name;identifier;SMILES;inchikey;MW;LogP;pubchem;drugbank;pdb;chEMBL;membrane;method;temperature;charge;note;X_min;X_min_acc;G_pen;G_pen_acc;G_wat;G_wat_acc;LogK;LogK_acc;LogPerm;LogPerm_acc;theta;theta_acc;abs_wl;abs_wl_acc;fluo_wl;fluo_wl_acc;QY;QY_acc;lt;lt_acc;primary_reference;secondary_reference
1,10-Decanediol;MM00001;OCCCCCCCCCCO;FOTKYAAJKYLFFN-UHFFFAOYSA-N;174.28;2.09;37153;;;;DMPC;CCM15;25;0;;1.115;;2.367;;4.082;;1.753;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Decanediol;MM00002;CCCCCCCCC(O)CO;YSRSBDQINUMTIF-UHFFFAOYSA-N;174.28;2.09;10888425;;;;DMPC;CCM15;25;0;;0.924;;2.914;;6.349;;3.566;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Hexanediol;MM00003;CCCCC(O)CO;FHKSXSQHXQEMOK-UHFFFAOYSA-N;118.18;0.53;94335;;;;DMPC;CCM15;25;0;;1.115;;3.62;;2.406;;0.996;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Octanediol;MM00004;CCCCCCC(O)CO;AEIJTFQOBWATKX-UHFFFAOYSA-N;146.23;1.31;14231;;;;DMPC;CCM15;25;0;;0.987;;3.114;;4.598;;2.448;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Decanediol;MM00005;CCCCCCCC(O)CCO;ANWMPOLHSRXCNH-UHFFFAOYSA-N;174.28;2.09;201483;;;;DMPC;CCM15;25;0;;1.051;;4.131;;5.483;;2.819;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Decanediol;MM00006;CCCCCCC(O)CCCO;GFICPCFLWFXIJC-UHFFFAOYSA-N;174.28;2.09;12485271;;;;DMPC;CCM15;25;0;;1.051;;3.703;;5.268;;2.663;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,5-Decanediol;MM00007;CCCCCC(O)CCCCO;BMHXYCAVLBMDOD-UHFFFAOYSA-N;174.28;2.09;11499301;;;;DMPC;CCM15;25;0;;1.051;;3.526;;5.04;;2.481;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Decanediol;MM00008;CCCCC(O)CCCCCO;WMTNCXUJZRJFHB-UHFFFAOYSA-N;174.28;2.09;11073917;;;;DMPC;CCM15;25;0;;1.051;;3.303;;4.731;;2.281;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DMPC;CCM15;25;0;;1.306;;4.268;;1.399;;0.204;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-Decanediol;MM00010;CCCC(O)CCCCCCO;QGNYXNXFYTZJHR-UHFFFAOYSA-N;174.28;2.09;22617082;;;;DMPC;CCM15;25;0;;1.051;;3.175;;4.568;;2.151;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Decanediol;MM00011;CCC(O)CCCCCCCO;GXNQEVBKQUQPGE-UHFFFAOYSA-N;174.28;2.09;17914602;;;;DMPC;CCM15;25;0;;1.051;;2.962;;4.376;;2.052;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Octanediol;MM00012;OCCCCCCCCO;OEIJHBUUFURJLI-UHFFFAOYSA-N;146.23;1.31;69420;;;;DMPC;CCM15;25;0;;1.178;;3.405;;2.653;;0.915;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,9-Decanediol;MM00013;CC(O)CCCCCCCCO;BRBMYNGGGPTKKL-UHFFFAOYSA-N;174.28;2.09;10910076;;;;DMPC;CCM15;25;0;;1.115;;2.818;;4.327;;1.843;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-(2-hydroxyethoxy)ethanol;MM00014;OCCOCCO;MTHSVFCYNBDYFN-UHFFFAOYSA-N;106.12;-1.01;8117;;;;DMPC;CCM15;25;0;;1.37;;3.012;;0.534;;-0.385;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,10-Decanediol;MM00001;OCCCCCCCCCCO;FOTKYAAJKYLFFN-UHFFFAOYSA-N;174.28;2.09;37153;;;;"SC mix";CCM15;25;0;;2.065;;3.724;;2.988;;1.51;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Decanediol;MM00002;CCCCCCCCC(O)CO;YSRSBDQINUMTIF-UHFFFAOYSA-N;174.28;2.09;10888425;;;;"SC mix";CCM15;25;0;;1.981;;3.682;;5.55;;3.38;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Hexanediol;MM00003;CCCCC(O)CO;FHKSXSQHXQEMOK-UHFFFAOYSA-N;118.18;0.53;94335;;;;"SC mix";CCM15;25;0;;2.234;;4.318;;2.288;;1.012;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Octanediol;MM00004;CCCCCCC(O)CO;AEIJTFQOBWATKX-UHFFFAOYSA-N;146.23;1.31;14231;;;;"SC mix";CCM15;25;0;;2.065;;3.672;;4.039;;2.296;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Decanediol;MM00005;CCCCCCCC(O)CCO;ANWMPOLHSRXCNH-UHFFFAOYSA-N;174.28;2.09;201483;;;;"SC mix";CCM15;25;0;;2.065;;5.236;;5.027;;2.908;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Decanediol;MM00006;CCCCCCC(O)CCCO;GFICPCFLWFXIJC-UHFFFAOYSA-N;174.28;2.09;12485271;;;;"SC mix";CCM15;25;0;;2.065;;4.738;;4.695;;2.693;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,5-Decanediol;MM00007;CCCCCC(O)CCCCO;BMHXYCAVLBMDOD-UHFFFAOYSA-N;174.28;2.09;11499301;;;;"SC mix";CCM15;25;0;;2.065;;4.234;;4.2;;2.38;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Decanediol;MM00008;CCCCC(O)CCCCCO;WMTNCXUJZRJFHB-UHFFFAOYSA-N;174.28;2.09;11073917;;;;"SC mix";CCM15;25;0;;2.065;;4.091;;3.95;;2.19;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;"SC mix";CCM15;25;0;;2.318;;4.871;;0.972;;0.043;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-Decanediol;MM00010;CCCC(O)CCCCCCO;QGNYXNXFYTZJHR-UHFFFAOYSA-N;174.28;2.09;22617082;;;;"SC mix";CCM15;25;0;;2.065;;3.772;;3.572;;1.937;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Decanediol;MM00011;CCC(O)CCCCCCCO;GXNQEVBKQUQPGE-UHFFFAOYSA-N;174.28;2.09;17914602;;;;"SC mix";CCM15;25;0;;2.065;;3.673;;3.467;;1.875;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Octanediol;MM00012;OCCCCCCCCO;OEIJHBUUFURJLI-UHFFFAOYSA-N;146.23;1.31;69420;;;;"SC mix";CCM15;25;0;;2.15;;4.25;;1.884;;0.705;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,9-Decanediol;MM00013;CC(O)CCCCCCCCO;BRBMYNGGGPTKKL-UHFFFAOYSA-N;174.28;2.09;10910076;;;;"SC mix";CCM15;25;0;;2.065;;3.647;;3.182;;1.604;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-(2-hydroxyethoxy)ethanol;MM00014;OCCOCCO;MTHSVFCYNBDYFN-UHFFFAOYSA-N;106.12;-1.01;8117;;;;"SC mix";CCM15;25;0;;2.403;;3.678;;0.628;;-0.292;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,10-Decanediol;MM00001;OCCCCCCCCCCO;FOTKYAAJKYLFFN-UHFFFAOYSA-N;174.28;2.09;37153;;;;DOPC;CCM15;25;0;;1.136;;2.105;;4.157;;1.682;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Decanediol;MM00002;CCCCCCCCC(O)CO;YSRSBDQINUMTIF-UHFFFAOYSA-N;174.28;2.09;10888425;;;;DOPC;CCM15;25;0;;0.98;;2.506;;6.182;;3.349;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Hexanediol;MM00003;CCCCC(O)CO;FHKSXSQHXQEMOK-UHFFFAOYSA-N;118.18;0.53;94335;;;;DOPC;CCM15;25;0;;1.21;;3.348;;2.428;;0.853;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Octanediol;MM00004;CCCCCCC(O)CO;AEIJTFQOBWATKX-UHFFFAOYSA-N;146.23;1.31;14231;;;;DOPC;CCM15;25;0;;1.063;;2.755;;4.51;;2.259;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Decanediol;MM00005;CCCCCCCC(O)CCO;ANWMPOLHSRXCNH-UHFFFAOYSA-N;174.28;2.09;201483;;;;DOPC;CCM15;25;0;;1.063;;3.955;;5.504;;2.704;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Decanediol;MM00006;CCCCCCC(O)CCCO;GFICPCFLWFXIJC-UHFFFAOYSA-N;174.28;2.09;12485271;;;;DOPC;CCM15;25;0;;1.063;;3.563;;5.318;;2.558;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,5-Decanediol;MM00007;CCCCCC(O)CCCCO;BMHXYCAVLBMDOD-UHFFFAOYSA-N;174.28;2.09;11499301;;;;DOPC;CCM15;25;0;;1.063;;3.337;;5.076;;2.373;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Decanediol;MM00008;CCCCC(O)CCCCCO;WMTNCXUJZRJFHB-UHFFFAOYSA-N;174.28;2.09;11073917;;;;DOPC;CCM15;25;0;;1.136;;3.15;;4.815;;2.199;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DOPC;CCM15;25;0;;1.356;;4.071;;1.507;;0.115;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-Decanediol;MM00010;CCCC(O)CCCCCCO;QGNYXNXFYTZJHR-UHFFFAOYSA-N;174.28;2.09;22617082;;;;DOPC;CCM15;25;0;;1.136;;2.995;;4.615;;2.048;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Decanediol;MM00011;CCC(O)CCCCCCCO;GXNQEVBKQUQPGE-UHFFFAOYSA-N;174.28;2.09;17914602;;;;DOPC;CCM15;25;0;;1.136;;2.81;;4.466;;1.966;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Octanediol;MM00012;OCCCCCCCCO;OEIJHBUUFURJLI-UHFFFAOYSA-N;146.23;1.31;69420;;;;DOPC;CCM15;25;0;;1.21;;3.124;;2.75;;0.84;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,9-Decanediol;MM00013;CC(O)CCCCCCCCO;BRBMYNGGGPTKKL-UHFFFAOYSA-N;174.28;2.09;10910076;;;;DOPC;CCM15;25;0;;1.136;;2.607;;4.37;;1.744;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-(2-hydroxyethoxy)ethanol;MM00014;OCCOCCO;MTHSVFCYNBDYFN-UHFFFAOYSA-N;106.12;-1.01;8117;;;;DOPC;CCM15;25;0;;1.43;;2.91;;0.673;;-0.519;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Methylxanthine;MM00015;Cn1c(=O)[nH]c2nc[nH]c2c1=O;MVOYJPOZRLFTCP-UHFFFAOYSA-N;166.14;-1.05;80220;;;;DOPC;CCM15;25;0;;1.723;;8.449;;0.609;;-0.392;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Naphtaldehyde;MM00016;O=Cc1cccc2ccccc12;SQAINHDHICKHLX-UHFFFAOYSA-N;156.18;2.65;6195;;;;DOPC;CCM15;25;0;;0.843;;0.563;;5.186;;3.061;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Pyrimidinylpiperazine;MM00017;c1cnc(N2CCNCC2)nc1;MRBFGEHILMYPTF-UHFFFAOYSA-N;164.21;-0.11;88747;;;;DOPC;CCM15;25;0;;1.063;;2.231;;3.183;;1.239;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
10-alpha-Methoxy-9,10-dihydrolysergol;MM00018;COC12C[C@@H](CO)CN(C)C1Cc1c[nH]c3cccc2c13;JGQZSBLQHCTAJF-NFXPUDJFSA-N;286.38;1.88;131770002;;;;DOPC;CCM15;25;0;;1.136;;3.742;;3.3;;1.382;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxydesipramine;MM00019;CNCCCN1c2ccccc2CCc2cc(O)ccc21;NVJBOLMRGMDGLD-UHFFFAOYSA-N;282.39;3.24;121249;;;;DOPC;CCM15;25;0;;0.99;;3.902;;7.163;;4.014;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxymexiletine;MM00020;Cc1cc(O)cc(C)c1OCC(C)N;YWOSWRCXWBDSRQ-UHFFFAOYSA-N;195.26;1.74;93285;DBMET00259;;;DOPC;CCM15;25;0;;1.136;;4.078;;3.572;;1.434;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Hydroxycarbamazepine;MM00021;NC(=O)N1c2ccccc2C=Cc2ccc(O)cc21;QQCFBZCATDIWTH-UHFFFAOYSA-N;252.27;3.09;135290;;;;DOPC;CCM15;25;0;;1.21;;6.153;;3.545;;1.84;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Octyl-2-Pyrrolidone;MM00022;CCCCCCCCN1CCCC1=O;WPPOGHDFAVQKLN-UHFFFAOYSA-N;197.32;2.97;3033871;;;;"SC mix";CCM15;25;0;;1.728;;2.737;;;;4.484;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Isopropoxyethanol;MM00023;CC(C)OCCO;HCGFUIQPSOCUHI-UHFFFAOYSA-N;104.15;0.4;7996;;;;"SC mix";CCM15;25;0;;2.15;;1.746;;;;0.628;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butoxyethanol;MM00024;CCCCOCCO;POAOYUHQDCAZBD-UHFFFAOYSA-N;118.18;0.8;8133;;;;"SC mix";CCM15;25;0;;1.981;;1.349;;;;1.935;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthylamine;MM00025;Nc1ccc2ccccc2c1;JBIJLHTVPXGSAM-UHFFFAOYSA-N;143.19;2.42;7057;;;CHEMBL278164;"SC mix";CCM15;25;0;;1.897;;1.285;;1.11;;2.415;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenoxyethanol;MM00026;OCCOc1ccccc1;QCDWFXQBSFUVSP-UHFFFAOYSA-N;138.17;1.06;31236;DB11304;268;CHEMBL1229846;"SC mix";CCM15;25;0;;2.065;;2.098;;3.355;;1.812;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromoform;MM00027;BrC(Br)Br;DIKBFYAXUHHXCS-UHFFFAOYSA-N;252.73;2.45;5558;DB03054;MBR;CHEMBL345248;"SC mix";CCM15;25;0;;1.897;;0.298;;3.876;;2.69;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl 4-hydroxybenzoate";MM00029;CCCCOC(=O)c1ccc(O)cc1;QFOHBWFCKVYLES-UHFFFAOYSA-N;194.23;2.35;7184;;;;"SC mix";CCM15;25;0;;1.897;;3.7;;4.683;;2.761;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2,2-trichloroethane-1,1-diol;MM00031;OC(O)C(Cl)(Cl)Cl;RNFNDJAIBTYOQL-UHFFFAOYSA-N;165.4;0.67;2707;DB01563;;CHEMBL455917;"SC mix";CCM15;25;0;;2.234;;4.578;;1.552;;0.482;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;"SC mix";CCM15;25;0;;2.234;;4.773;;0.811;;0.073;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-chloroacetonitrile;MM00033;N#CCCl;RENMDAKOXSCIGH-UHFFFAOYSA-N;75.5;0.75;7856;;;;"SC mix";CCM15;25;0;;2.15;;1.373;;1.386;;0.631;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dibromo(chloro)methane;MM00034;ClC(Br)Br;GATVIKZLVQHOMN-UHFFFAOYSA-N;208.28;2.3;31296;;;;"SC mix";CCM15;25;0;;1.812;;0.225;;3.841;;2.69;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid";MM00035;CC1=C2C(=COC(C)C2C)C(=O)C(C(=O)O)=C1O;CBGDIJWINPWWJW-UHFFFAOYSA-N;250.25;1.72;54680783;;;;"SC mix";CCM15;25;0;;1.897;;1.14;;4.496;;2.774;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;"SC mix";CCM15;25;0;;2.15;;3.378;;3.53;;1.575;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;"SC mix";CCM15;25;0;;2.065;;2.817;;4.635;;2.289;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione;MM00038;CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O;WTYGAUXICFETTC-UHFFFAOYSA-N;236.27;1.25;5838;;;;"SC mix";CCM15;25;0;;2.234;;10.316;;3.765;;1.859;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate";MM00269;CNC(=O)Oc1cc(C)c(SC)c(C)c1;YFBPRJGDJKVWAH-UHFFFAOYSA-N;225.31;2.74;16248;;;;DOPC;CCM15;0;0;;0.916;;1.446;;6.249;;3.532;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;DOPC;CCM15;0;0;;1.723;;12.281;;3.855;;1.34;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-hydroxyphenylacetate";MM00271;COC(=O)Cc1ccc(O)cc1;XGDZEDRBLVIUMX-UHFFFAOYSA-N;166.18;1.11;518900;;;;DOPC;CCM15;0;0;;1.136;;2.954;;3.24;;1.692;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-aminobenzoate";MM00272;COC(=O)c1ccc(N)cc1;LZXXNPOYQCLXRS-UHFFFAOYSA-N;151.17;1.06;12082;;;;DOPC;CCM15;0;0;;1.136;;1.9;;2.608;;1.302;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-hydroxybenzoate";MM00273;COC(=O)c1ccc(O)cc1;LXCFILQKKLGQFO-UHFFFAOYSA-N;152.15;1.18;7456;;;;DOPC;CCM15;0;0;;1.136;;3.108;;3.144;;1.665;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Salicylate";MM00274;COC(=O)c1ccccc1O;OSWPMRLSEDHDFF-UHFFFAOYSA-N;152.15;1.18;4133;DB09543;;CHEMBL108545;DOPC;CCM15;0;0;;0.843;;0.3;;4.592;;2.841;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;DOPC;CCM15;0;0;;0.99;;1.643;;6.635;;3.318;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-Nitrosodiethanolamine;MM00276;O=NN(CCO)CCO;YFCDLVPYFMHRQZ-UHFFFAOYSA-N;134.14;-1.05;14223;;;;DOPC;CCM15;0;0;;3.629;;6.077;;0.41;;-0.704;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;DOPC;CCM15;0;0;;1.136;;3.243;;4.984;;2.275;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;DOPC;CCM15;0;0;;0.99;;2.293;;8.684;;4.519;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-nitro-2-phenoxymethanesulfonanilide;MM00279;CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1;HYWYRSMBCFDLJT-UHFFFAOYSA-N;308.32;2.76;4495;DB04743;NIM;CHEMBL56367;DOPC;CCM15;0;0;;1.136;;2.291;;5.425;;3.143;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nitrobenzene;MM00136;O=[N+]([O-])c1ccccc1;LQNUZADURLCDLV-UHFFFAOYSA-N;123.11;1.59;7416;;;;DOPC;CCM15;0;0;;0.843;;0.368;;3.784;;2.384;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nizatidine;MM00084;CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1;SGXXNSQHWDMGGP-UHFFFAOYSA-N;331.47;1.32;3033637;DB00585;;CHEMBL3183075;DOPC;CCM15;0;0;;1.136;;2.845;;4.646;;1.831;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;DOPC;CCM15;0;0;;0.843;;1.463;;8.743;;5.071;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methylphenol;MM01283;Cc1ccccc1O;QWVGKYWNOKOFNN-UHFFFAOYSA-N;108.14;1.7;335;;;;DOPC;CCM15;0;0;;1.063;;1.84;;3.52;;2.017;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Phenylenediamine;MM00282;Nc1ccccc1N;GEYOCULIXLDCMW-UHFFFAOYSA-N;108.14;0.85;7243;;;;DOPC;CCM15;0;0;;1.283;;2.113;;1.08;;0.421;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-tert-butylphenol;MM00213;CC(C)(C)c1ccccc1O;WJQOZHYUIDYNHM-UHFFFAOYSA-N;150.22;2.69;6923;;;;DOPC;CCM15;25;0;;0.843;;0.315;;5.575;;3.577;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-toluidine;MM00284;Cc1ccccc1N;RNVCVTLRINQCPJ-UHFFFAOYSA-N;107.16;1.58;7242;;;;DOPC;CCM15;0;0;;0.99;;0.653;;3.231;;1.95;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Tolunitrile;MM00285;Cc1ccccc1C#N;NWPNXBQSRGKSJB-UHFFFAOYSA-N;117.15;1.87;10721;;;;DOPC;CCM15;0;0;;0.843;;0.389;;4.415;;2.596;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ochratoxin A";MM00286;CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1;RWQKHEORZBHNRI-UHFFFAOYSA-N;403.82;2.57;442530;;;;DOPC;CCM15;0;0;;1.136;;3.718;;6.757;;3.698;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octyl 4-hydroxybenzoate";MM00287;CCCCCCCCOC(=O)c1ccc(O)cc1;RIKCMEDSBFQFAL-UHFFFAOYSA-N;250.34;3.91;14642;;;;DOPC;CCM15;0;0;;0.843;;1.984;;9.056;;5.514;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Oleic Acid";MM00288;CCCCCCCC/C=C/CCCCCCCC(=O)O;ZQPPMHVWECSIRJ-MDZDMXLPSA-N;282.47;6.11;637517;DB04224;ELA;CHEMBL460657;DOPC;CCM15;0;0;;0.623;;0.905;;13.367;;8.247;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;DOPC;CCM15;0;0;;0.99;;1.322;;6.625;;3.43;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
P-Cresol;MM00290;Cc1ccc(O)cc1;IWDCLRJOBJJRNH-UHFFFAOYSA-N;108.14;1.7;2879;DB01688;PCR;CHEMBL16645;DOPC;CCM15;0;0;;1.063;;2.366;;3.649;;2.102;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
P-Phenylenediamine;MM00291;Nc1ccc(N)cc1;CBCKQZAAMUWICA-UHFFFAOYSA-N;108.14;0.85;7814;;;;DOPC;CCM15;0;0;;1.356;;2.024;;0.726;;0.188;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-n-butylphenol;MM00155;CCCCc1ccc(O)cc1;CYYZDBDROVLTJU-UHFFFAOYSA-N;150.22;2.73;15420;;;;DOPC;CCM15;25;0;;0.916;;1.991;;5.86;;3.613;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;MM00293;CC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)n1cncn1;RMOGWMIKYWRTKW-KGLIPLIRSA-N;293.8;3.12;158076;;;;DOPC;CCM15;0;0;;0.99;;1.175;;6.729;;3.442;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,3,5-triol;MM00294;Oc1cc(O)cc(O)c1;QCDYQQDYXPDABM-UHFFFAOYSA-N;126.11;0.8;359;DB12944;13X;CHEMBL473159;DOPC;CCM15;0;0;;2.089;;8.885;;1.414;;0.728;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Physostigmine;MM00295;CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C;PIJVFDBKTWXHHD-HIFRSBDPSA-N;275.35;1.77;5983;DB00981;;CHEMBL94;DOPC;CCM15;0;0;;0.99;;2.75;;4.889;;2.257;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate";MM00296;Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C;YFGYUFNIOHWBOB-UHFFFAOYSA-N;238.29;1.22;31645;;;;DOPC;CCM15;0;0;;0.916;;1.43;;5.897;;2.754;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;DOPC;CCM15;0;0;;1.283;;4.336;;4.808;;1.242;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pregnenolone;MM00298;CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C;ORNBQBCIOKFOEO-QGVNFLHTSA-N;316.49;4.52;8955;DB02789;PLO;CHEMBL253363;DOPC;CCM15;0;0;;0.916;;1.493;;7.719;;3.609;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propyl 4-hydroxybenzoate";MM00299;CCCOC(=O)c1ccc(O)cc1;QELSKZZBTMNZEB-UHFFFAOYSA-N;180.2;1.96;7175;;;;DOPC;CCM15;0;0;;0.99;;2.758;;4.801;;2.71;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,2,3-triol;MM00300;Oc1cccc(O)c1O;WQGWDDDVZFFDIG-UHFFFAOYSA-N;126.11;0.8;1057;;;;DOPC;CCM15;0;0;;1.356;;4.885;;1.985;;1.071;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;DOPC;CCM15;0;0;;1.063;;2.886;;5.125;;3.137;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Raffinose;MM00301;OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O;MUPFEKGTMRGPLJ-ZQSKZDJDSA-N;504.44;-7.57;439242;;;;DOPC;CCM15;0;0;;3.629;;17.625;;1.951;;-5.477;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;DOPC;CCM15;0;0;;0.99;;1.198;;5.836;;3.047;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate";MM00303;O=C1c2ccccc2OCN1CCO[N+](=O)[O-];POVFCWQCRHXYAB-UHFFFAOYSA-N;238.2;0.69;121985;;;;DOPC;CCM15;0;0;;1.063;;1.203;;4.79;;2.619;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;DOPC;CCM15;0;0;;0.843;;1.192;;10.418;;5.392;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;DOPC;CCM15;0;0;;1.063;;2.559;;4.061;;2.215;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;DOPC;CCM15;0;0;;1.283;;6.563;;2.668;;1.343;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DOPC;CCM15;0;0;;1.43;;5.24;;1.433;;-0.02;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;DOPC;CCM15;0;0;;1.43;;5.03;;3.556;;0.676;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Triamcinolone Acetonide";MM00308;CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1;YNDXUCZADRHECN-UHFFFAOYSA-N;434.5;2.42;6436;;;;DOPC;CCM15;0;0;;1.283;;2.936;;4.579;;0.995;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Trichloroacetic Acid";MM00309;O=C(O)C(Cl)(Cl)Cl;YNJBWRMUSHSURL-UHFFFAOYSA-N;163.39;1.44;6421;DB11152;;;DOPC;CCM15;0;0;;1.063;;2.749;;3.927;;2.314;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triclosan;MM00310;Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl;XEFQLINVKFYRCS-UHFFFAOYSA-N;289.55;5.14;5564;DB08604;TCL;CHEMBL849;DOPC;CCM15;0;0;;0.843;;1.17;;8.101;;5.114;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Valsartan;MM00311;CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C;ACWBQPMHZXGDFX-UHFFFAOYSA-N;435.53;4.16;60846;DB00177;;CHEMBL1069;DOPC;CCM15;0;0;;1.063;;3.825;;7.182;;3.466;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(R)-Ibuprofen;MM00051;CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1;HEFNNWSXXWATRW-SNVBAGLBSA-N;206.29;3.07;114864;;;;DOPC;CCM15;25;0;;0.99;;2.314;;6.706;;3.98;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(S)-Ibuprofen;MM00052;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;39912;DB09213;IBP;CHEMBL175;DOPC;CCM15;25;0;;0.99;;2.3;;6.725;;3.996;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zearalenone;MM00312;C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1;MBMQEIFVQACCCH-QBODLPLBSA-N;318.37;3.58;5281576;;;;DOPC;CCM15;0;0;;1.136;;3.445;;4.419;;2.255;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methoxime;MM00776;O=[NH+]C=C1C=CN(CN2C=CC(=C[NH+]=O)C=C2)C=C1;CMMIGIRGSXYBDN-UHFFFAOYSA-P;258.28;-0.91;5489503;;;;DOPC;MDUSBG56;50;2;;;;;;;;;;-16.29;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Asoxime;MM00777;"NC(=O)c1cc[n+](COCN2C=CC=C/C2=C\[NH+]=O)cc1";FJZDLOMCEPUCII-UKTHLTGXSA-P;288.31;-0.92;"6020697  ";;;;DOPC;MDUSBG56;50;2;;;;;;;;;;-11.16;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
[(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium;MM00778;CN1C=CC=CC1=C[NH+]=O;JBKPUQTUERUYQE-UHFFFAOYSA-O;137.16;-0.31;5353894;DB00733;;CHEMBL1420;DOPC;MDUSBG56;50;1;;;;;;;;;;-6.77;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DOPC;MDUSBG56;50;0;;;;;;;;;;-0.02;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;DOPC;MDUSBG56;50;0;;;;;;;;;;1.37;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;DOPC;MDUSBG56;50;0;;;;;;;;;;3.26;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate";MM00779;CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2;RKUNBYITZUJHSG-UHFFFAOYSA-N;289.38;1.93;174174;DB00572;OIN;CHEMBL517712;DOPC;MDUSBG56;50;1;;;;;;;;;;1.82;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;DOPC;MDUSBG56;50;0;;;;;;;;;;1.99;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;DOPC;MDUSBG56;50;0;;;;;;;;;;3.31;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Methoxime;MM00776;O=[NH+]C=C1C=CN(CN2C=CC(=C[NH+]=O)C=C2)C=C1;CMMIGIRGSXYBDN-UHFFFAOYSA-P;258.28;-0.91;5489503;;;;DOPC;EPAM;25;2;;;;;;;;;;-9.25;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
[(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium;MM00778;CN1C=CC=CC1=C[NH+]=O;JBKPUQTUERUYQE-UHFFFAOYSA-O;137.16;-0.31;5353894;DB00733;;CHEMBL1420;DOPC;EPAM;25;1;;;;;;;;;;-7.52;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DOPC;EPAM;25;0;;;;;;;;;;-5.91;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;DOPC;EPAM;25;0;;;;;;;;;;-5.4;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;DOPC;EPAM;25;0;;;;;;;;;;-5.26;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate";MM00779;CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2;RKUNBYITZUJHSG-UHFFFAOYSA-N;289.38;1.93;174174;DB00572;OIN;CHEMBL517712;DOPC;EPAM;25;1;;;;;;;;;;-5.26;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;DOPC;EPAM;25;0;;;;;;;;;;-4.94;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;DOPC;EPAM;25;0;;;;;;;;;;-4.88;;;;;;;;;;;;"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017";"Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017"
1-hexyl-2-pyrrolidone;MM00781;CCCCCCN1CCCC1=O;BAWUFGWWCWMUNU-UHFFFAOYSA-N;169.27;2.19;78555;;;;DMPC;CCM15;25;0;;0.86;;1.583;;6.411;;3.386;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methoxy-2-propanol;MM00782;COCC(C)O;ARXJGSRGQADJSQ-UHFFFAOYSA-N;90.12;0.01;7900;;;;DMPC;CCM15;25;0;;1.115;;1.661;;1.605;;0.593;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Octyl-2-Pyrrolidone;MM00022;CCCCCCCCN1CCCC1=O;WPPOGHDFAVQKLN-UHFFFAOYSA-N;197.32;2.97;3033871;;;;DMPC;CCM15;25;0;;0.796;;1.44;;8.103;;4.43;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
17-Hydroxyprogesterone;MM00783;CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C;DBPWSSGDRRHUNT-CEGNMAFCSA-N;330.47;3.84;6238;;;;DMPC;CCM15;25;0;;0.924;;1.163;;6.779;;2.942;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1-dichloropropanone;MM00785;CC(=O)C(Cl)Cl;CSVFWMMPUJDVKH-UHFFFAOYSA-N;126.97;1.38;10567;;;;DMPC;CCM15;25;0;;1.051;;0.771;;2.711;;1.724;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,1-Trichloroethane;MM00786;CC(Cl)(Cl)Cl;UOCLXMDMGBRAIB-UHFFFAOYSA-N;133.41;2.38;6278;;;;DMPC;CCM15;25;0;;0.669;;0.127;;4.875;;3.278;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,1-trichloropropanone;MM00787;CC(=O)C(Cl)(Cl)Cl;SMZHKGXSEAGRTI-UHFFFAOYSA-N;161.42;1.95;13514;;;;DMPC;CCM15;25;0;;0.733;;0.253;;4.574;;3.035;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2,4-Benzenetriol;MM00992;Oc1ccc(O)c(O)c1;GGNQRNBDZQJCCN-UHFFFAOYSA-N;126.11;0.8;10787;;;;DMPC;CCM15;25;0;;2.07;;7.355;;1.544;;0.823;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Acetylaminofluorene;MM00789;CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2;CZIHNRWJTSTCEX-UHFFFAOYSA-N;223.28;3.22;5897;;;;DMPC;CCM15;25;0;;0.987;;2.788;;5.714;;3.26;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Amino-4-Nitrophenol;MM00790;Nc1cc([N+](=O)[O-])ccc1O;VLZVIIYRNMWPSN-UHFFFAOYSA-N;154.13;0.88;3613389;;;;DMPC;CCM15;25;0;;1.306;;5.35;;1.984;;1.231;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butanone;MM00791;CCC(C)=O;ZWEHNKRNPOVVGH-UHFFFAOYSA-N;72.11;0.99;6569;;;;DMPC;CCM15;25;0;;0.924;;0.704;;2.379;;1.346;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Chlorophenol;MM00219;Oc1ccccc1Cl;ISPYQTSUDJAMAB-UHFFFAOYSA-N;128.56;2.05;7245;DB03110;2CH;CHEMBL108877;DMPC;CCM15;25;0;;0.987;;1.08;;3.712;;2.335;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Ethoxyethanol;MM00792;CCOCCO;ZNQVEEAIQZEUHB-UHFFFAOYSA-N;90.12;0.02;8076;DB02249;ETX;CHEMBL119596;DMPC;CCM15;25;0;;1.115;;1.523;;1.5;;0.499;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Isopropoxyethanol;MM00023;CC(C)OCCO;HCGFUIQPSOCUHI-UHFFFAOYSA-N;104.15;0.4;7996;;;;DMPC;CCM15;25;0;;1.115;;1.549;;1.818;;0.643;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthol;MM00793;Oc1ccc2ccccc2c1;JWAZRIHNYRIHIV-UHFFFAOYSA-N;144.17;2.55;8663;;;CHEMBL14126;DMPC;CCM15;25;0;;0.987;;2.7;;4.472;;2.722;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenylethanol;MM00794;OCCc1ccccc1;WRMNZCZEMHIOCP-UHFFFAOYSA-N;122.17;1.22;6054;DB02192;PEL;CHEMBL448500;DMPC;CCM15;25;0;;0.987;;1.45;;3.465;;1.964;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(2-Butoxyethoxy)ethyl Acetate";MM00795;CCCCOCCOCCOC(C)=O;VXQBJTKSVGFQOL-UHFFFAOYSA-N;204.27;1.38;31288;;;;DMPC;CCM15;25;0;;0.924;;1.277;;5.049;;2.467;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butoxyethanol;MM00024;CCCCOCCO;POAOYUHQDCAZBD-UHFFFAOYSA-N;118.18;0.8;8133;;;;DMPC;CCM15;25;0;;0.924;;1.045;;3.73;;1.925;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthylamine;MM00025;Nc1ccc2ccccc2c1;JBIJLHTVPXGSAM-UHFFFAOYSA-N;143.19;2.42;7057;;;CHEMBL278164;DMPC;CCM15;25;0;;0.987;;1.149;;4.254;;2.617;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Nitro-P-phenylenediamine;MM00797;Nc1cccc([N+](=O)[O-])c1N;IOCXBXZBNOYTLQ-UHFFFAOYSA-N;153.14;0.76;4359525;;;;DMPC;CCM15;25;0;;1.306;;2.697;;1.395;;0.874;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenoxyethanol;MM00026;OCCOc1ccccc1;QCDWFXQBSFUVSP-UHFFFAOYSA-N;138.17;1.06;31236;DB11304;268;CHEMBL1229846;DMPC;CCM15;25;0;;1.051;;1.827;;3.443;;1.916;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-butanediol;MM00798;CC(O)C(C)O;OWBTYPJTUOEWEK-UHFFFAOYSA-N;90.12;-0.25;262;;;;DMPC;CCM15;25;0;;1.242;;3.986;;0.7;;-0.067;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dichloroacetophenone;MM00799;CC(=O)c1ccc(Cl)cc1Cl;XMCRWEBERCXJCH-UHFFFAOYSA-N;189.04;3.2;16693;;;;DMPC;CCM15;25;0;;0.796;;0.374;;5.43;;3.617;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dichlorophenol;MM00800;Oc1ccc(Cl)cc1Cl;HFZWRUODUSTPEG-UHFFFAOYSA-N;163;2.7;8449;;;;DMPC;CCM15;25;0;;0.86;;0.649;;4.945;;3.259;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dinitrochlorobenzene;MM00801;O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1;VYZAHLCBVHPDDF-UHFFFAOYSA-N;202.55;2.16;6;DB11831;;CHEMBL292687;DMPC;CCM15;25;0;;1.051;;0.64;;4.29;;2.872;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4,6-trichlorophenol;MM00224;Oc1c(Cl)cc(Cl)cc1Cl;LINPIYWFGCPVIE-UHFFFAOYSA-N;197.45;3.35;6914;;;CHEMBL309917;DMPC;CCM15;25;0;;0.796;;0.602;;5.783;;3.849;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4'-Dichloroacetophenone;MM00803;O=C(CCl)c1ccc(Cl)cc1;FWDFNLVLIXAOMX-UHFFFAOYSA-N;189.04;2.76;70298;;;;DMPC;CCM15;25;0;;0.924;;0.656;;4.715;;2.957;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,5-Diaminotoluene;MM00804;Cc1cc(N)ccc1N;OBCSAIDCZQSFQH-UHFFFAOYSA-N;122.17;1.16;7252;;;;DMPC;CCM15;25;0;;1.178;;1.983;;1.462;;0.672;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Nitrophenol;MM00225;O=[N+]([O-])c1cccc(O)c1;RTZZCYNQPHTPPL-UHFFFAOYSA-N;139.11;1.3;11137;;;;DMPC;CCM15;25;0;;1.178;;3.757;;2.991;;1.792;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(3-Methoxypropoxy)propan-1-ol;MM00805;COCCCOCCCO;QCAHUFWKIQLBNB-UHFFFAOYSA-N;148.2;0.42;66984;;;;DMPC;CCM15;25;0;;1.115;;3.143;;2.56;;0.838;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3,4-Xylenol;MM00806;Cc1ccc(O)cc1C;YCOXTKKNXUZSKD-UHFFFAOYSA-N;122.17;2.01;7249;DB04052;2MP;CHEMBL192008;DMPC;CCM15;25;0;;0.987;;2.411;;4.149;;2.501;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Amino-3-Nitrophenol;MM00808;Nc1ccc(O)cc1[N+](=O)[O-];IQXUIDYRTHQTET-UHFFFAOYSA-N;154.13;0.88;3758882;;;;DMPC;CCM15;25;0;;1.879;;4.732;;1.848;;1.159;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Aminophenol;MM00809;Nc1ccc(O)cc1;PLIKAWJENQZMHA-UHFFFAOYSA-N;109.13;0.97;403;;;;DMPC;CCM15;25;0;;1.306;;3.787;;1.171;;0.636;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-bromophenol;MM00158;Oc1ccc(Br)cc1;GZFGOTFRPZRKDS-UHFFFAOYSA-N;173.01;2.15;7808;;;CHEMBL57284;DMPC;CCM15;25;0;;1.051;;2.944;;3.753;;2.273;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-BromophenylIsocyanate;MM00810;O=C=Nc1ccc(Br)cc1;CZQIJQFTRGDODI-UHFFFAOYSA-N;198.02;2.42;75609;;;;DMPC;CCM15;25;0;;0.669;;0.148;;6.172;;4.051;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Chloroaniline;MM00811;Nc1ccc(Cl)cc1;QSNSCYSYFYORTR-UHFFFAOYSA-N;127.57;1.92;7812;;;;DMPC;CCM15;25;0;;1.051;;1.235;;3.486;;2.143;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Chlorobutyric Acid";MM00812;O=C(O)CCCCl;IPLKGJHGWCVSOG-UHFFFAOYSA-N;122.55;1.09;12300;;;;DMPC;CCM15;25;0;;1.178;;3.179;;2.479;;1.432;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Chlorocresol;MM00813;Cc1cc(O)ccc1Cl;CFKMVGJGLGKFKI-UHFFFAOYSA-N;142.59;2.35;1732;;;;DMPC;CCM15;25;0;;0.987;;2.102;;4.362;;2.697;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chlorophenol;MM00157;Oc1ccc(Cl)cc1;WXNZTHHGJRFXKQ-UHFFFAOYSA-N;128.56;2.05;4684;DB13154;4CH;CHEMBL57053;DMPC;CCM15;25;0;;1.051;;2.948;;3.745;;2.257;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Ethylphenol;MM00153;CCc1ccc(O)cc1;HXDOZKJGKXYMEW-UHFFFAOYSA-N;122.17;1.95;31242;;;CHEMBL108475;DMPC;CCM15;25;0;;0.987;;2.535;;4.201;;2.554;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylvaleric Acid";MM00814;CC(C)CCC(=O)O;FGKJLKRYENPLQH-UHFFFAOYSA-N;116.16;1.51;12587;DB03993;4MV;CHEMBL1230308;DMPC;CCM15;25;0;;0.987;;2.898;;3.712;;2.175;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Nitro-o-Phenylenediamine;MM00818;Nc1ccc([N+](=O)[O-])cc1N;RAUWPNXIALNKQM-UHFFFAOYSA-N;153.14;0.76;5111791;;;;DMPC;CCM15;25;0;;1.879;;4.88;;1.748;;0.94;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Nitrophenol;MM00819;O=[N+]([O-])c1ccc(O)cc1;BTJIUGUIPKRLHP-UHFFFAOYSA-N;139.11;1.3;980;DB04417;NPO;CHEMBL14130;DMPC;CCM15;25;0;;1.178;;4.027;;2.812;;1.672;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Tolunitrile;MM00820;Cc1ccc(C#N)cc1;VCZNNAKNUVJVGX-UHFFFAOYSA-N;117.15;1.87;7724;;;;DMPC;CCM15;25;0;;0.86;;0.551;;4.365;;2.725;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-amino-2-nitrophenol;MM00821;Nc1ccc(O)c([N+](=O)[O-])c1;WHODQVWERNSQEO-UHFFFAOYSA-N;154.13;0.88;3417419;;;;DMPC;CCM15;25;0;;1.178;;1.838;;2.359;;1.404;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-m-phenylenediamine;MM00822;Nc1ccc(Cl)c(N)c1;ZWUBBMDHSZDNTA-UHFFFAOYSA-N;142.59;1.5;21209;;;;DMPC;CCM15;25;0;;1.178;;2.066;;2.163;;1.187;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-o-phenylenediamine;MM00823;Nc1ccc(Cl)cc1N;BXIXXXYDDJVHDL-UHFFFAOYSA-N;142.59;1.5;7263;;;;DMPC;CCM15;25;0;;1.178;;2.775;;2.227;;1.189;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-cyanophenol;MM00231;N#Cc1ccc(O)cc1;CVNOWLNNPYYEOH-UHFFFAOYSA-N;119.12;1.26;13019;;;;DMPC;CCM15;25;0;;1.178;;3.938;;2.483;;1.455;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-hydroxybenzyl Alcohol";MM00824;OCc1ccc(O)cc1;BVJSUAQZOZWCKN-UHFFFAOYSA-N;124.14;0.88;125;;;;DMPC;CCM15;25;0;;1.306;;5.358;;1.393;;0.687;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxyphenylacetamide;MM00825;NC(=O)Cc1ccc(O)cc1;YBPAYPRLUDCSEY-UHFFFAOYSA-N;151.17;0.42;86986;;;;DMPC;CCM15;25;0;;1.37;;6.548;;1.057;;0.446;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-hydroxyphenylacetic Acid";MM00826;O=C(O)Cc1ccc(O)cc1;XQXPVVBIMDBYFF-UHFFFAOYSA-N;152.15;1.02;127;;;;DMPC;CCM15;25;0;;1.306;;5.703;;2.018;;1.127;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-propoxyphenol;MM00827;CCCOc1ccc(O)cc1;KIIIPQXXLVCCQP-UHFFFAOYSA-N;152.19;2.18;29352;;;;DMPC;CCM15;25;0;;0.924;;2.439;;4.634;;2.836;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4,4'-methylenedianiline;MM00828;Nc1ccc(Cc2ccc(N)cc2)cc1;YBRVSVVVWCFQMG-UHFFFAOYSA-N;198.27;2.44;7577;;;;DMPC;CCM15;25;0;;1.051;;1.794;;3.717;;2.162;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-Fluorouracil;MM00829;O=c1[nH]cc(F)c(=O)[nH]1;GHASVSINZRGABV-UHFFFAOYSA-N;130.08;-0.8;3385;DB00544;URF;CHEMBL185;DMPC;CCM15;25;0;;1.943;;9.222;;1.016;;0.395;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;DMPC;CCM15;25;0;;1.561;;6.547;;0.528;;-0.047;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Methylcoumarin;MM00830;Cc1ccc2oc(=O)ccc2c1;FXFYOPQLGGEACP-UHFFFAOYSA-N;160.17;2.1;7092;;;;DMPC;CCM15;25;0;;0.86;;1.099;;4.726;;2.779;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-ethoxycoumarin;MM00831;CCOc1ccc2ccc(=O)oc2c1;LIFAQMGORKPVDH-UHFFFAOYSA-N;190.2;2.19;35703;;;;DMPC;CCM15;25;0;;0.86;;1.132;;5.329;;3.188;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-phenylethanone;MM00832;CC(=O)c1ccccc1;KWOLFJPFCHCOCG-UHFFFAOYSA-N;120.15;1.89;7410;DB04619;AC0;CHEMBL274467;DMPC;CCM15;25;0;;0.86;;0.831;;3.885;;2.268;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DMPC;CCM15;25;0;;1.115;;3.53;;3.172;;1.754;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;DMPC;CCM15;25;0;;1.306;;3.225;;4.471;;1.122;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;MM00833;CCC1(CCC(C)C)C(=O)NC(=O)NC1=O;VIROVYVQCGLCII-UHFFFAOYSA-N;226.28;1.19;2164;DB01351;;CHEMBL267894;DMPC;CCM15;25;0;;1.242;;6.609;;3.379;;1.571;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;DMPC;CCM15;25;0;;1.051;;1.061;;2.657;;1.594;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Anisole;MM00834;COc1ccccc1;RDOXTESZEPMUJZ-UHFFFAOYSA-N;108.14;1.7;7519;;;;DMPC;CCM15;25;0;;0.796;;0.244;;4.624;;3.006;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;DMPC;CCM15;25;0;;1.943;;7.127;;1.258;;0.509;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate";MM00779;CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2;RKUNBYITZUJHSG-UHFFFAOYSA-N;289.38;1.93;174174;DB00572;OIN;CHEMBL517712;DMPC;CCM15;25;0;;1.051;;2.408;;5.327;;2.473;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5,5-diethyl-1,3-diazinane-2,4,6-trione;MM00836;CCC1(CC)C(=O)NC(=O)NC1=O;FTOAOBMCPZCFFF-UHFFFAOYSA-N;184.2;0.16;2294;DB01483;;CHEMBL444;DMPC;CCM15;25;0;;1.37;;7.139;;1.544;;0.536;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzaldehyde;MM00837;O=Cc1ccccc1;HUMNYLRZRPPJDN-UHFFFAOYSA-N;106.12;1.5;240;;;;DMPC;CCM15;25;0;;0.924;;0.697;;3.501;;2.1;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene;MM00129;c1ccccc1;UHOVQNZJYSORNB-UHFFFAOYSA-N;78.11;1.69;241;;BNZ;CHEMBL277500;DMPC;CCM15;25;0;;0.733;;0.14;;4.425;;2.942;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;DMPC;CCM15;25;0;;1.051;;3.17;;3.119;;1.833;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diphenylmethanone;MM00838;O=C(c1ccccc1)c1ccccc1;RWCCWEUUXYIKHB-UHFFFAOYSA-N;182.22;2.92;3102;DB01878;BZQ;CHEMBL90039;DMPC;CCM15;25;0;;0.796;;0.847;;5.828;;3.544;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Bromide";MM00840;BrCc1ccccc1;AGEZXYOZHKGVCM-UHFFFAOYSA-N;171.04;2.58;7498;;;;DMPC;CCM15;25;0;;0.796;;0.208;;4.997;;3.354;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(E)-4-phenylbut-3-en-2-one;MM00841;CC(=O)/C=C/c1ccccc1;BWHOZHOGCMHOBV-BQYQJAHWSA-N;146.19;2.29;637759;;;;DMPC;CCM15;25;0;;0.924;;1.143;;4.801;;2.651;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Nicotinate";MM00842;O=C(OCc1ccccc1)c1cccnc1;KVYGGMBOZFWZBQ-UHFFFAOYSA-N;213.24;2.44;7191;;;CHEMBL209744;DMPC;CCM15;25;0;;0.86;;1.243;;6.059;;3.376;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Boric Acid";MM00843;OB(O)O;KGBXLFKZBHKPEV-UHFFFAOYSA-N;61.83;-2.05;7628;DB11326;BO3;CHEMBL42403;DMPC;CCM15;25;0;;2.198;;8.728;;0.554;;-0.059;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DMPC;CCM15;25;0;;1.051;;2.34;;2.454;;1.239;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione;MM00844;CCCCC1(CC)C(=O)NC(=O)NC1=O;STDBAQMTJLUMFW-UHFFFAOYSA-N;212.25;0.94;6473;DB01353;;CHEMBL404422;DMPC;CCM15;25;0;;1.242;;6.683;;2.954;;1.323;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl Nicotinate";MM00845;CCCCOC(=O)c1cccnc1;DQULIMIQTCDUAN-UHFFFAOYSA-N;179.22;2.04;81353;;;;DMPC;CCM15;25;0;;0.86;;1.19;;5.73;;3.085;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DMPC;CCM15;25;0;;1.115;;3.167;;2.265;;1.271;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;DMPC;CCM15;25;0;;1.242;;2.652;;2.422;;0.624;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-3,5-dimethylphenol;MM00846;Cc1cc(O)cc(C)c1Cl;OSDLLIBGSJNGJE-UHFFFAOYSA-N;156.61;2.66;2723;DB11121;;CHEMBL398440;DMPC;CCM15;25;0;;0.987;;2.651;;4.856;;2.989;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;DMPC;CCM15;25;0;;0.86;;1.038;;8.147;;4.473;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-chloro-3H-1,3-benzoxazol-2-one;MM00041;O=c1[nH]c2cc(Cl)ccc2o1;TZFWDZFKRBELIQ-UHFFFAOYSA-N;169.57;1.77;2733;;;;DMPC;CCM15;25;0;;1.115;;3.826;;3.57;;2.132;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(E)-3-phenylprop-2-enal;MM00847;O=C/C=C/c1ccccc1;KJPRLNWUNMBNBZ-QPJJXVBHSA-N;132.16;1.9;637511;;;;DMPC;CCM15;25;0;;0.924;;0.958;;4.393;;2.468;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cinnamic Acid";MM00848;O=C(O)C=Cc1ccccc1;WBYWAXJHAXSJNI-UHFFFAOYSA-N;148.16;1.78;444539;;;;DMPC;CCM15;25;0;;0.987;;3.101;;3.831;;2.325;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cinnamyl Alcohol";MM00849;OC/C=C/c1ccccc1;OOCCDEMITAIZTP-QPJJXVBHSA-N;134.18;1.69;5315892;;;;DMPC;CCM15;25;0;;0.987;;2.263;;4.004;;2.285;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;DMPC;CCM15;25;0;;0.924;;1.862;;5.405;;2.793;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;DMPC;CCM15;25;0;;1.115;;3.479;;5.676;;1.828;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;DMPC;CCM15;25;0;;0.924;;1.107;;3.826;;2.276;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cyclophosphamide Monohydrate";MM00850;O.O=P1(N(CCCl)CCCl)NCCCO1;PWOQRKCAHTVFLB-UHFFFAOYSA-N;279.1;1.06;22420;;;;DMPC;CCM15;25;0;;1.051;;1.856;;4.431;;2.19;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;DMPC;CCM15;25;0;;1.115;;4.025;;3.555;;1.784;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D8-tetrahydrocannabinol;MM00852;CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21;HCAWPGARWVBULJ-UHFFFAOYSA-N;314.47;5.74;2977;;;;DMPC;CCM15;25;0;;0.796;;1.624;;11.052;;6.765;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Decan-1-ol;MM00853;CCCCCCCCCCO;MWKFXSUHUHTGQN-UHFFFAOYSA-N;158.29;3.12;8174;;;;DMPC;CCM15;25;0;;0.796;;1.831;;7.755;;4.546;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;DMPC;CCM15;25;0;;1.242;;4.151;;4.355;;1.526;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DMPC;CCM15;25;0;;0.924;;3.196;;7.077;;4.357;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-4-methylpiperazine-1-carboxamide;MM00854;CCN(CC)C(=O)N1CCN(C)CC1;RCKMWOKWVGPNJF-UHFFFAOYSA-N;199.3;0.7;3052;DB00711;;CHEMBL684;DMPC;CCM15;25;0;;0.987;;2.616;;4.713;;1.937;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethylene Glycol Butyl Ether";MM00855;CCCCOCCOCCOCCCC;KZVBBTZJMSWGTK-UHFFFAOYSA-N;218.34;2.64;8177;;;;DMPC;CCM15;25;0;;0.924;;1.106;;4.01;;1.842;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethyl Maleate";MM00856;"CCOC(=O)/C=C\C(=O)OCC";IEPRKVQEAMIZSS-WAYWQWQTSA-N;172.18;0.67;5271566;;;;DMPC;CCM15;25;0;;1.178;;6.219;;2.746;;1.599;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Digitoxin;MM00857;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;WDJUZGPOPHTGOT-UHFFFAOYSA-N;764.95;3.25;441207;DB01396;;CHEMBL254219;DMPC;CCM15;25;0;;1.115;;1.17;;8.885;;3.812;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dihydromorphine;MM00858;CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5;IJVCSMSMFSCRME-KBQPJGBKSA-N;287.36;1.42;5359421;DB01565;;CHEMBL1500;DMPC;CCM15;25;0;;1.051;;3.774;;4.141;;1.936;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethylethanamine;MM00859;CCN(C)C;DAZXVJBJRMWXJP-UHFFFAOYSA-N;73.14;0.57;11723;;;;DMPC;CCM15;25;0;;0.86;;1.021;;3.564;;2;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Propylideneoctanoic Acid";MM00860;CCC=C(CCCCCC)C(=O)O;WAYFJTUZNWOHQH-UHFFFAOYSA-N;184.28;3.38;54421236;;;;DMPC;CCM15;25;0;;0.86;;2.398;;7.436;;4.455;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;DMPC;CCM15;25;0;;1.051;;2.794;;4.048;;2.101;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;DMPC;CCM15;25;0;;1.051;;2.528;;5.319;;2.939;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DMPC;CCM15;25;0;;1.178;;2.479;;0.934;;0.32;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl 4-aminobenzoate";MM00043;CCOC(=O)c1ccc(N)cc1;BLFLLBZGZJTVJG-UHFFFAOYSA-N;165.19;1.45;2337;;;;DMPC;CCM15;25;0;;1.051;;2.137;;3.491;;1.914;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethylbenzene;MM00861;CCc1ccccc1;YNQLUTRBYVCPMQ-UHFFFAOYSA-N;106.17;2.25;7500;;;;DMPC;CCM15;25;0;;0.669;;0.112;;5.989;;3.96;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl Nicotinate";MM00862;CCOC(=O)c1cccnc1;XBLVHTDFJBKJLG-UHFFFAOYSA-N;151.17;1.26;69188;;;;DMPC;CCM15;25;0;;0.924;;1.338;;3.787;;1.996;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Etorphine;MM00863;CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5;CAHCBJPUTCKATP-FAWZKKEFSA-N;411.54;3.16;644209;DB01497;;;DMPC;CCM15;25;0;;0.86;;2.47;;7.944;;4.135;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;DMPC;CCM15;25;0;;0.86;;1.206;;9.709;;5.157;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluocinonide;MM00864;CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C;WJOHZNCJWYWUJD-IUGZLZTKSA-N;494.53;2.94;9642;DB01047;;CHEMBL1501;DMPC;CCM15;25;0;;1.178;;3.455;;6.391;;2.376;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;DMPC;CCM15;25;0;;;;;;;;252.566;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2E)-3,7-dimethylocta-2,6-dien-1-ol;MM00865;CC(C)=CCC/C(C)=C/CO;GLZPCOQZEFWAFX-JXMROGBWSA-N;154.25;2.67;637566;;;;DMPC;CCM15;25;0;;0.924;;2.031;;5.979;;3.382;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;DMPC;CCM15;25;0;;0.924;;2.134;;7.173;;3.735;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Heptanoic Acid";MM00653;CCCCCCC(=O)O;MNWFXJYAOYHMED-UHFFFAOYSA-N;130.19;2.04;8094;DB02938;SHV;CHEMBL320358;DMPC;CCM15;25;0;;0.987;;2.733;;4.627;;2.764;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Heptan-1-ol;MM00866;CCCCCCCO;BBMCTIGTTCKYKF-UHFFFAOYSA-N;116.2;1.95;8129;;;;DMPC;CCM15;25;0;;0.924;;2.161;;5.084;;2.864;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;DMPC;CCM15;25;0;;0.987;;2.862;;3.759;;2.225;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hexan-1-ol;MM00868;CCCCCCO;ZSIAUFGUXNUGDI-UHFFFAOYSA-N;102.18;1.56;8103;;;;DMPC;CCM15;25;0;;0.987;;2.213;;4.162;;2.298;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hexyl Nicotinate";MM00869;CCCCCCOC(=O)c1cccnc1;RVYGVBZGSFLJKH-UHFFFAOYSA-N;207.27;2.82;90202;;;;DMPC;CCM15;25;0;;0.796;;1.058;;7.678;;4.204;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Histidine;MM00749;N[C@@H](Cc1cnc[nH]1)C(=O)O;HNDVDQJCIGZPNO-YFKPBYRVSA-N;155.16;-0.64;6274;DB00117;HIS;CHEMBL17962;DMPC;CCM15;25;0;;1.815;;8.786;;0.478;;-0.077;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;DMPC;CCM15;25;0;;1.242;;3.298;;4.175;;1.036;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone 6-hydroxyhexanoate";MM00872;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCO;YUFRCVRCAXAMAD-FOMYWIRZSA-N;476.61;2.89;21116188;;;;DMPC;CCM15;25;0;;1.178;;3.008;;5.516;;1.673;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone N,N-dimethylsuccinamate";MM00873;CN(C)C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C;GTCKMDDVRMAXDO-UHFFFAOYSA-N;489.61;2.2;101125086;;;;DMPC;CCM15;25;0;;1.178;;3.328;;4.769;;1.685;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Caproate";MM00874;CCCCCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C;XZSVYVIYKBHVMV-UHFFFAOYSA-N;460.61;3.91;107423;;;;DMPC;CCM15;25;0;;0.987;;1.885;;7.843;;3.926;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Hemisuccinate";MM00875;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O;VWQWXZAWFPZJDA-CGVGKPPMSA-N;462.54;2.2;16623;;;;DMPC;CCM15;25;0;;1.178;;3.424;;4.089;;1.57;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Octanoate";MM00876;CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;VWVPRYMOFYIOOZ-KAQKJVHQSA-N;488.67;4.69;94330;;;;DMPC;CCM15;25;0;;0.924;;1.492;;9.438;;5.114;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Pimelamate";MM00877;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCC(N)=O;XIFOOZGYYROQTN-AYVLZSQQSA-N;503.64;2.77;101127492;;;;DMPC;CCM15;25;0;;1.178;;3.19;;4.811;;1.635;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Succinamate";MM00878;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(N)=O;WHLKBSQDHLLPMO-CGVGKPPMSA-N;461.56;1.6;101127490;;;;DMPC;CCM15;25;0;;1.433;;5.67;;4.018;;0.927;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydromorphone;MM00879;CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5;WVLOADHCBXTIJK-YNHQPCIGSA-N;285.34;1.63;5284570;DB00327;;CHEMBL398707;DMPC;CCM15;25;0;;1.178;;4.157;;2.9;;1.447;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-methylimidazo[4,5-f]quinolin-2-amine;MM00880;Cn1c(N)nc2c3cccnc3ccc21;ARZWATDYIYAUTA-UHFFFAOYSA-N;198.23;1.7;53462;;;;DMPC;CCM15;25;0;;1.242;;5.097;;2.389;;1.149;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DMPC;CCM15;25;0;;0.924;;2.591;;6.793;;4.091;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;DMPC;CCM15;25;0;;0.987;;3.156;;7.261;;4.321;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methoxy-4-[(E)-prop-1-enyl]phenol;MM00881;C/C=C/c1ccc(O)c(OC)c1;BJIOGJUNALELMI-ONEGZZNKSA-N;164.2;2.43;853433;;;;DMPC;CCM15;25;0;;0.86;;0.8;;5.344;;3.388;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isoquinoline;MM00882;c1ccc2cnccc2c1;AWJUIBRHMBBTKR-UHFFFAOYSA-N;129.16;2.23;8405;DB04329;ISQ;CHEMBL12315;DMPC;CCM15;25;0;;0.924;;1.338;;4.136;;2.358;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-alanyl-L-tryptophan;MM00883;CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O;WUGMRIBZSVSJNP-UHFFFAOYSA-N;275.31;0.63;85362;;;;DMPC;CCM15;25;0;;1.306;;7.451;;2.351;;1.121;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;DMPC;CCM15;25;0;;0.796;;1.412;;6.774;;3.73;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;DMPC;CCM15;25;0;;1.37;;4.969;;1.347;;0.284;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;DMPC;CCM15;25;0;;2.835;;9.594;;0.473;;-1.088;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;DMPC;CCM15;25;0;;0.86;;1.256;;6.88;;3.738;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;DMPC;CCM15;25;0;;1.306;;2.72;;0.314;;-0.042;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Methanesulfonate";MM00885;COS(C)(=O)=O;MBABOKRGFJTBAE-UHFFFAOYSA-N;110.13;-0.41;4156;;;;DMPC;CCM15;25;0;;1.115;;1.003;;1.982;;1.202;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Nicotinate";MM00886;COC(=O)c1cccnc1;YNBADRVTZLEFNH-UHFFFAOYSA-N;137.14;0.87;7151;DB13882;;CHEMBL379845;DMPC;CCM15;25;0;;0.987;;1.433;;2.883;;1.487;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;DMPC;CCM15;25;0;;1.115;;3.982;;3.547;;1.765;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-nitroso-N-methyldodecylamine;MM00887;CCCCCCCCCCCCN(C)N=O;QPUKANZXOGADOB-UHFFFAOYSA-N;228.38;4.52;41320;;;;DMPC;CCM15;25;0;;0.35;;0.04;;11.968;;7.392;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Octylazepan-2-one;MM00888;CCCCCCCCN1CCCCCC1=O;VKAMZEDHHWTTNZ-UHFFFAOYSA-N;225.38;3.75;2754067;;;;DMPC;CCM15;25;0;;0.733;;1.433;;9.023;;5.004;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-m-toluamide;MM00889;CCN(CC)C(=O)c1cccc(C)c1;MMOXZBCLCQITDF-UHFFFAOYSA-N;191.27;2.48;4284;;;;DMPC;CCM15;25;0;;0.86;;1.624;;6.035;;3.291;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naphthalene;MM00890;c1ccc2ccccc2c1;UFWIBTONFRDIAS-UHFFFAOYSA-N;128.17;2.84;931;;;;DMPC;CCM15;25;0;;0.733;;0.219;;6.03;;3.96;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;DMPC;CCM15;25;0;;0.924;;2.87;;5.94;;3.551;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(pyridine-3-carbonylamino)ethyl nitrate";MM00891;O=C(NCCO[N+](=O)[O-])c1cccnc1;LBHIOVVIQHSOQN-UHFFFAOYSA-N;211.18;0.02;47528;DB09220;;CHEMBL284906;DMPC;CCM15;25;0;;1.178;;3.208;;3.368;;1.802;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;DMPC;CCM15;25;0;;0.86;;1.273;;4.881;;2.593;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Nicotinic Acid";MM00892;O=C(O)c1cccnc1;PVNIIMVLHYAWGP-UHFFFAOYSA-N;123.11;0.78;938;DB00627;NIO;CHEMBL573;DMPC;CCM15;25;0;;1.306;;4.276;;1.657;;0.882;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nitrobenzene;MM00136;O=[N+]([O-])c1ccccc1;LQNUZADURLCDLV-UHFFFAOYSA-N;123.11;1.59;7416;;;;DMPC;CCM15;25;0;;0.86;;0.445;;3.698;;2.476;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propane-1,2,3-triyl trinitrate";MM00893;O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-];SNIOPGDIGTZGOP-UHFFFAOYSA-N;227.09;-1.02;4510;DB00727;TNG;CHEMBL730;DMPC;CCM15;25;0;;1.115;;1.372;;4.64;;2.961;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nonan-1-ol;MM00894;CCCCCCCCCO;ZWRUINPWMLAQRD-UHFFFAOYSA-N;144.26;2.73;8914;DB03143;F09;CHEMBL24563;DMPC;CCM15;25;0;;0.796;;1.96;;6.849;;3.977;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octanoic Acid";MM00676;CCCCCCCC(=O)O;WWZKQHOCKIZLMA-UHFFFAOYSA-N;144.21;2.43;379;DB04519;OCA;CHEMBL324846;DMPC;CCM15;25;0;;0.924;;2.615;;5.498;;3.304;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Octan-1-ol;MM00895;CCCCCCCCO;KBPLFHHGFOOTCA-UHFFFAOYSA-N;130.23;2.34;957;DB12452;OC9;CHEMBL26215;DMPC;CCM15;25;0;;0.86;;2.065;;5.996;;3.441;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ouabain;MM00896;CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O;LPMXVESGRSUGHW-UHFFFAOYSA-N;584.66;-1.52;439501;DB01092;OBN;CHEMBL222863;DMPC;CCM15;25;0;;1.561;;13.652;;2.944;;-0.586;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxazolone;MM00897;CCOC=C1N=C(c2ccccc2)OC1=O;SJHPCNCNNSSLPL-UHFFFAOYSA-N;217.22;1.87;1712094;;;;DMPC;CCM15;25;0;;0.924;;1.253;;5.543;;3.215;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Aminobenzoic Acid";MM00046;Nc1ccc(C(=O)O)cc1;ALYNCZNDIQEVRV-UHFFFAOYSA-N;137.14;0.97;978;;;;DMPC;CCM15;25;0;;1.306;;4.558;;1.475;;0.89;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine;MM00898;Cn1c(N)nc2ncc(-c3ccccc3)cc21;UQVKZNNCIHJZLS-UHFFFAOYSA-N;224.27;2.22;1530;DB08398;PIQ;CHEMBL1213271;DMPC;CCM15;25;0;;1.115;;7.268;;3.698;;2.057;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Pentanoic Acid";MM00900;[13CH3][13CH2][13CH2]CC(=O)O;NQPDZGIKBAWPEJ-VMIGTVKRSA-N;105.11;1.26;71309430;;;;DMPC;CCM15;25;0;;1.051;;2.977;;2.95;;1.722;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pentan-1-ol;MM00901;CCCCCO;AMQJEAYHLZJPGS-UHFFFAOYSA-N;88.15;1.17;6276;;;;DMPC;CCM15;25;0;;0.987;;2.259;;3.292;;1.753;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;CCC1(c2ccccc2)C(=O)NC(=O)NC1=O;DDBREPKUVSBGFI-UHFFFAOYSA-N;232.24;0.7;4763;DB01174;;CHEMBL40;DMPC;CCM15;25;0;;1.242;;7.347;;2.755;;1.354;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenol;MM00206;Oc1ccccc1;ISWSIDIOOBJBQZ-UHFFFAOYSA-N;94.11;1.39;996;DB03255;IPH;CHEMBL14060;DMPC;CCM15;25;0;;1.051;;2.743;;2.895;;1.692;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;DMPC;CCM15;25;0;;0.987;;1.713;;5.265;;3.122;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;DMPC;CCM15;25;0;;0.86;;0.562;;8.173;;3.717;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;DMPC;CCM15;25;0;;1.115;;2.395;;1.662;;0.752;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DMPC;CCM15;25;0;;0.987;;1.865;;5.967;;3.493;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;DMPC;CCM15;25;0;;1.242;;5.095;;3.069;;1.848;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Resorcinol;MM00903;Oc1cccc(O)c1;GHMLBKRAJCXXBS-UHFFFAOYSA-N;110.11;1.1;5054;DB11085;RCO;CHEMBL24147;DMPC;CCM15;25;0;;1.306;;5.542;;1.722;;1.042;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;DMPC;CCM15;25;0;;1.051;;2.942;;3.217;;1.921;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;DMPC;CCM15;25;0;;1.178;;3.468;;3.774;;1.207;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Styrene;MM00905;C=Cc1ccccc1;PPBRXRYQALVLMV-UHFFFAOYSA-N;104.15;2.33;7501;;;;DMPC;CCM15;25;0;;0.733;;0.17;;5.511;;3.641;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;DMPC;CCM15;25;0;;3.153;;16.441;;0.717;;-11.683;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;DMPC;CCM15;25;0;;0.86;;1.362;;10.418;;5.495;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"T-2 Toxin";MM00906;CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2;BXFOFFBJRFZBQZ-QYWOHJEZSA-N;466.53;1.69;5284461;;;;DMPC;CCM15;25;0;;1.051;;3.47;;5.917;;2.303;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tenofovir;MM00907;CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O;SGOIRFVFHAKUTI-UHFFFAOYSA-N;287.22;-0.05;464205;;;;DMPC;CCM15;25;0;;1.815;;11.411;;1.968;;0.846;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;DMPC;CCM15;25;0;;0.987;;1.366;;6.157;;2.509;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Tetramethylthiuram Disulfide";MM00908;CN(C)C(=S)SSC(=S)N(C)C;KUAZQDVKQLNFPE-UHFFFAOYSA-N;240.44;2.06;5455;;;;DMPC;CCM15;25;0;;0.924;;1.044;;5.632;;3.279;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DMPC;CCM15;25;0;;1.37;;5.699;;1.383;;0.164;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Thioglycolic Acid";MM00909;O=C(O)CS;CWERGRDVMFNCDR-UHFFFAOYSA-N;92.12;;1133;;;;DMPC;CCM15;25;0;;1.879;;3.053;;1.239;;0.749;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-methyl-2-propan-2-ylphenol;MM00910;Cc1ccc(C(C)C)c(O)c1;MGSRCZKZVOBKFT-UHFFFAOYSA-N;150.22;2.82;6989;DB02513;IPB;CHEMBL29411;DMPC;CCM15;25;0;;0.924;;2.073;;5.49;;3.369;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Toluene;MM00911;Cc1ccccc1;YXFVVABEGXRONW-UHFFFAOYSA-N;92.14;2;1140;DB11558;MBN;CHEMBL9113;DMPC;CCM15;25;0;;0.669;;0.122;;5.24;;3.471;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chloroform;MM00912;ClC(Cl)Cl;HEDRZPFGACZZDS-UHFFFAOYSA-N;119.38;1.99;6212;;;;DMPC;CCM15;25;0;;0.796;;0.198;;3.913;;2.653;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;DMPC;CCM15;25;0;;2.07;;9.28;;0.279;;-0.498;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxy-3-methoxybenzaldehyde;MM00913;COc1cc(C=O)ccc1O;MWOOGOJBHIARFG-UHFFFAOYSA-N;152.15;1.21;1183;;;;DMPC;CCM15;25;0;;1.051;;1.68;;3.059;;1.697;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DMPC;CCM15;25;0;;2.198;;6.294;;0.157;;-0.431;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DMPC;CCM15;25;0;;1.306;;3.731;;0.974;;0.521;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;DMPC;CCM15;25;0;;1.815;;13.453;;1.072;;-0.152;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;DMPC;CCM15;25;0;;3.153;;10.775;;0.282;;-0.883;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Aflatoxin B1";MM00914;COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2;OQIQSTLJSLGHID-WNWIJWBNSA-N;312.28;2.28;186907;;;;DMPC;CCM15;25;0;;1.051;;2.67;;5.119;;2.655;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;DMPC;CCM15;25;0;;0.86;;2.56;;5.732;;3.151;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;DMPC;CCM15;25;0;;1.306;;5.601;;4.409;;1.691;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzo[a]pyrene;MM00169;c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34;FMMWHPNWAFZXNH-UHFFFAOYSA-N;252.32;5.74;2336;;;;DMPC;CCM15;25;0;;0.669;;0.379;;9.833;;6.371;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzophenone-3;MM00918;COc1ccc(C(=O)c2ccccc2)c(O)c1;DXGLGDHPHMLXJC-UHFFFAOYSA-N;228.25;2.63;4632;DB01428;;CHEMBL1625;DMPC;CCM15;25;0;;1.051;;2.389;;4.617;;2.661;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benztropine;MM00919;CN1[C@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2;GIJXKZJWITVLHI-YOFSQIOKSA-N;307.44;4.42;1201549;DB00245;CXQ;CHEMBL1201203;DMPC;CCM15;25;0;;0.796;;1.398;;8.74;;5.097;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Alcohol";MM00072;OCc1ccccc1;WVDDGKGOMKODPV-UHFFFAOYSA-N;108.14;1.18;244;DB06770;010;CHEMBL720;DMPC;CCM15;25;0;;1.051;;2.573;;2.705;;1.457;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;DMPC;CCM15;25;0;;0.733;;0.807;;11.86;;7.027;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Betamethasone;MM00920;CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO;UREBDLICKHMUKA-UHFFFAOYSA-N;392.47;1.9;9782;DB00443;;CHEMBL632;DMPC;CCM15;25;0;;1.242;;4.766;;4.386;;1.364;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Betamethasone 17-valerate";MM00921;CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C;SNHRLVCMMWUAJD-SUYDQAKGSA-N;476.59;3.64;16533;;;;DMPC;CCM15;25;0;;1.051;;3.859;;7.458;;2.829;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;DMPC;CCM15;25;0;;0.796;;0.995;;9.261;;5.174;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;DMPC;CCM15;25;0;;1.306;;4.489;;1.473;;0.902;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromochloroacetic Acid";MM00923;O=C(O)C(Cl)Br;GEHJBWKLJVFKPS-UHFFFAOYSA-N;173.39;1.03;542762;;;;DMPC;CCM15;25;0;;1.242;;3.891;;2.519;;1.468;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-bromo-2-chloroacetonitrile;MM00924;N#CC(Cl)Br;BMWPPNAUMLRKML-UHFFFAOYSA-N;154.39;1.47;55004;;;;DMPC;CCM15;25;0;;1.115;;0.827;;2.79;;1.779;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromo(dichloro)methane;MM00925;ClC(Cl)Br;FMWLUWPQPKEARP-UHFFFAOYSA-N;163.83;2.14;6359;;;;DMPC;CCM15;25;0;;0.86;;0.197;;3.876;;2.634;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromoform;MM00027;BrC(Br)Br;DIKBFYAXUHHXCS-UHFFFAOYSA-N;252.73;2.45;5558;DB03054;MBR;CHEMBL345248;DMPC;CCM15;25;0;;0.924;;0.194;;3.884;;2.637;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl P-aminobenzoate";MM00028;CCCCOC(=O)c1ccc(N)cc1;IUWVALYLNVXWKX-UHFFFAOYSA-N;193.25;2.23;2482;DB11148;;CHEMBL127516;DMPC;CCM15;25;0;;0.924;;1.985;;5.144;;2.988;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl 4-hydroxybenzoate";MM00029;CCCCOC(=O)c1ccc(O)cc1;QFOHBWFCKVYLES-UHFFFAOYSA-N;194.23;2.35;7184;;;;DMPC;CCM15;25;0;;0.924;;2.984;;5.638;;3.379;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Catechol;MM00030;Oc1ccccc1O;YCIMNLLNPGFGHC-UHFFFAOYSA-N;110.11;1.1;289;DB02232;CAQ;CHEMBL280998;DMPC;CCM15;25;0;;1.178;;3.814;;2.246;;1.301;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2,2-trichloroethane-1,1-diol;MM00031;OC(O)C(Cl)(Cl)Cl;RNFNDJAIBTYOQL-UHFFFAOYSA-N;165.4;0.67;2707;DB01563;;CHEMBL455917;DMPC;CCM15;25;0;;1.178;;4.688;;2.131;;1.147;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;DMPC;CCM15;25;0;;1.306;;4.386;;1.39;;0.845;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-chloroacetonitrile;MM00033;N#CCCl;RENMDAKOXSCIGH-UHFFFAOYSA-N;75.5;0.75;7856;;;;DMPC;CCM15;25;0;;1.178;;1.19;;1.643;;0.987;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dibromo(chloro)methane;MM00034;ClC(Br)Br;GATVIKZLVQHOMN-UHFFFAOYSA-N;208.28;2.3;31296;;;;DMPC;CCM15;25;0;;0.86;;0.192;;3.874;;2.636;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid";MM00035;CC1=C2C(=COC(C)C2C)C(=O)C(C(=O)O)=C1O;CBGDIJWINPWWJW-UHFFFAOYSA-N;250.25;1.72;54680783;;;;DMPC;CCM15;25;0;;0.796;;0.919;;5.281;;3.204;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;DMPC;CCM15;25;0;;1.115;;1.937;;5.292;;1.84;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;DMPC;CCM15;25;0;;1.051;;1.257;;6.831;;2.598;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortisone;MM00347;CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO;LPYXTAPPNYMYOP-UHFFFAOYSA-N;362.47;1.78;222786;;;;DMPC;CCM15;25;0;;1.242;;3.821;;4.549;;1.382;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione;MM00038;CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O;WTYGAUXICFETTC-UHFFFAOYSA-N;236.27;1.25;5838;;;;DMPC;CCM15;25;0;;1.306;;7.656;;3.292;;1.762;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;MM00928;O=P1(N(CCCl)CCCl)NCCCO1;CMSMOCZEIVJLDB-UHFFFAOYSA-N;261.09;1.88;2907;DB00531;;CHEMBL88;DMPC;CCM15;25;0;;1.051;;1.856;;4.431;;2.19;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cytarabine;MM00929;Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1;UHDGCWIWMRVCDJ-UHFFFAOYSA-N;243.22;-2.56;6253;DB00987;AR3;CHEMBL803;DMPC;CCM15;25;0;;2.006;;13.966;;0.696;;-0.423;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;MM00930;O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12;ZQSIJRDFPHDXIC-UHFFFAOYSA-N;254.24;2.87;5281708;;;;DMPC;CCM15;25;0;;1.178;;5.058;;3.328;;1.876;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane;MM00931;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;FHIVAFMUCKRCQO-UHFFFAOYSA-N;304.35;3.58;3017;;;;DMPC;CCM15;25;0;;0.733;;0.686;;8.595;;5.091;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dibromoacetic Acid";MM00932;O=C(O)C(Br)Br;SIEILFNCEFEENQ-UHFFFAOYSA-N;217.84;1.19;12433;;;;DMPC;CCM15;25;0;;1.178;;3.434;;2.766;;1.641;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dibromoacetonitrile;MM00933;N#CC(Br)Br;NDSBDLSWTGLNQA-UHFFFAOYSA-N;198.85;1.63;18617;;;;DMPC;CCM15;25;0;;1.115;;0.896;;2.714;;1.714;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dichloroacetic Acid";MM00934;O=C(O)C(Cl)Cl;JXTHNDFMNIQAHM-UHFFFAOYSA-N;128.94;0.87;6597;DB08809;TF4;CHEMBL13960;DMPC;CCM15;25;0;;1.178;;1.583;;2.341;;1.401;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dichloroacetonitrile;MM00935;N#CC(Cl)Cl;STZZWJCGRKXEFF-UHFFFAOYSA-N;109.94;1.31;18177;;;;DMPC;CCM15;25;0;;1.051;;0.752;;2.865;;1.841;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;MM00937;CNC(=O)CSP(=S)(OC)OC;MCWXGJITAZMZEV-UHFFFAOYSA-N;229.26;0.98;3082;;;;DMPC;CCM15;25;0;;1.115;;2.757;;3.234;;1.665;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dimethyl Phthalate";MM00938;COC(=O)c1ccccc1C(=O)OC;NIQCNGHVCWTJSM-UHFFFAOYSA-N;194.19;1.26;8554;;;;DMPC;CCM15;25;0;;0.987;;1.642;;4.312;;2.193;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estriol;MM00201;C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O;PROQIPRRNZUXQM-ZXXIGWHRSA-N;288.39;2.58;5756;DB04573;ESL;CHEMBL193482;DMPC;CCM15;25;0;;1.178;;5.079;;3.01;;1.285;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estrone;MM00114;CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O;DNXHEGUUPJUMQT-UHFFFAOYSA-N;270.37;3.82;5870;DB00655;J3Z;CHEMBL1405;DMPC;CCM15;25;0;;0.924;;2.051;;5.731;;3.186;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethacrynic Acid";MM00939;C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl;AVOLMBLBETYQHX-UHFFFAOYSA-N;303.14;3.61;3278;DB00903;EAA;CHEMBL456;DMPC;CCM15;25;0;;0.987;;3.616;;6.172;;3.703;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethoxyethane;MM00936;CCOCC;RTZKZFJDLAIYFH-UHFFFAOYSA-N;74.12;1.04;3283;;;;DMPC;CCM15;25;0;;0.796;;0.348;;3.497;;2.077;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Methoxyethyl Acetate";MM00942;COCCOC(C)=O;XLLIQLLCWZCATF-UHFFFAOYSA-N;118.13;0.2;8054;;;;DMPC;CCM15;25;0;;0.987;;0.901;;2.688;;1.262;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylene Glycol Monopropyl Ether";MM00943;CCCOCCO;YEYKMVJDLWJFOA-UHFFFAOYSA-N;104.15;0.41;17756;;;;DMPC;CCM15;25;0;;0.987;;1.169;;2.816;;1.379;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylhexyl Acrylate";MM00944;C=CC(=O)OCC(CC)CCCC;GOXQRTZXKQZDDN-UHFFFAOYSA-N;184.28;2.93;7636;;;;DMPC;CCM15;25;0;;0.86;;2.398;;7.436;;4.455;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid";MM00946;CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3;NNYBQONXHNTVIJ-UHFFFAOYSA-N;287.36;3.38;3308;DB00749;;CHEMBL622;DMPC;CCM15;25;0;;0.987;;3.739;;6.235;;3.644;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;DMPC;CCM15;25;0;;2.006;;11.61;;1.866;;0.742;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluazifop-butyl;MM00947;CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1;VAIZTNZGPYBOGF-UHFFFAOYSA-N;383.37;5;50897;;;;DMPC;CCM15;25;0;;0.733;;0.606;;10.183;;5.79;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;DMPC;CCM15;25;0;;0.86;;2.37;;7.206;;4.597;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;DMPC;CCM15;25;0;;0.796;;1.462;;9.417;;5.446;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;DMPC;CCM15;25;0;;0.924;;2.662;;6.803;;4.228;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flurbiprofen Glucoside";MM00948;CC(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(-c2ccccc2)c(F)c1;UDHRABHPKDXEHJ-ANEISTKZSA-N;406.41;0.94;;;;;DMPC;CCM15;25;0;;1.178;;6.218;;5.264;;2.684;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flurbiprofen Mannoside";MM00949;CC(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(-c2ccccc2)cc1;MLGXWTASTYOKAK-JTTULHRFSA-N;388.42;0.8;;;;;DMPC;CCM15;25;0;;1.115;;5.037;;5.348;;2.727;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;DMPC;CCM15;25;0;;1.178;;4.35;;3.571;;2.075;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;DMPC;CCM15;25;0;;0.987;;2.471;;8.151;;4.35;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone 21-propionate";MM00871;CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;MRECAIZOMKKXOZ-RPPPWEFESA-N;418.53;2.74;111228;;;;DMPC;CCM15;25;0;;1.242;;4.589;;4.083;;1.064;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,4-diol;MM00951;Oc1ccc(O)cc1;QIGBRXMKCJKVMJ-UHFFFAOYSA-N;110.11;1.1;785;DB09526;HQE;CHEMBL537;DMPC;CCM15;25;0;;1.306;;5.646;;1.596;;0.929;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydroxypregnenolone;MM00952;CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C;JERGUCIJOXJXHF-TVWVXWENSA-N;332.48;3.63;91451;;;;DMPC;CCM15;25;0;;0.987;;2.062;;6.01;;2.595;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Iso-thymol;MM00954;Cc1ccc(C(C)C)cc1O;RECUKUPTGUEGMW-UHFFFAOYSA-N;150.22;2.82;10364;;;;DMPC;CCM15;25;0;;0.924;;1.539;;5.678;;3.474;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;DMPC;CCM15;25;0;;1.115;;2.327;;1.435;;0.591;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;MM00956;CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1;ALFGKMXHOUSVAD-UHFFFAOYSA-N;247.34;2.33;10101;DB06738;;CHEMBL47072;DMPC;CCM15;25;0;;0.987;;3.57;;4.816;;2.575;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;DMPC;CCM15;25;0;;0.987;;3.539;;5.591;;3.127;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid";MM00957;O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O;OZWKMVRBQXNZKK-UHFFFAOYSA-N;255.27;2.29;3826;DB00465;;CHEMBL469;DMPC;CCM15;25;0;;1.051;;3.498;;5.303;;3.03;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;DMPC;CCM15;25;0;;1.879;;6.796;;2.03;;1.06;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Linolenic Acid";MM00959;"CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O";DTOSIQBPPRVQHS-PDBXOOCHSA-N;278.44;5.66;5280934;DB00132;LNL;CHEMBL8739;DMPC;CCM15;25;0;;0.669;;1.16;;11.225;;6.941;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;MM00960;CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O;WLHQHAUOOXYABV-UHFFFAOYSA-N;371.83;2.3;54690031;DB06725;;CHEMBL1569487;DMPC;CCM15;25;0;;0.924;;1.489;;6.22;;3.852;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Methylphenol;MM00208;Cc1cccc(O)c1;RLSSMJSEOOYNOY-UHFFFAOYSA-N;108.14;1.7;342;DB01776;CRS;CHEMBL298312;DMPC;CCM15;25;0;;1.051;;2.561;;3.554;;2.111;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate";MM00269;CNC(=O)Oc1cc(C)c(SC)c(C)c1;YFBPRJGDJKVWAH-UHFFFAOYSA-N;225.31;2.74;16248;;;;DMPC;CCM15;25;0;;0.924;;1.739;;6.425;;3.691;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;DMPC;CCM15;25;0;;1.752;;12.907;;3.512;;1.487;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-hydroxyphenylacetate";MM00271;COC(=O)Cc1ccc(O)cc1;XGDZEDRBLVIUMX-UHFFFAOYSA-N;166.18;1.11;518900;;;;DMPC;CCM15;25;0;;1.115;;3.248;;3.14;;1.734;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-aminobenzoate";MM00272;COC(=O)c1ccc(N)cc1;LZXXNPOYQCLXRS-UHFFFAOYSA-N;151.17;1.06;12082;;;;DMPC;CCM15;25;0;;1.115;;2.201;;2.732;;1.448;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-hydroxybenzoate";MM00273;COC(=O)c1ccc(O)cc1;LXCFILQKKLGQFO-UHFFFAOYSA-N;152.15;1.18;7456;;;;DMPC;CCM15;25;0;;1.115;;3.519;;3.061;;1.705;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Salicylate";MM00274;COC(=O)c1ccccc1O;OSWPMRLSEDHDFF-UHFFFAOYSA-N;152.15;1.18;4133;DB09543;;CHEMBL108545;DMPC;CCM15;25;0;;0.86;;0.455;;4.623;;2.948;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;DMPC;CCM15;25;0;;0.924;;1.796;;6.606;;3.437;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-Nitrosodiethanolamine;MM00276;O=NN(CCO)CCO;YFCDLVPYFMHRQZ-UHFFFAOYSA-N;134.14;-1.05;14223;;;;DMPC;CCM15;25;0;;2.962;;6.376;;0.231;;-0.565;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;DMPC;CCM15;25;0;;1.051;;3.265;;4.628;;2.329;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;DMPC;CCM15;25;0;;0.924;;2.526;;8.27;;4.568;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-nitro-2-phenoxymethanesulfonanilide;MM00279;CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1;HYWYRSMBCFDLJT-UHFFFAOYSA-N;308.32;2.76;4495;DB04743;NIM;CHEMBL56367;DMPC;CCM15;25;0;;1.051;;2.54;;5.285;;3.228;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nizatidine;MM00084;CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1;SGXXNSQHWDMGGP-UHFFFAOYSA-N;331.47;1.32;3033637;DB00585;;CHEMBL3183075;DMPC;CCM15;25;0;;1.115;;3.209;;4.677;;2.028;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;DMPC;CCM15;25;0;;0.796;;1.687;;8.845;;5.235;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methylphenol;MM01283;Cc1ccccc1O;QWVGKYWNOKOFNN-UHFFFAOYSA-N;108.14;1.7;335;;;;DMPC;CCM15;25;0;;0.987;;1.884;;3.512;;2.1;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Phenylenediamine;MM00282;Nc1ccccc1N;GEYOCULIXLDCMW-UHFFFAOYSA-N;108.14;0.85;7243;;;;DMPC;CCM15;25;0;;1.242;;2.574;;1.369;;0.655;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-tert-butylphenol;MM00213;CC(C)(C)c1ccccc1O;WJQOZHYUIDYNHM-UHFFFAOYSA-N;150.22;2.69;6923;;;;DMPC;CCM15;25;0;;0.796;;0.366;;5.595;;3.665;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-toluidine;MM00284;Cc1ccccc1N;RNVCVTLRINQCPJ-UHFFFAOYSA-N;107.16;1.58;7242;;;;DMPC;CCM15;25;0;;0.987;;0.842;;3.313;;2.055;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Tolunitrile;MM00285;Cc1ccccc1C#N;NWPNXBQSRGKSJB-UHFFFAOYSA-N;117.15;1.87;10721;;;;DMPC;CCM15;25;0;;0.86;;0.504;;4.314;;2.701;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ochratoxin A";MM00286;CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1;RWQKHEORZBHNRI-UHFFFAOYSA-N;403.82;2.57;442530;;;;DMPC;CCM15;25;0;;1.051;;3.94;;6.504;;3.73;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octyl 4-hydroxybenzoate";MM00287;CCCCCCCCOC(=O)c1ccc(O)cc1;RIKCMEDSBFQFAL-UHFFFAOYSA-N;250.34;3.91;14642;;;;DMPC;CCM15;25;0;;0.796;;2.323;;8.933;;5.624;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Oleic Acid";MM00288;CCCCCCCC/C=C/CCCCCCCC(=O)O;ZQPPMHVWECSIRJ-MDZDMXLPSA-N;282.47;6.11;637517;DB04224;ELA;CHEMBL460657;DMPC;CCM15;25;0;;0.605;;1.006;;13.52;;8.375;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;DMPC;CCM15;25;0;;0.924;;1.566;;6.669;;3.547;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
P-Cresol;MM00290;Cc1ccc(O)cc1;IWDCLRJOBJJRNH-UHFFFAOYSA-N;108.14;1.7;2879;DB01688;PCR;CHEMBL16645;DMPC;CCM15;25;0;;1.051;;2.565;;3.569;;2.133;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
P-Phenylenediamine;MM00291;Nc1ccc(N)cc1;CBCKQZAAMUWICA-UHFFFAOYSA-N;108.14;0.85;7814;;;;DMPC;CCM15;25;0;;1.306;;2.379;;0.934;;0.375;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-n-butylphenol;MM00155;CCCCc1ccc(O)cc1;CYYZDBDROVLTJU-UHFFFAOYSA-N;150.22;2.73;15420;;;;DMPC;CCM15;25;0;;0.924;;2.236;;5.788;;3.661;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;MM00293;CC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)n1cncn1;RMOGWMIKYWRTKW-KGLIPLIRSA-N;293.8;3.12;158076;;;;DMPC;CCM15;25;0;;0.924;;1.287;;6.645;;3.516;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,3,5-triol;MM00294;Oc1cc(O)cc(O)c1;QCDYQQDYXPDABM-UHFFFAOYSA-N;126.11;0.8;359;DB12944;13X;CHEMBL473159;DMPC;CCM15;25;0;;2.134;;9.565;;1.574;;0.834;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Physostigmine;MM00295;CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C;PIJVFDBKTWXHHD-HIFRSBDPSA-N;275.35;1.77;5983;DB00981;;CHEMBL94;DMPC;CCM15;25;0;;0.987;;3.039;;4.962;;2.459;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate";MM00296;Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C;YFGYUFNIOHWBOB-UHFFFAOYSA-N;238.29;1.22;31645;;;;DMPC;CCM15;25;0;;0.924;;1.768;;5.97;;2.959;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;DMPC;CCM15;25;0;;1.242;;4.421;;4.487;;1.305;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pregnenolone;MM00298;CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C;ORNBQBCIOKFOEO-QGVNFLHTSA-N;316.49;4.52;8955;DB02789;PLO;CHEMBL253363;DMPC;CCM15;25;0;;0.86;;1.626;;7.574;;3.707;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propyl 4-hydroxybenzoate";MM00299;CCCOC(=O)c1ccc(O)cc1;QELSKZZBTMNZEB-UHFFFAOYSA-N;180.2;1.96;7175;;;;DMPC;CCM15;25;0;;0.987;;3.2;;4.797;;2.795;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,2,3-triol;MM00300;Oc1cccc(O)c1O;WQGWDDDVZFFDIG-UHFFFAOYSA-N;126.11;0.8;1057;;;;DMPC;CCM15;25;0;;1.242;;5.22;;1.938;;1.178;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Raffinose;MM00301;OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O;MUPFEKGTMRGPLJ-ZQSKZDJDSA-N;504.44;-7.57;439242;;;;DMPC;CCM15;25;0;;3.153;;18.178;;1.738;;-12.951;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;DMPC;CCM15;25;0;;0.987;;1.367;;5.776;;3.141;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate";MM00303;O=C1c2ccccc2OCN1CCO[N+](=O)[O-];POVFCWQCRHXYAB-UHFFFAOYSA-N;238.2;0.69;121985;;;;DMPC;CCM15;25;0;;1.051;;1.431;;4.617;;2.724;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;DMPC;CCM15;25;0;;1.051;;2.713;;4.164;;2.348;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;DMPC;CCM15;25;0;;1.242;;6.842;;2.474;;1.338;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;DMPC;CCM15;25;0;;1.433;;5.372;;3.295;;0.741;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Triamcinolone Acetonide";MM00308;CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1;YNDXUCZADRHECN-UHFFFAOYSA-N;434.5;2.42;6436;;;;DMPC;CCM15;25;0;;1.178;;3.202;;4.088;;1.129;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Trichloroacetic Acid";MM00309;O=C(O)C(Cl)(Cl)Cl;YNJBWRMUSHSURL-UHFFFAOYSA-N;163.39;1.44;6421;DB11152;;;DMPC;CCM15;25;0;;1.051;;3.292;;3.877;;2.347;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triclosan;MM00310;Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl;XEFQLINVKFYRCS-UHFFFAOYSA-N;289.55;5.14;5564;DB08604;TCL;CHEMBL849;DMPC;CCM15;25;0;;0.86;;1.207;;8.037;;5.175;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Valsartan;MM00311;CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C;ACWBQPMHZXGDFX-UHFFFAOYSA-N;435.53;4.16;60846;DB00177;;CHEMBL1069;DMPC;CCM15;25;0;;1.051;;3.886;;6.723;;3.535;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(R)-Ibuprofen;MM00051;CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1;HEFNNWSXXWATRW-SNVBAGLBSA-N;206.29;3.07;114864;;;;DMPC;CCM15;25;0;;0.924;;2.599;;6.755;;4.064;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(S)-Ibuprofen;MM00052;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;39912;DB09213;IBP;CHEMBL175;DMPC;CCM15;25;0;;0.924;;2.57;;6.766;;4.075;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zearalenone;MM00312;C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1;MBMQEIFVQACCCH-QBODLPLBSA-N;318.37;3.58;5281576;;;;DMPC;CCM15;25;0;;1.115;;3.634;;3.935;;2.25;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-hexyl-2-pyrrolidone;MM00781;CCCCCCN1CCCC1=O;BAWUFGWWCWMUNU-UHFFFAOYSA-N;169.27;2.19;78555;;;;DOPC;CCM15;25;0;;0.843;;1.478;;6.534;;3.227;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methoxy-2-propanol;MM00782;COCC(C)O;ARXJGSRGQADJSQ-UHFFFAOYSA-N;90.12;0.01;7900;;;;DOPC;CCM15;25;0;;1.136;;1.547;;1.647;;0.462;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Octyl-2-Pyrrolidone;MM00022;CCCCCCCCN1CCCC1=O;WPPOGHDFAVQKLN-UHFFFAOYSA-N;197.32;2.97;3033871;;;;DOPC;CCM15;25;0;;0.77;;1.286;;8.126;;4.26;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
17-Hydroxyprogesterone;MM00783;CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C;DBPWSSGDRRHUNT-CEGNMAFCSA-N;330.47;3.84;6238;;;;DOPC;CCM15;25;0;;0.916;;1.113;;7.119;;2.831;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1-dichloropropanone;MM00785;CC(=O)C(Cl)Cl;CSVFWMMPUJDVKH-UHFFFAOYSA-N;126.97;1.38;10567;;;;DOPC;CCM15;25;0;;0.99;;0.621;;2.64;;1.613;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,1-Trichloroethane;MM00786;CC(Cl)(Cl)Cl;UOCLXMDMGBRAIB-UHFFFAOYSA-N;133.41;2.38;6278;;;;DOPC;CCM15;25;0;;0.623;;0.041;;4.88;;3.16;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,1-trichloropropanone;MM00787;CC(=O)C(Cl)(Cl)Cl;SMZHKGXSEAGRTI-UHFFFAOYSA-N;161.42;1.95;13514;;;;DOPC;CCM15;25;0;;0.77;;0.152;;4.681;;2.919;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2,4-Benzenetriol;MM00992;Oc1ccc(O)c(O)c1;GGNQRNBDZQJCCN-UHFFFAOYSA-N;126.11;0.8;10787;;;;DOPC;CCM15;25;0;;2.016;;6.674;;1.367;;0.701;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Acetylaminofluorene;MM00789;CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2;CZIHNRWJTSTCEX-UHFFFAOYSA-N;223.28;3.22;5897;;;;DOPC;CCM15;25;0;;1.063;;2.513;;5.625;;3.132;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Amino-4-Nitrophenol;MM00790;Nc1cc([N+](=O)[O-])ccc1O;VLZVIIYRNMWPSN-UHFFFAOYSA-N;154.13;0.88;3613389;;;;DOPC;CCM15;25;0;;1.356;;4.529;;1.912;;1.071;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butanone;MM00791;CCC(C)=O;ZWEHNKRNPOVVGH-UHFFFAOYSA-N;72.11;0.99;6569;;;;DOPC;CCM15;25;0;;0.916;;0.615;;2.527;;1.207;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Chlorophenol;MM00219;Oc1ccccc1Cl;ISPYQTSUDJAMAB-UHFFFAOYSA-N;128.56;2.05;7245;DB03110;2CH;CHEMBL108877;DOPC;CCM15;25;0;;1.063;;1.083;;3.773;;2.278;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Ethoxyethanol;MM00792;CCOCCO;ZNQVEEAIQZEUHB-UHFFFAOYSA-N;90.12;0.02;8076;DB02249;ETX;CHEMBL119596;DOPC;CCM15;25;0;;1.21;;1.419;;1.592;;0.38;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Isopropoxyethanol;MM00023;CC(C)OCCO;HCGFUIQPSOCUHI-UHFFFAOYSA-N;104.15;0.4;7996;;;;DOPC;CCM15;25;0;;1.136;;1.438;;1.917;;0.516;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthol;MM00793;Oc1ccc2ccccc2c1;JWAZRIHNYRIHIV-UHFFFAOYSA-N;144.17;2.55;8663;;;CHEMBL14126;DOPC;CCM15;25;0;;1.063;;2.408;;4.543;;2.698;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenylethanol;MM00794;OCCc1ccccc1;WRMNZCZEMHIOCP-UHFFFAOYSA-N;122.17;1.22;6054;DB02192;PEL;CHEMBL448500;DOPC;CCM15;25;0;;1.063;;1.313;;3.406;;1.841;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(2-Butoxyethoxy)ethyl Acetate";MM00795;CCCCOCCOCCOC(C)=O;VXQBJTKSVGFQOL-UHFFFAOYSA-N;204.27;1.38;31288;;;;DOPC;CCM15;25;0;;0.916;;1.078;;5.158;;2.343;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butoxyethanol;MM00024;CCCCOCCO;POAOYUHQDCAZBD-UHFFFAOYSA-N;118.18;0.8;8133;;;;DOPC;CCM15;25;0;;0.99;;0.9;;3.743;;1.787;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthylamine;MM00025;Nc1ccc2ccccc2c1;JBIJLHTVPXGSAM-UHFFFAOYSA-N;143.19;2.42;7057;;;CHEMBL278164;DOPC;CCM15;25;0;;0.99;;0.891;;4.146;;2.509;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Nitro-P-phenylenediamine;MM00797;Nc1cccc([N+](=O)[O-])c1N;IOCXBXZBNOYTLQ-UHFFFAOYSA-N;153.14;0.76;4359525;;;;DOPC;CCM15;25;0;;1.356;;2.312;;1.244;;0.674;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenoxyethanol;MM00026;OCCOc1ccccc1;QCDWFXQBSFUVSP-UHFFFAOYSA-N;138.17;1.06;31236;DB11304;268;CHEMBL1229846;DOPC;CCM15;25;0;;1.063;;1.739;;3.488;;1.84;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-butanediol;MM00798;CC(O)C(C)O;OWBTYPJTUOEWEK-UHFFFAOYSA-N;90.12;-0.25;262;;;;DOPC;CCM15;25;0;;1.356;;3.904;;0.783;;-0.18;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dichloroacetophenone;MM00799;CC(=O)c1ccc(Cl)cc1Cl;XMCRWEBERCXJCH-UHFFFAOYSA-N;189.04;3.2;16693;;;;DOPC;CCM15;25;0;;0.77;;0.23;;5.437;;3.517;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dichlorophenol;MM00800;Oc1ccc(Cl)cc1Cl;HFZWRUODUSTPEG-UHFFFAOYSA-N;163;2.7;8449;;;;DOPC;CCM15;25;0;;0.916;;0.59;;4.976;;3.167;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dinitrochlorobenzene;MM00801;O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1;VYZAHLCBVHPDDF-UHFFFAOYSA-N;202.55;2.16;6;DB11831;;CHEMBL292687;DOPC;CCM15;25;0;;0.99;;0.57;;4.384;;2.81;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4,6-trichlorophenol;MM00224;Oc1c(Cl)cc(Cl)cc1Cl;LINPIYWFGCPVIE-UHFFFAOYSA-N;197.45;3.35;6914;;;CHEMBL309917;DOPC;CCM15;25;0;;0.843;;0.53;;5.81;;3.748;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4'-Dichloroacetophenone;MM00803;O=C(CCl)c1ccc(Cl)cc1;FWDFNLVLIXAOMX-UHFFFAOYSA-N;189.04;2.76;70298;;;;DOPC;CCM15;25;0;;0.916;;0.56;;4.833;;2.868;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,5-Diaminotoluene;MM00804;Cc1cc(N)ccc1N;OBCSAIDCZQSFQH-UHFFFAOYSA-N;122.17;1.16;7252;;;;DOPC;CCM15;25;0;;1.283;;1.652;;1.255;;0.507;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Nitrophenol;MM00225;O=[N+]([O-])c1cccc(O)c1;RTZZCYNQPHTPPL-UHFFFAOYSA-N;139.11;1.3;11137;;;;DOPC;CCM15;25;0;;1.136;;3.218;;3.061;;1.744;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(3-Methoxypropoxy)propan-1-ol;MM00805;COCCCOCCCO;QCAHUFWKIQLBNB-UHFFFAOYSA-N;148.2;0.42;66984;;;;DOPC;CCM15;25;0;;1.136;;2.903;;2.728;;0.708;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3,4-Xylenol;MM00806;Cc1ccc(O)cc1C;YCOXTKKNXUZSKD-UHFFFAOYSA-N;122.17;2.01;7249;DB04052;2MP;CHEMBL192008;DOPC;CCM15;25;0;;0.99;;2.221;;4.2;;2.463;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Amino-3-Nitrophenol;MM00808;Nc1ccc(O)cc1[N+](=O)[O-];IQXUIDYRTHQTET-UHFFFAOYSA-N;154.13;0.88;3758882;;;;DOPC;CCM15;25;0;;1.356;;4.13;;1.762;;1.009;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Aminophenol;MM00809;Nc1ccc(O)cc1;PLIKAWJENQZMHA-UHFFFAOYSA-N;109.13;0.97;403;;;;DOPC;CCM15;25;0;;1.356;;3.508;;1.158;;0.52;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-bromophenol;MM00158;Oc1ccc(Br)cc1;GZFGOTFRPZRKDS-UHFFFAOYSA-N;173.01;2.15;7808;;;CHEMBL57284;DOPC;CCM15;25;0;;1.063;;2.618;;3.873;;2.269;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-BromophenylIsocyanate;MM00810;O=C=Nc1ccc(Br)cc1;CZQIJQFTRGDODI-UHFFFAOYSA-N;198.02;2.42;75609;;;;DOPC;CCM15;25;0;;0.623;;0.115;;6.237;;3.996;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Chloroaniline;MM00811;Nc1ccc(Cl)cc1;QSNSCYSYFYORTR-UHFFFAOYSA-N;127.57;1.92;7812;;;;DOPC;CCM15;25;0;;1.063;;0.981;;3.397;;2.031;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Chlorobutyric Acid";MM00812;O=C(O)CCCCl;IPLKGJHGWCVSOG-UHFFFAOYSA-N;122.55;1.09;12300;;;;DOPC;CCM15;25;0;;1.21;;2.933;;2.545;;1.366;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Chlorocresol;MM00813;Cc1cc(O)ccc1Cl;CFKMVGJGLGKFKI-UHFFFAOYSA-N;142.59;2.35;1732;;;;DOPC;CCM15;25;0;;0.99;;1.999;;4.369;;2.611;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chlorophenol;MM00157;Oc1ccc(Cl)cc1;WXNZTHHGJRFXKQ-UHFFFAOYSA-N;128.56;2.05;4684;DB13154;4CH;CHEMBL57053;DOPC;CCM15;25;0;;1.063;;2.61;;3.82;;2.232;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Ethylphenol;MM00153;CCc1ccc(O)cc1;HXDOZKJGKXYMEW-UHFFFAOYSA-N;122.17;1.95;31242;;;CHEMBL108475;DOPC;CCM15;25;0;;0.99;;2.299;;4.262;;2.516;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylvaleric Acid";MM00814;CC(C)CCC(=O)O;FGKJLKRYENPLQH-UHFFFAOYSA-N;116.16;1.51;12587;DB03993;4MV;CHEMBL1230308;DOPC;CCM15;25;0;;1.063;;2.676;;3.805;;2.097;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Nitro-o-Phenylenediamine;MM00818;Nc1ccc([N+](=O)[O-])cc1N;RAUWPNXIALNKQM-UHFFFAOYSA-N;153.14;0.76;5111791;;;;DOPC;CCM15;25;0;;1.943;;4.256;;1.43;;0.652;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Nitrophenol;MM00819;O=[N+]([O-])c1ccc(O)cc1;BTJIUGUIPKRLHP-UHFFFAOYSA-N;139.11;1.3;980;DB04417;NPO;CHEMBL14130;DOPC;CCM15;25;0;;1.21;;3.409;;2.877;;1.617;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Tolunitrile;MM00820;Cc1ccc(C#N)cc1;VCZNNAKNUVJVGX-UHFFFAOYSA-N;117.15;1.87;7724;;;;DOPC;CCM15;25;0;;0.843;;0.433;;4.473;;2.613;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-amino-2-nitrophenol;MM00821;Nc1ccc(O)c([N+](=O)[O-])c1;WHODQVWERNSQEO-UHFFFAOYSA-N;154.13;0.88;3417419;;;;DOPC;CCM15;25;0;;1.21;;1.551;;2.252;;1.254;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-m-phenylenediamine;MM00822;Nc1ccc(Cl)c(N)c1;ZWUBBMDHSZDNTA-UHFFFAOYSA-N;142.59;1.5;21209;;;;DOPC;CCM15;25;0;;1.21;;1.641;;1.933;;0.998;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-o-phenylenediamine;MM00823;Nc1ccc(Cl)cc1N;BXIXXXYDDJVHDL-UHFFFAOYSA-N;142.59;1.5;7263;;;;DOPC;CCM15;25;0;;1.21;;2.253;;1.928;;0.944;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-cyanophenol;MM00231;N#Cc1ccc(O)cc1;CVNOWLNNPYYEOH-UHFFFAOYSA-N;119.12;1.26;13019;;;;DOPC;CCM15;25;0;;1.21;;3.411;;2.56;;1.406;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-hydroxybenzyl Alcohol";MM00824;OCc1ccc(O)cc1;BVJSUAQZOZWCKN-UHFFFAOYSA-N;124.14;0.88;125;;;;DOPC;CCM15;25;0;;1.356;;5.103;;1.504;;0.639;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxyphenylacetamide;MM00825;NC(=O)Cc1ccc(O)cc1;YBPAYPRLUDCSEY-UHFFFAOYSA-N;151.17;0.42;86986;;;;DOPC;CCM15;25;0;;1.503;;6.264;;1.187;;0.333;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-hydroxyphenylacetic Acid";MM00826;O=C(O)Cc1ccc(O)cc1;XQXPVVBIMDBYFF-UHFFFAOYSA-N;152.15;1.02;127;;;;DOPC;CCM15;25;0;;1.356;;5.343;;2.214;;1.123;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-propoxyphenol;MM00827;CCCOc1ccc(O)cc1;KIIIPQXXLVCCQP-UHFFFAOYSA-N;152.19;2.18;29352;;;;DOPC;CCM15;25;0;;0.99;;2.197;;4.716;;2.79;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4,4'-methylenedianiline;MM00828;Nc1ccc(Cc2ccc(N)cc2)cc1;YBRVSVVVWCFQMG-UHFFFAOYSA-N;198.27;2.44;7577;;;;DOPC;CCM15;25;0;;1.063;;1.418;;3.569;;2.017;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-Fluorouracil;MM00829;O=c1[nH]cc(F)c(=O)[nH]1;GHASVSINZRGABV-UHFFFAOYSA-N;130.08;-0.8;3385;DB00544;URF;CHEMBL185;DOPC;CCM15;25;0;;1.869;;8.695;;0.798;;0.123;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;DOPC;CCM15;25;0;;1.723;;6.218;;0.842;;-0.211;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Methylcoumarin;MM00830;Cc1ccc2oc(=O)ccc2c1;FXFYOPQLGGEACP-UHFFFAOYSA-N;160.17;2.1;7092;;;;DOPC;CCM15;25;0;;0.916;;0.942;;4.813;;2.63;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-ethoxycoumarin;MM00831;CCOc1ccc2ccc(=O)oc2c1;LIFAQMGORKPVDH-UHFFFAOYSA-N;190.2;2.19;35703;;;;DOPC;CCM15;25;0;;0.916;;0.976;;5.47;;3.04;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-phenylethanone;MM00832;CC(=O)c1ccccc1;KWOLFJPFCHCOCG-UHFFFAOYSA-N;120.15;1.89;7410;DB04619;AC0;CHEMBL274467;DOPC;CCM15;25;0;;0.916;;0.677;;3.923;;2.133;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DOPC;CCM15;25;0;;1.136;;3.201;;3.22;;1.691;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;DOPC;CCM15;25;0;;1.43;;3.094;;4.777;;0.939;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;MM00833;CCC1(CCC(C)C)C(=O)NC(=O)NC1=O;VIROVYVQCGLCII-UHFFFAOYSA-N;226.28;1.19;2164;DB01351;;CHEMBL267894;DOPC;CCM15;25;0;;1.283;;6.369;;3.438;;1.477;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;DOPC;CCM15;25;0;;1.063;;0.847;;2.563;;1.483;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Anisole;MM00834;COc1ccccc1;RDOXTESZEPMUJZ-UHFFFAOYSA-N;108.14;1.7;7519;;;;DOPC;CCM15;25;0;;0.77;;0.148;;4.579;;2.912;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;DOPC;CCM15;25;0;;1.943;;6.463;;0.975;;0.237;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate";MM00779;CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2;RKUNBYITZUJHSG-UHFFFAOYSA-N;289.38;1.93;174174;DB00572;OIN;CHEMBL517712;DOPC;CCM15;25;0;;1.063;;2.267;;5.505;;2.371;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5,5-diethyl-1,3-diazinane-2,4,6-trione;MM00836;CCC1(CC)C(=O)NC(=O)NC1=O;FTOAOBMCPZCFFF-UHFFFAOYSA-N;184.2;0.16;2294;DB01483;;CHEMBL444;DOPC;CCM15;25;0;;1.43;;6.964;;1.628;;0.427;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzaldehyde;MM00837;O=Cc1ccccc1;HUMNYLRZRPPJDN-UHFFFAOYSA-N;106.12;1.5;240;;;;DOPC;CCM15;25;0;;0.916;;0.56;;3.548;;1.978;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene;MM00129;c1ccccc1;UHOVQNZJYSORNB-UHFFFAOYSA-N;78.11;1.69;241;;BNZ;CHEMBL277500;DOPC;CCM15;25;0;;0.696;;0.069;;4.398;;2.847;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;DOPC;CCM15;25;0;;1.136;;2.899;;3.177;;1.775;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diphenylmethanone;MM00838;O=C(c1ccccc1)c1ccccc1;RWCCWEUUXYIKHB-UHFFFAOYSA-N;182.22;2.92;3102;DB01878;BZQ;CHEMBL90039;DOPC;CCM15;25;0;;0.843;;0.65;;5.869;;3.414;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Bromide";MM00840;BrCc1ccccc1;AGEZXYOZHKGVCM-UHFFFAOYSA-N;171.04;2.58;7498;;;;DOPC;CCM15;25;0;;0.77;;0.155;;5.081;;3.287;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(E)-4-phenylbut-3-en-2-one;MM00841;CC(=O)/C=C/c1ccccc1;BWHOZHOGCMHOBV-BQYQJAHWSA-N;146.19;2.29;637759;;;;DOPC;CCM15;25;0;;0.916;;0.986;;4.825;;2.51;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Nicotinate";MM00842;O=C(OCc1ccccc1)c1cccnc1;KVYGGMBOZFWZBQ-UHFFFAOYSA-N;213.24;2.44;7191;;;CHEMBL209744;DOPC;CCM15;25;0;;0.916;;1.031;;6.087;;3.253;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Boric Acid";MM00843;OB(O)O;KGBXLFKZBHKPEV-UHFFFAOYSA-N;61.83;-2.05;7628;DB11326;BO3;CHEMBL42403;DOPC;CCM15;25;0;;2.236;;8.47;;0.387;;-0.237;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DOPC;CCM15;25;0;;1.136;;2.173;;2.429;;1.097;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione;MM00844;CCCCC1(CC)C(=O)NC(=O)NC1=O;STDBAQMTJLUMFW-UHFFFAOYSA-N;212.25;0.94;6473;DB01353;;CHEMBL404422;DOPC;CCM15;25;0;;1.283;;6.452;;3.004;;1.229;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl Nicotinate";MM00845;CCCCOC(=O)c1cccnc1;DQULIMIQTCDUAN-UHFFFAOYSA-N;179.22;2.04;81353;;;;DOPC;CCM15;25;0;;0.916;;0.987;;5.796;;2.931;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DOPC;CCM15;25;0;;1.21;;2.953;;2.335;;1.187;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;DOPC;CCM15;25;0;;1.283;;2.303;;2.56;;0.452;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-3,5-dimethylphenol;MM00846;Cc1cc(O)cc(C)c1Cl;OSDLLIBGSJNGJE-UHFFFAOYSA-N;156.61;2.66;2723;DB11121;;CHEMBL398440;DOPC;CCM15;25;0;;0.99;;2.345;;4.92;;2.957;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;DOPC;CCM15;25;0;;0.843;;0.784;;8.129;;4.323;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-chloro-3H-1,3-benzoxazol-2-one;MM00041;O=c1[nH]c2cc(Cl)ccc2o1;TZFWDZFKRBELIQ-UHFFFAOYSA-N;169.57;1.77;2733;;;;DOPC;CCM15;25;0;;1.21;;3.539;;3.642;;2.051;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(E)-3-phenylprop-2-enal;MM00847;O=C/C=C/c1ccccc1;KJPRLNWUNMBNBZ-QPJJXVBHSA-N;132.16;1.9;637511;;;;DOPC;CCM15;25;0;;0.916;;0.824;;4.413;;2.341;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cinnamic Acid";MM00848;O=C(O)C=Cc1ccccc1;WBYWAXJHAXSJNI-UHFFFAOYSA-N;148.16;1.78;444539;;;;DOPC;CCM15;25;0;;1.063;;2.875;;3.936;;2.246;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cinnamyl Alcohol";MM00849;OC/C=C/c1ccccc1;OOCCDEMITAIZTP-QPJJXVBHSA-N;134.18;1.69;5315892;;;;DOPC;CCM15;25;0;;1.063;;2.126;;4.004;;2.205;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;DOPC;CCM15;25;0;;0.99;;1.53;;5.494;;2.608;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;DOPC;CCM15;25;0;;1.21;;3.356;;5.834;;1.719;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;DOPC;CCM15;25;0;;0.99;;0.949;;3.927;;2.138;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cyclophosphamide Monohydrate";MM00850;O.O=P1(N(CCCl)CCCl)NCCCO1;PWOQRKCAHTVFLB-UHFFFAOYSA-N;279.1;1.06;22420;;;;DOPC;CCM15;25;0;;1.063;;1.677;;4.419;;2.081;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;DOPC;CCM15;25;0;;1.136;;3.803;;3.873;;1.712;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D8-tetrahydrocannabinol;MM00852;CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21;HCAWPGARWVBULJ-UHFFFAOYSA-N;314.47;5.74;2977;;;;DOPC;CCM15;25;0;;0.843;;1.454;;10.941;;6.766;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Decan-1-ol;MM00853;CCCCCCCCCCO;MWKFXSUHUHTGQN-UHFFFAOYSA-N;158.29;3.12;8174;;;;DOPC;CCM15;25;0;;0.843;;1.568;;7.631;;4.371;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;DOPC;CCM15;25;0;;1.21;;4.107;;4.831;;1.494;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;CCM15;25;0;;0.99;;2.741;;7.164;;4.341;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-4-methylpiperazine-1-carboxamide;MM00854;CCN(CC)C(=O)N1CCN(C)CC1;RCKMWOKWVGPNJF-UHFFFAOYSA-N;199.3;0.7;3052;DB00711;;CHEMBL684;DOPC;CCM15;25;0;;0.99;;2.377;;4.762;;1.723;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethylene Glycol Butyl Ether";MM00855;CCCCOCCOCCOCCCC;KZVBBTZJMSWGTK-UHFFFAOYSA-N;218.34;2.64;8177;;;;DOPC;CCM15;25;0;;0.99;;0.851;;4.019;;1.686;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethyl Maleate";MM00856;"CCOC(=O)/C=C\C(=O)OCC";IEPRKVQEAMIZSS-WAYWQWQTSA-N;172.18;0.67;5271566;;;;DOPC;CCM15;25;0;;1.283;;6.019;;2.894;;1.562;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Digitoxin;MM00857;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;WDJUZGPOPHTGOT-UHFFFAOYSA-N;764.95;3.25;441207;DB01396;;CHEMBL254219;DOPC;CCM15;25;0;;1.136;;1.304;;9.31;;3.806;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dihydromorphine;MM00858;CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5;IJVCSMSMFSCRME-KBQPJGBKSA-N;287.36;1.42;5359421;DB01565;;CHEMBL1500;DOPC;CCM15;25;0;;1.136;;3.569;;4.224;;1.791;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethylethanamine;MM00859;CCN(C)C;DAZXVJBJRMWXJP-UHFFFAOYSA-N;73.14;0.57;11723;;;;DOPC;CCM15;25;0;;0.916;;0.846;;3.495;;1.832;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Propylideneoctanoic Acid";MM00860;CCC=C(CCCCCC)C(=O)O;WAYFJTUZNWOHQH-UHFFFAOYSA-N;184.28;3.38;54421236;;;;DOPC;CCM15;25;0;;0.916;;2.15;;7.473;;4.34;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;DOPC;CCM15;25;0;;1.063;;2.699;;4.064;;1.998;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;DOPC;CCM15;25;0;;1.063;;2.347;;5.599;;2.922;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DOPC;CCM15;25;0;;1.283;;2.333;;0.93;;0.183;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl 4-aminobenzoate";MM00043;CCOC(=O)c1ccc(N)cc1;BLFLLBZGZJTVJG-UHFFFAOYSA-N;165.19;1.45;2337;;;;DOPC;CCM15;25;0;;1.063;;1.81;;3.336;;1.75;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethylbenzene;MM00861;CCc1ccccc1;YNQLUTRBYVCPMQ-UHFFFAOYSA-N;106.17;2.25;7500;;;;DOPC;CCM15;25;0;;0.623;;0.037;;5.945;;3.858;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl Nicotinate";MM00862;CCOC(=O)c1cccnc1;XBLVHTDFJBKJLG-UHFFFAOYSA-N;151.17;1.26;69188;;;;DOPC;CCM15;25;0;;0.99;;1.135;;3.902;;1.848;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Etorphine;MM00863;CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5;CAHCBJPUTCKATP-FAWZKKEFSA-N;411.54;3.16;644209;DB01497;;;DOPC;CCM15;25;0;;0.916;;2.328;;8.128;;4.073;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;DOPC;CCM15;25;0;;0.843;;1.083;;9.702;;5.066;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluocinonide;MM00864;CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C;WJOHZNCJWYWUJD-IUGZLZTKSA-N;494.53;2.94;9642;DB01047;;CHEMBL1501;DOPC;CCM15;25;0;;1.136;;3.199;;6.779;;2.287;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;DOPC;CCM15;25;0;;;;;;;;252.566;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2E)-3,7-dimethylocta-2,6-dien-1-ol;MM00865;CC(C)=CCC/C(C)=C/CO;GLZPCOQZEFWAFX-JXMROGBWSA-N;154.25;2.67;637566;;;;DOPC;CCM15;25;0;;0.916;;1.888;;5.96;;3.276;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;DOPC;CCM15;25;0;;0.99;;1.845;;7.184;;3.576;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Heptanoic Acid";MM00653;CCCCCCC(=O)O;MNWFXJYAOYHMED-UHFFFAOYSA-N;130.19;2.04;8094;DB02938;SHV;CHEMBL320358;DOPC;CCM15;25;0;;0.99;;2.457;;4.683;;2.671;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Heptan-1-ol;MM00866;CCCCCCCO;BBMCTIGTTCKYKF-UHFFFAOYSA-N;116.2;1.95;8129;;;;DOPC;CCM15;25;0;;0.99;;1.922;;5.014;;2.702;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;DOPC;CCM15;25;0;;1.063;;2.623;;3.845;;2.14;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hexan-1-ol;MM00868;CCCCCCO;ZSIAUFGUXNUGDI-UHFFFAOYSA-N;102.18;1.56;8103;;;;DOPC;CCM15;25;0;;0.99;;2.006;;4.118;;2.142;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hexyl Nicotinate";MM00869;CCCCCCOC(=O)c1cccnc1;RVYGVBZGSFLJKH-UHFFFAOYSA-N;207.27;2.82;90202;;;;DOPC;CCM15;25;0;;0.843;;0.878;;7.693;;4.049;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Histidine;MM00749;N[C@@H](Cc1cnc[nH]1)C(=O)O;HNDVDQJCIGZPNO-YFKPBYRVSA-N;155.16;-0.64;6274;DB00117;HIS;CHEMBL17962;DOPC;CCM15;25;0;;1.796;;8.347;;0.42;;-0.414;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;DOPC;CCM15;25;0;;1.283;;3.191;;4.519;;0.947;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone 6-hydroxyhexanoate";MM00872;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCO;YUFRCVRCAXAMAD-FOMYWIRZSA-N;476.61;2.89;21116188;;;;DOPC;CCM15;25;0;;1.21;;2.931;;5.957;;1.632;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone N,N-dimethylsuccinamate";MM00873;CN(C)C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C;GTCKMDDVRMAXDO-UHFFFAOYSA-N;489.61;2.2;101125086;;;;DOPC;CCM15;25;0;;1.136;;3.044;;5.219;;1.583;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Caproate";MM00874;CCCCCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C;XZSVYVIYKBHVMV-UHFFFAOYSA-N;460.61;3.91;107423;;;;DOPC;CCM15;25;0;;0.99;;1.845;;8.181;;3.873;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Hemisuccinate";MM00875;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O;VWQWXZAWFPZJDA-CGVGKPPMSA-N;462.54;2.2;16623;;;;DOPC;CCM15;25;0;;1.21;;3.176;;4.7;;1.488;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Octanoate";MM00876;CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;VWVPRYMOFYIOOZ-KAQKJVHQSA-N;488.67;4.69;94330;;;;DOPC;CCM15;25;0;;0.916;;1.423;;9.849;;5.037;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Pimelamate";MM00877;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCC(N)=O;XIFOOZGYYROQTN-AYVLZSQQSA-N;503.64;2.77;101127492;;;;DOPC;CCM15;25;0;;1.21;;3.055;;5.295;;1.519;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Succinamate";MM00878;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(N)=O;WHLKBSQDHLLPMO-CGVGKPPMSA-N;461.56;1.6;101127490;;;;DOPC;CCM15;25;0;;1.43;;5.41;;4.408;;0.8;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydromorphone;MM00879;CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5;WVLOADHCBXTIJK-YNHQPCIGSA-N;285.34;1.63;5284570;DB00327;;CHEMBL398707;DOPC;CCM15;25;0;;1.283;;4.089;;3.421;;1.367;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-methylimidazo[4,5-f]quinolin-2-amine;MM00880;Cn1c(N)nc2c3cccnc3ccc21;ARZWATDYIYAUTA-UHFFFAOYSA-N;198.23;1.7;53462;;;;DOPC;CCM15;25;0;;1.283;;4.59;;2.116;;0.89;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;CCM15;25;0;;0.99;;2.305;;6.745;;4.009;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;DOPC;CCM15;25;0;;0.99;;2.796;;7.513;;4.258;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methoxy-4-[(E)-prop-1-enyl]phenol;MM00881;C/C=C/c1ccc(O)c(OC)c1;BJIOGJUNALELMI-ONEGZZNKSA-N;164.2;2.43;853433;;;;DOPC;CCM15;25;0;;0.916;;0.723;;5.316;;3.292;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isoquinoline;MM00882;c1ccc2cnccc2c1;AWJUIBRHMBBTKR-UHFFFAOYSA-N;129.16;2.23;8405;DB04329;ISQ;CHEMBL12315;DOPC;CCM15;25;0;;0.916;;1.122;;4.066;;2.202;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-alanyl-L-tryptophan;MM00883;CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O;WUGMRIBZSVSJNP-UHFFFAOYSA-N;275.31;0.63;85362;;;;DOPC;CCM15;25;0;;1.356;;6.959;;2.29;;0.978;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;DOPC;CCM15;25;0;;0.843;;1.324;;6.887;;3.583;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;DOPC;CCM15;25;0;;1.503;;4.669;;1.385;;0.034;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;DOPC;CCM15;25;0;;3.189;;9.201;;0.633;;-1.969;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;DOPC;CCM15;25;0;;0.843;;1.076;;6.908;;3.597;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;DOPC;CCM15;25;0;;1.43;;2.614;;0.338;;-0.201;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Methanesulfonate";MM00885;COS(C)(=O)=O;MBABOKRGFJTBAE-UHFFFAOYSA-N;110.13;-0.41;4156;;;;DOPC;CCM15;25;0;;1.136;;0.812;;1.916;;1.081;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Nicotinate";MM00886;COC(=O)c1cccnc1;YNBADRVTZLEFNH-UHFFFAOYSA-N;137.14;0.87;7151;DB13882;;CHEMBL379845;DOPC;CCM15;25;0;;1.063;;1.234;;2.999;;1.342;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;DOPC;CCM15;25;0;;1.136;;3.756;;3.839;;1.679;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-nitroso-N-methyldodecylamine;MM00887;CCCCCCCCCCCCN(C)N=O;QPUKANZXOGADOB-UHFFFAOYSA-N;228.38;4.52;41320;;;;DOPC;CCM15;25;0;;0.33;;0.025;;11.899;;7.271;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Octylazepan-2-one;MM00888;CCCCCCCCN1CCCCCC1=O;VKAMZEDHHWTTNZ-UHFFFAOYSA-N;225.38;3.75;2754067;;;;DOPC;CCM15;25;0;;0.77;;1.313;;9.037;;4.829;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-m-toluamide;MM00889;CCN(CC)C(=O)c1cccc(C)c1;MMOXZBCLCQITDF-UHFFFAOYSA-N;191.27;2.48;4284;;;;DOPC;CCM15;25;0;;0.843;;1.534;;6.14;;3.13;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naphthalene;MM00890;c1ccc2ccccc2c1;UFWIBTONFRDIAS-UHFFFAOYSA-N;128.17;2.84;931;;;;DOPC;CCM15;25;0;;0.696;;0.111;;5.957;;3.867;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;DOPC;CCM15;25;0;;0.99;;2.565;;5.965;;3.495;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(pyridine-3-carbonylamino)ethyl nitrate";MM00891;O=C(NCCO[N+](=O)[O-])c1cccnc1;LBHIOVVIQHSOQN-UHFFFAOYSA-N;211.18;0.02;47528;DB09220;;CHEMBL284906;DOPC;CCM15;25;0;;1.21;;3.017;;3.506;;1.704;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;DOPC;CCM15;25;0;;0.916;;1.067;;4.901;;2.43;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Nicotinic Acid";MM00892;O=C(O)c1cccnc1;PVNIIMVLHYAWGP-UHFFFAOYSA-N;123.11;0.78;938;DB00627;NIO;CHEMBL573;DOPC;CCM15;25;0;;1.283;;3.936;;1.766;;0.787;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propane-1,2,3-triyl trinitrate";MM00893;O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-];SNIOPGDIGTZGOP-UHFFFAOYSA-N;227.09;-1.02;4510;DB00727;TNG;CHEMBL730;DOPC;CCM15;25;0;;1.063;;1.168;;4.54;;2.866;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nonan-1-ol;MM00894;CCCCCCCCCO;ZWRUINPWMLAQRD-UHFFFAOYSA-N;144.26;2.73;8914;DB03143;F09;CHEMBL24563;DOPC;CCM15;25;0;;0.843;;1.695;;6.746;;3.805;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octanoic Acid";MM00676;CCCCCCCC(=O)O;WWZKQHOCKIZLMA-UHFFFAOYSA-N;144.21;2.43;379;DB04519;OCA;CHEMBL324846;DOPC;CCM15;25;0;;0.99;;2.321;;5.53;;3.204;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Octan-1-ol;MM00895;CCCCCCCCO;KBPLFHHGFOOTCA-UHFFFAOYSA-N;130.23;2.34;957;DB12452;OC9;CHEMBL26215;DOPC;CCM15;25;0;;0.916;;1.815;;5.916;;3.276;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ouabain;MM00896;CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O;LPMXVESGRSUGHW-UHFFFAOYSA-N;584.66;-1.52;439501;DB01092;OBN;CHEMBL222863;DOPC;CCM15;25;0;;1.576;;12.986;;3.11;;-0.686;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxazolone;MM00897;CCOC=C1N=C(c2ccccc2)OC1=O;SJHPCNCNNSSLPL-UHFFFAOYSA-N;217.22;1.87;1712094;;;;DOPC;CCM15;25;0;;0.916;;1.047;;5.577;;3.083;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Aminobenzoic Acid";MM00046;Nc1ccc(C(=O)O)cc1;ALYNCZNDIQEVRV-UHFFFAOYSA-N;137.14;0.97;978;;;;DOPC;CCM15;25;0;;1.356;;4.28;;1.517;;0.779;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine;MM00898;Cn1c(N)nc2ncc(-c3ccccc3)cc21;UQVKZNNCIHJZLS-UHFFFAOYSA-N;224.27;2.22;1530;DB08398;PIQ;CHEMBL1213271;DOPC;CCM15;25;0;;1.21;;6.882;;3.617;;1.847;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Pentanoic Acid";MM00900;[13CH3][13CH2][13CH2]CC(=O)O;NQPDZGIKBAWPEJ-VMIGTVKRSA-N;105.11;1.26;71309430;;;;DOPC;CCM15;25;0;;1.136;;2.752;;3.043;;1.644;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pentan-1-ol;MM00901;CCCCCO;AMQJEAYHLZJPGS-UHFFFAOYSA-N;88.15;1.17;6276;;;;DOPC;CCM15;25;0;;1.063;;2.085;;3.265;;1.609;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;CCC1(c2ccccc2)C(=O)NC(=O)NC1=O;DDBREPKUVSBGFI-UHFFFAOYSA-N;232.24;0.7;4763;DB01174;;CHEMBL40;DOPC;CCM15;25;0;;1.356;;6.976;;2.781;;1.235;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenol;MM00206;Oc1ccccc1;ISWSIDIOOBJBQZ-UHFFFAOYSA-N;94.11;1.39;996;DB03255;IPH;CHEMBL14060;DOPC;CCM15;25;0;;1.136;;2.564;;2.989;;1.672;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;DOPC;CCM15;25;0;;0.99;;1.419;;5.321;;2.98;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;DOPC;CCM15;25;0;;0.843;;0.579;;8.323;;3.589;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;DOPC;CCM15;25;0;;1.21;;2.249;;1.655;;0.621;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DOPC;CCM15;25;0;;0.99;;1.681;;6.154;;3.385;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Resorcinol;MM00903;Oc1cccc(O)c1;GHMLBKRAJCXXBS-UHFFFAOYSA-N;110.11;1.1;5054;DB11085;RCO;CHEMBL24147;DOPC;CCM15;25;0;;1.356;;5.229;;1.942;;1.026;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;DOPC;CCM15;25;0;;1.136;;2.614;;3.285;;1.879;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;DOPC;CCM15;25;0;;1.21;;3.228;;3.97;;1.061;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Styrene;MM00905;C=Cc1ccccc1;PPBRXRYQALVLMV-UHFFFAOYSA-N;104.15;2.33;7501;;;;DOPC;CCM15;25;0;;0.696;;0.082;;5.467;;3.548;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;DOPC;CCM15;25;0;;3.629;;16.119;;0.886;;-5.477;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"T-2 Toxin";MM00906;CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2;BXFOFFBJRFZBQZ-QYWOHJEZSA-N;466.53;1.69;5284461;;;;DOPC;CCM15;25;0;;1.063;;3.159;;5.988;;2.194;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tenofovir;MM00907;CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O;SGOIRFVFHAKUTI-UHFFFAOYSA-N;287.22;-0.05;464205;;;;DOPC;CCM15;25;0;;1.869;;10.851;;2.091;;0.51;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;DOPC;CCM15;25;0;;0.99;;1.274;;6.286;;2.388;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Tetramethylthiuram Disulfide";MM00908;CN(C)C(=S)SSC(=S)N(C)C;KUAZQDVKQLNFPE-UHFFFAOYSA-N;240.44;2.06;5455;;;;DOPC;CCM15;25;0;;0.916;;0.764;;5.503;;3.156;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Thioglycolic Acid";MM00909;O=C(O)CS;CWERGRDVMFNCDR-UHFFFAOYSA-N;92.12;;1133;;;;DOPC;CCM15;25;0;;1.503;;2.877;;1.14;;0.542;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-methyl-2-propan-2-ylphenol;MM00910;Cc1ccc(C(C)C)c(O)c1;MGSRCZKZVOBKFT-UHFFFAOYSA-N;150.22;2.82;6989;DB02513;IPB;CHEMBL29411;DOPC;CCM15;25;0;;0.99;;1.933;;5.533;;3.356;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Toluene;MM00911;Cc1ccccc1;YXFVVABEGXRONW-UHFFFAOYSA-N;92.14;2;1140;DB11558;MBN;CHEMBL9113;DOPC;CCM15;25;0;;0.623;;0.049;;5.197;;3.371;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chloroform;MM00912;ClC(Cl)Cl;HEDRZPFGACZZDS-UHFFFAOYSA-N;119.38;1.99;6212;;;;DOPC;CCM15;25;0;;0.77;;0.112;;3.889;;2.552;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;DOPC;CCM15;25;0;;3.482;;8.951;;0.084;;-1.1;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxy-3-methoxybenzaldehyde;MM00913;COc1cc(C=O)ccc1O;MWOOGOJBHIARFG-UHFFFAOYSA-N;152.15;1.21;1183;;;;DOPC;CCM15;25;0;;1.136;;1.617;;3.096;;1.608;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;CCM15;25;0;;3.262;;6.019;;0.008;;-0.695;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DOPC;CCM15;25;0;;1.356;;3.568;;1.025;;0.401;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;DOPC;CCM15;25;0;;1.796;;12.813;;0.948;;-0.545;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;DOPC;CCM15;25;0;;3.629;;10.397;;0.389;;-1.085;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Aflatoxin B1";MM00914;COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2;OQIQSTLJSLGHID-WNWIJWBNSA-N;312.28;2.28;186907;;;;DOPC;CCM15;25;0;;1.21;;2.677;;5.577;;2.565;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;DOPC;CCM15;25;0;;0.916;;2.42;;5.934;;2.955;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;DOPC;CCM15;25;0;;1.283;;5.406;;4.518;;1.523;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzo[a]pyrene;MM00169;c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34;FMMWHPNWAFZXNH-UHFFFAOYSA-N;252.32;5.74;2336;;;;DOPC;CCM15;25;0;;0.696;;0.154;;9.688;;6.279;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzophenone-3;MM00918;COc1ccc(C(=O)c2ccccc2)c(O)c1;DXGLGDHPHMLXJC-UHFFFAOYSA-N;228.25;2.63;4632;DB01428;;CHEMBL1625;DOPC;CCM15;25;0;;1.063;;2.26;;4.621;;2.59;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benztropine;MM00919;CN1[C@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2;GIJXKZJWITVLHI-YOFSQIOKSA-N;307.44;4.42;1201549;DB00245;CXQ;CHEMBL1201203;DOPC;CCM15;25;0;;0.843;;1.178;;8.74;;4.93;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Alcohol";MM00072;OCc1ccccc1;WVDDGKGOMKODPV-UHFFFAOYSA-N;108.14;1.18;244;DB06770;010;CHEMBL720;DOPC;CCM15;25;0;;1.136;;2.427;;2.672;;1.358;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;DOPC;CCM15;25;0;;0.696;;0.664;;11.91;;6.906;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Betamethasone;MM00920;CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO;UREBDLICKHMUKA-UHFFFAOYSA-N;392.47;1.9;9782;DB00443;;CHEMBL632;DOPC;CCM15;25;0;;1.283;;4.778;;4.757;;1.348;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Betamethasone 17-valerate";MM00921;CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C;SNHRLVCMMWUAJD-SUYDQAKGSA-N;476.59;3.64;16533;;;;DOPC;CCM15;25;0;;1.136;;3.642;;7.536;;2.709;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;DOPC;CCM15;25;0;;0.843;;0.766;;9.162;;5.043;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;DOPC;CCM15;25;0;;1.356;;3.938;;1.4;;0.723;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromochloroacetic Acid";MM00923;O=C(O)C(Cl)Br;GEHJBWKLJVFKPS-UHFFFAOYSA-N;173.39;1.03;542762;;;;DOPC;CCM15;25;0;;1.283;;3.302;;2.495;;1.364;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-bromo-2-chloroacetonitrile;MM00924;N#CC(Cl)Br;BMWPPNAUMLRKML-UHFFFAOYSA-N;154.39;1.47;55004;;;;DOPC;CCM15;25;0;;1.063;;0.678;;2.756;;1.699;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromo(dichloro)methane;MM00925;ClC(Cl)Br;FMWLUWPQPKEARP-UHFFFAOYSA-N;163.83;2.14;6359;;;;DOPC;CCM15;25;0;;0.77;;0.135;;3.894;;2.556;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromoform;MM00027;BrC(Br)Br;DIKBFYAXUHHXCS-UHFFFAOYSA-N;252.73;2.45;5558;DB03054;MBR;CHEMBL345248;DOPC;CCM15;25;0;;0.843;;0.177;;3.982;;2.602;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl P-aminobenzoate";MM00028;CCCCOC(=O)c1ccc(N)cc1;IUWVALYLNVXWKX-UHFFFAOYSA-N;193.25;2.23;2482;DB11148;;CHEMBL127516;DOPC;CCM15;25;0;;0.99;;1.652;;5.016;;2.813;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl 4-hydroxybenzoate";MM00029;CCCCOC(=O)c1ccc(O)cc1;QFOHBWFCKVYLES-UHFFFAOYSA-N;194.23;2.35;7184;;;;DOPC;CCM15;25;0;;0.99;;2.563;;5.681;;3.293;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Catechol;MM00030;Oc1ccccc1O;YCIMNLLNPGFGHC-UHFFFAOYSA-N;110.11;1.1;289;DB02232;CAQ;CHEMBL280998;DOPC;CCM15;25;0;;1.283;;3.45;;2.324;;1.255;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2,2-trichloroethane-1,1-diol;MM00031;OC(O)C(Cl)(Cl)Cl;RNFNDJAIBTYOQL-UHFFFAOYSA-N;165.4;0.67;2707;DB01563;;CHEMBL455917;DOPC;CCM15;25;0;;1.283;;4.745;;2.13;;1.054;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;DOPC;CCM15;25;0;;1.356;;3.889;;1.33;;0.673;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-chloroacetonitrile;MM00033;N#CCCl;RENMDAKOXSCIGH-UHFFFAOYSA-N;75.5;0.75;7856;;;;DOPC;CCM15;25;0;;1.283;;0.984;;1.506;;0.845;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dibromo(chloro)methane;MM00034;ClC(Br)Br;GATVIKZLVQHOMN-UHFFFAOYSA-N;208.28;2.3;31296;;;;DOPC;CCM15;25;0;;0.843;;0.154;;3.935;;2.58;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid";MM00035;CC1=C2C(=COC(C)C2C)C(=O)C(C(=O)O)=C1O;CBGDIJWINPWWJW-UHFFFAOYSA-N;250.25;1.72;54680783;;;;DOPC;CCM15;25;0;;0.916;;0.799;;5.582;;3.076;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;DOPC;CCM15;25;0;;1.136;;1.888;;5.644;;1.758;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;DOPC;CCM15;25;0;;1.063;;1.155;;6.913;;2.478;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortisone;MM00347;CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO;LPYXTAPPNYMYOP-UHFFFAOYSA-N;362.47;1.78;222786;;;;DOPC;CCM15;25;0;;1.283;;3.668;;4.858;;1.292;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione;MM00038;CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O;WTYGAUXICFETTC-UHFFFAOYSA-N;236.27;1.25;5838;;;;DOPC;CCM15;25;0;;1.43;;7.884;;3.921;;1.852;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;MM00928;O=P1(N(CCCl)CCCl)NCCCO1;CMSMOCZEIVJLDB-UHFFFAOYSA-N;261.09;1.88;2907;DB00531;;CHEMBL88;DOPC;CCM15;25;0;;1.063;;1.677;;4.419;;2.081;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cytarabine;MM00929;Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1;UHDGCWIWMRVCDJ-UHFFFAOYSA-N;243.22;-2.56;6253;DB00987;AR3;CHEMBL803;DOPC;CCM15;25;0;;2.016;;13.438;;0.666;;-0.855;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;MM00930;O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12;ZQSIJRDFPHDXIC-UHFFFAOYSA-N;254.24;2.87;5281708;;;;DOPC;CCM15;25;0;;1.283;;4.647;;3.595;;1.957;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane;MM00931;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;FHIVAFMUCKRCQO-UHFFFAOYSA-N;304.35;3.58;3017;;;;DOPC;CCM15;25;0;;0.77;;0.496;;8.75;;4.974;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dibromoacetic Acid";MM00932;O=C(O)C(Br)Br;SIEILFNCEFEENQ-UHFFFAOYSA-N;217.84;1.19;12433;;;;DOPC;CCM15;25;0;;1.21;;2.971;;2.839;;1.6;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dibromoacetonitrile;MM00933;N#CC(Br)Br;NDSBDLSWTGLNQA-UHFFFAOYSA-N;198.85;1.63;18617;;;;DOPC;CCM15;25;0;;1.136;;0.726;;2.674;;1.64;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dichloroacetic Acid";MM00934;O=C(O)C(Cl)Cl;JXTHNDFMNIQAHM-UHFFFAOYSA-N;128.94;0.87;6597;DB08809;TF4;CHEMBL13960;DOPC;CCM15;25;0;;1.21;;1.222;;2.143;;1.224;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dichloroacetonitrile;MM00935;N#CC(Cl)Cl;STZZWJCGRKXEFF-UHFFFAOYSA-N;109.94;1.31;18177;;;;DOPC;CCM15;25;0;;1.063;;0.602;;2.814;;1.749;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;MM00937;CNC(=O)CSP(=S)(OC)OC;MCWXGJITAZMZEV-UHFFFAOYSA-N;229.26;0.98;3082;;;;DOPC;CCM15;25;0;;1.136;;2.487;;3.236;;1.511;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dimethyl Phthalate";MM00938;COC(=O)c1ccccc1C(=O)OC;NIQCNGHVCWTJSM-UHFFFAOYSA-N;194.19;1.26;8554;;;;DOPC;CCM15;25;0;;0.99;;1.335;;4.197;;2.009;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estriol;MM00201;C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O;PROQIPRRNZUXQM-ZXXIGWHRSA-N;288.39;2.58;5756;DB04573;ESL;CHEMBL193482;DOPC;CCM15;25;0;;1.283;;4.913;;3.36;;1.372;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estrone;MM00114;CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O;DNXHEGUUPJUMQT-UHFFFAOYSA-N;270.37;3.82;5870;DB00655;J3Z;CHEMBL1405;DOPC;CCM15;25;0;;0.99;;1.903;;6.059;;3.165;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethacrynic Acid";MM00939;C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl;AVOLMBLBETYQHX-UHFFFAOYSA-N;303.14;3.61;3278;DB00903;EAA;CHEMBL456;DOPC;CCM15;25;0;;1.063;;2.966;;6.059;;3.493;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethoxyethane;MM00936;CCOCC;RTZKZFJDLAIYFH-UHFFFAOYSA-N;74.12;1.04;3283;;;;DOPC;CCM15;25;0;;0.77;;0.242;;3.525;;1.95;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Methoxyethyl Acetate";MM00942;COCCOC(C)=O;XLLIQLLCWZCATF-UHFFFAOYSA-N;118.13;0.2;8054;;;;DOPC;CCM15;25;0;;0.99;;0.746;;2.742;;1.139;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylene Glycol Monopropyl Ether";MM00943;CCCOCCO;YEYKMVJDLWJFOA-UHFFFAOYSA-N;104.15;0.41;17756;;;;DOPC;CCM15;25;0;;1.063;;1.041;;2.853;;1.248;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylhexyl Acrylate";MM00944;C=CC(=O)OCC(CC)CCCC;GOXQRTZXKQZDDN-UHFFFAOYSA-N;184.28;2.93;7636;;;;DOPC;CCM15;25;0;;0.916;;2.15;;7.473;;4.34;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid";MM00946;CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3;NNYBQONXHNTVIJ-UHFFFAOYSA-N;287.36;3.38;3308;DB00749;;CHEMBL622;DOPC;CCM15;25;0;;1.063;;3.674;;6.367;;3.579;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;DOPC;CCM15;25;0;;2.016;;11.103;;1.486;;0.422;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluazifop-butyl;MM00947;CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1;VAIZTNZGPYBOGF-UHFFFAOYSA-N;383.37;5;50897;;;;DOPC;CCM15;25;0;;0.77;;0.516;;10.271;;5.728;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;DOPC;CCM15;25;0;;0.916;;2.038;;7.345;;4.573;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;DOPC;CCM15;25;0;;0.843;;1.3;;9.425;;5.323;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;DOPC;CCM15;25;0;;0.99;;2.337;;6.873;;4.179;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flurbiprofen Glucoside";MM00948;CC(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(-c2ccccc2)c(F)c1;UDHRABHPKDXEHJ-ANEISTKZSA-N;406.41;0.94;;;;;DOPC;CCM15;25;0;;1.283;;6.119;;5.409;;2.674;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flurbiprofen Mannoside";MM00949;CC(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(-c2ccccc2)cc1;MLGXWTASTYOKAK-JTTULHRFSA-N;388.42;0.8;;;;;DOPC;CCM15;25;0;;1.21;;4.826;;5.372;;2.62;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;DOPC;CCM15;25;0;;1.21;;3.904;;3.773;;2.132;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;DOPC;CCM15;25;0;;0.99;;2.317;;8.173;;4.308;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone 21-propionate";MM00871;CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;MRECAIZOMKKXOZ-RPPPWEFESA-N;418.53;2.74;111228;;;;DOPC;CCM15;25;0;;1.283;;4.492;;4.625;;1.014;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,4-diol;MM00951;Oc1ccc(O)cc1;QIGBRXMKCJKVMJ-UHFFFAOYSA-N;110.11;1.1;785;DB09526;HQE;CHEMBL537;DOPC;CCM15;25;0;;1.356;;5.359;;1.723;;0.876;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydroxypregnenolone;MM00952;CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C;JERGUCIJOXJXHF-TVWVXWENSA-N;332.48;3.63;91451;;;;DOPC;CCM15;25;0;;0.99;;1.907;;6.101;;2.51;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Iso-thymol;MM00954;Cc1ccc(C(C)C)cc1O;RECUKUPTGUEGMW-UHFFFAOYSA-N;150.22;2.82;10364;;;;DOPC;CCM15;25;0;;0.916;;1.461;;5.581;;3.369;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;DOPC;CCM15;25;0;;1.21;;2.222;;1.467;;0.475;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;MM00956;CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1;ALFGKMXHOUSVAD-UHFFFAOYSA-N;247.34;2.33;10101;DB06738;;CHEMBL47072;DOPC;CCM15;25;0;;1.063;;3.278;;5.035;;2.512;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;DOPC;CCM15;25;0;;1.063;;3.235;;5.811;;3.076;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid";MM00957;O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O;OZWKMVRBQXNZKK-UHFFFAOYSA-N;255.27;2.29;3826;DB00465;;CHEMBL469;DOPC;CCM15;25;0;;1.063;;3.059;;5.359;;2.94;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;DOPC;CCM15;25;0;;1.796;;6.164;;1.848;;0.882;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Linolenic Acid";MM00959;"CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O";DTOSIQBPPRVQHS-PDBXOOCHSA-N;278.44;5.66;5280934;DB00132;LNL;CHEMBL8739;DOPC;CCM15;25;0;;0.696;;1.027;;11.143;;6.834;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;MM00960;CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O;WLHQHAUOOXYABV-UHFFFAOYSA-N;371.83;2.3;54690031;DB06725;;CHEMBL1569487;DOPC;CCM15;25;0;;0.99;;1.325;;6.403;;3.766;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Methylphenol;MM00208;Cc1cccc(O)c1;RLSSMJSEOOYNOY-UHFFFAOYSA-N;108.14;1.7;342;DB01776;CRS;CHEMBL298312;DOPC;CCM15;25;0;;1.063;;2.365;;3.631;;2.085;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-hexyl-2-pyrrolidone;MM00781;CCCCCCN1CCCC1=O;BAWUFGWWCWMUNU-UHFFFAOYSA-N;169.27;2.19;78555;;;;"SC mix";CCM15;25;0;;1.812;;2.752;;5.687;;3.463;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methoxy-2-propanol;MM00782;COCC(C)O;ARXJGSRGQADJSQ-UHFFFAOYSA-N;90.12;0.01;7900;;;;"SC mix";CCM15;25;0;;2.15;;1.752;;1.273;;0.484;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
17-Hydroxyprogesterone;MM00783;CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C;DBPWSSGDRRHUNT-CEGNMAFCSA-N;330.47;3.84;6238;;;;"SC mix";CCM15;25;0;;1.981;;2.453;;4.796;;2.672;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1-dichloropropanone;MM00785;CC(=O)C(Cl)Cl;CSVFWMMPUJDVKH-UHFFFAOYSA-N;126.97;1.38;10567;;;;"SC mix";CCM15;25;0;;1.981;;0.861;;2.43;;1.467;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,1-Trichloroethane;MM00786;CC(Cl)(Cl)Cl;UOCLXMDMGBRAIB-UHFFFAOYSA-N;133.41;2.38;6278;;;;"SC mix";CCM15;25;0;;1.644;;0.156;;4.812;;3.384;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,1-trichloropropanone;MM00787;CC(=O)C(Cl)(Cl)Cl;SMZHKGXSEAGRTI-UHFFFAOYSA-N;161.42;1.95;13514;;;;"SC mix";CCM15;25;0;;1.728;;0.29;;4.401;;3.032;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2,4-Benzenetriol;MM00992;Oc1ccc(O)c(O)c1;GGNQRNBDZQJCCN-UHFFFAOYSA-N;126.11;0.8;10787;;;;"SC mix";CCM15;25;0;;2.655;;7.033;;0.34;;-0.422;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Acetylaminofluorene;MM00789;CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2;CZIHNRWJTSTCEX-UHFFFAOYSA-N;223.28;3.22;5897;;;;"SC mix";CCM15;25;0;;1.981;;3.5;;5.183;;3.036;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Amino-4-Nitrophenol;MM00790;Nc1cc([N+](=O)[O-])ccc1O;VLZVIIYRNMWPSN-UHFFFAOYSA-N;154.13;0.88;3613389;;;;"SC mix";CCM15;25;0;;2.234;;6.006;;0.994;;0.243;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butanone;MM00791;CCC(C)=O;ZWEHNKRNPOVVGH-UHFFFAOYSA-N;72.11;0.99;6569;;;;"SC mix";CCM15;25;0;;1.981;;0.888;;2.052;;1.174;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Chlorophenol;MM00219;Oc1ccccc1Cl;ISPYQTSUDJAMAB-UHFFFAOYSA-N;128.56;2.05;7245;DB03110;2CH;CHEMBL108877;"SC mix";CCM15;25;0;;1.981;;0.691;;3.291;;2.09;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Ethoxyethanol;MM00792;CCOCCO;ZNQVEEAIQZEUHB-UHFFFAOYSA-N;90.12;0.02;8076;DB02249;ETX;CHEMBL119596;"SC mix";CCM15;25;0;;2.15;;1.793;;1.304;;0.496;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthol;MM00793;Oc1ccc2ccccc2c1;JWAZRIHNYRIHIV-UHFFFAOYSA-N;144.17;2.55;8663;;;CHEMBL14126;"SC mix";CCM15;25;0;;1.981;;2.844;;3.965;;2.216;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenylethanol;MM00794;OCCc1ccccc1;WRMNZCZEMHIOCP-UHFFFAOYSA-N;122.17;1.22;6054;DB02192;PEL;CHEMBL448500;"SC mix";CCM15;25;0;;1.981;;1.613;;3.283;;1.854;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(2-Butoxyethoxy)ethyl Acetate";MM00795;CCCCOCCOCCOC(C)=O;VXQBJTKSVGFQOL-UHFFFAOYSA-N;204.27;1.38;31288;;;;"SC mix";CCM15;25;0;;1.728;;1.404;;3.717;;2.161;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Nitro-P-phenylenediamine;MM00797;Nc1cccc([N+](=O)[O-])c1N;IOCXBXZBNOYTLQ-UHFFFAOYSA-N;153.14;0.76;4359525;;;;"SC mix";CCM15;25;0;;2.403;;2.878;;0.917;;0.195;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-butanediol;MM00798;CC(O)C(C)O;OWBTYPJTUOEWEK-UHFFFAOYSA-N;90.12;-0.25;262;;;;"SC mix";CCM15;25;0;;2.318;;4.432;;0.717;;-0.08;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dichloroacetophenone;MM00799;CC(=O)c1ccc(Cl)cc1Cl;XMCRWEBERCXJCH-UHFFFAOYSA-N;189.04;3.2;16693;;;;"SC mix";CCM15;25;0;;1.728;;0.419;;5.31;;3.616;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dichlorophenol;MM00800;Oc1ccc(Cl)cc1Cl;HFZWRUODUSTPEG-UHFFFAOYSA-N;163;2.7;8449;;;;"SC mix";CCM15;25;0;;1.897;;0.358;;4.636;;3.194;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dinitrochlorobenzene;MM00801;O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1;VYZAHLCBVHPDDF-UHFFFAOYSA-N;202.55;2.16;6;DB11831;;CHEMBL292687;"SC mix";CCM15;25;0;;1.981;;0.8;;4.047;;2.599;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4,6-trichlorophenol;MM00224;Oc1c(Cl)cc(Cl)cc1Cl;LINPIYWFGCPVIE-UHFFFAOYSA-N;197.45;3.35;6914;;;CHEMBL309917;"SC mix";CCM15;25;0;;1.812;;0.312;;5.461;;3.797;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4'-Dichloroacetophenone;MM00803;O=C(CCl)c1ccc(Cl)cc1;FWDFNLVLIXAOMX-UHFFFAOYSA-N;189.04;2.76;70298;;;;"SC mix";CCM15;25;0;;1.897;;0.753;;4.201;;2.75;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,5-Diaminotoluene;MM00804;Cc1cc(N)ccc1N;OBCSAIDCZQSFQH-UHFFFAOYSA-N;122.17;1.16;7252;;;;"SC mix";CCM15;25;0;;2.15;;1.961;;1.064;;0.389;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Nitrophenol;MM00225;O=[N+]([O-])c1cccc(O)c1;RTZZCYNQPHTPPL-UHFFFAOYSA-N;139.11;1.3;11137;;;;"SC mix";CCM15;25;0;;2.065;;4.26;;2.313;;1.072;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(3-Methoxypropoxy)propan-1-ol;MM00805;COCCCOCCCO;QCAHUFWKIQLBNB-UHFFFAOYSA-N;148.2;0.42;66984;;;;"SC mix";CCM15;25;0;;2.15;;3.705;;1.863;;0.797;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3,4-Xylenol;MM00806;Cc1ccc(O)cc1C;YCOXTKKNXUZSKD-UHFFFAOYSA-N;122.17;2.01;7249;DB04052;2MP;CHEMBL192008;"SC mix";CCM15;25;0;;1.981;;2.36;;3.672;;2.033;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Amino-3-Nitrophenol;MM00808;Nc1ccc(O)cc1[N+](=O)[O-];IQXUIDYRTHQTET-UHFFFAOYSA-N;154.13;0.88;3758882;;;;"SC mix";CCM15;25;0;;2.487;;4.954;;0.92;;0.208;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Aminophenol;MM00809;Nc1ccc(O)cc1;PLIKAWJENQZMHA-UHFFFAOYSA-N;109.13;0.97;403;;;;"SC mix";CCM15;25;0;;2.318;;3.725;;0.631;;-0.035;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-bromophenol;MM00158;Oc1ccc(Br)cc1;GZFGOTFRPZRKDS-UHFFFAOYSA-N;173.01;2.15;7808;;;CHEMBL57284;"SC mix";CCM15;25;0;;1.981;;3.143;;3.373;;1.801;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-BromophenylIsocyanate;MM00810;O=C=Nc1ccc(Br)cc1;CZQIJQFTRGDODI-UHFFFAOYSA-N;198.02;2.42;75609;;;;"SC mix";CCM15;25;0;;1.644;;0.201;;5.953;;4.175;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Chloroaniline;MM00811;Nc1ccc(Cl)cc1;QSNSCYSYFYORTR-UHFFFAOYSA-N;127.57;1.92;7812;;;;"SC mix";CCM15;25;0;;1.981;;1.411;;3.357;;1.93;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Chlorobutyric Acid";MM00812;O=C(O)CCCCl;IPLKGJHGWCVSOG-UHFFFAOYSA-N;122.55;1.09;12300;;;;"SC mix";CCM15;25;0;;2.15;;3.409;;2.143;;0.957;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Chlorocresol;MM00813;Cc1cc(O)ccc1Cl;CFKMVGJGLGKFKI-UHFFFAOYSA-N;142.59;2.35;1732;;;;"SC mix";CCM15;25;0;;1.981;;1.922;;3.9;;2.207;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chlorophenol;MM00157;Oc1ccc(Cl)cc1;WXNZTHHGJRFXKQ-UHFFFAOYSA-N;128.56;2.05;4684;DB13154;4CH;CHEMBL57053;"SC mix";CCM15;25;0;;1.981;;3.11;;3.351;;1.78;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Ethylphenol;MM00153;CCc1ccc(O)cc1;HXDOZKJGKXYMEW-UHFFFAOYSA-N;122.17;1.95;31242;;;CHEMBL108475;"SC mix";CCM15;25;0;;1.981;;2.555;;3.758;;2.09;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylvaleric Acid";MM00814;CC(C)CCC(=O)O;FGKJLKRYENPLQH-UHFFFAOYSA-N;116.16;1.51;12587;DB03993;4MV;CHEMBL1230308;"SC mix";CCM15;25;0;;2.065;;3.228;;3.337;;1.794;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Nitro-o-Phenylenediamine;MM00818;Nc1ccc([N+](=O)[O-])cc1N;RAUWPNXIALNKQM-UHFFFAOYSA-N;153.14;0.76;5111791;;;;"SC mix";CCM15;25;0;;2.571;;4.817;;0.499;;-0.181;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Nitrophenol;MM00819;O=[N+]([O-])c1ccc(O)cc1;BTJIUGUIPKRLHP-UHFFFAOYSA-N;139.11;1.3;980;DB04417;NPO;CHEMBL14130;"SC mix";CCM15;25;0;;2.065;;4.637;;2.055;;0.915;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Tolunitrile;MM00820;Cc1ccc(C#N)cc1;VCZNNAKNUVJVGX-UHFFFAOYSA-N;117.15;1.87;7724;;;;"SC mix";CCM15;25;0;;1.897;;0.71;;3.89;;2.49;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-amino-2-nitrophenol;MM00821;Nc1ccc(O)c([N+](=O)[O-])c1;WHODQVWERNSQEO-UHFFFAOYSA-N;154.13;0.88;3417419;;;;"SC mix";CCM15;25;0;;2.065;;1.848;;1.919;;0.933;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-m-phenylenediamine;MM00822;Nc1ccc(Cl)c(N)c1;ZWUBBMDHSZDNTA-UHFFFAOYSA-N;142.59;1.5;21209;;;;"SC mix";CCM15;25;0;;2.065;;2.024;;1.757;;0.765;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-o-phenylenediamine;MM00823;Nc1ccc(Cl)cc1N;BXIXXXYDDJVHDL-UHFFFAOYSA-N;142.59;1.5;7263;;;;"SC mix";CCM15;25;0;;2.15;;2.918;;1.965;;0.812;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-cyanophenol;MM00231;N#Cc1ccc(O)cc1;CVNOWLNNPYYEOH-UHFFFAOYSA-N;119.12;1.26;13019;;;;"SC mix";CCM15;25;0;;2.15;;4.504;;1.827;;0.748;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-hydroxybenzyl Alcohol";MM00824;OCc1ccc(O)cc1;BVJSUAQZOZWCKN-UHFFFAOYSA-N;124.14;0.88;125;;;;"SC mix";CCM15;25;0;;2.318;;5.665;;0.97;;0.128;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxyphenylacetamide;MM00825;NC(=O)Cc1ccc(O)cc1;YBPAYPRLUDCSEY-UHFFFAOYSA-N;151.17;0.42;86986;;;;"SC mix";CCM15;25;0;;2.318;;7.878;;0.943;;0.046;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-hydroxyphenylacetic Acid";MM00826;O=C(O)Cc1ccc(O)cc1;XQXPVVBIMDBYFF-UHFFFAOYSA-N;152.15;1.02;127;;;;"SC mix";CCM15;25;0;;2.234;;6.492;;1.418;;0.399;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-propoxyphenol;MM00827;CCCOc1ccc(O)cc1;KIIIPQXXLVCCQP-UHFFFAOYSA-N;152.19;2.18;29352;;;;"SC mix";CCM15;25;0;;1.897;;2.546;;4.016;;2.32;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4,4'-methylenedianiline;MM00828;Nc1ccc(Cc2ccc(N)cc2)cc1;YBRVSVVVWCFQMG-UHFFFAOYSA-N;198.27;2.44;7577;;;;"SC mix";CCM15;25;0;;1.897;;1.806;;3.146;;1.77;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-Fluorouracil;MM00829;O=c1[nH]cc(F)c(=O)[nH]1;GHASVSINZRGABV-UHFFFAOYSA-N;130.08;-0.8;3385;DB00544;URF;CHEMBL185;"SC mix";CCM15;25;0;;2.487;;9.796;;0.543;;-0.379;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;"SC mix";CCM15;25;0;;2.487;;7.936;;0.833;;-0.247;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Methylcoumarin;MM00830;Cc1ccc2oc(=O)ccc2c1;FXFYOPQLGGEACP-UHFFFAOYSA-N;160.17;2.1;7092;;;;"SC mix";CCM15;25;0;;1.897;;1.572;;4.195;;2.507;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-ethoxycoumarin;MM00831;CCOc1ccc2ccc(=O)oc2c1;LIFAQMGORKPVDH-UHFFFAOYSA-N;190.2;2.19;35703;;;;"SC mix";CCM15;25;0;;1.897;;1.684;;4.736;;2.869;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-phenylethanone;MM00832;CC(=O)c1ccccc1;KWOLFJPFCHCOCG-UHFFFAOYSA-N;120.15;1.89;7410;DB04619;AC0;CHEMBL274467;"SC mix";CCM15;25;0;;1.897;;1.018;;3.447;;2.094;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;"SC mix";CCM15;25;0;;2.15;;3.906;;2.355;;1.15;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;"SC mix";CCM15;25;0;;2.318;;5.096;;2.839;;0.795;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;MM00833;CCC1(CCC(C)C)C(=O)NC(=O)NC1=O;VIROVYVQCGLCII-UHFFFAOYSA-N;226.28;1.19;2164;DB01351;;CHEMBL267894;"SC mix";CCM15;25;0;;2.234;;7.115;;2.736;;1.236;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;"SC mix";CCM15;25;0;;1.981;;1.134;;2.486;;1.402;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Anisole;MM00834;COc1ccccc1;RDOXTESZEPMUJZ-UHFFFAOYSA-N;108.14;1.7;7519;;;;"SC mix";CCM15;25;0;;1.728;;0.302;;4.437;;3.039;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;"SC mix";CCM15;25;0;;2.571;;7.611;;0.435;;-0.505;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate";MM00779;CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2;RKUNBYITZUJHSG-UHFFFAOYSA-N;289.38;1.93;174174;DB00572;OIN;CHEMBL517712;"SC mix";CCM15;25;0;;2.065;;2.598;;4.041;;2.26;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5,5-diethyl-1,3-diazinane-2,4,6-trione;MM00836;CCC1(CC)C(=O)NC(=O)NC1=O;FTOAOBMCPZCFFF-UHFFFAOYSA-N;184.2;0.16;2294;DB01483;;CHEMBL444;"SC mix";CCM15;25;0;;2.318;;7.595;;1.178;;0.131;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzaldehyde;MM00837;O=Cc1ccccc1;HUMNYLRZRPPJDN-UHFFFAOYSA-N;106.12;1.5;240;;;;"SC mix";CCM15;25;0;;1.897;;0.907;;3.195;;1.954;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene;MM00129;c1ccccc1;UHOVQNZJYSORNB-UHFFFAOYSA-N;78.11;1.69;241;;BNZ;CHEMBL277500;"SC mix";CCM15;25;0;;1.728;;0.195;;4.358;;3.045;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;"SC mix";CCM15;25;0;;2.065;;3.538;;2.741;;1.38;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diphenylmethanone;MM00838;O=C(c1ccccc1)c1ccccc1;RWCCWEUUXYIKHB-UHFFFAOYSA-N;182.22;2.92;3102;DB01878;BZQ;CHEMBL90039;"SC mix";CCM15;25;0;;1.812;;0.97;;5.27;;3.365;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Bromide";MM00840;BrCc1ccccc1;AGEZXYOZHKGVCM-UHFFFAOYSA-N;171.04;2.58;7498;;;;"SC mix";CCM15;25;0;;1.728;;0.291;;4.896;;3.368;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(E)-4-phenylbut-3-en-2-one;MM00841;CC(=O)/C=C/c1ccccc1;BWHOZHOGCMHOBV-BQYQJAHWSA-N;146.19;2.29;637759;;;;"SC mix";CCM15;25;0;;1.897;;1.702;;4.204;;2.506;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Nicotinate";MM00842;O=C(OCc1ccccc1)c1cccnc1;KVYGGMBOZFWZBQ-UHFFFAOYSA-N;213.24;2.44;7191;;;CHEMBL209744;"SC mix";CCM15;25;0;;1.897;;1.775;;5.394;;3.339;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Boric Acid";MM00843;OB(O)O;KGBXLFKZBHKPEV-UHFFFAOYSA-N;61.83;-2.05;7628;DB11326;BO3;CHEMBL42403;"SC mix";CCM15;25;0;;2.908;;8.994;;0.22;;-1.475;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;"SC mix";CCM15;25;0;;2.065;;2.603;;2.335;;1.123;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione;MM00844;CCCCC1(CC)C(=O)NC(=O)NC1=O;STDBAQMTJLUMFW-UHFFFAOYSA-N;212.25;0.94;6473;DB01353;;CHEMBL404422;"SC mix";CCM15;25;0;;2.234;;7.191;;2.399;;0.987;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl Nicotinate";MM00845;CCCCOC(=O)c1cccnc1;DQULIMIQTCDUAN-UHFFFAOYSA-N;179.22;2.04;81353;;;;"SC mix";CCM15;25;0;;1.812;;1.691;;4.97;;3.018;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;"SC mix";CCM15;25;0;;2.15;;3.45;;2.009;;0.882;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;"SC mix";CCM15;25;0;;2.234;;2.7;;1.436;;0.329;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-chloro-3,5-dimethylphenol;MM00846;Cc1cc(O)cc(C)c1Cl;OSDLLIBGSJNGJE-UHFFFAOYSA-N;156.61;2.66;2723;DB11121;;CHEMBL398440;"SC mix";CCM15;25;0;;1.981;;2.764;;4.42;;2.528;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;"SC mix";CCM15;25;0;;1.812;;1.413;;7.121;;4.537;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-chloro-3H-1,3-benzoxazol-2-one;MM00041;O=c1[nH]c2cc(Cl)ccc2o1;TZFWDZFKRBELIQ-UHFFFAOYSA-N;169.57;1.77;2733;;;;"SC mix";CCM15;25;0;;2.15;;4.53;;3.504;;1.822;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(E)-3-phenylprop-2-enal;MM00847;O=C/C=C/c1ccccc1;KJPRLNWUNMBNBZ-QPJJXVBHSA-N;132.16;1.9;637511;;;;"SC mix";CCM15;25;0;;1.981;;1.568;;3.957;;2.339;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cinnamic Acid";MM00848;O=C(O)C=Cc1ccccc1;WBYWAXJHAXSJNI-UHFFFAOYSA-N;148.16;1.78;444539;;;;"SC mix";CCM15;25;0;;2.065;;3.578;;3.498;;1.934;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cinnamyl Alcohol";MM00849;OC/C=C/c1ccccc1;OOCCDEMITAIZTP-QPJJXVBHSA-N;134.18;1.69;5315892;;;;"SC mix";CCM15;25;0;;1.981;;2.622;;3.925;;2.178;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;"SC mix";CCM15;25;0;;1.897;;2.136;;4.596;;2.642;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;"SC mix";CCM15;25;0;;2.15;;5.087;;3.707;;1.54;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;"SC mix";CCM15;25;0;;1.981;;1.496;;3.444;;2.003;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Cyclophosphamide Monohydrate";MM00850;O.O=P1(N(CCCl)CCCl)NCCCO1;PWOQRKCAHTVFLB-UHFFFAOYSA-N;279.1;1.06;22420;;;;"SC mix";CCM15;25;0;;2.065;;2.245;;3.493;;1.928;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;"SC mix";CCM15;25;0;;2.15;;4.315;;2.874;;1.445;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D8-tetrahydrocannabinol;MM00852;CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21;HCAWPGARWVBULJ-UHFFFAOYSA-N;314.47;5.74;2977;;;;"SC mix";CCM15;25;0;;1.812;;1.553;;9.745;;6.332;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Decan-1-ol;MM00853;CCCCCCCCCCO;MWKFXSUHUHTGQN-UHFFFAOYSA-N;158.29;3.12;8174;;;;"SC mix";CCM15;25;0;;1.812;;2.533;;7.084;;4.487;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;"SC mix";CCM15;25;0;;2.234;;5.63;;2.694;;1.12;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;"SC mix";CCM15;25;0;;1.897;;4.057;;6.42;;3.866;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-4-methylpiperazine-1-carboxamide;MM00854;CCN(CC)C(=O)N1CCN(C)CC1;RCKMWOKWVGPNJF-UHFFFAOYSA-N;199.3;0.7;3052;DB00711;;CHEMBL684;"SC mix";CCM15;25;0;;1.897;;3.351;;3.709;;1.992;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethylene Glycol Butyl Ether";MM00855;CCCCOCCOCCOCCCC;KZVBBTZJMSWGTK-UHFFFAOYSA-N;218.34;2.64;8177;;;;"SC mix";CCM15;25;0;;1.897;;1.254;;3.108;;1.79;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethyl Maleate";MM00856;"CCOC(=O)/C=C\C(=O)OCC";IEPRKVQEAMIZSS-WAYWQWQTSA-N;172.18;0.67;5271566;;;;"SC mix";CCM15;25;0;;2.318;;7.27;;2.36;;1.049;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Digitoxin;MM00857;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;WDJUZGPOPHTGOT-UHFFFAOYSA-N;764.95;3.25;441207;DB01396;;CHEMBL254219;"SC mix";CCM15;25;0;;2.15;;6.465;;5.563;;3.042;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dihydromorphine;MM00858;CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5;IJVCSMSMFSCRME-KBQPJGBKSA-N;287.36;1.42;5359421;DB01565;;CHEMBL1500;"SC mix";CCM15;25;0;;2.065;;3.801;;3.2;;1.615;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethylethanamine;MM00859;CCN(C)C;DAZXVJBJRMWXJP-UHFFFAOYSA-N;73.14;0.57;11723;;;;"SC mix";CCM15;25;0;;1.812;;1.326;;3.509;;2.077;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Propylideneoctanoic Acid";MM00860;CCC=C(CCCCCC)C(=O)O;WAYFJTUZNWOHQH-UHFFFAOYSA-N;184.28;3.38;54421236;;;;"SC mix";CCM15;25;0;;1.812;;2.684;;6.496;;4.018;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;"SC mix";CCM15;25;0;;1.981;;3.258;;3.809;;2.083;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;"SC mix";CCM15;25;0;;2.065;;3.066;;4.2;;2.398;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;"SC mix";CCM15;25;0;;2.15;;2.659;;0.875;;0.149;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl 4-aminobenzoate";MM00043;CCOC(=O)c1ccc(N)cc1;BLFLLBZGZJTVJG-UHFFFAOYSA-N;165.19;1.45;2337;;;;"SC mix";CCM15;25;0;;1.981;;2.275;;2.75;;1.461;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethylbenzene;MM00861;CCc1ccccc1;YNQLUTRBYVCPMQ-UHFFFAOYSA-N;106.17;2.25;7500;;;;"SC mix";CCM15;25;0;;1.644;;0.167;;5.842;;4.086;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl Nicotinate";MM00862;CCOC(=O)c1cccnc1;XBLVHTDFJBKJLG-UHFFFAOYSA-N;151.17;1.26;69188;;;;"SC mix";CCM15;25;0;;1.897;;1.777;;3.374;;1.913;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Etorphine;MM00863;CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5;CAHCBJPUTCKATP-FAWZKKEFSA-N;411.54;3.16;644209;DB01497;;;"SC mix";CCM15;25;0;;1.812;;2.781;;6.108;;3.693;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;"SC mix";CCM15;25;0;;1.812;;1.804;;7.795;;5.022;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluocinonide;MM00864;CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C;WJOHZNCJWYWUJD-IUGZLZTKSA-N;494.53;2.94;9642;DB01047;;CHEMBL1501;"SC mix";CCM15;25;0;;2.065;;4.848;;3.643;;1.705;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;"SC mix";CCM15;25;0;;;;;;;;252.566;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2E)-3,7-dimethylocta-2,6-dien-1-ol;MM00865;CC(C)=CCC/C(C)=C/CO;GLZPCOQZEFWAFX-JXMROGBWSA-N;154.25;2.67;637566;;;;"SC mix";CCM15;25;0;;1.897;;2.519;;5.567;;3.335;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;"SC mix";CCM15;25;0;;1.897;;3.255;;5.828;;3.376;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Heptanoic Acid";MM00653;CCCCCCC(=O)O;MNWFXJYAOYHMED-UHFFFAOYSA-N;130.19;2.04;8094;DB02938;SHV;CHEMBL320358;"SC mix";CCM15;25;0;;1.981;;3.051;;4.093;;2.34;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Heptan-1-ol;MM00866;CCCCCCCO;BBMCTIGTTCKYKF-UHFFFAOYSA-N;116.2;1.95;8129;;;;"SC mix";CCM15;25;0;;1.897;;2.608;;4.74;;2.802;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;"SC mix";CCM15;25;0;;2.065;;3.127;;3.352;;1.817;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hexan-1-ol;MM00868;CCCCCCO;ZSIAUFGUXNUGDI-UHFFFAOYSA-N;102.18;1.56;8103;;;;"SC mix";CCM15;25;0;;1.981;;2.595;;3.92;;2.223;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hexyl Nicotinate";MM00869;CCCCCCOC(=O)c1cccnc1;RVYGVBZGSFLJKH-UHFFFAOYSA-N;207.27;2.82;90202;;;;"SC mix";CCM15;25;0;;1.812;;1.642;;6.548;;4.149;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Histidine;MM00749;N[C@@H](Cc1cnc[nH]1)C(=O)O;HNDVDQJCIGZPNO-YFKPBYRVSA-N;155.16;-0.64;6274;DB00117;HIS;CHEMBL17962;"SC mix";CCM15;25;0;;2.571;;10.213;;0.337;;-0.517;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;"SC mix";CCM15;25;0;;2.234;;4.861;;2.704;;0.924;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone 6-hydroxyhexanoate";MM00872;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCO;YUFRCVRCAXAMAD-FOMYWIRZSA-N;476.61;2.89;21116188;;;;"SC mix";CCM15;25;0;;2.15;;5.902;;3.016;;1.327;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone N,N-dimethylsuccinamate";MM00873;CN(C)C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C;GTCKMDDVRMAXDO-UHFFFAOYSA-N;489.61;2.2;101125086;;;;"SC mix";CCM15;25;0;;2.318;;5.753;;2.99;;1.413;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Caproate";MM00874;CCCCCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C;XZSVYVIYKBHVMV-UHFFFAOYSA-N;460.61;3.91;107423;;;;"SC mix";CCM15;25;0;;1.897;;3.402;;6.019;;3.576;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Hemisuccinate";MM00875;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O;VWQWXZAWFPZJDA-CGVGKPPMSA-N;462.54;2.2;16623;;;;"SC mix";CCM15;25;0;;2.403;;6.56;;2.57;;1.045;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Octanoate";MM00876;CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;VWVPRYMOFYIOOZ-KAQKJVHQSA-N;488.67;4.69;94330;;;;"SC mix";CCM15;25;0;;1.812;;3.035;;7.591;;4.752;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Pimelamate";MM00877;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCC(N)=O;XIFOOZGYYROQTN-AYVLZSQQSA-N;503.64;2.77;101127492;;;;"SC mix";CCM15;25;0;;2.065;;7.63;;2.817;;1.33;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone Succinamate";MM00878;C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(N)=O;WHLKBSQDHLLPMO-CGVGKPPMSA-N;461.56;1.6;101127490;;;;"SC mix";CCM15;25;0;;2.403;;9.023;;2.529;;0.876;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydromorphone;MM00879;CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5;WVLOADHCBXTIJK-YNHQPCIGSA-N;285.34;1.63;5284570;DB00327;;CHEMBL398707;"SC mix";CCM15;25;0;;2.234;;4.738;;2.605;;1.154;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-methylimidazo[4,5-f]quinolin-2-amine;MM00880;Cn1c(N)nc2c3cccnc3ccc21;ARZWATDYIYAUTA-UHFFFAOYSA-N;198.23;1.7;53462;;;;"SC mix";CCM15;25;0;;2.15;;5.955;;1.828;;0.725;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;"SC mix";CCM15;25;0;;1.897;;2.961;;6.003;;3.626;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;"SC mix";CCM15;25;0;;1.897;;3.801;;6.165;;3.722;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methoxy-4-[(E)-prop-1-enyl]phenol;MM00881;C/C=C/c1ccc(O)c(OC)c1;BJIOGJUNALELMI-ONEGZZNKSA-N;164.2;2.43;853433;;;;"SC mix";CCM15;25;0;;1.812;;0.568;;4.802;;3.182;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isoquinoline;MM00882;c1ccc2cnccc2c1;AWJUIBRHMBBTKR-UHFFFAOYSA-N;129.16;2.23;8405;DB04329;ISQ;CHEMBL12315;"SC mix";CCM15;25;0;;1.812;;2.019;;4.214;;2.476;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-alanyl-L-tryptophan;MM00883;CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O;WUGMRIBZSVSJNP-UHFFFAOYSA-N;275.31;0.63;85362;;;;"SC mix";CCM15;25;0;;2.318;;8.48;;1.826;;0.695;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;"SC mix";CCM15;25;0;;1.812;;1.965;;5.825;;3.582;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;"SC mix";CCM15;25;0;;2.403;;6.471;;1.3;;0.231;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;"SC mix";CCM15;25;0;;3.667;;10.256;;0.487;;-3.234;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;"SC mix";CCM15;25;0;;1.812;;1.433;;5.861;;3.63;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;"SC mix";CCM15;25;0;;2.318;;3.03;;0.408;;-0.226;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Methanesulfonate";MM00885;COS(C)(=O)=O;MBABOKRGFJTBAE-UHFFFAOYSA-N;110.13;-0.41;4156;;;;"SC mix";CCM15;25;0;;2.065;;1.032;;1.622;;0.855;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Nicotinate";MM00886;COC(=O)c1cccnc1;YNBADRVTZLEFNH-UHFFFAOYSA-N;137.14;0.87;7151;DB13882;;CHEMBL379845;"SC mix";CCM15;25;0;;1.981;;1.823;;2.606;;1.389;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;"SC mix";CCM15;25;0;;2.15;;4.255;;2.87;;1.443;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-nitroso-N-methyldodecylamine;MM00887;CCCCCCCCCCCCN(C)N=O;QPUKANZXOGADOB-UHFFFAOYSA-N;228.38;4.52;41320;;;;"SC mix";CCM15;25;0;;1.307;;0.141;;10.561;;7.413;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Octylazepan-2-one;MM00888;CCCCCCCCN1CCCCCC1=O;VKAMZEDHHWTTNZ-UHFFFAOYSA-N;225.38;3.75;2754067;;;;"SC mix";CCM15;25;0;;1.728;;2.426;;7.867;;4.999;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-m-toluamide;MM00889;CCN(CC)C(=O)c1cccc(C)c1;MMOXZBCLCQITDF-UHFFFAOYSA-N;191.27;2.48;4284;;;;"SC mix";CCM15;25;0;;1.812;;2.272;;5.236;;3.121;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naphthalene;MM00890;c1ccc2ccccc2c1;UFWIBTONFRDIAS-UHFFFAOYSA-N;128.17;2.84;931;;;;"SC mix";CCM15;25;0;;1.728;;0.321;;5.897;;4.058;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;"SC mix";CCM15;25;0;;1.897;;3.413;;5.187;;3.055;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(pyridine-3-carbonylamino)ethyl nitrate";MM00891;O=C(NCCO[N+](=O)[O-])c1cccnc1;LBHIOVVIQHSOQN-UHFFFAOYSA-N;211.18;0.02;47528;DB09220;;CHEMBL284906;"SC mix";CCM15;25;0;;2.15;;3.4;;2.784;;1.375;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;"SC mix";CCM15;25;0;;1.812;;1.924;;4.549;;2.707;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Nicotinic Acid";MM00892;O=C(O)c1cccnc1;PVNIIMVLHYAWGP-UHFFFAOYSA-N;123.11;0.78;938;DB00627;NIO;CHEMBL573;"SC mix";CCM15;25;0;;2.234;;5.078;;1.51;;0.536;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nitrobenzene;MM00136;O=[N+]([O-])c1ccccc1;LQNUZADURLCDLV-UHFFFAOYSA-N;123.11;1.59;7416;;;;"SC mix";CCM15;25;0;;1.897;;0.538;;3.481;;2.289;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propane-1,2,3-triyl trinitrate";MM00893;O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-];SNIOPGDIGTZGOP-UHFFFAOYSA-N;227.09;-1.02;4510;DB00727;TNG;CHEMBL730;"SC mix";CCM15;25;0;;1.981;;1.693;;4.258;;2.509;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nonan-1-ol;MM00894;CCCCCCCCCO;ZWRUINPWMLAQRD-UHFFFAOYSA-N;144.26;2.73;8914;DB03143;F09;CHEMBL24563;"SC mix";CCM15;25;0;;1.812;;2.538;;6.271;;3.907;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octanoic Acid";MM00676;CCCCCCCC(=O)O;WWZKQHOCKIZLMA-UHFFFAOYSA-N;144.21;2.43;379;DB04519;OCA;CHEMBL324846;"SC mix";CCM15;25;0;;1.981;;3.012;;4.843;;2.878;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Octan-1-ol;MM00895;CCCCCCCCO;KBPLFHHGFOOTCA-UHFFFAOYSA-N;130.23;2.34;957;DB12452;OC9;CHEMBL26215;"SC mix";CCM15;25;0;;1.897;;2.568;;5.537;;3.371;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ouabain;MM00896;CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O;LPMXVESGRSUGHW-UHFFFAOYSA-N;584.66;-1.52;439501;DB01092;OBN;CHEMBL222863;"SC mix";CCM15;25;0;;2.571;;18.246;;1.065;;-0.531;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxazolone;MM00897;CCOC=C1N=C(c2ccccc2)OC1=O;SJHPCNCNNSSLPL-UHFFFAOYSA-N;217.22;1.87;1712094;;;;"SC mix";CCM15;25;0;;1.897;;1.566;;4.804;;2.91;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Aminobenzoic Acid";MM00046;Nc1ccc(C(=O)O)cc1;ALYNCZNDIQEVRV-UHFFFAOYSA-N;137.14;0.97;978;;;;"SC mix";CCM15;25;0;;2.318;;5.14;;0.991;;0.195;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine;MM00898;Cn1c(N)nc2ncc(-c3ccccc3)cc21;UQVKZNNCIHJZLS-UHFFFAOYSA-N;224.27;2.22;1530;DB08398;PIQ;CHEMBL1213271;"SC mix";CCM15;25;0;;2.15;;10.013;;3.865;;2.127;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Pentanoic Acid";MM00900;[13CH3][13CH2][13CH2]CC(=O)O;NQPDZGIKBAWPEJ-VMIGTVKRSA-N;105.11;1.26;71309430;;;;"SC mix";CCM15;25;0;;2.065;;3.206;;2.637;;1.313;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pentan-1-ol;MM00901;CCCCCO;AMQJEAYHLZJPGS-UHFFFAOYSA-N;88.15;1.17;6276;;;;"SC mix";CCM15;25;0;;1.981;;2.582;;3.123;;1.669;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;CCC1(c2ccccc2)C(=O)NC(=O)NC1=O;DDBREPKUVSBGFI-UHFFFAOYSA-N;232.24;0.7;4763;DB01174;;CHEMBL40;"SC mix";CCM15;25;0;;2.234;;7.722;;2.142;;0.823;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenol;MM00206;Oc1ccccc1;ISWSIDIOOBJBQZ-UHFFFAOYSA-N;94.11;1.39;996;DB03255;IPH;CHEMBL14060;"SC mix";CCM15;25;0;;2.065;;2.734;;2.511;;1.201;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;"SC mix";CCM15;25;0;;1.897;;1.734;;4.394;;2.659;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;"SC mix";CCM15;25;0;;1.897;;2.124;;5.887;;3.407;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;"SC mix";CCM15;25;0;;2.15;;2.624;;1.586;;0.624;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;"SC mix";CCM15;25;0;;1.981;;2.053;;5.484;;3.324;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;"SC mix";CCM15;25;0;;2.318;;6.788;;1.371;;0.491;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Resorcinol;MM00903;Oc1cccc(O)c1;GHMLBKRAJCXXBS-UHFFFAOYSA-N;110.11;1.1;5054;DB11085;RCO;CHEMBL24147;"SC mix";CCM15;25;0;;2.318;;5.638;;1.008;;0.145;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;"SC mix";CCM15;25;0;;2.065;;3.186;;2.701;;1.374;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;"SC mix";CCM15;25;0;;2.234;;4.129;;2.437;;0.965;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Styrene;MM00905;C=Cc1ccccc1;PPBRXRYQALVLMV-UHFFFAOYSA-N;104.15;2.33;7501;;;;"SC mix";CCM15;25;0;;1.728;;0.236;;5.391;;3.743;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;"SC mix";CCM15;25;0;;3.836;;17.225;;1.13;;-5.027;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;"SC mix";CCM15;25;0;;1.812;;1.898;;8.433;;5.411;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"T-2 Toxin";MM00906;CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2;BXFOFFBJRFZBQZ-QYWOHJEZSA-N;466.53;1.69;5284461;;;;"SC mix";CCM15;25;0;;2.234;;3.773;;3.588;;1.772;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tenofovir;MM00907;CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O;SGOIRFVFHAKUTI-UHFFFAOYSA-N;287.22;-0.05;464205;;;;"SC mix";CCM15;25;0;;2.571;;13.143;;1.358;;0.057;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;"SC mix";CCM15;25;0;;1.981;;2.7;;4.327;;2.28;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Tetramethylthiuram Disulfide";MM00908;CN(C)C(=S)SSC(=S)N(C)C;KUAZQDVKQLNFPE-UHFFFAOYSA-N;240.44;2.06;5455;;;;"SC mix";CCM15;25;0;;1.812;;1.271;;4.618;;2.712;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;"SC mix";CCM15;25;0;;2.403;;6.033;;0.696;;-0.257;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Thioglycolic Acid";MM00909;O=C(O)CS;CWERGRDVMFNCDR-UHFFFAOYSA-N;92.12;;1133;;;;"SC mix";CCM15;25;0;;2.403;;3.103;;0.837;;0.012;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-methyl-2-propan-2-ylphenol;MM00910;Cc1ccc(C(C)C)c(O)c1;MGSRCZKZVOBKFT-UHFFFAOYSA-N;150.22;2.82;6989;DB02513;IPB;CHEMBL29411;"SC mix";CCM15;25;0;;1.897;;1.963;;4.94;;2.912;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Toluene;MM00911;Cc1ccccc1;YXFVVABEGXRONW-UHFFFAOYSA-N;92.14;2;1140;DB11558;MBN;CHEMBL9113;"SC mix";CCM15;25;0;;1.728;;0.176;;5.129;;3.587;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chloroform;MM00912;ClC(Cl)Cl;HEDRZPFGACZZDS-UHFFFAOYSA-N;119.38;1.99;6212;;;;"SC mix";CCM15;25;0;;1.812;;0.182;;3.834;;2.72;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;"SC mix";CCM15;25;0;;2.655;;10.154;;0.067;;-1.141;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxy-3-methoxybenzaldehyde;MM00913;COc1cc(C=O)ccc1O;MWOOGOJBHIARFG-UHFFFAOYSA-N;152.15;1.21;1183;;;;"SC mix";CCM15;25;0;;2.065;;1.645;;2.443;;1.279;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;"SC mix";CCM15;25;0;;3.33;;6.433;;0.048;;-0.959;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;"SC mix";CCM15;25;0;;2.318;;4.016;;0.763;;0.01;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;"SC mix";CCM15;25;0;;2.655;;15.767;;0.289;;-1.168;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;"SC mix";CCM15;25;0;;2.74;;11.594;;0.112;;-1.295;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Aflatoxin B1";MM00914;COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2;OQIQSTLJSLGHID-WNWIJWBNSA-N;312.28;2.28;186907;;;;"SC mix";CCM15;25;0;;2.15;;5.36;;4.939;;2.586;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;"SC mix";CCM15;25;0;;1.812;;3.441;;5.154;;3.012;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;"SC mix";CCM15;25;0;;2.15;;7.865;;3.23;;1.589;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzo[a]pyrene;MM00169;c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34;FMMWHPNWAFZXNH-UHFFFAOYSA-N;252.32;5.74;2336;;;;"SC mix";CCM15;25;0;;1.644;;0.59;;9.522;;6.474;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzophenone-3;MM00918;COc1ccc(C(=O)c2ccccc2)c(O)c1;DXGLGDHPHMLXJC-UHFFFAOYSA-N;228.25;2.63;4632;DB01428;;CHEMBL1625;"SC mix";CCM15;25;0;;1.981;;2.031;;3.603;;2.043;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benztropine;MM00919;CN1[C@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2;GIJXKZJWITVLHI-YOFSQIOKSA-N;307.44;4.42;1201549;DB00245;CXQ;CHEMBL1201203;"SC mix";CCM15;25;0;;1.728;;1.57;;7.701;;4.928;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzyl Alcohol";MM00072;OCc1ccccc1;WVDDGKGOMKODPV-UHFFFAOYSA-N;108.14;1.18;244;DB06770;010;CHEMBL720;"SC mix";CCM15;25;0;;2.065;;2.792;;2.561;;1.242;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;"SC mix";CCM15;25;0;;1.644;;0.98;;10.471;;6.995;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Betamethasone;MM00920;CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO;UREBDLICKHMUKA-UHFFFAOYSA-N;392.47;1.9;9782;DB00443;;CHEMBL632;"SC mix";CCM15;25;0;;2.234;;6.41;;2.662;;1.011;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Betamethasone 17-valerate";MM00921;CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C;SNHRLVCMMWUAJD-SUYDQAKGSA-N;476.59;3.64;16533;;;;"SC mix";CCM15;25;0;;2.065;;5.377;;4.494;;2.224;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;"SC mix";CCM15;25;0;;1.812;;1.334;;7.868;;5.091;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;"SC mix";CCM15;25;0;;2.234;;4.937;;0.881;;0.122;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromochloroacetic Acid";MM00923;O=C(O)C(Cl)Br;GEHJBWKLJVFKPS-UHFFFAOYSA-N;173.39;1.03;542762;;;;"SC mix";CCM15;25;0;;2.15;;4.452;;1.879;;0.756;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-bromo-2-chloroacetonitrile;MM00924;N#CC(Cl)Br;BMWPPNAUMLRKML-UHFFFAOYSA-N;154.39;1.47;55004;;;;"SC mix";CCM15;25;0;;2.065;;0.855;;2.548;;1.547;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromo(dichloro)methane;MM00925;ClC(Cl)Br;FMWLUWPQPKEARP-UHFFFAOYSA-N;163.83;2.14;6359;;;;"SC mix";CCM15;25;0;;1.812;;0.201;;3.818;;2.691;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl P-aminobenzoate";MM00028;CCCCOC(=O)c1ccc(N)cc1;IUWVALYLNVXWKX-UHFFFAOYSA-N;193.25;2.23;2482;DB11148;;CHEMBL127516;"SC mix";CCM15;25;0;;1.897;;2.21;;4.306;;2.532;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Catechol;MM00030;Oc1ccccc1O;YCIMNLLNPGFGHC-UHFFFAOYSA-N;110.11;1.1;289;DB02232;CAQ;CHEMBL280998;"SC mix";CCM15;25;0;;2.15;;3.802;;1.605;;0.594;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortisone;MM00347;CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO;LPYXTAPPNYMYOP-UHFFFAOYSA-N;362.47;1.78;222786;;;;"SC mix";CCM15;25;0;;2.234;;5.228;;2.864;;1.048;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;MM00928;O=P1(N(CCCl)CCCl)NCCCO1;CMSMOCZEIVJLDB-UHFFFAOYSA-N;261.09;1.88;2907;DB00531;;CHEMBL88;"SC mix";CCM15;25;0;;2.065;;2.245;;3.493;;1.928;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cytarabine;MM00929;Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1;UHDGCWIWMRVCDJ-UHFFFAOYSA-N;243.22;-2.56;6253;DB00987;AR3;CHEMBL803;"SC mix";CCM15;25;0;;2.655;;15.76;;0.588;;-0.628;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;MM00930;O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12;ZQSIJRDFPHDXIC-UHFFFAOYSA-N;254.24;2.87;5281708;;;;"SC mix";CCM15;25;0;;2.234;;7.919;;2.579;;1.17;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane;MM00931;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;FHIVAFMUCKRCQO-UHFFFAOYSA-N;304.35;3.58;3017;;;;"SC mix";CCM15;25;0;;1.728;;0.88;;7.612;;4.972;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dibromoacetic Acid";MM00932;O=C(O)C(Br)Br;SIEILFNCEFEENQ-UHFFFAOYSA-N;217.84;1.19;12433;;;;"SC mix";CCM15;25;0;;2.15;;3.941;;2.246;;1.018;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dibromoacetonitrile;MM00933;N#CC(Br)Br;NDSBDLSWTGLNQA-UHFFFAOYSA-N;198.85;1.63;18617;;;;"SC mix";CCM15;25;0;;2.065;;0.957;;2.452;;1.453;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dichloroacetic Acid";MM00934;O=C(O)C(Cl)Cl;JXTHNDFMNIQAHM-UHFFFAOYSA-N;128.94;0.87;6597;DB08809;TF4;CHEMBL13960;"SC mix";CCM15;25;0;;2.15;;1.562;;1.867;;0.907;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dichloroacetonitrile;MM00935;N#CC(Cl)Cl;STZZWJCGRKXEFF-UHFFFAOYSA-N;109.94;1.31;18177;;;;"SC mix";CCM15;25;0;;2.065;;0.746;;2.607;;1.634;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;MM00937;CNC(=O)CSP(=S)(OC)OC;MCWXGJITAZMZEV-UHFFFAOYSA-N;229.26;0.98;3082;;;;"SC mix";CCM15;25;0;;2.065;;3.21;;2.852;;1.4;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dimethyl Phthalate";MM00938;COC(=O)c1ccccc1C(=O)OC;NIQCNGHVCWTJSM-UHFFFAOYSA-N;194.19;1.26;8554;;;;"SC mix";CCM15;25;0;;1.981;;1.667;;3.255;;1.76;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estriol;MM00201;C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O;PROQIPRRNZUXQM-ZXXIGWHRSA-N;288.39;2.58;5756;DB04573;ESL;CHEMBL193482;"SC mix";CCM15;25;0;;2.234;;6.165;;2.021;;0.769;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estrone;MM00114;CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O;DNXHEGUUPJUMQT-UHFFFAOYSA-N;270.37;3.82;5870;DB00655;J3Z;CHEMBL1405;"SC mix";CCM15;25;0;;1.897;;2.725;;4.395;;2.567;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethacrynic Acid";MM00939;C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl;AVOLMBLBETYQHX-UHFFFAOYSA-N;303.14;3.61;3278;DB00903;EAA;CHEMBL456;"SC mix";CCM15;25;0;;1.981;;4.702;;5.009;;2.909;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethoxyethane;MM00936;CCOCC;RTZKZFJDLAIYFH-UHFFFAOYSA-N;74.12;1.04;3283;;;;"SC mix";CCM15;25;0;;1.728;;0.413;;3.182;;2.116;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Methoxyethyl Acetate";MM00942;COCCOC(C)=O;XLLIQLLCWZCATF-UHFFFAOYSA-N;118.13;0.2;8054;;;;"SC mix";CCM15;25;0;;1.981;;0.932;;1.998;;1.089;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylene Glycol Monopropyl Ether";MM00943;CCCOCCO;YEYKMVJDLWJFOA-UHFFFAOYSA-N;104.15;0.41;17756;;;;"SC mix";CCM15;25;0;;2.065;;1.429;;2.505;;1.368;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylhexyl Acrylate";MM00944;C=CC(=O)OCC(CC)CCCC;GOXQRTZXKQZDDN-UHFFFAOYSA-N;184.28;2.93;7636;;;;"SC mix";CCM15;25;0;;1.812;;2.684;;6.496;;4.018;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid";MM00946;CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3;NNYBQONXHNTVIJ-UHFFFAOYSA-N;287.36;3.38;3308;DB00749;;CHEMBL622;"SC mix";CCM15;25;0;;2.15;;4.278;;5.353;;3.074;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;"SC mix";CCM15;25;0;;2.655;;12.676;;0.642;;-0.367;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluazifop-butyl;MM00947;CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1;VAIZTNZGPYBOGF-UHFFFAOYSA-N;383.37;5;50897;;;;"SC mix";CCM15;25;0;;1.728;;0.927;;8.358;;5.579;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;"SC mix";CCM15;25;0;;1.812;;2.849;;6.553;;4.058;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;"SC mix";CCM15;25;0;;1.812;;2.277;;8.561;;5.479;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;"SC mix";CCM15;25;0;;1.897;;3.364;;6.2;;3.779;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flurbiprofen Glucoside";MM00948;CC(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(-c2ccccc2)c(F)c1;UDHRABHPKDXEHJ-ANEISTKZSA-N;406.41;0.94;;;;;"SC mix";CCM15;25;0;;2.234;;7.171;;4.693;;2.642;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flurbiprofen Mannoside";MM00949;CC(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(-c2ccccc2)cc1;MLGXWTASTYOKAK-JTTULHRFSA-N;388.42;0.8;;;;;"SC mix";CCM15;25;0;;2.15;;5.667;;4.629;;2.641;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;"SC mix";CCM15;25;0;;2.234;;6.588;;2.573;;1.187;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;"SC mix";CCM15;25;0;;1.981;;2.411;;6.243;;3.802;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrocortisone 21-propionate";MM00871;CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;MRECAIZOMKKXOZ-RPPPWEFESA-N;418.53;2.74;111228;;;;"SC mix";CCM15;25;0;;2.318;;5.895;;2.309;;0.812;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,4-diol;MM00951;Oc1ccc(O)cc1;QIGBRXMKCJKVMJ-UHFFFAOYSA-N;110.11;1.1;785;DB09526;HQE;CHEMBL537;"SC mix";CCM15;25;0;;2.234;;5.506;;0.79;;0.038;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydroxypregnenolone;MM00952;CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C;JERGUCIJOXJXHF-TVWVXWENSA-N;332.48;3.63;91451;;;;"SC mix";CCM15;25;0;;1.897;;2.774;;4.117;;2.296;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Iso-thymol;MM00954;Cc1ccc(C(C)C)cc1O;RECUKUPTGUEGMW-UHFFFAOYSA-N;150.22;2.82;10364;;;;"SC mix";CCM15;25;0;;1.897;;1.239;;4.957;;3.054;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;"SC mix";CCM15;25;0;;2.15;;2.526;;1.329;;0.452;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;MM00956;CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1;ALFGKMXHOUSVAD-UHFFFAOYSA-N;247.34;2.33;10101;DB06738;;CHEMBL47072;"SC mix";CCM15;25;0;;1.981;;4.038;;3.732;;2.046;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;"SC mix";CCM15;25;0;;1.981;;4.162;;4.554;;2.551;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid";MM00957;O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O;OZWKMVRBQXNZKK-UHFFFAOYSA-N;255.27;2.29;3826;DB00465;;CHEMBL469;"SC mix";CCM15;25;0;;2.065;;4.344;;4.31;;2.428;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;"SC mix";CCM15;25;0;;2.487;;7.922;;1.222;;0.159;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Linolenic Acid";MM00959;"CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O";DTOSIQBPPRVQHS-PDBXOOCHSA-N;278.44;5.66;5280934;DB00132;LNL;CHEMBL8739;"SC mix";CCM15;25;0;;1.644;;2.819;;9.866;;6.526;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;MM00960;CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O;WLHQHAUOOXYABV-UHFFFAOYSA-N;371.83;2.3;54690031;DB06725;;CHEMBL1569487;"SC mix";CCM15;25;0;;1.897;;1.407;;5.522;;3.52;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Methylphenol;MM00208;Cc1cccc(O)c1;RLSSMJSEOOYNOY-UHFFFAOYSA-N;108.14;1.7;342;DB01776;CRS;CHEMBL298312;"SC mix";CCM15;25;0;;1.981;;2.535;;3.107;;1.632;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate";MM00269;CNC(=O)Oc1cc(C)c(SC)c(C)c1;YFBPRJGDJKVWAH-UHFFFAOYSA-N;225.31;2.74;16248;;;;"SC mix";CCM15;25;0;;1.897;;2.005;;5.589;;3.37;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;"SC mix";CCM15;25;0;;2.487;;17.303;;2.683;;0.965;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-hydroxyphenylacetate";MM00271;COC(=O)Cc1ccc(O)cc1;XGDZEDRBLVIUMX-UHFFFAOYSA-N;166.18;1.11;518900;;;;"SC mix";CCM15;25;0;;2.065;;3.442;;2.363;;1.131;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-aminobenzoate";MM00272;COC(=O)c1ccc(N)cc1;LZXXNPOYQCLXRS-UHFFFAOYSA-N;151.17;1.06;12082;;;;"SC mix";CCM15;25;0;;2.065;;2.351;;2.069;;0.996;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 4-hydroxybenzoate";MM00273;COC(=O)c1ccc(O)cc1;LXCFILQKKLGQFO-UHFFFAOYSA-N;152.15;1.18;7456;;;;"SC mix";CCM15;25;0;;2.065;;3.877;;2.239;;1.052;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl Salicylate";MM00274;COC(=O)c1ccccc1O;OSWPMRLSEDHDFF-UHFFFAOYSA-N;152.15;1.18;4133;DB09543;;CHEMBL108545;"SC mix";CCM15;25;0;;1.812;;0.425;;4.345;;2.922;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;"SC mix";CCM15;25;0;;1.897;;2.313;;5.44;;3.294;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-Nitrosodiethanolamine;MM00276;O=NN(CCO)CCO;YFCDLVPYFMHRQZ-UHFFFAOYSA-N;134.14;-1.05;14223;;;;"SC mix";CCM15;25;0;;3.667;;6.938;;0.201;;-0.976;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;"SC mix";CCM15;25;0;;2.15;;3.661;;3.775;;2.015;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;"SC mix";CCM15;25;0;;1.897;;2.929;;6.402;;3.868;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-nitro-2-phenoxymethanesulfonanilide;MM00279;CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1;HYWYRSMBCFDLJT-UHFFFAOYSA-N;308.32;2.76;4495;DB04743;NIM;CHEMBL56367;"SC mix";CCM15;25;0;;2.065;;2.707;;4.495;;2.55;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nizatidine;MM00084;CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1;SGXXNSQHWDMGGP-UHFFFAOYSA-N;331.47;1.32;3033637;DB00585;;CHEMBL3183075;"SC mix";CCM15;25;0;;2.065;;3.565;;3.147;;1.658;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;"SC mix";CCM15;25;0;;1.728;;2.513;;8.46;;5.382;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methylphenol;MM01283;Cc1ccccc1O;QWVGKYWNOKOFNN-UHFFFAOYSA-N;108.14;1.7;335;;;;"SC mix";CCM15;25;0;;1.981;;1.591;;2.98;;1.623;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Phenylenediamine;MM00282;Nc1ccccc1N;GEYOCULIXLDCMW-UHFFFAOYSA-N;108.14;0.85;7243;;;;"SC mix";CCM15;25;0;;2.15;;2.642;;1.125;;0.274;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-tert-butylphenol;MM00213;CC(C)(C)c1ccccc1O;WJQOZHYUIDYNHM-UHFFFAOYSA-N;150.22;2.69;6923;;;;"SC mix";CCM15;25;0;;1.812;;0.277;;5.251;;3.628;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-toluidine;MM00284;Cc1ccccc1N;RNVCVTLRINQCPJ-UHFFFAOYSA-N;107.16;1.58;7242;;;;"SC mix";CCM15;25;0;;1.981;;0.918;;3.127;;1.905;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Tolunitrile;MM00285;Cc1ccccc1C#N;NWPNXBQSRGKSJB-UHFFFAOYSA-N;117.15;1.87;10721;;;;"SC mix";CCM15;25;0;;1.897;;0.615;;3.87;;2.513;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ochratoxin A";MM00286;CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1;RWQKHEORZBHNRI-UHFFFAOYSA-N;403.82;2.57;442530;;;;"SC mix";CCM15;25;0;;2.234;;5.175;;5.597;;3.287;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octyl 4-hydroxybenzoate";MM00287;CCCCCCCCOC(=O)c1ccc(O)cc1;RIKCMEDSBFQFAL-UHFFFAOYSA-N;250.34;3.91;14642;;;;"SC mix";CCM15;25;0;;1.728;;3.602;;7.806;;5.021;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Oleic Acid";MM00288;CCCCCCCC/C=C/CCCCCCCC(=O)O;ZQPPMHVWECSIRJ-MDZDMXLPSA-N;282.47;6.11;637517;DB04224;ELA;CHEMBL460657;"SC mix";CCM15;25;0;;1.56;;2.792;;11.947;;7.973;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;"SC mix";CCM15;25;0;;1.897;;1.844;;5.641;;3.422;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
P-Cresol;MM00290;Cc1ccc(O)cc1;IWDCLRJOBJJRNH-UHFFFAOYSA-N;108.14;1.7;2879;DB01688;PCR;CHEMBL16645;"SC mix";CCM15;25;0;;1.981;;2.554;;3.144;;1.662;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
P-Phenylenediamine;MM00291;Nc1ccc(N)cc1;CBCKQZAAMUWICA-UHFFFAOYSA-N;108.14;0.85;7814;;;;"SC mix";CCM15;25;0;;2.234;;2.376;;0.587;;0.022;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-n-butylphenol;MM00155;CCCCc1ccc(O)cc1;CYYZDBDROVLTJU-UHFFFAOYSA-N;150.22;2.73;15420;;;;"SC mix";CCM15;25;0;;1.897;;2.348;;5.283;;3.194;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;MM00293;CC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)n1cncn1;RMOGWMIKYWRTKW-KGLIPLIRSA-N;293.8;3.12;158076;;;;"SC mix";CCM15;25;0;;1.897;;1.745;;5.506;;3.427;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,3,5-triol;MM00294;Oc1cc(O)cc(O)c1;QCDYQQDYXPDABM-UHFFFAOYSA-N;126.11;0.8;359;DB12944;13X;CHEMBL473159;"SC mix";CCM15;25;0;;2.74;;9.357;;0.216;;-0.598;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Physostigmine;MM00295;CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C;PIJVFDBKTWXHHD-HIFRSBDPSA-N;275.35;1.77;5983;DB00981;;CHEMBL94;"SC mix";CCM15;25;0;;1.981;;3.344;;3.809;;2.103;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate";MM00296;Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C;YFGYUFNIOHWBOB-UHFFFAOYSA-N;238.29;1.22;31645;;;;"SC mix";CCM15;25;0;;1.812;;1.877;;4.545;;2.593;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;"SC mix";CCM15;25;0;;2.234;;6.244;;2.92;;1.041;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pregnenolone;MM00298;CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C;ORNBQBCIOKFOEO-QGVNFLHTSA-N;316.49;4.52;8955;DB02789;PLO;CHEMBL253363;"SC mix";CCM15;25;0;;1.812;;2.639;;5.777;;3.44;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propyl 4-hydroxybenzoate";MM00299;CCCOC(=O)c1ccc(O)cc1;QELSKZZBTMNZEB-UHFFFAOYSA-N;180.2;1.96;7175;;;;"SC mix";CCM15;25;0;;1.981;;3.782;;3.879;;2.18;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,2,3-triol;MM00300;Oc1cccc(O)c1O;WQGWDDDVZFFDIG-UHFFFAOYSA-N;126.11;0.8;1057;;;;"SC mix";CCM15;25;0;;2.234;;4.864;;0.938;;0.129;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Raffinose;MM00301;OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O;MUPFEKGTMRGPLJ-ZQSKZDJDSA-N;504.44;-7.57;439242;;;;"SC mix";CCM15;25;0;;4.004;;20.133;;1.717;;-4.822;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;"SC mix";CCM15;25;0;;1.897;;1.697;;4.665;;2.833;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate";MM00303;O=C1c2ccccc2OCN1CCO[N+](=O)[O-];POVFCWQCRHXYAB-UHFFFAOYSA-N;238.2;0.69;121985;;;;"SC mix";CCM15;25;0;;1.981;;1.573;;4.101;;2.395;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;"SC mix";CCM15;25;0;;1.981;;3.318;;3.885;;2.158;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;"SC mix";CCM15;25;0;;2.318;;7.942;;2.153;;0.938;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;"SC mix";CCM15;25;0;;2.403;;7.212;;1.808;;0.359;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Triamcinolone Acetonide";MM00308;CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1;YNDXUCZADRHECN-UHFFFAOYSA-N;434.5;2.42;6436;;;;"SC mix";CCM15;25;0;;2.234;;4.678;;2.406;;0.881;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Trichloroacetic Acid";MM00309;O=C(O)C(Cl)(Cl)Cl;YNJBWRMUSHSURL-UHFFFAOYSA-N;163.39;1.44;6421;DB11152;;;"SC mix";CCM15;25;0;;2.065;;4.216;;3.298;;1.726;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triclosan;MM00310;Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl;XEFQLINVKFYRCS-UHFFFAOYSA-N;289.55;5.14;5564;DB08604;TCL;CHEMBL849;"SC mix";CCM15;25;0;;1.812;;0.869;;7.371;;4.908;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Valsartan;MM00311;CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C;ACWBQPMHZXGDFX-UHFFFAOYSA-N;435.53;4.16;60846;DB00177;;CHEMBL1069;"SC mix";CCM15;25;0;;2.403;;4.406;;4.651;;2.725;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(R)-Ibuprofen;MM00051;CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1;HEFNNWSXXWATRW-SNVBAGLBSA-N;206.29;3.07;114864;;;;"SC mix";CCM15;25;0;;1.897;;2.951;;5.969;;3.599;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(S)-Ibuprofen;MM00052;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;39912;DB09213;IBP;CHEMBL175;"SC mix";CCM15;25;0;;1.897;;2.907;;5.987;;3.611;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zearalenone;MM00312;C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1;MBMQEIFVQACCCH-QBODLPLBSA-N;318.37;3.58;5281576;;;;"SC mix";CCM15;25;0;;2.234;;4.51;;2.814;;1.421;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;DOPC;MDUSBG56;50;0;;;;;;;;;;-6.62;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;DOPC;MDUSBG56;50;0;;;;;;;;;;-3.94;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
2-carboxyphenolate;MM00962;O=C(O)c1ccccc1[O-];YGSDEFSMJLZEOE-UHFFFAOYSA-M;137.11;0.46;54675850;;;;DOPC;MDUSBG56;50;-1;;;;;;;;;;-5.17;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;MM00438;CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1;NDAUXUAQIAJITI-GFCCVEGCSA-N;239.32;1.31;2083;DB01001;;CHEMBL714;DOPC;MDUSBG56;50;1;;;;;;;;;;-1.95;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;DOPC;MDUSBG56;50;1;;;;;;;;;;-1.77;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;MDUSBG56;50;-1;;;;;;;;;;-0.63;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;DOPC;MDUSBG56;50;0;;;;;;;;;;0.67;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;MM00964;O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1;AKPLHCDWDRPJGD-UHFFFAOYSA-N;270.72;3.13;2997;;;CHEMBL523;DOPC;MDUSBG56;50;0;;;;;;;;;;2.04;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;DOPC;MDUSBG56;50;1;;;;;;;;;;2.13;;;;;;;;;;;;"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014";"Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014"
Benzene;MM00129;c1ccccc1;UHOVQNZJYSORNB-UHFFFAOYSA-N;78.11;1.69;241;;BNZ;CHEMBL277500;SC_ML;MDUSC36;30;0;;;;;;;;;;-4.56;3.36;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;SC_ML;MDUSC36;30;0;;;;;;;;;;-9.96;3.26;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
"Dimethyl Sulfoxide";MM00966;CS(C)=O;IAZDPXIOMUYVGZ-UHFFFAOYSA-N;78.14;-0.01;679;DB01093;DMS;CHEMBL504;SC_ML;MDUSC36;30;0;;;;;;;;;;-7.76;3.36;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;SC_ML;MDUSC36;30;0;;;;;;;;;;-6.26;3.36;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;SC_ML;MDUSC36;25;-1;;;;;;;;;;-7.66;3.36;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;SC_ML;MDUSC36;30;0;;;;;;;;;;-5.66;3.36;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;SC_ML;MDUSC36;30;0;;;;;;;;;;-9.66;3.26;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;SC_ML;MDUSC36;30;0;;;;;;;;;;-8.26;3.46;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
1,2,3,4,5,6-hexachlorobenzene;MM00185;Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;CKAPSXZOOQJIBF-UHFFFAOYSA-N;284.78;5.61;8370;;;;POPC;ESPME;25;0;;;;;;;;5.9;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,2',4,6-Tetrachlorobiphenyl;MM00256;Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1;VLLVVZDKBSYMCG-UHFFFAOYSA-N;291.99;5.97;44163;;;;POPC;ESPME;25;0;;;;;;;;5.92;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
3,3',4,5-Tetrachlorobiphenyl;MM00257;Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1;SXFLURRQRFKBNN-UHFFFAOYSA-N;291.99;5.97;63101;;;;POPC;ESPME;25;0;;;;;;;;6.53;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,2',4,5',6-Pentachlorobiphenyl;MM00258;Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1;PQHZWWBJPCNNGI-UHFFFAOYSA-N;326.44;6.62;63086;;;;POPC;ESPME;25;0;;;;;;;;6.32;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,2',4,6,6'-Pentachlorobiphenyl;MM00259;Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1;MTCPZNVSDFCBBE-UHFFFAOYSA-N;326.44;6.62;91662;;;;POPC;ESPME;25;0;;;;;;;;6.13;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,2',3,3',6,6'-Hexachlorobiphenyl;MM00107;Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl;FZFUUSROAHKTTF-UHFFFAOYSA-N;360.88;7.27;38024;;;;POPC;ESPME;25;0;;;;;;;;6.5;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,2',3,4,4',5,6'-Heptachlorobiphenyl;MM00260;Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1;RXRLRYZUMSYVLS-UHFFFAOYSA-N;395.33;7.93;63098;;;;POPC;ESPME;25;0;;;;;;;;6.83;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,3,7,8-Tetrachlorodibenzo-P-dioxin;MM00261;Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2;HGUFODBRKLSHSI-UHFFFAOYSA-N;321.97;6.2;15625;;;;POPC;ESPME;25;0;;;;;;;;6.9;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
1,2,3,7,8-Pentachlorodibenzo-P-dioxin;MM00262;Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2;FSPZPQQWDODWAU-UHFFFAOYSA-N;356.42;6.85;38439;;;;POPC;ESPME;25;0;;;;;;;;7.07;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
1,2,3,4,7,8-Hexachlorodibenzo-P-dioxin;MM00263;Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2;WCYYQNSQJHPVMG-UHFFFAOYSA-N;390.86;7.51;38251;;;;POPC;ESPME;25;0;;;;;;;;7.15;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
Phenanthrene;MM00160;c1ccc2c(c1)ccc1ccccc12;YNPNZTXNASCQKK-UHFFFAOYSA-N;178.23;3.99;995;;;;POPC;ESPME;25;0;;;;;;;;4.86;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
Fluoranthene;MM00162;c1ccc2c(c1)-c1cccc3cccc-2c13;GVEPBJHOBDJJJI-UHFFFAOYSA-N;202.26;4.49;9154;;;;POPC;ESPME;25;0;;;;;;;;5.57;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
Benzo[a]pyrene;MM00169;c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34;FMMWHPNWAFZXNH-UHFFFAOYSA-N;252.32;5.74;2336;;;;POPC;ESPME;25;0;;;;;;;;6.98;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
Benzo[ghi]perylene;MM00172;c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56;GYFAGKUZYNFMBN-UHFFFAOYSA-N;276.34;6.33;9117;;;;POPC;ESPME;25;0;;;;;;;;7.62;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
Benzo[b]triphenylene;MM00264;c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1;RAASUWZPTOJQAY-UHFFFAOYSA-N;278.35;6.3;9164;;;;POPC;ESPME;25;0;;;;;;;;7.49;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,3,5,6-Tetrachloroaniline;MM00265;Nc1c(Cl)c(Cl)cc(Cl)c1Cl;YTDHEFNWWHSXSU-UHFFFAOYSA-N;230.91;3.88;18998;;;;POPC;ESPME;25;0;;;;;;;;4.6;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
2,3,4,5,6-pentachloroaniline;MM00266;Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;KHCZSJXTDDHLGJ-UHFFFAOYSA-N;265.35;4.54;10693;;;;POPC;ESPME;25;0;;;;;;;;4.69;;;;;;;;;;;;;;"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011";"Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011"
1,7-dimethyl-3H-purine-2,6-dione;MM00968;Cn1c(=O)[nH]c2ncn(C)c2c1=O;QUNWUDVFRNGTCO-UHFFFAOYSA-N;180.17;-1.04;4687;;;;CERNS;CCM15;25;0;;2.182;;6.146;;1.468;;0.066;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-dimethyl-3H-purine-2,6-dione;MM00968;Cn1c(=O)[nH]c2ncn(C)c2c1=O;QUNWUDVFRNGTCO-UHFFFAOYSA-N;180.17;-1.04;4687;;;;DMPC;CCM15;25;0;;1.433;;5.299;;1.551;;0.266;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-dimethyl-3H-purine-2,6-dione;MM00968;Cn1c(=O)[nH]c2ncn(C)c2c1=O;QUNWUDVFRNGTCO-UHFFFAOYSA-N;180.17;-1.04;4687;;;;DOPC;CCM15;25;0;;1.503;;5.078;;1.667;;0.073;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-dimethyl-3H-purine-2,6-dione;MM00968;Cn1c(=O)[nH]c2ncn(C)c2c1=O;QUNWUDVFRNGTCO-UHFFFAOYSA-N;180.17;-1.04;4687;;;;"SC mix";CCM15;25;0;;2.403;;5.788;;1.156;;0.034;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-Methyluric Acid";MM00969;Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O;QFDRTQONISXGJA-UHFFFAOYSA-N;182.14;-1.76;69726;;;;DOPC;CCM18;25;0;;1.723;;15.617;;0.642;;-0.738;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Methylxanthine;MM00015;Cn1c(=O)[nH]c2nc[nH]c2c1=O;MVOYJPOZRLFTCP-UHFFFAOYSA-N;166.14;-1.05;80220;;;;DOPC;CCM18;25;0;;3.629;;10.303;;0.595;;-1.004;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Methyluric Acid";MM00974;Cn1c(=O)[nH]c(=O)c2[nH]c(=O)[nH]c21;ODCYDGXXCHTFIR-UHFFFAOYSA-N;182.14;-1.76;11804;;;;DOPC;CCM18;25;0;;1.796;;16.076;;0.739;;-0.94;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Methylxanthine;MM00975;Cn1c(=O)[nH]c(=O)c2[nH]cnc21;GMSNIKWWOQHZGF-UHFFFAOYSA-N;166.14;-1.05;70639;;;;DOPC;CCM18;25;0;;1.723;;10.196;;0.727;;-0.678;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,7-Dimethyluric Acid";MM00976;Cn1c(=O)[nH]c(=O)c2c1[nH]c(=O)n2C;HMLZLHKHNBLLJD-UHFFFAOYSA-N;196.17;-1.75;83126;;;;DOPC;CCM18;25;0;;3.482;;12.454;;1.108;;-1.34;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-Acetylamino-6-formylamino-3-methyluracil;MM00977;CC(=O)Nc1c(NC=O)[nH]c(=O)n(C)c1=O;RDZNZFGKEVDNPK-UHFFFAOYSA-N;226.19;-1.4;108214;;;;DOPC;CCM18;25;0;;3.555;;12.254;;1.161;;-1.293;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Amino-5-(N-formylmethylamino)-1-methyluracil;MM00978;Cn1c(N)c(NCC=O)c(=O)[nH]c1=O;WOAKODVUIFBCKE-UHFFFAOYSA-N;198.18;-1.73;15227544;;;;DOPC;CCM18;25;0;;1.796;;12.865;;1.257;;-0.769;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Amino-5-(N-formylmethylamino)-3-methyluracil;MM00980;Cn1c(=O)[nH]c(N)c(NCC=O)c1=O;RBDIXWGJLIOYBC-UHFFFAOYSA-N;198.18;-1.73;88585499;;;;DOPC;CCM18;25;0;;3.409;;12.263;;0.963;;-0.912;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Amino-5-(formylmethylamino)-1,3-dimethyluracil;MM00981;CN(C=O)c1c(N)n(C)c(=O)n(C)c1=O;DSJVDNYAPZJQQX-UHFFFAOYSA-N;212.21;-1.74;92288;;;;DOPC;CCM18;25;0;;1.649;;9.323;;1.462;;-0.808;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"7-Methyluric Acid";MM00982;Cn1c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c21;YHNNPKUFPWLTOP-UHFFFAOYSA-N;182.14;-1.76;69160;;;;DOPC;CCM18;25;0;;3.189;;15.971;;0.614;;-1.101;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-Methylxanthine;MM00983;Cn1cnc2[nH]c(=O)[nH]c(=O)c21;PFWLFWPASULGAN-UHFFFAOYSA-N;166.14;-1.05;68374;;;;DOPC;CCM18;25;0;;1.723;;10.283;;0.989;;-0.544;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;DOPC;CCM18;25;0;;1.43;;3.622;;1.804;;-0.417;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-dimethyl-3H-purine-2,6-dione;MM00968;Cn1c(=O)[nH]c2ncn(C)c2c1=O;QUNWUDVFRNGTCO-UHFFFAOYSA-N;180.17;-1.04;4687;;;;DOPC;CCM18;25;0;;1.576;;6.716;;1.169;;-0.674;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theobromine;MM00424;Cn1cnc2c1c(=O)[nH]c(=O)n2C;YAPQBXQYLJRXSA-UHFFFAOYSA-N;180.17;-1.04;5429;DB01412;37T;CHEMBL1114;DOPC;CCM18;25;0;;1.576;;6.972;;1.301;;-0.6;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DOPC;CCM18;25;0;;3.629;;6.636;;1.01;;-0.713;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Xanthine;MM00432;O=c1[nH]c(=O)c2[nH]cnc2[nH]1;LRFVTYWOQMYALW-UHFFFAOYSA-N;152.11;-1.06;1188;DB02134;XAN;CHEMBL1424;DOPC;CCM18;25;0;;1.869;;14.076;;0.538;;-0.577;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;GENER;EPAMOL;25;1;;;;;;;;;;-3.53;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;GENER;EPAMOL;25;1;;;;;;;;;;0.017;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;GENER;EPAMOL;25;1;;;;;;;;;;-5.07;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;GENER;EPAMOL;25;1;;;;;;;;;;-6.2;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;GENER;EPAMOL;25;1;;;;;;;;;;-1.33;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;GENER;EPAMOL;25;1;;;;;;;;;;-1.17;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;GENER;EPAMOL;25;1;;;;;;;;;;-4.34;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;GENER;EPAMOL;25;1;;;;;;;;;;-1.74;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;GENER;EPAMOL;25;1;;;;;;;;;;-7.25;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAMOL;25;1;;;;;;;;;;0.43;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;GENER;EPAMOL;25;1;;;;;;;;;;0.26;;;;;;;;;;;;"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013";"Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013"
1,1,2-Trichloroethane;MM00984;ClCC(Cl)Cl;UBOXGVDOUJQMTN-UHFFFAOYSA-N;133.41;2.03;6574;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.592978;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,1,2,2-Tetrachloroethane;MM00985;ClC(Cl)C(Cl)Cl;QPFMBZIOSGYJDE-UHFFFAOYSA-N;167.85;2.59;6591;;;;DOPC;CCM18;25;0;;;;;;;;;;0.205456;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Dichloroethane;MM00986;ClCCCl;WSLDOOZREJYCGB-UHFFFAOYSA-N;98.96;1.46;11;DB03733;DCE;CHEMBL16370;DOPC;CCM18;25;0;;;;;;;;;;-0.897612;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Dichloropropane;MM00987;CC(Cl)CCl;KNKRKFALVUDBJE-UHFFFAOYSA-N;112.99;1.85;6564;DB01701;;;DOPC;CCM18;25;0;;;;;;;;;;-0.866733;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propylene Glycol";MM00414;CC(O)CO;DNIAPMSPPWPWGF-UHFFFAOYSA-N;76.1;-0.64;1030;DB01839;;CHEMBL286398;DOPC;CCM18;25;0;;;;;;;;-5.23849;;-3.99867;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Decanediol;MM00002;CCCCCCCCC(O)CO;YSRSBDQINUMTIF-UHFFFAOYSA-N;174.28;2.09;10888425;;;;DOPC;CCM18;25;0;;;;;;;;;;0.737259;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Hexanediol;MM00003;CCCCC(O)CO;FHKSXSQHXQEMOK-UHFFFAOYSA-N;118.18;0.53;94335;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.69463;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-Octanediol;MM00004;CCCCCCC(O)CO;AEIJTFQOBWATKX-UHFFFAOYSA-N;146.23;1.31;14231;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.187767;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2,4-Benzenetriol;MM00992;Oc1ccc(O)c(O)c1;GGNQRNBDZQJCCN-UHFFFAOYSA-N;126.11;0.8;10787;;;;DOPC;CCM18;25;0;;;;;;;;;;-4.5123;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Dichloropropene;MM00993;Cl/C=C/CCl;UOORRWUZONOOLO-OWOJBTEDSA-N;110.97;1.98;24726;;;;DOPC;CCM18;25;0;;;;;;;;1.8303;;-0.787216;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Propanediol;MM00313;OCCCO;YPFDHNVEDLHUCE-UHFFFAOYSA-N;76.1;-0.64;10442;DB02774;PDO;CHEMBL379652;DOPC;CCM18;25;0;;;;;;;;-5.37329;;-4.41388;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Decanediol;MM00005;CCCCCCCC(O)CCO;ANWMPOLHSRXCNH-UHFFFAOYSA-N;174.28;2.09;201483;;;;DOPC;CCM18;25;0;;;;;;;;;;0.215762;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1,3-Dimethyluric Acid";MM00996;Cn1c(=O)c2[nH]c(=O)[nH]c2n(C)c1=O;OTSBKHHWSQYEHK-UHFFFAOYSA-N;196.17;-1.75;70346;DBMET00326;;;DOPC;CCM18;25;0;;;;;;;;-0.82549;;-8.40509;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,3-Indanedione;MM00997;O=C1CC(=O)c2ccccc21;UHKAJLSKXBADFT-UHFFFAOYSA-N;146.15;1.46;11815;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.45572;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1,3,7-Trimethyluric Acid";MM00998;Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O;BYXCFUMGEBZDDI-UHFFFAOYSA-N;210.19;-1.74;79437;;;;DOPC;CCM18;25;0;;;;;;;;-0.808819;;-5.61297;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;DOPC;CCM18;25;0;;;;;;;;-1.32641;;-3.78645;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Decanediol;MM00006;CCCCCCC(O)CCCO;GFICPCFLWFXIJC-UHFFFAOYSA-N;174.28;2.09;12485271;;;;DOPC;CCM18;25;0;;;;;;;;;;0.227842;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,5-Decanediol;MM00007;CCCCCC(O)CCCCO;BMHXYCAVLBMDOD-UHFFFAOYSA-N;174.28;2.09;11499301;;;;DOPC;CCM18;25;0;;;;;;;;;;0.0616739;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DOPC;CCM18;25;0;;;;;;;;-0.0690951;;-2.46444;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Decanediol;MM00008;CCCCC(O)CCCCCO;WMTNCXUJZRJFHB-UHFFFAOYSA-N;174.28;2.09;11073917;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.143271;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1,7-Dimethyluric Acid";MM00973;Cn1c(=O)[nH]c2[nH]c(=O)n(C)c2c1=O;NOFNCLGCUJJPKU-UHFFFAOYSA-N;196.17;-1.75;91611;;;;DOPC;CCM18;25;0;;;;;;;;-0.743882;;-7.99771;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,7-Decanediol;MM00010;CCCC(O)CCCCCCO;QGNYXNXFYTZJHR-UHFFFAOYSA-N;174.28;2.09;22617082;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.367363;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Decanediol;MM00011;CCC(O)CCCCCCCO;GXNQEVBKQUQPGE-UHFFFAOYSA-N;174.28;2.09;17914602;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.595011;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,8-Octanediol;MM00012;OCCCCCCCCO;OEIJHBUUFURJLI-UHFFFAOYSA-N;146.23;1.31;69420;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.49683;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,9-Decadiene;MM01008;C=CCCCCCCC=C;NLDGJRWPPOSWLC-UHFFFAOYSA-N;138.25;3.7;15439;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.443582;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,9-Decanediol;MM00013;CC(O)CCCCCCCCO;BRBMYNGGGPTKKL-UHFFFAOYSA-N;174.28;2.09;10910076;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.05414;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Amino-4-Nitrophenol;MM00790;Nc1cc([N+](=O)[O-])ccc1O;VLZVIIYRNMWPSN-UHFFFAOYSA-N;154.13;0.88;3613389;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.50306;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butanone;MM00791;CCC(C)=O;ZWEHNKRNPOVVGH-UHFFFAOYSA-N;72.11;0.99;6569;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.58899;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Chlorophenol;MM00219;Oc1ccccc1Cl;ISPYQTSUDJAMAB-UHFFFAOYSA-N;128.56;2.05;7245;DB03110;2CH;CHEMBL108877;DOPC;CCM18;25;0;;;;;;;;;;-0.550443;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;DOPC;CCM18;25;0;;;;;;;;-5.47331;;-6.25848;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Ethoxyethanol;MM00792;CCOCCO;ZNQVEEAIQZEUHB-UHFFFAOYSA-N;90.12;0.02;8076;DB02249;ETX;CHEMBL119596;DOPC;CCM18;25;0;;;;;;;;-0.315349;;-2.02164;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Isopropoxyethanol;MM00023;CC(C)OCCO;HCGFUIQPSOCUHI-UHFFFAOYSA-N;104.15;0.4;7996;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.64518;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthol;MM00793;Oc1ccc2ccccc2c1;JWAZRIHNYRIHIV-UHFFFAOYSA-N;144.17;2.55;8663;;;CHEMBL14126;DOPC;CCM18;25;0;;;;;;;;;;-0.186999;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Phenyl-1,3-Propanediol Monocarbamate";MM01010;NC(=O)OCC(CO)c1ccccc1;JQVQIZWJBLGVRW-UHFFFAOYSA-N;195.22;0.86;213060;DBMET00282;;;DOPC;CCM18;25;0;;;;;;;;;;-2.72724;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenylethanol;MM00794;OCCc1ccccc1;WRMNZCZEMHIOCP-UHFFFAOYSA-N;122.17;1.22;6054;DB02192;PEL;CHEMBL448500;DOPC;CCM18;25;0;;;;;;;;;;-1.03994;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Butoxyethanol;MM00024;CCCCOCCO;POAOYUHQDCAZBD-UHFFFAOYSA-N;118.18;0.8;8133;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.00604;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-chloro-1,4-naphthoquinone;MM01011;O=C1C=C(Cl)C(=O)c2ccccc21;CCTJHVLTAJTPBV-UHFFFAOYSA-N;192.6;2.19;;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.08776;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Trifluoromethylsalicylic Acid";MM01013;O=C(O)c1ccc(C(F)(F)F)cc1O;XMLFPUBZFSJWCN-UHFFFAOYSA-N;206.12;2.11;164578;DBMET00686;;;DOPC;CCM18;25;0;;;;;;;;;;0.172932;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxyclomipramine;MM01014;CN(C)CCCN1c2ccccc2CCc2cc(O)c(Cl)cc21;QXZNSJJZRXNDJQ-UHFFFAOYSA-N;330.86;4.23;"10246110 ";DBMET00682;;;DOPC;CCM18;25;0;;;;;;;;;;-0.86304;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxydesipramine;MM00019;CNCCCN1c2ccccc2CCc2cc(O)ccc21;NVJBOLMRGMDGLD-UHFFFAOYSA-N;282.39;3.24;121249;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.412412;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxyflutamide;MM01017;CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1;YPQLFJODEKMJEF-UHFFFAOYSA-N;292.21;2.32;91649;DBMET00249;;;DOPC;CCM18;25;0;;;;;;;;2.3014;;-0.989422;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxyimipramine;MM01019;CN(C)CCCN1c2ccccc2CCc2cc(O)ccc21;ROTCPJFWLNDKHU-UHFFFAOYSA-N;296.41;3.58;108051;DBMET00254;;;DOPC;CCM18;25;0;;;;;;;;;;-0.46989;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxymethylolanzapine;MM01021;CN1CCN(C2=c3cc(CO)sc3=Nc3ccccc3N2)CC1;RVFCERGZNZDVTA-UHFFFAOYSA-N;328.44;0.93;9840400;DBMET00308;;;DOPC;CCM18;25;0;;;;;;;;;;-1.50328;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Hydroxymexiletine;MM00020;Cc1cc(O)cc(C)c1OCC(C)N;YWOSWRCXWBDSRQ-UHFFFAOYSA-N;195.26;1.74;93285;DBMET00259;;;DOPC;CCM18;25;0;;;;;;;;;;-1.65903;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Mercaptopropionic Acid";MM01024;CC(S)C(=O)O;PMNLUUOXGOOLSP-UHFFFAOYSA-N;106.15;0.39;62326;DBMET01416;;;DOPC;CCM18;25;0;;;;;;;;0.40558;;-1.69293;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Naphthylamine;MM00025;Nc1ccc2ccccc2c1;JBIJLHTVPXGSAM-UHFFFAOYSA-N;143.19;2.42;7057;;;CHEMBL278164;DOPC;CCM18;25;0;;;;;;;;;;-0.411862;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Nitro-P-phenylenediamine;MM00797;Nc1cccc([N+](=O)[O-])c1N;IOCXBXZBNOYTLQ-UHFFFAOYSA-N;153.14;0.76;4359525;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.77506;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Nitrotoluene;MM00140;Cc1ccccc1[N+](=O)[O-];PLAZTCDQAHEYBI-UHFFFAOYSA-N;137.14;1.9;6944;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.564043;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Phenoxyethanol;MM00026;OCCOc1ccccc1;QCDWFXQBSFUVSP-UHFFFAOYSA-N;138.17;1.06;31236;DB11304;268;CHEMBL1229846;DOPC;CCM18;25;0;;;;;;;;;;-0.936675;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Phthalimidoglutaramic Acid";MM01026;NC(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O;JMKLVQRQCLMCIN-UHFFFAOYSA-N;276.25;;98204;DBMET01116;;;DOPC;CCM18;25;0;;;;;;;;0.47069;;-5.60681;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Pyridylacetic Acid";MM01027;O=C(O)Cc1ccccn1;BPSNETAIJADFTO-UHFFFAOYSA-N;137.14;0.71;85318;DBMET00688;;;DOPC;CCM18;25;0;;;;;;;;;;-1.36213;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Nitrophenol;MM00225;O=[N+]([O-])c1cccc(O)c1;RTZZCYNQPHTPPL-UHFFFAOYSA-N;139.11;1.3;11137;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.999286;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-Hydroxycarbamazepine;MM00021;NC(=O)N1c2ccccc2C=Cc2ccc(O)cc21;QQCFBZCATDIWTH-UHFFFAOYSA-N;252.27;3.09;135290;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.9312;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Pregnenolone Sulfate";MM01028;CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C;DIJBBUIOWGGQOP-QGVNFLHTSA-N;396.55;4.34;105074;DBMET00654;;CHEMBL1179605;DOPC;CCM18;25;0;;;;;;;;;;-0.769518;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-Fluorouracil;MM00829;O=c1[nH]cc(F)c(=O)[nH]1;GHASVSINZRGABV-UHFFFAOYSA-N;130.08;-0.8;3385;DB00544;URF;CHEMBL185;DOPC;CCM18;25;0;;;;;;;;-0.0908871;;-6.03959;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-Carboxyfluorescein;MM00053;O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21;NJYVEMPWNAYQQN-UHFFFAOYSA-N;376.32;3.36;123755;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.55858;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-Methylcoumarin;MM00830;Cc1ccc2oc(=O)ccc2c1;FXFYOPQLGGEACP-UHFFFAOYSA-N;160.17;2.1;7092;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.246023;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-ethoxycoumarin;MM00831;CCOc1ccc2ccc(=O)oc2c1;LIFAQMGORKPVDH-UHFFFAOYSA-N;190.2;2.19;35703;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.2643;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-bromo-2-chloroacetonitrile;MM00924;N#CC(Cl)Br;BMWPPNAUMLRKML-UHFFFAOYSA-N;154.39;1.47;55004;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.88286;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;DOPC;CCM18;25;0;;;;;;;;;;-1.71059;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromo(dichloro)methane;MM00925;ClC(Cl)Br;FMWLUWPQPKEARP-UHFFFAOYSA-N;163.83;2.14;6359;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.457576;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromoform;MM00027;BrC(Br)Br;DIKBFYAXUHHXCS-UHFFFAOYSA-N;252.73;2.45;5558;DB03054;MBR;CHEMBL345248;DOPC;CCM18;25;0;;;;;;;;;;0.199658;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;DOPC;CCM18;25;0;;;;;;;;;;-1.05949;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;DOPC;CCM18;25;0;;;;;;;;;;-2.68021;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;DOPC;CCM18;25;0;;;;;;;;;;-0.810605;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;DOPC;CCM18;25;0;;;;;;;;;;-0.883947;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;DOPC;CCM18;25;0;;;;;;;;;;-1.60695;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-(dibutylamino)propyl 4-aminobenzoate";MM00457;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;HQFWVSGBVLEQGA-UHFFFAOYSA-N;306.45;3.72;2480;;;;DOPC;CCM18;25;0;;;;;;;;;;0.447251;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DOPC;CCM18;25;0;;;;;;;;;;-1.18224;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione;MM00844;CCCCC1(CC)C(=O)NC(=O)NC1=O;STDBAQMTJLUMFW-UHFFFAOYSA-N;212.25;0.94;6473;DB01353;;CHEMBL404422;DOPC;CCM18;25;0;;;;;;;;;;-2.97205;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl P-aminobenzoate";MM00028;CCCCOC(=O)c1ccc(N)cc1;IUWVALYLNVXWKX-UHFFFAOYSA-N;193.25;2.23;2482;DB11148;;CHEMBL127516;DOPC;CCM18;25;0;;;;;;;;;;-0.318549;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyl 4-hydroxybenzoate";MM00029;CCCCOC(=O)c1ccc(O)cc1;QFOHBWFCKVYLES-UHFFFAOYSA-N;194.23;2.35;7184;;;;DOPC;CCM18;25;0;;;;;;;;2.8085;;-0.165379;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cyclothiazide;MM00350;NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O;BOCUKUHCLICSIY-UHFFFAOYSA-N;389.89;1.23;2910;DB00606;CYZ;CHEMBL61593;DOPC;CCM18;25;0;;;;;;;;;;-4.81447;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine;MM00472;CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1;JJCFRYNCJDLXIK-UHFFFAOYSA-N;287.41;4.7;2913;DB00434;C7H;CHEMBL516;DOPC;CCM18;25;0;;;;;;;;;;-0.975307;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cytarabine;MM00929;Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1;UHDGCWIWMRVCDJ-UHFFFAOYSA-N;243.22;-2.56;6253;DB00987;AR3;CHEMBL803;DOPC;CCM18;25;0;;;;;;;;-5.47713;;-11.6066;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-Fructose;MM00351;OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O;LKDRXBCSQODPBY-VRPWFDPXSA-N;180.16;-3.22;2723872;;;;DOPC;CCM18;25;0;;;;;;;;-5.47635;;-6.73862;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;DOPC;CCM18;25;0;;;;;;;;-4.09189;;-9.42795;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;DOPC;CCM18;25;0;;;;;;;;1.4625;;-1.25148;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D8-tetrahydrocannabinol;MM00852;CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21;HCAWPGARWVBULJ-UHFFFAOYSA-N;314.47;5.74;2977;;;;DOPC;CCM18;25;0;;;;;;;;;;0.0693192;;;;;;;;;;;;"in-house calculations";"in-house calculations"
DPDPE;MM00731;CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(=O)O;MCMMCRYPQBNCPH-UHFFFAOYSA-N;645.8;1.11;104787;DB08861;;CHEMBL31421;DOPC;CCM18;25;0;;;;;;;;;;-6.62423;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;MM00930;O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12;ZQSIJRDFPHDXIC-UHFFFAOYSA-N;254.24;2.87;5281708;;;;DOPC;CCM18;25;0;;;;;;;;1.5864;;-1.99704;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Danazol;MM00353;C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C;POZRVZJJTULAOH-LHZXLZLDSA-N;337.46;4.22;28417;DB01406;;CHEMBL1479;DOPC;CCM18;25;0;;;;;;;;;;-1.1967;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Decan-1-ol;MM00853;CCCCCCCCCCO;MWKFXSUHUHTGQN-UHFFFAOYSA-N;158.29;3.12;8174;;;;DOPC;CCM18;25;0;;;;;;;;;;1.18058;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;DOPC;CCM18;25;0;;;;;;;;;;-0.810608;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;DOPC;CCM18;25;0;;;;;;;;;;-2.26282;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dextromethorphan;MM00475;COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3;MKXZASYAUGDDCJ-UHFFFAOYSA-N;271.4;3.38;5360696;DB00514;;CHEMBL52440;DOPC;CCM18;25;0;;;;;;;;;;-1.31687;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;MM00476;CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13;JAQUASYNZVUNQP-PVAVHDDUSA-N;257.38;3.08;5360697;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.628618;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2-bis(oxiran-2-yl)ethane-1,2-diol;MM00356;OC(C1CO1)C(O)C1CO1;AAFJXZWCNVJTMK-UHFFFAOYSA-N;146.14;-1.49;31789;DB12873;;CHEMBL3137322;DOPC;CCM18;25;0;;;;;;;;-2.55415;;-3.80471;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;DOPC;CCM18;25;0;;;;;;;;2.88;;-0.75;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane;MM00931;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;FHIVAFMUCKRCQO-UHFFFAOYSA-N;304.35;3.58;3017;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.13829;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dibromoacetonitrile;MM00933;N#CC(Br)Br;NDSBDLSWTGLNQA-UHFFFAOYSA-N;198.85;1.63;18617;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.624997;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,2-dichloroacetonitrile;MM00935;N#CC(Cl)Cl;STZZWJCGRKXEFF-UHFFFAOYSA-N;109.94;1.31;18177;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.810563;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;CCM18;25;0;;;;;;;;;;0.0231149;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-diethyl-4-methylpiperazine-1-carboxamide;MM00854;CCN(CC)C(=O)N1CCN(C)CC1;RCKMWOKWVGPNJF-UHFFFAOYSA-N;199.3;0.7;3052;DB00711;;CHEMBL684;DOPC;CCM18;25;0;;;;;;;;;;-1.15893;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-(2-hydroxyethoxy)ethanol;MM00014;OCCOCCO;MTHSVFCYNBDYFN-UHFFFAOYSA-N;106.12;-1.01;8117;;;;DOPC;CCM18;25;0;;;;;;;;-2.29946;;-3.06546;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Diethylene Glycol Butyl Ether";MM00855;CCCCOCCOCCOCCCC;KZVBBTZJMSWGTK-UHFFFAOYSA-N;218.34;2.64;8177;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.27164;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethoxyethane;MM00936;CCOCC;RTZKZFJDLAIYFH-UHFFFAOYSA-N;74.12;1.04;3283;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.35726;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Digitoxin;MM00857;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;WDJUZGPOPHTGOT-UHFFFAOYSA-N;764.95;3.25;441207;DB01396;;CHEMBL254219;DOPC;CCM18;25;0;;;;;;;;;;-2.34218;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;DOPC;CCM18;25;0;;;;;;;;;;-4.51804;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dihydromorphine;MM00858;CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5;IJVCSMSMFSCRME-KBQPJGBKSA-N;287.36;1.42;5359421;DB01565;;CHEMBL1500;DOPC;CCM18;25;0;;;;;;;;;;-1.30345;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;DOPC;CCM18;25;0;;;;;;;;;;-2.07079;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;MM00937;CNC(=O)CSP(=S)(OC)OC;MCWXGJITAZMZEV-UHFFFAOYSA-N;229.26;0.98;3082;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.53514;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethylethanamine;MM00859;CCN(C)C;DAZXVJBJRMWXJP-UHFFFAOYSA-N;73.14;0.57;11723;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.19826;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;DOPC;CCM18;25;0;;;;;;;;;;-0.90787;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;DOPC;CCM18;25;0;;;;;;;;;;-3.17558;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide;MM00480;CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C;UVTNFZQICZKOEM-UHFFFAOYSA-N;339.48;3.36;3114;DB00280;;CHEMBL517;DOPC;CCM18;25;0;;;;;;;;;;-0.566703;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;DOPC;CCM18;25;0;;;;;;;;;;-1.42814;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;DOPC;CCM18;25;0;;;;;;;;6.1607;;-0.86536;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;DOPC;CCM18;25;0;;;;;;;;;;-2.74072;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine;MM00484;CN(C)CCC=C1c2ccccc2COc2ccccc21;ODQWQRRAPPTVAG-UHFFFAOYSA-N;279.38;3.96;667477;DB01142;D7V;CHEMBL101740;DOPC;CCM18;25;0;;;;;;;;;;-0.9797;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;DOPC;CCM18;25;0;;;;;;;;1.0628;;-3.33088;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Propylideneoctanoic Acid";MM00860;CCC=C(CCCCCC)C(=O)O;WAYFJTUZNWOHQH-UHFFFAOYSA-N;184.28;3.38;54421236;;;;DOPC;CCM18;25;0;;;;;;;;;;0.246092;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enalaprilat;MM00732;CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;LZFZMUMEGBBDTC-UHFFFAOYSA-N;348.4;1.13;5462501;DB09477;EAL;CHEMBL577;DOPC;CCM18;25;0;;;;;;;;;;-1.50516;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;DOPC;CCM18;25;0;;;;;;;;;;-2.58075;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enrofloxacin;MM00734;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;SPFYMRJSYKOXGV-UHFFFAOYSA-N;359.4;2.32;71188;;;;DOPC;CCM18;25;0;;;;;;;;3.2747;;-1.06156;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;DOPC;CCM18;25;0;;;;;;;;;;-1.09745;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;DOPC;CCM18;25;0;;;;;;;;;;-3.57735;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ergonovine;MM00487;CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1;WVVSZNPYNCNODU-UHFFFAOYSA-N;325.41;1.53;443884;DB01253;;CHEMBL119443;DOPC;CCM18;25;0;;;;;;;;;;-1.68603;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ergotamine;MM00488;CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21;XCGSFFUVFURLIX-VFGNJEKYSA-N;581.67;1.99;8223;DB00696;ERM;CHEMBL442;DOPC;CCM18;25;0;;;;;;;;;;-1.78325;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Meso-erythritol;MM00068;OC[C@H](O)[C@H](O)CO;UNXHWFMMPAWVPI-ZXZARUISSA-N;122.12;-2.31;222285;DB04481;MRY;CHEMBL349605;DOPC;CCM18;25;0;;;;;;;;-5.44031;;-4.99828;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;DOPC;CCM18;25;0;;;;;;;;;;-2.92617;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;DOPC;CCM18;25;0;;;;;;;;;;-0.938283;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estriol;MM00201;C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O;PROQIPRRNZUXQM-ZXXIGWHRSA-N;288.39;2.58;5756;DB04573;ESL;CHEMBL193482;DOPC;CCM18;25;0;;;;;;;;;;-1.84893;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estrone;MM00114;CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O;DNXHEGUUPJUMQT-UHFFFAOYSA-N;270.37;3.82;5870;DB00655;J3Z;CHEMBL1405;DOPC;CCM18;25;0;;;;;;;;;;-1.0685;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DOPC;CCM18;25;0;;;;;;;;-0.381187;;-2.02272;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanolamine;MM00490;NCCO;HZAXFHJVJLSVMW-UHFFFAOYSA-N;61.08;-1.06;700;DB03994;ETA;CHEMBL104943;DOPC;CCM18;25;0;;;;;;;;-5.37549;;-4.42262;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;DOPC;CCM18;25;0;;;;;;;;;;-2.87384;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;DOPC;CCM18;25;0;;;;;;;;-0.0988084;;-1.85427;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethylbenzene;MM00861;CCc1ccccc1;YNQLUTRBYVCPMQ-UHFFFAOYSA-N;106.17;2.25;7500;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.528119;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid";MM00946;CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3;NNYBQONXHNTVIJ-UHFFFAOYSA-N;287.36;3.38;3308;DB00749;;CHEMBL622;DOPC;CCM18;25;0;;;;;;;;;;-0.398014;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Etoposide;MM00361;COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O;VJJPUSNTGOMMGY-UHFFFAOYSA-N;588.56;1.34;36462;DB00773;EVP;CHEMBL44657;DOPC;CCM18;25;0;;;;;;;;;;-2.87906;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM01031;MM01031;Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1;MNJVRJDLRVPLFE-UHFFFAOYSA-N;358.85;4.18;;DB01628;;;DOPC;CCM18;25;0;;;;;;;;;;-1.54067;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Etorphine;MM00863;CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5;CAHCBJPUTCKATP-FAWZKKEFSA-N;411.54;3.16;644209;DB01497;;;DOPC;CCM18;25;0;;;;;;;;;;-1.18606;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-methylimidazo[4,5-f]quinolin-2-amine;MM00880;Cn1c(N)nc2c3cccnc3ccc21;ARZWATDYIYAUTA-UHFFFAOYSA-N;198.23;1.7;53462;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.74047;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;CCM18;25;0;;;;;;;;;;0.315369;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Imatinib;MM00503;Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1;KTUFNOKKBVMGRW-UHFFFAOYSA-N;493.62;4.59;5291;DB00619;STI;CHEMBL941;DOPC;CCM18;25;0;;;;;;;;;;-1.35171;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;DOPC;CCM18;25;0;;;;;;;;;;-0.943325;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;DOPC;CCM18;25;0;;;;;;;;;;-0.363049;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Iso-thymol;MM00954;Cc1ccc(C(C)C)cc1O;RECUKUPTGUEGMW-UHFFFAOYSA-N;150.22;2.82;10364;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.295576;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isobutyramide;MM00378;CC(C)C(N)=O;WFKAJVHLWXSISD-UHFFFAOYSA-N;87.12;0.13;68424;;;;DOPC;CCM18;25;0;;;;;;;;-0.0242024;;-2.77135;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;MM00379;Cc1cc(C(=O)NNCc2ccccc2)no1;XKFPYPQQHFEXRZ-UHFFFAOYSA-N;231.26;1.42;3759;DB01247;;;DOPC;CCM18;25;0;;;;;;;;1.3611;;-1.39908;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methoxy-4-[(E)-prop-1-enyl]phenol;MM00881;C/C=C/c1ccc(O)c(OC)c1;BJIOGJUNALELMI-ONEGZZNKSA-N;164.2;2.43;853433;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.160454;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;DOPC;CCM18;25;0;;;;;;;;-0.0437329;;-1.79819;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isoquinoline;MM00882;c1ccc2cnccc2c1;AWJUIBRHMBBTKR-UHFFFAOYSA-N;129.16;2.23;8405;DB04329;ISQ;CHEMBL12315;DOPC;CCM18;25;0;;;;;;;;;;-0.669062;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isoxicam;MM00660;Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1;YYUAYBYLJSNDCX-UHFFFAOYSA-N;335.34;1.48;54677972;DB08942;ICD;CHEMBL53292;DOPC;CCM18;25;0;;;;;;;;;;-0.874925;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;MM00661;O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12;IYRMWMYZSQPJKC-UHFFFAOYSA-N;286.24;2.28;5280863;DB01852;KMP;CHEMBL150;DOPC;CCM18;25;0;;;;;;;;;;-0.576211;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;MM00956;CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1;ALFGKMXHOUSVAD-UHFFFAOYSA-N;247.34;2.33;10101;DB06738;;CHEMBL47072;DOPC;CCM18;25;0;;;;;;;;;;-1.05283;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;DOPC;CCM18;25;0;;;;;;;;;;-0.57063;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid";MM00957;O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O;OZWKMVRBQXNZKK-UHFFFAOYSA-N;255.27;2.29;3826;DB00465;;CHEMBL469;DOPC;CCM18;25;0;;;;;;;;;;-0.722731;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;DOPC;CCM18;25;0;;;;;;;;;;-4.52884;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Kynurenine;MM00751;Nc1ccccc1C(=O)C[C@H](N)C(=O)O;YGPSJZOEDVAXAB-QMMMGPOBSA-N;208.22;0.25;161166;DB02070;KYN;CHEMBL498416;DOPC;CCM18;25;0;;;;;;;;;;-2.19016;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-alanyl-L-tryptophan;MM00883;CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O;WUGMRIBZSVSJNP-UHFFFAOYSA-N;275.31;0.63;85362;;;;DOPC;CCM18;25;0;;;;;;;;;;-4.64831;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;DOPC;CCM18;25;0;;;;;;;;;;0.209555;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;MM00382;Nc1ccn(C2CSC(CO)O2)c(=O)n1;JTEGQNOMFQHVDC-UHFFFAOYSA-N;229.26;-0.59;60825;DB00709;3TC;CHEMBL141;DOPC;CCM18;25;0;;;;;;;;-1.14851;;-7.95333;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;DOPC;CCM18;25;0;;;;;;;;0.9884;;-2.63397;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lansoprazole;MM00384;Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1;MJIHNNLFOKEZEW-UHFFFAOYSA-N;369.37;3.52;3883;DB00448;;CHEMBL480;DOPC;CCM18;25;0;;;;;;;;;;-0.852809;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;DOPC;CCM18;25;0;;;;;;;;;;-3.02478;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;DOPC;CCM18;25;0;;;;;;;;;;-0.749931;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;DOPC;CCM18;25;0;;;;;;;;;;-3.00336;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Loratadine;MM00385;CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1;JCCNYMKQOSZNPW-UHFFFAOYSA-N;382.89;4.89;3957;DB00455;;CHEMBL998;DOPC;CCM18;25;0;;;;;;;;;;-1.23854;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;MM00960;CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O;WLHQHAUOOXYABV-UHFFFAOYSA-N;371.83;2.3;54690031;DB06725;;CHEMBL1569487;DOPC;CCM18;25;0;;;;;;;;;;-0.59569;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;DOPC;CCM18;25;0;;;;;;;;;;-1.28767;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methylurea;MM00389;CNC(N)=O;XGEGHDBEHXKFPX-UHFFFAOYSA-N;74.08;-0.72;11719;;;;DOPC;CCM18;25;0;;;;;;;;-0.786375;;-5.61783;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metipranolol;MM00516;CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C;BQIPXWYNLPYNHW-UHFFFAOYSA-N;309.41;2.27;31477;DB01214;;CHEMBL1291;DOPC;CCM18;25;0;;;;;;;;3.1538;;-1.4144;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;MM00517;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;TTWJBBZEZQICBI-UHFFFAOYSA-N;299.8;2;4168;DB01233;;CHEMBL86;DOPC;CCM18;25;0;;;;;;;;;;-0.835526;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;DOPC;CCM18;25;0;;;;;;;;2.4125;;-3.84425;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;DOPC;CCM18;25;0;;;;;;;;;;-1.14014;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metronidazole;MM00391;Cc1ncc([N+](=O)[O-])n1CCO;VAOCPAMSLUNLGC-UHFFFAOYSA-N;171.16;0.09;4173;DB00916;2MN;CHEMBL137;DOPC;CCM18;25;0;;;;;;;;;;-2.40548;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-(2,6-dimethylphenoxy)propan-2-amine;MM00518;Cc1cccc(C)c1OCC(C)N;VLPIATFUUWWMKC-UHFFFAOYSA-N;179.26;2.03;4178;DB00379;;CHEMBL558;DOPC;CCM18;25;0;;;;;;;;;;-0.697837;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;MM00088;Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1;BYBLEWFAAKGYCD-UHFFFAOYSA-N;416.14;6.45;4189;DB01110;;CHEMBL91;DOPC;CCM18;25;0;;;;;;;;;;-0.691976;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;DOPC;CCM18;25;0;;;;;;;;;;-0.837975;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;DOPC;CCM18;25;0;;;;;;;;;;-1.00391;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol;MM00521;COCC(O)Cn1ccnc1[N+](=O)[O-];OBBCSXFCDPPXOL-UHFFFAOYSA-N;201.18;-0.2;26105;DB11716;;CHEMBL42161;DOPC;CCM18;25;0;;;;;;;;;;-2.68949;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Montelukast;MM00669;CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1;UCHDWCPVSPXUMX-UHFFFAOYSA-N;586.2;8.95;5281040;DB00471;MTK;CHEMBL787;DOPC;CCM18;25;0;;;;;;;;;;-0.675217;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine;MM00523;Cc1ccsc1/C=C/C1=NCCCN1C;NVEPPWDVLBMNMB-SNAWJCMRSA-N;220.34;2.8;5353792;;;;DOPC;CCM18;25;0;;;;;;;;4.1203;;-0.597007;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;DOPC;CCM18;25;0;;;;;;;;;;-1.37017;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;DOPC;CCM18;25;0;;;;;;;;3.1616;;-1.87363;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;DOPC;CCM18;25;0;;;;;;;;;;-1.20281;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nalbuphine;MM00526;Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314;NETZHAKZCGBWSS-CEDHKZHLSA-N;357.45;1.71;5311304;DB00844;;CHEMBL895;DOPC;CCM18;25;0;;;;;;;;;;-0.333499;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;DOPC;CCM18;25;0;;;;;;;;1.7917;;-0.993077;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naltrindole;MM00527;Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314;WIYUZYBFCWCCQJ-IFKAHUTRSA-N;414.51;3.57;5497186;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.370907;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naphthalene;MM00890;c1ccc2ccccc2c1;UFWIBTONFRDIAS-UHFFFAOYSA-N;128.17;2.84;931;;;;DOPC;CCM18;25;0;;;;;;;;3.8262;;-0.175596;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;DOPC;CCM18;25;0;;;;;;;;;;-0.152165;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;DOPC;CCM18;25;0;;;;;;;;;;-1.09397;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Neotrofin;MM00674;O=C(CCn1cnc2c(=O)nc[nH]c21)Nc1ccc(C(=O)[O-])cc1.[K+];MICLTPPSCUXHJT-UHFFFAOYSA-M;365.39;-3.48;23663995;;;;DOPC;CCM18;25;0;;;;;;;;;;-7.07213;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;DOPC;CCM18;25;0;;;;;;;;-1.47863;;-8.39592;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;DOPC;CCM18;25;0;;;;;;;;;;-1.46548;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(pyridine-3-carbonylamino)ethyl nitrate";MM00891;O=C(NCCO[N+](=O)[O-])c1cccnc1;LBHIOVVIQHSOQN-UHFFFAOYSA-N;211.18;0.02;47528;DB09220;;CHEMBL284906;DOPC;CCM18;25;0;;;;;;;;1.3924;;-1.16332;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;DOPC;CCM18;25;0;;;;;;;;;;-0.777408;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-nitro-2-phenoxymethanesulfonanilide;MM00279;CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1;HYWYRSMBCFDLJT-UHFFFAOYSA-N;308.32;2.76;4495;DB04743;NIM;CHEMBL56367;DOPC;CCM18;25;0;;;;;;;;;;-0.408402;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nitrobenzene;MM00136;O=[N+]([O-])c1ccccc1;LQNUZADURLCDLV-UHFFFAOYSA-N;123.11;1.59;7416;;;;DOPC;CCM18;25;0;;;;;;;;1.5118;;-0.696074;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propane-1,2,3-triyl trinitrate";MM00893;O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-];SNIOPGDIGTZGOP-UHFFFAOYSA-N;227.09;-1.02;4510;DB00727;TNG;CHEMBL730;DOPC;CCM18;25;0;;;;;;;;;;-0.0812696;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nizatidine;MM00084;CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1;SGXXNSQHWDMGGP-UHFFFAOYSA-N;331.47;1.32;3033637;DB00585;;CHEMBL3183075;DOPC;CCM18;25;0;;;;;;;;1.5536;;-1.69039;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nonan-1-ol;MM00894;CCCCCCCCCO;ZWRUINPWMLAQRD-UHFFFAOYSA-N;144.26;2.73;8914;DB03143;F09;CHEMBL24563;DOPC;CCM18;25;0;;;;;;;;;;1.07413;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;DOPC;CCM18;25;0;;;;;;;;;;-4.91524;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;DOPC;CCM18;25;0;;;;;;;;;;-0.593583;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-methylphenol;MM01283;Cc1ccccc1O;QWVGKYWNOKOFNN-UHFFFAOYSA-N;108.14;1.7;335;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.85211;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Phenylenediamine;MM00282;Nc1ccccc1N;GEYOCULIXLDCMW-UHFFFAOYSA-N;108.14;0.85;7243;;;;DOPC;CCM18;25;0;;;;;;;;-0.144029;;-2.05402;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-toluidine;MM00284;Cc1ccccc1N;RNVCVTLRINQCPJ-UHFFFAOYSA-N;107.16;1.58;7242;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.00504;;;;;;;;;;;;"in-house calculations";"in-house calculations"
O-Tolunitrile;MM00285;Cc1ccccc1C#N;NWPNXBQSRGKSJB-UHFFFAOYSA-N;117.15;1.87;10721;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.518745;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Octan-1-ol;MM00895;CCCCCCCCO;KBPLFHHGFOOTCA-UHFFFAOYSA-N;130.23;2.34;957;DB12452;OC9;CHEMBL26215;DOPC;CCM18;25;0;;;;;;;;;;0.81593;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octyl 4-hydroxybenzoate";MM00287;CCCCCCCCOC(=O)c1ccc(O)cc1;RIKCMEDSBFQFAL-UHFFFAOYSA-N;250.34;3.91;14642;;;;DOPC;CCM18;25;0;;;;;;;;;;0.86368;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ouabain;MM00896;CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O;LPMXVESGRSUGHW-UHFFFAOYSA-N;584.66;-1.52;439501;DB01092;OBN;CHEMBL222863;DOPC;CCM18;25;0;;;;;;;;-3.22862;;-11.4283;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxazolone;MM00897;CCOC=C1N=C(c2ccccc2)OC1=O;SJHPCNCNNSSLPL-UHFFFAOYSA-N;217.22;1.87;1712094;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.807847;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;DOPC;CCM18;25;0;;;;;;;;;;-1.31102;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Oxycodone;MM00533;COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314;BRUQQQPBMZOVGD-XFKAJCMBSA-N;315.37;1.05;5284603;DB00497;;CHEMBL656;DOPC;CCM18;25;0;;;;;;;;1.7342;;-1.38064;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propanamide;MM00413;CCC(N)=O;QLNJFJADRCOGBJ-UHFFFAOYSA-N;73.1;-0.12;6578;DB04161;ROP;CHEMBL1235716;DOPC;CCM18;25;0;;;;;;;;-0.484378;;-3.52764;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propoxyphene;MM00552;CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C;XLMALTXPSGQGBX-GCJKJVERSA-N;339.48;4.28;10100;DB00647;;CHEMBL1213351;DOPC;CCM18;25;0;;;;;;;;;;-1.50379;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DOPC;CCM18;25;0;;;;;;;;;;-0.780212;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propyl 4-hydroxybenzoate";MM00299;CCCOC(=O)c1ccc(O)cc1;QELSKZZBTMNZEB-UHFFFAOYSA-N;180.2;1.96;7175;;;;DOPC;CCM18;25;0;;;;;;;;2.2912;;-0.466817;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;DOPC;CCM18;25;0;;;;;;;;;;-3.29999;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pumafentrine;MM00554;CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21;CVDXFPBVOIERBH-JWQCQUIFSA-N;477.65;4.99;3052763;;;;DOPC;CCM18;25;0;;;;;;;;6.67985;;-1.78183;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pyridoxine;MM00555;Cc1ncc(CO)c(CO)c1O;LXNHXLLTXMVWPM-UHFFFAOYSA-N;169.18;0.08;1054;DB00165;UEG;CHEMBL1364;DOPC;CCM18;25;0;;;;;;;;-0.227191;;-6.41992;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;MM00556;CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1;WKSAUQYGYAYLPV-UHFFFAOYSA-N;248.72;2.52;4993;DB00205;CP6;CHEMBL36;DOPC;CCM18;25;0;;;;;;;;;;-0.539267;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benzene-1,2,3-triol;MM00300;Oc1cccc(O)c1O;WQGWDDDVZFFDIG-UHFFFAOYSA-N;126.11;0.8;1057;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.464;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;DOPC;CCM18;25;0;;;;;;;;;;-1.83524;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;DOPC;CCM18;25;0;;;;;;;;;;-0.939826;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;DOPC;CCM18;25;0;;;;;;;;3.5466;;-1.14584;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;DOPC;CCM18;25;0;;;;;;;;;;-0.987169;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,2,3,4,5-pentachloro-6-nitrobenzene;MM00416;O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;LKPLKUMXSAEKID-UHFFFAOYSA-N;295.34;4.86;6720;;;;DOPC;CCM18;25;0;;;;;;;;;;0.0880195;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Raffinose;MM00301;OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O;MUPFEKGTMRGPLJ-ZQSKZDJDSA-N;504.44;-7.57;439242;;;;DOPC;CCM18;25;0;;;;;;;;-5.47713;;-14.9591;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.14392;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Resorcinol;MM00903;Oc1cccc(O)c1;GHMLBKRAJCXXBS-UHFFFAOYSA-N;110.11;1.1;5054;DB11085;RCO;CHEMBL24147;DOPC;CCM18;25;0;;;;;;;;;;-2.92411;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Resveratrol;MM00418;Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1;LUKBXSAWLPMMSZ-UHFFFAOYSA-N;228.25;2.97;445154;DB06273;;CHEMBL1237022;DOPC;CCM18;25;0;;;;;;;;;;-2.23204;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-(1-adamantyl)ethanamine;MM00560;CC(N)C12CC3CC(CC(C3)C1)C2;UBCHPRBFMUDMNC-UHFFFAOYSA-N;179.31;2.55;5071;DB00478;;CHEMBL959;DOPC;CCM18;25;0;;;;;;;;;;0.245383;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;DOPC;CCM18;25;0;;;;;;;;;;-1.13729;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;MM00562;CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12;ULFRLSNUDGIQQP-UHFFFAOYSA-N;269.35;1.91;5078;DB00953;;CHEMBL905;DOPC;CCM18;25;0;;;;;;;;;;-1.13413;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;DOPC;CCM18;25;0;;;;;;;;;;-1.11828;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;DOPC;CCM18;25;0;;;;;;;;-0.0838858;;-4.03925;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-phenylpteridine-2,4,7-triamine;MM00577;Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1;FNYLWPVRPXGIIP-UHFFFAOYSA-N;253.27;0.83;5546;DB00384;DX2;CHEMBL585;DOPC;CCM18;25;0;;;;;;;;;;-4.35742;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chloroform;MM00912;ClC(Cl)Cl;HEDRZPFGACZZDS-UHFFFAOYSA-N;119.38;1.99;6212;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.137467;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Triclosan;MM00310;Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl;XEFQLINVKFYRCS-UHFFFAOYSA-N;289.55;5.14;5564;DB08604;TCL;CHEMBL849;DOPC;CCM18;25;0;;;;;;;;;;0.0333291;;;;;;;;;;;;"in-house calculations";"in-house calculations"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;DOPC;CCM18;25;0;;;;;;;;;;-1.3534;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;MM00580;OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1;HWHLPVGTWGOCJO-UHFFFAOYSA-N;301.47;4.33;5572;DB00376;;CHEMBL1490;DOPC;CCM18;25;0;;;;;;;;;;-0.814471;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;DOPC;CCM18;25;0;;;;;;;;;;-2.46317;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Trimipramine;MM00254;CC(CN(C)C)CN1c2ccccc2CCc2ccccc21;ZSCDBOWYZJWBIY-UHFFFAOYSA-N;294.44;4.12;5584;DB00726;;CHEMBL644;DOPC;CCM18;25;0;;;;;;;;;;-1.03742;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,5,9-trimethylfuro[3,2-g]chromen-7-one;MM00429;Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1;FMHHVULEAZTJMA-UHFFFAOYSA-N;228.25;3.46;5585;DB04571;;CHEMBL1475;DOPC;CCM18;25;0;;;;;;;;;;-0.178942;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Trovafloxacin;MM00774;NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12;WVPSKSLAZQPAKQ-SOSAQKQKSA-N;416.36;1.89;62959;DB00685;TR6;CHEMBL428;DOPC;CCM18;25;0;;;;;;;;;;-1.30123;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;DOPC;CCM18;25;0;;;;;;;;;;-0.973036;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;MM00583;CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1;PGZRDDYTKFZSFR-ONTIZHBOSA-N;356.51;3.25;105104;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.92565;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;DOPC;CCM18;25;0;;;;;;;;-0.403734;;-5.39181;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide;MM00430;Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1;LNPDTQAFDNKSHK-UHFFFAOYSA-N;314.37;2.96;119607;DB00580;COX;CHEMBL865;DOPC;CCM18;25;0;;;;;;;;;;-0.973773;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Valsartan;MM00311;CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C;ACWBQPMHZXGDFX-UHFFFAOYSA-N;435.53;4.16;60846;DB00177;;CHEMBL1069;DOPC;CCM18;25;0;;;;;;;;;;-1.2131;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-hydroxy-3-methoxybenzaldehyde;MM00913;COc1cc(C=O)ccc1O;MWOOGOJBHIARFG-UHFFFAOYSA-N;152.15;1.21;1183;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.22403;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;MM00584;COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1;PNVNVHUZROJLTJ-UHFFFAOYSA-N;277.41;3.04;5656;DB00285;;CHEMBL637;DOPC;CCM18;25;0;;;;;;;;;;-1.18607;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;DOPC;CCM18;25;0;;;;;;;;;;-1.64797;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;DOPC;CCM18;25;0;;;;;;;;;;-4.6096;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Vincristine;MM00587;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;OGWKCGZFUXNPDA-UHFFFAOYSA-N;824.97;3.52;5978;DB00541;;CHEMBL90555;DOPC;CCM18;25;0;;;;;;;;;;-3.91084;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;DOPC;CCM18;25;0;;;;;;;;;;-0.687197;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;CCM18;25;0;;;;;;;;-1.84384;;-4.60701;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zaleplon;MM00434;CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1;HUNXMJYCHXQEGX-UHFFFAOYSA-N;305.34;2.64;5719;DB00962;;CHEMBL1521;DOPC;CCM18;25;0;;;;;;;;;;-1.57935;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zearalenone;MM00312;C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1;MBMQEIFVQACCCH-QBODLPLBSA-N;318.37;3.58;5281576;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.05322;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;DOPC;CCM18;25;0;;;;;;;;-0.0703064;;-4.63411;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;MM00588;CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1;OYPPVKRFBIWMSX-SXGWCWSVSA-N;317.23;3.84;5365247;DB04832;;CHEMBL37744;DOPC;CCM18;25;0;;;;;;;;;;-1.10871;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;DOPC;CCM18;25;0;;;;;;;;;;-0.616772;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;MM00590;CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12;ULSDMUVEXKOYBU-UHFFFAOYSA-N;287.36;1.92;60857;DB00315;;CHEMBL1185;DOPC;CCM18;25;0;;;;;;;;;;-0.982312;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;MM00591;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;ZAFYATHCZYHLPB-UHFFFAOYSA-N;307.4;3.25;5732;DB00425;;CHEMBL911;DOPC;CCM18;25;0;;;;;;;;;;-1.02865;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid";MM00713;Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1;ZXVNMYWKKDOREA-UHFFFAOYSA-N;291.73;2.85;5733;DB04828;ZOM;CHEMBL19490;DOPC;CCM18;25;0;;;;;;;;3.1335;;-0.394373;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CERNS;CCM18;25;0;;3.518;;3.6;;0.171;;-1.001;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;CERNS;CCM18;25;0;;1.915;;4.247;;8.102;;5.081;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpropamide;MM01032;CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1;RKWGIWYCVPQPMF-UHFFFAOYSA-N;276.75;1.74;2727;DB00672;;CHEMBL498;CERNS;CCM18;25;0;;2.182;;4.843;;3.642;;1.866;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;CERNS;CCM18;25;0;;2.093;;1.625;;3.926;;2.288;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;CERNS;CCM18;25;0;;2.004;;8.014;;6.841;;4.04;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;CERNS;CCM18;25;0;;2.271;;11.692;;4.292;;2.112;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CERNS;CCM18;25;0;;1.915;;2.3;;4.306;;2.537;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;CERNS;CCM18;25;0;;2.093;;2.633;;2.884;;1.543;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;DMPC;CCM18;25;0;;1.37;;3.837;;1.777;;-0.379;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;DMPC;CCM18;25;0;;1.051;;4.006;;10.829;;5.974;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpropamide;MM01032;CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1;RKWGIWYCVPQPMF-UHFFFAOYSA-N;276.75;1.74;2727;DB00672;;CHEMBL498;DMPC;CCM18;25;0;;1.306;;5.073;;5.053;;2.4;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;DMPC;CCM18;25;0;;1.051;;2.89;;8.123;;3.109;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;DMPC;CCM18;25;0;;1.178;;6.135;;8.92;;4.491;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;DMPC;CCM18;25;0;;1.561;;11.147;;5.349;;2.469;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;DMPC;CCM18;25;0;;1.115;;2.92;;6.852;;3.198;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;DMPC;CCM18;25;0;;1.115;;3.28;;4.264;;2.273;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;DOPC;CCM18;25;0;;1.063;;4.153;;11.076;;6.117;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpropamide;MM01032;CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1;RKWGIWYCVPQPMF-UHFFFAOYSA-N;276.75;1.74;2727;DB00672;;CHEMBL498;DOPC;CCM18;25;0;;1.283;;4.946;;5.012;;2.364;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;DOPC;CCM18;25;0;;1.21;;6.43;;8.821;;4.437;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;DOPC;CCM18;25;0;;1.21;;2.964;;4.039;;2.108;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;"SC mix";CCM18;25;0;;2.487;;3.885;;0.508;;-0.302;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;"SC mix";CCM18;25;0;;;;;;99;;;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpropamide;MM01032;CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1;RKWGIWYCVPQPMF-UHFFFAOYSA-N;276.75;1.74;2727;DB00672;;CHEMBL498;"SC mix";CCM18;25;0;;2.318;;4.393;;3.364;;1.812;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;"SC mix";CCM18;25;0;;1.897;;2.307;;4.715;;2.885;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;"SC mix";CCM18;25;0;;2.065;;7.764;;6.776;;4.09;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;"SC mix";CCM18;25;0;;2.403;;10.249;;3.075;;1.529;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;"SC mix";CCM18;25;0;;1.981;;2.784;;3.181;;1.793;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;CACO;ECACO;37;0;;;;;;;;;;-4.44;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;CACO;ECACO;37;-1;;;;;;;;;;-4.45;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;CACO;ECACO;37;0;;;;;;;;;;-4.48;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;ECACO;37;0;;;;;;;;;;-4.51;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Nevirapine;MM01034;Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1;NQDJXKOVJZTUJA-UHFFFAOYSA-N;266.3;2.65;4463;DB00238;NVP;CHEMBL57;CACO;ECACO;37;0;;;;;;;;;;-4.52;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;CACO;ECACO;37;1;;;;;;;;;;-4.57;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;ECACO;37;1;;;;;;;;;;-4.6;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;37;0;;;;;;;;;;-4.6;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
1-(1-phenylcyclohexyl)piperidine;MM01035;c1ccc(C2(N3CCCCC3)CCCCC2)cc1;JTJMJGYZQZDUJJ-UHFFFAOYSA-N;243.39;4.33;6468;DB03575;1PC;CHEMBL275528;CACO;ECACO;37;1;;;;;;;;;;-4.61;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;ECACO;37;1;;;;;;;;;;-4.61;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;37;1;;;;;;;;;;-4.63;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;CACO;ECACO;37;0;;;;;;;;;;-4.63;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;ECACO;37;-1;;;;;;;;;;-4.66;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;CACO;ECACO;37;1;;;;;;;;;;-4.66;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;1;;;;;;;;;;-4.66;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;CACO;ECACO;37;0;;;;;;;;;;-4.67;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;37;-1;;;;;;;;;;-4.68;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;CACO;ECACO;37;-1;;;;;;;;;;-4.69;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;CACO;ECACO;37;1;;;;;;;;;;-4.7;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Meloxicam;MM00668;Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1;ZRVUJXDFFKFLMG-UHFFFAOYSA-N;351.41;1.95;54677470;DB00814;MXM;CHEMBL599;CACO;ECACO;37;-1;;;;;;;;;;-4.71;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;CACO;ECACO;37;1;;;;;;;;;;-4.71;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;CACO;ECACO;37;0;;;;;;;;;;-4.77;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;ECACO;37;1;;;;;;;;;;-4.78;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Telmisartan;MM01037;CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1;RMMXLENWKUUMAY-UHFFFAOYSA-N;514.63;7.26;65999;DB00966;TLS;CHEMBL1017;CACO;ECACO;37;-1;;;;;;;;;;-4.82;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;ECACO;37;0;;;;;;;;;;-4.85;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;CACO;ECACO;37;1;;;;;;;;;;-4.89;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;ECACO;37;0;;;;;;;;;;-4.91;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;CACO;ECACO;37;1;;;;;;;;;;-4.93;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;CACO;ECACO;37;1;;;;;;;;;;-5.03;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;CACO;ECACO;37;1;;;;;;;;;;-5.03;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;CACO;ECACO;37;-1;;;;;;;;;;-5.04;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;CACO;ECACO;37;0;;;;;;;;;;-5.1;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;CACO;ECACO;37;0;;;;;;;;;;-5.16;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;CACO;ECACO;37;1;;;;;;;;;;-5.34;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Uracil;MM01039;O=c1cc[nH]c(=O)[nH]1;ISAKRJDGNUQOIC-UHFFFAOYSA-N;112.09;-0.94;1174;DB03419;URA;CHEMBL566;CACO;ECACO;37;1;;;;;;;;;;-5.37;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;ECACO;37;1;;;;;;;;;;-5.41;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;CACO;ECACO;37;0;;;;;;;;;;-5.77;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;37;1;;;;;;;;;;-5.86;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Methylscopolamine;MM01040;C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;LZCOQTDXKCNBEE-XJMZPCNVSA-N;318.39;1.06;71183;DB00462;;;CACO;ECACO;37;1;;;;;;;;;;-6.16;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;ECACO;37;1;;;;;;;;;;-6.29;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;37;1;;;;;;;;;;-6.28;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;CACO;ECACO;37;1;;;;;;;;;;-6.29;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;ECACO;37;1;;;;;;;;;;-6.33;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;CACO;ECACO;37;1;;;;;;;;;;-6.31;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;MM00543;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1;RMHMFHUVIITRHF-UHFFFAOYSA-N;351.41;1.56;4848;DB00670;;CHEMBL9967;CACO;ECACO;37;1;;;;;;;;;;-6.36;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;37;0;;;;;;;;;;-6.42;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;CACO;ECACO;37;0;;;;;;;;;;-6.42;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;37;-1;;;;;;;;;;-6.52;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;ECACO;37;0;;;;;;;;;;-6.6;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;CACO;ECACO;37;1;;;;;;;;;;-6.72;;;;;;;;;;;;"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998.";"Yazdanian M., Glynn S.L., Wright  J.L., Hawi A.: Correlating partitioning and Caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res., 15(9):1490-1494, 1998."
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;POPC;ELFA;30;0;;;;;;;;;;-2.6;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;POPC;ELFA;30;0;;;;;;;;;;-2.1;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;POPC;ELFA;30;0;;;;;;;;;;-0.42;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;POPC;ELFA;30;0;;;;;;;;;;0.01;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;POPC;ELFA;30;0;;;;;;;;;;0.19;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;POPC;ELFA;30;0;;;;;;;;;;0.59;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;POPC;ELFA;30;0;;;;;;;;;;0.65;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;POPC;MDUSA4A9;30;0;;;;;;;;;;0.49;0.09;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;POPC;MDUSA4A9;30;0;;;;;;;;;;0.9;0.14;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;POPC;MDUSA4A9;30;0;;;;;;;;;;1.03;0.03;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;POPC;MDUSA4A9;30;0;;;;;;;;;;0.89;0.04;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;POPC;MDUSA4A9;30;0;;;;;;;;;;1.24;0.04;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;POPC;MDUSA4A9;30;0;;;;;;;;;;1.35;0.01;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;POPC;MDUSA4A9;30;0;;;;;;;;;;1.26;0.01;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;POPC;MDDMM;30;0;;;;;;;;;;-2.65;;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;POPC;MDDMM;30;0;;;;;;;;;;-1.2;;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;POPC;MDDMM;30;0;;;;;;;;;;0.11;;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;POPC;MDDMM;30;0;;;;;;;;;;0.51;;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;POPC;MDDMM;30;0;;;;;;;;;;0.85;;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;POPC;MDDMM;30;0;;;;;;;;;;0.7;;;;;;;;;;;;"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017";"Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;BBB;EPAM;25;0;;;;;;;;;;-5.27;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;;;;;;;;;;-5.89;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
7-chloro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione;MM01041;CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21;CXOXHMZGEKVPMT-UHFFFAOYSA-N;300.75;3.37;2789;DB00349;;;BBB;EPAM;25;-1;;;;;;;;;;-4.77;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;1;;;;;;;;;;-5.28;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;1;;;;;;;;;;-4.92;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;;;;;;;;;;-4.92;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;1;;;;;;;;;;-4.89;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;MM01042;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;ADIMAYPTOBDMTL-UHFFFAOYSA-N;286.72;2.45;4616;DB00842;;;BBB;EPAM;25;0;;;;;;;;;;-5;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;;;;;;;;;;-4.77;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione;MM01043;CCCC(C)C1(CC)C(=O)NC(=S)NC1=O;IUJDSEJGGMCXSG-UHFFFAOYSA-N;242.34;1.35;3000715;DB00599;;;BBB;EPAM;25;0;;;;;;;;;;-4.74;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;BBB;EPAM;25;0;;;;;;;;;;-5.92;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;BBB;EPAM;25;1;;;;;;;;;;-4.96;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;1;;;;;;;;;;-6.1;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;;;;;;;;;;-5.72;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;1;;;;;;;;;;-6.7;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;+1-1;;;;;;;;;;-6.05;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Isoxicam;MM00660;Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1;YYUAYBYLJSNDCX-UHFFFAOYSA-N;335.34;1.48;54677972;DB08942;ICD;CHEMBL53292;BBB;EPAM;25;-1;;;;;;;;;;-6.52;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;+1-1;;;;;;;;;;-5.96;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;;;;;;;;;;-5.29;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;+1-1;;;;;;;;;;-7;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;+1-1;;;;;;;;;;-6.1;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;-1;;;;;;;;;;-5.6;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;MM01044;CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O;LZNWYQJJBLGYLT-UHFFFAOYSA-N;337.38;1.64;54677971;DB00469;;;BBB;EPAM;25;-1;;;;;;;;;;-7;;;;;;;;;;;;"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003";"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;LEC;EPAM;25;-1;;;;;;;;;;-5.92;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;LEC;EPAM;25;1;;;;;;;;;;-4.77;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;LEC;EPAM;25;-1;;;;;;;;;;-4.67;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;LEC;EPAM;25;1;;;;;;;;;;-4.71;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;LEC;EPAM;25;-1;;;;;;;;;;-5.55;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;LEC;EPAM;25;0;;;;;;;;;;-4.76;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;LEC;EPAM;25;0;;;;;;;;;;-4.95;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;LEC;EPAM;25;-1;;;;;;;;;;-5.3;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;LEC;EPAM;25;-1;;;;;;;;;;-4.96;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;LEC;EPAM;25;0;;;;;;;;;;-4.55;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-methylphenol;MM01283;Cc1ccccc1O;QWVGKYWNOKOFNN-UHFFFAOYSA-N;108.14;1.7;335;;;;LEC;EPAM;25;0;;;;;;;;;;-4.28;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Benzene-1,4-diol;MM00951;Oc1ccc(O)cc1;QIGBRXMKCJKVMJ-UHFFFAOYSA-N;110.11;1.1;785;DB09526;HQE;CHEMBL537;LEC;EPAM;25;0;;;;;;;;;;-5.14;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
1H-indole;MM01048;c1ccc2[nH]ccc2c1;SIKJAQJRHWYJAI-UHFFFAOYSA-N;117.15;2.17;798;;;;LEC;EPAM;25;0;;;;;;;;;;-4.5;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"Indole-3-acetic Acid";MM01049;O=C(O)Cc1c[nH]c2ccccc12;SEOVTRFCIGRIMH-UHFFFAOYSA-N;175.19;1.8;802;;;;LEC;EPAM;25;-1;;;;;;;;;;-6.4;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Phenol;MM00206;Oc1ccccc1;ISWSIDIOOBJBQZ-UHFFFAOYSA-N;94.11;1.39;996;DB03255;IPH;CHEMBL14060;LEC;EPAM;25;0;;;;;;;;;;-4.33;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;LEC;EPAM;25;1;;;;;;;;;;-5.27;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;LEC;EPAM;25;0;;;;;;;;;;-4.41;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;LEC;EPAM;25;1;;;;;;;;;;-6.44;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;LEC;EPAM;25;0;;;;;;;;;;-6.04;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;LEC;EPAM;25;0;;;;;;;;;;-5.31;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;LEC;EPAM;25;0;;;;;;;;;;-5.54;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;MM01050;CCNc1nc(Cl)nc(NC(C)C)n1;MXWJVTOOROXGIU-UHFFFAOYSA-N;215.69;1.78;2256;;;;LEC;EPAM;25;0;;;;;;;;;;-4.53;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;LEC;EPAM;25;0;;;;;;;;;;-5.41;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;LEC;EPAM;25;1;;;;;;;;;;-4.98;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane;MM00931;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;FHIVAFMUCKRCQO-UHFFFAOYSA-N;304.35;3.58;3017;;;;LEC;EPAM;25;0;;;;;;;;;;-5.28;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;LEC;EPAM;25;1;;;;;;;;;;-6.47;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;LEC;EPAM;25;0;;;;;;;;;;-6.59;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"3-Indolepropionic Acid";MM01051;O=C(O)CCc1c[nH]c2ccccc12;GOLXRNDWAUTYKT-UHFFFAOYSA-N;189.21;2.19;3744;;;;LEC;EPAM;25;-1;;;;;;;;;;-5.68;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;LEC;EPAM;25;1;;;;;;;;;;-5.18;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"N-Phenylanthranilic Acid";MM01052;O=C(O)c1ccccc1Nc1ccccc1;ZWJINEZUASEZBH-UHFFFAOYSA-N;213.24;3.13;4386;;;;LEC;EPAM;25;-1;;;;;;;;;;-4.86;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;LEC;EPAM;25;+1-1;;;;;;;;;;-6.71;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;LEC;EPAM;25;1;;;;;;;;;;-4.83;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;MM00543;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1;RMHMFHUVIITRHF-UHFFFAOYSA-N;351.41;1.56;4848;DB00670;;CHEMBL9967;LEC;EPAM;25;1;;;;;;;;;;-6.05;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;LEC;EPAM;25;1;;;;;;;;;;-5.98;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;LEC;EPAM;25;1;;;;;;;;;;-6.05;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;LEC;EPAM;25;1;;;;;;;;;;-5.5;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;LEC;EPAM;25;0;;;;;;;;;;-5.37;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;LEC;EPAM;25;0;;;;;;;;;;-4.77;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;LEC;EPAM;25;0;;;;;;;;;;-5.45;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;LEC;EPAM;25;0;;;;;;;;;;-5.47;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;LEC;EPAM;25;0;;;;;;;;;;-5.41;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;LEC;EPAM;25;0;;;;;;;;;;-4.12;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"Diethyl Phthalate";MM00195;CCOC(=O)c1ccccc1C(=O)OCC;FLKPEMZONWLCSK-UHFFFAOYSA-N;222.24;2.04;6781;;;;LEC;EPAM;25;0;;;;;;;;;;-4.82;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-Nitroaniline;MM01055;Nc1ccccc1[N+](=O)[O-];DPJCXCZTLWNFOH-UHFFFAOYSA-N;138.13;1.18;6946;;;;LEC;EPAM;25;0;;;;;;;;;;-4.54;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-Nitrophenol;MM01056;O=[N+]([O-])c1ccccc1O;IQUPABOKLQSFBK-UHFFFAOYSA-N;139.11;1.3;6947;;;;LEC;EPAM;25;0;;;;;;;;;;-4.24;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2,5-Dichloronitrobenzene;MM01057;O=[N+]([O-])c1cc(Cl)ccc1Cl;RZKKOBGFCAHLCZ-UHFFFAOYSA-N;192;2.9;6977;;;;LEC;EPAM;25;0;;;;;;;;;;-5.11;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
1,1'-biphenyl;MM01058;c1ccc(-c2ccccc2)cc1;ZUOUZKKEUPVFJK-UHFFFAOYSA-N;154.21;3.35;7095;;;;LEC;EPAM;25;0;;;;;;;;;;-5.95;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-Chloroaniline;MM01059;Nc1ccccc1Cl;AKCRQHGQIJBRMN-UHFFFAOYSA-N;127.57;1.92;7240;;;;LEC;EPAM;25;0;;;;;;;;;;-4.48;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-Chlorophenol;MM00219;Oc1ccccc1Cl;ISPYQTSUDJAMAB-UHFFFAOYSA-N;128.56;2.05;7245;DB03110;2CH;CHEMBL108877;LEC;EPAM;25;0;;;;;;;;;;-4.3;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
3-Nitroaniline;MM00137;Nc1cccc([N+](=O)[O-])c1;XJCVRTZCHMZPBD-UHFFFAOYSA-N;138.13;1.18;7423;;;;LEC;EPAM;25;0;;;;;;;;;;-4.67;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
4-Nitroaniline;MM01060;Nc1ccc([N+](=O)[O-])cc1;TYMLOMAKGOJONV-UHFFFAOYSA-N;138.13;1.18;7475;;;;LEC;EPAM;25;0;;;;;;;;;;-4.68;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
5-Ethyl-2-methylpyridine;MM01061;CCc1ccc(C)nc1;NTSLROIKFLNUIJ-UHFFFAOYSA-N;121.18;1.95;7728;;;;LEC;EPAM;25;0;;;;;;;;;;-5.55;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2,4-Dimethylphenol;MM01062;Cc1ccc(O)c(C)c1;KUFFULVDNCHOFZ-UHFFFAOYSA-N;122.17;2.01;7771;;;;LEC;EPAM;25;0;;;;;;;;;;-4.61;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
4-Chloroaniline;MM00811;Nc1ccc(Cl)cc1;QSNSCYSYFYORTR-UHFFFAOYSA-N;127.57;1.92;7812;;;;LEC;EPAM;25;0;;;;;;;;;;-4.38;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
3-Chloroaniline;MM01063;Nc1cccc(Cl)c1;PNPCRKVUWYDDST-UHFFFAOYSA-N;127.57;1.92;7932;;;;LEC;EPAM;25;0;;;;;;;;;;-4.44;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2,4-Dichlorophenol;MM00800;Oc1ccc(Cl)cc1Cl;HFZWRUODUSTPEG-UHFFFAOYSA-N;163;2.7;8449;;;;LEC;EPAM;25;0;;;;;;;;;;-4.93;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"Dimethyl Phthalate";MM00938;COC(=O)c1ccccc1C(=O)OC;NIQCNGHVCWTJSM-UHFFFAOYSA-N;194.19;1.26;8554;;;;LEC;EPAM;25;0;;;;;;;;;;-4.36;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-(1H-indol-3-yl)ethanol;MM01064;OCCc1c[nH]c2ccccc12;MBBOMCVGYCRMEA-UHFFFAOYSA-N;161.2;1.7;10685;;;;LEC;EPAM;25;0;;;;;;;;;;-4.72;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
3-Nitrophenol;MM00225;O=[N+]([O-])c1cccc(O)c1;RTZZCYNQPHTPPL-UHFFFAOYSA-N;139.11;1.3;11137;;;;LEC;EPAM;25;0;;;;;;;;;;-4.77;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
N-phenylaniline;MM01065;c1ccc(Nc2ccccc2)cc1;DMBHHRLKUKUOEG-UHFFFAOYSA-N;169.23;3.43;11487;;;;LEC;EPAM;25;0;;;;;;;;;;-5.51;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
4-cyanophenol;MM00231;N#Cc1ccc(O)cc1;CVNOWLNNPYYEOH-UHFFFAOYSA-N;119.12;1.26;13019;;;;LEC;EPAM;25;0;;;;;;;;;;-4.77;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one;MM01067;COc1nn(CSP(=S)(OC)OC)c(=O)s1;MEBQXILRKZHVCX-UHFFFAOYSA-N;302.34;1.52;13709;;;;LEC;EPAM;25;0;;;;;;;;;;-4.97;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"(2-butan-2-ylphenyl) N-methylcarbamate";MM01068;CCC(C)c1ccccc1OC(=O)NC;DIRFUJHNVNOBMY-UHFFFAOYSA-N;207.27;2.92;19588;;;;LEC;EPAM;25;0;;;;;;;;;;-4.91;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
2-methoxy-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine;MM01069;COP1(=S)OCc2ccccc2O1;OUNSASXJZHBGAI-UHFFFAOYSA-N;216.2;2.47;19657;;;;LEC;EPAM;25;0;;;;;;;;;;-5.03;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Pyrene;MM00163;c1cc2ccc3cccc4ccc(c1)c2c34;BBEAQIROQSPTKN-UHFFFAOYSA-N;202.26;4.58;31423;;;;LEC;EPAM;25;0;;;;;;;;;;-5.65;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Di(propan-2-yloxy)phosphorylsulfanylmethylbenzene;MM01070;CC(C)OP(=O)(OC(C)C)SCc1ccccc1;FCOAHACKGGIURQ-UHFFFAOYSA-N;288.35;4.88;33294;;;;LEC;EPAM;25;0;;;;;;;;;;-4.93;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate";MM01071;CCN(CC)C(=O)SCc1ccc(Cl)cc1;QHTQREMOGMZHJV-UHFFFAOYSA-N;257.79;4.04;34192;;;;LEC;EPAM;25;0;;;;;;;;;;-4.69;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
"Indole-3-carboxylic Acid";MM01072;O=C(O)c1c[nH]c2ccccc12;KMAKOBLIOCQGJP-UHFFFAOYSA-N;161.16;1.87;69867;;;;LEC;EPAM;25;-1;;;;;;;;;;-6.1;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
1,2-Dibenzoyl-1-tert-butylhydrazine;MM01073;CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1;NISLLQUWIJASOV-UHFFFAOYSA-N;296.37;3.27;86307;;;;LEC;EPAM;25;0;;;;;;;;;;-4.78;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide;MM01074;O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1;YWTYJOPNNQFBPC-UHFFFAOYSA-N;255.67;0.69;86418;;;;LEC;EPAM;25;0;;;;;;;;;;-5.34;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Tebufenozide;MM01075;CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1;QYPNKSZPJQQLRK-UHFFFAOYSA-N;352.48;4.45;91773;;;;LEC;EPAM;25;0;;;;;;;;;;-4.8;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
(2S)-2-acetamido-3-(1H-indol-3-yl)propanamide;MM01076;CC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;HNGIZKAMDMBRKJ-UHFFFAOYSA-N;245.28;0.7;94230;;;;LEC;EPAM;25;-1;;;;;;;;;;-5.72;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Methoxyfenozide;MM01077;COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C;QCAWEPFNJXQPAN-UHFFFAOYSA-N;368.48;4.21;105010;;;;LEC;EPAM;25;0;;;;;;;;;;-4.72;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;MM01078;CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1;CNKHSLKYRMDDNQ-UHFFFAOYSA-N;330.82;3.93;114994;;;;LEC;EPAM;25;0;;;;;;;;;;-4.76;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
L-Tryptophanamide;MM01079;NC(=O)C(N)Cc1c[nH]c2ccccc12;JLSKPBDKNIXMBS-UHFFFAOYSA-N;203.25;0.52;439356;;;;LEC;EPAM;25;0;;;;;;;;;;-5.56;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Indole-3-carboxamide;MM01080;NC(=O)c1c[nH]c2ccccc12;LSGKMZLPZFPAIN-UHFFFAOYSA-N;160.18;1.27;2192542;;;;LEC;EPAM;25;0;;;;;;;;;;-5.21;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Gly-Trp-NH2;MM01081;NCC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;YZMFLZVJQTUTKK-UHFFFAOYSA-N;260.3;-0.36;3081965;;;;LEC;EPAM;25;0;;;;;;;;;;-6.38;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Cyclo(-Gly-Trp);MM01082;O=C1CNC(=O)C(Cc2c[nH]c3ccccc23)N1;IFQZEERDQXQTLJ-UHFFFAOYSA-N;243.27;0.33;6997508;;;;LEC;EPAM;25;0;;;;;;;;;;-6.02;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Phe-Trp-NH2;MM01083;NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1;GVIJYQOEFGLWKI-UHFFFAOYSA-N;350.42;1.25;7020143;;;;LEC;EPAM;25;1;;;;;;;;;;-5.22;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Cyclo(-Trp-Trp);MM01084;O=C1NC(Cc2c[nH]c3ccccc23)C(=O)NC1Cc1c[nH]c2ccccc12;DNHODRZUCGXYKU-UHFFFAOYSA-N;372.43;2.42;7091706;;;;LEC;EPAM;25;0;;;;;;;;;;-5.04;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide;MM01085;Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1;HPNSNYBUADCFDR-UHFFFAOYSA-N;394.52;4.52;10157484;;;;LEC;EPAM;25;0;;;;;;;;;;-4.78;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Ac-Tyr-Phe-NH2;MM01086;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O;QJOFRQKWYZAXIZ-UHFFFAOYSA-N;369.42;0.65;11068626;;;;LEC;EPAM;25;0;;;;;;;;;;-6.92;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Cyclo(-Trp-Tyr);MM01087;O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1;ZJDMXAAEAVGGSK-ROUUACIJSA-N;349.39;1.64;;;;;LEC;EPAM;25;0;;;;;;;;;;-6.17;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Ac-Tyr-Leu-NH2;MM01088;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(N)=O;WGDDMZFVKNOORS-UHFFFAOYSA-N;335.4;0.46;14562813;;;;LEC;EPAM;25;0;;;;;;;;;;-6.54;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Boc-Trp;MM01089;CC(C)(C)OC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)O;WXYGVKADAIJGHB-UHFFFAOYSA-N;304.35;2.69;44424848;;;;LEC;EPAM;25;-1;;;;;;;;;;-5.77;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Cbz-Trp;MM01090;O=C(NC(Cc1cc2ccccc2[nH]1)C(=O)O)OCc1ccccc1;DZJWNXSZBKGYKP-UHFFFAOYSA-N;338.36;3.09;44424857;;;;LEC;EPAM;25;-1;;;;;;;;;;-5.55;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Fmoc-Trp;MM01091;O=C(NC(Cc1cc2ccccc2[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21;KUROROGTRLAIQQ-UHFFFAOYSA-N;426.47;4.7;44424858;;;;LEC;EPAM;25;-1;;;;;;;;;;-4.89;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Trp-Ala-Val-NH2;MM01092;CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C(N)=O)C(C)C;FSIVAWBKYORDEB-UHFFFAOYSA-N;373.46;0.17;44424859;;;;LEC;EPAM;25;1;;;;;;;;;;-6.62;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Ac-Trp-Val-NH2;MM01093;CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C;ZFFQYIRICYOHAN-UHFFFAOYSA-N;344.42;0.84;44424860;;;;LEC;EPAM;25;0;;;;;;;;;;-6.18;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;EPAM;25;0;;;;;;;;;;-6.1;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Amdinocillin;MM01269;CC1(C)SC2C(N=CN3CCCCCC3)C(=O)N2C1C(=O)O;BWWVAEOLVKTZFQ-UHFFFAOYSA-N;325.43;1.41;36273;DB01163;;;CACO;EPAM;25;+1-1;;;;;;;;;;-6.05;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;CACO;EPAM;25;-1;;;;;;;;;;-4.77;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Ceftazidime;MM01270;CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O;ORFOPKXBNMVMKC-UHFFFAOYSA-N;546.59;-1.3;5481173;DB00438;;;CACO;EPAM;25;+1-1;;;;;;;;;;-6.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;CACO;EPAM;25;-1;;;;;;;;;;-4.82;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;CACO;EPAM;25;+1-1;;;;;;;;;;-4.38;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-5.55;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;CACO;EPAM;25;1;;;;;;;;;;-6.52;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Demeclocycline;MM01271;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12;GUXHBMASAHGULD-UHFFFAOYSA-N;464.86;0.11;54680690;DB00618;;;CACO;EPAM;25;"+1-1, -1";;;;;;;;;;-5.42;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Doxycycline;MM01272;CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21;SGKRLCUYIXIAHR-UHFFFAOYSA-N;444.44;-0.5;54671203;DB00254;;CHEMBL3559889;CACO;EPAM;25;+1-1;;;;;;;;;;-4.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-5.11;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;CACO;EPAM;25;"1, 0";;;;;;;;;;-6.22;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;CACO;EPAM;25;+1-1;;;;;;;;;;-5.55;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;CACO;EPAM;25;0;;;;;;;;;;-6.15;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-4.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Chlortetracycline;MM00725;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12;DHPRQBPJLMKORJ-XRNKAMNCSA-N;478.89;0.28;54675777;DB09093;CTC;CHEMBL404520;CACO;EPAM;25;"+1-1, -1";;;;;;;;;;-5.43;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Levocarnitine;MM01273;C[N+](C)(C)CC(O)CC(=O)[O-];PHIQHXFUZVPYII-UHFFFAOYSA-N;161.2;-1.81;10917;DB00583;;;CACO;EPAM;25;+1-1;;;;;;;;;;-5.89;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;CACO;EPAM;25;"+1-1, -1";;;;;;;;;;-6.22;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;CACO;EPAM;25;+1-1;;;;;;;;;;-4.82;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Meloxicam;MM00668;Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1;ZRVUJXDFFKFLMG-UHFFFAOYSA-N;351.41;1.95;54677470;DB00814;MXM;CHEMBL599;CACO;EPAM;25;-1;;;;;;;;;;-4.89;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
"(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid";MM00766;NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O;SGDBTWWWUNNDEQ-UHFFFAOYSA-N;305.21;1.93;460612;DB01042;;CHEMBL852;CACO;EPAM;25;+1-1;;;;;;;;;;-4.08;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
"5-amino-2-hydroxybenzoic acid";MM01274;Nc1ccc(O)c(C(=O)O)c1;KBOPZPXVLCULAV-UHFFFAOYSA-N;153.14;0.67;4075;DB00244;;CHEMBL704;CACO;EPAM;25;"-1, 0";;;;;;;;;;-6.05;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Minocycline;MM01275;CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O;FFTVPQUHLQBXQZ-UHFFFAOYSA-N;457.48;0.03;54675783;DB01017;;CHEMBL1434;CACO;EPAM;25;+1-1;;;;;;;;;;-4.3;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-6;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-5.33;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-4.64;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;CACO;EPAM;25;-1;;;;;;;;;;-4.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Sparfloxacin;MM00772;CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1;DZZWHBIBMUVIIW-UHFFFAOYSA-N;392.41;2.08;60464;DB01208;;CHEMBL850;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-4.38;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;MM01276;Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1;SEEPANYCNGTZFQ-UHFFFAOYSA-N;250.28;0.86;5215;DB00359;;;CACO;EPAM;25;"-1, 0";;;;;;;;;;-5.92;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;EPAM;25;1;;;;;;;;;;-5.85;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Tetracycline;MM01277;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12;OFVLGDICTFRJMM-UHFFFAOYSA-N;444.44;-0.21;54675776;DB00759;;CHEMBL1440;CACO;EPAM;25;+1-1;;;;;;;;;;-5.42;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea;MM00709;Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1;NGBFQHCMQULJNZ-UHFFFAOYSA-N;348.43;2.53;41781;DB00214;;CHEMBL1148;CACO;EPAM;25;"0, -1";;;;;;;;;;-4.66;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
Trovafloxacin;MM00774;NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12;WVPSKSLAZQPAKQ-SOSAQKQKSA-N;416.36;1.89;62959;DB00685;TR6;CHEMBL428;CACO;EPAM;25;"+1-1, 1";;;;;;;;;;-4.24;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;PSKIN;EPAM;25;0;;;;;;;;;;-4.58;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;PSKIN;EPAM;25;0;;;;;;;;;;-4.2;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;PSKIN;EPAM;25;0;;;;;;;;;;-4.26;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;PSKIN;EPAM;25;0;;;;;;;;;;-4.25;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;MM01276;Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1;SEEPANYCNGTZFQ-UHFFFAOYSA-N;250.28;0.86;5215;DB00359;;;PSKIN;EPAM;25;0;;;;;;;;;;-6.2;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;MM00902;CCC1(c2ccccc2)C(=O)NC(=O)NC1=O;DDBREPKUVSBGFI-UHFFFAOYSA-N;232.24;0.7;4763;DB01174;;CHEMBL40;PSKIN;EPAM;25;0;;;;;;;;;;-5.15;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;PSKIN;EPAM;25;0;;;;;;;;;;-4.35;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Isoquinoline;MM00882;c1ccc2cnccc2c1;AWJUIBRHMBBTKR-UHFFFAOYSA-N;129.16;2.23;8405;DB04329;ISQ;CHEMBL12315;PSKIN;EPAM;25;0;;;;;;;;;;-4.05;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;PSKIN;EPAM;25;0;;;;;;;;;;-4.35;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;PSKIN;EPAM;25;0;;;;;;;;;;-4.56;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2-Naphthol;MM00793;Oc1ccc2ccccc2c1;JWAZRIHNYRIHIV-UHFFFAOYSA-N;144.17;2.55;8663;;;CHEMBL14126;PSKIN;EPAM;25;0;;;;;;;;;;-4.19;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Pyridine;MM01279;c1ccncc1;JUJWROOIHBZHMG-UHFFFAOYSA-N;79.1;1.08;1049;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.35;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;PSKIN;EPAM;25;0;;;;;;;;;;-4.21;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-Nitrophenol;MM00819;O=[N+]([O-])c1ccc(O)cc1;BTJIUGUIPKRLHP-UHFFFAOYSA-N;139.11;1.3;980;DB04417;NPO;CHEMBL14130;PSKIN;EPAM;25;0;;;;;;;;;;-4.32;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Phenol;MM00206;Oc1ccccc1;ISWSIDIOOBJBQZ-UHFFFAOYSA-N;94.11;1.39;996;DB03255;IPH;CHEMBL14060;PSKIN;EPAM;25;0;;;;;;;;;;-4.14;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;PSKIN;EPAM;25;0;;;;;;;;;;-4.21;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;PSKIN;EPAM;25;0;;;;;;;;;;-5.63;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;MM00539;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1;RGCVKNLCSQQDEP-UHFFFAOYSA-N;403.98;3.94;4748;DB00850;;CHEMBL567;PSKIN;EPAM;25;0;;;;;;;;;;-4.56;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;MM01042;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;ADIMAYPTOBDMTL-UHFFFAOYSA-N;286.72;2.45;4616;DB00842;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.64;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;MM01050;CCNc1nc(Cl)nc(NC(C)C)n1;MXWJVTOOROXGIU-UHFFFAOYSA-N;215.69;1.78;2256;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.21;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-(4-aminophenyl)aniline;MM01281;Nc1ccc(-c2ccc(N)cc2)cc1;HFACYLZERDEVSX-UHFFFAOYSA-N;184.24;2.52;7111;;;CHEMBL15901;PSKIN;EPAM;25;0;;;;;;;;;;-4.46;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;PSKIN;EPAM;25;0;;;;;;;;;;-4.25;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;PSKIN;EPAM;25;0;;;;;;;;;;-6.2;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Betamethasone;MM00920;CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO;UREBDLICKHMUKA-UHFFFAOYSA-N;392.47;1.9;9782;DB00443;;CHEMBL632;PSKIN;EPAM;25;0;;;;;;;;;;-5.84;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Prednisone;MM00408;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;XOFYZVNMUHMLCC-ZPOLXVRWSA-N;358.43;1.77;5865;DB00635;PDN;CHEMBL635;PSKIN;EPAM;25;0;;;;;;;;;;-6.04;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2-Naphthylamine;MM00025;Nc1ccc2ccccc2c1;JBIJLHTVPXGSAM-UHFFFAOYSA-N;143.19;2.42;7057;;;CHEMBL278164;PSKIN;EPAM;25;0;;;;;;;;;;-4.23;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;PSKIN;EPAM;25;0;;;;;;;;;;-4.33;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Resorcinol;MM00903;Oc1cccc(O)c1;GHMLBKRAJCXXBS-UHFFFAOYSA-N;110.11;1.1;5054;DB11085;RCO;CHEMBL24147;PSKIN;EPAM;25;0;;;;;;;;;;-5.62;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
5-methyl-2-propan-2-ylphenol;MM00910;Cc1ccc(C(C)C)c(O)c1;MGSRCZKZVOBKFT-UHFFFAOYSA-N;150.22;2.82;6989;DB02513;IPB;CHEMBL29411;PSKIN;EPAM;25;0;;;;;;;;;;-4.34;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;PSKIN;EPAM;25;0;;;;;;;;;;-4.29;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;PSKIN;EPAM;25;0;;;;;;;;;;-4.11;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Acridine;MM01282;c1ccc2nc3ccccc3cc2c1;DZBUGLKDJFMEHC-UHFFFAOYSA-N;179.22;3.39;9215;;;CHEMBL39677;PSKIN;EPAM;25;0;;;;;;;;;;-4.37;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2-methylphenol;MM01283;Cc1ccccc1O;QWVGKYWNOKOFNN-UHFFFAOYSA-N;108.14;1.7;335;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.18;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
O-Chloronitrobenzene;MM01284;O=[N+]([O-])c1ccccc1Cl;BFCFYVKQTRLZHA-UHFFFAOYSA-N;157.56;2.25;6945;;;;PSKIN;EPAM;25;0;;;;;;;;;;4.05;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-chlorophenol;MM00157;Oc1ccc(Cl)cc1;WXNZTHHGJRFXKQ-UHFFFAOYSA-N;128.56;2.05;4684;DB13154;4CH;CHEMBL57053;PSKIN;EPAM;25;0;;;;;;;;;;-4.1;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-bromophenol;MM00158;Oc1ccc(Br)cc1;GZFGOTFRPZRKDS-UHFFFAOYSA-N;173.01;2.15;7808;;;CHEMBL57284;PSKIN;EPAM;25;0;;;;;;;;;;-3.9;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;MM01286;COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1;ZZORFUFYDOWNEF-UHFFFAOYSA-N;310.34;0.88;5323;DB06150;;;PSKIN;EPAM;25;0;;;;;;;;;;-5.25;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;MM00126;CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1;NFDFQCUYFHCNBW-SCGPFSFSSA-N;266.34;4.6;667476;DB00890;;CHEMBL1018;PSKIN;EPAM;25;0;;;;;;;;;;-4.53;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2,4,6-trichlorophenol;MM00224;Oc1c(Cl)cc(Cl)cc1Cl;LINPIYWFGCPVIE-UHFFFAOYSA-N;197.45;3.35;6914;;;CHEMBL309917;PSKIN;EPAM;25;0;;;;;;;;;;-4.33;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;PSKIN;EPAM;25;0;;;;;;;;;;-4.54;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2-Amino-4-Nitrophenol;MM00790;Nc1cc([N+](=O)[O-])ccc1O;VLZVIIYRNMWPSN-UHFFFAOYSA-N;154.13;0.88;3613389;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.84;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
4-Ethylphenol;MM00153;CCc1ccc(O)cc1;HXDOZKJGKXYMEW-UHFFFAOYSA-N;122.17;1.95;31242;;;CHEMBL108475;PSKIN;EPAM;25;0;;;;;;;;;;-4.05;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;PSKIN;EPAM;25;0;;;;;;;;;;-5.06;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
N-(4-aminophenyl)sulfonylbenzamide;MM01287;Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1;PBCZLFBEBARBBI-UHFFFAOYSA-N;276.32;1.39;5319;DB09355;;;PSKIN;EPAM;25;0;;;;;;;;;;-5.65;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
2-Nitro-P-phenylenediamine;MM00797;Nc1cccc([N+](=O)[O-])c1N;IOCXBXZBNOYTLQ-UHFFFAOYSA-N;153.14;0.76;4359525;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.94;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
3,4-Xylenol;MM00806;Cc1ccc(O)cc1C;YCOXTKKNXUZSKD-UHFFFAOYSA-N;122.17;2.01;7249;DB04052;2MP;CHEMBL192008;PSKIN;EPAM;25;0;;;;;;;;;;-4.16;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"Benzyl Nicotinate";MM00842;O=C(OCc1ccccc1)c1cccnc1;KVYGGMBOZFWZBQ-UHFFFAOYSA-N;213.24;2.44;7191;;;CHEMBL209744;PSKIN;EPAM;25;0;;;;;;;;;;-4.26;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"Methyl Nicotinate";MM00886;COC(=O)c1cccnc1;YNBADRVTZLEFNH-UHFFFAOYSA-N;137.14;0.87;7151;DB13882;;CHEMBL379845;PSKIN;EPAM;25;0;;;;;;;;;;-4.32;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;PSKIN;EPAM;25;0;;;;;;;;;;-4.81;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;PSKIN;EPAM;25;0;;;;;;;;;;-6.24;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;PSKIN;EPAM;25;0;;;;;;;;;;-4.24;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"Phenylbutyric Acid";MM01289;O=C(O)CCCc1ccccc1;OBKXEAXTFZPCHS-UHFFFAOYSA-N;164.2;2.09;4775;DB06819;;CHEMBL1469;PSKIN;EPAM;25;0;;;;;;;;;;3.87;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"3-Tert-butyl-2-hydroxy-6-methylbenzoic Acid";MM01290;Cc1ccc(C(C)(C)C)c(O)c1C(=O)O;JXQCUCDXLSGQNZ-UHFFFAOYSA-N;208.26;2.7;23361;;;CHEMBL250236;PSKIN;EPAM;25;0;;;;;;;;;;-4.16;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"5-Phenylvaleric Acid";MM00097;O=C(O)CCCCc1ccccc1;BYHDDXPKOZIZRV-UHFFFAOYSA-N;178.23;2.48;16757;DB04051;5PV;CHEMBL443064;PSKIN;EPAM;25;0;;;;;;;;;;-4.1;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"4-(Butylamino)benzoic Acid";MM01291;CCCCNc1ccc(C(=O)O)cc1;YCCRFDDXAVMSLM-UHFFFAOYSA-N;193.25;2.6;95946;;;CHEMBL253121;PSKIN;EPAM;25;0;;;;;;;;;;-4.3;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"4-(Ethylamino)benzoic Acid";MM01292;CCNc1ccc(C(=O)O)cc1;SWXFMMWYVSYQGF-UHFFFAOYSA-N;165.19;1.82;2775249;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.25;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
"7-Phenylheptanoic Acid";MM01293;O=C(O)CCCCCCc1ccccc1;ZVSXKFNTWOIGJI-UHFFFAOYSA-N;206.29;3.26;520987;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.25;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
3-Oxopregn-4-ene-21,17alpha-carbolactone;MM01294;CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC21CCC(=O)O1;UWBICEKKOYXZRG-UHFFFAOYSA-N;342.48;4.59;101931;;;;PSKIN;EPAM;25;0;;;;;;;;;;-4.33;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;PSKIN;EPAM;25;0;;;;;;;;;;-4.11;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;PSKIN;EPAM;25;0;;;;;;;;;;-5.75;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;PSKIN;EPAM;25;0;;;;;;;;;;-5.94;;;;;;;;;;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007";"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
3,8-Bisacryloylethidium;MM01355;C=CC(=O)Nc1ccc2c(c1)c(-c1ccccc1)[n+](CC)c1cc(NC(=O)C=C)ccc21;NONPFTQOTHIICT-UHFFFAOYSA-O;422.51;5.22;;;;;EggPC;EPAM;25;1;;;;;;;;;;-8;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
Berberine;MM01356;COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2;YBHILYKTIRIUTE-UHFFFAOYSA-N;336.37;3.1;2353;;;;EggPC;EPAM;25;1;;;;;;;;;;-7.7;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;MM01357;COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC;LLEJIEBFSOEYIV-UHFFFAOYSA-N;348.38;3.72;2703;;;;EggPC;EPAM;25;1;;;;;;;;;;-5.49;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
Sanguinarine;MM01358;C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3;INVGWHRKADIJHF-UHFFFAOYSA-N;332.34;3.43;;;;;EggPC;EPAM;25;1;;;;;;;;;;-5.37;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Rhodamine B";MM01359;CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1;CVAVMIODJQHEEH-UHFFFAOYSA-O;443.57;5.56;;;;;EggPC;EPAM;25;1;;;;;;;;;;-5.68;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Rhodamine 123";MM01360;COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12;FCGVBHISQBBIQF-UHFFFAOYSA-N;344.37;4.05;;;;;EggPC;EPAM;25;1;;;;;;;;;;-6.65;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Rhodamine 110";MM01361;Nc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[NH2+])cc-3oc2c1;UPZKDDJKJWYWHQ-UHFFFAOYSA-O;331.35;2.14;;;;;EggPC;EPAM;25;1;;;;;;;;;;-5.49;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Rhodamine 19";MM01362;CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)O)c2cc1C;ZTKQHJHANLVEBM-UHFFFAOYSA-O;415.51;3.95;;;;;EggPC;EPAM;25;1;;;;;;;;;;-5.62;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Rhodamine 116";MM01363;CNc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[NH+]C)cc-3oc2c1;QCRIAIGCQBOVLG-UHFFFAOYSA-O;359.41;2.56;;;;;EggPC;EPAM;25;1;;;;;;;;;;-5.47;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
R18;MM01348;CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12;IVCWQJBZEMJOOW-UHFFFAOYSA-N;696.05;12.28;;;;;EggPC;EPAM;25;1;;;;;;;;;;-7.12;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"2′,4′,5′,7′ -Tetrabromo Rhodamine 123";MM01365;COC(=O)c1ccccc1-c1c2cc(Br)c(=[NH2+])c(Br)c-2oc2c(Br)c(N)c(Br)cc12;ZVGBXUPMRHEGSV-UHFFFAOYSA-O;660.96;5.28;;;;;EggPC;EPAM;25;1;;;;;;;;;;-6.63;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Tetramethyl Rhodamine Methylester";MM01366;COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12;WAWRKBQQBUDAMY-UHFFFAOYSA-N;401.49;4.09;;;;;EggPC;EPAM;25;1;;;;;;;;;;-6.3;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
Tetramethylrosamine;MM01367;CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3oc2c1;NGSXFKKYKWBNPO-UHFFFAOYSA-N;343.45;4.3;;;;;EggPC;EPAM;25;1;;;;;;;;;;-8;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"Rhodamine 101";MM01368;O=C(O)c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3;MUSLHCJRTRQOSP-UHFFFAOYSA-O;491.61;3.82;;;;;EggPC;EPAM;25;1;;;;;;;;;;-6.33;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
"5-Carboxy-x-rhodamine Triethylamine";MM01369;CC[N+](CC)CC.O=C([O-])c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1;ANZYTYNUVNEQIZ-UHFFFAOYSA-N;635.81;3.37;;;;;EggPC;EPAM;25;1;;;;;;;;;;-7.54;;;;;;;;;;;;"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007.";"Fischer H., Kansy M., Avdeef A., Senner F.: Permeation of permanently positive charged molecules through artificial membranes - Influence of physico-chemical properties, Eur. J. Pharm. Sci., 31, 32-42, 2007."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;PL-A;EPAM;25;1;"pH = 7.4";;;;;;;;;-4.92082;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;PL-A;EPAM;25;1;"pH = 7.4";;;;;;;;;-4.76955;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;PL-A;EPAM;25;0;"pH = 7.4";;;;;;;;;-8.15;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;PL-A;EPAM;25;1;"pH = 7.4";;;;;;;;;-7.46852;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;PL-A;EPAM;25;1;"pH = 7.4";;;;;;;;;-5.92;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;PL-A;EPAM;25;1;"pH = 7.4";;;;;;;;;-6.25;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;PL-A;EPAM;25;-1;"pH = 7.4";;;;;;;;;-7.37;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;PL-A;EPAM;25;-1;"pH = 7.4";;;;;;;;;-6.64;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;PL-A;EPAM;25;-1;"pH = 7.4";;;;;;;;;-7.89;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;PL-A;EPAM;25;+1-1;"pH = 7.4";;;;;;;;;-6.66;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;PL-A;EPAM;25;0;"pH = 7.4";;;;;;;;;-6.09;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;PL-A;EPAM;25;0;;;;;;;;;;-5.74;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;PL-A;EPAM;25;0;;;;;;;;;;-7.37;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;PL-A;EPAM;25;0;;;;;;;;;;-5.09;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;ECACO;37;0;;;;;;;;;;-6.92;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;CACO;ECACO;37;"0, 1";;;;;;;;;;-6.49;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;CACO;ECACO;37;1;;;;;;;;;;-3.9;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;CACO;ECACO;37;"+1-1, -1";;;;;;;;;;-6.74;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate";MM00779;CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2;RKUNBYITZUJHSG-UHFFFAOYSA-N;289.38;1.93;174174;DB00572;OIN;CHEMBL517712;CACO;ECACO;37;1;;;;;;;;;;-4.7;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;CACO;ECACO;37;1;;;;;;;;;;-4.14;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CACO;ECACO;37;+1-1;;;;;;;;;;-5.11;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;ECACO;37;1;;;;;;;;;;-3.99;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Doxycycline;MM01272;CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21;SGKRLCUYIXIAHR-UHFFFAOYSA-N;444.44;-0.5;54671203;DB00254;;CHEMBL3559889;CACO;ECACO;37;+1-1;;;;;;;;;;-5.65;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Ergonovine;MM00487;CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1;WVVSZNPYNCNODU-UHFFFAOYSA-N;325.41;1.53;443884;DB01253;;CHEMBL119443;CACO;ECACO;37;1;;;;;;;;;;-5.17;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;CACO;ECACO;37;1;;;;;;;;;;-5.95;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
"Ethinyl Estradiol";MM00119;C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C;BFPYWIDHMRZLRN-UHFFFAOYSA-N;296.41;3.61;5991;DB00977;3WF;CHEMBL691;CACO;ECACO;37;0;;;;;;;;;;-3.42;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
"Folinic Acid";MM01370;Nc1nc2c(c(=O)[nH]1)N(C=O)C(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2;VVIAGPKUTFNRDU-ABLWVSNPSA-N;473.45;-0.73;135403648;;;;CACO;ECACO;37;-2;;;;;;;;;;-7.52;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;CACO;ECACO;37;-1;;;;;;;;;;-3.96;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CACO;ECACO;37;-2;;;;;;;;;;-7.52;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;CACO;ECACO;37;"1, 0";;;;;;;;;;-3.55;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;MM00548;COc1cc(NC(C)CCCN)c2ncccc2c1;INDBQLZJXZLFIT-UHFFFAOYSA-N;259.35;2.78;4908;DB01087;;CHEMBL506;CACO;ECACO;37;1;;;;;;;;;;-3.75;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Promethazine;MM00550;CC(CN1c2ccccc2Sc2ccccc21)N(C)C;PWWVAXIEGOYWEE-UHFFFAOYSA-N;284.43;4.24;4927;DB01069;;CHEMBL643;CACO;ECACO;37;1;;;;;;;;;;-3.78;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;ECACO;37;0;;;;;;;;;;-4.17;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;37;0;;;;;;;;;;-3.8;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;37;-1;;;;;;;;;;-4.23;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;CACO;ECACO;37;0;;;;;;;;;;-5.21;;;;;;;;;;;;"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003.";"Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman  K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003."
BNP;MM01318;;;819.05;;;;;;DOPC;ECFM;25;-1;;;;;;;;;;;;;;421;;484;;;;;;"Bacalum M., Wang L. N., Boodts S., Yuan P. J., Leen V., Smisdom N., Fron E., Knippenberg S., Fabre G., Trouillas P., Beljonne D., Dehaen W., Boens N., Ameloot M.: A blue-light-emitting BODIPY probe for lipid membranes. Langmuir, 32, 3495, 2016.";"Bacalum M., Wang L. N., Boodts S., Yuan P. J., Leen V., Smisdom N., Fron E., Knippenberg S., Fabre G., Trouillas P., Beljonne D., Dehaen W., Boens N., Ameloot M.: A blue-light-emitting BODIPY probe for lipid membranes. Langmuir, 32, 3495, 2016."
BNP;MM01318;;;819.05;;;;;;DOPC;MDUSG43A1S3;25;-1;;1.4;;11;;33;;;;;;75;;;;;;;;;;"Knippenberg S., Fabre G., Osella S., Di Meo F., Paloncyova M., Ameloot M., Trouillas P.: Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases. Langmuir, 34, 9072−9084, 2018.";"Knippenberg S., Fabre G., Osella S., Di Meo F., Paloncyova M., Ameloot M., Trouillas P.: Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases. Langmuir, 34, 9072−9084, 2018."
DiD-C18;MM01323;"CCCCCCCCCCCCCCCCCCN1/C(=C\C=C\C=C\C2=[N+](CCCCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21";JLLQMAQKNZBSAI-UHFFFAOYSA-N;860.48;19.38;;;;;DOPC;MDUSG43A1S3;25;+1;;1.5;;8;;28;;;;;;85;;;;;;;;;;"Knippenberg S., Fabre G., Osella S., Di Meo F., Paloncyova M., Ameloot M., Trouillas P.: Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases. Langmuir, 34, 9072−9084, 2018.";"Knippenberg S., Fabre G., Osella S., Di Meo F., Paloncyova M., Ameloot M., Trouillas P.: Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases. Langmuir, 34, 9072−9084, 2018."
12-Bodipy-SM;MM01310;CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCC1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)C=C1;PYNXQOJZZCZSSS-XUEKRLFMSA-N;864.95;10.31;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;505;;512;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
12-NBD-PC;MM01311;CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)OP(=O)([O-])CC[N+](C)(C)C;GZHMZQACBBSLFK-VQJSHJPSSA-N;854.08;10.39;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;470;;538;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
12-NBD-SM;MM01312;CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12;FCQMKLRMKNYONQ-MAZYCSAXSA-N;825.04;8.75;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;470;;538;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
4-Atto532-SM;MM01313;;;1091.3;;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;532;;552;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
4-Atto647N-SM;MM01314;CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCN(C)C(=O)c1ccccc1C1=c2cc3c4c(c2C(C)(C)c2cc5c(cc21)C(C)CC(C)(C)N5CC)CCC[N+]=4CCC3;JILDMZLGMITSCT-HWCTZJFSSA-O;1093.51;10.23;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;644;;669;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
5-Bodipy-PC;MM01315;CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCC1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)C=C1)OP(=O)([O-])CC[N+](C)(C)C;FHWWOCMJOVVCFF-LDLOPFEMSA-N;767.75;8.44;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;505;;512;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
5-Bodipy-SM;MM01316;CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC1=[N+]2C(=Cc3ccc(C)n3[B-]2(F)F)C=C1;YPEBMXDSIVVZPE-NXLBBKLISA-N;752.73;7.27;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;505;;512;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
6-NBD-SM;MM01317;CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12;YDBDYTGWMRUUSN-BMCBEUIFSA-N;740.88;6.41;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;470;;538;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Bodipy-Ph-C12;MM01319;;;452.39;;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;500;;512;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Cholestatrienol;MM01320;CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3=CCC21C;YQYYDLWKDGKMKI-UHFFFAOYSA-N;382.63;7.23;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;324;;390;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
C-Laurdan-2;MM01321;CCCCCCCCCC(=O)/C=C/c1ccc2cc(N(C)CC(=O)O)ccc2c1;RVCFXBCNJPOPFI-FOWTUZBSSA-N;395.54;6.08;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;390;;530;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Di-4-Aneppdhq;MM01322;CCCCN(CCCC)c1ccc2cc(/C=C/c3cc[n+](CC(O)C[N+](C)(C)CCO)cc3)ccc2c1;BLTMANPWYWBFIV-UHFFFAOYSA-N;505.75;5.13;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;488;;635;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
DiD-C18;MM01323;"CCCCCCCCCCCCCCCCCCN1/C(=C\C=C\C=C\C2=[N+](CCCCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21";JLLQMAQKNZBSAI-UHFFFAOYSA-N;860.48;19.38;;;;;GENER;ECFM;25;+1;;;;;;;;;;;;;;648;;670;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
DiI-C18;MM01324;"CCCCCCCCCCCCCCCCCCN1/C(=C/C=C\C2=[N+](CCCCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21";IJRJBQGVWNVZSA-UHFFFAOYSA-N;834.44;18.82;;;;;GENER;ECFM;25;+1;;;;;;;;;;;;;;550;;568;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene;MM01325;"C(=C/C=C/c1ccccc1)\C=C\c1ccccc1";BOBLSBAZCVBABY-WPWUJOAOSA-N;232.33;4.97;5376733;;;;GENER;ECFM;25;;;;;;;;;;;;;;;350;;452;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
DSPE-KK114;MM01326;;;1629.97;;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;640;;660;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
DSPE-PEG-KK114;MM01327;;;3641.34;;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;640;;660;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
F2N12S;MM01328;CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)[O-])Cc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(O)c(=O)c2c1;WPDJPXYRAANWHC-UHFFFAOYSA-N;642.9;7.81;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;416;;490;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
F66NS;MM01329;CCCCCCN(CCCCCC)c1ccc(-c2oc3ccc(OCCC[N+](C)(C)CCCS(=O)(=O)[O-])cc3c(=O)c2O)cc1;UBKSOZMIHPWKFY-UHFFFAOYSA-N;644.88;6.91;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;416;;490;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Fast-DiO;MM01330;"CCCCC/C=C/C/C=C/CCCCCCCCN1C(=C/C=C\c2oc3ccccc3[n+]2CCCCCCCC/C=C/C/C=C/CCCCC)Oc2ccccc21";XITNMLXVFXFZSO-WVZYQCMWSA-N;774.21;16.1;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;490;;505;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
FCVJ;MM01331;CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)/C(=C/c1cc2c3c(c1)CCCN3CCC2)CN;MUIGWIRRWUIUDQ-VTTWOXAPSA-N;476.71;6.69;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;433;;500;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;GENER;ECFM;25;;;;;;;;;;;;;;;363;;460;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
C-Laurdan;MM01332;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC(=O)O)ccc2c1;INSWREUMXDGFSD-UHFFFAOYSA-N;397.56;6.46;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;383;;460;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
LcTMA-DPH;MM01334;C[N+](C)(C)CCCCCCCCCCCCCCCCCCCCCCc1ccc(/C=C/C=C/C=C/c2ccccc2)cc1;GXKMPYHJTGKDRF-WGCYQDMNSA-N;599.02;13.02;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;350;;452;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Liss-Rh-DOPE;MM01335;CCCCC/C=C/CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)([O-])CCNS(=O)(=O)c1ccc(-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)c(S(=O)(=O)[O-])c1;UFDVCKXLQMBKLD-PHYUANTMSA-M;1225.62;13.97;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;560;;583;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Liss-Rh-DPPE;MM01371;CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)CCNS(=O)(=O)c1ccc(-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)c(S(=O)(=O)[O-])c1)OC(=O)CCCCCCCCCCCCCCCCC;NGZVAPGTSAZNDE-XKJQNMSGSA-N;1272.74;16.23;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;560;;583;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Naphthopyrene;MM01338;c1ccc2cc3c(cc2c1)CC1CCc2cccc4ccc-3c1c24;FCJZSWGWWYEGRA-UHFFFAOYSA-N;306.41;6.25;13766939;;;;GENER;ECFM;25;;;;;;;;;;;;;;;460;;;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
NBD-Chol;MM01339;CC(CNc1ccc([N+](=O)[O-])c2nonc12)C1CCC2CC3C4CC=C5CC(O)CC(C)C5C4CCC3(C)CC21;PMZYWVHCZADCQV-UHFFFAOYSA-N;548.73;7;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;470;;538;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
NBD-DOPE;MM01340;CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNc1ccc([N+](=O)[O-])c2nonc12)OC(=O)CCCCCCCC=CCCCCCCCC;RKWFXILULDJZBB-UHFFFAOYSA-N;907.14;13.21;101156007;;;;GENER;ECFM;25;;;;;;;;;;;;;;;460;;535;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
NBD-DPPE;MM01341;CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNc1ccc([N+](=O)[O-])c2nonc12)OC(=O)CCCCCCCCCCCCCCC;ODWMPKRLTCWGFP-DIPNUNPCSA-N;855.06;12.09;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;470;;538;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
NR12S;MM01343;CCCCCCCCCCCCCN(CCCOc1ccc2c(=O)cc3oc4cc(N(CC)CC)ccc4nc-3c2c1)CCCS(=O)(=O)[O-];XBRVGJPXNCDKPC-UHFFFAOYSA-M;694.96;8.61;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;550;;626;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Perylene;MM01345;c1cc2cccc3c4cccc5cccc(c(c1)c23)c54;CSHWQDPOILHKBI-UHFFFAOYSA-N;252.32;5.74;9142;;;;GENER;ECFM;25;;;;;;;;;;;;;;;436;;447;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
R18;MM01348;CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12;IVCWQJBZEMJOOW-UHFFFAOYSA-N;696.05;12.28;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;554;;627;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
SM-Atto532;MM01349;CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])OCCNC(=O)CCCN(C)C(=O)c1ccccc1-c1c2ccc(=[NH+]CC)c(S(=O)(=O)[O-])c-2oc2c(S(=O)(=O)[O-])c(NCC)ccc12)NC(=O)CC;NTDOBVLMPRMXEZ-NGRCFTSMSA-L;1104.29;5.43;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;532;;552;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
SM-Atto647N;MM01350;CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])OCCNC(=O)CCCN(C)C(=O)c1ccccc1C1=c2cc3c4c(c2C(C)(C)c2cc5c(cc21)C(C)CC(C)(C)N5CC)CCC[N+]=4CCC3)NC(=O)CCCC;SIJLSLDLQFPMPL-FWAQFDMTSA-N;1134.54;10.83;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;644;;669;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Terrylene;MM01351;c1cc2cccc3c4ccc5c6cccc7cccc(c8ccc(c(c1)c23)c4c85)c76;BIGSSBUECAXJBO-UHFFFAOYSA-N;376.46;8.63;123026;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
Texas_Red-DPPE;MM01352;;;1318.74;;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;595;;614;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
TF-Chol;MM01353;CC1=CC(C)=[N+]2C1=C(CC[C@H](C)[C@H]1CCC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@@]31C)c1c(C)cc(C)n1[B-]2(F)F;CFFWELDLDWZNRO-LDJAJYPCSA-N;576.63;8.84;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;495;;507;;;;;;"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014.";"Klymchenko A.S., Kreder R.: Fluorescent Probes for Lipid Rafts: From Model Membranes to Living Cells. Chem Bio Rev, 21, 97, 2014."
M-Laurdan;MM01336;CCCCCCCCCCCC(=O)c1ccc2cc(NC)ccc2c1;JTSJXBQENXQWCE-UHFFFAOYSA-N;339.52;6.99;;;;;CHCl3;ECFM;25;;;;;;;;;;;;;;;;;430;;0.58;;1.9;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
MoC-Laurdan;MM01337;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC(=O)OC)ccc2c1;DOVHFOSARGETAH-UHFFFAOYSA-N;411.59;6.55;;;;;CHCl3;ECFM;25;;;;;;;;;;;;;;;;;425;;0.48;;2.3;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;CHCl3;ECFM;25;;;;;;;;;;;;;;;;;450;;0.61;;2.7;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
C-Laurdan;MM01332;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC(=O)O)ccc2c1;INSWREUMXDGFSD-UHFFFAOYSA-N;397.56;6.46;;;;;CHCl3;ECFM;25;;;;;;;;;;;;;;;;;428;;0.56;;2.4;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
M-Laurdan;MM01336;CCCCCCCCCCCC(=O)c1ccc2cc(NC)ccc2c1;JTSJXBQENXQWCE-UHFFFAOYSA-N;339.52;6.99;;;;;DOPC;ECFM;20;;;;;;;;;;;;;;;;;480;;;;3.33;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
MoC-Laurdan;MM01337;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC(=O)OC)ccc2c1;DOVHFOSARGETAH-UHFFFAOYSA-N;411.59;6.55;;;;;DOPC;ECFM;20;;;;;;;;;;;;;;;;;475;;;;3.17;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;DOPC;ECFM;20;;;;;;;;;;;;;;;;;500;;;;3.04;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
C-Laurdan;MM01332;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC(=O)O)ccc2c1;INSWREUMXDGFSD-UHFFFAOYSA-N;397.56;6.46;;;;;DOPC;ECFM;20;;;;;;;;;;;;;;;;;500;;;;2.13;;"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014.";"Mazeres S., Joly E., Lopez A., Tardin C.: Characterization of M-Laurdan, a Versatile Probe to Explore Order in Lipid Membranes. F1000Research, 3, 172, 2014."
[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene;MM01325;"C(=C/C=C/c1ccccc1)\C=C\c1ccccc1";BOBLSBAZCVBABY-WPWUJOAOSA-N;232.33;4.97;5376733;;;;DOPC;MDG43A1S3;25;;;0.8;;;;;;;;;;20;;;;;;;;;;"Paloncýová M., Ameloot M., Knippenberg S.: Orientational distribution of DPH in lipid membranes: a comparison of molecular dynamics calculations and experimental time-resolved anisotropy experiments. Phys. Chem. Chem. Phys., 21, 7594, 2019.";"Paloncýová M., Ameloot M., Knippenberg S.: Orientational distribution of DPH in lipid membranes: a comparison of molecular dynamics calculations and experimental time-resolved anisotropy experiments. Phys. Chem. Chem. Phys., 21, 7594, 2019."
PMI-COOH;MM01299;CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(-c6ccc(C(=O)O)cc6)ccc(c6ccc(c2c36)C1=O)c54;RTTUIMWUWZEELF-UHFFFAOYSA-N;601.7;10.15;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;488;;560;;;;4.4;;"Margineanu A, Hotta J, Vallée RA, Van der Auweraer M, Ameloot M, Stefan A, Beljonne D, Engelborghs Y, Herrmann A, Müllen K, De Schryver FC, Hofkens J.: Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging. Biophys J, Volume 93 (8), 2877-2891, 2007";"Margineanu A, Hotta J, Vallée RA, Van der Auweraer M, Ameloot M, Stefan A, Beljonne D, Engelborghs Y, Herrmann A, Müllen K, De Schryver FC, Hofkens J.: Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging. Biophys J, Volume 93 (8), 2877-2891, 2007"
PMI-COOH;MM01299;CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(-c6ccc(C(=O)O)cc6)ccc(c6ccc(c2c36)C1=O)c54;RTTUIMWUWZEELF-UHFFFAOYSA-N;601.7;10.15;;;;;CHCl3;ESSM;25;;;;;;;;;;;;;;;;;;;1;;4.2;;"Margineanu A, Hotta J, Vallée RA, Van der Auweraer M, Ameloot M, Stefan A, Beljonne D, Engelborghs Y, Herrmann A, Müllen K, De Schryver FC, Hofkens J.: Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging. Biophys J, Volume 93 (8), 2877-2891, 2007";"Margineanu A, Hotta J, Vallée RA, Van der Auweraer M, Ameloot M, Stefan A, Beljonne D, Engelborghs Y, Herrmann A, Müllen K, De Schryver FC, Hofkens J.: Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging. Biophys J, Volume 93 (8), 2877-2891, 2007"
Laurdan_S1;MM01372;;;353.54;;;;;;DOPC;MDCH27;27;;;1.415;;;;;;;;;;;;;;;;;;;;"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010.";"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010."
Prodan_S1;MM01373;;;227.302;;;;;;DOPC;MDCH27;27;;;1.566;;;;;;;;;;;;;;;;;;;;"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010.";"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010."
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;MM01346;CCC(=O)c1ccc2cc(N(C)C)ccc2c1;MPPQGYCZBNURDG-UHFFFAOYSA-N;227.31;3.5;107729;;;;DOPC;MDCH27;27;;;1.385;;;;;;;;;;;;;;;;;;;;"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010.";"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010."
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;DOPC;MDCH27;27;;;1.187;;;;;;;;;;;;;;;;;;;;"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010.";"Barucha-Kraszewska J., Kraszewski S., Jurkiewicz  P., Ramseyer C., Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim. Biophys. Acta, 1798, 1724–1734, 2010."
"2-[(6-hexadecanoylnaphthalen-2-yl)-methylamino]ethyl-trimethylazanium;chloride";MM01344;CCCCCCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC[N+](C)(C)C)ccc2c1;DOPJEOYTUOCZDE-UHFFFAOYSA-N;481.79;8.65;2762653;;;;DOPC;EPFQ;20;;;1.04;;;;;;;;;;;;;;475;;;;;;"Jurkiewicz P., Olzynska A., Langner M., Hof M.: Headgroup Hydration and Mobility of DOTAP/DOPC Bilayers: A Fluorescence Solvent Relaxation Study. Langmuir, 22, 8741-8749, 2006.";"Jurkiewicz P., Olzynska A., Langner M., Hof M.: Headgroup Hydration and Mobility of DOTAP/DOPC Bilayers: A Fluorescence Solvent Relaxation Study. Langmuir, 22, 8741-8749, 2006."
"2-[(6-hexadecanoylnaphthalen-2-yl)-methylamino]ethyl-trimethylazanium;chloride";MM01344;CCCCCCCCCCCCCCCC(=O)c1ccc2cc(N(C)CC[N+](C)(C)C)ccc2c1;DOPJEOYTUOCZDE-UHFFFAOYSA-N;481.79;8.65;2762653;;;;DOPC;ETRFES;40;;;;;;;;;;;;;;;;;480;;;;3.5;;"Lakowicz J.R., Kcherek H., Laczko G., Gratton E.: Time-resolved fluorecence emission spectra of labeled phospholipid vesicles, as observed using multi-frequency phase-modulation fluorometry. Biochim. Biophys. Acta , 777, 183-193 , 1984.";"Lakowicz J.R., Kcherek H., Laczko G., Gratton E.: Time-resolved fluorecence emission spectra of labeled phospholipid vesicles, as observed using multi-frequency phase-modulation fluorometry. Biochim. Biophys. Acta , 777, 183-193 , 1984."
"Actinomycin D";MM01374;Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O;RJURFGZVJUQBHK-UHFFFAOYSA-N;1255.44;0.73;457193;;;CHEMBL1554;PL-A;EPAM;25;0;;;;;;;;;;-7.74;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;PL-A;EPAM;25;1;;;;;;;;;;-5.7;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;PL-A;EPAM;25;1;;;;;;;;;;-4.92;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;PL-A;EPAM;25;1;;;;;;;;;;-5.19;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Colchicine;MM00345;COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2;IAKHMKGGTNLKSZ-UHFFFAOYSA-N;399.44;2.87;6167;DB01394;LOC;CHEMBL87;PL-A;EPAM;25;0;;;;;;;;;;-7.6;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;PL-A;EPAM;25;0;;;;;;;;;;-5.66555;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;PL-A;EPAM;25;0;;;;;;;;;;-6.39;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;PL-A;EPAM;25;1;;;;;;;;;;-4.85;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;PL-A;EPAM;25;1;;;;;;;;;;-5.46;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Emetine;MM01376;CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21;AUVVAXYIELKVAI-UHFFFAOYSA-N;480.65;4.94;10219;;;CHEMBL50588;PL-A;EPAM;25;2;;;;;;;;;;-5.19;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;PL-A;EPAM;25;1;;;;;;;;;;-5.1;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Etoposide;MM00361;COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O;VJJPUSNTGOMMGY-UHFFFAOYSA-N;588.56;1.34;36462;DB00773;EVP;CHEMBL44657;PL-A;EPAM;25;0;;;;;;;;;;-6.48;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Ketoconazole;MM00506;CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1;XMAYWYJOQHXEEK-UHFFFAOYSA-N;531.44;4.21;3823;DB01026;KTN;CHEMBL157101;PL-A;EPAM;25;1;;;;;;;;;;-5.04;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;PL-A;EPAM;25;0;;;;;;;;;;-5.23;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Loratadine;MM00385;CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1;JCCNYMKQOSZNPW-UHFFFAOYSA-N;382.89;4.89;3957;DB00455;;CHEMBL998;PL-A;EPAM;25;0;;;;;;;;;;-5.52;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
"Methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate";MM01377;COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1;OPXLLQIJSORQAM-UHFFFAOYSA-N;295.3;2.97;4030;;;;PL-A;EPAM;25;0;;;;;;;;;;-5.02;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;PL-A;EPAM;25;-2;;;;;;;;;;-7.43;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;PL-A;EPAM;25;1;;;;;;;;;;-4.96;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;MM00522;O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21;KKZJGLLVHKMTCM-UHFFFAOYSA-N;444.49;-0.14;4212;DB01204;MIX;CHEMBL58;PL-A;EPAM;25;2;;;;;;;;;;-6.15;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;MM01378;CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1;ALWKGYPQUAPLQC-UHFFFAOYSA-N;223.3;1.94;4456;;;;PL-A;EPAM;25;1;;;;;;;;;;-5.96;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;PL-A;EPAM;25;1;;;;;;;;;;-4.89;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
"Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate";MM00397;COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-];HYIMSNHJOBLJNT-UHFFFAOYSA-N;346.34;2.18;4485;DB01115;;CHEMBL193;PL-A;EPAM;25;0;;;;;;;;;;-4.96;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;PL-A;EPAM;25;1;;;;;;;;;;-7.96;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;PL-A;EPAM;25;1;;;;;;;;;;-6.26;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Puromycin;MM01379;COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1;RXWNCPJZOCPEPQ-UHFFFAOYSA-N;471.52;-0.79;439530;;;;PL-A;EPAM;25;1;;;;;;;;;;-7;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
"(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate";MM01380;CN(C)C(=O)Oc1ccc[n+](C)c1;RVOLLAQWKVFTGE-UHFFFAOYSA-N;181.22;0.57;4991;;;;PL-A;EPAM;25;1;;;;;;;;;;-6.85;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;PL-A;EPAM;25;1;;;;;;;;;;-5.38;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Reserpine;MM01381;COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC;QEVHRUUCFGRFIF-UHFFFAOYSA-N;608.69;4.17;5770;;;CHEMBL772;PL-A;EPAM;25;0;;;;;;;;;;-5.21;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;PL-A;EPAM;25;1;;;;;;;;;;-6.77;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;PL-A;EPAM;25;0;;;;;;;;;;-4.74;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
6-phenylpteridine-2,4,7-triamine;MM00577;Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1;FNYLWPVRPXGIIP-UHFFFAOYSA-N;253.27;0.83;5546;DB00384;DX2;CHEMBL585;PL-A;EPAM;25;1;;;;;;;;;;-6.8;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;PL-A;EPAM;25;1;;;;;;;;;;-5.66;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;PL-A;EPAM;25;2;;;;;;;;;;-5.39;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
Yohimbine;MM01382;COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21;BLGXFZZNTVWLAY-UHFFFAOYSA-N;354.45;2.65;8969;;;;PL-A;EPAM;25;0;;;;;;;;;;-5.31;;;;;;;;;;;;"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004.";"Kerns E. H., Di L., Petusky S., Farris M., Ley R., Jupp P.: Combined Application of Parallel Artificial Membrane Permeability Assay and Caco-2 Permeability Assays in Drug Discovery. J. Pharm. Sci., 93(6), 1440-1453, 2004."
NR12S;MM01343;CCCCCCCCCCCCCN(CCCOc1ccc2c(=O)cc3oc4cc(N(CC)CC)ccc4nc-3c2c1)CCCS(=O)(=O)[O-];XBRVGJPXNCDKPC-UHFFFAOYSA-M;694.96;8.61;;;;;DOPC;ETRFES;20;;;;;;;;;;;;;;;;;;;;;;;"Kucherak  O.A., Oncul S., Darwich Z., Yushchenko D.A., Arntz Y., Didier, P., Mély Y., Klymchenko A.S.: Switchable Nile Red-Based Probe for Cholesterol and Lipid Order at the Outer Leaflet of Biomembranes. J. Am. Chem. Soc., 132, 4907, 2010.";"Kucherak  O.A., Oncul S., Darwich Z., Yushchenko D.A., Arntz Y., Didier, P., Mély Y., Klymchenko A.S.: Switchable Nile Red-Based Probe for Cholesterol and Lipid Order at the Outer Leaflet of Biomembranes. J. Am. Chem. Soc., 132, 4907, 2010."
9-(diethylamino)benzo[a]phenoxazin-5-one;MM01342;CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3oc2c1;VOFUROIFQGPCGE-UHFFFAOYSA-N;318.38;4.29;65182;;;;DOPC;ETRFES;20;;;;;;;;;;;;;;;549;;628;;0.42;;;;"Kucherak  O.A., Oncul S., Darwich Z., Yushchenko D.A., Arntz Y., Didier, P., Mély Y., Klymchenko A.S.: Switchable Nile Red-Based Probe for Cholesterol and Lipid Order at the Outer Leaflet of Biomembranes. J. Am. Chem. Soc., 132, 4907, 2010.";"Kucherak  O.A., Oncul S., Darwich Z., Yushchenko D.A., Arntz Y., Didier, P., Mély Y., Klymchenko A.S.: Switchable Nile Red-Based Probe for Cholesterol and Lipid Order at the Outer Leaflet of Biomembranes. J. Am. Chem. Soc., 132, 4907, 2010."
NR12S;MM01343;CCCCCCCCCCCCCN(CCCOc1ccc2c(=O)cc3oc4cc(N(CC)CC)ccc4nc-3c2c1)CCCS(=O)(=O)[O-];XBRVGJPXNCDKPC-UHFFFAOYSA-M;694.96;8.61;;;;;DOPC_DOPE_CHOL;MDSLA99SB;25;;;1.3;;;;;;;;;;;;;;;;;;;;"Pyrshev K. A., Yesylevskyy S. O., Mély Y., Demchenko A. P., Klymchenko A. S.:  Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study. BBA - Biomembranes, 1859, 2123–213, 2017.2";"Pyrshev K. A., Yesylevskyy S. O., Mély Y., Demchenko A. P., Klymchenko A. S.:  Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study. BBA - Biomembranes, 1859, 2123–213, 2017.2"
NR12S;MM01343;CCCCCCCCCCCCCN(CCCOc1ccc2c(=O)cc3oc4cc(N(CC)CC)ccc4nc-3c2c1)CCCS(=O)(=O)[O-];XBRVGJPXNCDKPC-UHFFFAOYSA-M;694.96;8.61;;;;;SM_CHOL;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Pyrshev K. A., Yesylevskyy S. O., Mély Y., Demchenko A. P., Klymchenko A. S.:  Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study. BBA - Biomembranes, 1859, 2123–213, 2017.2";"Pyrshev K. A., Yesylevskyy S. O., Mély Y., Demchenko A. P., Klymchenko A. S.:  Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study. BBA - Biomembranes, 1859, 2123–213, 2017.2"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;EPHT;25;0;;;;;;;;3.8;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;EPHT;25;0;;;;;;;;4.45;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
"5-Phenylvaleric Acid";MM00097;O=C(O)CCCCc1ccccc1;BYHDDXPKOZIZRV-UHFFFAOYSA-N;178.23;2.48;16757;DB04051;5PV;CHEMBL443064;DOPC;EPHT;25;0;;;;;;;;3.17;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;DOPC;EPHT;25;0;;;;;;;;3.46;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DOPC;EPHT;25;0;;;;;;;;3.45;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;DOPC;EPHT;25;0;;;;;;;;2.39;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Tetracaine;MM00205;CCCCNc1ccc(C(=O)OCCN(C)C)cc1;GKCBAIGFKIBETG-UHFFFAOYSA-N;264.37;2.62;5411;DB09085;TE4;CHEMBL698;DOPC;EPHT;25;0;;;;;;;;3.23;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;DOPC;EPHT;25;0;;;;;;;;2.38;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;EPHT;25;-1;;;;;;;;1.81;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;EPHT;25;-1;;;;;;;;2.64;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
"5-Phenylvaleric Acid";MM00097;O=C(O)CCCCc1ccccc1;BYHDDXPKOZIZRV-UHFFFAOYSA-N;178.23;2.48;16757;DB04051;5PV;CHEMBL443064;DOPC;EPHT;25;-1;;;;;;;;1.66;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;DOPC;EPHT;25;-1;;;;;;;;1.38;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DOPC;EPHT;25;1;;;;;;;;2.61;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;DOPC;EPHT;25;1;;;;;;;;1.22;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Tetracaine;MM00205;CCCCNc1ccc(C(=O)OCCN(C)C)cc1;GKCBAIGFKIBETG-UHFFFAOYSA-N;264.37;2.62;5411;DB09085;TE4;CHEMBL698;DOPC;EPHT;25;1;;;;;;;;2.11;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;DOPC;EPHT;25;1;;;;;;;;0.76;;;;;;;;;;;;;;"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998.";"Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs,  Pharm Res, 5(2), 209-215, 1998."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;EggPC;EPHT;25;0;;;;;;;;5.1;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
"2,4-Dichlorophenoxyacetic Acid";MM01383;O=C(O)COc1ccc(Cl)cc1Cl;OVSKIKFHRZPJSS-UHFFFAOYSA-N;221.04;2.46;1486;;;;EggPC;EPHT;25;0;;;;;;;;3.6;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;EggPC;EPHT;25;0;;;;;;;;2.2;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EggPC;EPHT;25;0;;;;;;;;3.4;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;EggPC;EPHT;25;0;;;;;;;;2.7;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;EggPC;EPHT;25;1;;;;;;;;3.1;0.2;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
"2,4-Dichlorophenoxyacetic Acid";MM01383;O=C(O)COc1ccc(Cl)cc1Cl;OVSKIKFHRZPJSS-UHFFFAOYSA-N;221.04;2.46;1486;;;;EggPC;EPHT;25;-1;;;;;;;;1.7;0.3;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;EggPC;EPHT;25;1;;;;;;;;0.7;0.4;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EggPC;EPHT;25;1;;;;;;;;2.6;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;EggPC;EPHT;25;1;;;;;;;;1.9;0.1;;;;;;;;;;;;;"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007.";"Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007."
F2N12S;MM01328;CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)[O-])Cc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(O)c(=O)c2c1;WPDJPXYRAANWHC-UHFFFAOYSA-N;642.9;7.81;;;;;POPC;MDG87;37;;;1.08;;;;;;;;;;53.2;;;;;;;;;;"Timr S., Bondar A., Cwiklik L., Stefl M., Hof M., Vazdar M., Lazar J., Jungwirth P.: Accurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane. J. Phys. Chem. B,118, 855−863, 2014.";"Timr S., Bondar A., Cwiklik L., Stefl M., Hof M., Vazdar M., Lazar J., Jungwirth P.: Accurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane. J. Phys. Chem. B,118, 855−863, 2014."
F2N12S;MM01328;CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)[O-])Cc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(O)c(=O)c2c1;WPDJPXYRAANWHC-UHFFFAOYSA-N;642.9;7.81;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;;;510;;;;;;"Klymchenko A.S., Oncul S., Didier P., Schaub E., Bagatolli L., Duportail G., Mely Y.: Visualization of lipid domains in giant unilamellar vesicles using an environment-sensitive membrane probe based on 3-hydroxyflavone. Biochim. Biophys. Acta, 1788, 495–499, 2009.";"Klymchenko A.S., Oncul S., Didier P., Schaub E., Bagatolli L., Duportail G., Mely Y.: Visualization of lipid domains in giant unilamellar vesicles using an environment-sensitive membrane probe based on 3-hydroxyflavone. Biochim. Biophys. Acta, 1788, 495–499, 2009."
F66NS;MM01329;CCCCCCN(CCCCCC)c1ccc(-c2oc3ccc(OCCC[N+](C)(C)CCCS(=O)(=O)[O-])cc3c(=O)c2O)cc1;UBKSOZMIHPWKFY-UHFFFAOYSA-N;644.88;6.91;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;;;480;;;;;;"Darwich Z, Kucherak OA, Kreder R, Richert L, Vauchelles R, Mély Y, Klymchenko AS.: Rational design of fluorescent membrane probes for apoptosis based on 3-hydroxyflavone. Methods Appl Fluoresc, Volume 1 (2), 025002, 2013";"Darwich Z, Kucherak OA, Kreder R, Richert L, Vauchelles R, Mély Y, Klymchenko AS.: Rational design of fluorescent membrane probes for apoptosis based on 3-hydroxyflavone. Methods Appl Fluoresc, Volume 1 (2), 025002, 2013"
FCVJ;MM01331;CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)/C(=C/c1cc2c3c(c1)CCCN3CCC2)CN;MUIGWIRRWUIUDQ-VTTWOXAPSA-N;476.71;6.69;;;;;GENER;ETRFES;25;;;;;;;;;;;;;;;483;;503;;;;;;"Haidekker M. A., Ling T., Anglo M., Stevens H. Y., Frangos  J. A., Theodorakis E. A.: New fuorescent probes for the measurement of cell membrane viscosity. Chem. Biol., 8, 123, 2001.";"Haidekker M. A., Ling T., Anglo M., Stevens H. Y., Frangos  J. A., Theodorakis E. A.: New fuorescent probes for the measurement of cell membrane viscosity. Chem. Biol., 8, 123, 2001."
C-Laurdan-2;MM01321;CCCCCCCCCC(=O)/C=C/c1ccc2cc(N(C)CC(=O)O)ccc2c1;RVCFXBCNJPOPFI-FOWTUZBSSA-N;395.54;6.08;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;406;;491;;;;1.45;;"Kim H. M., Jeong B. H., Hyon J.-Y., An M. J., Seo M. S, Hong J. H., Lee K. J., Kim C. H., Joo T., Hong S.-C., Cho B. R.: Two-Photon Fluorescent Turn-On Probe for Lipid Rafts in Live Cell and Tissue, J. Am. Chem. Soc., 130, 4246-4247, 2008.";"Kim H. M., Jeong B. H., Hyon J.-Y., An M. J., Seo M. S, Hong J. H., Lee K. J., Kim C. H., Joo T., Hong S.-C., Cho B. R.: Two-Photon Fluorescent Turn-On Probe for Lipid Rafts in Live Cell and Tissue, J. Am. Chem. Soc., 130, 4246-4247, 2008."
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;DOPC;CCM18;25;0;;3.56;;6.42;;0.56;;-1.08;;-3.79;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DOPC;CCM18;25;0;;1.43;;5.17;;1.71;;0.08;;-2.46;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;DOPC;CCM18;25;1;;1.43;;18.56;;5.59;;2.23;;-12.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-Naphthoic Acid";MM00592;O=C(O)c1cccc2ccccc12;LNETULKMXZVUST-UHFFFAOYSA-N;172.18;2.54;6847;;;;DOPC;CCM18;25;0;;1.21;;3.6;;4.14;;2.22;;-0.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Propylamine;MM00436;CCCN;WGYKZJWCGVVSQN-UHFFFAOYSA-N;59.11;0.36;7852;;;;DOPC;CCM18;25;1;;1.5;;20.34;;4.98;;1.82;;-13.46;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;DOPC;CCM18;25;0;;1.65;;6.68;;1.68;;0.82;;-2.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;DOPC;CCM18;25;0;;3.63;;9.59;;0.95;;-5.47;;-6.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;DOPC;CCM18;25;0;;1.65;;6.4;;0.84;;-0.07;;-3.29;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;DOPC;CCM18;25;0;;1.5;;5.92;;2.19;;0.72;;-2.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;DOPC;CCM18;25;0;;1.5;;5.72;;1.69;;0.47;;-2.39;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;DOPC;CCM18;25;0;;1.14;;3.52;;4.7;;2.62;;0.16;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-carboxymethylphenyl Acetyl_NHMe";MM01305;CNC(=O)Cc1ccc(C(=O)O)cc1;YPRZYKHZGFQSPK-UHFFFAOYSA-N;193.2;0.67;;;;;DOPC;CCM18;25;0;;1.43;;6.52;;2.26;;0.44;;-2.96;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-carboxymethylphenyl Acetyl-Gly-NMe2";MM01304;CN(C)C(=O)CNC(=O)Cc1ccc(C(=O)O)cc1;GDAMBRWKLGWCQC-UHFFFAOYSA-N;264.28;0.13;;;;;DOPC;CCM18;25;0;;1.43;;6.48;;2.89;;0.45;;-3.09;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-carboxymethylphenyl Acetyl-NMe2";MM01306;CN(C)C(=O)Cc1ccc(C(=O)O)cc1;LJTQUFHONBMKSS-UHFFFAOYSA-N;207.23;1.02;;;;;DOPC;CCM18;25;0;;1.43;;6.65;;2.91;;0.96;;-2.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Hydroxybenzoic Acid";MM00609;O=C(O)c1ccc(O)cc1;FJKROLUGYXJWQN-UHFFFAOYSA-N;138.12;1.09;135;DB04242;PHB;CHEMBL441343;DOPC;CCM18;25;0;;1.58;;7.07;;1.65;;0.72;;-2.91;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylbenzoic Acid";MM00610;Cc1ccc(C(=O)O)cc1;LPNBBFKOUUSUDB-UHFFFAOYSA-N;136.15;1.69;7470;;;;DOPC;CCM18;25;0;;1.21;;3.77;;3.37;;1.71;;-0.45;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylphenylacetic Acid";MM00611;Cc1ccc(CC(=O)O)cc1;GXXXUZIRGXYDFP-UHFFFAOYSA-N;150.18;1.62;248474;;;;DOPC;CCM18;25;0;;1.28;;4.04;;3.34;;1.61;;-0.6;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;DOPC;CCM18;25;0;;1.14;;3.65;;6.11;;3.49;;0.34;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;DOPC;CCM18;25;0;;3.48;;7.49;;0.3;;-0.84;;-4.35;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DOPC;CCM18;25;0;;1.65;;4.78;;0.46;;-0.19;;-2.35;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;DOPC;CCM18;25;0;;2.02;;9.77;;0.33;;-0.5;;-6.01;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Carbamoyl-methylhippuric Acid";MM00615;Cc1ccc(C(=O)NC(C(N)=O)C(=O)O)cc1;XJHVEOWGYHOARJ-UHFFFAOYSA-N;236.23;-0.34;54472514;;;;DOPC;CCM18;25;0;;1.8;;12.22;;1.42;;-0.02;;-7.51;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Carbamoyl-p-Toluic Acid";MM01303;NC(=O)Cc1ccc(C(=O)O)cc1;YMKXCDDRWMQOBA-UHFFFAOYSA-N;179.18;0.41;23273690;;;;DOPC;CCM18;25;0;;1.65;;8.11;;1.41;;0.16;;-4.34;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Carboxy-p-methylhippuric Acid";MM00617;Cc1ccc(C(=O)NC(C(=O)O)C(=O)O)cc1;UMFHYXBPSFCHSI-UHFFFAOYSA-N;237.21;0.26;17851005;;;;DOPC;CCM18;25;0;;1.72;;11.37;;1.57;;0.34;;-6.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Carboxy-p-Toluic Acid";MM00618;O=C(O)Cc1ccc(C(=O)O)cc1;DMEDOWYXHVUPMO-UHFFFAOYSA-N;180.16;1.01;220005;;;;DOPC;CCM18;25;0;;1.72;;9.03;;1.8;;0.61;;-4.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Cyano-p-methylhippuric Acid";MM00621;Cc1ccc(C(=O)NC(C#N)C(=O)O)cc1;ALQYGLQIKVIMRP-UHFFFAOYSA-N;218.21;0.7;129821670;;;;DOPC;CCM18;25;0;;1.58;;9.25;;1.85;;0.29;;-5.13;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Cyano-p-Toluic Acid";MM00622;N#CCc1ccc(C(=O)O)cc1;RSGBXCFAYHOKQZ-UHFFFAOYSA-N;161.16;1.45;270871;;;;DOPC;CCM18;25;0;;1.5;;5.18;;2.4;;0.84;;-1.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Hydroxy-p-Toluic Acid";MM00624;O=C(O)c1ccc(CO)cc1;WWYFPDXEIFBNKE-UHFFFAOYSA-N;152.15;0.88;76360;;;;DOPC;CCM18;25;0;;1.58;;6.65;;1.31;;0.2;;-3.22;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Chloro-p-methylhippuric Acid";MM00619;Cc1ccc(C(=O)NC(Cl)C(=O)O)cc1;JYSJDCPCSAHBNY-UHFFFAOYSA-N;227.65;1.37;129821671;;;;DOPC;CCM18;25;0;;1.43;;7.3;;3.22;;1.26;;-3.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Chloro-p-Toluic Acid";MM00620;O=C(O)c1ccc(CCl)cc1;OITNBJHJJGMFBN-UHFFFAOYSA-N;170.6;2.12;74234;;;;DOPC;CCM18;25;0;;1.28;;3.78;;3.45;;1.69;;-0.55;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;DOPC;CCM18;25;0;;3.41;;4.91;;0.23;;-2.15;;-2.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;DOPC;CCM18;25;0;;1.28;;3.87;;2.64;;1.3;;-0.77;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;DOPC;CCM18;25;0;;1.8;;5.47;;0.89;;0.27;;-2.38;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DOPC;CCM18;25;0;;1.28;;2.97;;2.17;;;;-1.18;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DOPC;CCM18;25;0;;1.36;;3.96;;1.73;;0.59;;-1.41;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Citric Acid";MM00642;O=C(O)CC(O)(CC(=O)O)C(=O)O;KRKNYBCHXYNGOX-UHFFFAOYSA-N;192.12;-1.25;311;DB04272;CIT;CHEMBL1261;DOPC;CCM18;25;0;;1.87;;8.71;;1.32;;0.35;;-4.38;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;DOPC;CCM18;25;0;;1.14;;2.34;;5.19;;2.08;;-1.24;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Capric Acid";MM00635;CCCCCCCCCC(=O)O;GHVNFZFCNZKVNT-UHFFFAOYSA-N;172.27;3.21;2969;DB03600;DKA;CHEMBL107498;DOPC;CCM18;25;0;;0.99;;2.77;;8.3;;4.9;;1.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-Fructose;MM00351;OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O;LKDRXBCSQODPBY-VRPWFDPXSA-N;180.16;-3.22;2723872;;;;DOPC;CCM18;25;0;;3.56;;10.31;;0.62;;-5.48;;-6.74;;;;;;;;;;;;"in-house calculations";"in-house calculations"
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;DOPC;CCM18;25;0;;3.41;;14.05;;0.68;;-4.58;;-9.43;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Dipicolinic Acid";MM00643;O=C(O)c1cccc(C(=O)O)n1;WJJMNDUMQPNECX-UHFFFAOYSA-N;167.12;0.48;10367;DB04267;;;DOPC;CCM18;25;0;;1.58;;5.29;;1.74;;0.47;;-2.03;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;DOPC;CCM18;25;0;;1.28;;5.57;;7.76;;;;-1.43;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;DOPC;CCM18;25;0;;1.58;;7.15;;1.58;;;;-3.58;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Meso-erythritol;MM00068;OC[C@H](O)[C@H](O)CO;UNXHWFMMPAWVPI-ZXZARUISSA-N;122.12;-2.31;222285;DB04481;MRY;CHEMBL349605;DOPC;CCM18;25;0;;3.48;;8.19;;0.6;;-5.4;;-5;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DOPC;CCM18;25;0;;1.43;;3.32;;0.5;;-0.27;;-2.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanolamine;MM00490;NCCO;HZAXFHJVJLSVMW-UHFFFAOYSA-N;61.08;-1.06;700;DB03994;ETA;CHEMBL104943;DOPC;CCM18;25;0;;3.48;;7.49;;0.48;;-5.28;;-4.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;DOPC;CCM18;25;1;;1.58;;22.57;;4.47;;1.5;;-14.23;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;DOPC;CCM18;25;0;;1.36;;3.29;;0.97;;-0.01;;-1.85;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;DOPC;CCM18;25;0;;3.48;;7.27;;0.33;;-5.27;;-4.36;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Formamide;MM00365;NC=O;ZHNUHDYFZUAESO-UHFFFAOYSA-N;45.04;-0.9;713;;;;DOPC;CCM18;25;0;;3.41;;7.65;;0.15;;-1;;-4.39;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Formic Acid";MM00649;O=CO;BDAGIHXWWSANSR-UHFFFAOYSA-N;46.03;-0.3;284;DB01942;FMT;CHEMBL116736;DOPC;CCM18;25;0;;1.94;;5.18;;0.28;;-0.25;;-2.56;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;DOPC;CCM18;25;0;;3.26;;8.37;;0.49;;-3.7;;-5.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;DOPC;CCM18;25;0;;1.21;;3.48;;3.47;;1.65;;-0.51;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Histamine;MM00500;NCCc1cnc[nH]1;NTYJJOPFIAHURM-UHFFFAOYSA-N;111.15;-0.09;774;DB05381;HSM;CHEMBL90;DOPC;CCM18;25;0;;1.58;;7.87;;0.71;;-0.34;;-4.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;DOPC;CCM18;25;0;;1.43;;5.05;;4.87;;0.78;;-2.51;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrofluoric Acid";MM00655;F;KRHYYFGTRYWZRS-UHFFFAOYSA-N;20.01;0.15;14917;DB11072;;CHEMBL1232767;DOPC;CCM18;25;0;;1.94;;6.95;;1.04;;0.34;;-2.96;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;DOPC;CCM18;25;0;;1.58;;3.38;;1.15;;0.53;;-1.22;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;DOPC;CCM18;25;0;;1.87;;5.56;;0.81;;0.2;;-2.47;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;DOPC;CCM18;25;0;;0.84;;0.66;;10.85;;6.22;;-0.99;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Isobutyramide;MM00378;CC(C)C(N)=O;WFKAJVHLWXSISD-UHFFFAOYSA-N;87.12;0.13;68424;;;;DOPC;CCM18;25;0;;1.5;;5.76;;1.13;;0.06;;-2.77;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Isobutyric Acid";MM00658;CC(C)C(=O)O;KQNPFQTWMSNSAP-UHFFFAOYSA-N;88.11;0.73;6590;DB02531;ALQ;CHEMBL108778;DOPC;CCM18;25;0;;1.36;;3.93;;1.74;;0.62;;-1.4;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Isovaleric Acid";MM00659;CC(C)CC(=O)O;GWYFCOCPABKNJV-UHFFFAOYSA-N;102.13;1.12;10430;DB03750;IVA;CHEMBL568737;DOPC;CCM18;25;0;;1.28;;3.64;;2.54;;1.1;;-0.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;DOPC;CCM18;25;0;;1.21;;4.86;;8;;;;0.21;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Lactic Acid";MM00664;CC(O)C(=O)O;JVTAAEKCZFNVCJ-UHFFFAOYSA-N;90.08;-0.55;107689;;;;DOPC;CCM18;25;0;;1.8;;5.89;;0.49;;-0.28;;-3.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;DOPC;CCM18;25;0;;1.06;;4.16;;11.87;;6.29;;-1.16;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Malic Acid";MM00666;O=C(O)CC(O)C(=O)O;BJEPYKJPYRNKOW-UHFFFAOYSA-N;134.09;-1.09;525;DB12751;;CHEMBL1455497;DOPC;CCM18;25;0;;1.94;;8.57;;0.64;;-0.18;;-4.62;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methylamine;MM00515;CN;BAVYZALUXZFZLV-UHFFFAOYSA-N;31.06;-0.43;6329;DB01828;NME;CHEMBL43280;DOPC;CCM18;25;1;;1.65;;24.15;;4.01;;1.27;;-14.73;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Methylamine;MM00515;CN;BAVYZALUXZFZLV-UHFFFAOYSA-N;31.06;-0.43;6329;DB01828;NME;CHEMBL43280;DOPC;CCM18;25;0;;3.41;;3.71;;0.31;;-0.58;;-2.24;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;DOPC;CCM18;25;0;;1.58;;4.63;;1.23;;0.62;;-1.46;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octanoic Acid";MM00676;CCCCCCCC(=O)O;WWZKQHOCKIZLMA-UHFFFAOYSA-N;144.21;2.43;379;DB04519;OCA;CHEMBL324846;DOPC;CCM18;25;0;;1.14;;3.13;;5.7;;3.1;;0.44;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pentanamide;MM00403;CCCCC(N)=O;IPWFJLQDVFKJDU-UHFFFAOYSA-N;101.15;0.66;12298;;;;DOPC;CCM18;25;0;;1.36;;5.61;;1.85;;0.51;;-2.29;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amylamine;MM00537;CCCCCN;DPBLXKKOBLCELK-UHFFFAOYSA-N;87.17;1.14;8060;DB02045;AML;;DOPC;CCM18;25;1;;1.36;;16.96;;6.29;;2.73;;-12.14;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;DOPC;CCM18;25;0;;1.43;;5.4;;2.3;;0.99;;-1.69;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Phloretin;MM00681;O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O;VGEREEWJJVICBM-UHFFFAOYSA-N;274.27;2.32;4788;DB07810;G50;CHEMBL45068;DOPC;CCM18;25;0;;1.43;;8.03;;3.22;;1.68;;-2.82;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Pivalic Acid";MM00683;CC(C)(C)C(=O)O;IUGYQRQAERSCNH-UHFFFAOYSA-N;102.13;1.12;6417;;;;DOPC;CCM18;25;0;;1.28;;3.67;;2.55;;1.13;;-0.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;DOPC;CCM18;25;0;;1.43;;6.19;;5.14;;1;;-2.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;DOPC;CCM18;25;0;;1.36;;3.13;;1.26;;0.23;;-1.64;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propanamide;MM00413;CCC(N)=O;QLNJFJADRCOGBJ-UHFFFAOYSA-N;73.1;-0.12;6578;DB04161;ROP;CHEMBL1235716;DOPC;CCM18;25;0;;1.72;;6.43;;0.57;;-0.4;;-3.53;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propionic Acid";MM00685;CCC(=O)O;XBDQKXXYIPTUBI-UHFFFAOYSA-N;74.08;0.48;1032;DB03766;PPI;CHEMBL14021;DOPC;CCM18;25;0;;1.43;;4.28;;0.88;;0.09;;-1.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DOPC;CCM18;25;0;;1.14;;2.71;;6.62;;;;-0.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propylene Glycol";MM00414;CC(O)CO;DNIAPMSPPWPWGF-UHFFFAOYSA-N;76.1;-0.64;1030;DB01839;;CHEMBL286398;DOPC;CCM18;25;0;;3.48;;6.68;;0.46;;-2.08;;-4;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;DOPC;CCM18;25;0;;1.28;;3.42;;2.52;;1.31;;-0.72;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Sebacic Acid";MM00689;O=C(O)CCCCCCCCC(=O)O;CXMXRPHRNRROMY-UHFFFAOYSA-N;202.25;2.28;5192;DB07645;DEC;CHEMBL1232164;DOPC;CCM18;25;0;;1.28;;4.84;;4.09;;1.78;;-0.93;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;DOPC;CCM18;25;0;;3.63;;18.82;;1.52;;-5.48;;-13.16;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DOPC;CCM18;25;0;;3.63;;6.64;;1.01;;-0.71;;-3.96;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Thiocyanic Acid";MM00692;N#CS;ZMZDMBWJUHKJPS-UHFFFAOYSA-N;59.09;0.4;781;;;;DOPC;CCM18;25;0;;1.65;;3.34;;0.74;;0.17;;-1.61;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Tiglic Acid";MM00694;"C/C=C(\C)C(=O)O";UIERETOOQGIECD-ONEGZZNKSA-N;100.12;1.04;125468;;;;DOPC;CCM18;25;0;;1.36;;3.99;;2.2;;0.88;;-1.21;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Ala;MM00695;Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1;LUQFCOKRPYVJGV-QMMMGPOBSA-N;207.23;1.2;702949;;;;DOPC;CCM18;25;0;;1.43;;4.77;;4.03;;1.64;;-0.91;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Ala-Ala;MM00696;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)O)cc1;FBAZKLTYPHRTPD-RGURZIINSA-N;278.31;0.7;;;;;DOPC;CCM18;25;0;;1.43;;7.7;;4.35;;1.71;;-2.83;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Ala-Ala-Ala;MM00697;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)NC(C)C(=O)O)cc1;AWXUDMFMJWEFLI-CXQJBGSLSA-N;349.39;0.21;;;;;DOPC;CCM18;25;0;;1.5;;11.37;;4.58;;1.3;;-5.85;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly;MM00698;Cc1ccc(C(=O)NCC(=O)O)cc1;NRSCPTLHWVWLLH-UHFFFAOYSA-N;193.2;0.81;97479;;;;DOPC;CCM18;25;0;;1.43;;8.19;;2.59;;1.1;;-3.79;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Gly;MM00699;Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1;GFMIXHRADKOCKD-UHFFFAOYSA-N;250.25;-0.07;1612474;;;;DOPC;CCM18;25;0;;1.5;;11.14;;2.6;;0.82;;-6.28;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Gly-Gly;MM00700;Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1;OQIOHQJDADAQRO-UHFFFAOYSA-N;307.31;-0.96;;;;;DOPC;CCM18;25;0;;1.65;;14.89;;3.37;;1.04;;-8.69;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Gly-Sar;MM00701;Cc1ccc(C(=O)NCC(=O)NCC(=O)N(C)CC(=O)O)cc1;GPOXNQMQXBXEJG-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC;CCM18;25;0;;1.58;;14.14;;2.43;;0.36;;-8.84;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Sar;MM00702;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)O)cc1;LKGQGAPFEYAOCE-UHFFFAOYSA-N;264.28;0.27;43356167;;;;DOPC;CCM18;25;0;;1.28;;7.7;;3.64;;1.3;;-3.2;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Sar-Gly;MM00703;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)NCC(=O)O)cc1;VDLFQRLCHVTMPD-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC;CCM18;25;0;;1.58;;13.16;;2.23;;0.37;;-8.07;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar;MM00704;Cc1ccc(C(=O)N(C)CC(=O)O)cc1;WKEPQHRTXMIHLM-UHFFFAOYSA-N;207.23;1.15;16777360;;;;DOPC;CCM18;25;0;;1.43;;7.83;;3.2;;1.28;;-3.25;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar-Gly;MM00705;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)O)cc1;JDZZMSKJRWYDMH-UHFFFAOYSA-N;264.28;0.27;;;;;DOPC;CCM18;25;0;;1.43;;8.8;;3.88;;1.31;;-3.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar-Gly-Gly;MM00706;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)NCC(=O)O)cc1;GQINUZIFINBVAM-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC;CCM18;25;0;;1.58;;11.83;;3.06;;0.75;;-6.92;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar-Sar-Gly;MM00707;Cc1ccc(C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O)cc1;GQJNIDFZAHXWIX-UHFFFAOYSA-N;335.36;-0.27;;;;;DOPC;CCM18;25;0;;1.5;;12.28;;2.97;;0.59;;-7.28;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;DOPC;CCM18;25;0;;1.28;;4.39;;3.15;;;;-0.97;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Tryptophan;MM00759;N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O;QIVBCDIJIAJPQS-VIFPVBQESA-N;204.23;1.12;6305;DB00150;TRP;CHEMBL54976;DOPC;CCM18;25;0;;1.5;;4.84;;2.95;;1.28;;-1.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;DOPC;CCM18;25;0;;2.02;;9.21;;0.25;;-0.47;;-5.39;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Valeric Acid";MM00710;CCCCC(=O)O;NQPDZGIKBAWPEJ-UHFFFAOYSA-N;102.13;1.26;7991;DB02406;LEA;CHEMBL268736;DOPC;CCM18;25;0;;1.28;;3.63;;2.57;;1.13;;-0.92;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Vanillic Acid";MM00712;COc1cc(C(=O)O)ccc1O;WKOLLVMJNQIZCI-UHFFFAOYSA-N;168.15;1.1;8468;DB02130;VNL;CHEMBL120568;DOPC;CCM18;25;0;;1.43;;4.86;;2.08;;0.87;;-1.55;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;DOPC;CCM18;25;0;;0.92;;1.56;;13.09;;;;-1.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;CCM18;25;0;;3.34;;7.83;;0.08;;-1.95;;-4.61;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;DOPC;CCM18;25;-1;;1.65;;10.56;;2.86;;1.4;;-17.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;DOPC;CCM18;25;-1;;2.31;;31.2;;1.54;;0.61;;-28.08;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;DOPC;CCM18;25;-1;;2.6;;43.26;;0.98;;0.21;;-25.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;DOPC;CCM18;25;-1;;2.09;;22.64;;1.73;;0.86;;-23.58;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Palmitic Acid";MM00678;CCCCCCCCCCCCCCCC(=O)O;IPCSVZSSVZVIGE-UHFFFAOYSA-N;256.43;5.55;985;DB03796;PLM;CHEMBL82293;DOPC;CCM18;25;-1;;1.28;;7.71;;13.73;;9.04;;-18.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;DOPC;CCM18;25;-1;;2.31;;28.57;;1.57;;0.63;;-24.3;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2,4-Dichlorophenoxyacetic Acid";MM01383;O=C(O)COc1ccc(Cl)cc1Cl;OVSKIKFHRZPJSS-UHFFFAOYSA-N;221.04;2.46;1486;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-4.38;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;DOPC;EPAMOL;25;0;;;;;;;;;;-3.4;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
3,5-Dimethoxyphenol;MM01385;COc1cc(O)cc(OC)c1;XQDNFAMOIPNVES-UHFFFAOYSA-N;154.17;1.41;10383;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-4.12;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"4-Hydroxybenzoic Acid";MM00609;O=C(O)c1ccc(O)cc1;FJKROLUGYXJWQN-UHFFFAOYSA-N;138.12;1.09;135;DB04242;PHB;CHEMBL441343;DOPC;EPAMOL;25;0;;;;;;;;;;-5.73;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
4-Nitrophenol;MM00819;O=[N+]([O-])c1ccc(O)cc1;BTJIUGUIPKRLHP-UHFFFAOYSA-N;139.11;1.3;980;DB04417;NPO;CHEMBL14130;DOPC;EPAMOL;25;0;;;;;;;;;;-5.25;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;DOPC;EPAMOL;25;0;;;;;;;;;;-2.13;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"4-Propoxybenzoic Acid";MM01386;CCCOc1ccc(C(=O)O)cc1;GDFUWFOCYZZGQU-UHFFFAOYSA-N;180.2;2.17;138500;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-3.55;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;DOPC;EPAMOL;25;0;;;;;;;;;;-3.36;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DOPC;EPAMOL;25;0;;;;;;;;;;-5.56;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;MM01387;CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12;BQXQGZPYHWWCEB-UHFFFAOYSA-N;298.39;3.06;71739;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-3.98;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"Methyl N-(1H-benzimidazol-2-yl)carbamate";MM01388;COC(=O)Nc1nc2ccccc2[nH]1;TWFZGCMQGLPBSX-UHFFFAOYSA-N;191.19;1.74;25429;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-4.84;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;DOPC;EPAMOL;25;0;;;;;;;;;;0.94;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Chlorthalidone;MM00343;NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl;JIVPVXMEBJLZRO-UHFFFAOYSA-N;338.77;0.92;2732;DB00310;;CHEMBL1055;DOPC;EPAMOL;25;0;;;;;;;;;;-5.97;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;DOPC;EPAMOL;25;0;;;;;;;;;;-0.83;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;EPAMOL;25;0;;;;;;;;;;-2.58;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;DOPC;EPAMOL;25;0;;;;;;;;;;-2.67;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;DOPC;EPAMOL;25;0;;;;;;;;;;-0.95;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Physostigmine;MM00295;CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C;PIJVFDBKTWXHHD-HIFRSBDPSA-N;275.35;1.77;5983;DB00981;;CHEMBL94;DOPC;EPAMOL;25;0;;;;;;;;;;-4.62;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;MM01389;CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1;LSLYOANBFKQKPT-UHFFFAOYSA-N;303.36;2.06;3343;;;CHEMBL32800;DOPC;EPAMOL;25;0;;;;;;;;;;-6.24;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;DOPC;EPAMOL;25;0;;;;;;;;;;-5.18;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;DOPC;EPAMOL;25;0;;;;;;;;;;0.07;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;DOPC;EPAMOL;25;0;;;;;;;;;;-2.55;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;DOPC;EPAMOL;25;0;;;;;;;;;;-4.96;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;DOPC;EPAMOL;25;0;;;;;;;;;;-2.15;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;EPAMOL;25;0;;;;;;;;;;-2.46;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;DOPC;EPAMOL;25;0;;;;;;;;;;-3.38;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;DOPC;EPAMOL;25;0;;;;;;;;;;-2.51;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;DOPC;EPAMOL;25;0;;;;;;;;;;-4.16;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine;MM01390;O=[N+]([O-])c1ccc(/C=N/O)o1;PTBKFATYSVLSSD-ZZXKWVIFSA-N;156.1;1;6478035;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-5.08;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline;MM00534;COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC;XQYZDYMELSJDRZ-UHFFFAOYSA-N;339.39;3.86;4680;DB01113;EV1;CHEMBL19224;DOPC;EPAMOL;25;0;;;;;;;;;;-3.06;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;MM00535;CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1;KQXKVJAGOJTNJS-HNNXBMFYSA-N;291.44;3.47;37464;DB01359;;CHEMBL1290;DOPC;EPAMOL;25;0;;;;;;;;;;0.3;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
P-F-Deprenyl;MM01391;C#CCN(C)C(C)Cc1ccc(F)cc1;MUDUXRHPVDVWHU-UHFFFAOYSA-N;205.28;2.32;128418;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-0.73;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;DOPC;EPAMOL;25;0;;;;;;;;;;-2.8;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;DOPC;EPAMOL;25;0;;;;;;;;;;-4.99;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;DOPC;EPAMOL;25;0;;;;;;;;;;-3.99;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;DOPC;EPAMOL;25;0;;;;;;;;;;-2.13;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;DOPC;EPAMOL;25;0;;;;;;;;;;-4.14;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Sulfacetamide;MM01392;CC(=O)NS(=O)(=O)c1ccc(N)cc1;SKIVFJLNDNKQPD-UHFFFAOYSA-N;214.25;0.09;5320;;;;DOPC;EPAMOL;25;0;;;;;;;;;;-6.68;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Tetracaine;MM00205;CCCCNc1ccc(C(=O)OCCN(C)C)cc1;GKCBAIGFKIBETG-UHFFFAOYSA-N;264.37;2.62;5411;DB09085;TE4;CHEMBL698;DOPC;EPAMOL;25;0;;;;;;;;;;-1.98;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;DOPC;EPAMOL;25;0;;;;;;;;;;-6.77;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Tramadol;MM01393;COc1cccc(C2(O)CCCCC2CN(C)C)c1;TVYLLZQTGLZFBW-UHFFFAOYSA-N;263.38;2.63;33741;;;CHEMBL1066;DOPC;EPAMOL;25;0;;;;;;;;;;-1.49;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;DOPC;EPAMOL;25;0;;;;;;;;;;-1.54;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;DOPC;EPAMOL;25;0;;;;;;;;;;-2.9;;;;;;;;;;;;"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004.";"Huque F.T.T., Box K., Platts J.A., Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. J.Pharm.Sci, 23(3), 223-232, 2004."
S-Laurdan-2;MM01394;CCCCCCCCCC(=O)/C=C/c1ccc2cc(N(C)CCS(=O)(=O)[O-])ccc2c1;HWOHCHDIRYMCGG-FOWTUZBSSA-M;444.62;5.54;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;400;;490;;;;1.1;;"Lim C. S., Kim H. J., Lee J. H., Tian Y. S., Kim C. H., Kim H.M., Joo T., Cho B. R.: A Two-Photon Turn-On Probe for Lipid Rafts with Minimum Internalization, ChemBioChem, 12, 392 – 395 2011.";"Lim C. S., Kim H. J., Lee J. H., Tian Y. S., Kim C. H., Kim H.M., Joo T., Cho B. R.: A Two-Photon Turn-On Probe for Lipid Rafts with Minimum Internalization, ChemBioChem, 12, 392 – 395 2011."
Di-4-Anepps;MM01395;CCCCN(CCCC)c1ccc2cc(/C=C/c3cc[n+](CCCS(=O)(=O)[O-])cc3)ccc2c1;HAPJROQJVSPKCJ-UHFFFAOYSA-N;480.67;5.64;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
F2N8;MM01396;CCCCCCCC[N+](C)(C)Cc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(O)c(=[OH+])c2c1;HEVFMJBFLOZBRP-UHFFFAOYSA-P;480.69;6.59;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
F4N1;MM01397;CCCCN(CCCC)c1ccc(-c2oc3ccc(C[N+](C)(C)C)cc3c(=[OH+])c2O)cc1;YDQMJHWJRGOBLZ-UHFFFAOYSA-P;438.61;5.42;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
F8N1S;MM01398;CCCCCCCCN(CCCCCCCC)c1ccc(-c2oc3ccc(C[N+](C)(C)CCCS(=O)(=O)[O-])cc3c(=[OH+])c2O)cc1;SIWKBWGDAISQOF-UHFFFAOYSA-O;657.94;7.85;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
BPPZ;MM01399;O=c1c(O)c(-c2ccc(N3CCN(c4cc[n+](CCCS(=O)(=O)[O-])cc4)CC3)cc2)oc2ccc3ccccc3c12;XEUHDNWDBZSMJR-UHFFFAOYSA-N;571.66;3.87;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
PPZ8;MM01400;CCCCCCCCOc1ccc2oc(-c3ccc(N4CCN(c5cc[n+](CCCS(=O)(=O)[O-])cc5)CC4)cc3)c(O)c(=O)c2c1;LTABEJUGZOOVHR-UHFFFAOYSA-N;649.81;5.45;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
Di-SFA;MM01401;CCN(CC)c1ccc2cc(-c3oc4ccc(/C=C/c5cc(/C=C/c6ccc(S(=O)(=O)[O-])cc6)cc(/C=C/c6ccc(S(=O)(=O)[O-])cc6)c5)cc4c(=O)c3O)oc2c1;RHBRZWADBPMQGR-DVJWZOGQSA-L;813.91;9.08;;;;;GENER;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009.";"Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009."
Bodipy-Fl-C12;MM01402;Cc1cc(C)n2c1C=C1C=CC(CCCCCCCCCCCC(=O)O)=[N+]1[B-]2(F)F;IVNLGSVFTDHKLD-UHFFFAOYSA-N;418.34;6.08;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013.";"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013."
Bodipy-Fl-DHPE;MM01403;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)C=C1)OC(=O)CCCCCCCCCCCCCCC;UNBRYGZFXGLCTI-UHFFFAOYSA-N;966.05;13.15;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013.";"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013."
DiO-C18;MM01404;CCCCC/C=C/C/C=C/CCCCCCCCN1C(=C/C=C/c2oc3ccccc3[n+]2CCCCCCCC/C=C/C/C=C/CCCCC)Oc2ccccc21;XITNMLXVFXFZSO-WVZYQCMWSA-N;774.21;16.1;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013.";"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013."
Bodipy-Ph-C12;MM01319;;;452.39;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;495;;520;;;;;;"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013.";"Wu Y. L., Štefl M., Olzyńska A., Hof M., Yahioglu G., Yip P., Casey D. R., Ces O., Humpolickova J., Kuimova M. K.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys. Chem. Chem. Phys., 15, 14986, 2013."
FDAPT;MM01411;CN(C)c1ccc(-c2ccc(C=O)s2)cc1;HWOFIKQEHJTDQH-UHFFFAOYSA-N;231.32;3.29;;;;;DMPC;ETRFES;25;;;;;;;;;;;;;;;400;;493;;;;;;"Sahu S., Sharma A., Mishra A. K.: Multiparametric Sensing of Membrane Bilayer Properties with a Highly Environment-Susceptible Fluorophore. J. Phys. Chem. B ,122, 7308−7318, 2018.";"Sahu S., Sharma A., Mishra A. K.: Multiparametric Sensing of Membrane Bilayer Properties with a Highly Environment-Susceptible Fluorophore. J. Phys. Chem. B ,122, 7308−7318, 2018."
CPD;MM01412;CCCCCCCCC1(CCOCCOCCOC)c2cc(N)ccc2-c2ccc(C=O)cc21;NNLDMRRCMONVSN-UHFFFAOYSA-N;467.65;6.17;;;;;DPPC;ECFM;25;;;;;;;;;;;;;;;430;;460;;;;;;"Sakai N., Matile S.: Conjugated Polyimine Dynamers as Phase-Sensitive Membrane Probes. J. Am. Chem. Soc., 140, 11438−11443, 2018.";"Sakai N., Matile S.: Conjugated Polyimine Dynamers as Phase-Sensitive Membrane Probes. J. Am. Chem. Soc., 140, 11438−11443, 2018."
C6_Dyad;MM01413;CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N(C)CCCCCCOc4ccc5ccc6c7ccccc7cc7ccc4c5c76)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1;GBBZLUKBCQIARJ-UHFFFAOYSA-N;922.18;11.08;;;;;CHCl3;EFCS;25;;;;;;;;;;;;;;;375;;580;;;;;;"Hoang H.T.,  Haubitz T., Kumke M. U.: Photophysics of 'Floppy' Dyads as Potential Biomembrane. Probes, J. Fluo, 28, 1225, 2018.";"Hoang H.T.,  Haubitz T., Kumke M. U.: Photophysics of 'Floppy' Dyads as Potential Biomembrane. Probes, J. Fluo, 28, 1225, 2018."
Bodipy-HPC;MM01414;CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC1=[N+]2C(=Cc3ccc(CCCC)n3[B-]2(F)F)C=C1;WATITQAXAIMHPS-UHFFFAOYSA-N;881.93;10.7;;;;;DPPC;MDCH27;50;+2-2;;0.8;;;;;;;;;;25;;;;;;;;;;"Song K. C., Livanec P. W., Klauda J. B., Kuczera K., Dunn R. C., Im W.: Orientation of Fluorescent Lipid Analog BODIPY-PC to Probe Lipid Membrane Properties: Insights from Molecular Dynamics Simulations. J Phys Chem B, 115, 6157, 2011.";"Song K. C., Livanec P. W., Klauda J. B., Kuczera K., Dunn R. C., Im W.: Orientation of Fluorescent Lipid Analog BODIPY-PC to Probe Lipid Membrane Properties: Insights from Molecular Dynamics Simulations. J Phys Chem B, 115, 6157, 2011."
Bodipy-C6-ceramide;MM01415;CCCCCC(=O)NC(CO)[C@@H](O)/C=C/CCCCCCCCCc1ccc2n1[B-](F)(F)[N+]1=C(C)C=C(C)C1=C2;AUPDQBRQZNVAEC-XCXFYXRDSA-N;559.55;6.14;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;;;;;;;;;"Li L., Dwivedi  M., Erwin N., Möbitz S., Nussbaumer P., Winter R.: Interaction of KRas4B protein with C6-ceramide containing lipid model membranes. Biochim. Biophys. Acta, Biomembr., 1860, 1008–1014, 2018.";"Li L., Dwivedi  M., Erwin N., Möbitz S., Nussbaumer P., Winter R.: Interaction of KRas4B protein with C6-ceramide containing lipid model membranes. Biochim. Biophys. Acta, Biomembr., 1860, 1008–1014, 2018."
FR3;MM01416;CN(C)c1ccc2c(c1)C(C)(C)c1cc(C(=O)c3cn(C4C[C@H](O)[C@H](CO)O4)nn3)ccc1-2;UMHWVPXWPAHLIH-OJSMNCEXSA-N;448.52;2.52;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;390;;510;;0.57;;;;"Shaya J., Collot  M., Benailly F., Mahmoud N., Mely Y., Michel B. Y., Klymchenko  A. S., Burger A.: Turn-on Fluorene Push−Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem. Biol, 12, 3022−3030, 2017.";"Shaya J., Collot  M., Benailly F., Mahmoud N., Mely Y., Michel B. Y., Klymchenko  A. S., Burger A.: Turn-on Fluorene Push−Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem. Biol, 12, 3022−3030, 2017."
FR4;MM01417;CCCCCCCCCCCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1;IPPNTFWFAJIHAO-UHFFFAOYSA-N;500.73;7.8;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;410;;549;;0.24;;;;"Shaya J., Collot  M., Benailly F., Mahmoud N., Mely Y., Michel B. Y., Klymchenko  A. S., Burger A.: Turn-on Fluorene Push−Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem. Biol, 12, 3022−3030, 2017.";"Shaya J., Collot  M., Benailly F., Mahmoud N., Mely Y., Michel B. Y., Klymchenko  A. S., Burger A.: Turn-on Fluorene Push−Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem. Biol, 12, 3022−3030, 2017."
FR5;MM01418;CCCCCCCCCCCC[N+](C)(CCCn1cc(C(=O)c2ccc3c(c2)C(C)(C)c2cc(N(C)C)ccc2-3)nn1)CCCS(=O)(=O)[O-];WYZSBTPWZKHGJL-UHFFFAOYSA-N;694;7.57;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;399;;514;;0.59;;;;"Shaya J., Collot  M., Benailly F., Mahmoud N., Mely Y., Michel B. Y., Klymchenko  A. S., Burger A.: Turn-on Fluorene Push−Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem. Biol, 12, 3022−3030, 2017.";"Shaya J., Collot  M., Benailly F., Mahmoud N., Mely Y., Michel B. Y., Klymchenko  A. S., Burger A.: Turn-on Fluorene Push−Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem. Biol, 12, 3022−3030, 2017."
F2N12SM;MM01419;CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)[O-])Cc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(OC)c(=O)c2c1;UYNMTXKQVSBMJY-UHFFFAOYSA-N;656.93;8.12;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;402;;480;;0.33;;;;"Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E., Mely Y.,  Klymchenko A.S.: Blue fluorogenic probes for cell plasma membranes fill the gap in multicolour imaging. RSC Adv., 5, 22899, 2015.";"Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E., Mely Y.,  Klymchenko A.S.: Blue fluorogenic probes for cell plasma membranes fill the gap in multicolour imaging. RSC Adv., 5, 22899, 2015."
FC12SM;MM01420;CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)[O-])Cc1ccc2oc(-c3cc4ccc(N(CC)CC)cc4o3)c(OC)c(=O)c2c1;FWBDDKVAACIFGK-UHFFFAOYSA-N;696.95;8.86;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;450;;544;;0.37;;;;"Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E., Mely Y.,  Klymchenko A.S.: Blue fluorogenic probes for cell plasma membranes fill the gap in multicolour imaging. RSC Adv., 5, 22899, 2015.";"Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E., Mely Y.,  Klymchenko A.S.: Blue fluorogenic probes for cell plasma membranes fill the gap in multicolour imaging. RSC Adv., 5, 22899, 2015."
PA;MM01421;O=Cc1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43;BHHXGBICLAQTSP-UHFFFAOYSA-N;313.4;5.39;;;;;DOPC;ETRFES;25;;;;;;;;;;;;;;;425;;581;;0.25;;;;"Niko Y., Didier P., Mely Y., Konishi G.-I., Klymchenko A.S.: Bright and photostable push-pull pyrene dye visualizes lipid order variation between plasma and intracellular membranes. Sci. Rep., 6, 18870, 2016.";"Niko Y., Didier P., Mely Y., Konishi G.-I., Klymchenko A.S.: Bright and photostable push-pull pyrene dye visualizes lipid order variation between plasma and intracellular membranes. Sci. Rep., 6, 18870, 2016."
T1;MM01422;CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1;YWUQKOQTOCTBDN-UHFFFAOYSA-N;472.54;5.99;;;;;CHCl3;ETRFES;25;;;;;;;;;;;;;;;370;;426;;0.92;;1.1;;"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017.";"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017."
T2;MM01423;CCOC(=O)c1cc(C#Cc2ccc3ccccc3c2)c(C(=O)OCC)cc1C#Cc1ccc([N+](=O)[O-])cc1;NMPZFMZMLZHKKZ-UHFFFAOYSA-N;517.54;5.9;;;;;CHCl3;ETRFES;25;;;;;;;;;;;;;;;;;;;;;;;"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017.";"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017."
T3;MM01424;CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccccc1;QLAQUTCXGCVDBL-UHFFFAOYSA-N;527.62;6.2;;;;;CHCl3;ETRFES;25;;;;;;;;;;;;;;;409;;596;;0.19;;1.37;;"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017.";"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017."
T4;MM01425;CCOC(=O)c1cc(C#Cc2ccc3cc(N4CCC4)ccc3c2)c(C(=O)OCC)cc1C#Cc1ccc([N+](=O)[O-])cc1;VQRQZPUCAAAYTO-UHFFFAOYSA-N;572.62;6.11;;;;;CHCl3;ETRFES;25;;;;;;;;;;;;;;;;;;;;;;;"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017.";"Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017."
2,7-9E-BHVC12;MM01426;CCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc3c4ccc(/C=C/c5cc[n+](CCCCCCCCCCCC)cc5)cc4n(CCOCC)c3c2)cc1;BBRBWONNCJIGEN-UHFFFAOYSA-N;784.23;14.59;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;488;;590;;;;;;"Tian M.G., Liu Y., Sun Y.M., Zhang R.Y., Feng R.Q., Zhang G., Guo L.F., Li X., Yu X.Q., Sun J.Z., He X.Q.: A single fluorescent probe enables clearly discriminating and simultaneously imaging liquid-ordered and liquid-disordered microdomains in plasma membrane of living cells. Biomat., 120, 46e56, 2017.";"Tian M.G., Liu Y., Sun Y.M., Zhang R.Y., Feng R.Q., Zhang G., Guo L.F., Li X., Yu X.Q., Sun J.Z., He X.Q.: A single fluorescent probe enables clearly discriminating and simultaneously imaging liquid-ordered and liquid-disordered microdomains in plasma membrane of living cells. Biomat., 120, 46e56, 2017."
3,6-9E-BHVC12;MM01427;CCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc3c(c2)c2cc(/C=C/c4cc[n+](CCCCCCCCCCCC)cc4)ccc2n3CCOCC)cc1;QUGHUDATJBIFKM-UHFFFAOYSA-N;784.23;14.59;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;488;;590;;;;;;"Tian M.G., Liu Y., Sun Y.M., Zhang R.Y., Feng R.Q., Zhang G., Guo L.F., Li X., Yu X.Q., Sun J.Z., He X.Q.: A single fluorescent probe enables clearly discriminating and simultaneously imaging liquid-ordered and liquid-disordered microdomains in plasma membrane of living cells. Biomat., 120, 46e56, 2017.";"Tian M.G., Liu Y., Sun Y.M., Zhang R.Y., Feng R.Q., Zhang G., Guo L.F., Li X., Yu X.Q., Sun J.Z., He X.Q.: A single fluorescent probe enables clearly discriminating and simultaneously imaging liquid-ordered and liquid-disordered microdomains in plasma membrane of living cells. Biomat., 120, 46e56, 2017."
FR0;MM01428;CCN(CC)c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2;VSQXRUTXUOYQIF-UHFFFAOYSA-N;293.41;4.65;;;;;TOL;ETRFES;25;;;;;;;;;;;;;;;395;;434;;0.98;;;;"Kucherak  O.A., Didier P., Mely Y., Klymchenko A.S.: Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism. J. Phys. Chem. Lett., 1,  616, 2010.";"Kucherak  O.A., Didier P., Mely Y., Klymchenko A.S.: Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism. J. Phys. Chem. Lett., 1,  616, 2010."
FR8;MM01429;CCCCCCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(CC)CC)ccc1-2;NTSBCVRJXLNHIT-UHFFFAOYSA-N;405.63;7.77;;;;;TOL;ETRFES;25;;;;;;;;;;;;;;;383;;425;;0.83;;;;"Kucherak  O.A., Didier P., Mely Y., Klymchenko A.S.: Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism. J. Phys. Chem. Lett., 1,  616, 2010.";"Kucherak  O.A., Didier P., Mely Y., Klymchenko A.S.: Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism. J. Phys. Chem. Lett., 1,  616, 2010."
Benzene;MM00129;c1ccccc1;UHOVQNZJYSORNB-UHFFFAOYSA-N;78.11;1.69;241;;BNZ;CHEMBL277500;SC;EFDC;30;0;;;;;;;;;;-4.36;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;SC;EFDC;30;+1;;;;;;;;;;-8.16;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
"Dimethyl Sulfoxide";MM00966;CS(C)=O;IAZDPXIOMUYVGZ-UHFFFAOYSA-N;78.14;-0.01;679;DB01093;DMS;CHEMBL504;SC;EFDC;30;0;;;;;;;;;;-6.66;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;SC;EFDC;30;0;;;;;;;;;;-6.36;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;SC;EFDC;30;-1;;;;;;;;;;-6.56;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;SC;EFDC;30;+1;;;;;;;;;;-5.36;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;SC;EFDC;30;0;;;;;;;;;;-6.26;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;SC;EFDC;30;0;;;;;;;;;;-6.46;;;;;;;;;;;;"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018";"Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;CACO;ECACO;37;0;;;;;;;;;;-4.11;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;ECACO;37;-1,0;;;;;;;;;;-4.35;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;37;0;;;;;;;;;;-5.58;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;CACO;ECACO;37;+1;;;;;;;;;;-6.02;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine;MM01430;NC(N)=NCC1COc2ccccc2O1;HIUVKVDQFXDZHU-UHFFFAOYSA-N;207.23;0.31;16564;" DB13211";;CHEMBL76725;CACO;ECACO;37;+1;;;;;;;;;;-4.71;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;CACO;ECACO;37;+1,0;;;;;;;;;;-4.14;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;CACO;ECACO;37;+1,0;;;;;;;;;;-4.21;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
"(E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)prop-2-enoic acid";MM01431;CSc1ccc2ncn(C=CC(=O)O)c(=O)c2c1;VHFPVEGFRVEDBK-UHFFFAOYSA-N;262.29;1.67;6435375;;;CHEMBL337379;CACO;ECACO;37;-1;;;;;;;;;;-4.9;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;ECACO;37;+1;;;;;;;;;;-5.86;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;37;+1;;;;;;;;;;-6.63;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;CACO;ECACO;37;+1;;;;;;;;;;-4.26;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;37;0;;;;;;;;;;-4.23;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;37;-1;;;;;;;;;;-4.27;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;37;-1;;;;;;;;;;-6.09;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;CACO;ECACO;37;+1;;;;;;;;;;-6.16;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Nitrendipine;MM00398;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1;PVHUJELLJLJGLN-UHFFFAOYSA-N;360.37;2.57;4507;DB01054;;CHEMBL475534;CACO;ECACO;37;0;;;;;;;;;;-4.77;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Fleroxacin;MM00736;CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1;XBJBPGROQZJDOJ-UHFFFAOYSA-N;369.34;1.7;3357;DB04576;;CHEMBL6273;CACO;ECACO;37;-1,0;;;;;;;;;;-4.81;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;CACO;ECACO;37;0,+1;;;;;;;;;;-4.31;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;37;+1;;;;;;;;;;-4.58;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Mibefradil;MM01432;COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2C1C(C)C;HBNPJJILLOYFJU-UHFFFAOYSA-N;495.64;5.27;60663;DB01388;;CHEMBL45816;CACO;ECACO;37;+1,+2;;;;;;;;;;-4.87;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Bosentan;MM01433;COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO;GJPICJJJRGTNOD-UHFFFAOYSA-N;551.63;4.2;104865;DB00559;;CHEMBL957;CACO;ECACO;37;-1,0;;;;;;;;;;-5.89;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Proscillaridin;MM01434;CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1O;MYEJFUXQJGHEQK-UHFFFAOYSA-N;530.66;3.01;5284613;DB13307;;CHEMBL600325;CACO;ECACO;37;+1;;;;;;;;;;-6.2;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Ceftriaxone;MM01435;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1;VAAUVRVFOQPIGI-UHFFFAOYSA-N;554.59;-1.2;5479530;" DB01212";;161;CACO;ECACO;37;-2;;;;;;;;;;-6.88;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Remikiren;MM01436;CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1;UXIGZRQVLGFTOU-VQXQMPIVSA-N;630.85;4.78;6324659;DB00212;;CHEMBL31601;CACO;ECACO;37;0,+1;;;;;;;;;;-6.13;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;CACO;ECACO;37;0,+1;;;;;;;;;;-6.26;;;;;;;;;;;;"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998";"Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;37;0;;;;;;;;;;-6.74;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;ECACO;37;+1;;;;;;;;;;-6.42;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;ECACO;37;+1;;;;;;;;;;-4.39;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;+1;;;;;;;;;;-4.38;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;ECACO;37;+1;;;;;;;;;;-6.05;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;37;+1;;;;;;;;;;-6.7;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;37;+1;;;;;;;;;;-4.57;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;37;0;;;;;;;;;;-4.29;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;CACO;ECACO;37;-2;;;;;;;;;;-6.96;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;37;-1;;;;;;;;;;-4.42;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;CACO;ECACO;37;0;;;;;;;;;;-4.26;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;ECACO;37;0;;;;;;;;;;-4.67;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Felodipine;MM00363;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl;RZTAMFZIAATZDJ-UHFFFAOYSA-N;384.26;3.96;3333;DB01023;;CHEMBL1480;CACO;ECACO;37;0;;;;;;;;;;-4.64;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;ECACO;37;0;;;;;;;;;;-4.9;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;37;"-2, -1";;;;;;;;;;-6.89;;;;;;;;;;;;"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991.";"Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun., 175, 880–885, 1991."
Me-ciprofloxacin;MM01307;CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;TXJIOKSSHCOKKH-UHFFFAOYSA-N;345.37;1.93;465907;;;;CACO;ECACO;37;;;;;;;;;;;-4.59;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;CACO;ECACO;37;;;;;;;;;;;-5.2;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
"1-cyclopropyl-7-(4-ethyl-3-methylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00728;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;POMKZSJIYNWBRP-UHFFFAOYSA-N;373.43;2.7;10109876;;;;CACO;ECACO;37;;;;;;;;;;;-4.77;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
CNV97103;MM00729;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;WPGHZQMHNTXSAF-UHFFFAOYSA-N;387.46;3.09;13326823;;;;CACO;ECACO;37;;;;;;;;;;;-4.82;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
"7-(4-butyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00730;CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;QPVCGSGGZMAACV-UHFFFAOYSA-N;401.48;3.48;13385166;;;;CACO;ECACO;37;;;;;;;;;;;-4.86;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;CACO;ECACO;37;;;;;;;;;;;-4.96;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
"6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid";MM00771;O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O;XBHBWNFJWIASRO-UHFFFAOYSA-N;385.37;2.38;56208;DB11491;;CHEMBL37858;CACO;ECACO;37;;;;;;;;;;;-5.35;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;CACO;ECACO;37;;;;;;;;;;;-4.54;;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Bromacetazolamide;MM01442;;;;;;;;;EYE-Cornea;EPS;37;;;;;;;;;;;-6.17;;;;;;;;;;;;"Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986.";"Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986."
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;MM01443;CC(=O)N=c1sc(S(N)(=O)=O)nn1C;FLOSMHQXBMRNHR-UHFFFAOYSA-N;236.28;-1.42;4100;DB00703;;19;EYE-Cornea;EPS;37;;;;;;;;;;;-5.14;;;;;;;;;;;;"Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986.";"Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986."
Trichlormethazolamide;MM01444;;;;;;;;;EYE-Cornea;EPS;37;;;;;;;;;;;-4.62;;;;;;;;;;;;"Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986.";"Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986."
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;EYE-Cornea;EPS;34;;;;;;;;;;;-4.12;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
"5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid";MM01445;O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1;IMZMKUWMOSJXDT-UHFFFAOYSA-N;468.37;2.11;2882;DB01003;;428880;EYE-Cornea;EPS;34;;;;;;;;;;;-5.96;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
"2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid";MM01446;O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O;KCXVZYZYPLLWCC-UHFFFAOYSA-N;292.24;-2.07;6049;"DB00974  ";;;EYE-Cornea;EPS;34;;;;;;;;;;;-5.68;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;EYE-Cornea;EPS;34;;;;;;;;;;;-5.35;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;EYE-Cornea;EPS;34;;;;;;;;;;;-5.46;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;EYE-Cornea;EPS;34;;;;;;;;;;;-4.04;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;EYE-Cornea;EPS;34;;;;;;;;;;;-4.74;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EYE-Cornea;EPS;34;;;;;;;;;;;-4.51;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
"Triamcinolone Acetonide";MM00308;CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1;YNDXUCZADRHECN-UHFFFAOYSA-N;434.5;2.42;6436;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-4.8;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;EYE-Cornea;EPS;34;;;;;;;;;;;-3.82;;;;;;;;;;;;"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988.";"Grass G. M., Robinson J. R.: Mechanisms of corneal drug penetration I: In vivo and in vitro kinetics. J. Pharm. Sci. 77, 3–14, 1988."
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;EYE-Cornea;EPS;35;;;;;;;;;;;-6.07;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;EYE-Cornea;EPS;35;;;;;;;;;;;-6.17;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;MM01447;COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC;HXLAFSUPPDYFEO-UHFFFAOYSA-N;345.44;2.58;2372;DB01295;;314010;EYE-Cornea;EPS;35;;;;;;;;;;;-4.27;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;MM01448;CCc1cccc2cc(C(O)CNC(C)(C)C)oc12;SSEBTPPFLLCUMN-UHFFFAOYSA-N;261.37;3.42;71733;DB06726;;296035;EYE-Cornea;EPS;35;;;;;;;;;;;-4.14;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;MM01449;CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O;IXHBTMCLRNMKHZ-LBPRGKRZSA-N;291.39;2.33;39468;DB01210;;1201237;EYE-Cornea;EPS;35;;;;;;;;;;;-4.82;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;EYE-Cornea;EPS;35;;;;;;;;;;;-4.62;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;EYE-Cornea;EPS;35;;;;;;;;;;;-5.8;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;EYE-Cornea;EPS;35;;;;;;;;;;;-4.55;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;MM00535;CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1;KQXKVJAGOJTNJS-HNNXBMFYSA-N;291.44;3.47;37464;DB01359;;CHEMBL1290;EYE-Cornea;EPS;35;;;;;;;;;;;-4.22;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EYE-Cornea;EPS;35;;;;;;;;;;;-4.24;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;EYE-Cornea;EPS;35;;;;;;;;;;;-6;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;EYE-Cornea;EPS;35;;;;;;;;;;;-4.92;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;EYE-Cornea;EUC;35;;;;;;;;;;;-5.96;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;EYE-Cornea;EUC;35;;;;;;;;;;;-4.54;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;EYE-Cornea;EUC;35;;;;;;;;;;;-5.96;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;EYE-Cornea;EUC;35;;;;;;;;;;;-4.57;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;EYE-Cornea;EUC;35;;;;;;;;;;;-4.85;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;MM01449;CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O;IXHBTMCLRNMKHZ-LBPRGKRZSA-N;291.39;2.33;39468;DB01210;;1201237;EYE-Cornea;EUC;35;;;;;;;;;;;-4.64;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;EYE-Cornea;EUC;35;;;;;;;;;;;-4.55;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;EYE-Cornea;EUC;35;;;;;;;;;;;-5.85;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;EYE-Cornea;EUC;35;;;;;;;;;;;-4.49;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;EYE-Cornea;EUC;35;;;;;;;;;;;-5;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EYE-Cornea;EUC;35;;;;;;;;;;;-4.47;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;EYE-Cornea;EUC;35;;;;;;;;;;;-6.15;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;EYE-Cornea;EUC;35;;;;;;;;;;;-4.92;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide;MM01450;NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1;PWDGTQXZLNDOKS-UHFFFAOYSA-N;320.38;-0.01;18794;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-6.85;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
Bromacetazolamide;MM01442;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-6.38;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
6-ethoxy-1,3-benzothiazole-2-sulfonamide;MM01451;CCOc1ccc2nc(S(N)(=O)=O)sc2c1;OUZWUKMCLIBBOG-UHFFFAOYSA-N;258.32;1.34;3295;DB00311;;18;EYE-Cornea;EPS;35;;;;;;;;;;;-4.25;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;MM01443;CC(=O)N=c1sc(S(N)(=O)=O)nn1C;FLOSMHQXBMRNHR-UHFFFAOYSA-N;236.28;-1.42;4100;DB00703;;19;EYE-Cornea;EPS;35;;;;;;;;;;;-5.59;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.52;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.4;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;EYE-Cornea;EPS;35;;;;;;;;;;;-5.3;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
"Dexamethazone Acetate";MM01452;CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C;AKUJBENLRBOFTD-RPRRAYFGSA-N;434.5;2.47;236702;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.43;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Fluorometholone;MM01453;CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C;FAOZLTXFLGPHNG-UHFFFAOYSA-N;376.47;2.92;9878;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.77;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;EYE-Cornea;EPS;35;;;;;;;;;;;-5.07;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;EYE-Cornea;EPS;35;;;;;;;;;;;-5.43;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
"Prednisolone Acetate";MM01454;CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;LRJOMUJRLNCICJ-JZYPGELDSA-N;402.49;2.13;5834;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.48;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;EYE-Cornea;EPS;35;;;;;;;;;;;-4.7;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;EYE-Cornea;EPS;35;;;;;;;;;;;-4.38;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
"Triamcinolone Acetonide";MM00308;CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1;YNDXUCZADRHECN-UHFFFAOYSA-N;434.5;2.42;6436;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.92;;;;;;;;;;;;"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978.";"Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978."
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;MM00928;O=P1(N(CCCl)CCCl)NCCCO1;CMSMOCZEIVJLDB-UHFFFAOYSA-N;261.09;1.88;2907;DB00531;;CHEMBL88;EYE-Cornea;EPS;35;;;;;;;;;;;-4.96;;;;;;;;;;;;"Schoenwald, R. D.,  Houseman, J. A.: Disposition of cyclophosphamide in the rabbit and human cornea. Biopharm. Drug Dispos., 3, 231–241, 1982.";"Schoenwald, R. D.,  Houseman, J. A.: Disposition of cyclophosphamide in the rabbit and human cornea. Biopharm. Drug Dispos., 3, 231–241, 1982."
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;MM00541;CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C;QCHFTSOMWOSFHM-WPRPVWTQSA-N;208.26;1.16;5910;DB01085;9PL;CHEMBL550;EYE-Cornea;EPS;37;;;;;;;;;;;-5.55;;;;;;;;;;;;"Suhonen P., Jarvinen T., Peura P.,  Urtti A.: Permeability of pilocarpic acid diesters across albino rabbit cornea in vitro. Int. J. Pharm., 74, 221–228,1991.";"Suhonen P., Jarvinen T., Peura P.,  Urtti A.: Permeability of pilocarpic acid diesters across albino rabbit cornea in vitro. Int. J. Pharm., 74, 221–228,1991."
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;EYE-Cornea;EUC;35;;;;;;;;;;;-5.57;;;;;;;;;;;;"Musson, D. G., Bidgood, A. M., Olejnik O.: An In Vitro Comparison of the Permeability of Prednisolone, Prednisolone Sodium Phosphate, and Prednisolone Acetate Across the NZW Rabbit Cornea. J. Ocul. Pharmacol. Ther., 8, 139–150, 1992.";"Musson, D. G., Bidgood, A. M., Olejnik O.: An In Vitro Comparison of the Permeability of Prednisolone, Prednisolone Sodium Phosphate, and Prednisolone Acetate Across the NZW Rabbit Cornea. J. Ocul. Pharmacol. Ther., 8, 139–150, 1992."
6-Sulfonamido-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01455;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.1;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-3-chloro-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01456;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.89;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-4-chloro-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01457;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.42;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-3-methoxy-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01458;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.35;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-4-methoxy-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01459;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.28;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-4-hydroxy-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01460;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-6.46;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-3-fluoro-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01461;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.19;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-4-fluoro-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01462;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.39;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
6-Sulfonamido-4-dimethylamino-3H-1,3,4-thiadiazolo[2,3C]-1,2,4-thiadiazole;MM01463;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.24;;;;;;;;;;;;"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993.";"Wu, N.-C., Chiang C.-H., Lee A.-R. Studies of Carbonic Anhydrase Inhibitors: Physicochemical Properties and Bioactivities of New Thiadiazole Derivatives. J. Ocul. Pharmacol. Ther., 9, 97–108,1993."
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide;MM01464;CC(=O)Nc1nnc(S(N)(=O)=O)s1;BZKPWHYZMXOIDC-UHFFFAOYSA-N;222.25;-0.86;1986;;;CHEMBL20;EYE-Cornea;EPS;35;0;;;;;;;;;;-5.89;;;;;;;;;;;;"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986.";"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986."
N-methylacetazolamide;MM01465;COc1ccc2c(OC3CC4C(=O)CC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(Cc5cc(C)cc(C(F)(F)F)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C;LZXBFJFWIACXLO-UHFFFAOYSA-N;935.14;9.82;76715642;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.64;;;;;;;;;;;;"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986.";"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986."
4-chloro-N-methylbenzenesulfonamide;MM01466;CNS(=O)(=O)c1ccc(Cl)cc1;PJHYEBDREIJPKX-UHFFFAOYSA-N;205.67;1.25;232992;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.19;;;;;;;;;;;;"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986.";"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986."
4-chlorobenzenesulfonamide;MM01467;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.26;;;;;;;;;;;;"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986.";"Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986."
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide;MM01464;CC(=O)Nc1nnc(S(N)(=O)=O)s1;BZKPWHYZMXOIDC-UHFFFAOYSA-N;222.25;-0.86;1986;;;CHEMBL20;EYE-Cornea;EPS;34;0;;;;;;;;;;-6.29;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide;MM01468;NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1;PMNNJWNEWDGYIV-UHFFFAOYSA-N;284.32;0.44;394898;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-6.22;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
"2-isopentenyl Amino 1,3,4-thiadiazole-5-sulfonamide";MM01469;CC(C)=CCN(N)S(=O)(=O)c1nncs1;NCRZQYDQIVNRCF-UHFFFAOYSA-N;248.33;0.37;129776072;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-6.25;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide;MM01450;NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1;PWDGTQXZLNDOKS-UHFFFAOYSA-N;320.38;-0.01;18794;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-6.85;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
Bromacetazolamide;MM01442;;;;;;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-6.4;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
Chlorzolamide;MM01470;;;;;;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-4.74;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
6-ethoxy-1,3-benzothiazole-2-sulfonamide;MM01451;CCOc1ccc2nc(S(N)(=O)=O)sc2c1;OUZWUKMCLIBBOG-UHFFFAOYSA-N;258.32;1.34;3295;DB00311;;18;EYE-Cornea;EPS;34;;;;;;;;;;;-4.25;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;MM01443;CC(=O)N=c1sc(S(N)(=O)=O)nn1C;FLOSMHQXBMRNHR-UHFFFAOYSA-N;236.28;-1.42;4100;DB00703;;19;EYE-Cornea;EPS;34;;;;;;;;;;;-5.59;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
5-Imino-4-methyl-1,3,4-thiadiazole-2-sulfonamide;MM01471;Cn1nc(S(N)(=O)=O)sc1=N;BWSMJWLWXNCHHP-UHFFFAOYSA-N;194.24;-1.39;5172475;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-6.11;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
Trichlormethazolamide;MM01444;;;;;;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-4.96;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
Trifluormethazolamide;MM01472;;;;;;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-5.41;;;;;;;;;;;;"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983.";"Maren T. H., Jankowska L., Sanyal G., Edelhauser H. F. The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp. Eye Res., 36, 457–479, 1983."
5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide;MM01450;NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1;PWDGTQXZLNDOKS-UHFFFAOYSA-N;320.38;-0.01;18794;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-6.48;;;;;;;;;;;;"Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992.";"Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992."
MK-927;MM01473;CC(C)CNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21;JFLUCCKXAYBETQ-UHFFFAOYSA-N;338.48;0.86;122147;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-5.34;;;;;;;;;;;;"Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992.";"Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992."
Trichlormethazolamide;MM01444;;;;;;;;;EYE-Cornea;EPS;34;;;;;;;;;;;-5.19;;;;;;;;;;;;"Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992.";"Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992."
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;EYE-Cornea;EPS;35;;;;;;;;;;;-4.96;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
2-deoxyglucose;MM01475;O=CC[C@@H](O)[C@H](O)[C@H](O)CO;VRYALKFFQXWPIH-PBXRRBTRSA-N;164.16;-2.35;108223;;;ChEMBL2074932;EYE-Cornea;EPS;35;;;;;;;;;;;-5.13;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
1-α-cyclopropyl-2-deoxyglucose;MM01476;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.66;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
1-α-isopropyl-2-deoxyglucose;MM01477;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.54;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
1-α-methyl-2-deoxyglucose;MM01478;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.74;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
1-α-ethyl-2-deoxyglucose;MM01479;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.34;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;EYE-Cornea;EPS;35;;;;;;;;;;;-4.66;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;MM01443;CC(=O)N=c1sc(S(N)(=O)=O)nn1C;FLOSMHQXBMRNHR-UHFFFAOYSA-N;236.28;-1.42;4100;DB00703;;19;EYE-Cornea;EPS;35;;;;;;;;;;;-5.38;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
"Nadolol Diacetate";MM01480;CC(=O)OC1Cc2cccc(OCC(O)CNC(C)(C)C)c2CC1OC(C)=O;RMEPOLDBANNDKX-UHFFFAOYSA-N;393.48;1.78;134824;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.32;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
2-benzimidazolesulfonamide;MM01481;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.52;;;;;;;;;;;;"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990.";"Schoenwald R. D.: Ocular Drug Delivery. Pharmacokinetic considerations. Clin. Pharmacokinet., 18, 255–269, 1990."
6-ethoxy-1,3-benzothiazole-2-sulfonamide;MM01451;CCOc1ccc2nc(S(N)(=O)=O)sc2c1;OUZWUKMCLIBBOG-UHFFFAOYSA-N;258.32;1.34;3295;DB00311;;18;EYE-Cornea;EPS;35;;;;;;;;;;;-4.36;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-hydroxy-1,3-benzothiazole-2-sulfonamide;MM01482;NS(=O)(=O)c1nc2ccc(O)cc2s1;NOOBQTYVTDBXTL-UHFFFAOYSA-N;230.27;0.65;6852129;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.25;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-chloro-1,3-benzothiazole-2-sulfonamide;MM01483;NS(=O)(=O)c1nc2ccc(Cl)cc2s1;MTRQAFDRNFNIHE-UHFFFAOYSA-N;248.72;1.6;14327412;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.37;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
4,6-dichloro-1,3-benzothiazole-2-sulfonamide;MM01484;NS(=O)(=O)c1nc2c(Cl)cc(Cl)cc2s1;UMVNRHPGYZWJTE-UHFFFAOYSA-N;283.16;2.25;23274194;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.41;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-amino-1,3-benzothiazole-2-sulfonamide;MM01485;Nc1ccc2nc(S(N)(=O)=O)sc2c1;OFSGGVHHSMAUEI-UHFFFAOYSA-N;229.29;0.53;93505;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.17;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-nitro-1,3-benzothiazole-2-sulfonamide;MM01486;NS(=O)(=O)c1nc2ccc([N+](=O)[O-])cc2s1;VDPWQQORTOWPSP-UHFFFAOYSA-N;259.27;0.85;13393427;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.18;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-(2-Hydroxyethoxy)-1,3-benzothiazole-2-sulfonamide;MM01487;NS(=O)(=O)c1nc2ccc(OCCO)cc2s1;XIFUCWWEBDMYEV-UHFFFAOYSA-N;274.32;0.31;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.82;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-benzyloxy-1,3-benzothiazole-2-sulfonamide;MM01488;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-5.33;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
6-acetamino-1,3-benzothiazole-2-sulfonamide;MM01489;;;;;;;;;EYE-Cornea;EPS;35;;;;;;;;;;;-4.33;;;;;;;;;;;;"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985.";"Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985."
"Methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate";MM01490;COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C;ZPUCINDJVBIVPJ-UHFFFAOYSA-N;303.36;1.87;446220;DB00907;;;EYE-Cornea;ESSM;35;;;;;;;;;;;-5.21;;;;;;;;;;;;"Igarashi H., Sato Y., Hamada S., Kawasaki, T. Studies on rabbit corneal permeability of local anesthetics (I). Jpn. J. Pharmacol., 34, 429–434,1984.";"Igarashi H., Sato Y., Hamada S., Kawasaki, T. Studies on rabbit corneal permeability of local anesthetics (I). Jpn. J. Pharmacol., 34, 429–434,1984."
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;EYE-Cornea;ESSM;35;;;;;;;;;;;-5.38;;;;;;;;;;;;"Igarashi H., Sato Y., Hamada S., Kawasaki, T. Studies on rabbit corneal permeability of local anesthetics (I). Jpn. J. Pharmacol., 34, 429–434,1984.";"Igarashi H., Sato Y., Hamada S., Kawasaki, T. Studies on rabbit corneal permeability of local anesthetics (I). Jpn. J. Pharmacol., 34, 429–434,1984."
Tetracaine;MM00205;CCCCNc1ccc(C(=O)OCCN(C)C)cc1;GKCBAIGFKIBETG-UHFFFAOYSA-N;264.37;2.62;5411;DB09085;TE4;CHEMBL698;EYE-Cornea;ESSM;35;;;;;;;;;;;-5.82;;;;;;;;;;;;"Igarashi H., Sato Y., Hamada S., Kawasaki, T. Studies on rabbit corneal permeability of local anesthetics (I). Jpn. J. Pharmacol., 34, 429–434,1984.";"Igarashi H., Sato Y., Hamada S., Kawasaki, T. Studies on rabbit corneal permeability of local anesthetics (I). Jpn. J. Pharmacol., 34, 429–434,1984."
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;EYE-Cornea;EPS;35;;;;;;;;;;;-4.36;;;;;;;;;;;;"Chiang C.-H., Schoenwald R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. J. Pharmacokinet. Biopharm., 14, 175–211, 1986.";"Chiang C.-H., Schoenwald R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. J. Pharmacokinet. Biopharm., 14, 175–211, 1986."
MemBrightC3.5;MM01405;;;1439.12;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;600;;615;;;;;;"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019.";"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019."
MemBrightC3;MM01406;;;1339;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;555;;570;;;;;;"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019.";"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019."
MemBrightC5.5;MM01407;;;1491.19;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;700;;720;;;;;;"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019.";"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019."
MemBrightC5;MM01408;;;1391.07;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;660;;680;;;;;;"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019.";"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019."
MemBrightC7.5;MM01409;;;1527.22;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;815;;830;;;;;;"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019.";"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019."
MemBrightC7;MM01410;;;1427.11;;;;;;DOPC;ECFM;25;;;;;;;;;;;;;;;765;;790;;;;;;"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019.";"Collot M., Ashokkumar P.,  Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019."
"Human Serum Albumin";MM01491;;;;;;;1BM0;;"EYE-Sclera ";EPS;37;;;;;;;;;;;-6.89;;;;;;;;;;;;"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977.";"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977."
"Human Hemoglobin";MM01492;;;;;;DB04945;;;"EYE-Sclera ";EPS;37;;;;;;;;;;;-6.44;;;;;;;;;;;;"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977.";"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;"EYE-Sclera ";EPS;37;;;;;;;;;;;-5.19;;;;;;;;;;;;"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977.";"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977."
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;"EYE-Sclera ";EPS;37;;;;;;;;;;;-5.72;;;;;;;;;;;;"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977.";"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977."
"Penicillin G";MM01494;CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O;JGSARLDLIJGVTE-UHFFFAOYSA-N;334.4;0.86;5904;" DB01053";;CHEMBL29;"EYE-Sclera ";EPS;37;;;;;;;;;;;-5.18;;;;;;;;;;;;"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977.";"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977."
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;MM00541;CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C;QCHFTSOMWOSFHM-WPRPVWTQSA-N;208.26;1.16;5910;DB01085;9PL;CHEMBL550;"EYE-Sclera ";EPS;37;;;;;;;;;;;-4.89;;;;;;;;;;;;"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977.";"Maurice D.,  Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977."
5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide;MM01450;NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1;PWDGTQXZLNDOKS-UHFFFAOYSA-N;320.38;-0.01;18794;;;;"EYE-Sclera ";EPS;37;;;;;;;;;;;-4.7;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
Bromacetazolamide;MM01442;;;;;;;;;"EYE-Sclera ";EPS;37;;;;;;;;;;;-4.7;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
6-ethoxy-1,3-benzothiazole-2-sulfonamide;MM01451;CCOc1ccc2nc(S(N)(=O)=O)sc2c1;OUZWUKMCLIBBOG-UHFFFAOYSA-N;258.32;1.34;3295;DB00311;;18;"EYE-Sclera ";EPS;37;;;;;;;;;;;-4.42;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;MM01443;CC(=O)N=c1sc(S(N)(=O)=O)nn1C;FLOSMHQXBMRNHR-UHFFFAOYSA-N;236.28;-1.42;4100;DB00703;;19;"EYE-Sclera ";EPS;37;;;;;;;;;;;-4.52;;;;;;;;;;;;"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988.";"Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988."
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.3;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.62;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.28;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.38;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.22;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;MM01449;CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O;IXHBTMCLRNMKHZ-LBPRGKRZSA-N;291.39;2.33;39468;DB01210;;1201237;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.29;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.21;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.28;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-5.05;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.82;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.7;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.17;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;EYE-Conjunctiva;EUC;34;;;;;;;;;;;-4.28;;;;;;;;;;;;"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991.";"Wang W., Sasaki H., Chien D.-S.,  Lee, V. H. L.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: A comparison with corneal penetration. Curr. Eye Res. 10, 571–579, 1991."
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;"EYE-Sclera ";EFDC;33;;;;;;;;;;;-5.6;;;;;;;;;;;;"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987.";"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987."
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;"EYE-Sclera ";EFDC;33;;;;;;;;;;;-4.41;;;;;;;;;;;;"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987.";"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987."
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;MM00535;CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1;KQXKVJAGOJTNJS-HNNXBMFYSA-N;291.44;3.47;37464;DB01359;;CHEMBL1290;"EYE-Sclera ";EFDC;33;;;;;;;;;;;-4.15;;;;;;;;;;;;"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987.";"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;"EYE-Sclera ";EFDC;33;;;;;;;;;;;-4.24;;;;;;;;;;;;"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987.";"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987."
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;"EYE-Sclera ";EFDC;33;;;;;;;;;;;-4.38;;;;;;;;;;;;"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987.";"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987."
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;"EYE-Sclera ";EFDC;33;;;;;;;;;;;-4.39;;;;;;;;;;;;"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987.";"Ahmed I., Gokhale R. D., Shah M. V.,  Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987."
5-Fluorouracil;MM00829;O=c1[nH]cc(F)c(=O)[nH]1;GHASVSINZRGABV-UHFFFAOYSA-N;130.08;-0.8;3385;DB00544;URF;CHEMBL185;"EYE-Sclera ";EUC;37;;;;;;;;;;;-4.36;;;;;;;;;;;;"Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995.";"Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995."
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;"EYE-Sclera ";EUC;37;;;;;;;;;;;-5.05;;;;;;;;;;;;"Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995.";"Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995."
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;"EYE-Sclera ";EUC;37;;;;;;;;;;;-4.66;;;;;;;;;;;;"Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995.";"Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995."
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;EYE-Cornea;EFDC;37;;;;;;;;;;;-4.16;;;;;;;;;;;;"Muchtar S., Abdulrazik M., Frucht-Pery J.,  Benita S.: Ex-vivo permeation study of indomethacin from a submicron emulsion through albino rabbit cornea. J. Control. Release, 44, 55–64, 1997.";"Muchtar S., Abdulrazik M., Frucht-Pery J.,  Benita S.: Ex-vivo permeation study of indomethacin from a submicron emulsion through albino rabbit cornea. J. Control. Release, 44, 55–64, 1997."
"2-(Chloromethyl)benzoic Acid";MM01496;O=C(O)c1ccccc1CCl;YTEUDCIEJDRJTM-UHFFFAOYSA-N;170.6;2.12;296106;;;;PL-A;EPAMOL;25;;;;;;;;;;;-4.41;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"3-Methylsalicylic Acid";MM01497;Cc1cccc(C(=O)O)c1O;WHSXTWFYRGOBGO-UHFFFAOYSA-N;152.15;1.4;6738;;;;PL-A;EPAMOL;25;;;;;;;;;;;-6.22;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;EYE-Stroma;EPS;35;;;;;;;;;;;-4.52;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;EYE-Stroma;EPS;35;;;;;;;;;;;-4.48;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;MM01447;COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC;HXLAFSUPPDYFEO-UHFFFAOYSA-N;345.44;2.58;2372;DB01295;;314010;EYE-Stroma;EPS;35;;;;;;;;;;;-4.47;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;MM01448;CCc1cccc2cc(C(O)CNC(C)(C)C)oc12;SSEBTPPFLLCUMN-UHFFFAOYSA-N;261.37;3.42;71733;DB06726;;296035;EYE-Stroma;EPS;35;;;;;;;;;;;-4.4;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;EYE-Stroma;EPS;35;;;;;;;;;;;-4.47;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;EYE-Stroma;EPS;35;;;;;;;;;;;-4.43;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;EYE-Stroma;EPS;35;;;;;;;;;;;-4.46;;;;;;;;;;;;"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983.";"Lach J. L., Huang H.-S., Schoenwald R. D.: Corneal Penetration Behavior of β-Blocking Agents II: Assessment of Barrier Contributions. J. Pharm. Sci. 72, 1272–1279,1983."
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;EYE-Endothelium;EPS;34;;;;;;;;;;;-5.89;;;;;;;;;;;;"Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968.";"Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968."
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;EYE-Endothelium;EPS;34;;;;;;;;;;;-5.19;;;;;;;;;;;;"Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968.";"Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968."
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;EYE-Endothelium;EPS;34;;;;;;;;;;;-3.77;;;;;;;;;;;;"Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968.";"Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968."
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;EYE-Endothelium;EPS;36;;;;;;;;;;;-5.08;;;;;;;;;;;;"Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977.";"Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977."
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;EYE-Endothelium;EPS;36;;;;;;;;;;;-5.25;;;;;;;;;;;;"Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977.";"Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977."
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;EYE-Endothelium;EPS;36;;;;;;;;;;;-4.74;;;;;;;;;;;;"Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977.";"Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977."
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;n-HEX;EPAMOL;25;;;;;;;;;;;-3.67;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;n-HEX;EPAMOL;25;;;;;;;;;;;-4.52;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;n-HEX;EPAMOL;25;;;;;;;;;;;-5.33;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;n-HEX;EPAMOL;25;;;;;;;;;;;0.93;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;n-HEX;EPAMOL;25;;;;;;;;;;;-1.01;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;n-HEX;EPAMOL;25;;;;;;;;;;;-3;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;n-HEX;EPAMOL;25;;;;;;;;;;;-3.07;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;n-HEX;EPAMOL;25;;;;;;;;;;;-0.61;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;n-HEX;EPAMOL;25;;;;;;;;;;;-5.41;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;n-HEX;EPAMOL;25;;;;;;;;;;;-3.08;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;n-HEX;EPAMOL;25;;;;;;;;;;;-2.54;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;n-HEX;EPAMOL;25;;;;;;;;;;;-3.04;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;n-HEX;EPAMOL;25;;;;;;;;;;;0.31;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;n-HEX;EPAMOL;25;;;;;;;;;;;-3.52;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;n-HEX;EPAMOL;25;;;;;;;;;;;-4.32;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;n-HEX;EPAMOL;25;;;;;;;;;;;-2.85;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;n-HEX;EPAMOL;25;;;;;;;;;;;-4.26;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;n-HEX;EPAMOL;25;;;;;;;;;;;-3.41;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Phenazopyridine;MM00540;Nc1ccc(N=Nc2ccccc2)c(N)n1;QPFYXYFORQJZEC-UHFFFAOYSA-N;213.24;2.66;4756;DB01438;;CHEMBL1242;n-HEX;EPAMOL;25;;;;;;;;;;;-3.24;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;n-HEX;EPAMOL;25;;;;;;;;;;;-2.56;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;n-HEX;EPAMOL;25;;;;;;;;;;;-4.48;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;n-HEX;EPAMOL;25;;;;;;;;;;;-4.52;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;n-HEX;EPAMOL;25;;;;;;;;;;;-1.62;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;n-HEX;EPAMOL;25;;;;;;;;;;;-3.26;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;MM00591;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;ZAFYATHCZYHLPB-UHFFFAOYSA-N;307.4;3.25;5732;DB00425;;CHEMBL911;n-HEX;EPAMOL;25;;;;;;;;;;;-4.08;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;n-HEX;EPAMOL;25;;;;;;;;;;;0.47;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;n-HEX;EPAMOL;25;;;;;;;;;;;-3.54;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"Rhodamine B";MM01359;CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1;CVAVMIODJQHEEH-UHFFFAOYSA-O;443.57;5.56;;;;;n-HEX;EPAMOL;25;;;;;;;;;;;-4.23;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;LEC;EPAMOL;25;;;;;;;;;;;-5.81;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;LEC;EPAMOL;25;;;;;;;;;;;-4.45;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;LEC;EPAMOL;25;;;;;;;;;;;1.31;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;LEC;EPAMOL;25;;;;;;;;;;;-0.71;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;LEC;EPAMOL;25;;;;;;;;;;;-3.54;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;LEC;EPAMOL;25;;;;;;;;;;;0.05;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;LEC;EPAMOL;25;;;;;;;;;;;-1.42;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"Rhodamine B";MM01359;CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1;CVAVMIODJQHEEH-UHFFFAOYSA-O;443.57;5.56;;;;;LEC;EPAMOL;25;;;;;;;;;;;-3.07;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;LEC;EPAMOL;25;;;;;;;;;;;-2.64;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;LEC;EPAMOL;25;;;;;;;;;;;-5.99;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;MM00591;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;ZAFYATHCZYHLPB-UHFFFAOYSA-N;307.4;3.25;5732;DB00425;;CHEMBL911;LEC;EPAMOL;25;;;;;;;;;;;-3.06;;;;;;;;;;;;"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006.";"Avdeef A.,  Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen bonding: In combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur. J. Pharm. Sci., 28, 43–50, 2006."
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;BML;EBAMP;30;;;;;;;;;;;-5.53;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;BML;EBAMP;30;;;;;;;;;;;-5.62;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
7-hydroxy-pyrazolo[4,3-d]pyrimidine;MM00081;O=c1ncnc2[nH][nH]cc1-2;OFCNXPDARWKPPY-UHFFFAOYSA-N;136.11;-0.4;2094;DB00437;7HP;CHEMBL1467;BML;EBAMP;30;;;;;;;;;;;-6.29;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;BML;EBAMP;30;;;;;;;;;;;-4.95;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;BML;EBAMP;30;;;;;;;;;;;-5.04;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BML;EBAMP;30;;;;;;;;;;;-6.25;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;BML;EBAMP;30;;;;;;;;;;;-6;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;BML;EBAMP;30;;;;;;;;;;;-4.92;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Ceftriaxone;MM01435;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1;VAAUVRVFOQPIGI-UHFFFAOYSA-N;554.59;-1.2;5479530;" DB01212";;161;BML;EBAMP;30;;;;;;;;;;;-7.52;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;BML;EBAMP;30;;;;;;;;;;;-7.15;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;BML;EBAMP;30;;;;;;;;;;;-4.66;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;BML;EBAMP;30;;;;;;;;;;;-6.51;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BML;EBAMP;30;;;;;;;;;;;-6.07;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;BML;EBAMP;30;;;;;;;;;;;-5.13;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Cloxacillin;MM01508;Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O;LQOLIRLGBULYKD-UHFFFAOYSA-N;435.89;2.55;6098;;;;BML;EBAMP;30;;;;;;;;;;;-5.72;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Cymarin;MM01509;COC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O;XQCGNURMLWFQJR-UHFFFAOYSA-N;548.67;2.43;441853;;;;BML;EBAMP;30;;;;;;;;;;;-5.38;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;BML;EBAMP;30;;;;;;;;;;;-4.47;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;BML;EBAMP;30;;;;;;;;;;;-4.27;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Dicloxacillin;MM01510;Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O;YFAGHNZHGGCZAX-UHFFFAOYSA-N;470.33;3.2;18381;;;;BML;EBAMP;30;;;;;;;;;;;-5.38;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Doxycycline;MM01272;CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21;SGKRLCUYIXIAHR-UHFFFAOYSA-N;444.44;-0.5;54671203;DB00254;;CHEMBL3559889;BML;EBAMP;30;;;;;;;;;;;-4.56;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Ethambutol;MM01512;CCC(CO)NCCNC(CC)CO;AEUTYOVWOVBAKS-UHFFFAOYSA-N;204.31;-0.29;14052;;;;BML;EBAMP;30;;;;;;;;;;;-6.28;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Ethionamide;MM01513;CCc1cc(C(N)=S)ccn1;AEOCXXJPGCBFJA-UHFFFAOYSA-N;166.25;1.28;;;;;BML;EBAMP;30;;;;;;;;;;;-4.9;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;MM01514;O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F;DJBNUMBKLMJRSA-UHFFFAOYSA-N;414.35;3.44;3356;;;;BML;EBAMP;30;;;;;;;;;;;-5.03;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
6-amino-5-fluoro-1H-pyrimidin-2-one;MM01515;Nc1[nH]c(=O)ncc1F;XRECTZIEBJDKEO-UHFFFAOYSA-N;129.09;-0.51;3366;;;;BML;EBAMP;30;;;;;;;;;;;-6.74;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;BML;EBAMP;30;;;;;;;;;;;-5.44;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;BML;EBAMP;30;;;;;;;;;;;-7;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;BML;EBAMP;30;;;;;;;;;;;-5.07;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
"N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic Acid";MM01516;O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O;GRUVVLWKPGIYEG-UHFFFAOYSA-N;388.42;1.57;37336;;;CHEMBL282254;BML;EBAMP;30;;;;;;;;;;;-6.57;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BML;EBAMP;30;;;;;;;;;;;-4.73;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BML;EBAMP;30;;;;;;;;;;;-4.38;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Pyridine-4-carbohydrazide;MM01518;NNC(=O)c1ccncc1;QRXWMOHMRWLFEY-UHFFFAOYSA-N;137.14;-0.31;3767;DB00951;;ChEMBL64;BML;EBAMP;30;;;;;;;;;;;-5.27;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;BML;EBAMP;30;;;;;;;;;;;-4.47;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Lansoprazole;MM00384;Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1;MJIHNNLFOKEZEW-UHFFFAOYSA-N;369.37;3.52;3883;DB00448;;CHEMBL480;BML;EBAMP;30;;;;;;;;;;;-5.47;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Lincomycin;MM00508;CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1;OJMMVQQUTAEWLP-KIDUDLJLSA-N;406.55;-0.86;3000540;DB01627;3QB;CHEMBL1447;BML;EBAMP;30;;;;;;;;;;;-5.63;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;BML;EBAMP;30;;;;;;;;;;;-4.51;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;BML;EBAMP;30;;;;;;;;;;;-5.25;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;BML;EBAMP;30;;;;;;;;;;;-6.1;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Naltrexone;MM01519;O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5;DQCKKXVULJGBQN-UHFFFAOYSA-N;341.41;1.53;5360515;;;;BML;EBAMP;30;;;;;;;;;;;-4.95;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;BML;EBAMP;30;;;;;;;;;;;-4.31;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BML;EBAMP;30;;;;;;;;;;;-5.27;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;BML;EBAMP;30;;;;;;;;;;;-6.6;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Oxacillin;MM01520;Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O;UWYHMGVUTGAWSP-UHFFFAOYSA-N;401.44;1.9;6196;;;;BML;EBAMP;30;;;;;;;;;;;-5.75;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Oxytetracycline;MM01521;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C12;OWFJMIVZYSDULZ-UHFFFAOYSA-N;460.44;-1.4;54675779;;;;BML;EBAMP;30;;;;;;;;;;;-5.26;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;BML;EBAMP;30;;;;;;;;;;;-5.02;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;BML;EBAMP;30;;;;;;;;;;;-6.02;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Pravastatin;MM01522;CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21;TUZYXOIXSAXUGO-UHFFFAOYSA-N;424.53;2.44;54687;;;CHEMBL1144;BML;EBAMP;30;;;;;;;;;;;-5.82;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;BML;EBAMP;30;;;;;;;;;;;-4.74;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
4-amino-N-[2-(diethylamino)ethyl]benzamide;MM01523;CCN(CC)CCNC(=O)c1ccc(N)cc1;REQCZEXYDRLIBE-UHFFFAOYSA-N;235.33;1.34;4913;;;;BML;EBAMP;30;;;;;;;;;;;-5.16;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BML;EBAMP;30;;;;;;;;;;;-4.86;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;BML;EBAMP;30;;;;;;;;;;;-4.98;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;BML;EBAMP;30;;;;;;;;;;;-5.79;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;BML;EBAMP;30;;;;;;;;;;;-6.52;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Sulindac;MM01524;CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1;MLKXDPUZXIRXEP-UHFFFAOYSA-N;356.42;4.37;1548887;;;CHEMBL15770;BML;EBAMP;30;;;;;;;;;;;-5.04;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;BML;EBAMP;30;;;;;;;;;;;-5.89;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;BML;EBAMP;30;;;;;;;;;;;-5.63;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Tetracycline;MM01277;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12;OFVLGDICTFRJMM-UHFFFAOYSA-N;444.44;-0.21;54675776;DB00759;;CHEMBL1440;BML;EBAMP;30;;;;;;;;;;;-5.33;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BML;EBAMP;30;;;;;;;;;;;-5.56;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;BML;EBAMP;30;;;;;;;;;;;-4.99;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;BML;EBAMP;30;;;;;;;;;;;-4.29;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
"Tranexamic Acid";MM01525;NCC1CCC(C(=O)O)CC1;GYDJEQRTZSCIOI-UHFFFAOYSA-N;157.21;0.84;5526;;;;BML;EBAMP;30;;;;;;;;;;;-6.66;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Valsartan;MM00311;CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C;ACWBQPMHZXGDFX-UHFFFAOYSA-N;435.53;4.16;60846;DB00177;;CHEMBL1069;BML;EBAMP;30;;;;;;;;;;;-5.68;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BML;EBAMP;30;;;;;;;;;;;-4.42;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;BML;EBAMP;30;;;;;;;;;;;-4.14;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;BML;EBAMP;30;;;;;;;;;;;-5.44;;;;;;;;;;;;"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002.";"Sugano K., Takata N., Machida M., Saitoh K.,  Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int. J. Pharm., 241, 241–251, 2002."
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;BML;EBAMP;30;;;;;;;;;;;-4.28;;;;;;;;;;;;"Sugano K., Nabuchi Y., Machida M.,  Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int. J. Pharm., 257, 245–251, 2003.";"Sugano K., Nabuchi Y., Machida M.,  Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int. J. Pharm., 257, 245–251, 2003."
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BML;EBAMP;30;;;;;;;;;;;-4.91;;;;;;;;;;;;"Sugano K., Nabuchi Y., Machida M.,  Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int. J. Pharm., 257, 245–251, 2003.";"Sugano K., Nabuchi Y., Machida M.,  Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int. J. Pharm., 257, 245–251, 2003."
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BML;EBAMP;30;;;;;;;;;;;-4.23;;;;;;;;;;;;"Sugano K., Nabuchi Y., Machida M.,  Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int. J. Pharm., 257, 245–251, 2003.";"Sugano K., Nabuchi Y., Machida M.,  Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int. J. Pharm., 257, 245–251, 2003."
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;GENER;ESSM;20;;;;;;;;;;;;;;;350;;490;;;;;;"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998";"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998"
Laurmen;MM01527;;;340.5;;;;;;GENER;ESSM;20;;;;;;;;;;;;;;;340;;420;;;;;;"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998";"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998"
Laurna;MM01528;;;326.47;;;;;;GENER;ESSM;20;;;;;;;;;;;;;;;340;;420;;;;;;"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998";"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998"
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;DPPC;ESSM;25;;;;;;;;;;;;;;;;;440;;;;;;"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998";"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998"
Laurisan;MM01529;;;409.65;;;;;;DPPC;ESSM;25;;;;;;;;;;;;;;;;;440;;;;;;"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998";"Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;JEJ;EUC;37;;;;;;;;;;;4.35;;;;;;;;;;;;"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988.";"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988."
L-Glucose;MM01530;;;;;;;;;JEJ;EUC;37;;;;;;;;;;;5.52;;;;;;;;;;;;"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988.";"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988."
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;JEJ;EUC;37;;;;;;;;;;;5.44;;;;;;;;;;;;"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988.";"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988."
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;JEJ;EUC;37;;;;;;;;;;;5.07;;;;;;;;;;;;"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988.";"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988."
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;JEJ;EUC;37;;;;;;;;;;;5.89;;;;;;;;;;;;"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988.";"Grass G. M., Sweetana S. A.: In Vitro Measurement of Gastrointestinal Tissue Permeability Using a New Diffusion Cell. Pharm Res, 5, 372–376, 1988."
"Trans-parinaric Acid";MM01531;CCC=CC=CC=CC=CCCCCCCCC(=O)O;IJTNSXPMYKJZPR-UHFFFAOYSA-N;276.42;5.44;5282838;;;;POPC;ETRFES;37;;;;;;;;;;;;;;;;;;;;;3.54;;"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019";"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019"
[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene;MM01325;"C(=C/C=C/c1ccccc1)\C=C\c1ccccc1";BOBLSBAZCVBABY-WPWUJOAOSA-N;232.33;4.97;5376733;;;;POPC;ETRFES;37;;;;;;;;;;;;;;;;;;;;;7.03;;"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019";"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019"
O-DPH-PC;MM01532;;;807.05;;;;;;POPC;ETRFES;37;;;;;;;;;;;;;;;;;;;;;5.87;;"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019";"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019"
TPA-SM;MM01533;;;723.02;;;;;;POPC;ETRFES;37;;;;;;;;;;;;;;;;;;;;;;;"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019";"Engberg O., Scheidt H.A., Nyholm T. K. M., Slotte J. P., Huster D.: Membrane Localization and Lipid Interactions of Common Lipid- Conjugated Fluorescence Probes. Langmuir, 35, 11902, 2019"
1-[6-(dimethylamino)naphthalen-2-yl]ethanone;MM01534;CC(=O)c1ccc2cc(N(C)C)ccc2c1;FUVQYVZTQJOEQT-UHFFFAOYSA-N;213.28;3.11;15333970;;;;DPPC;ESSM;20;;;;;;;;;;;;;;;;;521;;;;;;"Zeng, J.; Chong, P. L.-G.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of prodan, acdan, and laurdan. Biophys. J. 68, 567, 1995";"Zeng, J.; Chong, P. L.-G.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of prodan, acdan, and laurdan. Biophys. J. 68, 567, 1995"
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;MM01346;CCC(=O)c1ccc2cc(N(C)C)ccc2c1;MPPQGYCZBNURDG-UHFFFAOYSA-N;227.31;3.5;107729;;;;DPPC;ESSM;20;;;;;;;;;;;;;;;;;435;;;;;;"Zeng, J.; Chong, P. L.-G.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of prodan, acdan, and laurdan. Biophys. J. 68, 567, 1995";"Zeng, J.; Chong, P. L.-G.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of prodan, acdan, and laurdan. Biophys. J. 68, 567, 1995"
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one;MM01300;CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1;JHDGGIDITFLRJY-UHFFFAOYSA-N;353.55;7.01;104983;;;;DPPC;ESSM;20;;;;;;;;;;;;;;;;;444;;;;;;"Zeng, J.; Chong, P. L.-G.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of prodan, acdan, and laurdan. Biophys. J. 68, 567, 1995";"Zeng, J.; Chong, P. L.-G.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of prodan, acdan, and laurdan. Biophys. J. 68, 567, 1995"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;SL;EFDC;25;;;;;;;;;;;-4.97;0.15;;;;;;;;;;;"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019.";"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019."
"Fluorescein Isothiocyanate (FITC)-dextran 16.8 KDa (FD20)";MM01535;;;;;;;;;SL;EFDC;25;;;;;;;;;;;-8.2;1.08;;;;;;;;;;;"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019.";"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019."
"Fluorescein Isothiocyanate (FITC)-dextran 70 KDa (FD70)";MM01536;;;;;;;;;SL;EFDC;25;;;;;;;;;;;-9.82;0.45;;;;;;;;;;;"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019.";"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019."
"Bovine Serum Albumin (BSA)";MM01537;;;;;;;4F5S;;SL;EFDC;25;;;;;;;;;;;-7.66;0.13;;;;;;;;;;;"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019.";"Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int. J. Pharm., 572, 118711, 2019."
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.33068;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.28067;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.82974;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.41567;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.8962;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.53313;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.76195;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.53313;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.02549;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.20761;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.91721;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.65758;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.45717;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.39041;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.37675;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.266;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.08355;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.23508;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.23582;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.4168;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.11976;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;MM00466;CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1;YNNUSGIPVFPVBX-UHFFFAOYSA-N;343.9;5.1;26987;DB00283;;CHEMBL1626;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.2993;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.39469;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine;MM00469;CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1;QZUDBNBUXVUHMW-UHFFFAOYSA-N;326.83;3.72;2818;DB00363;;CHEMBL42;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.27409;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.38934;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.3536;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.36051;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine;MM00484;CN(C)CCC=C1c2ccccc2COc2ccccc21;ODQWQRRAPPTVAG-UHFFFAOYSA-N;279.38;3.96;667477;DB01142;D7V;CHEMBL101740;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.38616;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.34486;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.36452;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Fluparoxan;MM01538;;;;;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.4034;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Gly-Pro;MM00739;NCC(=O)N1CCCC1C(=O)O;KZNQNBZMBZJQJO-UHFFFAOYSA-N;172.18;-0.98;3013625;;;CHEMBL80548;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.50031;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;MM00502;OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZQDWXGKKHFNSQK-UHFFFAOYSA-N;374.91;3.06;3658;DB00557;;CHEMBL896;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.25104;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.3363;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;MM00379;Cc1cc(C(=O)NNCc2ccccc2)no1;XKFPYPQQHFEXRZ-UHFFFAOYSA-N;231.26;1.42;3759;DB01247;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.3363;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.42022;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.49214;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.25181;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Lansoprazole;MM00384;Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1;MJIHNNLFOKEZEW-UHFFFAOYSA-N;369.37;3.52;3883;DB00448;;CHEMBL480;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.31876;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.40121;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Minoxidil;MM00393;Nc1cc(N2CCCCC2)nc(N)[n+]1[O-];ZFMITUMMTDLWHR-UHFFFAOYSA-N;209.25;-0.13;4201;DB00350;MXD;CHEMBL802;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.49757;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.24949;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.48946;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.40894;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
(s)-3-(1-methylpyrrolidin-2-yl)pyridine;MM00529;CN1CCCC1c1cccnc1;SNICXCGAKADSCV-UHFFFAOYSA-N;162.24;1.85;89594;DB00184;NCT;CHEMBL3;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.22257;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole;MM00399;COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1;SUBDBMMJDZJVOS-UHFFFAOYSA-N;345.42;2.9;4594;DB00338;;CHEMBL1503;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.39362;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.36957;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Oxyprenolol;MM01539;;;;;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.36957;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole;MM00401;COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC;IQPSEEYGBUAQFF-UHFFFAOYSA-N;383.38;2.88;4679;DB00213;;CHEMBL1502;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.43415;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-amino-5-phenyl-1,3-oxazol-4-one;MM00402;NC1=NC(=O)C(c2ccccc2)O1;NRNCYVBFPDDJNE-UHFFFAOYSA-N;176.18;0.6;4723;DB01230;;CHEMBL1177;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.39903;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Pergolide;MM00538;CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21;YEHCICAEULNIGD-MZMPZRCHSA-N;314.5;4.27;47811;DB01186;;CHEMBL531;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.37366;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-phenylethylhydrazine;MM00404;NNCCc1ccccc1;RMUCZJUITONUFY-UHFFFAOYSA-N;136.2;0.69;3675;DB00780;;CHEMBL1089;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.24109;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.10018;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.40012;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one;MM00407;O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1;FSVJFNAIGNNGKK-UHFFFAOYSA-N;312.41;2.53;4891;DB01058;;CHEMBL976;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-3.9914;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.37161;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.39254;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.37986;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Pumafentrine;MM00554;CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21;CVDXFPBVOIERBH-JWQCQUIFSA-N;477.65;4.99;3052763;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.31876;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.40012;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.15304;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;MM00565;C#CCN(C)[C@H](C)Cc1ccccc1;MEZLKOACVSPNER-GFCCVEGCSA-N;187.29;2.18;26757;DB01037;;CHEMBL972;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.36653;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.61618;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.2668;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;MM00422;CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21;SEQDDYPDSLOBDC-UHFFFAOYSA-N;300.75;2.47;5391;DB00231;;CHEMBL967;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.2668;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.50585;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-(1,3-thiazol-4-yl)-1h-benzimidazole;MM00425;c1ccc2[nH]c(-c3cscn3)nc2c1;WJCNZQLZVWNLKY-UHFFFAOYSA-N;201.25;2.69;5430;DB00730;TMG;CHEMBL625;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.057;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.44733;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Tolafentrine;MM00574;COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1;FVZJIAUYFDQQKJ-DQEYMECFSA-N;505.64;4.45;65990;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.31336;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.2993;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.41908;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.25728;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.25649;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.33724;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.12726;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.13668;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.15552;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.05257;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-phenylchromen-4-one;MM00364;O=c1cc(-c2ccccc2)oc2ccccc12;VHBFFQKBGNRLFZ-UHFFFAOYSA-N;222.24;3.46;10680;DB07776;FLN;CHEMBL275638;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-3.86967;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.16431;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.21753;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.17783;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.1707;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.13966;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.18642;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.16494;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.1261;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.33348;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.63827;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.12148;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ritonavir;MM00419;CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1;NCDNCNXCDXHOMX-UHFFFAOYSA-N;720.96;5.91;392622;DB00503;RIT;CHEMBL163;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-4.1261;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.79588;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.54061;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefotaxime;MM01540;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1;GPRBEKHLDVQUJE-UHFFFAOYSA-N;455.47;-0.62;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.23732;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.20621;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cephalothin;MM01541;CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1;XIURVHNZVLADCM-UHFFFAOYSA-N;396.45;0.59;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.05899;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cephapirin;MM01542;;;;;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.19997;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.83268;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.91364;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.09909;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.37882;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.88273;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
"Lactic Acid";MM01543;CC(O)C(=O)O;JVTAAEKCZFNVCJ-UHFFFAOYSA-N;90.08;-0.55;612;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.60907;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.67985;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.52143;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.88941;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
"Penicillin V";MM01544;;;;;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.98297;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.64589;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefamandole;MM01545;Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1;OLVCFLKTBJRLHI-UHFFFAOYSA-N;462.51;-0.23;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.24413;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefoperazone;MM01546;CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O;GCFBRXLSHGKWDP-UHFFFAOYSA-N;645.68;-1.11;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.39147;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefoxitin;MM01547;COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21;WZOZEZRFJCJXNZ-UHFFFAOYSA-N;427.46;0.1;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.20971;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.78252;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.07417;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.19586;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;MM00522;O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21;KKZJGLLVHKMTCM-UHFFFAOYSA-N;444.49;-0.14;4212;DB01204;MIX;CHEMBL58;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.93554;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.86012;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.94692;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.59688;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.96658;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.43063;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.07366;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Bretylium;MM01548;;;;;;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.66959;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefaclor;MM00717;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1;QYIYFLOTGYLRGG-UHFFFAOYSA-N;367.81;0.62;51039;DB00833;;CHEMBL680;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.07366;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefadroxil;MM00718;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1;BOEGTKLJZSQCCD-UHFFFAOYSA-N;363.4;0.15;47965;DB01140;;CHEMBL1644;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.07109;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefatrizine;MM00719;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CSC12)c1ccc(O)cc1;UOCJDOLVGGIYIQ-PBFPGSCMSA-N;462.51;0.04;6410758;;;CHEMBL1095284;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.18376;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefazolin;MM01549;Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1;MLYYVTUWGNIJIB-UHFFFAOYSA-N;454.52;-0.64;;;;CHEMBL172840;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.23657;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cefsulodin;MM00720;NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3SC2)cc1;SYLKGLMBLAAGSC-UHFFFAOYSA-O;533.56;-0.56;656575;;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.30627;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ceftazidime;MM01270;CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O;ORFOPKXBNMVMKC-UHFFFAOYSA-N;546.59;-1.3;5481173;DB00438;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.31785;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Ceftriaxone;MM01435;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1;VAAUVRVFOQPIGI-UHFFFAOYSA-N;554.59;-1.2;5479530;" DB01212";;161;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.42251;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.04769;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cephaloglycin;MM00722;CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1;FUBBGQLTSCSAON-PBFPGSCMSA-N;405.43;-0.01;19150;DB00689;;CHEMBL1200971;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.11862;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cephaloridine;MM00638;O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12;CZTQZXZIADLWOZ-UHFFFAOYSA-O;416.5;1.02;5773;DB09008;;CHEMBL316157;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.04769;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cephradine;MM00723;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1;RDLPVSKMFDYCOR-UHFFFAOYSA-N;349.41;0.35;38103;DB01333;;CHEMBL1604;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.01773;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.08249;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.65758;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.70774;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.5544;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.06098;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.96658;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Loracarbef;MM01552;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CCC12)c1ccccc1;JAPHQRWPEGVNBT-UHFFFAOYSA-N;349.77;0.71;5284585;;;CHEMBL1013;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.0511;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.3536;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.0278;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.21042;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.64589;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-5.77211;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.28067;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;Caco2/MDCK;CPapp;37;0;;;;;;;;;;-6.29158;;;;;;;;;;;;"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319";"Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319"
Boc-Trp;MM01089;CC(C)(C)OC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)O;WXYGVKADAIJGHB-UHFFFAOYSA-N;304.35;2.69;44424848;;;;CACO;CVOLSURF;25;-1;;;;;;;;;;-5.81;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cbz-Trp;MM01090;O=C(NC(Cc1cc2ccccc2[nH]1)C(=O)O)OCc1ccccc1;DZJWNXSZBKGYKP-UHFFFAOYSA-N;338.36;3.09;44424857;;;;CACO;CVOLSURF;25;-1;;;;;;;;;;-5.67;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Fmoc-Trp;MM01091;O=C(NC(Cc1cc2ccccc2[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21;KUROROGTRLAIQQ-UHFFFAOYSA-N;426.47;4.7;44424858;;;;CACO;CVOLSURF;25;-1;;;;;;;;;;-4.96;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
L-Tryptophanamide;MM01079;NC(=O)C(N)Cc1c[nH]c2ccccc12;JLSKPBDKNIXMBS-UHFFFAOYSA-N;203.25;0.52;439356;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.88;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
(2S)-2-acetamido-3-(1H-indol-3-yl)propanamide;MM01076;CC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;HNGIZKAMDMBRKJ-UHFFFAOYSA-N;245.28;0.7;94230;;;;CACO;CVOLSURF;25;-1;;;;;;;;;;-5.71;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Gly-Trp-NH2;MM01081;NCC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;YZMFLZVJQTUTKK-UHFFFAOYSA-N;260.3;-0.36;3081965;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-6.56;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Phe-Trp-NH2;MM01083;NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1;GVIJYQOEFGLWKI-UHFFFAOYSA-N;350.42;1.25;7020143;;;;CACO;CVOLSURF;25;1;;;;;;;;;;-5.76;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Trp-Ala-Val-NH2;MM01092;CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C(N)=O)C(C)C;FSIVAWBKYORDEB-UHFFFAOYSA-N;373.46;0.17;44424859;;;;CACO;CVOLSURF;25;1;;;;;;;;;;-6.44;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-Trp-Val-NH2;MM01093;CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C;ZFFQYIRICYOHAN-UHFFFAOYSA-N;344.42;0.84;44424860;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-6.02;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-D-Trp-Val-NH2;MM01094;CC(C)[C@@H](C(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C;ZFFQYIRICYOHAN-UHFFFAOYSA-N;344.42;0.84;44424861;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.91;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-Tyr-Leu-NH2;MM01088;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(N)=O;WGDDMZFVKNOORS-UHFFFAOYSA-N;335.4;0.46;14562813;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-6.05;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-Tyr-Phe-NH2;MM01086;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O;QJOFRQKWYZAXIZ-UHFFFAOYSA-N;369.42;0.65;11068626;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-6.17;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cyclo(-Gly-Trp);MM01082;O=C1CNC(=O)C(Cc2c[nH]c3ccccc23)N1;IFQZEERDQXQTLJ-UHFFFAOYSA-N;243.27;0.33;6997508;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.92;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cyclo(-Trp-Tyr);MM01087;O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1;ZJDMXAAEAVGGSK-ROUUACIJSA-N;349.39;1.64;;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.74;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cyclo(-Trp-Trp);MM01084;O=C1NC(Cc2c[nH]c3ccccc23)C(=O)NC1Cc1c[nH]c2ccccc12;DNHODRZUCGXYKU-UHFFFAOYSA-N;372.43;2.42;7091706;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.25;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
1H-indole;MM01048;c1ccc2[nH]ccc2c1;SIKJAQJRHWYJAI-UHFFFAOYSA-N;117.15;2.17;798;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-4.26;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
2-(1H-indol-3-yl)ethanol;MM01064;OCCc1c[nH]c2ccccc12;MBBOMCVGYCRMEA-UHFFFAOYSA-N;161.2;1.7;10685;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-4.8;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;CACO;CVOLSURF;25;1;;;;;;;;;;-5.68;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Indole-3-acetamide;MM11340;NC(=O)Cc1c[nH]c2ccccc12;ZOAMBXDOGPRZLP-UHFFFAOYSA-N;174.2;1.2;397;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.34;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"Indole-3-carboxylic Acid";MM01072;O=C(O)c1c[nH]c2ccccc12;KMAKOBLIOCQGJP-UHFFFAOYSA-N;161.16;1.87;69867;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-5.63;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"Indole-3-acetic Acid";MM01049;O=C(O)Cc1c[nH]c2ccccc12;SEOVTRFCIGRIMH-UHFFFAOYSA-N;175.19;1.8;802;;;;CACO;CVOLSURF;25;-1;;;;;;;;;;-5.8;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"3-Indolepropionic Acid";MM01051;O=C(O)CCc1c[nH]c2ccccc12;GOLXRNDWAUTYKT-UHFFFAOYSA-N;189.21;2.19;3744;;;;CACO;CVOLSURF;25;-1;;;;;;;;;;-5.57;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;CACO;CVOLSURF;25;1;;;;;;;;;;-5.83;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;CACO;CVOLSURF;25;0;;;;;;;;;;-5.95;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;CVOLSURF;25;0;;;;;;;;;;-4.83;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;CVOLSURF;25;0;;;;;;;;;;-5.14;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;CVOLSURF;25;0;;;;;;;;;;-5.73;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;CACO;CVOLSURF;25;0;;;;;;;;;;-5.72;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;CACO;CVOLSURF;25;1;;;;;;;;;;-5.01;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;CACO;CVOLSURF;25;0;;;;;;;;;;-4.95;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;CACO;CVOLSURF;25;0;;;;;;;;;;-4.71;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;CVOLSURF;25;0;;;;;;;;;;-5.16;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Dilthiazem;MM01511;;;;;;;;;CACO;CVOLSURF;25;0;;;;;;;;;;-4.64;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;CVOLSURF;25;1;;;;;;;;;;-6.65;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;CVOLSURF;25;0;;;;;;;;;;-6.59;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;CVOLSURF;25;0;;;;;;;;;;-5.27;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;CACO;CVOLSURF;25;-1;;;;;;;;;;-4.68;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;CVOLSURF;25;-1;;;;;;;;;;-5.07;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;CACO;CVOLSURF;25;1;;;;;;;;;;-5.31;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;CVOLSURF;25;0;;;;;;;;;;-5.44;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;CVOLSURF;25;0;;;;;;;;;;-6.26;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;CVOLSURF;25;0;;;;;;;;;;-4.78;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;CVOLSURF;25;0;;;;;;;;;;-4.66;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;CACO;CVOLSURF;25;1;;;;;;;;;;-6.31;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;CVOLSURF;25;-1;;;;;;;;;;-4.66;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;CVOLSURF;25;0;;;;;;;;;;-4.6;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;CACO;CVOLSURF;25;0;;;;;;;;;;-4.44;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;CVOLSURF;25;1;;;;;;;;;;-4.61;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;CACO;CVOLSURF;25;0;;;;;;;;;;-4.57;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;CACO;CVOLSURF;25;-1;;;;;;;;;;-4.45;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;MM00543;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1;RMHMFHUVIITRHF-UHFFFAOYSA-N;351.41;1.56;4848;DB00670;;CHEMBL9967;CACO;CVOLSURF;25;1;;;;;;;;;;-6.36;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732";"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;BML;EBAMP;30;1;;;;;;;;;;-5.43;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;BML;EBAMP;30;0;;;;;;;;;;-7.05;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;BML;EBAMP;30;0;;;;;;;;;;-6.17;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BML;EBAMP;30;1;;;;;;;;;;-6.06;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Ceftriaxone;MM01435;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1;VAAUVRVFOQPIGI-UHFFFAOYSA-N;554.59;-1.2;5479530;" DB01212";;161;BML;EBAMP;30;-1;;;;;;;;;;-6.77;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;BML;EBAMP;30;-1;;;;;;;;;;-7.4;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;BML;EBAMP;30;0;;;;;;;;;;-6.68;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Doxycycline;MM01272;CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21;SGKRLCUYIXIAHR-UHFFFAOYSA-N;444.44;-0.5;54671203;DB00254;;CHEMBL3559889;BML;EBAMP;30;-1;;;;;;;;;;-3.67;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Enalapril;MM11341;CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O;GBXSMTUPTTWBMN-UHFFFAOYSA-N;376.45;1.6;;;;;BML;EBAMP;30;-1;;;;;;;;;;-5.86;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;BML;EBAMP;30;-1;;;;;;;;;;-6.14;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;BML;EBAMP;30;1;;;;;;;;;;-4.98;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;BML;EBAMP;30;0;;;;;;;;;;-5.68;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BML;EBAMP;30;0;;;;;;;;;;-4.64;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;BML;EBAMP;30;-1;;;;;;;;;;-4.73;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;BML;EBAMP;30;1;;;;;;;;;;-5.16;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;BML;EBAMP;30;1;;;;;;;;;;-5.4;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Naltrexone;MM01519;O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5;DQCKKXVULJGBQN-UHFFFAOYSA-N;341.41;1.53;5360515;;;;BML;EBAMP;30;1;;;;;;;;;;-5.34;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Oxytetracycline;MM01521;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C12;OWFJMIVZYSDULZ-UHFFFAOYSA-N;460.44;-1.4;54675779;;;;BML;EBAMP;30;-1;;;;;;;;;;-5.21;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
"Penicilin V";MM11342;CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O;BPLBGHOLXOTWMN-UHFFFAOYSA-N;350.4;0.7;6869;;;CHEMBL615;BML;EBAMP;30;-1;;;;;;;;;;-6.25;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;BML;EBAMP;30;1;;;;;;;;;;-5.1;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;BML;EBAMP;30;1;;;;;;;;;;-5.81;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Pravastatin;MM01522;CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21;TUZYXOIXSAXUGO-UHFFFAOYSA-N;424.53;2.44;54687;;;CHEMBL1144;BML;EBAMP;30;-1;;;;;;;;;;-6.21;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
4-amino-N-[2-(diethylamino)ethyl]benzamide;MM01523;CCN(CC)CCNC(=O)c1ccc(N)cc1;REQCZEXYDRLIBE-UHFFFAOYSA-N;235.33;1.34;4913;;;;BML;EBAMP;30;1;;;;;;;;;;-5.14;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BML;EBAMP;30;1;;;;;;;;;;-4.55;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;BML;EBAMP;30;1;;;;;;;;;;-4.82;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;BML;EBAMP;30;1;;;;;;;;;;-5.66;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;BML;EBAMP;30;-1;;;;;;;;;;-5.76;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;BML;EBAMP;30;1;;;;;;;;;;-5.65;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Tetracycline;MM01277;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12;OFVLGDICTFRJMM-UHFFFAOYSA-N;444.44;-0.21;54675776;DB00759;;CHEMBL1440;BML;EBAMP;30;-1;;;;;;;;;;-5.12;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;BML;EBAMP;30;1;;;;;;;;;;-4.92;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;PL-A;EBAMP;30;1;;;;;;;;;;-6.39;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;PL-A;EBAMP;30;0;;;;;;;;;;-6.57;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Doxycycline;MM01272;CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21;SGKRLCUYIXIAHR-UHFFFAOYSA-N;444.44;-0.5;54671203;DB00254;;CHEMBL3559889;PL-A;EBAMP;30;-1;;;;;;;;;;-5.82;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Enalapril;MM11341;CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O;GBXSMTUPTTWBMN-UHFFFAOYSA-N;376.45;1.6;;;;;PL-A;EBAMP;30;-1;;;;;;;;;;-6.28;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;PL-A;EBAMP;30;-1;;;;;;;;;;-6.62;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;PL-A;EBAMP;30;1;;;;;;;;;;-5.33;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;PL-A;EBAMP;30;0;;;;;;;;;;-6.12;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;PL-A;EBAMP;30;0;;;;;;;;;;-5.71;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;PL-A;EBAMP;30;-1;;;;;;;;;;-4.99;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;PL-A;EBAMP;30;1;;;;;;;;;;-6.12;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Naltrexone;MM01519;O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5;DQCKKXVULJGBQN-UHFFFAOYSA-N;341.41;1.53;5360515;;;;PL-A;EBAMP;30;1;;;;;;;;;;-4.84;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Oxytetracycline;MM01521;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C12;OWFJMIVZYSDULZ-UHFFFAOYSA-N;460.44;-1.4;54675779;;;;PL-A;EBAMP;30;-1;;;;;;;;;;-5.89;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;PL-A;EBAMP;30;1;;;;;;;;;;-6.15;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;PL-A;EBAMP;30;1;;;;;;;;;;-6.52;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
4-amino-N-[2-(diethylamino)ethyl]benzamide;MM01523;CCN(CC)CCNC(=O)c1ccc(N)cc1;REQCZEXYDRLIBE-UHFFFAOYSA-N;235.33;1.34;4913;;;;PL-A;EBAMP;30;1;;;;;;;;;;-6.51;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;PL-A;EBAMP;30;1;;;;;;;;;;-4.86;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;PL-A;EBAMP;30;1;;;;;;;;;;-5.34;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;PL-A;EBAMP;30;1;;;;;;;;;;-6.85;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;PL-A;EBAMP;30;-1;;;;;;;;;;-6.64;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Tetracycline;MM01277;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12;OFVLGDICTFRJMM-UHFFFAOYSA-N;444.44;-0.21;54675776;DB00759;;CHEMBL1440;PL-A;EBAMP;30;-1;;;;;;;;;;-5.85;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;PL-A;EBAMP;30;1;;;;;;;;;;-5.51;;;;;;;;;;;;"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 ";"Sugano K., Hamada H., Machida M., Usio H. High Throughput Prediction of Oral Absorption: Improvement of the Composition of the Lipid Solution Used in Parallel Artificial Membrane Permeation Assay. 2001 6(3) 189-196 "
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;CACO;ECACO;37;0;;;;;;;;;;-4.87;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;ECACO;37;0;;;;;;;;;;-4.37;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;37;1;;;;;;;;;;-5.4;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
N-(Methylsulfonyl)-D-Phenylalanyl-N-[(1-Carbamimidoylpiperidin-4-Yl)methyl]-L-Prolinamide;MM11345;CS(=O)(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCC1CCN(C(=N)N)CC1;UCVAQBJLJIKTFJ-UHFFFAOYSA-N;478.62;-0.14;9869699;;;;CACO;ECACO;37;;;;;;;;;;;-6.3;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Ifetroban;MM11346;CCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1;BBPRUNPUJIUXSE-UHFFFAOYSA-N;440.54;4.12;3037233;;;;CACO;ECACO;37;;;;;;;;;;;-4.67;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;ECACO;37;0;;;;;;;;;;-4.39;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;37;1;;;;;;;;;;-5.54;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;ECACO;37;1;;;;;;;;;;-4.87;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;ECACO;37;0;;;;;;;;;;-4.94;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;CACO;ECACO;37;1;;;;;;;;;;-5.21;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
1-hydrazinophthalazine;MM00501;NNc1nncc2ccccc12;RPTUSVTUFVMDQK-UHFFFAOYSA-N;160.18;0.92;3637;DB01275;HLZ;CHEMBL276832;CACO;ECACO;37;1;;;;;;;;;;-4.82;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;CACO;ECACO;37;-1;;;;;;;;;;-4.28;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;CACO;ECACO;37;;;;;;;;;;;-6;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Ketoconazole;MM00506;CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1;XMAYWYJOQHXEEK-UHFFFAOYSA-N;531.44;4.21;3823;DB01026;KTN;CHEMBL157101;CACO;ECACO;37;1;;;;;;;;;;-4.68;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;37;0;;;;;;;;;;-5.64;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;37;1;;;;;;;;;;-4.9;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
"Naproxen Sodium";MM11348;COc1ccc2cc(C(C)C(=O)[O-])ccc2c1.[Na+];CDBRNDSHEYLDJV-UHFFFAOYSA-M;252.25;-1.29;23681059;;;;CACO;ECACO;37;-1;;;;;;;;;;-4.31;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;1;;;;;;;;;;-4.56;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;CACO;ECACO;37;1;;;;;;;;;;-5.24;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;ECACO;37;-1;;;;;;;;;;-4.78;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Pravastatin;MM01522;CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21;TUZYXOIXSAXUGO-UHFFFAOYSA-N;424.53;2.44;54687;;;CHEMBL1144;CACO;ECACO;37;-1;;;;;;;;;;-5.54;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Sulfamethoxazole;MM11351;Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1;JLKIGFTWXXRPMT-UHFFFAOYSA-N;253.28;1.37;;;;;CACO;ECACO;37;0;;;;;;;;;;-4.42;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;37;-1;;;;;;;;;;-5.49;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Sulfisoxazole;MM11352;Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C;NHUHCSRWZMLRLA-UHFFFAOYSA-N;267.31;1.67;;;;;CACO;ECACO;37;0;;;;;;;;;;-4.83;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;ECACO;37;1;;;;;;;;;;-5.55;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;CACO;ECACO;37;1;;;;;;;;;;-5.16;;;;;;;;;;;;"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241";"Marino A. M., Yardea M., Patela H., Chong S., Balimane P. V., Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. 2005. Int. J. Pharm. 297, 235-241"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;37;-1;;;;;;;;;;-5.8;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CACO;ECACO;37;+1-1;;;;;;;;;;-5.35;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;CACO;ECACO;37;1;;;;;;;;;;-5.46;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;ECACO;37;0;;;;;;;;;;-5.8;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;CACO;ECACO;37;0;;;;;;;;;;-4.89;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;1;;;;;;;;;;-4.88;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;37;1;;;;;;;;;;-4.92;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;37;1;;;;;;;;;;-4.83;;;;;;;;;;;;"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16";"Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;POPC;ENMRD;35;0;;;;;;;;;;-1.87;;;;;;;;;;;;;"Koenig SH, Ahkong QF, Brown RD, Lafleur M, Spiller M, Unger E, Tilcock C.: Permeability of liposomal membranes to water: results from the magnetic field dependence of T1 of solvent protons in suspensions of vesicles with entrapped paramagnetic ions. Magn Reson Med, Volume 23 (2), 275-286, 1992"
Amonniea;MM11353;;;;;;;;;POPC;EFALUV;27;0;;;;;;;;;;-1.44;;;;;;;;;;;;;"Lande MB, Donovan JM, Zeidel ML.: The relationship between membrane fluidity and permeabilities to water, solutes, ammonia, and protons. J Gen Physiol, Volume 106 (1), 67-84, 1995"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;POPC;EFALUV;27;0;;;;;;;;;;-5.89;;;;;;;;;;;;;"Lande MB, Donovan JM, Zeidel ML.: The relationship between membrane fluidity and permeabilities to water, solutes, ammonia, and protons. J Gen Physiol, Volume 106 (1), 67-84, 1995"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;POPC;EFALUV;27;0;;;;;;;;;;-4.28;;;;;;;;;;;;;"Lande MB, Donovan JM, Zeidel ML.: The relationship between membrane fluidity and permeabilities to water, solutes, ammonia, and protons. J Gen Physiol, Volume 106 (1), 67-84, 1995"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;POPC;EGUV-CCD;25;0;;;;;;;;;;-7.77;;;;;;;;;;;;;"Peterlin, P., Gasper. J., Pisanski, T. Determining membrane permeability of giant phospholipid vesicles from a series of videomicroscopy images. 2009. Meas. Sci. Technol. 20, 7pp"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;MA-GUV;21;0;;;;;;;;;;-3.08;;;;;;;;;;;;;"Olbrich K, Rawicz W, Needham D, Evans E.: Water permeability and mechanical strength of polyunsaturated lipid bilayers. Biophys J, Volume 79 (1), 321-327, 2000"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;MA-GUV;35;0;;;;;;;;;;-4.15;;;;;;;;;;;;;"Rawicz W, Smith BA, McIntosh TJ, Simon SA, Evans E.: Elasticity, strength, and water permeability of bilayers that contain raft microdomain-forming lipids. Biophys J, Volume 94 (12), 4725-4736, 2008"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;MA-GUV;25;0;;;;;;;;;;-4.32;;;;;;;;;;;;;"Yoshitani, T., Yamazaka, M., Water permeability of lipid membranes of GUVs and its dependence on actin cytoskeletons inside the GUVs. 2008, 2008 International Symposium on Micro-NanoMechatronics and Human Science,130-134"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DPPC;MMAR;42;0;;;;;;;;;;-3.08;;;;;;;;;;;;;"Winter ND, Schatz GC.: Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid. J Phys Chem B, Volume 114 (15), 5053-5060, 2010"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DOPC;DC-DMR;40;0;;;;;;;;;;-3.59;;;;;;;;;;;;;"Huster D, Jin AJ, Arnold K, Gawrisch K.: Water permeability of polyunsaturated lipid membranes measured by 17O NMR. Biophys J, Volume 73 (2), 855-864, 1997"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;DPPC;EFALUV;40;0;;;;;;;;;;0.38;;;;;;;;;;;;;"Hill WG, Rivers RL, Zeidel ML.: Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. J Gen Physiol, Volume 114 (3), 405-414, 1999"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;DPPC;EFALUV;40;0;;;;;;;;;;-6;;;;;;;;;;;;;"Hill WG, Rivers RL, Zeidel ML.: Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. J Gen Physiol, Volume 114 (3), 405-414, 1999"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;DPPC;EFALUV;40;0;;;;;;;;;;-4.19;;;;;;;;;;;;;"Hill WG, Rivers RL, Zeidel ML.: Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. J Gen Physiol, Volume 114 (3), 405-414, 1999"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;DPPC;EFALUV;40;0;;;;;;;;;;-5.46;;;;;;;;;;;;;"Hill WG, Rivers RL, Zeidel ML.: Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. J Gen Physiol, Volume 114 (3), 405-414, 1999"
"Carbon Dioxide";MM11356;O=C=O;CURLTUGMZLYLDI-UHFFFAOYSA-N;44.01;-0.58;280;;;;DPPC;EFALUV;40;0;;;;;;;;;;-3.42;;;;;;;;;;;;;"Hill WG, Rivers RL, Zeidel ML.: Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. J Gen Physiol, Volume 114 (3), 405-414, 1999"
"Molecular Oxygen";MM11137;O=O;MYMOFIZGZYHOMD-UHFFFAOYSA-N;32;0.07;977;;;;POPC;MDD;37;0;;;;;;;;;;1.72;;;;;;;;;;;;;"Dotson RJ, Pias SC.: Reduced Oxygen Permeability upon Protein Incorporation Within Phospholipid Bilayers. Adv Exp Med Biol, Volume 1072, 405-411, 2018"
"Carbon Dioxide";MM11356;O=C=O;CURLTUGMZLYLDI-UHFFFAOYSA-N;44.01;-0.58;280;;;;"POPC:POPE (1:1) ";MDD;27;0;;;;;;;;;;0.48;;;;;;;;;;;;;"Hub JS, Winkler FK, Merrick M, de Groot BL.: Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes. J Am Chem Soc, Volume 132 (38), 13251-13263, 2010"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;POPC;MDD;27;0;;;;;;;;;;-0.89;;;;;;;;;;;;;"Hub JS, Winkler FK, Merrick M, de Groot BL.: Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes. J Am Chem Soc, Volume 132 (38), 13251-13263, 2010"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;POPE;MDD;27;0;;;;;;;;;;-1.77;;;;;;;;;;;;;"Hub JS, Winkler FK, Merrick M, de Groot BL.: Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes. J Am Chem Soc, Volume 132 (38), 13251-13263, 2010"
"Molecular Oxygen";MM11137;O=O;MYMOFIZGZYHOMD-UHFFFAOYSA-N;32;0.07;977;;;;POPC;MDUSC36;37;0;;;;;;;;;;1.72;;;;;;;;;;;;;"Ghysels A, Venable RM, Pastor RW, Hummer G.: Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. J Chem Theory Comput, Volume 13 (6), 2962-2976, 2017"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;POPC;MDABFC36;35;0;;;;;;;;;;-0.09;;;;;;;;;;;;;"Comer J, Schulten K, Chipot C.: Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles. J Chem Theory Comput, Volume 13 (6), 2523-2532, 2017"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;POPC;MDABFC36;35;0;;;;;;;;;;0.86;;;;;;;;;;;;;"Comer J, Schulten K, Chipot C.: Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles. J Chem Theory Comput, Volume 13 (6), 2523-2532, 2017"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;POPC;MDSmC36;35;0;;;;;;;;;;-0.07;;;;;;;;;;;;;"Comer J, Schulten K, Chipot C.: Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles. J Chem Theory Comput, Volume 13 (6), 2523-2532, 2017"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;POPC;MDSmC36;35;0;;;;;;;;;;0.9;;;;;;;;;;;;;"Comer J, Schulten K, Chipot C.: Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles. J Chem Theory Comput, Volume 13 (6), 2523-2532, 2017"
Xenon;MM11355;;;;;;;;;DOPC;MMAR;27;0;;;;;;;;;;-1.29;;;;;;;;;;;;;"Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015"
"Molecular Oxygen";MM11137;O=O;MYMOFIZGZYHOMD-UHFFFAOYSA-N;32;0.07;977;;;;DOPC;MMAR;27;0;;;;;;;;;;-0.27;;;;;;;;;;;;;"Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015"
"Carbon Dioxide";MM11356;O=C=O;CURLTUGMZLYLDI-UHFFFAOYSA-N;44.01;-0.58;280;;;;DOPC;MMAR;27;0;;;;;;;;;;-3;;;;;;;;;;;;;"Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015"
Xenon;MM11355;;;;;;;;;POPE;MMAR;27;0;;;;;;;;;;-0.61;;;;;;;;;;;;;"Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015"
"Molecular Oxygen";MM11137;O=O;MYMOFIZGZYHOMD-UHFFFAOYSA-N;32;0.07;977;;;;POPE;MMAR;27;0;;;;;;;;;;-0.47;;;;;;;;;;;;;"Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015"
"Carbon Dioxide";MM11356;O=C=O;CURLTUGMZLYLDI-UHFFFAOYSA-N;44.01;-0.58;280;;;;POPE;MMAR;27;0;;;;;;;;;;-0.94;;;;;;;;;;;;;"Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;DMPC;MDUSC36;27;0;;;;;;;;;;-3.4;;;;;;;;;;;;;"Palaiokostas M, Ding W, Shahane G, Orsi M.: Effects of lipid composition on membrane permeation. Soft Matter, Volume 14 (42), 8496-8508, 2018"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;DMPC;MDUSC36;27;0;;;;;;;;;;-2.18;;;;;;;;;;;;;"Palaiokostas M, Ding W, Shahane G, Orsi M.: Effects of lipid composition on membrane permeation. Soft Matter, Volume 14 (42), 8496-8508, 2018"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DMPC;MDUSC36;27;0;;;;;;;;;;-0.81;;;;;;;;;;;;;"Palaiokostas M, Ding W, Shahane G, Orsi M.: Effects of lipid composition on membrane permeation. Soft Matter, Volume 14 (42), 8496-8508, 2018"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;ECACO;25;0;;;;;;;;;;-4.48;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;ECACO;25;0;;;;;;;;;;-4.6;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;ECACO;25;0;;;;;;;;;;-4.92;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;CACO;ECACO;25;0;;;;;;;;;;-4.63;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;ECACO;25;0;;;;;;;;;;-6.4;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;ECACO;25;1;;;;;;;;;;-4.52;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;ECACO;25;1;;;;;;;;;;-6.92;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;1;;;;;;;;;;-6.4;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;ECACO;25;1;;;;;;;;;;-6.48;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;ECACO;25;-1;;;;;;;;;;-5.47;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;25;-1;;;;;;;;;;-4.81;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;25;-1;;;;;;;;;;-7.35;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;CACO;ECACO;25;-1;;;;;;;;;;-7.09;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;CACO;ECACO;25;-1;;;;;;;;;;-6.82;;;;;;;;;;;;;"Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204"
Boc-Trp;MM01089;CC(C)(C)OC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)O;WXYGVKADAIJGHB-UHFFFAOYSA-N;304.35;2.69;44424848;;;;PL-A;EPAM;25;;;;;;;;;;;-5.74;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cbz-Trp;MM01090;O=C(NC(Cc1cc2ccccc2[nH]1)C(=O)O)OCc1ccccc1;DZJWNXSZBKGYKP-UHFFFAOYSA-N;338.36;3.09;44424857;;;;PL-A;EPAM;25;;;;;;;;;;;-5.55;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Fmoc-Trp;MM01091;O=C(NC(Cc1cc2ccccc2[nH]1)C(=O)O)OCC1c2ccccc2-c2ccccc21;KUROROGTRLAIQQ-UHFFFAOYSA-N;426.47;4.7;44424858;;;;PL-A;EPAM;25;;;;;;;;;;;-4.9;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
L-Tryptophanamide;MM01079;NC(=O)C(N)Cc1c[nH]c2ccccc12;JLSKPBDKNIXMBS-UHFFFAOYSA-N;203.25;0.52;439356;;;;PL-A;EPAM;25;;;;;;;;;;;-5.56;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
(2S)-2-acetamido-3-(1H-indol-3-yl)propanamide;MM01076;CC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;HNGIZKAMDMBRKJ-UHFFFAOYSA-N;245.28;0.7;94230;;;;PL-A;EPAM;25;;;;;;;;;;;-5.72;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Gly-Trp-NH2;MM01081;NCC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;YZMFLZVJQTUTKK-UHFFFAOYSA-N;260.3;-0.36;3081965;;;;PL-A;EPAM;25;;;;;;;;;;;-6.38;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Phe-Trp-NH2;MM01083;NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1;GVIJYQOEFGLWKI-UHFFFAOYSA-N;350.42;1.25;7020143;;;;PL-A;EPAM;25;;;;;;;;;;;-5.22;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Trp-Ala-Val-NH2;MM01092;CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C(N)=O)C(C)C;FSIVAWBKYORDEB-UHFFFAOYSA-N;373.46;0.17;44424859;;;;PL-A;EPAM;25;;;;;;;;;;;-6.62;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-Trp-Val-NH2;MM01093;CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C;ZFFQYIRICYOHAN-UHFFFAOYSA-N;344.42;0.84;44424860;;;;PL-A;EPAM;25;;;;;;;;;;;-6.18;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-D-Trp-Val-NH2;MM01094;CC(C)[C@@H](C(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C;ZFFQYIRICYOHAN-UHFFFAOYSA-N;344.42;0.84;44424861;;;;PL-A;EPAM;25;;;;;;;;;;;-6.14;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-Tyr-Leu-NH2;MM01088;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(N)=O;WGDDMZFVKNOORS-UHFFFAOYSA-N;335.4;0.46;14562813;;;;PL-A;EPAM;25;;;;;;;;;;;-6.54;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ac-Tyr-Phe-NH2;MM01086;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O;QJOFRQKWYZAXIZ-UHFFFAOYSA-N;369.42;0.65;11068626;;;;PL-A;EPAM;25;;;;;;;;;;;-6.92;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cyclo(-Gly-Trp);MM01082;O=C1CNC(=O)C(Cc2c[nH]c3ccccc23)N1;IFQZEERDQXQTLJ-UHFFFAOYSA-N;243.27;0.33;6997508;;;;PL-A;EPAM;25;;;;;;;;;;;-6.01;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cyclo(-Trp-Tyr);MM01087;O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1;ZJDMXAAEAVGGSK-ROUUACIJSA-N;349.39;1.64;;;;;PL-A;EPAM;25;;;;;;;;;;;-6.17;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Cyclo(-Trp-Trp);MM01084;O=C1NC(Cc2c[nH]c3ccccc23)C(=O)NC1Cc1c[nH]c2ccccc12;DNHODRZUCGXYKU-UHFFFAOYSA-N;372.43;2.42;7091706;;;;PL-A;EPAM;25;;;;;;;;;;;-5.04;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
1H-indole;MM01048;c1ccc2[nH]ccc2c1;SIKJAQJRHWYJAI-UHFFFAOYSA-N;117.15;2.17;798;;;;PL-A;EPAM;25;;;;;;;;;;;-4.5;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
2-(1H-indol-3-yl)ethanol;MM01064;OCCc1c[nH]c2ccccc12;MBBOMCVGYCRMEA-UHFFFAOYSA-N;161.2;1.7;10685;;;;PL-A;EPAM;25;;;;;;;;;;;-4.72;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;PL-A;EPAM;25;;;;;;;;;;;-5.27;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"Indole-3-carboxylic Acid";MM01072;O=C(O)c1c[nH]c2ccccc12;KMAKOBLIOCQGJP-UHFFFAOYSA-N;161.16;1.87;69867;;;;PL-A;EPAM;25;;;;;;;;;;;-6.1;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"Indole-3-acetic Acid";MM01049;O=C(O)Cc1c[nH]c2ccccc12;SEOVTRFCIGRIMH-UHFFFAOYSA-N;175.19;1.8;802;;;;PL-A;EPAM;25;;;;;;;;;;;-6.4;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"3-Indolepropionic Acid";MM01051;O=C(O)CCc1c[nH]c2ccccc12;GOLXRNDWAUTYKT-UHFFFAOYSA-N;189.21;2.19;3744;;;;PL-A;EPAM;25;;;;;;;;;;;-5.68;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;PL-A;EPAM;25;;;;;;;;;;;-6.44;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;PL-A;EPAM;25;;;;;;;;;;;-6.04;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;PL-A;EPAM;25;;;;;;;;;;;-4.94;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;PL-A;EPAM;25;;;;;;;;;;;-5.54;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;PL-A;EPAM;25;;;;;;;;;;;-5.41;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;PL-A;EPAM;25;;;;;;;;;;;-5.41;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;PL-A;EPAM;25;;;;;;;;;;;-4.98;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;PL-A;EPAM;25;;;;;;;;;;;-4.77;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;PL-A;EPAM;25;;;;;;;;;;;-4.55;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;PL-A;EPAM;25;;;;;;;;;;;-5.37;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;PL-A;EPAM;25;;;;;;;;;;;-6.47;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;PL-A;EPAM;25;;;;;;;;;;;-6.7;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;PL-A;EPAM;25;;;;;;;;;;;-5.45;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;PL-A;EPAM;25;;;;;;;;;;;-4.67;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;PL-A;EPAM;25;;;;;;;;;;;-4.71;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;PL-A;EPAM;25;;;;;;;;;;;-5.55;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;PL-A;EPAM;25;;;;;;;;;;;-5.18;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;PL-A;EPAM;25;;;;;;;;;;;-5.1;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;PL-A;EPAM;25;;;;;;;;;;;-6.15;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;PL-A;EPAM;25;;;;;;;;;;;-5.3;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;PL-A;EPAM;25;;;;;;;;;;;-6.72;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;PL-A;EPAM;25;;;;;;;;;;;-4.83;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;PL-A;EPAM;25;;;;;;;;;;;-5.31;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;PL-A;EPAM;25;;;;;;;;;;;-5.97;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;PL-A;EPAM;25;;;;;;;;;;;-5.47;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;PL-A;EPAM;25;;;;;;;;;;;-4.58;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;PL-A;EPAM;25;;;;;;;;;;;-6.06;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;PL-A;EPAM;25;;;;;;;;;;;-5.92;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;PL-A;EPAM;25;;;;;;;;;;;-4.95;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;PL-A;EPAM;25;;;;;;;;;;;-5.32;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;PL-A;EPAM;25;;;;;;;;;;;-5.5;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;PL-A;EPAM;25;;;;;;;;;;;-4.64;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;PL-A;EPAM;25;;;;;;;;;;;-4.76;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;PL-A;EPAM;25;;;;;;;;;;;-4.77;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;PL-A;EPAM;25;;;;;;;;;;;-4.41;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;PL-A;EPAM;25;;;;;;;;;;;-4.96;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;MM00543;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1;RMHMFHUVIITRHF-UHFFFAOYSA-N;351.41;1.56;4848;DB00670;;CHEMBL9967;PL-A;EPAM;25;;;;;;;;;;;-6.05;;;;;;;;;;;;;"Fujikawa M., Ano R., Nakao K., Shimizu R., Akamatsu M., Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: Application to prediction of Caco-2 cell permeability. Bioorg. Med. Chem. 13 (2005) 4721-4732"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;CACO;ECACO;25;;;;;;;;;;;-5.42;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;CACO;ECACO;25;;;;;;;;;;;-4;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;CACO;ECACO;25;;;;;;;;;;;-5.66;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;CACO;ECACO;25;;;;;;;;;;;-5.72;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;ECACO;25;;;;;;;;;;;-3.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;CACO;ECACO;25;;;;;;;;;;;-7.68;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;ECACO;25;;;;;;;;;;;-3.82;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;;;;;;;;;;;-5.48;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;CACO;ECACO;25;;;;;;;;;;;-4.55;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;CACO;ECACO;25;;;;;;;;;;;-3.82;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;CACO;ECACO;25;;;;;;;;;;;-6.42;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;CACO;ECACO;25;;;;;;;;;;;-6.57;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;CACO;ECACO;25;;;;;;;;;;;-6.49;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;CACO;ECACO;25;;;;;;;;;;;-3.92;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;ECACO;25;;;;;;;;;;;-4.4;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;25;;;;;;;;;;;-6.85;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;CACO;ECACO;25;;;;;;;;;;;-8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;CACO;ECACO;25;;;;;;;;;;;-4;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;ECACO;25;;;;;;;;;;;-6.04;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;ECACO;25;;;;;;;;;;;-4.25;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;ECACO;25;;;;;;;;;;;-4.03;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;CACO;ECACO;25;;;;;;;;;;;-4.11;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;CACO;ECACO;25;;;;;;;;;;;-3.96;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;CACO;ECACO;25;;;;;;;;;;;-6.66;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Loracarbef;MM01552;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CCC12)c1ccccc1;JAPHQRWPEGVNBT-UHFFFAOYSA-N;349.77;0.71;5284585;;;CHEMBL1013;CACO;ECACO;25;;;;;;;;;;;-6.62;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;;;;;;;;;;;-6.24;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;CACO;ECACO;25;;;;;;;;;;;-4.6;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;25;;;;;;;;;;;-3.85;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;ECACO;25;;;;;;;;;;;-6.41;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;CACO;ECACO;25;;;;;;;;;;;-6.17;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;CACO;ECACO;25;;;;;;;;;;;-7.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;CACO;ECACO;25;;;;;;;;;;;-3.96;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;CACO;ECACO;25;;;;;;;;;;;-3.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;ECACO;25;;;;;;;;;;;-4.01;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;ECACO;25;;;;;;;;;;;-5.21;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;CACO;ECACO;25;;;;;;;;;;;-4.01;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;;;;;;;;;;;-3.96;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;CACO;ECACO;25;;;;;;;;;;;-4.02;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;ECACO;25;;;;;;;;;;;-4.89;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;CACO;ECACO;25;;;;;;;;;;;-5.3;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;25;;;;;;;;;;;-6.22;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;ECACO;25;;;;;;;;;;;-6.39;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;25;;;;;;;;;;;-4;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;CACO;ECACO;25;;;;;;;;;;;-4;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;CACO;ECACO;25;;;;;;;;;;;-4.06;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;25;;;;;;;;;;;-4.018;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;MDCK;EMDCK;25;;;;;;;;;;;-5.77;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;MDCK;EMDCK;25;;;;;;;;;;;-4.46;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;MDCK;EMDCK;25;;;;;;;;;;;-5.13;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;MDCK;EMDCK;25;;;;;;;;;;;-5.66;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;MDCK;EMDCK;25;;;;;;;;;;;-6.68;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;MDCK;EMDCK;25;;;;;;;;;;;-3.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;MDCK;EMDCK;25;;;;;;;;;;;-6.62;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;MDCK;EMDCK;25;;;;;;;;;;;-3.82;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;MDCK;EMDCK;25;;;;;;;;;;;-5.74;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;MDCK;EMDCK;25;;;;;;;;;;;-5.22;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;MDCK;EMDCK;25;;;;;;;;;;;-3.89;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;MDCK;EMDCK;25;;;;;;;;;;;-6.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;MDCK;EMDCK;25;;;;;;;;;;;-6.32;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;MDCK;EMDCK;25;;;;;;;;;;;-6.52;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;MDCK;EMDCK;25;;;;;;;;;;;-3.85;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;MDCK;EMDCK;25;;;;;;;;;;;-4.7;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;MDCK;EMDCK;25;;;;;;;;;;;-6.21;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;MDCK;EMDCK;25;;;;;;;;;;;-6.44;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;MDCK;EMDCK;25;;;;;;;;;;;-3.72;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;MDCK;EMDCK;25;;;;;;;;;;;-6;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;MDCK;EMDCK;25;;;;;;;;;;;-4.51;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;MDCK;EMDCK;25;;;;;;;;;;;-4.7;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;MDCK;EMDCK;25;;;;;;;;;;;-4.6;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;MDCK;EMDCK;25;;;;;;;;;;;-4.06;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;MDCK;EMDCK;25;;;;;;;;;;;-6.74;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Loracarbef;MM01552;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CCC12)c1ccccc1;JAPHQRWPEGVNBT-UHFFFAOYSA-N;349.77;0.71;5284585;;;CHEMBL1013;MDCK;EMDCK;25;;;;;;;;;;;-6.04;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;MDCK;EMDCK;25;;;;;;;;;;;-4.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;MDCK;EMDCK;25;;;;;;;;;;;-3.82;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;MDCK;EMDCK;25;;;;;;;;;;;-5.85;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;MDCK;EMDCK;25;;;;;;;;;;;-5.85;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;MDCK;EMDCK;25;;;;;;;;;;;-7.32;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;MDCK;EMDCK;25;;;;;;;;;;;-3.96;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;MDCK;EMDCK;25;;;;;;;;;;;-3.92;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;MDCK;EMDCK;25;;;;;;;;;;;-4.23;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;MDCK;EMDCK;25;;;;;;;;;;;-5.89;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;MDCK;EMDCK;25;;;;;;;;;;;-3.8;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;MDCK;EMDCK;25;;;;;;;;;;;-3.77;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;MDCK;EMDCK;25;;;;;;;;;;;-4.39;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;MDCK;EMDCK;25;;;;;;;;;;;-5;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;MDCK;EMDCK;25;;;;;;;;;;;-5.32;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;MDCK;EMDCK;25;;;;;;;;;;;-6.32;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;MDCK;EMDCK;25;;;;;;;;;;;-5.72;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;MDCK;EMDCK;25;;;;;;;;;;;-6;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;MDCK;EMDCK;25;;;;;;;;;;;-3.85;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;MDCK;EMDCK;25;;;;;;;;;;;-4.26;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;MDCK;EMDCK;25;;;;;;;;;;;-4.284;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;MDCK;EMDCK;25;;;;;;;;;;;-4.36;;;;;;;;;;;;;"Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;CACO;ECACO;37;-1;;;;;;;;;;-4.4;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;CACO;ECACO;37;0;;;;;;;;;;-4.46;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;ECACO;37;-1;;;;;;;;;;-4.73;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;CACO;ECACO;37;1;;;;;;;;;;-6.82;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;37;-1;;;;;;;;;;-6.92;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;1;;;;;;;;;;-4.52;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;CACO;ECACO;37;1;;;;;;;;;;-4.53;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;CACO;ECACO;37;1;;;;;;;;;;-4.99;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;37;1;;;;;;;;;;-6.13;;;;;;;;;;;;;"Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;MDCK;EMDCK;37;;;;;;;;;;;-5.45;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;MDCK;EMDCK;37;;;;;;;;;;;-4.71;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;MDCK;EMDCK;37;;;;;;;;;;;-4.69;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;MDCK;EMDCK;37;;;;;;;;;;;-4.71;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;MDCK;EMDCK;37;;;;;;;;;;;-5.21;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;MDCK;EMDCK;37;;;;;;;;;;;-4.8;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;MDCK;EMDCK;37;;;;;;;;;;;-5.25;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;MDCK;EMDCK;37;;;;;;;;;;;-5.09;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Guanfacine;MM00370;N=C(N)NC(=O)Cc1c(Cl)cccc1Cl;INJOMKTZOLKMBF-UHFFFAOYSA-N;246.1;1.55;3519;DB01018;;CHEMBL862;MDCK;EMDCK;37;;;;;;;;;;;-5.3;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;MDCK;EMDCK;37;;;;;;;;;;;-4.86;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;MDCK;EMDCK;37;;;;;;;;;;;-6.89;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;MDCK;EMDCK;37;;;;;;;;;;;-7;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;MDCK;EMDCK;37;;;;;;;;;;;-6.6;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;MDCK;EMDCK;37;;;;;;;;;;;-7.55;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Lincomycin;MM00508;CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1;OJMMVQQUTAEWLP-KIDUDLJLSA-N;406.55;-0.86;3000540;DB01627;3QB;CHEMBL1447;MDCK;EMDCK;37;;;;;;;;;;;-7;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;MDCK;EMDCK;37;;;;;;;;;;;-6.98;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;MDCK;EMDCK;37;;;;;;;;;;;-6.8;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;MDCK;EMDCK;37;;;;;;;;;;;-6.96;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;MDCK;EMDCK;37;;;;;;;;;;;-6.55;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;MDCK;EMDCK;37;;;;;;;;;;;-6.52;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Etoposide;MM00361;COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O;VJJPUSNTGOMMGY-UHFFFAOYSA-N;588.56;1.34;36462;DB00773;EVP;CHEMBL44657;MDCK;EMDCK;37;;;;;;;;;;;-6.89;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;MDCK;EMDCK;37;;;;;;;;;;;-6.52;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;MDCK;EMDCK;37;;;;;;;;;;;-6.74;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
"Rhodamine 123";MM01360;COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12;FCGVBHISQBBIQF-UHFFFAOYSA-N;344.37;4.05;;;;;MDCK;EMDCK;37;;;;;;;;;;;-6.08;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;MDCK;EMDCK;37;;;;;;;;;;;-6.4;;;;;;;;;;;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
"PAMAM G0";MM15098;NCCNC(=O)CCN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CCC(=O)NCCN;SENLDUJVTGGYIH-UHFFFAOYSA-N;516.69;-4.55;4140276;;;;MDCK;EMDCK;37;;;;;;;;;;;-5.99;;;;;;;;;;;;;"Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E., Ghandehari, H. Transport of poly amidoamine dendrimers across Madin–Darby canine kidney cells. Int. J. Pharm. 2001 215(1-2) 263-267"
"PAMAM G1";MM15099;NCCNC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN;QVWIZHOFYGKROL-UHFFFAOYSA-N;1429.88;-11.46;15314332;;;;MDCK;EMDCK;37;;;;;;;;;;;-5.97;;;;;;;;;;;;;"Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E., Ghandehari, H. Transport of poly amidoamine dendrimers across Madin–Darby canine kidney cells. Int. J. Pharm. 2001 215(1-2) 263-267"
"PAMAM G2";MM15100;NCCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN;QYMWEDAKQRTCGD-UHFFFAOYSA-N;3256.24;-25.27;58720429;;;;MDCK;EMDCK;37;;;;;;;;;;;-7.12;;;;;;;;;;;;;"Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E., Ghandehari, H. Transport of poly amidoamine dendrimers across Madin–Darby canine kidney cells. Int. J. Pharm. 2001 215(1-2) 263-267"
"PAMAM G3";MM15101;CCOC(=O)C(C)(C)Br.CNC(=O)c1cc(Cl)c(O)cc1OCC(O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2.CNC(=O)c1cc(Cl)c(OC(C)(C)C(=O)O)cc1OCC(O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2;RQUHQNWSJVWLNY-UHFFFAOYSA-N;1243.9;8.8;160702438;;;;MDCK;EMDCK;37;;;;;;;;;;;-6.26;;;;;;;;;;;;;"Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E., Ghandehari, H. Transport of poly amidoamine dendrimers across Madin–Darby canine kidney cells. Int. J. Pharm. 2001 215(1-2) 263-267"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;37;;;;;;;;;;;-5.89;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;CACO;ECACO;37;;;;;;;;;;;-5.94;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;CACO;ECACO;37;;;;;;;;;;;-5;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;CACO;ECACO;37;;;;;;;;;;;-4.76;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;;;;;;;;;;;-4.56;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;CACO;ECACO;37;;;;;;;;;;;-4.44;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;MDCK;EMDCK;37;;;;;;;;;;;-5.38;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;MDCK;EMDCK;37;;;;;;;;;;;-4.47;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;MDCK;EMDCK;37;;;;;;;;;;;-5.54;;;;;;;;;;;;;"Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;MDCK;EMDCK;37;;;;;;;;;;;-4.36957;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Flumazenil;MM15104;CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2;OFBIFZUFASYYRE-UHFFFAOYSA-N;303.29;1.77;3373;;;CHEMBL407;MDCK;EMDCK;37;;;;;;;;;;;-4.22403;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;MDCK;EMDCK;37;;;;;;;;;;;-4.40561;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Ketamine;MM12881;CNC1(c2ccccc2Cl)CCCCC1=O;YQEZLKZALYSWHR-UHFFFAOYSA-N;237.73;2.9;;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.1261;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Meprobamate;MM00387;CCCC(C)(COC(N)=O)COC(N)=O;NPPQSCRMBWNHMW-UHFFFAOYSA-N;218.25;0.98;4064;DB00371;;CHEMBL979;MDCK;EMDCK;37;;;;;;;;;;;-4.46344;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;MDCK;EMDCK;37;;;;;;;;;;;-4.30539;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Naltrexone;MM01519;O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5;DQCKKXVULJGBQN-UHFFFAOYSA-N;341.41;1.53;5360515;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.39577;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Nitrazepam;MM15105;O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1;KJONHKAYOJNZEC-UHFFFAOYSA-N;281.27;2.38;;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.41005;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;MM00964;O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1;AKPLHCDWDRPJGD-UHFFFAOYSA-N;270.72;3.13;2997;;;CHEMBL523;MDCK;EMDCK;37;;;;;;;;;;;-4.1891;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;MDCK;EMDCK;37;;;;;;;;;;;-4.767;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;MM00565;C#CCN(C)[C@H](C)Cc1ccccc1;MEZLKOACVSPNER-GFCCVEGCSA-N;187.29;2.18;26757;DB01037;;CHEMBL972;MDCK;EMDCK;37;;;;;;;;;;;-4.15304;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;MDCK;EMDCK;37;;;;;;;;;;;-6.39903;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;MDCK;EMDCK;37;;;;;;;;;;;-4.35853;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;MM00588;CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1;OYPPVKRFBIWMSX-SXGWCWSVSA-N;317.23;3.84;5365247;DB04832;;CHEMBL37744;MDCK;EMDCK;37;;;;;;;;;;;-4.17005;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;MDCK;EMDCK;37;;;;;;;;;;;-4.7122;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;MDCK;EMDCK;37;;;;;;;;;;;-4.26201;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;MM00462;CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21;WSPOMRSOLSGNFJ-UHFFFAOYSA-N;315.87;5.19;667467;DB01239;;CHEMBL90125;MDCK;EMDCK;37;;;;;;;;;;;-4.58503;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Clomipramine;MM15108;CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21;GDLIGKIOYRNHDA-UHFFFAOYSA-N;314.86;4.53;;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.43297;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine;MM00484;CN(C)CCC=C1c2ccccc2COc2ccccc21;ODQWQRRAPPTVAG-UHFFFAOYSA-N;279.38;3.96;667477;DB01142;D7V;CHEMBL101740;MDCK;EMDCK;37;;;;;;;;;;;-4.266;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Fluvoxamine;MM00495;COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1;CJOFXWAVKWHTFT-UHFFFAOYSA-N;318.34;3.2;5324346;DB00176;FVX;CHEMBL814;MDCK;EMDCK;37;;;;;;;;;;;-4.49894;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;MDCK;EMDCK;37;;;;;;;;;;;-4.25493;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Maprotiline;MM15110;CNCCCC12CCC(c3ccccc31)c1ccccc12;QSLMDECMDJKHMQ-UHFFFAOYSA-N;277.41;4.21;;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.34199;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;MDCK;EMDCK;37;;;;;;;;;;;-4.21538;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Noscapine;MM00530;COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C;AKNNEGZIBPJZJG-UHFFFAOYSA-N;413.43;2.88;275196;DB06174;;CHEMBL364713;MDCK;EMDCK;37;;;;;;;;;;;-4.19246;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;MM00539;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1;RGCVKNLCSQQDEP-UHFFFAOYSA-N;403.98;3.94;4748;DB00850;;CHEMBL567;MDCK;EMDCK;37;;;;;;;;;;;-4.5157;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;MM00549;OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1;WYDUSKDSKCASEF-UHFFFAOYSA-N;287.45;3.94;4919;DB00387;;CHEMBL86715;MDCK;EMDCK;37;;;;;;;;;;;-4.15304;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;MDCK;EMDCK;37;;;;;;;;;;;-4.47366;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;MDCK;EMDCK;37;;;;;;;;;;;-4.12668;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Trimipramine;MM00254;CC(CN(C)C)CN1c2ccccc2CCc2ccccc21;ZSCDBOWYZJWBIY-UHFFFAOYSA-N;294.44;4.12;5584;DB00726;;CHEMBL644;MDCK;EMDCK;37;;;;;;;;;;;-4.39254;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;MM00591;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;ZAFYATHCZYHLPB-UHFFFAOYSA-N;307.4;3.25;5732;DB00425;;CHEMBL911;MDCK;EMDCK;37;;;;;;;;;;;-4.15864;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Eletriptan;MM15115;CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12;PWVXXGRKLHYWKM-LJQANCHMSA-N;382.53;3.82;;;;;MDCK;EMDCK;37;;;;;;;;;;;-5.82974;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Nalbuphine;MM00526;Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314;NETZHAKZCGBWSS-CEDHKZHLSA-N;357.45;1.71;5311304;DB00844;;CHEMBL895;MDCK;EMDCK;37;;;;;;;;;;;-4.85387;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;MM00590;CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12;ULSDMUVEXKOYBU-UHFFFAOYSA-N;287.36;1.92;60857;DB00315;;CHEMBL1185;MDCK;EMDCK;37;;;;;;;;;;;-6.5986;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;MDCK;EMDCK;37;;;;;;;;;;;-4.2233;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;MDCK;EMDCK;37;;;;;;;;;;;-4.17783;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;MDCK;EMDCK;37;;;;;;;;;;;-6.08145;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;MDCK;EMDCK;37;;;;;;;;;;;-4.52871;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;MDCK;EMDCK;37;;;;;;;;;;;-4.51145;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;MDCK;EMDCK;37;;;;;;;;;;;-4.10735;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;MDCK;EMDCK;37;;;;;;;;;;;-4.3363;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;MM01448;CCc1cccc2cc(C(O)CNC(C)(C)C)oc12;SSEBTPPFLLCUMN-UHFFFAOYSA-N;261.37;3.42;71733;DB06726;;296035;MDCK;EMDCK;37;;;;;;;;;;;-4.19314;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Cyclobenzaprine;MM15125;CN(C)CCC=C1c2ccccc2C=Cc2ccccc21;JURKNVYFZMSNLP-UHFFFAOYSA-N;275.4;4.55;;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.41454;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;MDCK;EMDCK;37;;;;;;;;;;;-4.15614;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Lorcainide;MM15127;CC(C)N1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1;XHOJAWVAWFHGHL-UHFFFAOYSA-N;370.92;4.79;;;;;MDCK;EMDCK;37;;;;;;;;;;;-4.34872;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Promethazine;MM00550;CC(CN1c2ccccc2Sc2ccccc21)N(C)C;PWWVAXIEGOYWEE-UHFFFAOYSA-N;284.43;4.24;4927;DB01069;;CHEMBL643;MDCK;EMDCK;37;;;;;;;;;;;-4.36653;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;MDCK;EMDCK;37;;;;;;;;;;;-5.93181;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;MDCK;EMDCK;37;;;;;;;;;;;-5.60033;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;MDCK;EMDCK;37;;;;;;;;;;;-6.4023;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Famciclovir;MM00362;CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O;GGXKWVWZWMLJEH-UHFFFAOYSA-N;321.34;0.54;3324;DB00426;;CHEMBL880;MDCK;EMDCK;37;;;;;;;;;;;-5.14752;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Indinavir;MM00505;CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O;CBVCZFGXHXORBI-UHFFFAOYSA-N;613.8;2.87;5362440;DB00224;MK1;CHEMBL115;MDCK;EMDCK;37;;;;;;;;;;;-5.96257;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;MM01378;CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1;ALWKGYPQUAPLQC-UHFFFAOYSA-N;223.3;1.94;4456;;;;MDCK;EMDCK;37;;;;;;;;;;;-6.15989;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;MDCK;EMDCK;37;;;;;;;;;;;-5.00966;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Amprenavir;MM00332;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1;YMARZQAQMVYCKC-OEMFJLHTSA-N;505.64;2.4;65016;DB00701;478;CHEMBL116;MDCK;EMDCK;37;;;;;;;;;;;-5.54061;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;MDCK;EMDCK;37;;;;;;;;;;;-4.73518;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;MDCK;EMDCK;37;;;;;;;;;;;-4.36653;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;MDCK;EMDCK;37;;;;;;;;;;;-5.73283;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;MDCK;EMDCK;37;;;;;;;;;;;-6.82102;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;MDCK;EMDCK;37;;;;;;;;;;;-4.83565;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;MDCK;EMDCK;37;;;;;;;;;;;-4.38195;;;;;;;;;;;;;"Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;BBB;EPAM;25;;;;;;;;;;;-5.1;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;BBB;EPAM;25;;;;;;;;;;;-4.92;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;BBB;EPAM;25;;;;;;;;;;;-5.02;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;BBB;EPAM;25;;;;;;;;;;;-5.23;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;;;;;;;;;;;-5.16;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;BBB;EPAM;25;;;;;;;;;;;-5.05;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine;MM00469;CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1;QZUDBNBUXVUHMW-UHFFFAOYSA-N;326.83;3.72;2818;DB00363;;CHEMBL42;BBB;EPAM;25;;;;;;;;;;;-4.89;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;;;;;;;;;;;-4.74;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;;;;;;;;;;;-4.92;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine;MM00484;CN(C)CCC=C1c2ccccc2COc2ccccc21;ODQWQRRAPPTVAG-UHFFFAOYSA-N;279.38;3.96;667477;DB01142;D7V;CHEMBL101740;BBB;EPAM;25;;;;;;;;;;;-5;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;MM00494;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;PLDUPXSUYLZYBN-UHFFFAOYSA-N;437.53;4.31;3372;DB00623;;CHEMBL726;BBB;EPAM;25;;;;;;;;;;;-5.23;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;BBB;EPAM;25;;;;;;;;;;;-4.92;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;BBB;EPAM;25;;;;;;;;;;;-7.19;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;BBB;EPAM;25;;;;;;;;;;;-5.24;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Maprotiline;MM15110;CNCCCC12CCC(c3ccccc31)c1ccccc12;QSLMDECMDJKHMQ-UHFFFAOYSA-N;277.41;4.21;;;;;BBB;EPAM;25;;;;;;;;;;;-5.07;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;MM00513;CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21;SLVMESMUVMCQIY-UHFFFAOYSA-N;386.59;4.9;4078;DB00933;;CHEMBL1088;BBB;EPAM;25;;;;;;;;;;;-5.18;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;MM00517;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;TTWJBBZEZQICBI-UHFFFAOYSA-N;299.8;2;4168;DB01233;;CHEMBL86;BBB;EPAM;25;;;;;;;;;;;-6.89;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;BBB;EPAM;25;;;;;;;;;;;-5.01;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;BBB;EPAM;25;;;;;;;;;;;-4.89;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Olanzapine;MM00089;Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1;KVWDHTXUZHCGIO-UHFFFAOYSA-N;312.44;3.44;4585;DB00334;;CHEMBL715;BBB;EPAM;25;;;;;;;;;;;-4.96;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
2-amino-5-phenyl-1,3-oxazol-4-one;MM00402;NC1=NC(=O)C(c2ccccc2)O1;NRNCYVBFPDDJNE-UHFFFAOYSA-N;176.18;0.6;4723;DB01230;;CHEMBL1177;BBB;EPAM;25;;;;;;;;;;;-6.47;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;MM00539;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1;RGCVKNLCSQQDEP-UHFFFAOYSA-N;403.98;3.94;4748;DB00850;;CHEMBL567;BBB;EPAM;25;;;;;;;;;;;-5.13;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;BBB;EPAM;25;;;;;;;;;;;-4.96;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;BBB;EPAM;25;;;;;;;;;;;-5.23;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;MM00562;CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12;ULFRLSNUDGIQQP-UHFFFAOYSA-N;269.35;1.91;5078;DB00953;;CHEMBL905;BBB;EPAM;25;;;;;;;;;;;-6.49;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;BBB;EPAM;25;;;;;;;;;;;-7.82;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;BBB;EPAM;25;;;;;;;;;;;-5.74;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;MM00422;CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21;SEQDDYPDSLOBDC-UHFFFAOYSA-N;300.75;2.47;5391;DB00231;;CHEMBL967;BBB;EPAM;25;;;;;;;;;;;-4.89;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
"(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid";MM00773;Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C;PBJUNZJWGZTSKL-UHFFFAOYSA-N;375.56;5.04;60648;DB00906;;CHEMBL1027;BBB;EPAM;25;;;;;;;;;;;-5.47;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;BBB;EPAM;25;;;;;;;;;;;-4.92;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;BBB;EPAM;25;;;;;;;;;;;-5.64;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;MM00584;COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1;PNVNVHUZROJLTJ-UHFFFAOYSA-N;277.41;3.04;5656;DB00285;;CHEMBL637;BBB;EPAM;25;;;;;;;;;;;-5.09;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
Zaleplon;MM00434;CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1;HUNXMJYCHXQEGX-UHFFFAOYSA-N;305.34;2.64;5719;DB00962;;CHEMBL1521;BBB;EPAM;25;;;;;;;;;;;-5.68;;;;;;;;;;;;;"Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;MDCK;EMDCK;37;;;;;;;;;;;-4.83;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;MDCK;EMDCK;37;;;;;;;;;;;-4.8;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;MDCK;EMDCK;37;;;;;;;;;;;-4.74;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine;MM00469;CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1;QZUDBNBUXVUHMW-UHFFFAOYSA-N;326.83;3.72;2818;DB00363;;CHEMBL42;MDCK;EMDCK;37;;;;;;;;;;;-4.55;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;MDCK;EMDCK;37;;;;;;;;;;;-4.33;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;MDCK;EMDCK;37;;;;;;;;;;;-4.47;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Ergotamine;MM00488;CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21;XCGSFFUVFURLIX-VFGNJEKYSA-N;581.67;1.99;8223;DB00696;ERM;CHEMBL442;MDCK;EMDCK;37;;;;;;;;;;;-4.99;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;MM00494;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;PLDUPXSUYLZYBN-UHFFFAOYSA-N;437.53;4.31;3372;DB00623;;CHEMBL726;MDCK;EMDCK;37;;;;;;;;;;;-5.46;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;MDCK;EMDCK;37;;;;;;;;;;;-6.4;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;MM00379;Cc1cc(C(=O)NNCc2ccccc2)no1;XKFPYPQQHFEXRZ-UHFFFAOYSA-N;231.26;1.42;3759;DB01247;;;MDCK;EMDCK;37;;;;;;;;;;;-4.75;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;MDCK;EMDCK;37;;;;;;;;;;;-4.7;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;MDCK;EMDCK;37;;;;;;;;;;;-4.74;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;MM00513;CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21;SLVMESMUVMCQIY-UHFFFAOYSA-N;386.59;4.9;4078;DB00933;;CHEMBL1088;MDCK;EMDCK;37;;;;;;;;;;;-4.83;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;MM00517;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;TTWJBBZEZQICBI-UHFFFAOYSA-N;299.8;2;4168;DB01233;;CHEMBL86;MDCK;EMDCK;37;;;;;;;;;;;-4.77;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;MDCK;EMDCK;37;;;;;;;;;;;-4.49;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Olanzapine;MM00089;Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1;KVWDHTXUZHCGIO-UHFFFAOYSA-N;312.44;3.44;4585;DB00334;;CHEMBL715;MDCK;EMDCK;37;;;;;;;;;;;-4.8;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
2-amino-5-phenyl-1,3-oxazol-4-one;MM00402;NC1=NC(=O)C(c2ccccc2)O1;NRNCYVBFPDDJNE-UHFFFAOYSA-N;176.18;0.6;4723;DB01230;;CHEMBL1177;MDCK;EMDCK;37;;;;;;;;;;;-5.34;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Pergolide;MM00538;CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21;YEHCICAEULNIGD-MZMPZRCHSA-N;314.5;4.27;47811;DB01186;;CHEMBL531;MDCK;EMDCK;37;;;;;;;;;;;-4.6;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
2-phenylethylhydrazine;MM00404;NNCCc1ccccc1;RMUCZJUITONUFY-UHFFFAOYSA-N;136.2;0.69;3675;DB00780;;CHEMBL1089;MDCK;EMDCK;37;;;;;;;;;;;-4.26;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;MDCK;EMDCK;37;;;;;;;;;;;-4.56;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
5-ethyl-5-phenyl-1,3-diazinane-4,6-dione;MM00409;CCC1(c2ccccc2)C(=O)NCNC1=O;DQMZLTXERSFNPB-UHFFFAOYSA-N;218.26;0.54;4909;DB00794;;CHEMBL856;MDCK;EMDCK;37;;;;;;;;;;;-5.6;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;MDCK;EMDCK;37;;;;;;;;;;;-4.48;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;MDCK;EMDCK;37;;;;;;;;;;;-4.52;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;MM00562;CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12;ULFRLSNUDGIQQP-UHFFFAOYSA-N;269.35;1.91;5078;DB00953;;CHEMBL905;MDCK;EMDCK;37;;;;;;;;;;;-6;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Sertraline;MM00566;CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21;VGKDLMBJGBXTGI-SJCJKPOMSA-N;306.24;5.18;68617;DB01104;SRE;CHEMBL809;MDCK;EMDCK;37;;;;;;;;;;;-5.68;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;MM00422;CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21;SEQDDYPDSLOBDC-UHFFFAOYSA-N;300.75;2.47;5391;DB00231;;CHEMBL967;MDCK;EMDCK;37;;;;;;;;;;;-4.38;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
"(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid";MM00773;Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C;PBJUNZJWGZTSKL-UHFFFAOYSA-N;375.56;5.04;60648;DB00906;;CHEMBL1027;MDCK;EMDCK;37;;;;;;;;;;;-4.77;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;MDCK;EMDCK;37;;;;;;;;;;;-6.15;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;MM00584;COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1;PNVNVHUZROJLTJ-UHFFFAOYSA-N;277.41;3.04;5656;DB00285;;CHEMBL637;MDCK;EMDCK;37;;;;;;;;;;;-4.93;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
Zaleplon;MM00434;CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1;HUNXMJYCHXQEGX-UHFFFAOYSA-N;305.34;2.64;5719;DB00962;;CHEMBL1521;MDCK;EMDCK;37;;;;;;;;;;;-4.43;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;MDCK;EMDCK;37;;;;;;;;;;;-4.93;;;;;;;;;;;;;"Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;MDCK;EMDCK;25;;;;;;;;;;;-6.74;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;MDCK;EMDCK;25;;;;;;;;;;;-4.94;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;MDCK;EMDCK;25;;;;;;;;;;;-7.05;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;ECACO;25;;;;;;;;;;;-5.89;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;CACO;ECACO;25;;;;;;;;;;;-6.47;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;CACO;ECACO;25;;;;;;;;;;;-4.5;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CACO;ECACO;25;;;;;;;;;;;-6.54;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CALU3;ECALU3;25;;;;;;;;;;;-5.49;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CALU3;ECALU3;25;;;;;;;;;;;-6.1;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
"Sulfanilic Acid";MM15136;;;;;;;;;CALU3;ECALU3;25;;;;;;;;;;;-6.12;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;CALU3;ECALU3;25;;;;;;;;;;;-6.52;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CALU3;ECALU3;25;;;;;;;;;;;-6.19;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CALU3;ECALU3;25;;;;;;;;;;;-4.41;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;CALU3;ECALU3;25;;;;;;;;;;;-4.71;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CALU3;ECALU3;25;;;;;;;;;;;-6.6;;;;;;;;;;;;;"Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CALU3;ECALU3;37;;;;;;;;;;;-6.87;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
"P-Aminohippuric Acid";MM15137;Nc1ccc(C(=O)NCC(=O)O)cc1;HSMNQINEKMPTIC-UHFFFAOYSA-N;194.19;0.08;2148;;;;CALU3;ECALU3;37;;;;;;;;;;;-6.59;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CALU3;ECALU3;37;;;;;;;;;;;-5.02;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CALU3;ECALU3;37;;;;;;;;;;;-4.66;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
TEA;MM15138;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-7.26;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Na-Fluorescein;MM15139;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-6.83;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
"Luciferin Yellow";MM15140;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-7.37;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;CALU3;ECALU3;37;;;;;;;;;;;-7.18;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
FD-4;MM15141;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-8.22;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
FD-10;MM15142;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-8.7;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
FD-20;MM15143;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-9;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
FD-70;MM15144;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-9.7;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CALU3;ECALU3;37;;;;;;;;;;;-4.84;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CALU3;ECALU3;37;;;;;;;;;;;-4.53;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;CALU3;ECALU3;37;;;;;;;;;;;-4.68;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Uridine;MM11510;O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1;DRTQHJPVMGBUCF-UHFFFAOYSA-N;244.2;-2.85;;;;;CALU3;ECALU3;37;;;;;;;;;;;-6.03;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Salbutanol;MM15145;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-6.86;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Dexamethanose;MM15146;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-5.13;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Cromoglycate;MM15147;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-7.6;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Insulin;MM15148;;;;;;;;;CALU3;ECALU3;37;;;;;;;;;;;-8.7;;;;;;;;;;;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;PL-A;EPAM;25;;;;;;;;;;;-6.0752;0.000980499;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;PL-A;EPAM;25;;;;;;;;;;;-5.61798;0.0684315;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
N,N-diethyl-4-methylpiperazine-1-carboxamide;MM00854;CCN(CC)C(=O)N1CCN(C)CC1;RCKMWOKWVGPNJF-UHFFFAOYSA-N;199.3;0.7;3052;DB00711;;CHEMBL684;PL-A;EPAM;25;;;;;;;;;;;-4.56225;0.00475182;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;PL-A;EPAM;25;;;;;;;;;;;-5.06702;0.00354492;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;PL-A;EPAM;25;;;;;;;;;;;-4.31515;0.00179339;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide;MM00480;CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C;UVTNFZQICZKOEM-UHFFFAOYSA-N;339.48;3.36;3114;DB00280;;CHEMBL517;PL-A;EPAM;25;;;;;;;;;;;-5.56703;0.0416384;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;PL-A;EPAM;25;;;;;;;;;;;-6.2426;0.10243;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;PL-A;EPAM;25;;;;;;;;;;;-4.90658;0.014;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;PL-A;EPAM;25;;;;;;;;;;;-6.4437;0.00723333;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;PL-A;EPAM;25;;;;;;;;;;;-4.89963;0.0172222;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;PL-A;EPAM;25;;;;;;;;;;;-7.74473;0.602778;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;PL-A;EPAM;25;;;;;;;;;;;-5.81531;0.014183;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;PL-A;EPAM;25;;;;;;;;;;;-4.37882;0.00207656;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;PL-A;EPAM;25;;;;;;;;;;;-5.36754;0.0131515;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;PL-A;EPAM;25;;;;;;;;;;;-6.17263;0.0561875;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;PL-A;EPAM;25;;;;;;;;;;;-5.06702;0.00303851;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;PL-A;EPAM;25;;;;;;;;;;;-5.02687;0.00415532;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;ECACO;37;;;;;;;;;;;-5.90658;0.084;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;37;;;;;;;;;;;-5.5817;0.0281603;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
N,N-diethyl-4-methylpiperazine-1-carboxamide;MM00854;CCN(CC)C(=O)N1CCN(C)CC1;RCKMWOKWVGPNJF-UHFFFAOYSA-N;199.3;0.7;3052;DB00711;;CHEMBL684;CACO;ECACO;37;;;;;;;;;;;-4.01909;0.0231285;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;CACO;ECACO;37;;;;;;;;;;;-4.79588;0.0515375;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;CACO;ECACO;37;;;;;;;;;;;-3.85078;0.0184681;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide;MM00480;CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C;UVTNFZQICZKOEM-UHFFFAOYSA-N;339.48;3.36;3114;DB00280;;CHEMBL517;CACO;ECACO;37;;;;;;;;;;;-5.37263;0.00511792;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;37;;;;;;;;;;;-5.47756;0.00912312;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;CACO;ECACO;37;;;;;;;;;;;-4.41567;0.0248646;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Inulin;MM01493;OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;JYJIGFIDKWBXDU-UHFFFAOYSA-N;6179.37;-83.67;;DB00638;;;CACO;ECACO;37;;;;;;;;;;;-6.03574;0.0475939;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;ECACO;37;;;;;;;;;;;-4.29671;0.00429703;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;37;;;;;;;;;;;-5.55129;0.0247117;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;37;;;;;;;;;;;-4.39794;0.01519;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;CACO;ECACO;37;;;;;;;;;;;-3.89963;0.0137778;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;;;;;;;;;;;-4.30539;0.0105212;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;CACO;ECACO;37;;;;;;;;;;;-6.39254;0.0332198;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;ECACO;37;;;;;;;;;;;-4.21467;0.00640328;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;37;;;;;;;;;;;-4.4828;0.0131915;;;;;;;;;;;"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010";"Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;EggPC;EPAMOL;25;;;;;;;;;;;-6.1549;0.031;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Me-norfloxatin;MM15152;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-4.3098;0.221429;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Pr-norfloxatin;MM15153;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-3.87943;0.0986364;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Bu-norfloxatin;MM15154;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-3.43771;0.0713425;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Ciproflaxacin;MM15155;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-5.56864;0.0482222;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Me-ciprofloxaxin;MM15156;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-4.4318;0.0234595;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Pr-ciprofloxacin;MM01439;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-3.86328;0.117212;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Bu-ciprofloxacin;MM01440;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-3.51999;0.0617947;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;EggPC;EPAMOL;25;;;;;;;;;;;-5.42022;0.0913684;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
CNV97101;MM01441;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-4.69897;0.1302;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
"1-cyclopropyl-7-(4-ethyl-3-methylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00728;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;POMKZSJIYNWBRP-UHFFFAOYSA-N;373.43;2.7;10109876;;;;EggPC;EPAMOL;25;;;;;;;;;;;-4.29243;0.110627;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
CNV97103;MM00729;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;WPGHZQMHNTXSAF-UHFFFAOYSA-N;387.46;3.09;13326823;;;;EggPC;EPAMOL;25;;;;;;;;;;;-3.79588;0.07595;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
"7-(4-butyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00730;CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;QPVCGSGGZMAACV-UHFFFAOYSA-N;401.48;3.48;13385166;;;;EggPC;EPAMOL;25;;;;;;;;;;;-3.37882;0.0394545;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Ofloxaxin;MM15157;;;;;;;;;EggPC;EPAMOL;25;;;;;;;;;;;-5.20066;0.0275556;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
"6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid";MM00771;O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O;XBHBWNFJWIASRO-UHFFFAOYSA-N;385.37;2.38;56208;DB11491;;CHEMBL37858;EggPC;EPAMOL;25;;;;;;;;;;;-4.85387;0.155;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Sparfloxacin;MM00772;CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1;DZZWHBIBMUVIIW-UHFFFAOYSA-N;392.41;2.08;60464;DB01208;;CHEMBL850;EggPC;EPAMOL;25;;;;;;;;;;;-4.03621;0.023587;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;EggPC;EPAMOL;25;;;;;;;;;;;-3.84466;0.0121399;;;;;;;;;;;"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004.";"Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, Merino V.: PAMPA - A drug absorption in vitro model: 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur. J. Pharm. Sci. 21, 429–441, 2004."
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;CACO;ECACO;37;;"apical to basolateral transport";;;;;;;;;-5.4437;0.168778;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
"1-cyclopropyl-7-(4-ethyl-3-methylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00728;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;POMKZSJIYNWBRP-UHFFFAOYSA-N;373.43;2.7;10109876;;;;CACO;ECACO;37;;"apical to basolateral transport";;;;;;;;;-4.77469;0.0800833;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
CNV97103;MM00729;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;WPGHZQMHNTXSAF-UHFFFAOYSA-N;387.46;3.09;13326823;;;;CACO;ECACO;37;;"apical to basolateral transport";;;;;;;;;-4.81816;0.0571053;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
"7-(4-butyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00730;CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;QPVCGSGGZMAACV-UHFFFAOYSA-N;401.48;3.48;13385166;;;;CACO;ECACO;37;;"apical to basolateral transport";;;;;;;;;-4.85699;0.124892;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CACO;ECACO;37;;"apical to basolateral transport";;;;;;;;;-5.67985;0.602201;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;CACO;ECACO;37;;"basolateral to apical transport";;;;;;;;;-4.85387;0.1085;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
"1-cyclopropyl-7-(4-ethyl-3-methylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00728;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;POMKZSJIYNWBRP-UHFFFAOYSA-N;373.43;2.7;10109876;;;;CACO;ECACO;37;;"basolateral to apical transport";;;;;;;;;-4.67572;0.0555355;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
CNV97103;MM00729;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;WPGHZQMHNTXSAF-UHFFFAOYSA-N;387.46;3.09;13326823;;;;CACO;ECACO;37;;"basolateral to apical transport";;;;;;;;;-4.75696;0.434;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
"7-(4-butyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid";MM00730;CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;QPVCGSGGZMAACV-UHFFFAOYSA-N;401.48;3.48;13385166;;;;CACO;ECACO;37;;"basolateral to apical transport";;;;;;;;;-4.74958;0.109719;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CACO;ECACO;37;;"basolateral to apical transport";;;;;;;;;-5.11919;0.3255;;;;;;;;;;;"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002";"Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;GIT-0;EPAMOL;37;;;;;;;;;;;-1.93;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GIT-0;EPAMOL;37;;;;;;;;;;;-3.55;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;GIT-0;EPAMOL;37;;;;;;;;;;;-3.13;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;GIT-0;EPAMOL;37;;;;;;;;;;;-4.17;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GIT-0;EPAMOL;37;;;;;;;;;;;-2.18;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;BBB;EPAMOL;37;;;;;;;;;;;-1.8;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;BBB;EPAMOL;37;;;;;;;;;;;-3.19;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAMOL;37;;;;;;;;;;;-3.1;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAMOL;37;;;;;;;;;;;-4.21;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAMOL;37;;;;;;;;;;;-2.33;;;;;;;;;;;;"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014";"Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;37;;;;;;;;;;;-5.79588;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;;;;;;;;;;;-4.64782;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CACO;ECACO;37;;;;;;;;;;;-5.72125;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;CACO;ECACO;37;;;;;;;;;;;-7;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;37;;;;;;;;;;;-5.58503;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;ECACO;37;;;;;;;;;;;-5.02687;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;37;;;;;;;;;;;-4.67162;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;37;;;;;;;;;;;-4.67778;;;;;;;;;;;;"Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y";"Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011"
"1-Methyl-3-cinnamylimidazolium Chlorid";MM15161;;;200.283;;;;;;SC;CQikProp;25;;;;;;;;;1.859;;-7.8513;;;;;;;;;;;;"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018";"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018"
"1-Hexyl-3-cinnamylimidazolium Chloride";MM15162;;;270.417;;;;;;SC;CQikProp;25;;;;;;;;;3.511;;-7.4333;;;;;;;;;;;;"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018";"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018"
"1-Octyl-3-cinnamylimidazolium Chloride";MM15163;;;298.47;;;;;;SC;CQikProp;25;;;;;;;;;4.028;;-6.3043;;;;;;;;;;;;"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018";"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018"
"1-Decyl-3-cinnamylimidazolium Chloride";MM15164;;;326.524;;;;;;SC;CQikProp;25;;;;;;;;;4.523;;-6.1843;;;;;;;;;;;;"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018";"Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;CERNS;MDUAG;37;0;;2.75;;89.3;;37.3;;;;;;;;;;;;;;;;"Huang C, Wang H, Tang L, Meng F.: Penetration enhancement of menthol on quercetin through skin: insights from atomistic simulation. J Mol Model, Volume 25 (8), 235, 2019";"Huang C, Wang H, Tang L, Meng F.: Penetration enhancement of menthol on quercetin through skin: insights from atomistic simulation. J Mol Model, Volume 25 (8), 235, 2019"
Menthol;MM15165;;;;;;;;;CERNS;MDUAG;37;0;;;;15;;23.3;;;;;;;;;;;;;;;;"Huang C, Wang H, Tang L, Meng F.: Penetration enhancement of menthol on quercetin through skin: insights from atomistic simulation. J Mol Model, Volume 25 (8), 235, 2019";"Huang C, Wang H, Tang L, Meng F.: Penetration enhancement of menthol on quercetin through skin: insights from atomistic simulation. J Mol Model, Volume 25 (8), 235, 2019"
2,2,6,6-tetramethylpiperidine-1-oxyl;MM15166;CC1(C)CCCC(C)(C)N1[O];QYTDEUPAUMOIOP-UHFFFAOYSA-N;156.25;2.38;2724126;;;;SC;EEPR;32;0;;;;;;;;1.82;;;;;;;;;;;;;;10.1016/j.jmr.2019.106637;"Elpelt A, Ivanov D, Nováčková A, Kováčik A, Sochorová M, Saeidpour S, Teutloff C, Lohan SB, Lademann J, Vávrová K, Hedtrich S, Meinke MC.: Investigation of TEMPO partitioning in different skin models as measured by EPR spectroscopy - Insight into the stratum corneum. J Magn Reson, Volume 310, 106637, 2020"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;PL-A;EPAMOL;22;;;;;;;;;;;-5.5;0.03;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;PL-A;EPAMOL;22;;;;;;;;;;;-5.09;0.03;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;PL-A;EPAMOL;22;;;;;;;;;;;-2.43;0.03;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Betamethasone;MM00920;CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO;UREBDLICKHMUKA-UHFFFAOYSA-N;392.47;1.9;9782;DB00443;;CHEMBL632;PL-A;EPAMOL;22;;;;;;;;;;;-3.98;0.01;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Cefixime;MM15167;C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)C2SC1;OKBVVJOGVLARMR-UHFFFAOYSA-N;453.46;-0.54;;;;;PL-A;EPAMOL;22;;;;;;;;;;;-0.71;0.08;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Cephalothin;MM01541;CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1;XIURVHNZVLADCM-UHFFFAOYSA-N;396.45;0.59;;;;;PL-A;EPAMOL;22;;;;;;;;;;;-1.52;0.04;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;PL-A;EPAMOL;22;;;;;;;;;;;-4.12;0.01;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;PL-A;EPAMOL;22;;;;;;;;;;;-0.94;0.01;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Chlorthalidone;MM00343;NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl;JIVPVXMEBJLZRO-UHFFFAOYSA-N;338.77;0.92;2732;DB00310;;CHEMBL1055;PL-A;EPAMOL;22;;;;;;;;;;;-4.7;0.08;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Colchicine;MM00345;COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2;IAKHMKGGTNLKSZ-UHFFFAOYSA-N;399.44;2.87;6167;DB01394;LOC;CHEMBL87;PL-A;EPAMOL;22;;;;;;;;;;;-5.48;0.02;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;PL-A;EPAMOL;22;;;;;;;;;;;-0.9;0.01;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Eprosartan;MM15168;CCCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1;OROAFUQRIXKEMV-UHFFFAOYSA-N;424.52;4.74;;;;;PL-A;EPAMOL;22;;;;;;;;;;;-3.73;0.02;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;PL-A;EPAMOL;22;;;;;;;;;;;-4.6;0.04;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;PL-A;EPAMOL;22;;;;;;;;;;;-5.23;0.05;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;PL-A;EPAMOL;22;;;;;;;;;;;3.03;0.03;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Nafcillin;MM12938;CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O;GPXLMGHLHQJAGZ-UHFFFAOYSA-N;414.48;2.48;;;;;PL-A;EPAMOL;22;;;;;;;;;;;-1;0.02;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;PL-A;EPAMOL;22;;;;;;;;;;;-1.69;0.01;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;PL-A;EPAMOL;22;;;;;;;;;;;-5.24;0.02;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Oxybutynin;MM15170;CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1;XIQVNETUBQGFHX-UHFFFAOYSA-N;357.49;3.34;;;;;PL-A;EPAMOL;22;;;;;;;;;;;-2.43;;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;PL-A;EPAMOL;22;;;;;;;;;;;-1.98;0.16;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;PL-A;EPAMOL;22;;;;;;;;;;;-0.21;0.01;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Pyridoxine;MM00555;Cc1ncc(CO)c(CO)c1O;LXNHXLLTXMVWPM-UHFFFAOYSA-N;169.18;0.08;1054;DB00165;UEG;CHEMBL1364;PL-A;EPAMOL;22;;;;;;;;;;;-5.1;0.03;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;PL-A;EPAMOL;22;;;;;;;;;;;-1.55;;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;PL-A;EPAMOL;22;;;;;;;;;;;-2.19;0.07;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;PL-A;EPAMOL;22;;;;;;;;;;;-0.66;0.1;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;PL-A;EPAMOL;22;;;;;;;;;;;-5.76;0.1;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;PL-A;EPAMOL;22;;;;;;;;;;;-2.71;0.02;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;PL-A;EPAMOL;22;;;;;;;;;;;-0.89;0.04;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;PL-A;EPAMOL;22;;;;;;;;;;;-2.21;0.02;;;;;;;;;;;"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011";"Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;POPC;MDUSA4A9;30;;;;;;;;;;;-4.15;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;POPC;MDUSA4A9;30;;;;;;;;;;;-2.57;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;POPC;MDUSA4A9;30;;;;;;;;;;;-1.38;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Varapamil;MM15172;;;;;;;;;POPC;MDUSA4A9;30;;;;;;;;;;;-0.58;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;POPC;MDUSA4A9;30;;;;;;;;;;;0.041;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Chlopromazine;MM15173;;;;;;;;;POPC;MDUSA4A9;30;;;;;;;;;;;0.42;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;POPC;MDUSA4A9;30;;;;;;;;;;;0.21;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;POPC;MDA14A99;30;;;;;;;;;;;-2.93;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;POPC;MDA14A99;30;;;;;;;;;;;-1.36;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;POPC;MDA14A99;30;;;;;;;;;;;0.35;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Varapamil;MM15172;;;;;;;;;POPC;MDA14A99;30;;;;;;;;;;;1.2;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;POPC;MDA14A99;30;;;;;;;;;;;1.39;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Chlopromazine;MM15173;;;;;;;;;POPC;MDA14A99;30;;;;;;;;;;;1.76;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;POPC;MDA14A99;30;;;;;;;;;;;1.56;;;;;;;;;;;;"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018";"Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018"
"N-dodecanoylglutamic Acid";MM15174;;;;;;;;;DOPC;ITC;25;-2;"pH 7.4";;;;;;;3.74036;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
"N-dodecanoylglutamic Acid";MM15174;;;;;;;;;DOPC;ITC;25;"-1, -2";"pH 5.6";;;;;;;3.74819;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
Nα-dodecanoyl-glutamic-glutamic-Oα-dodecylamide;MM15175;;;;;;;;;DOPC;ITC;25;-1;"pH 7.4";;;;;;;4.02938;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
Nα-dodecanoyl-glutamic-glutamic-Oα-dodecylamide;MM15175;;;;;;;;;DOPC;ITC;25;0;"pH 5.6";;;;;;;4.45788;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
"N-dodecanoylglutamic Acid";MM15174;;;;;;;;;DOPC;ITC;37;-2;"pH 7.4";;;;;;;3.73239;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
"N-dodecanoylglutamic Acid";MM15174;;;;;;;;;DOPC;ITC;37;"-1, -2";"pH 5.6";;;;;;;3.74036;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
Nα-dodecanoyl-glutamic-glutamic-Oα-dodecylamide;MM15175;;;;;;;;;DOPC;ITC;37;-1;"pH 7.4";;;;;;;4.07188;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
Nα-dodecanoyl-glutamic-glutamic-Oα-dodecylamide;MM15175;;;;;;;;;DOPC;ITC;37;0;"pH 5.6";;;;;;;4.24551;;;;;;;;;;;;;;"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018";"Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-6.02;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-6.01;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-6;0.103;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.98;0.021;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.97;0.006;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Vildagliptin;MM15176;N#CC1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2;SYOKIDBDQMKNDQ-UHFFFAOYSA-N;303.41;1.17;;;;;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.96;0.09;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;MM00438;CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1;NDAUXUAQIAJITI-GFCCVEGCSA-N;239.32;1.31;2083;DB01001;;CHEMBL714;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.92;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.9;0.064;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.88;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL28992;MM15179;COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2;FEROPKNOYKURCJ-CYBMUJFWSA-N;309.8;1.75;;;;CHEMBL28992;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.44;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL178291;MM15180;O=C(N[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1;ZPGXFKKACMYBDC-ZDUSSCGKSA-N;275.31;1.42;;;;CHEMBL178291;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.38;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL27846;MM15182;COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2;FEROPKNOYKURCJ-ZDUSSCGKSA-N;309.8;1.75;;;;CHEMBL27846;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.33;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL18274;MM15183;O=C(NC1CN2CCC1CC2)c1cccc2[nH]cnc12;PXZZTFWLAOPLPF-UHFFFAOYSA-N;270.34;1.39;;;;CHEMBL18274;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.32;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Zacopride;MM12254;COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2;FEROPKNOYKURCJ-UHFFFAOYSA-N;309.8;1.75;;;;;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.23;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL563327;MM15185;CCNC(=O)c1cc2c(-c3cc(OCCN4CCCC4)c(Cl)cc3Cl)nc(N)nc2s1;WJUNQSYQHHIVFX-UHFFFAOYSA-N;480.42;4.47;;;;CHEMBL563327;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.11;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Maprotiline;MM15110;CNCCCC12CCC(c3ccccc31)c1ccccc12;QSLMDECMDJKHMQ-UHFFFAOYSA-N;277.41;4.21;;;;;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-5.03;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL2326015;MM15188;Fc1ccc(N2CCNCC2)nc1-c1n[nH]c2ncccc12;AFICENYJQYURCA-UHFFFAOYSA-N;298.33;1.57;;;;CHEMBL2326015;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.99;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.92;0.068;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.9;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.89;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.84;0.102;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Cyclobenzaprine;MM15125;CN(C)CCC=C1c2ccccc2C=Cc2ccccc21;JURKNVYFZMSNLP-UHFFFAOYSA-N;275.4;4.55;;;;;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.79;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Promethazine;MM00550;CC(CN1c2ccccc2Sc2ccccc21)N(C)C;PWWVAXIEGOYWEE-UHFFFAOYSA-N;284.43;4.24;4927;DB01069;;CHEMBL643;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.78;0.238;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL171070;MM15194;COc1ccc(Cl)cc1C(=O)NC1CN2CCC1CC2;UMDACOINPWBUCY-UHFFFAOYSA-N;294.78;2.17;;;;CHEMBL171070;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.76;0.111;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Fluvoxamine;MM00495;COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1;CJOFXWAVKWHTFT-UHFFFAOYSA-N;318.34;3.2;5324346;DB00176;FVX;CHEMBL814;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.74;0.067;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.74;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.73;0.088;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.66;0.108;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.64;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.64;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.63;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.61;0.106;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.6;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;MM01514;O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F;DJBNUMBKLMJRSA-UHFFFAOYSA-N;414.35;3.44;3356;;;;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.58;0.124;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.56;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
CHEMBL1483568;MM15195;CCC1CCCCN1Cc1ccc(OC)c(C)c1;PMUOMFGRPVAPMX-UHFFFAOYSA-N;247.38;3.77;;;;CHEMBL1483568;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.56;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.51;;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;MDCK;EMDCK;37;;"MDCK-LE (Low Efflux)";;;;;;;;;-4.42;0.158;;;;;;;;;;;"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019";"Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019"
"Carbon Dioxide";MM11356;O=C=O;CURLTUGMZLYLDI-UHFFFAOYSA-N;44.01;-0.58;280;;;;HBMEC;MDC36;25;0;;;;;;;;;;-0.823909;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;HBMEC;MDC36;25;0;;;;;;;;;;-2.03152;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;HBMEC;MDC36;25;0;;;;;;;;;;-1.69897;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;HBMEC;MDC36;25;0;;;;;;;;;;-4.20761;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;HBMEC;MDC36;25;0;;;;;;;;;;-5;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;HBMEC;MDC36;25;0;;;;;;;;;;-5.49485;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;HBMEC;MDC36;25;0;;;;;;;;;;-3.09152;;;;;;;;;;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019";"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;BBB;EPAMOL;25;;;;;;;;;;;-4.94;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;BBB;EPAMOL;25;;;;;;;;;;;-1.27;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;BBB;EPAMOL;25;;;;;;;;;;;-2.37;0.09;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;BBB;EPAMOL;25;;;;;;;;;;;-6.14;0.01;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;BBB;EPAMOL;25;;;;;;;;;;;-1.39;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;BBB;EPAMOL;25;;;;;;;;;;;-1.83;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;BBB;EPAMOL;25;;;;;;;;;;;-2.87;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;BBB;EPAMOL;25;;;;;;;;;;;-3.13;0.23;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;BBB;EPAMOL;25;;;;;;;;;;;-3.85;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAMOL;25;;;;;;;;;;;-5.92;0.01;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;BBB;EPAMOL;25;;;;;;;;;;;-4.54;0.01;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;BBB;EPAMOL;25;;;;;;;;;;;-4.75;0.06;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Chlorambucil;MM00640;O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1;JCKYGMPEJWAADB-UHFFFAOYSA-N;304.22;3.38;2708;DB00291;CBL;CHEMBL515;BBB;EPAMOL;25;;;;;;;;;;;-2.45;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAMOL;25;;;;;;;;;;;-1.46;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BBB;EPAMOL;25;;;;;;;;;;;-6.4;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;BBB;EPAMOL;25;;;;;;;;;;;-2.09;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine;MM00469;CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1;QZUDBNBUXVUHMW-UHFFFAOYSA-N;326.83;3.72;2818;DB00363;;CHEMBL42;BBB;EPAMOL;25;;;;;;;;;;;-2.58;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;BBB;EPAMOL;25;;;;;;;;;;;-3.68;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Colchicine;MM00345;COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2;IAKHMKGGTNLKSZ-UHFFFAOYSA-N;399.44;2.87;6167;DB01394;LOC;CHEMBL87;BBB;EPAMOL;25;;;;;;;;;;;-6.35;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAMOL;25;;;;;;;;;;;-4.65;0.01;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;BBB;EPAMOL;25;;;;;;;;;;;-2.71;0.06;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAMOL;25;;;;;;;;;;;-3.83;0.01;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;BBB;EPAMOL;25;;;;;;;;;;;-6.12;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;BBB;EPAMOL;25;;;;;;;;;;;-3.18;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;BBB;EPAMOL;25;;;;;;;;;;;-2.64;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;BBB;EPAMOL;25;;;;;;;;;;;-3.44;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;BBB;EPAMOL;25;;;;;;;;;;;-3.36;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine;MM00484;CN(C)CCC=C1c2ccccc2COc2ccccc21;ODQWQRRAPPTVAG-UHFFFAOYSA-N;279.38;3.96;667477;DB01142;D7V;CHEMBL101740;BBB;EPAMOL;25;;;;;;;;;;;-1.6;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;BBB;EPAMOL;25;;;;;;;;;;;-4.23;0.34;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
DPDPE;MM00731;CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(=O)O;MCMMCRYPQBNCPH-UHFFFAOYSA-N;645.8;1.11;104787;DB08861;;CHEMBL31421;BBB;EPAMOL;25;;;;;;;;;;;-6.22;0.68;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Ergotamine;MM00488;CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21;XCGSFFUVFURLIX-VFGNJEKYSA-N;581.67;1.99;8223;DB00696;ERM;CHEMBL442;BBB;EPAMOL;25;;;;;;;;;;;-2.5;0.06;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;BBB;EPAMOL;25;;;;;;;;;;;-5.83;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Etoposide;MM00361;COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O;VJJPUSNTGOMMGY-UHFFFAOYSA-N;588.56;1.34;36462;DB00773;EVP;CHEMBL44657;BBB;EPAMOL;25;;;;;;;;;;;-6.17;0.27;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;BBB;EPAMOL;25;;;;;;;;;;;-3.22;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;BBB;EPAMOL;25;;;;;;;;;;;-5.17;0.15;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;BBB;EPAMOL;25;;;;;;;;;;;-1.39;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;MM00494;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;PLDUPXSUYLZYBN-UHFFFAOYSA-N;437.53;4.31;3372;DB00623;;CHEMBL726;BBB;EPAMOL;25;;;;;;;;;;;-2.36;0.16;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;BBB;EPAMOL;25;;;;;;;;;;;-2.35;0.01;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Galantamine;MM00496;COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2;ASUTZQLVASHGKV-UHFFFAOYSA-N;287.36;1.85;9651;DB00674;GNT;CHEMBL659;BBB;EPAMOL;25;;;;;;;;;;;-3.41;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Glibenclamide;MM12519;COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1;ZNNLBTZKUZBEKO-UHFFFAOYSA-N;494.01;3.64;;DB01016;GBM;CHEMBL472;BBB;EPAMOL;25;;;;;;;;;;;-3.17;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;BBB;EPAMOL;25;;;;;;;;;;;-2.06;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAMOL;25;;;;;;;;;;;-5.17;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;MM00502;OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZQDWXGKKHFNSQK-UHFFFAOYSA-N;374.91;3.06;3658;DB00557;;CHEMBL896;BBB;EPAMOL;25;;;;;;;;;;;-3.72;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;BBB;EPAMOL;25;;;;;;;;;;;-2.64;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Imatinib;MM00503;Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1;KTUFNOKKBVMGRW-UHFFFAOYSA-N;493.62;4.59;5291;DB00619;STI;CHEMBL941;BBB;EPAMOL;25;;;;;;;;;;;-3.81;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Indinavir;MM00505;CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O;CBVCZFGXHXORBI-UHFFFAOYSA-N;613.8;2.87;5362440;DB00224;MK1;CHEMBL115;BBB;EPAMOL;25;;;;;;;;;;;-5.17;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;BBB;EPAMOL;25;;;;;;;;;;;-2.67;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;BBB;EPAMOL;25;;;;;;;;;;;-3.44;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;BBB;EPAMOL;25;;;;;;;;;;;-7.81;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;BBB;EPAMOL;25;;;;;;;;;;;-3.65;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;BBB;EPAMOL;25;;;;;;;;;;;-2.67;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;BBB;EPAMOL;25;;;;;;;;;;;-2.55;0.09;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Maprotiline;MM15110;CNCCCC12CCC(c3ccccc31)c1ccccc12;QSLMDECMDJKHMQ-UHFFFAOYSA-N;277.41;4.21;;;;;BBB;EPAMOL;25;;;;;;;;;;;-0.56;0.11;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
"(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid";MM00766;NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O;SGDBTWWWUNNDEQ-UHFFFAOYSA-N;305.21;1.93;460612;DB01042;;CHEMBL852;BBB;EPAMOL;25;;;;;;;;;;;-7.51;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;BBB;EPAMOL;25;;;;;;;;;;;-1.68;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;MM00513;CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21;SLVMESMUVMCQIY-UHFFFAOYSA-N;386.59;4.9;4078;DB00933;;CHEMBL1088;BBB;EPAMOL;25;;;;;;;;;;;-4.33;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
6-(dimethylamino)-4,4-diphenylheptan-3-one;MM00514;CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1;USSIQXCVUWKGNF-UHFFFAOYSA-N;309.45;4.29;4095;DB00333;;CHEMBL651;BBB;EPAMOL;25;;;;;;;;;;;-2.18;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;BBB;EPAMOL;25;;;;;;;;;;;-7.04;0.3;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;MM00517;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;TTWJBBZEZQICBI-UHFFFAOYSA-N;299.8;2;4168;DB01233;;CHEMBL86;BBB;EPAMOL;25;;;;;;;;;;;-1.11;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;BBB;EPAMOL;25;;;;;;;;;;;-2.61;0.02;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;BBB;EPAMOL;25;;;;;;;;;;;-4.47;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Naltrindole;MM00527;Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314;WIYUZYBFCWCCQJ-IFKAHUTRSA-N;414.51;3.57;5497186;;;;BBB;EPAMOL;25;;;;;;;;;;;-2.23;0.16;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;BBB;EPAMOL;25;;;;;;;;;;;-2.63;0.11;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;BBB;EPAMOL;25;;;;;;;;;;;-3.94;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Oxycodone;MM00533;COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314;BRUQQQPBMZOVGD-XFKAJCMBSA-N;315.37;1.05;5284603;DB00497;;CHEMBL656;BBB;EPAMOL;25;;;;;;;;;;;-3.32;0.11;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Paclitaxel;MM00400;CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;RCINICONZNJXQF-UHFFFAOYSA-N;853.92;3.74;36314;DB01229;TA1;CHEMBL428647;BBB;EPAMOL;25;;;;;;;;;;;-3.4;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Pergolide;MM00538;CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21;YEHCICAEULNIGD-MZMPZRCHSA-N;314.5;4.27;47811;DB01186;;CHEMBL531;BBB;EPAMOL;25;;;;;;;;;;;-1.45;0.06;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;MM00539;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1;RGCVKNLCSQQDEP-UHFFFAOYSA-N;403.98;3.94;4748;DB00850;;CHEMBL567;BBB;EPAMOL;25;;;;;;;;;;;-1.66;0.11;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-phenylethylhydrazine;MM00404;NNCCc1ccccc1;RMUCZJUITONUFY-UHFFFAOYSA-N;136.2;0.69;3675;DB00780;;CHEMBL1089;BBB;EPAMOL;25;;;;;;;;;;;-2.2;0.16;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;BBB;EPAMOL;25;;;;;;;;;;;-4.34;0.06;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;BBB;EPAMOL;25;;;;;;;;;;;-4.47;0.02;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
"4-(dipropylsulfamoyl)benzoic acid";MM00684;CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1;DBABZHXKTCFAPX-UHFFFAOYSA-N;285.37;2.2;4911;DB01032;;CHEMBL897;BBB;EPAMOL;25;;;;;;;;;;;-2.97;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAMOL;25;;;;;;;;;;;-3.58;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAMOL;25;;;;;;;;;;;-1.93;0.14;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;MM00512;COc1ccc(CN(CCN(C)C)c2ccccn2)cc1;YECBIJXISLIIDS-UHFFFAOYSA-N;285.39;2.66;4992;DB06691;;CHEMBL511;BBB;EPAMOL;25;;;;;;;;;;;-2.63;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;BBB;EPAMOL;25;;;;;;;;;;;-4.4;0.23;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;BBB;EPAMOL;25;;;;;;;;;;;-2.98;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;BBB;EPAMOL;25;;;;;;;;;;;-2.85;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;BBB;EPAMOL;25;;;;;;;;;;;-2.99;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;BBB;EPAMOL;25;;;;;;;;;;;-4;0.06;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Ritonavir;MM00419;CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1;NCDNCNXCDXHOMX-UHFFFAOYSA-N;720.96;5.91;392622;DB00503;RIT;CHEMBL163;BBB;EPAMOL;25;;;;;;;;;;;-4.24;0.02;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;BBB;EPAMOL;25;;;;;;;;;;;-3.82;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Sertraline;MM00566;CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21;VGKDLMBJGBXTGI-SJCJKPOMSA-N;306.24;5.18;68617;DB01104;SRE;CHEMBL809;BBB;EPAMOL;25;;;;;;;;;;;-1.73;0.08;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;BBB;EPAMOL;25;;;;;;;;;;;-4.86;0.36;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;BBB;EPAMOL;25;;;;;;;;;;;-0.54;0.19;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAMOL;25;;;;;;;;;;;-3.99;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Theobromine;MM00424;Cn1cnc2c1c(=O)[nH]c(=O)n2C;YAPQBXQYLJRXSA-UHFFFAOYSA-N;180.17;-1.04;5429;DB01412;37T;CHEMBL1114;BBB;EPAMOL;25;;;;;;;;;;;-8;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAMOL;25;;;;;;;;;;;-6.41;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine;MM00572;CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2;KLBQZWRITKRQQV-UHFFFAOYSA-N;370.59;5.89;5452;DB00679;;CHEMBL479;BBB;EPAMOL;25;;;;;;;;;;;-1.27;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;BBB;EPAMOL;25;;;;;;;;;;;-3.86;0.11;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;BBB;EPAMOL;25;;;;;;;;;;;-2.94;0.03;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;BBB;EPAMOL;25;;;;;;;;;;;-1.96;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;MM00583;CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1;PGZRDDYTKFZSFR-ONTIZHBOSA-N;356.51;3.25;105104;;;;BBB;EPAMOL;25;;;;;;;;;;;-2.23;0.14;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;BBB;EPAMOL;25;;;;;;;;;;;-3.77;;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;MM00584;COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1;PNVNVHUZROJLTJ-UHFFFAOYSA-N;277.41;3.04;5656;DB00285;;CHEMBL637;BBB;EPAMOL;25;;;;;;;;;;;-2.17;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAMOL;25;;;;;;;;;;;-2.03;0.04;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;BBB;EPAMOL;25;;;;;;;;;;;-4.36;0.05;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Vincristine;MM00587;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;OGWKCGZFUXNPDA-UHFFFAOYSA-N;824.97;3.52;5978;DB00541;;CHEMBL90555;BBB;EPAMOL;25;;;;;;;;;;;-4.54;0.1;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;BBB;EPAMOL;25;;;;;;;;;;;-3.21;0.09;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;BBB;EPAMOL;25;;;;;;;;;;;-6.24;0.07;;;;;;;;;;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011";"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DOPC;MDABFC36;35;0;;;;;;;;;;-0.229148;0.0220678;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;POPC;MDABFC36;35;0;;;;;;;;;;-0.091515;;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;POPE;MDABFC36;35;0;;;;;;;;;;-0.537602;0.0598621;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DLPC;MDABFC36;35;0;;;;;;;;;;0.117271;0.0265038;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DMPC;MDABFC36;35;0;;;;;;;;;;-0.180456;0.0328788;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DOPS;MDABFC36;35;0;;;;;;;;;;-0.508638;0.014;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DLPE;MDABFC36;35;0;;;;;;;;;;0.027125;;;;;;;;;;;;"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019";"Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019"
Hmpp;MM15208;Cc1[nH]ccc(=O)c1O;UVOPIJQQMRLUAD-UHFFFAOYSA-N;125.13;0.39;;;;;DMPC;MDUSSlip;37;0;;;;;;;;0.38;0.05;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
Hdmpp;MM15209;Cc1c(O)c(=O)ccn1C;TZXKOCQBRNJULO-UHFFFAOYSA-N;139.15;0.4;;;;;DMPC;MDUSSlip;37;0;;;;;;;;0.34;0.07;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
Hdepp;MM15210;CCc1c(O)c(=O)ccn1CC;XIYFEESCIBNMIC-UHFFFAOYSA-N;167.21;1.14;;;;;DMPC;MDUSSlip;37;0;;;;;;;;1.29;0.1;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
Hheepp;MM15211;CCc1c(O)c(=O)ccn1CCO;QEUNHAYEJPIRIA-UHFFFAOYSA-N;183.21;0.11;;;;;DMPC;MDUSSlip;37;0;;;;;;;;0.92;0.09;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
Hhexylmpp;MM15212;CCCCCCn1ccc(=O)c(O)c1C;UJMBXXIGVFMNDN-UHFFFAOYSA-N;209.29;2.44;;;;;DMPC;MDUSSlip;37;0;;;;;;;;3.64;0.2;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
[Zn(dmpp)2Wat];MM15213;;;;;;;;;DMPC;MDUSSlip;37;0;;;;;;;;1.55;0.11;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
[Zn(dmpp)2];MM15214;;;;;;;;;DMPC;MDUSSlip;37;0;;;;;;;;2.13;0.14;;;;;;;;;;;;;"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090";"Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;ECACO;37;;;;;;;;;;;-5.69897;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;CACO;ECACO;37;;;;;;;;;;;-5.42829;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;CACO;ECACO;37;;;;;;;;;;;-6.79588;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;37;;;;;;;;;;;-6.18709;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;CACO;ECACO;37;;;;;;;;;;;-4.09691;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Azithromycin;MM12580;CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;;;;;CACO;ECACO;37;;;;;;;;;;;-5.98297;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;ECACO;37;;;;;;;;;;;-4.29671;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;37;;;;;;;;;;;-5.51428;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;CACO;ECACO;37;;;;;;;;;;;-4.68613;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CACO;ECACO;37;;;;;;;;;;;-5.92082;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;ECACO;37;;;;;;;;;;;-4.63078;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;CACO;ECACO;37;;;;;;;;;;;-4.31876;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;CACO;ECACO;37;;;;;;;;;;;-4.69037;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;37;;;;;;;;;;;-4.56067;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;CACO;ECACO;37;;;;;;;;;;;-4.27984;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;CACO;ECACO;37;;;;;;;;;;;-4.14893;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;CACO;ECACO;37;;;;;;;;;;;-4.52143;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Fluconazole;MM12535;OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F;RFHAOTPXVQNOHP-UHFFFAOYSA-N;306.28;0.74;3365;;;CHEMBL106;CACO;ECACO;37;;;;;;;;;;;-4.52578;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;ECACO;37;;;;;;;;;;;-4.66555;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;37;;;;;;;;;;;-4.14104;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;CACO;ECACO;37;;;;;;;;;;;-4.91009;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;CACO;ECACO;37;;;;;;;;;;;-4.85078;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;CACO;ECACO;37;;;;;;;;;;;-4.46218;;;;;;;;;;;;"Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020";"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Tetraphenylboranuide;MM15227;c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1;SVHQOIWIRUVWII-UHFFFAOYSA-N;319.24;3.06;;;;;DPhPC;CCM18;25;;;;;;;;;;;-1.5;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile;MM15228;N#CC(C#N)=NNc1cccc(Cl)c1;UGTJLJZQQFGTJD-UHFFFAOYSA-N;204.62;2.16;;;;;DPhPC;CCM18;25;;;;;;;;;;;-7.2;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
3,5-dibromo-2-(2,4-dibromophenoxy)phenol;MM15229;Oc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1Br;SNCQITRZEBFIRW-UHFFFAOYSA-N;501.79;6.23;;;;;DPhPC;CCM18;25;;;;;;;;;;;-7.6;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Bis(fluorosulfonyl)azanide;MM15230;O=S(=O)(F)[N-]S(=O)(=O)F;NVIANCROYQGROD-UHFFFAOYSA-N;180.13;-0.21;;;;;DPhPC;CCM18;25;;;;;;;;;;;-7.7;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
2-(2-Methyl-2-propanyl)-4,6-dinitrophenol;MM15231;CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C(F)(F)F;UQRRKBGUXKHVFL-UHFFFAOYSA-N;336.22;3.27;;;;;DPhPC;CCM18;25;;;;;;;;;;;-8.8;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
2-butan-2-yl-4,6-dinitrophenol;MM15232;CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O;OWZPCEFYPSAJFR-UHFFFAOYSA-N;240.22;2.72;;;;;DPhPC;CCM18;25;;;;;;;;;;;-9.2;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Pentachlorophenol;MM15233;Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;IZUPBVBPLAPZRR-UHFFFAOYSA-N;266.34;4.66;;;;;DPhPC;CCM18;25;;;;;;;;;;;-9.2;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Bromoxynil;MM15234;N#Cc1cc(Br)c(O)c(Br)c1;UPMXNNIRAGDFEH-UHFFFAOYSA-N;276.92;2.79;;;;;DPhPC;CCM18;25;;;;;;;;;;;-10.2;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Triclosan;MM00310;Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl;XEFQLINVKFYRCS-UHFFFAOYSA-N;289.55;5.14;5564;DB08604;TCL;CHEMBL849;DPhPC;CCM18;25;;;;;;;;;;;-10.5;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Coumachlor;MM15235;CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O;DEKWZWCFHUABHE-UHFFFAOYSA-N;342.78;4.26;;;;;DPhPC;CCM18;25;;;;;;;;;;;-11;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Benzimidazole;MM15236;O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)nc12;XHHVZQKTSKYLQH-UHFFFAOYSA-N;231.13;2.49;;;;;DPhPC;CCM18;25;;;;;;;;;;;-11;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
3,4-dinitrophenol;MM15237;O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-];AKLOLDQYWQAREW-UHFFFAOYSA-N;184.11;1.21;;;;;DPhPC;CCM18;25;;;;;;;;;;;-11.5;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
2,4,6-tribromophenol;MM15238;Oc1c(Br)cc(Br)cc1Br;BSWWXRFVMJHFBN-UHFFFAOYSA-N;330.8;3.68;;;;;DPhPC;CCM18;25;;;;;;;;;;;-11.7;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
2,4-dinitrophenol;MM00226;O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1;UFBJCMHMOXMLKC-UHFFFAOYSA-N;184.11;1.21;1493;DB04528;DNF;CHEMBL273386;DPhPC;CCM18;25;;;;;;;;;;;-11.8;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;DPhPC;CCM18;25;;;;;;;;;;;-12.8;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;DPhPC;CCM18;25;;;;;;;;;;;-13.8;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
3,5-dichlorophenol;MM15239;Oc1cc(Cl)cc(Cl)c1;VPOMSPZBQMDLTM-UHFFFAOYSA-N;163;2.7;;;;;DPhPC;CCM18;25;;;;;;;;;;;-14.4;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
4-Nitrophenol;MM00819;O=[N+]([O-])c1ccc(O)cc1;BTJIUGUIPKRLHP-UHFFFAOYSA-N;139.11;1.3;980;DB04417;NPO;CHEMBL14130;DPhPC;CCM18;25;;;;;;;;;;;-15.1;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DPhPC;CCM18;25;;;;;;;;;;;-16.1;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
4-octylbenzenesulfonate;MM15240;CCCCCCCCc1ccc(S(=O)(=O)[O-])cc1;MSOTUIWEAQEETA-UHFFFAOYSA-M;269.39;3.49;;;;;DPhPC;CCM18;25;;;;;;;;;;;-17.6;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Sulcotrione;MM15241;CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1;PQTBTIFWAXVEPB-UHFFFAOYSA-N;328.77;1.86;;;;;DPhPC;CCM18;25;;;;;;;;;;;-17.9;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;DPhPC;CCM18;25;;;;;;;;;;;-18.7;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
9,10-dimethoxyanthracene-2-sulfonate;MM15242;COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12;FAYVAXYICXQWOP-UHFFFAOYSA-M;317.34;2.91;;;;;DPhPC;CCM18;25;;;;;;;;;;;-19.3;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;DPhPC;CCM18;25;;;;;;;;;;;-20;;;;;;;;;;;;"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018";"Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;CACO;QSAR-PSA;25;;;;;;;;;;;-5.065;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;CACO;QSAR-PSA;25;;;;;;;;;;;-4.184;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;CACO;QSAR-PSA;25;;;;;;;;;;;-4.31;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;CACO;QSAR-PSA;25;;;;;;;;;;;-4.879;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;CACO;QSAR-PSA;25;;;;;;;;;;;-3.803;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Timolol Ester";MM15244;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-5.331;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;QSAR-PSA;25;;;;;;;;;;;-4.491;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Oxprenolol Ester";MM15245;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.756;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Alprenolol Ester";MM15246;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.61;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;CACO;QSAR-PSA;25;;;;;;;;;;;-5.859;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;QSAR-PSA;25;;;;;;;;;;;-4.728;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;CACO;QSAR-PSA;25;;;;;;;;;;;-4.659;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;CACO;QSAR-PSA;25;;;;;;;;;;;-4.203;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;CACO;QSAR-PSA;25;;;;;;;;;;;-4.696;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;CACO;QSAR-PSA;25;;;;;;;;;;;-4.149;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;CACO;QSAR-PSA;25;;;;;;;;;;;-6.647;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;CACO;QSAR-PSA;25;;;;;;;;;;;-5.65;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Fluparoxan;MM01538;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.132;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;QSAR-PSA;25;;;;;;;;;;;-5.705;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;QSAR-PSA;25;;;;;;;;;;;-4.515;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;CACO;QSAR-PSA;25;;;;;;;;;;;-5.421;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;CACO;QSAR-PSA;25;;;;;;;;;;;-5.233;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;QSAR-PSA;25;;;;;;;;;;;-5.109;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;CACO;QSAR-PSA;25;;;;;;;;;;;-5.558;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Penicillin V";MM01544;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-5.436;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;CACO;QSAR-PSA;25;;;;;;;;;;;-4.68;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;CACO;QSAR-PSA;25;;;;;;;;;;;-4.398;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;CACO;QSAR-PSA;25;;;;;;;;;;;-4.19;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;CACO;QSAR-PSA;25;;;;;;;;;;;-4.999;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;CACO;QSAR-PSA;25;;;;;;;;;;;-5.415;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;QSAR-PSA;25;;;;;;;;;;;-5.688;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;CACO;QSAR-PSA;25;;;;;;;;;;;-6.159;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Loracarbef;MM01552;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CCC12)c1ccccc1;JAPHQRWPEGVNBT-UHFFFAOYSA-N;349.77;0.71;5284585;;;CHEMBL1013;CACO;QSAR-PSA;25;;;;;;;;;;;-5.65;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cefatrizine;MM00719;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CSC12)c1ccc(O)cc1;UOCJDOLVGGIYIQ-PBFPGSCMSA-N;462.51;0.04;6410758;;;CHEMBL1095284;CACO;QSAR-PSA;25;;;;;;;;;;;-7.055;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;QSAR-PSA;25;;;;;;;;;;;-6.204;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;CACO;QSAR-PSA;25;;;;;;;;;;;-5.375;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;CACO;QSAR-PSA;25;;;;;;;;;;;-5.727;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;CACO;QSAR-PSA;25;;;;;;;;;;;-6.029;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;CACO;QSAR-PSA;25;;;;;;;;;;;-4.32;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;QSAR-PSA;25;;;;;;;;;;;-5.253;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;CACO;QSAR-PSA;25;;;;;;;;;;;-6.412;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Glutamine;MM00748;NC(=O)CC[C@H](N)C(=O)O;ZDXPYRJPNDTMRX-VKHMYHEASA-N;146.15;-1.34;5961;DB00130;GLN;CHEMBL930;CACO;QSAR-PSA;25;;;;;;;;;;;-5.065;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;CACO;QSAR-PSA;25;;;;;;;;;;;-5.143;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Azithromycin;MM12580;CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-7.163;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;CACO;QSAR-PSA;25;;;;;;;;;;;-4.41;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CACO;QSAR-PSA;25;;;;;;;;;;;-7.552;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;CACO;QSAR-PSA;25;;;;;;;;;;;-4.3;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;CACO;QSAR-PSA;25;;;;;;;;;;;-5.631;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;QSAR-PSA;25;;;;;;;;;;;-5.284;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;CACO;QSAR-PSA;25;;;;;;;;;;;-7.357;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;CACO;QSAR-PSA;25;;;;;;;;;;;-6.5;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
H216;MM15248;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-5.929;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;CACO;QSAR-PSA;25;;;;;;;;;;;-7.182;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Dnalaprilate;MM15249;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-5.507;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Penicillin G";MM01494;CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O;JGSARLDLIJGVTE-UHFFFAOYSA-N;334.4;0.86;5904;" DB01053";;CHEMBL29;CACO;QSAR-PSA;25;;;;;;;;;;;-5.264;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;QSAR-PSA;25;;;;;;;;;;;-4.811;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
H95;MM15250;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.807;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;QSAR-PSA;25;;;;;;;;;;;-5.309;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;CACO;QSAR-PSA;25;;;;;;;;;;;-3.978;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;QSAR-PSA;25;;;;;;;;;;;-4.096;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;CACO;QSAR-PSA;25;;;;;;;;;;;-4.973;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;CACO;QSAR-PSA;25;;;;;;;;;;;-4.345;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;QSAR-PSA;25;;;;;;;;;;;-4.619;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;QSAR-PSA;25;;;;;;;;;;;-4.337;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;CACO;QSAR-PSA;25;;;;;;;;;;;-4.627;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Tenidap;MM15222;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-5.073;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Ibuprufen;MM15251;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.153;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;CACO;QSAR-PSA;25;;;;;;;;;;;-4.512;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;QSAR-PSA;25;;;;;;;;;;;-4.353;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;QSAR-PSA;25;;;;;;;;;;;-4.375;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Betaxolol Ester";MM15252;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.842;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Propranolol Ester";MM15253;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.596;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;CACO;QSAR-PSA;25;;;;;;;;;;;-4.329;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Guanosine;MM15254;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.194;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6700;MM15255;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.114;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6249;MM15256;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.058;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6191;MM15257;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.297;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6262;MM15258;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.092;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6703;MM15259;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.228;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;CACO;QSAR-PSA;25;;;;;;;;;;;-5.527;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;QSAR-PSA;25;;;;;;;;;;;-5.092;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;QSAR-PSA;25;;;;;;;;;;;-5.486;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;CACO;QSAR-PSA;25;;;;;;;;;;;-4.933;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6203;MM15260;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-6.186;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
H244;MM15261;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-4.881;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;CACO;QSAR-PSA;25;;;;;;;;;;;-5.077;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"(E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)prop-2-enoic acid";MM01431;CSc1ccc2ncn(C=CC(=O)O)c(=O)c2c1;VHFPVEGFRVEDBK-UHFFFAOYSA-N;262.29;1.67;6435375;;;CHEMBL337379;CACO;QSAR-PSA;25;;;;;;;;;;;-4.754;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Mibefradil;MM01432;COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2C1C(C)C;HBNPJJILLOYFJU-UHFFFAOYSA-N;495.64;5.27;60663;DB01388;;CHEMBL45816;CACO;QSAR-PSA;25;;;;;;;;;;;-5.382;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Fleroxacin;MM00736;CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1;XBJBPGROQZJDOJ-UHFFFAOYSA-N;369.34;1.7;3357;DB04576;;CHEMBL6273;CACO;QSAR-PSA;25;;;;;;;;;;;-5.033;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Nitrendipine;MM00398;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1;PVHUJELLJLJGLN-UHFFFAOYSA-N;360.37;2.57;4507;DB01054;;CHEMBL475534;CACO;QSAR-PSA;25;;;;;;;;;;;-5.502;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine;MM01430;NC(N)=NCC1COc2ccccc2O1;HIUVKVDQFXDZHU-UHFFFAOYSA-N;207.23;0.31;16564;" DB13211";;CHEMBL76725;CACO;QSAR-PSA;25;;;;;;;;;;;-4.9;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;CACO;QSAR-PSA;25;;;;;;;;;;;-5.559;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Felodipine;MM00363;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl;RZTAMFZIAATZDJ-UHFFFAOYSA-N;384.26;3.96;3333;DB01023;;CHEMBL1480;CACO;QSAR-PSA;25;;;;;;;;;;;-4.914;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Fluconazole;MM12535;OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F;RFHAOTPXVQNOHP-UHFFFAOYSA-N;306.28;0.74;3365;;;CHEMBL106;CACO;QSAR-PSA;25;;;;;;;;;;;-5.137;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Trovaflaxicin;MM15262;;;;;;;;;CACO;QSAR-PSA;25;;;;;;;;;;;-5.646;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;QSAR-PSA;25;;;;;;;;;;;-4.694;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;CACO;QSAR-PSA;25;;;;;;;;;;;-5.068;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;QSAR-PSA;25;;;;;;;;;;;-4.603;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;QSAR-PSA;25;;;;;;;;;;;-3.928;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;CACO;QSAR-PSA;25;;;;;;;;;;;-4.945;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;QSAR-PSA;25;;;;;;;;;;;-4.382;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;CACO;QSAR-PSA;25;;;;;;;;;;;-5.206;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;CACO;QSAR-PSA;25;;;;;;;;;;;-4.478;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;QSAR-PSA;25;;;;;;;;;;;-4.228;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;CACO;QSAR-PSA;25;;;;;;;;;;;-4.678;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;QSAR-PSA;25;;;;;;;;;;;-5.423;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;CACO;QSAR-PSA;25;;;;;;;;;;;-5.094;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;QSAR-PSA;25;;;;;;;;;;;-5.053;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;CACO;QSAR-PSA;25;;;;;;;;;;;-6.487;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;CACO;QSAR-PSA;25;;;;;;;;;;;-5.536;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;CACO;QSAR-PSA;25;;;;;;;;;;;-3.989;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;CACO;QSAR-PSA;25;;;;;;;;;;;-4.236;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;CACO;QSAR-PSA;25;;;;;;;;;;;-4.468;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;CACO;QSAR-HB;25;;;;;;;;;;;-4.273;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;CACO;QSAR-HB;25;;;;;;;;;;;-5.512;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;CACO;QSAR-HB;25;;;;;;;;;;;-3.954;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;CACO;QSAR-HB;25;;;;;;;;;;;-3.908;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;CACO;QSAR-HB;25;;;;;;;;;;;-1.792;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Timolol Ester";MM15244;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-3.712;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;QSAR-HB;25;;;;;;;;;;;-4.978;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Oxprenolol Ester";MM15245;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-4.369;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Alprenolol Ester";MM15246;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-4.671;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Olsalazine;MM01437;O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O;QQBDLJCYGRGAKP-FOCLMDBBSA-N;302.24;2.91;22419;DB01250;;CHEMBL1201013;CACO;QSAR-HB;25;;;;;;;;;;;-3.668;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;QSAR-HB;25;;;;;;;;;;;-4.394;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;CACO;QSAR-HB;25;;;;;;;;;;;-4.176;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;CACO;QSAR-HB;25;;;;;;;;;;;-4.896;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;CACO;QSAR-HB;25;;;;;;;;;;;-4.39;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;CACO;QSAR-HB;25;;;;;;;;;;;-4.572;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cefuroxime;MM01507;CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1;JFPVXVDWJQMJEE-UHFFFAOYSA-N;424.39;-0.54;5479529;;;CHEMBL1436;CACO;QSAR-HB;25;;;;;;;;;;;-5.477;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;CACO;QSAR-HB;25;;;;;;;;;;;-4.691;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Fluparoxan;MM01538;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-3.476;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;CACO;QSAR-HB;25;;;;;;;;;;;-4.238;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;QSAR-HB;25;;;;;;;;;;;-4.242;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;CACO;QSAR-HB;25;;;;;;;;;;;-6.599;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;CACO;QSAR-HB;25;;;;;;;;;;;-3.778;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;QSAR-HB;25;;;;;;;;;;;-5.309;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;CACO;QSAR-HB;25;;;;;;;;;;;-6.106;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Penicillin V";MM01544;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-5.29;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;CACO;QSAR-HB;25;;;;;;;;;;;-4.889;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;CACO;QSAR-HB;25;;;;;;;;;;;-4.099;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;CACO;QSAR-HB;25;;;;;;;;;;;-4.608;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;CACO;QSAR-HB;25;;;;;;;;;;;-4.85;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;CACO;QSAR-HB;25;;;;;;;;;;;-5.601;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;QSAR-HB;25;;;;;;;;;;;-5.124;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;CACO;QSAR-HB;25;;;;;;;;;;;-6.689;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Loracarbef;MM01552;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CCC12)c1ccccc1;JAPHQRWPEGVNBT-UHFFFAOYSA-N;349.77;0.71;5284585;;;CHEMBL1013;CACO;QSAR-HB;25;;;;;;;;;;;-6.579;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cefatrizine;MM00719;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CSC12)c1ccc(O)cc1;UOCJDOLVGGIYIQ-PBFPGSCMSA-N;462.51;0.04;6410758;;;CHEMBL1095284;CACO;QSAR-HB;25;;;;;;;;;;;-6.552;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;QSAR-HB;25;;;;;;;;;;;-3.679;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;CACO;QSAR-HB;25;;;;;;;;;;;-5.34;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;CACO;QSAR-HB;25;;;;;;;;;;;-4;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;CACO;QSAR-HB;25;;;;;;;;;;;-6.38;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;CACO;QSAR-HB;25;;;;;;;;;;;-4.785;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;QSAR-HB;25;;;;;;;;;;;-5.998;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;CACO;QSAR-HB;25;;;;;;;;;;;-7.691;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Glutamine;MM00748;NC(=O)CC[C@H](N)C(=O)O;ZDXPYRJPNDTMRX-VKHMYHEASA-N;146.15;-1.34;5961;DB00130;GLN;CHEMBL930;CACO;QSAR-HB;25;;;;;;;;;;;-6.409;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;CACO;QSAR-HB;25;;;;;;;;;;;-5.474;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Azithromycin;MM12580;CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-7.033;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;CACO;QSAR-HB;25;;;;;;;;;;;-4.817;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CACO;QSAR-HB;25;;;;;;;;;;;-7.272;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;CACO;QSAR-HB;25;;;;;;;;;;;-1.296;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;CACO;QSAR-HB;25;;;;;;;;;;;-6.384;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;QSAR-HB;25;;;;;;;;;;;-5.524;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;CACO;QSAR-HB;25;;;;;;;;;;;-6.789;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;CACO;QSAR-HB;25;;;;;;;;;;;-4.24;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
H216;MM15248;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-6.973;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;CACO;QSAR-HB;25;;;;;;;;;;;-6.772;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Dnalaprilate;MM15249;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-5.661;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Penicillin G";MM01494;CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O;JGSARLDLIJGVTE-UHFFFAOYSA-N;334.4;0.86;5904;" DB01053";;CHEMBL29;CACO;QSAR-HB;25;;;;;;;;;;;-5.398;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;QSAR-HB;25;;;;;;;;;;;-6.047;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
H95;MM15250;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-5.287;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;QSAR-HB;25;;;;;;;;;;;-4.595;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;CACO;QSAR-HB;25;;;;;;;;;;;-4.601;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;QSAR-HB;25;;;;;;;;;;;-4.627;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Naloxone;MM00277;C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5;UZHSEJADLWPNLE-UHFFFAOYSA-N;327.38;1.3;5284596;DB01183;;CHEMBL80;CACO;QSAR-HB;25;;;;;;;;;;;-4.885;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;CACO;QSAR-HB;25;;;;;;;;;;;-4.094;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;QSAR-HB;25;;;;;;;;;;;-4.752;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;QSAR-HB;25;;;;;;;;;;;-4.01;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;MM00922;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;NWIUTZDMDHAVTP-UHFFFAOYSA-N;307.43;2.39;2369;DB00195;;CHEMBL423;CACO;QSAR-HB;25;;;;;;;;;;;-4.546;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Tenidap;MM15222;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-4.584;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Ibuprufen;MM15251;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-3.969;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;CACO;QSAR-HB;25;;;;;;;;;;;-4.24;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;QSAR-HB;25;;;;;;;;;;;-4.234;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;QSAR-HB;25;;;;;;;;;;;-4.035;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Betaxolol Ester";MM15252;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-4.27;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Propranolol Ester";MM15253;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-4.452;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;CACO;QSAR-HB;25;;;;;;;;;;;-3.985;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Guanosine;MM15254;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-7.53;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6700;MM15255;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-6.678;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6249;MM15256;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-6.681;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6191;MM15257;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-7.557;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6262;MM15258;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-6.848;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6703;MM15259;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-6.805;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;CACO;QSAR-HB;25;;;;;;;;;;;-5.356;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;QSAR-HB;25;;;;;;;;;;;-6.494;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;QSAR-HB;25;;;;;;;;;;;-5.353;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;CACO;QSAR-HB;25;;;;;;;;;;;-6.193;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
G6203;MM15260;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-6.072;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
H244;MM15261;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-5.47;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;CACO;QSAR-HB;25;;;;;;;;;;;-2.741;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"(E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)prop-2-enoic acid";MM01431;CSc1ccc2ncn(C=CC(=O)O)c(=O)c2c1;VHFPVEGFRVEDBK-UHFFFAOYSA-N;262.29;1.67;6435375;;;CHEMBL337379;CACO;QSAR-HB;25;;;;;;;;;;;-3.245;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Mibefradil;MM01432;COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2C1C(C)C;HBNPJJILLOYFJU-UHFFFAOYSA-N;495.64;5.27;60663;DB01388;;CHEMBL45816;CACO;QSAR-HB;25;;;;;;;;;;;-4.316;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Fleroxacin;MM00736;CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1;XBJBPGROQZJDOJ-UHFFFAOYSA-N;369.34;1.7;3357;DB04576;;CHEMBL6273;CACO;QSAR-HB;25;;;;;;;;;;;-3.928;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Nitrendipine;MM00398;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1;PVHUJELLJLJGLN-UHFFFAOYSA-N;360.37;2.57;4507;DB01054;;CHEMBL475534;CACO;QSAR-HB;25;;;;;;;;;;;-5.443;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine;MM01430;NC(N)=NCC1COc2ccccc2O1;HIUVKVDQFXDZHU-UHFFFAOYSA-N;207.23;0.31;16564;" DB13211";;CHEMBL76725;CACO;QSAR-HB;25;;;;;;;;;;;-5.597;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;CACO;QSAR-HB;25;;;;;;;;;;;-4.831;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Felodipine;MM00363;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl;RZTAMFZIAATZDJ-UHFFFAOYSA-N;384.26;3.96;3333;DB01023;;CHEMBL1480;CACO;QSAR-HB;25;;;;;;;;;;;-4.94;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Fluconazole;MM12535;OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F;RFHAOTPXVQNOHP-UHFFFAOYSA-N;306.28;0.74;3365;;;CHEMBL106;CACO;QSAR-HB;25;;;;;;;;;;;-3.518;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Trovaflaxicin;MM15262;;;;;;;;;CACO;QSAR-HB;25;;;;;;;;;;;-4.134;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;QSAR-HB;25;;;;;;;;;;;-3.98;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;CACO;QSAR-HB;25;;;;;;;;;;;-4.37;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;CACO;QSAR-HB;25;;;;;;;;;;;-4.181;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;QSAR-HB;25;;;;;;;;;;;-3.745;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;CACO;QSAR-HB;25;;;;;;;;;;;-4.625;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;QSAR-HB;25;;;;;;;;;;;-3.4;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;CACO;QSAR-HB;25;;;;;;;;;;;-6.635;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;CACO;QSAR-HB;25;;;;;;;;;;;-4.822;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;CACO;QSAR-HB;25;;;;;;;;;;;-3.39;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;CACO;QSAR-HB;25;;;;;;;;;;;-3.669;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;CACO;QSAR-HB;25;;;;;;;;;;;-5.1;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;CACO;QSAR-HB;25;;;;;;;;;;;-3.323;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;QSAR-HB;25;;;;;;;;;;;-4.566;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;CACO;QSAR-HB;25;;;;;;;;;;;-6.922;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;MM00547;COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC;IENZQIKPVFGBNW-UHFFFAOYSA-N;383.41;1.78;4893;DB00457;XRA;CHEMBL2;CACO;QSAR-HB;25;;;;;;;;;;;-5.204;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;CACO;QSAR-HB;25;;;;;;;;;;;-4.595;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;CACO;QSAR-HB;25;;;;;;;;;;;-4.099;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;CACO;QSAR-HB;25;;;;;;;;;;;-5.231;;;;;;;;;;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006";"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
MM23460;MM23460;CC;OTMSDBZUPAUEDD-UHFFFAOYSA-N;30.07;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23461;MM23461;CC=NN=CC(C)C#N;XCMMMGHGSWDKSW-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23462;MM23462;CF;NBVXSUQYWXRMNV-UHFFFAOYSA-N;34.03;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23463;MM23463;FF;PXGOKWXKJXAPGV-UHFFFAOYSA-N;38;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23464;MM23464;C=C;VGGSQFUCUMXWEO-UHFFFAOYSA-N;28.05;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23465;MM23465;C=O;WSFSSNUMVMOOMR-UHFFFAOYSA-N;30.03;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Molecular Oxygen";MM11137;O=O;MYMOFIZGZYHOMD-UHFFFAOYSA-N;32;0.07;977;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23466;MM23466;C#C;HSFWRNGVRCDJHI-UHFFFAOYSA-N;26.04;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23467;MM23467;CCC;ATUOYWHBWRKTHZ-UHFFFAOYSA-N;44.1;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23468;MM23468;CC=NN=CC=O;UZTFOYMCTAHWBC-UHFFFAOYSA-N;98.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23469;MM23469;CCF;UHCBBWUQDAVSMS-UHFFFAOYSA-N;48.06;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23470;MM23470;FCF;RWRIWBAIICGTTQ-UHFFFAOYSA-N;52.02;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23471;MM23471;CON=CC(=O)C#N;BHVIBLKRIVPMTF-UHFFFAOYSA-N;112.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23472;MM23472;COC;LCGLNKUTAGEVQW-UHFFFAOYSA-N;46.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23473;MM23473;C=CC;QQONPFPTGQHPMA-UHFFFAOYSA-N;42.08;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23474;MM23474;CC=O;IKHGUXGNUITLKF-UHFFFAOYSA-N;44.05;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23475;MM23475;CC#N;WEVYAHXRMPXWCK-UHFFFAOYSA-N;41.05;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23476;MM23476;C=NN=CN(C=O)OC;OUVQYBDWOUTFAH-UHFFFAOYSA-N;129.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Formic Acid";MM00649;O=CO;BDAGIHXWWSANSR-UHFFFAOYSA-N;46.03;-0.3;284;DB01942;FMT;CHEMBL116736;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23477;MM23477;C=CF;XUCNUKMRBVNAPB-UHFFFAOYSA-N;46.04;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23478;MM23478;CN(C)N(C=O)C(=O)C#N;QVTDXNYPIMMCNP-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23479;MM23479;C=NO;SQDFHQJTAWCFIB-UHFFFAOYSA-N;45.04;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23480;MM23480;C#CC;MWWATHDPGQKSAR-UHFFFAOYSA-N;40.07;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23481;MM23481;C1CC1;LVZWSLJZHVFIQJ-UHFFFAOYSA-N;42.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23482;MM23482;CC=NN=COC;SJIGXLPXARRVMT-UHFFFAOYSA-N;100.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23483;MM23483;C1CO1;IAYPIBMASNFSPL-UHFFFAOYSA-N;44.05;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23484;MM23484;CC(C)C;NNPPMTNAJDCUHE-UHFFFAOYSA-N;58.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23485;MM23485;C=NN=COCOC;LXIVWAVNTWKLOC-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23486;MM23486;CC(F)(C#CC=NO)CN;OMEGXXIBQUOSBB-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23487;MM23487;CC(C)F;PRNZBCYBKGCOFI-UHFFFAOYSA-N;62.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23488;MM23488;CC(F)F;NPNPZTNLOVBDOC-UHFFFAOYSA-N;66.05;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23489;MM23489;FC(F)F;XPDWGBQVDMORPB-UHFFFAOYSA-N;70.01;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23490;MM23490;CCNC(N)=CC(=O)C=O;LWMWVBFVRHRTOS-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23491;MM23491;C=C(C)C;VQTUBCCKSQIDNK-UHFFFAOYSA-N;56.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23492;MM23492;CC(C)=O;CSCPPACGZOOCGX-UHFFFAOYSA-N;58.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23493;MM23493;C=NN=CC(=O)N(C)C=O;BHOQXUKCQSQVKZ-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23494;MM23494;C=CCC(C#CCN)=NO;XIMIVAHBVWYMBL-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23495;MM23495;C=C(C)F;NGOCAPPEAVAHQM-UHFFFAOYSA-N;60.07;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23496;MM23496;C#CC(=C)C(C=O)=C(N)N;JSFZVPQBESUAKC-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23497;MM23497;O=C(O)O;BVKZGUZCCUSVTD-UHFFFAOYSA-N;62.02;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23498;MM23498;C=C(F)F;BQCIDUSAKPWEOX-UHFFFAOYSA-N;64.03;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23499;MM23499;CCCC;IJDNQMDRQITEOD-UHFFFAOYSA-N;58.12;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23500;MM23500;C=NN=C(COC)OC;USCLXUXPWXTTTN-UHFFFAOYSA-N;130.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23501;MM23501;C#CC(O)(C#C)C#CCN;JDJFCIGINBWYPC-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23502;MM23502;CCCF;JRHNUZCXXOTJCA-UHFFFAOYSA-N;62.09;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23503;MM23503;COCCC(=O)N(C)C;LBVMWHCOFMFPEG-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23504;MM23504;CN=C(C=CC=NO)NO;FGLWNAHQFYMWNP-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23505;MM23505;C=CN(C=NC=O)OC;WLYWRYATFIENBK-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23506;MM23506;OCCF;GGDYAKVUZMZKRV-UHFFFAOYSA-N;64.06;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23507;MM23507;FCCF;AHFMSNDOYCFEPH-UHFFFAOYSA-N;66.05;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23508;MM23508;C=NN=COC=NN=C;IQLZOFIOWDMJTH-UHFFFAOYSA-N;126.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23509;MM23509;CCOC;XOBKSJJDNFUZPF-UHFFFAOYSA-N;60.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23510;MM23510;C=CCC;VXNZUUAINFGPBY-UHFFFAOYSA-N;56.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23511;MM23511;CCC=O;NBBJYMSMWIIQGU-UHFFFAOYSA-N;58.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23512;MM23512;CCC#N;FVSKHRXBFJPNKK-UHFFFAOYSA-N;55.08;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23513;MM23513;C#CC(C=O)=NN(C)C=O;KGROJQUBGXTSBF-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23514;MM23514;C=CCO;XXROGKLTLUQVRX-UHFFFAOYSA-N;58.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23515;MM23515;O=CCO;WGCNASOHLSPBMP-UHFFFAOYSA-N;60.05;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23516;MM23516;N#CCO;LTYRAPJYLUPLCI-UHFFFAOYSA-N;57.05;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23517;MM23517;C=CCF;QCMKXHXKNIOBBC-UHFFFAOYSA-N;60.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23518;MM23518;O=CCF;YYDWYJJLVYDJLV-UHFFFAOYSA-N;62.04;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23519;MM23519;N#CCF;GNFVFPBRMLIKIM-UHFFFAOYSA-N;59.04;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23520;MM23520;CN(C)C(=O)CCC#N;MNNRVKYWRKJNKK-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23521;MM23521;C=NNC(=CC=NO)CN;UDECJUUCXCJTHC-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23522;MM23522;C=COC(C=O)=CN(C)C;VBHMBFXCECQKCX-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23523;MM23523;C=CC(=N)NC=NO;GJWUKTCHGVYJTJ-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23524;MM23524;CN(C)C(CO)=NCC#N;HBDFEQYBFSLQFI-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23525;MM23525;O=CNO;KDGKTJGPFXIBEB-UHFFFAOYSA-N;61.04;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23526;MM23526;CC#CC(=O)C(C)=C(N)N;QZQLKXRGBRXNQT-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23527;MM23527;C=COC;XJRBAMWJDBPFIM-UHFFFAOYSA-N;58.08;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23528;MM23528;COC=O;TZIHFWKZFHZASV-UHFFFAOYSA-N;60.05;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23529;MM23529;CC=NN=C(C)OC;YWEPZADOHHKINL-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23530;MM23530;C#CCC;KDKYADYSIPSCCQ-UHFFFAOYSA-N;54.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23531;MM23531;COC(=O)ON=CC=O;BZLWIGAHQCHUAS-UHFFFAOYSA-N;131.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23532;MM23532;C#CCO;TVDSBUOJIPERQY-UHFFFAOYSA-N;56.06;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23533;MM23533;C#CCF;QEMMTKPYWRKLME-UHFFFAOYSA-N;58.06;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23534;MM23534;C=CC=C;KAKZBPTYRLMSJV-UHFFFAOYSA-N;54.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23535;MM23535;C=CC=O;HGINCPLSRVDWNT-UHFFFAOYSA-N;56.06;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23536;MM23536;C=CC#N;NLHHRLWOUZZQLW-UHFFFAOYSA-N;53.06;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23537;MM23537;O=CC=O;LEQAOMBKQFMDFZ-UHFFFAOYSA-N;58.04;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23538;MM23538;N#CC=O;TUHMQDODLHWPCC-UHFFFAOYSA-N;55.04;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23539;MM23539;N#CC#N;JMANVNJQNLATNU-UHFFFAOYSA-N;52.04;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23540;MM23540;CN(C=O)C(=N)C=O;MIBVMRMPGBYJPZ-UHFFFAOYSA-N;114.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23541;MM23541;C#CC=C;WFYPICNXBKQZGB-UHFFFAOYSA-N;52.08;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23542;MM23542;C#CC=O;IJNJLGFTSIAHEA-UHFFFAOYSA-N;54.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23543;MM23543;C#CC#N;LNDJVIYUJOJFSO-UHFFFAOYSA-N;51.05;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23544;MM23544;C#CC#C;LLCSWKVOHICRDD-UHFFFAOYSA-N;50.06;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23545;MM23545;CC=CC;IAQRGUVFOMOMEM-UHFFFAOYSA-N;56.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23546;MM23546;CC=CF;VJGCZWVJDRIHNC-UHFFFAOYSA-N;60.07;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23547;MM23547;FC=CF;WFLOTYSKFUPZQB-UHFFFAOYSA-N;64.03;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23548;MM23548;CON=C(C#N)OC;XZVITCZOAWUSAS-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23549;MM23549;CC=NO;FZENGILVLUJGJX-UHFFFAOYSA-N;59.07;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23550;MM23550;CC#CC;XNMQEEKYCVKGBD-UHFFFAOYSA-N;54.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23551;MM23551;CC1CC1;VNXBKJFUJUWOCW-UHFFFAOYSA-N;56.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23552;MM23552;C=COCOC=NN=C;YKVKXMYHAHPTQD-UHFFFAOYSA-N;128.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23553;MM23553;OC1CC1;YOXHCYXIAVIFCZ-UHFFFAOYSA-N;58.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23554;MM23554;FC1CC1;XAVRRVJJYIFROR-UHFFFAOYSA-N;60.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23555;MM23555;CC(=O)N1CC1;OTIXUSNHAKOJBX-UHFFFAOYSA-N;85.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23556;MM23556;CC1CO1;GOOHAUXETOMSMM-UHFFFAOYSA-N;58.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23557;MM23557;C#CC(=O)N(C)CCF;IWGCNENLOFRWSC-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23558;MM23558;CC(C)(C)C;CRSOQBOWXPBRES-UHFFFAOYSA-N;72.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23559;MM23559;C=NN=C(CC)C(=O)C=O;FINXIKRVBXJYDP-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23560;MM23560;C=C(C(O)C#N)C(C)NC;PYRKXJQKMXPGTR-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23561;MM23561;CC(C)(C)F;GSMZLBOYBDRGBN-UHFFFAOYSA-N;76.11;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23562;MM23562;CC(C)(F)F;YZXSQDNPKVBDOG-UHFFFAOYSA-N;80.08;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23563;MM23563;CC(F)(F)F;UJPMYEOUBPIPHQ-UHFFFAOYSA-N;84.04;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23564;MM23564;FC(F)(F)F;TXEYQDLBPFQVAA-UHFFFAOYSA-N;88;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23565;MM23565;CCC(C)C;QWTDNUCVQCZILF-UHFFFAOYSA-N;72.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23566;MM23566;C=NN=C(C)N(C=O)OC;FTBZPRZZMKPJPT-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23567;MM23567;CC#CC(O)C(F)CNC;ZPGVZYFLWZCNQK-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23568;MM23568;CC(C)CF;WGCJTTUVWKJDAX-UHFFFAOYSA-N;76.11;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23569;MM23569;C#CC(=O)N(C)C;NYABMBZLFIIBCU-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23570;MM23570;CC(CF)C(=O)N(C)C;OCGRVDPBXKPUQM-UHFFFAOYSA-N;133.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23571;MM23571;C=CCNCCC(O)C#N;DBTZBRATPVMSHS-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23572;MM23572;C#CC(C)=NN=C;WYFCPAZEQORUJB-UHFFFAOYSA-N;94.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23573;MM23573;CC(O)(CC#N)C(=N)NO;RYFFXTIORKGOMY-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Propylene Glycol";MM00414;CC(O)CO;DNIAPMSPPWPWGF-UHFFFAOYSA-N;76.1;-0.64;1030;DB01839;;CHEMBL286398;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23574;MM23574;CC(O)CF;WPUWNCWLDZMYSC-UHFFFAOYSA-N;78.09;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23575;MM23575;CCC(C)F;IXHWZHXLJJPXIS-UHFFFAOYSA-N;76.11;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23576;MM23576;CNC(C=O)=CC#N;NJLWXXPXAFBSIT-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23577;MM23577;CC(F)CO;WKXZJCKWUCBECD-UHFFFAOYSA-N;78.09;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23578;MM23578;CC(F)CF;OFHQVNFSKOBBGG-UHFFFAOYSA-N;80.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23579;MM23579;CCC(F)F;CTJAKAQLCQKBTC-UHFFFAOYSA-N;80.08;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23580;MM23580;CC=NN=CN(C)C=O;DGVFPUKAJCBNHQ-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23581;MM23581;OCC(F)F;VOGSDFLJZPNWHY-UHFFFAOYSA-N;82.05;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23582;MM23582;FCC(F)F;WGZYQOSEVSXDNI-UHFFFAOYSA-N;84.04;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23583;MM23583;CN(C)C(=O)CC=CC=O;IGOVGIQYIWFBIO-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23584;MM23584;COC(C)C;RMGHERXMTMUMMV-UHFFFAOYSA-N;74.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23585;MM23585;CC=NN=COCC;YSROSWFAJBHOQJ-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23586;MM23586;C=CC(C)C;YHQXBTXEYZIYOV-UHFFFAOYSA-N;70.14;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23587;MM23587;CC(C)C=O;AMIMRNSIRUDHCM-UHFFFAOYSA-N;72.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23588;MM23588;CC(C)C#N;LRDFRRGEGBBSRN-UHFFFAOYSA-N;69.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23589;MM23589;C=NN=C(C=O)COC;QCUQNDSLQSBIHK-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23590;MM23590;C#CC(O)CC(=NC)NO;IUHNDLJAIFJPCZ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23591;MM23591;CC(O)C=O;BSABBBMNWQWLLU-UHFFFAOYSA-N;74.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23592;MM23592;CC(O)C#N;WOFDVDFSGLBFAC-UHFFFAOYSA-N;71.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23593;MM23593;C=CC(C)F;QFGLWXVQAHHQEZ-UHFFFAOYSA-N;74.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23594;MM23594;CC(F)C=O;HFURQLWNYUCPHT-UHFFFAOYSA-N;76.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23595;MM23595;CC(F)C#N;AGXGUDDRNCJGQW-UHFFFAOYSA-N;73.07;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23596;MM23596;C=CC(F)F;BUMFHKJRHRUGNU-UHFFFAOYSA-N;78.06;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,2-difluoroacetaldehyde;MM02194;O=CC(F)F;DKNMRIXYSHIIGC-UHFFFAOYSA-N;80.03;0.45;9942119;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23597;MM23597;N#CC(F)F;DQFXLCKTFSDWHB-UHFFFAOYSA-N;77.03;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23598;MM23598;CON=C(C#N)C(C)F;ISGIQSFNBRQMRZ-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23599;MM23599;CC(=O)N(C)C(C)(C)C#N;YYLOGLBIPLZWSC-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23600;MM23600;C=CC#CC(=O)C=C(N)N;XBZMNTCIIAFSDM-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23601;MM23601;COCC#CC(=O)N(C)C;OMYPTNJTHUOJCD-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23602;MM23602;CCCCN=CNNC=O;HIRDNBNEGGHKOJ-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23603;MM23603;CN(O)C=O;TZAZXQZADJAQFS-UHFFFAOYSA-N;75.07;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23604;MM23604;CN(C=O)CC#N;PJTLDPJEKNQIMJ-UHFFFAOYSA-N;98.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23605;MM23605;C#CC(C)C;USCSRAJGJYMJFZ-UHFFFAOYSA-N;68.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23606;MM23606;C=CCC(=O)N(C)C;CJVMAMILAMIPCO-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23607;MM23607;C#CC(C)O;GKPOMITUDGXOSB-UHFFFAOYSA-N;70.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23608;MM23608;C#CC(C)F;HKTPSDLWBRPMQC-UHFFFAOYSA-N;72.08;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23609;MM23609;C#CC(F)F;ZCSBOJDDMSHDGG-UHFFFAOYSA-N;76.05;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23610;MM23610;C=C(C)CC;MHNNAWXXUZQSNM-UHFFFAOYSA-N;70.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23611;MM23611;C#CC(C=O)=NOC=O;WHEOGLVTWUOVCK-UHFFFAOYSA-N;125.08;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23612;MM23612;C=C(C)CO;BYDRTKVGBRTTIT-UHFFFAOYSA-N;72.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23613;MM23613;C=C(C)CF;JSUAVFIULBAVFU-UHFFFAOYSA-N;74.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Butanone;MM00791;CCC(C)=O;ZWEHNKRNPOVVGH-UHFFFAOYSA-N;72.11;0.99;6569;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23614;MM23614;CC(=O)CO;XLSMFKSTNGKWQX-UHFFFAOYSA-N;74.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23615;MM23615;CC(=O)CF;MSWVMWGCNZQPIA-UHFFFAOYSA-N;76.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23616;MM23616;CC#CC(C=O)=C(N)NC;KOVFXLBYIZVPEB-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23617;MM23617;C#CC(C=C)N(C)C(C)=O;MGGHSHGKSZUNSI-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23618;MM23618;CNN=CN(O)C(=N)NN;KAANXUMWBOJSNO-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23619;MM23619;CN(C)C(=O)C(C#N)=CF;ORABRHQGDSOKRO-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23620;MM23620;C=C(CC#N)N(O)C=N;NHPVLVRSEKKVSA-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23621;MM23621;C=NN=CN(O)C=CCN;GGMDGQSPSQMUMB-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23622;MM23622;NC(=O)CO;TZGPACAKMCUCKX-UHFFFAOYSA-N;75.07;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23623;MM23623;NC(=O)CF;FVTWJXMFYOXOKK-UHFFFAOYSA-N;77.06;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Propionic Acid";MM00685;CCC(=O)O;XBDQKXXYIPTUBI-UHFFFAOYSA-N;74.08;0.48;1032;DB03766;PPI;CHEMBL14021;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23624;MM23624;O=C(O)CO;AEMRFAOFKBGASW-UHFFFAOYSA-N;76.05;-0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23625;MM23625;O=C(O)CF;QEWYKACRFQMRMB-UHFFFAOYSA-N;78.04;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23626;MM23626;C=C(F)CC;MRZVFPZZWWSATG-UHFFFAOYSA-N;74.1;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23627;MM23627;C=C(F)CN(C=O)CC#N;NRIJIKGSGGGCQY-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23628;MM23628;C=C(F)CO;XEIHLEMBJXRLEI-UHFFFAOYSA-N;76.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23629;MM23629;C=C(F)CF;SGGPUNTZIKXDMQ-UHFFFAOYSA-N;78.06;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23630;MM23630;C=COC(=O)ON=CC=O;APSIGHHLRGREME-UHFFFAOYSA-N;143.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23631;MM23631;N#CCCN(C=O)CC#N;ZXEKRGSAGQMAHP-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23632;MM23632;CC(CCC=O)N(O)C=N;YXSRQALVAOBAAB-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23633;MM23633;C=CN=C(NO)C(=C)CO;YPBQUYLMMVUMER-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23634;MM23634;COC(=O)C(C#N)N=CN;YPDHDNGWVVEWEN-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23635;MM23635;CC(=O)NO;RRUDCFGSUDOHDG-UHFFFAOYSA-N;75.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23636;MM23636;C=NN=CC=O;ACSCKCVQPAYRJP-UHFFFAOYSA-N;84.08;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23637;MM23637;C=NN=COC(C)OC;TYLLWTLJXVHSKM-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23638;MM23638;C=CN(N)C(=NN)N(C)O;GFOIEPRVRWJCSE-UHFFFAOYSA-N;145.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Methylurea;MM00389;CNC(N)=O;XGEGHDBEHXKFPX-UHFFFAOYSA-N;74.08;-0.72;11719;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23639;MM23639;C=CCNN=C(NN)NO;XMZUNCWBTUKJJZ-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hydroxyurea;MM00374;NC(=O)NO;VSNHCAURESNICA-UHFFFAOYSA-N;76.06;-0.96;3657;DB01005;NHY;CHEMBL467;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23640;MM23640;C=C(C)OC;YOWQWFMSQCOSBA-UHFFFAOYSA-N;72.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23641;MM23641;COC(C)=O;KXKVLQRXCPHEJC-UHFFFAOYSA-N;74.08;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23642;MM23642;CN(C=O)C(C#N)CC#N;MJUQMTHPAYGZJD-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23643;MM23643;COC(N)=O;GTCAXTIRRLKXRU-UHFFFAOYSA-N;75.07;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23644;MM23644;C=CC(=C)C;RRHGJUQNOFWUDK-UHFFFAOYSA-N;68.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23645;MM23645;C=C(C)C=O;STNJBCKSHOAVAJ-UHFFFAOYSA-N;70.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23646;MM23646;C=C(C)C#N;GYCMBHHDWRMZGG-UHFFFAOYSA-N;67.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23647;MM23647;C=CC(C)=O;FUSUHKVFWTUUBE-UHFFFAOYSA-N;70.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23648;MM23648;CC(=O)C=O;AIJULSRZWUXGPQ-UHFFFAOYSA-N;72.06;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23649;MM23649;CC(=O)C#N;QLDHWVVRQCGZLE-UHFFFAOYSA-N;69.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23650;MM23650;C#CCC(C#N)N(C)C=O;CSZYWMXWLHHMSG-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23651;MM23651;C#CC(=O)N(C)CC;CXLJCBGUPALLKZ-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23652;MM23652;C=NN=CC=CC#N;VSQSYZCMSWVCAM-UHFFFAOYSA-N;107.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23653;MM23653;NC(=O)C=O;AMANDCZTVNQSNB-UHFFFAOYSA-N;73.05;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23654;MM23654;N#CC(N)=O;YDVJBLJCSLVMSY-UHFFFAOYSA-N;70.05;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23655;MM23655;C=CC(=O)O;NIXOWILDQLNWCW-UHFFFAOYSA-N;72.06;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23656;MM23656;O=CC(=O)O;HHLFWLYXYJOTON-UHFFFAOYSA-N;74.04;-0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23657;MM23657;N#CC(=O)O;HJMZMZRCABDKKV-UHFFFAOYSA-N;71.04;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23658;MM23658;C=CC(=C)F;BQHQZFUAEAVJRE-UHFFFAOYSA-N;72.08;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23659;MM23659;C=C(F)C=O;MQBNWHZGDKLEHL-UHFFFAOYSA-N;74.05;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23660;MM23660;C=C(F)C#N;DDXZFLFMKZXQOT-UHFFFAOYSA-N;71.05;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23661;MM23661;C#CC(=C)C;BOFLDKIFLIFLJA-UHFFFAOYSA-N;66.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23662;MM23662;C#CC(C)=O;XRGPFNGLRSIPSA-UHFFFAOYSA-N;68.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23663;MM23663;C#CCN(C=O)CCF;DYRAQLTWRKSERI-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23664;MM23664;C#CC(N)=O;HCJTYESURSHXNB-UHFFFAOYSA-N;69.06;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23665;MM23665;C#CC(=O)O;UORVCLMRJXCDCP-UHFFFAOYSA-N;70.05;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23666;MM23666;C#CC(=C)F;FVFUHFDWCRYASN-UHFFFAOYSA-N;70.07;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23667;MM23667;CC=C(C)C;BKOOMYPCSUNDGP-UHFFFAOYSA-N;70.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23668;MM23668;CC(C)=CF;GRLHOORFDPGKMC-UHFFFAOYSA-N;74.1;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23669;MM23669;CC=C(C)F;ZNBIPPFCWSKMHR-UHFFFAOYSA-N;74.1;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23670;MM23670;CC(F)=CF;HJISFKJQGKPWFE-UHFFFAOYSA-N;78.06;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23671;MM23671;CC=C(F)F;YHLIEGBCOUQKHU-UHFFFAOYSA-N;78.06;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23672;MM23672;FC=C(F)F;MIZLGWKEZAPEFJ-UHFFFAOYSA-N;82.02;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23673;MM23673;O=CC=NOC(=O)C=O;RFUXUPJXISHATN-UHFFFAOYSA-N;129.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23674;MM23674;CNC(=NNC=N)NO;UVDUEMRXJMQSFP-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23675;MM23675;CC1(C)CC1;PBIJFSCPEFQXBB-UHFFFAOYSA-N;70.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23676;MM23676;C#CCN(C=O)CCOC;AXORNXQKLRIGTI-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23677;MM23677;C#CCN(C)C(C)CO;NPMSPRUEEYQJOP-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23678;MM23678;CC1(F)CC1;PMTJZZSFYRFJON-UHFFFAOYSA-N;74.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23679;MM23679;FC1(F)CC1;GPCDGGKVBPVZCT-UHFFFAOYSA-N;78.06;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23680;MM23680;CCN(C=O)CC#N;GQFBIZIOHJPWEQ-UHFFFAOYSA-N;112.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23681;MM23681;CC1(C)CO1;GELKGHVAFRCJNA-UHFFFAOYSA-N;72.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23682;MM23682;CC1CC1C;VKJLDXGFBJBTRQ-UHFFFAOYSA-N;70.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23683;MM23683;COC(=NOC=O)OC;PBSLUGBARODDRI-UHFFFAOYSA-N;133.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23684;MM23684;CN(C)CC=CN=CNO;GIUYWVDHJLRBOE-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23685;MM23685;CC1CC1F;WNBMPCSKLWIYKM-UHFFFAOYSA-N;74.1;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23686;MM23686;C#CC(COC)N(C)C=O;RSQLMEIUIXDGDW-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23687;MM23687;C=CC(N)C#CC(=C)CO;GRRBZDNKVYEVQW-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23688;MM23688;C#CCN(C)C=O;IJFHZWWAMMJGPL-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23689;MM23689;OC1CC1O;BTWIMZVCLMHNAV-UHFFFAOYSA-N;74.08;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23690;MM23690;OC1CC1F;CBGXWWCWFQGXAX-UHFFFAOYSA-N;76.07;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23691;MM23691;FC1CC1F;KFGHUDYAMNUDEI-UHFFFAOYSA-N;78.06;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23692;MM23692;CON=CC(F)(F)F;BYPBGIXQXNDOCO-UHFFFAOYSA-N;127.07;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23693;MM23693;CC1OC1C;PQXKWPLDPFFDJP-UHFFFAOYSA-N;72.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23694;MM23694;CC(C#N)N(C)C=O;VPZVGXSCNDVIIF-UHFFFAOYSA-N;112.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23695;MM23695;CCCCC;OFBQJSOFQDEBGM-UHFFFAOYSA-N;72.15;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23696;MM23696;CC#CCN(C)C=O;IRMSNDVVJYCRHJ-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23697;MM23697;C=NN=C(NN)NC(C)C;KZBJGFFGOMQNKP-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23698;MM23698;CCCCF;FCBJLBCGHCTPAQ-UHFFFAOYSA-N;76.11;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23699;MM23699;CN(C=O)CC#CCF;QVLVJPSWHOEMFU-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23700;MM23700;CC=NN=C(NN)NCC;MNVUZXZESSUQPQ-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23701;MM23701;C=CC#CCN(C)C=O;XZZCISVKDQNKEZ-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,3-Propanediol;MM00313;OCCCO;YPFDHNVEDLHUCE-UHFFFAOYSA-N;76.1;-0.64;10442;DB02774;PDO;CHEMBL379652;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23702;MM23702;OCCCF;NLRJUIXKEMCEOH-UHFFFAOYSA-N;78.09;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23703;MM23703;FCCCF;OOLOYCGJRJFTPM-UHFFFAOYSA-N;80.08;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23704;MM23704;CN(C=O)CC#CC=O;OHTZIZBFAMNVDR-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23705;MM23705;CN(C=O)CC#CC#N;LUJNOMJPGVPQAB-UHFFFAOYSA-N;122.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23706;MM23706;C#CC#CCN(C)C=O;CBJBARRSVZOVRZ-UHFFFAOYSA-N;121.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23707;MM23707;CCCOC;VNKYTQGIUYNRMY-UHFFFAOYSA-N;74.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23708;MM23708;CNC(=CC(=O)C=O)NC;FVQYWNYIASKMAZ-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23709;MM23709;COCCO;XNWFRZJHXBZDAG-UHFFFAOYSA-N;76.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23710;MM23710;COCCF;FQVSGUBAZSXHFZ-UHFFFAOYSA-N;78.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23711;MM23711;COCOC;NKDDWNXOKDWJAK-UHFFFAOYSA-N;76.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23712;MM23712;C=CC(=O)C(C=C)=C(N)N;AURYRXUKMLXAMI-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Ethoxyethane;MM00936;CCOCC;RTZKZFJDLAIYFH-UHFFFAOYSA-N;74.12;1.04;3283;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23713;MM23713;C=CCCC;YWAKXRMUMFPDSH-UHFFFAOYSA-N;70.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23714;MM23714;CCCC=O;ZTQSAGDEMFDKMZ-UHFFFAOYSA-N;72.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23715;MM23715;CCCC#N;KVNRLNFWIYMESJ-UHFFFAOYSA-N;69.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23716;MM23716;O=COC=NOC=O;LZPKAHRHVBNVEI-UHFFFAOYSA-N;117.06;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23717;MM23717;CNC(=NN=C(C)C)NN;MLTIZTFQYDFCKX-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23718;MM23718;O=CCCO;AKXKFZDCRYJKTF-UHFFFAOYSA-N;74.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23719;MM23719;N#CCCO;WSGYTJNNHPZFKR-UHFFFAOYSA-N;71.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23720;MM23720;C=CCCF;WMLYRGWCQHHBJZ-UHFFFAOYSA-N;74.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23721;MM23721;O=CCCF;XQNMZKNFKRXLAD-UHFFFAOYSA-N;76.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23722;MM23722;N#CCCF;UBAVIHIGWASOOU-UHFFFAOYSA-N;73.07;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23723;MM23723;C=NN=CN(C)C(=O)OC;NTXLLMFTLUURLJ-UHFFFAOYSA-N;143.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23724;MM23724;C=C(F)C(C)(N)CCCO;ANNCTTQKHURPPP-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23725;MM23725;C=CC(=O)C(CC)=C(N)N;OMCJPQHVEBGFIV-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23726;MM23726;C=CCOC;FASUFOTUSHAIHG-UHFFFAOYSA-N;72.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23727;MM23727;COCC=O;YSEFYOVWKJXNCH-UHFFFAOYSA-N;74.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23728;MM23728;COCC#N;QKPVEISEHYYHRH-UHFFFAOYSA-N;71.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23729;MM23729;C#CCNC(N)=CC=O;BPMNPYSGHITJMM-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23730;MM23730;C=CC(C)(NCC)C(N)=O;JQJKJSGIRFGPQU-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23731;MM23731;C#CC(C=O)=C(N)NC;JZQKNECVRRUYHS-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23732;MM23732;COC=NN(C=O)C=O;UXNRCUKYXZZOQN-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23733;MM23733;CC(C#N)CC(=O)N(C)C;HGGXEQWDPZPGJF-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23734;MM23734;CONC=O;BYYUJTPNKCFZST-UHFFFAOYSA-N;75.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23735;MM23735;C=COCC;FJKIXWOMBXYWOQ-UHFFFAOYSA-N;72.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23736;MM23736;CCOC=O;WBJINCZRORDGAQ-UHFFFAOYSA-N;74.08;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23737;MM23737;C=NN=CC(=O)N(C)OC;AIYMDRIUMIBGAO-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23738;MM23738;C#CCCC;IBXNCJKFFQIKKY-UHFFFAOYSA-N;68.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23739;MM23739;C#CCN(C=O)CCC#N;NVCNHCNABXFGMZ-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23740;MM23740;C#CCCO;OTJZCIYGRUNXTP-UHFFFAOYSA-N;70.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23741;MM23741;C#CCCF;CQFCDAVYXPMTRE-UHFFFAOYSA-N;72.08;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23742;MM23742;C=NN=COC;CBMBHYFZSMUBAL-UHFFFAOYSA-N;86.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23743;MM23743;C#CCOC;YACFFSVYSPMSGS-UHFFFAOYSA-N;70.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23744;MM23744;C=CCC=C;QYZLKGVUSQXAMU-UHFFFAOYSA-N;68.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23745;MM23745;C=CCC=O;IWJMQXOBCQTQCF-UHFFFAOYSA-N;70.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23746;MM23746;C=CCC#N;SJNALLRHIVGIBI-UHFFFAOYSA-N;67.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Propanedial;MM02102;O=CCC=O;WSMYVTOQOOLQHP-UHFFFAOYSA-N;72.06;-0.23;10964;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxopropanenitrile;MM02349;N#CCC=O;ZMMOYIXZGHJMNI-UHFFFAOYSA-N;69.06;0.1;151404;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23747;MM23747;N#CCC#N;CUONGYYJJVDODC-UHFFFAOYSA-N;66.06;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23748;MM23748;C#CC(CC#N)N(C)C=O;YLROCHUQNVHVRK-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23749;MM23749;C=CNC=O;ZQXSMRAEXCEDJD-UHFFFAOYSA-N;71.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23750;MM23750;N#CCN(C=O)CC=CF;YTTFNIMMJXYRMQ-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23751;MM23751;C=CCNC(C)(C)C(N)=O;UEHCRYBCFWUMCY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23752;MM23752;O=CNC=O;AIDQCFHFXWPAFG-UHFFFAOYSA-N;73.05;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23753;MM23753;CCN(C)C(C)(C)C(N)=O;ZIRSSKHYXJEIPS-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23754;MM23754;C=COC=C;QYKIQEUNHZKYBP-UHFFFAOYSA-N;70.09;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23755;MM23755;C=COC=O;GFJVXXWOPWLRNU-UHFFFAOYSA-N;72.06;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23756;MM23756;C=C(C)N(C=O)N=CC=O;XTHZDXWLUUFDSS-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23757;MM23757;C#CCC=C;LKOBTUTURSPCEE-UHFFFAOYSA-N;66.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23758;MM23758;C#CCC=O;OGQNOIVDVXRWRE-UHFFFAOYSA-N;68.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
But-3-ynenitrile;MM01979;C#CCC#N;YXIMMMSICIMRFY-UHFFFAOYSA-N;65.08;0.53;23270069;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23759;MM23759;C#CCC#C;MDROPVLMRLHTDK-UHFFFAOYSA-N;64.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23760;MM23760;CC=CCC;QMMOXUPEWRXHJS-UHFFFAOYSA-N;70.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23761;MM23761;CCC=CF;WFOIWBGKCSYBJN-UHFFFAOYSA-N;74.1;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23762;MM23762;C=COC=NN=C;IZSDSAGYFSNSSU-UHFFFAOYSA-N;98.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23763;MM23763;C=C(C)C(=O)C(C)=C(N)N;MGMDNKAWBHBZQO-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23764;MM23764;CC=CCO;WCASXYBKJHWFMY-UHFFFAOYSA-N;72.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23765;MM23765;OCC=CF;KBARENTZGIWYMD-UHFFFAOYSA-N;76.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23766;MM23766;CC=CCF;JYZFTXWDXGDNJZ-UHFFFAOYSA-N;74.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23767;MM23767;FC=CCF;INPRTAFPJCUIBZ-UHFFFAOYSA-N;78.06;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23768;MM23768;COC(C)CC(=O)N(C)C;JJBFDYJOZXZXTE-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23769;MM23769;CCC=NO;IFDZZSXEPSSHNC-UHFFFAOYSA-N;73.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23770;MM23770;OCC=NO;XDFCKHNPTCLLTI-UHFFFAOYSA-N;75.07;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23771;MM23771;C=CC(F)CNCCC=O;GXTMCHFEMGOZCG-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23772;MM23772;ON=CCF;LNRGVXVOANCYJQ-UHFFFAOYSA-N;77.06;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23773;MM23773;CN(C=O)C(C#N)C=CF;RPPQUIWZPPWRDL-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23774;MM23774;C=C(CC)C(C=O)=C(N)N;ADEJHWRNRDVZAE-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23775;MM23775;CNN=CNC(C)CC=O;IUZRIUQWWJZQEQ-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23776;MM23776;CC(N=CN)=NC(C)C=O;WBGAIUFTYPJMLV-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23777;MM23777;CC#CC(F)C(=N)NC=N;QWWSHYVTVVRTNM-UHFFFAOYSA-N;141.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23778;MM23778;ON=CNO;MTVPQMLQHSKSDA-UHFFFAOYSA-N;76.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23779;MM23779;CC=COC;QHMVQKOXILNZQR-UHFFFAOYSA-N;72.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23780;MM23780;COC=CF;RXGJUHLKOFEGGO-UHFFFAOYSA-N;76.07;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23781;MM23781;COC=NO;SAVQHTANTNPHPV-UHFFFAOYSA-N;75.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23782;MM23782;C=CC(C(=O)CC)=C(N)N;BHZLEXZSVMESIA-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23783;MM23783;C#CC(C#N)=NOCC#N;IDAAOSFHGVAIND-UHFFFAOYSA-N;133.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23784;MM23784;C=CC=CC;PMJHHCWVYXUKFD-UHFFFAOYSA-N;68.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23785;MM23785;C=CC=CF;IGPWAITWXGQPMD-UHFFFAOYSA-N;72.08;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23786;MM23786;CC=CC=O;MLUCVPSAIODCQM-UHFFFAOYSA-N;70.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23787;MM23787;CC=CC#N;NKKMVIVFRUYPLQ-UHFFFAOYSA-N;67.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23788;MM23788;NC=CC=O;UCRYVFBKCBUURB-UHFFFAOYSA-N;71.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23789;MM23789;C=CC#CC(=O)N(C)C;KOGVNTWVPOIBHX-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23790;MM23790;O=CC=CF;FXLLEAGADOGTNE-UHFFFAOYSA-N;74.05;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23791;MM23791;N#CC=CF;DOERUWDOBMTXGO-UHFFFAOYSA-N;71.05;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23792;MM23792;C=C(C)C(C=O)=C(N)N;WPWBDQUSRWCEJV-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23793;MM23793;C=CN=CNN=CN(C)C;ZWSUCVFVUGQDTG-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23794;MM23794;O=CC=NO;PRRPUEWAMYRKPC-UHFFFAOYSA-N;73.05;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23795;MM23795;N#CC=NO;XESMERCPCQXGAI-UHFFFAOYSA-N;70.05;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23796;MM23796;C=COC(=O)CN(C)C=O;JTLIWVXATKDACN-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23797;MM23797;C#CC=CC;XAJOPMVSQIBJCW-UHFFFAOYSA-N;66.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23798;MM23798;C#CC=CF;JERPAPAVGDNCEX-UHFFFAOYSA-N;70.07;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23799;MM23799;C#CC(C)NC(N)=CC=O;IGFMRAABRGBCMN-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23800;MM23800;C#CC=NO;FJQBKCXGUYADRC-UHFFFAOYSA-N;69.06;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23801;MM23801;CC#CCC;NKTDTMONXHODTI-UHFFFAOYSA-N;68.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23802;MM23802;C#CC=CC(C=O)=C(N)N;KBKVTNXKBKGBLQ-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23803;MM23803;CC#CCO;NEEDEQSZOUAJMU-UHFFFAOYSA-N;70.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23804;MM23804;CC#CCF;IGHFHTRBISWTOK-UHFFFAOYSA-N;72.08;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23805;MM23805;C=CC#CC;FILUFGAZMJGNEN-UHFFFAOYSA-N;66.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23806;MM23806;CC#CC=O;REJPDMLLCDXIOV-UHFFFAOYSA-N;68.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23807;MM23807;CC#CC#N;WNXDCVVDPKHWMW-UHFFFAOYSA-N;65.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23808;MM23808;C#CC#CC;VNMDYSSJFJFEQI-UHFFFAOYSA-N;64.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23809;MM23809;CCC1CC1;FOTXAJDDGPYIFU-UHFFFAOYSA-N;70.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23810;MM23810;CCN(C=O)CC#CC=O;DHYODQBLRIATJC-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23811;MM23811;C#CC(F)C(=N)NC=N;FUSJJRGDVXCYAC-UHFFFAOYSA-N;127.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23812;MM23812;FCC1CC1;BBOUSJIHFHLBIZ-UHFFFAOYSA-N;74.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23813;MM23813;C#CC(C)N(C)C=O;TXQKTDQMYZWLIK-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23814;MM23814;COC1CC1;ZUVAACFIEPYYOP-UHFFFAOYSA-N;72.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23815;MM23815;CC(C)N(C=O)CC#N;LWZGELLHFNNTMS-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23816;MM23816;CC(C)(F)C(=O)C=C(N)N;ADDCUCYJIUXVDP-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23817;MM23817;COC=CC(=NN)NC=N;ORSVCUOAWHSGSG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23818;MM23818;C=NN=COC(C)(C)OC;BVUHHEUSTACBAQ-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23819;MM23819;CCC1CO1;RBACIKXCRWGCBB-UHFFFAOYSA-N;72.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23820;MM23820;CC(F)CN(C=O)CC#N;RPLYAIUZCYXODR-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23821;MM23821;OCC1CO1;CTKINSOISVBQLD-UHFFFAOYSA-N;74.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23822;MM23822;FCC1CO1;OIFAHDAXIUURLN-UHFFFAOYSA-N;76.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23823;MM23823;CON=C(C#N)C#CC=O;PIJBAVFIAJIYSP-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23824;MM23824;C=CC1CC1;YIWFBNMYFYINAD-UHFFFAOYSA-N;68.12;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23825;MM23825;O=CC1CC1;JMYVMOUINOAAPA-UHFFFAOYSA-N;70.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23826;MM23826;N#CC1CC1;AUQDITHEDVOTCU-UHFFFAOYSA-N;67.09;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23827;MM23827;CN(C=O)C(C)(C)C#N;WZLGFNYRWHKKJO-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23828;MM23828;C=NN=C(C=CN)OC;KXXOCTLWFCECNC-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23829;MM23829;C=CC1CO1;GXBYFVGCMPJVJX-UHFFFAOYSA-N;70.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23830;MM23830;O=CC1CO1;IWYRWIUNAVNFPE-UHFFFAOYSA-N;72.06;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23831;MM23831;N#CC1CO1;RSHIVZARDAPEDE-UHFFFAOYSA-N;69.06;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23832;MM23832;C=CCC(C=O)=C(N)N;YRHFTMVOILLWOL-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23833;MM23833;CCON=C(C#N)OC;BMVKXMBGXXIKBP-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23834;MM23834;CC(=CF)C(=O)C=C(N)N;UAVHNKBSMMCCME-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23835;MM23835;C#CC1CC1;NPTDXPDGUHAFKC-UHFFFAOYSA-N;66.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23836;MM23836;CC(C)=CC(C=O)=C(N)N;UIYPZLLFSCXCQO-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23837;MM23837;C#CC1CO1;WYFBDQAYFMKCER-UHFFFAOYSA-N;68.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23838;MM23838;CCC(C)(C)C;HNRMPXKDFBEGFZ-UHFFFAOYSA-N;86.18;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23839;MM23839;C#CCN(C=O)CC=C;SCWNZGLLVMXLBI-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23840;MM23840;CCOC=CC(=NN)NC;ZFECMWIMBLZPJR-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23841;MM23841;CC(C)(C)CF;CZJHAXLHYWLWBS-UHFFFAOYSA-N;90.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23842;MM23842;CN=CN(C=O)OC=O;WDMZCOGNACHEDL-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23843;MM23843;CCOC(C#N)=NOC;IIUNUHRRAKLFEE-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23844;MM23844;CC=CC(C=O)=C(N)N;FONIKCAVLYHELS-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23845;MM23845;CC(C)(O)CO;BTVWZWFKMIUSGS-UHFFFAOYSA-N;90.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23846;MM23846;CC(C)(O)CF;GVEMIUUOJFZCOD-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23847;MM23847;CCC(C)(C)F;HLLCNVLEVVFTJB-UHFFFAOYSA-N;90.14;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23848;MM23848;CC(C)C(C=O)=C(N)N;DJOYPORJQHLWAV-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23849;MM23849;CC(C)(F)CO;VQDNMKWCOYVVJH-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23850;MM23850;CC(C)(F)CF;MBPIQXLEEJZOMY-UHFFFAOYSA-N;94.1;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23851;MM23851;CCC(C)(F)F;IIADOUMJKYSCPM-UHFFFAOYSA-N;94.1;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23853;MM23853;CC(C)C(=N)N(C=O)C=O;YPGAJBQGNQTWQW-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23855;MM23855;CC(F)(F)CO;CKLONJANQGBREW-UHFFFAOYSA-N;96.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23857;MM23857;CCC(F)(F)F;KDWQLICBSFIDRM-UHFFFAOYSA-N;98.07;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23859;MM23859;N#CCON=CC(=O)C=O;XVOWXGWZGRWLTI-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23861;MM23861;OCC(F)(F)F;RHQDFWAXVIIEBN-UHFFFAOYSA-N;100.04;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23863;MM23863;C=NN=CCN(C=O)C=O;CRHPOLZGRBSITG-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23865;MM23865;COC(C)(C)C;BZLVMXJERCGZMT-UHFFFAOYSA-N;88.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23867;MM23867;C=CC(C)(C)C;PKXHXOTZMFCXSH-UHFFFAOYSA-N;84.16;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23869;MM23869;CC(C)(C)C=O;FJJYHTVHBVXEEQ-UHFFFAOYSA-N;86.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23871;MM23871;CC(C)(C)C#N;JAMNHZBIQDNHMM-UHFFFAOYSA-N;83.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23873;MM23873;C=CC(C=O)=C(N)N;NQULATGJRDOVOL-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23875;MM23875;CCC#CC(=NN)C(=N)N;XINNBYBJILBVLK-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23877;MM23877;CC(C)(O)C=O;HNVAGBIANFAIIL-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23879;MM23879;CC(C)(O)C#N;MWFMGBPGAXYFAR-UHFFFAOYSA-N;85.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23881;MM23881;C=CC(C)(C)F;VEFUEZBNYXOTDQ-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23883;MM23883;CC(C)(F)C=O;GLXZRTVCHHTNIY-UHFFFAOYSA-N;90.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23885;MM23885;CC(C)(F)C#N;REBAWHWWWIHOCJ-UHFFFAOYSA-N;87.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23887;MM23887;C=CC(C)(F)F;DBHFDRQTJRIKGA-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23888;MM23888;CC(F)(F)C=O;SDNUTQAYPMABGF-UHFFFAOYSA-N;94.06;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23889;MM23889;CC(F)(F)C#N;RYWQXEUNSACTBO-UHFFFAOYSA-N;91.06;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23891;MM23891;C=CC(F)(F)F;FDMFUZHCIRHGRG-UHFFFAOYSA-N;96.05;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23892;MM23892;O=CC(F)(F)F;JVTSHOJDBRTPHD-UHFFFAOYSA-N;98.02;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23893;MM23893;N#CC(F)(F)F;SFFUEHODRAXXIA-UHFFFAOYSA-N;95.02;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23895;MM23895;C#CC(C)(C)C;PPWNCLVNXGCGAF-UHFFFAOYSA-N;82.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23896;MM23896;CC(=O)N(C)CC(F)C#N;WADKIFLZUKLJJC-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23897;MM23897;C#CC(C)(C)O;CEBKHWWANWSNTI-UHFFFAOYSA-N;84.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23899;MM23899;C#CC(C)(C)F;JVNFRNRYLLRJNE-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23900;MM23900;C#CC(C)(F)F;XOIBTCPNPUOEDD-UHFFFAOYSA-N;90.07;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23901;MM23901;C#CC(F)(F)F;PRDFNJUWGIQQBW-UHFFFAOYSA-N;94.04;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23903;MM23903;CCCC(C)C;AFABGHUZZDYHJO-UHFFFAOYSA-N;86.18;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23905;MM23905;C=C(CC)C(=O)C=C(N)N;DPKSVULJLWAQLQ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23907;MM23907;CC=C(C)C(=O)C=C(N)N;GRRLMWRHZXZVBG-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23909;MM23909;CCCC(=O)C(C)=C(N)N;CLHXCRZFKYPDPZ-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23911;MM23911;CC(=CC=O)N=CN=CN;NVKGTBWVBITJQX-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23913;MM23913;CN(C)C(=O)N(C)C;AVQQQNCBBIEMEU-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23915;MM23915;CC(O)CCF;PEAJLEGVRQOZNV-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23917;MM23917;CC=CC(=O)C=C(N)N;IULAWYZIJGFTGY-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23919;MM23919;CC(F)CCO;YSAZHINBXCWZTE-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23921;MM23921;CC(F)CCF;JFGBHUQZXJIATI-UHFFFAOYSA-N;94.1;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23922;MM23922;CC(C)=CC(=O)C=C(N)N;RRIOQQDZXREZTJ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23923;MM23923;OCCC(F)F;NKLMUTXYDLKTQU-UHFFFAOYSA-N;96.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23924;MM23924;FCCC(F)F;GQSMEOJGQJMOHA-UHFFFAOYSA-N;98.07;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23925;MM23925;CCN(C=O)CC(=O)OC;MUNZTMFBELBUFH-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23926;MM23926;C#CCCC(C=O)=C(N)N;AXZHICNWPGEDFW-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23928;MM23928;C=NN=C(C)OC;GUCRVRSJADSTOQ-UHFFFAOYSA-N;100.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-methoxy-2-propanol;MM00782;COCC(C)O;ARXJGSRGQADJSQ-UHFFFAOYSA-N;90.12;0.01;7900;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23930;MM23930;COCC(C)F;IINJUNCYXOVPGN-UHFFFAOYSA-N;92.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23932;MM23932;CCCC(C=O)=C(N)N;HQPCQCRCUJYNIN-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23933;MM23933;CNC(C=O)=C(C)C#N;ZLXPLSRLAIWMOW-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23934;MM23934;C#CCNN=C(C)C(C)N;BVMIUQSRWSYSKJ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23936;MM23936;C=CCC(C)C;WSSSPWUEQFSQQG-UHFFFAOYSA-N;84.16;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23938;MM23938;CC(C)CC=O;YGHRJJRRZDOVPD-UHFFFAOYSA-N;86.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23940;MM23940;CC(C)CC#N;QHDRKFYEGYYIIK-UHFFFAOYSA-N;83.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23942;MM23942;C#CC(C=O)=NOC(C)=O;PQGGCGUHSJTIIR-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23944;MM23944;CC(O)CC=O;HSJKGGMUJITCBW-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23946;MM23946;CC(O)CC#N;BYJAJQGCMSBKPB-UHFFFAOYSA-N;85.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23948;MM23948;C=CCC(C)F;CRUUZSWMWWYYEP-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23950;MM23950;CC(F)CC=O;HIVQUNZRZVIVAF-UHFFFAOYSA-N;90.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23952;MM23952;CC(F)CC#N;MFXACTCAPVWMGH-UHFFFAOYSA-N;87.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23954;MM23954;C=CCC(F)F;ABCATIFGNSHDMN-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluoropropanal;MM02372;O=CCC(F)F;YLYOGKKQZANYFW-UHFFFAOYSA-N;94.06;0.84;21752648;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23956;MM23956;C=CCCC(C=O)=C(N)N;GSILRNKDDYHAFX-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23958;MM23958;CC(O)(C#N)C(=N)NC=N;PGMMFJVLNAZZDC-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23960;MM23960;CC(=O)N(C)C;FXHOOIRPVKKKFG-UHFFFAOYSA-N;87.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23962;MM23962;C=COC(C)C;GNUGVECARVKIPH-UHFFFAOYSA-N;86.13;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23964;MM23964;CC(C)OC=O;RMOUBSOVHSONPZ-UHFFFAOYSA-N;88.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23966;MM23966;C#CC=NN=CC=C;XQCOJWSXMHQRKE-UHFFFAOYSA-N;106.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23968;MM23968;COC(CF)=NOC=O;KANWERLQFKRIEV-UHFFFAOYSA-N;135.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23970;MM23970;CCON=C(C=O)C=O;FYIIHASBPNCIGJ-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23972;MM23972;N#CCN(C=O)CCCF;GOMFJDFJWJKWIJ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23974;MM23974;CN(C=N)C(=N)C(O)C#N;YIAHTOPDTXPNIM-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23976;MM23976;C#CCC(C)C;OXRWICUICBZVAE-UHFFFAOYSA-N;82.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23977;MM23977;C=CCCN(C=O)CC#N;SZLWNJWYSGOPPW-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23979;MM23979;C#CCC(C)F;NVSHTDHEJUESKS-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4,4-difluorobut-1-yne;MM01826;C#CCC(F)F;NUOFQQNKHOZBEC-UHFFFAOYSA-N;90.07;1.27;15710921;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23980;MM23980;C=Cc1noc(=O)o1;FWYOXBKFEYVYMP-UHFFFAOYSA-N;113.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23982;MM23982;C=C(C)CCC;WWUVJRULCWHUSA-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23983;MM23983;CCCN(C=O)CC#N;YIGMMPMUWWIXGJ-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23984;MM23984;CCCC(C)=O;XNLICIUVMPYHGG-UHFFFAOYSA-N;86.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23986;MM23986;CC(=O)CCO;LVSQXDHWDCMMRJ-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23987;MM23987;CC(=O)CCF;JLBBYMYIYLJFFN-UHFFFAOYSA-N;90.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23988;MM23988;C#CCNC(N)=C(C)C=O;LHDHTOMXVREPRT-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23990;MM23990;CCOC=NN(C=O)C=O;RQRUBWNLZKYJDU-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23991;MM23991;C=NN=CN(C)C=O;JESPPPRVENVHSW-UHFFFAOYSA-N;113.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23992;MM23992;CC(=N)N(C)C(C)=NO;FMJJUGPXFBLWKO-UHFFFAOYSA-N;129.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23994;MM23994;CC(C)C(=NO)C(=N)N;QOHYCVOQWVRQDB-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23995;MM23995;NC(=O)CCF;AMYVOPOCFVVUEM-UHFFFAOYSA-N;91.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23997;MM23997;O=C(O)CCO;ALRHLSYJTWAHJZ-UHFFFAOYSA-N;90.08;-0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23998;MM23998;O=C(O)CCF;RPFXMKLCYJSYDE-UHFFFAOYSA-N;92.07;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM23999;MM23999;C=C(F)CCC;GLJQTKPYRMOZCQ-UHFFFAOYSA-N;88.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24001;MM24001;COCCN(C)C(C)=O;MOHVAIVJEBBUQK-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24002;MM24002;C=C(F)CCO;PSFNCYUGFYPKSV-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24003;MM24003;CCC(C#N)N(C)C=O;ORASFVKYSIFEAU-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24005;MM24005;C#CC(O)C(F)CNC;BRIYHHYXHBALEJ-UHFFFAOYSA-N;131.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24006;MM24006;CC(C)C(=O)C=C(N)N;SDYIQBRPKNAUCL-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24008;MM24008;COCC(C)=O;CUZLJOLBIRPEFB-UHFFFAOYSA-N;88.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24009;MM24009;CC(C)(C)N(C=O)CC#N;JVZYKFFMRFNDDF-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24011;MM24011;COCC(N)=O;MTEZLAATISORQK-UHFFFAOYSA-N;89.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24012;MM24012;COCC(=O)O;RMIODHQZRUFFFF-UHFFFAOYSA-N;90.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24014;MM24014;C#CCCC(=O)C=C(N)N;FYABAWMXNLLQFV-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24016;MM24016;C=CC#CC(N)C(O)C=C;JJTWTLUVZZEWBO-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24017;MM24017;C=NN=C(C=C(C)N)OC;PVGFXBWQIHWKCU-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24019;MM24019;CCNC(N)=O;RYECOJGRJDOGPP-UHFFFAOYSA-N;88.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24021;MM24021;CN=CN=C(NN)N(C)O;JMJLZIMHPHIPFO-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24022;MM24022;CONC(C)=O;SOZXKDHEWJXRKV-UHFFFAOYSA-N;89.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24024;MM24024;C#CC(C)(N)C(CO)OC;XWPTXZHDHCTUQE-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24026;MM24026;CONC(N)=O;JOHLTMWXHJLNDE-UHFFFAOYSA-N;90.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24027;MM24027;C=C(C)OCC;FSGHEPDRMHVUCQ-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24029;MM24029;CCOC(N)=O;JOYRKODLDBILNP-UHFFFAOYSA-N;89.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24031;MM24031;C=CCC(=C)C;DRWYRROCDFQZQF-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24033;MM24033;C=C(C)CC=O;VEEFADFWCHSFIU-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24034;MM24034;C=C(C)CC#N;OIQDAVBXDLGCID-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24036;MM24036;C=CCC(C)=O;PNJWIWWMYCMZRO-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24038;MM24038;CC(F)C(=NO)NC=N;MCPVBFNZVKASJR-UHFFFAOYSA-N;133.13;0.33;;;;;DOPC;MDCG;27;"2, +1";"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxobutanenitrile;MM02300;CC(=O)CC#N;OPXYNEYEDHAXOM-UHFFFAOYSA-N;83.09;0.49;75579;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24041;MM24041;CCCC(=O)C=C(N)N;ZVLYSGNNKAMTDA-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24042;MM24042;C=CCC(N)=O;ABBZJHFBQXYTLU-UHFFFAOYSA-N;85.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24044;MM24044;N#CCC(N)=O;DGJMPUGMZIKDRO-UHFFFAOYSA-N;84.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24045;MM24045;C=CCC(=O)O;PVEOYINWKBTPIZ-UHFFFAOYSA-N;86.09;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24047;MM24047;C=CCC(=C)F;KAWIQBXTFGLSDJ-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24048;MM24048;C=C(F)CC=O;GQRRKXPRWNPPTM-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24050;MM24050;C=C(F)CC#N;QPNJIYXWKHAJEW-UHFFFAOYSA-N;85.08;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24052;MM24052;C=CN(C=O)C=NN=C;RMXWILPCUYOUTA-UHFFFAOYSA-N;125.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24054;MM24054;C=C(C)NC=O;IZQACMKUMJUOBD-UHFFFAOYSA-N;85.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24055;MM24055;C=CCCC(=O)C=C(N)N;JFCRXOIGCQRECG-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24057;MM24057;CC(=O)N(C)CCC#N;XVWNWBDQUDOFRY-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24058;MM24058;C=CC#CC(N)CO;XZDAPKCLJCYOCQ-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24059;MM24059;C=CNC(C)=O;RQAKESSLMFZVMC-UHFFFAOYSA-N;85.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24061;MM24061;CC=CN(N)C(=NN)NO;IBNGAFRVDJXLPM-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24062;MM24062;CC(=O)NC=O;MRJJQAVHEGLQJJ-UHFFFAOYSA-N;87.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24063;MM24063;C=C(C)CN(C=O)CC#N;CQGZCNZKLGDFJW-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24065;MM24065;O=CN1CC1;PMRJLMRZYXKGAT-UHFFFAOYSA-N;71.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24066;MM24066;CCN(N)C(=NN)NO;DZTVTZUWQTYLPP-UHFFFAOYSA-N;133.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24067;MM24067;C=CNC(N)=O;FAFWKDXOUWXCDP-UHFFFAOYSA-N;86.09;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24069;MM24069;CNNC(=NN)NO;IJZBJTQHFWFIMV-UHFFFAOYSA-N;119.13;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24071;MM24071;NC(=O)NC=O;JOWMUPQBELRFRZ-UHFFFAOYSA-N;88.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24073;MM24073;C#CC(CO)N(C)CC;ALCBSECLTBVBSG-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24075;MM24075;C#CC(=N)NC(=NC)NO;IUZLLDARTVZQKX-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24077;MM24077;CN(O)C(=N)C#CC=NO;IZTYRRIMJROERV-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24079;MM24079;C=NNC(N)=O;ZXLNOQLIBVACTD-UHFFFAOYSA-N;87.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24081;MM24081;C=COC(=C)C;VIEXGYLWFCRXOB-UHFFFAOYSA-N;84.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24083;MM24083;C=C(C)OC=O;CAVPDPHVQVHXCQ-UHFFFAOYSA-N;86.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24085;MM24085;C=COC(C)=O;XTXRWKRVRITETP-UHFFFAOYSA-N;86.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24087;MM24087;CN(O)C(=N)C(=N)NN;UGSSSEZUHCVMSC-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24089;MM24089;CN(C=O)CC(F)F;JTQNABWUISCUEK-UHFFFAOYSA-N;123.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24091;MM24091;C=C(C#N)OC=NOC=O;YJZCYSAHRSIDCN-UHFFFAOYSA-N;140.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24093;MM24093;CC=C(F)CC(=N)N(C)O;FVJJIMNARBTWON-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24095;MM24095;C#CCC(=C)C;OYCKWAPENACEJO-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24097;MM24097;C#CCC(C)=O;ASVQKRFMRKDHTD-UHFFFAOYSA-N;82.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24099;MM24099;CCN(C)C(C)=O;MGDNHIJGIWHQBL-UHFFFAOYSA-N;101.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24101;MM24101;C#CCC(N)=O;OTDADMIMLSDQCC-UHFFFAOYSA-N;83.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"But-3-ynoic Acid";MM03584;C#CCC(=O)O;KKAHGSQLSTUDAV-UHFFFAOYSA-N;84.07;0.09;137547;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24104;MM24104;C#CCC(=C)F;XCPSREWGWBPCJL-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24106;MM24106;CC=CC(C)C;LGAQJENWWYGFSN-UHFFFAOYSA-N;84.16;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24108;MM24108;CC(C)C=CF;XBYUYHSJGKUARD-UHFFFAOYSA-N;88.13;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24110;MM24110;C=NN=C(C=C(N)N)OC;WLXBZGPBPULRQM-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24112;MM24112;C#CC(=N)N(OC)C(C)=O;OXPFVALWKAERPO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24114;MM24114;C#CCC(=N)NO;WCFNXUJWUUHVNB-UHFFFAOYSA-N;98.11;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24116;MM24116;CC(O)C=CF;DNISHIMBADPTMN-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24118;MM24118;CC=CC(C)F;LZUVXWHJKUVDMO-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24120;MM24120;NC(N)=CC=O;IWHZNLFKKVDPLG-UHFFFAOYSA-N;86.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-(2-methylpropylidene)hydroxylamine;MM01813;CC(C)C=NO;SYJPAKDNFZLSMV-UHFFFAOYSA-N;87.12;1.1;9023;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24123;MM24123;C#CC(C)C(=N)NO;HOYQXFGMWMLFCU-UHFFFAOYSA-N;112.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24125;MM24125;CC(F)C=NO;RUQGKKFFNXKQNR-UHFFFAOYSA-N;91.09;0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03320;MM03320;ON=CC(F)F;FWASOJFCBOPBJF-UHFFFAOYSA-N;95.05;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24128;MM24128;CC1CN1C=O;KYKLMEBHAXODSL-UHFFFAOYSA-N;85.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24130;MM24130;C=COC=CC(=N)NO;KSANGZOSLIDEFO-UHFFFAOYSA-N;128.13;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24132;MM24132;CN(O)C=NO;IWAOAPNKGWIBNS-UHFFFAOYSA-N;90.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24134;MM24134;C=NN=CC(=O)C=CN;KWQLTIRFXJBLGS-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24136;MM24136;C=C(C)C=CC;RCJMVGJKROQDCB-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24138;MM24138;CC=CC(C)=O;LABTWGUMFABVFG-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24140;MM24140;CC(=O)C=CN;NGUGWHFIVAQVMN-UHFFFAOYSA-N;85.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24142;MM24142;CC(=O)C=CF;GZKJIRORPWIMBN-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24144;MM24144;CON=C(CF)OC=O;SGOPKKGAHDCYGX-UHFFFAOYSA-N;135.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24146;MM24146;C=CN(C=NC)C(C)=NO;DIEXKBJMVUOMSI-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24148;MM24148;C=C(C=NNC)C(=N)NO;FJXKAXOWSHFPBD-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24150;MM24150;CC=CC(=O)O;LDHQCZJRKDOVOX-UHFFFAOYSA-N;86.09;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24152;MM24152;NC=CC(=O)O;YTLYLLTVENPWFT-UHFFFAOYSA-N;87.08;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24154;MM24154;C=C(F)C=CC;PEURVEFVKWASLR-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24155;MM24155;CCC(=O)N(C)C;MBHINSULENHCMF-UHFFFAOYSA-N;101.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24156;MM24156;CN(C)CCC#CC(N)=O;CZURRGRBBSEISC-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24157;MM24157;CC(=O)C=NO;OVGLVOLWBBGQHS-UHFFFAOYSA-N;87.08;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24159;MM24159;NC(=O)C=NO;NXZLTPQEYLXQCH-UHFFFAOYSA-N;88.07;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24161;MM24161;CC#CC(C)C;SLMFWJQZLPEDDU-UHFFFAOYSA-N;82.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24163;MM24163;CN(C=O)N=COC=O;LOGMAWNENLAELK-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24165;MM24165;CC#CC(C)O;HJFRLXPEVRXBQZ-UHFFFAOYSA-N;84.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24167;MM24167;CC#CC(C)F;AABHUMDMWJKNNJ-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24169;MM24169;CC#CC(F)F;UXPGVKJJHOOZGZ-UHFFFAOYSA-N;90.07;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24171;MM24171;C=C(C)C#CC;KGIABMDFILVKGN-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24173;MM24173;CC#CC(C)=O;DZOOXMGZVWHNAS-UHFFFAOYSA-N;82.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24175;MM24175;C=CC(=O)C(C=O)=NOC;ZJNVLJQPNCHQDH-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24177;MM24177;CC#CC(N)=O;STSBIYSZXHSXHH-UHFFFAOYSA-N;83.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"But-2-ynoic Acid";MM03252;CC#CC(=O)O;LUEHNHVFDCZTGL-UHFFFAOYSA-N;84.07;0.09;68535;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24180;MM24180;C=C(F)C#CC;WUEQXLBPUITHCU-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24182;MM24182;CCC=C(C)C;JMMZCWZIJXAGKW-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24184;MM24184;CC#CC(=N)N(C=O)OC;YGPXSICQZFCMOO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24185;MM24185;CC(C)=CCO;ASUAYTHWZCLXAN-UHFFFAOYSA-N;86.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24187;MM24187;CCC=C(C)F;IGCRFRIDPCUOGM-UHFFFAOYSA-N;88.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24189;MM24189;C=C(C#N)CN(C)C(C)=O;AAWWBNMYEJQTIE-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24191;MM24191;CC(F)=CCO;CHLGSAZRAMLWBZ-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24193;MM24193;C#CC(=C)CN(C)C(C)=O;HTHFCFWUMJAWQA-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24195;MM24195;COC=C(C)C;HHHSZBNXXGKYHH-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24197;MM24197;COC=C(C)F;IEDPLNYTCIYZAV-UHFFFAOYSA-N;90.1;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24199;MM24199;COC=C(F)F;QHYVQMOBKCGIAF-UHFFFAOYSA-N;94.06;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24201;MM24201;C=CN(C=O)C(C)=NN=C;JXLLHNLTKUWOMG-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24202;MM24202;CN(C=O)C(C)(C)C=O;BDQAWIICVDWAKK-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24204;MM24204;C=CC=C(C)C;CJSBUWDGPXGFGA-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24206;MM24206;CC(C)=CC=O;SEPQTYODOKLVSB-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24208;MM24208;CC(C)=CC#N;AUGKLUNRHYPDAM-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24210;MM24210;CC(N)=CC=O;JLIDPRFIBGNRGS-UHFFFAOYSA-N;85.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24212;MM24212;N#CC=C(N)OC(=O)CF;XZBSDMDUXNBCNX-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24214;MM24214;C=CC=C(C)F;UKDBVQNIUOHCEX-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24216;MM24216;CC(F)=CC#N;AJZINVZDOXFSNZ-UHFFFAOYSA-N;85.08;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24218;MM24218;C=CCN(C)C(C)=O;HLNSIFBJBPSASG-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24220;MM24220;C=NN=C(C)N(C)C=O;OMJBTCFVARFVGK-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24222;MM24222;C=CC=C(F)F;XWOKUHDOBJAMAL-UHFFFAOYSA-N;90.07;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24224;MM24224;N#CC=C(F)F;PSUCPEMMGCPVFE-UHFFFAOYSA-N;89.04;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24226;MM24226;N#CC(C#N)=C(N)CF;VFZYZCJQXPEVKF-UHFFFAOYSA-N;125.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24228;MM24228;C#CC=C(C)C;XTVVYQMNTDBDNS-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24229;MM24229;C#CC=C(C)F;HLAVXYIAFOJPTL-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24230;MM24230;C#CC=C(F)F;JTUMZOAMKDBEJR-UHFFFAOYSA-N;88.06;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24232;MM24232;CC(C)C(C)C;ZFFMLCVRJBZUDZ-UHFFFAOYSA-N;86.18;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24234;MM24234;CCN(CCC#N)C(C)=O;FUPJECGLLNCKMB-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24236;MM24236;C#CC(N=CNO)C(=N)N;LAQJBEASJUZFGZ-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24238;MM24238;CC(C)C(C)F;JXCNTLHKVMUETO-UHFFFAOYSA-N;90.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24240;MM24240;CC(C)C(F)F;ILTXOELGTIIKDD-UHFFFAOYSA-N;94.1;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24242;MM24242;CC1C(C)N1C=O;QVAPTSSNACDPBL-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24244;MM24244;N#CC(=CCO)NC(=N)N;CQSFIXYJAXWAHL-UHFFFAOYSA-N;140.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24246;MM24246;C=CC(=O)OC(N)=CC#N;GHGGKFPAKUEMBU-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24248;MM24248;C#CCOC(=O)C=NOC;HDZCMEOMUWRXNL-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,3-butanediol;MM00798;CC(O)C(C)O;OWBTYPJTUOEWEK-UHFFFAOYSA-N;90.12;-0.25;262;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24251;MM24251;CC(O)C(C)F;KUOMEPXVIPTJJX-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24253;MM24253;CC(O)C(F)F;AKVKBTWZKYWPNV-UHFFFAOYSA-N;96.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24255;MM24255;CC(F)C(C)F;GRELHMBELDGGLT-UHFFFAOYSA-N;94.1;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24257;MM24257;CC(F)C(F)F;HHRQYHKSSIGXJV-UHFFFAOYSA-N;98.07;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24259;MM24259;CC(=O)N(C)C(C)C;SJCBWLJRMCOJEC-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24261;MM24261;C=C(C)C(C)C;OWWIWYDDISJUMY-UHFFFAOYSA-N;84.16;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24263;MM24263;CC(=O)C(C)C;SYBYTAAJFKOIEJ-UHFFFAOYSA-N;86.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24265;MM24265;CCN(CC)C(C)=O;AJFDBNQQDYLMJN-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24267;MM24267;C#CC(C)N(C)CCO;JFEBKUVQNDCLFR-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Isobutyric Acid";MM00658;CC(C)C(=O)O;KQNPFQTWMSNSAP-UHFFFAOYSA-N;88.11;0.73;6590;DB02531;ALQ;CHEMBL108778;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24270;MM24270;C=C(F)C(C)C;NSPSHZZZNJMFNW-UHFFFAOYSA-N;88.13;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24272;MM24272;CC(=O)N(C)CC(C)F;RQAHGVOFFWWWGX-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24274;MM24274;CN(C)C(=O)CCCF;IDKFIYARQSBVSM-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24276;MM24276;C=NNC(=N)CC(O)C#N;AMFPCEMGZQGXQO-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24278;MM24278;C=NN=CC(=O)N(C)C;ZSWRKXPLRJYHIR-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24279;MM24279;C#CCNCCNC=O;YCCNTXCJMAVWGJ-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24281;MM24281;CC(=O)C(C)O;ROWKJAVDOGWPAT-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24283;MM24283;CC#CCCC(N)C(N)=O;FMWKERCMVKCIJN-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24285;MM24285;CC(O)C(N)=O;SXQFCVDSOLSHOQ-UHFFFAOYSA-N;89.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24286;MM24286;C=C(F)C(C)O;MNKDWEKGHCYKOC-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24287;MM24287;C=C(C)C(C)F;PDLUPZMLPPSKKB-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24289;MM24289;CC(=O)C(C)F;LJOQCXPELWJBRK-UHFFFAOYSA-N;90.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24291;MM24291;CC(C#N)=C(N)C#N;LAMGSOYBVBKKBK-UHFFFAOYSA-N;107.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24292;MM24292;CC(F)C(N)=O;DFEYCTOVBPSNBP-UHFFFAOYSA-N;91.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24294;MM24294;CC(F)C(=O)O;ZVZPFTCEXIGSHM-UHFFFAOYSA-N;92.07;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24296;MM24296;C=C(C)C(F)F;XXGCDCCJAXTSGW-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,1-difluoropropan-2-one;MM02174;CC(=O)C(F)F;XHILZHAQBOLGFD-UHFFFAOYSA-N;94.06;0.84;3494771;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24298;MM24298;CC(=O)OC(N)=C(C)C#N;TUSLIHYQMUHJQL-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24300;MM24300;NC(=O)C(F)F;ZMIBIIAWFMCVFD-UHFFFAOYSA-N;95.05;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24302;MM24302;C=COC(C#N)=NN(C)C;UYNNZNVNMLPLSW-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24304;MM24304;CN(C=O)CC(C)(F)F;RQDYXEKSQQQDQT-UHFFFAOYSA-N;137.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24305;MM24305;C=NN=CC(F)=C(N)N;WRWVCWVSKIRHRR-UHFFFAOYSA-N;130.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24307;MM24307;CN(C)C(N)=O;YBBLOADPFWKNGS-UHFFFAOYSA-N;88.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24308;MM24308;N#CC=C(N)C#N;NPHXBQJRDOVAAF-UHFFFAOYSA-N;93.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24310;MM24310;CNC(NC)=C(C#N)C#N;RFYZOYCHDFLIPW-UHFFFAOYSA-N;136.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24311;MM24311;CC(=O)OC(N)=CC#N;IMIDTFJMDDGLDT-UHFFFAOYSA-N;126.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24313;MM24313;CNCC(C)(F)C(C)=O;UQCBYQXFHQDIGO-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24314;MM24314;CC(=O)N(C)O;BJPJMTMWIVUMAK-UHFFFAOYSA-N;89.09;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24316;MM24316;C#CC=CNC=NCC=O;HVRBMULRXKFMNN-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24317;MM24317;CN(O)C(N)=O;OCWOEDAIWSVHFT-UHFFFAOYSA-N;90.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24319;MM24319;C=C(C)C(=C)C;SDJHPPZKZZWAKF-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24320;MM24320;C=C(C)C(C)=O;ZGHFDIIVVIFNPS-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24322;MM24322;CC(=O)N(C)CC(C)C#N;IKQPNKAUIPZVQV-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24323;MM24323;C#CC(=C)C(=O)CNCC;UWCLZOGJBWWJLH-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24325;MM24325;C=C(C)C(=O)O;CERQOIWHTDAKMF-UHFFFAOYSA-N;86.09;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24326;MM24326;C=C(C)C(=C)F;YAYWOMCZHXJZEP-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Butane-2,3-dione;MM02198;CC(=O)C(C)=O;QSJXEFYPDANLFS-UHFFFAOYSA-N;86.09;0.16;650;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24327;MM24327;CN=CNN=CN(C)C;OMBOJWZICFYGSD-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24329;MM24329;CC(=O)C(N)=O;FPOLWERNILTNDK-UHFFFAOYSA-N;87.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Pyruvate;MM17310;CC(=O)C(=O)O;LCTONWCANYUPML-UHFFFAOYSA-N;88.06;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24331;MM24331;C=C(F)C(C)=O;LAXQTZBIPXKIPZ-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24332;MM24332;C#CC(=O)ON=COC=C;HNCCFZCUFCOOEA-UHFFFAOYSA-N;139.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24334;MM24334;O=CC=NOC=O;UDLQXPNGVVWGTH-UHFFFAOYSA-N;101.06;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24335;MM24335;NC(=O)C(N)=O;YIKSCQDJHCMVMK-UHFFFAOYSA-N;88.07;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24337;MM24337;O=C(O)C(=O)O;MUBZPKHOEPUJKR-UHFFFAOYSA-N;90.03;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24338;MM24338;CC(C)=C(C)C;WGLLSSPDPJPLOR-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24340;MM24340;CC(C)=C(C)F;NOMDHIWJYVRCNL-UHFFFAOYSA-N;88.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24341;MM24341;CC(C)=C(F)F;HCPDKGKTCAHBCY-UHFFFAOYSA-N;92.09;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24343;MM24343;CC(F)=C(C)F;VPIRIYLZPMUDIR-UHFFFAOYSA-N;92.09;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24344;MM24344;CC(F)=C(F)F;LNGDLROYEAUMEQ-UHFFFAOYSA-N;96.05;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24346;MM24346;FC(F)=C(F)F;BFKJFAAPBSQJPD-UHFFFAOYSA-N;100.01;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24347;MM24347;CC1CC1(C)C;BXIIJPAVISPOGI-UHFFFAOYSA-N;84.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24349;MM24349;CCC(=O)N(C)CC;GHVUKOCVBVUUGS-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24350;MM24350;CC(C=O)C(=N)N=CN;SKGPHSACYLJCGY-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24352;MM24352;CC1(C)CC1F;XXVGLXNVQQFQOB-UHFFFAOYSA-N;88.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24353;MM24353;C=CCCN(C)C(C)=O;SBLOBEZQKRXGTD-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24355;MM24355;CC(C#N)=C(N)OC=O;QGRAPHJIWMKXQO-UHFFFAOYSA-N;126.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24356;MM24356;CNCC=C(C#N)C(C)=O;IXGWYXTUYUFUSK-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24358;MM24358;CC(=O)OC=NN(C)C=O;FASLEUBQTCACCE-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24359;MM24359;CC(=O)C(C)C(=N)N=CN;CELZOCBPFYXNFA-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24361;MM24361;CNC(C=COC)=NN;HVZNLRNEENKECW-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24362;MM24362;CC1(O)CC1O;JVGMPBHWDICBDY-UHFFFAOYSA-N;88.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24364;MM24364;CC1(O)CC1F;KDOAYBFIOLUFRR-UHFFFAOYSA-N;90.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24365;MM24365;CC1CC1(C)F;GZUVNBWHRBZUMN-UHFFFAOYSA-N;88.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24367;MM24367;CCN(C=O)N=COC=O;CCYULHYAZDRTSH-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24368;MM24368;CC1(F)CC1O;IJAXVKFYUGEWJO-UHFFFAOYSA-N;90.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24370;MM24370;CC1(F)CC1F;VKBGFONWMCELSG-UHFFFAOYSA-N;92.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24371;MM24371;CC1CC1(F)F;HSYZCEHTRWCKAM-UHFFFAOYSA-N;92.09;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24373;MM24373;C=CCNC(N)=CC=O;RSOUPBNJRLMKOM-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24375;MM24375;OC1CC1(F)F;BCNZWRRCPMSBMO-UHFFFAOYSA-N;94.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24376;MM24376;CC(=O)N(C)CCCF;QZPUUTYCROSWPB-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24378;MM24378;CC1OC1(C)C;QPBYBLZYMNWGMO-UHFFFAOYSA-N;86.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24379;MM24379;COC=NOC(=O)C#N;ORHVMHXITLMHSK-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24381;MM24381;CCC(C)CC;PFEOZHBOMNWTJB-UHFFFAOYSA-N;86.18;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24382;MM24382;COCCNC(N)=CC=O;BKBWLQLZMZFCFZ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24384;MM24384;C=NN=C(NC)NN=CC;FBQCYMVYBOXKLX-UHFFFAOYSA-N;141.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24385;MM24385;CCC(C)CF;HQNOCESAXBXZAY-UHFFFAOYSA-N;90.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24387;MM24387;CC(=O)N(C)CCCCF;CUGOEPCOUKFHIO-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24388;MM24388;C#CC(=NOC)C(=O)OC;ZUWAGQLXWWSPFT-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24390;MM24390;CC(CO)CO;QWGRWMMWNDWRQN-UHFFFAOYSA-N;90.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24391;MM24391;CC(CO)CF;HRPXBIFMRWNHRU-UHFFFAOYSA-N;92.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24392;MM24392;CC(CF)CF;OLURRGJWZJYRIM-UHFFFAOYSA-N;94.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24395;MM24395;C#CC(F)CN(C)C=O;WIKIAGKHULRIAC-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24397;MM24397;N#CC=C(N)OC=O;YTEAKQODACZOPB-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24399;MM24399;CC(C#N)=NOC(C)C#N;MIXXUQWLIHHGFX-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24401;MM24401;COC(C#N)CN(C)C=O;LEOFUDDXSZDZLT-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24402;MM24402;CN=C(N=CNC=N)OC;BRFURKZSVWPEGV-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24404;MM24404;C#CC(=N)N(C=O)OCC;BFEFKIXPHXYQNH-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24407;MM24407;C=CC(=N)NC=NN=C;LYABYZFCWVWZRO-UHFFFAOYSA-N;124.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24409;MM24409;C#CC(C)(C)CNCC=O;LDLAAFMUOYTEEY-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24410;MM24410;CN(C)C(N)=C(F)C=O;JHTIJJHOQALSIP-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24412;MM24412;CN(C)CCOC=NN;UOOWSKYEOPHRPJ-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24414;MM24414;CC#CC(=NN)C(=N)N;IKGWNKATNVICKC-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24416;MM24416;CCC(O)CO;BMRWNKZVCUKKSR-UHFFFAOYSA-N;90.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24418;MM24418;CCC(O)CF;MPGNSGYTEYWFIS-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24420;MM24420;CN=CNC(C#N)CC#N;BMDNICGIVONRQU-UHFFFAOYSA-N;136.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24422;MM24422;OCC(O)CF;PQDNJBQKAXAXBQ-UHFFFAOYSA-N;94.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24423;MM24423;OC(CF)CF;PVDLUGWWIOGCNH-UHFFFAOYSA-N;96.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24425;MM24425;CCC(F)CC;FBWYFZYJEAMPHJ-UHFFFAOYSA-N;90.14;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24428;MM24428;C=CCN(C)C(=O)N(C)C;CHHCFJKFOBCGON-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24429;MM24429;CCC(F)CO;BLYSPQXGKZNMJA-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24430;MM24430;CCC(F)CF;VHJOGNLCVJAXFE-UHFFFAOYSA-N;94.1;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24432;MM24432;CCN(C(C)=O)C(C)C;JKLZTFPCUURRBF-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24433;MM24433;CCOCCN(C)C=O;COIVSHJSNCTNTH-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24434;MM24434;OCC(F)CO;NWIQTMVDEWDMAM-UHFFFAOYSA-N;94.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24436;MM24436;OCC(F)CF;DSUJAEUBQCDOIH-UHFFFAOYSA-N;96.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24437;MM24437;FCC(F)CF;CAAVRWGWEIQJEH-UHFFFAOYSA-N;98.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24438;MM24438;C#CC(=N)N(C=O)OC;YTEDTUQZRXIQAP-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24440;MM24440;CC(C)=C(F)CN(C)C=O;PMEOEEOGPJXOBC-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24441;MM24441;C=C(C#N)C(=N)NCCF;ZVRNXZRAHMWWAR-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24442;MM24442;CN(C=O)CC(F)=CC#N;LFEOHPPTOGPEMF-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24444;MM24444;CCC(C)OC;FVNIMHIOIXPIQT-UHFFFAOYSA-N;88.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24445;MM24445;C#CC(C#C)CN(C)C=O;FANUKTDRBVBMJP-UHFFFAOYSA-N;135.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24446;MM24446;COC(C)CO;YTTFFPATQICAQN-UHFFFAOYSA-N;90.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24448;MM24448;COC(C)CF;JHOFOYLFVCONFW-UHFFFAOYSA-N;92.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24449;MM24449;COC(C)OC;SPEUIVXLLWOEMJ-UHFFFAOYSA-N;90.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24450;MM24450;COC(=CF)CN(C)C=O;AMLSAFOPRCWAGF-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24452;MM24452;C=CC(C)CC;LDTAOIUHUHHCMU-UHFFFAOYSA-N;84.16;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24453;MM24453;CCC(C)C=O;BYGQBDHUGHBGMD-UHFFFAOYSA-N;86.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24454;MM24454;CCC(C)C#N;RCEJCSULJQNRQQ-UHFFFAOYSA-N;83.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24456;MM24456;C=CCOCCN(C)C=O;WOWGYKZAQLDREA-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24457;MM24457;CC(C=O)CO;JTMCAHGCWBGWRV-UHFFFAOYSA-N;88.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24458;MM24458;CC(C#N)CO;COZQDNPLORIALF-UHFFFAOYSA-N;85.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24460;MM24460;C=CC(C)CF;JMYDKBCTDNYJCG-UHFFFAOYSA-N;88.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24462;MM24462;CC(C=O)CF;FGSQNGXPFOBJRZ-UHFFFAOYSA-N;90.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24464;MM24464;CC(C#N)CF;CHDFZIOVBJFWBU-UHFFFAOYSA-N;87.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24465;MM24465;N#CCCN(C=O)CCF;ZLOVFINPMVAHDN-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24467;MM24467;C#CCC=NN=CC;PDDHIPBSZKFUJD-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24468;MM24468;CN(C)C(=N)OC=NO;FUZODNSOQSRMQG-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24470;MM24470;COCC(C#N)=NOC;BYNZTZCTOQVTOL-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24471;MM24471;CCC(O)C=O;UIKQNMXWCYQNCS-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24473;MM24473;CCC(O)C#N;NHSSTOSZJANVEV-UHFFFAOYSA-N;85.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24474;MM24474;CC(=NO)N(O)C(=N)N;PQHSEDJWYBMRKN-UHFFFAOYSA-N;132.12;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24476;MM24476;C=CC(O)CO;ITMIAZBRRZANGB-UHFFFAOYSA-N;88.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24477;MM24477;O=CC(O)CO;MNQZXJOMYWMBOU-UHFFFAOYSA-N;90.08;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24478;MM24478;N#CC(O)CO;GLZDDCMPOSSPQC-UHFFFAOYSA-N;87.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24480;MM24480;C=CC(O)CF;LXKVRSCRNWIJPR-UHFFFAOYSA-N;90.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24482;MM24482;O=CC(O)CF;RDZXOFANRXUGCA-UHFFFAOYSA-N;92.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24484;MM24484;C=CC(F)CC;OZSQOSMBDJJIIJ-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluorobutanal;MM02277;CCC(F)C=O;NJNZFAYODVNZSC-UHFFFAOYSA-N;90.1;0.93;12710519;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24487;MM24487;CCC(F)C#N;IFDHKHNARPXCEQ-UHFFFAOYSA-N;87.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24489;MM24489;C=COC(=O)C=NOC;BLGMYTGNRFYMLH-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24491;MM24491;C=CC(F)CO;BVGFHDJXKIXOAJ-UHFFFAOYSA-N;90.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24493;MM24493;O=CC(F)CO;NYUZXLKYAMUCCX-UHFFFAOYSA-N;92.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24495;MM24495;N#CC(F)CO;LHAPCGKFCXLQGH-UHFFFAOYSA-N;89.07;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24497;MM24497;C=CC(F)CF;ZAXBKMVIBDNNPJ-UHFFFAOYSA-N;92.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24498;MM24498;O=CC(F)CF;KCPWYCKEQJPGEU-UHFFFAOYSA-N;94.06;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24500;MM24500;N#CC(F)CF;YPPILGHPUZCHOC-UHFFFAOYSA-N;91.06;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24502;MM24502;O=CON=COC=CF;YPYRAZWVYLOSCD-UHFFFAOYSA-N;133.08;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24504;MM24504;CN(CC#N)C(=O)C=CF;PQSWYVSWXMWMNV-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24506;MM24506;C=CC(C)OC;MALHZSOXIOUUQH-UHFFFAOYSA-N;86.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24508;MM24508;COC(C)C=O;HZVKHMQXJYFYRF-UHFFFAOYSA-N;88.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24509;MM24509;COC(C)C#N;SFPQDYSOPQHZAQ-UHFFFAOYSA-N;85.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24511;MM24511;CN(C=O)CCC#N;GNIARTJEBSBYFL-UHFFFAOYSA-N;112.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24513;MM24513;C#CCCN(C)C=O;QHQHRPBQJVTFPX-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24515;MM24515;C=C(C#N)CN(C)C=O;MZMQGVFTTMOZBO-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24516;MM24516;C=C(C)CNC(N)=CC=O;WCXQKCMEPZQGNJ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24518;MM24518;CCN(O)C=O;SVFMOIINCMVSKB-UHFFFAOYSA-N;89.09;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24519;MM24519;CCN(C=O)CCOC=O;OVXXKHMDHLZQRL-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24520;MM24520;CC(C)C(=O)N(C)C;GXMIHVHJTLPVKL-UHFFFAOYSA-N;115.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24522;MM24522;N#CC=CNCC#N;BLPMJSONGXGARL-UHFFFAOYSA-N;107.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24524;MM24524;C#CC(=C)CN(C)C=O;KUSIXJXFDALDLN-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24525;MM24525;CON(C)C=O;WHWRXFLOPJUZDK-UHFFFAOYSA-N;89.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24527;MM24527;C#CC(C)CC;PLHJCCHSCFNKCC-UHFFFAOYSA-N;82.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24529;MM24529;CCC(C)N(C)C(C)=O;TVHBLDSNZWUXEE-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24530;MM24530;C=NNC(CCN)=NO;NHDJRNHVMTWGPC-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24532;MM24532;C#CC(C)CF;YWFSRXZVROEBOV-UHFFFAOYSA-N;86.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24533;MM24533;COCC(C)N(C)C=O;HUWCENOFBLLOOI-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24535;MM24535;C=COC(C=O)=NOC;CQCZENIQWCRJKF-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24536;MM24536;CCCN(CC)C(C)=O;QEMHNJJFCDEBAX-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24538;MM24538;C#CC(O)CC;LBSKEFWQPNVWTP-UHFFFAOYSA-N;84.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24539;MM24539;C#CC(O)CO;GJMTYVRMTSLDDV-UHFFFAOYSA-N;86.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24541;MM24541;C#CC(O)CF;LDFLKJDUVJKHQB-UHFFFAOYSA-N;88.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24542;MM24542;C#CC(F)CC;VAYLATLUHDOIAZ-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24543;MM24543;CCN(C=O)CCOC;PISCURPYAUBHJO-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24545;MM24545;C#CC(F)CO;CFNUTTJLKYTIMJ-UHFFFAOYSA-N;88.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24547;MM24547;C#CC(F)CF;DOLWCFINXZHNIT-UHFFFAOYSA-N;90.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24549;MM24549;CON=CC(=O)C#CCF;XEKAKURUHUBBKG-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24551;MM24551;C#CC(C)OC;IQZDPIFYYGRHQI-UHFFFAOYSA-N;84.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24553;MM24553;C=CC(C)C=C;IKQUUYYDRTYXAP-UHFFFAOYSA-N;82.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24555;MM24555;C=CC(C)C=O;MFGWABPEZWYGGK-UHFFFAOYSA-N;84.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24557;MM24557;C=CC(C)C#N;WBAXCOMEMKANRN-UHFFFAOYSA-N;81.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methylpropanedial;MM02962;CC(C=O)C=O;VXYSFSCCSQAYJV-UHFFFAOYSA-N;86.09;0.02;98735;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methyl-3-oxopropanenitrile;MM02336;CC(C#N)C=O;IATHTLTVQXMDPC-UHFFFAOYSA-N;83.09;0.34;141318;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24561;MM24561;COCON=C(C=O)OC;PIBYRWRDDRSSKW-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24563;MM24563;C=CC(O)C=C;ICMWSAALRSINTC-UHFFFAOYSA-N;84.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24565;MM24565;C=CC(O)C=O;PPNVQCFSKPIRKK-UHFFFAOYSA-N;86.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24567;MM24567;C=CC(O)C#N;WKFMHXZXCCJSJK-UHFFFAOYSA-N;83.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24568;MM24568;CC(F)C(=NO)N(C)C=N;BLIDVIBDKFSOQO-UHFFFAOYSA-N;147.15;0.67;;;;;DOPC;MDCG;27;"2, +1";"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24570;MM24570;N#CC(O)C=O;CZURXYAVPNESFN-UHFFFAOYSA-N;85.06;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24572;MM24572;N#CC(O)C#N;QUAISPSYUPGGDD-UHFFFAOYSA-N;82.06;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24573;MM24573;C=CC(F)C=C;DVOYBAVNEYKMGS-UHFFFAOYSA-N;86.11;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluorobut-3-enal;MM02248;C=CC(F)C=O;WCFFFEPEUHTPSS-UHFFFAOYSA-N;88.08;0.71;55266593;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24575;MM24575;C=CC(F)C#N;GSNDKUIRFRKZPX-UHFFFAOYSA-N;85.08;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16569;MM16569;O=CC(F)C=O;RWXXZBHAXXHXLC-UHFFFAOYSA-N;90.05;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15609;MM15609;N#CC(F)C=O;BBDGCMVJMVSECX-UHFFFAOYSA-N;87.05;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoropropanedinitrile;MM02812;N#CC(F)C#N;WSCWPJNYTYPDJY-UHFFFAOYSA-N;84.05;0.37;18629942;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24578;MM24578;CN(C)C=O;ZMXDDKWLCZADIW-UHFFFAOYSA-N;73.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24580;MM24580;C=CN(C)C=O;OFESGEKAXKKFQT-UHFFFAOYSA-N;85.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24581;MM24581;C#CC(C=O)=CN(C)C;ZFIXXHYKCJZVSS-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24583;MM24583;C=CCCC(=O)N(C)C;VBIUZQGXHXBXHR-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24584;MM24584;CN(C=O)C=O;QWOKUXNYCLUKMH-UHFFFAOYSA-N;87.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24585;MM24585;CCC(=O)CCN(C)C=O;CZBLGHOTEWFYPQ-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24587;MM24587;CON=CC(=O)OC;DOOVDXPRGGINTD-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24588;MM24588;CN(C=O)CC(C)(F)C#N;BIDRSGPDGGXAAM-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24590;MM24590;C=C(CN(C=O)CC)OC;YRRIDEUKUDYOKE-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24591;MM24591;C=CC(COC)N(C)C=O;PZJNSCUCVIUXMM-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24593;MM24593;C=NN=C(NO)NN(C)C;MYKVQIKOVGLIFO-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24594;MM24594;C=CN(O)C=O;ZLPHELXVDRLDJE-UHFFFAOYSA-N;87.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24595;MM24595;N=CN(O)C=O;QFHKHBAQSDRVMO-UHFFFAOYSA-N;88.07;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24597;MM24597;C#CC(N)C(=O)N(O)C=N;GLGQZVHBWHHNRI-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;"0, +1";"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24598;MM24598;CCN(C)C=O;FJLHLDBEZKTSOK-UHFFFAOYSA-N;87.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24600;MM24600;C=CCN(C)C=O;HLOKOWLRHKENST-UHFFFAOYSA-N;99.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24601;MM24601;C#CC(C)C=C;BDVXPFSZOKCQIU-UHFFFAOYSA-N;80.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24603;MM24603;C#CC(C)C=O;XDIFZBLCRBYDHT-UHFFFAOYSA-N;82.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methylbut-3-ynenitrile;MM01981;C#CC(C)C#N;GOMQKDLAGXJDFM-UHFFFAOYSA-N;79.1;0.78;22939741;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24605;MM24605;CC=CCN(C)C=O;HCVSDRCJTNWYGK-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24607;MM24607;C#CC(O)C=C;YALSXYCXTKPOFY-UHFFFAOYSA-N;82.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24609;MM24609;C#CC(O)C=O;POZPFFJYBCOBPU-UHFFFAOYSA-N;84.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24611;MM24611;C#CC(O)C#N;NSTCQMYZIKBFHK-UHFFFAOYSA-N;81.07;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24613;MM24613;C#CC(F)C=C;DNRUHZOJFISCSU-UHFFFAOYSA-N;84.09;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluorobut-3-ynal;MM02229;C#CC(F)C=O;SMANBXAERDIBKO-UHFFFAOYSA-N;86.07;0.16;129862012;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24615;MM24615;C#CC(F)C#N;YRRVUUUHWAVDIY-UHFFFAOYSA-N;83.07;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24617;MM24617;C#CC(C)C#C;IIRXCFIWJAELDL-UHFFFAOYSA-N;78.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24619;MM24619;C=C(OC)C(=O)N(C)C;KWPWJRUZQCDGOB-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24621;MM24621;C#CC(O)C#C;BKDYPNZJRPEUEI-UHFFFAOYSA-N;80.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24622;MM24622;C#CC(F)C#C;HRBFIVXHCUJIAU-UHFFFAOYSA-N;82.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24625;MM24625;C=C(CC)CC;RYKZRKKEYSRDNF-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24626;MM24626;COC=CCN(C)C=O;HGDOPYUBJNSPJG-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24628;MM24628;C=C(CC)CO;JKLUVCHKXQJGIG-UHFFFAOYSA-N;86.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24630;MM24630;C=C(CC)CF;OGZYUTIWWCMENH-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24631;MM24631;CN(C=O)CC=CC=O;AXPPRBXGDAUAMI-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24633;MM24633;CN(C=NO)C(=N)NO;YNUYBFVOYSFQJR-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24635;MM24635;CC(CC#N)N(C)C=O;GSESNLWWMQJHMX-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24637;MM24637;C=C(CO)CO;JFFYKITVXPZLQS-UHFFFAOYSA-N;88.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24639;MM24639;C=C(CO)CF;PEAQVQKANADWAV-UHFFFAOYSA-N;90.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24641;MM24641;C=C(CF)CF;AKAQDSCODRVUDP-UHFFFAOYSA-N;92.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24642;MM24642;CCC(=O)CC;FDPIMTJIUBPUKL-UHFFFAOYSA-N;86.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24644;MM24644;CCC(=O)CO;GFAZHVHNLUBROE-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24647;MM24647;CCC(=O)CF;FHNBVEYDTSGFGE-UHFFFAOYSA-N;90.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24648;MM24648;O=C(CO)CO;RXKJFZQQPQGTFL-UHFFFAOYSA-N;90.08;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24650;MM24650;O=C(CO)CF;NNYGNUHHXCUDFL-UHFFFAOYSA-N;92.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,3-difluoropropan-2-one;MM02178;O=C(CF)CF;HKIPCXRNASWFRU-UHFFFAOYSA-N;94.06;0.49;228397;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24651;MM24651;CCCC(=O)N(C)CC;SSJOFYZNKQFVBK-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24653;MM24653;CCN(C=O)CCC#N;RBHUJQUOUVTSBA-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24655;MM24655;N#CC=COC=NOC=O;HSZCHOYDZVVMMO-UHFFFAOYSA-N;140.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24657;MM24657;CNCC(O)C(O)C#N;RULSOJCRTPWNDO-UHFFFAOYSA-N;130.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24659;MM24659;CC(=O)N(C)CC(C)C;WDNCREOLNPEBLB-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24661;MM24661;C=CC(CC#N)N(C)C=O;IZVGDYVFVHYSMO-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24663;MM24663;N#CC(O)C(C=O)N=CN;QTAVHSRQIIPFAI-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24664;MM24664;C#CCCC(=NO)C(=N)N;MALWCRODHVXXCN-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24665;MM24665;CCC(=O)NO;RSIPQHOWTCNEBI-UHFFFAOYSA-N;89.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24667;MM24667;CC#CCC(O)C(=N)NO;OWYYINOVHFEJNN-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24668;MM24668;CNC(=O)CO;WFAFGNCZWMJZCK-UHFFFAOYSA-N;89.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24670;MM24670;O=C(CO)NO;FCJYROQQBASEBI-UHFFFAOYSA-N;91.07;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24671;MM24671;CNC(=O)CF;IPEFMOGGPRUBRR-UHFFFAOYSA-N;91.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24672;MM24672;O=C(CF)NO;GQFPLPPFSVHUOV-UHFFFAOYSA-N;93.06;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24674;MM24674;C=C(CC)OC;TXTDTCYVDJMLRP-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24675;MM24675;C=C(C#N)C(C#N)=NOC;YQWPAQJTRWIMGD-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24676;MM24676;C=C(CO)OC;UQVXMJQJIBBGSK-UHFFFAOYSA-N;88.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24678;MM24678;C=C(CF)OC;SPEKULPBTHIVCT-UHFFFAOYSA-N;90.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24680;MM24680;CCC(=O)OC;RJUFJBKOKNCXHH-UHFFFAOYSA-N;88.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24681;MM24681;COCC(C#N)=C(N)C=O;UEYXKNRDFBJVRG-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24682;MM24682;COC(=O)CO;GSJFXBNYJCXDGI-UHFFFAOYSA-N;90.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24683;MM24683;COC(=O)CF;RJBYSQHLLIHSLT-UHFFFAOYSA-N;92.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24685;MM24685;C#CCON=C(C=O)OC;BXFWQARHBWLCOP-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24687;MM24687;CCC(F)CN(C)C=O;RNDJYQCHQLGSTM-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24689;MM24689;CNCC(=O)CC#CC#N;JVZVNBQKYLCMGR-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24691;MM24691;C=CNC(=O)C(N)CCC;BAUPERNHIQPNKF-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24692;MM24692;CNC(=O)NC;MGJKQDOBUOMPEZ-UHFFFAOYSA-N;88.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24694;MM24694;N=CN(O)C=CC(F)CO;ABSJGDVRMYOJKB-UHFFFAOYSA-N;148.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24696;MM24696;CNC(=O)NO;CMOKUAFPPCEHHF-UHFFFAOYSA-N;90.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24697;MM24697;NNC(=O)NO;CNRHKPRBIKMGPQ-UHFFFAOYSA-N;91.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24699;MM24699;O=C(NO)NO;IBTSIFIGTARYRB-UHFFFAOYSA-N;92.05;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24701;MM24701;C#CC=CC=NN=CC;JDGQWKAJPFJFRR-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24703;MM24703;CN(C=O)CC(F)CC#N;HTLDWPKOTYZLBN-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24704;MM24704;C=CN(O)C(=NN)N(C)N;GCUJJPQWGCFHAN-UHFFFAOYSA-N;145.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24705;MM24705;CNC(=O)OC;NYXHSRNBKJIQQG-UHFFFAOYSA-N;89.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24707;MM24707;COC(=O)NO;MTIIEXDARCCRDH-UHFFFAOYSA-N;91.07;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24709;MM24709;COC(=O)OC;IEJIGPNLZYLLBP-UHFFFAOYSA-N;90.08;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24711;MM24711;C=CC(=C)CC;IGLWCQMNTGCUBB-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24713;MM24713;C=C(C=O)CC;GMLDCZYTIPCVMO-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24715;MM24715;C=C(C#N)CC;TVONJMOVBKMLOM-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24717;MM24717;C=CC(CN(C)C=O)OC;FABDJHBKKCNOGI-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24719;MM24719;C=CC(=C)CO;LMYXCSGJPKDGLM-UHFFFAOYSA-N;84.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24720;MM24720;C=C(C=O)CO;QVBICLGJAQXLSA-UHFFFAOYSA-N;86.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24722;MM24722;C=C(C#N)CO;QQCSUIMCEIRRKH-UHFFFAOYSA-N;83.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24724;MM24724;C=CC(=C)CF;JXJQGWRHEGGQKQ-UHFFFAOYSA-N;86.11;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24725;MM24725;C=C(C=O)CF;IVEALGAUPRLFSI-UHFFFAOYSA-N;88.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24727;MM24727;C=C(C#N)CF;SDJBXEIYXLKNFN-UHFFFAOYSA-N;85.08;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24729;MM24729;C=CC(=O)CC;JLIDVCMBCGBIEY-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24731;MM24731;CCC(=O)C=O;RWHQMRRVZJSKGX-UHFFFAOYSA-N;86.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24733;MM24733;CCC(=O)C#N;JQLHQBWQAFDAGK-UHFFFAOYSA-N;83.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24735;MM24735;C=CC(=O)CO;LHBQGXZUVXFJRH-UHFFFAOYSA-N;86.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24736;MM24736;O=CC(=O)CO;JLPAWRLRMTZCSF-UHFFFAOYSA-N;88.06;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24738;MM24738;N#CC(=O)CO;AWYKXNOKMKXJHF-UHFFFAOYSA-N;85.06;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24740;MM24740;C=CC(=O)CF;GDABGNCKLYBRLM-UHFFFAOYSA-N;88.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-fluoro-2-oxopropanal;MM02151;O=CC(=O)CF;IOVSXLWBCYTLNG-UHFFFAOYSA-N;90.05;-0.28;196091;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-fluoroacetyl Cyanide";MM02128;N#CC(=O)CF;CYVPLLZBGMSEKT-UHFFFAOYSA-N;87.05;0.05;130027044;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24742;MM24742;C=COCC(C#N)=NOC;IMFKDTYOINJQSF-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24744;MM24744;C#CC(=NOC=O)OC=C;KGDNQLYPYAOFBW-UHFFFAOYSA-N;139.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24745;MM24745;CC(C)N(C)C=O;ZKTLKYRAZWGBDB-UHFFFAOYSA-N;101.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24747;MM24747;CCN(C=O)CC;SUAKHGWARZSWIH-UHFFFAOYSA-N;101.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24748;MM24748;N#CC(C#N)(CO)NC=N;QVZLPGCHTTXRLI-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24750;MM24750;NC(C=O)=NO;PTSBOOPGXTUVHT-UHFFFAOYSA-N;88.07;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24752;MM24752;CNC(=O)C=O;NOFKDVPQXNNKCA-UHFFFAOYSA-N;87.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24753;MM24753;CNC(=O)C#N;QBCPFJOHCNTZBD-UHFFFAOYSA-N;84.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24755;MM24755;C=CC(=O)NO;HQVFKSDWNYVAQD-UHFFFAOYSA-N;87.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24756;MM24756;O=CC(=O)NO;ZIZGHLTVSVOHEF-UHFFFAOYSA-N;89.05;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24758;MM24758;N#CC(=O)NO;RQCAREAVVCFQHW-UHFFFAOYSA-N;86.05;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24760;MM24760;C=CC(=C)OC;LYGKSUOGJYYSOI-UHFFFAOYSA-N;84.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24761;MM24761;C=C(C=O)OC;BNBWSNNWJPEFDF-UHFFFAOYSA-N;86.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24763;MM24763;C=C(C#N)OC;PEIBTJDECFEPAF-UHFFFAOYSA-N;83.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24765;MM24765;C=CC(=O)OC;BAPJBEWLBFYGME-UHFFFAOYSA-N;86.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24767;MM24767;COC(=O)C=O;KFKXSMSQHIOMSO-UHFFFAOYSA-N;88.06;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24768;MM24768;COC(=O)C#N;OBWFJXLKRAFEDI-UHFFFAOYSA-N;85.06;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24770;MM24770;C#CC(=C)CC;LAKYCCVWZNCNIO-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24772;MM24772;CN(C=O)N(C)CC#N;FVMGRKDVKINBHD-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24773;MM24773;C#CC(=C)CO;YRYSPWUYQBDGOD-UHFFFAOYSA-N;82.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24774;MM24774;C#CC(=C)CF;COOLVYFRUNVBFG-UHFFFAOYSA-N;84.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24776;MM24776;C#CC(=O)CC;GBCOTHPVQOTZKQ-UHFFFAOYSA-N;82.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24778;MM24778;C#CC(=O)CO;WKXOUNWADLPTLL-UHFFFAOYSA-N;84.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24780;MM24780;C=C(C=O)CN(C=O)CC;QHQWHPVENOIWSN-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24782;MM24782;C=NN=CC(=C)N(C)C=O;QRLILAHMRMHCRN-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24784;MM24784;CC=CN=C(CO)NC=N;WDFBMBDDJGNQTO-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24786;MM24786;C#CC(=O)NC;WBVNBTCOCIGBDL-UHFFFAOYSA-N;83.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24788;MM24788;C#CC(=O)NN;GRUHSDOCOBLLQH-UHFFFAOYSA-N;84.08;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24790;MM24790;C#CC(=O)NO;LDBUOFZLCOOVLS-UHFFFAOYSA-N;85.06;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24792;MM24792;C#CC(=C)OC;SYYKUPKSKSHFEN-UHFFFAOYSA-N;82.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24794;MM24794;C#CC(=O)OC;IMAKHNTVDGLIRY-UHFFFAOYSA-N;84.07;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24796;MM24796;C=CC(=C)C=C;VXBVLYQDVVHAHZ-UHFFFAOYSA-N;80.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24798;MM24798;C=CC(=C)C=O;MAIKQLKNUUQMOA-UHFFFAOYSA-N;82.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24799;MM24799;C=CC(=C)C#N;LEKIODFWYFCUER-UHFFFAOYSA-N;79.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24801;MM24801;C=C(C=O)C=O;IWHVMOHFIZRNDA-UHFFFAOYSA-N;84.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24803;MM24803;C=C(C#N)C=O;PPUWMENZLRYZSP-UHFFFAOYSA-N;81.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24805;MM24805;C=C(C#N)C#N;FCYVWWWTHPPJII-UHFFFAOYSA-N;78.07;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24807;MM24807;C=CC(=O)C=C;UCUUFSAXZMGPGH-UHFFFAOYSA-N;82.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24809;MM24809;C=CC(=O)C=O;SDQVYUNYDAWYIK-UHFFFAOYSA-N;84.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24811;MM24811;C=CC(=O)C#N;MJDVPXPHTLECMC-UHFFFAOYSA-N;81.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24813;MM24813;O=CC(=O)C=O;ICQNCHSXWNQIHC-UHFFFAOYSA-N;86.05;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24815;MM24815;N#CC(=O)C=O;QEZDGOYCPBVGGY-UHFFFAOYSA-N;83.05;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24817;MM24817;N#CC(=O)C#N;JSGHQDAEHDRLOI-UHFFFAOYSA-N;80.05;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24818;MM24818;C#CC(=C)C=C;MDCQHVMMIFCHAK-UHFFFAOYSA-N;78.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24821;MM24821;C#CC(=C)C=O;IRADGCCOOVZHAR-UHFFFAOYSA-N;80.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24822;MM24822;C#CC(=C)C#N;ISPLUUDLKXWYPN-UHFFFAOYSA-N;77.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24824;MM24824;C#CC(=O)C=C;MGCLOSOXNJKERR-UHFFFAOYSA-N;80.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24825;MM24825;C#CC(=O)C=O;SESSCQLBWANGMZ-UHFFFAOYSA-N;82.06;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24827;MM24827;C#CC(=O)C#N;VEAVXOMUTKVRCD-UHFFFAOYSA-N;79.06;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24829;MM24829;C#CC(=C)C#C;AGMZTYZEIYCOOL-UHFFFAOYSA-N;76.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24830;MM24830;C#CC(=O)C#C;HQQULPUXSRHOGE-UHFFFAOYSA-N;78.07;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24831;MM24831;CC=C(C)CC;BEQGRRJLJLVQAQ-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24832;MM24832;CCC(C)=CF;CVAGHOPBSLAOLN-UHFFFAOYSA-N;88.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24834;MM24834;N#CC(F)=C(N)C#CC=O;GRQFRENKYLBTJB-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24835;MM24835;CC(C=CF)N(C)C=O;JSCYWRWUAGLLSZ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24836;MM24836;CC=C(C)CO;NEJDKFPXHQRVMV-UHFFFAOYSA-N;86.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24837;MM24837;CC(=CF)CO;BTBINWJKNQZJTJ-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24838;MM24838;CC=C(C)CF;ZBPPWQIUYYVBQU-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24839;MM24839;CC(=CF)CF;CNFPGPIJQQCZMQ-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24840;MM24840;CC=C(F)CC;KOUNOBXGDXRSLR-UHFFFAOYSA-N;88.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24842;MM24842;C=CC(C)N(C)C=O;ICONLCAKBNACPY-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24844;MM24844;CC(C#N)NC=CC#N;YLHADEMSQDWHAR-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24846;MM24846;CC=C(F)CO;NWVNDFGYFPBENP-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24848;MM24848;OCC(F)=CF;OKLNBFSKTGQMKV-UHFFFAOYSA-N;94.06;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24849;MM24849;C=CCNC(N)=C(C)C=O;KBYVCORTYBBIFK-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24850;MM24850;CCC(O)CN=C(C)NO;XXGQPUQMVJSDHG-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24852;MM24852;C#CC#CC(NC)C(C)O;BQMKUUYVWMGJPF-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24854;MM24854;CCNCC#CC(=N)NO;PBGTWZINMPBWTE-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24856;MM24856;CC(CO)=NO;KJOVOWDUYRMJEG-UHFFFAOYSA-N;89.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24858;MM24858;CCN(C=O)CC=CC=O;ASRUFZIFRBTXGW-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24860;MM24860;C=NN=C(C#N)N(C)C;ZNGRNCIMMHZTLK-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24861;MM24861;CC(C#N)CN(C)C=O;BBQIMPSZCSCJCT-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24862;MM24862;CNC(C#CC(F)F)CO;LHABDIBHTRZNOA-UHFFFAOYSA-N;149.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24864;MM24864;CNN=C(N(C)N)N(C)O;DQBSBHMTLKFKST-UHFFFAOYSA-N;147.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24866;MM24866;C#CC(=CF)N(O)C=N;ZTKXNMBANWQEBX-UHFFFAOYSA-N;128.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24868;MM24868;CC(=NO)NO;CEMNRPYPLBVCAS-UHFFFAOYSA-N;90.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24870;MM24870;CC=C(C)OC;JWBPCSXRWORRAI-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24872;MM24872;COC(C)=CF;IYADRAFBCCMKLU-UHFFFAOYSA-N;90.1;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24874;MM24874;COC(C)=NO;JCXVPCYMKJTPEE-UHFFFAOYSA-N;89.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24875;MM24875;C=CC(C)=CC;BOGRNZQRTNVZCZ-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24877;MM24877;C=CC(C)=CF;UUTPZHWGFTZZDC-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24878;MM24878;CC=C(C)C=O;ACWQBUSCFPJUPN-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24879;MM24879;CC=C(C)C#N;IHXNSHZBFXGOJM-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24881;MM24881;CC(C=O)=CN;OEZAAXHZEMTBOV-UHFFFAOYSA-N;85.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24883;MM24883;CCN(C=O)CC(C)F;YIIHTWMXRRDGQK-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24885;MM24885;CC(C=O)=CF;CLKBKSGAGYWMIR-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24887;MM24887;CC(C#N)=CF;XKDLHPLNWLHVKC-UHFFFAOYSA-N;85.08;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24889;MM24889;C=CC(F)=CC;SVCCACWBOHRDCH-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24891;MM24891;C=CC(F)=CF;IRDNPJBRNZMWDK-UHFFFAOYSA-N;90.07;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24893;MM24893;CC=C(F)C=O;QHVYVQRIAQVFIB-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24895;MM24895;CC=C(F)C#N;YAKROXIONKATOK-UHFFFAOYSA-N;85.08;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24897;MM24897;NC=C(F)C=O;PBXALPIAXLCSMM-UHFFFAOYSA-N;89.07;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24899;MM24899;CC(F)C(C)N(C)C=O;JDOFDLXFKAHGNF-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24901;MM24901;O=CC(F)=CF;KIAVAULLWJAILV-UHFFFAOYSA-N;92.04;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24903;MM24903;N#CC(F)=CF;MWHNLUUZXJHEEQ-UHFFFAOYSA-N;89.04;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24905;MM24905;CC(=NN(C)C)C(=O)C#N;GVGISTLYQPVSHJ-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24907;MM24907;CC(C=O)=NO;PDQYOPNIPOWAFS-UHFFFAOYSA-N;87.08;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24908;MM24908;CC(C#N)=NO;LVKGJWJXYHLYQP-UHFFFAOYSA-N;84.08;0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24910;MM24910;C#CC(C)=CC;GRGVQLWQXHFRHO-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24912;MM24912;C#CC(C)=CF;CSJHPUCYGIWCTN-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24914;MM24914;C#CC(F)=CC;WZLQLIJQNXYFEJ-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24915;MM24915;C#CC(F)=CF;LJFWPBOLQTWFRE-UHFFFAOYSA-N;88.06;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24917;MM24917;CCC(=O)ON=C(C)C=O;BQHAMQRWQLIXKQ-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24918;MM24918;C#CC(C)=NO;KQIQNXJZUUAJFU-UHFFFAOYSA-N;83.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24920;MM24920;CCC1(C)CC1;CXYUCHDVLWUDNS-UHFFFAOYSA-N;84.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24922;MM24922;O=CN(CCF)CCCF;DWMOVCJCDIHMCI-UHFFFAOYSA-N;151.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24924;MM24924;CON=C(CO)N(C)C;UYLDRLFPKUDATM-UHFFFAOYSA-N;132.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24926;MM24926;CC1(CF)CC1;RBRBGSGTTGYKKT-UHFFFAOYSA-N;88.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24928;MM24928;C#CCOC(C=O)=NOC;IHYRYAHCAGUYEL-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24930;MM24930;C=C(C=O)C(=O)N(C)C;WBZXHJZCNJZSKS-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24932;MM24932;CON=C(C#N)CCC#N;AMLQDALJTXRRDW-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24934;MM24934;CN(C=N)N=CN(O)C=N;OSKWJEHDTZKUNV-UHFFFAOYSA-N;143.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24936;MM24936;CCONC(=NC)NO;KXAGYWZRJKYWNO-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24938;MM24938;OCC1(O)CC1;NAQUXQVIOQVIKV-UHFFFAOYSA-N;88.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24940;MM24940;OC1(CF)CC1;DRWLYLKWOQDKBW-UHFFFAOYSA-N;90.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24942;MM24942;CCC1(F)CC1;IYPJIFIEFDIOEM-UHFFFAOYSA-N;88.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24944;MM24944;CCON=C(C#N)COC;JNFAXOBUOBNJFJ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24945;MM24945;OCC1(F)CC1;UFEYSMRZZLYOCP-UHFFFAOYSA-N;90.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24947;MM24947;FCC1(F)CC1;JRLZKMSRYODYTC-UHFFFAOYSA-N;92.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24949;MM24949;CN(C)N(C=O)C(=N)C#N;ITAHZKUEBOUGBB-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24951;MM24951;COC1(C)CC1;QSSQIMMDYFQNKI-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24953;MM24953;C=CC(=O)ON=CC=O;RUCJRGHVKDWDJH-UHFFFAOYSA-N;127.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24955;MM24955;CCCN(C)C=O;SOZXLLYDRJGVCI-UHFFFAOYSA-N;101.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24957;MM24957;CCNN=C(NN)NO;UUCJTGVYEFCFLA-UHFFFAOYSA-N;133.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24959;MM24959;CCCCN(C)C=O;MCZIJQYYIXXDDA-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24961;MM24961;CCC1(C)CO1;QZXUQPKFNQQQAJ-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24963;MM24963;CN(C=O)CCCF;BPABWEFHRZOBIH-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24965;MM24965;CC1(CO)CO1;AAVHHYWBSVSPPN-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24967;MM24967;CC1(CF)CO1;WGGMXYOVJGMBDC-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24969;MM24969;O=c1occo1;VAYTZRYEBVHVLE-UHFFFAOYSA-N;86.05;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24971;MM24971;O=c1ocno1;AMAUBWJQOCCYQM-UHFFFAOYSA-N;87.03;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24973;MM24973;O=c1onno1;DSBHSXVLGZHNOH-UHFFFAOYSA-N;88.02;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24975;MM24975;CC1C(C)C1C;PSGQRAAEZLHVDT-UHFFFAOYSA-N;84.16;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24977;MM24977;C=CCCN(C)C=O;RXEQCRMYUYNFJT-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24979;MM24979;CC1C(C)C1F;REYLNXBSMHOQSQ-UHFFFAOYSA-N;88.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24981;MM24981;C#CC=CC=NN=C;HZPGRJCQDLORLB-UHFFFAOYSA-N;106.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24983;MM24983;CCNC(=NNC=N)NO;YLPVXFJGKKINMS-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24985;MM24985;CC(F)CCN(C)C=O;SMZVYDHGAJDAMG-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24987;MM24987;CC1C(O)C1O;DZDUOPZPUYXBFI-UHFFFAOYSA-N;88.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24989;MM24989;CC1C(O)C1F;CGEVHULCAREJJM-UHFFFAOYSA-N;90.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24991;MM24991;CC1C(F)C1F;FBKJFIUTEMDRNU-UHFFFAOYSA-N;92.09;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24992;MM24992;C=NN=CC=C(C)CF;DZMSOXWERIYNIC-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24994;MM24994;NC=CC(=O)C=NOC=O;JCNBDXXFLMFHLT-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24995;MM24995;OC1C(O)C1O;KOXBHHOQWVRQSB-UHFFFAOYSA-N;90.08;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24997;MM24997;OC1C(O)C1F;YHNIHQNBQMGJGF-UHFFFAOYSA-N;92.07;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM24998;MM24998;C#CCCNC(N)=CC=O;WUBQQSLGISFQJP-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25000;MM25000;CCCCCC;VLKZOEOYAKHREP-UHFFFAOYSA-N;86.18;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25002;MM25002;CC(C#N)CCN(C)C=O;GGOWRWNLGUCLHO-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25003;MM25003;C=C(F)CC(=N)N(C)O;AZWYJGZOYKJBRP-UHFFFAOYSA-N;132.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25004;MM25004;CCCCCF;OEPRBXUJOQLYID-UHFFFAOYSA-N;90.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25006;MM25006;C=NN=CCC=C(C)CF;IGJXEYFAKOJGOF-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25008;MM25008;C=NN=CCOC;AJHFYVNKWXMFOV-UHFFFAOYSA-N;100.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25009;MM25009;OCCCCF;SHOBGSRUFRALBO-UHFFFAOYSA-N;92.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25010;MM25010;FCCCCF;CXHPKSYTQFAXIN-UHFFFAOYSA-N;94.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25012;MM25012;C=C(CF)CN(C)C=O;OQIMJJGLSBDXSW-UHFFFAOYSA-N;131.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25013;MM25013;C=C(C)CN(C=O)CCF;FTYYQSOFZXCCEF-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25015;MM25015;CNC(OC)=C(C#N)C#N;GRPCMBOTGQIHEA-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25017;MM25017;CCCCOC;CXBDYQVECUFKRK-UHFFFAOYSA-N;88.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25019;MM25019;C#CCC=NN=C;GBAXBWRCHZSXRY-UHFFFAOYSA-N;94.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25021;MM25021;COCCCO;JDFDHBSESGTDAL-UHFFFAOYSA-N;90.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25023;MM25023;COCCCF;DLWJCJGOUGICLT-UHFFFAOYSA-N;92.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25025;MM25025;C=CCN(C=O)C(C)C;RGKPFPDFDHHYAP-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25027;MM25027;COCCOC;XTHFKEDIFFGKHM-UHFFFAOYSA-N;90.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25029;MM25029;CC(=CC=O)CN(C)C=O;OEISXCOAYCVNID-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25031;MM25031;CC(=CC#N)CN(C)C=O;WNTYIMJMDSADQE-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25033;MM25033;C#CC(=O)ON(C=N)C=O;JPAYBEKBIZUCOT-UHFFFAOYSA-N;140.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25034;MM25034;CCCOCC;NVJUHMXYKCUMQA-UHFFFAOYSA-N;88.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25036;MM25036;C#CC(C#N)=NOC;ZBVFSCPZKLSVHD-UHFFFAOYSA-N;108.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Ethoxyethanol;MM00792;CCOCCO;ZNQVEEAIQZEUHB-UHFFFAOYSA-N;90.12;0.02;8076;DB02249;ETX;CHEMBL119596;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25039;MM25039;CCOCOC;CHCLGECDSSWNCP-UHFFFAOYSA-N;90.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25041;MM25041;C=CCCCC;LIKMAJRDDDTEIG-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25043;MM25043;CCCCC=O;HGBOYTHUEUWSSQ-UHFFFAOYSA-N;86.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25045;MM25045;CCCCC#N;RFFFKMOABOFIDF-UHFFFAOYSA-N;83.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25046;MM25046;CN(C)N=C(C=O)C=O;OENZFOOKMRIDNN-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25047;MM25047;OCC1(CO)CN1;YMRIYVYRSVYUNR-UHFFFAOYSA-N;103.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25048;MM25048;O=CCCCO;PIAOXUVIBAKVSP-UHFFFAOYSA-N;88.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25050;MM25050;N#CCCCO;BAQQRABCRRQRSR-UHFFFAOYSA-N;85.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25051;MM25051;C=CCCCF;VIPRHKFYPRGVOD-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25053;MM25053;O=CCCCF;FYLHRUFFEZANKX-UHFFFAOYSA-N;90.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25055;MM25055;N#CCCCF;FJJJJRAPZCRYGA-UHFFFAOYSA-N;87.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25057;MM25057;C=COC=NOC(=O)OC;FXJJTDYRESNMGV-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25059;MM25059;CCC(C=O)CN(O)C=N;GONDQONIGXIVDX-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25061;MM25061;CC(C#N)=NOCCC#N;FIPMBAPNIKHPLL-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25063;MM25063;C=CCCOC;VDTUJQCSPFYIKZ-UHFFFAOYSA-N;86.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25065;MM25065;COCCC=O;OXGJKCALURPRCN-UHFFFAOYSA-N;88.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25067;MM25067;COCCC#N;OOWFYDWAMOKVSF-UHFFFAOYSA-N;85.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25069;MM25069;CN=C(C#N)N(C=N)C=O;VLPAEHRFFMPHOC-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25071;MM25071;CCCC(=NC=N)N(C)O;URYKQTFRSGUSKB-UHFFFAOYSA-N;143.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25073;MM25073;C=CCCN(C=O)CC;VATPCROMKZGPIQ-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25075;MM25075;C=CN(C)C(=NN)NN=C;AUWLKYGHPJPHPJ-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25077;MM25077;O=CNCCO;BAMUPQJDKBGDPU-UHFFFAOYSA-N;89.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25079;MM25079;CC(C#N)=CNCC#N;FVLIHEPMAWRPPA-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25081;MM25081;CCN(C=O)CCCF;AHGZAHRTDYHJDA-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25082;MM25082;CC(=NOC=O)OCC#N;HPGSZTNNWWNENW-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25084;MM25084;CN(C)C(C#N)=NOC=O;XBTXILBUQPZZIN-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25086;MM25086;C=COCCC;OVGRCEFMXPHEBL-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25088;MM25088;CCCOC=O;KFNNIILCVOLYIR-UHFFFAOYSA-N;88.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25090;MM25090;C=C(F)C(C=O)=NOC;HURPKOZEVUAYRW-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25092;MM25092;C=COCCO;VUIWJRYTWUGOOF-UHFFFAOYSA-N;88.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25094;MM25094;O=COCCO;UKQJDWBNQNAJHB-UHFFFAOYSA-N;90.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25095;MM25095;O=COCCF;MMNDXBQCAKGDMT-UHFFFAOYSA-N;92.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25096;MM25096;CNC(N)=CC(=O)C(C)C;CIGXTESPYBISFB-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25098;MM25098;CN(C)N=CC(=O)C#N;HMMMHVVLOMOUJQ-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25099;MM25099;CC(C)=C(C#N)C(=N)NO;IFENWINTSVMHKJ-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25100;MM25100;C=C(CF)CN(C=O)CC;JKZNCGHTQVJRKF-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25102;MM25102;C=COCOC;UVSNPDMUGCTOGJ-UHFFFAOYSA-N;88.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25104;MM25104;COCOC=O;VKWJMTLAAJULGF-UHFFFAOYSA-N;90.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25106;MM25106;C=CC(CCF)N(C)C=O;GCWOHIQUGPDJJW-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25108;MM25108;C=NN=CCN(C)C=O;NWYBESZLOMWRPH-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25109;MM25109;N#CCNN(C=O)C=O;CNNYCGXMJRERMS-UHFFFAOYSA-N;127.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25110;MM25110;CN(C=O)CC(C)(C)C#N;QHNPSYCWPDCOHV-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25112;MM25112;CNC(=O)C(N)CC(C)C;LIBDTAYIDBPBRN-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25114;MM25114;C=CCOCC;OJPSFJLSZZTSDF-UHFFFAOYSA-N;86.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25116;MM25116;CCOCC=O;IAHZBRPNDIVNNR-UHFFFAOYSA-N;88.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25117;MM25117;CCOCC#N;WPYUCWSMVJJWFI-UHFFFAOYSA-N;85.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25118;MM25118;C#CC(=NOC)C(=O)C=O;KJPSNJVEBCGODR-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25120;MM25120;CCONC=O;UOUCOSCMIOFHDV-UHFFFAOYSA-N;89.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25121;MM25121;C#CCCCC;CGHIBGNXEGJPQZ-UHFFFAOYSA-N;82.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25122;MM25122;CCCN=CN(C=O)OC;LJQDTKTWEWGEEL-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25124;MM25124;C#CCCCO;CRWVOXFUXPYTRK-UHFFFAOYSA-N;84.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25125;MM25125;C#CCCCF;MXYUEMWMHJSSSJ-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25126;MM25126;CN(C)C=CC(=O)C=O;NFVFMLVIFXITCK-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25128;MM25128;C#CCCOC;RCYIWFITYHZCIW-UHFFFAOYSA-N;84.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25130;MM25130;COC(C#N)=NN(C)C;GTTAQUJHVSYYLP-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25132;MM25132;C#CCOCC;ADJMUEKUQLFLQP-UHFFFAOYSA-N;84.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25133;MM25133;C=CCCC=C;PYGSKMBEVAICCR-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25134;MM25134;C=CCCC=O;QUMSUJWRUHPEEJ-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25136;MM25136;C=CCCC#N;CFEYBLWMNFZOPB-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25137;MM25137;O=CCCC=O;PCSMJKASWLYICJ-UHFFFAOYSA-N;86.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25138;MM25138;N#CCCC=O;CGFGIKNLZTZJDE-UHFFFAOYSA-N;83.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25140;MM25140;N#CCCC#N;IAHFWCOBPZCAEA-UHFFFAOYSA-N;80.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25141;MM25141;N=CN(C=O)OC(=O)CF;PVGLKLGJIDYWDY-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25142;MM25142;COC(ON=CN)C(C)=O;PHMXXWONEASVDG-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25144;MM25144;CC(C#N)=NOCCF;WQLVBCPYMIYXSX-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25145;MM25145;O=CCNC=O;HQJXAPWUFPJMDL-UHFFFAOYSA-N;87.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25146;MM25146;N#CCNC=O;HHENWUYAOCBSAE-UHFFFAOYSA-N;84.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25148;MM25148;C=CC(C#N)=NOC=O;DLKTTYPDVKAZJA-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25149;MM25149;CC(CC=O)NCCF;PBWDJSGMOLLLRZ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25150;MM25150;CCONC(=NN)NN;RGDQSBIVKONXPC-UHFFFAOYSA-N;133.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25152;MM25152;C=CCOC=C;ZXABMDQSAABDMG-UHFFFAOYSA-N;84.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25153;MM25153;C=CCOC=O;ZHHZHHSFKCANOC-UHFFFAOYSA-N;86.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25154;MM25154;C=COCC=O;APZPFVRUUMXYRZ-UHFFFAOYSA-N;86.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25156;MM25156;C=COCC#N;KKRSBZQGALLFJI-UHFFFAOYSA-N;83.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25157;MM25157;O=CCOC=O;MFRMAQFRVTUENW-UHFFFAOYSA-N;88.06;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25158;MM25158;N#CCOC=O;ZFLAEHBSVFWEHW-UHFFFAOYSA-N;85.06;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25160;MM25160;C=CC(=O)ON(C=N)C=O;KEROYBIWQPYHIL-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25161;MM25161;N#CC=C(N)C(C#N)=CF;FNDLEXFQDVTYJS-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25162;MM25162;CC(C#N)=NN(C=N)C=O;DIOHTJHXRARNGE-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25164;MM25164;O=CNNC=O;POVXOWVFLAAVBH-UHFFFAOYSA-N;88.07;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25165;MM25165;C=CC(=CC#N)NCC#N;REWOOAPDJQIGHP-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25166;MM25166;O=CNOC=O;PTXJQRBNKZRMEO-UHFFFAOYSA-N;89.05;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25168;MM25168;C#CCCC=C;GHGNRQPVGKFJIR-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25169;MM25169;C#CCCC=O;VWYVHZFRBJJWSM-UHFFFAOYSA-N;82.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25170;MM25170;C#CCCC#N;VMUWIDHKAIGONP-UHFFFAOYSA-N;79.1;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25172;MM25172;CCN(N=CC=O)C(C)=O;CTLXSFBSODVLLO-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25173;MM25173;C#CCNC=O;MTEWKKSTWKALQI-UHFFFAOYSA-N;83.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25174;MM25174;C#CCOC=C;RWZSJVGXOARUKI-UHFFFAOYSA-N;82.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25176;MM25176;C#CCOC=O;KDIDLLIMHZHOHO-UHFFFAOYSA-N;84.07;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25177;MM25177;CCC(=O)ON=CC=O;ALLHOMVCOKIXHO-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25178;MM25178;C#CCCC#C;YFIBSNDOVCWPBL-UHFFFAOYSA-N;78.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25180;MM25180;CC=CCCC;RYPKRALMXUUNKS-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25181;MM25181;CCCC=CF;RXIBYUVWJMXQDK-UHFFFAOYSA-N;88.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25182;MM25182;COCON=C(C)C#N;ACHYACRAGLGQGR-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25184;MM25184;C=NN=COC(N)=CC#N;BEQHWSXDOFKCCT-UHFFFAOYSA-N;138.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25185;MM25185;CC=CCCO;FSUXYWPILZJGCC-UHFFFAOYSA-N;86.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25186;MM25186;OCCC=CF;LRGCVFZRBYKSLO-UHFFFAOYSA-N;90.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25188;MM25188;FC=CCCF;YWTYNKNGQZFTMQ-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25189;MM25189;N#CC(=N)N(C=N)C=O;PABBWNZIRWFYAY-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25190;MM25190;CCCC=NO;KGGVGTQEGGOZRN-UHFFFAOYSA-N;87.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25192;MM25192;CNNC(=N)CC#N;KUOHGLGZFYKCLA-UHFFFAOYSA-N;112.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25193;MM25193;OCCC=NO;DANFQIDGSGBMPH-UHFFFAOYSA-N;89.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25194;MM25194;NC(=CC=O)NCCCF;KOAMONVTCIGRFV-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25196;MM25196;ON=CCCF;IGROUIXYDDURET-UHFFFAOYSA-N;91.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25197;MM25197;CCC(=O)ON(C=N)C=O;UNRUAJZYTROLFE-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25198;MM25198;COC(=NOCC#N)OC;UJFUCKJVQFMIMB-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25200;MM25200;CC=CCOC;LQBZMLRJLRSDNW-UHFFFAOYSA-N;86.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25201;MM25201;CCN=CN(C=O)OC;RPMQXNKECMIFSB-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25202;MM25202;COCC=NO;MVCQUSKTBSVSRY-UHFFFAOYSA-N;89.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25204;MM25204;C=C(C)C(=O)ON=CC=O;HDYKMEWCSFOUHS-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25205;MM25205;C=COC=NN(C=N)C=O;VWRHDMBYGTUMHB-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25206;MM25206;N#CC(=N)N(C=O)C(=N)N;NSASJLGPWHCOLJ-UHFFFAOYSA-N;139.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25208;MM25208;CC(=CC#N)NCC#N;JMRKAPLJUSFLPG-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25209;MM25209;CC=COCC;XDHOEHJVXXTEDV-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25210;MM25210;CCOCC(=O)C(C)NC;CIRXBCHOERYVLA-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25212;MM25212;CCOC=NO;LWZHQJFIHKRLKK-UHFFFAOYSA-N;89.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25213;MM25213;CNC(N)=C(C#N)C#N;TZYOYJLNDMBMSA-UHFFFAOYSA-N;122.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25214;MM25214;C=CCC=CC;PRBHEGAFLDMLAL-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25216;MM25216;CC=CCC=O;WUCQRXWCJPCWTQ-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25217;MM25217;CC=CCC#N;UVKXJAUUKPDDNW-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25218;MM25218;O=CCC=CF;QOTUPUIZZSTPMS-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25220;MM25220;N#CCC=CF;JNSHANZFNNSUFO-UHFFFAOYSA-N;85.08;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25221;MM25221;N#CCOC=NOC=O;XQARTKIYIUEPGQ-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25222;MM25222;C=CCC=NO;XVEFVIWIRUDCQF-UHFFFAOYSA-N;85.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25224;MM25224;O=CCC=NO;ZDVFRLNVNSAHSB-UHFFFAOYSA-N;87.08;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25225;MM25225;C=CCC(C#N)=C(N)C=O;DKMKGBGKDHLKOR-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25226;MM25226;CC=CNC=O;YPGALYQSFCHWGR-UHFFFAOYSA-N;85.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25228;MM25228;C#CC(C=O)=NOCC#N;XSLYLRJWPNUYCN-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25229;MM25229;COC(C=O)ON=CN;YCNRIEQTNQLVQY-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25230;MM25230;N=CN(C=O)OC=O;MHCVOTWQAXGYPP-UHFFFAOYSA-N;116.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25232;MM25232;C#CCNCC(=C)CC=O;YVDBOINJLDNLPZ-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25233;MM25233;NN=CNC=O;KNXYRKYWBUSROW-UHFFFAOYSA-N;87.08;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25234;MM25234;CN(C)C(=NN)NOC=O;RRHACYODISONJZ-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25236;MM25236;CN=CN=C(C#N)NC=N;VYOLRKSIYXBKDP-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25237;MM25237;C=NNC=NO;HQAGALWPXJUXIK-UHFFFAOYSA-N;87.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25238;MM25238;C#CC(C)C(NC)C(C)=O;SATOJPBQFSODFQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25240;MM25240;CC=NNC=O;UUNSLHUKPSZLOZ-UHFFFAOYSA-N;86.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25241;MM25241;C=COC=CC;YKLWPGCWVBBCTO-UHFFFAOYSA-N;84.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25242;MM25242;C=COC=CF;JSZXJSAAUNIPPB-UHFFFAOYSA-N;88.08;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25244;MM25244;CC=COC=O;UCYUOKBPKITUPP-UHFFFAOYSA-N;86.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25245;MM25245;O=COC=CF;GKOXFIQKGATULR-UHFFFAOYSA-N;90.05;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25246;MM25246;C#CC(=C)C(=O)C(C)NC;QXFQPJLIYUZCNR-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25248;MM25248;C=COC=NO;YBSAAGBFOHUCEP-UHFFFAOYSA-N;87.08;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25249;MM25249;C=NOC=NO;AKQRJLACCZTHIF-UHFFFAOYSA-N;88.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25250;MM25250;CCN(C=O)CC(C)C;RQXUUOVGFTUMLR-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25251;MM25251;C#CCC=CC;JLXNEPDKUYQIPV-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25252;MM25252;C#CCC=CF;DPVWOAWTCVSNIA-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25253;MM25253;C#CC(=O)ON=COC;GIXDVWJTFZWHGW-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25254;MM25254;C#CCC=NO;COMWEHYBERJLGN-UHFFFAOYSA-N;83.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25255;MM25255;CC#CCCC;MELUCTCJOARQQG-UHFFFAOYSA-N;82.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25256;MM25256;CCNC(N)=CC(=O)CC;OGMYNEPXAVCQSG-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25258;MM25258;CC#CCCO;IDYNOORNKYEHHO-UHFFFAOYSA-N;84.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25259;MM25259;CC#CCCF;YUCVXLZYMGHESJ-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25260;MM25260;C=COC=NOC(=O)C=O;APLNZIWEJVYRQP-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25261;MM25261;CC#CCOC;USIWFRXFQFZXGK-UHFFFAOYSA-N;84.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25262;MM25262;C=CCC#CC;RIGMRFDIWRRSMS-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25264;MM25264;CC#CCC=O;DAOZJOUHJZWTAG-UHFFFAOYSA-N;82.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Pent-3-ynenitrile;MM01982;CC#CCC#N;OWKRYNJWNLBLNR-UHFFFAOYSA-N;79.1;0.92;44719848;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25265;MM25265;C#CCC#CC;NJXXWBJAOFKNIR-UHFFFAOYSA-N;78.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25267;MM25267;CC=CC=CC;APPOKADJQUIAHP-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25268;MM25268;CC=CC=CF;DGSSLUGSBNCKBU-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25269;MM25269;C=CCC(C=O)=C(N)NC;SPBOUXWZFARKMG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25271;MM25271;CCCN(C=O)N=CC=O;IXVYJMPKWKRZRQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25272;MM25272;ON=CC=CF;IXMNSBJUDFREJS-UHFFFAOYSA-N;89.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25273;MM25273;COC(=N)N=CNC=N;FRCIJPJMRKSYKO-UHFFFAOYSA-N;128.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25275;MM25275;NN=CC=NO;RRMBYVDOTZXXFD-UHFFFAOYSA-N;87.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25276;MM25276;ON=CC=NO;LJHFIVQEAFAURQ-UHFFFAOYSA-N;88.07;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25277;MM25277;COCC(N)=C(C#N)C#N;AQXYVNXMFQXASF-UHFFFAOYSA-N;137.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25279;MM25279;CC#CC=CC;MASVKQBLNPTZME-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25280;MM25280;CC#CC=CF;NQWCDBGSQZPUQI-UHFFFAOYSA-N;84.09;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25281;MM25281;C=C(F)C(C#N)(C#N)NC;PPJYGBHSSNMRLY-UHFFFAOYSA-N;139.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25283;MM25283;CC#CC=NO;MNCPTFFIWNEOCF-UHFFFAOYSA-N;83.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25284;MM25284;CC#CC#CC;PCTCNWZFDASPLA-UHFFFAOYSA-N;78.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25285;MM25285;CCC=CCC;ZQDPJFUHLCOCRG-UHFFFAOYSA-N;84.16;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25287;MM25287;CON=C(C#CC=O)C=O;DHNYNBKJILESBI-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25288;MM25288;CON=C(C=O)C(C)F;WSEMOEADFJHRCN-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25289;MM25289;C=CC(C#N)=C(N)C=O;NEHGMQMKJCEEEV-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25291;MM25291;OCC=CCF;DGVJVBLCEUHWSZ-UHFFFAOYSA-N;90.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25292;MM25292;FCC=CCF;ABBQDHANZQEWHT-UHFFFAOYSA-N;92.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25293;MM25293;CC(=CN(C)C)C(=O)C=O;PKCZMEKRKQUCGW-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25295;MM25295;COC=CCO;DVVZSEJRZIFWCI-UHFFFAOYSA-N;88.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25296;MM25296;COC=CCF;GJYSLLUMHGXQSV-UHFFFAOYSA-N;90.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25297;MM25297;COC=COC;SJQBHNHASPQACB-UHFFFAOYSA-N;88.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25299;MM25299;CC=NN(C=O)C(=O)C#N;JJUIGWHGIJTURH-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25300;MM25300;C#CC(=O)OC(C)=NOC;KBCHBRFZOROAKG-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25301;MM25301;CC#CC=NN(C=O)C=O;MKYDBBUFSSMSJN-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25303;MM25303;NN=CC(F)(F)F;VRGRIJJSIADCND-UHFFFAOYSA-N;112.05;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25304;MM25304;C=CNC(=NN)OC;CQUFCKJVJKCZJI-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25305;MM25305;CNC(=N)OC(C)=NN;MEAYKVDYLCWJKV-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25306;MM25306;CCN(CC#N)N(C)C=O;MPJQFRHGNUOJBN-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25307;MM25307;C=CC=CCC;AHAREKHAZNPPMI-UHFFFAOYSA-N;82.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25308;MM25308;CCC=CC=O;DTCCTIQRPGSLPT-UHFFFAOYSA-N;84.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25309;MM25309;CCC=CC#N;ISBHMJZRKAFTGE-UHFFFAOYSA-N;81.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25310;MM25310;CC(=O)C(N)=CC#N;MEZHVXIURSUMSF-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25311;MM25311;C=CC=CCO;ACZNIBVNGPLHAC-UHFFFAOYSA-N;84.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25313;MM25313;O=CC=CCO;FXCMZPXXCRHRNK-UHFFFAOYSA-N;86.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25314;MM25314;N#CC=CCO;LZJDCFUZEZQGQR-UHFFFAOYSA-N;83.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25315;MM25315;C=CC=CCF;ZCMGJTUIICMSQV-UHFFFAOYSA-N;86.11;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25316;MM25316;O=CC=CCF;BKQNGQBUTFQUGI-UHFFFAOYSA-N;88.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25317;MM25317;N#CC=CCF;LIPQJCVLEZAHOZ-UHFFFAOYSA-N;85.08;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25319;MM25319;CNC=CC=O;AGSONCQUPWJXCJ-UHFFFAOYSA-N;85.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25320;MM25320;C#CC(=O)N(C=N)OC=O;SSIDNJKEDVFHAO-UHFFFAOYSA-N;140.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25321;MM25321;C=CC=COC;KOCUMXQOUWPSLK-UHFFFAOYSA-N;84.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25323;MM25323;COC=CC=O;XJQSLJZYZFSHAI-UHFFFAOYSA-N;86.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25324;MM25324;COC=CC#N;IPCRTSDORDQHRO-UHFFFAOYSA-N;83.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25325;MM25325;CNC(=CC=O)NCCF;XTMKNXHXTLAKHH-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25327;MM25327;N#CCC=NN(C=O)C=O;HDLPLZVAFOFIDK-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25328;MM25328;C=NN=CCO;DYPCAADLGKEOAN-UHFFFAOYSA-N;86.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25329;MM25329;C#CC=NN(C=O)C(C)=O;UKHVXNILIPZBFH-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25331;MM25331;CC#CC(N)=C(C#N)C#N;KWDAHQSQRDOGDZ-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03048;MM03048;CNN=CC#N;APXGLXNUXXADFD-UHFFFAOYSA-N;83.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25332;MM25332;N#CC=C(N)C=O;KZDGGNCVWKFOCW-UHFFFAOYSA-N;96.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methoxyiminoacetonitrile;MM02760;CON=CC#N;JDRCEMRHTYUUCJ-UHFFFAOYSA-N;84.08;0.14;53949916;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25334;MM25334;C#CC=CCC;CLFYLNSQRWCJAY-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25335;MM25335;CCN(C=O)N(C)CC#N;DCGYTHJVIXJWII-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25337;MM25337;C#CC=CCO;TWJDCTNDUKKEMU-UHFFFAOYSA-N;82.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25338;MM25338;C#CC=CCF;IXKNQDFCOAPNKA-UHFFFAOYSA-N;84.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25339;MM25339;C#CC=COC;VTWTUVLDYHBQTC-UHFFFAOYSA-N;82.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25341;MM25341;CNC(N)=CC=O;WFWACQKJRBONKK-UHFFFAOYSA-N;100.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25342;MM25342;CC(C#CC#N)=NOC=O;SRILJAWACPWBHX-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25344;MM25344;C=CC=CC=C;AFVDZBIIBXWASR-UHFFFAOYSA-N;80.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25345;MM25345;C=CC=CC=O;PPXGQLMPUIVFRE-UHFFFAOYSA-N;82.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25346;MM25346;C=CC=CC#N;STSRVFAXSLNLLI-UHFFFAOYSA-N;79.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25348;MM25348;O=CC=CC=O;JGEMYUOFGVHXKV-UHFFFAOYSA-N;84.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25349;MM25349;N#CC=CC=O;KLGZZUFCTPLCSG-UHFFFAOYSA-N;81.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25350;MM25350;N#CC=CC#N;KYPOHTVBFVELTG-UHFFFAOYSA-N;78.07;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25352;MM25352;C#CC(=NOC=O)OC;TZKCEXVWGRDRQC-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25353;MM25353;C#CC(=NN(C)C=O)OC;QTKZDJQZVPGPSO-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01957;MM01957;C=NN=CC#N;KILQLFQVLVGTLT-UHFFFAOYSA-N;81.08;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25355;MM25355;C#CC=CC=C;OGWJYLKDZYZYBA-UHFFFAOYSA-N;78.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25356;MM25356;C#CC=CC=O;LXRPWKJWAMRZSW-UHFFFAOYSA-N;80.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25357;MM25357;C#CC=CC#N;ZXFTWPNQZKQCAL-UHFFFAOYSA-N;77.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25359;MM25359;C#CC=NN=C;NVZSJEXFSNXALV-UHFFFAOYSA-N;80.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25360;MM25360;C#CC=CC#C;KIWAUQFHKHLABA-UHFFFAOYSA-N;76.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25361;MM25361;CCC#CCC;DQQNMIPXXNPGCV-UHFFFAOYSA-N;82.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25363;MM25363;C#CC(C#N)=NOCC;NEMKOAAPGHMICM-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25364;MM25364;CCC#CCO;WLPYSOCRPHTIDZ-UHFFFAOYSA-N;84.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25365;MM25365;CCC#CCF;FXJPQTSMAWPQEA-UHFFFAOYSA-N;86.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25367;MM25367;CC(F)(C#N)C=NOC=O;YEVPNCQYCVYXSQ-UHFFFAOYSA-N;144.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25368;MM25368;C#CC(N)=CC(=O)N(C)C;FLBDUCKOEAWZEM-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25369;MM25369;OCC#CCO;DLDJFQGPPSQZKI-UHFFFAOYSA-N;86.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25371;MM25371;OCC#CCF;IRVYEPAEBUFKRH-UHFFFAOYSA-N;88.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25372;MM25372;FCC#CCF;FVVVNCKGSNVGKQ-UHFFFAOYSA-N;90.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25373;MM25373;C=CC#CCC;BYSRUWKGUGERFI-UHFFFAOYSA-N;80.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25375;MM25375;CCC#CC=O;VLTOSDJJTWPWLS-UHFFFAOYSA-N;82.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25376;MM25376;CCC#CC#N;XZJKVEKIQIHCIZ-UHFFFAOYSA-N;79.1;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25377;MM25377;N#CC=C(N)C(=O)C=CN;LQSVKWGKZJSHTL-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25379;MM25379;C=CC#CCO;NUFXLGXWZFVTSU-UHFFFAOYSA-N;82.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25380;MM25380;O=CC#CCO;QAPQYLWHUDXNHY-UHFFFAOYSA-N;84.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25381;MM25381;N#CC#CCO;KSMNKZULGQZFCH-UHFFFAOYSA-N;81.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25383;MM25383;C=CC#CCF;RYMCEYWMKZKCHW-UHFFFAOYSA-N;84.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25384;MM25384;O=CC#CCF;YMWQMBOLAVQAFX-UHFFFAOYSA-N;86.07;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25385;MM25385;N#CC#CCF;VWMGPXDEUYLMDG-UHFFFAOYSA-N;83.07;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25387;MM25387;C#CC#CCC;AKOJBFZCIRFXBA-UHFFFAOYSA-N;78.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25388;MM25388;CN(C)C(=O)C=COC=O;JLGIVKIGDAHFQE-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25389;MM25389;C#CC#CCO;UZPGJRUGZGUXDE-UHFFFAOYSA-N;80.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25391;MM25391;C#CC#CCF;FEWMAAOGDBMJPQ-UHFFFAOYSA-N;82.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25393;MM25393;C=CC#CC=C;AUBDSFLQOBEOPX-UHFFFAOYSA-N;78.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25394;MM25394;C=CC#CC=O;JLUBUPKHHQVJFE-UHFFFAOYSA-N;80.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25397;MM25397;C=CC#CC#N;BPOCYUQIEPMXJL-UHFFFAOYSA-N;77.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25399;MM25399;O=CC#CC=O;AZEBXWRLBFPUTO-UHFFFAOYSA-N;82.06;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25400;MM25400;N#CC#CC=O;RCMBMNRBKRCHBO-UHFFFAOYSA-N;79.06;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25401;MM25401;N#CC#CC#N;ZEHZNAXXOOYTJM-UHFFFAOYSA-N;76.06;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25403;MM25403;C#CC#CC=C;YGUXSTHFRZRBLP-UHFFFAOYSA-N;76.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25405;MM25405;C#CC#CC=O;MHIQSTHHVCANOT-UHFFFAOYSA-N;78.07;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25407;MM25407;C#CC#CC#N;WRARULQOSOCOQD-UHFFFAOYSA-N;75.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25409;MM25409;C#CC#CC#C;MZHROOGPARRVHS-UHFFFAOYSA-N;74.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25411;MM25411;CCCC1CC1;MWVPQZRIWVPJCA-UHFFFAOYSA-N;84.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25412;MM25412;CN(C=O)N(C)C=CC#N;WWPPRWWDAUHWQE-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25414;MM25414;C#CCC(=NC=NC)NN;HTSCGNJGDAEDPV-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25416;MM25416;C#CC(=O)OC=NOC;NHQBRLWQNHWVSD-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25417;MM25417;N=CN(C=O)C(=N)C=O;BOZGXJGALHCJSB-UHFFFAOYSA-N;127.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25419;MM25419;CCOC1CC1;LZTCEQQSARXBHE-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25420;MM25420;C=C(C)C(=O)C=C(N)NC;YUSQHMLPTLAREB-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25421;MM25421;COC(C#N)=C(N)CC#N;KTITVCDTAVWVGY-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25423;MM25423;C#CC=COC=NOC=O;TZJPLYMFTSFJDR-UHFFFAOYSA-N;139.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25424;MM25424;CCCC1CO1;SYURNNNQIFDVCA-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25425;MM25425;CCNC(N)=CC=O;MXKXSAQFJYRZQK-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25427;MM25427;CON=CC(=O)C=O;HBNWCORJCDIRDF-UHFFFAOYSA-N;115.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25429;MM25429;C=CC(=O)N(C)CC#N;YXUAFTLXQLZRJA-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25430;MM25430;C=NN(C=O)C(=O)C#N;FMGOCDKYPRYOLM-UHFFFAOYSA-N;125.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25431;MM25431;C=CCC1CC1;KFOFBFGOHWSECN-UHFFFAOYSA-N;82.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25432;MM25432;O=CCC1CC1;TUHIBIVYQLRGME-UHFFFAOYSA-N;84.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25433;MM25433;N#CCC1CC1;FAUQRRGKJKMEIW-UHFFFAOYSA-N;81.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25434;MM25434;C#CC(N)=C(C#N)C#N;XZKNXQZXWVFHPZ-UHFFFAOYSA-N;117.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25435;MM25435;CN(C)C(=NC=O)OC=O;YADMWCLUWLBJCC-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25436;MM25436;C=COC1CC1;XRCVFFQSIMHODB-UHFFFAOYSA-N;84.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25437;MM25437;O=COC1CC1;KTUDDNXAXXAXII-UHFFFAOYSA-N;86.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25438;MM25438;CC=NN=C(C)C;SLQAICMXTFFTNQ-UHFFFAOYSA-N;98.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25439;MM25439;C=CC(=O)C(N)=CC#N;IRSLPCHVMNUDDV-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25440;MM25440;C#CCN=CNOCC#N;WTGXVEZRVIQLKR-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25441;MM25441;CC(C#N)OC=NOC=O;SSKRFSWATPVBLD-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25442;MM25442;C=CCC1CO1;SPXXVGQMQJYJJO-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25443;MM25443;O=CCC1CO1;ZQTMQOOMSAOMIF-UHFFFAOYSA-N;86.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25444;MM25444;N#CCC1CO1;PITLRSDLRTWZGP-UHFFFAOYSA-N;83.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25445;MM25445;COC(CF)=NOCC#N;ARPQRBXUOZASSI-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25446;MM25446;CN(C)C=NC(=N)C(=N)N;BHSAHWYVTGETJX-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25447;MM25447;COC=NN(C=N)C=O;KKKCYESXJOGZCE-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25448;MM25448;CCON=C(C)C(=O)C=O;KALFSVSOFAOAIG-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25449;MM25449;C#CCC1CC1;WYQUDTBKJDQONL-UHFFFAOYSA-N;80.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25450;MM25450;O=CC=COC=NOC=O;BTDRPIBUPKPISJ-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25451;MM25451;C#CCC1CO1;OVSJEFPNKYVHJZ-UHFFFAOYSA-N;82.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25452;MM25452;CC=CC1CC1;TWAJIXJFYMNJJO-UHFFFAOYSA-N;82.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25453;MM25453;N#CC(C#N)=C(N)N;KBGWULLXFVTZCA-UHFFFAOYSA-N;108.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25454;MM25454;CC#CC(=O)ON=COC;WLCBDVNNUXEFBE-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25455;MM25455;C=COC(N)=C(C#N)C#N;AJQDSIRRDGTUAI-UHFFFAOYSA-N;135.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25456;MM25456;CNC(C)(C)C=NO;CDDBRNRXWXBUBY-UHFFFAOYSA-N;116.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25457;MM25457;CC=CC1CO1;KOHBFAGTEWFCBI-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25458;MM25458;CCC(C=O)=C(N)NC;YYWXRBAOSBSMIM-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25459;MM25459;C=NN=CN(CC#N)OC;NYBFOHFSPOXMEH-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25460;MM25460;CCC(C#N)=NNC=N;GLSJVMSKUGTRNS-UHFFFAOYSA-N;124.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25461;MM25461;CC(C)C(C#N)=NNC=N;SBYIQEZVGCQIFM-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25462;MM25462;CCC(=O)C(=NOC)OC;OVOANMWKCMMFQF-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25463;MM25463;CC#CC1CC1;LIWWTIQFDBDUHK-UHFFFAOYSA-N;80.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25464;MM25464;CON(C(C)=N)C(=O)C#N;SBBSZPFROPTDHQ-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25465;MM25465;CC#CC1CO1;SDJQAECFEXCEPR-UHFFFAOYSA-N;82.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25466;MM25466;CCC1CC1C;SAHWBARCQUAFSM-UHFFFAOYSA-N;84.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25467;MM25467;CCON=C(C=O)OC;OEEQUOMWXSYXPM-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25468;MM25468;CC(C#N)ON=COC=O;LWVUKPUYXPPFEA-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25469;MM25469;C=CCON=C(C=O)OC;DRZUTIZPCDPZNA-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25470;MM25470;OCC1CC1O;NGVUURZMTYCUAE-UHFFFAOYSA-N;88.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25471;MM25471;CC(=CF)C(=O)N(C)C;ARRXXPTZVPDQJS-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25472;MM25472;CN(C)C(=O)C=CC#N;YZRYZNIZXIYWLQ-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25473;MM25473;CONC(=O)NN=CCN;FGPVJSAGDYRZQL-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25474;MM25474;COC1CC1C;FWTJMAAEPVDMQP-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25475;MM25475;CCOC(C=O)=NOC;LNMFNQSXCFFAND-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25476;MM25476;CC#CC(=NOC=O)OC;MDBIVGGSMDUWGF-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25477;MM25477;C=NN=CON(C=N)C=O;RPMYNHPPKZGMCK-UHFFFAOYSA-N;142.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25478;MM25478;CCC1OC1C;BCJPEZMFAKOJPM-UHFFFAOYSA-N;86.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25479;MM25479;C=CCOC(C=O)=NOC;PYBNHJUGWULLLW-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25480;MM25480;COC=CC(=O)N(C)C;MLADSFHWSYJDAK-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25481;MM25481;CC(C=O)=NOCC#N;CCODWJNSDBRECR-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25482;MM25482;C=CC1CC1C;JVVPJIPOOZHNTM-UHFFFAOYSA-N;82.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25483;MM25483;CC1CC1C=O;LUAHIAJUNPNXHL-UHFFFAOYSA-N;84.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25484;MM25484;CC1CC1C#N;MWIZMXFPLVYCEB-UHFFFAOYSA-N;81.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25485;MM25485;C=CC(=O)C=C(N)NCC;UKWAXFTXOCWIRS-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25486;MM25486;C=NOC(=O)NN=CCN;IPNNVMNJFBOQLE-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25487;MM25487;O=CC1CC1O;CMBGKWDTOCLUOM-UHFFFAOYSA-N;86.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25488;MM25488;N#CC1CC1O;GBNWSJSKIUPGHD-UHFFFAOYSA-N;83.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25489;MM25489;C#CC(=O)N(C=NC)OC;MIYZMNBXVFRHAG-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25490;MM25490;CC(C)OC(=O)NC(=N)N;SEOGIMTWRVIAKT-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25491;MM25491;CC=NN=C(C=O)N(C)C;YPDBGWSOSJFXNS-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25492;MM25492;C=CC1OC1C;SZERAFCDZCHRQS-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25493;MM25493;CC1OC1C#N;IQETWAGDQMEXEW-UHFFFAOYSA-N;83.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25494;MM25494;O=CN(C=O)N=CC=CF;PLAOOLMCIFRPOD-UHFFFAOYSA-N;144.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25495;MM25495;N=CNC(=O)NN=CCN;BUBKXUUYTWVNHQ-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25496;MM25496;N#CCOCON=CC=O;DGYFBDFZVLNJOD-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25497;MM25497;N#CCCC(N)=C(F)C#N;GDEDEOMFGNQRTP-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25498;MM25498;C#CC(=NOC=O)OCC;OKERRGSDDLRLAS-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25499;MM25499;C=C(C)C(C=O)=C(N)NC;LCCCCWNLLZILOG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25500;MM25500;C#CC1CC1C;ZBNBSZJUIQGIHK-UHFFFAOYSA-N;80.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25501;MM25501;CC=NN=CC;AYNNMBYJCNKVIJ-UHFFFAOYSA-N;84.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25502;MM25502;C#CC1CC1O;SMEFYTAFAGUMFA-UHFFFAOYSA-N;82.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25503;MM25503;C#CC1CC1F;MFRJBVSEUVJLTE-UHFFFAOYSA-N;84.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25504;MM25504;N#CCON=CC=O;GVZTWZLMCXXVPR-UHFFFAOYSA-N;112.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25505;MM25505;C#CC1OC1C;TXLOJCYJMNYENV-UHFFFAOYSA-N;82.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25506;MM25506;C#CC=CC(=O)N(C)C;MVUBWVOEQZEJEB-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25507;MM25507;CC(C)C1CC1;HPBROFGYTXOJIO-UHFFFAOYSA-N;84.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25508;MM25508;C=NN=C(C=O)N(C)C;CKEMEBDWKCTKRQ-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25509;MM25509;C=NNC(=O)NN=CCN;FAQOMHHQCAJXQO-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25510;MM25510;N#CCNN(C=O)C=CF;NHFAPWHINMNZQM-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25511;MM25511;CON=C(C#CC#N)OC;QCRDULGWWQXDDC-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25512;MM25512;C=CC(C)=NN=CC;HLZIIKPUOFPRAC-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25513;MM25513;NCC=NNC(=O)NC=O;CITRBSXXTDTSBB-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25514;MM25514;CC(C)C1CO1;REYZXWIIUPKFTI-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25515;MM25515;CCON=CC(=O)C=O;ZLTMNUIMKKAXKZ-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25516;MM25516;COC(C)=NOC(=O)C=O;LDSDTCJCLXRBCY-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25517;MM25517;C=C(C)C1CC1;MKPHNILWOMCVTH-UHFFFAOYSA-N;82.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25518;MM25518;CC(=O)C1CC1;HVCFCNAITDHQFX-UHFFFAOYSA-N;84.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25519;MM25519;C=CN(C(=O)C#N)N(C)C;BTJMHOFZVJXTEZ-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25520;MM25520;NC(=O)C1CC1;AIMMVWOEOZMVMS-UHFFFAOYSA-N;85.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25521;MM25521;C=C(F)C1CC1;BCSXJSQFOLALIC-UHFFFAOYSA-N;86.11;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25522;MM25522;CN(C)C(=O)C=CC=O;MIJZSSYTTIGBTI-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25523;MM25523;C#CC(=NOC)OC=O;WPHUDCNUXFDJQN-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25524;MM25524;C=C(C)C1CO1;JZQHTTYHPIAPCZ-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25525;MM25525;CON=C(C#N)C=CF;ZDDTVYIEHUERJX-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25526;MM25526;C=C(C)C(=O)N(C)CC#N;QUYUHNCWKGUJHO-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25527;MM25527;N#CCOC(N)=C(F)C#N;ZBLSNBBBLUSNFP-UHFFFAOYSA-N;141.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25528;MM25528;NC(=O)N1CC1;FFBZKUHRIXKOSY-UHFFFAOYSA-N;86.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25529;MM25529;COC=NOC(=O)OC;MHDAYMCYBILOIE-UHFFFAOYSA-N;133.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25530;MM25530;COCC(N)=C(F)C#N;RDHCSYLNBQYJCR-UHFFFAOYSA-N;130.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25531;MM25531;C#CC(=O)NN=CCN;MGMAAQGXBSDHAD-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25532;MM25532;CC(C)(O)CCO;XPFCZYUVICHKDS-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25533;MM25533;CC(C)(O)CCF;WVQGEEXDBSZVTF-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25534;MM25534;CN(C=O)C(C#N)=NC=N;LSSXCOBCATXBSZ-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25535;MM25535;C=CCC(C)=NN=C;JQEICBLXWZCPMJ-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25536;MM25536;CC(F)(F)CCF;HQBQVBKYYWQZHR-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25537;MM25537;C#CC(CF)=NN(C)C=O;ZDZGVUBAFCDXDQ-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25538;MM25538;CON=COC(C#N)=CF;VDPUOHRODBGXSB-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25539;MM25539;NCC=NNC(=O)CF;GATQFFJFRCUMNK-UHFFFAOYSA-N;133.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25540;MM25540;CCN=C(CF)N(C)C=O;GDDWDHROWDJHAB-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25541;MM25541;CCN(C=O)C(CF)=NC;XRCBIBBTRAGEKU-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25542;MM25542;C#CC=NOC(=O)C#N;WYESFQHCBZEZBR-UHFFFAOYSA-N;122.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25543;MM25543;COCC(C)(F)F;HZOJRIFCNTVMCF-UHFFFAOYSA-N;110.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25544;MM25544;COCC(F)(F)F;OHLVGBXMHDWRRX-UHFFFAOYSA-N;114.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25545;MM25545;CC(C)(O)CC=O;FXFBPKDQLDOIRG-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25546;MM25546;CC(C)(O)CC#N;CWPMDJFBWQJRGT-UHFFFAOYSA-N;99.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25547;MM25547;CC(C)(F)CC=O;WOFWCTRGXGTDDU-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluorobutanal;MM02369;CC(F)(F)CC=O;OQKCIWIPJRDGHN-UHFFFAOYSA-N;108.09;1.23;17868745;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25548;MM25548;CC(F)(F)CC#N;NAEOILZKOCQRHE-UHFFFAOYSA-N;105.09;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25549;MM25549;N#CCC(F)(F)F;WDGHUZCUXKJUJQ-UHFFFAOYSA-N;109.05;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25550;MM25550;C=NNC(=O)C#CC(C)N;JTOQCPRKIPLMOX-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25551;MM25551;CCNC(N)=C(C)C=O;JDIKSOXUUQPDOL-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25552;MM25552;C=COC(C=O)=NN(C)C;DBFKTKSPEOEMKT-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25553;MM25553;CC(O)C(=O)NN=CCN;BGKOHFMATYSXQH-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25554;MM25554;CC(C)(O)C=NO;DBKSGRRXLABONV-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25555;MM25555;CNC(=CC=O)NC;ZHDZLIWMFTYDNJ-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25556;MM25556;CON=CON=CC=O;MWTPUYUVYVUIHJ-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-(2,2,2-trifluoroethylidene)hydroxylamine;MM01595;ON=CC(F)(F)F;AGXIAHLLNDREAE-UHFFFAOYSA-N;113.04;1.01;54011712;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25557;MM25557;CC#CC(C)(C)C;FOALCTWKQSWRST-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25558;MM25558;COCCC(C#N)=NOC;RTECSFBHALHODE-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25559;MM25559;CC#CC(C)(C)O;JPKQHUHDYLMRJW-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25560;MM25560;CC(C)C(C)(C)C;ZISSAWUMDACLOM-UHFFFAOYSA-N;100.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25561;MM25561;N#CCCOC=NOC=O;MRNIJANRERFXLJ-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25562;MM25562;N#CC(C#N)=CN;RIOQOLSODGFOQV-UHFFFAOYSA-N;93.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25563;MM25563;CON=CON=C(C)C=O;YHEAUNLDJKHSTA-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25564;MM25564;C=COC=NOC=O;JKBGWPIUHKCGQY-UHFFFAOYSA-N;115.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25565;MM25565;COC(=O)CNC=CC#N;GHGMAWJFOUTIQR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25566;MM25566;COCC(=O)NN=CCN;PJBROAXNEVRTKL-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25567;MM25567;CC(O)C(C)(C)O;IDEOPBXRUBNYBN-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25568;MM25568;CC(F)C(C)(C)O;KVBBMCNRIZHRMS-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25569;MM25569;CC(C)(O)C(F)F;SFRBRCGHCPIOKB-UHFFFAOYSA-N;110.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25570;MM25570;CC(C)C(C)(C)F;VWQAPIJXLQYLHA-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25571;MM25571;CN(C)C(C=O)=NOC=O;YFHOBTMJVKQTMV-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25572;MM25572;C=NN=C(C)C;GHMCTVOHKPTWEZ-UHFFFAOYSA-N;84.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,1,1-trifluoropropan-2-ol;MM01664;CC(O)C(F)(F)F;GILIYJDBJZWGBG-UHFFFAOYSA-N;114.07;0.93;9774;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25573;MM25573;COC=NOC(=O)CF;PENFYZDODSMNBN-UHFFFAOYSA-N;135.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25574;MM25574;C=C(C)C(C)(C)C;AUYRUAVCWOAHQN-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25575;MM25575;CC(=O)C(C)(C)C;PJGSXYOJTGTZAV-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25576;MM25576;C=CNC(=O)NN=CCN;GRLZLWCAHLYCQC-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25577;MM25577;CCC(C#N)=NOC;MKRIJJPJYJCVCS-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25578;MM25578;CCNC=CC(=O)N(C)C;PHHBZVHVOATDTP-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25579;MM25579;CNC(C#N)(C#N)C=O;PHKLQTDILWDTFJ-UHFFFAOYSA-N;123.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25580;MM25580;C#CCC(=O)NN=CCN;FGOLOAYMXYEXRB-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25581;MM25581;CC(=O)C(C)(C)O;BNDRWEVUODOUDW-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25582;MM25582;CC(C)(O)C(=O)O;BWLBGMIXKSTLSX-UHFFFAOYSA-N;104.11;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-fluoro-2-methylbut-3-en-2-ol;MM01702;C=C(F)C(C)(C)O;QWAOKPDTHYQASW-UHFFFAOYSA-N;104.12;1.24;119096236;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25583;MM25583;C=C(C)C(C)(C)F;BFRDMJHRHXIQGK-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25584;MM25584;CC(=O)C(C)(C)F;RYPJPIBQBIHZJB-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25585;MM25585;C=COC(=O)C=NN(C)C;ZBELGTGIWBPCPS-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25586;MM25586;CC(C)(F)C(N)=O;FWYCTAYGNLLRHZ-UHFFFAOYSA-N;105.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluorobutan-2-one;MM02169;CC(=O)C(C)(F)F;MTESXKMRPCASBP-UHFFFAOYSA-N;108.09;1.23;12951109;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25587;MM25587;C=CC=NN=C(C)C;PAXZCHMKEPRTDC-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25588;MM25588;CC(F)(F)C(N)=O;XJGBNZRVGOENRN-UHFFFAOYSA-N;109.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2-difluoropropanoic Acid";MM01934;CC(F)(F)C(=O)O;PMWGIVRHUIAIII-UHFFFAOYSA-N;110.06;0.73;2782825;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25589;MM25589;NC(=O)C(F)(F)F;NRKYWOKHZRQRJR-UHFFFAOYSA-N;113.04;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2,2-trifluoroacetic Acid";MM01596;O=C(O)C(F)(F)F;DTQVDTLACAAQTR-UHFFFAOYSA-N;114.02;0.63;6422;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25590;MM25590;COC=C(C)C(=O)N(C)C;WDMRORMENHPJOD-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25591;MM25591;COCCON=C(C)C#N;OJZLCXJWVUBJAV-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25592;MM25592;C#CC(=O)N(C=O)N=CC;YEQUOBVMLWMCAW-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25593;MM25593;CC(O)CC(C)O;GTCCGKPBSJZVRZ-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25594;MM25594;CC(O)CC(F)F;CTEKRDCXQUAXMK-UHFFFAOYSA-N;110.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25595;MM25595;CC(F)CC(F)F;SLINIRAHGURZAM-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25596;MM25596;C=CC=NN=C(C)C=C;MSUZENVTUMSKBC-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25597;MM25597;CC(C)OC(C)C;ZAFNJMIOTHYJRJ-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25598;MM25598;C=C(C#N)C(C=O)=NOC;RLQQKNFCLCDPAD-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25599;MM25599;CC(C#N)=NNC=N;JWJNWQPCUPIGKF-UHFFFAOYSA-N;110.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25600;MM25600;C=CC(C)=NN=C;CMSXSTXXPISKEI-UHFFFAOYSA-N;96.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25601;MM25601;C=NN=CCC(=C)C;XSRGPFIYGCEJDZ-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25602;MM25602;CN(C)C(=O)NN=CCN;QDQLFJHZDUJJTN-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25603;MM25603;CC(=O)CC(C)O;PCYZZYAEGNVNMH-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
(r)-3-hydroxybutanoate;MM17402;C[C@@H](O)CC(=O)O;WHBMMWSBFZVSSR-GSVOUGTGSA-N;104.11;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25604;MM25604;C=C(C=O)C(C#N)=NOC;FEBBVJWZVLOWAO-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25605;MM25605;CC(F)CC(N)=O;VZDFJBKPSZBWTP-UHFFFAOYSA-N;105.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-fluorobutanoic Acid";MM03727;CC(F)CC(=O)O;IVZLYBOVPBJRAG-UHFFFAOYSA-N;106.1;0.82;15578254;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25606;MM25606;C=C(C)CC(F)F;NQRRDWDXLFTCKB-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25607;MM25607;N#CCCON=COC=O;WUYFOKMYYQVCJC-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25608;MM25608;C=NN=CC;JLBYTDDKMANYSA-UHFFFAOYSA-N;70.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25609;MM25609;C=CCC(=O)NN=CCN;WVUJMAKOFIVKDE-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25610;MM25610;CNC(N)=CC(=O)N(C)C;CHUYMBZIWICBOC-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25611;MM25611;CC(C)NC(N)=O;LZMATGARSSLFMQ-UHFFFAOYSA-N;102.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25612;MM25612;C=CC(=NOC)C(=O)C#N;ZBYOKKKDADWDNC-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25613;MM25613;CC(C)OC(N)=O;OVPLZYJGTGDFNB-UHFFFAOYSA-N;103.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25614;MM25614;C=NN=C(C)C=CC;BIXXERPQCQFDHA-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25615;MM25615;CNC(=O)NN=CCN;WVZRCFDIIJPCKP-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25616;MM25616;C#CC(CF)=NNC=N;NHZICGXHTNDJNO-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25617;MM25617;CN(C)NC(N)=O;SVZFWZRCMLRFOM-UHFFFAOYSA-N;103.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25618;MM25618;C=C(C)CC(C)=O;VADUDTKCGJKNDY-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25619;MM25619;C=C(F)C=NN(C)C=O;LNTSBGVHCPEOEZ-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25620;MM25620;C=C(C)CC(N)=O;FQGPWDVZYOJHCB-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25621;MM25621;C=C(C)CC(=O)O;IGRURXZWJCSNKU-UHFFFAOYSA-N;100.12;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25622;MM25622;CC(=O)CC(C)=O;YRKCREAYFQTBPV-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25623;MM25623;NCC=NNC(=O)CCO;LXYNWZWWWVJDRZ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25624;MM25624;CC(=O)CC(N)=O;GCPWJFKTWGFEHH-UHFFFAOYSA-N;101.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25625;MM25625;C=C(F)CC(N)=O;OBBVYJWUDRSOGJ-UHFFFAOYSA-N;103.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25626;MM25626;CNC(C)=CC(=O)N(C)C;URIVFFJPLYUMHM-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25627;MM25627;C=C(C)NC(C)=O;RFGFCICNGCPXQJ-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25628;MM25628;C=CCCC=NN=C;HMPYDGHDHJXFAY-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25629;MM25629;C=C(C)NC(N)=O;OCMKJKWPTATBRR-UHFFFAOYSA-N;100.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25630;MM25630;CC=CC=NN=CC;ZNSLIANVDBIZBK-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25631;MM25631;CCCC(=O)NN=CCN;SBZAJURRPNRGOB-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25632;MM25632;NC(=O)NC(N)=O;OHJMTUPIZMNBFR-UHFFFAOYSA-N;103.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25633;MM25633;O=CON=COCCF;BKWNXBQYFOKCPO-UHFFFAOYSA-N;135.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25634;MM25634;C=NN=CCC;CIPIAPNWTLWNSY-UHFFFAOYSA-N;84.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25635;MM25635;CC(C#N)ON=CC=O;OFOVHHSFXWUHEX-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25636;MM25636;CC(=O)C=C(C)C;SHOJXDKTYKFBRD-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25637;MM25637;CC(=O)C=C(C)N;OSLAYKKXCYSJSF-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25638;MM25638;C=CN(N=CC#N)C(=N)N;XXHNYLNOSPAOMS-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25639;MM25639;CC(=O)C=C(F)F;SERFTKLOHLXCLF-UHFFFAOYSA-N;106.07;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25640;MM25640;C=CC(=O)N(C)CCC#N;LHIHODGUBXALDL-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25641;MM25641;C#CC(=NOCC)OC=O;TZOUVMDMPWVBPV-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25642;MM25642;C=C(C#N)N(C=O)N(C)C;JUULFWOXYUONHA-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25643;MM25643;C=CC(=O)NN=CCN;KQFYHLNGOSDEKA-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25644;MM25644;CC(C)=CC(=O)O;YYPNJNDODFVZLE-UHFFFAOYSA-N;100.12;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25645;MM25645;CC(N)=CC(=O)O;UKVYVZLTGQVOPX-UHFFFAOYSA-N;101.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3,3-difluoroprop-2-enoic Acid";MM03304;O=C(O)C=C(F)F;KJBJUTSBUKQIKR-UHFFFAOYSA-N;108.04;0.85;12929805;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25646;MM25646;CC1(C)CC1(C)C;JCHUCGKEGUAHEH-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25647;MM25647;C=CC(=O)N(C)C;YLGYACDQVQQZSW-UHFFFAOYSA-N;99.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25648;MM25648;COC=NOC(=N)NC=N;STNXMJSGKHYCQE-UHFFFAOYSA-N;144.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25649;MM25649;CON=COC(=O)CF;BUWTTZAMNPGQJI-UHFFFAOYSA-N;135.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25650;MM25650;CC1(C)OC1(C)C;SYQIWVMFOAHDMK-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25651;MM25651;CCC(C)(C)CC;AEXMKKGTQYQZCS-UHFFFAOYSA-N;100.21;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25652;MM25652;C=NN=C;NBHLEUNJGNIKRR-UHFFFAOYSA-N;56.07;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25653;MM25653;N#CC(O)CN(O)C(=N)N;GJHLHPKWHPQZHJ-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25654;MM25654;CCC(C)(C)CF;XMZRJLDTNODSMN-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25655;MM25655;CON=COC(=O)OC;RTGUSMQKDZFOFK-UHFFFAOYSA-N;133.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25656;MM25656;CN(C)C(=O)C=CCC#N;GYNQIWJYHXQYRN-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25657;MM25657;CC(C)(CO)CO;SLCVBVWXLSEKPL-UHFFFAOYSA-N;104.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25658;MM25658;CN(C)C(C#N)(C#N)C=O;VMEWPVXKMBDPQG-UHFFFAOYSA-N;137.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25659;MM25659;CN=CN(C=N)C(=O)C#N;XTQIFRXEVYDPFL-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25660;MM25660;NCC=NNC=O;QMIFBVCKHNQAPP-UHFFFAOYSA-N;101.11;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25661;MM25661;C=NN=C(C)N(C=N)C=O;CDDMQIHHWDWDQZ-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25662;MM25662;C=CC(=N)NC(C=C)=NO;UOJVEXHNCMOLFM-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25663;MM25663;C#CC(NC=N)=C(F)CO;FGVGQIKZYFLZGE-UHFFFAOYSA-N;142.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25664;MM25664;CC(=CC#N)N(O)C(=N)N;PRMTXNGHAWMNJL-UHFFFAOYSA-N;140.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25665;MM25665;CCC(C)(O)CO;DOPZLYNWNJHAOS-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25666;MM25666;C=CC(C)(N)C#CC(C)O;IPWANXJQUYMJGB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25667;MM25667;C#CCC(N)C#CC(C)O;LOOQSGUVTNTHAR-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25668;MM25668;CC(O)(CO)CO;OOJRTGIXWIUBGG-UHFFFAOYSA-N;106.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25669;MM25669;CC(O)(CF)CF;IPZWMUKQYSFOOD-UHFFFAOYSA-N;110.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25670;MM25670;CCC(C)(F)CC;VNHGXFJVSYNGJQ-UHFFFAOYSA-N;104.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25671;MM25671;C=NN=CC(=C)C;GGHQWSOBMNHUAL-UHFFFAOYSA-N;96.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25672;MM25672;N#CCN(C=N)C(=O)C#N;WGQZPTWWIYKNKK-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25673;MM25673;N=CNN=C(CF)NC=O;LCBHXBCRHLGWCL-UHFFFAOYSA-N;146.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25674;MM25674;CC(F)(CO)CO;BRUWUDHHHYZEBK-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25675;MM25675;CC(F)(CO)CF;DDBMNXSSIXFXPD-UHFFFAOYSA-N;110.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25676;MM25676;CCC(F)(F)CC;ADKOKWOWUJDRJK-UHFFFAOYSA-N;108.13;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25677;MM25677;C=CC=NN=CC=C;ZPBDJEQIHLVIIF-UHFFFAOYSA-N;108.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25678;MM25678;C=CC=NN=C;WYVIUEKRWSKPON-UHFFFAOYSA-N;82.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25679;MM25679;OCC(F)(F)CO;AMCKYDINHDOOCB-UHFFFAOYSA-N;112.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25680;MM25680;OCC(F)(F)CF;IBLQQEDNSBPPED-UHFFFAOYSA-N;114.07;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25681;MM25681;C=CC(=O)C=NOCC#N;YBWCYEKXZOVFKF-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25682;MM25682;CC(N)=C(C#N)C#N;RARBUZWPZHQBHW-UHFFFAOYSA-N;107.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25683;MM25683;C#CCOC=NOC=O;LKEPKQFWIYFIMD-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25684;MM25684;CCC(C)(C)OC;HVZJRWJGKQPSFL-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25685;MM25685;COC(=CC#N)NCC#N;SFSCRZBZVLWGQT-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25686;MM25686;COC(C)(C)CO;VMPUAIZSESMILD-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25687;MM25687;COC(C)(C)OC;HEWZVZIVELJPQZ-UHFFFAOYSA-N;104.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25688;MM25688;C=CC(C)(C)CC;TXBZITDWMURSEF-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25689;MM25689;CCC(C)(C)C=O;QYPLKDUOPJZROX-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25690;MM25690;CCC(C)(C)C#N;OSEGNECCBMDWRB-UHFFFAOYSA-N;97.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25691;MM25691;C=COC=NN(C)C=O;NAUBHBSUSOMPNU-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25692;MM25692;C#CCC(=C)N(O)C=N;YNRJYPWCNZASAN-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25693;MM25693;CC(C)(C=O)CO;JJMOMMLADQPZNY-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25694;MM25694;CC(C)(C#N)CO;WWXFHHXOVMQARV-UHFFFAOYSA-N;99.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25695;MM25695;CC(C)(C=O)CF;HCOWLGWOVITZJB-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25696;MM25696;CC(C)(C#N)CF;ZGRFFGFMUZGMGJ-UHFFFAOYSA-N;101.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25697;MM25697;CON(C=N)C(=O)C(C)C;UWXCLPGVWFXZIV-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25698;MM25698;C=COCC(C=O)=NOC;SDBUTYKFIOGSEZ-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25699;MM25699;CONC(=NN)NC(N)=O;NJLVPRPATZOKRE-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25700;MM25700;C=C(C)N(C=O)N=COC;SXMNLCXHPDSGAI-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25701;MM25701;CN(O)C(=N)N(C)O;WABPLDVVCLWNOI-UHFFFAOYSA-N;119.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25702;MM25702;CCC(C)(O)C=O;MEHIGMLPKIJWEA-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25703;MM25703;CCC(C)(O)C#N;VMEHOTODTPXCKT-UHFFFAOYSA-N;99.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25704;MM25704;CNN=C(NO)NC(N)=O;XNIHNNOTFZLIME-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25705;MM25705;C=CC(C)(O)CO;XZRGYMKUQMPDQH-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25706;MM25706;CC(O)(C=O)CO;JBCPUXACCOWZEB-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25707;MM25707;CC(O)(C#N)CO;LVWXFBPEZPFFAI-UHFFFAOYSA-N;101.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25708;MM25708;C=CC(C)(O)CF;YQRISZUADAIXMP-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25709;MM25709;C=CC(C)(F)CC;PHJAMCIKWIFZBH-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25710;MM25710;CCC(C)(F)C#N;OLGNQUJAWFDNNH-UHFFFAOYSA-N;101.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25711;MM25711;C=C(C)C(=O)N(C)C;QRWZCJXEAOZAAW-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25712;MM25712;C=CC(C)(F)CO;CCOSWAYGOFSFOW-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25713;MM25713;CC(F)(C=O)CO;BVLBMVPEBJPNSH-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25714;MM25714;CC(F)(C#N)CO;FVHWBKBREPYVGV-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25715;MM25715;CC(F)(C=O)CF;NYQCIDHZNFBQAK-UHFFFAOYSA-N;108.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25716;MM25716;C=CC(F)(F)CC;JVRPULJNJPROKP-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25717;MM25717;CCC(F)(F)C=O;CJOXVLREMABKOM-UHFFFAOYSA-N;108.09;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25718;MM25718;CCC(F)(F)C#N;PYNWBHDQARGDHJ-UHFFFAOYSA-N;105.09;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25719;MM25719;COC(=O)C=CN(C)C;MVPDNJQLPITPIX-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25720;MM25720;C=CC(F)(F)CO;FRIPDNZTJSUONV-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25721;MM25721;O=CC(F)(F)CO;GHDIHGHMPLXJDX-UHFFFAOYSA-N;110.06;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25722;MM25722;C#CC(=O)N(C=O)N=C;WJNPDWWGZJJTRS-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25723;MM25723;COC(=O)N(C)NCC#N;NREFPBFMJHYQRM-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25724;MM25724;C=CN(N=COC)C(C)=O;BXBYSULUIYRBQI-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25725;MM25725;C=CC(C)(C)OC;KZFIDRJBGCIAOG-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25726;MM25726;COC(C)(C)C=O;HSCUZOQCNBPBST-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25727;MM25727;COC(C)(C)C#N;GREBWGAVFUQVPM-UHFFFAOYSA-N;99.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25728;MM25728;C#CC(C)(C)CC;KQIIKSQUHGGYCU-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25729;MM25729;C=NN=CC=CC;JGORTMOBIQAWNE-UHFFFAOYSA-N;96.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25730;MM25730;CC=NOC(CO)CNC;GRLHBBRYYPXXSV-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25731;MM25731;C#CC(C)(C)CF;GIUVWEBCULDEHG-UHFFFAOYSA-N;100.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25732;MM25732;CON(C)C(C#N)=NC=N;YBDIBZHAFXSUMQ-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25733;MM25733;CON=C(C=O)CCC#N;CNTNRMARPOBDFO-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25734;MM25734;CC(=NCC(C)O)NO;NTVLPGDGFIXQOC-UHFFFAOYSA-N;132.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25735;MM25735;C=CN(C=O)NCC#N;GPDMHKVZFITCRX-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25736;MM25736;C#CC(C)(O)CC;QXLPXWSKPNOQLE-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25737;MM25737;CN=C(NN)C(C)=NO;CFISSXWTTFYOJT-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25738;MM25738;C#CC(C)(O)CO;DNPYVGLYJDMWQT-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25739;MM25739;C#CC(C)(F)CC;MWRWQURLZCWBIP-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25740;MM25740;CCON(C=N)C(=O)CC;DARDXWPHNLXFMD-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25741;MM25741;C#CC(C)(F)CO;XOTVOAJYRDLGKN-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25742;MM25742;CON=C(C=O)C(C)OC;CTTDHCVMLAIVBI-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25743;MM25743;C#CC(F)(F)CO;JAJAMRLOTVSPQG-UHFFFAOYSA-N;106.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25744;MM25744;CON=C(C#N)C=CC#N;YKZWJYNSECIBRD-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25745;MM25745;C#CC(C)(C)OC;ZYDXBIXQPLRRIK-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25746;MM25746;C=CC(C)(C)C=C;BHZUNHXTRRNKST-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25747;MM25747;C=CC(C)(C)C=O;MWJDECFURLKSSP-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25748;MM25748;C=CC(C)(C)C#N;AKQLNBCJMUVZDC-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25749;MM25749;CC(C)(C=O)C=O;WNBFTLCNQKKVHC-UHFFFAOYSA-N;100.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25750;MM25750;CC(C)(C#N)C=O;JQKZAENSKMVRLS-UHFFFAOYSA-N;97.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25751;MM25751;CC(C)(C#N)C#N;BCMJJXWXMZYZKN-UHFFFAOYSA-N;94.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25752;MM25752;C#CCON=COC=O;YTSXEZJVHJCQPV-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25753;MM25753;C#CC(N)CC#CC(N)=O;BNYPASPRAYKHIY-UHFFFAOYSA-N;136.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25754;MM25754;C=CC(C)(O)C=O;ZIVBFCKAZCKNIS-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25755;MM25755;C=CC(C)(O)C#N;LSPINEDXJRUDKO-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25756;MM25756;CC(O)(C=O)C=O;SQHUBVCIVAIUAB-UHFFFAOYSA-N;102.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25757;MM25757;CC(O)(C#N)C=O;WIMIVKSOMJNQSC-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25758;MM25758;CC(O)(C#N)C#N;AQJPSBCTMFTPKN-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25759;MM25759;C=CC(C)(F)C=C;OYFFPAMJPRHAJA-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25760;MM25760;C=CC(C)(F)C=O;JQRJGCUGZJBMJD-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25761;MM25761;C=CC(C)(F)C#N;NYQMVPAOODEJRX-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25762;MM25762;CC(F)(C=O)C=O;MMWYQYBAGITUOO-UHFFFAOYSA-N;104.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25763;MM25763;CC(F)(C#N)C=O;XIPLEKLLYQDFOE-UHFFFAOYSA-N;101.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25764;MM25764;CC(F)(C#N)C#N;KUXHUZXKMVHZLJ-UHFFFAOYSA-N;98.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25765;MM25765;C=CC(F)(F)C=C;JUISMVHSVYYKTE-UHFFFAOYSA-N;104.1;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25766;MM25766;O=CC(F)(F)C=O;ZLQCRORFLSOUFF-UHFFFAOYSA-N;108.04;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25767;MM25767;N#CC(F)(F)C=O;RMJYDIHOEXHRLS-UHFFFAOYSA-N;105.04;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25768;MM25768;N#CC(F)(F)C#N;XWRISGYTPCBGDC-UHFFFAOYSA-N;102.04;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25769;MM25769;C#CC(C)(C)C=C;QIVUFCBDRCOFKV-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25770;MM25770;C#CC(C)(C)C=O;OABKIZHURMZHIZ-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25771;MM25771;C#CC(C)(C)C#N;LMTKJEFHIMVMCP-UHFFFAOYSA-N;93.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25772;MM25772;COCC=NOC(=O)C#N;YHGGMBZFXBZAIA-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25773;MM25773;C#CC(C)(O)C=C;VBATUBQIYXCZPA-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25774;MM25774;C#CC(C)(O)C=O;VICRNLNIQVUYDG-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25775;MM25775;C#CC(C)(O)C#N;WVALVVALGJVUES-UHFFFAOYSA-N;95.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25776;MM25776;C#CC(C)(F)C=C;PEYXJPWMWZRSGV-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25777;MM25777;C#CC(C)(F)C=O;ZEVVANQHQKAGRT-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25778;MM25778;C#CC(C)(F)C#N;MQRHYTPNUPCMGA-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25779;MM25779;C#CC(F)(F)C=O;IPLXXYLYAZURPO-UHFFFAOYSA-N;104.06;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25780;MM25780;C#CC(F)(F)C#N;NRVOOJMVEQWTKP-UHFFFAOYSA-N;101.06;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25781;MM25781;C#CC(C)(C)C#C;QKNKHPHVXRVWEW-UHFFFAOYSA-N;92.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25782;MM25782;CC=CN(C=O)N=COC;PMHCDANOSZZTJB-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25783;MM25783;C#CC(C)(O)C#C;WWFDNPCGGZFLER-UHFFFAOYSA-N;94.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25784;MM25784;C#CC(C)(F)C#C;NVGYNLCLJHTWKK-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25785;MM25785;C#CC(F)(F)C#C;YMNBGAIYCCYYNF-UHFFFAOYSA-N;100.07;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25786;MM25786;C=COCON(C=N)C=O;ZDVVEFGKNBZYIM-UHFFFAOYSA-N;144.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25787;MM25787;C=COCOC=NOC=O;CIOKIHXGGBGNKB-UHFFFAOYSA-N;145.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25788;MM25788;CN(C)N=C(NN)N(C)O;IIEZOWZYVFRQDJ-UHFFFAOYSA-N;147.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25789;MM25789;CC(O)CCCO;GLOBUAZSRIOKLN-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25790;MM25790;CC(O)CCCF;RCIXPUGUGPXKBZ-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25791;MM25791;CC(F)CCCF;LRNQQNPVCXCUAX-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25792;MM25792;CCC(N)=C(C#N)C#N;ICGAWAJFQQNULG-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25793;MM25793;OCCCC(F)F;DZVCDDZUOAMMJT-UHFFFAOYSA-N;110.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25794;MM25794;FCCCC(F)F;VTBRJUVIRDBQDD-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25795;MM25795;CC(C#N)=C(N)C(F)C#N;FOLCBCYJFMAJPD-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25796;MM25796;CCNNC(=NN)NO;UUCJTGVYEFCFLA-UHFFFAOYSA-N;133.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25797;MM25797;CCCC(=O)N(C=N)OC;XELATGRSMIDAJX-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25798;MM25798;CNC(N)=C(F)C#N;CZPMKPTUCIFBBI-UHFFFAOYSA-N;115.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25799;MM25799;CC(C=O)=NOCCC#N;GXGUBKLPGLGWBT-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25800;MM25800;CC=CN(C=O)NCC#N;VPXHDXUATOEEHJ-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25801;MM25801;C=CC(=CN)C(=NC)NO;UUCYDWNKVWMZNR-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25802;MM25802;CNC(NC)=C(F)C#N;OHQNUBPEBYRPSA-UHFFFAOYSA-N;129.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25803;MM25803;C=COC=NN(C)C(C)=O;TYLULKCMECDABE-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25804;MM25804;CCOCC(C)O;JOLQKTGDSGKSKJ-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25805;MM25805;COCCN(C)C=CC=O;HQVBYLCZHGAHQG-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25806;MM25806;CCCON(C=N)C(C)=O;DTNBDJXNDCSPFO-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25807;MM25807;CCN=C(C)N(C=O)OC;OYPNJYNWNBGQBH-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25808;MM25808;COCOC(C)C;HUZJBGQIKPVLRU-UHFFFAOYSA-N;104.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25809;MM25809;C=COC=NN(C=O)CC;UXBFRMLPVLZTQE-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25810;MM25810;C=COC(=C)C(CO)NC;OCMGBNITRSUIHG-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25811;MM25811;N#CC=C(N)C(F)C#N;IBDDVIZYAXKFFK-UHFFFAOYSA-N;125.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25812;MM25812;COC(N)=C(C#N)C#N;AFKCHZXZRMHENM-UHFFFAOYSA-N;123.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25813;MM25813;CC(O)CCC=O;HFZMJAMTNAAZQE-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25814;MM25814;CC(F)CCC=O;CMANWRGKPXGRFV-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4,4-difluorobutanal;MM02407;O=CCCC(F)F;UXRVYMVBVIMPNM-UHFFFAOYSA-N;108.09;1.23;84647636;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25815;MM25815;N#CCCC(F)F;QIOOJGNMMJIJJJ-UHFFFAOYSA-N;105.09;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25816;MM25816;CCOCC(C=O)=NOC;GOBGXISBWPJLAH-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25817;MM25817;N#CC(F)=C(N)N;SKRAUHQQXKMCHT-UHFFFAOYSA-N;101.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25818;MM25818;C#CC=NN(C=N)C=O;YAAUVYBLABZLOR-UHFFFAOYSA-N;123.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25819;MM25819;CC=NN(C=N)C(=O)C#N;LMUKEGYKZLRKDI-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25820;MM25820;CC(=N)N(C=O)C(=N)C#N;AESYMLYBGPVKNG-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25821;MM25821;CC(=NCC#N)N(C)O;CZRQDVYQYMVIQZ-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25822;MM25822;CN=C(C)N(OC)C(C)=O;YMDTUIZOGKDWMF-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25823;MM25823;C=COCC(C)O;HAVHPQLVZUALTL-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25824;MM25824;CC(O)COC=O;CRMUFGZQBODVGS-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25825;MM25825;CC(F)COC=O;WFHXJUWCTOCHOA-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25826;MM25826;O=COCC(F)F;VAXZXQURAFVHFF-UHFFFAOYSA-N;110.06;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25827;MM25827;CN(C)C(=O)C(N)=CC#N;NROQECLVQBTLPZ-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25828;MM25828;CCNCC(=CC#N)CO;HHGVUJNKOADKGI-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25829;MM25829;CN(C=CC#N)N=CC=O;QSTVWGKZBTYEJF-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25830;MM25830;C#CC(N)=C(F)C#N;AWDWLJYNMVLQTP-UHFFFAOYSA-N;110.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25831;MM25831;CC(C)ONC=O;XPUPJDXYDYYSES-UHFFFAOYSA-N;103.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25832;MM25832;CCOC(=N)NC(C)CO;ZNRSTWNINBAORV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25833;MM25833;CON=CC(C#N)=NOC;KQMOBGXUJCIDIV-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25834;MM25834;CC(=O)CCCO;JSHPTIGHEWEXRW-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25835;MM25835;CC(=O)CCCF;NVLPUNYDSOXZES-UHFFFAOYSA-N;104.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25836;MM25836;C=CN(C=O)N=C(C)CF;XOAOESPTJXQIFE-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25837;MM25837;C#CCOC=NN(C)C=O;YXTDFGHDWPIAHK-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25838;MM25838;CC(N)CN=CN(C)O;PAPQOJYZWGNOQA-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25839;MM25839;C=CN(N=CCN)C(N)=O;UVDBRDDIAKGFRG-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25840;MM25840;NC(=O)CCCF;FLPMKSDPUSXFRL-UHFFFAOYSA-N;105.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25841;MM25841;O=C(O)CCCF;BDXSWIQVLYXSSU-UHFFFAOYSA-N;106.1;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25842;MM25842;O=CN(C=O)N=CCCF;ANYSBFCZUNBNPK-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25843;MM25843;CN(N)C(=N)CN=CNO;NORKDEACOOVOCP-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25844;MM25844;C=CC(C#N)=NOCC#N;ZSLXTJKUHWWYSM-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25845;MM25845;COCCC(C)=O;DRWOJIIXBYNGGW-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25846;MM25846;COCCC(=O)O;YSIKHBWUBSFBRZ-UHFFFAOYSA-N;104.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25847;MM25847;N#CC(F)=CN;UPFFMBNJFXPHIW-UHFFFAOYSA-N;86.07;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25848;MM25848;CCOCC(C)=O;CXKAZTSHVRMSRT-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25849;MM25849;CN(N=CC=O)C(=N)C#N;RBVYWVWUCFJTRP-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethoxyacetic Acid";MM03625;CCOCC(=O)O;YZGQDNOIGFBYKF-UHFFFAOYSA-N;104.11;0.11;12301;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25850;MM25850;C=NN=C(C#N)C=NOC;DVMOFKQPMSKXEH-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25851;MM25851;N#CC=CNC(C=O)=CN;PFNKSQKDMJPWTM-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25852;MM25852;N#CC(CC=O)=NNC=N;NEUWGQMVUGFTEF-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25853;MM25853;CC(=O)NCCF;OLFIIIPAJFAGNW-UHFFFAOYSA-N;105.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25854;MM25854;CC=NN=CN(C=N)C=O;KGRIFSBAVIBNJQ-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25855;MM25855;CCONC(C)=O;MFSUKOCGNJOMDD-UHFFFAOYSA-N;103.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25856;MM25856;CNC(=N)C(F)=CCO;NNLCCDNFOWRDKR-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25857;MM25857;CCONC(N)=O;DTTVNCZEOYSFFF-UHFFFAOYSA-N;104.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25858;MM25858;C#CC(C=O)=NOC;SFBBBVPVKAOFSR-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25859;MM25859;C=C(C)OCCO;NTKNNDSRWGAYDD-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25860;MM25860;CC(=O)OCCO;HXDLWJWIAHWIKI-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25861;MM25861;CC(=O)OCCF;PVDYNYCZGYOXAF-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25862;MM25862;C=NN=CN(C=N)C=O;DAHGPMVPGLVXQY-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25863;MM25863;N#CCCON=CC=O;JYENHFROXJTXQP-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25864;MM25864;CCCOC(N)=O;YNTOKMNHRPSGFU-UHFFFAOYSA-N;103.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25865;MM25865;NC(=O)OCCF;QJXFPEZRXKBKJB-UHFFFAOYSA-N;107.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25866;MM25866;C=C(C)OCOC;NFYUUGDHOIWIQN-UHFFFAOYSA-N;102.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25867;MM25867;COCOC(C)=O;MDEDOIDXVJXDBW-UHFFFAOYSA-N;104.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25868;MM25868;CC(F)(C#N)C(N)=CC#N;MJMLQQIRVMXVFJ-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25869;MM25869;C=C(C)CCC=O;XVMMYODWMBGAIC-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25870;MM25870;CC(=O)CCC=O;KEHNRUNQZGRQHU-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25871;MM25871;CC(=O)CCC#N;JFVBCXHSPKJLRP-UHFFFAOYSA-N;97.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25872;MM25872;COCC(=CC=O)N(C)C;XZDTXPMSBJUWRY-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25873;MM25873;C=CC(N)C#CC=CCO;VRNOBJPBIJTOKL-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25874;MM25874;NC(=O)CCC=O;WUOVJZPIPLAQBE-UHFFFAOYSA-N;101.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25875;MM25875;C=CCCC(=O)O;HVAMZGADVCBITI-UHFFFAOYSA-N;100.12;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25876;MM25876;O=CCCC(=O)O;UIUJIQZEACWQSV-UHFFFAOYSA-N;102.09;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25877;MM25877;N#CCCC(=O)O;BXYQHDXDCJQOFD-UHFFFAOYSA-N;99.09;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25878;MM25878;C=C(F)CCC=O;BGVPIYYWGCZZTD-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25879;MM25879;C#CC(C#C)=NN(C)C=O;HFMIKGZCAFVOMG-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25880;MM25880;CCCC(N)C(=O)NC;NCPLOFZQPMSMOH-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25881;MM25881;CC=NN(C=O)C(=N)C#N;ULNNRIYMXCAFCK-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25882;MM25882;C=C(F)CNC=O;LSQZSFZDDOAFLO-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25883;MM25883;C#CCN(C=O)N=COC;GJDZXDSXMCKNKT-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25884;MM25884;C=NN=CC(OC)=C(N)N;XUKVZLVEHNMIEU-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25885;MM25885;C=COCC(C)=O;GUUVUHYVURWKSZ-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25886;MM25886;CC(=O)COC=O;WNVAJGCMEDTLIE-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25887;MM25887;CC#CC=NN(C=N)C=O;ZFRGLUBBGXBXRK-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25888;MM25888;C=COCC(N)=O;JLTJSCXLKTVHIT-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethenoxyacetic Acid";MM03579;C=COCC(=O)O;RPYQPOCMVAEGHP-UHFFFAOYSA-N;102.09;0.23;19775923;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25889;MM25889;O=COCC(=O)O;QPSGXYRAHOXLLI-UHFFFAOYSA-N;104.06;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(methylideneamino)oxyacetic Acid";MM03504;C=NOCC(=O)O;TZSGOLHKVZPONM-UHFFFAOYSA-N;103.08;-0.3;21642858;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25890;MM25890;COC(C)=NOC=O;MCICBXNGDKDSCD-UHFFFAOYSA-N;117.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25891;MM25891;N#CCN(C=N)C(=O)C=O;AFNDBIZMSBDARA-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25892;MM25892;C=CCNC(C)=O;DVQCXAUFUOFSDW-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25893;MM25893;CC(=O)NCC=O;KCRRYOSHXIMXSZ-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25894;MM25894;C#CC(=CF)OC=NOC;VIVHUJRLLQMLNS-UHFFFAOYSA-N;143.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25895;MM25895;C#CC=NOC(=O)C#C;CUPJLGKNFPJWIS-UHFFFAOYSA-N;121.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25896;MM25896;N#CCNC(N)=O;OYJHKYGWYYYRBV-UHFFFAOYSA-N;99.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25897;MM25897;CC(=O)NN=CN;HFMMGOIOTCFRON-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25898;MM25898;NC(=O)NOC=O;HTJHQIIGCAGNNI-UHFFFAOYSA-N;104.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25899;MM25899;C=C(C)OCC=O;DDQMYXJAXWLJLT-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25900;MM25900;C=C(C)OCC#N;IDZUJFPUAUMQAH-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25901;MM25901;C#CCON=COC(C)=O;GYVMSFPZHYLSCU-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25902;MM25902;C#CC=NN(C=O)C=NC;UVSSAMRJGCOPCM-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25903;MM25903;C=C(C)C(NCC)C(N)=O;LXGBLQONUDNHOX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25904;MM25904;CC(=O)ONC=O;XSJZSGSYJGILCV-UHFFFAOYSA-N;103.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25905;MM25905;NC(=O)ONC=O;BONWPDSWFOADBM-UHFFFAOYSA-N;104.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25906;MM25906;C#CCCC(C)=O;MQVQPQJPNZJTAY-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25907;MM25907;CN(C)C=C(C=O)C=CF;FBZWWOTYORVOIJ-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25908;MM25908;C#CCCC(N)=O;KNEPBZMJMJUNQX-UHFFFAOYSA-N;97.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25909;MM25909;C#CCNC(C)=O;GGOQYHOZFCWTNM-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25910;MM25910;N#CC(=O)N(C=N)C=CF;PJHNXDNJGHNICC-UHFFFAOYSA-N;141.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25911;MM25911;C#CCOC(N)=O;QVCOXWYMPCBIMH-UHFFFAOYSA-N;99.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25912;MM25912;CC=NN(C=O)C(=O)C=O;WKEKLBROWLOZFC-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25913;MM25913;C=CC(NCCC)C(N)=O;WCNZMRZTVSAWPB-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25914;MM25914;CC(O)CC=NO;HFPWPFKPPIQWFQ-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25915;MM25915;C=CNC(C#N)=NOCC;WTWUHOZYZAQCKC-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25916;MM25916;C#CC(C#C)=NOC=O;BMZLWEPCNJQKEE-UHFFFAOYSA-N;121.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25917;MM25917;N#CCC=NN(C=N)C=O;ONZIAGXCLCUUCY-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25918;MM25918;CN(C=O)NCC#N;RTFIVQVKSCALIO-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25919;MM25919;C=CC(CC)NCC(N)=O;HAIFHTHJLJQRQX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25920;MM25920;CN(C)N(C)C(=O)C#N;GLKRDHYHJNTHER-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25921;MM25921;C=CNC(C#N)=NOC;COMNMOYMWWDPGB-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25922;MM25922;CC=CCC(N)=O;LARRNBYMHFLZKK-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25923;MM25923;NC(=O)CC=CF;AVPBMGLOFURMGA-UHFFFAOYSA-N;103.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25924;MM25924;C=CC(C)ON(C=N)C=O;IANGVHMIXBZPOG-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25925;MM25925;CC(C)(C)ON(C=N)C=O;TVWWRPRAYRTMEB-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25926;MM25926;CC=CNC(C)=O;MUCPRRDAVFMYOG-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25927;MM25927;CC(=O)NC=CF;RQWWRINMMAWKEW-UHFFFAOYSA-N;103.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25928;MM25928;C=C(C#N)CON=CC=O;OHHLKTIYHVMMAG-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25929;MM25929;CC=CNC(N)=O;SKXUZVAWHSXDRT-UHFFFAOYSA-N;100.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25930;MM25930;CON(CC#N)C(=N)C#N;BZEFGCFRLBPYFC-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25931;MM25931;C=C(C)CN(C)CCC=O;CQNBVPCSDFNSPB-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25932;MM25932;C=CN(C=N)C(=N)CC#N;ONASIQQPIXLGSJ-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25933;MM25933;CC=NNC(C)=O;SZVNORTXUATKNF-UHFFFAOYSA-N;100.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25934;MM25934;C#CCN(C=N)C(C)C=O;DPJYSGRJOHTZTQ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25935;MM25935;CC=NNC(N)=O;IUNNCDSJWDQYPW-UHFFFAOYSA-N;101.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25936;MM25936;C=C(C)OC=NO;GSIYDQOFFKRTLJ-UHFFFAOYSA-N;101.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25937;MM25937;C=C(CCC=O)CN(C)C;NDFRIXWGDRNDML-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25938;MM25938;CC(=O)OC=NO;QJMZFTONMGTLMN-UHFFFAOYSA-N;103.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25939;MM25939;C#CC(=O)C#CCNC;IEOZOVZDRJWSRR-UHFFFAOYSA-N;121.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25940;MM25940;CC(C)C(=N)N(N)C=NN;IRSZZZVREKKHSG-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25941;MM25941;C#CC(C#N)=C(N)CC#N;GKTIQVCADWDEBP-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25942;MM25942;COC(C=O)=NN(C)C;GWUXGICJTKAFAG-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25943;MM25943;CCOCCN(C)C=NN;HOBACFNWHPMAIE-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25944;MM25944;CC#CCC(C)=O;JASFMDHQLIHRFL-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Pent-3-ynoic Acid";MM03652;CC#CCC(=O)O;NIZKVZYBUGUDTI-UHFFFAOYSA-N;98.1;0.48;142106;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25945;MM25945;COCON=C(C)C=O;LIBOQIACGCZPTK-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25946;MM25946;C#CC(=NNC)C(=N)N;BIIQUACEQBZPQO-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25947;MM25947;C=NN(C=N)C(=O)C#N;LLBITWNVXPPWKP-UHFFFAOYSA-N;124.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25948;MM25948;CC(O)C=CCO;OOYLEFZKWGZRRS-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25949;MM25949;CC(O)C=CCF;KUMZJUIUYLNNME-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25950;MM25950;CCC(C)ON(C=N)C=O;AJGTVSCRUURUFQ-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25951;MM25951;N#CCOC=NOCC#N;OAHNBOOBNWYORG-UHFFFAOYSA-N;139.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25952;MM25952;COC=CC(C)O;AROJMVOZBJUYDH-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25953;MM25953;CC(C)ON(C=N)C=O;YTAKOYVYINREGW-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25954;MM25954;C=CN(C=O)C(=N)C(C)F;WDURMXRPKQSASE-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25955;MM25955;N#CC(=O)N(C=N)C=N;RYQSIVZCENBBJQ-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25956;MM25956;C#CC(=NNCC)C(=N)N;QJBCKBQYHJOIAU-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25957;MM25957;C#CC#CC=NN(C)C=O;JHSSVXSGNOQRBL-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25958;MM25958;NN=C(NN)C(O)CO;DUZUHHOHTLOKBU-UHFFFAOYSA-N;134.14;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25959;MM25959;CN(C)C=NC=NC=NN;KAGYYAWLLDGYSA-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25960;MM25960;CN=C(C#N)N(C)OC=O;MUKPDOBVSJXSTP-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25961;MM25961;CC(C)C=CC=O;RIWPMNBTULNXOH-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25962;MM25962;CC(O)C=CC=O;OFWXLYPSGLVHNC-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25963;MM25963;CC(O)C=CC#N;JTEKMNSVRQRNHH-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25964;MM25964;CC(F)C=CC=O;WZJUAUDDCKNDCS-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25965;MM25965;O=CC=CC(F)F;ZKQLGRZATMHQAB-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25966;MM25966;CCON(C=N)C=O;KLJXXLIIMTUAJP-UHFFFAOYSA-N;116.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25967;MM25967;C=C(C)C(=O)C=CN(C)C;NPLKTXWHYPSUKJ-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25968;MM25968;C#CC(F)C=NN(C)C=O;ANLMUMWKAZQCBP-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25969;MM25969;COCOC(N)=C(F)C#N;LDPBZHGTXRMGKL-UHFFFAOYSA-N;146.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25970;MM25970;C=CCC(C=NO)NC;LJIHGUMUJBLZPE-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25971;MM25971;CON=C(CF)N(C)OC;FCPYSAJLGBYXAC-UHFFFAOYSA-N;150.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25972;MM25972;NCC#CC=NO;OBYKLOZHRCTZQL-UHFFFAOYSA-N;98.11;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25973;MM25973;CCCCON(C=N)C=O;GNHAUOSJWJFYGY-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25974;MM25974;CN(C)N=CC#N;NOYIYAXAJPAOEF-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25975;MM25975;C#CC=CC(C)C;YPAAIRQADKROCE-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25976;MM25976;C=CCCON(C=N)C=O;YLXUOBDIBCQIKD-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25977;MM25977;COC=NOC=O;JGDHGQLQMLFWHS-UHFFFAOYSA-N;103.08;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25978;MM25978;CC(=O)C=CCO;XPFOROLZROZXCS-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25979;MM25979;CC(=O)C=CCF;ZUJJVDMIIWHALR-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25980;MM25980;C#CC(O)(C#CCN)CF;BPXSHEMDBURBOD-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25981;MM25981;O=C(O)C=CCO;RMQJECWPWQIIPW-UHFFFAOYSA-N;102.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25982;MM25982;CNC=CC(=O)O;BSIFHEUIVGOUJY-UHFFFAOYSA-N;101.11;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25983;MM25983;COC=CC(C)=O;VLLHEPHWWIDUSS-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25984;MM25984;C=CC(=O)C=CN(C)C;JAPREJVTTCXZBR-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25985;MM25985;CCNC(=N)C(C)=NO;IONKZQYMLPRBKO-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methoxyprop-2-enoic Acid";MM03672;COC=CC(=O)O;VFUQDUGKYYDRMT-UHFFFAOYSA-N;102.09;0.23;53414726;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25986;MM25986;C#CC(C)(O)C(F)CNC;OBZGPGXSJOHBPX-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25987;MM25987;COC(CN)=C(F)CO;WDCLTTKHXGWWKU-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25988;MM25988;COC(C)=NOC(C)=O;GOGCDMVXDVXXMM-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25989;MM25989;CC(=N)N(O)C(C)=CC=O;URQPYDXRHNLSBS-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25990;MM25990;N#CC(=O)ON=CC=CF;VMFYLHHLKNNPEH-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methoxyiminoacetic Acid";MM03466;CON=CC(=O)O;MIHIJWOEDDPOLG-UHFFFAOYSA-N;103.08;-0.3;54073784;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25991;MM25991;C=C(C)C=CC=O;CPHXZIBGZOPWBM-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25992;MM25992;C=C(C)C=CC#N;OUWUBOQHBABHDU-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25993;MM25993;CC(=O)C=CC=O;GBLMMVFQENXAFZ-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25994;MM25994;CC(=O)C=CC#N;NNKSQQOADOOAKK-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25995;MM25995;CN(C=O)N=CC#CC=O;NJCHKYCCYQWZEQ-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25996;MM25996;C=COCON=C(C)C=O;KIXMTIFPVQGPOS-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25997;MM25997;CCON(C=O)C(C)=NC;YUTRCLUEKOJYNQ-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25998;MM25998;N#CC=CC(N)=O;PKZVBYCWPSVUMT-UHFFFAOYSA-N;96.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-oxobut-2-enoic Acid";MM03340;O=CC=CC(=O)O;ZOIRMVZWDRLJPI-UHFFFAOYSA-N;100.07;-0.17;74088;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyanoprop-2-enoic Acid";MM03124;N#CC=CC(=O)O;KAIHOCOWYAMXQY-UHFFFAOYSA-N;97.07;0.15;53436351;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM25999;MM25999;C=C(F)C=CC=O;MTKMWQAVDXCUJP-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26000;MM26000;CC(=N)N(C=O)C(=N)C=O;CKOBBBHKUQKLKB-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26001;MM26001;NCC(F)C#CCO;OXBJAQMBDACVJS-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26002;MM26002;CCC(=O)C=CN(C)C;HPBKASIYSDDWNK-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26003;MM26003;C=NN=CC(N)=O;ZTJSKUKITWLOCC-UHFFFAOYSA-N;99.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26004;MM26004;C#CC=CC(C)=O;AAEINQISZRWXPZ-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26005;MM26005;C#CC(=CC=O)N(C)C;DJYJJPGMMZBWRH-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26006;MM26006;C#CCC(N)C#CCO;PGJIZZMIQWRSJY-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26007;MM26007;CON(C=N)C=O;DVPZNIGXQCHNNI-UHFFFAOYSA-N;102.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26008;MM26008;CC(C)C#CCO;GSSDYZXTFBSJBT-UHFFFAOYSA-N;98.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26009;MM26009;CCOC(C=O)=NN(C)C;RYZZYIDAJYARFQ-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-3-yn-2-ol;MM01955;CCC#CC(C)O;IFCAMPHNVKBSTF-UHFFFAOYSA-N;98.15;0.78;7990;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26010;MM26010;CC(O)C#CCF;IWLYRIJYHIPMQD-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26011;MM26011;CCN(C)N=C(C=O)OC;UUYMZYAQCLTFGX-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26012;MM26012;CC(F)C#CCO;OJYJWFBBPPKHGL-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26013;MM26013;CCC#CC(F)F;GNMQVRDDWXWDMS-UHFFFAOYSA-N;104.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26014;MM26014;C=CN(CC#N)C(=N)CO;BYXHCJWZZKUHNU-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26015;MM26015;OCC#CC(F)F;IJTYIZOFEDKWFX-UHFFFAOYSA-N;106.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26016;MM26016;C=CC#CC(C)C;FHRCPEYMPGWZBN-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26017;MM26017;CC(C)C#CC#N;IWACHKDXEDYAFF-UHFFFAOYSA-N;93.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26018;MM26018;C=CC#CC(C)O;XKOCRDLVZPKQID-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26019;MM26019;CC(O)C#CC=O;LARBWZHBLUMKCK-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26020;MM26020;CC(O)C#CC#N;AUYWDKZKWBELCA-UHFFFAOYSA-N;95.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26021;MM26021;C=CC#CC(C)F;QLBNBLHAQJBEHB-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26022;MM26022;CC(F)C#CC#N;VJPIDBKBMLQXTQ-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26023;MM26023;C=CC#CC(F)F;BBRNYXXWLDZUNJ-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15291;MM15291;O=CC#CC(F)F;ZYSRZSDWRZGTJY-UHFFFAOYSA-N;104.06;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15424;MM15424;N#CC#CC(F)F;XEOPUDVDMNHVDI-UHFFFAOYSA-N;101.06;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26024;MM26024;C#CC#CC(C)C;PWSFCHWGQHSYRH-UHFFFAOYSA-N;92.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26025;MM26025;C=CN(C)C(=NC=O)OC;KTHGLJDSMPHCMN-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26026;MM26026;C#CC#CC(C)O;XETHXRSXCFDQFV-UHFFFAOYSA-N;94.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26027;MM26027;C#CC#CC(C)F;ZNQTZUMPGRTPNB-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15281;MM15281;C#CC#CC(F)F;ZGSSKEDZIUPPSB-UHFFFAOYSA-N;100.07;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26028;MM26028;C=C(C)C#CCC;IXPWKHNDQICVPZ-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26029;MM26029;C#CC(COC)=NOC=O;VSZJKHYOOVRVMH-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26030;MM26030;C=C(C)C#CCO;JEHOGLRXCCPCJQ-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26031;MM26031;CCC#CC(C)=O;LTAPKZGQTMVYMX-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26032;MM26032;CC(=O)C#CCF;DTPVEFYJJURTLS-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26033;MM26033;C#CC(=O)N(C=O)N(C)C;JBZQUQZZEAOVJJ-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26034;MM26034;CN(C)C(C#N)=CC#N;LFDDDMGBJBLSMD-UHFFFAOYSA-N;121.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26035;MM26035;C=NN(C=O)C(C#N)=CF;XWNBPBOVNIMZHD-UHFFFAOYSA-N;141.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26036;MM26036;CCC#CC(N)=O;UEEILBFKFVAUEC-UHFFFAOYSA-N;97.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26037;MM26037;NC(=O)C#CCO;CGVNXVBMYCDFRI-UHFFFAOYSA-N;99.09;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26038;MM26038;NC(=O)C#CCF;MTRKZOKVMIRUAI-UHFFFAOYSA-N;101.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26039;MM26039;O=C(O)C#CCO;QVYMWMSAXULCMW-UHFFFAOYSA-N;100.07;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26040;MM26040;O=C(O)C#CCF;ZIMQXFHNHDJWSP-UHFFFAOYSA-N;102.06;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26041;MM26041;C#CC(=NOCC#N)OC;JHTGFNYTIHFYOZ-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26042;MM26042;C=C(F)C#CCO;ZPVKWNOAIKBJAE-UHFFFAOYSA-N;100.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26043;MM26043;C=CC#CC(=C)C;JDIZEHGMNIBSPL-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26044;MM26044;C=C(C)C#CC=O;HQHXRHIFWOAQRT-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26045;MM26045;C=C(C)C#CC#N;WAFLJINBSWFJIA-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26046;MM26046;C=CC#CC(C)=O;MRYSEKMLLZUXGC-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26047;MM26047;CC(=O)C#CC=O;JLWGEZNPWUHKPD-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26048;MM26048;CC(=O)C#CC#N;JDBQTYHZTKWMKD-UHFFFAOYSA-N;93.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26049;MM26049;CC#CC(=O)N(C=N)OC;GBYPUSXWAGEBBL-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26050;MM26050;CC(N)=C(F)C#N;KNUITIGGGOYPFU-UHFFFAOYSA-N;100.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26051;MM26051;C=NN=CN(C)OC=O;FNNWSUFVYFGPBB-UHFFFAOYSA-N;129.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26052;MM26052;C=CC#CC(N)=O;OSQKSMKIJWMVFK-UHFFFAOYSA-N;95.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26053;MM26053;NC(=O)C#CC=O;YWEFJJXHKOOKRJ-UHFFFAOYSA-N;97.07;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26054;MM26054;N#CC#CC(N)=O;FGMBODGOLFNMRW-UHFFFAOYSA-N;94.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Pent-4-en-2-ynoic Acid";MM01935;C=CC#CC(=O)O;QGAHRQZEEJOQCN-UHFFFAOYSA-N;96.09;0.26;12805738;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyanoprop-2-ynoic Acid";MM03071;N#CC#CC(=O)O;ZVVXXGSRDOMYII-UHFFFAOYSA-N;95.06;-0.4;72506562;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26055;MM26055;C=C(F)C#CC#N;ARSXFAHIHOUMGF-UHFFFAOYSA-N;95.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26056;MM26056;C#CC#CC(=C)C;KYSGHKSINFRLHN-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26057;MM26057;C#CC#CC(C)=O;GCZFLFFXKMSZRU-UHFFFAOYSA-N;92.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26058;MM26058;C=NN(C=O)C(=N)C#N;BIIWCZFWMNHWCC-UHFFFAOYSA-N;124.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26059;MM26059;C#CC#CC(N)=O;ZTAMWTQIZSDDNF-UHFFFAOYSA-N;93.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Penta-2,4-diynoic Acid";MM03152;C#CC#CC(=O)O;DKFFITSUIIXFPL-UHFFFAOYSA-N;94.07;-0.29;17965077;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26060;MM26060;C#CC#CC(=C)F;BXNFSKJDQZMCEO-UHFFFAOYSA-N;94.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26061;MM26061;C#CC(=O)N(C=N)OCC;BDQZPDYQJASHAO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26062;MM26062;C#CC=NN(C=O)CC#N;XTVGJKDKYGHCJS-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26063;MM26063;OCCC=C(F)F;ZCSILCHJOKWNLB-UHFFFAOYSA-N;108.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26064;MM26064;CON=C(OC)OC;YVMGKDXWYBQAAG-UHFFFAOYSA-N;119.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26065;MM26065;C=CC(C=O)=CN(C)C;ICCOEPUGNRAFNP-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26066;MM26066;COCCC(N)=C(F)C#N;DDOFMYKVZPEAJF-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26067;MM26067;CC(C#N)NN(C)C=O;JRWYODFSPMQPQN-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26068;MM26068;CC(C)=CCC=O;PQTHXJVFTDWEEE-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26069;MM26069;CC(F)=CCC=O;IQXQLSCFZBWAHP-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26070;MM26070;O=CCC=C(F)F;NBLFNLPHOGHIHU-UHFFFAOYSA-N;106.07;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26071;MM26071;COC(C)=NN(C)C=O;KSLVMACAALTXPM-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26072;MM26072;CC(C)=CNC=O;OSPYPFWZWXGYCU-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26073;MM26073;C#CC(C=O)=NOCC;DEVWEMRXJSQQJG-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26074;MM26074;CC(F)=CNC=O;HIBJENCIAVHAPZ-UHFFFAOYSA-N;103.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26075;MM26075;O=CNC=C(F)F;BDHCAHNQKWELTN-UHFFFAOYSA-N;107.06;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26076;MM26076;C#CCCNCC#CCO;PBBHKYSNEYNECE-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26077;MM26077;C#CC(=O)N(C=N)OC;DRHLIOZPAUJJSN-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26078;MM26078;CN(O)C(=NC=N)NN;AITUUMKBCCFYLV-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26079;MM26079;ON=CC=C(F)F;VXNOIZKBQGHCLJ-UHFFFAOYSA-N;107.06;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26080;MM26080;CON=COC=O;COLWUKJIDHSFMW-UHFFFAOYSA-N;103.08;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26081;MM26081;CC1(F)CCC1=O;QVZYMBXHRPORRD-UHFFFAOYSA-N;102.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26082;MM26082;CC1C(C)C1(C)C;ZASOSNWAQIGWQT-UHFFFAOYSA-N;98.19;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26083;MM26083;C#CC(=NOC)OCC#N;ZECYDLITKFZJIM-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26084;MM26084;CCOCON=C(C)C=O;QJBMQJYOACRLKP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26085;MM26085;C=C(CO)CN=C(C)NO;ZNRJJUGOOWSTPJ-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26086;MM26086;CC1(C)C(O)C1O;SHWJCIYMUHZYLS-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26087;MM26087;C=NN(C=O)C(=O)C=CF;KJTQIZFVYCXJQI-UHFFFAOYSA-N;144.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26088;MM26088;CCON(C)C=NC=O;ABIQBWLOXJWULO-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26089;MM26089;C=CC(=O)C(C)=CN(C)C;GVINGKRYAYVUGN-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26090;MM26090;CNN=C(NNC)N(C)O;VGEUYAAPIBVQFA-UHFFFAOYSA-N;147.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26091;MM26091;C#CC(=CCN(C)C)CO;KWFOLUZDPBBYIH-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26092;MM26092;C=CCNC(=O)C(N)CC;UYILMQNLVJQLNY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26093;MM26093;CC1C(C)C1(C)F;DUPKLXQEDCFDNC-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26094;MM26094;CNC(C#N)(C#N)C(C)F;XCUGORIAQJZXSD-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26095;MM26095;C#CC(C)ON=C(C)C=O;IYPYWIZJSAOGTK-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26096;MM26096;CC1C(C)C1(F)F;QACKABMXGDZLJE-UHFFFAOYSA-N;106.12;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26097;MM26097;C#CCC=NOC(=O)C#N;XAPQZCMJLQUVMA-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26098;MM26098;C=C(C#N)N(C=O)C=NC;BCCOFBTUTSQCFK-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26099;MM26099;CCNC(C=O)CCCO;YIUYQLVBLVXCEW-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26100;MM26100;C=COC=NOC=NOC;PJIGOYGOGPVQKG-UHFFFAOYSA-N;144.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26101;MM26101;CN(N)C=NC=NC(N)=O;IBLPRWLYJIJRQA-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26102;MM26102;CC(CO)CCO;MWCBGWLCXSUTHK-UHFFFAOYSA-N;104.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26103;MM26103;CC(CO)CCF;CXUBTIBGBUKJLD-UHFFFAOYSA-N;106.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26104;MM26104;CCC(N)=C(F)C#N;QYRGUMBXRUBXLV-UHFFFAOYSA-N;114.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26105;MM26105;CC(CF)CCO;QCLXLDNWWLHSGT-UHFFFAOYSA-N;106.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26106;MM26106;CC(CF)CCF;FEUYEVYSEKIMSW-UHFFFAOYSA-N;108.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26107;MM26107;CC(CF)=NOC=O;VZRSHZABTKQNIT-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26108;MM26108;C=C(C#N)N(O)C=N;FLVSTUCWAOIADL-UHFFFAOYSA-N;111.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26109;MM26109;C#CCON=CC=O;KMJRBWZURCBQHT-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26110;MM26110;CON=CC(F)=CC#N;CZTQPWYZMGSASI-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26111;MM26111;CN(C)C=CC=O;RRLMPLDPCKRASL-UHFFFAOYSA-N;99.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26112;MM26112;CC=CC(N=CN)C(N)=O;QWZHXSPDIHHDGD-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26113;MM26113;CCC(N)C(=O)NC(C)C;NBUVGYHBTQAFMN-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26114;MM26114;C=C(C#N)OC=NOC;QLOKTPNZSQGGEX-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26115;MM26115;COC(=CC=O)N(C)C;ZKEGQWPMLCUQEL-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26116;MM26116;CNCC#CC(=O)CF;MPOGOCBPDLHWKO-UHFFFAOYSA-N;129.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26117;MM26117;CCC(O)CCO;RUOPINZRYMFPBF-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26118;MM26118;CCC(O)CCF;JUXYSVUBIQJRGS-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26119;MM26119;N#CCC(=N)N(O)C=N;LXLIJQRIORHTHU-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26120;MM26120;CCCC(O)CO;WCVRQHFDJLLWFE-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-fluoropentan-2-ol;MM01954;CCCC(O)CF;WQHGMWCFPFCCQN-UHFFFAOYSA-N;106.14;1.12;54132284;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26121;MM26121;C#CC(C#N)(C#N)NC;IODOFTSKZMJBOQ-UHFFFAOYSA-N;119.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26122;MM26122;CCC(F)CCF;HFGQZHAANLWPSK-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26123;MM26123;CN(CC#N)N=COC=O;HTZTVEVQWGYWPD-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26124;MM26124;CC#CC(C#N)(C#N)NC;QOCNRJASVDFYEG-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26125;MM26125;CCCC(F)CO;OMAFODCGMXDASL-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26126;MM26126;CON=CC(=O)C=NOC;FCXQBMAKELVMKI-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26127;MM26127;OCCC(F)CF;MKPLEYDGHWZKOS-UHFFFAOYSA-N;110.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26128;MM26128;C#CCOC(N)=C(F)C#N;KBFNVBRXQABVFV-UHFFFAOYSA-N;140.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26129;MM26129;CNC(C)(CF)CC=O;TYUDTMJLEIMTDQ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26130;MM26130;CON=C(CF)OC;JCCAPPZDEVOFOB-UHFFFAOYSA-N;121.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26131;MM26131;C=NN(C(C)=N)C(=O)C#N;GDSHVVRGWGFZPJ-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26132;MM26132;CON(C=N)C(=N)CO;SQYRAMSUJHJJPG-UHFFFAOYSA-N;131.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26133;MM26133;COC=NOC(C)=O;PFJJQLVQVMTDMW-UHFFFAOYSA-N;117.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26134;MM26134;CC(=O)N(C)NCC#N;PDOYRZYGIIVNML-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26135;MM26135;COCC(C)CO;VBZDXGATDYLXEZ-UHFFFAOYSA-N;104.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26136;MM26136;CCC(O)COC;CSZZMFWKAQEMPB-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26137;MM26137;COCC(O)CF;NTOZUEOZUOBUTO-UHFFFAOYSA-N;108.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26138;MM26138;COCC(F)CO;SEYXOLSCJAGKIV-UHFFFAOYSA-N;108.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26139;MM26139;COCC(F)CF;CVLLXOVXJAKSHZ-UHFFFAOYSA-N;110.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26140;MM26140;CCN(C=O)NCC#N;RUYNEAWTZZQKCM-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26141;MM26141;CC(C)=NN(C=O)C=O;DSHSXQAMRKWZMO-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26142;MM26142;CNCC(=O)C=CF;CWKURIFWBBBORO-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26143;MM26143;CCOC=NOC=O;RWMXWRJNHGVYPU-UHFFFAOYSA-N;117.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26144;MM26144;C=CC(=O)ON=COC;KRSIDHONHUQBHI-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26145;MM26145;N=CN(C=N)C(=O)C=O;HGBJYTVGNMYGIC-UHFFFAOYSA-N;127.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26146;MM26146;CCCC(C)OC;XSAJCGUYMQTAHL-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26147;MM26147;CNC(=CC#N)OC(C)=O;NZLDMJPLXOOSIJ-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26148;MM26148;C#CC(C#N)(C#N)NCC;ZKZHBMASCMHWCQ-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26149;MM26149;COCC(C)OC;LEEANUDEDHYDTG-UHFFFAOYSA-N;104.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26150;MM26150;CCC(=O)N(C)NCC#N;WEFFIBUXJATWEJ-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26151;MM26151;C=CCNC(CC)C(N)=O;FUBTWASVCKXDPK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26152;MM26152;CNN=CC(F)=C(F)C=O;NXIZMRZPAKAYFN-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26153;MM26153;CCOC(C)CO;DEDUBNVYPMOFDR-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26154;MM26154;CCOC(C)OC;MYCXIDKAJBXPCZ-UHFFFAOYSA-N;104.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26155;MM26155;CCCCC(N)C(N)=O;YTIHIRCOUAPRCS-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26156;MM26156;C=CCC(C)CC;SUWJESCICIOQHO-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26157;MM26157;CCC(C)CC#N;MMRQLDRBAXLMRH-UHFFFAOYSA-N;97.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26158;MM26158;C=NN=CC(OC)=C(C)N;LUUVVXSPKVGGSN-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26159;MM26159;CCCCCC(N)C(N)=O;UMGJWCXKSKEXOF-UHFFFAOYSA-N;144.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26160;MM26160;CC(CO)CC=O;RWXBAXNFTXQJAY-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26161;MM26161;CC(CO)CC#N;ASRMXDBLGXVLGD-UHFFFAOYSA-N;99.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26162;MM26162;C=CCC(C)CF;BPCIERGUILOIRO-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26163;MM26163;CC(CF)CC=O;CNBMELBLQLSBFG-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26164;MM26164;CC(C=O)=CN(C)C;JGAMOQYFDMQPRJ-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26165;MM26165;C=CC(=O)C=NOCOC;VLEOOFNUVQLASX-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26166;MM26166;C=COC=CC(=O)CNC;IXGBUWQUYAMNGA-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26167;MM26167;CCCN(C=O)NCC#N;WYBSDNMLUAJMJN-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26168;MM26168;CCC(O)CC=O;WRWLNLBWBJEUPI-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26169;MM26169;CCC(O)CC#N;FXHRDEQPODSZQL-UHFFFAOYSA-N;99.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26170;MM26170;C#CC(C)=CC(=O)CNC;ARTMKNFSLYDRCF-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26171;MM26171;C=CCC(O)CO;KCPNPXFJBCFNRU-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26172;MM26172;O=CCC(O)CF;OUIOZBPYPQQQSK-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26173;MM26173;N#CCC(O)CF;SSLJCTIHTDMEDU-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26174;MM26174;CCC(F)CC=O;DNEOPNXWMLCLNN-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26175;MM26175;CC(F)CON=CC=O;PTRPHLQNBUWPNV-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26176;MM26176;O=CCC(F)CO;WNFRIEFIJYHBNU-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26177;MM26177;N#CCC(F)CO;FAUQYGRLNSAORD-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,4-difluorobutanal;MM02392;O=CCC(F)CF;GHZFZEMNBXODRE-UHFFFAOYSA-N;108.09;0.88;17868782;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26178;MM26178;N#CCC(F)CF;RKGUQVSNDQRDDI-UHFFFAOYSA-N;105.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26179;MM26179;CNC(=CC#N)OC=O;KTNGDKDFNJTNBZ-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26180;MM26180;C=C(CF)C(=O)CNC;WHLVSJYZXVLUDM-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26181;MM26181;C#CC(=NN(C)C)OC=O;HPEKHZPCAFNJNL-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26182;MM26182;COC(C)CC=O;VVXNMKJDQVBOLT-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26183;MM26183;COC(C)CC#N;WOAZYIVRCPMLHX-UHFFFAOYSA-N;99.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26184;MM26184;CCC(C)=NN(C=O)C=O;YTOZDPXDTZWCNH-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26185;MM26185;CNCC#CC(=O)C(C)F;SUAVJMYVFLJUHG-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26186;MM26186;CC(CF)NC=O;UYVLLSMRWIMFMT-UHFFFAOYSA-N;105.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26187;MM26187;COC(C)ON=CC=O;XGEPYXGNLKWOCD-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26188;MM26188;C=CC(=O)N(C)NCC#N;NKCKNPLLCWLRFN-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26189;MM26189;C=C(OC)C(C=O)=NOC;STEHSOBCYXZURU-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26190;MM26190;C=CCN(C=O)NCC#N;UBXUTZHXTKUXNX-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26191;MM26191;CC(=NOC=O)C(C)F;PBUMTLJQKIVSAD-UHFFFAOYSA-N;133.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26192;MM26192;C=COC(C)CO;KXSDQRFKIZDAKS-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26193;MM26193;CC(CO)OC=O;YPCKHFAYLAIVCX-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26194;MM26194;CC(CF)OC=O;PODAROBLFCQHRQ-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26195;MM26195;CNC(CCF)C(C)=O;CAXNLQDDLWMXHC-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26196;MM26196;C=COC(C)OC;ZUSJVJGXDLWONW-UHFFFAOYSA-N;102.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26197;MM26197;COC(C)OC=O;XSEWXNJPKMMYCR-UHFFFAOYSA-N;104.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26198;MM26198;C#CC=NOC(=O)OC;GQNNTRXPPYSOLS-UHFFFAOYSA-N;127.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26199;MM26199;CON=C(OC)C(C)F;TWCABERLWYKCCD-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26200;MM26200;CCN(C=N)C=NNC=N;NUTZJUHMZZNNHL-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26201;MM26201;C#CC(=N)N(C=O)C=CF;RGKIYIXFJCSHSP-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26202;MM26202;C#CCC(C)CC;YFZSGTDENCTWGW-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26203;MM26203;C#CC(C#C)N(C=N)C=O;LDTUDFGWNSIELC-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26204;MM26204;CCNN=C(N)C=CC=O;FEPQRJNWBQBDFU-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26205;MM26205;C#CCC(C)CF;JERUOIDHDXCZPF-UHFFFAOYSA-N;100.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26206;MM26206;CON=COC(C)=O;ZMKUZNYZAVYYBJ-UHFFFAOYSA-N;117.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26207;MM26207;O=CC=NOCCCF;QKKJJYIHWPXCNM-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26208;MM26208;NN=CNCC=CCF;AJWCBYSDJXBEFH-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26209;MM26209;C=COC=NOCC#N;XZKVNUVURNXUGO-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26210;MM26210;CC(N)C(F)C=NNC=N;KQDNADSCONEVTK-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26211;MM26211;C=COCCC(C=O)NC;ZEOLGZXMMHDDJW-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26212;MM26212;C=NN(C=O)C(C#N)=NC;ZSXVTMGHTAOKQO-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26213;MM26213;C#CC(C)ON=CC=O;SZSHEWVAEHXWBJ-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26214;MM26214;C=CC(C)CCF;NHGOGSFVKQEQRC-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26215;MM26215;CCCC(C)C=O;FTZILAQGHINQQR-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26216;MM26216;CCCC(C)C#N;FHBWGXDQIOWTCK-UHFFFAOYSA-N;97.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26217;MM26217;CC(C=O)CCO;PLBZJQQQFIOXRU-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26218;MM26218;CC(C#N)CCO;XOJXZLAGXTXBEQ-UHFFFAOYSA-N;99.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26219;MM26219;CC(C=O)CCF;RLSPLODANJZPHI-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26220;MM26220;CCOCON=CC=O;KLQDGJVKVFVYAU-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26221;MM26221;CONC(=N)C=CC#N;UPMYVYMBQMGICM-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26222;MM26222;C=CC(O)CCO;XOHPJWXAFXEPJQ-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26223;MM26223;C=CC(O)CCF;JFBAOQPTLSJUJX-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26224;MM26224;CCCC(O)C=O;SUTLBTHMXYSMSZ-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26225;MM26225;CCCC(O)C#N;AANFRDGJHYLLAE-UHFFFAOYSA-N;99.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26226;MM26226;O=CC(O)CCF;OEYAODGTYLLYOK-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26227;MM26227;C=CC(F)CCO;YEWIWABVOMOVAI-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26228;MM26228;N#CC(F)CCO;WADSURRFDFTAIB-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,4-difluorobutanal;MM02274;O=CC(F)CCF;DLGIOCRMAOUSSJ-UHFFFAOYSA-N;108.09;0.88;88138755;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26229;MM26229;N#CC(F)CCF;GACHGCJDBBAXEM-UHFFFAOYSA-N;105.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26230;MM26230;N#CCNCC(F)(F)C#N;MYWKOVIQWLKQGA-UHFFFAOYSA-N;145.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26231;MM26231;C#CCN(C=N)C(=O)C#N;UPSOQTJIMCFTLS-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26232;MM26232;CC(F)=C(CN)OC=NO;BXGNPSPBRUWLTK-UHFFFAOYSA-N;148.14;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26233;MM26233;C#CCC(N)C#CC=NO;PZRFXDBRPDEGCP-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26234;MM26234;C=COC(COC)=NOC;FCUQSWPKGKHXHQ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26235;MM26235;COC(C#N)=C(N)CF;WLQSWTHLTXLODF-UHFFFAOYSA-N;130.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26236;MM26236;COCC(C)C=O;QXEASUMNBOJEBO-UHFFFAOYSA-N;102.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26237;MM26237;COCC(C)C#N;ZGQCHFHNSDAMCY-UHFFFAOYSA-N;99.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26238;MM26238;C=C(C=O)N(C=O)C=NC;YHUJYKFXNYPOJA-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26239;MM26239;C=CC(O)COC;AGAONBOOZDRULZ-UHFFFAOYSA-N;102.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26240;MM26240;COCC(O)C#N;ZTGYDHMYFQUFMT-UHFFFAOYSA-N;101.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26241;MM26241;COCC(F)C=O;CZWVAZMSGCIDOG-UHFFFAOYSA-N;106.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26242;MM26242;COCC(F)C#N;ZBRWZPQLJDRPHE-UHFFFAOYSA-N;103.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26243;MM26243;C#CC(=O)N(C=N)N=CC;XQOWBZOGWVPDRI-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26244;MM26244;CCNCC=NO;TZQUYZORBIQZPA-UHFFFAOYSA-N;102.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26245;MM26245;CCN(C(=O)C#N)N(C)C;AYSKEQWIMWUGFL-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26246;MM26246;CCOC(C)C#N;SNJNVEVAILOJBB-UHFFFAOYSA-N;99.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26247;MM26247;CNC(=O)NC(=NN)NC;KVVJTVYDHUHHFT-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26248;MM26248;COC(N)=C(F)C#N;VMHQLRZMRLQTGD-UHFFFAOYSA-N;116.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26249;MM26249;CN(C=O)CCO;ZFEJGMDGENZPMS-UHFFFAOYSA-N;103.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26250;MM26250;C=CC(=O)OC=NOC;SDOFMVMAXDYSJA-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26251;MM26251;CN(C=O)N=CC#CCF;VDYMWWQCWPODEM-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26252;MM26252;C#CC(O)(C#CCN)CC;UXTCRIVYRHBFDW-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26253;MM26253;C=CCCC(=NO)C(=N)N;CXRXLAKQVQBEJI-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26254;MM26254;O=CN(O)CCO;CDSLRTWAHPBBCK-UHFFFAOYSA-N;105.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26255;MM26255;C#CC(O)C(C)(N)C#CC;BBTSEBAMOHSNCL-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26256;MM26256;CON=COCC#CC#N;NCULZEPTEHIKFF-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26257;MM26257;N#CC#CCC=NOC=O;ABSNHDKADIPTLT-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26258;MM26258;CCN(C=O)NC(C)C#N;MDYMUUFQZNJQNT-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26259;MM26259;CCON(C)C=O;ZAZSDIMSHOTGNC-UHFFFAOYSA-N;103.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26260;MM26260;C=CCC(C)C=C;JXENLILXUMZMFC-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26261;MM26261;C=CC(C)CC=O;MWSZRPZREJBOIP-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26262;MM26262;C=CC(C)CC#N;YTRFECUANDWSMV-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26263;MM26263;C=CCC(C)C=O;RCQKLWAPRHHRNN-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26264;MM26264;CC(C=O)CC#N;GSDBCUROWGFXAT-UHFFFAOYSA-N;97.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26265;MM26265;CC(C#N)CC=O;KCPVAVSGLOKLBU-UHFFFAOYSA-N;97.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26266;MM26266;CC(C#N)CC#N;WEOKHGKSYLOTPP-UHFFFAOYSA-N;94.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26267;MM26267;CC(C)OC=NOC=O;ZBUQAVHKPMKSRR-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26268;MM26268;C#CC(F)=C(CN)NC=O;ZFPBJGUSAUKCLK-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26269;MM26269;C=CC(O)CC=O;YVCNXMGONDDLBG-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26270;MM26270;C=CCC(O)C=O;FRBAGXLZGGLKKP-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26271;MM26271;N#CCC(O)C=O;ONRIKNNRMOMYDP-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26272;MM26272;N#CCC(O)C#N;JXPDNDHCMMOJPC-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26273;MM26273;C=CC(F)CC=O;CBFQNZJMTUYURA-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26274;MM26274;C=CC(F)CC#N;NFRMDEFEBNDYIC-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoropent-4-enal;MM02271;C=CCC(F)C=O;RWEHMJOZZQIFPW-UHFFFAOYSA-N;102.11;1.1;55266594;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26275;MM26275;C=CCC(F)C#N;FEYOHSYSDYKMSK-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15725;MM15725;O=CCC(F)C=O;GKEUKEGBTSDULM-UHFFFAOYSA-N;104.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15631;MM15631;N#CCC(F)C=O;LUQRWNSUNHTURV-UHFFFAOYSA-N;101.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26276;MM26276;N#CCC(F)C#N;WYKBVUYCBGSYDZ-UHFFFAOYSA-N;98.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26277;MM26277;CN(C)N(C=O)CC#N;RZWZYBNATQUDRU-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26278;MM26278;C=CC(=O)N(C)N=COC;UWAXAUCZESXQRQ-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26279;MM26279;CC(C#N)NC=O;ONONIESHMTZAKB-UHFFFAOYSA-N;98.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26280;MM26280;C=C(C=O)C(C=O)=NOC;OCUAZINVTWOBCQ-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26281;MM26281;CNC(CF)CC#CCO;SYFODBJLMBDTEH-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26282;MM26282;N=CNOC=NOC(N)=O;GUZMGXAQUNBNNU-UHFFFAOYSA-N;146.11;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26283;MM26283;C=COC(C)C=C;JUTCMKCFMKVJNU-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26284;MM26284;CC(C#N)OC=O;SMPBZZGHIJXLDZ-UHFFFAOYSA-N;99.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26285;MM26285;C=CCOCON=CC=O;KYVPJVGKQYOZOB-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26286;MM26286;CC(C#N)=NN(C)C;WILOMHSLTCGLLS-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26287;MM26287;COC(C)(C)ON=CC=O;XZXXDCRFWYHCMK-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26288;MM26288;CON=C(C)OC=CC#N;GNONDGYZWCTTMR-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26289;MM26289;CNC(C#N)(C#N)C=CF;OUXFRAHZUJLFTR-UHFFFAOYSA-N;139.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26290;MM26290;N#CCONC(=N)CO;LZIQZAULQNCLEW-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26291;MM26291;CC(C)(C)N=C(CO)NN;BCIUDTRTIYBBSH-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26292;MM26292;COC(C#N)C(N)=CC#N;MOEHSLZKMJOGQH-UHFFFAOYSA-N;137.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26293;MM26293;C#CCC(C#CCO)NC;ROIBAMAGEWWHRB-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26294;MM26294;C#CC=NN(C=C)C=O;ZRQOPTMRQDDWPJ-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26295;MM26295;C=CN(C=O)C=NN(C)C;QOZCOUDZMLQKFR-UHFFFAOYSA-N;141.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26296;MM26296;CN(C=O)OC=O;LRSJBGULDQENCX-UHFFFAOYSA-N;103.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26297;MM26297;C#CCC(C)C=C;CRQMMQOXZGRPSF-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26298;MM26298;C#CCC(C)C#N;OYORYGQDIOWCFF-UHFFFAOYSA-N;93.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26299;MM26299;COC=NOC(C#N)OC;NDFRXBRWPNRONA-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26300;MM26300;CCN(O)C(=N)N(C)O;AJHCQLJIBLWGDQ-UHFFFAOYSA-N;133.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26301;MM26301;C#CCC(O)C=O;IUKVULKYNUKQPA-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26302;MM26302;C#CCC(O)C#N;GXXLVQNZFXXJCY-UHFFFAOYSA-N;95.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoropent-4-ynal;MM02261;C#CCC(F)C=O;MSSJETWOIKAUPA-UHFFFAOYSA-N;100.09;0.55;139334120;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26303;MM26303;C#CCC(F)C#N;UQKQFHCMWVGYGB-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26304;MM26304;CCN(C=O)N=COC;VPCBJFZNTTWRIU-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26305;MM26305;C#CC(=N)N(C=O)N=CC;YGDYUVFGKNJRMK-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26306;MM26306;C#CC=NOC(=O)C=O;PDMYMWLUCOJXOI-UHFFFAOYSA-N;125.08;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26307;MM26307;CC(=CC=O)N(C)C;IDJAOINWMZLJQZ-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26308;MM26308;CN(C)C(=CC#N)OC=O;XXBWIWCUFYJFLB-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26309;MM26309;C#CC(C)CCC;OPZULQHRFNTFFZ-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26310;MM26310;N=CN(C=O)C=NC=O;OSGGFCFSEBWONV-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26311;MM26311;CN(C)C=CC(=O)N(C)C;GOPSGESEBDLWKA-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26312;MM26312;CC(C)OCON=CC=O;MCIBHSWLVHTMDH-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-1-yn-3-ol;MM01960;C#CC(O)CCC;LTFTWJYRQNTCHI-UHFFFAOYSA-N;98.15;0.78;7746;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26313;MM26313;C#CC(O)CCF;JZJJDMNQGQDLET-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26314;MM26314;CN(N=CC=O)C(=N)C=O;VMLKWQNNOQNZKC-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26315;MM26315;C#CC(F)CCO;PHTQMEIHSKSSJD-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26316;MM26316;C#CC(F)CCF;ARSHJUSTYVZTQN-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26317;MM26317;C=NN=CC=NN(C)C=O;UUTZFNRTAOFUTN-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26318;MM26318;C=CCC=NN(C=O)C=O;ORKKWPVOSFQDPC-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26319;MM26319;CC=NN(C=O)C=O;LECFNUTXGMRTBK-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26320;MM26320;C#CC(O)COC;MECYGCRDPKFXFH-UHFFFAOYSA-N;100.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26321;MM26321;C#CC(F)COC;HZNWCYZKLOCCNR-UHFFFAOYSA-N;102.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26322;MM26322;C#CC(C)CC=C;VLDDXODKFIHTKE-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26323;MM26323;C#CC(C)CC=O;ISHREGPJMROSHC-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26324;MM26324;C#CC(C)CC#N;XWQVBTVYPGVPHQ-UHFFFAOYSA-N;93.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26325;MM26325;C=C(C=O)CON=CC=O;CHHJZRAXTQXEAN-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26326;MM26326;C#CC(O)CC=C;HRTFZVSJWXOSIX-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26327;MM26327;C#CC(O)CC=O;XKNXUCSEAFIIDV-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26328;MM26328;C#CC(O)CC#N;MVMOQPPHMMOKPX-UHFFFAOYSA-N;95.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26329;MM26329;C#CC(F)CC=O;RYTMUXOKVPHVIC-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26330;MM26330;C#CC(F)CC#N;LJCIHVBYJXHDRY-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26331;MM26331;CC(=CCC=O)N(O)C=N;HJQAPNIIBAARNQ-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26332;MM26332;C#CC(C)OC=C;MWMOSPPWVYYNML-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26333;MM26333;C#CCC(C)C#C;YIIXSWYKGFHAFL-UHFFFAOYSA-N;92.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26334;MM26334;C#CC(C=NOC=O)OC;OVOUEFCVIFWBNS-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26335;MM26335;C#CCC(O)C#C;VQCASYRXZJHWSN-UHFFFAOYSA-N;94.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26336;MM26336;C#CCC(F)C#C;DDBOMAQOLZCMJV-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26337;MM26337;C=C(CC)CCC;TWCRBBJSQAZZQB-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26338;MM26338;CCN(C)C=CC=O;FTHNBYROLQSZSR-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26339;MM26339;CC(C)N(C=O)NCC#N;WUHHRRUMZULBSZ-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26340;MM26340;CCN(NCC#N)C(C)=O;CREUGLDTMFSGNA-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26341;MM26341;CC=CC(=N)N(C=O)OC;IRXWFRAHVWAJID-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26342;MM26342;C=C(CO)CCC;BXJQZHHEWYUFAC-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26343;MM26343;C=C(CO)CCO;YAJSVGNJAFUMAC-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26344;MM26344;C=C(CO)CCF;KYUTWTPEZZUKDM-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26345;MM26345;C=C(CF)CCC;UYVCRGRZHHNNIL-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26346;MM26346;C=NN(CC#N)C(=O)C#N;MJVIPCNYTZEJBS-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26347;MM26347;CCCC(=O)CC;PFCHFHIRKBAQGU-UHFFFAOYSA-N;100.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26348;MM26348;CCC(=O)CCO;TYXULUBCBKMSSK-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26349;MM26349;CCC(=O)CCF;OYRMHTPYKXUKCS-UHFFFAOYSA-N;104.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26350;MM26350;CCCC(=O)CO;WOVLKKLXYZJMSN-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26351;MM26351;O=C(CO)CCO;XBJODPUPYBBDEM-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26352;MM26352;O=C(CO)CCF;OPTSFOTYOATPNP-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26353;MM26353;CCCC(=O)CF;WBUAQWNTFXJGSP-UHFFFAOYSA-N;104.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26354;MM26354;O=C(CF)CCO;QUMJVIGPGKFULO-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26355;MM26355;O=C(CF)CCF;JFKBBUMRSMWIOP-UHFFFAOYSA-N;108.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26356;MM26356;COCC=NOC(=O)OC;TWHIKEAFSJXKIW-UHFFFAOYSA-N;147.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26357;MM26357;CC(C)(CO)N=CNN;YSWIUIBDLQDCLP-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26358;MM26358;CNC(OC=O)=C(C)C#N;CXADMKILNAQCCP-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26359;MM26359;C=NN=C(C=NOC)OC;MPHBTDCSJOBJTO-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26360;MM26360;C=C(CO)COC;MATQEJYLTJVBQS-UHFFFAOYSA-N;102.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26361;MM26361;C=C(CF)COC;KQDZZYLELDVMNX-UHFFFAOYSA-N;104.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26362;MM26362;CCC(=O)COC;AKXHGJCMQJQWMU-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26363;MM26363;COCC(=O)CF;IIZPLFXRTQIFFY-UHFFFAOYSA-N;106.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26364;MM26364;COC=NOC(C#N)CF;HQEOCAWVGXBWBT-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26365;MM26365;C=COC=NOCOC=O;UUWFQDSMYHQOBZ-UHFFFAOYSA-N;145.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26366;MM26366;C#CC(F)(F)C=NN;DGHGHXCPLKUKCW-UHFFFAOYSA-N;118.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26367;MM26367;CCCN(O)C(=N)OC;PTIWBLRMCBQYKM-UHFFFAOYSA-N;132.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26368;MM26368;CC(C)=NNC(=NN)NO;NYRKZLDWTARRMG-UHFFFAOYSA-N;145.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26369;MM26369;CNC(=O)CCO;TWOQEKLRIJBDSY-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26370;MM26370;C=CN(C=N)C(=CF)CO;UXBKLDGRJKHQER-UHFFFAOYSA-N;144.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26371;MM26371;CN(C=O)C(=N)CF;VOPJCJPKSGROFT-UHFFFAOYSA-N;118.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26372;MM26372;COCON=COCC#N;GXUGQFARIGTASJ-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26373;MM26373;C#CCN(O)C(=N)COC;HBSKZEAKFMWQSJ-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26374;MM26374;CNC(=O)COC;DYJPVSYLWLJPEE-UHFFFAOYSA-N;103.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26375;MM26375;COCC(=O)NO;CCQAKIJTDBTYRO-UHFFFAOYSA-N;105.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26376;MM26376;CC=NOC(=O)C#N;UGOWLMMLMWKYAI-UHFFFAOYSA-N;112.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26377;MM26377;C=C(CCO)OC;OICLRLGMBYORTD-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26378;MM26378;COC(=O)CCO;RVGLEPQPVDUSOJ-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26379;MM26379;COC(=O)CCF;MKQCXAWZBHOHBT-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26380;MM26380;C#CC(=O)N(C=N)N=C;ROANYDQJOQHNQW-UHFFFAOYSA-N;123.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26381;MM26381;C=C(COC)OC;USZQGXVRDYONEE-UHFFFAOYSA-N;102.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26382;MM26382;COCC(=O)OC;QRMHDGWGLNLHMN-UHFFFAOYSA-N;104.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26383;MM26383;CON=C(C)C=O;OYHWJNZJOYDYGD-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26384;MM26384;CN=C(NCC=O)N(C)O;ALKVVRIKSMJDNY-UHFFFAOYSA-N;145.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26385;MM26385;CCNC(=O)CO;HWVOWKVXWMUGMS-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26386;MM26386;CCNC(=O)CF;CGJGVBZLVOINCH-UHFFFAOYSA-N;105.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26387;MM26387;CON(CC#N)C(=N)C=O;QYUUJBBGJDNNJU-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26388;MM26388;COCOC=NOCC#N;WIZIGJBJXYJHOR-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26389;MM26389;CC#CCONC(=N)NO;KKKMUOXEQWSCSV-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26390;MM26390;CCNC(=O)NO;PPWNKYXWTZJASD-UHFFFAOYSA-N;104.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26391;MM26391;C=NN=C(NC)N(C)N=C;MBBZFPIEEUKMRG-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26392;MM26392;CC(=CC=O)C(=N)N(C)O;BUDWMRSZCWLIOD-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26393;MM26393;CNNC(=O)NO;XJMFVCSXHOAVLZ-UHFFFAOYSA-N;105.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26394;MM26394;C=NNC(=NC)N(N)C=N;CQHRCBDBAQYLML-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26395;MM26395;CNC(=O)NOC;OWRHJTUZVUYYNA-UHFFFAOYSA-N;104.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26396;MM26396;CONC(=O)NO;TUNKBCFPKYAPIJ-UHFFFAOYSA-N;106.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26397;MM26397;CN(C)C=C(C#N)C#N;LBUDLOYYNHQKQI-UHFFFAOYSA-N;121.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26398;MM26398;CCNC(=O)OC;AEARPZNULDFPNQ-UHFFFAOYSA-N;103.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26399;MM26399;C=NOC(C)(C)C(=N)NO;ZWGPXHHQWPRVBT-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26400;MM26400;C=CNC(C=O)=NOC;QNROUPCEWPRMJK-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26401;MM26401;CONC(=O)OC;YNSJOPSUEZGJNN-UHFFFAOYSA-N;105.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26402;MM26402;CCC=NN(C=O)C=O;JMQMAPJYPPZIFT-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26403;MM26403;CCOC(=O)CO;ZANNOFHADGWOLI-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26404;MM26404;CON=COC=CC#N;CSIBOJOEJGCKHO-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26405;MM26405;CCOC(=O)NC;SURZCVYFPAXNGN-UHFFFAOYSA-N;103.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26406;MM26406;CCOC(=O)NO;VGEWEGHHYWGXGG-UHFFFAOYSA-N;105.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26407;MM26407;CCOC(=O)OC;JBTWLSYIZRCDFO-UHFFFAOYSA-N;104.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26408;MM26408;C=CCC(=C)CC;PNXMIJYYFPUKIF-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26409;MM26409;C=C(CC)CC=O;ZMEPKIQHHHBKED-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26410;MM26410;C=C(CC)CC#N;LKZIPDMSUZPITO-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26411;MM26411;C=CCC(=C)CO;KDKANQKRVYXWDI-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26412;MM26412;C=C(CO)CC=O;GKTWHOZSCCJMOB-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26413;MM26413;C=C(CO)CC#N;AZZUIHRSUSMNTL-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26414;MM26414;C=C(CF)CC=O;GGGHLLSJAFICET-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26415;MM26415;C=C(CF)CC#N;GWFBGOHSJPSJIN-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26416;MM26416;C=CCC(=O)CC;RUJLJMUWUVTHEU-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxopentanenitrile;MM02294;CCC(=O)CC#N;KOYWUYIBEXFRFH-UHFFFAOYSA-N;97.12;0.88;9920369;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26417;MM26417;C=CCC(=O)CO;FWWUDIZDUCZLNY-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15606;MM15606;C=CCC(=O)CF;NWUFLFDWEHHPNN-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-fluoro-3-oxobutanenitrile;MM02204;N#CCC(=O)CF;ZQKRBAXFUYOFLR-UHFFFAOYSA-N;101.08;0.44;129452586;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26418;MM26418;CON=CON(C)C(C)=O;DJENEIGSYHXUBG-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26419;MM26419;CN=CC(F)=C(CN)NO;PNYWYRIHKNXFIE-UHFFFAOYSA-N;147.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26420;MM26420;N#CCOC=NOCCF;WBDWSDKEGCLCMY-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26421;MM26421;C=NNC(=N)N(C)C=NN;JJYKYRJBGJGSOA-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26422;MM26422;C=NN=C(NC)N(C)N;CQJOIAKYCFJPIJ-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26423;MM26423;CNC(=O)CC#N;LIHUTSFYFGCWQP-UHFFFAOYSA-N;98.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26424;MM26424;N#CCC(=O)NO;MPWNOABETINAJI-UHFFFAOYSA-N;100.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26425;MM26425;C=C(CC#N)OC;UKHCINHEPDKFMO-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26426;MM26426;COC(=O)CC#N;ANGDWNBGPBMQHW-UHFFFAOYSA-N;99.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26427;MM26427;C=NOC(=O)C#N;JPNZPZHDOBKVKX-UHFFFAOYSA-N;98.06;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26428;MM26428;CC=NN(C=N)C(=O)OC;CZGLLDFUOOKAKY-UHFFFAOYSA-N;143.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26429;MM26429;C#CC(=NOC)OC=C;ZIAVZHVJHWRTNE-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26430;MM26430;CON=C(C)C(=O)C=CN;HAKHWPZBGJECFH-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26431;MM26431;CN=CNOC(C)CC=O;URKWOJNAZAPCTE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26432;MM26432;C#CC(=NCC=O)N(C)C;GQGYDOWTXABHGB-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26433;MM26433;N=C(CO)NC=O;XNOMBUBKFCIDMS-UHFFFAOYSA-N;102.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26434;MM26434;CCNC(=CC#N)CC#N;HSNZTXCVLQACMZ-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26435;MM26435;C=CNC(=O)CC;IUWVWLRMZQHYHL-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26436;MM26436;CCC(F)(CNC)C(C)=O;ZBZWQHXZILXRFZ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26437;MM26437;C=CC(=NC)NN=CCO;VYZDEQYZNPPZSF-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26438;MM26438;CN=C(C)NN=C(N)C=O;ISVRFXQPAKBYBO-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26439;MM26439;C=NNC(=O)CO;ZKBFVKGJOUQXHJ-UHFFFAOYSA-N;102.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26440;MM26440;C=NNC(=O)CF;BTNOUFUDNUWEKX-UHFFFAOYSA-N;104.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26441;MM26441;CC(=N)N(C=N)C(=O)C#N;GQZAAFCNOFRHHY-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26442;MM26442;C#CC(=NC)N(C=N)C=O;FVLWYIPAYQZYPD-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26443;MM26443;C=CC#CC(=N)NCC=O;QVWZHRYOHNCJOJ-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26444;MM26444;CN=C(CCC=O)N=CN;LVYPZXWGTREUPV-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26445;MM26445;C=C(OC)C(CC=O)NC;XRIDXZLTRXFRCO-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26446;MM26446;C#CC=CC(=O)CNC;JPRXTPARMVOBKH-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26447;MM26447;CNCC(=O)C(C)=C(C)C;PLRQRLIWGHBWFF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26448;MM26448;C=CC(C)=CC(=O)CNC;WFMQVUOXKDDKIG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26449;MM26449;CNC(=O)NC=O;GACRQGIFQMUNPR-UHFFFAOYSA-N;102.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26450;MM26450;CCC=NNC(=NN)NC;LDJMDJKFLXEWNO-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26451;MM26451;NNC(=O)NC=O;BZPHAIQYMRAMDN-UHFFFAOYSA-N;103.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26452;MM26452;N=CNC(=O)NO;GACQYVHDRRGBLG-UHFFFAOYSA-N;103.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26453;MM26453;O=CNC(=O)NO;BOUFIOJYADEPPY-UHFFFAOYSA-N;104.07;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26454;MM26454;C=C(C)C=CC(=O)CNC;CANWJABNOUCWCD-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26455;MM26455;C=NNC(=O)NC;QVRUCCTYMFCHQN-UHFFFAOYSA-N;101.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26456;MM26456;C=NNC(=O)NN;RVVCWFFXOWTCLH-UHFFFAOYSA-N;102.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26457;MM26457;C=NNC(=O)NO;RWNQYLGYICRYII-UHFFFAOYSA-N;103.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26458;MM26458;C#CCON=COCC#N;SWLJMBZGQVNZNY-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26459;MM26459;C=C(NC=O)OC;SVQHDBSESLSMKZ-UHFFFAOYSA-N;101.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26460;MM26460;C#CCOC=NOCC#N;ZXZDFEULUIVXKS-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26461;MM26461;C=CNC(=O)OC;LHVXTHWIHWZYSY-UHFFFAOYSA-N;101.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26462;MM26462;COC(=O)NC=O;PAEQHBLXMXRMEA-UHFFFAOYSA-N;103.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26463;MM26463;C#CCN(C)CC=O;BLPWHDQWGMDACE-UHFFFAOYSA-N;111.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26464;MM26464;C=NNC(=O)OC;ABJLXUNHSXVTHS-UHFFFAOYSA-N;102.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26465;MM26465;C#CC(=NN)C(C)(F)F;SJHHXUKEJPKLFL-UHFFFAOYSA-N;132.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26466;MM26466;C=COC(=C)CO;IVQGVZAFEBTDOC-UHFFFAOYSA-N;100.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26467;MM26467;C=C(CO)OC=O;XMHDYBHKDNVAPH-UHFFFAOYSA-N;102.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26468;MM26468;C=COC(=O)CO;BLANBUKUVIWWGZ-UHFFFAOYSA-N;102.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26469;MM26469;CC=C(C)C(=O)CNC;YBIUGVADIXVPDE-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26470;MM26470;CCON(C(C)=N)C(C)=O;NZWAELOMKUEYBL-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26471;MM26471;CC(C)C=NN(C=O)C=O;ZRDDOHNZNRSFKV-UHFFFAOYSA-N;142.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26472;MM26472;CNC(=NNC=N)OC;NTMZVMOJEJIZSP-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26473;MM26473;CCC(C)=CC(=O)CNC;XFMZJXNQSGRCJV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26474;MM26474;CC=NN(C=O)C(C)=O;HWKBCDKWYWYEQB-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26475;MM26475;C=CCC(=C)C(=O)CNC;NPQYLJMVZSBVGS-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26476;MM26476;CNCC(=O)C=C(C)C;ZXFXQZKIRCELQH-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26477;MM26477;C=NOC(=O)NN;WCLIWUPCZIVZBV-UHFFFAOYSA-N;103.08;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26478;MM26478;C=NOC(=O)NO;PUFQVRUNMQLZGI-UHFFFAOYSA-N;104.07;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26479;MM26479;C=COC(=O)OC;NCHRDVARPJUMRC-UHFFFAOYSA-N;102.09;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26480;MM26480;CC=NOC(=O)C#CC=O;SYOINJCHALWTMY-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26481;MM26481;C#CCC(=C)CC;HTGACUDTVZLPRX-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26482;MM26482;C=NN=CC(=N)N(C)C=O;XXCAFGIOTVEUDZ-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26483;MM26483;C#CCC(=C)CO;SONMATNSCBTKOY-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26484;MM26484;C#CCC(=C)CF;UEFMWDJFJJYOTH-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26485;MM26485;C#CCC(=O)CC;QYLGQRONKQFHNG-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26486;MM26486;C#CCC(=O)CO;MCGZMLCJESYFGI-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-fluoropent-4-yn-2-one;MM02217;C#CCC(=O)CF;TXJXYGGTYBBDTJ-UHFFFAOYSA-N;100.09;0.55;142693376;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26487;MM26487;CNC(=CC#N)C(C)C#N;BQUSXNHTAROYRL-UHFFFAOYSA-N;135.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26488;MM26488;CCON(C=O)C=NC=N;GPPDMWQSIUDZHJ-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26489;MM26489;C=C(C(=O)CNC)C(C)C;YTXXUNDFPHWEML-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26490;MM26490;C#CCC(=O)NC;XQGSDCFKCXBLFR-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26491;MM26491;C#CCC(=O)NO;PTIUYQFDKJPHHR-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26492;MM26492;C#CCC(=O)OC;JGEGAAGXXWDCOJ-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26493;MM26493;CN(C)N(C=O)C=O;QIFGQIUNRKJCPZ-UHFFFAOYSA-N;116.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26494;MM26494;C=C(C=O)CCC;RTTWLTLNKLTUJR-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26495;MM26495;C=C(C#N)CCC;YSGPDJCRZNUFBU-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26496;MM26496;C=C(C=O)CCO;HXONYKIVDNJZBB-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26497;MM26497;C=C(C#N)CCO;UGOMNHQMVBYVEL-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26498;MM26498;C=C(C=O)CCF;DFNFYBFYKPRTFJ-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26499;MM26499;C=CC(=O)CCO;PZNXJCRPOUAPKN-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26500;MM26500;C=CC(=O)CCF;WHPIPSZKQAWHDC-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26501;MM26501;CCCC(=O)C#N;XJITTZAUZHVBLF-UHFFFAOYSA-N;97.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26502;MM26502;O=CC(=O)CCO;CUSSNCHZLYDUPJ-UHFFFAOYSA-N;102.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26503;MM26503;N#CC(=O)CCO;BJKBQNUYRMASEG-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26504;MM26504;O=CC(=O)CCF;UFXHWOQVEZUFIN-UHFFFAOYSA-N;104.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26505;MM26505;N#CC(=O)CCF;ZZVGPMWWWGYANO-UHFFFAOYSA-N;101.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26506;MM26506;C#CC(C=NN=C)=CN;BNRHMAWUBWFMQB-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26507;MM26507;C#CC(=NOCOC)OC;XFTHYSXKMMEJFU-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26508;MM26508;CON(C(C)=N)C(C)=O;CSYCYBLCMPAWNT-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26509;MM26509;C=C(CC)C(=O)CNC;JIMSNZALQFABSZ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26510;MM26510;C=C(C=O)COC;GXIKFQDWFQDJMU-UHFFFAOYSA-N;100.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26511;MM26511;C=CC(=O)COC;QTDSKVOHJOFQES-UHFFFAOYSA-N;100.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26512;MM26512;COCC(=O)C=O;AWWGRWIVPDTCPY-UHFFFAOYSA-N;102.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26513;MM26513;COCC(=O)C#N;VAOFAAWJBWKPFH-UHFFFAOYSA-N;99.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26514;MM26514;CN(C)C(N)=C(C#N)C#N;JOMXGLMNJUSMQX-UHFFFAOYSA-N;136.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26515;MM26515;CCNC(=O)C#N;XFZUKWVVRLLDKR-UHFFFAOYSA-N;98.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26516;MM26516;C=C(C)C(=O)CNC;KPOSVHFBSLZPOB-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26517;MM26517;C=C(C#N)C(=NNC)NC;XLAIDIQMPZMMFW-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26518;MM26518;CN(C=O)C(=N)C#CC#N;DVLULUMWJNXGCS-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26519;MM26519;CC=NN(C=O)C(=N)CF;IYSRKCATIGIMDM-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26520;MM26520;CONC(=O)C#N;WALAAAZMGDDAGZ-UHFFFAOYSA-N;100.08;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26521;MM26521;CCOC(=O)C=O;DBPFRRFGLYGEJI-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26522;MM26522;CCOC(=O)C#N;MSMGXWFHBSCQFB-UHFFFAOYSA-N;99.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26523;MM26523;C=CCC(=C)C=C;KKNPRIPURUONKE-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26524;MM26524;C=CC(=C)CC=O;LIRIXHIUTBAAIL-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26525;MM26525;C=CC(=C)CC#N;NQAUMUFQJWNYGT-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26526;MM26526;C=CCC(=C)C=O;KUQQYMIMELKQHJ-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26527;MM26527;C=CCC(=C)C#N;ITVDLIQJPKHJKD-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methylidenebutanedial;MM02531;C=C(C=O)CC=O;CRVPWZYRPKYRCI-UHFFFAOYSA-N;98.1;0.33;23448613;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26528;MM26528;C=C(C=O)CC#N;PRAMDSUADFTBNH-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methylidene-4-oxobutanenitrile;MM02371;C=C(C#N)CC=O;VZOFHJUNBXLEGQ-UHFFFAOYSA-N;95.1;0.66;20206050;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26529;MM26529;C=C(C#N)CC#N;GXRMTTBFSSTDNB-UHFFFAOYSA-N;92.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26530;MM26530;C=CCC(=O)C=C;IFNMFFFINNZGER-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxopent-4-enal;MM02984;C=CC(=O)CC=O;GRNDXOGZORGERT-UHFFFAOYSA-N;98.1;0.33;18924614;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26531;MM26531;C=CC(=O)CC#N;OLGYAOFWACOZCU-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-oxopent-4-enal;MM02213;C=CCC(=O)C=O;XVAVEESGSGHXPX-UHFFFAOYSA-N;98.1;0.33;18359433;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"But-3-enoyl Cyanide";MM02155;C=CCC(=O)C#N;RLCNKSSDWCSUCR-UHFFFAOYSA-N;95.1;0.66;141192121;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-oxobutanedial;MM02047;O=CCC(=O)C=O;OWIMZZMOFXSCLT-UHFFFAOYSA-N;100.07;-0.66;19784777;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15578;MM15578;N#CCC(=O)C=O;UWSXIKZLWGOQEV-UHFFFAOYSA-N;97.07;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26532;MM26532;N#CC(=O)CC=O;IMUGDXGTIOVJBS-UHFFFAOYSA-N;97.07;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26533;MM26533;N#CCC(=O)C#N;OHQNCEVBRFYIHH-UHFFFAOYSA-N;94.07;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26534;MM26534;C#CC(=N)N(C=O)N=C;RVNFAYMTVKTRSD-UHFFFAOYSA-N;123.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26535;MM26535;CCON=C(C#N)N(C)C;SIOUSBABTPLJOK-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26536;MM26536;C=C(C#N)NC=O;WLKZQVIRCOTZNT-UHFFFAOYSA-N;96.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26537;MM26537;CCN(C=O)C=NN(C)C;YHUSRTLODOIUFV-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26538;MM26538;CC=NOC(=O)C(=O)C#N;OYKAHYSFEADBKB-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26539;MM26539;CC=CC(=O)CNC;ZJKAGAQOSXNJAK-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26540;MM26540;C=CNC(=O)C=C;ILCQQHAOOOVHQJ-UHFFFAOYSA-N;97.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26541;MM26541;C=CC(=O)NC=O;FGPRMKMMRHMWPX-UHFFFAOYSA-N;99.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26542;MM26542;C=CNC(=O)C=O;USQBWGYMNIUISR-UHFFFAOYSA-N;99.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26543;MM26543;C=CNC(=O)C#N;HTZZPSFWHBPNMW-UHFFFAOYSA-N;96.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26544;MM26544;N#CC(=O)NC=N;YCHFNGRLTUBFAV-UHFFFAOYSA-N;97.08;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26545;MM26545;N#CC(=O)NC=O;PTFAWOZBOAKKTL-UHFFFAOYSA-N;98.06;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26546;MM26546;C=CC(N)C(CF)=NOC;ARCZPKZSFOIZQZ-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26547;MM26547;C=CC(=O)CNC;BXCVGUGWEFHZCM-UHFFFAOYSA-N;99.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26548;MM26548;N=C(NN)NOC(=N)NN;DMFIWAULRWMHQA-UHFFFAOYSA-N;147.14;-2.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26549;MM26549;C=NNC(=O)C=O;SXTSGIRSIRLQOE-UHFFFAOYSA-N;100.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26550;MM26550;C=NNC(=O)C#N;VLSUHDWDQVTUQY-UHFFFAOYSA-N;97.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26551;MM26551;C=COC(=C)C=O;SMFLTAARSDNHRE-UHFFFAOYSA-N;98.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26552;MM26552;C=COC(=C)C#N;QDCRGBFXKNRGMI-UHFFFAOYSA-N;95.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26553;MM26553;C=C(C=O)OC=O;SPCIJTAGKYXJHE-UHFFFAOYSA-N;100.07;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26554;MM26554;C=COC(=O)C=C;BLCTWBJQROOONQ-UHFFFAOYSA-N;98.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26555;MM26555;C=COC(=O)C=O;MIQMFTDGRBLTFQ-UHFFFAOYSA-N;100.07;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26556;MM26556;C=COC(=O)C#N;ACDBEJLWCQUPIL-UHFFFAOYSA-N;97.07;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26557;MM26557;C=NN(C=O)C=O;GKXBOYYMZJJJGL-UHFFFAOYSA-N;100.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26558;MM26558;COCCON=CC=O;ICIMYLLJRQLIIL-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26559;MM26559;C#CCC(=C)C=C;DAQYZMQSSJXJPB-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26560;MM26560;C#CCC(=C)C=O;DIJBZPPKFRKETR-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26561;MM26561;C#CCC(=C)C#N;UFGTUAVDVOGDDD-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26562;MM26562;C#CCC(=O)C=C;ZAVDDQIEBBRFQQ-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26563;MM26563;C#CCC(=O)C=O;KDTAHWPPOZXHNR-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15560;MM15560;C#CCC(=O)C#N;HNPNKBKGLHIUFI-UHFFFAOYSA-N;93.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26564;MM26564;C#CC(=C)CCC;JYUHTAYQXZGILC-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26565;MM26565;C#CC(=C)CCO;QBXXGVSBUPNZSV-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26566;MM26566;C#CC(=O)CCC;KSJAIMUFADDAOP-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26567;MM26567;C#CC(=O)CCO;SFAJVRCBFQALSP-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26568;MM26568;C#CC(=O)CCF;RNDHEFRXYTXAMY-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26569;MM26569;COC=NOC=NOC;PDRZDBZJFQTQPK-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26570;MM26570;C#CC(=C)COC;VLASGMHPURWKGG-UHFFFAOYSA-N;96.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26571;MM26571;C#CC(=O)COC;MZDGHNZNGTVQFP-UHFFFAOYSA-N;98.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26572;MM26572;C=NN=CON=COC;TVKQWYNUGILAGT-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26573;MM26573;C#CC(=O)NCC;FZJYKFBXZVSIRY-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26574;MM26574;C=CC(C=O)=NOCC#N;QBTNPFKLAMGZSM-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26575;MM26575;C#CC(=O)NOC;URRVMCFTZNZCTE-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26576;MM26576;C#CC(=C)CC=C;ZXTFWFFITAECCX-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26577;MM26577;C#CC(=C)CC=O;ZZVJRPHWVCWUFE-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26578;MM26578;C#CC(=C)CC#N;IZOKGRZYPOVWFN-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26579;MM26579;C#CC(=O)CC=C;NPVFYGOKUGGJDH-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26580;MM26580;C#CC(=O)CC=O;WJGOFAAQNVZMIP-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26581;MM26581;C#CC(=O)CC#N;MFXLMMIMIJCRQO-UHFFFAOYSA-N;93.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26582;MM26582;CON=C(C#N)N(C)C;OTRQVXCKARHAQB-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26583;MM26583;C#CC(=C)NC=O;DXANRAKFLJETBJ-UHFFFAOYSA-N;95.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26584;MM26584;C=NN=COC=NOC;QERLLXDVGKYLMG-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26585;MM26585;C#CC(=N)NC=O;WGYKNRPNBRXBOG-UHFFFAOYSA-N;96.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26586;MM26586;C#CC(=O)NC=C;LAYKSUQVSYXHHH-UHFFFAOYSA-N;95.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26587;MM26587;C=CC(C(C)C=O)N(C)C;NLFSBPNZHSGQPU-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26588;MM26588;C#CC(=O)NC=O;IHTNJOSPVFIOHE-UHFFFAOYSA-N;97.07;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26589;MM26589;C#CC(=O)NN=C;ZCNOTCOXBPVFKA-UHFFFAOYSA-N;96.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26590;MM26590;C#CC(=C)OC=C;UFZLJFJBXRWIST-UHFFFAOYSA-N;94.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26591;MM26591;C#CC(=C)OC=O;QSVUFDKBEYVYMB-UHFFFAOYSA-N;96.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26592;MM26592;C#CC(=O)OC=C;VMHRJQYODWYVGL-UHFFFAOYSA-N;96.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26593;MM26593;CN(C=O)C(N)=C(F)C#N;VBRCBFXKDUYWRH-UHFFFAOYSA-N;143.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26594;MM26594;C#CCC(=C)C#C;VAYUHOZXSHMTFV-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hexa-1,5-diyn-3-one;MM02475;C#CCC(=O)C#C;RGCUBKSNKHFJBF-UHFFFAOYSA-N;92.1;0.21;12431744;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26595;MM26595;CC=CC(C)CC;MBNDKEPQUVZHCM-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26596;MM26596;COCC=NOC(=O)C=O;UVIIGYIKSHDGLZ-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26597;MM26597;C=C(C#N)N(C=N)C(C)=O;MDIJAUABHZAASU-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26598;MM26598;N=CN(C=O)C(=N)CF;NENVIWDPZMNTMW-UHFFFAOYSA-N;131.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26599;MM26599;CC=NN(C(C)=O)C(C)=O;AHTUUBAUDUTVRY-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26600;MM26600;CNC=C(C#N)N(C)C=N;CPYWJXJWRIGNLT-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26601;MM26601;N=CNC(=NN)C(=N)NN;WAARAFNCPGLYJM-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26602;MM26602;N#CC(F)=CN(C=N)C=O;HGJBTGDGDKLQLG-UHFFFAOYSA-N;141.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26603;MM26603;COC=NOCC(F)C#N;NMNLJHSQRCJONN-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26604;MM26604;CC=CC(O)CO;WYFGTZBRHKBFBD-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26605;MM26605;COCON=C(N)C=O;QOGZZLSUSCQCNW-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26606;MM26606;CN=C(N=CNN)C(C)F;XMZGMWGACIAKSI-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26607;MM26607;CC(C=NO)CO;AQGFTKCXMALXCL-UHFFFAOYSA-N;103.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26608;MM26608;CCON=CC(=O)N(C)C;VQSFMBLVWJBSRD-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26609;MM26609;CC(C=NO)CF;PBQIYNIIUXOEJQ-UHFFFAOYSA-N;105.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26610;MM26610;C=CCNC=NN;BMCQLNYGUJEMNM-UHFFFAOYSA-N;99.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26611;MM26611;CCC(O)C=NO;QXCLVAUIEHXHAG-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26612;MM26612;OCC(F)C=NO;AWLMWRUMABXMOS-UHFFFAOYSA-N;107.08;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26613;MM26613;CNN=C(C#CCN)OC;PYVQGKJGTJKGJG-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26614;MM26614;ON=CC(F)CF;SHQBMBMVJSLRJN-UHFFFAOYSA-N;109.08;0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26615;MM26615;CNC(CC#N)=C(C)C#N;WIVHNXMJJLKWOV-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26616;MM26616;CC#CC(=N)N(C=N)C=O;NXZDTLUQVDKLDE-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26617;MM26617;C=NN(C=N)C(=O)C#CC;SOOWWMGPVVMSAA-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26618;MM26618;CNN=COC(=N)NC;IERBKUVJJKAHLH-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26619;MM26619;COC(C)C=NO;IGMSFNNURZSPCA-UHFFFAOYSA-N;103.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26620;MM26620;COC(=NC=O)N(C)C;RXVOYROWPUIXGU-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26621;MM26621;CNC(=N)OC=NN;PLLZPZMEVWUCFI-UHFFFAOYSA-N;116.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26622;MM26622;N#CC(OC=CF)C(=N)N;GXMAISYFQAQBDZ-UHFFFAOYSA-N;143.12;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26623;MM26623;C#CC(F)(F)C=NN(C)C;QUMWPWXIKHRXDT-UHFFFAOYSA-N;146.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26624;MM26624;C=COC(C#N)C(=N)N;YMXMQALJDGXDOP-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26625;MM26625;C=C(C)C(=O)N(C=N)OC;DBKHNRIUMBPFGC-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26626;MM26626;CN(C(=N)C#N)C(=N)C#N;KHSPVFNCSGNHMD-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26627;MM26627;C#CC(=O)N(C=NC)N=C;RXJRPIZZOFHOMJ-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26628;MM26628;CC=CC(C)C=O;XPEUZQZUXGOBSP-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26629;MM26629;CC=CC(C)C#N;GUMUOYSOENKSEG-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26630;MM26630;CC(C=O)C=CF;XLFIYKNYSYFQNZ-UHFFFAOYSA-N;102.11;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26631;MM26631;CON=C(C)OCC#N;ZZPJCMGLJWQBIH-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26632;MM26632;CN(C)N=COC(=O)C=O;JOKLUKMHWWHAOC-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26633;MM26633;C=CC(O)C=CF;DVKMTQBZUZIXDE-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26634;MM26634;CC=CC(O)C=O;JJLSZMKALCAFKO-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26635;MM26635;CC=CC(O)C#N;AKXFVHOXDAJSMM-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26636;MM26636;O=CC(O)C=CF;KWKUQIALEULCFO-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15623;MM15623;O=CC(F)C=CF;CZDKNFCMTOOBFT-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26637;MM26637;N#CC(F)C=CF;VSZRVQWLZNOJKC-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26638;MM26638;CC(C=O)C=NO;AYWDJGSHWLBULZ-UHFFFAOYSA-N;101.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26639;MM26639;CN=CN(CC(C)=O)OC;OTOKABYAVQNITN-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26640;MM26640;N#CC(O)C=NO;GMIQVXFXSDIDKE-UHFFFAOYSA-N;100.08;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26641;MM26641;CCN(C)N(C=O)CC#N;FBAIZLQCUHCLAG-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26642;MM26642;O=CC(F)C=NO;FCXQQWJLLULJTC-UHFFFAOYSA-N;105.07;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16482;MM16482;N#CC(F)C=NO;NYTDPCRPKBDFFI-UHFFFAOYSA-N;102.07;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26643;MM26643;C#CC=NN(C=O)CC#C;YQULKJMGZFVBIQ-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26644;MM26644;CN(C=O)C=CF;BDYZMUWJOSBEGC-UHFFFAOYSA-N;103.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26645;MM26645;C#CC(=NOC)OCOC;GMASHIODWYNYGD-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26646;MM26646;C=NN=CC(N)=CC#N;PMWQAXWSKSFWBX-UHFFFAOYSA-N;122.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26647;MM26647;CC=CN(O)C=O;GCZZZXUYJSYRSS-UHFFFAOYSA-N;101.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26648;MM26648;C#CC(=C)OC=NOC;SQWQVRUOQWXNCS-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26649;MM26649;CCNCC(F)C=NN;XXOQDDXEHCGAHZ-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26650;MM26650;C=CC(=NC=O)N(C)OC;LJYCZYDVINKSJD-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26651;MM26651;C=CC(CF)NCC=O;OFOCEKGKMIRPSD-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26652;MM26652;C=CN(O)C=NO;FLSDISPQMDUURR-UHFFFAOYSA-N;102.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26653;MM26653;C#CC(C)=C(C#N)C(=N)N;LIQUYQWOPICQQU-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26654;MM26654;C#CC#CC(=O)ON=C;MKJQAUFQEKDIHA-UHFFFAOYSA-N;121.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26655;MM26655;C=NN(C)C=NO;PQRSBVFKFYSXNU-UHFFFAOYSA-N;101.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26656;MM26656;CN(C)N=C(C=O)CCF;MVQNLNYBBZXHIF-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26657;MM26657;CC(C#N)N(C=O)N(C)C;RIQXYQMJFMKKED-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26658;MM26658;C#CC(C)C=CC;KYLRTXCWDGIKLJ-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26659;MM26659;C=COC=NOCCC#N;WLJBMYHBOAFMAW-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26660;MM26660;C#CC(O)C=CC;SRSOGIWDNSFTEG-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26661;MM26661;C#CC(O)C=CF;MKIWDHXDASSFBQ-UHFFFAOYSA-N;100.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26662;MM26662;C#CC(C)C=NO;PKCFYPGXGXFZHT-UHFFFAOYSA-N;97.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26663;MM26663;C#CC(O)C=NO;ASNPASIXJKQZBI-UHFFFAOYSA-N;99.09;-0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26664;MM26664;CN(C)C(C=O)=CC#N;SGHSLMKEFWGTQM-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26665;MM26665;C#CC(F)C=NO;BEUSSFLWJGYNDP-UHFFFAOYSA-N;101.08;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26666;MM26666;C#CCN(CC#N)CC#N;XXOPTENLCMAWDV-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26667;MM26667;C=C(C=CC)CO;UQTNWQRYTUCBEF-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26668;MM26668;C=C(C=CF)CO;DZKCMLQHLUGQFT-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26669;MM26669;CC=CC(=O)CO;OCTFKHXFMOKGCD-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26670;MM26670;O=C(C=CF)CO;OQDPEPXEIRHZLV-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26671;MM26671;CC=CC(=O)CF;KERCCHMSDMPUHB-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26672;MM26672;NC=CC(=O)CF;HZCKNTWIQOWSBG-UHFFFAOYSA-N;103.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15711;MM15711;O=C(C=CF)CF;IAMHOLCAAKOMOY-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26673;MM26673;C=C(C=NO)CO;IBSRJSIUYNIETA-UHFFFAOYSA-N;101.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26674;MM26674;C=C(C=NO)CF;RMKXTYIWTDQOOW-UHFFFAOYSA-N;103.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26675;MM26675;CCC(=O)C=NO;NDQMJZCPBOBKQB-UHFFFAOYSA-N;101.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26676;MM26676;CC=NOC(=O)OCC#N;DAAGRHIUSAMKFC-UHFFFAOYSA-N;142.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26677;MM26677;C=NNCC#CC(F)CN;AVPUBEPZBGKWDV-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26678;MM26678;CON=CC(=O)C=CN;MVQOXSYWKNBBBG-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26679;MM26679;C#CC(=N)N(C=N)C=O;DBBVHJCGQGSGPO-UHFFFAOYSA-N;123.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26680;MM26680;CN=C(C)NOC=NO;BJLSALOJQNTKDI-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26681;MM26681;COC=NOC(C)=NOC;YSKJGAYVMZLJPU-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26682;MM26682;CON(C=NO)C(=N)N;LZMKYRJWFMUOHE-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26683;MM26683;CNC(=NC=N)OCCF;VVNLBHBLRZVOBX-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26684;MM26684;CNC(=NN)NC(N)=O;SFBYFCCCFDVGAT-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26685;MM26685;CNC(=O)C=CF;BLBPCJFBODXOPT-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26686;MM26686;CC=CC(=O)NO;BZDKOUKSFMIFNT-UHFFFAOYSA-N;101.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26687;MM26687;CNC(=NC=N)OC(C)C;DZKGLIGMJSWGHC-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26688;MM26688;C#CC#CC(O)C#CCN;WJCVCMXAPSWUIS-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26689;MM26689;C=C(C=CC)OC;HIXQUUFDEHMPKZ-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26690;MM26690;COC(=O)C=CN;YHNZLOOOVQYYCP-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26691;MM26691;C#CC=NOC=O;MGXGNKGUKHXRFC-UHFFFAOYSA-N;97.07;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26692;MM26692;C=C(C=NO)OC;UVHUVPAIZXZDTI-UHFFFAOYSA-N;101.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26693;MM26693;NN=CC=NNCC=NO;FRUZGWLKCKESEN-UHFFFAOYSA-N;143.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26694;MM26694;C=CC(=C)C=CC;VHXSBYYYUADKRN-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26695;MM26695;C=C(C#N)C=CC;SBGVBOQUFHAXDA-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26696;MM26696;C=C(C=O)C=CF;AKUCGDXFXBKYOV-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26697;MM26697;C=CC(=O)C=CC;ZMYSGNXLIXWNDV-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26698;MM26698;C=CC(=O)C=CF;HIIOEQJGMVFKRH-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26699;MM26699;CC=CC(=O)C=O;LUTBWLORHDNQRE-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26700;MM26700;CC=CC(=O)C#N;QUQMVLVTMRZEML-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26701;MM26701;NC=CC(=O)C=O;YKPUYVDUXAXSCO-UHFFFAOYSA-N;99.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26702;MM26702;O=CC(=O)C=CF;TYCXHNVIUXRDAT-UHFFFAOYSA-N;102.06;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26703;MM26703;C=C(C=O)C=NO;DLBSDBPAQULZTI-UHFFFAOYSA-N;99.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26704;MM26704;C=C(C#N)C=NO;HCKOKFVKQVKBQB-UHFFFAOYSA-N;96.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26705;MM26705;C=CC(=O)C=NO;KCAOENQZDLHAQK-UHFFFAOYSA-N;99.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26706;MM26706;O=CC(=O)C=NO;BQSLPOMYQLAPSN-UHFFFAOYSA-N;101.06;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26707;MM26707;N#CC(=O)C=NO;JLDYLCZNGGPXRB-UHFFFAOYSA-N;98.06;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26708;MM26708;C#CC(=C)C=CC;RMINGNPAMZSMQR-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26709;MM26709;C#CC(=O)C=CC;UCQNRUHGBZEFQY-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26710;MM26710;C#CC(=O)C=CN;FERNUJKFHXZJAK-UHFFFAOYSA-N;95.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26711;MM26711;C#CC(=O)C=CF;SYXLBCGSAITZAI-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26712;MM26712;CC#CC(C)CC;ABEXZFRJQJSEBW-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26713;MM26713;C=NOC(=O)C(=O)C#N;YTOSJWMZXNCMIE-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26714;MM26714;CC#CC(C)CO;LIGYTNZGVIOQIG-UHFFFAOYSA-N;98.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26715;MM26715;CC#CC(C)CF;QCMQVOLRYGCXDW-UHFFFAOYSA-N;100.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26716;MM26716;C=CC(C#N)(C#N)NC;LZALHKZQMYPXOB-UHFFFAOYSA-N;121.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26717;MM26717;C=CC(C#N)=NOC;XPHUJHYLADSDLM-UHFFFAOYSA-N;110.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26718;MM26718;C=CC#CC(O)C#CCN;QHDXCTXRPMANRF-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26719;MM26719;COC=C(F)C=NOC;RGSJMALHCQEPJJ-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-4-yn-3-ol;MM01739;CC#CC(O)CC;KARLLBDFLHNKBO-UHFFFAOYSA-N;98.15;0.78;140751;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26720;MM26720;CC#CC(O)CO;NJPNCMYEWHFFNV-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26721;MM26721;CC#CC(O)CF;WPBGGTPOKPXGMQ-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26722;MM26722;CC(C#N)ON=C(N)C=O;ZOXYVYRNMAYXKE-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26723;MM26723;CC#CC(F)CO;PLUYPUKNWYQCKV-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26724;MM26724;CN(CCC#N)N=CC=O;QEGNQXFPAUBOFA-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26725;MM26725;CC#CC(C)OC;ZUYCZQWHZPRJMM-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26726;MM26726;C=CC(C)C#CC;LQLXZKARUJFMOJ-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26727;MM26727;CC#CC(C)C=O;DKXMOEGPCSYQFY-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methylpent-3-ynenitrile;MM01840;CC#CC(C)C#N;XKXTWFNZMBKIDP-UHFFFAOYSA-N;93.13;1.17;59648985;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26728;MM26728;C=NN(C=CF)C(=O)C=O;NMRWZILLWUWGND-UHFFFAOYSA-N;144.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26729;MM26729;C=CC(O)C#CC;PVKBTSZHRIDHKM-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26730;MM26730;CC#CC(O)C#N;ZJXQVTVVJYMDKE-UHFFFAOYSA-N;95.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26731;MM26731;C=CC(F)C#CC;YUNXZVVYRKLKAV-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01624;MM01624;CC#CC(F)C=O;YUQWABONADWKQQ-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26732;MM26732;CC#CC(F)C#N;ZKQDQJWWFFHZTG-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26733;MM26733;C#CC(C)C#CC;YFOADTLUODPZOD-UHFFFAOYSA-N;92.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26734;MM26734;C#CC(=O)N(N=C)C(C)=N;MDUNXOUXRGXXNW-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26735;MM26735;C#CC(O)C#CC;VJRNBQYAZIWTQU-UHFFFAOYSA-N;94.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26736;MM26736;C#CC(F)C#CC;BPTUMZONOWFCEP-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26737;MM26737;C=C(C#CC)CC;KNFSUWHQURSFIW-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26738;MM26738;CON=COC=CCC#N;XAOKSJYCHXKIBT-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26739;MM26739;C=C(C#CC)CO;KNSJZUNJRNNVMD-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26740;MM26740;C=C(C#CC)CF;XLMVJQOWKQFANE-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26741;MM26741;CC#CC(=O)CC;BIWUZTZFFUMZIG-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26742;MM26742;CC#CC(=O)CO;OMIZZLBPOUVVGP-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26743;MM26743;CC#CC(=O)CF;MTJGRSAJJMYRRD-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26744;MM26744;COC=NOCC#N;FODBWDGHRXYGFO-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26745;MM26745;CN(OC=O)C(=N)C#N;PKKOHGXAVZAIEA-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26746;MM26746;CN=C(C=NO)NN;TXSWLSCWHLVADJ-UHFFFAOYSA-N;116.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26747;MM26747;CC#CC(=O)NC;NFKDOZIFRBUOCG-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26748;MM26748;CC#CC(=O)NN;KELXPXCISFJXFM-UHFFFAOYSA-N;98.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26749;MM26749;CC#CC(=O)NO;LKAFYQIXCFYCFN-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26750;MM26750;C=C(C#CC)OC;TZDXDICITBJHPH-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26751;MM26751;CC#CC(=O)OC;UJQCANQILFWSDJ-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26752;MM26752;C=CC(=C)C#CC;RNROMEBECBBZQA-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26753;MM26753;C=C(C#CC)C=O;DDLLFSQZORXCIF-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26754;MM26754;C=C(C#N)C#CC;DGYBHEKVUOVDTA-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26755;MM26755;C=CC(=O)C#CC;LJUVIQWMRNEMMQ-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26756;MM26756;CC#CC(=O)C#N;GOWDSDBBZHGCOP-UHFFFAOYSA-N;93.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26757;MM26757;C#CC(=C)C#CC;DXEIOSYXRCDGAT-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26758;MM26758;C#CC(=O)C#CC;NBLNSANNOBWAPI-UHFFFAOYSA-N;92.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26759;MM26759;CC=C(C)CCC;JZMUUSXQSKCZNO-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26760;MM26760;C#CC(=N)N(N=C)C(C)=O;JDBQQXMNNFEYIN-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26761;MM26761;CC(=CF)CCO;WKDCHQHTWXBPPY-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26762;MM26762;C=CC(=O)N(C=N)OC;JFXFGJJHYSGBGM-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26763;MM26763;C=NN(C=O)C(=N)OC;BOBBYZHEZZTTOZ-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26764;MM26764;CN=C(OC)N(C)C=O;FFTXSGCRDDSRKV-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26765;MM26765;C=NN(C=O)C(=O)N(C)C;UGTRYUBXJPAEAW-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26766;MM26766;C#CC(C)ON=C(N)C=O;OATKDVUYOZJHKK-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26767;MM26767;CC#CC(O)C#CCN;AEWDNIQVWWSZIV-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26768;MM26768;C=NN=CN(C=O)N(C)C;KGORCCKJEYGNMB-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26769;MM26769;CC(CCO)=NO;UPHPFAMNXIAUPS-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26770;MM26770;CC=C(C#N)N(C=N)C=O;BCNOPSSDSDRXHM-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26771;MM26771;COCC(C)=NO;UGFAVLZNXICNCF-UHFFFAOYSA-N;103.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26772;MM26772;C#CC(O)C#CCN;ISCXYOLNOAYBQF-UHFFFAOYSA-N;109.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26773;MM26773;CCC(=NOCC#N)OC;ICFMLAWYVGSCAE-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26774;MM26774;C=NN(C=O)C(=N)C#CC;IJEYGDQTYIOGAJ-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26775;MM26775;CC=C(C)CC=O;RUIHHSRBHSWDAL-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26776;MM26776;CC=C(C)CC#N;JZRREUKVKMMRQH-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26777;MM26777;C=CCC(C)=CF;HVRQVGGVZBOTMZ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26778;MM26778;CC(=CF)CC=O;WOTYRWVOGSNXEI-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26779;MM26779;CC=C(F)CC=O;VGUUVLRZPOYDFR-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26780;MM26780;CC=C(F)CC#N;JRDGGCAVWATONO-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15699;MM15699;O=CCC(F)=CF;DMCSGVSQVBZPCV-UHFFFAOYSA-N;106.07;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26781;MM26781;CCON(C=O)C(C)=N;MNMHIICTNMFXBY-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26782;MM26782;CC(CC=O)=NO;UXDSSCRWRAACCH-UHFFFAOYSA-N;101.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26783;MM26783;CC(CC#N)=NO;CXANSWXYVPYTFK-UHFFFAOYSA-N;98.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26784;MM26784;C=NN(C=N)C(=O)OC;UVONBXIPUUROCY-UHFFFAOYSA-N;129.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26785;MM26785;CCON=CON=COC;WMGHLCDGYNFGFX-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26786;MM26786;CC=NN=CON=COC;IXNGLAVZTNBPEJ-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26787;MM26787;C#CC(O)C(=N)N(C)C=N;ROTIMLUHRGAAME-UHFFFAOYSA-N;139.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26788;MM26788;C=CC(O)C(C)NCCF;VHJOOWAXZMHBMI-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26789;MM26789;C=C(C(C)C=O)N(O)C=N;YEJREVANLTZMSH-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26790;MM26790;C=COC(C)=NO;UQVGTVWWHCOZBV-UHFFFAOYSA-N;101.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26791;MM26791;CC(=NO)OC=O;NJMPZSWBGOLTMV-UHFFFAOYSA-N;103.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26792;MM26792;CC(C)(O)C=CN(O)C=N;JCBCVDLOTPHYMJ-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26793;MM26793;C=NOC(C)=NO;WKAIOTYSIDLZRL-UHFFFAOYSA-N;102.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26794;MM26794;C#CCC(C)=CC;TZEVYQSGPRBILK-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26795;MM26795;C#CCC(F)=CC;USXSOYCBZICTNH-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26796;MM26796;CCON=CC=O;IKBYABSLBLDTSS-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26797;MM26797;C#CCC(C)=NO;PGUSMUJAEYQKEC-UHFFFAOYSA-N;97.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26798;MM26798;CON=COCC#N;PWDCBUHMQAHUGE-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26799;MM26799;C=C(C)C#CC(N)C(C)O;LWEGVJVEVZLPAX-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26800;MM26800;C=CCON=CC=O;ALUHCYRODOPPQQ-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26801;MM26801;NC=C(F)C=NO;VGFXTUFMWUHIRJ-UHFFFAOYSA-N;104.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26802;MM26802;CON=C(C)C#CC#N;QQBUHNDZDVUSDX-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26803;MM26803;CON=CC(=O)C(C)=CN;SCSRFIHSNZXUFE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26804;MM26804;CON=CC#CC(=O)C#N;GPWSOBLFDTWPFM-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26805;MM26805;C#CC(C#C)C(=O)CNC;MCUSUBZHALFNJH-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26806;MM26806;CC(C=NO)=NN;QMMJNDMENMADMN-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26807;MM26807;CC(C=NN)=NO;PTGXCOOYKFXXSF-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26808;MM26808;CC(C=NO)=NO;KFTHGQZJWAXFGG-UHFFFAOYSA-N;102.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26809;MM26809;CC(N=CNN)=NNC=O;CVZXAMDORKSLRH-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26810;MM26810;CC#CC(C)=CC;HQUQZQWPQVCXBD-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26811;MM26811;CC#CC(C)=CF;BUBYEMFNNDEMIH-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26812;MM26812;CC#CC(F)=CC;CAYNLUMMEVDCJY-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26813;MM26813;N#CCN(C=O)C=NC=N;KVDDMWSQRDIQJU-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26814;MM26814;CC#CC(C)=NO;WZDFAWXLZTXYHW-UHFFFAOYSA-N;97.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26815;MM26815;CCC=C(C)CC;FHHSSXNRVNXTBG-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26816;MM26816;CC(=NCC#N)N(O)C=N;BYWOCTWRMOJXAQ-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26817;MM26817;CCC(=NOC)OCC#N;OHJUGSANEMSBJS-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26818;MM26818;CCC=C(C)CO;KIKXGIRAIYTCRB-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26819;MM26819;CC(=CCO)CO;FLXLJBCLEUWWCG-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26820;MM26820;CC(=CCF)CO;KOCMKWDVQSISPS-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26821;MM26821;CCC=C(C)CF;IWBWLWCPNMZUGE-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26822;MM26822;C=CC(C#N)N(C=N)C=O;BEGHRKXQKKJMHX-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26823;MM26823;CC(=CCF)CF;PCNSBMORAPDONB-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26824;MM26824;COC(CC=O)C(=N)NO;WQGKGUOUYHCOHP-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26825;MM26825;OCC=C(F)CO;GUNDFETYEWPEMP-UHFFFAOYSA-N;106.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26826;MM26826;OCC(F)=CCF;OVJOWDXLJDRTNQ-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26827;MM26827;C#CC(=NC)N(C=O)N=C;BIBHEJWBZOYIOD-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26828;MM26828;OCC=C(F)CF;NELYGMWPEBPPIO-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26829;MM26829;CCC(C)=COC;BZXUFYSMHAEJAU-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26830;MM26830;C=NN(C=O)C(C)=O;IWCRSRDRRPZAGL-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26831;MM26831;COC=C(C)CO;PUJAWHIUTXGRMG-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26832;MM26832;COC(C)=NOC(C)C#N;ZOPWARGWFZTKAG-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26833;MM26833;COC=C(F)CO;IHXKKUPXISKONB-UHFFFAOYSA-N;106.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26834;MM26834;CCC=C(C)OC;OMWMJRYDMINKPQ-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26835;MM26835;C=NOC(=O)C#CCF;KUTMFXATBPLGMC-UHFFFAOYSA-N;129.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26836;MM26836;COC(C)=CCO;WSALMZTWCQQVEU-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26837;MM26837;COC=C(C)OC;GEUKUKFVTNEWIR-UHFFFAOYSA-N;102.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26838;MM26838;C=C(F)CN(C)N=CC=O;VHNBVHAKYCASLS-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26839;MM26839;C#CC(=N)N(C)C(=O)C#N;GUJLBESGKPQISI-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26840;MM26840;C=NN(C=O)C(=N)C=CF;HBVRVPHYGYQAKG-UHFFFAOYSA-N;143.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26841;MM26841;CCN=C(C=CN)NO;ALKXHWLCRQFOBL-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26842;MM26842;NN=CC(F)(F)CF;UIJRHIMVNIJXOE-UHFFFAOYSA-N;126.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26843;MM26843;C#CCC(=O)C#CCNC;CUSFEFQHJKQOJG-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26844;MM26844;C=CC(=O)N(C=O)N=C;QJKGZGARDFAXFE-UHFFFAOYSA-N;126.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26845;MM26845;C=CC=C(C)CC;AGDLFOKHPDHOPH-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26846;MM26846;CCC(C)=CC#N;ZRCWASMASZPIKZ-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26847;MM26847;C=CC(C#N)NC(C)C#N;GHNWRFYHHVUIIZ-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26848;MM26848;C=CC=C(C)CO;NZJRNQDNEIHNQL-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26849;MM26849;CC(=CC#N)CO;GHPGITQMELQBMK-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26850;MM26850;C=CC=C(C)CF;DZJQUABQGGEGQY-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26851;MM26851;CC(=CC=O)CF;VSMVBFNZXAGPNR-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26852;MM26852;CC(=CC#N)CF;JVZZXSYXNUFCRY-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26853;MM26853;CCC(N)=CC=O;JFMPEOPTVNOECF-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26854;MM26854;CNC=C(C#N)OCOC;ZTACGZZIPJIVFH-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26855;MM26855;CC=NN(C=O)C=NC=O;QGHYHDXFVXCLDP-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26856;MM26856;O=CC=C(F)CO;UPFNTRKPFKAQHM-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26857;MM26857;N#CC=C(F)CO;ORJUYLHNCLSGBU-UHFFFAOYSA-N;101.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26858;MM26858;CNC(C)=CC=O;LIHPIEFYQBTVLJ-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26859;MM26859;C#CC(=O)ON=C(C)C;PGXAWWOZXRCQSC-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26860;MM26860;CON=CC(=O)C=C(C)N;JWTJDKSQQOYHJV-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26861;MM26861;N#CC=C(N)C(F)F;WPYLBRIUTAKUJK-UHFFFAOYSA-N;118.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26862;MM26862;C=CC=C(C)OC;DWTKODSOCPQXOP-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26863;MM26863;COC(C)=CC#N;QPXWIWRNSRBTHA-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26864;MM26864;C#CC(C)=NN(C)C=O;UDKHDSUHRNLTGE-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26865;MM26865;CN(C)C(N)=C(F)C#N;AFMYVRURHZZXEW-UHFFFAOYSA-N;129.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26866;MM26866;C=NN=C(C)CO;XCHYJLCWQPAFOZ-UHFFFAOYSA-N;100.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26867;MM26867;CC(C#N)C=NOC=O;BICZIQGZSYYUPR-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26868;MM26868;C#CC=C(C)CC;KBXAGHYNLXURCP-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26869;MM26869;CN=CN(C=O)CC#N;ZFSAUEFKHFZRRI-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26870;MM26870;C#CC=C(C)CO;CXJQXXUKVILMQO-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26871;MM26871;C#CC=C(C)CF;QGRJQUDCGOHTEE-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26872;MM26872;CN(C)N(C=O)C=CC#N;FFKCMIWLMXMTJO-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26873;MM26873;C#CC=C(F)CO;TUQPCTVBIZTVDD-UHFFFAOYSA-N;100.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26874;MM26874;C#CC=C(C)OC;CZOHHWBSCMLGPD-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26875;MM26875;C=CC(C)=CCC;CBMWBIMXKNMQBL-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26876;MM26876;C#CC(C#C)=NOCC#N;FMEWJIWJLNHVDC-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26877;MM26877;C=CC(C)=CCO;MOBKGOLFIBXIOP-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26878;MM26878;CCC=C(C)C=O;IDEYZABHVQLHAF-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26879;MM26879;CCC=C(C)C#N;MLPZAALXVQOBFB-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26880;MM26880;CC(C=O)=CCO;GCHJBJOOADXJFT-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26881;MM26881;CC(C#N)=CCO;YGBHRJCYEZIPDN-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26882;MM26882;CC(C=O)=CCF;BNOYDNGIAZXWLV-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26883;MM26883;C=NN(C=N)C(=O)C=CF;YSGUVSJCWYHWBM-UHFFFAOYSA-N;143.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26884;MM26884;C=CC(F)=CCO;DMNWZDAYEITJTF-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26885;MM26885;O=CC(F)=CCO;YHJRNHGNDJYOOM-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26886;MM26886;N#CC(F)=CCO;SUQFPLUCANXZCF-UHFFFAOYSA-N;101.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26887;MM26887;CNC=C(C)C=O;YLWYIKLACUBHLC-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26888;MM26888;CC(C)=NN(C)C(=O)C#N;FEWIPXJCDOJDFM-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26889;MM26889;C=CC(C)=COC;OCOMLLBTVKVLIO-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26890;MM26890;COC=C(C)C=O;BAPBBQSTCGOMED-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26891;MM26891;COC=C(C)C#N;HLNBUNYQJSGUFH-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26892;MM26892;C=CC(F)=COC;MBSJPQJHIJDEPV-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26893;MM26893;COC=C(F)C=O;BHIUMQFKTHVRPC-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26894;MM26894;COC=C(F)C#N;YVEFELDYPHFMHX-UHFFFAOYSA-N;101.08;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26895;MM26895;C=NN=C(C=O)C=NOC;AXGDHMSITFFSFE-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26896;MM26896;C#CC(=O)N(OC)C(C)=N;XGKQNOASNATDAD-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26897;MM26897;C=CC=C(C)C=C;NEVFABBVOIJXHE-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26898;MM26898;C=CC(C)=CC#N;CXXUTKDBGLGQFK-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26899;MM26899;C=CC=C(C)C=O;GPOYSKDINJWXAG-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26900;MM26900;C=CC=C(C)C#N;LBESHIGMYRZHFH-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26901;MM26901;CC(C=O)=CC=O;USBJWIKCHJDWPF-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26902;MM26902;CC(C#N)=CC=O;ZTMJNCOUHAPCPL-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26903;MM26903;CC(C=O)=CC#N;XCOOSSPISDTMHL-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26904;MM26904;CC(C#N)=CC#N;RXQDGMZYQDCNNV-UHFFFAOYSA-N;92.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26905;MM26905;C=CC(N)=CC=O;AGHQCNHCPZJTOC-UHFFFAOYSA-N;97.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26906;MM26906;C#CC(=NN)C(F)=COC;HNIFCATZXVBZGL-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26907;MM26907;NC(C=O)=CC=O;DGRUHEFWGHRUAS-UHFFFAOYSA-N;99.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26908;MM26908;N#CC(N)=CC=O;QIBVGCLDHXPACE-UHFFFAOYSA-N;96.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26909;MM26909;C=C(C)CON=C(N)C=O;MBJRFIKYNPBQNE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26910;MM26910;CON=C(C)OC=CC=O;NERCWDROMQUMEW-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26911;MM26911;C=CC=C(F)C=C;NGCHQYFXADRTDA-UHFFFAOYSA-N;98.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26912;MM26912;C=CC(F)=CC#N;AZDORWZRHUDSEC-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26913;MM26913;C=CC=C(F)C=O;YAFAURWPSTZSCR-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26914;MM26914;O=CC=C(F)C=O;FUWKOIYWWIKJLX-UHFFFAOYSA-N;102.06;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26915;MM26915;N#CC=C(F)C=O;JZJWAGBZXSIIMJ-UHFFFAOYSA-N;99.06;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26916;MM26916;C#CC(C#CC#N)=NNC;ZGYKPXHXQMHUTM-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26917;MM26917;C=NN=C(C)C#N;PCHIXEHBWUDHPH-UHFFFAOYSA-N;95.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26918;MM26918;C#CC=C(C)C=C;ZPTAPNAAHILLJG-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26919;MM26919;C#CC=C(C)C=O;FWZBTQUHXAGEKQ-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26920;MM26920;C#CC=C(C)C#N;MPXQPLFDAWRNIT-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26921;MM26921;C#CC=C(F)C=C;KDGUXCKFTSHOCJ-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26922;MM26922;C#CC=C(F)C=O;IUFSYHOEVMXINA-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26923;MM26923;C#CC=C(F)C#N;XRGNBURPBAKTFQ-UHFFFAOYSA-N;95.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26924;MM26924;C#CC(C)=CCC;KYOGSVAQRNIVQL-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26925;MM26925;C#CC(C)=CCO;ZSJHASYJQIRSLE-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26926;MM26926;C#CC(=CF)N(C=N)C=O;YCQKUPNHVNEPPW-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26927;MM26927;C#CC(F)=CCO;PBCGDJPJURIKNO-UHFFFAOYSA-N;100.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26928;MM26928;C#CC(C)=COC;AHFQBSLCLSJZRS-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26929;MM26929;C#CC(F)=COC;LBSUHYHNPBXQGV-UHFFFAOYSA-N;100.09;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26930;MM26930;CN(C=O)C=NN(C)C;HLAIVQROUMWYCP-UHFFFAOYSA-N;129.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26931;MM26931;C=NOC(=O)OCC#N;AGYNLRNXGARQFH-UHFFFAOYSA-N;128.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26932;MM26932;C#CC(C)=CC=C;QRZDVCITFOCOHT-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26933;MM26933;C#CC(C)=CC#N;OMVDOWHCVBVFMC-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26934;MM26934;C#CC(N)=CC=O;QDDWHFOGZONWRS-UHFFFAOYSA-N;95.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26935;MM26935;C=C(C#N)N(C=N)C=O;SFMNXCYRPNEUEC-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26936;MM26936;C#CC(F)=CC#N;NQEJITKSNPNGTJ-UHFFFAOYSA-N;95.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26937;MM26937;CC(C#N)=C(C=O)N(C)C;FAIGDSMZUMALIN-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26938;MM26938;C#CC=C(C)C#C;DQAWKFGTESTWAJ-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26939;MM26939;C#CC=C(F)C#C;OWMYAYBOCMYCFO-UHFFFAOYSA-N;94.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26940;MM26940;CCC(C)C(C)C;WGECXQBGLLYSFP-UHFFFAOYSA-N;100.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26941;MM26941;C=C(C=O)OC=NOC;CGOFGKCTFNMQBQ-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26942;MM26942;C=C(CCO)N(C=N)OC;CMCGDNFCVJTZLD-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26943;MM26943;CC(C)C(C)CF;RQZSTHDLPZGOMA-UHFFFAOYSA-N;104.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26944;MM26944;COCC(=NOC)OC;ONQZHMYIMHDZMI-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26945;MM26945;CCC(=NCC#N)N(C)O;PDLYCIFAJXPZLW-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26946;MM26946;CC(=O)N(C=O)N(C)C;ZEYLUZZTSFMPKD-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26947;MM26947;CNC(=NCCCO)OC;QOVVYFFDNYLSKA-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26948;MM26948;CC(O)C(C)CO;GNBPEYCZELNJMS-UHFFFAOYSA-N;104.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26949;MM26949;CCCON=C(N)C=O;RDXRHPMDEAOIEE-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26950;MM26950;CC(F)C(C)CF;HMIVYDBVQRKLEG-UHFFFAOYSA-N;108.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26951;MM26951;CCN(C)N(C=O)C=O;BZDASQGVCSNZPQ-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26952;MM26952;CC(C)CON=C(N)C=O;FIFBMIXBGZRWOV-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26953;MM26953;C=NN(C=O)C=C(F)C=O;WPPOYFIIPOGVPG-UHFFFAOYSA-N;144.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26954;MM26954;CN(O)C(=N)NN=CC#N;GCAJNBAOBUAWTP-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26955;MM26955;CNC=C(C#N)OCC#N;OYYFWFFFTQODSW-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26956;MM26956;CCC(=O)N(C=O)N(C)C;OZQHJKAWKHURNX-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26957;MM26957;CN=C(NCCCO)OC;QOVVYFFDNYLSKA-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26958;MM26958;CCON=C(N)C=O;BASIHMONTOORSN-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26959;MM26959;CNC(C)(C=O)CCCO;QULGWFBGIVIONJ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26960;MM26960;CC(C)C(O)CO;HJJZIMFAIMUSBW-UHFFFAOYSA-N;104.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26961;MM26961;N=C(N)NN=COC=NN;NLWSPPALDHKCRP-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26962;MM26962;CCC(O)C(C)O;XLMFDCKSFJWJTP-UHFFFAOYSA-N;104.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26963;MM26963;CC(F)C(O)CO;JXKCZGVXKWNORJ-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26964;MM26964;CON=CC(C)(F)C#N;SUALUMAIQQHDTL-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26965;MM26965;COCC(C)=NOC=O;OMORWONWBOLDQU-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26966;MM26966;CON=COC(C)=NOC;CAADKZXAMKNCLD-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26967;MM26967;CC(O)C(F)CF;COTKJBBEPDZWHX-UHFFFAOYSA-N;110.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26968;MM26968;C=CC#CC=NN(C)C=O;CHPCMJLKTVUUNW-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26969;MM26969;CC(F)C(F)CO;WBJCACDPQHRHDO-UHFFFAOYSA-N;110.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26970;MM26970;C=NN(C(C)=O)C(C)=O;MQIXNXRNAKDZGH-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26971;MM26971;CON=COC=NOC;WZQFLRHDHLBLAS-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26972;MM26972;CN(O)C(CO)=NNC=N;RXODSGWGMWRZBK-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26973;MM26973;C=COC=NOCOC;FGSGBVMDZGDOIY-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26974;MM26974;C=C(C=O)OC(C#N)=CN;BXLWKIHDFPSQAE-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26975;MM26975;COC(C)C(C)C;JPUDLQKLSRSRGN-UHFFFAOYSA-N;102.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26976;MM26976;C#CC(=O)N(C=C)N=CC;OPOCJNRADHSVOA-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26977;MM26977;COC(C)C(C)O;HJHFJCUIVDTESF-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26978;MM26978;COC(=CF)C(N)=CC#N;QMULKHYCWLQPHR-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26979;MM26979;CC=NN(C=N)C(=N)NN;IIYHBWFVLHABBW-UHFFFAOYSA-N;142.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26980;MM26980;CON=C(N)C=O;JJAHAJKWTXWRSC-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26981;MM26981;C#CC1NC1C#N;RPOJLVOGNKQVEP-UHFFFAOYSA-N;92.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26982;MM26982;CC(F)(F)C(N)=CC#N;NRNBCHGAYAUQGO-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26983;MM26983;CC(O)C(C)C=O;ZURZPPULRFXVLF-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26984;MM26984;CC(O)C(C)C#N;ISMAITBIVCNVDT-UHFFFAOYSA-N;99.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26985;MM26985;CC(F)C(C)C=O;ZBISOYSYEHUFMG-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26986;MM26986;CN=CN(C=O)C=NC;BEWSRLCYSLNUKK-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26987;MM26987;C=NOC(=O)C(F)=CC#N;XJKYHTGGIZOUMR-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26988;MM26988;CNCC(=O)C(C)CC=O;RVKFTOLAQVXWCI-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26989;MM26989;CC(C)C(O)C=O;VKYKDJZVZBURQF-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26990;MM26990;CC(C)C(O)C#N;YRBPUNHOIVAUFA-UHFFFAOYSA-N;99.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26991;MM26991;C=NN=C(NCC)N(C)N;RRJWUIQZYKJZQT-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26992;MM26992;C=CC(O)C(C)O;NVEPXBVOEVVLHX-UHFFFAOYSA-N;102.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26993;MM26993;CC(O)C(O)C#N;AGTKNLMFKMWCMD-UHFFFAOYSA-N;101.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26994;MM26994;CC(F)C(O)C=O;OHNCNHUIRDREEJ-UHFFFAOYSA-N;106.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26995;MM26995;C=CC(O)C(F)F;FSVDALTVDDWHNW-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26996;MM26996;O=CC(O)C(F)F;YKMPHLJNCDGPAU-UHFFFAOYSA-N;110.06;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26997;MM26997;N#CC(O)C(F)F;VIRGVFHFIYCLJC-UHFFFAOYSA-N;107.06;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26998;MM26998;CC(C)C(F)C#N;CDBWUVJGUYXULN-UHFFFAOYSA-N;101.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM26999;MM26999;C#CC(F)(C=O)C=NOC;HDXVSXHZZAFULH-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27000;MM27000;CC(O)C(F)C#N;PMYWUWMWCVCVJQ-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,3,3-trifluoropropanal;MM01626;O=CC(F)C(F)F;GZQNBSRKMRMCMQ-UHFFFAOYSA-N;112.05;0.79;22049856;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27001;MM27001;C#CC(=NOC)OC;RCRJQQQSGQSTEC-UHFFFAOYSA-N;113.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27002;MM27002;C#CCN(O)C=NC;KEEGZFTWGPZCRE-UHFFFAOYSA-N;112.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27003;MM27003;COC=NN=CC=C(N)N;SVLKXHITPSCHCW-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27004;MM27004;N=CN(C=O)C=C(F)C=O;CXGVWJFJQRYMNQ-UHFFFAOYSA-N;144.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27005;MM27005;C=CC(=O)N(C=O)N(C)C;LGFIGMCWEKGKKD-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27006;MM27006;C#CC(C)=NN(C)C(C)=O;DTLAVRKSERVRPZ-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27007;MM27007;C#CC=NOC(=O)COC;WMJMGLHOBRBHIG-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27008;MM27008;CC(C)N(O)C=O;AYSHUYGTQOWCEQ-UHFFFAOYSA-N;103.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27009;MM27009;C=NN=C(C=CN)COC;NDFJRNACQTUDIX-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27010;MM27010;CC=C(C=O)N(C=N)C=O;BIZGQYIHOVVIKK-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27011;MM27011;CC=NN=C(NC)N(C)N;FNSPZDBVOYUFLO-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27012;MM27012;N#CC(=CN)OC=CC=O;XSEDJRKIMGGQDM-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27013;MM27013;N#CCNCC(F)(F)F;COWDLHURJMOZKJ-UHFFFAOYSA-N;138.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27014;MM27014;C#CC(N)C(=NNC)NO;VCRCUPCGFRRHCJ-UHFFFAOYSA-N;142.16;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27015;MM27015;C#CC(O)C(C)C;UTIFIONYBLSHIL-UHFFFAOYSA-N;98.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27016;MM27016;C#CC(O)C(C)F;RQSFNUGFBHMGRK-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27017;MM27017;C#CC(O)C(F)F;HIZSFCLDCNRTLD-UHFFFAOYSA-N;106.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27018;MM27018;COC(=NN(C)C)OC;IMAKZYBLXVAAQW-UHFFFAOYSA-N;132.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27019;MM27019;C#CC(F)C(C)O;YSKSGAIBCNSLPC-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27020;MM27020;CNN=CC(F)=CC#N;CRUDABUZXPXXBN-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27021;MM27021;CC(=O)C(C)CO;VVSRECWZBBJOTG-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27022;MM27022;CC(=O)C(C)CF;IIWWXONWYBIHFH-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27023;MM27023;COC=NOC(C)C#N;BFMZINWNKHPBDC-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27024;MM27024;CC(CO)C(=O)O;DBXBTMSZEOQQDU-UHFFFAOYSA-N;104.11;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-fluoro-2-methylpropanoic Acid";MM03712;CC(CF)C(=O)O;IGWDEZHXQDTZQV-UHFFFAOYSA-N;106.1;0.68;53915657;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27025;MM27025;C=NN(C=O)C(=O)CC;AIYZPZPRWQILLQ-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27026;MM27026;CC=NN(C=O)C=NOC;DEZUSHHTFXZNGV-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27027;MM27027;CCON=C(COC)OC;WYUBWMIAUXNONM-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27028;MM27028;C=NN(C(=N)C=O)C(C)=O;JLVMTRDSRDJWOZ-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27029;MM27029;C#CCOCC=NOC=O;VQQAANFAQADRQK-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27030;MM27030;NCC(F)C#CCCCO;GZMPSYBMHUSBAN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27031;MM27031;C=C(C)C(O)CO;HBHXLSPUXXXICF-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27032;MM27032;CCC(O)C(C)=O;HDKKRASBPHFULQ-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27033;MM27033;CN(O)C=NC=NNC=N;ZUGJWBDTKLNGSJ-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27034;MM27034;CCOC=NOCC#N;MJZJDMJTFZGGMZ-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27035;MM27035;C=C(C)C(F)CF;VVPRAGMODJTHHA-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27036;MM27036;CC(=O)C(F)CF;CVYLTEHFWHEDDT-UHFFFAOYSA-N;108.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27037;MM27037;CC(O)CC#CC(F)CN;WVWZANJSLQXVGN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27038;MM27038;CCC(F)C(N)=O;MBSCQUPUVUXCQM-UHFFFAOYSA-N;105.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27039;MM27039;NC(=O)C(F)CO;WVBASYOTYFNFJX-UHFFFAOYSA-N;107.08;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-fluorobutanoic Acid";MM03540;CCC(F)C(=O)O;GCSPSGQVZXMPKU-UHFFFAOYSA-N;106.1;0.82;9898;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27040;MM27040;O=C(O)C(F)CF;NUBAOKTWWIMWEK-UHFFFAOYSA-N;110.06;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27041;MM27041;CCC(C)=NN(C=N)C=O;JCCDUYWYMODMCE-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27042;MM27042;CNC=C(C#N)OCCF;CTVQZQAQTSTHBM-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27043;MM27043;COC(C#N)C(=N)NC=N;QHPPGEUOYNJZLG-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27044;MM27044;CON=CN(C=O)N(C)C;PTBOEOSYEQODIH-UHFFFAOYSA-N;145.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27045;MM27045;COC(C)C(C)=O;DLPGPGQJLPODMY-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27046;MM27046;C#CC=NOC(C)=O;MBBYVXHVEVPHBM-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27047;MM27047;COC(C)C(N)=O;WOGXHNJBKGZMHV-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27048;MM27048;COC(C)C(=O)O;ICPWFHKNYYRBSZ-UHFFFAOYSA-N;104.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27049;MM27049;C#CC(=O)ON=CC;KSKJQBWQYPPHQV-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27050;MM27050;CC=NN(C=O)C=CC#N;XKKHQIFMHXZPOQ-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27051;MM27051;C=NN=CN(C=O)N=CC;JIESCYDFOHUNTC-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27052;MM27052;COC=NOC(CF)OC;BSWODNSGMKMRQC-UHFFFAOYSA-N;151.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27053;MM27053;C#CCN=CN(C=C)C=O;QVMUDWLZEPTYAW-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27054;MM27054;CNC(CC(C)F)C(C)=O;XSTSJYZAJFXIFL-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27055;MM27055;C#CCNC=C(C#C)C#N;BPLMCRPZFAJUPQ-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27056;MM27056;C#CC=NN(C)C=O;BGTVIOONLSDNFW-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27057;MM27057;C#CC(C=CCC=O)NC;UAPMGYOCUBGCMV-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27058;MM27058;CON=COC(C)C#N;WKYNUSZUMUGXPA-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27059;MM27059;CON(C)C(C)=O;OYVXVLSZQHSNDK-UHFFFAOYSA-N;103.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27060;MM27060;C=NNC(CCN)=NNC;PMICTMUVEJZUCD-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27061;MM27061;CON(C)C(N)=O;OBGFMRSXJROQDT-UHFFFAOYSA-N;104.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27062;MM27062;C=CC(C)C(=C)C;SOKHGJZTJQMHEW-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27063;MM27063;C=C(C)C(C)C=O;FULBADAVZOAOHS-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27064;MM27064;C=CC(C)C(C)=O;QSFGGYJTGKYFML-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methyl-3-oxobutanal;MM02840;CC(=O)C(C)C=O;KNTLTMLEQPLVDA-UHFFFAOYSA-N;100.12;0.41;11051586;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methyl-3-oxobutanenitrile;MM02293;CC(=O)C(C)C#N;AMQCWPDDXYOEER-UHFFFAOYSA-N;97.12;0.74;536905;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27065;MM27065;CCON=COCC#N;RSUXUKJQRVXENL-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27066;MM27066;C#CC(=C)C(=NN)N(C)C;NAKYXSUEXHQSMW-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27067;MM27067;C=CC(C)C(N)=O;JDBWESWWTKTKOL-UHFFFAOYSA-N;99.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27068;MM27068;CC(C#N)C(N)=O;DASYJICSSLWYAG-UHFFFAOYSA-N;98.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27069;MM27069;C=C(F)C(C)C=O;VXOFCKYPFMULDB-UHFFFAOYSA-N;102.11;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27070;MM27070;COCC(C)=NOC(C)=O;OXNVZZQXKHMECA-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27071;MM27071;C=C(C)C(O)C=O;MXORORWCJYYUMM-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27072;MM27072;C=C(C)C(O)C#N;WKRMIWMWBWPVQH-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27073;MM27073;C=CC(O)C(C)=O;ZFTHRGXKSJKKCF-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27074;MM27074;CC(=O)C(O)C=O;GTYVZUSWKGYETP-UHFFFAOYSA-N;102.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27075;MM27075;CC(=O)C(O)C#N;RZOAIDOOUFOUJW-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27076;MM27076;C=CCC(=NC=N)NC=N;KMFCGYBEMGBOCY-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27077;MM27077;N#CC(O)C(N)=O;RIGVGJXYLJTYJC-UHFFFAOYSA-N;100.08;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27078;MM27078;C=CC(O)C(=O)O;VBWPSWWDYVWZKA-UHFFFAOYSA-N;102.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27079;MM27079;C=C(F)C(O)C#N;JMTVDRLGHDLKBM-UHFFFAOYSA-N;101.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15622;MM15622;C=C(C)C(F)C=O;ZXFSAXJHPADWJV-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27080;MM27080;C=C(C)C(F)C#N;UEHZHXQPUSOOEZ-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Fluoro-3-oxobutanal;MM02087;CC(=O)C(F)C=O;QNOFTPXCBZCDSX-UHFFFAOYSA-N;104.08;0.11;12039955;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoro-3-oxobutanenitrile;MM02199;CC(=O)C(F)C#N;KGNDXBMHOHZLKW-UHFFFAOYSA-N;101.08;0.44;118554431;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27081;MM27081;C#CC(=NN)C(=N)N;WXTHVOUPDQRFJI-UHFFFAOYSA-N;110.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27082;MM27082;CCNC=C(F)C(=N)NC;NXJURUXWZXDXCH-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27083;MM27083;NC(=O)C(F)C=O;WQOPLXYJDVVYPR-UHFFFAOYSA-N;105.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27084;MM27084;N#CC(F)C(N)=O;IHGVSCXGMYCPBE-UHFFFAOYSA-N;102.07;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-fluorobut-3-enoic Acid";MM03491;C=CC(F)C(=O)O;KJQHEUGKHYHLRZ-UHFFFAOYSA-N;104.08;0.6;53998208;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27085;MM27085;C=CCC(=O)N(C=O)N=C;PXQDDNFKTYVYEG-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27086;MM27086;COC=NOCOC=O;LJZATAMKESLNNG-UHFFFAOYSA-N;133.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27087;MM27087;C=CN(C)C(C)=O;PNLUGRYDUHRLOF-UHFFFAOYSA-N;99.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27088;MM27088;CC(=O)N(C)C=O;ODGJIXXVIQDADK-UHFFFAOYSA-N;101.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27089;MM27089;C#CC(N)=C(C#N)OC=C;CHNFWHXFIPSZHZ-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27090;MM27090;CNC=C(C#N)OC;IEVXJSBCCFQFPW-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27091;MM27091;C=CN(C)C(N)=O;SOORGFFTXFSKKU-UHFFFAOYSA-N;100.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27092;MM27092;NN=CNO;PVXHGQWBGLTVEX-UHFFFAOYSA-N;75.07;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27093;MM27093;CN(C=O)C(N)=O;AFRPFEOAPGUHDX-UHFFFAOYSA-N;102.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27094;MM27094;CC(CF)=NOCC#N;LEWVBPMKSXHJRH-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27095;MM27095;CN=CN(C=O)C=CF;DWPABMUZKRBEBC-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27096;MM27096;CCOC(=NN(C)C)OC;SZOBJCXZPSSLLA-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27097;MM27097;CON=C(CCC#N)OC;ONBCRACRCQTPCM-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27098;MM27098;CC(C#N)=C(N)CC#N;ABKSIXYKJANYBS-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27099;MM27099;CN(C)N=CC(F)=CC#N;DGGRVEMUMYIBGC-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27100;MM27100;C=C(C)OC(C#N)=C(N)N;NAIWFOUWBVKWAO-UHFFFAOYSA-N;139.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27101;MM27101;CCON=C(C)C#CC#N;NFCOBYGKICHHKM-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27102;MM27102;COC=NN(C)C(=N)C=O;LHQNXHIEXGNDFA-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27103;MM27103;C=C(C)N(O)C=O;GNWVDTUGOMZYBS-UHFFFAOYSA-N;101.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27104;MM27104;CNC(C)C(F)C=NN;VFYBNDWVKUTSKT-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27105;MM27105;C=CN(O)C(C)=O;VZIXJHXEPAYQMR-UHFFFAOYSA-N;101.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27106;MM27106;CC(C)C(C#CCN)=NO;CTOIHCHMDZUNGF-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27107;MM27107;CN=C(N)C(F)C=O;FPAVVIRQALBVME-UHFFFAOYSA-N;118.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27108;MM27108;C=CC(=N)NC(=N)C=NO;LVCWSFONUOTUFS-UHFFFAOYSA-N;140.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27109;MM27109;C=CN(O)C(N)=O;OLGRHUYOZJKXFC-UHFFFAOYSA-N;102.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27110;MM27110;N=CN(O)C(N)=O;YDGVBTIBMSLALI-UHFFFAOYSA-N;103.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27111;MM27111;CC#CC(O)C(=NO)NN;DPQYMDKEMVEWJO-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;"0, +1";"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27112;MM27112;COC(=N)N(C=O)C(C)C;HCMVJGDKOAWORX-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27113;MM27113;C=COC(C#N)=C(N)N;IZXOPHQETIKAKI-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27114;MM27114;N#CCC(C#N)=NNC=N;FIPCPHJPSGRVTK-UHFFFAOYSA-N;135.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27115;MM27115;C#CC(C)C(=C)C;YSZBRLMRZZALEU-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27116;MM27116;C#CC(C)C(C)=O;KWIXQKAKNGPKOO-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylbut-3-ynoic Acid";MM03651;C#CC(C)C(=O)O;XYSJPUFCXCNEJO-UHFFFAOYSA-N;98.1;0.34;22269904;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27117;MM27117;C#CCN(N=C)C(=O)C#N;VCIOFHUITZAKJO-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27118;MM27118;C#CC(O)C(=C)C;CBYMOUVOSIZYAK-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27119;MM27119;C#CC(O)C(C)=O;RTNUNTHSDIIPRC-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27120;MM27120;C#CC(O)C(N)=O;VAUKNWFCNXXUKP-UHFFFAOYSA-N;99.09;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-fluoropent-4-yn-2-one;MM02214;C#CC(F)C(C)=O;DGPPWKDKPFASSV-UHFFFAOYSA-N;100.09;0.55;130188358;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27121;MM27121;N#CC(O)C(=N)NC=N;QAOMIBLPJMJLEO-UHFFFAOYSA-N;126.12;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27122;MM27122;C#CC(F)C(N)=O;CLZQTXQMTMRNLZ-UHFFFAOYSA-N;101.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16295;MM16295;C#CC(F)C(=O)O;LUAXDEFKXNOXFQ-UHFFFAOYSA-N;102.06;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27123;MM27123;C=NN(C=NC)C(=O)C=O;BKDIMTPSFZIUOT-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27124;MM27124;C=C(F)C(C)(O)C#CCN;HYNKJAOCRNHPDH-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27125;MM27125;C#CC(C#C)ON=COC;WPIFRXGZFSHUPR-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27126;MM27126;C=C(CO)C(C)O;BAASKFPCFXDLJB-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27127;MM27127;C=C(CF)C(C)O;VVHYFVFDRPBTTA-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27128;MM27128;C=C(CC)C(C)F;FLMPHOWRBOSHSR-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27129;MM27129;CC#CC(N)=C(C#N)OC;QPNHSGLTFUULQO-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27130;MM27130;C=C(CO)C(C)F;BIVMZFHMBXIPEQ-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27131;MM27131;C#CC=NOC(=O)N(C)C;SAJLJAPTUHUMRP-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27132;MM27132;C=C(CO)C(F)F;BYVJSTHXBQZESX-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27133;MM27133;CCC(=O)C(C)C;HYTRYEXINDDXJK-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27134;MM27134;CC(C)C(=O)CO;NBEGXSQMVJTIAR-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27135;MM27135;CC(C)C(=O)CF;JRNBHHFRTJEARZ-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27136;MM27136;CCC(=O)C(C)O;QMXCHEVUAIPIRM-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27137;MM27137;CC(F)C(=O)CO;ANKGGRNDLQAGPE-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27138;MM27138;O=C(CO)C(F)F;YPZONKQAWZHXLY-UHFFFAOYSA-N;110.06;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27139;MM27139;CON=CC(C#N)=CC#N;ICGAJEASSKQMGI-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27140;MM27140;C#CC(C)(O)C(=N)NC=N;FLVFYOBJWGTPBA-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27141;MM27141;CCN(C(=N)OC)C(C)=O;MUOSLCDINXTKRT-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27142;MM27142;CON=COC(CF)OC;SHVKFCCHTHMGQB-UHFFFAOYSA-N;151.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27143;MM27143;C=CCON=COCC#N;LGOPVSGYGTWOAX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27144;MM27144;CCN(N)C(=NO)NC=N;JUJSTFCLCPVVED-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27145;MM27145;N=C(CO)NC(N)=NO;WFOSDDMAEHKQJH-UHFFFAOYSA-N;132.12;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27146;MM27146;CC(C)C(=O)NO;WLZCAHBBQPTPRQ-UHFFFAOYSA-N;103.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27147;MM27147;CNC(=O)C(C)O;BNWQAQKMWJQTQU-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27148;MM27148;CNC(=O)C(F)F;YOSAXWNVAYRRRW-UHFFFAOYSA-N;109.08;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27149;MM27149;NNC(=O)C(F)F;QCPHJKOQDCQCIW-UHFFFAOYSA-N;110.06;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27150;MM27150;O=C(NO)C(F)F;JBZISTRJDZGUDN-UHFFFAOYSA-N;111.05;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27151;MM27151;C#CC(=O)ON=C;CDMXKIFNYZQOCI-UHFFFAOYSA-N;97.07;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27152;MM27152;C=C(OC)C(C)O;GLTCLVCBOXBGJM-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27153;MM27153;COC(=O)C(C)F;MHAIQPNJLRLFLO-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27154;MM27154;CC=NN(C)C(=O)C#N;JVMHZVFKSJFSOG-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27155;MM27155;CC#CC(O)C(C)(N)CF;CSENDWRDZAUJRN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27156;MM27156;C#CC(C=NN)=NNC=N;LUTFSADMFDZKPY-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27157;MM27157;NCC#CC(F)=C(F)CO;WZDBJXZTTIATQZ-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27158;MM27158;C=CC(=NOC=O)OC;ZEIYZCMVGZYPFX-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27159;MM27159;CN(C)C(=O)CO;JNQVLKWNKVMFBN-UHFFFAOYSA-N;103.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27160;MM27160;CN(C)C(=O)CF;ATRYDVULSWIWKS-UHFFFAOYSA-N;105.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27161;MM27161;CN(O)C(=O)CO;RAYIIHYFPBIMJA-UHFFFAOYSA-N;105.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27162;MM27162;CN(O)C(=O)CF;HSWISLHEGFEGEO-UHFFFAOYSA-N;107.08;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27163;MM27163;CC(=O)OC(C)=NN(C)C;KJMCOENWDBGYQT-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27164;MM27164;CN=CN(C=O)N=C(C)C;GVFHNKHSGPNASL-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27165;MM27165;CCC=CN(O)C(=N)NO;UAENMFFCRWHLSL-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27166;MM27166;C=NN=CN(C)C=NN=C;ARMQMSJNRVWVGB-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27167;MM27167;C=C(F)C#CC(C)(N)CO;BRTGOMLWAOKJCR-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27168;MM27168;CNC(=O)N(C)C;COSWCAGTKRUTQV-UHFFFAOYSA-N;102.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27169;MM27169;CC(C)N(O)C=N;JVXSPIBBGVMODO-UHFFFAOYSA-N;102.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27170;MM27170;CN(N)C(=O)NO;GIHFASQRMLJKOM-UHFFFAOYSA-N;105.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27171;MM27171;CNC(=O)N(C)O;LWEVFYZPTXVAAK-UHFFFAOYSA-N;104.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27172;MM27172;CN(O)C(=O)NN;MNXWNYJJLUDBIR-UHFFFAOYSA-N;105.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27173;MM27173;CN(O)C(=O)NO;OUERRKXIFAHSBY-UHFFFAOYSA-N;106.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27174;MM27174;CON=COC=CC=O;HZNPYKKVENSCSO-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27175;MM27175;C#CC=NN(C)C(=N)C#N;UHFMSRZPFFLJHZ-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27176;MM27176;COC(=O)N(C)C;SELYJABLPLKXOY-UHFFFAOYSA-N;103.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27177;MM27177;COC(C)=NOCCC#N;QOIJDROMEHROMN-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27178;MM27178;COC(=O)N(C)O;AAXGTLIZISKFPF-UHFFFAOYSA-N;105.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27179;MM27179;C=CC(=C)C(C)C;MRBYTOUNXWKILZ-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27180;MM27180;C=C(C=O)C(C)C;QOUVUDUTJPGJNG-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27181;MM27181;C=C(C#N)C(C)C;CCMZKOAOMQSOQA-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27182;MM27182;C=C(C=O)C(C)O;SPFQEHDGAPOYRW-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27183;MM27183;C=C(C=O)C(C)F;JLCVQLSQIHEDTP-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27184;MM27184;C=C(C#N)C(F)F;OHJXKDBCONOHMS-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27185;MM27185;C=CC(=O)C(C)C;SNOYUTZWILESAI-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27186;MM27186;CC(C)C(=O)C=O;FTDZDHIBENIBKZ-UHFFFAOYSA-N;100.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27187;MM27187;CC(C)C(=O)C#N;GZTZLYWUGFZVSM-UHFFFAOYSA-N;97.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27188;MM27188;C=CC(=O)C(C)O;NFMJLRWCAGAETO-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27189;MM27189;CC(O)C(=O)C=O;AWMGPEHDHJUMEN-UHFFFAOYSA-N;102.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27190;MM27190;CC(O)C(=O)C#N;RDRRUSVDYIIEPD-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27191;MM27191;C=CC(=O)C(C)F;FAMVIFKVIOYTAM-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02149;MM02149;CC(F)C(=O)C=O;QMQDDGMUFCFMBO-UHFFFAOYSA-N;104.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02126;MM02126;CC(F)C(=O)C#N;YQZYEFDVGKEMFV-UHFFFAOYSA-N;101.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15966;MM15966;O=CC(=O)C(F)F;LFQGGLARHKGBKC-UHFFFAOYSA-N;108.04;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2-difluoroacetyl Cyanide";MM02825;N#CC(=O)C(F)F;SPLAPEGZHCZETI-UHFFFAOYSA-N;105.04;0.34;87319184;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27192;MM27192;N#CC=C(N)CC#N;PDQJTCJPTMCZDF-UHFFFAOYSA-N;107.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27193;MM27193;CC#CC=NN(C)C=O;PDFGSXBCNFWHOA-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27194;MM27194;C=CNC(=NN)OCC;PZYLSNLYVOROSP-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27195;MM27195;CCNC=C(C#N)OC;DWBZUMJHMZQDQA-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27196;MM27196;CN(C)C(=O)C=O;HVUXFKKSBYDBDQ-UHFFFAOYSA-N;101.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27197;MM27197;CN(C)C(=O)C#N;DNRRZLQWEDPRRM-UHFFFAOYSA-N;98.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27198;MM27198;CN(O)C(=O)C=O;ZJFYPUXAULOOIB-UHFFFAOYSA-N;103.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27199;MM27199;CN(O)C(=O)C#N;YDMPLIPDMASORV-UHFFFAOYSA-N;100.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27200;MM27200;C#CC(=C)C(C)C;VSHPLBMJQPORKH-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27201;MM27201;N#CC=CNCCC#N;NCRBCUWCFKLBSA-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27202;MM27202;C#CC(=O)C(C)C;KLQCAVMGXXCQHN-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27203;MM27203;C#CC(=O)C(C)O;WXGJKQNHKKTGAK-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27204;MM27204;C#CC(=O)C(C)F;UIVKVGGCYKNXQV-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,1-difluorobut-3-yn-2-one;MM02288;C#CC(=O)C(F)F;SQKNRTAXICODBF-UHFFFAOYSA-N;104.06;0.45;112574206;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27205;MM27205;CNC(=C(F)C#N)N(C)C;GZFYEUUXTIFWDC-UHFFFAOYSA-N;143.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27206;MM27206;CNC=C(C#N)CF;ATYIUIDSTZPNMI-UHFFFAOYSA-N;114.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27207;MM27207;C#CCONC(=N)N(C)O;MNOKFULVAIQGFY-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27208;MM27208;C#CC(CF)=NOC;WTDIROILSLTVDE-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27209;MM27209;C=NN(CC#N)C(=O)OC;QTZBURBVUAKRSX-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27210;MM27210;C#CC(=O)N(C)O;QJLNVIJHIPYVRL-UHFFFAOYSA-N;99.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27211;MM27211;COCOC(C#N)=C(N)N;JMRBLGUELLOVSE-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27212;MM27212;C=C(C)C(=C)CF;XHMHOVXMWRMNHX-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27213;MM27213;C=C(CC)C(C)=O;UOTSYAILGSUTAC-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27214;MM27214;C=C(CO)C(C)=O;KRBFQUPTNQVDDS-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27215;MM27215;C=C(CF)C(C)=O;FVJCJFASTBMIBP-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27216;MM27216;CNN=C(NO)N(C)N;OIQAFFMURUCSPK-UHFFFAOYSA-N;133.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27217;MM27217;C#CC(C#C)OC=NOC;CIVAHPCBCRHWSP-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27218;MM27218;C#CCON(C)C(=N)NO;KWOMGXYCAWEJRQ-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27219;MM27219;C=C(CO)C(=O)O;AAMTXHVZOHPPQR-UHFFFAOYSA-N;102.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27220;MM27220;C#CCOC=NOCOC;IVEHOECMDABPEE-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27221;MM27221;C=C(F)C(=C)CO;HHEKBSGGEOHDEN-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27222;MM27222;C=C(C)C(=O)CO;LSMLKPXBSFFBNR-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27223;MM27223;C=C(C)C(=O)CF;IEQQSDQRZOLUHV-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27224;MM27224;CCC(=O)C(C)=O;TZMFJUDUGYTVRY-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27225;MM27225;CC(=O)C(=O)CO;NXIVQSJQXMAXJR-UHFFFAOYSA-N;102.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-fluorobutane-2,3-dione;MM02138;CC(=O)C(=O)CF;KZHLCIBQIPATRU-UHFFFAOYSA-N;104.08;0.11;58114480;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27226;MM27226;C#CCN(C)N=CC=O;IXVHPEJSOSGEEX-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27227;MM27227;C#CC(=CF)NC(=N)NO;YDTSIPLKSVQDAR-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27228;MM27228;CON=C(NO)C(C)(C)N;WEJUOCVOPBWEHR-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27229;MM27229;C=C(F)C(=O)CC;JUFCYVSKUBDDNQ-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27230;MM27230;C=C(F)C(=O)CO;KVNLCQCLQZDJAM-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27231;MM27231;CN(C=O)N=CCC#N;UQBKENVUBNMMMR-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27232;MM27232;CCON=C(NO)C(=N)N;KSGWCVRDAPXTCN-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27233;MM27233;C=C(C=O)C(C)=NOC=O;IQVZYYFPAQBJGO-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27234;MM27234;CON=C(C=O)C=CC=O;RHICMOVJJKDZTQ-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27235;MM27235;CCC(O)CNCCF;XLVCALHEUSWDSD-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27236;MM27236;C#CC=NOC(=O)ON=C;RQUIOYSWFXUTBS-UHFFFAOYSA-N;140.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27237;MM27237;C=C(C#N)OC(C#N)=CN;FSAJLNDSJOWGLC-UHFFFAOYSA-N;135.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27238;MM27238;C=C(C)C(=O)NO;IIXYEVUNJFXWEB-UHFFFAOYSA-N;101.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27239;MM27239;CNN=CN(C)C(C)C#N;GLUZHZBIGVNBBB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27240;MM27240;CCOC=NNC(=N)NN;MJQXKEGBPHOMOW-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27241;MM27241;CNC(=O)C(N)=O;WPRKVIPHGOHZAL-UHFFFAOYSA-N;102.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27242;MM27242;NNC(=O)C(N)=O;MOKRDWKSHLLYKM-UHFFFAOYSA-N;103.08;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27243;MM27243;NC(=O)C(=O)NO;PNWXEBJOZHJHAE-UHFFFAOYSA-N;104.07;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27244;MM27244;CNC(=O)C(=O)O;FMNLVGDFBCBTJZ-UHFFFAOYSA-N;103.08;-1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27245;MM27245;NNC(=O)C(=O)O;UXWAJSLYHVAVKJ-UHFFFAOYSA-N;104.07;-1.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27246;MM27246;O=C(O)C(=O)NO;CSXHUONYHRDYGM-UHFFFAOYSA-N;105.05;-1.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27247;MM27247;C=C(F)C(=O)NC;BFCWTISNZDUGEM-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27248;MM27248;C=C(F)C(=O)NO;VMQYJTZYKKSJSN-UHFFFAOYSA-N;105.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27249;MM27249;C=C(OC)C(C)=O;IEVNXOYVXVIFCZ-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27250;MM27250;C#CC(F)=CN(C=N)C=O;DLQLTTLKKQDWFU-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27251;MM27251;C=C(OC)C(N)=O;QKGQABOXTAPRLB-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methoxyprop-2-enoic Acid";MM03510;C=C(OC)C(=O)O;LQAQMOIBXDELJX-UHFFFAOYSA-N;102.09;0.23;11007830;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27252;MM27252;COC(=O)C(C)=O;CWKLZLBVOJRSOM-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27253;MM27253;N#CCCNN(C=O)C=O;NVGPSGCNUNRLRV-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27254;MM27254;COC(=O)C(N)=O;AEVHVVDLIHWAGR-UHFFFAOYSA-N;103.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27255;MM27255;COC(=O)C(=O)O;CPKISUMKCULUNR-UHFFFAOYSA-N;104.06;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27256;MM27256;C=C(C)C(=C)C=O;MAJQELPFCFJINF-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27257;MM27257;C=C(C)C(=C)C#N;GXEYFMTVASHGDM-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27258;MM27258;C=CC(=C)C(C)=O;NAIVNFKASRRQMZ-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27259;MM27259;C=C(C=O)C(C)=O;YPKDWAUPSJLTHG-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27260;MM27260;C=C(C#N)C(C)=O;KRTNCALJETZRGN-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27261;MM27261;O=CCC#CCNCCO;MDSDICGWSSQPEY-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27262;MM27262;C=C(C=O)C(N)=O;WHEJMOHWGTYLSV-UHFFFAOYSA-N;99.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27263;MM27263;C=C(C#N)C(N)=O;HGBFVOSZYVRIHY-UHFFFAOYSA-N;96.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-formylprop-2-enoic Acid";MM03509;C=C(C=O)C(=O)O;YXFPBALCEOJUME-UHFFFAOYSA-N;100.07;-0.17;18179204;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27264;MM27264;C=C(F)C(=C)C=O;PNIZJMKQSLHLAU-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27265;MM27265;C=CC(=O)C(=C)C;XVTXLKJBAYGTJS-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27266;MM27266;C=C(C)C(=O)C=O;FQFOZLSNGJJYFH-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27267;MM27267;C=C(C)C(=O)C#N;MBEQREFLONMSSX-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27268;MM27268;C=CC(=O)C(C)=O;DIZBESKOLJEDAW-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,3-dioxobutanal;MM02804;CC(=O)C(=O)C=O;LVZOZHOAAHWEOQ-UHFFFAOYSA-N;100.07;-0.66;46204396;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxopropanoyl Cyanide";MM02803;CC(=O)C(=O)C#N;RTQDOJVXCBXSJQ-UHFFFAOYSA-N;97.07;-0.33;18719616;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27269;MM27269;N#CC(=O)C(N)=O;OOUQCLZTBGEQTD-UHFFFAOYSA-N;98.06;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxobut-3-enoic Acid";MM03362;C=CC(=O)C(=O)O;DGUBLKUCHAAUFT-UHFFFAOYSA-N;100.07;-0.17;162804;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27270;MM27270;O=CC(=O)C(=O)O;JSCNFEFJALUGBY-UHFFFAOYSA-N;102.05;-1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27271;MM27271;N#CC(=O)C(=O)O;VQILPSQGEPGVQZ-UHFFFAOYSA-N;99.05;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27272;MM27272;C=CC(=O)C(=C)F;PCFVXIQONMOMPP-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27273;MM27273;C=C(F)C(=O)C=O;PLLLWCJIGDZDAB-UHFFFAOYSA-N;102.06;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27274;MM27274;C#CC(=C)C(=C)C;SGZYKWMKYAVPDQ-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27275;MM27275;C#CC=NOC=NOC=O;WSXFJLZVOXPUCZ-UHFFFAOYSA-N;140.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27276;MM27276;C#CC(=C)C(N)=O;HIBIBDDNORONGX-UHFFFAOYSA-N;95.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27277;MM27277;C#CC(=O)C(=C)C;VOJBAMUHWPJLOQ-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27278;MM27278;C=CC(N=CNN)=NOC;HQEKJTDUGSTFGU-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27279;MM27279;C#CC(=O)C(N)=O;CVZMEMPETPDIIK-UHFFFAOYSA-N;97.07;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27280;MM27280;C#CC(=O)C(=O)O;IWQJHJSBXNPYPP-UHFFFAOYSA-N;98.06;-0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27281;MM27281;C#CC(=NOCC)OC;KMMPEHIMIOKHHD-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27282;MM27282;CC(=CF)C(C)O;QYISAWOZFXPTGY-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27283;MM27283;CC(=CF)C(C)F;AUBALMPMLGBCHT-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27284;MM27284;C#CC(C=O)=C(N)N(C)C;VFBUVIJMFLRXGH-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-(3-methylbutan-2-ylidene)hydroxylamine;MM01810;CC(=NO)C(C)C;HZCRFUPEBRNAAI-UHFFFAOYSA-N;101.15;1.49;286827;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27285;MM27285;CNCC#CC(=O)CCO;DIHZCAQHGZVYMX-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27286;MM27286;CC(=NO)C(C)O;LJOBNZKCJNRMFE-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27287;MM27287;C#CC(=C)OC(C#N)=CN;YJBSMVZWUOGVAK-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27288;MM27288;C#CC(N)=C(C#N)OCC;LDVXFQUYHOXFPY-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27289;MM27289;CC#CCCNCC(N)=O;NTCCCBDBKRBRMR-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27290;MM27290;C=NN=C(NC)N(N)CC;JJDUDJMQCBCVRA-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27291;MM27291;CC(=NO)N(C)O;JOCZJZIMEISARE-UHFFFAOYSA-N;104.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27292;MM27292;CC=C(C)C(C)=O;ZAMCMCQRTZKGDX-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27293;MM27293;CC(=O)C(C)=CN;ZFZLYDFIEGUSMZ-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27294;MM27294;CC(=O)C(C)=CF;JQTTUYRMYULJOS-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27295;MM27295;N#CCOC(C#N)=C(N)N;VJWQTUXELJFHBF-UHFFFAOYSA-N;138.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27296;MM27296;C#CCOC(C#N)=C(N)N;IVFRNNDTUWYXDI-UHFFFAOYSA-N;137.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27297;MM27297;CN=CN=CNCC#N;AMPPUKCQATXFTD-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylbut-2-enoic Acid";MM01606;CC=C(C)C(=O)O;UIERETOOQGIECD-UHFFFAOYSA-N;100.12;1.04;6656;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27298;MM27298;CC(=CN)C(=O)O;SQNWFKZOFAOCHM-UHFFFAOYSA-N;101.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27299;MM27299;CC=C(F)C(C)=O;GOSACQOPOHLSDV-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27300;MM27300;CC(=O)C(F)=CN;NXYRQECXNYHVST-UHFFFAOYSA-N;103.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27301;MM27301;C#CC(=NOC)OCC;XIKSUJXLQICPBB-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27302;MM27302;N=CN=CN(C=N)C=O;AABKAVRRJKKVJM-UHFFFAOYSA-N;126.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27303;MM27303;NC=C(F)C(N)=O;NGTAFHCGGAKFLR-UHFFFAOYSA-N;104.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27304;MM27304;NC(=O)C(F)=CF;ZVZARSYSHMPSAH-UHFFFAOYSA-N;107.06;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27305;MM27305;NC=C(F)C(=O)O;UJCYIQDCUVFMQJ-UHFFFAOYSA-N;105.07;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27306;MM27306;CN(C)C(N)=CC(=O)C=O;IAHNGFVGPVSZHD-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27307;MM27307;CC(=O)C(C)=NO;FSEUPUDHEBLWJY-UHFFFAOYSA-N;101.11;0.43;6409633;;;CHEMBL1255578;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27308;MM27308;CC(=NO)C(N)=O;QLHQOHBPJUVLJW-UHFFFAOYSA-N;102.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27309;MM27309;CC(=NN)C(=O)O;KHIQJCVGWNEQMI-UHFFFAOYSA-N;102.09;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27310;MM27310;CC(=NO)C(=O)O;MVGBKLTYYAYYGY-UHFFFAOYSA-N;103.08;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27311;MM27311;C=NOC(=O)OC(C)C#N;KTVPSIDMHXCXPY-UHFFFAOYSA-N;142.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27312;MM27312;C=NN(C=O)CC#CC#N;GILDNNPOHQKGIY-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27313;MM27313;CCC(C)=C(C)F;FAPZMYKAFKXBIY-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27314;MM27314;C=CN(C=O)C(=N)OCC;MTWJLZSEYNRAKK-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27315;MM27315;C=NOC(=O)C(C)(F)F;OQXKSGNNBBNQNL-UHFFFAOYSA-N;137.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27316;MM27316;C#CC=NN(C)C(C)=O;HGEAZGMENGCYTA-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27317;MM27317;CC(C)=C(F)CO;JPTSQZOXYWIQIW-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27318;MM27318;CC(F)=C(F)CO;XYWOWNUXAMPLGN-UHFFFAOYSA-N;108.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27319;MM27319;OCC(F)=C(F)F;PRBCSYHVGZDFRJ-UHFFFAOYSA-N;112.05;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27320;MM27320;COC(C)=C(C)C;QFVDGBFHOZBSII-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27321;MM27321;COC(C)=C(C)F;GLTLSYLHDHPNEV-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27322;MM27322;COC(C)=C(F)F;VDMBRTVLZLDDHW-UHFFFAOYSA-N;108.09;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27323;MM27323;C#CC=NN=CC=CN;IRBNBDAJVQTLFM-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27324;MM27324;CC(F)=C(C)C=O;BYGHTZVRABHABH-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27325;MM27325;CC(C)OC(C#N)=C(N)N;RZTJHETXSVKCPM-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27326;MM27326;C#CCN(OC)C(=N)C=O;NRVBMXMKURDSTD-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27327;MM27327;CC(F)=C(F)C#N;XBDNBWGOJWFCIS-UHFFFAOYSA-N;103.07;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27328;MM27328;NC(N)=C(F)C=O;UYFRXDQVVBYKNP-UHFFFAOYSA-N;104.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27329;MM27329;N#CCC(C#N)=C(N)CF;JMXCEOOTZHCDKX-UHFFFAOYSA-N;139.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27330;MM27330;C#CC(C)=C(C)C;SKZTTWPZMVNJQI-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27331;MM27331;C#CC(C)=C(C)F;CWIVMYUWBKLVDU-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27332;MM27332;C#CC(C)=C(F)F;KUIOANBKNXJQGY-UHFFFAOYSA-N;102.08;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27333;MM27333;CCC1(C)CC1C;WXMIMRAMKPIMFS-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27334;MM27334;C=COC(N)=C(C#N)OC;ZYEJKBHTPBEVRK-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27335;MM27335;CC(C#N)C(N)=CC#N;GNMWOQBIZYVFKJ-UHFFFAOYSA-N;121.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27336;MM27336;CCOC(C#N)=C(N)N;OMVITLDTIBQVOS-UHFFFAOYSA-N;127.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27337;MM27337;C#CC(=N)NC(=NN)NN;RKQICNGCKSBTIV-UHFFFAOYSA-N;140.15;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27338;MM27338;C#CC(=O)N(C=C)N=C;DEPATDLNXGVYKO-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27339;MM27339;C=C(C#N)OC=NN(C)C;AIZZHAUEEWAPBX-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27340;MM27340;CNC(=N)C(F)C#CCN;GBZUWUUQRDTLCX-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27341;MM27341;CC(C)ON=COCC#N;SAJNFTXFSSKNBE-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27342;MM27342;CNN=CC(F)=COC=O;NRZOFZFVCUTZNJ-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27343;MM27343;CCCOC(C#N)=C(N)N;VRKQBPWJJINRSD-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27344;MM27344;CCC(=O)C(CCF)NC;ITSSFBDWQSSSJR-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27345;MM27345;C#CC(=NN)C(=NC)NN;SGBSZYUHWGRXRY-UHFFFAOYSA-N;139.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27346;MM27346;CC1CC1(O)CF;BYPAEKVIFCMTAQ-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27347;MM27347;N#CC(F)=C(C#N)NC=N;YOQFVYTYPNPMOS-UHFFFAOYSA-N;138.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27348;MM27348;CCC1(O)CC1O;ZRTJQHVFANTOEY-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27349;MM27349;C=CNC=NNCC(=C)C;BQUFSCLNFCXZQH-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27350;MM27350;CCC1(F)CC1C;KLTIDWJNRVZNBR-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27351;MM27351;N#CC(OCCF)=C(N)N;CDYKVRPQOIINQF-UHFFFAOYSA-N;145.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27352;MM27352;CC1CC1(F)CO;UMDPHASYCCSJIF-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27353;MM27353;C=NN(C=O)C=CF;YCCPXQHXIFKHSK-UHFFFAOYSA-N;116.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27354;MM27354;COC(C#N)=C(N)N;VZXOPOYQAHHBDY-UHFFFAOYSA-N;113.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27355;MM27355;CCC1(F)CC1O;QYSQWBMFMABIBQ-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27356;MM27356;OCC1(F)CC1O;YZPHRWTWQZYMKI-UHFFFAOYSA-N;106.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27357;MM27357;C=NOC(=O)C(C)(F)C#N;LYNWXIBLLVXERS-UHFFFAOYSA-N;144.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27358;MM27358;COC1(C)CC1C;AYVYFDIEAQPODA-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27359;MM27359;CC(F)=COC(C#N)=CN;TZVPXLJULSWVJL-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27360;MM27360;COC=NN(C)C=NC=O;YLSOLLPSSNYZCY-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27361;MM27361;COC=CC(=NN)N(C)C;OUQDPVQPMWKTTF-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27362;MM27362;CON=CN(CC#N)OC;UNTWMEVWOLGLKC-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27363;MM27363;CCC1(C)OC1C;ZISUZIXPPXXNPC-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27364;MM27364;COC=COC(C#N)=CN;ZRQPIKFAPIYKSR-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27365;MM27365;N#CC=COC(C#N)=CN;PSROWVSQONTYNH-UHFFFAOYSA-N;135.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27366;MM27366;C#CC=COC(C#N)=CN;PQFNOMJKWCMQDR-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27367;MM27367;CC(C)C1(C)CC1;QEJFJGSJIQQWRC-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27368;MM27368;C=COC(C#N)=CN;NPJAAQNWBXXZLV-UHFFFAOYSA-N;110.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27369;MM27369;C=CCOC(=NC=N)NC;GAEANSXNYBFTDL-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27370;MM27370;C=NOC(=O)OCCC#N;AUVAXVHEIPVQGM-UHFFFAOYSA-N;142.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27371;MM27371;C#CC(C)N(C)N=CC=O;HCSJPJUWELYVPJ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27372;MM27372;C=CC(=NN)N(C=N)CC;ZKODHDMQSKZJKD-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27373;MM27373;CNN=CN=CN(C)C;SFLPXSWWQUDUDT-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27374;MM27374;CC(C)C1(F)CC1;ZSYJGJHBCNGQJL-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27375;MM27375;CCON=C(C=O)N(C)C;JQUDXVYUGXRVBN-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27376;MM27376;CN(C)N=COC=O;IORZMILYKBYWEH-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27377;MM27377;C#CCN(CC)N=CC=O;FRBZDSRFUXOUDE-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27378;MM27378;CCCON=COCC#N;NIFZWZFZYNELID-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27379;MM27379;CC(C)C1(C)CO1;JATXAMXFNMUGBL-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27380;MM27380;N=c1[nH]oc(=O)[nH]1;NSJWCGRUQOIQQH-UHFFFAOYSA-N;101.07;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27381;MM27381;N=c1[nH]c(=O)[nH]o1;PKTPIMKQCMJMAF-UHFFFAOYSA-N;101.07;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3";;;;;;;-1.53;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27382;MM27382;O=c1[nH]oc(=O)[nH]1;XDENVSFWQSKKLZ-UHFFFAOYSA-N;102.05;-1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27383;MM27383;N=c1[nH]oc(=O)o1;TYJGXRZRVFNOTA-UHFFFAOYSA-N;102.05;-0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27384;MM27384;O=c1[nH]oc(=O)o1;CPQQUYSEQWCDHQ-UHFFFAOYSA-N;103.03;-1.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27385;MM27385;Cc1coc(=O)o1;HXXOPVULXOEHTK-UHFFFAOYSA-N;100.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27386;MM27386;Nc1coc(=O)o1;HQMRBLXDYUXROM-UHFFFAOYSA-N;101.06;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27387;MM27387;O=c1occ(O)o1;FJAQSRXUPLALIU-UHFFFAOYSA-N;102.05;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27388;MM27388;O=c1occ(F)o1;ZQCQTPBVJCWETB-UHFFFAOYSA-N;104.04;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27389;MM27389;Cc1noc(=O)o1;BQZIJUVIVNXFIC-UHFFFAOYSA-N;101.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27390;MM27390;C#CC(=O)CC(C#C)NC;JMVNEUICBJLLSX-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27391;MM27391;O=c1onc(O)o1;CPQQUYSEQWCDHQ-UHFFFAOYSA-N;103.03;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27392;MM27392;O=c1onc(F)o1;AXIBBXQLNNAINL-UHFFFAOYSA-N;105.02;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27393;MM27393;N=c1nc(F)o[nH]1;ONHVNMFGRPMJJK-UHFFFAOYSA-N;103.06;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27394;MM27394;O=c1nc(F)o[nH]1;ITZYLXBFZSFWSF-UHFFFAOYSA-N;104.04;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27395;MM27395;C=NN(C)C(=O)C#N;YPGGTJWMRLTWGT-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27396;MM27396;CC1CC(=O)C1F;ZGSSEPXSAIFCSK-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27397;MM27397;CC1CC1CC=O;DOVCULRHFVSCAL-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27398;MM27398;CC1CC1CC#N;JUKZYMBBRKAZTE-UHFFFAOYSA-N;95.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27399;MM27399;C#CCC(=NOC)OC;REQIITDCDQTIOH-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27400;MM27400;C=NOC(=O)ON=CC=O;RYGOSJNJTKWGMA-UHFFFAOYSA-N;144.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27401;MM27401;C#CCC1CC1C;MBVJNGZXKQJUSV-UHFFFAOYSA-N;94.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27402;MM27402;C=CN(C)C=NC(=O)C#N;ZQEJAEGVMRWPEL-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27403;MM27403;C=NN(C)C(=O)C#CC=O;NVADOGBCIFSQBA-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27404;MM27404;C=C(OC)N(C=O)C=NC;SQHQLEPVCKRYGS-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27405;MM27405;CCC(CC)CC;AORMDLNPRGXHHL-UHFFFAOYSA-N;100.21;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27406;MM27406;CN(C=O)C=NC(=N)C#N;KFVXHPPAGGRHAQ-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27407;MM27407;CNCC=O;KZMQZFPRPILIHO-UHFFFAOYSA-N;73.1;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27408;MM27408;CCC(CC)CF;ZNPWCZAOCBFFKI-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27409;MM27409;CC=NN(C=N)C=O;TXVDWFPQAUXVPU-UHFFFAOYSA-N;113.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27410;MM27410;N#CC(=O)C(=N)NC=N;BBNIMXGRJOXAJW-UHFFFAOYSA-N;124.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27411;MM27411;C=NN(C=O)C=NOC;SBMZSEGSORVTLK-UHFFFAOYSA-N;129.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27412;MM27412;CCC(CO)CO;HYFFNAVAMIJUIP-UHFFFAOYSA-N;104.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27413;MM27413;CCC(CO)CF;DEZUZHYKVLASTJ-UHFFFAOYSA-N;106.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27414;MM27414;COC(C)OC(C#N)=CN;LWKGIQLZKRNDTK-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27415;MM27415;C#CC(C=NO)=NNC=N;XCWOSJSOZORMCG-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27416;MM27416;C=C(C#N)C=NOCC#N;VCLCGMVDKBVYMG-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27417;MM27417;CCC(C#CCN)=NO;NWQKNYZUBWWPTR-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27418;MM27418;C=CN(C=O)N=CCCF;FHKNNRBNPDXNQC-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27419;MM27419;OCC(CO)CO;SFRDXVJWXWOTEW-UHFFFAOYSA-N;106.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27420;MM27420;OCC(CO)CF;AITPRZPYIYKXPZ-UHFFFAOYSA-N;108.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27421;MM27421;OCC(CF)CF;DRCOTWUXAOGHMU-UHFFFAOYSA-N;110.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27422;MM27422;COC(C)C=NOC=O;QOHJGWQVYGWWSX-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27423;MM27423;COCOC(C#N)=CN;OSUMEWPARCWGFN-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27424;MM27424;CC(F)(F)C(O)C#CCN;HDAOWQPRHBQZGA-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27425;MM27425;COC=NOCCC#N;YSYDMBMJQREFHU-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27426;MM27426;CON=COCOC(C)=O;FNGLKKMQMHQHRR-UHFFFAOYSA-N;147.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27427;MM27427;NCC#CC(O)C(F)F;LBMMDQLHJWISQV-UHFFFAOYSA-N;135.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27428;MM27428;C=CCN(CC#N)CC#N;ZVJOYOMFDBLYNG-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27429;MM27429;CCNC(=NN)NC(N)=O;RZYGRXAVBFNOSB-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27430;MM27430;C=NOC(C#N)(C#N)C#N;YIMUSUPUJSHPSU-UHFFFAOYSA-N;134.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27431;MM27431;CCC(CC)OC;CQRFEDVNTJTKFU-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27432;MM27432;C#CC(C)N=CN(C)C=O;QDEVZIQDODOKTG-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27433;MM27433;CCC(CO)OC;IPUDBCXGMBSQGH-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27434;MM27434;C#CCN(C=O)C=NCC;DNSTYRDDMGWZQO-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27435;MM27435;CNNC(=NO)OC;JZOQQEIKVOODJT-UHFFFAOYSA-N;119.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27436;MM27436;C=COCOC(C#N)=CN;KOJBIFYLXRUXKD-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27437;MM27437;COC(CO)CO;RKOGJKGQMPZCGG-UHFFFAOYSA-N;106.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27438;MM27438;COC(CF)CF;PTPANVOOYVGNEX-UHFFFAOYSA-N;110.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27439;MM27439;CCC(OC)OC;UIOXNNAWANDJCZ-UHFFFAOYSA-N;104.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27440;MM27440;COC(=O)ON=C(C)C;LHBIAVBWZRAJBW-UHFFFAOYSA-N;131.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27441;MM27441;COC(CO)OC;NYPNCQTUZYWFGG-UHFFFAOYSA-N;106.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27442;MM27442;COC(CF)OC;ABEHLNQFEQKKEI-UHFFFAOYSA-N;108.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27443;MM27443;C=C(C=O)C=NOC=O;MDVIZSDIGUIHAC-UHFFFAOYSA-N;127.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27444;MM27444;C=CC(CC)CC;YPVPQMCSLFDIKA-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27445;MM27445;CCC(C=O)CC;UNNGUFMVYQJGTD-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27446;MM27446;CCC(C#N)CC;QARLTYSAFQGMMB-UHFFFAOYSA-N;97.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27447;MM27447;C=NN=CC=C(N)OC;XGKZNTZLGCKDAN-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27448;MM27448;CN(C)CCNC(=O)C#N;TULLOOZSBKLXQI-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27449;MM27449;CCC(C=O)CO;XIKVGYYSAJEFFR-UHFFFAOYSA-N;102.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27450;MM27450;CCC(C#N)CO;NBUCOPILRSUCHR-UHFFFAOYSA-N;99.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27451;MM27451;C=CC(CC)CF;JXZUBWUWXTYHDM-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27452;MM27452;CCC(C=O)CF;UAWWAEUEEPREPA-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27453;MM27453;CCC(C#N)CF;NYDGTMGUMDGTKO-UHFFFAOYSA-N;101.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27454;MM27454;C=NN=CN(C=O)N=C;DFAAUDMOLHMEAK-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27455;MM27455;CN=C(C(C)=NO)N(C)N;FILJIBYDZOFIPO-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27456;MM27456;CON=COCCC#N;SPYNZEMRGRAEST-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27457;MM27457;C=CC(CO)CO;MFTUNRMUCZGYSG-UHFFFAOYSA-N;102.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27458;MM27458;N#CC(CO)CF;RULRZBFFCYDKSZ-UHFFFAOYSA-N;103.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-fluoro-2-(fluoromethyl)propanal;MM02359;O=CC(CF)CF;WZGJZDNMGRPHTQ-UHFFFAOYSA-N;108.09;0.74;17868748;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27459;MM27459;C=CC=NOC(=O)C#N;YRDSVQAMFUHBCV-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27460;MM27460;C=CN(O)C(=NN)NN=C;HMTMKTMAFFYGHI-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27461;MM27461;C#CCN(C=NC)C(C)=O;SZWZPUCLWYEBDU-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27462;MM27462;CC(C#N)OC(C#N)=CN;OAGKOONXYABIOJ-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27463;MM27463;C=CNC(=O)C(=NC)NC;AEHDJWMYAPPNED-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27464;MM27464;CC(=N)NC(C)=NO;GMSRMSOKNGMYHY-UHFFFAOYSA-N;115.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27465;MM27465;CNC(=NOC)C(C)(C)O;IYNRSNXNEZCPJH-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27466;MM27466;C=CC(CF)=NN(C)C=O;YQBWXCKTXHTKDX-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27467;MM27467;C=CC(CC)OC;QCKUVLJIMYEIRI-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27468;MM27468;CCC(C=O)OC;CERVLVANLTVGSM-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27469;MM27469;CCC(C#N)OC;HLGNKWVNJVYHJO-UHFFFAOYSA-N;99.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27470;MM27470;C#CC(C)N(C=O)C=NC;RGJCYVAXXKTUQA-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27471;MM27471;C=CC(CO)OC;CWSWWBPJNKCKBO-UHFFFAOYSA-N;102.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27472;MM27472;COC(C#N)CO;GTBDAXILUCUZNX-UHFFFAOYSA-N;101.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27473;MM27473;COC(C#N)CF;AZPVGZYQJIWLJN-UHFFFAOYSA-N;103.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27474;MM27474;C=CC(OC)OC;OBWGMYALGNDUNM-UHFFFAOYSA-N;102.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27475;MM27475;COC(C=O)OC;OGFKTAMJLKHRAZ-UHFFFAOYSA-N;104.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27476;MM27476;COC(C#N)OC;GSWMRKGWNADDJL-UHFFFAOYSA-N;101.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27477;MM27477;CCN(C=O)N=CCC#N;PRSSKCVVOGLRAB-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27478;MM27478;C=CC(C#N)N(C)CC#N;YEVPUZADSCDCDL-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27479;MM27479;COCC=NOC(C)=O;AOWSVQAYKGLZKO-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27480;MM27480;N#CCOC(C#N)=CN;FLKMEYBBXCVJNP-UHFFFAOYSA-N;123.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27481;MM27481;COC=NN=CC=CN;GWRUFXLUOMDPSC-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27482;MM27482;C#CC(=O)N(C)C(=N)OC;URWYRNOVXUNDML-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27483;MM27483;CCN(C=O)OC;ZFTPKFGCAWUTBF-UHFFFAOYSA-N;103.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27484;MM27484;C#CC(CC)CC;WGWGXWSBPXLXTA-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27485;MM27485;C=C(C=O)N(C=O)N=CC;SRQMUKGNMBACMU-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27486;MM27486;C#CC(CC)CF;QPOHWNHAJGMLGE-UHFFFAOYSA-N;100.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27487;MM27487;C=NOC(C#N)=NOC=O;JIAPDYKVMZGFAW-UHFFFAOYSA-N;141.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27488;MM27488;NCC#CC(O)C(F)=CF;WYWIRBUHQDHYNT-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27489;MM27489;C=CC=CN(O)C(=N)OC;JHVXGAXOVPFPHA-UHFFFAOYSA-N;142.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27490;MM27490;C#CC(CO)CO;KUFQMHMOLCBQER-UHFFFAOYSA-N;100.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27491;MM27491;C#CC(CO)CF;SONVICJWHFZZHN-UHFFFAOYSA-N;102.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27492;MM27492;C#CCOCON=COC;IQKUUJYRRAHYLX-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27493;MM27493;CCC=NN(C=N)C=O;RTIGPONUSFEQNU-UHFFFAOYSA-N;127.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27494;MM27494;C#CC(O)C#CC(=N)NN;YAFNKAHBNPKYIS-UHFFFAOYSA-N;137.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27495;MM27495;C#CCNN(C)C(=O)C#N;VDRZWRKWWHRESY-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27496;MM27496;C#CC(CC)OC;UNAXZJARXXCLJO-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27497;MM27497;C#CC(=O)N(C=N)CC#N;YFUZWZABNZNRED-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27498;MM27498;C#CC(CO)OC;YBQIEEWXHQRIRN-UHFFFAOYSA-N;100.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27499;MM27499;C#CC(CF)OC;CROIPIKHHUXHRL-UHFFFAOYSA-N;102.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27500;MM27500;C#CC(OC)OC;OYSKRUJJSNSHLV-UHFFFAOYSA-N;100.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27501;MM27501;C=CC(C=C)CC;LPIGTEHGTDXOAW-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27502;MM27502;C=CC(C=O)CC;CBECDWUDYQOTSW-UHFFFAOYSA-N;98.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27503;MM27503;C=CC(C#N)CC;WYGBYUCRAQJFAF-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethylpropanedial;MM02960;CCC(C=O)C=O;KJOIYGNLIYOKAT-UHFFFAOYSA-N;100.12;0.41;19933060;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formylbutanenitrile;MM02341;CCC(C#N)C=O;CWNRYVQFAMHXLM-UHFFFAOYSA-N;97.12;0.74;22281319;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethylpropanedinitrile;MM01994;CCC(C#N)C#N;PLKGLZXMDLCSLY-UHFFFAOYSA-N;94.12;1.06;19426;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27504;MM27504;C=CCOC(C#N)=CN;MZTZXIPATZHMHG-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27505;MM27505;CNC(=NCC#N)N(C)C;YSSRPRAUGFLCPF-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27506;MM27506;C=CC(C=O)CO;XGEOECMCSQWDLH-UHFFFAOYSA-N;100.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27507;MM27507;C=CC(C#N)CO;PZWRVBPJHVSRTK-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27508;MM27508;O=CC(C=O)CO;KVUMOCRUBAKJHC-UHFFFAOYSA-N;102.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27509;MM27509;N#CC(C=O)CO;SPEZOIGDHDNBOA-UHFFFAOYSA-N;99.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27510;MM27510;N#CC(C#N)CO;DOPKTVPQXIIFRX-UHFFFAOYSA-N;96.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27511;MM27511;C=CC(C=C)CF;RBEZYJCYKUTMKC-UHFFFAOYSA-N;100.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27512;MM27512;C=CC(C=O)CF;YRNIABNZGGVMPI-UHFFFAOYSA-N;102.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16044;MM16044;O=CC(C=O)CF;QZHJJEBNAMHBGH-UHFFFAOYSA-N;104.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27513;MM27513;N#CC(C=O)CF;NYNSIDBPYCELGG-UHFFFAOYSA-N;101.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16022;MM16022;N#CC(C#N)CF;BIZZUENODSBRCE-UHFFFAOYSA-N;98.08;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27514;MM27514;CCOC(=N)N(C)C(C)=O;IZXVUJFUBRKVIA-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27515;MM27515;C#CC(=N)N(C)C(=O)OC;DDNMJPKMXPBGBB-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27516;MM27516;C=NN(C)C(=O)OCC#N;IORSQPJULPOKFA-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27517;MM27517;CCON=C(CO)N(C)C;MJLMNVFOLRUQFD-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27518;MM27518;C=CC(C=C)OC;DXWULPBYTMXXSL-UHFFFAOYSA-N;98.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27519;MM27519;C=CC(C=O)OC;QVOFAGREFGKBCN-UHFFFAOYSA-N;100.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27520;MM27520;C=CC(C#N)OC;HOMWNHKBIKANBM-UHFFFAOYSA-N;97.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methoxypropanedial;MM02640;COC(C=O)C=O;JBDLAPGGRNEDKV-UHFFFAOYSA-N;102.09;-0.6;21301831;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27521;MM27521;COC(C#N)C=O;BRVBNLUTKSEAHA-UHFFFAOYSA-N;99.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27522;MM27522;COC(C#N)C#N;ZJNQQOAZEUCYPZ-UHFFFAOYSA-N;96.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27523;MM27523;C=CC(=N)N(C=O)N=CC;RDIQIWMLTAEJHI-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27524;MM27524;C=CN(C=O)CC;DFMIMUDDPBAKFS-UHFFFAOYSA-N;99.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27525;MM27525;CON=CC(CF)=NOC;XJPZGNNOODBSMS-UHFFFAOYSA-N;148.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27526;MM27526;C=COC(C)=NOC;CZAPCULOLCATQT-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27527;MM27527;CCN(C=O)C=O;QMQCJOQJBNTRNZ-UHFFFAOYSA-N;101.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27528;MM27528;CCOC(C#N)=CN;FQBQNQGUXGEDKA-UHFFFAOYSA-N;112.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27529;MM27529;CC(C)OC(C#N)=CN;RCKRXPRESSBTFU-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27530;MM27530;CCN(C)N=COC=O;DFTUWVDKBFQPFV-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27531;MM27531;COCON=C(C)OC;XTGSQYRDGHCZMD-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27532;MM27532;CN(C)N(C=O)C=CF;ITJYOOMYQCWCGM-UHFFFAOYSA-N;132.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27533;MM27533;CCCOC(C#N)=CN;KVHGIIYSBDQWPU-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27534;MM27534;N#CC(=CN)OCCF;VDMAAZAIJIOKSN-UHFFFAOYSA-N;130.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27535;MM27535;CNC=C(C#N)C#CC=O;XISIRIAFAZMOEV-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27536;MM27536;C=CN(C=O)OC;HDYFAODOECQVLO-UHFFFAOYSA-N;101.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27537;MM27537;C#CC=NOC(C#N)OC;MOINBEMAXQKPCX-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27538;MM27538;CCCCOC(C#N)=CN;WRXHKWAZWMZYKV-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27539;MM27539;CON(C=O)C=O;VGEAPOLXDRGFAY-UHFFFAOYSA-N;103.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27540;MM27540;C#CC(C=C)CC;IMDVPUNTMZTRGZ-UHFFFAOYSA-N;94.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27541;MM27541;C#CC(C=O)CC;RFTIUDUJRFYMGJ-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15418;MM15418;C#CC(C#N)CC;CSEBBPMHGZFLOY-UHFFFAOYSA-N;93.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27542;MM27542;N#CC(=CN)OCCCF;CPKSZMUPZNNDAT-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27543;MM27543;CN(N)C(=NO)NC=N;CMPZIEBRGBKDDR-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27544;MM27544;C#CC(C=O)CO;DVUONMTWLOOCIR-UHFFFAOYSA-N;98.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27545;MM27545;C#CC(C#N)CO;MQXZOFYPRXLRMH-UHFFFAOYSA-N;95.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27546;MM27546;C#CC(C=C)CF;SISRAHWTGKNHFH-UHFFFAOYSA-N;98.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27547;MM27547;C#CC(C=O)CF;JBYWCTLWFGVJFE-UHFFFAOYSA-N;100.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15962;MM15962;C#CC(C#N)CF;NWGURQGNRLKPCW-UHFFFAOYSA-N;97.09;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27548;MM27548;COCCOC(C#N)=CN;PSKSYTVRJTZCKT-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27549;MM27549;C=NNC(=NNC)N(C)O;NFQZMIUFZGFAHC-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27550;MM27550;C=CNC(=NO)N(C)C=N;BMHHMRFKBPXONJ-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27551;MM27551;C#CC(C=C)OC;FMTCZSFCSWZSGR-UHFFFAOYSA-N;96.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27552;MM27552;C#CC(C=O)OC;HTCSVLMCTMHNAK-UHFFFAOYSA-N;98.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27553;MM27553;C#CC(C#N)OC;HHQACOJFCYQRTP-UHFFFAOYSA-N;95.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27554;MM27554;C#CC(C#C)CC;CKNUIFWGWURQQX-UHFFFAOYSA-N;92.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27555;MM27555;N#CCCOC(C#N)=CN;HUWVQMZHPPMHEN-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27556;MM27556;C#CC(C#C)CO;GKGDDPOGJKJSHV-UHFFFAOYSA-N;94.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27557;MM27557;C#CC(C#C)CF;FXCIEKLIBCWUFX-UHFFFAOYSA-N;96.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27558;MM27558;COC(C#N)=CN;ZXCSHQWJPTWVIQ-UHFFFAOYSA-N;98.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27559;MM27559;C#CC(C#C)OC;UWYPPTXUYRMZKH-UHFFFAOYSA-N;94.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27560;MM27560;C=CC(C=C)C=C;HEKRPWJODWSOQV-UHFFFAOYSA-N;94.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27561;MM27561;C=CC(C=C)C=O;ZOLOMAAHECMMCB-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27562;MM27562;C=CC(C#N)C=C;WHZDSFAZBVKYJZ-UHFFFAOYSA-N;93.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formylbut-3-enenitrile;MM02315;C=CC(C#N)C=O;NBYQSGLYRWVAMI-UHFFFAOYSA-N;95.1;0.51;139761522;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethenylpropanedinitrile;MM01995;C=CC(C#N)C#N;NTIGAXYOBUPAPS-UHFFFAOYSA-N;92.1;0.84;54276448;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Methanetricarbaldehyde;MM02021;O=CC(C=O)C=O;WRWNFZAKUHZONV-UHFFFAOYSA-N;100.07;-0.8;551778;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27563;MM27563;N#CC(C=O)C=O;KEDAKHXXWHXXHO-UHFFFAOYSA-N;97.07;-0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27564;MM27564;N#CC(C#N)C=O;OMVVCUZSWSHCMJ-UHFFFAOYSA-N;94.07;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27565;MM27565;N#CC(C#N)C#N;HFWIMJHBCIGYFH-UHFFFAOYSA-N;91.07;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27566;MM27566;C=CN(N=CC)C(=O)C=O;VVGDCMLYVIJXMO-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27567;MM27567;C=CN(C=C)C=O;LKIPOGBWSIFYFM-UHFFFAOYSA-N;97.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27568;MM27568;C=CC(=O)N(C=N)N=CC;ZQZYAKNHWVZWCG-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27569;MM27569;N#CCNCC#N;BSRDNMMLQYNQQD-UHFFFAOYSA-N;95.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27570;MM27570;C=CN(C=O)C=O;AYZAMTANGZDIKM-UHFFFAOYSA-N;99.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27571;MM27571;CC=NN(C=N)C(C)=O;IEQXOQUYYCRGFP-UHFFFAOYSA-N;127.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27572;MM27572;CNN(C=O)C(=O)C#N;FLRUZBNUEBLMJR-UHFFFAOYSA-N;127.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27573;MM27573;N=CN(C=O)C=O;FWVRNJVNKDHEBW-UHFFFAOYSA-N;100.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27574;MM27574;O=CN(C=O)C=O;PFBAGGWJGZAGCG-UHFFFAOYSA-N;101.06;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27575;MM27575;CNC(C)=C(C#N)OC;FLCVZMMPDWIYCB-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27576;MM27576;CN(C)N=CON(C)C=O;FUPXKVBCSBZVSU-UHFFFAOYSA-N;145.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27577;MM27577;C=COC=NN(C)CC#N;QWYZZQQMVXHSNI-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27578;MM27578;C=C(C#N)C(=N)N(C)C=O;CZILQNJFEDWTCP-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27579;MM27579;C=NN(C=CF)C(C)=O;LGZWZRMMOUEADA-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27580;MM27580;C#CC(C=C)C=C;QXBOODAVERWUBJ-UHFFFAOYSA-N;92.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27581;MM27581;C#CC(C=C)C=O;FLTNKCIQCZRCCU-UHFFFAOYSA-N;94.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15496;MM15496;C#CC(C#N)C=C;HGOAGVWYXBRVFA-UHFFFAOYSA-N;91.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27582;MM27582;C#CC(C=O)C=O;UHMWPUBURMNSMX-UHFFFAOYSA-N;96.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethynylpropanedinitrile;MM01942;C#CC(C#N)C#N;UAPBNRSYNDHEJY-UHFFFAOYSA-N;90.09;0.28;57452847;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27583;MM27583;C#CC(C#C)C=C;GQIUYWKVLIRHCV-UHFFFAOYSA-N;90.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27584;MM27584;C#CC(C#C)C=O;PYWAKPKBCQBNEB-UHFFFAOYSA-N;92.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02018;MM02018;C#CC(C#C)C#N;NXENYQVRORSLET-UHFFFAOYSA-N;89.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27585;MM27585;C#CC(C#C)C#C;BIGDOUUFKONCKO-UHFFFAOYSA-N;88.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27586;MM27586;CC=C(CC)CC;XMYFZAWUNVHVGI-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27587;MM27587;CCC(=CF)CC;JZWTVFSIOQQALC-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27588;MM27588;C#CC(=NN(C)C)OC=C;ZCZYIWIVPWUTGP-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27589;MM27589;C=NN(C)C(=O)C#CCF;LFLZKSJZGQPUHO-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(fluoromethylidene)butan-1-ol;MM01959;CCC(=CF)CO;XCCKOQNDPKJBEO-UHFFFAOYSA-N;104.12;1.24;54461776;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27590;MM27590;CC=C(CC)CF;LASPAGRHXLVGCC-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27591;MM27591;CCC(=CF)CF;GAJYNFLITWIIKM-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27592;MM27592;C#CC#CC(=N)N(C)C=O;JYQGCXJOAVFRLZ-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27593;MM27593;N#CC(=C(N)N)C(F)C#N;QQJHBAWDHRWTGF-UHFFFAOYSA-N;140.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27594;MM27594;C#CC(C)(N)C(O)C#CC;BRDAWQRRJHPEPS-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27595;MM27595;C=NN(C=NOC)C(C)=O;FOTLWBMLACWCNV-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27596;MM27596;CCC=NN(C=N)C(C)=O;PNPQEUMTJDMXBU-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27597;MM27597;CC=C(CO)CO;ZOLNNUYBSDNCFO-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27598;MM27598;OCC(=CF)CO;AVNIZCPQKHTOAY-UHFFFAOYSA-N;106.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27599;MM27599;CC=C(CO)CF;UMZZIRDWLZWNPJ-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27600;MM27600;C#CCN(C)N(C=C)C=O;KNHRVEPCQWJKGJ-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-pentan-3-ylidenehydroxylamine;MM01811;CCC(CC)=NO;NAQQTJZRCYNBRX-UHFFFAOYSA-N;101.15;1.64;2801745;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27601;MM27601;C=CC(O)(C#CCN)CC;UUKUVGQEBKITBF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27602;MM27602;CCC(CO)=NO;KPKGFLHNCQYFOZ-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27603;MM27603;COCOC(C)=NOC;IWFOHPDXTBJQDG-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27604;MM27604;C=C(C)C(C)(O)C#CCN;JTHAMFVTTUNMHB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27605;MM27605;C=CC(=C)C(O)C#CCN;LPGNDOXFEARVBF-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27606;MM27606;OCC(CF)=NO;RUYVWWOPOVOQPH-UHFFFAOYSA-N;107.08;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27607;MM27607;CC=NN(C=O)C(C)=N;WBGUWHAOTKDWOK-UHFFFAOYSA-N;127.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27608;MM27608;ON=C(CF)CF;IEONZZKHSPUCGC-UHFFFAOYSA-N;109.08;0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27609;MM27609;C#CCON=C(C)OC;LJTFELYHIARFSY-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27610;MM27610;CC(=O)NC(CN)=C(C)F;LSYJHEUAKZIRMD-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27611;MM27611;C#CC(C)C(N)C#CCO;VUWADYBRTSQPOO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27612;MM27612;CCC(O)C=CN(O)C=N;GEWBCWCVBXLPSD-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27613;MM27613;CCC(=NO)NO;HHZNZLQOMLVRSA-UHFFFAOYSA-N;104.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27614;MM27614;CC=NN(C=O)C=NC;QDEVQZRWTZSAGK-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27615;MM27615;CN(O)C(=N)NO;NYJBLTHFUZLXOY-UHFFFAOYSA-N;105.1;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27616;MM27616;CN=C(NO)OC;COBGRGUNUAVUSZ-UHFFFAOYSA-N;104.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27617;MM27617;C=NN=C(NC=N)N(C)N;ABVIIAHBLGUBJZ-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27618;MM27618;C=NNC(=NN)N(C)OC;PEEVNTHQEHEGJZ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27619;MM27619;C=NNC(=NC)N(N)C=O;YNOFTEPNSXSLEN-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27620;MM27620;OCC(=NO)NO;IEUREBQJBGSOKX-UHFFFAOYSA-N;106.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27621;MM27621;CNC=C(C#N)CC#N;SKNJUQYJJQCFMW-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27622;MM27622;C=NN=CN(C)C(=N)C#N;CNBCUEWZHZABKF-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27623;MM27623;N=CN=C(NN)NO;UMCPPSGSMOOFRL-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27624;MM27624;CC=C(CC)OC;SDCXDHFQQVVBEN-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27625;MM27625;CCC(=CF)OC;HWUIWPHRYKSEJE-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27626;MM27626;C=NN(C=CC#N)C(C)=O;RQIGMDCVBSUZSY-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27627;MM27627;CC(=O)N(C=N)CC#N;YOEJJTHBAJYRNS-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27628;MM27628;CC=C(CO)OC;OYYMCRRJJOTIMV-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27629;MM27629;COC(=CF)CO;KYOMHMLRRQABAN-UHFFFAOYSA-N;106.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27630;MM27630;CC=C(CF)OC;XTPTZVWUNIMDJT-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27631;MM27631;CC(=NN)C(=N)N(C)O;YBEQMGPYFRFEAN-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27632;MM27632;COC(=CCF)N=CNO;AFBPZJBRJDYJGG-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27633;MM27633;COC(CF)=NO;VEFGQXLCDOUMLW-UHFFFAOYSA-N;107.08;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27634;MM27634;CC(C)N=CN(C=N)C=O;JRUAOTKYTJKPQI-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27635;MM27635;C=CNC(=NC)C(N)=O;KMNJZUHQICVVHS-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27636;MM27636;C=NN(C=O)C(=C)CC#N;SAFANIMYGFOTHW-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27637;MM27637;N=CNN=C(C=O)C=O;KEKIWWUTKIGJPD-UHFFFAOYSA-N;127.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27638;MM27638;CCC(O)C(CF)NC;JTXAANVVVNWKMB-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27639;MM27639;C=CC(=N)N(O)CCF;QXJTWCJFZQAABO-UHFFFAOYSA-N;132.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27640;MM27640;CC(=O)C(N=CN)=NC=N;MRAOITYJZDRCSJ-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27641;MM27641;C#CC(=N)NN=CN(C)N;ASVCOLUWJLBNCK-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27642;MM27642;CC(O)C(C)N=CN(C)N;YZURYBKTXFDIKS-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27643;MM27643;CNN(C)C(=NN)NO;VFVNWRWPHUZSPA-UHFFFAOYSA-N;133.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27644;MM27644;CCN=C(NO)C(C)CO;RKHGZFFDHHCGHG-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27645;MM27645;CCC(CO)N=CN(C)N;JDGLZSWCOFMPML-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27646;MM27646;NN=C(CF)CF;HRLGVRLOBCNZNZ-UHFFFAOYSA-N;108.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27647;MM27647;CC(=N)N=C(C#N)NC=N;RISHCLICAWTHQK-UHFFFAOYSA-N;137.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27648;MM27648;C=COC(C#N)=C(C)N;JLEHMMGMSIGSIC-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27649;MM27649;CON=C(NO)C(=N)N;TXOOTFUFWZWVFZ-UHFFFAOYSA-N;132.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27650;MM27650;C#CCNN=CC(C)=NN;IFEWQZIABXRWFS-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27651;MM27651;COC(=NO)NO;RHIOCPHJTQEXCF-UHFFFAOYSA-N;106.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27652;MM27652;CCN=C(C=CCO)NO;PIDRZLYHOLUCNQ-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27653;MM27653;COC(=NO)OC;GOZDWWYYUIIXND-UHFFFAOYSA-N;105.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27654;MM27654;C=CC(=CC)CC;JFLOKYMVJXMYFI-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27655;MM27655;C=CC(=CF)CC;BCHWYTOLSXWNLK-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27656;MM27656;CC=C(C=O)CC;IQGZCSXWIRBTRW-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27657;MM27657;CC=C(C#N)CC;ZJPQPBRWBXBMRY-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27658;MM27658;CCC(C=O)=CN;IWAPFSLIJDJZND-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27659;MM27659;C=NN(C=O)C=NC=N;QPGATZVEKNJKMM-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27660;MM27660;CCC(C=O)=CF;UXZXLZMRNPSCCS-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27661;MM27661;CCC(C#N)=CF;DINJCJSGSSQWEP-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27662;MM27662;CN(C)N=CC(=O)N(C)C;YKVLLGGONNXILA-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27663;MM27663;C=CC(=O)C(C)=NN(C)C;UCQKHDPOEASYEQ-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27664;MM27664;C=CC(=CF)CO;XLXWVXUIYTWDGL-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27665;MM27665;CC=C(C=O)CO;LBBCKLBUFAQQQA-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27666;MM27666;CC=C(C#N)CO;KVPZUICDNYJQMU-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27667;MM27667;NC=C(C=O)CO;IQSXOLNTDRYNKT-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27668;MM27668;CC(=O)CCN(O)C=N;IAKBSYPGAHGHQP-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27669;MM27669;O=CC(=CF)CO;ZVPVCMQMSAURTL-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27670;MM27670;N#CC(=CF)CO;DYPDLQVFRXGGLQ-UHFFFAOYSA-N;101.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27671;MM27671;C=CC(=CC)CF;IEIDOARJFMKGTN-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27672;MM27672;CC=C(C=O)CF;OEKXVFILBNBNND-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27673;MM27673;CC=C(C#N)CF;RWLSRKAKCGTRHG-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27674;MM27674;NC=C(C=O)CF;DJCGIUWZBRUQJM-UHFFFAOYSA-N;103.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27675;MM27675;C=COCOC(C)=NOC;NAMFZRFZPWUTCX-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27676;MM27676;O=CC(=CF)CF;GFWYFVOLCKZOQA-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27677;MM27677;N#CC(=CF)CF;GWRZGLQEYVJFBX-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27678;MM27678;CCC=NN(C=O)C=NC;LWZJMPDWCQCOKV-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27679;MM27679;COCCN=C(C)NO;UCTOIKUSMJFICV-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27680;MM27680;CCC(C=O)=NO;NTIIJDHCSCGSQE-UHFFFAOYSA-N;101.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27681;MM27681;CCC(C#N)=NO;MJFUFSMZUGFWHY-UHFFFAOYSA-N;98.11;0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27682;MM27682;C#CC(=N)N(N)C=NNC;SHROPLMMTUSJAS-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27683;MM27683;C=CC(CO)=NO;RLVOTESRHZCFOA-UHFFFAOYSA-N;101.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27684;MM27684;O=CC(CO)=NO;PVMDTLVGEGDQDX-UHFFFAOYSA-N;103.08;-0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27685;MM27685;N#CC(CO)=NO;ZOZIEPFTZMNYRE-UHFFFAOYSA-N;100.08;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27686;MM27686;C=NN(C=O)C=NOCC;MTVASLVPGLYIPB-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27687;MM27687;O=CC(CF)=NO;WERKNGIGIZCOQB-UHFFFAOYSA-N;105.07;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27688;MM27688;N#CC(CF)=NO;GHWHOSSFYVQIDY-UHFFFAOYSA-N;102.07;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27689;MM27689;C#CC(C#C)=NOCOC;SSYAOVNSOSMPKX-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27690;MM27690;CC(C)=NOC(=O)C=O;UFZHOCLXRPKQKG-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27691;MM27691;CC(C)NC(CO)CF;PYYSVCHGQZSHNP-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27692;MM27692;CC=NN(C(C)=N)C(C)=O;WMTUVRMESABYSM-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27693;MM27693;C=NN(C=O)C=C(C)C#N;WPKFEWGOFKNHGT-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27694;MM27694;C=CN(C)C(=NN)OC;XBMSSSVDJSPDAT-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27695;MM27695;C#CC(=O)C(C)(CF)NC;VHSNZNYDSWMWJW-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27696;MM27696;C#CC(=NC=NN)NC=C;RAAXSTHOOXYOPW-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27697;MM27697;C=CC(=NO)NO;HFQLHPPUVPTBOT-UHFFFAOYSA-N;102.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27698;MM27698;O=CC(=NO)NO;XVKCVMNIOFYIKY-UHFFFAOYSA-N;104.07;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27699;MM27699;N#CC(=NO)NO;QXTQCHDENSZPDW-UHFFFAOYSA-N;101.07;-0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27700;MM27700;C=CC(=CC)OC;BJLIERJEWCSMAV-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27701;MM27701;C=CC(=CF)OC;DYFCQNNPKGGEKS-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27702;MM27702;CC=C(C=O)OC;XXNOJBQDRJBNHY-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27703;MM27703;CC=C(C#N)OC;LSCCSYSRTGKKRB-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27704;MM27704;COC(C=O)=CN;HRRPEOOFDSZOPT-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27705;MM27705;C=CN(C=NC)C(=O)C=O;CZGYVUGYKHNTAD-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27706;MM27706;COC(C=O)=CF;DYGPFJVZVYPFQA-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27707;MM27707;COC(C#N)=CF;AZDXXHIIBIBMHV-UHFFFAOYSA-N;101.08;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27708;MM27708;CN=CN=NC=C(C)NN;HDTAWYRECRIICE-UHFFFAOYSA-N;141.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27709;MM27709;C=CC(=NO)OC;XQSBMMPUWKUTNA-UHFFFAOYSA-N;101.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27710;MM27710;COC(C#N)=NO;JPBBWNQQILEDGU-UHFFFAOYSA-N;100.08;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27711;MM27711;C#CC(=CC)CC;UNFQVPAAWFRBRN-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27712;MM27712;C#CC(=CF)CC;VMZXNDXHQOHWKW-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27713;MM27713;CC=NOC(C#N)=NOC;IDLMVPIKYWUASR-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27714;MM27714;C#CC(=NN)C(=CF)OC;NZEZEBYGASEQDJ-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27715;MM27715;C#CC(=CC)CO;YQXTZBRRZNDDNS-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27716;MM27716;C#CC(=CF)CO;NWZJDBTWLUQPRP-UHFFFAOYSA-N;100.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27717;MM27717;C#CC(=CC)CF;JDZGUUBKMIFIMU-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27718;MM27718;C#CC(=CF)CF;JSFFSEMXVJCIKD-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27719;MM27719;C#CCN=CN(C=O)N=C;MLQLTHCQTPSSOY-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27720;MM27720;C#CC(CC)=NO;KSPSNLOKMZZRFX-UHFFFAOYSA-N;97.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27721;MM27721;COC=NOC(C)CC#N;XJGROLSFHHMWQM-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27722;MM27722;C#CC(CF)=NO;SVQQRWPTSBRUJD-UHFFFAOYSA-N;101.08;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27723;MM27723;C=NN=C(C#N)ON=CC;VXDHBJRTPIXECY-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27724;MM27724;CCOC=NOCCC#N;FJSNJZYCKUEWGL-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27725;MM27725;C#CC(CO)C(C#C)NC;KJTJALAOBFZUCV-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27726;MM27726;C#CC(=NO)NO;NKGRLRNYGADOIF-UHFFFAOYSA-N;100.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27727;MM27727;C#CC(=CC)OC;DXHURMWHWCGRGZ-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27728;MM27728;C#CC(=CF)OC;CXHOTBPDIGRMMO-UHFFFAOYSA-N;100.09;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27729;MM27729;C#CC(=NO)OC;NTYYVUXCFOCLKU-UHFFFAOYSA-N;99.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27730;MM27730;C=CC(C=C)=CC;RUKCSZJSODAPHD-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27731;MM27731;C=CC(C=C)=CF;IEMXGFQUGDJYIR-UHFFFAOYSA-N;98.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27732;MM27732;C=CC(C=O)=CC;XOBGIOGZLQNHMM-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27733;MM27733;C=CC(C#N)=CC;HCKPZFPSCNDRMA-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27734;MM27734;C#CC(=O)N(CCF)N=C;UOEDDQDBRYLKTN-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27735;MM27735;C=CC(C=O)=CF;GSRHGYYKIVLLJR-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27736;MM27736;C=CC(C#N)=CF;ADISOJUMRQREKL-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27737;MM27737;CC=C(C=O)C=O;QHMNKZOHLBKSBY-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27738;MM27738;CC=C(C#N)C=O;YLGXPYYXNNJJFT-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27739;MM27739;CC=C(C#N)C#N;VPGXPWHNPQONBA-UHFFFAOYSA-N;92.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27740;MM27740;NC=C(C=O)C=O;VZLSSMVWAAWINT-UHFFFAOYSA-N;99.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27741;MM27741;N#CC(C=O)=CN;LOFUZRUXVYHVQW-UHFFFAOYSA-N;96.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27742;MM27742;CCON=COCCC#N;PHFJTTJBOOHCFF-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27743;MM27743;O=CC(C=O)=CF;RJWFMTOTLCWPFA-UHFFFAOYSA-N;102.06;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27744;MM27744;N#CC(C=O)=CF;ZTAZXXCGXAUQQQ-UHFFFAOYSA-N;99.06;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27745;MM27745;N#CC(C#N)=CF;YHTPWQUUBRFYHH-UHFFFAOYSA-N;96.06;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27746;MM27746;CC=NN(C=NC)C(C)=O;NLDXAYHYZDWNKV-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27747;MM27747;CCON=C(NNC)OC;QERZIEQANFOVIL-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27748;MM27748;C=CC(C=O)=NO;ZDEAIJKWVRBOHO-UHFFFAOYSA-N;99.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27749;MM27749;C=CC(C#N)=NO;RPNFSEIPCQVKIE-UHFFFAOYSA-N;96.09;0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27750;MM27750;N#CC(C=O)=NO;OYPKMAPCRBCLNE-UHFFFAOYSA-N;98.06;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27751;MM27751;N#CC(C#N)=NO;IQDSOHXLWXMDPM-UHFFFAOYSA-N;95.06;-0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27752;MM27752;C#CC(C=C)=CC;KRMBPFCUENQVLM-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27753;MM27753;C#CC(C=C)=CF;XVLLWAAUYBGPOT-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27754;MM27754;C#CC(C=O)=CC;OSERKYXTJDGEAY-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27755;MM27755;C#CC(C#N)=CC;RGLLJHLJGZGINN-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27756;MM27756;C#CC(C=O)=CN;UMFFIMJBJURKKO-UHFFFAOYSA-N;95.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27757;MM27757;C#CCCN(C)N=CC=O;NKEQWEREORAOBI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27758;MM27758;C#CC(C=O)=CF;GVKNQHOKIMIFIT-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27759;MM27759;C#CC(C#N)=CF;JPFADSINDANVCJ-UHFFFAOYSA-N;95.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27760;MM27760;CN(C=O)C(=N)OCC#N;SELLTIZVULECIZ-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27761;MM27761;C#CC(C=C)=NO;NZEDSOCBCURCSP-UHFFFAOYSA-N;95.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27762;MM27762;C#CC(C#N)=NO;FMFXDVMDNROOGT-UHFFFAOYSA-N;94.07;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27763;MM27763;C#CC(C#C)=CC;XXMLXVJNFHGZOC-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27764;MM27764;C#CC(C#C)=CF;FHXGWCFDJXVVEZ-UHFFFAOYSA-N;94.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27765;MM27765;CCNC=C(C#N)CC#N;OUXCBAXRMSSYKR-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27766;MM27766;C#CC(C#C)=NO;UZJYNDHAEHDLTO-UHFFFAOYSA-N;93.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27767;MM27767;CCC1(CC)CC1;VUROAZUCSQPSOK-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27768;MM27768;CON=COCCF;LNYSGBVHQLALHX-UHFFFAOYSA-N;121.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27769;MM27769;CC=NN=C(NC)NNC;FVCUPENLMTWQAM-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27770;MM27770;CCC1(CF)CC1;QTDFWPRXGVMFLA-UHFFFAOYSA-N;102.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27771;MM27771;COC=NOCCF;FTPUSUUWWUEDLT-UHFFFAOYSA-N;121.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27772;MM27772;CON=C(NN)N(C)C=N;KKHILNNLTQMESE-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27773;MM27773;C#CC(=C)N(C=O)N=C;GYIVGDVQFPNRMN-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27774;MM27774;OCC1(CO)CC1;YAINYZJQSQEGND-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27775;MM27775;OCC1(CF)CC1;IRFLMQHCAJMPCS-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27776;MM27776;C#CC#CC(C#C)=NN;PUTFUBDFMXENFZ-UHFFFAOYSA-N;116.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27777;MM27777;CON=CC(C)(C#N)C#N;RJLDTSPHPATSQE-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27778;MM27778;CCC1(OC)CC1;CPRCISLPUCMJKC-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27779;MM27779;COC=NOCC(C)C#N;GBVKUSIJOLBIPY-UHFFFAOYSA-N;142.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27780;MM27780;COC1(CO)CC1;NNJYWHBHHWGUFF-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27781;MM27781;COC1(CF)CC1;AOLJMRKQWRVMIA-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27782;MM27782;COC1(OC)CC1;JCLZCBAXAHKPGC-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27783;MM27783;COC=NN=CN(C)OC;ZYTZGDQJAWNWCO-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27784;MM27784;CCC(C=O)=NN(C)C;AOZCZEUGWVCCMV-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27785;MM27785;C=CC#CC(=O)ON=C;ZLKZGZSJHARLKP-UHFFFAOYSA-N;123.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27786;MM27786;C=NN(C(C)=N)C(=N)NN;QHOAJINFUUKBPJ-UHFFFAOYSA-N;142.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27787;MM27787;CN(CC#N)CC(F)C#N;QQWQQENSASNWQH-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27788;MM27788;CC(CN(C)CCF)=NO;RAOBYTRSMBBPNQ-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27789;MM27789;CCC1(CC)CO1;OVKYVUFYOFPYNK-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27790;MM27790;COC=NN(C)C=NOC;DRIGFMFCEXJDMR-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27791;MM27791;CCC1(CO)CO1;NXPXQOGPODGJKY-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27792;MM27792;CCC1(CF)CO1;YCAHLLLRCSNHGW-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27793;MM27793;CN(C=NC=N)C(=O)C#N;NDQUOENCTWRMDT-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27794;MM27794;OCC1(CO)CO1;JPPHIOSSIXVADB-UHFFFAOYSA-N;104.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27795;MM27795;COCOC(C#N)=C(C)N;BBFIRLDGPPDBPB-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27796;MM27796;CNC(=NNC=N)NOC;DLVMSHSETGTJOD-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27797;MM27797;CC(F)(F)C=NN;COFNQJRZOMZFPP-UHFFFAOYSA-N;108.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27798;MM27798;CC(N=CN)=NCCC=O;HIWJAVOUQNNCMZ-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27799;MM27799;CN=C(C=NO)N(C)N;OZPKMFWBLWTUQS-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27800;MM27800;FCCCCCF;ZBQFYVZOWLAJKN-UHFFFAOYSA-N;108.13;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27801;MM27801;CC=NN(C=O)CC#N;NOPVPPIISOIFCV-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27802;MM27802;CNNC(=NO)OC(C)C;HTVQLGHVRZCAFF-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27803;MM27803;C=NN(CC)C(=O)C#N;INXUGTNLNRBRGV-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27804;MM27804;C#CC(=N)N(C=O)C(C)=N;OWWZMEFCUIDFMI-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27805;MM27805;C=NN(C=O)C=CCC#N;CSVASPHOVXJDSM-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27806;MM27806;COC=NOCCCC#N;NTCNOQCPXISJBO-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27807;MM27807;COCCCOC;UUAMLBIYJDPGFU-UHFFFAOYSA-N;104.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27808;MM27808;C=NN(C=N)C=O;DLSTZDVCALPILX-UHFFFAOYSA-N;99.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27809;MM27809;CONC(=N)NC=CC#N;MWMMXSQFYQAHPE-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27810;MM27810;CN=CN(C=O)C(C)=NC;AMIBMUAWRHPDMM-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27811;MM27811;CON=COCCCC#N;NBJRNCWPEOAQQN-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27812;MM27812;CNC(C)(C#N)C#N;YEPNADFSXZTOAX-UHFFFAOYSA-N;109.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27813;MM27813;CCOCCCO;XHMWPVBQGARKQM-UHFFFAOYSA-N;104.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27814;MM27814;COCC(F)(F)C=NN;VQKSXDJTJCRQBG-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27815;MM27815;CCOCCOC;CAQYAZNFWDDMIT-UHFFFAOYSA-N;104.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27816;MM27816;CCOCOCC;KLKFAASOGCDTDT-UHFFFAOYSA-N;104.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27817;MM27817;CCN(C)N=C(C)C=O;OUJDRZFTOVBVQQ-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27818;MM27818;CCOCOC(C)=NOC;QNVJFZFUXIUYPU-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27819;MM27819;CCCOCCC;POLCUAVZOMRGSN-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27820;MM27820;CC(N)=C(C#N)OCC#N;RJGSVXDTDYSUNP-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethylene Glycol Monopropyl Ether";MM00943;CCCOCCO;YEYKMVJDLWJFOA-UHFFFAOYSA-N;104.15;0.41;17756;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27821;MM27821;CCN(C=O)N=CC=CF;GMBFFGLLEYBOIQ-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27822;MM27822;C#CC(=C)NC(=NO)NN;QWNBBGFVOZQZPE-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(2-hydroxyethoxy)ethanol;MM00014;OCCOCCO;MTHSVFCYNBDYFN-UHFFFAOYSA-N;106.12;-1.01;8117;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27823;MM27823;OCCOCCF;AIQHGORLUMRDSE-UHFFFAOYSA-N;108.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27824;MM27824;FCCOCCF;PEMRKDDXYZHSMU-UHFFFAOYSA-N;110.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27825;MM27825;CCCOCOC;XDEBEEKYERBCBM-UHFFFAOYSA-N;104.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27826;MM27826;COCOCCF;CKQCDHJPEJJLTC-UHFFFAOYSA-N;108.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27827;MM27827;COCOCOC;NSPJNIDYTSSIIY-UHFFFAOYSA-N;106.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27828;MM27828;N#CCCCCO;ISCJLIJIOFOWTR-UHFFFAOYSA-N;99.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27829;MM27829;O=CCCCCF;PPKGSIILGIXOBS-UHFFFAOYSA-N;104.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27830;MM27830;C#CC=NOC=NOC;BPYIKSYJPUMMSL-UHFFFAOYSA-N;126.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27831;MM27831;COCCCC=O;ZRMAOFSYSYAOHQ-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27832;MM27832;COCCCC#N;SXRBBMWSMIISHJ-UHFFFAOYSA-N;99.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27833;MM27833;O=CNCCCO;WYRFKDCNTSFHBX-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27834;MM27834;C#CC(=C)C=NN(C)C=O;HQCSROSARCZNRZ-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27835;MM27835;C#CC(C=NOC)=NOC;BFDVTFKQDFELOV-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27836;MM27836;CN(C)C(C#N)C(F)C#N;OZDXDXUWZHOGHR-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27837;MM27837;C#CC(OC)C(CF)=NN;KLLXWYSJFABRNC-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27838;MM27838;CC=NOC(=O)OC;ODWLUSCZWBDTNK-UHFFFAOYSA-N;117.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27839;MM27839;C=COCCCO;OJXVWULQHYTXRF-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27840;MM27840;O=COCCCO;LTOJYXRLLZAAJA-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27841;MM27841;O=COCCCF;BGYKNOPQMVSSJU-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27842;MM27842;C#CC(F)C(=O)ON=C;FBJHLBHTEBJQNH-UHFFFAOYSA-N;129.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27843;MM27843;C=CC(C)N(C)CCC=O;TVROBEUAWFSJQX-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27844;MM27844;C=CN(N=C)C(=O)OC;MNJWCHBNRNUFMU-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27845;MM27845;C#CC=NOC=NN=C;VUKBOCIBBBCQKN-UHFFFAOYSA-N;123.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27846;MM27846;C=COCCOC;GXZPMXGRNUXGHN-UHFFFAOYSA-N;102.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27847;MM27847;COCCOC=O;HVSACIINGLQLCS-UHFFFAOYSA-N;104.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27848;MM27848;CC(C)C(=O)N(C=N)C=N;UUZYPOJLOCFWFA-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27849;MM27849;CC=NOC(=O)C(=O)OC;CUAMDGYMRSCEPW-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27850;MM27850;C=C(C=CF)C(=O)CNC;NTDOWHXAKDDNCW-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27851;MM27851;N#CC=C(N)C#CC=O;OSXYVCKDIVVOEM-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27852;MM27852;CCOCCC#N;DCWQZPJHHVLHSV-UHFFFAOYSA-N;99.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27853;MM27853;C#CCN=CN(C)C=O;VUIWJSCHDMPWDB-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27854;MM27854;C=NN(C=O)C(=C)OC;BDWQAKUVDYGTKJ-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27855;MM27855;CC(O)C(C#N)=NNC=N;HSVVONFRYFLAEF-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27856;MM27856;CNN=C(NN)NOC;XSCAOAPZIURHRD-UHFFFAOYSA-N;133.16;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27857;MM27857;CC(C=O)=NN(C)C(C)C;FHORPRCIECWBQM-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27858;MM27858;C=NN(C=O)C=NC(C)=N;FYLPUUDPVNRJSO-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27859;MM27859;N#CC(CO)=NNC=N;XEZPXOFLLPMIND-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27860;MM27860;C=COCC=NN(C)C=O;QQJYMKGAGKKTSV-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27861;MM27861;C=CCOCCO;GCYHRYNSUGLLMA-UHFFFAOYSA-N;102.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27862;MM27862;N#CCOCCO;DZCVUZSTUMKTHN-UHFFFAOYSA-N;101.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27863;MM27863;N#CCOCCF;PQOOFXUITQSQSV-UHFFFAOYSA-N;103.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27864;MM27864;C=CCOCOC;ZITJIDNECMXYMH-UHFFFAOYSA-N;102.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27865;MM27865;COCOCC=O;GAOHPGKVCIOCHV-UHFFFAOYSA-N;104.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27866;MM27866;COCOCC#N;MCDDMVNPBJHHHJ-UHFFFAOYSA-N;101.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27867;MM27867;C#CCN(N=C)C(=O)C#C;JSCKCVKHHFRZSD-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27868;MM27868;CCCONC=O;HPNIWTLFYSBALP-UHFFFAOYSA-N;103.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27869;MM27869;C#CCCOCC;WAPNRRHIEGNDKL-UHFFFAOYSA-N;98.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27870;MM27870;COC(C#N)=C(C)N;VKWSRGCHSOFQDI-UHFFFAOYSA-N;112.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27871;MM27871;COC=NOCOC;URBZQDZTDBVJML-UHFFFAOYSA-N;119.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27872;MM27872;C#CCOCCO;GHGCQQRMJCSIBQ-UHFFFAOYSA-N;100.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27873;MM27873;C#CCOCCF;USEAOCMVHIEIPG-UHFFFAOYSA-N;102.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27874;MM27874;C#CCOCOC;HWLHJDIDFDIRDN-UHFFFAOYSA-N;100.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27875;MM27875;C=CCCCC=O;USLRUYZDOLMIRJ-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27876;MM27876;C=CCCCC#N;UNAQSRLBVVDYGP-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27877;MM27877;N#CCCCC=O;FNEARBHZFXEPFD-UHFFFAOYSA-N;97.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27878;MM27878;N#CCCCC#N;ZTOMUSMDRMJOTH-UHFFFAOYSA-N;94.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27879;MM27879;C=CC(C#N)=NN(C)C;COYLNCKBJBYSTP-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27880;MM27880;N#CCCNC=O;LWUUXENGQFMODR-UHFFFAOYSA-N;98.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27881;MM27881;C#CCN(C=O)C=NC;KDJLFXHYBLNWOO-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27882;MM27882;C#CC(C=O)C(C)N(C)C;VVWLYEPULNHICJ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27883;MM27883;C=C(C)C(=C)C(=O)CNC;KZZAULOSDHMUDV-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27884;MM27884;C=COCCC=O;XJHQUUXFSTWOKS-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27885;MM27885;C=COCCC#N;YKNZKOHIKKTXPC-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27886;MM27886;O=CCCOC=O;AEJHEEJSPOVGGX-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27887;MM27887;N#CCCOC=O;KYQALBDQFKZTPO-UHFFFAOYSA-N;99.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27888;MM27888;NN=CC(=CF)OC=O;KGFUXENFYMPCAF-UHFFFAOYSA-N;132.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27889;MM27889;C=COCOC=C;DFFZYNIDEOOVAU-UHFFFAOYSA-N;100.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27890;MM27890;C=COCOC=O;UWVVXXKWSYVTRU-UHFFFAOYSA-N;102.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27891;MM27891;O=COCOC=O;PRJDJMAAFPHJFM-UHFFFAOYSA-N;104.06;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27892;MM27892;CCOC(C#N)=C(C)N;VPUHFWKQIBFCAD-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27893;MM27893;C=NN(C=O)C(=C)CF;YRYDOVPIXNZAHX-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27894;MM27894;C#CC(=NN)C(F)CF;JNWPXPUTPQDLFF-UHFFFAOYSA-N;132.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27895;MM27895;CC=NN(C=O)C=CC=O;SOTDXUNTJFAKJO-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27896;MM27896;C#CC(=NC)N(C=C)C=O;VQINTYHDDGYFEN-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27897;MM27897;C=CC(=C)C(=O)CNC;NVRAQEMVURQZFA-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27898;MM27898;CCN(C=O)N(C)CCF;LHNOFOJLSOIXCT-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27899;MM27899;C=COC=NOC;BUJKFSDPNQZWSC-UHFFFAOYSA-N;101.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27900;MM27900;CC(C=O)NCCCC=O;UAPYHWQYVFBAOM-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27901;MM27901;N#CCNNC=O;NTPUPUKPJDDLTQ-UHFFFAOYSA-N;99.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27902;MM27902;C=CCOCC=O;XRDSTTJQDAOSAZ-UHFFFAOYSA-N;100.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27903;MM27903;C=CCOCC#N;FWOOZWFDWXSHHM-UHFFFAOYSA-N;97.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27904;MM27904;O=CCOCC=O;RWGPAMBILZOZBK-UHFFFAOYSA-N;102.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27905;MM27905;N#CCOCC=O;WBERZUDVQVUPKK-UHFFFAOYSA-N;99.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27906;MM27906;N#CCOCC#N;TVPDDKXZHKJUPX-UHFFFAOYSA-N;96.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27907;MM27907;C=CCONC=O;RHBBATISXHQLDM-UHFFFAOYSA-N;101.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27908;MM27908;C=CNC=NNC(C)C;RFZKROXGXCCZSW-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27909;MM27909;N#CCONC=O;DKUNKFLINSKUFB-UHFFFAOYSA-N;100.08;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27910;MM27910;C#CCCCC=C;SPWJYVWGTHWHOX-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27911;MM27911;C#CCCCC#N;JZYKFLLRVPPISG-UHFFFAOYSA-N;93.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27912;MM27912;O=CON=CCCF;SDIHQBXHEPOLBZ-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27913;MM27913;CC(=CF)N(C=N)C=O;WPDZLAIFZIJQHT-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27914;MM27914;CC(C#N)NC(N)=CC#N;QGSYKTFQWWTOSL-UHFFFAOYSA-N;136.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27915;MM27915;C#CC(CO)(CC#N)NC;ZJVJLAARNIIBAW-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27916;MM27916;C=C(C)C(=O)C(N)=NOC;HGIUFUCXHFKFJL-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27917;MM27917;C#CCOCC=O;FSQFWBJQNKXEJF-UHFFFAOYSA-N;98.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27918;MM27918;C#CCOCC#N;YWAQAPAIGNRNSJ-UHFFFAOYSA-N;95.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27919;MM27919;C#CC(C=C)=NN(C)C=O;CAPDWDAIZSTZLL-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27920;MM27920;C#CCOCC#C;HRDCVMSNCBAMAM-UHFFFAOYSA-N;94.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27921;MM27921;CC(C#N)NC(C)C#N;DABJAQQQVTVZMF-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27922;MM27922;FC=CCCCF;VEZPFJNUDWDGMY-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27923;MM27923;CC(=O)N(C=N)C=CF;DMKZJIGYVDPGDS-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27924;MM27924;N#CC=C(CO)N=CNO;ZPAMMNZOKFNODR-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27925;MM27925;CC=NNC(=NN)NO;QQKFAMHKHSTROK-UHFFFAOYSA-N;131.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27926;MM27926;C=NN(C)C(=NN)NC;HSCPJZVMYFZXSL-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27927;MM27927;OCCCC=NO;AQYBVZUOCIRRQV-UHFFFAOYSA-N;103.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27928;MM27928;N#CC=C(N)C(N)=CC#N;XENPNXJAQKYKBL-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27929;MM27929;C#CC(=O)N(C=N)C=CF;GROORSPJBHNASL-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27930;MM27930;C#CC#CC(C#C)=NNC;BGWXGQBPYGKMNP-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27931;MM27931;CCNN=CNCCC#N;DLAJYPYPEYWYPE-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27932;MM27932;COCCC=NO;UJPOEFZIGXLDMP-UHFFFAOYSA-N;103.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27933;MM27933;C#CCON=COC;GZCMNSPXHOXQAQ-UHFFFAOYSA-N;113.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27934;MM27934;NN=CC(F)(F)C=NN;HDBPVDMSBDQJPL-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27935;MM27935;CC=NN(C)C(=NN)NO;QAEHLUINRGDPEG-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27936;MM27936;C=NOC(=O)C(=O)C=O;SZYVKHKXSFDKRJ-UHFFFAOYSA-N;129.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27937;MM27937;CCOCC=NO;CWHYLHUGGLZUOI-UHFFFAOYSA-N;103.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27938;MM27938;CN=CN(O)CC#CC=O;IEZVSMUZOLNPPZ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27939;MM27939;C=C(C#N)C(C#N)=C(N)N;AYWLFLUZQORKGM-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27940;MM27940;CCNC(C)(C#N)C#N;MMBLHMIWGHVXQC-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27941;MM27941;C=C(CF)C(=NN)NO;MMMWHFAFZRZINF-UHFFFAOYSA-N;133.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27942;MM27942;N#CC=C(N)NCC#N;QQARMFPEOLQLIN-UHFFFAOYSA-N;122.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27943;MM27943;C=NOC(C#N)=NOC;YYOZSCITIBFFMK-UHFFFAOYSA-N;127.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27944;MM27944;C=COCON=COC;VKKSVHYTDBITPO-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27945;MM27945;CC=NOC(=N)NCCO;CWSLBUDPFZSDEV-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27946;MM27946;CC=COCCC;NTXOAYYHJHJLCN-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27947;MM27947;C=NN=CN(C)OCOC;BQLPBVQGENMUEA-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27948;MM27948;CC=COCCO;FSDGGBSMJHFROK-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27949;MM27949;CCCOC=NO;QCVHPUCUHYBUDC-UHFFFAOYSA-N;103.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27950;MM27950;OCCOC=NO;OSARCHXWRGQIST-UHFFFAOYSA-N;105.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27951;MM27951;C#CCNC=NNC=NN;IHIQWGJXOYWUHK-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27952;MM27952;CC=COCOC;IMJCADJBSWXYAC-UHFFFAOYSA-N;102.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27953;MM27953;CNN=CC(=CF)OC=O;AIHWAJKEHPHLOY-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27954;MM27954;C#CC(C#CC=O)=NNC;ZZTWCXCZKXOHKH-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27955;MM27955;C=COCC(=NN)N(C)C;NXALCRCOELFQKP-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27956;MM27956;C=NN(C(=C)C)C(=O)OC;OPQIKTXUCSQWEI-UHFFFAOYSA-N;142.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27957;MM27957;O=CCCC=CF;HURFURIULRUIBV-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27958;MM27958;N#CCCC=CF;DWKPNUKUNWAFCT-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27959;MM27959;O=CCCC=NO;IMIQIAWDNPSPEJ-UHFFFAOYSA-N;101.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27960;MM27960;N#CCCC=NO;PYFSHISEEJLTIX-UHFFFAOYSA-N;98.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27961;MM27961;COCOC=NOC;XVUOUZKQXFRYCH-UHFFFAOYSA-N;119.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27962;MM27962;C=NN=C(C#N)ON=C;UGGDECZIQNHWKA-UHFFFAOYSA-N;124.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27963;MM27963;COCC=NN(C)C(C)=O;FHIQLMFECPTNNO-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27964;MM27964;C=COCC=NO;FTPXQHWBSNJSNI-UHFFFAOYSA-N;101.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27965;MM27965;C#CCOC=NOC;USFGJGHXRUTEJR-UHFFFAOYSA-N;113.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27966;MM27966;C#CC(=O)N(C)N=CC;KJCGJCFAGBQIOB-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27967;MM27967;C=CNC(CC=NN)=NN;KDAQOGGYTDWWOJ-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27968;MM27968;CON(C=CC#N)C(=N)N;PFOGNEHWRJRRPW-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27969;MM27969;C=CC(=N)N(C=O)N=C;IOJUPAMIVVZOHH-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27970;MM27970;N#CCNC=NO;HYMRNNKFMRMVIQ-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27971;MM27971;CC=NN=C(C)C=C(N)N;UUOFDNRRGYSJPV-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27972;MM27972;CNNC(=NOC=O)OC;HBKIWJXZEMMFRQ-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27973;MM27973;CCNNC(=NN)OCC;NICOGKYKGANVOP-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27974;MM27974;CCNC(=N)C(=NN)OC;QNAYLYHGJARLDC-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27975;MM27975;COC(=O)N(C)N=C(C)C;JDMVEVGXZLGNDU-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27976;MM27976;O=CCOC=CF;YBOSEYLQPLVONR-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27977;MM27977;N#CCOC=CF;YGWGLKDRCRRCHJ-UHFFFAOYSA-N;101.08;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27978;MM27978;O=CCOC=NO;NBGXXHNECXWTGR-UHFFFAOYSA-N;103.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27979;MM27979;N#CCOC=NO;RCGNQQQMHQKOKV-UHFFFAOYSA-N;100.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27980;MM27980;C=CCC(C#N)(C#N)NC;OKSJOKRNKYDLEM-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27981;MM27981;CC(=NC=NN)N(C)C=N;YIHRUNIHFNOCLV-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27982;MM27982;C=COC(C#N)=C(N)NC;NBIKQKHXXIDHNE-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27983;MM27983;C#CCCC=CC;OWWQSLQDQSMIDE-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27984;MM27984;C#CCCC=CF;WVTBCWFCNKWXIK-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27985;MM27985;C#CCCC=NO;RXLSIIBCXPWONQ-UHFFFAOYSA-N;97.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27986;MM27986;C=NN(C(=C)OC)C(C)=O;DVUHTDWWEVQIKU-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27987;MM27987;CC#CC(=O)N(C=N)C=N;HVMGHHKLAUEEHA-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27988;MM27988;C#CC=NNC(=N)CCN;DSSWCPZMOVECMZ-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27989;MM27989;COC=C(F)C=NN;SRPJXIYZTQEXRC-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27990;MM27990;C#CCOC=CC;MDNVLGJFADRLJJ-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27991;MM27991;C#CCOC=NO;IUIRIHZMYKRGFB-UHFFFAOYSA-N;99.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27992;MM27992;CC=NOC(=O)C=O;LJBVFMIJLVEGMT-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27993;MM27993;CC#CCCC#N;AVPJHYHHCKPMJC-UHFFFAOYSA-N;93.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27994;MM27994;CCC=NNC(=N)CCN;IXRDHMQVGAELMU-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27995;MM27995;CC#CCOC=O;KIGVCODOBDNAOA-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27996;MM27996;C#CC=NOCC#N;ODVVMIGTFKUBRV-UHFFFAOYSA-N;108.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27997;MM27997;C#CCCC#CC;FVXDNACXXMHWSB-UHFFFAOYSA-N;92.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27998;MM27998;C=CN(N=C)C(=O)C=O;ZYZXWOYQFKVJAK-UHFFFAOYSA-N;126.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM27999;MM27999;CCC(N)=C(C#N)OC;QLIKUKVJYBXUOQ-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28000;MM28000;NN=CCC=NO;DPRUOCRKGXHBFG-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28001;MM28001;C#CC(=O)N(N)C(=O)OC;HDADIGBBUASWBS-UHFFFAOYSA-N;142.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28002;MM28002;COC=C(C#N)C=NOC;PATQMWYNMHGQSO-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28003;MM28003;CNC(C=O)CC=CC=O;KHIMGSMONIRYTD-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28004;MM28004;C=NN(C=N)C(C)=O;WCYDWWDDKKDRSN-UHFFFAOYSA-N;113.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28005;MM28005;CCN(C=NNC)CC#N;AZZZZGXDBGKWHU-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28006;MM28006;C=CC(N)C(=C)OC=NO;QAGODDZUJGHNGP-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28007;MM28007;N=CN(C=N)C(C=O)=CN;IRCIBDYXSKLEID-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28008;MM28008;CNCC(=NO)C(C)C;BVJHQPQZUFHRST-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28009;MM28009;CC=COC=NO;YHNFUTQFFBIHTQ-UHFFFAOYSA-N;101.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28010;MM28010;CCCNC(C=O)CC#N;TZHFHSLXOLMUIY-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28011;MM28011;ON=COC=CF;ZNHIQUBPJBLSMX-UHFFFAOYSA-N;105.07;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28012;MM28012;N#CC(CF)=NNC=N;PEEKFEJBEWDSRQ-UHFFFAOYSA-N;128.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28013;MM28013;NN=COC=NO;LJZNYVCTXYKEFS-UHFFFAOYSA-N;103.08;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28014;MM28014;CC=NOC=NO;NZAYHIOILFPHMQ-UHFFFAOYSA-N;102.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28015;MM28015;CC#CCC=CC;WQJLVXFVPLIGBI-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28016;MM28016;CC#CCC#CC;CQHCAIMBXUVPQM-UHFFFAOYSA-N;92.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28017;MM28017;C=CC(=O)N(C=N)N=C;UKXCHRKNBFIQOI-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28018;MM28018;C=CC=CC(CNC)=NO;UHBLFTJONOLHDC-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28019;MM28019;OCC=CCCO;YWZHEUFCDPRCAD-UHFFFAOYSA-N;102.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28020;MM28020;COC=CCCO;YDPAERSGZVXTDS-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28021;MM28021;C=NN=COC=NN(C)C;NMUOGMXPCYKXBG-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28022;MM28022;CC=NN(CC#N)C(C)=O;HNLLEIIQVZHASR-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28023;MM28023;CC=NN(C=O)C(C)C#N;RKLFRDYRSPRGSN-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28024;MM28024;COCC=CCO;JWAVFTBBSAZCCU-UHFFFAOYSA-N;102.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28025;MM28025;COC=CCOC;AEXFUDAPASFOSW-UHFFFAOYSA-N;102.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28026;MM28026;CNN(C(C)=O)C(=O)C#N;GNFUXGLVGULFTJ-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28027;MM28027;N#CC#CC(C#N)=C(N)N;YZSLPUPAOGZURT-UHFFFAOYSA-N;132.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28028;MM28028;C=NN(C=O)C(C)=N;VKRWRQPCBNHKLX-UHFFFAOYSA-N;113.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28029;MM28029;COCC(C#N)=NNC=N;KFZVKIQEIJHMSY-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28030;MM28030;CNN=CC(F)=COC;RJIHQLFOJVFDJR-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28031;MM28031;CON=CC(C#N)OC;UDENOTCMEHEVIO-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28032;MM28032;C=COCOC=NOC;MKJXBBWKXLBWNN-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28033;MM28033;CN(CC#N)C(N)=CC#N;AFYIWIVZWSZPEC-UHFFFAOYSA-N;136.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28034;MM28034;C=NOC=NOC(=O)C#N;QSGAGQATRNSUJO-UHFFFAOYSA-N;141.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28035;MM28035;CNN=CC#CC(=O)C#N;DVNSJWABEDEQNH-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28036;MM28036;CN(CCF)N=CC=NN;BKXUYDYCRMQAMD-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28037;MM28037;C#CC=NOCOCC#N;ZQPGWJQTMNBIQM-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28038;MM28038;CCOC=CCO;FFFFSZZSKAPCCL-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28039;MM28039;C=CC(C#N)=NNC=N;RZDSLPIIXRPACX-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28040;MM28040;CON=CC=NOCC#N;DBZVKGOHZPYUPZ-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28041;MM28041;N#CCN(C=N)C=O;OYGAQCLDOSMVFG-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28042;MM28042;C#CC=CC(=N)NN=C;ZFWZEICMLVVKOO-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28043;MM28043;CC(C#CCN)=NO;GOJRVSMHVSBWSG-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28044;MM28044;C=CC(=O)C=NN(C)C;KDGWXDXLCVVODB-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28045;MM28045;COC=NOC(C)OC;LLKJBSYPQCITGK-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28046;MM28046;C#CC(=O)N(C=N)C=N;SSXQOXSSXKWTSD-UHFFFAOYSA-N;123.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28047;MM28047;N#CC=CCCO;HIHLTZWMAUOGHM-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28048;MM28048;C=CC=CCCF;HUQCCADTOWEHFQ-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28049;MM28049;C=NN(C=O)CC#N;PEGSQPSTSIWXBX-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28050;MM28050;C=COC=NOCC;ASVFBIAIIGJNKA-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28051;MM28051;COCC=CC=O;RTECOMVXMVKIAE-UHFFFAOYSA-N;100.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28052;MM28052;C=C(OC)C(N)=CC#N;AILPYPDPBSPIFF-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28053;MM28053;CCOC=NOCOC;HPQNJCVZEHJKQY-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28054;MM28054;C=NOC(=O)COCC#N;AFSSQSYZSZISDN-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28055;MM28055;CCNC=CC=O;UAHXAGZQAXKUNS-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28056;MM28056;CN=CN(C=O)C=COC;RBDMFJHJAVOZBP-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28057;MM28057;CC(C#N)CNC(C)C=O;OFKZZQLQDBVOSZ-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28058;MM28058;CNN=CNC=O;IGXDHIFUTHUPTG-UHFFFAOYSA-N;101.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28059;MM28059;CN(C)C=NOC=NO;NEEDLQAIRCJCNN-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28060;MM28060;COCON=C(C)CF;NUJNCCADONLXOE-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28061;MM28061;CON=CNC=O;RAKYJMCRZOLUBZ-UHFFFAOYSA-N;102.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28062;MM28062;C=CC(=O)C(N)=NOC;WYGHRGAPWOCSQA-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28063;MM28063;C#CC(C)(N)C(=C)C=NO;POIOXIJZGCPBOP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03051;MM03051;CCNN=CC#N;BSSFDEZFMOWJMX-UHFFFAOYSA-N;97.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28064;MM28064;C=NN(C=O)C=CCF;ANEFPTNQUSBZCU-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28065;MM28065;CCC=CCC=O;GXANMBISFKBPEX-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28066;MM28066;O=CCC=CCO;LCYNOYQBOKATIS-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28067;MM28067;N#CCC=CCO;WPVGCOZUWLMELF-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28068;MM28068;N#CCC=CCF;VLNJOWMLVYYFDI-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28069;MM28069;C=CCC=COC;QLXKUXWPUMUPLO-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28070;MM28070;COC=CCC=O;VRNWWCFSURNYPY-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28071;MM28071;COC=CCC#N;XBKIYEQSJDSIMC-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28072;MM28072;CC(C)NC(C)(C#N)C#N;JVAUQEUTONCNCQ-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28073;MM28073;C#CCC(=NO)N(N)C=N;GAPYYDSAZGIQDX-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28074;MM28074;CNN(C)C=NN=CC#N;CMNUXNDWPYJJIT-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28075;MM28075;C=C(C)C(=O)C=NN(C)C;NXYLDMDGJJBUFG-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28076;MM28076;CN(C=O)N=CC=CC#N;NJYGKMLNDUFLEC-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28077;MM28077;C=CN(C=NC)C(=O)OC;VXYPEMMUCLPAOL-UHFFFAOYSA-N;142.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28078;MM28078;C=NOC(=O)CF;LRUGPPVELXDFSL-UHFFFAOYSA-N;105.07;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28079;MM28079;COC=CNC=O;IUJCFVSANCVDSA-UHFFFAOYSA-N;101.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28080;MM28080;C#CC(C#C)=NOC;QRMANRMRXAFAIS-UHFFFAOYSA-N;107.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28081;MM28081;CC(C#N)NC(C)(C)C#N;IOBRUXHHKITUJO-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28082;MM28082;C=COC=CCO;SKKOFTUKUCUPGO-UHFFFAOYSA-N;100.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28083;MM28083;C=COC=CCF;KDMZEIWZAONEJE-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28084;MM28084;O=COC=CCO;JWOZDENIUTWFJH-UHFFFAOYSA-N;102.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28085;MM28085;C=COC=COC;SCPMIUNIFAYUJJ-UHFFFAOYSA-N;100.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28086;MM28086;COC=COC=O;ZYPBFSHXMUOHHT-UHFFFAOYSA-N;102.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28087;MM28087;N#CCN=C(CO)NC=N;RJRVFLNYOTURKK-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28088;MM28088;C#CC(F)C(O)C#CCN;MXFVWWWLINNZNT-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28089;MM28089;C=COC(C)ON=COC;YTLYUUIOCAYNAG-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28090;MM28090;C#CC(=O)N(C)N=CCC;IKCHAZHYZMUGIR-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28091;MM28091;CON=CC(=CC#N)OC;VSSKHWNYUUTGOA-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28092;MM28092;O=CNN=CCF;WCXBKNSZXMLQLW-UHFFFAOYSA-N;104.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28093;MM28093;COC=NNC=O;XZZMOGXXMOPPLV-UHFFFAOYSA-N;102.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28094;MM28094;C=CC(=N)N(N=C)C(C)=O;CWEHUQYIRQUOMZ-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28095;MM28095;C=CC=NN(C=O)C(C)=N;VDEHVHBISSLWOE-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28096;MM28096;C=CC(=O)NN=CCNC;RBXKFPUPHPFBDP-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28097;MM28097;C#CC#CC(C#N)=C(N)N;XCGXDORLWAKVQT-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28098;MM28098;C=CC=CCC=O;GDUZWSJMBFTHOC-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28099;MM28099;N#CCC=CC=O;HXLUGJCPSMZENL-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28100;MM28100;N#CC=CCC=O;HBZGFMULQORGJP-UHFFFAOYSA-N;95.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28101;MM28101;N#CC=CCC#N;UVNWMIHXIIMNHU-UHFFFAOYSA-N;92.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28102;MM28102;C=NN=CCC#N;UPGOTCNKYFPVCA-UHFFFAOYSA-N;95.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28103;MM28103;CCOC(N)=C(C#N)OC;UBZFHWHAOYSPID-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28104;MM28104;O=CC=CNC=O;GETWQVYZYYCPDS-UHFFFAOYSA-N;99.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28105;MM28105;N#CC=CNC=O;WKEDYWAUBJFURU-UHFFFAOYSA-N;96.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28106;MM28106;CC(C)C(=N)NC(N)=O;VTUAZQBJXBMRAK-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28107;MM28107;C=CCN(C)N=CC=O;DKOSNZUEZZJOFG-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28108;MM28108;C#CCNCC(C)(O)C#N;OJTULJKOZMZABR-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28109;MM28109;C=NN=CNC=O;GNWOTQVGXFLIOR-UHFFFAOYSA-N;99.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28110;MM28110;C=CC=COC=C;XWQDFIQAMHLXQX-UHFFFAOYSA-N;96.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28111;MM28111;C=COC=CC=O;CUDNQYVSFRHKHI-UHFFFAOYSA-N;98.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28112;MM28112;C=COC=CC#N;LUQDMWQBIICVDC-UHFFFAOYSA-N;95.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28113;MM28113;O=CC=COC=O;YYXCCRHVTNYCID-UHFFFAOYSA-N;100.07;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28114;MM28114;N#CC=COC=O;YMPGCGHIOGLGHP-UHFFFAOYSA-N;97.07;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28115;MM28115;CNN=C(C)C#CC#N;PYOFVZKQVFVGFQ-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28116;MM28116;CON=COCCCF;UTXQPLUTPZBGAB-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28117;MM28117;CC(C)(F)C(O)C#CCN;GPMUKPFLNNTQOL-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28118;MM28118;C=NNC(=NNC=N)NO;XGYFYZZIYUOVMT-UHFFFAOYSA-N;144.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28119;MM28119;CCC#CC(O)C(F)CN;PNRGBUSNRXCAEB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28120;MM28120;C=NN=C(NO)N(N)CC;XLTHYCFDYDSNRB-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28121;MM28121;O=CC=NNC=O;LLHDUVCZXKESIW-UHFFFAOYSA-N;100.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28122;MM28122;N#CC=NNC=O;KEIQVHOASIBXFZ-UHFFFAOYSA-N;97.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28123;MM28123;CCOCON=COC;CNDSPFIIOPPWCT-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28124;MM28124;C=C(C#N)OC(N)=CC#N;HTUHAJXCQQADMN-UHFFFAOYSA-N;135.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28125;MM28125;N#CC=NOC=O;YNUHPAWBZQNPQN-UHFFFAOYSA-N;98.06;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28126;MM28126;C#CC=CCC=O;LXUQHKNAWKCNTA-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28127;MM28127;C#CC=CCC#N;WMGLTPNVFLLPRI-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28128;MM28128;C=CC(=O)C=NN(C)CC;IQPZJSRUSROYAI-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28129;MM28129;C#CC=CNC=O;GVHJQOYGRRPNDF-UHFFFAOYSA-N;95.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28130;MM28130;C#CC=COC=C;MPPONYQNSAJLCR-UHFFFAOYSA-N;94.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28131;MM28131;CC(F)C(O)C#CCN;WIDUVADZYYBCOP-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28132;MM28132;CC=NN(C=O)C=COC;BFXOTQRFPUEYCS-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28133;MM28133;C#CCC=CCF;XBBBIQCRWMZUQD-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28134;MM28134;C=C(C)N(C=N)C(=O)C#N;STBFNAWIXZCFQT-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28135;MM28135;C=CC(OC)OC=NOC;MSCWUCRMFZJAFW-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28136;MM28136;C#CCC=CC=O;ZTKPSLOXENPEST-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28137;MM28137;C#CCC=CC#N;QFZYBYOAEVESOD-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28138;MM28138;C=NOC(=O)OC;IGSUVAOXESVZKU-UHFFFAOYSA-N;103.08;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28139;MM28139;C#CC=CCC#C;JMEATQFMNNQPDY-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28140;MM28140;CC=CC=CCC;XTJLXXCARCJVPJ-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28141;MM28141;OCC=CC=CF;LOUSHQLTICDLPB-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28142;MM28142;CC#CC(O)C(F)CN;WRXCAGCCZGGFFZ-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28143;MM28143;C=NOC(=O)ON=C;HXHYZNZAYBGTKO-UHFFFAOYSA-N;116.08;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28144;MM28144;ON=CC=CCF;MDNUDIDLWGXUDT-UHFFFAOYSA-N;103.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28145;MM28145;CCON=COCOC;GYDCQRNXYSVMJQ-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28146;MM28146;CN=C(NN)C(O)CF;MWONSPOLTRJCGM-UHFFFAOYSA-N;135.14;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28147;MM28147;CC(F)(C#N)C(C#N)=CN;JTBRTLAIESIABK-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28148;MM28148;COC=CC=NO;GDOUULSMESQJGA-UHFFFAOYSA-N;101.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28149;MM28149;CC(=NN(C)C)N(C)C=O;PDGCACKETXDZRF-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28150;MM28150;CC=NOC(=O)ON=CC;QKZRHDBDMMNYBY-UHFFFAOYSA-N;144.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28151;MM28151;CCOC(C#N)=C(N)OC;NAQTVFVLWLMHBJ-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28152;MM28152;C#CCC(C)(O)C#CCN;MESSSEULVBUGER-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28153;MM28153;C#CC=CC(O)C#CCN;QYKRNXXHUHKVGX-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28154;MM28154;CON=CC=NO;IOQHQFCXYDXYLX-UHFFFAOYSA-N;102.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28155;MM28155;C#CC(N)=C(C#N)CC#N;LALCXSLRLPEGDP-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28156;MM28156;CC=NN=CCO;VVPZOMFUSAQLOD-UHFFFAOYSA-N;100.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28157;MM28157;CON(C=O)C(N)=CC#N;LXFNNZNVSYCBND-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28158;MM28158;C=CC=CC=CF;ZQXWZCUXRUTADW-UHFFFAOYSA-N;98.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28159;MM28159;O=CC=CC=CF;FQKSUOCVVWNWTO-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28160;MM28160;N#CC=CC=CF;RJQKQTPTBUALIZ-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28161;MM28161;CNN=CC#CC#N;PLNPWENKRKSZTR-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28162;MM28162;O=CC=CC=NO;PNFXXDHGEVEBHH-UHFFFAOYSA-N;99.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28163;MM28163;N#CC=CC=NO;DFRKXQRIEKLIID-UHFFFAOYSA-N;96.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28164;MM28164;CNN=CC(F)=CC=O;MFKGOSJHLHIIIC-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28165;MM28165;C=NN=CC=NO;YJBYSQXZYPEXKC-UHFFFAOYSA-N;99.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28166;MM28166;CON=COC(C)OC;CGYQOSGQEJNGFQ-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01566;MM01566;CC=NN=CC#N;MIMFAAQGCHMQTQ-UHFFFAOYSA-N;95.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28167;MM28167;C#CC=CC=CC;VLAGMKGPGPGGSF-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28168;MM28168;C#CC=CC=CF;YNISHRVRBWJDRA-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28169;MM28169;COC(N)=C(C#N)OC;OPCFMGFUSXCVFM-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28170;MM28170;C#CC=CC=NO;JFWGKRULIIFEFR-UHFFFAOYSA-N;95.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28171;MM28171;C#CC=NN=CC;SGVSXUJJOYNCEB-UHFFFAOYSA-N;94.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28172;MM28172;CC#CC=CCO;FOQPBGTTZIKXSH-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28173;MM28173;N#CC=C(N)C=C(F)C=O;AXDZPVKATAQQOM-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28174;MM28174;CCCC(C#N)(C#N)NC;OPZJCPRTPAQDOO-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28175;MM28175;C=CC=CC#CC;XJBLZBLYGQUHFV-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28176;MM28176;CC#CC=CC#N;BWKXQPRHKQXRFB-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28177;MM28177;C#CC=CC#CC;OOAZGZUNRJOUDD-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28178;MM28178;CCC#CCCC;KLYHSJRCIZOUHE-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28179;MM28179;CC=NOC(=O)CCC#N;MJFOBMNRWJTOOK-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-2-yn-1-ol;MM01699;CCCC#CCO;BTDWSZJDLLLTMI-UHFFFAOYSA-N;98.15;0.78;69818;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28180;MM28180;CCCC#CCF;VGQPDPHUCNYTQK-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28181;MM28181;C=NN=CN(C)OCC#N;JSTUZBUAVPUZIJ-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28182;MM28182;COCCC(=NOC)OC;IJOGZRWCFYIPQB-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28183;MM28183;C=NN(C=O)C(C=O)=CC;ZDENMOPNPBABGW-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28184;MM28184;CCC#CCCO;ODEHKVYXWLXRRR-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28185;MM28185;CC(C)C(C)(O)C#CCN;ADKBHAXRQKEIOH-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28186;MM28186;OCC#CCCO;SZWKNRJTDDXCTC-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28187;MM28187;OCCC#CCF;LOJBXYWQSWGFRV-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28188;MM28188;C=CC(=NC)N(C=O)N=C;LBLFVDVHSDWGSQ-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28189;MM28189;C=NN(C=O)CC#CC=O;MLCYRWBPNYHTDS-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28190;MM28190;C=C(C=O)C(N)=CC#N;MWCKPAUOOMWMMK-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28191;MM28191;CCC#CCOC;GQPDDMOYMZWLIL-UHFFFAOYSA-N;98.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28192;MM28192;CN(C)C(CF)=NC=O;AZTHNBARWIZAKE-UHFFFAOYSA-N;132.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28193;MM28193;COCC#CCO;HRWVUBRSPSCZAZ-UHFFFAOYSA-N;100.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28194;MM28194;COCC#CCF;YUWDGEDPJSKZTE-UHFFFAOYSA-N;102.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28195;MM28195;C=CC#CCCC;NKFFXBOEFRCFFG-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28196;MM28196;CCCC#CC=O;IUPHFACLDYMBNL-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28197;MM28197;CCCC#CC#N;INVGOSUVGOZKSG-UHFFFAOYSA-N;93.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28198;MM28198;C=NN(C(C)=N)C(C)=O;QPWABTYRRGBCGQ-UHFFFAOYSA-N;127.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28199;MM28199;C=CC#CCCO;WNMUESKTGKNUAM-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28200;MM28200;O=CC#CCCO;CUAIDPJPWFKBMW-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28201;MM28201;N#CC#CCCO;ROQTYQQFZQHWAM-UHFFFAOYSA-N;95.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28202;MM28202;C=CC#CCCF;LRHRJORNTFRKAG-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28203;MM28203;N#CC#CCCF;SMMWZVHJGGWAIA-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28204;MM28204;COC(C)=NN(C)CC#N;QDFQZIZQASYTDQ-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28205;MM28205;C=NN(C=O)C(=N)C(=C)C;DVKONCMCWLKCAP-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28206;MM28206;C#CC(=O)N(N)C(=O)C#C;CNXAANYJFIPGLV-UHFFFAOYSA-N;136.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28207;MM28207;C=CC#CCOC;JGNHPFJZWKPIQR-UHFFFAOYSA-N;96.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28208;MM28208;COCC#CC=O;LIJTXPHGQSEIGB-UHFFFAOYSA-N;98.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28209;MM28209;COCC#CC#N;VJDALUMUZRRDJQ-UHFFFAOYSA-N;95.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28210;MM28210;C#CC#CCCC;SVPXILQIPWCHSK-UHFFFAOYSA-N;92.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28211;MM28211;C#CC=NOC=NN=CC;CYTAXHVPZWXNTI-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28212;MM28212;C#CC#CCCO;XYSUTJMIBXBTEZ-UHFFFAOYSA-N;94.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28213;MM28213;C#CC#CCCF;XSGKEWUXBUBERJ-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28214;MM28214;C=NOC(=O)C(=O)OC;NANNMQLZQLSVOM-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28215;MM28215;C#CC#CCOC;QEYXWAXAOMNKHM-UHFFFAOYSA-N;94.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28216;MM28216;C=CCC#CCC;MXAOTVQVMJKVGP-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28217;MM28217;C#CCOC=NOCC;SKGYWEJXVFNLHS-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28218;MM28218;C=CCC#CCO;KSOMTIQGBYHOJM-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28219;MM28219;C=CCC#CCF;VOODETXVXXRQLA-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28220;MM28220;CCC#CCC=O;SVLWJKVZOYJHOY-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-3-ynenitrile;MM01984;CCC#CCC#N;AGLKIDMIAPIRJL-UHFFFAOYSA-N;93.13;1.31;54493752;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28221;MM28221;O=CCC#CCO;MFLUOHWWJZTNBI-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28222;MM28222;N#CCC#CCO;GTADJRJGQVSORJ-UHFFFAOYSA-N;95.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15956;MM15956;N#CCC#CCF;BAVKQVUUFRPRHB-UHFFFAOYSA-N;97.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28223;MM28223;C=CC#CCC=C;PNMYNXREEKCUGV-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28224;MM28224;C=CCC#CC=O;CRQBSSGCRLPREB-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28225;MM28225;C=CCC#CC#N;VYSHKRDXBXWSHW-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28226;MM28226;C=CC#CCC=O;CVZJDCFQGONWBL-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01986;MM01986;C=CC#CCC#N;QGVVBPUVRRZOGQ-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28227;MM28227;O=CC#CCC=O;ZZFGOXUJEWVHQL-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15762;MM15762;N#CCC#CC=O;KZCBWRYNOUETPS-UHFFFAOYSA-N;93.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28228;MM28228;N#CC#CCC=O;JELBNMCWVYIRBW-UHFFFAOYSA-N;93.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28229;MM28229;N#CC#CCC#N;NUCLNYRBAIRVEY-UHFFFAOYSA-N;90.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28230;MM28230;C#CC#CCC=C;XFEGAFDWMAGRPI-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28231;MM28231;C#CC#CCC=O;VLAIHSOTIMXKOE-UHFFFAOYSA-N;92.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hexa-3,5-diynenitrile;MM01818;C#CC#CCC#N;YWMSNAONANTTIA-UHFFFAOYSA-N;89.1;0.54;102015997;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28232;MM28232;C#CCC#CCC;DQXFCUYDQCXRJI-UHFFFAOYSA-N;92.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28233;MM28233;C=COC(C)OC=NOC;NNCDQQMCODYVLW-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28234;MM28234;C#CCC#CCO;SIEPANZCUNTIDB-UHFFFAOYSA-N;94.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28235;MM28235;C#CCC#CCF;LWZJAWVHJWGELW-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28236;MM28236;C#CCC#CC=C;YSXKMHSDAWROIC-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28237;MM28237;C#CCC#CC=O;KIEZDEUFCAASBA-UHFFFAOYSA-N;92.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28238;MM28238;C#CCC#CC#N;DPBYERVDRDOIAB-UHFFFAOYSA-N;89.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28239;MM28239;C#CC#CCC#C;UGTRVSIOBOSSOF-UHFFFAOYSA-N;88.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28240;MM28240;CC=CC#CCC;SXMXMYYLWULGGN-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28241;MM28241;N#CC=CNC(N)=CC#N;IARXFVREGVRVLD-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28242;MM28242;CC=CC#CCO;DXKRJONIAOSLSZ-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28243;MM28243;CC=CC#CCF;OEKVAGGGVCWWQF-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28244;MM28244;OCC#CC=CF;LANYWGCGKDVMQO-UHFFFAOYSA-N;100.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28245;MM28245;CON=CC(C)(C#N)OC;VLMXGKHRJMDJTH-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28246;MM28246;CC(C)=CC(O)C#CCN;XMQIYXOYOMHRSC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28247;MM28247;CCC(C#N)NC(C)C#N;UNUBPRDNRISXGO-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01852;MM01852;CCC#CC=NO;YNDIICWFFCPFRB-UHFFFAOYSA-N;97.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28248;MM28248;C=CC(O)C#CCN;OVKJVXLTJQDVAM-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28249;MM28249;ON=CC#CCF;DZLVGXVGWJPVMT-UHFFFAOYSA-N;101.08;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28250;MM28250;C=CC#CC=CC;AIKGMUZHUHXBCF-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28251;MM28251;CC=CC#CC=O;SAAFYMMYZYHXMY-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28252;MM28252;CC=CC#CC#N;DXQOVEZSEHRJQJ-UHFFFAOYSA-N;91.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28253;MM28253;C=CC#CC=CF;HJAQCYIJEOBCSI-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28254;MM28254;N#CC#CC=CF;NWAZUAGNEJQOPJ-UHFFFAOYSA-N;95.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28255;MM28255;COCC(C#N)=C(N)CF;RCPUZSUNSVUAFX-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28256;MM28256;C=CC#CC=NO;WBQWTMHPHFTEJR-UHFFFAOYSA-N;95.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28257;MM28257;O=CC#CC=NO;AVJGKXHOVIJRLV-UHFFFAOYSA-N;97.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28258;MM28258;C#CC#CC=CC;TXJLPLPBOFYCNP-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28259;MM28259;C#CC#CC=CF;SPXLRTUFEULPLX-UHFFFAOYSA-N;94.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28260;MM28260;CNC(=CC#N)COC=O;IUTNEXUBLKUBFK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28261;MM28261;C#CC#CC=NO;SGPPACFRUTWSIU-UHFFFAOYSA-N;93.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28262;MM28262;CC#CC#CCC;DQJZFWMRHGIQRQ-UHFFFAOYSA-N;92.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28263;MM28263;C=C(C#N)N(C=O)C(C)=N;LQGQCISXMSQJIE-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hexa-2,4-diyn-1-ol;MM01688;CC#CC#CCO;OVNDGPBXVBJISI-UHFFFAOYSA-N;94.11;0.01;12642063;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28264;MM28264;CC#CC#CCF;FFZCRSWDDMFLNY-UHFFFAOYSA-N;96.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28265;MM28265;C=CC#CC#CC;GDSWHFDAAUWLLE-UHFFFAOYSA-N;90.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28266;MM28266;CC#CC#CC=O;XLZNMAFBLLQIAZ-UHFFFAOYSA-N;92.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28267;MM28267;CC#CC#CC#N;KPEAXUODRYGJCC-UHFFFAOYSA-N;89.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28268;MM28268;C#CC#CC#CC;RZZZNMYNZMTPRN-UHFFFAOYSA-N;88.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28269;MM28269;C=CC1CC1CC;ZZQMUGBEPMFCOM-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28270;MM28270;CCC1CC1C#N;UPCVNEOXSOUTMP-UHFFFAOYSA-N;95.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28271;MM28271;COC=CN(C=O)N(C)C;INJKZWFRZQTQEN-UHFFFAOYSA-N;144.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28272;MM28272;C=COCOC=NOCC;LQYZHEXUHWRSOJ-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28273;MM28273;C#CC1CC1CC;OIWUYOCLQJOOTI-UHFFFAOYSA-N;94.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28274;MM28274;COCC=NOC=NOC;PVVRFBYHNLDPJN-UHFFFAOYSA-N;146.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28275;MM28275;N#CC(=CN)C(F)C#N;AJXGZQFVSNURSW-UHFFFAOYSA-N;125.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28276;MM28276;C=CC1CC1C=C;UEYYOGFVPAORCH-UHFFFAOYSA-N;94.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28277;MM28277;N#CC1CC1C#N;DOZSZLXBEATOMQ-UHFFFAOYSA-N;92.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28278;MM28278;N#CC1NC1C#N;SOIYHVPPYLXHNS-UHFFFAOYSA-N;93.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28279;MM28279;C=CC1OC1C#N;CJIMBBMZVOJGOV-UHFFFAOYSA-N;95.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28280;MM28280;N#CC1OC1C#N;OCNCPWDJFLOERA-UHFFFAOYSA-N;94.07;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28281;MM28281;C#CC1CC1C#N;CIYMGXOHJIKCCI-UHFFFAOYSA-N;91.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28282;MM28282;C#CC(N)=C(C#C)C#N;HSNQVQRUZBQYGX-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28283;MM28283;CCOCOC=NOC;OXDSUJBEEVLCDA-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28284;MM28284;C#CC1OC1C=C;PALXUKGGQAYKFP-UHFFFAOYSA-N;94.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28285;MM28285;C#CC1OC1C#N;TTYKBHXCNCFTQB-UHFFFAOYSA-N;93.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28286;MM28286;CON=COC=NN(C)C;AGQAKZUJSWMVCH-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28287;MM28287;C=NOC(=O)N(C)CC#N;CLQKVJSMYBAUMG-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28288;MM28288;C#CC1CC1C#C;WFICLMYHCKJIFK-UHFFFAOYSA-N;90.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28289;MM28289;C=NN(C=N)C(=O)C(=C)C;JKGVVRJFADQFOG-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28290;MM28290;C#CC1OC1C#C;ODHGCKRSONEWGS-UHFFFAOYSA-N;92.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28291;MM28291;C=CCC(C)(O)C#CCN;NDUIOEOVIYPRAW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28292;MM28292;ON=c1occo1;KHZWCKLAIRXUBW-UHFFFAOYSA-N;101.06;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28293;MM28293;NN=c1onno1;LPJAQFIDIXHTDF-UHFFFAOYSA-N;102.05;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28294;MM28294;C#CC=CC1CC1;WUFRYDBTOOPVGA-UHFFFAOYSA-N;92.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28295;MM28295;C=NOC(C#N)(C#N)OC;ARWMUIRPFBCMHI-UHFFFAOYSA-N;139.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28296;MM28296;C=CC#CC1CC1;NBOTZQZJSOKWDM-UHFFFAOYSA-N;92.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28297;MM28297;N#CC#CC1CC1;FHFHWRSVWBEJNN-UHFFFAOYSA-N;91.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28298;MM28298;C=NN(C=O)C=NN(C)C;BGZIDIIOVTZSNS-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28299;MM28299;CC=NOC(=O)COC=O;JLJNJHJLSJCTRA-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28300;MM28300;N#CC#CC1CO1;FEGRGWBKYGCSIJ-UHFFFAOYSA-N;93.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28301;MM28301;C#CC#CC1CC1;HMJUPFBYWSAYRW-UHFFFAOYSA-N;90.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28302;MM28302;C=C(C#N)N(C)C=NC=O;JXNXFIPWNOFTJY-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28303;MM28303;C#CC#CC1CO1;SXXXZACBBRTFED-UHFFFAOYSA-N;92.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28304;MM28304;CC1C(C)C1C#N;FJZDFUMWGKQMMT-UHFFFAOYSA-N;95.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28305;MM28305;C#CC(=NOC=O)ON=C;KNMDZNODMFBIMH-UHFFFAOYSA-N;140.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28306;MM28306;CON=C(C)C(OC)OC;XUGKNJYLKSWWPI-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28307;MM28307;CCN(C)N=CC=O;YMSXNHGMXYHOOG-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28308;MM28308;C=CC(C=O)=NOC;MIQHIWLGFGQXQV-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28309;MM28309;C#CC1C(C)C1C;RDZDFHZGZMOLNF-UHFFFAOYSA-N;94.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28310;MM28310;C=NOC(=O)C=CC#N;MZRHLGQLQDIKCH-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28311;MM28311;C=NN(C=O)C(C)=NC;OUOSIYYJGFJIAW-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28312;MM28312;C=C(C)C(=NN)N(O)C=N;CXEKBVMNIWZXLI-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28313;MM28313;N#CC(C#CC=O)=CN;KQVJFRNMNBUMJZ-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28314;MM28314;CON=CC=NOC=O;LHSJPJQOAKKRMJ-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28315;MM28315;CCC(C)(O)C#CCN;AJOHZNWQDUFBHC-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28316;MM28316;CC(O)CC(C)(C)O;SVTBMSDMJJWYQN-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-fluoro-2-methylpentan-2-ol;MM01747;CC(F)CC(C)(C)O;ZFXICXAHZZJUTI-UHFFFAOYSA-N;120.17;1.51;19083207;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28317;MM28317;C=NN(C=CC)C(=O)C=O;SDWIOHTWPDPYTE-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28318;MM28318;CN(C)C(=NO)N(C)C;ONAMDBWIEHGDCK-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28319;MM28319;C=CC(=O)N(N=C)C(C)=N;YHUJPCSUWQGKNE-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28320;MM28320;C=NOC(=O)C=O;GPANVDIMNBJHLC-UHFFFAOYSA-N;101.06;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28321;MM28321;CN(C)C(C#CC#N)CO;SLHCJUVLMZTWQJ-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28322;MM28322;CC(C)(O)CC(N)=O;QHNHAWNULKRVMJ-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28323;MM28323;CC(C)(O)CC(=O)O;AXFYFNCPONWUHW-UHFFFAOYSA-N;118.13;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28324;MM28324;CC(C)(F)CC(N)=O;LUNUBFAAAQKCDR-UHFFFAOYSA-N;119.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28325;MM28325;C=NN(C=NC)C(C)=O;PKFYUYSKTKHWSX-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28326;MM28326;C=C(C)CN(C)N=CC=O;CYQVILSDYRVIKX-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28327;MM28327;NC(=O)CC(F)(F)F;MZBSJLAGBUNNLH-UHFFFAOYSA-N;127.07;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3,3,3-trifluoropropanoic Acid";MM03370;O=C(O)CC(F)(F)F;KSNKQSPJFRQSEI-UHFFFAOYSA-N;128.05;1.02;2777972;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28328;MM28328;CC(F)(C=O)C(N)=CC#N;NKKHBKHNMQXZRL-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28329;MM28329;CC(C)(C)NC(N)=O;JLEHSYHLHLHPAL-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28330;MM28330;CC(C)(C)OC(N)=O;LFKDJXLFVYVEFG-UHFFFAOYSA-N;117.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28331;MM28331;CCNN=CC(F)=COC;KLZJEAVGLAWNDM-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28332;MM28332;C#CCN(N=C)C(=O)OC;MEGUFNPLPGFRBN-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28333;MM28333;C=CN(OC)C(C#N)=NC;IBSMUSCCLIYJOM-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28334;MM28334;C#CC#CCN(C=O)N=C;OZZFNXAFLXXEGL-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28335;MM28335;C=NOC(=O)ON=CC;GMLGUGABUWHYCI-UHFFFAOYSA-N;130.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28336;MM28336;CCN=C(CC#N)NO;SSMRNEZOFAZNMK-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28337;MM28337;CN(C=O)N=CCCC#N;YIPXQWZGGHGABG-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28338;MM28338;C=CCN(OC)C(=N)C#N;LQHDAVMRHSZUST-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28339;MM28339;COC(=N)C=C(C=O)NO;XVVFLMFAFKMOTB-UHFFFAOYSA-N;144.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28340;MM28340;CC(CO)C(C)(C)O;ITZWYSUTSDPWAQ-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28341;MM28341;CCN(C)C(=NO)N(C)C;ALAPBSMWDXJSJT-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28342;MM28342;CCC(O)C(C)(C)O;GSQFUEPQVUSAPE-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28343;MM28343;CC(C)(O)C(F)CO;AZYDACHYLHKNLG-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28344;MM28344;CC(=NC(=N)CO)NC=N;PNPWCOXLYRFBQN-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28345;MM28345;CC(C)=CN(O)C(=N)NO;YSGQLFKITKIYAX-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28346;MM28346;CC(F)(F)C(O)CO;RBQNWKWOMYXNHO-UHFFFAOYSA-N;126.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28347;MM28347;CC(C#N)C(C#N)=C(N)N;URHSKPZYIWXJQU-UHFFFAOYSA-N;136.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28348;MM28348;C=CC(=O)CN=CN(C)O;OWIHKMWJOXZRRC-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28349;MM28349;C=NOC(=O)N(C=O)OC;FPGHUOBEQLQRAG-UHFFFAOYSA-N;146.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28350;MM28350;COC(C)C(C)(C)O;GXEIESGOBKDVGX-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28351;MM28351;CC(C)(C)C(O)C=O;MOOKEWWXLLIOKB-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28352;MM28352;CCCOC=NOCOC;YJGYYRCBHXLQET-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28353;MM28353;C#CC(C#CCF)=NN;KEUIOLFVKKLJLM-UHFFFAOYSA-N;124.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28354;MM28354;CC(C=O)C(C)(C)O;IMELMGSFBHXINN-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28355;MM28355;C=CC(O)C(C)(C)O;DNTDZSFLRAIBAI-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28356;MM28356;CC(C)(O)C(O)C=O;YDXYYBJRCIQQSF-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28357;MM28357;CC(C)(O)C(O)C#N;HJULSEUNRHZTOB-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28358;MM28358;CC(C)(F)C(O)C=O;MDFKGAMGPRYVEO-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28359;MM28359;CC(C)(F)C(O)C#N;UZZMXVFPHZAAJR-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28360;MM28360;CC(F)(F)C(O)C#N;WWFSXBPWVJMIGH-UHFFFAOYSA-N;121.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01625;MM01625;CC(F)(F)C(F)C=O;NBDCMKNBMILWHK-UHFFFAOYSA-N;126.08;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28361;MM28361;C#CC(=NC)N(C)C(C)=O;MOEKQEJAYGLNQI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28362;MM28362;CC(C)(C)N(O)C=O;YBJLSIQTXVXOIC-UHFFFAOYSA-N;117.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28363;MM28363;CNC(=NC=N)OCC=O;ZZTKHLNQTBBZBW-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28364;MM28364;C#CC(O)C(C)(F)F;AHRVUJINULXQFN-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28365;MM28365;C=CNC(=NN)OC(C)C;WPHHVXVYQOOHBT-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28366;MM28366;CC(C)(C)C(=O)CO;FFNOWYSCJOKVCL-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28367;MM28367;COCC(COC)=NOC;OHOLAVLISCQUHQ-UHFFFAOYSA-N;147.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28368;MM28368;C=C(C)C(C)(N)C#CCO;CRKVRBXGWKVXKJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28369;MM28369;C=C(CO)C(C)(C)O;LZYYMLAVVDVONJ-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28370;MM28370;CCC(=O)C(C)(C)O;SYAVYWAMVZKGTF-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28371;MM28371;CC(C)(O)C(=O)CO;FEIUXLCYYBVUGD-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28372;MM28372;CC(C)(F)C(=O)CO;NEZWIUKBRGXOFG-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28373;MM28373;C=C(CO)C(C)(F)F;VYEYHTLSPKTUQO-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28374;MM28374;CCC(=O)C(C)(F)F;UJMDRELRMSOIMB-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28375;MM28375;CC(F)(F)C(=O)CO;BDBRUQWKZORDSR-UHFFFAOYSA-N;124.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28376;MM28376;CC(C=O)N(O)C(=N)N;XDUBNMRVYWGYNC-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28377;MM28377;C#CC(F)C(N)=C(C)C#N;CWLJCIUGPIOWDA-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28378;MM28378;CON=CN=CN(C)C=O;VERCPYSUYKGPDH-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28379;MM28379;CNN=CN(N)C(C)CF;ZHHNSJBDWQQKMT-UHFFFAOYSA-N;148.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28380;MM28380;CNC(=O)C(C)(C)F;DKEHAPXNDDZPBF-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28381;MM28381;CC(C)(F)C(=O)NN;KFWGHRFPTRXTAW-UHFFFAOYSA-N;120.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28382;MM28382;CC(C)(F)C(=O)NO;XZOIAUWIULRGKY-UHFFFAOYSA-N;121.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28383;MM28383;CON=CN(C=CF)OC;VUIWTUQHEOTEFY-UHFFFAOYSA-N;148.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28384;MM28384;C#CCN(C=NN)CCF;KCQISXLGVWBLFT-UHFFFAOYSA-N;143.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28385;MM28385;C#CC(C)N(N)C(C)=NN;ATTOGXUKZFGEIY-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28386;MM28386;CNC(=O)C(C)(F)F;XIYLRXSRDUVINW-UHFFFAOYSA-N;123.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28387;MM28387;CC(F)(F)C(=O)NN;SRTQHDWTGJDJQM-UHFFFAOYSA-N;124.09;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28388;MM28388;CC(F)(F)C(=O)NO;WQSRGDNAPKRXBP-UHFFFAOYSA-N;125.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28389;MM28389;N#CC(=CN)C(C#N)=CF;BQJXJOJPNCKOLQ-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28390;MM28390;COC(=O)C(C)(C)O;XYVQFUJDGOBPQI-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28391;MM28391;C=C(C=O)C(C)(C)O;JPGAANIEYUNAGX-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28392;MM28392;CC(C)(O)C(=O)C=O;OCAJTNNCRSVJNU-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28393;MM28393;CC(C)(O)C(=O)C#N;OUFRTIIOGHCPAM-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28394;MM28394;CC(C)(F)C(=O)C=O;BXDIOJDAIAJIDS-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28395;MM28395;CC(F)(F)C(=O)C=O;VKPLRMAHBWBPGW-UHFFFAOYSA-N;122.07;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28396;MM28396;C#CC(=O)C(C)(C)O;OOVMEZWGKLTDMO-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28397;MM28397;C#CC(=O)C(C)(F)F;YQJDIMSCJPSOAY-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28398;MM28398;C#CC(=O)C(F)(F)F;GUQPXLIKMPWGPV-UHFFFAOYSA-N;122.05;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28399;MM28399;CC(C#N)C(C)NCC=O;TVULARBIBAWRMK-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03429;MM03429;CC(=NO)C(C)(F)F;JLMNMKRGQPQOPZ-UHFFFAOYSA-N;123.1;1.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28400;MM28400;N=CN(C=O)C(=N)C=CN;RPKZKXJFZKLLLD-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28401;MM28401;CC(O)C=CN(O)C=N;WLTUTSFBLLVFFL-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28402;MM28402;CON=CC(C)(F)C=O;MDBWVOLKLALVED-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28403;MM28403;CC(F)C(C#N)=NNC=N;XFEIELFUMQRHCZ-UHFFFAOYSA-N;142.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28404;MM28404;CC(C)(O)CCCO;HAIVWDGLCRYQMC-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
5-fluoro-2-methylpentan-2-ol;MM01749;CC(C)(O)CCCF;UEZJJZXNTWFPBP-UHFFFAOYSA-N;120.17;1.51;22000481;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28405;MM28405;CC#CC(C#N)=C(N)N;QYLMCNCOFDZVNZ-UHFFFAOYSA-N;121.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28406;MM28406;C#CC=CN(C=O)N=C;HLUTURVSLVSHCX-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28407;MM28407;CC(F)(F)CCCF;HYXIMYFSWYBQDO-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28408;MM28408;CON=COC(C)(C)OC;OGMDFFJQNDCUMI-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28409;MM28409;CNC(=N)C(C#N)=C(F)F;LKHJMPVXYVCDFJ-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28410;MM28410;C=COCOC(=O)ON=C;XAVQIZJCXWZJKN-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28411;MM28411;CCC#CC(C#N)=C(N)N;MCBIQQRTKYXCDY-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28412;MM28412;COCCC(C)(C)O;LHUPIZXVJQEKCY-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28413;MM28413;C#CC(C)C#CC(N)CO;IPGSAAKKWOWMNC-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28414;MM28414;C=NOC(=O)N(C=O)N=C;JIQPSYJMFDVBFE-UHFFFAOYSA-N;143.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28415;MM28415;CCNN=C(NO)N(C)N;OYWBMCDWUHOZMV-UHFFFAOYSA-N;147.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28416;MM28416;CC(C)(O)CCC#N;ZPQLMXLHRVGXJG-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4,4,4-trifluorobutanal;MM02411;O=CCCC(F)(F)F;SCJCDNUXDWFVFI-UHFFFAOYSA-N;126.08;1.53;2777083;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28417;MM28417;N#CCCC(F)(F)F;LDONGICLORXRIB-UHFFFAOYSA-N;123.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28418;MM28418;CC(C)(O)CNC=O;KFYXGLSTDQOJEW-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28419;MM28419;C#CC(=O)N(C)N=C;RENMWOBPBVRARF-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28420;MM28420;CC(F)(F)CNC=O;OOFLOXSZRGFBPF-UHFFFAOYSA-N;123.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28421;MM28421;N#CCC(C#N)=C(N)N;HYQLKXXTSPCTDJ-UHFFFAOYSA-N;122.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28422;MM28422;O=CNCC(F)(F)F;VRMVPBDYTFYKKL-UHFFFAOYSA-N;127.07;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28423;MM28423;CN=C(C#N)N(C)OC;LLJUWWSRMIUFCF-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28424;MM28424;C=NN(C=O)C=NCC;IYJKWSQXHJPRIQ-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28425;MM28425;CC(C#N)C(=O)CN(C)C;LSHBFHWFWIXQQT-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28426;MM28426;C#CC=NN(C)C(=N)C=O;OFWNODAGMDGQAR-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28427;MM28427;CN(N)C=NC(=N)NC=O;WIDAOIKVAPUYGM-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28428;MM28428;C#CC(C#N)=C(N)N;OEIPLBOUMAHZJP-UHFFFAOYSA-N;107.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28429;MM28429;CC(C)(O)COC=O;YTAIUAKINZCBMX-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28430;MM28430;O=COCC(F)(F)F;CAFROQYMUICGNO-UHFFFAOYSA-N;128.05;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28431;MM28431;C=NN(C(C)=O)C(C)=NC;CVAVAOUIEBSCLW-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28432;MM28432;COC(C#N)C(C#N)=CN;NWKRVCUPKLLGFL-UHFFFAOYSA-N;137.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28433;MM28433;CC=NN=C(NO)C(=N)N;LYPMOYUEZKRMJZ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28434;MM28434;C#CC(C)=CC(=N)N(C)O;QVMQWEBNONSRCM-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28435;MM28435;CN(C)CC(F)C(O)C#N;DJUVOKVKJQIGMM-UHFFFAOYSA-N;146.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28436;MM28436;ON=CCC(F)(F)F;OAUNMQOYYGUOTF-UHFFFAOYSA-N;127.07;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28437;MM28437;C=NN(C=O)C=C(C)CF;XTXSTOGQFHYGSY-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01849;MM01849;CC(C)(C)OC=NO;LFDPXOJCUUJDCS-UHFFFAOYSA-N;117.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28438;MM28438;CNN(C=CF)C(=O)C#N;JOOOSGXMDKZSLZ-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28439;MM28439;N#CC=NOCC(=N)NO;KAFSABNNUDRTID-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28440;MM28440;CC(C)(O)C=CCO;SOKUNMXCTFSODA-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28441;MM28441;C=CCN=CN(C=O)N=C;VYVXFJUNMFTUEK-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28442;MM28442;N=C(N)C=NOCCO;ZRRIULCTZNKKNQ-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28443;MM28443;CC(=NO)N(N)CC=CF;PNKQEXSRIRVZSL-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28444;MM28444;C=NN=CC=C(N)N;VECWHWPCCFSCSD-UHFFFAOYSA-N;112.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28445;MM28445;COC(=N)NC(=NO)NN;QDNNUSDKUIHTAY-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28446;MM28446;C#CC(F)C(N)=CC#N;ZSVUTNLBQUBIQD-UHFFFAOYSA-N;124.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28447;MM28447;CC(C)(O)C=CC#N;KJCMEVUZIWFHCJ-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28448;MM28448;CN(C=N)C(=O)C(=O)C#N;YVIBXLAYHPCVQA-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28449;MM28449;CC(C#N)C=NOCC#N;QNCBSTFHIFBEKI-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4,4,4-trifluorobut-2-yn-1-ol;MM01705;OCC#CC(F)(F)F;BFNANDGYRIHOTO-UHFFFAOYSA-N;124.06;0.54;15442507;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28450;MM28450;CC(C)(C)C#CC#N;AXIPPPLLWFZRCH-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28451;MM28451;CC(C)(O)C#CC=O;DENGJZSRGVDRDY-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28452;MM28452;CC(C)(O)C#CC#N;LAHLMBPINRTSLN-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28453;MM28453;CC(F)(F)C#CC=O;HGHLZFBLPYBRGB-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28454;MM28454;C=NN=CN=CN(C)C=O;BAFNUVSGVRPCAH-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28455;MM28455;C=CCN(N)C(C)=NO;OITAROGQOLUSDH-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28456;MM28456;C=NN(CC#N)C(=N)C#N;CLZUTLUUXMVULA-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28457;MM28457;C#CC(CO)C(N)C#CC;XXSPBYNIPCPJEB-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28458;MM28458;C#CCN(C=NOC)OC;RNTCJODNPRIUQS-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28459;MM28459;CCOC(C#N)C=NOC;JIVMVPOLAATLQD-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28460;MM28460;C=NOC(=O)N(C=N)C=O;LNIZAQMAUGUWLM-UHFFFAOYSA-N;143.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28461;MM28461;C#CC(=NN(C)C)OC;JHWFRXHFKWKJAQ-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28462;MM28462;C=C(C)CN(N)C(C)=NO;ZYCJSUFCBMJRLH-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28463;MM28463;CNC(C#N)(C#N)C(C)C;CDCCHVOMCMUEAC-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28464;MM28464;CC#CC(CO)C(N)CF;LDEXDRRRLXPQAI-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28465;MM28465;CN(C)CC(=O)CC#N;OSHLNYWMUJYUOT-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28466;MM28466;CCCC(C)(O)CO;XERGTCWVYOKNAV-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28467;MM28467;C=NN=C(NO)NNC;SBXMJGDSEAEUDO-UHFFFAOYSA-N;131.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28468;MM28468;CC(O)(CO)CCO;XYHGSPUTABMVOC-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28469;MM28469;CC(O)(CF)CCF;WYEZSVNTKWLOTC-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28470;MM28470;COC=NN(C)C=CC=O;FDTBHNDXSXKOKQ-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28471;MM28471;CN=C(C)N(C=O)C=CF;DWJQFHGBLDNAEH-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28472;MM28472;C=NN(C=O)C(C)C#N;RGLKTJRSFWOEEE-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28473;MM28473;CC(F)(CO)CCF;JEVQFPTVZXUAKR-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28474;MM28474;C=NN(C=NC)C(=O)CC;VAZMARJNWRNBTH-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28475;MM28475;CC(F)(CF)CCO;FAZXUDOUERRRJM-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28476;MM28476;OCCC(F)(F)CO;LUHHBDLSEBKKQX-UHFFFAOYSA-N;126.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28477;MM28477;CCOC(C#N)=C(N)NC;ASUYTTGWIIJXHC-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28478;MM28478;OCCC(F)(F)CF;XLEDKSWRBWQRIY-UHFFFAOYSA-N;128.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28479;MM28479;C=CC=NN(C=O)CC#N;NUYCSOMFGOPGSQ-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28480;MM28480;C#CC(=N)N(C=O)N(C)C;BZTJUNZHHHGLMQ-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28481;MM28481;C=NN=C(NN)NOCC;DGJLUYZSDDOLOL-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28482;MM28482;C=C(OC)C(C)NCCO;FPDNGPIGMNJSGK-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28483;MM28483;COCC=NN=CC=CN;QBBSVJLXDMQXEF-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28484;MM28484;C#CC=NOC(C)C#N;VVOMKJOVMKZCTC-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28485;MM28485;CNC(N)=C(C#N)OC;VYLMBRHUCSEABP-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28486;MM28486;COCC(=NN(C)C)OC;GFBVTSIVUPFZSL-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28487;MM28487;COCC(C)(O)CO;SSYXENDISJFPDF-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28488;MM28488;COCC(C)(O)CF;JPOHFCYKUIBQBF-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28489;MM28489;C=NN(C=O)C(=N)C(C)C;ZHRSXHVGHXLMKG-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28490;MM28490;COCC(C)(F)CO;IPKINDBMTQNVNA-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28491;MM28491;C=NN(C=N)C(=O)C(C)C;XWQOOXWIJQCPKE-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28492;MM28492;N=CNN=C(N)C(=O)CO;KTQKHMFRAHZMPZ-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28493;MM28493;C#CCON=CC(=C)C#N;LZXWNRLNAAOPJQ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28494;MM28494;C=CC(=O)C(=NOC)NC;MKUMCPCJCBJHHS-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28495;MM28495;CC=NN(C=O)CCC#N;GNWITWQNALWASA-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28496;MM28496;COC(C)(C)CCO;MFKRHJVUCZRDTF-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28497;MM28497;C#CC(NC)=C(C#N)OC;ZRBLZOFTUYOJHI-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28498;MM28498;COCC(C)(C)OC;JKZCQJSIVSJSRT-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28499;MM28499;COC(=CC#N)N(O)C=N;KIARRKNHYNAETJ-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28500;MM28500;CCOC(C)(C)CO;WOSZILCYMCIWFB-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28501;MM28501;CCOC(C)(C)OC;HXDWMTYIWJLRJA-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28502;MM28502;N=CN(C=N)C=O;YHWZQXNMSNEWAS-UHFFFAOYSA-N;99.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28503;MM28503;CCC(C)(O)CC#N;ONLWETYEQPSHET-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28504;MM28504;CNC(=NOC)C(C)O;NFPJCRMHEKARTO-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28505;MM28505;C=CCC(C)(O)CO;FAXVDSOZRPJENM-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28506;MM28506;CC(O)(CO)CC=O;BXXOOIPMPLMMPP-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28507;MM28507;CC(O)(CO)CC#N;LTSXNYVOOTXJQP-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28508;MM28508;CC(O)(CF)CC#N;CVDBHWQTMWPXEH-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28509;MM28509;CCC(C)(F)CC=O;FKJQZNJQNCQCIJ-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28510;MM28510;C=COC=NN(C)CCF;NRYAAWRUWXEHSE-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28511;MM28511;CC(F)(CO)CC#N;PHPVGBKYLHACJN-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluoropentanal;MM02370;CCC(F)(F)CC=O;AUFANVBTRXFQSE-UHFFFAOYSA-N;122.11;1.62;87189516;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28512;MM28512;N#CCC(F)(F)CO;OEGVMQMTAKZUEQ-UHFFFAOYSA-N;121.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28513;MM28513;C=NNC(=NN)NO;WMDMCVGIULJKEH-UHFFFAOYSA-N;117.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28514;MM28514;C#CC(=NOC)ON=CC;BRUUXDXNMVXJBY-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28515;MM28515;COC(C)(C)CC#N;UMAVTPREOKQGNC-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28516;MM28516;CNC(CC=O)C(C)F;AWLSSMDZUKFJJA-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28517;MM28517;CC(C)(CO)NC=O;DLFOIXQOODRPPX-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28518;MM28518;CC(C)(CF)NC=O;TZACTCDWFSNPGU-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28519;MM28519;C#CC(C#CCF)=NNC;XHGLZXAGAYYCLI-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28520;MM28520;CN=C(C#N)N(C=O)NC;QKDQTIKLPMPUOH-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28521;MM28521;CCOC(=NC)NO;UVDXEEMTNPRSFJ-UHFFFAOYSA-N;118.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28522;MM28522;C=CC(=NOCC#N)OC;SPAFVPRPDSMKGU-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethenoxy-2-methylpropan-1-ol;MM01715;C=COC(C)(C)CO;FNRYSYWADFALHR-UHFFFAOYSA-N;116.16;0.92;19987643;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28523;MM28523;C#CC(COC)=NOC;UGFHRMXXQWAPLV-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28524;MM28524;C=COC(C)(C)OC;BNGMRIBPDIDXKN-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28525;MM28525;COC(C)(C)OC=O;FNIHSYKDUGDXRX-UHFFFAOYSA-N;118.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28526;MM28526;CN(C)N=COCC#N;OBLOAYBYYHHBIB-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28527;MM28527;C#CC(C=C)N(O)C=N;RMFLBFRYXBNBMQ-UHFFFAOYSA-N;124.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28528;MM28528;C#CCC(C)(O)CO;NQSDZDSMVFMYOB-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28529;MM28529;C=NN(C)C(=NN)NO;RKAWSSUBSASECZ-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28530;MM28530;C#CCC(F)(F)CO;ZVDJTMPBSIPQPY-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28531;MM28531;CC(C)(C=O)CCO;YHMMFPKTSXQULG-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28532;MM28532;CC(C)(C#N)CCF;KUVARPQERLDSDO-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28533;MM28533;C=C(F)CN=CN(C)C=O;IENHFLHOOOGCFT-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28534;MM28534;CC(F)=CN=C(N)CC=O;UUUPXLRKSLBNFA-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28535;MM28535;C=NOC(C#N)(C#N)C=O;TUGQBMACFBLWMA-UHFFFAOYSA-N;137.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28536;MM28536;CCNC(=NC)OCC=O;LSAIHMUSIOOURQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28537;MM28537;C=CC(C)(O)CCO;MFDAOGRWLFAQNK-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28538;MM28538;C=CC(C)(O)CCF;WXCFLQVTXDBCDZ-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28539;MM28539;CCCC(C)(O)C=O;IVKMDHMUJIIRQR-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28540;MM28540;CCCC(C)(O)C#N;DOTBWZRLSYDMSC-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28541;MM28541;CC(O)(C#N)CCF;KHDIDOHJSLXQFF-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28542;MM28542;CC=NOC(=O)C=NOC;IKGGWTJBENYOTK-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28543;MM28543;CCCC(C)(F)C#N;JSAMFEAVJVPLLY-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28544;MM28544;CC(F)(C=O)CCO;DLXHPHWPCDFSRH-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28545;MM28545;CC(F)(C#N)CCO;VDGHNRHOTZYETG-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28546;MM28546;C=CC(=O)N(CC#N)N=C;BBDPQSIBKIZOGR-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28547;MM28547;C#CC(C=NOC)OC=O;BIHDVRATVWFQAQ-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28548;MM28548;C=CC(C#N)N(C=O)N=C;HCXMGTALVWJGJN-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28549;MM28549;CC(F)CNCCC=O;NAURKUKSCVTTIQ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28550;MM28550;C=NN(C=O)C(C)=CC=O;KKYHVCDTSACECK-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28551;MM28551;COC=NN(C)CC#N;GLMNOHUQVKCXGD-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28552;MM28552;CC=NN(C)C(=O)OC;CFOJUUKMNBBUPL-UHFFFAOYSA-N;130.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28553;MM28553;COCC(C)(C)C#N;CEMLHCYKDRPMSS-UHFFFAOYSA-N;113.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28554;MM28554;N#CC#CC(C#N)=CN;DIFPPMKUOMFQQT-UHFFFAOYSA-N;117.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28555;MM28555;C=CC(C)(O)COC;MDEXPWMLMBLLJW-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28556;MM28556;COCC(C)(O)C#N;XNEZBRPCWBEMQQ-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28557;MM28557;COCC(C)(F)C#N;IMYOXNJWCDVARO-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28558;MM28558;COCC(F)(F)C=O;DBVVFDVNVVTUCR-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28559;MM28559;COCC(F)(F)C#N;CTHKFMWOKWRPJL-UHFFFAOYSA-N;121.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28560;MM28560;C#CC=NOCOC=O;GDBGZGVYBSYJFI-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28561;MM28561;CCOC(C)(C)C#N;LZHWPSMXWLOXNK-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28562;MM28562;C=CC(C)(C)CC=O;WLXREHIPDUEVON-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28563;MM28563;CC(C)(C=O)CC#N;BRUIQWHGAHSUGS-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28564;MM28564;C=CC(C)(O)CC=O;FBZUWQLTABWBMU-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28565;MM28565;C=CC(C)(O)CC#N;BDIMTIXTEJCWDF-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28566;MM28566;C=CCC(C)(O)C=O;UMUZMZLLYJGRNA-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28567;MM28567;CC(O)(C=O)CC=O;NIZSQAKBEFUFNL-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28568;MM28568;CC(O)(C=O)CC#N;YWXRCNFLYBLAHY-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28569;MM28569;CC(O)(C#N)CC=O;ALHBMEFNMHHUDE-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28570;MM28570;CC(O)(C#N)CC#N;CWUGIPSBHFLNTE-UHFFFAOYSA-N;110.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28571;MM28571;C=CC(C)(F)CC=O;XZMISZPESAETQV-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15723;MM15723;CC(F)(C=O)CC=O;FIOPJSOIMKSMBS-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28572;MM28572;CC(F)(C=O)CC#N;UWYAAHWEJWDBFG-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15714;MM15714;CC(F)(C#N)CC=O;AIRSTZACPHHIBZ-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28573;MM28573;CC(F)(C#N)CC#N;CNNWXXFOLJCITI-UHFFFAOYSA-N;112.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28574;MM28574;N#CCC(F)(F)C=O;QCMTVWOSGGKKAU-UHFFFAOYSA-N;119.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28575;MM28575;N#CCC(F)(F)C#N;GJZXTTQMEARBBA-UHFFFAOYSA-N;116.07;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28576;MM28576;CCOCC(=N)N(C)C=O;IZDJJPLGOHMTJZ-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28577;MM28577;CC(C)(C=O)NC=O;CPGBSFBPBMPQHP-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28578;MM28578;CC(C)(C#N)NC=O;OMYPKEFHLLONSA-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28579;MM28579;C#CCN(N=C)C(=O)C=O;WIJYVFBWZNEUGH-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28580;MM28580;CC(C)(C=O)OC=O;MDWWHOIDIKOPHH-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28581;MM28581;C#CCC(C)(O)C=O;CSWQCFVCKDDXRX-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28582;MM28582;C#CCC(C)(O)C#N;HAHXFMTXQRHSNX-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28583;MM28583;C#CCC(C)(F)C=O;JHUMKMVDYSUAFN-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28584;MM28584;CN=CN=C(C)N(C)O;CHYRSXPDRAQWMY-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28585;MM28585;C#CC(C#C)=NOCC;AXDOBQWWLUQZBJ-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28586;MM28586;C=NNC(=NN)NCC;XZVTYDQBTRQUKB-UHFFFAOYSA-N;129.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28587;MM28587;C#CC(C)(O)CCF;FEVNUVZLKJJLMW-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28588;MM28588;CN(C=O)C=C(F)C=NN;SRNLIMWTDAPWSF-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28589;MM28589;CC=NOC(=O)N(N)C=O;FYPXGUUXOWHOLG-UHFFFAOYSA-N;145.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28590;MM28590;C=CN(C=O)NCCC#N;LIIGOHSMDFBGOP-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28591;MM28591;CN(C=O)N=CCCF;ACWUIVNIXZTFNK-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28592;MM28592;C#CC(C)(O)COC;JEBUUQLXYVZBJV-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28593;MM28593;C#CC(F)(F)COC;HEJQPRJAEHATER-UHFFFAOYSA-N;120.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28594;MM28594;C#CC(C)(C)CC=O;CWORKEUBPFOPPV-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28595;MM28595;C#CC(C)(O)CC=O;UOUPNBAMDCEXKI-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28596;MM28596;C#CC(C)(O)CC#N;CYYHMTAZQPFFDY-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28597;MM28597;C#CC(C)(F)CC=O;FABYEYGOGUPRNM-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28598;MM28598;C#CC(F)(F)CC#N;YDTSNSFRVHUGJV-UHFFFAOYSA-N;115.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28599;MM28599;CCOC(=O)N(N)C=O;VTAQDKRTKLSBTP-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28600;MM28600;C#CC#CC#CC=NN;BLNITLSVBOBOCF-UHFFFAOYSA-N;116.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28601;MM28601;C#CCC(C)(O)C#C;FIWORCFXGWOQLL-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28602;MM28602;CON=CC=NOC(C)=O;DGERCJUHRFNLAP-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28603;MM28603;C#CCOC(=O)N(C)N=C;IYEJMFICVZUETP-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28604;MM28604;C=NNC(=NN)NC;PCESGLVAUYNEKY-UHFFFAOYSA-N;115.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28605;MM28605;CC=NOCC(=N)NO;JAPRXTJWAIEUMH-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28606;MM28606;CC(C=O)CNCCF;UFICPSWMTGIFAR-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28607;MM28607;CC=CC(C)(O)CO;NIABAUZZSNVNNM-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28608;MM28608;CC(O)(C=CF)CO;YFECQROPOCYAMC-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28609;MM28609;CCC=NOCC(=N)NO;PCSPPVZFTBBVGX-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28610;MM28610;CNNC(=NN)NOC;XSCAOAPZIURHRD-UHFFFAOYSA-N;133.16;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28611;MM28611;CCC(C)(O)C=NO;YKBUPODBKRAVIS-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28612;MM28612;C=NN(C)C(=NN)NCC;WWZKVWQICAHKMH-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28613;MM28613;CC=NN(C)C(=NN)NC;JRCUSVJVZPFHJF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28614;MM28614;CC(F)(C=NO)CO;YGUMMODMUVMIEV-UHFFFAOYSA-N;121.11;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28615;MM28615;NN=CC(F)(F)CO;XHMMALGMQLAUJC-UHFFFAOYSA-N;124.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28616;MM28616;OCC(F)(F)C=NO;VJFAUWGUYGWWKY-UHFFFAOYSA-N;125.07;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28617;MM28617;C=NN(C=NC)C(=N)C#N;SDHPOBATEBQSKG-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-(2,2,3-trifluoropropylidene)hydroxylamine;MM03189;ON=CC(F)(F)CF;CXESTSOZPRIZDB-UHFFFAOYSA-N;127.07;1.05;73412158;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28618;MM28618;C#CC(=NC=N)N(C)C=O;MFESPLAECFUAJL-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28619;MM28619;N=C(N)C=NN=C(N)C=O;QWDVKOPIEXAAMU-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28620;MM28620;C=CC(=NOC)OCC#N;AECUQFLKWODCDL-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28621;MM28621;COC(C)(C)C=NO;UFHPOLMQBGNDFC-UHFFFAOYSA-N;117.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28622;MM28622;C=C(C)N(C=N)C(=O)C=O;BDMDKKJVEUFOLM-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28623;MM28623;CC=CC(C)(O)C#N;LNRITHVLIRAKRX-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28624;MM28624;CC(O)(C=O)C=CF;JBQPUEXVBHAUKW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28625;MM28625;CC(C)(C=O)C=NO;GVUONNMBSIENLD-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28626;MM28626;C=NN=C(C)NC(C)=N;VYPBJJUPTMYOJV-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28627;MM28627;CC(O)(C=O)C=NO;ZWXVIRCFKXOWBC-UHFFFAOYSA-N;117.1;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16163;MM16163;O=CC(F)(F)C=NO;ISLYBDVQUOXOHO-UHFFFAOYSA-N;123.06;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28628;MM28628;C#CC=NOCC(=N)NO;IFAOWFAYGPUAKL-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28629;MM28629;C#CC(C)(O)C=NO;SLBORLBLEYMUCR-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28630;MM28630;CCNC(N)=C(C#N)OC;YXMCCKDRVYMIQN-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16146;MM16146;C#CC(F)(F)C=NO;UKAPYRFWAPCXME-UHFFFAOYSA-N;119.07;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28631;MM28631;COC(=O)N(N)C=O;WXYCZMAKKVHLDR-UHFFFAOYSA-N;118.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28632;MM28632;C#CCC=NN(C)C=O;SOKVEJJYARLYAP-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28633;MM28633;C#CC(=C)CCNCC=O;TYJRDEPZMLWVPB-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28634;MM28634;N#CC(=CN)C(=N)NO;FBLAEXDZRVJVLG-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28635;MM28635;CC(C#N)N(C)CC#N;SXEYRICHVMAOOG-UHFFFAOYSA-N;123.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28636;MM28636;CC#CC(C)(F)CO;HWDGWSHSVFSZJK-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28637;MM28637;CC#CC(C)(O)C=O;BQRDZLDYLMMDHM-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28638;MM28638;CC#CC(C)(O)C#N;RUTGFBBDPTXSIP-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28639;MM28639;C#CC(C)(C)C#CC;TWLNVYGMJMZEHA-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28640;MM28640;C#CCN(C)N(C)C=O;REURVHCWRVFEPZ-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-methylhexa-1,4-diyn-3-ol;MM01684;C#CC(C)(O)C#CC;OQFSLRAFSXANOM-UHFFFAOYSA-N;108.14;0.39;85779170;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28641;MM28641;CC(N)=C(C#N)C(F)C#N;VILCMOKOOPDHCN-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28642;MM28642;C#CC(CF)=NN;KSFXUNATJLLLST-UHFFFAOYSA-N;100.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28643;MM28643;CC(F)=CN=CNO;VCQGMZMQXTVPCU-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28644;MM28644;C=CN(C=N)C(=O)C#N;URZHOOBXYWURDE-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28645;MM28645;CN(C=NC=O)C(=N)C#N;NEUWIGOESLGATI-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28646;MM28646;C#CC(=NNC=N)N(C)N;MMRKYWZYJOFZGM-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28647;MM28647;C#CC(=NNC)NNC;GMCXRXWMCZLVMD-UHFFFAOYSA-N;126.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28648;MM28648;CCC(C)(O)C(C)O;RLWWHEFTJSHFRN-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28649;MM28649;CC(O)C(C)(O)CO;JUKWFOVSARANHP-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28650;MM28650;C#CC(=O)C(C)NCCF;NHFXXYWXYPRFJI-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28651;MM28651;CC(F)C(C)(O)CO;SVYOTKBCULUWLH-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28652;MM28652;C#CC(=O)ON=CON=C;YKFYFPHVGUWUCK-UHFFFAOYSA-N;140.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28653;MM28653;CON=C(C)OC;ODBRLILBGFLPSU-UHFFFAOYSA-N;103.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28654;MM28654;CNN=CNC(C)C#N;WIGANHOAXBLGQG-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28655;MM28655;CC(O)C(C)(F)CO;CVNHBFZUYPORBG-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28656;MM28656;C#CCON=CC(F)CN;HSQRFIYBARRZFK-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28657;MM28657;CC(O)C(F)(F)CO;FKAWLNJLIHZNPW-UHFFFAOYSA-N;126.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28658;MM28658;C=NOC(=O)COC=O;OTDMLRKCFNXCEU-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28659;MM28659;C#CCN(C=N)C(=O)C#C;RFMBRXZQIALHEE-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28660;MM28660;CCON=CC(F)CN;WETJCTRVCOFNNM-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28661;MM28661;COC(=O)N(C)N(C)C;IVRNWGNOEVBSQT-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28662;MM28662;COC(C)(C)C(C)O;SPILUUVIGQMCHL-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28663;MM28663;CNN=CC(F)CN;SKHAOMLLQJWIJY-UHFFFAOYSA-N;119.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28664;MM28664;CC(O)C(C)(C)C=O;YHAVDEXZIDBAAE-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28665;MM28665;CC(O)C(C)(C)C#N;LNDYIZFLFMYMEO-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28666;MM28666;C=CC#CC(=O)N(C)N=C;PUPQKKOWIUOTKP-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28667;MM28667;C#CC#CC(=O)N(N)C=O;JBBCOMAXVRJCGA-UHFFFAOYSA-N;136.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28668;MM28668;CCNN=CC(F)CN;HMLKHXYNEDNHOE-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28669;MM28669;C#CC(=N)N(C=O)CC=C;YDMXABXDEOTSMZ-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28670;MM28670;CC(C)C(C)(O)C=O;BLPUUPWRTDWLCX-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28671;MM28671;CC(C)C(C)(O)C#N;QCKRFEBWZBKGTR-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28672;MM28672;C=CN=CNOC(=O)C#N;WFCIVNCZXFKGSN-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28673;MM28673;C=CC(C)(O)C(C)O;AYNRLKALDRMVQV-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28674;MM28674;CC(O)C(C)(O)C=O;SWWUSDZVEAZVPR-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28675;MM28675;CC(O)C(C)(O)C#N;PMKDACSZUUSFCR-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28676;MM28676;CC(F)C(C)(O)C=O;PLCKAMJRLDYLPG-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28677;MM28677;CC(O)(C#N)C(F)F;BSQLYEPHEITHQI-UHFFFAOYSA-N;121.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28678;MM28678;CC(O)C(C)(F)C#N;DJMZGMACMZLGHJ-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28679;MM28679;CC(O)C(F)(F)C=O;WBWGLDZKXCTCST-UHFFFAOYSA-N;124.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28680;MM28680;N#CC=CC(N)=CC#N;IDUUGNAKZOVPGQ-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28681;MM28681;C=C(F)C(C#N)=C(N)N;IDIFGELLJYTJKC-UHFFFAOYSA-N;127.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28682;MM28682;C=NNC(=NC)C(C)CN;VWQQCRPUUGUWNH-UHFFFAOYSA-N;142.21;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28683;MM28683;C#CC(C)(O)C(C)O;ROYMFZRBHCVMIK-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28684;MM28684;C#CC(C)(O)C(F)F;VKLIQGDUIOAXHV-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28685;MM28685;C#CC(F)(F)C(C)O;MQBJKKKDAVGXLS-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28686;MM28686;C=C(C)C(C)(C)CC;TUSBCMPNIOJUBX-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28687;MM28687;C=C(C)C(C)(C)CF;YKTMROAKGHACNG-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28688;MM28688;CC(=O)C(C)(C)CO;DYAWMXSWDGPGOI-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28689;MM28689;CC(C)(CF)C(N)=O;MAEGWJOXNJCHLG-UHFFFAOYSA-N;119.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28690;MM28690;CC(C)(CO)C(=O)O;RDFQSFOGKVZWKF-UHFFFAOYSA-N;118.13;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28691;MM28691;C=NOC(=O)C=CCC#N;HBXZVBMVXBQPGB-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28692;MM28692;C#CC(CC)N(C=N)C=O;YAXVHDKTMATZCV-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28693;MM28693;C#CC(=O)CN(C)C;GSBRZWVRQUGEAN-UHFFFAOYSA-N;111.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28694;MM28694;C=C(C)C(C)(O)CO;FSGWUYSNSHWDQM-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28695;MM28695;CCC(C)(O)C(C)=O;KHCUSEDRQWYNDS-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28696;MM28696;C=NNC(=N)C(CC)CN;QFNCBBLEZDTWQI-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28697;MM28697;N#CC(F)=CC(=N)NC=N;WBEMTALXVGCAIN-UHFFFAOYSA-N;140.12;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28698;MM28698;CCC(C)(O)C(N)=O;BHPSBYAVFSKVKY-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28699;MM28699;CC(O)(CO)C(N)=O;ZCZWBWMPICKAAN-UHFFFAOYSA-N;119.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-2-methylbutanoic Acid";MM03654;CCC(C)(O)C(=O)O;MBIQENSCDNJOIY-UHFFFAOYSA-N;118.13;0.23;95433;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28700;MM28700;CC(O)(CO)C(=O)O;DGADNPLBVRLJGD-UHFFFAOYSA-N;120.1;-1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28701;MM28701;C=NNC(=N)C=C(N)NC;MCMNFQJVSAYXQD-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28702;MM28702;C=C(F)C(C)(O)CO;IXKHVYDNRBAOFA-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28703;MM28703;C=C(F)C(C)(O)CF;JCFMHYMPKBDIQH-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28704;MM28704;C#CC=NN(C)C=NC=O;PTFLCTMVQJKYJT-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28705;MM28705;CC(=O)C(C)(F)CO;RWBQEKRMGPRUCN-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28706;MM28706;C=NN=C(OC)C(=N)NN;GFNUMWIWONSUBV-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28707;MM28707;C#CC(CCC#N)=NOC;IHVMJUCRPHAXNE-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28708;MM28708;CC(F)(CO)C(N)=O;UYAMIJJJYQUCCN-UHFFFAOYSA-N;121.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28709;MM28709;CC(F)(CO)C(=O)O;FTEJRPROGSOZBP-UHFFFAOYSA-N;122.1;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-difluoro-2-methylpropanoic Acid";MM03443;CC(F)(CF)C(=O)O;GIBQRWHEVVQWKZ-UHFFFAOYSA-N;124.09;0.77;18924165;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28710;MM28710;CON=CC(C=O)=CC#N;JIZBDCDFBUCIIE-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28711;MM28711;C=C(F)C(C)(F)CO;ZHANPYYYBNRWAN-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluoropentan-2-one;MM02168;CCC(F)(F)C(C)=O;UWOFGIXNNCPENM-UHFFFAOYSA-N;122.11;1.62;23235135;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3,4-trifluorobutan-2-one;MM02167;CC(=O)C(F)(F)CF;QNJJNUWIDJOPSW-UHFFFAOYSA-N;126.08;1.18;15507739;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28712;MM28712;C=C(OC)N(C=O)N(C)C;HUUDNDSBJPTCFK-UHFFFAOYSA-N;144.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28713;MM28713;CCC(F)(F)C(N)=O;RDGCCWDOEOKZSE-UHFFFAOYSA-N;123.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28714;MM28714;NC(=O)C(F)(F)CF;YFOWWZRYHFOJDR-UHFFFAOYSA-N;127.07;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28715;MM28715;C#CC(C#C)N(C=O)N=C;VQEKEXFWUGNRSV-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28716;MM28716;CC=NOC(=NC)NC=N;GDDCBTXWQZGLOE-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28717;MM28717;CC=NOC=NOCC#N;FKCHIQQYCIZWCD-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28718;MM28718;C=CNC(=N)NC(=O)OC;VLGWDCNOFQJVEK-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28719;MM28719;C=C(OC)N(C=N)C=O;DHIMFDJYEBPZBV-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28720;MM28720;COC(C)(C)C(N)=O;QALSEIBHJDDTQA-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28721;MM28721;C=CC(C)(C)C(=C)C;OXYDHUPSYIQGAP-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28722;MM28722;C=C(C)C(C)(C)C=O;IOLBOWCWGVKAQS-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28723;MM28723;C=CC(C)(C)C(C)=O;ZMCKXDZHFIPQJT-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28724;MM28724;CC(=O)C(C)(C)C#N;GWBVNZWGZJJONZ-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28725;MM28725;COCC=NOCC#N;QIRKYTWHDJRABF-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28726;MM28726;C=NN(C=O)C(C)(C)C#N;NONRDEBSCGLRQL-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28727;MM28727;C=NOC(=NC)NC=N;RRYWAZRCKDYVCX-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28728;MM28728;C=NNC(=O)ON=CCN;NOLUUUVGSFDCHP-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28729;MM28729;CC(C)(C=O)C(N)=O;YNHAITJEDVZJJW-UHFFFAOYSA-N;115.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28730;MM28730;CC(C)(C#N)C(N)=O;IQCHZCYHDCDSFI-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28731;MM28731;C=C(F)C(C)(C)C=O;HAEJTYUXLBSWAW-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28732;MM28732;CC(C)=NOC(=O)N(C)C;HDQKVYPUASGNJP-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28733;MM28733;C=C(C)C(C)(O)C=O;WRCLBTDIPRYEIH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28734;MM28734;C=CC(C)(O)C(C)=O;OSPCGCULLCLMGT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28735;MM28735;C#CC=NNC(=N)NC=O;MSPRZFIFTCRFHF-UHFFFAOYSA-N;138.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28736;MM28736;CC#CC(N)CC=NO;GTRJSUVQDNUNSU-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28737;MM28737;C=CN(O)C(C)=NCC#N;UQIFNHUSSVLKCH-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28738;MM28738;C=CC(C)(O)C(N)=O;QOTULCPEGUZKIK-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28739;MM28739;CC(O)(C=O)C(N)=O;IANAEPBVVWNTGW-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28740;MM28740;CC(O)(C#N)C(N)=O;HVJKFEFFRBWBJV-UHFFFAOYSA-N;114.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28741;MM28741;C=CC(C)(O)C(=O)O;SXQCPXKZTFJHQI-UHFFFAOYSA-N;116.12;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28742;MM28742;C=C(F)C(C)(O)C=O;GAPVTNATYJKHAF-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28743;MM28743;C=CC(C)(F)C(C)=O;ITJFJCXWRLTVFQ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28744;MM28744;CC(=O)C(C)(F)C=O;ZSSURQBKCHLOJO-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28745;MM28745;CC(=O)C(C)(F)C#N;KEJXSPSHAWALBT-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28746;MM28746;CC(F)(C=O)C(N)=O;MGMSRLUVZZKAMY-UHFFFAOYSA-N;119.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28747;MM28747;CC(F)(C#N)C(N)=O;WVPWYUWSGSLLCS-UHFFFAOYSA-N;116.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluoropent-4-en-2-one;MM02163;C=CC(F)(F)C(C)=O;NLCVVAHAYMKXFI-UHFFFAOYSA-N;120.1;1.4;123479291;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,2-difluoro-3-oxobutanal;MM02193;CC(=O)C(F)(F)C=O;NSIFGFWJJQVOBE-UHFFFAOYSA-N;122.07;0.41;54127989;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28748;MM28748;C=CC#CC(=O)N(N)C=O;UUPUIULRGNQJJG-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28749;MM28749;C#CC(COC)=NOCC;LUSLTXKUHZXRLM-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28750;MM28750;C=CC(=NO)N(O)C(=N)N;FRWGOKVVTJPDKX-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28751;MM28751;NC(=O)C(F)(F)C=O;ILAFEJVWXFVVTR-UHFFFAOYSA-N;123.06;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28752;MM28752;N#CC(F)(F)C(N)=O;KJABZKXPDXFOCX-UHFFFAOYSA-N;120.06;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28753;MM28753;C#CC(C)(C)C(C)=O;JNSCOQNHOVZAJZ-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2-dimethylbut-3-ynoic Acid";MM03687;C#CC(C)(C)C(=O)O;WCDPCILUMOPENA-UHFFFAOYSA-N;112.13;0.73;13905647;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28754;MM28754;C=NN(C(C)=O)C(C)C#N;ZFBOPJMZTYNMMY-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28755;MM28755;N#CC(O)C(C#N)NC=N;PVIFEOAOLZKHNB-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28756;MM28756;CC=NN=C(NN)NOC;ADOVNIMAXYTWFE-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28757;MM28757;C#CC(C)(O)C(N)=O;JXSLEPBVSCFSSD-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28758;MM28758;C#CC(C)(F)C(C)=O;KJPBTYTXKVUNAL-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28759;MM28759;C#CC=NOC=NN(C)C;QBRSPUFKDSJFJX-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28760;MM28760;C#CC(C)(F)C(N)=O;BOQJNNMJGZDMDF-UHFFFAOYSA-N;115.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28761;MM28761;C=NN(C)C(=O)C(=C)C#N;TVADMQRUUDDQGF-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28762;MM28762;C#CC(F)(F)C(N)=O;URGLTBBSTUXREH-UHFFFAOYSA-N;119.07;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16171;MM16171;C#CC(F)(F)C(=O)O;KFQZZJGSWPAEJN-UHFFFAOYSA-N;120.05;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28763;MM28763;C=CN(C=NOC)OC=O;OSLXQBLHZBGURS-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28764;MM28764;C=NOC(=O)N(C=N)N=C;SVSZOJZLILYOGP-UHFFFAOYSA-N;142.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28765;MM28765;C=CN(C=O)N=CC;KMRUPNGOQDJXIW-UHFFFAOYSA-N;112.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28766;MM28766;CC=NN(C)C(=O)C=O;MTNLUXRYBAJKQM-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28767;MM28767;C=CCNN(C=O)CC#N;CYLMWQGZGXUJCX-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28768;MM28768;C=COC=CN(C=O)N=C;CAWUWLMVXPOYQP-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28769;MM28769;CON=CC=NN=CC=O;DSAJCFRNFDFBPR-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28770;MM28770;C#CC#CC(N)=CC#N;QSOQFXOFZMGZEU-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28771;MM28771;CC#CC(=O)N(N)C=O;OFIPBGFNEDIZER-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28772;MM28772;CC(=O)CCC(C)O;ZSDLLTJVENEIDW-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28773;MM28773;CC(O)CCC(=O)O;FMHKPLXYWVCLME-UHFFFAOYSA-N;118.13;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28774;MM28774;CON=CC(OC)OC;ZUSGUIYRYHYLGN-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28775;MM28775;CNNC(=O)ON=CCN;DFLKTCOCJASDDP-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28776;MM28776;C=CC#CC(C#N)=CN;FXBAGVQCILBOFA-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28777;MM28777;CC(C)CNC(N)=O;MQBITTBZTXUIPN-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28778;MM28778;COC=NOCCOC;QDQIDMDGZSLCLN-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28779;MM28779;CC(=O)NCC(C)F;ZGQWGJQQBANUEK-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28780;MM28780;CC(C)=CN(C=O)N(C)C;UVCRIRWRFYZZGL-UHFFFAOYSA-N;142.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28781;MM28781;COC=NN(C)C(C)C#N;DNAMVEXEJCTLCE-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28782;MM28782;CC(C)COC(N)=O;BRUZQRBVNRKLJG-UHFFFAOYSA-N;117.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28783;MM28783;CCC#CC(=O)N(N)C=O;CJCIXPOICJFRTK-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28784;MM28784;CC(=O)OCC(C)F;VTLLQHMQZGLKMY-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28785;MM28785;CC(F)COC(N)=O;XCVOTZPWCLFMEU-UHFFFAOYSA-N;121.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28786;MM28786;C=NN(CC#N)C(=O)CC;GPYOTFUQZLVKML-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28787;MM28787;CC=NN=C(NO)N(C)N;CWRQFBIQDMBYDE-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28788;MM28788;CN1CC1C#N;OFGUDXIHTSHDIV-UHFFFAOYSA-N;82.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28789;MM28789;CCON=C(C)OC;JXISDVOUJWBKPE-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28790;MM28790;C=NOC(=O)N(C)C=O;ZACXPOHIPPYLFH-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28791;MM28791;CC(C)ONC(N)=O;NLJBWSFAOXEQLA-UHFFFAOYSA-N;118.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28792;MM28792;COC=C(OC)N(O)C=N;UYBDZIOMGXXDEP-UHFFFAOYSA-N;146.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28793;MM28793;N#CC(C#CCF)=CN;LSQGSYHVOPVMLB-UHFFFAOYSA-N;124.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28794;MM28794;C=C(C=NO)CN(C)C;GUARXWIPIRIMCX-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28795;MM28795;CC(=O)CCC(C)=O;OJVAMHKKJGICOG-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Levulinic Acid";MM17311;CC(=O)CCC(=O)O;JOOXCMJARBKPKM-UHFFFAOYSA-N;116.12;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28796;MM28796;C#CC=COC=NN(C)C;ZSFFFYYQDYVKRK-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28797;MM28797;C=C(F)CCC(N)=O;JDZNWHLVAKYPEL-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28798;MM28798;N=C(N)C(=NO)NO;XFRXDZVYCQBNRZ-UHFFFAOYSA-N;118.1;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28799;MM28799;C=CN(O)C(=N)C=NN;IVZRDZWNIBXPBE-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28800;MM28800;NC(=O)NCC(=O)O;KZVRXPPUJQRGFN-UHFFFAOYSA-N;118.09;-1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28801;MM28801;C=C(C=NOC)OCC#N;ISXKCSHMODBXQN-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28802;MM28802;C=C(F)CNC(N)=O;UAJZKFLMJZTLKR-UHFFFAOYSA-N;118.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28803;MM28803;CCN(CC#N)N=COC;KLBASOSJQNVVEZ-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28804;MM28804;C=C(C)COC(N)=O;MNPKKYZUEZVQNJ-UHFFFAOYSA-N;115.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28805;MM28805;C#CC(O)C(C)(N)C#C;HYIWEHWWDCVQGG-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28806;MM28806;C#CC(C)C(O)C#CCN;MREHCRMMOVEYQB-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28807;MM28807;C=NN(C=O)C(C#N)CC;ARCMPXRRSKTLPF-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28808;MM28808;CN=CN(O)C=NC;AOXCWNOANCUUND-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28809;MM28809;CC=CC(=N)N(C=N)C=O;POCNWCVVRXETGN-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28810;MM28810;N#CC=C(N)N(C=O)C=O;QLVOCMADYNLRBH-UHFFFAOYSA-N;139.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28811;MM28811;CC(O)C=CC(C)O;AQSWYJHDAKIVIM-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28812;MM28812;CC(O)C=CC(C)F;CNFVWWXRSPVQCS-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28813;MM28813;C#CC(=O)N(C)N(C)C;BKSOPPRRPNWIND-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28814;MM28814;C=COC(C=NOC)OC;JKAIWSSCMNZCAS-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28815;MM28815;C=NN(C=COC)C(C)=O;QWSNIEIFZADMGU-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28816;MM28816;CC(=O)C=CC(C)O;BHLOMPMLNMZBRZ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28817;MM28817;CCC#CC(N)C(O)CF;HIJLQQKVYAIHOH-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28818;MM28818;C=NN(C=O)C(C)=COC;ZGJNWXQFRIBMLS-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28819;MM28819;C#CCC(O)C#CCN;JWZMEEIADYWJFE-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28820;MM28820;C#CC(CF)=NNC;DOLKYCSHMGTEAP-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28821;MM28821;N=CNN=COCC=O;RUJYHOJCMVCHMO-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28822;MM28822;CCC=NNC(=NN)NO;FERFGDWMDMSTCV-UHFFFAOYSA-N;145.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28823;MM28823;CN(O)C=NC(N)=O;UHPIULROQDUVQN-UHFFFAOYSA-N;117.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28824;MM28824;C=CC(C)(O)C(F)CN;BKCYVIGDUVSWDD-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28825;MM28825;CC(=O)C=CC(C)=O;OTSKZNVDZOOHRX-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-oxopent-2-enoic Acid";MM03386;CC(=O)C=CC(=O)O;XGTKSWVCNVUVHG-UHFFFAOYSA-N;114.1;0.22;107587;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28826;MM28826;COC(=O)N(N)C(C)=O;PXXZBLWUGRVXIL-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28827;MM28827;CNC(C#N)C(F)C#N;PYRBGRHFFVFVPN-UHFFFAOYSA-N;127.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28828;MM28828;CC(=O)C#CC(C)O;USZMBCHPJDNWEW-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28829;MM28829;CC(O)C#CC(=O)O;FQXFFJFQGSVUOP-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28830;MM28830;CC(=O)C#CC(C)F;FQCIWKPPBBSSDI-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28831;MM28831;CC(C)N(C=N)C(=O)C=O;DRFIVKDZKPTVSR-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16252;MM16252;CC(F)C#CC(=O)O;YKBQAMNURGDLDN-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28832;MM28832;CC(C)C(O)C#CCN;ZONMRMXEPSNMEC-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28833;MM28833;NC(=O)C#CC(F)F;RUKYFPHILVUCGF-UHFFFAOYSA-N;119.07;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28834;MM28834;C#CC(=N)N(C=O)C(=C)C;SLXUAXMBQYLOTA-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28835;MM28835;C=C(C)C#CC(N)=O;GADBBMULZCMCJV-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28836;MM28836;CC(=O)C#CC(C)=O;RNSUHNFHYWLYBN-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28837;MM28837;CN=C(NO)OCCC#N;YMVHLEZNVHGYMV-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28838;MM28838;CC(=O)C#CC(N)=O;VZJPMSVGMMCOFM-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28839;MM28839;CC(=O)C#CC(=O)O;OYVCPHJJFPNOTH-UHFFFAOYSA-N;112.08;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28840;MM28840;C=C(F)C#CC(N)=O;DZWKBTJMTAUEKP-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28841;MM28841;O=C(O)C#CC(=O)O;YTIVTFGABIZHHX-UHFFFAOYSA-N;114.06;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28842;MM28842;C=NOC(=O)CCF;QLLXKIVEAQDXQX-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28843;MM28843;C=CN(C=O)N(C)C;KYCKRQOFOSEYEZ-UHFFFAOYSA-N;114.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28844;MM28844;C#CC(=O)N(N)C=NC=O;QSLIJPOXMSRFKZ-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28845;MM28845;C=C(C)CC(O)C#CCN;QSMKCOLSCGCXCE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28846;MM28846;CC(F)=CCC(N)=O;UJOKDJICJVJPPG-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28847;MM28847;CC(=O)NC=C(C)C;BETWATDZFVZRJV-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28848;MM28848;CC(=O)NC=C(F)F;ZWQBBUCNZMJISE-UHFFFAOYSA-N;121.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28849;MM28849;CON(C(=N)C#N)C(C)C;WUHYYFVDZRAJIL-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28850;MM28850;NCC#CC(O)CC=CF;ILFGXXVMSQWZLH-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28851;MM28851;CC(C)=CNC(N)=O;HDRBKAWSHUNEAM-UHFFFAOYSA-N;114.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28852;MM28852;NC(=O)NC=C(F)F;BATOSJZBHCDMAT-UHFFFAOYSA-N;122.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28853;MM28853;CC(=O)NN=C(C)C;XLHDGJPPMZUJIM-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28854;MM28854;CCN=CN(O)CC=O;VQGWIWUFBJAXBN-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28855;MM28855;CC(C)=NNC(N)=O;HQDAJGNZGNZGCO-UHFFFAOYSA-N;115.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28856;MM28856;C#CC(=N)N(C=C)C(C)=O;BEIDNIHASQKSJE-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28857;MM28857;CC(O)COC=NNC=N;SDZLKFXWCVGJJT-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28858;MM28858;COC(OC)C(N)=CC#N;NVQYEJCWDRTTKH-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28859;MM28859;CC(O)CC(C)CO;PNJNLCNHYSWUPT-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28860;MM28860;CC#CC(C#N)=CN;MYGLQHUVDOGDQM-UHFFFAOYSA-N;106.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28861;MM28861;C#CC(=NOC)ON=C;NYLJMGZQSBGMJJ-UHFFFAOYSA-N;126.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28862;MM28862;CCN(C=N)C(=O)C#N;JJWAAZDCUUBIDY-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28863;MM28863;C=CN(N=C)C(=N)C#N;RZQNQUFKUZEHCG-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28864;MM28864;C=NOC(=O)C=COC=O;XCYQZAUUJCSCJC-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28865;MM28865;C=CC#CC(=N)N(C)C=O;YDQFHDVNFQDUEE-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28866;MM28866;CCCC(O)C#CCN;ZKAGWTBXFWIJBJ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28867;MM28867;CNN=CC(=N)N(C)O;AXSLKDPGFBPDGT-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28868;MM28868;CC(F)CC(O)CF;HWFYBYQZDXTOSC-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28869;MM28869;C=NOC(C#N)OCC#N;UNPUCVOGAZMSQB-UHFFFAOYSA-N;139.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28870;MM28870;CC=NOC(=NOC)OC;PITWOVNUNINTLL-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28871;MM28871;C#CC(=C)C(=O)ON=C;CXFJHGRGIFISIZ-UHFFFAOYSA-N;123.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28872;MM28872;CC(O)CC(F)CF;UFWRTYSXMIXMEQ-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28873;MM28873;C=NN(C=O)CCC#N;WBEZVVUNXCBIOB-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28874;MM28874;CC(F)CC(F)CO;VCUUBLZADQSEPO-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28875;MM28875;OCC(F)CC(F)F;OPWSYZVKUMUCCI-UHFFFAOYSA-N;128.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28876;MM28876;CN(C)N=CC(C)(F)C#N;RLYDYWOVNBIURH-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28877;MM28877;C=NN=CN(O)C(=N)NC;FBPMVPVTEBOSFV-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28878;MM28878;C=CC(=O)N(C=N)CC#N;BHUKGBJLYAAJMQ-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28879;MM28879;C=NN=C(OC)ON=CC;HQHPJQWRQGXRCT-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28880;MM28880;C#CC(C#N)=CN;MNJOJBMZDJHYNF-UHFFFAOYSA-N;92.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28881;MM28881;C#CC(CF)=NN(C)C;FPHRIGNBYRGCPC-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28882;MM28882;COC=NOC(C)COC;FOHMCGLKLZZMAU-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28883;MM28883;N=C(N)N(O)C=NC=O;NPVNPIKAGJVRNW-UHFFFAOYSA-N;130.11;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28884;MM28884;CNCC(F)C(C)(C)O;IPOBMIYRSSMHFG-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28885;MM28885;COC(C)C=NOCC#N;GMXWBUFBSBXOTM-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28886;MM28886;CCC=NN(C=O)CCF;ZUNRVEVVLAFUNO-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28887;MM28887;C=NN=CC(C)=CN;NPOZJICOXLOFNF-UHFFFAOYSA-N;111.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28888;MM28888;NCC=NOC(N)=O;VAEQAQARULUFLY-UHFFFAOYSA-N;117.11;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28889;MM28889;CC(C)CC(O)C=O;JXHLRWGQMIUGOS-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28890;MM28890;N=CNN=COCCO;PBKXXOWSCUJPBW-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM28891;MM28891;C=CC(O)CC(C)O;YCMQFCBQAPDWJW-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15484;MM15484;C=CC(O)CC(C)F;JHUWXLJCVXNXIC-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32889;MM32889;CC(F)CC(O)C=O;ORSCUNXRCIUOMT-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32890;MM32890;C=CC(O)CC(F)F;VDIOFPOXNWUMIG-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32891;MM32891;CC(O)CC(F)C#N;WGVOGGPUOMFHLC-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32892;MM32892;C=CN(O)C(=N)N(C)O;BRWKVNJJMXHDML-UHFFFAOYSA-N;131.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32893;MM32893;CC=NOC(C)(C#N)C#N;AYYHJDPQLJLDMK-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32894;MM32894;C=NOC(C=O)=NOC=O;PCGKGXOPVROPON-UHFFFAOYSA-N;144.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32895;MM32895;CNC(=O)ON=CCN;MIQWMGMVXQJNQK-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32896;MM32896;C=NN=C(NN)N(C)C=N;BPVCXHWOULDHCX-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32897;MM32897;C=CC(CO)C(=N)NN=C;IQQNCPJWHFSLHT-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32898;MM32898;C=CN(C=O)C(=O)ON=C;FIUXORBHDAUZTG-UHFFFAOYSA-N;142.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32899;MM32899;C#CC(C#C)C(=O)ON=C;OLMFULPGTAQEON-UHFFFAOYSA-N;135.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32900;MM32900;C=CN(C=O)C(=N)C#CC;RRJYVKCRXCYFSQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32901;MM32901;C=NOCC(F)(F)F;HFAYFPYXPKQJLB-UHFFFAOYSA-N;127.07;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32902;MM32902;CN(C=O)NCCC#N;VCRYPTZFERXWQJ-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32903;MM32903;C=CC(=O)C(=O)ON=C;WXMIARBLTSCSPU-UHFFFAOYSA-N;127.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32904;MM32904;CCN(O)C(=N)NO;SNMGFHGEFXVJEI-UHFFFAOYSA-N;119.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32905;MM32905;CC(C)CN(O)C=O;WQJFUPZUPXRUNQ-UHFFFAOYSA-N;117.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32906;MM32906;N=CNN=COCCC=O;BUSNEOLFUUCKHQ-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32907;MM32907;CNC(N)=C(C#N)CF;XQKHWDZRKAAJMF-UHFFFAOYSA-N;129.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32908;MM32908;C=C(C=O)C=NOCC#N;NNYWMZYPRLMRMI-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32909;MM32909;C=NOC(=O)C=NOC;QVASJDDZOFGBHF-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32910;MM32910;C=NN=CC(=O)ON=C;QPPYLNHJBOAURT-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32911;MM32911;C=CN(NC)C(=O)C#N;HWTBXXSDXXECHQ-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32912;MM32912;C#CC=NOCCC#N;PZICPBCJHWTTOX-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32913;MM32913;C=C(C=O)OC(N)=CC#N;IXRCCFPZTSYEDU-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32914;MM32914;C#CC=NOCOC(C)=O;FDTLHVDACPJVJC-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32915;MM32915;C=COC(=O)CNCC#N;FRYHLWYFPJIMAL-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32916;MM32916;C#CC(=O)N(N)C=NN=C;NKEUHDNPNHUUPP-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32917;MM32917;CC(CF)CC(N)=O;XSIFXYHMFAGUNH-UHFFFAOYSA-N;119.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32918;MM32918;CC(CO)CC(=O)O;ZGYGEPZZMAXSKH-UHFFFAOYSA-N;118.13;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32919;MM32919;CC(CF)CC(=O)O;UADMTAKPNCQPNT-UHFFFAOYSA-N;120.12;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32920;MM32920;C=CC(=N)N(C=O)CC#N;AGYIDOYCRWPRIE-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32921;MM32921;CC=NOC(C#N)OC=O;MVXNVBJBFROLSD-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32922;MM32922;CCC(=N)N(C=N)C(C)=O;FVHMKKREKNGWLY-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32923;MM32923;C=C(C)CC(O)CO;NXZZUZZMFUSSKE-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32924;MM32924;CCC(O)CC(C)=O;ODWYTDVNWFBCLV-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32925;MM32925;CC(=O)CC(O)CF;CVAGZGWBEVFVFV-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32926;MM32926;COC=NOC;RBERSAXSPRUWBL-UHFFFAOYSA-N;89.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32927;MM32927;C=C(C)CC(F)CF;WWURHVMVQWFNBL-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32928;MM32928;CC(=O)CC(F)CF;CJWFCFFLRGQCSB-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32929;MM32929;COCCC=NOC=O;MNDDGFFGLOFWQM-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32930;MM32930;C=NOC(C#N)=NN(C)C;LAFCXWWCSMKFSV-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32931;MM32931;CCC(F)CC(N)=O;PTRLYVBQQDJNKK-UHFFFAOYSA-N;119.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32932;MM32932;NC(=O)CC(F)CF;MUXMSUIJEIHSFY-UHFFFAOYSA-N;123.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32933;MM32933;CCC(F)CC(=O)O;CSTCRHCAGDNVKY-UHFFFAOYSA-N;120.12;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32934;MM32934;C=NOC(=O)CNCC#N;IVLMNIBOYITNOC-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32935;MM32935;C=NN(C=O)CC(=C)C#N;OVHCDIPYHTXSOF-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32936;MM32936;CC=NOC(=O)N(C)C=N;OTWSDYXZDDFZIV-UHFFFAOYSA-N;143.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32937;MM32937;COC(C)CC(=O)O;MXJDPWXQIVDAPH-UHFFFAOYSA-N;118.13;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32938;MM32938;COC=NOCC(C)OC;XDMONHXZDXJKIH-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32939;MM32939;CCOC(C=NOC)OC;KOWGGEIITFSHQN-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32940;MM32940;CC#CC(=O)N(N)C(C)=O;DHGHXRYIZSCWBD-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32941;MM32941;C#CC=NN(C)C=NN=C;GXNZHQQZSPQKOD-UHFFFAOYSA-N;136.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32942;MM32942;COCC=NOC(C)C#N;CWNXEZCPWLUQCU-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32943;MM32943;CCC(C)NC(N)=O;CBRSBDUOPJQVMP-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32944;MM32944;C#CC(=NC=O)N(N)C=O;ASNYYVOPCGRQDP-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32945;MM32945;COC(C)OC(C)=O;FMWCKLXINCGQFM-UHFFFAOYSA-N;118.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32946;MM32946;C#CC(OC)C(=O)ON=C;OBGATNVMGJVVNI-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32947;MM32947;CON=C(C)CF;CGYMSAYFICGIMP-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32948;MM32948;C=C(C)CC(C)C=O;AUYPKQURWYJDFV-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32949;MM32949;CC(=O)CC(C)C=O;IDAHIBMEKOEBRG-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32950;MM32950;CC(=O)CC(C)C#N;KTCGZVXFIGQRNB-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32951;MM32951;C#CC(=O)N(N)C(C)=O;OVXZIOUVIXUXCZ-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32952;MM32952;COCOC=NNC=N;JRRJZPKEKGLZEQ-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32953;MM32953;N#CC#CC(F)(F)C(=N)N;HRFXVOWPRMTXKP-UHFFFAOYSA-N;143.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32954;MM32954;CCOCOC=NNC=N;NJIDKCAGPABRSW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32955;MM32955;CC(C#N)CC(N)=O;LUZKPSLWCAUVSB-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32956;MM32956;C=C(F)CC(C)C=O;CKARXZXRDLNGBU-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32957;MM32957;C=CC(O)CC(C)=O;RJULJIFWGXGSCK-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32958;MM32958;CC(=O)CC(O)C#N;AFDHCFRVDAMAGP-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32959;MM32959;C=CC(O)CC(=O)O;AINRQBNLOBQURT-UHFFFAOYSA-N;116.12;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15358;MM15358;C=CC(O)CC(=C)F;SVJBSXGHNJFINL-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32960;MM32960;C=C(F)CC(O)C=O;HSAMROHWHPMOFG-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32961;MM32961;C=C(F)CC(O)C#N;HZCMEMLSGCCCBR-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15640;MM15640;C=C(C)CC(F)C=O;GSCCPKDZNLBREQ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32962;MM32962;C=CC(F)CC(C)=O;SJYZMMVIAKJUMR-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02355;MM02355;CC(=O)CC(F)C=O;NKVXTSWKJIBBGZ-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32963;MM32963;CC(=O)CC(F)C#N;LCNBWSOJRAUEDQ-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32964;MM32964;C#CC=NN(C)C=NOC;AHQMWCDDYHWDHQ-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32965;MM32965;C=CC(F)CC(N)=O;GUWYSYIXKVERQB-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-fluoro-4-oxobutanoic Acid";MM03541;O=CC(F)CC(=O)O;NKQSXVJNXQTISU-UHFFFAOYSA-N;120.08;;55266111;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyano-3-fluoropropanoic Acid";MM03192;N#CC(F)CC(=O)O;KKRRNMXLRWZWSR-UHFFFAOYSA-N;117.08;0.32;141879821;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32966;MM32966;CN(C=O)N=CCCCF;YTUXELSIWMDWBC-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32967;MM32967;C=CC(C)NC(N)=O;GUHGISJXMWTTIN-UHFFFAOYSA-N;114.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32968;MM32968;CC(=O)OC(C)C#N;BMJFWKRWVAQUPA-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32969;MM32969;N#CC(=CN)C(C#N)=CN;WPKKJGKMBSWXTJ-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32970;MM32970;CC=NOC(=O)COC;DRYLGKMGYWFOLD-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32971;MM32971;CC(C=O)OC(N)=O;VBXZALFGPASMIM-UHFFFAOYSA-N;117.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32972;MM32972;CC(C#N)OC(N)=O;JOILICOQPQETPO-UHFFFAOYSA-N;114.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32973;MM32973;C=NOC=NOCC#N;WHBVZMMUUCHYAU-UHFFFAOYSA-N;127.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32974;MM32974;NN(C=O)CC(=O)O;GVEITBCHWRJBEB-UHFFFAOYSA-N;118.09;-1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32975;MM32975;CC=CN(NC)C(=O)C#N;KTDAJAWWQKXWIE-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32976;MM32976;C=C(C)N(C=N)C(=O)OC;VWTZIXKSOIIVQL-UHFFFAOYSA-N;142.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32977;MM32977;C=CC(=C)N(O)C=N;VNLKIVNGHQWUTF-UHFFFAOYSA-N;112.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32978;MM32978;C=C(C)CN(O)C=O;KXEBGXKTLZETIZ-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32979;MM32979;COC(CO)CN(C)C;MVTNFMPLYMHLJD-UHFFFAOYSA-N;133.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32980;MM32980;O=CN(O)CC(=O)O;URJHVPKUWOUENU-UHFFFAOYSA-N;119.08;-1.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32981;MM32981;C=COCOC=NNC=N;HNQSAACQUIHPDY-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32982;MM32982;C#CC(=NN)C(C#C)OC;KFZPHWQRJXSMPQ-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32983;MM32983;CC(=O)ON(C)C=O;OCIRYGFRVRALTL-UHFFFAOYSA-N;117.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32984;MM32984;C=NN(C=O)CC=CC#N;ZVUWLXLRPRUAQO-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32985;MM32985;C=C(F)C(C)=NN;ALAUEWPQJVKSCC-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32986;MM32986;C#CC(C)CC(N)=O;MMPWIJIFMHKIFN-UHFFFAOYSA-N;111.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32987;MM32987;C#CC(O)CC(C)=O;NBCCNVNKIYDQLV-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32988;MM32988;C#CC(O)CC(=C)F;KVFNMPWZHZVPLJ-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32989;MM32989;C#CC(F)CC(C)=O;NDSJOIKPWCRMLL-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16449;MM16449;C#CC(F)CC(=O)O;JSEQLWXMVLZJDT-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32990;MM32990;C=NN=C(C=CN)C=CN;LVFHSZYELIJXSG-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32991;MM32991;CC(C#N)C(C#N)=CN;HXDFGYRKSCBPEN-UHFFFAOYSA-N;121.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32992;MM32992;CCOC(CO)CN(C)C;UIZMGQIRKNJUTB-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32993;MM32993;C=C(CO)CC(C)F;DLWAMMALKJIBLY-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32994;MM32994;COCC(F)C(N)=CC#N;UKEZFOMGVHSQDH-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32995;MM32995;C=C(CO)CC(F)F;NCKZVLHCCGTXAJ-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32996;MM32996;CC(C)CC(=O)CO;ARVGGOVEVYSUPQ-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32997;MM32997;CCC(=O)CC(C)O;XHYXKWWFNRBCGE-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32998;MM32998;CC(F)CC(=O)CO;NGBVEMJLFVBQED-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM32999;MM32999;CCCN(CC#N)CC#N;MACIRNCHMFSHHX-UHFFFAOYSA-N;137.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33000;MM33000;CC(C)N(CC#N)CC#N;CHTLMEQEZOFRHT-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33001;MM33001;C#CC(=N)N(N)C(=O)OC;RIBCNVZOTBANNC-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33002;MM33002;C=NOCOC=NNC=N;ACQMVWGVERDDBF-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33003;MM33003;CC(C)CC(=O)NO;DLWIAAUWQGZUQO-UHFFFAOYSA-N;117.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33004;MM33004;C=C(C=O)C(=N)N(C)C=O;YLEUZKQRLJYKNX-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33005;MM33005;COC(=O)CC(C)O;LDLDJEAVRNAEBW-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33006;MM33006;COC(=O)CC(C)F;HHVNBSHYSSLWKU-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33007;MM33007;COC(=O)CC(F)F;VKWKRFYQWSAEFV-UHFFFAOYSA-N;124.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33008;MM33008;CNC(C#CC(C)F)CO;KTZCXHIQISXBGN-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33009;MM33009;C=NN=CN(C)N(C)C=O;FZZLLTKRCCQBID-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33010;MM33010;CC(C)NC(=O)CO;IJVSBMIEGLIRIA-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33011;MM33011;C#CC(=NN=C)N(N)C=O;IQXNSULWJWIDRN-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33012;MM33012;C#CC=CN(C=O)C=NC;IJRJYLMYDYAXEB-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33013;MM33013;CNC(=O)NC(C)C;YLFYUSNPIHLTBP-UHFFFAOYSA-N;116.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33014;MM33014;C=NOCC(F)(F)C#N;PHVLUCPTDANKLN-UHFFFAOYSA-N;134.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33015;MM33015;COC(=O)NC(C)C;PWFYXEJZPCACLT-UHFFFAOYSA-N;117.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33016;MM33016;C#CC(C)=NOCOC;XDCQGADCEQCENZ-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33017;MM33017;CC(C)OC(=O)CO;AZKIQQBSVTWCGY-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33018;MM33018;C#CCN(C=O)N=CC;YWDYGGWVVHNCDI-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33019;MM33019;C#CCC#CC(N)CO;GPOSFZZHNLIMPJ-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33020;MM33020;CNC(=O)OC(C)C;ZLQUUMARLOVRLO-UHFFFAOYSA-N;117.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33021;MM33021;CC(C)OC=NNC=N;NMZYYCRRVGRZNU-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33022;MM33022;CC(C)OC(=O)NO;AQDGKHKJECDYJT-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33023;MM33023;COC(=O)OC(C)C;RCIJMMSZBQEWKW-UHFFFAOYSA-N;118.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33024;MM33024;C=CC(C)CN(O)C=N;SCPJOJKNXCXIDK-UHFFFAOYSA-N;128.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33025;MM33025;C=C(F)CCN(O)C=N;ZZKRDSQJKZXFAF-UHFFFAOYSA-N;132.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33026;MM33026;C=NN(C=O)CC=CF;IYGABDJNVHVIQD-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33027;MM33027;C=CC(=O)C=C(N)N(C)C;DYINFLUEBKIQPF-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33028;MM33028;CN(C)NC(=O)CF;BDLMDSRQBUPDRK-UHFFFAOYSA-N;120.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33029;MM33029;CON=CC(C)(C#N)C=O;HOYUYMBQRMNSTO-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33030;MM33030;CNC(=O)NN(C)C;ARALPBQCGKVIJW-UHFFFAOYSA-N;117.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33031;MM33031;CN(C)NC(=O)NO;UTWBVBCGSJKABE-UHFFFAOYSA-N;119.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33032;MM33032;C=C(C=O)CC(C)F;FAAWVDWEPUERJJ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33033;MM33033;C=C(C=O)CC(F)F;QORFLKUMNLHBRA-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33034;MM33034;C=CC(=O)CC(C)C;CMXNFXBFNYHFAL-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33035;MM33035;CC(O)CC(=O)C#N;ZNTXQUFIBCBSNN-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33036;MM33036;C=CC(=O)CC(C)F;FHPUDQLJYIWAFH-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33037;MM33037;CC(F)CC(=O)C=O;JFFHYMNQSLCRGA-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33038;MM33038;CC(F)CC(=O)C#N;MLDORTBYRZHRBF-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33039;MM33039;N#CC(=CN)C(F)F;ADIFVARUKNWKJK-UHFFFAOYSA-N;118.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33040;MM33040;C=NOC(=O)N(C)OC;OXRJXEISROJYKW-UHFFFAOYSA-N;132.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33041;MM33041;CC(C)NC(=O)C=O;CNJVOMZQMWXYQM-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33042;MM33042;CC(C)NC(=O)C#N;KFOUKYRHDICOME-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33043;MM33043;CC(C)OC(=O)C=O;KIFFSTLDKYVBBI-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33044;MM33044;CC(C)OC(=O)C#N;MLLYPIKBTHTPEJ-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33045;MM33045;CNC(=CC#N)COC;XVTYHWATMPGDTN-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33046;MM33046;N=C(N)C(F)(F)C#CC=O;LTOYVQKCGYTWFU-UHFFFAOYSA-N;146.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33047;MM33047;C#CC(=C)C(=N)NO;KZLJPXFNHCWFIT-UHFFFAOYSA-N;110.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33048;MM33048;C#CC#CC(F)(F)C(=N)N;WEZNUYGLJYNLTR-UHFFFAOYSA-N;142.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33049;MM33049;CN(C)NC(=O)C=O;KECAPOOHTLIZLZ-UHFFFAOYSA-N;116.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33050;MM33050;CN(C)NC(=O)C#N;KDOSVINWSQUCTR-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33051;MM33051;C#CC(=O)CC(C)O;RQUNCWHDFLYIIL-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33052;MM33052;C=CN(N=C)C(=O)N(C)C;FUGSYKPRBIZWBS-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33053;MM33053;C#CC(=O)NC(C)C;GWLCOGAYMMOKBU-UHFFFAOYSA-N;111.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33054;MM33054;C#CC(=O)OC(C)C;OXXHZTDBNXEEFU-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33055;MM33055;C=CCOC=NNC=N;NNTIRNOYZKMKSO-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33056;MM33056;C#CC(=O)NN(C)C;DAILFAAQIJQQMG-UHFFFAOYSA-N;112.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33057;MM33057;C=C(C)CC(=C)CO;RHOKSQUEEKOMRD-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33058;MM33058;C=C(CO)CC(C)=O;YHYMQVLRPWRNAM-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33059;MM33059;CCN(CC#N)C(C)C#N;YPDUJTSUDRQDFP-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33060;MM33060;CNC(NC)=C(C#N)OC;GBCPCBMVFMUWNP-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33061;MM33061;N#CCOC=NNC=N;XIQLIYBBTWBGHP-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33062;MM33062;C=C(CO)CC(=O)O;INMAIWXSHXXKSO-UHFFFAOYSA-N;116.12;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hexane-2,4-dione;MM02948;CCC(=O)CC(C)=O;NDOGLIPWGGRQCO-UHFFFAOYSA-N;114.14;0.94;76355;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-fluoropentane-2,4-dione;MM02977;CC(=O)CC(=O)CF;CVZIHXRHSDYALS-UHFFFAOYSA-N;118.11;0.5;422853;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33063;MM33063;C#CCOC=NNC=N;RVNITQUVDPJWBO-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33064;MM33064;C=C(F)CC(=O)CO;RTYPFDGYUDLJEK-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33065;MM33065;N#CC=CNC(C#N)=CN;MXJAYLATDHMXFT-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33066;MM33066;CC(=CC#N)N(C=N)C=O;IYQFRCIWCRNRBE-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33067;MM33067;N#CC=C(F)C(C#N)=CN;MCXZKPFIIZGQRJ-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33068;MM33068;CC(C#N)OC=NNC=N;UNEJKKOCTPSZPJ-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33069;MM33069;CC(C)OC=CC(=N)NO;XYFUBSLORRHFNP-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33070;MM33070;CNC(=O)CC(C)=O;ATWLCPHWYPSRBQ-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33071;MM33071;NC(=O)CC(=O)NO;SOTMTJGVMPZLAS-UHFFFAOYSA-N;118.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33072;MM33072;C=C(CC(C)=O)OC;ZKTWFURGUOIHIF-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33073;MM33073;COC(=O)CC(C)=O;WRQNANDWMGAFTP-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33074;MM33074;COC(=O)CC(=O)O;PBVZQAXFSQKDKK-UHFFFAOYSA-N;118.09;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33075;MM33075;C=C(CO)NC(C)=O;YUMSAIUZGXSBGG-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33076;MM33076;COC=NN=CC=NOC;SGNXQNAUSBQZPY-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33077;MM33077;C=C(CC)NC(N)=O;ZFYQAVQGSBVROR-UHFFFAOYSA-N;114.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33078;MM33078;C=C(CF)NC(N)=O;VLQSWBLEDNJVIL-UHFFFAOYSA-N;118.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33079;MM33079;COC(C=NN)=CF;SBOVDYHGYXMMPR-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33080;MM33080;CNC(C#N)C(C)(F)C#N;AWJWVFBNSRZCEY-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33081;MM33081;C=CCOC=CC(=N)NO;LAZJBVVYQGYSDQ-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33082;MM33082;N=C(CO)NC(N)=O;IWKXHIBBSJTNSH-UHFFFAOYSA-N;117.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33083;MM33083;N=C(CF)NC(N)=O;MWMIAAVXROSUIL-UHFFFAOYSA-N;119.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33084;MM33084;C=C(C)NC(=O)CO;SGAOUSQSHYMXQB-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33085;MM33085;C=C(C)NC(=O)CF;LOWNOTXUSOLNHY-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33086;MM33086;CC(=O)NC(=O)CF;DMHCDZFABSKOSK-UHFFFAOYSA-N;119.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33087;MM33087;C#CC=C(OC)C(N)CO;HEIXGLJVBJNOIB-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33088;MM33088;C=C(CO)C(C)(N)C#CC;OMXPYXSUDAQLGT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33089;MM33089;C#CC(C)OC=NNC=N;ZHXZSZNWEVXNGO-UHFFFAOYSA-N;139.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33090;MM33090;N=CNN=COCC=NN;YFBIRKYYZOIYGF-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33091;MM33091;N=CNC(=N)C(F)C=O;KUDOUMUCTRFXRW-UHFFFAOYSA-N;131.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33092;MM33092;COC=NNC=N;VNCYMIFALBPRKW-UHFFFAOYSA-N;101.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33093;MM33093;C=C(C)NC(=O)NO;GJDKFWHELPJVDV-UHFFFAOYSA-N;116.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33094;MM33094;CCOC=NNC=N;OYBCUFCAFNFBJJ-UHFFFAOYSA-N;115.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33095;MM33095;CCCOC=NNC=N;SVFKWCCQWNOWPO-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33096;MM33096;CNC(=O)NC(N)=O;ARXFNPUIMZCMPW-UHFFFAOYSA-N;117.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33097;MM33097;NNC(=O)NC(N)=O;RDXSNHQCPIVUQU-UHFFFAOYSA-N;118.1;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33098;MM33098;NC(=O)NC(=O)NO;XRLMKGZHMDSCFU-UHFFFAOYSA-N;119.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33099;MM33099;COC=COC=NN(C)C;OHFAYROQCVXRSL-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33100;MM33100;C=C(NC(C)=O)OC;HTJQQQWACZKIJV-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33101;MM33101;C=NOC(=O)C#CC=NN;FARRIIWPZIODQE-UHFFFAOYSA-N;139.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33102;MM33102;C=C(NC(N)=O)OC;AXBBAIYBSJZWHU-UHFFFAOYSA-N;116.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33103;MM33103;CC=NOCOC(=O)C#N;WXTKKNYRNDNYBN-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33104;MM33104;C=C(C)NC(=O)OC;XKMKUJWAKBWJNC-UHFFFAOYSA-N;115.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33105;MM33105;COC(=O)NC(C)=O;NWXPCXZSHMVPFK-UHFFFAOYSA-N;117.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33106;MM33106;COC(=O)NC(N)=O;ICYIIEFSHYSYRV-UHFFFAOYSA-N;118.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33107;MM33107;C=C(CO)OC(C)=O;HHLZGPDFORLABZ-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33108;MM33108;C=NN(CCC#N)C(C)=O;ICSVWHHGSBNGEG-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33109;MM33109;C=C(C)OC(=O)CO;AFLWAIAIGBPSBK-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33110;MM33110;N=CN(C=O)C=COC=O;ZHKGPAUFZAVOQQ-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33111;MM33111;CCC(C#N)N(C)CC#N;UKJJMAGTRVEYQR-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33112;MM33112;CC=NOC=O;ASUHGRZPPPGEOI-UHFFFAOYSA-N;87.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33113;MM33113;CC(N)C(C)(C)N=CNO;OKBHHQWPDNUXJX-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33114;MM33114;C#CC#CC(N)CC(C)O;CYSABDWYMMCCFB-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33115;MM33115;C=C(C)C#CCNCCO;AGSDACNLIPZBSK-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33116;MM33116;N=CNN=COCCCF;MTELHKDJODFXPE-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33117;MM33117;C=CCCOC=NNC=N;KBGMUDNXJBNLMH-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33118;MM33118;C=C(C)OC(=O)OC;SFIYEZRUWWEQPM-UHFFFAOYSA-N;116.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33119;MM33119;C=C(C)CC(=C)C=O;PRWQSPOWLSGJMH-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15798;MM15798;C=C(C=O)CC(C)=O;NYWHOTVKYIPEGZ-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33120;MM33120;C=CC(=C)CC(N)=O;QJCAFILOSPAUEZ-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-formylbut-3-enoic Acid";MM03668;C=C(C=O)CC(=O)O;XUHQOMOQLWKGOE-UHFFFAOYSA-N;114.1;0.22;20497658;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33121;MM33121;C=CC(=O)CC(=C)C;WIUIPOJIZUXWRR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15594;MM15594;C=C(C)CC(=O)C=O;CIZYHXOZSDXKSH-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15568;MM15568;C=C(C)CC(=O)C#N;TWYSJBXDSZVPIF-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15591;MM15591;C=C(F)CC(=O)C=O;FJUUEAMCBWLYBA-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15565;MM15565;C=C(F)CC(=O)C#N;HKXATVLURNPNHP-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33122;MM33122;C=NN=CC=C(C)N;OGJFCLHDUAZHCK-UHFFFAOYSA-N;111.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33123;MM33123;N#CCC(C#N)=CN;AIEGMOKTCPCREZ-UHFFFAOYSA-N;107.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33124;MM33124;C=C(C#N)NC(C)=O;QODMSLCXVLMDIK-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33125;MM33125;C#CC(CF)=NNCC;HZMSBHZGZJZWJP-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33126;MM33126;C=C(C#N)NC(N)=O;KVPSYZMQOPGNHX-UHFFFAOYSA-N;111.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33127;MM33127;CON=CCOCC#N;KMDDLQODSFSSFB-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33128;MM33128;C#CCOCC(=O)ON=C;OPGOJYDCUAAMEF-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33129;MM33129;C#CCN(C=O)N=CCC;PLGAIZSUPYOXBO-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33130;MM33130;N#CCCOC=NNC=N;ZCXJWQZZZHGGEN-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33131;MM33131;C=CC(N)(C#CC)CCO;RYYPVHLCIAUICL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33132;MM33132;CC(=O)NC(=N)C#N;XRDUBKDNEYOWKH-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33133;MM33133;CC=CC(N)(CF)CCO;ADLQCASPPWWQQQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33134;MM33134;N#CC(=N)NC(N)=O;KMOCLYUDXMATKI-UHFFFAOYSA-N;112.09;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33135;MM33135;C=C(C)NC(=O)C=O;GUZIGTRQQAPSOD-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33136;MM33136;CC(=N)NC(=O)C#N;ZNZHMXPLFRFQBB-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33137;MM33137;C=CC(=O)NC(C)=O;RUSRUYULUAYXIP-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33138;MM33138;CC(=O)NC(=O)C=O;PDTZMILDFSEVTG-UHFFFAOYSA-N;115.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33139;MM33139;CC(=O)NC(=O)C#N;ZFPDMZPSFISZTC-UHFFFAOYSA-N;112.09;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33140;MM33140;N#CC(=O)NC(N)=O;GSGVMCBNHJFNOM-UHFFFAOYSA-N;113.08;-1.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33141;MM33141;C=C(C=O)OC(C)=O;KZXGVPUVGLDUOT-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33142;MM33142;C=C(C)OC(=O)C=O;XLUUMYDJWJJGSA-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33143;MM33143;C=C(C)OC(=O)C#N;JJBNOMUSDUKPAZ-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33144;MM33144;C#CC(=C)CC(C)=O;MIKNDWWYKLOMMQ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33145;MM33145;C=NN(C=O)C(C)CC#N;UGTRALQVDDRCHB-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33146;MM33146;C#CC(=C)CC(N)=O;YNADHVKKLFQCQR-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33147;MM33147;C#CC(=O)CC(=C)C;DFVPTHXXZGKYKP-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33148;MM33148;C#CC(=C)NC(C)=O;CXWURSVNZLBVRC-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33149;MM33149;C#CC(=C)NC(N)=O;GRJHANCGHCPVFM-UHFFFAOYSA-N;110.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33150;MM33150;C=NOC(=O)C(=C)C=O;LGKUIDMNHLMODQ-UHFFFAOYSA-N;127.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33151;MM33151;CNN=CC(=CF)OC;BGLLBBRAUIZLAU-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33152;MM33152;C#CC(=N)NC(C)=O;YKMMFWLSLMCFHO-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33153;MM33153;C#CCN(C)N(C)C(C)=O;WFGAISTZZYRBEF-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33154;MM33154;C#CC#CCNCCCO;JSZPVIIVQOVNSA-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33155;MM33155;C#CCCOC=NNC=N;JWJMTKNJEBMQNX-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33156;MM33156;C=CC(C#CCCO)NC;OKMQCINDQZZKNX-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33157;MM33157;C#CC(=O)NC(N)=O;ADOTXBYIOFHTLO-UHFFFAOYSA-N;112.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33158;MM33158;CNC(=O)C(N)C(C)C;OKTIZBDONHCJEL-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33159;MM33159;COCC(CF)=NN;HONRZXOEUFTQRX-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33160;MM33160;CCC(=O)NCCN(C)C;XZDYKCBCLMOUAX-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33161;MM33161;CC(=NO)OC(C)C;FFVAVXZJHRBTJM-UHFFFAOYSA-N;117.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33162;MM33162;C=NOC(C)(C#N)C#N;XWQBNGKZRPFKBT-UHFFFAOYSA-N;123.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33163;MM33163;CN(CC#N)C(C)(C)C#N;RIEWTUYSEOJJJY-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33164;MM33164;C#CC(C#N)(OC)ON=C;YTASTLDUZFSCDZ-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33165;MM33165;COC(N=C(C)NN)=NN;UMXXQUCMBWHLIU-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33166;MM33166;CC(=CF)CC(N)=O;JVIPILNMBPAXQB-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16543;MM16543;CC(=CF)CC(=O)O;KYTOOOKYHQXBNK-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33167;MM33167;CCCC(C)C(N)C(N)=O;UGLNIHCCTPSWOX-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33168;MM33168;CC=C(F)CC(N)=O;LPFDXTNIWBTIBL-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33169;MM33169;CC(=O)CC(C)=NO;LLCDXFIRMNFERF-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33170;MM33170;C#CC(CF)NC=NN;HCKVCWAPYKBYHQ-UHFFFAOYSA-N;129.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33171;MM33171;CC(CC(=O)O)=NN;YUGINPBFHFJHAT-UHFFFAOYSA-N;116.12;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33172;MM33172;CC(=O)NC(C)=CF;GCDZPKXXNQJZFO-UHFFFAOYSA-N;117.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33173;MM33173;C#CC(C=NN)(OC)OC;UMDFYHCTXDKXEX-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33174;MM33174;CCCN(C=N)C(=O)C=O;AUMMSQMYGWUDMO-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33175;MM33175;CC=C(C)NC(N)=O;ARICZHUERQNHQA-UHFFFAOYSA-N;114.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33176;MM33176;CC(=CF)NC(N)=O;IJCUUFAELDAQOB-UHFFFAOYSA-N;118.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33177;MM33177;CC=NOC(C=O)=NOC;UMDCTPHNBBEPKG-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33178;MM33178;N#CCNC(C#N)C(=N)N;MXMMBISVIPOVDU-UHFFFAOYSA-N;137.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33179;MM33179;CC=NNC(=NN)NC;NBVYUMAVCIDIRR-UHFFFAOYSA-N;129.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33180;MM33180;CC(=O)NC(C)=NN;LHCXTOSAFRTUNZ-UHFFFAOYSA-N;115.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33181;MM33181;CC(=O)NC(C)=NO;DKIIEQYUIXKHMC-UHFFFAOYSA-N;116.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33182;MM33182;CC(=NO)NC(N)=O;MKCPXSJLXQTERE-UHFFFAOYSA-N;117.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33183;MM33183;CC(=O)OC(C)=NO;MGDWLHSLCMPRLR-UHFFFAOYSA-N;117.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33184;MM33184;CC(=NO)OC(N)=O;PXJRRAWHMRGONQ-UHFFFAOYSA-N;118.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33185;MM33185;C=NOC(=O)N=CN(C)C;ULMCRMIUFSMFMX-UHFFFAOYSA-N;143.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33186;MM33186;CC(C)=NN(C)C(=N)C#N;WJFMMGXBMROABR-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33187;MM33187;CN(C)N=COCCC#N;YZLDPDOKBBQZPR-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33188;MM33188;CN=CN(CCF)C(C)=O;VSFCUDJZDPEMMY-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33189;MM33189;CC(C)=CC(O)CO;DHMLLSHDCXRZEK-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33190;MM33190;OCC(O)C=C(F)F;NZGFXXGUMASDSA-UHFFFAOYSA-N;124.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33191;MM33191;COC(C#N)ON=C(C)C;FFRLUOJBRHSEKV-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33192;MM33192;C#CC(C)N(C)N(C)C=O;JBJNALYHMWWXJH-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33193;MM33193;COC=NN(C)CCC#N;ZWJXBMKQCDJJST-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33194;MM33194;C#CC=CC=NN(C)C=O;ZOSMDRSQJSWWJF-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33195;MM33195;CC(C)=CC(C)C=O;SIFYSLXKTLZHHZ-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33196;MM33196;N#CC#CCN(C=N)C=O;XYZTVEGODDBXQY-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33197;MM33197;CC(C)=CC(O)C=O;GKADNSKTWPHMMD-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33198;MM33198;CC(F)=CC(O)C=O;KGPGKXVJKINBEP-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33199;MM33199;CC(F)=CC(O)C#N;WCISUVQFWAYRGT-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33200;MM33200;O=CC(O)C=C(F)F;KXHGALKBBMEGCZ-UHFFFAOYSA-N;122.07;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33201;MM33201;N#CC(O)C=C(F)F;GXEVSRQZTMBKBA-UHFFFAOYSA-N;119.07;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33202;MM33202;CC(F)=CN(C)C=O;AZEAYKVIMXBWTI-UHFFFAOYSA-N;117.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33203;MM33203;C#CC#CCN(C=N)C=O;HEGRYMORDPRSDQ-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33204;MM33204;CCON=COC;BKOLECYRZCRSBD-UHFFFAOYSA-N;103.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33205;MM33205;C=NN(C=O)CCF;ZNDLSMNTPSKNRP-UHFFFAOYSA-N;118.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33206;MM33206;C=NOC(=O)C=CC=O;MVFIVRKSRCOHHB-UHFFFAOYSA-N;127.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33207;MM33207;CC(F)C(C#N)=C(N)N;VDZNVQZUWCTCBS-UHFFFAOYSA-N;129.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33208;MM33208;CC(C)=CN(O)C=O;VJUPCPLLZLOBRU-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33209;MM33209;CC#CC(C#N)C(=N)NC;CPWCQTVUZRYIID-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33210;MM33210;CC(F)=CN(O)C=O;OILDNORQJXKXPE-UHFFFAOYSA-N;119.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33211;MM33211;CNN=CC#CC(C)(F)F;PAQJXWDDHCCRPO-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33212;MM33212;CC(C#N)CNN(C)C=O;FZGLDWLOFMVQDV-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33213;MM33213;C=NN(C)C(=O)ON=CC;ZVUPSVGUNYBXPK-UHFFFAOYSA-N;143.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33214;MM33214;C#CC(O)C=C(C)C;QFRQPXWPVIBXJL-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33215;MM33215;C#CC(O)C=C(C)F;SYINZVUGCGLOTA-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33216;MM33216;CC(C)=CC(=O)CO;WSEFDTUEBNIDDT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33217;MM33217;CCC(=O)C=C(C)N;CAVGDVLMRCBPRF-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33218;MM33218;CC(N)=CC(=O)CF;DSUJLFHECAVGHQ-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33219;MM33219;CC(F)=CC(=O)CO;IKUBTMGNOVGMGV-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33220;MM33220;C=NN=C(C=O)ON=CC;FXZCVVWGLYYBMV-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33221;MM33221;C#CC(=N)N(C=O)C(C)C;AGJYVROHGKAMOB-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33222;MM33222;C=NOC(=NN)C(=N)N;WPVQLGVDAHHABS-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33223;MM33223;CC=NNC(=N)C=C(N)N;JCMAYRZKVRWBCS-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33224;MM33224;C#CC(=C)N(C=N)C(C)=O;MBVMTXOVJYSBKM-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33225;MM33225;C=NOC(C#N)OC=O;LXFIOKYTABDEAE-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33226;MM33226;C=CN(C)C=NNCC;JCMXPWWDNXLEGK-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33227;MM33227;C=NN(CC)C(=O)OC;ZKPUKYGQPZERHV-UHFFFAOYSA-N;130.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33228;MM33228;CC(F)=CC(=O)NO;BIQSDNHGWILVRH-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33229;MM33229;NNC(=O)C=C(F)F;YZDZLLSPMURXJB-UHFFFAOYSA-N;122.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33230;MM33230;COC(=O)C=C(C)N;XKORCTIIRYKLLG-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33231;MM33231;CC(C)=CC(=O)C#N;GBUKOZQUKPOCDW-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33232;MM33232;C=CC(=O)C=C(C)N;RBHUPAYMYIVGJI-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33233;MM33233;CC(N)=CC(=O)C=O;XDOBOKFKLJCBTJ-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33234;MM33234;CC(N)=CC(=O)C#N;ZZDSGYYCYIJKSU-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33235;MM33235;CC(F)=CC(=O)C=O;XAMPXCGUBRTUIT-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33236;MM33236;NC(N)=CC(=O)C=O;IMEVAGKBNNAFSR-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33237;MM33237;C#CC(=O)C=C(C)N;TXZIJEWRRPKIFO-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33238;MM33238;C=C(C#N)N(C)C(=N)C#N;PMZQYCSSOQOOFC-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33239;MM33239;CON=CNCCC#N;QCYKNERWLLPXSX-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33240;MM33240;N=CN(N)C(=N)ONC=O;JTYWDEFPXJRTOT-UHFFFAOYSA-N;145.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33241;MM33241;CC(=CC(C)O)CO;SJVVGTOWRPXKPU-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33242;MM33242;CC(=CC(C)O)CF;UBEOQBNSTJHUNI-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33243;MM33243;CN(C=O)N=CC=CC=O;DWRVDHIWBYZSRG-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33244;MM33244;CC=CN(C=N)C(=O)OC;SHHGBPSZUNFZHA-UHFFFAOYSA-N;142.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33245;MM33245;CC(O)C=C(F)CO;NTOUHWBPAZXQAP-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33246;MM33246;CC(O)C=C(F)CF;HLXZUUPHQLKFGB-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33247;MM33247;N=CN(C=O)CC#CCF;YOIWDFOKHWEHKP-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33248;MM33248;C=CN(C=O)N=C;AMMUHXMWFQKXAB-UHFFFAOYSA-N;98.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33249;MM33249;C#CC(C#N)=C(C)N;YZDRKFKVMQGSTR-UHFFFAOYSA-N;106.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33250;MM33250;CC(C=O)=CC(C)O;BXPPKKXTZCFVDA-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33251;MM33251;CC(C=O)=CC(F)F;UFAMEAGXZNROPJ-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33252;MM33252;CC(O)C=C(F)C=O;AYBWRXLICVSOMW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33253;MM33253;C=COC(C)=NN(C)C;ZGHFAWHOFCFSOQ-UHFFFAOYSA-N;128.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33254;MM33254;CN(C)C(=O)N(N)C=O;LNGQRNMBIGLAHJ-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33255;MM33255;CC=NOC(=O)N(C)C;XBHVCXQFJKYVMD-UHFFFAOYSA-N;130.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33256;MM33256;CC(=O)C=C(C)CO;ZENGABJDJSKJCW-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33257;MM33257;CC(=O)C=C(C)CF;PQNIFCDQVBLEQS-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33258;MM33258;CC#CCN(C=N)C=O;BZXMGKCRRZAOJV-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33259;MM33259;C=CNC=NNCC;JXPJUSRUVYQRGV-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33260;MM33260;C#CC(COC=O)=NN;OZVZWYHVQNFDOB-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33261;MM33261;CCC(N)=CC(C)=O;JTJBNFASMDKBCE-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33262;MM33262;N=CNN=COC=NO;XLZXOZGNQYVAQO-UHFFFAOYSA-N;130.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33263;MM33263;NC(=CC(=O)O)CF;HQECBUKHGBUQNQ-UHFFFAOYSA-N;119.1;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33264;MM33264;CC(=O)C=C(F)CO;ADMUSAHEKULITK-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33265;MM33265;CNC(C)=CC(C)=O;FNMKFVXIVPDFBL-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-(methylamino)but-2-enoic Acid";MM03451;CNC(C)=CC(=O)O;HWMJTSDZYMEXDM-UHFFFAOYSA-N;115.13;0.19;73668069;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33266;MM33266;CNC(C=O)C=O;PYVVLDUXNFUGSA-UHFFFAOYSA-N;101.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33267;MM33267;COC(C)=CC(C)=O;CDWAKLKSWYVUSL-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33268;MM33268;C#CC(C#C)(C#N)ON=C;MLGRGDYIOZWCPR-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33269;MM33269;COC(N)=CC(C)=O;JARVIBHVJGYPGL-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33270;MM33270;COC(N)=CC(=O)O;POHIACNNVXJMIV-UHFFFAOYSA-N;117.1;-0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33271;MM33271;CC(=O)C=C(C)C=O;PFLPZDBOPDYOJU-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33272;MM33272;COC(=O)N(C=N)C(C)C;JJPJVNHNBPTTPC-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33273;MM33273;C#CC(=NO)C(=N)NN;XIGQJFAQMLUMFI-UHFFFAOYSA-N;126.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33274;MM33274;CNN=CNCCC#N;YFSVNUVSYOVFMB-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methyl-4-oxobut-2-enoic Acid";MM03387;CC(C=O)=CC(=O)O;VXAWORVMCLXEKH-UHFFFAOYSA-N;114.1;0.22;54136575;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33275;MM33275;C=CC(N)=CC(C)=O;VOFWUUNZSKFMCL-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33276;MM33276;CC(=O)C=C(N)C#N;KHBPNAQVWVRTLA-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33277;MM33277;C#CC(=C)N(C=NO)NC;WTNUXSMLTBANOE-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33278;MM33278;CC(=N)NC=NOC=O;UEODAOIWYMYPAW-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33279;MM33279;N#CC(N)=CC(N)=O;KHVMXVARRVLWHP-UHFFFAOYSA-N;111.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-aminopenta-2,4-dienoic Acid";MM03337;C=CC(N)=CC(=O)O;ONHCUMOSOPPVTK-UHFFFAOYSA-N;113.12;0.1;59965945;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33280;MM33280;NC(C=O)=CC(=O)O;HKCITUPHHADJEN-UHFFFAOYSA-N;115.09;-0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33281;MM33281;CC(=O)C=C(F)C=O;RYMBKCYEOJLCSH-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33282;MM33282;CC(=O)C=C(F)C#N;UQQWNIUFTZBAHW-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33283;MM33283;C=C(C)N(OC)C(=N)C#N;DHRHINFMUUMZKW-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33284;MM33284;CC=C(C#N)N(C=O)NC;NPXUCXKTXFQCIZ-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33285;MM33285;C#CC(C#N)=C(N)OCC;SHBATJVCIMCGCV-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16206;MM16206;O=CC(F)=CC(=O)O;ZNPHITVFKVACKT-UHFFFAOYSA-N;118.06;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33286;MM33286;COCON=CC=NOC;PWHXECVBPJCVGN-UHFFFAOYSA-N;146.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33287;MM33287;C=CNC(=N)C(=O)NC=N;IOPTWQGXPMAPIL-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33288;MM33288;C#CC(N)=CC(C)=O;SPEOQWLBDQSBNG-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33289;MM33289;C#CC(C#C)=NN;FEIMUBXFYRWNDK-UHFFFAOYSA-N;92.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33290;MM33290;C#CC(F)=CC(N)=O;BDSKKQIRRZJFTJ-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33291;MM33291;CCC1(C)CC1(C)C;CBKVKJDWYRUKGH-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33292;MM33292;CN(C)C(N)=CC=O;MDBHVPUIHPLTBZ-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33293;MM33293;N#CC(CF)=C(N)N;ILCSLFBNOSCWCW-UHFFFAOYSA-N;115.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33294;MM33294;CC(C)N(N)C=NO;LRJHSOSGTIDYPK-UHFFFAOYSA-N;117.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33295;MM33295;CNC(C#N)(C=O)C=O;DWHNIRREOKYZRU-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33296;MM33296;C#CC(F)(F)CNCC#N;PICCKQGOMXHHBK-UHFFFAOYSA-N;144.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33297;MM33297;FCCCCC(F)F;PETIZYBUTVLNOQ-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33298;MM33298;C#CC(N)=CC(=O)ON=C;UIMAATHZIKCNIW-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33299;MM33299;COC(N)=C(C#N)CC#N;QGVYZRNHAHPBGS-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33300;MM33300;C=CN(C=O)C(=N)C=CF;YAASIQHNLYPLME-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33301;MM33301;CON=CN=C(C)NC=N;RMTXCYJVGLCWGS-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33302;MM33302;C=NOC=O;YVRJXQSNXGIWJJ-UHFFFAOYSA-N;73.05;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33303;MM33303;COC(=O)C#CC=NN;NTDHGZSBUAHPJZ-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33304;MM33304;CCN(OC)C(=N)C#N;YVFVECZKBFOXIT-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33305;MM33305;CCN(C=N)C(=O)C=O;SJLOYVGZDQBKHG-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33306;MM33306;CC(F)COCCO;DKVQUCIVIVQXLS-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33307;MM33307;COCOCC(C)C;FFXUOVPOFHKUKL-UHFFFAOYSA-N;118.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33308;MM33308;COCOCC(C)F;NMJVACPFFMFOJT-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33309;MM33309;C#CC(=N)N(C=C)C=O;QMGYMALDWPBNDD-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33310;MM33310;CC=NOC=NOC=O;NDCBQORQFARXIO-UHFFFAOYSA-N;130.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33311;MM33311;C#CCN=C(C)N(C)C=O;CSJOOCLCYSRHMX-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33312;MM33312;C=CCOC(=NN)C(=N)N;TVIHXWQWYQBKOQ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33313;MM33313;CCC(=N)NOC(C)=NN;TVGJRHAMHIUPHV-UHFFFAOYSA-N;144.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33314;MM33314;CON=CC(=CC=O)OC;UHERSNLCKGWMHE-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33315;MM33315;C=COC=CN(C=N)C=O;QFQIOZHNARKFQK-UHFFFAOYSA-N;140.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33316;MM33316;CCN(N)C(C)=NO;AYQYNSAJUOSXMY-UHFFFAOYSA-N;117.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33317;MM33317;CNN(C)C(=O)C#N;GYASSVZSBTZQDP-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33318;MM33318;C=NOC(=NOC)OC;XECHZURXEDYHHW-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33319;MM33319;C#CC(C#N)=C(N)OC;XJMWOKKMYCVCRZ-UHFFFAOYSA-N;122.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33320;MM33320;CC=NNC(=N)C(C)CN;ONBVPPIOHHHDIG-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33321;MM33321;C#CC(=O)OC(=C)C=NN;BXFFBQOFPCWPLX-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33322;MM33322;CC(C#N)OC(N)=CC#N;KOTWVEXCIPEWOK-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33323;MM33323;C#CC(=C)CC(C=O)NC;ZIIOZNNTYIZSEI-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33324;MM33324;C#CC(=O)N(N)C(=N)OC;ZIQYIROVOYOADU-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33325;MM33325;CC(C#N)=C(N)OCC#N;STZMHMNBHKJJNM-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33326;MM33326;CNN=CC#CC(=O)C=O;IKMSXGFPUHHFMU-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33327;MM33327;C#CCN(C=O)C(C)=NC;NUCDXTIJKSRZFJ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33328;MM33328;C=CCOCC(C)O;CJNXVNXBZXMHKG-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33329;MM33329;CC(O)COCC#N;SYRBHFITGOLSLA-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33330;MM33330;CC(F)COCC=O;ZWAQNNJDUKVBPK-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33331;MM33331;CC(F)COCC#N;GACMWNPBVIKKKC-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33332;MM33332;O=CCOCC(F)F;JGGWIZCXUPBKAB-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33333;MM33333;N#CCOCC(F)F;STZRUWAAFRDPLF-UHFFFAOYSA-N;121.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33334;MM33334;CCNN=C(CF)COC;UEGNYLZXHBQHTR-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33335;MM33335;COC(=CF)C(C#N)=CN;UIDCNAHMIZUOCJ-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33336;MM33336;CC(C)OCCC#N;BMSYXLRQGIFLFO-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33337;MM33337;CC(C)OCOC=O;PMQWPZURWHMLHM-UHFFFAOYSA-N;118.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33338;MM33338;C=CCNC(=N)C(=O)NN;NOVHUGNVAKKGKM-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33339;MM33339;C=C(F)C=NNC;ZWDLEUGIZRPTSE-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33340;MM33340;C=CC#CC(N)=CC#N;XFHBONUMCLHKJM-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33341;MM33341;C=C(C)C(C=O)=NN(C)C;HGEMPZOKOIRZDE-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33342;MM33342;CC(C#N)=CN(C=N)C=O;ASVUCLCPUZGHPL-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33343;MM33343;CON=CC(C)OCC#N;NJKRXCDOWVREJK-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33344;MM33344;C=NN=C(NO)N(C)N;OAPMGMHZEFNOKO-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33345;MM33345;C=NN(CCF)C(=N)C#N;ZCZHKDPEADMSRG-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33346;MM33346;CON=CC(CC#N)OC;YYSYDERCBNQUSR-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33347;MM33347;COC(C)C(C#N)=C(N)N;AKDJCCOXXGBQTF-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33348;MM33348;C#CCOCC(C)O;GZCWLCBFPRFLKL-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33349;MM33349;CC(=O)CCCCF;SIBCODJDADBUEI-UHFFFAOYSA-N;118.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33350;MM33350;CN(C=N)C(=O)C#N;IUZIPVFTAYGJLV-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33351;MM33351;CN=C(NN)C(=N)NC=N;DVFQUGUHVQYFNG-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33352;MM33352;O=C(O)CCCCO;PHOJOSOUIAQEDH-UHFFFAOYSA-N;118.13;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33353;MM33353;O=C(O)CCCCF;YMQFZAGVJOGELX-UHFFFAOYSA-N;120.12;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33354;MM33354;C#CC=NOCOC;BSMZXAVLBGROEQ-UHFFFAOYSA-N;113.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33355;MM33355;C=NOC(=O)N(C)C=N;BSPRGEKDLOQEDD-UHFFFAOYSA-N;129.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33356;MM33356;C=NN=C(OC)ON=C;ZMFNWLVFXHZIGU-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33357;MM33357;COCCCC(C)=O;FXTIMAJUMAQUOG-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33358;MM33358;C=NOC(C)=NOCC#N;YIUNUTUQJOJCOG-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33359;MM33359;C#CCN(C)C(=O)ON=C;IJSRSHURCWGHAU-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33360;MM33360;CCOCCC(C)=O;YFBGSHHKHHCVDI-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33361;MM33361;CCOCCC(=O)O;JRXXEXVXTFEBIY-UHFFFAOYSA-N;118.13;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33362;MM33362;CC(C=O)(C=O)NCC#N;MVLHPJBLTPDVDS-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33363;MM33363;CNN(CC#N)C(=O)OC;JOGBCHJGXJATGF-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33364;MM33364;CC(=N)NC(C#N)=CC#N;GJMXRFCNNHUHGM-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33365;MM33365;CN(C)N(C=O)C=NC=N;DWEUOADCYUSQMS-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33366;MM33366;C#CC(=N)N(O)C=N;CAHGVEJSJHBIHH-UHFFFAOYSA-N;111.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33367;MM33367;CC(=O)COCCF;VPPOWPUZGMYSKF-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33368;MM33368;CCCOCC(N)=O;JWDAQACFBLXJBZ-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33369;MM33369;CCC=NOC=O;BSZLMFWJHZKQLB-UHFFFAOYSA-N;101.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33370;MM33370;C#CC(F)(F)C(=N)N;WMTJGELOLBVXFS-UHFFFAOYSA-N;118.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33371;MM33371;C#CCC(=O)ON=C;BQOSMHGRKGRXMU-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33372;MM33372;C#CCC(N)C(C=C)=NO;CBMCULYGPPNJBI-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33373;MM33373;CC(=O)NCCCF;SLMATXKZKBEYTO-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33374;MM33374;CCOC=NOCC;FCRRQBUHFCXTPD-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33375;MM33375;CCCCNC(N)=O;CNWSQCLBDWYLAN-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33376;MM33376;N#CC=C(N)OCC#N;YMZLFEUTYWSJKH-UHFFFAOYSA-N;123.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33377;MM33377;C=CCN(C)N(C)C=O;IILAESNVLOBRPW-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33378;MM33378;CCCONC(C)=O;PUCLLMVRKBMRII-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33379;MM33379;CCCONC(N)=O;IVSKZWNAGUDMIX-UHFFFAOYSA-N;118.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33380;MM33380;C#CCOC(C)=NN(C)C;FDDNKFLEWSRKGH-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33381;MM33381;C=NOC(=NOC)ON=C;WVVOEYYOUQULHX-UHFFFAOYSA-N;145.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33382;MM33382;C#CC=NOCC(C)C#N;AEYFNKKTEJPQJA-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33383;MM33383;CC(=O)OCCCO;DOUBAFNWVFAWEC-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33384;MM33384;CC(=O)OCCCF;XGCZQQKWWLJHEE-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33385;MM33385;C=NOC=NOC(=O)C=O;AEMZTWDTQPALGV-UHFFFAOYSA-N;144.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33386;MM33386;COCON=CC(C)C#N;GIVPAJDUSGYHHY-UHFFFAOYSA-N;142.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33387;MM33387;CCCCOC(N)=O;SKKTUOZKZKCGTB-UHFFFAOYSA-N;117.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33388;MM33388;NC(=O)OCCCF;JEYIPSVFLFRWON-UHFFFAOYSA-N;121.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33389;MM33389;C#CC(=O)N(CC#N)NC;BYCFPGNCGILXRD-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33390;MM33390;C=CN(C=N)C(=O)ON=C;LZRJGADYOCWJCH-UHFFFAOYSA-N;141.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-Methoxyethyl Acetate";MM00942;COCCOC(C)=O;XLLIQLLCWZCATF-UHFFFAOYSA-N;118.13;0.2;8054;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33391;MM33391;COCCOC(N)=O;QAQJKDRAJZWQCM-UHFFFAOYSA-N;119.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33392;MM33392;CCOCOC(C)=O;NDMXSCGMYOVVJE-UHFFFAOYSA-N;118.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33393;MM33393;CC(=O)CCCC#N;AEVMBQIIZGKQRB-UHFFFAOYSA-N;111.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33394;MM33394;N#CC=C(N)C#CCF;YTIRZIAAGCXBSM-UHFFFAOYSA-N;124.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33395;MM33395;C=NOCOC(=O)C#N;ZVQRBTLMPNGFNH-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33396;MM33396;CN=C(C#CCO)N(C)O;JPSSESDAYSBSHD-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33397;MM33397;NC(=O)CCCC=O;WZDNFKAFEYXBOQ-UHFFFAOYSA-N;115.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33398;MM33398;N#CCCCC(N)=O;NHMAWNBVHVQDPU-UHFFFAOYSA-N;112.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-oxopentanoic Acid";MM03733;O=CCCCC(=O)O;VBKPPDYGFUZOAJ-UHFFFAOYSA-N;116.12;0.44;439963;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33399;MM33399;N#CCCCC(=O)O;YXBVMSQDRLXPQV-UHFFFAOYSA-N;113.12;0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33400;MM33400;C=CCCC(CNC)=NO;YKEDDSPMOXGAKE-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33401;MM33401;CCC(CNC)=NO;MGTPPOBPYSXUJW-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33402;MM33402;C=C(C)N(C=O)N(C)C;IZGCXORNRSOGCR-UHFFFAOYSA-N;128.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33403;MM33403;C=C(F)CCNC=O;DHDFWJWPBBRBRC-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33404;MM33404;C=COCCC(C)=O;LDUNQGFUZNSNLO-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33405;MM33405;CC(=O)CCOC=O;BKXSGWPINKWBDQ-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33406;MM33406;CN(C=NN)C=C(F)CO;KTWBBQRZJLRFAZ-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33407;MM33407;C=C(C=O)C(C#N)=CN;FQTWBBRTIBTKSP-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33408;MM33408;CNCC(C=C(C)C)=NO;PQFVAIOBUKWDJK-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33409;MM33409;CC=CC(CNC)=NO;QQSBXVVKQYDODT-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33410;MM33410;CC(=O)COCC=O;MPVZRWVUBPFORQ-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33411;MM33411;C#CC(C=NOC)OC;HOHVYARCANAHDO-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33412;MM33412;N#CCOCC(N)=O;KSRXCAAMBDFMFV-UHFFFAOYSA-N;114.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-prop-2-enoxyacetic Acid";MM03639;C=CCOCC(=O)O;QXWUJRONCAPLLL-UHFFFAOYSA-N;116.12;0.27;10997006;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33413;MM33413;C=NN=C(ON=C)ON=C;CYVSYVWJIJLBPL-UHFFFAOYSA-N;142.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33414;MM33414;C=CC(CNC)=NO;SBQUDRBZBBNFEJ-UHFFFAOYSA-N;114.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33415;MM33415;C#CC=NOCC(=O)OC;CTVUDMRNAMEXIQ-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33416;MM33416;CC(=O)NCCC=O;ARJPPNFIEQKVBB-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33417;MM33417;CC=NN(C=N)C(=N)C#N;UAXDYTQBPIWIDN-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33418;MM33418;N#CCCNC(N)=O;KXLLKSHFFVQKTQ-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33419;MM33419;CC(=O)NNCC#N;SWIDWNQVPCBMRN-UHFFFAOYSA-N;113.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33420;MM33420;N#CCNNC(N)=O;VKBDBZFYVYUBNO-UHFFFAOYSA-N;114.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33421;MM33421;C=CCONC(C)=O;PHFZXGJRSQMXFP-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33422;MM33422;C=CCONC(N)=O;GOPGJQIHHNNMNL-UHFFFAOYSA-N;116.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33423;MM33423;N#CCONC(N)=O;OXAXYCVFFGJYEC-UHFFFAOYSA-N;115.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33424;MM33424;CC(=O)OCCC=O;PRSPLAWXBFRHKV-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33425;MM33425;CC(=O)OCCC#N;IJJJSNBMFDDFBC-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33426;MM33426;CCOCC(C#N)=C(N)N;UASVGCNJACIFOQ-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33427;MM33427;CC=CC(=O)N(C=N)C=N;BALCSQCFMBZDQF-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33428;MM33428;C=CCCOC(N)=O;IHIBPMKGKJSBKT-UHFFFAOYSA-N;115.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33429;MM33429;NC(=O)OCCC=O;QVXXAQDHCRDQFR-UHFFFAOYSA-N;117.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33430;MM33430;C=COCOC(C)=O;MTLXSUCXWZGPKN-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33431;MM33431;CC(=O)OCOC=O;KDXNXUPUHDZYGW-UHFFFAOYSA-N;118.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33432;MM33432;NC=CC=NN=CC=CN;ILDDXUNZKHVDKG-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33433;MM33433;C=COCOC(N)=O;BMTXGKUEXIKLCN-UHFFFAOYSA-N;117.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33434;MM33434;NN(C=O)C=O;XHRLHFIZYKNVGV-UHFFFAOYSA-N;88.07;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33435;MM33435;C=NN(C=O)C(=C)C;FHNIHDAYBJNGGU-UHFFFAOYSA-N;112.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33436;MM33436;CCON=C(NC)C(C)O;LLBYXASQPTXKPC-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33437;MM33437;C#CCOCC(C)=O;VFZOZBBQWOKDRK-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33438;MM33438;C#CCOCC(=O)O;DZQBMVUCILXGLV-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33439;MM33439;C#CCCNC(C)=O;ODVZOLHCWVKMBM-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33440;MM33440;C=NOC(=O)N(C)N=C;GFITWFXZRWTABS-UHFFFAOYSA-N;129.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33441;MM33441;C#CCONC(C)=O;BPCQLPKKWJFWAJ-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33442;MM33442;C=CC(C=O)=C(N)N(C)C;XVPHOEOTORXTDU-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33443;MM33443;CN=C(C)N(C)C(=O)C#N;INQRQPHIFSIINO-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33444;MM33444;N#CC=NN=CC(=N)N;QFIGYQPFOBEQJB-UHFFFAOYSA-N;123.12;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33445;MM33445;CCCNC(=N)C(O)C#N;STNUWYLCELMCSK-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33446;MM33446;CN=CN(C=O)NCC#N;KZJQKLZSULRPDS-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33447;MM33447;CNC(=N)C(=NO)OC;VRYFFCQQUIBBOJ-UHFFFAOYSA-N;131.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33448;MM33448;CCN(C=O)NCCC#N;CDPQRMSZAOLOMP-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33449;MM33449;C#CC=NOCCCC#N;SCCTYEQQEODSNN-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33450;MM33450;N#CCC#CC(=N)NC=N;FMFQSCRUYPDQRT-UHFFFAOYSA-N;134.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33451;MM33451;N#CC=C(N)C=CF;VFGRKRWCFVLMCU-UHFFFAOYSA-N;112.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33452;MM33452;C#CCC=NOCC#N;BPEUVYYAQLIRCM-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33453;MM33453;C#CC(O)(CC#N)CNC;FPRHNKGOITYXSR-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33454;MM33454;CN(C=N)C(=NO)NN;DSWHMSSVLSPVCH-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33455;MM33455;C#CCN(C)N=C(C)OC;BRWRPPPLXJVLPZ-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33456;MM33456;CCNC(C#N)(C=O)C=O;ZFWYMIBYQKSXRY-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33457;MM33457;C=C(C)N(O)C(C)=NNC;PDNJGVFVVICQCT-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33458;MM33458;C#CC(=C)C(N)C(O)C#C;CDVFPOOWEGCACL-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33459;MM33459;CNN=CC#CC(=O)OC;YLIZCXPRJWIPLV-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33460;MM33460;CC(C)OCC=NO;VYZURPBOVUDOIS-UHFFFAOYSA-N;117.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33461;MM33461;CC(N)=C(C#N)C(C)C#N;ZIFKIUXAWSLQKN-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33462;MM33462;C#CC(=C)C(C#N)=C(N)N;ULZXSSYUGWGFKM-UHFFFAOYSA-N;133.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33463;MM33463;C#CCC#CC(C#C)=NN;BBWVYYFADXQZMN-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33464;MM33464;N#CC=C(N)C(C#N)=CN;PTNCKVVJNDDAQC-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33465;MM33465;NC(=O)CCC=CF;JPZDZYANFUVCCV-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Hex-4-enoic Acid";MM01610;CC=CCCC(=O)O;NIDHFQDUBOVBKZ-UHFFFAOYSA-N;114.14;1.43;101384;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16555;MM16555;O=C(O)CCC=CF;MSAFFDOJKDGGPW-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33466;MM33466;CC(=O)CCC=NO;BGFNBSDOXVAOMH-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33467;MM33467;CC=NOC(C)=O;VVSGSQMLYOTNIE-UHFFFAOYSA-N;101.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33468;MM33468;CC#CC(N)C(O)CF;RBAIJVKEGCUILK-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33469;MM33469;C#CCC(C)(O)C(F)CN;ISJKMMJPRHTVEV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33470;MM33470;C=CC=CC(O)C(F)CN;IGTJCVGWWNUWLS-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33471;MM33471;C=CN(C=O)N(C)CC;BRFKBEWCYWUDEH-UHFFFAOYSA-N;128.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33472;MM33472;C=NN(CC)C(=O)C=O;DZUJUYBTNHLISO-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33473;MM33473;C=C(F)CN(C=O)N(C)C;VZAUFZGZYGOEOC-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33474;MM33474;CC=COCC(N)=O;BOUOCGLXNXCLPV-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33475;MM33475;C#CC(=NC(=C)CO)NO;LEGULMMQEFTZBZ-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33476;MM33476;CC(C)=CC(O)C(F)CN;GMVKJTJCOWVMHQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33477;MM33477;CC=CC(O)C(F)CN;DGUGEVMKWDKHTG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33478;MM33478;CN=C(NO)OC(C)C;BQXGAVGCHBEAGE-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33479;MM33479;COCC#CC(N)=CC#N;ZSYDKFQBKYDXEM-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33480;MM33480;C#CCNC(C#C)C(C)=O;HPWJVBZZVPAFGA-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(ethylideneamino)oxyacetic Acid";MM03535;CC=NOCC(=O)O;UXGFKVFGPBLIFN-UHFFFAOYSA-N;117.1;0.09;54377045;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33481;MM33481;CC=CCNC(C)=O;NRNINBJEUSDBSL-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33482;MM33482;CC(=O)NCC=CF;GZPCGJRRZKRFNA-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33483;MM33483;C=NOC=NOC(C)C#N;CLIPGAQLWAWMTQ-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33484;MM33484;CC=CCNC(N)=O;VFZBVCCXSCVAGU-UHFFFAOYSA-N;114.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33485;MM33485;C=CCC(C)(O)C(F)CN;RTMWXKCJJHVOPC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33486;MM33486;C#CC#CC=NN;HYJXTUMMHVLCIC-UHFFFAOYSA-N;92.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33487;MM33487;C=NOC(=O)COC;SAKVNBMDRISEIR-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33488;MM33488;CC=CCOC(N)=O;PKBCOPCTVYDTSE-UHFFFAOYSA-N;115.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33489;MM33489;CCC(C)(O)C(F)CN;VZSYMIOTXWCBQN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33490;MM33490;CC#CCCC(N)=O;WDQCOLCPBBPSLI-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33491;MM33491;CC#CCNC(C)=O;WTOGCEFSVDMOLI-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33492;MM33492;NN(C=O)C=NC=O;COXWEWPWEGJQLC-UHFFFAOYSA-N;115.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33493;MM33493;CC#CCNC(N)=O;PSQXHXHSBKPVBF-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33494;MM33494;C=CC(C=O)=NN(C)C;IFSUSQKTPFCVHS-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33495;MM33495;CC#CCOC(N)=O;YIEKAWKLUNVJSJ-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33496;MM33496;C=NOC(=O)N(N)C=N;ZNQSLEAZYXWJCR-UHFFFAOYSA-N;130.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33497;MM33497;C=CC(F)(CN)C(C)O;AHRXUUFEJPQZNB-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33498;MM33498;CC(O)CC=CCO;JTJOUBKUMZZOLY-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33499;MM33499;C=NOC(=O)C(=C)OC;IJALHNMTUCLFKO-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33500;MM33500;COC=CN(C=N)C=O;SPVOGTKDMFXNQF-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33501;MM33501;C=CC(F)(CO)CNC;MMWGTNWUKCRSTN-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33502;MM33502;C#CC(C#CC=C)=NN;CJSBICYWTDYTQX-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33503;MM33503;COC=C(C=NN)OC=O;DXOKTJJBCJQGHZ-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33504;MM33504;CN(OCC#N)C(=N)C#N;PPUDGIJAOOXHIF-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33505;MM33505;CCN(C)C(C#N)=NC=N;HUKVVGVSLKVOOI-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33506;MM33506;CNC(N)=C(C#N)COC;ODXHGDOZMDBLTB-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33507;MM33507;CNC=C(C#N)C(=N)NO;ZYFKVEVUAVFKJJ-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33508;MM33508;C=NN(C=O)C=CC;LMIRXUVNLGKHEQ-UHFFFAOYSA-N;112.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33509;MM33509;N=CNN=COC=CCO;XYWGFJDZBDKVNP-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33510;MM33510;CN(CC#CC#N)CCO;FBQYVWBEXMYHGI-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33511;MM33511;C=NN(C=N)C(=N)C#N;UEYWWWHMXPKBMX-UHFFFAOYSA-N;123.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33512;MM33512;CC(=N)N=C(C#N)N(C)C;ZHCUCJKMPBZPKR-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33513;MM33513;C#CC(C#N)(C=O)ON=C;PDVSITOKCFPPFD-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33514;MM33514;CC(C)NC=CC=O;BTUIBFPJMXZJFA-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33515;MM33515;C#CCON(C)C(=N)C#N;XIELWWOTUBPDSG-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33516;MM33516;CN(C)C(C)(C)C#CCO;LAQCGZBBUUCXMA-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33517;MM33517;C#CC(=O)N(N)C=NOC;UZKKWTRUYFPFEK-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33518;MM33518;NCC#CCO;CETGYTZOZAIXBU-UHFFFAOYSA-N;85.11;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03054;MM03054;CC(C)NN=CC#N;UKABBJCWCVKSJT-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33519;MM33519;CON=CCOC(C)C#N;TWORJDREOJCKKC-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33520;MM33520;C#CCON=CC(C)C#N;BQKUJKAIGOAXTN-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33521;MM33521;C=C(OC=O)C(C#N)=CN;YISGHMDXLJMQLV-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33522;MM33522;CC(=O)CC=CCO;FTVFXYGLWMMFJH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33523;MM33523;COCC=NOCCC#N;AMGVZCBGRMODIV-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33524;MM33524;CCC=CCC(N)=O;YBESWSGXXIARJV-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33525;MM33525;NC(=O)CC=CCF;LNJWYQAOJOHRGE-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33526;MM33526;O=C(O)CC=CCF;UNGHMJGNMBVREV-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33527;MM33527;CCCN(O)C(=N)NO;GUALVIABPKFRQE-UHFFFAOYSA-N;133.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33528;MM33528;C#CCC(N)(C#CC)CO;ULAWTMSCPMCRKQ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33529;MM33529;CCC(C)=NN(C)C=O;ALEAHHOXXWLNFB-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33530;MM33530;CON(C)C(=NC=N)NN;DJEWBWYNQAWVGF-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33531;MM33531;N#CC=C(N)C=CC=O;PFYUPBLMNUCATJ-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33532;MM33532;CC(N)=C(C#N)CC#N;VPCDNLBQETYEOC-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33533;MM33533;C=C(OC)C(=O)N(N)C=O;IBDJZDBJSREQMO-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33534;MM33534;CCC=CNC(C)=O;PJOOLUFQUNQIBE-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33535;MM33535;CC(=O)NC=CCF;HWDZKSJPKCAQRF-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33536;MM33536;COCCC=NN(C)C=O;ZOLIJVXPRKLEES-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33537;MM33537;CCC=CNC(N)=O;MLSCSZBOBMLELZ-UHFFFAOYSA-N;114.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33538;MM33538;C#CCN(N=C)C(=N)C#N;HSPXHTMYMOJOJX-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33539;MM33539;CCN=CNC(C)=O;KCDUTUIQTVJOAD-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33540;MM33540;CNN=CNC(N)=O;FDFUGKQOOKVTDB-UHFFFAOYSA-N;116.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33541;MM33541;C=COCC(=N)NO;KEKHLDHYJSFONR-UHFFFAOYSA-N;116.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33542;MM33542;C=CN(CC=O)C(=N)CF;DJKIWSNTLLLDRQ-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33543;MM33543;CC(=O)NN=CCF;DFTPIXXKYAWVLX-UHFFFAOYSA-N;118.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33544;MM33544;CC=COCC(=N)NO;LVVVKRLINVEAAD-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33545;MM33545;CC(C)=COCC(=N)NO;DIPXUMYLQYERGS-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33546;MM33546;NC(=O)NN=CCO;UMQZEIGEFYQAQK-UHFFFAOYSA-N;117.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33547;MM33547;NC(=O)NN=CCF;HHGAVCWHHDXJBP-UHFFFAOYSA-N;119.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33548;MM33548;COC=NNC(C)=O;GTJMSTHNKZJDKA-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33549;MM33549;COC=NNC(N)=O;BJHORBGYWGGKLY-UHFFFAOYSA-N;117.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33550;MM33550;CC(=O)OC=CCO;PGLOXGDCEWLIQB-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33551;MM33551;COC=COC(C)=O;YDNVDUXXZZLBPG-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33552;MM33552;COC=COCC(=N)NO;WXKHSAPAQIDVSG-UHFFFAOYSA-N;146.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33553;MM33553;N#CC=COCC(=N)NO;RRENMOFFTOPHQX-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33554;MM33554;C#CC=COCC(=N)NO;IDMHRSOGOUMZMH-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33555;MM33555;C=NN(C=NC)C(=N)C=O;CMODRTGTZVPMBM-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33556;MM33556;C#CC(OC)C(N)=CC#N;WVATZVAHOGIKMJ-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33557;MM33557;CON=COC(N)=O;VWVOTVJIEVTAPS-UHFFFAOYSA-N;118.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33558;MM33558;CC(C)=NN(C)C=O;FPFVOJKKPFZDMJ-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33559;MM33559;CNN=COC=NNC=N;NBZRAPRFDMRYHV-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33560;MM33560;NC(=O)ON=CCO;WIFPXCDNWBGBMS-UHFFFAOYSA-N;118.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33561;MM33561;C#CC(C#C)=NNC;HZDMEZNCZSKXIQ-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33562;MM33562;C#CC=NOCOC=C;MKGSMVUJDROKOX-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33563;MM33563;COC=NOC(N)=O;KJKYSGDALWYSSY-UHFFFAOYSA-N;118.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33564;MM33564;CN(C=O)CC(N)=CC#N;TXVSFTDHNFTTND-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33565;MM33565;C=CC=CCC(N)=O;KWLWGUGSFGMZEJ-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-oxopent-3-enoic Acid";MM03671;O=CC=CCC(=O)O;TVVCTQKLPXHAPE-UHFFFAOYSA-N;114.1;0.22;54155228;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-cyanobut-3-enoic Acid";MM03233;N#CC=CCC(=O)O;FHGLFUDZZVMTGZ-UHFFFAOYSA-N;111.1;0.54;73177630;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33566;MM33566;CC=NOC(C#N)CC#N;ZHOYOESETAQJJS-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33567;MM33567;CC#CCNN(C=O)C=O;ZBFDBBQXOWZHCT-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33568;MM33568;C=NN=CCC(N)=O;AOHDGQKYEYLLHF-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33569;MM33569;C=NN=CCC(=O)O;HZXKFMZMBBVRRT-UHFFFAOYSA-N;114.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33570;MM33570;N=CNN=COC=NN;TYNXTSOWHKEYPY-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33571;MM33571;CC(=O)NC=CC#N;KPOMOCVTJMHXOC-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33572;MM33572;C=NN(C=O)CC(C)F;DFXDHUVBOYARRI-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33573;MM33573;C=NOC(CF)=NOC;CLSLNRPBRMSCHR-UHFFFAOYSA-N;134.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33574;MM33574;C=CC=CNC(N)=O;KAAIRXJVIHFTMO-UHFFFAOYSA-N;112.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33575;MM33575;N#CC=CNC(N)=O;OLIYIIXYQZZNPW-UHFFFAOYSA-N;111.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33576;MM33576;C=NN=CNC(C)=O;MHKCLRRKHQWZSG-UHFFFAOYSA-N;113.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33577;MM33577;C=NN=CNC(N)=O;SQGUFBFIYHSBTM-UHFFFAOYSA-N;114.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33578;MM33578;N=CN(C=N)CC(=N)NO;SPWLLBGWQVOUQT-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33579;MM33579;CC(=O)NN=CC=O;DDDMVHDPEXVIMG-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33580;MM33580;CC(=O)NN=CC#N;WGWTWSKNMJPUKO-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33581;MM33581;C=C(C#N)CC(=NC)NO;XCVJIWBKEBXIQH-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33582;MM33582;COC=CC(=N)NO;IJZHNWKVUYXYOL-UHFFFAOYSA-N;116.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33583;MM33583;NC(=O)NN=CC=O;OXGVTRABAZPKBU-UHFFFAOYSA-N;115.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33584;MM33584;N#CC=NNC(N)=O;NNIOMBQNGSNTFH-UHFFFAOYSA-N;112.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33585;MM33585;CC(=O)OC=CC=O;PMDQRMBZKLISGT-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33586;MM33586;C=NN=COC(N)=O;VXVKIUUDMVVESR-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"(cyanomethylideneamino) Acetate";MM02727;CC(=O)ON=CC#N;LLCPDBYFCIEBKT-UHFFFAOYSA-N;112.09;0.06;131886667;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33587;MM33587;CC(=N)N(C=O)CC#N;HWFNZLWRLMWYHF-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33588;MM33588;C=CC(C=O)=NN(C)CC;KTHBNAMPZCMDEC-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33589;MM33589;CCOC=CC(=N)NO;CWUOKBLVZIEOHN-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33590;MM33590;CC(=NN)OC=NNC=N;YIAVHBRCBHIMHG-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33591;MM33591;NC(=O)ON=CC=O;HDTKGXWNEXABEP-UHFFFAOYSA-N;116.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33592;MM33592;N#CC=NOC(N)=O;JNBWITVNOLKZCI-UHFFFAOYSA-N;113.08;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33593;MM33593;C#CC=CCC(C)=O;LUJCTLPJPGDTJB-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33594;MM33594;C=NOC(C#N)OCCF;GCKUKOLIRFYCGO-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33595;MM33595;C#CC=CCC(N)=O;HFKNSKDCCGTYAH-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Hex-3-en-5-ynoic Acid";MM03683;C#CC=CCC(=O)O;PZXFTMOMKMJTMR-UHFFFAOYSA-N;110.11;0.65;76225730;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33596;MM33596;C=NOC=NOCCC#N;CNHPONGJNKXOKE-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33597;MM33597;C#CC=CNC(C)=O;NKYRPMBVGIFFAO-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33598;MM33598;C#CC=CNC(N)=O;VCTHUHZXCHULDH-UHFFFAOYSA-N;110.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33599;MM33599;C#CC=NNC(C)=O;NJBCFIGREZBHPT-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33600;MM33600;N=CNN=COC=O;DMLGKNOGKGQDIO-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33601;MM33601;C#CC=NNC(N)=O;LWIFRAZWNIVAOA-UHFFFAOYSA-N;111.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33602;MM33602;C#CCN(C=O)N=C;QJQNRGQZONTCIP-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33603;MM33603;NC=C(F)C=NOC=O;LLJDPIRYJUWLEY-UHFFFAOYSA-N;132.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33604;MM33604;C#CC=NOC(N)=O;XMHJCGPEROLQOA-UHFFFAOYSA-N;112.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33605;MM33605;C=C(OC)C(C#N)=CN;VHIUVKJUCUVPTH-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33606;MM33606;COC=C(C)C(=N)NO;HKGNUQOHYUSULF-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33607;MM33607;C=C(C#N)OC=NNC=N;SUQGIJDXNALEID-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33608;MM33608;CC(C)CC#CC#N;QHIKDEGDHQTDHC-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33609;MM33609;CC(O)CC#CC=O;KUBAHKLMGYREOX-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33610;MM33610;CC(F)CC#CC#N;UOZUANLWTFNIDK-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33611;MM33611;CC(=O)CC#CCO;KTRDZZFIXJTDKK-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01635;MM01635;CC(=O)CC#CCF;AGFYVLFLBYDRAF-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33612;MM33612;O=C(O)CC#CCO;WPRVZIDENNWGJS-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16417;MM16417;O=C(O)CC#CCF;VFTPIHGPQBSCHJ-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33613;MM33613;C=C(C)CC#CC#N;OQLVSYHYJKHOEL-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15302;MM15302;C=CC#CCC(C)=O;RTNZEQSJJSMOPM-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02477;MM02477;CC(=O)CC#CC=O;VZLHOCMMHWLZAM-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33614;MM33614;CCCOC=CC(=N)NO;JYZWWXXZQJKJLZ-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33615;MM33615;N#CC#CCC(N)=O;JHYXVJZWOHUXTA-UHFFFAOYSA-N;108.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16335;MM16335;O=CC#CCC(=O)O;SYDIWKZBADJABQ-UHFFFAOYSA-N;112.08;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16133;MM16133;N#CC#CCC(=O)O;DWWMPDOJAHVYLY-UHFFFAOYSA-N;109.08;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15303;MM15303;C#CC#CCC(C)=O;CIJHXKZHLIOPOC-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16339;MM16339;C#CC#CCC(=O)O;ZBPWOZXJRJVSKX-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33616;MM33616;C#CC(=N)N(N)C(=O)C#C;SAUGLLLTQDFYGM-UHFFFAOYSA-N;135.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33617;MM33617;CCC(=CC#N)C(=N)NO;XOBMBHLZTUTJEC-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33618;MM33618;CCC(=O)C(=O)N(C)C=N;PWIUUJXBYSXTCG-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33619;MM33619;C#CCN(NC)C(=O)C#N;DCTJZOOOJYYTDQ-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33620;MM33620;C=C(CO)CN(C)C;AYZZZPTUEAUBPY-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33621;MM33621;C#CC(=NN)C(C#C)C#C;FEMOFXCTDPHNCO-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33622;MM33622;C=NOCOC(C#N)=CF;GAPZTGWJRXQNAK-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33623;MM33623;COCC=CC(C)O;GSZCDKGKRUKIKR-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33624;MM33624;C=NN=CN(N)C=O;XMWPDXRVRGQHRZ-UHFFFAOYSA-N;114.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33625;MM33625;CCC1(C#N)CN1C;MTVVJVKOYYVWAL-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33626;MM33626;CNC(=O)C(=CN)N=CN;KRLWXWYZIBUGFB-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33627;MM33627;C#CC(=C)OC=NNC=N;NXHFNYHRLFRXLP-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33628;MM33628;CC(=O)N(C)N=C(C)C;OBJMABTVDVJIKH-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33629;MM33629;N=C(N)C=NN=CNO;DRHMRGMIAIEICQ-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33630;MM33630;C=CC(C)(F)CNCCO;LICFFPNTGYYSCA-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33631;MM33631;C#CC(=N)N(C=C)CC=O;HSAGQSKLPOCCRB-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33632;MM33632;CN(C)N=COCCF;DSANKKZCRUODAO-UHFFFAOYSA-N;134.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33633;MM33633;CC#CC=C(CN)C(N)=O;ZWYOVNNUFRZMSM-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33634;MM33634;CNN=C(C)C#CC=O;VVHYYGFEKOTIFY-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33635;MM33635;CC=NN=CN(N)C=O;NNZVDDLAPYSMFC-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33636;MM33636;C=CN(N=C)C(=O)CC;WQGYMPILRQRFFU-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33637;MM33637;C=NN=COC=NNC=N;DKAZATHYLFAKRR-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33638;MM33638;CC(O)C=CCC#N;LKUTWSPPFOFVSI-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33639;MM33639;CC(F)C=CCC=O;FSEOIEAOGIJAPG-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33640;MM33640;CC=NOC(C#N)OC;XFOAZKHUENVSGS-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33641;MM33641;CC(F)C=CNC=O;JVHFWPOERIFOCU-UHFFFAOYSA-N;117.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33642;MM33642;N#CC=CN(C=N)C=O;ZXDKAWYVLYOJEE-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33643;MM33643;O=CNC=CC(F)F;LQBUZIQCXVGFMS-UHFFFAOYSA-N;121.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33644;MM33644;CC(C)(C)C(=O)N(N)C=O;YNEQMVNKPLAQKE-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33645;MM33645;CC(O)C=COC=O;WQKZXNSVEBCKGU-UHFFFAOYSA-N;116.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33646;MM33646;C=COC=NNC=N;VBHRNASCDDZFQO-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33647;MM33647;CC(O)C=NNC=O;LLZKOWQQISBZFR-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33648;MM33648;N=CNN=COC=CF;SHHCLBDEVVAFEK-UHFFFAOYSA-N;131.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33649;MM33649;O=CNN=CC(F)F;IRXVAWWIOHQHAW-UHFFFAOYSA-N;122.07;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33650;MM33650;C=NNC=NN=CC(=N)N;BGIFKOLCTUBDFZ-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33651;MM33651;C#CC(=N)N(C)C(=O)C#C;DAQVEZRXBHPRJA-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33652;MM33652;CCONC(=NNC)NN;YWWCMQNBTLJHMV-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33653;MM33653;CN(C(=N)N)C(C#N)=CN;MBNXEZKTVDJSDT-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33654;MM33654;CN(O)C=NNC=O;PHCFJPZUIDYZMA-UHFFFAOYSA-N;117.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33655;MM33655;C#CC(=C)C(=O)N(C)N=C;UBLHZOFXVKXHOQ-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33656;MM33656;C=NN=CC(=O)N(C)N=C;RSIUNANAALWBBR-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33657;MM33657;CC(=NNC=N)NC=N;DEYFUQODSXSCCK-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33658;MM33658;C=CC=NN=CN(N)C=O;UEVXNLBQOZITRX-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33659;MM33659;C=C(CF)OC=NNC=N;ALWMWVNIAVKLQP-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33660;MM33660;C#CC=NN=CN(N)C=O;MADMLWCYWUBECL-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33661;MM33661;C=CC(=C)N(C=O)C=NC;WMKUWKNDNNPMRN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33662;MM33662;C=NN(C)C(C#N)=NC=O;MGYFVSVUAKVELN-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33663;MM33663;C#CC(=NOC)N(C)OC;QCDHWUZPCBUDTB-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33664;MM33664;CON=CCOCCC#N;JHEJTPYZQGCKRH-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33665;MM33665;CNN=C(COC)N(C)C;CFMKSJUORAIMSN-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33666;MM33666;C=CCC(=NNC)NC=N;JUUKSACHWYEFOX-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33667;MM33667;CC(=O)C=CCCF;ZDFODEABHZXGJY-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33668;MM33668;C=C(F)C=NNCC;FNQQNBDPDIZSLJ-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33669;MM33669;C=CC(=C)OC=NNC=N;MOSWFBKULOCDMV-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33670;MM33670;C=CCC(=O)N(N)C=O;YPPMQNNDXIBFNK-UHFFFAOYSA-N;128.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33671;MM33671;CC(=CF)OC=NNC=N;RUXLPNARKXRWMX-UHFFFAOYSA-N;145.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33672;MM33672;COCC=CC(C)=O;JVFCLMBHAHOOKN-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33673;MM33673;CCNC=CC(C)=O;SHEHJLABVDANKX-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33674;MM33674;CNC(=CC=O)N(C)C;PZYYCBAFJZSURZ-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33675;MM33675;C#CC(=O)C#CCNCC;HTHYNXAUJOEQTI-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33676;MM33676;CCC(OC)C(=NN)NC;AKQWYVGOIDZWRF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33677;MM33677;CC(C)CC(=O)N(N)C=O;XRVYFKCIXZZFHG-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33678;MM33678;C=CCNCC(C=O)OC;QQIMIFJLAQCBMS-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33679;MM33679;C=NOC(=NOC)OCC;JVFIEVLZMALIRP-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethoxyiminoacetic Acid";MM03522;CCON=CC(=O)O;ADDBAPLLQRBDLT-UHFFFAOYSA-N;117.1;0.09;53636637;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33680;MM33680;CC(=O)C=CCC#N;LMOCFGYYKPWVAW-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33681;MM33681;C#CC(COC(C)=O)=NN;KAKRYVGDNQHHNW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33682;MM33682;C=CCCC(=O)N(N)C=O;FRGWMXKCRIPQPN-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-oxopent-2-enoic Acid";MM03669;O=CCC=CC(=O)O;SGRDHVMTSXKMKL-UHFFFAOYSA-N;114.1;0.22;54304674;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-cyanobut-2-enoic Acid";MM03229;N#CCC=CC(=O)O;NYSSWGVDAKTVPW-UHFFFAOYSA-N;111.1;0.54;54137478;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33683;MM33683;C#CC(=NOC)N(N)C=O;BZLNXIQUCLMXFA-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33684;MM33684;C=CC(=NN)NCC=NN;DKHAHLOXZULFKW-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33685;MM33685;COC=COC=NNC=N;IZHOSBSQRCGUNH-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33686;MM33686;CC(=O)C=COC=O;YSKLKQHTFBFDNG-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33687;MM33687;C=C(C#CC)N(C=N)C=O;XALDVSBBMYMQFO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33688;MM33688;C=NN=CN=C(C)NC=N;GMVGOGJBTPWJJF-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-formyloxyprop-2-enoic Acid";MM03251;O=COC=CC(=O)O;KTJWRRBVKDHSCE-UHFFFAOYSA-N;116.07;-0.24;76705970;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33689;MM33689;N=CNN=COC=CC=O;DXWIGYQKRZAJLQ-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33690;MM33690;CC(C)OC(=NN)C(=N)N;ZQZYPDQRSZDEAF-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33691;MM33691;C=CNC=NN=CC(=N)N;XDVICNJVCCZBJV-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33692;MM33692;C=C(NC=N)C(=O)C(=N)N;PJQPFMICMQTIMZ-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33693;MM33693;C#CC(=O)C(C=O)NC=N;XRCNEBVRPLHPST-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33694;MM33694;N#CC=COC=NNC=N;BUMYISMPAVSTCH-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33695;MM33695;NC(=O)C=NNC=O;FRCNHDZRMCWOAE-UHFFFAOYSA-N;115.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33696;MM33696;C#CC=COC=NNC=N;QQZFKDLWVRJALF-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33697;MM33697;CON(C)C=NCC(C)=O;QDSRIUQSXXHWOL-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-formyloxyiminoacetic Acid";MM03176;O=CON=CC(=O)O;VWTKNVDWRTTYKC-UHFFFAOYSA-N;117.06;-0.77;54414962;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33698;MM33698;CC(=O)N(N)C=O;DLGDMXJSMQPGLU-UHFFFAOYSA-N;102.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33699;MM33699;C=CN=CNC(C)=O;PFNZWLGFUBBJRA-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33700;MM33700;N#CCN(OC=O)C(=N)N;NKAZOFAXXRPWOG-UHFFFAOYSA-N;142.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33701;MM33701;CN(C)N=CN(N)C=O;WEZRITANVODTQW-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33702;MM33702;CCN=CNOC(=O)C#N;IYHQISKDHMZVRW-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33703;MM33703;C=COCC(=O)ON=C;YOSJGYXQRUIJGX-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33704;MM33704;CC=NN(C)C(=N)C#N;YXRYJNRAVFAWPD-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33705;MM33705;CCN(OC=NO)C(C)=N;MCQCXIPNZZCUFR-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33706;MM33706;CN(N)C=NC=NO;UUOLCJYCKOUEIW-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33707;MM33707;CC(C)C(CN)=NO;PJNYJNCLQLWLFW-UHFFFAOYSA-N;116.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33708;MM33708;C=NOC(C=O)=NOC;MOIOUDKIMZLBRM-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33709;MM33709;CC=C(C)C(CNC)=NO;KXFADCOAPISWGO-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33710;MM33710;C#CC(=C)OC(N)=CC#N;KJFRLIHIVJJOQL-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33711;MM33711;C=C(C=O)N(C)C(=N)C#N;VVVYVCDTDGSJGM-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33712;MM33712;CN=C(NN)C(F)=CN;AEOLDFXFRHRSLZ-UHFFFAOYSA-N;132.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33713;MM33713;N=CN(C=NO)C(=N)NN;XZVIBBLNDRPLIU-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33714;MM33714;O=C(O)C=CC=NO;ZHHURYRFWPLJBX-UHFFFAOYSA-N;115.09;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33715;MM33715;CNN=CC(=CC#N)OC;GUZUOUWXUAWKHL-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33716;MM33716;CC=NN=CC(N)=O;NASGKXYOCNHMJW-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33717;MM33717;CC=NN=CC(=O)O;GFJDCWYVRUACNV-UHFFFAOYSA-N;114.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33718;MM33718;C=NN(C(=O)C=O)C(C)C;HBQRZOPKRKNGRR-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33719;MM33719;C#CC(C#CC)=NN;LSXCEVJPKKDUDG-UHFFFAOYSA-N;106.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33720;MM33720;C=C(C)C(CNC)=NO;OYUMYNXYCWWLFZ-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33721;MM33721;CC(O)C#CCCF;HDDBDVAOHQBROP-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33722;MM33722;NCC=NN=CONC=O;ZGIGRQSKRXHLBS-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33723;MM33723;C=NOC=NOC=O;MOKMVPNGWYQZIJ-UHFFFAOYSA-N;116.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33724;MM33724;C#CC=NOC(C)OC;PJWGRCYOXBIBDA-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33725;MM33725;COCC#CC(C)O;QOTNUNRYMQNUMV-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01586;MM01586;CC(C)C#CCC#N;RTLPMHMIFBIGQH-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33726;MM33726;CC(O)C#CCC=O;XXAGIKYRALJRRX-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02826;MM02826;CC(F)C#CCC#N;OWZXUZUQCORKIJ-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33727;MM33727;C=NN=C(C=O)ON=C;LDQLQJWJHWBMLW-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33728;MM33728;C#CCC#CC(C)O;QMEGONUKJNHHJU-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33729;MM33729;CC(=O)C#CCCO;WGJJURHRABPOHS-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33730;MM33730;C=NNC(=O)CNC(C)C;DVFOBKXTSHMVOF-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33731;MM33731;O=C(O)C#CCCO;QEZWEEYWBFNZNO-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33732;MM33732;C=CCON(C)C(=N)C#N;GHLQVADLMPKSSF-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33733;MM33733;COC=CC(=O)N(N)C=O;IXXCKTPGZPXSTB-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33734;MM33734;COCC#CC(C)=O;OLVDTZHGJBXKBW-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-methoxybut-2-ynoic Acid";MM03278;COCC#CC(=O)O;ATFQGKWMZOYASB-UHFFFAOYSA-N;114.1;-0.28;11126213;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15425;MM15425;C=C(C)C#CCC#N;VTLSASZLMVPTLD-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33735;MM33735;CC(=O)C#CCC=O;YAXQBJSDTNYMJY-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02429;MM02429;CC(=O)C#CCC#N;BMJWXMYKHWFRGR-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33736;MM33736;C=NN(CC#N)C(=N)CF;GUZMOTAEYBCPNU-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33737;MM33737;CC(=NO)C(=N)N;REPCGAGGXRXHNY-UHFFFAOYSA-N;101.11;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33738;MM33738;C=CCC#CC(N)=O;ODIDJWZZTFQLHW-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33739;MM33739;NC(=O)C#CCC=O;QQEOAAKXHNFPAK-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16229;MM16229;O=CCC#CC(=O)O;UHFPMNYJQZAWMQ-UHFFFAOYSA-N;112.08;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16108;MM16108;N#CCC#CC(=O)O;ZDGBOHXXCPQXBM-UHFFFAOYSA-N;109.08;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33740;MM33740;C=NN(CC#N)C(=N)OC;AHQGQUNIQBAKAP-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33741;MM33741;C#CCC#CC(N)=O;PMZQVFIOQRYDIG-UHFFFAOYSA-N;107.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33742;MM33742;C#CC(O)C(=N)NC=N;WUDSMAMNLXTRSD-UHFFFAOYSA-N;125.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33743;MM33743;N=CN(C=N)C=NC=NN;NGPGGQARZIHUHY-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33744;MM33744;ON=CC#CC(F)F;SRTUSQYBCSXAMI-UHFFFAOYSA-N;119.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33745;MM33745;N#CC=CC=NOCC#N;HQWUGHNAGXGNBH-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33746;MM33746;C=CC(=O)N(N)C=O;TVLAJALXPJVBFW-UHFFFAOYSA-N;114.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33747;MM33747;CC=CC#CC(N)=O;VVDAEABRBREBSH-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33748;MM33748;NC(=O)C#CC=CF;FKVATUAMDBFERE-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33749;MM33749;CC=CC(=O)N(N)C=O;IYJLCBNAWKNLJV-UHFFFAOYSA-N;128.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33750;MM33750;NN=CC#CC(=O)O;DHAZAHXGGCXTQS-UHFFFAOYSA-N;112.09;-0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33751;MM33751;O=C(O)C#CC=NO;CMNGQZSHIGADRK-UHFFFAOYSA-N;113.07;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01553;MM01553;CC#CC#CC(F)F;SJXLBASDQNFDFK-UHFFFAOYSA-N;114.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33752;MM33752;CC#CC#CC(C)=O;WAXKZOQSCPDRLB-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01963;MM01963;CC#CC#CC(N)=O;ITXRAWFXVZTNKX-UHFFFAOYSA-N;107.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33753;MM33753;CC(C)=CC(=O)N(N)C=O;KEUAHTMXSHNVJS-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33754;MM33754;CCC=CC(=O)N(N)C=O;JWFBNNPPNFYSOM-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33755;MM33755;C#CC=CC(=O)N(N)C=O;CUMWYEWXOSMEMF-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33756;MM33756;C=NN(CC#N)C(=N)C=O;YTCBAAYAWKBIPB-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33757;MM33757;C#CCN(C=O)N=CC=C;JINVRROGOQGABU-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33758;MM33758;C#CC(=C)N(C=N)C=O;XXDIMIKBJGZQIE-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33759;MM33759;CC(C)=COCCO;BPXIELQBAOWUML-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33760;MM33760;N#CC=C(N)OC=CC=O;XFEAQEADLHXGQS-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33761;MM33761;CC(F)=COCCO;SDXPIBSGCOFKSH-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33762;MM33762;N#CC=C(N)C=COC=O;HNXMTIJHWDJERV-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33763;MM33763;C=NOC(C#N)(C=O)C=O;NHUJSUYPURPMNN-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33764;MM33764;CON=CC(C=CN)=NN;WBGSLCRQYJIDEZ-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33765;MM33765;CC=NOC(=N)N(C)C=O;KOUHGEMYDYBPNC-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33766;MM33766;C=NN(C(C)=O)C(C)CF;YKLUQPWTFIHLHW-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33767;MM33767;C=CN(OC)C(=N)C#N;ZDZKYDLMJZQLQU-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33768;MM33768;CC(F)=CCNC=O;WHVFDHQFLDZXBW-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33769;MM33769;CN(C=O)C=NC(=N)CF;RGAYRBCZKUFHOU-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33770;MM33770;CC(C)=COCC#N;SJLQVLCQRGVEQC-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33771;MM33771;CC(F)=COCC#N;QYHDTKXMXBXWPG-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33772;MM33772;N#CCOC=C(F)F;XTBDEUQUONMQMP-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33773;MM33773;C=C(C)NC(=NO)NC=N;WNQHESFSDVIHSA-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33774;MM33774;C=NOC(=NCC)NC=N;UJGJGUQVMJJVII-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33775;MM33775;CN(C)CCC(=O)CC#N;NBXUQOLTPXDHMO-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33776;MM33776;C=NN(CCC)C(=O)C=O;OHNCJYSEPMHGGL-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33777;MM33777;COC=C(C=O)C=NOC;BFGFBWBPAJRDBU-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33778;MM33778;CCOC(=O)N(C=N)CC;WZYHUDGZOLFKCM-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33779;MM33779;C#CC(N)C(O)C(F)C#C;NIHPYEVZGOHAOZ-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33780;MM33780;C=NNC(=NC=N)NC=N;VTEDUHAEGDUDMG-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01863;MM01863;CC(C)=COC=NO;GWTUSNMFABAMIM-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33781;MM33781;CC(F)=COC=NO;XTRYQSWGQYNPAM-UHFFFAOYSA-N;119.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33782;MM33782;COC(CO)=NN=CCN;BOWDHSXYHNNHFK-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01927;MM01927;ON=COC=C(F)F;JBTZTPIUKOIOHM-UHFFFAOYSA-N;123.06;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33783;MM33783;N=CNN=C(N)C(=O)NO;CZPFHJYOTXYOFQ-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33784;MM33784;CCCC(O)C(F)CN;BORYVEJWPRTZDR-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33785;MM33785;CC(C)=NOC=NO;UNVLZHPNMZUUKL-UHFFFAOYSA-N;116.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33786;MM33786;N#CC=C(N)COC=O;ZTAWPUVZXLYIFG-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33787;MM33787;C#CC=NOCCCF;XYRMFMRKHMEVIX-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33788;MM33788;C#CC=NOCOCC;BEPIUBJOQOAVGY-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33789;MM33789;C=NOC(=O)C=C(N)OC;GBKDOCKXIOPSBK-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33790;MM33790;C#CC(=O)OCON=CC;ZUWYSGHEEMHADI-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33791;MM33791;COC=NN=C(C)C;ODHFANMKKPULPM-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33792;MM33792;CC(C)=CC=CC#N;YUPYGMCHTPYDKM-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33793;MM33793;C=CN(C=NCC)C(C)=O;LZDVTWGZTNUDKB-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33794;MM33794;CN=CN=C(C#N)N(C)C;OVDHDYIUXLBNTJ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33795;MM33795;CNN(C=O)CC#N;LXUXPXXNGKUSOJ-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01564;MM01564;CC(C)=NN=CC#N;HVKXAAOREPRXKQ-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33796;MM33796;CNN=CC#CC=O;DDFJQEHEGFTDMZ-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33797;MM33797;C#CC#CC=NNC;CGKVTMQQKSUNLS-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33798;MM33798;COC=CC(N)=CC#N;MYQHDIJXWUTFSV-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33799;MM33799;CC=CC(F)(CN)CO;RUESQHURLOMHKZ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33800;MM33800;C#CC(=N)N(C)C(C)=O;CPMFQJUDTJZJBO-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33801;MM33801;C=CC(C)ONC(=N)CO;DMDIVYWFGAVOFV-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33802;MM33802;OCCC(O)CCO;LMMTVYUCEFJZLC-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33803;MM33803;OC(CCF)CCF;ZKGWLACSISLSRA-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33804;MM33804;OCCC(F)CCF;XNFARGOEOQNSLL-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33805;MM33805;C=NN(CCF)C(=O)CC;TUQLKMCLFUHDMH-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33806;MM33806;CNN(C)C(C=O)=NO;NFBXUHBRELDNLT-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33807;MM33807;C=NOC(=N)N(C=N)C=O;AXPMKHCEDDJHCJ-UHFFFAOYSA-N;142.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33808;MM33808;CC#CC(N)=CC#N;VMNBFVMAZHEKEF-UHFFFAOYSA-N;106.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33809;MM33809;CCCC(O)COC;RHUCQGGLQMBZBN-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33810;MM33810;COCC(O)CCF;MWQYVJNRGVOKCM-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33811;MM33811;CON(C)C(=N)C#N;UGNWWFAYDXXOCH-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33812;MM33812;COCC(O)COC;ZESKRVSPQJVIMH-UHFFFAOYSA-N;120.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33813;MM33813;CON=CC=NOC;KARFSAXWRHFQGB-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33814;MM33814;COCOC=NN(C)C;JZDYTWCNCYFHJZ-UHFFFAOYSA-N;132.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33815;MM33815;CC#CC#CC(C)(N)CO;KRIXCASOYBPXPX-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33816;MM33816;C=CCC(C)CCC;BFGOGLKYJXQPJZ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33817;MM33817;CCCC(C)CC#N;JDVUMGUHKLDEQL-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33818;MM33818;CC(CC=O)CCF;VSXWKXJAYUJUJM-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33819;MM33819;CN(C=CC#N)CCC#N;SCBGCCFPZDADAJ-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33820;MM33820;CCC#CC(=N)N(C)C=O;ZDDWTRAZHHXORX-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33821;MM33821;CCCC(O)CC#N;YUGSARGCZUIABE-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33822;MM33822;O=CCC(O)CCF;ZPWKNYDJPMKORF-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33823;MM33823;N#CCC(O)CCF;JAIVAWGNIUMQSD-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33824;MM33824;O=CCC(F)CCO;DGOBRIPMYSTMMU-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33825;MM33825;C=CN(C=NNC=O)NC;NAGXZQSSFLZJMP-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33826;MM33826;C#CCC(=NC)N(C)C=O;OFMREEXZAPRDED-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33827;MM33827;C=NN(C=N)C(C#N)=CF;PCPZCSMNDHLCGV-UHFFFAOYSA-N;140.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33828;MM33828;C#CC#CC(C)(N)CO;LZJZYTQQFWUUDY-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33829;MM33829;COCC(C)CC#N;VRBJWDHAZDMZEG-UHFFFAOYSA-N;113.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33830;MM33830;C=NOC(=O)N(C)C;LINVXBMNRDTYND-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33831;MM33831;C=CCC(O)COC;NMRJYJQELSXUPR-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33832;MM33832;COCC(O)CC#N;VINMGQFONSAFIQ-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33833;MM33833;COCC(F)CC=O;UWUXCGBCWRQNNZ-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33834;MM33834;COCC(F)CC#N;JYMJLXCYLJHUTO-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33835;MM33835;C#CCNC(C)=CC#N;ZEZSQCPMQASMDA-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33836;MM33836;C#CC(C=NO)=CN(C)C;WTCRKEOMWDBQFT-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33837;MM33837;C=NOC(=O)C(C)OC;XYTLJQDYQYWMQP-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33838;MM33838;C#CCN(N=C)C(C)=O;FOZHERWEJYYMEQ-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33839;MM33839;C#CC(=NO)C(=N)N(C)N;FASYNJZYUJORIE-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33840;MM33840;N#CC(C=CF)=C(N)N;HNRAHZXIHGKGKL-UHFFFAOYSA-N;127.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33841;MM33841;C=NN(C=O)CC#CC;LZUUWNWSGPXSBL-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33842;MM33842;CC(C#N)N(C)C=NC=O;CLDLNFFGAFXYQR-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33843;MM33843;CCC=NN(C)C(=N)C#N;ZJVIRQBZKRUPIM-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33844;MM33844;CN(C=NC=O)C(=N)C=O;RJRQIPGIBYPNKJ-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33845;MM33845;CC(CCO)OC=O;CPZNRRRVGWPIBA-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33846;MM33846;CC=NN(C=N)C(=N)C=O;JMGVACYVOCPLQA-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33847;MM33847;C=C(C)CC#CC(N)CO;MGWHLLKGPLWHGI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33848;MM33848;C=NOC(C)=O;LGNPNSQUCXPYKF-UHFFFAOYSA-N;87.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33849;MM33849;C=COC=NN(C)C;IOSOWMHVIQDUKD-UHFFFAOYSA-N;114.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33850;MM33850;CC(CF)NC(=NN)NO;OQRHWDQAPDECQX-UHFFFAOYSA-N;150.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33851;MM33851;C#CCC(C)CCC;NAEDVTISSJCXKF-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33852;MM33852;C#CCC(C)N(N)C=NO;GQDOAHKXYMHFJE-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33853;MM33853;CNN=CN(N)C(=N)NO;ODJBCJSHJXSJMV-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33854;MM33854;C#CCC(O)CCO;BQSNDPDYIGAGCB-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33855;MM33855;C=NOC(=O)COCC;NCWJVHJBNZSNFC-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33856;MM33856;CN(C)CC(O)C#N;VIDKGKVSBLANOX-UHFFFAOYSA-N;114.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33857;MM33857;C=NN=CN(N)C(C)=O;ZMHDKGNVRTVQSG-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33858;MM33858;C=NN=C(C)N(N)C=O;BAPMBXMDFZJQTL-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33859;MM33859;C#CCC(O)COC;AHYRVNKHSDIXGZ-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33860;MM33860;C=CN=C(C=CCO)NO;CBEDWIKVCZBUPZ-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33861;MM33861;C=CCC(C)CC=C;GWBIZSHSUHWEEP-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33862;MM33862;C=CCC(C)CC=O;MIBBAIGMXGCCDZ-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33863;MM33863;CC(CC#N)CC#N;WTQMTUQXPWPJIT-UHFFFAOYSA-N;108.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33864;MM33864;C=CCC(O)CC=O;BQOHQFKFWDHEFO-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33865;MM33865;C=CCC(O)CC#N;HERHTVNDLZUFBU-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33866;MM33866;N#CCC(O)CC#N;NMFITULDMUZCQD-UHFFFAOYSA-N;110.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-fluoropentanedial;MM02460;O=CCC(F)CC=O;MGNIAEGARXOYBA-UHFFFAOYSA-N;118.11;0.5;88107892;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33867;MM33867;C#CC(N)=C(C#N)C=C;DVSLYTWUGXTTHO-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33868;MM33868;CC(CC#N)NC=O;WQJGIFWXGVSXFP-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33869;MM33869;C#CCC(=O)N(N)C(C)=O;UVOWYLVVRHLLFE-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33870;MM33870;CC#CCC(N)C(=N)NO;UCMDVKZGJYGXIX-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33871;MM33871;CC(CC=O)OC=O;FQCGQJGXZKRRBB-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33872;MM33872;N=C(NN)NN=CC(N)=O;UXMLWTHYGYIFDE-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33873;MM33873;C=COC(C)OC=C;FKYDFONSGGRRJU-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33874;MM33874;C=CC(=NC(C)CN)NO;WVFIJJXCLAREOL-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33875;MM33875;CN(CC#N)NC=O;OSXQNILCBQSEIY-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33876;MM33876;CC=NN=C(C)N(N)C=O;OOZGOARWIMFJCF-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33877;MM33877;C#CCC(O)CC=O;VTAYADYYUNQUDK-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33878;MM33878;C#CCC(O)CC#N;VPCFPKCVJMJQBX-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33879;MM33879;C=CN(N=CC)C(=N)C=O;GJBHODMSCIPHIT-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33880;MM33880;NCC=NN=COCCO;AQCJWXQXXYTHMV-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33881;MM33881;C=NN(C)C(C#N)=NOC;GIWRZLODBJTPDR-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33882;MM33882;C#CC(O)C(=NN)NC=C;MVMVLIHUEXXNRR-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33883;MM33883;C#CC(=NC=N)N(N)C=O;VAKDNSDDJKEQAY-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33884;MM33884;C=COC(C#N)ON=CC;OIXVYSUVFGMBGK-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33885;MM33885;CNC(=NO)NC(=N)CF;ATYLQRGLZQXWNK-UHFFFAOYSA-N;148.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33886;MM33886;C#CCOCC(C#C)=NN;HPLLRPJHHIUVQF-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33887;MM33887;C=C(CCC)CCC;FYUUBXZYRPRIHC-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33888;MM33888;C=NOC(C#N)CC#N;HMLLGYMMHBXQSB-UHFFFAOYSA-N;123.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33889;MM33889;CCN(NC)C(=O)C#N;IPAQHEVURSALEL-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33890;MM33890;O=C(CCF)CCF;HTJUGFRVVFGETK-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33891;MM33891;C=CC(C)C=NN(C)C=O;LPJGRRNUWDTNEX-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33892;MM33892;CC#CC(=NC)N(N)C=O;LKQNMSBQZRMDDT-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33893;MM33893;CC(O)C=CC(C)(N)CF;VDONRBZZFXKICE-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33894;MM33894;COC=CC(C#N)=C(N)N;YZERIOLNMFNYAK-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33895;MM33895;C=C(CCO)COC;XTJKWNXFEZBNQE-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33896;MM33896;COCC(=O)CCF;WXGHPPKOSKSICO-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33897;MM33897;C=COC=NN(C)CC;FDKNGDCHRLLFTI-UHFFFAOYSA-N;128.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33898;MM33898;C=C(COC)COC;ATHLOXMCQVYLNW-UHFFFAOYSA-N;116.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33899;MM33899;COCC(=O)COC;SZVHDRLVQJXQBT-UHFFFAOYSA-N;118.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33900;MM33900;C=CN(C)C(=O)ON=C;YKLSUVKLLZMTFV-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33901;MM33901;CCNC(=O)CCF;HHGXOBUSTWFVMX-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33902;MM33902;CCCC(=O)NOC;NIMJYJAQJPIOBE-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33903;MM33903;CONC(=O)CCF;KZZLAPBMHOJLSX-UHFFFAOYSA-N;121.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33904;MM33904;CCCC(=O)N(N)C(C)=O;FDQIGUSCNHHUIT-UHFFFAOYSA-N;144.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33905;MM33905;CCNC(=O)COC;DRTQFFVSKBQUMR-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33906;MM33906;C#CCC(=O)CCN(C)C;HRPKVMYBYBMLAY-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33907;MM33907;COC(=NC=N)N(N)C=O;YYDWENIZROGVFU-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33908;MM33908;CCOC(=O)CCO;UKDLORMZNPQILV-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33909;MM33909;C=NN=C(C#N)N(C)N=C;DXZHVQQITKGLGF-UHFFFAOYSA-N;137.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33910;MM33910;C#CC(=NCC)N(N)C=O;ZZHGQCWMXSRLSC-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33911;MM33911;CCNC(=O)NCC;ZWAVGZYKJNOTPX-UHFFFAOYSA-N;116.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33912;MM33912;C#CC(N)=C(C)C#N;ZCXTXTOGLRVAOC-UHFFFAOYSA-N;106.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33913;MM33913;COC(=NCC#N)N(C)C;BCJFAYMVNULTSA-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33914;MM33914;C=CCC(=O)CCN(C)C;XJZQEMHJWOAVDZ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33915;MM33915;CNC(=NN)NN=C(C)C;MLTIZTFQYDFCKX-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33916;MM33916;CC(=NO)N(C)C;FGSWVUVISMIKSR-UHFFFAOYSA-N;102.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33917;MM33917;CCNC(=O)OCC;GZXSDYYWLZERLF-UHFFFAOYSA-N;117.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33918;MM33918;C#CC(=NC)N(N)C=O;UTSAFSVLEDHHAO-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33919;MM33919;CCOC(=O)NOC;YBURKGRQNJPCSW-UHFFFAOYSA-N;119.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33920;MM33920;CCOC(=O)OCC;OIFBSDVPJOWBCH-UHFFFAOYSA-N;118.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33921;MM33921;C=NN=C(NN)NOC;LBGWEVXOJVKWEC-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33922;MM33922;C=C(CC#N)CCO;VWOMJZOJBCSHPC-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33923;MM33923;C=CCC(=O)CCO;OXTSQHCPVVNEDH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15644;MM15644;N#CCC(=O)CCF;RWVSXURLNLALLP-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33924;MM33924;C=NN(C=O)C(C)(C)C=O;XDXPANBOTUUHES-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33925;MM33925;C=NNC(=NN)N(O)CC;OPYYQXOIKGBWLG-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33926;MM33926;C=C(CC#N)COC;BOYQUMWVTFDFHP-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-methoxypent-4-en-2-one;MM02669;C=CCC(=O)COC;ZGZWTLAFRYTQNI-UHFFFAOYSA-N;114.14;0.78;61553007;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methoxy-3-oxobutanenitrile;MM02664;COCC(=O)CC#N;YDPDODRZXXZMII-UHFFFAOYSA-N;113.12;0.12;23091966;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33927;MM33927;CC(C)=C(C=O)N(O)C=N;SDDMGQWUKPYQTP-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33928;MM33928;C=C(CCO)NC=O;AMTNLZWORFFPOS-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33929;MM33929;C=C(CCF)NC=O;RBRWQICPCOEBBM-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33930;MM33930;C#CC(=NN(C)C)ON=C;PLISFWMZMCYURA-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33931;MM33931;C=C(C=NNC)C(=O)C#N;ZSMMECYTRRYNPC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33932;MM33932;C=CNC(=O)CCF;OTJXAIZFVOXOJV-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33933;MM33933;N#CC(=N)NC(=N)CO;GYLYGIUWTUNTLP-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33934;MM33934;C=NNC(=O)CCO;ANXQXDRQBODSHD-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33935;MM33935;CCN(C)N=COCOC;ANGWBGQHKGNDKS-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33936;MM33936;C=C(COC)NC=O;YKIWFQJIVIYWCX-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33937;MM33937;C#CCOC(C#N)ON=C;PFBWQOIZXYMYEX-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33938;MM33938;COC(C=NN)=COC=O;BHTGOUSADCBYTO-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33939;MM33939;COCC(=O)NC=O;MGIVVASLEZBTTK-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33940;MM33940;C#CC(C#N)C(=N)NC;GXIVQTAZLLFQKU-UHFFFAOYSA-N;121.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33941;MM33941;C=NNC(=O)COC;UJNRSLAOBBCOHC-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33942;MM33942;CON(C(=N)C=O)C(C)C;VQANIQBIZHTMKR-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33943;MM33943;C=C(C#N)C(C#N)N(C)C;AMILYOQWVHNZPC-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33944;MM33944;C=C(CCO)OC=O;AZFCFKXKPKEMKK-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33945;MM33945;C#CC(=NNC=N)C(N)=O;VWEREODHZCSPPG-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33946;MM33946;C#CC(F)C=NN;NSCSQJOOOJAZRK-UHFFFAOYSA-N;100.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33947;MM33947;NN=C(CF)CCF;FKEZLJQKCVKIRI-UHFFFAOYSA-N;122.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33948;MM33948;C#CCC(CF)=NNC;BTGMISBZBXPYQK-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33949;MM33949;C=C(COC)OC=O;RNHNPEXZDAETRJ-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33950;MM33950;C=COC(=O)COC;AFIQVBFAKUPHOA-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33951;MM33951;C=C(C)C(=O)N(N)C(C)=O;MKMIMZLSQJCHCU-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33952;MM33952;CN=C(CC#N)NCCF;IRYHKXKMNAQZSJ-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33953;MM33953;C=CNC(CCF)=NNC;WAFBBHKDGOBRJC-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33954;MM33954;C=CC(=N)NC(CF)=NN;YUWXYAVHZZLTDY-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33955;MM33955;CNNC(=O)CC#N;SVMFDZFZYZKUCB-UHFFFAOYSA-N;113.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33956;MM33956;C=CCOC(=NC)NO;OHFXRFIHFCULPK-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33957;MM33957;CN=C(NO)OCC=CF;RKGMYIXAPOAFIV-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33958;MM33958;C=CCC(=O)NOC;NYOLGKKTOVNJIO-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33959;MM33959;CC(=O)N(N)C(=O)C=CN;GSZNWSLAIJYIMO-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33960;MM33960;C#CC(=C)CN(C=O)N=C;BNEFCGBHVHDBPW-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33961;MM33961;C#CC=CC(=N)NC=NN;WUIRYISUPFQIMT-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33962;MM33962;CN(C)CCC(=O)CCF;SKLVAUPFMXLCHS-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33963;MM33963;COCC(=O)CCN(C)C;UUOIOKNZMDCXCH-UHFFFAOYSA-N;145.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33964;MM33964;CNN=C(OC)C(=N)N;QPHMAVQFDLQNFQ-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33965;MM33965;CNC(=O)OC=NNC=N;HYAUEMCVAGYIMD-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33966;MM33966;C=CC(=NN(C)C)N(C)O;FEBRXLULWZIRFI-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33967;MM33967;C=CNC(=N)C#CC(C)=O;MTRJEOQNUMCZBZ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33968;MM33968;N=CNN=C(N)OCCO;ZTSZSXFFHMLKPV-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33969;MM33969;CONC(=O)NC=O;IRUUADJQHDQLGT-UHFFFAOYSA-N;118.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33970;MM33970;C=NNC(=O)NOC;XQLSCNJQPICDFN-UHFFFAOYSA-N;117.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33971;MM33971;C#CC(CC(F)CF)=NN;XHCXYRJMEXXQND-UHFFFAOYSA-N;146.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33972;MM33972;CC(C=NN(C)C=N)CO;YNCAFOBPZNQTKP-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33973;MM33973;C=NOC(=O)NNC;BXGDLXWYMQFCMD-UHFFFAOYSA-N;117.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33974;MM33974;N#CC(=O)OC=NNC=N;BPLUOPIUYWKCAR-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33975;MM33975;CC(=O)CCN(C)C;WQVAMFRPCWXWSS-UHFFFAOYSA-N;115.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33976;MM33976;C=NOC(=O)NOC;AUYOBFWWLTYEBK-UHFFFAOYSA-N;118.09;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethyl 2-cyanoacetate";MM02892;CCOC(=O)CC#N;ZIUSEGSNTOUIPT-UHFFFAOYSA-N;113.12;0.46;7764;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33977;MM33977;C=C(NC=O)OCC;OWZIXSMKNSVVTH-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33978;MM33978;C=CC(=O)N(N)C(=O)CC;KRXLOFNPNJYELO-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33979;MM33979;C=CNC(=O)OCC;HNPDNOZNULJJDL-UHFFFAOYSA-N;115.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33980;MM33980;C=NNC(=O)OCC;HOJKRTZTKFYMNY-UHFFFAOYSA-N;116.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33981;MM33981;C#CCC(=C)CCC;VNGFUSKQBATBLB-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33982;MM33982;C=CC(=O)OC=NNC=N;NFWWNWMBMULMSI-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33983;MM33983;CN=C(C)N(C)C(=O)C=O;SNSFUXFGFPQJPX-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-methoxypent-4-yn-2-one;MM02667;C#CCC(=O)COC;ADYFOLMSLIWZMY-UHFFFAOYSA-N;112.13;0.23;62232962;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33984;MM33984;C=CCC(=C)CC=C;GAVFLURQXCLWEI-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33985;MM33985;C=CCC(=C)CC=O;QTURQZRUIWTOLO-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33986;MM33986;C=CCC(=C)CC#N;FNDXRHVIFZCVTJ-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33987;MM33987;C=C(CC=O)CC=O;JGFNAVOGNKJPEO-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33988;MM33988;C=C(CC#N)CC=O;MKFCVEQLMSNIDG-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33989;MM33989;C=C(CC#N)CC#N;GCRBHCQTPVSHNQ-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33990;MM33990;C=CCC(=O)CC=C;PBZROIMXDZTJDF-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxohex-5-enal;MM02970;C=CCC(=O)CC=O;GZGKIONVIQNMOQ-UHFFFAOYSA-N;112.13;0.72;87832126;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxohex-5-enenitrile;MM02262;C=CCC(=O)CC#N;KULNQWMNAFDJHP-UHFFFAOYSA-N;109.13;1.05;13861113;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33991;MM33991;N#CCC(=O)CC#N;NAZPXKCJDZOQEJ-UHFFFAOYSA-N;108.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33992;MM33992;C=NN(C)C(=O)CCCF;XGENINYELPVWCQ-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33993;MM33993;C=C(CC#N)NC=O;ZVLJWCKMJKAIRC-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33994;MM33994;C=NNC=NCC#CCN;SYRCGBXNXIFSEN-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33995;MM33995;N=CNN=COC(=O)C=O;OQBCXOMQRSNCLN-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33996;MM33996;CC#CC(=N)NOC=NN;SIVAMGOKXBBSCX-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33997;MM33997;C=CCC(=O)NC=O;IHXDKZBJJVSXEE-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33998;MM33998;C=CNC(=O)CC#N;RWXWVRHFJJHKLM-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM33999;MM33999;CCC(=O)CCN(C)C;ZXGZUSVWBJGJSH-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34000;MM34000;C=NNC(=O)CC=O;GLUXOBYQQQMYNB-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34001;MM34001;C=NNC(=O)CC#N;KYKFQEODXFKUQD-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethenyl 3-oxopropanoate";MM02847;C=COC(=O)CC=O;YQQYEQZRLYXYDK-UHFFFAOYSA-N;114.1;0.26;57245020;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02923;MM02923;C=NOC(=O)CC#N;KWROQWYBUUJGOL-UHFFFAOYSA-N;112.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34002;MM34002;CNC(=C(C)C=O)N(C)C;RWSIIEUUWVKQNV-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34003;MM34003;CC=NOC(CNC)=NN;HOCYSELTBYEPDE-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34004;MM34004;C=C(NC=O)NC=O;RYPXKBAMRAHMAG-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34005;MM34005;C=CN(C=C)C(=O)ON=C;IOWJTEWKPKYWIO-UHFFFAOYSA-N;140.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34006;MM34006;C#CC(C#C)=NNC=N;KWNKCUMOMIEGTQ-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34007;MM34007;CNN=CCN(C=N)C=N;CZXHDJHZRIOHNB-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34008;MM34008;C=CNC(=O)NC=C;XYVUMSLDGNBERJ-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34009;MM34009;C=CNC(=O)NC=O;ZAJHJKJMEYFQQM-UHFFFAOYSA-N;114.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34010;MM34010;O=CNC(=O)NC=O;DWTMJZUGKDTNRU-UHFFFAOYSA-N;116.08;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34011;MM34011;C=NOC(C)(C#N)C(=N)N;ZWYHFMFZEHRPNB-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34012;MM34012;CCON=CNCCC#N;XTKXJUQDRCIEHQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34013;MM34013;N#CCC=C(C#N)NC=N;ZCCXXPYLUBOQTA-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34014;MM34014;C=NNC(=O)NC=O;LMTBPNDYXXCARD-UHFFFAOYSA-N;115.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01798;MM01798;C=NNC(=O)NN=C;CEKHJNFUQAWBIR-UHFFFAOYSA-N;114.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34015;MM34015;C=NOC(C#N)OC;PHDISABANJGIHE-UHFFFAOYSA-N;114.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34016;MM34016;C#CCN(C)N=COC;BLOREHIAIQRPAO-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34017;MM34017;C=COC(=C)NC=O;OUGZOQKUOZHBTK-UHFFFAOYSA-N;113.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34018;MM34018;C=C(NC=O)OC=O;TYEYYVVGOMSJGP-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34019;MM34019;N#CC=C(N)NCCF;FUSKZEUOGPRKSF-UHFFFAOYSA-N;129.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34020;MM34020;C=CC(=O)N(N)C(C)=O;ZLDXDJFSPRBLOS-UHFFFAOYSA-N;128.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34021;MM34021;N=C(NC=O)OC=O;SRKPSQISPYKKKB-UHFFFAOYSA-N;116.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34022;MM34022;COCC=NOCOC;QBQUNEOLMGWHDZ-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34023;MM34023;C#CC(C#CCNC)=NO;SGNSOFIGDBZTEE-UHFFFAOYSA-N;136.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34024;MM34024;C=NOC(=N)NC=O;DBTNFNBULBAJET-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34025;MM34025;C#CC(=NN=C)C(=N)NN;RTXUSGNLQCZASL-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34026;MM34026;C=NOC(=O)NC=N;YXBYZUOXLHJUGD-UHFFFAOYSA-N;115.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34027;MM34027;C=NOC(=O)NC=O;DMYQDAHUJKZZDI-UHFFFAOYSA-N;116.08;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34028;MM34028;C#CCCCNCC=NO;YIAYUAZBUBIDPA-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34029;MM34029;C#CC(=O)NC(=N)NN=C;DWKAGDPZKRBHQE-UHFFFAOYSA-N;138.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34030;MM34030;C=NNC(=O)ON=C;KJCWBRUGYPHPKF-UHFFFAOYSA-N;115.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34031;MM34031;C#CC(C#C)(C=NN)OC;RKTRDMHICOLBFA-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34032;MM34032;C#CCC(=C)CC=C;FTGDINATEXXQQD-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34033;MM34033;C#CCC(=C)CC=O;ABVWIEUSYZGFEI-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34034;MM34034;C#CCC(=C)CC#N;QKGXBWAOTQTPKG-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15617;MM15617;C#CCC(=O)CC#N;WPJKPIPGPKRFGM-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34035;MM34035;C=NN(C=O)CC(C)CF;KIOJZZARWVUIIU-UHFFFAOYSA-N;146.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34036;MM34036;C#CCC(=C)NC=O;ZQKZZPDDLKYMAQ-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34037;MM34037;CCCOC(=N)N(N)C=O;RRXXDQPOWYILDN-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34038;MM34038;C#CCC(=O)NC=C;YEBMSGIFDUBGNZ-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34039;MM34039;CCCC(CNC)=NO;RHWUJINQYFNVBV-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34040;MM34040;C#CCC(=O)NN=C;MTOQWMXLBKDPRQ-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34041;MM34041;CNC(=CC#N)NCC#N;VHPQGXVVZGOWOB-UHFFFAOYSA-N;136.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34042;MM34042;C#CCC(=C)CC#C;QPHYXXUHFKPOJQ-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34043;MM34043;N#CC=CC(C#N)=C(N)N;SZPYSBCZQCXFRY-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34044;MM34044;CC#CC(C#CC)=NN;PLHJDAVQVFWZID-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34045;MM34045;OC(C=CF)CCF;PZHJMCULUNUROL-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34046;MM34046;C#CCN(C=O)N(C)C;GEJGPDVSZYNNSS-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34047;MM34047;OCCC(F)C=CF;GHOHOVRYTQAQPN-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34048;MM34048;C#CC(=O)NC(=O)C(=N)N;RWBWAXWSFMRDIQ-UHFFFAOYSA-N;139.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34049;MM34049;CC(C=NO)CCO;WTGZQTDDFJCCQD-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34050;MM34050;C#CC(C)(NC)C(O)C#N;KGKRCGYUUSLIRG-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34051;MM34051;ON=CC(F)CCF;PQNGFNRISBLZCE-UHFFFAOYSA-N;123.1;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34052;MM34052;C=CCC(C#N)=C(N)N;JJAVTWIJIHJCQE-UHFFFAOYSA-N;123.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34053;MM34053;C#CC(C)N(N)C(C)=NO;FVGFWQXTEAJRSP-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34054;MM34054;C=C(C)C(C#N)=C(N)N;NGXFMBAHWXHTMD-UHFFFAOYSA-N;123.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34055;MM34055;CN(C)CC(F)(C#N)C#N;OBGUZFJDJSIFEP-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34056;MM34056;NCC#CCN(O)C=NO;JCSMVIJMKNUKND-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34057;MM34057;C=C(C)C(C#CCN)=NO;UGXZBQGHSJAMSN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34058;MM34058;COCC(F)C=NO;WBSDPPIPSJQVEQ-UHFFFAOYSA-N;121.11;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34059;MM34059;COCC(C)N(N)C=NO;MOHKYEGLKWOUJC-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34060;MM34060;C=NN=C(NN)N(O)C=N;WCNUSOCJWVLFNN-UHFFFAOYSA-N;144.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34061;MM34061;CCCN(O)C=NO;YLCMBTVXLNKQJQ-UHFFFAOYSA-N;118.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34062;MM34062;C=C(C)CC(C#N)=C(N)N;RTEPHMZLBOEHPA-UHFFFAOYSA-N;137.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34063;MM34063;C#CC(O)C(=NC)NO;RIFVCBIESZLLIU-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34064;MM34064;C=CC(=O)N(N)C(=O)C=C;FPLVWCMKQASRLB-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34065;MM34065;CCC(=NO)N(C)C;UDPBBZKZGQSNHK-UHFFFAOYSA-N;116.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34066;MM34066;CCON(C)C=NO;XUQCDPBAZBDPCG-UHFFFAOYSA-N;118.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34067;MM34067;CC=CC(C)CC#N;JASXIDRYPYHLKW-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34068;MM34068;CC(C=CF)CC=O;ONWWQJQCKSDUMB-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34069;MM34069;C=NN(C)C(C#N)=CC#N;KWXIZWXKYUKCGA-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34070;MM34070;CC=CC(O)CC#N;PDDCYLORRQRXIB-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34071;MM34071;O=CCC(O)C=CF;DYLJCQMJVNUDRE-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34072;MM34072;N#CCC(O)C=CF;LHZNKFOIZKHIEH-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34073;MM34073;O=CCC(F)C=CF;AHJNSZZEGHWDGH-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34074;MM34074;CC(C=NO)CC=O;XHSHBHWHIYCMAW-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34075;MM34075;CC(C=NO)CC#N;FVJOERSXBFGFEJ-UHFFFAOYSA-N;112.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34076;MM34076;C=CCC(O)C=NO;BBDLLHMYSYYXRM-UHFFFAOYSA-N;115.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34077;MM34077;O=CCC(F)C=NO;PXSYZCLCXKHJDP-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34078;MM34078;N#CCC(F)C=NO;BYKRCOWGLSNWND-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34079;MM34079;CC(C=CF)NC=O;DNUJSRJKNJDKDE-UHFFFAOYSA-N;117.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34080;MM34080;CNN=CC(OC)OC=O;ZYQDVOWKCYIIPU-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34081;MM34081;C#CC=CC(C#N)=C(N)N;AJPMNPUNEDULGX-UHFFFAOYSA-N;133.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34082;MM34082;C=NNC(C)C=NO;MCRLVFSODXBEIK-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34083;MM34083;C#CC(N)=CC#N;LYFWNMZCPFXGPV-UHFFFAOYSA-N;92.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34084;MM34084;C=NOC(=O)CCOC;QNXJYEOKNJPROX-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34085;MM34085;C=NN=C(NNC)N(C)O;NFQZMIUFZGFAHC-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34086;MM34086;CN(C=NO)CC#N;UKJNVLZOKCLANU-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34087;MM34087;C#CC=NN(C)CC#N;PHNIPZNLRHGXBU-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34088;MM34088;C=CC(=NC=N)N(O)C=N;KKLLYNYFROKLJX-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34089;MM34089;C=CC(C#CCN)=NO;AZSAOEGGJAWFOM-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34090;MM34090;C=CCC(=NO)C(=N)NC;KHALIWAQQSFWTQ-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34091;MM34091;N#CCN(O)C=NO;DRWIGZOMGMYIJL-UHFFFAOYSA-N;115.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34092;MM34092;CCCON=C(CO)NC;MYARVURUJCZJFA-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34093;MM34093;C#CC(C#N)(C=O)N(C)C;WUJQIXPIBIXSQE-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34094;MM34094;C#CCC(C)C=CC;XTNGXLFCAAODDF-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15431;MM15431;C#CCC(C)C=NO;HYOSWOSJFQSRRZ-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34095;MM34095;CCN(O)C(=N)OCC#N;UYRPPXWYHNSADD-UHFFFAOYSA-N;143.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34096;MM34096;CCCOC(=O)N(N)C=N;OTNRSASOFNPSGK-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34097;MM34097;C=NNC(=O)C(=C)NC=N;SVZVJYLVVSPEAJ-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34098;MM34098;C=CN(O)C(=N)C=NNC;HWYWIRWYOLACAV-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34099;MM34099;C#CCN(O)C=NO;OTVRAPQJWQEHID-UHFFFAOYSA-N;114.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34100;MM34100;NN(C=O)C=NC=NC=O;GFIUGJCDKNIGHM-UHFFFAOYSA-N;142.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34101;MM34101;C=C(C=CC)CCC;HPNPZDPZHCWJDI-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34102;MM34102;CC=CC(=O)CCO;TZOOVSLZUHDYNM-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34103;MM34103;O=C(C=CF)CCF;OUEIECXJBFNMAX-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34104;MM34104;CCON=C(C=CN)CO;TXFNOFCCHSWBPI-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34105;MM34105;C#CC(N)CC=NNC=O;DEFKXVCLRAPIGJ-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34106;MM34106;C=C(C=NO)CCO;HKGGAQNVWYVVEN-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34107;MM34107;N#CCC(F)C(C#N)=CN;PJLOBTMTGDYSHN-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34108;MM34108;CC=NN(C)C(C#N)=NC;LEBYFVDQIKBOEI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34109;MM34109;C=CN(C=N)C(=NO)NC;UILCYMSDHQQCPW-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34110;MM34110;C#CC(N)C(N)C(O)C#C;QVPYMODEWRKTGI-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34111;MM34111;C=COCON=CCOC;AWQJSGOSYDLTFS-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34112;MM34112;CCC(C=O)N(O)C=NC;GNEFOLLUBZJYHH-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34113;MM34113;C=NOC(C#N)CF;FWVXRPYBTCVYNS-UHFFFAOYSA-N;116.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34114;MM34114;C=C(C=NO)COC;AFSXNVUCFNIZTJ-UHFFFAOYSA-N;115.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34115;MM34115;CC(F)C(C#N)=CN;UKNFYZSFYGPENI-UHFFFAOYSA-N;114.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34116;MM34116;C=CC(O)C(N)C#CCC;OOUOCCQOVXNLDE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34117;MM34117;C=CC(C)(O)C(CF)NC;FGCYQHDVJXMRJM-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34118;MM34118;CC#CC(=N)N(N)C=O;DPYYXCSHIWPHBC-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34119;MM34119;COC(=N)NN=CNN;RANWSGQEBMTGRG-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34120;MM34120;COCOC(C)=NNC=N;MFVFMNHXFBXJFD-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34121;MM34121;C=CCC(=O)C=CN;VOEKUOKGHVAICI-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34122;MM34122;C=CCC(=O)C=CF;TZMSBUYRSAVNCU-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34123;MM34123;N#CCC(=O)C=CN;ARGKSCLQHCXHMC-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15760;MM15760;N#CCC(=O)C=CF;LOJXOLSIXLVNRS-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34124;MM34124;C=C(C=NO)CC=O;ZOLBTOYCGBCWLH-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34125;MM34125;C=CCC(=O)C=NO;QCLPDDJLLDHCQR-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34126;MM34126;CCNN(C=O)CC#N;CVKVHLYVHANMJK-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34127;MM34127;C#CC(F)=CN(O)C(=N)N;CEKLFHIFKTXCTK-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34128;MM34128;C=CNC(=O)C=CN;MMBRNIZJPIEFLR-UHFFFAOYSA-N;112.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34129;MM34129;C=CNC(=O)C=CF;JBWUZGAXUHXZNO-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34130;MM34130;CC(C)(C)ONC(=N)CO;CQULRDHULXBAHD-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34131;MM34131;CC(C)C(C#N)=C(N)N;ZILYPURLYVQHLK-UHFFFAOYSA-N;125.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34132;MM34132;CC(=NNC=N)OCC#N;VCPCVQYFLNQXGZ-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34133;MM34133;NCC(F)CO;DTXCSCJRPZOOAQ-UHFFFAOYSA-N;93.1;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34134;MM34134;CCCC(=NNC=N)OC;FHQIWXWHORXBMX-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34135;MM34135;C=NNC(=N)C=NO;QKRBOFNLFFXWJS-UHFFFAOYSA-N;114.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34136;MM34136;C=C(C=NO)OC=O;JGGCYPJRCFSCHA-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34137;MM34137;COC(C)=NNC=N;GTMRSYMMTFEWOH-UHFFFAOYSA-N;115.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34138;MM34138;CCOC(C)=NNC=N;LNMXWEJOGZEBFP-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34139;MM34139;CC(=NNC=N)OC(C)C;VXRIKLGBFXUQJK-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34140;MM34140;C=NOC(=O)C=NO;KVDYKVPBYIKIGF-UHFFFAOYSA-N;116.08;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34141;MM34141;CC#CC(C)CCC;KZHHZKKPQWMHHM-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34142;MM34142;C=NN(C=N)C(=N)C=O;KSBFQUXSWZSQJO-UHFFFAOYSA-N;126.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34143;MM34143;CC(CO)=NN=CC(=N)N;LPAMGFDFFFDICF-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34144;MM34144;CC(F)CC(C#N)=C(N)N;SBNMMCFPZYRODK-UHFFFAOYSA-N;143.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hept-2-yn-4-ol;MM01568;CC#CC(O)CCC;AYFRKLSJSAVMRG-UHFFFAOYSA-N;112.17;1.17;20382009;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34145;MM34145;N=C(NO)NO;CGCNACTXBAFLSB-UHFFFAOYSA-N;91.07;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34146;MM34146;CC#CC(O)CCO;MGNFFGDAWZOZBF-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34147;MM34147;C=CCN(C)N(C)C(C)=O;UIRTZPHTMIUARR-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34148;MM34148;C=NN(C)C=NC(=O)C#N;NISIEWAERHIMNN-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34149;MM34149;CC#CC(O)COC;IYCBDBWRCKTWTQ-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34150;MM34150;CC#CC(C)CC#N;DVSJNUKNMXNWRR-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hept-1-en-5-yn-4-ol;MM01744;C=CCC(O)C#CC;VEMDQIDASBNBKW-UHFFFAOYSA-N;110.16;0.95;10820488;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34151;MM34151;CC#CC(O)CC=O;DFXJZXITHNBFDG-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34152;MM34152;CC#CC(O)CC#N;ASYJWUQCWHRBNY-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34153;MM34153;C#CCC(C)C#CC;VHIGZQOTPYKUIC-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34154;MM34154;C=C(C#CC)CCC;LGINTEXRHVAOAS-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34155;MM34155;C=NN(C)C=C(C#N)C#N;KEXKXGLBVROLNS-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34156;MM34156;C=C(C#CC)CCO;FOPQMCJKWHPZGS-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34157;MM34157;CC#CC(=O)CCC;NGDLDSJVXIMWCH-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34158;MM34158;CC#CC(=O)CCO;LFXSUTWDYYFWLG-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34159;MM34159;C=CC#CC(COC)=NN;VKEZHBHPBCPMDT-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34160;MM34160;N=CN(O)C=CC=CCO;XILRNJMZKGXLGD-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34161;MM34161;CNC(C#N)C(F)=CC#N;WRRVWIAVYVHUKN-UHFFFAOYSA-N;139.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34162;MM34162;CC#CC(=O)NOC;CSRFWBYAAMRJTE-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34163;MM34163;C=CCC(=C)C#CC;MFLUSKXGQCWPQV-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34164;MM34164;C=C(C#CC)CC=O;DHPKHDUXWPXUFO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34165;MM34165;C=C(C#CC)CC#N;BLILILPQRIDRKR-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34166;MM34166;C=CCC(=O)C#CC;VWGCPUFYHZNLQO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02108;MM02108;CC#CC(=O)CC=O;UYFCYROALKJYNR-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxohex-4-ynenitrile;MM02471;CC#CC(=O)CC#N;IFMPTTMJDPRICW-UHFFFAOYSA-N;107.11;0.49;85645107;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34167;MM34167;CC#CC#CC=NN;DVORDSBQPNHSQP-UHFFFAOYSA-N;106.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34168;MM34168;C=NOC(C)=NOC=O;LMMQEEUKUOASQG-UHFFFAOYSA-N;130.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34169;MM34169;COC(C=NN)OC=O;IXUCHZNVJVRFIU-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34170;MM34170;CC#CC(=N)NC=O;ZQHAJEBXXNVNHG-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34171;MM34171;C=CNC(=O)C#CC;HUIRCRUXTOKVDB-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34172;MM34172;CC#CC(=O)NC=O;SNWUNFMICJVNHX-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34173;MM34173;CCNC(=NNC=N)OC;CWURUMNYZKEJEL-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34174;MM34174;C#CCC(=C)C#CC;BFGZHIPGALCBHP-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15309;MM15309;C#CCC(=O)C#CC;QJDPRDJNQVUSPG-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34175;MM34175;CN(C)C(C#N)=NC=N;WDVUERUSEPOEIE-UHFFFAOYSA-N;124.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34176;MM34176;CN=CN=C(NN)NOC;UPUCNPNYASQSCW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34177;MM34177;CC(C)=CC(C#N)=C(N)N;OIBWQOPWXNAETD-UHFFFAOYSA-N;137.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34178;MM34178;CC(C=NO)C=NO;MJLODQVEVVZBIC-UHFFFAOYSA-N;116.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34179;MM34179;CCC#CC(N)CO;FDELGKDSNMMFIC-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34180;MM34180;CN(C=CC#N)C(=N)NO;SHOBDSKBIWHUJN-UHFFFAOYSA-N;140.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34181;MM34181;ON=CC(F)C=NO;BEETUGICUHJSGQ-UHFFFAOYSA-N;120.08;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34182;MM34182;COC=COC(N)=CC#N;QWYANHADTFSWPL-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34183;MM34183;CN=CN(N)C(C)C(C)O;CTQAQDMRJVLFGH-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34184;MM34184;CC=CN(O)C=NO;BRRFXYUHIPMGGI-UHFFFAOYSA-N;116.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34185;MM34185;CNN=C(NC(C)C)OC;OOUQMAAEODKYEH-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34186;MM34186;ON=CN(O)C=CF;SVMWIGBRGXSRKW-UHFFFAOYSA-N;120.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34187;MM34187;C=NN(C)C(C#N)=NC=N;PWDUIWDRDDEWOA-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34188;MM34188;CC(=NN=CCO)C(=N)N;XTUNIOAYRZOZIL-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34189;MM34189;CN(C=NO)C=NO;NSOHLGOLYBYVOU-UHFFFAOYSA-N;117.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34190;MM34190;C=NOC(CF)OCC#N;RFSVLNXGUORZQD-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34191;MM34191;C#CC(=NN)N(C)N;JRDQZVXNKCNSNN-UHFFFAOYSA-N;112.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34192;MM34192;CN(N)C(C=CF)=NN;CEVAUWIGTYQTHK-UHFFFAOYSA-N;132.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34193;MM34193;C#CC(N)C(C#C)C(C)O;SZCPSJXKEFTVMZ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34194;MM34194;C=NN=CCN(N)C=NN;YARBECUWPSDYOM-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34195;MM34195;C=C(F)C(C#N)=NNC=N;HEOMHOUXUDGOEX-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34196;MM34196;CC(CF)CN(O)C=N;RQNJBIVEKWVZKW-UHFFFAOYSA-N;134.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34197;MM34197;NN=CN(O)C=NO;MBIXSYWHWQMBQW-UHFFFAOYSA-N;118.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34198;MM34198;ON=CN(O)C=NO;SEODYWKCBZEHLR-UHFFFAOYSA-N;119.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34199;MM34199;C#CCOC(=NC=N)NC;NZAQQVAONBDHOA-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34200;MM34200;CC=NN(C)C=NO;YCECBTVXTZZJEE-UHFFFAOYSA-N;115.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34201;MM34201;CC=CC(=O)C=CN;UJSZHMDHVUGUJX-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34202;MM34202;NC=CC(=O)C=CF;DGVSARFFXKTZHE-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34203;MM34203;CC=NOC(C#N)OCC;KRPZKFXEGFXKMM-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34204;MM34204;C=C(C=NN)C=NO;KCSDAYAARXGNEJ-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34205;MM34205;C=C(C=NO)C=NO;HUGZDMREOTUZNU-UHFFFAOYSA-N;114.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34206;MM34206;CC#CC(O)C=NO;JHNDTONGTPTIOS-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34207;MM34207;CC#CC(=O)C=CN;LDIMTPNMKCURKA-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34208;MM34208;CC#CC(C)C#CC;VYPASTMUOHWEHN-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34209;MM34209;COCCC(C#N)=C(N)N;BQLBNSQMXDWJFW-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34210;MM34210;C=C(C#CC)C#CC;IGPYSXUNKKJCMA-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34211;MM34211;CC#CC(=O)C#CC;UBXCIYAIGASSIT-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34212;MM34212;CCCC(C)=CCO;CKWCTBJSFBLMOH-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34213;MM34213;N#CC(C=CCF)=C(N)N;AUHSXAIDQWMRQB-UHFFFAOYSA-N;141.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34214;MM34214;C#CC(C)=NOC;XRUKZVFGYBMMNF-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34215;MM34215;CC(=CCO)CCO;TWUDHDJKTHYMGY-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34216;MM34216;C=NN(C)C(=N)C#N;KHRLILUUVMXOTG-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34217;MM34217;C#CC(F)C=NNC;HTCMUXOKPRKQEB-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34218;MM34218;OCC=C(F)CCO;HQKDAADDHNIPFD-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34219;MM34219;OCCC(F)=CCF;AAFGOMYYGOWZPY-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34220;MM34220;C=NOC(=O)C=C(N)N;FTFVTTONPJPXKP-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34221;MM34221;OCC=C(F)CCF;GSJMQNXIDFJGEC-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34222;MM34222;C=CNC(C=O)=NN(C)C;LEFMSEPKQLGROZ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34223;MM34223;COC=C(C)CCO;UQXGOMITUVADNQ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34224;MM34224;CC(C#N)=C(N)CCC#N;OYWNPQDCFIOEBJ-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34225;MM34225;N#CCCC(C#N)=C(N)N;QGKKYEJFKGLMTD-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34226;MM34226;C=CC(OC)C(C#N)=CN;KHBXJMXMIIAKQF-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34227;MM34227;CCCC(C#N)=C(N)N;QVNZSPQZVCTEGM-UHFFFAOYSA-N;125.18;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34228;MM34228;C=CC#CC#CC=NN;PPQLPYZNTCQOLB-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34229;MM34229;COCC(C)=CCO;RBVBAHQZJGVUIF-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34230;MM34230;COC(C)(C)C(C#N)=CN;ZWTVZFKLYJKPTE-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34231;MM34231;COCC(F)=CCO;KHFJOVGRBQQJFL-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34232;MM34232;COC=C(F)COC;LDXQFDDSZCAKGY-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34233;MM34233;C=NN=C(N=CNC)OC;JGFAANKLMCMVEH-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34234;MM34234;CC(C)CC(C#N)=C(N)N;SBRVVTHORUQOTF-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34235;MM34235;CON=C(C)N(C)OC=O;ABLWHUOCCQQTTG-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34236;MM34236;C=NOC(=O)N(C)N(C)C;UCZCHGZOFRLLJR-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34237;MM34237;C=C(C#N)N=CNCC#N;PKNIORIPBQABAL-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34238;MM34238;C=CC=C(C)CCC;AHWGKLXMXHPYBI-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34239;MM34239;CCCC(C)=CC#N;UATIBVXCQWNCPG-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34240;MM34240;C#CC(C)=NOCCOC;OHEOWJVAIJVFOD-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34241;MM34241;NC(=CC=O)CCF;BLXJEOHJFDSZEE-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34242;MM34242;N#CC=C(F)CCO;ZIPGBYQVPGRZSV-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34243;MM34243;C=C(C)N(C=O)N(C)CC;FFQRLZJDYIXJOX-UHFFFAOYSA-N;142.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34244;MM34244;N#CC(=CN)CF;YGTMDXHUPLQVHU-UHFFFAOYSA-N;100.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34245;MM34245;C=NOC(=O)C(C)(C)OC;DCIIFYVGFAUNDN-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34246;MM34246;COCC(C)=CC#N;GFHIGPAJBVYTGW-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34247;MM34247;C=NOC=NN(C)CC#N;LHWFVAHBDQINSR-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34248;MM34248;COCC(F)=CC#N;SRWGSPJPTNTWPE-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34249;MM34249;N#CC=COC(N)=CC#N;UJMSXCDUMMYVBO-UHFFFAOYSA-N;135.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34250;MM34250;C=COC(C)C(=N)NO;KISNXFBYNUYPDX-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34251;MM34251;C#CCOC(=O)N(C)C=N;XALKTQRQMSAYHL-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34252;MM34252;CC#CC(C#N)=C(N)NC;KZGJVBSWFNMDRF-UHFFFAOYSA-N;135.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34253;MM34253;C#CC=CN(C=N)C(C)=O;MZSVIXHIBUSTNO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34254;MM34254;NN=CC#CCF;IDIDCHDAGYOWIL-UHFFFAOYSA-N;100.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34255;MM34255;CNN=C(C)NC=O;KVJGFNXTOKMNRT-UHFFFAOYSA-N;115.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34256;MM34256;C#CC(=NOC)C(=N)NN;QEARDTKKKSVPGA-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34257;MM34257;CC=NN=CN(C)CC#N;JDGLLDUHGIDONW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34258;MM34258;CCOC(N)=CC=O;PTXLNGALIGMLNS-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34259;MM34259;C#CC=C(C)CCC;CHNQIEYZPNUYCV-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34260;MM34260;C#CC(=O)N(N)C=NCC;IRBDNKZIFLRORH-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34261;MM34261;CC(=CCO)CC=O;DBBGUAMGVMRMBQ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34262;MM34262;CC(=CCO)CC#N;QONVNPGPCFCXIO-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34263;MM34263;CC=NOC=NN=COC;KZMBTOYXEOTFJT-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34264;MM34264;N#CCC(F)=CCO;DSTABBZNWSXDKQ-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34265;MM34265;COC=C(F)CC#N;IUOQWIZHJNHWKP-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34266;MM34266;CNN=CCCN(O)C=N;UCYFSTUTASSABG-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34267;MM34267;CC#CC(=N)NC=NO;KJXZCAGHQPLVIK-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34268;MM34268;C=CCC(OC)C(=N)NO;VXBSEQGCSHXETC-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34269;MM34269;C=NOC=NOC(C)=O;MRMBLYBFIKJLSR-UHFFFAOYSA-N;130.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34270;MM34270;CC(=CCO)NC=O;LWDJPAPEFJJULH-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34271;MM34271;C#CC(=O)OCON=C;YAHYYFGRZKVCRT-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34272;MM34272;COC=C(C)NC=O;KKLTZUYSZUDECB-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34273;MM34273;C=CCN(C=O)C=NC;RPWTYNGIBRAWJS-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34274;MM34274;CC(C)(C=O)N=C(N)C#N;MMCTUDNAGYYMDZ-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34275;MM34275;COC(=CC(C)(C)O)CN;ZUSAENBACLONIL-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34276;MM34276;CCN(C)N=C(C#N)NC;UJBPIHJNILGNCM-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34277;MM34277;C=CC=C(C)CC=O;ZPHFNHZXOIQXEN-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34278;MM34278;C=CC=C(C)CC#N;RHUSAWVBXGOVJX-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34279;MM34279;CC(=CC#N)CC=O;NBKYRQVSKKPHCM-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34280;MM34280;CC(=CC#N)CC#N;KWPFQZSXFKAQPV-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34281;MM34281;C=CCC(N)=CC=O;AQMLOMHRRMGJQM-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34282;MM34282;C=NN(C)C(=O)C(=C)OC;YUOVVTUEFCOFOV-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34283;MM34283;N#CCC(N)=CC=O;XPBVZMYUNCMYEK-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34284;MM34284;CCN(N)C(C=NO)=NC;PNKVQLHZJFMPIG-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34285;MM34285;CNN=CC=C(C#N)C#N;CZLXSTSRGYOWQI-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34286;MM34286;N#CC=C(F)CC#N;SODQGUDGCLXYTM-UHFFFAOYSA-N;110.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34287;MM34287;CC=NN(C)C=O;IMAGWKUTFZRWSB-UHFFFAOYSA-N;100.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34288;MM34288;CNN(C)C(=NO)NO;PFCORFZOLCKSMO-UHFFFAOYSA-N;134.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34289;MM34289;CC(C)C(=NO)N(C)C;ZLRMGUXTKVSKNO-UHFFFAOYSA-N;130.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34290;MM34290;C#CC(=N)N(O)C(C)=NC;NBHVKWKOBGOEGJ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34291;MM34291;CC(F)(F)C(N)C#CCO;FVYMCOOZOGCKKG-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34292;MM34292;C=NNC(=NN)N(C)O;ZOLHAQQWHJOATA-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34293;MM34293;CC=C(OC)C(N)CO;SEJXCTTXOHSNRJ-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34294;MM34294;C=NN=C(C)NC=O;YOMSUFFPFVQEDI-UHFFFAOYSA-N;113.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34295;MM34295;C=COC(C)=CC#N;ANKATVQPIZJMMK-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34296;MM34296;CC(=CC=O)OC=O;KAEFNTCPQUSHBL-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34297;MM34297;C=COC(N)=CC=O;AERJCLCXHDHXSK-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34298;MM34298;CC(C#N)=C(N)N;YWAVXEYUKQUMFN-UHFFFAOYSA-N;97.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34299;MM34299;CC(C#CCF)=NN;HQSIOQZVJKSDIM-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34300;MM34300;C#CC=C(C)CC=O;KHZLSMYCLZOYOG-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34301;MM34301;C#CC=C(C)CC#N;KQZBIUQFXKOILU-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34302;MM34302;C#CCNC(N)=CC#N;MEQIAGPCICQOEV-UHFFFAOYSA-N;121.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34303;MM34303;C#CCC(C)=CCO;SGZMWEGQCWFKSL-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34304;MM34304;COC(C)C(C#N)=CN;CPVSRDRYLSYNLG-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34305;MM34305;C#CCC(C)=CC=C;JSBKZMIVSGOJQG-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34306;MM34306;C#CCC(C)=CC#N;ACKKLNQLVKJDHU-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34307;MM34307;C#CCC(N)=CC=O;WKKYETSBAXPJHA-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34308;MM34308;C#CC(COC)=NN(C)C;ZLVRAZNQXDQNBL-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34309;MM34309;CC=CC(C)=CCC;SELZYHIPCAOSMT-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34310;MM34310;C=C(C=NOC)OCOC;WOBSZCKWTBLGRC-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34311;MM34311;N#CC(=CCO)C(=N)NO;RZGLXARCAZQKTI-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34312;MM34312;CC(C=NO)=CCO;XDXTXGWEWGTTGQ-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34313;MM34313;OCC=C(F)C=NO;ZVVADQWRBLGCJU-UHFFFAOYSA-N;119.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34314;MM34314;CN(C=O)C=NC=NC=N;WMJKPMPLODBJKZ-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34315;MM34315;CNCC=NOCCO;MYRQDTBQUTWCHR-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34316;MM34316;CC=C(CO)C(F)CN;PWTVDIAIQPPDPG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34317;MM34317;C#CCN(C=N)C(=O)C=C;MHJRSAFTLOVMCJ-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34318;MM34318;CON=CC=C(C#N)OC;GUGOOQRABXMKNR-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34319;MM34319;C=C(CO)C(F)CN;RYTIYBYCQKKSBF-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34320;MM34320;CNN=C(C)C=NO;ZOFMOBSPZNXODM-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34321;MM34321;CC(=N)N(C)C(N)=O;KDCAWFUEVRENEL-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34322;MM34322;CON=C(C)C=NO;XEGZRZAFFKWYLC-UHFFFAOYSA-N;116.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34323;MM34323;CC=CC(C)=CC#N;PGNRINQZNWBYRY-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34324;MM34324;N#CCN1CC1;CRADEJUHHQICPU-UHFFFAOYSA-N;82.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34325;MM34325;CC(C=NO)=CC#N;YGEHBQQLTPTFMS-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34326;MM34326;N#CC=C(N)C=NO;GXHWJOIWHIABEI-UHFFFAOYSA-N;111.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34327;MM34327;CC1NC1C#N;GMYKYCKUEYTTFJ-UHFFFAOYSA-N;82.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34328;MM34328;C=NN=C(C)C=NO;YGLCDAYESQUKFD-UHFFFAOYSA-N;113.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34329;MM34329;C#CC=C(C)C=CC;UJEGADLQQPUVGG-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34330;MM34330;CC(C)=NOCC#N;RGXFVRPPBRPJFZ-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34331;MM34331;CC#CC(F)=CCO;WZLJUKFFSVUOIZ-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34332;MM34332;C=CC=C(C)C#CC;OWHPGTMIRURDRK-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34333;MM34333;CC#CC(C)=CC#N;KEPFHCCAJXTOSY-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34334;MM34334;C=COC(N)=CC#N;IWQGAYCVJLXIES-UHFFFAOYSA-N;110.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34335;MM34335;C#CC=C(C)C#CC;LTRQDJXGHJJEOI-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34336;MM34336;CCC=NN(C)C=O;VTTBLPOBLSDGTO-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34337;MM34337;COC=NNC(=N)NN;CPPHLXUMGRRZSN-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34338;MM34338;C=COCC(N)=CC#N;CYZLOQJQYKYHJA-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34339;MM34339;N#CC(C=O)=NNC=N;HMTDZWKPKXSQKY-UHFFFAOYSA-N;124.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34340;MM34340;CC(O)C(C)CCO;WOHXXIWTEHLCQK-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34341;MM34341;C#CCC(=O)N(C)N=C;ZZIPWGPEUUHWPY-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34342;MM34342;C=NOC=NN=CC=O;VVWVOIPLAXOACA-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34343;MM34343;C#CCC(C)=NOCOC;HKQWFFMPQLHOLV-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34344;MM34344;CC#CC(=N)N(N)C(C)=O;ASVKWXZEHDATLC-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34345;MM34345;CN(C=O)OC=NNC=N;SFZDQYWHBSUBME-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34346;MM34346;CC(O)C(O)CCO;ANUUQAHHEZMTAS-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34347;MM34347;CC(F)C(O)CCF;ROIXWGHDIMTLLZ-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34348;MM34348;CN(N=CC=O)C(=N)CF;BOFCFKVMPWHSHU-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34349;MM34349;C#CC(=NNC)C(=C)OC;PCNBELLYXIHCHE-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34350;MM34350;COC=NOCC=NOC;FVBAEFBTVHAMQU-UHFFFAOYSA-N;146.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34351;MM34351;CC(O)C(F)CCF;WNRHIEREMPRVGX-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34352;MM34352;CC(F)C(F)CCO;DCFFOYRNAMYSNA-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34353;MM34353;C#CC=NOC;KCXAUTMXWCKITN-UHFFFAOYSA-N;83.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34354;MM34354;C=NN=CN(C)CC#N;IBJZIYWWFDAODQ-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34355;MM34355;NN(C=O)C=NOC=O;LMDABLICDUYNAR-UHFFFAOYSA-N;131.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34356;MM34356;CC(=NC(=O)C#N)N(C)C;KHNYJAQMOAEKEI-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34357;MM34357;CCNC(=NC)OCCO;DKDAVYCXZSBWHR-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34358;MM34358;C=C(COC)C(N)=CC#N;ZRLUTGNYXYMMOX-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34359;MM34359;C=CN(C(C)=N)C(=O)C#N;XUJWECGUJGSLLN-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34360;MM34360;C=NOC=NOC=NOC;XXQWERYDWIIFCW-UHFFFAOYSA-N;145.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34361;MM34361;N#CC1CN1;PGZUFTROELAOMP-UHFFFAOYSA-N;68.08;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34362;MM34362;COCC(N)=CC#N;SLWICPDSMMOWGC-UHFFFAOYSA-N;112.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34363;MM34363;COCC(O)C(C)F;HRMFXZOFLIISTN-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34364;MM34364;COCC(O)C(F)F;JDLTXPKIEUDWLR-UHFFFAOYSA-N;126.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34365;MM34365;CCOCC(N)=CC#N;KPTJREOESFSXNE-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34366;MM34366;COCC(F)C(C)O;SELSXNQSDCLIKR-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34367;MM34367;C=CN(N)C(=O)ON=C;BCUHMGHLPUMFNW-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34368;MM34368;C=CCOCC(N)=CC#N;CPWZXZROLJJEAI-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34369;MM34369;N#CC=C(N)COCC#N;SZNUSBNWJJHKEU-UHFFFAOYSA-N;137.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34370;MM34370;C#CCOCC(N)=CC#N;UXHVEBRMSPHBJF-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34371;MM34371;CC(=O)OCC(C#N)=CN;FPYALFNOIUWPMC-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34372;MM34372;CC(O)C(C)CC=O;GUXDGBBNSMURMG-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34373;MM34373;CC(F)C(C)CC=O;MPWGNLRSUBNRQP-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34374;MM34374;C#CC(=C)N(N)C(=O)C#C;HSWFRGJBYGMMBZ-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34375;MM34375;C=CCC(=NNC=N)OC;IZZPOAFOWNYFCX-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34376;MM34376;C=CC(OC)C(N)=CC#N;WJABZBLRWUIOPR-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34377;MM34377;CC(C)C(O)CC#N;GFNKFZXGNLHVMK-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34378;MM34378;CC(F)C(O)CC=O;QDKNBEMTZNIOHJ-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34379;MM34379;CC(F)C(O)CC#N;OYRSZIPSSNZIRO-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34380;MM34380;N#CCC(O)C(F)F;VFGNBCBSPWLEDI-UHFFFAOYSA-N;121.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34381;MM34381;CC(O)C(F)CC=O;CGIDKPOOKKZXFD-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34382;MM34382;CC(O)C(F)CC#N;MZTYJFOARCFPAR-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34383;MM34383;CON=CC(C)C#N;NYQYPRABCHDLIF-UHFFFAOYSA-N;112.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34384;MM34384;CC(F)C(C)NC=O;KBXQQKTUZPOZLQ-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34385;MM34385;COCC(C#N)=CN;FMPDHPPFWAYSNL-UHFFFAOYSA-N;112.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34386;MM34386;CN(C=CF)C=NC=O;YJEVNAZUKXMQBD-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34387;MM34387;C#CC(=N)N(N)C(C)=O;FVVINLUIRGQHDE-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34388;MM34388;C=COC(C)=NNC=N;ZLEPGPVGUFMEMH-UHFFFAOYSA-N;127.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34389;MM34389;C#CC(COC)=NNC;NENVLDXEIWQEGK-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34390;MM34390;C#CC(=NN)C(=C)OC;QGWPTFFGBALQCP-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34391;MM34391;CC(O)C(C)OC=O;DKSHHFZNXYEZOF-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34392;MM34392;CCOCC(C#N)=CN;UQDURZUHYNPTFT-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34393;MM34393;C=COCC(C#N)=CN;SRYJATSOKVWIQS-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34394;MM34394;CCN=C(NC)OCCO;DKDAVYCXZSBWHR-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34395;MM34395;CC(C#N)(C=O)NCCF;UNMOJDBNHGOZJO-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34396;MM34396;CC(F)CNC(C)CO;UWWJPLGDVDSMSX-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34397;MM34397;CC(C)OCC(C#N)=CN;IXOIGOWCUWQOLG-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34398;MM34398;C#CC(C#C)=NNC(C)C;IKHCVRYIGXNYRK-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34399;MM34399;COC=CN(N)C(=O)OC;GCZCEVACYNBMAY-UHFFFAOYSA-N;146.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34400;MM34400;COC(=NNC=N)C(C)C;PBKQAYKGGQKKJF-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34401;MM34401;C=CC(F)C(=N)NN(C)C;GLLPDAROIUTJSE-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34402;MM34402;C#CCC(O)C(C)O;OSVBIOVGDYQNKZ-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34403;MM34403;CC(=O)C(C)CCF;VVOAEYVWURFNMO-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34404;MM34404;CNC(=CC#N)CCC#N;KSZKJUUCMORGMC-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34405;MM34405;CC(CCF)C(N)=O;PJUWTXQHLMLJSA-UHFFFAOYSA-N;119.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34406;MM34406;CC(CCO)C(=O)O;JYTYEGKJKIXWOJ-UHFFFAOYSA-N;118.13;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34407;MM34407;CC(CCF)C(=O)O;WWRVSYXQBRFEBU-UHFFFAOYSA-N;120.12;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34408;MM34408;COCOCC(C#N)=CN;LZPZEVCUYZWHST-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34409;MM34409;C=CCOCC(C#N)=CN;AGLLIXMXZRJRKM-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34410;MM34410;NN=CC=NNCCF;JHHUEMLIRRQGMP-UHFFFAOYSA-N;132.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34411;MM34411;N#CCOCC(C#N)=CN;PCIAGPFGNBZNCF-UHFFFAOYSA-N;137.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34412;MM34412;C#CCOCC(C#N)=CN;OIAWIEIIJZWAIO-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34413;MM34413;CC(O)C=C(F)C#CCN;YXDFRIHQXONPNE-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34414;MM34414;C=C(C)C(O)CCO;BZQZWOYZOVQJLT-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34415;MM34415;CCCC(O)C(C)=O;UHSBCAJZDUQTHH-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34416;MM34416;CON=CCN(N)C=NN;PRQAEAXAVVONAL-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34417;MM34417;C#CC(C)C(=O)CNC;BEWBUVNOBKMPOL-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34418;MM34418;N#CC=C(N)N;DQDDGCDRIVTXOX-UHFFFAOYSA-N;83.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34419;MM34419;CC(=O)C(F)CCO;UAKNRGVVNSKOJP-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34420;MM34420;CC(=O)C(F)CCF;IGYSIDYFJDCKDL-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34421;MM34421;CCCC(F)C(N)=O;HZCNIWRUOWKQKA-UHFFFAOYSA-N;119.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34422;MM34422;C#CC(COC)=NN;WSCZVDZTMOAWSJ-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34423;MM34423;C=NOC(=N)N(C)C=O;UMZCEUHDBJTMLV-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34424;MM34424;CN(C=O)C(=N)C=CF;XLBLQTTXIRBRSC-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34425;MM34425;NCC#CCN=CNO;MUHPTELYJZHANR-UHFFFAOYSA-N;127.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34426;MM34426;CNC(=NC=N)OCC#N;BXAOADOBMMHSNJ-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34427;MM34427;C=COC(C#N)ON=C;APNWVBCDHUSWKQ-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34428;MM34428;CN=CNC(C)(C#N)C#N;BZKDAQGRQTVXGZ-UHFFFAOYSA-N;136.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34429;MM34429;C=NOC(C#N)ON=C;PWMVOUPOZHKYIU-UHFFFAOYSA-N;127.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34430;MM34430;COCC(C)C(N)=O;BQTJJGGRUHUVMD-UHFFFAOYSA-N;117.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34431;MM34431;CC=NOCOCC#N;AJMYETSPKFLZOT-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34432;MM34432;C=C(C)C(O)COC;OOLNVQPIDVHJNB-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34433;MM34433;COCC(F)C(C)=O;ROQPHOUUCGLLOF-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34434;MM34434;COCC(F)C(=O)O;WFPKUVPQWRZPDQ-UHFFFAOYSA-N;122.1;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34435;MM34435;CCOC(C)C(C)=O;UKIKCLGEESVZAE-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34436;MM34436;C#CC(C)NC(N)=CC#N;IHNYINDXGKBROT-UHFFFAOYSA-N;135.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34437;MM34437;CC(C)NN(C=O)CC#N;SCMBALSKXLXDQS-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34438;MM34438;C=NOC(=NN(C)C)OC;JXTOPTVEHFJBMS-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34439;MM34439;COC(CC#N)=NNC=N;FRRISONETJWSJK-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34440;MM34440;C=NOC(=O)C(C)COC;QGSSBEPKEBDGRD-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34441;MM34441;CCNC(C#N)(C=O)CF;LBGVIOZLAYCEIW-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34442;MM34442;N#CC=NOC=NNC=N;PSQIVPRQPMZSBK-UHFFFAOYSA-N;139.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34443;MM34443;CCCN(O)C(C)=O;VLYSMITYARRHIH-UHFFFAOYSA-N;117.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34444;MM34444;CCCN(O)C(N)=O;XOEHJSYHHQGBFB-UHFFFAOYSA-N;118.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34445;MM34445;CNN=CC(C=O)=CC#N;LGKBPYWBWDXDTC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34446;MM34446;CCON(C)C(C)=O;NAWUEJBIHGXWBE-UHFFFAOYSA-N;117.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34447;MM34447;CCON(C)C(N)=O;IJTOGOCBDLZSHU-UHFFFAOYSA-N;118.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34448;MM34448;C=C(C)C(C)CC=O;IAUMINGBLKAARI-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34449;MM34449;CC(=O)C(C)CC#N;LQHLNWGSGCLQIH-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34450;MM34450;CC=NN(C)C(C)=O;YGNHYPDQNRKIAC-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34451;MM34451;C#CC(CC)=NOC;NWDKVWFPBFCJPN-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34452;MM34452;CNNC(=NNC=O)OC;RRFJIGPASQFXJX-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34453;MM34453;CC(CC#N)C(N)=O;QFAODSNDORDXRU-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylpent-4-enoic Acid";MM01609;C=CCC(C)C(=O)O;HVRZYSHVZOELOH-UHFFFAOYSA-N;114.14;1.28;549519;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methyl-4-oxobutanoic Acid";MM03713;CC(CC=O)C(=O)O;RXJJIFUOUWVKTA-UHFFFAOYSA-N;116.12;0.3;18668024;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyano-2-methylpropanoic Acid";MM03273;CC(CC#N)C(=O)O;LMEKMWZJKGZZLR-UHFFFAOYSA-N;113.12;0.62;10942384;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34454;MM34454;C=C(F)C(C)CC=O;AEWHOWGTYLWEIM-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34455;MM34455;C=C(C)C(O)CC=O;NBUQBIONCOIUFZ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34456;MM34456;C=C(C)C(O)CC#N;NGQVMWLFLSSMHB-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34457;MM34457;C=CCC(O)C(C)=O;XQUYLAGLGAHCHT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34458;MM34458;C=CCC(O)C(N)=O;KSVKSMSUGRASOK-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34459;MM34459;C=C(F)C(O)CC=O;AKAJXAUNSDHIPW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34460;MM34460;C=CCC(F)C(C)=O;LXAJQPAQDINXTH-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02399;MM02399;CC(=O)C(F)CC=O;OAYQHZZQGJKTSZ-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34461;MM34461;C#CC(C#N)=C(N)NC;OGHYFNNPQHPKEB-UHFFFAOYSA-N;121.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34462;MM34462;CCC=NN(C=O)CC;QVAALJKUEFWCRN-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34463;MM34463;C=CCC(F)C(N)=O;BBDQVJUQFZZUEB-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34464;MM34464;N#CCC(F)C(N)=O;LVZMYJOYWZKOOF-UHFFFAOYSA-N;116.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34465;MM34465;CNN=CC(C)(F)CC#N;UYQYNUQVHPVUSB-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34466;MM34466;CCCC(N)CN=CNO;FTVRTMCQZZZMRR-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34467;MM34467;CC#CC(=NO)C(=N)NN;DQAWWQRQEWFTRG-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34468;MM34468;CC(=O)C(C)NC=O;WPFCCBBLIZWNJA-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34469;MM34469;N=CNN=C(NO)NC=O;KRKKLQAAJGGDBU-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34470;MM34470;CC(C#CCF)=NN(C)C;LLWWUCXDORKDMU-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34471;MM34471;CC#CC(O)C(=NC)NO;AELJVLHJYKNDNQ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34472;MM34472;CC=CN(C=O)C=NC=N;YZNKWDKFZLYNKT-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34473;MM34473;CC(=O)C(C)OC=O;XAQLIINYMRFEFW-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34474;MM34474;C#CC(C#C)C(N)=CC#N;PGBMRYAVHGTGCT-UHFFFAOYSA-N;130.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34475;MM34475;C=COC(C)C(N)=O;MBEZWDLBMHLFTM-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34476;MM34476;CON=C(NN)N(O)C=N;OSOPGZROKOXZNO-UHFFFAOYSA-N;147.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34477;MM34477;C#CC(=N)N(C)C=O;NUSHXDGDMZWUSR-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34478;MM34478;CNN=C(CCO)NC=N;AGMCHYKBUJMVLH-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(methylideneamino)oxypropanoic Acid";MM03555;C=NOC(C)C(=O)O;KTBRCGLBAJSOIF-UHFFFAOYSA-N;117.1;0.09;88487035;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34479;MM34479;CC=NN(C=O)CC;OXEPUVBHBKTFGI-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34480;MM34480;N=CN(C=N)OC(=N)NO;GZFRFXYJHVPVQX-UHFFFAOYSA-N;145.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34481;MM34481;CC=NOC=NOC;WZERYSHDQRIHON-UHFFFAOYSA-N;116.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34482;MM34482;C#CCC(=CC#N)NC;TWUOKAGFEARMGI-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34483;MM34483;CC(=O)N(C)CC#N;QITPLPZRGCEKHE-UHFFFAOYSA-N;112.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34484;MM34484;CNN(CC#N)C(C)=O;WZGJTVNNASTRLU-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34485;MM34485;C=CCN(C)C(N)=O;WMYLQUMMERNLNE-UHFFFAOYSA-N;114.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34486;MM34486;CN(CC#N)C(N)=O;QITXTCNQBLAFAI-UHFFFAOYSA-N;113.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34487;MM34487;C=CN(C=NC)C(C)=O;OLIWUDBJJSOESP-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34488;MM34488;C=NN(C)C(=NN)N(C)O;NOIZMEMUXLQRIC-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34489;MM34489;C=CCN(O)C(C)=O;IYYNCVXNEYTYCO-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34490;MM34490;C#CC(C#C)C(=N)N(C)O;RPZXLUNLDSINCA-UHFFFAOYSA-N;136.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34491;MM34491;CN(OC=O)C(N)=O;XZRBIHROTCENCH-UHFFFAOYSA-N;118.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34492;MM34492;C#CCC(C)C(N)=O;GMWOKPLWNCRQGI-UHFFFAOYSA-N;111.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34493;MM34493;C#CCC(C)C(=O)O;MUIUIMCXQOKXTL-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34494;MM34494;CNN(C=O)C(C)C#N;VIHCEOWROLDUDK-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34495;MM34495;C=CN=CNC(=N)NN=C;KRYNHXZQBDZQEU-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34496;MM34496;C#CCC(O)C(=O)O;ZSZOFTSMZOGZGN-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34497;MM34497;C#CCCN(C=O)N=C;CCLILQRGWCFHDL-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34498;MM34498;C#CCN(C)C(C)=O;VYAMKMQYVSEZSB-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34499;MM34499;C#CCON=CON=C;MCPRGUXTINMSSS-UHFFFAOYSA-N;126.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34500;MM34500;C=NOC(C)(C#N)CC#N;PLNRSWGCEBZGJG-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34501;MM34501;CN(CC#N)N=CCC#N;KPLRXYQHNGCESN-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34502;MM34502;C=C(C)C=C(CN)C(N)=O;LSOGRLVKWIQCIW-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34503;MM34503;CC#CC(=O)N(N)C=NC;AYNBMHGBCDYGHX-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34504;MM34504;C=C(CCO)C(C)O;WVDCDYYKGKSHSP-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34505;MM34505;C#CC(C#C)(OC)ON=C;BNQCEVMEWSQXRO-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34506;MM34506;CC(C)C(=O)CCO;PWKGUHIWXLFLFN-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34507;MM34507;CCCC(=O)C(C)O;ZWBUSAWJHMPOEJ-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34508;MM34508;CC(F)C(=O)CCO;JEKMWVARMMLCIM-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34509;MM34509;CC(F)C(=O)CCF;OWXPVCNTUZYVCN-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34510;MM34510;C=NN(C)C(=O)C=COC;IQUYYSDMXHBNCI-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34511;MM34511;C=NN(C=NC)C=NOC;MCIYZCULBILAOU-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34512;MM34512;N=CNN=CON=CCO;QMEXNOGVYPWXEK-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34513;MM34513;C#CC(COC=C)=NNC;ITKVSSJXAJYZBQ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34514;MM34514;C#CC(C#N)=C(C#C)NC;VYKFXAHHCDZRMX-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34515;MM34515;C=CC(=NC(C)=NC)NO;ZREUOLPYZWJEDM-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34516;MM34516;C#CCN=CN(C)O;YVNHZUVAXMZJBN-UHFFFAOYSA-N;112.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34517;MM34517;CC=CC=C(CN)C(N)=O;AABYSGSZGGDSOS-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34518;MM34518;CN(C=NC=O)CC#N;LSUILBZZNPDWDX-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34519;MM34519;C=C(COC)C(C)O;VFHISFMCEOLBRY-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34520;MM34520;C=NN(CC#N)CC#N;HZVHXEMICVFHQA-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34521;MM34521;CC#CCN=CN(C)O;AAKZPUAPCNIZDA-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34522;MM34522;C=NOC(=O)C=C(N)NC;GFEKVQYBWZHYNK-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34523;MM34523;CONC(=O)C(C)C;VDILAOANERKSHE-UHFFFAOYSA-N;117.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,2-difluoro-N-methoxyacetamide;MM03170;CONC(=O)C(F)F;GZSQANNAHHSKBC-UHFFFAOYSA-N;125.07;-0.07;103515761;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34524;MM34524;CN(C)N=C(C#N)N(C)C;CWVSAAUSINUDQB-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34525;MM34525;CCOC(=O)C(C)O;LZCLXQDLBQLTDK-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34526;MM34526;CC(CC#N)C(N)=CC#N;KEQBZBYYROWSLY-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34527;MM34527;CON=C(NOC)N(C)C;HEMUFHQIXBZIIN-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34528;MM34528;C=NN(C=O)CC(=C)OC;GFMDERUEOJXFFL-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34529;MM34529;CNN(C=O)C=C(F)C#N;UQUZEIILXXLMLW-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34530;MM34530;C#CC(=NN)C(C=C)OC;JXOJPMMGCIGFTO-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34531;MM34531;COCC(=O)N(C)C;DZLUPKIRNOCKJB-UHFFFAOYSA-N;117.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34532;MM34532;COCC(=O)N(C)O;POLIPDFTPOOUFO-UHFFFAOYSA-N;119.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34533;MM34533;N#CCNCC(F)F;KMAMCALKUHHVSP-UHFFFAOYSA-N;120.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34534;MM34534;CCNC(=O)N(C)C;HYTCSCBDAFJMIP-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34535;MM34535;N=CNN=CON=CCF;MXRDVEVBDYBSNE-UHFFFAOYSA-N;146.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34536;MM34536;CCNC(=O)N(C)O;WLMIHJOVTGXQIA-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34537;MM34537;C=NN=CON=CC;OOFRCXHDRAVGKD-UHFFFAOYSA-N;113.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34538;MM34538;CCNCC(=O)C(C)=CN;COADAPVWKBOTLC-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34539;MM34539;CCNCC(=O)C=C(C)N;YLBZKVQSPHHVQN-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34540;MM34540;CNNC(=O)N(C)O;HVUSSXDHGKENRO-UHFFFAOYSA-N;119.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34541;MM34541;C=C(C)C(=O)CNCC;ORNFVWCMGDZMMO-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34542;MM34542;COC=NOC=NNC=N;NMVUCZAHVFRKII-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34543;MM34543;CONC(=O)N(C)C;FPCCAHCCLLISEL-UHFFFAOYSA-N;118.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34544;MM34544;CONC(=O)N(C)N;KSAKWSDIIYPNIL-UHFFFAOYSA-N;119.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34545;MM34545;CONC(=O)N(C)O;HXVMCHQVIDQIRQ-UHFFFAOYSA-N;120.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34546;MM34546;COC(C#N)=CN(C)C;JWIBLWZUBJUOJY-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34547;MM34547;CCCC=NN(C)C=O;RRYRDWYHGYXCIB-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34548;MM34548;CCOC(=O)N(C)O;YRTBSGQZNKFMGF-UHFFFAOYSA-N;119.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34549;MM34549;C=C(CC=O)C(C)C;GMYVQLPUUZYVAN-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34550;MM34550;C=C(CC=O)C(C)O;JFKXOGIVSMQFDG-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34551;MM34551;C=C(CC=O)C(C)F;LNFUSPORGZVIOE-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methyl-3-oxopentanenitrile;MM02282;CC(C)C(=O)CC#N;VKZGTORDNRVMIN-UHFFFAOYSA-N;111.14;1.13;10129921;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34552;MM34552;C=CCC(=O)C(C)O;PNWFWHKJTFOWGT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34553;MM34553;CC(O)C(=O)CC#N;IPGCSDKREJSZHF-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02197;MM02197;CC(F)C(=O)CC#N;YHFKXJFJJPXHNU-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34554;MM34554;C=CNC(=N)C(C#N)=CN;PCCCAKJVOLAASS-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34555;MM34555;C=C(NC=O)C(C)O;BZWBNXJPSBLWCE-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34556;MM34556;COC(C)C(N)=CC#N;CBRFCWVVXAXMBY-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34557;MM34557;C=C(NC=O)C(F)F;JULWJMUPLPRALH-UHFFFAOYSA-N;121.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34558;MM34558;C=CC(=N)N(C)C(=O)C#N;ZUHURWBKAKRNDT-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34559;MM34559;C=NOC=NNC=N;MTDMIDBETGGVBM-UHFFFAOYSA-N;114.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34560;MM34560;CC=NOC=NNC=N;RIGJUWOXMKOCHW-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34561;MM34561;CCC(=NNC)N(C)C=N;MGVWZCQOZJBDOT-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34562;MM34562;C=C(OC)N(C)C=NC=O;DUFAMJFDOGUCOE-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34563;MM34563;CC(C)=NOC=NNC=N;OEPARAGKVBWTHE-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34564;MM34564;N=C(NC=O)C(F)F;FTLCMNIHWWIFKN-UHFFFAOYSA-N;122.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34565;MM34565;CC(C)C(=O)NC=O;YLLQBPKVELVHOJ-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34566;MM34566;C=CNC(=O)C(C)O;FTJUNWDRXHZHHO-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34567;MM34567;CC(O)C(=O)NC=O;DFQRZRNXSMCNNK-UHFFFAOYSA-N;117.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34568;MM34568;C=CNC(=O)C(C)F;IZBAIBRQALGCGR-UHFFFAOYSA-N;117.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34569;MM34569;C#CCCNC=NNCC;XXWGNVGZTFGNJC-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34570;MM34570;CCC=NOC=NNC=N;FSWFVRDCBQUPKB-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34571;MM34571;C=CC=NOC=NNC=N;POQZMBLVZHMOKW-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34572;MM34572;CNN=CN=C(C)NC=N;WPHXWRSGRINDAC-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34573;MM34573;C=NNC(=O)C(C)O;OJBOFJIVFQPWEV-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34574;MM34574;C=NN=CN=CN(N)C=O;FWKOZYFZXVGAGT-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34575;MM34575;C=C(OC=O)C(C)O;DFHWTRMXZAXPNM-UHFFFAOYSA-N;116.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34576;MM34576;C#CC(=CF)OCON=C;DPSJDVILRSBCLJ-UHFFFAOYSA-N;143.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34577;MM34577;C=COC(=O)C(C)O;MPOGZNTVZCEKSW-UHFFFAOYSA-N;116.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34578;MM34578;C#CC(=O)C(=C)NC=N;HTRSLZHTVMFQJB-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34579;MM34579;N=C(N)C(F)(F)C=O;GFVYGOSESIRRMK-UHFFFAOYSA-N;122.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34580;MM34580;N=CNN=CON=CC=O;SCHOZJBWKIONNV-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34581;MM34581;C=NOCC(F)C#N;QXWGHJWCGLEGMW-UHFFFAOYSA-N;116.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34582;MM34582;C#CC=NOC=NNC=N;DMONZSCHNYYJDR-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34583;MM34583;C#CC(=O)N(N)C=NC;LSJAFXGKYXDEOB-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34584;MM34584;CN(C)C(=O)CC#N;MATJPVGBSAQWAC-UHFFFAOYSA-N;112.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34585;MM34585;CN(O)C(=O)CC#N;JEIGAJJQXBBVLR-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34586;MM34586;CC=NN(CC)C(C)=O;QRBIZQMXUFUUFA-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34587;MM34587;CCCC(=NC=N)NC=N;YKPKCAOWLHBLOR-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34588;MM34588;C#CC(COC=C)=NN;RTWGWYDIKWCONM-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34589;MM34589;COC(=O)N(N)C=C(C)C;STEFTABHIBFBPZ-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34590;MM34590;CC(=NNC=N)OC=O;DEBZXKYNAUJNKL-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34591;MM34591;CCCOC(=NN)C(=N)N;UGXSAKBHKYIQHT-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34592;MM34592;C=CNC(=O)N(C)C;JPSIJROSIGKIBF-UHFFFAOYSA-N;114.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34593;MM34593;CN(C)C(=O)NC=O;SIBCVHXNDPAYIK-UHFFFAOYSA-N;116.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34594;MM34594;N#CCOC(N)=NNC=N;YGPMPQLQOAYFIN-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34595;MM34595;C=C(C)C(=NC=N)NC=N;CBKIKAJVGRRSCP-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34596;MM34596;C=CNC(=O)N(C)O;AUMBXYMFBLVEIS-UHFFFAOYSA-N;116.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34597;MM34597;CN(O)C(=O)NC=N;AUUHNHBVUFPCIS-UHFFFAOYSA-N;117.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34598;MM34598;CN(O)C(=O)NC=O;VVFGBOBSQJWYOB-UHFFFAOYSA-N;118.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34599;MM34599;N=C(N)C=NN=CC=NN;NKGFLSUFTFWYJT-UHFFFAOYSA-N;140.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34600;MM34600;C#CC(N)CC=NNC=N;BROKVJCNYXQIGI-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34601;MM34601;C=NNC(=O)N(C)C;DFZDDUCTRFMAAD-UHFFFAOYSA-N;115.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34602;MM34602;C#CC(F)C(=N)NC=C;ZQIYFETXZBZIOD-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34603;MM34603;C=NNC(=O)N(C)O;VPUGEJJLNDLTKD-UHFFFAOYSA-N;117.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34604;MM34604;C#CCN(C(C)=N)C(C)=O;MVKNZGGZXOIQET-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34605;MM34605;C#CC(C)N=CN(N)C=O;BKJNLSYRWUKSBL-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34606;MM34606;C=CC=CN(N)C(=O)OC;VQECETHNWWUTRG-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34607;MM34607;C#CC(=N)NC=NOC=O;OOMMPWQGIIMRFQ-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34608;MM34608;C#CC(=NNC)C(C)OC;OYADXHHTXPSECU-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34609;MM34609;C#CCC(=O)C(C)O;CIOMCQXQBJEHGC-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15593;MM15593;C#CCC(=O)C(C)F;WDOIOVRWISPASN-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34610;MM34610;C#CC(CCC#N)=NNC;HVBTUNPALXTFCK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34611;MM34611;C=NN(C=O)CC=COC;YUSJFQZTEYRPCS-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34612;MM34612;CCNC(=N)C(C#N)OC;PTVXKFQVVRODHE-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34613;MM34613;C#CCC(=O)N(C)C;AOVYTCWCRMTLMS-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34614;MM34614;C=NOC=NN(C=N)C=O;MEFWPFBFRFAQFG-UHFFFAOYSA-N;142.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34615;MM34615;C#CCC(=O)N(C)O;ZQVJGSKFSLQGFD-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34616;MM34616;C=C(CCO)C(C)=O;FPPYKWBKHXTURR-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34617;MM34617;C=CN(C=O)C(=N)ON=C;PQJOQKZSUCPQLV-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34618;MM34618;C=C(CCO)C(=O)O;NJMYQRVWBCSLEU-UHFFFAOYSA-N;116.12;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34619;MM34619;C=NOC(=N)N(C=N)N=C;UFTHMUFWYFYHEF-UHFFFAOYSA-N;141.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34620;MM34620;C=C(C)C(=O)CCO;SAJQFIMRYKQCMA-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34621;MM34621;CCCC(=O)C(C)=O;MWVFCEVNXHTDNF-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxopentanoic Acid";MM03444;CCCC(=O)C(=O)O;KDVFRMMRZOCFLS-UHFFFAOYSA-N;116.12;0.44;74563;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34622;MM34622;O=C(O)C(=O)CCF;ISCGXHJLTKJVCB-UHFFFAOYSA-N;120.08;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34623;MM34623;C=C(F)C(=O)CCO;FFVWXLPYMKGTFZ-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34624;MM34624;CNN=C(C)C(OC)OC;MUVLZASZFTYIOP-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34625;MM34625;C#CC(=NNCC)NN;POBPCSKKOQQNFA-UHFFFAOYSA-N;126.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34626;MM34626;CNC(C#N)C(F)F;RKGBWOOJYQUNFA-UHFFFAOYSA-N;120.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34627;MM34627;C#CC(C#C)NCC(C)=O;WVEJVDAAMHAPFP-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34628;MM34628;C=C(COC)C(C)=O;ZZLNDDZUSICEES-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34629;MM34629;C=NOC(C)(C#N)OC;GLAIAIOIGQJHSL-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34630;MM34630;C#CC(C)NC(C#C)C=O;OAWUUSMWMZNIQJ-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(methoxymethyl)prop-2-enoic Acid";MM03721;C=C(COC)C(=O)O;NOHCGJVKOIEMCT-UHFFFAOYSA-N;116.12;0.27;21474940;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34631;MM34631;C=C(C)C(=O)COC;YEUGDYALUPRBSE-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34632;MM34632;C=C(OC=O)N(N)C=O;HDUZUYTVSQITPE-UHFFFAOYSA-N;130.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34633;MM34633;COCC(=O)C(N)=O;PHXQWICWIQNJHL-UHFFFAOYSA-N;117.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34634;MM34634;COCC(=O)C(=O)O;WAYDKZIIYRPMAB-UHFFFAOYSA-N;118.09;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34635;MM34635;C=C(F)C(=O)COC;OYRQDTBCDXGEFX-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34636;MM34636;C#CC(C)(C#N)C(=N)NC;WNKWYADMRUOYDL-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34637;MM34637;CC=CN(N)C(=O)OC;PBSFCZVZOMFOMP-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34638;MM34638;CCNC(=O)C(N)=O;TYPDOONVJVBDKE-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34639;MM34639;CN=CN=NC=CNN;ZIUGKXJXGGHABF-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34640;MM34640;COCCCNC(C)C=O;RVAIFWYAOQAFEY-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34641;MM34641;CNNC(=O)C(N)=O;DJYCCRLBALWXDO-UHFFFAOYSA-N;117.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34642;MM34642;CC#CC(COC)=NN;HINUINMCYLERBL-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34643;MM34643;C=C(C)C(=O)NOC;SXEQNYJKZGIDTG-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34644;MM34644;CONC(=O)C(N)=O;XUGLNOYFZBOFQQ-UHFFFAOYSA-N;118.09;-1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34645;MM34645;C#CC(C=NN)(CF)OC;IRYJFOQJRMEETQ-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34646;MM34646;C=C(OCC)C(N)=O;OXQUUXVRVJBDMA-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34647;MM34647;CCOC(=O)C(C)=O;XXRCUYVCPSWGCC-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethoxy-2-oxoacetic Acid";MM03222;CCOC(=O)C(=O)O;JRMAQQQTXDJDNC-UHFFFAOYSA-N;118.09;-0.37;74701;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34648;MM34648;C=C(C)C(=C)CC=O;BWBGYHQMMGLIBD-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-methylidene-4-oxopentanal;MM02503;C=C(CC=O)C(C)=O;GAZQPAKOBVLOTO-UHFFFAOYSA-N;112.13;0.72;15826680;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34649;MM34649;C=C(CC#N)C(C)=O;JOTXNMPDVVRFNF-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34650;MM34650;C=C(C=NNC)OCC#N;ODQZSWCLVNJRKS-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34651;MM34651;C#CCOC(=O)N(N)C=C;AAVRHAPMIRYYSH-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34652;MM34652;CNC(C)(C)C(=O)COC;GAQOYJYPBGOFJE-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34653;MM34653;C=CN(C=N)N=CCF;WYLDSRMRFIUWKM-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylidene-4-oxobutanoic Acid";MM03645;C=C(CC=O)C(=O)O;NATITTLIDUCCMB-UHFFFAOYSA-N;114.1;0.22;9877355;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34654;MM34654;C=CCC(=O)C(=C)C;YYJOAWKLZAFVHR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methyl-3-oxopent-4-enal;MM02952;C=C(C)C(=O)CC=O;PNEGCTVOYBXPAN-UHFFFAOYSA-N;112.13;0.72;21915917;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methyl-3-oxopent-4-enenitrile;MM02511;C=C(C)C(=O)CC#N;AAOOBZLVEUAFSH-UHFFFAOYSA-N;109.13;1.05;15011446;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-5-ene-2,3-dione;MM02189;C=CCC(=O)C(C)=O;LBAXHULUQAHTKP-UHFFFAOYSA-N;112.13;0.72;57237965;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,4-dioxopentanal;MM02053;CC(=O)C(=O)CC=O;QGGCMCHYJIPQCE-UHFFFAOYSA-N;114.1;-0.27;45085070;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,4-dioxopentanenitrile;MM02161;CC(=O)C(=O)CC#N;VCGSFLSENQKTMU-UHFFFAOYSA-N;111.1;0.06;14228018;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34655;MM34655;N#CCC(=O)C(N)=O;KRHCRBZKKMPTIH-UHFFFAOYSA-N;112.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34656;MM34656;N#CCC(=O)C(=O)O;IEGMSRWALLTAIV-UHFFFAOYSA-N;113.07;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15643;MM15643;C=C(F)C(=O)CC#N;AUUKPELIRNBZBR-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34657;MM34657;N=C(N)C(=O)NO;GBWCFAXDIDXVCC-UHFFFAOYSA-N;103.08;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34658;MM34658;CCC=CN(N)C(=O)OC;YDINZRFTUSFHCQ-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34659;MM34659;CCC(N=CN(C)N)=NO;AOCLPQPRCMXQQX-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34660;MM34660;C=C(NC=O)C(N)=O;XSHHJYFIUUCGCM-UHFFFAOYSA-N;114.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34661;MM34661;C=C(NC=O)C(=O)O;SOYHRJAFNCCNDP-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34662;MM34662;C=NOC(C#N)C(C)C#N;NJMLLRIJUGZFRU-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34663;MM34663;C=CC(=NC(C)=NO)NN;YBRGFUROPKUPQK-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34664;MM34664;N#CCNC(=N)C(O)C#N;LKNLFDDPNZUYEV-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34665;MM34665;CN(C)C(=NCC#N)NO;CYDASSLTUCLTGH-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34666;MM34666;N=C(NC=O)C(N)=O;OOVNDCPQCMLCJT-UHFFFAOYSA-N;115.09;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34667;MM34667;C=CN=C(N)C(=O)O;ZMOWYLZGDQYYQF-UHFFFAOYSA-N;114.1;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34668;MM34668;CNC(N)=CC(=NO)NC;AJRLJBKSXWRXCQ-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34669;MM34669;C=CC(N)C#CCNN=C;AMALBEWFTPEBRC-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34670;MM34670;C=CNC(=O)C(N)=O;LIVVOSHPRDIGFA-UHFFFAOYSA-N;114.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34671;MM34671;N=CNC(=O)C(N)=O;ODGTYKJYYXAMNA-UHFFFAOYSA-N;115.09;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34672;MM34672;NC(=O)C(=O)NC=O;FNJIAQNTTJCNAT-UHFFFAOYSA-N;116.08;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34673;MM34673;C=CNC(=O)C(=O)O;MECIDVKQACZSND-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34674;MM34674;O=CNC(=O)C(=O)O;YBZDGSOITMGUNZ-UHFFFAOYSA-N;117.06;-1.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34675;MM34675;CNNC(=NO)NCC#N;BVCISOBONGPWSU-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34676;MM34676;C=NN=C(NN)N(C)OC;PEEVNTHQEHEGJZ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34677;MM34677;CN=C(C)N(O)C=NN;XWDCKXQKJAMPOT-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34678;MM34678;C=NNC(=O)C(C)=O;LCCFBNLZFACQDJ-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34679;MM34679;N=CN(O)C(C=CN)=NN;ZNFGQDCONRUKRQ-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34680;MM34680;C=NNC(=O)C(N)=O;RJUGJMGUXARAEO-UHFFFAOYSA-N;115.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34681;MM34681;C=C(OC=O)C(C)=O;FZSLUFDYQSTTSB-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34682;MM34682;CCC(=O)N(CC#N)NC;FQJDHOZSILPWNH-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34683;MM34683;C#CCNN(C=O)C=CF;AAEFOVQGLSHKEF-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34684;MM34684;C=COC(=C)C(N)=O;MPZYYBVSOPVQGY-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34685;MM34685;C=C(OC=O)C(N)=O;BENPMEDRICUCPR-UHFFFAOYSA-N;115.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16333;MM16333;C=C(OC=O)C(=O)O;LICPPHQMDXFZIM-UHFFFAOYSA-N;116.07;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34686;MM34686;C=COC(=O)C(=C)C;FFYWKOUKJFCBAM-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34687;MM34687;C=COC(=O)C(C)=O;HYKDOWFZORNECG-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34688;MM34688;C=COC(=O)C(N)=O;YDNVOILEIYUFTA-UHFFFAOYSA-N;115.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethenoxy-2-oxoacetic Acid";MM03200;C=COC(=O)C(=O)O;JTICYANOTVKIFT-UHFFFAOYSA-N;116.07;-0.24;21742004;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34689;MM34689;C=NN(C=NOC)CC#N;PQZQVTVPQYWKBZ-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34690;MM34690;C=NOC(=O)C(N)=O;XBNROJDGMQZGAN-UHFFFAOYSA-N;116.08;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34691;MM34691;C=NOC(=O)C(=O)O;YGZHKVZMPMOVOW-UHFFFAOYSA-N;117.06;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34692;MM34692;C=NN(C=N)C=NOC=O;BFTZGVRGTLDCMY-UHFFFAOYSA-N;142.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hex-5-yne-2,3-dione;MM02165;C#CCC(=O)C(C)=O;UPTUZTLKUWOBMD-UHFFFAOYSA-N;110.11;0.17;87548140;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34693;MM34693;C#CCC(=O)C(=O)O;FKZZNPFLBHRVGQ-UHFFFAOYSA-N;112.08;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34694;MM34694;CC(F)C(C)C=CF;OGCQFDHGZOJXKB-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34695;MM34695;CON=C(C=CN)C(C)O;BXAOYRSFOLGWHJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34696;MM34696;C=CN(C=O)C(N)=CC#N;GADALUNNMNQZAF-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34697;MM34697;C#CC#CC(=N)N(C)O;GSGYKDCBRRFWHF-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34698;MM34698;CN(C)CC=COC=NO;BWRLTLRBPDQAFP-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34699;MM34699;C#CC(=NNC=N)N(C)O;ZFPVSWOBJRTBLY-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34700;MM34700;CC(O)C(C)C=NO;UFHQDZMPCXVKQD-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34701;MM34701;C=CN(N)C(=O)OC;WYNNPQCCRQIADG-UHFFFAOYSA-N;116.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34702;MM34702;CC(F)C(C)C=NO;HTOQSHODQZUZEL-UHFFFAOYSA-N;119.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34703;MM34703;C=C(CCF)C(CN)=NO;SWZYCVALRIHTCI-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34704;MM34704;NN=CC(O)C(F)F;JCTRBHULRFQWCC-UHFFFAOYSA-N;124.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34705;MM34705;CCC(=NO)C(C)NC;WEIWLBMJHKDHBF-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34706;MM34706;C=CCNC=CC#N;IIGYMWTZQRWVNW-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34707;MM34707;CCCN=CN(O)CC=O;TUMSSXCPAXYKNV-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34708;MM34708;CC(C)=CC(=NN)N(C)O;OGBJEXDVXNGZTN-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34709;MM34709;CN(O)C=NCC#CC=O;WYVHNTHLNIOLAG-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34710;MM34710;C=CCCNCC=NO;LAKUYYFDFTVLGA-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34711;MM34711;CC(C)N(O)C=NO;OFJXIHFMRVUNTK-UHFFFAOYSA-N;118.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34712;MM34712;C=CNC(CF)=NOC;SDVXGGQSFYSOIW-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34713;MM34713;CC(C=CF)C(N)=O;BCHQADFZWNFWPE-UHFFFAOYSA-N;117.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15284;MM15284;CC(C=CF)C(=O)O;SPTKCPXQHDPZTQ-UHFFFAOYSA-N;118.11;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34714;MM34714;CC=CC(O)C(C)=O;SNHRCGORDKLMQV-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34715;MM34715;CC=CC(O)C(N)=O;TURKXRVAOPXTEY-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34716;MM34716;O=C(O)C(O)C=CF;IGBCYRIWMDYENX-UHFFFAOYSA-N;120.08;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02225;MM02225;CC(=O)C(F)C=CF;IOBWUFLOTVIWOG-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34717;MM34717;CC(=O)C(C)C=NO;FPDFZOFJIACGOQ-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34718;MM34718;CC(C=NN)C(=O)O;AOEKOUXZPLHUFS-UHFFFAOYSA-N;116.12;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34719;MM34719;CC(C=NO)C(=O)O;UOZTWPCNGFHNGD-UHFFFAOYSA-N;117.1;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34720;MM34720;CC=NOC(C#N)C(=N)N;IXRXTXGRTNQTPG-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34721;MM34721;C=C(C)C(O)C=NO;GYHUKIPVXVYFEK-UHFFFAOYSA-N;115.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34722;MM34722;CC(=O)C(F)C=NO;IFRRSZRMCYWQTM-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34723;MM34723;NN=CC(F)C(=O)O;QYRGNFDNLLJISO-UHFFFAOYSA-N;120.08;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34724;MM34724;O=C(O)C(F)C=NO;VIYQNBITENNBIO-UHFFFAOYSA-N;121.07;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34725;MM34725;CC=NN(C=O)C(C)C;IJEFBLMTSMSGHJ-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34726;MM34726;CC(=O)N(C)C=CF;FICSZLKXNSFDTP-UHFFFAOYSA-N;117.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34727;MM34727;C=CN(N)C(=O)OCCC;BPLVOQVZNIVNIA-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34728;MM34728;CC=CN(C)C(N)=O;WDKURQQUSOVTLF-UHFFFAOYSA-N;114.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34729;MM34729;CN(C=CF)C(N)=O;LZBMBRZQLSVCDN-UHFFFAOYSA-N;118.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34730;MM34730;C#CC(=NNC)C(=C)C=O;BQXHOAWILNXWML-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34731;MM34731;C=NOC(C#N)ON=CC;JIZYZBIPFWMQAX-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34732;MM34732;C#CC(=O)N(N)C=CF;STCLDTLAVONYSS-UHFFFAOYSA-N;128.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34733;MM34733;C=NOC(C#N)C(=N)N;RUHFSLLYKRGQOI-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34734;MM34734;CCCOC(=NN)NNC;WIWTWIPJQGZKAV-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34735;MM34735;CC(=O)N(O)C=CF;ODSGMGMMDWOVMO-UHFFFAOYSA-N;119.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34736;MM34736;C#CC(=NNCCC)NN;ILVMYJSLLJZCAI-UHFFFAOYSA-N;140.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34737;MM34737;CC=CN(O)C(N)=O;GJIAFCKFPCGOPD-UHFFFAOYSA-N;116.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34738;MM34738;NC(=O)N(O)C=CF;WLMFZOIBDYNROM-UHFFFAOYSA-N;120.08;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34739;MM34739;C=NN(CC)C(=N)C#N;YCONWCSRJKCVSV-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34740;MM34740;COCCNC=CC#N;YQPPXTXWDGAUHW-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34741;MM34741;CC(=NN)N(N)C=CF;PLFWHNTTYJVXNU-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34742;MM34742;NC(=O)N(N)C=NO;MOIJFEXDIXVIBH-UHFFFAOYSA-N;118.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34743;MM34743;NN=CN(O)C(N)=O;UPJYYWDZPHYGHF-UHFFFAOYSA-N;118.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34744;MM34744;NC(=O)N(O)C=NO;KUWZVQAIESYHOI-UHFFFAOYSA-N;119.08;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34745;MM34745;CC(=O)N(N)C=NOC=O;STMVYGGSRYZUBX-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34746;MM34746;CC=NN(C(C)=O)C(C)C;PRLSVUUMOKNOFW-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34747;MM34747;CCNC(=N)N(C=O)C=O;JQLMYDIPOUYICM-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34748;MM34748;CNN=CON=CC=CN;ZODYLNGGEYTPTJ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34749;MM34749;CC(C)C(=O)C=CN;ZFXXRWAMGWMESE-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34750;MM34750;NC=CC(=O)C(F)F;QIONYRYAJKKAPO-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34751;MM34751;C#CC(C=CF)NCC=O;HTZWTXBAAJLVOR-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34752;MM34752;CN=CN=C(C=NN)NC;TYNZKEFFEZCDAP-UHFFFAOYSA-N;141.18;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34753;MM34753;C=C(C=NO)C(C)O;XKNZQZGKQOLJHI-UHFFFAOYSA-N;115.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34754;MM34754;CC(C)C(=O)C=NO;BSUGHLDHXKECIF-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34755;MM34755;O=C(C=NO)C(F)F;ALPLLPAXMLMUJQ-UHFFFAOYSA-N;123.06;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34756;MM34756;N=CN=CN=CN(N)C=O;ODBDPIMHXPHJII-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34757;MM34757;C=CC(=O)N(CC#N)NC;NFZYTSYASZNRLI-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34758;MM34758;CNCC(CC(C)C)=NO;RSTXWTKUEMPWPY-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34759;MM34759;CNC=NC(=NOC)OC;JMEZYPNKVNBYRD-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34760;MM34760;C#CC=CC(=NO)C(=N)N;BMFDTFDALZTXCX-UHFFFAOYSA-N;137.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34761;MM34761;COCC(C#N)=C(N)OC;LXUMGCGMMOUTBJ-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34762;MM34762;C=CNC(=NO)NC=N;SRFCHQMQLYOBCD-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34763;MM34763;C#CC(COC)=NNCC;UASZHMVNTHJMMK-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34764;MM34764;CN(O)C(=O)C=CN;RIJGLETYDKYWTB-UHFFFAOYSA-N;116.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34765;MM34765;CN(O)C(=O)C=CF;TYOMSXXIEYCDFW-UHFFFAOYSA-N;119.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34766;MM34766;C=COC(NC=N)=C(F)F;YGJZVGFZOUGNSX-UHFFFAOYSA-N;148.11;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34767;MM34767;CON=CNCC(C)C#N;OQVPPTPIBFBRHC-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34768;MM34768;CON=CC=C(C#N)C=O;WTGZAGVUOHXFIU-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34769;MM34769;C=C(C)C(=O)C=CN;FAXOFADAHGTJQA-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34770;MM34770;CC(=O)C(=O)C=CN;YVTLWTUSACTNRL-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34771;MM34771;CC(=O)C(=O)C=CF;KJQVUKQCCFYQTJ-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34772;MM34772;C#CC(C#N)=C(N)NCC;YMJMFCLYNLXFTL-UHFFFAOYSA-N;135.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34773;MM34773;CC=CC(=O)C(N)=O;NOJRMGHGGHQSGV-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34774;MM34774;NC=CC(=O)C(=O)O;ZPDNRYYNEJAYLE-UHFFFAOYSA-N;115.09;-0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16245;MM16245;O=C(O)C(=O)C=CF;UEYKQBNAYBMLCB-UHFFFAOYSA-N;118.06;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34775;MM34775;C=C(C=NO)C(C)=O;VENGGPORDIWBKS-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34776;MM34776;C=CC=NOC=O;NZOJANSKSLMAIN-UHFFFAOYSA-N;99.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16521;MM16521;C=C(C=NN)C(=O)O;XDQGIWHAADHYHG-UHFFFAOYSA-N;114.1;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16433;MM16433;C=C(C=NO)C(=O)O;SBMWGUJRQNRBDG-UHFFFAOYSA-N;115.09;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34777;MM34777;CC(=O)C(=O)C=NO;BIQPAWPDXHFPKJ-UHFFFAOYSA-N;115.09;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34778;MM34778;N=C(N)C(=O)C=NO;FWBBXIAZSMGTAM-UHFFFAOYSA-N;115.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34779;MM34779;CCC1(C#N)NC1C;HDJNPAQTXCOSTK-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34780;MM34780;CC(F)C=NN(C)C=N;BZDXFQDRKDSVMX-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34781;MM34781;C#CC(C)(C#N)ON=C;YSISEACSFGOLIT-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34782;MM34782;CC(N=CN(C)N)=NO;APSBRFIOCQCEBP-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34783;MM34783;CC#CC(O)C(C)O;ZIWDSGVMDWLWET-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01682;MM01682;CC#CC(O)C(C)F;HYKHLYQVCPHICY-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34784;MM34784;CC#CC(O)C(C)=O;DTCHFPPUINCOJM-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxypent-3-ynoic Acid";MM03412;CC#CC(O)C(=O)O;LBHFDRNWJLXAID-UHFFFAOYSA-N;114.1;-0.54;55303271;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34785;MM34785;N=CN(C=N)C=NNC=O;XIDHZMHYSLTXNT-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34786;MM34786;CC#CC(F)C(N)=O;NIWIKKMXFUWEGW-UHFFFAOYSA-N;115.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34787;MM34787;CC#CC(=O)C(C)O;PUHPOBZGGYPVMX-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34788;MM34788;C#CC(=NN)C(C)OC;LTJSWBOHARPJPD-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34789;MM34789;CNN=C(COC)COC;XACXSJJHRBLEJW-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34790;MM34790;CC=CNC(=NO)NC=N;QAPFQJMZZOXHTJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34791;MM34791;C#CC(=N)N=CN(N)C=O;IHNUYTAWGONCNV-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34792;MM34792;CC#CC(=O)N(C)O;LNYRMOROUNROKJ-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34793;MM34793;C=C(C)C(=O)C#CC;USNPKDOVKYDNKA-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34794;MM34794;CC#CC(=O)C(C)=O;SDWIGJDORAFEGT-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34795;MM34795;C#CC#CC(=O)N(N)C=C;XSDYZIKHOKJAMT-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34796;MM34796;CC#CC(=O)C(N)=O;HXVYFMMNDNKUOX-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxopent-3-ynoic Acid";MM03177;CC#CC(=O)C(=O)O;HKPXLDLEWBPXFW-UHFFFAOYSA-N;112.08;-0.34;18370507;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34797;MM34797;CC=CCN=CN(N)C=O;MIHDFJYBDKCPNP-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34798;MM34798;CC(O)C(F)=CCF;SEVQAZHBLKREMI-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34799;MM34799;C=NOC(C#N)CCC#N;CEHBPLZYKNCBEW-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34800;MM34800;CCN(C(C)=N)C(=O)C#N;YJXGHLBAHVUSCJ-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34801;MM34801;C#CC(=N)NC(C)=NO;FNGPFGADPKBITR-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34802;MM34802;C#CC(C)(O)CN=CNN;FBRLVKURAGIIAJ-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34803;MM34803;NC(C=CC#CCO)CF;AHZIJVGOKHLRMZ-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34804;MM34804;C=NOC(C#N)OCC;LFRJMULDAJWSST-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34805;MM34805;C=NN(C)C(C#N)=NC;RVFUJCKYFSFLKR-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34806;MM34806;C#CC=C(CN)NC(N)=O;USHPSRQWAFQXOQ-UHFFFAOYSA-N;139.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34807;MM34807;CC(=CC#N)C(C)C;JNOUNLLJKNUPNS-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34808;MM34808;CC(=CC=O)C(C)O;UYWOYCXMTYGYRB-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34809;MM34809;C=NOC(=O)N(C=O)NC;QMLXIUAHBITTOB-UHFFFAOYSA-N;145.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34810;MM34810;CC(O)C(F)=CC#N;HBAFSRZLXWKJSP-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34811;MM34811;COCON=CCCC#N;QICHSCQXCAEMNS-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34812;MM34812;CC=NOCC#N;GYESGZUSCMBSHC-UHFFFAOYSA-N;98.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34813;MM34813;CNN=CC#CCF;JOMLBVJGFLFQQZ-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34814;MM34814;NN=C(CF)CCCF;PKNOQGPQENNWBT-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34815;MM34815;C#CCOCC=NOC;MVGZIPUYLVXOEZ-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34816;MM34816;C=C(C#N)N(C)C(=N)C=O;WLIWHHMWUYEAMZ-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34817;MM34817;CNC(=NCC#N)OC;YOVLUZJZNHLPMB-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34818;MM34818;CC(=NC=O)N(C)O;FLILEYWZECAVAY-UHFFFAOYSA-N;116.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34819;MM34819;CC1CN1CC#N;BESHVWMGGZTLIO-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34820;MM34820;CCNC=CC(=NO)NC;WXHDGAHZLHWGCA-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34821;MM34821;CC#CC=NOC;FFQNVKKIVNAFGC-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34822;MM34822;CC(C)=NOC(C)C#N;KCHVWAAUHZZIMZ-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34823;MM34823;CC(=O)C(F)=CCO;BCNBTSGHESFTCN-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34824;MM34824;C#CC(O)C=NN(C)C=N;NIJXYDAIYWYALK-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34825;MM34825;COCC(=N)N(N)C=O;IVAUVEPXOYFFLB-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-fluoro-4-hydroxybut-2-enoic Acid";MM03354;O=C(O)C(F)=CCO;CAYNHVKVMRLXEZ-UHFFFAOYSA-N;120.08;-0.08;76225901;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34826;MM34826;CNC=C(C)C(C)=O;SISDVTKLAALOJE-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34827;MM34827;CNC=C(F)C(C)=O;ZMCQROYAIISDKP-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34828;MM34828;CNC=C(F)C(N)=O;ZPXKVHBELBTAPN-UHFFFAOYSA-N;118.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34829;MM34829;CNC=C(F)C(=O)O;BSIWDRKRYXVOPI-UHFFFAOYSA-N;119.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34830;MM34830;COC(C)(C)C(N)=CC#N;NUHFUUQRCNBQGM-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34831;MM34831;COC(C)OC(N)=CC#N;ZCEZRYGKVQVCSA-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34832;MM34832;COC=C(F)C(N)=O;BSBCHITZYYSKRY-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34833;MM34833;N#CC(=NNC=N)C(N)=O;KSHVYHVNPHZIMD-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34834;MM34834;C=CN=CNC(C#N)C#N;GHQCMMCSOFLXKD-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34835;MM34835;C#CC=C(CN)NC=O;DYWUFQMKJHSUEI-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34836;MM34836;CC=NN(CC#N)CC#N;ZSSHFFUSLPLAGR-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34837;MM34837;CCC(C)N=CN(N)C=O;WIBRBBFWUYGOCS-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34838;MM34838;C#CC(C)CN(C=O)N=C;ZNNTZHOKCPKXLR-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34839;MM34839;CCN=CNC(C#N)C#N;SLBWLIMGIITJLY-UHFFFAOYSA-N;136.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methyl-4-oxobut-2-enoic Acid";MM03373;CC(=CC=O)C(=O)O;QPFVAKLVWFPTSX-UHFFFAOYSA-N;114.1;0.22;53666073;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34840;MM34840;C=C(C)C(N)=CC=O;PVYONQRWXGBMSG-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34841;MM34841;C#CCNC(=NOC)OC;HXUZNTAYPBONQN-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34842;MM34842;COC(=CC#N)NCCF;MAIGEQXBYXYVMT-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34843;MM34843;C#CC(COCC)=NNC;PWURUCWDQNJEHV-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34844;MM34844;N#CC=C(N)C(N)=O;CZBDFLRCVRITOB-UHFFFAOYSA-N;111.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34845;MM34845;CC(C)N(C=O)C=NC=N;UVZFZHJSKCAGPC-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34846;MM34846;N#CC=C(F)C(N)=O;AYPWHDHREGULMN-UHFFFAOYSA-N;114.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16100;MM16100;N#CC=C(F)C(=O)O;SAJHVDFBCPVJKC-UHFFFAOYSA-N;115.06;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34847;MM34847;C=NN(C)C(=O)N(C)C;KADYKFOTICTJEN-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34848;MM34848;C=NN=C(C)C(N)=O;RWYWQTPQOXQYNH-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34849;MM34849;C=NN=C(C)C(=O)O;WDKGNZJTSJYVBM-UHFFFAOYSA-N;114.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34850;MM34850;C#CCCOC=NN(C)C;XQKKYBQFDWNPSS-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34851;MM34851;C#CC=C(F)C(N)=O;AGXQBLPGFFWPCJ-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34852;MM34852;C#CC=CNC(=N)C(F)F;YAQGMHLWZVEYIQ-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34853;MM34853;CCNN(CC#N)C(C)=O;ALMXEIZMNLZEEM-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34854;MM34854;C=NOC(=NC=O)N(C)C;NUKVTEGBMLVBCH-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34855;MM34855;CCC(=N)N=CN(N)C=O;FBUNEMSCDSVSAT-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34856;MM34856;C#CCOC(C=NN)OC;NWNIPDXNSJYQHU-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34857;MM34857;CC=NOCOC=CC#N;XRJGPHYDVRTBIJ-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34858;MM34858;CC(F)=C(C)CC=O;ILRVHQFJYJHSFT-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34859;MM34859;CC(CC=O)=C(F)F;CWEAWXFQIFTPFZ-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34860;MM34860;CC(C)=C(F)CC=O;LXZRDVHTSDXKHW-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34861;MM34861;CC(C)=C(C)NC=O;HZMIMTVXAZOJFL-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34862;MM34862;CCCN(C=O)N(C)C;DPJHQIMEPVLILO-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34863;MM34863;CC(C)=C(C)OC=O;VEWCMLSMXJXIBO-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34864;MM34864;CC(F)=C(C)OC=O;IVBATEHDSDBECK-UHFFFAOYSA-N;118.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34865;MM34865;CC#CC=C(CN)NC=O;AVJLJWKPNVNLFP-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34866;MM34866;C=NOC(C#N)C(C)F;ZDRKHMPWJNLHPH-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34867;MM34867;COC(CO)=NNC=N;LTSIQLLDEGQUHR-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34868;MM34868;COC(OC)C(C)=NN;KVKKGLXQQCGOTL-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34869;MM34869;CC(N)=C(F)C=NO;HWQCGADNXSSNDK-UHFFFAOYSA-N;118.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34870;MM34870;C=CN(C=O)C=NC=N;XJDPZKSJFITXNN-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34871;MM34871;CN(C=O)NC(C)(C)C=O;VWDNDGASQWFFRH-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34872;MM34872;CC=C(C)N(O)C(=N)NO;GFWGAMAJRPZXRJ-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34873;MM34873;NN=CC(F)(C=NN)CF;VNELSSRAXDPXQK-UHFFFAOYSA-N;150.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34874;MM34874;CC(O)C(C)C(C)O;RBQLGIKHSXQZTB-UHFFFAOYSA-N;118.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-fluoro-3-methylpentan-2-ol;MM01741;CC(O)C(C)C(C)F;UYJNFDNVJFXENL-UHFFFAOYSA-N;120.17;1.36;22000467;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34875;MM34875;C=NOC(=O)C=CN(C)C;LSVXDEVUSFGDEA-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34876;MM34876;C=COCOC(N)=CC#N;PAYBFNNLUNHIKG-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34877;MM34877;C=NOCC(N)=C(F)C#N;ODJXAEFNTOZHEK-UHFFFAOYSA-N;143.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34878;MM34878;C=NN(C=NC=N)CC#N;PVQBGGQKTYHKSZ-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34879;MM34879;C=CC(O)C(N)C#CC;JKDRSIJGTOKLRC-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34880;MM34880;CC(C)C(O)C(C)O;RNKURRDNOYXATR-UHFFFAOYSA-N;118.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34881;MM34881;CC(F)C(O)C(C)F;LTPRZOCHUDXMBH-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34882;MM34882;CCCCN(C=O)N(C)C;OPZKAPQWFDHCJX-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34883;MM34883;C=C(COC)C(C#N)=CN;WLFWYCQYRPFQTR-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34884;MM34884;CC#CC(=N)N(O)C=N;GYQCTAYPCLBJFV-UHFFFAOYSA-N;125.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34885;MM34885;CCN(C=O)N(C)C;HSDMIBFUSKWWKQ-UHFFFAOYSA-N;116.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34886;MM34886;CC(=O)C(C)C(C)C;QXHRQZNDMYRDPA-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34887;MM34887;C=CNC(=O)C(=CC)CN;BXNIVOCCPULVSE-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34888;MM34888;CC(C)=NOCOC=O;GOTHIOSMTAUXOH-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34889;MM34889;CC(=O)C(C)C(C)O;ZXZUCILLTLHIBZ-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15368;MM15368;C=C(F)C(C)C(C)O;KMSVXRZOKUCURX-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34890;MM34890;COCOC(N)=CC#N;RRCIVWSHULQWHE-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34891;MM34891;CC(F)C(C)C(N)=O;OBBBIJFOOLJRDP-UHFFFAOYSA-N;119.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34892;MM34892;C#CC(=NN)C(C)(C)OC;NLMLTXFUEZWSII-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34893;MM34893;C=NOC(CF)=NN(C)C;SFOHZSLGKYMKKE-UHFFFAOYSA-N;147.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34894;MM34894;COCC(C)NC=CC#N;FUIZFDHOEVDLSY-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34895;MM34895;CN(C=N)N=CC(F)CO;ZHVHECPALTXXGS-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34896;MM34896;CN(C(=N)C#N)C(=N)CO;UOCFMLIEAGBWQZ-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34897;MM34897;CCOCOC(N)=CC#N;XRPCOFKNQIPBOR-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34898;MM34898;C#CC(C=O)(OC)ON=C;LEYZOXBDMJZQJW-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34899;MM34899;CC=NOC(C)OCC#N;CYQQLUFIKCOMJS-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34900;MM34900;CC(=O)C(O)C(C)C;IGPIDYBTABPKQT-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-3-methylbutanoic Acid";MM03667;CC(C)C(O)C(=O)O;NGEWQZIDQIYUNV-UHFFFAOYSA-N;118.13;0.09;99823;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34901;MM34901;CC(C)N=C(CO)N(C)N;JJVLTQHCBXZATR-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34902;MM34902;C=CC=C(C=O)N(O)C=N;WGJXXVXQYWVPAD-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34903;MM34903;CC(=O)C(O)C(C)F;OLQBJBPMZAJDHW-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34904;MM34904;COC=NN(C)CCOC;FDBVEXQKJDVKAX-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34905;MM34905;C#CC(=O)N(N)C=CCF;JVYJIMDYGFKOHC-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34906;MM34906;C#CC(=O)N(N)C=CC=C;YFCIFBUDBORWGQ-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34907;MM34907;C=CC(=NC)N(O)CC#N;COSIFUPICHNKMJ-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34908;MM34908;CN(C=O)NCC=CC#N;XMTJBQAPWRNKHB-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34909;MM34909;C=CCCN=CN(N)C=O;QCFGWYIWDFEIFV-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34910;MM34910;CC(O)C=NN=CC(=N)N;ZNYALMJDCUPSFC-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34911;MM34911;C#CC(=O)N(C=NC)CC;XVBTUQNJSMPJJG-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34912;MM34912;CC=NOC(=NOC)NC;WSZLBOFXNUPFDL-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34913;MM34913;CC(C(C#N)C=O)N(C)C;ITAODTQXDDHSPW-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34914;MM34914;CNN=CNO;FMKJJWBUMOBWMU-UHFFFAOYSA-N;89.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34915;MM34915;CC(=O)N(O)C(C)C;ILQHSUSWZJSHBZ-UHFFFAOYSA-N;117.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34916;MM34916;CC(C)N(O)C(N)=O;VTYJUJKEXWILPD-UHFFFAOYSA-N;118.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34917;MM34917;CC#CC=CN(C=N)C=O;OKQSZYTTYCNHER-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34918;MM34918;C=C(C)C(C)C(C)=O;OMLNXIAGTIURON-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34919;MM34919;C=NOC(C)(C#N)C=O;DAFWFBWWBXEQGK-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-dimethylbut-3-enoic Acid";MM01608;C=C(C)C(C)C(=O)O;DWSGWSOLRBKJSR-UHFFFAOYSA-N;114.14;1.28;11018832;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-methylpentane-2,4-dione;MM02357;CC(=O)C(C)C(C)=O;GSOHKPVFCOWKPU-UHFFFAOYSA-N;114.14;0.8;69949;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34920;MM34920;N=C(NO)C(CO)=C(N)N;GWSDFCJXLIOVRB-UHFFFAOYSA-N;146.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34921;MM34921;CC(=O)C(C)C(N)=O;NNMCCROSULUKTR-UHFFFAOYSA-N;115.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34922;MM34922;C#CC(=O)N(N)C=CC;NJRYHEYDTPUPBL-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34923;MM34923;C=C(F)C(C)C(N)=O;GCKOORFNCNDFKF-UHFFFAOYSA-N;117.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34924;MM34924;C=CN(N)C(=O)C#CC;DBVUEYCCLNZEGP-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34925;MM34925;C=C(C)C(O)C(C)=O;DFAUZBMKQDUSPZ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34926;MM34926;C=C(C)C(O)C(N)=O;ABALOVTXJRGWKM-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34927;MM34927;C=C(F)C(O)C(C)=O;WSUQOGGXHIFIHW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15292;MM15292;C=C(C)C(F)C(C)=O;JGAFXDNUEUHMAD-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34928;MM34928;C=C(C)C(F)C(N)=O;RUGQSLFSFZTYSW-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16445;MM16445;C=C(C)C(F)C(=O)O;AMCUMFLVZZKKIJ-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34929;MM34929;CC#CC(N)CO;HIUWIRZXEIEAJB-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34930;MM34930;C#CC(C#N)(C=O)NC;CQHGLUGMAJLDAD-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34931;MM34931;C=C(C)N(C)C(C)=O;BTOLKYABKKUYSM-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34932;MM34932;C=C(C)N(C)C(N)=O;CIXCOUTWOVJTRK-UHFFFAOYSA-N;114.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34933;MM34933;C#CC(COCC)=NN;CSDARCOUTPCCTP-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34934;MM34934;C#CC=CN(C=N)C=O;JIUBBTHMACWSHZ-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34935;MM34935;COC(=NN)NN=CNN;SGEMFGOHPBBFDN-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34936;MM34936;COCC(=NNC=N)OC;XIUFIAWOPXTYQR-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34937;MM34937;CC#CC(=N)NC(=N)NO;KBASVZYXTRGIOI-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34938;MM34938;CN(C)C(C#N)=NNC=N;FNNWRNDDSWIJIV-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34939;MM34939;CN(C(N)=O)C(N)=O;BTUIPMFAUUCTCW-UHFFFAOYSA-N;117.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34940;MM34940;CC=NOC=NOCC;JOVDFZSFCHZDAG-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34941;MM34941;C=NN(C=O)CC(C)OC;IGJNZLRLPCMKHC-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34942;MM34942;C=CC(=NNC=N)OC;WAUSVFBCTIBNMX-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34943;MM34943;C=CNC(=NNCC)OC;BLQCIGYFFHOQID-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34944;MM34944;CC(CO)N=CN(C)N;ZHUAOZDMMGSFKS-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34945;MM34945;C=C(C)N(O)C(C)=O;INEOYCAUXXZIEJ-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34946;MM34946;CNNC(=NN)OC(C)C;SXHOVCUISVVCCT-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34947;MM34947;C=C(C)N(O)C(N)=O;NPPZCUOQHXYUGT-UHFFFAOYSA-N;116.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34948;MM34948;N=C(N)C=NN=CCO;VTACYBWIVYUUTE-UHFFFAOYSA-N;128.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34949;MM34949;CC(=N)N(O)C(N)=O;PVNRUHWQSRSPRY-UHFFFAOYSA-N;117.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34950;MM34950;C#CC(C)(N)C(=C)C(C)O;NUSPEGMXOYYPQL-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34951;MM34951;NC(=O)N(O)C(N)=O;FXDMZWYIKZFMJH-UHFFFAOYSA-N;119.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34952;MM34952;C#CC(=O)N(N)C=CCC;RFCBJUOKYRMSJQ-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34953;MM34953;CC=CNC(=NN)OC;ISBVXGTUCBECIY-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34954;MM34954;C#CCCN=CN(C)C=O;XNAZNUKUGQJLCW-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34955;MM34955;C=C(C(C)O)C(C)O;GSTHQNTUGGGKIR-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34956;MM34956;C=C(C(C)F)C(C)F;AYNUAZGYVGVLLN-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34957;MM34957;CC(C)C(=O)C(C)O;JZFRZJUXMOAVFU-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34958;MM34958;CC(O)C(=O)C(C)F;XMUMHWYNAWNWBP-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34959;MM34959;C#CCC(=NC)N(N)C=O;BFCWMOAULHKKKY-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34960;MM34960;C#CC(=NC=O)N(C)N=C;DNSWAJQCDNJSBV-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34961;MM34961;NN=CC=NN=CC=NN;JTBUHRMYEFYHRZ-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34962;MM34962;C=C(CC(=N)N(C)O)OC;OCGTUXIUVCADPP-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34963;MM34963;C=NOC(C#N)COC=O;HZIMHTPWXGGVEP-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34964;MM34964;N#CC=C(N)C(=O)C(=N)N;NODNPSJUTNKCGT-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34965;MM34965;C=NOCC(C#N)=CC#N;QEIPDWOMJXBILV-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34966;MM34966;C#CC(C=NNC)=CC#N;BYCAXUOMFBHDBN-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34967;MM34967;C=NOCC#N;CUIKLDHOLJRUIL-UHFFFAOYSA-N;84.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34968;MM34968;CC(C)C(=O)N(C)O;MDGPDDSQOIPUFQ-UHFFFAOYSA-N;117.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34969;MM34969;CC(O)C(C)NCCF;XPARUKRCTZDGHV-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34970;MM34970;CC(O)C(=O)N(C)O;IVMZYPSXBVMPNF-UHFFFAOYSA-N;119.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34971;MM34971;CN(C)C(=O)C(F)F;IUEWOPMXNADAEB-UHFFFAOYSA-N;123.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34972;MM34972;COC(C)=NN(C)C;FGCWVLMGYCJTFG-UHFFFAOYSA-N;116.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34973;MM34973;COCC(C)=NOC;LWQZYCKEPAFKJX-UHFFFAOYSA-N;117.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34974;MM34974;C#CC(N)C(C)(C=C)CO;ZPXQKAOZAYIBTA-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34975;MM34975;C#CC(=O)N(N)C=C;WTVLBESTBFPXQH-UHFFFAOYSA-N;110.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34976;MM34976;CON=C(C=CN)C=NN;CAYRAHWSMKXLSQ-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34977;MM34977;C=NOCOCC#N;VALJDLFEBWHLES-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34978;MM34978;C=NOC=NOCOC;NJNYWICKIMMXJW-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34979;MM34979;CN(C)C(=O)N(C)O;RMOLOQZCVNWKOB-UHFFFAOYSA-N;118.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34980;MM34980;CN(C)C(=O)C#CC=NN;SSVMZYDDPIMZSB-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34981;MM34981;CN(N)C(=O)N(C)O;OJEJKWSJABOEAH-UHFFFAOYSA-N;119.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34982;MM34982;CN(O)C(=O)N(C)O;YORGLSZZMFADAJ-UHFFFAOYSA-N;120.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34983;MM34983;C=C(C(N)=O)C(C)O;GNMWONSQNSTEKE-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-hydroxy-2-methylidenebutanoic Acid";MM03715;C=C(C(=O)O)C(C)O;DDQIGAOHYCZMEQ-UHFFFAOYSA-N;116.12;0.01;15082518;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34984;MM34984;CN(C=N)N=CC=NN;BRQUSMNTALYJDJ-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34985;MM34985;CC(=O)C(=O)C(C)C;JENYBWHRLYZSSZ-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34986;MM34986;C#CCN=C(C)N(N)C=O;XWRIRGGYTHLHLR-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34987;MM34987;CC(C)C(=O)C(N)=O;ATCQSJIHOPTFDG-UHFFFAOYSA-N;115.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methyl-2-oxobutanoic Acid";MM03440;CC(C)C(=O)C(=O)O;QHKABHOOEWYVLI-UHFFFAOYSA-N;116.12;0.3;49;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34988;MM34988;C=C(C)C(=O)C(C)O;DWOXRKZRGSFQNR-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34989;MM34989;C=C(F)C(=O)C(C)O;RTJMBBOHTBUJSK-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15554;MM15554;CC(=O)C(=O)C(C)F;NBNVXNSBMYRIPC-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34990;MM34990;CC=NOC(CC#N)OC;IUKMMOHNTZTYKU-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34991;MM34991;C=CCN(C=NOC)OC;IDYKPEMDLUWLCA-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34992;MM34992;CC#CC(C#N)=NNC=N;VWZWOTRGKXVKBW-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34993;MM34993;CCCN(C=O)C=NCC;DYQNOZCKKFXGOL-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34994;MM34994;C=NN(C=NC)C=NC=O;FRUILTCCJYABAM-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34995;MM34995;C#CC(C#N)=NNC=N;KRFTWOUESZJTNF-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34996;MM34996;CN(N)C(=N)C(=O)O;AIDNVPRXTFUTHN-UHFFFAOYSA-N;117.11;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34997;MM34997;C=COCC(C#N)=C(C)N;IIRIDVKCPGRQQD-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34998;MM34998;CC(O)CNC(C)CF;DYWCLIVROQKMRY-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM34999;MM34999;CON=C(C=CN)N(C)N;HVERDYMENGVHMW-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35000;MM35000;N#CC(C=COC=O)=CN;PSWXZSDINIVWST-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35001;MM35001;CCN(C)N=C(C)OC;JBDSPOMHPUQXFW-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35002;MM35002;CN(C)C(=O)C(N)=O;ZWGBGUVGGJJWMF-UHFFFAOYSA-N;116.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35003;MM35003;CN(C)C(=O)C(=O)O;YKFGLGXRUVEMNF-UHFFFAOYSA-N;117.1;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35004;MM35004;C=C(C)N(N)C(=O)OC;GWVBROWCYPAAPM-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35005;MM35005;COCC(C#N)=C(C)N;AEKMKGFQKVZYRA-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35006;MM35006;CNC(=NC=O)N(N)C=N;LBEFRABUNALZKV-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35007;MM35007;CN(N)C(=O)C(=O)O;DNPYKDGDQYYBFV-UHFFFAOYSA-N;118.09;-1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35008;MM35008;COC=CC(C#N)=CN;HNEIFUDFEHLDQH-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35009;MM35009;C=C(C)C(=O)N(C)O;VFQNOJLZSLCZTG-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35010;MM35010;CN(O)C(=O)C(=N)N;XYOSYKLRYYDIQK-UHFFFAOYSA-N;117.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35011;MM35011;CN(O)C(=O)C(N)=O;FUIAHCNNHJUCJX-UHFFFAOYSA-N;118.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35012;MM35012;CN(O)C(=O)C(=O)O;GYDCOCGRQSVICW-UHFFFAOYSA-N;119.08;-1.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35013;MM35013;C=C(F)C(=O)N(C)O;MLSFRJGLKUFTKB-UHFFFAOYSA-N;119.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35014;MM35014;C=C(C)C(=C)C(C)=O;SFXKTRYOHOWOJJ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35015;MM35015;C=C(C(C)=O)C(C)=O;FIYWIVPXKZJLEZ-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylidene-3-oxobutanoic Acid";MM03566;C=C(C(C)=O)C(=O)O;JFIQGQGIOLZAMZ-UHFFFAOYSA-N;114.1;0.22;21158496;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35016;MM35016;CC=NN=CON=CC;XWFCXJYFQPJAHF-UHFFFAOYSA-N;127.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35017;MM35017;C=CNC=NC(C#N)=NC;JUVSJRIHDHTKJH-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35018;MM35018;C=NOC=NN=COC;BXSNOORXYVTNSE-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35019;MM35019;C=C(C(N)=O)C(N)=O;STKHZJJLEILSKI-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35020;MM35020;C=C(C)C(=O)C(C)=O;DSHMLMCMEVPPKH-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methyl-2-oxobut-3-enoic Acid";MM03398;C=C(C)C(=O)C(=O)O;AACXECFYIAGNKJ-UHFFFAOYSA-N;114.1;0.22;15293072;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15553;MM15553;C=C(F)C(=O)C(C)=O;LMYYZTKJDDDNFA-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35021;MM35021;CCC(CF)NCCO;PFQRHPRBVOMOHH-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16221;MM16221;C=C(F)C(=O)C(=O)O;UCNGQSCXPFLKDH-UHFFFAOYSA-N;118.06;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35022;MM35022;C=NOC(C)(C#N)ON=C;MSKNLLOEOYTNPX-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15360;MM15360;CC(F)=C(C)C(C)O;SNOHIMZYLRXZDA-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35023;MM35023;CC(C)=C(C)C(F)F;ASALGERIYAJZRJ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35024;MM35024;CC(C)=NOC(=O)N(C)N;OQLXELTZZQPWAP-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35025;MM35025;CC(=O)C(C)=C(C)C;IZHBYIAZXCYIMS-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35026;MM35026;CC(=O)C(C)=C(C)N;RNPWMFDBIICHCI-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35027;MM35027;CC(=O)C(C)=C(C)F;FKUTYBAZPJTTTQ-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35028;MM35028;C=CCC(=O)N(C)N(C)C;ZGPDDTZFFUTNLB-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35029;MM35029;C#CC(N=CN(C)N)=NO;UKXDHGRFMKQAAL-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35030;MM35030;CCC#CC(=N)NC=NO;GJODOPJTHHNLPF-UHFFFAOYSA-N;139.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35031;MM35031;CC(F)=C(C)C(N)=O;LXTIBZBVGHKCKV-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-dimethylbut-2-enoic Acid";MM01607;CC(C)=C(C)C(=O)O;UAXOELSVPTZZQG-UHFFFAOYSA-N;114.14;1.43;535246;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35032;MM35032;CC(N)=C(C)C(=O)O;HRMGWGRHXGTQLO-UHFFFAOYSA-N;115.13;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-fluoro-2-methylbut-2-enoic Acid";MM03618;CC(F)=C(C)C(=O)O;LVPPTJJGZMPINC-UHFFFAOYSA-N;118.11;1.33;123577485;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35033;MM35033;CC(=O)C(F)=C(C)C;DDMOEMJTHSMFJK-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35034;MM35034;CC(=O)C(F)=C(C)N;JICSGTKKQQEBLF-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35035;MM35035;CC(=O)C(F)=C(N)N;OQYNKXQWJWWMOP-UHFFFAOYSA-N;118.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35036;MM35036;C#CCN(C(C)=O)N(C)C;BMBYEZUYEAJLIT-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35037;MM35037;CC(C)CC(=N)NC(N)=O;CLCVABNYZZNIPU-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35038;MM35038;C=CC(=C)N(N)C(=O)OC;LVDWPWFEDCWVNI-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35039;MM35039;CC(N)=C(F)C(N)=O;HBMBAMAZHJCFDW-UHFFFAOYSA-N;118.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35040;MM35040;NC(=O)C(F)=C(N)N;HBPRUXIOADMBCP-UHFFFAOYSA-N;119.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35041;MM35041;NC(=O)C(F)=C(F)F;ITDJJTQUIGHTSE-UHFFFAOYSA-N;125.05;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35042;MM35042;C#CC(C)ON=CON=C;NZJOREBABAFKRO-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35043;MM35043;C=NOCOC=C(F)C=O;LXZXXEKUCNQMNS-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35044;MM35044;N=C(N)C=NN=CCCO;PHYXFKDULCHYBQ-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35045;MM35045;C=C(C)C1(O)CC1O;HPFHYGXZYFWIEU-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35046;MM35046;Cc1ccoc(=O)c1;FINYGTPXELVTLO-UHFFFAOYSA-N;110.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35047;MM35047;Nc1ccoc(=O)c1;PNSWCGJBKBVVSW-UHFFFAOYSA-N;111.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35048;MM35048;O=c1ccoc(O)c1;WTLPSDOYWLDZSL-UHFFFAOYSA-N;112.08;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35049;MM35049;COCC(C=NOC)OC;CAEAVKSWJHUUAW-UHFFFAOYSA-N;147.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35050;MM35050;C#CC(C)N(C=O)N(C)C;NNDPTZVTYPPUHJ-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35051;MM35051;Cn1oc(=O)oc1=O;UAOYSPDHMURTAU-UHFFFAOYSA-N;117.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35052;MM35052;C=c1oc(=O)oc1=C;YJPJOELHSKMFPG-UHFFFAOYSA-N;112.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35053;MM35053;Cc1oc(=O)oc1C;QYIOFABFKUOIBV-UHFFFAOYSA-N;114.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35054;MM35054;Cc1oc(=O)oc1N;ULVAFTSBGFLYID-UHFFFAOYSA-N;115.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35055;MM35055;Cc1oc(=O)oc1O;JGXMVHSZGHQOGH-UHFFFAOYSA-N;116.07;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35056;MM35056;Cc1oc(=O)oc1F;RXUWGACMGKVJCB-UHFFFAOYSA-N;118.06;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35057;MM35057;Nc1oc(=O)oc1N;CWUOUAJXOHNNIO-UHFFFAOYSA-N;116.08;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35058;MM35058;CCC(C)(CC)CC;GIEZWIDCIFCQPS-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35059;MM35059;COCC(COC)=NN;IHFFLWIRIRKPJV-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35060;MM35060;CNC(=NO)NNCC#N;GCQADZKRZMLJDR-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35061;MM35061;C#CC(=CF)N(N)C=O;FFVJKQNZSFVVFS-UHFFFAOYSA-N;128.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35062;MM35062;COCC=CC(N)=CC#N;PWORCUCOHMDXAG-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35063;MM35063;CCC(C)(CO)CO;VNAWKNVDKFZFSU-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35064;MM35064;C=CNC(=NOC)OC=O;GYLUGJUDWBYWFO-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35065;MM35065;CC=NN=C(NN)NO;QQKFAMHKHSTROK-UHFFFAOYSA-N;131.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35066;MM35066;CCCN(C=NC)C(C)=O;FHCWJZQXIOOAQA-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35067;MM35067;C=NN(C)C(C)(C#N)C#N;RJQFDJRHSLXOBU-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35068;MM35068;CC(CO)(CO)CO;QXJQHYBHAIHNGG-UHFFFAOYSA-N;120.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35069;MM35069;C=NN(C)C=NC(=N)C#N;KDBHIHUDAIVPGW-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35070;MM35070;CC=NOCOC(C)C#N;NNGOYLHWMYBQPO-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35071;MM35071;COC(=NNC=N)C(C)O;KEZYYZBQCUXYKA-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35072;MM35072;C=CC(=C)N(C=N)C(C)=O;MAUYNBMQQZQZAA-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35073;MM35073;C#CC(C)(C)C(=O)CNC;VWMCMEMSFQNVKB-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35074;MM35074;C=CN(C(C)=N)C(=O)C=O;GYGXLOFTWLSUDH-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35075;MM35075;N=CNOC=NNC(=N)N;LAGRWIVEBVFTKY-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35076;MM35076;CCON=C(NN)NC=N;BDMKXLYKPZDKJV-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35077;MM35077;C=COC(CO)=NNC=N;RPHLCVGJUOSRPX-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35078;MM35078;CCC(O)(CC)CO;RMEZNLDVMHNLHR-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35079;MM35079;CCC(O)(CO)CO;PDAZMXUHGPNZOU-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35080;MM35080;OCC(O)(CO)CO;HXYJZJOQRLOUPP-UHFFFAOYSA-N;122.12;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35081;MM35081;CCC(F)(CC)CC;GRTLXIVYGJAJDW-UHFFFAOYSA-N;118.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35082;MM35082;CN(C)N(C=O)CC=CF;NTFKOHCMWDCPGN-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35083;MM35083;COCCC=NOCC#N;ZXSKESZLWGSPJQ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35084;MM35084;CCC(F)(CO)CO;CVFYBZJIYVBSIW-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35085;MM35085;CC(F)(F)CNCC#N;ARPJJZYXAXOQIC-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35086;MM35086;OCC(F)(CO)CO;HXARUEMYQOMCOF-UHFFFAOYSA-N;124.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35087;MM35087;C#CC=NOC(C)COC;HZMPJKQQNIGIQH-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35088;MM35088;COC(C#N)=C(N)N(C)C;NXMQZXLQUSUGOO-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35089;MM35089;C=NOC(COC)=NOC;OMTKODPNPGQCRO-UHFFFAOYSA-N;146.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35090;MM35090;C#CC(C#C)(C=O)ON=C;YVBBTJNVHPLVLS-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35091;MM35091;CCC#CC(=N)N(O)C=N;STVMGKMQHXYRQU-UHFFFAOYSA-N;139.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35092;MM35092;C=C(C#N)C(C#N)NCC;TVFSZYJFXKGXLD-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35093;MM35093;CN=C(CC#N)N(O)C=N;ASVZHXOOZUMDHO-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35094;MM35094;C=NN(C)C=O;ARGTUAGXVSEKPP-UHFFFAOYSA-N;86.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35095;MM35095;CCC(C)(CC)OC;KRISPYQCCVEVFA-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35096;MM35096;CCC(C)(CO)OC;VCCCOJNCORYLID-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35097;MM35097;COC(C)(CO)CO;RCMXJUQPKJCZFH-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35098;MM35098;COC(C)(CO)CF;KXUBBRPBGLFKHE-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35099;MM35099;CCC(C)(OC)OC;OXQHJIGWZNIQDS-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35100;MM35100;N=CN=CN(N)C=O;BVASTIGBORLLCX-UHFFFAOYSA-N;114.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35101;MM35101;COC(C)(CO)OC;IOOUWNQSMXVTRP-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35102;MM35102;C=CC(C)(CC)CC;PHHHEKOJKDYRIN-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35103;MM35103;CCC(C)(C=O)CC;BFKSYXOOFDWKFF-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35104;MM35104;CCC(C)(C#N)CC;SVVQGVDNIZXKCN-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35105;MM35105;C=CC=NN(C)C=O;KLXOQADZLHQTCZ-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35106;MM35106;CCC(C)(C=O)CO;UCEILBKMJKUVFS-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35107;MM35107;CCC(C)(C#N)CO;GWMVWTLHAJTEKI-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35108;MM35108;CC=NOC(=O)N(C)N;XYMCYTWZHHXTFM-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35109;MM35109;NN=CC#CCOC=O;UUAQGXVWLBTBOK-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35110;MM35110;CC(C#N)(CO)CO;COGPBRRHEPSKTH-UHFFFAOYSA-N;115.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35111;MM35111;C#CCN(N)C(=O)ON=C;YYPYKFHXJBRMJT-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35112;MM35112;C=C(C#N)CNC(C)C#N;BPNOOMYVEFOCKV-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35113;MM35113;C=C(C)N(O)C=NCC=O;NIZGLISJUDPGOT-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35114;MM35114;CON=C(NN)NC=N;UYRWBGKTKGOWGM-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35115;MM35115;C#CC(=O)N(N)C(=C)CF;ZCNOWPCIESOSNW-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35116;MM35116;CCC(O)(C=O)CC;OWJBUOUIJMHBKY-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35117;MM35117;CCC(O)(C#N)CC;QWJRZIUNOYNJIQ-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35118;MM35118;C#CC(COC)N(O)C=N;UECDSLYXTMNNNH-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35119;MM35119;CCC(O)(C#N)CO;IQWFBBSPUCJTGV-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35120;MM35120;CCC(O)(C=O)CF;CPYPRANFFQIXOJ-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35121;MM35121;C=CC(=NC=N)N(C)O;BFOSKDZXECBQIQ-UHFFFAOYSA-N;127.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35122;MM35122;C=CC(O)(CO)CO;ZBAKYSJWSSHGMG-UHFFFAOYSA-N;118.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35123;MM35123;O=CC(O)(CO)CO;OUEKYUKJSLEOIU-UHFFFAOYSA-N;120.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35124;MM35124;N#CC(O)(CO)CO;ASEFMDUYXPXIPT-UHFFFAOYSA-N;117.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35125;MM35125;N#CC(O)(CF)CF;RKIFBAGPQRBVFB-UHFFFAOYSA-N;121.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35126;MM35126;C=CC(F)(CC)CC;WADMEQNHDTXUSI-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35127;MM35127;CCC(F)(C=O)CO;WGZISACWYIFIKN-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35128;MM35128;CCC(F)(C#N)CO;OOGZHFWISIWDLN-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35129;MM35129;C=CC(F)(CO)CO;AFOPUDKKNUKBGZ-UHFFFAOYSA-N;120.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35130;MM35130;O=CC(F)(CO)CO;QGTDNVIEMTXEQX-UHFFFAOYSA-N;122.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35131;MM35131;N#CC(F)(CO)CO;XVCJPTUVLSFEGU-UHFFFAOYSA-N;119.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35132;MM35132;O=CC(F)(CO)CF;RVLUMVXRIDJUDZ-UHFFFAOYSA-N;124.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35133;MM35133;N#CC(F)(CO)CF;XJZRMEPJMSUTAR-UHFFFAOYSA-N;121.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35134;MM35134;C=NN=CC(=O)N(N)C=N;NKVAWSYJSJUKMC-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35135;MM35135;C#CC(=COC)N(N)C=O;OSGLTGXTYMJFPX-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35136;MM35136;C=NN=CCN(C=N)C=O;LYJZQUDOSSQYPM-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35137;MM35137;CN(CC#N)N(C=N)C=O;RJJICNBCCFWYHO-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35138;MM35138;N=C(C#CC(F)CF)NN;WBOFNPWYINFDIN-UHFFFAOYSA-N;147.13;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35139;MM35139;CC(C)=C(CN)C(N)=O;CEZHNHCPZHYCQF-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35140;MM35140;CN(C)CC(F)(F)F;PVSHBYHMVOHXIM-UHFFFAOYSA-N;127.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35141;MM35141;C=NN(C)CC#CC#N;RMNIMTQEBVYCQH-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35142;MM35142;C=CC(C)(CC)OC;ZOECPUYYGPRQJH-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35143;MM35143;CCC(C)(C=O)OC;HDRQZRAXJBWYDE-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35144;MM35144;C=CC(C)(CO)OC;MPRGYBHBLONXQT-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35145;MM35145;COC(C)(C#N)CO;GSWWJNVDXWACCJ-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35146;MM35146;COC(C)(C=O)CF;RSLVGPASJYCSEE-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35147;MM35147;COC(C)(C#N)CF;ZDWHVLKGRCBTKK-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35148;MM35148;COC(C)(C=O)OC;DWJDEJZHYRTMRR-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35149;MM35149;COC(C)(C#N)OC;QDSMOWYMYIABBZ-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35150;MM35150;C#CC(C)(CC)CC;OVNWORSPZLORHV-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35151;MM35151;N#CC=C(N)C=CCC#N;KWRVRTYLKCQIFX-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35152;MM35152;CCCN=CN(N)C(C)=O;KYZSLMQPRNLPLY-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35153;MM35153;COC(=O)CC(C#N)=CN;ALRZFFYACQDQKW-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35154;MM35154;C#CC(C)(CO)CO;YQBHHXVFAIQEFA-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35155;MM35155;C#CC(C)(CO)CF;OBURQSBQLXVUDM-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35156;MM35156;C#CCC(=O)N(C)C=NC;ZFYUVHVDWGHJCP-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35157;MM35157;C#CC#CC(=C)N(N)C=O;IRHSRWDNFWZPLH-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35158;MM35158;C#CC(=O)OCC=NNC;UZSQSUKUAUYNCE-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35159;MM35159;CCOC(OC)C(C)=NN;HADYEYLODFOTTP-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35160;MM35160;C#CC(O)(CC)CC;PUNRPAWKFTXZIW-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35161;MM35161;C#CC(O)(CC)CO;ZXFOHAJKDOBUPH-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35162;MM35162;C#CC(O)(CC)CF;FTASQAQLAXJANI-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35163;MM35163;CC(N=CNO)C(=O)C#N;TXZBYNMFQYPCGQ-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35164;MM35164;C#CC(O)(CO)CO;GRMKBKTVVCARJI-UHFFFAOYSA-N;116.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35165;MM35165;C#CC(O)(CF)CF;IGXNOZPWNAUJHL-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35166;MM35166;C#CC(F)(CC)CC;OOAQWEUVUQLSFZ-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35167;MM35167;CC=NOCOCCC#N;SFJABNNIVNTPTP-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35168;MM35168;C#CC(F)(CO)CO;FKUSGIDQBWTUQD-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35169;MM35169;NN=CC#CC=COC=O;UDDBJUIVXBKWKO-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35170;MM35170;C=NOC=NOC;WWTALZNHNGOVCR-UHFFFAOYSA-N;102.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35171;MM35171;CC(C)N=CN(C)C=O;OMVZUKKRBKXZAI-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35172;MM35172;C#CC(C)(CC)OC;ADNAPRCXSGMYRO-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35173;MM35173;CN=CN(C=O)C(C)C;QOYWQCKJHPOHDR-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35174;MM35174;C#CC(C)(CO)OC;WXCQGOMSCKPAIB-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35175;MM35175;C#CC(C)(OC)OC;CDLTVQIUIXIHIC-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35176;MM35176;C=CC(C)(C=C)CC;SYCIJOVYLBBJOU-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35177;MM35177;C=CC(C)(C=O)CC;PQVUWKOUWVGCFT-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35178;MM35178;C=CC(C)(C#N)CC;XVUFYULVXPVXNN-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35179;MM35179;CCC(C)(C#N)C=O;VPGCJLNACBTONL-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35180;MM35180;CCC(C)(C#N)C#N;YEQVDFTZCURODM-UHFFFAOYSA-N;108.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35181;MM35181;CCN=CN(C=O)CC;XEZBQQFLUHZZQS-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35182;MM35182;C=NOC(C)=NNC=N;ADRRVONCCZNWFC-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35183;MM35183;C=CC(C)(C=O)CO;VUVYFJDXFUVKDG-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35184;MM35184;C=CC(C)(C#N)CO;YCAMLAGJSJSDAA-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35185;MM35185;CC(C=O)(C=O)CO;IUBIUWFFHGRHOW-UHFFFAOYSA-N;116.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35186;MM35186;CC(C#N)(C=O)CO;YUGNTFYNONZXFL-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35187;MM35187;CC(C#N)(C#N)CO;NUSDCVWOEWLBRS-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35188;MM35188;CC(C#N)(C=O)CF;QIBRWKXDFMJQGV-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35189;MM35189;CC(C#N)(C#N)CF;SGAWBGSWRNEXOG-UHFFFAOYSA-N;112.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35190;MM35190;COCOCC=NOC;RJZBFBZIVUSBHH-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35191;MM35191;CN=C(C)N=CN(C)C=O;IYTHCYCYYDXJPN-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35192;MM35192;C=CC(O)(C=O)CC;YKBBHXOYJMESQH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35193;MM35193;C=CC(O)(C#N)CC;GSDIOSBGICWVMF-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35194;MM35194;CCC(O)(C#N)C=O;DIZQWFNHGRWBQJ-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35195;MM35195;CCC(O)(C#N)C#N;WJQMNDJZFOSZDP-UHFFFAOYSA-N;110.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35196;MM35196;CC=NOC(C)=NNC=N;KTTXAXHRTYDLFF-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35197;MM35197;C=CC(O)(C=C)CO;GODIELXPMISCGA-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35198;MM35198;C=CC(O)(C=O)CO;AGPFFPHUDWUMMW-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35199;MM35199;C=CC(O)(C#N)CO;SYAWNMGPLGDWCF-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35200;MM35200;O=CC(O)(C=O)CO;PSJCBYWZRIGSMR-UHFFFAOYSA-N;118.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35201;MM35201;N#CC(O)(C=O)CO;MNURHGAITHVDSN-UHFFFAOYSA-N;115.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35202;MM35202;N#CC(O)(C#N)CO;MFRYGDBPUQMLHS-UHFFFAOYSA-N;112.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35203;MM35203;N#CC(O)(C=O)CF;GRVXJCCDIFZUCI-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35204;MM35204;C=CC(F)(C=C)CC;KOLJCDVPLRGYMU-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35205;MM35205;CCC(F)(C#N)C#N;BQBOHWPDVAQGKS-UHFFFAOYSA-N;112.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35206;MM35206;C=CC(F)(C=O)CO;KANRGIQESSWTGC-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35207;MM35207;C=CC(F)(C#N)CO;SKROCKPGIKORQQ-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35208;MM35208;O=CC(F)(C=O)CO;WJBQOVSLXVDSOS-UHFFFAOYSA-N;120.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35209;MM35209;N#CC(F)(C=O)CO;YRMPGWIBVIRNRK-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35210;MM35210;N#CC(F)(C#N)CO;YBNWKFYRWBKFCG-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35211;MM35211;O=CC(F)(C=O)CF;WWLKKUVLGLAGQE-UHFFFAOYSA-N;122.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35212;MM35212;N#CC(F)(C#N)CF;NQGNKFHFSDYHHX-UHFFFAOYSA-N;116.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35213;MM35213;C#CC=C(OC)N(N)C=O;JUHGOCYBJCEZOU-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35214;MM35214;C=NN=CN(C=N)N=CC;LHTVQXPUVBKTPK-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35215;MM35215;CCN(C=O)C=NC=NC;RLGBEQZXHWEMCU-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35216;MM35216;CCN(C=NC)C(C)=O;VTYZIIYCLFNRAN-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35217;MM35217;C#CC(=C)C(C#C)=NN;OPOCLEPDONUUCX-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35218;MM35218;C=NOC(C)(C#N)OCC;HPONBNYUNHVMOT-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35219;MM35219;C=CC(C)(C=C)OC;USTXIVPLCUNEHM-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35220;MM35220;COC(C)(C=O)C=O;RDLFLSVBOSUNDS-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35221;MM35221;COC(C)(C#N)C=O;INZCGYHOZCJEGU-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35222;MM35222;C#CC(C)(C=C)CC;WPZRGMLHRKIFGK-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35223;MM35223;C#CC(C)(C=O)CC;JYCDBMCRZGUYJK-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35224;MM35224;C#CC(C)(C#N)CC;RQHLQVLKHZLDDL-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35225;MM35225;C#CC=NN(C)CCC#N;WEAZHBBOQUBPOT-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35226;MM35226;C#CC(C)(C=O)CF;ZDCNVBALAQVFLT-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35227;MM35227;CC#CCC(=N)N(N)C=O;LPIPWYZFFPAGMZ-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35228;MM35228;C=NN(C)C=NOCC#N;ICDLWMMECJWHRM-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35229;MM35229;C=NN(CC#N)C(C)C#N;MOCBFDBVRKBUPJ-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35230;MM35230;C#CC(O)(C#N)CC;RSVKGVFLPUIKSI-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35231;MM35231;C#CC(O)(C=C)CO;RZVJXMKDGZWZNP-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35232;MM35232;C#CC(O)(C=O)CO;OCDZBJSPHIMBAT-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35233;MM35233;C#CC(O)(C#N)CO;NJDNUQBIDORZQL-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35234;MM35234;C#CC(O)(C#N)CF;CBWUTQLOZSUIKA-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35235;MM35235;C#CC(F)(C=C)CO;KRACUMGJOAWVAY-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35236;MM35236;C#CC(F)(C=O)CO;HGVCWOWWCTXUBI-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35237;MM35237;C#CC(F)(C#N)CO;OINMPJJEYNBSGE-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35238;MM35238;C#CC(=C)C(C#C)=NNC;RAHCGJQURORJEJ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35239;MM35239;C=NN=CON=C;BZSPYCFLHSRCIT-UHFFFAOYSA-N;99.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35240;MM35240;C#CCC(C#C)=NN;MCTDKGQKZJIYDN-UHFFFAOYSA-N;106.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35241;MM35241;C#CC(C)(C=C)OC;NDRRSZRMCJDDHB-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35242;MM35242;C#CC(C)(C=O)OC;KKFNDWBGRPCMPV-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35243;MM35243;C#CC(C)(C#N)OC;GTSRTOHRGNXXDA-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35244;MM35244;C#CC(C)(C#C)CC;VWMHXOPQXHWZNV-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35245;MM35245;C=NOC=NN(C)C=O;HUGDRRKDDDRIAL-UHFFFAOYSA-N;129.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35246;MM35246;CNNC(=NNC=N)OC;ANFBTVBCNFUIPQ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35247;MM35247;C#CCC(=N)N(N)C=O;NDJFXGNLFDBFMN-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35248;MM35248;N#CC(C=CCF)=CN;DNDRFORVPDCPAO-UHFFFAOYSA-N;126.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35249;MM35249;COC(C=CN)=NNC=N;QHSMGWFUOHKTNE-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35250;MM35250;CC(C)ON(C)C(=N)C=O;DWEBECJJFUPNOM-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35251;MM35251;C#CC(O)(C#C)CC;VXQIHEWPCKTBEZ-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35252;MM35252;C#CC(O)(C#C)CO;CMFBIHIQWVYKMT-UHFFFAOYSA-N;110.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35253;MM35253;C#CC(O)(C#C)CF;GXNGFWMXWWLCHE-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35254;MM35254;C#CC(F)(C#C)CC;LYNUUVFLFSXPSX-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35255;MM35255;CCCC(=O)N(N)C=NC;UWSAKGODEKJSAG-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35256;MM35256;C#CC(F)(C#C)CO;YNYNIYSKRCVSAR-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35257;MM35257;C=CC(C)NN(C=O)C=O;HCLLQSMUPOPXIX-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35258;MM35258;C#CC(C)(C#C)OC;AGHHHWMFCFWSSF-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35259;MM35259;C=CC(C)(C=C)C=C;XXFYHRXJFMBCOR-UHFFFAOYSA-N;108.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35260;MM35260;C=CC(C)(C=C)C=O;AYDJLPBVRAANQQ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35261;MM35261;C=CC(C)(C#N)C=C;VMDALPUDKZKRHH-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35262;MM35262;C=CC(C)(C=O)C=O;DXESMSWZJBUQMO-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35263;MM35263;C=CC(C)(C#N)C=O;XCDLJKAXZZBUON-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35264;MM35264;C=CC(C)(C#N)C#N;BWYGDEXKDXUOON-UHFFFAOYSA-N;106.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35265;MM35265;CC(C=O)(C=O)C=O;IJRGNHJKRWYCQD-UHFFFAOYSA-N;114.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35266;MM35266;CC(C#N)(C=O)C=O;JVBAWCMZLXDGAL-UHFFFAOYSA-N;111.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35267;MM35267;CC(C#N)(C#N)C=O;NHLZZSOSYMMRHG-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35268;MM35268;CC(C#N)(C#N)C#N;VWUGKRZGPYWAPN-UHFFFAOYSA-N;105.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35269;MM35269;C=NN=CC(=C)N(N)C=O;RKCIWQSRUZJIHF-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35270;MM35270;N#CCC(=N)NCC=O;GQZHUOJFJRCERZ-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35271;MM35271;C=CC(O)(C=C)C=O;WVBPIRSVILOAPH-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35272;MM35272;C=CC(O)(C#N)C=C;AXHNOGVXFZYIAH-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35273;MM35273;C=CC(O)(C#N)C=O;SNTRKGWSFVTGQV-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35274;MM35274;C=CC(O)(C#N)C#N;SAMPSYQKBOCWGZ-UHFFFAOYSA-N;108.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35275;MM35275;O=CC(O)(C=O)C=O;HZDOEABKDVXLRZ-UHFFFAOYSA-N;116.07;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35276;MM35276;N#CC(O)(C=O)C=O;JKFNKTFFRIEGNO-UHFFFAOYSA-N;113.07;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35277;MM35277;N#CC(O)(C#N)C#N;FISZWFCOTXYRMA-UHFFFAOYSA-N;107.07;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35278;MM35278;C=CC(F)(C=C)C=C;GRJGUUCGYZITSN-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35279;MM35279;C=CC(F)(C#N)C=C;PUJLMIRQRFKHKX-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35280;MM35280;C=CC(F)(C=O)C=O;LCBGBZTWWOCUBF-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35281;MM35281;O=CC(F)(C=O)C=O;YHLKDIRYLANLLE-UHFFFAOYSA-N;118.06;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35282;MM35282;N#CC(F)(C=O)C=O;UNQWYMIUIGTDGF-UHFFFAOYSA-N;115.06;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35283;MM35283;N#CC(F)(C#N)C=O;GGVKJRWSSOACMY-UHFFFAOYSA-N;112.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35284;MM35284;N#CC(F)(C#N)C#N;KAPIKKAUNZSLAY-UHFFFAOYSA-N;109.06;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35285;MM35285;C#CC(C)(C=C)C=C;DSVFRHPKNKIFCF-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35286;MM35286;C#CC(C)(C=C)C=O;RZGSPQOSFUABCJ-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35287;MM35287;C#CC(C)(C#N)C=C;LAFLVJGSUXLXFI-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35288;MM35288;C#CC(C)(C=O)C=O;HRTGZHZRGWRKGD-UHFFFAOYSA-N;110.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35289;MM35289;C#CC(C)(C#N)C=O;PJRRWNYJNMNROO-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35290;MM35290;C#CC(C)(C#N)C#N;AGEQCMCDQUGAMK-UHFFFAOYSA-N;104.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35291;MM35291;C=CN(OCC)C(=N)C=O;BILOYYFGQVSOLI-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35292;MM35292;C#CC(O)(C=C)C=C;QPYCEDHTJICNCS-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35293;MM35293;C#CC(O)(C=C)C=O;RTTZILIUBNZAIX-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35294;MM35294;C#CC(O)(C#N)C=C;QEEONHLYGLLMSE-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35295;MM35295;C#CC(O)(C=O)C=O;SKMYRNMXEWZDJO-UHFFFAOYSA-N;112.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35296;MM35296;C#CC(O)(C#N)C=O;YPOJVGRYHTYJAH-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35297;MM35297;C#CC(F)(C=C)C=C;TVZIVMMPWSOMAC-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35298;MM35298;C#CC(F)(C#N)C=C;KBWGXQZXSIJTGY-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35299;MM35299;C#CC(F)(C=O)C=O;WDIJDSXYRPWJPG-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35300;MM35300;C#CC(F)(C#N)C=O;INFOMCKHNJLVND-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35301;MM35301;C#CC(F)(C#N)C#N;JPNKGRDNVGNNQC-UHFFFAOYSA-N;108.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35302;MM35302;C#CC(C)(C#C)C=C;BHJNOJAPANPYIB-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35303;MM35303;C#CC(C)(C#C)C=O;RLHNVKYGTOULOU-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35304;MM35304;C#CC(C)(C#C)C#N;OTTIQCXMSPYDBL-UHFFFAOYSA-N;103.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35305;MM35305;C#CC=C(C#C)N(N)C=O;LUIHCFOWWOXHHC-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35306;MM35306;C#CC(O)(C#C)C=C;YYYTXFQUWOQPIT-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35307;MM35307;C#CC(O)(C#C)C=O;OAIGEDOLCNBRRT-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35308;MM35308;C#CC(O)(C#C)C#N;RZRWQDKAJOBYJH-UHFFFAOYSA-N;105.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35309;MM35309;C#CC(F)(C#C)C=C;LVBPKTMTWSSXPO-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35310;MM35310;C#CC(F)(C#C)C#N;YNVFVRVYBLVAPO-UHFFFAOYSA-N;107.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35311;MM35311;C#CC(C)(C#C)C#C;LOZSJYOPPDHASH-UHFFFAOYSA-N;102.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35312;MM35312;COCC=CC(C#N)=CN;HQIQGDVLPMSBIL-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35313;MM35313;C#CC(O)(C#C)C#C;GZIUHUAWSKKRLT-UHFFFAOYSA-N;104.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35314;MM35314;C#CC(F)(C#C)C#C;KOONDWWHJKVDMT-UHFFFAOYSA-N;106.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35315;MM35315;C=CCN(C=O)N=C;ICXYMMJDRKVOEU-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35316;MM35316;CC=CC(C#N)=CN;FKSWBTKKWCQRPK-UHFFFAOYSA-N;108.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35317;MM35317;CCC=NOCC#N;XZTCZPFKIDZABD-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35318;MM35318;C=COC(=C)N(N)C=O;KWXVOXRXSMULLK-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35319;MM35319;CNNC(=NC=O)OC;PGMPEVXARDCPMK-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35320;MM35320;CC=C(OC)N(N)C=O;YKTLTEBVGCFKOP-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35321;MM35321;C=CC=NN(C=O)CC;YIMSLIUCNUUZJJ-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35322;MM35322;C=CN(C=NC=O)N=C;QTICPDRXPWFBNK-UHFFFAOYSA-N;125.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35323;MM35323;CCC(C)C(O)CO;OGLLAZUAZSIDFE-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35324;MM35324;C#CCNC(=NC=O)NC;SCBFUVPQRUKXSN-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35325;MM35325;CCC(O)C(C)CO;SPXWGAHNKXLXAP-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35326;MM35326;CC(CF)C(O)CO;QZHRQGFKTFAZSM-UHFFFAOYSA-N;122.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35327;MM35327;CC(CF)C(O)CF;GRZVTKHTLIEIQA-UHFFFAOYSA-N;124.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35328;MM35328;CC(C)N(C)N=C(N)C=O;GJCFCZGIDIEZLP-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35329;MM35329;C#CC(C)(C=O)NCC#N;XROOLNFHTQLPEJ-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35330;MM35330;C=C(CC(C#N)=CN)OC;XYLODZLFBJAYFI-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35331;MM35331;COC(C=NN(C)C)OC;UFWNVSIHAXAAJI-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35332;MM35332;C#CC(=O)N(N)C(=C)CC;KFJREZSPAGBYRO-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35333;MM35333;C=C(C#CCF)N(N)C=O;DCCCWWDCESMDMH-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35334;MM35334;CNN=C(NNC)OC;HFEQFAIZFIJQKD-UHFFFAOYSA-N;132.17;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35335;MM35335;C=CC#CC(=C)N(N)C=O;BNEVAXPSQKGLTO-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35336;MM35336;C#CCN(C=O)C(=N)CC;QRJNHTQRQULRST-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35337;MM35337;CNN=CC(=COC)OC;FGIFZDXUDCFPMV-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35338;MM35338;CCC(O)C(O)CC;POFSNPPXJUQANW-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35339;MM35339;C#CC=NOCON=CC;SICCAPMOTVAXJS-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35340;MM35340;CON=CCNC=CC#N;YTUCQOAJSYGNHB-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35341;MM35341;C=CC(C#N)=CN;JUDHQIKXTLLYRQ-UHFFFAOYSA-N;94.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35342;MM35342;CCNC(C=O)C=NNC;CXTMUFHTTNPTHV-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35343;MM35343;C=C(C)C(N)=CC#N;KVMBRLQTSCZQEF-UHFFFAOYSA-N;108.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35344;MM35344;C=C(OC)N(N)C=O;IFUHTPXGHKQOGV-UHFFFAOYSA-N;116.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35345;MM35345;C=C(C#N)C=NN(C)C;IQKNOBRVXOAGOQ-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35346;MM35346;C#CC(=NNC(C)C)NN;NJPHDLUYAMQZCK-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35347;MM35347;C#CC(=O)N(N)C(=C)C;MQGYBRBZFLBXEN-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35348;MM35348;C=NOCOC(=C)C#N;RVCAVVIMIIUOKT-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35349;MM35349;C=CN(OC)C(=N)C=O;OXSLLMZJYXXBBU-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35350;MM35350;C=C(OC(C)C)N(N)C=O;OVTGHWNJKUBQOP-UHFFFAOYSA-N;144.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35351;MM35351;C#CCC(=N)N(C)C(C)=O;BHEWPXTXVUHBEE-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35352;MM35352;COC(C)C(O)CF;MLTAVBQENBBSII-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35353;MM35353;C#CC(=O)N(N)C(=C)C=C;LLHAQSKKUBTBMA-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35354;MM35354;COC(C)C(F)CO;UGCZYERQQWBBOU-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35355;MM35355;C#CC(=C)C(=N)N(N)C=O;JDDFUJRUDNYFDO-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35356;MM35356;C=C(OCCC)N(N)C=O;GOFLJRLRQBZOPP-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35357;MM35357;CNC(C=O)C(C)CC=O;XMYCJJHIBDEZJJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35358;MM35358;C=CCOC(=C)N(N)C=O;PAZAIJNTUVGDSV-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35359;MM35359;CC(C#N)C(C)CO;PCMREANPDFWBGE-UHFFFAOYSA-N;113.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35360;MM35360;CC(C=O)C(C)CF;NZWQFDKVDZBEOR-UHFFFAOYSA-N;118.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35361;MM35361;C#CCOC(=C)N(N)C=O;ZDSYWNHYXCDKSF-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35362;MM35362;C#CC(=C)N(N)C=NN;DHEIKOOJZUIEDM-UHFFFAOYSA-N;124.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35363;MM35363;C=CN(N)C(=O)C=NN=C;HJWRKQKRJXFBPT-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35364;MM35364;C=CC(O)C(C)CO;BJWFQBCEWIRQSP-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35365;MM35365;CC(CF)C(O)C#N;RCAZCWTVNCJQFQ-UHFFFAOYSA-N;117.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35366;MM35366;CC(CO)C(F)C#N;AFTNCKKCIKSQKC-UHFFFAOYSA-N;117.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35367;MM35367;C#CC#CCNN(C)C=O;KAZAYPMUZUQRNS-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35368;MM35368;C#CC(=NOC)N(C)N=C;GFYUOYCSAOEVOS-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35369;MM35369;C#CC(C=C)C(=NN)NN;WLONHHMWGJMTSF-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35370;MM35370;CC=NOC(C#N)COC;ZHVJKLCGGJFQJE-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35371;MM35371;C#CC=C(C=NNC)OC;ADFCEIWGZRZQPD-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35372;MM35372;CCCOC(=N)NC=NN;KAMTZZPVDWEHKK-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35373;MM35373;CCC(O)C(C)C=O;YWUGUGHGGWKGEG-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35374;MM35374;CCC(O)C(C)C#N;BXZISMPEMZVBMF-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35375;MM35375;CNC(CC(C)=O)=NOC;QYOUDSJPSNHDDT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35376;MM35376;C=CC(C)C(O)CO;KMPBSNWACXDMII-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35377;MM35377;CC(C#N)C(O)CF;QJHKLSARQNZLFR-UHFFFAOYSA-N;117.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35378;MM35378;NC=CC=NN=CC=NN;AVOSLGHPDXRTQG-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35379;MM35379;N#CC(O)C(O)CO;YDXGXFDEPLKGAQ-UHFFFAOYSA-N;117.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35380;MM35380;O=CC(F)C(O)CO;VIEDXEQADFNGLU-UHFFFAOYSA-N;122.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35381;MM35381;N#CC(F)C(O)CF;ULQHGVNKXCBXOJ-UHFFFAOYSA-N;121.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35382;MM35382;C#CC(=O)N(C=N)N(C)C;NZEOVXGQKXGECD-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35383;MM35383;CC(C=O)C(F)CF;GTEZVBCMSSUAJN-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35384;MM35384;C=NOCC#CC=O;OCUUSBYMGDNUHJ-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35385;MM35385;CCCN(C)N=C(N)C=O;VPYRGTBCIVEVNX-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35386;MM35386;CCC(F)C(O)C=O;WHCQFQPKEAIRBZ-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35387;MM35387;N#CC(O)C(F)CO;BZMDQTABWZAVHJ-UHFFFAOYSA-N;119.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35388;MM35388;N#CC(O)C(F)CF;KYNOYIAJNTUWAD-UHFFFAOYSA-N;121.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35389;MM35389;O=CC(F)C(F)CO;BHFVCJSRRHZFDQ-UHFFFAOYSA-N;124.09;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35390;MM35390;N#CC(F)C(F)CO;KSIYMRRBUVATAE-UHFFFAOYSA-N;121.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35391;MM35391;C=NOC=NN(C)CCF;ILTCCFZFWSHWNN-UHFFFAOYSA-N;147.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35392;MM35392;CC(C=NN(C)C=N)=NN;UJCZZHHMSDSWOA-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35393;MM35393;CC=NN(C)C(=N)OC=O;HYBZHURSGBFDBZ-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35394;MM35394;C=NN=C(ON=C)N(C)C;BZWGUFMUHGFKFO-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35395;MM35395;CNC(C=NO)CC#N;LXYPWQMBPDGCCM-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35396;MM35396;CC(=NOC=NO)N(C)N;FWRWBOLIGYWEJV-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35397;MM35397;C#CCNC(C)(C#N)C=O;CDKUZMRZKSMHIC-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35398;MM35398;COC(C)C(C)C=O;HTKMLPFKXCNUQV-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35399;MM35399;COC(C)C(C)C#N;OSEPWWZKJYYVBD-UHFFFAOYSA-N;113.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35400;MM35400;C=CC(O)C(C)OC;NBGWOZGBTBOMAX-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35401;MM35401;COC(C)C(O)C#N;KRMABMQWRNWJQS-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02672;MM02672;COC(C)C(F)C=O;LHFNHSFBFFYCAC-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35402;MM35402;C#CC(C=O)(C=O)ON=C;BTKRNGCUUNTBBU-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35403;MM35403;CCC(C)N(O)C=O;CXIDNRSASLPYIZ-UHFFFAOYSA-N;117.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35404;MM35404;C#CC(C#C)NCC=NO;BIMLAPCRRHUUFF-UHFFFAOYSA-N;136.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35405;MM35405;C=CC(=N)N=CN(N)C=O;VDNJNLWDMHQODV-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35406;MM35406;CC(C#N)N(C)C(=N)C#N;NTJCRCMLMADRAB-UHFFFAOYSA-N;136.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35407;MM35407;C=NN(C)C(=NC=O)OC;PUVGJESNXKJGFT-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35408;MM35408;C#CC(=CCF)N(N)C=O;HVGQGOAWCFLTDE-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35409;MM35409;CC(=CF)CN(N)C=NO;OVUJXFTWGIKEMY-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35410;MM35410;C#CC(O)C(C)CO;GMABQLYLVFFAQZ-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35411;MM35411;C#CC(O)C(C)CF;CQHHPNCVXUXIDP-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35412;MM35412;C#CC(CCOC=O)=NN;XTNPVGASTSMZJV-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35413;MM35413;C=CCC(C#N)=CN;XAAQJBMSLFSZSN-UHFFFAOYSA-N;108.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35414;MM35414;C#CC(C)C(O)CF;IMYCPRYQYPSRTC-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35415;MM35415;C#CC=CCN(N)C=NO;YHHOWXJIOCSZRT-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35416;MM35416;C=C(C#CC)N(N)C=O;CQAXXMHZPBHYBP-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35417;MM35417;C#CC(O)C(F)CF;KXIYJLRHQXJKOQ-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35418;MM35418;C#CC(F)C(F)CO;RUQJAXCFGLQFRX-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35419;MM35419;C#CC(=CC)N(N)C=O;AJWVPYGMFDBXQW-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35420;MM35420;CNC(C)C(=O)C(C)=CF;ZMSDXVARVKUMKR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35421;MM35421;C#CC(O)C(C)OC;DXEURLWTCRTMTR-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35422;MM35422;C=CC(C)C(C)C=O;HXPMOQYQMCGITO-UHFFFAOYSA-N;112.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35423;MM35423;CC(C#N)C(C)C=O;RCIDRLIPUJSQRD-UHFFFAOYSA-N;111.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35424;MM35424;CC(C#N)C(C)C#N;UJEJQKVERRRQQD-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35425;MM35425;C#CC(=CF)N(N)C(C)=O;AICDYTUIVBGANM-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35426;MM35426;C=CCN(N)C=NO;FLQHHFFXLPKSKN-UHFFFAOYSA-N;115.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35427;MM35427;C=CC(C)C(O)C=O;QCOOFOSKFQPYNK-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35428;MM35428;C=CC(O)C(C)C=O;PYEJKBWYDITLNW-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35429;MM35429;C=CC(O)C(C)C#N;ODKCFMMRYVZBNS-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35430;MM35430;CC(C#N)C(O)C=O;RIMAHCJQYOUDSI-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35431;MM35431;CC(C=O)C(O)C#N;INODULQUVCIMRP-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35432;MM35432;CC(C#N)C(O)C#N;BKULUNGSUVKSCA-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15639;MM15639;C=CC(C)C(F)C=O;MIPGDOGXEDXVRO-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35433;MM35433;C=CC(F)C(C)C=O;HGDXFRVTIYIKCJ-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02257;MM02257;CC(C#N)C(F)C=O;XKTLRRPNDODJSU-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02363;MM02363;CC(C=O)C(F)C#N;WZCTVTIHOBTYFN-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35434;MM35434;CC=CCN(N)C=NO;DFRBNGMMDJUCJF-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35435;MM35435;C=CC(O)C(O)C#N;ZSXNKBBBSOBSRX-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35436;MM35436;N#CC(O)C(O)C=O;NQTFZKHTUAVPEU-UHFFFAOYSA-N;115.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35437;MM35437;N#CC(O)C(O)C#N;RNYXHSLVKXGAFG-UHFFFAOYSA-N;112.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35438;MM35438;C=CC(O)C(F)C#N;ZDNPVOFUHDACAQ-UHFFFAOYSA-N;115.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35439;MM35439;C=CC(F)C(O)C=O;XJJQUPULMVLFSQ-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35440;MM35440;C=CC(F)C(O)C#N;PBGBNPZEBUSUKN-UHFFFAOYSA-N;115.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35441;MM35441;O=CC(O)C(F)C=O;GTFTVOHNPQLWSU-UHFFFAOYSA-N;120.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35442;MM35442;N#CC(O)C(F)C=O;NRXVKBCPAYMMEQ-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35443;MM35443;N#CC(O)C(F)C#N;GATVWHGXEWTYBL-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35444;MM35444;COCC(=NC=O)N(C)C;VDIPYBKBMBEFLP-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35445;MM35445;C=NOCC(=O)OCC#N;BOYIYGIYVDONFH-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35446;MM35446;C=CC(N)=CC#N;GZWXVZVAJLDWPM-UHFFFAOYSA-N;94.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35447;MM35447;C=NN(C)C(C)=O;CCZDNNSAFZENED-UHFFFAOYSA-N;100.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35448;MM35448;C#CC(=C)N(N)C=O;GQZCDMZVABAWRY-UHFFFAOYSA-N;110.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35449;MM35449;CNC(C)C(=O)C=CF;XHWMGEHOZTXFDL-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35450;MM35450;C=CC(C)N(O)C=O;JKMMKPFSKBCSDX-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35451;MM35451;C#CC(F)C(F)CNC;YNQQVGSPIGNTJP-UHFFFAOYSA-N;133.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35452;MM35452;C=NOCC(C)(F)C#N;ISSCJZYDWRLORT-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35453;MM35453;C=NN(C=N)C=NOC;MFMPJZKTDSEPEK-UHFFFAOYSA-N;128.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35454;MM35454;CNN=C(C)COCC#N;WZPGEPYOGPLCFB-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35455;MM35455;C#CC(C)C(C)C=O;DBIOSWLSYMPGOS-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35456;MM35456;C=CC(F)CN(C=N)C=O;QMMHHXWAOMZWOT-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35457;MM35457;C#CC(O)C(C)C=C;BGLQRZSQWFALBB-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35458;MM35458;C#CC(O)C(C)C#N;YBSVRAHPFKWLQF-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35459;MM35459;CNN=C(CO)C(=N)NO;VZVMGEUKMURXNE-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35460;MM35460;C#CC(C)C(O)C=O;FWILIMYHFBTYAL-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35461;MM35461;C#CC(C)C(O)C#N;GMLFPOOHZMGEMT-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35462;MM35462;C#CC(O)C(O)C=C;GXALOWNNGCFMJB-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35463;MM35463;C#CC(O)C(O)C#N;QUWXXTJFFUCGBW-UHFFFAOYSA-N;111.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35464;MM35464;C#CC(F)C(O)C=O;OJISPOJWHFUTCA-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35465;MM35465;C#CC(F)C(O)C#N;FSRONAKVPVEOEE-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35466;MM35466;C#CC(O)C(F)C=O;IRDZBILXJPAOQH-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15627;MM15627;C#CC(F)C(F)C=O;UHXSNUVSGMCYMV-UHFFFAOYSA-N;118.08;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35467;MM35467;C=C(C=O)N(C)C(=N)C=O;ILLOYRQJTOHYRM-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35468;MM35468;C#CC(=CC#N)N(C)N=C;XVZIIEJALKDRCR-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35469;MM35469;CCCN(C=O)C=NC=N;WQTINRUBAUUARB-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35470;MM35470;CNC(C)C(=O)C=COC;SUBHVGGKPXWXIL-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35471;MM35471;C#CC(O)C(O)C#C;MZEDCJORJFRCCD-UHFFFAOYSA-N;110.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35472;MM35472;C#CC(O)C(F)C#C;UULJESWABFVZAA-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35473;MM35473;C=CC=NN(C=O)C(C)C;RDFXXSXVHJIOSQ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35474;MM35474;CCC(=O)C(C)CO;JYEMLYGXHDIVRA-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35475;MM35475;CC(CF)C(=O)CF;YBNXBHDZCVIIFC-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35476;MM35476;CNN=C(CN)NC;FXNVPCOWZLEJMG-UHFFFAOYSA-N;116.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35477;MM35477;C=CC=NOC(C#N)OC;XKOIVBSDCMPQCX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35478;MM35478;CC=NOCON=CC=O;YWXPWTKBKNYRPM-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35479;MM35479;C#CCOC(=NC)NO;GNFNAMOPJSVCSD-UHFFFAOYSA-N;128.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35480;MM35480;C=C(CC)C(O)CO;MGMAWAZBODIPSY-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35481;MM35481;CCC(=O)C(O)CC;SKCYVGUCBRYGTE-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35482;MM35482;CCC(O)C(=O)CF;WQKFOORODFWFQD-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35483;MM35483;C=C(CO)C(F)CF;PQIPGTCJSBWRSV-UHFFFAOYSA-N;122.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35484;MM35484;CCC(F)C(=O)CO;YARBHKMBRKXNLZ-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35485;MM35485;CNC(C)C(=O)C=C(C)C;ALZXZTUNPPOBPL-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35486;MM35486;CCC(C)C(=O)NO;COUUJDTWHFKUPQ-UHFFFAOYSA-N;117.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35487;MM35487;C=CCC(=NN)N(C)O;BAKNPWCUAQELIU-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35488;MM35488;CC(=NN(C)C=N)N(C)O;QGQMJYPBAJIMFR-UHFFFAOYSA-N;144.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35489;MM35489;CNN=C(NC=N)C(C)C;KNINARQQTIJAFX-UHFFFAOYSA-N;142.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35490;MM35490;C=C(C)C(=O)C(C)NC;DAVLSLQUQGYPDB-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35491;MM35491;C=NOC(CC)=NNC=N;FLLPKIGTUGBSIC-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35492;MM35492;NNC(=O)C(O)CO;ZSKOXNZLFYXWIR-UHFFFAOYSA-N;120.11;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35493;MM35493;C=NN(C=O)CC;VPMMKWAQSAZEIQ-UHFFFAOYSA-N;100.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35494;MM35494;C=CC(=O)C(C)NC;ZTBAQTHMXDYOII-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35495;MM35495;C#CC(CF)CNC=NN;RNNGARKCYWCMAI-UHFFFAOYSA-N;143.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35496;MM35496;CN(C)N=C(N)C=O;WXCVUSLXXGOWKM-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35497;MM35497;NNC(=O)C(F)CO;BYTVXGKPRJLEIM-UHFFFAOYSA-N;122.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35498;MM35498;O=C(NO)C(F)CO;CJHJLNGGJLZISN-UHFFFAOYSA-N;123.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35499;MM35499;COC(=O)C(C)CO;ATCCIZURPPEVIZ-UHFFFAOYSA-N;118.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35500;MM35500;C=NOC(=NOC)NC;DZTPKKLWRMJTSR-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35501;MM35501;C=CCN(N=C)C(C)=O;SZTHXRLJKXOTOQ-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35502;MM35502;C=C(OC)C(O)CF;BCWVPWZNRQFMGS-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35503;MM35503;CCC(O)C(=O)OC;DDMCDMDOHABRHD-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35504;MM35504;COC(=O)C(O)CF;PHAJCFVKVUQMGG-UHFFFAOYSA-N;122.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35505;MM35505;N#CCNN(C=N)C=O;UENRVFGCWNQNOD-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35506;MM35506;COC(=O)C(F)CO;GUEGCFMMLFMGAJ-UHFFFAOYSA-N;122.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35507;MM35507;COC(=O)C(F)CF;DVWZVBJRJHISPF-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35508;MM35508;CCC(=N)N=CN(C)C=O;COTLSWWXXMFYIC-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35509;MM35509;C=CN(N)C(=O)N(C)N=C;HHEUVBNNXSSGDK-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35510;MM35510;C=C(F)CNCC(C)=O;USXKEDFBWCWLKG-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35511;MM35511;CNN=C(C=CF)N(C)N;CPGOSEVZGWCQQW-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35512;MM35512;C#CCN(N=C)C(=N)CF;ISQDTNGFICYIBN-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35513;MM35513;NN(C=O)C=C(F)F;BHVARJRQDWWOQT-UHFFFAOYSA-N;122.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35514;MM35514;C#CC=C(C=NN)OC;FTRPFAIDOJZONY-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35515;MM35515;C=C(CO)C(C)OC;SMXCFPJVNVUGTF-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35516;MM35516;C=CC(C)N(C=O)N=C;GIZXRCOVBNWHEQ-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35517;MM35517;C=NN=CN(C=N)N=C;KUEVDFFXQOEOOZ-UHFFFAOYSA-N;125.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35518;MM35518;CNC(=O)C(C)OC;KZVMIFXJZQUPKL-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35519;MM35519;COC(=O)C(C)OC;VABBJJOSOCPYIT-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35520;MM35520;C=CCCN(C)N(C)C=O;BJNGENBZKKDTKA-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35521;MM35521;C=NOC=NN=C(C)OC;LHBJLUYZDLIXAJ-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35522;MM35522;C#CC(=O)N(C=N)CC=C;CWZCEDDQTKNUKH-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35523;MM35523;C=NN(C)C(=NC)OC=O;UUTMQMORHJGORH-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35524;MM35524;CNN=CN(C=N)CC#N;BQXSJRNBOQLZRS-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35525;MM35525;CCN(O)C(=O)CF;RXUFVNKVJIQJSM-UHFFFAOYSA-N;121.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35526;MM35526;COC=C(C=NN)OC;ACOACLBICDYVEO-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35527;MM35527;C#CC(C)(C#C)NCC=O;SJOIYZFNGKFODI-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35528;MM35528;CCN(N)C(=O)NO;KLLIVKCMKARSDE-UHFFFAOYSA-N;119.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35529;MM35529;C#CCNC=NC(C)=NN;XMGMZIRAPDOLMG-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35530;MM35530;CNN=CC(C)NCC=O;BUUDFWHARZNCJK-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35531;MM35531;CCN(O)C(=O)NN;RTPGADQGRWCPIS-UHFFFAOYSA-N;119.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35532;MM35532;CCN(O)C(=O)NO;DTSFMHZKFHCLFY-UHFFFAOYSA-N;120.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35533;MM35533;N#CCCC(C#N)=CN;VLSSTQANXCMKCL-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35534;MM35534;C=NOCOC=CC#N;JGYUWQJSBUEBHT-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35535;MM35535;N#CC(=N)N=CNC=N;CBVLDEXIZGABAL-UHFFFAOYSA-N;123.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35536;MM35536;CNN(C)C(=O)NO;GWPSLIDXZUAQKO-UHFFFAOYSA-N;119.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35537;MM35537;CCC(=O)N(C)OC;YKVJZSZZQKQJMO-UHFFFAOYSA-N;117.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoro-N-methoxy-N-methylacetamide;MM02573;CON(C)C(=O)CF;GZDGUPMUKOMHGS-UHFFFAOYSA-N;121.11;-0.02;11815852;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35538;MM35538;C=C(C=NN)OCOC=O;ZDATWNKVPHEDCS-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35539;MM35539;CC(N)=C(C=O)N=CN;RNZFDSGBRURDOC-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35540;MM35540;CCNCC=O;ILGDOMACGBCIPG-UHFFFAOYSA-N;87.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35541;MM35541;CNC(=O)N(C)OC;UOQHMTMTPKALAZ-UHFFFAOYSA-N;118.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35542;MM35542;COCC(=N)NC(=N)C#N;FTRADCVJYCSXNW-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35543;MM35543;CON(C)C(=O)NO;DMDSATFQSLQIGV-UHFFFAOYSA-N;120.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35544;MM35544;COCC=NN(C)CC#N;DEBQRMMXFBBUOR-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35545;MM35545;COC(=O)N(C)OC;XMRDNYNZIUDSIR-UHFFFAOYSA-N;119.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35546;MM35546;C=C(C=O)C(C)CO;ZDGBNOGZGMOOCB-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35547;MM35547;C=C(C#N)C(C)CO;REQCVNQZCIHEGA-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35548;MM35548;CC(CO)C(=O)C=O;ROKGRLJNHSUEOC-UHFFFAOYSA-N;116.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35549;MM35549;CN(C)C(=O)N(N)C=CF;PZMGWRXKBNTCCV-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35550;MM35550;C=NN(C)C=CC(=O)C#N;DEUWBZJIRWVFLN-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35551;MM35551;C=CC(=O)C(O)CC;ZWFSKVZACXTELI-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35552;MM35552;CCC(O)C(=O)C=O;DGAOCHBNQCRVTI-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35553;MM35553;CCC(O)C(=O)C#N;JCEQPYRELNDLIX-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35554;MM35554;N#CC(=O)C(O)CO;NIWLZTDYTKKHEI-UHFFFAOYSA-N;115.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35555;MM35555;N#CC(=O)C(O)CF;LMEUYOCZECYQHR-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35556;MM35556;C=C(C#N)C(F)CO;GELHHUCHZBGQKD-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35557;MM35557;N#CC(=O)C(F)CO;ZIKYIYMPSKMLSA-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15557;MM15557;O=CC(=O)C(F)CF;SFKMASBFLLJMAC-UHFFFAOYSA-N;122.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35558;MM35558;C#CC#CC(=O)N(N)C=N;FOGHETBNGZBKGI-UHFFFAOYSA-N;135.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35559;MM35559;CC=NOCOC(=O)OC;DEMPUAOBFSCYBX-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35560;MM35560;C#CCN(N=C)C(=N)OC;CORUXTSAWSDOSN-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35561;MM35561;CCC(=NO)ON=CNC;SLGJOWOVCPQFSB-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35562;MM35562;N=C(N)C=NN=CCF;GUUBHXDOGHXUHM-UHFFFAOYSA-N;130.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35563;MM35563;COC(C)C(=O)C=O;VAXFNIJXHNLQJD-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35564;MM35564;C=NOCC(C#N)CC#N;AZCXXIFWBQTDCK-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35565;MM35565;CNN=CC(=CC=O)OC;AZTKNWASLAABRK-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35566;MM35566;CCN(C)C(=O)C=O;FMFYYJVSRXRQSI-UHFFFAOYSA-N;115.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35567;MM35567;C=NN(C=NC=O)C(=C)C;NDZIXDRAGWZXEE-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35568;MM35568;C=NN(C=N)C=NOCC;YDDAMWZKZHSOHK-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35569;MM35569;C=CC(=O)N(O)CC;JPNTUZVTAHVHFB-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35570;MM35570;C#CC(C=COC=O)=NN;PKUUDUWDJVTDOY-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35571;MM35571;C=CN(N=C)C(C)=NC=O;YGXKFGFTASZZQE-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35572;MM35572;CCC(C#N)=CN;IUJFXWNGBSUGRI-UHFFFAOYSA-N;96.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35573;MM35573;CON(C)C(=O)C=O;JRSZILYPLFWDTJ-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35574;MM35574;CON(C)C(=O)C#N;JCJWVJHINPTIMI-UHFFFAOYSA-N;114.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35575;MM35575;C#CC(=O)C(C)CO;SAKDMNJCEGMASS-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35576;MM35576;C#CC(=C)C(O)CF;LCYZRMZOCSMJIC-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35577;MM35577;C#CC(=O)C(O)CF;WCEZDICRMMZDEK-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35578;MM35578;C#CC#CCON=C;BYGVRHMAIXJERU-UHFFFAOYSA-N;107.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35579;MM35579;C#CC(=C)C(F)CO;JGFYGTYVUQSQEN-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35580;MM35580;C#CC(=O)C(F)CO;MBUFBLPHMLPZRB-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35581;MM35581;CC(=CF)N=C(N)C=O;ZCWSGPYOMYHNSR-UHFFFAOYSA-N;130.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35582;MM35582;C#CC(=O)C(C)OC;DWQMWBYLXROEES-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35583;MM35583;C=NOCOC(=O)C=O;AKTHMZVPKBOTNG-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35584;MM35584;N#CC(=CN)CCCF;CLWMYDSSLVURBY-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35585;MM35585;C=C(C)C(C)N(C=N)C=O;NLBLRXUATRQVAX-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35586;MM35586;C=CC=NOC(=O)N(C)N;NEDUYIXJXDBRAP-UHFFFAOYSA-N;143.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35587;MM35587;CC(C=NN(C)C=N)=NO;PIRDSNBUKMTUOC-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35588;MM35588;C#CC(=O)N(O)CC;FROJTBWHJZZYFH-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35589;MM35589;CNN=CC(C)(OC)OC;OIYZXEXEOOEZMF-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35590;MM35590;C#CC(=O)N(C)OC;ZSWHCYFXYZHIIS-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35591;MM35591;C#CC(=C)CN(N)C=NO;QDXBMJODEKMANS-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35592;MM35592;C=C(CO)C(C)C=O;HVMANSMROBXIJJ-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35593;MM35593;C=C(CO)C(C)C#N;LMPAXAAQCVFHEU-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35594;MM35594;C=CC(C)C(=O)CO;VQFGHJVEENHXLD-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15605;MM15605;C=CC(C)C(=O)CF;BHCMKFLGJJHEKO-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methyl-3-oxopentanenitrile;MM02281;CCC(=O)C(C)C#N;DKQNLQUJEQFXBR-UHFFFAOYSA-N;111.14;1.13;12871376;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35595;MM35595;CC(C#N)C(=O)CO;MWEKASLRFHGQEK-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02830;MM02830;CC(C#N)C(=O)CF;BEZYHRIJTBHFTB-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35596;MM35596;CC(C)NCC(F)C=NN;BGBHBDPOXGVGOX-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35597;MM35597;CCC(=NO)NC;HESVKWCQJMDCBE-UHFFFAOYSA-N;102.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35598;MM35598;C=CC(O)C(=C)CO;WNSATJCPJZSSFC-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35599;MM35599;C=C(CC)C(O)C=O;PZFPSUZXZAIQFH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35600;MM35600;C=C(CF)C(O)C#N;DLUVOESSUIZSPW-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35601;MM35601;C=CC(O)C(=O)CC;BFAZWULGRMBHPB-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35602;MM35602;CCC(=O)C(O)C#N;IHSGUCNBFSHKPB-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35603;MM35603;N#CC(O)C(=O)CO;JUASRICQHKVCPU-UHFFFAOYSA-N;115.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02085;MM02085;CCC(=O)C(F)C=O;GBAZFWPXORWIGL-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16579;MM16579;O=CC(F)C(=O)CF;HKWUDKROZIIBSV-UHFFFAOYSA-N;122.07;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35604;MM35604;C#CC=NN(C)C=NC=N;VRTRIDKYMLDBDJ-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35605;MM35605;CNC=C(F)C(=N)N(C)C;QBGNFGFQTUOCAA-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35606;MM35606;C=NNC(=N)C(C)(C)CN;BJAWECWNTSNCFD-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35607;MM35607;N#CCC=NN=CC(=N)N;OOIRLFVXJAJXMG-UHFFFAOYSA-N;137.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35608;MM35608;CNC(=O)C(C)C#N;AUZWUQTWIDPLOK-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35609;MM35609;CC(C#N)C(=O)NO;RMCWPADYESUYHH-UHFFFAOYSA-N;114.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35610;MM35610;C=CC(=NO)N(C)N;WZFDZVVYYLKGLY-UHFFFAOYSA-N;115.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35611;MM35611;CNC(=O)C(O)C#N;FIYUTZRHNUKXGE-UHFFFAOYSA-N;114.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35612;MM35612;N#CC(O)C(=O)NO;XXLGPJQFBNMDGM-UHFFFAOYSA-N;116.08;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35613;MM35613;CC(N)C(F)C#CC=NO;CRCHAUXLTADXRJ-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35614;MM35614;C=NN=C(NN)NO;WMDMCVGIULJKEH-UHFFFAOYSA-N;117.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35615;MM35615;CNN=CN(O)C=N;KQWHDERMDAQYGA-UHFFFAOYSA-N;116.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35616;MM35616;CC(=NN)N(O)C(C)C;AXKLALWXJVJVDK-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35617;MM35617;C=CC(F)C(=O)NC;OFNOBGVPXPXFER-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35618;MM35618;CNC(=O)C(F)C=O;AVZHTSTZXZPLAZ-UHFFFAOYSA-N;119.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35619;MM35619;N#CC(F)C(=O)NO;OCWJMZOIHBUJGS-UHFFFAOYSA-N;118.07;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35620;MM35620;C=C(OC)C(C)C#N;GIUJXYHYFIGJFN-UHFFFAOYSA-N;111.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-cyanopropanoate";MM02836;COC(=O)C(C)C#N;GWHHQWUYMDWMAY-UHFFFAOYSA-N;113.12;0.32;247818;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35621;MM35621;C=NN(C)C(C#N)CC#N;BLQPOHKBAZZRQF-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35622;MM35622;C=CC(O)C(=C)OC;SUOMIVWTSUCJAK-UHFFFAOYSA-N;114.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35623;MM35623;C=C(OC)C(O)C#N;XVEOUZLCQSVWGU-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35624;MM35624;C=CC(O)C(=O)OC;JBKTVPSFVUFSAO-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35625;MM35625;COC(=O)C(O)C=O;JTCRNBJHUIEKQS-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35626;MM35626;COC(=O)C(O)C#N;OQYMSLUZKXXZOX-UHFFFAOYSA-N;115.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35627;MM35627;COC(=O)C(F)C=O;TVGJWSHAENGWNN-UHFFFAOYSA-N;120.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-cyano-2-fluoroacetate";MM02054;COC(=O)C(F)C#N;NAUHWNYAWFVLID-UHFFFAOYSA-N;117.08;0.02;14028552;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35628;MM35628;C=NN(C)C(C#N)=CC=O;WLGARCVUDWLDML-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35629;MM35629;C=C(CO)N(C)C=O;UPKWAQVHDXAHMY-UHFFFAOYSA-N;115.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35630;MM35630;C=CCC(C#N)=C(N)OC;BRIQAFXITLOUGL-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35631;MM35631;C#CCN=CN(O)C=C;LIOIUAXSFQGEHH-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35632;MM35632;C=NN(CC#N)CCC#N;HSXAKWPDTPJFMD-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35633;MM35633;C=CN(C)C(=O)CF;XSCBYCKIRHNYDY-UHFFFAOYSA-N;117.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35634;MM35634;CCC(=O)N(C)C=O;QQXVKJIVOAYVCS-UHFFFAOYSA-N;115.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35635;MM35635;CN(C=O)C(=O)CF;KGTUWWGHHOEBMF-UHFFFAOYSA-N;119.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35636;MM35636;C=COC(C=NNC)OC;YKRWHKJSAUKMFN-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35637;MM35637;C#CCC(N)=CC#N;NPIMRUMVBCZZAB-UHFFFAOYSA-N;106.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35638;MM35638;C=NOCOC=CF;IKHXLBGTWSUAPO-UHFFFAOYSA-N;119.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35639;MM35639;C=C(CC)N(O)C=O;JOCAXURTMMZEDH-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35640;MM35640;C=CC(=C)C(CNC)=NO;GYGWUSODAPLCBK-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35641;MM35641;CNN=C(NC)NC(N)=O;TUYGZDOCXVSUTQ-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35642;MM35642;CNN=CC(=O)NC(=N)N;RIJTUQCRXVRCFJ-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35643;MM35643;C=NNC(=O)C(C)(C)NC;SZIBYFJHGVMABN-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35644;MM35644;C=CN(O)C(=O)CC;BCYWIBZXFMJSAR-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35645;MM35645;C=CN(O)C(=O)CF;LFJOHXOQDUAZQG-UHFFFAOYSA-N;119.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35646;MM35646;C#CC=NNCCF;PBXWWFJAELQWMP-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35647;MM35647;C=NN(C=O)CC(=C)C;BWCXOFZLNUEUSN-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35648;MM35648;C#CC(O)C(C)(F)CN;COEYDKUXAKKYFP-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35649;MM35649;C=CN(C)C(=O)NC;LJKRXFYAKVYSDK-UHFFFAOYSA-N;114.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35650;MM35650;C=C(C#N)C(=N)N(C)O;WQCYGINKDLFXJB-UHFFFAOYSA-N;125.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35651;MM35651;C#CC(=C)C(O)C(N)C#C;UNHGRSLHKAQKEB-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35652;MM35652;CN(C=N)C(=O)NO;VIJNMIFNRPFNFR-UHFFFAOYSA-N;117.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35653;MM35653;CN(C=O)C(=O)NO;DIZJQGUXWMTEFM-UHFFFAOYSA-N;118.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35654;MM35654;C=NN=C(OC)N(C)C;LIKYZYCUNQJPET-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35655;MM35655;CCC(=O)NCC#CCN;HPDTWDOGOHOQQC-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35656;MM35656;C=CN(N)C(=O)NO;DSVKVOLJNNHELW-UHFFFAOYSA-N;117.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35657;MM35657;CNC(C)C(F)C(C)O;BOLVNBCVQWBKNL-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35658;MM35658;CCCNN=CNO;KIXNWVJQFZFBKP-UHFFFAOYSA-N;117.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35659;MM35659;N=C(NO)N(O)C=O;MNIXKFBCGXGHCD-UHFFFAOYSA-N;119.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35660;MM35660;C=CN(O)C(=O)NC;USXMUYWFTQBTFO-UHFFFAOYSA-N;116.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35661;MM35661;C=CN(O)C(=O)NN;ZRQHUBJGFDLFJP-UHFFFAOYSA-N;117.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35662;MM35662;C=C(C)CN(C=N)C(C)=O;CGWADIIOOFXFMK-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35663;MM35663;C=C(OC)N(C)C=O;ZRXGRTABPOKTSE-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35664;MM35664;C=NN(C)C(=N)C#CC#N;CVCKHBHQXKRGJF-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35665;MM35665;C=CN(C)C(=O)OC;VRGCQWGQOKEYCQ-UHFFFAOYSA-N;115.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35666;MM35666;COC(=O)N(C)C=O;ZHMHSRGMNDTYJK-UHFFFAOYSA-N;117.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35667;MM35667;C=NOC(C)OCC#N;WFLZUUPEVPDOBG-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35668;MM35668;C=CN(N=C)C(=N)CF;AVALIDMHWAHDJS-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35669;MM35669;CNN=CC(OC)OC;GZOFXPDJTSEUCX-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35670;MM35670;CCN(C=O)C=NC=N;FIHSMGULHUFXEL-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35671;MM35671;COCCNC(C)=CC#N;AGRNHXPHXYHNLD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35672;MM35672;C=C(OC)N(O)C=O;LXCAZSBHFQNHSB-UHFFFAOYSA-N;117.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35673;MM35673;CCCCNN=CNO;GLWHAUDOVWOTPR-UHFFFAOYSA-N;131.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35674;MM35674;C=CN(O)C(=O)OC;CHTKDTILMWMFGJ-UHFFFAOYSA-N;117.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35675;MM35675;C=NNCCOC(=O)C#N;DWEOYMBJUVGYEU-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35676;MM35676;CC(C)(C)CNN=CNO;OBTYVMDXNLPJGD-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35677;MM35677;COC(N)=C(C#N)CCF;TXTKHPQKIMWCSU-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35678;MM35678;COC(N)=C(C#N)C(C)C;XZFPQLYURNQPAL-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35679;MM35679;CC(C#N)CNN=CNO;VOZYZCPSRJBJHR-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35680;MM35680;C=CC(N=CNO)=NC;BGTYVBVATTYABH-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35681;MM35681;C=NN(C)C(=O)NO;FLPQUVIMOUSHLE-UHFFFAOYSA-N;117.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35682;MM35682;C=CC(C)C(=C)C=O;FXHBQPYYLKCBGL-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35683;MM35683;C=C(C=O)C(C)C#N;AUUYHKXJRIKJBG-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35684;MM35684;C=C(C#N)C(C)C#N;ICKPUFPXUBGDLV-UHFFFAOYSA-N;106.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35685;MM35685;C=CC(=O)C(C)C=C;UXRCRBZQQIWCBN-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-methyl-2-oxopent-4-enal;MM02196;C=CC(C)C(=O)C=O;KTKRGUIVRDJLMQ-UHFFFAOYSA-N;112.13;0.58;129636421;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15288;MM15288;C=CC(C)C(=O)C#N;WFASOEKYVDLAKX-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15784;MM15784;C=CC(=O)C(C)C#N;AJQYXTZDVZDEEL-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Methyl-3-oxobutanedial;MM02083;CC(C=O)C(=O)C=O;WEWXDGOOBXAPII-UHFFFAOYSA-N;114.1;-0.41;85125725;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02093;MM02093;CC(C#N)C(=O)C#N;KYWYXWQEPREQSS-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35686;MM35686;C=CC(O)C(=C)C=O;ZYEPMIPLXFQYRA-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35687;MM35687;C=CC(O)C(=C)C#N;BMYGIGISSOIPLR-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35688;MM35688;C=CC(=C)C(O)C=O;BJFYMGXECGCISG-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35689;MM35689;C=CC(=C)C(O)C#N;ZPFYJNMXYWFBCF-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35690;MM35690;C=C(C=O)C(O)C#N;KMNMKRCPCNKVQX-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35691;MM35691;C=C(C#N)C(O)C#N;MNXWGROWIZESDV-UHFFFAOYSA-N;108.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35692;MM35692;C=CC(=O)C(O)C=C;WAIBMGFEMCROHB-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35693;MM35693;C=CC(O)C(=O)C#N;HQHDLQOVYQQDFO-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35694;MM35694;C=CC(=O)C(O)C#N;MVBQMVVIVKXCBW-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35695;MM35695;N#CC(O)C(=O)C=O;MDOFXKJFXGJGBE-UHFFFAOYSA-N;113.07;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35696;MM35696;N#CC(=O)C(O)C=O;XNFNJKSSWDEOPM-UHFFFAOYSA-N;113.07;-1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35697;MM35697;N#CC(=O)C(O)C#N;HJVVFRFKQZAYEH-UHFFFAOYSA-N;110.07;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35698;MM35698;C=C(C=O)C(F)C#N;GOWLPZLSOUYHNW-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15620;MM15620;C=C(C#N)C(F)C=O;MTOZBUQSBCRBBY-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15559;MM15559;C=CC(F)C(=O)C=O;NVDXMSCJKWVLDJ-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15546;MM15546;C=CC(F)C(=O)C#N;XRZYHJLBITZSBP-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16590;MM16590;C=CC(=O)C(F)C=O;GWMPMFWIEQQBMP-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15774;MM15774;C=CC(=O)C(F)C#N;RBKBCKLTHDPZHI-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15516;MM15516;O=CC(=O)C(F)C=O;YKFDJCOZDZNACP-UHFFFAOYSA-N;118.06;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15512;MM15512;N#CC(=O)C(F)C=O;YPROQTJNYWLIBA-UHFFFAOYSA-N;115.06;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15961;MM15961;N#CC(=O)C(F)C#N;PHEAADBVQFHAKW-UHFFFAOYSA-N;112.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35699;MM35699;C=C(C)C(C#N)=C(N)OC;WHRAXGNOCVMOMU-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35700;MM35700;CN=CN=C(C=O)N(C)C;MDTJUZABGNNMDK-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35701;MM35701;C=CC(=C)N(C)C=O;TUSOCWSVXDWHQL-UHFFFAOYSA-N;111.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35702;MM35702;C=C(C=O)N(C)C=O;ZFNCACAHDGYVGM-UHFFFAOYSA-N;113.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35703;MM35703;C=C(C#N)N(C)C=O;JSFWLZGJEMNJBS-UHFFFAOYSA-N;110.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35704;MM35704;COC=CC(C#N)=C(C)N;WVRQNSHEJDIXNX-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35705;MM35705;C=CN(N=C)C(=N)ON=C;UOIDGMCLPLTUPO-UHFFFAOYSA-N;140.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35706;MM35706;C=NOC(C)=NOC;VKHWWVYZTYNKEW-UHFFFAOYSA-N;116.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35707;MM35707;C=NN(CC)C(C)=O;MWZGZWIJHRHPOS-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35708;MM35708;CC=NOCOC=O;ADELVBJUTJMVCE-UHFFFAOYSA-N;117.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35709;MM35709;C#CC(F)=CN(N)C=O;JUAAYLUNZCOSKN-UHFFFAOYSA-N;128.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35710;MM35710;CC(C)=NOCCC#N;LFPAFYBFNOATLP-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35711;MM35711;CC(=O)N(C)C=NC=N;DMYPQBINKOEPIY-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35712;MM35712;C=CC(=O)N(C)C=C;GSOZJNOMOUGFPA-UHFFFAOYSA-N;111.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35713;MM35713;C=CN(C)C(=O)C=O;LDWXHWPJVVENMT-UHFFFAOYSA-N;113.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35714;MM35714;C=CN(C)C(=O)C#N;LVHDRRQCOSZGPR-UHFFFAOYSA-N;110.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35715;MM35715;C=C(C=NNC)OC(C)=O;UVURPHSEJPUCJE-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35716;MM35716;C=NN(C(C)=N)C(=N)C#N;MTCKOENXPAPZBF-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35717;MM35717;C=CC(=O)N(C)C=O;ZWJLBRJNVAHEOW-UHFFFAOYSA-N;113.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35718;MM35718;CN(C=O)C(=O)C#N;OHOUOIAWWVQVKR-UHFFFAOYSA-N;112.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35719;MM35719;C=NOCOC(C#N)=CN;BBYUHSPMZUFAFQ-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35720;MM35720;CC(C#N)=CN;ARURRWWRCKTFBE-UHFFFAOYSA-N;82.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35721;MM35721;C=NN(C=O)C(C)C;XQAQRJNXBALVDR-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35722;MM35722;C=CCOC=NN(C)C;LDFMLBHXDOFHMY-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35723;MM35723;CC=CNC(=NC)C(N)=O;IOBSBZCWAJGOLV-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35724;MM35724;C=CNC(=NNC=N)OC;OALKGZPLXLALQF-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35725;MM35725;C=NN=C(NNCC)OC;OOIBIBREJSVEEX-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35726;MM35726;C=C(CN)C(=O)NC=CC;WUUWHMNPRYMHCS-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35727;MM35727;CC(C)OC(=N)NC=NN;OVMPCYXBXYWLDV-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35728;MM35728;C=CC(O)C(=C)CN(C)C;YZCFBIRXBZTDRX-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35729;MM35729;C=CN(C=N)C(=N)CO;XXKPUBVAGYUTIT-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35730;MM35730;CNCC#CC(=O)NC;RTHWJESYIHZSLO-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35731;MM35731;C=CC(=O)N(O)C=C;LUWJGMHMWQCNQD-UHFFFAOYSA-N;113.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35732;MM35732;C=CN(O)C(=O)C#N;CCSBJBOJOCSANQ-UHFFFAOYSA-N;112.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35733;MM35733;C=NOC(CC#N)OC;NUHZNBUGNPYREH-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35734;MM35734;COCCNC(N)=CC#N;IRBMNVXONQHOBL-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35735;MM35735;CCC(F)CNN(C)C=O;QFTNNXCTOORVEW-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35736;MM35736;C#CCNN(C)C(=O)C#C;GLBSCUXVYLJKDT-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35737;MM35737;C#CC(=C)C(C)C#N;KDJTYOKYWOYZMV-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16027;MM16027;C#CC(=O)C(C)C=O;MXWNIJZOLIMJEP-UHFFFAOYSA-N;110.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15764;MM15764;C#CC(=O)C(C)C#N;PCXMARUNMKJHAF-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35738;MM35738;C#CC(=C)C(O)C=C;UTTFFMBTYYVHQL-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35739;MM35739;C#CC(=C)C(O)C=O;VWVBRMKTKFJBIT-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35740;MM35740;C#CC(=C)C(O)C#N;IPDAUSAQZVQXCZ-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35741;MM35741;C#CC(=O)C(O)C=C;WLYARHYZLWCFOP-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35742;MM35742;C#CC(=O)C(O)C#N;GZEWJHHMOBTGCD-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16574;MM16574;C#CC(=O)C(F)C=O;FSLDMIPMHYPDLS-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15694;MM15694;C#CC(=O)C(F)C#N;ASFJQXYOLDCUIV-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35743;MM35743;C=NN(C)C(=CC#N)OC;GNVQKPJZOYWTEP-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35744;MM35744;C#CC(=C)N(C)C=O;JBTPTOBEUFCPAY-UHFFFAOYSA-N;109.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35745;MM35745;CN=C(C=O)N(C)CC#N;WYWYZFOMLQCAJR-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35746;MM35746;C=C(OC)N(N)C(C)=O;DBPCYSLFCCRSEY-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35747;MM35747;C=NOCOC(C)C#N;DDNVESKGFFOXLR-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35748;MM35748;C#CC(=O)N(C)C=C;KKAAWXRVZUDJBN-UHFFFAOYSA-N;109.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35749;MM35749;CCCN(C)N(C)C=O;MFNZCINIQPXOQM-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35750;MM35750;COCCC(CF)=NN;YDUNRUFYHMQYJQ-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35751;MM35751;CN=C(C#N)N(C)N(C)C;MEQSKQRTFYUHDB-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35752;MM35752;CN=CN(C)C(=O)C(C)C;PXYPDXJCDUSNEQ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35753;MM35753;C#CC(=CN(N)C=O)OC;OECMYQRYYYOWLD-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35754;MM35754;C#CCN(C=NC=O)CC;UEFRUDLIMJSLPQ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35755;MM35755;CNC(=CC#N)OCC#N;VCVFXCGIOKTPFL-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35756;MM35756;C=COC(CO)CN(C)C;GTEDVZFGPJAFRQ-UHFFFAOYSA-N;145.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35757;MM35757;C#CC(=C)N(O)C=O;SGFRNQCILDEDEU-UHFFFAOYSA-N;111.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35758;MM35758;C#CCC(C=NN)=NN;URHAIHDSLBKXFW-UHFFFAOYSA-N;124.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35759;MM35759;CNC(=N)C(=O)CCOC;ZVDQJJXTIJTOBS-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35760;MM35760;C#CC(=O)N(O)C=C;MOSTYQOVXNWMER-UHFFFAOYSA-N;111.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35761;MM35761;C#CC(=O)N(O)C=N;KXVQOLVTYUGBOM-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35762;MM35762;C=NN(C)C(=O)CC;VDIWXUCRAPXZNC-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35763;MM35763;NN(C=O)C=C(F)CF;ZEGZCBUQGPLWOE-UHFFFAOYSA-N;136.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35764;MM35764;C#CC(C)C(=C)CO;SIBGOBWUXCEWBI-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35765;MM35765;C#CC(C)C(=O)CO;JWQOYLZBKOLTDI-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35766;MM35766;CON(C)C(=N)NO;FOUHGAPEDLZXAS-UHFFFAOYSA-N;119.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35767;MM35767;C#CC(=O)N(C)C=NC;WLAYATMQOGEAEF-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35768;MM35768;C#CC(O)C(=C)CO;DLJASBWWYSVNCI-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35769;MM35769;C#CC(O)C(=C)CF;QKGDRQIMZOESLH-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35770;MM35770;C#CC(O)C(=O)CF;RTBZPPISNYPIDY-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35771;MM35771;CC(=O)OCC#CC=NN;SUDKGJGDAWAYCV-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35772;MM35772;C#CC(F)C(=C)CO;WYAYSSPIUBUOOS-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35773;MM35773;COC(=O)C#CCC=NN;XPRPQIPWQGMHCQ-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35774;MM35774;C#CC(=NC=N)N(C)N=C;LIYSTHLAAHDSDZ-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35775;MM35775;CC(=NCCN)N(C)O;HUKHVCQPYMNIPT-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35776;MM35776;C#CC(C)C(=O)NC;ZNCAMCXYHVWEQS-UHFFFAOYSA-N;111.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35777;MM35777;CNC(N)=C(C#N)C=CF;PGRGIVNSNHUTOP-UHFFFAOYSA-N;141.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35778;MM35778;C=COC(C)(C)C(=N)NO;UFBPHDZEVMXKRG-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35779;MM35779;CN=CNC(=N)C#N;PLSFWAUBAPFXAK-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35780;MM35780;COC(C=NO)=NNC=N;PAFWAIMSMBFAMF-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35781;MM35781;C=C(F)CN(N)C=NO;QUBWTMSXUIFKNW-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35782;MM35782;C#CC(O)C(=O)NN;FAPNUVPOUZYVKW-UHFFFAOYSA-N;114.1;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35783;MM35783;C#CC(O)C(=O)NO;RYTDIRSRTPONQJ-UHFFFAOYSA-N;115.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35784;MM35784;C#CC=CC(=NO)N(C)N;KOTQCOZTDYRNJZ-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35785;MM35785;CCN=C(C=NO)N(C)N;GKABBVISKWPIRX-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35786;MM35786;C#CC(F)C(=O)NC;SBDIKQPXXHIZBA-UHFFFAOYSA-N;115.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35787;MM35787;CC=CC(C#N)=C(N)OC;TUWPMHFKIIWGAF-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35788;MM35788;C=CC(OCC#N)ON=C;HXDKBOLFMSYMGZ-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35789;MM35789;C#CC(O)C(=C)OC;GDYKHQCCHWLUDV-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35790;MM35790;C#CC(O)C(=O)OC;OBCFKQWEENWCSJ-UHFFFAOYSA-N;114.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35791;MM35791;C#CC(F)C(=O)OC;UDHDVRWWRQADIO-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15582;MM15582;C#CC(C)C(=O)C=O;ODQDXAGGLDNBIF-UHFFFAOYSA-N;110.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35792;MM35792;CCNN=CC(OC)OC;PDHCILPDXPHEAV-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35793;MM35793;C#CC(O)C(=C)C=C;MEOSOUZXANBMDA-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35794;MM35794;C#CC(O)C(=C)C=O;XDKDLLCATMNRQX-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35795;MM35795;C#CC(O)C(=C)C#N;KWSIPIKVEPEXSK-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35796;MM35796;C#CC(O)C(=O)C=C;HZIPKRICVGGEHZ-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35797;MM35797;C#CC(O)C(=O)C=O;UXJWCKOMQOFTJI-UHFFFAOYSA-N;112.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35798;MM35798;C#CC(O)C(=O)C#N;AUBPEPXENCLIPP-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15550;MM15550;C#CC(F)C(=O)C=O;OQQLWCXHRXPNMS-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15954;MM15954;C#CC(F)C(=O)C#N;QCNUZTKCEAHEOO-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35799;MM35799;C=NOC=NN(C=O)CC;XQYKAVACPLVVEG-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35800;MM35800;C#CC(=C)C(O)C#C;WJDZAQKJLHSYMT-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35801;MM35801;C#CC(=O)C(O)C#C;VOYDKCZSWIRWDK-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15696;MM15696;C#CC(=O)C(F)C#C;FUGZZWPKGVAAFA-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35802;MM35802;CON=CC=COCC#N;USXKFZGYXYAZCE-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35803;MM35803;C=NN(C=O)CCC;HDWOVCIXNRWHSY-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35804;MM35804;C=C(CO)C(=C)CO;NGSMUAAAVWCHJL-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35805;MM35805;C=C(CC)C(=O)CO;ZOQHFQAFWQNPGW-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35806;MM35806;C=C(CO)C(=O)CC;UZAQXZVEBNOYIT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35807;MM35807;N#CC=C(N)OCCF;DHRRAYVVMQQNCE-UHFFFAOYSA-N;130.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35808;MM35808;CN(N)C(C=CCF)=NO;KUQOCBWHCGENRF-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35809;MM35809;C=C(CC)C(=O)NO;VOVOPDDMXWSKNO-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35810;MM35810;C=C(CF)C(=O)NC;GNMXVLRTDANUEA-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35811;MM35811;C=CN(N)C(=O)N(C)C;ZLWBUWUZJPKCMP-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35812;MM35812;N=C(NN)C(=N)NO;WDSUWEOLSLOADQ-UHFFFAOYSA-N;117.11;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35813;MM35813;CNC(=O)C(=O)CF;VQMYMECEHJPHML-UHFFFAOYSA-N;119.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35814;MM35814;C=C(OC)C(=O)CO;JRWNEKOGGWEAPU-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35815;MM35815;COC(=O)C(=O)CF;IZJWUPAJEFJGHC-UHFFFAOYSA-N;120.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35816;MM35816;C#CCNN=C(C)C#C;NTHYFGWXKRYAFJ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35817;MM35817;C=NN(C)C(=N)OC=O;UTRCAEVGVOSXIJ-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35818;MM35818;CC(N)=CC(=NO)N(C)N;ZIQDZXHVIJNXFD-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35819;MM35819;C#CC(=O)N(C=O)NC;SCZXXLPOLVNDTC-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35820;MM35820;CN(N)C(C=CN)=NO;AFOBHMXCBVZCQF-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35821;MM35821;C#CC(C)(N)C(=C)CO;JLXWCXUPOMYPJJ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35822;MM35822;C#CC(C=C)C(=O)CNC;UAGSEBNKOROKPL-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35823;MM35823;CN=C(N)C(=O)NO;NEXGFODCLXUZBP-UHFFFAOYSA-N;117.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35824;MM35824;CCONC(=NO)N(C)C;BBSNTYOISUFHAK-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35825;MM35825;NN=C(N)C(=O)NO;BLVUZJARRNHBOF-UHFFFAOYSA-N;118.1;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35826;MM35826;C=CC(=NC=N)N(O)C=C;RAJXPTCIFYRFBG-UHFFFAOYSA-N;139.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35827;MM35827;CN=C(CC(C)O)NOC;JCXFXTWDRBGITA-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35828;MM35828;CNC(=O)C(=O)NC;IPZCJUOJSODZNK-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35829;MM35829;CNC(=O)C(=O)NO;HKADIEQLJBBNLE-UHFFFAOYSA-N;118.09;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35830;MM35830;NNC(=O)C(=O)NN;SWRGUMCEJHQWEE-UHFFFAOYSA-N;118.1;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35831;MM35831;NNC(=O)C(=O)NO;HXHKSDXFNKJKTB-UHFFFAOYSA-N;119.08;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35832;MM35832;CC(=NC(C)C)N(N)C=O;FYCNFUINRFGSHL-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35833;MM35833;COCCOC(N)=CC#N;LJPIXVASEAGZJC-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35834;MM35834;C#CCC#CCNCCO;CTOMNVSCXFUXAW-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35835;MM35835;C=NOC(=NOC)N(C)C;COMZHKVYBRUNIH-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35836;MM35836;C=C(OC)C(=O)NC;OWOYGRQWFNRYGB-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35837;MM35837;C=C(OC)C(=O)NO;DZYCWJMVOAXWRD-UHFFFAOYSA-N;117.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35838;MM35838;CNC(=O)C(=O)OC;BOUBGTOCRMNMLJ-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35839;MM35839;COC(=O)C(=O)NN;FJIXKJZGSRJXOZ-UHFFFAOYSA-N;118.09;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35840;MM35840;COC(=O)C(=O)NO;AHEKOAICERZYMC-UHFFFAOYSA-N;119.08;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35841;MM35841;C=C(OC)C(=O)OC;BTTXESIFAHCXMK-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35842;MM35842;COC(=O)C(=O)OC;LOMVENUNSWAXEN-UHFFFAOYSA-N;118.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35843;MM35843;C=C(C=O)C(=C)CO;QDYWVBWAUPALKI-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35844;MM35844;C=C(C#N)C(=C)CO;VXYNYZWMULQYHK-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35845;MM35845;C=C(CC)C(=O)C#N;UJYAPERMAWASTA-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35846;MM35846;C=CC(=O)C(=C)CO;NREVWTQNSSTEJY-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35847;MM35847;C=C(CO)C(=O)C#N;LSUHIUUERAEXKG-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35848;MM35848;C=C(CF)C(=O)C=O;JOICSOVDZIBLEM-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35849;MM35849;C=C(CF)C(=O)C#N;UGPCPAHEPPOTOL-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35850;MM35850;C=CC(=C)C(=O)CC;ROPXIGBWZZNJME-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35851;MM35851;C=C(C#N)C(=O)CC;ACHFVIFEJVXHQA-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35852;MM35852;C=CC(=C)C(=O)CO;PMBHVIWYTFSMCZ-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35853;MM35853;C=C(C=O)C(=O)CO;JFJLRGJIFFNMRT-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35854;MM35854;C=C(C#N)C(=O)CO;MXSJVUAKATWRDI-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15741;MM15741;C=C(C=O)C(=O)CF;DJYMYLAGVHGKMY-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-fluoro-2-methylidene-3-oxobutanenitrile;MM02237;C=C(C#N)C(=O)CF;OYMZUYDZVBELNL-UHFFFAOYSA-N;113.09;0.6;141213601;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35855;MM35855;N#CC(=O)C(=O)CO;KKBHOCUJVVVHTB-UHFFFAOYSA-N;113.07;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15558;MM15558;C=CC(=O)C(=O)CF;QTUABNOKXPMELY-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35856;MM35856;CC#CCC(=O)N(N)C=N;PRNUSXUSEIFYEI-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35857;MM35857;C=CN(C=O)NCC#CC;FBGPULFEDGRRCB-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35858;MM35858;CNCC(=O)CC(C)F;CPVXITZNFUDMPF-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35859;MM35859;C=C(C=O)C(N)=NO;WMDNFUPZBXMZJN-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35860;MM35860;C#CCN(C)C(C#N)=NC;XIWJZHKXEFQDDN-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35861;MM35861;C=COCCC(=O)CNC;SERSEUUBDUJNLX-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35862;MM35862;C=C(C=O)C(=O)NC;SEQKADQABBICQE-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35863;MM35863;C=C(C#N)C(=O)NC;BYBVZPRBTYNTPH-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35864;MM35864;C=C(C=O)C(=O)NO;QHOUHRGGEXKCHV-UHFFFAOYSA-N;115.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35865;MM35865;C=C(C#N)C(=O)NO;CDLARYCSMPHMEK-UHFFFAOYSA-N;112.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35866;MM35866;C=CC(=O)C(=O)NC;XWSFPANLTRBYSN-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35867;MM35867;CNC(=O)C(=O)C#N;OKNGXVIULFBQRW-UHFFFAOYSA-N;112.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35868;MM35868;N#CC(=O)C(=O)NO;WHRJGAZGNXVTQD-UHFFFAOYSA-N;114.06;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35869;MM35869;C=C(OC)C(=O)C#N;FPLPFHMSCDNMKA-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35870;MM35870;COC(=O)C(=O)C=O;HNQJZWBTPJGGBD-UHFFFAOYSA-N;116.07;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35871;MM35871;COC(=O)C(=O)C#N;JRLUDXADXLFJSR-UHFFFAOYSA-N;113.07;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35872;MM35872;C#CC(=C)C(=C)CO;GHWJDWFVOZPLAW-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35873;MM35873;C#CC(=O)C(=C)CO;CWGIVSXXXLCWBG-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35874;MM35874;C#CC(=C)C(=O)CO;URIOPTBAWAKEAI-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35875;MM35875;C#CC(=O)C(=O)CC;MOBOSVYXZXZSJF-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15547;MM15547;C#CC(=O)C(=O)CF;FXRCBMZISMQDFS-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35876;MM35876;CON=CCCOCC#N;QPRXMYAQGCWTPR-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35877;MM35877;COC(C=NN)OC;RKOLSHKNTFTGFQ-UHFFFAOYSA-N;118.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35878;MM35878;CN(C)CCC=O;GSZKLTJTSQMAOD-UHFFFAOYSA-N;101.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35879;MM35879;C#CC(=O)C(N)=NO;DONIAYNKOAKLIY-UHFFFAOYSA-N;112.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35880;MM35880;C#CC(=C)C(=O)NC;LXNLIXNPSMUIIM-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35881;MM35881;CN(O)C(C#N)=NNC=N;HRHXUPXBYWDHAW-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35882;MM35882;C#CC(=C)C(=O)NO;FJMXUGOERKDCBM-UHFFFAOYSA-N;111.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35883;MM35883;C#CC(=O)C(=O)NC;RQTITPVAENHHRS-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35884;MM35884;C#CC(=O)C(=O)NO;NYRLOHAVDQLJOW-UHFFFAOYSA-N;113.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35885;MM35885;C#CC(=O)C(=C)OC;ADKGQAJVCQEZEY-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35886;MM35886;C#CC(=C)C(=O)OC;SNBSINFFZARWBY-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35887;MM35887;C#CC(=O)C(=O)OC;KKCMPUAQDQGDJT-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35888;MM35888;C=C(C=O)C(=C)C=O;JSNWCPZCHAVGFO-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35889;MM35889;C=C(C#N)C(=C)C=O;JPZUJAWKPQBLIM-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35890;MM35890;C=CC(=C)C(=O)C#N;LTDOAPWGSZKNSG-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35891;MM35891;C=CC(=O)C(=C)C=O;XECNXMALDPLQBB-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35892;MM35892;C=CC(=O)C(=C)C#N;SZAMLNRBMDPZQV-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35893;MM35893;C=C(C=O)C(=O)C=O;VLZFNTDTEGBTSA-UHFFFAOYSA-N;112.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35894;MM35894;C=C(C#N)C(=O)C=O;CCJFKEUTPWFKBW-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35895;MM35895;C=C(C=O)C(=O)C#N;JNTIPPJSCLJFFO-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35896;MM35896;C=CC(=O)C(=O)C=C;MMPZYDUOPLQDHR-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35897;MM35897;C=CC(=O)C(=O)C=O;NNGZJIOYZWIJMR-UHFFFAOYSA-N;112.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35898;MM35898;N#CC(=O)C(=O)C=O;SXLSOLOJQPDGLM-UHFFFAOYSA-N;111.06;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35899;MM35899;N#CC(=O)C(=O)C#N;VKZZALQGAUWTLQ-UHFFFAOYSA-N;108.06;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35900;MM35900;C#CC(=O)C(=C)C=O;GDUBLVKIRQAUQZ-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35901;MM35901;C#CC(=C)C(=O)C=O;VLHZTZAVCKJZIN-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35902;MM35902;C#CC(=O)C(=O)C=O;ZXULIGKQYXILAH-UHFFFAOYSA-N;110.07;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35903;MM35903;C#CC(=O)C(=O)C#N;MQIVIRHNEYRCFD-UHFFFAOYSA-N;107.07;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35904;MM35904;C#CC(=C)C(=O)C#C;YQSAJKFECHFDOQ-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35905;MM35905;C#CC(=O)C(=O)C#C;YQXGWFPTOIKGRG-UHFFFAOYSA-N;106.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35906;MM35906;C=NN(C=O)C(C)(C)C;RSKRPALJGDPJEG-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35907;MM35907;CC(=C(F)F)N(N)C=O;OZBMUIKAUFAAPR-UHFFFAOYSA-N;136.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35908;MM35908;CCCN=CN(C)C=O;PPNAMWHYZFUXSO-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35909;MM35909;C=COC(C=NN)OC;LSKRMSXSWDUGRG-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35910;MM35910;CC=C(C)C(O)CO;IRGJLURNJXLEBQ-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35911;MM35911;CCCN(C=O)C=NC;YGUBHSAEADNDPM-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35912;MM35912;C=CCN(C=N)C(C)=O;FPCZWSRHOOABIA-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35913;MM35913;CC=CN(C=N)OCC=O;WJFQVKMBTMMISQ-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35914;MM35914;CN=C(NO)OCC#N;PKCJCNRSVLOIFL-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35915;MM35915;CC(=NO)C(F)CO;AEMJBUINBSUTAZ-UHFFFAOYSA-N;121.11;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35916;MM35916;CNN(C=O)C(=O)OC;CKEFRWOLBIENQI-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35917;MM35917;C=CC(=C)N(C=N)C=O;ICCXGICPGOJBHH-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35918;MM35918;C#CC=NOCON=C;SUEURYZKEZDUID-UHFFFAOYSA-N;126.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35919;MM35919;CC#CC(=NCCO)NO;SVPJYNCZXCCCON-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35920;MM35920;C=C(C)CN(C)N=COC;HYSYPMHUTQNTJT-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35921;MM35921;COC(C)C(C)=NO;WMQUYXYXIORNAV-UHFFFAOYSA-N;117.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35922;MM35922;CC(=N)NOC=NNC=N;XMJRMSIPTNNPDO-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35923;MM35923;CCN(O)C(C)=NO;SBLQBSBYWLJKBG-UHFFFAOYSA-N;118.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35924;MM35924;CCOC(C)=CN(N)C=O;NACZTFXOABLOAK-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35925;MM35925;CON(C)C(C)=NO;PCDSDOASNSHFEW-UHFFFAOYSA-N;118.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35926;MM35926;CC=C(C)C(O)C=O;QTJUUECGQHVMKE-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35927;MM35927;CC(=CF)C(O)C#N;JEKYXAUYCCGBII-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35928;MM35928;CC=C(F)C(O)C=O;FNLPUTWWDLKQFW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35929;MM35929;N#CC(O)C(F)=CF;DORDRMQORHJZGU-UHFFFAOYSA-N;119.07;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35930;MM35930;CC(=NO)C(C)C=O;CGXQBYPFYCTBNU-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35931;MM35931;CC(=NO)C(C)C#N;RLPOSNQFHOWWBW-UHFFFAOYSA-N;112.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35932;MM35932;C#CC(F)C(=NN)C(=N)N;SLWNMXXQWWNPGI-UHFFFAOYSA-N;142.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35933;MM35933;C=CC(O)C(C)=NO;VJXDXYWMEHKMSB-UHFFFAOYSA-N;115.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35934;MM35934;CC(=NO)C(O)C#N;ASRMJRSTDXAPQW-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35935;MM35935;C#CCCOC(N)=CC#N;HPJJJYBPQKZXOE-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35936;MM35936;C#CC(C#C)=CN(N)C=O;TXANDWONHKXDGM-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35937;MM35937;C=NN(C)C(=NOC)OC;FVZRYIFWMZVPNJ-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35938;MM35938;CCCN(O)C=NCC=O;OORVYXWVKLCHLV-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35939;MM35939;N#CCCNN(C=N)C=O;GIWXKGGHMZJJII-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35940;MM35940;C#CC(C#N)=CC=NNC;RORVCCJNJVNKRI-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35941;MM35941;CCN(O)C=NCC(C)=O;PTMVVGMZBQSQAS-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35942;MM35942;CNNC(=NOC)NOC;QVUCDPUPCOJQRI-UHFFFAOYSA-N;148.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35943;MM35943;COC(N)=C(C)C#N;DKMQBDODYCKLCA-UHFFFAOYSA-N;112.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35944;MM35944;CC(=NO)N(N)C=O;QJHFCEDXOZGGPO-UHFFFAOYSA-N;117.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35945;MM35945;CC(=CF)N=CNO;YAICFDCFCKNGFC-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35946;MM35946;C#CC(C)C(C)=CF;ZQDBQLNJXYDFRP-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35947;MM35947;COC=CN(N)C=O;UEWNPPBUDOQNAG-UHFFFAOYSA-N;116.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methylhex-4-en-1-yn-3-ol;MM01733;C#CC(O)C(C)=CC;ZAXQPSBQPDDXOI-UHFFFAOYSA-N;110.16;0.95;54537632;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35948;MM35948;COC(C)(C=NN)OC;OXNPNDGXQQOOIX-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35949;MM35949;C#CC(O)C(C)=NO;QHKZIZPEUQFETM-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35950;MM35950;C#CC(F)C(C)=NO;CQTPWDVXXFBPII-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35951;MM35951;CCC(=O)C(C)=CN;WXYJAPNVTUNRQN-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35952;MM35952;CC=C(C)C(=O)CO;CVEZPJJIWFHXIR-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35953;MM35953;CC(=CN)C(=O)CO;CUWVLQJUDXBFNE-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35954;MM35954;CC(=CF)C(=O)CO;KKEHABFMOUBQLW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35955;MM35955;CCC(=O)C(F)=CN;SDMRADRPXGEDDR-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35956;MM35956;CC=C(F)C(=O)CO;FSSYEUPKTXXMFU-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35957;MM35957;NC=C(F)C(=O)CF;MTPMHXKVFZNSNI-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35958;MM35958;CCOC=CN(N)C=O;USZQEWGKXGJDFT-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35959;MM35959;C=COC=CN(N)C=O;FAPROFLDMKNCQM-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35960;MM35960;NN(C=O)C=COC=O;KRYGPRYGMRPHOS-UHFFFAOYSA-N;130.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35961;MM35961;CN=CN(OC)C(C)C=O;XHYZULAHEQDQBC-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35962;MM35962;C=CN(C=NOC)N=C;FZHNYBZVCNMIFP-UHFFFAOYSA-N;127.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35963;MM35963;C=NOCOC(=O)CCF;PGJIAWZQHNLAQH-UHFFFAOYSA-N;149.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35964;MM35964;CCN(C=N)C=NNC;GPNDLIPLGQFXOC-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35965;MM35965;CONC(=N)C(C#N)=CN;HWBQHFSGZZJNTN-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35966;MM35966;COC(C=NN)=NNC=N;REQWRSDNURAPFB-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35967;MM35967;CC=C(C)C(=O)NO;QDLZPTGXVDMZEH-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35968;MM35968;CNC(=O)C(F)=CN;BZDJDZJKISJHCL-UHFFFAOYSA-N;118.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35969;MM35969;CC=C(F)C(=O)NN;OGALOOXFQBBPLM-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35970;MM35970;NC=C(F)C(=O)NN;DNVLVJJWTUYLNB-UHFFFAOYSA-N;119.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35971;MM35971;NNC(=O)C(F)=CF;PONAORJCDUHODF-UHFFFAOYSA-N;122.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35972;MM35972;CC=C(F)C(=O)NO;JOXRWBQMSLYVPS-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35973;MM35973;O=C(NO)C(F)=CF;PEDFWWDBHKWKCF-UHFFFAOYSA-N;123.06;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35974;MM35974;CNN=CC(=N)NC=NN;JRLZOSARWPYFMD-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35975;MM35975;CCNN=CN(C=N)CC;DEZWTYURJNDOQJ-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35976;MM35976;CNC(=O)C(C)=NO;KJDXTAXSTVFOEX-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35977;MM35977;COC(=O)C(F)=CN;LTKHNISCOBDELL-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15428;MM15428;C=C(OC)C(C)=NO;JPWABCVWHXEKCF-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35978;MM35978;C=CC(=O)C(C)=CC;QVAKEGXNGLTCJR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35979;MM35979;CC=C(C)C(=O)C#N;PBMQEIVSEMRFSB-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35980;MM35980;CC(=CN)C(=O)C=O;UTOXVAJSCNHSGK-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35981;MM35981;CC(=CN)C(=O)C#N;WDJQSHATWNCTSK-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35982;MM35982;CC=C(F)C(=O)C=O;QPKPGYBEPPVUGC-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35983;MM35983;NC=C(F)C(=O)C=O;LOJZBWIXNSZJDA-UHFFFAOYSA-N;117.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35984;MM35984;N#CC(=O)C(F)=CN;QGYSEUVVCYBLIX-UHFFFAOYSA-N;114.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35985;MM35985;C=C(C=O)C(C)=NO;QTGZXBCWHGSKJG-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35986;MM35986;C=CC(=O)C(C)=NO;LZIQDUHQGIIHID-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35987;MM35987;CC(=NO)C(=O)C#N;OKNNPLMUVJLLID-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35988;MM35988;C#CC(=O)C(C)=CN;YFBIVXKMFGAZGB-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35989;MM35989;C#CC(=O)C(F)=CN;KWKGOYNINBZJGO-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35990;MM35990;C=CC(C#N)(C=O)N(C)C;HVICFUCJUWIPCS-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35991;MM35991;C=CCOC=CN(N)C=O;XLGPEGWNTWBGCB-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35992;MM35992;C#CCOC=CN(N)C=O;DCWQSFMLVCGGOL-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35993;MM35993;CC(=NO)C(F)=CN;YRVYFMKCZQSPLR-UHFFFAOYSA-N;118.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35994;MM35994;CNN=CNN(C)C=O;WVLZFQXHAFTSPA-UHFFFAOYSA-N;130.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35995;MM35995;CC(=NO)C(C)=NO;JGUQDUKBUKFFRO-UHFFFAOYSA-N;116.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35996;MM35996;C=NOCON(C=O)C=O;MGSLJKWJFQIRSO-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35997;MM35997;COC=NN(C)C;CKCYLNNVFZCUBU-UHFFFAOYSA-N;102.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35998;MM35998;COCC=NOC;CCOQIXOBEXQKGR-UHFFFAOYSA-N;103.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM35999;MM35999;CC(CO)=C(F)CO;JIYUYIJKEWJQGY-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36000;MM36000;C=COCC=NOC;ZKVCFDDREIWGDF-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36001;MM36001;CCN(C(C)=O)N(C)C;JIZDSKTWESBDLV-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36002;MM36002;OCC(F)=C(F)CO;LKWLDHFUFZAPTA-UHFFFAOYSA-N;124.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36003;MM36003;C=NOCC(C#N)CF;BWCIPIUWXUUEKW-UHFFFAOYSA-N;130.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36004;MM36004;COC(C)=C(F)CO;MEAWMIQOBUSMGP-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36005;MM36005;COC(C)=C(C)OC;XZJSFQBZASHSPF-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36006;MM36006;CC(C=O)=C(C)CO;SKEMHNMVWUTZMT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36007;MM36007;C=NOCOCCC#N;PINBLHPWWDXVJA-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36008;MM36008;CC(CO)=C(F)C=O;KBBWFIRHFQLBDI-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36009;MM36009;CCC(N)=C(C)C=O;ZCNBREYKMDOXQQ-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36010;MM36010;CCC(N)=C(F)C=O;ONHJBMSKJHMKME-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36011;MM36011;C#CC=CC#CC=NN;MWYVXNKTBGVEPI-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36012;MM36012;N#CC(F)=C(N)CO;BMCSYDCJLSVMCL-UHFFFAOYSA-N;116.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36013;MM36013;NC(CF)=C(F)C=O;YKZTULWEQUWZAY-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36014;MM36014;CC(C#N)=C(F)CO;RLLNDWLATPWKMK-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36015;MM36015;N#CC(F)=C(F)CO;UAKKXKISKKQRLG-UHFFFAOYSA-N;119.07;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36016;MM36016;CNC(C)=C(C)C=O;AGBBDXGQGNJTLM-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36017;MM36017;CNC(N)=C(F)C=O;CRIXRRGKNJQQSL-UHFFFAOYSA-N;118.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36018;MM36018;CCCC(=O)N(C)C=NC;SJLYSHMFAIJXSC-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36019;MM36019;COC(C)=C(C)C=O;VYLJTMPKJSLFRZ-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36020;MM36020;C#CC(=N)N(C)C(=O)C=C;JJUASSABPKOMSE-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36021;MM36021;COC(N)=C(F)C=O;BVYCCTMULCEMOX-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36022;MM36022;C#CC(F)COCON=C;QMWVXKGZXHGKSC-UHFFFAOYSA-N;145.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36023;MM36023;COCCNN=C(C)CF;FQPLXTLFIWMBSP-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36024;MM36024;C#CC(F)=C(F)CO;MTYXOSHNERFEIT-UHFFFAOYSA-N;118.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36025;MM36025;C=CC(N)=C(C)C=O;YLBCOONZXTZXSG-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36026;MM36026;C=NN=C(OC)N(C)N=C;QFCOGJQACQEONI-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36027;MM36027;NC(C=O)=C(N)C=O;QEBFJCGROHKCLK-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36028;MM36028;CCOCC(=NN)NC;GTMSUSYAARISIW-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36029;MM36029;NC(C=O)=C(F)C=O;BVIDQKYREHQADP-UHFFFAOYSA-N;117.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36030;MM36030;N#CC(N)=C(F)C=O;JAKYRBSTVCUBJQ-UHFFFAOYSA-N;114.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36031;MM36031;N#CC(F)=C(N)C=O;FYZOREQMEKYPQN-UHFFFAOYSA-N;114.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36032;MM36032;N#CC(N)=C(F)C#N;QZJLBLMUDWEWHD-UHFFFAOYSA-N;111.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36033;MM36033;O=CC(F)=C(F)C=O;LSLQQRSKACUCPR-UHFFFAOYSA-N;120.05;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36034;MM36034;N#CC(F)=C(F)C=O;ALFCGCWTZAQHPV-UHFFFAOYSA-N;117.05;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36035;MM36035;N#CC(F)=C(F)C#N;HGVFAVGVGMJBLT-UHFFFAOYSA-N;114.05;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36036;MM36036;C#CC(N)=C(C)C=O;YADVXZNZTCBIQS-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36037;MM36037;CCOC(C=NNC)OC;TUKWMGJQGSTHPT-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36038;MM36038;C#CC(N)=C(F)C=O;BMCUWXDSZWVFLU-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36039;MM36039;C=C(CC#N)N(C=N)C=O;LBGLZCBUTLPJQN-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36040;MM36040;C#CC(F)=C(F)C=O;HTXOWNXFOVQNJT-UHFFFAOYSA-N;116.07;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36041;MM36041;C#CC(F)=C(F)C#C;UIVNLZPAMIBLLG-UHFFFAOYSA-N;112.08;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36042;MM36042;CCC(=O)N(C)C=NC;SWQRORARNGUOHA-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36043;MM36043;C=CNC(C)=NC=NNC;JTZNXPLVTBUCEH-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36044;MM36044;CCN(C=O)NCCF;YQGCERBYFSWCGM-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36045;MM36045;COC(=NN)C(=N)N;VDKZIVNTKNWFCU-UHFFFAOYSA-N;116.12;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36046;MM36046;CCCN(C(C)=O)N(C)C;OVMURFFVVKODBC-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36047;MM36047;C=NN=CN(C)NCC#N;KNKWXFFERBFZFZ-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36048;MM36048;C=CN(C=O)NCC=CF;QEGWLNOBOHUVGW-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36049;MM36049;CCC(O)CCCO;QVTWBMUAJHVAIJ-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36050;MM36050;OC(CF)CCCF;BXERUUPHAXZDDR-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36051;MM36051;C=NOC(C)C#N;JQTPVGFZFCDCAZ-UHFFFAOYSA-N;98.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36052;MM36052;CCC(F)CCCF;YGUZXYCPWNMFFN-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36053;MM36053;C#CC=CN(N)C=O;JZESQHGNOQLGJF-UHFFFAOYSA-N;110.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36054;MM36054;OCC(F)CCCF;IXDMTPDUANJQRM-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36055;MM36055;C=NN(C)C=C(F)C=O;DZPJVBCFFTWOME-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36056;MM36056;OCCCC(F)CF;RQERSJLZOVDXSP-UHFFFAOYSA-N;124.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36057;MM36057;CC(F)=CN=C(N)C=O;PEAAAIZMGUTYNU-UHFFFAOYSA-N;130.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36058;MM36058;CC#CC(=NN)NN;VWGDQJKLCYRIJG-UHFFFAOYSA-N;112.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36059;MM36059;CC#CC=CN(N)C=O;HILHGWMOIZHJAW-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36060;MM36060;CNN=CC=C(F)C=O;ZWSIYPADOHYVTB-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36061;MM36061;COC(=O)CC#CC=NN;MJCLMGSIMKZERK-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36062;MM36062;C=CCOC(=N)NC=NN;QPJZAOBDGSRXDP-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36063;MM36063;CCN=CN=CN(C)C=O;IKHQDAMMVJLWCB-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36064;MM36064;NN(C=O)C=CC#CCF;HCPPITHUUGIFQM-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36065;MM36065;C=CC#CC=CN(N)C=O;YBUCFLYWFXRWHY-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36066;MM36066;C#CCOC(C#C)C=NN;KGIGDUHDYIUPDH-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36067;MM36067;CN(N)C(C=CF)=NO;BGOJHKFFBRQVLN-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36068;MM36068;CON(C=NC=N)CC#N;RBVUJTQYVGEKDR-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36069;MM36069;COC=CC(=NO)N(C)N;KJJRCUQTFPCDBU-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36070;MM36070;COC(N)=CC#N;BTKZRAFVPJOBAI-UHFFFAOYSA-N;98.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36071;MM36071;CCOC=NN(C)C;JZCFXQNDKNAGLM-UHFFFAOYSA-N;116.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36072;MM36072;CON=CC(C)OC;ZARODGHVFHHWQB-UHFFFAOYSA-N;117.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36073;MM36073;CCN(C)N=COC;JIIMUAGETDWEPI-UHFFFAOYSA-N;116.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36074;MM36074;CC=NN(C)C(=N)C=O;XRGRGYXJWCJITM-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36075;MM36075;CCOCC(O)CF;ONQJBAVETNJHPZ-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36076;MM36076;CN(C)C(C#N)CC#N;XPJQXPDDPHWTRP-UHFFFAOYSA-N;123.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36077;MM36077;CCOCC(F)CO;XVBGUTTUBWJIAQ-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36078;MM36078;C#CC(C#N)(CF)N(C)C;GZJZHMQONIKQKM-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36079;MM36079;CN(C)C=CC(=NO)NO;QSTDMOPZMPSRBJ-UHFFFAOYSA-N;145.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36080;MM36080;C#CC(F)=C(C)N(N)C=O;XTKQALWHKGKCSC-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36081;MM36081;C=CN(C)C(C)=NC=NN;XRZJIJKTFUZXRP-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36082;MM36082;C=NOCC(=C)C(=O)C#N;BVSIPWRNVMAVAT-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36083;MM36083;CC(CO)OCCF;ZINMQWXTILDEJT-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36084;MM36084;CC(CF)OCCO;UVNCWAKMNPDIKV-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36085;MM36085;CCC(C)OCOC;XGWWYGIQJRUZSB-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36086;MM36086;C=NOCOC(C#N)=CC;NXTQEAAPKGSTAA-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36087;MM36087;COCOC(C)CF;LPDZQOHQOPFPAS-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36088;MM36088;C#CC(CF)N(C)CC#N;PCJMFYIOVIJVMG-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36089;MM36089;COC(C)OCCO;GQVOQRNSCLWRMG-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36090;MM36090;COCOC(C)OC;WWCNLNQZQKCYHI-UHFFFAOYSA-N;120.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36091;MM36091;C#CCC(=C)N(C=N)C=O;YYGMMFJHXJCHAD-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36092;MM36092;CC(CF)CN(N)C=NO;KWRFKYFZTIOXDE-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36093;MM36093;N#CC=CN;RORTUEWWZUJHTM-UHFFFAOYSA-N;68.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36094;MM36094;NN(C=NO)CCCCF;ZNXGUVALNPAXDM-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36095;MM36095;CN(N)C(C=C(N)N)=NO;OCHXHFZPFDVFTI-UHFFFAOYSA-N;145.17;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36096;MM36096;CC(CF)CCC=O;CKNKGPOKWHLVLY-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36097;MM36097;C#CCCCN(N)C=NO;GRYXOOSJAFDMRE-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36098;MM36098;C=CC=CN(N)C=O;BCRFQZARBHRCKB-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36099;MM36099;CCC(O)CCC#N;LBIZNKINTCCMEK-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36100;MM36100;N#CCCC(O)CO;LXMYVWURYXHCRU-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36101;MM36101;N#CCCC(O)CF;TZCGZXZGQANEMY-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36102;MM36102;CCC(F)CCC=O;JZMRBHNWLNJRFX-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36103;MM36103;CC(C)OC=NN(C)C;AWWISWDFSALIMN-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36104;MM36104;N#CCCC(F)CO;OPVQSJXBZVUORX-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36105;MM36105;CC(=CN(N)C=O)CF;VTTNLUPNXBVNSG-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36106;MM36106;CC(C)N(C)N(C)C=O;XHECXULPJZYIRC-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36107;MM36107;C#CC#CC(N)C(F)CN;VSWSLKPPZVCKIV-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36108;MM36108;C=NN(CC#N)CCF;BHIPDDVBHSZEIA-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36109;MM36109;C=CCC(C#N)=C(C)N;WXWFMVVRLBSKIA-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36110;MM36110;C=CCCN(N)C=NO;YTQDTSTVWZTWSC-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36111;MM36111;CCC(O)CNC=O;BBUOPHQPUSGSSU-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36112;MM36112;CNN(C=O)C=CC#N;KCZGQUIPEAWIHU-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36113;MM36113;C#CC(F)=CN(N)C(C)=O;ANPAMBKTHLUGLV-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36114;MM36114;C=NN(C)C(=N)OC(C)=O;GATIPTZRGCTQIC-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36115;MM36115;C=COC(CC#N)ON=C;UTVQPINZEITVQG-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36116;MM36116;C#CCC(COC)=NNC;XHQVUUIPOIGTME-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36117;MM36117;C#CC(F)C=CN(N)C=O;HIRAQYVQQMXYHR-UHFFFAOYSA-N;142.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36118;MM36118;C#CC(=C)C=CN(N)C=O;CFSXMSKJLRCJNJ-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36119;MM36119;C=C(N=C(C#N)NC)OC;MYLPCFFHUKZTIR-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36120;MM36120;CC(=NO)N(C)N;MVBIYXXNEHLIJZ-UHFFFAOYSA-N;103.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36121;MM36121;CC=CCC(=O)N(N)C=N;RJBADIGXWYKWOQ-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36122;MM36122;COC=CC=CN(N)C=O;FZIQEUCUXDDDHJ-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36123;MM36123;CC(CO)COC=O;GHZFLTYKIOODAR-UHFFFAOYSA-N;118.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36124;MM36124;CC(CF)COC=O;CYVHPIPFKXUTAU-UHFFFAOYSA-N;120.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36125;MM36125;C#CCN(C=C)C(=N)C#N;LKLYXHULEZMHFK-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36126;MM36126;CCC(O)COC=O;MHFOHBLKZMXGRZ-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36127;MM36127;C=COCC(O)CO;LANDRZNMJOEVQO-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36128;MM36128;C=COCC(O)CF;FJTOBQLRECOFFS-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36129;MM36129;CC=NN(C=N)C(=N)OC;ZYXOKMJMIHSKBC-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36130;MM36130;C=COCC(F)CO;LOGDHEAOIUJEKZ-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36131;MM36131;C=NN(C)C(CF)=NOC;RSJDNDLQQPLJJC-UHFFFAOYSA-N;147.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36132;MM36132;N=CN(N)C(C=NN)=CN;JNAKTVVOROFFBJ-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36133;MM36133;CC#CC=C(C#N)C(=N)N;NEWNDHHUXZPSIM-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36134;MM36134;CCCN(C=O)NCCF;XUHKBSPASLYDOY-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36135;MM36135;CN=C(C(=O)C#N)N(C)C;FKOYEWHHXAMYOK-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36136;MM36136;N#CCOC(C#N)C(=N)N;AMJOBQSIKYUZBE-UHFFFAOYSA-N;138.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36137;MM36137;CCCC(C=NO)NC;WYDWFAXMDCPCHP-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36138;MM36138;C#CCN(C)C(C#N)CF;OGBUXJUHHUFGOI-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36139;MM36139;CC(CO)OCC=O;CEZPHHZFQQICGR-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36140;MM36140;CC(CO)OCC#N;FJUUUJOPVYGFAC-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36141;MM36141;COC(C)OCC=O;CHAJELYHSSVQSM-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36142;MM36142;COC(C)OCC#N;VTRCECCTFARPQM-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36143;MM36143;CCC(C)ONC=O;IEMUVZCTESVCAC-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36144;MM36144;C#CCC(=O)N(C=C)C=N;BAOJLSRZECDMCF-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36145;MM36145;COC(C)ONC=O;MYWLCYNAFYSRDA-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36146;MM36146;CC=CN(N)C=O;YTLUHTHYMGCEEK-UHFFFAOYSA-N;100.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36147;MM36147;CC(C)=CN(N)C=O;VKCPMYRNBPDPLM-UHFFFAOYSA-N;114.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36148;MM36148;C#CCOC(C)CO;JVSJDKRMKRFRBT-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36149;MM36149;C#CCOC(C)OC;IVEGJVLHOXHTQJ-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36150;MM36150;CN=C(NO)NN=CC#N;GELLVDAZXLCAJS-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36151;MM36151;CC(C=O)CCCF;HNQGFRXYJNZELW-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36152;MM36152;CCOC(=O)N(C)N;GFIGIXMFDHSXBF-UHFFFAOYSA-N;118.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36153;MM36153;CNNC(=NO)NOC;KOKGPXGNURMNJF-UHFFFAOYSA-N;134.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36154;MM36154;CCC=CN(N)C=O;AJVXHLLMJXXFLY-UHFFFAOYSA-N;114.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15362;MM15362;C=CC(O)CCCF;PURFLYXFTZATMC-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36155;MM36155;CCCCC(O)C=O;BRZMRZVKWQWYPJ-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36156;MM36156;N#CC(O)CCCF;LKVGRBYFWOORGI-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36157;MM36157;N#CC(F)CCCO;UZQGJNUKHDOPRF-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36158;MM36158;N#CC(F)CCCF;PVVDZDZVTZQXBR-UHFFFAOYSA-N;119.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36159;MM36159;CCC(CN)=NO;ZKXATNJWJCHNJR-UHFFFAOYSA-N;102.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36160;MM36160;N=C(N)C(F)(F)C=NN;CXAJJVUQGCNRIV-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36161;MM36161;CN=C(N)C(=O)NN;DFSOHSGMSVBDAL-UHFFFAOYSA-N;116.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36162;MM36162;CC=NOC=NN(C)C;VGTGOTXYZVHOOD-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36163;MM36163;CC(C)C(=O)N(N)C=N;RZPDCJOQKKUOLL-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36164;MM36164;C=CC(O)CCOC;PPYRUZWNZYDDGK-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36165;MM36165;COCCC(O)C#N;SSBRELYFWXEDPN-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoro-4-methoxybutanal;MM02687;COCCC(F)C=O;ZKRYWSACVKKMSJ-UHFFFAOYSA-N;120.12;0.56;55266746;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36166;MM36166;CC#CC(N)C=CC=NO;MZLMBZWOPCUQLN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36167;MM36167;C=CCOC(=O)N(C)N;BEIAUMGEPFWMPX-UHFFFAOYSA-N;130.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36168;MM36168;C#CCOC(=O)N(C)N;YKGOOFHHRQGQSC-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36169;MM36169;CCOCC(C)C#N;WQYNBFXFAIAGOA-UHFFFAOYSA-N;113.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36170;MM36170;C=CC(O)COCC;HJXVEZGYFJJKIH-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36171;MM36171;CCOCC(O)C#N;SOZMIWLOWUTYAB-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36172;MM36172;CCOCC(F)C#N;NUORKJBFUTWFKX-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36173;MM36173;C=CCNCC(F)(F)CO;BUZABWIBXBPVRN-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36174;MM36174;COCC=CN(N)C=O;HYTDZLUUFBOCAW-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36175;MM36175;C#CCC=CN(N)C=O;XESFHEKCQNGFGP-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36176;MM36176;CC(C#N)OCCO;UUJUGQBUEQNAOW-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36177;MM36177;C=CC(C)OCOC;JPKRLSDUXIBEFV-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36178;MM36178;COCOC(C)C=O;DCVYJILSQVNHOZ-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36179;MM36179;COCOC(C)C#N;VYGVPACNXGCNBI-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36180;MM36180;CN=CN=CN(C)C=O;BDFBBJUKOXTGAD-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36181;MM36181;C=C(C#CC=NN)OC;VDLAFTCIAJAYGY-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36182;MM36182;C#CCN(N)C(=O)OC;NELXTXWXVLTLKJ-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36183;MM36183;C=NOC(C#N)COC;OIVVAKVFJPBMQA-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36184;MM36184;CN(C)C(C=O)=NC=N;SAYGZWSKMBZDIM-UHFFFAOYSA-N;127.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36185;MM36185;CCCCN(O)C=O;YMKXVBLAUNVKPB-UHFFFAOYSA-N;117.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36186;MM36186;O=CN(O)CCCO;GTHQNPHHHCUKIX-UHFFFAOYSA-N;119.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36187;MM36187;C=C(C)N(C=N)C(C)=O;BRBDTSKBNLPQIZ-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36188;MM36188;C=NN(C=O)CCCC;OLSWVIDXJIMTQR-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36189;MM36189;CNN=CCOCC#N;UPYAVDTZBKJWCY-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36190;MM36190;CN(N)C(=O)OC(C)(C)C;IHMQNZFRFVYNDS-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36191;MM36191;COCON(C)C=O;YIFSTWMXJSYLCH-UHFFFAOYSA-N;119.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36192;MM36192;CC(C=O)CCC#N;WZGRZLPEJDJMAI-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36193;MM36193;CC(C#N)CCC=O;WGEDMSFSONCGSF-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36194;MM36194;CC(C#N)CCC#N;FPPLREPCQJZDAQ-UHFFFAOYSA-N;108.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36195;MM36195;C=CC(O)CCC=O;YIZRARSWIQQYMC-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36196;MM36196;C=CC(O)CCC#N;ZIHFNGFYWKYAIX-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36197;MM36197;C=CCCC(O)C=O;BDNIGNBCHPUITD-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36198;MM36198;N#CCCC(O)C=O;BGOGJLUCOJZCSM-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36199;MM36199;N#CC(O)CCC=O;AGFFJDNKJRNEJK-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15737;MM15737;O=CCCC(F)C=O;STSBINGKVQBJFW-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15642;MM15642;N#CCCC(F)C=O;IBUROICDQMJCFI-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36200;MM36200;N#CCCC(F)C#N;DOPLIGFVVHRVFK-UHFFFAOYSA-N;112.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36201;MM36201;CC(C)COC(=O)N(C)N;MZLFOVPGMDJTOM-UHFFFAOYSA-N;146.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36202;MM36202;CC(C#N)CNC=O;QAIGDQJYBMYEEI-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36203;MM36203;C=C(C)COC(=O)N(C)N;LTXOREVLMJJICX-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36204;MM36204;C=CC(F)CNC=O;ROSUOBQGXRQNRP-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36205;MM36205;C=NN=C(NN)N(O)CC;OPYYQXOIKGBWLG-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36206;MM36206;N#CC(F)CNC=O;LLCBWKGQZLEQQE-UHFFFAOYSA-N;116.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36207;MM36207;C=NOC(C)OC=CC#N;YFKMGBSIZCTVCD-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36208;MM36208;COC(=N)N(O)C(C)C;ARPVOTAYDSZRGR-UHFFFAOYSA-N;132.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36209;MM36209;C=CCCOC(=O)N(C)N;DNJCNRWIORKICM-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36210;MM36210;C=CCN(C(C)=O)N(C)C;SNLKIRIJRPTRMP-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36211;MM36211;C#CC(N)(C#C)C(=O)NC;YWDYESYIKGXBOS-UHFFFAOYSA-N;136.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36212;MM36212;C=COCC(C)C#N;BKFQKYCFZWTUSN-UHFFFAOYSA-N;111.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36213;MM36213;CC(C=O)COC=O;BMHRINJVNTUSNT-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36214;MM36214;CC(C=CN(N)C=O)CF;IOQKZEFARZIHOJ-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36215;MM36215;C=CC(O)COC=O;DLPNYKZTMBRGLC-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36216;MM36216;C=COCC(O)C=O;SMGZWUYRJNBWEH-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36217;MM36217;C=COCC(O)C#N;HSRRPPKQYKKVMW-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36218;MM36218;CCCN=C(NN)NC=O;XTUKZRRXOPTHGS-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36219;MM36219;C=CC(C)=CN(C=N)C=O;BVAMRGLQOVCCLR-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36220;MM36220;CCN(C)C(=NOC)NO;FBCKMQIKDGGSIR-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36221;MM36221;CN=C(C(C)C#N)N(C)O;LKENNRDETRPYEK-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36222;MM36222;NN(C=O)C=CCCCF;NWUSIDVXXLCVLX-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36223;MM36223;CCC(=NC(C)=N)N(C)O;REFKTDUUEXOTAK-UHFFFAOYSA-N;143.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36224;MM36224;COCCC=CN(N)C=O;YZYGKUGUZWFUBT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36225;MM36225;C=COCC=CN(N)C=O;PQBYIYPKHAFHBD-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36226;MM36226;CC(C=O)OCC=O;NDYJQPGWGZLYIU-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36227;MM36227;CC(C=O)OCC#N;VFYSZABMAXVLMN-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36228;MM36228;CC(C#N)OCC=O;RQFGUUIRYSDLME-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36229;MM36229;CC(C#N)OCC#N;BHRYEVJXVUWGIK-UHFFFAOYSA-N;110.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36230;MM36230;C=CC(C)ONC=O;LPKOTAFHFJOQTH-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36231;MM36231;CC(C#N)ONC=O;SFRJSBICUVJZNG-UHFFFAOYSA-N;114.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36232;MM36232;C=NN(C)C(=NC=N)OC;AGKLCGZGKSUEMZ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36233;MM36233;CCC(C=O)N=CN(C)O;MANXQQOKMJMOIY-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36234;MM36234;C=CC(C#N)OCON=C;JOASHUDEINPHFY-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36235;MM36235;CC=NOCC(C#N)OC;GCIYICUCNWOUEP-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36236;MM36236;C=CN(N=C)C(C)=NOC;JUEMWZBHBYGUHC-UHFFFAOYSA-N;141.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36237;MM36237;C=CN(N)C=O;QDYIUOZEMQGZJA-UHFFFAOYSA-N;86.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36238;MM36238;COC(=O)N(C)N;HPCAWBCCCGEMIU-UHFFFAOYSA-N;104.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36239;MM36239;N#CCCN(O)C=O;AFHYUTIBDNMMDD-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36240;MM36240;CON=C(C)CCF;CZICJCKOYUBHTA-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36241;MM36241;CN=CN(C)C(C)=O;VVDXMZHZNMAXJS-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36242;MM36242;CC(F)=C(C)N(N)C=O;LYPWGDNGVPTERV-UHFFFAOYSA-N;132.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36243;MM36243;CN(C=CF)C(=N)C#N;MAWKUHVEJFOFPK-UHFFFAOYSA-N;127.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36244;MM36244;C=NOC(CC#N)ON=C;BIKABQNDTXOQRR-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36245;MM36245;C=CCON(C)C=O;JKKMDZQHAHOHBT-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36246;MM36246;CN(C=O)OCC#N;BXTKAXSZZCDQPJ-UHFFFAOYSA-N;114.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36247;MM36247;C#CCCC(O)C=O;MPRUTYUOFQYNCE-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36248;MM36248;C#CCCC(O)C#N;DLIQGBCVBVRLSD-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36249;MM36249;C#CC(=C)C(=N)N(C)C=O;QETDGEODXUCEAU-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36250;MM36250;C=NN=CN(C)C=COC;SQYFALNHFWPMGL-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36251;MM36251;C#CCOC(C)C=O;YJOOUYWNMYKHNP-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36252;MM36252;C#CCOC(C)C#N;UOECXSBIBKGLAX-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36253;MM36253;C=CCNN(C=O)C=CF;VIUMUKJYGIRZIA-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36254;MM36254;CON=CCCC#N;IUXXXEAORYAICB-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36255;MM36255;C#CCCN(O)C=O;REMDMIRQDWLEME-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36256;MM36256;CN(C)CC(F)(F)C#N;KHBVTCYXARPJKL-UHFFFAOYSA-N;134.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36257;MM36257;C#CCON(C)C=O;GQYQHRLNFSFGKL-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36258;MM36258;C#CC(O)CCCO;BPSONDUGVSHEJH-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36259;MM36259;C#CC(O)CCCF;OLORJQMQKSLVKA-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36260;MM36260;CCCOC=NN(C)C;CNAYNPAKBDVMFQ-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36261;MM36261;C#CC(F)CCCO;ONOFAVDSVSHVPL-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36262;MM36262;C#CC(F)CCCF;NFSLMWLGELXRCO-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36263;MM36263;C=NOC(C)(C)OCC#N;HVZKTPAXWZRHNZ-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36264;MM36264;C#CC(O)CCOC;MMYXUNNSFGJRNQ-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36265;MM36265;CCOC(C)(C=NN)OC;FCZXZCNMXFQSKD-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36266;MM36266;C=NOC(=N)N(C)N=CC;JGDYRUPSHAUGRM-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36267;MM36267;C#CC(O)COCC;WJKBTZAUCODSFU-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36268;MM36268;CC=NN(C)C(N)=CC#N;BCJXUKBXKSPYDJ-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36269;MM36269;C#CC(C)OCCO;XKMAZQHWFLGMFN-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36270;MM36270;C#CC(O)CCC#N;WVSHEUUMGGAODD-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36271;MM36271;C=CN(C)C(=N)C(=O)C#N;WEGRMDFRRRLBOV-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36272;MM36272;CC(C)NN=CNO;DEUNVEYAQSKNQH-UHFFFAOYSA-N;117.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36273;MM36273;CCC#CC(=O)N(N)C=N;ZCGLMJFKHZQKJO-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36274;MM36274;C#CC(F)COC=O;UZPSOIYQMDMVPO-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36275;MM36275;C=NN(C)C(C=O)=NOC;GPOJQOZUFIEWTQ-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36276;MM36276;C#CC(C)(N)C(C)(O)C#C;DDPOBTGTXASMRP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36277;MM36277;C#CC(O)C(N)(C#C)CC;WDAPOWFRIWGQHJ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36278;MM36278;C#CC(=C)N(C=O)C(C)=N;ZXRAGSFSQMXFFP-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36279;MM36279;CC=NN(C)C(C#N)CF;MVYFOEPCFVMWFQ-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36280;MM36280;C#CC(C)OCC=O;VNDCESMOUFNNOX-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36281;MM36281;C#CC(C)OCC#N;VBVWDBILXXZJOS-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36282;MM36282;C#CCOC(C)C#C;MTQVWSZUJIJSDE-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36283;MM36283;CC=NOCCOCC#N;WPUCEBAFKAGYGQ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36284;MM36284;CC=NOCON=COC;NXDHNFZOUIFOQZ-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36285;MM36285;C#CC(N)C(O)C(N)C#C;RCCOZNAEVCADCP-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36286;MM36286;C=C(CO)CCCO;RWZHYFZPCKAFDG-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36287;MM36287;C=C(CO)CCCF;MXQCDZDSHJPMBI-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36288;MM36288;C=NOC=NN=CC=CN;BXCHAMNUSSUBKU-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36289;MM36289;CCC(=O)CCCO;APQMHEQLBDXGMP-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36290;MM36290;CCC(=O)CCCF;PIFDPKIKCWVTGQ-UHFFFAOYSA-N;118.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36291;MM36291;CCCCC(=O)CO;FDJJNIXWMAWMBP-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36292;MM36292;O=C(CO)CCCF;GEXSEHVFGXXZRZ-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36293;MM36293;O=C(CF)CCCF;KNLDEMSOIIAKAR-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36294;MM36294;CC(=O)N(N)C=CF;YFPVPUFIEFVSRA-UHFFFAOYSA-N;118.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36295;MM36295;CC(C)CC(=O)N(N)C=N;PMCJZYQRGJLUIP-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36296;MM36296;CC(=O)NC(CN)=C(C)C;JJTCSIBXZXULCU-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36297;MM36297;CN(C)N=CCOCC#N;LNVGVJLKYBHGGY-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36298;MM36298;COC(C)=C(C)N(N)C=O;CAPKCEUGKQKOKJ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36299;MM36299;C=C(CO)CCOC;YCJGXRYCWNZFRI-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36300;MM36300;CCC(=O)CCOC;IYHKHKUEGSVBMS-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36301;MM36301;COCCC(=O)CF;REALTJJUZUKMAT-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36302;MM36302;CCCCC(=O)N(N)C=N;ZAMFKYLXBAWCEW-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36303;MM36303;C#CC(=C)N(C)C=NC=O;BRJAYKNAJUXXLC-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36304;MM36304;CC(=COC=O)N(N)C=O;KQMPWCCMSOUBIX-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36305;MM36305;C=C(C)N(O)C(=N)NO;PAGJQBPXEYJSTN-UHFFFAOYSA-N;131.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36306;MM36306;CC(C)=C(CN)NC=O;PFTKAHCWWMZUIA-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36307;MM36307;CNC(=O)CCCF;ZENRXOFRDUOFHF-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36308;MM36308;C=CCC(C)NN=CNO;KFWNPRPTMIJVOW-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36309;MM36309;CCCCC(=O)NO;ZMJLZDJLNRHSSQ-UHFFFAOYSA-N;117.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36310;MM36310;O=C(CCCF)NO;UKVVLVZSVMHWRT-UHFFFAOYSA-N;121.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36311;MM36311;CC=NOC(CCF)OC;CBDFDUHSRGVTQF-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36312;MM36312;C=NN(C(C)=N)C(=N)C=O;YGLQWOOYWGRROX-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36313;MM36313;CC(N)=C(C#N)CCC#N;DLLPHEMGJYHBSC-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36314;MM36314;COC(=O)CCCO;JUYVXCGKMCYNBN-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36315;MM36315;COC(=O)CCCF;ZVGDFKFLRMGSFF-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36316;MM36316;C=NN(C=N)C(=N)OCC;DBMXLQOALPNQGR-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36317;MM36317;CC(CF)=NN(C)C;IFVHVJDGMOTIRV-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36318;MM36318;COCCC(=O)OC;BDJSOPWXYLFTNW-UHFFFAOYSA-N;118.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36319;MM36319;C#CC(C)N=C(N)C=O;MDZSJNNAPZWGRT-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36320;MM36320;C=NN=C(NN)NC=N;SWOSPGXKFFBQNV-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36321;MM36321;CCNN=C(CO)N(C)C;WKCXLZLNAIANEI-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36322;MM36322;CN(CC#N)C(=N)C#N;HDZMKOLYKCWMFT-UHFFFAOYSA-N;122.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36323;MM36323;COC=C(C)N(N)C=O;ZWNUEPLPLRTTRO-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36324;MM36324;C=C(CO)COCC;UJOUBSCDKRDJQH-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36325;MM36325;CCOCC(=O)CO;WATMHGCATZZWKG-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36326;MM36326;CCOC(C=NN)OC;CPFHEJXTYXCYGV-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36327;MM36327;CCOCC(=O)NC;VMJFQIFIWGEWTI-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36328;MM36328;CCOCC(=O)OC;PPFNAOBWGRMDLL-UHFFFAOYSA-N;118.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36329;MM36329;C=NN(C=N)C(=N)OC;SHSUFOLNNQQLGQ-UHFFFAOYSA-N;128.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36330;MM36330;CC=NN=C(NN)NC=N;RHBIJLDKOQQGLC-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36331;MM36331;C=NOC(C)(CC#N)OC;BEXVGGWMFIXSKD-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36332;MM36332;CCC(=O)NCCF;MGMQGTQTQJNFOA-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36333;MM36333;CCCNC(=O)CO;AVMYPXOTVDWXBQ-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36334;MM36334;C=NOC(=O)OCC=NN;ICBHOASMSRCWJI-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36335;MM36335;CC(C)C(C)NN=CNO;KMPDTRIBILZXIP-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36336;MM36336;C=NOCOC(C)=CC#N;CSAULMRJLYCYBF-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36337;MM36337;CCCNC(=O)NC;XEQNRQBTAKVTJE-UHFFFAOYSA-N;116.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36338;MM36338;CCCNC(=O)NO;AFPCHXICZQCREU-UHFFFAOYSA-N;118.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36339;MM36339;C=CN(N=C)C(=O)N(C)N;RQGLTGOEZZCTHA-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36340;MM36340;CCCNC(=O)OC;BTNRKODCNRYNNJ-UHFFFAOYSA-N;117.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36341;MM36341;C#CCC(N)(C#C)CO;FYMKYTLFEREHKE-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36342;MM36342;CC(C)=C(CO)N=CNN;UXPIYVXHKJXVCS-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36343;MM36343;CNC(C)(CF)C(C)O;ZYIFSTHAFDUZCH-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36344;MM36344;CCOC=CN(N)C(C)=O;NFKNLDQHENRGGA-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36345;MM36345;CCONC(=O)CF;XGXRRRVIKGKSBE-UHFFFAOYSA-N;121.11;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36346;MM36346;COC(C=O)=CN=CNO;WOIBTXVNMSLILW-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36347;MM36347;C#CCC#CC(N)C(C)O;DPZASQIJCYYAIS-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36348;MM36348;CC(=O)C(=O)CN(C)C;IHNDMZQZZKPIRZ-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36349;MM36349;CCONC(=O)NN;KPZXVEGFIIWNGB-UHFFFAOYSA-N;119.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36350;MM36350;CCONC(=O)NO;RLOOHSXQSHEFKX-UHFFFAOYSA-N;120.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36351;MM36351;C=COC=CN(N)C(C)=O;NDDBGSNTDPFMHW-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36352;MM36352;CCONC(=O)OC;QPJANUYQUVTYKV-UHFFFAOYSA-N;119.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36353;MM36353;C=C(CO)OCCO;UYNDVSQEKOIWKK-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36354;MM36354;C=C(CO)OCCF;WGQSUVQXPHKTHX-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36355;MM36355;C=C(CF)OCCO;VWQPCFKUMOATBE-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36356;MM36356;CCCOC(=O)CO;NORCOOJYTVHQCR-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36357;MM36357;O=C(CF)OCCO;BQJOUZLCUONYPB-UHFFFAOYSA-N;122.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36358;MM36358;C=C(CF)OCOC;BFBVTBXUNQZVGL-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36359;MM36359;CCC(=O)OCOC;DKJCSMHIPYRALV-UHFFFAOYSA-N;118.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36360;MM36360;COCOC(=O)CO;BBIPDNDXXWSMAZ-UHFFFAOYSA-N;120.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36361;MM36361;COCOC(=O)CF;LTEDSKPAUUNSPL-UHFFFAOYSA-N;122.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36362;MM36362;CONC(=NC=N)NN;UYRWBGKTKGOWGM-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36363;MM36363;C=CC#CCNN(C)C=O;IZIQXBOAKVEJSB-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36364;MM36364;CNN=CC=CC(=O)C#N;KKZVJZGPYRXGPG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36365;MM36365;CCC(C)N=C(N)C(N)=O;MVVURIJXIDWPJN-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36366;MM36366;CCC(CO)(CF)NC;POVBBIWFIWQQDT-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36367;MM36367;CCCOC(=O)NO;VRJVURSXNFEXIE-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36368;MM36368;CC=C(COC)N(N)C=O;BKQPIDUZDHHIMC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36369;MM36369;C=NN=C(C=O)N(C)N=C;LKASVSWRWOEGME-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36370;MM36370;CN(C)N=C(NO)N(C)N;KTSXDDAPYPQKLD-UHFFFAOYSA-N;147.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36371;MM36371;CNC(=O)OCOC;WZBNGFNEEOIMPG-UHFFFAOYSA-N;119.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36372;MM36372;CCCOC(=O)OC;KKQAVHGECIBFRQ-UHFFFAOYSA-N;118.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36373;MM36373;C=NN=COCON=CC;AZPZPHHKKRBXIC-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36374;MM36374;COC(=O)OCCO;JJRXNONHGBNFSK-UHFFFAOYSA-N;120.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36375;MM36375;COC(=O)OCCF;NOLGJZJMWUDWQW-UHFFFAOYSA-N;122.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36376;MM36376;COCOC(=O)OC;SUDQEXYMNHNOEI-UHFFFAOYSA-N;120.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36377;MM36377;C=CCC(CF)=NN;JCBMNAWUCDYNGS-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36378;MM36378;C=C(CO)CCC=O;OWCOWELLQJPYJH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36379;MM36379;C=C(CO)CCC#N;BEMDSVCHECCJIS-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36380;MM36380;CCC(=O)CCC#N;ZUEOZCBPTFMWGI-UHFFFAOYSA-N;111.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36381;MM36381;C=CCCC(=O)CO;AKNUCNDSDYSMNQ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36382;MM36382;O=CCCC(=O)CO;HESHAWBRRCAEDM-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36383;MM36383;N#CCCC(=O)CF;PMUDLJHEWTVTGS-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36384;MM36384;C#CC#CC(=O)N(C)N;BTSVPOYLXBPZLG-UHFFFAOYSA-N;122.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36385;MM36385;CC(CC#N)CN(O)C=N;YDDLIDZTRWWULR-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36386;MM36386;CNC(=O)CCC#N;KXDDPEPFAMBAMO-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36387;MM36387;C=CCCC(=O)NO;BOTXYWRAALQTJT-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36388;MM36388;N#CCCC(=O)NO;VTTDUQOHPYVDGF-UHFFFAOYSA-N;114.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36389;MM36389;COC(=O)CCC=O;DLZVZNAPRCRXEG-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36390;MM36390;COC(=O)CCC#N;BPSKURPOKFSLHJ-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36391;MM36391;C=C(F)C#CC(=O)N(C)N;GQALNYRVUOLUHB-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36392;MM36392;N#CCNCC(F)=CC=O;PYTPGSFHLJRNAG-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36393;MM36393;C=C(C#N)OCC=NNC;QCPKWSICAZYOEN-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36394;MM36394;CNN=CC(C=O)=COC;ZYANSYFIJLJHGP-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36395;MM36395;CCN(C(C)=N)C(=O)OC;AUPOYVAHHLBEKI-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36396;MM36396;CN(C)CC(=O)C=O;MXLBNPNGUPBSIO-UHFFFAOYSA-N;115.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36397;MM36397;C#CCC(C)CN(O)C=N;XHRFXEJETVEXGZ-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36398;MM36398;C=NNCC(=O)NO;XTAHFNBCTBAZHQ-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36399;MM36399;CON=COC(C#N)=CN;DYNFEMKUSXZQHC-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36400;MM36400;C=NNC=C(F)C(=N)C=O;IEXAOLRLZQOFCR-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36401;MM36401;CC(=O)N(N)C=N;BHSSXUZHDSGIAE-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36402;MM36402;C=COCC(=C)CO;ABWSTEKXTWCNEF-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36403;MM36403;C=C(CO)COC=O;RBYUPUFEGBFYNR-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36404;MM36404;C#CC(=O)N(N)C=N;GRDDZJKMUMHAAU-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36405;MM36405;C=NOC(CF)OC;ADFFRSRYSICHEN-UHFFFAOYSA-N;121.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36406;MM36406;CC=NOCOC(C)=O;KMILZUPIBQQLJH-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36407;MM36407;CNN=CNC(=N)C=NN;RDIWBLAGSNMLGF-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36408;MM36408;C=COCC(=O)NC;WPAIYDAASJKWND-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36409;MM36409;C=COCC(=O)OC;LQODOTZUMBVWPM-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36410;MM36410;COC(=O)COC=O;QBOHHEWTGPWJEE-UHFFFAOYSA-N;118.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36411;MM36411;C=C(C=NN)C(=O)OC;QUQRDZZVOGRZSQ-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36412;MM36412;C#CC(F)CCN(O)C=N;WLKPVBGBRNZVNR-UHFFFAOYSA-N;144.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36413;MM36413;C=CC(=O)N(N)C=COC;WGAKGMSPQPKFKN-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36414;MM36414;CNC=C(C#N)CCC#N;YFAYEGOIMNVEGH-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36415;MM36415;CC(CF)=NN;DTDQBQBIUAOPFL-UHFFFAOYSA-N;90.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36416;MM36416;CCC(=O)NCC#N;GQBVVQKSHNPODQ-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36417;MM36417;C=CCNC(=O)CO;LYRWBZKKWOABKY-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36418;MM36418;C=CCNC(=O)CF;BZKLPNCNWWJZHN-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36419;MM36419;N#CCNC(=O)CF;RBQOCUNXKVOCLC-UHFFFAOYSA-N;116.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36420;MM36420;C=NOCOC=O;HLUZAJFCZOLBGD-UHFFFAOYSA-N;103.08;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36421;MM36421;C#CC=CN(N)C(C)=O;HLZAGFLYWHRNJT-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36422;MM36422;C=CC(=NC)N(N)C=O;MKWUAFCXNQBIET-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36423;MM36423;CC#CC(=NNC)NNC;RNBQNHYNURWZGO-UHFFFAOYSA-N;140.19;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36424;MM36424;CNC(=O)NCC#N;JUQIKIBTBCIJRC-UHFFFAOYSA-N;113.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36425;MM36425;C#CC(=NNC)N(C)N;JFFMRHBZXULZHZ-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36426;MM36426;N#CCNC(=O)NO;WGZDSYOWKFXKKG-UHFFFAOYSA-N;115.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36427;MM36427;C#CC(C)=CN(N)C(C)=O;WDDJMSVRWBNILP-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36428;MM36428;N=CN(O)CCC=CC=O;WUOMPJVDUHIDBU-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36429;MM36429;CN(C)N=C(C=O)N(C)C;WUIXAWVMSWFLEZ-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36430;MM36430;C=CCNC(=O)OC;RGVMJBAUCBSEGO-UHFFFAOYSA-N;115.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36431;MM36431;CCC(=O)NN=CN;UMJXRPMDDNVJTM-UHFFFAOYSA-N;115.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36432;MM36432;C#CC=CC(F)C(N)CO;AFDXBLSDCDVHOV-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36433;MM36433;NC=NNC(=O)CO;NZTYKFGZWVCHAH-UHFFFAOYSA-N;117.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36434;MM36434;C=C(C#CC)N(N)C=NN;OOOBQMLFXDGTKZ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36435;MM36435;NC(CO)CF;GEJAIMZWZDAYCL-UHFFFAOYSA-N;93.1;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36436;MM36436;CNC(=O)NOC=O;REJCTWKTNCUCEO-UHFFFAOYSA-N;118.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36437;MM36437;C=C(CC)OCC#N;IISZWERBJVIWSR-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36438;MM36438;C=C(OC)N(C)C(=N)C#N;SGFNGSWPNJTNDW-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36439;MM36439;C=CCOC(=C)CO;VIYGHGHVCBWQEA-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36440;MM36440;C=C(CO)OCC=O;WZXFRFBIBYTWHM-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36441;MM36441;C=C(CO)OCC#N;LLAXCVRLCBHWMO-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxoethyl Propanoate";MM02416;CCC(=O)OCC=O;YEBVXYOFWKIFLE-UHFFFAOYSA-N;116.12;0.14;14759390;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36442;MM36442;C=CCOC(=O)CO;UVIZKKLXYCUTJB-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36443;MM36443;O=CCOC(=O)CO;WFSFLWLYYVQULH-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36444;MM36444;N#CCOC(=O)CF;SVINKHKHODFXBG-UHFFFAOYSA-N;117.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36445;MM36445;COC=CN(C)C=NC=O;NDSZBNZGVKWBOE-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36446;MM36446;C=NOC(OC)C(C)C#N;GVAMPOTXUVHMGY-UHFFFAOYSA-N;142.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36447;MM36447;C=CCOC(=O)NC;XGEAREWNUGXKQN-UHFFFAOYSA-N;115.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36448;MM36448;CNC(=O)OCC=O;BPLRIEYBYRVEDE-UHFFFAOYSA-N;117.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36449;MM36449;CCN(C)C(CO)CC=O;ZMISKINIMSJTSG-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36450;MM36450;C=CCOC(=O)NO;KCMAZEFWVCPBNJ-UHFFFAOYSA-N;117.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36451;MM36451;C=CCOC(=O)OC;YHLVIDQQTOMBGN-UHFFFAOYSA-N;116.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36452;MM36452;COC(=O)OCC#N;VNXKSZSSGFHENP-UHFFFAOYSA-N;115.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36453;MM36453;C#CC(N)C=COCCO;PWGZXMXVRAOHQV-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36454;MM36454;C#CC(=C)C(N)C(=C)CO;YGVZAIVWMNPYMS-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36455;MM36455;CNC(=O)ONC=O;MXZNLTRZEVCBKD-UHFFFAOYSA-N;118.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36456;MM36456;C#CCCC(=O)CO;QPIGPPVDEZZMHH-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36457;MM36457;CNN=C(C)CF;UQXOSXXVNKQCRI-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36458;MM36458;N#CC(C#N)=NNC=N;GXRCVOHGHMQMOF-UHFFFAOYSA-N;121.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36459;MM36459;CC(N)=C(C)C#N;KSBIPDJRJJHHFE-UHFFFAOYSA-N;96.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36460;MM36460;C#CCNC(=O)CC;WQRUWIPOVKUKAI-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36461;MM36461;C#CC=NN(C)CC#C;LVXGTSDPYWOGAJ-UHFFFAOYSA-N;120.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36462;MM36462;CC(=N)N(C)C(=O)C=O;HKCRERNXYSWFON-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36463;MM36463;C#CCNC(=O)OC;TVXCRKVVJMSNLG-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36464;MM36464;COCC#CC(C)=NN;KDHGJFNNBJVTMV-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36465;MM36465;C#CCOC(=C)CO;YTECMUIUPRAGLO-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36466;MM36466;C#CCOC(=O)CO;BQZFOHCXYPTXKI-UHFFFAOYSA-N;114.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36467;MM36467;C=NOC(=N)N(C)N=C;DNQDJDYRPPAOQU-UHFFFAOYSA-N;128.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36468;MM36468;CC(CO)N(C)CCC=O;SPLGPSVQUVQKCZ-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36469;MM36469;C#CCOC(=O)NO;CIOKIIUIPRLTFL-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36470;MM36470;C#CCOC(=O)OC;AUUBCQYRIBDKHO-UHFFFAOYSA-N;114.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36471;MM36471;C=C(C=O)CCCF;NWGQNXJLXYZIMZ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36472;MM36472;C=CC(=O)CCCF;MMUHQIUJTUEVDY-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36473;MM36473;CCCCC(=O)C#N;QSSICEQEBLLEMA-UHFFFAOYSA-N;111.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36474;MM36474;O=CC(=O)CCCO;SZMWSMHMUNVKGT-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36475;MM36475;O=CC(=O)CCCF;ZCCGDHQKHGFIHE-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36476;MM36476;N#CC(=O)CCCF;XLVRRZCENFESDN-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36477;MM36477;C#CCC(COC)=NN;BIILSKUAIQAIGK-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36478;MM36478;CC(=O)N(C)NC(C)CF;SHUGIUONFPSZTD-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36479;MM36479;C#CC=NOC(C)ON=C;SWDOVLVUZRHWAX-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36480;MM36480;CC(=NOC=NN)N(C)N;GSBRSCNENRQNBN-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36481;MM36481;C=C(C=O)CCOC;WAZPPTCJWAGULO-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36482;MM36482;C=CC(=O)CCOC;RYHAZBFRQQCSOJ-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36483;MM36483;COCCC(=O)C=O;HORVGVMSRMVRDH-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36484;MM36484;COCCC(=O)C#N;JTTZXEDLZBNDNB-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36485;MM36485;C=NOC(CC#N)OCC;LYRJDIGBWZPBCM-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36486;MM36486;C#CC(=C)C(=C)N(N)C=O;JJBFMEQKOBVGON-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36487;MM36487;CCN(N)C=NOC=NN;LVJOKNXRLGKDJA-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36488;MM36488;CCOCC(=O)C#N;ILRJWPURDGYVSH-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36489;MM36489;C=NN(C)C(=N)ON=CC;VDUIIKMLFMUCOS-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36490;MM36490;C#CC(C#C)N(C=N)N=C;HBEMLXLBENXVHA-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36491;MM36491;CC=NN(C)C(C=O)=NC;VCTBJZHOFRRLDO-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36492;MM36492;C=CC#CC(=O)N(C)N;NDFSPQZWOHHTDD-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36493;MM36493;CNC(C#N)=CC=NOC;UMZFSKKMQADBCS-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36494;MM36494;N#CC(=O)NCCO;TVNCOAJOYAHXEN-UHFFFAOYSA-N;114.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36495;MM36495;CC(=CCF)N(N)C=O;CXTPNJKIWZVRHT-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36496;MM36496;C#CCCC(=NO)N(C)N;CYHLWJOXSANFQO-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36497;MM36497;CCNNC(=O)C#N;FMZJEKZDURQGMP-UHFFFAOYSA-N;113.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36498;MM36498;C=CC=NOC=NOC;GHOPHXCDLLUKFJ-UHFFFAOYSA-N;128.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36499;MM36499;C#CCCN(N)C=NO;OSPBCBAKFBPKJN-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03399;MM03399;CCONC(=O)C#N;HRHRBFRYHBZZBV-UHFFFAOYSA-N;114.1;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36500;MM36500;C=NOCOC(C)(C)C#N;BCWYXKNXUPKOGX-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36501;MM36501;C=C(C#N)OCCC;FKCCMJHNDKASBD-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36502;MM36502;C=C(C=O)OCCO;XXPPONZMWAQPTR-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36503;MM36503;C=C(C#N)OCCO;CMEOCFZPENLTEY-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36504;MM36504;CCCOC(=O)C=O;BWQSEDZTBKYDHS-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36505;MM36505;CCCOC(=O)C#N;KEWOIBUJAMSMSU-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36506;MM36506;N#CC(=O)OCCF;ZCNRLRUETMNNEO-UHFFFAOYSA-N;117.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36507;MM36507;C=C(C=O)OCOC;YENLIFYTXIXFGO-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36508;MM36508;C=C(C#N)OCOC;AUILMKTYABBKDX-UHFFFAOYSA-N;113.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36509;MM36509;COCOC(=O)C#N;ZDDNGNBWHLQNND-UHFFFAOYSA-N;115.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36510;MM36510;C=CC(=C)CCC=O;GTQGBVLUEUNXCG-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36511;MM36511;C=CCCC(=C)C=O;HOGUOJJIIYZQRK-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36512;MM36512;C=C(C=O)CCC=O;YIQXWRQFRJCVEV-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36513;MM36513;C=C(C=O)CCC#N;IXMBFEQRFXTDBR-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36514;MM36514;C=C(C#N)CCC=O;DZVLQHRYMIXMAW-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36515;MM36515;C=CCCC(=O)C=C;CBAGROYOJMZIRK-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36516;MM36516;C=CC(=O)CCC=O;UXFTZFUPRSHIOT-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36517;MM36517;C=CCCC(=O)C=O;CZGARDOVOSNHGG-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36518;MM36518;C=CCCC(=O)C#N;GRWKWGISVKCIQB-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36519;MM36519;O=CCCC(=O)C=O;VUSMENNBCBGZQI-UHFFFAOYSA-N;114.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36520;MM36520;N#CCCC(=O)C=O;GUFSLQHWWGKRDN-UHFFFAOYSA-N;111.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-oxobutanoyl Cyanide";MM02405;N#CC(=O)CCC=O;YQUFYLUGIZJKJB-UHFFFAOYSA-N;111.1;0.06;129015152;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36521;MM36521;N#CCCC(=O)C#N;BBWNIJMVXYZZCD-UHFFFAOYSA-N;108.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36522;MM36522;C=C(C#N)CNC=O;SYLXDDMRGACRTP-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36523;MM36523;CC(C)C(=NO)N(C)N;PILLQEHLLIRTIG-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36524;MM36524;COCC#CC(=O)N(C)N;WAWHDCYVDSWJBS-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36525;MM36525;C#CCN(N)C(C=C)=NO;NVQLGCUCWOIDTA-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36526;MM36526;CONC(=NO)N(C)C;MFFLKLPSSHJQRQ-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36527;MM36527;CC(CC=O)N(C)CCO;WAOLIEMFBBVTLI-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36528;MM36528;CC=NN=C(NN)N(C)O;NDZCLVYWANXQEJ-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36529;MM36529;C=CC(=O)COC=O;KMQONAVMLJKDAJ-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36530;MM36530;C=COCC(=O)C=O;GRNHQISMNQAPMJ-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36531;MM36531;CC=NOC(C)(C=O)C=O;LWGQZEVOQHUGPM-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36532;MM36532;CC(O)CCNCCF;SFVNWFPWSJJGFH-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36533;MM36533;C=CC(N)C(F)C=CCO;SKBQCSQPJAAZAU-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36534;MM36534;C=NN(C)C=NC(=O)C=O;ZKKIZVYXQKXXEN-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36535;MM36535;CCN(C=O)NC(C)CF;KEHIGTQGZXDKPR-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36536;MM36536;C=NOC(CO)=NNC=N;GAPDXJNNDHUYDG-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36537;MM36537;C#CC(N)C(=N)N(O)C=N;VYOKTZDKRRQLGD-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36538;MM36538;CNC(=O)C(C)C#CCN;LPDCRHMEBMFLMX-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36539;MM36539;C=NN=C(NN)N(C)CC;CPQUYLSIXNFHTA-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36540;MM36540;C=CC(=O)NCC#N;OCXYXUXCRQIICZ-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36541;MM36541;C=CCNC(=O)C=O;RSJOKBBFQPYDJP-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36542;MM36542;O=CCNC(=O)C=O;VPICGTZDDNLJKZ-UHFFFAOYSA-N;115.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36543;MM36543;N#CCNC(=O)C=O;NSEKYULOAPMXSI-UHFFFAOYSA-N;112.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36544;MM36544;N#CCNC(=O)C#N;LBDMZQHFHXJEGW-UHFFFAOYSA-N;109.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36545;MM36545;N#CC(=O)NOC=O;BNIGUSFUJIGLOU-UHFFFAOYSA-N;114.06;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36546;MM36546;C=C(C=O)OCC=O;PTDMXLPBARXJMP-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36547;MM36547;C=C(C=O)OCC#N;VHAHCERTJTVCPF-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36548;MM36548;C=C(C#N)OCC=O;IBNMZXHTEOCSAI-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36549;MM36549;C=C(C#N)OCC#N;LFXDYEAZWNSQCV-UHFFFAOYSA-N;108.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxoethyl Prop-2-enoate";MM02457;C=CC(=O)OCC=O;STABHOYEJKGYMU-UHFFFAOYSA-N;114.1;-0.09;21798085;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36550;MM36550;C=CC(=O)OCC#N;WJMQFZCWOFLFCI-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36551;MM36551;C=CCOC(=O)C=O;WGGGNVIYEDDIOK-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02348;MM02348;O=CCOC(=O)C=O;ZFWWLKBCHQUFEJ-UHFFFAOYSA-N;116.07;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36552;MM36552;N#CCOC(=O)C=O;PHUKCSLKZUZRLC-UHFFFAOYSA-N;113.07;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36553;MM36553;N#CC(=O)OCC=O;GMKSNYAQKJUCQH-UHFFFAOYSA-N;113.07;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36554;MM36554;N#CCOC(=O)C#N;NTRCZJISVROHEE-UHFFFAOYSA-N;110.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36555;MM36555;CN(N)C(CO)=NC=NN;ZPZJNNBUSWBRHS-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36556;MM36556;O=CNOC(=O)C=O;ZEPPRDOMSCTEDN-UHFFFAOYSA-N;117.06;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36557;MM36557;N#CC(=O)ONC=O;WUGIPEHUCXCWPZ-UHFFFAOYSA-N;114.06;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36558;MM36558;C#CCCC(=O)C=O;AANFDABGIIHRSD-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36559;MM36559;C#CC=NOCC(C)=NN;MDEAWUSEHPIFDM-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36560;MM36560;N=CNC(=CN)C(N)=O;ICVNHOHWOYONDV-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36561;MM36561;C#CCOC(=C)C=O;UYWRXWCQKRFODE-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36562;MM36562;C#CCOC(=O)C=O;XWYQAWSYSGNICG-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36563;MM36563;C#CC(=O)CCCO;YMJPISHHNQWZBZ-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36564;MM36564;C#CC(=O)CCCF;UHSVIQUSKFNUIK-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36565;MM36565;C=NOCOC(C#N)CC;KYMSNNDYAQNRDI-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36566;MM36566;CN=C(C#N)NC(=N)CO;YSBWNOMJICXPCC-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36567;MM36567;C#CC(=O)COCC;FWDPRKRIKWWDKT-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36568;MM36568;COCC=CN(C=N)C=O;HHIFEYVYVDKILF-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36569;MM36569;C#CC(=O)NCCC;JYGWLCLFKVRIIK-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36570;MM36570;CNN(C=O)C(N)=CC#N;KLVUYRRCSUEDJY-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36571;MM36571;C#CC(=O)NOCC;ZQKORFLAIOLRFO-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36572;MM36572;C#CC(=O)OCCO;LASKJEAOUAEPIU-UHFFFAOYSA-N;114.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36573;MM36573;C#CC(=O)OCCF;RXRCQICKCREPOL-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36574;MM36574;C#CC(=C)OCOC;NOMZEWJFZYSDBK-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36575;MM36575;C#CC(=O)OCOC;GNDWEMJDDFWTGJ-UHFFFAOYSA-N;114.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36576;MM36576;C#CC(=C)CCC=O;LQTYGQIXPINCHZ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36577;MM36577;C#CC(=O)CCC=O;HSURQRILLJGVPG-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36578;MM36578;C#CC(=O)CCC#N;ROSJYMRCWGSIRE-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36579;MM36579;CC=C(C)N(N)C=O;ARLDCOHCYYKLOH-UHFFFAOYSA-N;114.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36580;MM36580;C=NN=C(NN)N(C)C;RDYBJBKUVCUNAQ-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36581;MM36581;C#CC(=O)COC=C;UCOGCDVUXNOPEQ-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36582;MM36582;C#CC(=O)COC=O;WAKJAZIEILMGHT-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36583;MM36583;N#CCNN=CN(O)C=N;WNIALCWJLCICCJ-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36584;MM36584;CC=NOCCC#N;WWPUNEXRJPLDNP-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36585;MM36585;CC(=O)N(N)C=C(C)C;JAJKHUAOVFGTNX-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36586;MM36586;C#CC(=O)NCC=C;ZKTAYBWTWJVZGR-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36587;MM36587;C#CC(=O)NCC#N;JSYWTYWIUIELOG-UHFFFAOYSA-N;108.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36588;MM36588;C=CN(N)C(=O)C(C)C;WMXMYAJPQVUQNU-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36589;MM36589;CC(=O)N(N)C=CCF;CVIIEZCDHHIDEA-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36590;MM36590;C#CC(=O)NOC=O;RLWFXXGJZHBYEB-UHFFFAOYSA-N;113.07;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36591;MM36591;C#CC(=C)OCC=C;BOGYJAMUVQMUPB-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36592;MM36592;C#CC(=C)OCC=O;PETLNRZAOJTYLW-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36593;MM36593;C#CC(=C)OCC#N;GENLBYQPHMSDQI-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36594;MM36594;C#CC(=O)OCC#N;NLEAQBPWRFHTNZ-UHFFFAOYSA-N;109.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36595;MM36595;C=C(CCF)N(N)C=O;RCABGJWQHFQPGB-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36596;MM36596;C#CC(=O)ONC=O;YCWYACOOQGVHLJ-UHFFFAOYSA-N;113.07;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36597;MM36597;C=CCC(=C)N(N)C=O;GRXALHFZJCGRSS-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36598;MM36598;C#CCOC(=O)C#C;SNGMABFTOTYJGX-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36599;MM36599;C=CCC(=O)N(N)C=C;IKNPMOLJPDMYAE-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36600;MM36600;C=NOCOC(N)=CC#N;IHXSMUGTTUPUFA-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36601;MM36601;C=CN(O)C(=N)C(=C)C#N;BABPNQRWSJLXOD-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36602;MM36602;CC(CO)CC=NO;LGLKGGQWCNWCQV-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36603;MM36603;C#CCC=CN(N)C(C)=O;YYBDBEYGPGQPMN-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36604;MM36604;CC(CF)CC=NO;AHZRQASSBFJNMV-UHFFFAOYSA-N;119.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36605;MM36605;CON=C(NO)N(C)C;MFFLKLPSSHJQRQ-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36606;MM36606;C#CCC#CC(=O)N(C)N;ICNFBPFPSVUGSA-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36607;MM36607;OCC(F)CC=NO;AZADWVIMMIXZBT-UHFFFAOYSA-N;121.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36608;MM36608;C=C(CC)CN(C=N)C=O;AMIDCUDTMGWGPJ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36609;MM36609;C=NN(C)C=C(C#N)OC;YENRTFLVVYNRJA-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36610;MM36610;CN=C(CC#N)N(C)O;UWWCKRVMUBQFPZ-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36611;MM36611;COC(C)CC=NO;OEZMBIYHJPLFNP-UHFFFAOYSA-N;117.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36612;MM36612;C=C(CCOC)N(N)C=O;RYOMLOSSLXHSGQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36613;MM36613;NC(C=CC=CCO)CF;NVONCBLBRSXBDJ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36614;MM36614;COCC=C(C)N(N)C=O;CMOQLIUQTBIUOZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36615;MM36615;CC(CO)OC=CF;RZJMJNNQPQAKDB-UHFFFAOYSA-N;120.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36616;MM36616;CC=CCNN=CNO;SXMYUVGHJLTGJJ-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36617;MM36617;CC(C)=CCNN=CNO;JJXVXUGNQSXFFS-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36618;MM36618;COC(C)OC=NO;KAFVFZSMAZKHFN-UHFFFAOYSA-N;119.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36619;MM36619;C=NN(C)C(C=O)=NC=N;DCBGNEYRXHPTGX-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36620;MM36620;C=NOC(CCC#N)OC;XYYBHHMUOHZVCX-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36621;MM36621;CC(=O)N(C=N)CCC#N;KDWDJMBMUFVAHV-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36622;MM36622;CNN=CC=C(C#N)OC;DQENQJWNMCZRJH-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36623;MM36623;C=C(C)N(N)C=O;WQFRXGQTAANJCR-UHFFFAOYSA-N;100.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36624;MM36624;CC=CCC(O)C=O;JVFDHDXTXUGZHE-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36625;MM36625;O=CC(O)CC=CF;BILDVZJINCCSLR-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36626;MM36626;N#CC(O)CC=CF;AUNLJAFODBBHHV-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15638;MM15638;O=CC(F)CC=CF;DEFZPRBOKSKOQN-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36627;MM36627;CC(C=O)CC=NO;MYDMHSABUMIVIC-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36628;MM36628;CC(C#N)CC=NO;VJKKEEFONZZAHF-UHFFFAOYSA-N;112.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36629;MM36629;C=CC(N)C#CC(C)CO;UKABWJOSWMHDNT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36630;MM36630;C=CC(O)CC=NO;HPPLGYZJDUWPGM-UHFFFAOYSA-N;115.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36631;MM36631;O=CC(F)CC=NO;NKFULMJLHPNXPH-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36632;MM36632;C=CN(N)C(C)=O;YDCGDXCSZYDRDV-UHFFFAOYSA-N;100.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36633;MM36633;CC(CC#N)NN=CNO;CMNJMWUAUCDJNT-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36634;MM36634;CNCC(=O)C(C)CF;BWECCUAOFVPTDZ-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36635;MM36635;C#CCC(C)NN=CNO;NCODDLUCLOHECH-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36636;MM36636;CC(C#N)OC=NO;LFYUMKUSESTMJC-UHFFFAOYSA-N;114.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36637;MM36637;CC(C)=NOCCF;PMUUEICQVBTGHJ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36638;MM36638;CC#CC(=O)N(C)N;MDXKQWBAPMCLNE-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36639;MM36639;CNN=C(C)C(C)F;UQRPMLARDMESST-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36640;MM36640;C#CC(C)CC(=O)CNC;DITUONFOHYSVPT-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36641;MM36641;C=CN(N)C(=O)CC;IQLMUSVDZYLBKU-UHFFFAOYSA-N;114.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36642;MM36642;C=NN(C)CC=NO;HCIOSPZTXWUUHG-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36643;MM36643;C=NNC(=N)NC(=N)C=O;DOLLCONURVLBMT-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36644;MM36644;C#CC(C#C)ON=C;QLEZVQWEBHVHHR-UHFFFAOYSA-N;107.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36645;MM36645;C#CC(F)CC=CF;JIXYZIMCEOAQHT-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36646;MM36646;CCN=CN(CC=O)OC;NOAUBQDFXVPXCX-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36647;MM36647;C#CC(O)CC=NO;RPQCOULSOQFYCO-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36648;MM36648;C=NN=CC=C(N)N(C)C;RAJKUEOJVGEZOQ-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36649;MM36649;C=NOC(CF)=NNC=N;NPHFWZXAVMLLFG-UHFFFAOYSA-N;146.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36650;MM36650;CNN=CC(C)OCC#N;DDTSVFYKNLSGTK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36651;MM36651;C#CC(C)OC=NO;TZYSTORHNYJSFT-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36652;MM36652;C=C(C=O)OCON=CC;AQWUIMGBXVQGQF-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36653;MM36653;CC=CCC(=O)CO;UNIYQDIEOMAEMG-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36654;MM36654;O=C(CO)CC=CF;LKMBPQKIKKKEAZ-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15607;MM15607;O=C(CF)CC=CF;WLQZWFUOOYRUBY-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36655;MM36655;CNCC(=O)C(C)CCF;HYKBFWVFOGZXKW-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36656;MM36656;CNCC(=O)C(C)C(C)C;SPFLPNNCTQDDBC-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36657;MM36657;C=C(CO)CC=NO;APWAWLPBKOLBKA-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36658;MM36658;CCC(=O)CC=NO;HMFMIEBRWILENM-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36659;MM36659;O=C(CF)CC=NO;YNYATEHZJCHJRX-UHFFFAOYSA-N;119.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36660;MM36660;CNN=CC(CC#N)OC;FQVGTEBIHCLJQP-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36661;MM36661;C=CC=NOCOCC#N;ULRYHRRBOQOTQQ-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36662;MM36662;CNN=CCOC=CC#N;BVNZDNQYGCBWLL-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36663;MM36663;C#CCCC(=O)CNC;HTCOALDBPAXCTA-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36664;MM36664;CNCC(=O)C(C)C;OMWKPVQXGRTCLA-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36665;MM36665;CNC(=O)CC=CF;CHZVSKFUFDJUDV-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36666;MM36666;C=CCCC(=O)CNC;GMRGRVRVDHWELN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36667;MM36667;CC=CCC(=O)NO;GNBYGGFKPJCWKL-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36668;MM36668;CN(CC=O)CC=CF;ZQUSJCDIUYDAEB-UHFFFAOYSA-N;131.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36669;MM36669;COC(=O)CC=NO;CGONDWDRJJJACX-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36670;MM36670;CC#CCNN(C)C=O;JIPPBVZDNKEFEV-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36671;MM36671;C=NN=CCNCC(C)=O;IYOVMQWMHJRCLU-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36672;MM36672;C#CCN(N)C(=O)C#C;SVKZSUYEEHRJAB-UHFFFAOYSA-N;122.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36673;MM36673;CC=CNC(=O)CF;JTDDEDWPPCBKAS-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36674;MM36674;CC=CN(C=N)C(C)=O;HRNCIPFTKBBWLX-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36675;MM36675;C=CC=CN(C=N)C=O;YSDVJWHSMCTESN-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36676;MM36676;CC#CC(=N)N(N)C=NN;YCXJJOHUQQPDRO-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36677;MM36677;C=C(F)CN(N)C=NN;SYKVJASVPNJWML-UHFFFAOYSA-N;132.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36678;MM36678;COC(C=NN)OC(C)C;IKCIFABIUMSVCU-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36679;MM36679;C=NOC(=O)CON=CC;OSWBUMFPGQSCFS-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36680;MM36680;C=C(F)C(C=O)NCC;ZUMIVSNIFXGASV-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36681;MM36681;COC=NN(C)C(=N)NN;BYZJFUHGGKYKII-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36682;MM36682;CC=CNC(=O)NC;RYFRHCAQHHXJIR-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36683;MM36683;CNC(=O)NC=CF;JRVQRZUSWAIHAJ-UHFFFAOYSA-N;118.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36684;MM36684;CNCC(=O)CCCF;BJTGBTDGMYZLPQ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36685;MM36685;CC=CNC(=O)NO;BLHIROSPCDNXQW-UHFFFAOYSA-N;116.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36686;MM36686;CC(C#N)N=CNCC#N;FVEDDCUCUHSLJX-UHFFFAOYSA-N;136.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36687;MM36687;C#CCN(C)N=CCC#N;DEDXQGOUODVZRF-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36688;MM36688;COC=C(F)CNCC#N;FTQUEYHIGMLOGZ-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36689;MM36689;CC=CNC(=O)OC;KJSPEIRZAQGWOZ-UHFFFAOYSA-N;115.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36690;MM36690;COC(=O)NC=CF;PWPGGYKMNJRJLT-UHFFFAOYSA-N;119.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36691;MM36691;CCN(C=O)NCC(C)F;QAGVFLLUGXRZFI-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36692;MM36692;CCCC(=O)CNC;XRZZSUDQRRAVIM-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36693;MM36693;CCC(=O)CNC;INIRAEKEVJJFAU-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36694;MM36694;CC=NNC(=O)CO;RYUJOPANGKRVLF-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36695;MM36695;CC=NNC(=O)CF;XIJAQQBBICXKPL-UHFFFAOYSA-N;118.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36696;MM36696;C=C(C)CC(=NO)N(C)N;WUEKNJCZKFLJGW-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36697;MM36697;C=CCC(=NO)N(C)N;DDYJYZRSNGCDOP-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36698;MM36698;CC=NNC(=O)NC;FRAIQMUGWMUQFY-UHFFFAOYSA-N;115.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36699;MM36699;CC=NNC(=O)NN;QIRZCOAKAOVMLC-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36700;MM36700;CC=NNC(=O)NO;UAOIETQPPPZORF-UHFFFAOYSA-N;117.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36701;MM36701;C#CC(C)N(N)C=NO;TUZULFMADXXBMF-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36702;MM36702;C#CC(C=NN(C)C)OC;HJJDWLOMIXLVRH-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36703;MM36703;C#CCN(N)C(C)=NO;FWWVJDZJEHJFRH-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36704;MM36704;C=C(CO)OC=NO;VPGZMSLSEIXMNF-UHFFFAOYSA-N;117.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36705;MM36705;COC(C)CN(N)C=NO;VISHXQINEWFLGX-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36706;MM36706;C=C(CF)OC=NO;QIYISBJNIMCBGK-UHFFFAOYSA-N;119.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36707;MM36707;CNC(C=O)CCCC=O;GZBBIXDAYOEPCP-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36708;MM36708;CCC(=O)OC=NO;AHQRHPXTNBDSBE-UHFFFAOYSA-N;117.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36709;MM36709;C#CC(=NN)NC(=N)C=C;KGWVJNPECULDCQ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36710;MM36710;CC#CCNCC(O)C#N;KMPIQRYUBYINIA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36711;MM36711;C=NN(C)C(=NNC)NC;SNUHOCGTFXRKJT-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36712;MM36712;CNC(COC)=NN;TWHXLWMBYXXESO-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36713;MM36713;CNC(=O)OC=NO;ZKNHEWBPRYPHCG-UHFFFAOYSA-N;118.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36714;MM36714;CC=COC(=O)OC;YXBVHMXMPGEDBJ-UHFFFAOYSA-N;116.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36715;MM36715;COC(=O)OC=CF;IZQOMGQRFOVNLE-UHFFFAOYSA-N;120.08;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36716;MM36716;COC(=O)OC=NO;OWDLXUYUBVNYRH-UHFFFAOYSA-N;119.08;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36717;MM36717;C#CC(C)N(N)C(=O)OC;OBLYMBVICOJXMW-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36718;MM36718;COCCC(=NN)NC=N;NYKWUTVKVCGENI-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36719;MM36719;C=NN=C(NN)N(C)O;ZOLHAQQWHJOATA-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36720;MM36720;CNN=C(CN)N(O)C=N;ZWCIEILXOAHCKJ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36721;MM36721;CN=C(NO)OC(C)C#N;OTDHNYZQCAEXRX-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36722;MM36722;CC=NOC(=O)NN;SUFOEMHIXDBYMB-UHFFFAOYSA-N;117.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36723;MM36723;CC=NOC(=O)NO;NTZPFIRKVDBZHC-UHFFFAOYSA-N;118.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36724;MM36724;C=CCCN(N)C(=O)OC;JLFNGLBNUHDLDK-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15805;MM15805;C=CC(=O)CC=CF;LFFBUIOGKCLYFA-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15569;MM15569;N#CC(=O)CC=CF;HBYJTYXMLXAYHY-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36725;MM36725;C=C(C=O)CC=NO;XLESISGWUMFBNM-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36726;MM36726;C=CC(=O)CC=NO;CFMFKLADZLNXSD-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36727;MM36727;C#CCCN(N)C(=O)OC;YAOTTXZHDYHDOR-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36728;MM36728;CC(=CF)CCNCC=O;NLBYTZHPFARKRW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36729;MM36729;N#CC(=O)NC=CF;LXVGTGQCJKOIGO-UHFFFAOYSA-N;114.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36730;MM36730;C#CC(N)C(F)(F)C#C;KDPGDRYLURPMQQ-UHFFFAOYSA-N;129.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36731;MM36731;C#CC(ON=C)C(=O)OC;WATJJUSBLVUYLW-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36732;MM36732;C=C(C=O)NC=NO;UHMPFEYWDVNTHT-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36733;MM36733;C=C(C#N)NC=NO;OTGFMEMKVTURQD-UHFFFAOYSA-N;111.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36734;MM36734;C#CC(C#C)OCON=C;XKUUQVOMUFAVAS-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36735;MM36735;C=CN=CN=C(C)NC=N;OSTPKVSUSGCEPE-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36736;MM36736;C#CC(N)(C#C)C(=N)NO;IOGOUDVGGMXDPW-UHFFFAOYSA-N;137.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36737;MM36737;CC(CF)NN=CNO;HPCUORPXNWTOIV-UHFFFAOYSA-N;135.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36738;MM36738;CC(N)=C(C=O)N(C)C=N;GTLPHYHZKUEIBQ-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36739;MM36739;C#CC(C)(C)N=CNO;BKNAJDXKKWNQBM-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36740;MM36740;C#CC(=NNCC)N(C)N;BJABCMQBSNLRMV-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36741;MM36741;CC=NNC(=O)C=O;QRHWXRBKJSGEMG-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36742;MM36742;CC=NNC(=O)C#N;GCAYCFHGEBWNNA-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36743;MM36743;C=C(C#N)OC=NO;JEWXINRCKFHSRM-UHFFFAOYSA-N;112.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36744;MM36744;C=CC(=O)OC=NO;INIOSMNBRHXRIR-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36745;MM36745;O=CC(=O)OC=NO;GUNIAGBFJCKLDR-UHFFFAOYSA-N;117.06;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36746;MM36746;C#CC(=O)N(C)N;PEAYOMRBGNYUPY-UHFFFAOYSA-N;98.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36747;MM36747;CCN(N)C(=O)OC;AULLOZAMZVNPNE-UHFFFAOYSA-N;118.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36748;MM36748;C#CC(=O)CC=CC;YQTYHFMRHVQRCD-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15770;MM15770;C#CC(=O)CC=CF;ZCWPQGFNBZQWJZ-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36749;MM36749;C#CC(=O)CC=NO;PJBCRYUAIGFAMX-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36750;MM36750;CN(C=O)C=NC=N;HGIYDZKKCVGNDB-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36751;MM36751;C#CCC#CC=NN;JKMBXKFFTPCKET-UHFFFAOYSA-N;106.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36752;MM36752;C#CC(=O)NC=CC;FAKOANOOTWUJBM-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36753;MM36753;CNC=NC(=NOC)NN;UPUCNPNYASQSCW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36754;MM36754;C#CC(=C)NC=NO;HRCYMLWWEQAUHZ-UHFFFAOYSA-N;110.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36755;MM36755;C=C(NC(=N)C#N)OC;VSPCJJHLMZLXKN-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36756;MM36756;C#CC(=O)NC=NC;PZIMCKZHRAGUAO-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36757;MM36757;C#CC(=O)NN=CC;YXQXELSTMCXVDL-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36758;MM36758;C#CC(=C)OC=NO;DOVZFNKDPCYQAL-UHFFFAOYSA-N;111.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36759;MM36759;CCNCC#CC(C)=O;XYKATQNNYNWCDH-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36760;MM36760;C#CC(=O)OC=NO;QZQODIVVASJGCA-UHFFFAOYSA-N;113.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36761;MM36761;C=NN(C)C(=O)N(C)N;VMVTYIDKJAPPQW-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36762;MM36762;CCC#CC(=NN)NN;DQASOPNKSGSSQR-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36763;MM36763;C=CN(N)C(=O)C(=C)C;JYSXIQGFCUMZHX-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36764;MM36764;C#CC=C(C#N)C(=N)N;RFERBGYJPYXGFC-UHFFFAOYSA-N;119.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36765;MM36765;CN=C(C)N(N)C(C)=O;VIWPTCRQKDQCFV-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36766;MM36766;C=CCNN=C(C)CF;XXMCJFCKDGLFIR-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36767;MM36767;COC(C)CC(N)=CC#N;LVTXDKHOXFIBSN-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36768;MM36768;CN(C(=N)C#N)C(=N)CF;HVJNIYALEIBPLX-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36769;MM36769;CN(C=CC#N)C=NC=O;HJXBFXTVABEQPF-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36770;MM36770;CC#CCC(=O)CO;KGVITNGUNDPAGG-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36771;MM36771;C=CN(N)C(=O)C=COC;PSLVMYLZTVIZEH-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36772;MM36772;C=NOCC(C#N)=CC=O;ZFVITFPUJGHOLQ-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36773;MM36773;C#CCOC(C#N)C(=N)N;YCVJHGGGMWLIEN-UHFFFAOYSA-N;137.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36774;MM36774;C#CCNNC(C#C)=NN;JQCZJSFRSPEEPQ-UHFFFAOYSA-N;136.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36775;MM36775;CC#CCC(=O)NO;MHWVBYZPAVBYMR-UHFFFAOYSA-N;113.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36776;MM36776;C=C(C#N)CC#CC;IHZKCBDEFNUHER-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01618;MM01618;CC#CCC(=O)C=O;HZUVVGRLMSDVJL-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02145;MM02145;CC#CCC(=O)C#N;VWCSIESCUQASAB-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36777;MM36777;C#CC(=O)N(C=N)C(C)C;JCVLFCFRFSIDIY-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36778;MM36778;C=CCC(=O)N(C=C)C=N;UEKLSWWDGQLMLN-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36779;MM36779;C=CC(=O)N(N)C=C;FFKOLSNIXBAYPW-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36780;MM36780;C=CC(C)=NOCC#N;KKINDGYVVUMNBL-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36781;MM36781;C=NN=CN(C=O)NC;XGSPJNWUZDPXQO-UHFFFAOYSA-N;128.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36782;MM36782;CNC(=NC(C)=N)OC;QWRNIPMGRWBHMG-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36783;MM36783;CC(CCCF)=NO;BAXVPUVAUKLDCB-UHFFFAOYSA-N;119.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36784;MM36784;COC=CC#CC=NN;YRBKRXZLWGHUBU-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36785;MM36785;C=NOCOC(C)CC#N;SXIDNTLQVULLOF-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36786;MM36786;C#CCC=NN(C)CC#N;DFBBWVMUFAJFJP-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36787;MM36787;N#CC=C(N)CCOC=O;KIABPOYEJGMYPW-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36788;MM36788;CNNC(=N)ON=CNN;HKXGAHSMNCSVOE-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36789;MM36789;CN(N)C=NOC(=N)NN;DYHGSRIHIYTLQU-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36790;MM36790;C#CC(=C)C(=NO)N(C)N;CSLKPESWSADEGL-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36791;MM36791;C#CC(C#N)=C(N)N(C)C;SRXAFGAEURKALE-UHFFFAOYSA-N;135.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36792;MM36792;CNC(C)C=O;URVVSDKRMNZBRF-UHFFFAOYSA-N;87.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36793;MM36793;C=NOCOCC(C)C#N;NIJXUSWQPRQFSK-UHFFFAOYSA-N;142.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36794;MM36794;C#CCN(N)C(CC)=NO;CSVSTHGHSBOOCG-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01988;MM01988;CCCOC(C)=NO;NDEPWEUVLRGZRV-UHFFFAOYSA-N;117.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36795;MM36795;CC(=NO)OCCF;YCMSEXQAWFCSKO-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36796;MM36796;CC(=CF)CCC=O;KKPYIJYFCZNODV-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36797;MM36797;O=CCCC(F)=CF;QXHZKWZKQRFPJD-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36798;MM36798;CC(CCC=O)=NO;CUTKZWQUWWNUBN-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36799;MM36799;CC(CCC#N)=NO;MDKCBWSIONMUQT-UHFFFAOYSA-N;112.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36800;MM36800;N#CC=CCN(C=N)C=O;ZXOIFRGZZLGMRN-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36801;MM36801;CC=NN=CN(C=O)NC;DYCCBJMNNZQCGL-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36802;MM36802;CC(=CF)CNC=O;LXGAVGYPJHQENW-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36803;MM36803;CON=CC=C(C=O)OC;NMUJDWMZHUQMAM-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36804;MM36804;O=CNCC(F)=CF;WBBTUVPBDIPVSA-UHFFFAOYSA-N;121.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36805;MM36805;C=NOCOCCCC#N;QUONPYMTPYWIIW-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36806;MM36806;CC(=NN)C(C)F;JSRPITFTPUVAQV-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36807;MM36807;C=NOCOCCF;FECAZGCZVBVCSW-UHFFFAOYSA-N;121.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36808;MM36808;C=NNCC(C)=NO;UAWROWWOMKEREW-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36809;MM36809;C#CC(C#N)=CN(C)C;ITOVYFJQTOELFV-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15464;MM15464;C=COCC(C)=NO;GISMRSPTSORXOO-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36810;MM36810;CC(COC=O)=NO;DHKJHTLMCQZIGV-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36811;MM36811;C=C(CF)N(N)C(C)=O;YUBZEZDHVIAVEJ-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36812;MM36812;CNC(=NCC#N)NOC;YRJZKQALIXBSNV-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36813;MM36813;C=CCN(N)C(=O)OC;NORGYBMYALUVQL-UHFFFAOYSA-N;130.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36814;MM36814;C=CN(O)C(=NN=C)NN;HMTMKTMAFFYGHI-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36815;MM36815;CNC(=O)N=C(C)N(C)C;AHPJTLNNARHNOH-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36816;MM36816;N=CN=CN(O)C=N;CJICNNPIDIDAMJ-UHFFFAOYSA-N;114.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36817;MM36817;N=CNC(=N)C(=N)NC=N;RNJNKFRXQUFSDA-UHFFFAOYSA-N;140.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36818;MM36818;C#CC=C(CN)OC=NO;WSWPWFDJLNLVEY-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36819;MM36819;CC=C(C)OCC#N;YWBWSWGIBDKPLY-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36820;MM36820;CC(=CF)OCC#N;ICNVILLMYWTAGJ-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36821;MM36821;CC(=NO)OCC#N;ZUXGLIKFWFSKIV-UHFFFAOYSA-N;114.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36822;MM36822;CC(=NO)ONC=O;VKEUFVMWLHRBKJ-UHFFFAOYSA-N;118.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36823;MM36823;C#CCOCON=CC;XQJFNGMEBVKALW-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36824;MM36824;CCN=CN=CN(O)C=N;JPMJJWBZDFUZON-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36825;MM36825;CN=CN(O)CC(=O)C#N;GJIUNVNGCJLKQB-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36826;MM36826;C#CCOC(C)=NO;ALHMYLXUHDNCQY-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36827;MM36827;C#CC=NOCC=NN;ZBHOJVCAORUMNS-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36828;MM36828;CC(CC=NO)=NN;WVIKYSCYOWRNDV-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36829;MM36829;CC(CC=NN)=NO;MNDJJNPTMMRUER-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36830;MM36830;CC(CC=NO)=NO;ADIKEKYIWQGNAL-UHFFFAOYSA-N;116.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36831;MM36831;C=NOC(C)(C#N)COC;URBGAKJQAMOKIS-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36832;MM36832;C#CCC(=C)C(CN)=NO;ASKMPZOMVHZCID-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36833;MM36833;C=CCN(N)C(=O)OCC;MBYJOWMQCFCRTM-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36834;MM36834;CN(O)C(CC=CF)=NN;ZXHRBBIHYFZKMI-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36835;MM36835;C=CN(C=NC=N)N=CC;LGXZCJQUFWJNHS-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36836;MM36836;C=CC(C)NN=CNO;QGQAQHYTNUJLAU-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36837;MM36837;C=CC(CC)NN=CNO;IBUKVMYDNYOVPP-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36838;MM36838;CCNCC(=NO)C(C)C;UYFGJZYPRSTLOJ-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36839;MM36839;C=COC(C=O)=NNC=N;GMGZWVNQGPANAC-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15459;MM15459;CC(=CF)OC=NO;GYSORORVGIMQAX-UHFFFAOYSA-N;119.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36840;MM36840;C#CC(=O)N=C(C)N(C)C;HIDGFWOYRBNWDJ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36841;MM36841;CC(=NN)OC=NO;WKVNSSAFXHZFGA-UHFFFAOYSA-N;117.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36842;MM36842;CC(=NO)OC=NN;YITXXCDKENTXTB-UHFFFAOYSA-N;117.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36843;MM36843;CC(=NO)OC=NO;HOIDZOOUVJXZGV-UHFFFAOYSA-N;118.09;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36844;MM36844;C#CC(F)C(=NC)NC;STAOZYCTZZSNOK-UHFFFAOYSA-N;128.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36845;MM36845;CC=NOC(C)=NO;JWYJPQJFKCADGQ-UHFFFAOYSA-N;116.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36846;MM36846;CCC(CF)=NN;WTXSBKZFLQDUSH-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36847;MM36847;CC(CN)=NO;RBDWAFZCAZEDON-UHFFFAOYSA-N;88.11;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36848;MM36848;CC(C=CCO)CO;QLZWQRFAAFMCBT-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36849;MM36849;C=CCC(N)=CC#N;IKBPJITXFLFYHJ-UHFFFAOYSA-N;108.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36850;MM36850;NN=CC(CF)CF;KIMCFFKXAIZKLX-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36851;MM36851;CCNN=C(C=CF)NN;DEGPBNFZXPRZGK-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36852;MM36852;CCC(O)C=CCO;WPLHQARBFZMPTI-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36853;MM36853;C#CCNC(=NO)C(C)N;VPWVZLNUVBBAOJ-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36854;MM36854;C#CC(=NN)N(N)C=C;MFBPXKLSHWHXFC-UHFFFAOYSA-N;124.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36855;MM36855;OC(C=CCF)CF;ZXPLBMZZZXZETL-UHFFFAOYSA-N;122.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36856;MM36856;OCC=CC(F)CF;ARMKLQCYSKIYMB-UHFFFAOYSA-N;122.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36857;MM36857;C#CCN(C)C=NC=O;AFAGEROUPXAJMR-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36858;MM36858;C#CC=CC(C#C)=NN;ABCYRFGBLILNAR-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36859;MM36859;COC=CC(O)CF;HJHPSAQXKOKLJO-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36860;MM36860;CCNN=C(C)C(C)(C)F;KMVBQPOVXSUKDV-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36861;MM36861;CC=CN(N)C(=O)N(C)N;KDWSCCRSWZVWMH-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36862;MM36862;C#CC(CF)NC(C)C#N;DFSPSTCWFLCCCX-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36863;MM36863;CC(C)=CCN(C=N)C=O;IDMUROXMJOXWFL-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36864;MM36864;CNN=CCOC(C)C#N;FNINPURECNAFDV-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36865;MM36865;CC(C)(N)CC(=NO)NO;MDUXFFDERSXCLR-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36866;MM36866;C#CC(C#C)NC(C)=NN;XLXVIHWUZBZFLB-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36867;MM36867;C#CC(=N)N(C=NC)N=C;MPMYWQGBVMYEDQ-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36868;MM36868;CC(N)C(=NO)N(C)C;LHPZSVIGXHIMLH-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36869;MM36869;CCN=C(NN)OC=NN;MKWPCUJVQFWUTH-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36870;MM36870;C=NOCC(C=O)=CC#N;MRHQBWGEWQQNFG-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36871;MM36871;CCN(C)C(=NO)C(C)N;QOFKTYHSYZFREM-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36872;MM36872;CC(N)=CC#N;DELJOESCKJGFML-UHFFFAOYSA-N;82.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36873;MM36873;CNC(=NC=N)OCOC;HRCPNZIDZYSHBY-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36874;MM36874;CCNC(=N)C(O)C#N;HHZBRPMKHRVULK-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36875;MM36875;CNN(C=O)C=O;PCHWJYNCCFJDKQ-UHFFFAOYSA-N;102.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36876;MM36876;CCNN=C(C)CF;HYGFRLFCZBEYAD-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36877;MM36877;C=CCN(C=N)C=O;MBEBPZITAANPRS-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36878;MM36878;CCNC(=NC=N)OC;ONFCVNVQSUJMDF-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36879;MM36879;CC=CCN(C=N)C=O;TYJIIOMINRPREH-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36880;MM36880;CNN=CCOC=CF;LLSAWSWHPOBFLM-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36881;MM36881;C=CC(F)(C=NN)C=NN;XIRLVDNCOZGOSY-UHFFFAOYSA-N;144.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36882;MM36882;CON=COC(N)=CC#N;IDEPICFRCONCEV-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36883;MM36883;C#CC(=N)N=CN(C)N=C;DRXOBLAZHRNQPQ-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36884;MM36884;CCCC(=NC)N(N)C=O;COCSWDFVLRRUMA-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36885;MM36885;C=C(N=CNO)NC=NO;TWIRIFUQLUPXIP-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36886;MM36886;C=NNC(CN(C)C)=NO;YBQILXODYXQXFI-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36887;MM36887;CC=NN(C=N)C=NC=O;IKGMJHUFPDYWAT-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36888;MM36888;C#CC(C)C(=NO)N(C)N;VMFGEPKDRUUEGT-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36889;MM36889;C#CCC(=NO)N(C)N;QRLQPDDPHWHUOE-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36890;MM36890;CC(C=CC=O)CF;FFSCWNCLAZYLHN-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36891;MM36891;C#CC(C#N)=C(NC)OC;RWPRSSORNCIZPK-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36892;MM36892;C#CC(=N)N(C=NO)CC;KCMGKJDGUAPBDP-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36893;MM36893;C=CC=CC(O)CO;RYYFXSJXHNVZCA-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36894;MM36894;O=CC=CC(O)CO;MERWVFZVBUHPAV-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36895;MM36895;O=CC=CC(O)CF;YHPAHMJDGJSXJC-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36896;MM36896;N#CC=CC(O)CF;KNTVFHYNIPTORR-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36897;MM36897;C=NOC=NOCON=C;JJVMLXZGWMNGOH-UHFFFAOYSA-N;145.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36898;MM36898;O=CC=CC(F)CO;IQDKYXFSCZQZQP-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36899;MM36899;N#CC=CC(F)CO;AGPIDIMVKACVSW-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36900;MM36900;N=CN(N)C=O;WKWJTSXTSKVUQP-UHFFFAOYSA-N;87.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36901;MM36901;CC=NN(C)C=NC=O;BGKDWKDXZAABDT-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36902;MM36902;CON=CCN(C)C=O;KRKIALRGWUOXRR-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36903;MM36903;COC(C)C=CC=O;AYEVFSNRKGKTON-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36904;MM36904;C=NN(C)CC(C)(F)C#N;RJGWCVVPDAYGGD-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36905;MM36905;C=NN=CC(O)CO;JRHIAUFGZHQUAB-UHFFFAOYSA-N;116.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36906;MM36906;C=NN=CC(O)CF;SHVYADDXQOSFCU-UHFFFAOYSA-N;118.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36907;MM36907;C=NN=CC(F)CO;RIJZJTDULYTBMS-UHFFFAOYSA-N;118.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36908;MM36908;C#CCNC(C)(C#N)CF;SOEAXUWGUAMQJI-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36909;MM36909;CNN(C=O)CC(F)C#N;HCKZMGSOBBVZNY-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36910;MM36910;C#CC(F)CN(N)C=NO;NIBIMEWXHQZRFS-UHFFFAOYSA-N;145.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36911;MM36911;C=NN=CC(=O)N(C)C=N;MFTVQBNKFNYMIJ-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01969;MM01969;CCN(C)N=CC#N;WHBQRHMMHFLXTL-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36912;MM36912;C=NOC(=NC)N(C)N=C;QNGBUSJQLKNOJX-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36913;MM36913;CN(C=N)N=CC(=O)NN;AONIYDOPBUSPBE-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36914;MM36914;C#CC=CC(O)CO;GVAZHYLUAJPZAY-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36915;MM36915;CC(C=O)C=CCO;UVOXACWFJOBHBP-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36916;MM36916;CCC=CC(O)C=O;YMXITHLYMHYGFS-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36917;MM36917;N#CC(F)C=CCO;ODDGFZHNTWMQRA-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36918;MM36918;COC=CC(C)C#N;OODCHGUCJMLURQ-UHFFFAOYSA-N;111.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36919;MM36919;COC=CC(O)C=O;IZWSNFIURPCZBJ-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36920;MM36920;COC=CC(O)C#N;XSXVPTKHFLQCQK-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36921;MM36921;N#CC(=CN)N(O)C=N;NDKMGDNXGJMTPZ-UHFFFAOYSA-N;126.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36922;MM36922;CN(C=N)N=CC#CCO;RDGNSYYTVDMLNY-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36923;MM36923;C=NNCCC(F)F;LDGWXWHKLHBYQA-UHFFFAOYSA-N;122.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36924;MM36924;CNN=CC(O)C#N;PICKFGXQYUTTKL-UHFFFAOYSA-N;113.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36925;MM36925;CC(C)N=C(NN)NC=O;LKABEDHEFLUSCE-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36926;MM36926;C=CN(O)C(C)=NC(C)=N;NGMAUEPAHAMDKR-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36927;MM36927;CNC(CF)=NOC;AXUNZUSHCJQLHI-UHFFFAOYSA-N;120.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36928;MM36928;CON=CC(O)C#N;FLHSQRSVGXCECG-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36929;MM36929;OCC(CO)NN=CNO;GNWQSWFSRCKUQS-UHFFFAOYSA-N;149.15;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36930;MM36930;C=NNC(=O)CC#CCN;UJNFTBLKJSOKDD-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36931;MM36931;CN(C=O)C=CCF;AUPUQBUCHKVTBT-UHFFFAOYSA-N;117.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36932;MM36932;CCC(=NN)C(C)F;LGDOENCBNVGMPU-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36933;MM36933;C#CC(C)(OC)ON=C;WZGANDMTMWAVNS-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36934;MM36934;COC=CN(C)C=O;RYAAFOZXXFHSIB-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36935;MM36935;C=C(CC)N(C=N)C=O;BWSYEQPLQDDNFB-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36936;MM36936;CCC=NOCCC#N;TZNNYYNKNUPMCQ-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36937;MM36937;CNC(=NCCC#N)NO;XAHJIMKOHQNHQK-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36938;MM36938;C#CC(N)(C#CC)C(N)=O;IZLZTKBKYBXCPU-UHFFFAOYSA-N;136.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36939;MM36939;CC(C)(CF)NN=CNO;URIQJHHTRSZRJN-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36940;MM36940;CCNCC=NNC(N)=O;HDYSHJDGEFNLKM-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36941;MM36941;C=NN=CN(C=N)CC=O;IRGUAIBIJRVNEL-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36942;MM36942;CNN=C(C)COCCF;NORBLJBCJISZTM-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36943;MM36943;C#CC(C)(C=NNC)OC;PLIAZSMMSZGWRA-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36944;MM36944;C=NN(C)C(C#N)CCF;ZLZJFSNXXBBDCW-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36945;MM36945;C=CC(=O)C(CC#N)NC;NSUAPQSIUZNYFA-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36946;MM36946;COC(=NN)NC(C)(C)C;WHYKKIAVVDSSBE-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36947;MM36947;C#CCN(N=C)C(=N)C#C;LFUHGJMHDMVBOM-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36948;MM36948;C#CC(C=NNC)OC=C;WHBPBMVHWHHXPV-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36949;MM36949;C#CC(CCOC)=NNC;QCIKUDOMTOELMA-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36950;MM36950;CNN=C(C)N(C=N)C=N;OCKAQEFGHCBLKG-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36951;MM36951;C=CN(C=O)CC=NOC;GTNJMHAAULZAMT-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36952;MM36952;C=CC(C)C=CC=O;ZZYZHOPTOJSYSR-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36953;MM36953;CC(C=O)C=CC=O;NGXPBVIGDDHAOF-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36954;MM36954;CC(C#N)C=CC=O;LBAFUAFNVJRXIM-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36955;MM36955;CC(C=O)C=CC#N;SMDGUTRZKAGBPY-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36956;MM36956;C=CC(O)C=CC=O;CXHGZRZWHZNZQN-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36957;MM36957;C=CC=CC(O)C=O;UUWIWHKQIHPYQB-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36958;MM36958;C=CC=CC(O)C#N;IKBKAYVNCKGBIC-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36959;MM36959;N#CC=CC(O)C=O;ZSKMFMGWVUDIGT-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36960;MM36960;N#CC=CC(O)C#N;HQJOPLHIMBJKFF-UHFFFAOYSA-N;108.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15771;MM15771;O=CC=CC(F)C=O;HPCYBFFRLVRTEO-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36961;MM36961;C=NN=CC(O)C=O;YGOBNQSMKSWHKC-UHFFFAOYSA-N;114.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36962;MM36962;C=NN=CC(O)C#N;MCCRNEJZLYJFSQ-UHFFFAOYSA-N;111.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36963;MM36963;CCCC(N)=CC#N;GVLSDFZTXNJXLN-UHFFFAOYSA-N;110.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36964;MM36964;CN(C=O)C=CC#N;GLIFGWSXYFTJQC-UHFFFAOYSA-N;110.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36965;MM36965;NN=CCC(F)CF;UAFBHFQGNNOUIM-UHFFFAOYSA-N;122.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36966;MM36966;CC(C)C(CF)=NN;GGWABVLUYKKJMI-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36967;MM36967;C=CC=CN(O)C=O;OQUVNVZQMFXJFV-UHFFFAOYSA-N;113.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36968;MM36968;O=CC=CN(O)C=O;KINRQUPRQKDLDN-UHFFFAOYSA-N;115.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36969;MM36969;CNN=C(C)COC=O;RBIRNTKRLXKQRL-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36970;MM36970;CNC(=NOC)OC=O;GWSDJDUAKFMKPV-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36971;MM36971;CCN(C=NOC)OC;KHVHQRDSXYDXGJ-UHFFFAOYSA-N;132.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36972;MM36972;CC(=O)N(N)C(C)=C(C)C;FDJRCXLXLITMIO-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36973;MM36973;N#CC=C(N)CCCC#N;YYKXKPLSKAISJQ-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36974;MM36974;CN(C=O)C=NC=O;XZVDHFZUZKNINE-UHFFFAOYSA-N;114.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36975;MM36975;CC(=O)N(C)C(N)=CC#N;QPPUAZXOMQGPEJ-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36976;MM36976;C#CCN(OC)C(=N)CF;BCUMOERHBHVURI-UHFFFAOYSA-N;144.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36977;MM36977;C#CC(C=NNC)=COC;JPWMNJGIZZPSHO-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36978;MM36978;N#CCC=CN(C=N)C=O;QBRJHYCDUFQJCT-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36979;MM36979;CNC=CC#N;WDENHBKVUUOZOQ-UHFFFAOYSA-N;82.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36980;MM36980;CCC(N)=CC#N;TVOQXZXCTSAZQF-UHFFFAOYSA-N;96.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36981;MM36981;C=CN(O)C=NC=O;DSWLZBGIGPCHMA-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36982;MM36982;NC=CC(C=NO)=NN;DZGFZRIPCBPPCT-UHFFFAOYSA-N;128.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36983;MM36983;NN(C=NO)CC(F)F;NAXBXZMRQDKDCZ-UHFFFAOYSA-N;139.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36984;MM36984;COCON=C(C)C;ZHHOKCCJFKUHMX-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36985;MM36985;C=CN(C=N)C(=O)CC;DVTXWXPMVMBJQY-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36986;MM36986;C=NOCC(C#N)OC;WXEWCYKCHOOXAC-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36987;MM36987;C=NN=C(C)N(C)CC#N;SYODVTXHUDLZNC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36988;MM36988;CC(C#N)=C(N)N(C)C=O;DFVFIGLSIBTXEV-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36989;MM36989;C#CC(O)C(C)(F)CNC;XGOAOBKCORGOPS-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36990;MM36990;CN(C)C(=NC=O)NC=O;ZIFDJMJTRDPPKT-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36991;MM36991;CCN(N)C(=O)C#CCF;BQIYOCFFNXOSFZ-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36992;MM36992;CN(C=O)CC#CC=NN;WWTXZTPZTSNTLZ-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36993;MM36993;CN=C(C(C)C)N(N)C=O;JDQDFHNMUFCTMF-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36994;MM36994;CCN(NCCF)C(C)=O;YXXMKKLOPSHCKD-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36995;MM36995;CCN(C=O)C(N)=CC#N;STURLNTZUFUAIM-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36996;MM36996;CNN=CCOCCC#N;SSYAPHWSVQADTE-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36997;MM36997;CN(C=O)N=CC#N;FPHWIHOUHAIXIZ-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36998;MM36998;C#CC=CC(C)C#N;CJOHBPKROFTIAA-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM36999;MM36999;C#CC=CC(O)C=O;SWVKUNYXRQKDDX-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37000;MM37000;C#CC=CC(O)C#N;GLODBFWFQMJCNM-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37001;MM37001;CC(C)(C)N(C=N)C=O;YECCJXBYBKNQHK-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37002;MM37002;C#CC(=O)N(N)CCF;COVMXUSVAODUAA-UHFFFAOYSA-N;130.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37003;MM37003;C=NOC(=O)C(N)=NC;GOFUAOHBTUHQQT-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37004;MM37004;C=NNC(=NO)C(=N)NC;MRMKHIILEIAGTC-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37005;MM37005;C#CC=CN(O)C=O;AJHXLKRKWIUDQC-UHFFFAOYSA-N;111.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37006;MM37006;C=NN(C)C(N)=CC#N;NEHPZURHEPDYML-UHFFFAOYSA-N;124.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37007;MM37007;C=NN(C=N)C=NC=O;NNMKPVREVANGCI-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37008;MM37008;C#CC(C)C=CCO;MAHAZIAXVMCKLA-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37009;MM37009;CC=NOCC(N)=CC#N;VHMHXIBYAMDPMD-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37010;MM37010;C#CC(O)C=CCO;OGQSUUQMBHZWMP-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37011;MM37011;CNN(C=O)C=NN(C)C;RXIKIDXGRFSEMO-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37012;MM37012;C#CC(O)C=COC;TZCPWKCBESUPRP-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37013;MM37013;CNN(C=O)C(C)=CC#N;BIKBETPZJFUGNH-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37014;MM37014;N#CC=C(N)N(C=N)C=O;HOYBKZMUZQCXKJ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37015;MM37015;C#CC(O)C=NOC;RBNMJIJOGBIEKG-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37016;MM37016;C#CC(C)C=CC#N;DTWHDPTUPMLPRL-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37017;MM37017;CON=CCCF;FCPNEGDAAPBHIY-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37018;MM37018;C#CC(O)C=CC#N;JJTDUUIUBVMDBE-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37019;MM37019;C#CCOC(=C)C=NN;RFDDUYQCSVMTPN-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37020;MM37020;C#CC(O)C=NN=C;FGEJRWCTEPJYFG-UHFFFAOYSA-N;110.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37021;MM37021;COC(=O)OCC=NN;NDGMJNQSLVBCLF-UHFFFAOYSA-N;132.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37022;MM37022;C#CC=CC(O)C#C;FZXLEKBTFCGPBH-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37023;MM37023;C=NNC(=O)C(=N)N;AGBDNPDMGQULMX-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37024;MM37024;C=C(C=CCO)CO;QQBXZFOUAJWMCW-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37025;MM37025;CCC=CC(=O)CO;IQPSGXTUSZUIMJ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37026;MM37026;O=C(C=CCO)CF;LKPBOWSWRZMXTA-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37027;MM37027;CCC(=O)C=CNC;DGOPHEBGEQHPHG-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37028;MM37028;CNC=CC(=O)CF;WKHNKLNZYVSZEH-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37029;MM37029;C#CC(CCOC)=NN;MMBNFGUZXANTET-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37030;MM37030;C=C(C=COC)CO;NJTHHBMAIOJPAF-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37031;MM37031;CC(C#N)CN(C)CC#N;ICHQOXQVSMKMIU-UHFFFAOYSA-N;137.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37032;MM37032;COC(C=NN(C)C)CF;BNLKMXKEQDXQMC-UHFFFAOYSA-N;148.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37033;MM37033;CNC(=N)NC(C#N)C#N;SJSNVFIVENGHQY-UHFFFAOYSA-N;137.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37034;MM37034;N=CN=CN=CN(O)C=N;FMFMMFHWQBEQMV-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37035;MM37035;CCC(=N)N=C(C)N(C)O;IKEKVJXAEJVOOM-UHFFFAOYSA-N;143.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37036;MM37036;CCC=CC(=O)NO;SYCVAEXBSCVWNH-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37037;MM37037;C=NOC(=O)NC(=C)CN;BSAVUUFYPSZRRP-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37038;MM37038;CCN(CC#N)CCC#N;YXIGOZBTLYLLNY-UHFFFAOYSA-N;137.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37039;MM37039;C=CC(=NC)N(C=C)C=O;MPKRMONSWOXRCN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37040;MM37040;C=C(F)C(C)NN=CNO;CXRVOZBTHTXZNF-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37041;MM37041;COC=CC(=O)NO;VTJQBJXOMGXFDY-UHFFFAOYSA-N;117.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37042;MM37042;CNC=CC(=O)OC;GGISTIZBGKODNN-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37043;MM37043;COC=CC(=O)OC;AUTCCPQKLPMHDN-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37044;MM37044;COCCC=NOCOC;GTHFCWBPHANKAG-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37045;MM37045;CNN=C(C#CC=O)NC;UQCLLVMBGTUOJU-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37046;MM37046;CNN=CC(=O)CO;KXAPQALWUWXAKA-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37047;MM37047;C=C(F)CN(N)C=NNC;KGVXYXPNSOHADW-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37048;MM37048;CNN=CC(C=O)NC;HJWPIIYKMHEDES-UHFFFAOYSA-N;129.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37049;MM37049;CCNN=CC(C=O)NC;JFRIZXXHFBMQIJ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37050;MM37050;C#CC(O)C(=NC)NC=C;ALVNEWMYACOAPJ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37051;MM37051;CC(=NN)N(C=N)C=CF;XFICLSZCDUBOFM-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37052;MM37052;N=CNC(=NO)NN;UMCPPSGSMOOFRL-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37053;MM37053;CNN=CC(=O)NO;CYPWSCSHCHZUPI-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37054;MM37054;CC(COC=O)=NN;DRQRXDGEBYJSTE-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37055;MM37055;C#CC(C=NN)OC;LFHAYODJBBUAOW-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37056;MM37056;CON=CC(=O)NO;XVABCOFFSNMRQM-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37057;MM37057;C=C(C)N(C=N)C=O;XTBWZOQLGYRPSL-UHFFFAOYSA-N;112.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37058;MM37058;C=NN=CC(=O)N(C)N;BGVBPDKQUZMNCF-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37059;MM37059;C=C(C=CC=O)CO;DFORNNCHKHPZEZ-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37060;MM37060;C=C(C=CC#N)CO;UUESZWLORBCTIB-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37061;MM37061;C=CC=CC(=O)CO;XLQSSDLYYGGCKO-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37062;MM37062;N#CC=CC(=O)CO;MTOVCPSXNBHHAN-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37063;MM37063;O=CC=CC(=O)CF;ICQPJKHDOCQAGP-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37064;MM37064;N#CC=CC(=O)CF;WCZJSUPOJCJKBA-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37065;MM37065;C#CC(=C)OCON=C;YUJHKCHNEATHHP-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37066;MM37066;CN(C=O)C(N)=CC#N;DKLUCXFXPIKZOH-UHFFFAOYSA-N;125.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37067;MM37067;C=NN(C=NC)CC#N;VDLVCLRWARVDTM-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37068;MM37068;CC(=O)OC(N=CN)=NN;NQWMHTIRZGKGDK-UHFFFAOYSA-N;144.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37069;MM37069;NC=CC=NOC=NN;XTRWFNIVWDZBPB-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37070;MM37070;C#CC(F)C(O)CN(C)C;INKGEGYVQMRWHO-UHFFFAOYSA-N;145.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37071;MM37071;CNC(=O)C=CC#N;GQZREYGCHUKANV-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37072;MM37072;C#CCN(N)C=NC=NN;PNVSROVUPQKDLP-UHFFFAOYSA-N;139.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37073;MM37073;N#CC=CC(=O)NO;NKOGXBHJMIMWFF-UHFFFAOYSA-N;112.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37074;MM37074;COC(=O)C=CC=O;CRBJVPSOOMDSPT-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37075;MM37075;C=NN=CC(=O)CO;JVKPMEYHXCMIJE-UHFFFAOYSA-N;114.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37076;MM37076;C=NOCCOCC#N;BPHIWICFXRNSKC-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37077;MM37077;C=COCC#CC=NN;TYGPCLHZEZUTLK-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37078;MM37078;C=COC=C(F)C(=N)NN;CUHYHRACBVHAJV-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37079;MM37079;C=NN=CC(=O)NC;ARCPZOGVQVWGRY-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37080;MM37080;C#CC(=O)NC(=CC)CN;ZWWXYOJFINTUPE-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37081;MM37081;C=NN=CC(=O)NO;GTARQQOVLPHIMS-UHFFFAOYSA-N;115.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37082;MM37082;C#CC=CC(=O)CO;ZZRACYPQIQABTH-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37083;MM37083;CNN=CC#CCOC;YVFHCZHTGQZYDS-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37084;MM37084;C=NN=CC(=N)NCC#N;CSFVDQIYSTYNPG-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37085;MM37085;C#CC=CC(=O)OC;AHMIYBXPGOFGQT-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37086;MM37086;C=C(C=O)C=CCO;IJLBKIVKHXXRMR-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37087;MM37087;C=CC(=O)C=CCO;VDIMGLBDDYNGKV-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37088;MM37088;CCC=CC(=O)C=O;XTXIMOHZXQXNJJ-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37089;MM37089;N#CC(=O)C=CCO;ZVKFLTGMRRANLC-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37090;MM37090;N#CC(=O)C=CCF;CKDPFVCZQQGWMU-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37091;MM37091;C=CC(=O)C=CNC;WMDBQCIFFWDYNZ-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37092;MM37092;COC=CC(=O)C=O;HLKHKQWEGTZGRE-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37093;MM37093;COC=CC(=O)C#N;RTKPOYQWTMSBFB-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37094;MM37094;C#CCC#CC=NNC;FKXXBSCSZDUNNP-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37095;MM37095;C#CC(N)C(O)COCC;MIFJTPCUWVXCAX-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37096;MM37096;NCC#CC=NOC(N)=O;CLFPZRBNONVWCG-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37097;MM37097;C=C(C)CNC(C=O)C=O;WRTWCUASXNYCEI-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37098;MM37098;C#CC(C)(ON=C)ON=C;IRDFHQMIHRCLGQ-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37099;MM37099;C#CC(=O)N(N)CC(C)C;CAHCBHMNXPVEHD-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37100;MM37100;C=C(C#N)C=CC=O;UFADMMRPIRHKMY-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37101;MM37101;C=C(C=O)C=CC#N;OFWHVCBGDILZHF-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37102;MM37102;C=C(C#N)C=CC#N;QJBVMPPHCLJUSE-UHFFFAOYSA-N;104.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37103;MM37103;C=CC(=O)C=CC=O;GZYGWTRPHYTZLR-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37104;MM37104;C=CC(=O)C=CC#N;RJNVEYLHZBCHFP-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37105;MM37105;C=CC=CC(=O)C=O;ZRZMALALNQXOOZ-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37106;MM37106;C=CC=CC(=O)C#N;VMOMJXWBYDDGLB-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37107;MM37107;N#CC=CC(=O)C=O;VIIODMQRWCKOET-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37108;MM37108;N#CC(=O)C=CC=O;NODCUKIOIZGEOU-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37109;MM37109;C#CC=CC(=O)C#N;HOIKSHVYVPGQOQ-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37110;MM37110;C#CC(=O)C=CCO;YOPJUYBZFKQBPK-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37111;MM37111;C#CC(=O)C=CNC;WKVZSKPDMIZGOP-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37112;MM37112;C#CC(=O)C=COC;WTKNNDVVEQUXNI-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37113;MM37113;C#CC(=O)N(N)CC(=C)F;UADFALGHWIXGDA-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37114;MM37114;C=CCNC(C=O)C(C)=O;STRXETGIBGRPOI-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37115;MM37115;C#CCNCC(C)(O)CF;PUWNZPWFFHSVOO-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37116;MM37116;C#CC(=O)C=CC=O;FFSIDVGOMGCOMZ-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37117;MM37117;C#CC(=O)C=NN=C;KOCSTSRWPYNMLF-UHFFFAOYSA-N;108.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37118;MM37118;C=NOCOC(=O)OCC;HVJABELATUBWPT-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37119;MM37119;CC(C)=NNC(=O)C(=N)N;RTFMVEHICKKGEW-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01989;MM01989;COC=CC(C)=NO;XGYUISVPUKCQSZ-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37120;MM37120;CON=CCC(N)=CC#N;ANUFWUYEKDSBJJ-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37121;MM37121;CC=NN(C)C(C)=NC=O;BRXPAYNYKRQNNS-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37122;MM37122;CC=NNC(=O)C(=N)N;BFDNPTZWHBSNQH-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37123;MM37123;CNN=CC(C)=NO;CUCVRMUPKJJKGC-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37124;MM37124;C=CCC=C(CN)NC=O;UKNDSJMSAMPPQG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37125;MM37125;CON=CC(C)=NO;BZVZLHOMCKZNGR-UHFFFAOYSA-N;116.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37126;MM37126;CC=C(C)C=CC#N;ZRMKZNXJFDQRAW-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37127;MM37127;CC(C=CC=O)=CF;HQRBLKKKVLWPFQ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37128;MM37128;CC(C=CC#N)=NO;ZVIHTWKQZUDRCD-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37129;MM37129;CCON=CC(=O)N(C)N;XNGCKZIAICVFDW-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37130;MM37130;CCCC=C(CN)NC=O;JYBZRTKRJONDQU-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37131;MM37131;CC=NN=CC(=O)N(C)N;CBCPVHGHQPHFTD-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37132;MM37132;CCC=NNC(=O)C(=N)N;CXXIZGWTMHRQII-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37133;MM37133;CC(C#CCO)CO;UYKLWMUMVRIOLX-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37134;MM37134;CC(C#CCF)CO;CCFRERRKICDPKZ-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37135;MM37135;C#CCCN(N)C(=O)C#C;TVGWTRAYGLMUNE-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37136;MM37136;CC(C#CCO)CF;RHSLAOKFYRZPRR-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37137;MM37137;C=CC(=NO)C(=N)NO;OUKVHIYTZIGTNV-UHFFFAOYSA-N;129.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37138;MM37138;CCC=CC(O)C(N)CF;CJZZSKNWMRPCJJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37139;MM37139;C#CCNN(C=O)CC#C;WCRAGBCCSVPSIQ-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37140;MM37140;CCC(O)C#CCO;SBFXIKAUMNVVCT-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37141;MM37141;C=CC(=NCC#N)N(C)O;DZEDPAJDHWMVNR-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37142;MM37142;OC(C#CCF)CF;CQEWPLPTQCEMMG-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37143;MM37143;C#CC(=O)N(N)CC;VJCATJWAMMLPPG-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37144;MM37144;C=CC(O)C(N)CF;RRIWTZOHMSRAMO-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37145;MM37145;C=NN(C)C(=N)C=O;QUQVZNHWNDIPLD-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37146;MM37146;OCC(F)C#CCF;CSMMVEFWZNDKNU-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37147;MM37147;CC(C)(O)C(N)C#CCF;SLMYRKJMAQOZNA-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37148;MM37148;OCC#CC(F)CF;ZNFAFKJHRAZBOU-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37149;MM37149;C=CC=NOCC#N;YQUKWWOXVRZTRX-UHFFFAOYSA-N;110.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37150;MM37150;C#CC(=O)N(C=C)C=N;WKVRTVFISXHPAX-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37151;MM37151;COC(C)C#CCO;LIDHNQKOTWIWKB-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37152;MM37152;CCC(C)C#CC#N;CUJRFMJZRYIDBR-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37153;MM37153;CC(C#CC=O)CO;PIWWDHZYXZPNTR-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37154;MM37154;CC(C#CC#N)CO;CWVABZPRJVWTPR-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37155;MM37155;C=NN=CCNCC#N;PRRBNORSXDSUHN-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37156;MM37156;CN(C)N=CC(=O)N(C)N;AJAPUMYYXGCYLH-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37157;MM37157;CCC(O)C#CC#N;LQSJDBUGPDLAIC-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37158;MM37158;O=CC#CC(O)CO;GJOZDIZECFPSFV-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37159;MM37159;O=CC#CC(O)CF;UVHPWHFAFQWPLI-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37160;MM37160;N#CC#CC(O)CF;WQSZZCNQZXTXOC-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37161;MM37161;C=NN(C)C=NOC(C)=O;XZTFENYXRMGWEC-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37162;MM37162;C=CC#CC(F)CO;PQIFLXIIOXGHSS-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37163;MM37163;O=CC#CC(F)CO;PSKQUFMVJGGORO-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37164;MM37164;C#CC(C)=NOCC=NN;BPFNMDCLYDSPNL-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37165;MM37165;C#CC(C=NNC)CC#N;BVOZPMBGLWEJGZ-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37166;MM37166;COC(C)C#CC=O;CXSRDHYCPDJDLM-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37167;MM37167;C#CC#CC(C)CC;FFTVMTCBUAIAMB-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37168;MM37168;CC=NOCC(C#N)=CN;GHLIOGRXAIBOEO-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37169;MM37169;C=CC#CC(=N)N(O)C=N;UHGDFOJSDHKXQQ-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37170;MM37170;C#CC=NOCC=NNC;GJBJICYPUDEATI-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37171;MM37171;C#CC(=C)C(N)(C=C)CO;SUSHIMQCQLJHKN-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37172;MM37172;C#CC#CC(O)CO;HTSJRSMYNQESNY-UHFFFAOYSA-N;110.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37173;MM37173;C#CC#CC(O)CF;FLAGVZVMILSXJL-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37174;MM37174;C#CC#CC(F)CO;OKEKGPKTHIQBGO-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37175;MM37175;C=NOCCC#N;WZCYQZAKNIYIDS-UHFFFAOYSA-N;98.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37176;MM37176;CC(C#CCO)C=O;DAEDVSIPODMRKB-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37177;MM37177;CC(C#N)C#CCO;RXBUGCZGHCDXME-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01827;MM01827;CC(C#N)C#CCF;WLMXBBURMXBFEP-UHFFFAOYSA-N;111.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37178;MM37178;C#CC(C)(C=NN)OC;KRQSFFTWODJFLA-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37179;MM37179;COC(=O)N(N)C(C)C;PEKJVRGLLHQDJN-UHFFFAOYSA-N;132.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37180;MM37180;C=CCON(C)C(=N)NO;RBEKWQCJFSTEBO-UHFFFAOYSA-N;145.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37181;MM37181;C=CC(O)C#CCF;YBGWYTAEIPHWIG-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37182;MM37182;CCC#CC(O)C#N;XGGTXNVYGPDLFL-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37183;MM37183;N#CC(O)C#CCO;UIQOYQNCQZEPGU-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37184;MM37184;N#CC(O)C#CCF;OEDJHROKGMNIBJ-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37185;MM37185;C#CC(C=NN)OC=C;SQUFNBBNARMBMW-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37186;MM37186;O=CC(F)C#CCO;AKZCHXWSRAGWOO-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37187;MM37187;N#CC(F)C#CCO;DQXYKKIRCPUQGI-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37188;MM37188;C=CC(C)C#CC#N;QUUVZWVWHAJXQS-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15423;MM15423;C=CC#CC(C)C#N;USPQDBKUYFEXGG-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02468;MM02468;CC(C#N)C#CC=O;HCRAXUWZJOCOAC-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37189;MM37189;CC(C#CC#N)C=O;YFQDZGCZLDFDBJ-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37190;MM37190;C#CC(C#C)(C#N)NC;VKCFBQDMCPUKHK-UHFFFAOYSA-N;118.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37191;MM37191;C=CC(O)C#CC=O;PVTVLMKNSVWPHA-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37192;MM37192;C=CC(O)C#CC#N;OUNMRSYOVIZBMI-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37193;MM37193;C=CC#CC(O)C#N;ODIAXXHIFZWKPO-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37194;MM37194;O=CC#CC(O)C=O;JGKGCWLMGPVIBB-UHFFFAOYSA-N;112.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37195;MM37195;N#CC(O)C#CC=O;IKVGDSQGOBVFQB-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37196;MM37196;N#CC#CC(O)C=O;QXGHGTQBAJIBMD-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37197;MM37197;N#CC#CC(O)C#N;QHIHPXRHVWACIV-UHFFFAOYSA-N;106.08;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15662;MM15662;O=CC#CC(F)C=O;KFNJYWCDXNKXDJ-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37198;MM37198;N#CC(F)C#CC=O;RYBVXCZNDTYDPR-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15612;MM15612;N#CC#CC(F)C=O;QKCAOYCQSXNJIL-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15967;MM15967;N#CC#CC(F)C#N;YPJBVGGPZDSMRK-UHFFFAOYSA-N;108.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15279;MM15279;C#CC#CC(C)C#N;SRQNOFQEIXPUHT-UHFFFAOYSA-N;103.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37199;MM37199;C#CC(C)(C#N)N(C)N=C;RJJIDERRWZMOPR-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37200;MM37200;C#CC#CC(O)C=O;KYZHFCHKIVTGDI-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37201;MM37201;C#CC#CC(O)C#N;LGVXCMYUVYEYJA-UHFFFAOYSA-N;105.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37202;MM37202;COC=NOCC(C)=NN;CJVQZJYYUTYFEK-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37203;MM37203;CCN(C)C(C#N)CC#N;RKFKPSPTVLCHNC-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37204;MM37204;C=NN(C=NC)C(=C)C=O;PRTCNESWWHLJKT-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-1,4-diyn-3-ol;MM01666;C#CC(O)C#CCC;MIHHNBNPGKCVMY-UHFFFAOYSA-N;108.14;0.39;23464986;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37205;MM37205;CON=CN(N)C(=N)CO;BJDCDULEXWSKHU-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37206;MM37206;C#CC(O)C#CCO;QWRXSKZVJYQGGI-UHFFFAOYSA-N;110.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37207;MM37207;C#CC(O)C#CCF;SNNQNTBVRVCUKF-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37208;MM37208;C=NN=CN(C=O)NCC;MCNZTOWPOISUDA-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37209;MM37209;C#CC(F)C#CCO;YMYHCFHHIQMKSC-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37210;MM37210;C#CC(C#C)OCC=NN;MWIVRNAOQOAULT-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37211;MM37211;C#CC(O)C#CC=C;MQFLDVHSLUROEP-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37212;MM37212;C#CC(O)C#CC=O;PXGDBYLCLSGJLO-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37213;MM37213;C#CC(O)C#CC#N;CWTHLTFOEJFMGJ-UHFFFAOYSA-N;105.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37214;MM37214;C#CC(F)C#CC=O;DOYBDYABYHTCKU-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37215;MM37215;C#CC#CC(C)C#C;SHBCRIDZOXFQIU-UHFFFAOYSA-N;102.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37216;MM37216;CNC(C#N)=NC=COC;UQGMRBFVEBHLRT-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37217;MM37217;C#CC#CC(O)C#C;QZFRCHKRVIIIOZ-UHFFFAOYSA-N;104.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37218;MM37218;C#CC(C=NNCC)OC;PLYANDPAXJUWOK-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37219;MM37219;C#CC=NN;YPLDOXNPVYSSSK-UHFFFAOYSA-N;68.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37220;MM37220;C=C(C#CCO)CO;MAMSOAJHKBOOFJ-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37221;MM37221;NN=CC=CF;PDYVRGXLYPQNGE-UHFFFAOYSA-N;88.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37222;MM37222;C=C(C#CCO)CF;WFTXVHQEZCPBST-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37223;MM37223;CCC(=O)C#CCO;DKLLSKRLKZVHBU-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37224;MM37224;O=C(C#CCF)CO;RPRNAQPRPIGSSB-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37225;MM37225;C=CC(F)C=NN;WMQWDZYNOZZDTD-UHFFFAOYSA-N;102.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37226;MM37226;CCNC=CC#N;WDIMKMYZVNRNFQ-UHFFFAOYSA-N;96.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37227;MM37227;CC(F)(C=NN)C=NN;ZZAMCVWKLSFTDZ-UHFFFAOYSA-N;132.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37228;MM37228;CON=C(CF)N(C)C;IIQJSMPGGQNLBR-UHFFFAOYSA-N;134.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37229;MM37229;CNN(C=O)C(=N)C=O;AYLWXMVFDFFCBM-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37230;MM37230;CN(N)C=NOCCO;LOBJYZSBNKQPDO-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37231;MM37231;CN(N)C=NOCCCO;PYUPDSBKXAGDDE-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37232;MM37232;C#CC(C=O)N(C=N)C=N;FVCAJVBFKMCWTG-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37233;MM37233;CCC#CC(=O)NC;NLTURMUFVOKKJY-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37234;MM37234;CC(CC=O)CN(O)C=N;PKQMNCAPGHAJSK-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37235;MM37235;CNC(=O)C#CCO;DVHJPRDTRBIVFR-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37236;MM37236;CNC(=O)C#CCF;IJOPPJLNAVFRDN-UHFFFAOYSA-N;115.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37237;MM37237;CCC#CC(=O)NN;OSPSEOWXFRNPQY-UHFFFAOYSA-N;112.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37238;MM37238;NNC(=O)C#CCO;JKBFMOWBRWAXQH-UHFFFAOYSA-N;114.1;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37239;MM37239;CCC#CC(=O)NO;XMGSJNXKKXSUGP-UHFFFAOYSA-N;113.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37240;MM37240;CC#CC(=NNC=N)OC;BSLPWTHWQCVGBS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37241;MM37241;C=NN=CC(C#N)NC;IMQLCXOAORGFAJ-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37242;MM37242;C=C(C#CCO)OC;VCRJSXOMGBPROX-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37243;MM37243;COC(=O)C#CCO;SYPLUFBJMSFMTN-UHFFFAOYSA-N;114.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37244;MM37244;COC(=O)C#CCF;YUKZQGOHIRGNJN-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37245;MM37245;C=C(C#CC#N)CC;LDZSVFJBZWTICU-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37246;MM37246;C=NOCON=COC;CEPLIFYJGLZUTA-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37247;MM37247;C=C(C#CC=O)CO;YHGQAWOPHLJFCB-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37248;MM37248;C=C(C#CC#N)CO;QJLWBTBWKKGLIN-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37249;MM37249;CCC(=O)C#CC=O;YEDZTLDROYAXLS-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37250;MM37250;CCC(=O)C#CC#N;WUNSCXMCSJTPCS-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37251;MM37251;C=CC#CC(=O)CO;HEUJEXSRXSFRBD-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37252;MM37252;O=CC#CC(=O)CO;TYCFFKJDVUCQDL-UHFFFAOYSA-N;112.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37253;MM37253;N#CC#CC(=O)CO;JXENTYSTEHZTMU-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15572;MM15572;N#CC#CC(=O)CF;QVRVJOWSPVZCFO-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37254;MM37254;C=NN(C)CC(F)CC#N;CSFADKDMOYHTSQ-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37255;MM37255;C#CC(=O)N(N)CC(=C)C;NGGUXILPMOUZIU-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37256;MM37256;CNN(C=O)C=C(F)C=O;IKIPZNPPFNHJEI-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37257;MM37257;C#CC(=C)C(=O)N(N)C=N;UWWDAASPNCNFNP-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37258;MM37258;C#CC(=NNC=N)OC;RDSOKBMLUPPOQV-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37259;MM37259;NC(C#CC=O)=NO;UHTBAUJDRZZTEX-UHFFFAOYSA-N;112.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37260;MM37260;C#CC(=NNC=N)OCC;VBPHWGWPRGSTFN-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37261;MM37261;C=CC#CC(=O)NC;CHELSRVPTAEGMU-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37262;MM37262;CNC(=O)C#CC=O;PRUCVNAPANQJPF-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37263;MM37263;CNC(=O)C#CC#N;PGXBVXCVDBSFQL-UHFFFAOYSA-N;108.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37264;MM37264;C=CC#CC(=O)NN;BHESOEROESPEMK-UHFFFAOYSA-N;110.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37265;MM37265;C=CC#CC(=O)NO;DCOAYRCBFSEQTF-UHFFFAOYSA-N;111.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37266;MM37266;O=CC#CC(=O)NO;WAGAKSHNBYIMOC-UHFFFAOYSA-N;113.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37267;MM37267;C=C(C#CC=O)OC;ZQJXEHDYAIJLBS-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37268;MM37268;C=CC#CC(=O)OC;VKQCAJBCAGERTI-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37269;MM37269;COC(=O)C#CC=O;OIUBWCSSRBJADY-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37270;MM37270;C#CC#CC(=C)CO;AMJFUAKZDPPUQP-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37271;MM37271;C#CC#CC(=C)CF;WXCRIELIXLMLHX-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37272;MM37272;C#CC#CC(=O)CO;YSJKTWNMBOVSLT-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37273;MM37273;C#CC(=O)N(N)CC=CF;RPABVJLLDIKDCW-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37274;MM37274;C=NN(C)C=NN=CC=O;HKQMMUFGSDMZEH-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37275;MM37275;COC(=NNC=N)NN;LCAVAABAGRPBKV-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37276;MM37276;C#CC#CC(=O)NC;CASSNOQVXSWPBI-UHFFFAOYSA-N;107.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37277;MM37277;C#CC#CC(=O)NN;FJBBQZAFFNMTNP-UHFFFAOYSA-N;108.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37278;MM37278;C#CC#CC(=O)NO;XKDVZXDAYYPIJF-UHFFFAOYSA-N;109.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37279;MM37279;C#CC#CC(=O)OC;ZRXWLTFSYYOJHU-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37280;MM37280;C=CC(=O)C#CCO;DAYSSENUAKLMBZ-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37281;MM37281;N#CC(=O)C#CCO;VADXSZMJUANZRM-UHFFFAOYSA-N;109.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37282;MM37282;O=CC(=O)C#CCF;NCBRNXKNEIZQAO-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37283;MM37283;N#CC(=O)C#CCF;QOETUBLWPNIAIB-UHFFFAOYSA-N;111.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37284;MM37284;C=CC(=C)C#CC#N;KUXFKLMKWNTCQS-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37285;MM37285;C=C(C#CC=O)C=O;RTXMQAGFXOFYHN-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37286;MM37286;C=C(C#CC#N)C=O;PFGKYVLYCZSHMF-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37287;MM37287;C=C(C#N)C#CC#N;DGBLWCPZGRFTKL-UHFFFAOYSA-N;102.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37288;MM37288;C=CC(=O)C#CC=O;HQIBHAUGOVLASA-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37289;MM37289;C=CC(=O)C#CC#N;KQVGOTLAHNGMFD-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37290;MM37290;C=CC#CC(=O)C=O;HYQQJSUMXVVNLV-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37291;MM37291;C=CC#CC(=O)C#N;DIOSGPYUVGSAQP-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37292;MM37292;O=CC#CC(=O)C=O;VRCMAAWBVSHPAS-UHFFFAOYSA-N;110.07;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37293;MM37293;N#CC#CC(=O)C=O;VYUSNMNSPJCWKQ-UHFFFAOYSA-N;107.07;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37294;MM37294;N#CC(=O)C#CC=O;QGMIBIZDJRHWQR-UHFFFAOYSA-N;107.07;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37295;MM37295;N#CC#CC(=O)C#N;SKLDDJLHGMVSJY-UHFFFAOYSA-N;104.07;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37296;MM37296;C#CC#CC(=C)C=O;TUVWMONEXQHHCB-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37297;MM37297;C#CC#CC(=C)C#N;ODRFFZFNQYSJMR-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37298;MM37298;C#CC#CC(=O)C=C;CRZGMKZNCOYBMX-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37299;MM37299;C#CC#CC(=O)C#N;NKDLMIZSJJHBGH-UHFFFAOYSA-N;103.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37300;MM37300;CC=CCNN(C=N)C=O;ZAHWXGSVDHHYGD-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37301;MM37301;C#CC(=C)C#CCO;FKZUHPCFCFZCNS-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37302;MM37302;C#CC(=O)C#CCO;LARKWZIKIDNIOL-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37303;MM37303;C#CC(=O)C#CCF;PUZCUBJPMWEEKZ-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37304;MM37304;C#CC(=C)C#CC=O;ACEPBIWEOBKCHG-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37305;MM37305;C#CC(=C)C#CC#N;GBUBNZRYHHNIFF-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37306;MM37306;C#CC(=O)C#CC=C;VZBGMYGHFMKZCA-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37307;MM37307;C#CC(=O)C#CC=O;DHIZUJFAQLLPKY-UHFFFAOYSA-N;106.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37308;MM37308;C#CC(=O)C#CC#N;PMGZDHAXEWZEAH-UHFFFAOYSA-N;103.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37309;MM37309;C#CC#CC(=C)C#C;HVNPKEWQRQNLEE-UHFFFAOYSA-N;100.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37310;MM37310;C#CC#CC(=O)C#C;BZMNLHBDDGHUPT-UHFFFAOYSA-N;102.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37311;MM37311;CNN=CCON=CC=O;OVPWDTMWMCZNCL-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37312;MM37312;CC(C#CCO)=CF;VTAIEKFNMCMSHU-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37313;MM37313;CC=C(F)C#CCO;BXQFRJYSMJTWSR-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37314;MM37314;CCOC(=NNC=N)NN;AWAGDOJDZHSBRT-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37315;MM37315;C=NN(C)C(=N)CF;KWGKUTHTZNJGDK-UHFFFAOYSA-N;117.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37316;MM37316;N#CC=CC(=N)NO;QMNZRQWFKAMWFD-UHFFFAOYSA-N;111.1;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37317;MM37317;CC(C#CCO)=NO;KZBXBGJBUHIHMN-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37318;MM37318;CC(C#CCF)=NO;NQJOLENBHSVFDZ-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37319;MM37319;CC=C(C)C#CC#N;UPTCNLAIWXYFRL-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37320;MM37320;CC(C#CC#N)=CF;KHFBLOPYCVEBJT-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15435;MM15435;C=CC#CC(C)=NO;UFGSWAAGYCFOPH-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37321;MM37321;CC(C#CC=O)=NO;SOGFKKAXRVMCDD-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37322;MM37322;C#CC#CC(C)=CC;FARQRDJXULQNJB-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37323;MM37323;C#CC#CC(C)=CF;IUGQCVTVFSHTIY-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37324;MM37324;C#CC#CC(C)=NO;IFPSDNPMZGEIAP-UHFFFAOYSA-N;107.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37325;MM37325;CC(=O)N(C)N(C)C(C)C;IHGSWVRAASFWPU-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37326;MM37326;C=C(C)NC(=NN)OC;PXOAVYVVWGSOQA-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37327;MM37327;CC(=O)N(C(C)C)N(C)C;YKZXGIPHUFAWIB-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37328;MM37328;CC(=CCCO)CO;JPUQLWVPTQCGPG-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37329;MM37329;CC(C#N)CN(C=N)C=O;VUQDBNPDUBDCIL-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37330;MM37330;C#CC(C=COC)=NNC;DHXSXTQSOIUAFH-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37331;MM37331;C#CC(CON=CC)=NN;BEQRHCNEIYEFKT-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37332;MM37332;C=NOCOC(C)=O;RVUDYFZVSJMRCC-UHFFFAOYSA-N;117.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37333;MM37333;C=NN(C)C=CC#N;YWBXWJKJHTZVGW-UHFFFAOYSA-N;109.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37334;MM37334;C=NN(CC)CC(F)F;FRIQYKXXMTXSHY-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37335;MM37335;COCC=C(F)CO;PSKQWUNYFCWETK-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37336;MM37336;CCOC=C(C)OC;PDYIWVQGIWEBIQ-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37337;MM37337;C#CC(=NN)N(N)CC;DJEZJHMWEAHBNI-UHFFFAOYSA-N;126.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37338;MM37338;CC=NN(C)C=CC#N;RMAQQCBYWHBSDL-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37339;MM37339;CNN=CC(CF)CF;NHEOZSQDQUNART-UHFFFAOYSA-N;136.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37340;MM37340;CCNC(=NC=N)OCC;QNLLJXDYAOXFLJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37341;MM37341;C#CC(C=COC)=NN;MCDODCDPZCUPEG-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37342;MM37342;CC=NOCOCOC;XDIUMIURWQZHIP-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37343;MM37343;CC(=CCC=O)CO;IBMHQFONPGAFQE-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37344;MM37344;CC(=CCC#N)CO;GEGSRTVGPPRGQU-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37345;MM37345;CC(=CCC=O)CF;RMAWYFYAMZNKGX-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15344;MM15344;C=CCC=C(F)CO;SILXZCVLSNXFQN-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37346;MM37346;O=CCC=C(F)CO;PEUOXZBRZQYTTC-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37347;MM37347;N#CCC=C(F)CO;BWWBQRZBHHBYDS-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37348;MM37348;C=NN=COCON=C;KXRVPKJAWAYFKD-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37349;MM37349;CN(C)C(C)(C#N)CC#N;IDLJKVFIRZOWMV-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37350;MM37350;CC(=CNC=O)CF;LIAHJJCEIPBNCM-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37351;MM37351;C=COC(=O)OCC=NN;FPUYAQRBJHHHTE-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37352;MM37352;CC(=NC=O)N(C)CC#N;LUFFQKVTBWMYFX-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37353;MM37353;CC(=COC=O)CO;HMYMCTOTIKIUQE-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37354;MM37354;C=COC=C(F)CO;RYPAMWIZHNNAHQ-UHFFFAOYSA-N;118.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37355;MM37355;O=COC=C(F)CO;UDKRGLXIOQHOSW-UHFFFAOYSA-N;120.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37356;MM37356;CCC(C)=NNC=O;NKDJICNWUWBUNO-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37357;MM37357;N#CC(C(=N)N)=C(F)F;PSRQFQSZHWLWJR-UHFFFAOYSA-N;131.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37358;MM37358;COC=NNC(=N)N(C)N;ZTEHHUFLWUCJBS-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37359;MM37359;CC(CF)=NNC=O;VKDZWPHJKYFDGZ-UHFFFAOYSA-N;118.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37360;MM37360;COC(C)=NNC(=N)NN;IHSORMKAQWUFSF-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37361;MM37361;CON(C=O)C(=O)N(C)N;RCCYFSLJOGQKKT-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37362;MM37362;CCON=C(CF)NNC;ZLDCPIUBZMLFKV-UHFFFAOYSA-N;149.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37363;MM37363;CON=CCN(C)C(C)=O;PGUXXBPHZSSGSL-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37364;MM37364;CCOC(=O)N(C)C(C)=N;CTBZTKUXSYTQOE-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37365;MM37365;CCCC=C(C)C#N;UERFPWOELARGAL-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37366;MM37366;CC(C=O)=CCCO;ONFWMWZRZBFOKL-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37367;MM37367;C=CC(C)(C=O)NCC#N;SXOCWXNWRGDYSH-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37368;MM37368;CCC(=N)N(C)C(=O)OC;OVRRQOVUMHVGNZ-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37369;MM37369;C#CC(=O)N(C)CC=NN;HBLSMLICRFRXQK-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37370;MM37370;C=NN(C)C(=N)C#CC=O;LGVXUHORVGIFOZ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37371;MM37371;COCC=C(F)C=O;SKUWEKWJRMKLDX-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37372;MM37372;C#CC(C=NNC)OCC;PCLFXUUBPFFZTQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37373;MM37373;CCNC=C(F)C=O;YGGPNHQZFYNIJW-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37374;MM37374;C=CC(C)=CCC=O;UBNCSFPTYOCELD-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37375;MM37375;CC(C#N)=CCC=O;YXRAOOUAUGZRMA-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37376;MM37376;CC(C=O)=CCC#N;MNKFSAKYMNBDOA-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37377;MM37377;CC(C#N)=CCC#N;RMKHXYXVOAFVCQ-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37378;MM37378;N#CCC=C(F)C=O;HYHQWTIKSONKDF-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37379;MM37379;CCN(C=O)CC=NOC;UHRWNEVTKQXSBY-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37380;MM37380;CNC(=N)C(F)=C(F)C#N;UMBABWAJBQVGAU-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37381;MM37381;CC(C=O)=CNC=O;TURHXSGPLBUPAT-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37382;MM37382;CC(C#N)=CNC=O;VBNRRWZWMAXBNF-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37383;MM37383;CC=CN(N)C=NCCO;JTGHGDNGBKGQSE-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37384;MM37384;C#CC(C)(N)C=CC(C)O;ZABVWARYJXQUCD-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37385;MM37385;C#CC(=CCO)C(N)C=C;ODNRCJDFMICLGL-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37386;MM37386;C=COC=C(C)C=O;STYICVGJYHFXNG-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37387;MM37387;C=COC=C(C)C#N;LMGUVCKBAXTXES-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37388;MM37388;CC(C=O)=COC=O;QCZORTJDGYDXIY-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37389;MM37389;CN=C(NN)OC=O;DRHQZLCTTSGOED-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37390;MM37390;C=CC(C)=NNC=O;LKXAVCFLIUJSKH-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37391;MM37391;COCC(=NO)N(C)N;OFZOSFCXPMFBOT-UHFFFAOYSA-N;133.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37392;MM37392;CC(C=O)=NNC=O;ZKMNUWXLOROOAE-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37393;MM37393;CC(C#N)=NNC=O;ATGKPMRZZWKWFM-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37394;MM37394;CC(C#N)=NOC=O;MJCGBFNXITXDEY-UHFFFAOYSA-N;112.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37395;MM37395;C#CCC=C(F)C#N;BMVRKNVBNUNRQA-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37396;MM37396;CNN=CC=COCC#N;BZCWWHSVDYKJBN-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37397;MM37397;C=NOC=NN(C)C;RSWWYFLOIBRIDV-UHFFFAOYSA-N;115.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37398;MM37398;C#CC(C)=CCC=O;FBQOHNCJFRCJTO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37399;MM37399;CC=NOCC(=O)OC;ACCJNSHXTYTMHJ-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37400;MM37400;C#CC(F)=CNC=O;IPTHJQIUCQYVDN-UHFFFAOYSA-N;113.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37401;MM37401;C#CC(C)=NNC=O;TVMOSAKSGMGJCK-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37402;MM37402;C=NOCOC=NOC;GVTLRCVZRALEHQ-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37403;MM37403;C#CC(C)(N)C=CCO;PUHPUBWDLXJREW-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37404;MM37404;CC(=CC=NO)CO;RDDFFLIPBAAHGX-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37405;MM37405;C=NN=C(C)CN(N)C=O;FMXXTWYKFVHRQK-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37406;MM37406;CC(=CC=NO)CF;CDJFUNSROLULSF-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37407;MM37407;OCC(F)=CC=NO;IBKIJWHBJLBHDN-UHFFFAOYSA-N;119.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37408;MM37408;C=CN(OC)C(=O)N(C)N;BHOIIJVWQNVLGH-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37409;MM37409;C=NN(C)C=NC(=N)C=O;CMMLBZWNTYOWHB-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37410;MM37410;CCOCC(=NO)N(C)N;DPQKNJQUYLUAGJ-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37411;MM37411;CC=NN=CCN(N)C=O;YNRLLGGNKLHNAJ-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37412;MM37412;C=C(F)C(=NO)N(C)N;QXDGXPACRAEJCW-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37413;MM37413;CC=NOC(C=NN)OC;MBTDRDUNZILOKM-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37414;MM37414;CC(C=O)=CC=NO;MMWNNDGWYHCXIV-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37415;MM37415;CCNCC(=O)CNCC;HBKBFOLSXVJJEP-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37416;MM37416;C=CN(C=NC=NC)N=C;QJUCMDYYCNRBHG-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37417;MM37417;C=CC#CC=NN;HYJBBMSUIRQHLI-UHFFFAOYSA-N;94.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37418;MM37418;C#CC(C#N)C(CF)NC;XXYJAIVRMLILNE-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37419;MM37419;C#CC(C)=NN=CC;UZVOWZZQSYLNST-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37420;MM37420;CCC1(C)C(C)C1C;HSRGIZURKZXFRX-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37421;MM37421;C#CC(C)(C=O)ON=C;KANQUEJKJWLKBV-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37422;MM37422;CCC(C)NN=C(C)CF;KCURFKSQMCFFLL-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37423;MM37423;C#CCON(C)C=NOC;QXJQQYQXCBXZFI-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37424;MM37424;N=C(N)C(=O)NN=CC=O;PCUREPAIGWNETE-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37425;MM37425;C=NOCC(=CC#N)OC;UIECTOCKLWRSRD-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37426;MM37426;C=CC1(C)C(C)C1C;ZKQVJBXIDKGDIY-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37427;MM37427;CC1C(C)C1(C)C#N;CAVBXRYEMXUJMO-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37428;MM37428;C=NOCC(C#N)=COC;ZZVKTLGWLQNOSB-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37429;MM37429;CCNC(=O)CC#CCN;VCPANOKFFGNLRB-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37430;MM37430;CC1C(C)C1(O)C#N;GTAXWIUUDARJHF-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37431;MM37431;CC1C(C)C1(F)C#N;QCBANALWRGPTIB-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37432;MM37432;C#CC1(C)C(C)C1C;FFMYKARXPJPNRF-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37433;MM37433;CC=NOCOC=COC;BQBLWRJXRBNIFH-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37434;MM37434;NN=CCOC=O;KYWNEUOLOIUXOF-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37435;MM37435;C#CC1(O)C(C)C1C;KAKPHYXZAZRGOJ-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37436;MM37436;C=C(C)C#CC(C)=NN;CJYJRIDYCOGGNU-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37437;MM37437;C=C(C=NN)OCOC;BJYTYKZLARTHHP-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37438;MM37438;C=CN(O)C(=NO)N(C)C;SQOGUYVJZGCASQ-UHFFFAOYSA-N;145.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37439;MM37439;CNN=CC(C)(F)C=NN;WDORYFVNJPPDOZ-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37440;MM37440;CCON(C)C(=O)N(C)N;PWMOZBZBSCBCNW-UHFFFAOYSA-N;147.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37441;MM37441;CC(=NC(C)C#N)N(C)O;WLDRMJYEUKDFEG-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37442;MM37442;C=CC=CC(=N)N(N)C=O;HLSKBBYXIQTNBT-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37443;MM37443;C#CC(=C)N(C=N)CC=O;KZNONOONGZZPPH-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37444;MM37444;OCCC(CO)CO;SYNPRNNJJLRHTI-UHFFFAOYSA-N;120.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37445;MM37445;OCC(CF)CCF;GJWHLJMMGNEBJA-UHFFFAOYSA-N;124.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37446;MM37446;OCCC(CF)CF;PGXBQZKAACSRES-UHFFFAOYSA-N;124.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37447;MM37447;FCCC(CF)CF;GIOFGAMIRAMJQT-UHFFFAOYSA-N;126.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37448;MM37448;CN(C=N)C(=O)C#CC#N;ANNPPGHKUYTFBD-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37449;MM37449;CCCN(C)C(=NO)NO;PMEUPOMIGLEVJK-UHFFFAOYSA-N;147.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37450;MM37450;COCC(CO)CO;WCOCACOWLDIOSI-UHFFFAOYSA-N;120.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37451;MM37451;COCC(CO)CF;ODQUMMGEWCJGKT-UHFFFAOYSA-N;122.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37452;MM37452;NN=CCCOC(=O)CF;PHRHXHRSSMVZFO-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37453;MM37453;C=NN(C)C=NC=NC=O;YAWUHSYRWXRNBI-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37454;MM37454;C=CN(NC)C(=O)ON=C;BLLQGPKGHQVRAW-UHFFFAOYSA-N;143.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37455;MM37455;C#CCOCOCON=C;QZPOTOFRTGPAPU-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37456;MM37456;CCC(CCO)OC;GAMDXQSXPWOUOG-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37457;MM37457;CCCC(CO)OC;WGWLUEYOKURLOE-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37458;MM37458;COC(CO)CCF;ZDOWVAGXIXFLPO-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37459;MM37459;COC(CF)CCO;BYKQBGMZTXBBSF-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37460;MM37460;C#CC=NNCC=NOC;GSBSZGZAXCXFKU-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37461;MM37461;CCC(COC)OC;VFRGATWKSPNXLT-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37462;MM37462;COCC(CO)OC;RXDAPJJFRLSRPX-UHFFFAOYSA-N;120.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37463;MM37463;COCC(CF)OC;KMWMBTIZQDOOOH-UHFFFAOYSA-N;122.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37464;MM37464;CCCC(OC)OC;DZKUKLGGGNLHNY-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37465;MM37465;COC(CCO)OC;WREBPVIPZSZUDI-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37466;MM37466;COC(CCF)OC;PUQUJUFZWQBSHA-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37467;MM37467;C=NOC=NOCC=NN;YEXFPNWMDAPHCC-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37468;MM37468;COCC(OC)OC;DYOZNCVZPFIXLU-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37469;MM37469;C#CCC=NOC;DXTHEQDKVFTZMQ-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37470;MM37470;CCNC(=NO)NCC=O;DWDJMCKEKXJVQT-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37471;MM37471;C#CC(=N)N(O)C(=C)OC;ZKUCCQPSPRCXGJ-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37472;MM37472;C=NN=CN(C)N(C)C;NTNQKRYVWJPFTF-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethoxybutan-1-ol;MM01956;CCOC(CC)CO;YHTBJYLPKQOJAY-UHFFFAOYSA-N;118.18;0.79;20205172;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37473;MM37473;C=NN(C)CC#CC=O;FRWNBTAELKTEKZ-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37474;MM37474;CCOC(CO)CO;SROPVESHEGBQKZ-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37475;MM37475;CCOC(CO)CF;PTHFIUKDYQVTIB-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37476;MM37476;CCOC(CC)OC;CBQQIJZTSICUJL-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37477;MM37477;CCOC(CO)OC;KYIDVMQPYMVSEM-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37478;MM37478;CCC(CO)CC#N;YIZMYWLRVCSEQD-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37479;MM37479;C=CC(F)C=NNCC;XBOQUXJQOXRNIC-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37480;MM37480;CNC=C(C#N)N(O)C=N;IPQHWZHQKQMTBM-UHFFFAOYSA-N;140.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37481;MM37481;C=COC(=CC#N)NC;KVOUNYIPOYLPRG-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37482;MM37482;N#CCC(CO)CO;WBUVEBMDNADZAN-UHFFFAOYSA-N;115.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37483;MM37483;O=CCC(CO)CF;JORUQDJCENJXTN-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-fluoro-3-(fluoromethyl)butanal;MM02408;O=CCC(CF)CF;DFDIZYNUJBHBNO-UHFFFAOYSA-N;122.11;1.13;84647789;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37484;MM37484;C#CC(C#C)NCC#N;QDYKLEBGGFOZTH-UHFFFAOYSA-N;118.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37485;MM37485;CCC=CN(C=N)C=O;XEQTVUOYLFPAKL-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37486;MM37486;C#CC(=O)C(=C)N(O)C=N;PIMUGWDXLBQIKG-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37487;MM37487;CCC(CC#N)OC;VQVAYZOYBHCXFS-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37488;MM37488;C=CC(=N)N=CN(C)C=O;VBALKTHQQDOOES-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37489;MM37489;C=CCC(CO)OC;YWNFFEBNCAVKSU-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37490;MM37490;COC(CO)CC#N;JXDYPDQSUGRVOL-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02673;MM02673;COC(CF)CC=O;JQJVYBRPAJBEPR-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37491;MM37491;COC(CF)CC#N;BVWWGXZSUWLDFE-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37492;MM37492;C=CCC(OC)OC;YFTNGXPZDGKIMY-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37493;MM37493;COC(CC=O)OC;KXVQJIFNPZJOTG-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37494;MM37494;COC(CC#N)OC;JYHSJQNYYLGMEI-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37495;MM37495;O=CNC(CO)CO;ZMUNCSIDODXWDP-UHFFFAOYSA-N;119.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37496;MM37496;C=CC(C)NN(C=N)C=O;JBLSGYNRGYSCQY-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37497;MM37497;C#CC(C)CN(C=N)C=O;PPQGRMUWCREUNM-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37498;MM37498;CON=COCC(C)=NN;OPPLENJVBOESSE-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37499;MM37499;C#CCON=CN(C)N=C;GDDFWSNPMGHEHM-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37500;MM37500;C=COC(CO)CO;FXVPOABXANIWRP-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37501;MM37501;C=COC(CO)CF;QRFLVGPFLWAEAS-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37502;MM37502;C=COC(CO)OC;OOFXOOIBMTZKQR-UHFFFAOYSA-N;118.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37503;MM37503;COC(CF)OC=O;SDLFCHJRXKQPTH-UHFFFAOYSA-N;122.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37504;MM37504;CCC(=N)N=CN(O)C=N;IQFLNVWRWKGWNY-UHFFFAOYSA-N;142.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37505;MM37505;C=NN=CC(OC)ON=C;PDGRWZZRHMTMBE-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37506;MM37506;C=CCCN(C=N)C(C)=O;BCKAOTYBHQNUPC-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37507;MM37507;C#CCC(CC)CC;GKISQOLCVPEIAH-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37508;MM37508;CN(N)C(=O)N(C)N;GEHSPUUOOBRSAF-UHFFFAOYSA-N;118.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37509;MM37509;C#CCC(CC)CF;YYSPRYVOHHDAPL-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37510;MM37510;CN=C(C)N=CN(O)C=N;QZWSHBQCRNJGIF-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37511;MM37511;C#CCC(CO)CO;VQUPXDQUSUGLQR-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37512;MM37512;C=CN(O)C(CC#N)=NC;PQJQMVXWTZXKTI-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37513;MM37513;C#CC(C=NN)CF;IOXNFQPGYFOOME-UHFFFAOYSA-N;114.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37514;MM37514;Cc1cc(C)oc(=N)n1;UTDRUKAXMIBTLB-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37515;MM37515;CCC(C=O)CCO;CBSYYWQEKMTXTJ-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37516;MM37516;CCC(C#N)CCO;FPRZDTZZTXEMDF-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37517;MM37517;C=NOC(C)(C=O)C=O;CPEAORNWBCTNKS-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37518;MM37518;C#CCC(=N)N(O)CC#C;XNBSCDLZSSOICB-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37519;MM37519;C=NOC(C)(C=O)ON=C;KRQQNXBJNHVPDR-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37520;MM37520;C=CC(CO)CCF;FBDPVCLLWUKJSP-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37521;MM37521;CCCC(C=O)CO;SPDHZBSNNYHVHA-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37522;MM37522;CCCC(C#N)CO;LGOHHOGAZVMVSL-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37523;MM37523;O=CC(CO)CCF;PLFPCQKMBPPFRE-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37524;MM37524;C=CN(C=O)C(=O)N(C)N;TWPQSEWHGZEEOI-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37525;MM37525;O=CC(CF)CCO;GKRGLPYICWHFPL-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37526;MM37526;O=CC(CF)CCF;OANFNNNYUSOHLQ-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37527;MM37527;C=C(C#CC(C)N)C(N)=O;MARUWTNQDPVTCQ-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37528;MM37528;CN(N)C(=O)N(C=O)C=O;NGAWBDVTYIQEOA-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37529;MM37529;CN=C(C#CC=NN)NO;CQIFOYCOEXIMHZ-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37530;MM37530;C#CC(C#C)(C#N)NCC;NMQVMBCSPOFBTB-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37531;MM37531;CNN=C(CF)C(=N)NO;DOZKDMBGKHDMNR-UHFFFAOYSA-N;148.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37532;MM37532;CCC(C#N)COC;QCSUOPDMDKWCPO-UHFFFAOYSA-N;113.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37533;MM37533;C=COC=NOCON=C;BWASCUWJYXLRMT-UHFFFAOYSA-N;144.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37534;MM37534;C=CC(CO)COC;NXUYVCGEADMHAT-UHFFFAOYSA-N;116.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37535;MM37535;COCC(C#N)CF;BPPVHZPATCXZQZ-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37536;MM37536;C#CC(C)=NN(C)C;VXMMSMGNUNIGJW-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37537;MM37537;CC=NN(C)C=NOC;IBTHWSNTYQMNPK-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37538;MM37538;CC=NN=C(NN)N(C)C;LIMKBXDLELKLRC-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37539;MM37539;N#CCCN(C=N)C=O;HMQIVDYXYFECNV-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37540;MM37540;CN(C)N=CNO;VYVGZHPIMURLIP-UHFFFAOYSA-N;103.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37541;MM37541;C#CC=COCON=C;JEXQWNVNBVCOAD-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37542;MM37542;C=COC(=C)NC(=N)C=O;UYQVMOZIWKBUTI-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37543;MM37543;C=CN(C=C)C(=O)N(C)N;AJMSQSOTNVWKDW-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37544;MM37544;CON(C)C=NC(=N)C#N;RFJVELMYNLGUSJ-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37545;MM37545;C#CC(=O)N(N)C(C)CF;SUKKIDOCVPRFQM-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37546;MM37546;C=NN(C)C(=O)N(N)C=N;RDTQSASUNATDKK-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37547;MM37547;COC(C=O)CCF;QBOPELHMWMYGCE-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37548;MM37548;COC(C#N)CCF;NQUVIMFMQQKSQZ-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37549;MM37549;C=NN(C)C(N)=C(C)C#N;UMWKLMRSRJFAJE-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37550;MM37550;C#CCN(N=C)C(C)C#N;SBKOTONVWBMFAQ-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37551;MM37551;C=CC(COC)OC;IQYJHLNENJKEMV-UHFFFAOYSA-N;116.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37552;MM37552;COCC(C=O)OC;PNENILZGBBXDAG-UHFFFAOYSA-N;118.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37553;MM37553;COCC(C#N)OC;DFQDZETVYUYDGH-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37554;MM37554;C#CCNC(=CC#N)NC;CUXMZRFTFKSAAX-UHFFFAOYSA-N;135.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37555;MM37555;C=NNC(=N)NC(=C)C#N;FCQLHTJNTNRFKS-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37556;MM37556;CC=NOC=NNC(=N)N;JPKSHKOBUIZPFK-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37557;MM37557;C=NNC(=NNC)NC;JZPZFNLABAHDCX-UHFFFAOYSA-N;129.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37558;MM37558;CCOC(C#N)CO;IJJXVDXYNVVRJW-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37559;MM37559;C=CC(OC)OCC;OSNVYIMTVRQAMM-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37560;MM37560;CCOC(C=O)OC;WTJQHYPHINNSGE-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37561;MM37561;CCOC(C#N)OC;IOIWBTYLINLWRX-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37562;MM37562;C#CC(CON=C)=NOC;XKZJDZUAWQVFDP-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37563;MM37563;CC=CN(C=N)C=O;ZCPQIADJLLFKFX-UHFFFAOYSA-N;112.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37564;MM37564;CNCC(C)=O;UNCPWMREXAOVOD-UHFFFAOYSA-N;87.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37565;MM37565;COC(C)(C=NN)CF;YJGLYUUJVKFGAS-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37566;MM37566;C=CN(C)C(=O)N(C)N;OLBHMZSXBKJJHH-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37567;MM37567;CN(N)C(=O)N(C)C=O;ODTQPIIFMQJEDB-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37568;MM37568;CC(=O)N(C=N)CC(C)C;UVSUARVAEMOBTM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37569;MM37569;C=CCC(C=O)CC;UADJTDURPOSPRM-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37570;MM37570;C=CC(CO)CC=O;OENIPMINCUKJLA-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37571;MM37571;C=CC(CO)CC#N;OXELOHYJYGKKQZ-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37572;MM37572;C=CCC(C=O)CO;HYTIKKSUBLCNND-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37573;MM37573;C=CCC(C#N)CO;OJNMMEAHWFJNAF-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37574;MM37574;N#CCC(C=O)CO;WAXAZQPNHDTGFH-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37575;MM37575;N#CC(CO)CC=O;AZOMNYHLHQUFLG-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37576;MM37576;C=CCC(C=O)CF;FWXQMZCDPNRHTP-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15720;MM15720;N#CC(CF)CC=O;QECHUKFAAVNLBT-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37577;MM37577;N#CCC(C#N)CF;AOCIVMGRCGSRQI-UHFFFAOYSA-N;112.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37578;MM37578;CC=CN(C)C(=O)N(C)N;ZHWYIMDAXIUXAL-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37579;MM37579;C#CCOC(=O)CON=C;UYLLNSMZALZXOW-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37580;MM37580;C=NOC(C=O)=NNC=N;GDTZBHADKRFJBY-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37581;MM37581;C=NN(C)C(=CC#N)NC;RRFHKPAMFIDJTK-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37582;MM37582;C=CC(CC#N)OC;ZKPUDZUUMLCDQK-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methoxybutanedial;MM02655;COC(C=O)CC=O;ALNUSFKRAAYBAT-UHFFFAOYSA-N;116.12;-0.21;19607405;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37583;MM37583;COC(C=O)CC#N;XNQNXUGRPRHFKT-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15866;MM15866;COC(C#N)CC=O;YQUVLVZYOLEBLE-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37584;MM37584;COC(C#N)CC#N;XGRMEOWLQUNYNJ-UHFFFAOYSA-N;110.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37585;MM37585;COCC=C(C=NN)OC;YCGVEJQHYBJHRM-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37586;MM37586;CCC(C#N)NC=O;DJSYVVCUDIVSDI-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37587;MM37587;C=CC(CF)NC=O;CCAVFZBMNDFTAC-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37588;MM37588;C=NOCC(C=O)=C(C)F;KRLMPWCTEQHRNA-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37589;MM37589;CNN=CN(C)CCC#N;FNGQUTJSGDXWMX-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37590;MM37590;C#CC(=NNC=N)OC=C;NXRUBXZNFZLGDS-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15750;MM15750;CCC(C=O)OC=O;NGQRUFFRJOMBCW-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37591;MM37591;C=COC(C=C)CO;JWJZYGPEOJTOPO-UHFFFAOYSA-N;114.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37592;MM37592;C=CC(CO)OC=O;RRUDRBBERJBSQK-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37593;MM37593;C=COC(C=O)CO;SQZGOJNNYMKCIA-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37594;MM37594;C=COC(C#N)CO;VLYBARRGURXJQJ-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37595;MM37595;CNC(=NN)C(C)OC;GJPKGEKUTYTDFI-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37596;MM37596;C#CC(C)=NN;FVIDQNNSVAHZAO-UHFFFAOYSA-N;82.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37597;MM37597;C=COC(C=O)OC;AWJJISDKNVOMMI-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37598;MM37598;C=COC(C#N)OC;CDJGFTQJBAXSCZ-UHFFFAOYSA-N;113.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37599;MM37599;COC(C=O)OC=O;PKQPKVQUTCVAPN-UHFFFAOYSA-N;118.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37600;MM37600;COC(C#N)OC=O;MGRJDVZIKXXEQO-UHFFFAOYSA-N;115.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37601;MM37601;C=NN(C=N)C=CCC=O;KYPQMBBUYKPWNG-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37602;MM37602;CNC=C(C)C#N;LVTUJARNDCOXLB-UHFFFAOYSA-N;96.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37603;MM37603;CN(C)N=CCC#N;KJWMWCLQUMVLBS-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37604;MM37604;CCOC(C)C(=NN)NC;MTPKHNTZOJYYHB-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37605;MM37605;C=CC#CC=NNC;UJCMXRCTHQESES-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37606;MM37606;C=C(C)C(F)(F)C(=N)N;OCJRWVBZCINGNO-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37607;MM37607;C=NN=CN(C)N=CC;ASVSUFVRINJZBY-UHFFFAOYSA-N;126.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37608;MM37608;C#CC=CNC(C)=NN;IWKJTCPBZSGTDP-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37609;MM37609;C=NOCOC(=C)C=O;ANMJYHATZQGZBR-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37610;MM37610;C#CC(C=NN)OCC;YUIUASCEBSMWGM-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37611;MM37611;C=NOCOC=CC=O;RFBTXCZRUHVQAY-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37612;MM37612;CC=CC(=N)N(N)C(C)=O;LOIWWKXTBZXXLY-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37613;MM37613;C=C(C)C(C#N)(C=O)NC;URVCIEMGUBLBLJ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37614;MM37614;C=CCN(C=O)OC;ROVLZQCKNXARDW-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37615;MM37615;CON(C=O)CC#N;DCRXRDCXEZKTQY-UHFFFAOYSA-N;114.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37616;MM37616;CCN(C=O)OC=O;GITBAONLRTWRAQ-UHFFFAOYSA-N;117.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37617;MM37617;C#CCC(C#N)CO;KYRSMSQGAKNXMQ-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37618;MM37618;C#CC(=C)C(OC)ON=C;IXJZFJSKXSSKNZ-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37619;MM37619;C#CCC(C=O)OC;YIDQIDDFFJBQRI-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37620;MM37620;CN(C)C(=O)N(C)N;NKEJYEDPAIXMMP-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37621;MM37621;C#CCNCC(F)(F)C#N;TZHUPFJROHHABI-UHFFFAOYSA-N;144.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37622;MM37622;C=NOC(C)ON=COC;WLYYJXRMCRKKMN-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37623;MM37623;C=CCON(C)C=NOC;TUJOFDVZCGPJCK-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37624;MM37624;C#CCN(C=O)OC;UQPNEGBFIRDSAD-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37625;MM37625;C#CC(CC)CCF;NAORBVVOYQAWCB-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37626;MM37626;C=CCON=CN(C)OC;CYXDXDHTUBOEOP-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37627;MM37627;C#CC(C=NN)OCC=C;NCQIMYOWZHXJBK-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37628;MM37628;C#CC(CO)CCO;VCUJHJVLAZPPEY-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37629;MM37629;C#CC(CO)CCF;DNQHAUUKHPBEAQ-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37630;MM37630;C=NN=CN(NC)C(C)=O;YOLUZSQFELVDCP-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37631;MM37631;C#CC(CF)CCO;DETGKPFPRLYKJC-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37632;MM37632;C#CC(CF)CCF;XCEODLDXCGAMOW-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37633;MM37633;C=CN(N=C)C(=NC)OC;XFZGWMHPVBRYAM-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37634;MM37634;C#CC(OC)OCC=NN;VDGSBUDMBFDIHQ-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37635;MM37635;C=CCCNCC=O;LLWNIRFHZINRMJ-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37636;MM37636;CON(C)C=NC(C)C=O;DKSRGRIBQPFQOY-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37637;MM37637;C#CC(CO)COC;DIUUPIAICXZUIP-UHFFFAOYSA-N;114.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37638;MM37638;CCOCC#CC=NNC;OFOMNHYPUVOBOH-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37639;MM37639;C#CC(CCO)OC;XWVFCKBQUNEENO-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37640;MM37640;CC(C=CF)=NN;QUBBMTHNDQWNPT-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37641;MM37641;C#CC(COC)OC;AAYZZMZTULZIKC-UHFFFAOYSA-N;114.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37642;MM37642;C#CC(C)=NNC;CGZMMZUKMWUGTR-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37643;MM37643;CNN(C=O)C=NOC;CNUCICJVPZBPBK-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37644;MM37644;CC=NN(C)C(C)=NOC;PUUCTEZBZXFZSY-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37645;MM37645;C#CC(C=O)=CN(C)N=C;IYINXPZKFLDCOD-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37646;MM37646;C#CC(CC)CC=O;HSTHMAYBTYOXMQ-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37647;MM37647;CC(C#N)N(C)C(=N)C=O;RQCAXWDZUDBXEA-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37648;MM37648;C#CC(CO)CC#N;CTKZOSNRKWSBHF-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37649;MM37649;C#CC(CF)CC=O;UIAWHNBIYKISPI-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37650;MM37650;C#CC#CC(=O)N(C)C=N;HKWGIJMKPITDON-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37651;MM37651;C#CC(=NC=O)N(C)CC;ATCJFNQNDSRBFX-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37652;MM37652;C#CC(CC=C)OC;CAPDPUNQCAQZAA-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37653;MM37653;C#CC(CC=O)OC;AGSCELPWDUBXBF-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37654;MM37654;C#CC(CC#N)OC;CGUAHJKHUUFUFA-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37655;MM37655;C#CC=CNC(C#N)=NC;XLGNGQSOPYYQAD-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37656;MM37656;C#CC(CC)NC=O;AZPQFVJSFYOHCO-UHFFFAOYSA-N;111.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37657;MM37657;CCON=CN(C=O)NC;ZTDBDKVYASGUAP-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37658;MM37658;C#CC(=C)N(N)C=NNC;KVMWCXZBNWBJPT-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37659;MM37659;C=C(C)CCNCC=O;ZXTJQKJGIFFJKA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37660;MM37660;CC=NN(C)C(=NC)OC;GBZGFEPLYHPEPG-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37661;MM37661;C#CC(CO)OC=C;ZNDZBKCXOUOQIS-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37662;MM37662;C#CC(CO)OC=O;WGDBAGCLUVNXBP-UHFFFAOYSA-N;114.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37663;MM37663;C#CC(CF)OC=O;WMMWAWVAECJHTA-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37664;MM37664;CNC(C)C#CC(C)=O;CDSNWSHXQCGZHZ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37665;MM37665;C#CC(OC)OC=C;CVZRGWVVFKBZGE-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37666;MM37666;C#CC(OC)OC=O;ACIYMIDLXWAZRD-UHFFFAOYSA-N;114.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37667;MM37667;CC#CC(=NN)N(C)N;VXVWCWSNDCNEFX-UHFFFAOYSA-N;126.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37668;MM37668;C#CCOCON=C;WCXUBDSZOPVYPK-UHFFFAOYSA-N;113.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37669;MM37669;CC(C)NN(C=O)C=O;PGLIGRPUMXBINC-UHFFFAOYSA-N;130.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37670;MM37670;C=CC(C=C)CCF;QYWKRASQSCABHG-UHFFFAOYSA-N;114.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-propylpropanedial;MM01921;CCCC(C=O)C=O;NNPVPFUZVSWMHT-UHFFFAOYSA-N;114.14;0.8;18381089;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formylpentanenitrile;MM01639;CCCC(C#N)C=O;VUXYPZAXIFRMQU-UHFFFAOYSA-N;111.14;1.13;22281424;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-propylpropanedinitrile;MM01999;CCCC(C#N)C#N;GFBXDEILUKZCOZ-UHFFFAOYSA-N;108.14;1.45;12751986;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15995;MM15995;O=CC(C=O)CCF;ITPGDNAKQQKPMI-UHFFFAOYSA-N;118.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37671;MM37671;CCN(N)C(=O)N(C)N;MSZBIJDBFUYMFY-UHFFFAOYSA-N;132.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37672;MM37672;COCC(N=CNN)=NN;HAPZGHMFMVYAFT-UHFFFAOYSA-N;145.17;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37673;MM37673;COCC=NNCCF;AAWHJITUHGAHCN-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37674;MM37674;C=CC(CF)ONC=NN;SENQBDRMHGCIGI-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37675;MM37675;C=CC(C=O)COC;WXYXVQOMZFFHLE-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37676;MM37676;C=CC(C#N)COC;ARSBSZNECHYMBY-UHFFFAOYSA-N;111.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37677;MM37677;COCC(C=O)C=O;HGFBWRYYYPSJIO-UHFFFAOYSA-N;116.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37678;MM37678;COCC(C#N)C=O;VJMUFRMWOYUDNL-UHFFFAOYSA-N;113.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37679;MM37679;COCC(C#N)C#N;YZGBNEWGBAWRMC-UHFFFAOYSA-N;110.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37680;MM37680;CN(N)C(=O)N(C=N)C=N;NQXQXIZBMWRRHJ-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37681;MM37681;C=NN=CCN(N)C(C)=O;XKQWCSKBJNSOIB-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37682;MM37682;CCOC(C#N)C=O;LIMXIGMDTQXZQG-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethoxypropanedinitrile;MM02595;CCOC(C#N)C#N;KGXYIDGMDVUFII-UHFFFAOYSA-N;110.12;0.44;13838546;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37683;MM37683;C=NOCC(C)(C#N)OC;NWRBWGZQQQQZFW-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37684;MM37684;NN(C=O)CC#CC=CF;GFVXLBAIGOMXIP-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37685;MM37685;C#CCN(CC)C(=N)C#N;UJHSBHYLMCWRAG-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37686;MM37686;CNC(C)C(C)=NO;SDVCOLXICIATPN-UHFFFAOYSA-N;116.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37687;MM37687;CCCN(C=O)C=O;RFFONSFNWMFKOY-UHFFFAOYSA-N;115.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37688;MM37688;C#CCNN(C=O)CCC;HQQBYZBHYVYPPO-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37689;MM37689;COC=NN(C=N)CC#N;LBXMYVRWPXVHJF-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37690;MM37690;CCN(C(=N)C#N)N(C)C;JLZOIJSWRGCIRP-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37691;MM37691;CC=NOCOCCOC;IDIJKKDGLDPYIW-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37692;MM37692;CC=NOCOCOCC;KYOPJWNARRXKQY-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37693;MM37693;C=NN(C)CC#N;HZIKKPJJIQAFAH-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37694;MM37694;C#CC(CC=C)=NN;ITAHWYMOZSPSDI-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37695;MM37695;CCON(C=O)C=O;VRFUKZWVGQKQLF-UHFFFAOYSA-N;117.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37696;MM37696;C=CC(C=C)CC=O;XTHVQUMGHHNKMX-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37697;MM37697;C=CC(C=O)CC=O;OSBILYGMOPBWPD-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37698;MM37698;C=CC(C=O)CC#N;PANGXZXURKRHQY-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37699;MM37699;C=CC(C#N)CC=O;YVGPFYSEEBQBQJ-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-prop-2-enylpropanedial;MM02427;C=CCC(C=O)C=O;YJZPTAFIANTXNU-UHFFFAOYSA-N;112.13;0.58;88465184;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formylpent-4-enenitrile;MM02332;C=CCC(C#N)C=O;COEDZXVHZKEGQJ-UHFFFAOYSA-N;109.13;0.9;87981524;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-prop-2-enylpropanedinitrile;MM01997;C=CCC(C#N)C#N;YKLCNJXWEFTBLY-UHFFFAOYSA-N;106.13;1.23;10931386;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Ethane-1,1,2-tricarbaldehyde;MM02856;O=CCC(C=O)C=O;QGPGKCTWMYIIPB-UHFFFAOYSA-N;114.1;-0.41;22352755;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16034;MM16034;N#CCC(C=O)C=O;JCQKURKKLCJVHS-UHFFFAOYSA-N;111.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formyl-4-oxobutanenitrile;MM02439;N#CC(C=O)CC=O;HJVNYTFNGSGZIC-UHFFFAOYSA-N;111.1;-0.09;53881088;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37700;MM37700;N#CCC(C#N)C=O;MPBITFKSUGIJHH-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(2-oxoethyl)propanedinitrile;MM02897;N#CC(C#N)CC=O;SWFIFQCQDNDYIU-UHFFFAOYSA-N;108.1;0.24;19897902;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37701;MM37701;N#CCC(C#N)C#N;DXBLIMATEQZDKB-UHFFFAOYSA-N;105.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37702;MM37702;C=CC#CCN(N)C=O;ANGWQMQEFLUWBU-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37703;MM37703;C=NOC=NN(C)CC;PNWUDJONKYSYKS-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37704;MM37704;C=CC(C#N)NC=O;RSCJPZUIZRMJIC-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37705;MM37705;CC(F)C(N)CC=NO;JTFFVAAQWGMTKA-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37706;MM37706;C=NNC(C=O)C=O;ZMPKOVHGOMLONY-UHFFFAOYSA-N;114.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37707;MM37707;C=C(C)C(C=O)NCC=O;ZFQACRHQAMXOIP-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15745;MM15745;C=CC(C=O)OC=O;DRBGRYBGFVTVDE-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02543;MM02543;C=COC(C=O)C=O;KLDKUGXHRSTWCP-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15802;MM15802;C=COC(C#N)C=O;ATNRRBPEHWFWEL-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02529;MM02529;C=COC(C#N)C#N;RIAQJMJDKVUQOG-UHFFFAOYSA-N;108.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02030;MM02030;O=COC(C=O)C=O;JYCBGJRWYSFLNC-UHFFFAOYSA-N;116.07;-1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37708;MM37708;N#CC(C=O)OC=O;BBNUXLMYGSROBT-UHFFFAOYSA-N;113.07;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37709;MM37709;N#CC(C#N)OC=O;KPDGMUYVUYGIFD-UHFFFAOYSA-N;110.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37710;MM37710;C=NOC(C=O)C=O;FWZFGEQIAZMLBX-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37711;MM37711;N=C(CF)NN=CC=CN;HUKBBILPERBCQL-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37712;MM37712;C=CN(C=NOC)OC;GEXAAWQIEJYOAQ-UHFFFAOYSA-N;130.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37713;MM37713;C=CN(C=O)CC#N;MYYOEVWOQFZWBB-UHFFFAOYSA-N;110.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37714;MM37714;C=C(C=NN)OC(C)OC;KGJAUWFNOBPXGX-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37715;MM37715;C#CC(C)C(=O)N(C)C=N;ORQSNUMRFOUKKP-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37716;MM37716;C#CC=NN(C)CCOC;ZMPFKOJBPXZZCH-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37717;MM37717;O=CCN(C=O)C=O;FMTSRVSULOVLJW-UHFFFAOYSA-N;115.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37718;MM37718;N#CCN(C=O)C=O;GBBPKEHEHAFOLV-UHFFFAOYSA-N;112.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37719;MM37719;C=NOCC(C#N)OCC;WZMWBKJGSSUROA-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37720;MM37720;CCCCN(C=N)C(C)=O;ACOMPLHHFHZXRH-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37721;MM37721;CCN(C=O)NCC=CF;MKSHIEFWNSUDKL-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37722;MM37722;C=NN(C)C=NC=O;SBLWDHWCJWEGJO-UHFFFAOYSA-N;113.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37723;MM37723;O=CNN(C=O)C=O;TXFRWSZXERAIHJ-UHFFFAOYSA-N;116.08;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37724;MM37724;C#CC(=CC#N)NC;XNJXMXUOODKKJJ-UHFFFAOYSA-N;106.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37725;MM37725;C=CN(C=O)OC=O;ZETHZGGODPMIKC-UHFFFAOYSA-N;115.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37726;MM37726;C#CCC=NOCC;XXZMVDCUNVJJBS-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37727;MM37727;CCON(C)C=NOC;KREMBXIWSWGVSM-UHFFFAOYSA-N;132.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37728;MM37728;O=CON(C=O)C=O;RYUQCTTXPQXSTO-UHFFFAOYSA-N;117.06;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37729;MM37729;C#CCC(C=C)C=C;KZDHZNHNEFEYKS-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15974;MM15974;C#CCC(C=O)C=O;LWWFSPTVCBCQSO-UHFFFAOYSA-N;110.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15677;MM15677;C#CCC(C#N)C=O;LJGSBRKCXUPGBY-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-prop-2-ynylpropanedinitrile;MM02002;C#CCC(C#N)C#N;AEQGMXFFZBEVAD-UHFFFAOYSA-N;104.11;0.67;23080912;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37730;MM37730;C=CC=NOC(C)C#N;SMWQTSTVECGDRI-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37731;MM37731;C#CCN(C=C)C=O;RSDIIVFJUUYQTP-UHFFFAOYSA-N;109.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37732;MM37732;CON=C(C#N)C=CN;BRZMOSXCIVNOLX-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37733;MM37733;CCCN(C=N)C(C)=O;POASKAOSVBRVPE-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37734;MM37734;C#CC(C=O)CCC;CXDWKZMOBLCBOK-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15283;MM15283;C#CC(C#N)CCC;MMNZREWAPGJVKA-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37735;MM37735;C#CC(C#N)CCO;VJECMAVPMXMWNL-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37736;MM37736;C#CC(C=O)CCF;PZILFJIXVSADHO-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37737;MM37737;C#CC(C)(C)NN(C)C=O;APCDUHVLKZRYMN-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37738;MM37738;CC(=O)C(=N)N;IMBRVGJJYYTNSJ-UHFFFAOYSA-N;86.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37739;MM37739;CCN=C(C=NOC)NN;YTILUVAFWVPCCI-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37740;MM37740;C#CC(C=O)COC;YIPDVGURSGHNQC-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15889;MM15889;C#CC(C#N)COC;QMBDJVVMHFKFNW-UHFFFAOYSA-N;109.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37741;MM37741;C=NOCOC(N)=CC=O;MBTUQBKBHAVBSE-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37742;MM37742;CNNC(=NO)ONC=O;QKBPXHQGTWSHDM-UHFFFAOYSA-N;148.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37743;MM37743;C#CC(C=O)OCC;MAPMUUHGNSLEHT-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37744;MM37744;C#CC(C=O)CC=C;GIERBZGFPADKQW-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15422;MM15422;C#CC(C#N)CC=C;ZSLBYOIESWGWKJ-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37745;MM37745;C#CC(C=O)CC=O;IJVPTNPUDRBSCN-UHFFFAOYSA-N;110.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37746;MM37746;C#CC(C=O)CC#N;MBVXVTJMBZOFEV-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15719;MM15719;C#CC(C#N)CC=O;XJDUGJRRNCSKEB-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37747;MM37747;C=NOC(CC#N)COC;SAUVXDBOIDLGBF-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37748;MM37748;CON=CC(C=NO)=CN;AHEPHJAPPTWAIX-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37749;MM37749;C#CC(C=O)OC=C;PAICYEBECBFKML-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37750;MM37750;C#CC(C#N)OC=C;XQTCCOLFKMWEIM-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15732;MM15732;C#CC(C#N)OC=O;KTVAFUMPZFZALH-UHFFFAOYSA-N;109.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37751;MM37751;C#CC(O)C#CC#CCN;PWPLAUKFNACUFP-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01983;MM01983;C#CCC(C#C)C#N;MMRBLFYXGDRFHP-UHFFFAOYSA-N;103.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37752;MM37752;C#CC(CC)NN(C)C=O;OLXVCOGVSPGAHO-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37753;MM37753;C#CC(C#C)COC;LJERQZGJENUKEF-UHFFFAOYSA-N;108.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37754;MM37754;C#CC(C#C)OCC;LOVSHVADZRWNGV-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37755;MM37755;C#CC(C#C)CC=O;LVIBEDIBODNTLA-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37756;MM37756;C#CC(C#C)CC#N;AAOQKGQFZMDQET-UHFFFAOYSA-N;103.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37757;MM37757;C#CC(C#C)NC=O;ZBBDZBAXODAFCH-UHFFFAOYSA-N;107.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37758;MM37758;C#CC(C#C)OC=C;JGRGXIZDGHRTSS-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37759;MM37759;C#CC(C#C)OC=O;VSBXKSZUBFQCJT-UHFFFAOYSA-N;108.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37760;MM37760;C=NOC(C=CC=O)OC;UOGIVLQROMUWMC-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37761;MM37761;C#CCC(C#C)C#C;FIZAZLWVBXTCRI-UHFFFAOYSA-N;102.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37762;MM37762;CC=CC(CC)CC;STHONQMAWQLWLX-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37763;MM37763;CNN=CCC(C#N)OC;XIRUHMGEHSFWMB-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37764;MM37764;CNN=CCOC=O;LVJZXNIFOMQWIL-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37765;MM37765;CCC(C=NO)CO;ZPEOHXVFTVALJH-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37766;MM37766;CCCNN(C=O)C=O;ZQFRGUOBNNHYKR-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37767;MM37767;ON=CC(CF)CF;QHMBXZANNWMETL-UHFFFAOYSA-N;123.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37768;MM37768;CNN=CCOCCF;UACPUHVTYQSQSF-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37769;MM37769;C#CC=NNCCOC;SFZQPEUBTPDOPG-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37770;MM37770;C#CC=NNC(=O)C(=N)N;WAGRGUPSHOHRHW-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37771;MM37771;CC=NN(C)C=NOCC;RXJUTXAXWUGKGU-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37772;MM37772;CC=CC(CO)OC;KAYDHKWBDABTOI-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37773;MM37773;COC(C=CF)CO;XHXKFRGKOPSYTH-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37774;MM37774;COC(C=CF)OC;ASHDAEDZYVHTQN-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37775;MM37775;C#CC(C)(C#C)NCC#N;NRHFQXJDANKJMY-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37776;MM37776;COC(C=NO)OC;LTIICONIFHUKCR-UHFFFAOYSA-N;119.12;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37777;MM37777;C=CN(C=N)N=CC#N;BAUFDWYQKYMYRY-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37778;MM37778;C=NOCC(C)OCC#N;SSADYKAAFXSNNA-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37779;MM37779;C=NOCCOC(C)C#N;KAEHGLNBABPYSS-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37780;MM37780;CC#CCNC(=N)NC=O;ZJTCCOPTSRTEIB-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37781;MM37781;CCN(C=NO)OC;UEHWIMPGMGUFNL-UHFFFAOYSA-N;118.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37782;MM37782;C#CCC#CCN(N)C=O;UCUKEFWCBWVVQN-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37783;MM37783;CC=CC(C#N)CO;JAXMQKCIQAOHCC-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37784;MM37784;O=CC(C=CF)CO;JYJRCCSZALESDG-UHFFFAOYSA-N;118.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37785;MM37785;N#CC(C=CF)CO;WBUKZSDKQBOUHP-UHFFFAOYSA-N;115.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37786;MM37786;CCC(C=O)C=NO;CZOWMJPMLRIAJZ-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37787;MM37787;CC(C)C(C#N)N(O)C=N;GCZRYBAFZDLMKU-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37788;MM37788;C=CC(C=NO)CO;YXAJRYVENXWULQ-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37789;MM37789;O=CC(C=NO)CF;AGIUNGCELKIYIT-UHFFFAOYSA-N;119.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37790;MM37790;COC(C)C=NNCCF;NVWFNSZAKZJSON-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37791;MM37791;C=CC(C#N)C(C#N)NC;WASPYPOQQCHNMP-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37792;MM37792;CC#CC(C)=NN;YKHMWTHXRXJZGN-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37793;MM37793;C=CC(F)(F)C(=N)N;QOBCNZYZQPKJNW-UHFFFAOYSA-N;120.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37794;MM37794;CON=CN(C)OC;YXKVQXRAVJEREE-UHFFFAOYSA-N;118.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37795;MM37795;CNN=CN=CN(O)C=N;GSKKSUAVJMWPLA-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37796;MM37796;COC(C#N)C=CF;CSLBYYGTIMCZNJ-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37797;MM37797;CCNC=C(C)C#N;OOWOQCRUWGXVPV-UHFFFAOYSA-N;110.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37798;MM37798;C=CC(C=NO)OC;BLWGNJYWTYUXLY-UHFFFAOYSA-N;115.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37799;MM37799;COC(C=O)C=NO;ZAROYICVHNKJFJ-UHFFFAOYSA-N;117.1;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37800;MM37800;COC(C#N)C=NO;PGXNBRZXGRYDMB-UHFFFAOYSA-N;114.1;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37801;MM37801;CCN(C=O)C=CF;XKCHQRWFWHVFCW-UHFFFAOYSA-N;117.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37802;MM37802;CC(N)C(=O)NN=CCN;XZLLPLMIGQCOSH-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37803;MM37803;CC(C#CCN)=NNC=O;HCWZECFLWVBEBL-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37804;MM37804;CNC(C)C=NNC(C)=O;CMSGFGVSVKDPLR-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37805;MM37805;CC#CC(CF)N(O)C=N;SYFLLYBRHMOCFM-UHFFFAOYSA-N;144.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37806;MM37806;C=NN(C)C=C(C)C#N;RWPFUQJRHHZBGC-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37807;MM37807;CON(C=O)C=CF;AJDSZLBNGJMNTF-UHFFFAOYSA-N;119.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37808;MM37808;C=NOCC(N)=CC#N;BVPRKSWPSXQSTC-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37809;MM37809;NCC#CC#CC(O)CF;IFVXTTSSFGELDK-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37810;MM37810;NCC#CC#CCO;KFTBLRQXKSJWRQ-UHFFFAOYSA-N;109.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37811;MM37811;NN=CCC(CF)CF;XQVXTGMNGVTHHY-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37812;MM37812;C=NN(C=CC#N)CC;CSUYLSGDHWAPSJ-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37813;MM37813;C=CC(=N)N(N)C(=O)CC;NAQYVGKNVPSJKD-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37814;MM37814;C=NNCCOC(=O)CF;SQJKWGZWTXWSDV-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37815;MM37815;C#CC(C=CF)CO;QGSUMPYMZHABQV-UHFFFAOYSA-N;114.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37816;MM37816;C#CC(CC#N)N(C)N=C;NCOUOJRJLMFEJB-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15456;MM15456;C#CC(C=NO)CC;MEWILJRBULYFAM-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37817;MM37817;CN(O)C(C=CN)=NN;BCSNJUNXHUQVKS-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37818;MM37818;C=C(CN)NC(=O)C#CC;ZQEJMSLJAIJIAC-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37819;MM37819;C#CC(C=NO)CO;XWYWTRFFOYTGJP-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37820;MM37820;C#CC=CN(C=O)C(C)=N;NVEXVRCWEDHQMU-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37821;MM37821;CCCCNN(C=O)C=O;IAJOFQOMDVRJAS-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37822;MM37822;C#CC(C=CF)OC;PSISTCPJAQMHPX-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37823;MM37823;CNN=CCCOCC#N;IFSKPYWQMNTLIY-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37824;MM37824;C#CC(C=NO)OC;JODBFTCIBDLVSV-UHFFFAOYSA-N;113.12;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37825;MM37825;C=CC(C#N)C=CC;JZYYXQCNDJUGRT-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16010;MM16010;O=CC(C=O)C=CF;MHHRXSHOGQBHIB-UHFFFAOYSA-N;116.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15670;MM15670;N#CC(C=O)C=CF;JBOVNTHBIVJMRD-UHFFFAOYSA-N;113.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37826;MM37826;C=CC(C=O)C=NO;MOOLUTULGTVJSQ-UHFFFAOYSA-N;113.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37827;MM37827;N#CC(C=O)C=NO;ZOAOLXNFVVGDMF-UHFFFAOYSA-N;112.09;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37828;MM37828;N#CC(C#N)C=NO;CYICBMGOZNXXCW-UHFFFAOYSA-N;109.09;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37829;MM37829;CC#CC=NN;ORGBNQXGZQPFOI-UHFFFAOYSA-N;82.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37830;MM37830;C=CN(C=O)C=CF;RQGHFAXVNQGFPS-UHFFFAOYSA-N;115.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37831;MM37831;CNC(N)=CC#N;WRRSKYRIGZFWSS-UHFFFAOYSA-N;97.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37832;MM37832;CC#CCN(N)C=O;OTLIOWGBOWPVRC-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37833;MM37833;CC=CN(C=O)C=O;NDYGPJRHUDYCOD-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37834;MM37834;C=CC(C#N)C(=NC)NO;IOYHLBLAAJPVKM-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37835;MM37835;C#CC(CC)=NNC;IYJGIUHSBBIDHS-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37836;MM37836;CC(C(=NN)NO)=C(N)N;VPQTYTJHGCEACZ-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37837;MM37837;C=CC(=NN=C)C(=N)NO;MTQJEOMFMMADDV-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37838;MM37838;C=NN(CCF)CCF;GRTULGOBNMUGMA-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37839;MM37839;CNN(C=O)CCC#N;AWSWCIPUIFWGOA-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37840;MM37840;C=CC(=O)C(N)=NN(C)C;VKGFXDDDLYRBNT-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37841;MM37841;C=NN=C(C)OCON=C;YWAFNZPSCFPDHZ-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37842;MM37842;CNN(C=O)C(=O)C(C)C;MOILDXAMAMACDX-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37843;MM37843;CCN(C)C(=N)C(=O)C#N;NCPTWSKCLNFPMY-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37844;MM37844;C#CCC(C#N)N(C)N=C;XGUQWWADEZZEFS-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37845;MM37845;C#CCN(CCC#N)N=C;SFNWYMWFYIVECD-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37846;MM37846;C=NN=CCOCON=C;JTEIKCMBESWNNL-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37847;MM37847;C#CC(C=O)C=CC;GAAXYBGIECZJIF-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15277;MM15277;C#CC(C#N)C=CC;IVQCQVZQXWWWAW-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37848;MM37848;C#CC(C=O)C=CF;KJDMZQYRGNYNLN-UHFFFAOYSA-N;112.1;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37849;MM37849;C#CC(C=C)C=NO;RFDGZLTUDRHGRW-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37850;MM37850;C#CC(C#N)C=NO;YXMDUVIFNWOCHO-UHFFFAOYSA-N;108.1;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37851;MM37851;C#CCN(N)C=O;RSPWRDOZDSJKNE-UHFFFAOYSA-N;98.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37852;MM37852;COC(C=NN)CCF;QMQUKAJUXVWOJI-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37853;MM37853;CC#CC(CO)CO;DRPDUGFQRVQQPZ-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37854;MM37854;C=NOCC(C#N)=CN;LXFBFJYOJBDCQS-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37855;MM37855;C=NNCCOCC#N;JUUUXAJCSJTFIU-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37856;MM37856;CC#CC(CO)OC;VLEYOBKHHXXFAX-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37857;MM37857;CC#CC(OC)OC;XBDPCZJXHXMVDX-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37858;MM37858;C=CC(C#CC)CC;MADKKVHGTKEXSJ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15282;MM15282;CC#CC(C#N)CC;RVISQNSDUCZLKR-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37859;MM37859;CC#CC(C=O)CO;AARKWQUTUWNOMI-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37860;MM37860;CC#CC(C#N)CO;ZPCJFCKNMJSYCL-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37861;MM37861;CC#CC(C=O)CF;APYXYTDGGNJERE-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37862;MM37862;C=NN=COCC=NN;LDMSDXAGQGLHCZ-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37863;MM37863;CCON=C(NC)NOC;KRIBXKXMVLXHCB-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37864;MM37864;CCONC(=NOC)NC;KRIBXKXMVLXHCB-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37865;MM37865;CC#CC(C#N)OC;PHHDIBBCYIHJNL-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37866;MM37866;C#CC(C#CC)CC;HJCCBDDGTDWQSM-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37867;MM37867;C=NOCC#CC=NN;IFJFJOXIADWPFC-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37868;MM37868;CC#CC(=NC=O)N(C)C;LUENKBFHOOBVMV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37869;MM37869;C=CC(C#CC)C=C;RDRSQGWOQQFSQP-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37870;MM37870;C=CC(C#CC)C=O;LBBHJTAJNWVXHA-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15278;MM15278;C=CC(C#N)C#CC;DNNRLHPEMXMPTO-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-prop-1-ynylpropanedinitrile;MM01941;CC#CC(C#N)C#N;NIDWALYQINGPNX-UHFFFAOYSA-N;104.11;0.67;57452848;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37871;MM37871;C#CC(C#CC)C=C;OFVVXPQXHWUKII-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37872;MM37872;C#CC(C#CC)C=O;QORYAHGYCGOZNO-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15475;MM15475;C#CC(C#N)C#CC;ZGLRTGOVIMJLJA-UHFFFAOYSA-N;103.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37873;MM37873;C#CC(C#C)C#CC;DRKZYEZGDWEUIW-UHFFFAOYSA-N;102.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37874;MM37874;C#CCNC(C)(C#C)C#N;WCTKVMXFBRVGTF-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37875;MM37875;COC(=N)N=CN(N)C=O;BBPUFDXYHLYKJM-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37876;MM37876;CON=C(N)CC=O;NEPASRUSCYNGTL-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37877;MM37877;CC=C(CO)CCO;VLKIVTHVIKHPPU-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37878;MM37878;OCC(=CF)CCF;IXQJXAQSBSYFQJ-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37879;MM37879;C=CC=NN(C)C=NC=O;CBGHSTFRYGSMBD-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37880;MM37880;C=NN(C)C(=N)C=NOC;NDYFJHHQGBNOJQ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37881;MM37881;OCCC(=CF)CF;FAWJJLNYRHRKFT-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37882;MM37882;CON=C(C#N)C(C)=CN;KKMMYQYYOSNUPC-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37883;MM37883;C#CCCN(CC#N)N=C;XVPLNVZBUDWMEI-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37884;MM37884;C#CC(=CF)N(C=O)NC;QDCOFBPZYCGLSE-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37885;MM37885;C#CC(=NN)C(=C)COC;RQYHVVOUYWZRFK-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37886;MM37886;C#CCOCOCC=NN;UGEMQXVWLMPSHU-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37887;MM37887;CC=C(CO)COC;VQNVFMHUGKRXEE-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37888;MM37888;COCC(=CF)CO;FLXBVERTFZBILI-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37889;MM37889;CC(C=NN)OC=O;BROPUKIDSCJMTB-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37890;MM37890;CCC(CCO)=NO;IMSKIOAFLOJKGK-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37891;MM37891;CON(C=N)C=NN;IYHMSSJPMSKLRH-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37892;MM37892;CC=NN(C)CC#N;FXEBJCIIFJNIKR-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37893;MM37893;OCCC(CF)=NO;BPRFVOKXYLSFMZ-UHFFFAOYSA-N;121.11;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37894;MM37894;ON=C(CF)CCF;ZSHZZMIJSKGCFQ-UHFFFAOYSA-N;123.1;1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37895;MM37895;CC(C)N(C=N)C=O;XNMPVPXAUMNASB-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37896;MM37896;CNN=CC=CC#N;YTEGJZWVRGVIHR-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37897;MM37897;C=CNC(=O)NC(=C)CN;LLQUCSUIVOZTEB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37898;MM37898;CCCC(O)C(=NN)NC;ZPVFYYGRULWEIA-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37899;MM37899;CCNN=CC(C)(C)F;BKBFBSBDMNRVOK-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37900;MM37900;CC(C)(O)C(C)(F)CN;PEXNXCGORNNCCY-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37901;MM37901;CNC(=N)N(O)C=NOC;VAGZUDWXCDPDFN-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37902;MM37902;CC(=CF)N(C=N)C=NN;IKYNXTGXATYDEH-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37903;MM37903;CCCC(=NO)NO;KTWSOAZJIILICR-UHFFFAOYSA-N;118.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37904;MM37904;C=C(C)C(=N)N(N)C(C)=O;OZHKIIAMRRGXBW-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37905;MM37905;C=C(CN)NC(=O)CCC;VZFMLPNPCPRQLB-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37906;MM37906;CNC(COC)=NO;PRSXOKRRNGVUHW-UHFFFAOYSA-N;118.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37907;MM37907;CCC(O)C#CC#CCN;AIAYNOYLZYUJPS-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37908;MM37908;COCC(=NO)NO;XOESMZJYXRUDHL-UHFFFAOYSA-N;120.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37909;MM37909;CC=NOC(=O)N(C)NC;ARMHXBAOCHNIRO-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37910;MM37910;CC#CCC(=O)N(C)C=N;OIUUXHFUDYULEE-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37911;MM37911;CN=C(N=CN)C(=O)C#N;DYRQAKRSEKOKIK-UHFFFAOYSA-N;138.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37912;MM37912;CCONC(=N)CO;SACHTIUSQPLFEB-UHFFFAOYSA-N;118.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37913;MM37913;CCCC(=NO)OC;DLCHEWYOYXAMIU-UHFFFAOYSA-N;117.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37914;MM37914;COC(CCF)=NO;HELOAIKNBRTMAF-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37915;MM37915;CCCONC(=N)CO;YSXAXTGJWAUKTD-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37916;MM37916;C=COC(=O)C(=N)NC=N;OHXQMNHVDBZKCJ-UHFFFAOYSA-N;141.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37917;MM37917;CC(=NO)ON=CN(C)N;RILQWLBGYIUCJD-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37918;MM37918;CN(N)C=NOC=NO;SRJLKHPEXBXCOL-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37919;MM37919;C=NN(C)C=NN=COC;DXAJCBXSIVRXJJ-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37920;MM37920;N=C(N)C(=O)NN=CNO;YUIPKLMWZXLNFN-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37921;MM37921;CCNN(C=CF)C=NO;OOFWLYYYXGTAFZ-UHFFFAOYSA-N;147.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37922;MM37922;CCCCONC(=N)CO;MASZOAGKYLOYAT-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37923;MM37923;CN(N)C=NN=CNC=O;WTIIUCHYKVVGFM-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37924;MM37924;C=NOCC(CC#N)OC;WDTUISZETMJLEK-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37925;MM37925;CN(N)C=NO;CRGXTNYSYRDOMD-UHFFFAOYSA-N;89.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37926;MM37926;CN(C=N)N=CC#N;HVDZBGNHIMHGIZ-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37927;MM37927;C#CC(C#C)N(C)CC#N;JPMTZPKXLQXHRT-UHFFFAOYSA-N;132.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37928;MM37928;C=CCCONC(=N)CO;MMKREEPKEIFPFB-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37929;MM37929;CN(C)C(=NO)NO;CRFQLFRHUUXKOX-UHFFFAOYSA-N;119.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37930;MM37930;C=C(CCF)N(O)C=N;IRSFZYSVZFNBSH-UHFFFAOYSA-N;132.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37931;MM37931;C=NOCCOCCC#N;KJLANXHVDKHBOC-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37932;MM37932;CNC(=N)N(O)C(=N)C#N;RLWFPLTXQPZQKY-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37933;MM37933;C#CC(=NCC)N(O)C=N;UCDOHDMWYVQMFY-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37934;MM37934;N=C(NO)OC(=N)NO;JELVEEQBITZNMY-UHFFFAOYSA-N;134.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37935;MM37935;CC(C)(O)C#CC#CCN;XGJNCIVSLCETRP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37936;MM37936;NCC#CC(CO)=C(F)F;WAJZQFDVICGKSX-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37937;MM37937;CN=C(NO)OCOC;LODJLOPZDRRIQH-UHFFFAOYSA-N;134.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37938;MM37938;C#CCN(O)C=NCC;YNZWSONZOLVYLL-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37939;MM37939;C=CCC#CC(N)C(C)O;BXHRPDPAPKCFOE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37940;MM37940;C=CCC(=NNC)N(C)O;NKIGKEICRBVZLI-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37941;MM37941;C=CC(=NOC)C(=N)NO;XGHCGCSODHKLDM-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37942;MM37942;CCNC(=NO)OC;NZHCFHMLBIUTQB-UHFFFAOYSA-N;118.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37943;MM37943;CCN(N)C(=NC=N)NO;JUJSTFCLCPVVED-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37944;MM37944;NN=CCON=CCCF;CEFNJQVYISRWFI-UHFFFAOYSA-N;147.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37945;MM37945;CCONC(=NC=N)NN;BDMKXLYKPZDKJV-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37946;MM37946;CONC(=NO)OC;YJVJPQGGZZBCGD-UHFFFAOYSA-N;120.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37947;MM37947;CCOC(CF)=NO;JXBLODKIFDIWFL-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37948;MM37948;CN(N)C=O;RSFOTOSOKJMMCB-UHFFFAOYSA-N;74.08;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37949;MM37949;CCN(C)N=CNO;UOWWQWZJWDQBTL-UHFFFAOYSA-N;117.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37950;MM37950;CC=NN=C(NNC)OC;WCICGMGXNWBZDV-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37951;MM37951;C=NN=C(NNC)OC;QLURHSJPHURJOQ-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37952;MM37952;C=NN=C(CN(C)C)NN;FSCNUMFJCHIXEG-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37953;MM37953;CCOC(=NO)OC;HIWOXYPSTYFOGG-UHFFFAOYSA-N;119.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37954;MM37954;CCC(=CF)CC=O;MAYITOSBPXEASQ-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37955;MM37955;C#CC=NNC;FRTVMAHMFOFYBU-UHFFFAOYSA-N;82.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37956;MM37956;CC=C(CO)CC#N;OAIUUXHVDUFYCD-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37957;MM37957;O=CCC(=CF)CO;LBLFYYRXXAOEFI-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37958;MM37958;N#CCC(=CF)CO;MHCZGDMXHNAZCK-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37959;MM37959;CC=C(CF)CC=O;OPFPBOZUWYXFEV-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37960;MM37960;O=CCC(=CF)CF;LGJCMRXPJJMJRQ-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37961;MM37961;CCC(CC=O)=NO;BABWSJSNDHDGIE-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37962;MM37962;CCC(CC#N)=NO;FTGOTCHFYDTTKN-UHFFFAOYSA-N;112.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37963;MM37963;C=CCC(CO)=NO;MVCLPAOWZPOJKW-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37964;MM37964;C#CC(CC)=NN;WZWOVKKEDLOYLO-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37965;MM37965;C=CCC(CF)=NO;CKKQOAMNMGZTSS-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37966;MM37966;O=CCC(CF)=NO;RKXZHWUAHIJMJM-UHFFFAOYSA-N;119.1;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37967;MM37967;N#CCC(CF)=NO;SDVAUOXTQJRNDO-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37968;MM37968;C=CCC#CC(CO)NC;RWZXJWOLSMZVHW-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37969;MM37969;CCON(C)C(=N)NO;FEVJGWVTBMBZNM-UHFFFAOYSA-N;133.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37970;MM37970;CCN(OC)C(=N)NO;SBJWMKMQMQTAGJ-UHFFFAOYSA-N;133.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37971;MM37971;N#CCC(=NO)NO;VCGDGSSCENQDPE-UHFFFAOYSA-N;115.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37972;MM37972;COC(=CF)CC=O;GTBWAVOPJGEELK-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37973;MM37973;COC(CC=O)=NO;LJHZQOSSLNONDD-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37974;MM37974;CC#CC(=NNC)NN;SWYSHXGDBKQIOR-UHFFFAOYSA-N;126.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37975;MM37975;CC=C(CO)NC=O;DMVRUBBFBHZNIB-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37976;MM37976;O=CNC(=CF)CO;ZHWXPGJECRXGEJ-UHFFFAOYSA-N;119.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37977;MM37977;C=CNC(=N)C(F)F;HYRTVMLONGWNOF-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37978;MM37978;C#CC(C)=NNCC;GRDIKJXETRXUCX-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37979;MM37979;C=CCNC(=NN)OC;UVFLQZQIOWCPSW-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37980;MM37980;CCN(C=N)C(C)=O;WNEFGLJQMCGZJI-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37981;MM37981;CN=C(NO)NC=NNC;KZKYNHFVUZBVTR-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37982;MM37982;C=CNC(CF)=NO;IVNKWOXWZUEPCW-UHFFFAOYSA-N;118.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37983;MM37983;CNN=C(C=NN)COC;PMIYOLZNBUFXIO-UHFFFAOYSA-N;144.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37984;MM37984;COC(C)C(C=NN)=NN;KKIYEBQSLOJOSB-UHFFFAOYSA-N;144.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37985;MM37985;NCC#CC=NN=CCO;ZRVLCAWGIJWUPL-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37986;MM37986;CN=C(CCC#N)N(C)O;XCJSUXCTTSDDKV-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37987;MM37987;CC(C)=NN(C)CC#N;SUPHSDUSEUTKKU-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37988;MM37988;CCCNC(=NC=N)OC;SYPYIRKPPCIBNO-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37989;MM37989;CCOC(C=CNN)=NC;CLVZHVOKVQRNJT-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37990;MM37990;CC=NOC(=N)NNCC;OPCYVZUWSKFHIZ-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37991;MM37991;C=C(C#CC#CCN)CO;UHSJSLAQSYTMEZ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37992;MM37992;CCC(=O)OC(=NC)NN;XLJXJCZIIPWJDT-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37993;MM37993;CON=CC=C(N)OC=O;FJQFYYFIIPHXAS-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37994;MM37994;O=CCCNC(C=O)C=O;YUZWXXCVSIBDGG-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37995;MM37995;N=CN(O)C=NNC=NO;XKTPKYHDADWTEB-UHFFFAOYSA-N;145.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37996;MM37996;CNC(CCCOC)=NO;KZBWHFZAOZVVPG-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37997;MM37997;NCC#CC=NN=CNO;INDPAVCACMUSLZ-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37998;MM37998;CNC(=NC(C)C#N)NO;LIFHELMQYCUVLX-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM37999;MM37999;CC#CC(=NC)N(O)C=N;LJLKCDOHLNTVEE-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38000;MM38000;C=NN=CN=CN(O)C=N;DWBPJSMBARBWEM-UHFFFAOYSA-N;141.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38001;MM38001;C=CN(O)C(C=CN)=NN;LXZXLQLNFLFTHQ-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38002;MM38002;CNN=C(C)N(O)C(C)C;UPYSUMOJEWUGNW-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38003;MM38003;COC(=NNC=N)N(C)O;FBFVADDGJCOLDI-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38004;MM38004;O=CNC(=NO)NO;QGNQLSQCIANPKC-UHFFFAOYSA-N;119.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38005;MM38005;CCN=C(NO)OC;NZHCFHMLBIUTQB-UHFFFAOYSA-N;118.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38006;MM38006;C#CC=CC(=NN)NO;VVYHRGNQEKKEDG-UHFFFAOYSA-N;125.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38007;MM38007;C=CC(C=C)NCCO;CLMKSCPQMMWVMA-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38008;MM38008;CC#CC(C)NN=CNO;QKELXGBTUZKXFN-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38009;MM38009;C#CC(=C)C(N)C=CCO;YTHITPONACXBAU-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38010;MM38010;CN(CCC#N)N=CNO;RWMWVXXEPLSECX-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38011;MM38011;C=NNC(=NO)NO;GCCMVAGKNRYWGO-UHFFFAOYSA-N;118.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38012;MM38012;CC(C#N)C=NN(C)C;IETFUHXDHDHUJX-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38013;MM38013;CC=C(NC=O)OC;STMJUTOWLCFOPZ-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38014;MM38014;C=NOC(=O)N(C)NC;CAJGKZSMLBYRNQ-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38015;MM38015;COC(=CF)NC=O;ZNPNSBROYGCGSU-UHFFFAOYSA-N;119.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38016;MM38016;C=C(C=O)C(C)=NN(C)C;WFCCMDNXXBAXLP-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38017;MM38017;C#CC(CC)NN=CNO;DFEPVOHUCJRGGK-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38018;MM38018;C=CNC(=NO)OC;APPTYHNSTMGBRP-UHFFFAOYSA-N;116.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38019;MM38019;COC(=NO)NC=O;XPDSNHVAJFZJSO-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38020;MM38020;C#CCC(=O)C(=N)N(C)C;OHLLPOVZRWFUML-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38021;MM38021;CN(C=N)C(C#N)C(=N)N;KCBIBOLJDUKKMY-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38022;MM38022;C=NNC(=NO)OC;NRYYNMHEVZVUGL-UHFFFAOYSA-N;117.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38023;MM38023;COC(C)=CNC(=N)C#N;DWVAJKRJZUPXAC-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38024;MM38024;C=NN(C)C(=N)C(=O)CC;LUVXNRAJBHMWBJ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethenoxybut-2-en-1-ol;MM01719;C=COC(=CC)CO;PWFVIHJDAXHYPK-UHFFFAOYSA-N;114.14;1.04;57108699;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38025;MM38025;CC=C(CO)OC=O;PGNOVBCNNLIQDE-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38026;MM38026;C=COC(=CF)CO;WOCYUXNTSYWMOH-UHFFFAOYSA-N;118.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38027;MM38027;O=COC(=CF)CO;RBCHCPXJDPIWMZ-UHFFFAOYSA-N;120.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38028;MM38028;CCC(=NO)OC=O;HZPOOGMPEVMCNB-UHFFFAOYSA-N;117.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38029;MM38029;C#CC(CCO)N(C)CC;URQAQGNXTYIVRD-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38030;MM38030;C#CC(=NNC)NCC=O;NQLDSCVXHJCRSN-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38031;MM38031;C=NOC(CC)=NO;ZYQRNZOVCNKWJD-UHFFFAOYSA-N;116.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38032;MM38032;C=NNC(=NNC=N)OC;FJVMJPKXJHQARQ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38033;MM38033;C=NOC(CF)=NO;PILQEELQPYQLRG-UHFFFAOYSA-N;120.08;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38034;MM38034;C#CC(=NNC=N)ON=C;AGPNZALSDLFFME-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38035;MM38035;CNC(=NO)OC=O;ZNGYIYOIWLXUTP-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38036;MM38036;C=NOC(N)=NNC=N;GJSYICFAPLDQPK-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38037;MM38037;C=C(C=CCO)C(N)CF;KVSUUOWODPZEBZ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38038;MM38038;C#CC(C)N=C(N)CC=O;IQWUIWFCAWYUSJ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38039;MM38039;C=NOC(=NNC=N)NC;NZTGPTZWYOVKOD-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38040;MM38040;O=COC(=NO)NO;UFDMBDDMLMRABG-UHFFFAOYSA-N;120.06;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38041;MM38041;C=NN=CC(=N)N(C)N=C;OCGVKGDREORERG-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38042;MM38042;CCCNN=CNOC;JBECANTVPBGHBJ-UHFFFAOYSA-N;131.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38043;MM38043;C=NOC(=NO)NC;RLHNYFFUDOVJKD-UHFFFAOYSA-N;117.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38044;MM38044;C#CC(=NN)N(N)CCC;WYLYTJDKLJETEI-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38045;MM38045;C#CC#CC(=N)NC=NN;SUUAQCWDDARMAP-UHFFFAOYSA-N;134.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38046;MM38046;C#CC(C#CC)NCC=O;ANONLKFERZFRJC-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38047;MM38047;CNN=CON=CN(C)N;YGNDFMKTDLXIDW-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38048;MM38048;C=NOC(=NO)NO;VQKYNBZQBGCSSV-UHFFFAOYSA-N;119.08;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38049;MM38049;C=CC(C)(C=O)NCC=O;UXNCMQKNVIJBKH-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38050;MM38050;COC(=NO)OC=O;CQWOJTNUSTWFTH-UHFFFAOYSA-N;119.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38051;MM38051;C=NOC(=NO)OC;ZAHKSUKCNGJJMR-UHFFFAOYSA-N;118.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38052;MM38052;C=CC(N)C#CCCCO;AZQFTVCNFFBFOZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38053;MM38053;C#CCC(CO)=NO;FZSGHDVLWMMULF-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38054;MM38054;C=NN(C)C(C=O)=NCC;YTPXHBLDOCLISP-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38055;MM38055;C=NOCON(C=O)CC;LJJPUCSZOFWOEB-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38056;MM38056;C=NNC(C=O)CNCC;OZXIDQFPYSDASF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38057;MM38057;C=NNC(=NNC)NCC;UWQUGKWJZWFROM-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38058;MM38058;C=C(F)C(C=O)NC;NNXJTZQHDQFVRI-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38059;MM38059;C#CCC(=NO)NO;HFWBZTDTBBKHQZ-UHFFFAOYSA-N;114.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38060;MM38060;C#CCC(=NO)OC;JVHGKTHBALZBNR-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38061;MM38061;CC=NNCCOCC#N;XYYAOZGFPVEYFK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38062;MM38062;C=CC(=CF)CCF;XAHKNTTYZGJSBN-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38063;MM38063;CC=C(C=O)CCO;UZUZVSZRNRECSI-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38064;MM38064;CC=C(C#N)CCO;AQRHDRFCNZJSBF-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38065;MM38065;CCCC(C=O)=CN;JOLUWPGYJGRGLQ-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38066;MM38066;NC=C(C=O)CCF;ZVBQNUPOGSXPRO-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38067;MM38067;O=CC(=CF)CCO;WEAQNAOLLCEDGA-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38068;MM38068;N#CC(=CF)CCO;SZOMISRFYPEHIV-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38069;MM38069;O=CC(=CF)CCF;MWLSTMZAQNACAL-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38070;MM38070;CNN=CCON=COC;PADLGYHYGPVNET-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38071;MM38071;C=COC=NOCC=NN;ULBFOYNHAIAEGW-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38072;MM38072;C=NOCC(C)C#N;WQHTUZWPFXESNB-UHFFFAOYSA-N;112.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38073;MM38073;CON=CCCCF;WAFQWAMPAGQJIZ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38074;MM38074;COCC(C=O)=CN;VLZPGJIGIPVDKM-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38075;MM38075;CN(N)C(=O)C(C)(C)F;OPDGSUGPGFSAAY-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38076;MM38076;COCC(C#N)=CF;VHPQPYHOALHLID-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38077;MM38077;CN=CNC=C(C#N)C#N;BJDHHYCNJKQQHD-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38078;MM38078;CC(CF)OCC=NN;OHFZBWQBYMEOBV-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38079;MM38079;C=CC(CCO)=NO;PYNPEVCKKBKHIF-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38080;MM38080;CCCC(C=O)=NO;SEVVMDRGUCXRLA-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38081;MM38081;CCCC(C#N)=NO;ZNZXVXJXZODUTA-UHFFFAOYSA-N;112.13;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38082;MM38082;N#CC(CCF)=NO;KSIRDIHOKQWJRH-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38083;MM38083;C#CC(CON=C)=NN;HVNLUMYPMOMBKD-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38084;MM38084;CC(=CC#N)N=C(N)C=O;INWNQXSHPUPBGF-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38085;MM38085;C=CC(COC)=NO;MMYICXLMMQUYOW-UHFFFAOYSA-N;115.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38086;MM38086;COCC(C#N)=NO;CFPKDRNYPPUUBE-UHFFFAOYSA-N;114.1;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38087;MM38087;CN(C)C(N)=C(C#N)CF;JUHYDRLEGXPDJM-UHFFFAOYSA-N;143.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38088;MM38088;C=NOCC(=O)ON=CC;KWLCSEPVSHYUKU-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38089;MM38089;CN(N)C=NOC=NN;IWMDCVOPHQQPOT-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38090;MM38090;CC(=NN)ON=CN(C)N;QLLIQXLSWIPSDB-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38091;MM38091;CNNC(=NCC#N)NO;BVCISOBONGPWSU-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38092;MM38092;COC(=O)OC=CC=NN;SMEUDJNBRIYVLB-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38093;MM38093;CC=NNC(=NNC)NC;FVCUPENLMTWQAM-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38094;MM38094;CNN=C(CC=O)N(C)C;VCWJKFPGFCHJQL-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38095;MM38095;CON=C(C=O)NO;SLHCPQFHUOFQID-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38096;MM38096;CON=C(C#N)NO;WPFWKLXCFNAZGY-UHFFFAOYSA-N;115.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38097;MM38097;CCOC(C=O)=CN;MEJWPXNAIACKKF-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38098;MM38098;C=CC(=NC=O)N(C)N=C;VWSOEABCNBGHLG-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38099;MM38099;CCOC(C#N)=NO;GPNUGMYAOPKFMA-UHFFFAOYSA-N;114.1;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38100;MM38100;C=CC(=CC)CC=O;DHLVEAYSPKOIRI-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38101;MM38101;CC=C(C=O)CC#N;YYKMXESGCVATGZ-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38102;MM38102;CC=C(C#N)CC#N;JSZALUCZBQTYFD-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38103;MM38103;C=CCC(C=O)=CN;ODDOVNONDSSXHR-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38104;MM38104;C=NOCCF;QDADDHOWECZFBF-UHFFFAOYSA-N;91.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38105;MM38105;N#CCC(C=O)=CN;IFYPFCBFEWCJRY-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38106;MM38106;C#CC(F)(CO)C(=N)N;GSZSIIFXDAWFIG-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38107;MM38107;CNC(C)=CC#N;BTOSOLFIJWFHEM-UHFFFAOYSA-N;96.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38108;MM38108;C=CCC(C=O)=CF;ZNJXTZGHDNXBJJ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15765;MM15765;O=CCC(C=O)=CF;ZTXDMNYKWVCWEX-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38109;MM38109;N#CCC(C=O)=CF;JWXYKYPGZUXDGQ-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15706;MM15706;N#CC(=CF)CC=O;BAEWLBNLQNTVGT-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38110;MM38110;N#CCC(C#N)=CF;QBZSJFNYTOXNKM-UHFFFAOYSA-N;110.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38111;MM38111;C=CC(CC=O)=NO;PJXXURYDPTVUGK-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38112;MM38112;C=CC(CC#N)=NO;VPAJFQLUJQRWLD-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38113;MM38113;C=CCC(C=O)=NO;FITZSBUOGYALDP-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38114;MM38114;C=CCC(C#N)=NO;WBVJGCVSDMBZOR-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38115;MM38115;N#CCC(C=O)=NO;GFUDVWJMTQOVMC-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38116;MM38116;N#CCC(C#N)=NO;VMMGDHWZWPDCFF-UHFFFAOYSA-N;109.09;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38117;MM38117;C=CN(C=N)C=O;RMODQLACDBJBOH-UHFFFAOYSA-N;98.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38118;MM38118;CC=NOCOC;VXUNWCLDBOBYGN-UHFFFAOYSA-N;103.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38119;MM38119;CC=C(C#N)NC=O;LMZRYPBGVWQJRM-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38120;MM38120;C=NNC(=N)C(C)(C)O;JJTDYZMWQFPDIT-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38121;MM38121;NC=C(C=O)NC=O;FVKUUCXWFLRAJD-UHFFFAOYSA-N;114.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38122;MM38122;N#CC(=CN)NC=O;AYCKOOOSHLJCSS-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38123;MM38123;CNN=C(NNC)NOC;ZJVWGDRGSKEROS-UHFFFAOYSA-N;147.18;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38124;MM38124;CC(O)C(=NN)NC=CF;AYJGJDZJAPLAQI-UHFFFAOYSA-N;147.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38125;MM38125;O=CNC(C=O)=CF;KCVSBEAREGLNNM-UHFFFAOYSA-N;117.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38126;MM38126;N#CC(=CF)NC=O;SPJHFGSAVXPXRP-UHFFFAOYSA-N;114.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38127;MM38127;CCC(F)C=NNC;HXUZJDAAAOHWBR-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38128;MM38128;C=NOCOC(=NC)NO;NGCYBIHLIIMZSN-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38129;MM38129;C=CN(N=C)C(=NN)NC;JVSLJOVGRIBJOM-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38130;MM38130;C=COCON=CC;YPIMVLRNJPJJPV-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38131;MM38131;CNC(C#N)C(C)C#N;MEKDYLRPQVKJFX-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38132;MM38132;CC(=O)C(N=CN)=C(C)C;AGXULWASMDATBH-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38133;MM38133;CNNC(=N)ON=CNO;HOFWIEOQWYMHKL-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38134;MM38134;CN=C(C#N)NC=O;JYXIPPUJRMYOOG-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38135;MM38135;C=CNC(C=O)=NO;YADXTQINKQCGNY-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38136;MM38136;O=CNC(C=O)=NO;NORAVMUFGDHJQH-UHFFFAOYSA-N;116.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38137;MM38137;N#CC(=NO)NC=O;PBGKOADJGXLQFL-UHFFFAOYSA-N;113.08;-0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38138;MM38138;CNN=C(C)N(C)C=N;GYMOFFNHAABDLD-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38139;MM38139;CCNN=C(CC)NC=N;SPADGQNTRHYPSA-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38140;MM38140;C=CNC(=NN)C(=N)NN;AFUKXJSUXSRCTD-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38141;MM38141;C=NNC(C#N)=NO;YOJWHFYFNFEALK-UHFFFAOYSA-N;112.09;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38142;MM38142;C=COC(C=O)=CN;VJPBBNXTWNAKIJ-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38143;MM38143;COC(C)(C)C(=O)N(C)N;KTGCUSMQWDQRCP-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38144;MM38144;N#CC(=CN)OC=O;MVCRAGPERZVTRC-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38145;MM38145;C=COC(C=O)=CF;VQNNPQPNBBGJTL-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38146;MM38146;C=COC(C#N)=CF;ZNBBVGUKDWCCKK-UHFFFAOYSA-N;113.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38147;MM38147;N#CC(=CF)OC=O;ZLEDSNDEQRUZPI-UHFFFAOYSA-N;115.06;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38148;MM38148;COC(C#N)=NNC=N;ZDPVYLUTKRIGNW-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38149;MM38149;C=CC(=NO)OC=O;SXIWLGHOYLFBLC-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38150;MM38150;N#CC(=NO)OC=O;SXVKDEVTJYOJIW-UHFFFAOYSA-N;114.06;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38151;MM38151;CCOC(C#N)=NNC=N;YTWMXVGQTNIGOP-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38152;MM38152;C#CCC(C=O)=CN;MTSNXRLZKYKQGH-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38153;MM38153;CCON=C(N)CC=O;ICXPGOWNAOSETJ-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38154;MM38154;C#CCC(C=O)=CF;UNJYZGAJKVGLCM-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38155;MM38155;C#CCC(C#N)=CF;NMKGPQSGUYHRNZ-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38156;MM38156;C#CC=C(F)C(=O)N(C)N;BQWLPWVBBLFZSM-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38157;MM38157;C#CCC(C=C)=NO;MEZWZSGVFWSJMN-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38158;MM38158;C#CCC(C=O)=NO;WLYVBVQHTHGWHL-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38159;MM38159;C#CC(=CC)CCO;INBBUZJWWZYGKS-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38160;MM38160;C#CC(=CF)CCO;ZOXMJLGYHOFVLL-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38161;MM38161;C=NOC(C=CN)=NOC;LTLWPUCBKYDQNU-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38162;MM38162;CC(=N)N(CCF)C(C)=O;MCBSZFSQVCUTHE-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38163;MM38163;CNN=CN(C=N)OC;GLDUMRCXCDGXHL-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15429;MM15429;C#CC(CCC)=NO;XVIUYNDNCWJSDI-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38164;MM38164;C=CCCONC=NNC;JOTURVWIZJNGND-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38165;MM38165;C#CC(CCO)=NO;NFIAFKHVQYZWMZ-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38166;MM38166;C=C(C#N)C(=O)N(C)C=N;IRJMNBIJILHGTL-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38167;MM38167;CNN=CNOCCC#N;SFZUFZATYRHZQZ-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38168;MM38168;CNN=CC(C)OCCF;KIGUMXBTAKGSHV-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38169;MM38169;CNN=C(C)NC(=N)OC;MRERWCUKCWIZOF-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38170;MM38170;C#CC(=CC)CC=O;NMTDQIDLQIFPCV-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38171;MM38171;C#CC(=CC)CC#N;ZJYJYUHUZFZEAH-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38172;MM38172;C#CC(=CF)CC=O;PQWYDAQSHXGBPC-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38173;MM38173;CCC=CC(=N)N(N)C=O;REIRNHMVQZDBLW-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38174;MM38174;C#CC(CC=C)=NO;DRKPZLLTWTZREH-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38175;MM38175;C=NN(CC#N)CCOC;NKJMOSQQCXOOJK-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38176;MM38176;CC=NN(C=N)C=NC=N;NCRDHJKNDMSSQL-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38177;MM38177;C#CC(=CF)NC=O;UFYKIYWVGIIXNF-UHFFFAOYSA-N;113.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38178;MM38178;NN=CC=COCOC=O;ADHCDPSQRCERJO-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38179;MM38179;C#CCON=CC;JKWZVVSQPCIZSY-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38180;MM38180;C#CC(=NC)NC=O;FDXRZDMHFFZAKJ-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38181;MM38181;CCNC(C)C(=NN)NC;JRUUFKWGGAEJLG-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38182;MM38182;C#CC(=NN)NC=O;DZGANQXMZMBVAC-UHFFFAOYSA-N;111.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38183;MM38183;CN=CN=C(C)NC=N;HWABTDHXSDWTKB-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38184;MM38184;CNN=CNC(C)(C)C#N;RXIGZUBMZGSILN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38185;MM38185;C#CC(=NO)NC=O;FTDNMXHBHPQHSZ-UHFFFAOYSA-N;112.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38186;MM38186;C=NNC=CN=NC=NC;OXXMDOUYIXYVRT-UHFFFAOYSA-N;139.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38187;MM38187;CCON=C(N)C(C)C=O;ZJAVAIRKMREKLC-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38188;MM38188;C#CC(=NO)NN=C;TWYGRAUBVHTOPS-UHFFFAOYSA-N;111.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38189;MM38189;C=C(F)CNCC=O;WYLPGQCEXFAJAD-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38190;MM38190;CN(CC=NO)CCF;KXUGXTQCUMNOKM-UHFFFAOYSA-N;134.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38191;MM38191;C#CC(=NO)OC=C;CAHWOUIJTGTBOZ-UHFFFAOYSA-N;111.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38192;MM38192;C#CC(=NO)OC=O;ZPPDVLTVOSOHCE-UHFFFAOYSA-N;113.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38193;MM38193;CCNC(N)=CC#N;YAXDUWDCOZRSDS-UHFFFAOYSA-N;111.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38194;MM38194;C#CCC(C#C)=NO;DDIIANSUTVSFDX-UHFFFAOYSA-N;107.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38195;MM38195;C=C(F)C(=O)N(C)N;PRLRDSZPHLXMPT-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38196;MM38196;CCN(C)N=CCC#N;VBHGMPPWTIEAMN-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38197;MM38197;C=NOCC(CF)=NN;NSBVGEQVWICQJD-UHFFFAOYSA-N;133.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38198;MM38198;CNC(=NCC#N)NO;SZEKBAWQEUMTME-UHFFFAOYSA-N;128.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38199;MM38199;CC=C(C=NO)CO;YNOZSUFHFHHKTM-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38200;MM38200;CCN=CN=C(C)NC=N;MPOUJGRGQZUWFS-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38201;MM38201;CC=CC(CO)=NO;NJLLQPVYEXKXJN-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38202;MM38202;N=CN(O)C=NC(=N)CO;SJICXMJRWJKEEL-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38203;MM38203;CCC(C=NO)=NN;YPGAQSVEXBNMCL-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38204;MM38204;CCC(C=NN)=NO;FBWHLDRCYLLSGJ-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38205;MM38205;N=CN(O)C(=N)CF;BWIQSACLGKKYFP-UHFFFAOYSA-N;119.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38206;MM38206;CCN(O)C(=N)C=NNC;DBUXSEXWMIPRDQ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38207;MM38207;C=C(C#N)C(C#N)NC=N;MPRVPLCBPPSKCY-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38208;MM38208;CC=CC(=NO)NO;PUFQTRWUQGJPOG-UHFFFAOYSA-N;116.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38209;MM38209;ON=C(C=CF)NO;LJPZIXVOHOOJRL-UHFFFAOYSA-N;120.08;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38210;MM38210;CC(C#N)NN=CNO;AYKXCLBVGGEJSS-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38211;MM38211;CCN(CC)N=CNO;LMLCOAUHVPZLDV-UHFFFAOYSA-N;131.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38212;MM38212;CCC(C)N(C)N=CNO;RRYSHTVWDLTKRO-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38213;MM38213;C#CC=C(N=CNO)OC;GEDTYVKAVLAGJS-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38214;MM38214;CNC(=NOC)NOC;RMRPKJAXAJCWGP-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38215;MM38215;NN=C(C=NO)NO;KRUFHFXDASCMJT-UHFFFAOYSA-N;118.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38216;MM38216;NN=CC(=NO)NO;ANCJTQGGMIFXKH-UHFFFAOYSA-N;118.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38217;MM38217;ON=CC(=NO)NO;FLLRGAZEGZOMEY-UHFFFAOYSA-N;119.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38218;MM38218;C#CC(CC)=NNCC;ALZAUDVVAQHFJS-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38219;MM38219;COC(C=NO)=CN;NPICDFTUXVIADX-UHFFFAOYSA-N;116.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38220;MM38220;C#CC(=O)N(N)C(C)(C)C;YAKYKFOCSIJGFP-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38221;MM38221;COC(C=NO)=CF;RXHHCCXASNWOEI-UHFFFAOYSA-N;119.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38222;MM38222;N#CC(=NNC=N)OC=O;PLEZVZLBWKFWME-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38223;MM38223;CN(C)CCC(=O)C=CF;ISTBOPQTRREHSQ-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38224;MM38224;C=COC(C#N)=NNC=N;KIYMUSSQVDUPPG-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38225;MM38225;COC(C=NN)=NO;PXBYDPKNGPZQBO-UHFFFAOYSA-N;117.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38226;MM38226;C#CC(C#C)N(N)C(C)=O;RMPPQLMFHYOQIX-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38227;MM38227;C#CC(C)NN(C=O)CC;YKVMKOOJWYFYHN-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38228;MM38228;CCNN=CN(C=N)OC;HGWPXIFMTDNPAI-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38229;MM38229;CC=C(C)C(=N)N(N)C=O;HLGKVYAZTYKCFM-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38230;MM38230;CC(C=NOC=NN)=CN;RNSUSGWQAYSICV-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38231;MM38231;CN=C(C#CC=NO)NO;LZTBAOAZYODYFJ-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38232;MM38232;C=CC(C=NO)=NN;CDNMFZQCHWPZDM-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38233;MM38233;C=CC(C=NN)=NO;LUYKIEWBRSXTRB-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38234;MM38234;C=CC(C=NO)=NO;GBEQLURDVZBEDB-UHFFFAOYSA-N;114.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38235;MM38235;N#CC(C=NO)=NO;FLZRVJREDCWTRN-UHFFFAOYSA-N;113.08;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38236;MM38236;C#CC(C=CC)=CC;HRNXUQRIICGWLQ-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38237;MM38237;C#CC(=C)COCON=C;IKKXINAMOYUXSR-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38238;MM38238;C#CC(C=NO)=CN;MUQUNBHFZYSVGX-UHFFFAOYSA-N;110.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38239;MM38239;C#CC(CC=NN)OC=O;DMLQPVBDYINHRN-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38240;MM38240;C=CN(C=N)C(=O)C=CF;PBCNDERZYKGXMG-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15400;MM15400;C#CC(C=CC)=NO;SIOCUQYRGZBCEJ-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38241;MM38241;N=CN(O)C=NNC=O;PANCVFPYKZKWHD-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38242;MM38242;C#CC(=C)N(C=N)C=NO;SHFJCVRGQGGKAD-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38243;MM38243;C#CC(C=NO)=NN;TYLJKSFMMKOMSU-UHFFFAOYSA-N;111.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38244;MM38244;C#CC(C=NN)=NO;RVDVUJJMHZLVJF-UHFFFAOYSA-N;111.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38245;MM38245;C#CC(C=NO)=NO;MRTMRTYKEFEHTI-UHFFFAOYSA-N;112.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38246;MM38246;CC#CC(=CC)CC;GWVWHRMKPSRNDX-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38247;MM38247;CC#CC(=CF)CC;UBUQSVHGOQMVJD-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38248;MM38248;CCC=NOCOC;IJABDZBDPUSBJT-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38249;MM38249;C=CNC(=N)C(C)(F)F;LTRAWLWZTCSXDF-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethylidenepent-3-yn-1-ol;MM01761;CC#CC(=CC)CO;AZUCQKKXBGEPLJ-UHFFFAOYSA-N;110.16;0.95;73015548;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38250;MM38250;CC#CC(=CF)CO;KGBUIYUEJPYYMZ-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38251;MM38251;CC#CC(=CC)CF;XEOADSSMLHIDGN-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38252;MM38252;C=C(C)C(=O)CCN(C)C;ILWGOCDXJYCPQQ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38253;MM38253;C#CCOC(C)ON=C;KQIQAKCFNJLHAQ-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38254;MM38254;C=C(OC)C(=O)N(C)N;DCOFUMARCTZXTH-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38255;MM38255;C=CC(=NO)N(C)C;QWZKUAFLXGAALS-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38256;MM38256;CC#CC(=NO)NO;QXDLEPBVYFPHKA-UHFFFAOYSA-N;114.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38257;MM38257;CC#CC(=NO)OC;JKEVYRWBCRUDFH-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38258;MM38258;CC#CC(C#N)=CC;HMJMHFWIHDJTKH-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38259;MM38259;CC#CC(C=O)=CN;FPRSAEYRGZBCCZ-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38260;MM38260;CC=CC(=N)N(N)C=O;CPOULDOZUBHNSC-UHFFFAOYSA-N;127.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38261;MM38261;CC#CC(C#N)=CF;IURFCFRTKQOQAG-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38262;MM38262;CC#CC(C#N)=NO;QNFUOWGSCGMBMX-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38263;MM38263;C#CC(C#CC)=CC;SVLPSDYIEZNPMD-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38264;MM38264;C#CC(C#CC)=CF;QOWTWRXXESXLGR-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38265;MM38265;C=NOC(C=NN)OC;CHEFIFJMKAEMNA-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15449;MM15449;C#CC(C#CC)=NO;XTZKJPLFWAXDPX-UHFFFAOYSA-N;107.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38266;MM38266;C=NN=CN(O)C(C)=N;FJYXHLQUVWRCGZ-UHFFFAOYSA-N;128.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38267;MM38267;C=CC(=O)CCN(C)C;PENDLXYAEYGSTB-UHFFFAOYSA-N;127.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38268;MM38268;COC(=N)N(O)CCC#N;WKTGMDLFNIDTQB-UHFFFAOYSA-N;143.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38269;MM38269;OCC=C(CO)CO;DRLCSWDVAKHTJF-UHFFFAOYSA-N;118.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38270;MM38270;OCC(=CCF)CF;BZMYWGXGXNIZDJ-UHFFFAOYSA-N;122.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38271;MM38271;CC(C)(C)NN(C=O)C=O;RLDAFQXSIPOYIW-UHFFFAOYSA-N;144.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38272;MM38272;OCC=C(CF)CF;VQJISNJFJOTTSC-UHFFFAOYSA-N;122.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38273;MM38273;CCC(=COC)CC;QIKQZNVUXFEASZ-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38274;MM38274;C=NOCOC(C)=CC=O;FGUDULZFXKHXBB-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38275;MM38275;COC=C(CO)CO;BJONDMOPEQTIQF-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38276;MM38276;COC=C(CO)CF;GKUSGKJGCJQOEJ-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38277;MM38277;CCC(=CCO)OC;URNMGLMPUFUUIY-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38278;MM38278;C#CC(C#C)C(=O)N(C)N;BLVDFUBCWIVMRH-UHFFFAOYSA-N;136.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methoxypent-2-en-1-ol;MM01720;CCC=C(CO)OC;SPBYLQSHFUCVPM-UHFFFAOYSA-N;116.16;0.92;57211636;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38279;MM38279;C=NNC(=N)CC#CCN;FNWVTFNGEAZLGW-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38280;MM38280;COC(=CCO)CO;UUPBMVHRUQOABJ-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38281;MM38281;COC(=CCF)CO;IRAUBBSVNJLLCR-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38282;MM38282;CC(=O)N(N)CC#CCF;WOPQLYJSNYFEOR-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38283;MM38283;COC(=CCO)CF;GTQRIHFCMFYGTA-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38284;MM38284;CCC(=COC)OC;ZPKHXHQEJGVTPM-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38285;MM38285;C#CCN(CC#C)CC#N;BSSFFFVKZOENTP-UHFFFAOYSA-N;132.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38286;MM38286;COC=C(CO)OC;WAYQHEXZDUVVRF-UHFFFAOYSA-N;118.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38287;MM38287;C#CC(C)(C#C)N(N)C=O;RDQFOAIXFBFEFM-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38288;MM38288;C#CC(C(=O)CF)N(C)C;CGYYVINDGQGDAO-UHFFFAOYSA-N;143.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38289;MM38289;CNC(C=O)CC(C)=CF;PVFWOVSZHRYGJT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38290;MM38290;CNC(C=O)CC=CF;DRSSHVKXGRSBOP-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38291;MM38291;C=NN(C)CC(C=O)=CF;WPRLFZLTZSNIDX-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38292;MM38292;C=NNCC(=C)OCC#N;AOXCLWYZYUZZQR-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38293;MM38293;CN(O)C(CCO)=NN;VZHLQNYOROCWTL-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38294;MM38294;CCC(=NO)NOC;IVBRJZMUWWUBAL-UHFFFAOYSA-N;118.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38295;MM38295;CNC(C=O)CC=CC#N;NESKCEYFOZUBEB-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38296;MM38296;C=C(CF)CC(C=O)NC;VAHCYIJPXVURIB-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38297;MM38297;COCC(F)=CN=CNO;FZJHSQJGHDNKHL-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38298;MM38298;C=CC#CC(=O)N(C)C=N;XVORLHRVNKWUEM-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38299;MM38299;CON=C(CO)OC;AIPFSSJLTUJSBV-UHFFFAOYSA-N;119.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38300;MM38300;C=NOCOCC(=C)C=O;FBOOWMFAJASUMK-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38301;MM38301;C=NNCCOC(=C)C#N;NQLJYUKIZWHISF-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38302;MM38302;CC(NCC=O)C(=O)C=O;SSEHXCPNJAYHON-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38303;MM38303;CC(C)ON=C(N)CC=O;MPZUIRWWMWIDKC-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38304;MM38304;C=NN=CC(C=O)NC;OIEDFLVRUPOKON-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38305;MM38305;C=CCN(N=C)C(=N)OC;AYKFDMPYYQCTPC-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38306;MM38306;CCC#CC(=NNC)NN;ILAHPQKOQFWVSU-UHFFFAOYSA-N;140.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38307;MM38307;CCCNN=CNOCC;HUKHXYWBBQLMSZ-UHFFFAOYSA-N;145.21;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38308;MM38308;C#CC(=NC)N(C=N)N=C;BOINUBFZOMMDCJ-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38309;MM38309;C#CCC(=NC=NN)NN;PWCKNQFQBOZRFH-UHFFFAOYSA-N;139.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38310;MM38310;C#CC(C)(C)N(N)C=NN;HMKRLWGXIBZSHU-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38311;MM38311;NN(C=O)CC(F)F;NZFDZUOWVCQYLX-UHFFFAOYSA-N;124.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38312;MM38312;C=C(C)CC(C=O)NC;JKXCBPBWTLUVEW-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38313;MM38313;CON=C(C)NC=CC=O;HTKJWBJXEBTQDK-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38314;MM38314;C=CCC(C=O)NC;LMBDIENTAFTBIX-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38315;MM38315;C=NOCC(=O)OC;YMOYSFWMTBXAQL-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38316;MM38316;C=CC=C(CO)CO;BDELDFKAIRDXFR-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38317;MM38317;O=CC=C(CO)CO;DJEBWVWDVNXTIB-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38318;MM38318;N#CC=C(CO)CO;DIBCQZAAUOUKOX-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38319;MM38319;N#CC=C(CO)CF;ZGSWMZBVUOFRJY-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38320;MM38320;CNC(=CC=O)CO;PHBKUJSTLCOPFC-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38321;MM38321;N=C(NN)NC(=O)NO;LIFHBXKBCOOZRM-UHFFFAOYSA-N;133.11;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38322;MM38322;CC(F)(F)CN(N)C=O;OMUBVUIDRSGTGA-UHFFFAOYSA-N;138.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38323;MM38323;C=NNCCC(F)CF;PBPJDBYUWCHSJM-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38324;MM38324;CNC(=CC=O)OC;PUANFFKVSYUYQZ-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38325;MM38325;C=CN(C=O)C(C)=NC;LKHRTISOHHUIBX-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38326;MM38326;C=CC(C=NNC)=CF;WFNBMYMUEGREIZ-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38327;MM38327;C=NN=C(CC)CO;XQCHNMMNYRQISJ-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38328;MM38328;CCCN=C(C=O)NNC;IEPHNMLXQOXMNT-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38329;MM38329;COC=NOC(C)C=NN;OATJMQPJAXNHNI-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38330;MM38330;C=NN=C(CO)CO;BFLQHBVSTOQPLW-UHFFFAOYSA-N;116.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38331;MM38331;C=NN=C(CO)CF;SNFPSENISJXLCN-UHFFFAOYSA-N;118.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38332;MM38332;C=NN=C(CO)OC;GTPGVWVJJXQKBK-UHFFFAOYSA-N;116.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38333;MM38333;CCC=NOC(=N)NNC;VBECBUXZDKRIMO-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38334;MM38334;CN(CC=NO)N=CNO;NPTVKOQNVNPJKF-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38335;MM38335;NC(C=NO)=NCC=O;MNDVVCVXWQIRFD-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38336;MM38336;CC(CC(=N)N(C)O)=NO;MABHTUSROVHHRV-UHFFFAOYSA-N;145.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38337;MM38337;CN(C)C(=NO)N(C)O;PEBIVVVQDRJEBS-UHFFFAOYSA-N;133.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38338;MM38338;CN(C)C(=N)C(=O)CC#N;BIXRCOUVROBTJP-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38339;MM38339;CN(C(=N)N)C(C#N)C#N;XXCFYIBXWDWXJA-UHFFFAOYSA-N;137.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38340;MM38340;N#CC(=CCO)N(O)C=N;AYTITFWTVAKZLU-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38341;MM38341;C#CCN=C(NO)C(C)O;FDEAKDQZDGGLFM-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38342;MM38342;C=CC(=NC(N)=O)N(C)N;BYHASTKUKSGZRM-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38343;MM38343;C=NNC(=N)C(C)O;CNDRRZZQJGCVKY-UHFFFAOYSA-N;115.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38344;MM38344;CN(C)CC(F)C(=O)C=O;AURZVFSSUZJQBA-UHFFFAOYSA-N;147.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38345;MM38345;CCCNCC=NO;MVQPLQUPRQOCGD-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38346;MM38346;CC(C)N=CN(O)CC=O;HUVGOMNWSONPBK-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38347;MM38347;N#CC(C(=N)NO)=C(N)N;GCPVYQUCIRXWJN-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38348;MM38348;C=C(C)C(=NO)C(C)NC;QYTGTULDWQFFCM-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38349;MM38349;CN(N=CNO)C(C)(C)C;FLJGXQXRFVIUOH-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38350;MM38350;C=NN=C(OC)OC;DQVQJEMARDTFMD-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38351;MM38351;C=CNC(=N)C(=O)ON=C;ZYNGBFSUYMPVNB-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38352;MM38352;C#CC(C=C)C(=O)N(C)N;PSVOWJBORZJWFY-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38353;MM38353;CCN(N=CNO)C(C)C;ISNXOUJTOWJWMU-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38354;MM38354;C#CC=C(CO)CO;VYIICEYVKDSZPN-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38355;MM38355;C#CC=C(CO)CF;IACQKAAPFWMPOQ-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38356;MM38356;CN(C=NC=N)C(=N)C#N;HARMFBDRGMXBGA-UHFFFAOYSA-N;137.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38357;MM38357;C#CC=C(CO)OC;QXLZMTSKTCIKDA-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38358;MM38358;CCC(C=O)=CCO;UFILRKPLEOXVLC-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38359;MM38359;CN(C=N)C(=O)C#CCF;DPJVWLBYQQGWQB-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38360;MM38360;CCN(C=N)N=CCC=O;LILOGRWBQYGXSO-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38361;MM38361;CC=NN(C=N)C(C)C#N;XJEYCAJKFKRUGU-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38362;MM38362;N#CC(=CCF)CO;TTWSFZUMRYKGED-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38363;MM38363;N#CC(=CCO)CF;PURGFLJJVQXATG-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38364;MM38364;CCC(C=O)=CNC;OYEPDYWRYYNOJA-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38365;MM38365;C=CC(=NO)C(C)NC;UMRUWJXAHWWBLW-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38366;MM38366;COCCC(COC)=NN;BESPGLIJVBAZTP-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38367;MM38367;C=CC(=COC)CC;MXEOISIYDJEPCK-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38368;MM38368;C=CCN(C=NC=O)N=C;MDCSWVYWMOJEEX-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38369;MM38369;C=CC(=COC)CO;ULNXGYUJGLKBQM-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38370;MM38370;COC=C(C=O)CO;ABMGJIGJZMTBQM-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38371;MM38371;COC=C(C#N)CO;NEOLZILMRFLUHE-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38372;MM38372;C=CCNN=CCOC=O;KPYDACGSAIEHQQ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38373;MM38373;C=CC(=CCO)OC;QIKRXLGZTFCPSZ-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38374;MM38374;CNC=C(C=O)OC;XQYNKWANTNYYAW-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38375;MM38375;C#CC(C)C(=O)N(C)N;SSWKZLOHFONXJU-UHFFFAOYSA-N;126.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38376;MM38376;C=CC(=COC)OC;XGQFOUCLDRHIGV-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38377;MM38377;COC=C(C=O)OC;UZFIBIAWLILCBP-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38378;MM38378;COC=C(C#N)OC;RMFWWNYYOSJLGC-UHFFFAOYSA-N;113.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38379;MM38379;C=NN(C=NC=O)CC;LOCGYJSAHCEHRO-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38380;MM38380;C#CC(=NNC)N(N)C=C;ZVBMYIMIVTZQSU-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38381;MM38381;CNN=C(C=O)CO;CHNWFYSGAVQFOC-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38382;MM38382;CNN=C(C#N)CO;QQTUBPRDRDFVCN-UHFFFAOYSA-N;113.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38383;MM38383;COC(=CC=NN)CF;KRUJYANBVCMHAL-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38384;MM38384;C#CC(=NN)N(N)C(C)C;QRMNTVIEOOJENF-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38385;MM38385;C=NOCC=NOC(C)=O;YQHYFQAHMDGYIH-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38386;MM38386;C#CCC(=O)N(N)CC#C;AAYKHDTVXLEWQO-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38387;MM38387;C=CNC(=NN)C(C)=NN;ASTFVUZCXHAGAM-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38388;MM38388;CON=C(C#N)CO;SDSSONWWXCDXGY-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38389;MM38389;CON=C(C#N)CF;YPWYJYKSKDDFQI-UHFFFAOYSA-N;116.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38390;MM38390;C#CC(N)C=C(C)C=NO;LGOCVWANRAYRAF-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38391;MM38391;C=NN=CN=CNN;BIBIUCBSMQQHQP-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38392;MM38392;CCC(C)NN(C=O)C=O;DDGUGABHBKQKIR-UHFFFAOYSA-N;144.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38393;MM38393;CCC(C=O)=CC#N;MVZVAHFAPKYESB-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38394;MM38394;CCC(C#N)=CC#N;HWPFQLJNZQAOAF-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38395;MM38395;C=CC(=CC=O)CO;JJZGEYCEGHLPMJ-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38396;MM38396;C=CC(=CC#N)CO;NRHKRWXQUVVYOZ-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38397;MM38397;C=CC=C(C#N)CO;PGGBMWPCPUHTNR-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38398;MM38398;O=CC=C(C=O)CO;CDWDVIQPTITBNM-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38399;MM38399;N#CC(=CC=O)CO;IIYGLFGVKMBULQ-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38400;MM38400;N#CC=C(C=O)CO;XKYAPEKERVFDNA-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38401;MM38401;N#CC=C(C#N)CO;XYKIPGGARCKCRC-UHFFFAOYSA-N;108.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38402;MM38402;C=CC=C(C=C)CF;VLORPEYCAZZTML-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38403;MM38403;C=CC=C(C=O)CF;WIYGKHNUPYGNAS-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38404;MM38404;O=CC=C(C=O)CF;JKNJXKTVULGNQC-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38405;MM38405;N#CC(=CC=O)CF;WPJDEYSDVKQWBO-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38406;MM38406;N#CC=C(C#N)CF;YTCIZFHMGWJHJI-UHFFFAOYSA-N;110.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38407;MM38407;CNC(C=O)=CC=O;CKPCVYHVFBZALF-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38408;MM38408;C#CCCC(=N)N(N)C=O;KSVZOOBQEDUGRI-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38409;MM38409;CNC(C#N)=CC#N;DTAIRGHNBVSIAQ-UHFFFAOYSA-N;107.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38410;MM38410;C=CC=C(C=C)OC;VKAHZQALMRYBMZ-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38411;MM38411;COC(C=O)=CC=O;PUAMNDPYGQJOKM-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38412;MM38412;COC(C#N)=CC=O;LLFGXTDBQIHNPA-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38413;MM38413;COC(C=O)=CC#N;OWUCZXWLUUEECS-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38414;MM38414;COC(C#N)=CC#N;LMOFZOSGHNVFPY-UHFFFAOYSA-N;108.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38415;MM38415;C=CC(CO)=NN=C;FDJILIDPSUBEEP-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38416;MM38416;C=NN=C(C=O)CO;BZDSRVZAENFLGC-UHFFFAOYSA-N;114.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38417;MM38417;C=NN=C(C#N)CO;PMZIAKLAKLOECQ-UHFFFAOYSA-N;111.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38418;MM38418;C=NN=C(C=O)OC;VDORFDMYXPXBNW-UHFFFAOYSA-N;114.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38419;MM38419;C=NN=C(C#N)OC;CPJZJMXVXLOWOZ-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38420;MM38420;C#CC=C(C=O)CC;BZHLPSVZMZMIHJ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38421;MM38421;C#CC=C(C#N)CC;JTQIAQUGFZOPIM-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38422;MM38422;C=NN(C)C=NC=NC=N;SLODSNLELLEIJA-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38423;MM38423;C#CC=C(C=C)CO;VZAIFEQZLJHMAD-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38424;MM38424;C#CC=C(C=O)CO;UPAFYSBTCGIXNS-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38425;MM38425;C#CC=C(C#N)CO;VIMWDAQXAVKAOL-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38426;MM38426;C#CC=C(C=O)OC;PHJJZUVOAOZSEU-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38427;MM38427;C#CC=C(C#N)OC;JKSCVAHQNNZINW-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38428;MM38428;C#CC(COC)N(N)C=O;JEOXJLTXINXPSF-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38429;MM38429;COCC(C=NN)=NN;CCGSAMPWCLYNKJ-UHFFFAOYSA-N;130.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38430;MM38430;CNC(=CC#N)OCOC;QGEIJHDJVIWOQJ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38431;MM38431;C#CC(=CCC)CO;RONFGUKUXQUNHT-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38432;MM38432;C#CC(=N)N(C)OC=NN;OPNVDJDGXONTPT-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38433;MM38433;C#CC(=CCO)CO;KBRGCIATQRYTBG-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38434;MM38434;C#CC(=CCF)CO;ORSWKCDJBGHXNV-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38435;MM38435;CON=CCC(OC)OC;LFAYCAPRZLHMHI-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38436;MM38436;C#CC(=CCO)CF;YYMHGQFWCXZEON-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38437;MM38437;CNN=CCNC=CC#N;KBJXZIUNNLCGJZ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38438;MM38438;C#CC(=COC)CO;OGMRRWBSYQWAHF-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38439;MM38439;CCNN=CCOCCF;ZGCOOIWVWZYLCK-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38440;MM38440;C#CC(=CCO)OC;YQNSIFGFPNOHID-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38441;MM38441;C#CC(=COC)OC;TWMPIFQBXJZTBA-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38442;MM38442;C#CC=NN(C)C;IHHOMFWHMCWOSB-UHFFFAOYSA-N;96.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38443;MM38443;C=CC(CF)=NN;JRIDRFGIOLHVML-UHFFFAOYSA-N;102.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38444;MM38444;C#CCC(=O)N(C)N;IITKZPZSUPVNCE-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38445;MM38445;C=NOCOCOC;IGEIZZQYYRJECC-UHFFFAOYSA-N;119.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38446;MM38446;N#CC=CN(C=N)C=NO;RPEJHICFRUVEKT-UHFFFAOYSA-N;138.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38447;MM38447;C#CC(F)CN(N)C=O;AFOHEUCXUNLNMH-UHFFFAOYSA-N;130.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38448;MM38448;CCN(N)C=NC(=O)NN;HKOOWSDXHPZLNE-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38449;MM38449;CC=NN(C)C=NC=N;YTBGKVQHCDGCHE-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38450;MM38450;C#CC(=CC=C)CC;OYJZKOYMBABAPR-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38451;MM38451;C#CC(=CC#N)CC;YNQDPRXGHCSESG-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38452;MM38452;C#CC(C)OCON=C;SOTYVSLPWSFPFG-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38453;MM38453;C#CC(=CC=C)CO;LEOFBEVXODBRTK-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38454;MM38454;C#CC(=CC#N)CO;CVHXEGYFFGDCDB-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38455;MM38455;C#CC(=CC=C)CF;OJUFHJIXKVTSLK-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38456;MM38456;C=NN(C=N)C=NC=N;PNUKWNQLHPPVSO-UHFFFAOYSA-N;125.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38457;MM38457;C#CC(=CC=C)OC;PXKDGWAWRGHADV-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38458;MM38458;C#CC(=CC=O)OC;LNIWQZYLSWHVHH-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38459;MM38459;C#CC(=CC#N)OC;KMJIIPUHOAAEOZ-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38460;MM38460;CC=NN(C)C(N)=CC=O;WNWLEVFSOWNTLY-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38461;MM38461;C#CC(CO)=NN=C;KIYXAEKORHEFPQ-UHFFFAOYSA-N;110.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38462;MM38462;C#CC(=NN=C)OC;GLUXBOFDRRLSTM-UHFFFAOYSA-N;110.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38463;MM38463;C#CC=C(C#C)CC;BILQGLCFNLUUKX-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38464;MM38464;C=CC#CCC(=O)N(C)N;COEZPQSVFMMLBL-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38465;MM38465;C#CC=C(C#C)CO;ZPBHHLBKGBHLJX-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38466;MM38466;C#CC=C(C#C)CF;CTMZMCNHHDMHAD-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38467;MM38467;C#CC=C(C#C)OC;PRHIZHMQOVXQLK-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38468;MM38468;C=CC(C=C)=CCC;DBQVPSZNMNUZLR-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38469;MM38469;C=CC(C=O)=CCC;XOLVQXNIQOKWKO-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38470;MM38470;C=CC(C=O)=CCO;OMWOLIUUASOIQD-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38471;MM38471;CCC=C(C#N)C=O;WYSFIHXBQSRPFM-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38472;MM38472;CCC=C(C#N)C#N;JKBPBRLDGFKIIA-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38473;MM38473;O=CC(C=O)=CCO;MYCYMIDJCKCLCB-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38474;MM38474;N#CC(C=O)=CCO;CPCQIKDMVLDSFS-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38475;MM38475;N#CC(C#N)=CCO;DXRLJFUZZJTSSR-UHFFFAOYSA-N;108.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38476;MM38476;N#CC(C=O)=CCF;OIGBHESBSSTWKG-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38477;MM38477;C=CC(C=O)=CNC;HEZFJXHFXKDWAC-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38478;MM38478;CNC=C(C#N)C=O;AGAUQNJEIZUVSN-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38479;MM38479;COC=C(C=O)C=O;ZQCUVSUBKWQYQJ-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38480;MM38480;COC=C(C#N)C=O;NCQIJCZRPDYLHS-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38481;MM38481;COC=C(C#N)C#N;PPIRRJFTJMFMSM-UHFFFAOYSA-N;108.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38482;MM38482;C=CCNC=CC=NO;OAKIWMMOVPQLKF-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38483;MM38483;CNCC(C)(O)C(O)C#N;JAGPOZRCUFXUTH-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38484;MM38484;CNN=C(C#N)C=O;HSXPKUHHUDQJNG-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38485;MM38485;CNN=C(C#N)C#N;OHAZXIMDCZAWRR-UHFFFAOYSA-N;108.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38486;MM38486;C=COC(C=NN)ON=C;GAPOETUPPQPJOY-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38487;MM38487;COC(C)=CN=C(N)C=O;SKWUKHNLKRIDAE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38488;MM38488;C#CC(CN(N)C=O)OC;UHBXRVCHXZAJJU-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38489;MM38489;CON=C(C#N)C#N;BPAUMYWBCYAMGI-UHFFFAOYSA-N;109.09;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38490;MM38490;C=CC=C(C=C)C=O;AZVBDCGYHSSLPL-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38491;MM38491;C=CC(C=O)=CC=O;JUJLHGRWHDPYLG-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38492;MM38492;C=CC(C#N)=CC=O;NTFNEFILPXMMFF-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38493;MM38493;C=CC(C=O)=CC#N;GGBAZKUTKVAQHC-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38494;MM38494;C=CC=C(C=O)C=O;RYJKESGBZCVTQY-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38495;MM38495;C=CC=C(C#N)C=O;BPIPLJMALSPCTK-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38496;MM38496;C=CC=C(C#N)C#N;WFYXNYMBYDZLLP-UHFFFAOYSA-N;104.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38497;MM38497;N#CC=C(C=O)C=O;FWOCRMKPMYLDCQ-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38498;MM38498;N#CC(C=O)=CC=O;JJPWAQVCGUVCEP-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38499;MM38499;N#CC=C(C#N)C=O;RNPHTZBQKVOTGE-UHFFFAOYSA-N;106.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38500;MM38500;N#CC=C(C#N)C#N;ZRSVHSCCNNSGKM-UHFFFAOYSA-N;103.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38501;MM38501;C=CC(C#N)=NN=C;CALBCPDUUSAPHM-UHFFFAOYSA-N;107.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38502;MM38502;C=NN=C(C=O)C=O;MKWPDSKQJKWWNY-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38503;MM38503;C=NN=C(C#N)C=O;XHXOWCVNEDRUCW-UHFFFAOYSA-N;109.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38504;MM38504;C=NN=C(C#N)C#N;HIGZJSMRYUICCE-UHFFFAOYSA-N;106.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38505;MM38505;C#CC=C(C=C)C=C;HHWHJTLUWTYQRR-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38506;MM38506;C#CC=C(C=C)C=O;XUWTYGWWOSGQNY-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38507;MM38507;C#CC=C(C#N)C=C;CSQWCXFDNXECHM-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38508;MM38508;C#CC=C(C=O)C=O;RLHGCIVWEZARLK-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38509;MM38509;C#CC=C(C#N)C=O;OYJOGARBTOCFCN-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38510;MM38510;C#CC=C(C#N)C#N;VIYILVSFUAOBCY-UHFFFAOYSA-N;102.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38511;MM38511;C#CC(C=C)=CCC;VGTZUUIVEGYXFA-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38512;MM38512;C#CC(C=C)=CCO;UMZCJXUDZQZKKQ-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38513;MM38513;C#CC(C#N)=CCC;DXXVZMAANOEOBT-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38514;MM38514;C#CC(C=O)=CCO;PXQDFZFJNJMPIT-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38515;MM38515;C#CC(C#N)=CCO;USZDQQOCDSANMH-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38516;MM38516;C#CC(C=O)=CCF;GUCKKKRBTCECIY-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38517;MM38517;C#CC(C=O)=CNC;VGNJWOQPFFPBLK-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38518;MM38518;C#CC(C=C)=COC;LKHKXRSBKFKJHI-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38519;MM38519;C#CC(C=O)=COC;WSNITARBRACTKP-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38520;MM38520;C#CC(C#N)=COC;UZZADPNBELAPPR-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38521;MM38521;C#CC=NN(C=N)CC#N;BQPCEHKZYHXIMM-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38522;MM38522;CNC(=N)NN=CC#N;VVWCBDBIIOCFGU-UHFFFAOYSA-N;125.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38523;MM38523;CONC(=NO)N(C)N;POSWKGDRZJJPKI-UHFFFAOYSA-N;134.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38524;MM38524;C#CCN(C=CC=O)N=C;BEPDFBHGSONAEJ-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38525;MM38525;C=NN(C=N)C=NC=NC;ZSZOHMYSHUZVTA-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38526;MM38526;C#CC(C=C)=CC=C;RHORGJOJADBERI-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38527;MM38527;C#CC(C#N)=CC=C;JDJZZEVBMJSRIO-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38528;MM38528;C#CC(C=O)=CC=O;WCSMUDQTMNOOSC-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38529;MM38529;C#CC(C=O)=CC#N;BTQKKNAYDHIWGP-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38530;MM38530;C#CC(C#N)=CC=O;AHTDGSGOPYUMHD-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38531;MM38531;C#CC(C#N)=CC#N;NNNDEWUZXBFMOP-UHFFFAOYSA-N;102.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38532;MM38532;C#CC(C#N)=NN=C;KELHUKIRZWPVSC-UHFFFAOYSA-N;105.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38533;MM38533;C#CC=C(C#C)C=C;VKXRYOYAMKHBNI-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38534;MM38534;C#CC=C(C#C)C=O;SRDVRRKNRXIEDY-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38535;MM38535;C#CC=C(C#C)C#N;ASAQJMWBRNRQOE-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38536;MM38536;C#CC(C#C)=CCC;HGVNUCCSWJLVEJ-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38537;MM38537;C#CC(C#C)=CCO;NDRKQBBJZNFAFD-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38538;MM38538;C#CC(C#C)=COC;CRZVRFAHGWXHDP-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38539;MM38539;CN(C)N=CC=CF;SUMNVYNXGURQNV-UHFFFAOYSA-N;116.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38540;MM38540;CC(C)(F)CN(N)C=O;LMNGICVFYAMFMJ-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38541;MM38541;C#CC(C#C)=CC=C;XLHNSCLHPPZVOL-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38542;MM38542;C#CC(C#C)=CC#N;LNXHQZOQGZXDFL-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38543;MM38543;C#CC=C(C#C)C#C;OSWQJBSJLXNCPM-UHFFFAOYSA-N;100.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38544;MM38544;C=CC(F)CN(N)C=O;DMAMFQNOPYTYBK-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38545;MM38545;CC(=CF)NC(=NO)NN;NJTKXVBXDQZZLX-UHFFFAOYSA-N;148.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38546;MM38546;C=CC(C)C(=O)N(C)N;OODKSGBESMCRHJ-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(fluoromethyl)-3-methylbutan-1-ol;MM01750;CC(C)C(CO)CF;TXMQVJZKUKXNHT-UHFFFAOYSA-N;120.17;1.22;59547096;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38547;MM38547;C#CC(=C)C(=O)N(C)N;KGNTZZIFRCJYMH-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38548;MM38548;C#CC(N)C(O)(C=C)C=C;SHYCMSBQEYXEGE-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38549;MM38549;C=NN(C)C(=NC)OC;ASAMQMFCAZQKTM-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38550;MM38550;CN=C(CC#N)N(C)OC;LKKCSUHTRYZXNP-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38551;MM38551;CC(O)C(CO)CO;BTAREPMBYAAWOX-UHFFFAOYSA-N;120.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38552;MM38552;CC(O)C(CF)CF;AXCRKBQGTFPGCR-UHFFFAOYSA-N;124.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38553;MM38553;CC=NOCON=CC;WDFPWEZLIJMPSL-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38554;MM38554;CCC(C)(F)CN(N)C=O;OLMCURFMQPRIDH-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38555;MM38555;CC(F)C(CO)CF;JRVULYYPHKAVAW-UHFFFAOYSA-N;124.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38556;MM38556;C=C(CC(=O)N(C)N)OC;BXNGJQCTLMOGHI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38557;MM38557;C=COC(C)CN(N)C=O;SKMAAKRXXJSJQL-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38558;MM38558;C=C(N=CN)C(=O)CO;AAJNNRFFIWWMRV-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38559;MM38559;CON=C(C#N)C=C(C)N;FICAUPJPHLDNAS-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38560;MM38560;COC(CF)C(C)O;ZVUZPKIXOVSWGL-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38561;MM38561;COC(CO)C(C)F;CXFRMPGDEFIMNN-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38562;MM38562;COC(OC)C(C)C;YINGOXPFQFTXIX-UHFFFAOYSA-N;118.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38563;MM38563;COC(OC)C(C)O;PRAYXKGWSGUXQK-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38564;MM38564;COC(OC)C(C)F;WRYSKKRYJYSOOU-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38565;MM38565;C#CC(N)C(O)C=C(C)C;GSWFHKDXMBUACI-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38566;MM38566;CNC(C#CC#N)C(C)=O;OGMLLOGIZOQNSB-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38567;MM38567;CCC(C=O)C(C)C;SHGPBDQRELYPLO-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38568;MM38568;CCC(C#N)C(C)C;QWQABVCWMQBZMY-UHFFFAOYSA-N;111.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38569;MM38569;C#CC(=CC)C(=O)N(C)N;GZPIQQVLBPNXFP-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38570;MM38570;CC(C)C(C=O)CO;CRIPYUHMEPGFTM-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38571;MM38571;CC(C)C(C=O)CF;YRGDJJMZLQZRBX-UHFFFAOYSA-N;118.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38572;MM38572;CC(C)C(C#N)CF;WUBKFLKLGDHFIH-UHFFFAOYSA-N;115.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38573;MM38573;C=C(C#CC)C(=O)N(C)N;DUQDLIHJRDYTNH-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38574;MM38574;CCNC(=NO)NOCC;UTWYQXKVJNXPJA-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38575;MM38575;C#CCOCCN(N)C=O;OWKPBMJQSCFWTB-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38576;MM38576;C=NNC(=NC=O)N(C)N;RHAMEUSJKXAPDB-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38577;MM38577;CC=COCCN(N)C=O;HFMNTEYYGSRFPC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38578;MM38578;CC(F)C(C#N)CO;KNUUZWAFKXMWBD-UHFFFAOYSA-N;117.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38579;MM38579;COC(C)=NOCC=NN;IHABJMZMXMNHJP-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38580;MM38580;C#CCC(C#C)N(N)C=O;QDKBBRHQYPZKPR-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38581;MM38581;CCNN(C=O)CCC#N;MYUUYBYLBUMROG-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38582;MM38582;C=NN(C=O)C(=C)C=NN;AQJNALAYCOUDIY-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38583;MM38583;CC(O)C(F)=CN=CNO;YZKJPIAOPUFKDY-UHFFFAOYSA-N;148.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38584;MM38584;C#CCN(N)C(C)=O;AYKCDDODLZDWQT-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38585;MM38585;CC(C)C(=O)N(C)N;LIXLPWSELVCYHC-UHFFFAOYSA-N;116.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38586;MM38586;C#CC(N)C(O)C=CCC;IBFDYDVGCQWJMK-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38587;MM38587;CC=NOC(C)OC;ORJDHCDAZMOJSZ-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38588;MM38588;CC(C)(C=NN)OC=O;XFICXKGMVYJRCM-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38589;MM38589;C=CC(OC)C(C)O;YCYFZOSTZICWQH-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38590;MM38590;COC(C#N)C(C)O;JGIRGLNFUDPKNQ-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38591;MM38591;COC(C#N)C(F)F;JWSOUEBQOLTFRK-UHFFFAOYSA-N;121.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38592;MM38592;CC(C)CC(=O)N(C)N;XUIGZOTTZZVCCL-UHFFFAOYSA-N;130.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38593;MM38593;CC(O)C(C)(F)CN;YXIYWOUIWWRUDD-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38594;MM38594;CC(O)C(C)(C#N)NC=N;LEHDNMJIIPOWKX-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38595;MM38595;CN(C)C(C)(C#N)C=O;SILBVUSXOFTOAW-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38596;MM38596;C#CC(C)CN(N)C=O;RYVVQVNQYGHBSA-UHFFFAOYSA-N;126.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38597;MM38597;CNN=CCOC(C)=O;UFOGXUFIFFWCGK-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38598;MM38598;C=COC(C)ON=CC;VEXPIWGHBSRDGN-UHFFFAOYSA-N;129.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38599;MM38599;CNN=CC(C)=CC#N;LGUSKUWDJIOSEY-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38600;MM38600;CN(N)C(=O)CCCF;COQMESHJXNJCFC-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38601;MM38601;CON(C=O)C(C)C;XYPXIKDURAIBEN-UHFFFAOYSA-N;117.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38602;MM38602;COCCC(=O)N(C)N;MTPVLTUANSHZIZ-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38603;MM38603;C=CCCC(=O)N(C)N;PUZPWTIAQVGQNY-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38604;MM38604;C#CCCC(=O)N(C)N;RUWJQQSGGANAMY-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38605;MM38605;C=NOC(C=NN)CF;KSZPXAMLNLIKTB-UHFFFAOYSA-N;133.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38606;MM38606;CC(F)(CN)CO;WGOOIRAYYQVQFX-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38607;MM38607;C#CC(CO)C(C)O;OGLLKBFHKDZPCA-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38608;MM38608;C#CC(CF)C(C)O;HSBMLFCYDNVECD-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38609;MM38609;N=CNC(=N)C(F)CO;CLACXAXDWBKQNT-UHFFFAOYSA-N;133.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38610;MM38610;C#CC(CO)C(F)F;QTZFSRJCHFHYCB-UHFFFAOYSA-N;120.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38611;MM38611;C#CC(C)CC(=O)N(C)N;MKPYKNRRQXJHQM-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38612;MM38612;CC=NN(C)C=NC(C)=N;NSTKRCLJEPYNDG-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38613;MM38613;COCCCC(=O)N(C)N;WXOVLZBOGMUDFS-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38614;MM38614;C#CC(OC)C(C)O;AQXQNRCNJVNKNX-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38615;MM38615;C#CC(OC)C(C)F;QLMPDUMGMBPUKI-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38616;MM38616;C=COCCC(=O)N(C)N;UBTMRSDEPZENQS-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38617;MM38617;CON=CN(O)C(C)=N;YPFFRDKJMWOQQL-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38618;MM38618;C=CC(C=O)C(C)C;FMXXVGOAMKRQEN-UHFFFAOYSA-N;112.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formyl-3-methylbutanenitrile;MM02334;CC(C)C(C#N)C=O;WBMMJHMFZQJKNC-UHFFFAOYSA-N;111.14;0.98;49766037;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-propan-2-ylpropanedinitrile;MM01990;CC(C)C(C#N)C#N;UFYGUTCPFMPGMP-UHFFFAOYSA-N;108.14;1.31;13180929;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38619;MM38619;C#CC(C#C)CN(N)C=O;URKHORWLXITAME-UHFFFAOYSA-N;136.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38620;MM38620;CC(O)C(C#N)C=O;FKBFREUFSGUTDT-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38621;MM38621;CC(O)C(C#N)C#N;WFYXSFDLRZCDNK-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38622;MM38622;C=CC(C=O)C(C)F;NWBXURJSFFMXTK-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02971;MM02971;CC(F)C(C=O)C=O;QAVUHRIKCNMYFD-UHFFFAOYSA-N;118.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15673;MM15673;CC(F)C(C#N)C=O;WHKQBYOIHNXFOT-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38623;MM38623;C=CC(C=C)C(F)F;ZZLBYKPMUUWCOH-UHFFFAOYSA-N;118.13;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15419;MM15419;N#CC(C#N)C(F)F;HOXBNRKMDFCSEC-UHFFFAOYSA-N;116.07;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38624;MM38624;C#CC(=O)N(N)C(=N)C=C;UJHXUOUKQBRLCE-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38625;MM38625;C#CCNC(=NN=C)NO;MTSVLTPWXCIGPP-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38626;MM38626;CC=C(C)N=C(CO)NN;VXXGPWRSNGVVNL-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38627;MM38627;C#CC#CC(C)(N)C(C)O;PTZHTFUOAOUNSW-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38628;MM38628;CCON=C(C#N)C=CN;YUZCSJOWQLNZSR-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38629;MM38629;C=CN(C=O)C(C)C;BMIGLHLHYIWCCD-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38630;MM38630;C#CC(=CC=NNC)OC;CUBHFCTXHBWLKE-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38631;MM38631;CC(C)N(C=O)C=O;ZZHARUYKVDDZTI-UHFFFAOYSA-N;115.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38632;MM38632;CC(=O)N(C)N;XDIIJQFNVMXIJQ-UHFFFAOYSA-N;88.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38633;MM38633;CC#CC=NNC;YMTZGOPUCMXNNW-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38634;MM38634;CC(C)CN(N)C=O;VDGKTISGGRIPOR-UHFFFAOYSA-N;116.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38635;MM38635;C=CCCN(N)C=O;KSHLUVVQGTXXAW-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38636;MM38636;N#CCC(F)(F)C(=N)N;QGZBZCKDISFAIJ-UHFFFAOYSA-N;133.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38637;MM38637;C=CC(C)CN(N)C=O;OPJNLCQGNFZJBS-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38638;MM38638;C#CC(C=O)C(C)C;QJEKHGDQXCWTIL-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38639;MM38639;C#CC(C#N)C(C)O;SMUUHHBTFQAEOB-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15414;MM15414;C#CC(C#N)C(C)F;KDPCOIBMLBDNES-UHFFFAOYSA-N;111.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38640;MM38640;C=C(F)CCN(N)C=O;ISCQYXLPYHEVOV-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38641;MM38641;C=C(C)C(CO)CO;VCGCHTQYUUAIGQ-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38642;MM38642;C=C(C)C(CF)CF;HHYVBCXFCVPUTF-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38643;MM38643;CCC(CO)C(C)=O;VIRLRDWLVKMFAA-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38644;MM38644;CC(=O)C(CO)CF;MLXRPIIWLOTNLH-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38645;MM38645;CC(=O)C(CF)CF;FCCUIYIYSXWMIC-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38646;MM38646;C=CC(=C)C(=O)N(C)N;JVGOEIYOMNYPFV-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38647;MM38647;NC(=O)C(CO)CO;HYRHLJWTFKJITA-UHFFFAOYSA-N;119.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38648;MM38648;NN(C=O)CCC=CF;ITYMKOZGYMEMCD-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38649;MM38649;C#CC(C)=NNCCC;XCWRYECCFCCNNV-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38650;MM38650;C#CCN(N)C(=O)C=C;PXQKZFSBEOOVOF-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38651;MM38651;C=NNC(=N)CO;WTGRLYWIQKUYFT-UHFFFAOYSA-N;101.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38652;MM38652;C#CC(C#C)C=NNC;SRTNIWCNYWLASW-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38653;MM38653;C=C(C)C(CO)OC;LTZRAAFYSQJAEB-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38654;MM38654;COC(CO)C(C)=O;AOLRAKHMLRJVPS-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38655;MM38655;COC(CF)C(C)=O;XIYHVGPNYKJXGF-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38656;MM38656;C#CC(F)=CC(=O)N(C)N;DCCNJDBGTTVBEC-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38657;MM38657;CCC(OC)C(N)=O;IIRXZLZIJHKUKX-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38658;MM38658;C=C(F)C(CO)OC;ILKBVMZHFNXRSC-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38659;MM38659;C=C(C)C(OC)OC;OBSHSWKHUYGFMF-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38660;MM38660;COC(OC)C(C)=O;ULVSHNOGEVXRDR-UHFFFAOYSA-N;118.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38661;MM38661;CC(CCF)CN(N)C=O;ZPDRRWMAMCBHCQ-UHFFFAOYSA-N;148.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38662;MM38662;COC(OC)C(N)=O;NXDRRCFVRXDPOV-UHFFFAOYSA-N;119.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38663;MM38663;COC(OC)C(=O)O;PHELOKYCCWVWFE-UHFFFAOYSA-N;120.1;-0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38664;MM38664;C=C(F)C(OC)OC;NXBXICDGUBVWQV-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38665;MM38665;COC=C(C)C(=O)N(C)N;TUXRXNQYDJUKPD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38666;MM38666;CC(C#N)CNC(C)C#N;MZHCLSWXMSRRDW-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38667;MM38667;C=C(CF)CCN(N)C=O;NUQVRFWLIJKAOE-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38668;MM38668;N#CCC(=N)N(O)CCO;AIJHCNMKNYUTFR-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38669;MM38669;C=C(CCOC)N(O)C=N;KYFDHEVGGYUVMS-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38670;MM38670;C=CC(CF)CN(N)C=O;BEHVJEQTXDHEME-UHFFFAOYSA-N;146.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38671;MM38671;CCN(OC)C(C)=O;IVVGGUAEMHWIBY-UHFFFAOYSA-N;117.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38672;MM38672;CCN(OC)C(N)=O;MZALFRNTSSLYAZ-UHFFFAOYSA-N;118.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38673;MM38673;C=NOCCOC(=O)OC;OMIHKKHXXXAFEH-UHFFFAOYSA-N;147.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38674;MM38674;C=C(C)C(C=O)CO;XEAYIEUKFACAKS-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38675;MM38675;C=C(C)C(C#N)CO;BZDHICIMAIVJHM-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethyl-3-oxobutanal;MM02841;CCC(C=O)C(C)=O;RHVXPAFWOYITES-UHFFFAOYSA-N;114.14;0.8;15228410;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethyl-3-oxobutanenitrile;MM02291;CCC(C#N)C(C)=O;BNOSMUJYKYEPSR-UHFFFAOYSA-N;111.14;1.13;14434846;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38676;MM38676;C=CC(CO)C(C)=O;ILCVMPSHJYPKLQ-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15645;MM15645;CC(=O)C(C#N)CF;JJDODWAERLKJCE-UHFFFAOYSA-N;115.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38677;MM38677;C=NNCCOC(=O)C=O;SGXBEKNVEKSRLS-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38678;MM38678;NN(C=O)CCC=CCF;JOXWLODKDLFASF-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38679;MM38679;CCN=C(NO)OCCF;OHVZABWFJYVKIY-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38680;MM38680;C=CC(CF)C(N)=O;GXURXMJHQSHSBU-UHFFFAOYSA-N;117.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38681;MM38681;C=C(F)C(C=O)CO;KDQBOGVDGHBNBR-UHFFFAOYSA-N;118.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38682;MM38682;C=C(F)C(C#N)CO;SWASNSFFVCSGRD-UHFFFAOYSA-N;115.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38683;MM38683;CCNC(C#N)C(C)C#N;LHZMPFZZVKIZRQ-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38684;MM38684;N#CCN(C=N)N=CC=O;QRMJCIJITOTBCF-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38685;MM38685;CNCC(=O)CC(C)=CF;HGDXRFJKKKRSOT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38686;MM38686;C=NOCC(C#N)=CNC;PMMNZWCJLBVLCV-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38687;MM38687;CC(C)C#CC(N)C(C)O;MTAQJVYMAFGAQL-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38688;MM38688;C=CC(OC)C(C)=O;DZCHXQSIHXNRRW-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38689;MM38689;COC(C=O)C(C)=O;OQVGXNUMYSYAGF-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38690;MM38690;C=NNCCOC=CC#N;XIQXDKKIAOWXFV-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38691;MM38691;CC(=CN(O)C=N)CCF;MLPHOZIYNLOROR-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38692;MM38692;CCNC(=NOCC)NO;UTWYQXKVJNXPJA-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38693;MM38693;C=CC(OC)C(N)=O;GQXFOEGZDJONMN-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38694;MM38694;COC(C#N)C(N)=O;YOOCOQNRDYKGDP-UHFFFAOYSA-N;114.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38695;MM38695;C=C(F)C(C=O)OC;RKCLAMZNSKUZOP-UHFFFAOYSA-N;118.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38696;MM38696;C=NOCCON=CC=O;LWQLHDQXGRFOHE-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38697;MM38697;C=C(C)N(C=O)CC;JEUQOODAVGQWKN-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38698;MM38698;CCN(N)C=O;NMLIDGSGENKDLB-UHFFFAOYSA-N;88.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38699;MM38699;CCCN(N)C=O;JNTNNUXPPZAEFD-UHFFFAOYSA-N;102.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38700;MM38700;C=C(F)CN(N)C=O;JZVVJHAYXHSATI-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38701;MM38701;CN(N)C(=O)C=CF;QSZHGKYICSTOKL-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38702;MM38702;CCN(C=O)C(C)=O;JIRXYFXTDNOIQO-UHFFFAOYSA-N;115.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38703;MM38703;C=C(C)C(=O)N(C)N;ZHZNCFOKBMXCBV-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38704;MM38704;C=CN(CC)C(N)=O;UREGCJJQUHMJGH-UHFFFAOYSA-N;114.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38705;MM38705;CCN(C=O)C(N)=O;XXOHTRZVMLBQBI-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38706;MM38706;C=NN(C)C(C)C#N;YEMKSOVKVMNOCT-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38707;MM38707;CCCCN(N)C=O;IUQLCQSKKGSTBR-UHFFFAOYSA-N;116.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38708;MM38708;CC(F)=CC(=O)N(C)N;SCGJBSIGFMOVCI-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38709;MM38709;C#CC=CC(=O)N(C)N;KMGCXNRJVMTVSN-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38710;MM38710;CN(C)C(C)(CO)CC=O;SAJOCVJPPVHLGV-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38711;MM38711;NNC=NC=NN=CCO;UDSCOTBATBTEAH-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38712;MM38712;CNC(=O)C(=N)NN;HITQPXZRLVDJGU-UHFFFAOYSA-N;116.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38713;MM38713;C#CC(C=NN)ON=C;VIZVPYLEMZJVJE-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38714;MM38714;C=C(C)N(C=O)OC;KQFXELRVNFRVNV-UHFFFAOYSA-N;115.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38715;MM38715;C#CC(C=C)N(N)C=O;NVTHVSKAKSHXBZ-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38716;MM38716;CCC#CC(CO)NC;CFJRMAREOBPQOK-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38717;MM38717;CCCC#CC(CO)NC;IAYCTGGOQSHHMH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38718;MM38718;C=CN(OC)C(N)=O;DIFOSVAUDOYTTI-UHFFFAOYSA-N;116.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38719;MM38719;C=NNC(=NC)C(C)CO;YLOREHAUPYWPMS-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38720;MM38720;CON(C=O)C(N)=O;ORHFBIRZVGULBW-UHFFFAOYSA-N;118.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38721;MM38721;C=CC(CF)NCC#N;AQRHALJEUDSXJB-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38722;MM38722;C#CC(CC)C(C)=O;AVWIFCNBGMVSDH-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15650;MM15650;C#CC(CF)C(C)=O;OZBKORTWIYFLNG-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38723;MM38723;C#CC(CC)C(N)=O;LMGBPFNEJNGDSG-UHFFFAOYSA-N;111.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethylbut-3-ynoic Acid";MM03707;C#CC(CC)C(=O)O;YHXLBJJLZTWBAZ-UHFFFAOYSA-N;112.13;0.73;12491392;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16430;MM16430;C#CC(CF)C(=O)O;DLKLDZQWYGAFKD-UHFFFAOYSA-N;116.09;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38724;MM38724;C#CC(CO)C(=C)F;DSNJCFQUWBCZCN-UHFFFAOYSA-N;114.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38725;MM38725;C=CCNC(C#N)CF;IUBZTIJDLBJTDU-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38726;MM38726;C=C(F)CN(C)N=CNO;UEQZJVDPFIQFCC-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38727;MM38727;C#CC(OC)C(C)=O;ABWGVJVPQAACIO-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38728;MM38728;C=NOC(C)(C)C(=O)C=O;OZOWSHLSNMZKDQ-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15721;MM15721;C=C(C)C(C=O)C=O;DQSMOZFSUDYBQE-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15666;MM15666;C=C(C)C(C#N)C=O;FMYGFTBXBWXCMK-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38729;MM38729;C=CC(C=C)C(C)=O;VJGKQMQNRHTFPT-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-acetylbut-3-enal;MM02365;C=CC(C=O)C(C)=O;HBCWXOIFRNTFTD-UHFFFAOYSA-N;112.13;0.58;21881681;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-acetylbut-3-enenitrile;MM02265;C=CC(C#N)C(C)=O;WXHLXVQZBBHGON-UHFFFAOYSA-N;109.13;0.9;20620942;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38730;MM38730;CC(=O)C(C#N)C=O;GVKKTOANAQJMGQ-UHFFFAOYSA-N;111.1;-0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-acetylpropanedinitrile;MM02235;CC(=O)C(C#N)C#N;FGRLXMNNTHBYKL-UHFFFAOYSA-N;108.1;0.24;3457331;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38731;MM38731;C=NOC(C)(C=NN)OC;OGCUBEFGBIRHSZ-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38732;MM38732;CNC(C#CCCF)CO;KOFQQHXRYPILAR-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38733;MM38733;C=CC(C#N)C(N)=O;BATWJCKBGPCRQH-UHFFFAOYSA-N;110.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38734;MM38734;N#CC(C#N)C(N)=O;MUVFZOSESRRBCU-UHFFFAOYSA-N;109.09;-0.86;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16009;MM16009;C=C(F)C(C=O)C=O;SSIZWHQPIOFTTH-UHFFFAOYSA-N;116.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15661;MM15661;C=C(F)C(C#N)C=O;TUNGRGMOAIPZTD-UHFFFAOYSA-N;113.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38735;MM38735;CNC(N)=CC(=O)N(C)N;HKCYVYZXVABWLT-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38736;MM38736;C=CN(C=O)C(=C)C;UBCINZVXRXWAKG-UHFFFAOYSA-N;111.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38737;MM38737;COC(C)=CC(=O)N(C)N;SVCOLFXIMTZWGI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38738;MM38738;C#CC(C)=CC(=O)N(C)N;JDGKLOLGFMIZSU-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38739;MM38739;C=C(C)N(C=O)C=O;SFPSEZZYFVJTKO-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38740;MM38740;C=CN(C=C)C(C)=O;HESJWXFQUDXWSB-UHFFFAOYSA-N;111.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38741;MM38741;C=CN(C=O)C(C)=O;CUJWYIRZZBEJOW-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38742;MM38742;CC(=O)N(C=O)C=O;ZAHBLOGBMDVRDK-UHFFFAOYSA-N;115.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38743;MM38743;C#CC(N)=CC(=O)N(C)N;YUWKUAXEFSEWAC-UHFFFAOYSA-N;139.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38744;MM38744;C=CCN(CC)N=CNO;JCLNTDJQCBLHTJ-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38745;MM38745;C=NNC(C=CCO)=NC;ZIBPCLOFONEUQW-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38746;MM38746;C=NNC(CCO)=NC;CZEKYBXMMVYKMM-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38747;MM38747;C=NNC(=N)CC=O;HWDZVTYPRXJOLH-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38748;MM38748;C=CN(C=C)C(N)=O;FTLTTYGQIYQDEL-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38749;MM38749;C=NOC(C#N)=NNC=N;OXFHOUTZFUSUMV-UHFFFAOYSA-N;139.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38750;MM38750;C=CN(C=O)C(N)=O;TVNKXFRJZUCHRC-UHFFFAOYSA-N;114.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38751;MM38751;C=CN(C=NN)C(C)=NN;KMAHSJDOPXLPOJ-UHFFFAOYSA-N;141.18;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38752;MM38752;N=CN(C=O)C(N)=O;LQSXOXDMJWSUER-UHFFFAOYSA-N;115.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38753;MM38753;NC(=O)N(C=O)C=O;KBKWRUBBBSNFNE-UHFFFAOYSA-N;116.08;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38754;MM38754;CC(C)=C(F)CN(N)C=O;XHLACGOJDGDFJJ-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38755;MM38755;C=C(CN(N)C=O)OCC;HINIHDMJISTJLU-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38756;MM38756;C=COC(=C)CN(N)C=O;FJXNLQXYEVXFTP-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38757;MM38757;C#CC=C(F)CN(N)C=O;BMHYCFJYAMEEAN-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38758;MM38758;CCNC=CC(=O)N(C)N;SOBDERJFGHEJNC-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38759;MM38759;CCOC=CC(=O)N(C)N;LEUJHRYOQKBXFP-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38760;MM38760;CN(C)C(=NNC=N)NO;AORKJYWPBSBDRF-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38761;MM38761;C#CC(N)CO;RSUWHQXXMTYZTI-UHFFFAOYSA-N;85.11;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38762;MM38762;CCNN=CNOC(C)C;GBCMGKNCYSHDRZ-UHFFFAOYSA-N;145.21;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38763;MM38763;CCNN=CNOCCF;YRCIXZADYBIMRV-UHFFFAOYSA-N;149.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38764;MM38764;C=NN(C=O)C(N)=O;NDRLGXOUINDULI-UHFFFAOYSA-N;115.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38765;MM38765;C#CC(C=O)C(=C)C;LYKACZQLVXKJIW-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38766;MM38766;C#CC(C=C)C(C)=O;NLFYPMGUIXURFS-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-acetylbut-3-ynal;MM02835;C#CC(C=O)C(C)=O;CXBJKYVDJICLFI-UHFFFAOYSA-N;110.11;0.02;90943273;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15616;MM15616;C#CC(C#N)C(C)=O;MLUZYSGCBSJIHL-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38767;MM38767;C=COC=CC(=O)N(C)N;QZVWEIDWTGLCQE-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38768;MM38768;C#CC(C=C)C(N)=O;WMOHAAUJXHRERN-UHFFFAOYSA-N;109.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15417;MM15417;C#CC(C#N)C(=C)F;BUGTVQLXRMRTGT-UHFFFAOYSA-N;109.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38769;MM38769;C#CC=C(C)C(=O)N(C)N;KSIRZCQWFOGWNV-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38770;MM38770;C#CC(C#C)C(N)=O;NGNJRQSQXCRJKH-UHFFFAOYSA-N;107.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38771;MM38771;CC=C(CN(N)C=O)OC;MTVNUPQVOSEUQV-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38772;MM38772;C=C(CC)C(=N)N(N)C=O;YMZRDLBNTFHBPU-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38773;MM38773;C#CC(=NN)N(N)C=CC;BVTIRLDWMXDNEY-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38774;MM38774;C=NN(C)C(=N)C(=C)C#N;RRBNVKVAMGHHNH-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38775;MM38775;CC=C(CO)C(C)O;KJPWLRVHNRGDOZ-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38776;MM38776;COC=CN(C)C(=N)C#N;MSRPRJXSECEFLE-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38777;MM38777;CCC#CC(=O)N(C)C=N;ZELGIOBGMBCNGN-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38778;MM38778;C=NOC(OC)C(=C)OC;DMJUJKAVRDLVNZ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-(2-methylpentan-3-ylidene)hydroxylamine;MM01582;CCC(=NO)C(C)C;MNKQRNPROVRGKF-UHFFFAOYSA-N;115.18;1.88;72733907;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38779;MM38779;NNC=NC=NN=CCF;GYKXEXLYNBJAQZ-UHFFFAOYSA-N;145.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38780;MM38780;C=COC(=C)C(N)C(C)O;LAHFHQSQYZNKTF-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38781;MM38781;CC(C)C(CO)=NO;JAPZOJGQUNJFAA-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38782;MM38782;C#CC(C=CF)N(N)C=O;FWKFBMYCNHNBMN-UHFFFAOYSA-N;142.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38783;MM38783;CCC(=NO)C(C)O;OMMSGJSEZJLPGW-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38784;MM38784;C#CCN(C=NC=N)OC;SAHOXVMQKUKGIG-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38785;MM38785;CC(F)C(CO)=NO;YPFYZJSHDFZMLV-UHFFFAOYSA-N;121.11;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38786;MM38786;C#CC(F)=CN(C)C=NN;BWFOJNQCQZYRGZ-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38787;MM38787;CC=NN=CN=CNN;TVHXCGCOCCGBPM-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38788;MM38788;CC(C)=NN=CN=CNN;CAONYBYBYIAPLV-UHFFFAOYSA-N;141.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38789;MM38789;CNCC(=O)C(C)C=CF;XVSCGFNJQNQGBV-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38790;MM38790;CC(C)CN(O)C=N;CEERSNHWVPJFRC-UHFFFAOYSA-N;116.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38791;MM38791;CCC=NN=CN=CNN;WUWNAZNVQLHYGD-UHFFFAOYSA-N;141.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38792;MM38792;C#CC=NOC(=N)NNC;XCJKAZKAVKMIEA-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38793;MM38793;CC(O)C(=NO)NN;OTADOCIWWNJUHW-UHFFFAOYSA-N;119.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38794;MM38794;CC(O)C(=NO)NO;PIJSQJPBZNLEAI-UHFFFAOYSA-N;120.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38795;MM38795;CC(=NC(=O)NN)N(C)N;XZDWPHPCTZOOKC-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38796;MM38796;C#CC(C(=C)C)N(N)C=O;GDZUJLZRYUZTAC-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38797;MM38797;CC#CC(=N)NC(C)=NO;GETVZMOKHMKYMA-UHFFFAOYSA-N;139.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38798;MM38798;COC(=NO)C(C)C;ANHYYYBKOGNJCJ-UHFFFAOYSA-N;117.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38799;MM38799;COCCCN(O)C=N;LCTOPRLMUWWEMG-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38800;MM38800;C=C(C)C(=NO)C(=N)NO;BVAPNPDLZFYUCK-UHFFFAOYSA-N;143.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38801;MM38801;CN(C)C(CF)=NO;UCZDKQPJDILBTL-UHFFFAOYSA-N;120.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38802;MM38802;C=COCCCN(O)C=N;KVKUZPIDVVEBGG-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38803;MM38803;CN(C=N)N=C(C#N)CO;QFDGPJKCUUWKSG-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38804;MM38804;C#CC(N)C(C)(C)C(C)O;FGHUZFPBROJBBP-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38805;MM38805;C#CC=CCC(=O)CNC;NQCQCEYKCSPLIR-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38806;MM38806;CN(C=O)N=CN(O)C=N;DMUCIOVJUAZHRA-UHFFFAOYSA-N;144.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38807;MM38807;CN(N)C(CF)=NO;SHDYMALXNNKQRH-UHFFFAOYSA-N;121.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38808;MM38808;C#CC(=N)NOC(N)=O;FCWAGWRUVMOFPZ-UHFFFAOYSA-N;127.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38809;MM38809;CCC(=NO)N(C)O;GRVXINLJMVAMJR-UHFFFAOYSA-N;118.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38810;MM38810;C#CC(=N)NOC(=O)NC;FYFYJQWMVHBBBO-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38811;MM38811;C=C(CO)C(F)(CC)CN;CSJBRTFIPBJKOD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38812;MM38812;CN(C)CC=COCCO;WXOGEKLTJOEZMC-UHFFFAOYSA-N;145.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38813;MM38813;CN(O)C(CO)=NO;PYWXAWVXQRGKGZ-UHFFFAOYSA-N;120.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38814;MM38814;NCC#CC#CCC(N)=O;MGQPOMFRUWVWEJ-UHFFFAOYSA-N;136.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38815;MM38815;CON=C(NO)NC(C)C;AJVNYRUAZZBEHP-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38816;MM38816;CON=CC(C#N)N(C)C;XFXBYUZQVZYXFR-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38817;MM38817;CNCC(=O)CC=C(C)C;KAPQTWYALICETO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38818;MM38818;C=C(C#N)C(CO)N(C)C;BYVNMBXDOQXKCM-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38819;MM38819;C=NOCOCON=CC;MKRWWVZFWFEFOK-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38820;MM38820;CN(N)C(=N)C(N)=O;OTRINEGLTYTZSZ-UHFFFAOYSA-N;116.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38821;MM38821;CNN=CNN(C)C(N)=O;WJSBHPJLJDJDDD-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38822;MM38822;C=NNC(=N)C(C)C=O;RJIGHBXGUZZUGB-UHFFFAOYSA-N;127.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38823;MM38823;CNN=CCOC=CC=O;RXWHXERNSAFPGG-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38824;MM38824;C=CCC(=O)CNC;OCUIXPBNCABSDC-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38825;MM38825;CC=C(C)CC(=O)CNC;IGUUCWPCOLBUHC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38826;MM38826;C=CCONC=NNCC;UWRLCCGLNNHDBL-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38827;MM38827;CNN=CN(C)N(C)C=O;BJWKPKRNOMEDRG-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38828;MM38828;CNN=C(C=O)CN(C)C;IGKDRDJVMHGHOB-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38829;MM38829;C#CCC#CC(=NN)NN;IEPGYJJWWKPZEV-UHFFFAOYSA-N;136.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38830;MM38830;CNN=CC(COC)=NN;UXSUDOCQHCEHQT-UHFFFAOYSA-N;144.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38831;MM38831;CC#CCNCCO;GGBLRUVGGGFJEG-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38832;MM38832;C#CC=NN=CN=CNN;VMSFCUWBURKGOS-UHFFFAOYSA-N;137.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38833;MM38833;CON=CC=C(N)C#N;RNDHKKNTUQFHNL-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38834;MM38834;CCC#CCNCCO;YQOAQSLCYMCTDX-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38835;MM38835;NN(C=NO)CC#CCF;YQXSUJTUWHVXJN-UHFFFAOYSA-N;145.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38836;MM38836;N#CC(O)C(=N)NNC=O;NKYLMAWMLNREGB-UHFFFAOYSA-N;142.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38837;MM38837;CCNNC(=NO)NO;IPGXWSNLSYSDGV-UHFFFAOYSA-N;134.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38838;MM38838;C=C(CC)CC(=O)CNC;CFQGNHSCXBORHR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38839;MM38839;CC=CC(=O)N(C)N;YNNPYNYMNBMHKR-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38840;MM38840;C#CC(O)C(=NCC)NO;GZBRYYPYKKMOGM-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38841;MM38841;C=C(C=NNC)OC;BNFLKUCIIUUXDK-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38842;MM38842;CCONC(=NO)NC;KXAGYWZRJKYWNO-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38843;MM38843;CC=NNC(=N)C(C)O;UJNNITJHCYZQOS-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38844;MM38844;COC(=NO)N(C)O;MWCAEIVGXUBSLJ-UHFFFAOYSA-N;120.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38845;MM38845;CC=C(C=O)C(C)C;OEFHASHQBKCDRV-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38846;MM38846;CC=C(C#N)C(C)C;BGJLOOGPZREGKL-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38847;MM38847;CC=C(C=O)C(C)O;SCVIBFDKRPIMNP-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38848;MM38848;CC(F)C(C=O)=CN;FCAXAVGELHNDGA-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38849;MM38849;C=NN(CC)CC#N;YWFUVPIWVOWUNM-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38850;MM38850;NC=C(C=O)C(F)F;ZZAUKTRYGFWPBY-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38851;MM38851;CNN=CCCC#N;SDWDZJJTQCAWSZ-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38852;MM38852;CC(C)C(C=O)=NO;YUZPNXGUGIJGNT-UHFFFAOYSA-N;115.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38853;MM38853;CC(C)C(C#N)=NO;HJYHLHMSHSZQJY-UHFFFAOYSA-N;112.13;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38854;MM38854;CCC=NNC(=N)C(C)O;TVTBWMULGAHBRW-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38855;MM38855;CC#CCN=C(CO)NO;OILMXRDIPBMWIJ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38856;MM38856;C=CC(=NO)C(C)O;TZHYAIJKAADDRB-UHFFFAOYSA-N;115.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16222;MM16222;CC(F)C(C#N)=NO;BSDNJKMKEYKHMN-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16084;MM16084;N#CC(=NO)C(F)F;PULGPBMFMZHVSK-UHFFFAOYSA-N;120.06;0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38857;MM38857;NCC#CC#CCCO;KOEPORDNGHDQAE-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38858;MM38858;CCNN=CC=CF;FOFOOJUVLFQVBY-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38859;MM38859;CN(C)C(C=O)=NO;ZQNYCDDGKZEBDR-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38860;MM38860;CC(C)CN(C=N)C=O;XPLGCUUFMXAMOO-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38861;MM38861;N#CC(CC=O)N(O)C=N;QYHLYCDGUFRNPC-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38862;MM38862;C=CC(C)C(=O)CNC;HNQDCVVPMFCPJD-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38863;MM38863;O=CC(CO)N=CNO;TVMCAZVGCFSYJY-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38864;MM38864;C=CC(=NO)N(C)O;HMQHQIGHTMLSMM-UHFFFAOYSA-N;116.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38865;MM38865;CC(C)N(O)C=NCC=O;XBWLCPGJOJOSSS-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38866;MM38866;CCCNC(=NOC)NO;FRXBBTHKMAXJQJ-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38867;MM38867;CN(O)C(C#N)=NO;BOGRGGHCXFFXCB-UHFFFAOYSA-N;115.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38868;MM38868;C=CC(=C)CC(=O)CNC;GJNPSGZBYLTIHX-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38869;MM38869;C#CCN=CN(O)CC;RQHQJSMOOFLOLN-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16254;MM16254;C#CC(=NO)C(F)F;LWSGKJGFUMOKPB-UHFFFAOYSA-N;119.07;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38870;MM38870;CN=C(C=NN)NO;DQOOPEYESGCBFJ-UHFFFAOYSA-N;116.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38871;MM38871;C=CC(N=CNO)C(C)=O;ALGOGOKOPSTOQN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38872;MM38872;CNN=C(C)CCC#N;LEXUWGFGPRPPBP-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38873;MM38873;CON(C=N)C(C#N)=CN;YURKQUCMSHSDRZ-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38874;MM38874;C=C(C)CC(=O)CNC;KTXWOICVMQFDNB-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38875;MM38875;C=C(C)NC(=NNC)OC;INYIIVQNCUAPLX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38876;MM38876;C=CC(C)ONC=NNC;HQHGREJLQKPAGV-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38877;MM38877;C#CC(=NO)N(C)O;HBWPEYORAMRIPL-UHFFFAOYSA-N;114.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38878;MM38878;C=C(C)C(C)C(=O)CNC;JPNKMWXXGJSQME-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38879;MM38879;CCC(=CN)C(C)=O;IFEALEVLFMROPS-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38880;MM38880;CC=C(CO)C(C)=O;XDHOLJPOZUJUMW-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38881;MM38881;CN(N)C(=O)C=CCF;WSKSOQCOHPQGLY-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38882;MM38882;CC=CC(F)(CN)CCO;MFMAFBXVLAOCSK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38883;MM38883;CCNN(C=CF)C=NN;UMNRNVLAZISTSQ-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38884;MM38884;CCC(CF)(CC=O)NC;GSLQNFZBHPVJCK-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38885;MM38885;CC=C(CO)C(N)=O;KFCLCNOJVRIZRY-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38886;MM38886;CON=CN=CNN;WZKPZUYSZHKICX-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(hydroxymethyl)but-2-enoic Acid";MM03716;CC=C(CO)C(=O)O;BAOHMJZBCIUQEO-UHFFFAOYSA-N;116.12;0.01;53437016;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38887;MM38887;C#CC(=NC=NC)NN;ANYHCPDIPAXIKI-UHFFFAOYSA-N;124.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38888;MM38888;C=C(C)C(CO)=NO;JDSIMNUNMNANLQ-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38889;MM38889;CC(=O)C(CO)=NO;ZFIDQSUFOVFJOS-UHFFFAOYSA-N;117.1;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38890;MM38890;CCC(=NN)C(=O)O;WHQLNMBGIIFQQE-UHFFFAOYSA-N;116.12;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38891;MM38891;CCC(=NO)C(=O)O;ALSXSMFPNNAYPI-UHFFFAOYSA-N;117.1;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38892;MM38892;CON(C=NC=O)C(=N)N;URTBWLSODSGSCA-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38893;MM38893;C=C(F)C(CO)=NO;WGFUVXDWXVMURY-UHFFFAOYSA-N;119.1;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38894;MM38894;CCON=CN=CNN;ATXXEKLMVDEWKD-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38895;MM38895;C=C(C)C(=NO)NO;PTAXHSBSSCYHMK-UHFFFAOYSA-N;116.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38896;MM38896;CN(C)C=NC(=N)CC#N;OITPFLNDGGVKBZ-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38897;MM38897;CC=NN(C)C(C)C#N;CCOKWUDAJDJLKB-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38898;MM38898;CCCON=CN=CNN;ZSBMOTDDQNSIHV-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38899;MM38899;CCN(C=N)N=CC=NN;GJBKDXBGXYIZPX-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38900;MM38900;C=NNC(C=O)C(C)NC;VJRYVRROMKFQDK-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38901;MM38901;C=NNC(=NNCC)NC;HLIQLBFNZBXWGW-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38902;MM38902;C#CC(=N)NOC(=O)NN;WOYVGZLJJMYEAC-UHFFFAOYSA-N;142.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38903;MM38903;COC(C#N)C(=N)N;ZPJLHDDNKRNMHJ-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38904;MM38904;C#CC(C#N)C(=N)N(C)C;BZIZPJZMNBDVKQ-UHFFFAOYSA-N;135.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38905;MM38905;CC(=NO)N(N)CC=NN;QMLXFZPXDFJXLM-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38906;MM38906;N=C(NN)C(=NN)NN;QDZFQRGFXGKDML-UHFFFAOYSA-N;131.14;-2.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38907;MM38907;NC(=O)C(=NO)NO;LNLLABRDXCNBKK-UHFFFAOYSA-N;119.08;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38908;MM38908;CN=C(NN)C(=O)O;BDKHWAZFJFEKRP-UHFFFAOYSA-N;117.11;-1.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38909;MM38909;CN=C(NO)C(=O)O;VYUGJJKZBIVEEN-UHFFFAOYSA-N;118.09;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38910;MM38910;NN=C(NN)C(=O)O;HGMQATDTTXUBQD-UHFFFAOYSA-N;118.1;-2.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38911;MM38911;NN=C(NO)C(=O)O;DDRGGQVANXKFMH-UHFFFAOYSA-N;119.08;-1.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38912;MM38912;O=C(O)C(=NO)NO;KOLIUNRXLCKONB-UHFFFAOYSA-N;120.06;-1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38913;MM38913;C=NOCOCON=C;MNOGEUONXFUYGK-UHFFFAOYSA-N;132.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38914;MM38914;CNC(=NCC#N)N(C)O;CJZJMFJDIZTCAK-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38915;MM38915;C=C(F)C(=NO)NO;SUVBKDHTSDNMLN-UHFFFAOYSA-N;120.08;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38916;MM38916;COC(=CN)C(C)=O;ZVOIBFRWMYZNNB-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38917;MM38917;C=NOCOC=COC;JNMICTJOBXOKFL-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38918;MM38918;CC(C)(C#N)N(O)C=N;MVZGWHLQYZYFCV-UHFFFAOYSA-N;127.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38919;MM38919;C=NOCOC(C)(C)C=O;SXQZWAQRUNIYNX-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38920;MM38920;CC=C(OC)C(N)=O;HEGGAHREKDNAHZ-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38921;MM38921;COC(=CN)C(N)=O;IUKRAINNUULUPW-UHFFFAOYSA-N;116.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38922;MM38922;COC(=CF)C(N)=O;PFBOREXDFDWHEK-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38923;MM38923;COC(=CN)C(=O)O;PXROKJJPZUOMIS-UHFFFAOYSA-N;117.1;-0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38924;MM38924;CCCNCC(=O)C#N;TTZSCPPQHJCKOV-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38925;MM38925;C=CN(O)C(=NOC)NC;YJJFKGQYCMBMCQ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38926;MM38926;COC(=NN)C(N)=O;CBUWFTDAOKJXMP-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38927;MM38927;COC(=NO)C(N)=O;TXDWVDIOPWQUKN-UHFFFAOYSA-N;118.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38928;MM38928;COC(=NN)C(=O)O;OFVQHAOWRVECHN-UHFFFAOYSA-N;118.09;-1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38929;MM38929;COC(=NO)C(=O)O;FPANLXYGRLHLSR-UHFFFAOYSA-N;119.08;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38930;MM38930;C=CC(=CC)C(=C)C;KMMWQQOYGQELSK-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38931;MM38931;C=C(C)C(C=O)=CC;MSIPDZHPJYKAFN-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38932;MM38932;C=C(C)C(C=O)=CN;TXNNTNCCDRNXHX-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38933;MM38933;C=CC(=CC)C(C)=O;MARJPXOJPINVGK-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38934;MM38934;C=CC(=CN)C(C)=O;DCZOOIXEQAUJBT-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38935;MM38935;CC=C(C#N)C(C)=O;PZNNCAKOZCUZHC-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38936;MM38936;CC(=O)C(C#N)=CN;IQCVONLHNCEBQO-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38937;MM38937;CC(=O)C(C=O)=CF;UFKFHGXLQDTFBH-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38938;MM38938;CON=CCN(C)CC#N;HJCCOAMEFWFCCC-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38939;MM38939;CCON=C(NC)NO;KXAGYWZRJKYWNO-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38940;MM38940;N=CNC(C=CN)=NN;ICLFBIUOWXCHIL-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38941;MM38941;CN=C(C(N)=O)N(N)C=N;DUBWQFXOQYQHLY-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38942;MM38942;C#CCCC(=NN)NC=N;RFAQWMDZNNPUON-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38943;MM38943;CC=C(C#N)C(N)=O;SOOVQWISVRVEGT-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38944;MM38944;N#CC(=CN)C(N)=O;FRBZBJHKHSVFNK-UHFFFAOYSA-N;111.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38945;MM38945;N#CC(=CF)C(N)=O;SODHXPGCYGYVPB-UHFFFAOYSA-N;114.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(aminomethylidene)but-3-enoic Acid";MM03275;C=CC(=CN)C(=O)O;IKNSVRYBIQPXIY-UHFFFAOYSA-N;113.12;0.1;20680799;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16156;MM16156;N#CC(=CF)C(=O)O;HFFRKQFBWDWJHJ-UHFFFAOYSA-N;115.06;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38946;MM38946;C=C(F)C(C=O)=CN;IPUQWZIBMUALQQ-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38947;MM38947;C=C(C)C(C=O)=NO;VPEYKZVANGQVRC-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38948;MM38948;C=CC(=NO)C(C)=O;CJBLXUGLFNJHSN-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38949;MM38949;N#CC(=NO)C(N)=O;CAFXGFHPOQBGJP-UHFFFAOYSA-N;113.08;-1.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16439;MM16439;C=CC(=NN)C(=O)O;KJFDQGSQGBDULD-UHFFFAOYSA-N;114.1;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxyiminobut-3-enoic Acid";MM03447;C=CC(=NO)C(=O)O;GVMXZCKTILEYEE-UHFFFAOYSA-N;115.09;0.09;88405028;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38950;MM38950;N#CC(=NO)C(=O)O;CNEFRTDDIMNTHC-UHFFFAOYSA-N;114.06;-0.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38951;MM38951;CN(O)C=NC(C)(C)C=O;DKFYGNFRSOTESL-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38952;MM38952;COCC=CC(=O)N(C)N;OLKHNAABWFCGRN-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38953;MM38953;C#CC(=CN)C(N)=O;SFDORAUGNRABPU-UHFFFAOYSA-N;110.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38954;MM38954;C#CC(=CF)C(N)=O;OOBVZQFWBBPMME-UHFFFAOYSA-N;113.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38955;MM38955;C#CC(=CN)C(=O)O;AUYQVCVTMMJAQM-UHFFFAOYSA-N;111.1;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38956;MM38956;C#CC(=NO)C(=C)C;MJVYKIRODWPQEC-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38957;MM38957;CNN=CN(C=O)NC=N;KRQGGJBIZISECN-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38958;MM38958;CC(C)ON=CNCCO;PTRQKJJZOIFSIM-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38959;MM38959;CC=NNC(CCO)=NC;YDJINZVTPKCPPM-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38960;MM38960;C#CC(=NO)C(N)=O;PMEGFEVEMSBXLR-UHFFFAOYSA-N;112.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38961;MM38961;C#CC(=NN)C(=O)O;GUTOAPKQEPQSMQ-UHFFFAOYSA-N;112.09;-0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38962;MM38962;C#CC(=NO)C(=O)O;VAAFHIHQOANALH-UHFFFAOYSA-N;113.07;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38963;MM38963;C#CCC=CC(=O)N(C)N;FSFMQIRIWYCOOQ-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38964;MM38964;CCN(C(C)=N)C(N)=O;OBSMFQBQZZGXPF-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38965;MM38965;CNC(C)(C#N)C(C)C#N;RCZAHTLLJHXOKV-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38966;MM38966;CC(C)=C(CO)CO;DYNYKDIWPROIAO-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38967;MM38967;C#CC=CN(C)C=NC=O;SMRHMINYSPLZDU-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38968;MM38968;C#CC=CC(=N)N(C)C=O;JQNIENSHHFLERD-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38969;MM38969;C=NOCC(N)=C(C)C#N;SAZXDDAWEZVRCO-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38970;MM38970;CC(F)=C(CO)CO;OLAHKVDOYZRHQC-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38971;MM38971;OCC(CO)=C(F)F;WMQPBHQREXTZQC-UHFFFAOYSA-N;124.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38972;MM38972;CCC(OC)=C(C)C;UDVREKMDVNBAMJ-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38973;MM38973;C=NOCC(=CC#N)NC;KQXJAPOSAYUIQI-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38974;MM38974;COC(CO)=C(C)C;NGXFEPPQPBFQQW-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38975;MM38975;CC(=N)N(C=O)NCC#N;LSGGOCGXBUADHX-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38976;MM38976;COC(CO)=C(C)F;YUXJEYMJTQWZRX-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38977;MM38977;COC(CO)=C(F)F;JVKLABRJGOOGSS-UHFFFAOYSA-N;124.09;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38978;MM38978;CCC(C=O)=C(C)C;VWCYHOJBVVMPAN-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38979;MM38979;CC(C)=C(C=O)CO;UHHJINAZQGHRAE-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38980;MM38980;CC(C)=C(C#N)CO;GNFRWNFFSVUEEE-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38981;MM38981;CC(C)=C(C=O)CF;IUNHQYVIHDLDMB-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38982;MM38982;CCC(C=O)=C(C)N;HIPUEYVEMUTMOP-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38983;MM38983;CC(N)=C(C=O)CO;OYUYFRMJOVWTKM-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38984;MM38984;NN=CC1CO1;HRKMUOBSOFSNHW-UHFFFAOYSA-N;86.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38985;MM38985;CC(F)=C(C#N)CO;OWKDNHDDNILJDK-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38986;MM38986;N=CNC=NN(C=N)C=N;ADKYYADGSSLVGB-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38987;MM38987;CC=NOCOCC;WXXPIEMZRGYCFU-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38988;MM38988;C=C(CF)CN(N)C=O;GQOKUYNBLVRTLE-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38989;MM38989;N#CC(CO)=C(F)F;MFUXIZWTYVUAJQ-UHFFFAOYSA-N;119.07;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38990;MM38990;C=CC(OC)=C(C)C;OIMCNJCBPXTRIN-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38991;MM38991;COC(C=O)=C(C)C;PBPJKHRCAZHKGK-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38992;MM38992;COC(C=O)=C(C)N;SHPYXXGGXABNSX-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38993;MM38993;C#CC(=C)CN(N)C=O;AUIMBACFMAYNGU-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38994;MM38994;COC(C#N)=C(C)F;CRSOTJIINSYNDM-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38995;MM38995;COC(C=O)=C(N)N;JZKXRZVXBRIRDQ-UHFFFAOYSA-N;116.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38996;MM38996;C=COC(=O)CON=C;WJKFYQDUYSKBFC-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38997;MM38997;COC(C#N)=C(F)F;RSKPBFSEAHUPES-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38998;MM38998;C#CC(CO)=C(C)C;SVHPRJIOCHSSQR-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM38999;MM38999;COC=CNC(=N)C#N;GIIKJQGXKTYSNF-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39000;MM39000;C#CC(CO)=C(C)F;AOUDYSVLENKWQA-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39001;MM39001;C#CC(CO)=C(F)F;MLACJKMBKPKXLI-UHFFFAOYSA-N;118.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39002;MM39002;C#CC(OC)=C(C)C;WDGFBDBJFHIOHX-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39003;MM39003;C#CC(OC)=C(C)F;YFEONZCDMYSSIA-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39004;MM39004;C#CC(OC)=C(F)F;LGRDMCIURRRFAN-UHFFFAOYSA-N;118.08;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39005;MM39005;C=CC(C=O)=C(C)C;HWAJOAALOUDLCY-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39006;MM39006;CC(C)=C(C#N)C#N;NVBHWAQBDJEGEO-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39007;MM39007;C=CC(C=O)=C(C)N;SKRNHPKYKGGREP-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39008;MM39008;CNN=CC=C(C)C#N;MQBISQXHELCZNV-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39009;MM39009;C=CC(C=O)=C(C)F;IGSUCTSDJAYZSW-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39010;MM39010;CC(F)=C(C=O)C=O;VPXXPSYCNSDKRM-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39011;MM39011;CC(F)=C(C#N)C#N;JQHUACZZUIUNLE-UHFFFAOYSA-N;110.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39012;MM39012;CCC(C=CF)=NNC;VQYLAIUEAASSLX-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39013;MM39013;NC(N)=C(C=O)C=O;IZOCQXUWKHMZJL-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39014;MM39014;C=CC(C#N)(CF)NC;NTWDODJEMOLBDY-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39015;MM39015;C#CC(C#N)=C(C)C;JZIPHOJTXLSVMG-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39016;MM39016;C#CC(C=O)=C(C)N;SLXGLBOWZOMUFE-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39017;MM39017;COC=C(C)CN(N)C=O;GOKCRBYBWUZYDX-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39018;MM39018;C#CC(C=O)=C(N)N;SIPOZWIGGMNFGP-UHFFFAOYSA-N;110.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39019;MM39019;C#CC=C(C)CN(N)C=O;TWZLSIXVHDBAFE-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39020;MM39020;C#CC(C#C)=C(C)C;LWBYELBIBGQVGF-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39021;MM39021;CCC1(CC)CC1C;VRAHXXPBEUDBMF-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39022;MM39022;C#CC(=CC)CN(N)C=O;HUBHAKAUWFEGHJ-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39023;MM39023;C=CC=CC(=O)N(N)C=N;ZJKPJRGQVSKKLA-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39024;MM39024;COC=NN=CN=CNN;PYMIDKOIYPGZGH-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39025;MM39025;CCOC=CNC(=N)C#N;CECZGQFIVVEAHW-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39026;MM39026;C=NOC(OC)C(C)=NN;OQKHNSDOZPBWRZ-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39027;MM39027;COCC=NOCC=NN;WOKZOJRAFDADFD-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39028;MM39028;C=CCN(N)C=O;VNTYFBZVENFDPQ-UHFFFAOYSA-N;100.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39029;MM39029;CCC#CC=NN;XAZDYSNQLRQEIK-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39030;MM39030;C=CCNN(C)C=O;SAYPCAISKKJWAW-UHFFFAOYSA-N;114.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39031;MM39031;CC=CCN(N)C=O;NBYBOQJOJHLWPI-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39032;MM39032;C#CCOCC=NN;SSQBZQZQYJLDQJ-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39033;MM39033;CC=NOC(C)(C)OC;VOSGFRSFCLGSJJ-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39034;MM39034;CC(C)=CCN(N)C=O;CKBHVVBLZHZDPE-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39035;MM39035;CC(N)(CF)COC=NO;FJWVFUJVFRAILZ-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39036;MM39036;CCC1(CC)OC1C;BEBFQDLORXWCFR-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39037;MM39037;C#CC=CCN(N)C=O;BXOGGKKUKZHJRI-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39038;MM39038;C=NOC(COC)OC;GUHPDYGYSAHWRX-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39039;MM39039;C#CC(=NC=NOC)NC;ZWJLNYJDLRDHQC-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39040;MM39040;C=CC1(CC)CC1C;CZORYDXSKGRCDB-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39041;MM39041;CCC1(C=O)CC1C;XXDDSHBNXHJPGB-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39042;MM39042;CCC1(C#N)CC1C;ICVXLMFDGQSSKH-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39043;MM39043;C=NNCC(=CF)OC;IONVVNSWICXSCL-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39044;MM39044;C=NNCC=NOC=O;LWLDCBJDIWYCJQ-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39045;MM39045;CCNCC(CC)=NO;SEGXZRYGLVJCIU-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39046;MM39046;C=CC1(CO)CC1O;DNCYEJAVUGDRJO-UHFFFAOYSA-N;114.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39047;MM39047;CC(C)=CCNN(C)C=O;ICBIFGQLJMFFGZ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39048;MM39048;CCON=C(N)C#CC=O;FAKFUUVKXPPBNW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39049;MM39049;C=NOCC(=C)C(=O)C=O;MDIDLHNDDDLKDS-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39050;MM39050;C=CC1(OC)CC1C;RABJBLSDETXZSW-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39051;MM39051;CCOC=CCN(N)C=O;KHADUZXTVDSLOU-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39052;MM39052;C=COC=CCN(N)C=O;SASRAMWIQMIODJ-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39053;MM39053;C=NOC(C=COC)OC;HBWUFVGALUEADQ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39054;MM39054;C=CN(C=NOC)CC#N;CLWUIRISUDFACD-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39055;MM39055;C=NOCC(C=O)=CC=O;MGMNJGUPSIQFTN-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39056;MM39056;CC(=NO)N(N)CC=NO;OZAUCRVLLSODRA-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39057;MM39057;C#CC1(CC)CC1C;RXOIFFNVKDVEKO-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39058;MM39058;CCN(CC)N=CCC#N;CVZPGNDTJJLPFI-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39059;MM39059;C=NN(C=N)C(=N)C#CC;QNTDQLQTMQJRGW-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39060;MM39060;CC=NNCC=NOC=O;GJVSNRDEHWVZAI-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39061;MM39061;C#CC1(CC)OC1C;SZNMZOLIJMCYAD-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39062;MM39062;NN=CCC=CF;FSBZPZXTLLESOM-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39063;MM39063;N=C(NO)OC=NNC=O;IIACYVOXDSQWNY-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39064;MM39064;CCC1(C(C)C)CC1;MFOOFSDSHKQUFD-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39065;MM39065;C=NOCCOC=O;PYQHJBNXLRSVDH-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39066;MM39066;COC1(C(C)C)CC1;YGBGHPKVIHRBQR-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39067;MM39067;C=CC(F)(F)C(=N)NC;JFQFFGHYPUBGBO-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39068;MM39068;C=CC1(C(C)C)CC1;KYNOYZYUSZQLRG-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39069;MM39069;CC(C)C1(C#N)CC1;RBGVSNKHEWLESV-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39070;MM39070;CCC(=O)OCC=NN;OQRXTLCPRHDVNL-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39071;MM39071;C=C(C=NNCC)OC;MWRCYMYVUCCNKH-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39072;MM39072;C#CC1(C(C)C)CC1;IDGZVEYABMOXAR-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39073;MM39073;CN(CC#N)C(=N)C=O;RWSRCXUCDZENPI-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39074;MM39074;O=c1ccn(O)cc1;NCDOCXYTOYFYHI-UHFFFAOYSA-N;111.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39075;MM39075;CN=c1[nH]c(=O)[nH]o1;XGMQWLYUJSFADA-UHFFFAOYSA-N;115.09;-1.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39076;MM39076;NN=c1[nH]c(=O)[nH]o1;JFLCVEJLNRGUTE-UHFFFAOYSA-N;116.08;-1.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39077;MM39077;O=c1[nH]oc(=NO)[nH]1;HRSIIPLQUUSIOY-UHFFFAOYSA-N;117.06;-1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39078;MM39078;CN=c1[nH]oc(=O)o1;ZOCMZSRKOPKAKS-UHFFFAOYSA-N;116.08;-0.91;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39079;MM39079;NN=c1[nH]oc(=O)o1;ZYZYEARTAFAMCP-UHFFFAOYSA-N;117.06;-1.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39080;MM39080;O=c1o[nH]c(=NO)o1;WQXWTCAKYBBSAF-UHFFFAOYSA-N;118.05;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39081;MM39081;N=c1[nH]oc(=NN)o1;KJXPELYHIAIUNG-UHFFFAOYSA-N;116.08;-1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39082;MM39082;N=c1[nH]oc(=NO)o1;QCXUKEHYSWXKLZ-UHFFFAOYSA-N;117.06;-1.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39083;MM39083;NN=c1o[nH]c(=O)o1;CQTMPDDOURPKSY-UHFFFAOYSA-N;117.06;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39084;MM39084;O=c1[nH]oc(=NO)o1;QJEVOQVAWHPNNM-UHFFFAOYSA-N;118.05;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39085;MM39085;C#CC(C#C)N(N)C=NO;HZXJBOYQSUHCSM-UHFFFAOYSA-N;137.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39086;MM39086;Cc1coc(=NO)o1;PJWQDFWYRNDFBH-UHFFFAOYSA-N;115.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39087;MM39087;CCCC(CN)=NO;IQLJNNLYWGOIEG-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39088;MM39088;Nc1coc(=NO)o1;OBDKYILWHYAALX-UHFFFAOYSA-N;116.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39089;MM39089;NN=c1occ(O)o1;ZFWKSVLTXHYNBW-UHFFFAOYSA-N;116.08;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39090;MM39090;ON=c1occ(O)o1;UWSKVVHBWFWHPR-UHFFFAOYSA-N;117.06;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39091;MM39091;NN=c1occ(F)o1;JFLLKNAQAVNDFB-UHFFFAOYSA-N;118.07;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39092;MM39092;ON=c1occ(F)o1;QAUVCQZBQFWRMD-UHFFFAOYSA-N;119.05;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39093;MM39093;C=C(NC=O)NC=NOC;STWIOZOLPDOHFC-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39094;MM39094;CCNN=C(C)N(O)C=N;JQTQGTNHERGVLI-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39095;MM39095;Nc1noc(=NO)o1;QCXUKEHYSWXKLZ-UHFFFAOYSA-N;117.06;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39096;MM39096;NN=c1onc(O)o1;CQTMPDDOURPKSY-UHFFFAOYSA-N;117.06;-1.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39097;MM39097;ON=c1onc(O)o1;QJEVOQVAWHPNNM-UHFFFAOYSA-N;118.05;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39098;MM39098;NN=c1onc(F)o1;PQIZSVDRIIAEJN-UHFFFAOYSA-N;119.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39099;MM39099;ON=c1onc(F)o1;ADWOMTPXIAQPIX-UHFFFAOYSA-N;120.04;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39100;MM39100;CCc1coc(=O)o1;IXIDQWJXRMPFRX-UHFFFAOYSA-N;114.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39101;MM39101;C=CC(C)=NN(C)CC#N;MKLDQCBJOOOBCS-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39102;MM39102;CCc1noc(=O)o1;RGRWFCGFNCCKDX-UHFFFAOYSA-N;115.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39103;MM39103;CC(C)=CC(=O)N(N)C=N;MZENZDBTHZYSRP-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39104;MM39104;O=c1onc(CO)o1;BNUXBWQJMIIVFC-UHFFFAOYSA-N;117.06;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39105;MM39105;O=c1onc(CF)o1;CYUKLSTZEMVBDF-UHFFFAOYSA-N;119.05;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39106;MM39106;N=C(CO)NN=CCCO;UXAFFRKXPGKITE-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39107;MM39107;COc1noc(=O)o1;UBFVDQPKLPHULU-UHFFFAOYSA-N;117.06;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39108;MM39108;C=Cc1coc(=O)o1;CANNDADZLNCIIA-UHFFFAOYSA-N;112.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39109;MM39109;O=Cc1coc(=O)o1;PUXXCZRKZIINSR-UHFFFAOYSA-N;114.06;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39110;MM39110;N#Cc1coc(=O)o1;QPYPOMASAMFEHB-UHFFFAOYSA-N;111.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39111;MM39111;CCCC(=O)N(N)C(C)=N;VHIIOEUXMZUGGE-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39112;MM39112;O=Cc1noc(=O)o1;FGHRWTVDEGRTPK-UHFFFAOYSA-N;115.04;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39113;MM39113;N#Cc1noc(=O)o1;XORGDUAAPCTSAF-UHFFFAOYSA-N;112.04;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39114;MM39114;C#Cc1coc(=O)o1;AIKQAUOFONMFIE-UHFFFAOYSA-N;110.07;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39115;MM39115;C#Cc1noc(=O)o1;RVQZORMOLBJSLX-UHFFFAOYSA-N;111.06;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39116;MM39116;O=c1nc(CF)o[nH]1;LJOPOGJWJYZDMH-UHFFFAOYSA-N;118.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39117;MM39117;N=c1nc(C=O)o[nH]1;UJIVYERMPVZRFG-UHFFFAOYSA-N;113.08;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39118;MM39118;N#Cc1nc(=N)[nH]o1;YIPQFMJJSGFKSC-UHFFFAOYSA-N;110.08;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39119;MM39119;C=NN(C)C(CC)=NC=O;CGVAVBQVCABFQX-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39120;MM39120;C=NNCC(CF)=NOC;FYYYEZVEXCBYAQ-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39121;MM39121;C=NOCC(C#N)=C(C)N;PJLWORWLKNZIRI-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39122;MM39122;CNN(C=O)C(C)=NOC;QKZGBTZGILSMOS-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39123;MM39123;C#CC(C=C)=NN;PTHRNKSHGVQXDD-UHFFFAOYSA-N;94.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39124;MM39124;C=NOCON=C;MTLHJFCIZBWNIQ-UHFFFAOYSA-N;102.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39125;MM39125;C#CC(=O)N(C)C=N;FYQVLOGJSYUCFQ-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39126;MM39126;CC=NNC(=N)CO;FWYPWRFRQOCDHL-UHFFFAOYSA-N;115.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39127;MM39127;C=NN(C)C=NOC;IBGMVKBCQGYTLL-UHFFFAOYSA-N;115.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39128;MM39128;C=CC(CF)=NNC;UWDKBKKPAKKZBG-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39129;MM39129;CON=C(N)C#CC=O;DTBGMHKOEPVOSJ-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39130;MM39130;CN(C)N(C)C(=N)C#N;KVUREXZZFBUOOO-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39131;MM39131;C=NNCCOC=CF;SCPKXYKRZNHINM-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39132;MM39132;OCCOCCCF;DFUBQNCXLYYGQI-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39133;MM39133;CCCCOCOC;INMMGKHASIHGGZ-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39134;MM39134;COCOCCCF;DOJVUMWVMNPBAL-UHFFFAOYSA-N;122.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39135;MM39135;COCCOCCO;SBASXUCJHJRPEV-UHFFFAOYSA-N;120.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39136;MM39136;CCOCOCOC;RJOUSXNXLODHFM-UHFFFAOYSA-N;120.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39137;MM39137;CCC=NNC(=N)CO;XCKGQAOWUDAPMC-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39138;MM39138;C#CCOCC=NN(C)C;PQGUAJPVPBKKBX-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39139;MM39139;COCCCCC#N;VPPYODAEJXNXEH-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39140;MM39140;C=NOC(C=NN)OCC;NWPSQKPJIRGVSM-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39141;MM39141;N=C(CO)NN=CCCF;GOTWASKVEUYPGV-UHFFFAOYSA-N;147.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39142;MM39142;C=C(OC)C(=O)N(N)CC;YHSAZICTQJSDAK-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39143;MM39143;CN(C=CC#N)C(=N)C#N;WHFNBQLSFDYUOR-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39144;MM39144;COCC(CF)NCC#N;ZLFSILOBVUHGEF-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39145;MM39145;C#CC(CNN=C)OC=O;UIYGBRYAZJIYCQ-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39146;MM39146;C=CCNN(C=C)C(C)=O;VAUBEYUUGIQLAT-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39147;MM39147;N#CCCCN(C=N)C=O;LSGIAFQEDFUPJZ-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39148;MM39148;COCCCOC=O;XZGHPJWDJDHITH-UHFFFAOYSA-N;118.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39149;MM39149;C#CC=NNCC=C;SXEZUDQFXRXKNT-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39150;MM39150;C=NOC(C)OCOC;NHWUNTMNIAMCBW-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39151;MM39151;CCNN(C=O)C=CF;JUQBREJLGSYDML-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39152;MM39152;CC(=O)N(N)C(=N)C(C)C;KFXQEWZWALIRFX-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39153;MM39153;CN(C)C(C=CF)=NC=O;RRHKOXYCAFGFNX-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39154;MM39154;CCC=CC(=O)N(N)C=N;IBYMTSAVNUSFLK-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39155;MM39155;C#CC(=N)N(C=N)N=CC;WDLDVALNICWJGR-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39156;MM39156;C=COCC(OC)ON=C;ZOCYTAMGAVLNFB-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39157;MM39157;N=C(NO)OC=NN;HBIWXOJGAWBALF-UHFFFAOYSA-N;118.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39158;MM39158;COC(C=CN)=NOC=O;QADKBNPZWOXRDM-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39159;MM39159;CNN(C=N)C=O;WZRSVMRAKGNBKS-UHFFFAOYSA-N;101.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39160;MM39160;CCCN(C=N)C=O;VAVHREINDUJICU-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39161;MM39161;C#CCC(=O)N(N)CC;QGESDSQSZKZYBM-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39162;MM39162;CC=CC(=O)N(N)C=N;GFPACBFSPHMLHM-UHFFFAOYSA-N;127.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39163;MM39163;C#CCN(CCF)N=C;BANXUYHGASPMBC-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39164;MM39164;C=CCOCCCO;JTWOSPUWOVJQHH-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39165;MM39165;N#CCOCCCO;OSYMNBSCAUAUMH-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39166;MM39166;O=CCOCCCF;PIFGQWFWNVWVKO-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39167;MM39167;C#CC(=NC=O)N(C)C;JPJQUCGGHOTXCX-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39168;MM39168;CCCCN(C=N)C=O;NYKPEISTMWVCOZ-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39169;MM39169;COCCOCC=O;KEAGYJMKALOSDP-UHFFFAOYSA-N;118.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39170;MM39170;COCCOCC#N;KCHALGCHIHJRFX-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39171;MM39171;CCOCOCC=O;KTRCDOAFABEGON-UHFFFAOYSA-N;118.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39172;MM39172;CCOCOCC#N;IJIZXKDONYUMSH-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39173;MM39173;CNC(C#N)C(C)(C)C#N;WVZMZYDDKOSHIF-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39174;MM39174;CC=NN(C=NC)C=NC;DTPBQYHZZUXGAX-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39175;MM39175;CNN=COC(=N)NO;XOYVUPOKDBBASH-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39176;MM39176;CCCOCCC#N;RBCSSAWYWYRREH-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39177;MM39177;C=NN=CN(C)N=C;UIUJJDBOUNDPDL-UHFFFAOYSA-N;112.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39178;MM39178;C=CCCOCCO;OMPLKIMQQZQBRB-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39179;MM39179;O=CCCOCCO;GNSPBEKHJNYOTG-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39180;MM39180;N#CCCOCCO;QNCFKOUSIIQMMI-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39181;MM39181;O=CCCOCCF;ALQCCKAQCJJQAD-UHFFFAOYSA-N;120.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39182;MM39182;N#CCCOCCF;NTBYEBVGKXKYSB-UHFFFAOYSA-N;117.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39183;MM39183;C=CCCOCOC;XAYQGCCKMYHLLJ-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39184;MM39184;COCOCCC#N;MUVWMUZOKVFLMD-UHFFFAOYSA-N;115.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39185;MM39185;C=COCOCCO;RJHNXFVGWYCBIL-UHFFFAOYSA-N;118.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39186;MM39186;C=NOCON=CC;WGZPBDIPKRSRQZ-UHFFFAOYSA-N;116.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39187;MM39187;CCNN=CC(C)=CF;VCRFBPWYAMAUJT-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39188;MM39188;C=COCOCOC;KCLBEIPIICEKFO-UHFFFAOYSA-N;118.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39189;MM39189;COCOCOC=O;DFDOQCIGYYREEI-UHFFFAOYSA-N;120.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39190;MM39190;C#CCN(C)C(=N)C#N;YADAGGQQCYIVRL-UHFFFAOYSA-N;121.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39191;MM39191;C#CCCCCCC;UMIPWJGWASORKV-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39192;MM39192;CCC(C=NNC)=CF;UHCSAGFDUXACEK-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39193;MM39193;C#CCOCCCO;VSVSRNTZDSTNLP-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39194;MM39194;C#CCOCCOC;QBAUXHLFPCHTQH-UHFFFAOYSA-N;114.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39195;MM39195;C#CCOCOCC;FTVVWLFGARTOHD-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39196;MM39196;COC(C)CN(N)C(C)=O;XEVLQATZIYXGGN-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39197;MM39197;N#CCCCCC#N;BTGRAWJCKBQKAO-UHFFFAOYSA-N;108.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39198;MM39198;CCOCCN(N)C(C)=O;KQFDQTWCAIBCRQ-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39199;MM39199;N#CCCCNC=O;OTNWQADCUFHGOP-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39200;MM39200;CC#CCN(C)N=CNO;YMEVDFBTWQUVLW-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39201;MM39201;O=CCCCOC=O;UKPITNRCHYHHFN-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39202;MM39202;N#CCCCOC=O;WVUAOHOTXMRHNN-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39203;MM39203;C=C(N=CNO)C(=O)CC;OEMYAZYAFFLCRA-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39204;MM39204;C=COCCN(N)C(C)=O;PYMDHOYNDZECKH-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39205;MM39205;C=NN(C)C=C(C=O)OC;ABEVJTCLGQBHHP-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39206;MM39206;CN(C=N)C(=O)CCC#N;JHIWGLOSKCYZTJ-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39207;MM39207;CCOC=CN=C(N)C=O;WKYZBXSDWWZPQZ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39208;MM39208;O=COCCOC=O;IKCQWKJZLSDDSS-UHFFFAOYSA-N;118.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39209;MM39209;C=NNCC(CC#N)OC;KVPJFKXZISYRSR-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39210;MM39210;C=NOC(=NN)NC=N;XVPGMTIAPZUEJM-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39211;MM39211;C=C(F)CC(C)=NNC;AGOLHFSOEAFDDZ-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39212;MM39212;CN(C)N=CCCC#N;QIAGYABSDHNROS-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39213;MM39213;N#CCCNNC=O;ABTWRAQYXDSWBY-UHFFFAOYSA-N;113.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39214;MM39214;C=CCCOCC=O;ZEKYRMQWNPZPGM-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39215;MM39215;C=CCOCCC=O;SNWWCBGKESDYKE-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39216;MM39216;C=CCOCCC#N;IXXSWIVBWMKRHZ-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39217;MM39217;N#CCCOCC=O;XBTXMENILWULCI-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39218;MM39218;C=CCCONC=O;PKWPBCZBRICRQK-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39219;MM39219;N#CCCONC=O;ZYBNRKDZSKBUQN-UHFFFAOYSA-N;114.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39220;MM39220;C=COCOCC#N;IBJJBHSFOCGWBC-UHFFFAOYSA-N;113.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39221;MM39221;C#CC(C)N(N)C(C)=O;ZXWAINQZOLYIBI-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39222;MM39222;C#CC(=N)N(C=N)N=C;PIDFMHFMBYPBQZ-UHFFFAOYSA-N;122.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39223;MM39223;C#CCOCC=NNC;DNGIDDROSYZCOV-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39224;MM39224;C=COCONC=O;KRNNPBIMMKFINO-UHFFFAOYSA-N;117.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39225;MM39225;CNN=CC=COC=O;HHMUEDNSQJYMLQ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39226;MM39226;C#CC(C)CN(N)C(C)=O;GGGBTXSROIIGDK-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39227;MM39227;C#CCOCCC=O;ACFCJNZSJSCCHG-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39228;MM39228;C#CCOCCC#N;CRUYGVGJZNUPRI-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39229;MM39229;C#CCOCOC=C;LAPWVXJFAMLKGH-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39230;MM39230;C=C(C)C=NN(C)CC#N;HLZFPOHPGIFRJA-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39231;MM39231;C=C(C#N)CC=NN(C)C;VIJUCZNAOPOZMW-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39232;MM39232;C#CC(N)C=CCC=NO;CQKZRFUNKXGLMQ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39233;MM39233;CC(C)CC(=O)N(C)C=N;JMNJRUMZLXSUPX-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39234;MM39234;ON=CCCCCF;ASPWIYIZOBTADM-UHFFFAOYSA-N;119.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39235;MM39235;CCOCC(C)N(N)C=O;UXWNGWLCSIFKMP-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39236;MM39236;CCC(COC)N(N)C=O;SBKJEQWVANGDDE-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39237;MM39237;CNN=CCC(C#N)=CN;GEGXUIPAIVYJSJ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39238;MM39238;C=C(C=NN)OC;WKRAJEZOWIQVEV-UHFFFAOYSA-N;100.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39239;MM39239;CCN(N)C(C)=O;SOHGTZGWMYZGGJ-UHFFFAOYSA-N;102.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39240;MM39240;C#CCN(C)C(C#C)=NN;YMDKRGSRVWDJSZ-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39241;MM39241;C=C(F)CC=NNC;FQQPVJIYUNKVPU-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39242;MM39242;CCCN(N)C(C)=O;TUBGMXAEDIMWSU-UHFFFAOYSA-N;116.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39243;MM39243;C#CC(C)N(N)C=NN;UZTKHMZGRHTIAR-UHFFFAOYSA-N;126.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39244;MM39244;CCC(=O)N(N)CC;WVMQOTCZRIZJRE-UHFFFAOYSA-N;116.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39245;MM39245;CC(=O)N(N)CC(C)C;BWKHYKCGAHFEHK-UHFFFAOYSA-N;130.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39246;MM39246;ON=COCCCF;ROOSSHJYNNNNRC-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39247;MM39247;C=C(F)CN(N)C(C)=O;XVUJFDFCMWXHLA-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39248;MM39248;C#CC(=NC=NCC)NN;AWUWLMYRILATBG-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39249;MM39249;COCCOC=NO;LFPQLBKMMHQRPK-UHFFFAOYSA-N;119.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39250;MM39250;CCCCN(N)C(C)=O;FSFNYYBWKGVUPK-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39251;MM39251;CC(=O)N(N)CCCF;AJVASLHYRRVFHT-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39252;MM39252;C=CCCN(N)C(C)=O;KWTKBGBXZDVXAS-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39253;MM39253;CCOCOC=NO;NDONQIFEAQYXDA-UHFFFAOYSA-N;119.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39254;MM39254;CCCC(=O)N(N)CC;RSXFWCRMMUBOIP-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39255;MM39255;C=CC(CNCC)=NO;RZAVEVPYRRWXDY-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39256;MM39256;C=NOCOCOCC;POOWXIOBYQJPDI-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39257;MM39257;C#CC(=C)C(C=NN)=NN;CZUIGKTWZZUOTN-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39258;MM39258;CC(F)C(N)C=CC=NO;LJDLEFLUPLTODP-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39259;MM39259;N=C(N)C(=O)C(=N)N;ITVGDUVMGKNPPK-UHFFFAOYSA-N;114.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39260;MM39260;C#CC(N)C=CC=NO;DZULTNUNVNHOMM-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39261;MM39261;C=NOC(C)(COC)OC;HBCLUURLQOFFPV-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39262;MM39262;CC(=O)N(N)CCC(C)F;FPHSUKLAJCRGKY-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39263;MM39263;COCOCC=CF;LQDVBUWKWBDAQG-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39264;MM39264;COCOCC=NO;FNEVUFFLEUPYBL-UHFFFAOYSA-N;119.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39265;MM39265;CNN=CCN(C)CC#N;HECSFVSDOAVWCB-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39266;MM39266;C#CCC(=O)N(N)CC=C;DSHZHZUENOLWAY-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39267;MM39267;C=CC(C)N(C=O)C(C)=N;LUBSENFKANOQEQ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39268;MM39268;C#CC=NOCCNN=C;BXCXZEQKLXMSIH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39269;MM39269;C=NNC(=N)C(C)(C)OC;UXFUBKYXTYFRBD-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39270;MM39270;C=NNC(=NO)NC(C)=N;INECKWPCHZUPBW-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39271;MM39271;N#CCCCC=NO;IOWJVHNYBAPCKF-UHFFFAOYSA-N;112.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39272;MM39272;CC(C)N(N)C=O;PNBXRMFPSYNAPV-UHFFFAOYSA-N;102.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39273;MM39273;C=CCNC(C=O)C=O;ITMZEGPPJKLSNH-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39274;MM39274;CCC(C)N(N)C=O;RPYUVPGYWNCECN-UHFFFAOYSA-N;116.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39275;MM39275;O=COCCC=NO;BIUKBJBYMFELFK-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39276;MM39276;CCC#CC=NNC;UNDPJNLGONXSQC-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39277;MM39277;C=NOCCC=NO;CPORYNVNYRQZAO-UHFFFAOYSA-N;116.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39278;MM39278;CCNC(=NCC#N)OC;NXSZSBYCPBLEOB-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39279;MM39279;CNC(=NO)NOC;DBLHOGWETVDXAW-UHFFFAOYSA-N;119.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39280;MM39280;C=NNC(=N)C(O)CCC;JXIBBIVYVRKBSW-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39281;MM39281;O=CCCOC=CF;SQLQHELHLAJDSA-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39282;MM39282;O=CCCOC=NO;YOHQNPXZEARSIG-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39283;MM39283;N#CCCOC=NO;WVZGHNNHMFSFJG-UHFFFAOYSA-N;114.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39284;MM39284;COCC(C)=NN(C)C;DZALEQAHWOWGHY-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39285;MM39285;C=NNC(=N)C(O)CC;CFSLSMKUPFXQEP-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39286;MM39286;C=COCOC=NO;GNWGLCQXQVJKFO-UHFFFAOYSA-N;117.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39287;MM39287;C=C(C)C(=O)N(N)CC;IWSKECINYHEZMS-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39288;MM39288;C=CC(=NC=O)N(O)C=N;QSUJNMMPVJSHRM-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39289;MM39289;C=NOCOC=NO;AURSYFHHHFFZHV-UHFFFAOYSA-N;118.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39290;MM39290;C=NN(C)C(C)=NOC;CTRZYPFWAZLJCL-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39291;MM39291;C=CC(CF)N(N)C=O;OLQXWENPXNTAKP-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39292;MM39292;C=NOCOCCOC;QHCLEORVQBCTLN-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39293;MM39293;CNN=CCNCC#N;SHNHLNMEQZFADH-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39294;MM39294;C=C(CN(N)C(C)=O)OC;HCXISKHKNCVEJE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39295;MM39295;C=NOC(=O)CN(C)N=C;IMANYNJSDSAQPL-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39296;MM39296;CC(C)=NNC(=N)C(C)O;RCOSAOWKTMVPKT-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39297;MM39297;C#CC(C#C)N(O)C(C)=N;JCSNEAGNWRUQLU-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39298;MM39298;N#CCNNC=NO;MMJAEUSLVDZLMP-UHFFFAOYSA-N;114.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39299;MM39299;C=CCOCC=NO;VRMMXNJXFCUFON-UHFFFAOYSA-N;115.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39300;MM39300;CNN=CCC(N)=CC#N;PUJDUHWSCCQJKW-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39301;MM39301;C=CCC=NNC(=N)CO;UBJFCTVFSICNLN-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39302;MM39302;N#CCONC=NO;MKWQIRYDLLCFIX-UHFFFAOYSA-N;115.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39303;MM39303;N=CN(O)C(C=NN)=CF;LNOYCOUAWUIGMT-UHFFFAOYSA-N;146.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39304;MM39304;C=CCN(C(C)=N)C(C)=O;RIRUSISZYJABFT-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39305;MM39305;C#CCCOC=NO;YCIJYAJRDAKABL-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39306;MM39306;CC(CCCF)N(N)C=O;QIIJKGKHMHQKKZ-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39307;MM39307;C#CCOCC=NO;CGERFNONFZGLBO-UHFFFAOYSA-N;113.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39308;MM39308;CCN(N)C(=O)C=COC;NKVJZYCPWHPLFA-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39309;MM39309;CC=NOCC(OC)OC;WQSSFPMZAUGYAR-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39310;MM39310;CNC(=NOC)NO;DBLHOGWETVDXAW-UHFFFAOYSA-N;119.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39311;MM39311;CC#CCOCCC;PRBFQHGQBCXYIK-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39312;MM39312;C=CC(=O)N(N)CC;WOXUZKZUDBCACC-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39313;MM39313;NCC#CC=NNC(N)=O;VRIPPNXGVCUYPQ-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39314;MM39314;CCCON=C(NC)NO;BZPYVFOYSOTVAP-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39315;MM39315;C=NN(C)CCC#N;COWDZVPWSKCGAP-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39316;MM39316;CC#CCONC=O;AISXNYSKDIEAHA-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39317;MM39317;ON=CCCC=CF;QZMOGWPWZJEYIG-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39318;MM39318;CN(C)C=NC(=O)C#N;QGQMFPZRPUUKSI-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39319;MM39319;N=C(N)C(=O)CC=CC=O;DCSAOQFSRZJYGF-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39320;MM39320;ON=CCCC=NO;SVENZWQXLIIAMN-UHFFFAOYSA-N;116.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39321;MM39321;CCNN=CC=C(C)F;WGGAGUMKWIUAIW-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39322;MM39322;CC=NN(C)CCC#N;ZKCYJISTEGHGTP-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39323;MM39323;CC=NNCC=NO;QGQCXNQTVQBDPW-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39324;MM39324;CNN=CC(C)CC#N;BTKHDNQCUBTSKN-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39325;MM39325;N=C(N)C(=O)CC=CF;UPFGASCWDHBHEA-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39326;MM39326;CCC=C(C=O)N=CNO;JWVVOOQDJSFOAX-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39327;MM39327;CC#CCOC=NO;JMTJNGFPEYRBAZ-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39328;MM39328;CN(C)C(=N)C(=O)C#N;KUJRGGLJGHAXOB-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39329;MM39329;CC(=O)NN=CC#CCN;ZNZIHVDRRILRCH-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39330;MM39330;C#CC=CCC(=O)C(=N)N;PPSKADXJKPMXOJ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39331;MM39331;OCC=CCCCO;RDYAMHIAJLBLIF-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39332;MM39332;C=CCN(N)C(=O)CC;NARGKIDYIWFKQG-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39333;MM39333;C=C(CC)CC(=O)C(=N)N;VOJFDJKRCNOQBV-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39334;MM39334;COCC(C=NN)CF;XVSDFYYKCWFTRQ-UHFFFAOYSA-N;134.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39335;MM39335;C=NN(C)CC(C)(F)C=O;JEPWRHQLJCKTLU-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39336;MM39336;C=C(C=NN(C)C)CC#N;QSAZWUNDBZDCAQ-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39337;MM39337;C=CC(=O)N(N)CCCF;NSVHJIVNXGOECU-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39338;MM39338;N=C(N)N(C=O)C=O;OXDHOGDBKBQDJJ-UHFFFAOYSA-N;115.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39339;MM39339;C#CC(CCF)NN=CC;TUJWCJBNECDHGH-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39340;MM39340;C#CC(C=NNC)ON=C;QJZRYFMXDLDIIV-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39341;MM39341;C=NOCC(=NOC)OC;JHKMDUVMROIINM-UHFFFAOYSA-N;146.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39342;MM39342;C#CCNC(CF)C(C)=O;PQNAVZUOVVLVAP-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39343;MM39343;C=NN=C(CON=C)OC;RZINFHZOOKMAFZ-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39344;MM39344;C=CC(=C)N(C=O)C(C)=N;CYPJAAGTSMXJNM-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39345;MM39345;CC=NOC(=NN)NC=N;QBUSTINSLUVCCZ-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39346;MM39346;CC=C(C)NC(=NN)OC;YGQAGWRALYSOTF-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39347;MM39347;OCC=COCCO;YWFRVAYBMQEQKA-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39348;MM39348;OCCOC=CCF;DFXDEHUSCPOFSB-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39349;MM39349;CNN=CC=C(C=O)OC;MJQLKILHGAETGV-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39350;MM39350;OCC=COCCF;MADNQQUGYDYJOG-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39351;MM39351;C#CCON=C;CWXYKIVBKLXVDA-UHFFFAOYSA-N;83.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39352;MM39352;COC=COCCO;GFDOWRUNAZFKEL-UHFFFAOYSA-N;118.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39353;MM39353;COCOC=CCO;WTTJPGLNKRTMHC-UHFFFAOYSA-N;118.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39354;MM39354;COCOC=CCF;PFTQIVSYSFNMKP-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39355;MM39355;COC=COCOC;DBBVIRKRYNUEEK-UHFFFAOYSA-N;118.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39356;MM39356;COCC(=NN)NC=CF;ANSVJSMXCKPLKS-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39357;MM39357;CC(CC#N)C(=O)C(=N)N;MKGIPSPIMHKKPF-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39358;MM39358;C=NNCC(=C)F;GVVNVTSYZKPAKM-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39359;MM39359;CNCC(=O)ON=CC#N;HFLJWGZVPATPGA-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39360;MM39360;C=CCN(N)C(C)=O;PGYJMCIMUZNCTD-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39361;MM39361;C=C(C=O)C=NN(C)C;PQRGEIJXYRLFDU-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39362;MM39362;CCC#CC(=NO)NNC;GAOYHUIOUIHQIE-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39363;MM39363;CC(=CC=NN)OC=O;PZLYVKZVLSAENF-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39364;MM39364;NCC#CC=NNC=O;OASSLXIBLWGZIY-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39365;MM39365;CNCC(C#CCO)=CF;JJGNOTGJUJMWEK-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39366;MM39366;CC#CC(O)CC(F)CN;SKIDKKLRYSBPJJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39367;MM39367;CC(=O)N(N)CC=CF;DVVFFAJAHPGJAH-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39368;MM39368;CC=NN(C=N)CC#N;DIEQZBUFRIOSJQ-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39369;MM39369;CNC(CC#N)C(F)C=O;ZTJVQUUVLDOLGZ-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39370;MM39370;C=NN(C=NC)C=NC;HQYNWJLIWOAJOA-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39371;MM39371;C#CC(CC=NN)=NN;BVRBPXGRHOOJIK-UHFFFAOYSA-N;124.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39372;MM39372;NN=CC#CCC=NN;OPIHYNVVMFURPZ-UHFFFAOYSA-N;124.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39373;MM39373;CC(=O)N(N)CC(C)=CF;JPJUVYGHWNUKSS-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39374;MM39374;C#CC(C)C(O)C(N)C#C;VHADMCQZAZSPGX-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39375;MM39375;C=NOCOCOC(=C)C;NTZMUVZYITZCQA-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39376;MM39376;C#CC#CC(=N)N(O)C=N;YIBDOFQGSXSNSI-UHFFFAOYSA-N;135.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39377;MM39377;C#CCC=NNC(=N)CO;KUMWYAOGIIQSLJ-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39378;MM39378;CNN=CC(CO)=NNC;UJSHIFUETBITCU-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39379;MM39379;C=NOCOC(=C)COC;BNHIPRXXKBWETI-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39380;MM39380;COC=CCN(N)C(C)=O;DBYMRDIZVIITGO-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39381;MM39381;C=NN=COC(=N)NO;ZGBKSXZRMRJJHV-UHFFFAOYSA-N;130.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(propylhydrazinylidene)acetonitrile;MM03055;CCCNN=CC#N;DKQBAZKOTADQBW-UHFFFAOYSA-N;111.15;0.5;130648915;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39382;MM39382;C#CCOC(C)C=NNC;FXSUPEBZLKUVMT-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39383;MM39383;C#CC(=NCCO)N(C)O;UBXHCHOYDPRLOB-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39384;MM39384;N#CC=NNCCO;NYXRKFAJXYAVIU-UHFFFAOYSA-N;113.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39385;MM39385;N#CC=NNCCF;LWNKCXWFFXQRIE-UHFFFAOYSA-N;115.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39386;MM39386;C#CC#CC(=O)N(C)NC;MCUPUADQRPARBF-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39387;MM39387;C=CC=COCCO;TWZFCOAMMVRNJI-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39388;MM39388;N#CC=COCCO;BFKJVGCOXOKXNS-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39389;MM39389;COCOC=CC#N;CYYVEUARMQKIME-UHFFFAOYSA-N;113.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39390;MM39390;C#CCC(C=C)N(N)C=O;GMCJHTIWXQNFQB-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39391;MM39391;C=NN=COCCO;XFHQMVWQKMVQQF-UHFFFAOYSA-N;116.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39392;MM39392;CCC=NN(C=N)CC#N;XZMQNRDNWUMTRF-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02778;MM02778;CCCON=CC#N;UHCQCHCTDUALQV-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39393;MM39393;C=NN(C(=N)OC)C(C)C;AOPUHSZQYOUIGR-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39394;MM39394;C=CC(=NC(C)=N)N(C)O;JHTFNPAJAMHGFD-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39395;MM39395;N#CC=NOCCO;MSXPKUQBQOULTR-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15926;MM15926;N#CC=NOCCF;OVICGPOLAZJAED-UHFFFAOYSA-N;116.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39396;MM39396;C=NOCCC(C#N)=CN;ZLLNGIRACSBQFB-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39397;MM39397;COCON=CC#N;PGXGMFSSNFTOTR-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39398;MM39398;C=COCCOCON=C;KBDNJZXCGBZECD-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39399;MM39399;C=NOCOCC=COC;IHDFZUJUBCKSBN-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39400;MM39400;CCN(C=N)C=O;HYYCOWOFVXBUGR-UHFFFAOYSA-N;100.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39401;MM39401;C#CC=COCCO;WASCILPMXXFRCC-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39402;MM39402;C=CC(C)N(N)C=O;JHKLEKDJUWBAEH-UHFFFAOYSA-N;114.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39403;MM39403;CNN=C(C=C(N)N)NO;BRRZSXXDCNHKQE-UHFFFAOYSA-N;145.17;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39404;MM39404;C#CC(C=C)=NNC;KYXLUAUUVASYLK-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39405;MM39405;C=NN(C)C(C)(C)C#N;IKUVOVZEKJTXGN-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39406;MM39406;CNCC(C)(F)CO;QSQPGFGVNSSEPK-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39407;MM39407;CN(C=NC=N)OC=O;AKDCZQAQCVWRBF-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39408;MM39408;O=CNCC=CCF;XATFHYALRVGGBW-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39409;MM39409;CN(CC#N)N=CNO;FAXVLWYVVBWHAQ-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39410;MM39410;C=NN(C=N)C(=C)C#N;DDIKQEXTGBTYCZ-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39411;MM39411;C=NNC(CC(C)O)=NC;XYDGXAQAYBLCKV-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39412;MM39412;CC(C)CC(=N)N(N)C=O;MDNZAMDGJQTDFF-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39413;MM39413;C=NOCOC(=C)C=NN;FISMTEXVOSUPIJ-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39414;MM39414;C=NOC(COC)OCC;XEJXFSBTCXYEGA-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39415;MM39415;COC(C)CNN(C)C=O;XMWLGIMWFITFNU-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39416;MM39416;CC(C=CCF)N(N)C=O;FFFKUQJJEPEDHH-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39417;MM39417;CN=CN(OC)C(=N)C#N;BNOJSUURNNBFPM-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39418;MM39418;C=NOC(COCC)OC;LMSSDKAVHIMICS-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39419;MM39419;CCNN(C=N)C=O;UQFLPEWUDAEXJA-UHFFFAOYSA-N;115.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39420;MM39420;CNN=CCC(C)C#N;ZTDAPHBVDHYMFP-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39421;MM39421;C=CC(=C)CC(=O)C(=N)N;MNQQUZKFFSTLDS-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39422;MM39422;C#CC=NNC(C)C=C;GUYVZHFCLZXSDD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39423;MM39423;C=CCNC(=NNC)OC;BRKPYJFTISTZIZ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39424;MM39424;CCONC(=N)C(C)O;NOWLQVOKOXTACN-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39425;MM39425;C=CCN(N)C(=O)C=C;ZQJKJYMOPQYRCJ-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39426;MM39426;C=NN(CC#N)C(C)C;ZCLYKTZHNRLUCA-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39427;MM39427;CCC(NC)=C(C)C#N;IIYZBDDJGPGHPP-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39428;MM39428;CNN=CN(N)C=COC;SCDLXTYJENKBKR-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39429;MM39429;C=CN(N)C(C#CC)=NN;CORGJPSUJBXOEX-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39430;MM39430;C#CCNC(C#C)=NN;YASRTGZBGFBPRK-UHFFFAOYSA-N;121.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39431;MM39431;C#CC(NCC=O)C(C)F;WWDJQNKLDYXPMD-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39432;MM39432;C=CC(CF)=NNCC;KSIZJRUDTSRVCE-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39433;MM39433;COC=COCC=O;HTVPAMWGWMGEOD-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39434;MM39434;COC=COCC#N;VVWPZMBDIIIELE-UHFFFAOYSA-N;113.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39435;MM39435;CON(C=N)C=NC=NN;IJNUGOLYZLFRNB-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39436;MM39436;N=CNC(C=O)=C(F)F;IXQZRBPWCRNIGF-UHFFFAOYSA-N;134.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39437;MM39437;C#CC=NNCC=NN;XOXJVHAKATUXCI-UHFFFAOYSA-N;124.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39438;MM39438;CNN=C(C(C)O)N(C)C;RHYZHRZBFXZYDR-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39439;MM39439;CNN=CONC=O;OIVGORHCLWRKKI-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39440;MM39440;CCNN=CCCC#N;HVQTUSLEMKKPON-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39441;MM39441;CNN=CC=CCC#N;XCCTXUGSFHEHCY-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39442;MM39442;C=NNC(=N)C(C)OC;KSZNFTBKFWSUIO-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39443;MM39443;CC(=O)N=CN(C=N)C=N;LWGYUAURTFBOBP-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39444;MM39444;C=NOC(=N)NN;BBGYRBGEJJJWEY-UHFFFAOYSA-N;102.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39445;MM39445;CN(C)N=CCNCC#N;OXQLIIPGPLEPDV-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39446;MM39446;C=CC=CCCC=O;LRXHBCFIMDSOLD-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39447;MM39447;N#CCCC=CC=O;BFPBPVGHWGNHLL-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39448;MM39448;N#CC=CCCC#N;ZQOHAQBXINVHHC-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39449;MM39449;C#CC(CC(C)=NN)=NN;YKTVOJHJRRDGEV-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39450;MM39450;C=CN(C=NC=N)OC=O;GBPMAYQAOCTQTK-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39451;MM39451;C=NN(C(C)=N)C(=N)OC;XITGHYATUNOFNO-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39452;MM39452;N#CC=CCNC=O;YMGKAVDUHBMKFV-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39453;MM39453;C=CC(=N)N(C=C)C(C)=O;OGCGCPQYJVNCCC-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39454;MM39454;C=CCNC=CC=O;ODTAXNAUYHTAND-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39455;MM39455;C=NOCOC;NQQRQCIJKFNSSH-UHFFFAOYSA-N;89.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39456;MM39456;CC=NOC(=N)NN;ZWDBZLVFQJEXJY-UHFFFAOYSA-N;116.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39457;MM39457;C=C(F)CNN=CC;HBPQMVKKIHWQJF-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39458;MM39458;CCC=NOC(=N)NN;BHMPSLBQRLGLCI-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39459;MM39459;N#CCN=CNC=O;HGCGXHRHZCWLOO-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39460;MM39460;C=CCC=NOC(=N)NN;YDCSPMXFSGGQJS-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39461;MM39461;N=C(NO)OC=NO;KDWZRAQHCYJVIM-UHFFFAOYSA-N;119.08;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39462;MM39462;O=CNC=NNC=O;XNHVMTGIZLUVJO-UHFFFAOYSA-N;115.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39463;MM39463;O=CNC=NOC=O;YNIUTQWNEWCEOK-UHFFFAOYSA-N;116.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39464;MM39464;NC=CC(C=NN)=NO;NCJIWJNZEFPUGL-UHFFFAOYSA-N;128.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39465;MM39465;C=NN(C)C=NOCC;HDXYACCTGULIJR-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39466;MM39466;N#CCCC(=N)NC(N)=O;VVTCAJVGZPFKFC-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03052;MM03052;C=CCNN=CC#N;MDOVONFFGPZTPE-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39467;MM39467;CC=NNC(=NC=O)NN;TXTYDCHOQIRLLH-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39468;MM39468;CC(N)(C#CC(F)F)CO;KMNZQDBAWZZUPF-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39469;MM39469;N#CC=NNCC=O;LSXBQIBSLCKADP-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16071;MM16071;N#CC=NNCC#N;QKLVUPYOAHKETG-UHFFFAOYSA-N;108.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39470;MM39470;O=CC=COCC=O;KQLAWCADDXPDDX-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39471;MM39471;N#CCOC=CC=O;XCONUFNXSBCXKY-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39472;MM39472;N#CC=COCC#N;UTRGXKYMPOXQPC-UHFFFAOYSA-N;108.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02726;MM02726;C=NN=COCC=O;ASGDZOAALWIITB-UHFFFAOYSA-N;114.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39473;MM39473;C=NN=COCC#N;JYCJSVFQFQNCGM-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39474;MM39474;C=NN(C)C(C#N)CC;SVWHNQADETZTNQ-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39475;MM39475;C=CCNN=C(C)COC;DAWNXPUPFOURNA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02774;MM02774;C=CCON=CC#N;UVKGTNGFESHICK-UHFFFAOYSA-N;110.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39476;MM39476;CC#CC(N)C(C)O;JTXJYPAQGATSMJ-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39477;MM39477;CCNN=CC(C)=C(C)F;XWSUMFDJADBQQH-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39478;MM39478;CC#CC(=O)N(N)C(C)=N;MNGVBNJSMWMZJP-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15929;MM15929;N#CC=NOCC=O;AMLKIGFZKQDOOA-UHFFFAOYSA-N;112.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39479;MM39479;N#CC=NOCC#N;PKQDBSDSEJRCJZ-UHFFFAOYSA-N;109.09;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39480;MM39480;C=C(CC)CNN(C)C=O;BSQUBGQSPAAEDW-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39481;MM39481;C#CC=CCOC=O;FIBILYGSPYAJOS-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39482;MM39482;C#CCC(C=NNC)OC;QTRTWORBRDEZEG-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39483;MM39483;C=CC(C)(O)CC(F)CN;QYSBGKSCOPJBEP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39484;MM39484;CC(C)(C)NC(=NO)NO;FNVHLQGEFSPWLA-UHFFFAOYSA-N;147.18;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39485;MM39485;C#CC=COCC=O;QLALNNNYKJIZCV-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39486;MM39486;C#CC=COCC#N;GWHVRBSPSGSYET-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39487;MM39487;C=NN(CC)C(C)=NOC;XNEINAZOIVFYKH-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39488;MM39488;C=NNCC=CF;NWYQYZGEDICSRW-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39489;MM39489;CC(C)=NNC(=N)CO;SZIQJUQDCNHZHC-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39490;MM39490;CCC(C)=NNC(=N)CO;WTSATOOCUBCHJS-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39491;MM39491;CCN=C(C)N(C)C=O;BNDUKYZVYOXUMN-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39492;MM39492;C#CCOC=CCO;XMMATXITXQQTRZ-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39493;MM39493;C#CCOC=COC;QZCMPXYOWZMOAY-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39494;MM39494;CCC(N)C(=N)N(C)O;RGWYROUWFSXTMH-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39495;MM39495;CCN(C=O)C(C)=NC;PTEZRXGNNXILTK-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39496;MM39496;C#CCN=CN(C)N=CC;VUOVULYVQLABSG-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39497;MM39497;N#CC#CC(=N)NO;IHOMHHIOSRBNAS-UHFFFAOYSA-N;109.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39498;MM39498;CN=CN(CC#N)OC=O;VZPFCMKVAZSOAF-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39499;MM39499;C#CCNC=CC=O;BFZVWUZSPKFMOQ-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39500;MM39500;CON=COC(=N)NO;GWNUPCRUQQVESK-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39501;MM39501;C=C(CN=C(N)C=O)OC;CDKDIJMNHOYSOX-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39502;MM39502;CNNC(=NOC)N(C)O;FGUUABWZIOYLQQ-UHFFFAOYSA-N;148.17;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03046;MM03046;C#CCNN=CC#N;LXKZPTDYVLKHJW-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39503;MM39503;C#CCOC=CC=O;CYOISVSPUYNRCZ-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39504;MM39504;C#CCOC=CC#N;FMXAGCUKMDOJPZ-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39505;MM39505;C#CCOC=NN=C;MKYKZIXAZYRDNJ-UHFFFAOYSA-N;110.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39506;MM39506;C#CC(C)OCC=NNC;YNIIKFCXBPDOEO-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39507;MM39507;C#CC(C)=NNCC=NN;YMZKNIQHFCMLCZ-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02755;MM02755;C#CCON=CC#N;ICCXZTKTULRRGL-UHFFFAOYSA-N;108.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39508;MM39508;OCC=CCC=NO;WCYQSMXHRNQFIQ-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39509;MM39509;COC=CCC=NO;JTFHTOMGVKQIJL-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39510;MM39510;C=NOC(CCOC)OC;ZGIDEBPLYXUAFO-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39511;MM39511;CNN=CCC=NO;DMGWSADJEBMOIG-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39512;MM39512;CNN=CC(CF)COC;XRBPRBRRORBIGZ-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39513;MM39513;CON=CCC=NO;VEQPOEGULQTEFR-UHFFFAOYSA-N;116.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39514;MM39514;C#CCOCC=NNCC;NMHJUDMASKETQU-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39515;MM39515;C=NN(C)C=NC=N;GEVWYAQAKJUFOD-UHFFFAOYSA-N;112.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39516;MM39516;C=NN(C=N)CC#N;NVKSHFXMBJWCNP-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39517;MM39517;N=C(NN)ON=CCO;CIDQWGCIZYVRFF-UHFFFAOYSA-N;132.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39518;MM39518;CC(C)(N)C=NN=CCO;OTHAROJNPAFIIT-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39519;MM39519;CCC(O)CC(F)CN;SGXATUWBWITKQY-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39520;MM39520;CN(O)C=NN;QWGOJYGLMIDCAB-UHFFFAOYSA-N;89.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39521;MM39521;C#CCN(CC)N=CNO;HDBDEQYXIRXWOC-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39522;MM39522;C=NNC(=N)CC(C)=O;HCFZKJMBRGVOIY-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39523;MM39523;COC(=NNC=N)OC;UXTKAWKSADTGRX-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39524;MM39524;CCOC(=NNC=N)OC;PTXKLIJOFPVOAA-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39525;MM39525;C#CC(=NN)N(N)C(=C)C;TUXDMJAOJYLCEH-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39526;MM39526;CC(O)CNCC(C)F;NNSYIXDNLHZQIN-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39527;MM39527;C#CC(=NN)N(C)N(C)C;LNPVNNJRBKKPPN-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39528;MM39528;CC#CCN(N)C=NN;PYTBULLLKPMDCN-UHFFFAOYSA-N;126.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39529;MM39529;CC=COC=COC;IWSJHGRNFMZQDH-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39530;MM39530;C=C(N=CNO)NC=NN;YSCLCPYPDZWCCX-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39531;MM39531;CC(C#CC#N)NCC=O;FGLHCCGFOBRDMG-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39532;MM39532;CC(C=O)NCC#CC#N;RYADLVIZZZOPLW-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39533;MM39533;OCC=COC=NO;DKQRLOHFACBMQJ-UHFFFAOYSA-N;117.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39534;MM39534;CNCC(=CCO)OC;DREFJRYYFXROCT-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39535;MM39535;COC=COC=NO;GZBNYHCCYXBTFH-UHFFFAOYSA-N;117.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39536;MM39536;C=CN=CNC(=N)C#N;QDMKBCCXHIHIMG-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39537;MM39537;CN(C=N)C(C=O)=CCO;LZONAVZMGZHJKE-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39538;MM39538;CC=C(C=O)CNCCO;QRXYYCMQPAFZKO-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39539;MM39539;CNN=COC=NO;WQEHSXKZMWAQDK-UHFFFAOYSA-N;117.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39540;MM39540;C=CC=NOC(=N)NN;AWIAOXSQMPVNAM-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39541;MM39541;CON=COC=NO;UKHANJWAWPAFIZ-UHFFFAOYSA-N;118.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39542;MM39542;C#CC=NNCCC;HNBAXZJOAQBEJI-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39543;MM39543;C=C(C)C=NOC(=N)NN;KBJDPMMOIKEOAS-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39544;MM39544;CCCNCC(=NN)NC;MZKRKPBYIGLJLB-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39545;MM39545;ON=CON=CCF;NUTZXZMPWNOFLO-UHFFFAOYSA-N;120.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39546;MM39546;CC(C)=NOC(=N)NN;VHNLKNITAGHVHL-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39547;MM39547;COC=NOC=NO;BHLGGCLKAIJIHU-UHFFFAOYSA-N;118.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39548;MM39548;N#CC=CCC=CF;IGYBQRRSZDHNCH-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39549;MM39549;C#CCC(C=NN)OC;YUTNGULZTMATER-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39550;MM39550;O=CC=CCC=NO;BBYXQGUEWGVXBC-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39551;MM39551;N#CC=CCC=NO;QYPANNYVTZZSSF-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39552;MM39552;C#CC(=O)OC(=NC)NN;QOJQALYRQZSXAI-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39553;MM39553;C#CC(N=CNN)=NO;TXINEAGAJYYSQW-UHFFFAOYSA-N;126.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39554;MM39554;N#CC=CNC=NO;NQPIUDPZSYSBJU-UHFFFAOYSA-N;111.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39555;MM39555;COC(CF)CC=NN;CZDMARWQNFHXQI-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39556;MM39556;N=C(N)C(=O)CC=NO;HIFCZLXFAOPUSQ-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39557;MM39557;C=NOC(=NO)NC(C)=N;LYKMSAKHTYOMNQ-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39558;MM39558;C=CC(=C)CCNCC=O;IOUMIPOKSYOJOZ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39559;MM39559;CC=NN=CNC=O;OGOJORIRMBDSDT-UHFFFAOYSA-N;113.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39560;MM39560;CC(O)(C#N)C(=N)NO;CDMPXSIIFOGPOC-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39561;MM39561;CC=CC(=NC=N)NC=N;PTCQRAXOAYKSRQ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39562;MM39562;CCN(N)C(C=NN)=NO;DFOBDLJIMUJJNJ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39563;MM39563;CNC(=NC=O)NC=O;JNGYMCPDLLUMPX-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39564;MM39564;C=CC=NNC=NO;NHXOITHPMHYCTJ-UHFFFAOYSA-N;113.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39565;MM39565;N#CC=NNC=NO;BQIXUTIAFWTDPJ-UHFFFAOYSA-N;112.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39566;MM39566;O=CC=COC=NO;NVYDICRKFBEPIQ-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39567;MM39567;N#CC=COC=NO;JOSBENMEHCIIHZ-UHFFFAOYSA-N;112.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39568;MM39568;CCON(C)C(=NO)NC;LFKIDUIUTYNKFI-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39569;MM39569;C=NN=COC=NO;IPWWCSFFPPSTSS-UHFFFAOYSA-N;115.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39570;MM39570;CON=CNC(C)(C)C#N;YPSCSVBOBWXWID-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39571;MM39571;C=CC=NOC=NO;ACZSBJYINGVDLY-UHFFFAOYSA-N;114.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39572;MM39572;C#CC=CCC=NO;BTEYCUQYQQTKOR-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39573;MM39573;CCC(C)NC(=NO)NO;RDZOEZZQHRXIEG-UHFFFAOYSA-N;147.18;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39574;MM39574;CC#CC(=NN)C(=N)NC;SSCXKUWGDPNOSM-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39575;MM39575;C#CC=NNC=NO;OLSQBCJVHIZPJU-UHFFFAOYSA-N;111.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39576;MM39576;C#CC=COC=CC;FGNBQSMCXXRBRM-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39577;MM39577;CC(=NC=N)N(O)C=N;SJJSJOLZBPTOFV-UHFFFAOYSA-N;128.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39578;MM39578;C#CC=COC=NO;JPXQPZWMRVMSMA-UHFFFAOYSA-N;111.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39579;MM39579;C=NN(CCC#N)C(=N)N;PDZIJJZNCUKIPO-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39580;MM39580;C#CC=NOC=NO;AJABNMPEVVXYDH-UHFFFAOYSA-N;112.09;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39581;MM39581;CC#CCC=CC#N;BYYWQKJGLYYDFD-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39582;MM39582;C=NOC(C)(C=O)COC;WTKJWEZJPHPCFX-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39583;MM39583;C=C(C#N)C(=N)N(O)C=N;TWWGYOZJCZLAAE-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39584;MM39584;N=C(CO)NN=CCO;IDOFJRILEZGORS-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39585;MM39585;OCC#CCCCO;JMFLJGDVVZHUGJ-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39586;MM39586;C=NNCC=NOC(C)=O;QSQCEUOPMKOBFU-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39587;MM39587;C=CCN(C=NC=N)N=C;SMZCGXREBLVMFS-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39588;MM39588;COCCC#CCO;HDCXBSPXHVNURF-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39589;MM39589;CNN(C=O)C=COC=O;HVWAXZWRBUMSTD-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39590;MM39590;C#CC(C#C)N(C)N=CC;CCPVFQYMECVMDI-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39591;MM39591;CCOCC#CCO;PWZYOFDZTNCAHK-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39592;MM39592;CCCCC#CC#N;LQKVSUAZSZDGDW-UHFFFAOYSA-N;107.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39593;MM39593;O=CC#CCCCO;BSIGLNRRKBVXDH-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39594;MM39594;N#CC#CCCCO;USPQGOMNQOFCSP-UHFFFAOYSA-N;109.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39595;MM39595;N#CC#CCCCF;UMNPCKQCZSQLGI-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39596;MM39596;CCNN=CCNCC#N;VHBLYOKBXRGTDP-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39597;MM39597;C#CC#CCOCC;PEXOSELXXOKEOM-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39598;MM39598;O=CCCC#CCO;PJBRPKHDRHEERY-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39599;MM39599;N#CCCC#CCO;SLTVZSOQLFRDLW-UHFFFAOYSA-N;109.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39600;MM39600;N#CCCC#CCF;GMAGKIJDFJKLAI-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39601;MM39601;NN=CCCF;RYJDJUJVIIKQMY-UHFFFAOYSA-N;90.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39602;MM39602;O=CNCC#CCF;TYLLGKAXVQXHCF-UHFFFAOYSA-N;115.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39603;MM39603;C=CC=NNC(=N)CO;PBVPYBWEQJKGPC-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39604;MM39604;CN=CNN=CC#CCN;UOIBFOOGAKRLBJ-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39605;MM39605;N=CNN=CC#CCN;IYYPXBFSJDKQFM-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39606;MM39606;C=COCC#CCO;HDMQUBPYOUCNIK-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39607;MM39607;C=COCON=C;LYAXLPGAZKEOBV-UHFFFAOYSA-N;101.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39608;MM39608;O=COCC#CCO;NSGHMBZARHWLKP-UHFFFAOYSA-N;114.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39609;MM39609;C#CC(=C)C(C)=NN;JPMZFYNYOPPNAC-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39610;MM39610;COCC=NNC(=N)CO;ADWLNVDZTZTUHB-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39611;MM39611;C=CCCC#CC#N;VCQROGXZVBNDTP-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39612;MM39612;N#CC#CCCC=O;QIXTXNYCHGAETQ-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39613;MM39613;N#CC#CCCC#N;HRIFBEYIDPAWCF-UHFFFAOYSA-N;104.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39614;MM39614;C#CC(C=CC)=NN;GDDVWBGMCHGTAT-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39615;MM39615;O=CC#CCNC=O;SOOOKYPVGXRUGJ-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39616;MM39616;N#CC#CCNC=O;IMMCRLUPILHUTF-UHFFFAOYSA-N;108.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39617;MM39617;C#CC(=N)N(O)CC=O;CJOSIACSENYYNK-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39618;MM39618;CCN(O)C(=NOC)NC;AHOXVDWIMOQTOA-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39619;MM39619;O=CC#CCOC=O;WBRMLXSBWGAJCC-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39620;MM39620;CNC(=CC#N)NC;CTLMWMRFLNYTCV-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39621;MM39621;CCON=C(NO)NNC;HZXCECMSEZGWOM-UHFFFAOYSA-N;148.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39622;MM39622;C#CC#CCOC=O;OXYLJWDOJXKPLR-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39623;MM39623;NN=CCCOC=O;ZVKZPHXKGNDFSU-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39624;MM39624;C#CCCC#CCC;CKRXBCDXHHIQDX-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-2,6-diyn-1-ol;MM01698;C#CCCC#CCO;UOWTUIXXMWWUAG-UHFFFAOYSA-N;108.14;0.4;88063521;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39625;MM39625;C#CCCC#CC=C;GSDJRGZJPBQBCR-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39626;MM39626;C#CCCC#CC=O;QOVUFQDIBQSJCH-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39627;MM39627;C#CCCC#CC#N;GFQXHFDZDNUHGO-UHFFFAOYSA-N;103.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39628;MM39628;C#CC#CCCC#C;XBSFBLSZOJPWQP-UHFFFAOYSA-N;102.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39629;MM39629;CCCNCC(F)C=NN;GLYULWLYNCYHMX-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39630;MM39630;OCC#CCC=NO;LMRVTWNFSSDRRI-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39631;MM39631;ON=CCC#CCF;ZSOLAGUQTBAWQR-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39632;MM39632;CC=CCC#CC#N;YDNBQENSCRFYDR-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39633;MM39633;N#CC#CCC=CF;KBVJSDOFXVQHMZ-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39634;MM39634;C=CC#CCC=NO;JYKMDXKBMBZTRE-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39635;MM39635;O=CC#CCC=NO;FEYFNAXBKWDHIN-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39636;MM39636;C#CC#CCC=CC;DNRPIPZNUKZIPV-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39637;MM39637;C#CC#CCC=CF;RZZRRGPUFAQKCF-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15468;MM15468;C#CC#CCC=NO;DSDPZESJPSOTLQ-UHFFFAOYSA-N;107.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39638;MM39638;C=CC#CCC#CC;VBPKMMMJLFOICU-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39639;MM39639;CC#CCC#CC#N;AGADOMNCCKUHEX-UHFFFAOYSA-N;103.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39640;MM39640;C#CC#CCC#CC;SMRGETYFBBJDPC-UHFFFAOYSA-N;102.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39641;MM39641;OCC=CC=CCO;UALGDSCLDIEGCQ-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39642;MM39642;COC=CC=COC;ZFOMGKMTIIJRAI-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39643;MM39643;CC=NNCC=CF;JDUHVPQROZFJEN-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39644;MM39644;CNCC(F)(C#N)C#N;APWLMLHSXZLHMV-UHFFFAOYSA-N;127.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39645;MM39645;C#CC(=O)N(N)C(C)=N;JXVONYIWOPYSRX-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39646;MM39646;C=CC(ON=C)ON=C;OHMDEKBENHBQKS-UHFFFAOYSA-N;128.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39647;MM39647;COC(C)(C#N)C(=N)N;TVRHTTHJDDKTJB-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39648;MM39648;CCOC(C)(C#N)C(=N)N;YXUBIQJACZNHLT-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39649;MM39649;CNN(C=CF)C(C)=O;JBRJDVLZVYXNTI-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01770;MM01770;CCC=NN=CCO;VUSZYBRQIPOGQX-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39650;MM39650;CNN(C=O)C(C)=CF;PJMKMTWELAUQIL-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39651;MM39651;CCON=C(NC)N(C)O;KOPHEEHRNUSRQH-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39652;MM39652;OCC=NN=CCO;MCZOWVAPTLNKLR-UHFFFAOYSA-N;116.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39653;MM39653;OCC=NN=CCF;GXJVETXQIPLGEU-UHFFFAOYSA-N;118.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39654;MM39654;C=COCOCC=NN;RYZLJDIQWOYGAB-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39655;MM39655;COC=NN=CCO;QHXNQEYCXVTSND-UHFFFAOYSA-N;116.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39656;MM39656;COC=NN=COC;RNYICUBSSZHZJY-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39657;MM39657;O=CC=CC=CCO;PCYZGEHNECVSCF-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39658;MM39658;C=CC=CC=COC;FZXAQYHGADCEAC-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39659;MM39659;COC=CC=CC#N;CTDFMFCPERXKAK-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39660;MM39660;CCC(=O)N(N)C(C)CF;DKWHNGZCGYWYDJ-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39661;MM39661;C=CC=NN=CCO;HZXADEMBAKKBGH-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39662;MM39662;O=CC=NN=CCO;NEUGLMBFDSCBNY-UHFFFAOYSA-N;114.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39663;MM39663;N#CC=NN=CCO;IVRIALJLIHUYJL-UHFFFAOYSA-N;111.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39664;MM39664;COC=NN=CC=O;AKJDGPGQKZOOHW-UHFFFAOYSA-N;114.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01875;MM01875;COC=NN=CC#N;DHRKRMALXQCGNG-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39665;MM39665;C=COCC(C)=NNCC;MPGUYNVPXZKKCP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39666;MM39666;C#CC=NNCC(C)=NN;LNQNYDDGDHUHHX-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39667;MM39667;C#CC=NN=CCO;UXKDESSXDVBPSN-UHFFFAOYSA-N;110.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39668;MM39668;C#CC=NN=COC;FDLWLHJZULNHPO-UHFFFAOYSA-N;110.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39669;MM39669;C=CC=CC=CC=O;NTUROFMKKFSEHS-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39670;MM39670;N#CC=CC=CC=O;HJVZCMYPQMCKMW-UHFFFAOYSA-N;107.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39671;MM39671;N#CC=CC=CC#N;QLQYLCRMTTXKHS-UHFFFAOYSA-N;104.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39672;MM39672;C=NN(C)C(CC)=NOC;ZFDGAGXJHNOMLI-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39673;MM39673;C=C(C=O)C=NNC;NLXFRDULLYCDOE-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01570;MM01570;C=CC=NN=CC#N;LHNOSIAILSMMID-UHFFFAOYSA-N;107.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39674;MM39674;O=CC=NN=CC=O;MKMJWEPHDGVSFV-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15311;MM15311;N#CC=NN=CC=O;NAXJSUGIOYHSJE-UHFFFAOYSA-N;109.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01924;MM01924;N#CC=NN=CC#N;ZCNQEHOJVPMGOF-UHFFFAOYSA-N;106.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39675;MM39675;C#CC=CC=CC#N;PBWRXTQMCWUWDO-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39676;MM39676;CC(=CC=O)N=C(N)C=O;UQQGUBWLRXCMDG-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39677;MM39677;C=NN(C)C(=N)OCOC;BRHHYJARPXUIOA-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39678;MM39678;C#CC=NN=CC=O;FISCREDJOCNGPO-UHFFFAOYSA-N;108.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01671;MM01671;C#CC=NN=CC#N;HHHBADZGJSLQTE-UHFFFAOYSA-N;105.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39679;MM39679;C#CC=CC=CC#C;ZFZDQOLMOIFFRX-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39680;MM39680;C#CC=NN=CC#C;TULFWCZZJYOEPH-UHFFFAOYSA-N;104.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39681;MM39681;C#CC=NN(C)C(=N)OC;DEKWUJGXMJYMLS-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39682;MM39682;COC(=NN)C(=N)NO;JHRFFYSDLIYNFK-UHFFFAOYSA-N;132.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39683;MM39683;OCC#CC=CCO;WPFGVAUHKQJLOU-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39684;MM39684;C=CC#CC(=O)N(C)NC;XZOPEKKQOXWJRV-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39685;MM39685;OCC#CC=CCF;DRYJBIHOICJAAC-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39686;MM39686;C=CC(C=NN)OCOC;LSIQIDIFNSLSCE-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39687;MM39687;COC=CC#CCO;ADENVXLDOKKMIS-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39688;MM39688;CNC(=NOCC#N)NC;GCSMJESXBZVMQF-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39689;MM39689;C#CC(C#C)N(C)N=C;VCWQQSNPUBITSX-UHFFFAOYSA-N;120.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39690;MM39690;C#CCNN=CC#CCN;TWHSIJNJAUXENV-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39691;MM39691;C=C(C)CC(F)(F)C(=N)N;ZOSCCLPZQVAVHL-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39692;MM39692;CCC=CC#CC#N;CGLPFQGLNULUBP-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39693;MM39693;COC=CC#CC#N;DOHVWBOSEXDYEO-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39694;MM39694;CC(C)C(=O)N(N)C(C)C;VJXSTSXKUKXAEI-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39695;MM39695;C=COC(C=NN)COC;UTVCGQBGIZNHPV-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39696;MM39696;CNN=CC(C)NCC#N;ZDSJIWBBMYQCTM-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39697;MM39697;C#CC(CC=NNC)=NN;NLYRHHNYERXSHE-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39698;MM39698;O=CC=CC#CCO;HJVZKMWGMDLNRL-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39699;MM39699;N#CC=CC#CCO;GBZHTMCHPXQUGM-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39700;MM39700;C=COCOCC=NNC;AEMNFXUZQMSFDJ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39701;MM39701;C=NN=CC#CCO;KLUFPBFFURUNMQ-UHFFFAOYSA-N;110.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39702;MM39702;C=CC=CC#CC#N;QOSAOANJDAMATL-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39703;MM39703;C=CC#CC=CC#N;MJGAURFCMADVFY-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39704;MM39704;O=CC#CC=CC=O;BMPNIWUHJRJBRL-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39705;MM39705;N#CC#CC=CC=O;XERIAPQYFVONEM-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39706;MM39706;N#CC#CC=CC#N;MLNHKZNVKRIQEK-UHFFFAOYSA-N;102.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39707;MM39707;C#CC#CC=CC=C;HZZHZRUYBAHBKW-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39708;MM39708;C#CC#CC=CC=O;SBGNBVHVUFAIAU-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39709;MM39709;C#CC#CC=CC#N;RFZZCBOWYUYQMT-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39710;MM39710;C#CC=CC#CCC;FLHMFWOKEWYJDT-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39711;MM39711;CC(CCF)=NN;JEMMRPWHWUKGCR-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hept-4-en-2,6-diyn-1-ol;MM01697;C#CC=CC#CCO;PGBSVUIUWIBPKL-UHFFFAOYSA-N;106.12;0.17;57194922;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39712;MM39712;C#CC=CC#CC=C;ZNEHGSBIHYPHJJ-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39713;MM39713;C#CC=CC#CC=O;VTUWMINOSBINLE-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39714;MM39714;C#CC=CC#CC#N;AHNBTOGNSYOCRC-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39715;MM39715;C#CC#CC=CC#C;WLMSSSQXCABXFX-UHFFFAOYSA-N;100.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39716;MM39716;CCC#CC#CCC;LILZEAJBVQOINI-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39717;MM39717;C=CCC(F)(F)C(=N)N;POOJMOHCQRUUNP-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-2,4-diyn-1-ol;MM01689;CCC#CC#CCO;MXTNKCZYNHNANK-UHFFFAOYSA-N;108.14;0.4;10975431;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39718;MM39718;COCC(C=NN)OC;GFOOGOMEJXNYSU-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39719;MM39719;CON=C(C)NCC=O;AHHXJHSIVAFOCB-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39720;MM39720;C=NOCOC(C)(C)OC;ODCHJNVUUVZTTF-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39721;MM39721;OCC#CC#CCO;JXMQYKBAZRDVTC-UHFFFAOYSA-N;110.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39722;MM39722;OCC#CC#CCF;MLHQASLDWLXICU-UHFFFAOYSA-N;112.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39723;MM39723;C=CC#CC#CCC;FRKDKCBYSILBHJ-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39724;MM39724;CCC#CC#CC=O;OYZQBWKKKSJOJW-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39725;MM39725;CCC#CC#CC#N;GWRUKWPBZIXETJ-UHFFFAOYSA-N;103.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39726;MM39726;CC=NN(C)C=NN(C)C;VDRLLKFVHGLWMI-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hept-6-en-2,4-diyn-1-ol;MM01685;C=CC#CC#CCO;CAASVASRQTYQLB-UHFFFAOYSA-N;106.12;0.17;130125246;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39727;MM39727;O=CC#CC#CCO;LNHNUSUOQHQPCN-UHFFFAOYSA-N;108.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39728;MM39728;N#CC#CC#CCO;QIMHITKBYLIXAP-UHFFFAOYSA-N;105.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39729;MM39729;O=CC#CC#CCF;BKRVXJICGJDVFV-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39730;MM39730;N#CC#CC#CCF;KBRYVVFYVMAMTF-UHFFFAOYSA-N;107.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39731;MM39731;C#CC#CC#CCC;CXRODOQTCKJXLV-UHFFFAOYSA-N;102.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39732;MM39732;CC(=O)N(N)C(C)C(C)C;BLXIWKBIYSNLSF-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-2,4,6-triyn-1-ol;MM01683;C#CC#CC#CCO;BDCBYJKNJRUPKV-UHFFFAOYSA-N;104.11;-0.38;86092121;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39733;MM39733;C#CC#CC#CCF;PEABARHHOOFIKD-UHFFFAOYSA-N;106.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39734;MM39734;C=CC#CC#CC=C;UNPRFFXVNBMBLD-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39735;MM39735;C=CC#CC#CC=O;AMGGGZKUEJYKOO-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39736;MM39736;C=CC#CC#CC#N;GIBOLSAOCGXKOJ-UHFFFAOYSA-N;101.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39737;MM39737;O=CC#CC#CC=O;GIVKRPNKHHQQNH-UHFFFAOYSA-N;106.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39738;MM39738;N#CC#CC#CC=O;MRAIFCWNEDNKDG-UHFFFAOYSA-N;103.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39739;MM39739;N#CC#CC#CC#N;HEUVKASCJJGDBZ-UHFFFAOYSA-N;100.08;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39740;MM39740;C#CC#CC#CC=C;NJVZUHHQYOCOTJ-UHFFFAOYSA-N;100.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39741;MM39741;C#CC#CC#CC=O;VBJNCZGDNRKMIH-UHFFFAOYSA-N;102.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39742;MM39742;C#CC#CC#CC#N;XRJCSTPFBZTAPK-UHFFFAOYSA-N;99.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39743;MM39743;C#CC#CC#CC#C;CDGAYCHXIBGGNI-UHFFFAOYSA-N;98.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39744;MM39744;C=NOCOC(C)COC;XUPQJUUYAOOMBI-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39745;MM39745;C=NN=CCC(=O)C(=N)N;GDTHEVPLRXMKQE-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39746;MM39746;OCCC=CCCO;MWSXXXZZOZFTPR-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39747;MM39747;C=NOCOC(C)OCC;ULIWTYWSLYACMW-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39748;MM39748;C=NNCCC(=O)ON=C;LGLPXHSPFRAHGG-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39749;MM39749;C#CC=NN(C)CC=NN;PFOCFCWBWATEFS-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39750;MM39750;CCNN=C(C)CC=CF;WPYNNVAYKPMQMT-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39751;MM39751;C=COCC(C=NN)OC;PRYPZJFDSNLBEE-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39752;MM39752;C=NN(C=N)C(=C)CC=O;YPBRIOJMMNTSIO-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39753;MM39753;CN(C)C(C#N)C=CC#N;MFYOTEFSEMWYCX-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39754;MM39754;C#CC(CCON=C)=NN;GHBFGLBGBWGGDZ-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39755;MM39755;C=NOCOCCCOC;BUEKUKHAMLNOQK-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39756;MM39756;C=NOCOCCOCC;BWVZXOQYTLGTPP-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39757;MM39757;CC(C)(C)N(N)C=O;VBNLGDGYAZBMDU-UHFFFAOYSA-N;116.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39758;MM39758;C=C(CN)OC=NNC=O;UBCCGDFOJQIAAJ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39759;MM39759;CC(=O)N(N)C(C)C;LZGCYAWAHIGNRW-UHFFFAOYSA-N;116.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39760;MM39760;CCCC=CCC#N;VXBPQPZINCBINS-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39761;MM39761;O=CCC=CCCO;OKLUIKITXCHIDQ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39762;MM39762;CN(C)C(C#N)CF;PXMDDTJYHIGYMW-UHFFFAOYSA-N;116.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39763;MM39763;C=NOCCC(=O)OC;QNPJEQNVYYTEIK-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39764;MM39764;O=CNC=CCCF;YRHFHMTWHXLQPS-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39765;MM39765;COC(=O)C=CC=NN;HZJXLPVBISBEPH-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39766;MM39766;COCC=CNC=O;WOJMLWIPIOYJMX-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39767;MM39767;C=CC(C#N)=C(N)NC;NQCXTGWXARRZJJ-UHFFFAOYSA-N;123.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39768;MM39768;O=COC=CCCO;AVKPSNGDGOOPFA-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39769;MM39769;C#CC(F)CNC(C)C#N;PGFOQKNZAAOGLM-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39770;MM39770;COCC=COC=O;JJUZXEVIIGIYJK-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39771;MM39771;CNN=CCNC(C)C#N;FQXYNMLZZNFJRL-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39772;MM39772;C=COC=COCC;WYUDBVUBSLDKQD-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39773;MM39773;CNN=C(N)C#CC=O;BXPUSMRGTVAQKR-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39774;MM39774;O=CNN=CCCO;IYPWWOOIZKJTCG-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39775;MM39775;CC#CC(=NN)NN(C)C;DZDMWXFBELYXCX-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39776;MM39776;COCC=NNC=O;RDRPCNDPLGHEBN-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39777;MM39777;C=C(C=O)N(C=N)N=CC;UMKNSHNBMHKCML-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39778;MM39778;C=NOCC(C=O)=COC;YZBOCNYYMUZWTD-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39779;MM39779;CCN(N)C(CF)=NN;ZMMJIQKTYLDILY-UHFFFAOYSA-N;134.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39780;MM39780;CC(C)C(=N)N(N)C=O;GKVQFELEWZMUDW-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39781;MM39781;C#CC(=N)N=C(NC)OC;IAKQYPBHCSXQOC-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39782;MM39782;C=NNC(=N)COC;GKIZKTQFFDTJKS-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39783;MM39783;NC(C#CC=NO)CCF;KFXYAWIBSRCOKN-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39784;MM39784;C=NNC(=N)COCC;UICCXQNCXVASQJ-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39785;MM39785;CC(CF)=NOC(=N)NN;PNKBICTYXNOWRF-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39786;MM39786;CC#CC(N=CNN)=NO;FCXZKOURGOIXSL-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39787;MM39787;C=CCC(N=CNN)=NO;SAYGUDSZIGXRDH-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39788;MM39788;CN=C(C#N)NCCF;SLQMARAISRPKFQ-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39789;MM39789;C=NN(C=NC=N)CC;DRKPFLGTORRQGC-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39790;MM39790;C#CCC=CCCC;BMJSZITYLSLWNW-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39791;MM39791;CC(C)(C)C(=N)N(N)C=O;KRRUYBAVZAWJFH-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39792;MM39792;CNC(C#N)C(C)(F)C=O;IJTDUJNDEISQHI-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39793;MM39793;C=CCC=CCC=O;GUNATYGWSCXDCC-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39794;MM39794;N#CCC=CCC#N;BSVZXPLUMFUWHW-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39795;MM39795;COCC(C)(C=NN)OC;GFCPWSVUWLCFHC-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39796;MM39796;O=CCC=CNC=O;LDWDEMBZKZDBQM-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39797;MM39797;N#CCC=CNC=O;RGKYDBAYSWLXCB-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39798;MM39798;O=CCC=COC=O;MENRVZDZXBGITE-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39799;MM39799;C=NN(C)C(=N)OCC#N;VBORMGQPJCFDNI-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39800;MM39800;C=COC=CNC=O;MINBFZCZIOTPFT-UHFFFAOYSA-N;113.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39801;MM39801;O=CNC=COC=O;YKYOKKUSJGAELL-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39802;MM39802;C=COC=COC=C;NJTREMDCGCZVNM-UHFFFAOYSA-N;112.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39803;MM39803;O=COC=COC=O;NJLVQBOTXIQPHP-UHFFFAOYSA-N;116.07;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39804;MM39804;CCN(N)C(=NO)OC;UYLSGQNRYHEILL-UHFFFAOYSA-N;133.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39805;MM39805;NC(CCCCC=O)=NO;VJAJOOOXVQVRFG-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39806;MM39806;O=CCC=NNC=O;GDQFXXFJDMSMTQ-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39807;MM39807;N#CCC=NNC=O;HBNYDICNJBTUOO-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39808;MM39808;CNC(C#CC=O)=NOC;PKGANRMYAOVBNW-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39809;MM39809;CNC(C=NO)C(C)C;YSKIAYOSNYORFT-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39810;MM39810;C=COC=NNC=O;DLPXDVUKIJLWGE-UHFFFAOYSA-N;114.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39811;MM39811;CNNC(=NO)N(C)O;LUKCIEHLFYXRPA-UHFFFAOYSA-N;134.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39812;MM39812;O=CNN=COC=O;CYSSGTVYVHSGDW-UHFFFAOYSA-N;116.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39813;MM39813;C=CN(O)C(=NO)NCC;TUXAJYYWDLIDPH-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39814;MM39814;CCN=C(C)N(C=O)NC;OPNLZPVNGUPLLY-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39815;MM39815;C#CC=NNCC=NNC;XRGMYVGWWHMFLK-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39816;MM39816;C#CCCNN=CCOC;NAZXDQKYHOONKP-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39817;MM39817;CNN(C)C(=O)C=O;WIAHRSRGSHTZIZ-UHFFFAOYSA-N;116.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39818;MM39818;C#CCC=CNC=O;QWNBWOZIYFTGMU-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39819;MM39819;C#CCC=COC=C;FVPJJSPDUGYVTI-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39820;MM39820;C=C(C=NNC)CF;WHSYFTGLWZKJRS-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39821;MM39821;C#CCC=NNC=O;BFAHVRGRQGRLBW-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39822;MM39822;CC(C)CNC(=NO)NO;BKMMQFIVTZTUIY-UHFFFAOYSA-N;147.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39823;MM39823;C=NN(C)C(=NC=O)NN;QSZQWJAQNZXMMI-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39824;MM39824;C#CC(=C)C=NNC;ZGQUZHMNESCRKS-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39825;MM39825;COCCC=NOC;RQEVCIJQICWRMS-UHFFFAOYSA-N;117.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39826;MM39826;COCC=CC=NO;RBCHYZCSMHPVFH-UHFFFAOYSA-N;115.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39827;MM39827;CC(C)NN(C=N)C=O;HSCOFSAQILCNQV-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39828;MM39828;COCOC(C)C=NN;UZEOPFLUFXVXNC-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39829;MM39829;CCNN=C(C)COC;APZVTIQWHHDPCB-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39830;MM39830;C=CC(C)N(N)C(C)=O;WIDVUMPBOHRULN-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39831;MM39831;C=CN(O)C(=NC)OC;VJBJDPBQIGREJM-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39832;MM39832;CCNN=CC=NO;SMVWVGAVDQZDIC-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39833;MM39833;C=NN(C)C(C)CC#N;NINUABVXKNLCLC-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39834;MM39834;CN(C=N)C=NNC(N)=O;VPZKZACRFGTHSX-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39835;MM39835;CCON=CC=NO;CZJQWXVJCHGESN-UHFFFAOYSA-N;116.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39836;MM39836;C=CCC=CC=CC;WUUCWXTXRGXFOB-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39837;MM39837;CC=CC=CCC#N;KCTNDIPTIYYUSV-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39838;MM39838;N#CCC=CC=NO;DUFLONRGCCDPLJ-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39839;MM39839;C=C(C)C=NNC(=N)CO;IENMUAHCUPVLPD-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39840;MM39840;C=NNC=CC=NO;IYKYSWLWGXHSRH-UHFFFAOYSA-N;113.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39841;MM39841;CC=NN=CCC#N;KRHVDEJURXUWIS-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39842;MM39842;N=C(CO)NN=CC=NN;HZCDIDOEGCIRLW-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39843;MM39843;N#CC(F)=CN(O)C=N;NKSIMKIZAUWVPS-UHFFFAOYSA-N;129.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39844;MM39844;C=CNC=NC=NO;MWYMSHABYLKTRU-UHFFFAOYSA-N;113.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39845;MM39845;C=C(C)C(CNCC)=NO;MZNTUCNNHRFILF-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39846;MM39846;CNNC(=NOC)NO;KOKGPXGNURMNJF-UHFFFAOYSA-N;134.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39847;MM39847;CCNC(=NOC)N(C)O;DSLRLGFELSJCJG-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39848;MM39848;C=NNC(=N)COCCO;QSGVNNFFECYVSA-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39849;MM39849;O=CON=CC=NO;FGUNKJRVUCWANB-UHFFFAOYSA-N;116.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39850;MM39850;C=CCNN(C=O)CC;VGSLHRSKYVMBLR-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39851;MM39851;CC#CC=CCCC;RENQJPZFDSDIQA-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39852;MM39852;CC=C(C=O)C=NNC;UNMDVTXOSVRPFB-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39853;MM39853;CC#CC=CNC=O;GRCBYMWPZXSTEI-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39854;MM39854;CC=NN(C=N)CCCO;SBFFSSOTTRHQPY-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39855;MM39855;CC#CC=NNC=O;KLMGXRZRGNYBFD-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39856;MM39856;C#CC(N)CC(CC)=NO;ZXTIEIKCOZDQEM-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39857;MM39857;CC=NN(C)CCCC#N;SSGNKUSNNSQTAD-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39858;MM39858;CCC(=NOC)NCC=O;YSZZJSZBLIKANX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39859;MM39859;C#CC(=NN)C(F)=C(N)N;RALPAALTAFKTLM-UHFFFAOYSA-N;142.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39860;MM39860;CCCC#CCCC;GZTNBKQTTZSQNS-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39861;MM39861;CCNCC(F)(C#N)C#N;YAXILUCSAXBAHZ-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39862;MM39862;CON(C(=N)N)C(=N)C#N;ZMMYKPXWCZMRLQ-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39863;MM39863;OCCC#CCCO;ITLHEQKODIKDEM-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39864;MM39864;OCCC#CCCF;BJDNJJRLXGMDEH-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39865;MM39865;CCC(C#N)(C=O)N(C)C;PKXOOURBWULDPI-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39866;MM39866;C#CCONC=NNCC;PEQVTKOUHACIRH-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39867;MM39867;CC=NNC(CF)COC;YOCWWZVWJLFPHB-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39868;MM39868;COCC#CCCO;ROJSXVDZKBAUQF-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39869;MM39869;C#CC(C=C)N(C=N)N=C;XUKBOSIHFHWYLS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39870;MM39870;C=NN(C)C=NC=NC;GAAQLXAOTRLTPQ-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39871;MM39871;C=CCC#CCCC;ICBXOVYWGIDVQO-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hept-3-ynenitrile;MM01842;CCCC#CCC#N;MGQQCHCJVOUFNF-UHFFFAOYSA-N;107.16;1.7;57114132;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39872;MM39872;O=CCC#CCCO;RHSZAEIJCPMWPP-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39873;MM39873;N#CCC#CCCO;SGGJEDALFWWWIC-UHFFFAOYSA-N;109.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15964;MM15964;N#CCC#CCCF;OCGQCAGURVIAPY-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39874;MM39874;CC#CC(=O)N(C)NC;CDTQRMYVTYZWRO-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39875;MM39875;CC=CCNCC(O)C=O;YQMKNQQOWCNRRW-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39876;MM39876;NN=CN(N)CC#CCF;VYNBFMVFJZTQAI-UHFFFAOYSA-N;144.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39877;MM39877;C=CCC#CCOC;PWXKGVNRJLPZBG-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39878;MM39878;C#CCC#CCCC;CQOOLRZHDLXBJM-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39879;MM39879;CCNN=CCC=CF;IVIFPKXQURJOBY-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39880;MM39880;C#CCC#CCCO;LJFMPEDCJRYBFO-UHFFFAOYSA-N;108.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39881;MM39881;CC=NNCC(F)COC;AOCVTJNFMXEBEC-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39882;MM39882;C#CCC#CCOC;LPZREZZWDZRZCX-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39883;MM39883;C=CCC#CCC=C;DDPFBQULOVGCQV-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01838;MM01838;C=CCC#CCC#N;ULIDJNQZXJHYKA-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15691;MM15691;N#CCC#CCC=O;JAUITALVKRWVKN-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39884;MM39884;N#CCC#CCC#N;XBRLXFJKEZKMNM-UHFFFAOYSA-N;104.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39885;MM39885;C#CCC#CCC=C;TWVDLKBXACNCRU-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39886;MM39886;C#CCC#CCC=O;HXHLOYUFQNWBBO-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01846;MM01846;C#CCC#CCC#N;PQZRDAIPWLDXKV-UHFFFAOYSA-N;103.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39887;MM39887;C#CCC#CCC#C;DGLFKSBTDSLHBB-UHFFFAOYSA-N;102.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39888;MM39888;CC=CC#CCCC;DDENUGDURIGJJK-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39889;MM39889;C#CC(C=C)N(N)C=NN;KKGCOQXJECYSNE-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39890;MM39890;C=CC(C)(O)C(N)C#CC;KJZODAYCVPVJHN-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39891;MM39891;OCCC#CC=NO;MNYBIWGNXMLABF-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39892;MM39892;ON=CC#CCCF;XVZVMWZCIPDUKC-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39893;MM39893;C#CC(C)(C=O)N(C)N=C;DZJARKJIKNYTAP-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39894;MM39894;C=CCNN(C)C(=O)CC;SKZKFZHXYHHFLT-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39895;MM39895;C=CCC#CC=CC;GKEINWLIZBKLKX-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01843;MM01843;CC=CC#CCC#N;RPZWRRJWNWLYPW-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39896;MM39896;O=CCC#CC=NO;OLZRIYVBGYPZDW-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39897;MM39897;N#CCC#CC=NO;UVXJEMROOGNOFV-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39898;MM39898;C#CCC#CC=CC;WZEZOGXCZGCQGY-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39899;MM39899;C#CC=NNCCON=C;MUROLWNNFDVWGZ-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15436;MM15436;C#CCC#CC=NO;NVZTZJGQFJJYLF-UHFFFAOYSA-N;107.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39900;MM39900;CC#CC#CCCC;PIZXMNCZFYAWIP-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39901;MM39901;C#CCCOCC=NNC;LAWYVQWVXOXRQW-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-3,5-diyn-1-ol;MM01757;CC#CC#CCCO;XNMFUOYDIOUELV-UHFFFAOYSA-N;108.14;0.4;124701961;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39902;MM39902;C=NOC(C)OC;QPQWTVJQVNBPIQ-UHFFFAOYSA-N;103.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39903;MM39903;CC#CC#CCOC;NTFNMCNTUYHFPQ-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39904;MM39904;C=CCC#CC#CC;YPRBKGFFCNACLX-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39905;MM39905;CC#CC#CCC=O;MVMHESIJYQCAEJ-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-3,5-diynenitrile;MM01832;CC#CC#CCC#N;UMKVBWSJXJWXAA-UHFFFAOYSA-N;103.12;0.93;129652403;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39906;MM39906;C#CCC#CC#CC;GHBYIBRVAURMEI-UHFFFAOYSA-N;102.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39907;MM39907;CC=CC#CC=CC;YTEZGQNMZDDQMB-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39908;MM39908;CN1CC1CC#N;GFFXWXZGIATSLK-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39909;MM39909;NN=CC#CC=NO;NUBXZYRZPFMDCV-UHFFFAOYSA-N;111.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39910;MM39910;ON=CC#CC=NO;MMLULQOJLTUYRO-UHFFFAOYSA-N;112.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39911;MM39911;CC#CC#CC=CC;IVHNBFKYSOAWDD-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39912;MM39912;C=NOCC#CC;AFYLEBNKADJCQE-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01909;MM01909;CC#CC#CC=NO;JZBZHZPCTGKEGL-UHFFFAOYSA-N;107.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39913;MM39913;CC#CC#CC#CC;JINAOWUNDFEJHT-UHFFFAOYSA-N;102.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39914;MM39914;C=NN(CC)C(=N)OC;BQLKBRBOVRHROW-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39915;MM39915;C#CC(CON=C)OC;XMYLQIOFXVJXMU-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39916;MM39916;CC(C)=NNC(C)C=CF;MKMVZCVVEVDLAQ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39917;MM39917;C=C(COC)OCC=NN;WIFAJNHHUYIOST-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39918;MM39918;CN(C=N)C(=O)N(N)C=O;LZDUPLNAXRAKOB-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39919;MM39919;C#CC(=O)C(C)(C=O)NC;HQIQQFIWUDPRAE-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39920;MM39920;C=C(C=NNC)N(N)C=O;GWHOPRXBJHIKCC-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39921;MM39921;CC(=O)N=CN(N)C(C)C;FYWWGPSYYZDGAO-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39922;MM39922;C#CCC(CCOC)=NN;NSZFIPUNKQMWTN-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39923;MM39923;CNC(C=O)=NC=COC;RHWGTLARQPICPY-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39924;MM39924;C#CC=NOC(=N)NN;ORQNYUVUPVTLNX-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39925;MM39925;CC(=O)N(O)C(C)(C)C;MYTVCAIHIMZNNT-UHFFFAOYSA-N;131.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39926;MM39926;C#CC(N)C(O)CC#CC;SOAHYKDHRWFDLN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39927;MM39927;COCC=COCC=NN;WNXBWWVUIJSWSM-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39928;MM39928;C=NOCC=NOC;TTYWTZSJLIEXQW-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15355;MM15355;C=C(C(C)F)C(C)(C)O;LFFZNCATOYVVOA-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39929;MM39929;CC(C)C(=O)C(C)(C)O;XWJXXDDXZUVWBY-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39930;MM39930;CC(F)C(=O)C(C)(C)O;YVGHKNMGMSSZEZ-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39931;MM39931;CN(N)C=NC(=O)NC=N;HEZYTCHYUSWECF-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39932;MM39932;CN(O)C(=O)C(C)(C)C;KJMFIZJSQBXPHB-UHFFFAOYSA-N;131.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39933;MM39933;N#CC(O)C(=N)NO;CVTIOROCVFHDBD-UHFFFAOYSA-N;115.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39934;MM39934;CC(C)NCC(F)CO;UUWPRXHBBAUFDP-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39935;MM39935;CN(O)C(=O)C(C)(C)O;LKEDSVVYPHDHLV-UHFFFAOYSA-N;133.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39936;MM39936;C=C(F)C(C)NN=CC;BPOIOBLPZQQELC-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39937;MM39937;CCN(O)C(CC#N)=NC;YUKUEQACCAYFOT-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39938;MM39938;C=C(CF)N(C=O)NC;PASCXEMFINNXMM-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39939;MM39939;CN(O)C(=O)C(C)(C)F;NZDBLPCPPAXDEJ-UHFFFAOYSA-N;135.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39940;MM39940;C=CC(C)(C)NN(C)C=O;VPMOERLZFKGAEJ-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39941;MM39941;CN(C)C(=O)C(C)(F)F;OVHBQCXQQODTAD-UHFFFAOYSA-N;137.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39942;MM39942;N#CCCC(F)(F)C(=N)N;SDIHVJQTFNKMQC-UHFFFAOYSA-N;147.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39943;MM39943;CC(C)(C)C(=O)C(N)=O;SEABOFSECBZAHR-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39944;MM39944;C=C(C(=O)O)C(C)(C)O;YELGYAVYOQYMNO-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39945;MM39945;CC(=O)C(=O)C(C)(C)O;NARMPYMUEZMSEV-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39946;MM39946;CNCC(C#N)=NNC=O;SZWALGKVIDRMOR-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39947;MM39947;C=C(F)C(=O)C(C)(C)O;OQBWUQPFVBYMLB-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4,4-difluoropentane-2,3-dione;MM02807;CC(=O)C(=O)C(C)(F)F;QMRQYYOKVINRNX-UHFFFAOYSA-N;136.1;0.8;87413063;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39948;MM39948;C=NN(CC)CC(=C)C#N;RJXMELAIALOFAP-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39949;MM39949;C#CC(=C)C(=O)N(C)C=N;XVMGSYRPKBECEG-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39950;MM39950;CNC(C#CCO)CCF;FFLXDXGTGARECO-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39951;MM39951;NC(CCCC=O)=NO;FYRTXTUBLJZCMA-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39952;MM39952;N#CC(=C(N)N)N(O)C=N;GIPZJZDCJXBHIE-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39953;MM39953;CC(C)(F)CC(O)CO;XMLVXBKUUQUHHK-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39954;MM39954;C=CCOC(=O)N(C)NC;UHPCUQSOQFETKS-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39955;MM39955;CC(C)(C)CC(O)C=O;TXDUPGNYEDQIFM-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39956;MM39956;CNN(C)C(=O)OCC#N;UUCJBWKWULHVAS-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39957;MM39957;CCN=C(NO)OCC#N;IXMPPQKFIXYCOR-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39958;MM39958;CC(C)(O)CC(F)C=O;ZOANHZOITDYBGR-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39959;MM39959;C=NN(C)C(=CC=O)NC;SMOGHUHVTWEJQJ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39960;MM39960;CC(F)(F)CC(O)C#N;DKMMSARAGLMCIF-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39961;MM39961;C#CC(=CC)N(C=O)NC;OCEDMIZRNXZSPR-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39962;MM39962;C=COCCOCC=NN;DHFIGDXAYKHNEV-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39963;MM39963;CNN=C(OC)C(=N)NO;BNHZVYCEPHGANC-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39964;MM39964;C=NNC(C)C(=C)F;WQTRMLLHBZEGQP-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39965;MM39965;C#CC(C#N)(C=C)NC;XHXCDEGNJKYIJK-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39966;MM39966;C#CC=CN(C=O)NC;JTGIUDAIXOXTCR-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39967;MM39967;C#CC(C#C)C(=NC)NO;AQYDEUMKCFQCIZ-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39968;MM39968;C#CC(O)CC(C)(C)O;RJYWOOVEVLEZNZ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39969;MM39969;C=CN(C=C)C=NC=O;WIQRAHZAISGTBC-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39970;MM39970;C=C(N=CNO)OC(C)=O;UXNICANFPBADSJ-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39971;MM39971;CC(N)(C#CC=CF)CO;BXJACMGLMGBTTE-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39972;MM39972;CCC(=O)CC(C)(C)O;NZOHNQRAGPQKMX-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39973;MM39973;COCOC(C)(C)C=NN;IEBNXYOYVOGAMG-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39974;MM39974;CC(F)(F)CC(=O)CO;ALGYYRXEXNRQCP-UHFFFAOYSA-N;138.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39975;MM39975;C=C(C)CN(C=O)C(C)=N;DWRHZKICEIXKKS-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39976;MM39976;CN(C)CC(C#N)=CCO;JNLUUYARXRWWCP-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39977;MM39977;CC=CCN=C(N)C(N)=O;ZMMFCNIBWSMNIN-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39978;MM39978;CNC(=O)CC(C)(C)O;CMICZBCIJOGIQA-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39979;MM39979;CC(=O)CN=C(N)CF;KRGVVMDVZVGLBK-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39980;MM39980;CC(C)(F)CC(=O)NO;IEPFIKLQTYEQCX-UHFFFAOYSA-N;135.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39981;MM39981;CN(C)N=CC=NOC=O;OVOPRLAOFORBED-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39982;MM39982;C=CN(C=N)C(=O)C(=C)C;HOZGMSOTJRVUEB-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39983;MM39983;CNC(=O)CC(C)(F)F;CPPRQLFPAMCTRW-UHFFFAOYSA-N;137.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39984;MM39984;C#CCOC(=N)N(C)N=C;NHBMUBKQIQMYDY-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39985;MM39985;COC(=O)CC(C)(C)O;JNURPEZKOSMRMZ-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39986;MM39986;CC(C)(C)NC(=O)CO;SGWCSGJBNVWDQO-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39987;MM39987;COC(C)C(C=NN)OC;IETZVBNZQZTXFC-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39988;MM39988;CCNN(C=O)C=COC;APFMFKNOKGCPCD-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39989;MM39989;CCNN=CNOCC#N;XJYWAGQCXGWMTO-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39990;MM39990;CNC(=O)NC(C)(C)C;DFIFVMZOFMQSAG-UHFFFAOYSA-N;130.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39991;MM39991;C=CC#CC(CO)NCC;WMJILMRMEKHJEE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39992;MM39992;CC(C)(C)NC(=O)NO;HWJHRPKZRZGNDH-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl N-tert-butylcarbamate";MM01833;COC(=O)NC(C)(C)C;HBCAQUUDOCPMTB-UHFFFAOYSA-N;131.18;1.14;575684;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39993;MM39993;CC(C)(C)OC(=O)CO;WINGEFIITRDOLJ-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39994;MM39994;C#CC(NC=N)C(F)F;OJMSGUPUNXNTPD-UHFFFAOYSA-N;132.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39995;MM39995;COC(=O)OC(C)(C)C;QRKULNUXBVSTBL-UHFFFAOYSA-N;132.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39996;MM39996;CC(C)(O)CC(=O)C=O;OYDFBAKICJVUQJ-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39997;MM39997;CC(C)(O)CC(=O)C#N;DDYVXENSHZBRNG-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39998;MM39998;C=CC(=O)CC(C)(C)F;ZOVHJGKNDUGTSL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM39999;MM39999;C#CC(=NOC=O)N(C)C;QJJWQAVRMIDVDZ-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40000;MM40000;CC(C)(C)NC(=O)C=O;HZYWBMPTEZGSEH-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40001;MM40001;C#CC(=O)CC(C)(C)O;BSCMHALTOIRCLO-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40002;MM40002;CONC(=N)NO;VMBYUQIAJXLCFQ-UHFFFAOYSA-N;105.1;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40003;MM40003;CC(CC(C)(C)O)=NO;RIGUXCDLUKALKD-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40004;MM40004;C=CC(=NC)N(C=O)NC;MBOKTLOBIQPJJY-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40005;MM40005;C#CC(CF)NC=NOC;ZJUSNMOHBJSYKB-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40006;MM40006;C#CCN(N)C=NNCC;SDFYLYNVIAQXSH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40007;MM40007;C#CC(N=CNN)=NOC;IMSFVAQZUUZREG-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15366;MM15366;CC(=CC(C)(C)O)CF;GVLFFCVXPGYYBV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40008;MM40008;CC(C)(O)C=C(F)CO;YFEFWGIZZVAOJA-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40009;MM40009;CC(C=O)=CC(C)(C)O;RGIBVXKPZFPOCX-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40010;MM40010;C#CCON=CCNN=C;QWMITUBUBCAZCT-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40011;MM40011;C#CC(C=NN)COC;DJWGQZCQPHPXQR-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40012;MM40012;C#CCOCCON=C;VHHLPJHIOBCHND-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40013;MM40013;CC(=O)CCC(C)(C)O;GNNBSAPGFGNCCT-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40014;MM40014;CC(C)(O)CCC(=O)O;PQJUMPXLDAZULJ-UHFFFAOYSA-N;132.16;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40015;MM40015;CCCONC(=N)NO;KYZNKQQZTIWFIR-UHFFFAOYSA-N;133.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40016;MM40016;CC=NNCCOC=O;TUNSLSRBRZOXGC-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40017;MM40017;C#CC(=N)NC(=N)NO;NNROFQVILCOVLD-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40018;MM40018;C#CC=C(C)NC(=N)C#N;YUKKVFCEYWYWRL-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40019;MM40019;C#CC=NOC(=O)C(=N)N;HIWBSITYQDZEFN-UHFFFAOYSA-N;139.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40020;MM40020;CC(=O)OCC(C)(C)O;UITNSGDWEKRBLO-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40021;MM40021;COC=C(C=NN)COC;BRZVGPNJRRKJBR-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40022;MM40022;C=NN(C=NC(C)=N)CC;SQGIOHAXSHXBAR-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-[(2-methylpropan-2-yl)oxy]acetic Acid";MM03720;CC(C)(C)OCC(=O)O;HQLILHPGWSURBT-UHFFFAOYSA-N;132.16;0.89;2760998;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40023;MM40023;C#CC(N=CNN)=NN=C;SRVXZTRFMXUGPV-UHFFFAOYSA-N;137.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40024;MM40024;CC(C)(C)ONC(N)=O;HYIFHHBKPRPXJC-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40025;MM40025;CNN=CCOC(C)OC;SXJAXMFYEWZEPQ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40026;MM40026;CCN(C=N)N=CC(C)=O;UYIAKCIACSYYSU-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40027;MM40027;CCOCOCC=NNC;WZLQLYVGQFKWTG-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40028;MM40028;CC(C)(O)C=CC(=O)O;PDFAAQLHHBQRPO-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40029;MM40029;C=NNCCF;ZFNJFFKKUKSYSD-UHFFFAOYSA-N;90.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40030;MM40030;C=NOCOCC;GASRTJVSDMHCFK-UHFFFAOYSA-N;103.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40031;MM40031;CCC(=O)CN=C(N)CF;PLNBMCSRYHHPAP-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40032;MM40032;CNN(C=O)C(=O)C(=N)N;OMWDFKFOCCVREC-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40033;MM40033;CCC(F)(F)C(=N)N;CWORDIRTPWGYNL-UHFFFAOYSA-N;122.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40034;MM40034;CC(F)(F)C#CC(N)=O;CIYUPCNUCHMGIG-UHFFFAOYSA-N;133.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40035;MM40035;C=NNCCOC=O;APJPSQFWKPEROC-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40036;MM40036;NC(=O)C#CC(F)(F)F;NMPCGOFEGCBPCX-UHFFFAOYSA-N;137.06;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40037;MM40037;C=C(C=NN(C)C)CF;DQRMQBHTDQKFCQ-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40038;MM40038;N#CC(F)=C(F)C(=N)N;BQKPZMOGBVGIGA-UHFFFAOYSA-N;131.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40039;MM40039;C#CCN(C=NC)N=C;MOSFRNWOUIWLHN-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40040;MM40040;CC=NN(C)CC(=O)OC;CJJFRHSKWOKEPW-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40041;MM40041;CON(C=N)C=NNC=O;FPJNHZKYUBEPNN-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40042;MM40042;CN=C(N)C(C=O)=NO;NZRBSUFKUHMVOV-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40043;MM40043;C=NNC(=NC=N)NN=C;WPOXBWOFLYVMEW-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40044;MM40044;CNN=CC(C=CN)=NO;GEDFVOIYLIXWEX-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40045;MM40045;C#CC=CC(=N)N(C)O;AVEYSOIYNREBFN-UHFFFAOYSA-N;124.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40046;MM40046;CC(F)CC(C)(O)CO;JEFVRGMZMBJYPK-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40047;MM40047;C#CC(C)C(=O)CNCC;VCFISEGUAYENBL-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40048;MM40048;C=NN=C(NN=C)NNC;CNZBTIMZVCQUTG-UHFFFAOYSA-N;142.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40049;MM40049;CNNC(=NO)NO;OEJLBGXQLNWDMB-UHFFFAOYSA-N;120.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40050;MM40050;CC(O)CC(C)(F)CO;AQDOZJHOPNUTLR-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40051;MM40051;CNC(=NO)N(C)OC;KFCVFSMQSAIZRC-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40052;MM40052;CC=NN(C)C(C)=NC=N;SVZHIDOFFJBPSI-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40053;MM40053;CON=C(C=CN)OC=O;XDEONKMPVNQHNO-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40054;MM40054;CCCNC(=NO)NO;YEFJGDRYJOEKAX-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40055;MM40055;CC(F)CC(C)(O)C=O;XAMPMTGBZIWSJM-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40056;MM40056;CC(O)CC(C)(F)C#N;TYUSBPHWGUDVNO-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40057;MM40057;CC(O)CC(F)(F)C=O;AJQFRRJTTHZFSY-UHFFFAOYSA-N;138.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40058;MM40058;C=CC(=N)N=CN(C)N=C;MJXXMZNTQMCONR-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40059;MM40059;C=NN(C)C=NC(C)=NC;VDYWWISOICOBCJ-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40060;MM40060;CNCC(CC=O)=C(F)F;HDETYLMBWKCBIN-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40061;MM40061;C#CC(C)(N)C(=C)CCO;FYLKZBVBXGUJON-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40062;MM40062;CN(C=O)N=CCC=NN;FAIJSEHKSHVGSY-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40063;MM40063;C=NNCC(CF)=NNC;MFBPKLJGHZROFX-UHFFFAOYSA-N;146.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40064;MM40064;C=CC(C)=NNC(=N)CO;KSJBYJFUCYCQIK-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40065;MM40065;CNN=C(CO)NCC#N;IZKONGGSNFQKMJ-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40066;MM40066;C#CC(C)(O)CC(C)O;ZLQDXXAPLOIEMU-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40067;MM40067;C#CC(C)(F)CC(C)O;DBWHDQIHGVOKCE-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40068;MM40068;C=NNCC(=NN)C(C)F;FKTLQRDEAFZISD-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40069;MM40069;NN=CC=CCF;PGHAMSMQMGIORI-UHFFFAOYSA-N;102.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40070;MM40070;C=CC(=NN)OC(=N)NO;QBOZKQJCEHTNOM-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40071;MM40071;CC(=O)CC(C)(C)CO;ZTNAKDVIWREFEK-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40072;MM40072;C=NNC(C)C=CF;YBVQNSKIQAQCHZ-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40073;MM40073;CNC(C)(C#N)C=O;UUPWQLWFASQKGE-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40074;MM40074;C=CN(O)C=NN;WNATWZAWBMECKI-UHFFFAOYSA-N;101.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40075;MM40075;C=CN(C)C(=NOC)NO;QKYPXITXBPUJCF-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40076;MM40076;CC(=O)CC(C)(O)CF;WAXJTMVEXYLZPD-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40077;MM40077;CNC(=NOC)N(C)O;RTPZBWXLGHLYNG-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40078;MM40078;CCC(C)(O)CC(N)=O;HKIHPMYQLRLTHB-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40079;MM40079;C=C(F)CC(C)(O)CO;MAEPUXFRTKYKKB-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40080;MM40080;CC(=O)CC(C)(F)CO;XLLOQQQYDCTJGX-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40081;MM40081;COC(C)C(C)=NN;JYSNRRLMBPTZOY-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-fluoro-3-methylpentanoic Acid";MM01602;CCC(C)(F)CC(=O)O;XFJHVORMWMBOKB-UHFFFAOYSA-N;134.15;1.6;83815066;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40082;MM40082;CC(F)(CO)CC(=O)O;PUCUOJQZBBGBKF-UHFFFAOYSA-N;136.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40083;MM40083;CCC(CCF)=NN;TXEFHSDWJSMRMX-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40084;MM40084;C#CC(N)C(C#C)CCO;YSJVUIWEYHOQOE-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40085;MM40085;C#CCN=CN(C)N=C;IYEOIDAPGHSPLK-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40086;MM40086;COC(C)(C)CC(=O)O;AGQCQAYKDWYIKI-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40087;MM40087;CC(=O)NC(C)(C)CF;KTMWSTKPLKYFDI-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40088;MM40088;CCC(C)(C)NC(N)=O;OVUWGANMOQIFHZ-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40089;MM40089;CON=CCNCC#N;ZDXLYNQQFUKIBG-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylbutan-2-yl Carbamate";MM01834;CCC(C)(C)OC(N)=O;AUQKXXDHDKEBEY-UHFFFAOYSA-N;131.18;1.27;68533;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40090;MM40090;N#CC(=CCCO)NC=N;RFEPEZQOYGYIGB-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40091;MM40091;CC(C)(CF)OC(N)=O;SSJQWNIBUFNBBQ-UHFFFAOYSA-N;135.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40092;MM40092;COC(C)(C)OC(C)=O;AIWQKIZRPSRBQA-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40093;MM40093;NN=CC=CCOC=O;RWDKBDHTEYTHLD-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40094;MM40094;COC(C)(C)OC(N)=O;CQLWVQIUDHDAAD-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40095;MM40095;C=NNCCC(N)=CC#N;HNVCZQITFSAXSO-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40096;MM40096;C=NN(C)C=NC(=N)CC;FYOIAUGVGLIOKB-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40097;MM40097;C#CC(=N)N=C(C)N(C)O;MDVCNWJHOPTXJN-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40098;MM40098;C=C(C)CC(C)(O)C=O;SCCCIXIILRCCCR-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40099;MM40099;CC(=O)CC(C)(O)C=O;ZWRMEYSYDMGCIE-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40100;MM40100;CC(=O)CC(C)(O)C#N;KUGQPPJLJJVNKB-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40101;MM40101;C=CC(C)(O)CC(=O)O;JZWQNRBDWROLMD-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40102;MM40102;C=NN(C)CC#CC=NN;ICEHPRWRTFZOOT-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40103;MM40103;COCCC(C=NN)OC;LVYPIWFNMIJECH-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40104;MM40104;N=C(N)C(F)F;RBTHHWTYEDYOBS-UHFFFAOYSA-N;94.06;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40105;MM40105;CC(F)(C=O)CC(N)=O;UOOWMPPZPJESRP-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40106;MM40106;C=C(C)CC(F)(F)C=O;DBHPOBGKDNBDPG-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40107;MM40107;CC(C=NN)CF;LLAPKZAKHXVJQQ-UHFFFAOYSA-N;104.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40108;MM40108;C=NNCC=C(C)F;DUFPWQFSCAKNQX-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40109;MM40109;CC(=O)NC(C)(C)C#N;LKIVSDJTIHCTLP-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40110;MM40110;CC(C)(C=O)NC(N)=O;DZIQELOEQJSMNE-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40111;MM40111;CC(C)(C#N)NC(N)=O;YXQULVBERHFXJX-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40112;MM40112;C=NOC(=O)C(=N)N;QTFJPNSRZAMGER-UHFFFAOYSA-N;115.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40113;MM40113;C=NNCC(C)=CF;LWOZDECFLLQMTM-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40114;MM40114;CC(C)(C#N)OC(N)=O;LXLXFMIEWDNWRB-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40115;MM40115;C=NN(C)C=CC=O;WSWUHMONCYJVGT-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40116;MM40116;C#CC(C)(C)CC(N)=O;DIJDMVHQDXMHOO-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40117;MM40117;C#CC(C)(O)CC(C)=O;JBQOVKMQYBIUKC-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40118;MM40118;CCC(CC)=NOC;YKOMOGKWTRYSHD-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40119;MM40119;C#CC(C)(C)NC(C)=O;XZISYAHJULRTFY-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40120;MM40120;C#CC(C)(C)OC(N)=O;SDJNOBUNFYNROE-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40121;MM40121;C=CCOCON=C;FFDZDEFGPRVWKC-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40122;MM40122;C=C(C)C(N)C#CCCO;LKUILUDSJQEQER-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40123;MM40123;C#CC=C(C#N)C(=N)NO;GCFKVRFJFHGMEI-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40124;MM40124;CN(C=N)C(=O)C=CF;WAUDEVXDUVRYDF-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40125;MM40125;CNC(=NC=O)NCC=O;YJXKEUTUOKMTEW-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40126;MM40126;C=NNC(=NC)C(=C)CO;AZAMLZXVBXXMPJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40127;MM40127;CC(C)=CC(C)(O)CO;AAJOLKWXKIUTHA-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40128;MM40128;CNC(C#N)C=NOC;CIWJCZVDVVDKHO-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40129;MM40129;C#CC=NN=C(NC)NC;DPFZBDPKEOUGOI-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40130;MM40130;C=C(C=O)CN(C)CC#N;BDCHANIBIIDGSY-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40131;MM40131;CC(=NNCC#N)NC=N;SAGTVMCEHJREGE-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40132;MM40132;N=CN(OC=O)C(=N)N;AGTQWWQROQKMTM-UHFFFAOYSA-N;130.11;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40133;MM40133;CCC(=O)C(CF)N=CN;FGAOROMOGALRBA-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40134;MM40134;CN(O)C=NOC(=N)NN;SCKNBGIFFVLDCN-UHFFFAOYSA-N;147.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40135;MM40135;CCCC(=NN)NC=N;JTQZGKVWMSZNDG-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40136;MM40136;CC(C)(O)C(C)(O)C#N;PXFIBOYUGRGMLL-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40137;MM40137;CC(F)(F)C(C)(O)C#N;DHCCTGQDRXCTNY-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40138;MM40138;C=C(C=NN)OCC=NN;NUNVARQSNVYJOP-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40139;MM40139;CC(C)(O)C(C)(F)C=O;KIWICCYWULMRLY-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40140;MM40140;N=CNC=NN=CC(=N)N;IUFBBHZKHLJXPJ-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40141;MM40141;C#CCN(C)C(C)=NC=O;IJPSBHDRRWLAAZ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40142;MM40142;C#CC(C)(O)C(C)(C)O;DNGHNLPQAQCIRR-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40143;MM40143;C=CC=NOC(=O)C(=N)N;SDFRKTLZYZNANU-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40144;MM40144;C=CN(N)C(=N)C(N)=O;DHKOHYWJUFKCDG-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40145;MM40145;CCON=C(C)NCC=O;UWWZTYQFUHIAHL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40146;MM40146;C=C(C=NN)N(N)C(C)=O;XGMXPZBTMBQMJN-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40147;MM40147;C#CCC(F)C(=N)NC=N;MHNKEUMMUGYYSW-UHFFFAOYSA-N;141.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40148;MM40148;C=NOCC(C)(C=O)OC;ARLUUNBLBLBWCK-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40149;MM40149;COC(=O)C=CCC=NN;OWNLXISBANDUEE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40150;MM40150;C#CC(=N)N=CNC=N;UKZYFOHWMGAWSE-UHFFFAOYSA-N;122.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40151;MM40151;CC#CC(=N)N=CNC=N;SCHULZBGKRPFRO-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40152;MM40152;CC(C)(F)C(C#N)CO;MSCCURHWNLQHJG-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40153;MM40153;C#CC(COC)NCC#N;GVGOGSDLPPEEPV-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40154;MM40154;C=NOC(=NNC=N)OC;QIAHHUXHMNBXBU-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40155;MM40155;COC(C=O)C(C)(C)O;RRGXFUYIYANROT-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40156;MM40156;N=CN(C=NC=O)OC=O;QVGYBUFKCMSSKX-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40157;MM40157;C#CC(C=NNC)COC;YXKCOTZMKWNLOT-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40158;MM40158;C#CC(=O)N(NC)C(=C)C;KSHPCXPOVHZGSC-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40159;MM40159;CNN=CN(C)C=NNC;CDFGJFIUNHPIHE-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40160;MM40160;C#CC(CO)C(C)(C)O;DNDKSPSZHUTQIS-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40161;MM40161;C=CN(C=NNC)CC#N;OATFQQLZDZZUHG-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40162;MM40162;CCON=CC(C#N)NC;JNZZYKVSQZUWJS-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40163;MM40163;C#CC(OC)C(C)(C)O;KVGYHFPXOADSEM-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40164;MM40164;CC(C)(O)C(C=O)C=O;KUDJOUWTVVJZRR-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40165;MM40165;CC(C)(O)C(C#N)C=O;FUTLFOBPAKHIRS-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40166;MM40166;CC(C)(O)C(C#N)C#N;SPUZBLJDZDQNGW-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40167;MM40167;C=CC(C=O)C(C)(C)F;WAKDBFFMTGBSNG-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01829;MM01829;CC(F)(F)C(C#N)C#N;AKZBSTVCSUWKCJ-UHFFFAOYSA-N;130.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40168;MM40168;NN=CCC=CCOC=O;LDJGKECHQVHVSL-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40169;MM40169;CC=NNCCF;QOHFQLIMPMCNCF-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40170;MM40170;C#CC(C=O)C(C)(C)O;BWWDKTADTZZANH-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40171;MM40171;C#CC1CN1N=C;ORVPORSXQWUPNV-UHFFFAOYSA-N;94.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40172;MM40172;C=COC(=CC=O)NC=N;UCDOBUXOZAZZND-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40173;MM40173;CCC=NN=CNNC;JLPVHSHVWRSKSS-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40174;MM40174;CC(C)(C)C(CO)=NO;VZQQDXGQYXPCCI-UHFFFAOYSA-N;131.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40175;MM40175;C=CN(C(=C)C#N)C(=N)N;FLSSQMXMUHYOFC-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40176;MM40176;CCC(C)=NN=CNNC;OCZCCWPWFGLZCQ-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40177;MM40177;CC(C)(O)C(CO)=NO;OXVGYJKXOAHBJN-UHFFFAOYSA-N;133.15;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40178;MM40178;CC=NN=C(C)N=CNN;SVOZTYQZKZMFBX-UHFFFAOYSA-N;141.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40179;MM40179;CC(C)(O)C(CF)=NO;WMMXMYNHNDDGOH-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40180;MM40180;CC(C=CN)=NOC=NN;TZUSJILYSHPVSM-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40181;MM40181;COC(C=NN)C=NN;UUGMIZVVHKBMOB-UHFFFAOYSA-N;130.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40182;MM40182;CC(C)(O)C(=NO)NN;XLDUMLSZKSARGA-UHFFFAOYSA-N;133.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40183;MM40183;CC(C)(O)C(=NO)NO;JKHSEPUWPQVNQB-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40184;MM40184;C=C(CNCC)OC=NN;CRUHJTFGBIWZJQ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40185;MM40185;C=NN=C(C#N)C(=N)NC;JVLMZQGCAOQKIP-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40186;MM40186;CC=NNC(=N)COC;KYNROWVPZUBTBJ-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16085;MM16085;CC(F)(F)C(C#N)=NO;QCVTUPSEBHXAEO-UHFFFAOYSA-N;134.09;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40187;MM40187;C=NNC=NC;CUBQBXWSUFPLNX-UHFFFAOYSA-N;85.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40188;MM40188;C=COC(C=NN)C=NN;ZRLZBPVIUCYUHR-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16279;MM16279;C#CC(=NO)C(C)(F)F;MRBKYWHWIUZKMD-UHFFFAOYSA-N;133.1;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40189;MM40189;C=CN(C=O)CC(C)=NN;FLJPHYQZCCPRMB-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40190;MM40190;C=C(C)N(NC)C(=O)OC;PYBDDVZSMNUEJQ-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40191;MM40191;C#CCCNC(C#N)CF;BSPLPAYMOUKETM-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40192;MM40192;C=NOCOCC=NNC;CVGZMJXWAVUNDH-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40193;MM40193;C=NOC(C)(C)OC;SQUISUHAMUJZCI-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40194;MM40194;CC(=O)N(N)C(C)(C)C;BHIWNCFSOFNUBG-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40195;MM40195;CC(C)(O)COCCO;NIOYEYDJTAEDFH-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40196;MM40196;CNN(C)C(=O)N(C)N;LWYTUCPMGZFCPR-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40197;MM40197;CC(F)(F)COCCO;AVQVXGYXTRGWMU-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40198;MM40198;COCC(C#N)=CN(C)C;VZNRNWXDZCYEPI-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40199;MM40199;C#CCNN(C)C(=N)C#N;HCTYVJHOMXVQPY-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40200;MM40200;CCNN(C=N)C(=O)CC;AYZVSOLALDJSJB-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40201;MM40201;N=C(NN)C(F)=CF;QTDLMYBDRZGLJQ-UHFFFAOYSA-N;121.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40202;MM40202;C=CN(C=O)NC;PIRYMZSTSMQHTP-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40203;MM40203;C=NOCC(=C)C=O;IJDYOFZRHLQLAB-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40204;MM40204;C#CCC(=N)N(N)C=NO;VGPPKNYFHYVKKX-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40205;MM40205;CC=CN(C=O)NC;SUMICZBZIVMTEE-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40206;MM40206;CC(C)(O)COCC=O;ZLTUASIGJKYXFG-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40207;MM40207;CC(C)(O)COCC#N;CLXMNCFSNAOSFF-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40208;MM40208;CC(F)(F)COCC#N;ABWZJVSMVOLUBP-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40209;MM40209;CC(C)(O)CONC=O;SVEWBBVHIULTFC-UHFFFAOYSA-N;133.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40210;MM40210;CC=NOCCOC;ZNMBAAPANINLJU-UHFFFAOYSA-N;117.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40211;MM40211;C#CCOCC(C)(C)O;RCLMEGBFUURZCS-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40212;MM40212;C=NNC=NCC(C)(C)N;HYAIQZBTPUKENS-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40213;MM40213;CN=CN(N)C(C)=NO;OYJLTTGDPNNTCD-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40214;MM40214;CC(C)(O)CCC=NO;TZNPGUCIVVRDFG-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40215;MM40215;CC(N)=CC=NO;VZHUCEGMECSVJM-UHFFFAOYSA-N;100.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40216;MM40216;C=C(C=NNCC)CF;ULZPNRLYZYHYJY-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40217;MM40217;CC=C(C)C(=N)NC(N)=O;LTJPLAPPSKZMKZ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40218;MM40218;CC(C)(C)NN(C=N)C=O;JKIGQIRBKXURRC-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40219;MM40219;C#CC(=NO)N(N)CC;VHPMKOZFSWAHOJ-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40220;MM40220;C#CC#CC(=NC)NO;IINLXYIZKRLFTQ-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40221;MM40221;CC(F)(F)COC=NO;ZLNDWSKGOUPFEH-UHFFFAOYSA-N;139.1;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40222;MM40222;COC(C)(C)C=NN(C)C;FPTCNMQYJWJPDG-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40223;MM40223;N#CCC(F)C(=N)NC=N;HKJHWUBZICATLV-UHFFFAOYSA-N;142.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40224;MM40224;CC(C)(C)OCC=NO;AEQSTRZPOWXHQB-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40225;MM40225;COC(C)(C)OCC=NN;FALDIEDOUPZHER-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40226;MM40226;C=CCN(O)C(C)=NN;YAPBJYOTXAUNPK-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40227;MM40227;CN(C)C(=N)C(F)C#N;CWEASCLQZZQLEV-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40228;MM40228;C=CC(=N)N=CN(C)O;VCUHXBMQTSYRQL-UHFFFAOYSA-N;127.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40229;MM40229;COCC(C)OCC=NN;GKSRHCKLJMZTKF-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40230;MM40230;NN=CN=C(C=CF)NN;CRJMHFDYZCTOMO-UHFFFAOYSA-N;145.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40231;MM40231;CC(C)(O)CC#CCO;CHYABCFNTXGVBJ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40232;MM40232;COC=C(C)N(N)C=NN;MKMGXCIIBZRULW-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40233;MM40233;C=NNC(=N)COCC#N;XRCFEUHSPXHNJS-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40234;MM40234;C=CC(=C)CC(C=O)NC;FKQKBDFNTCNLGD-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40235;MM40235;COC(C)COCC=NN;IHBBSUNOVZUWBJ-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40236;MM40236;COC(=N)N(CC#N)OC;APJOVLNEGUJXIJ-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40237;MM40237;CC(C)(O)C=CNC=O;XWTWJKFBICLKGD-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40238;MM40238;C=C(C=O)C(C#N)N(C)C;YZZUOEFHLZXONE-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40239;MM40239;CC(F)(F)C=CNC=O;CDRRPELLXXPTRN-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40240;MM40240;O=CNC=CC(F)(F)F;RBZIEDQVMAUNNZ-UHFFFAOYSA-N;139.08;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40241;MM40241;CNC(C#N)=NCCOC;ZWGGVDWTJPQJCT-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40242;MM40242;C=NNC(C#CCF)CN;AFOKLFVHVYXVMC-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40243;MM40243;CC(F)(F)C=NNC=O;PPFFDFGJWVEKNG-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40244;MM40244;CCCNC(C)C=NO;YCIUXWYEQRDYCW-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40245;MM40245;CNN(C=O)C=CCC#N;YFEALAXFTGLIFI-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40246;MM40246;C=NNC(=N)CNCC#N;IBHUFGZPPCBSJM-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40247;MM40247;CC=CC(=N)N(C=O)NC;HUIRSLCLAAXIMS-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40248;MM40248;CON=C(NN)C(C)=CN;SJIXHHWMJJFXKS-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40249;MM40249;CC(C)(O)C#CCCO;LJDYMWVPSBFACI-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40250;MM40250;COC=NOC(=N)NN;WWDBRDNGHHORFA-UHFFFAOYSA-N;132.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40251;MM40251;CC(C)(O)C#CC=NO;TVIKYAWPYBZSDI-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40252;MM40252;CCOCCOCC=NN;CPFNVNJAULQZTP-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40253;MM40253;CC(F)(F)C(=N)N;YPZXTESEBLYFRJ-UHFFFAOYSA-N;108.09;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40254;MM40254;CCOC=NOC(=N)NN;JQWXMCAIYZLGIE-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40255;MM40255;C=COC=NOC(=N)NN;GYFKWORZOUSBGF-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40256;MM40256;CC(C)(O)C(F)CCO;QLUGPYWTSBBCMO-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40257;MM40257;CN(C)N=CCCF;QOGRJVHAIXHGOW-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40258;MM40258;CCN=C(NN)OC=O;WEZTUNXHGZOXJC-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40259;MM40259;C#CCN(C=N)C=NO;IQNPDAOIEJDCOO-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40260;MM40260;CON=CC(F)=CN;HUXHLNJAEKIUNL-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40261;MM40261;C=CC(CCF)=NN;KQXNEYMZEGIFMC-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40262;MM40262;CNN(C=NO)CCC#N;SEFVTDPWGDEXID-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40263;MM40263;C=CC(C=NNC)OC;XYFQCKKQBBNFGJ-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40264;MM40264;CC(C=NN)(C=NN)CF;DFLZAUFZAVKYAO-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40265;MM40265;COCC(O)C(C)(C)O;IYZBBNMXHSSHER-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40266;MM40266;C=COC(=O)CN(C)N=C;MGKXAJRZCLGMJX-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40267;MM40267;C=CCC(NC)C(C)=NO;CAJLETNGBVUXDA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40268;MM40268;NC=CC(C=CN)=NO;YNRGSIRPFJJGFU-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40269;MM40269;CC(C)(F)C(O)CC=O;LXKVYEJHUQKHOI-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40270;MM40270;CC(F)(F)C(O)CC#N;BEEPHQYBNHUKEK-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40271;MM40271;CC(NC=O)C(C)(C)O;PRNSCADZTYXRNM-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40272;MM40272;CNN=CCCOC(C)=O;VGCDHBFQEKJHLP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40273;MM40273;CNC(=NO)NO;BDIXXIUOZJVFGQ-UHFFFAOYSA-N;105.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40274;MM40274;C=CC(=O)C(C)(C#N)NC;JLSFBVKLRRRKCZ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40275;MM40275;CNC(C)(C=O)C(=O)C#N;NPSGXCYYLWVKRR-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40276;MM40276;CNC(C)(C#N)C#CC=O;SOKUQNZOUJAPNW-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40277;MM40277;C=CC=NN(C)C(=N)OC;PJRIEIPVONQNCL-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40278;MM40278;C=CCC(O)C(=N)NN=C;FZOFAXYIJVVQJI-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40279;MM40279;C#CCC(O)C(C)(C)O;HELUPOIMHTZUBZ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40280;MM40280;C#CCC(O)C(C)(F)F;VGJMSNCKQDVPPY-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40281;MM40281;CC(C#N)NCC#CC=O;RZINNPISBIIZID-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40282;MM40282;CCCC(=O)C(C)(C)O;GNCLRKKUBIBTON-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40283;MM40283;CC(C)(O)C(=O)CCF;QODVURIJRIQTMJ-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40284;MM40284;CC(C)(F)C(=O)CCO;CZHWPIRRBGVFQE-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40285;MM40285;C#CCN=CN(C=N)N=C;YKYLQFJMWQOUJG-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40286;MM40286;CN=C(OC)N(C)O;YCDKRJPWEMZOFH-UHFFFAOYSA-N;118.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40287;MM40287;CCC=NNCCOC=O;ZCTGOMIFNAHYJN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40288;MM40288;CCNC(=O)C(C)(C)O;DIZHGPJWAFTWBG-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40289;MM40289;CCC(C)=NOC;CYKDEJOBIIVIQD-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40290;MM40290;COC(C)(C#N)C(=N)NO;LMDUZKFPPWMYGB-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40291;MM40291;CCNCC(C)=NO;XKGBVORWTPANAS-UHFFFAOYSA-N;116.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40292;MM40292;CONC(=O)C(C)(C)O;ILKYKJPLBDTOIO-UHFFFAOYSA-N;133.15;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40293;MM40293;CC(CCCF)=NN;KLANWLOUCDKOLX-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-fluoro-N-methoxy-2-methylpropanamide;MM03408;CONC(=O)C(C)(C)F;YSVTWJGKVFUEEC-UHFFFAOYSA-N;135.14;0.41;130165047;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40294;MM40294;CC(C)(C=O)NCC#N;SERWSWFGKFYABO-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40295;MM40295;C=CCC(=O)C(C)(C)O;NJMIAKYWQLACEE-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40296;MM40296;CC(C)(O)C(=O)CC#N;JCORWCBWKQNYCZ-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40297;MM40297;CCCC(=N)NC=NO;MJROZWCTPBUPQI-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40298;MM40298;CC(C)(C)C(=O)NC=O;XMGHBQXLKZUOOQ-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40299;MM40299;CCNC(=N)NN=CC#N;UTEFBRJYOWNHMR-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40300;MM40300;C=C(NC=O)C(C)(C)O;NAJAVPDKRYLFHE-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40301;MM40301;N#CC(F)CNCCC=O;DNSPTHRASBJARX-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40302;MM40302;C=CNC(=O)C(C)(C)O;YEEAYBPWQIUWGT-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40303;MM40303;COC(=O)N=CN(C)C;AIEYRRTZNCAQEM-UHFFFAOYSA-N;130.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40304;MM40304;CC(C)(F)C(=O)NC=O;HFVTZOMNFKBUPW-UHFFFAOYSA-N;133.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40305;MM40305;CC=NN(C)C(=N)OC;OKVWUFMKRHDYCB-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40306;MM40306;C=C(NC=O)C(C)(F)F;GALIUPXYZAVLGW-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40307;MM40307;C=NNC(C)(CF)COC;VDNVEPJRLAQKFE-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40308;MM40308;CC(F)(F)C(=N)NC=O;OPYBKKUWXBTNJM-UHFFFAOYSA-N;136.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40309;MM40309;CC(F)(F)C(=O)NC=O;UTSLAISBWHFBKA-UHFFFAOYSA-N;137.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40310;MM40310;CON=CNC(N)=CC#N;OVEBZDYNTGDCEH-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40311;MM40311;C=NNC(=O)C(C)(C)O;JZZKIQYUOOQGLH-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40312;MM40312;COC(=N)NC(C#N)=CN;DADDPKRCOXNBBC-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40313;MM40313;CCC(C)NN(C=N)C=O;WDCAMFPAZMVRDV-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40314;MM40314;C=C(C(C)=NN)N(C)C=O;JTBSJVHLLRVLTP-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40315;MM40315;C=NOCOC=CC=NN;VTTIXNQNYYDUGF-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40316;MM40316;C#CC(=N)NC(=NN)OC;KKXZPNJWNSIZMH-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40317;MM40317;CNN=CCN(N)C=O;HCIOGNFMDDQZGR-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40318;MM40318;C#CCC(=O)C(C)(C)O;PROZDWYHDBEVCJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40319;MM40319;CCNN(C)C(=O)OC;WQBGYORVPQJWBO-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40320;MM40320;C#CC(=NN)C(F)=CN;PZNXNMAUJAKKPZ-UHFFFAOYSA-N;127.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40321;MM40321;CCNC(=NC(C)=N)OC;YLAQGQHDSYRHGJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40322;MM40322;COC(=NC=N)NC(C)C;KWSULSKFSYSDAY-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40323;MM40323;C=NN=C(C=CN)N(C)N;JQTJIGRUZFXYAC-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40324;MM40324;CC(F)(F)C(O)C=NN;HEXCNCVUWGFJIW-UHFFFAOYSA-N;138.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40325;MM40325;CC(C)(O)C(=O)C=CF;VODTTWVXWRDARQ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40326;MM40326;CC(F)(F)C(=O)C=CF;YIYHPSGNKAQGSN-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40327;MM40327;C=C(C)CNN(C)C(C)=O;AJENNIKUKIDQLI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40328;MM40328;COC(C)=NOC(=N)NN;HFGGIDIUANBQIU-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40329;MM40329;C=NOC=NOC(=N)NN;AAZXMVFFTCKUAQ-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40330;MM40330;C=COC(=C)NC=NOC;DSGXSUZZZCSKPB-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40331;MM40331;CC=C(C)C(=NO)C(=N)N;FZXPHABGMCQZTH-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40332;MM40332;CCNN(C)C(=O)OCC;DZNRXDYBWFYPCU-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40333;MM40333;C=C(OC)C(=NOC)NN;PKCBQNNWHRUGQX-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40334;MM40334;C=C(C)CNN(C=O)CC;AMSOFIJKRGIBQY-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40335;MM40335;CNN=CCCC(=O)OC;AYAMMPRZECDTKE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40336;MM40336;CCC=NNCC(C)=CF;UZTMEYYLMKBUCC-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40337;MM40337;C=C(CF)N(C=O)NCC;BQNVLWKSJKZHMB-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40338;MM40338;NN(C=NO)CC=NO;NXKTXZYSFRDSKH-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40339;MM40339;C=NOC(=N)N(C=N)C=N;XXNKSLJZWKKAFX-UHFFFAOYSA-N;141.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40340;MM40340;CC(O)(CCO)CCF;KUXKLQRHXAHZRV-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40341;MM40341;C#CCC=NNCCOC;RFODCLYGJRJLCC-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40342;MM40342;CC(F)(CCO)CCO;COSOVNDCLAGNMB-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40343;MM40343;CN(C=N)C=O;FFZSWYDSBFSGON-UHFFFAOYSA-N;86.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40344;MM40344;NN=CCCCF;BUNKERYAJRHYFA-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40345;MM40345;CC=NN(C)CCF;ORZHOILGXZCNMR-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40346;MM40346;C#CC(=N)N(C=C)C=NO;UWKSOMUCMPMWEU-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40347;MM40347;C=C(C=NN)N(C)C=O;JQOKXZGWLRTOQO-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40348;MM40348;N=C(NO)C(=NO)NO;RFWWEDXHMWURRZ-UHFFFAOYSA-N;134.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40349;MM40349;CNC(NC)=C(C)C#N;COCUSDWHTHUPHV-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40350;MM40350;C=NOCC(OC)OC;OFQBHCSGIZUKAO-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40351;MM40351;C=CC=CN(C=O)NC;UHIBCLIWQSLUBZ-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40352;MM40352;COCC(C)(F)CCO;VVNWURAXJGMQTP-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40353;MM40353;CN(C=CCF)C=NC=O;AEKRNAGCGWMRFL-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40354;MM40354;C#CCN(NC)C(=O)C#C;IEKNDTKPUFJCJG-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40355;MM40355;C#CC=CN(C=O)NCC;HRCVYOMWEFWEOT-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40356;MM40356;CCN(C(=N)C=O)N(C)C;GPMDILAWRVPELM-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40357;MM40357;COCC(C)(O)COC;PEOVNYFEUUJVLV-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40358;MM40358;COCC(F)(F)COC;VAKJNCZPLSWHRI-UHFFFAOYSA-N;140.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40359;MM40359;C#CC=NNCCC=NN;DIJVOYUOQCLSIR-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40360;MM40360;C=NNCC=NOCOC;OSUREKCJIRRUPB-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15363;MM15363;C=CCC(C)(O)CCF;RWWBQXUQXLTXQR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40361;MM40361;CC(O)(CC=O)CCF;RCAQQAORXPZENF-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40362;MM40362;CC(O)(CC#N)CCF;MLNYFCSSFFKASA-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40363;MM40363;CC(F)(CC=O)CCF;PFIHYSHLDOATHF-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40364;MM40364;C=NNC(C)(C)C(=C)F;XQMVYMXDXGVGGT-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40365;MM40365;CCC(=NC)N(C)C=O;CBHSZHDUUCBTCZ-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40366;MM40366;CN(C)C(CCC#N)=NO;UOPYKYPEFRDXIV-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40367;MM40367;C=NN(C=CC=O)CC;NIVYAXORIIKBEP-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40368;MM40368;COCC(C)(O)CC#N;ZVALCAROLMSNAD-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-fluoro-4-methoxy-3-methylbutanal;MM02681;COCC(C)(F)CC=O;LVYBWZYUSNZEDX-UHFFFAOYSA-N;134.15;0.95;123886693;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40369;MM40369;C#CCC(C)NN(C)C=O;OIXJLYUXAQLMPQ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40370;MM40370;CNCC(O)(CO)CC#N;SXJSJAKSPAVELY-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40371;MM40371;CC(=N)N(C=O)C=C(C)C;IAANIENXDWOYMM-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40372;MM40372;CC(=NO)N(C)CCCO;JEBMOHWYLRJZJU-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40373;MM40373;C=NNCCOCC(C)F;HYCCOTLKVJICNN-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40374;MM40374;CC=NNCC(C)=C(C)F;VEGZOXYRWRBADH-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40375;MM40375;C=NOC(C=NN)C=NN;PWFBOSGCXFUJAZ-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40376;MM40376;CC(=N)N(C(C)=O)C(C)C;PHJCBCGGUOCFNM-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40377;MM40377;C=CC(=O)C=CN(C)N=C;ZTVZGYNXPNMBMZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40378;MM40378;CC(C)CNN(C=N)C=O;SFMCBHXGUMXFRO-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40379;MM40379;C=NNCC(F)CCOC;SEXCDYVGMZMOOV-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40380;MM40380;C#CCC(C)(O)CCF;AEFLXRFQPJWBAU-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40381;MM40381;C=CCOC(=N)N(C)N=C;VGYANVPQHQFXBC-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40382;MM40382;CC(C)(N)C(=O)NC=CF;HNXZXDKXFVVAFP-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40383;MM40383;CCNC(=NO)N(O)CC;IAAJVMMMSRMZDW-UHFFFAOYSA-N;147.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40384;MM40384;CN(C=O)C(=N)C=CCF;AQVYGFADBKMMPA-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40385;MM40385;CC(C)(CC#N)CC#N;BXMUYUTXXSJYHR-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40386;MM40386;C=CCC(C)(O)CC=O;XUKKRIIESROFAA-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40387;MM40387;CC(O)(CC#N)CC=O;KWHMEHZAWZENEV-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40388;MM40388;C=CCC(C)(F)CC=O;XTXYRBTUTSBWPQ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40389;MM40389;CC(F)(CC#N)CC#N;LWFCUGJEWXFGOQ-UHFFFAOYSA-N;126.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluoropentanedial;MM02449;O=CCC(F)(F)CC=O;NHGCSHZAUNOUMF-UHFFFAOYSA-N;136.1;0.8;88107591;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40390;MM40390;N#CCC(F)(F)CC#N;QAPGNMVEINXLHZ-UHFFFAOYSA-N;130.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40391;MM40391;CCCCNC(=NO)NO;CRJXNTJDHIJEDD-UHFFFAOYSA-N;147.18;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40392;MM40392;CC=NNCCC(=O)OC;IQZMPELIBQQHFZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40393;MM40393;CCC(C)C(O)C(=N)NO;LAEFGPZDHCVDFC-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40394;MM40394;CC(C)(OC=O)OC=O;CUUHMHVFSMZOAF-UHFFFAOYSA-N;132.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40395;MM40395;C#CCC(C)(O)CC=O;NUWAOECBQRVQJY-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40396;MM40396;C#CCN(CC)C(=N)C=O;SBMRTPUKLSCJPW-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40397;MM40397;C=NNC(CF)CCOC;SOFWYDNAVXASQC-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40398;MM40398;CC(O)C(=N)NN=CC=O;SXQYJGSIWYIXRK-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40399;MM40399;C=CCN(O)C(=N)OC;JZFTVSLHQVMJPV-UHFFFAOYSA-N;130.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40400;MM40400;C#CCON=C(NC)NO;HBBHIMIIPXLCFD-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40401;MM40401;CCCC(C)(O)C=NO;SERVVSMSQFXEJQ-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40402;MM40402;C=C(C#CC(C)N)NC=O;DOPSDKIWLSXHHD-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40403;MM40403;C=CN(O)C(=N)NOC;NUFWLYJQAPEWMI-UHFFFAOYSA-N;131.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40404;MM40404;CC(F)(C=NO)CCO;MEDTWCWGVGLYOY-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03376;MM03376;OCCC(F)(F)C=NO;HIBMBBHXZCNCOV-UHFFFAOYSA-N;139.1;0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40405;MM40405;CN(O)C(=NC=N)NC=N;XIHFEUYMJONLPA-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40406;MM40406;CCNC(C#N)C=NOC;AMSOKPJHJGTGIA-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40407;MM40407;CON=C(C)C;QMOLZSLXSAVSPU-UHFFFAOYSA-N;87.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40408;MM40408;COCC(C)(F)C=NO;DTYFAEZVUGFOIN-UHFFFAOYSA-N;135.14;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40409;MM40409;C=NN(C)CCF;GCLOWSVWGPMRQQ-UHFFFAOYSA-N;104.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03291;MM03291;COCC(F)(F)C=NO;XELBKXMPBYDJOG-UHFFFAOYSA-N;139.1;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40410;MM40410;CC(C)(C=NO)CC#N;KTCKXVWMZDXMMY-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16286;MM16286;O=CCC(F)(F)C=NO;QQOYETQMYNPFPT-UHFFFAOYSA-N;137.09;0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40411;MM40411;C=CC=NOCOC;SJKVBGCJMKQMTC-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40412;MM40412;CCNN=CCCF;ZUTQGXBFCMXHPL-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40413;MM40413;COC(C)C=NN(C)C;DYJVOLHLBSDBPP-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40414;MM40414;CNN=CCN(C)C=O;ZJMIMHQGMILCFI-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40415;MM40415;CNC(C)(C)C(F)CO;VJHOLNNOEMLUTO-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40416;MM40416;C=CC(CCF)=NNC;XVKDIGSMJVWCPY-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40417;MM40417;CC(=NN=CCO)N(C)N;FKOATLBSVGJPHR-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40418;MM40418;C#CCNC(C)(C#N)C=C;LUHOICPNGZCIKL-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40419;MM40419;CC#CC(C)(O)COC;NENSHGZEWXVZHP-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40420;MM40420;CC#CC(C)(O)CC#N;CGVPPXZLNRKMIG-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40421;MM40421;C#CC(C)N(C)C(=N)C=O;CKOACYZRJIAWPZ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40422;MM40422;CC(O)(C=NO)C=NO;XNQYQLQEWDRMBE-UHFFFAOYSA-N;132.12;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40423;MM40423;CON=CC(C)NCC#N;YBVNJHXOJDZPEC-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40424;MM40424;CC(F)(C=NN)C=NO;WTYSZEUORKWPMX-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40425;MM40425;C=NN(C)C=NC=CC#N;NVDUFQMFEJKOPX-UHFFFAOYSA-N;136.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40426;MM40426;C#CCC(N)(C#C)C(C)O;DAKXAAQEPBHBJM-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40427;MM40427;CC#CC(C)(O)C=NO;FRVMFEVHURKFDI-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40428;MM40428;CCN(N)C=NN=CCO;ZURKNVBVRIADCF-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40429;MM40429;C=NNCC(CCF)OC;RZGUPSAREPXSSV-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40430;MM40430;CC(C)=C(C=O)N=CNO;VVSLCPNICFSGBP-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40431;MM40431;C#CC(C)C(N)(C#C)CO;WSQSRJLDEIDTAO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40432;MM40432;C=CNC(=NOCC)OC;RKUVGZUIPBGVJC-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40433;MM40433;CNN=CCNC=CC=O;VFHAPCAPIPXHFF-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40434;MM40434;N#CCC=CN(O)C=N;QGQOKPYRLAOYHW-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40435;MM40435;CNN=CC=COCOC;ZIXOSOFFNPYHOY-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40436;MM40436;C=NNC(=N)CC(=O)CF;TZIRNGXYXPGRHC-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40437;MM40437;CC(O)C(C)(O)CCF;CHPZTEOORBOEPC-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40438;MM40438;CC(F)C(C)(O)CCO;HRSGBHCSCRAECE-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40439;MM40439;CON=C(C=CN)CC#N;ODUWRTPHVBFASP-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40440;MM40440;CCON=C(C)C;FKHNGLPLDBBLBA-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40441;MM40441;CNC(C#N)CCCC=O;ZVDGNHOHTRAXNI-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40442;MM40442;CNN=C(N)C#CC(C)=O;ANRGOVVDLVFYIJ-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40443;MM40443;CC(O)C(C)(F)CCO;MBRYSXBSOUQSLP-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40444;MM40444;CNC(=N)C(C#N)=NOC;XQIBNLZECVHIDQ-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40445;MM40445;CN=C(C)N(C)C=O;LRYKKGPSDGCODY-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40446;MM40446;C=C(CO)N(C)C(C)=NN;MBMYLKPYYJGTEG-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40447;MM40447;C=NOCOCCC;XJKUKOTUOCMOAL-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40448;MM40448;CC(C=NN(C)C)CF;WYBRBHTUIHOGBX-UHFFFAOYSA-N;132.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40449;MM40449;C=NNC(C)COC=O;QIFMVZRHVAEKJL-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40450;MM40450;C=C(C)N(C=O)C(C)=N;WTWUHJYFMROJRR-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40451;MM40451;C=NNC(C=C(C)N)=NC;XMCGIQDOGFRGIF-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40452;MM40452;N#CCCCN(O)C=N;DZYYOCMALJMCHS-UHFFFAOYSA-N;127.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40453;MM40453;C#CCOCCC=NN;HXIDVVYZYIYQGF-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40454;MM40454;C=C(C=NNC)N(C)C=O;KGKJMCLHRVTFBW-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40455;MM40455;CON=CCNC(C)C#N;KTGJEMZCTDNONB-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40456;MM40456;C#CC(=NNC)C(F)=CN;AGBMIHFPJOBKSV-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40457;MM40457;C=NNCC(CF)COC;QQEKADGYOSFMHC-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40458;MM40458;CC(F)=C(F)C(=N)NN;NAGUAJHFYIFCFP-UHFFFAOYSA-N;135.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40459;MM40459;CC(C)C(C)(O)CC#N;AYRDLKQRPXCUTP-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40460;MM40460;C=CCC(C)(O)C(C)O;SMWGFKITEMKAGE-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40461;MM40461;CC(O)C(C)(O)CC#N;NQJBOLNTPLQARQ-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40462;MM40462;CC(F)C(C)(O)CC=O;VEQRSWSVZLNTID-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40463;MM40463;CC(O)(CC=O)C(F)F;NZEBQQCZTJGWKE-UHFFFAOYSA-N;138.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40464;MM40464;CC(O)C(C)(F)CC=O;ZEUSFVKQPLEDBG-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40465;MM40465;C=COC(CON=C)OC;VVCQVXZOULJAPX-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40466;MM40466;C#CC(=O)C(C=O)NCC;KHRJSSPTPOIYDF-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40467;MM40467;CC(O)C(C)(C)NC=O;SPYJKFZCPFMCBA-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40468;MM40468;COC=NN(C=N)C=CF;LAHRMVJCPVQYRH-UHFFFAOYSA-N;145.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40469;MM40469;COCC(=CC=NN)OC;YVYLTDPFZCIHHR-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40470;MM40470;C#CCCCN(O)C=N;KGIXWSQMQLTRPI-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40471;MM40471;C#CC(CCNN=C)=NN;IINBGMHQBWMBHQ-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40472;MM40472;CC(O)C(C)(C)OC=O;ZYIVEDXIVSHRRR-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40473;MM40473;C#CC(C=NOC=O)=CN;BJBNYHNKOIWTCB-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40474;MM40474;C=NNCCCOCCF;CLQXBCABDGMOKS-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40475;MM40475;N#CCOCC(=N)NO;XWUCPMKBRVBWSU-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40476;MM40476;CCN=C(NO)C(C)(C)N;DKRMNFZCYMNUNS-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40477;MM40477;CC(=O)C(C)(C)CCO;CZZJEFYSXHQQRP-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40478;MM40478;C#CCC(C)(N)C(=N)NO;BYUGEAHFKXVCFR-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40479;MM40479;C=CCC(N)=CC=NO;OAHVBYSPHHGYQA-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-fluoro-2,2-dimethylbutanoic Acid";MM01600;CC(C)(CCF)C(=O)O;RFCPBGIHACKTAX-UHFFFAOYSA-N;134.15;1.46;80697264;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40480;MM40480;CNNC(=NO)NC=O;ZQUNARBTCVGKLZ-UHFFFAOYSA-N;132.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40481;MM40481;C=NNCCOCCCF;SAXCSADWFCNTSZ-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40482;MM40482;CCN(N)C(=NO)NO;PTNMDDIOZUNSLT-UHFFFAOYSA-N;134.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15352;MM15352;C=C(C)C(C)(O)CCF;UWCZNFQIQCPWTP-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40483;MM40483;CCCC(C)(O)C(C)=O;ZTYFXEDMOYUTCM-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40484;MM40484;CC(=O)C(C)(O)CCF;ZBJSVSGXWKPNHZ-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40485;MM40485;CC(O)(CCF)C(=O)O;HAGHKJVSSGDLOB-UHFFFAOYSA-N;136.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40486;MM40486;C=C(F)C(C)(O)CCF;QMVWANLLHAFFFU-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40487;MM40487;C=NOCCOCOC;CYJYJHPUBAVNEM-UHFFFAOYSA-N;133.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40488;MM40488;CC(=O)C(C)(F)CCO;HMVGUBZTRQSRGJ-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40489;MM40489;C=NN(C)C(=N)OC(C)C;LEMOZVGACIKAJK-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40490;MM40490;CC(F)(CCF)C(N)=O;DWGRLSAGFIIVDQ-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40491;MM40491;CC(F)(CCO)C(=O)O;COQCDYDQBAPJJS-UHFFFAOYSA-N;136.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40492;MM40492;C=NN=C(C#N)CN(C)C;YQPNFQKJPUJLAC-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40493;MM40493;C=C(C=NN)OC=NOC;MWCZFWWYEJMVHN-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40494;MM40494;NN=CC(C=NN)CCF;GHEGHBGYEZHWPN-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40495;MM40495;CCCN(N)C(=NO)NO;VWSWLYFYFXTXMP-UHFFFAOYSA-N;148.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40496;MM40496;CCOC(C=NN)C=NN;WAPPJGWXJDRWIM-UHFFFAOYSA-N;144.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40497;MM40497;CC(C)NC(=NO)N(C)O;NJGPCCBUTUGWTE-UHFFFAOYSA-N;147.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40498;MM40498;COCC(C)(C)C(N)=O;ZJVKPXAECPOUIG-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40499;MM40499;CNC(C)(C#N)C=NOC;DMYDAVAUEKMJSC-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40500;MM40500;COCC(C)(O)C(N)=O;KOZXGCBMBOWSMH-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40501;MM40501;COCC(C)(F)C(C)=O;UQWGDNIXVZTFJY-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40502;MM40502;COC=CC(=O)N(C)C=N;ZGRDOESNZVRYFJ-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40503;MM40503;COCC(C)(F)C(N)=O;UHTREMZZHOXUPW-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40504;MM40504;N#CC(C#N)NC(=N)N;ONOOFCPYUZWKEM-UHFFFAOYSA-N;123.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40505;MM40505;CCCC(=N)N(C=O)NC;AVCUQSPAGMDSSW-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40506;MM40506;CC(F)C(C)C=NN;SOHIZUTYSCQXJJ-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40507;MM40507;CC(C)(CC=O)C(N)=O;UTRWCHULTIAIIB-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40508;MM40508;CC(C)(CC#N)C(N)=O;UFYLQEIIEOXXCE-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyano-2,2-dimethylpropanoic Acid";MM03316;CC(C)(CC#N)C(=O)O;LKAPYWBIDUNHLL-UHFFFAOYSA-N;127.14;1.01;22715210;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40509;MM40509;CC(=CC=NN)CF;ZWCNLEVPJSPOPV-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40510;MM40510;C=C(C)C(C)(O)CC=O;KHUVXQWNQTVHJN-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40511;MM40511;C=CCC(C)(O)C(C)=O;SYQRQOOKHDEYLO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40512;MM40512;CC(=O)C(C)(O)CC#N;KQACPCGZQDUOTR-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40513;MM40513;CC(NCC#N)C(=N)NO;WQDORYKIPRRWFY-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40514;MM40514;CC(O)(CC#N)C(N)=O;FBPIYSJINCWMTA-UHFFFAOYSA-N;128.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-2-methylpent-4-enoic Acid";MM03657;C=CCC(C)(O)C(=O)O;NQRZSIPZBAMEPO-UHFFFAOYSA-N;130.14;0.4;11768597;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40515;MM40515;C=C(F)C(C)(O)CC=O;OYUKPYGXVUZJIG-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40516;MM40516;C=CCC(C)(F)C(C)=O;CNHVWGRJJKXFIZ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02396;MM02396;CC(=O)C(C)(F)CC=O;HHUSTDNBQLBDMD-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40517;MM40517;CN=C(CCF)NO;COSZLBFBUQEOFM-UHFFFAOYSA-N;120.13;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40518;MM40518;C=NNC(C)C=C(C)F;ADPXNPCFRXMDEX-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40519;MM40519;CC(F)(CC=O)C(N)=O;BYIXXAALHWJLJW-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40520;MM40520;CC(F)(CC#N)C(N)=O;VCIBUUKNBQIUAH-UHFFFAOYSA-N;130.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40521;MM40521;CC(F)(CC=O)C(=O)O;GVTMRDYFFXUQKB-UHFFFAOYSA-N;134.11;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40522;MM40522;C#CC(C=NN)C=NN;LXQWFAZKSCAWIM-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40523;MM40523;CN=C(NO)C(C)CF;NERVZBBXMGMGBR-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40524;MM40524;C=CN(C(C)=N)C(C)=O;WZOJUZYOHRYEKR-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40525;MM40525;N#CCC(F)(F)C(N)=O;CWBRGBDUMHOEFA-UHFFFAOYSA-N;134.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40526;MM40526;C=C(NC=O)NC=CC#N;IWRDCGUNGHZGMS-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40527;MM40527;CC(=O)C(C)(C)NC=O;NUNOKJALBAKOJT-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40528;MM40528;CCC(CCCF)=NN;GDLYUNANMYSOGB-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40529;MM40529;C=NNC(C)(C)C(=O)O;XEYYKDRQNHVRLD-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40530;MM40530;CCNN=CCN(N)C=O;PUDYRQAEWYQUBL-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40531;MM40531;C=NNCC=NN(C)C=O;LRQYQMNTLISCIY-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40532;MM40532;CC(C)(OC=O)C(N)=O;VSODRGAQESJQLB-UHFFFAOYSA-N;131.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-formyloxy-2-methylpropanoic Acid";MM03481;CC(C)(OC=O)C(=O)O;BXXOFUQIACXFIW-UHFFFAOYSA-N;132.12;0.02;53918371;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40533;MM40533;C#CC(=CC(=N)NO)CF;MLSLYIYCIDWIME-UHFFFAOYSA-N;142.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40534;MM40534;C#CC(C)(CF)N(O)C=N;MZSPUNPBCUBJPE-UHFFFAOYSA-N;144.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40535;MM40535;C#CCC(C)(O)C(=O)O;ZPMNVAYSWCEIES-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40536;MM40536;CCOC(=NC)N(C)O;OHWXFVIHNKPGMM-UHFFFAOYSA-N;132.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40537;MM40537;C#CCC(F)(F)C(N)=O;FSKXCPRTZWHEQF-UHFFFAOYSA-N;133.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40538;MM40538;CCN(C=NOC)CC#N;XTCKFNRZQIEWMO-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40539;MM40539;CC(O)C(C)(O)C=CF;QMRJUJGWVZKVJX-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40540;MM40540;CC(C)C(C)(O)C=NO;YLPFBRCNOPYFHE-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40541;MM40541;CC(O)(C=NO)C(F)F;IZWQZWDBYSNOEQ-UHFFFAOYSA-N;139.1;0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40542;MM40542;CC(O)C(C)(F)C=NO;WEELAYXKZBGKCU-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40543;MM40543;C#CCNC(C#N)C(=C)C;BNBHSPNJNURZDX-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40544;MM40544;C#CC#CCN(C=O)NC;MKCLPPJMZGHEQY-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40545;MM40545;CC(=O)C(C)(O)C=CF;ZERLQIOTJOATOJ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16393;MM16393;CC(O)(C=CF)C(=O)O;MKCOZKVTRIZSQF-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40546;MM40546;CC(F)(C=CF)C(N)=O;CQOZQXSQXIPQCE-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02164;MM02164;CC(=O)C(F)(F)C=CF;LZPBRKPHLKNJKX-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40547;MM40547;CC(=O)C(C)(C)C=NO;BNMAHSUMUSXRFR-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40548;MM40548;CC=NNCC(C)F;UKHRTWTUCRGQDN-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40549;MM40549;CCCOC(=NC)N(C)O;ZOTCZXQYWRXGIA-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40550;MM40550;CC(C)(C=NN)C(=O)O;KHAQJYOPWDFQKS-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16524;MM16524;CC(C)(C=NO)C(=O)O;YQYNJMJWZPMYDW-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40551;MM40551;CN(N)C(=N)ON=CCO;IISCQXDLSKQWLA-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40552;MM40552;C#CCON=CC=C;CUFQKQWGEKXHPA-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40553;MM40553;C=C(CN)C(=NCC)NO;FWXQMNGLCGXJBA-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16349;MM16349;CC(F)(C=NO)C(=O)O;QURXYQIGSGLGAQ-UHFFFAOYSA-N;135.09;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40554;MM40554;C=CC(F)CNN=CC;GDQXSJNEKPLXQR-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40555;MM40555;CC=NOCC(C)=NN;YQQGUYTZRHHWMS-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40556;MM40556;COC(C#N)C(=N)NO;IDWHSAVBLBECIN-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40557;MM40557;CC=CC(=N)N=CN(C)O;QYUQWNBXFWVVOW-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40558;MM40558;CC#CC(C)(O)C(C)O;HAVNGZPMRFWIAZ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40559;MM40559;C=NOC(=NC=N)N(C)C;OEWLYVUGBVEPLC-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40560;MM40560;COCC(=N)NN=CNO;MNZLQGCGCRMPQH-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40561;MM40561;C=CC(CN(N)C=O)=NN;HHIZUKINAHRRER-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40562;MM40562;C=CCCC(F)C(N)CO;IWJMYUJTKSDGHY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40563;MM40563;CC(O)C(C)(C)C(C)O;FVSGQDYLPCUSNF-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40564;MM40564;C=NNCC(C)=COC=O;OSALGLHADBFDCA-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40565;MM40565;C#CC(=NC=N)NCC=O;HTVQCNNSHYTHCQ-UHFFFAOYSA-N;137.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40566;MM40566;C=NNCC(=C)C(=O)OC;BYJMGPIFDWLEKJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40567;MM40567;CNC(C#CC#N)C=O;HVUXEESQPWYQMX-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40568;MM40568;COC(=NN)NCCF;KIZJFFNHRVBOBI-UHFFFAOYSA-N;135.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40569;MM40569;C#CC(CF)N(N)C=NN;KUOOYCOUBWERMR-UHFFFAOYSA-N;144.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40570;MM40570;CC(O)C(C)(O)C(C)O;FOVLHFSUVQWMCM-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40571;MM40571;CNN=CC(C)N(C)C=O;TXYVXEBCDPOMNW-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40572;MM40572;C#CCC(=O)C(C)NC;GBZKHQJFPCLFGA-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40573;MM40573;CNN(C=O)CC=NOC;NWRNBFAMGRMDSG-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40574;MM40574;C#CCOCCC=NNC;XGQZJBHNSNWRLD-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40575;MM40575;C=NNC(C)CF;GSRNZLPNIIOHDR-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40576;MM40576;C=NNC(=N)N(N)C=N;RKVLIXKRDGXWHF-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40577;MM40577;C#CC(=NN)C(C=C)=NN;PKQFVVBNVYFELM-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40578;MM40578;CC(O)C(C)(C)C(N)=O;SIJSLVNTJVIDIV-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40579;MM40579;CC(O)C(C)(C)C(=O)O;RVWQQCKPTVZHJM-UHFFFAOYSA-N;132.16;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40580;MM40580;C=COCC=NN;RNTYJOVMQAOZAG-UHFFFAOYSA-N;100.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40581;MM40581;CCON=C(C=O)NNC;CHVZYUCMJITLSC-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40582;MM40582;CC=NNC=NC;BANFFHFECRGFRZ-UHFFFAOYSA-N;99.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40583;MM40583;CC(=O)C(C)(O)C(C)C;AZOFNYFIIAEQNY-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40584;MM40584;CON=C(C=C(C)N)NN;GYVSRWBQVDUYKW-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40585;MM40585;CC(C)C(C)(O)C(N)=O;ZETNTQRARNBFOL-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-2,3-dimethylbutanoic Acid";MM03685;CC(C)C(C)(O)C(=O)O;JRQZJRDOZAJRTN-UHFFFAOYSA-N;132.16;0.48;12660978;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40586;MM40586;C=NNC(=NN)N(C)C=N;BPVCXHWOULDHCX-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40587;MM40587;C=C(F)C(C)(O)C(C)O;FBMFSKZDYBIWGF-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40588;MM40588;CC(=O)C(C)(O)C(C)F;CSBRSKQSBSDEJP-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40589;MM40589;CC(=O)C(C)(F)C(C)O;FICBAFUIKDFQRI-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40590;MM40590;CNC(=CC#N)OC;WUWRMELYPIKFCI-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40591;MM40591;CC=NOCC=NN;BRNWCSYJISSDMS-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40592;MM40592;C#CC(=N)N(N)C=CCO;CLUWWSMCTNZYHO-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40593;MM40593;CC(=O)C(C)(C)C(N)=O;DWQKDHYXXGGXNQ-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2-dimethylpropanedioic Acid";MM03264;CC(C)(C(=O)O)C(=O)O;OREAFAJWWJHCOT-UHFFFAOYSA-N;132.12;0.18;11686;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40594;MM40594;CCN(C)N=CCOC;FFFGOTFBEFWRBE-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40595;MM40595;CN(C)CC(F)(C#N)C=O;BGVQRRSYYSSWIH-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40596;MM40596;CCCN=CNC(=N)C#N;LSJIFBDHLFKUNT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40597;MM40597;C=C(C)C(C)(O)C(C)=O;OPJVSEPGKZQARM-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40598;MM40598;C=CC(C=C)C(=O)CNC;FNRNDTYLRPRQNI-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-2,3-dimethylbut-3-enoic Acid";MM03630;C=C(C)C(C)(O)C(=O)O;KXXIUSPPIOSKAZ-UHFFFAOYSA-N;130.14;0.4;12431727;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40599;MM40599;C=C(F)C(C)(O)C(C)=O;SJMZQVLRHIXMKE-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40600;MM40600;C#CC(N)(C=C)CCCO;ZEKBILYYALIAME-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40601;MM40601;C=C(C)C(C)(F)C(C)=O;YWXRHFAATDMGIV-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40602;MM40602;CC(=O)C(C)(F)C(C)=O;QALGMGZXYYCIQT-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40603;MM40603;C#CC(N)C=CC=CCO;AXHVCMDETGMKEK-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-difluoro-4-methylpent-4-en-2-one;MM01946;C=C(C)C(F)(F)C(C)=O;DRVHSODFBJWLQH-UHFFFAOYSA-N;134.13;1.79;138749678;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40604;MM40604;C=NOC(C=NN)COC;PTZMYROGXIRZJO-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40605;MM40605;CON=CN(C)C(C)C#N;TUCQSIMSXHILIP-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40606;MM40606;C#CC(N)C=C(C)CCO;GVGTXPAYTNKZTH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40607;MM40607;C=CC(CNN=C)OC=O;AZPRLEFVSSDAGE-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40608;MM40608;C=C(C)C(=O)CNC(C)C;ZJJVJVRVTIIART-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40609;MM40609;C=NOC(CC=NN)OC;ZQCJERIHEPOYNB-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40610;MM40610;C=CCN=CN(C=N)N=C;IHCNJKJTAYFYAI-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40611;MM40611;CN(N)C(CCO)=NO;MCMDERBDYZYKRH-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40612;MM40612;C=NNCC(C)F;RGHLPQKYYNKPNZ-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40613;MM40613;C=CC(=O)CNC(C)C;LRBYSRBINYBLDY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40614;MM40614;CCC(F)CC=NN;XQFKEMJBNWTNKY-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40615;MM40615;CC(C)COCC(N)=O;ASFWJZVCMBFERR-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40616;MM40616;CC(F)CCNC(N)=O;MCDNYRSFHYHMJN-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40617;MM40617;CNC(=N)NC(C#N)=CN;GLUWKNPOGFQSGT-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40618;MM40618;CCC(=NO)N(N)C=NC;LMGIFFPDVMJWDZ-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40619;MM40619;C#CCCN(C)C=NNC;ZAPOZTRDQHJDTC-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40620;MM40620;CC(C)CONC(N)=O;PFLSCACPKBTXNT-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40621;MM40621;C=CC(C=NN)OC;DMYWOBLZPZQBIX-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40622;MM40622;CC=NNCCCF;LIRLTIMXGPAOHX-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40623;MM40623;CC(C)OCOC(N)=O;JRNKFPUFCRKQEK-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40624;MM40624;CCCC(=NO)NCC;YCRVPCUJXJSIIZ-UHFFFAOYSA-N;130.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40625;MM40625;CC(=CCF)CC=NN;OCRNPPUFBSHKAN-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40626;MM40626;CC(CCCCF)=NN;VGPYNDRQKSUPRN-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40627;MM40627;CC(C)NCC=O;KGRKGIQSADVUNN-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40628;MM40628;CCNN=CC(C)CF;LKPLKLRILGIXOL-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40629;MM40629;C#CC(=NNC)C(=N)NC;LNVKXPZCGAFOMP-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40630;MM40630;CC(=CCC=NN)CF;FWEFQCFVBQLDAL-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40631;MM40631;CC(=O)COCC(C)=O;ICOZHMGZBBNHMH-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40632;MM40632;CC(C#N)NC(C)(C)C=O;LNYOINUNPBEUGD-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40633;MM40633;C=C(C)CCNC(N)=O;OKPUNAVZUYURQG-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40634;MM40634;CC(C)NN(C)C(=O)C=O;AFIKYVHPDHKYMZ-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40635;MM40635;CC(=N)NN=CC#CCN;MVCVYYAKRKDTOK-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40636;MM40636;CC(=O)CONC(C)=O;ZXMCORZLQKWWIC-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40637;MM40637;C=COC(=O)CCNN=C;YTMVCLLNZVIMJX-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40638;MM40638;C=C(C)CCOC(N)=O;VSYDQASEAXFQQV-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40639;MM40639;CC(=O)CCOC(C)=O;NWCYECXHIYEBJE-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40640;MM40640;CNN(C=O)C(=N)C(C)C;LKDKPGQXYSVAQT-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40641;MM40641;C=C(C)OCCC(N)=O;LLQRXWVCSPHFTC-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-acetyloxypropanoic Acid";MM03619;CC(=O)OCCC(=O)O;RFEXARYJXBYPLD-UHFFFAOYSA-N;132.12;0.02;12647151;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40642;MM40642;C=NNC(C=NN)CCF;HWFSINPLCRRVBA-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40643;MM40643;C#CC=NNCCNN=C;OXOOUJATPBTIGD-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40644;MM40644;CCCNC(=NO)N(C)O;PFMFPNPUVRHINM-UHFFFAOYSA-N;147.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40645;MM40645;C=CNC(=NO)NCC=O;BJMFPFOGAXHINR-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40646;MM40646;COCCOC=CC=NN;VYWPBXNTCZLMQI-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40647;MM40647;C#CC=C(C=O)N(O)C=N;VYFTZTCWGXINCA-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40648;MM40648;C#CC(C)(CC=NO)NC;ZPZXZYNQAXTNDM-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40649;MM40649;C=CC(F)CNN=C;GXBRFGARQNVVFI-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40650;MM40650;C#CCN=CN(O)C=NC;KIRDSUJQOJKQTK-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40651;MM40651;CN=C(NC(C)=O)N(C)N;LFBOVMSQGAHABM-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40652;MM40652;C=NNCC(=C)CF;XRQFUSMSWYUDDK-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40653;MM40653;C=CC(=N)N=CN(O)C=C;AOBCPUUCOLEFLJ-UHFFFAOYSA-N;139.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40654;MM40654;CCC(=N)N(C)C=NO;BTMMLSKXRIWVLA-UHFFFAOYSA-N;129.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40655;MM40655;CC=C(F)C(=N)NO;MGAMRNJITJPEJJ-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40656;MM40656;CN=CNN=CC(C)CO;AXQBSVVIBZZDCA-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40657;MM40657;C=COCC=NNC;ZPBFWIQOOCBOSO-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40658;MM40658;CON=CN(N)CCO;WAWFIQADMUQICJ-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40659;MM40659;C=NNCCCC=CF;DZUFFNQNPCBLEH-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40660;MM40660;CN(C)N=C(C#N)C=CN;CUYFEWMCNQMZDV-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40661;MM40661;CC(=O)C=CNC(C)C;KSAIEQDRJUDNAC-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-(propan-2-ylamino)prop-2-enoic Acid";MM03467;CC(C)NC=CC(=O)O;RJUHFSLJGRPULP-UHFFFAOYSA-N;129.16;0.58;73675281;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40662;MM40662;CCC(=NO)C(=N)NC;YBKUKLXOFIULPN-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40663;MM40663;CN=CNN=CCCO;LMSHBDCGLFIHSM-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40664;MM40664;CC(=O)NC=NC(C)C;ZXTVPJAGNLKFRG-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40665;MM40665;C=NOCC(=C)N(C)C=O;KEJOAOLFFJBHDO-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40666;MM40666;CC(=O)CC=CC(C)O;JGVUOSJUGCVFEU-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40667;MM40667;CC(=O)NC=CC(C)O;SBKTUFSFCGIWGX-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40668;MM40668;C=NOCC(N)=C(C)C=O;DCDVBNBNJYZOHC-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40669;MM40669;CN=CNN=CCC=O;VDVMUMCPYWCDRJ-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40670;MM40670;CC(F)C=NNC(N)=O;IGZHQWYVVDKIHR-UHFFFAOYSA-N;133.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40671;MM40671;C=C(C=NN)N(C=O)CC;ZMECGGAKEAHNJB-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40672;MM40672;C=NN=C(C=O)NC=N;XSIBKACLTIDQJD-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40673;MM40673;C#CC(O)C(N)(C=C)C=C;CLEYPTRUKIEJFX-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40674;MM40674;C=NNCCCF;LNOUUNUYRPMBTJ-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40675;MM40675;C#CC=CC=NN;UIUSAPSLJRQJLB-UHFFFAOYSA-N;94.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40676;MM40676;CNC(C)(C)C(=O)NN;MEOWFSVAKPUUCT-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40677;MM40677;N#CCNCCCCC=O;FTUJYSFKKGHHDT-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40678;MM40678;CC(C#N)N(C)CCF;HTKVOVSQEVHRCH-UHFFFAOYSA-N;130.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40679;MM40679;C=CC(CCCF)=NN;MRDIOVQTWRJKLB-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40680;MM40680;C=NOCCN(C)CC#N;NDMVNFUIZSVASI-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40681;MM40681;CNN=COC(=N)NOC;GHMQCJCAEFIOAU-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40682;MM40682;CC(=O)NN=CC(N)=O;LVUJNVUFQDNPTN-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40683;MM40683;CN(C)CC(=O)C#CC#N;CRSNCTWXJJIJMX-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40684;MM40684;CC(=O)C=NNC(N)=O;HGRIDMICBOCYTO-UHFFFAOYSA-N;129.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40685;MM40685;C=C(OC)C(C=NN)=NN;VZEFEKBNNLYAIP-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40686;MM40686;NC(=O)C=NNC(N)=O;XDSIFDLILHNMSC-UHFFFAOYSA-N;130.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40687;MM40687;NN=CCC(F)CC=NN;MEXQMWGZYZUWIA-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40688;MM40688;CC(=O)C=COC(C)=O;MHBHMMTWDJHYMH-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40689;MM40689;CC=NOC(=O)C(N)=NC;XJTRLGKERLDSMV-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40690;MM40690;C=CNC(=NC=N)OC;KVOWENNXAHNTOP-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-acetyloxyprop-2-enoic Acid";MM03303;CC(=O)OC=CC(=O)O;TVCAJBZEOSWVPE-UHFFFAOYSA-N;130.1;0.15;87560593;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40691;MM40691;CNN=CC(N)=C(F)C=O;JQUZTEAGOZBFSE-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40692;MM40692;C=NOC(=NC)NNCC;QFTVCLBYBRDQTI-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40693;MM40693;CNN=CC=CN(N)C=O;RCXCAYHTCFBFTG-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40694;MM40694;CC(CO)C(=NO)N(C)N;CLGKCQAXDXTLHM-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40695;MM40695;C#CC(N)C(C)(O)COC;NPSGOFJAJGBKEA-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40696;MM40696;CC(O)C#CCC(C)O;HFKHYKLXNBANFM-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40697;MM40697;CNN(C=CF)C(=N)C#N;GSEUVNIKHJSGIE-UHFFFAOYSA-N;142.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-hydroxyhex-2-ynoic Acid";MM03357;CC(O)CC#CC(=O)O;BZKSWHGJYUBTMG-UHFFFAOYSA-N;128.13;-0.15;55298783;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40698;MM40698;CC(F)CC#CC(N)=O;OKARQJHBVUCVNE-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40699;MM40699;CN(C)CC=CC(O)CF;QFOKIELJWBJKIR-UHFFFAOYSA-N;147.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40700;MM40700;CC(=O)CC#CC(C)O;IUIPFQFIZVHWNH-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40701;MM40701;CC(F)C#CCC(N)=O;PQUBARMJRBTWQD-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40702;MM40702;NC(=O)CC#CC(F)F;CWSSYWQQKJUTJM-UHFFFAOYSA-N;133.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40703;MM40703;C=NN(C)C(CC)=NC=N;IXZKONWYSARIOP-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40704;MM40704;C=C(C)CC#CC(N)=O;HPHVPPKWIRUQDQ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40705;MM40705;CC(=NO)NCCCC#N;BWKOIRKOTKGPBN-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40706;MM40706;CN=CN(C)C=C(F)CO;HFTQQNSJJBZOMR-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-oxohex-3-ynoic Acid";MM03414;CC(=O)C#CCC(=O)O;QBBVAKZUSQEUPX-UHFFFAOYSA-N;126.11;0.05;123459182;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40707;MM40707;O=C(O)C#CCC(=O)O;MDECULARTTWCDW-UHFFFAOYSA-N;128.08;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40708;MM40708;C=C(F)CC#CC(N)=O;DZSUMOWKJHHLMP-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40709;MM40709;C=NOCC(C=O)=C(C)N;SIMCSBJCIYQSHF-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40710;MM40710;C#CCOCCNN=CC;BNCUBCMVLPZCKL-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40711;MM40711;COCC=NN;YNDRPQUMZVGEBG-UHFFFAOYSA-N;88.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40712;MM40712;NN=C(C#CCO)NN;UWEMXGFVOKWTSV-UHFFFAOYSA-N;128.14;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40713;MM40713;CC(F)=CCCC(N)=O;QYFYINHKVFLSAZ-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40714;MM40714;C=CCNN=CCOC;CXDDLMMVUQHXBF-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40715;MM40715;CC(C)=COCC(N)=O;ZKRRLZMNGWWJGX-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40716;MM40716;C#CC(=O)N(C)NC(C)C;JKZRCQMRBADZGD-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40717;MM40717;CN(O)C=NNC(=N)CO;XPEWMBKXLZJNLI-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(propan-2-ylideneamino)oxyacetic Acid";MM03576;CC(C)=NOCC(=O)O;JZHMMFMMAKFDRT-UHFFFAOYSA-N;131.13;0.48;79344;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40718;MM40718;CCN(C)C=NN(C)C=O;LANYBAKHMHQDMT-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40719;MM40719;C=NOCC=CN(C)C=O;OPNKKUPJHIVLNC-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40720;MM40720;CC(C)=CCNC(N)=O;QJSGRDRVYCRQEW-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40721;MM40721;C=C(OCC)N(C=O)NC;GRALEQXTAFPWJP-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40722;MM40722;C#CC=C(C)N(C=O)NC;ZLZYERQUFGSVON-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40723;MM40723;CNC(=N)C(F)F;DJKBJCASAWRRGI-UHFFFAOYSA-N;108.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40724;MM40724;CC(F)CCC=NN;NOEBQLLILMCKTR-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40725;MM40725;CC(CF)CC=NN;XBLLKVMRFJUNCL-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40726;MM40726;CC(C)=CC#CC(N)=O;IZVARLWRFZLWMU-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40727;MM40727;C#CC(C)(C=NN)C=NN;PJQSJIJDGIQLNF-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40728;MM40728;COCC(C)N=C(N)C=O;GYFVAJAJFHMENH-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40729;MM40729;C#CC(COC)N(C)N=C;FTTSAAZRIVBGTK-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40730;MM40730;CCNN(C=O)C(=N)CC;QUUKEPMWGJWNHN-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40731;MM40731;C=NOCC(OC)OCC;UERMWSBOLPQBLL-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40732;MM40732;N#CCC(C#N)N(O)C=N;RDRFKFYGKQXNLB-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40733;MM40733;CC(O)CC(F)C(C)O;UFMCSJNFLDMLIJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40734;MM40734;CCOC(=O)N(CC)NC;GLBORVLSGMZXIX-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40735;MM40735;CNN=CCOC;ZTJZDFXBDBDBDJ-UHFFFAOYSA-N;102.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40736;MM40736;CN(CC#CCO)CC=O;IRTYJWVQLVMJDO-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40737;MM40737;C=CCC=NOC;CFWHNAVMCKLLEN-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40738;MM40738;NN=CCCCCF;NXXHMAWESUKLNQ-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40739;MM40739;C=NN(C)C=NN(C)C;AEUACGNRSGUDMU-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40740;MM40740;CCC(F)(CO)CNC;IBDFAJMPBKGTRZ-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40741;MM40741;COC(CC=NN)OC;IGOCDUBWIKGYEC-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40742;MM40742;CC(C=CC=O)=NN(C)C;UZBWYNVLIYGTNW-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40743;MM40743;CN=CN(C=N)N=C(C)C;YVSPNXZKLJOGBI-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40744;MM40744;C#CC(N)C(O)CC(=C)C;QMNRWCGRHUEMOO-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40745;MM40745;C=NNC(C(=C)F)C(C)C;JPBCTVDSOYRMLR-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40746;MM40746;CC(O)C(C)CC(=O)O;BNTHHYUWQILHSA-UHFFFAOYSA-N;132.16;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40747;MM40747;CN(C=N)C(=O)C=CC#N;RHYDZAJMEQRARY-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40748;MM40748;CN=C(OC(C)C)N(C)O;ZUJLULLLHVAXHF-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40749;MM40749;CC(=O)CC(O)C(C)F;QFJMYLNBCRVFNB-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40750;MM40750;CC(=O)CC(F)C(C)O;UBSINRJUMKZDRS-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40751;MM40751;C#CC(=NC=N)N(C)OC;AMIKMNJRNKTDAM-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40752;MM40752;CC(C)C(C)OC(N)=O;LBGWUZMLOWVHOG-UHFFFAOYSA-N;131.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40753;MM40753;CC(=O)OC(C)C(C)O;BCWWODMTUXMSAB-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40754;MM40754;C=NN=C(C)C(=N)NO;AKVXWJOREFCVLQ-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40755;MM40755;CC=C(OC)N(C=O)NC;NEEVONQDXYPXIK-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40756;MM40756;C#CC(C=O)(NC)C(N)=O;IDCWEEINCZLZCI-UHFFFAOYSA-N;140.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40757;MM40757;C=CC#CCN(C=O)NC;KYHXQZNEHVVYFD-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40758;MM40758;CNN=CC(C)OC;MQEPHZYOLSOYTO-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40759;MM40759;CC(C=O)N=CN=CNO;JGBFSPCKTGYGDX-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40760;MM40760;CC(=O)C(O)CC(C)C;LZDPYURTPRCDJG-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40761;MM40761;CC(C)N=C(CO)NC=N;OZPREKKVVKQQCV-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-4-methylpentanoic Acid";MM03705;CC(C)CC(O)C(=O)O;LVRFTAZAXQPQHI-UHFFFAOYSA-N;132.16;0.48;92779;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40762;MM40762;C=NN(CC)CCF;FSTIZLMGCVZSDK-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40763;MM40763;CC(C)OC(C)C(N)=O;KTINLOVGONBENB-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40764;MM40764;CCN(N)C(=N)C(N)=O;COSVPYWPVZRCGA-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40765;MM40765;C=CC=NNCC(C)F;NRKGTGWXRARIBZ-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40766;MM40766;CC=NOCC=NNC;UKMZYKIHMDKBFD-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40767;MM40767;C=NNCCN(C)CC#N;QAGLRGJOWJUMPM-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40768;MM40768;CCC(F)CN(C=O)NC;DJKPPVOHTCLSCN-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40769;MM40769;C=NN(C=NN(C)C)CC;PEVDRVXHASGADD-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40770;MM40770;C=NOCC(C)OCOC;QZCRVIBNUFHUGB-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40771;MM40771;CNC(C)C(=O)C#N;SMOQRIDCEDNMEM-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40772;MM40772;CC(=O)N(O)CC(C)C;CZAXUGYYPQOGMV-UHFFFAOYSA-N;131.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40773;MM40773;CC(=O)N(O)CC(C)F;YFMZWVRULYPTGR-UHFFFAOYSA-N;135.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40774;MM40774;N#CC(C#N)(C=O)C(=N)N;SYKNKPAOFCDZMP-UHFFFAOYSA-N;136.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40775;MM40775;CC(C)CN(O)C(N)=O;WLHCIPWOIJHXBU-UHFFFAOYSA-N;132.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40776;MM40776;N#CC(CF)NCCCF;PNRKTBILTHDMCJ-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40777;MM40777;C=CCCC(O)C(N)CF;AXDPZDCEVKFJMW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40778;MM40778;CC(C)ON(C)C(N)=O;ZCZVDPIJJMEJLG-UHFFFAOYSA-N;132.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40779;MM40779;CNN(C=O)CC#CCF;VEUKOJOHFOOYBC-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40780;MM40780;C=NOC(=NC=N)NC=N;IOUWDSAUSZLOTM-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40781;MM40781;C=C(C)CC(O)C(C)=O;WFJNEVBROHAFKI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40782;MM40782;CNN=C(N=CNN)OC;ZLBNYSYVSLIKPA-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40783;MM40783;CNN=CCC(C=O)=CN;GLLOGPGPOFJXHX-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40784;MM40784;C=C(C)CC(F)C(C)=O;JOHAYDQTUCOEKK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40785;MM40785;C=COC(=C)N(C=O)NC;PHSPGAWTXXSNTP-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40786;MM40786;CC(=O)NC(C)C(C)=O;IRVPUNRJDRXQBL-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40787;MM40787;C#CCC(C)=NN;BRJIIUVOBOMTOM-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40788;MM40788;CC(=O)OC(C)C(C)=O;ZKPTYCJWRHHBOW-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40789;MM40789;CC(=O)C(C)OC(N)=O;CNJWOVAZTZDHNT-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40790;MM40790;CC(=O)OC(C)C(N)=O;GTRYKHGXRVCFOV-UHFFFAOYSA-N;131.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40791;MM40791;CCNN=CC(C)OC;DYOSBAGQAPAEBN-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40792;MM40792;CC=CN(C=O)C(C)=N;WRPXDDQDCDKLBD-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40793;MM40793;CC(=O)N(N)CC(=O)O;DNZBXWFNLXFSHA-UHFFFAOYSA-N;132.12;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40794;MM40794;C=NN(C=N)C=NCC;GUHKGVAHYBPUSP-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40795;MM40795;C#CCOCCNN=C;GWGZHTHPWIKKDY-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40796;MM40796;CNN=C(C)N(C=N)OC;UNECFVDFSJZLHE-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40797;MM40797;C#CC(=NN)N(N)CC=C;MATUCYRYDJAKQR-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40798;MM40798;C=C(OC)N(N)C=NN;UUKUNCMGGXDLRT-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40799;MM40799;C=C(C)CN(O)C(C)=O;NBOQGVCROKZFQN-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40800;MM40800;CC(=O)N(O)CC(=O)O;MZEISNATEDYFNX-UHFFFAOYSA-N;133.1;-0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40801;MM40801;C=C(C)CN(O)C(N)=O;PPEPOHUDUONHSC-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40802;MM40802;C=CCOCC=NNC;GSVLVEUHBUXTSE-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40803;MM40803;COCC(=NN)C(C)=NN;BWHRSODKXBEVFX-UHFFFAOYSA-N;144.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40804;MM40804;CCCC(O)C(N)CF;RXJOEZDGUZVYRN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40805;MM40805;CNC(=N)C(C)(F)C#N;GSAYBNBOPTWBHN-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40806;MM40806;C=NNC(=N)C=CC#N;YXVFLKGWUHTVHY-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40807;MM40807;C=NNCC(C)OC(C)=O;XAHUBEBCIIMKOC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40808;MM40808;CC(O)CC(=O)C(C)C;SULIZEHAPZEYJT-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40809;MM40809;CC(F)CC(=O)C(C)O;URYHHAUQZFBEQE-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40810;MM40810;CC(O)CC(=O)C(C)F;SPKIHCFQEIIZRJ-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40811;MM40811;C=C(C)CNN=CCOC;VZUHGCGTGPWCQH-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40812;MM40812;C=NNC(C)CCOC=O;QXCFEEKLXHOLLX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40813;MM40813;CC(C)OC(=O)C(C)O;KIWATKANDHUUOB-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40814;MM40814;C#CC(=NN)C(F)=C(C)N;KPOFGCDWDVIVCG-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40815;MM40815;C#CC(=O)N(C)NCCC;OPWSBVAXXKZDLL-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40816;MM40816;C=NOCCOC(C)OC;SRBSBNMNMKNFAA-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40817;MM40817;CCONC(=N)NO;NDCOTNWJIRPUMR-UHFFFAOYSA-N;119.12;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40818;MM40818;C=NNCC(OC)ON=C;HNWLSIVJQPMPBD-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40819;MM40819;N#CCN(O)C(=N)NC=O;BGFTWMXKXUULAU-UHFFFAOYSA-N;142.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40820;MM40820;C=NOCCC(C=O)=CN;WZMBTVQTQXGJIR-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40821;MM40821;CC(C)CC(=O)N(C)O;ONTPLAPSKDLBKF-UHFFFAOYSA-N;131.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40822;MM40822;CC(F)CC(=O)N(C)O;RPEHSYCTJKHWSU-UHFFFAOYSA-N;135.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40823;MM40823;CNC(=N)C(C)(F)F;SCHKKGBICIGOGF-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40824;MM40824;CN=C(NO)NNCC#N;GCQADZKRZMLJDR-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40825;MM40825;CC(C)NC(=O)N(C)C;CJHQLQACGQHOSJ-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40826;MM40826;COCCC(N)=CC=NO;UWCMGBIXDNKIGR-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40827;MM40827;CC(C)NC(=O)N(C)O;XELAXRKTQCVUHJ-UHFFFAOYSA-N;132.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40828;MM40828;C#CCC(C)=NNC;WHWJMSHTJXOIGR-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40829;MM40829;C=NN(C)CCCF;CAPHOVABFAZLGM-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40830;MM40830;CN=CN(O)C=NCC#N;NAIPOAJKDTWFNE-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40831;MM40831;CC(C)OC(=O)N(C)C;XFWJFSJDRURPLE-UHFFFAOYSA-N;131.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40832;MM40832;CC(C)OC(=O)N(C)O;ITRRBAHNTUPPKJ-UHFFFAOYSA-N;133.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40833;MM40833;C#CC=CC=NNC;TVFOXAGBKQUUPN-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40834;MM40834;CCN(C=N)N=CC#N;XELLOICUAVGALG-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40835;MM40835;C=C(CC(C)=O)C(C)O;KIOUKADCUNFBDU-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40836;MM40836;C=C(CC(N)=O)C(C)F;AGEZWVHIOFBYHX-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40837;MM40837;C=C(C)CC(=O)C(C)O;IFYOFLALCLRVBJ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40838;MM40838;C=C(F)CC(=O)C(C)O;CNHLNJFXNMXGQF-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40839;MM40839;C=CC(F)C(N)C(C)O;JIUJDQDGOKGWBY-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40840;MM40840;C=CC=NNCCCF;IOSKNEFSRCTRHD-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40841;MM40841;N#CC(C(=N)N)=C(N)CO;NLCYEUJEGPXDAW-UHFFFAOYSA-N;140.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40842;MM40842;COC(C)C=NNC(C)C;LUGHHGBMEWSLNV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40843;MM40843;C=C(CO)NC(CC)=NN;RHNGOEALGZOPHR-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40844;MM40844;CC(=O)NC(=O)C(C)C;NCMCUJZENIYVHA-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40845;MM40845;C=CC(C)(F)C(N)CO;YFHVJZCOZRYCFO-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40846;MM40846;CC(C)C(=O)NC(N)=O;BSJVXAGXBJYPJZ-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40847;MM40847;CC(=N)NC(=O)C(C)F;UATDVYJAJMJJJB-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40848;MM40848;C=NNCCC(=O)OCC;PJKIWMSJRZCTCP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40849;MM40849;C=C(OC(C)=O)C(C)O;XDMZYSXEDOGNSS-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40850;MM40850;C=C(C)OC(=O)C(C)O;TYSWCCXRNAGISP-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40851;MM40851;CC(CO)N(C=N)CC#N;SXCHAWJUCYYNON-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40852;MM40852;CNC(=NO)N(C)O;CAKAPWRNVBBYGB-UHFFFAOYSA-N;119.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40853;MM40853;CN=CNO;PDFMGHJNJTZXSC-UHFFFAOYSA-N;74.08;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40854;MM40854;CN(N)C(=O)CC(=O)O;XQMPKWDEGVCLPB-UHFFFAOYSA-N;132.12;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40855;MM40855;C#CC=NNC(=N)CO;YRIHYTYYOZQRRA-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40856;MM40856;C=C(C)CC(=O)N(C)O;TYMVYSVBLNHOEJ-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40857;MM40857;CN(O)C(=O)CC(=O)O;XUFDHFPIYNVSSU-UHFFFAOYSA-N;133.1;-0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40858;MM40858;C=C(F)CC(=O)N(C)O;XKNMGTRXTZRGJG-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40859;MM40859;C=NNC(C=CF)C(C)C;XVOAPZWDOSGMRI-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40860;MM40860;C=C(C)NC(=O)N(C)C;YFWAGTUSEDILID-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40861;MM40861;C=COC(=CCO)CNC;VZYKNAAPJSHKPH-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40862;MM40862;C=C(C)NC(=O)N(C)O;ISVHHFLGLMZQLV-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40863;MM40863;C#CC(CN(C)N=C)OC;MUBXNGBDKOIDRD-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40864;MM40864;C=CCN(C)CCO;ZONBMWRPZHKNBV-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40865;MM40865;COC(C)=NN(C=N)C=N;NWCAHDNNVWMDRJ-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40866;MM40866;C=CC(=N)N(C)C(=O)CC;QDXWXALOCHHLBG-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40867;MM40867;C=COCCN(C)CCO;QVIVBSSIPORDLF-UHFFFAOYSA-N;145.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40868;MM40868;CCOC(=N)NC=CCO;UWUUXSJRQREAEA-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40869;MM40869;CN(C)CC=CCO;MGXZQJFXZPSUBQ-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40870;MM40870;C=C(CC(C)O)C(C)=O;NAFIRTFGRXFBDL-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40871;MM40871;C=C(CC(C)O)C(=O)O;FGLXTRRGELKYNO-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40872;MM40872;C=C(C)C(=O)CC(C)O;CWEDDSDRLSQGPX-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40873;MM40873;CC(=O)C(=O)CC(C)O;ZFXUWHPHUNDYBV-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40874;MM40874;CC(=O)C(=O)CC(C)F;IRBLPUXQJFHKGQ-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40875;MM40875;C=NNCC(F)CC=NN;RXNFBLKYXWAEOR-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40876;MM40876;CC(C)CC(=O)C(N)=O;LGLCQUKYWVNOHJ-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40877;MM40877;C=C(F)C(=O)CC(C)O;YKTLTRQMNDRKDF-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40878;MM40878;CC(C)NC(=O)C(C)(C)N;GFFAGXALRYXAJK-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40879;MM40879;CC(=O)C(=O)NC(C)C;ILKCOPXKMGWOSG-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40880;MM40880;CN=C(N)C(=O)C#CC#N;FENFUYHCCDYBAL-UHFFFAOYSA-N;135.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40881;MM40881;C=C(OC(C)C)C(N)=O;CPYSYTLHLFJBSG-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40882;MM40882;C#CC(=O)N(CCC)NC;KNXKXDFBQZOYLI-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxo-2-propan-2-yloxyacetic Acid";MM03254;CC(C)OC(=O)C(=O)O;SXZMAVLCDKNPTD-UHFFFAOYSA-N;132.12;0.02;12228019;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40883;MM40883;C#CC(=NN)C(=N)NO;YCNQKGJINJOSKV-UHFFFAOYSA-N;126.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40884;MM40884;C=CNC(=NOC)NOC;XAMUNIZCRQJIFE-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40885;MM40885;CN=CN(C=N)C(=N)C#N;SATRKEJPPVYFMF-UHFFFAOYSA-N;137.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-methylidenehexane-2,5-dione;MM02502;C=C(CC(C)=O)C(C)=O;IHFHUCHZHYNAAM-UHFFFAOYSA-N;126.16;1.11;21340902;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40886;MM40886;C=C(C=O)C(CC=O)NC;QFEUVBWECVGHKX-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methylidene-4-oxopentanoic Acid";MM03723;C=C(CC(=O)O)C(C)=O;GFDXCHADPIXXRJ-UHFFFAOYSA-N;128.13;0.61;22467004;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40887;MM40887;CCCN(C=O)CC=NN;APBUDMKLNZCRET-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40888;MM40888;C=NN(C(=N)N)C(=O)C#N;FVIWQWVPFZMTDJ-UHFFFAOYSA-N;139.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methylidene-4-oxopentanoic Acid";MM03700;C=C(CC(C)=O)C(=O)O;GTUFLDKJZSXNFD-UHFFFAOYSA-N;128.13;0.61;21617282;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40889;MM40889;CCC=NN(C=N)C=NC;VKMCZGNPJLUAIJ-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
5-methylhex-5-ene-2,4-dione;MM02860;C=C(C)C(=O)CC(C)=O;RKAZWPVRTYSEED-UHFFFAOYSA-N;126.16;1.11;15683512;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40890;MM40890;CCNN=CNCCC=O;QAXCZXXTROZLBP-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
5-methylhex-5-ene-2,3-dione;MM02188;C=C(C)CC(=O)C(C)=O;NDMXXVRHJDBLEC-UHFFFAOYSA-N;126.16;1.11;57012302;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,3,5-Hexanetrione;MM02075;CC(=O)CC(=O)C(C)=O;POASQEFMMPWSLD-UHFFFAOYSA-N;128.13;0.12;13418281;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15580;MM15580;C=C(F)CC(=O)C(C)=O;MDYGDCGDCBIARJ-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40891;MM40891;C=C(C)CC(=O)C(N)=O;CIWXGPSJZZVQDN-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40892;MM40892;C=CN(C(=C)C)C(=N)C#N;IBSLDWSPLKFJCE-UHFFFAOYSA-N;135.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40893;MM40893;C=C(NC(C)=O)C(C)=O;OWJPQTSNDMPHHF-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40894;MM40894;C=NOC=NN(C=N)C=N;RXMSLUPSFNJRTI-UHFFFAOYSA-N;141.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40895;MM40895;C#CCNC(C#C)=NNC;XRVNPHCZBBIHMM-UHFFFAOYSA-N;135.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40896;MM40896;C#CC(=NC)N(C)N=CC;UBMUHNXNJWOVCO-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40897;MM40897;CON=CCC=NN;KPDFMDMRBHPOKQ-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40898;MM40898;C=C(C)C(=O)NC(C)=O;OJBZOTFHZFZOIJ-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40899;MM40899;C=NN(C)C=NN(C)CC;FXDAYNYAMOVJED-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40900;MM40900;C=C(OC(C)=O)C(N)=O;TVMJGECPEWLOSY-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40901;MM40901;C=C(C)OC(=O)C(C)=O;YTFVAPHMBKIRHH-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40902;MM40902;C#CC(N)C=CC(C)CO;VMJFDZXULPJMCL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40903;MM40903;C=C(C)OC(=O)C(N)=O;KPHYDOAGZIINMN-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40904;MM40904;C#CC(=C)N(C)C(=N)C=O;JQTTULOJNWRNBA-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40905;MM40905;CC(=CCCF)CC=NN;SFQWXRHDDUWENK-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40906;MM40906;COCC#CC(=NN)NN;CDPAORUASZYEHE-UHFFFAOYSA-N;142.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40907;MM40907;CC(C)=CC(O)C(C)O;PBVFUKWKZAGUNO-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40908;MM40908;CC(F)=CC(O)C(C)O;WDALETAITPSAGF-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40909;MM40909;CC(F)=CC(C)C(N)=O;NXQHSEYUWJDBDA-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40910;MM40910;CNC(=N)NN=C(C)C#N;ILXPFKLBZMUEAN-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40911;MM40911;CC(=O)C(O)C=C(C)C;ZFLNWTCGACYPIX-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40912;MM40912;CN=CNN=C(C)C;BSSLNJHVXLOGHZ-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15294;MM15294;CC(=O)C(F)C=C(C)C;BYIZDVYFPYRAKX-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40913;MM40913;C=NNCC(=CF)CCC;PYCPTYGUUWVZQH-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40914;MM40914;CC(C)=CN(C)C(N)=O;PSRACVMVHXSIIG-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40915;MM40915;CC(F)=CN(C)C(N)=O;XBJROBLTIZPIHB-UHFFFAOYSA-N;132.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40916;MM40916;CCNC(C#N)C=CC#N;PSOGADYYMYSDPJ-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40917;MM40917;C=NOCCC(OC)OC;DCEKUQSOBCXLGR-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40918;MM40918;CNN=CCCOCOC;DILFVXMLRRJJJN-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40919;MM40919;CON=C(CCF)NN;VIMZZXGAVXZMHH-UHFFFAOYSA-N;135.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40920;MM40920;CC(C)=CN(O)C(N)=O;DCXXFNMSKGMIGK-UHFFFAOYSA-N;130.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40921;MM40921;CNN(C)C=O;GUPVWDLOXXMCQX-UHFFFAOYSA-N;88.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40922;MM40922;N#CCNCCF;HGRWNOGTAZNYOU-UHFFFAOYSA-N;102.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40923;MM40923;C#CC(C)C(C)=NN;YZQSASHMKBXFLB-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40924;MM40924;CC(N)=CC(=O)C(C)F;UAUJSLTVVOHIEN-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40925;MM40925;C=C(C)N(C=O)NC;NTUYIVOJBNNOFR-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40926;MM40926;CONC(=N)OC=NO;KLNLPQCEBGCAIB-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40927;MM40927;C=C(CN)OC=NNC=N;NMNDVZVLHBGNSN-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40928;MM40928;CCNN=CCOC;MCEGZDKMNXVNIM-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40929;MM40929;CC(F)=CC(=O)N(C)O;VKTFRTSPFTXZET-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40930;MM40930;CN(O)C(=O)C=C(N)N;YSWPIXBKXQSRPY-UHFFFAOYSA-N;131.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40931;MM40931;CC(=O)C(=O)C=C(C)C;NUDBOVACQKIPGY-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40932;MM40932;NC(N)=CC(=O)C(=O)O;NHPGNXMSMKVTOL-UHFFFAOYSA-N;130.1;-1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40933;MM40933;C=CC(C)(CF)NN=C;OGJWAFIOVOYQBA-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40934;MM40934;CN(C)C=NNC=CC=O;BTKYTLBCNVMIJS-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40935;MM40935;CCCC(F)CC=NN;POBHSBUAZLYKMB-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40936;MM40936;CC(C)=CC(=N)N(C)C=O;LNCMTIMLJFVYDH-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40937;MM40937;C=NNCCC(C)C(=C)F;OQDQUXYKLHJZPN-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40938;MM40938;CN(C=N)C(C=O)=NO;RPEKNGQSMMZTMM-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40939;MM40939;COCC(C=NN)COC;CFVNZQSHALATLX-UHFFFAOYSA-N;146.19;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40940;MM40940;C=CCNN=C(C)NC=N;ZPXPVVSVXDONKR-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40941;MM40941;C#CCC(=NC=O)N(C)C;UDNIXKWFQKZLRI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40942;MM40942;CCNC(C)C(=O)C=CN;SHRXMYWFXCLFTM-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40943;MM40943;C#CCOCCN(C)N=C;FKVHYVLYGHOCGZ-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40944;MM40944;CC(=O)N=C(C)N(C)O;ABQDSKQUPOQHMC-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40945;MM40945;CC(=O)C(C)=CC(C)O;XTOFTKAMIBJRCH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40946;MM40946;C#CC=NN(C=N)CC#C;ZNNTXVOZBGGHHA-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40947;MM40947;CCNN=C(C)NC=N;PTJDCLUWPWMHKH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methyl-4-oxopent-2-enoic Acid";MM03409;CC(=O)C(C)=CC(=O)O;LRRPKULXSOVRRZ-UHFFFAOYSA-N;128.13;0.61;292914;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40948;MM40948;CN(N)C(C=NO)=NO;GDOLYHXIGURKMS-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40949;MM40949;CC(=NNC(C)C)NC=N;WIHSUNQGZQSYQO-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40950;MM40950;CC(=O)C=C(N)C(C)=O;GOPNXECWAFFCKA-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40951;MM40951;C=NOCCOCC=NN;PWUAARBCWQHSFO-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40952;MM40952;C=C(C)C=C(F)C(C)=O;GONRKBYHELBUIK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40953;MM40953;C#CCC=NN;USBJXOGTWKGPAR-UHFFFAOYSA-N;82.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40954;MM40954;C#CCCON=C;ZWRLPKAIKCYSBU-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3,4-dimethylpent-3-enoic Acid";MM01611;CC(C)=C(C)CC(=O)O;ZKWUIDIQNLCNDD-UHFFFAOYSA-N;128.17;1.82;12682209;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40955;MM40955;CC(F)=C(C)CC(N)=O;YBOAKXMJHNQMOL-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15285;MM15285;CC(F)=C(C)CC(=O)O;HJCQCGQSWNEVQL-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40956;MM40956;C=NNC(C)(C)CF;MYLKJSFXDASAAU-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40957;MM40957;CC(C)=C(F)CC(N)=O;ZZLGMOFBQGPYIY-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40958;MM40958;CON=C(C=NO)N(C)N;MJTXJDUBVDALTQ-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40959;MM40959;COC(C)(C)C=NN;HFWHTQLNDGIJKU-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40960;MM40960;CC(C)=C(C)NC(N)=O;VQULLHXNMSFHII-UHFFFAOYSA-N;128.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40961;MM40961;C=NNC(C)C(C)F;RNKFOLWJJFGVTI-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40962;MM40962;CC(F)=C(C)NC(N)=O;UAMAAHQCONGQJU-UHFFFAOYSA-N;132.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40963;MM40963;C=NNC(CF)C(=C)C;SPMRUTJNXDUXGO-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40964;MM40964;CCCNN=C(C)NC=N;IUGLHKRIFMIOQO-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40965;MM40965;CON=CC(=NO)N(C)N;ZCGZUNGCJSXUNC-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40966;MM40966;C=CN(C=NC=O)CC;QUBFSNHCPMWVMK-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40967;MM40967;COC(=CC(C)=O)N=CN;PLFQIJYEPAMAAJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40968;MM40968;COC=NN(C=N)C=N;KTMMEZYFNDJLQN-UHFFFAOYSA-N;128.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40969;MM40969;CC(O)CC(F)CCO;AVCSGGGKONDENB-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40970;MM40970;CCNN=CC(C)CCF;NFQHGRUMTJHBTB-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40971;MM40971;CC=NOC(=N)N(C)OC;GABIJDOLUQFLAA-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40972;MM40972;C=CC(=N)N(O)C=NO;OUFDHMAOBZPWHU-UHFFFAOYSA-N;129.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40973;MM40973;C=NNCC(C=CF)CC;ZAQWHRUJICHSSH-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40974;MM40974;CC(C)C(C=O)NCC#N;LBSHDRIDZOWRRZ-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40975;MM40975;CC=NNCC(C=O)=CN;FWKBXDUCPKORPQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40976;MM40976;CCOC=NN(C=N)C=N;GERYKLYAQRSMJR-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40977;MM40977;C=COC=NN(C=N)C=N;CWWURXAGCDBXLL-UHFFFAOYSA-N;140.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40978;MM40978;CNC(C#N)C(F)COC;NKPKHYVOLNCXMC-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40979;MM40979;CC(=N)N(O)C(C)=NO;VGAJDHMTYYEOQA-UHFFFAOYSA-N;131.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40980;MM40980;CN(N)C(C=NN)=NO;BIYZJNOTMGLAMP-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40981;MM40981;CCOCC=NN;QCGIRRRDEHRKSN-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40982;MM40982;CC(C)CC(O)CC=O;ZESIMWZNGMPZQD-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40983;MM40983;C=CCC(O)CC(C)O;IKSZUZSICAXOHV-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40984;MM40984;CC(F)CC(O)CC=O;MRGDJVQVLLFTRJ-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40985;MM40985;N#CCC(O)CC(F)F;RQCCSSNOTOWZHN-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40986;MM40986;CC(O)CC(F)CC#N;XELJEXRQZBIUEC-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40987;MM40987;CNN=CC(=NO)N(C)N;ZLMGLCXRSANGFX-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40988;MM40988;C=NOCC=NN;DMZBEQAXZYSONT-UHFFFAOYSA-N;101.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40989;MM40989;C=NNCC(C)(C)F;BTEHSZRIMBFAHE-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40990;MM40990;COCC(=NN)N(C)C;AXBUMFCWHKLBBA-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40991;MM40991;CN(C)C(=N)C(F)F;CTPJIJCDTIMVPD-UHFFFAOYSA-N;122.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40992;MM40992;CC(=CC=NN)CCF;VNDXQIVUVDWTLC-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40993;MM40993;C=NOC(=N)N(C)OC;CCEGRQKALOVBLK-UHFFFAOYSA-N;131.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40994;MM40994;C=CC(=N)N(C=O)CC;HWTGFFKMCFOUGL-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40995;MM40995;C=CC(C=C)CNCC=O;DFKIULQYNHKISB-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40996;MM40996;CCC(C=C(C)N)=NO;WIMDEQKCXHLWJM-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40997;MM40997;C=CN(C=O)NCCC;ZJLHRLGUHMCZKU-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40998;MM40998;C#CCC(O)CC(C)O;KSPJKEVYYSDZNF-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15361;MM15361;C#CCC(O)CC(C)F;WGWXIOCBHZRWEG-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM40999;MM40999;CC=CC(=N)NC(=O)NC;RHKPVLRKCXJWAD-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41000;MM41000;C#CCCCNCC=O;IAJXZIUOHXDJHM-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41001;MM41001;CNN=CC(C)CC(C)F;XKVTXINGJGLLFK-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41002;MM41002;C=CNC(=NCC#N)NO;MDWGXVOIMHNZQN-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41003;MM41003;C=C(C)C(=N)N(C)C(C)=O;KQMCBDAZRYJUPE-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41004;MM41004;N#CC(=N)N(O)C(=N)N;RPOJZEHPLFAJDS-UHFFFAOYSA-N;127.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41005;MM41005;C#CC(C)CCNCC=O;YQCJYKMGDIONJA-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41006;MM41006;C=CC(O)C(=NOC)NC;OAGBITUUOVDCAT-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41007;MM41007;CCCC(F)CC(N)=O;RXNIBXUOPMNRIN-UHFFFAOYSA-N;133.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41008;MM41008;CNN(C=O)C(C)=C(C)C;GGKCQPGDNFEVGH-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41009;MM41009;C=NOC(=O)C(=N)N(C)C;IYASKYSRXZIDKR-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41010;MM41010;CC(O)C(=N)N(O)CC#N;DJXYHKNAAIBBBR-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41011;MM41011;COCC(C)CC(C)=O;SYVITRPODNZEBJ-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41012;MM41012;C=C(C)CC(O)COC;QDKSFBLRHLRRFD-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41013;MM41013;CC(=O)NC(C)CCF;VBLZERZNMGPCAZ-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41014;MM41014;COC(C)(CC=NN)OC;KWUULKWEGPWGPT-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41015;MM41015;CNN=CC(C)C(C)CF;PMONACIERAIFRA-UHFFFAOYSA-N;146.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41016;MM41016;C#CC=CC(=O)N(C)C=N;LJVGVAYHQRCBAW-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41017;MM41017;CC(CCF)OC(N)=O;AOPJSOHBSJWUIC-UHFFFAOYSA-N;135.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41018;MM41018;C#CC(C)C(C)=NNCC;TVKDBCHQHDQVSJ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41019;MM41019;C=NOCC(=NOC)NC;NVJRUGRVQUMFST-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41020;MM41020;NN=CC=COCC=NN;JMJJZBDIIHLBER-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41021;MM41021;C=CC(=N)N(O)C=NN=C;BLJFYPJNWUDELT-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41022;MM41022;C=NNCC(F)CC;OYTODTCEHRWLPZ-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41023;MM41023;CON=C(CO)N(C)N;UTWKADJXHQLEKC-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41024;MM41024;CC(CC#N)CC(N)=O;JXEXBJDTLNCDNM-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41025;MM41025;C=C(C)CC(O)CC=O;KASAHOZTOBMQAS-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41026;MM41026;C=CCC(O)CC(C)=O;WCCYSLUQHIWNTP-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41027;MM41027;C=C(F)CC(O)CC=O;YOSYLKATPGZPRL-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41028;MM41028;C=CN=C(C=NNC)NC;OKUYTDYQAQADCG-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41029;MM41029;CNCC(=CC(C)=O)OC;VREMJXAIEBPHAR-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41030;MM41030;CCNCC(=O)C#N;HUFFTTZSGHNITK-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41031;MM41031;CC(=O)CC(C)OC=O;BMONFOKJQNQURI-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41032;MM41032;C=CC(COC)=NN;ITGMUSLNZNWFAA-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41033;MM41033;C=CCOC(=NC)N(C)O;WYRIMVHWPHNDQN-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41034;MM41034;CC(=O)NC(C)CC=O;SOYLQPBXNGCSNB-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41035;MM41035;CC(=O)NC(C)CC#N;SQKKFAWCIRGJFY-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41036;MM41036;COCC=NNC(C)C;XNRMHJXDEHJPGF-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41037;MM41037;CC(F)C(C)CC=NN;JILCBODJZXOOMC-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41038;MM41038;C=NN=CC(=N)NO;FGKCXDNQAOYBMB-UHFFFAOYSA-N;114.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41039;MM41039;CCC(F)CCC=NN;CBLODNGAIHGNIJ-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41040;MM41040;CC(CC=O)OC(N)=O;DMJHXMKRXXZYHD-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41041;MM41041;CC(CC#N)OC(N)=O;WASKBDMDICUAHU-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41042;MM41042;CC(=O)OC(C)OC=O;JUFICVFHHZTISV-UHFFFAOYSA-N;132.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41043;MM41043;C=CCC(CF)NN=C;SIINAZZYRUTWED-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41044;MM41044;CCNC(C)C=O;DNGJNKKSGBGUSH-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41045;MM41045;C=CC(COC)=NNC;IEHURCKPVXZPPP-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41046;MM41046;CC(CC#CCN)=NO;UHRBIPZLPGWEGJ-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41047;MM41047;CC=NN=CC(=N)NO;LBULKOSJJLHVCK-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41048;MM41048;C#CC(C)(N)COC=NO;UWDLCXJHSAQTJC-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41049;MM41049;N#CC(O)C(=O)NC(=N)N;KBXVIKHPNBNAQG-UHFFFAOYSA-N;142.12;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41050;MM41050;CC(=O)NN=CN(C)C=N;GHZPWFGHODOIGW-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41051;MM41051;CN(CC#N)NC(N)=O;YCUKZYKZZIRDHB-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41052;MM41052;C#CCC(O)CC(C)=O;IUEYSHQSCUMEGG-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41053;MM41053;C#CCC(O)CC(=O)O;SZCONGVTALHNAO-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41054;MM41054;C#CC(=NC)N(C)N=C;LMLMGAINZOAYJN-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41055;MM41055;C#CCC(C)NC(N)=O;CSVUQOQSXPYTOB-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41056;MM41056;CC#CCN(C=O)NC;BEVQTTZZQPDDBX-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41057;MM41057;CCCCC(CN)=NO;ZXEKZMTUZCSDSV-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41058;MM41058;C=NN(C=N)C(C)(C)C=O;XSTASKHEYAYKHP-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41059;MM41059;C#CC=NNC(=N)CC=O;VVBBKSGQVWHVMC-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41060;MM41060;C#CC(F)C(=N)NN;HDBBTHRKAKAIAY-UHFFFAOYSA-N;115.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41061;MM41061;CC(F)(CF)CNCC#N;XVBVSKYNQCNQHN-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41062;MM41062;CC(C)CC(=O)CCO;WTRMKGBQLQHANW-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41063;MM41063;CC(F)CC(=O)CCO;CCPANCGICLRIHV-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41064;MM41064;N=CN(C=CF)N=CC=O;SIMXNOUKMIDRMO-UHFFFAOYSA-N;143.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41065;MM41065;CCNN=C(CF)N(C)N;SUEUXYNFGCLNFP-UHFFFAOYSA-N;148.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41066;MM41066;COC(C=CC=NN)OC;WMXXMRCSPXDXKW-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41067;MM41067;C=NNCCC(C)F;NIBZSNLSUNYVCE-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41068;MM41068;C=C(C#CCN)C=NO;BKKHHFXTNDZALZ-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41069;MM41069;CCNC(=O)CC(C)F;NNWCHMDPCRPUMH-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41070;MM41070;C#CCNN=C(C)C;PCALQSMQRGTINA-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41071;MM41071;C=C(F)C(=NNC)N(C)N;YPJIWXUWDGKMBN-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41072;MM41072;CONC(=O)CC(C)F;QLNDAKQRNXEAGH-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41073;MM41073;CN(N)C(CF)=NN;HWICUPAORUYDPP-UHFFFAOYSA-N;120.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41074;MM41074;CC(C)NC(=O)CCF;BNJCVOFMMPNNRJ-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41075;MM41075;C=NNC(C)CCF;OXIUWXAMLHQOMM-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41076;MM41076;CCNC(=O)NC(C)C;SAWZLGZLJDMTPD-UHFFFAOYSA-N;130.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41077;MM41077;C=NNCC=NOC;ODOPMAFYRLGZAW-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41078;MM41078;C#CC(CC=NO)NCC;WXUXWPCGKYBCDM-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41079;MM41079;CC(F)C(=NN)N(C)N;ZQWUYJURBUZVGB-UHFFFAOYSA-N;134.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41080;MM41080;CONC(=O)NC(C)C;WTBAAHFPHKKCJI-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41081;MM41081;C=CC(=N)N(C)C(C)=O;GEEWKJHKZBLEMD-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41082;MM41082;CC(C)OC(=O)CCO;MIDAHAFCJFVHFD-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41083;MM41083;COCC(=O)OC(C)C;XYXFJNIUUWEUIJ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41084;MM41084;CCNC(=O)OC(C)C;MXCSVZZGUXSJJD-UHFFFAOYSA-N;131.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41085;MM41085;C=CN(C)C(C#N)=NC;RCJTZKMDTRERPU-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41086;MM41086;C=C(C)CC(=N)N(C)C=O;SOXUFAQCRINQPO-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41087;MM41087;CONC(=O)OC(C)C;AORKJJTXVZRSLI-UHFFFAOYSA-N;133.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41088;MM41088;C=C(C)C(=C)N(C=O)NC;URJYPVPZSLSGPV-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41089;MM41089;CN(C)C(=O)CNCC#N;HNQTVYQYHCOAJS-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41090;MM41090;C#CC(C)(CNN=C)OC;CQBKTYXUAUYDNS-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41091;MM41091;C=NN=CN(C)CC=NN;QMCVMNHBKTYSDA-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41092;MM41092;N#CC(O)C(=N)N;ILKXWZDQXWZOCY-UHFFFAOYSA-N;99.09;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41093;MM41093;C=CC(NC)C(=C)C=NO;QZAFOSDMOKAHLF-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41094;MM41094;C=CCNCC(=C)C=NO;FDHPQJOYJNHPCK-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41095;MM41095;C=C(CC=O)CC(C)F;NOVSSSZUGCYMMR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41096;MM41096;C=C(CC=O)CC(F)F;RFMDEVOTTZNUND-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41097;MM41097;C=CCC(=O)CC(C)O;AGGIKILZAFIRBO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41098;MM41098;NN=CNC(=CF)CF;BPWJGVLOWXFPKB-UHFFFAOYSA-N;135.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41099;MM41099;C=CNC(=O)CC(C)F;BHJHSJOTKISXLL-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41100;MM41100;N#CCN(C=N)C(=N)C#N;NIYPLLRYCGTKSC-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41101;MM41101;C=NNCC(CF)NN=C;WTBCUACLCXUYBF-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41102;MM41102;C=COC(=O)CC(C)O;FLCFJOIUFPJQTO-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41103;MM41103;C=CC(O)C(=N)NC=CF;NYCBIAPITKXCBT-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41104;MM41104;CNC(=N)N(O)C=CC#N;KVJUEBMXBXYIHN-UHFFFAOYSA-N;140.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41105;MM41105;CC(C)NC(=O)CC=O;GPAKOAHJRAYQRH-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41106;MM41106;C=NOCCN(C=O)CC;IPMHLBRZFFEMQH-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41107;MM41107;C#CCC=NNC;XOLWEWWZBHLWCF-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41108;MM41108;C=CNC(=O)NC(C)C;ICQVULSNINTCDT-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41109;MM41109;CC=C(N=CNN)C(C)O;JGMDLPLTHDYVQY-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41110;MM41110;CC(C)NC(=O)NC=O;AHQNFAWCUGINAL-UHFFFAOYSA-N;130.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41111;MM41111;C=CC(=NC(C)=O)N(C)N;XZTIHAOUMCKSHH-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41112;MM41112;C=NNCCCCF;UWVIMXHBZOLUIK-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41113;MM41113;CNN(C)C(=O)N(C)C;JMEPIRYFOZYOHN-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41114;MM41114;C#CC(C)N(C=N)N=C;DVYULBWNYWCEID-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41115;MM41115;CC(C)OC(=N)NC=O;LEAXSTKWIRBGAU-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Propan-2-yl N-ethenylcarbamate";MM01820;C=CNC(=O)OC(C)C;DHRJFTZTGSEQJO-UHFFFAOYSA-N;129.16;1.26;18980898;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41116;MM41116;CC(C)OC(=O)NC=O;YRBPEHUKMGFLTI-UHFFFAOYSA-N;131.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41117;MM41117;CNC(C)C(=O)ON=CN;ZPEKYRRBHHQEGM-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41118;MM41118;C=NNC(=NC=NC)NC;JUAKSRPWOQEVRF-UHFFFAOYSA-N;141.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41119;MM41119;CN(C)CC(=O)CC=O;CDFGYIKGXQJWIY-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41120;MM41120;C#CCC=CN(O)C=N;VAPUTMXIGWUUOR-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41121;MM41121;CNN=CCC=NOC;XHDPKNJHURETCO-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41122;MM41122;CON=C(C=NN)N(C)N;WBYKTAGJSUCPOB-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41123;MM41123;CCCNN=CCOC;WEENOEOJBXICSR-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41124;MM41124;C=C(C=O)CN(C)N=CC;QRNAPSVIYJNSLH-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41125;MM41125;C#CCOCC(C)NN=C;YWJFMJHIUNZOIS-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41126;MM41126;CN(C)NC(=O)NC=O;JLMRBSLMFZWYLM-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41127;MM41127;C=NOC(=O)NN(C)C;GJNAGGIFWREWRB-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41128;MM41128;C#CCC(=O)CC(C)O;KXILCWGBTUHTQO-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41129;MM41129;C=NNC(=N)C=C(N)C=O;TXHWOKXNWNFSDK-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41130;MM41130;C=C(CCO)CC(=O)O;FTECQAIBQDCYNS-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41131;MM41131;C=C(C)CC(=O)CCO;HDMBWLAGZDFJKI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41132;MM41132;CC(=O)CC(=O)CCO;PDGUDBZIXFKFGP-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41133;MM41133;C#CC(C)(F)C(=N)NN;MUJVDZGYPBDMGN-UHFFFAOYSA-N;129.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41134;MM41134;CC=NN(C)CC=NOC;KIYFREMKYVTHFZ-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41135;MM41135;CC(=NO)C(=NO)N(C)N;BFMGOXPHTICWGC-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41136;MM41136;C#CCC(C#C)NCC#N;WCGGYJRPVOQVHH-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41137;MM41137;CC(N)=CC(CCF)=NO;JCPGQNKBEMEXMI-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15888;MM15888;C=C(COC)CC(C)=O;XIQPEDTWSZNUNW-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41138;MM41138;C=C(OC)C(C#N)N(C)C;XFGOSINMKKKUCW-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41139;MM41139;COCC(=O)CC(C)=O;RZCMFVQMQKCVEN-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41140;MM41140;C=C(F)CC(=O)NCC;WVCOFFMPQSQRLS-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41141;MM41141;C=CN(OCC)C(=N)NO;OWUWUALYWGWIDH-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41142;MM41142;C=C(C)CC(=O)NOC;IXUGJZSIHKTAMB-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41143;MM41143;CC=NOCC(C#N)NC;GEJAYORRORIIJK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethyl 3-oxobutanoate";MM02404;CCOC(=O)CC(C)=O;XYIBRDXRRQCHLP-UHFFFAOYSA-N;130.14;0.53;8868;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-ethoxy-3-oxopropanoic Acid";MM03585;CCOC(=O)CC(=O)O;HGINADPHJQTSKN-UHFFFAOYSA-N;132.12;0.02;70615;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41144;MM41144;C#CC1NC1C#C;ZQLASBKBDRXPHC-UHFFFAOYSA-N;91.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41145;MM41145;C#CCN(C=O)NC;DZJCNXNACHXPKM-UHFFFAOYSA-N;112.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41146;MM41146;C=CNC(C#N)=NC;YZUXCCVOODOQQI-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41147;MM41147;CN(C)C(=N)C(C)(F)F;MYPXXBBFIDPBQA-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41148;MM41148;CNN=CCOC(C)C;QGQHKLIVPSEPLE-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41149;MM41149;C#CC(CO)NC;YSJHGGRDUPUHOS-UHFFFAOYSA-N;99.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41150;MM41150;CC(=NNC=O)N(O)C=N;NQOJFWXZKUDOMN-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41151;MM41151;CCCCN(O)C=N;DEQUADFUCFWMEY-UHFFFAOYSA-N;116.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41152;MM41152;CCCC(=O)NC(C)=O;IDVHWCVIBYZUKP-UHFFFAOYSA-N;129.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41153;MM41153;CCCC(=O)NC(N)=O;ZTMFJNLOLCXQPZ-UHFFFAOYSA-N;130.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41154;MM41154;CCCOCC=NNC;CVDKRVFIPMZJIJ-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41155;MM41155;C#CCC=NNCC=C;WBTZMEGBTYYEHF-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41156;MM41156;C=C(C)NC(=O)COC;CHOSHRZIFNIQML-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41157;MM41157;COCC(=O)NC(C)=O;MDLJRMFBCSCAQB-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41158;MM41158;COCC(=O)NC(N)=O;ZRSZWSTXAIJCAI-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41159;MM41159;CC(C=NN)=CCCCF;HXUGFJFHOBCYGN-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41160;MM41160;CC(=NO)C(=N)NO;MUHULAMGDOAEPO-UHFFFAOYSA-N;117.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41161;MM41161;C=CCCCN(O)C=N;OCOULWFKKVTSDH-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41162;MM41162;CCNC(=O)NC(N)=O;KLVNKESMMYNBSW-UHFFFAOYSA-N;131.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41163;MM41163;C#CCOC(C)C(=N)NO;FGGKKZOUILVYLE-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41164;MM41164;C=NN=C(NC=O)N(C)C;LECGLCRWNGVGNQ-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41165;MM41165;CN(C)C(=O)C=CC=NN;SFYSONMAQVWRKJ-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41166;MM41166;CCOC(=O)NC(C)=O;CLLOFODTUXGHHT-UHFFFAOYSA-N;131.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41167;MM41167;C#CCOC(C)CNN=C;QQUDBAAIKUXPAU-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41168;MM41168;C=C(CCO)OC(C)=O;IDPFDPFJQIASRR-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41169;MM41169;C=CC#CC(=N)N(C)N=C;VLRKQLBZOSSIIX-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41170;MM41170;C=C(C)OC(=O)CCO;DALBXNGPYGEHGJ-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41171;MM41171;CC(=NO)NCCCO;WUBOVKFPJALYAY-UHFFFAOYSA-N;132.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41172;MM41172;COC(C)OCCC=NN;VRETZCJJDHOLRG-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41173;MM41173;C#CC(=O)N(CC)NCC;KYBZKDWBAFFYJY-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41174;MM41174;C=NN(C=COC)C=NC;INRIYKVPIYBJFV-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41175;MM41175;C=CC(COC)=NNCC;SVFFCBUAEJQNEX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41176;MM41176;C=C(C)C#CC(N)CCO;ZPIXEEHHTKJFDJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41177;MM41177;CC=CN=C(N)C(=O)NN;URCUKVDWNZXEKE-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41178;MM41178;C=C(CC=O)CC(C)=O;ZQXKHUMLSAFHDZ-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41179;MM41179;COC=NN=C(NN)NO;WDJSITJSDWJNSI-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methylidene-5-oxopentanoic Acid";MM03728;C=C(CC=O)CC(=O)O;VOJAIALKUIKKGA-UHFFFAOYSA-N;128.13;0.61;89425965;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16038;MM16038;C=C(C)CC(=O)CC=O;WONAMBAZOPAPMW-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15634;MM15634;C=C(C)CC(=O)CC#N;BXMNVRGWFBJTAS-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,5-dioxohexanenitrile;MM02968;CC(=O)CC(=O)CC#N;JXGITHNUJLZQOE-UHFFFAOYSA-N;125.13;0.45;14165401;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41180;MM41180;CON=C(C(C)O)N(C)N;KMSKAXATDNKPEG-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41181;MM41181;CNC(C)(CF)CCO;SKZADJJHBRIAKD-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41182;MM41182;C=C(CC(C)=O)NC=O;BJFFYYSZQXPYSY-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41183;MM41183;C=NN=C(NNC)N(C)C;NXVASKBQTWUAPI-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41184;MM41184;CN=C(C)N(O)C=NC=O;PNKYXWVUZGEJRF-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41185;MM41185;C=CNC(=O)CC(C)=O;RBRNEJRTELJNAD-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41186;MM41186;CNN=CC(=N)N(O)C=N;DEZCOESHFQMKGO-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41187;MM41187;C=NNC(=O)CC(N)=O;QIAYAKQVJHIYSK-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15743;MM15743;C=C(CC(C)=O)OC=O;MWTHDEDXPWPGKD-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41188;MM41188;C#CC(CCNN=C)OC;RSOJTWSISXDABE-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-formyloxybut-3-enoic Acid";MM03567;C=C(CC(=O)O)OC=O;NEAUUNBPLLRTBX-UHFFFAOYSA-N;130.1;0.15;58218797;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-ethenoxy-3-oxopropanoic Acid";MM03550;C=COC(=O)CC(=O)O;NUDBSRINTSFGPT-UHFFFAOYSA-N;130.1;0.15;18179216;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15943;MM15943;C=NOC(=O)CC(C)=O;CQADQXWRXDYZKY-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41189;MM41189;C=NOC(=O)CC(N)=O;UEHQOXFKQKQPPB-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16391;MM16391;C=NOC(=O)CC(=O)O;URSIXBHVMQQADX-UHFFFAOYSA-N;131.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41190;MM41190;CC=COC=NNC(=N)N;QCXFFINFTUDKRF-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41191;MM41191;C=C(CC=O)NC(C)=O;UXWREYJKZRCWMF-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41192;MM41192;CCN(C=O)C=CC=NN;IMOXAOYAXTWPPY-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41193;MM41193;COCOCC=CC=NN;VCAAICKMRQAHCS-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41194;MM41194;C=C(CC#N)NC(N)=O;XWZIAWHXDZQWFQ-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41195;MM41195;C=C(C)CC(C)(N)C(N)=O;GRHOUWHNCHQFFS-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41196;MM41196;C=NOCCOC;VJNNWKIGTJBKIB-UHFFFAOYSA-N;103.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41197;MM41197;C#CC(C#N)NC(C)=N;JZJDLZJTPGWAMK-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41198;MM41198;N#CC#CCC(=O)C(=N)N;QJINDLUFQOLFCJ-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41199;MM41199;N#CCC(=N)NC(N)=O;PCXYRFUZNOGSJP-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41200;MM41200;C=C(C)NC(=O)CC=O;MPGSGEPFIFRYET-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41201;MM41201;CCON=C(CO)N(C)N;YIPASOHEUHACAM-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41202;MM41202;C=CCC(=O)NC(C)=O;LKXFXMBFMXASNN-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41203;MM41203;C=C(NC=O)NC(C)=O;ADIODRWRMHXOKE-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41204;MM41204;C#CC=CN(O)C(C)=NN;AXLZQCMHOOIRIR-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41205;MM41205;C=NNCC(N)=CC=O;SELZTSIIIVHXAS-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41206;MM41206;CNN=C(C)C=COC;GEPCQURETGFAOF-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41207;MM41207;CN=CNN=CC(C)(C)O;DEQUSANDJAWHJZ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41208;MM41208;COC(=NC(C)C)NO;KEAIYRYIRHGGFX-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41209;MM41209;N=C(C=NN=CCO)NO;OMHPFHRAJSPMBO-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41210;MM41210;CCON=C(NO)N(C)N;VXVLTVCXSBFRGH-UHFFFAOYSA-N;148.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41211;MM41211;C=CNC(=O)NC(N)=O;PZAURIINEHJGPF-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41212;MM41212;CCNCC(=O)CCOC;GDDMLJXLWAZQQJ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41213;MM41213;NC(=O)NC(=O)NC=O;NMYZHPHPUMBIRQ-UHFFFAOYSA-N;131.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41214;MM41214;CN=CNN=CCO;FZRIRHVJQYJRRL-UHFFFAOYSA-N;115.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41215;MM41215;CC(C)=NN=CC(=N)NO;NDGZVFKHQBWRBJ-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41216;MM41216;C#CC#CCC(=O)C(=N)N;GZMXAUVHDRPFRD-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41217;MM41217;C=NNC(=O)NC(=C)C;YTTSYHKQTKHXIJ-UHFFFAOYSA-N;127.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41218;MM41218;CNC(=N)C(F)C#N;RHBZRNHIECZAEM-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41219;MM41219;C=NNC(=O)NC(C)=O;QCAPPTQYWWLRIQ-UHFFFAOYSA-N;129.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41220;MM41220;CCNCC(=O)CCC#N;OGPCCPKPMPOESR-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41221;MM41221;C=NNC(=O)NC(N)=O;CANTVTZSTGQSSJ-UHFFFAOYSA-N;130.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41222;MM41222;CCNN(C=O)CC(C)F;MTAYCKNZJWGTSW-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41223;MM41223;C=C(NC(C)=O)OC=O;OLHBYTBFMRYGDG-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41224;MM41224;N#CCNCC(F)C=CF;AQZHDGWBGCFLHD-UHFFFAOYSA-N;146.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41225;MM41225;C#CCC(=O)N(C)C(C)=N;CNNMYNSXWVYNGC-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41226;MM41226;C=COC(=C)NC(N)=O;UWZZRCWBVDDBPI-UHFFFAOYSA-N;128.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41227;MM41227;C=NOC(=N)NC(C)=O;VGTXIJKFKWIDHI-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41228;MM41228;COCCN(C)C=NC=O;JEXQWBDNYGHHMW-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41229;MM41229;C=NOC(=N)NC(N)=O;FMBJPHKZCIFMFN-UHFFFAOYSA-N;130.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41230;MM41230;C=NOC(=O)NC(C)=N;TXTOLCUFSGNIFD-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41231;MM41231;CCNCC(=O)CC;KVPWUGMMUUWEPO-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41232;MM41232;CN(N)C(=N)ON=CNO;ZJMNFKZPQCMXQL-UHFFFAOYSA-N;147.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41233;MM41233;CNN=CCCN(C)C=O;MYMKKXRRLBLPGY-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41234;MM41234;C#CCOCCCNN=C;NQLPKLNGLDVKFG-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41235;MM41235;C=CCON=CC;RYOHYFBACBUHIN-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41236;MM41236;CC(C)OCC=NN;DSXWOXLJEGKVHZ-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41237;MM41237;CC#CC(F)C(=N)NN;CIGKRFBOVILDMD-UHFFFAOYSA-N;129.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41238;MM41238;C#CCN(N=C)C(=N)NN;YOVNMOFYPSOLOA-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41239;MM41239;N=C(NC=O)OC(N)=O;QVADHLQPCHLTME-UHFFFAOYSA-N;131.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41240;MM41240;C#CC(=O)N=CN(N)CC;CRZDDIPNMOLOIS-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41241;MM41241;CNN=C(C(C)F)N(C)N;UZQZRQZYNDCFFN-UHFFFAOYSA-N;148.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41242;MM41242;C=CCNC(C=NN)=NN;SUOZGIZBGCPLPV-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41243;MM41243;CC(=N)N(C=O)C(C)C;FDQWQVJWBIKNBG-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41244;MM41244;C=CN(C=O)C(=N)CC;GFVRSXSVXMQJQO-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15993;MM15993;C#CCC(=O)CC(C)=O;JZWFINCXUZZTHB-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41245;MM41245;C=NNCC(OC)OC;XOYCZSRESSDMNN-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41246;MM41246;C=NOCCNCC#N;FTBSSXOZTWOJQS-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41247;MM41247;CN(C)N=CNOCC#N;KYEADLLIHIVTLY-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41248;MM41248;CC(O)CC(O)C=CF;BAZRSVGJOMCVFK-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41249;MM41249;CON=C(CN)C(F)F;YYLHJGJAOIXPOB-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41250;MM41250;CC(C)CC(O)C=NO;PTNGBDGKORXXGZ-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41251;MM41251;C=C(CC=O)NC(=N)OC;ZLLHADOBPJXZII-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41252;MM41252;CC(O)CC(F)C=NO;HBVWVXWCOCIIJR-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41253;MM41253;CC(C)CC(F)CC=NN;UWOHCBPFFOQHNA-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41254;MM41254;C=NN(C)C(C)=NN(C)C;KDIIRQZIKBGDQB-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41255;MM41255;NN=CON=CC=C(N)N;VVCZZRDHAYJWNM-UHFFFAOYSA-N;143.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41256;MM41256;CCC(C)C(F)CC=NN;YLPWYRUTTMDSQD-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41257;MM41257;C=NNC=C(C#N)C(=N)N;PBLCHGBLOYTHDH-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41258;MM41258;CN(C=CC#N)C(=N)C=O;CANXSJSFFFVAAS-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41259;MM41259;C=CNC=NN;URVGKIBSQAWCIK-UHFFFAOYSA-N;85.11;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41260;MM41260;C=CN(C)C=NN;MDNZZFBAQOVGQI-UHFFFAOYSA-N;99.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41261;MM41261;CC(F)CN(O)C=NO;JBXVUVHPSXAWOL-UHFFFAOYSA-N;136.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41262;MM41262;CNN=CCCN(N)C=O;QXUDFVUBWDSKDE-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41263;MM41263;CC(C#N)N(C=N)OC=O;DOSOLTGMVRVQRI-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41264;MM41264;CON=C(C=O)C(C)=CN;GPSXWOBKXRCBQA-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41265;MM41265;O=C(O)CC(O)C=CF;QESLDIXGJCKLHG-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41266;MM41266;CC(C=NN)CC(=O)O;MBPWYIJSNQIRDH-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41267;MM41267;C#CCC(CNN=C)=NN;GDRDSEJCWKVJFU-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41268;MM41268;C=NNCC(=COC)OC;SAWDEVHWQOWLDI-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41269;MM41269;CC=CC(C)NC(N)=O;FIVMOMKINJPZLP-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41270;MM41270;CC(C=CF)NC(N)=O;MNLPVOKYFPVNHD-UHFFFAOYSA-N;132.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41271;MM41271;CN(C)C(N)=CC#N;IPCXNRMTXUVTFH-UHFFFAOYSA-N;111.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41272;MM41272;C=CC(=NNC)NCCF;CHWJBEMDJAZQST-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41273;MM41273;CN(C=CF)C=NC=NN;QSIMAAJMZKLRNL-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41274;MM41274;C=NNC=NC(N)=CC=O;KHKWAZKLSCWLLV-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41275;MM41275;CC(=O)CN(O)C=NO;NXIMYJYQKJFKRO-UHFFFAOYSA-N;132.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41276;MM41276;CN=CNN=CCF;DKPJFTYZXQWSPX-UHFFFAOYSA-N;117.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41277;MM41277;CN(C)C=NNC=CC=N;SXWDZNQXVGXLPQ-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41278;MM41278;CC(CN(C)C)OC=NN;IQUIJRODWHBFHJ-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41279;MM41279;CN(C=NO)OC(N)=O;UCGUHPYGAPHPDM-UHFFFAOYSA-N;133.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41280;MM41280;C=COC(C#N)C(=N)NC;MXQFRFMIUHVKFH-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41281;MM41281;C#CC(CNC)NN=CC;NSIRBNYPXYHKSP-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41282;MM41282;CC(C)OC(=O)C=CN;NZZAOQZBPDCYGN-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41283;MM41283;C=C(C)C=NNC=NC;QFUQQMRVUTVAKH-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41284;MM41284;C=NOCC(C)=NN;XJKHKFILZLWJJZ-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41285;MM41285;CCC(=O)N=CN(N)CC;ZXGIGHSFENVUBM-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41286;MM41286;C#CCC(C=C)=NN;SDVOLWPASFKSEP-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41287;MM41287;C=C(C=CF)CC(N)=O;JDAWMRSOCAEGED-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41288;MM41288;C=C(C)CC(=O)C=CN;LILHNUNMKVMFHA-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41289;MM41289;C=C(C=NN)CC(=O)O;HFKRNQKROZJMOS-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41290;MM41290;C=NN(C)CC=NOC;CVHRXRIWJCKWBM-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41291;MM41291;CN(N)C(CO)=NO;JNXNYEQVZKUEFC-UHFFFAOYSA-N;119.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41292;MM41292;C=CN(N)C=NC(C)=NO;PCHIOGPQJLYAPR-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41293;MM41293;CC=CC(=O)NC(N)=O;NSSJZLJAIGHPRT-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41294;MM41294;C#CC(O)(C#N)CN(C)C;AEVZUOLIJZWNMJ-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41295;MM41295;C#CCN(C)C(=N)C=O;REFWSCXYVRAKEH-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41296;MM41296;C#CCOC(=NO)N(C)N;JGPSXWYQSPTSBR-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41297;MM41297;COC(=NO)N(C)N;TVONNJMFHGPKPT-UHFFFAOYSA-N;119.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41298;MM41298;CCN(C(C)=N)C(C)=O;NMGAUTLQIXDREA-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16503;MM16503;CC#CC(O)CC(=O)O;ZJLJAOKJPASQCQ-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41299;MM41299;CC#CC(F)CC(N)=O;LJWFTIPHUKDTPU-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41300;MM41300;C=NOCC(C#N)NC;PLYQIQRUTNAXAR-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41301;MM41301;CC#CC(C)NC(C)=O;ZOLCEFXAXCRHFV-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41302;MM41302;CC(C#N)=NN(C=N)C=N;RICTYLVNKBOFMX-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41303;MM41303;CC#CC(C)NC(N)=O;HNRAQROHMWEXAP-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41304;MM41304;CC#CCN(C)C(=N)C=O;BXPWAMQVQQMQBU-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41305;MM41305;CC#CC(=O)NN(C)C;OFJMBPSODVDBAZ-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41306;MM41306;C=CCOC(=NO)N(C)N;ZOSPFMHZRVXJPE-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41307;MM41307;C=COC(CNN=C)OC;WSXOWTSJQLMBEB-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41308;MM41308;CC#CC(=N)NC(C)=O;JZQJZJMFSWWZHO-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41309;MM41309;CCOC(=NO)N(C)N;XDNDYDDLLINXPL-UHFFFAOYSA-N;133.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41310;MM41310;CN(C=N)C=NNC=O;KVGFLTXJJWBGST-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41311;MM41311;CC(C)OC(=NO)N(C)N;IESYFXOPGLDRCG-UHFFFAOYSA-N;147.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41312;MM41312;C#CCN(CC=NN)N=C;QPRZUACYXNMAPI-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41313;MM41313;COC=CC=NN;AHCRPYDEGVQEDQ-UHFFFAOYSA-N;100.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41314;MM41314;CC(O)(C#N)C(=N)N;DWHOQZNODQRJJL-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41315;MM41315;CC(O)CC(F)=CCO;HBRCPGAJYXYSER-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41316;MM41316;C=NNCC(=C)C=O;ILQAMBBAMFUNQN-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41317;MM41317;C=NNC(C)C(C)(C)F;NWNZPPKQLCGLFL-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41318;MM41318;CCCOC(=NO)N(C)N;JMCLAVDZIVWNTJ-UHFFFAOYSA-N;147.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41319;MM41319;C=C(CNCC#N)OC;FQYKWRPJLQOVTD-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41320;MM41320;C=CCC(=N)N(C)C=O;XGOUZPOPNDVHKC-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41321;MM41321;C#CC#CC(O)(C#C)CN;NCIMNFYMXNNMOF-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41322;MM41322;C#CC(O)C(=NN)C(=N)N;VSKFOCGOMRLXQA-UHFFFAOYSA-N;140.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41323;MM41323;CC(=NO)NCCCF;KBEMJKYMAFXNCL-UHFFFAOYSA-N;134.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41324;MM41324;C=NN=C(NN=C)N(C)N;JMQCFQRGYCGMAN-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41325;MM41325;C=NNCCOCOC;WGYROAUAPIIQOR-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41326;MM41326;CC(=O)CC(C)=CCO;KCKUENCNCLPQDS-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41327;MM41327;CC(=CCF)CC(N)=O;KIZFOKZTDJMJLG-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41328;MM41328;COC=C(C)CC(N)=O;RLYPXQDZHHLPQR-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02542;MM02542;COC=C(F)CC(C)=O;MXGRSBARWJNACC-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41329;MM41329;C#CCN=CN(C)OC=O;UITXYZTZLDFQHI-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41330;MM41330;C=CC(O)C(C)(F)CNC;MXHARQPGUYBIEZ-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41331;MM41331;C#CC(N)C(C)(O)C=CF;UOXLHSJXXRHORP-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41332;MM41332;C=NN(C)CC(OC)OC;QVEFPKCWQVCZSD-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41333;MM41333;C#CC#CC(=O)C(N)=NC;VCVDQSRSCNCBGL-UHFFFAOYSA-N;134.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41334;MM41334;C=CC(O)C=NNC=NC;YGTWUASQXJIWKP-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41335;MM41335;CC(=O)NC(C)=CCO;FEIZZXXHXLPRHA-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41336;MM41336;C#CC(C=CN)=NOC=O;FCCSEKUYCOFQJH-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41337;MM41337;CON=C(C)NC(N)=O;WCILGAZRVUSCEC-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41338;MM41338;CON=COC=CC=NN;ADHVONFIHMTSMM-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41339;MM41339;C#CCNN=CC;QLVZSBQZLFJHGJ-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41340;MM41340;C#CC(=C)CNN=C;ZHQCMIXZRSLLIM-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41341;MM41341;C#CCC=NNCC;GTEOPPRLTSDNRA-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41342;MM41342;C=CC(=C)NC(=N)C#N;YRKAOHGQAZYZEL-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41343;MM41343;CC(=CC#N)CC(N)=O;HABCJDKQJWQRQW-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41344;MM41344;CC(=O)CC(N)=CC=O;TUUILSDSWJIKRM-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41345;MM41345;N#CCN(O)C(=N)CO;GQOYZOXMQYLVGQ-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41346;MM41346;C=C(F)CC(N)=CC=O;RQUBFBSPNYJVOP-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41347;MM41347;CONC(=N)C(C)(C)O;ILWGESNDIJADHK-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41348;MM41348;C#CC(C)=NNC(=N)CO;YAKMEAWHPDPRRA-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41349;MM41349;N#CC=C(F)CC(N)=O;COJMAOCXIWSVRE-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41350;MM41350;C=NN=C(C)CC(N)=O;XWPSUSKBFBNECW-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41351;MM41351;C=NN=C(C)CC(=O)O;JBJZQKWWURSODW-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41352;MM41352;C=NNC(CC)C(C)F;LGGKNMPDLJQJEZ-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41353;MM41353;C=CC=C(C)NC(N)=O;NHFHWVIUESTVOY-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41354;MM41354;C=C(C)C#CC(C)(N)CO;WLSGYYFKQLBPRS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41355;MM41355;N=CN(O)C=NC=O;FEWOEISMIDOEHC-UHFFFAOYSA-N;115.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41356;MM41356;CC(F)CC(C)CC=NN;UATWAQDARRNKGH-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41357;MM41357;CN=C(OCC=O)N(C)O;YIQMGRVCLYIOEU-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41358;MM41358;C#CC(=NNC)C(=N)NO;GUWZANAUGRXMFX-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41359;MM41359;C=NN=C(C)NC(N)=O;VIIXPGFCLXOYDX-UHFFFAOYSA-N;128.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41360;MM41360;CCON=CN(C)CC#N;HCGQERHHLFCHNX-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41361;MM41361;C=C(C=NNC=NC)CO;QMERORNDWYWPCX-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41362;MM41362;C#CC=C(C)NC(N)=O;YLHBVLVZMKTYPI-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41363;MM41363;CC(=CC=NN)CCCF;RBHKJQZMHVZVBT-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41364;MM41364;CC=CC(=N)N(C)C(N)=O;JLSNQGDVROUKJW-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41365;MM41365;CC(C)=CC(O)CCF;AQLBINGHVNZQTJ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41366;MM41366;CNC(C)(C#N)CCC=O;RKQCFVBZKKWWRU-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41367;MM41367;C=CC(=N)N(CC#N)N=C;BCIKRXBFQUPJAG-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41368;MM41368;CCNC(=NOCC)OC;MHFDUTYFSGRZJC-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41369;MM41369;CCC(CC=NN)C(C)F;VROMWAOGSPYTBM-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41370;MM41370;C=CC(F)C(=NN)N(C)N;CJCNOTGZYBUAKF-UHFFFAOYSA-N;146.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41371;MM41371;C=NNCC(=CC)C(C)F;HWEGMGSLNYVRDM-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41372;MM41372;C#CCN(C)N=CC;UVOVVMOTMGGMNP-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41373;MM41373;CNN=CC=COC;GGKWBVIOXFEGMG-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41374;MM41374;COCC(O)C=C(C)C;KWHUKVNNZBOJLH-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41375;MM41375;COCC(O)C=C(C)F;DAROOHRFVWFZSC-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41376;MM41376;CC(C)=CC(O)CC=O;SQXNYHYJWZKNNU-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41377;MM41377;O=CCC(O)C=C(F)F;JYXVQMUUFZAQKM-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41378;MM41378;C=NNCC(C)(F)CC;MYVCRBVHTPWYGU-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41379;MM41379;C=NNC(C)C=NOC;IIRVEIJUAHVTRI-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41380;MM41380;C=C(C)C(=O)N(C)C=N;RUIPTAMEGNCMMR-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41381;MM41381;CC(C)=CC(=O)CCO;GUBJVXQICOXEMA-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41382;MM41382;CC(C)=CC(=O)CCF;APCHIGYSIGVDCF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41383;MM41383;CC(N)=CC(=O)CCF;ARESXGJVEGPBLR-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41384;MM41384;C#CC(C)C=NNCC;CYHCRBLEGAJHLZ-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41385;MM41385;C#CCNN=C(C)C=C;ZWDOTDKBNWFYNB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41386;MM41386;COCC(=CC#N)N(C)C;RPKWGULZUKTZGR-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41387;MM41387;NCC#CC(=CF)CO;QMTRXGXKPVKEDD-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41388;MM41388;CC(N)=CC(=O)CC=O;UUYGDVIBEWGFDX-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41389;MM41389;CC(N)=CC(=O)CC#N;FIAHUJNXELEIKQ-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41390;MM41390;C#CC(C=O)(C=O)N(C)C;XUNWVWRMNSMEEY-UHFFFAOYSA-N;139.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41391;MM41391;N=C(N)N(C=CF)C(N)=O;GIYDTGHCOOMWSH-UHFFFAOYSA-N;146.13;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41392;MM41392;CC=C(C)C(=N)N(C)C=O;FWTSYMPMAGPUDL-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41393;MM41393;CC(C)=CC(=O)NC=O;IRAAOBVWEVDTCX-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41394;MM41394;CC(=N)N=CN(C)C=NN;GRFGGNLSQPAZNG-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41395;MM41395;N=CN(C=N)C(=N)C=NN;ZJKLQTBYQVHTCB-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41396;MM41396;C=COC(=O)C=C(N)N;DLXPFGHMTHVIMU-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41397;MM41397;C=C(CO)NC(C)=NN;HUCOZTXBMGWSAO-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41398;MM41398;C#CC(C)NN=CCC=C;WTDCMVDPTNUCQJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41399;MM41399;C#CCC(=O)C=C(C)N;XAFLKQXWNBWWGF-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41400;MM41400;C#CCC(=O)C=C(N)N;MDPBWLBSOVWFJS-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41401;MM41401;CC=CN=CNC(=N)C#N;SSSCIZWFURFYJP-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41402;MM41402;CC(C)=CC(O)C=NO;SENPJMFVSFRHJC-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41403;MM41403;CON=C(C=C(N)N)NN;OZTJDQMIDCREOR-UHFFFAOYSA-N;145.17;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41404;MM41404;CON=C(CC=NN)NN;CSCXTEOFPKGTFE-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41405;MM41405;CC(N)=CC(=O)C=CF;CMDICFLRFPMORB-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41406;MM41406;C=NN(C(C)=N)C(C)C#N;OMRNRRCFEPNQSU-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41407;MM41407;C#CC(F)(CC)C(=N)NN;QBGDIJAHISXWIH-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41408;MM41408;CCCN(O)C=N;PNUDNSHEBHMLAB-UHFFFAOYSA-N;102.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41409;MM41409;CC#CC(=O)C=C(C)N;MNOMTCGBBFPWPC-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41410;MM41410;C=NN(C=NC=N)C(C)=N;LKPLFCKQJGFUHI-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41411;MM41411;CC(C)COCC(=N)NO;LAFACXVEXUYFSC-UHFFFAOYSA-N;146.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41412;MM41412;CCC(=O)C(C)C(=N)NO;MHKGUEMGVRWBDW-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41413;MM41413;CC(O)C(=NO)N(C)N;RJIIZHJHENKRHK-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41414;MM41414;C=NOC1CC1;QVWAUOBFOVCNAX-UHFFFAOYSA-N;85.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41415;MM41415;CNC(C)(C#N)CF;YBEDYBJMWRVBNK-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41416;MM41416;CON=C(CC=NO)NN;PEWDYOOYICUSCQ-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41417;MM41417;C=NOCC=NNC;AVLXGHTYKNYFOR-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41418;MM41418;C#CC(=N)NC(C#C)=NO;FCFBDNICBHDGEM-UHFFFAOYSA-N;135.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41419;MM41419;C=NNC(C)CC(C)F;ZCLSILAJJMTELW-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41420;MM41420;CON=CN(C)CC#N;JRPPULKCJCVMOU-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41421;MM41421;C=NN(C)CC=CC=O;HPXGCRUQVYCQBJ-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41422;MM41422;CC(N)=C(C)C=NO;PMUXTMDIJNLKND-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41423;MM41423;CCNC(=NOC)OC;VTMCEWJGWSGMPS-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41424;MM41424;CC=CCNCC(=N)NO;BUSHOLJWCFWXLJ-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41425;MM41425;C=C(OC)C(C#N)NC;FILWTEPHQWKJON-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41426;MM41426;CN=CNN=CC(O)C#N;TYYIXLUREMMPLL-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41427;MM41427;COC(C)CN=C(N)C=O;IVRFSIBPAAXURG-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41428;MM41428;C=NNCC(=C)CCCF;ZVNBEZXXTVYBAF-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41429;MM41429;C#CCC(CNN=C)OC;PMDMYMBVBNMJQZ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41430;MM41430;C#CCNN(C)C(C)=NO;GMJWFXUHRICVMR-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41431;MM41431;CC(O)C(=N)NN=CC#N;ZJUAIKVKANPSMR-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41432;MM41432;CCOC(N)=CC(C)=O;BSIRSHOHZPLKID-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41433;MM41433;CC(=O)C=C(N)CC=O;PJDVHTQCFGYDEU-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41434;MM41434;N#CCC(N)=CC(=O)O;SEHAGDTYRABDBD-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41435;MM41435;C#CC(CNN=C)COC;FKUMECBYNYMLOU-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41436;MM41436;N#CCC(F)=CC(N)=O;KNXBHWJYIRUZDE-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41437;MM41437;C#CC(=CC(=N)NO)NC;CZUIEHCVBLZLSM-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41438;MM41438;NNC(=NC=O)NOC=O;HRIMDHMDBGFWTD-UHFFFAOYSA-N;146.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41439;MM41439;C=COC(N)=CC(C)=O;PQIYAGNTRCBCQZ-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41440;MM41440;C#CC(C=NN)CC;SEFQVKKRWJFIDJ-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41441;MM41441;N=CN(C=N)C=NC(N)=O;YHZZRKZKBWOHBD-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41442;MM41442;NC(=O)C=C(N)OC=O;OLQVLVRNKABGDS-UHFFFAOYSA-N;130.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16354;MM16354;C=COC(N)=CC(=O)O;WZQDUVQZBYAVHD-UHFFFAOYSA-N;129.12;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41443;MM41443;C=NNCCCC(C)F;ALYATMVDGRBNRH-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41444;MM41444;C#CCC(N)=CC(C)=O;NSHDNFSTFFVWMK-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41445;MM41445;C=CC(=N)N(O)C=NOC;OEFUQHLQVMRHRR-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41446;MM41446;CN(N)C(CO)=NOC=O;POFBZUPPCNPDHC-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41447;MM41447;C=NNCC(C)C(C)F;YCZXLUWXBWDXGD-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41448;MM41448;Cc1cc(C)oc(=O)c1;IXYLIUKQQQXXON-UHFFFAOYSA-N;124.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41449;MM41449;C=CC(=C)N(C=O)NCC;KYKIBKOBIANVIA-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41450;MM41450;Cc1cc(C)oc(=O)n1;SWHWTFPLTYGXCK-UHFFFAOYSA-N;125.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41451;MM41451;Cc1cc(=O)cc(C)o1;VSYFZULSKMFUJJ-UHFFFAOYSA-N;124.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41452;MM41452;CCN(C=O)CCC=NN;VUAKJYHIORIBLS-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41453;MM41453;Cc1cc(=O)nc(C)o1;DBODUVLJJPFRNN-UHFFFAOYSA-N;125.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41454;MM41454;CCC=NOC;UNDQLSZWXMSOHB-UHFFFAOYSA-N;87.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41455;MM41455;C=COCC(CO)N(C)C;JKLKNLMOJYHXQX-UHFFFAOYSA-N;145.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41456;MM41456;CC(F)CNCC#N;FTIDQFCURKOOSM-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41457;MM41457;C#CC=CCNN=C;PDPNJICYZCVWRT-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41458;MM41458;CNC(=O)ON=C(C)NC;XRFJLOOWNIASSQ-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41459;MM41459;C#CC=NN=CC(=N)NO;UHGPBEQMAJPTMJ-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41460;MM41460;CC(CF)NC(=N)C#N;HPPIZPHETPUFLA-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41461;MM41461;C=NNCC(C)CCF;LHGSTVCFABWDCW-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41462;MM41462;CCNN=CN(C)O;KMKFDWQLGPNWDW-UHFFFAOYSA-N;117.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41463;MM41463;C=CC=NNCC(N)CO;SYGCHDSYLPGCJK-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41464;MM41464;CCCNN=CN(C)O;KSSAABARJUAYBX-UHFFFAOYSA-N;131.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41465;MM41465;C=C(C)C(=N)N=CN(C)O;PHSMBHIPUOSVLO-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41466;MM41466;CC=C(N=CN)C(=O)NC;LKRMUJCIRDPUHK-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41467;MM41467;CC(CO)C(C)(F)CO;VBUPSZSMTLXDQM-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41468;MM41468;C=CCN(C)C=NC=O;QSFRVINAHSGCGK-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41469;MM41469;C=NN=CN(N)C=NC=O;HZZFNNBIKNEGGE-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41470;MM41470;CC(C)OC(=N)NCCO;SNCMVBQMLYSQBG-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41471;MM41471;CN(C=O)CC=CC=NN;AEAYMEZCSJYNIY-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41472;MM41472;C#CC(=N)N(CC=O)OC;ZJSJMZRMBYOTIH-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41473;MM41473;CCC(C)(F)C(O)CO;UYCLHMSWHCNQSZ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41474;MM41474;CCC(O)C(C)(F)CO;SYPTXHDZOUOCKS-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41475;MM41475;C=NNCC(=CC=O)NC;FNASEINAPWSYBY-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41476;MM41476;C=NNC(C)C(OC)OC;FUCBMSBYQBFYNX-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41477;MM41477;C#CC#CC(F)C(=N)NN;FXCAIIDPVKAHNR-UHFFFAOYSA-N;139.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41478;MM41478;C#CC(C#CCN)=CCO;QUZDRVQUOGMDKB-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41479;MM41479;CC=NOC;KAAHHLOYOIUHHH-UHFFFAOYSA-N;73.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41480;MM41480;C#CC(F)=CC(=NN)NN;ARAREPQBQLOTAJ-UHFFFAOYSA-N;142.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41481;MM41481;CCON=CC=NNC;NEYBFJWSHNLVRT-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41482;MM41482;COC(C)C(C)(O)CO;PGCFLELIKUBSJS-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41483;MM41483;C=NNC=CC(=NC)OC;AAXPGFOWVJTLBP-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41484;MM41484;C=NNC(=N)C=COC;NHODATODUQOKFE-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41485;MM41485;CC=CCC(C)(N)C(N)=O;GYBFHWDSBZXYFX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41486;MM41486;COC(C)(C)C(O)CO;BDTNSRZTIYNFKA-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41487;MM41487;COC(C)(C)C(O)CF;LHMZIPJQELHKDF-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41488;MM41488;COC(C)(C)C(F)CO;OWNSSOURTDOISQ-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41489;MM41489;CCC=NOCC;WUYBFYUAQNPWPT-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41490;MM41490;N=C(C#CCF)NC=NO;GGZNVLDUIQVVLX-UHFFFAOYSA-N;143.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41491;MM41491;C=NNC(=N)NC=CF;WBWAEALDAJBXLW-UHFFFAOYSA-N;130.13;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41492;MM41492;CC(C)(CO)C(O)C#N;YRISILVEKHMLPL-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41493;MM41493;C=NNC(C)(C)C=O;LYNYUBCJCWVSNR-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41494;MM41494;CNC(=NN=COC)NC;GEGWDDVTQRPKBW-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41495;MM41495;N=CNC(=NO)C(N)=O;LDXAKMNXCFORDA-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41496;MM41496;CC(C=O)C(C)(O)CO;CRGZXITXMZLFII-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41497;MM41497;CC(C#N)C(C)(O)CO;JWMYAMZAEQHFJU-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41498;MM41498;CC(C#N)C(C)(O)CF;RWAQZBMUEYEHED-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41499;MM41499;C=CC(O)C(C)(O)CC;VKRLIWLEWPIETA-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41500;MM41500;CCC(C)(O)C(O)C#N;PBYVVKNFCYCOQI-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41501;MM41501;CC(O)(CO)C(O)C#N;BIMTXHMIUAINIR-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41502;MM41502;C=CC(F)C(C)(O)CO;IPWJPOBKTWXJGH-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41503;MM41503;CC(F)(CO)C(O)C#N;FUFDFEUVDFNLSU-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41504;MM41504;C#CC(C)NN=CC;NZPOZWFFACZINZ-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41505;MM41505;N#CC=NN=CC(=N)NO;WRHSVPQJLRRTPE-UHFFFAOYSA-N;139.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41506;MM41506;COC(C)(C)C(O)C#N;DITJDQDHSVSSRD-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01673;MM01673;COC(C)(C)C(F)C=O;LQJMHJBLHVLPRK-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41507;MM41507;CC(C)NN(C=O)CCF;HHQDJNLSDHTAIU-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41508;MM41508;CCNCC(C)=O;OBPPXHYAIUTNAW-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41509;MM41509;C#CCC(F)CNCC#N;FGLLCFSQANAHTI-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41510;MM41510;CNC(=NN=CC=O)NC;FWQWXXFFWFHQGL-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41511;MM41511;CNC(C)C(=O)CCF;RGTJMZSAZIOXKL-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41512;MM41512;N#CCNCC=C(F)C=O;PVMDEMXNYYQWTH-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41513;MM41513;CCNNC(=O)NC(C)=N;AEPUJULPWUDPLZ-UHFFFAOYSA-N;144.18;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41514;MM41514;C#CC(O)C(C)(O)CC;SDPRUNUCHDNKBN-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41515;MM41515;C#CC(O)C(C)(O)CO;PVYTUKKXGQHXCG-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41516;MM41516;CC(=O)C(C)N=CN=CN;YRQLPQKQZBAZFN-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15336;MM15336;C#CC(O)C(C)(F)CC;JEJDOJHZQSWUBE-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41517;MM41517;C#CCCC(=O)C(C)NC;CHASYDNYHBXPOQ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41518;MM41518;C#CC(O)C(C)(F)CO;GRCCYRHXOJMJBZ-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41519;MM41519;C#CC(F)C(C)(F)CO;LFJYGTCVXVOHLG-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41520;MM41520;C=NN(CC)CC=NOC;HMONSRMJQAKVPW-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41521;MM41521;C#CC(O)C(C)(C)OC;GGZJNNUCHDCDEQ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41522;MM41522;CNC(C#N)C(C)F;ZTOSIGLDJQZBNF-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41523;MM41523;CC(C)(C=O)C(O)CO;QDWNHQDGNQQADZ-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41524;MM41524;C#CCNN=CC=C;ULAYFUWNBDBQIN-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41525;MM41525;CON=C(C=O)C=C(C)N;SSHHOVOSIRZJKE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41526;MM41526;C=NNCC(C)(OC)OC;AIIBWDAQNLKENJ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41527;MM41527;COC(C)C(=NN)N(C)C;SDMOKVLQUDBNQJ-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41528;MM41528;C=CC(C)(O)C(C)CO;LHCQDLLTFHPWJS-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41529;MM41529;CC(CF)C(C)(O)C=O;YALZQLUQIGFKDH-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41530;MM41530;C=CC(C)(O)C(O)CF;SXHNYLMNPDRYBS-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41531;MM41531;CC(O)(C#N)C(O)CO;SMVKEZKEUORSAX-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41532;MM41532;C=NN=C(NC=N)NC=N;VTEDUHAEGDUDMG-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41533;MM41533;C=CC(C)(O)C(F)CO;NLKLOYRAOINIAS-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41534;MM41534;CCC(F)C(C)(O)C=O;PLLXJYSOHAOCAK-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41535;MM41535;CC(O)(C#N)C(F)CO;YYAVBLKIHWGRIW-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41536;MM41536;CC(CO)C(C)(F)C=O;XRVDHCXNMURXKG-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41537;MM41537;CC(CO)C(C)(F)C#N;AXZUXQSUSOETEG-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41538;MM41538;CNC(C#N)C=C(F)C=O;AJSFUSSSUMYZHT-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41539;MM41539;C=C(C)N(N)C(C)=NO;VBEPNAOQHXMSEV-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41540;MM41540;C#CC(=NN)C(=N)NC;HPVNDRPILFHQTF-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41541;MM41541;C=CC(C)(F)C(O)CO;PBGRHPHDUUWRKT-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41542;MM41542;CCC(O)C(C)(F)C=O;SIFQGXRINXSXLD-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41543;MM41543;CC(F)(C#N)C(O)CO;HNEDOWXWRYLLHE-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41544;MM41544;C=CN(C=O)NCC(C)C;YFGNSGCHWPDNSC-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41545;MM41545;C=NN(C)C=NC=CC=O;CCAUWJNGUJGQQI-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41546;MM41546;C=NNCC(OC)OCC;VWGWXLSETKJPIO-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41547;MM41547;COC(C)C(C)(O)C#N;YTKXULCINLXIDY-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41548;MM41548;CC(C)(C=O)C(O)C=O;LOUHJSYYTNSRBN-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41549;MM41549;CC(C)(C#N)C(O)C=O;SEDYOKUSGAWLEG-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41550;MM41550;CC(C)(C#N)C(O)C#N;LPVVECYRRCOUJE-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15299;MM15299;C=CC(C)(C)C(F)C=O;ZLZPZGAFBWYPKZ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41551;MM41551;C=NNCCNC=CC=O;PTHNZSGYEBHBQW-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41552;MM41552;CC(C=O)C(C)(O)C=O;BVSDZWGZPIJQCB-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41553;MM41553;CC(C#N)C(C)(O)C#N;LLJYTKZGUDFYCC-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41554;MM41554;C=CC(O)C(C)(O)C=C;GZVPPOYOZBDTCD-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41555;MM41555;C=CC(C)(O)C(O)C#N;HDRDGCZXBCUVNZ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41556;MM41556;CC(O)(C=O)C(O)C=O;NUHRTSFMSDZSTE-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41557;MM41557;CC(O)(C#N)C(O)C=O;MLPSQVDCUNWHBL-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41558;MM41558;CC(O)(C=O)C(O)C#N;JSWHRGXPJGRGDB-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41559;MM41559;CC(O)(C#N)C(O)C#N;SDMOINOVYIIGSQ-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41560;MM41560;C=CC(C)(O)C(F)C=O;NDHOMUQKMDGLLF-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15321;MM15321;C=CC(F)C(C)(O)C#N;NSIVXPXNASKFHI-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41561;MM41561;CC(O)(C#N)C(F)C=O;QUZOLGUTQVAZRS-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41562;MM41562;CC(O)(C=O)C(F)C#N;ONQUOKXSFHGKAR-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41563;MM41563;CC(O)(C#N)C(F)C#N;ZFKCTXZRXCMPBU-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41564;MM41564;C=CC(C)(F)C(O)C=O;JPPJGUXSXQTVCF-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15320;MM15320;C=CC(C)(F)C(O)C#N;UGHNLJATXHKDRL-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41565;MM41565;CC(F)(C#N)C(O)C=O;QWOXFDBHXFCKLX-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41566;MM41566;CC(F)(C=O)C(O)C#N;NYZWGEWHQKWFGS-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41567;MM41567;CC(F)(C#N)C(O)C#N;PVHNYAPYJMHEIL-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01628;MM01628;CC(F)(C#N)C(F)C=O;SZHSRDIMMUIZSP-UHFFFAOYSA-N;133.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41568;MM41568;C=NOCC(C)OC;QINOYRJOMMUQNS-UHFFFAOYSA-N;117.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41569;MM41569;C=NN(C=N)C=CF;BBRHUVHMNXLUSD-UHFFFAOYSA-N;115.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41570;MM41570;C=NN(C)C(C)(C)C=O;YSGMPRRPZFHJCZ-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41571;MM41571;C#CCNN=CC(=C)C;SBBDDBVMZRISAT-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41572;MM41572;N#CC=NNC(=N)CO;IATLIBQFRJZVNW-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41573;MM41573;CN=C(CF)N(C)OC;TWXJFQVAURACJZ-UHFFFAOYSA-N;134.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41574;MM41574;C=NNC(C)C(C)=NOC;YVIKHQSZZFVYCG-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41575;MM41575;C#CC(O)C(C)(C)C=O;GSKMSSAGPQMFLF-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41576;MM41576;C#CC(O)C(C)(C)C#N;NDOZNJHDJHMCNI-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41577;MM41577;C#CC(O)C(C)(O)C#N;DDRSXBDLFORQSX-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41578;MM41578;C#CC(F)C(C)(O)C#N;BHBZWWSVMAWHBE-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41579;MM41579;C#CC(O)C(C)(F)C#N;CQBYFRXOFSBSGM-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15426;MM15426;C#CC(O)C(F)(F)C#N;PGNGSBMJVVQRQJ-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41580;MM41580;C=NNCCOC(C)OC;MUFSMAMQNYEQNR-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41581;MM41581;N#CC=NNC(=N)CC=O;IATWGPBGIZBHMK-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41582;MM41582;C=CC=CNC(=N)C=NN;NPQGHLCBXHSPAZ-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41583;MM41583;C#CC(C)(C)C(O)CO;IMBRZRQJAKORAZ-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41584;MM41584;CN=C(C#N)N(C=N)OC;SNYJPJCENUCBCX-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41585;MM41585;C#CC(=NN)N(O)C=N;VVJDRTBWCBYKIY-UHFFFAOYSA-N;126.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41586;MM41586;C=NNC(=NN)NN=CC;JAFQZMWRCUZFPF-UHFFFAOYSA-N;142.17;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41587;MM41587;CC(N)=NN(C)C(=N)C=O;LERDYFHJAIPMNL-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41588;MM41588;NCC=NOCOC=NO;DRYOEYBNTNMLGS-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41589;MM41589;C#CC(C)(O)C(O)CC;ICXQQXHKYXGIFH-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41590;MM41590;C#CC(C)(O)C(O)CO;HRDGYSYQBJXOAL-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41591;MM41591;C#CC(C)(O)C(O)CF;JVHGFLHWXYJCQB-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41592;MM41592;C#CC(C)(O)C(F)CO;ZTBBXYREYHEJQG-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41593;MM41593;COC(CNCC#N)OC;HQIHPUVJFDKUKJ-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41594;MM41594;C=NNCCOCOCC;YDQAEEXJAVEBED-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41595;MM41595;C#CC(C)(O)C(C)OC;RKAHWXAQOHKVRA-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41596;MM41596;C#CC(C)(C)C(O)C=O;XXJJMSLOKVYJNL-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41597;MM41597;C#CC(C)(C)C(O)C#N;QFIZPGCKDIKYPZ-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41598;MM41598;CN=CNN=C(C)C(C)O;HBKGOERDACWBTF-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41599;MM41599;C#CC(C)(O)C(C)C#N;LPTOVABKIIOZBM-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41600;MM41600;C#CC(=NN)OC(=N)NO;ZANLBJPRRQMFBQ-UHFFFAOYSA-N;142.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41601;MM41601;C#CC(C)(O)C(O)C=C;HGRBEMYTNFDESQ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41602;MM41602;C#CC(C)(O)C(O)C#N;PNUKTFXNPZGMRP-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41603;MM41603;C#CC(C)(O)C(F)C#N;PGQNWJBIVMIXKO-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41604;MM41604;C#CC(C)(F)C(O)C=O;QLBZNTQBDOSODV-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41605;MM41605;C#CC(C)(F)C(O)C#N;SONCOPQHDDMVEA-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15450;MM15450;C#CC(F)(F)C(O)C#N;QKHZQZJIWPYCSO-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41606;MM41606;C#CCN(C)N=C;IHIBTUVSACQNGV-UHFFFAOYSA-N;96.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41607;MM41607;CCCC=NOC;BMDFNHAUSSAITP-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41608;MM41608;CCC(C)C(C=NO)NC;REBDCVWALHSVDB-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41609;MM41609;C=CN(O)C=NNC;YERNUUOQXXAYNJ-UHFFFAOYSA-N;115.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41610;MM41610;C#CC(O)C(C)(O)C#C;CVMXRAVHLJVVRS-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15331;MM15331;C#CC(F)C(C)(O)C#C;ZZYFOPMJRUYBHX-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15330;MM15330;C#CC(O)C(C)(F)C#C;RFQYCJPXIODGJD-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41611;MM41611;C=CNC(=NOCC)NO;NJPOEBXVCWANPD-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15319;MM15319;C#CC(O)C(F)(F)C#C;UDLSMTZBLWCGBP-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41612;MM41612;CC(C)(CF)NCC#N;FMEXTQUCCUSZJG-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41613;MM41613;N#CCNC(=NC=N)NO;WZJNNJKMZLNDFP-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41614;MM41614;COCCN=C(N)C=O;QBRYNJLBRNXNBM-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41615;MM41615;C#CC(C)NN=CCC;UXGJVEBOTSPMNP-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41616;MM41616;CON=C(N(C)N)N(C)O;DGTVFPPPLQWDGL-UHFFFAOYSA-N;148.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41617;MM41617;C=C(CF)C(C)(O)CO;AIPZVRXXLYLGHD-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41618;MM41618;C=C(CO)C(C)(O)CF;PTUPZBPBGAKJIK-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41619;MM41619;CCC(=O)C(C)(O)CO;ZHOSOWJRIAKIEQ-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41620;MM41620;C=C(CO)C(C)(F)CO;NNDLAUAEWFFQDS-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41621;MM41621;CN(N)C=NN=CCO;XZUXLYSGFJHCLN-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41622;MM41622;CC=CC(=O)N(C)C=N;ZQDQNBMDWQKZKC-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41623;MM41623;C#CC(F)C(=O)NC(=N)N;HWIMXXRBSNKQBZ-UHFFFAOYSA-N;143.12;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41624;MM41624;CNC(=O)C(C)(C)CO;QZCLGBQRYNRWSL-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41625;MM41625;CC(C)(CF)C(=O)NO;CATHDJZKZKWKQC-UHFFFAOYSA-N;135.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41626;MM41626;C=NN(CC)CC(=C)C=O;QNPAOPXILRSTCQ-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41627;MM41627;CN(C=O)C(=N)CCC#N;CGXCSZRSJWZEON-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41628;MM41628;CC#CC(=NN)C(=N)NO;YYNIYEIPNNSZNE-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41629;MM41629;CON=C(C)C(=N)NO;OZDIBBJIDULQOJ-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41630;MM41630;CCON=C(C)C(=N)NO;RZSRCXOLQUXRHN-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41631;MM41631;C=CCC(C#N)NCCF;UCZMSIWBOLDZLN-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41632;MM41632;COC(=O)C(C)(C)CO;KJRFTNVYOAGTHK-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41633;MM41633;C=C(OC)C(C)(O)CO;DKNXKEUOONQXEX-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41634;MM41634;C=NNCC(CC)=NOC;ONFROBFWFFPBEY-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41635;MM41635;CC=C(C)C(CN)=NO;QWXBYFXFCIQHJY-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41636;MM41636;C=C(C)C(CN)=NO;NHPTXQVIOFIMAP-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41637;MM41637;CNN(C(=O)OC)C(C)C;QAGXAJZXWFUOGK-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41638;MM41638;CC=NOCC;CXBUEUVHLAPEIB-UHFFFAOYSA-N;87.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41639;MM41639;CNN(C)C(C)=O;JHROPEJSNZGEGO-UHFFFAOYSA-N;102.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41640;MM41640;C#CCN(C)CC#N;IUVFZOHYSFQMMC-UHFFFAOYSA-N;108.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41641;MM41641;CON=CNC(C)CO;JKHJNUTZIUFGJF-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41642;MM41642;CNC(=O)C(C)(C)OC;HMDLTWUIEHZMFV-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41643;MM41643;CN(O)C=NNCCC#N;ITLJIDRIVGKMHF-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41644;MM41644;COC(C)(C)C(=O)NO;QHNFYOKVNUMFPL-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41645;MM41645;COC(=O)C(C)(C)OC;AKWHOGIYEOZALP-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41646;MM41646;C=CC(=O)C(C)(C)CO;NOGDZGJGZRRXTI-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41647;MM41647;CC(C)(CO)C(=O)C=O;UTYMQWKKMYQTHJ-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41648;MM41648;CC(C)(CO)C(=O)C#N;RKMFUUBUIGJEAD-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41649;MM41649;C=CC(=O)C(C)(C)CF;DBYFBUKVSLNPPQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41650;MM41650;C#CC(C)(C)NN=CC;FAEGDVBYTXDAKF-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41651;MM41651;COCC(=N)NN=CC=O;ZQRXGDWHCDPEDC-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41652;MM41652;C=C(C=O)C(C)(O)CO;GTLACZXXBIVFMP-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41653;MM41653;C=C(C#N)C(C)(O)CO;CWURDOGTZVUJAF-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41654;MM41654;CCC(C)(O)C(=O)C=O;IFDYJJRPIZKAGW-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41655;MM41655;CCC(C)(O)C(=O)C#N;JDVYCQSBRMEFJT-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41656;MM41656;C=CC(=O)C(C)(O)CO;ORBOZUDERLGYBE-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41657;MM41657;CC(O)(CO)C(=O)C#N;VHUNSBIFNSGSAC-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41658;MM41658;CC(O)(CF)C(=O)C#N;VPQLKTDUUAHPGY-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41659;MM41659;C=C(C=O)C(C)(F)CO;XSDKQHIZIAWMSV-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41660;MM41660;CC(F)(CO)C(=O)C#N;OHDICEYHQHUINN-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41661;MM41661;CN(C)C=NN(C)C=O;ILAOLZXRJIVIAL-UHFFFAOYSA-N;129.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41662;MM41662;C=NOCC=NN(C)C;MIABMLOFFRSWTE-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41663;MM41663;COC(C)(C)C(=O)C=O;AEWITPUQCBXQLF-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41664;MM41664;COC(C)(C)C(=O)C#N;YMFGYHXYMISDHG-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41665;MM41665;C#CC(=O)C(C)(C)CO;RCTDJSDIHGNEMT-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41666;MM41666;CCC#CC(=O)NC(=N)N;PZFBYFCKQOEVRT-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41667;MM41667;C#CC(=C)C(C)(O)CO;BOGYRLWCTGJVNH-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41668;MM41668;C#CC(=O)C(C)(O)CO;CVVLCXYVAMVRAI-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41669;MM41669;C#CC(=O)C(C)(F)CO;FLHBDBBROWXFMY-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41670;MM41670;C#CC(=C)C(F)(F)CO;DXOAIYGDDGWDSR-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41671;MM41671;CN=CNN=CC(F)C#N;FNQQTZZDCVLBSR-UHFFFAOYSA-N;142.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41672;MM41672;C#CC(=O)C(C)(C)OC;GNRHWZVXHWHQLA-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41673;MM41673;C=C(CO)C(C)(C)C=O;KBXMGTUICAREEK-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41674;MM41674;C=CC(C)(C)C(=O)CO;DEZWNOFXIHTLFD-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41675;MM41675;CC(C)(C=O)C(=O)CO;GSQCYSIEWGMUPC-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41676;MM41676;CC(C)(C#N)C(=O)CO;MTIJXTXDXCRNNX-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41677;MM41677;CC(F)=CCN=C(N)C=O;GKYXJUYCOPVSFZ-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41678;MM41678;C=CC(C)(O)C(=C)CO;SESLXPMAYSZWSP-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41679;MM41679;C=C(CC)C(C)(O)C=O;AMLAPSFVMDCEDO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41680;MM41680;C=C(CF)C(C)(O)C=O;NJFFOBBNPPDOGW-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41681;MM41681;CCC(=O)C(C)(O)C=O;NQBBINLTVOXLRD-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41682;MM41682;CC(O)(C=O)C(=O)CO;GXKSWJOBVXKANI-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41683;MM41683;CC(O)(C#N)C(=O)CO;OXIAOYKSWOQRDH-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41684;MM41684;CC(O)(C#N)C(=O)CF;VCIIBCVEHYZWQE-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41685;MM41685;C=C(CO)C(C)(F)C=O;ZJEPKXWULFIYIQ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41686;MM41686;C=NN(C)CC(C)=CC=O;WCQKGSGNHWFQIX-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41687;MM41687;CC(C#N)NCCCC=O;KDEFRJRGABWALG-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41688;MM41688;CNN=CN=CNCC#N;LISDWOODWQBSDV-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41689;MM41689;NN=C(C#CCF)NN;JGPZPDCAQFNMQM-UHFFFAOYSA-N;130.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41690;MM41690;CNC(=O)C(C)(C)C#N;ACGXHECWYWXCIN-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41691;MM41691;CC(F)C#CCNCC#N;REKFGPRBLRCZQM-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41692;MM41692;CNN=CC(=O)C(=N)NC;CAUQKTLGSBCHRG-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41693;MM41693;C=CN(C=N)C=NCC#N;XUEQBXSIEAIKNB-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41694;MM41694;CCON(C)C=NN;HNQLGNYNYVTWIJ-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41695;MM41695;N=CNC(=NO)NC=N;FOUSSAPHCOWZRW-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41696;MM41696;C=CC(C)(O)C(=O)NC;KNUNZKXKRZXJJG-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41697;MM41697;CNC(=O)C(C)(O)C#N;HPZABUZZYOPLMS-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41698;MM41698;CC(O)(C#N)C(=O)NO;KZCLYMAMJGOYKJ-UHFFFAOYSA-N;130.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41699;MM41699;C=NNC(C)C=NOCC;SIWLPYBEOLKUAQ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41700;MM41700;NCC#CC(F)(F)CO;QDWMBTDJNYRQNW-UHFFFAOYSA-N;135.11;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41701;MM41701;C=NN=CC(=NN)N(C)C;NVWCPTVBOVYLMJ-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41702;MM41702;C=CC(C)(F)C(=O)NO;ACHYCAFBINNUSC-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41703;MM41703;CNC(=O)C(C)(F)C#N;FIDOCUSLRXUDLP-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41704;MM41704;CC(F)(C#N)C(=O)NO;LKRVGEGPZGZKMP-UHFFFAOYSA-N;132.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41705;MM41705;C=NNC(C)C(C)C(C)F;LDOIZWPPDTWOAN-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41706;MM41706;C=C(OC)C(C)(O)C=O;ZLLASVXTJFIWLI-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41707;MM41707;C=C(OC)C(C)(O)C#N;NIBHVSRCNWIFIJ-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41708;MM41708;C=CC(C)(O)C(=O)OC;GRFXGVMQYVLZJJ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41709;MM41709;COC(=O)C(C)(O)C#N;ZIJHWQTXBPDYCT-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41710;MM41710;COC(=O)C(C)(F)C#N;BUQJTLIVRFQCDC-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41711;MM41711;CC(C)(C#N)C(=O)C=O;HGJYSHIKLIYXLS-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41712;MM41712;CC(C)(C=O)C(=O)C#N;BTDLSVSXICBXMT-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41713;MM41713;C=CC(=C)C(C)(O)C=O;DDWKJRVNHMLLNK-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41714;MM41714;C=C(C=O)C(C)(O)C#N;OZJKYQDABFJUML-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41715;MM41715;C=C(C#N)C(C)(O)C=O;PYWDAQQVQFLSQD-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41716;MM41716;C=C(C#N)C(C)(O)C#N;ZSCVHQKEIUUBBC-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41717;MM41717;C=CC(C)(O)C(=O)C#N;KNLRRBOZOSNCJX-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41718;MM41718;C=CC(=O)C(C)(O)C#N;QQWPAXSUTIHREB-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41719;MM41719;CC(O)(C=O)C(=O)C=O;JLBIZIATOUXAHS-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41720;MM41720;CC(O)(C=O)C(=O)C#N;VHFIKZUENSNYHI-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41721;MM41721;CC(O)(C#N)C(=O)C#N;WJIFCPCEDVJAPQ-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41722;MM41722;C=CC(C)(F)C(=O)C=O;OAMUPBQAWCCHTO-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41723;MM41723;C=CC(=O)C(C)(F)C=O;COXSAOIKXGYEOB-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41724;MM41724;CC(F)(C=O)C(=O)C#N;WKHPOJNARKKCGA-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41725;MM41725;CC(F)(C#N)C(=O)C#N;KYFNNOQJKXMODD-UHFFFAOYSA-N;126.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41726;MM41726;N#CC(=O)C(F)(F)C#N;PKJIRNYQDAABQV-UHFFFAOYSA-N;130.05;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41727;MM41727;C#CC(=C)C(C)(O)C=O;NRNFQQRJYYDPKX-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41728;MM41728;C#CC(=C)C(C)(O)C#N;QWUUUUQHAGRBRQ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41729;MM41729;C#CC(=O)C(C)(O)C=C;OAYASZXFOSBDSI-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41730;MM41730;C#CC(=O)C(C)(O)C=O;MVBCBYCXOJYNCH-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41731;MM41731;C#CC(=O)C(C)(O)C#N;UOMLHCAIDLUOCO-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41732;MM41732;C#CC(=O)C(C)(F)C=O;QHFFBIKBBRLNEX-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41733;MM41733;C#CC(=O)C(C)(F)C#N;HIBSDCYUEWFYER-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41734;MM41734;C#CC(=O)C(F)(F)C#N;HSLSZRVACPFLJD-UHFFFAOYSA-N;129.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41735;MM41735;C#CC(C)(C)C(=O)CO;JODWTFAZCZMNLC-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41736;MM41736;C#CC(C)(F)C(=O)CO;XXFBCPXZADUKPA-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41737;MM41737;CNC(C)(CF)C(=O)C#N;OMORQUJHSQMSBE-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41738;MM41738;C=NN(C)CC(C=O)=CC;ZKQTZHFOBUFWCW-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41739;MM41739;N#CC(NC=N)=C(F)F;QSEZYBWGVAGWPF-UHFFFAOYSA-N;131.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41740;MM41740;C#CC(C)(C)C(=O)NO;JSXWMUDHTRLQAD-UHFFFAOYSA-N;127.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41741;MM41741;C=NNCC(F)CCCC;WWJXOFJZPVZDKW-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41742;MM41742;CN(N)C=NN=CC=NN;TWDIBXSRSADYMH-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41743;MM41743;C=C(C#CCN)C#CCO;JTGMWIHCVMNVLQ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41744;MM41744;C=CCC(F)(CO)CNC;RYPDYJAFKXYZFV-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41745;MM41745;CN(N)C=NN=CCF;IMQTYXRYSSJYHA-UHFFFAOYSA-N;132.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41746;MM41746;C#CC(=NO)N(C)N;LDPRAUXFKCHBMB-UHFFFAOYSA-N;113.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41747;MM41747;CC(C#N)(CO)NC=N;IIZXMOIXSAUXDO-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41748;MM41748;C#CC(C)(O)C(=O)NC;GVUXJWSYPRDQCY-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41749;MM41749;C#CC(C)(O)C(=O)NN;QSCROPCFIDKOPC-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41750;MM41750;C#CC(C)(O)C(=O)NO;BTMXOBGBFXCWQK-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41751;MM41751;C=NN=CN(N)C=NN=C;GAFXNWZJVJMVHH-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41752;MM41752;CN(C=N)C(=NC=N)NO;YJTSQFAJHRIXQW-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41753;MM41753;CN(N)C(=NO)NO;XHKYIRFWJPJMCY-UHFFFAOYSA-N;120.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41754;MM41754;C#CC(C)(F)C(=O)NC;NBUYPYZGCOHBCB-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41755;MM41755;C#CC(C)(F)C(=O)NN;YBEDSNKEVSQCFV-UHFFFAOYSA-N;130.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41756;MM41756;C#CC(C)(F)C(=O)NO;DKXDHDXXRXZBPF-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41757;MM41757;C=NN=CN(CC#N)NC;BEWJOTHWYXLGIG-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41758;MM41758;C#CC(=O)N(NC)C(C)C;LEVUQYROKOMYSR-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41759;MM41759;C#CC(C)(O)C(=C)OC;RAWZUMALRBRHEW-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41760;MM41760;C#CC(C)(O)C(=O)OC;KGWOVEWJLPFMKP-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41761;MM41761;C#CC(C)(O)C(=C)C=O;KCVXGMAVZJPHGK-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41762;MM41762;C#CC(C)(O)C(=O)C=C;YTCMSASAYXGTGN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41763;MM41763;C#CC(C)(O)C(=O)C#N;PQXIZNCRFRBGBF-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41764;MM41764;C#CC(C)(F)C(=O)C=O;OIJHGICOMFWGKD-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41765;MM41765;C#CC(F)(F)C(=O)C#N;BKIAFKPXOFXHNU-UHFFFAOYSA-N;129.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41766;MM41766;CCN(C=O)NC;OJALCBPDOVBXBS-UHFFFAOYSA-N;102.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15359;MM15359;C#CC(=C)C(C)(O)C#C;RXLJVLWRLPPDON-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41767;MM41767;C#CC(=O)C(C)(O)C#C;QQPIBUZJQUSRSC-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41768;MM41768;C#CC(=O)C(F)(F)C#C;ALUSLNNOXMMTEN-UHFFFAOYSA-N;128.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41769;MM41769;C=C(C=NN)COC;LUAYDKKVIMZXLI-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41770;MM41770;CC(C#N)N=CN=CNO;GYUVKXARQVLZIV-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41771;MM41771;C=CCN(O)C(C)=NNC;SULDTEGZNHZSRN-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41772;MM41772;CC(=NO)C(C)(C)CO;KLKAHQUKJMAQFU-UHFFFAOYSA-N;131.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41773;MM41773;CC(=NO)C(C)(F)CO;MZROPJCRHJGHMZ-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-(3-methoxy-3-methylbutan-2-ylidene)hydroxylamine;MM01915;COC(C)(C)C(C)=NO;RKTUCGMLBXBRGJ-UHFFFAOYSA-N;131.18;1.26;130488182;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41774;MM41774;CC(=NO)C(C)(C)C=O;VEGKFFOADGEOCK-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41775;MM41775;C=CC(C)(O)C(C)=NO;WRBIPQZDEWUFAW-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41776;MM41776;CC(=NO)C(C)(O)C=O;XBBRYRSMXYDEIZ-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41777;MM41777;CC(=NO)C(C)(O)C#N;LOOAADDYLPSTGG-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41778;MM41778;CC(=NO)C(C)(F)C#N;GRSCGBSIIMYGTL-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41779;MM41779;N#CCN(C(=N)N)C(N)=O;HRDHTUJDCWSBOW-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41780;MM41780;C#CC(C)(O)C(C)=NO;GDUREZSYZTYGBH-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41781;MM41781;C=NN(C)CC#CC;XXPIEUBQVHOWIP-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41782;MM41782;COCCC(C)=NN;ZLDFYCATPRXEKC-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41783;MM41783;CC(C)(C#N)NCCF;ICHNZHAUZROUET-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41784;MM41784;C#CCCNN=C(C)C;UYAYAVBEJHJAEV-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41785;MM41785;C=C(C)NC(=NOC)NO;FEFPAOWAMSKFEL-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41786;MM41786;CC(O)(CF)CCCO;XGGRFMXWGIHAMI-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41787;MM41787;CCCC(=O)N(C)NC;MFTCDEVWCQBMNA-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41788;MM41788;CC(C)NN=CN(C)O;RNOGKILQKUMKBK-UHFFFAOYSA-N;131.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41789;MM41789;CC(F)(CO)CCCO;GOUCOJVDHMXLST-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41790;MM41790;C=NNC(C)CCCCF;RIFZAKMEORNKFW-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41791;MM41791;CC#CC(=O)N(C)C(C)=N;DITSTGAFDJLCHP-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41792;MM41792;CC=C(C#N)N=CNO;DPMDSIFEUGHUOM-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41793;MM41793;CNN=C(C)C(F)=C(N)N;FJFCFGJGOFBIFE-UHFFFAOYSA-N;146.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41794;MM41794;C#CCN(C=NC)OC=O;HTFRKPDMJBWQIN-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41795;MM41795;C=CN=C(CCO)NN=C;AOLZHKGXTCDYMK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41796;MM41796;C=NN=C(COC)N(C)C;PYHKFXYGEWNKSZ-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41797;MM41797;C=NOCC(C)(C#N)NC;XJSSJLXXQKITQY-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41798;MM41798;COC=CCN=C(N)C=O;MSCUFZVFNZGUTC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41799;MM41799;C#CC(=N)N(N=C)C(C)=N;UFTOAYPTKZPSKC-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41800;MM41800;COCCC(C)(O)CO;CNLJXZOTDQZHJZ-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41801;MM41801;COCCC(C)(O)CF;LCQBYPPIWIRXHY-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41802;MM41802;CN=C(C#N)N(C=N)C=N;BCOGHMUJIXSSBJ-UHFFFAOYSA-N;137.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41803;MM41803;C=CC#CCN(C=N)N=C;FJUWFGDMPXDHIT-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41804;MM41804;CC(C)NN(C)C=O;LZLYHGCWZTYXBP-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41805;MM41805;COC(=NN)N(C)N;KGJBIAWOTKVKAE-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41806;MM41806;CC(C)CON(C)C=NN;GZRJXSSEDOHAJX-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41807;MM41807;C=CC(=O)N(C)C=N;DIZSRPDLAXMRSV-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41808;MM41808;CCC(=O)ON=C(C)N;IRIMAMPMDUKFLU-UHFFFAOYSA-N;130.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41809;MM41809;CCCN(C=O)NC;GAHYTGLBVUUNHE-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41810;MM41810;CCOCC(C)(O)CO;YPTWRROAUSPUMQ-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41811;MM41811;CCOCC(C)(O)CF;DQCQQGOMKKYNRP-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41812;MM41812;CNN(C)C(=O)C(C)C;UXLUIQWONOLMRE-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41813;MM41813;CC(C#N)=C(N)N(C)C;KGVAZOVBMFMXJG-UHFFFAOYSA-N;125.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41814;MM41814;CC(C=O)C=CN(O)C=N;YUCKSOIOJRFHTR-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41815;MM41815;CC(C)(CO)OCCO;XILOVYYKZZFBPH-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41816;MM41816;C=CC#CCNCC#N;PDYGLTQUJUCTTF-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41817;MM41817;COC(C)(C)OCCO;OJNBJTXDVTWOJP-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41818;MM41818;COCOC(C)(C)OC;OMEJCVLHJAJGCP-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41819;MM41819;C#CC(=NC(C)=NO)NC;YOLVDYAYOOXNFP-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41820;MM41820;CC(O)(CO)CCC#N;LBWWKESUFIPOGM-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41821;MM41821;CC(F)(CO)CCC#N;ZZBSJCHKGXXRAK-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41822;MM41822;C=CC(C#N)=C(N)N(C)C;QXXXCPMNSGHOQI-UHFFFAOYSA-N;137.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41823;MM41823;C=NNCCC(C)C(C)F;IBFJKGSRIUPOLW-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41824;MM41824;C=CCC(C#N)(CF)NC;VQZJYFHHTZPSCC-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41825;MM41825;C=NN(C)CCC(=C)C=O;LLEFOKPBDKCQRU-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41826;MM41826;CC(F)(CF)CNC=O;UOBNBNFHUJUSKK-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41827;MM41827;C=NNCCCC(F)CC;QLNIWHLNQTXMBR-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41828;MM41828;CCC(=O)N(CCF)NC;NVJXTAGILMYQIH-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41829;MM41829;C=NNCC(CF)CCC;RJHFTQSYPMCHOR-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41830;MM41830;C=CCCCN(C=O)NC;HDBIGSQHPNNGEL-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41831;MM41831;CN(C=NO)C(=N)CC#N;JZQZLOCGHJBRNI-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41832;MM41832;C#CCN(N)C(C#C)=NO;VSCUOYOCOCGYDM-UHFFFAOYSA-N;137.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41833;MM41833;CC#CC(=NO)N(C)N;AEZSGCJUKOCESF-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41834;MM41834;CNN(C=O)CCCC#N;ZQCLDMRPZCXEDS-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41835;MM41835;CCC#CC(=NO)N(C)N;AXHUWMRZNGOBRG-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41836;MM41836;C=NNCCCCCCF;QQRHGPXVWKUIJO-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41837;MM41837;C=COCC(C)(O)CO;XQTMBTIRPSRKFL-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41838;MM41838;CC(O)(CF)COC=O;UWBQAVBNTMSKFJ-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41839;MM41839;C=COCC(C)(F)CO;VFYJBBOQLZSYJM-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41840;MM41840;CCCNN(C)C=O;HTTJWEIKDDVNEG-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41841;MM41841;CC=CNC(=O)NC(C)=N;OKLYMMASRJCLRH-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41842;MM41842;C#CCN(C=N)N=C;MRXYYWKPMVFULJ-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41843;MM41843;CN(C)C(C=NO)=NN;QYZGLIVGOWTDOP-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41844;MM41844;CC(C#N)N=CNO;YXJMICYXNZWXOD-UHFFFAOYSA-N;113.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41845;MM41845;C=CC=NOCC=NN;UNWVQBXNIWCDBI-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41846;MM41846;CN=CN(C=NC)OC=O;YARVUPCOBUZOPF-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41847;MM41847;CC(=N)N(O)CC(C)F;NFFJENDRKWYRFN-UHFFFAOYSA-N;134.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41848;MM41848;CC(=NN)C(F)=C(N)N;WXSBLOUTTPHTIQ-UHFFFAOYSA-N;132.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41849;MM41849;CC(C)(CO)OCC#N;OGCNOEXIYJUTLM-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41850;MM41850;COC(C)(C)OCC=O;LZOPKJAUGVLWIK-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41851;MM41851;COC(C)(C)OCC#N;CMAHDLYUUFYCOQ-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41852;MM41852;CC(C)(CO)ONC=O;ZWIWNKNMBTVHRP-UHFFFAOYSA-N;133.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41853;MM41853;CC(F)C(C)NCC#N;SOHVALHMYMRUPA-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41854;MM41854;C#CC(=NNC)N(O)C=N;RNZRDNQMOPQXHY-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41855;MM41855;COC(=CF)N(O)C=N;MKNSHDQDLZBYRC-UHFFFAOYSA-N;134.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41856;MM41856;C#CCCC(C)(O)CO;NPRVTVMWJLAOEP-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41857;MM41857;C=CCNC(CO)CO;ITLLBAXUFPVYJC-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41858;MM41858;C#CCOC(C)(C)CO;OETJKHFHEIXIOE-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41859;MM41859;C#CCOC(C)(C)OC;ZLWLIRSKIAHRKA-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41860;MM41860;C=CN(C=C)C(=N)C#N;XYTAQWDDQNJBCO-UHFFFAOYSA-N;121.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41861;MM41861;COCC(=N)NO;UNKQCVYVFHGUTQ-UHFFFAOYSA-N;104.11;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41862;MM41862;C=NOCC(C)=NN(C)C;BWCCBJCDEHDZNP-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41863;MM41863;C=CCOC(C)C(=N)NO;DTHVPYVWWBGMDL-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41864;MM41864;C=CC(C)(O)CCCO;LSVJXLYDIZYTLY-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15356;MM15356;C=CC(C)(O)CCCF;BFFUHIYPTYUUDI-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41865;MM41865;CC(O)(C=O)CCCF;FENQHUKATWACMH-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41866;MM41866;CC(O)(C#N)CCCF;KUGKZDNUIPHENX-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41867;MM41867;CC(F)(C=O)CCCO;SWVGBAWDLRQZBP-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41868;MM41868;C=NOC(C)CNCC#N;BTPFBWPCZWMNIM-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41869;MM41869;CC(OCC=O)C(=N)NO;CBVNYDMAFZRQOG-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41870;MM41870;C#CCCC(=N)N(C)C=O;YBNHCMNHBWCSHO-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41871;MM41871;C#CC=CC(=O)N(C)NC;UQHGGDTTWCHGTN-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41872;MM41872;N#CC(=N)N(C=N)C=CF;NRRYUJCBGCRWKG-UHFFFAOYSA-N;140.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41873;MM41873;COCCC(C)(O)C#N;CZZGNTAZBUXIQB-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41874;MM41874;C#CCN=C(NC)ON=C;YRAGZLKKYYAODF-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41875;MM41875;C=NNC(=NN)NN=C;GDRGMBVUJDLAMY-UHFFFAOYSA-N;128.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41876;MM41876;C=C(C)N(NC)C(=O)CC;MJFWLUXKFLPVSU-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41877;MM41877;CNC(=NOCC#N)OC;BWGAIBWOQIRRTN-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41878;MM41878;CCOCC(C)(O)C#N;YBABLPXUUMEOPY-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41879;MM41879;CCOCC(C)(F)C=O;FGSUNEQNANYMLV-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41880;MM41880;CCCC(=O)CC(=N)NO;PQLCTYNLWKAKQR-UHFFFAOYSA-N;144.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41881;MM41881;CON=C(CO)NC(C)C;XSLMOKYHNMDKKD-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41882;MM41882;C=C(C=O)N(O)C=NC;MXMLSIVTOZDFAY-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41883;MM41883;CC=NOCCC;RRONHAHGFXBWDC-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41884;MM41884;CC(C)(C#N)OCCO;IQIROQMLRMJDQK-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41885;MM41885;COCOC(C)(C)C#N;NGVFMSZHPAZMOU-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41886;MM41886;C=CC(C)(O)CCC=O;RRPYYNJRQUGMDD-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41887;MM41887;C=CCCC(C)(O)C=O;QOJPZIRUMVRCSO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41888;MM41888;CC(O)(C#N)CCC#N;IONVPRQAPZCPGB-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41889;MM41889;C=CC(C)(F)CCC=O;OUVBONGIVPUVIP-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41890;MM41890;CC(F)(C=O)CCC=O;PSXUYMNJAJTGTO-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41891;MM41891;CC(F)(C#N)CCC#N;PUIYVMJOPOPXDF-UHFFFAOYSA-N;126.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41892;MM41892;C#CC(=O)N(C)C(C)=N;QQZRNKNXFNFHLJ-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41893;MM41893;CCC(CF)NCC#N;IGFCAGAEQHGQFT-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41894;MM41894;C=NNC(=NN)N(C)N=C;UWLBMSBZXMTSTG-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41895;MM41895;CC(C)(C#N)CNC=O;WVGDCEUQYQCFSB-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41896;MM41896;CC(C)(CO)ON=CNN;PXWSBMRCRZQCGO-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41897;MM41897;CN=C(C=CN(C)C)NO;KWLOOBCGDHYDOE-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41898;MM41898;CC(O)(C=O)CNC=O;KBPZQPPRAMNJCU-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41899;MM41899;CC(O)(C#N)CNC=O;ISGUKOHSOUTTGQ-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41900;MM41900;CCC(=O)N=CN(O)C=N;JZHWKQMMURHBMM-UHFFFAOYSA-N;143.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41901;MM41901;C#CCOC(=NC)N(C)O;JCHLJVXWTMWJDI-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41902;MM41902;CC(F)(C#N)CNC=O;INAOJZMWYNZXHD-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41903;MM41903;CNN(C=O)CC=C(C)C;WRVNJMSRWSAPAL-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41904;MM41904;C=CC(F)(F)CNC=O;XHXPUFYPZLSBFW-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41905;MM41905;CNN(C=O)CC=C(C)F;HFNFGOHIQIJWAW-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41906;MM41906;CC(=NC=NN)N(C)O;HJGIRTQVYTWBTP-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41907;MM41907;O=CNCC(F)(F)C=O;KSIUWJBSQDHQFF-UHFFFAOYSA-N;137.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41908;MM41908;N#CC(F)(F)CNC=O;QLQCKMYZZPXAEQ-UHFFFAOYSA-N;134.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41909;MM41909;C=NNCC(C)N(C)C=O;BCRNKOFSFLAQDR-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41910;MM41910;CC(C)(F)C(=N)NO;RGDWENJAJJWTKH-UHFFFAOYSA-N;120.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41911;MM41911;CC(C)(C=O)COC=O;GRHFIUHWZZQMGE-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41912;MM41912;N#CCN(C=N)C(=N)C=O;BSFVFIXVXWVTST-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41913;MM41913;C=CC(C)(O)COC=O;IHJXYSDXLOTJMU-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41914;MM41914;C=COCC(C)(O)C=O;MDQFGCMIZWKIMP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41915;MM41915;C=COCC(C)(O)C#N;JSNOWUPGARVMJU-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41916;MM41916;CC(F)(C#N)COC=O;KUDHIPKJWHVWBK-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41917;MM41917;CNC(=NOC)OCC#N;GOVACXGMZDJANX-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41918;MM41918;CNC(C#N)C(=N)NO;QOJMPZDOGZRHDX-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41919;MM41919;C=CC(CON=C)=NNC;IHKHAIFCERFYKX-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41920;MM41920;C=NNCCN(C=O)CC;NRUFTQXDQZLNIV-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41921;MM41921;CNN(C=O)CC=CCF;XDJDKQQIXNJHMC-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41922;MM41922;CNN(C=O)CC=CC#N;JHLNTWFGEMKVMG-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41923;MM41923;C=NNC(=NNC)NC=N;PKWQNZNPBMXXFQ-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41924;MM41924;CCON=CC(=N)NO;UWWJEPUUZZAZJF-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41925;MM41925;C#CC(=CC)CNCCO;LTFKRODRYLUHLY-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41926;MM41926;CC(C)(C#N)NNC=O;CFZPTWQMQVNOAR-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41927;MM41927;CC(C)(C=O)OCC#N;XGVFGQHHHGOGET-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41928;MM41928;CC(C)(C#N)OCC#N;MSKBJLRUEPMHDL-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41929;MM41929;CC(C)(C#N)ONC=O;GMWHKVNSDOKIGM-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41930;MM41930;C#CC=CCN(C=O)NC;KEMFBKKSZHXHPQ-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41931;MM41931;C#CCN(CC)N=C;WRWNYIPHXJXCTL-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41932;MM41932;C#CC(C)(O)CCCO;SSPOXSNYHJFUIL-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41933;MM41933;C#CC(C)(O)CCCF;NXTATMCSLPWWPQ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41934;MM41934;C=CCCN(C=O)NC;NRASHJXAXLURAV-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41935;MM41935;COCC(C)NN=C(C)C;BBTSJBUBBGBMTB-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41936;MM41936;C=NNCCON=C(C)C;GHLRTGDEJCBDAV-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41937;MM41937;C#CC(C)(O)CCOC;BONOKRTYMUUCDM-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41938;MM41938;C=CCNN=CN(C)O;NVAOSMWFVKNCMH-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41939;MM41939;C=NNCCC(C)=NOC;AXHHTRNCJOHLND-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41940;MM41940;C#CC(C)(O)COCC;OWOMLNUGEKJGGF-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41941;MM41941;C=NNCCC(=O)N(C)C;UHPUVMOHGLSTPI-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41942;MM41942;C#CC(=C)CNC(=N)C#N;QOHGMOVKRZGLIV-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41943;MM41943;C#CC(C)(C)OCCO;ITDLQTDXCICMSK-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41944;MM41944;C#CC(C)(O)CCC#N;NRJXHBJZFUIATG-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41945;MM41945;C=NN=CN(C)CCC#N;WYMVSWRXPPUWDU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41946;MM41946;C#CC(C)(F)CNC=O;CFWPYYBXYLUVSJ-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41947;MM41947;C=CCCCNN(C)C=O;VSXJBGULYHXWDL-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41948;MM41948;C#CC(F)(F)CNC=O;SQYKNOAJIBPOHP-UHFFFAOYSA-N;133.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41949;MM41949;CCON(C=N)C(=N)C#N;BYTFOAJPULCIRB-UHFFFAOYSA-N;140.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41950;MM41950;CC#CCN(NC)C(C)=O;LQPKQZQOYSMRNC-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41951;MM41951;C#CC(C)(O)COC=C;DUVQWZKIRIXZPX-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41952;MM41952;C=NNC(CC)=NCCO;AFCOXCGIIGTHGC-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41953;MM41953;C#CC(C)(C)OCC#N;XWVSIVYRZDCOAM-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41954;MM41954;CNN(C=O)CCC=CF;HPIRDWZROAJCPI-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41955;MM41955;CN(C)C(C=O)CF;PLESHDKHLGOSOE-UHFFFAOYSA-N;119.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41956;MM41956;CNN=COC(=NN)NC;JTDGKBQDINJIPM-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41957;MM41957;CNC(=NN)OC=NN;JQQPKZHMJLQFAK-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41958;MM41958;CNC(=NN=CNN)NC;OQADJTKKJDPPMO-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41959;MM41959;CCCOC(=NN)N(C)N;ACWPDMKSICMACR-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41960;MM41960;CCNN=CC(C#N)=CN;COWIHRWYMBXOEJ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41961;MM41961;CC(C)(CO)OC=NO;RQVGRACDHVONCU-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41962;MM41962;COC(C)(C)OC=NO;IKWXVZLVBFYZCV-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41963;MM41963;CC(N)=NOC(=O)C(C)C;SRQWRGHVHWTLDW-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41964;MM41964;CCCN(C=O)C(C)=N;XPBQQGPSJRNZSB-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41965;MM41965;C=CC(=O)N(NC)C(=C)C;MOBOIVDYWNMWPT-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41966;MM41966;CC=CCC(C)(O)C#N;KMCIDVIGPWLLPF-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41967;MM41967;C=NNC(C)=NCCOC;QQAKAWVCDSQHSS-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41968;MM41968;CC(O)(C#N)CC=NO;MOJCOFXPIHCATN-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41969;MM41969;CCCCN(C=O)C(C)=N;QQRNPDCOWUWIIQ-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41970;MM41970;C#CC(=C)C(=N)NN=C;AFWGGCXMGZWYFD-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41971;MM41971;CC(C)(C=O)OC=NO;KJDXVGGCRJUSDF-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41972;MM41972;CC(C)(C#N)OC=NO;COLUQNXUDUDGLV-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41973;MM41973;CNC(C)C(C)=O;RJTZBWCQBVOWGL-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41974;MM41974;C#CC(C)(O)CC=NO;YRJLGHXJWRLUNJ-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41975;MM41975;C=CC(=N)N(C)C=O;JVXDMDQDPVEPKY-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41976;MM41976;CCC(=O)C(C)NC;AHKRBLAMOLUVKL-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41977;MM41977;CON(C=N)C(=N)C#N;AUFHHFFLRLDZNF-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41978;MM41978;C=C(C#N)C(=O)C(=N)N;WVOMENJELQOMRM-UHFFFAOYSA-N;123.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41979;MM41979;C#CC(C)(C)OC=NO;FFDHASPYLMFSDC-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41980;MM41980;CC=NOC(=NC)NNC;OTTMIEAQDOSTDW-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41981;MM41981;CC#CCC(C)(O)CO;NJJDIFOGJGKGHR-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41982;MM41982;C#CC(=NO)C(=NC)NN;CKQSXXGJTBEHBO-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41983;MM41983;CC(C)C(=N)NC(=O)NN;LZQLZVRSLUUAAJ-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41984;MM41984;CNNC(=N)N(N)C=O;JHJXEZFPFZWONO-UHFFFAOYSA-N;131.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41985;MM41985;CC(O)(C=CCO)CF;QEILMKQQCAGNRI-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41986;MM41986;COC=CC(C)(O)CO;RTAXVLGGJSITGY-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41987;MM41987;COC=CC(C)(F)CO;DCSLQSHJZQWRJZ-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41988;MM41988;CN=CN(C)C(=O)N(C)C;TVXICPXWMZRQDI-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41989;MM41989;C=CC(C)CN(C=O)NC;KSRSPYYBBHNQCW-UHFFFAOYSA-N;142.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41990;MM41990;CCC(C)=NN(C=N)C=N;NPXYXTDKILRKPS-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41991;MM41991;C=CC#CC(=O)C(N)=NC;ZLAITYZYJSDKAZ-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41992;MM41992;CC(=NO)NN;KMIXWLSAMVQJMS-UHFFFAOYSA-N;89.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41993;MM41993;C=CNC(=NO)NOC;QOOCWHVHQNYJSF-UHFFFAOYSA-N;131.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41994;MM41994;CCCNCC=O;XLFRSZQTJOSMBQ-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41995;MM41995;C=C(C)C(=NO)NN;NLNIIRRQPDLPJA-UHFFFAOYSA-N;115.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41996;MM41996;C=CC(COC)NCC#N;XANUICJXFWXYGO-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41997;MM41997;C#CC(C)(C)NN=C;HATPFRROWRULRP-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41998;MM41998;CC=CC(=NO)NN;BWEBRKCAFOSCOM-UHFFFAOYSA-N;115.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM41999;MM41999;CN=C(NN)N(C)C=O;CVVOVVRWTKUNOE-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42000;MM42000;CC(O)(C=CC#N)CO;LTEOGXZTCKTFDG-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42001;MM42001;CC(F)(C=CC=O)CO;JREVHYWHUZOAIH-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42002;MM42002;O=CC=CC(F)(F)CO;XJIRTPPKDIESET-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42003;MM42003;C#CCNCCC(=O)CC;LRTWRVSTYWLKNQ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42004;MM42004;C=NN=CC(C)(O)CO;PCYGLEKSKQXXIU-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42005;MM42005;C#CCC(=C)NC(=N)C#N;FZFNANXDCMELCL-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42006;MM42006;C#CC(F)(C=O)C(N)=NC;GONNSNXMGXGUNZ-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42007;MM42007;CN=C(NCC#N)NNC;PFYYEGXJCYXCHI-UHFFFAOYSA-N;141.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42008;MM42008;CC(C)(C=O)C=CCO;DFKIXRLAUWRFTQ-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42009;MM42009;CN=C(N)C(=O)C#CCF;NVMPKLVHSLPQCI-UHFFFAOYSA-N;142.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42010;MM42010;N#CCNC(=NC=O)NO;JTKYVCNMHAKYSD-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42011;MM42011;CC(F)(C=O)C=CCO;ZVFGJYJUESZNRT-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42012;MM42012;CC(F)(C#N)C=CCO;PYKOUOKWHCRTLJ-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42013;MM42013;COC=CC(C)(O)C=O;FJXIUCBMKHEMJE-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42014;MM42014;COC=CC(C)(O)C#N;MZQSODABKVTHTH-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42015;MM42015;CC(C#N)=NNC(=N)CO;ZYZFFMRRXQQTAC-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42016;MM42016;CCNN(C=O)C(C)CF;YJZGKLYHLHDGFK-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42017;MM42017;C=NOC(=N)NC(=N)CO;FQBAPMHURHNHQK-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42018;MM42018;CNN=CC(C)(O)C#N;HKKRCQCMCVORFK-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42019;MM42019;CC(C=O)(CO)N=CNO;UNSWGTYOXBMCPJ-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42020;MM42020;CC#CC(CO)N=CNO;FISOSBZHZNTDQH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42021;MM42021;C=CN(O)C=NNCCC;TZDOELCCHUVMGT-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42022;MM42022;C=CNC(=NOC)NO;QOOCWHVHQNYJSF-UHFFFAOYSA-N;131.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42023;MM42023;C=CCNC(C#N)COC;VVVYPEWHKZXSNF-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42024;MM42024;CON=CC(C)(O)C=O;CCMWIXHLHSHAOM-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42025;MM42025;CON=CC(C)(O)C#N;SMWZJUVYLCFNII-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42026;MM42026;C#CC(=NOC)NCCF;OQBZGOFQPMFTTA-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42027;MM42027;C=CN(NC)C(C#N)=NC;MLSGXGAUPMABBX-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42028;MM42028;CC(O)(C=O)C=CC=O;RRJGJQNKVKEJMS-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42029;MM42029;CC(O)(C=O)C=CC#N;UTVGMNIEAWIKNK-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42030;MM42030;CC(O)(C#N)C=CC#N;CSBKKYFHUFGOKO-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42031;MM42031;C=NN=CC(C)(O)C=O;YLCWHFIBBFRMGH-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42032;MM42032;C=NN=CC(C)(O)C#N;FCGHKCPDZYBUKP-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42033;MM42033;C=NOCCC=NN;BPCGSEZMDFRHRR-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42034;MM42034;CCC(=NC=NN)N(C)O;VHQMWILKJDPMIJ-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42035;MM42035;CN(O)C=NNC(C)(C)C;JEHQYWIBRJGLED-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42036;MM42036;C#CC(C)(O)C=CCO;ACLMMWXDYWQEBY-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42037;MM42037;C#CCCNN=CC;LMOGVEZIUWATFC-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42038;MM42038;C#CC(C)(O)C=COC;VXOFWSYYHZLMEZ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42039;MM42039;C#CCN(N=C)C(C)C;JQSQMFDJNIDYPM-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42040;MM42040;CN(C)CC(C)(C#N)C#N;SLRLALGVNXPRCS-UHFFFAOYSA-N;137.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42041;MM42041;C#CC(C)(O)C=NOC;ZLLKBYYPKRBAHO-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42042;MM42042;C#CC(C)(O)C=CC=O;VGKVQLZEPMZODE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42043;MM42043;C#CC(C)(O)C=NN=C;VNEDFDKUMUJLRQ-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42044;MM42044;C#CC(COC)N=CNO;IMDOYDGZMQRHLZ-UHFFFAOYSA-N;142.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42045;MM42045;CC(C)(C#CCO)CO;JFAPACMTTWEYJS-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42046;MM42046;CC=NN(CC#N)C(C)=N;RHJYOVLGHZVKEM-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42047;MM42047;C=CCCNC(C)C=O;RSFHWNKBAZTFKU-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42048;MM42048;C#CC(CC)C(=O)C(=N)N;XWRBLENKZGBBQB-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42049;MM42049;CCNC(C#N)CCCO;YXVQCQHRCLAHKC-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42050;MM42050;CCC(C)(O)C#CCO;WZUCYKPSXNHMLV-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42051;MM42051;CC(O)(C#CCF)CO;MMKGTKAPPONFLS-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42052;MM42052;CC(O)(C#CCO)CF;PNELXENLCVORHT-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42053;MM42053;C=CC(C#N)(COC)NC;SJSICAMXVUMOBJ-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42054;MM42054;CC(=NOC=NN)NN;JQVZKXJXCPIPMJ-UHFFFAOYSA-N;131.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42055;MM42055;CC(F)(C#CCO)CO;QWCSXLIZEVSRRI-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42056;MM42056;CC(F)(C#CCF)CO;XMDSBERDJLSHDY-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42057;MM42057;CC(F)(C#CCO)CF;VWDZAYXDUGSAEQ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42058;MM42058;CC(C)OC(=NN)N(C)N;WHDBAAVMCNQCDK-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42059;MM42059;C#CCNC(C#CC)=NN;VGRMWOCSJFGBLE-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42060;MM42060;OCC#CC(F)(F)CO;XBXZTENDDALBBV-UHFFFAOYSA-N;136.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42061;MM42061;C=NN=C(CF)N=CNN;KDASNIPELVSUKE-UHFFFAOYSA-N;145.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42062;MM42062;C#CC(CC)NN=C;DMKRBJXSURPBIC-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42063;MM42063;COC(C)(C)C#CCO;SXTXQDJPSSMQJA-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42064;MM42064;CC(C)(C#CC=O)CO;CAKXDZAFAZBECQ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42065;MM42065;CC(C)(C#CC#N)CO;NQCLNWBZXUBMCT-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42066;MM42066;CC=NN(C)CCOC;OMHUVDYNNAAKFR-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-hydroxy-4-methylhex-2-ynal;MM01694;CCC(C)(O)C#CC=O;LCRSPNGZOFSDHF-UHFFFAOYSA-N;126.16;0.35;3164167;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42067;MM42067;C=CC#CC(C)(O)CO;GXTFSFCTYKKYJL-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42068;MM42068;CC(O)(C#CC#N)CO;DBRZLRLPMUUYJW-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42069;MM42069;CC(O)(C#CC=O)CF;JFHMMYSHQRCDDG-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15482;MM15482;C=CC#CC(C)(F)CO;QCIRINQWPAEVBH-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42070;MM42070;CC(F)(C#CC=O)CO;CXDDYAYVVOFBKS-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42071;MM42071;C=CC#CC(F)(F)CO;LCGZKIGCZLNCTP-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42072;MM42072;O=CC#CC(F)(F)CO;DJRAHMSYALOVMS-UHFFFAOYSA-N;134.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42073;MM42073;CCC(=N)N(C=O)CC;KJKWVBDTZQRTDZ-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42074;MM42074;COC(C)(C)C#CC=O;HMBDRNWZOIUYLG-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42075;MM42075;C#CC(F)(C#N)CN(C)C;DAWAQLKMYNXXTN-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42076;MM42076;CC(=O)N=C(C)N(C)C;KIKAGQFJTPNQAV-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42077;MM42077;CNC(C)=NN=CCOC;MBVJJXFVQDEVMB-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42078;MM42078;C#CC#CC(C)(O)CO;XTNUGLADVSCRGB-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42079;MM42079;C#CC#CC(C)(F)CO;YSICHIQJNPDASP-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42080;MM42080;C#CC#CC(F)(F)CO;GBKBNHUTMIELRX-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42081;MM42081;CC(C)(C#CCO)C=O;UWVUMDGYWCOMKM-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42082;MM42082;CC(C)(C#N)C#CCO;WLAVVFZERMGZLX-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42083;MM42083;CCNC(=CC#N)N(C)C;JBAHIDNRZMDQIF-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42084;MM42084;C=CC(C)(O)C#CCO;PEUNOLUSLFTBCQ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42085;MM42085;CC(O)(C#CCF)C=O;LSBDOASKQYYMJI-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42086;MM42086;CC(O)(C#N)C#CCF;YQJVJKSYGMCLTD-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42087;MM42087;CC(F)(C#N)C#CCO;KIWHNOUSHZIQRP-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42088;MM42088;O=CC(F)(F)C#CCO;IXOLOWXSIHCFAQ-UHFFFAOYSA-N;134.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42089;MM42089;CC(C)(C#N)C#CC#N;ODVYKOVXKIDTJA-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42090;MM42090;C=CC(C)(O)C#CC=O;SCNAMLRUKUNLCR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42091;MM42091;C=CC#CC(C)(O)C=O;QBUSTKUPYXEWAJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42092;MM42092;C=CC#CC(C)(O)C#N;WUSOKFISVZKHDD-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42093;MM42093;CC(O)(C#CC=O)C=O;FIEDQWBTFXBRFD-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42094;MM42094;CC(O)(C#N)C#CC=O;MYFHTSCXQIHNPL-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42095;MM42095;CC(O)(C#CC#N)C=O;LFLQXDKITYKOJO-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42096;MM42096;CC(O)(C#N)C#CC#N;QRKUBILNWGJEFL-UHFFFAOYSA-N;120.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42097;MM42097;CC(F)(C#N)C#CC#N;QBWWQQQJKXEFEW-UHFFFAOYSA-N;122.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42098;MM42098;C#CC#CC(C)(O)C=O;AIEMHHYYSLRXQT-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42099;MM42099;C#CC#CC(C)(O)C#N;ODMFZUASQUCAIR-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42100;MM42100;C#CCN(C=O)NCCC;ZCPMSYRLCUQVGB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42101;MM42101;C#CC(=N)NC(C#N)=CF;OLTYGCLJFRORGB-UHFFFAOYSA-N;137.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42102;MM42102;CCCC=NN(C=N)C=N;LJILILPJWNSTMV-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42103;MM42103;C#CC(C)(O)C#CCO;BSKOYOARBIKARS-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42104;MM42104;C#CC(C)(O)C#CCF;AENDZKOZTWUSPP-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42105;MM42105;C#CCNCC#N;VKMQENXKRDPRHY-UHFFFAOYSA-N;94.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15337;MM15337;C#CC(C)(O)C#CC=C;FVNSKYWDRUJQAB-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42106;MM42106;C#CC(C)(O)C#CC=O;ALAWKYRBHKPSCZ-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42107;MM42107;CCNN(C=O)CC;CRZOVTYMXDRLNS-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15327;MM15327;C#CC#CC(C)(O)C#C;LPFUPUJOMQYBFN-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42108;MM42108;CC=NN(C=N)C=N;PAAGIZSLLFFMEK-UHFFFAOYSA-N;112.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42109;MM42109;CNC(=CC#N)N(C)C;NLYOFYVRPSLJSB-UHFFFAOYSA-N;125.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42110;MM42110;C=NOCC=CC=NN;AJAGPYJBTIGHIA-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42111;MM42111;C=CC#CCNC(C)C#N;GYJSRAUKIPPVBW-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42112;MM42112;CCN(C=O)C(C)=N;YJFQDEAQBAZVOR-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42113;MM42113;CCCC(C)(CO)CO;JVZZUPJFERSVRN-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42114;MM42114;CN(C)C(=O)N(N)C=N;VEUMREFZAOTIND-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42115;MM42115;CC(CF)(CF)CCF;RYKFEALSMRFBTL-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42116;MM42116;CCNN=CC(C)COC;ZHTUMYZHFOSEKR-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42117;MM42117;CN(C=NC=O)CCC#N;CRTBEZXGMNGPCZ-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42118;MM42118;C=NN=CN(C)C=NC=N;BTAIFGJRZDOREG-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42119;MM42119;COC=CN=C(CF)NN;ZJPRGMOTHHEZLO-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42120;MM42120;C=NN(CC#N)C(=N)CC;LXNMHICBQLIVFE-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42121;MM42121;C#CC(=NO)N(O)C(C)=N;FPVFXZKIGBPUAZ-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42122;MM42122;CC=CN(NC)C(=N)C#N;MIGGBXJOIQYGOT-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42123;MM42123;CNN(C=NC=O)CC#N;NPJBQFBHEVMPLO-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42124;MM42124;CCCC(O)(CC)CO;GMLXBSIHGBBDAR-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42125;MM42125;CCC(O)(CO)CCF;XMUYUAXOBZNWBV-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42126;MM42126;CC(C=NO)=C(N)CCF;OLYSPPBSMLJUDA-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42127;MM42127;CCCC(O)(CO)CF;YRPZFOGGXCSUKA-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42128;MM42128;C=NNCCON=C;CHTASCHJCKFBMC-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42129;MM42129;COCC=CC=NN;OEPFHLAZUBZUJS-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42130;MM42130;C=NN(C)C=NCCF;PYAPVNHMCZIHEC-UHFFFAOYSA-N;131.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42131;MM42131;C=NN(CC#N)C(C)=N;OFAVRWXLUCHRRG-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42132;MM42132;C=NNCCNCC#N;BTIMEDLUXFIRQS-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42133;MM42133;C#CCCNN=CC=C;RKXKACWXGCHAHW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42134;MM42134;CC#CC=CC(=NO)NN;KIPUMXBMRCEPQB-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42135;MM42135;CC(C)C(=NO)NN;KCNDMFIHEPJMRT-UHFFFAOYSA-N;117.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42136;MM42136;COCC(C)(CO)CF;ZXVKTBKTXFMBAN-UHFFFAOYSA-N;136.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42137;MM42137;CCC(F)(CO)COC;JZBHAOUANZKHLQ-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42138;MM42138;C=C(C)N(NCC)C(C)=O;NCPDHSQUZFOPPZ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42139;MM42139;CCC(C)(CF)NCC#N;JJPDKGJNXDULIA-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42140;MM42140;CCC(=NO)NN;JOOCITHGAGIADN-UHFFFAOYSA-N;103.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42141;MM42141;CNC(C=O)CCCF;ZKTGFXNQXSAKQZ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42142;MM42142;C#CC(C)CC=NNCC;PWUXEOBTFZJCIH-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42143;MM42143;CNC(=NOCCF)OC;OFSDZGQVZLWDDV-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42144;MM42144;COC(C)(CO)CCF;YBKGTSNRKDDVHG-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42145;MM42145;COC(C)(CF)CCO;XJOHDPHBFIZNEO-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42146;MM42146;CCCC(=NO)NN;XDAOOTVHLJUBHR-UHFFFAOYSA-N;117.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42147;MM42147;COCC(C)(CO)OC;KQGFZIAQYZOWFB-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42148;MM42148;C=NN(C=N)C=N;WZJLXJGYUZQGHF-UHFFFAOYSA-N;98.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42149;MM42149;COC(C)(CCO)OC;OENXSJBPQAIXAD-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42150;MM42150;CC(=N)N(C)C(C)=O;BVDZCLUODCXBAY-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42151;MM42151;COCC(C)(OC)OC;GFZJNCZYURGYEX-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42152;MM42152;C#CC(=CC#N)N(C)C;GENUYBOMPQZMRM-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42153;MM42153;C#CC(=N)NC(C#N)C#N;OBIVAUJTXKVZGG-UHFFFAOYSA-N;132.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42154;MM42154;CCOC(C)(CO)CO;RCWCKWHQSTWONP-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42155;MM42155;C#CC(=C)C(C#N)NC;WWEUWQVNRKUKQC-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42156;MM42156;CCOC(C)(CO)OC;SWLOEYRZMSBXNM-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42157;MM42157;CCC(C)(CO)CC=O;MEWJFEXVKKJTCN-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42158;MM42158;CCC(C)(F)CNCC#N;NVFYFVCWWJPXHQ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42159;MM42159;CC(CO)(CO)CC#N;AZUXSCGIYCLOQJ-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42160;MM42160;CC(CO)(CF)CC#N;HRNVSPQRZIKXAC-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42161;MM42161;C=C(C)C=NNCCOC;ROGZPZIKKBHKFN-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42162;MM42162;CC#CC(=NN)N(O)C=N;KSZDXMSMNJPECC-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42163;MM42163;N#CC#CC1CN1;JEQJXXVFQSBUIG-UHFFFAOYSA-N;92.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42164;MM42164;C=NNCC(=C)OC;KEWGMWUUKOXYOW-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42165;MM42165;C=CCN(C=O)NCC;YJUZWBZEOAUSPO-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42166;MM42166;CCC(O)(CC)CC=O;APAXAUQSAQWWIH-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42167;MM42167;CCCC(C=O)NC;OPNAJQHXRHOMQK-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42168;MM42168;CCC(O)(CO)CC=O;IEDIHAYQXTWALW-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42169;MM42169;CCC(O)(CO)CC#N;HFQHTGURYCQLGX-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42170;MM42170;N#CCC(O)(CO)CF;WRTAIXTUISFSMF-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42171;MM42171;C=CC=NNCCOC;AMKBXOAGULEUDW-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42172;MM42172;CCC(F)(CO)CC#N;IDPQOAZZIHNTCM-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42173;MM42173;CN(C)N=CC(F)=C(N)N;VDHQPBHIRTWYPB-UHFFFAOYSA-N;146.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42174;MM42174;C=NN(C=CC=O)C=NC;YAYXUMGZICAKAE-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42175;MM42175;C=CCC(F)(CO)CO;DVNIXXWWDWXGFV-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42176;MM42176;N#CCC(F)(CO)CF;XZDLDJNZDBDCKS-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42177;MM42177;CC=NN1CC1;PITKIMHQMHOYDS-UHFFFAOYSA-N;84.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42178;MM42178;C#CC(CN)NN=CCC;JNPSGIZJNYDDCO-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42179;MM42179;COC(=N)N=CN(O)C=N;WNSHMTVLKJCIIW-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42180;MM42180;COC(C)(CO)CC=O;UHKKPZBKWFRJHD-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42181;MM42181;COC(C)(CO)CC#N;IJRUSWMTBHTVTQ-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-dimethoxybutanal;MM02706;COC(C)(CC=O)OC;SXDCKSSXFPOLRX-UHFFFAOYSA-N;132.16;0.58;23065701;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42182;MM42182;COC(C)(CC#N)OC;WUQUJQKYHMREAC-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42183;MM42183;CC(C)CNN(C)C=O;GNMNVLZTZWLPPF-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42184;MM42184;CCOC(=NOC)NC;NFPWDPJWZODCNK-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42185;MM42185;CCON=C(NC)OC;MCVILFOPJMDFLM-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42186;MM42186;C=COC(C)(CO)CO;CCAOOTFUQRNKQE-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42187;MM42187;C=C(CN)OC(C)=NO;NCRIKFWNYPUSCZ-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42188;MM42188;C=CC(CO)=NNC=NC;ARGHVBMBNCYKKT-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42189;MM42189;CN(CCC#N)CCC#N;NPMCIHCQSNHBDX-UHFFFAOYSA-N;137.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42190;MM42190;C=COC(C)(CO)OC;QBLJHAFUUZBIRH-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42191;MM42191;COC(C)(CO)OC=O;LSGRJWMACQJTKW-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42192;MM42192;C#CC(C)C(C)NN=CC;VQAMPWLZRZDPKH-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42193;MM42193;CN=C(OCC#N)N(C)O;RHCDVINZIZHYPL-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42194;MM42194;C#CCC(C)(CO)CO;CEIDCILOVCXUFB-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42195;MM42195;CON=CNNC=NOC;RQWCWDLHEVVPNT-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42196;MM42196;C=COCCNN=C;OHYMUDLVTJCKRR-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42197;MM42197;CC(C#CCN)OC=NO;GREWTDRNZSDSKN-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42198;MM42198;C#CCC(O)(CC)CO;QJQGSNZRTPXSLT-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42199;MM42199;CC=NNCC(C)OC;OOGOLZNGRLPAAD-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42200;MM42200;C=NOCCNN=CC;BIOCTJPWMUBYMQ-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42201;MM42201;C=CC(=C)C(CN)=NO;OFEUKKYSNKWNAL-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42202;MM42202;C=CCCNN(C=O)CC;HIBNBEFUPZQWKO-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42203;MM42203;CC(C#N)(CF)CCO;YYSYBKPLCZPYFX-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42204;MM42204;CC(=NC=NC=N)N(C)O;UGNXQZKZFLGLLZ-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42205;MM42205;NN=CC(F)=C(N)N;KEBPUEIPQFPHRS-UHFFFAOYSA-N;118.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42206;MM42206;CNC(=NOC)OC;AOOCMYNRFVUMNJ-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42207;MM42207;CNN=CC(F)=C(N)N;HIYRECIVLFBKPL-UHFFFAOYSA-N;132.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42208;MM42208;CC#CC(=O)C(N)=NC;KZSKZWHPRSZMRG-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42209;MM42209;C=CC(O)(CC)CCO;HNRDYZDQZOYLFF-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42210;MM42210;CNC(=O)NN=CC(C)N;HMANJTCCBSCRME-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42211;MM42211;C=CC(O)(CO)CCC;QOVHZMZYAYLSIX-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42212;MM42212;CCCC(O)(C#N)CO;NIBRYVFSADRZBS-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42213;MM42213;C#CC(C)(CCC)NN=C;JHBQURKRRZSGDM-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42214;MM42214;CC(F)C=CN=C(N)C=O;LYZUELKQAGFPLM-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42215;MM42215;CCN=C(NO)C(C)=NN;YJPCYFASAUVFJV-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42216;MM42216;CC(C#N)CN=C(N)C=O;OTYNUDBRHSSNQT-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42217;MM42217;COCC(C)(C#N)CO;HOQSMSZMSCXCFF-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42218;MM42218;CCC(O)(C#N)COC;KCANRYPRMCLJEK-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42219;MM42219;COCC(O)(C#N)CO;RAVILZMDLPMELN-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42220;MM42220;C=CC(O)(CF)COC;YIMSXUMNYVIBCB-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42221;MM42221;COCC(O)(C#N)CF;XIARVNGDTNSRNP-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42222;MM42222;COCC(F)(C#N)CO;KOWCZQUZPTVPOK-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42223;MM42223;COCC(F)(C=O)CF;HZOOQIZBJIYOFM-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42224;MM42224;C#CCN(OC)C(=N)OC;IVBJOZSDDZWKPI-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42225;MM42225;CCON(C=N)C(=N)C=O;IASNUMLHRNGKLR-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42226;MM42226;C=NNC(C)C(=C)OC;ZCTZRLWAJWPWRD-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42227;MM42227;COC=CCN(C)CC#N;UKJHBTWIHNMWEH-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42228;MM42228;C=NOC(=N)N(C)CC#N;OYXWROXPGWOPCR-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42229;MM42229;COC(C)(C#N)CCO;BLLIBWIFXSFJGD-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42230;MM42230;COC(C)(C=O)CCF;YXCLHJVZMWQFLL-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42231;MM42231;COC(C)(C#N)CCF;AHOYGEKLYWSHIX-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42232;MM42232;C#CCN(NCC)C(C)=O;IPMSFCGRBCXDFO-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42233;MM42233;C=CC(C=C)NC(=N)C=O;CAKGDXZNGJTBRQ-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42234;MM42234;COCC(C)(C=O)OC;WCFLCODXZOVPBH-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42235;MM42235;COCC(C)(C#N)OC;KLINBRUOPSHUPP-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42236;MM42236;C#CC(=N)N(C)N=COC;CEFDURIEHFORAR-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42237;MM42237;COC(=NN)NC(C)CO;YCIDISDEHUXDJZ-UHFFFAOYSA-N;147.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42238;MM42238;CCOC(C)(C=O)CO;NUTNQJXNQSZPMZ-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42239;MM42239;CCOC(C)(C#N)CO;VNQUZPYTNRHFLI-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42240;MM42240;CCOC(C)(C#N)OC;VQDAMDAKQKGLRF-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42241;MM42241;C=CC(C)(CO)CC#N;QVRJPQGKVBBZFZ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42242;MM42242;CC(C=O)(CO)CC=O;NZXDXDGEJMHHRT-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42243;MM42243;CC(C#N)(CO)CC#N;OKLJKQDUMBLCMK-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15752;MM15752;CC(C=O)(CF)CC=O;BBYLIOWNIJETOR-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42244;MM42244;CC(C#N)(CF)CC#N;WLQVVVCWKMNDGI-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42245;MM42245;COCC=CNC(=N)C#N;FWMNPYKDXZTBME-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42246;MM42246;CCON=C(NN)NOC;PMTVPWDGPOTYMN-UHFFFAOYSA-N;148.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42247;MM42247;CCC(O)(C=O)CC#N;PFMRVMYBBBSHCL-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42248;MM42248;CCC(O)(C#N)CC=O;BCRSZOWDTMCMOP-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42249;MM42249;CCC(O)(C#N)CC#N;ZQXCMFRWRHARIB-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42250;MM42250;C=CCC(O)(C=C)CO;JZDGFQIIBYBXSO-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42251;MM42251;C=CC(O)(CO)CC#N;GFGCJIHNYYTYCI-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42252;MM42252;N#CCC(O)(C=O)CO;LHIUWNJMFQTQKM-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42253;MM42253;N#CCC(O)(C#N)CO;NRDOWGCTJYTBOP-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42254;MM42254;C=CC(O)(CF)CC#N;BVIBITDEHCJEOG-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42255;MM42255;N#CCC(O)(C#N)CF;BSRKTSDWPQPPSV-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42256;MM42256;C=CC(F)(CO)CC=O;NKPKINWPFOGBOK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42257;MM42257;C=CC(F)(CO)CC#N;ZTHGGWCSWQCWLH-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42258;MM42258;C=CCC(F)(C=O)CO;VLDBPZFPTIGFKK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42259;MM42259;N#CCC(F)(C=O)CO;PPJLXDFYMKKJHW-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42260;MM42260;N#CCC(F)(C#N)CO;FOFXLHCRTDXJTE-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42261;MM42261;CCONC(=NOC)NN;PMTVPWDGPOTYMN-UHFFFAOYSA-N;148.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42262;MM42262;CN=C(C=O)N(C=N)C=N;AWZMMQWTYMHQGG-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42263;MM42263;C=CCC(C)(C#N)OC;USMIBMDUKKJCPT-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42264;MM42264;COC(C)(C=O)CC#N;QVDPPDHNCBXEND-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15860;MM15860;COC(C)(C#N)CC=O;SHSGODXPHNFESP-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42265;MM42265;COC(C)(C#N)CC#N;GXOOULDGHSIRTH-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42266;MM42266;C=CCON=C;FNDWSPPPZQCZST-UHFFFAOYSA-N;85.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42267;MM42267;CCC(C)(C=O)NC=O;CDWIJGRNDFZMIP-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42268;MM42268;CC(C=O)(CO)NC=O;NEXQLLNYARETPX-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42269;MM42269;CC(C#N)(CO)NC=O;HJRGMWGWHJUOCZ-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42270;MM42270;C=NNC(C)C=COC;SKMGQRNLPDOSNV-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42271;MM42271;CN(O)C=NNCC=O;OFRRWAYDCMTRJK-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42272;MM42272;CC=NNCCOC(C)C;ABZWBPYELHTHSX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42273;MM42273;C=C(C=O)C(C)(C#N)NC;UKBWPTOYWWLSJM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42274;MM42274;C=COC(C)(C=O)CO;LBEWURQDXYPWKP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42275;MM42275;C=COC(C)(C#N)CO;HPJWBIAQLRNGOE-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42276;MM42276;CN=CNN=CC=O;KMOQOHPAWKXZAG-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42277;MM42277;C=COC(C)(C=O)OC;ZRWZHWZLMISJID-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42278;MM42278;C=COC(C)(C#N)OC;LQDYNTWPZPYESX-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42279;MM42279;COC(C)(C#N)OC=O;PSRPJAPXVVIHIF-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42280;MM42280;CC(C)C(CF)NCC#N;SRBDTWSBZAVTGX-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42281;MM42281;C#CCC(C)(C#N)CO;SLBZLKRMYDPBRM-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42282;MM42282;C=CCOC(=NN)N(C)N;ODVUKOFXBUEHCH-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42283;MM42283;C#CCC(F)(C#N)CO;ZFTJGECPXLTAEX-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42284;MM42284;C=NNCCOC;XKWVPPZUSMNMJO-UHFFFAOYSA-N;102.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42285;MM42285;NN=CCC=NN;LECQNAWZHIVWOB-UHFFFAOYSA-N;100.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42286;MM42286;C#CC(C)(C#N)NC;MOWYKFYUPFLCDT-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42287;MM42287;C#CC(C)(CO)CCO;UNQMIAUQGLWKLQ-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42288;MM42288;C#CCNC(C)C#N;NZVANVPRQZUJGW-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42289;MM42289;CCN=C(C#N)NC;ULDSKRJNLHYUBQ-UHFFFAOYSA-N;111.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42290;MM42290;CC=C(C)NC(=N)C#N;BJLOBZJRXFTEPC-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42291;MM42291;C=NN=COC(=NN)NC;YTJYPSCQEOTOPJ-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42292;MM42292;C=CC#CC(=NN)NN;NELXUXHNSNOWNR-UHFFFAOYSA-N;124.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42293;MM42293;C#CC(O)(CO)CCC;QNDFPTWFHVCPBQ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42294;MM42294;CC(CC(C)=NN)=NN;WJMISUBPRBTCHT-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42295;MM42295;C=NNCC(C)ON=C;JJVNZWRRAKAZLF-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42296;MM42296;C=CC(C#N)NC=NNC;XQLKLIDGQHESBL-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42297;MM42297;COC(=CC#N)N(C)C;GBQXSGMBYWTXEX-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42298;MM42298;CON(C=N)C(=N)C=O;FDZJEILCMOLIEK-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42299;MM42299;CCC(=O)NN=CC(C)N;MAQRESFEQIZXCW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42300;MM42300;C=CCCC(=N)N(C)C=O;VMWRYGONIXEGDZ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42301;MM42301;C#CC(C)(CO)COC;NEWHLYZWXQNRIC-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42302;MM42302;COC=CC(C#N)N(C)C;ZHAWUDYFISCJAV-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42303;MM42303;C=C(C)CON(C)C=NN;KQISMUBCHMQUOI-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42304;MM42304;C#CC(O)(CC)COC;KHIPOKRNSDSGML-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42305;MM42305;C#CC(O)(CO)COC;MMFXOQKKNPVXLD-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42306;MM42306;C#CC(F)(CO)COC;KVJSUXCLRQSXNH-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42307;MM42307;C=NOC;KQBWUPMFKBDNJJ-UHFFFAOYSA-N;59.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42308;MM42308;C#CCC(C)NN=C;SXHJPOJIEQIFJT-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42309;MM42309;N#CCNCC=CF;UHCYKPSFUVDQBW-UHFFFAOYSA-N;114.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42310;MM42310;C#CC(C)(CCO)OC;KCLIWWCHYRLUIQ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42311;MM42311;C=NNCC(=C)COC;YZPFYLPYTZCQLF-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42312;MM42312;C#CC(C)(COC)OC;SLOBBDYDVPGTBM-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42313;MM42313;C#CC(C)(CO)OCC;QTVHFFXEVMTIJP-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42314;MM42314;C=CC=CNC(=N)C#N;AZBJUKBKNWOMCE-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42315;MM42315;C#CC(C)(CO)CC=O;QISWFGMRGLQEEJ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42316;MM42316;C#CC(C)(CO)CC#N;YSWHGAFCUSNXLR-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42317;MM42317;C=CC(CNN=C)OC;IJUYDXWGRSXBGZ-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42318;MM42318;C#CC(O)(CC)CC=O;DLMGSFJOGHZPFU-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42319;MM42319;C#CC(O)(CC)CC#N;XYLFUJVBKQVGNZ-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42320;MM42320;C#CC(O)(CO)CC#N;FVUUOIXMBJQWPM-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42321;MM42321;C#CC(O)(CF)CC#N;VYNQPSPIDJYZLY-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42322;MM42322;C#CC(F)(CO)CC#N;JBSPVAVGULAWQU-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42323;MM42323;C=CC=CC(=NO)C(=N)N;NJVJTPUFURTPII-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42324;MM42324;C#CC(C)(CC#N)OC;DWXUVDFXUCKQQA-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42325;MM42325;C=CCOCCNN=C;LFQPRKAVQDJHRJ-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42326;MM42326;CC(=NN)C(C)C(C)=NN;IMABSOYFUYNVIL-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42327;MM42327;C#CC(C)(CO)OC=C;XZFFKAVQNHBIKF-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42328;MM42328;C#CC(C)(OC)OC=C;ZURVNDFUTOABAZ-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42329;MM42329;C#CC(C)(OC)OC=O;OGYBPCQFALOEEY-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42330;MM42330;C#CCNC=NOCOC;PZUXZSFAJQOPKC-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42331;MM42331;C=CNC(=N)C(=O)C(=N)N;LVGFPFBHNUAIQA-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42332;MM42332;C#CCC(O)(C#C)CO;JQZWNIZXQIFAEX-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42333;MM42333;CC(C=O)(C=O)CCO;JMGJODFMONHMQZ-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42334;MM42334;CC(C#N)(C#N)CCO;SVXVENOFMUKHFX-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42335;MM42335;CC(C#N)(C=O)CCF;XNUHQXSQBTZQRT-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42336;MM42336;C=CC(O)(C=C)CCO;SJQMZFHXEDGMHL-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42337;MM42337;C=CC(O)(C#N)CCO;QPVHQTQZDQCGCY-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42338;MM42338;C=CC(O)(C=O)CCF;TXVRFTNOSICCDA-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42339;MM42339;CCCC(O)(C=O)C=O;JWDHEWCTJHBDBB-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42340;MM42340;CCCC(O)(C#N)C=O;MUBIOFVSXBWVFS-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42341;MM42341;CCCC(O)(C#N)C#N;JGMUQNVQUCOIBP-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42342;MM42342;N#CC(O)(C#N)CCF;RYENOBTUPMFWPH-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42343;MM42343;N#CC(F)(C#N)CCO;DLGVUPHIPDQHIN-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42344;MM42344;C=NN1CC1;DFNHOILPQUQQGQ-UHFFFAOYSA-N;70.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42345;MM42345;CC(CC=NN)=NN;DDBPEETYDJXOHX-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42346;MM42346;CCCCNCC(=O)NN;RFCACQOWBPEEEU-UHFFFAOYSA-N;145.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42347;MM42347;CNC(C#N)C=CF;KNQDNRZHIXKOKW-UHFFFAOYSA-N;114.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42348;MM42348;CNN(C=O)C(C)C;YGRIYEOLOWMCTD-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42349;MM42349;CC=NNCC=NN;KWPZZKCLPCNETC-UHFFFAOYSA-N;114.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42350;MM42350;CCN(C=O)NC(C)C;GMWKOSGPTUEZDC-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42351;MM42351;COCC(C)(C#N)C=O;QNRHFWVUXCGOPE-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42352;MM42352;COCC(C)(C#N)C#N;ZWYMPXSGJCOFNS-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42353;MM42353;C=CC(O)(C#N)COC;STVDFGSODKUMHJ-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42354;MM42354;COCC(O)(C=O)C=O;FVRUWQJYALBOPY-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42355;MM42355;COCC(O)(C#N)C=O;YQZOWDQYOFRKAE-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42356;MM42356;COCC(O)(C#N)C#N;DWKMJXMTUVAAJL-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42357;MM42357;COCC(F)(C=O)C=O;CSTFVMXMJUDSFF-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42358;MM42358;COCC(F)(C#N)C#N;MVXSNMGQNDHIDF-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42359;MM42359;CON=C(OC)N(C)C;DPCCLSJSQFVKHT-UHFFFAOYSA-N;132.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42360;MM42360;C=NNCC=NN;DGSSLTZMEZDQLG-UHFFFAOYSA-N;100.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42361;MM42361;CCOC(C)(C=O)C=O;IKDJTHAWXYKEQD-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42362;MM42362;CCOC(C)(C#N)C=O;RHBDWOUIDRZQRF-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42363;MM42363;CCOC(C)(C#N)C#N;XDJPSMITZADFEN-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42364;MM42364;C=CC(C)(C=O)CC#N;PRSDHQQXQDPTBK-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42365;MM42365;CC(C=O)(C=O)CC#N;OIBHZODTXOHJBQ-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42366;MM42366;CC(C#N)(C=O)CC#N;SWTQUJLWXVKGAP-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15718;MM15718;CC(C#N)(C#N)CC=O;AEQPNMKNFXOIJT-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42367;MM42367;CC(C#N)(C#N)CC#N;FIIIDXMQPWRHBL-UHFFFAOYSA-N;119.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42368;MM42368;C=CC(O)(C=O)CC=O;VYLJXRQHGZKYQE-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42369;MM42369;C=CC(O)(C=O)CC#N;VYFGICQQMATTML-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42370;MM42370;C=CC(O)(C#N)CC#N;NVJUZCPMOFDUJA-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42371;MM42371;C=CCC(O)(C=O)C=O;ZBDQSBGZHVFTNB-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42372;MM42372;C=CCC(O)(C#N)C#N;WSLVZEOZFMUTMI-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42373;MM42373;N#CCC(O)(C=O)C=O;OURFMJFIEFPCNZ-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42374;MM42374;N#CCC(O)(C#N)C=O;AHJMBPVVKNNMBW-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42375;MM42375;N#CCC(O)(C#N)C#N;XMSSLCXYQKRZGO-UHFFFAOYSA-N;121.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42376;MM42376;C=CCC(F)(C=O)C=O;ZSACICILRKCWHT-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42377;MM42377;C=CCC(F)(C#N)C#N;PMZLTQARLBZROM-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42378;MM42378;N#CCC(F)(C=O)C=O;LUQSPKFSJXEKBU-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42379;MM42379;N#CCC(F)(C#N)C=O;DLVWSZBOZSZJLF-UHFFFAOYSA-N;126.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15705;MM15705;N#CC(F)(C#N)CC=O;CIZUWTCXHHOSGH-UHFFFAOYSA-N;126.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42380;MM42380;N#CCC(F)(C#N)C#N;CUVOKVNSICDTQE-UHFFFAOYSA-N;123.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42381;MM42381;CC=NNCC(C)=NN;XZVCLZSOUZHGAF-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42382;MM42382;CCCN(NC)C(C)=O;DBZSJZXRGQGPFK-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42383;MM42383;CC(C)=NN(C)CC=NN;QSWJTSHOYRETAK-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42384;MM42384;CNCC(C)(F)C(C)(C)O;QHHLNRUSTHZWMH-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42385;MM42385;CC(C=O)(C=O)NC=O;JTBDYYBLHGFWKD-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42386;MM42386;CC(C#N)(C=O)NC=O;LULNGMAYUJZSAR-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42387;MM42387;CC(C#N)(C#N)NC=O;MVYVLVQVSDEFSS-UHFFFAOYSA-N;123.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42388;MM42388;C=NN(C)CC(=O)C(=N)N;IMWDTPGAJRVKQV-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42389;MM42389;C=NNC(CC=NN)=NC;UJFDNGTVMLYJCM-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42390;MM42390;C=COC(C)(C=O)C=O;NDTGAGSKOCVXFM-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42391;MM42391;CC(C#N)(C=O)OC=O;ASHPMKWWBPZIJL-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42392;MM42392;CC(C#N)(C#N)OC=O;JJOKMPSTBOREOW-UHFFFAOYSA-N;124.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42393;MM42393;CON=CNC(C)(C)C=O;QQRNJDGVFMWJIJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42394;MM42394;CNN=CCNN=C(C)C;CHHLCOPXWUZJEW-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42395;MM42395;CNN(C=NOC)CC#N;KSHBLJGOYBIVQM-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42396;MM42396;C#CCC(C)(C#N)C#N;AHLJGDHTKVXYAF-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42397;MM42397;C#CCC(O)(C#N)C=O;YIAMMNAZARQTDH-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42398;MM42398;C#CCC(O)(C#N)C#N;LVLNZLTWDCBANZ-UHFFFAOYSA-N;120.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15651;MM15651;C#CCC(F)(C=O)C=O;BSFJCWWAUWIFNI-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42399;MM42399;C#CC(C)(C=O)CCO;MAMGURZFRSDSIU-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42400;MM42400;C#CC(O)(C=C)CCF;YJMHAAAVTAQENG-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42401;MM42401;C#CC(O)(C=O)CCC;BYPFQRXXVINCJE-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42402;MM42402;C#CC(O)(C#N)CCC;GHZZPGMWVMPEOV-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42403;MM42403;C#CC(O)(C=O)CCF;IFQNYBCZGBYILZ-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42404;MM42404;NN=CC1CC1;FYLSIEXQKNJDMH-UHFFFAOYSA-N;84.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42405;MM42405;C#CC(C)(C=O)COC;KYAYKTJPZICIDC-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42406;MM42406;C#CC(C)(C#N)COC;DBTPPDIKUNHTDJ-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42407;MM42407;C=NNC(C)COC;YYMODBRKUXZKHF-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42408;MM42408;C#CC(O)(C=C)COC;SZPVUZFUSYUUDC-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42409;MM42409;C#CC(O)(C#N)COC;IFMLIRCZEIIMHE-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42410;MM42410;C#CC(F)(C=O)COC;FHDCFJSKVYHMQS-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42411;MM42411;C#CC(F)(C#N)COC;JTXFGLWZFICBHR-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42412;MM42412;C#CC(C)(C#N)OCC;QUUMKAMIYIRUFO-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42413;MM42413;C#CC(C)(C=O)CC=O;BFIRXARMQAUXSI-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42414;MM42414;C#CC(C)(C=O)CC#N;QHEZRZZKKPPLSC-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42415;MM42415;C#CC(C)(C#N)CC#N;HASOAKPKLCRZJZ-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42416;MM42416;C#CC(O)(C=O)CC=C;QPIKKMFAOUYPOQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42417;MM42417;C#CC(O)(C#N)CC=C;RNEBPLSCERNQFC-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42418;MM42418;C#CC(O)(C=O)CC#N;YNMAAJCTJHEFHJ-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42419;MM42419;C#CC(O)(C#N)CC=O;ZMSNRROUQGNPEU-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42420;MM42420;C#CC(O)(C#N)CC#N;HXQJLYRSRBRGST-UHFFFAOYSA-N;120.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42421;MM42421;C#CC(F)(C=C)CC#N;GFQFIVLDKATGFL-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42422;MM42422;C#CC(F)(C=O)CC#N;BPOMGJSSEJRPML-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42423;MM42423;C#CC(F)(C#N)CC#N;PXAJBFOUHOZIBD-UHFFFAOYSA-N;122.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42424;MM42424;C#CC(C)(C=C)NC=O;YEYWUIFVBTYURQ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42425;MM42425;C=NN(C)CC(C)OC;UVXUTGOUZYBPNL-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42426;MM42426;C#CC(C)(C=O)NC=O;OJEJAUSVGUSFPG-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42427;MM42427;C#CC(C)(C#N)NC=O;DYVZUUVLIVFRKD-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42428;MM42428;CON=C(C=CF)NN;DHQMIULUMOOECB-UHFFFAOYSA-N;133.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42429;MM42429;C#CC(C)(C=O)OC=O;YCPLOPUFPWQJMI-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42430;MM42430;CNN=CCC(C)=NN;ICCYJEZWTZMQDZ-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42431;MM42431;CCCNN(C=O)CC;SNJBBPMZQKQNNO-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42432;MM42432;C#CCC(O)(C#C)C#N;CXASYUSBFUTYFR-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42433;MM42433;CN(C=N)C=NC(=N)CO;PQQROFBDHLEZBJ-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42434;MM42434;C=CCNC(C=O)=NC;GSVLWWQUUOCWMO-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42435;MM42435;C#CC(O)(C#C)CCO;NYACMZIZSDQLNU-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42436;MM42436;C#CC(O)(C#C)CCF;MAPJVOKTQFVCOK-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42437;MM42437;C=NOC=NN=CN(C)C;JIHGTRNULOYMKC-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42438;MM42438;CCC(C)=NNCC=NN;KJGQUBMXFQQXOC-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42439;MM42439;CC(C=NN)C=NN;JLSMUQDEVHWCQB-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42440;MM42440;CNC(=NN)OC=NO;ZGUNGUWGUDSKNY-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42441;MM42441;CNN=CCC=NN;RPZMYHOFSBVYDP-UHFFFAOYSA-N;114.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42442;MM42442;CC=NN(C)CC=NN;SNQQKMNUAZFOJA-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42443;MM42443;C#CC(O)(C#C)COC;HYLLOFVJDRVCLA-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42444;MM42444;C#CC(O)(C#C)CC=O;UYSHTCWJBGAXQP-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42445;MM42445;C#CC(F)(C#C)CC=O;JMYRXRXJBMZYSJ-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42446;MM42446;C#CC(C)(C#C)NC=O;QMBGCQTZFUYZHN-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42447;MM42447;C#CC(C)(C#C)OC=C;LGFRYFFJWUYUHC-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42448;MM42448;CCN(CC=O)CC=NO;UFMNAVQIRBPUNV-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42449;MM42449;CNN=C(C)CC=NN;FJLJBCZREVCVTI-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42450;MM42450;C#CC(C)NC=NOC;FDMYXCXEGHGRMZ-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42451;MM42451;CC(C=CF)(CO)CO;BXFUPMOFIDMAJH-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42452;MM42452;C#CC(C)C(C)NN=C;CQRDPHSPGXAGGS-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42453;MM42453;COC(C)=NN=CN(C)C;QEXJWMYZHOXBMY-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42454;MM42454;CC(F)=CC(=NO)NN;PWLXDJVGXFTHAM-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42455;MM42455;CN(N)C(C#CCF)=NO;HMGZMFONMIDNKS-UHFFFAOYSA-N;145.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42456;MM42456;C=CC#CC(=N)NC=NO;POGSLHHUKRCUPK-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42457;MM42457;C=CC#CC(=NO)N(C)N;ARNAEPGPUNGJDM-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42458;MM42458;CON=C(C#N)CN(C)C;LXYDTQYEKXKMKQ-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42459;MM42459;COC=C(C)C(=NO)NN;QXCGEYQFPLZJCC-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42460;MM42460;C#CCC(O)C(N)C(C)F;YXOVCRHZOQIBAS-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42461;MM42461;C=C(CC)N=C(CO)NN;MAJQDHWRNWMUFF-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42462;MM42462;C=NNC(=NC=N)NC;CNODFDTVPCWDMD-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42463;MM42463;CC=NNCC(C)=NNC;LPDOZFIOVMNIFQ-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42464;MM42464;COC(C)(C=CF)OC;OUBWNLYABIULSZ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42465;MM42465;C#CC(C)(NC)C(=O)C#N;OOFMZUQTSZGXMT-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42466;MM42466;COC(C)(C=NO)OC;JWVKHFBGZDLDNK-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42467;MM42467;C=NNCCOCC;GLTNNHCYENEOTG-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42468;MM42468;CC=CC(O)(C=O)CO;DJXRGMDJSKTKEA-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42469;MM42469;CC=CC(O)(C#N)CO;WDPCUDSQOSJMNT-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42470;MM42470;CC(C=O)(C=NO)CO;UHHHBWPXBYQKDX-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42471;MM42471;CC(C#N)(C=NO)CF;HNWAUKKBJJWHHO-UHFFFAOYSA-N;130.12;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42472;MM42472;C#CC(=N)N=C(NC)NO;IUZLLDARTVZQKX-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42473;MM42473;CCC(F)(C=O)C=NO;JGTBUDKCKUKXHM-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42474;MM42474;CC=CCNC(CO)CO;BDGGTWGXHHFGHW-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42475;MM42475;N#CC(F)(C=NO)CO;CATJBPIRWUUELK-UHFFFAOYSA-N;132.09;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42476;MM42476;CC(CC=NN(C)C)=NN;DJCIRFFGDQWUNP-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42477;MM42477;COC(C)=CC(=NO)NN;PBJAQKBFOYKKBV-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42478;MM42478;CC=CC(C)(C#N)OC;DUXWZKXZFFPBEO-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42479;MM42479;CNN=CCC(C)=NNC;OHVWTYINCTUYOR-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42480;MM42480;CNC(=NN=CCO)NC;ARYCXJBTRJGYEQ-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42481;MM42481;C#CC(O)(C=CC)CO;ASGFBWCJLGOXTE-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42482;MM42482;COC=CC(=NO)NN;HZXMCHPHIIEMEQ-UHFFFAOYSA-N;131.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42483;MM42483;C#CC(C)(C=NO)CO;FBEYWTNMPMUAFH-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42484;MM42484;C#CC(O)(C=NO)CC;KLHOOXFRGIJBQH-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42485;MM42485;C=C(CF)CNC(=N)C#N;ISFBJUIFDJNQNB-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42486;MM42486;C#CC(C)(C=NO)OC;MZFIIMSXVHCZHM-UHFFFAOYSA-N;127.14;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42487;MM42487;CC=CC(O)(C#N)C#N;AYCDVOQCWFHDSU-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42488;MM42488;O=CC(O)(C=O)C=CF;ZQEYXUWBJJKQJC-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42489;MM42489;N#CC(O)(C#N)C=CF;JVRMYGRWIHYJAO-UHFFFAOYSA-N;126.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42490;MM42490;CC(C#N)(C=O)C=NO;MBAPHDFSNCTVDH-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42491;MM42491;CC(C#N)(C#N)C=NO;KVTLNJHYRNGGSY-UHFFFAOYSA-N;123.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42492;MM42492;CCOC(C)C(=N)NO;CVFWTYFIVVWAHQ-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42493;MM42493;C=CC(O)(C#N)C=NO;ZRDQBJXKIKSIMM-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42494;MM42494;C=CC(F)(C=O)C=NO;CPOVQDIQMLVRLP-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16280;MM16280;N#CC(F)(C=O)C=NO;PYIZQWZPISWVJK-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16162;MM16162;N#CC(F)(C#N)C=NO;NQNSPMPDHXVVJT-UHFFFAOYSA-N;127.08;0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42495;MM42495;C#CC(O)(C=O)C=CF;RGXAORJCVSXHNV-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42496;MM42496;C#CC(O)(C#N)C=CF;MIJNWWCGFBHSLM-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42497;MM42497;CCOC=CC(=NO)NN;ZJLJOGPUFKTODQ-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42498;MM42498;C#CC(O)(C=C)C=NO;YJDXREKHWIYRHB-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16413;MM16413;C#CC(F)(C=O)C=NO;SACFFKQIGLULBF-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16238;MM16238;C#CC(F)(C#N)C=NO;WKWYVZXWZVJCEI-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42499;MM42499;CC=NNC(C)C(C)=NN;USBJNZDJIGLOHX-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42500;MM42500;C#CC(O)(C#C)C=CF;MCJJYKYWLZMJLM-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42501;MM42501;C#CC(O)(C#C)C=NN;LCHNNKNFYHXVFI-UHFFFAOYSA-N;122.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42502;MM42502;C#CC(O)(C#C)C=NO;GFGXBUGNFOPDAE-UHFFFAOYSA-N;123.11;-0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42503;MM42503;CC(CF)CC(=NO)NN;DBDQMNTVMAAVRU-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42504;MM42504;CCC(C=O)C(=N)NO;HDOPYBQWAUZMAE-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42505;MM42505;C#CC=C(C)C(=NO)NN;BLDBCAAWSNGRGO-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42506;MM42506;C=CNC(=O)NC(=N)CC;NGJXAVYGXWYQSF-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42507;MM42507;CCC(C)(C=O)C(=N)NO;QMWFVXQQPLEMSD-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42508;MM42508;CC#CC(F)(CO)CO;SYTFLJZJBJZSLE-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42509;MM42509;C=NOCCNC(=N)C#N;VNFQCFWXKNMQHI-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42510;MM42510;CC#CC(C)(CO)OC;ACKWZOPHOKAUOZ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42511;MM42511;CC#CC(C)(C#N)CO;HPJCWGHAWMZERQ-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42512;MM42512;CC#CC(O)(C#N)CC;VEZFLYUJCVXHDV-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42513;MM42513;C=CC(O)(C#CC)CO;DSDUUKMMNGSEJP-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42514;MM42514;CC#CC(O)(C#N)CO;BCCNCVMCOHQFPZ-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42515;MM42515;CC#CC(O)(C#N)CF;WJBCLHYJTWINFL-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42516;MM42516;CC#CC(F)(C=O)CO;KAHMJJMEAPIQEK-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42517;MM42517;CC#CC(F)(C#N)CO;CJUXTOXUEHPRBE-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42518;MM42518;COC(=O)ON=CC=CN;ICANRBMXFOBCDA-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42519;MM42519;CC(=NO)C(C)=C(C)N;UOZPROCNJNRMAV-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42520;MM42520;N#CCN=CNC(=N)CF;PTDSNTLULIFIPM-UHFFFAOYSA-N;142.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42521;MM42521;C#CC(O)(C#CC)CO;HIRGAEMYZQJAEP-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42522;MM42522;C#CC(F)(C#CC)CO;DPIGIHGLKLMBDQ-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42523;MM42523;CC#CC(C)(C#N)C#N;RLOAUOOKYOXLRC-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42524;MM42524;CC#CC(O)(C=O)C=O;DUWOQINYPFKEEL-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42525;MM42525;CC#CC(O)(C#N)C=O;SIATUJDOJMZOPD-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42526;MM42526;C#CC(O)(C#CC)C=O;PNIWXZXCNCRSTO-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42527;MM42527;C#CC(O)(C#N)C#CC;JSWYITRWQZYUFS-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42528;MM42528;CCN=C(C#N)N(C)NC;LDHZBLSQZDWQTQ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42529;MM42529;CC(=NC(C)CN)NO;ZZNWUPWWXMJRLM-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42530;MM42530;C#CC(CC=C)NCC#N;HOEHGAHPICHQMC-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42531;MM42531;CNN(CC=CF)C(C)=O;NQJNZBTXBBYSMB-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42532;MM42532;C=NN(C)CC=NN;YGXGHPJBGGYUAM-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42533;MM42533;CNC(=NO)NC=CC#N;XJXOWLWJQOQVMC-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42534;MM42534;C=NNCC(C)=NN;HHRIDZNMNIMJRD-UHFFFAOYSA-N;114.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42535;MM42535;C#CC(=C)N(O)C(=N)OC;PUIXVVTYPDRYRK-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42536;MM42536;C#CC(=N)N(O)C=NC;CZULFEGJBXOVCN-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42537;MM42537;C=C(C=O)CC(=NC)NO;COZATSSPQSFLOV-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42538;MM42538;C#CCCC(C)NN=C;CFMYFGVSMDQXHS-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42539;MM42539;CNN=C(C)C(F)=CN;HFMSAHZKHYJGGW-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42540;MM42540;C=CC(C)N(C=O)NC;WLJXFHRRMMJCBA-UHFFFAOYSA-N;128.18;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42541;MM42541;CC=NN(C)CC=NNC;UJTPJPZIUWWXRO-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42542;MM42542;CCNN=CC(F)=C(N)N;PBUYIMXCGAICQB-UHFFFAOYSA-N;146.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42543;MM42543;C#CC(C#N)(CC=C)NC;CPTZXCILBOOLJO-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42544;MM42544;C#CCNC(C#N)CC=C;HCSKVRYWBKOGQR-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42545;MM42545;COC(C)(OC)C(C)O;DXWNUMKRJFXZMZ-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42546;MM42546;CC=NNCC(CC)=NN;SCQUCDXCRSTFCY-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42547;MM42547;C=NN1CC1C;PFDZVUNCOPKPBW-UHFFFAOYSA-N;84.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42548;MM42548;CC1CC1C=NN;CQKSTPDAJBGNHP-UHFFFAOYSA-N;98.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42549;MM42549;C=NNC(C)(C)COC;LNTQNJUMXRROTO-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42550;MM42550;NN=C(CO)NO;SYIRFKOKCDHIGX-UHFFFAOYSA-N;105.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42551;MM42551;C=CC(O)(CO)C(C)C;XXNYGBBLEDZRDD-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42552;MM42552;CC(C)C(O)(C=O)CO;RKRIJPXMJMZPHL-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42553;MM42553;CC(C)C(O)(C#N)CO;HMOREWNEGLSXDN-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42554;MM42554;CC(O)C(O)(C#N)CO;VAKBMCYWHSRUDM-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42555;MM42555;C=CC(O)(CF)C(C)O;KSHKIKFWUMPXRO-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42556;MM42556;CC(O)C(O)(C#N)CF;RPMSJUKURHBLNZ-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42557;MM42557;CC(C)C(F)(C=O)CO;BEQUIJWJJCWXSU-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42558;MM42558;COCC(=N)N(O)CC#N;KVAKDQMQJLLQIQ-UHFFFAOYSA-N;143.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42559;MM42559;CC(O)C(F)(C#N)CO;XRSGONFLIYWZQY-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42560;MM42560;CC(C)(C=NN)C=NN;CIFMZGYTRANBMX-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42561;MM42561;CC#CC(=N)N(O)CC=O;KMZZXCJCWZHRRS-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42562;MM42562;C=CN(O)C=NNC(C)C;ILOMAMMNLLVDRH-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42563;MM42563;COC(C)(C#N)C(C)C;OOEGEUHVPUWGEM-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42564;MM42564;COC(C)(C#N)C(C)O;OXRKAJKJOLRVFR-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42565;MM42565;C#CCN(C)C(C)C#N;ATZZFIDFFHLRHB-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42566;MM42566;CNN=CN=C(C)N(C)O;OETDOVLJVWJSIC-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42567;MM42567;CNC(C)(C#N)C(C)CO;IFXWKDPPIRLJJI-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42568;MM42568;C#CC(C)(CO)C(C)O;VOEQUNUOKYYXRR-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42569;MM42569;COCC(CO)NCCO;XSNGTNHKKSERBM-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42570;MM42570;C#CC(=CC)C(CO)NC;DLEKOPJJPXYAEZ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42571;MM42571;C#CC(O)(CO)C(C)C;WKKDRGNFBHVZDE-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42572;MM42572;C#CC(O)(CC)C(C)O;PXCOTTXPTRQJFW-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42573;MM42573;C#CC(O)(CO)C(C)O;ASVNJNVVICZNFC-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42574;MM42574;C#CC(O)(CF)C(C)F;ALLGGHASBPPIPM-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42575;MM42575;CNN=CNC=C(F)C=O;HUUYBOBVAHQOMB-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42576;MM42576;C#CC(F)(CO)C(C)O;KKXNOFORNUASNN-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42577;MM42577;C#CC(F)(CO)C(C)F;UWLDECBHLGCRLZ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42578;MM42578;CNN=CCC=NNC;QQEUWPPJIUSNFM-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42579;MM42579;C#CC(C)(OC)C(C)O;OKBODYZYBISMPX-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42580;MM42580;CC(O)C(C)(C=O)C=O;DOBGHXNEHWAIDH-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42581;MM42581;CC(O)C(C)(C#N)C#N;FVUOJEOKXSELCW-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42582;MM42582;CC(C#N)(C#N)C(F)F;UPMDZZHODBXJIQ-UHFFFAOYSA-N;130.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42583;MM42583;CC(C)C(O)(C=O)C=O;NXNOXDKYRGINFT-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42584;MM42584;CC(C)C(O)(C#N)C=O;NKLSOLJFQHMSHM-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42585;MM42585;CC(C)C(O)(C#N)C#N;KYVLBKWVQIAKAK-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42586;MM42586;C=C(F)C(=NNC)NC;AFCWOWPQDSLIPT-UHFFFAOYSA-N;131.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42587;MM42587;C=CC(O)(C#N)C(C)O;HPGNSUAEPZOWQK-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42588;MM42588;CC(O)C(O)(C#N)C#N;PDMNMVYVHSJAAW-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42589;MM42589;CC(F)C(O)(C#N)C=O;HLNBBTHWSANZGE-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42590;MM42590;CC(F)C(O)(C#N)C#N;PGDLDBXRIVIUOL-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42591;MM42591;CC(O)C(F)(C#N)C=O;XRUKBQRZDPGMPB-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42592;MM42592;CC(O)C(F)(C#N)C#N;NTRCKZUIQKOKKX-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42593;MM42593;CC=NNCC=NN(C)C;XQVGWKHPGHDFLF-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42594;MM42594;C=NN(C)C=NCCOC;JZEINEGPDMBHGX-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42595;MM42595;C=CC(=N)N(C=NC)N=C;RNEDQKUNVDRWMG-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42596;MM42596;C#CC(=O)ON=C(C)NN;IENJBOIUNJLZEY-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42597;MM42597;C#CC(O)(C=O)C(C)C;UIVOOKQQDMMRET-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42598;MM42598;C#CC(O)(C#N)C(C)C;FSJVXYWYLLRHJU-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42599;MM42599;C#CC(O)(C=C)C(C)O;YJFXYAKOGQXEKA-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15470;MM15470;C#CC(O)(C#N)C(F)F;MCLYUBSCRMAYKG-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42600;MM42600;C#CC(F)(C=O)C(C)O;NZLGZFIGINZXOQ-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42601;MM42601;C#CC(F)(C#N)C(C)O;MZJZCRLCCXWNLM-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42602;MM42602;C=CC(C=NNC)NN=C;IEUSCIZAACEQOA-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42603;MM42603;C=CC(=O)ON=C(C)NN;OGDKWZGQGQYBHE-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42604;MM42604;C=CC=NNCC=NNC;FUSDOMHLYQBMSQ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42605;MM42605;CC(=NOC=O)NN;UWJQLHJJXYKUPB-UHFFFAOYSA-N;117.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42606;MM42606;C=NNCC=NNC;BNOKRIRSXYTUGJ-UHFFFAOYSA-N;114.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42607;MM42607;CNC(=NC=NN)OC;CCFWLTZZDVJHED-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42608;MM42608;C=C(C)C(C)(CO)CO;AGHCNOTYMNUOFN-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42609;MM42609;CCC(C)(CO)C(C)=O;LRTRXZNAUVNWLO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42610;MM42610;CC=NN=C(C=O)N=CN;DLDUHKKXDSWDBC-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42611;MM42611;CCC(C)(CO)C(N)=O;PDMOIWRADNEFML-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42612;MM42612;CCC(C)(CF)C(N)=O;WPQMMWZIJYTPNY-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(fluoromethyl)-2-methylbutanoic Acid";MM01599;CCC(C)(CF)C(=O)O;HZYHGRMDEUMBQK-UHFFFAOYSA-N;134.15;1.46;118120133;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42613;MM42613;COC=NN=CN(C)C;HMWQABVBZMGCDT-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42614;MM42614;C=NNC(C)COCC;WEOHEQMYRPNIHQ-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42615;MM42615;C#CC(=N)N(CC)N=C;DMORYARLYHMOKW-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42616;MM42616;N=CN(C=N)C(=N)C=O;AVTUQWPUHUZXIE-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42617;MM42617;CC=C(C#N)C(=O)C(=N)N;IAGPXYLOTCMOLZ-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42618;MM42618;C=C(C)C(O)(CC)CO;RKSJKPMRQGHOOQ-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42619;MM42619;CCC(O)(CC)C(N)=O;YXBNKYRLAIBOIW-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42620;MM42620;C=C(F)C(O)(CC)CO;XXOWKMHBDHIMNI-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42621;MM42621;C=CC(CNN=C)=NN;NTRDHZKPOQXJRZ-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42622;MM42622;CC=NNC(C)(C)C=NN;PMLFNLZBLTWNCR-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42623;MM42623;C=C(C)CN(NC)C(C)=O;VAMBZMHYCYATHQ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42624;MM42624;C=C(N=C(CF)NN)OC;KIGRCLHFPCTVAO-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42625;MM42625;CCC=NNC(C)C=NN;FXFGMOOSQMJHQA-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42626;MM42626;CCC(O)CC(C)(F)CN;KQMYALOEGRFCQJ-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42627;MM42627;COC(C)(CO)C(N)=O;FBUZUJLXCHPYOC-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42628;MM42628;CCNN=C(C)CC=NN;AAZYLNDMRWQOQI-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42629;MM42629;C=COCCNC(=N)C#N;DZPQHZWIUHFTAL-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42630;MM42630;C#CC(C)N=C(CF)NN;OTIKTGXVXOIILY-UHFFFAOYSA-N;143.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42631;MM42631;CC(=O)C(=NO)N(C)C=N;HHDGQVHSDVJJIF-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42632;MM42632;COC(N=CNN)=NO;YCSGEKWROMKINR-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42633;MM42633;CCC(C)(C=O)C(N)=O;LXQUAVADCXSYFD-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42634;MM42634;CCC(C)(C#N)C(N)=O;UYTSIEFPLLPNDU-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42635;MM42635;C=CC(C)(CF)C(N)=O;BHVGSSLTPIZIBH-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42636;MM42636;C=CC(C)(CO)C(=O)O;JGZCYRIUEFQMIN-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42637;MM42637;C=CCN(C=O)NCCC;OXXYGNNHWFKEDT-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42638;MM42638;CCC=NNCC=NNC;FLJQNWBSDHXGBP-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42639;MM42639;C=C(C)C(O)(C=O)CC;ORNJZRNZMKGRAE-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42640;MM42640;C=NNC(=NN)NC(N)=O;YTRMYRZBEWUBAT-UHFFFAOYSA-N;144.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42641;MM42641;CC(=N)N(C=N)C(C)=NO;DXFBVDARWSSWFP-UHFFFAOYSA-N;142.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42642;MM42642;C=CC(O)(CC)C(N)=O;BQRUSDRGRFHPIU-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42643;MM42643;N#CC(O)(CO)C(N)=O;MYIFQBRJPGCNRW-UHFFFAOYSA-N;130.1;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethyl-2-hydroxybut-3-enoic Acid";MM03629;C=CC(O)(CC)C(=O)O;JTGQDLNOXUEFKS-UHFFFAOYSA-N;130.14;0.4;21690925;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42644;MM42644;N#CC(F)(CO)C(N)=O;DBAGKEIEPFUTFO-UHFFFAOYSA-N;132.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42645;MM42645;C#CC(C)NC(C)C#N;IJBURFLLBZSYDA-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42646;MM42646;C=NNCCOC(C)C;YODVJIPKRJWHCA-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42647;MM42647;C=NN(C=N)C(=N)NC=O;OVXRALSCMAZQBK-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42648;MM42648;COC(C)CC(=NO)NN;ZLHOQYYAHWYKEC-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42649;MM42649;C#CCC(C)C(=NO)NN;FNIMGGAVPWCADK-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42650;MM42650;COC(C)(C=O)C(C)=O;NDFNUZLWUNFNBE-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42651;MM42651;C=NNCC(C)OCC;JGJLFQNBIQTYNE-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42652;MM42652;NC=CC=NO;XDLKGJQEAWTABP-UHFFFAOYSA-N;86.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42653;MM42653;C=CC(C)(OC)C(N)=O;CYPIUXUWZSWTAS-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42654;MM42654;COC(C)(C#N)C(N)=O;ZHGJHBCWUCPBNP-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42655;MM42655;C#CC(C)(CO)C(C)=O;QRLDGAPPFNUGSJ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42656;MM42656;C#CC(C)(CF)C(N)=O;LYXIBEKQTBWIHM-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42657;MM42657;CNC(=O)CN=CN=CN;JSMRXDZIXJKKLA-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42658;MM42658;C=CCC(=O)CNCC;IMMWQSUNXFLAMP-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42659;MM42659;CC(O)CC(C)(F)CN;QHUJZZFSRRNQGF-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42660;MM42660;C#CC(O)(CF)C(C)=O;AOAZEHHILBILKT-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42661;MM42661;C#CC(O)(CO)C(N)=O;DAXBZDHUYAYUOY-UHFFFAOYSA-N;129.12;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42662;MM42662;C#CC(O)(CC)C(=O)O;RAISIVODIOAIKX-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42663;MM42663;CC(C=NN)C=NN(C)C;DVODJCBNHGCTAV-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42664;MM42664;C#CC(F)(CO)C(C)=O;ROYCTSHKUOKUFY-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42665;MM42665;CC=CNC(=NO)NOC;GFSROTOQOBHCED-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42666;MM42666;C#CC(F)(CO)C(N)=O;ZEZYVINMFFFURH-UHFFFAOYSA-N;131.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42667;MM42667;C#CC(F)(CF)C(N)=O;XHMWHVXTEPCRPF-UHFFFAOYSA-N;133.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42668;MM42668;C#CC(N)=CC=NOC=O;IXUCUGHAIOMBRN-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42669;MM42669;CC=NNCC=NNCC;RPFNBPZGIJSJTD-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42670;MM42670;C#CC(C)(OC)C(N)=O;VSMPZMLCOHQMBI-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16377;MM16377;C#CC(C)(OC)C(=O)O;KZSNHHCGVCVLBP-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42671;MM42671;CC(=O)C(C)(C#N)C#N;SSBBMWCWOGDTRO-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42672;MM42672;CNN=CNC(=NO)NN;XLGWWPFVXIQEIS-UHFFFAOYSA-N;146.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42673;MM42673;CC(C#N)(C#N)C(N)=O;BZWFSUYXCQYNSL-UHFFFAOYSA-N;123.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42674;MM42674;C=C(C)C(O)(C=O)C=O;DMNQLQGFNFOEDZ-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42675;MM42675;C=C(C)C(O)(C#N)C=O;MODUDMXPLACVEN-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42676;MM42676;C=C(C)C(O)(C#N)C#N;KBRVSXOVTCPNIF-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42677;MM42677;C=CC(O)(C=O)C(C)=O;HNIJAESMPFKIKN-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42678;MM42678;CC(=O)C(O)(C=O)C=O;HGEUKGDLKYFEMY-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42679;MM42679;N#CC(O)(C#N)C(=N)N;OEHSQUHEIIKVOU-UHFFFAOYSA-N;124.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42680;MM42680;C=CC(O)(C=O)C(N)=O;QCOHTDJWRLINJH-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42681;MM42681;N#CC(O)(C=O)C(N)=O;GTJCFDDMBIQLEB-UHFFFAOYSA-N;128.09;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42682;MM42682;C=NOCC;PONHABAUOQTKJA-UHFFFAOYSA-N;73.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42683;MM42683;C=C(C)CC(=O)CNCC;UTYDDYMFEQYXTJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42684;MM42684;CN(N)C=NC(=O)CO;ZSROARVCZVTVID-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42685;MM42685;C=CC(F)(C#N)C(N)=O;MKXHLECXAJZFIF-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42686;MM42686;N#CC(F)(C=O)C(N)=O;HPLOKHOXDNIPGV-UHFFFAOYSA-N;130.08;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42687;MM42687;N#CC(F)(C#N)C(N)=O;HFVYVHBFRZDFBO-UHFFFAOYSA-N;127.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42688;MM42688;C=NN1C(C)C1C;UQZABTQSMSZGEY-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42689;MM42689;C#CC(C#N)NC(=N)NC;BHJZFTOXBSKNBZ-UHFFFAOYSA-N;136.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42690;MM42690;C#CC(C)(C#N)C(N)=O;TZGKOGPLIAGSPA-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42691;MM42691;C#CCNC(C)(C)C#N;NSKDHPIHMPGTGP-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42692;MM42692;CC=CNC(=NOC)NO;GFSROTOQOBHCED-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42693;MM42693;C#CC(O)(C=O)C(=C)C;YLQZIILWLHPWGH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42694;MM42694;C#CC(O)(C#N)C(C)=O;OLBRWBRJRGHQRE-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42695;MM42695;C=CCN=CN(O)CC=O;PUUGZJLUUHMFSO-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42696;MM42696;C#CC(O)(C#N)C(N)=O;PEOANHKSKFOMPX-UHFFFAOYSA-N;124.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42697;MM42697;C#CC(O)(C=C)C(=O)O;UDEBGZRQVPERSZ-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42698;MM42698;C#CC(O)(C#N)C(=C)F;QMXJTKMZJRKQON-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42699;MM42699;C=C(C)N(C)C(=N)C#N;GEXIPJKWZRWHIN-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42700;MM42700;C=NNCCC(C)OC;KUROIBONAXJPQZ-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42701;MM42701;C=COC(C#N)C(=N)NO;IPETXFKXAIGTPV-UHFFFAOYSA-N;141.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42702;MM42702;C#CC(F)(C=C)C(N)=O;YVJWEPLMAOPGJR-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42703;MM42703;C#CC(F)(C=O)C(N)=O;PSSNRNLHZBDUJL-UHFFFAOYSA-N;129.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42704;MM42704;C#CC(F)(C#N)C(N)=O;GZQFPZLPPHPBRO-UHFFFAOYSA-N;126.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42705;MM42705;C#CC(C)(C#C)C(C)=O;XLNYVXITUMXZQS-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42706;MM42706;COCCNC(=N)C#N;VRSQJFHAPVWNPE-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42707;MM42707;C#CC(C)(C#C)C(N)=O;SIWQKPJGKYHDKB-UHFFFAOYSA-N;121.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42708;MM42708;CC(C#N)NCC=CF;NYTPCWCBWOLILK-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42709;MM42709;C=NN(C)CC=NNC;YWOBPSQHRDWDGH-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42710;MM42710;C#CC(O)(C#C)C(C)=O;QUKDUADSMWETPZ-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42711;MM42711;C#CC#CC(C=O)NC=N;XWABDPCOCPUCHT-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42712;MM42712;C#CC(O)(C#C)C(N)=O;BDVUDDAPMZLUNW-UHFFFAOYSA-N;123.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42713;MM42713;C#CC(O)(C#C)C(=O)O;PGDILBQKTJDNCR-UHFFFAOYSA-N;124.1;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15433;MM15433;C#CC(O)(C#C)C(=C)F;RSVXEFSAMXKYOD-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15290;MM15290;C#CC(F)(C#C)C(C)=O;SNLOZPUKALTLQO-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42714;MM42714;C=NN(C)C(C)C=NN;YPZJHZZLHFWGGR-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42715;MM42715;C#CC(F)(C#C)C(N)=O;SQKQPMDLESMPCY-UHFFFAOYSA-N;125.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42716;MM42716;CCC(C=NN)C=NN;XGFSWPRCMCWHIP-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42717;MM42717;C=NN(C)C(C)C(C)=NN;HOEUPDWYRJPCJK-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42718;MM42718;CNC(=NC=O)N(N)C=O;XNNYSJDRROOIMB-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42719;MM42719;CC(CF)CC(O)CO;VUQBATYGTZQHMO-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42720;MM42720;CCCNCC(=O)C=CN;BOMQEKZTSMAXEB-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42721;MM42721;CC(CO)CC(F)CO;BLZOWGYSVRJJAE-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42722;MM42722;C=COCC(=O)C(N)=NC;XNCUJTRWQOLXGA-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42723;MM42723;C#CCC=CNC(=N)C#N;KUZWZCISOCXINR-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42724;MM42724;C=CCN(NC)C(=O)C=C;MHBOFAVXKCLNPM-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42725;MM42725;C=CC(=O)CNCCC;VWTKODZOPWZFDE-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42726;MM42726;C=NN(CC)CC=NN;PEVZQQZHAHLFJE-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42727;MM42727;C#CC(N)=CC(=NN)NO;RTKXFNOQDARCRR-UHFFFAOYSA-N;140.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42728;MM42728;CCC(O)CC(F)CO;SCNBMEJOGCGENX-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42729;MM42729;CON=C(NN)NOC;QKOKHJSIGZKIOO-UHFFFAOYSA-N;134.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42730;MM42730;C#CCC(=O)N=CN(C)N;UCWQJAUTEGFQAB-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42731;MM42731;NN=CC(=NN)NCCO;UDQXQLXLKDESDS-UHFFFAOYSA-N;145.17;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42732;MM42732;C=NNCC(C)=NN(C)C;JDTFUNWDZCQFBQ-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42733;MM42733;CC=C(C)CNC(=N)C#N;KIVUPLOMPAVKKL-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42734;MM42734;CC(CO)OC(C)CO;VMKMZRBPOSNUMX-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42735;MM42735;COC(C)OC(C)CO;LANLALXFXLWYCO-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42736;MM42736;COC(C)OC(C)OC;DEBGMRXCXCOKTA-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42737;MM42737;C=NN(CC)CC(C)=NN;AFLQBOIORQPONL-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42738;MM42738;CON=CC(=CN)OC=O;DWWQCFYOPRVDSZ-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42739;MM42739;C=NN(C=N)C(C)=COC;GFVXXYAQLFXWNF-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42740;MM42740;C=NNC(C)(C)C=NN;BVMGULHBHCTDNC-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42741;MM42741;CN=CNN=CC(=O)C=O;KALPDJSUPFMJTD-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42742;MM42742;CC(CF)CC(O)C=O;CCCNTGCQUCQEOK-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42743;MM42743;CC(CF)CC(O)C#N;PCBOPLYJWHHALT-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42744;MM42744;CC(CO)CC(F)C=O;IIUSYGHBQZMDNG-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42745;MM42745;C=C(CF)NC(=N)C=O;FTKTUGINVZUEQW-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42746;MM42746;C=C(C)CNC(=N)C#N;VQYOTRHIXPHTKD-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42747;MM42747;C=NN(C)C(=N)C#CC;VODWFUAGXIUKSM-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42748;MM42748;CC(C=O)CC(O)CF;ADROAIVWRFTXSK-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42749;MM42749;CC(C#N)CC(O)CF;DXOKNNXAMPYKPY-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42750;MM42750;C#CC(F)(C#CC)C(=N)N;VSMHBFZNCDEKIA-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42751;MM42751;C=NNC(C)C(C)OCC;MHBKDQYUCQPZJQ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42752;MM42752;C=NNC(C)C(C)=NNC;FEYNZYXBVWNPMB-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42753;MM42753;C#CC=NN(C)C(=N)C#C;JXPJBQWJMUOUBE-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42754;MM42754;COC(C)CC(O)C#N;FYKWWXSDCHWSIU-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42755;MM42755;CON=CNC=C(C)OC;NGXDXTRDDVSIRP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42756;MM42756;CC(C#N)OC(C)CO;IAGAKGZCEXPPLX-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42757;MM42757;COC(C)OC(C)C=O;PYJZYILWYIYEDD-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42758;MM42758;COC(C)OC(C)C#N;RCSTUNKJGOWISN-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42759;MM42759;C=CC(CNN=C)=NNC;VCMSBOYWMPCNPR-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42760;MM42760;C#CC(F)C(=NC)NN;JRJNNSBGNHOJSV-UHFFFAOYSA-N;129.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42761;MM42761;CNN=C(OC)N(C)N;JEHVLKLJUWAPJR-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42762;MM42762;C#CCOC(=NN)N(C)N;XWRQZDBXLKLSIB-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42763;MM42763;C=NNCC(=NN)C(=C)C;CGKUYOULCAGCSB-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42764;MM42764;C=C(C)NC(=N)C#N;MARHBRPVHVGNIE-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42765;MM42765;C#CCC(N)=NCC(C)=O;ZDQXAJAXHCMGBQ-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42766;MM42766;NN=CCCC=NN;VGVURNDBVXSWDL-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42767;MM42767;C=C(C=O)NC=NNC;VKDBXOVNLBNUDP-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42768;MM42768;COC(C)CN(O)C=O;KUBXPFYIWCMTEH-UHFFFAOYSA-N;133.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42769;MM42769;C#CC=CNC(=N)C=O;VVOINKQLZQSQPF-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42770;MM42770;C#CC(C#N)(CC)NC;KAHJLBZFJJPFBK-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42771;MM42771;CC(CO)ON(C)C=O;PKYCZVMKQFRWLV-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42772;MM42772;CC(CF)ON(C)C=O;NXFWJOQMWUMFDG-UHFFFAOYSA-N;135.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42773;MM42773;C#CC(CC)NCC#N;GJTCKTOKPQVPTQ-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42774;MM42774;CC(C)C(=NOC=O)NN;HMDPWJJFCNFWSW-UHFFFAOYSA-N;145.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42775;MM42775;C=NNC(C)C(C)COC;JIMTWNQNXQKVJA-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42776;MM42776;C=NN(C)C(C)C=NNC;KDYYSPKOHUVHNB-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42777;MM42777;C=CN(C=NN)OC(C)C;KCIARUFHSJUOBA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42778;MM42778;C=CN(C=NN)OCCF;ATACTMRMRQGVGO-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42779;MM42779;C#CC(O)CC(C)CO;AZMRHRNOOBBNJF-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42780;MM42780;C#CC(O)CC(C)CF;WMBWYEOOHHVDAP-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42781;MM42781;COC=CCNC(=N)C#N;YBUZWLDUFZTPDX-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42782;MM42782;CNN=CC=NOC;MNZHNJHATAHXMJ-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42783;MM42783;C#CC(C)CC(O)CO;KOZFPYWRRACMPM-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42784;MM42784;C#CC(C)CC(O)CF;RREZQKSEJSMHGH-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42785;MM42785;C#CC(O)CC(O)CC;ISKUMSWHZAMFCR-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42786;MM42786;C#CC(F)CC(O)CF;CWARZVAGRUIDRL-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42787;MM42787;C=NNCC(CC)=NNC;AWDVWWDODUHKBP-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42788;MM42788;C=NOC(C)C;LTVQZFXROSOPDN-UHFFFAOYSA-N;87.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42789;MM42789;C#CC(O)CC(C)OC;YZMVAKLFRVBOTP-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42790;MM42790;C#CC(C)OC(C)CO;ONZKSKKJELKCCM-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42791;MM42791;CC(=O)N=CN(C)N;VMPICPLZDUQFJJ-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42792;MM42792;CC(C#N)CC(C)C#N;RISJWFYSMKOETR-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42793;MM42793;C=CC(C)CC(O)C=O;WXWZDODARQWPAR-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42794;MM42794;C=CC(O)CC(C)C=O;SUCXOYVSIHQCLU-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42795;MM42795;CC(C#N)CC(O)C#N;MFTBJVUGYJIBBM-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42796;MM42796;C#CC(F)(C#C)C(=N)N;WSRHWFILAZOTCW-UHFFFAOYSA-N;124.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42797;MM42797;C=CC(O)CC(O)C=C;PEPISENPCDEXJK-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42798;MM42798;N#CC(O)CC(O)C#N;QWHFDUPYPKNMIP-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42799;MM42799;C=NNCC(=C)C=NN;OSIRZIHBOLDIDJ-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42800;MM42800;CC(C=O)OC(C)C=O;LONRTEBTTCEAJF-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42801;MM42801;CC(C#N)OC(C)C=O;HANKDGJEGFYLSW-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42802;MM42802;CC(C#N)OC(C)C#N;XWROPIPQKNRYNS-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42803;MM42803;CN(N)C(=O)N(C)C=N;ULUYAHJBULNYIL-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42804;MM42804;C=NNC(C=NN)CC;MLFIUQNHYRLHDT-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42805;MM42805;C=NNCC=NNCC;BYTNLBIXRUDXDS-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42806;MM42806;CON=C(C)NC(C)C#N;AGJPVTUMCODGRO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42807;MM42807;C=CC(C)CNC=NNC;MHMIBLLZTZOZBQ-UHFFFAOYSA-N;141.22;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42808;MM42808;C#CCCNC=NN;DDGWHDOBXQYEHI-UHFFFAOYSA-N;111.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42809;MM42809;C=NOCC(C=NN)=NN;WWISXHVGMNNKIM-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42810;MM42810;CCNC(C#N)COC=O;NDDUKAMMENJGSB-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42811;MM42811;C=NN(CC)CC=NNC;MCGQTBYCZWSOIE-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42812;MM42812;CN=C(N)C(=O)C(=N)N;RFBBOBVXOKGAGH-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42813;MM42813;C=CC(F)CN(O)C=O;ZACPGAMQZATAEH-UHFFFAOYSA-N;133.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42814;MM42814;N#CC(F)CN(O)C=O;MHQMLKOSACZTCL-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42815;MM42815;C#CCNC=NOCC#C;ZCTKTFMNTCEQPZ-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42816;MM42816;C#CC(O)CC(C)C=O;MYGDQENQFRSLGX-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42817;MM42817;C#CC(O)CC(C)C#N;FCXSMPRVDYGFBO-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42818;MM42818;C#CC(C)CC(O)C=O;JNGBQWJIMWGOMD-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42819;MM42819;C#CC(F)CC(O)C#N;MJZILZUKBHAFCS-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42820;MM42820;C#CC(O)CC(F)C=C;MZXAXCGVHMUGLU-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42821;MM42821;N#CCCNCC(F)F;GTXBHURJXDXBMQ-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42822;MM42822;C=C(C)C(=NN)NC=N;QHDOKVMTDYAZKA-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42823;MM42823;C=NNC(C)(C)C=NNC;ZMTBSXHQWRXYRV-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42824;MM42824;CC(C)=CCNN=C(C)C;VBCMHGRXEKIZLE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42825;MM42825;CC=NNCCC(C)=NN;LLLQQCVWXFYFGA-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42826;MM42826;COCC(=O)ON=C(C)N;YHZPKECZHLUXAX-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42827;MM42827;C#CCCNC(C#N)C=C;FFUAIOCOCJZANW-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42828;MM42828;C#CC(O)CN(O)C=O;NMDJPJGGMZQGMR-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42829;MM42829;C=CNC(=NC=NC)OC;BJIFYURXDAKUAT-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42830;MM42830;C=CC=NOC;UZWKZJNMTZAZSW-UHFFFAOYSA-N;85.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42831;MM42831;C#CC(C)ON(C)C=O;NSKIRVWOYRIEFG-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42832;MM42832;C=NNC1CC1;UCHGSTRXBRMLBR-UHFFFAOYSA-N;84.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42833;MM42833;C=CC(=N)NC(=N)C=NN;OQYNBNNBFMSDCE-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42834;MM42834;C#CC(O)CC(O)C#C;FZACJEAGTTWPAG-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42835;MM42835;C=C(C)CNN=C(C)C;YORICCNQBUGGPX-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42836;MM42836;N=CN(C=O)C(=O)C(=N)N;QWUFPKQCNLZSNY-UHFFFAOYSA-N;142.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42837;MM42837;CCC(=O)CC(C)CO;QJDXZJKPHWBXIB-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42838;MM42838;CC(CO)CC(=O)CF;XCCJRVJVCKEOBJ-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42839;MM42839;CC(CF)CC(=O)CO;OCWDCPAXOSWUIL-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42840;MM42840;CON=C(C=C(F)F)NN;LKWHYBPBUHRQOY-UHFFFAOYSA-N;151.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42841;MM42841;CC(C)=CN=C(N)C=O;HQUBXOZZALLKAH-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42842;MM42842;CON=CN(C)NCC#N;APBSYGBYNHVPNZ-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42843;MM42843;CCC(=O)CC(F)CO;XLYKPTNWMNUTQM-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42844;MM42844;C#CC=CCNC(=N)C#N;XOLJSRFHYBUIRY-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42845;MM42845;C#CC(C#C)NC(=N)OC;ANLUBNYPUWSLEQ-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42846;MM42846;COCON=CNN;YOSQYBMRTBEXTO-UHFFFAOYSA-N;119.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42847;MM42847;CCOCON=CNN;OIJZPKBDQBEIDQ-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42848;MM42848;C#CCC(C#N)NCC=C;JCZPBPASVCURTN-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42849;MM42849;CCC(F)CC(=O)NC;PPPRDNQEQYSOEE-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42850;MM42850;CC=NOCON=CNN;GASDAUJIDDRWRY-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42851;MM42851;C=CN(C(=C)C)C(=N)C=O;QTKAWCBQLFFRDB-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42852;MM42852;CC(C=NN)CC=NN;MWYHRHBILXZUNV-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42853;MM42853;CCNN(C)C(=N)C#N;LJWVCGLJYSQORS-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42854;MM42854;CNC(C#N)C(C)=CF;ZUIQWYSCFMIZBS-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42855;MM42855;CC=NNCCC=NN;JLERTOXIBRSQSV-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42856;MM42856;CN=CNN(C)C(=N)C#N;WQNSJEMHBHFFGC-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42857;MM42857;CCC(C=O)NC;BUJMKGAQHPJMRF-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42858;MM42858;COC(C)CC(=O)CF;QKVUMPDVNSMBKI-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42859;MM42859;C=NNCC(=C)C=NNC;RMCLCEVGGQSNIY-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42860;MM42860;CON=CCC(=NO)NN;XAWYOGPTEPEHRN-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42861;MM42861;C#CC(=NC)NCC=NO;XBOJXGONVPDZSF-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42862;MM42862;CC(C)C(=NO)C(=N)NO;QAWBEJZMFKAGIJ-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42863;MM42863;CCC(C)NC(=O)CO;XRBGGRNJZPRCLF-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42864;MM42864;CC(C=O)=CCNCC#N;IHNOYXNAKFKLOB-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42865;MM42865;C=COC(=CC=NO)CN;ACVZMHICDNHTBM-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42866;MM42866;CCC(C)NC(=O)NO;OOXWFJZXCQABAZ-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42867;MM42867;C=CC(C)N(C=O)NCC;WEHFCKZIJNXSDS-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42868;MM42868;C=CC(=O)N(C=C)C(C)=N;ZBRYAMAUOYARSQ-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42869;MM42869;C=NOCCC;GUMCNMMKJUHYGF-UHFFFAOYSA-N;87.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42870;MM42870;C=C(CO)OC(C)CO;AGJXPLLHWXZZNI-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42871;MM42871;C=CCC(C)=NN;ZKGKYRYRGVZDHG-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42872;MM42872;CC=CC=NOC;ROEAZJPMXYJQLT-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42873;MM42873;C=C(C)N=C(N)C=O;UKPDVPFLDVWHBN-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42874;MM42874;C=CCNC(=N)C#N;YLFXZISCEMHKMI-UHFFFAOYSA-N;109.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42875;MM42875;CC(CF)OC(=O)CO;RHYHQJGQNNUZNT-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42876;MM42876;CC(N)=C(C=NO)CCF;ZHBFXILQZBMNDT-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42877;MM42877;CCC(F)CC(=NO)NN;SGKAQORWNJVOTK-UHFFFAOYSA-N;149.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42878;MM42878;CN(C)N=CCCC=NN;NYDGKKXYGFINNW-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42879;MM42879;C=CC#CC(=NOC)NC;FEMPGWBFLSHAEV-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42880;MM42880;CNN=C(NC=O)NOC;MGDBAVNZHUPYCA-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42881;MM42881;CC(N)=NOC(=O)C(C)O;LWVARGANLVZGOE-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42882;MM42882;CCC(C)OC(=O)NO;HVRFLGVTGCKVJL-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42883;MM42883;CNC(=O)OC(C)CF;JEUVAKHAEGLFED-UHFFFAOYSA-N;135.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42884;MM42884;CC=NNCCC=NNC;TVBDVLLBRDTKBO-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42885;MM42885;CNN=CCCC=NNC;YKQBSKJDKZIXTA-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42886;MM42886;C=C(CO)OC(C)OC;KOCIZSFXLBBDEP-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42887;MM42887;NC=C(F)C=NN;WMBQRGLHSXTSKN-UHFFFAOYSA-N;103.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42888;MM42888;C=CCC=NN(C)C;MOOVHOFNVZLNEZ-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42889;MM42889;C=NN(C)C(=N)C(C)O;NGXOWNVFRKRATM-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42890;MM42890;CNC(=O)OC(C)OC;IQTADDJOFGWURZ-UHFFFAOYSA-N;133.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42891;MM42891;C=CN(O)C(C)=NC=NN;ZYJMDWOSFYHYKT-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42892;MM42892;CC(=CC#N)N(C)C;KYOSCZDVPSXZMC-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42893;MM42893;N=C(CF)NO;QFQPUPLOEYEFJV-UHFFFAOYSA-N;92.07;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42894;MM42894;CON=CN(C)N(C)C;FQUYFALZSIDPHF-UHFFFAOYSA-N;131.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42895;MM42895;CCN(C)NC(=O)OC;GGJDXMRBWXUJKO-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42896;MM42896;CC(CO)CC(=O)C#N;SBJMRJLJOUDYHW-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42897;MM42897;C=CC(=O)CC(C)CF;PKGZGUBJPCIPQS-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42898;MM42898;C=NNC(C=NN)C(C)C;KULUSQHHGNSFFX-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42899;MM42899;C=C(C=O)CC(O)CC;LDGQLPBRTKWAFY-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42900;MM42900;C=CC(C)CNCC=NO;JGLAGBYPTINFGJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42901;MM42901;C=CC(=C)CC(O)CO;KZCOKESNFBAWSK-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42902;MM42902;C=C(C=O)CC(O)CF;STYJZRCQQBIBTK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42903;MM42903;C=C(C#N)CC(O)CF;KEEBJDVQIUBIFS-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42904;MM42904;CCC(O)CC(=O)C=O;NMZPCKZSNUOBSC-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42905;MM42905;CCC(O)CC(=O)C#N;AUOLLNZHLFVETI-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42906;MM42906;N#CC(=O)CC(O)CO;MGZWLCUJDUMFAY-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42907;MM42907;C=CC(=O)CC(O)CF;ZIDDMZKRAMXGQQ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42908;MM42908;C=C(C=O)CC(F)CO;MYTKESYUERQUJC-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42909;MM42909;C=CC(=O)CC(F)CC;JBAFLOTWVUULJI-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42910;MM42910;CCC(F)CC(=O)C=O;BYKKSEOOGRXRSZ-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42911;MM42911;C=NNCC=NNCCC;WSFFJWQKJIWAFO-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42912;MM42912;NN=CCCCC=NN;DQTMBZPNAKCPGB-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42913;MM42913;CC=NNCC(C)C=NN;KTACWIPXONXRIM-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42914;MM42914;C=NN(C)CCC(C)=NN;XOUJHLCHYWWNOQ-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42915;MM42915;N#CCC=C(F)C(=N)NO;OXKGDOAYGQESHM-UHFFFAOYSA-N;143.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42916;MM42916;CC(N)C#CC=NO;GVIIWOFENNKYQS-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42917;MM42917;C=NN(C=N)C=C(C)OC;WITUZVCHHNLLAT-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42918;MM42918;CC=NNCCNN=CC;LEDKEFJBHCVDMC-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42919;MM42919;C=C(C=O)OC(C)CO;OMMHVZIOLATJMO-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42920;MM42920;CC(CO)OC(=O)C#N;VSOLBKYLJNGIES-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42921;MM42921;CC(CF)OC(=O)C=O;MPKRPICVOZLVJU-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42922;MM42922;CC(CF)OC(=O)C#N;RBTTUUPTVUPRLY-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42923;MM42923;C=C(C=O)OC(C)OC;OONQZYQJQSVJBD-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42924;MM42924;COC(C)OC(=O)C=O;YAFSEHWXIIQFQZ-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42925;MM42925;COC(C)OC(=O)C#N;SGEHMPLELFSYKG-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42926;MM42926;CCNN=CCCC=NN;GGVXXTJSMMCHHM-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42927;MM42927;C#CC(=C)NC=NOC;BJWJZWTZTMETQG-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42928;MM42928;C=NNC(C)=NCC(C)O;AXNLYFAFNUGVOO-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42929;MM42929;CCN(C)NC(=O)C#N;PDFDLHMSYYGIPS-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42930;MM42930;CC(C)=NOC(=O)C(=N)N;FVUZQHNXCAWDDR-UHFFFAOYSA-N;143.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42931;MM42931;C=NNCCC(C)=NNC;SHYWTEXLCHBTMZ-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42932;MM42932;CC(C=O)NN=CN(C)O;WWHGVDYULXPORJ-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42933;MM42933;CC(CF)CN=C(N)C=O;GYPLCVLAKIWEKK-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42934;MM42934;CN(N)C=NC(=O)CF;PDFATPORTAWQPF-UHFFFAOYSA-N;133.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42935;MM42935;C#CC(=O)NC(C)CF;FNPCWDFFIHAIQB-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42936;MM42936;C#CC(=C)N(C)C=NOC;FLGHQNJIEPWTSF-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42937;MM42937;C#CC(=O)OC(C)CO;VIUCFNSYHSJCPB-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42938;MM42938;C#CC(=O)OC(C)OC;IVENLPCDOWYZFF-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42939;MM42939;C#CC(=O)NN(C)CC;ZNNHCUCMRWYBLV-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42940;MM42940;C=C(CO)CC(C)C=O;MUAMAVPOWGSHFG-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42941;MM42941;C=CC(C)CC(=O)CF;HYGHHWAYDCLZHR-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42942;MM42942;CC(C#N)CC(=O)CO;JQKBLQYIPQNDSJ-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42943;MM42943;C=CC=NOC(C)C;FLZMPODZCQEXOS-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42944;MM42944;C=CC(=NOC)NCC=O;XJVRPAZYECYTEA-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42945;MM42945;C=CC(O)CC(=C)CO;FDYXVAFSBXEMQF-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42946;MM42946;C=C(CO)CC(O)C#N;CSCGNKBKWUKJSB-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42947;MM42947;C=C(CF)CC(O)C=O;AEUPEXNXBLEAAN-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42948;MM42948;C=CC(O)CC(=O)CC;YADVMTLUZSHRRX-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42949;MM42949;C=C(CO)CC(F)C=O;GLJIOMXEQQWXGT-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42950;MM42950;C=CC(F)CC(=O)CO;PCRCCFIVXUEOER-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42951;MM42951;CCC(CC)=NNC;KOWWJEHTOYGQGK-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42952;MM42952;CC(F)C(=O)N=CN(C)N;CXNMODQNMNTGFZ-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42953;MM42953;C=CC(C)CC(=O)NO;NXFYXLYKRHOZOK-UHFFFAOYSA-N;129.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42954;MM42954;CNC(=O)CC(C)C=O;DFNVOLJMBSVYQL-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42955;MM42955;CC(C#N)CC(=O)NO;RHYMBQVAQUKEPI-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42956;MM42956;CN=CNN=CC(=O)C#N;QLVWWVMURKAZAL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42957;MM42957;C=CC(O)CC(=O)NC;BHIJDMNZSJGVOW-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42958;MM42958;C=CC=CCC=NN;DETPTHBDWMIOQE-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42959;MM42959;CC(C)=CC(CN)=NO;NLDQQLIUXJIFSR-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42960;MM42960;C=CC(F)CC(=O)NO;LOJMOBQRMJGJRY-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42961;MM42961;COC(=O)CC(C)C=O;MPHWBQQPAIUPAC-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42962;MM42962;CC=NOC(=O)C(=N)N;HOZAIJJWECUIDD-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42963;MM42963;C=C(CC(O)C#N)OC;XJBOBRNVWLFOGL-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42964;MM42964;C=CC(O)CC(=O)OC;UTCRVZVKKKHINJ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42965;MM42965;C=C(CF)CNCC#N;AWKBSMGWSINOSJ-UHFFFAOYSA-N;128.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42966;MM42966;CNC(C#N)C=COC;UUZQQFTYEWGDBJ-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42967;MM42967;C=NNCCC=NNC;MXGDCZVYVXILON-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42968;MM42968;CNC(C#N)CC(C)C=O;JCMJEGAMULKCSA-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42969;MM42969;COC=CCNCC#N;HCOFVMNYSBMYGI-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42970;MM42970;CNC(=O)NC(C)C#N;RKDBEWAKFQRJEZ-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42971;MM42971;CCC=NOC(=O)C(=N)N;UJSCGKHZZMMWMM-UHFFFAOYSA-N;143.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42972;MM42972;COC(=O)NC(C)C=O;MFFDTXZGBRTXOO-UHFFFAOYSA-N;131.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42973;MM42973;COC(=O)NC(C)C#N;KKGIPOMQEJOFPL-UHFFFAOYSA-N;128.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42974;MM42974;C=C(CO)OC(C)C#N;BKPFUBMVJAYXKF-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42975;MM42975;C=CN(N=C)C(=N)C=CF;CJKZQHPEYVIKAU-UHFFFAOYSA-N;141.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42976;MM42976;CC(C=O)OC(=O)CO;CERZFSMYUNLDSX-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42977;MM42977;CC(C#N)OC(=O)CO;ZCCOPPZJMAPRJQ-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42978;MM42978;CC=NNCCCC=NN;KZVCLIUVTRFHQV-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42979;MM42979;C=CC(CN)=NO;NPGOLWUTHDQLIR-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42980;MM42980;C=CNC(C=O)=NC;MMEXSUVZZOOSTP-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42981;MM42981;C#CC(=O)C=NNC=NC;WNQOZWKPMCIJRU-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42982;MM42982;C=CC(C)OC(=O)NO;JFLVUXXWNCYRMB-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42983;MM42983;CC(C#N)OC(=O)NO;XZUHSWYBVIAWNI-UHFFFAOYSA-N;130.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02497;MM02497;COC(=O)OC(C)C=O;JVSJIGANKHPDOZ-UHFFFAOYSA-N;132.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42984;MM42984;COC(=O)OC(C)C#N;ZFWRCJQVLWBBJZ-UHFFFAOYSA-N;129.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42985;MM42985;C=NNCCNN=C;XMUPKCYJWSWECN-UHFFFAOYSA-N;114.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42986;MM42986;CC(C)(C)NC(=N)C#N;BIZJQPNEYZPNAO-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42987;MM42987;CCCNN=C(C)CC;NGWVBRYGHLQFJF-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42988;MM42988;C=C(CF)CN(O)C=O;XFNIBROEIVWYJR-UHFFFAOYSA-N;133.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42989;MM42989;CC=NN(C=NC)C(C)=N;FOKXEELYPQUUJM-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42990;MM42990;CN=CNN=C(C)C=O;JWSCDGHACLIURS-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42991;MM42991;C=NN(C)CCC=NNC;QXFGNVPTUIJFHG-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42992;MM42992;C=C(CN(O)C=O)OC;AUGLRQATRBVAHF-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42993;MM42993;C#CCN(C=N)C(=N)C#N;VKLQBALLUBOJSE-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42994;MM42994;CNC(=O)NN(C)C=O;UYDKXTVPQOBFGP-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42995;MM42995;CNC(C#CCF)=NOC;LWXMTSPWLKUGCU-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42996;MM42996;C=NNC(C)CC=NN;JDGDTTKWGGKSNX-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42997;MM42997;C#CC(=O)N=CN(C)N;QVGPMXWBANMYFR-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42998;MM42998;CCOC(=NNC)N(C)N;GAKQYADSNBPJRC-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM42999;MM42999;CC(=N)NC=NN=CC#N;YTIFYHAWKRPVQA-UHFFFAOYSA-N;137.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43000;MM43000;CNC(=O)ON(C)C=O;ZKIYDKWHUOWPCU-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43001;MM43001;CN(C=O)OC(=O)NN;WFYINHNLROEGIF-UHFFFAOYSA-N;133.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43002;MM43002;CN(C=O)OC(=O)NO;ONXHZJOCNPYAAW-UHFFFAOYSA-N;134.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43003;MM43003;CNN(C(C)=O)C(C)C;HMVNUZNTVCQNFS-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43004;MM43004;COC(=O)ON(C)C=O;OZWJMVLUVPQMER-UHFFFAOYSA-N;133.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43005;MM43005;C=CC(C)CC(=O)C=O;DOMLRLQSDLTUBD-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43006;MM43006;C=CC(O)CC(=C)C#N;ATBZBHBLPFKWCB-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43007;MM43007;C=CC(=C)CC(O)C=O;XRVMLJAWJVUXCQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43008;MM43008;C=C(C#N)CC(O)C#N;IALYKVXEARRBPO-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43009;MM43009;C=CC(O)CC(=O)C=O;QQJMVKMNBSTZEP-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43010;MM43010;C=CC(O)CC(=O)C#N;XVNQXPNQFVHYOM-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43011;MM43011;N#CC(=O)CC(O)C=O;FJIGAYBYUXLSBM-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43012;MM43012;N#CC(=O)CC(O)C#N;BZYYXPUGAAAKGU-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15637;MM15637;C=C(C#N)CC(F)C=O;WCKDXYJTCCHAII-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43013;MM43013;C=C(C=O)CC(F)C#N;GTXKHNJFVGQUTF-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15653;MM15653;O=CC(=O)CC(F)C=O;ZSFYTZIHGLKPNU-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43014;MM43014;C=NN(C)CC(C)C=NN;DRCKTSSWGRSCOF-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43015;MM43015;CCNN=C(OC)N(C)N;BWKVDZBTEIMUGZ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43016;MM43016;CC(C#N)N=C(N)C=O;GYGZJLHEUXSWMS-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43017;MM43017;CON=C(N=CNN)OC;NCKNCTLLCZPHEQ-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43018;MM43018;C=CC(C)NC(=O)C=O;AQYGLVVEOXKZLP-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43019;MM43019;C=NN=C(N=CNN)OC;NWGRSFLIRCXRCA-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43020;MM43020;C=CC(=O)NC(C)C#N;AJVCFQNKOLPRRD-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43021;MM43021;CC(C=O)NC(=O)C#N;GYFQQJODJJZUPA-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43022;MM43022;CC(C#N)NC(=O)C#N;OVCNDAGGYCHDEL-UHFFFAOYSA-N;123.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43023;MM43023;C=C(C=O)OC(C)C=O;NVBFVTHWVYLXOL-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"1-oxopropan-2-yl 2-oxoacetate";MM02331;CC(C=O)OC(=O)C=O;JMCWRCYZXHZREV-UHFFFAOYSA-N;130.1;-0.68;129299934;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43024;MM43024;CC(C#N)OC(=O)C=O;DTVKSCKZDJGRMR-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43025;MM43025;CC(C#N)OC(=O)C#N;WIMYCIHXJUYBMM-UHFFFAOYSA-N;124.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43026;MM43026;CC(C)NN(C=O)C(C)C;CVUVAOWDNUJKKE-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43027;MM43027;CN(C)C(N)=C(F)C=NN;JZSNTXWPVSUXAO-UHFFFAOYSA-N;146.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43028;MM43028;COC=CN(C)C=NOC;NOVWVDQIBAQCAK-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43029;MM43029;C=C(C#N)CN(O)C=O;YBWPGGUEHJNESM-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43030;MM43030;C#CC(C#C)N(N)C=NN;ZZMNBPCTVZVEKN-UHFFFAOYSA-N;136.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43031;MM43031;CNC(=N)C=NN=CC#N;OKERQDHMWULEHP-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43032;MM43032;C=NN(C)CCNN=CC;ATWNBTLZCLZRAS-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43033;MM43033;C=NN(C)C(COC)=NC;YEIQOXTWVTZONP-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43034;MM43034;C=CC(=O)ON(C)C=O;IDHIPIOMGHMBAG-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43035;MM43035;CN(C=O)OC(=O)C=O;LVOWCWNQRRVGJA-UHFFFAOYSA-N;131.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43036;MM43036;C#CC(=C)CC(O)C#N;SXSPXNVVPJCGRF-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43037;MM43037;C#CC(=O)CC(O)C=C;QRZYXVBRFVVVGA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43038;MM43038;C#CC(=O)CC(O)C#N;VYZAKKLUVDNKLV-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15772;MM15772;C#CC(=O)CC(F)C=O;CLPXOMPVXJBQJZ-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43039;MM43039;C#CC(=NOCC)NC=C;FSKUEHPLNCJCEF-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43040;MM43040;C#CC(=O)NC(C)C=C;NLIIIZKLJKGTCX-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15692;MM15692;C#CC(=O)OC(C)C=O;FJKXPVXWRIWHAC-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43041;MM43041;C#CC(=O)OC(C)C#N;ACAAGUKVEVTHDL-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43042;MM43042;C#CC=NN(C=N)C(C)=N;HCSKYGYLNTUFOD-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43043;MM43043;CN=C(C#N)NC;SJBIMAKRAWYITB-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43044;MM43044;CCC(=NN)C(C)C;GHXKDZGDEZMGTC-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43045;MM43045;CNN(C=O)C(C)(C)C;BDJUGNUBCAOTRL-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43046;MM43046;CCOC(=NC=NN)NC;IHGLAFHIVSVFEF-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43047;MM43047;COC=CNC=NOC;LFRRGKOIZUIBID-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43048;MM43048;C#CCNC=NOCC;UWASOWDLDKEBCH-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43049;MM43049;C#CC(=NC)NOC=NN;DTOZJVFIPXYYHK-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43050;MM43050;C#CC(=O)NN(C)C=O;VWLTUHHQTSKDPU-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43051;MM43051;C=NN(C=N)C(=N)C(=C)C;MTLZGVVYLVBVCC-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43052;MM43052;C#CC(=O)ON(C)C=O;KEPOUJNFVQYIGC-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43053;MM43053;C#CC(C)CC(=O)CO;WVLZJFYEWWKUSL-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43054;MM43054;C=C(C#N)CC(C#N)NC;GWNLUOWPVBGXRW-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43055;MM43055;C#CC(O)CC(=C)CF;NNJMDMCGELOOID-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43056;MM43056;C#CC(O)CC(=O)CC;YNKIHCVDEJNMMJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43057;MM43057;CNC(C#N)C=C(C)OC;JTMIGSMRJUVMAD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43058;MM43058;CNC(=NC=NC=N)OC;BRFURKZSVWPEGV-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43059;MM43059;CC(=N)NC(=N)C(C)=NO;XOPJFGODOCYLGD-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43060;MM43060;C#CC(C)CC(=O)NO;SJFGIXBYVWXVAK-UHFFFAOYSA-N;127.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43061;MM43061;CNC(=N)C=NO;LTSTVSIJBWEGAQ-UHFFFAOYSA-N;101.11;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43062;MM43062;C#CC(O)CC(=O)NO;MKOVPXNMPVQEKZ-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43063;MM43063;C=NNCC(=C)CNN=C;WVGRNVMZLZJYIJ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43064;MM43064;C#CC(O)CC(=C)OC;IDBCHAOXFLEULY-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43065;MM43065;C=NNCC(C)C=NNC;IBHHGHOWUUVIOC-UHFFFAOYSA-N;142.21;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43066;MM43066;CC(C=CC=O)NCC#N;PCUGPAVCWAPQPE-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43067;MM43067;C#CC(C)NC(=O)NC;MZVBODZMQBQMGZ-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43068;MM43068;C=CC(CNN=C)NN=C;BCXRXHNYBSIEFI-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43069;MM43069;C#CC(C)NC(=O)OC;DRDHLMMDCYRVPS-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43070;MM43070;C#CC(C)OC(=O)CO;XZLRRMJWBLWLLI-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43071;MM43071;C#CC(C)OC(=O)OC;YJKZFCWYRWPDRB-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43072;MM43072;C#CC(O)CC(=C)C=O;URUWSMZMZAAGPY-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43073;MM43073;C#CC(O)CC(=C)C#N;HUSNRXKAHIHOFA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43074;MM43074;C#CC(O)CC(=O)C=C;IGJPWRYYPVNPAE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43075;MM43075;C#CC(F)CC(=O)C=O;WIZAPOUULGPMPZ-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43076;MM43076;C=NN=C(C)N(C=N)OC;NKMALKJSSNJCLN-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43077;MM43077;C=NN=C(C#N)C(=N)N;NLQUPTMNXOZETQ-UHFFFAOYSA-N;123.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43078;MM43078;C#CC(C)NC(=O)C#N;ASQWEHNJTUJDEW-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43079;MM43079;C=CCC=NNC;WTYFVMKWKYCNJS-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43080;MM43080;C=C(CO)CC(=C)CO;WSSGUJDEEDPWRR-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43081;MM43081;C=C(CC)CC(=O)NO;WLOYKZDFERLYQX-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43082;MM43082;C=C(CO)CC(=O)NC;HCRIEIMVFUHFBZ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43083;MM43083;CCC(=O)CC(=O)NC;MVSOWXXEUXWZBW-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43084;MM43084;C=NNCCN(C)N=C;DYAWDMYIQDFQRI-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43085;MM43085;C=C(CO)CC(=O)OC;RMSDHVXJUPXQDN-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 3-oxopentanoate";MM02400;CCC(=O)CC(=O)OC;XJMIXEAZMCTAGH-UHFFFAOYSA-N;130.14;0.53;121699;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43086;MM43086;CC(C=O)=NN=CN(C)C;DROBRPWOACQHQD-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43087;MM43087;C#CCC(=NOCC)NN;DHWSOBGHHBHUTP-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43088;MM43088;C=NNC(C)CC=NNC;URTXPAQRGICMRN-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43089;MM43089;N=C(N)C(=NO)NC=O;MHEIXDFEOGZFHD-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43090;MM43090;CNC(=N)C(=NO)NO;ODFMNXAVLOMEKP-UHFFFAOYSA-N;132.12;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43091;MM43091;C=C(C(C)F)C(C#N)NC;CQCPZUCREQIWFJ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43092;MM43092;CCC(=N)NC(=O)CF;VUFUSZHHWUPGCF-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43093;MM43093;CCC(=O)NC(=N)CF;IUEYHNKUNYLNNQ-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43094;MM43094;N=C(CF)NC(=O)CF;PTUGEFVPGDIIPK-UHFFFAOYSA-N;136.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43095;MM43095;C#CCC(=NOC)NN;WTDICOJXRMDBCT-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43096;MM43096;C#CC(C=O)(CF)N(C)C;RPUUXOVMFSVHFC-UHFFFAOYSA-N;143.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43097;MM43097;C=C(CC)NC(=O)NC;CDBKUUVJPUOCCZ-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43098;MM43098;COC(C)ON=CNN;BDKGUUFWLGUEMJ-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43099;MM43099;C=C(CC)NC(=O)NO;NYAPJPRKDGTLIB-UHFFFAOYSA-N;130.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43100;MM43100;COC(C)(C)ON=CNN;UZLNZMBBHCUYIH-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43101;MM43101;C=COC(C)ON=CNN;KIPWTVDFYYAAID-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43102;MM43102;CONC(=NC=N)NC=N;JQNFMEDYSAGZRA-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43103;MM43103;CNC(=O)NC(=N)CO;GRKVYTSWWBLLBA-UHFFFAOYSA-N;131.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43104;MM43104;N=C(CO)NC(=O)NN;CTJYRSKKQGUZGR-UHFFFAOYSA-N;132.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43105;MM43105;N=C(CO)NC(=O)NO;RJAIWOALPUJINK-UHFFFAOYSA-N;133.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43106;MM43106;C#CC(NC)C(O)C=CF;KPJWXFOZAJGJJX-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43107;MM43107;CCC(=O)NC(=O)NC;XPELLYOBINQQBV-UHFFFAOYSA-N;130.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43108;MM43108;C#CCC(C)(O)C(N)C#C;LWGJMEMXXNWVQK-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43109;MM43109;C=NN(C)C=NCCC#N;ZMLHXZPSVHUPQS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43110;MM43110;C#CC(C)N(C=N)OC=O;MQISNSHUPYNKHO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43111;MM43111;CC(O)C#CC(F)C(C)N;KXPBPAWWDLGMKV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43112;MM43112;CCC(OC)ON=CNN;DJJZXXLEEBEMNW-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43113;MM43113;CCC(=O)NC(=O)OC;ZKFMCOCCSBYKDU-UHFFFAOYSA-N;131.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43114;MM43114;C=NNCCNN=CCC;IICPCSJDEFKDGP-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43115;MM43115;CNC(C)C(C)(F)CO;DHMSTEWQJNYTDE-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43116;MM43116;C=CNC(=O)C(C)(N)CC;ZBOQXEJVZFSLCR-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43117;MM43117;C#CCC(C)(O)C(N)CF;SOQLVUGXZZJIOJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43118;MM43118;COC(CF)ON=CNN;RQAYVTGOMZTXFI-UHFFFAOYSA-N;151.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43119;MM43119;C=CC(OC)ON=CNN;AJFGEHMEDLAVDV-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43120;MM43120;CN(C=N)C(C)(C#N)CO;RVKBRGVLEVKPRC-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43121;MM43121;CN(O)C(=NC=N)NC=O;FEPZDLUYIUNZPV-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43122;MM43122;CC(N)C(F)C#CCO;SRZQPYDBTOEGAE-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43123;MM43123;C=C(C)N(O)C=N;XZLZPDTZFQPYDR-UHFFFAOYSA-N;100.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43124;MM43124;CNC(=O)NC(=O)NC;BEVVHEBDWYSLRT-UHFFFAOYSA-N;131.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43125;MM43125;CNC(=O)NC(=O)NN;HRXVNSYEFJKPND-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43126;MM43126;O=C(NO)NC(=O)NO;DBRKCWUYZZEWBW-UHFFFAOYSA-N;135.08;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43127;MM43127;C=C(NC(=O)NC)OC;WLWFPOAKHULWMX-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43128;MM43128;C=C(NC(=O)NO)OC;OMEXDIQFHGZEGI-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43129;MM43129;CNC(=O)NC(=O)OC;NTHHMWDGZJHHCY-UHFFFAOYSA-N;132.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43130;MM43130;CON=CNCC#CC=O;YICKHHSBAXGJKF-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43131;MM43131;C=C(NC(=O)OC)OC;BTDJTBRCKJIGKD-UHFFFAOYSA-N;131.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43132;MM43132;COC(=O)NC(=O)OC;UYXGDZUDCPCVLN-UHFFFAOYSA-N;133.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43133;MM43133;C=C(CO)OC(=C)CO;SYFKVGNYJIIPAB-UHFFFAOYSA-N;130.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43134;MM43134;CCCNN=C(C)C;BBXDSCHJVVIYFF-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43135;MM43135;C=CC(CC)=NNC;RIEGTSBAYXLRAY-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43136;MM43136;CC(F)C#CC(C)(N)CO;FRRLDZUZJFTXDG-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43137;MM43137;C=NNC(=NC=N)NCC;NOVBLAQJKGNMKS-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43138;MM43138;CCN=CN(N)C(C)=NO;UFUDMNFNUIVEJS-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43139;MM43139;CC(C)ONC(=N)NO;ZUXCFYXCXSJAOO-UHFFFAOYSA-N;133.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43140;MM43140;CC(=NCC(C)C#N)NO;ZVSYUUNXKZTHJH-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43141;MM43141;C=CCNN=CCC;POQUCILEWSEAQS-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43142;MM43142;C=C(CO)OC(=O)OC;XKXLTFXJTDLLOL-UHFFFAOYSA-N;132.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43143;MM43143;COCCN(C)CC#N;FVEWFDLBHKDJOP-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43144;MM43144;C#CC(=NOC)NC=C;OTAZNWLDPKREAE-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43145;MM43145;C#CC(N)=CC(=N)NO;JNXWDKYEULKKKF-UHFFFAOYSA-N;125.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43146;MM43146;C=NN(C=NC)C(C)=N;GYTRVRFUSIWDMU-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43147;MM43147;C#CC(N)=C(C)C(=N)NO;BYBGWLNTKSSZDL-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43148;MM43148;C#CC(=CC)C(=NO)NN;MDBJQCLIZOIZBQ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43149;MM43149;C=CNC(=N)C(=O)NN=C;RDLORBCVBHAAEC-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43150;MM43150;N#CC(C#N)C(=N)NC=N;FKKCDJIJYSPURZ-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43151;MM43151;C#CC(C)(N)C(=O)NC=O;FGSWXPCICUDZPV-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43152;MM43152;C#CC(=C)NC=NCCO;YFHXMQUTJICQKJ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43153;MM43153;C=CC(=NO)N(N)C=C;NYZZKFKQAQUSIR-UHFFFAOYSA-N;127.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43154;MM43154;N=C(NO)OC(=O)NO;TUMXKVCPSBJKPN-UHFFFAOYSA-N;135.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43155;MM43155;CC(N)=C(F)C=NN(C)C;GPKUECDDRVPWBT-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43156;MM43156;CCONC(=NO)NN;ZNXVFBWWXNJBIO-UHFFFAOYSA-N;134.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43157;MM43157;COCC(=N)NN=CC#N;XNZXRBSJXHWPET-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43158;MM43158;C=C(C=O)CC(=C)CO;VSOKYXGSEKLYMG-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43159;MM43159;C=C(C#N)CC(=C)CO;OCTXGYVCQWVKJC-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43160;MM43160;C=CC(=O)CC(=C)CO;CEJQGINJZKYRKQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43161;MM43161;C=C(CO)CC(=O)C=O;RLBGBDJYLGNVSY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43162;MM43162;C=C(CO)CC(=O)C#N;JPEOWNJWEVMVRL-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43163;MM43163;C=CC(=C)CC(=O)CO;IVCDYBLYPZVIPC-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15791;MM15791;C=C(C=O)CC(=O)CF;TUCGALMYCUVSQP-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43164;MM43164;N#CC(=O)CC(=O)CO;PAYVXGUVCZNTCN-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15526;MM15526;O=CC(=O)CC(=O)CF;WBNULFLLDAIYEU-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15518;MM15518;N#CC(=O)CC(=O)CF;VVIOOZRYKDDPAZ-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43165;MM43165;C=C(CC)NC(=NO)NO;IGIOOGXBHDTPLB-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43166;MM43166;C=C(C#N)CC(=O)NC;IIUPEZKVXAKZDM-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43167;MM43167;C=CC(=C)CC(=O)NO;ZUWVTNKPBUKQFH-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43168;MM43168;C=CC(=O)CC(=O)NC;NXCWQLCHTRPOFM-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43169;MM43169;N#CC(=O)CC(=O)NO;RJOWIHRAYKQSSJ-UHFFFAOYSA-N;128.09;-1.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 3-oxopent-4-enoate";MM02513;C=CC(=O)CC(=O)OC;ZQUPQDCVMAQIKI-UHFFFAOYSA-N;128.13;0.3;11126272;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43170;MM43170;COC(=O)CC(=O)C#N;SHSLHEVORUTVIH-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43171;MM43171;C=NNC(=NN)NC=N;SWOSPGXKFFBQNV-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43172;MM43172;CC(C)NN(C)C(=N)C#N;NYEWQWQITRVRAV-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43173;MM43173;C=C(CO)NC(=O)C#N;JOGHYYOJQVUSEH-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43174;MM43174;C=C(CF)NC(=O)C=O;LHHVBAMNHPCCSR-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43175;MM43175;C=C(CF)NC(=O)C#N;QAUZOYBDGAZTDK-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43176;MM43176;C=NNC(C)C(C)C=NN;AWZYQWQUQIJYPL-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43177;MM43177;CNC(C)(C#N)C=CC=O;CUWRXQQNGLFLPW-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43178;MM43178;C#CC(=NC=O)N(N)C=C;XHIQEDSQQRGFJD-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43179;MM43179;C=CN(N=C)C(=N)CO;WMHLWIWEUZCCSX-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43180;MM43180;CCN(C=O)OC(=N)NO;UNJJVUOTTUYGAE-UHFFFAOYSA-N;147.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43181;MM43181;CCN=C(C=NNC)NO;MUUQNLRHPIBSCD-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43182;MM43182;C#CC=C(C#CCN)CO;KPVOZWLHWHRYRJ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43183;MM43183;CCCNC(C#N)CCO;OJTITOCKFWGCBO-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43184;MM43184;CCCOC(=N)NCCO;LNEWGSCTLUSITM-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43185;MM43185;N#CC(=O)NC(=N)CO;SLROLCXULKUFDS-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43186;MM43186;N#CC(=O)NC(=N)CF;FDFPGHDJNOAEHR-UHFFFAOYSA-N;129.09;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43187;MM43187;C=C(C=O)NC(=O)CC;BYALORDIRKKGQV-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43188;MM43188;C=C(C=O)NC(=O)CF;FPBLLGVHJQBJJH-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43189;MM43189;C=C(C#N)NC(=O)CF;QUBRUYAZFRLDBU-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43190;MM43190;N=C(C=O)NC(=O)CF;VLIPJHYKOBBCEF-UHFFFAOYSA-N;132.09;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43191;MM43191;N#CC(=N)NC(=O)CF;FVUVSQFIIIIACX-UHFFFAOYSA-N;129.09;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43192;MM43192;CCC(=O)NC(=O)C=O;XYRJWWGAEKTZNW-UHFFFAOYSA-N;129.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43193;MM43193;CCC(=O)NC(=O)C#N;RBEBYAHNDBQPDH-UHFFFAOYSA-N;126.12;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43194;MM43194;N#CC(=O)NC(=O)CO;DUHZQSRQZMRNGT-UHFFFAOYSA-N;128.09;-1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43195;MM43195;N#CC(=O)NC(=O)CF;LTXCLSBGZHLRRP-UHFFFAOYSA-N;130.08;-0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43196;MM43196;C=NNCCCC=NNC;FWMVBLZUYOPTMP-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43197;MM43197;CC=NNC(=NN)NC=N;RHBIJLDKOQQGLC-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43198;MM43198;CCC(C#N)NCCCO;YJIYDMOJDSMXFM-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43199;MM43199;COC(=NN)NN;SDEBJBKLKCNFRR-UHFFFAOYSA-N;104.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43200;MM43200;CN(C=NN)C=NC=NN;PWOJALWKVJXCIN-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43201;MM43201;CON=CNCC#CCF;MXVZLAUGMCFPRW-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43202;MM43202;CCN(N)C(C=NN)=NN;DCHBDPVUKDLDRO-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43203;MM43203;C=C(C=O)NC(=O)NC;DTZSASBSMFHIGC-UHFFFAOYSA-N;128.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43204;MM43204;C=C(C#N)NC(=O)NC;XRZYXCYQCDSXPB-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43205;MM43205;C=CC(=C)NC(=O)NO;SALANCOUEGYFKO-UHFFFAOYSA-N;128.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43206;MM43206;C=C(C#N)NC(=O)NO;MISMIDKXWQCUJG-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43207;MM43207;CNC(=O)NC(=N)C#N;NDFUTNYKFJIZQX-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43208;MM43208;N#CC(=N)NC(=O)NO;KHNJALRTYKNTGA-UHFFFAOYSA-N;128.09;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43209;MM43209;C=CC(=O)NC(=O)NC;UCYGHRXBZDCUHH-UHFFFAOYSA-N;128.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43210;MM43210;CNC(=O)NC(=O)C#N;BGNPETZCJGAALV-UHFFFAOYSA-N;127.1;-1.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43211;MM43211;N#CC(=O)NC(=O)NO;ORWXAVSLXYLBBD-UHFFFAOYSA-N;129.08;-1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43212;MM43212;CC=C(C)C(C)=NN;XXXHKDHFBKQYAY-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43213;MM43213;C=CC=NNCC=C;HDAPOJAGOUPAON-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43214;MM43214;C=C(NC(=O)C=O)OC;VSGKUPZFUIAOBV-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43215;MM43215;C=C(NC(=O)C#N)OC;YYKWUKPECPZNFX-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43216;MM43216;C#CCNC=NOC;JNSNOFRCKKJGHI-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43217;MM43217;N#CC#CC(=O)C(=N)N;NJQHAOXUCPLTQE-UHFFFAOYSA-N;121.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43218;MM43218;C#CC(=NN)N(C=N)C=N;MPMLERASFRYLCU-UHFFFAOYSA-N;137.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43219;MM43219;CC(F)C(=NN)N(C)C;XGLQDWDYTSMRAE-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43220;MM43220;COC(=N)NC(=O)C#N;VAQSRDZQASISTD-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43221;MM43221;C=C(C#N)NC(=O)OC;IQCBSZOXJLLQTG-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43222;MM43222;COC(=O)NC(=N)C#N;RDPABVMIHHXKCB-UHFFFAOYSA-N;127.1;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43223;MM43223;C=CC(=O)NC(=O)OC;JQJDKXIEQZXJPA-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43224;MM43224;COC(=O)NC(=O)C#N;GIATXEYUZIZSHI-UHFFFAOYSA-N;128.09;-0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43225;MM43225;C=C(C#N)OC(=C)CO;WPBFTAGFCCDQRX-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43226;MM43226;CCN(NC)C(=N)C#N;SLYGOIUFSMUOOK-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43227;MM43227;C=C(CO)OC(=O)C#N;FDLXZZWGCRLNJD-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43228;MM43228;C#CC(=N)N(CC#N)OC;DSWNBZZWBSXDFZ-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43229;MM43229;C=NNC(CC)CC=NN;XBGWESABMICCET-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43230;MM43230;C#CC(NCC#N)C(C)C;KCQBYUKJWVUNHQ-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43231;MM43231;COC(C=O)=NNC(=N)N;YXCFVVAMCVDGBV-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43232;MM43232;C#CC(=O)C(=N)N(C)C;SSLMZFNLGKFVII-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43233;MM43233;C=C(C=O)OC(=O)OC;YQCDQTUBUKNMPH-UHFFFAOYSA-N;130.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43234;MM43234;C#CC(=O)CC(=C)CO;NKTOOEPHGJRMGA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43235;MM43235;C#CC(=C)CC(=O)CO;FXKMCLTWASNPPZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43236;MM43236;C#CC(=O)CC(=O)OC;SNQNBKFYUUETRU-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43237;MM43237;C=NNCCCNN=CC;GXVUWYLLSLBRDR-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43238;MM43238;CNN=CN=C(NC)OC;JBRPODATNCAJAC-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43239;MM43239;CNC=NC(C#N)=NOC;DZYXTZCFLYMURV-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43240;MM43240;C#CC(=O)NC(=N)CO;MPNQXSLMEOKZRY-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43241;MM43241;C#CC(=C)NC(=O)CF;MKPYOAPTTNWNNA-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43242;MM43242;C#CC(=N)NC(=O)CC;GEUORAOBWQBAFH-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43243;MM43243;C#CC(=O)NC(=O)CF;DQXPXMBENSOECX-UHFFFAOYSA-N;129.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43244;MM43244;C=NNCC(C)NN=C;YFDGUIDSPRBWIR-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43245;MM43245;CC(C=C(N)N)=NOC=O;GBMHZZIBUAIACK-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43246;MM43246;CC(F)=C(CC=O)N=CN;NDIYVQDEUDAGLM-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43247;MM43247;CNCC(F)CC=O;XGUZVYTYKRVBQW-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43248;MM43248;CCCC(C)(N)C(=O)NC;BBMOGDZGJBXWQM-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43249;MM43249;CCCNC(=NC=O)NN;XTUKZRRXOPTHGS-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43250;MM43250;C#CC(=C)NC(=O)NC;KDQHEFQCXLEXLA-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43251;MM43251;COCC(=NOC)NN;RHEDTWCMGNXTKY-UHFFFAOYSA-N;133.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43252;MM43252;C=CCCC(C)(N)C(N)=O;RGROGYNYYQTBIR-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43253;MM43253;C#CC(=N)NC(=O)NN;WDJSKNMOLNFRDT-UHFFFAOYSA-N;126.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43254;MM43254;C#CC(=N)NC(=O)NO;GAVHKXISJAKPAZ-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43255;MM43255;C#CC(=O)NC(=O)NC;NMHSIAUXKWCUCB-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43256;MM43256;C#CC(=O)NC(=O)NN;OYEOVRMAIKYJGC-UHFFFAOYSA-N;127.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43257;MM43257;C#CC(=O)NC(=O)NO;MUXDMRLCOAOWBH-UHFFFAOYSA-N;128.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43258;MM43258;C#CC(=O)NC(=C)OC;MIKWZPWEAQLAPZ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43259;MM43259;C#CC(=O)NC(=N)OC;VDYTVJJQACKYKN-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43260;MM43260;C#CC(=C)NC(=O)OC;OXWZWNBCNVSZJG-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43261;MM43261;C#CC(=N)NC(=O)OC;NXSQPUWFYITBOZ-UHFFFAOYSA-N;126.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43262;MM43262;C#CC(=C)OC(=C)CO;RFRWCNVGZOWMIY-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43263;MM43263;C=CC(=O)N(NC)C(C)C;MTEZQCQGPLOSBU-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43264;MM43264;C#CC(=O)OC(=C)CO;XLDPPWDLEZLGGX-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43265;MM43265;C=CC(C)=NNC;KUXRWGHSBGKSIL-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43266;MM43266;C#CC(=C)OC(=O)CO;SECIMSYDPPXPJQ-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43267;MM43267;C=C(C)C(C)=NN;ZDNJETHUMCSBIG-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43268;MM43268;C#CC(C)C(=NOC)NN;BUWHYPDRDRSNIT-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43269;MM43269;C#CC(=O)NN=CN(C)N;YOSXEEHKBYPJIB-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02200;MM02200;C=CC(=C)CC(=O)C=O;HCAFXNWUMBEBGJ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15592;MM15592;C=C(C#N)CC(=O)C=O;CJSMHSNUZZZGAE-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15566;MM15566;C=C(C#N)CC(=O)C#N;PQJBJNDHRXECCK-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-1,6-diene-3,5-dione;MM02865;C=CC(=O)CC(=O)C=C;VEKIZRLWPXYFMW-UHFFFAOYSA-N;124.14;0.89;544203;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,4-dioxopentanedial;MM02035;O=CC(=O)CC(=O)C=O;KUJUZIXUQKRHJJ-UHFFFAOYSA-N;128.08;-1.09;20591840;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15511;MM15511;N#CC(=O)CC(=O)C=O;BHMIIYGMKXTONU-UHFFFAOYSA-N;125.08;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Propanedioyl Dicyanide";MM02023;N#CC(=O)CC(=O)C#N;AHSCZLICKVJCOX-UHFFFAOYSA-N;122.08;-0.44;54169143;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43270;MM43270;CC(C)C=NN(C)C;WQDBBOLZIXTESN-UHFFFAOYSA-N;114.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43271;MM43271;C#CC#CC(=NO)N(C)N;OJLZMIPDFSIOCC-UHFFFAOYSA-N;137.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43272;MM43272;CNNC(=NNC=O)NO;GRUXXXDOPKSZGC-UHFFFAOYSA-N;147.14;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43273;MM43273;CC(C)CC(C)(N)C(N)=O;FTJJDCJLMLWWPS-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43274;MM43274;C#CC(C)C(=NO)NN;AAVZUTMZUDSDPT-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43275;MM43275;C=CC(=O)NC(=C)C=O;SSGUMBPOZYHKKU-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43276;MM43276;C=C(C=O)NC(=O)C#N;FGEQKNOJLSQYTP-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43277;MM43277;C=C(C#N)NC(=O)C=O;VZFQJUMKQIPZRQ-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43278;MM43278;C=C(C#N)NC(=O)C#N;DOCKNCUKGXHGLJ-UHFFFAOYSA-N;121.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43279;MM43279;C=NNC(=NN)N(C)CC;CPQUYLSIXNFHTA-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43280;MM43280;C=NNC(=NN)N(C)C;RDYBJBKUVCUNAQ-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43281;MM43281;N#CC(=O)NC(=N)C=O;OQAGDVSCUVICBN-UHFFFAOYSA-N;125.09;-1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43282;MM43282;N#CC(=N)NC(=O)C=O;QEJWVEODFSAINV-UHFFFAOYSA-N;125.09;-1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43283;MM43283;N#CC(=N)NC(=O)C#N;VZDXEQKNXRCXGQ-UHFFFAOYSA-N;122.09;-0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43284;MM43284;C=CC(=O)NC(=O)C=C;CHDKQNHKDMEASZ-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43285;MM43285;C=CC(=O)NC(=O)C#N;TYNSJWRTGPLULS-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43286;MM43286;N#CC(=O)NC(=O)C=O;XBKWRHFNVLRHQS-UHFFFAOYSA-N;126.07;-1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43287;MM43287;N#CC(=O)NC(=O)C#N;SRDWXCQRWZJNEP-UHFFFAOYSA-N;123.07;-1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43288;MM43288;C=C(C=O)OC(=C)C=O;KSKFIIMTBRZXSC-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43289;MM43289;C=C(C=O)OC(=O)C=O;RIJRHZPBBKEZDC-UHFFFAOYSA-N;128.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43290;MM43290;C=C(C=O)OC(=O)C#N;FEEOGNCAPMSENL-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43291;MM43291;C=C(C#N)OC(=O)C=O;CHIDQEZIWGUIAT-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43292;MM43292;C=C(C#N)OC(=O)C#N;IDOWETHANWHVKV-UHFFFAOYSA-N;122.08;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43293;MM43293;C#CC(=O)CC(=O)C=O;PVSJNKDTIWNCFJ-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15517;MM15517;C#CC(=O)CC(=O)C#N;QDJXKUYZINBZCS-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43294;MM43294;CC=CN=C(N)C=O;UVWQSZLCCQUFAE-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43295;MM43295;CN(C)C=NN=CC=O;RLHOJHVEVBTKHV-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43296;MM43296;C#CC(=O)NC(=C)C=O;DLXDCYJUHDIFDC-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43297;MM43297;COCC(C#N)N(C)C;LRTGEWYZBXRJIM-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43298;MM43298;C=NNCCCNN=C;CYJHGFDWHYAGAW-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43299;MM43299;CNC(=O)NN=CN(C)N;WORQFUZFVVMJFO-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43300;MM43300;C#CC(=O)NC(=N)C#N;FWDIWSHLCCSWFU-UHFFFAOYSA-N;121.1;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43301;MM43301;C#CC(=C)NC(=O)C=O;KXKRLWKIBYTFJR-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43302;MM43302;C#CC(=C)NC(=O)C#N;DRURREFTHGXDQW-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43303;MM43303;C#CC(=N)NC(=O)C#N;UFZSMUFZMHLQBW-UHFFFAOYSA-N;121.1;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43304;MM43304;C#CC(=O)NC(=O)C#N;CJESFLNWDSTRMC-UHFFFAOYSA-N;122.08;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43305;MM43305;C#CC(=O)OC(=C)C=O;BJQFHZXDLQEJRS-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43306;MM43306;C#CC(=O)OC(=C)C#N;WYTHDLGRIMQLRH-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43307;MM43307;C#CC(=C)OC(=O)C=O;XGDDUPCTBPYSOM-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43308;MM43308;C#CC(=C)OC(=O)C#N;ARQHSFFZCCXOBA-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43309;MM43309;CC(=NN(C)C)NOC=O;XMTLEATXGCHMRM-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43310;MM43310;C#CC(=C)NC(=O)C#C;JHFXTIWJGLHCNN-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43311;MM43311;CC(=CC=O)CNCC#N;QDWBPYCEPRCZIB-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43312;MM43312;C#CC(=N)NC(=O)C#C;XNZJELDKKPIPGB-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43313;MM43313;C#CC(=O)NC(=O)C#C;INHFCFZDQIEKTF-UHFFFAOYSA-N;121.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43314;MM43314;C#CC(=C)OC(=O)C#C;ZIUJDHBDVUCKQT-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43315;MM43315;C=CN(N)C(=NC=O)OC;RABMXWXBZNALMB-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43316;MM43316;CCOCC(C#N)N(C)C;MGACAJOEOQUQIP-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43317;MM43317;CC(=NN)C(C)C;YSYJXCYULHQEBQ-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43318;MM43318;CCC(CC)=NN;HBRSNALVNREPIB-UHFFFAOYSA-N;100.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43319;MM43319;CN(N)C=NNC(N)=O;WZHXBGSBQPPYQR-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01855;MM01855;CCC(F)CC(C)=NO;NRZQLPSBQQCSNJ-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43320;MM43320;NCC#CC(F)F;UNQGMDCFZGTBBI-UHFFFAOYSA-N;105.09;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43321;MM43321;CNCC(F)CC(C)=O;UZHFCBYRYMYDDZ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43322;MM43322;C=CCNN=CC;KEZWDEMPHZSOJV-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43323;MM43323;C=CC=CC=NN;DSCFGPZEYJQGNE-UHFFFAOYSA-N;96.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43324;MM43324;C=NNC=CN=NCCN;DOSPQVDYLBCATF-UHFFFAOYSA-N;141.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43325;MM43325;C#CC(=N)N(C)N=C;JTCDJQGNYVBHJE-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43326;MM43326;C=CC(=O)CC(F)CNC;VBJQAUWCKCLBHL-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43327;MM43327;CC#CCC(=NO)NN;JAANQGJRPMXVKX-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43328;MM43328;CN=C(C#N)N(C)C;LJQRTZYGOPSELB-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43329;MM43329;CN(N)C=NNC=O;HRYCOYGUZUVGNV-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43330;MM43330;N#CCNC=NC=C(F)F;IEWUNHHNEGPTQC-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43331;MM43331;C=CN(N)C(C)=NO;HFENQKWDSYCCFQ-UHFFFAOYSA-N;115.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43332;MM43332;COC(C)OC(C)=NO;YGBVJXZJRKWGHY-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43333;MM43333;C#CCN(C)C=NOCC;ZEABWXBZHHMDLS-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43334;MM43334;C=CNC(=NO)N(O)C=C;UNFJSPNNQVBJHW-UHFFFAOYSA-N;143.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43335;MM43335;CC(=CF)CC(C)C=O;YBNVEACCLDRRLA-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43336;MM43336;CC(=CF)CC(O)C#N;NAECDURQNJXVIA-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43337;MM43337;O=CC(O)CC(F)=CF;LLCOEHJILXLPLK-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43338;MM43338;CCC(=NO)NCCC=O;KIIAHMDVANXGKE-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43339;MM43339;C=CC(O)CC(C)=NO;CZGVGZRIKBEJGY-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43340;MM43340;CC(CC(O)C=O)=NO;JHAFYIOIKKNORX-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43341;MM43341;CC(CC(F)C=O)=NO;TVNDUCRRBUUMST-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43342;MM43342;CC(CC(F)C#N)=NO;JEKPAUKTZJPAFD-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43343;MM43343;CN(C=O)CCNCC#N;QEIXRYJDWHZTAY-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43344;MM43344;C=NN=CCNC(=N)C=O;NUMFHXCSWAYBOK-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43345;MM43345;C#CC(C)N(N=C)C(C)=N;CQHNHJUOTIPESW-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43346;MM43346;C=C(C)NC(=NO)NO;BVUDMADZLWTJLH-UHFFFAOYSA-N;131.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43347;MM43347;CC(=CF)CN(O)C=O;HJFDGXRCYYONMF-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43348;MM43348;CCC(C#N)N=CNO;FHVGPHOJYZCFQP-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43349;MM43349;C=NN(C)C(=N)CO;FQVVMVDEAZIRHA-UHFFFAOYSA-N;115.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43350;MM43350;N=C(NO)OC=O;BTBYTYAAVMSFRP-UHFFFAOYSA-N;104.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43351;MM43351;C=NNCCN(CC)N=C;LMRHMJPEZUFQFJ-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43352;MM43352;CC=C(C)CC(=O)CO;WWZGNPRWIUFNBE-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43353;MM43353;CC(=CF)CC(=O)CO;WXHSOXHRNNFQJB-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43354;MM43354;C#CC(=NC=COC)NO;SNFQCIJBPNMCDG-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43355;MM43355;C=C(CO)CC(C)=NO;XQUPAKBLZWLZLM-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43356;MM43356;CCC(=O)CC(C)=NO;IGMOIOAJGGWNAO-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43357;MM43357;N=CNC=NC(=N)C=NN;XOTFDJGGWGKBNF-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43358;MM43358;C=CNC(=NOC)N(C)O;CPOCPIGWNDAILG-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43359;MM43359;C#CC(=O)N(N)C(=N)N;IMRBHGANXNCGAU-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43360;MM43360;C#CCNN=CN(C)O;HHLKGJABPXHWLA-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43361;MM43361;CNC(C#N)C(C)=CC=O;FPVYZESMLOKMDF-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43362;MM43362;CC#CCNN=CN(C)O;RILQDOMXYYGTFQ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43363;MM43363;CN(O)C=NC=N;AIWVFWYLJRNNIV-UHFFFAOYSA-N;101.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43364;MM43364;N=CNC(C=O)=CN;PUTRVQYSVPLUGK-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43365;MM43365;CCC(CCO)NCC#N;BGWHFNHFVQGRID-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43366;MM43366;CC=C(C)NC(=O)CO;HZJLZXJWWLQZHQ-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43367;MM43367;CCC(=O)CN=CN=CN;XXLSKOAEKWJPOI-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43368;MM43368;CC(=N)NC(C=O)=CC#N;PSESCIHHYCYZJG-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43369;MM43369;CCN(C=NC)N=COC;LBTMCNLBADSEQR-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43370;MM43370;CN(C)C(=N)C(=O)CF;YLYPBPLNFRESSM-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43371;MM43371;CC(=NO)NC(=O)CF;MJTSDJIFPKHHJN-UHFFFAOYSA-N;134.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43372;MM43372;CNC(C#N)C(CF)OC;UFVMUSHKEFLIPF-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43373;MM43373;CC(C=O)CCNCC#N;DYVFMZIXZYVITH-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43374;MM43374;CNN=C(C=O)NNC;YMAQBSVIWHPJMQ-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43375;MM43375;CCC(=NN)NCC=NO;VKPYODATAPESTR-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43376;MM43376;CN(N)C=NC=CC=NO;ZLYMMMHRGUWMPR-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43377;MM43377;CCC(CNC(C)C)=NO;OSIFRMYSAMDVKN-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43378;MM43378;CC(F)C(=N)NC=NN;CJMJYLZXVLZGQJ-UHFFFAOYSA-N;132.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43379;MM43379;CC=C(C)NC(=O)NO;IRSFBTVVXIYFFV-UHFFFAOYSA-N;130.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43380;MM43380;CC(=CF)NC(=O)NO;MGXPVVKIQNZVDP-UHFFFAOYSA-N;134.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43381;MM43381;CCON=CC=NN;HZZHESDIGTXKPV-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43382;MM43382;C=CC(CNC(C)C)=NO;IHFPTTFIVJUNTO-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43383;MM43383;CNC(=O)NC(C)=NO;HGGIMXMVJHOFMT-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43384;MM43384;CC(=NO)NC(=O)NN;FSZHHQKGZXDHAF-UHFFFAOYSA-N;132.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43385;MM43385;C#CC(C#C)CNCC#N;CNFKUYPISFOSHE-UHFFFAOYSA-N;132.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43386;MM43386;C=CCC=NN;ZMPSZKGEYFCCHH-UHFFFAOYSA-N;84.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43387;MM43387;CNCC#CC(C)(O)C#N;SIWADVNZPBMDHD-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43388;MM43388;CCCC=NN(C)C;SEEKWDSXURZRIV-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43389;MM43389;CN=C(C)NC(=O)OC;FMPRLTUDTVPYGL-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43390;MM43390;COC(=O)NC(C)=NO;INKINEMAHFCUKS-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43391;MM43391;CC(N)=C(F)C=NN;PWIMIUYDTJLDCM-UHFFFAOYSA-N;117.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43392;MM43392;C#CCN(C)C=NOC;XWZSMFVCZRXUCH-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43393;MM43393;C=NNCC(C)(C)NN=C;QFBWTPVAIRBKNX-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43394;MM43394;CC(=CF)OC(=O)CO;AZFHDYKKESAEHH-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43395;MM43395;C#CCC(=N)NN=C;KUNQUDMQLONTNA-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43396;MM43396;C=NNC(=N)CN(C)C=O;NBOHEYKIDCNULQ-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43397;MM43397;C=C(CO)OC(C)=NO;QCRLOOXDRKWFCX-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43398;MM43398;CC(=NO)OC(=O)CO;HXBJYFVVOXKVBT-UHFFFAOYSA-N;133.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43399;MM43399;C=C(NC=N)C(=O)NC=N;HVBYOZIQCDOIPN-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43400;MM43400;CC(=NO)OC(=O)CF;UBVLRELRPGVJGB-UHFFFAOYSA-N;135.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43401;MM43401;C=COCC(=NOC)NN;YQGGUVPKMUCARD-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43402;MM43402;C=NOC(=N)NC=NC;VVROBDYSGWZNMY-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43403;MM43403;ON=CC1CN1;LAXGRWUURSBNAD-UHFFFAOYSA-N;86.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43404;MM43404;CNC(=O)OC(C)=NO;HGNLJAWETNEGOS-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43405;MM43405;CC(=NN)OC(=O)NN;BQVCNGMEZOFEKE-UHFFFAOYSA-N;132.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43406;MM43406;CC(=NO)OC(=O)NO;VWYSAKUIBDWTIB-UHFFFAOYSA-N;134.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43407;MM43407;CC=C(C)OC(=O)OC;PAEMHDGNYIABTD-UHFFFAOYSA-N;130.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43408;MM43408;COC(=O)OC(C)=CF;CNQVKAGSHPOXMH-UHFFFAOYSA-N;134.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43409;MM43409;C#CC(C)(C)C(=NO)NN;HGYXLJWAFNEXNR-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15317;MM15317;C=CC(=O)CC(C)=CF;PVEMDYAEBFZJTB-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43410;MM43410;CC(CC(=O)C=O)=NO;PHVQIULILDDHNI-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43411;MM43411;CC(CC(=O)C#N)=NO;CFBLSKLUKLKEPL-UHFFFAOYSA-N;126.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43412;MM43412;C=NNC(C(=C)C)C(=C)C;LQKOATIAGBGIGZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43413;MM43413;CN(C)C(=CC#N)N(C)C;XXZGEGGDERQSPX-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43414;MM43414;CC(=CF)NC(=O)C#N;JRBKHGHYRZAKMW-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43415;MM43415;CNC(C#N)CN(C)C=O;OLXNJSSOSKDDPW-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43416;MM43416;C=C(C#N)NC(C)=NO;QJLYCNAWULUOMO-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43417;MM43417;C=CN=C(N)C(C=O)=NO;NTFNAOVOSUJORS-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43418;MM43418;CC(=NO)NC(=N)C#N;HSRMOKQAXIRVLA-UHFFFAOYSA-N;126.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43419;MM43419;CN=C(C)NC(=O)C#N;DISDSZRQZBYQDR-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43420;MM43420;CC(=NO)NC(=O)C=O;CFINXYDBHCMFAR-UHFFFAOYSA-N;130.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43421;MM43421;C=C(C=O)OC(C)=NO;WUGFMIRXASBEOJ-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43422;MM43422;C=C(C#N)OC(C)=NO;HIPUDBKAEDXKGW-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43423;MM43423;C=CC(=O)OC(C)=NO;OFODSCFYWJBZMX-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43424;MM43424;CN(OCC#N)C(=N)CF;JVDQNKPJQFKHHR-UHFFFAOYSA-N;145.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43425;MM43425;C=CCNC(C#N)CCF;ZIGIDJIYPPRXRZ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43426;MM43426;C#CC(=O)NC(C)=CF;NLEQOXALOKIZPM-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43427;MM43427;CONC(=N)C(C)=NO;AQFSQKKTJJJWGM-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43428;MM43428;CNN=C(NC)C(O)C#N;PCRLUYPJCNRLBG-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43429;MM43429;C=NNC(=NN=CC)NN;JAFQZMWRCUZFPF-UHFFFAOYSA-N;142.17;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43430;MM43430;C=NN=C(NN)NN=CC;JAFQZMWRCUZFPF-UHFFFAOYSA-N;142.17;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43431;MM43431;C#CC(=O)NC(C)=NO;CXGXFNKATWWVMJ-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43432;MM43432;C#CC(=C)OC(C)=NO;VSXVODGRRBRVCK-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43433;MM43433;C=C(OC)C(=NO)NN;VCVVXLJIJSWNJB-UHFFFAOYSA-N;131.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43434;MM43434;C#CC(=O)OC(C)=NO;PAQZZJQYQJWSHD-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43435;MM43435;N=CN(C=N)C(C=O)=CF;KUGJEEAOWUJDQO-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43436;MM43436;CC(=CF)NC(C)=NO;INQRMHIUTXJENB-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43437;MM43437;CNN=C(C)C;JXSSEZYJBTUIGX-UHFFFAOYSA-N;86.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43438;MM43438;CNCC(=O)NN=CCN;HXKUHZWOVHSJOP-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43439;MM43439;CC(=NO)NC(C)=NO;LFXYRUIDACZSOW-UHFFFAOYSA-N;131.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43440;MM43440;CC#CC(O)C#CC(C)N;AKBLYUWTVHBELH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43441;MM43441;CC(=NN)OC(C)=NO;WJNGGGNOBDKEGP-UHFFFAOYSA-N;131.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43442;MM43442;CC(=NO)OC(C)=NO;GUWBCVWCDLCZCJ-UHFFFAOYSA-N;132.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43443;MM43443;CC=CC(C)=NN;OLUMBFGXMLFSHP-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43444;MM43444;C#CC(O)C#CC(C)N;NCXNRLURSVZOTL-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43445;MM43445;C=C(OCC)C(=NO)NN;PAQVHSQGOCSOFH-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43446;MM43446;C=CC(CC)=NN;OVEAORONCBNHFU-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43447;MM43447;CCCN=C(N)C=O;XGUCXOMJHMDRBR-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43448;MM43448;C=NNCCC(C)NN=C;FEMDDZZYZYRSSR-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43449;MM43449;C#CC(F)(C#C)C(=N)NC;FGCMOAJQPUGXAR-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43450;MM43450;C#CC(=N)N=CN(C)OC;NALYXHKCLOHLLB-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43451;MM43451;C=CC(=C)N(N)C=NO;USBYHWDLDPPHFG-UHFFFAOYSA-N;127.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43452;MM43452;C=CNC(=NCC#N)OC;LEVWSUWTEIDUBT-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43453;MM43453;CCC(O)C=C(F)CO;BWENAINMKGSADF-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43454;MM43454;C=NN=C(NN)N(C)N=C;UWLBMSBZXMTSTG-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43455;MM43455;C#CC(=C)N(N)C=NC=O;ZQJZEZIKWJZULH-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43456;MM43456;C=NNCC(CC)NN=C;LHVDQJLDAQGDIO-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43457;MM43457;C=CC=NN(C)C;QPQDIJVEDXZVBO-UHFFFAOYSA-N;98.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43458;MM43458;C=CC(C=C)=NN;RKBBWHSAGYYZSZ-UHFFFAOYSA-N;96.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43459;MM43459;CN(C)CC(F)C#N;DAMVLWORJNUMOT-UHFFFAOYSA-N;116.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43460;MM43460;CC=NN(C)C(=N)C(C)O;JCIPPEKFHPEGIY-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43461;MM43461;CCNN=CC(C)C;RKTNZIQSYZDTJV-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43462;MM43462;CNC(=N)C(C)=NO;AJTWZUKRZNMLLJ-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43463;MM43463;C#CC=CCNCC#N;NSVUXFLWAUQSSV-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43464;MM43464;C=CC(C#N)(CCF)NC;IRTFKBXECZXSHV-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43465;MM43465;CNC(C#N)CC(C)C#N;HINBDGPYISDHQU-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43466;MM43466;C=CC(C)=CC(O)CO;DFVYJBGWNCILBC-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43467;MM43467;CC(C#N)=CC(O)CF;FCBVHJPGTOQLAG-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43468;MM43468;C=CC(F)=CC(O)CO;VNYMZKZXOLVTAV-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43469;MM43469;CC(C#N)=CC(F)CO;AFWCRBYCNOSZEF-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43470;MM43470;C#CCN(CC)C(C)C#N;UASIAMVCBNRXRN-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43471;MM43471;C=COCC(C#N)N(C)C;GVEVJVWQLZPWAT-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43472;MM43472;C=CC=NN(C=N)C(C)=N;GKUPOMXPKWCXMJ-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43473;MM43473;CC(C#N)C=C(F)CO;QGBHITQACLCLPH-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43474;MM43474;C=NNCCCCNN=C;KSWGTEMMUZHXSQ-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43475;MM43475;COC(=NCCC#N)NO;FMSUBWFMKHHOGW-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43476;MM43476;CCC(C)=CC(O)C=O;AEIZLXQGTNPBGZ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43477;MM43477;CC(=CC(O)C=O)CF;OQOSLISSFHHRIB-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43478;MM43478;CC(=CC(O)C#N)CF;YQHRCTRILFQYJE-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43479;MM43479;N#CC(O)C=C(F)CO;DATFDIGYXKNOKD-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43480;MM43480;CC(=CC(F)C=O)CO;RMXFWKAYDOXDFK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15626;MM15626;CC(=CC(F)C=O)CF;JHVPJUINHJLLLF-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43481;MM43481;COC(C)=CC(O)C#N;ZABOTHFRNLUAHI-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43482;MM43482;CC(=CN(C)C=O)CF;WKDLATSUDRXPHJ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43483;MM43483;CN(C=O)C=C(F)CO;SZPFAVSCTDNODD-UHFFFAOYSA-N;133.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43484;MM43484;C=CN(C)C(=N)C#N;YVVSOTGOKKTTDL-UHFFFAOYSA-N;109.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43485;MM43485;C#CC(O)(C=C)CN(C)C;OZEZODZKWQBXCT-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43486;MM43486;C=C(C#N)NC(=N)CF;BQYNYOFFZCYEKK-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43487;MM43487;CC(=CN(O)C=O)CF;OWURICCJXDGZIJ-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43488;MM43488;C#CC=CC(C#N)NC;KTVUGVNMLQSZAI-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43489;MM43489;COC(C)=CN(C)C=O;LKOMQIVSXRRMSS-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43490;MM43490;N=C(NO)C(F)=CN;GRLFBPNGZQAWHD-UHFFFAOYSA-N;119.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43491;MM43491;COC(C)=CN(O)C=O;NDZGNYFXWVVHJH-UHFFFAOYSA-N;131.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43492;MM43492;C=NN(C=N)C=CC#N;NGMWDTVDNYXUJG-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43493;MM43493;C=COC(C=CN)=NOC;BIXPOLPOSUSWIB-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43494;MM43494;CCON=C(C)NCC#N;OBKYLBBLPLAHRX-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43495;MM43495;CC(C#N)=CC(C)C=O;IPPAYYWGCUTFLM-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43496;MM43496;C=CC(O)C=C(C)C=O;FFMQNNCHNWSLRD-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43497;MM43497;C=CC(C)=CC(O)C=O;ROOCTECEESLBNB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43498;MM43498;CC(C#N)=CC(O)C=O;UQZQKWGNSUOHHD-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43499;MM43499;N#CC(O)C=C(F)C=O;IHPNITDGVLHWAP-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43500;MM43500;N#CC(F)=CC(O)C=O;VLKQEKZTPZTQIP-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43501;MM43501;N#CC(F)=CC(O)C#N;HVYBURIXUBUWCI-UHFFFAOYSA-N;126.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43502;MM43502;CN=C(N)C(=O)OC=CF;OPKSIMAGHUXYBQ-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43503;MM43503;CC(C#N)=CN(C)C=O;JELIQJNINZMHEO-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43504;MM43504;CCC(C)=NN;VPGUBZVWMHRRSS-UHFFFAOYSA-N;86.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43505;MM43505;C=CC(C)=NN;FXXNNCMDUAYMEB-UHFFFAOYSA-N;84.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43506;MM43506;CN(C=O)C=C(F)C#N;NXBSGCLTEUIRCD-UHFFFAOYSA-N;128.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43507;MM43507;CN(O)C=NNCC#N;DRYCJQHITAACGB-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43508;MM43508;C=CCN(CC)N=C;DAEPCPUQFONTBT-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43509;MM43509;C=CC=NNC(C)(C)C;NPPBERZCCQKLBF-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43510;MM43510;CCN(C=NC(C)=N)OC;VMRHZAZLFLHCIH-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43511;MM43511;CC(C#N)=NN(C)C=O;ZPOOPURVLFKJSG-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43512;MM43512;C#CC(C)=CC(O)C#N;BLEYHMNWUGBJFP-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43513;MM43513;C#CC(F)=CC(O)C=O;KBPUEWVPAXIBJR-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43514;MM43514;C#CC(F)=CC(O)C#N;IFTDYVWNJDQXMJ-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43515;MM43515;CNN(C=NC=N)CC#N;JMEHVSBOMAJXEZ-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43516;MM43516;C#CC(C)=CN(C)C=O;BDKKHECWCPQBRX-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43517;MM43517;C#CC1CN1C;UEYCHWJWFZHSPF-UHFFFAOYSA-N;81.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43518;MM43518;C#CC(F)=CN(C)C=O;LUSFPRLVVLOSDN-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43519;MM43519;CC=NN(C)CC;ZASSTLOPZXTJFX-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43520;MM43520;C=NN(C)CC(=C)C;VPXPROYWVARCLF-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43521;MM43521;N#CCNCCCNC=O;RWUHWWGFEWIHFX-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43522;MM43522;CCN=CN=NC=CNO;DTYBXSUATNTBPE-UHFFFAOYSA-N;142.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43523;MM43523;C=CC(C=C)=NOC;FNTCUVXDSFIQHM-UHFFFAOYSA-N;111.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43524;MM43524;CCCC=NNCC;YICJUYKPMNNKIA-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43525;MM43525;C#CC(O)C=C(C)CF;HDILVKGHQFBXHR-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43526;MM43526;C#CC(O)C=C(F)CO;ADGHJXJYGKUTCW-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43527;MM43527;C#CC(O)C=C(C)C#N;VEZYDPPKMXGPAR-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43528;MM43528;C#CC(O)C=C(F)C=O;PYMJFWMXPGASJK-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15341;MM15341;C#CC(F)=CC(O)C#C;NCYCEQGJAIEONO-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43529;MM43529;C=C(C=C(C)CO)CO;SNPWIAUDLWBNQF-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43530;MM43530;CCC(C)=CC(=O)CO;OUPPWEPVQMTUOK-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43531;MM43531;CC(=CC(=O)CO)CF;UGYGLGYGBXZQRT-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43532;MM43532;CC(=CC(=O)CF)CO;JICKLHUTAOHFDP-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43533;MM43533;CCC(=O)C=C(N)CC;XWSPOKFDHCLBAV-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43534;MM43534;CCC(=O)C=C(N)CO;GYJIJNOWUUTHKV-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43535;MM43535;CCC(=O)C=C(F)CO;CCIUMMKDYULQKF-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43536;MM43536;CCC(F)=CC(=O)CO;QVGNOHQHNNVXCS-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43537;MM43537;CCC(=O)C=C(N)OC;SVYYPRASTPQTQY-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43538;MM43538;C=NN(C)C(=N)CC=O;FKBXACMFJPASCL-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43539;MM43539;CC=CC=NNCC;UNFMIQGCXITQCN-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43540;MM43540;CC(C)=CC(=NO)C(=N)N;FDTYFPQKOHLIQH-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43541;MM43541;C=NNCCN(C)CC=O;CSCUNKRAZLUQST-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43542;MM43542;CNN=CN(C)OC;DNCUDTHVYFGINV-UHFFFAOYSA-N;117.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43543;MM43543;CCCC(NC)C(=O)NN;ISSHXYKCBXJWGD-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43544;MM43544;CON=C(C)NCC#N;QQMLUHBLZFMXKA-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43545;MM43545;CNN=C(C#CCF)NN;DEDOUNGWEKHBDM-UHFFFAOYSA-N;144.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43546;MM43546;CC(=CC(=O)NO)CF;GIDIGCPYBLIBMG-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43547;MM43547;CCOC(=NN)NN;MORCBRWEZPHZFC-UHFFFAOYSA-N;118.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43548;MM43548;CNC(=O)C=C(F)CO;LZGFWNUYBSMYCZ-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43549;MM43549;CCCOC(=NN)NN;LGAOBFJZSAVJMK-UHFFFAOYSA-N;132.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43550;MM43550;NNC(=O)C=C(F)CF;CJECQFOYIRLYMV-UHFFFAOYSA-N;136.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43551;MM43551;CON(C=NC=N)C(C)C;KKINZQKYOGJFHF-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43552;MM43552;CC(C)COC(=NN)NN;QCKNFJQIPRUBQO-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43553;MM43553;C=CCCOC(=NN)NN;JRERUPPLTSZDAH-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43554;MM43554;CNC(N)=CC(=O)NO;PDINVDKBMVRGQF-UHFFFAOYSA-N;131.14;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43555;MM43555;C#CC(C#C)N(C=N)OC;SWYCBDJVCHKLFM-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43556;MM43556;C=C(COC)C(C#N)NC;CMDDXFYHGORCJI-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43557;MM43557;NC1C(O)C1O;NUESGONZNVEXLT-UHFFFAOYSA-N;89.09;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43558;MM43558;CNC(C#N)C(C)=COC;FTFHQVBJSMRTEZ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43559;MM43559;CNN=CC(C)C;QLVOGAHIAVPTFB-UHFFFAOYSA-N;100.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43560;MM43560;COC(=O)C=C(C)CO;GTSWGSZEDFAGCU-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43561;MM43561;CNC(N)=CC(=O)OC;BMDDDUVWRHWJME-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43562;MM43562;COC(=O)C=C(N)OC;NKWYBZUUYVOBDI-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43563;MM43563;C=CC(C)=CC(=O)CO;FZGWWSMJYTZHGQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43564;MM43564;CC(C#N)=CC(=O)CO;MAQBTNGMQBCFPH-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43565;MM43565;CCC(=O)C=C(N)C=O;DJTPAQFMZSXQDA-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43566;MM43566;NC(C=O)=CC(=O)CO;ZFJKPKZOWHSMKZ-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43567;MM43567;N#CC(N)=CC(=O)CF;JZWLRDPIGRMDSY-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43568;MM43568;C=CC(F)=CC(=O)CO;OLXXVSVAQPWQCB-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43569;MM43569;N#CC(F)=CC(=O)CO;NANYPXAQEOTNDI-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43570;MM43570;C=CCN(C)N=C;XWIKHLLQKWPNGT-UHFFFAOYSA-N;98.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43571;MM43571;CC=NNC(C)(C)C;OQRUSTZYRPPLRO-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43572;MM43572;CON=C(C#N)C(=N)N;WDNKUEPVRIQPAW-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43573;MM43573;C=CC=NNC(C)C;NJKPEODFPPDQOO-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43574;MM43574;CNC(=O)C=C(C)C#N;ZOABYPXFHACECY-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43575;MM43575;C#CCCNC(=N)C(C)=O;ZWSMPBLRUXWLFD-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43576;MM43576;CCCC(O)C(=N)NO;NOLMYZMDRBYROH-UHFFFAOYSA-N;132.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43577;MM43577;CNC(=O)C=C(N)C#N;IJKIYOQAYNBFLB-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43578;MM43578;N#CC(N)=CC(=O)NO;IAHMHTHVKALHQL-UHFFFAOYSA-N;127.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43579;MM43579;CNC(=O)C=C(F)C=O;IJAMUJAXLICLCM-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43580;MM43580;CNC(=O)C=C(F)C#N;RHGMFRVAKUHMJK-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43581;MM43581;N#CC(F)=CC(=O)NO;ZCMSIEASIXHLOA-UHFFFAOYSA-N;130.08;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43582;MM43582;COC(=O)C=C(C)C=O;MQEABLCNUISMMX-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43583;MM43583;COC(=O)C=C(N)C=O;HCLDTXAKXVPYNN-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43584;MM43584;COC(=O)C=C(N)C#N;JCVFAKPGSCMLES-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43585;MM43585;C#CC(C)=CC(=O)CO;LCYVMNUKSWTDAT-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43586;MM43586;C#CC(F)=CC(=O)CO;ZDHUVRCAKUCGHD-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43587;MM43587;CCN(C)C=NOC=O;YNTUZCHFVAFGNF-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43588;MM43588;CON=CC#CC=NN;NMVMUGOBKQWYEI-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43589;MM43589;C#CC(O)C(=C)C#CCN;AZCKNIFMFNEYJD-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43590;MM43590;CN(C)C=NOC(=O)C#N;FACBWRHZIORIMY-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43591;MM43591;CN=C(NN)N(O)C=N;FZFGKVUFRGHVRJ-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43592;MM43592;C=C(C)N=CNC(=N)C#N;VUICKQFUUNUHMY-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43593;MM43593;C#CC(F)=CC(=O)NC;RUHKRLFFXVSBLK-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43594;MM43594;C#CC(F)=CC(=O)NN;KOQQZIYMLLQELN-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43595;MM43595;C#CC(F)=CC(=O)NO;LEANLCBZUGZXNL-UHFFFAOYSA-N;129.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43596;MM43596;C#CC(N)=CC(=O)OC;OSOUZBOZHCZJEG-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43597;MM43597;CC(=CC(=O)C=O)CO;SVUIRJOVLVUMTN-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43598;MM43598;CC(=CC(=O)C#N)CO;QUQZVUDSEGZLOG-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43599;MM43599;NC(=CC(=O)C=O)CO;JJZJHZHXEMWUJQ-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43600;MM43600;NC(=CC(=O)C=O)CF;RHINDOBIJOICHF-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43601;MM43601;N#CC(=O)C=C(F)CO;MBIMPTYWQJYYQU-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43602;MM43602;CNC(N)=CC(=O)C#N;CRAHOFDSCPQVRG-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43603;MM43603;COC(C)=CC(=O)C#N;VSNHCTZHPBFZJS-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43604;MM43604;C=CC(=O)C=C(N)OC;CAXUUXBYTPBVTL-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43605;MM43605;COC(N)=CC(=O)C=O;DPTUCAGCFJTUIO-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43606;MM43606;COC(N)=CC(=O)C#N;YCYVCZYQMYHWNH-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43607;MM43607;CC(C=O)=CC(=O)C=O;LIXJOMMXGNADAV-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43608;MM43608;CC(C#N)=CC(=O)C=O;KSIAQWTVYZDCSE-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43609;MM43609;CC(C=O)=CC(=O)C#N;DOQWAIWEVHEHAA-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43610;MM43610;CC(C#N)=CC(=O)C#N;YECLYCWQAOLGSJ-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43611;MM43611;C=CC(=O)C=C(N)C#N;KACGGRGQVHWWQS-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43612;MM43612;NC(C=O)=CC(=O)C=O;VZXBGEPGDDZEHD-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43613;MM43613;N#CC(=O)C=C(N)C=O;YJFYJBASUHBYLX-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43614;MM43614;N#CC(=O)C=C(N)C#N;GZXBBQYCWBRCQO-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43615;MM43615;N#CC(=O)C=C(F)C=O;YZJVLAQHQFQQMM-UHFFFAOYSA-N;127.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43616;MM43616;C#CC(N)=CC(=O)C#N;SMJSXRVJICBWSU-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43617;MM43617;C#CC(F)=CC(=O)C=O;SOMNHPHWXSPMLS-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43618;MM43618;C#CC(=O)C=C(F)CO;VYZBWFLBGHZNHH-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43619;MM43619;C#CCN(N)C=NNC=O;WYYQMVIVHFXTAT-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43620;MM43620;C#CC(=O)C=C(N)OC;DCHINKFCJYYIHL-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43621;MM43621;C#CC(=O)C=C(N)C=O;FIFFGTNXONWUHY-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43622;MM43622;C#CC(=O)C=C(N)C#N;CUAZGTWYZMAOMC-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43623;MM43623;C#CC(=O)C=C(F)C=O;LSNKFZCBCPJVAH-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43624;MM43624;C#CC(=O)C=C(N)C#C;YMCUEQZACKFJHO-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43625;MM43625;COCC=NN=CN(C)C;LTFPBLDIXHPLNW-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43626;MM43626;CC(=CC(C)=NO)CO;SARSHNIYZMPGEA-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43627;MM43627;C=C(C)N(N)C=NO;WOLZAISFIQQIPJ-UHFFFAOYSA-N;115.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43628;MM43628;C#CCC(C)(N)C#CCO;UFXCFZUVDHXDKS-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43629;MM43629;CC(C=CN)=NO;KQZJVLTVYDXHIG-UHFFFAOYSA-N;100.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43630;MM43630;C#CC(=C)N(N)C=NN=C;CWMJQUMQFNUAAS-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43631;MM43631;C=CNC(=NO)NO;OXNUJYWXCRZIAQ-UHFFFAOYSA-N;117.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43632;MM43632;CON(C)C(=NO)NN;ZHGUVICLELNROU-UHFFFAOYSA-N;134.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43633;MM43633;C#CC(=N)N(O)C=CF;XMHBFEZCSRBNLG-UHFFFAOYSA-N;128.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43634;MM43634;C=CN(N=CC)C(=N)CO;RZWVONXBYRTYOC-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43635;MM43635;CON(CC#N)C(=N)CO;HHLQHGAWQKQWGL-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43636;MM43636;CCON=C(CO)C(C)N;MTEXZPBVNNARHZ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43637;MM43637;COC=NNC(=N)CO;ITEVLJOUUFNKFN-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43638;MM43638;CC(C=C(N)C=O)=NO;MVHCVHZIOPGNCI-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43639;MM43639;N#CC(=N)NC(N)=NO;NJJVDDHMVISAHU-UHFFFAOYSA-N;127.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43640;MM43640;CCNN(CC)C(=N)C#N;HGTRFLCAIRZAFX-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43641;MM43641;N#CCCNC(CF)CF;AKIUJPHHGULHQG-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43642;MM43642;CCOC=NNC(=N)CO;YBWMFJMKWQOLCC-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43643;MM43643;CC(O)CCC(O)CF;VHNLYDIIEOPAPJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43644;MM43644;CC(F)CCC(O)CO;UGHPSGNIXIBPPG-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43645;MM43645;C=CC=NNCC;QSFASNKHUQSGHP-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43646;MM43646;CC=CC(C#N)N(O)C=N;ZMKGTDBCBLGSGY-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43647;MM43647;C=CC=NNCCC;JJFQUMAZKHMCJW-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43648;MM43648;COC(=CC#CCN)CO;ZFOKDJBDRZFKPP-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43649;MM43649;CC(C)OCC(O)CO;UNFGWQUDDQBNLD-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43650;MM43650;CC(C)OCC(F)CO;SFSMDFRLCYPGRD-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43651;MM43651;C#CC#CC(=O)C(=N)N;HSZVRTXCXJJCQT-UHFFFAOYSA-N;120.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43652;MM43652;CC=NNC(=NC=N)NC;ODKSFTSEZRUZAL-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43653;MM43653;CCN(O)C(=N)CCF;NIRCSIJKYIBPBF-UHFFFAOYSA-N;134.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43654;MM43654;CCC(F)C(=N)NO;ZVOHDGVQORAXLX-UHFFFAOYSA-N;120.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43655;MM43655;C#CCCNC(=N)C#N;HSNWKVNTSHHOPU-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43656;MM43656;CN(C)CC(C#N)=CC#N;XLQBPEPKVYCHRC-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43657;MM43657;C=NN(C=N)C(=N)C(C)C;NFGVCDZLZQUQKZ-UHFFFAOYSA-N;140.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43658;MM43658;CC#CC#CC(=O)C(=N)N;FDWMECDESDOOAX-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43659;MM43659;CCC=NNCC;NFFDVAHMQQPCMY-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43660;MM43660;C=C(CO)C(=NOC)NN;WDYBFHHSGFPHND-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43661;MM43661;CC(F)CCC(O)C=O;MUXOVHFLZJPHPR-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43662;MM43662;C=COC(=O)C(N)=NC;WKDATCXQFSDLAE-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43663;MM43663;CCN(C)N=CN(C)O;GIWSDRLWDAYABP-UHFFFAOYSA-N;131.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43664;MM43664;CC(C)OCC(O)C#N;HUMRCWDLRGAEHW-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43665;MM43665;C=NN(C=N)C(=N)CC;UVMHTLIXCTXKQV-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43666;MM43666;C=CCN(O)C(=N)C=C;HUHQVXQMZUJNLL-UHFFFAOYSA-N;126.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43667;MM43667;CC#CC(CO)NCC;JEUWTWCEFVDWJN-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43668;MM43668;CC(O)COC(C)C#N;KKTNZLSYRVFSIB-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43669;MM43669;CC(F)COC(C)C=O;CIVMAVMSJGXUCU-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43670;MM43670;CC(F)CNC(C)C(C)O;JXDGUYTXUABGJB-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43671;MM43671;C#CC(C)NN=CN(C)O;FDITZGWFXWRHCG-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43672;MM43672;C=CN(C=C)C(=N)C=O;ZCVQEMZNZCFVMX-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43673;MM43673;CN(CCC#N)C(=N)C#N;SETSNBJISQXBGK-UHFFFAOYSA-N;136.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43674;MM43674;COC(C#N)(C#N)C(=N)N;FKGZCRNHNGOFTJ-UHFFFAOYSA-N;138.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43675;MM43675;C=CC(CF)NC=NOC;DFBLBRJYDDFOTN-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43676;MM43676;CC=NN(C)C;FDWQPDLACZBQBC-UHFFFAOYSA-N;86.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43677;MM43677;C=C(C)C=NN;DJFOBTIYFAGWPD-UHFFFAOYSA-N;84.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43678;MM43678;C=CC=NNC;MQBIDMLALDURPG-UHFFFAOYSA-N;84.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43679;MM43679;C=CC(N)(C=C)C(=C)CO;SSLXDLQUDLDRHS-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43680;MM43680;CCCC=NNC;IRUFIIBGLMFTTF-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43681;MM43681;CC=NNCCCC;CGCWYQXCVFERRJ-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43682;MM43682;CCC(C)NC(=N)C#N;BEFIGNNFHQWLCJ-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43683;MM43683;C#CC(C)OCC(C)O;UWTGJSFCRYAKMG-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43684;MM43684;CC#CCNC(C)CO;XGYKJCCPVMWENC-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43685;MM43685;CC(CF)CCC(=O)O;JYGTVRIHTDQFPY-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43686;MM43686;CC(=O)CCC(F)CO;GTTYFCMYGYTVKC-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43687;MM43687;CC(=O)CCC(F)CF;UJTGHWUBLGMLBA-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43688;MM43688;C#CCCOC(=NN)NN;HMIDMFDAEGOZJZ-UHFFFAOYSA-N;142.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-fluorohexanoic Acid";MM01604;CCC(F)CCC(=O)O;CWEFFWPBOLLUPI-UHFFFAOYSA-N;134.15;1.6;101279228;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43689;MM43689;CC(O)CNC(C)C(C)F;QDFVFWWIIDLCAR-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43690;MM43690;CON=C(C)N(C)CC#N;LAJSNFCBFIIYKI-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43691;MM43691;C=CN(C=O)NC=NNC;HWHWBHQLXGYFNM-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43692;MM43692;C#CC(=C)CNC(=N)C=O;IMDPSWPRDCQOJG-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43693;MM43693;CC=NN(C=N)CC=NN;XMDFDAINFJHIGL-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43694;MM43694;C#CC(=NC=NN)NN;CHLXKQDEMUDZLP-UHFFFAOYSA-N;125.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43695;MM43695;C=NN(C=N)C(C)=CC=O;DLZLMAUQSNCZAI-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43696;MM43696;CC(CF)CNC(N)=O;RUDNZJNWHFJWCL-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43697;MM43697;C#CCON(C)C=NN;IQNHRQZZUHSYLG-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43698;MM43698;CC=NNC(C)C;CHDZJJJPEGMSAM-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43699;MM43699;CCC(F)CNC(C)=O;MUGYGGRGGKMHFB-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43700;MM43700;C=CC(C#N)NC;PMWBMMIZHKYAIX-UHFFFAOYSA-N;96.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43701;MM43701;CCC(F)CNC(N)=O;PYPJIASRMSBZFN-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43702;MM43702;C=CCNCC#N;OHMDFUNOTGDDOJ-UHFFFAOYSA-N;96.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43703;MM43703;COC(C)CNC(C)=O;KCEALLJHNZBGFP-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43704;MM43704;COC(C)CNC(N)=O;KGJLSJJEKOSBCO-UHFFFAOYSA-N;132.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43705;MM43705;COCCNCC#N;CRHLBNPXQYHPPW-UHFFFAOYSA-N;114.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43706;MM43706;CC=CCNCC#N;VBAXWZTTXNSTTG-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43707;MM43707;C=CC(CCC)NN=C;RZPDNNLCRASKGW-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43708;MM43708;CC#CCON(C)C=NN;DVFRQHKFLMJDBT-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43709;MM43709;CCC(O)COC(N)=O;MSSPAPJGHUXQMX-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43710;MM43710;C=CC(NN=C)C(C)C;HQRLMAJMPCLRHB-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43711;MM43711;CNC(=NN)C(C)=NOC;PISZGDLYNDPNHW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43712;MM43712;C=CCC(=O)C(C)NC;ORKQYDAKUDKDDH-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43713;MM43713;CC(F)CNCCCO;CEXNWGRHPXPYSR-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43714;MM43714;CNC(C#N)C=CCF;XLQXZPGQVQJZCO-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43715;MM43715;CCON=C(C#N)C(=N)N;QXDMLHOUCYDGFV-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43716;MM43716;CCC(C)OCC(N)=O;LNYJAHMPFXFYKX-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43717;MM43717;COC(C)OCC(C)=O;NBTQLOUZWNKCKQ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43718;MM43718;CCOCCNCC#N;JVPNUUQLQKFWKR-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43719;MM43719;N#CCNCC=CCF;KCWXDWBOAZAPSE-UHFFFAOYSA-N;128.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43720;MM43720;CCCCC(C)(N)C(N)=O;APLUCSUQNIELEK-UHFFFAOYSA-N;144.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43721;MM43721;COC(C)ONC(C)=O;RBONQUSSEVIUBF-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43722;MM43722;CC(=O)CCC(C)C#N;COZBYSHEFHIFTC-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43723;MM43723;C=NNC(C(=C)C)C(C)C;URHZSRGLPHMGMV-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43724;MM43724;C#CC(N)(C#C)C(=O)OC;SMKGIXBGFOUCHR-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43725;MM43725;CC(C#N)CCC(N)=O;FSZXGAPMAKXKFK-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43726;MM43726;CC(C=O)CCC(=O)O;XURWCHPWTSSQIT-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43727;MM43727;C=C(F)CCC(C)C=O;MERCZWWWKLPZDY-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43728;MM43728;C=C(C)CCC(O)C=O;VFNYAVZCKWFMII-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43729;MM43729;C=CC(O)CCC(C)=O;CGFBOLLNFGCCNH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43730;MM43730;CC(=O)CCC(O)C#N;BUUWSBUWFXLYMY-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43731;MM43731;C=CC(O)CCC(=O)O;CWBZHLLCKUGSQG-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43732;MM43732;N#CC(=O)ON(C=N)C=N;YJMVWBXHSLWXMM-UHFFFAOYSA-N;140.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43733;MM43733;N=C(NN)C(F)F;ODOBPUMWDNMGSF-UHFFFAOYSA-N;109.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43734;MM43734;CNC(C#N)C=CC(C)F;UKATYLSKXJIBNP-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43735;MM43735;CC(=O)NCC(C)C=O;OPXQPMSORHSYMU-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43736;MM43736;C=CCOCCNCC#N;SHXJTRWBJKHGSC-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43737;MM43737;C=CC(C)CNC(N)=O;YEABLIPELKGGST-UHFFFAOYSA-N;128.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43738;MM43738;CC(=O)OCC(C)C=O;NXAWYWHMPNQUJN-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43739;MM43739;C=CC(C)NN=C;CVABTIVPXYUTTH-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43740;MM43740;CC=NNCCC;JBTBOJIWJFQQPH-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43741;MM43741;C=CC(C)COC(N)=O;YUYFVGWZHREKRV-UHFFFAOYSA-N;129.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43742;MM43742;CC(C#N)COC(N)=O;AGDPMAVTBKBXEQ-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43743;MM43743;C=C(C)OCC(O)C#N;USTDOXFKECECOT-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43744;MM43744;C=CC(O)COC(C)=O;YDRQWVZQEWLPTB-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43745;MM43745;CC(=O)OCC(F)C#N;MVJDBSOJZPIXIS-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43746;MM43746;C=NNC(C)C=CC;GHAJBYJCRBJSMJ-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43747;MM43747;C=NNC(C)C(=C)C;JIMFHEZFUSFDCS-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43748;MM43748;C=NOCC(=NOC)NN;LKLKJVBWYKQAQW-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43749;MM43749;C=C(F)C#CC(=O)C(=N)N;XWONRZLGQVHIQZ-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43750;MM43750;CON=CON=CNN;DRCMPAHRANJVPC-UHFFFAOYSA-N;132.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43751;MM43751;C#CC(=C)C(CC=O)NC;DTTQRDVCDPWDIQ-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43752;MM43752;CNC(C#N)COCOC;JSFUDEYBOJKCIZ-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43753;MM43753;CC(=O)NOC(C)C#N;MWCIMOKLPIWPRG-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43754;MM43754;CC=NNC(=NN)N(C)C;LIMKBXDLELKLRC-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43755;MM43755;C=CC(C)ONC(N)=O;KSLOPCLRPCUSON-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43756;MM43756;CC(C#N)ONC(N)=O;MVUKXMUMALFDJP-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43757;MM43757;COC(=N)NN=CNC=N;ZAPJERKOMGKTBP-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43758;MM43758;CC(C)=NN;JIQXKYSNGXUDJU-UHFFFAOYSA-N;72.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43759;MM43759;CCC=NNC;CFYWNDYYRPLZQO-UHFFFAOYSA-N;86.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43760;MM43760;C=NNCC(=C)C;OVVHLCQNVYBIGZ-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43761;MM43761;CCN(C=O)NC(=N)CF;WMERWYPSTYQTMF-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43762;MM43762;C#CC(C)CCC(=O)O;YSMFQOSQEMHGSD-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43763;MM43763;C#CC(O)CCC(C)=O;XCMHLQMSVDXRTJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43764;MM43764;C=CCC(C)NN=C;JRLUGYUYPNLAKE-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43765;MM43765;C#CC(C)CNC(N)=O;AAQQACRIGZOYGT-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43766;MM43766;C=NNCC(=C)CC;LHVRHXMOMRMOBI-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43767;MM43767;C=NNCC(C)=CC;BFUDDBLRSPJOIV-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43768;MM43768;C#CC(O)COC(=C)C;KZWGWXRBSMEOAW-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43769;MM43769;CNC(C#N)COC;AUKIBVPOIDZNID-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-but-3-yn-2-yloxyacetic Acid";MM03528;C#CC(C)OCC(=O)O;POMKRQFOKXRECT-UHFFFAOYSA-N;128.13;0.11;18783130;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43770;MM43770;C=COC(C)C(=NO)NN;VWJOFWQJTZZRQY-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43771;MM43771;N=CNN=C(CF)C(=N)N;NSUUOCCYTWPSDQ-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43772;MM43772;CNC(C#N)C=C(C)C;HZMRNXAZKWZSDX-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43773;MM43773;NN(C=CF)C=NC=O;GWAREWMZPLCURK-UHFFFAOYSA-N;131.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43774;MM43774;CCC(=O)CCC(C)O;DWMNUVZLRBCGOL-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43775;MM43775;CC(O)CCC(=O)CF;ZWMKGKGGTCMFPF-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43776;MM43776;CC(F)CCC(=O)CO;SAWDQMCNXFMPKK-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43777;MM43777;COC(C)C(=NO)NN;RZPYUAMJDDUPDO-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43778;MM43778;C=NNCC(C)=C(C)C;NROHMPRYNHUZAT-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43779;MM43779;CC=COCC(=NO)NN;VIHCJFNJPAFDLW-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43780;MM43780;CCOCC(C#N)NC;VKVVJMBFYSJYKI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43781;MM43781;COC(=O)CCC(C)O;ACHJFGYOUCOVQP-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43782;MM43782;C=COCCNCC#N;SNLPWNHUCQDCRR-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43783;MM43783;COCC(=NO)NN;BEPYLUOJAVLCKZ-UHFFFAOYSA-N;119.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43784;MM43784;CNC(C)(C)C(C#N)C#N;OGVBFUOFFNKOKY-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43785;MM43785;CNC(=O)COC(C)C;JYIPUXNUNNESBT-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43786;MM43786;CC=C(F)C(=NO)NN;OZAXGVYBRJVAKL-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43787;MM43787;C#CC(=NO)N(N)C=NC;ZGXBGRBUJJUYHF-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43788;MM43788;CC(C)CNC(=O)CO;AWQKYZDAWYOUDC-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43789;MM43789;CC(F)=CN(N)C=NC=O;CRQPLMCNHCPECJ-UHFFFAOYSA-N;145.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43790;MM43790;C#CC(=O)ON=CN(C)C;DIYZIPBZJQSCTM-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43791;MM43791;CCNN=C(NO)NC=O;JISXFUGPMVYQQD-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43792;MM43792;NC(CCC#CC=O)=NO;OIACPXFMOJRELH-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43793;MM43793;CNC(=O)NCC(C)C;JLMRWMITMSWWCM-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43794;MM43794;COC(=O)NCC(C)C;XHNVYMUDGCGQLT-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43795;MM43795;CNC(C#N)C=C(C)CF;WGSSMPZQCXVKOI-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43796;MM43796;C=NN=C(NN)NN=C;GDRGMBVUJDLAMY-UHFFFAOYSA-N;128.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43797;MM43797;CNN=CNCC(C)CF;ABCDSVTZWZLMSB-UHFFFAOYSA-N;147.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43798;MM43798;CC=C(C)N(N)C=NO;SMYMWOKYLIMMLU-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43799;MM43799;CNC(=O)NOC(C)C;KWFPHXCMDYKHEV-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43800;MM43800;CC(C)ONC(=O)NO;UGFZQIMWFOINIV-UHFFFAOYSA-N;134.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43801;MM43801;CN(C=NC=N)C=NC=O;HXFOKBVVGPDJML-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43802;MM43802;C=C(CO)OCC(C)O;PGYDGBDJMWQSDD-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43803;MM43803;C=CCNN=C;HRZSPGWAHBATER-UHFFFAOYSA-N;84.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43804;MM43804;CC(C)COC(=O)CO;DYVMQTLQAZMTNK-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43805;MM43805;N=CNC=NC(=N)C(=N)N;CPAIVJRDNDRAIX-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43806;MM43806;CC(C)COC(=O)NO;ITJIAVPHDOKGHM-UHFFFAOYSA-N;133.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43807;MM43807;CNC(=O)OCC(C)F;WAOBVHKGQORJPZ-UHFFFAOYSA-N;135.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43808;MM43808;COC(=O)OCC(C)C;PDOXCFPUGNQQSW-UHFFFAOYSA-N;132.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43809;MM43809;C=CC(C)CNN=C;VLKVRYCCNCYBLX-UHFFFAOYSA-N;112.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43810;MM43810;COC(=O)OCC(C)O;LZUMEUMFGSZNDK-UHFFFAOYSA-N;134.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43811;MM43811;C=NN=CN(C=N)OC;LCWGNTBJXKBYJI-UHFFFAOYSA-N;128.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43812;MM43812;C=CC=CN(N)C(C)=NO;GEWWYWGLYCZEAW-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43813;MM43813;C#CC(CC)(CN)NN=C;XEUMNNJRHGLCNJ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43814;MM43814;C=CC=CCNCC#N;HQZPKZTWACBHDN-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43815;MM43815;CC(O)CCC(=O)C=O;RVOVPSYFTJDKHE-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43816;MM43816;CC(O)CCC(=O)C#N;JLXHPDWJAUWFMY-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43817;MM43817;C=CC(=O)CCC(F)F;DTEBXWCJTHJYQV-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43818;MM43818;C#CCC(=C)NC(=N)C=O;NKAJGEHCDZHBKG-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43819;MM43819;C=NN(C=N)CC(=C)C#N;ZLWUBAAZYKVPTD-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43820;MM43820;CC(C)OCC(=O)C=O;DCUFVKAFYUQLMX-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43821;MM43821;CC=NN=CN(C=N)OC;XJZPTBNPXJMPFK-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43822;MM43822;C=CCC(=N)NOC=NO;JBFOPVMKVIKAEP-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03333;MM03333;CC(C)ONC(=O)C=O;WEEQCRCWUUDROB-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43823;MM43823;C=C(C=O)OCC(C)O;PIESWPHLRPOJOQ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43824;MM43824;C=C(C#N)OCC(C)O;MXXNXYGHVVVBSC-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43825;MM43825;CC(O)COC(=O)C#N;UKKLEXPRHXQWPC-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43826;MM43826;CC(F)COC(=O)C#N;JUJZUYLJGLGPCN-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43827;MM43827;CC=NNCC;ZVIGWRFKAYDBHV-UHFFFAOYSA-N;86.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43828;MM43828;C#CC(O)(C#CC=C)CN;XZTFMSVZNSLMIV-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43829;MM43829;CC=C(C)NC(=NO)NO;XGVCBEBZBPGPPT-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43830;MM43830;C#CC(C)(O)C#CCNC;WODRNOYQHMRPRY-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43831;MM43831;C=CCCNN=C;RCZYURQEORSXEM-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43832;MM43832;CCN(C=CCN)C=NO;RNRKMCOZADTJNM-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43833;MM43833;CN=CNN=CC#N;GHRZNXZFPRTELB-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43834;MM43834;C=CC(=C)CNCC#N;PEWIVFBGLFCRGT-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43835;MM43835;C#CC(=O)NOC(C)C;HRDITUMGFFXPRC-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43836;MM43836;C=NN(C(C)=N)C(C)=N;MFZBVTFWYFRKFR-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43837;MM43837;C#CC(=C)OCC(C)O;VVUBXTVASQUENW-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43838;MM43838;C=COCC(C#N)NC;PGBINOPWIUEKDV-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43839;MM43839;C#CC(=O)OCC(C)O;KGWTWQDYVCAJAF-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43840;MM43840;CNC(=NOC)C(O)CO;QIZNOYYDDXLQQI-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43841;MM43841;C=C(C)C(=O)N(C)C(C)=N;QRMIFXBMFOKDFJ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43842;MM43842;C=C(CO)CCC(=O)O;RRTYQDULZDWIQO-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43843;MM43843;COC=CN(N)C=NC=O;VTOCSKJNBMFSGZ-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43844;MM43844;C=C(C)CCC(=O)CO;ILUTUZBYLLSZTG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43845;MM43845;CCC(=O)CCC(N)=O;JLHFXRQYPGSFGJ-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43846;MM43846;CCC(=O)CCC(=O)O;CLJBDOUIEHLLEN-UHFFFAOYSA-N;130.14;0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43847;MM43847;C=C(F)CCC(=O)CO;VEYBCTNKNKMJDJ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43848;MM43848;CC(C)C=NN;CZOKFYPCWOVPPH-UHFFFAOYSA-N;86.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43849;MM43849;CCC=NN(C)C(=N)CO;MNJJLSVPZJLGEN-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43850;MM43850;N=C(CO)NN=COC=O;OWFHOSAEOAVPNO-UHFFFAOYSA-N;145.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43851;MM43851;COC(=O)CCC(C)=O;UAGJVSRUFNSIHR-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43852;MM43852;CCCCC=NN;KSLPENWRZCGAPV-UHFFFAOYSA-N;100.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43853;MM43853;C=C(CC)CNC(N)=O;ONECUOYDJAZFMN-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43854;MM43854;CCC(=O)CNC(C)=O;HAPUMNHJBQZMBX-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43855;MM43855;C=C(CNC(C)=O)OC;ABBJCCQHYYFBOI-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43856;MM43856;CC(C)NC(=N)C#N;UNPHOJPCUAKGOV-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43857;MM43857;C=C(CO)COC(C)=O;LWLUFJGAGLMMIR-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43858;MM43858;C=NN(CC)C(C)C;SDQFYHTVNVMDON-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43859;MM43859;C=NOC(C#N)CN(C)C;HJLXFWVQNNXUHO-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43860;MM43860;CCC(=O)COC(C)=O;LHGWJCBYBIICPP-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43861;MM43861;CC(=O)OCC(=O)CF;YKCRRYAIRGEYPO-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43862;MM43862;C#CC(=O)ON(C=N)C=N;VEBSMQOKVLQKEQ-UHFFFAOYSA-N;139.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43863;MM43863;C=C(C)OCC(=O)NC;MHJBTOGHFLTFDH-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43864;MM43864;CNN=CNC(C#N)CO;NHSZOCKQHYTUHQ-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43865;MM43865;C=C(C)CNC(=O)CO;ZJOYHRYFXQDSGJ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43866;MM43866;C=CC(C)=CC(C#N)NC;GIMXVYRCWZJVMB-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43867;MM43867;CCCC(N)C=NNC=O;DOJAHKZWUJUQPO-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43868;MM43868;OCC(=CF)N=CNO;HRLZCPDUPHDXEP-UHFFFAOYSA-N;134.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43869;MM43869;C=C(C)CNC(=O)NC;MSIIVXZKYQDUKZ-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43870;MM43870;COC(=N)N(C=N)CC#N;DBWDSAWOIXURKI-UHFFFAOYSA-N;140.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43871;MM43871;C=C(C)CNC(=O)OC;ZFUPDVXHDIOJDL-UHFFFAOYSA-N;129.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43872;MM43872;CC(=O)NN=C(N)CF;QMUUKICUWLAGQZ-UHFFFAOYSA-N;133.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43873;MM43873;C=NN=C(OC)C(O)CN;RUURXKPIEAVFOA-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43874;MM43874;C=CN(O)C=NN(C)C;VAIVWKQWKUMLCM-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43875;MM43875;C#CC(N)C(C)(O)C(C)C;RCISDDNOPANPGQ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43876;MM43876;CNC(=O)NOC(C)=O;AZTCUBUUPXOFAG-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43877;MM43877;C#CCN(C=N)OC=O;LPWCGDKZVGSTQI-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43878;MM43878;C=CC=NN;FJOHZGNAXVQGAE-UHFFFAOYSA-N;70.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43879;MM43879;N=CN(C=CF)OC=O;QCHNMVLXPWKUJO-UHFFFAOYSA-N;132.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43880;MM43880;C=C(C)C(=C)C(C#N)NC;OKGGYYGQKAFTNF-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43881;MM43881;C=C(C)COC(=O)CO;GLYUBZYZBOAVGK-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43882;MM43882;CCC(=O)OCC(C)=O;QCSKTFWPHGNBOR-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43883;MM43883;C#CC=CN(N)C=NC=O;UBSDVTYOZWZDFK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43884;MM43884;N=CN=CN(O)C(=N)N;ABACLCVPDCLBFV-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43885;MM43885;CCN(C=NC)N=CC=O;GTZPGUXURFIOPC-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43886;MM43886;CON=C(N)CC(=O)C#N;GIPPHFYVIJSNDY-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43887;MM43887;CNC(=O)OCC(=O)O;CMCWKGQJQKZTQA-UHFFFAOYSA-N;133.1;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43888;MM43888;C=C(C)COC(=O)OC;RIWCJNDORYUVSZ-UHFFFAOYSA-N;130.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43889;MM43889;COC(=O)OCC(C)=O;UJNPJDAAVWOBMY-UHFFFAOYSA-N;132.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43890;MM43890;CCC(=O)ONC(C)=O;ZKNOYFPDPIUPAQ-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43891;MM43891;C#CC(N)C(C)(O)CC=C;OVXUCRWXFZBZID-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43892;MM43892;CC(=O)NOC(=N)NO;JHVQKZFVAKCYSR-UHFFFAOYSA-N;133.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43893;MM43893;CN(CCO)C(C)(C)C#N;JRNZIUOTSQHEME-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43894;MM43894;N=CN=C(NO)NC=N;FOUSSAPHCOWZRW-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43895;MM43895;C=CC(C)N=C(N)C(N)=O;JORIMVPAWLFNFS-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43896;MM43896;CNC(=O)ONC(N)=O;RIVHOUWYOPPRIC-UHFFFAOYSA-N;133.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43897;MM43897;C=C(C=O)CCC(C)=O;TWBNRAVQZHOYBW-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43898;MM43898;C=C(C#N)CCC(N)=O;YUXLLXCQMUGAKE-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43899;MM43899;C=C(C)CCC(=O)C=O;OZGQYVWSLXSQRO-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43900;MM43900;C=C(C)CCC(=O)C#N;RWZSSHRYGDZDJB-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43901;MM43901;C=CC(=O)CCC(C)=O;FSNYLYRQGAASLZ-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43902;MM43902;CC(=O)CCC(=O)C=O;YEJDUVJLIVLCFZ-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43903;MM43903;CC(=O)CCC(=O)C#N;IAMFGWCPLMJYTH-UHFFFAOYSA-N;125.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43904;MM43904;O=CC(=O)CCC(=O)O;YHUFRVYVNKGICT-UHFFFAOYSA-N;130.1;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43905;MM43905;C=C(F)CCC(=O)C#N;QWQTYMIVJHBJKB-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43906;MM43906;CN(C)C(CO)=NN;UJBRTVNLFSFUCE-UHFFFAOYSA-N;117.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43907;MM43907;C=C(C#N)CNC(C)=O;YWKIEURRMMGIMW-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43908;MM43908;CCCC=NN;VDQKXPPTYHGNGW-UHFFFAOYSA-N;86.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43909;MM43909;C=CC(=C)CNC(N)=O;LDIFASGLGPGCBY-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43910;MM43910;C=CC(=O)CNC(C)=O;IBFPKXBZQZEWGJ-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43911;MM43911;N#CC(=O)CNC(N)=O;ANIDDOSFSNVIQC-UHFFFAOYSA-N;127.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43912;MM43912;C=C(C#N)COC(C)=O;PBFLNNAACRDTIN-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43913;MM43913;C=NN(C)C(C)C;ICQKMAQYUQMYSH-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43914;MM43914;C=C(C#N)COC(N)=O;JSJXSPMSZYPQSW-UHFFFAOYSA-N;126.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43915;MM43915;C=C(C)OCC(=O)C=O;KFUFYUYFKSLQFP-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43916;MM43916;C=NN(CC)CC;ZTLZQVMNFGEQRQ-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43917;MM43917;CC(=O)CNC(=O)C=O;ZZNMHHSCPCJRQG-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43918;MM43918;N#CC(=O)NCC(N)=O;QFJZXTCPDFOYTD-UHFFFAOYSA-N;127.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43919;MM43919;C=CC(=O)NCC(=O)O;LZCXCXDOGAEFQX-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43920;MM43920;CC(=O)NN=C(N)C=O;FUMRDQNYSYOOAG-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43921;MM43921;CC(=O)NN=C(N)C#N;UEJWMKKHBHBKHR-UHFFFAOYSA-N;126.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43922;MM43922;CC(C=O)NC(=N)N(C)O;SMMPEGBPQFJKBB-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43923;MM43923;NC(=O)NN=C(N)C=O;YIZREQIJRFKXNM-UHFFFAOYSA-N;130.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43924;MM43924;COC(C)(C)C(=N)NO;XSSXYTZTTODYLT-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43925;MM43925;NC(=O)ON=C(N)C=O;DANBCFOCNBGEOZ-UHFFFAOYSA-N;131.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43926;MM43926;C=CC(=O)NOC(N)=O;VHKMXRAMUNXTJD-UHFFFAOYSA-N;130.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43927;MM43927;N#CC(=O)NOC(N)=O;PNAQPTFTPFEHTP-UHFFFAOYSA-N;129.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43928;MM43928;C=C(C=O)OCC(C)=O;VNZBBYMHXUBMFM-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43929;MM43929;CCN=C(N)C(=O)OC;TZANUCHVGGIRQR-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16168;MM16168;C=C(C#N)OCC(=O)O;QONCYVDNWDAHEX-UHFFFAOYSA-N;127.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43930;MM43930;CC(=O)COC(=O)C#N;ZKELXXPOZCNJPT-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43931;MM43931;N#CC(=O)OCC(=O)O;VKCSLPPPJXTXST-UHFFFAOYSA-N;129.07;-0.86;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43932;MM43932;C#CC(=C)CN(C=N)N=C;JNZRXXZCFWEUNX-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43933;MM43933;CN=CNN=C(C=O)CF;CBKCZGIJZMGVIZ-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43934;MM43934;CC(=O)NOC(=O)C#N;YDVXDCACOFYBKM-UHFFFAOYSA-N;128.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43935;MM43935;C=CC(=O)ONC(N)=O;AJUIEYXPANEMOX-UHFFFAOYSA-N;130.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43936;MM43936;N#CC(=O)ONC(N)=O;VPJVBYICGBOFRM-UHFFFAOYSA-N;129.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43937;MM43937;C#CC(=O)CCC(C)=O;FPARIOYLFDWWOZ-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43938;MM43938;C#CC(=C)CNC(C)=O;FZZIKZVUAVJYCN-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43939;MM43939;C=CC(CNCC#N)OC;UDTJISUINOFVEV-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43940;MM43940;C#CC(=C)COC(N)=O;ICNMYMPKRIERLX-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43941;MM43941;C#CC(=O)COC(C)=O;HOYKVDAWRPEANK-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43942;MM43942;C=NN=C(C#N)NC=N;HOIGAZYINDYAQO-UHFFFAOYSA-N;123.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43943;MM43943;C=NN=C(C)N(C=N)C=N;LUXJSWLUWURYPP-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43944;MM43944;C#CC(=O)NCC(=C)C;GHRZKCZANIDZBN-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43945;MM43945;NCC(F)(F)F;KIPSRYDSZQRPEA-UHFFFAOYSA-N;99.06;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43946;MM43946;C#CC(N)=NNC(C)=O;RPRUBUQCKDIBIZ-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43947;MM43947;C#CC1NC1C=C;ZEMIYUMWVNANNV-UHFFFAOYSA-N;93.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43948;MM43948;CC(=O)C(C)=CC(=N)NO;SHLUWJZSBHPULG-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43949;MM43949;C=CC(C)NCC#N;NVRXYGGOOJLBQT-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43950;MM43950;CCC(C)(F)C(N)CO;YFXJVWNBCJVNGS-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16380;MM16380;C#CC(=C)OCC(=O)O;UTPYKLUJWKCGMK-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43951;MM43951;C#CC(=O)OCC(C)=O;MRDWHHJJDXENJG-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43952;MM43952;C=NNC(C)(C)C(C)C;LSPPWZRGSDODJX-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43953;MM43953;C#CC(=O)OCC(=O)O;DJZFPWLBARFWLC-UHFFFAOYSA-N;128.08;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43954;MM43954;C=C(C)CN(C)CC#N;UFEFDRBURGOYSW-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43955;MM43955;C#CC(=O)ONC(C)=O;AHYIVOQRPAUTNS-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43956;MM43956;COCC(C)NCC#N;DTPZJTPDXDNGKV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43957;MM43957;CN(C)C(C)(C=O)CC#N;WQONGFIBPMHAGB-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43958;MM43958;COCC(=NOC=O)NN;RNRDBALWOVMPNO-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43959;MM43959;CC(=NN(C)C=O)N(C)C;PDMKDUAGWVDITD-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43960;MM43960;CC(=O)C1CN1;RJIYMPFFAZHLOU-UHFFFAOYSA-N;85.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43961;MM43961;CCON(C)C=NNC;KZDCMWFXMAYSBS-UHFFFAOYSA-N;131.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43962;MM43962;C=NNC(C(C)C)C(C)C;SAPAIWFELZXXON-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43963;MM43963;CC(=CN)C(C)=NOC=O;FJMWDSNLKXNQHI-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43964;MM43964;CCCON(C)C=NNC;STBLFURPIQMETR-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43965;MM43965;C#CCN(N=C)C(=N)CC;IAJQOSKUTXEVHL-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43966;MM43966;CC=NNC;WIMYYXRANPYBED-UHFFFAOYSA-N;72.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43967;MM43967;C=CCNC(C)C#N;KSFCWOUDDSXQPF-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43968;MM43968;CC(CCC(=O)O)=NN;KOSBJABTJOLSTA-UHFFFAOYSA-N;130.15;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43969;MM43969;CC(CCC(=O)O)=NO;AESJFNDOKWHJAH-UHFFFAOYSA-N;131.13;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43970;MM43970;CC(C)OC(=NN)NN;LFQRXGDEGWXOIF-UHFFFAOYSA-N;132.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43971;MM43971;CC(=O)NCC(C)=CF;RNTUQUQLMUJKRK-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43972;MM43972;CC(C)N(C)C(=N)C#N;LIFMQHDHRQJCKR-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43973;MM43973;COCCNC(C)C#N;ZNTNAKKRJPYHPA-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43974;MM43974;C=NNC(C)C(C)CC;QMBQKMNUZJPMSF-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43975;MM43975;C#CCN(N=C)C(C)=N;ISFOJEOJMQTEKN-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43976;MM43976;CCCNN=CN(C)OC;IDZGEMXORGHGSS-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43977;MM43977;CC=C(C)OCC(N)=O;YJLBORQWMYAVHO-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43978;MM43978;CC(=O)COC(C)=NO;RXAUAOKIVJTPDE-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43979;MM43979;C#CC(=NN)N(C=N)OC;BGMPCUGFNPUWMZ-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43980;MM43980;CC(=O)NOC(C)=NO;SJRCIOVDPCPLII-UHFFFAOYSA-N;132.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43981;MM43981;NN(C=CCF)C=NC=O;BBQBTKYVUDZZML-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43982;MM43982;C=NN=CN(N)C=COC;BFUDIXAMGOZYIQ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43983;MM43983;CCNC(C#N)COCC;ZBSRFMXFPACNDF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43984;MM43984;CC(O)C=CC(O)CF;VAZGOAMXGDBICL-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43985;MM43985;CON=CN(C=N)CC#N;NQJPBFVWBWAVRM-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43986;MM43986;CNN(C(=N)C#N)C(C)C;HKNJLGXNEJSNTO-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43987;MM43987;CON=CC(OC)=C(N)N;XLLBYODBBZVBBV-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43988;MM43988;C=CCNCC(=C)CO;IOMVCMFDYFPYSL-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43989;MM43989;NN=CC1CN1;QKNHHRALWMPJCI-UHFFFAOYSA-N;85.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43990;MM43990;C=NNC(C)(C)CC;XDDYOJZWZNASLE-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43991;MM43991;CNC(C=NOC)=NN;CYIOOWBFRUQVLM-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43992;MM43992;CC(C)(F)C(=N)NC=NN;BCPKBBMKIVJVBR-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43993;MM43993;CC(F)(F)C(=N)NN;GYAZIPSYZXTFFF-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43994;MM43994;Cc1cc(=N)nco1;QDAGKEZFMHRUOR-UHFFFAOYSA-N;110.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43995;MM43995;CC(C)(C#N)C(=O)C(=N)N;FXBJTJBKYMKETF-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43996;MM43996;C=CC(C)(C#N)NC;YBOOVKVGBVGINA-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43997;MM43997;CC(C)NCC(C#N)C#N;OBEIEGREUKRBEX-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43998;MM43998;CNC(CF)C(C)CO;JWKJBPOMYOOEBD-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM43999;MM43999;C=CN(N)C=NC=O;SRTZQFHTASGPSK-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44000;MM44000;CC(C)=CC(C)NCC#N;CGKLEBUADAZZEH-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44001;MM44001;CCNC(C)C(C#N)C#N;NPMUABCWYCZKFB-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44002;MM44002;C=CNC(CC(C)O)=NN;PSPUNTZTUMCVBD-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44003;MM44003;COC(C)CN(C)CC#N;BXMLISHXRYVZRI-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44004;MM44004;NC=C(C=NN)OC=NO;MEEYCTLYSVSZMC-UHFFFAOYSA-N;144.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44005;MM44005;CC(C)C=CC(O)C=O;ANFUTKVRTLWTSJ-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44006;MM44006;CNC(C)C(=CCO)OC;LLRIVRZFNOKEPL-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44007;MM44007;C=CC(O)C=CC(C)O;IPHVQRXQVDEAME-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44008;MM44008;CC(O)C=CC(F)C#N;MKTTYDBGDYFPRO-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44009;MM44009;CNC(=NNC=O)N(C)N;RRCXXHJNOFNCMH-UHFFFAOYSA-N;145.17;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44010;MM44010;C=COCC(C)NCC#N;KUJUEPGRVAMJKV-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44011;MM44011;C=CC(OC)C(C#N)NC;XGGIEAKGDWRULT-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44012;MM44012;CC(C)C=CN(O)C=O;HNMFQHDSKVUTDF-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44013;MM44013;CCONC(=N)C=NO;DIQMWGCSKOUEET-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44014;MM44014;CC(F)C=CN(O)C=O;JLSYSIAKKZAWRW-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44015;MM44015;C=NN(C)CC;KJFMKLLMEFGTQQ-UHFFFAOYSA-N;86.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44016;MM44016;C=NNC(C)CCC;NVGQTUUBKWFIEM-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44017;MM44017;C=NNC(C)C(C)C;QEQLNTZTDLVIMN-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44018;MM44018;COCCC(C=CN)=NO;CFSVHLIPFOUSII-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44019;MM44019;NC=CC(CCCF)=NO;LMTJRIFUAKRDTG-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44020;MM44020;C=NNC(CC)CC;QRHRCHGTAZRGSE-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44021;MM44021;C=C(C=O)NC(=N)CF;HSPJULBNNIOFJD-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44022;MM44022;COC(=N)NOC(C)=O;YWPWPSJMGHSACV-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44023;MM44023;N#CCNCCC(F)F;BHEKTEWCIXNTMD-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44024;MM44024;C=CCC(C=CN)=NO;LSYALCCCAFPJFW-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44025;MM44025;CN=C(N)C(=O)C(C)C;LWOHZYHULIOCFI-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44026;MM44026;C=NNCC(C)C(C)C;FUIQGPCDNPAYNN-UHFFFAOYSA-N;128.22;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44027;MM44027;CC(=NC=O)N(N)C=CF;QQISACIYEJUYQG-UHFFFAOYSA-N;145.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44028;MM44028;CC=C(C#CCN)CO;GALZNXSVXOXQCB-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44029;MM44029;CNC(CCO)C(C)F;PXHGNKDMUCQRSD-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44030;MM44030;C=CN(N)C(=NC)ON=C;WANJOSTUMCLQQW-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44031;MM44031;C=COCC(C#N)NCC;QDHHDKDVYWWTKE-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44032;MM44032;CC(C=CC(=O)O)CO;DSXOAPZPNRTQIV-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44033;MM44033;C#CCC(=C)C(C#N)NC;BIRYCXMULVNYJT-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44034;MM44034;C=CC=C(C#CCN)CO;XWDLGIQUTMMKGD-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44035;MM44035;CCC=NN;IKZWQDXMCQQSLL-UHFFFAOYSA-N;72.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44036;MM44036;CC(N)C(F)C#CCCO;WXWNLQCSVYXHAL-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44037;MM44037;C=NNC(C)(C)C;LWJSHRJDNQOSDB-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44038;MM44038;CCC(=NO)C(=NN)NC;GXYYYAINTTZCAR-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44039;MM44039;CCN(O)C=NC(C)=O;PQWPSIUYJSTYTM-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44040;MM44040;CNC(CC=COC)=NO;YFYLWNSUNLYIAV-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44041;MM44041;C=NNCC(C)(C)C;BTJKHUACSVMRIV-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44042;MM44042;C=NNCCC(C)C;YAPBECSYBZHOMU-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44043;MM44043;C=NNC(=N)C(O)CC#N;MYFUZFSUICUSOY-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44044;MM44044;CN=CN(O)C(=N)CC#N;LWGYJKLUYXLFMR-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44045;MM44045;C=C(C)C=CC(O)C=O;OCLXMTLEIMUVSB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44046;MM44046;C=CC(O)C=CC(=O)O;LMEHJXMMEVHZRM-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44047;MM44047;N#CC(O)C=CC(=O)O;YUAAZHDRUJIEGJ-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44048;MM44048;C=C(F)C=CC(O)C=O;KVOFPMDDSAVRJT-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44049;MM44049;C=CN(C)C(CO)=NOC;PWSKRLLYGZIHJB-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44050;MM44050;CN(C=O)C=CC(=O)O;PMUQJCNATUKBNK-UHFFFAOYSA-N;129.12;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44051;MM44051;C=NNCC(C)CC;AUDUQZNMDVJSGN-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44052;MM44052;C=NNCCCCC;KPCSFXUDGYOFJY-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44053;MM44053;CC(C)N(CC=O)N=CN;RLOLJQDAPOLYDW-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44054;MM44054;O=CN(O)C=CC(=O)O;VWZLERQFJMRFBG-UHFFFAOYSA-N;131.09;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44055;MM44055;C=CNC(CO)=NOC;KBSRTMZZIGWEMT-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44056;MM44056;C=NN(C)C=CC(=O)O;VINHKGRGIXRIFX-UHFFFAOYSA-N;128.13;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44057;MM44057;CNC(C)(C#N)COC;NNEMGYCOSWNQHL-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44058;MM44058;CN=CN(C)N=COC;YKOGHEZIHKQCOF-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44059;MM44059;C=CN(O)C=NC(C)=O;BAXVJGIPMHJGLF-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44060;MM44060;COCC(C)N(C)CC#N;OUZXPKQGFRJQIF-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44061;MM44061;N=C(N)C(=O)C#CC=CF;CEJRLNAXXNSEPY-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44062;MM44062;CCC(=N)N=CN(C)OC;QUIROQYDNOLNID-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44063;MM44063;C=CC(C)N(C)C(=N)C=O;CXEDITQSEYHQIB-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44064;MM44064;C#CC(C)C=CC(=O)O;HWMVPGIJUDOQQP-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44065;MM44065;C#CC=CN(N)C=NN=C;HWDKKKBLKLGGRO-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44066;MM44066;CCN(O)C(=NC)OC;OQSJWOMSSFMCIX-UHFFFAOYSA-N;132.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44067;MM44067;C=C(C=CC(C)O)CO;OKTCYONTIMVLRZ-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44068;MM44068;CC(C)C=CC(=O)CO;YCQLPQRPHOXPSK-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44069;MM44069;CCC(=O)C=CC(C)O;CPMIUWPZZHMLEY-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44070;MM44070;CCCN(C=NC=N)OC;BLDIQLFVXILDHS-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44071;MM44071;CCC(=O)OC(=N)NO;NEELIIZIHYDRDZ-UHFFFAOYSA-N;132.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44072;MM44072;C=CC=NN(C=N)CCF;SCHWLHKGLSADIZ-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44073;MM44073;C=NNC(C)CC;IECRGEJFKUXKKM-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44074;MM44074;N=C(N)C(F)=C(F)F;SEDTTZQBDWQURB-UHFFFAOYSA-N;124.07;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44075;MM44075;CNC(C#N)CC(F)F;QDUONFKAAQEXGW-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44076;MM44076;CN(C)C=NN=CN(C)C;AYTAYKXVFZPRAF-UHFFFAOYSA-N;142.21;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44077;MM44077;C=C(C)C#CC(=O)C(=N)N;VLESQEMEGPJVJI-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44078;MM44078;CC(=CCF)CNCC#N;HXNJEPGWGFNRGO-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44079;MM44079;C#CCNN=CN(O)C=C;HMZZSQJDKXFMLQ-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44080;MM44080;CNN=C(NO)NCC#N;BVCISOBONGPWSU-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44081;MM44081;CN(O)C(CCF)=NC=N;OPOQNYFQQBUVPU-UHFFFAOYSA-N;147.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44082;MM44082;CCC(=O)N=CN(C)O;YUKOGQOJJZAJLU-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44083;MM44083;CN(O)C=NC(=O)CO;XXSOHHCVJLPOAJ-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44084;MM44084;CN(O)C=NC(=O)CF;OFCYHAWUTPIYSJ-UHFFFAOYSA-N;134.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44085;MM44085;C#CC(C)NCC(F)C#N;RHHYUPZEQPTGMS-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44086;MM44086;C=CC(=N)N=CN(O)CC;PUIZUSKCQDLAQE-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44087;MM44087;CC(C)N(C)N=CN(C)O;SHZCIVPTEMSFFM-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44088;MM44088;C=NN=CN(C=N)CC#N;ZPVWGBZAMBDXES-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44089;MM44089;CC(C)=C(C#CCN)CO;RYPWVNKVCYWQIV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44090;MM44090;C=CC(O)C(=C)C#CCN;HCNDISJKWIESGA-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44091;MM44091;CC(C#N)NN=CN(C)O;JWXLVWGCUUQQQH-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44092;MM44092;CN(C)C=NC(=O)NO;VKGUJMRGJLINKO-UHFFFAOYSA-N;131.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44093;MM44093;CNC(=O)N=CN(C)O;NOTNNRDGRFAIKA-UHFFFAOYSA-N;131.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44094;MM44094;C=NNCC(C)C;ODNSVLBZYDAPGA-UHFFFAOYSA-N;100.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44095;MM44095;CCN=C(C=O)NC;CEMKCFOCFQPETE-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44096;MM44096;C=CC(=O)C=CC(C)O;XFATZHAEJKDMOB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44097;MM44097;CC(O)C=CC(=O)C=O;HFQAMEQFGOSXDO-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44098;MM44098;C=CC(=O)C=CC(C)F;CQVDPJGSYBBFLZ-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44099;MM44099;CC(C=CN)=NOC=O;XSUJACZKQQHBDS-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44100;MM44100;CN(C)C(=O)N(C)C=N;BMTXKHZLGFIAII-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44101;MM44101;C=CC#CC(=O)C(=N)N;MEFKNJBTBDLUBM-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44102;MM44102;C=CCCNC(=N)C#N;PLTLLBYXXJWCNJ-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44103;MM44103;C=C(CC)C(C#N)NC;DOPPQTFNCWMXND-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44104;MM44104;CC=C(C)C(C#N)NC;QRHNLJHUFCIOPR-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44105;MM44105;C=COCC(C)(C#N)NC;KEHSUNNCJYLWTN-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44106;MM44106;N=CN=CN(N)C=NC=N;ZAWHLIKUXPYKHV-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44107;MM44107;C=NNCCCC;VKWXGAKBFWWXCW-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44108;MM44108;CC(C)=C(C#N)N=CNO;DLALFGCYBFHLMQ-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44109;MM44109;CC(C)NC(=NC=O)NN;LKABEDHEFLUSCE-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44110;MM44110;C#CC(F)(C=O)C(=N)N;LSRIXCQXZBPMCL-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44111;MM44111;N=C(N)C(=O)C#CCF;VWPRQWRGNWRRRH-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44112;MM44112;CN(O)C=NC(=O)C#N;XUJLOZNRWZHFDZ-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44113;MM44113;C#CC(=O)C=CC(C)O;LLHQNBFECTVOTB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44114;MM44114;COC(C)CNCC#N;QFTUSNOJRDGKCZ-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44115;MM44115;CC(F)C#CC(=O)C(=N)N;RBODADGEOGIVJX-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44116;MM44116;CON=CNC(C)=CCO;VCGHXOUBIOQVBR-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44117;MM44117;C#CC(=C)N=CNCC=O;HFFOQAWPDQXZJS-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44118;MM44118;CCNC(C)(C#N)CCO;GBZZFYHLXNINEO-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44119;MM44119;CC(C)(C#N)NCCCO;ISZDHKLFUQNSBV-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44120;MM44120;C=C(C=CC(C)=O)CO;SFLXJKMGARGNEI-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44121;MM44121;C=C(C=CC(=O)O)CO;SFNSJXICNQDRKC-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44122;MM44122;C=C(C)C=CC(=O)CO;UEGLTMIGWCOXJT-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44123;MM44123;CC=NN=C(C#N)NC=N;PUDWVQSJLYNQCF-UHFFFAOYSA-N;137.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44124;MM44124;COC(=O)C=CC(C)=O;GLVNZYODMKSEPS-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44125;MM44125;C=CC(=O)ON(C=N)C=N;IGOBVTXXNYJRAT-UHFFFAOYSA-N;141.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44126;MM44126;CC(C#N)(C=O)NN=CN;BSLOSSCGIJNDLD-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44127;MM44127;C=NN=CC(=N)N(C)OC;QAEGWGQMKPAJDC-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44128;MM44128;C=CN(C=NNC)OC;QNCFLIGIDUAFGP-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44129;MM44129;C=CCOC(=NN)NN;UYWDZUIUPLRGBP-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44130;MM44130;CC(=O)C=CC(=O)C=O;RFTMILUWMDIPHH-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44131;MM44131;CC(=O)C=CC(=O)C#N;KTCUMIOIDPFNNG-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44132;MM44132;C=NNC(C)C;OOEKYYKKYLLGFV-UHFFFAOYSA-N;86.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44133;MM44133;N#CC(=O)C=CC(N)=O;PMYKDQZFSOQICU-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4,5-dioxopent-2-enoic Acid";MM03276;O=CC(=O)C=CC(=O)O;HBMMAQRLOYJZIL-UHFFFAOYSA-N;128.08;-0.6;85795565;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44134;MM44134;C#CC(=O)C=CC(C)=O;MZAVIPIRWIJZPC-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16210;MM16210;C#CC(=O)C=CC(=O)O;CHCUKBCJHIEZPG-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44135;MM44135;CC=CCOC(=NN)NN;QFSXJHBVFRKJBR-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44136;MM44136;CC(=NN=CN(C)N)NN;MXXIRXUFROEARV-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44137;MM44137;C=CN(N)C=NN=C;ZNSYXGHDHDCECD-UHFFFAOYSA-N;112.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44138;MM44138;C=CCCNCC(C)=O;BFOCBSYHRYHBNS-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44139;MM44139;CC(N=CN(C)O)=NO;NWGIHRVMAUMNFA-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44140;MM44140;C=CC=CNC(=N)C=O;QFBOOLRJFHOAEV-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44141;MM44141;CC(=O)C=CC(C)=NO;MICNRQOJVYIMME-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44142;MM44142;C#CC(NC)C(=O)OC;UYYBASHFCGSFLZ-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44143;MM44143;CC(F)C#CC(C)CF;JYEWNJKDHUONSS-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44144;MM44144;C#CC(=NC)N(N)C=NN;LRVAFPHQQWABDH-UHFFFAOYSA-N;139.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44145;MM44145;C#CCN(C)C(=N)ON=C;UJYVVGFGZXNKPZ-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44146;MM44146;CC(C)C#CC(O)CO;PDNWPYFWVBPNSL-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44147;MM44147;C#CCCNNC=NN=C;WSQSTCJURIDWAV-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44148;MM44148;CC(F)C#CC(O)CF;BSENNYOQRLKURF-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44149;MM44149;OC(C#CC(F)F)CF;PJVSQIIFHQNOOG-UHFFFAOYSA-N;138.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44150;MM44150;CC(O)C#CC(F)CO;UIABILOXOHLPEH-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44151;MM44151;OCC(F)C#CC(F)F;HLYBGVMCLHJBAR-UHFFFAOYSA-N;138.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44152;MM44152;C=CCCC(=O)C(N)=NC;FEZUALSXICTTBM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44153;MM44153;C=CN(N)C=NN=COC;GNJJIVLXPAFJLG-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44154;MM44154;COC(C)C#CC(C)O;OBJGWVXUZNEVPJ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44155;MM44155;CC(C)C#CC(O)C=O;HGEKFAMUXBYYAV-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44156;MM44156;C=CC(O)C#CC(C)O;XOTLEXHDDBVYCM-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44157;MM44157;CC(F)C#CC(O)C#N;KRQJBSFXWQKZQZ-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44158;MM44158;N#CC(O)C#CC(F)F;ZVWWETKTLIWSDJ-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44159;MM44159;CC(O)C#CC(F)C=O;SQXBQVPVPZHDRX-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44160;MM44160;CC(O)C#CC(F)C#N;GQSZOIHEGWQHAH-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44161;MM44161;C#CC=NN=CN(N)C=C;WPTWFDGFODOYNT-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44162;MM44162;C=C(C#CCN)C(C)(C)O;VVUDYWKZWFWXCB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44163;MM44163;CNN=C(C)C=NOC;MWENUHOSTWCBRK-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44164;MM44164;C#CC(O)C#CC(C)O;MWWODTYTHUKTGM-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44165;MM44165;CC(=O)C#CC(C)CF;DOCWSVSXCVJIKO-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44166;MM44166;CC(C#CC(=O)O)CO;SBAPWNULZPVFQE-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44167;MM44167;C#CC(=NOCOC)NC;WPNWMPXSBHMREJ-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44168;MM44168;CCC(F)C#CC(N)=O;CHJCQGVDUFGFKG-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44169;MM44169;CON=C(C)C(=CN)OC;MJBQAFMUIUSPNG-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44170;MM44170;COC(=NN)ON=CNN;UNQMZUVJQGCBNW-UHFFFAOYSA-N;147.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44171;MM44171;COC(C)C#CC(N)=O;JPJIRNQSVZPUPA-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16297;MM16297;COC(C)C#CC(=O)O;ATMJNNSIPVLDSI-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44172;MM44172;CNN=CC(C#N)=CN;JQYAODBDTTYIDT-UHFFFAOYSA-N;124.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44173;MM44173;CC(C#N)C#CC(N)=O;VRAMIZFVAHJWKQ-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16270;MM16270;CC(C#CC(=O)O)C=O;FYLPDRXNPRMKEO-UHFFFAOYSA-N;126.11;-0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44174;MM44174;CC(=O)C#CC(O)C#N;JLBKPCUMZGOTHY-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16278;MM16278;C=CC(O)C#CC(=O)O;LSKCWJWZZKNGEF-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02285;MM02285;CC(=O)C#CC(F)C=O;VQFFMYXWTIMHOK-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44175;MM44175;CC(N)C#CC(F)C(=N)N;YDPXFZKBHTVUEL-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44176;MM44176;C=CC(F)C#CC(N)=O;DMWPGBGDLWFQFB-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44177;MM44177;NC(=O)C#CC(F)C=O;IVNQBRMANJQEKO-UHFFFAOYSA-N;129.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44178;MM44178;N#CC(F)C#CC(N)=O;ISQHASBQXJCUPJ-UHFFFAOYSA-N;126.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16106;MM16106;N#CC(F)C#CC(=O)O;YYLBGUCEQIVHDY-UHFFFAOYSA-N;127.07;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44179;MM44179;C=NN(C)C;NDNVSJIXYFNRDR-UHFFFAOYSA-N;72.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44180;MM44180;C#CC(O)C#CC(C)=O;QQJYNBXDBGYEHJ-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44181;MM44181;C=NNC=NCC;HREMGPYTKCRUSP-UHFFFAOYSA-N;99.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44182;MM44182;C#CC(O)C#CC(=O)O;UKXXWJOVERWTKX-UHFFFAOYSA-N;124.1;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44183;MM44183;N#CCC1CN1;AEEMNIQEUMKAGY-UHFFFAOYSA-N;82.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44184;MM44184;C#CC(F)C#CC(N)=O;RWNCZMLHKNSDBG-UHFFFAOYSA-N;125.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44185;MM44185;CC(C=O)ON(C)C=N;FSYYEYOKYXECHK-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44186;MM44186;C=C(C#CC(F)F)CO;ZJBPWMXYZWLZNX-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44187;MM44187;CC(O)C#CC(=O)CF;JZQRSQUQAKWUJW-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44188;MM44188;O=C(C#CC(F)F)CO;CGXMKJIQVZXXOT-UHFFFAOYSA-N;134.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44189;MM44189;CC(C)CNC(=N)C#N;USAHDQXMJUXKKV-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44190;MM44190;CNC(C#N)C(C)OC;AJPVHIICQXUFSV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44191;MM44191;COCON=C(CF)NN;WAZCNYXTZKXKOS-UHFFFAOYSA-N;151.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44192;MM44192;CC(F)(C#N)C(=N)N;ABYBRMVCVIYRJT-UHFFFAOYSA-N;115.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44193;MM44193;C#CC(=C)N(C=N)N=C;SYZGJPBYZCEGEE-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44194;MM44194;CNC(C#N)C(C)=C(C)C;GSVKKXXNRYPRBM-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44195;MM44195;CON=C(CF)NN;KCVXNSLUNFLCHZ-UHFFFAOYSA-N;121.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44196;MM44196;C=CC(=NNC)N(C)C=N;LTWOGSKZTHSOFD-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44197;MM44197;CC(C)=CC(=NN)NC=N;YOYDWUCTWQQGDA-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44198;MM44198;CNC(=O)C#CC(C)C;MODVHDDRDZENIZ-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44199;MM44199;CC(F)C#CC(=O)NO;POTAPGULEUNPRP-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44200;MM44200;CNC(=O)C#CC(F)F;DNIGWMQDWMBBGO-UHFFFAOYSA-N;133.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44201;MM44201;NNC(=O)C#CC(F)F;SZYBZVZERKELSG-UHFFFAOYSA-N;134.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44202;MM44202;O=C(C#CC(F)F)NO;OAPDJCUMJWFREA-UHFFFAOYSA-N;135.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44203;MM44203;CC=NN(C=N)C=CC=O;FSJIGEXAJCLUQS-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44204;MM44204;COC(=O)C#CC(C)O;PNTKYLCBVBGCHR-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 4,4-difluorobut-2-ynoate";MM02308;COC(=O)C#CC(F)F;MXDKOAUTPKNDQZ-UHFFFAOYSA-N;134.08;0.43;11126304;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44205;MM44205;C=C(C#CC(C)O)C=O;NDHYAAQGAAIDIJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44206;MM44206;C=CC(=O)C#CC(C)O;VKGIIRGXQSZJGE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44207;MM44207;CC(O)C#CC(=O)C#N;KFHKLXMZVWLFDI-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44208;MM44208;C#CC(=O)C#CC(C)O;ZDEPKNOAXOWUQO-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44209;MM44209;C=C(C#CC(C)=O)CO;MZWNNTJQVKJNBW-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44210;MM44210;C=CCC(=C)C(C#N)NC;VFSBUNZSIICFPX-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44211;MM44211;C=C(C)C#CC(=O)CO;GIRVUKCNJXLWJO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16124;MM16124;O=C(O)C#CC(=O)CF;KMNNFHRLRRMAGU-UHFFFAOYSA-N;130.07;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44212;MM44212;C=C(F)C#CC(=O)CO;MIYLWYSESXEUND-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44213;MM44213;C=NNCCC;FTCNSOZLTSXRDR-UHFFFAOYSA-N;86.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44214;MM44214;C#CCC(C#N)N(C)C;HXQBIXRTHJYGBF-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44215;MM44215;CCON=C(CF)NN;KOZLUIZNLNVCFT-UHFFFAOYSA-N;135.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44216;MM44216;CCN(C=NC=N)OC;TZXJLBAUQNVSBB-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44217;MM44217;COCC(C)(C#N)N(C)C;AQSIRCQACPYLDC-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44218;MM44218;C=C(C)C#CC(=O)NC;YWLXGFWCBASYLK-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44219;MM44219;C=C(C)C#CC(=O)NN;YCXKLYGBGRAZST-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44220;MM44220;C=C(F)C#CC(=O)NN;MRKJNWUIWNODLF-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44221;MM44221;C=C(F)C#CC(=O)NO;FIZINTLJDATYIL-UHFFFAOYSA-N;129.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44222;MM44222;CCC(CNCC#N)OC;OSWRKBJTUJWFBK-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44223;MM44223;C=C(C#CC(N)=O)OC;XXEOOFKSRPKYHP-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44224;MM44224;COC(=O)C#CC(C)=O;NUDDIILDXRBIBP-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44225;MM44225;COC(=O)C#CC(N)=O;AQKCWIBXLHFMFV-UHFFFAOYSA-N;127.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44226;MM44226;COC(=O)C#CC(=O)O;FSDQRHQVFPZDSO-UHFFFAOYSA-N;128.08;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44227;MM44227;Cc1cc(=N)nc(C)o1;YQPALQQGMJEPQZ-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44228;MM44228;CCN(C)CC(F)C#N;OBAMCPMWAJKYEO-UHFFFAOYSA-N;130.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44229;MM44229;C=C(C#CC(N)=O)C=O;BJEPEZMWANJODX-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44230;MM44230;C=C(C#N)C#CC(N)=O;SYZVUHJNCGYMMW-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16225;MM16225;C=C(C#CC(=O)O)C=O;DNEJSJBOQXGMEV-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44231;MM44231;CC(=O)C#CC(=O)C=O;RDILQQWTBMQGMD-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44232;MM44232;CC(=O)C#CC(=O)C#N;GRMAEJXBZYSSMK-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44233;MM44233;C=CC(=O)C#CC(N)=O;LLHCPKZGVOLMPF-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-oxohex-5-en-2-ynoic Acid";MM03121;C=CC(=O)C#CC(=O)O;FAGIDAPZWXXUNX-UHFFFAOYSA-N;124.1;-0.17;129669107;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16111;MM16111;O=CC(=O)C#CC(=O)O;YUUJMPYXEIINJX-UHFFFAOYSA-N;126.07;-1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44234;MM44234;CCCON=C(CF)NN;KZPPFOJQVMMHIW-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16103;MM16103;C#CC(=O)C#CC(=O)O;YBVXJUJZRBERMU-UHFFFAOYSA-N;122.08;-0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44235;MM44235;CON=C(NN)C(C)F;TUFXIUFWTVPQKX-UHFFFAOYSA-N;135.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44236;MM44236;CCC(F)C(=NOC)NN;YQQUJYQGGVANEM-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44237;MM44237;CC(C#CC(C)O)=NO;UIOHMEJLYVZGEW-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44238;MM44238;C=C(C)N(N)C=NC=O;ZYFNSEGUIHUKHE-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44239;MM44239;CC=C(C)C#CC(N)=O;ZJYMNYVBUCEPCD-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44240;MM44240;CC(C#CC(N)=O)=CF;VXZKMKSWRSJBJG-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44241;MM44241;C=NN=C(C#N)CNC;CTRRRHSBIYVZPU-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44242;MM44242;CN=C(CF)NCC#N;RUBJFCLTTPPNAF-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44243;MM44243;CC(=O)C#CC(C)=NO;ZIQAWENVJHGICN-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44244;MM44244;CN=CN(C)N=C(C)C#N;HEAWEXYHCDEWLP-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44245;MM44245;CC(C#CC(=O)O)=NN;WEWUAXVQOBCDJA-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44246;MM44246;CC(C#CC(=O)O)=NO;YZMQPMGCCXLXER-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44247;MM44247;C#CCN(N)C(=N)ON=C;XMQKCWRXBYCPLL-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44248;MM44248;NC=CC(CC=NO)=NO;HGSYHOVYYWRTGO-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44249;MM44249;C#CCC(=NO)N(N)C=C;AHHILVISDXNTKG-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44250;MM44250;CC(C)=CCC(O)CO;GVADAXGGMJUINS-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44251;MM44251;CC(F)=CCC(O)CO;SMYKFOQZBXXFRS-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44252;MM44252;C#CC(NC)C(=O)OC=C;FIWUVCHTKHJNQT-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44253;MM44253;C=CC(C)N(C=N)N=C;YVLVTMAICYBZLI-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44254;MM44254;C#CC(=CN)C(=N)NC=N;KBKVGKNOKLXYHH-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44255;MM44255;NNC(N=CNO)=NO;RSDUPMFUYHNYJR-UHFFFAOYSA-N;133.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44256;MM44256;CC=NN=C(NC)NC=O;APTLFEWJCKHENK-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44257;MM44257;CC(N)=CC(C)=NOC=O;SMWBLYBEXBVOJO-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44258;MM44258;C#CCNCC(C)(F)C#N;RMLKWHFERXLSES-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44259;MM44259;C=NOC(=N)NC=COC;XWPUOJSWDGWEHN-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44260;MM44260;C#CC(C)=CNC=NOC;ZLQKZPVCNBZTLN-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44261;MM44261;CN(C)CC#N;PLXBWEPPAAQASG-UHFFFAOYSA-N;84.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44262;MM44262;C=CC(COC=NN)NC;XSLIINNIALQMIL-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44263;MM44263;CC(F)=CCN(O)C=O;QKAGMHYFZURBIF-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44264;MM44264;CN(C)C=NOC=O;GFCMYFYOICJYNA-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44265;MM44265;N=CN(C=N)OC=O;XYIQGAOLXFOTLD-UHFFFAOYSA-N;115.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44266;MM44266;CC(C#N)(C=O)C(=N)N;MKAPENZWRSLZGK-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44267;MM44267;CNN=CN(C=NO)NC;BYKCEUUZQWZBNU-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44268;MM44268;C#CC=CN(N)C(C)=NO;UDWLHCPTGWKNLS-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44269;MM44269;C=CN(N)C(C)=NC=O;WLHRZHSCRPFPDA-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44270;MM44270;C#CC(CC(=O)C=C)NC;QSBKCKNGXNIWCP-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44271;MM44271;CNC(=O)NC=C(C)C;IMUAZATUVPSJAZ-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44272;MM44272;CC=NNC(=N)CC(C)N;IWFKBFYYZNLTQB-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44273;MM44273;CC(C)=CNC(=O)NO;ZIIBDICWIOASTL-UHFFFAOYSA-N;130.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44274;MM44274;CNC(=O)NC=C(C)F;LTPVUEALYHCBNB-UHFFFAOYSA-N;132.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44275;MM44275;CNC(=O)NC=C(F)F;UFCLNFQWGKDNIY-UHFFFAOYSA-N;136.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44276;MM44276;C#CCC(=N)N(C)N=CC;JFRMDQBXAHGSSM-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44277;MM44277;COC(=O)NC=C(C)C;RDNLSJXRIOXAAL-UHFFFAOYSA-N;129.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44278;MM44278;C#CCC(=C)N(N)C=NO;WONBKQVWMUTTER-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44279;MM44279;C=CN(C=C)C(=NO)NO;NXCXSSMSPYNBTB-UHFFFAOYSA-N;143.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44280;MM44280;C=CC(C)CC(C=O)NC;XDMHEXQUEZIIKV-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44281;MM44281;CC(C)=NNC(=O)NN;NPARDCFVZIQGGF-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44282;MM44282;CC(C)=NNC(=O)NO;ULSHUQAYAVKXKG-UHFFFAOYSA-N;131.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44283;MM44283;C#CCC#CC(=O)C(=N)N;KCSLHOIZHOSQAU-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44284;MM44284;CC(C)=COC(=O)CO;JNOPMUMZTMWKBP-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44285;MM44285;CN=C(N)C(=O)OCC#N;HABIOBQADHVEQP-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44286;MM44286;COC(=O)OC=C(C)C;YLEXWQYBQIUUNC-UHFFFAOYSA-N;130.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44287;MM44287;C=NNCC;SNGUVICEDCOQEU-UHFFFAOYSA-N;72.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44288;MM44288;C=C(C)CCC(C=O)NC;AYIGIZQKCCMTOO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44289;MM44289;CC=CCNC(=NO)NO;VBUGPSHITBOTDS-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44290;MM44290;C=CCCC(C=O)NC;BTKYKQWWULGPCL-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44291;MM44291;CC(C)=NOC(=O)NN;WESJPGPTOLIGQU-UHFFFAOYSA-N;131.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44292;MM44292;CC(C)=NOC(=O)NO;TVDHAOLPSWUCSI-UHFFFAOYSA-N;132.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44293;MM44293;CN=C(N)C=O;JRCRFSRRBIAALP-UHFFFAOYSA-N;86.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44294;MM44294;C#CC(=C)NC(=N)ON=C;YDRFDJASAKIAND-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44295;MM44295;CON=CN(C)NCCF;WYJMVLVUMQSBHE-UHFFFAOYSA-N;149.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44296;MM44296;CNC(C)(C#N)C(C)(C)O;CBIISCHBEWIDJL-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44297;MM44297;CC(=NC(=N)CO)N(C)O;WNGTXAQEIUZEPL-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44298;MM44298;CC(C)=NNC(=O)C#N;PMWOUIKPJRIIRO-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44299;MM44299;C#CCOC(=O)C(N)=NC;MOBYCMWYUBAQIU-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44300;MM44300;C=CN(N)C(=NOC)OC;VCMPUSIQGHTNGG-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44301;MM44301;CNN=C(NO)C(C)O;FMMZSNYWBNDCND-UHFFFAOYSA-N;133.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44302;MM44302;C#CC(=O)NC=C(C)C;KVHFQQHAHNCQQH-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44303;MM44303;CC=C(CN)OC=NO;CREQEHMZHOTWPA-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44304;MM44304;C#CC(=O)NN=C(C)C;KPGILJXEAVPAIK-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44305;MM44305;C=CC(=NC=O)N(N)C=C;JIHGDJNAKFYJRJ-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44306;MM44306;CC(C)=NOC(C)=NO;YYTUQJCHFUBOFS-UHFFFAOYSA-N;130.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44307;MM44307;COC(C)=NNC(=N)CO;BHRIQXBSSMBYKP-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44308;MM44308;C#CC(CF)NCCC#N;IWBSOECXKJPRAX-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44309;MM44309;CC=NN;SFYLHIMXJQGKGZ-UHFFFAOYSA-N;58.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44310;MM44310;CC(O)CC=C(F)CO;XHINNGLSLZGAAN-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44311;MM44311;CCCNC(=N)C#N;XSQPEROFCSFIMR-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44312;MM44312;CC(CNC(C)C)=NO;WHZLQNWVXDXZHY-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44313;MM44313;C=C(C)CNC(C)C#N;ZRQZSFNUHDZFDC-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44314;MM44314;NCC#CC=CC=NO;TUINICCKHDHSSP-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44315;MM44315;C=CCC#CC(=O)C(=N)N;WPHPAIYVRVEBRZ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44316;MM44316;C#CC(CC#N)NCCF;MBYKJRZGVKMGAP-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44317;MM44317;CC(C)N(C)C(C#N)CO;XNSDVUKRMTUOAS-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44318;MM44318;CC(C=O)=CNC(C)C;WFVFBCXBHMTKIY-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44319;MM44319;CC=CN(O)C=NNC;PHRWUIQDDYYYQF-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44320;MM44320;CC(=O)CC=C(C)CO;WMGQLYGRIDTLBZ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44321;MM44321;CC(=O)CC=C(C)CF;RTSPXHCIBPSTKB-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44322;MM44322;CCC#CC(=O)C(=N)N;KUJAEVCRWCUZGB-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44323;MM44323;CC(C)C#CC(=O)C(=N)N;WELBYWNKHZZUSK-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44324;MM44324;CC(=O)CC=C(F)CO;ZRPIIMPCQCJJPX-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44325;MM44325;C#CC(CCN(C)C)=NO;KYXUCOIOGZDEHS-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44326;MM44326;CCC(F)=CCC(N)=O;FRWFEYUXWLTLTA-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44327;MM44327;CC(C)=CN(C)C(=N)C=O;BAFCJYFFPSXGDY-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44328;MM44328;COC(C)=CCC(N)=O;GNSKOZXOILSWIE-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44329;MM44329;CC#CC(=O)C(=N)N;FLYNCFFNAPOHPY-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44330;MM44330;CC(=O)NC=C(C)CF;JQRSVUIKLZPTFS-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44331;MM44331;C#CC1(C)C(C)N1C;JTSPAJYFXPIQJZ-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44332;MM44332;C=NN=CN(N)C(=C)C;JMWLWVXBAMLQDA-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44333;MM44333;C=CC(C#N)(CC)NC;DZXBXZKDOSQTCL-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44334;MM44334;CC(=O)OC=C(C)CO;VYYACRHHFXRGMY-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44335;MM44335;C#CCN(C)CC(=C)C#N;OBUOSWCBCJWOLD-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44336;MM44336;CC(=O)OC=C(F)CO;FMYLZWJAMXZDCN-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44337;MM44337;C=CN(O)C=NN(C)CC;XVAYVXSHBZTCBS-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44338;MM44338;C=CN(O)C=NNCC#N;YTLNDAMDWUCIAX-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44339;MM44339;CN(CC#N)C(C)(C)CO;KGXPZFWMDGXXAY-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44340;MM44340;COC(C)=NNC(C)=O;YQWZKMYALITSAG-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44341;MM44341;CC(O)C(C)CNCC#N;SDNUIWUATGUORE-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44342;MM44342;COC(C)=NNC(N)=O;DDEQLIZSJYRMNA-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44343;MM44343;C#CC(CF)(CC#N)NC;PNQXAAUSYNUSNW-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44344;MM44344;CNC=CC(C)=NOC=O;OSHVXENIDBZPIL-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44345;MM44345;CC(CF)=NOC(N)=O;DURHXAOZMOUMBB-UHFFFAOYSA-N;134.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44346;MM44346;C#CC(NCC)C(=O)OC;XZRBTRQHEMXPEM-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44347;MM44347;C=CCN(C=N)N=CC=O;NYRKUVPMWLTNHO-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44348;MM44348;C#CC(=NN)C(=CN)OC;FCUJTDGACODPRE-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44349;MM44349;CC(C=O)=CCC(N)=O;VEOZQZMFYDZFCJ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44350;MM44350;CC(C#N)=CCC(N)=O;ZYHMLLBLQFBIPE-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16560;MM16560;CC(C=O)=CCC(=O)O;BYQFELJVVLJMDA-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44351;MM44351;CNNC(=N)C(C#N)C#N;YXDYDZPGMQCLDD-UHFFFAOYSA-N;137.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44352;MM44352;C=NN=C(NC)NCC#N;QSEFZHGISNTJFO-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44353;MM44353;CON=CCCNCC#N;QSVTVQQMKXKXCE-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44354;MM44354;C=CC(C)=CNC(N)=O;BNJCFZCBQPNAFR-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44355;MM44355;C=C(C)N(C)C(=N)C=O;RJTVKUHABLWCNO-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44356;MM44356;C=NN=C(N=CN)C(C)=O;VWKBHVKYOSFOIM-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44357;MM44357;CC(=O)OC=C(F)C=O;WTVOUYCJWCXGKH-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44358;MM44358;CNN=C(NC)OC=NN;KEKQKZGAIONQME-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44359;MM44359;CNC(C#N)C(=N)NOC;XIMBXFUXGLTIBJ-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44360;MM44360;C=C(F)C(O)C#CC(C)N;PZAKMYFGWRKUHL-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44361;MM44361;C=CC#CC(=NNC)NN;CDYAOXMNTUGSGH-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44362;MM44362;CCC(N)C=NNC(C)=O;DVVOSFSITARYBY-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44363;MM44363;CC(C#N)=NNC(N)=O;CGWXWGLJECEHEC-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44364;MM44364;C=CN(CC)C(=N)C=O;SMWOMVPJEKONDN-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44365;MM44365;C#CC(C)=CN(C=N)N=C;VAMIXUYOEXTKOW-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44366;MM44366;C#CC(=C)C(=O)C(N)=NC;RUAPOKBDZMWKRR-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44367;MM44367;CC(C=O)=NOC(N)=O;GLPLEZUARFVFLG-UHFFFAOYSA-N;130.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44368;MM44368;CC(C#N)=NOC(N)=O;SUDPPXYVEPCXFB-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44369;MM44369;C#CCC=CNC(=N)C=O;VYUOESAVDGRKDU-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44370;MM44370;CNN=CCCNCC#N;RWEXJOCYIHOKFY-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44371;MM44371;C#CC(C)=CNC(C)=O;OJWZDBKTGQFEEF-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44372;MM44372;CON=CN(C=N)C=N;VMSUUCGRDMZSFK-UHFFFAOYSA-N;128.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44373;MM44373;C#CC(F)=CNC(N)=O;MCAOYCOHKNFSNK-UHFFFAOYSA-N;128.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44374;MM44374;CC#CC(=O)ON=CNN;OOLSTLIXXDBBPY-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44375;MM44375;C#CC(C)=NNC(N)=O;PNSZZIUETDBENX-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44376;MM44376;C#CC(C)=NOC(N)=O;QSGXVAMTOODJEP-UHFFFAOYSA-N;126.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44377;MM44377;CN(C=NC=N)OCC#N;WFDOLMDNWJWDGD-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44378;MM44378;CC=CC(=O)ON=CNN;WWYXMDSTTVBFLD-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44379;MM44379;C=NN=C(C)ON=CNN;QAJAAMPSKJIUOO-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44380;MM44380;CC=NN=CON=CNN;CUEXWMSCRJUPNG-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44381;MM44381;CCC1(C)OC1(C)CC;AEWCBJGLZBAESZ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44382;MM44382;C=COC(C=NOC)=CN;TYGVRARCUQXYQV-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44383;MM44383;CC(=O)CN(C)CC(C)=O;BDVQRFGYCNTSJG-UHFFFAOYSA-N;143.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44384;MM44384;CNC(C#N)CC=NOC;IBQRMRGESMYMOS-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44385;MM44385;CCON=CN(C=N)C=N;GKMVCZSNCUNHLN-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44386;MM44386;COC(CF)CC(C)O;DUVYRHXIKLIYQD-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44387;MM44387;CC(N)C(F)(F)F;SNMLKBMPULDPTA-UHFFFAOYSA-N;113.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44388;MM44388;C#CC1(CC)CN1C;IHPJJSXUBGEGGY-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44389;MM44389;CON=CC(=O)C(=N)N;FBDBIQQJMXVXLB-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44390;MM44390;C#CC(=CF)N(C)C=NN;VJACEUOTSBEIRD-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44391;MM44391;CC(C)OC(CO)CO;TZVGNDWIPYNINU-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44392;MM44392;COC(CO)OC(C)C;JMEQCFADRHPZMT-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44393;MM44393;CC(C=NOC=O)=CN;BXFJRNYMGVRSFF-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44394;MM44394;C=CC(F)C(=NOC)NN;JWRSCVJAAIYLNB-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44395;MM44395;CCON=CC(=O)C(=N)N;OLVSPYFDGLXCSI-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44396;MM44396;C=NOC(=NOC)C(=N)N;LJKCMQIEUOBHTP-UHFFFAOYSA-N;144.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44397;MM44397;CC(C)CC(C=O)CO;UNVHCVVQOPIKFT-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44398;MM44398;C#CC(C)(NC)C(=O)OC;YRMCFCINMCIGDG-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44399;MM44399;CON=C(C#N)NC=N;MOYMERFSOKKSTE-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44400;MM44400;CCON=C(C#N)NC=N;GJYVBWWBPVMWLT-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44401;MM44401;CC(O)CC(C#N)CF;YXANJFVALXRPTB-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44402;MM44402;CC(F)CC(C=O)CO;VZZWQLUXTOKHTB-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44403;MM44403;C=CCNC(=N)C(=O)CC;JTYUJTRPSDKEHY-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44404;MM44404;C#CC=NN(C=C)C=NC;BGCFVQWAEVJRFD-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44405;MM44405;N#CCCNC(=N)C=O;KAVWHSWBOORXLO-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44406;MM44406;C#CCN=C(NC)OC=O;OWBOBCGNWXWRDF-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44407;MM44407;C#CC(O)C#CCNC;JOFRMUZSYMZNQG-UHFFFAOYSA-N;123.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44408;MM44408;CNN=CCC(C#N)NC;BCZHPMNFGJDSLQ-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44409;MM44409;COC(C#N)CC(C)O;UMMMUWKJZGIRKG-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44410;MM44410;COC(C=O)CC(C)F;MMFMFHRLQXZBRD-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44411;MM44411;C#CCCNCC#N;LEFZEUJWZRQDJV-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44412;MM44412;CC(C)OC(C#N)CO;OLSRYESLUYTLCA-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44413;MM44413;COC(C#N)OC(C)C;UTNFLCYOYLBINA-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44414;MM44414;COC(=N)N(C=N)C=N;OICMIGHDUYZIKX-UHFFFAOYSA-N;128.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44415;MM44415;CC(=O)C(=N)NCCC#N;VVQPLCXZFCUHKL-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44416;MM44416;CON=CC(=N)NOC;ZEHFSHQDPFRXRY-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44417;MM44417;CCC(N)CC(=NO)NC;XSHNSGZZFMGAMR-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44418;MM44418;CN=C(N)C(=O)OC(C)C;VZGZACKGUCPLQU-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44419;MM44419;C#CC(C#C)(C=O)N(C)C;CHAFETWNULOVNX-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44420;MM44420;C#CC(C)ONC(=N)CF;ZNOBBXIYNPVBMB-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44421;MM44421;C#CC(=N)N(C)C(=N)C#N;QEAJNHQZTWVIAN-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44422;MM44422;CCNC(=N)C#N;MTVVBWLTKLSMGI-UHFFFAOYSA-N;97.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44423;MM44423;C#CC(=NC)NOC=O;QGJCGXYNBWWCFT-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44424;MM44424;COC(C)(C)C(=O)C(=N)N;KHDVTRWBLOPDTE-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44425;MM44425;C=NN(C=N)C(=O)C(=N)N;ZLJVXQYESOOHNT-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44426;MM44426;CC#CC(=NC=O)N(C)N;MAPHESRHZLUCQA-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44427;MM44427;CON(C=O)CC(F)F;NEGLVWJRRRLKGA-UHFFFAOYSA-N;139.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44428;MM44428;CC#CC(C=O)(C=O)NC;DERPOFOBOBQIGP-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44429;MM44429;C=CC(=O)N=CN(C)C=C;WYMBZUHMBUIDAN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44430;MM44430;CCON=CC(=N)NOC;PASDOIWTVKNZMI-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44431;MM44431;C=CC(=NO)NC(=N)CC;VRYWWMZWCQJGJV-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44432;MM44432;C#CC(CO)CC(C)O;ZVHWGYJLISQDFM-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44433;MM44433;C#CC(CF)CC(C)O;RCWIYMYNHDBMKD-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44434;MM44434;C#CC(CO)CC(F)F;HXYPQPFXTGFQQH-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44435;MM44435;COCCN(C)C(=N)C=O;DRAWILZVUIMWHS-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44436;MM44436;C#CC(CC(C)O)OC;LOVRDHMCGVOKDE-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44437;MM44437;CNN=C(NO)NC=O;ZQUNARBTCVGKLZ-UHFFFAOYSA-N;132.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44438;MM44438;CNC(C=CF)C(=O)OC;UWJXVTJFAURGJM-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44439;MM44439;C=CC(C=O)CC(C)O;RUKNIMYEHAJDOG-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44440;MM44440;CC(O)CC(C#N)C=O;QNMRSJDKVLLNSZ-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44441;MM44441;C=CC(C=O)CC(C)F;ZOJIZIKRGOCHFT-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02932;MM02932;CC(F)CC(C=O)C=O;NDIGXOVEGFECCD-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15684;MM15684;CC(F)CC(C#N)C=O;ATRDREQTQSHTEZ-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16035;MM16035;O=CC(C=O)CC(F)F;LJGXVUMKTCDIQR-UHFFFAOYSA-N;136.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15683;MM15683;N#CC(C=O)CC(F)F;KVMHFPHGOJOKKI-UHFFFAOYSA-N;133.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15841;MM15841;CC(C)OC(C#N)C=O;MCHNIEFDWLTPRT-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02592;MM02592;CC(C)OC(C#N)C#N;OZQLZFIARLTERU-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44442;MM44442;CC=CNC(=NO)NO;WCRDFPPOIQKHAF-UHFFFAOYSA-N;131.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44443;MM44443;CN(C)CC(C#N)C#N;XOSGAVQPGMGKIT-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44444;MM44444;C#CCNC(=NC)OC=O;OWBOBCGNWXWRDF-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44445;MM44445;CC=NN=CN(C=N)C=N;VKVIYMZINACKRS-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44446;MM44446;CC(C)CN(C=O)C=O;BIOFIDKMCMUGKB-UHFFFAOYSA-N;129.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44447;MM44447;C=NNC;YAAYTUSOEFHQIF-UHFFFAOYSA-N;58.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44448;MM44448;CN(C)C1(C#N)CC1;HXGIDMLHPGMNNT-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44449;MM44449;CN(C)C(CF)=NC=N;RGGIAJXNRNHGNM-UHFFFAOYSA-N;131.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44450;MM44450;C#CC(=NC=O)N(C)N;PUKJZBYUUQWNJH-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44451;MM44451;COC(=N)N(C=N)OC;SXQJNQOADLAPRA-UHFFFAOYSA-N;131.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44452;MM44452;CC(C)ON(C=O)C=O;IDEZHYYDENJZOL-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44453;MM44453;C#CC(C=O)CC(C)O;JIHPUTWHOCZWGY-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44454;MM44454;C#CC(C=O)CC(C)F;VAENQFLEYAPSIQ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44455;MM44455;C#CC(C=O)CC(F)F;NNUCGBQDLFPEPI-UHFFFAOYSA-N;132.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44456;MM44456;C=NN=CN(C=N)C=N;OIGJVFXVTORVIX-UHFFFAOYSA-N;125.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44457;MM44457;C=C(C)NC(=NO)N(C)O;WGOMGPNVWKCEAU-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44458;MM44458;C#CC(=NC(N)=O)N(C)N;SHAKQCOJRGPKIM-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44459;MM44459;COC(=O)C(=N)N(C)N;CLQOXOBPPYYHRH-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44460;MM44460;C=CC(C)(O)C#CC(C)N;AOFDCDSBKSCXMR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44461;MM44461;C#CC(=NC=N)N(O)C=N;OSFPPCYAFRAZEQ-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44462;MM44462;C=NN=CC(=O)C(=N)N;CFKRJPDVKBYFIV-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44463;MM44463;C=CNC(CO)=NOCC;QUJTXCKXTSXWOF-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44464;MM44464;CC(C)=NN(C)C(=N)CO;BOXAXVXNMHZOSU-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44465;MM44465;COC(CF)CC(C)=O;LSNBUMKZDHRADU-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44466;MM44466;COC(CC(C)=O)OC;PJCCSZUMZMCWSX-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44467;MM44467;COC(CC(=O)O)OC;TYMBNRMIBWOQGH-UHFFFAOYSA-N;134.13;0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44468;MM44468;C#CCC(=O)OC(=N)NO;DYEBPYUOMCKCCK-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44469;MM44469;CCC(CO)NC(C)=O;YITXTRUIAQZVFJ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44470;MM44470;CCC(CF)NC(C)=O;YZZBOXSPDRGGPE-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44471;MM44471;NC(=O)NC(CO)CO;SSZYXOKKPYHGLM-UHFFFAOYSA-N;134.14;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44472;MM44472;C=C(C)OC(CO)CO;NXRJWLPRQOUREF-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44473;MM44473;COC(=NC=O)N(C)N;VGRFNWWTIAZIAP-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44474;MM44474;CCCN(O)C=NN;JLLAAFKLOBPTFE-UHFFFAOYSA-N;117.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Pentan-3-yl Carbamate";MM01844;CCC(CC)OC(N)=O;UTIDTCWOHJUCAI-UHFFFAOYSA-N;131.18;1.27;20631245;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44475;MM44475;C#CC(C=O)(C=O)NC;HPEDDACGUNVZIG-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44476;MM44476;COC(CO)OC(C)=O;HWIDYUWBALUPDI-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44477;MM44477;C=C(C)CN(C)C(=N)C=O;XKFVGBSUQPACRD-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44478;MM44478;CC=NN=CC(=O)C(=N)N;VGQKRDLSIXYRTN-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44479;MM44479;C#CC(=C)C(=N)N(C)N=C;QROHDWYVRFJDPH-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44480;MM44480;C=NNC(=NOC)N(C)C;IEMGCCIQJRSNCW-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44481;MM44481;N=C(C=O)NCC=CC=O;NPNARIFNDPBYOR-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44482;MM44482;CCNC(C)(C)C(=O)NN;DGRZWGFIXNMDAL-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44483;MM44483;C=C(C)CC(C=O)CO;WNPUTRQJHLDBFU-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44484;MM44484;C=C(C)CC(C=O)CF;FBORHVWIOALGJW-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44485;MM44485;CC(=O)CC(C=O)CO;ORKSNMROULXMCL-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44486;MM44486;CC(=O)CC(C#N)CO;NYQFNNQBWQBHAB-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44487;MM44487;N#CC(=CN)N=CNO;LPAFOSZXWCXCEM-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44488;MM44488;CCC(C#N)CC(N)=O;LHJUGZMQHLBJMC-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44489;MM44489;C=CC(CO)CC(=O)O;QASBGHYZLLXHRN-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16511;MM16511;O=CC(CF)CC(=O)O;KVUJSJQSSJJABL-UHFFFAOYSA-N;134.11;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44490;MM44490;N#CC(CF)CC(=O)O;GNDOKUSMAHOIKE-UHFFFAOYSA-N;131.11;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44491;MM44491;C=C(F)CC(C=O)CO;PUCWZBPQCMJRBF-UHFFFAOYSA-N;132.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44492;MM44492;C=C(F)CC(C#N)CO;IWNBHSGSEFWGSG-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44493;MM44493;C=NOCC(=NC)NOC;NVJRUGRVQUMFST-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44494;MM44494;C#CC(=O)CC(=N)NN=C;HOIKITHRUQOAMT-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44495;MM44495;C=NN(C=N)CCOCC;GNDNRJOLTZULRH-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44496;MM44496;CON(C=N)C(C)=NC=O;XXCMBBLAWMZDSJ-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44497;MM44497;C#CC(=N)N(N)C=NN=C;LMHHZKDEHUJQNK-UHFFFAOYSA-N;137.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44498;MM44498;C=CC(CC(C)=O)OC;KKTNCVGKDACVDE-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44499;MM44499;COC(C=O)CC(C)=O;ULIAKIRJNLDDLR-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44500;MM44500;COC(C#N)CC(C)=O;AWQXTOWLUOCJTP-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44501;MM44501;COC(C=O)CC(=O)O;SIFCCQNNOLRYMU-UHFFFAOYSA-N;132.12;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44502;MM44502;COC(C#N)CC(=O)O;TWMVXTCRLRYRST-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44503;MM44503;C=C(F)CC(C=O)OC;NVKYMCGIUKSRCR-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44504;MM44504;CCNCC(F)(CC)CO;OUWUTAZJQBONRN-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44505;MM44505;C=CC(CF)NC(C)=O;SFRGHHQEMNDCOE-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44506;MM44506;C=CC(CF)NC(N)=O;ZLCBYEFWLMCSPK-UHFFFAOYSA-N;132.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44507;MM44507;C=CC(CO)OC(C)=O;KLDFRVRYYGEMFX-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44508;MM44508;CC(=O)OC(C#N)CF;CGHGAUMDECHQMG-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44509;MM44509;C=NN(C=N)CC=CF;CRIZGIKKHDRCEB-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44510;MM44510;CNC(C#N)C(C)(C)OC;PCSDFERLFRFTOA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44511;MM44511;COC(C#N)OC(C)=O;WJIHTNHFWXERTL-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44512;MM44512;CC(N)=C(C)C=NOC=O;UPBJCKJNCVOEBI-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44513;MM44513;C=NN=C(C#CC)N(C)N;RJORVUIQDALMHL-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44514;MM44514;C=CC(OC)OC(N)=O;YOCFDQDFZKLIOR-UHFFFAOYSA-N;131.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44515;MM44515;COC(C=O)OC(N)=O;CGEGVACXTORYAZ-UHFFFAOYSA-N;133.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44516;MM44516;COC(C#N)OC(N)=O;XDJHISHPINOMTM-UHFFFAOYSA-N;130.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44517;MM44517;C=CCNN=CN(C)OC;QBISITBJQBMILD-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44518;MM44518;CNC(=CC#N)N(O)C=N;HSKARVGRSZQTGN-UHFFFAOYSA-N;140.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44519;MM44519;CNN=CN(C)OC(C)C;WWUQTDCHDCZEST-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44520;MM44520;C#CCON(C=C)C=NN;NAGKZINIJNNLAT-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44521;MM44521;C=NN(CC)CC(=O)O;FWDLJLOKNFMCFO-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44522;MM44522;C=C(C)CN(C=O)OC;CAGIKHKCWLQOQX-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44523;MM44523;CCN(C=O)OC(C)=O;DSAPNKZNFSWLFO-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44524;MM44524;C#CC(CO)CC(C)=O;JHUYSJZOTUFEAB-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44525;MM44525;C#CC(CC)CC(N)=O;HXBPLNDJFJPJOP-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16542;MM16542;C#CC(CF)CC(=O)O;PYAMZINHSCRTAD-UHFFFAOYSA-N;130.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44526;MM44526;C=NN(C=N)CC=C(C)F;WQEAPEFJIDTSGC-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44527;MM44527;C#CC(CC(C)=O)OC;NAAPWCDUYNJSRZ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44528;MM44528;C=CC=NN(C=N)CC=C;PDZPRYGASUZJPZ-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44529;MM44529;C#CC(CC(N)=O)OC;BVXXPAQQQCIWBQ-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methoxypent-4-ynoic Acid";MM03647;C#CC(CC(=O)O)OC;GGBMFTLHPFKBKF-UHFFFAOYSA-N;128.13;0.11;85203894;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44530;MM44530;CCN(C)C(=N)C#N;CNJPCOUMTBXHBB-UHFFFAOYSA-N;111.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44531;MM44531;C#CC(CC)NC(C)=O;YAJNSFMSUJDRPE-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44532;MM44532;C#CC(CF)NC(C)=O;SDVYUCAAPMCTTI-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44533;MM44533;C=C(F)CC(C#N)NC;CKUVLZGRKWJSER-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44534;MM44534;C#CC(CC)NC(N)=O;QFBXBKWLVLXXLM-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44535;MM44535;C#CC(CO)OC(=C)C;WFFCAOGAEZUDQJ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44536;MM44536;C#CC(CO)OC(C)=O;AMUIMVTULGFXIJ-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44537;MM44537;C#CC(OC)OC(C)=O;HKZPTCTURPNTKL-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44538;MM44538;CON(C)C(C)=NC=NN;AYOFKOASKJUIFF-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15735;MM15735;C=C(C)CC(C=O)C=O;UZEJWEYLYLLLCD-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44539;MM44539;C=CC(C=O)CC(C)=O;JBJINPJKMLHPMU-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44540;MM44540;C=CN(N)C(CO)=NCC;WCJMMJSRYMKTBP-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44541;MM44541;N#CC(C#N)CC(N)=O;AUEDHHSAOYXRLL-UHFFFAOYSA-N;123.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-formyl-4-oxobutanoic Acid";MM03551;O=CC(C=O)CC(=O)O;ZKUWNELLOZCABO-UHFFFAOYSA-N;130.1;-0.52;57312798;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44542;MM44542;N#CC(C#N)CC(=O)O;FTMIYDLTXCXQPP-UHFFFAOYSA-N;124.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15975;MM15975;C=C(F)CC(C=O)C=O;LFTHLHYNOIWRTO-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15680;MM15680;C=C(F)CC(C#N)C=O;GGNALCUKCOSVID-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44543;MM44543;C=NOC(=NC)N(C)N;OIEBSUDPGKBEMX-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44544;MM44544;C=CC(C#N)NC(C)=O;MLKNALABROXSOX-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44545;MM44545;CC(=O)NC(C#N)C#N;YIMVLVAKLQOMQF-UHFFFAOYSA-N;123.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44546;MM44546;CN=CNN=C(C)C#N;DTBRRVZHXWDUHH-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44547;MM44547;C=CC(C=C)NC(N)=O;QCVRYFXWOIYMTE-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44548;MM44548;N#CC(C#N)NC(N)=O;KHTSULSKTSZHTO-UHFFFAOYSA-N;124.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15793;MM15793;C=C(C)OC(C#N)C#N;CUGJXJNXGQALRB-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44549;MM44549;CC(=O)OC(C#N)C=O;HZKIASJWNITLPM-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Dicyanomethyl Acetate";MM02367;CC(=O)OC(C#N)C#N;NDYMFSJJUOHLFJ-UHFFFAOYSA-N;124.1;-0.03;245976;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44550;MM44550;C#CC(=NN=C)N(C)N;GNEGATNYTKYLLH-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44551;MM44551;C=CC(C#N)OC(N)=O;RTXDWBLZYYSOIB-UHFFFAOYSA-N;126.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44552;MM44552;N#CC(C#N)OC(N)=O;OQTOTAKPIVMLFH-UHFFFAOYSA-N;125.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44553;MM44553;C=CN(C=O)CC(=C)C;VMTVTCGXURNJHY-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44554;MM44554;CC(=O)CN(C=O)C=O;CWHVLBKOBSACCN-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44555;MM44555;C=CN(C=O)CC(=O)O;UIECCNMJLHXURC-UHFFFAOYSA-N;129.12;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44556;MM44556;C=CC#CC(=N)NOC=O;LAPSXHXPYKASPP-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44557;MM44557;C=C(F)CN(C=O)C=O;LPSSUMWLHWILRB-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44558;MM44558;N=C(C=O)NC=CCCF;JJLVNWXFTVQSBU-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44559;MM44559;C=CN(C=NC=N)OCC;WHXZEOUPHUCEPC-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44560;MM44560;C#CC=CN(C=N)N=CC;IUTPADZYYQCGIE-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44561;MM44561;C=CN(C=O)OC(C)=O;LKNBFBKMSUMUBV-UHFFFAOYSA-N;129.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44562;MM44562;CC=NOC(=NC)N(C)N;SZFPTYYVCKRXMA-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44563;MM44563;C#CC(=NN=CC)N(C)N;YQUUKHQWYHOSPT-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44564;MM44564;C=CN(C=O)OC(N)=O;KTNBCTMFGYLTEG-UHFFFAOYSA-N;130.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44565;MM44565;N=CN(C=O)OC(N)=O;PGLSEXMHEFQXNU-UHFFFAOYSA-N;131.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44566;MM44566;NC(=O)ON(C=O)C=O;ZSJQYVIMFQRULF-UHFFFAOYSA-N;132.08;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44567;MM44567;C#CC(C=O)CC(=C)C;ANQFJGYDBAOGFW-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44568;MM44568;C#CC(C=O)CC(C)=O;ZJZPGJYKKQAWDB-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16479;MM16479;C#CC(C=O)CC(=O)O;OOYIZHYUWMHOHN-UHFFFAOYSA-N;126.11;-0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44569;MM44569;C=NN(C=N)CC(=C)C;WBMBUHMNNHIUAV-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44570;MM44570;COC(N)=C(C=NN)OC;AEOPIFKSXHTEHT-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44571;MM44571;C#CC(C#N)NC(C)=O;TWMQXDRUOCQBIS-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44572;MM44572;C#CC(C=C)NC(N)=O;OXTZURNYLSVRDZ-UHFFFAOYSA-N;124.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44573;MM44573;C#CC(C=O)OC(C)=O;CCYHLJPARIJSRL-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44574;MM44574;C#CC(C#N)OC(N)=O;QJSLRXLNNYONOS-UHFFFAOYSA-N;124.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44575;MM44575;C#CC(C#C)CC(C)=O;VHGTVPPFRWZNHI-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44576;MM44576;CN(C=O)N=CC=CN;VRMWFPGPFHDTEX-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44577;MM44577;C#CC(C#C)CC(N)=O;KYFDHTZINLRJEN-UHFFFAOYSA-N;121.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44578;MM44578;COC=NN(C=N)C(C)C;BXSJGUPNWRTYBE-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44579;MM44579;C#CC(C#C)NC(C)=O;YLCPQJVBMUURJZ-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44580;MM44580;C#CC(C=C)CNCC#N;LTUQIUKBMFCBRT-UHFFFAOYSA-N;134.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44581;MM44581;C#CC(C#C)NC(N)=O;CPPKJQFVPQELKH-UHFFFAOYSA-N;122.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44582;MM44582;CC(C)ON(C)C=NC=N;URRXNYHTNSYAAI-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44583;MM44583;C#CC(C#C)OC(N)=O;XDVLXGPNHAGVSZ-UHFFFAOYSA-N;123.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44584;MM44584;C#CC(=N)N(CC)OC=O;XGTLWTKMHBWHGB-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44585;MM44585;N#CC(=N)N;OUYYNZDOJHSQBW-UHFFFAOYSA-N;69.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44586;MM44586;C#CCC(C)NCC#N;PGQIMOXXKQVPOS-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44587;MM44587;CC(C)N=C(CO)NN;YQJIFKUAQKHRQU-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44588;MM44588;C#CCC(C=CN)=NO;HLTAOOZYVJEDOK-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44589;MM44589;C=CCN(C)C(=N)C=O;PZIHCQBHPUIHSD-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44590;MM44590;C=NN=C(OC)N(C)N;URVWLNXRTCQUGO-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44591;MM44591;C#CC=CN(C=N)N=C;FWSVAJMGKMJPCO-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44592;MM44592;N=CN(O)C(=N)C=NO;FQJUKFNJOUUYFC-UHFFFAOYSA-N;130.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44593;MM44593;C#CC(C=O)C(=O)C(=N)N;IYLFTVZSORKHMC-UHFFFAOYSA-N;138.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44594;MM44594;CC=NN=C(OC)N(C)N;SJBAZAHZCRTJHS-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44595;MM44595;CCC(C)(O)C(N)CF;AGZJDNVPAKBFMN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44596;MM44596;C=CCNC(=NO)N(C)O;ZGVDBGMTNYBEFJ-UHFFFAOYSA-N;145.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44597;MM44597;COC(=NO)NC(C)C;KEAIYRYIRHGGFX-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44598;MM44598;CN(C)C(C=CN)=NO;NVGDBMIPSAGIJQ-UHFFFAOYSA-N;129.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44599;MM44599;C=NNC(=N)CC#CCO;ATLVVXRVRONEPI-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44600;MM44600;C=NN(C=N)CC=CC#N;UBEOBKUTNSFXTF-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44601;MM44601;CC#CC(C)(CO)NC;LDRVZXAMYUAQOK-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44602;MM44602;CC#CC(=N)N(O)C=NC;OJSSYJNUTSSKQN-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44603;MM44603;C=C(C#N)N(O)C=NC;MVPRWSVCQMANRE-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44604;MM44604;CC(C)OC(=NO)NO;GOPJYYCTJXBQBB-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44605;MM44605;N=C(NO)ON=CC=CN;HHVLUTBFVINARO-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44606;MM44606;COC(=NO)OC(C)C;WMBXBROPKZUGKY-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44607;MM44607;C=CCONC(=N)CF;CABRAPBAKSHLFX-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44608;MM44608;C=CC(=O)OC(=N)NO;XBADBIWDSOLIIK-UHFFFAOYSA-N;130.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44609;MM44609;C#CCC(C#N)NCC;NYYCTSLBKWNVOG-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44610;MM44610;CN=C(C#CC=O)NO;POQIMHOUWRZRTG-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44611;MM44611;CCN(O)C(=NN)NC=N;LAIZZGJHIVLHKO-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44612;MM44612;C=CN(O)C=NNCCN;WTCKYGLBGBOMMN-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44613;MM44613;CNC(C=O)(CO)CC#N;UMETXFQRXCEVAU-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44614;MM44614;C#CCOCC(=NN)NO;ZHBRNGVQKZGTCX-UHFFFAOYSA-N;143.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44615;MM44615;CON=CC(=CN)OC;DYQBFUNVQHLAQB-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44616;MM44616;CC(O)CC(C=O)=CF;XDRPRZOQXYIIOP-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44617;MM44617;CC(O)CC(C#N)=CF;VMLIJNMRSXBODK-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44618;MM44618;CC(F)CC(C=O)=CN;LEKJCLYKXXTLHJ-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44619;MM44619;CC(F)CC(C=O)=CF;SCMYZQXEMKGFGH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44620;MM44620;CC(C)CC(C#N)=NO;PXSRGEYOZXKMNC-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44621;MM44621;CC(F)CC(C#N)=NO;AONRTEYEMSDSBH-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16497;MM16497;N#CC(CC(F)F)=NO;VLVZKEBKDBPIMV-UHFFFAOYSA-N;134.09;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44622;MM44622;N#CC(F)C(=N)N;CWYKJRFXASDBMD-UHFFFAOYSA-N;101.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44623;MM44623;CCCON(C)C=NC=N;GUVISYXPTUFDMO-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44624;MM44624;CC(C)OC(C#N)=NO;QRIZWNFJLAAZHB-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44625;MM44625;C=NN(C)C(=N)C=CC#N;PPAUCQYMRUHCMF-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44626;MM44626;C=NN(C=N)CC=CC=O;NPDRJRARWGXPDB-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44627;MM44627;CCC(C#N)N(C)CCO;BNAZXMXLKMINTG-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44628;MM44628;C#CC(C#CC=NN)=NN;JJWUHFVSDBLIQK-UHFFFAOYSA-N;134.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44629;MM44629;CN(C)N=C(C#N)NO;XANOPZYSVULXGQ-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44630;MM44630;C#CC(=CF)CC(C)O;FEFSAMMSRGJARR-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44631;MM44631;CNC(C#N)(C#N)C(=N)N;IQVRHUHDMHOITM-UHFFFAOYSA-N;137.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44632;MM44632;CN(C)C(CO)CO;CUACAHUDGBWTME-UHFFFAOYSA-N;119.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44633;MM44633;C#CC(CC(C)O)=NO;CFHWJMIQFBIHRO-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44634;MM44634;C=CN(C=NNC)OCC;ZORJDGURKNKGEP-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44635;MM44635;C#CC(=NO)OC(C)C;JRYDUAKSRSTTQD-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44636;MM44636;CN=C(C=O)NC;HSYRGYKDEZIXLZ-UHFFFAOYSA-N;100.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44637;MM44637;C=CCON(C)C=NNC;UNSATGDYYJJNAC-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44638;MM44638;C=CN(C=NNCC)OC;IRLHKLDTRYJXGU-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44639;MM44639;CC(=O)CC(=CF)CO;RRIOBSIUIIVJLE-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44640;MM44640;Cn1oc(=O)oc1=N;QNQOOIAVJBSPRF-UHFFFAOYSA-N;116.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44641;MM44641;CNN=C(NC=N)N(C)O;XAWXRAVPXQEQOT-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44642;MM44642;CC=C(CF)CC(N)=O;OWVGECVQWAMRRH-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44643;MM44643;NC(=O)CC(=CF)CF;CGPDCIJWEAPIKK-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16494;MM16494;O=C(O)CC(=CF)CO;NWJZJWOJWYZNBP-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44644;MM44644;CC=C(CF)CC(=O)O;BUTIURKGQRZREX-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44645;MM44645;CC(=NC=CC(C)O)NO;XZEJBZSMDZVGBT-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44646;MM44646;C=C(C)CC(CO)=NO;YBKFBJNPUIHHRX-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44647;MM44647;CC(=O)CC(CF)=NO;JNTKXYHVIFBPBU-UHFFFAOYSA-N;133.12;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44648;MM44648;CCC(CC(=O)O)=NN;HRFAMVFCMLVWJW-UHFFFAOYSA-N;130.15;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44649;MM44649;CCC(CC(=O)O)=NO;BFSKOKJXXISMMO-UHFFFAOYSA-N;131.13;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44650;MM44650;C=C(F)CC(CO)=NO;UMQNGIMQMSEBLR-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44651;MM44651;C#CC(F)C(=NOC)NN;YYNKRKAIYFNPTL-UHFFFAOYSA-N;145.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44652;MM44652;C=C(F)CC(=NO)NO;QSSYQLIGROEZRW-UHFFFAOYSA-N;134.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44653;MM44653;COC(CC(C)=O)=NO;LKUVPUBGRWOXSU-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44654;MM44654;COC(CC(=O)O)=NO;XPHLJMDSAYTPNW-UHFFFAOYSA-N;133.1;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44655;MM44655;CNN=CON=CN(C)C;SHGWJPFQXLHIOT-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44656;MM44656;CN(C)C(C)(C=O)C=O;NXTBDDNGOONGBP-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44657;MM44657;CNN=COC(=O)C(=N)N;LVICMNAUSXMJNF-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44658;MM44658;C#CC(NC)C(C#N)=CF;TXZPYQMQLFZNDY-UHFFFAOYSA-N;138.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44659;MM44659;N=C(N)C(=O)OC=NN;NISDJWVYADUGRY-UHFFFAOYSA-N;130.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44660;MM44660;CN(C)CC(C#N)=CF;BCOJDZGSLIIKMP-UHFFFAOYSA-N;128.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44661;MM44661;CN=C(CF)NC(C)=O;DUTHQZTUYBWQKB-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44662;MM44662;NC(=O)NC(CO)=NO;SOTNXDIQEIOEDN-UHFFFAOYSA-N;133.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44663;MM44663;N=CN(C=N)C(=N)C=NO;KSMJQFMOLXOCLP-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44664;MM44664;CN=CN(C)C(=NO)OC;SCBPYFFNWSSGOL-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44665;MM44665;CC(C=NO)=CN;OLWPTKFYXZFJME-UHFFFAOYSA-N;100.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44666;MM44666;C=C(COC)N(N)C=NO;CLOTXCNCOALISI-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44667;MM44667;CN(C)C(CCO)=NO;ICRMYCPJCUSBMY-UHFFFAOYSA-N;132.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44668;MM44668;COCCC(=NO)N(C)C;JOEBYRSAILXMNY-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44669;MM44669;CC(=NO)N(C)CCC#N;ZYGYIYDHDOULDZ-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44670;MM44670;CNC(=NC=NN)N(C)O;MCSQOWYQWVAAIP-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44671;MM44671;C=C(OC)C(=NO)N(C)C;XFVLVMQXLBXJLP-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44672;MM44672;CC(=O)NN=CC=CN;LLEYLIXORQEOIB-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44673;MM44673;C=CNC(=NO)N(C)O;LZQKEOVYUZVEBA-UHFFFAOYSA-N;131.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44674;MM44674;CC(C)=CNC(=NO)NO;WIBMWYKCSUKAMS-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44675;MM44675;CNC(=NC(=N)CO)OC;LSSBPYZQJSCOPS-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44676;MM44676;CCC=CNC(=NN)NO;DCVXNHCSETYJOJ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44677;MM44677;N#CC(C=CF)N(O)C=N;YMDUIOUYBIDSAT-UHFFFAOYSA-N;143.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44678;MM44678;NC(=O)NC(=NO)NO;VDOZKGANIFXSRQ-UHFFFAOYSA-N;134.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44679;MM44679;COC(=CF)NC(C)=O;AAJPVZODVMUDCR-UHFFFAOYSA-N;133.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44680;MM44680;CC(N)=CC=NOC=O;LKVUUKUTXHJCDE-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44681;MM44681;CC=C(NC(N)=O)OC;SYMPZEDXUQDIHL-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44682;MM44682;COC(=CF)NC(N)=O;IPCQDVKQSZYCKV-UHFFFAOYSA-N;134.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44683;MM44683;C=C(C)C(C#N)N(O)C=N;JGMDIBSAIOUKTI-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44684;MM44684;C=C(C)NC(=NO)OC;QCNSTRLYUCZHRS-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44685;MM44685;CC(C)CNC(C#N)CO;CFDIKWBOFXVEFX-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44686;MM44686;COC(=NO)NC(C)=O;ITSCWVYRNYTMEY-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44687;MM44687;CCN(O)C=N;IDXSDUBJPVUMFE-UHFFFAOYSA-N;88.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44688;MM44688;CN=C(NC(N)=O)OC;DJBQTFGPXYARGP-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44689;MM44689;COC(=NN)NC(N)=O;KESYDCIFMIIAGG-UHFFFAOYSA-N;132.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44690;MM44690;CN=CN(C)N=CCC#N;WJXIFHWRUFNVKX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44691;MM44691;CC=COCC(=O)C(=N)N;NYAUMIAWTHZSJN-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44692;MM44692;CC(=O)OC(=CF)CO;VZFZXINJPUARRT-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44693;MM44693;CNC(C)(C)C(=N)NO;PNGVPYFLMYOVIZ-UHFFFAOYSA-N;131.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44694;MM44694;CC(=O)N(C)N=CC=CN;FSYPJRSWWJPTEQ-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44695;MM44695;C=CN(C=NN(C)C)OC;FMIVCMDWQJCRCY-UHFFFAOYSA-N;143.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44696;MM44696;C=CC(=NCC(C)N)NO;KMXNPZLMIGREBL-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44697;MM44697;C#CCC(=N)NN=CCO;CBCVVKNPLJBCKX-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44698;MM44698;CC(C#N)NCC(C)(C)O;GTNPDWCSUBMAEK-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44699;MM44699;COC(=CC#N)N=CNO;HOUKYPGTAABFFI-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44700;MM44700;COC(=NO)OC(C)=O;XNIVODVWFNGSNM-UHFFFAOYSA-N;133.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44701;MM44701;C=NN(C=N)C(C)CC=O;SIXOJBXBQSIIKC-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44702;MM44702;CON=C(N=CN)C(C)=O;OCJSKBAVYBHKFR-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44703;MM44703;C=C(C)CC(C=O)=CN;JWFJCFOOIBXESV-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44704;MM44704;C=C(C)CC(C=O)=CF;WXAOWXCAYFOQCX-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44705;MM44705;COCC(=O)C(=N)N;LHZGHWBLZJRDIV-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44706;MM44706;C#CCOC(=NN)NN;CFUYLMMAPUPNBQ-UHFFFAOYSA-N;128.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44707;MM44707;C=CC(=CF)CC(N)=O;MOIYOBOABOMWQZ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16199;MM16199;N#CC(=CF)CC(=O)O;YGPIJOPYKDNMMA-UHFFFAOYSA-N;129.09;0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44708;MM44708;CC(=O)CC(C#N)=NO;JSMPVEARLOKLSZ-UHFFFAOYSA-N;126.12;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16520;MM16520;C=CC(CC(=O)O)=NO;BVUBMNVVOMXQJH-UHFFFAOYSA-N;129.12;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44709;MM44709;CON=C(C=CN)OC;QDKBEEGBZPMBON-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44710;MM44710;CC(C)(N)C#CC(N)=O;KVVURRVRVHCMJK-UHFFFAOYSA-N;126.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44711;MM44711;COC(=NN)NC(C)CF;BPUADRQICPPLRR-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44712;MM44712;CC(=O)NC(C#N)=CF;AVLOFLUQEHWPSQ-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44713;MM44713;C#CC(=NOCC)NC;LECYZRDPIZVNMM-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44714;MM44714;C#CCNC(C)(C=O)C=O;BPFMODMINUGDKD-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44715;MM44715;CC=C(C=O)NC=NNC;FIUMSCFABDCCNY-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44716;MM44716;CCC(C=O)=CC(=N)NO;BVSAVUDRXJIHAM-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44717;MM44717;C=CC(=CC)NC(N)=O;SIFIPJJZUUCEBP-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44718;MM44718;CC=C(C=O)NC(N)=O;QETVUZPDUXHJBD-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44719;MM44719;CC=C(C#N)NC(N)=O;HCNNKAXYQWJHGP-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44720;MM44720;N#CC(=CN)NC(N)=O;RABIOWNHHKLWSR-UHFFFAOYSA-N;126.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44721;MM44721;N#CC(=CF)NC(N)=O;LYJPFRWALQFNRJ-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44722;MM44722;CN(N)C=NN=CNN;UWFWJQUVORKURM-UHFFFAOYSA-N;130.16;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44723;MM44723;C#CC(C=O)(C=O)NCC;TWRDXPKJMSDCAE-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44724;MM44724;C=CC(NC)C(=C)CO;RSRDHRYOGVBTHB-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44725;MM44725;CC(=O)NC(C#N)=NO;SXBCWFKGSIVXPV-UHFFFAOYSA-N;127.1;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44726;MM44726;CNN=CON(C=N)C=N;SFSQYIDPUQHGTF-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44727;MM44727;N=CN(C=N)OC=NN;RQRVSJFJRWXSKG-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44728;MM44728;CN=C(C#N)NC(N)=O;VORFYQBPDZMUJR-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44729;MM44729;N#CC(=NO)NC(N)=O;HJSUCCMGXZRNTI-UHFFFAOYSA-N;128.09;-1.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44730;MM44730;C=C(C)OC(C=O)=CN;UOYAXZJXUPJPIL-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44731;MM44731;CC(=O)OC(C#N)=CN;RYLMZGLFQDUGIU-UHFFFAOYSA-N;126.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44732;MM44732;C=C(C)OC(C#N)=NO;CQNGYFKQOKAGNR-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44733;MM44733;CC(=O)OC(C#N)=NO;YDHQXQDYGGWMLX-UHFFFAOYSA-N;128.09;-0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44734;MM44734;C=NNC(=N)C=COC=O;SRFAYUCCJPHQOC-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44735;MM44735;C=NNC(=NC)NC=NC;JUAKSRPWOQEVRF-UHFFFAOYSA-N;141.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44736;MM44736;CCN(C)N=CN(C)OC;QZRBNBUCZHVQRB-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44737;MM44737;C#CC(CC(=O)O)=NO;BBVCUUNZSYWORC-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44738;MM44738;NN=CCN(N)C=NC=O;WESIXWUJTOTYHK-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44739;MM44739;C=CC(C#N)N(C=N)OC;ZUKMLGFNMKAHFA-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44740;MM44740;C#CC(=CF)NC(N)=O;IOKIDEFRRWYZIF-UHFFFAOYSA-N;128.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44741;MM44741;C=CCN(C=N)N=C;MEBSLMMPIZWJHM-UHFFFAOYSA-N;111.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44742;MM44742;CC=NNC=NCC;BTTZMRHNWRMRJT-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44743;MM44743;COC(=NNC(=N)N)OC;PIKPQXKVRSYQHL-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44744;MM44744;CON=C(NC=N)OC=O;AEJHMLOJWOBBHF-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44745;MM44745;C#CC(=NC)NC(C)=O;CWFCORMCSHOZMB-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44746;MM44746;C#CC(=NO)NC(C)=O;DIGHZUZYNKEGPG-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44747;MM44747;C=CC(=NO)N(O)C=N;ZELOBYKIPRUNLZ-UHFFFAOYSA-N;129.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44748;MM44748;C=C(CF)N(N)C=NO;FNWLXMSOZUORCM-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44749;MM44749;C#CC(=NN)NC(N)=O;YVFYFPZIWRQIQZ-UHFFFAOYSA-N;126.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44750;MM44750;C#CC(=NO)NC(N)=O;AAZVPUQGGDBEMY-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44751;MM44751;C=C(C#CCN)C=CCO;VVEKNVOSZARSLG-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44752;MM44752;C#CC(=NO)OC(C)=O;MDVBBWGVQOLECV-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44753;MM44753;COC=CN(N)C(C)=NO;HQTPFGMEWRACRW-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44754;MM44754;C#CC(=NN)OC(N)=O;YWHMKGHWGQRNEI-UHFFFAOYSA-N;127.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44755;MM44755;C#CC(=NO)OC(N)=O;NTZLXYYQHADION-UHFFFAOYSA-N;128.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44756;MM44756;C#CCC(C)(C#N)NC;RRWOGVRUSBBZGW-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44757;MM44757;CC(C)=CC(CO)CF;GJGNXFFSHVMQJR-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44758;MM44758;OCC(C=C(F)F)CO;NCARDCXJAPFCJH-UHFFFAOYSA-N;138.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44759;MM44759;CN(O)C=NCC#N;BKNLFHMVVNBQBA-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44760;MM44760;C=C(C=O)NC(=NC)OC;XRWMDPBDYCWTNJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44761;MM44761;C#CC(=NC=O)N(N)CC;LJXILSNJMFZAPA-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44762;MM44762;CCONC(=N)CF;CJDCAAUQVCCJHG-UHFFFAOYSA-N;120.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44763;MM44763;C=NOC(C)=NNC(=N)N;JKMMOVLGENZEFJ-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44764;MM44764;CN(CC=NN)CCF;GSUCMYOXIOZKBC-UHFFFAOYSA-N;133.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44765;MM44765;C=C(C#CCN)C(=C)CO;MXUHKOLONFBVKI-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44766;MM44766;CC(C)(C=O)CNCC#N;WKHQNYPJTAEEMC-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44767;MM44767;C#CC=CN(N)C=NOC;ZXCKWKLTPRIZHT-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44768;MM44768;C#CC(F)CCNCC#N;GUHGCAHCNXNHIX-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44769;MM44769;CON=CC(OC)=C(C)N;IDDRUOYLZIQEIY-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02842;MM02842;CC(F)=CC(C=O)C=O;GZGGCQATLACUJF-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15669;MM15669;CC(F)=CC(C#N)C=O;XGYXNNHYQRMWRS-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44770;MM44770;C#CC(=NOC)NC;QZZZVKWOIYFKPG-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44771;MM44771;CC(C)=CN(C=O)C=O;AUHPGDBIBZOQMQ-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44772;MM44772;C#CC(C)CNCC#N;GCBGGQKRCLJTFN-UHFFFAOYSA-N;122.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44773;MM44773;CN(CC#N)C(=N)OC=O;QCFSJCSHJUYRCT-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44774;MM44774;C=CC(C#N)(C#N)CNC;ZIDGNTJUJDZJJC-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44775;MM44775;C#CC(C=O)C=C(C)C;JHXYASIQLNIUHZ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44776;MM44776;CC(N)=CC=NNC=O;BZQVLCHXVJNFQG-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44777;MM44777;C=CCC(N)(CC)C(N)=O;XVWQMSFJTFWUAF-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44778;MM44778;CCC#CC(=O)C(=N)NC;GVEKRUYFDFBAFD-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44779;MM44779;N=C(NO)OC(=O)CO;QZAUJFMOUGOFNC-UHFFFAOYSA-N;134.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44780;MM44780;CC(F)=CC(CO)=NO;XHDJBWRBUXMKMJ-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44781;MM44781;C#CC(=C)N(O)C(C)=NN;UMAIXIVNANWZMR-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44782;MM44782;C#CCN(N)C(=N)NN=C;YEWXOBLJQATKFZ-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44783;MM44783;CONC(=N)CF;PZKWZBBVAMFAGZ-UHFFFAOYSA-N;106.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44784;MM44784;N#CC(=N)NN=CNC=N;FOLHUGAGJAXVBT-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44785;MM44785;CC(F)=CC(=NO)NO;GTYGABIFFCSQRN-UHFFFAOYSA-N;134.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44786;MM44786;NC(N)=CC(=NO)NO;GAFWTJDYNHEJML-UHFFFAOYSA-N;132.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44787;MM44787;CN=CNN=C(C=O)C=O;IXJBAWHRDMEBSP-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44788;MM44788;CC(C)=CC(C=O)=CF;JWHFXEHSTIXUJV-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44789;MM44789;C=CN(N)C=NOC=O;RHLXRMIHLQDPAI-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44790;MM44790;CN=CN(CC#N)OC;FJZAJXCOYNWQKC-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44791;MM44791;COC=NNC(=N)COC;NWESAYDCONHZFA-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44792;MM44792;CNC=CC=NOC=O;AOLDPAHTSMQITP-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44793;MM44793;CNC(C#N)C(C)(C)C=O;ZOWLOLPAQWHBSA-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44794;MM44794;CC(O)C=C(CO)CF;SZWORRQSSMQEIK-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44795;MM44795;C=CN(N)C=NOC(C)=O;VUVNPDWDBPULLU-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44796;MM44796;C=CCN(N)C(=N)ON=C;FFORWOXPYRJMKR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44797;MM44797;C=CNC(COC)=NOC;ORWOHMWERGPRDK-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44798;MM44798;C#CC(F)CC(C#N)NC;VWUGWZPRKXRMMM-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44799;MM44799;CCN=C(C=NN)NOC;LDUXNWZHVFAGQZ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44800;MM44800;C=CNC(=NC(C)=N)OC;FEMZMQPMVBWXHI-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44801;MM44801;COCCC(C#N)N(C)C;LFKYZOKJVSFQBM-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44802;MM44802;CN=C(C(C)=O)N(C)C;PCDDMSOIYSCEQC-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44803;MM44803;CC(CC=O)N=CN=CN;QHLYFMDCVCVVJJ-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44804;MM44804;C=C(C)NC(=NC=N)OC;WFRFYMYYQORLGH-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44805;MM44805;C=C(C)CCNCC(C)=O;HNFXAVHLLRLPMW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44806;MM44806;CN(C)C(C=NN)CF;HHXBPMIGILKJMS-UHFFFAOYSA-N;133.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44807;MM44807;C#CC(C)C(C#N)NC;GLEKZJPJGRQQQG-UHFFFAOYSA-N;122.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44808;MM44808;CC(C)C=C(C#N)CO;LRKVWGBAEYTUJM-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44809;MM44809;CON=C(C=C(C)N)OC;BUKWGKRAKFRBHJ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44810;MM44810;CCC(C=O)=CC(C)O;AJBKNXXEEYEIQH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44811;MM44811;N=C(NN)C(=O)NN;JZXXOVDDKQSHDC-UHFFFAOYSA-N;117.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44812;MM44812;C=CC(=CC(C)O)CO;JYEUVKHAQWZZOZ-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44813;MM44813;CC(O)C=C(C=O)CF;YHLRGNQOOSQZSY-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44814;MM44814;CC(F)C=C(C#N)CO;XEJAWGWSFZGAHV-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44815;MM44815;COC(C=O)=CC(C)O;OINKLINBZDMUJM-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44816;MM44816;CN(N)C(=N)C(=O)NN;NGBMOVFLQQULPX-UHFFFAOYSA-N;131.14;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44817;MM44817;CON=C(N)CC#CC=O;HWRKQLKWTLWVKT-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44818;MM44818;CON=C(C#N)N(C)C=N;WEWAETFWUWPFSC-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44819;MM44819;C#CCCNC(C)=NO;BQABZNQKJMIVBI-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44820;MM44820;C=NN=CON(C=N)C=N;URYZIXQVIRFKBK-UHFFFAOYSA-N;141.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44821;MM44821;C=NNCCCNCC#N;BQOBDSGSTIXPGH-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44822;MM44822;CC(O)C(F)(F)CN(C)C;JXOFFHAGVWPQTB-UHFFFAOYSA-N;153.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44823;MM44823;CCN(C)CC#N;PMVPEQSZVOKTAU-UHFFFAOYSA-N;98.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44824;MM44824;C#CC(=CC(F)F)CO;ITRJJKGDEZMWKT-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44825;MM44825;C=NN(C)C=NC;YXHMVVOSHUJULW-UHFFFAOYSA-N;99.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44826;MM44826;C#CC(=CC(C)O)OC;ITNLYZWKMKNWNC-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44827;MM44827;CONC(=N)C(C)F;ICLMSOXCGAFTIZ-UHFFFAOYSA-N;120.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44828;MM44828;N#CCNCCCF;UXXOPDZXIJZJRA-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44829;MM44829;CC(O)C=C(C=O)C=O;MLUNVNKXQNPXRU-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44830;MM44830;CC(O)C=C(C#N)C#N;FRTBNDSADBOGOG-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44831;MM44831;C=C(C=O)NC=NN(C)C;WAAWMDCZKXFABL-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44832;MM44832;CN(C)C=C(C=O)C=O;WUTCYTOQCLAUQG-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44833;MM44833;C=CC(=NOC)NN(C)C;NYDIZCOCIDFYHY-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44834;MM44834;C#CC(=N)N(C=NC)OC;XCQFAUPMHRFLSI-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44835;MM44835;C=NN=C(C#N)N(C)C=N;MSLNSNLQVFTVEG-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44836;MM44836;CCON=C(C=CN)OC;MQOBRJMYUXATAE-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44837;MM44837;CN(C)N=C(C#N)C#N;HGMUQHPSJRYDND-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44838;MM44838;C#CC(C=O)=CC(C)O;MTYFVPZJPHVUMV-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44839;MM44839;C#CC(=NOCC)N(C)C;NWXOEAILCAPNEV-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44840;MM44840;C=CNC=NOC=NOC;OCYRZCSCHFLUTF-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44841;MM44841;C#CCC(C#N)NC(C)C;QUMZYZYSAHYKIR-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44842;MM44842;C=NN=COC(=O)C(=N)N;HTTHFBZFTJHNIQ-UHFFFAOYSA-N;142.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44843;MM44843;CN=CNN=C(C#N)CO;GFHCHTONGRCXAR-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44844;MM44844;C=C(F)C=C(CO)CO;OCMHQWNLTFSIGE-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44845;MM44845;C#CC(=N)N(O)C=NCC;CUUWICMTDIEFKF-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44846;MM44846;COC(=CC(C)=O)CO;NZHZHBRIJGNSRS-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44847;MM44847;COC(=CC(C)=O)CF;UFPSVMPQRKLEPV-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44848;MM44848;C=CC(C=O)C(N)=NOC;MGYZFKFGVOOVOA-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44849;MM44849;COC(=CC(=O)O)CO;RNNDBCRVEDYEHA-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44850;MM44850;CNC(C#N)CCF;CTGXTZGIMKCNQX-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44851;MM44851;C#CC(C)(C=O)NN=CN;AIQVIAHLMPDGHJ-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44852;MM44852;C=C(F)CNCC=NN;SJNNIAZKAJKOEV-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44853;MM44853;N#CC(CO)N(O)C=N;XXXZZLJXRZOSNT-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44854;MM44854;C=NN(C)C(=N)COC;WKWHVICWATYJPR-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44855;MM44855;CC#CC(C=O)N(C)C=N;MZJYGXYHIWJPPC-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16382;MM16382;CNC(=CC(=O)O)OC;JTNVHFLHLKPQSF-UHFFFAOYSA-N;131.13;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44856;MM44856;CC(=N)NN=CN(C)C=N;JPBOMSHUAIWCBF-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44857;MM44857;C=CN(O)C(=N)OC=NN;UDLVYKNPYPNJSD-UHFFFAOYSA-N;144.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44858;MM44858;N=C(NO)OC(=O)CF;GTQMDXJYBJXFQK-UHFFFAOYSA-N;136.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44859;MM44859;C=C(CO)N(C=N)N=CC;WNDFWJGXIIQQIX-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44860;MM44860;C#CC(=C)C(=NN)NO;GKLSAHIAWNYEQS-UHFFFAOYSA-N;125.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44861;MM44861;CN(CC#N)CC(C)(C)O;AOZOMIKXTOKSJU-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44862;MM44862;COC(=NC(C)=O)NO;ITSCWVYRNYTMEY-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44863;MM44863;CCN(CC#N)CC(C)O;FLMNIFQLICLKKB-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44864;MM44864;CNC(C)(C#N)CC(C)O;DOOISOSUGORDMX-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44865;MM44865;C=COC(C#CCN)OC;CKOVMYJYNGWXJO-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44866;MM44866;COC(=NC(N)=O)NO;PSANVZWMWAXTOH-UHFFFAOYSA-N;133.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44867;MM44867;C=C(C)C=C(C=O)CO;AJKWJQFJFYTZQX-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44868;MM44868;C=CC(=CC(C)=O)CO;AVOQRTMVNIXLSY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44869;MM44869;CC(=O)C=C(C#N)CF;OSBKQJGYALGKEH-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44870;MM44870;C#CC(=NOC)N(C)C;AHVAWSGUARWHFS-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44871;MM44871;C=CCC(NC)C(C)=O;TYHUJZSDVHWYBR-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44872;MM44872;C=CC(=CC(=O)O)CO;SNGRFYIPSIGGOA-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44873;MM44873;C=C(F)C=C(C=O)CO;OGDXTMRYZQOCCI-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44874;MM44874;CNC(C=O)=CC(C)=O;XIKOUEFCIQUKAS-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44875;MM44875;CNC(C#N)=CC(C)=O;UHRRNEPCVZCPHW-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44876;MM44876;N=C(NN)N(C=O)C=O;MLWUYFGTRBYITM-UHFFFAOYSA-N;130.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44877;MM44877;CN(C)C(C)(C#N)CCO;CSANKYKFIFLPHV-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44878;MM44878;CNC(C#N)=CC(N)=O;ANUTYPIBSVGSSG-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44879;MM44879;CNC(C=O)=CC(=O)O;YNKWSWXCJCRIKJ-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16153;MM16153;CNC(C#N)=CC(=O)O;AYHQINYUOHEFGL-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44880;MM44880;N#CCCNCCC#N;SBAJRGRUGUQKAF-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44881;MM44881;C#CCC(C)NC(C)C#N;GVFCGVPMJSGITP-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44882;MM44882;C=NNC=NNCCN;PQIIIUROXMBXIB-UHFFFAOYSA-N;129.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44883;MM44883;COC(C#N)=CC(N)=O;NUAGFAZAFQTAAJ-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16276;MM16276;COC(C=O)=CC(=O)O;FUFCHKZCGGNJLZ-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16131;MM16131;COC(C#N)=CC(=O)O;AHWXZTFBDXDQJK-UHFFFAOYSA-N;127.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44884;MM44884;C#CC(=CC(C)=O)CO;BRPWFSOCCLRMNK-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16550;MM16550;C#CC(=CC(=O)O)CC;KLFJEUXZURZZGA-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44885;MM44885;C=CN(N=C)C(=O)C(=N)N;WYZYAAAIRVHVSA-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44886;MM44886;C=NNC(C)=NNCCN;AOYXOTHXOWVZTA-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16332;MM16332;C#CC(=CC(=O)O)NC;RHDLTYSHEBXQRX-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44887;MM44887;C#CC(=CC(N)=O)OC;XWWBULPMGDTCRS-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16405;MM16405;C#CC(=CC(=O)O)OC;ITRFJNPGSUSBGB-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44888;MM44888;CC(=O)C=C(C=O)C=O;NYDFVVYQYLOBKL-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44889;MM44889;CC(=O)C=C(C#N)C#N;LNCWVVRYZKDRQE-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44890;MM44890;C=CN(N)C=NC(=O)OC;XLOJDEPAHUZDTK-UHFFFAOYSA-N;143.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44891;MM44891;CC=CC(=NNC)NC=N;PYYWNBYFUBGDGO-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44892;MM44892;C=COC=NNCCN;ALUVXJHUBFGXJD-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44893;MM44893;N#CC(C#N)=CC(N)=O;MFAVJHOIWQSZNX-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16149;MM16149;O=CC(C=O)=CC(=O)O;IGYADEIPRIBRQN-UHFFFAOYSA-N;128.08;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16097;MM16097;N#CC(C=O)=CC(=O)O;FXASYUOEQMQDNK-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44894;MM44894;CC=NOC(=N)N(N)C=N;HJWRINTVIVOAGZ-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44895;MM44895;C#CC(C#N)=CC(N)=O;GCOLCEFZASERBQ-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16231;MM16231;C#CC(C=O)=CC(=O)O;MORSAIFALIXBHL-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44896;MM44896;C#CC(C#C)=CC(C)=O;IOBYPBJKKVPHNE-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44897;MM44897;C#CC(N)=C(C=NN)OC;ODHWZZABDRQWTH-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44898;MM44898;C#CC(C#C)=CC(N)=O;AFGICMYSGYSMHQ-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44899;MM44899;C#CC(C#C)NCCC#N;UTFQXVDSPQNKJQ-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44900;MM44900;C#CCNCC(C#N)=CF;VOMRSHGSRMKWCO-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44901;MM44901;CCC1(CC)OC1(C)C;ZVTGFJFVAAPMBD-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44902;MM44902;CC(C#N)N(C)C;GQJKKKULUSFWSC-UHFFFAOYSA-N;98.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44903;MM44903;CONC(=N)C(C)(C)F;OVVOXAKFQKQQRP-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44904;MM44904;C#CC(C)OC(=NN)NN;JUGQPFRQVVBHSP-UHFFFAOYSA-N;142.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44905;MM44905;C=CNC(CON=C)=NN;NSWNVZXWCSLELX-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44906;MM44906;CC(F)CCNCC#N;DZOCEAQPHOOPHC-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44907;MM44907;C#CCCNC(C)(C)C#N;GBWCRKKJAQNCJF-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44908;MM44908;COC=C(NC=NN)OC;GYSHSLIJOOASSF-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44909;MM44909;CN=CN=C(N)C#CC=O;LELWCXDGNQSFFJ-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44910;MM44910;C#CC(C#C)(CC#N)NC;GSFBRXFXNFREDY-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44911;MM44911;C#CC(=N)N(C)C(=N)C=O;KACAGNZKIHRFNQ-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44912;MM44912;CCC(F)CCNCC#N;VVBZZNLGCAFCDW-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44913;MM44913;CC(F)COCCCO;PHOXWFBNGJTHQN-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44914;MM44914;C=C(C)OC=NNCCN;NGQPMEGCZLQIDY-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44915;MM44915;CNC1(C#N)CC1C;NESPOODNTOREDE-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44916;MM44916;CCC1(C=O)NC1C;WKFUZDSBDIUURI-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44917;MM44917;CCOCOCC(C)O;ASBADYHDBHSDSR-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44918;MM44918;C=C(C#N)OC(=O)C(=N)N;ZLLFXYNSXCAUOM-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44919;MM44919;CC(=N)N=CN(N)C=CF;ITYVJTBHFUQRBJ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44920;MM44920;C=NOC(=N)N(N)C(=C)C;BSDSIMVZFINHFN-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44921;MM44921;CC(C)OCOCCO;UAPZUNOBLAEYMQ-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44922;MM44922;COCOCOC(C)C;OQKUUWPYNQCFNL-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44923;MM44923;CNC(C#N)CC(F)CF;GPPMSWIECZJTFA-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44924;MM44924;C=CN(N)C=NOCOC;ZPQAEQOIIPXQFJ-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44925;MM44925;C=NN=C(OC)N(N)C=N;LDDVZGOLCHWWNY-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44926;MM44926;CCON(C=N)C=NC=O;VTOZULMNEQRJEO-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44927;MM44927;CC(F)CCCOC=O;XJSWWISRGTZQRJ-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44928;MM44928;CNN=CCNCCC#N;DRIAYZXLJXIQKI-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44929;MM44929;C=NN;IDBOAVAEGRJRIZ-UHFFFAOYSA-N;44.06;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44930;MM44930;CON=CC=NN;VEARBFPXCPWSRN-UHFFFAOYSA-N;101.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44931;MM44931;C=CN(C)C(=N)C=O;WWUZBLVXSBQGBC-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44932;MM44932;CC(O)CCOCC#N;QBDIEAGYUMWIIQ-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44933;MM44933;CNCC(C)(C#N)C#N;VZOUWSJHXMBXLL-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44934;MM44934;CN=C(NC)C(=O)OC;IGTFTWRKDJXWEV-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44935;MM44935;C=NNC=NCCC;HWEGTOCMEMIYET-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44936;MM44936;CNN=CC(CC#N)NC;XSRATUHCVDXGRX-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44937;MM44937;C#CC(C=NOC)=C(N)N;XKBBQABMMWNQAU-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44938;MM44938;CC(O)COCCC#N;XMNLDCOELXPHHP-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44939;MM44939;CC(F)COCOC=O;ACIBNNSSPABEKZ-UHFFFAOYSA-N;136.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44940;MM44940;COC(N)=CC=NO;SKUSCBZEBAMATL-UHFFFAOYSA-N;116.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44941;MM44941;C#CC(C#C)NCC=NN;DOQXHBNPXXLGAK-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44942;MM44942;CN(C)C=NC(=O)C=CF;FIDYXKMHJXNXBF-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44943;MM44943;C#CCNC(C#C)CC#N;BXKZLHBLKCQADN-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44944;MM44944;CC(C)OCOCC#N;HDOPKRJFOSCUDM-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44945;MM44945;CC=NN(C=N)CCC#N;NEDHZACHOMSTCO-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44946;MM44946;C#CC(=CN)C(C#C)=NN;XYKSDYGBEVMPLZ-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44947;MM44947;C#CC#CC1CN1;ZDQCDKXWAVOORY-UHFFFAOYSA-N;91.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44948;MM44948;C=CC(=O)C(N)=NCC;UBCWRQJCABQMJL-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44949;MM44949;CC=COC=NNCCN;IHGLPQJPWIINNI-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44950;MM44950;CC=CC(C=CN)=NO;PKARTTCLSSQATF-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44951;MM44951;CON(C=N)C=NC=O;ZOLVJYSMWHTLOY-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44952;MM44952;CC(F)=CN(N)C=NC=N;NSMCEPBXURGWQC-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44953;MM44953;C=C(C)N(N)C=NOC=O;KSZZOGODTGNONX-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44954;MM44954;C=CC(C=CN)=NO;VETUDKMFANSTIY-UHFFFAOYSA-N;112.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44955;MM44955;C=C(C)CCOCCO;PYPLZIXSJMVSEH-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44956;MM44956;COCOCCC(C)=O;BHSLFPHPHXHBTB-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44957;MM44957;C=CN(N)C=NOCCF;PUIIEOZYKUEYCG-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44958;MM44958;CCCN(C=N)N=COC;WKCCJXLLJFYVHO-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44959;MM44959;CCOC=NNCCN;BECFQGMZFQAJML-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44960;MM44960;C=CN(N)C=NOC;QWIIZNJFPOYMIB-UHFFFAOYSA-N;115.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44961;MM44961;CC(CCF)NCC#N;HVPWZWWGINGAMN-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44962;MM44962;CC(=O)COCCCF;DJZXRKWTWDYXPI-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44963;MM44963;C=CN(N)C=NOCC;FZTGKUUVPQKIQX-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44964;MM44964;COCCOCC(C)=O;MSYGEAQDQJEOCJ-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44965;MM44965;CCOCOCC(C)=O;JKVSMZHEBGMMQU-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44966;MM44966;CCOCOCC(N)=O;FKXIOZYYKLIWQA-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(ethoxymethoxy)acetic Acid";MM03571;CCOCOCC(=O)O;HRARQIAGSKMHMV-UHFFFAOYSA-N;134.13;0.08;116414647;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44967;MM44967;C#CC(C)CN(C=N)N=C;RJRKQIJFCJFXHV-UHFFFAOYSA-N;137.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44968;MM44968;CC(=O)NCCCCF;OSYIGZSQARXLDX-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44969;MM44969;C=CN(N)C(C)=NOC=O;IMXMRZPFMARKEW-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44970;MM44970;C=NOC=NN(C=N)CC;HUIUCKPDFSRDNI-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44971;MM44971;CCOCCNC(C)=O;VNVZKKJQVMBZNN-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44972;MM44972;CNC(=N)C#N;UDTUXNKIPZKVOE-UHFFFAOYSA-N;83.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44973;MM44973;CCCCONC(N)=O;RDEAKCXMQCTSEB-UHFFFAOYSA-N;132.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44974;MM44974;COCCONC(C)=O;WCZFXGKWZXYBFM-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44975;MM44975;CN(N)C=NN(C)C=O;YXJCQYVHTJHBKU-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44976;MM44976;C#CCN(N)C=NC=O;VCXDMHITJXRZTI-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44977;MM44977;C=C(C)OCOCCO;IMEDGRZFHPZGNM-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44978;MM44978;O=CCCCCC(=O)O;PNPPVRALIYXJBW-UHFFFAOYSA-N;130.14;0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44979;MM44979;C=NN=CC(=N)NOC;DQJNJZDAUQOZFT-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44980;MM44980;CCNC(C#N)CCF;BJRLGWOKAISHFS-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44981;MM44981;C=CC(C)(O)C(=N)NN=C;SBRXFPCLBJHEOA-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44982;MM44982;C=CC(=NC=O)N(C)C;BOLZPOPILFHIRZ-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44983;MM44983;CC(C)OC=NNCCN;PPCWNVVIGRLLJA-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44984;MM44984;C=COC(C)=NNCCN;KTOYIDXINLLQQA-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44985;MM44985;CC(=O)CCOCC=O;PCTNEDXGPPKILJ-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44986;MM44986;CC(=O)CCOCC#N;JTZUFVOMUYOLAR-UHFFFAOYSA-N;127.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44987;MM44987;C=CCOCCC(N)=O;TYIQJGCVKHEACW-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44988;MM44988;C=NNC(=N)CC(=O)C#N;XSGQWOAZRHNRGF-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44989;MM44989;C=NN(C=N)CCC#N;OKZJLGJLGAWIBE-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44990;MM44990;C=NN=C(C)N=CNC=N;DMZPATVWJSCLFC-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44991;MM44991;C#CC(=C)OC(=O)C(=N)N;VYQFBHGPRQNNLE-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44992;MM44992;C=CC(=NN=C)N(O)C=N;UEVYBQUTIHJQJN-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44993;MM44993;C=CCCOCC(C)=O;AVDGFPKOHWFKTO-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44994;MM44994;CC(=O)COCCC=O;YQVNTBZNRDZZHV-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44995;MM44995;CC(=O)COCCC#N;YIYVXIWXWRWRAV-UHFFFAOYSA-N;127.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44996;MM44996;CC(=O)N(C)N=CN(C)N;OSCXFAZIIOZNPP-UHFFFAOYSA-N;144.18;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44997;MM44997;C=CCCOCC(N)=O;KXWHDKWPKPTONY-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44998;MM44998;N#CCCOCC(N)=O;IXIATRRLXRDOHB-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM44999;MM44999;C=COCOCC(C)=O;PCMZHUHRNHEKCL-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45000;MM45000;CC=NN=CC(=N)NOC;IYHYQYIJHTWNDW-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45001;MM45001;C=CCCCNC(N)=O;VIVQFQRGRQHKHL-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45002;MM45002;C=COCCNC(C)=O;JAMVTIBAFSYSQP-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45003;MM45003;N#CCCNNC(N)=O;YBNHSRZDUIAKDE-UHFFFAOYSA-N;128.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45004;MM45004;C=CC(=NNCCN)OC;GKXMZANJZITARP-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45005;MM45005;N#CCCONC(N)=O;CIMZOKYJHBDZCI-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45006;MM45006;CON=C(C)C(N)=CC#N;XMHKDMUJIJNHDW-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45007;MM45007;C=COCONC(C)=O;IWVQOWMJEFQZPC-UHFFFAOYSA-N;131.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45008;MM45008;CNN=C(OC)C(=N)NC;WZBYLKZDIITMCO-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45009;MM45009;CC(=O)OCCCC=O;OZTUJRSHRYXRFW-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45010;MM45010;CN(CCC#N)C(=N)C=O;LPYXNVYPLMEWDV-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45011;MM45011;C#CCNC(C)=NOC;NBOKQQYMOPDFOT-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45012;MM45012;N#CCCCOC(N)=O;QGRCTWQOHFPZLQ-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45013;MM45013;C=C(C)OCOCC=O;WLMNRRPBMSLBFL-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45014;MM45014;C=CCOCOC(N)=O;WMKOYAOKCMYGIA-UHFFFAOYSA-N;131.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45015;MM45015;C=CCNCC(F)C#N;ZPJNHOWXLXGJIJ-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45016;MM45016;C#CCOCCC(C)=O;ORXNPPSEQSHPGO-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45017;MM45017;C#CC(C)(C)C(=O)C(=N)N;SSDMFGZZKJARNX-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45018;MM45018;C#CCOCCC(N)=O;XGCXOESBTLLHKY-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45019;MM45019;C#CCN(C)CC(=O)OC;VDXGEYFRGQWOEQ-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45020;MM45020;C=CC(C)CNCC=O;YWGRHDXLZJTURX-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-but-3-ynoxyacetic Acid";MM03552;C#CCCOCC(=O)O;CSCYIHSLRZZOIB-UHFFFAOYSA-N;128.13;0.11;19373374;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45021;MM45021;CCC(C#N)(C#N)CNC;HQDUJTDYNXKTQE-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45022;MM45022;C#CCCONC(C)=O;SRAKXGJJBSTZPW-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45023;MM45023;C#CCOCOC(C)=O;QKAJNUWFQOQPDR-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45024;MM45024;CCN(C=N)N=C(C)OC;SIRGZRZKLJCYSX-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45025;MM45025;C=C(F)C(=N)N(C)O;QMADCNBGOGBVDX-UHFFFAOYSA-N;118.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45026;MM45026;C=C(OC)C(=O)C(=N)N;HPHITSMMKXIMQT-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45027;MM45027;CC(=N)N(CC#N)C(=N)N;LZBWMZQFVZNVJW-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45028;MM45028;C=C(C=O)OC(=O)C(=N)N;SZNUYTQYOKCPJJ-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45029;MM45029;CN=C(C=NN)N(C)O;XEUHNMDFHOFWAO-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45030;MM45030;C#CC(C)(C#N)C(=N)NO;MWBKPNKYNXJSQB-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45031;MM45031;CC(C)OCOC=NO;FITFKAXRBSAHOA-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45032;MM45032;C#CC(=N)N(C)OC(C)=O;PEAWGPQIKDKFOG-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45033;MM45033;C=NN=C(N=CNO)NN;KUDYUCHNUIHEGY-UHFFFAOYSA-N;144.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45034;MM45034;C=NOC(=O)C(N)C#CC;XYOMYMPLBGTACG-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45035;MM45035;CNCC#N;PVVRRUUMHFWFQV-UHFFFAOYSA-N;70.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45036;MM45036;CNN=C(NN)OC(C)C;SXHOVCUISVVCCT-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45037;MM45037;NC(=O)CCOC=CF;FVHYOIKWWKYDDC-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45038;MM45038;CN(N)C=NC=O;ATZSMIPORMJYBA-UHFFFAOYSA-N;101.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45039;MM45039;CNC(C)(C#N)CCF;HURGAGIRRBWJRG-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45040;MM45040;CNC(=N)C(=O)COC;NBWIURSPVAKOMF-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45041;MM45041;CC(=O)NCCC=CF;ZIXQMKBEIZHAAU-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45042;MM45042;CON=CC(C)=NN(C)C;JDVVJNZZMFNMFT-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45043;MM45043;CC=CCCNC(N)=O;YVIAHQFOEBTEOU-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45044;MM45044;CCCC(=O)N=CN(C)N;VWOJWBJRTMJQKG-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45045;MM45045;CCOCC(=O)C(=N)NC;CHZGDRJFLNBZFQ-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45046;MM45046;NC(=O)OCCC=NO;RWDMKDPVJSKFCR-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45047;MM45047;NC(=O)OCOC=CF;UXDZVXNZWAGQFI-UHFFFAOYSA-N;135.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45048;MM45048;C=NNC(=N)ONC(=N)N;JZWVWSUWJZKCMU-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45049;MM45049;C#CC(OC)C(F)CNC;GKNNPHKJLBQYJT-UHFFFAOYSA-N;145.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45050;MM45050;CC(=O)OCOC=NO;IEWIQLBFYYAJHN-UHFFFAOYSA-N;133.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45051;MM45051;CCNN=C(NN)OCC;NICOGKYKGANVOP-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45052;MM45052;C#CC=CC(=O)C(N)=NC;UXLCHZOQDANDOR-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45053;MM45053;CC(=CF)N(N)C=NC=N;UHKSGWCALOBSOL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45054;MM45054;C=COC=NN(C=N)CC;KVPYFVAKNLXKTQ-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45055;MM45055;C=CC(N)CNN=CCF;ZGKOPXVVKSYPMX-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45056;MM45056;CN=C(C#CC=NO)NC;IBYWAEBSPJCFOE-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45057;MM45057;CC#CCONC(N)=O;LKMVQLVNPNQGOV-UHFFFAOYSA-N;128.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45058;MM45058;C=CC(=O)N=CN(C)N;WYDGZKKNADDGGH-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45059;MM45059;CCOC(=CC=NO)CN;PJPLHMRVISNZEE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45060;MM45060;CCON=C(C)NN(C)C;WTBNHHBBXVRDES-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45061;MM45061;COC(=NC=N)NN;LYTPVRIWPDXUPB-UHFFFAOYSA-N;116.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45062;MM45062;CC(C#CC(C)N)=NO;AGFFROUMZDUYIH-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45063;MM45063;C#CC(OC)C(=NN)NN;MHWOYBZNUUUXRB-UHFFFAOYSA-N;142.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45064;MM45064;CC(N=CNC=CF)=NN;LBPAXTHUNMAFQM-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45065;MM45065;CC(O)COC=CCO;AAYAGVDRYKKTAY-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45066;MM45066;COC=COCC(C)O;JTSFXRQYEJEXGZ-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45067;MM45067;C=CN(N)C=NOC=NN;UBNDHEJWHOGMFK-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45068;MM45068;CNC(C)C(C)(C#N)C#N;AGFSSZXEMTXVLP-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45069;MM45069;C=CCNC(=NC=N)OC;CKRSBQVQQVJZEH-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45070;MM45070;CCNCC(C)(C#N)C#N;SEWYBJDGBZNLKT-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45071;MM45071;CCNC(=N)C(C)(F)C#N;HFRMRSODEGPSGE-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45072;MM45072;C#CC(=C)C(=NOC)NN;OJIPSQYHPPNLIA-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45073;MM45073;C#CC(=CN)C(C)=NOC;OIOUUNVNVRVLJU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45074;MM45074;CN(C)C(=N)C#N;CKAWOLIKAXRHQI-UHFFFAOYSA-N;97.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45075;MM45075;CC(C=CC#CCN)=NO;QJHLMCLYDHVJCR-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45076;MM45076;CC(O)CNN=CC#N;NFOQJYPDUFDGIA-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45077;MM45077;C#CC(C)ON=CNN;AVQFZRAXTAWUAB-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45078;MM45078;CC(=O)C(C#N)NN=CN;DLVQXLJVGQVCHN-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16072;MM16072;N#CC=NNCC(F)F;UIQWHWFJMHYZNB-UHFFFAOYSA-N;133.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45079;MM45079;CC(O)COC=CC=O;OJZHGPUBMHGARD-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45080;MM45080;CC(O)COC=CC#N;IRJHCTGDWYXJAB-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45081;MM45081;C#CC(=N)N(C)OC=O;UPSZVAPAVAFGAY-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45082;MM45082;C=NN=COCC(C)O;BNRGTFUCDAIIRM-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45083;MM45083;C#CCCN(C=N)N=C;FNQLKIVSEORWRR-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45084;MM45084;C=NN(C=N)C=C(C)CF;WHMPOHASHZEVQI-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45085;MM45085;COC=CC(C=CN)=NO;DLRRJQSPZFOJSH-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45086;MM45086;CC(C)NN=CNC=O;YMMXXLMDHQHSQN-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45087;MM45087;CC=CC(=NO)N(O)C=N;XFQXHBRTHNHWJY-UHFFFAOYSA-N;143.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45088;MM45088;CC(=NO)NC(=N)CC#N;FTNCWNFZBNIFQT-UHFFFAOYSA-N;140.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45089;MM45089;CON=CN(C)CC=NN;ZXGRMQVXAMFVPS-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45090;MM45090;C#CC=CC(C=CN)=NO;WCZRWARMSVKBSH-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45091;MM45091;C=CCN(OC)C(=N)OC;TVHACDGXKLBISB-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45092;MM45092;O=C(O)CCC=CCO;GMHRXXGPLXKTCN-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45093;MM45093;N#CC(O)C(=CF)NC=N;GAICYLFBCGBICK-UHFFFAOYSA-N;143.12;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45094;MM45094;CC(=NC=O)N(C=N)C=N;ZKCOXKNDTFYUGK-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45095;MM45095;CCC(C=NNC=O)NC;VLVXQLGFTYQBFT-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45096;MM45096;COCC=CN(N)C=NO;NXKWOFNNNNFNFF-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45097;MM45097;CNN=C(CC#N)NNC;ACSCZQMVKALIJK-UHFFFAOYSA-N;141.18;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45098;MM45098;C=C(C)C(O)C#CC(C)N;YMKCFTBSOPBXOF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45099;MM45099;CC#CC(=N)N(O)C(=N)N;RIOWXMXATHPASZ-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45100;MM45100;COC=COCC(C)=O;WJLBMOIVWLNXGH-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45101;MM45101;C=NOCCCNCC#N;DEFXUZRZZNIUFR-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45102;MM45102;COC=COCC(N)=O;MXHCHWZSDGIDKG-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45103;MM45103;CC(=CC#CCN)NC=O;YIUSGAPFJNBTSG-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45104;MM45104;CC(C)=CN(N)C=NO;XOVIJFCXKRIGIS-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45105;MM45105;C#CCN(N)C=NN=C;ZRTQPNVMFSPNMD-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45106;MM45106;CC(O)C(=NN)N(C)C;AQICMBZKOGHSCK-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45107;MM45107;CC(C)N=C(NN)C(C)O;ABYSFFMUMOYRJT-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45108;MM45108;C#CC(N)C(=O)ON=C;LNVHYHWFXYHRDL-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45109;MM45109;COC=NOCC(=O)O;WMVWMTIPNULOPT-UHFFFAOYSA-N;133.1;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45110;MM45110;CNNC(=O)C(=N)NN;TUDNNPBMWRYSBL-UHFFFAOYSA-N;131.14;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45111;MM45111;CCNC(C)(C#N)C(C)O;VVWKNOVCTGJZNG-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45112;MM45112;CN=C(OC)N(C)OC;BLPVJELJYMBELJ-UHFFFAOYSA-N;132.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45113;MM45113;C=CNC(=O)C(=C)NC=N;IEXMMEMEJXIQNX-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45114;MM45114;CCC(=NOC)NN(C)C;WNDQEBJXWFDTGC-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45115;MM45115;CC(=O)OCC=CCO;MIKNOVPHRJOEBB-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45116;MM45116;C#CC(N)C(=O)ON=CC;DUYNRPXFFMTKIE-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45117;MM45117;CN(C=N)C(C#N)=C(F)F;IDRMLVQJWUKXLE-UHFFFAOYSA-N;145.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45118;MM45118;COC(=CF)N(C=N)C=N;PJDVTHAIWOGTIJ-UHFFFAOYSA-N;145.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45119;MM45119;C=CC(=NOC)N(O)C=N;VEDONWKDCUMGSK-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45120;MM45120;CCNC(C#N)(CC)CO;UCWYZTKQOUEFML-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45121;MM45121;CC(CF)CNCC#N;KLMPLEFHLWOQAY-UHFFFAOYSA-N;130.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45122;MM45122;CCCNC(C)(C#N)CO;GZBAGWPYDAKUIY-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45123;MM45123;N#CC=CCCC(N)=O;NYQNODQCKGVMCJ-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45124;MM45124;C=NN=CCCC(=O)O;DMEFHAOAEVVMQR-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45125;MM45125;C=C(C)CNC=CC=O;PUJKPXNWHMAGNH-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45126;MM45126;N#CC(=N)NC(=N)NO;NJJVDDHMVISAHU-UHFFFAOYSA-N;127.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45127;MM45127;C=C(C#N)CNCCF;DSYWZVMAJRUKHP-UHFFFAOYSA-N;128.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45128;MM45128;C=CC(C)ON=CNN;QOOIPQFREBZLIO-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45129;MM45129;C=C(C)CC(N)C#CCO;YBCGRAHRSUPINP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45130;MM45130;C=NOCC(=NC)NO;YPWIRENBOGWOLU-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45131;MM45131;CC(=O)CNN=CC#N;QJYCRNOJXXWPEJ-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45132;MM45132;CN=C(NO)C(C#N)=CN;OGQGMOYYLAHFDX-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45133;MM45133;N#CC=NNCC(N)=O;LUBUMVWKQAXRJE-UHFFFAOYSA-N;126.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45134;MM45134;C=CC=NNCC(=O)O;BEUFVGHVNPTNFK-UHFFFAOYSA-N;128.13;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45135;MM45135;N#CC=NNCC(=O)O;VJOZCUOEMNWEOA-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45136;MM45136;CNC(C#N)CCOC;FNDMEJVONDTFDT-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45137;MM45137;NC(=O)COC=CC=O;SWTMDVOCPYUBGR-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45138;MM45138;N#CC=COCC(N)=O;WYORFIPTSMNFQU-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16176;MM16176;N#CC=COCC(=O)O;MOQVWLPMYPBETR-UHFFFAOYSA-N;127.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45139;MM45139;C=NN=COCC(C)=O;NMEDUOQSTKTQLQ-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45140;MM45140;C#CCN=C(NN)OC;LWIFLBIVMDSJAP-UHFFFAOYSA-N;127.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02766;MM02766;CC(=O)CON=CC#N;PWHCLFTVXDVEPT-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16353;MM16353;C=CC=NOCC(=O)O;UNBCSSJLJCBCGD-UHFFFAOYSA-N;129.12;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45141;MM45141;N#CC=NOCC(=O)O;QEWRBUXMTMZTND-UHFFFAOYSA-N;128.09;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45142;MM45142;CC(=O)NCC=CC=O;GGNGKITZWUEOHA-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45143;MM45143;CC#CC(=NOC)N(C)N;LXTBCVWIDOMCRF-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45144;MM45144;CC=NOC(=N)N(N)CC;GZVXLTWFCXELLD-UHFFFAOYSA-N;144.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45145;MM45145;C=CC=CCNC(N)=O;ORRNWXUSVYZBOA-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45146;MM45146;C=NN=CCNC(N)=O;FQCKCRKNBOMXFR-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45147;MM45147;C=CC#CC(C)(N)C(C)O;RDAJTFVSZSWMIJ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15438;MM15438;C=NNC=NNC(C)=O;ILVSLXMVKRAGEH-UHFFFAOYSA-N;128.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45148;MM45148;COC=CN(C=N)OC=O;JVRNAMKGXBPKSV-UHFFFAOYSA-N;144.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45149;MM45149;C=NN=CONC(C)=O;RLUSLEZRPUHDNY-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45150;MM45150;C=C(C)N(C=N)N=COC;DHRYYDINGGKCCU-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45151;MM45151;CC(=NN=CNO)N(C)N;IEAQPABBYCSZJC-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45152;MM45152;CN=CNN=C(N)C=O;JOMZPAXMCUKGHL-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45153;MM45153;C#CC(=NOC=O)N(C)N;UJTUVWJOUATYHA-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16392;MM16392;C#CC=COCC(=O)O;PTKXDDMPAKPWHY-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45154;MM45154;COC=CCON=CNN;OCENJUSZFJPUBX-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16340;MM16340;C#CC=NOCC(=O)O;XGTFFLMZCIDCFK-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45155;MM45155;C#CC=CCNC(C)=O;IZQWKAIWSHCSCI-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45156;MM45156;CON=CCON=CNN;KRSUEPTUCVZLRV-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45157;MM45157;CCC(F)C(=O)C(=N)NC;VDCOKDZNMYVYLB-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45158;MM45158;CCON=CNN;NXCORQCSQMZSID-UHFFFAOYSA-N;103.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45159;MM45159;CC(C=CNC=O)N(C)C;FANOVLSTOBMEQL-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45160;MM45160;CC(C)ON=CNN;BZWDLJXHCCFFTI-UHFFFAOYSA-N;117.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45161;MM45161;C#CC(C=NNC)=NNC;WBMHEGXKQNONCN-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45162;MM45162;CC(O)CC=CN(O)C=N;JLRHIVGUFWWAPB-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45163;MM45163;NC(=O)CCC#CCF;NBRRBSZTXCUAOS-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-hydroxyhex-4-ynoic Acid";MM03640;O=C(O)CCC#CCO;FQJZDGJJUHLKHG-UHFFFAOYSA-N;128.13;-0.15;18374136;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15481;MM15481;C=C(F)CCC#CCO;BMIUQHJNJXVCKS-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45164;MM45164;CCC#CCNC(N)=O;UJDJQADZFODCBM-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45165;MM45165;CCCON=CNN;CNXNNSHKXXCOMA-UHFFFAOYSA-N;117.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45166;MM45166;COC=NN=CN(C)N;MRCBJVHLVNHNGN-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45167;MM45167;C#CC=NN=CN(C)N;OJIGXFUZDQRXOU-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45168;MM45168;NC(=O)CCC#CC=O;SNROXIRLBMPMFN-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45169;MM45169;N#CC#CCCC(N)=O;NGUDOZLAVAEAAF-UHFFFAOYSA-N;122.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-oxohex-4-ynoic Acid";MM03465;O=CC#CCCC(=O)O;RWIWJNARWHICGQ-UHFFFAOYSA-N;126.11;0.05;57008178;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16169;MM16169;N#CC#CCCC(=O)O;SLAJWMAZSLQIQA-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45170;MM45170;C=NOC(=N)N(N)CC;UUEFCEYWWBMWBS-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45171;MM45171;CC(=O)NCC#CC#N;YPIGNLKGJFUQKA-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45172;MM45172;C#CC(=NOC)N(C)N;OLHFJIHUVONFPU-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45173;MM45173;COCCON=CNN;KXIIQOWDIRFRKQ-UHFFFAOYSA-N;133.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45174;MM45174;C=CC(F)C(=N)NCC#N;JTRUJOHJSKEFPI-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45175;MM45175;C=CC#CCOC(N)=O;TZGFSDBEHRKSKY-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45176;MM45176;NC(=O)OCC#CC=O;GGJKXIKTGFRHSK-UHFFFAOYSA-N;127.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45177;MM45177;N#CC#CCOC(N)=O;WRSHDXIZIULMIK-UHFFFAOYSA-N;124.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45178;MM45178;C#CC#CCCC(N)=O;KBJFMQPOMJSUHC-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45179;MM45179;C=CC(=C)OC(=O)C(=N)N;ACFHVQQGIZZMLK-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45180;MM45180;C#CC#CCNC(N)=O;BNYSKEVQWNFHQJ-UHFFFAOYSA-N;122.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45181;MM45181;C#CC#CCOC(N)=O;XVEOBQNSGSPCHY-UHFFFAOYSA-N;123.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45182;MM45182;COC(C)=NN=CN(C)N;QAGXYHADTODQIO-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45183;MM45183;COCCC=CN(O)C=N;XIIJSUOAJAVPFR-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45184;MM45184;C=COC=NN=CN(C)N;UQDZLZJUXBAXIF-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45185;MM45185;CC(CCF)ON=CNN;BOVYCTAICHCZHP-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45186;MM45186;CN(N)C(=N)N(C=O)C=O;RATYOKXIMIJDCT-UHFFFAOYSA-N;144.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45187;MM45187;COC(C)CON=CNN;MZDZDRHMFAXDHG-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45188;MM45188;C=CC(C=NOC)=NNC;XNZPGXFBXIYXMZ-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45189;MM45189;CON=CC(C=NN)=NN;LXAUIWNSYUTKIN-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45190;MM45190;C#CC(=NOCC)N(C)N;MDQYPOCUWYHWIL-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45191;MM45191;C=COC(C=CNN)=NC;MAGQUNRBAWIURR-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45192;MM45192;CONC(=N)OC=O;PRCIKDXWRMGTAX-UHFFFAOYSA-N;118.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45193;MM45193;C=CCNC(C=C)C(C)O;IGXOGUHOBKZEBJ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45194;MM45194;CC(C)OC=NNC=O;UKUGVGCUQCAFAE-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45195;MM45195;CON=CNN;JMNHRTFCCSITCJ-UHFFFAOYSA-N;89.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45196;MM45196;C=NN=CN(C)N;URPBBKFNGITXPJ-UHFFFAOYSA-N;100.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45197;MM45197;CC=NN=CN(C)N;HQUZEDFZCWCQNR-UHFFFAOYSA-N;114.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45198;MM45198;CCNC(C)(C)C(=N)NO;VZIJBTMEWUVEJI-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45199;MM45199;CC(C)=NN=CN(C)N;HIUUJFFLNIHYFC-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45200;MM45200;CCC=NN=CN(C)N;RWYPFJYSYQUQAE-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45201;MM45201;CC(=O)CC=CCCO;GHVKMVXMGQCMKU-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45202;MM45202;NC(=O)CC=CCCF;GUSPDXGQPMTMPM-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45203;MM45203;CN(C)CC(C)(CO)CF;AMOLXKPLKHSFGG-UHFFFAOYSA-N;149.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45204;MM45204;C=CC=NN=CN(C)N;IQJYYRJQUASYEZ-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45205;MM45205;C=CNC(=N)C(=O)OC;XBNNLNLDSXNFHN-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-ethoxyiminopropanoic Acid";MM03699;CCON=CCC(=O)O;HNQAITUJIRPZMH-UHFFFAOYSA-N;131.13;0.48;76225970;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45206;MM45206;CNC(C#N)C(C)CF;IPQTXNPVELVZGL-UHFFFAOYSA-N;130.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45207;MM45207;C=NOC=NN=CN(C)N;SHEBTOXQFVTKPJ-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45208;MM45208;CN(N)C=NN=CC=CN;CKIBXWDWCYJPCJ-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45209;MM45209;CCCN=CNC(C)=O;PCRUQTCHVUYPMP-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45210;MM45210;C#CCC(=NC=O)N(C)N;UNPDUDMFRNRXCM-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45211;MM45211;C=C(CO)C(C)(F)CNC;BKRDLABOEBIERE-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45212;MM45212;C=CC(CO)NCC(=C)C;UYKSJPRTKWMKIS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45213;MM45213;CC(C)NCC#CC(N)=O;IXFPCCBAGIVUIS-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45214;MM45214;C=CC(C=C)NCC(C)O;RDYRVBNAUXHRNN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45215;MM45215;CC(=O)NN=CCCO;AOBYHSWBVAJMKX-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45216;MM45216;CC(=O)NN=CCCF;NGZVTKFZLRFXCV-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45217;MM45217;CCC(C)(N)CN=CNO;YSSKQKJLVICUCM-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45218;MM45218;NC=C(C=NO)CCCF;LWVSMVFKYFUXMI-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45219;MM45219;COCC=NNC(N)=O;PWTYVINRDGUOHI-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45220;MM45220;CCOC=NNC(C)=O;SPKGMSLLGSSTIE-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45221;MM45221;CNCC(CC#N)NC=O;PGBTXLOBJOZEOS-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45222;MM45222;CCOC=NNC(N)=O;DUMDFLDSTLYZNJ-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45223;MM45223;CN(C=NC=N)C=NC=N;RFFGZRWWNWIRRM-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45224;MM45224;CC(=O)OC=CCCO;HYIGANJKOGXAAF-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45225;MM45225;CN(C)CC(F)F;IOFLCUURUWGMDN-UHFFFAOYSA-N;109.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45226;MM45226;CON(C=N)C=C(F)C#N;UAPKSYVBJPQRJB-UHFFFAOYSA-N;143.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45227;MM45227;C#CC(=CC#CCN)CO;PAVURUHVBRBSEH-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45228;MM45228;C#CC(=NN(C)C=N)OC;DSNVEUILVUIFOK-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45229;MM45229;CON=C(C=O)N(C)C=N;GKVGTLZTXOBENU-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45230;MM45230;COCC=NOC(N)=O;MJWIMLJCPTYSAG-UHFFFAOYSA-N;132.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45231;MM45231;CCNCC#N;VXAOLDZFARINGE-UHFFFAOYSA-N;84.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45232;MM45232;CCOC=NOC(N)=O;KSLOBRFVTFHXRI-UHFFFAOYSA-N;132.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45233;MM45233;CON=C(OC)N(C)N;HJVIEJSUVGDZCZ-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45234;MM45234;N#CCC=CCC(N)=O;DEALWVHZGTYBCS-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45235;MM45235;C#CCC(N)=CC=NO;SMIJHKLJQZIZSE-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02444;MM02444;CC(=O)CC=COC=O;VEPXEXFALFJWKX-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45236;MM45236;C=COC=CCC(N)=O;PQPRQWGPOLZDLG-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45237;MM45237;CC(O)CCNCC(C)F;AFTXEKKBWYXJHV-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45238;MM45238;NN(C=CCF)C=NO;VUUQYFRSURJMLE-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45239;MM45239;CC(=O)CC=NNC=O;UZGLSSRPPOVACY-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45240;MM45240;C=CC#CC(N)CCCO;PJUKTGLWBMZWBW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45241;MM45241;CN=C(NC(N)=O)C(C)C;FJQIEDVQHYQTGN-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45242;MM45242;CCN(CC=O)N=CN;GGOXDNXKUUFWJX-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45243;MM45243;N=CNC(N)=O;NSXXTVMAZMBOSO-UHFFFAOYSA-N;87.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45244;MM45244;CC(=O)NC(C)CN(C)C;AFVQXNYRIMCAAV-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45245;MM45245;C=NN=C(CF)N(C)N;XZDRTNWBGVRDSS-UHFFFAOYSA-N;132.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45246;MM45246;CC(=O)NC=CCC#N;FJYNSGWZTGQTCY-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45247;MM45247;CCN(C=N)N=C(C)C#N;JMEWJTGYHHTVAX-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45248;MM45248;C=CCC=CNC(N)=O;KYPXRIGSOGAVGG-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45249;MM45249;N#CCC=CNC(N)=O;HVLDADQQXSSXCA-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45250;MM45250;C=COC=CNC(N)=O;XPMILTOFJNOWKR-UHFFFAOYSA-N;128.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45251;MM45251;CCN=CN(N)C=NOC;AUUMAAZCCBSGQM-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45252;MM45252;C=CCN=CNC(C)=O;HYCSVVWESOQQEG-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45253;MM45253;C=NNC(=NO)N(C)CC;LGIAFZQJHFAMMJ-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45254;MM45254;N#CCN=CNC(N)=O;YELSOWPNMHKDRX-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45255;MM45255;CC=NNC(=NO)N(C)C;MUUWCQXHKGOMBO-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45256;MM45256;NC(=O)NC=NNC=O;LYGQZUZEOJBSMC-UHFFFAOYSA-N;130.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45257;MM45257;C=C(C)NC(=N)OCC=O;ZALXNRMCALAGFT-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45258;MM45258;CN=CNN=COCCO;ICVKLHSXTZNMND-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45259;MM45259;CC(=N)N(N)C(N)=O;PUFONCQRLMRJAY-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45260;MM45260;C=NN=C(CCO)N(C)N;UHTGXPHCCHMMMA-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45261;MM45261;CC(=O)NN=CCC#N;UUIFJYHWEHPRNU-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45262;MM45262;CCN(C)C(C#N)CCO;SCXNZIDHHJTGKT-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45263;MM45263;CC(C#N)N(C)CCCO;ZAMQAZMGIFJJEK-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45264;MM45264;C#CC(C=O)N(C)C=N;KPLNIHGVTDNVQQ-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45265;MM45265;N#CCC=NNC(N)=O;CWYOWMMHZCBECU-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45266;MM45266;CNC(=N)C(C#N)NC;ARLRYHYPHGWWOI-UHFFFAOYSA-N;126.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45267;MM45267;C#CCOC=NNC=NC;DDGSPNLTWUWVKK-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45268;MM45268;C=COC=NNC(C)=O;WMVNJYCJYRBDSW-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45269;MM45269;CC(=O)NN=COC=O;HEGVYDFIKVWAGX-UHFFFAOYSA-N;130.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45270;MM45270;CN=C(NC)OC(C)C=O;JXCZVNMPKLERNC-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45271;MM45271;C=COC=NNC(N)=O;KWIBEXKPKOMCAY-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45272;MM45272;CNN=CN(C)CC(C)N;ABTOKICLIQFANG-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45273;MM45273;C=NOC=NNC(C)=O;UIERZSOZZHJZFU-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45274;MM45274;C=NOC=NNC(N)=O;NQSQGQVRYAPOPQ-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45275;MM45275;CC(=O)OC=CCC#N;MKRMMZVJLMWNKE-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45276;MM45276;C=CN(N)C(=N)ON=CC;SZLHOIAGEOKQPY-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45277;MM45277;CC(=O)OC=CNC=O;DDVSCFIUOIEKPK-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45278;MM45278;CC(=O)OC=COC=O;VRTFEKVRUMEVOY-UHFFFAOYSA-N;130.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45279;MM45279;C=C(C)CCNC=NNC;YKLYHPKMVABZHS-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45280;MM45280;C#CC(=O)C#CC(=N)N;LMNYPXMZPZLUPN-UHFFFAOYSA-N;120.11;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45281;MM45281;C=NN=CNC(C)=N;OVAOJPKYPBVFAU-UHFFFAOYSA-N;112.14;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45282;MM45282;CN=CNN=COCCF;WPRMQOBVBUWVEC-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45283;MM45283;C#CC(C)N(N)C=NC=O;NVUIEULDTSRFQT-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45284;MM45284;C#CCNN=CN(C)OC;WPRPVDCEVRXNRJ-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45285;MM45285;CCOC(=NN)C(=N)NC;QHSSHUBRMLQKPA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45286;MM45286;N#CCC=NOC(N)=O;KWXFFKUBTYBEPY-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45287;MM45287;C=NN=C(C=O)N(C)C=N;XHHWWZVARFHGHS-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45288;MM45288;C=COC=NOC(N)=O;LRVQZFVGVVBYAD-UHFFFAOYSA-N;130.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45289;MM45289;N#CC=CN(C=N)OC=O;XNYJQWMFBNEPQG-UHFFFAOYSA-N;139.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45290;MM45290;CNN=C(CF)N(C)C;FMDYFFSDHGVAPB-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45291;MM45291;C#CC=CC(=NOC)NN;BBIIFOMXOKBNHJ-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45292;MM45292;C#CCN=CNC(C)=O;UTGUVLAUHBVACD-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45293;MM45293;CN(C)N(C=N)C(=N)C#N;IQKVVNSMEMIVIK-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45294;MM45294;C=CN(N)C(=NN)OC;LMEKLVZKNYXCNY-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45295;MM45295;C#CCC=NNC(N)=O;XQZKSDFZFCUMHR-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45296;MM45296;CC(C#N)NC(=N)CF;QHXXXDWLURIAEY-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45297;MM45297;CC(C)OC(=NC=N)NN;XHLGERUJRFCXNQ-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45298;MM45298;CC(C)NC=NC=NO;WSDNNXPEYLVXPO-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45299;MM45299;CONC(=N)C#CC#N;ZULSCUVBPGOPPS-UHFFFAOYSA-N;123.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45300;MM45300;CCN(C=NN)OC;PPZIZSGCMKNLSL-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45301;MM45301;CC(C)NN=CC=NO;VNUCSWZHGCTDOM-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45302;MM45302;C=CN(N)C(=N)ON=C;BFMSBXPSKYEDQX-UHFFFAOYSA-N;128.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45303;MM45303;N#CC=COC(=O)C(=N)N;IATHGWRQSSCJSM-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16537;MM16537;CC=NN=CCC(=O)O;CIWFNYCGRDALLW-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45304;MM45304;C#CC=COC(=O)C(=N)N;XEIVLSOHJMKYKD-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45305;MM45305;CC(=O)NC=CC=CF;UOHPOHZJSFCDFU-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45306;MM45306;C=COC(=C)N(N)C=NN;AGKPPMVZPDSIHQ-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45307;MM45307;CC=NN=CNC(C)=O;UTOWBZYRKWHZKB-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45308;MM45308;C#CC(=NN)C(=N)N(C)C;GWPAWMLZZORMCB-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45309;MM45309;CN=C(C)NC(C=O)=CN;WVKKGMNHHGEPLH-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45310;MM45310;CON=CC(=NN)N(C)N;IISGHYGNJUWXRJ-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45311;MM45311;CC(=O)OC=CC=NO;NFRSGYXJIUTQMX-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45312;MM45312;O=CC1CN1;XINHDFIDPBPOHI-UHFFFAOYSA-N;71.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45313;MM45313;C=NN=C(COC)N(C)N;CBFWRIAAIBYRNK-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45314;MM45314;C=CCCN(N)C=NC=O;UFVNCFQPOJTQOJ-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45315;MM45315;C=NNC=NC(N)=CC#N;ROKQXACEHFMMML-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45316;MM45316;NC(=O)ON=CC=NO;NUUWPOXQETYHLW-UHFFFAOYSA-N;131.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45317;MM45317;N#CCNC(=N)OC=O;AKKGONAFQAULKI-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45318;MM45318;CC#CC=NNC(N)=O;BZIVGKOZSRKPPW-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45319;MM45319;CON(C)C(=N)C#CC=O;ONSARUOKVAQYAN-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45320;MM45320;CC#CC=NOC(N)=O;BIDAFZQYUMCVOP-UHFFFAOYSA-N;126.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45321;MM45321;N#CCN(C=N)C=NC=O;HZAFJNONTFOVKY-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45322;MM45322;CN(N)C(N=CNO)=NO;BUMFZSYBBKJGHR-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45323;MM45323;CC(O)CC#CCCO;QACYJJJFKRYOJD-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45324;MM45324;C=NN(C=N)C(=C)CC#N;BIJHHSZSWTVKPJ-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45325;MM45325;CNC(C)C#N;MTKGPLGETVCLCF-UHFFFAOYSA-N;84.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45326;MM45326;CC(=O)CC#CCCO;WGWGNLQQPSMNEN-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45327;MM45327;NC(=O)CC#CCCO;SPVSTTHSBSGYOZ-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45328;MM45328;NC(=O)CC#CCCF;OLNYBKWDJABIRB-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45329;MM45329;O=C(O)CC#CCCO;HYZGOIKULMOKHT-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45330;MM45330;C#CC(=N)NC=COC=O;ZJEDQRPOSPGEAY-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45331;MM45331;C#CCN1CC1C;FNHJAXSZXTZPAQ-UHFFFAOYSA-N;95.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45332;MM45332;COCC#CCC(N)=O;MZZBBCYHMBXYFF-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-methoxypent-3-ynoic Acid";MM03570;COCC#CCC(=O)O;VGMLBOBLITTYFU-UHFFFAOYSA-N;128.13;0.11;55299210;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45333;MM45333;CC(O)CC(=NO)N(C)C;JUIBHVAGZLEKON-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45334;MM45334;N#CCC#CCC(N)=O;WXCJRJPTXMUKDN-UHFFFAOYSA-N;122.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16428;MM16428;O=CCC#CCC(=O)O;QGAHCXGGNOXQJF-UHFFFAOYSA-N;126.11;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16183;MM16183;N#CCC#CCC(=O)O;NKVVMQUGFAELMT-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45335;MM45335;CC(=NO)NCCC#N;YGGKIAWRFGURAN-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45336;MM45336;CC(C)NC(C)C=O;BEHZSJFKQMFTOB-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45337;MM45337;C=CCNCC(=O)OC;NXDPEGBGHJHNSR-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45338;MM45338;CC(=O)CC#CC=NO;PUNASERUZBLNIU-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45339;MM45339;C=CC(=NC=O)N(C)N;AAZBDIAGKFOXNF-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45340;MM45340;CCNC(C#N)CN(C)C;ZBRYBCUVAYTTBM-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45341;MM45341;C=CN(O)C=NCC#N;LTWHXWWABYWVLI-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45342;MM45342;N=C(N)C(=O)OC=CC=O;OQZRXOXPAPWGNE-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45343;MM45343;C=C(C)C(=NC=O)N(C)N;UGGNYPLHWKOQFS-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45344;MM45344;NC=CC=NNC=O;STULQNDOKKKECL-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45345;MM45345;C#CC(=N)NOC(=O)OC;IDMXEWVUTFJABI-UHFFFAOYSA-N;142.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45346;MM45346;COC(N)=CC(CF)=NN;CBHJRFVSWASGHT-UHFFFAOYSA-N;147.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45347;MM45347;COCOC=CC(C)O;PORKBXAYDAUUIX-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45348;MM45348;C=NN(C)C(=N)C=CC=O;NRWITILBKWFDNE-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45349;MM45349;CCN(CC#N)C(=N)CF;VCMGBNGOYOBKJW-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45350;MM45350;CNC(=N)C(C)(C#N)NC;USWPQZPBPJWTMI-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45351;MM45351;C=CN(C=NC=N)CC#N;CAUQEFICUZQZMC-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45352;MM45352;C=CC(NC)C(=O)OC;XZYBOHDIMHDCND-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45353;MM45353;N#CC(=CF)N=CNC=N;GATYGZKZZFEJQR-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45354;MM45354;CNC(C=O)C(C)C=CF;DBDSXVVEWANZHU-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45355;MM45355;CC(C)=C(CN)OC=NO;JYTPDKWXZPEHRA-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45356;MM45356;C=NNC(=NO)N(C)C;FPKCEOZMCKRFGM-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45357;MM45357;C=NNC(=N)C(O)C=CC;NDGCKARYBUHRJE-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45358;MM45358;CC(C)=COC(=O)C(=N)N;CSAWGKUSPMAQMN-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45359;MM45359;C=CC=COC(=O)C(=N)N;JOZXSWADGUFAAK-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45360;MM45360;CCNCC(F)(C#N)C=O;YJJANXKKGRBSSD-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45361;MM45361;C=NN(C=N)C(C)C;DMBQBMYZPMIHBE-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45362;MM45362;CON=CC(N)=CC#N;WVKBSRASMOQYQT-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45363;MM45363;CN=C(NN(C)C)OC=O;RLMPGOYXHQAREI-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45364;MM45364;CC(N)=C(C#N)CN(C)C;KBWSTVRNTXDPMY-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45365;MM45365;C#CC(N)(C=C)C(=O)OC;GOMAIFYQNOICJZ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45366;MM45366;CNN=CN(O)C(=N)CO;PKLPRBZYFVJFDG-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45367;MM45367;CC(O)C=CCOC=O;BLYBWJUTGKVDFY-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45368;MM45368;CC(CF)C(C)NCC#N;BMQGQIVFJONCPX-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45369;MM45369;C#CC(O)C#CC(N)CC;JRQQACFFFMETQW-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45370;MM45370;CC(O)C=COCC=O;HJKGXSSQWYIJKP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45371;MM45371;CC(O)C=COCC#N;PQUOXUQDTYVGLE-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45372;MM45372;C#CCN(C=N)C=NOC;OVXSCPGUOOZBAK-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45373;MM45373;N=C(N)C(=O)CO;MGVXQMPYEXBEHQ-UHFFFAOYSA-N;102.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45374;MM45374;C=CCNC=NOCOC;MHNDONKHAMJRHS-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45375;MM45375;C=C(C)N(O)C=NNC;OOLPVTLRLHBYAA-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45376;MM45376;C#CC(O)C(F)C(C)N;LUHXBHZVHQFNGX-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45377;MM45377;CNCC#CC(C)(O)CF;ZXUDASOLRRKYJN-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45378;MM45378;C=C(F)C(=N)NOC;MQENIJXUOMYMQZ-UHFFFAOYSA-N;118.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45379;MM45379;C=NN=CN(N)CCF;KMGAOKLYQGELQF-UHFFFAOYSA-N;132.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45380;MM45380;C=CN(O)C(C=NN)=NC;RAACQTGUQKALKN-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45381;MM45381;CNCC(C)(O)C(F)C#N;YTNXVZFBYXNHDW-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45382;MM45382;N#CCNCCC=CF;PNUVBNDVMSFPHM-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45383;MM45383;CON=CNC=CCF;IEGYWRDRLUSSQZ-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45384;MM45384;C#CC=CNC(=N)ON=C;HDFMGHQUGMACOM-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45385;MM45385;C#CC=NOC(=N)N(C)N;OQKLJXUFLCDWEJ-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45386;MM45386;C#CCCC=CC(C)F;UXOVUHUTHNGVLT-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45387;MM45387;CCNN=CN(O)CC;ZGNUSXPTEXIVEZ-UHFFFAOYSA-N;131.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45388;MM45388;C=C(C)C(O)C#CCNC;CCUDRKMLMWDJSZ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45389;MM45389;CCCNN=CN(O)CC;UPHRAJFOFXMFIE-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45390;MM45390;CN(C=N)N=C(C#N)C#N;VDVMFFFVMZYGKN-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45391;MM45391;CN=C(C=NNC)N(C)O;RANOGWQPJHHDLK-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45392;MM45392;CCNC(=N)C(F)C#N;IJIDKCRQUKTEAJ-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45393;MM45393;CN=CN=CN(C)O;YKAPXHGFAOULGE-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45394;MM45394;C#CC(F)=C(C)N=CNO;BKRVVUYKPZVBMT-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45395;MM45395;C=NN=CN(N)CCOC;XTNDUQRGRVQNKB-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45396;MM45396;CC=NN=CN(N)CCO;HHYZNGDVASZGOI-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45397;MM45397;CON=CON=C(C)NN;YNLCZYSMRVTXSG-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45398;MM45398;CC(O)CC(C)NCC#N;BIFMJSMXFCSMHT-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45399;MM45399;C#CC(F)(C#CCN)CO;AWWXUUUIWSEACY-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45400;MM45400;C=CC(=N)N(CCF)N=C;CIUZIYLYNPVFFL-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45401;MM45401;CC(=O)C=COCCF;JEWMZEDLHBKUAC-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45402;MM45402;C=CCCNC(=N)C=O;HGEQULZMMGSVBJ-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45403;MM45403;CC(C)=NOC(=N)N(C)N;RZLFKXHWFGLOEN-UHFFFAOYSA-N;144.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45404;MM45404;C#CCC(O)C#CC(C)N;NHRFBUXZTIOPSY-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45405;MM45405;O=C(O)C=COCCO;WMFVLCAAJKRVAQ-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45406;MM45406;COCOC=CC(C)=O;KVHNGGYBXHZGCN-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45407;MM45407;CN=C(N)C(=O)C=C(C)C;KPILPQKZBQYAEJ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45408;MM45408;CC(N)C#CC(O)C(C)C;BDMKILSLKHGAFF-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16500;MM16500;COCOC=CC(=O)O;JJPNBFDXNMSHOH-UHFFFAOYSA-N;132.12;0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45409;MM45409;C#CC(O)CNCC=CC;YAHGHNNTWRIPLE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45410;MM45410;CN=CNN=COC=NN;KURGRWGKCSVXOE-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45411;MM45411;C=CC=NOC(=N)N(C)N;SFQQGTMXRSJYNP-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45412;MM45412;C=COC=NNC=NC;ZKBQUEDWBJYRKZ-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45413;MM45413;C#CCON(C)C=NNC;AKPAQBQPMGYRBQ-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45414;MM45414;C=CN(N)C(=NN)OCC;PAYVJXIIBCUZAV-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45415;MM45415;C=NN=C(C=NN)C=NN;LJVCDBNBICTQRY-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45416;MM45416;COC=NN=C(C)N(C)N;SBOHGLZAJZBCMP-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45417;MM45417;C=CC(C)CN(C=N)N=C;FBPCYAVICZZMLI-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45418;MM45418;C#CC(C=NN)=NN(C)C;QHMGMKJHLNLRPY-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45419;MM45419;CON=CC(C)=NN;KMYJQVWMKHIWIZ-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45420;MM45420;N#CC(=N)N(C=N)CCF;MAGLAKBFJSFRIU-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45421;MM45421;CN(N)C(=NN)OC=NO;ICRBGIBOPSJBCQ-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45422;MM45422;CC(=O)C=CCOC=O;GFOLTJIHFCCSFA-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45423;MM45423;COCCC(=NOC)NN;YKRSXIZEBUSVSM-UHFFFAOYSA-N;147.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45424;MM45424;C=CCNC=CC(C)=O;BCMOGBNQHSNUSS-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45425;MM45425;CC(=O)C=CNCC#N;FDPJNSXZERCAKM-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45426;MM45426;CCC(O)C#CC(C)N;KFHANTSSCUUZIL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45427;MM45427;CC(=O)C=COCC=O;IGZBUKBKQJQEMY-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45428;MM45428;CC(=O)C=COCC#N;SHPQQCLPMXEQOJ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45429;MM45429;C=NOC(=N)N(C)N;BUDPWYDNYFCTGB-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45430;MM45430;C=NN=C(C)N(C)N;YZJYYJQYOVUWQP-UHFFFAOYSA-N;114.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45431;MM45431;N#CCOC=CC(N)=O;GYTVOOZVTIQDFR-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16444;MM16444;O=CCOC=CC(=O)O;LCVYBROTCMGPSO-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45432;MM45432;C#CC(CN)=C(F)C(C)O;BPNKRIMSNQBSKJ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45433;MM45433;C#CCNC=NC(C)=NO;WXAVTBADPVDXBO-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45434;MM45434;COC(N)=C(C)C=NO;GRZVXQXXNWLUDW-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45435;MM45435;CNC(=NNC=O)N(C)C;PKVGECMFYLPLDT-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45436;MM45436;CNCC#CC(C)(C)O;XSEJHXBHNUDZRG-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45437;MM45437;C=C(C)N=C(CO)NN;UELZAOJUCTWGKW-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45438;MM45438;CN=C(C)NC(CO)=NC;WGEXTLXGMOFFRT-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45439;MM45439;C=C(C)CCNCC#N;BOCRTVFXUCEMNG-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45440;MM45440;N#CCON=CC(=O)O;IDTJDQJQPBEHPC-UHFFFAOYSA-N;128.09;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45441;MM45441;CC=NOC(=N)N(C)N;FKVFKWXDMCPTDY-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45442;MM45442;NC(C#CCO)CC=CF;YTNOGDRIBCGZHN-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45443;MM45443;CCC=NOC(=N)N(C)N;LCGRWIJXEGCBJF-UHFFFAOYSA-N;144.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45444;MM45444;CC(F)=C(C)NC(=N)CO;ZOUDXZIKOKXBAB-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45445;MM45445;NN=C(NO)NC=O;ZAHPJRHXHADZIO-UHFFFAOYSA-N;118.1;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-prop-2-ynoxyiminoacetic Acid";MM03426;C#CCON=CC(=O)O;AUFQBXOPEYLIJS-UHFFFAOYSA-N;127.1;-0.29;85578124;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45446;MM45446;CC(O)C=CCC=NO;ZNAYMNDVGVBBRS-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45447;MM45447;COCCC(C=NO)=CN;FRADXNFJSOYWEB-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45448;MM45448;C#CC=NN=C(C)N(C)N;WNZVGSDUPPGLIC-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45449;MM45449;C#CC=CN(N)C=NO;QIUXSTYVWQSYNY-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45450;MM45450;CC#CC=CN(N)C=NO;RXQVKYMIKUDBJX-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45451;MM45451;CCC(=NO)C(C)=CN;OCOJXGIPDJDXNQ-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45452;MM45452;CNC(CCOC)=NO;MOYPYBDHJRFGJT-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45453;MM45453;CCOCCC(=NO)NC;NATNIQVKVGDQJF-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45454;MM45454;C=C(OC)C(=NO)NC;DIIBLMBVTQVXAA-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45455;MM45455;C=CC(CO)(NC)C(=C)C;OUGXHHSQPMVTNT-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45456;MM45456;CNC(C#N)CC=C(C)F;PHXITHIUCCFBIT-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45457;MM45457;CN(O)C(=NN)NC=N;AITUUMKBCCFYLV-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45458;MM45458;CCCOC(=N)N(O)C=N;DKVVIGXRDNKHPF-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45459;MM45459;N#CC(=CC=O)N(O)C=N;NEPICTRMAQCIEU-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45460;MM45460;C=CN(O)C(=NOC)NN;IFCPYUIBYWNCSZ-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45461;MM45461;CN(O)C(=N)OC=NN;PEPSSWAFONOQNH-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45462;MM45462;CC(C)=CNC(=NN)NO;NBLZUYOPKHYAOK-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45463;MM45463;CNN=COC(=N)N(C)O;COUHZRKMDMAGJF-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45464;MM45464;CCON=C(NN)NO;ZNXVFBWWXNJBIO-UHFFFAOYSA-N;134.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45465;MM45465;CC(O)C(C)(C)NCC#N;TUSQJVJEYJDDHP-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45466;MM45466;CCC(=NC=CCO)NO;OQJBVGLGZLNZLT-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45467;MM45467;CN(O)C=NOC=NO;NIGQCXJKVDDXEZ-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45468;MM45468;C=CN(N)C=NC=NN=C;OSXQVRBJCZYPAZ-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45469;MM45469;CCC(C)(O)CNCC#N;YOQLWVXIWPCFPK-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45470;MM45470;CN(C)N=COC=NO;ICASVKCWMQOEND-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45471;MM45471;CNC(C#N)CC=COC;OSDZYCCCCNDKSF-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45472;MM45472;CNN=C(COC)NO;DHHIECZUFJOQPJ-UHFFFAOYSA-N;133.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45473;MM45473;CN=C(CCN)N(C)O;ICXDTRGZSMRMNI-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45474;MM45474;CC=NNC=CC(=O)O;COVKVQBEMSMSQB-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45475;MM45475;CC(=O)C=COC=NO;CCSFBOLZBLHGAE-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45476;MM45476;C=CC(=NC=NN)N(C)O;WKFOUPWKNCXMND-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45477;MM45477;C=CC(=NC)N(C)O;IWHWVDSPYCWBFF-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16299;MM16299;NN=COC=CC(=O)O;JXIJNHVXQVONSL-UHFFFAOYSA-N;130.1;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16418;MM16418;O=C(O)C=COC=NO;OGGZRNJIYGGOQI-UHFFFAOYSA-N;131.09;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45478;MM45478;CC(C=O)C(=N)NO;UBSXQARUNCZYOA-UHFFFAOYSA-N;116.12;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45479;MM45479;CC(C)(C=O)C(=N)NO;UVBDLEGKBUKLAS-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45480;MM45480;CC(=O)C=NOC=NO;FIDUSDBYYRRARX-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45481;MM45481;CC=CN=CNC(C)=O;XOROSAFNFSPFDC-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45482;MM45482;CNC(C#N)CC=CC#N;MXFVODSZUUUCQL-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45483;MM45483;CC(C)N(C)CC#N;OKVCJTAEKCLWKS-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45484;MM45484;CCN(CC)CC#N;LVPZSMIBSMMLPI-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45485;MM45485;C=CCC(C#N)NC;KTIBQXDBDNUXNS-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45486;MM45486;COC=NN=CC(C)O;RZBCVZLHJDLVRK-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45487;MM45487;C#CCN(N)C=NN(C)C;XLDMUVDCVUJQOP-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45488;MM45488;CC(O)CN=CN(C)N;ZSGIAVOQJWNXPO-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45489;MM45489;CCNC(C#N)CCO;KXPPXQCSBYEABS-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45490;MM45490;NCC#CC=C(CO)CF;COIBMGXHYGEKNC-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45491;MM45491;C#CC(=N)N(C=N)C=NC;PQMLDXMUFDJTCC-UHFFFAOYSA-N;136.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45492;MM45492;C#CC(C#C)N(C=N)C=N;WYUVUWSNSOMFJI-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45493;MM45493;CC(CCO)N(C)CC#N;LLNMKQICTMGRHL-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45494;MM45494;CNCC(F)=C(C#N)C#N;KGMLWKRPQHPMRC-UHFFFAOYSA-N;139.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45495;MM45495;CC(C)NCC#N;KCMLHEAFFIUPAW-UHFFFAOYSA-N;98.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45496;MM45496;C=CC(CN(C)C)C(C)=O;PVCWQHJNRBNRQI-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45497;MM45497;CON(C)C=NNCC#N;UDKCHSLPIFXSLG-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45498;MM45498;CNN=CN(C=NN)NC;LYANAAXPDAWQKL-UHFFFAOYSA-N;144.18;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45499;MM45499;CNC(CC(C)O)C(C)F;CPWSCKXRSMKIIM-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45500;MM45500;CN=CN=C(NN)OC;FSAFFUTUUHNXPX-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45501;MM45501;CC(C#CCN)=CCO;WBTQOJNUCSMVGN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45502;MM45502;C=C(C)CC(C#N)NC;JZLIIWXICYRBLU-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45503;MM45503;C=NN=C(C=O)CN(C)C;FNZBFBIHALHTTR-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45504;MM45504;CCN=CN=C(NN)OC;WGOWLKVQZBHZHA-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45505;MM45505;CNC(C#N)CC(C)=CF;HBYCPHTWKVWNMT-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45506;MM45506;C#CCC(=O)C(=C)NC=N;KGVSEJOSQMXPSJ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45507;MM45507;CC(O)C=NN=CC=O;LPIKDBLDISIXDR-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45508;MM45508;CON(CCF)C(C)=NN;RQWLKOJQJZMAKL-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45509;MM45509;CNC=NOC=NNC;CFDXKQJQNJSRDT-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45510;MM45510;C=CC(=NN(C)C=N)OC;QPPREQKYTXKZPV-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45511;MM45511;C#CC(=NOC)N(N)CC;QQXJANVTBPWYRQ-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45512;MM45512;C#CC(=NC=N)N(N)C=C;BQRDZFVXEBLEMK-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45513;MM45513;C=NN=C(C=O)C(N)=NC;PUTRJXYVXFFKLW-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45514;MM45514;C=COC=NNC(=N)N;NORWOWPYZQQVKR-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45515;MM45515;NN=CC(COC=O)=NN;XHPHVHPMWRNEBX-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45516;MM45516;CON=C(C=CCF)NN;IWKMFDKZUJTBNJ-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45517;MM45517;C=CC(=CC#CCN)CO;ACBGKUQLNGJRQR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45518;MM45518;CCNC(C)C#N;NDVZMKCMHIWQGQ-UHFFFAOYSA-N;98.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45519;MM45519;CCN(C)C(C)C#N;HDJSWGVKQDQCGM-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45520;MM45520;N#CC(C#N)(C=O)NC=N;SIUBHLHUUBXFTM-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45521;MM45521;C=C(C#CCN)CCCO;ZLKCQZMGUOMJRJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45522;MM45522;CN(O)C=NN=CC#N;QJLFAMCKKQEPRL-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45523;MM45523;COC(=NC=N)N(C)N;CBJYEWXJIRJMFY-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45524;MM45524;CC(=O)C=CC=CCO;TVTVSULSXGYUTI-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45525;MM45525;CON(C=N)C(=N)CF;JEAAAMDMOOHCNG-UHFFFAOYSA-N;133.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-methoxyiminobut-2-enoic Acid";MM03680;CON=CC=CC(=O)O;ZTERRTOOXOMPOW-UHFFFAOYSA-N;129.12;0.26;76225533;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45526;MM45526;CC(=O)C=NN=CCO;ODRMDLXNHRQZRQ-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45527;MM45527;COCC(C)CNCC#N;NNLVQXMKSHSRIB-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45528;MM45528;C#CC(C)(CC=O)N=CN;IJXTVTPFESPVFS-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45529;MM45529;CC1NC1C=O;KKAYBXYTAULTSV-UHFFFAOYSA-N;85.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45530;MM45530;C#CC(C#C)=NNC=NC;QHESASZCAKIBQG-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45531;MM45531;NC(=O)C=NN=CCO;KNOQXTWWNZLCFU-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45532;MM45532;NC(=O)C=NN=CCF;MGZPFEUXRMPDPT-UHFFFAOYSA-N;131.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45533;MM45533;C#CC(C#N)=NN(C)C=N;YZYALEFFGZOFFL-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45534;MM45534;COC=NN=CC(N)=O;YTFTVABMQBVDHP-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16523;MM16523;C=NN=CC=CC(=O)O;MVOZUUGHHPVIMS-UHFFFAOYSA-N;126.12;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45535;MM45535;CC(C#N)(C#N)NC(=N)N;KZBHIOTVLOFIRF-UHFFFAOYSA-N;137.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45536;MM45536;CON=CON=CC=CN;UIGPFSLACPVERQ-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45537;MM45537;CNC(=N)C(C#N)NC=N;GBAJTBPTCVUEAO-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45538;MM45538;C=CC=NN=CC(N)=O;ZTEBYCNQXMPZIF-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45539;MM45539;NC(=O)C=NN=CC=O;JPYUXJMWWUBJOY-UHFFFAOYSA-N;127.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45540;MM45540;N#CC=NN=CC(N)=O;FTFAELSKGZCUSO-UHFFFAOYSA-N;124.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45541;MM45541;CC(C)N(N)C=NC=O;NRMPQGZFISNPHO-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45542;MM45542;C#CC=NN=CC(N)=O;ROTSTSKLZADXSE-UHFFFAOYSA-N;123.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45543;MM45543;C=NOC=NN(C)C=N;LGQDHVWCWIMHOG-UHFFFAOYSA-N;128.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45544;MM45544;CC(O)C=CC#CCO;SIGIVSUYRNGKLS-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45545;MM45545;CC(O)C=CC#CC=O;MTZQBXLTQAZOCE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-hydroxyhex-2-en-4-ynoic Acid";MM03529;O=C(O)C=CC#CCO;QTLRAMMOHPPIBJ-UHFFFAOYSA-N;126.11;-0.38;56631974;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45546;MM45546;CCN(N)C(C)=NC=O;HOLQTSBTUGIKIM-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45547;MM45547;C=CC(C=O)C(F)CNC;DLFJTORHBYZDIE-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45548;MM45548;C=CCCN(C=N)N=C;MJNNLFOPNBOCNM-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45549;MM45549;C=C(C#CCN)C(C)CO;MAIPUMPDMRTVBJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45550;MM45550;C#CC(C=NOC)=CN;VJVMLHCFXXZYSS-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45551;MM45551;C#CCCCNCC#N;ZJRASEMTCMNIBH-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45552;MM45552;C#CC(C)(C=O)NCCF;OERBNNPBVSEHNP-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45553;MM45553;COCCC#CC(C)O;MYIWPRMCMYOVCN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45554;MM45554;N#CCCCNC(=N)C=O;PBJLUJJFYUQOHY-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45555;MM45555;CCN(N)C(=NOC)OC;OXWYYCHJNAEPKW-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45556;MM45556;CCOCC#CC(C)O;MFYGQZMMLHAVSU-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45557;MM45557;C=CCCC#CC(C)F;MMACJEAIRKHBTM-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45558;MM45558;CON=CN(C=N)C(C)=N;SVZQFVSLSIQESG-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45559;MM45559;C=CN(C=N)C(=N)ON=C;YFLRQOLNVCAKFF-UHFFFAOYSA-N;140.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45560;MM45560;CC(F)C#CCNC=O;JFVQOZZVENZCNT-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45561;MM45561;C=C(C#CCN)CC(C)O;KVGBAEKWQLYZNK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45562;MM45562;C#CC(NC)C(C=C)C=O;RPFKAXRNXKLPME-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45563;MM45563;C=C(C)C(C=O)CN(C)C;ODKLQUPOXPESEB-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45564;MM45564;CNC(C)(C)C#N;NKQVYJRZBVRXRU-UHFFFAOYSA-N;98.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45565;MM45565;C=CC(=O)C(N)=NC;GFCIYDXWZPYHML-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45566;MM45566;C=COCC#CC(C)O;RDODHRJQEOKXBV-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45567;MM45567;CC(O)C#CCOC=O;VVWSQXFSNKYGPJ-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45568;MM45568;CC(C)(C)C(=O)C(=N)N;PELWKMQUQIIHJX-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45569;MM45569;CC(=N)NC(C#N)=CC=O;HTYRLIVRYIXXOC-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45570;MM45570;CCN=C(NOC)OC;VTMCEWJGWSGMPS-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45571;MM45571;NC(=O)C#CCCCF;NSSLCIPJOHXJTJ-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-hydroxyhex-2-ynoic Acid";MM03356;O=C(O)C#CCCCO;FMIGBDLVHMCZSR-UHFFFAOYSA-N;128.13;-0.15;5312826;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45572;MM45572;C=COC(C)=NN(C)C=N;ICCUVLOASZSYOW-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45573;MM45573;COCCC#CC(N)=O;OSYSHLATKULOTP-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45574;MM45574;C#CCN(OC=O)C(C)=N;YZDUGJXESGCJMO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45575;MM45575;CN=C(NC)C(C)=O;IDYOSLAEEZHLHP-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45576;MM45576;CCOCC#CC(N)=O;UGTAGGPGLWGILV-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45577;MM45577;C#CCCCNC(=N)C=O;VWQPVLQEEOGZBZ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45578;MM45578;N#CCCC#CC(N)=O;DJWTYMWXOHXFHP-UHFFFAOYSA-N;122.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-oxohex-2-ynoic Acid";MM03305;O=CCCC#CC(=O)O;ZEGZVUYYBIARSS-UHFFFAOYSA-N;126.11;0.05;55301999;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45579;MM45579;C=CNC(=NC)ON=CC;VAABYQKAKCMTHK-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45580;MM45580;C=C(C)C#CCNC=O;YVOQGJKFOMMEOI-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45581;MM45581;CC(=O)C#CCOC=O;ZHQLMTKYYXDEBH-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45582;MM45582;CN(C)N(C=N)C(=N)C=O;FBKYEZDBZCOTPJ-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45583;MM45583;C=COCC#CC(N)=O;ZPPAUMXUGJYEAD-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45584;MM45584;C#CC(=N)NC(=N)OC=O;DCQDHVUTQLAFFI-UHFFFAOYSA-N;139.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45585;MM45585;CC(O)C#CCC=NO;VVCJKKMCADTHFF-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45586;MM45586;NC(=O)C#CCC=CF;JUCLOSPBMJIAJJ-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45587;MM45587;CC(=O)C#CCC=NO;FWRISALKOOCXAB-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45588;MM45588;NN=CCC#CC(=O)O;HQZGBUJYZQFAEE-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45589;MM45589;O=C(O)C#CCC=NO;LSNJCDDAVUCWJC-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45590;MM45590;C=CN(C=N)N=CON=C;VFDLWTJXHZGFCU-UHFFFAOYSA-N;140.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45591;MM45591;C=CCCNC=NNC;MCOUYWYBVFEMKQ-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45592;MM45592;CCNN=CNCCCF;IMYBRGZODKKUAR-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45593;MM45593;C=CC1CN1C;KVJMBWQMROYTNP-UHFFFAOYSA-N;83.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45594;MM45594;CCONC(=N)OC=O;QXKJKGMSVDIFTQ-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45595;MM45595;C=NN=C(C=NO)N(C)N;YMCGKTPBJIROGL-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45596;MM45596;CC(O)C#CC=CC#N;KRISVDIEHPJUMX-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45597;MM45597;CCCNCC#N;YOEHYACECVSKEQ-UHFFFAOYSA-N;98.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45598;MM45598;C=CNC(=NN)C(=C)OC;VYSUWVBLOKIQPI-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45599;MM45599;NC(=O)C#CC=CCF;OONTWKWVKFEVSV-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-hydroxyhex-4-en-2-ynoic Acid";MM03299;O=C(O)C#CC=CCO;TWAAHEZQLRYJKW-UHFFFAOYSA-N;126.11;-0.38;76225836;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45600;MM45600;COC=CC#CC(N)=O;JLXDGILABMUMND-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45601;MM45601;COC(N)=CC(C)=NO;PHCUFCDLHKQWGX-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45602;MM45602;CNC(C)(C)C(=O)C#N;WYZQHVBYTBDUML-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16216;MM16216;CON=CC#CC(=O)O;AJDLUSSAXHXPIJ-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45603;MM45603;CCN(C)N=CNOC;RBEIOQSWAQSHTN-UHFFFAOYSA-N;131.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45604;MM45604;C=CC=CC#CC(N)=O;MFIYXCBKBCULRO-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45605;MM45605;NC(=O)C#CC=CC=O;QUVWLIIUDJNTOL-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45606;MM45606;C=CNC(=NC)ON=C;DZXSGLBHGUUQPC-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45607;MM45607;C=NN=CC#CC(N)=O;CMAZIQQUBVGIDA-UHFFFAOYSA-N;123.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16207;MM16207;C=NN=CC#CC(=O)O;DZQOJPIJMZBHNY-UHFFFAOYSA-N;124.1;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45608;MM45608;C#CCCC(C#N)NC;YSTAIBDZKFZOQF-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45609;MM45609;C#CC=CC#CC(N)=O;YMXUGAOVXAXOOB-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45610;MM45610;C=NN(C=N)CCCF;YGXZWQTYYOCPRC-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45611;MM45611;COCCNC(=N)C=NN;UCXLEOBVXDJLEE-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45612;MM45612;CC(O)C#CC#CCO;TVLXFGTXENFOSY-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45613;MM45613;C#CCNC(CF)=NC;UHPITSJRPYWCRS-UHFFFAOYSA-N;128.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45614;MM45614;CC(C)C#CC#CC#N;VRJLLKWYDZUSKE-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45615;MM45615;CC(O)C#CC#CC=O;MTUYZXOJOQOIGB-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45616;MM45616;N#CCNCCCCF;JYULAMLYFOXKBR-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45617;MM45617;CC(=O)C#CC#CCO;ATINTPMPTVGEQE-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45618;MM45618;CCOC(C)=NN(C)C=N;PAXCQHKYYSGNBH-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45619;MM45619;CON=CC(F)C(C)N;VUBXAMNJBJMTRU-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45620;MM45620;NC(=O)C#CC#CCO;ZVYFAKMTTPGVPR-UHFFFAOYSA-N;123.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45621;MM45621;NC(=O)C#CC#CCF;NVXGATLNHBOXRJ-UHFFFAOYSA-N;125.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"6-hydroxyhexa-2,4-diynoic Acid";MM03171;O=C(O)C#CC#CCO;ZVPXESNVHJJOJD-UHFFFAOYSA-N;124.1;-0.93;55299931;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45622;MM45622;C=CC(=NOC)N(N)C=C;TWWNCVQDJGTIAC-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45623;MM45623;CC(=O)C#CC#CC#N;NCTDBUYEUZUDRU-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45624;MM45624;C=C(C)N(C=N)N=CC=O;CHOSGBYGTZIVTB-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45625;MM45625;C=CC#CC1CN1;DKWPOHSUPDTSGQ-UHFFFAOYSA-N;93.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45626;MM45626;NC(=O)C#CC#CC=O;VDONCRDBQKXFCL-UHFFFAOYSA-N;121.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45627;MM45627;N#CC#CC#CC(N)=O;HFPHDOUKXDHYNR-UHFFFAOYSA-N;118.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16096;MM16096;N#CC#CC#CC(=O)O;JPKZFXWCKJOSRB-UHFFFAOYSA-N;119.08;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45628;MM45628;C#CCNCC(F)F;PBYJGCLFFDGNRI-UHFFFAOYSA-N;119.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45629;MM45629;C=NNC(=N)CC(N)CC;BHTBJKMNCRXZRL-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45630;MM45630;CCCCNCC#N;SPMMZKAWNAKPJM-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45631;MM45631;CC=NOC(=O)CNC;DZMSKHDBNWDRSB-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45632;MM45632;CN(C=N)N=COC=O;VLOMASOZOCIMAV-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45633;MM45633;NC=C(C=NO)CCF;RWYZOEQEIVTCBL-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45634;MM45634;C#CCC(=NOC)NC;IFBXOLXWTVENFY-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45635;MM45635;C#CC(C)NC(=N)OC=O;WXIDPICZXXNDBU-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45636;MM45636;C#CC=NOC(=O)CNC;HSLSCWNWAOQSGT-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45637;MM45637;CC(C)=NNCC=NO;JBPYQYRWFZOGSO-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45638;MM45638;NC(=CC=NO)CCO;ZAWLHQBRADJNNG-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45639;MM45639;CCN(C=N)N=C(C)CF;LAFIPROKQKIDAE-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45640;MM45640;C#CC(C#C)=NN(C)C=N;FVERZQVLURSRRL-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45641;MM45641;CC(F)=CN=CNC=O;MHAUNFDQWYLXCT-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45642;MM45642;C=CC#CC(N)C(=O)OC;RQFPAOVUEXTMEY-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45643;MM45643;C#CC(C)=CN(N)C=NO;CRZLGRQJHLGIAY-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45644;MM45644;CC(C)=NN=CNC=O;VSZMEDLJMLQLOG-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45645;MM45645;CON=CC(N)=C(C)C#N;BWAFLINSNSJROB-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45646;MM45646;N#CCNCCCCCF;GBGLHFGIAHVDCJ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45647;MM45647;CCC(C#N)NC;WRGZNMYHMLXWRH-UHFFFAOYSA-N;98.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45648;MM45648;C#CC(CNCC)NN=C;YGWSMTIAJHXFHW-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45649;MM45649;COC(=NO)ONC(C)=N;GFJFUQQUVLZJDU-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45650;MM45650;CNC(=O)NC(=N)C=CN;KGMZTCWQORFCHU-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45651;MM45651;C=COC=NN(C)C=N;JTZBVVIEGDZVMT-UHFFFAOYSA-N;127.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45652;MM45652;CNC(=NO)C(C)COC;AOEXVOLYMCOKKS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45653;MM45653;CNCC(C#N)=NOC;CQNQHCBNZCUGEE-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45654;MM45654;C=NN(C=N)C(C)=CC;WJCGQRFEURLIHE-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45655;MM45655;OCCC(O)CCCF;ZEGQVBYKVRQIAQ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45656;MM45656;CNC(C#N)CCCF;MLZKBUUSQLKQDX-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45657;MM45657;C=CC=CN(C=N)N=C;WUPRGJOGDCBFBA-UHFFFAOYSA-N;123.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45658;MM45658;C=CN(OC=NO)C(C)=N;LOMIDWTZNRPRON-UHFFFAOYSA-N;143.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45659;MM45659;OCCCC(F)CCO;FWYUTHSHWCFICA-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45660;MM45660;C#CC(=N)NOC(=O)C#N;QSPXXKLCIPSKFY-UHFFFAOYSA-N;137.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45661;MM45661;C=CC(C=C)C(C#N)NC;NAJYJHJFVDFOGS-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45662;MM45662;COC=NN(C)C=N;CLFHUUWWOARVIT-UHFFFAOYSA-N;115.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45663;MM45663;CC(=N)N(C)OC=NO;BSSNXDPHYPZXLG-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45664;MM45664;CCCC(C#N)NC;GRIQUVSERHHWAY-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45665;MM45665;CCOC=NN(C)C=N;XNPCLJCQJAEMNF-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45666;MM45666;CC(C)OC=NN(C)C=N;GMKITMSJFYCSRZ-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45667;MM45667;CCON=CC(N)=CC#N;PEBCNGKBHJMFEK-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45668;MM45668;N=CN(C=N)C(=O)C(=N)N;OKDXBKKXPDBPJB-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45669;MM45669;C=NOCOC(=O)C(=N)N;YFPJNYYYGOLRLR-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45670;MM45670;COCC(O)CCCF;SCMBSMNXZAUAJF-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45671;MM45671;CCN(C)CC(C#N)NC;QQDXIGCCOTWIJO-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45672;MM45672;CCCOC=NN(C)C=N;DDIZPBLTBFVNHZ-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45673;MM45673;CN(C=N)N=COCC#N;GOODMRMFICSXRE-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45674;MM45674;C#CCOC=NN(C)C=N;YHJVOJNVZKKHJW-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45675;MM45675;CNN(C=CF)C=NOC;BPHJBWCBCUOROU-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45676;MM45676;CNC(C=NOC)=CC#N;BNPOPLMIFGEWMJ-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45677;MM45677;C#CCN=C(OC)N(C)N;CTUAZYFVMGIDGN-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45678;MM45678;C#CC(N)CC#CC=NO;HSEVKQZATBVDCO-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45679;MM45679;C#CC(=NC)N(C=N)OC;GQOIDSYHDZELQW-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45680;MM45680;C=COC=NN(C=C)C=N;JHCGFGPVCBAONF-UHFFFAOYSA-N;139.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45681;MM45681;CC#CCNN(C)C=NO;CXTJEZKNYGDYEH-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45682;MM45682;CC(C)C(=O)C(=N)N;UTCUXRNDYSJFKI-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45683;MM45683;C=NN=C(NN)NOC=O;GYLLEJXTORVJSX-UHFFFAOYSA-N;145.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45684;MM45684;CC#CC(=N)NOC=O;JZRIJYFHSQUWQY-UHFFFAOYSA-N;126.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45685;MM45685;COCC(C)OCCO;FGINLTHWQMNXLO-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45686;MM45686;CON=CN(C)CCF;FRMBVKUZGQXGDP-UHFFFAOYSA-N;134.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45687;MM45687;CCCNCC(CC)=NO;HOOXLUGWBBEFII-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45688;MM45688;CCC(C)C(=O)C(=N)N;NTNMMACNNSYTJO-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45689;MM45689;COCOC(=O)C(=N)N;LZZGVINJGHWUNG-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45690;MM45690;C=CCC(N)C#CC=NO;ZJTZGOGSTRHMTJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45691;MM45691;O=CCCC(O)CCF;QVLGAKWVQRWWGN-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45692;MM45692;N#CCCC(O)CCF;KQCSHBYTFLHIBP-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45693;MM45693;C=CC(CC=NO)N(C)C;AEABYCWJLLYSDC-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45694;MM45694;N=CN(C=N)C=NC=O;QYAJHMDLVJOMBM-UHFFFAOYSA-N;126.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45695;MM45695;COCC(F)CCC=O;AACZEMKVRDYLBX-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45696;MM45696;CC(O)C(C#N)N(O)C=N;XJQGTQYMLIERAX-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45697;MM45697;C=COCOC(=O)C(=N)N;BLYMXMUIDQOGRT-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45698;MM45698;C#CC(C)(C#C)N=CNN;MEEPKZVRYXKOTA-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45699;MM45699;CNC(C#N)CC(C)CF;AHMWHNILJLNKAI-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45700;MM45700;COC(=O)C(N)C#CCF;WBTJUEOBHKXDDF-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45701;MM45701;C#CC(O)(C#CC)CNC;RFHRYBQRDPFFNZ-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45702;MM45702;C=NN=C(CF)N(N)C=N;ONDWLLFFMFJJHN-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45703;MM45703;CCON(C=N)C=NC=N;MEKVOKNAMDCVGN-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45704;MM45704;CCC(=NC=O)N(O)C=N;ZMXVRRCRSRIZSQ-UHFFFAOYSA-N;143.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45705;MM45705;C#CC#CC(C=NN)=CN;HBUVWQCTIXXZJA-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45706;MM45706;C#CC(=NOCC)NNC;AWKVRJHXKIUKKS-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45707;MM45707;C=COCC(O)CCO;NSZSCOFRHGYXCU-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45708;MM45708;C#CC(O)(C#CC)CN;FTPBUQAVGAHVJB-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45709;MM45709;C=C(C)C(NC)C(=O)OC;OYHCHZBJLXYGSW-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45710;MM45710;C#CCCCN(C=N)N=C;HIEWSGYDSHWMKQ-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45711;MM45711;CC(C)NC(C)C#N;QACKMXGIVCKHSR-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45712;MM45712;C=COCC(O)COC;ZJRLWJZEKSAOQT-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45713;MM45713;C=CC=NN(C=N)CC;NNJNOEWJXHSGIV-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45714;MM45714;C=COC(C=NN)=C(N)N;VIILCKFPKIKHOE-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45715;MM45715;C=NNC(=NN)NOC=O;GYLLEJXTORVJSX-UHFFFAOYSA-N;145.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45716;MM45716;C#CC(=N)N(C=N)CC#N;YXTMRZLPPBTPQI-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45717;MM45717;NC=CC(C#CCF)=NN;RZNRDQWTDGDJGD-UHFFFAOYSA-N;141.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45718;MM45718;C#CC(C=NOC)=C(C)N;KAAXUEOZQUMPNL-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45719;MM45719;C=C(C)N(O)C=NNCC;LCMLLJAWTIKPDQ-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45720;MM45720;C=NN(C=N)CCCCF;CPKASIIPYYGNRU-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45721;MM45721;CC(CCO)OCC#N;XGOJILVLAQOAPL-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45722;MM45722;C#CCN(N)C(=NC)OC;HOLBBLTVJBPAGQ-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45723;MM45723;COCC(C)OCC=O;KLTVWPSBTYRTCP-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45724;MM45724;COCC(C)OCC#N;QYHDHEJYNZURJH-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45725;MM45725;CC(=NC=O)N(C)C;JZDMKRNOKOBEJX-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45726;MM45726;CC(C)N=C(CF)NN;HWHRKFBAJNNOBP-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45727;MM45727;CCOC(C)OCC#N;ZYXHWINGLOGRMK-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45728;MM45728;CCN(C=N)N=C(C)C;IHEHBUJMRRZYDS-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45729;MM45729;CON(C=N)C=NC=N;VZXFXYCFHBSBIL-UHFFFAOYSA-N;128.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45730;MM45730;CCCON=C(NN)NO;AYSRGMIGCWTWLE-UHFFFAOYSA-N;148.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45731;MM45731;CON=C(NN)NO;QEHOTQZWRYUIPA-UHFFFAOYSA-N;120.11;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45732;MM45732;CNCC#CC#CCO;QZCABHUPTRIVJU-UHFFFAOYSA-N;123.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45733;MM45733;C#CCOC(C)CCO;PJQFWMDKQVWHCT-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45734;MM45734;C#CCOC(C)COC;SYSXVTCJEYSZDK-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45735;MM45735;CNC(C)(C#N)CN(C)C;DXDQNULPIFONAC-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45736;MM45736;CCC(C)NCC(=O)NN;FYDPYOIOKAQFSM-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45737;MM45737;O=CCC(O)CCCF;IPABDYMULRXZDN-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45738;MM45738;C#CC(=NC)NC(=N)OC;XDKKYAIPQIOLBL-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45739;MM45739;C=NOCON=C(C)NN;DNXYBEFTPLKNKC-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45740;MM45740;CCN(N)C(=NC=N)OC;PMXFIDITJDSKOV-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45741;MM45741;COCCC(O)CC#N;WOIGUYHWSPZOKD-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45742;MM45742;CN(C=N)C(C#N)=NC=O;KSIQANQSABVVKO-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45743;MM45743;CCN(O)C=NNC(C)C;PEZBTNASWZETHJ-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45744;MM45744;CCOCC(O)CC#N;XABXEUYXXMHEEF-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45745;MM45745;CCON=CNCCOC;KEKWWNDWSARVRQ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45746;MM45746;CCNC(C)(C)C#N;HOFRQIRBOREDMY-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45747;MM45747;C=NN(C=N)CCC;DHRKLWOMINTRIE-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45748;MM45748;C=NN(C)C(=O)C(=N)N;SOEFYBXLGSXPDN-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45749;MM45749;COCON=C(C)NN;VGDWWCWCHFRYTD-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45750;MM45750;C#CC(C)(N)C(=O)ON=C;ZINLGLVERAAYRT-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45751;MM45751;C#CC(C)CC(=O)C(=N)N;SAPLLGMIWCXVFI-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45752;MM45752;CC=NN(C)C(=O)C(=N)N;JLEAGPNWZNOOKR-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45753;MM45753;N#CCN(CC#N)C(=N)N;FSELTYRKZJUDDX-UHFFFAOYSA-N;137.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45754;MM45754;C#CCC(=NOC)N(C)C;WRJANOGPHKLFGR-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45755;MM45755;C=CC=NN(C=N)C(=C)C;GSGRYSHQKRTDGL-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45756;MM45756;CCC(C#N)N(C=N)OC;HYLRUXLRCLUOHK-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45757;MM45757;CCN=CN=CN(C)O;NVYDBXLYMHLPOW-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45758;MM45758;COCOC(C)CC#N;HHPAIJIQLGONTH-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45759;MM45759;C=NN=CN(N)C=NC;UGXXTWRJSUVHOK-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45760;MM45760;C=COC(C)OCCO;RBKRNABSZYFTFO-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45761;MM45761;CC(OC=O)OCCO;BHVCEHFNSKWTLA-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45762;MM45762;COCOC(C)OC=O;KUZAGOPDZWRNRR-UHFFFAOYSA-N;134.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45763;MM45763;C#CCC(O)C#CCNC;MEFTXOMCGUKSCP-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45764;MM45764;C=CC(C)CC(=O)C(=N)N;DJZJMFBMHBJRRC-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45765;MM45765;C=CC(=NCCO)NN=C;JLNZYSQUTOAXSX-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45766;MM45766;CON(C=N)C=NN(C)C;YCQGAGWREXWSCW-UHFFFAOYSA-N;144.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45767;MM45767;CNC(C#N)CC(C)(C)O;BZIHWHUEFFNKJI-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45768;MM45768;C=CCC(O)CCC=O;ASZBCIYHESTXJI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45769;MM45769;O=CCCC(O)CC=O;GATFIJYWERJMGU-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45770;MM45770;N#CCCC(O)CC=O;JMYLUDDPVKTCHX-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45771;MM45771;N#CCCC(O)CC#N;YRPMCFPDNRALSE-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45772;MM45772;N#CCCC(F)CC#N;PCXFHNCCPMDYKS-UHFFFAOYSA-N;126.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45773;MM45773;CNC(C#N)C(C)C=CF;WSBWTGBUQJCBPF-UHFFFAOYSA-N;142.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45774;MM45774;CC#CC1CN1;PCYLCCHAPZRCGO-UHFFFAOYSA-N;81.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45775;MM45775;CCC(C)NCC#N;OEHOCCGKJKWJAZ-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45776;MM45776;C=CCC(O)COC=O;MDELPJNBUJLXEY-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45777;MM45777;C=COCC(O)CC#N;DNKLYWKBFQLTMA-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45778;MM45778;N#CCC(F)COC=O;YRJMKFSSTDWHFY-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45779;MM45779;CC=NN(C=N)CC;HCHQIPBWMNGIGE-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45780;MM45780;CON=CC=NNCCO;ASEOWJWSGMRBOW-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45781;MM45781;N#CC(F)(CCO)C(=N)N;XFNULRVRLWRAMK-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45782;MM45782;CC(C)CC(=O)C(=N)N;UEMYPJSMXWHVFB-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45783;MM45783;CCC(C#N)(CC=O)NC;JJHBUJPSIWOJQM-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45784;MM45784;C=NOC(=O)CN(C)C;NGMYVKFLPYMNSD-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45785;MM45785;C#CCN(C)CCC#N;YFGBSGKXISXLSQ-UHFFFAOYSA-N;122.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45786;MM45786;C=CCCC(=O)C(=N)N;CEAGVNPDCIIPDE-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45787;MM45787;CCC=NN(C=N)CC;NEPSSOPBWFCADH-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45788;MM45788;CN(CC#N)CCCCO;KQDFWTUIKXFTCT-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45789;MM45789;CC(CC#N)NNC=O;COULBPAXOANTCZ-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45790;MM45790;CC(CC#N)OCC=O;METSQRFMJLMSLP-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45791;MM45791;C=COC(C)OCC=O;LXOXVHVMRZDOPG-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45792;MM45792;C=COC(C)OCC#N;OBBBDMJMJIBNAP-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45793;MM45793;CC(OC=O)OCC=O;GKXZBCTULUHAFG-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45794;MM45794;CC(OC=O)OCC#N;SQUJJUQRAZQRKP-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45795;MM45795;CC(C)N(C=NN)C=NN;MTXOMUVOGFRCHH-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45796;MM45796;CC=NOC(=O)CN(C)C;QTYRIEAYGDYYKL-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45797;MM45797;C=C(C)CCC(=O)C(=N)N;MHVDMXOGVVDCHF-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45798;MM45798;C=COC(C)ONC=O;ZAUQYBGJXOWPHZ-UHFFFAOYSA-N;131.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45799;MM45799;CC(=O)ON=C(C)N(C)C;FWHBVNYTNICNFX-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45800;MM45800;COCOC(=NN)NN;IONJMIRNNFPCIY-UHFFFAOYSA-N;134.14;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45801;MM45801;C#CCN(N)C(=NN)OC;AEVWUWXTKARPSS-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45802;MM45802;CNCC#CC#CC(C)O;FNYSPCQEWLZTQC-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45803;MM45803;CN(CCC#N)NC=O;ZKIXGWNHIVTOJO-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45804;MM45804;C#CCCC(O)CC#N;UQGCSKSZHRBOJL-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45805;MM45805;C=C(C)N(C=N)N=C(C)C;YQZCOFDRXPOEEI-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45806;MM45806;CNCC#CC(O)CCF;KJVOPFOZKJDWTJ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45807;MM45807;C#CCOC(C)CC#N;HCPLCHHXRYHPIU-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45808;MM45808;C#CCOC(C)OC=O;RZSCVGPWYUIUTJ-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45809;MM45809;C#CCCCC(=O)C(=N)N;BQTOUZJBDMXWPL-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45810;MM45810;CN(C)C(=NN)OC=O;BRKNDTWBEKHMRD-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45811;MM45811;NCC#CC=CC(O)CO;CDUFAUXFTUFBEK-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45812;MM45812;CC=NOC(=O)CNCC;MNDNMCKZFQYPAT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45813;MM45813;C=C(C#N)N(C)C=NNC;XACKBRZJDRGMBL-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45814;MM45814;CC=CN(C=N)N=CC=O;NPWZTWGKVPGAGU-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45815;MM45815;CNN=CC(OC)=C(N)N;KWWCCQNRARITSJ-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45816;MM45816;CNCC#CC(C)O;MPIAOSCHDMOMNJ-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45817;MM45817;C#CCC(O)CCC#N;VRTDWRAMGVVAIA-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45818;MM45818;C#CC(=NC)N(C=N)C=N;KDEYGLYSPWHHKB-UHFFFAOYSA-N;136.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45819;MM45819;C=NN(C=N)C=CCC#N;RAKBIGIAFLTYED-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45820;MM45820;C#CCC(O)COC=O;NHGLCLKGCZJLCD-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45821;MM45821;N=C(CO)NO;WEOOQFYHYZGYRC-UHFFFAOYSA-N;90.08;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45822;MM45822;C=CNC=NOCOCC;CZAIOQJRKSSRDT-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45823;MM45823;CCC(=O)C(=N)N;JMIYPIFSNOLUOO-UHFFFAOYSA-N;100.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45824;MM45824;CCCNC(C)C#N;YLKVFUGRWQHSBV-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45825;MM45825;CC(C#N)=NN(C)C=N;JFSPVRINVDNGRE-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45826;MM45826;C#CCC(C)(N)C(F)CO;PFGXAZFSWBYAOV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45827;MM45827;C#CCN(N)C=NOC;BDOAYEHUWFXVAA-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45828;MM45828;O=C(CCO)CCCF;NGFUIBHFLKBACE-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45829;MM45829;CCCN=C(CO)N(C)N;KZUPHDJVQWUABB-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45830;MM45830;C#CCN(N)C(C#C)=NN;SFTJNGCELIPAEY-UHFFFAOYSA-N;136.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45831;MM45831;CCCC(=O)CCOC;LRMMVQKUKLVVFR-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45832;MM45832;COCCC(=O)CCF;IHQUHWCDCJWWOG-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45833;MM45833;C=NN(C=N)C(=C)CC;KRRJIUWESPTNBL-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45834;MM45834;COCON(C)C=NN;STATXQYWUQVXOE-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45835;MM45835;C#CC(F)(COC)C(=N)N;WCUNYYDNABVJPO-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45836;MM45836;CC#CC(C=NN)=NN;BYGPVSRPXOFDER-UHFFFAOYSA-N;124.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45837;MM45837;C#CCN(N)C=NOC=O;WSFIGROWGOODPN-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45838;MM45838;NCC#CC=CC(F)CO;AHJACBDLAAGNLJ-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45839;MM45839;CCC(C#N)=NN(C)C=N;ZRKOIRVYFRGTSC-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45840;MM45840;COCCC(=O)COC;WDVLUEIBBKAGNQ-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45841;MM45841;C#CC(CF)=NN(C)C=N;CRPGGSSCYAIPJC-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45842;MM45842;N=CN(O)C=CCCC=O;WCVRWSOXKVIMEQ-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45843;MM45843;C=C(C#N)C(=N)N(C)OC;JASCFJXAMYJNMO-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45844;MM45844;CCNC(=O)CCOC;OYGDQLOTAHZZHD-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45845;MM45845;CON=C(C=NN)C=NN;UIJDLHUHKSHLJH-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45846;MM45846;C=NN=C(C=NN)N(C)N;DWJNYBJBWSHQIE-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45847;MM45847;C#CCCNCC(F)C#N;SWTKUZJZALVAHD-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45848;MM45848;C=C(C#N)N(C=N)C=NC;HCPZOOOFAQMYEQ-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45849;MM45849;CCNCC(C#N)=NOC;NAKMUPRLTWKGCT-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45850;MM45850;CCCNC(=O)COC;CVAIVGIVFCRXML-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45851;MM45851;C#CC(C=NOC)=CNC;JNLYJHVVLSRBSJ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45852;MM45852;CN=C(NOCC#N)OC;BWGAIBWOQIRRTN-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45853;MM45853;N#CCNC(=N)CF;PKMFGEHEBNNTCL-UHFFFAOYSA-N;115.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45854;MM45854;N=C(CF)NC=CF;VEVASSXBBQXIMR-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45855;MM45855;CN(CC(=O)C#N)N=CN;XZAGNXNHOHDQRF-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45856;MM45856;C#CC=C(OC)C(=N)NO;PHJXCMVSYFHUOP-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45857;MM45857;CCOC(=O)NCCF;BIJUHSHXWWQHEP-UHFFFAOYSA-N;135.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45858;MM45858;CONC(=N)OC(C)=O;ZXOQOWMPQIAZPA-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45859;MM45859;C=NN(C=N)C=C(C)C;ADGNYVOVWSVBNA-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45860;MM45860;C=NOC(=O)C(C)NC;PFMXPWCQDGXXNE-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45861;MM45861;C=C(CCO)OCCO;INWUNDUVQOXBOA-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45862;MM45862;C=C(CCO)OCCF;JQJVARRALFPIOO-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45863;MM45863;C#CC(CC#N)N(C)C;OVCILKBLEGWKFT-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45864;MM45864;C=C(CCF)OCCO;BSVQFRQKFIARKZ-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45865;MM45865;CC(C#N)OC(=O)C(=N)N;WACMZZKLROTHHH-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45866;MM45866;O=C(CCF)OCCF;PVKLCVIRPZVTPF-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45867;MM45867;C=C(CCO)OCOC;SEXSPABEDCSWEG-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45868;MM45868;CN(C)CC(C#N)CC#N;HRSYDFSBYUAUAO-UHFFFAOYSA-N;137.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45869;MM45869;C=C(C)C(C)C(C#N)NC;FNTZBNCWLAFURZ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45870;MM45870;C=CN(C=N)N=C(C)C#N;NUDKBAWUAQVXFW-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45871;MM45871;C=C(COC)OCCO;KMTDYTWIEPIYBZ-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45872;MM45872;C=C(COC)OCOC;BLPKTGXGBYCXJK-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45873;MM45873;COCOC(=O)COC;MOJICAXZCYIAGS-UHFFFAOYSA-N;134.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45874;MM45874;C#CC(C=C)=NN(C)C=N;LRKJLJVSCSGBIO-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45875;MM45875;CNC(C)C(C#N)=NOC;AHJODPBAUFUHLQ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45876;MM45876;CCNC(=O)OCOC;IWCFWAKKQPAOAQ-UHFFFAOYSA-N;133.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45877;MM45877;CC(C)OC(N)=CC=NO;VVMRJRZERDZTPD-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45878;MM45878;C=COCC(=NOC)NC;WLMPLAZFIMZSCY-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45879;MM45879;CCC(C=C(N)OC)=NO;UBMKCLPYYDEPEB-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45880;MM45880;CN=C(NOC)OCC#N;GOVACXGMZDJANX-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45881;MM45881;CCOC(=O)OCCO;UOQTVEMFXWKBBS-UHFFFAOYSA-N;134.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45882;MM45882;CCOC(=O)OCOC;QVNFJZHOWVJSJP-UHFFFAOYSA-N;134.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45883;MM45883;C#CC(=C)C(C=CN)=NO;BZUBYEJARJBZBZ-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45884;MM45884;CCC(=NN)N(C)C=NO;OGKYTZMDKRFWRH-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45885;MM45885;C=CCCC(=O)CCO;YHPCSZWXOYZIEI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45886;MM45886;N#CCCC(=O)CCF;HHGJQSAINFPIMF-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45887;MM45887;C=CC(N)=CC=NNC=O;JPHCWTSVUZNWQD-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45888;MM45888;COCC=CN=C(C)NO;VDPCGOJLMKWDHQ-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45889;MM45889;COCC(=O)CCC=O;PHPDSWCNCOXAKT-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45890;MM45890;COCC(=O)CCC#N;TUZLOHCBQUTUGQ-UHFFFAOYSA-N;127.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45891;MM45891;C#CCOC(C=NN)=CN;SQTINTPOYHYDSZ-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45892;MM45892;CN(C)C(=NO)NC(N)=O;NZZAFDDHCMLMSJ-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45893;MM45893;C#CC(=C)C(CO)NCC;SMOMJKJQRRCBEY-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45894;MM45894;C=CC(O)C(=N)NN=CC;ABECOXILIHCOFJ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45895;MM45895;CN(N)C=NOC=O;PVUCLFGZNUWQGH-UHFFFAOYSA-N;117.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45896;MM45896;C=C(CCO)COC=O;HGFMISXOCFUSSG-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45897;MM45897;C=COCC(=O)CCF;MEGLXQZZVMPQTN-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45898;MM45898;CC(=O)ON=CN(C)N;VMSXNJLLBVWBMA-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45899;MM45899;C=CCOC(=N)N(O)C=N;CWXWOCNIMGCRPE-UHFFFAOYSA-N;143.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45900;MM45900;C#CCNCC(=C)C#N;ULEPPIBOGATMOQ-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45901;MM45901;C#CC(NC)C(=C)C#N;VOESQQJERPYRIY-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45902;MM45902;C=NN=COC(=N)N(C)O;MJLWDJBOYRMWSI-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45903;MM45903;C=CC(=NOCC)NN;GYPZHOBXUORHFP-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45904;MM45904;CCNC(=O)CCC=O;OTIBNEGBGVSWFM-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45905;MM45905;C=CC(=O)ON=CN(C)N;ANQKCGOWGKDLHD-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45906;MM45906;CNC(C=C(C)F)CO;BXDCHNFCDBYXHG-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45907;MM45907;C=CCCC(=O)NOC;NVRWPZFSPZFPBD-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45908;MM45908;C=NN=CON=CN(C)N;LYYFZDOWJJKUJT-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45909;MM45909;CNN(C)C=NC(=O)OC;ZYOHHRWDITXGRH-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45910;MM45910;C=CCN(C=N)C(=N)C#N;LQIZHBKCVRMFEC-UHFFFAOYSA-N;136.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45911;MM45911;C#CC(C=NN)=C(N)OC;ZDMKQRJKXVDRKK-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45912;MM45912;CCCC(=O)NCC#N;MKOMVBQWHPSQKW-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45913;MM45913;CN(O)C(=N)C#CC#N;HTUKFHXAOZQVLC-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45914;MM45914;CNC(C=COC)=NOC;RWCASOAQFPQILK-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45915;MM45915;COCC(=O)NCC#N;ARLSEHLLPZSFBC-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45916;MM45916;CCCC(=O)NN=CN;CXGVBGGZYXEMBQ-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45917;MM45917;NC=NNC(=O)CCO;NUDQTWHKWLNJTJ-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45918;MM45918;COCC(=O)NN=CN;OIYQKNGUXVDGEI-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45919;MM45919;COCC(=O)NOC=O;ZUFTVUOQRQRCIK-UHFFFAOYSA-N;133.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45920;MM45920;CC1NC1(C)CF;JMSACCVNROESHE-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45921;MM45921;C=NN(C=N)CC;FGSUQCRLPCBHAI-UHFFFAOYSA-N;99.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45922;MM45922;C=CCNC(=O)NCC;IPNNSYVUNMQMQC-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45923;MM45923;CCNC(=O)NCC=O;APQVHUHCQHWMHB-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45924;MM45924;CCC(C)(C#N)NC;OUYNDYIXUXIYIG-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45925;MM45925;C#CC(=C)CNC(C)CO;LCVQWGYRXIAGCZ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45926;MM45926;CNC(C)C(F)CC(C)O;YZIYCMLZGQIHOJ-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45927;MM45927;CNC(C)C(F)CCO;MAPQYKWCOWPFDA-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45928;MM45928;CCN(C)C(=N)C=O;JAUVAIJRBXFASX-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45929;MM45929;CCN(O)C(C)=NC=NN;NJQIWRADZNMEBB-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45930;MM45930;CN=C(N)C(=O)N(C)N;SDVKDSVXHHVUCQ-UHFFFAOYSA-N;130.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45931;MM45931;CCOC(=O)NCC=O;HBKNPDRDIKERRP-UHFFFAOYSA-N;131.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45932;MM45932;CCOC(=O)NCC#N;AHGQESFVDCNOGJ-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45933;MM45933;C=C(CCO)OCC#N;ODULVSKJDYGRQK-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45934;MM45934;N#CCOC(=O)C(=N)N;BGCWIXJEHKHSAA-UHFFFAOYSA-N;127.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45935;MM45935;CC#CC(N)C(=O)OC;JCCXXZMAYXQVQL-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45936;MM45936;C=C(COC)OCC=O;HBDNJLRYMJJVBG-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45937;MM45937;C=C(COC)OCC#N;QZZJVVHDPKDDEX-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45938;MM45938;C=CCOC(=O)COC;QCXOXQDMZZKKIS-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45939;MM45939;COCC(=O)OCC#N;QYARFGSZHBIMTK-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45940;MM45940;C=NNC(C)=NC(C)CO;ICTNCFILXKMNHW-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45941;MM45941;CC(=CC#CCN)CO;ZANMCXAWHOQKPR-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45942;MM45942;CN=C(OC=O)N(C)N;HBEJQYNLVXXEDM-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45943;MM45943;C=C(C)C(=NOC)NN;WWJKATLZAPCSBV-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45944;MM45944;CCNC(=O)OCC#N;KWADTOUWLSKLJO-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45945;MM45945;CON(C=N)C(C)C#N;PLBCUMIXPSAULY-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45946;MM45946;CN(C)CC(N)=C(F)C#N;YRJLQJIPHUCFEA-UHFFFAOYSA-N;143.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45947;MM45947;CC(O)C=CC#CCN;DGVICUFPMBEWRW-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45948;MM45948;CC(=NN)N=C(C)N(C)O;CTSHRTFELSUOIR-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45949;MM45949;C#CC(=NN(C)C)N(C)N;ZPLOSBNIPIGYHP-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45950;MM45950;CNC(C)(C#N)CCCF;WYQZRCCZOBMHNH-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45951;MM45951;C=CCOC(=O)NOC;ZXAKETHBNHEYML-UHFFFAOYSA-N;131.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45952;MM45952;CONC(=O)OCC#N;ZBELGBRWDHEJQT-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45953;MM45953;CNNC(=O)ONC=O;VFFLFOWGBNJGJE-UHFFFAOYSA-N;133.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethyl 2-oxoethyl Carbonate";MM02496;CCOC(=O)OCC=O;BAFQEUCUKPTCAJ-UHFFFAOYSA-N;132.12;0.36;87169722;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45954;MM45954;CCOC(=O)OCC#N;JULHQMZZESYRKQ-UHFFFAOYSA-N;129.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45955;MM45955;C#CCCC(=O)CCO;ZQZAQQAINFKNQT-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45956;MM45956;CON=CNN=CNC=N;KSVQRRDSYOIVGQ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45957;MM45957;C#CC(=C)C(=NOC)NC;UQBLDHDVWRYCID-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45958;MM45958;C#CCCC(=O)NOC;WGTYUDMQLCFEOS-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45959;MM45959;C#CCNC(=O)CCF;UIEILBCXFHLKPJ-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45960;MM45960;C#CC(N)=C(C#C)C=NN;XMYUVFIRVNXTTP-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45961;MM45961;C#CCNC(=O)COC;ASVNVOFTXOJVMO-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45962;MM45962;C#CCNC(=O)NCC;JUYNEKPSUIOAAH-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45963;MM45963;C=CN(C=NC)N=CCO;OKWCIRWWQWHNSG-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45964;MM45964;C#CC1NC1C;PSDDUPWVMIMVBZ-UHFFFAOYSA-N;81.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45965;MM45965;C#CCNC(=O)OCC;XGGHCMUJAUKPIJ-UHFFFAOYSA-N;127.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45966;MM45966;CC(C)CNCC#N;DAYCWCMZFOMJDW-UHFFFAOYSA-N;112.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45967;MM45967;C#CCOC(=C)CCO;HNNXBNQYTLMWMX-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45968;MM45968;C=CC(=NOC)NN;OFBXQDAXNDHLEF-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45969;MM45969;C#CCOC(=O)CCO;MIFUAXRNZUBQRA-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45970;MM45970;C#CCOC(=C)COC;NSZTWNRKJHAJSP-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45971;MM45971;C#CCOC(=O)NCC;ZTANAACTSXSQGJ-UHFFFAOYSA-N;127.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45972;MM45972;CCN=CN(C)OC=O;MSCXRCSKZFOZDC-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45973;MM45973;C#CCOC(=O)NOC;BYIRHSWKOATVOV-UHFFFAOYSA-N;129.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45974;MM45974;C=CCC(=O)CCCO;XRNVBHKKPYKLPW-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45975;MM45975;C=CCC(=O)CCCF;TYLMOLTVMZLQNG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45976;MM45976;CC(C)(C#N)N=CNO;XCZKZYFBZOLUDF-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45977;MM45977;C=CCC(=O)CCOC;ZPCHHKFPVRAWSD-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45978;MM45978;C=NN=CNN=CNC=N;PSRWJAQADZJPLW-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45979;MM45979;C#CC(C#C)C(=O)C(=N)N;RGSSIOZHVHSMIA-UHFFFAOYSA-N;134.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45980;MM45980;CC(=O)CNC(C)C;YLSKXOORRICBCF-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45981;MM45981;C=CNC(=O)CCCF;KFMCUPIYYWSUNQ-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45982;MM45982;CN=CNN=C(C#N)C=O;CLVYQVOYVNSZLT-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45983;MM45983;C#CCON=C(C)NN;DMXLQZYUKRBPGV-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45984;MM45984;C=C(CCOC)NC=O;WNERFVZMRSQWCF-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45985;MM45985;CON=C(N)C(C)(C)C=O;BQRDWGBHYYGACE-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45986;MM45986;C#CCNC(C)CC=O;IMCYALOEGCIPOO-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45987;MM45987;C=CC(F)C(=N)NC=NN;KQRWEUILQQDVCX-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45988;MM45988;CNN=CNN=CNC=N;VANBDNBXOJIQHF-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45989;MM45989;COC(=NC(C)=N)NN;MLNDBEMMULDJMN-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45990;MM45990;CON(C=N)C=C(F)C=O;PENLHLRRLBDDTM-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45991;MM45991;C=CNC(=O)COCC;WIIXRSZEEXWHAG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45992;MM45992;C#CC#CC(=NN)N(C)N;FNMAWDHQHVAYGJ-UHFFFAOYSA-N;136.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45993;MM45993;COC(=N)N(C)C=NC=N;DYILEEGELZISHU-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45994;MM45994;C=COC(=O)CCCO;BQYXKFGJOOVTER-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45995;MM45995;C#CC#CC(=N)N(C)OC;SUUYCMDHZWENLJ-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45996;MM45996;C#CC(=C)N(C=N)OC=O;NQIGNUMPEZKRDV-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45997;MM45997;NC=C(C#CCF)C=NN;SDTGVJJKPFVBIT-UHFFFAOYSA-N;141.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45998;MM45998;CC1(CF)CN1;UEDMTUHSXQKHLL-UHFFFAOYSA-N;89.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM45999;MM45999;C=NN(C=N)C(=C)C;LPHMFZHUOXXNMA-UHFFFAOYSA-N;111.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46000;MM46000;CCCNC(=O)CC=O;DWERFNSKTADUGD-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46001;MM46001;COCON=CN(C)N;VWZVNVLEXHWWFL-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46002;MM46002;CN=C(C)NN=CNC=N;VFNNOAVGTNNLNB-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46003;MM46003;C#CC(C)(C=O)NCC=O;SOEZCZHHQUTEIR-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46004;MM46004;C#CC(=O)C(F)=CNC=N;IWIVXTFUHUQFCX-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46005;MM46005;CCONC(=O)CC#N;DGLXFIIZYGPGSH-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46006;MM46006;CC(=CF)C(=O)C(=N)N;QGOTXQGGVKERTC-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46007;MM46007;CN(CC#N)C(=N)CF;PACATVHSHREYCM-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46008;MM46008;CC(=O)OC(=N)NCC#N;JPEGGDURDVFMMY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46009;MM46009;C=NNC(=O)NCCF;OCZOMVGCRJYHMH-UHFFFAOYSA-N;133.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46010;MM46010;CN(C=O)N=CC=CNN;LNIVJVGPOZHWGC-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46011;MM46011;C=CC(=NNCC)NC=N;GSOIPIVBKCBIEQ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46012;MM46012;CC(=O)NC(=NN)N(C)O;FYGQHQXAEYTTQA-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46013;MM46013;C=NNC(=O)NOCC;QVDNAHDLTSBHCD-UHFFFAOYSA-N;131.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46014;MM46014;C=NN(CCF)C(C)=N;RMPFABKUJKHEAW-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46015;MM46015;NN(C=COC=O)C=NO;WAJFXNNAIISNAI-UHFFFAOYSA-N;145.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46016;MM46016;CN(O)C(=N)C(O)C#N;ORRSQVRRMNOSCI-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46017;MM46017;C#CC(CF)N(C=C)C=N;YNEPVJULPFNWNR-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46018;MM46018;C=NOC(=O)NOCC;GOGGEWCFMUOVJZ-UHFFFAOYSA-N;132.12;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46019;MM46019;C=C(CC#N)OCCO;JYOCYKOMZBLWPB-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46020;MM46020;C#CC(C#C)(C=O)NC;FVYJNSVNBNWKOY-UHFFFAOYSA-N;121.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46021;MM46021;O=CCC(=O)OCCF;JMMYMKIDSZTCLM-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46022;MM46022;C=C(CC=O)OCOC;TWCBPOSNKLUTHQ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46023;MM46023;C=CN(C=NN=C)NC;JQBQKNBMSVBAAV-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46024;MM46024;CCOC=CN(N)C=NO;BYEKHZILJRHQIE-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46025;MM46025;C=COCON=CN(C)N;UFQRQKDIPACYPM-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46026;MM46026;C=C(NC=O)OCCO;BPAZRYWDLNHKLM-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46027;MM46027;C=C(NC=O)OCCF;FMMCEERSGLUCTN-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46028;MM46028;CC#CCOC(=O)C(=N)N;PYAMMIKVWCZMBG-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46029;MM46029;C=CNC(=O)OCCF;XEYZELISZXSYPF-UHFFFAOYSA-N;133.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46030;MM46030;CCCOC(=O)NC=O;BSEMCWYBGLHNEL-UHFFFAOYSA-N;131.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46031;MM46031;CCN=CN(C)C(=N)C=O;YAFGMFVYRRSPPU-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46032;MM46032;CC(=NC=N)N(C=N)C=N;ISXFEHQPEMHYIC-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46033;MM46033;C=NNC(=NCC#N)NC;QSEFZHGISNTJFO-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46034;MM46034;CC(N)=C(C)C=NNC=O;GYLONBWRFHFLPE-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46035;MM46035;C=NNC(=O)OCCO;TVVHGKGGIMPVQS-UHFFFAOYSA-N;132.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46036;MM46036;C=NNC(=O)OCCF;VBIGBEXZWJONPG-UHFFFAOYSA-N;134.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46037;MM46037;COCC(=NN)N(O)C=N;DPGOBNOFTWKWQX-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46038;MM46038;C=NNC(=O)OCOC;WFXUGNYOUPKSRR-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46039;MM46039;N=C(N)C=O;WLXOMTDIFWATAC-UHFFFAOYSA-N;72.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46040;MM46040;C=COC(=O)OCCO;QIFSYKQMXBCHBM-UHFFFAOYSA-N;132.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46041;MM46041;C=COC(=O)OCOC;NDKNAKLNVKDSFE-UHFFFAOYSA-N;132.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46042;MM46042;C=C(CC=O)CCC#N;CUCWWWDCKKRUJJ-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46043;MM46043;C=C(CC#N)CCC=O;LMHDYTIAABULFP-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46044;MM46044;C=CCC(=O)CCC#N;BPJZNFDIFHVXIH-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-oxohept-6-enenitrile;MM02290;C=CCCC(=O)CC#N;ZYSWSPCZTYPBBJ-UHFFFAOYSA-N;123.16;1.44;24975800;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46045;MM46045;C=C(CC#N)CNC=O;WQVNBZVRKPBYPU-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46046;MM46046;C=CCC(=O)CNC=O;VGOYXADIJFFNHV-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46047;MM46047;C=NN=C(CO)N(C)N;QDSVKTCNBIHIAR-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46048;MM46048;C=C(CC=O)COC=O;JYXHCSAZGQMBQT-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02442;MM02442;C=CCC(=O)COC=O;HOSUEMYTQRKBBQ-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46049;MM46049;CC=NN=C(CO)N(C)N;BINLFCPFTZJOIZ-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46050;MM46050;C#CC=NN(C)C(=N)CO;GAAWWXBLUIUKGP-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46051;MM46051;CCOC=NNC(C)CN;OHMXJXFMUMMCAG-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46052;MM46052;CCON=CN(C)N;VEULZWHAUYFWOD-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46053;MM46053;CNC(C#N)C(C)C;LHZPNEANLZZZHS-UHFFFAOYSA-N;112.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46054;MM46054;C#CC(N)C(=O)OC=C;SOWIKAHJZRWPEE-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46055;MM46055;C#CCCON=CN(C)N;MIFGKCRBAFMDGE-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46056;MM46056;C=CNC(=O)CCC#N;IRLATZVSQXPDJR-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46057;MM46057;CN(C)CC(F)C(=O)C#N;KWTAKFBKCIBIRF-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46058;MM46058;C=CCCC(=O)NC=O;TZBHWVRZZOLPSB-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46059;MM46059;COC(C)=NNC(C)CN;GIYQOSQRNIPKTR-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46060;MM46060;CC(=NN)OC(=N)N(C)O;XOUHMFJXOQXWHP-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46061;MM46061;C=NNC(=O)CCC#N;UWALAQIZVZYCEW-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46062;MM46062;CNN=CN(O)C=C(C)C;ZWXXCXJGCGTMMF-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46063;MM46063;CC=CN(O)C=NC=N;QIHIGFPRQYUEPH-UHFFFAOYSA-N;127.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46064;MM46064;C=CN(O)C=NC=NC;SSAPMVPQNHQGRT-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46065;MM46065;CCON=C(NN)N(C)O;LPEHZLGZVXCYQB-UHFFFAOYSA-N;148.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46066;MM46066;CN(N)C=NOCC=NN;AKPWZMLEXWGXOZ-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46067;MM46067;C=CNC(=O)COC=C;LPAFXYFWIKPOFE-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46068;MM46068;C=COCC(=O)NC=O;DAERMRXDPQDVMQ-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46069;MM46069;CC(CCF)CNCC#N;WVWBTVLBBAUJHP-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46070;MM46070;C=COCC(=O)NN=C;CZQZWWWIFLNIBL-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46071;MM46071;C=NNC(=O)COC=O;CJKZVYMAGPLIPW-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46072;MM46072;CN=CN(C)N=CC(C)O;BKRVFPXCFFHRQU-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46073;MM46073;C=C(CCC=O)OC=O;MKQFXBQXDBIDPL-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46074;MM46074;C=COC(=O)CCC#N;CEBUYYPRHCSGFK-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46075;MM46075;CC(N)C(=N)N=CNC=N;RXDUZYUOIBVDOB-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46076;MM46076;C#CC(=CC)C(=O)C(=N)N;QCPMMHMPSRULBS-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46077;MM46077;C=COC(=C)CNC=O;KISVOIVCHHOKNP-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46078;MM46078;C=COC(=O)CNC=O;YXWGMFQHQCYITM-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46079;MM46079;CN(O)C(=N)NC(=N)C#N;OSUQGPVQBBCWMK-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46080;MM46080;N#CC(=CF)NC(=N)NO;DGLWWBILVYLQCP-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46081;MM46081;C=COC(=O)COC=O;KLBSROZEAJGVIY-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46082;MM46082;CC(F)C(=N)N(C)CC#N;NBLSULYJHIBWAW-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46083;MM46083;COCC(=NOC)N(C)N;SYEKBVNGKTYXKZ-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46084;MM46084;C#CC(=N)NOC(=O)CF;MFRHWCKQHIJMJL-UHFFFAOYSA-N;144.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46085;MM46085;CNC(=N)C(=NN)OC;GUAVPUAYMRCTDT-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46086;MM46086;COC(=O)C=NN(C)C=N;WDEZQOJOLWZUFP-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46087;MM46087;C=COCC(=NN)NO;QAEUSQFYVOAKKF-UHFFFAOYSA-N;131.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46088;MM46088;C=C(C)N=C(C=NN)NO;KDQPKGNISXESDI-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46089;MM46089;CC(=O)CCN=CN=CN;MAVONODJCDLCBM-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46090;MM46090;C=CN(CC)C(=N)C=NN;KSLSLJSPJVTESW-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46091;MM46091;CC(C)(O)CNCC#N;CYVJEFRFOMVMGA-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46092;MM46092;C=CCC(=O)NCC#N;NXKFODQPMXCBOM-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46093;MM46093;C=CCNC(=O)CC#N;MWBQAPDDXDMDKB-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46094;MM46094;N#CCNC(=O)CC=O;TZFFMEWDSTZGES-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46095;MM46095;C#CC(=CC=O)NC=NC;LFXZRCGDYCWMBR-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46096;MM46096;N#CCNC(=N)NCC#N;PSIJIHCIWQRJEM-UHFFFAOYSA-N;137.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46097;MM46097;COCCN(C)C=NOC;MZFCCHQXZKURDZ-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46098;MM46098;C#CCC(C)C(C#N)NC;RBKIFRAEUSKQJU-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46099;MM46099;C#CC=C(C#N)C(=N)NC;FCZQYRAOJGUOCE-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46100;MM46100;CC(C)(O)CCNCC#N;FDGIODCAGXMTNZ-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46101;MM46101;C=CNC(=O)NCC#N;NABMXYWJEABPID-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46102;MM46102;N#CCNC(=O)NC=O;AMSPJUKYKHUNJT-UHFFFAOYSA-N;127.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46103;MM46103;C=NOC=NNC=NC;BKZYZHWZODFLQO-UHFFFAOYSA-N;128.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46104;MM46104;CNN=CCON(C)C=N;IAOMJFFRNZUTRB-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46105;MM46105;C=CC(CNCCC)=NO;PGMUNHXSWYEQHM-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46106;MM46106;C=NNC(=O)NCC=O;HNCABXRBJMJWAP-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46107;MM46107;C=NNC(=O)NCC#N;WDBPEBAZUTZXPK-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46108;MM46108;C#CC(O)(C#C)CN;ACUOCPNZMVZYKI-UHFFFAOYSA-N;109.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46109;MM46109;O=CNC(=O)NOC=O;TXPWMBFLCSWMMC-UHFFFAOYSA-N;132.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46110;MM46110;N=C(N)C(CO)=NNC=O;FFNFSNQNLDIKFU-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46111;MM46111;CCC(N)C(C)=NNC=O;FSNPZSUAFKAISZ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46112;MM46112;CON=CNCC=CC=O;ACTPPZJUGYFJKV-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46113;MM46113;CC=NOC=NNC=NC;MTURFGXVPQDHHF-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46114;MM46114;CC(=NO)C(=N)N(C)C;WYZFHWJJUVEWHX-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46115;MM46115;C=NOC(=O)NCC#N;RUDOBABENMDBLJ-UHFFFAOYSA-N;127.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46116;MM46116;COCOC(=NC=N)NN;WEYSNSVSBGFGFJ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46117;MM46117;C=NOC(=O)NNC=O;SURMDOMJHJBRKY-UHFFFAOYSA-N;131.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46118;MM46118;C#CC(O)C(=CF)NC=N;ZYPKSVBRJRQWAT-UHFFFAOYSA-N;142.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46119;MM46119;C#CC=CNC(=NN)OC;CSAZBLMRNSZLFE-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46120;MM46120;C=C(CC#N)OCC=O;BNRJVZXNZUCJGT-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46121;MM46121;C=C(CC=O)OCC#N;GKZLSRKAKXPEDM-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Prop-2-enyl 3-oxopropanoate";MM02850;C=CCOC(=O)CC=O;FIEBLNZZFUABRG-UHFFFAOYSA-N;128.13;0.3;21353584;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Prop-2-enyl 2-cyanoacetate";MM02891;C=CCOC(=O)CC#N;WXKCRCGKCOKJEF-UHFFFAOYSA-N;125.13;0.63;25919;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02854;MM02854;O=CCOC(=O)CC=O;ZEWGLVFOQYSNDC-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46122;MM46122;N#CCOC(=O)CC#N;SZZXUSLXMQHRBS-UHFFFAOYSA-N;124.1;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46123;MM46123;C=CCC(=O)ONC=O;IDNDLULOSAADCW-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46124;MM46124;C=C(NC=O)N(C=N)OC;SVLZXQGGFLWYIE-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46125;MM46125;N#CCC(=O)ONC=O;FIMCGUITPBDFCB-UHFFFAOYSA-N;128.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46126;MM46126;FCC1CN1;OHLPPEFMXVSCDP-UHFFFAOYSA-N;75.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46127;MM46127;C=CC(O)C(F)C(C)N;ZDUVIIGJPZKIOG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46128;MM46128;C=C(NC=O)OCC#N;MONQVZUYKMBMSK-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46129;MM46129;C#CC1CN1;QDYWNLSULCXJQT-UHFFFAOYSA-N;67.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46130;MM46130;CCOC(=NC(C)=N)NN;JGOYDIHGXNRTRG-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46131;MM46131;C=CCNC=NOC;RLONIGXBZDKLEH-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46132;MM46132;N=CN(N)C(=N)OC=O;LMLLLICGDJRQAP-UHFFFAOYSA-N;130.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46133;MM46133;N#CCOC(=N)NC=O;WCXPPJYEECSBNB-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46134;MM46134;C=CCOC(=O)NC=C;VKQFRUKOWMOZBX-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46135;MM46135;C=CNC(=O)OCC=O;NEVHQFSVNDJXNL-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46136;MM46136;C=CNC(=O)OCC#N;MFCGDQBBCOEKIB-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46137;MM46137;C=CCOC(=O)NC=O;FBOHIZIQZQSFLG-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46138;MM46138;N=CNC=C(F)C(N)=O;CMIHLLMNEHDZOI-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46139;MM46139;CCCN(N)C(CO)=NC;WCSKEJVDKJKGTB-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46140;MM46140;C=NNC(=O)OCC=O;ZOFKAJJLMBBHAN-UHFFFAOYSA-N;130.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46141;MM46141;C=NNC(=O)OCC#N;KTTJEDRQCWYPJU-UHFFFAOYSA-N;127.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46142;MM46142;C#CC(N)C(=O)OCOC;MKPNXRAYLJIIOA-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46143;MM46143;CNCC#CCO;IKFFVSYCVWIRMT-UHFFFAOYSA-N;99.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46144;MM46144;C=CNC(=O)ONC=O;SMUWTZAQXYYLIN-UHFFFAOYSA-N;130.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46145;MM46145;O=CNOC(=O)NC=O;HZWBAJOVVGEBBJ-UHFFFAOYSA-N;132.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46146;MM46146;CCN(C=NN)OCCF;QXCGYZICGAZAKZ-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46147;MM46147;C#CC(C#C)C(=NN)NN;RIMUOYHBIOWGMF-UHFFFAOYSA-N;136.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46148;MM46148;C=NNC(=O)ONC=O;TZEUZEIKTZGGJN-UHFFFAOYSA-N;131.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02492;MM02492;C=COC(=O)OCC=O;JKMPKAIELWUPGJ-UHFFFAOYSA-N;130.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46149;MM46149;C=COC(=O)OCC#N;PMKQTBGUTKJAHY-UHFFFAOYSA-N;127.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46150;MM46150;C#CC(=NOC)C(C)=CN;QAJNRPALQQAVII-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46151;MM46151;CC=C(C#N)N(C=N)OC;HPYALBWSFADEKD-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16043;MM16043;C#CCCC(=O)CC=O;BRQQCYIYDJFJNE-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46152;MM46152;C#CC(N)C(=O)OC;ZEMWWVKFOFQAHL-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46153;MM46153;C#CCNC(=O)NC=C;YDKLAYGDZSJYPT-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46154;MM46154;CNC=NOC(C)=NNC;XEUHLBNYRFZZTJ-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46155;MM46155;C#CCNC(=O)NN=C;JANYFJLONFMARX-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46156;MM46156;C#CC=NN(C)C=N;IKDJPTAFYRYNNZ-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46157;MM46157;CCCN=CNC(=N)CO;SSIZDVJQIWMTND-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46158;MM46158;C#CCOC(=C)CC#N;OXBLHAIZNNUYKV-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15976;MM15976;C#CCOC(=O)CC=O;IIBBOVMLYAKYOY-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46159;MM46159;C=CCON=C(C)NN;GKJOFNLTARQWIM-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46160;MM46160;C#CCOC(=C)NC=O;QJCMWVWRZXMMDT-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46161;MM46161;C#CCC#CC(C)(N)CO;JDMZUOMSODYDQC-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46162;MM46162;C#CCOC(=O)NN=C;BAXRGHQYTXWICM-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46163;MM46163;C#CCOC(=O)OC=C;YTLAWISHISZTDJ-UHFFFAOYSA-N;126.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46164;MM46164;C#CCC(=O)CCCO;ZMFRPLXGJNIEBJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46165;MM46165;CNN=CC(C)=NOC;FGKNJEUOTQUBON-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46166;MM46166;CC#CC=NN(C)C=N;XSMDWZLCDQLKDX-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46167;MM46167;C=COC(=O)C(N)CF;LQUWGSIESIIHHE-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46168;MM46168;C#CCC(=O)OCCO;NBJYFTDVOZEGQR-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46169;MM46169;C#CCC(=O)CCC=C;XZLMETJBIXCHHG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-oxohept-6-ynal;MM02431;C#CCC(=O)CCC=O;LZODUMPGEGCELP-UHFFFAOYSA-N;124.14;0.56;87547761;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46170;MM46170;CCCC(=NOC)NN;FLWSWIHTGPDDNG-UHFFFAOYSA-N;131.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46171;MM46171;C#CCC(=O)COC=O;WZYHJCZRNYOZLL-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46172;MM46172;C#CC(C=CN)=NOC;OXUQYWRKRFCGHK-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46173;MM46173;C#CCC(=O)NCC#N;CDMBJOUWCQOAFF-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15715;MM15715;C#CCC(=O)OCC=O;BKNJKOJRXOTCBY-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46174;MM46174;C#CCC(=O)OCC#N;GUFULLOPMWTMCM-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46175;MM46175;C#CCNC(=O)CC#C;LNZQXAFFPUABQQ-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46176;MM46176;C#CCOC(=O)CC#C;ABUIAAPXSPVSBT-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46177;MM46177;CCC(C)C(C#N)NC;NXMNMOUBHUOCRH-UHFFFAOYSA-N;126.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46178;MM46178;C=NNC=NCCCF;QTKVNGNWNGEMGI-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46179;MM46179;CC#CC(NC)C(C)O;VYGBHAYPZVRYFS-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46180;MM46180;C=CC(C)OC(=O)C(=N)N;BUOQSEXGFNXQQT-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46181;MM46181;C#CCNCC(O)CC#C;SZYHXSYAFDZFEJ-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46182;MM46182;OCCC(F)CC=NO;PJYMHCHOKYVSBM-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46183;MM46183;CN=CN(C)OC(=O)C#N;MHGZNFZWMVOWON-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46184;MM46184;CN(N)C(=O)C(=N)NN;WFKGEQWZKAVDMF-UHFFFAOYSA-N;131.14;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46185;MM46185;COCC(F)CC=NO;AGUARBHDCVKCMC-UHFFFAOYSA-N;135.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46186;MM46186;C#CC(N)C(=O)OC(C)C;JEPPDOXYCXQKJW-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46187;MM46187;CC(C(C#N)=CN)N(C)C;QJAJNEYEQRPNJE-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46188;MM46188;C#CC(=N)NOC(=O)C=C;VKYJTCKWAVJJGS-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46189;MM46189;C#CCOC(=O)C(N)C#C;ZXWKVSSBSQSLPJ-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46190;MM46190;CCONC(=N)OC(C)=O;NZIZIIYJQJKKTK-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46191;MM46191;CCC(C=NO)=C(N)OC;SZAKGVIVBJIZCN-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46192;MM46192;CC(CCO)OC=NO;GRNISDXZPLHVGK-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46193;MM46193;C=NN=CC(C=CN)=NO;NMATZKUBCSMUFS-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46194;MM46194;CCOC(C)OC=NO;SVLNRKHFERFUNG-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46195;MM46195;C=CNC=NOC(C)C#N;ZVYZIRTZVQSOEK-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46196;MM46196;CN(C=N)N=CC#CCF;KIHHFIZCFCAEIH-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46197;MM46197;C=CNC(=NN)N(C)O;KCQNVNVMLWUQMT-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46198;MM46198;C=CC#CC=NN(C)C=N;HQSXRKZNVJTKPC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46199;MM46199;C=CC(C)NC(CO)CO;QMPSXNHBLKWNEQ-UHFFFAOYSA-N;145.2;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46200;MM46200;CC=CCC(O)CC=O;NCHCLAQDLHZEIV-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46201;MM46201;O=CCC(O)CC=CF;ITXVBGSNYJXSRB-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46202;MM46202;C=CCOC(N)=CC=NO;DMFBVAIZVRREJR-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46203;MM46203;COC(C)=CN(N)C=NO;LCBVMDIWOACSJJ-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46204;MM46204;C=CCC(O)CC=NO;XAVIASFJXXVIOW-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46205;MM46205;CN(C=N)N=CC#CC=O;FKDNINXUMICDKW-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46206;MM46206;CN(C=N)N=CC#CC#N;MXDRPIMIPAWTJU-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46207;MM46207;CNN=CNC(=N)N(C)O;ZJBZQYYCFWHRKK-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46208;MM46208;CC(CC=O)OC=NO;XSWRRDGWRONZRN-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46209;MM46209;CC(CC#N)OC=NO;HFKJOXRFMFCCSQ-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46210;MM46210;C=COC(C)OC=NO;GMGIZAFDRMBGJM-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46211;MM46211;C=NOC(C)OC=NO;NKNDFFNEAPAJGS-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46212;MM46212;C#CC#CC=NN(C)C=N;YPNBBGVHJQZDHN-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46213;MM46213;C=NN=C(C(C)O)N(C)N;XFPVVQCLVKCUAS-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46214;MM46214;C=C(C#N)NC(=N)OC;RVBRXBHXETUOHE-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46215;MM46215;CN(C)N=C(CO)NO;IIEINBMWAHNBIY-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46216;MM46216;CN(CC#N)CC=NO;VQFJTYLGBJHAGJ-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46217;MM46217;CC(=NOC(C)C)NN;UVIQNYHEIADRKQ-UHFFFAOYSA-N;131.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46218;MM46218;CNN=C(NO)N(C)C=N;JWCNMSMJIYCTQM-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46219;MM46219;CN(O)C(=N)C(C)(C)N;YDQROWUNYMQKTP-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46220;MM46220;C=CCN=C(NO)OC;GZDZLSYQDAPDOY-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46221;MM46221;C#CCC(O)CC=NO;YJWWYIUHNOOOHT-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46222;MM46222;C=C(CC=NO)CCO;JKGYBLSWNFHBCM-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46223;MM46223;C#CC(=C)C(=O)C(=N)N;PSWCHKYFHDZGAN-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46224;MM46224;N=CN(C(=N)N)C(N)=O;LWLLBNYNKUIDET-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46225;MM46225;CC(=NOCCF)NN;FZDYAOXZNPBMHI-UHFFFAOYSA-N;135.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46226;MM46226;C=CNC(=NN)C(C)CO;TYNBIMJDXMMMQW-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46227;MM46227;C=C(N=CNO)NC=NC;JLFUFZBFGDJFPH-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46228;MM46228;CC=CNC(=O)CCF;QEAGMZBRWXYSCT-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46229;MM46229;C=COC(=C)C(N)CCO;OBJBBSLUEOKPBW-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46230;MM46230;CNC(CF)CCCO;BHQRUHMTSTXDNJ-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46231;MM46231;C#CC(=NC=N)N(C)N;OWEXXLPCHPNDRU-UHFFFAOYSA-N;124.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46232;MM46232;NCC#CC=CCC(N)=O;RBRRPKQMAXONGO-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46233;MM46233;NCC#CC=CCCO;LZDBDQGZHCKJFR-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46234;MM46234;C#CC(CC=O)NCC;XKVBTNLADMNBCF-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46235;MM46235;C#CC=NN(C=C)C=N;VKSCGIMXAYKHML-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46236;MM46236;CNCC(=O)ON(C)C=O;WKOAQYCETNEEIN-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46237;MM46237;COCC(=O)NC=CF;JYHLHXTWTKHMSI-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46238;MM46238;C#CCC(=NOC)N(C)N;MWNKOEKQKOVVHX-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46239;MM46239;C=C(C#N)N(C=N)CC#N;HOZHYECQWBRSOI-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46240;MM46240;CON=C(NN)N(C)O;BFPKZQPDILBZOY-UHFFFAOYSA-N;134.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46241;MM46241;COCOC(C=NN)=CN;KXIMZNRMAAOHAB-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46242;MM46242;CN=CNC(=O)COC;YMBLSEVHDMZAJW-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46243;MM46243;C=C(C=NN)C(=NN)NO;YIUFZXLDEHGDMH-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46244;MM46244;CC(CO)NC(C)(C)C#N;UNZGNQCLCVOPKE-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46245;MM46245;CC(C=O)CNC(C)C#N;LEMZNQBWOKKXOJ-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46246;MM46246;CC=NNC(=O)COC;HQENGBXNNHGCLE-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46247;MM46247;CC=CNC(=O)NCC;LYOGSXLHCLXPIC-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46248;MM46248;CCNC(=O)NC=CF;IXNPIQSVJOLSFU-UHFFFAOYSA-N;132.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46249;MM46249;C#CC(C)NCCC=O;QNSKCCCGOLNUQA-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46250;MM46250;N#CCC(=N)N=CNC=N;HGJJSDRVRRGWQH-UHFFFAOYSA-N;137.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46251;MM46251;CNC(=N)ONC(=N)NN;LMMPOKGFZPHHIG-UHFFFAOYSA-N;146.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46252;MM46252;N=CNC=NNC=N;RWJOZVPMGVPFSR-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46253;MM46253;CCNC(C)C(C)=O;WZUCMUUZXSDSBE-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46254;MM46254;CC=NNC(=O)NCC;UHUNLDSMYQAHGB-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46255;MM46255;C#CC(OC(C)=O)C(=N)N;MRPAKDVAZDXYST-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46256;MM46256;CNN=C(NC)C(C)F;CSFZTOFPMWADJX-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46257;MM46257;CC=NNC(=O)NOC;FIJNVTWNOHWPMP-UHFFFAOYSA-N;131.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46258;MM46258;CC#CC(=N)N(C=N)C=N;SMTVMEXSYLSDND-UHFFFAOYSA-N;136.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46259;MM46259;C=CCOC(=O)C(=N)N;SKJUSLVNEDOQLZ-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46260;MM46260;CN=CN=C(C=NN)NN;HTGWTUSHNHBVSY-UHFFFAOYSA-N;142.17;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46261;MM46261;CCCON=C(C)NN;WUNJJQLXQUVXFK-UHFFFAOYSA-N;131.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46262;MM46262;CCCN(C=NN)OC;QHTBANNHQHRVCN-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46263;MM46263;O=C(CCO)OC=CF;DKITUPWIIXDABT-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46264;MM46264;C=CCON(C=NN)CC;LCLSVPBVBPBLFV-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46265;MM46265;C=C(CCO)OC=NO;CPSJFNRNRGDQFQ-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46266;MM46266;CNC(C)(C)C(=O)CCF;LPZUTQJEPZMDEO-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46267;MM46267;N=CN(N)CC(=NN)NN;RRXBIAAZORSPLE-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46268;MM46268;O=CCNC(CF)CF;JWUDHJMTQRMHCU-UHFFFAOYSA-N;137.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46269;MM46269;CN=CN(C)C(=N)C#N;LUCMCIRNRGFMFL-UHFFFAOYSA-N;124.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46270;MM46270;C#CC(=N)N(C=N)OC;XJDVBAJAKMLLHI-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46271;MM46271;C=CNC(CCOC)=NN;JFQQZWVBJAWNHV-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46272;MM46272;CCC(=NN)ON=CNC;ZIHJBWGRDMAECB-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46273;MM46273;CCNC(=O)OC=NO;LLTFJJIKEHPUKO-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46274;MM46274;CN=CN(C)N=CCF;TTXCGYMTLPWSBC-UHFFFAOYSA-N;131.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46275;MM46275;C#CCN(N)C=NC=NC;MVYJCVNOPCYDJU-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46276;MM46276;CC=NOC(=O)NNC;XROHOWYCHQQRPQ-UHFFFAOYSA-N;131.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46277;MM46277;CNN=C(C#N)C(C)NC;BBJBZJIORCRKAU-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46278;MM46278;CC=NOC(=O)NOC;LNQXWODORDTDBH-UHFFFAOYSA-N;132.12;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46279;MM46279;CCC(=NN)NCC=NN;MGVRMSFCSYMFMX-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46280;MM46280;C=CCC(=O)CC=NO;WEBGVFTWPNZCNT-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46281;MM46281;C#CCN(N)C(C)=NOC;FDYKLSBTJJDMHT-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46282;MM46282;CNC(N=CNN)=NOC;WVLKTFLNTOCDHV-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46283;MM46283;CC(F)C(=NC=N)N(C)N;CWASSNYZKZXOSQ-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46284;MM46284;CC(=NO)C(C=CN)=NO;UBAYMTAECZQZST-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46285;MM46285;COCCN(N)C=NOC;LCJSBCAEOUBSRK-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46286;MM46286;C=COC(=O)CC=NO;DJVRXZPAMDZZSF-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46287;MM46287;C=NOC(=O)CC=NO;JAPVHPJZLKBOCA-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46288;MM46288;NN(C=CF)C=NO;NIKOIQFWLMGDCD-UHFFFAOYSA-N;119.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46289;MM46289;CC=CNC(=O)CC=O;YUPVZNKDYVWOCW-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46290;MM46290;CC=CNC(=O)CC#N;KRYRFJBBKZVVFU-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46291;MM46291;C#CC(C)N(N)C=NOC;SGKCXXGZJWRDGL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46292;MM46292;CNNC(=N)N(C=O)NC;XXLSKHLEOCLZFL-UHFFFAOYSA-N;145.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46293;MM46293;C=CN(N)C=NC=NC=O;VBWPRIOYOQWQDS-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46294;MM46294;CC(F)=CN(N)C=NO;BNQZGJCXRNTXAD-UHFFFAOYSA-N;133.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46295;MM46295;CN(C)C(CCF)=NO;NLYLIEUPMJQEDN-UHFFFAOYSA-N;134.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46296;MM46296;NC(CC=O)=NC=NO;OFSRIVPZLYSFLJ-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46297;MM46297;C=CCC(=O)NC=NC;KNWSPSFTFCKQIS-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46298;MM46298;NNC(=NO)NO;AETLVHKNEVFJAW-UHFFFAOYSA-N;106.09;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46299;MM46299;C#CC(N)C(=NN=C)OC;IMIXQHLQKZSIIB-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46300;MM46300;CC=CNC(=O)NC=O;BMYJQNDIKCDLDF-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46301;MM46301;N#CCON(C=N)CC#N;LYGMIXIVUBKNRB-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46302;MM46302;C=NN=CN=CNC=N;LAGJKPUACZOPIX-UHFFFAOYSA-N;125.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46303;MM46303;CNC(C)(C#N)C(C)O;BXTMCIJGPLVWLW-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46304;MM46304;C=NNC(=O)NC=CC;IKJYELQQOBYALA-UHFFFAOYSA-N;127.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46305;MM46305;C=NNC(=O)NC=CF;JYJBWIALUNVXOO-UHFFFAOYSA-N;131.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46306;MM46306;CCC(C#N)(CO)NC;QQXKEZGLUDMAPP-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46307;MM46307;C=NNC(=O)NC=NC;UXRBFCXFQIKVLH-UHFFFAOYSA-N;128.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46308;MM46308;C#CC(=N)N(O)C(C)C#C;QNPXNADHNXSKCV-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46309;MM46309;CC=NN=CN=CNC=N;RVHOMDUFBKYABJ-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46310;MM46310;N=C(NO)OC(N)=O;RILHGPBSFLIFDL-UHFFFAOYSA-N;119.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46311;MM46311;C=CNC(=O)NN=CC;GNFUJBSVPBWHDS-UHFFFAOYSA-N;127.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46312;MM46312;CC=NNC(=O)NC=O;LLUBQBOLKUBIBZ-UHFFFAOYSA-N;129.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46313;MM46313;CNC(=O)OC(=N)NO;UNILDWZDCFZGBL-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15274;MM15274;C=NNC(=O)NN=CC;RXTRLMNCINLJCP-UHFFFAOYSA-N;128.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46314;MM46314;N#CCN(C=N)C=NC=N;ZEKHIRDKEMAJIH-UHFFFAOYSA-N;137.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46315;MM46315;C=COC(=C)NC=NO;CIRPEWVRCYYKEV-UHFFFAOYSA-N;128.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46316;MM46316;C=C(NC=NO)OC=O;WWIUZCXNSOOHRM-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46317;MM46317;CN=CN=C(CF)N(C)N;FSCWGSFUBPUMLB-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46318;MM46318;C=C(C)CNC(=N)C=NN;QKEUHWRZICFQSG-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46319;MM46319;C=NOC(=N)NC=NO;IVTZFXDYCPRKCE-UHFFFAOYSA-N;130.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46320;MM46320;C=NOC(=O)NC=NC;RHEUSWZWDZKNQY-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46321;MM46321;CN=C(NNC)N(C)C=O;GDAQPHOOCWSSQX-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46322;MM46322;CNCC#CCONC=O;LUEKDWIPRAZPIP-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46323;MM46323;C=NOC(=O)NN=CC;KVWNIUSTOCGMCH-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46324;MM46324;C=CCC(=O)OC=NO;GMHJCFKCLPHUBP-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46325;MM46325;N#CCC(=O)OC=NO;GPHOWHHJMBDHHG-UHFFFAOYSA-N;128.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02878;MM02878;CC=NOC(=O)CC=O;DHTQEUYLMFZNMS-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02922;MM02922;CC=NOC(=O)CC#N;RLIOBESFPBKHGK-UHFFFAOYSA-N;126.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46326;MM46326;CNN=C(N)C(C#N)C=O;NOBGUIATXLMRHM-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46327;MM46327;C#CCCNCC(=O)C#N;PXYQKGYQHNKQAW-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46328;MM46328;CCCNCC(C)=NO;NFNBUNIDYLHOIG-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46329;MM46329;C#CC(O)(C=NN)C(=N)N;CSJDIKPAJMHNEJ-UHFFFAOYSA-N;140.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46330;MM46330;N=C(NN)NC=O;JAYFFOOMZSYCOA-UHFFFAOYSA-N;102.1;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46331;MM46331;C=CNC(=O)OC=NN;VAKIKJCHCLPUKG-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46332;MM46332;C#CC(=O)OC(=N)NO;MNPUXAOJZYNHNC-UHFFFAOYSA-N;128.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46333;MM46333;C=NNC(=N)OC=NO;TZMHHDBYOOHLRY-UHFFFAOYSA-N;130.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46334;MM46334;C=NNC(=O)OC=NN;OFNSCMSFADNDTR-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46335;MM46335;C=NNC(=O)OC=NO;FHBUZQBCZUNHTI-UHFFFAOYSA-N;131.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46336;MM46336;CCON=C(C)NN;FYZVFRIOQUOBJP-UHFFFAOYSA-N;117.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46337;MM46337;CC#CC(C)(N)C(O)CF;ZMWIRBKQXNDGCD-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46338;MM46338;CC=NOC(=N)NC=O;VOYORVFJYWUXAQ-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46339;MM46339;CC=NOC(=O)NC=N;CZFQAAPMUPKTFD-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46340;MM46340;CC=NOC(=O)NC=O;FMADBSVWZWDDAQ-UHFFFAOYSA-N;130.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46341;MM46341;C=CC(=NO)C(=N)N;DOWJMZQDOSAKSJ-UHFFFAOYSA-N;113.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46342;MM46342;C=NNC(=O)ON=CC;HDAXRMABQPCOBX-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46343;MM46343;C=COC(=O)OC=NO;TVELLWHWTYWCRQ-UHFFFAOYSA-N;131.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46344;MM46344;CC#CC(=O)OC(=N)NO;HBXMPFUCVUNLCK-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46345;MM46345;C=NOC(=O)OC=NO;KWOHXZMILKJWHT-UHFFFAOYSA-N;132.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46346;MM46346;CN(C=N)N=CC=O;UHMBAYLQPOONPR-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46347;MM46347;C#CCC(=O)CC=NO;IDNHDLTYVARJJC-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46348;MM46348;CC(C)OC(=O)C(=N)N;IBZVPUCIVCZBHO-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46349;MM46349;C#CCC(=O)NC=CC;BVOSLUGMRVXKFS-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46350;MM46350;C#CCC(=O)NC=CF;GFXWUCHUBKUVMA-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46351;MM46351;C=C(NC=NOC)C(C)O;TYGGSMKZQUSNDA-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46352;MM46352;C#CCC(O)C(C#C)NC;AOOVNCJVFFLGSP-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46353;MM46353;CC(C#N)NC(C)(C)CO;AQRGUWVGLAZQER-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46354;MM46354;C#CCC(=O)OC=NO;UCKVMXRLXOYKBQ-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46355;MM46355;CCCN=CNN=CCO;DDCVCEFALULYLJ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46356;MM46356;C#CC(C#C)N(O)C(=N)N;BONIDGLGSHGNSV-UHFFFAOYSA-N;137.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46357;MM46357;CC(=NOC=O)N(C)N;QKYCKGWGHLWDHJ-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46358;MM46358;N#CC=C(C#N)C(=N)NO;LBRBUHNDUSEGJS-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46359;MM46359;CN(C=CC#N)N=CNO;PPINPKWYPLZYES-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46360;MM46360;CC#CCC(=O)NC=O;QEIYTEOZHVFVLM-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46361;MM46361;CN=C(CO)NC=N;OLQMJSUAJXRMCL-UHFFFAOYSA-N;115.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46362;MM46362;CN=CN(C=NC)OC;PUPNBOMCHTYBIL-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46363;MM46363;C=CCCC(N)C#CCO;RCIOKSOVHWCXTO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46364;MM46364;CN(N)C(CF)=NC=N;XSLRUSSAJJRIEP-UHFFFAOYSA-N;132.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46365;MM46365;N#CCON=CC=CN;XKDHBHKYYNIFKZ-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46366;MM46366;CN=C(C)N(C)C(N)=O;LGDAKCFRVLHSIZ-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46367;MM46367;C=CC(CO)(CO)NCC;IOEILRWKYJDARH-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46368;MM46368;C#CCNC(=N)OC(C)=O;FTNHTJYIVQJBPT-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46369;MM46369;C=CC(CF)=NN(C)C=N;AGWRRAIQSZTVCC-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46370;MM46370;C=CC(C=C)=NN(C)C=N;HVTFMWCUOIBLMD-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46371;MM46371;C=NOC(=N)NCC=O;NUFXBXVBXCRSHC-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46372;MM46372;C=CC(C)(O)CC(N)CF;DKBSQASREXRUAN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46373;MM46373;N#CC#CC(=N)NCC#N;PHTUNOCENXTHSN-UHFFFAOYSA-N;132.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46374;MM46374;N#CC(=NOC=O)NC=N;INDMHAICLPADAV-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46375;MM46375;C=CN(C)C=NOCC#N;QVOJTIMYQAYYNW-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46376;MM46376;COCOC(C)C=NO;GQJKKKZFVIGPPG-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46377;MM46377;CCC(=NOC=O)N(C)N;OLKDNJZRVLBUOO-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46378;MM46378;CON=C(C)NN;WOUKMVOTJJMIBM-UHFFFAOYSA-N;103.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46379;MM46379;CON=C(C)C(C)(N)CO;SQAZDQPGFAHQIH-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46380;MM46380;CCC(=NOC)NN;UYGAUOARZLVCIO-UHFFFAOYSA-N;117.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46381;MM46381;C#CC1(CC)NC1C;AOQMCFCIMFUXAL-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46382;MM46382;C=CN(N)C(=NNC)OC;RBYSMSFYOTVBEI-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46383;MM46383;C=C(F)C=NN(C)C=N;HHKSAGWSTFJDJD-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46384;MM46384;C=CN(C=N)C(=O)C(=N)N;WFPSKVNVVFQOKV-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46385;MM46385;C#CC(=C)C(C)(CO)NC;AVIHWAHHJMCUNP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46386;MM46386;C=C(C)NC(=NN)N(C)O;BVLUXGFLXKBYGG-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46387;MM46387;C#CC(N)(C=NNC)CF;CSWQWSLEWJMRQY-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46388;MM46388;C#CC(C=C(N)OC)=NN;NOHMNNWEWWQUEL-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46389;MM46389;CNC(=NC(C)=NN)OC;ZUDTWMGIKWTOCN-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46390;MM46390;COCON(C)C=NO;ZMZIIRAFCGKIIL-UHFFFAOYSA-N;134.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46391;MM46391;O=CCCC(O)C=CF;UNYKFQANEXPTLG-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46392;MM46392;C=CCCC(O)C=NO;BSUCXMFCQIOCJI-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46393;MM46393;N#CCCC(F)C=NO;CEBBGAGUDWFBFC-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46394;MM46394;O=CNCC(F)C=CF;FNVLNHIJIRBUPG-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46395;MM46395;C#CC(C#N)=NNC=NC;KHDBSSJTZJTGGS-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46396;MM46396;C=NNCC(F)C=NO;BHYUWHYSXBQNGL-UHFFFAOYSA-N;133.13;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46397;MM46397;C#CC(N)=CC(C#C)=NN;HYSMYMUAAIDRAZ-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46398;MM46398;C=CC(OC)C(=N)NN=C;HXYRDAJVFISAEZ-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46399;MM46399;C#CCCN(N)C=NOC;LTOBDMFMJKEZTA-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46400;MM46400;C#CC(=N)NC(=N)C#N;SOODJQOUVBEDNQ-UHFFFAOYSA-N;120.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46401;MM46401;CN(C=N)C(=NN)NO;DSWHMSSVLSPVCH-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46402;MM46402;CC(C=NOCC#N)=CN;RMBOOLXCWCSFST-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46403;MM46403;CC=CNC(=NN)NO;MUTXZKSVJVQIFF-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46404;MM46404;CCNCC(C#N)=NNC;WQAVBFUCCRERLD-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46405;MM46405;CCN(C)C(C=O)C=O;XZWHLMOKRRTVGU-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46406;MM46406;C=CC(=NO)N(C=N)OC;FSMZCJNLMOUISG-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46407;MM46407;C=CCCN(O)C=NO;DSGHTVVEWANLTL-UHFFFAOYSA-N;130.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46408;MM46408;CC=CCNC(=NN)NO;MJRMQWJXYKNWQO-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46409;MM46409;C#CCON(C=N)CC#N;FBBVETRMJVHWHK-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46410;MM46410;C#CCN=C(CF)N(C)N;ZROZMMLAJGNDTF-UHFFFAOYSA-N;143.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46411;MM46411;CNCC(F)(C#N)CF;AVHPLLQBRGLPCN-UHFFFAOYSA-N;134.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46412;MM46412;CN(C=NO)NCC#N;JIHQJISRWPGVMM-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46413;MM46413;CC(C)C(C)NCC#N;KGZAXAHNQCWGBT-UHFFFAOYSA-N;126.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46414;MM46414;CN(C=NO)OCC#N;AVLBIOOXJSHNLR-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46415;MM46415;C#CCOC(C)C=NO;LTFIPEUJIWSDBN-UHFFFAOYSA-N;127.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46416;MM46416;C#CC(C=NN)N(C)C;MHVKEKKLMCLGFY-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46417;MM46417;C=CNC(=NC)C(=N)NO;PIPPQPOHZHCLHF-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46418;MM46418;C#CC(O)C(=N)NC=NO;SBNNUYYTCSJKDC-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46419;MM46419;C=CC1(C(=C)C)NC1C;KAPRUNGNIHEQMC-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46420;MM46420;CC(=NO)C(=CN)CCF;UZXQKSODZZNENB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46421;MM46421;C#CCON(C)C=NO;UTZXZTYRTKGKAN-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46422;MM46422;NC=CC(=O)CCCF;JAVWNYTTYJINSW-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46423;MM46423;CCONC(=NC)OC;MCVILFOPJMDFLM-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46424;MM46424;C#CC(OC=C)C(N)CO;KOLFJUNLUJLJGC-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46425;MM46425;CN(C)C(C=NO)=NC=N;KWONSSVRQJJTMH-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46426;MM46426;CC(C)COC(=O)C(=N)N;DXKWOSLBFMMKSS-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46427;MM46427;CCC(CO)C(=NO)NC;UISCPIOCRMRSOF-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46428;MM46428;C#CC(=O)ON(C)C=NC;HELDBWHDJVNHBN-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46429;MM46429;CC=CN(O)C(=NO)NN;AUYIAQQEMFSXAH-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46430;MM46430;CCOCC(=O)C=CN;JTLVANZFVJOJQS-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46431;MM46431;C=CNC(=O)OC(=N)NO;OCBCRSBDOJWFGQ-UHFFFAOYSA-N;145.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46432;MM46432;CNN=C(CO)N(O)C=N;YMKXMMGWXAANQH-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46433;MM46433;CN(O)C=NC(=NN)NN;HHGSWLAYZYFLJJ-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46434;MM46434;CC#CC(N)C(CO)CF;CKNWDZUNFSSNSQ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46435;MM46435;CN=CNN=C(CO)OC;CZLYJWLVIXHHCG-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46436;MM46436;C=NNC(=N)N(C=N)C=O;ZATJLZYCGRLYSN-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46437;MM46437;CC(C)(C)NC(C#N)CO;GDEAOZNTYIRTIZ-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46438;MM46438;C=C(N=CN)C(=O)NCC;SOMRWMAWDYGMMS-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46439;MM46439;NC=CC(=O)OCCF;QTZFQCSISWSUKO-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46440;MM46440;COCOC(=O)C=CN;TZFISNHGFUYVSA-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46441;MM46441;CCCCNC(C#N)CO;YUMHFQSSDLLERR-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46442;MM46442;C=C(C=NO)OCCO;FKCQYQMUNIGNDV-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46443;MM46443;C=CCCOC(=O)C(=N)N;URKCTIPRBQEIGI-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46444;MM46444;CCC=CN(O)C=NC=N;SQFFAXBBQYFJCD-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46445;MM46445;NC=CC(=O)CCC=O;KJDGHIQFDOLIES-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46446;MM46446;N#CCCC(=O)C=CN;HXEBHXHNHAAPKD-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46447;MM46447;N#CCCC(=O)C=CF;UNTIFSTZTYCLOV-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46448;MM46448;C=CCCC(=O)C=NO;YWJOYKAFQUVRCE-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46449;MM46449;CC=CC(=O)CNC=O;STQPSFZVQBTDDO-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46450;MM46450;N#CCCOC(=O)C(=N)N;WVJLUOPGWXZTNG-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46451;MM46451;CON=CN(N)CCCF;SUOOOUCOMQTANR-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46452;MM46452;C#CC(=N)N(C=N)C=CF;WBSMDBOKJBRFNV-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46453;MM46453;CC=CC(=O)NCC#N;UZEORGPKASIBNS-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46454;MM46454;N#CCNC(=O)C=CF;AMJJINQWODGHIU-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46455;MM46455;C#CC#CC(=NC)N(C)O;AHPGPXDZCTXZML-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46456;MM46456;CNN(C=O)C(=NN)NO;QDVXNWJCHPCWIW-UHFFFAOYSA-N;147.14;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46457;MM46457;CC=CC(=O)NN=CN;QSZFLIWNXSSQBJ-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46458;MM46458;NC=CC(=O)NN=CN;OEJNHLOYDJDVRX-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46459;MM46459;NC=NNC(=O)C=NN;MHWLWPFAMSHCEP-UHFFFAOYSA-N;129.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46460;MM46460;NC=NNC(=O)C=NO;GFTCSQBSEDDTQX-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46461;MM46461;N#CCOC(=O)C=CN;MWJCZESJHQZESO-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46462;MM46462;C#CC(=C)C(=NNC)NO;VASNCRBHEGBPDN-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46463;MM46463;N#CCOC(=O)C=NO;CYNVKEYXXKMFMS-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46464;MM46464;CC(=CCO)NC(C)=NN;IRECIDVILYXXKM-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46465;MM46465;CNN=C(C=CC#N)NO;BNEAARSCHZKNGS-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46466;MM46466;C#CCCC(=O)C=CN;OINVAIGWQFCJMN-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46467;MM46467;CN(N)C=NN=CNO;FGEVINVTIGKQAO-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46468;MM46468;CCON=C(COC)NC;CRVYCGDTMSGMQT-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46469;MM46469;C#CCNC(=O)C=CF;NSKCXVCIEWNXNE-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46470;MM46470;C=CC(=NOC=O)N(C)N;OJHMYDCUFMLDHM-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46471;MM46471;C#CCOC(=C)C=NO;IDJJUVLDUGBKNM-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46472;MM46472;C#CC#CC(C)(N)CCO;WPJHRSDNDFZLRF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46473;MM46473;CCCCON=CNNC;YKILYEXGLRTSCM-UHFFFAOYSA-N;145.21;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46474;MM46474;C#CC(=N)NOC=O;FCFSHPYUJFCACL-UHFFFAOYSA-N;112.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46475;MM46475;CC=NNC(C)C=NO;CEJAOPBLVJRJDX-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46476;MM46476;CC=C(OC)C(N)CCO;BZEVTQMYRPNUJN-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46477;MM46477;CC(C=NN)OC=NO;BWVUAFKBDKZKQT-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46478;MM46478;CCCC(C#N)NCCO;ZDUBGVSNFRNNDY-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46479;MM46479;CCNCC(F)CC=O;KQNLUJGRPFNPMA-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46480;MM46480;C=NN(C=N)C=CC;BKRSDXSJIXSBOZ-UHFFFAOYSA-N;111.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46481;MM46481;CC=NOC(=N)NCC=O;LRRMWYONLCRBSY-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46482;MM46482;CNC(C)(C=O)CC#N;CQSKCNZEGFZYEY-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46483;MM46483;CC=NN(C)CC=NO;GGUOCZJNVZRMOO-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46484;MM46484;CCN=CNN=CC(C)=O;BWPTWTDSQCRNOP-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46485;MM46485;CCC(N)(CC)C(=O)NC;XMUOIJNBOSCZEY-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46486;MM46486;CNNC(=NC=O)NC;YKVLGXCUKALOTQ-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46487;MM46487;CN(C=NN)OC=NO;KORIBUBINMMEEH-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46488;MM46488;CN(C=NO)OC=NN;SPCFIKBJTPJYDA-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46489;MM46489;CN(C=NO)OC=NO;DGDXSFDPOKREOH-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46490;MM46490;CC(C)C(C)(N)C(N)=O;YCPQUHCGFDFLSI-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N-prop-1-enylbut-2-enamide;MM01758;CC=CNC(=O)C=CC;YOCQIEIUEGPNRO-UHFFFAOYSA-N;125.17;1.21;76224126;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46491;MM46491;CC=CNC(=O)C=CN;CWRCICBAJBDMQX-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46492;MM46492;C#CC(F)(C=C)C(=N)N;YJWDJFQQDFSWTK-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46493;MM46493;C=NOC(C)=NNC=NC;ZMQBRFGBSBVZSU-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46494;MM46494;CC=CC(=O)NC=NN;PHDYDFGDJRFGIC-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46495;MM46495;CC(C=O)C(C)NCC#N;SXNFWXCSKWAPHC-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46496;MM46496;C#CC(=N)N=C(NN)OC;KKXZPNJWNSIZMH-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46497;MM46497;C=C(C=NO)NC=NO;LKDMJIFTTOOLDB-UHFFFAOYSA-N;129.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46498;MM46498;C=C(C)N(N)C(=NN)OC;CXYDUZLSKBJRDJ-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46499;MM46499;CC=NNC(=O)C=NN;ZGZSJKYKTYRTOH-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46500;MM46500;CC=NNC(=O)C=NO;KQSODRCQPXMMBJ-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46501;MM46501;NC=CC(=O)OC=NO;IHYLRMBTAUZDJH-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46502;MM46502;CCC(N)(CC)C(N)=O;CNLZYKYVAJKIEB-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46503;MM46503;C=C(C=NN)OC=NO;RAMRNSOVZXVUCJ-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46504;MM46504;C=C(C=NO)OC=NN;WAFUNNVNQTUJOE-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46505;MM46505;C=C(C=NO)OC=NO;KYAMVBFISWQBOV-UHFFFAOYSA-N;130.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46506;MM46506;CC=CN(N)C(=NN)OC;FEUQYUOMECYKRV-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46507;MM46507;O=C(C=NO)OC=NO;WQWRYFHYMYHAHN-UHFFFAOYSA-N;132.08;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46508;MM46508;CNC(=NN)OC=O;DRHQZLCTTSGOED-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46509;MM46509;C=CCNC(C=O)CC#N;GZNMXOZDSLSKRQ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46510;MM46510;CC=NOC(=O)C=NO;YYPMCDVOOGOKOV-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46511;MM46511;N=CNC(C=O)=CCC=O;JJIBSTRDQXBGJD-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46512;MM46512;COC(C#N)CN(C)C;KUHKRHNKCOMWKB-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46513;MM46513;C#CCNC=NC=NOC;VJFPYNRYINDVJG-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46514;MM46514;N#CC(=CN)N=CNC=N;SUFQHLXGLOWVAK-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46515;MM46515;CC#CC(O)CCCO;VMNDLHVIDUPEEV-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46516;MM46516;CN(N)C(C=NN)=NC=O;FSTRMGYPRRNPMI-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46517;MM46517;C=CCN(C)C=NOC;GGXSTIOIOZTXDU-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46518;MM46518;CON=C(C)N=CN(C)N;ONWZNQJSZDYWMM-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46519;MM46519;C=CCON=CN(N)CC;NCZOHCUUFDYKSB-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46520;MM46520;CC#CC(O)CCC#N;BNEKQYLQEORSHZ-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46521;MM46521;C=NNC(=NNC)N(C)C;NXVASKBQTWUAPI-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46522;MM46522;CC#CC(O)COC=O;TZOQQCJXFZGYOZ-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46523;MM46523;C#CCON=CN(N)CC;LLHRBAPOAWQIFE-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46524;MM46524;N=CN(O)C(C=CN)=NO;OZRFLHOFRYUJNN-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46525;MM46525;C#CC(C=C)NCCC#N;VTBHXXUHCSTUTR-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46526;MM46526;C=C(OC)C(C=CN)=NO;LSUUSMUTOJGTLG-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46527;MM46527;CC(C=O)(C=O)NN=CN;GUVPGUDAQLYCMP-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46528;MM46528;CC#CC(=O)NCCF;CHPXAHYGMHQDMJ-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46529;MM46529;C=C(C#CC)OCCO;JBDCUFUCKJBZKE-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46530;MM46530;CC#CC(=O)OCCO;FQKJHMBMYJZKOB-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46531;MM46531;N=CNC=NNC(=N)CN;DDYDXQHASRIZDN-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46532;MM46532;CC#CC(=O)COC=O;RHOHFEPUYYVZGC-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46533;MM46533;CN=C(NOC)OC;AOOCMYNRFVUMNJ-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46534;MM46534;N#CCN(C(=N)N)C(=N)N;ZGXDJUINJXTXKF-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46535;MM46535;NN=CC#CC=NN;AWJIHTUIZWIEAX-UHFFFAOYSA-N;110.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46536;MM46536;C=CCNC(=O)C#CC;ILBDFVRESQVNHT-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46537;MM46537;CC#CC(=O)NCC=O;GGPOLXQPHIHDKP-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46538;MM46538;CC#CC(=O)NCC#N;XFANZCRNKCZVKS-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46539;MM46539;CC#CC(=O)NN=CN;LUYFFIYBWJBNDC-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46540;MM46540;C#CC(N)(C#C)C(=C)F;UXLRIOYDDUZGFB-UHFFFAOYSA-N;123.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46541;MM46541;CC#CC(=O)NOC=O;PIOSGFRVMMAJNN-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46542;MM46542;CC#CC(=O)OCC#N;DTTQJNMTLRTNIT-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46543;MM46543;CCC(O)CC(=NO)NC;PKJJYYORBLOSHF-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46544;MM46544;CC#CC(=O)ONC=O;YVHULHHKSYXEKC-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46545;MM46545;CC(CF)=NN(C)C=N;UPUAZRGSXOTNLF-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46546;MM46546;COC(C)(C#N)ONC=N;PVMZYWJQRQFQRA-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46547;MM46547;CC#CC(O)CC=NO;GUWYCCHOSNQNCI-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46548;MM46548;CC#CC(=O)NC=CC;VWZOWMSBGJBFSX-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46549;MM46549;C#CCNC(=N)OC=O;WUJGCLFBAYEMAT-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46550;MM46550;CNC(=O)NC=N;JLCXMYGAGJVDKI-UHFFFAOYSA-N;101.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46551;MM46551;CON(C)C=NCC#N;AJSFEUZXWNNNNG-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46552;MM46552;N=CNC(=O)NC(=N)NN;JOYXBGWHIHUQNB-UHFFFAOYSA-N;144.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46553;MM46553;CC#CC(=O)NC=NO;OBIXOIQUAPGWNE-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46554;MM46554;CC#CC(=O)OC=NO;QFIZKOOCGPSRMI-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46555;MM46555;N=CN(C=N)C(=N)CF;ZEYHGLCELZFLKP-UHFFFAOYSA-N;130.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46556;MM46556;CCN(O)C(=NO)NN;AWAKBNOMOLXBST-UHFFFAOYSA-N;134.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46557;MM46557;C#CC(=N)N(C=N)C=N;LEYPYOJIYZPWMP-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46558;MM46558;C=CC(C#CC(C)N)=NO;GQGAXJXCEKHQFS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46559;MM46559;OCC=CC(O)CCF;WNCQFYRJIQVMCP-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46560;MM46560;N#CCC(O)C(=O)C(=N)N;AHCQAXIHNHGURE-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46561;MM46561;OCC=CC(F)CCO;MEKADZSXHAURAD-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46562;MM46562;COC=CC(O)CCO;RFGLWBFFMDCKCQ-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46563;MM46563;CC(O)C(=NN)N(O)C=N;XRJGXMMEWCOJQG-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46564;MM46564;C#CC(=O)NC(=N)N;IKZOSFHCMVCEFA-UHFFFAOYSA-N;111.1;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46565;MM46565;CNNC(=NN(C)C)OC;KCVIQLMUQMRMPE-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46566;MM46566;COC=CC(O)COC;YWYYNOBSMIKAJB-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46567;MM46567;C=C(C#N)C=NN(C)C=N;MTRRXLBKSZLMDU-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46568;MM46568;C#CC(O)(C#C)CNC;ONNYDJQWEZUYSP-UHFFFAOYSA-N;123.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46569;MM46569;N=CNC=NC=NNC=O;ZXZSZUIENCDRCX-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46570;MM46570;C#CC(O)C(F)C#CCN;WSJFTWDLAOHCDI-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46571;MM46571;C=NN=CC=NN(C)C=N;QNAPRIZVOOLWNI-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46572;MM46572;CCN(N)C(CF)=NOC;ZTYOWZTUEDSCRY-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46573;MM46573;NCC#CC(F)C(O)CF;RIQOBBBLLBMQBK-UHFFFAOYSA-N;149.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46574;MM46574;C#CC(CC#N)NCC=C;AJYVYBVGANRTOV-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46575;MM46575;CON=C(NO)NN(C)C;YHFFVPBXFKDLAQ-UHFFFAOYSA-N;148.17;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46576;MM46576;COC=C(C#N)C(=N)NO;YVUJIYULFQQLBH-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46577;MM46577;C=C(C)N(C=N)C(=N)C#N;AKOOEHIVWCJSTK-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46578;MM46578;CNN=CC=NOCCO;OLVOSQIVSMGAPE-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46579;MM46579;CCCC(CO)NCC#N;RDUXCHNQNLNVMS-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46580;MM46580;C#CC(C)(O)CN(C)C;LEEAJHMRRYCWQH-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46581;MM46581;COC(=O)C(=N)N;NCWIJHRUNYKYFA-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46582;MM46582;CNC(COC)=NOC;QVISWZKSCMJMDV-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46583;MM46583;CCC(N)C(=CF)NC=O;HFYLCKOBODGJPL-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46584;MM46584;CN(C)CC(C)(C#N)C=O;DKOYAEWDYVXSPR-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46585;MM46585;CC(N=CN(C)N)=NC=O;MPVHTWMWHKVXRI-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46586;MM46586;C#CC(=N)N(O)C(=N)N;YGHUHWXQFNKNIF-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46587;MM46587;N#CC=CC(O)CCF;RWQVQUAGPHNZJO-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46588;MM46588;CC(F)(C#CCN)CO;NWZXOGHYMJYRAF-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46589;MM46589;C=NN=CC(O)CCO;KQLQYRXBBFBYKW-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46590;MM46590;CN=CN(C=NC)C=NC;ZWIUHRMFYKKBDA-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46591;MM46591;C=NNC(=NOCC)NC;DCTNODBJXPGTRV-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46592;MM46592;C#CC(C=C)(CC#N)NC;MPAKOVRASBIAHK-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46593;MM46593;C=NN=CC(O)COC;AVGSUHMKNXWWEP-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46594;MM46594;C#CC(F)C=NN(C)C=N;WXUHXCCPQIGSKN-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46595;MM46595;C#CC(=C)C=NN(C)C=N;FAVYWWSHEJYKCU-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46596;MM46596;CC(C)(O)C(F)C#CCN;KNOPMBFRDUIJTP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46597;MM46597;CNC(C=NOC)CC#N;JBVOWUMRMVJFDQ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46598;MM46598;C=CCN1CC1;BBTRIQQWKACMRJ-UHFFFAOYSA-N;83.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46599;MM46599;CC(O)C(F)C#CCN;NJGZQZQZDXWRJB-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46600;MM46600;CCC(C#N)(CC)NC;KTYMOYWATLKXIY-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46601;MM46601;CC(=CC=O)N=C(N)CF;CEEZSHMWVIPIPR-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02780;MM02780;CN(CCF)N=CC#N;YZLFMCSMAGMKRE-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46602;MM46602;C#CC=CC(O)CCO;SXLSVZXRPPLEFD-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46603;MM46603;C=C(NC=O)NC(=N)OC;RTHJTZJAPFSERK-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46604;MM46604;C#CC(NCC)C(O)C=C;HDFUKIFSSZUSSL-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46605;MM46605;CCN(N)C=NC(=O)OC;FNESUVQNZKKZSS-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46606;MM46606;CCC(O)CCNCC#N;LXYSOLFFWDLWFW-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46607;MM46607;CC(C)(O)C(C#N)NC=N;JXPFKOBZYKMVRJ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46608;MM46608;O=CCC(O)C=CCF;KUVLPIPLOWBILT-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46609;MM46609;N#CCC(O)C=CCF;ZOHHJFSZERNVPY-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46610;MM46610;COC=CC(O)CC#N;AIUGLUFWLBNJON-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46611;MM46611;CCON=C(N)C=CC=O;ZHWYLWIHTTYZPX-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46612;MM46612;C=COC(C=NNC)=CN;FITFEVSXWDRURR-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46613;MM46613;NCC#CC(F)C(F)CO;VFWDPQRCQWGRGF-UHFFFAOYSA-N;149.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46614;MM46614;C#CCNC(C)C(O)C=C;PUJFQRJDFZHQHE-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46615;MM46615;C#CC(C=O)NC=NNC;CTQFMQGYHYSWEK-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46616;MM46616;COC(=NC=NC=N)NN;JXAIQZCDIZZPMO-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46617;MM46617;CC(C=CCF)NC=O;ZCTCRPZZGPDMSE-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46618;MM46618;C=C(C#N)CN(C)C;GNNBSMZPBFKDOE-UHFFFAOYSA-N;110.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46619;MM46619;CCC(=O)C(=N)NC;RHKYROCBGKBQFA-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46620;MM46620;C=C(C)C=NN(C)C=N;WDPJVHZXQCRZGL-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46621;MM46621;CON=CN=CN(C)N;PWWZVLQUOQXVOR-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46622;MM46622;C=C(C#N)N(C=N)OC;VGQHEXAUMDJADR-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46623;MM46623;C#CC(=NN)NC(=N)OC;RJRSUDNGCXWJSK-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46624;MM46624;C=NOCC(=NN)NN;VXYDASTUKGEAJG-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46625;MM46625;CCCC(N)C#CCO;NCGRFMVMONTDDV-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46626;MM46626;CC(=N)N=C(N)C#CC=O;BGUNFSTZGZJONN-UHFFFAOYSA-N;137.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46627;MM46627;C=CCC#CC(C)(N)CO;DJHRNUMDMGDXOV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46628;MM46628;C#CC(C)NCC(O)C=C;RZBHWMJUDASJCZ-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46629;MM46629;COCCON=CC=NN;APNJWQBRCOQUDF-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46630;MM46630;COC(=CN)C(C)=NN;ZNXIJHCWPGBIEB-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46631;MM46631;CNC=NOC=NOC;FACNWBFJJJMOIY-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46632;MM46632;C#CC(=CN)C(=N)NN=C;WADKDMNLQIVIMN-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46633;MM46633;CC=CN(O)C=N;QTJGFMFKCNFNAN-UHFFFAOYSA-N;100.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46634;MM46634;C=COC(=C)C(C)(N)CO;BDSQYGHBGRSNCB-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46635;MM46635;C#CCC(C)=NN(C)C=N;AMZPGZWYJSFDNN-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46636;MM46636;CNC(=NC=NN)NO;PDDJXPJMJSLOMI-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46637;MM46637;C#CC=NNC=NC=C;QIMLZDVUSBDXFD-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46638;MM46638;CNN=CC(C)(C=O)NC;XTVSPFGHIXMKAU-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46639;MM46639;C=CC=CC(C)CC=O;IVKIZOAXVCCEIG-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46640;MM46640;CC(C=CC#N)CC#N;JFABGIIMBCHTNG-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46641;MM46641;C=CCC(O)C=CC=O;GKHNIMASIUWZEH-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46642;MM46642;C=CC=CC(O)CC=O;KKJIQKGSCJVVQS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46643;MM46643;C=CC=CC(O)CC#N;IWGTWRSEBMNHOQ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46644;MM46644;N#CCC(O)C=CC=O;KHSRFGWBEBPYGV-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46645;MM46645;N#CC=CC(O)CC#N;UKJGXLPQGDRPGD-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46646;MM46646;C=NN=CC(O)CC=O;BPYLVZYEDZBADD-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46647;MM46647;C=NN=CC(O)CC#N;CNAJDKWVQZQFRO-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46648;MM46648;C=NN=CC(C)NC=O;WRCLUJRNVQLZLB-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46649;MM46649;CN(C=CC=O)CC#N;PXSBJCULVKONDD-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46650;MM46650;CN(C=NC=N)C(=N)NO;JHSRRASWWGWDCX-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46651;MM46651;COC=CC=NN(C)C=N;LDJXWFFWQUMLAI-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46652;MM46652;CN(C=N)N=CC=CC=O;YQYIBKBJXAJEJS-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46653;MM46653;C#CCNCC(O)CC;WVWQLZJLNMBVAI-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46654;MM46654;CN(C=N)N=CC=CC#N;JVABSZLGJMMZRV-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46655;MM46655;C#CC=CC=NN(C)C=N;RLMFMEBKANIXMC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46656;MM46656;C=CCN(O)C=NC=O;BAVFOBBRZZSSMR-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46657;MM46657;N=C(NO)OC(=O)NN;SDYRSBSTRIWWOI-UHFFFAOYSA-N;134.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46658;MM46658;N#CCN(O)C=NC=O;LETBOEVYDJIACK-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46659;MM46659;CNC(=NOC)C(C)OC;OOEYJOCSHRHQJC-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46660;MM46660;C=CNC(=O)NC(=N)C=C;CSLFJIYYQWQXEP-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46661;MM46661;C=NN=CN(O)CC#N;QUHHQPRIGBPOPE-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46662;MM46662;C#CC(C=CN)=NOCC;YXSLOCBYPLDBDS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46663;MM46663;CN(C=CC#N)NC=O;ROXWLKAWEMOBAE-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46664;MM46664;C#CC(=CF)N(C=N)OC;JLSXSPYMTUSPMI-UHFFFAOYSA-N;142.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46665;MM46665;C=CN(C=C)C(=N)ON=C;QBWDGJBBTHZQNJ-UHFFFAOYSA-N;139.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46666;MM46666;C=CC=NN(C)C=N;LRBPEDXDNVLLSH-UHFFFAOYSA-N;111.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46667;MM46667;N=C(CC(F)=CF)NO;RFFAHOACDKLYFO-UHFFFAOYSA-N;136.1;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46668;MM46668;CN(CC=O)N=CC#N;MTXIVSJKLWNNSB-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46669;MM46669;CN(CC#N)N=CC#N;DBEGYDOAUFFUQX-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46670;MM46670;C#CC=CC(O)CC=O;ZRTNGTAPVFDPNB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46671;MM46671;CC(C)(O)CN(C=N)C=N;SMFGKFWTGMPLQO-UHFFFAOYSA-N;143.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46672;MM46672;C=NN=CN=CN(C)N;HNLKNKMOQFYXLK-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46673;MM46673;CCC(C)(O)CC(N)CF;AROOTQNXWAEJIK-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46674;MM46674;C#CCC(O)C=CCO;KVVHMQLLBFGTFN-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46675;MM46675;C#CCC(O)C=COC;RRBGLWXOZLHMHL-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46676;MM46676;CN=C(NCC#N)OC;YOVLUZJZNHLPMB-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46677;MM46677;C#CC(C(O)C#N)N(C)C;YXABOCYCRABAIZ-UHFFFAOYSA-N;138.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46678;MM46678;CN(O)C(=NO)NN;KXDWKUVRAJLMDY-UHFFFAOYSA-N;120.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46679;MM46679;C=CC(F)=CC(CO)NC;HPLGBMYLODOVEW-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46680;MM46680;C#CC(C=C)(C=NN)NC;FYKWAIUAIGFCOO-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46681;MM46681;CC=CN(NC)C(=N)C=O;BRRNYGZSXJJGNC-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46682;MM46682;C#CCNCC(C)O;UZRDKTJZIUFFQP-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46683;MM46683;C#CC(C)(O)C(=NN)NN;SVAUSBFYAZOGCK-UHFFFAOYSA-N;142.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46684;MM46684;CON=CC(=CN)CC#N;VMBMWJBOZRDSLD-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46685;MM46685;C#CCC(O)C=CC=O;BNOQJQKAMRFIJB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46686;MM46686;C#CCC(O)C=NN=C;VTBBAKGCJNPAHQ-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46687;MM46687;C=NN(C=N)C(N)=CC#N;DJVYZQCEPYLTIX-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46688;MM46688;CC(C)=NN(C)C=N;URLMWCZZRWJCSF-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46689;MM46689;CNN(C=N)C(=N)C=O;CASUZZSUWSBFNV-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46690;MM46690;C#CCN(O)C=NC=O;VNTQWMVNSZUYPR-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46691;MM46691;C=CC=NN(C=C)C=N;DXDQGMDPRJQJGM-UHFFFAOYSA-N;123.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46692;MM46692;C#CCN(O)C=NN=C;JSVRJCKPZYOWDD-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46693;MM46693;C=NOC(=N)NC=CCF;KZURSSTWULBLSI-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46694;MM46694;C#CCN(C)N=CC#N;JVQPZUBWHCWGOO-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46695;MM46695;C#CC(C)C=NN(C)C=N;VHONTAHWCHDTOB-UHFFFAOYSA-N;137.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46696;MM46696;CCN(C=NC=N)CC#N;WADOXHYTQMHSOH-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46697;MM46697;O=C(C=CCF)CCO;KGZAXARXBDBBNG-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46698;MM46698;C=CCNCC(C#N)=CN;JMQPYKFAYFFPEI-UHFFFAOYSA-N;137.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46699;MM46699;COCCNCC=CCO;WPDRJAWMAPRZEM-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46700;MM46700;CC(F)(C#CCN)CCO;NMHBKUCKPGREAU-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46701;MM46701;CN(N=CC#N)C(=N)CO;ZBEZYVRTLXOKRN-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46702;MM46702;CNC(C)C(F)CC=O;RCFWGMTUNOHAOT-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46703;MM46703;C#CCC(=N)NN=CC#N;QYFRLZAMORFVAG-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46704;MM46704;CNC(C=CF)CC=O;SNJYWMIZALYPJV-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46705;MM46705;C#CC(C)(CC=O)NC;QWHXYBAVOSTWEX-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46706;MM46706;CN=C(OC)N(C)CC#N;GVQYOFLNQLFWPQ-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46707;MM46707;CONC(=O)C=CCF;NEHABVJCXCYBBX-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46708;MM46708;C=CN(OC)C(C)=NC=N;JIPYVZWUHAESQS-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46709;MM46709;N=CNC=NC=NNC=N;XMRMYNQHJCASIX-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46710;MM46710;CNC(C)(C)C(C)=O;KLAVOSFNFTWCFB-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46711;MM46711;C=CNC=NOC(C)C;XRAOAZRXQMVJBV-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46712;MM46712;C#CC(O)C(=NN)NN;GETGHXXWDVHLOU-UHFFFAOYSA-N;128.14;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46713;MM46713;C#CC(=O)N(C=C)C(=N)N;IKQSXCOBSNTYIX-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46714;MM46714;C=CC=CC(=O)CCO;CXRPIVYELMFCJU-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46715;MM46715;O=CC=CC(=O)CCO;ONEFJRXFVGHBMN-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46716;MM46716;CN(C=N)N=CCC#N;AWSJEVFSXFESEQ-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46717;MM46717;COCC(=O)C=CC=O;AKDGVGGBLREFRW-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46718;MM46718;COCC(=O)C=CC#N;GQXJRTXGDJQFPO-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46719;MM46719;C=NN=CC(=O)CCO;BCBMNEIIHOSXPC-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46720;MM46720;C#CCC=NN(C)C=N;SGLZPYPIGTVLTJ-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46721;MM46721;C=CC(C)(O)C(C#N)NC;KZYZHFXLZNDKLJ-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46722;MM46722;CC(C#CC=NN)=NN;YPRCGJUWKPHQPD-UHFFFAOYSA-N;124.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46723;MM46723;C=CN(C=NC=O)NC;MIOYUWONEAMPML-UHFFFAOYSA-N;127.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46724;MM46724;CC(F)(F)C(N)=CC=NN;ONPRMQHJWNNNLQ-UHFFFAOYSA-N;149.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46725;MM46725;C=CCNC(CO)=NOC;LOWIOOSQFMYVJI-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46726;MM46726;CC(C)N(O)C=NN;DITWLQAYLPSSCD-UHFFFAOYSA-N;117.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46727;MM46727;CONC(=O)C=CC#N;WGKNFMHPYSREBK-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46728;MM46728;CC(=N)N=CN(C)CC#N;PDEZKPVTSOEWDV-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46729;MM46729;C=NN=CC(=O)NOC;CCEREVMNSBECQB-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46730;MM46730;CNN=CN=CNC=N;RAJWNYWAYPJXKS-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46731;MM46731;COC=CNC(=N)OC=O;WZSZLFWOKMCQPK-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46732;MM46732;C#CCNC(C)(C#C)C=O;VNESLOOQXZJSDK-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16045;MM16045;O=CCC(=O)C=CCF;JIQZXSLYDZMSTE-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46733;MM46733;CNC=CC(=O)CC#N;HNAMRCYAKUFWCF-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02567;MM02567;COC=CC(=O)CC#N;GWKPASMUUQCTJC-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46734;MM46734;CNN=CC(=O)CC#N;XUVQYUTVNFUZFM-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46735;MM46735;C=C(C=CCO)NC=O;NYLSYQLPSNBHQG-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46736;MM46736;C#CC(F)=CN(C=N)OC;PXPIBMYXAGTSAA-UHFFFAOYSA-N;142.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46737;MM46737;C=C(C=COC)NC=O;CUYAVHPJPXJQQM-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46738;MM46738;C=NN=C(CF)N(C)NC;BGHAMYNSXXUZGU-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46739;MM46739;CN(C=N)N=CCCF;HYOJPXBZGPZMOU-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46740;MM46740;C=CNC(=O)C=COC;HIDNWRGJRUVSJU-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46741;MM46741;COC=CC(=O)NC=O;LLHGINLVMJZRPG-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46742;MM46742;C=NNC(=NOC)NCC;XOEWSAZSLOTXAQ-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46743;MM46743;CC=NNC(=NOC)NC;UQMZBYYUMMCQML-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46744;MM46744;C=CC(=NN)NC=N;JNSXHBYWNFBPSE-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46745;MM46745;C=NNC(=O)C=COC;BJTVNXLGZAGIAG-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46746;MM46746;C=CCC=NN(C)C=N;LVUKNLPYUYYOFF-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46747;MM46747;CN(C=N)C(N)=O;LTHKROKSCXJUNW-UHFFFAOYSA-N;101.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46748;MM46748;NCC#CC(F)CF;QNZFPUXONOGWOG-UHFFFAOYSA-N;119.11;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46749;MM46749;CNN=CC(=N)NC=O;QZVYLQUIIVWGEM-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46750;MM46750;N#CC#CCNCCF;WRJDXDKZXLDFHE-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46751;MM46751;C=CNC(=O)C=NOC;PTJKPCQRIRBFCA-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46752;MM46752;C#CC(=O)C(C#C)N(C)C;KWGAJMIZDKTFNK-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46753;MM46753;CC(C=O)N(C)CC=O;MIBNMZRKRARMET-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46754;MM46754;C=NNC(=O)C=NNC;HTCFOFDPPAQPAB-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46755;MM46755;C=NNC(=O)C=NOC;LNJOQUKVXBOVJT-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46756;MM46756;CCON(C)C(C)=NC=N;MEIZHISXUJESGJ-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46757;MM46757;C=CC(C)C=NN(C)C=N;KLIMADMQFMNQHW-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46758;MM46758;CNN=C(NN)OCOC;XFVWBSOYNBNEFL-UHFFFAOYSA-N;148.17;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46759;MM46759;C#CC(C)N(N)C(=N)OC;HTEKBOGTIQSOLZ-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46760;MM46760;CCN=CN(N)C=NC=O;BEIZHMYPXUROFI-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46761;MM46761;C=C(C=CC#N)CC=O;QRZVHTWMCPBLFI-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46762;MM46762;C=CCC(=O)C=CC#N;LEXUIAZYTVPHMW-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15748;MM15748;N#CC=CC(=O)CC#N;BCTKKTYELYCYPG-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46763;MM46763;CCN(N)C(C)=NOC=O;IYKXUGLWYRPXDG-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46764;MM46764;C=C(C=CC=O)NC=O;POKUXVSRDCKXDT-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46765;MM46765;C=C(C=CC#N)NC=O;ARIRZNIMFJVUPD-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46766;MM46766;C#CC=CN(C=N)OC=O;REXGIJBQKLNWRD-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46767;MM46767;C#CCC=NN(C=C)C=N;ZTTLCIPBXJFSOD-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46768;MM46768;C=CNC(=O)C=CC#N;NTPLYWOXDNANSX-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46769;MM46769;N#CC=CC(=O)NC=O;QFKXJPZLBAUJNH-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46770;MM46770;CCOC=NNCCNC;SODDRBGSAIUBBX-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46771;MM46771;C=NNC(=O)C=CC#N;ZWNUMFBPKDUGDD-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46772;MM46772;C=CNC=NOCCOC;RBTGWWNKONYZBE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46773;MM46773;C=NN=CC(=C)NC=O;CNAMJXCOLSMSJE-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46774;MM46774;CC=NN(C)C=N;NKJSDIJLAMCPTJ-UHFFFAOYSA-N;99.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46775;MM46775;CCC=NN(C)C=N;LAEMFCRXLLIPLL-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46776;MM46776;C=NN=CC(=N)NC=O;KEXGTNHBYWFPLG-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46777;MM46777;C=CNC(=O)C=NN=C;MIHONBMQLYQFPR-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46778;MM46778;C=NN=CC(=O)NC=O;WDUHOSGUZANSBZ-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15399;MM15399;C=NN=CC(=O)NN=C;HNRJRVNPGDPCCI-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46779;MM46779;COCC(=NOC)N(C)C;XOIPQUYIWYBDSE-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46780;MM46780;CNN=CC(N)C(F)=CF;NIURJVUEUUSZLR-UHFFFAOYSA-N;149.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46781;MM46781;C=CCN(C=N)C(=N)C=O;TXOUAMVUGHAXJZ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46782;MM46782;CCCON(C=N)CC#N;SAFXXDADWASYEH-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46783;MM46783;CNN=CNC(C=O)=CN;CRISYDMZVLSPLT-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46784;MM46784;C#CC=CC(=O)NC=C;IQAQSXZKVIHPPB-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46785;MM46785;CNCCNN=C(C)OC;BXQRBMTWPJIQRK-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46786;MM46786;C#CC=CC(=O)NC=O;KQOBEOWTKZIMQO-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46787;MM46787;CC=NOCC(=NN)NN;YLISCDDALOZWMG-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46788;MM46788;C#CC=CC(=O)NN=C;SPFHIGVFRXMPNC-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46789;MM46789;C=CC(=NN=CC)NN;GTTJYXOOQGYECN-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46790;MM46790;N=CN=CN(C=N)C=CF;KLAWOAPWIXEILA-UHFFFAOYSA-N;142.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46791;MM46791;CC=C(C#N)N(C=N)C=N;GTYAXYXNNVJVCQ-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46792;MM46792;C=NN=C(NN)C(=C)C;RYKXYSPRNXTPIN-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46793;MM46793;C=CC(NC=N)=C(F)C=O;MBBTZIVTNZRKGE-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46794;MM46794;CN=C(C)N=CNC=N;OVMXQOFNMBJDMG-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46795;MM46795;C=CCNC(=N)C(C)=O;IDCFUNBZVCUHKV-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46796;MM46796;CCN=C(C)N=CNC=N;DETQHDZPAXORRM-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46797;MM46797;CNN=CC(C)C=NO;XTNNQMFHWVLXID-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46798;MM46798;N#CC(=N)NC(=N)C=CF;HOSITXILQCZMDU-UHFFFAOYSA-N;140.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46799;MM46799;CC(C)C(=N)N=CNC=N;JOLRQGVJERCILL-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46800;MM46800;CC(=O)C(C=O)N(C)C;WZKCDJCOAYTYLK-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46801;MM46801;C=CN(O)C(=N)C(O)C#N;MQAQCVJLPUNHFA-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46802;MM46802;C=CN(C=N)N=CC;RYQTXIRXDFFHNG-UHFFFAOYSA-N;111.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46803;MM46803;CCNC(=O)NC=N;VNGLHXJMFYSIOP-UHFFFAOYSA-N;115.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46804;MM46804;CCCCNC(=O)NC=N;IPSJDNHYGNZSBY-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46805;MM46805;C=CN(N=C)C(=NO)NC;MESMTDQCLQPDBU-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46806;MM46806;C#CC(C)(CC(C)=O)NC;MSKVJIDTXTVVPD-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46807;MM46807;CN(N)C(CO)=NC=O;KDLJOKBEADWOMI-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46808;MM46808;C=NOCC(F)C#CCN;HREGLNJJRDJORQ-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46809;MM46809;CCNC(C#N)C(C)O;BWXNYXUONRJEAK-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46810;MM46810;CCN=CN(O)C=NO;NPGGHFRWKYABRV-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46811;MM46811;CC(CO)=NN=C(C)NN;JKDGEXVIGZAUDE-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46812;MM46812;CON=CN(O)C=NO;NWLQTDHDQRLDPV-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46813;MM46813;C=CNC=NOCC;KQIQFGZMKITLLH-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46814;MM46814;C=CCN(C=N)OC=O;CGNHWQZYZNGVMA-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46815;MM46815;O=CC=CC(O)C=CF;QOACNIJDESDQAA-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46816;MM46816;O=CC=CC(F)C=NO;DVJUMDZMVYXILO-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46817;MM46817;COCC(F)C#CCN;LYROVDXIJSMBAV-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46818;MM46818;C=CC(CC#CCN)=NO;VCTQVUAMBQVTSS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46819;MM46819;O=CC=CN(O)C=NO;JTIPJSBJADBCBP-UHFFFAOYSA-N;130.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46820;MM46820;N#CC=CN(O)C=NO;JWLXFOHSLVRBNJ-UHFFFAOYSA-N;127.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46821;MM46821;C=CC(=NOC)N(C)N;QJIIBXKCELETMD-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46822;MM46822;CC(N)=CC=NOCC#N;UOOXGFQEVGAOJS-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46823;MM46823;C#CCON=C(C)N(C)N;CVFSMDZZSCYHLT-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46824;MM46824;COCC(C=CN)=NOC;ATERIBSEEKMGOV-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46825;MM46825;CC=CN(O)C=NC=O;TZGOYCGDJSYYRQ-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46826;MM46826;C#CC(C#C)N=CN(C)N;LYCDIEFVILJRLI-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46827;MM46827;CCC(C#CCNC)=NO;YAWDKYWONJCXFW-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46828;MM46828;CC(=NN=CC(C)O)NN;VZRUSESTMZBYMH-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46829;MM46829;CNN=CN(O)CC(C)C;IVKBVMWWAOUCSU-UHFFFAOYSA-N;145.21;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46830;MM46830;N=CN=CN(O)C=NO;QHHAPNLDQUDUNB-UHFFFAOYSA-N;130.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46831;MM46831;C=NN=CN(C)C=NO;HLZNKASZTGLPDW-UHFFFAOYSA-N;128.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46832;MM46832;CCC(=NC=N)N(C)OC;OQPSQYUMNSQXLD-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46833;MM46833;C#CCNN=CN(O)CC;BKKVAINAEUMFKK-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46834;MM46834;N#CC=CC(=O)NC(=N)N;LZNUIGWDTPICRT-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46835;MM46835;C=NN=CN(O)C=NO;BYGUCDQSFXAIFM-UHFFFAOYSA-N;130.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46836;MM46836;C=CC(=NOCC)N(C)N;LVASEBRZQFFQOE-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46837;MM46837;CON=CON(C=N)C=N;XVHGHSKZFSJJBL-UHFFFAOYSA-N;144.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46838;MM46838;C=CN(C=N)N=CCCF;JQMXKOKLGQMBMR-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46839;MM46839;CON(C=N)C(=N)C=CF;SDKZLRTUDJMJRT-UHFFFAOYSA-N;145.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46840;MM46840;CN(C)C(=N)NN=CC#N;ZOTSSMKNJRQBLJ-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46841;MM46841;C=CC=NN(C)C=NO;DAZYUOGVLLLVPK-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46842;MM46842;CC(=NN=CCO)NN;HBZDDFVPAXCFLF-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46843;MM46843;C=C(C#N)C(=NC)N(C)O;MNMHIYOHXBEXOI-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46844;MM46844;C=COC=CC(=NN)NO;URYZFBCMKOJVPA-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46845;MM46845;C#CC=CN(O)C=NO;PTIVKCWDOINQRS-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46846;MM46846;C#CC(CC#CCO)NC;VNZSYGFLKDQUOV-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46847;MM46847;C#CC=NN(C)C=NO;FTSCDEAYTFBOPM-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46848;MM46848;COC=CC(=O)C=CN;YZFWCOIPCBNCHA-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46849;MM46849;O=C(C=CCO)C=NO;CDYDEGIKCIAXNU-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46850;MM46850;O=C(C=CCF)C=NO;BXDHTRKJWPNFME-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46851;MM46851;COC=CC(=O)C=NO;CSADVWNVKNFQJY-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46852;MM46852;CNCC(F)C#N;DNJFRMNTQVOGND-UHFFFAOYSA-N;102.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46853;MM46853;C=C(C=NO)C=NNC;VKLRPKHELILJRA-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46854;MM46854;CNN=CC(=O)C=NO;CYQILOZZVLRXOM-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46855;MM46855;N#CC=CC(=O)C=CN;CTSBKRCVBDFVJI-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46856;MM46856;N#CC=CC(=O)C=NO;UEZHBJPBPZORNX-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46857;MM46857;CCC(=O)C(=N)N(C)C;WZDSRRQDSLXBDJ-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46858;MM46858;C#CC=CC(=O)C=NO;UBUDBYCUWVRDAP-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46859;MM46859;CC#CC(C)C=CCO;QBSGBHRNCBMZQE-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46860;MM46860;C#CCN=CN(N)CC#C;SIGSZFIOZYIJLW-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46861;MM46861;CN=C(NN)C(N)=O;MZCCDAASFBYASK-UHFFFAOYSA-N;116.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46862;MM46862;C=CCON=C(C)N(C)N;GXJSQZVKGWHOOR-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46863;MM46863;CCC(C#N)NCCO;DPDIBGYIIRIBIO-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46864;MM46864;CC(=CC#N)C(=O)C(=N)N;YHCHVTXZTYOYHK-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46865;MM46865;CNC(C)=NOC(=O)OC;BKHTWLZDFAHTDJ-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46866;MM46866;CC#CC(=O)C=CC#N;HHTOVAUQJJDTCS-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46867;MM46867;CC(C#N)ON=CC=CN;SLNQNHHZKRQFQQ-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46868;MM46868;C=NN(CC)C(=N)CC=O;WEXWOVFESLOLRA-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46869;MM46869;C=CNC=NOC;XWDUYEGQENEVLK-UHFFFAOYSA-N;100.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46870;MM46870;CON(C=N)CC#N;ADUFALSAGNBECP-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46871;MM46871;C=CN(C=NN)C=NNC;RRAQEEGEKQUYQJ-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46872;MM46872;CCC#CC(O)CCO;DCMVGMDMUZHSLB-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46873;MM46873;OC(C#CCF)CCF;LKXZKCSBRXKRCJ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46874;MM46874;C#CC(CN(C)C)=NN;DFJAVOPGZWRSMR-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46875;MM46875;OCC#CC(F)CCF;ARIXLRUDWNBRMO-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46876;MM46876;CC=NN=CN(C)NC;OWCHSJXGJOKONT-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46877;MM46877;C#CC(C#N)(C#N)C(=N)N;VTKVSDKGZUTGBT-UHFFFAOYSA-N;132.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46878;MM46878;COCC(C)C#CCO;SOTFPXSLFKDXNJ-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46879;MM46879;C#CC(=NC=NOC)NN;DLQSXKRGNQBAMT-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46880;MM46880;C=NN(C)C(=N)CCF;UTHQPDBBDXTPBO-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46881;MM46881;CC(=NOC(C)C)N(C)N;YOJNMTNKLOOOMQ-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46882;MM46882;C=CC#CC(O)CCO;VAMRUOQLUSRWDG-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46883;MM46883;N#CC#CC(O)CCF;IFDBSXDPXBOHAL-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46884;MM46884;O=CC#CC(F)CCO;RRBLOJMLXWVAPQ-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46885;MM46885;N#CC#CC(F)CCO;LQAVRIJRQUASQN-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46886;MM46886;CNN(C)C=NN=C(C)C;YHSZWYIBVQIGHU-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46887;MM46887;CCOC=CC(=O)C(=N)N;KWBPKTMDGHBKAK-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46888;MM46888;C=NN=C(C)NN;UGJCYYUSIXDQFM-UHFFFAOYSA-N;100.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46889;MM46889;N#CC(=CNC=O)C(=N)N;XLSUVWYSONNVFD-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46890;MM46890;C=CC#CC(O)COC;DQTHRSJUXDCYOK-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46891;MM46891;COCC(O)C#CC#N;JVKOOVBRTAFFMB-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46892;MM46892;COCC(F)C#CC=O;OMXKTDUFWPXSKU-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46893;MM46893;C=CN(C)C=NC(=N)C#N;YOYKORANGKDUKR-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46894;MM46894;CNN(C)C=NN=COC;GUQWTKLHKFIUHL-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46895;MM46895;CC=NN=C(C)NN;CYRKXFLZOZTAQN-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46896;MM46896;C#CC#CC(O)CCO;VTFRDZFVCKUXNE-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46897;MM46897;C=CC=NN=CN(C)NC;XFHVXOCHXZXCTR-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46898;MM46898;C#CC#CC(O)COC;YJKVINFGJURVSR-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46899;MM46899;CC(C#CCO)CC#N;CAABQYAAZOSXTF-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46900;MM46900;CC=CN(C=N)C(=N)C#N;OLORFPUZGFXXOZ-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46901;MM46901;C=CCC(O)C#CCO;FEMXMSPIXAMMDF-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46902;MM46902;O=CCC(F)C#CCO;PVZHQLUZNPPYOU-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46903;MM46903;N#CCC(F)C#CCO;JMRVMSVUZDLVJH-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46904;MM46904;CC(C#CCF)NC=O;AVULWCYUOGOZJN-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46905;MM46905;CC(C#CCO)OC=O;PLZXIIVDIOKHQT-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46906;MM46906;CNCC#CCNC=O;YFNCYZYSDDEKIS-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46907;MM46907;CC(C#CC#N)CC#N;AQNCINNCJFEIHK-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46908;MM46908;C=CCC(O)C#CC=O;TUXMULYTKGQWRP-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46909;MM46909;C=CCC(O)C#CC#N;XWGMFJDTJRPNOZ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46910;MM46910;C=CC#CC(O)CC=O;YJTRTEYEPQWMRR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46911;MM46911;C=CC#CC(O)CC#N;DWYLHOFTXDOCTF-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46912;MM46912;O=CC#CC(O)CC=O;PTVOESFQMFVMNH-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46913;MM46913;N#CCC(O)C#CC=O;ZARXDSRKMKDXPR-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46914;MM46914;N#CC#CC(O)CC=O;VCFBKIFUFOSYFV-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46915;MM46915;N#CC#CC(O)CC#N;GRHWMGBNDLGYAK-UHFFFAOYSA-N;120.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46916;MM46916;C=CC#CC(F)CC=O;LYROYNPKVPIWMA-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46917;MM46917;N#CC#CC(F)CC#N;QMCHQVFMFBNRFB-UHFFFAOYSA-N;122.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46918;MM46918;CN(C=N)C(C#N)=NC=N;VQIHPVRVILSSJL-UHFFFAOYSA-N;137.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46919;MM46919;CC(C#CC#N)NC=O;WAGXWAMTWKXSSS-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46920;MM46920;C#CC#CC(O)CC=O;QLJBQYDEGRKHER-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46921;MM46921;C#CC#CC(O)CC#N;PZYGQROBLSEGEJ-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46922;MM46922;C#CC(=NOC)N(N)C=N;SBZHVVINGWZFLO-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46923;MM46923;COCC=NN=C(C)NN;YQNXNIPGTUQJEP-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46924;MM46924;COC(C)(C#CCN)CO;XRWFKMBOAUJKPH-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46925;MM46925;C=NN=C(C=C(C)N)NN;FINWRIYJUVKUDO-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46926;MM46926;C#CCC(O)C#CC=O;PVBSNOHJRYGRTA-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46927;MM46927;C#CC(=NN=C)N(N)C=N;IMHFUWDJNHFYKX-UHFFFAOYSA-N;137.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46928;MM46928;C=NN(C)C=N;XEIPKJWOFJQSJP-UHFFFAOYSA-N;85.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46929;MM46929;C=CN(C=N)N=C;IMZWEIWXCSPLQU-UHFFFAOYSA-N;97.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46930;MM46930;CON=C(C)N(C)N;JLYPMZYHXUERFU-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46931;MM46931;C=C(C#CCO)COC;YVBCLNRIVLEWIA-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46932;MM46932;COCC(=O)C#CCF;MVDOEAWNGOECTI-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46933;MM46933;C=CN(C)C=NOC;GANCKXHPHRTTID-UHFFFAOYSA-N;114.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46934;MM46934;CCNC(=O)C#CCF;JMVZZUORAZSAQI-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46935;MM46935;COC=CC(=O)C(=N)N;JHSGTZWGWNPACE-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46936;MM46936;C=C(C)CC(N)C(F)CO;PLZQQWXHPDDJAP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46937;MM46937;CONC(=O)C#CCF;PDTKSDFRYCLHSK-UHFFFAOYSA-N;131.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46938;MM46938;C=C(C#CC=O)CCO;YGEWRCDFVBAGGN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46939;MM46939;C=CC#CC(=O)CCO;OKPHCZIQMGJLSS-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46940;MM46940;O=CC#CC(=O)CCO;DMBICZWHABQTTN-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46941;MM46941;CCON=C(C)N(C)N;QHDUOLPEZIREJV-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46942;MM46942;C=C(C#CC=O)COC;UWKCVJQHEGQWGT-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46943;MM46943;C=COC(C=NN)=CN;DDVOBJGKHXGLLM-UHFFFAOYSA-N;127.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46944;MM46944;CCNC(=O)C#CC=O;AXZCBBHHMUUZQF-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46945;MM46945;CCNC(=O)C#CC#N;NMBPOFVSDDIKDK-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46946;MM46946;C#CC(F)(C=O)CN(C)C;YEEMMEZNFNQRMA-UHFFFAOYSA-N;143.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46947;MM46947;CCC(N)C#CCO;QGQUOTCRTIPDAG-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46948;MM46948;CC=NN=C(C=CN)NN;UNWXRVAGKHDYNI-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46949;MM46949;C#CC(F)(CC#N)C(=N)N;AWPHFNDQDZVXCJ-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46950;MM46950;CCN=C(C(C)F)N(C)N;ZRQZURBCNOEGLR-UHFFFAOYSA-N;147.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46951;MM46951;CNN=CC#CC(C)=NN;DQLIAFXRXARGEN-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46952;MM46952;C=CC#CC(=O)NOC;MYAMRVOYUOGVFJ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46953;MM46953;C#CC#CC(=O)CCO;LCPNCNMYBUMDJD-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46954;MM46954;CN=C(C)N(CC#N)OC;KVQFWPXUUNKBQN-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46955;MM46955;C#CC#CC(=O)NNC;LWJHPWGNQVESCY-UHFFFAOYSA-N;122.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46956;MM46956;CC=NOC(C#N)CNC;WJBWDMOGGWXHKU-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46957;MM46957;C=C(C#CCO)CC=O;IBIOUYCHPJCYKU-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46958;MM46958;C=C(C#CCO)CC#N;CKEPQYOKPGZRIA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46959;MM46959;C=CCC(=O)C#CCO;BAQMYADIWINCAO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46960;MM46960;O=CCC(=O)C#CCO;LDFJRWRJXRCXSM-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15618;MM15618;N#CCC(=O)C#CCF;HGNLJGGYKKCNDW-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46961;MM46961;CN=C(CF)NN;HVYZGELCAHLTJC-UHFFFAOYSA-N;105.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46962;MM46962;CC(N)(C#CCCF)CO;RASXQAJFYSFZRE-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46963;MM46963;CNCC(F)(F)CC#N;VUSCFYBGTINERQ-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46964;MM46964;N=CN=CN(C=N)C=N;XULJFANNBBQZQG-UHFFFAOYSA-N;125.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46965;MM46965;CNN=CC#CC=NN;QYKMQQKOJOZPAL-UHFFFAOYSA-N;124.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46966;MM46966;CCC#CC(=N)NC=O;DFNMZRRAPAXSKB-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46967;MM46967;C=CNC(=O)C#CCF;YIDHJLIEPFRUHG-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46968;MM46968;CCC#CC(=O)NC=O;GBHSYOUEHNQNLA-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46969;MM46969;O=CNC(=O)C#CCF;PEOZZGOKXKBIJR-UHFFFAOYSA-N;129.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46970;MM46970;C=CC(=NN=COC)NN;UJICMNNCCYTESN-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46971;MM46971;C=NNC(=O)C#CCF;HNVNPLCVFSBJKF-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46972;MM46972;C#CCN(N)C(=N)OCC;JFIHTGRZXZDJKF-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46973;MM46973;C=C(C#CCO)OC=O;RCZXMCATCVWUOO-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46974;MM46974;CC=NOC(=N)N(C)C=N;CXDVPPJPJBEMGM-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46975;MM46975;C=COC(=O)C#CCO;WGHDSKFSPCORNU-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46976;MM46976;C#CC(=O)ONC=NCC;GFPRNOPRAUIIKA-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46977;MM46977;C=NOC(=O)C#CCO;FCFAGTUAHGDFIX-UHFFFAOYSA-N;127.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46978;MM46978;C=NN=CN(NC)C(=C)C;FQVUJDORKHTEFP-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15619;MM15619;N#CCC(=O)C#CC=O;YUXIZSJMHPEBCR-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15589;MM15589;N#CC#CC(=O)CC#N;HZDAUIRDFUYZDD-UHFFFAOYSA-N;118.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46979;MM46979;C=NN=CC(=NC)N(C)N;ZWPDZLYGDQEEJX-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46980;MM46980;C=NOC(=N)N(C)C=N;MKIIIIOWAPPSIR-UHFFFAOYSA-N;128.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46981;MM46981;C#CCCNC=NOC;JFWOSDZKBCUMEJ-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46982;MM46982;C=CC#CC(=C)NC=O;STLCDSMEXCLUQT-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46983;MM46983;C=C(C#CC=O)NC=O;UWTGHRNCNAENGG-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46984;MM46984;CC#CC(C)(N)C(=O)OC;NNTLWSQYYXARJJ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46985;MM46985;C=COC(C=NN)=C(C)N;QTGSVLLXOCFWTA-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46986;MM46986;CNC(C)(C=O)C(C)C#N;LXNMYRAUIPHBRM-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46987;MM46987;CC(C=O)=CN=C(N)CF;JAZWKZSXCZBBDI-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46988;MM46988;C#CC=CN(N)C=NC=N;ZDEZUNJFKZDHJS-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46989;MM46989;C=CC#CC(=N)NC=O;UDONXFUSJLXZRY-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46990;MM46990;C=CC#CC(=O)NC=C;CQKZSQJPWGJALU-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46991;MM46991;C=CNC(=O)C#CC=O;ICMIMIOOMDGNSL-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46992;MM46992;C=CNC(=O)C#CC#N;NDBCFKBHZUGCHK-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46993;MM46993;CCC#CC(C)(N)CO;PONICJXUPOWLKW-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46994;MM46994;C=CC#CC(=O)NC=O;NYHRCSVCLMFESQ-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46995;MM46995;O=CC#CC(=O)NC=O;VFGQSGLNQZGTAN-UHFFFAOYSA-N;125.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46996;MM46996;N#CC#CC(=O)NC=O;TUZTZDQNJPFJCI-UHFFFAOYSA-N;122.08;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46997;MM46997;CCCC#CC(C)(N)CO;RFQFGXPQRPANSR-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46998;MM46998;CC=C(C)NC(=NN)NO;CMTVWPIMRSYWGR-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM46999;MM46999;CN=C(C=NN)N(C)OC;HEOQCNYAYUPOFG-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01791;MM01791;C=CC#CC(=O)NN=C;VXHAYARTCIURBM-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47000;MM47000;C=NNC(=O)C#CC#N;TXKPLAANBYMVAB-UHFFFAOYSA-N;121.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47001;MM47001;C=C(C#CC=O)OC=O;XYXWSAZHMQFTBO-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47002;MM47002;C=COC(=O)C#CC=O;DZDOXNYBECIVFR-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47003;MM47003;COC(=NC=N)N(N)C=N;PLDMVBASWQZNFX-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15724;MM15724;C#CC#CC(=O)CC#N;TYUKKHAOEWBRNW-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47004;MM47004;C=CN(C=N)C(C#N)=NC;XWGKNGVOTLTTPY-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47005;MM47005;C#CC#CC(=C)NC=O;DOIVIAFIPRKZIE-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47006;MM47006;CN(N)C=NC=NC=O;ZKSUMWWHPCXGAQ-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47007;MM47007;C#CC(F)=C(F)C(=N)N;RXVRZWABMZSTBO-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47008;MM47008;C#CC#CC(=N)NC=O;JKFFILDUGBJIRZ-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47009;MM47009;C#CC#CC(=O)NC=C;CYYBGCRYWJBMAQ-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47010;MM47010;C#CC(=CF)C(N)C(C)O;BXIXNPHWQPFXEM-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47011;MM47011;C#CC#CC(=O)NC=O;WUSFBKDKQLDLEG-UHFFFAOYSA-N;121.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47012;MM47012;CON=C(C=CN)C=NO;HGKTVATVJRDYEY-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47013;MM47013;C#CC#CC(=O)NN=C;GGWDMNJDBMURSU-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47014;MM47014;C#CCN(N)C(=N)OC;ZFURFUWUKGPKAL-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47015;MM47015;C#CCC(=O)C#CCO;AWWWUUCOYQNQON-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15590;MM15590;C#CCC(=O)C#CC#N;NTGLMEZMVRJEPM-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47016;MM47016;C#CC#CC(=C)CC#C;UZHKZVBIZFKNJK-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47017;MM47017;C=NOC(=N)NCC(=C)C;CCMNMJJVKISMCT-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47018;MM47018;C=CN(NC)C(=O)C(=N)N;YFOMOKHIDTWMQX-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47019;MM47019;C=CN(C=C)C(=O)C(=N)N;KMPKONRJDHYYNK-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47020;MM47020;CN(N)C(C=CF)=NC=N;GUCASPSIROXRMT-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47021;MM47021;CC=CC(O)C#CCO;TUQRKIBWHMIDJR-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47022;MM47022;CNCC#CCNC(N)=O;MTPGYQAJAGWMQQ-UHFFFAOYSA-N;141.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47023;MM47023;OCC#CC(F)C=NO;MQWOEPMUDYVYQK-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47024;MM47024;CC=CC(C)C#CC#N;PGDQEXNAFKOGAF-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47025;MM47025;O=CC#CC(O)C=CF;NNJALHMPLXVDOY-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47026;MM47026;C=CC#CC(O)C=NO;NVCRCBAJCLROFU-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47027;MM47027;O=CC#CC(F)C=NO;KHTUSSREFDCBNC-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47028;MM47028;CNN=CC(N)C=NNC;SGPOHQLDUHTDES-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47029;MM47029;C=C(CO)C(F)C(C)N;BNEPNRIAJKWRRU-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47030;MM47030;N=CN(C=N)C=NO;VBTVFDYZQQNYLG-UHFFFAOYSA-N;114.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47031;MM47031;C=C(C#CCO)C=NO;DEDRFJFXVJGIMY-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47032;MM47032;NC=CC(=O)C#CC=O;NEHWXXYPYIPETK-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47033;MM47033;N#CC#CC(=O)C=CN;MHQLRSZQVUUNTJ-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47034;MM47034;C=C(C#CC=O)C=NO;VCJZXPKIDCSNOJ-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47035;MM47035;C=C(C#CC#N)C=NO;CAIGTKDDZUYQCY-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47036;MM47036;C#CC#CC(=O)C=CN;WVSMCXADLOIODF-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47037;MM47037;C#CC(=O)ONC=NC=C;JBMKWRKYLNBEHI-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47038;MM47038;C#CCNC(CO)CC=C;OXQXOOVXABMVCU-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47039;MM47039;C=C(CO)CN(C)CC;WTIVZHASNVURJT-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47040;MM47040;CC#CC(O)C#CCO;YSAKCRPTBYFFRD-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47041;MM47041;CC#CC(O)C#CC=O;NHNKQKYAOJYTBU-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47042;MM47042;C=C(C#CC)C#CC#N;NEPHCACFPPUGDR-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47043;MM47043;CC#CC(=O)C#CC#N;ZSHSWVDMDYJECQ-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47044;MM47044;C#CC#CC(=C)C#CC;LBUNBCAVFVHAEP-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47045;MM47045;C=NN=C(OC)N(C)C=N;HJPNSOUQOVWGNT-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47046;MM47046;C#CC(=NO)C(C)=C(C)N;FHLDZQRRKRJBTD-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47047;MM47047;C#CC(=C(F)F)N(N)C=N;RJMNXVGCPFSQCS-UHFFFAOYSA-N;145.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47048;MM47048;N#CC(C#N)C(=O)C(=N)N;RLPZQMZMDUATGP-UHFFFAOYSA-N;136.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47049;MM47049;CC(=CCO)CCCO;UTVMWVAPTXWMQK-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47050;MM47050;C=C(CC=O)CC(N)=NO;BIIYIEZTHPBGOG-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47051;MM47051;OCC=C(F)CCCO;QXECUUMTTRARKN-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47052;MM47052;N#CC(CF)CNCCF;IFOBPNNOZKWBKT-UHFFFAOYSA-N;148.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47053;MM47053;N#CCCNC(=O)NC=N;PRQLWXSLVVKUOD-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47054;MM47054;C=CN(C=NOCC)NC;ZUMMHAQTVATODI-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47055;MM47055;C=C(C=O)N(C=N)OC;QQMPBMZWJLVVTL-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47056;MM47056;COC(=CF)N=CNN;IRDLTMIAFLPVHO-UHFFFAOYSA-N;133.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47057;MM47057;C=NN=CC(=NC)NN;YRTIZGCCDGLAEC-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47058;MM47058;C=NN=C(ON=C)C(=N)N;FKCUVVPCJDZCED-UHFFFAOYSA-N;141.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47059;MM47059;CC(C#CC#N)NCCF;XIMFUFISIYKCDE-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47060;MM47060;CC(C)CNC(=O)NC=N;YTXTZSIUTLCVLR-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47061;MM47061;CC(CF)NCC#CC#N;MITMOLOHZPUKMK-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47062;MM47062;CC#CC(O)C(=NN)NN;SNYCUPWWKVQCLN-UHFFFAOYSA-N;142.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47063;MM47063;CC(=CCO)OCCO;PEYOYBGKJRCHKZ-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47064;MM47064;COC=C(C)OCCO;UKWXZWRPWXBMCG-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47065;MM47065;C=NN=COC(=NC)NN;YTJYPSCQEOTOPJ-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47066;MM47066;N#CCCC(F)=CCO;IBFAUIKTLCCDKC-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47067;MM47067;CN=C(N)C(C)(F)C=O;RCGFNPOXNPHCHD-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47068;MM47068;O=CNCC(F)=CCF;VLHJJQWKOBWMSQ-UHFFFAOYSA-N;135.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47069;MM47069;CC(=O)C(=N)C=C(C)NO;VMZNAUIITUBFFX-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47070;MM47070;CC(C)(O)C(=O)C(=N)N;SAICOZFGTFUCQP-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47071;MM47071;CC(=CCO)COC=O;QMHGOLDTWYQCRG-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47072;MM47072;N#CCOC(=N)N(O)C=N;PXERXBWRFJKLPB-UHFFFAOYSA-N;142.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47073;MM47073;N#CC=CNC=NCCO;DJNOYUVCNXBCRK-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47074;MM47074;CON=C(NN)C(C)(C)O;NCMATYIZVQHZAA-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47075;MM47075;CC(=CCO)OCC=O;OXVXLTSZNNMAPD-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47076;MM47076;CC(=CCO)OCC#N;SHWIVOCLFGODPN-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47077;MM47077;COC=C(C)OCC=O;LJHARLNBHBXMSF-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47078;MM47078;CON=C(NN)C(C)O;DDHCBQKVHHKFIP-UHFFFAOYSA-N;133.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47079;MM47079;C#CC(CNC)C(F)C#N;ZTANSKJPDIFIKI-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47080;MM47080;C#CCOC(C)=CCO;MYSRKKVKTLOPRO-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47081;MM47081;CON=C(CO)NN;GPQXFKKUOUBQBI-UHFFFAOYSA-N;119.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47082;MM47082;NC(=CC=O)CCCF;WUWKQXVYDWESPA-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47083;MM47083;CCOCC(N)=CC=O;KEGCZHDUXYAOOC-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47084;MM47084;COC(=CCO)C(C)N;VUGJVDGZKRDQKL-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47085;MM47085;CCNN=C(C)NC=O;JQSAHTMIJIDVMI-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47086;MM47086;CC(=CC=O)OCCO;UNSYJRAKLQUGFS-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47087;MM47087;CC(=CC#N)OCCO;HMSXLWQMAIDIRI-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47088;MM47088;COCOC(N)=CC=O;DTBKPNWSYWGJGO-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47089;MM47089;C=NN=C(C)OCCO;GQAXLPPIMCRHCI-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47090;MM47090;CC(=CC#N)CCC#N;YOOFAKVPCAPJIQ-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47091;MM47091;N#CCCC(N)=CC=O;SXZIKEZQMCCSRU-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47092;MM47092;C=CC(C)(O)CNCC#N;DZLNZTBQTNLIFZ-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47093;MM47093;CC(=CC#N)CNC=O;NLYNAYSSQPAOGY-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47094;MM47094;N#CC=C(F)CNC=O;XGDREKWCABEUGX-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47095;MM47095;C=NN=C(NC)N(N)C=O;YNOFTEPNSXSLEN-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47096;MM47096;CCC(CO)NCC#N;RXBHYFAUVMVECP-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47097;MM47097;C=COCC(N)=CC=O;CZAXNIICQYALBU-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47098;MM47098;CC(=CC=O)NCC=O;BBDIDDDKRBQIHO-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47099;MM47099;CC(=CC=O)NCC#N;PNCBLZHCWZXTLF-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47100;MM47100;N#CCNC(N)=CC=O;AESDQABPAUKMAT-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47101;MM47101;C=NNC(=NOC)NC;XJHLGCNRHONJHN-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47102;MM47102;N=C(N)C(=O)CF;OSCBKCDKUHBUMS-UHFFFAOYSA-N;104.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47103;MM47103;CC(=CC#N)NNC=O;CGBSUCPLPVYALS-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47104;MM47104;N#CC=C(N)NNC=O;KSWQDYPPFABCJA-UHFFFAOYSA-N;126.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47105;MM47105;CCN(C=NNC)OC;JRIDLANZSSAGCG-UHFFFAOYSA-N;131.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47106;MM47106;C#CC#CC(=CCO)CN;MBSPXFDBFSBTLW-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47107;MM47107;CNN=CN(N)C(=N)OC;DVPVGHMWWPGRPZ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47108;MM47108;COC=NN=C(C)NN;LSWKUUMEXJMEGK-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47109;MM47109;C=CNC(C=CCO)=NN;ZNZKQFDPSXYARD-UHFFFAOYSA-N;141.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47110;MM47110;CC(=NNC=O)NC=O;ZJHZVZLDHFADGH-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47111;MM47111;C=NNC(C)=NNC=O;IOAPHBIEJASLSK-UHFFFAOYSA-N;128.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47112;MM47112;C=COC=NN=C(C)NN;RMHIEPTWQLSTPN-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47113;MM47113;CC(=CC=O)OCC=O;SHBJGOPTXLHWPH-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47114;MM47114;CC(=CC#N)OCC#N;YPEPQEKTULJAQU-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47115;MM47115;NC(=CC=O)OCC=O;IGBJEIYTHRZFEE-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47116;MM47116;N#CCOC(N)=CC=O;HOXZBNJJZIUOHE-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47117;MM47117;CC(C)C#CC(N)CCO;BDMNYITWZMBNHR-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47118;MM47118;C=NN=C(C)OCC#N;BDDPRAYLRGHHMB-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47119;MM47119;C=NN=C(C)ONC=O;BJVAISLPQGLDTR-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47120;MM47120;C#CCN=C(C)NC=O;RXGYVLQLKUJYPI-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47121;MM47121;C#CCOC(C)=CC#N;JSZYHQCHAVTSJT-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47122;MM47122;C#CCOC(N)=CC=O;DYHHEZPBMSEQDL-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47123;MM47123;C#CC=C(C)OCCO;IESQVLCJUNGWJN-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47124;MM47124;C#CC=C(C)OCC#N;WCECJAWRLTZBOI-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47125;MM47125;CC(=CCF)CC=NO;QTXNWLUFYIZLTE-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47126;MM47126;OCC=C(F)CC=NO;AWWGQMPSWNEYCG-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47127;MM47127;CNN=C(C)CC=NO;AOAMYJDWMKOTHK-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47128;MM47128;C=NN=C(C=COC)NN;NGUACOCWELGFMS-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47129;MM47129;C#CC(C)=NN=C(C)NN;MBPVWIFIAKXTSC-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47130;MM47130;C=NN=C(NN)C(C)C;GXQZTRJMBSNHBT-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47131;MM47131;CC=CC(F)C(N)CCO;WEKYTEVKELMPHO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47132;MM47132;C#CC(=O)C(=N)N(C)CC;YKKUXUUSPLTWFM-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47133;MM47133;C=NN=C(NN)C(C)=CN;JYDMXHPXLRSAGV-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47134;MM47134;CC(=CCO)OC=NO;WUKJDOUPBWDJNW-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01888;MM01888;COC=C(C)OC=NO;NNTWMUYBHMKJQJ-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47135;MM47135;CN(N)C=NC(=O)C(=N)N;DGOBHDJKROAJJX-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47136;MM47136;CON=C(C)OC=NO;DZUOWYGDQYKSBL-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47137;MM47137;N#CC=C(N)CC=NO;VKUGXMGCMZBULV-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47138;MM47138;CCNCC(F)C(C)C=O;OXHXGRWKJXBDKP-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47139;MM47139;C=NNCC(=N)NN=C;BUMGYKRUYZSSJL-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47140;MM47140;C=NOC(=NCCF)NC;LVQLKOLTDNGTHW-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47141;MM47141;CC(=NC=CF)NC=O;YUQARPQXBCLPAO-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47142;MM47142;C=CN=CNC(=N)ON=C;VOHHZFHQUFBLAG-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47143;MM47143;NC(=CC=O)OC=CF;TUVGRNSODKJXQH-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47144;MM47144;CC(=CC#N)OC=NO;IUAMLPLCJDGPKR-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47145;MM47145;C=NN=C(C)OC=NO;PUDCFDCTGBANBD-UHFFFAOYSA-N;129.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47146;MM47146;CC(CNC=O)N(C)C;COEXHHKQQGTUSB-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15451;MM15451;C#CC=C(C)OC=NO;JQZRNGGSVJJZSP-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47147;MM47147;CC=C(C(N)=O)C(C)N;OUNKIBSFAJZIAQ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47148;MM47148;CNN=C(NC=N)NOC;UBBRTCKQGRLKQJ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47149;MM47149;CC(C=O)C(C=CN)=NO;AZRURXUNKIVBOE-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47150;MM47150;CN(N)C(CO)=NNC=O;MOXHBQUUKQAWLZ-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47151;MM47151;C=CN(N)C=NC(=O)NN;YNFQZOGFXFAJCJ-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47152;MM47152;CCOC(C#N)C(=N)NC;CYROMUCJSJSKFG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47153;MM47153;C#CCNC=CC=NO;XCGPTGPLILKQPW-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47154;MM47154;CC(C)NC(=O)NC=N;GDSPTQPVECUABG-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47155;MM47155;COC=CC(N)=CC=O;RKAWRWFPNXRGGC-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47156;MM47156;CC(C=CC#N)=CC#N;RIMIOHDYJFNKSS-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47157;MM47157;N#CC=CC(N)=CC=O;MTWPEZWZXPZFJH-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47158;MM47158;CCC(C)NC(=O)NC=N;UONXBPHUZGUPHK-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47159;MM47159;C#CCN(C)CC(O)C#N;OTUCCLUOUOIOMZ-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47160;MM47160;CCCNCC(C)=O;QZMSIFNIJWDHBC-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47161;MM47161;COC=C(F)C#CCO;OKMKUPLWQZKRDV-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47162;MM47162;CCC(C)(O)C(=O)C(=N)N;DEQFEAHEAHEEMQ-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47163;MM47163;CC(C#CC=O)=CCO;RPEGMNQYFBMCIZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47164;MM47164;O=CC#CC(F)=CCO;DDLVDBRVMZOLOA-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47165;MM47165;COC=C(F)C#CC=O;DQCFADDIHWINOZ-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47166;MM47166;CCON=C(NN)C(C)O;KHFMSBLCNMYSQR-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47167;MM47167;CC(C#CC#N)=CC#N;JUAZUYDLAMXIKS-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47168;MM47168;C=CC#CC(N)=CC=O;YOCBLUAYZIMGRG-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47169;MM47169;NC(C#CC=O)=CC=O;KZWQKLFGJIGYOB-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47170;MM47170;N#CC#CC(N)=CC=O;ZXRJJHJQKCJXQY-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47171;MM47171;C#CC#CC(C)=CC=C;KENJHPWGTHBOSI-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47172;MM47172;CCCON=C(CO)NN;GMJXJQQXJYWYNN-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47173;MM47173;N#CC(=O)OC(=N)NO;GZZVBAKPDDFGFG-UHFFFAOYSA-N;129.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47174;MM47174;C=CC(C)(C=O)NN=CN;HBQBBQBDDLCRMJ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47175;MM47175;OCCC=C(F)CCO;MHWGVLBOIYTPGD-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47176;MM47176;N#CC=CNN=CNC=N;OYGJZTXRALDORY-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47177;MM47177;C=NNC(=N)N=CNC=N;QKVVEFSUSBXPKM-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47178;MM47178;CC(=O)C(C)CN(C)C;SDABKFFSTRDBBD-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47179;MM47179;O=CNC=C(F)CCF;WCHSTGAIKMDLIH-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47180;MM47180;COCC(F)=CNC=O;ZZLRJJZHYCCWBU-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47181;MM47181;O=COC=C(F)CCO;MADBSIOKGHHYOW-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47182;MM47182;CNCCON=CCF;HDECSWKCDZKYDE-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47183;MM47183;C=CCCN(O)C=NNC;VMTNSCINNGKDCG-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47184;MM47184;COCC(C)=NNC=O;FMDAWLJSWUOSEF-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47185;MM47185;CCOC(C#N)ONC=N;BXPALENKBWYGMI-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47186;MM47186;CCOC(C)=NNC=O;HIKKWMQZIQVMLX-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47187;MM47187;CC(=CCCO)CC=O;MFDRMBCUSHRXTI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47188;MM47188;C=C(N=CN)C(=O)CC;BYBLCWFTZLATBP-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47189;MM47189;CCN(O)C=NNCC#N;SXASIXLMYKDTNE-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47190;MM47190;C#CCC(C)(F)C(=N)NO;MNJHEHXHTBIBEM-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47191;MM47191;C=C(CN)OC=CC=NO;HHJJAPMOSPISPI-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47192;MM47192;C=CCC(C)=CCC=O;JYEFPWADTLIYDZ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47193;MM47193;CC(=CCC#N)CC#N;LRHJVQIZZFMIPA-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47194;MM47194;N#CCC=C(F)CC#N;YFCOUOIQJSLOLP-UHFFFAOYSA-N;124.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47195;MM47195;CC(=CNC=O)CC=O;VDFYGEXGYRAWCJ-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47196;MM47196;CC(=CNC=O)CC#N;ZCGSWFQEJYXDRQ-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47197;MM47197;CNN=C(C=COC)NO;DSVFFVOWYFLENJ-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47198;MM47198;N#CCC(F)=CNC=O;HHPSJRAMLWNHAY-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47199;MM47199;C=COC(C)=CNC=O;FFCMTZBODHDANH-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47200;MM47200;CC(=CNC=O)OC=O;JGVMKSMNKYGFPB-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47201;MM47201;CC(=N)N=CN(C)O;YCZZJQXBRNPCGR-UHFFFAOYSA-N;115.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47202;MM47202;C=C(C=NO)C(F)CN;IVWNZNHHVBQUIU-UHFFFAOYSA-N;132.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47203;MM47203;NC(=CC=O)NN=CNO;YFESLXAQYQGDPL-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47204;MM47204;CC(CC#N)=NNC=O;LHQVKLCIWPZNLZ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47205;MM47205;CNCC#CC(C)=NO;RMVZIBKOGPGDSY-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02782;MM02782;CC(CC#N)=NOC=O;YHAIRVOEXQWASD-UHFFFAOYSA-N;126.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47206;MM47206;CC(N)(C=CC=NO)CF;YCKWKBSVVRMQQG-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47207;MM47207;CNC(=NN)NC(C)=NO;UTRPYLMCHUNMJI-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47208;MM47208;C=NN(C)C(=NOC)NC;ZOKILHOEPIPWMZ-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47209;MM47209;C=COC(C)=NNC=O;CVBJQVPKNLTWIT-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47210;MM47210;C=CC(CNC)C(=O)C#N;CQOYHNRZZQGEJM-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47211;MM47211;CC(C#N)NC(C)CC=O;LAMOWBFHTLFYJH-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47212;MM47212;C#CC(N)=NC(=N)C(C)=O;LYHPWQVZVFVVGL-UHFFFAOYSA-N;137.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47213;MM47213;C#CCC(F)=CNC=O;WUZSPKJGXZORAR-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47214;MM47214;C=CC(O)C(=N)N(C)C=N;NDERNFMVUHORNT-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47215;MM47215;C=CC(O)C(C)(N)C#CC;VEOJEVYJNRYKIR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47216;MM47216;CC(=CC=NO)CCO;SQJQKWNAWPRALF-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47217;MM47217;CC(=CC=NO)CCF;LXTARMUTGMHZNQ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47218;MM47218;OCCC(F)=CC=NO;ASLRYPYWKRXFCU-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47219;MM47219;C#CCC(F)(CO)C(C)N;WUAVGPZSFDKYQO-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47220;MM47220;N=CN(C=NN)C=NN;AMSAQKMYGCHWRN-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01773;MM01773;CC=NN=C(C)CCO;XYHJJBVCQLCOOQ-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47221;MM47221;CC(=CC=NO)CC=O;HRSGPNYIJFVKIV-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47222;MM47222;CN=C(NO)NC(=N)CO;AZQMZXIUNPKXTJ-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47223;MM47223;N#CCC(N)=CC=NO;MXUHUXJSEQFALH-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47224;MM47224;CON=CN=C(NN)OC;BDFJLPPSBGQLAK-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47225;MM47225;C=NN=CN=C(NN)OC;HEUGDUPHCDDVPE-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47226;MM47226;NC(=CC=NO)OC=O;IVZRZNFWSPRPRW-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47227;MM47227;N#CCC(=N)NOC=O;KLRQNSHSVALBPS-UHFFFAOYSA-N;127.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47228;MM47228;C=CNC(C)=NC=NO;HSNZXOFXRRZQEH-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47229;MM47229;CCCN=C(CO)NNC;PQIFSEGEUHLCRW-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47230;MM47230;CC=C(C#N)NC=NNC;LCKLFNIORMONEE-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47231;MM47231;C=NN=C(CCOC)NN;PYPOFANFCHHCAW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47232;MM47232;N=CNN=C(CO)C(=N)N;GEXAAYGVWNFJIL-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47233;MM47233;C#CC(=O)C(=N)N;GOBGICLVRRFICQ-UHFFFAOYSA-N;96.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47234;MM47234;CC#CC(C)(N)CO;JXPDJKZYRCWQTH-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47235;MM47235;CCNN=C(C)C=NO;FEKLVGLUOVWJEH-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47236;MM47236;CC(C=CF)=CCC=O;GYFOZGSOHHMXNW-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47237;MM47237;CC(C=NO)=CCC#N;STILYEGHCKUFMK-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47238;MM47238;C=C(OC)C(C)(N)CO;AKQVECDUZLXEPM-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47239;MM47239;N#CC(=N)NN=CC=CN;LNUWFIGRXZQXFQ-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47240;MM47240;C=C(OCC)C(C)(N)CO;NHRSPKCLYWCRQP-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47241;MM47241;C#CC(C=NN)=NN;RMYZKWGQXXPJJJ-UHFFFAOYSA-N;110.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47242;MM47242;CN(O)C(=N)NNCC#N;RFLTXPMVSHHJFZ-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47243;MM47243;NC(C=NO)=CC=NO;DHUQGGFRGVJTLP-UHFFFAOYSA-N;129.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47244;MM47244;CC=NN=C(C)C=NO;JELXZBALQOLMDS-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47245;MM47245;N#CCONC(=N)CF;UXFNUULLCUMZNT-UHFFFAOYSA-N;131.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47246;MM47246;CN(O)C(=N)NC=NN;YQPQOEKUXYQEBQ-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47247;MM47247;CC(F)C(C)C(O)CO;PCNKIVLGBBWAIK-UHFFFAOYSA-N;136.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47248;MM47248;C#CCNC(C=O)C=O;QCNKMJMHSNOZDM-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47249;MM47249;CC(C)C(O)C(C)CO;KHVMKJQZHRKYEV-UHFFFAOYSA-N;132.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01724;MM01724;CC(C)C(O)C(C)CF;WHPHCYJAQLSUOB-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47250;MM47250;C=CC(C=NO)=CN;QQTCDLADRBCZNF-UHFFFAOYSA-N;112.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47251;MM47251;CC(C)C(F)C(O)CO;SQWMTCPOGSQHEI-UHFFFAOYSA-N;136.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47252;MM47252;CC=CN(O)C=NCC#N;MWIVRZRBSBHJQU-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47253;MM47253;C=CN(C=NCC#N)OC;ZTYUBEXKXAGHLG-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47254;MM47254;C=CN=CNN=CC#N;JYUKUDQEZSEQNE-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47255;MM47255;CC(O)C(C)C(C)C=O;DZRXMVYBHFBUHN-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47256;MM47256;C=C(NC(=NN)NO)OC;SCGROHDFYDFQNR-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47257;MM47257;CCNN=C(NO)NC=N;AVKNKFMLIGLRCU-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47258;MM47258;CC(=N)N(O)C(=N)C#N;JGBHQOQKJIMIJU-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47259;MM47259;C#CC(=NC(=C)OC)NO;LJRWEBXNZUTDHF-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47260;MM47260;C#CC(=NN)C(=N)N(C)O;BDLIEYQDAHPJDA-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47261;MM47261;CC(O)C(O)C(C)C#N;MVRSGCTXAGOFES-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47262;MM47262;CN(O)C=NC(=N)C=CF;XIGGOCSJIZAUSY-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47263;MM47263;C#CCN=CN=CN(C)O;KRXAWXXRTYHNNI-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47264;MM47264;C=CC(O)C(O)C(C)C;WTRPIFJNKQUEEO-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47265;MM47265;CC(C)C(O)C(O)C=O;NDHDXSQFVVZQJT-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47266;MM47266;CC(C)C(O)C(O)C#N;FCDAWCYZAXFOOG-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47267;MM47267;C=CC(F)C(O)C(C)O;FCIPMNSTYOJYEI-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47268;MM47268;CC(O)C(O)C(F)C#N;BHZRDALNXZXILU-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47269;MM47269;CC(O)C(F)C(C)C#N;GZFYOKRCSCOCJO-UHFFFAOYSA-N;131.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47270;MM47270;CC(C)(C=O)NC(=N)NO;GSGQLIIPHZFOAT-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47271;MM47271;N=C(CN)NO;TZWFTFOOLZXSGS-UHFFFAOYSA-N;89.1;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47272;MM47272;C=NN(CC=O)C(C)=N;NGCHCTIKJRRYGB-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47273;MM47273;N#CC=C(N)NN=CNO;FNXFFIMEHFXNNP-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47274;MM47274;C#CC(C#C)N(C)CC=O;LVNCZGBCVPLHQI-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47275;MM47275;C=C(C)N(C=NNC)OC;YQOXZSRYSOCGRN-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47276;MM47276;C#CC(C)C(O)C(C)O;MJWKMKVNAQPSPI-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47277;MM47277;C#CC(O)C(O)C(C)C;TWSPAMRLYYKFNC-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47278;MM47278;C#CC(F)C(O)C(C)O;QYBKOYNVJVAGCE-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47279;MM47279;C#CC(CO)C(C)(N)C#C;FOPIYOQIJFQEOP-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47280;MM47280;CN=C(NC)OCCO;WDWWTPGSNRNVRD-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47281;MM47281;CCON(C=NNC)CC;LPDLORSJOVWUCB-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47282;MM47282;C=C(C)C(C)C(O)CO;ONWIYMNARYAHIU-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47283;MM47283;C=C(F)C(=NN)NN;FPHYTHRRNVATKY-UHFFFAOYSA-N;118.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47284;MM47284;CCC(C#CC(N)=O)NC;RBXPSOMLHNJOLE-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47285;MM47285;CN(N)C=NCCO;QBWXPBDSROPMLV-UHFFFAOYSA-N;117.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47286;MM47286;CCC(C)C(O)C(C)=O;FELYPTQBPAKDMR-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47287;MM47287;CC#CC(N)CC(C)O;BQTLIUZMPKWSGN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47288;MM47288;C=NN=CC(=N)NC=NN;WWFXWXCOAUPCLA-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47289;MM47289;CCC(=O)C(=N)C=CNO;KHDFSYKJDLXWAE-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47290;MM47290;C=C(C)C(O)C(F)CO;JHOCQQZUOFVOSC-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47291;MM47291;COC(CCO)CN(C)C;HALQPQTZGPPDNU-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47292;MM47292;C=NNC=NC(=C)C;PTMWVBWOHHKYMW-UHFFFAOYSA-N;111.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47293;MM47293;N#CCONC(=N)OC=O;LEOOKZFORYJIKE-UHFFFAOYSA-N;143.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47294;MM47294;C#CC(=NNC=O)N(C)N;RQNVSJULGYFMDP-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47295;MM47295;CCC(C)N(O)C(C)=O;MFZBDNWSZGEJDE-UHFFFAOYSA-N;131.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47296;MM47296;CNCC(=O)NC;NODGJSNKUCVLNN-UHFFFAOYSA-N;102.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47297;MM47297;CCC(C)N(O)C(N)=O;GDIHNGUSWGSKSU-UHFFFAOYSA-N;132.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47298;MM47298;C=CC(O)C(C)C(C)=O;MRKMDRDGCMMFOY-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47299;MM47299;CC(=O)C(C)C(O)C#N;ZDFNDOVCSVPRHK-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47300;MM47300;C=CC(O)C(C)C(=O)O;LEMWLUVPJFUNEB-UHFFFAOYSA-N;130.14;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15300;MM15300;C=C(C)C(C)C(F)C=O;MTSDSNAORZZRLY-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47301;MM47301;C=C(C)C(O)C(C)C=O;HHQUOQJZPUFJSS-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47302;MM47302;CC(C#N)C(O)C(=O)O;OAKVCJWSZCRIJF-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47303;MM47303;C=C(C)C(O)C(O)C#N;GRMAKLNYCSBSMT-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47304;MM47304;C=C(F)C(O)C(O)C#N;MSEJUOSAXCXUJE-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47305;MM47305;C=C(C)C(F)C(C)C=O;USGYCTYEATWVFZ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47306;MM47306;C=CC(C)C(F)C(C)=O;LZKMXZLQIDECTE-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47307;MM47307;C#CC(=N)N(N)C(C)=NO;KHJDCGNFOUQWSW-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47308;MM47308;CNCC(=O)NCC(C)C;MZKXMPZWARGFLD-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47309;MM47309;C#CCC(C=NO)=CN;VXDBOOLZFATBSG-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47310;MM47310;CCC(=N)N(O)C(=N)C#N;OOHIDRHGPPOHOO-UHFFFAOYSA-N;140.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47311;MM47311;CCCCNC(=O)CNC;YPQBXFWRJLBFDU-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47312;MM47312;CC(C#N)N(C)C(N)=O;YTYRDVDLXQYHSW-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47313;MM47313;C=C(C(=O)NCC)C(C)N;BUDSURFJIHNSBX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47314;MM47314;C=CC(C)N(O)C(C)=O;PBCSHJQVAPYJAR-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47315;MM47315;CONC(=NN)NC=N;UYRWBGKTKGOWGM-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47316;MM47316;C=CC(O)C(C)(C#N)NC;QQUVAMLVOJKTBK-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47317;MM47317;C=CC(C)N(O)C(N)=O;DBWFRPKASXVPIE-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15377;MM15377;C#CC(O)C(C)C(=C)C;SRHGHZFGBLGMPA-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47318;MM47318;C#CC(O)C(C)C(C)=O;NDVNDHSSQGSWHD-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-hydroxy-2-methylpent-4-ynoic Acid";MM03631;C#CC(O)C(C)C(=O)O;SNGMDOIRRCILJX-UHFFFAOYSA-N;128.13;-0.3;76225562;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47319;MM47319;C#CC(C)C(O)C(C)=O;CTVQQOOVMALIEO-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxy-3-methylpent-4-ynoic Acid";MM03532;C#CC(C)C(O)C(=O)O;IENZGQQXRVLNRD-UHFFFAOYSA-N;128.13;-0.3;76225563;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47320;MM47320;C#CC(O)C(O)C(=C)F;NQOHUTUIUOSEBF-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47321;MM47321;CCC=CC(N)CC(N)=O;UZZFSJMMYXQYNE-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47322;MM47322;C#CC(C)C(F)C(N)=O;IZAQGKJGLRGCRX-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47323;MM47323;CN(C=N)C=NNCC#N;ZORPDAKGINYQHF-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47324;MM47324;CNN=CNCCCC#N;NLUQKJCNVUTHHN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16346;MM16346;C#CC(O)C(F)C(=O)O;LQFYWQKETLRVBD-UHFFFAOYSA-N;132.09;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47325;MM47325;C#CCCCNC=NNC;ZUDSXYUNHNZPNU-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47326;MM47326;CCNC(C)(C#N)CO;ULWMKQRNTZGKSN-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47327;MM47327;N=CNC=NC=NC=NN;XEJYFKBEOVTNEM-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47328;MM47328;C=C(CO)C(O)C(C)C;LUONBGNOIQMGKI-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47329;MM47329;CC(C)C(O)C(=O)CO;GYFNNEUMUPKCMI-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47330;MM47330;C=C(C)N(O)C=NC=N;KSWPJNBMLUYKGQ-UHFFFAOYSA-N;127.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47331;MM47331;COC=NNC(C)(C)CN;MGDDWZMAZQYVIS-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47332;MM47332;N=CN=CN=CNC=N;HLODTWBVRICRSH-UHFFFAOYSA-N;125.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47333;MM47333;CC(C)C(C)C(=O)NO;YXOZSTRHLBEUAC-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47334;MM47334;CC(CCF)CNCC=O;QDYFZNCDZXPYFM-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47335;MM47335;C=NN=CC(=N)N(C)O;QEQYOKDYZHTTFI-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47336;MM47336;C=CCNC(=N)C=NNC;QAPCAQNKOJNGDU-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47337;MM47337;CC(O)C(F)C(=O)NN;GNYJTIKDPTUOIK-UHFFFAOYSA-N;136.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47338;MM47338;COC(=O)C(C)C(C)O;FFJMPYODEQVBEX-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47339;MM47339;CC(=NC=NC=O)N(C)O;RJDANAPTNYLUCM-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47340;MM47340;C=C(C#CC(C)=O)CNC;JHJUVSLVSQAFST-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47341;MM47341;CC(C)(C#N)NCCO;YCADCBJTVOGBQO-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47342;MM47342;CNN=C(COC)NOC;XESXHROKZRYJLA-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47343;MM47343;CC(C)N(O)C(=O)CF;BFMZDHFQNPQDRE-UHFFFAOYSA-N;135.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47344;MM47344;CNN=CN(C)OCOC;FTDMVBZXUWROIR-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47345;MM47345;CNC(=O)N(C)C(C)C;AUXQWWOETSYBLZ-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47346;MM47346;C=NNC(=N)CN(N)C=N;NJRYADIGYDQRMO-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47347;MM47347;CC(C)N(C)C(=O)NO;OSUDGGKDCJGUCU-UHFFFAOYSA-N;132.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47348;MM47348;CC=C(F)C(=NN)NN;OJNHHWLQEQXEPU-UHFFFAOYSA-N;132.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47349;MM47349;C=CC#CC(C=NN)=NN;LTHXLALSCRGCES-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47350;MM47350;CNC(=N)C(C#N)OC;GVTLSXZFDBKTHO-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47351;MM47351;COC(=O)N(O)C(C)C;CDCQLPUNMQBDNH-UHFFFAOYSA-N;133.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47352;MM47352;COC(C#CCN)C(C)F;MCCZSCIZMKNKJU-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47353;MM47353;CN(C)N(C)C(=O)NO;FWJXDVAVOCOKQS-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47354;MM47354;CC(O)C(C)C(=O)C#N;BUNSOHMMSNSVCC-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47355;MM47355;CC=C(C#N)N=CNC=N;SGLIQOFZQFIBFV-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47356;MM47356;CC(C)C(O)C(=O)C=O;MHQKNBCUUSNYIS-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47357;MM47357;CC(O)C(O)C(=O)C#N;KEPVRTOWENYFEO-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47358;MM47358;C=CC(=O)C(F)C(C)O;YNBGIEWVTOGRQB-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47359;MM47359;CC(O)C(F)C(=O)C#N;NBNQHTGSSSWNJI-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47360;MM47360;NCC#CC#CC(F)CN;CHTLDBKEAPNYJZ-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47361;MM47361;CC(C)N(C)C(=O)C=O;OAGWLNDCOHRSFC-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47362;MM47362;CC(C)N(C)C(=O)C#N;XARROTUXRXDKPG-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47363;MM47363;C=CC(=O)N(O)C(C)C;ZWVFFGLNDWLCPD-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47364;MM47364;C#CC(=O)C(C)C(C)O;PSZWQLOULBNONR-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47365;MM47365;C#CC(=O)C(F)C(C)O;DEVYDPOUFJOODD-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47366;MM47366;CC(C#N)C(=O)NC(=N)N;KCUKZSQKQORCAZ-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47367;MM47367;CC(CNC(C)(C)C)=NO;GOMIIXAZDKCIQQ-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47368;MM47368;C#CC(=O)N(O)C(C)C;YBNCFXAPBCMSML-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47369;MM47369;C=C(CO)C(C)C(C)=O;HYCYYVZOAZELLQ-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47370;MM47370;C=C(C)C(C)C(=O)CO;DONSTOPCVFJIEG-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47371;MM47371;C#CC(=NN)C(C)=NN;ORLHLPVGMGRTGZ-UHFFFAOYSA-N;124.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47372;MM47372;C=C(C)C(O)C(=C)CO;JVLOKOGURNVDMA-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47373;MM47373;C=C(CC)C(O)C(C)=O;RYOYKZMTUHSAQW-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47374;MM47374;C=NNC=NCCC(C)=O;YRBNLWBBEPTMTR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47375;MM47375;C=C(C)C(O)C(=O)CC;OGIHOQKNDJSMLZ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47376;MM47376;C=C(C)C(F)C(=O)CO;YRKYUFAJDXVOTK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47377;MM47377;CON=C(C)C=NN;BVHUZUMJZMHMAL-UHFFFAOYSA-N;115.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47378;MM47378;CNC(=O)C(C)C(C)=O;CZURHWUSHIPSTQ-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47379;MM47379;C=NNC=NC(C)C;HDHPKCVKFOOXAH-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47380;MM47380;CCCCNCC(C)=NO;XPTUGLFTHGDQLG-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47381;MM47381;CNCC(C#N)=NNC;SFMJMKLRGPKJJQ-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47382;MM47382;C=NNC(=NO)OCCN;URAJBRVABYUFGB-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47383;MM47383;C=C(C)C(O)C(=O)NC;VZZATKBSEGUNLD-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47384;MM47384;C=C(C)C(F)C(=O)NN;ROXDEHPBNZPRML-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47385;MM47385;C=C(C)C(F)C(=O)NO;ILINEUMMSNKXHE-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-methyl-3-oxobutanoate";MM02395;COC(=O)C(C)C(C)=O;NDTWZHURUDSPQV-UHFFFAOYSA-N;130.14;0.38;86508;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47386;MM47386;C=C(C)C(O)C(=O)OC;XKJWUMFWOHOXIQ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47387;MM47387;C#CC(O)C#CC(C)NC;KHVKGYBONMTTBD-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-fluoro-3-oxobutanoate";MM02886;COC(=O)C(F)C(C)=O;FXZAMEPLYGXHJI-UHFFFAOYSA-N;134.11;0.09;11679823;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47388;MM47388;C=C(CF)N(C)C(N)=O;KCFJWUYQXFLMET-UHFFFAOYSA-N;132.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47389;MM47389;CNCC#CCC(=O)NN;LMUPXJZINJMRPT-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47390;MM47390;CNN(C=CC#N)C=NO;SCDOFFHMHFQMNW-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47391;MM47391;CN(C(N)=O)C(=O)CO;UQXZVRHVTCMCAG-UHFFFAOYSA-N;132.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47392;MM47392;CC(=NO)C(=N)N(C)O;HWYGTMUAKRCZEH-UHFFFAOYSA-N;131.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47393;MM47393;C#CC#CC(O)C(N)C=C;LZIWMNUGZNHELC-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47394;MM47394;C=CNC(=NN=C)NC=O;LXEDAHQIRAHGKV-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47395;MM47395;C#CC(=NO)N(N)C(=C)C;VCZMKNGWGNGDFN-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47396;MM47396;CN(O)C=NC=NCC#N;LJTQHXQJPVFPTH-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47397;MM47397;N=C(CO)N(O)C(N)=O;MCDPMYHSUIHYNO-UHFFFAOYSA-N;133.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47398;MM47398;C#CC(N)CC(C)(O)C#C;PPOGZVUYGRESDH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47399;MM47399;C#CC(NC)C(O)C(C)C;SGKVJKQTRMJQNT-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47400;MM47400;C=NNC(=NO)NC(C)C;BENBSPAKBXDHEM-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47401;MM47401;C=C(C)N(C)C(=O)NC;DUPSMAZKVHLNNJ-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47402;MM47402;N#CC=C(N)N(O)C=N;JZTQNFNAKUUCNQ-UHFFFAOYSA-N;126.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47403;MM47403;C=C(C)N(C)C(=O)NO;NYPDYQMKCHRIGX-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47404;MM47404;CC(C)(CO)ON=CCN;IFABFNOGOYWEIE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47405;MM47405;CNC(=O)N(C)C(N)=O;NJNZEYCXZYPCJP-UHFFFAOYSA-N;131.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47406;MM47406;CNC(=NO)NN=C(C)C;PBEDGTMBMHHYOY-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47407;MM47407;CCC(O)CON=CCN;CMRHRHJWGDPINS-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47408;MM47408;COC=NNC(=NN)NO;WDJSITJSDWJNSI-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47409;MM47409;C=C(C)N(N)C(=O)NO;YBKJGCNUHLBUQK-UHFFFAOYSA-N;131.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47410;MM47410;C#CC(CO)(CC=C)NC;QLFGLCPJUDNLGP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47411;MM47411;COC(CO)C(=N)NC=N;RSGXVXBNIMLZQC-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47412;MM47412;C=C(C)N(O)C(=O)NC;DHNNBCIMWVCMAJ-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47413;MM47413;C=C(C)N(O)C(=O)NN;RLSZXTFGIIILJS-UHFFFAOYSA-N;131.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47414;MM47414;C=C(C)N(O)C(=O)NO;YXWRZTGBNFCDHU-UHFFFAOYSA-N;132.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47415;MM47415;CNC(=O)N(O)C(N)=O;VUSFMJCKLPBWDR-UHFFFAOYSA-N;133.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47416;MM47416;C=C(OC)N(C)C(C)=O;NYVGQUVBBSOWSJ-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47417;MM47417;C=C(OC)N(C)C(N)=O;UYYOCFWSGMGETI-UHFFFAOYSA-N;130.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47418;MM47418;COC(=O)N(C)C(C)=O;QWKDUZLPRQPXEK-UHFFFAOYSA-N;131.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47419;MM47419;COC(=O)N(C)C(N)=O;VHTDCCAYAKIDKB-UHFFFAOYSA-N;132.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47420;MM47420;C=C(OC)N(O)C(C)=O;QWYRQWRKGNYRSP-UHFFFAOYSA-N;131.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47421;MM47421;C=NNC(=N)C(O)CO;OTWUPCLDYMPGLU-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47422;MM47422;CN=CN(O)C(C#N)=CN;JQYAXXSYBVJFLI-UHFFFAOYSA-N;140.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47423;MM47423;C=C(C)N(O)C(=O)OC;BVFOUQXYNGGBNG-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47424;MM47424;C=NNC(=N)NC(=N)OC;NSGNWKRBMGPPLS-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47425;MM47425;C=C(C#N)C(C)C(N)=O;WZDSWRULIWURDU-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16578;MM16578;CC(=O)C(C)C(=O)C#N;SGSMPQDENNHSLT-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47426;MM47426;C=C(C)C(O)C(=C)C=O;JOGDDMISXHVDJI-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47427;MM47427;C=CC(=C)C(O)C(C)=O;AGTFLQHEKOZLPX-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16490;MM16490;C=CC(=C)C(O)C(=O)O;TVHFTCMQJSIKST-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47428;MM47428;C=C(C#N)C(O)C(=O)O;HNXTUXAATWMKDJ-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47429;MM47429;C=C(C)C(O)C(=O)C=O;SRBWPEYTBVDHJY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47430;MM47430;CC(=O)C(O)C(=O)C#N;OVKSQAUEXBNTAY-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47431;MM47431;CN(C)C(C)(C#N)CO;SHVCRZLVIGLXKV-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02044;MM02044;CC(=O)C(F)C(=O)C=O;WFGGMTKKCBXBTQ-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47432;MM47432;CCN(O)C(=N)C=CN;BTFNDNPIVSIHJU-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47433;MM47433;N#CC(=O)C(F)C(N)=O;OAPQOHUYOAEQQJ-UHFFFAOYSA-N;130.08;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47434;MM47434;C=C(C#N)N(C)C(C)=O;OUGJEPHCOQEDHB-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47435;MM47435;C=C(C=O)N(C)C(N)=O;CDYCSAJPLOBFII-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47436;MM47436;C=C(C#N)N(C)C(N)=O;OELWQCJMVIMUTM-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47437;MM47437;CC(=O)N(C)C(=N)C=O;YUTBWYMOEYEJFD-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47438;MM47438;CNN=C(NO)NC=N;YUUGSHJCGANZBA-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47439;MM47439;CN(C(=N)C=O)C(N)=O;CHTMCTGNXJAGCA-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47440;MM47440;CN(C(=N)C#N)C(N)=O;RPZGWGKFPXWWCO-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47441;MM47441;C=CC(=O)N(C)C(C)=O;MTPUWWVRVCPGFZ-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47442;MM47442;CC(=O)N(C)C(=O)C=O;LNHZGQNOZUFZSV-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47443;MM47443;COCON=C(CO)NN;FNVQESYGWISVEC-UHFFFAOYSA-N;149.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47444;MM47444;CN(C(N)=O)C(=O)C#N;FHQMKHOKEBFDLI-UHFFFAOYSA-N;127.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47445;MM47445;C=CNC(=NN)NO;SPZFBPGPRDJBKF-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47446;MM47446;C=C(C)NC(CO)=NOC;HZCGMEPPNOXORN-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47447;MM47447;C=C(C#N)N(O)C(N)=O;JXHYZLFDSDITNI-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47448;MM47448;CC#CC(C=O)N(O)C=N;YHFPFVMHGKNPNC-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47449;MM47449;CC=NN=CC(=N)N(C)O;BFVPGTJMFFSFLW-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47450;MM47450;NCC=NOCCO;SJJIDIMDJROGMO-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47451;MM47451;C=C(C)N(O)C(=O)C=O;UKTQHDSGAQVPJA-UHFFFAOYSA-N;129.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47452;MM47452;C=C(C)N(O)C(=O)C#N;WZNREQIXVFWBMI-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47453;MM47453;N#CC(=O)N(O)C(=N)N;SJXQVMRIENVUDL-UHFFFAOYSA-N;128.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47454;MM47454;C=C(CO)C(C)N(C)C;RJDQTYLJTWUHNL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47455;MM47455;C#CC(=C)C(O)C(C)=O;OPBAALFQVBVOCS-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47456;MM47456;C#CC(=C)C(O)C(=O)O;KPDDNRTZQHOVCW-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47457;MM47457;C#CC(=O)C(O)C(=C)C;QPEQFCFYERVJHL-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47458;MM47458;C#CC(=O)C(O)C(N)=O;VZDWTKODVPSDNS-UHFFFAOYSA-N;127.1;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47459;MM47459;C#CC(=O)C(O)C(=C)F;JMTASLBIKHECGA-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47460;MM47460;CC(C)NN=C(CF)NN;DHTWSDOQMHKAFN-UHFFFAOYSA-N;148.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47461;MM47461;C#CC(=C)C(F)C(N)=O;SQUYTHXBIWWJRJ-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47462;MM47462;C#CC(=O)C(F)C(N)=O;RJSCMUZWCDHENN-UHFFFAOYSA-N;129.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47463;MM47463;C#CC(=C)N(C)C(C)=O;RVYVGCJOCRPLEG-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47464;MM47464;C#CC(=C)N(C)C(N)=O;AKQWXRVDOVWOGL-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47465;MM47465;C#CC(=C)CNCC(C)O;XLFOIXJHJANJHT-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47466;MM47466;C#CC(=O)N(C)C(=C)C;FKRVDIKPOVHPDR-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47467;MM47467;NCC#CCON=CNO;WYRMYIFVSIHQRW-UHFFFAOYSA-N;143.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47468;MM47468;C#CC(=O)N(C)C(N)=O;PETAKVXVBOSHRM-UHFFFAOYSA-N;126.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47469;MM47469;CNC(=N)C(C#N)=CNO;GMRDQHZPQZVYFU-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47470;MM47470;CNC(=O)CC#CC(C)N;ZHURNEGVWJZDFI-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47471;MM47471;CNN=CN(C=N)C=NN;DRTUZXGUIWZAEU-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47472;MM47472;NN=CC#CC(=NN)NN;HMLJFLQTMGNVFY-UHFFFAOYSA-N;140.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47473;MM47473;NN=C(CF)NN;QYMBHINFMXBMNB-UHFFFAOYSA-N;106.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47474;MM47474;C#CC(=C)N(O)C(C)=O;XGWYOYYGDYOIEU-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47475;MM47475;CC(F)C(=NN)NN;RQAIBVKTGLHIIQ-UHFFFAOYSA-N;120.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47476;MM47476;C#CC(=C)N(O)C(N)=O;BTBOULSPMXIWAB-UHFFFAOYSA-N;126.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47477;MM47477;C#CC(=N)N(O)C(N)=O;JSRFRAYIIGCPBM-UHFFFAOYSA-N;127.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47478;MM47478;C#CC(=O)N(O)C(=C)C;XCSQUORAXYVFAK-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47479;MM47479;C=CCNNC(CF)=NN;KYRXTHVUYSWFHM-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47480;MM47480;CON=C(C=NO)NN;XYLMCWJBNGZYBV-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47481;MM47481;CC(C)C(=O)C(F)CO;HZGMODDSVGCGGC-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47482;MM47482;CON=CC(=NO)NN;ATAGLGSFOGDMGU-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47483;MM47483;CCON=CC(=NO)NN;UXASBXDNUMSSIL-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47484;MM47484;CNCC#CCC(=O)NC;VEFHXXHCGYTWKD-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47485;MM47485;CNCC(C)(F)CCO;ZGMMPLMKNSQJFY-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47486;MM47486;C#CC(O)C(=NNC)NN;JVQVFDSCTWWWFT-UHFFFAOYSA-N;142.16;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47487;MM47487;CC#CC(N)CCO;LRDFPZUUWOPCJI-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47488;MM47488;COC(C)C(=O)N(C)C;XUVWXXLLFCCPIU-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47489;MM47489;C=NNC(=N)NN(C)C=O;ZUETVGCFOIXKTN-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47490;MM47490;COC(C)C(=O)N(C)O;ARNHMWQYNJIEKN-UHFFFAOYSA-N;133.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47491;MM47491;CNN=C(CF)N(O)C=N;HXGRAFSHGQYXDA-UHFFFAOYSA-N;148.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47492;MM47492;CCN(O)C(=O)C(C)F;INYUBZQEJHUODI-UHFFFAOYSA-N;135.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47493;MM47493;OCC1(CF)CN1;QLDFYAZMUOMBBX-UHFFFAOYSA-N;105.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47494;MM47494;CCN(C)C(=O)N(C)O;VVGPJBGVLVKVNK-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47495;MM47495;CNN(C)C(=O)N(C)O;CHJHSVUTRGYBOS-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47496;MM47496;CON(C)C(=O)N(C)C;VTLOQWKTMLAQKF-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47497;MM47497;C=C(C(C)O)C(C)C=O;ZIPOQOWVDCAHPI-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47498;MM47498;C=C(C(C)O)C(C)C#N;VZEJEGZESCUEPG-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47499;MM47499;C=CC(O)C(=C)C(C)O;MPNQZCPKTXSYNX-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47500;MM47500;C=C(C(C)O)C(F)C#N;ULEXJRBZZVVSOW-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47501;MM47501;C=CC(C)C(=O)C(C)O;BLXIKISEQFPEDT-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47502;MM47502;C=CC(O)C(=O)C(C)C;MNPLGYIOUIEILG-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47503;MM47503;CC(C)C(=O)C(O)C#N;MWYDLUOBQMBGGG-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47504;MM47504;CC(O)C(=O)C(O)C#N;VFEBPTPCAMUIAA-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47505;MM47505;C=CC(O)C(=O)C(C)F;UJTJBTLHNIILEW-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47506;MM47506;CC(O)C(=O)C(F)C#N;ADWFGXWTEGUZCC-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47507;MM47507;CN=C(NC)OCCCO;VKULEDURQOCMNI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47508;MM47508;CC(C)(CO)NCC#N;VKGQZJMEICLJKN-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47509;MM47509;C=COCC(=NNC)NO;ALIHDDMQEMANHJ-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47510;MM47510;COCC(CCO)N(C)C;VNUSGAGSPZAVLI-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47511;MM47511;CC(C#N)C(=O)N(C)O;KRHIAHIWFZHXLT-UHFFFAOYSA-N;128.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47512;MM47512;C=CC(O)C(=O)N(C)O;MCKUKKXGIYNNRC-UHFFFAOYSA-N;131.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47513;MM47513;CN(O)C(=O)C(O)C=O;TXMYGQPYVDNSFT-UHFFFAOYSA-N;133.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47514;MM47514;CN(O)C(=O)C(O)C#N;YESLJDCAQCHXJB-UHFFFAOYSA-N;130.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47515;MM47515;CN(C)C(=O)C(F)C#N;VNNBMCOBYPAXTC-UHFFFAOYSA-N;130.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47516;MM47516;C=C(C(C)O)N(C)C=O;ICLZULZFYBLDRD-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47517;MM47517;CN=C(CC#N)N=CNO;YBJZFYWFIUCCHN-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47518;MM47518;C=C(C(C)C)N(O)C=O;DAYAZBDQOKBDQZ-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47519;MM47519;C=C(C(C)O)N(O)C=O;RMZNBLKTPGZOSI-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47520;MM47520;CNC(C=C(C)F)CC=O;ZDJYCIOQVVIZGK-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47521;MM47521;C=C(F)C(C#N)C(=N)N;IBVGFZZVRKVHAL-UHFFFAOYSA-N;127.12;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47522;MM47522;CON(C=NC=N)C(=N)N;ZAPNLBIXJPRONI-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47523;MM47523;CC(F)C(=O)N(C)C=O;MUNXJJFAZAHFPO-UHFFFAOYSA-N;133.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47524;MM47524;C=CN(O)C(=O)C(C)C;OFKVARBCLNRHIX-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47525;MM47525;CNC(C)CC(=O)C#N;PEMYSRNVYGTPEB-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47526;MM47526;C#CC(C=O)CNCC=C;LFTACWILCYHLSQ-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47527;MM47527;N#CC(N=CNO)=C(N)N;KSFZIKORAAGUAV-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47528;MM47528;C#CC(CF)ON=CCN;JUSOWWXHUNKCOQ-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47529;MM47529;C#CC(C=O)C(C=C)NC;GAUMSRZHAPNOOD-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47530;MM47530;CN(O)C(=N)N(O)C=O;WKGXTBGYPPWJQH-UHFFFAOYSA-N;133.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47531;MM47531;CN(O)C(=O)N(C)C=N;PEYYJWHNUQWXBJ-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47532;MM47532;CN(O)C(=O)N(C)C=O;FRORJDRQYHPTMV-UHFFFAOYSA-N;132.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47533;MM47533;CN(O)C(=O)N(N)C=O;FGRZNOHNWHHRPX-UHFFFAOYSA-N;133.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47534;MM47534;CN(C)C(=O)N(O)C=N;RRZPYZSFVUWUFF-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47535;MM47535;C=CN(O)C(=O)N(C)N;JGOHXPOLEJKHGY-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47536;MM47536;CN(O)C(=O)N(O)C=N;XDYWWYJCFHQACV-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47537;MM47537;C=NN(C)C(=O)N(C)O;LDLMKVDMIOZAST-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47538;MM47538;C#CC(O)C(=O)C(C)C;AKZDCMIDXXETHZ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47539;MM47539;C#CC(F)C(=O)C(C)O;BLEKTVNYKYHARN-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47540;MM47540;CN=C(CC#N)N(C)C=N;YSVUHBSMUZZRAF-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47541;MM47541;C#CCNCC(C)C=O;BHEDIHZFSBJSGF-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47542;MM47542;N=CNN=CON=CCN;HMCBZUXYFOPYAB-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47543;MM47543;CC(C=O)(CF)NN=CN;KGUDPXAZAXUBRY-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47544;MM47544;CC(C#CC=O)NN=CN;LRVGLTVKTBSJFS-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47545;MM47545;C#CC(O)C(=O)N(C)C;ZTKCHVGWJQZZPN-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47546;MM47546;CNC(CCCF)C(C)=O;HWQIGKHODXCGFF-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47547;MM47547;C#CC(O)C(=O)N(C)O;SWGHKQCZGBYGMP-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47548;MM47548;C#CC(F)C(=O)N(C)C;CZQMFPHVTWFGRF-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47549;MM47549;CCC(NC)C(C)=O;QXESXKCLSKGOKE-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47550;MM47550;C#CC(F)C(=O)N(C)O;USHPLMFSUYSNHT-UHFFFAOYSA-N;131.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47551;MM47551;C=C(CNC)OC(C)C=O;NKWQYVXNFRZLLR-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47552;MM47552;C=C(C)C(=C)C(O)CO;KKFHFMQBNOFXLU-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47553;MM47553;C=C(C(C)=O)C(O)CC;QJDSREBWOROHEM-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47554;MM47554;C=C(C(N)=O)C(O)CO;SABPCLVEZWTHFB-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47555;MM47555;C=C(C(=O)O)C(O)CC;FTFIOMRCOSXJJY-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47556;MM47556;CC(=O)C(=O)C(C)CF;DNGVNRNXLNQQFR-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47557;MM47557;C=C(C)C(=O)C(O)CC;YOMTVEOMUYNRCV-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47558;MM47558;C=C(C)C(=O)C(O)CF;CISGIHNJXZPZOW-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47559;MM47559;C=C(C)C(=O)C(F)CO;AZKBPBSQDHKWMH-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47560;MM47560;C#CC(C)(CF)N=CNO;PXLFQVAYMAIMCU-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47561;MM47561;CC(=O)CN(C)CC=O;LUCNRPQYJPZHPJ-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47562;MM47562;CNN=C(NN)C(C)(C)F;AGXIJCPXBHTVEL-UHFFFAOYSA-N;148.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47563;MM47563;COC(C)C(=O)C(C)=O;FAULUOKKBSLSJZ-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47564;MM47564;C#CC(=NN)N(C)C(C)=N;IPWGWOIXAGDHME-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47565;MM47565;CCC(F)C(=NNC)NN;CPGOMXWHJMVUQS-UHFFFAOYSA-N;148.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47566;MM47566;CCN(C)C(=O)C(C)=O;ALKIISDHYWWZIP-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-[ethyl(methyl)amino]-2-oxoacetic Acid";MM03405;CCN(C)C(=O)C(=O)O;ZCGJRLXCWZCTOU-UHFFFAOYSA-N;131.13;-0.45;19887910;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47567;MM47567;C=C(N=CN)C(C)=O;VWTUEEFXJVKLEG-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47568;MM47568;CCN(N)C(=O)C(=O)O;HIVTYMLEOPHMCB-UHFFFAOYSA-N;132.12;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47569;MM47569;CCN(O)C(=O)C(=N)N;CJSJECNHYSKWCT-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47570;MM47570;C=C(C)C(=O)N(C)OC;CSCFRIXKHXJIFU-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47571;MM47571;CNN=CON=CCN;WUKXTVASEFGKJL-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47572;MM47572;C=C(C)C(=C)C(O)C=O;XVFUCBKGBCLPGT-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47573;MM47573;C=C(C(N)=O)C(O)C#N;MNIWQRXBUDRIAS-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2,4-dimethyl-3-oxopent-4-enal;MM02518;C=C(C)C(=O)C(C)C=O;QHKYVTGYMMROSC-UHFFFAOYSA-N;126.16;0.97;85763204;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15584;MM15584;C=CC(C)C(=O)C(C)=O;QYYFWLFYWIFZSP-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47574;MM47574;CC(C#N)C(=O)C(N)=O;YDWHEWFXSUUYFN-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-methyl-2,4-dioxobutanoic Acid";MM03347;CC(C=O)C(=O)C(=O)O;PMIYGCYWAPAWSN-UHFFFAOYSA-N;130.1;-0.52;19735011;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyano-2-oxobutanoic Acid";MM03129;CC(C#N)C(=O)C(=O)O;OPDUOZLGXOCOHK-UHFFFAOYSA-N;127.1;-0.2;55303068;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47575;MM47575;C=C(C)C(=O)C(O)C#N;CKKNJVATUKFIGG-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47576;MM47576;C=CC(O)C(=O)C(C)=O;SFLQUCLJUXSFAU-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47577;MM47577;CC(=O)C(=O)C(O)C#N;PBYMKMSKYICWHE-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47578;MM47578;CNN=C(C)ON=CCN;XCEUIDRTYQVJBR-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47579;MM47579;N#CC(O)C(=O)C(N)=O;NKJXWIJDSGBHEK-UHFFFAOYSA-N;128.09;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47580;MM47580;C=C(F)C(=O)C(O)C#N;GDVDGSUUTQOGNH-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15775;MM15775;C=C(C)C(=O)C(F)C#N;IHNSQQHQKZTANP-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02040;MM02040;CC(=O)C(=O)C(F)C=O;AQPDDALYYAZIKO-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47581;MM47581;C=C(C(C)=O)N(C)C=O;PDOHMVALFHPYRF-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47582;MM47582;C=NN=C(NN)C(=C)OC;GGMDAOKVJQEYFH-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47583;MM47583;CNC(C=CF)CC(C)=O;QWENAORXWVRHKJ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47584;MM47584;C#CC=C(F)C(=NN)NN;KBUVIYRUDUKKDR-UHFFFAOYSA-N;142.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47585;MM47585;CC(C)(F)C(=NN)NN;KZWXKWGYLIZPIG-UHFFFAOYSA-N;134.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47586;MM47586;C#CC(C#C)N(C)C=NN;WRDORWGQMDBTSX-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47587;MM47587;C=C(C)C(=O)N(C)C=O;FWRCPIXUUKCCRJ-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47588;MM47588;CC=CN=CN=CNC=N;LRSMQYXFPQYJLC-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47589;MM47589;CC(=O)C(=O)N(C)C=O;GFCQHRDCMUPSDP-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47590;MM47590;C=CN(O)C(=O)C(=C)C;XCCUEICTGICZLK-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47591;MM47591;C=CN(O)C(=O)C(=N)N;HPPWLSTZIUMELR-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47592;MM47592;C#CC(O)C(=C)C(C)=O;ZODUXXOKQGMJHM-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47593;MM47593;CNN=C(C(=N)N)C(=N)N;JQGMDBHADNJNQZ-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47594;MM47594;C#CC(O)C(=C)C(=O)O;IABRNDZSTPLFQO-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47595;MM47595;C#CC(N)C(F)C#CCN;CVZVADIQXQLKLL-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47596;MM47596;C#CC(O)C(=O)C(=C)C;PUYLPZPWWJZLFQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47597;MM47597;CNC(C)(C#N)CC(C)=O;AFILAUKUGHFJHH-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47598;MM47598;C#CC(O)C(=O)C(N)=O;BUODGFQOEKVXCZ-UHFFFAOYSA-N;127.1;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47599;MM47599;C#CC(O)C(=O)C(=O)O;KXDLZPZIQNPNCC-UHFFFAOYSA-N;128.08;-1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15548;MM15548;C#CC(F)C(=O)C(C)=O;HHJJTWNCHPLDBT-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47600;MM47600;CC#CC(C=O)NCC=O;SEIZIWMGBHSHKF-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16232;MM16232;C#CC(F)C(=O)C(=O)O;YWRPEHGGFVRSAM-UHFFFAOYSA-N;130.07;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47601;MM47601;NCC#CCON=CCF;JYTFUMROOIHCHH-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47602;MM47602;C=C(CO)C(=C)C(C)O;VUZJRTQIOBOXKT-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47603;MM47603;C=C(C(=O)CC)C(C)O;GHEXSNDGNYQALO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47604;MM47604;C=C(C(=O)CO)C(C)F;IZSIXRYOTCMSLX-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47605;MM47605;C=C(CO)C(=O)C(C)C;QLCMXTNYUPQQGG-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47606;MM47606;C=C(CC)C(=O)C(C)O;XRKDHEXDJJKFEZ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47607;MM47607;C=C(CF)C(=O)C(C)O;JIGOHFVSWDIYHK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47608;MM47608;CCC(N)C(F)C=NNC;ROYWMLBCIHWKGA-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47609;MM47609;C=C(C(=O)NO)C(C)F;XTKZNGPHIGDVPG-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47610;MM47610;C=C(C(=O)OC)C(C)O;VLCAYQIMSMPEBW-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47611;MM47611;C=C(OC)C(=O)C(C)O;FDNWBUQZYOKCIC-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47612;MM47612;COC(=O)C(=O)C(C)C;NKWVBPZZQFOVCE-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47613;MM47613;Cn1oc(=NN)oc1=N;NZBFRKFWGQRVCG-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47614;MM47614;CN(C)C(=O)C(=O)CF;PEHSHKLDVSSBIF-UHFFFAOYSA-N;133.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47615;MM47615;CON=C(C=NN)NN;WXHQXXJQEKNEKJ-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47616;MM47616;CNCC(F)C(C)C=NO;MGQOZKXVOQFXRS-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47617;MM47617;CC(CC(F)CN)=NO;UPVCXLHFOMKBLL-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47618;MM47618;CN(N)C(=N)C(=O)NO;LWONIBMTVNASSS-UHFFFAOYSA-N;132.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47619;MM47619;CNCC(=CC=NO)OC;LVZGZYAQFWBFIV-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47620;MM47620;CN(O)C(=O)C(=N)NN;MWLLOIFIUAUDHS-UHFFFAOYSA-N;132.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47621;MM47621;CN(C)C(=O)C(=O)NN;JKHLVPJXRREGMV-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47622;MM47622;CN(N)C(=O)C(=O)NN;VHBHLMVHLQZEGZ-UHFFFAOYSA-N;132.12;-2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47623;MM47623;COC(=O)C(=O)N(C)C;UGNSBLQYRJEDHD-UHFFFAOYSA-N;131.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47624;MM47624;C=CC(=O)C(=C)C(C)O;QKSOHADWCKIBBH-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47625;MM47625;C=C(C(=O)C=O)C(C)O;MEDQUCWXCKHNDH-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47626;MM47626;C=C(C(=O)C#N)C(C)O;PTRJEFBGGHXRTG-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47627;MM47627;CC(O)C(=O)C(=O)C#N;SPWPOSCYWDXJPF-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47628;MM47628;CON=C(NN)C(C)=NN;NYUYPNCFXVJILV-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47629;MM47629;C=C(C=O)C(=O)N(C)O;DEPHSFMSCZYJEK-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47630;MM47630;C=C(C#N)C(=O)N(C)O;PWPIPFHMEGMFCR-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47631;MM47631;C=CC(=O)C(=O)N(C)C;ZEKNDPOWADPLQG-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47632;MM47632;CN(C)C(=O)C(=O)C#N;KCPFTUSLURVHDO-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47633;MM47633;C=CC(=O)C(=O)N(C)O;PHNDNBWRAPIKSJ-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47634;MM47634;C#CC(=O)C(=C)C(C)O;NGVMIGAMFJLCFZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47635;MM47635;C#CC(=C)C(=O)C(C)O;XSJHVTWIIABCNR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47636;MM47636;C#CC(=O)C(=O)C(C)O;NTXFEYOWATVLFL-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15545;MM15545;C#CC(=O)C(=O)C(C)F;UXIKPUFZEUKAQU-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47637;MM47637;CON=CC(=NOC)NN;IQYXPHVEPVEZMN-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47638;MM47638;N=C(N)NC(=O)CF;CTLMQKFYALBMIY-UHFFFAOYSA-N;119.1;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47639;MM47639;C#CC(=C)C(=O)N(C)O;KDYKJVGUVHZSNN-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47640;MM47640;C#CC(=O)C(=O)N(C)C;YWFXRJZCBKZFAE-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47641;MM47641;C=C(C)C(=C)C(=O)CO;WPFINYWRXZSFKM-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47642;MM47642;C=C(C)C(=O)C(=C)CO;CCSSBDCCMNGVJM-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47643;MM47643;C=C(CC)C(=O)C(N)=O;ZFDIDMORBIFGCQ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47644;MM47644;C=C(F)C(=O)C(=C)CO;NUHGDXIFLPNZIC-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47645;MM47645;CC(=O)C(=O)C(=O)CO;VDXSBQXUAVNZQR-UHFFFAOYSA-N;130.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47646;MM47646;N=CNC(=NN)NC(N)=O;OHCIUXBGMFJOIJ-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47647;MM47647;C=NN=CC(=NOC)NN;IPYUOYWXHGAHLV-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47648;MM47648;CC(=NO)C(=NO)NN;QYNBSTRARKHXJH-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47649;MM47649;NC=CC(C#CCF)=NO;FDDGVHUEEVVARO-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47650;MM47650;CON=C(C)C(=NO)NN;KBISZMCMXKUZLG-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47651;MM47651;NCC=NN=CNC(N)=O;AROBUIMCAOVSIH-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47652;MM47652;N#CCN=CN=CNC=N;DCQSPGZIGAMFSK-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47653;MM47653;CNC(=O)C(=O)C(C)=O;RJGOWLBDDSQXMP-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47654;MM47654;C=C(C(C)=O)C(=O)OC;OJSYSSUGQXWWRE-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47655;MM47655;C=C(C(N)=O)C(=O)OC;ASJQBHVQPVMFHG-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47656;MM47656;C=C(C)C(=O)C(=O)OC;NXNDBAPKZIRKIC-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47657;MM47657;COC(=O)C(=O)C(C)=O;QMPAVHOWLGXEAB-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47658;MM47658;C#CC(C)(N)C(O)CF;MOSGGGNMPDSXQK-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47659;MM47659;CC#CC(C=CN)=NO;ABXGBODAFYHASI-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47660;MM47660;C#CC(O)C(C)NCC=C;HZGBENLOCQSBSG-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47661;MM47661;C=C(C(N)=O)C(=O)C#N;KUVPJCALEYHJJL-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16154;MM16154;C=C(C(=O)O)C(=O)C#N;COSNSZMJPAEJQA-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47662;MM47662;C=CC(=C)C(=O)C(C)=O;FZXQRFRWSPSNEJ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47663;MM47663;C=C(C=O)C(=O)C(C)=O;UDFBZQLCYVTJBD-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47664;MM47664;C#CC(C=CN)=NO;NEWOYDJWCOJNAK-UHFFFAOYSA-N;110.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47665;MM47665;C=C(C=O)C(=O)C(N)=O;OEZCQNHHIJGRJF-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16262;MM16262;C=C(C=O)C(=O)C(=O)O;VHIVOBCYBBCHNG-UHFFFAOYSA-N;128.08;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16123;MM16123;C=C(C#N)C(=O)C(=O)O;QZFIDOLEJYHKTR-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47666;MM47666;C=C(C)C(=O)C(=O)C=O;UCQHRQZTNAKXBT-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15965;MM15965;C=CC(=O)C(=O)C(C)=O;ZCRPUWDKDAEPDJ-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-dioxobutanoyl Cyanide";MM02818;CC(=O)C(=O)C(=O)C#N;RMVFFPIOBQULHD-UHFFFAOYSA-N;125.08;-0.76;18719615;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47667;MM47667;COC(=CC#CCO)CN;OQWJQPRESGBGOM-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47668;MM47668;C#CC(O)CN(C)CC;QGECBXJWMBNCIS-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47669;MM47669;NC(=O)C(=O)C(=O)C=O;GMVTUVACXAPHTQ-UHFFFAOYSA-N;129.07;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47670;MM47670;N#CC(=O)C(=O)C(N)=O;IPLMKUKCUTZLKH-UHFFFAOYSA-N;126.07;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47671;MM47671;N#CC(=O)C(=O)C(=O)O;IYBHHICOYKLYJN-UHFFFAOYSA-N;127.06;-1.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47672;MM47672;C#CC(N)CC(O)C#C;WWUFMFYLPYXKJC-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47673;MM47673;CC(N)C#CC#CC(N)=O;XBQXKQJQSJXVLD-UHFFFAOYSA-N;136.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47674;MM47674;C#CC(=O)C(=C)C(N)=O;SGEWPNXKBCBXPB-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16331;MM16331;C#CC(=O)C(=C)C(=O)O;VRVCSBLTERYMBR-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47675;MM47675;C#CC(=C)C(=O)C(N)=O;PBJDOHKUPHSFHR-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16241;MM16241;C#CC(=C)C(=O)C(=O)O;JOPKRBDTOAYELQ-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15963;MM15963;C#CC(=O)C(=O)C(C)=O;CREGIWZOZZVFGX-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47676;MM47676;N=CN(O)C=NNC(=N)N;JNHNUDCPYBNNHG-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47677;MM47677;C#CC(=O)C(=O)C(N)=O;POHMRTFXBFQZSK-UHFFFAOYSA-N;125.08;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16161;MM16161;C#CC(=O)C(=O)C(=O)O;WGHVSDRROIWEIQ-UHFFFAOYSA-N;126.07;-1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47678;MM47678;C#CC(C#C)(CO)C(=N)N;DNKYPKLPWMRBFE-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47679;MM47679;C=NNC(=NO)NCCC;VKWIYGQKICBEII-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47680;MM47680;CON=C(CO)NCCO;KNFRXAGBBNJPLG-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47681;MM47681;CC(N)(CO)CF;QHCNFJYRTJUPPK-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47682;MM47682;C#CC(=C)C(NC)C(C)O;NVSZIBSFQVWXIG-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47683;MM47683;CC(=CF)C(C)C(N)=O;CIRKQVUMPXMTMW-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47684;MM47684;C=CN(O)C(=N)C=NN=C;VTOUINZZZYFTMC-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47685;MM47685;CC(=O)C(C)C(C)=NO;VEVLNLQVKVEMNJ-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47686;MM47686;COC(=NC(C)C)N(C)O;SQNSYRYGRLLJAX-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16530;MM16530;CC(=NO)C(C)C(=O)O;ITFOUYXFOXNRAD-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47687;MM47687;C=C(C)C(O)C(C)=NO;IQBGKQFRLVQLBY-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47688;MM47688;CC=C(C)N(C)C(C)=O;AXMVQIJXOWOURR-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47689;MM47689;C#CC(CO)CN(C)C;MAWOCQWLNNIHPI-UHFFFAOYSA-N;127.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47690;MM47690;C#CCC(=NN)NO;FPFJQZYKMDBLLQ-UHFFFAOYSA-N;113.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47691;MM47691;CC=C(C)N(O)C(N)=O;XLAYLRDUXPXWNU-UHFFFAOYSA-N;130.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47692;MM47692;CC(CO)NCC=CF;BAHOLWWQCICQAY-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47693;MM47693;C=CC(C=CC(C)O)NC;DKOVHGJGTCNPLN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47694;MM47694;N#CCN(CCO)C(=N)N;AQUWVONLFWTEEH-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47695;MM47695;CC(=NO)N(C)C(N)=O;SJSDNZKZQPMAOT-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47696;MM47696;C=CC(C=CCO)NC;YXYJKCIXYGEQHS-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47697;MM47697;CC(F)(CC#N)C(=N)NO;RFKNOSMOYHFNLN-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47698;MM47698;CC(=O)N(N)C(C)=NO;GETLPYNTLSBCCN-UHFFFAOYSA-N;131.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47699;MM47699;CC(=NO)N(N)C(N)=O;DTTWKMHXRNIDRY-UHFFFAOYSA-N;132.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47700;MM47700;CCCC(O)CNCC#N;NUNJYBARRQSFBD-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47701;MM47701;C=C(C)N(O)C(C)=NO;OVOFLNPBBSSSSL-UHFFFAOYSA-N;130.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47702;MM47702;CC=NN(CC=O)C(C)=N;NKADZQQURYIAEG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47703;MM47703;C=CCNCC=CCO;NTHBRHSWIJHXKJ-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47704;MM47704;CC(=NO)N(O)C(N)=O;PDQXGIAOLSEOJJ-UHFFFAOYSA-N;133.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47705;MM47705;CC(=CF)C(=O)C(C)O;KBLKBTOGQWCOLL-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47706;MM47706;CC(=NO)C(=O)C(C)C;SNAKZQGNQQFDCV-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47707;MM47707;C=CC(CCO)N(C)C;VDCWWRQSHSSJHL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47708;MM47708;C#CCC(N)C#CCCO;RVNBDHXUFZYSSF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47709;MM47709;CC=C(C)C(=O)N(C)O;XVMZIZSIOWDHCY-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47710;MM47710;CN(C)C(=O)C(F)=CN;KFQMRRSYLUAYRL-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47711;MM47711;C#CC(C=NN)N=CNO;CAMFOFZWGQMYDO-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47712;MM47712;C#CCC(=O)C(=N)NC=C;GXZDQCKKHFKCGL-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47713;MM47713;C=CC(=NNC(=N)N)OC;VCSRYXFGSMOFEG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47714;MM47714;CCOCC(C=O)N=CN;ALPRLVOIMVAGAF-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47715;MM47715;C=CC(F)C(=NNC)NN;YQOLLUQKZNCPMK-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47716;MM47716;COCC(C=O)N=CN;RKJPSFOCQNLUGQ-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47717;MM47717;CC(=NO)C(=O)N(C)N;RSQREXYLSBQHGS-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47718;MM47718;C=C(C(C)=O)C(C)=CF;GYJASGFASPRFHG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47719;MM47719;CC(=O)C(=O)C(C)=CF;TWZGFOPUJPZDKX-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47720;MM47720;CC=C(C)C(=O)C(N)=O;RZLXFPDGYYXNEN-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47721;MM47721;CC(=O)C(=O)C(F)=CN;SFRDYNZIMIDBTK-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47722;MM47722;C=C(C(N)=O)C(C)=NO;DWIOUWAXTGFDBX-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16473;MM16473;C=C(C(=O)O)C(C)=NO;YXVBMVAWNJGNBQ-UHFFFAOYSA-N;129.12;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47723;MM47723;CC(=NO)C(=O)C(=N)N;SODXNPSKMVSRQZ-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47724;MM47724;CCN(C)C=NNCC#N;BMZFVPAMMNUJBN-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47725;MM47725;C=CC(F)C(=NN)NN;GSPMXTOFZTYOSZ-UHFFFAOYSA-N;132.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47726;MM47726;CC(C)=C(C)C(O)CO;NYEZKCGANPQINX-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47727;MM47727;CC(C)=C(C)C(O)CF;JMKHFWWIALJWCB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47728;MM47728;CC(F)=C(C)C(O)CO;KNUPVCWPAZKZCG-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47729;MM47729;CCCN(C=NNC)OC;JFRCZJQORXYOLB-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47730;MM47730;CN=C(NC=N)C(C)C#N;ASYGBTHMPWLMDW-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47731;MM47731;C#CC(C=O)C(N)=NCC;VJPIIYBGUMZPCK-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47732;MM47732;CC(C)=C(F)C(O)CO;FJJQSRVONHBACJ-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47733;MM47733;CC(F)=C(F)C(O)CO;BSKJLKBCNAXAQK-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47734;MM47734;CC(F)=C(C)C(C)C=O;RFXHPECJJQRPMY-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47735;MM47735;CC(C)=C(C)C(O)C#N;JEHWJXIKYSTQSM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47736;MM47736;CC(F)=C(C)C(O)C=O;MENNFQUPDCUPIR-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47737;MM47737;CC(C)=C(F)C(O)C=O;KIEQGBXTCABGEQ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47738;MM47738;CC(C)=C(F)C(O)C#N;RLRXKVDKWGIBRH-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47739;MM47739;CC(F)=C(F)C(O)C=O;DGYZXEZPFMERNQ-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47740;MM47740;CC(F)=C(F)C(O)C#N;XRFRSUBRMRIDGC-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47741;MM47741;C=CNC(C)=NOC=O;XKXCFDJYHSMXEU-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47742;MM47742;C#CC(O)C(C)=C(C)F;WEYCRTZOAAJLHS-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47743;MM47743;CC(C)=C(C)C(=O)CO;IVYQKXWOBGZYAL-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47744;MM47744;CC(C)=C(C)C(=O)CF;FTNDCACFZRANPF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47745;MM47745;CC(C)=C(F)C(=O)CO;PIDQQVXNAVVTGD-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47746;MM47746;CC(F)=C(F)C(=O)CO;NXVWWJFDEONFFJ-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47747;MM47747;CCC(=O)C(F)=C(N)N;QYNXIYWGKRJVNB-UHFFFAOYSA-N;132.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47748;MM47748;C#CC(=N)NC(C#N)=NC;BMYUIRYTBDVLGZ-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47749;MM47749;CCON=C(NN)OC;KERDVKGSNJCEKH-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47750;MM47750;COC(=NOC(C)C)NN;NMYLLEWWWSXGKZ-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47751;MM47751;CC(F)=C(C)C(=O)NO;ZGNIBXWITNUEDI-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47752;MM47752;CCCON=C(NN)OC;YXYXHZAITLOVFV-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47753;MM47753;C=C(CNC)OCC(C)=O;POOIVRXEVCVKQL-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47754;MM47754;CCN(C=NN)CC;WWPDTDVOUZERTC-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47755;MM47755;C=NN=CCCNC=NN;UBFMEFXOZQHWLH-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47756;MM47756;CNC(=O)C(F)=C(C)N;IINQXKQMAQVTCP-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47757;MM47757;CC(N)=C(F)C(=O)NN;SNRJOHISQDAQTO-UHFFFAOYSA-N;133.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47758;MM47758;CC(F)=C(F)C(=O)NN;RTQDGJZQPVPIQG-UHFFFAOYSA-N;136.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47759;MM47759;CNC(=O)C(F)=C(N)N;YVVGNRBEHULVCY-UHFFFAOYSA-N;133.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47760;MM47760;COC(=O)C(C)=C(C)F;SMDXTTJGFQRLEB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47761;MM47761;COC(=O)C(C)=C(N)N;SGLBGOVIVYIPRT-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47762;MM47762;COC(=O)C(F)=C(C)N;RYABAJFAIPZKIU-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47763;MM47763;COC(=O)C(F)=C(N)N;YXHAFFXHBDFLDC-UHFFFAOYSA-N;134.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47764;MM47764;CC(N)=C(C)C(=O)C=O;CSKLIHSXYRBYJV-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47765;MM47765;CC(N)=C(C)C(=O)C#N;WMLQMMRALZDKJX-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47766;MM47766;C=CC(=O)C(C)=C(C)F;GOLDJTOIDPQHTJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47767;MM47767;CC(F)=C(C)C(=O)C=O;LTLRABSQZFTYRF-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47768;MM47768;CC(C(=O)C=O)=C(N)N;CMDLNNIRKZRJOO-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47769;MM47769;CC(N)=C(F)C(=O)C=O;GFUQBRDWWBKHBU-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47770;MM47770;CC(N)=C(F)C(=O)C#N;DWRWAOPUMKJOTF-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47771;MM47771;N#CC(=O)C(F)=C(N)N;QOBCBQYWXOYRNU-UHFFFAOYSA-N;129.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47772;MM47772;C=CCON=C(NN)OC;PVXGKINSSIJJKW-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47773;MM47773;C#CC(=O)C(F)=C(C)N;XQUHFNMEQRUVBR-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47774;MM47774;C#CC(=O)C(F)=C(N)N;NFXCWCDWRVBDTB-UHFFFAOYSA-N;128.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47775;MM47775;CON=C(NN)OC;ZJUVKWGKESGIDH-UHFFFAOYSA-N;119.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47776;MM47776;CC(=NO)C(F)=C(C)N;OWESRTHWBCECCW-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47777;MM47777;CC(=NO)C(F)=C(N)N;ULEVPVOEWNERRH-UHFFFAOYSA-N;133.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47778;MM47778;C=C(C)C(C=O)N=CN;FIOBHBHFHBMUEL-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47779;MM47779;CCOC(=NOC)NN;PIBAVLSMHJJROP-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47780;MM47780;CC(CF)=C(C)C(C)O;JIYVZGPTOTYWRO-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47781;MM47781;CCCOC(=NOC)NN;AASWPGLRRGQKCU-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47782;MM47782;CN(N)C(=N)C#CCCF;DYRVGQRTTQVBCE-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47783;MM47783;CC(CO)=C(F)C(C)O;TURREHGHCWYBLM-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47784;MM47784;CC(C=O)=C(C)C(C)O;KSPFHWPVGTWTSU-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47785;MM47785;CC(O)C(N)=C(F)C#N;NKQGKRVMLYWJMJ-UHFFFAOYSA-N;130.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47786;MM47786;CC(=O)C(C)=C(C)CO;JIMBZZNYVOVETP-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47787;MM47787;CC(=O)C(C)=C(C)CF;VTNDFALPXHTXBA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47788;MM47788;C=NOC(=N)NC=CC#N;RHEFZMKCZBREHK-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-amino-2-methylpent-2-enoic Acid";MM03324;CCC(N)=C(C)C(=O)O;PIJUAVRGJVOWDG-UHFFFAOYSA-N;129.16;0.71;73818787;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47789;MM47789;CC(=O)C(C)=C(F)CO;JZFQQOGFUDSYNS-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47790;MM47790;CCC(C)=C(F)C(C)=O;SNTKDAIOJPJTIE-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47791;MM47791;CNC(C)=C(F)C(N)=O;VVFNBMOSPJTNKM-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47792;MM47792;CNC(N)=C(F)C(C)=O;CQVZKAFTPAXRAR-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47793;MM47793;CNC(N)=C(F)C(=O)O;RFGZSBVLZDFDMU-UHFFFAOYSA-N;134.11;-0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47794;MM47794;COC(N)=C(C)C(C)=O;NMFICFVODLVWMW-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47795;MM47795;CC(=O)C(C)=C(N)C#N;BIVICSYTHPQGGB-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47796;MM47796;C=C(C)C(N)=C(C)C=O;LVBYATSSVJALNP-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47797;MM47797;CN=C(N)C(=O)NN=CN;PYKGCLGMPCZWJV-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47798;MM47798;CC(C#N)=C(N)C(=O)O;RNHWURWXSPJASO-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47799;MM47799;C#CCN=CN=CNC=N;FOKOFAHAWOUTCW-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47800;MM47800;N#CC(N)=C(N)C(N)=O;KWOZGNYLBIRBLK-UHFFFAOYSA-N;126.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47801;MM47801;CC(=O)C(N)=C(F)C=O;IDTMSOKHMIRXSM-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47802;MM47802;CC(=O)C(N)=C(F)C#N;OCRWAKVPIATFSR-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47803;MM47803;NC(=O)C(N)=C(F)C=O;VJKDZECHOPHMEM-UHFFFAOYSA-N;132.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47804;MM47804;N#CC(F)=C(N)C(N)=O;MYHWCFXRVQPZDB-UHFFFAOYSA-N;129.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47805;MM47805;CC(C#N)=C(F)C(N)=O;TYTDYMHPMXITEG-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47806;MM47806;CC(=O)C(F)=C(N)C=O;CUDIPMASAJBQQJ-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47807;MM47807;CC(=O)C(F)=C(N)C#N;OUINQQOCVZCBDD-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47808;MM47808;CC(C)N=CN=CNC=N;YIAGZFWYGDNVAA-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47809;MM47809;CCCN=CN=CNC=N;MBCUFHSGHZLMRQ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47810;MM47810;C=CC(N)=C(F)C(N)=O;ZWPMVFOOKWTSHW-UHFFFAOYSA-N;130.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47811;MM47811;N#CC(N)=C(F)C(N)=O;APQWQTXKWPQEPM-UHFFFAOYSA-N;129.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47812;MM47812;CON=C(CN)CC=CF;ZOVDKUUMUNAJBK-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47813;MM47813;N#CC(F)=C(F)C(N)=O;FZZXBJSUQCZLQF-UHFFFAOYSA-N;132.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47814;MM47814;C#CCNCC(C)C(C)=O;RRQNPONAGBFXHK-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47815;MM47815;C#CC(F)=C(C)C(N)=O;LYOUDYZEPWYHEE-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47816;MM47816;C#CC(C)=C(F)C(N)=O;RRKUZWYNORJAIZ-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47817;MM47817;C#CC(N)=C(F)C(N)=O;WMJRKPWLRUEOFT-UHFFFAOYSA-N;128.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16310;MM16310;C#CC(N)=C(F)C(=O)O;LFQIZBFFDHRSNE-UHFFFAOYSA-N;129.09;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47818;MM47818;C#CC(F)=C(F)C(N)=O;KJXCDFUVLYHUGC-UHFFFAOYSA-N;131.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47819;MM47819;CNC(N)=CC(=NO)OC;XAQGKPQHRWYFEX-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47820;MM47820;CCNC(=NNC=O)NC;SDMZEVUDMRNDNJ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47821;MM47821;CC(F)C(O)CCCO;ORIRZBVQTUSAKJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47822;MM47822;CC(=CC=O)C(=N)N=CN;SNZVFCCSJXRMON-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47823;MM47823;NNC(=NO)OCC=CF;XSGMPADUBRGGKE-UHFFFAOYSA-N;149.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47824;MM47824;C=C(C)C(=NO)C(C)N;VYTLWYPVIFYBFC-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47825;MM47825;CON=C(NC=O)N(C)N;VSPLJKGYUBRSKM-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47826;MM47826;COCOC(C)C(C)O;XJDYBHULPZNKSG-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47827;MM47827;COCOC(C)C(C)F;WFJVTYKKROSWNR-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47828;MM47828;CC(CC(C)(N)CF)=NO;FWXCXLQZCOGVEN-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47829;MM47829;C#CC(C)(N)CC(C)=NO;GWXOFNJIINUANN-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47830;MM47830;CC(O)C(O)CCC#N;UFBLWXBQPISZIE-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47831;MM47831;CC(O)C(F)CCC#N;XGQGHXCDHJUFRO-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47832;MM47832;C=C(NC=N)C(=NO)OC;AWCJAXSWISEMBY-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47833;MM47833;CC(C)C(O)CNC=O;PDZNCHUDJDIYJA-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47834;MM47834;CC(O)C(C)COC=O;CDVHMOAUQIFPPG-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47835;MM47835;C=COCC(O)C(C)O;PXYYBSCTWAEGHE-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47836;MM47836;C#CC(=C)N(N)C=NO;ZQKBOAKAYIGDOR-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47837;MM47837;CC(=NN=CCN)NC=O;LVXGKUVGUQRDDR-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47838;MM47838;NCC=NN=CNC=O;FNERIAZJMNHGFA-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47839;MM47839;C#CCOC(=NO)NN;GONSJPVQQILLFE-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47840;MM47840;CC(O)C(C)OCC#N;UKPYKQZOVMKIKV-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47841;MM47841;CC(C)C(C)ONC=O;DHLDGXGZYMVMBT-UHFFFAOYSA-N;131.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47842;MM47842;CC(N)C#CC#CCO;LSZQSBGMMOUDDZ-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47843;MM47843;C#CCOC(C)C(C)O;LHGUGZCSHGWFNV-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47844;MM47844;C#CC(C)OC(=NO)NN;AGZAVIRWIGPNIS-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47845;MM47845;C=CC(N)=CC=NO;AKZFJWKYASTTJY-UHFFFAOYSA-N;112.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47846;MM47846;C#CCCOC(=NO)NN;LZZLGHGVWDKPBV-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47847;MM47847;CC(CCCO)C(=O)O;YUCINKYUVOIMER-UHFFFAOYSA-N;132.16;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47848;MM47848;COC(=NO)NN;YLOOEQODCKMQLT-UHFFFAOYSA-N;105.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47849;MM47849;CCOC(=NO)NN;VLTUGWJYORTWNG-UHFFFAOYSA-N;119.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47850;MM47850;C#CC(O)C(C)(C=C)NC;NQIHDOODLNVRBA-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15353;MM15353;C=C(C)C(O)CCCF;AFHHQROASCNVOZ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47851;MM47851;CCCCC(O)C(C)=O;CGEJGVJCYONJRA-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47852;MM47852;COCC(O)C(=N)NC=N;IQMHWYVGMAZMJQ-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47853;MM47853;C=C(F)C(O)CCCO;GGLCIEWBPVIKCU-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47854;MM47854;CC(=O)C(F)CCCF;YMEYETIABSOAMR-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47855;MM47855;O=C(O)C(F)CCCO;IEPOKWVLJQDLEL-UHFFFAOYSA-N;136.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47856;MM47856;C#CC(O)C(C)N(C)C;QBCDYCYKUXDESD-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47857;MM47857;C=CCOC(=NO)NN;HQEMGHUSZPYMGY-UHFFFAOYSA-N;131.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47858;MM47858;CC(C)OC(=NO)NN;PLYRPVNOFVXWBF-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47859;MM47859;C=C(C)COC(=NO)NN;FQGXFMRKUPVOAL-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47860;MM47860;CC(OCCO)C(N)=O;OFZXTEJOFPVRHH-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47861;MM47861;COCOC(C)C(C)=O;VIKFSFGPOILCGK-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47862;MM47862;COCOC(C)C(N)=O;YMXBCTGJJHRUCT-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47863;MM47863;CC=CCOC(=NO)NN;NKCXCJQXMCUKHC-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47864;MM47864;C#CC(C)(N)C(O)COC;VERBQFIXXVUAPU-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47865;MM47865;CCCCN(O)C(C)=O;ANBLVRIGWDGYBI-UHFFFAOYSA-N;131.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47866;MM47866;CC(N)C#CC#CC(C)O;XGZZZFZEGOZTOA-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47867;MM47867;CCCCN(O)C(N)=O;CQQNGRNFZUQLIG-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47868;MM47868;COCCN(C)C(N)=O;KJOHLFWRURKAQP-UHFFFAOYSA-N;132.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47869;MM47869;CC(N)C(C)(F)C(C)O;HDHKZCQCDOYUMU-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47870;MM47870;CC(=O)N(C)OCCF;FCPJCHULTKFDGF-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47871;MM47871;CCCOC(=NO)NN;IZKMUCCUTHNUBX-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47872;MM47872;CCCON(C)C(N)=O;SKJKQDKVYBNWKP-UHFFFAOYSA-N;132.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47873;MM47873;CN(OCCO)C(N)=O;MVXYYUFUCBECMN-UHFFFAOYSA-N;134.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47874;MM47874;CN(OCCF)C(N)=O;ITMBRLKKJIWQGX-UHFFFAOYSA-N;136.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47875;MM47875;N#CC(CO)(CO)C(=N)N;UQTMTPWPUBMTAQ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47876;MM47876;COCON(C)C(N)=O;YPVTZJPSOLXVJM-UHFFFAOYSA-N;134.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47877;MM47877;CC(CCC#N)C(N)=O;SIBXZDOTLROADS-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47878;MM47878;C=CCCC(O)C(C)=O;KTNACFABYKGKJY-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47879;MM47879;C=CC(=O)C(C=O)N(C)C;XBRJCVQCZGAFFJ-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47880;MM47880;C=CCCC(O)C(N)=O;BCKSPEJAQBVBQL-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47881;MM47881;C=C(C)C(F)CCC=O;OLOUBNKVRTXZBN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47882;MM47882;C=CC(O)C(C)(N)CF;YLDFUCKEMSCQFO-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47883;MM47883;C=CCCOC(=NO)NN;IPIRUYFYPXXRIV-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47884;MM47884;CC=NNC(=O)C(N)=NC;PAFIEPUXRCHBII-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47885;MM47885;CCC(C)OC(=NO)NN;OSZCJJKTNDEESM-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47886;MM47886;C=CC(=O)NC(=C)C(C)N;NVTCJWLJFXDPDE-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47887;MM47887;CC(O)C(O)CCN(C)C;OCCPKGJZSMEEDP-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47888;MM47888;CC(C)COC(=NO)NN;KMBKRPXMTFXDKI-UHFFFAOYSA-N;147.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47889;MM47889;C=COCC(C)C(N)=O;VGXJUEWEXHALFZ-UHFFFAOYSA-N;129.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47890;MM47890;C=COCC(O)C(=O)O;LCUBVDYOQXVQTH-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47891;MM47891;CCCCOC(=NO)NN;RNHNNSRJKJBJMF-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47892;MM47892;C=NNC(=O)C(N)=NC;PXNQQJIWFIGRJF-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47893;MM47893;CC#CCNC(=O)NC=N;RIMGDDKMGNFBIK-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47894;MM47894;CC(O)C#CC(N)C(C)C;HLEBSMXRHMVEAB-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47895;MM47895;CN(C)C(CF)=NCC#N;YYMQONWZHYXSHT-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47896;MM47896;CCN=C(C(C)O)N(C)N;OYVIGQODPWDHGT-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47897;MM47897;CN(N)C(=NO)NC=O;XCKBRAYLOHZTKA-UHFFFAOYSA-N;132.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47898;MM47898;CC(N)=CC(C)=NNC=O;AZSJAIGFVGJNNW-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47899;MM47899;CC(=O)C(C)OCC#N;LRRQUPMXSWZWMO-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47900;MM47900;CC(OCC#N)C(N)=O;IBZMEDTUTHLZNO-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16411;MM16411;CC(OCC=O)C(=O)O;YJIIKKUDBBSZPF-UHFFFAOYSA-N;132.12;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47901;MM47901;CC(OCC#N)C(=O)O;GWLZQPWJUCBVAN-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47902;MM47902;NC1C(N)C1O;DMEJBBGSIHLQJD-UHFFFAOYSA-N;88.11;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47903;MM47903;CCN(N)C(CO)=NC;RZFAEEJKOXZFCE-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47904;MM47904;CN(CCC#N)C(N)=O;ALWVUKUHYRPCOB-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47905;MM47905;C=NNC(=NO)NCC;PENFJRVBCUIPOE-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47906;MM47906;C=COC(=C)NC(=N)CO;USLYSNNPRPTXEF-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47907;MM47907;C=CCCN(O)C(C)=O;JIIRZIWSMMWYAX-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47908;MM47908;C=C(CO)OC(=CC)CN;BVUJMINJTQKTJL-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47909;MM47909;CC=NNC(=NO)NC;VVUGMHWTWSUNSL-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47910;MM47910;C=CCCN(O)C(N)=O;PKQRFIAANMRVIQ-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47911;MM47911;N#CCCN(O)C(N)=O;LZEVAGGMGCICLS-UHFFFAOYSA-N;129.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47912;MM47912;C=NN(C)C(=NO)NCC;WSLCRVDIEAFKMK-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47913;MM47913;CN(NCC#N)C(N)=O;DDLXKBQYSLYGML-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47914;MM47914;CCC(C)(O)CN=CNN;PVYFUVVERCGFAT-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47915;MM47915;C=CCNC(C)=NO;IDRHAZJKKREZJH-UHFFFAOYSA-N;114.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47916;MM47916;C=CCON(C)C(N)=O;KJELLXLHPZTLTK-UHFFFAOYSA-N;130.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47917;MM47917;CN(OCC#N)C(N)=O;HTXMBGFGYXWFNC-UHFFFAOYSA-N;129.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47918;MM47918;C#CCCC(O)C(=O)O;PKXWMAGZVOBKLF-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47919;MM47919;C=CC(O)C(C#N)NCC;JMQLWDUJAOGYPW-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47920;MM47920;C#CCOC(C)C(N)=O;XLQYRWCYOURMOP-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-prop-2-ynoxypropanoic Acid";MM03517;C#CCOC(C)C(=O)O;ASOPQMMSXAFJQU-UHFFFAOYSA-N;128.13;0.11;14743312;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47921;MM47921;C=NNC(=NOC)N(C)N;OKMQILYCFREJPV-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47922;MM47922;C#CCCN(O)C(C)=O;KMKGXCOATFHIQQ-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47923;MM47923;C#CCON(C)C(C)=O;JJJMIWXSQLYLPQ-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47924;MM47924;CC(O)C(=O)CCCF;RXBSCLQLGDAOCF-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47925;MM47925;CC(F)C(=O)CCCF;HKYVJXSINHBJOH-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47926;MM47926;C=CN(N)C(CO)=NOC;PKBKTXGIVMMIOA-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47927;MM47927;C=NN=C(NO)OCCN;URAJBRVABYUFGB-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47928;MM47928;CC(N)=C(CO)C(=N)NO;OFARPZTUSKEQCF-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47929;MM47929;C#CC(CO)N(C)C=NC;DQRCKBAUTKJSSA-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47930;MM47930;CNC(=O)N=CN(C)C;OTNUXOAWSKKLNH-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47931;MM47931;CC(C)C(=O)NCCF;QZFJBVXXFZDRSH-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47932;MM47932;N=CNC(=NN)NO;UMCPPSGSMOOFRL-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47933;MM47933;C=C(OCCO)C(C)O;YRSISIVWWKINBP-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47934;MM47934;C=C(OCOC)C(C)O;CHVOHEJJAAAGON-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47935;MM47935;COCOC(=O)C(C)O;ZKWBZXZFSBKZDF-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47936;MM47936;CC(C)=CN(O)C=NC=N;DFFQEJJKROLAKG-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47937;MM47937;C#CC=C(CO)N(N)C=N;LIJGPYSZWMYRCC-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47938;MM47938;CCOCC(=O)N(C)C;OIJWUFJSHBGNPP-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47939;MM47939;C=C(C)NC(=NN)NO;NDQDAWBSTAONLK-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47940;MM47940;CC(O)CN(C)C(=N)C=O;MGHDKHSSPMUJLJ-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47941;MM47941;CCCNC(=O)N(C)C;LZJHACNNMBYMSO-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47942;MM47942;CNC(=O)N(C)C=N;DINAQDSMJZIHBV-UHFFFAOYSA-N;115.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47943;MM47943;CCCNC(=O)N(C)O;SOTOQKGKRLQFDL-UHFFFAOYSA-N;132.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47944;MM47944;CCNN=CNN=CNO;KFEYWEVOOYGRQS-UHFFFAOYSA-N;145.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47945;MM47945;CCNNC(=O)N(C)O;CWQUMOWSPYNLDT-UHFFFAOYSA-N;133.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47946;MM47946;NC=NNC(C=O)CO;SXBLFUPGJJNPGB-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47947;MM47947;CON(C=CCO)C=NN;KBEYGNAKEFYTLF-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47948;MM47948;CCCOC(=O)N(C)C;ZXQJLRQAYKMYDN-UHFFFAOYSA-N;131.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47949;MM47949;CN(C)C(=O)OCCO;STMLNVLDMRLNNZ-UHFFFAOYSA-N;133.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47950;MM47950;CN(C)C(=O)OCCF;SOTDAAAIWGTCNW-UHFFFAOYSA-N;135.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47951;MM47951;CCCOC(=O)N(C)O;WUGXIZBRANVOBT-UHFFFAOYSA-N;133.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47952;MM47952;COCOC(=O)N(C)C;MOGAUXQUXIDABM-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47953;MM47953;C=CCCC(=O)C(C)O;OFBHVIVGNNHDFZ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47954;MM47954;CC(O)C(=O)CCC#N;RGLLFQCSRVOEQX-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47955;MM47955;C=C(CNC=O)C(C)O;BTSCIUBOGBIJJE-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47956;MM47956;C#CC(=O)C(CC#N)NC;ROZUSRSDOFWKPF-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47957;MM47957;CCC(=O)C=CC(=N)NO;MUMMKIHIUKXSBV-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47958;MM47958;CC(C)C(=O)COC=O;SJKIELSWVCMMTR-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47959;MM47959;C=COCC(=O)C(C)F;XQAYRPYVYZCZSY-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47960;MM47960;C=C(NC=N)C(N)=O;XMORAZMLRRPOOB-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47961;MM47961;C#CC(=O)N=CN(C)C;JWZQXTWOADEPJH-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47962;MM47962;CC(F)C(C=O)NN=CN;ARLPCVGKUIPQTG-UHFFFAOYSA-N;147.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47963;MM47963;CC(C)C(=O)NCC#N;QVYPZVBISIHLQV-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47964;MM47964;C=CCNC(=O)C(C)O;JQDYNPXBPRMQQJ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47965;MM47965;CC(F)C(=O)NCC#N;MIMHCCFPPLWYBU-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47966;MM47966;N#CCNC(=O)C(F)F;QGPBCNIUUKYCDG-UHFFFAOYSA-N;134.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47967;MM47967;CC(C)C(=O)NN=CN;XEVDGCUDONWCIF-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47968;MM47968;C#CC(CN(C)C)C(N)=O;ISHDYPIFELIDIQ-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47969;MM47969;CC(O)C(=O)NN=CN;SPXXWGVGOZHGTJ-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47970;MM47970;CC(F)C(=O)NN=CN;KOOJZOPSANTREP-UHFFFAOYSA-N;133.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47971;MM47971;CC(O)C(=O)NOC=O;BYQSTKHSBWECCG-UHFFFAOYSA-N;133.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47972;MM47972;C=C(OCC=O)C(C)O;PGNDTJVTIHMDJZ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47973;MM47973;C=C(OCC#N)C(C)O;BAWAARCPLUJLFY-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47974;MM47974;CC(C)C(=O)OCC#N;RSSGQXCMIDDIQV-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47975;MM47975;C=CCOC(=O)C(C)O;CYFIHPJVHCCGTF-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47976;MM47976;CC(O)C(=O)OCC#N;PQQLJUPNNRUAHV-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47977;MM47977;CC(C)C(=O)ONC=O;PESJTHGMSVKJBZ-UHFFFAOYSA-N;131.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47978;MM47978;CC(F)(F)C(N)C#CCN;HYCMKMXXHBJRBV-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47979;MM47979;CC(C=O)N=C(N)CC=O;ZQDLEIARVSWUJQ-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47980;MM47980;CC(N)(C=CCCO)CF;DKPYXYOMBSPOIR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47981;MM47981;C=CCCC(=O)N(C)O;UFTFKRVPNZWOTD-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47982;MM47982;COC=CC(C=O)N=CN;AMCFRWVMBZCOGF-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47983;MM47983;N=CN=CNC=N;FXPYFSXHSNFPTF-UHFFFAOYSA-N;98.11;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47984;MM47984;C=COCC(=O)N(C)C;OXKBGFZZSYRXQU-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47985;MM47985;C#CC(NC)C(C)C(C)=O;UGBLZIWZDAKFLA-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47986;MM47986;C=COCC(=O)N(C)O;JGGQJNRISFSORT-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47987;MM47987;C=NN=C(COC)NN;BZDPUIGOGRKFEV-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47988;MM47988;C#CC(C(=N)NN)C(C)F;QUPRHXPHXFPKEY-UHFFFAOYSA-N;143.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47989;MM47989;CN(C)C(=O)NCC=O;XFLZFKRWPSTNKN-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47990;MM47990;CN(C)C(=O)NCC#N;JGKFLVXYUKQWLC-UHFFFAOYSA-N;127.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47991;MM47991;C=NNC(C#CCN)CF;OMAFJTMUNCUNJO-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47992;MM47992;C=CCNC(=O)N(C)O;ZQHKTBXDGXCRIQ-UHFFFAOYSA-N;130.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47993;MM47993;CN(O)C(=O)NCC#N;KXLMGSBTEAEQQH-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47994;MM47994;CN(N)C(=O)NNC=O;PKPPUAPEFVDXKB-UHFFFAOYSA-N;132.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47995;MM47995;C=C(C#N)NC(=N)C=CN;TUWAPJGVCNBVHY-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47996;MM47996;N=C(N)C(=O)C#CCCF;GAKCCUBXPQINRH-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47997;MM47997;N#CC(N)=C(C=O)C(=N)N;CTUJAZZAPQJUHT-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47998;MM47998;CN(C)C(=O)NOC=O;VOJPKKBTMUFKBF-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM47999;MM47999;C#CC(NC=N)C(=N)NN;ZJXLVPAJAZEJNB-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48000;MM48000;C=NNC(C)(C)C#CCN;BPUZIMKGGQAUEH-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48001;MM48001;CN(C)C(=O)OCC#N;DNGSJAVLBDTSLA-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48002;MM48002;C=CCOC(=O)N(C)O;VBIHTZLMKHWZLK-UHFFFAOYSA-N;131.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48003;MM48003;C=NN=C(COCC)NN;GFSXINXANWBSCF-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48004;MM48004;C=NN=C(NN)C(C)OC;KGBYRNNYMTXPFJ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48005;MM48005;CN(O)C(=N)ONC=O;ZBFVDSTVTGVMEQ-UHFFFAOYSA-N;133.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48006;MM48006;CN(C)C(=O)ONC=O;BFLKJAYXLNZPSM-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48007;MM48007;CN(N)C(=O)ONC=O;NAPSUQNZKSPDPR-UHFFFAOYSA-N;133.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48008;MM48008;NN=CC(=NN)NN;GZLLANLILZGGBV-UHFFFAOYSA-N;116.13;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48009;MM48009;C#CCOC(=C)C(C)O;FETIFXCWBBVQCV-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48010;MM48010;C#CCOC(=O)C(C)F;FGUCNOJSKNYNRO-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48011;MM48011;C=CC(C)(F)C(=NN)NN;JXVWSNJCDDWWBI-UHFFFAOYSA-N;146.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48012;MM48012;C#CCCC(=O)N(C)O;BVBFCFFKCZNCGW-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48013;MM48013;C=CN(C(=N)N)C(=O)NO;IOKNHXSSCVHROG-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48014;MM48014;C#CCNC(=O)N(C)C;NABKXCLVIQJWTD-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48015;MM48015;NCC(F)C=CC=NO;RJZCDBYFNRRQNV-UHFFFAOYSA-N;132.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48016;MM48016;C#CCOC(=O)N(C)C;QIWQNZRMFIXSIG-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48017;MM48017;C#CCOC(=O)N(C)O;JVLHYAXYVFFVEE-UHFFFAOYSA-N;129.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48018;MM48018;C=C(CCCF)C(C)=O;RNBVCAMSTPCHRF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48019;MM48019;CNC(=N)C(O)C#N;BFYCIHKMBZGSLB-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48020;MM48020;C=C(CCCO)C(=O)O;XPOKDUGZEKOMRB-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48021;MM48021;C=C(C)C(=O)CCCO;UGIINGCPUGTBGH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48022;MM48022;C=C(C)C(=O)CCCF;BGGFSJSJPKHCCK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48023;MM48023;CC(=O)C(=O)CCCO;ZCNSRUTVLQWVEU-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48024;MM48024;O=C(O)C(=O)CCCF;PKJPKDDIJZVSME-UHFFFAOYSA-N;134.11;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48025;MM48025;C=C(F)C(=O)CCCO;FIIVCBMURNUZRH-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48026;MM48026;CN(C=O)C(=NC=O)NN;UERFORQSZGCNTH-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48027;MM48027;N=C(N)NN=C(N)NC=O;MNELVNRIIBHDCB-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48028;MM48028;CN(N)C(=N)NC=O;VONZPHKJNOFNJJ-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48029;MM48029;COCCC(=O)C(C)=O;DGCIFAWKIDKEIQ-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48030;MM48030;CC(NN=CN)C(=O)NN;KVYSMXHIDUSVBN-UHFFFAOYSA-N;145.17;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48031;MM48031;C#CC(O)C(N)C=COC;RDYXCRKWIOYNJH-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48032;MM48032;C#CC(N)CC#CCO;TWUAAYLIQARHLL-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48033;MM48033;C#CC(C)(N)C(O)C(=C)C;LXGFBTQRUQMQDT-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48034;MM48034;C#CC(NC)C(C)(O)C=C;MUBGXTIDAWRUHR-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-ethoxy-2-oxopropanoic Acid";MM03385;CCOCC(=O)C(=O)O;XJBCBELOXZTCOR-UHFFFAOYSA-N;132.12;-0.32;21398363;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48035;MM48035;CCCNC(=O)C(N)=O;JRLSMZWMBPJXED-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxo-2-(propylamino)acetic Acid";MM03406;CCCNC(=O)C(=O)O;HHQMZOFGKZVJDE-UHFFFAOYSA-N;131.13;-0.4;15761643;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48036;MM48036;CNC(C)C#CC(C)(C)O;YOAIHAMTDMDQRN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48037;MM48037;C=C(CN)OC=C(F)CO;XBYQMCDGRWOKGW-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48038;MM48038;C=C(F)C(=O)NNCC;AFPQPNSWQDDSJN-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48039;MM48039;C=C(OCCC)C(N)=O;XRNANENVXNBJAQ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48040;MM48040;C=C(OCCF)C(N)=O;ILQWSDIDFWDACL-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48041;MM48041;C=C(C)C(=O)OCCO;WOBHKFSMXKNTIM-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48042;MM48042;CC(=O)C(=O)OCCF;QUGSKGGKFXXDHP-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48043;MM48043;CCCOC(=O)C(N)=O;XJUSRAJAEPIPIY-UHFFFAOYSA-N;131.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(methoxymethoxy)prop-2-enoic Acid";MM03475;C=C(OCOC)C(=O)O;CPJDSOHKKQOJPI-UHFFFAOYSA-N;132.12;0.21;55301410;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48044;MM48044;CC(N)C(C)(F)CO;RRZXTAQVIQQZHP-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48045;MM48045;C=CCCC(=O)C(C)=O;XSNSACOEHDODIS-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxohex-5-enoic Acid";MM03454;C=CCCC(=O)C(=O)O;SRSUTBIWADPHRS-UHFFFAOYSA-N;128.13;0.61;54321116;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48046;MM48046;C=CC(=O)NC(=C)CNC;OBWDYOORJWPYMS-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48047;MM48047;COC(=NC=N)NCCF;FGURACKNRVADBT-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48048;MM48048;CC=CNC(=O)CNC;MEJXDKZYLWSAGM-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48049;MM48049;CCCC(N)C(F)CO;FQFWGLKLBJIHTJ-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48050;MM48050;CCNCC#CCO;ALRSSAAEXWEWEP-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48051;MM48051;C=C(COC=O)C(C)=O;WPBYTHXZKNFTIP-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48052;MM48052;C=C(C)C(=O)COC=O;CQFFIEORGCQVIZ-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48053;MM48053;C=COCC(=O)C(C)=O;ACXCITQRMZXGAA-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16315;MM16315;C=COCC(=O)C(=O)O;WZJYRANLCALJAT-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48054;MM48054;C=COCC(=O)C(=C)F;JJBDSMZOIYXHHT-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48055;MM48055;C#CCNCC(C)(O)C=C;WPAQFRUOERSKNB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48056;MM48056;C#CC(N)CC#CC(C)O;VBYGIOANQPWFQH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48057;MM48057;C#CC(C)(CO)NCC;UYPBMROVFAPHDY-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48058;MM48058;C=C(C)C(=O)NCC#N;VWMLWEYHEYQJLO-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48059;MM48059;N#CCNC(=O)C(N)=O;KDEXZRQKTCPSQE-UHFFFAOYSA-N;127.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48060;MM48060;C=C(F)C(=O)NCC=O;BZWVRACYSSZOBS-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48061;MM48061;C=C(C)C(=O)NN=CN;IKNVGLOTCILGQX-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48062;MM48062;CC(=O)C(=O)NN=CN;ISWHKQIFBSHDRE-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48063;MM48063;C=C(C)C(=O)NOC=O;BNOTYAXSWFRPMD-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48064;MM48064;C=C(C)C(=C)OCC=O;KYIMRZRBHFFDNK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48065;MM48065;C=C(OCC=O)C(C)=O;ANTFZZVNMHXSEI-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48066;MM48066;C=CCOC(=C)C(N)=O;YMGSZBZQFZEAIE-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48067;MM48067;C=C(OCC=O)C(N)=O;AGGKMLHEXDQQNZ-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48068;MM48068;C=C(OCC#N)C(N)=O;LKCJBNAHTGOUEO-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16366;MM16366;C=C(OCC=O)C(=O)O;DSYFVWJEROUDSK-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16088;MM16088;C=C(OCC#N)C(=O)O;PNMJLDKNYDQSTF-UHFFFAOYSA-N;127.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48069;MM48069;C=C(F)C(=C)OCC=O;ORCCLBAKXHCSFV-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxoethyl 2-methylprop-2-enoate";MM02452;C=C(C)C(=O)OCC=O;HEHFACLCDJDCJN-UHFFFAOYSA-N;128.13;0.3;22134245;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48070;MM48070;CC(=O)C(=O)OCC#N;LBNUPDJXGUBVKZ-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48071;MM48071;N#CCOC(=O)C(N)=O;NJTLTALDIXBMMJ-UHFFFAOYSA-N;128.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxo-2-prop-2-enoxyacetic Acid";MM03241;C=CCOC(=O)C(=O)O;QSAJCKLJOZVKDL-UHFFFAOYSA-N;130.1;-0.2;10953537;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48072;MM48072;N#CCOC(=O)C(=O)O;VQYVNAIUOPNRFI-UHFFFAOYSA-N;129.07;-0.86;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48073;MM48073;C=C(F)C(=O)OCC#N;WGTOXKPWASTWCY-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48074;MM48074;C=C(C)C(=O)ONC=O;NEEVIMDYMPGZPZ-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48075;MM48075;NC=NOC(=O)C(=O)O;VXOAIDWOFWRGNF-UHFFFAOYSA-N;132.08;-1.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48076;MM48076;C#CCCC(=O)C(C)=O;ODJJNABLRFTINZ-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48077;MM48077;C#CCN=C(N)C(=O)O;WBYWGOWHVDQBKT-UHFFFAOYSA-N;126.12;-0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48078;MM48078;C#CCNC(=O)C(=C)F;VZHMHCGQSPYULM-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48079;MM48079;C#CCOC(=C)C(N)=O;BXJSLPXGFULWCX-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16379;MM16379;C#CCOC(=C)C(=O)O;GYMWBXGJALAVDR-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48080;MM48080;C#CCOC(=O)C(C)=O;SWMSMJLCSDMJFX-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48081;MM48081;C#CCOC(=O)C(=O)O;ZHEYGWOJJYSGKR-UHFFFAOYSA-N;128.08;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48082;MM48082;C=NNC(=NC=N)N(C)C;GISRPIIXWANYFQ-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48083;MM48083;C#CCNC(C)(C)CO;PXWCAHDDELMHSQ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48084;MM48084;C=CC(C)NC(=NN)NO;NQLYTKVOANOONS-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48085;MM48085;C=C(CC)NC(=NN)NO;PTFDDOLKCLNVBF-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48086;MM48086;C#CC(=O)OC(=N)NOC;LXTYPTOLDSYVJA-UHFFFAOYSA-N;142.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48087;MM48087;CC=C(F)CC(=N)NO;BEPIRASBKREIRF-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48088;MM48088;CC(=O)C=CC(=N)NO;WHLHADAMCGKZSV-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48089;MM48089;C#CCOC(=NOC)NN;YUTUAWGLYXVADQ-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48090;MM48090;CC=NNC(C)C(=O)O;HTZPUJLLJDMKRO-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48091;MM48091;CC=CCN(C)C(N)=O;RPNIWYXTBRUPBD-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48092;MM48092;CN(CC=CF)C(N)=O;IRRVUBSSXDGPSO-UHFFFAOYSA-N;132.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48093;MM48093;C#CCON=C(NN)OC;VEOQWAIQJZFDET-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48094;MM48094;C#CC(=C(C)C)C(N)CO;UVXCIOSOSXTUSY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48095;MM48095;CON=C(NN)OC(C)C;ZPILZMFMCOZLIF-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48096;MM48096;CC(=O)N(O)CC=CF;PKQUYXQKBJJDLL-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48097;MM48097;CC(=NNC(=O)CO)NN;VESGQHNJBXIHFT-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48098;MM48098;CC=CCN(O)C(N)=O;OACAWZJMEWJSMZ-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48099;MM48099;CN=C(OCCO)N(C)C;XCZCDRJJQSHWBI-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48100;MM48100;NC(=O)N(N)CC=NO;NULJYGLJEGLTJL-UHFFFAOYSA-N;132.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48101;MM48101;NC(=O)N(O)CC=NO;JPTHJOHKTNYWRU-UHFFFAOYSA-N;133.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48102;MM48102;CCC(=O)NN=C(C)NN;DARNENQOTBFOCZ-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48103;MM48103;C=CN(O)C(=N)C=NO;QNSHFPKYHMNFFI-UHFFFAOYSA-N;129.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48104;MM48104;C=CC(=O)NN=C(C)NN;SXHKUOAUMZFGQX-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48105;MM48105;C#CC(N)C(C=C)C(C)O;NAOIVXXNLVDMGN-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48106;MM48106;C=C(CN)OC=CC(C)O;OQLCDGXLXDYVQU-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48107;MM48107;C=C(C#CC)N(N)C=NO;QBSIKUMEJGLFNX-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48108;MM48108;CC(=CC(C)O)CN(C)C;CUTARDUPFXUBJB-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48109;MM48109;CC(C)C(=O)CC=NO;DHMNJNNLXXGKQE-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48110;MM48110;CCN(O)C=NCC#N;YLNZNESAOLMEAJ-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48111;MM48111;C#CC(N)CC(C)(C)O;LSTHRFFRKJFEHL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48112;MM48112;C=NNC(=NO)NC;HIZGQXNMTSEVSX-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48113;MM48113;CC(O)C(=NOC=O)NN;HJQBDOGWWMRCSW-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48114;MM48114;C=CC(O)C(C)NCC#N;PWFCEVFILFCOGO-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48115;MM48115;CC(N)C#CC#CCCO;LAMBMWIGJNAQOZ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48116;MM48116;CC(C)C(=O)NC=NN;DTJYHHPXBWCPPQ-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48117;MM48117;CN=CNC(=O)C(C)F;MYMSEXMKFORYGO-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48118;MM48118;CN=CNC(=O)C(F)F;QRVUBHQBEGTMJT-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48119;MM48119;C=CC(F)(C=CCO)CN;SLNGRDRAMBHDRB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48120;MM48120;C=C(CC)N(O)C=NC=N;UBSTVHSDFCOSSY-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48121;MM48121;CC=NNC(=O)C(C)O;JVTHMCZTOFWCBC-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48122;MM48122;CC(O)C(=O)OC=CF;SNMGGJOVBZDASS-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48123;MM48123;CCC(F)(CCO)CNC;VXOQDLMUCAJUHI-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48124;MM48124;C#CC(CO)N=CN(C)O;LFMAVDQZJFMVGP-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48125;MM48125;C=C(OC=NO)C(C)O;FJZTWJMZBYFTDM-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48126;MM48126;CCN=C(C#CC=O)NO;DBGXRJDAFBBZLK-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48127;MM48127;CC(C)C(=O)OC=NO;NVIRJCFCQNGMJN-UHFFFAOYSA-N;131.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48128;MM48128;C=CC1(CO)CN1C;ZUGSJORLGGTGEA-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48129;MM48129;CON=CC(=N)N(C)O;GBAPEPQSKYEXDT-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48130;MM48130;N=CN(CC=O)C(=N)C=O;BIYYDJKFFZNFLY-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48131;MM48131;CC(NN=CN)C(N)=O;ZLHHDMFDZQIDFH-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48132;MM48132;N#CCOC=NNC(=N)N;YIHOCDTWTVUTIB-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48133;MM48133;CC=CNC(=O)N(C)C;IIGCYQPNZRSCLY-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48134;MM48134;CC=NN(C=N)CC(C)O;TZRCKQOBHNUWQQ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48135;MM48135;CC=CNC(=O)N(C)O;KLVWSMLVVQQXLQ-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48136;MM48136;C#CC(F)C(=NN)NN;VZISAWJAXTZTDJ-UHFFFAOYSA-N;130.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48137;MM48137;COC=NN=C(CF)NN;VYLNKHCDVONXKF-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48138;MM48138;CNN=C(NC)OC=O;AVWSCJZFCBGGDV-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48139;MM48139;C#CC(N)C(C#C)CF;KIBJKXOPSLFPFO-UHFFFAOYSA-N;125.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48140;MM48140;C#CC(C#C)NC=NN;XRSKNKRYDAAMJC-UHFFFAOYSA-N;121.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48141;MM48141;C=CCN=CNC(=N)C#N;SZGDICIEEYVTTN-UHFFFAOYSA-N;136.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48142;MM48142;C#CC(=NOC)NN;KLNAFFOHVHLLRD-UHFFFAOYSA-N;113.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48143;MM48143;CC=NNC(=O)N(C)C;JMXYRCJJQYAAKC-UHFFFAOYSA-N;129.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48144;MM48144;C#CC(=NOCC)NN;JPAZPPLPSONPOQ-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48145;MM48145;CC=NNC(=O)N(C)O;ZYUOIBHBZHYHQG-UHFFFAOYSA-N;131.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48146;MM48146;CNCC(F)CC#CC#N;IGNBQCFUCVISET-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48147;MM48147;C#CC(C)(C#CCN)CO;FJPVFLRHPVWDBT-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48148;MM48148;C#CC(=NOC(C)C)NN;WZTZCVKCKVLPMZ-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48149;MM48149;CC(CC=O)N(C)C;XCKJQIUGMHOOSE-UHFFFAOYSA-N;115.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48150;MM48150;CN(O)C(=N)OC=NO;QBSGLPBUMNNROJ-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48151;MM48151;C#CC(=NOCCC)NN;DXNVUKCUPKVCDJ-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48152;MM48152;CN(C)C(=O)OC=NO;YBDMGZINLBNSGE-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48153;MM48153;CCN=C(CC#N)NC=N;KNJIJMWTMBGHRO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48154;MM48154;C#CC(=O)C(C)NN=CN;YLAVHNRMYOYLLT-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48155;MM48155;C=C(CC=NO)C(N)=O;PWRWLGKRKVZMIN-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48156;MM48156;CC(=O)C(=O)CC=NO;LIKVALCXHMYSBI-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48157;MM48157;C=C(NC=NN)NC=NN;ZVCYWOOHPHNCQU-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48158;MM48158;C#CC(=O)NN=C(C)NN;OCRXIOJOSOAGNH-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48159;MM48159;CC(=O)C(=O)NC=CF;HITXSSGDBWKDFE-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48160;MM48160;C=CC(=NO)C(=O)C(=N)N;GPHDGTCDWAZAFQ-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48161;MM48161;O=C(O)C(=O)NC=CF;DZYFXMBVBFMVPD-UHFFFAOYSA-N;133.08;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48162;MM48162;COC(=N)NC=CCC=O;ZCYTYKRBGRURSW-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48163;MM48163;CC(=NNC(=O)NN)NN;IVWNMAIDCZRZNX-UHFFFAOYSA-N;146.15;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48164;MM48164;CC#CC(=NN)NC(C)=N;JUZSNKULIYGTCB-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48165;MM48165;CC(F)CC(=N)NC=NN;XCTOGMBGDUDHCV-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48166;MM48166;C=C(OC)C(=N)NC=NN;FPRXLXRUPJDAAK-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48167;MM48167;CNN=CON=C(C)CN;FLUNNIPUKFLIRJ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48168;MM48168;CC(=O)C(=O)NC=NO;SAVJFVVXDZIVAA-UHFFFAOYSA-N;130.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48169;MM48169;O=C(O)C(=O)NC=NO;BOZPVHNWCXEMOU-UHFFFAOYSA-N;132.08;-1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48170;MM48170;NN=CC(C=NN)=NO;UTJNHOFGTURZGW-UHFFFAOYSA-N;129.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48171;MM48171;CNCC(=CC=O)C(C)=O;QVAKITVHQPUUEY-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48172;MM48172;CC=NN=C(N)C(=O)O;SYXUKKAQVSKONE-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48173;MM48173;CC=NNC(=O)C(C)=O;SJNOWMMCLFYYLA-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48174;MM48174;N=C(N)C(=NN)C(=N)N;PAELNJDUZIVDLY-UHFFFAOYSA-N;128.14;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48175;MM48175;CC=NNC(=O)C(N)=O;UYODFAXOEHMNPW-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48176;MM48176;CC=COC(=O)C(C)=O;BLEDNJQCRBHVRU-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48177;MM48177;C=C(OC=NO)C(C)=O;POIJNACLSWTGEC-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48178;MM48178;N=C(N)C(CF)=NN;KSMHEZRJLJEYES-UHFFFAOYSA-N;118.12;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48179;MM48179;C=C(OC=NO)C(N)=O;PRZRZRRMHYBICE-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48180;MM48180;C=NNC(C)C#CCN;KTJBBHNSKQQUGB-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48181;MM48181;NN=COC(=O)C(=O)O;BMNLLMRJICGVMZ-UHFFFAOYSA-N;132.08;-1.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48182;MM48182;CC=NOC(=O)C(N)=O;WIQXYWFGEDXMON-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16187;MM16187;CC=NOC(=O)C(=O)O;TUADGDUAZGXNNI-UHFFFAOYSA-N;131.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48183;MM48183;CC(C)C(=NNC=O)NN;YUJHYYMHAREYTE-UHFFFAOYSA-N;144.18;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48184;MM48184;C=NNC(C#CCN)CC;LOTFDEOULMFTSP-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48185;MM48185;C=C(F)C(O)CC#CC;ZKDSSTWZKCAZAJ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48186;MM48186;C=CC(=N)NOC(C)=NO;HYNNSNBECFTSJW-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48187;MM48187;CC(C)C(N)C#CC=NO;BIMSASUFGNQUPE-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48188;MM48188;CC#CCN(O)C(N)=O;JAPBKQYUBYLGRA-UHFFFAOYSA-N;128.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48189;MM48189;CNC(=N)C(C)(O)C#N;VRLLIVWAPHVIPV-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48190;MM48190;C=CN(N)C(=NO)OC;AZDJJBFELIWAOE-UHFFFAOYSA-N;131.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48191;MM48191;CC(O)C(F)C=CCO;AHMLHBRQUSVRHM-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48192;MM48192;C=CN(N)C(=NO)OCC;OILKIBRHRDXBFP-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48193;MM48193;N#CCNC(=O)NC=N;XWWRAXNLJWUYHB-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48194;MM48194;C#CC(C)(N)C=CC=NO;DPGRIAZULJZZPW-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48195;MM48195;C#CC(O)(C#C)C(C)NC;PDKUDHAAFKFVFG-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48196;MM48196;CC(=NO)NCC=CC#N;MHRLUIHCGKZVNZ-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48197;MM48197;C=NNC(=NO)N(C)N;OAPMGMHZEFNOKO-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48198;MM48198;CC(F)C(C)C=CC=O;PHFYULSUUGQNGD-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48199;MM48199;CC=NNC(=NO)N(C)N;CWRQFBIQDMBYDE-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48200;MM48200;CNC(=NO)NN=CNO;PXWJVEYFYUCKDK-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48201;MM48201;CC(O)C(O)C=CC#N;OAXLUYRLMHGIDX-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48202;MM48202;CC(F)C(O)C=CC=O;CDZLAMVDSRMZCG-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48203;MM48203;CC(CN)=NN=CNC=O;JBYVPCNPSQMDNC-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48204;MM48204;C=NN=CC(O)C(C)F;NRWIHNXMSIBUQG-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48205;MM48205;CN=CN(C)N=CC#N;URBYZIABYFPNAR-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48206;MM48206;C#CC(O)(C#C)CNCC;VHZSKNFQRIFJJG-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48207;MM48207;C#CC=CC(O)C(C)O;KTHGADVRJTUCAI-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48208;MM48208;CC(=O)C(C)C=CCO;ONYZNLLITUEZBE-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48209;MM48209;CC(=NO)N(C)CCO;NEZSCTGFAGBJLE-UHFFFAOYSA-N;132.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48210;MM48210;CC(=O)C(O)C=CCF;IIBCJWILUPUBRI-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48211;MM48211;CC(=O)C(F)C=CCO;JESBBZBXPPZZGK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48212;MM48212;NC(=O)C(F)C=CCF;HEDPQQNTXAEZPC-UHFFFAOYSA-N;135.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48213;MM48213;CCNC(=NO)NC(N)=O;ODXQOUIXNPAVOQ-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48214;MM48214;COCCN(C)C(C)=NO;LBVCWJARCKKDNV-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48215;MM48215;C=NN(C)C(=NO)NC;MUXHGBXYWVUONL-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48216;MM48216;CC(O)C(C#N)N(C)C;KSRGIOQHQPSENV-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48217;MM48217;CC(N)C#CC=NNC=O;GGTQJUMNCBTFAJ-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48218;MM48218;C#CC(C)(O)C(N)COC;AZXNMAJAFFJBTI-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48219;MM48219;C#CC(C)(N)C(O)C=CF;KVYFKYJSWCNZTJ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48220;MM48220;C#CC(C)(N)C(O)C=C;LKBZVXKWQSWLKR-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48221;MM48221;CC=CN=C(CO)NN;HQRPHDXFVFNTSN-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48222;MM48222;CN(C=CCF)C(N)=O;QALPBHHGSPROAS-UHFFFAOYSA-N;132.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48223;MM48223;C#CC=CN(O)C(C)=N;JIAGEDQXHWWEMS-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48224;MM48224;C#CC(C)(N)CO;VBFKHVWKOWZXLZ-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48225;MM48225;CCC(CO)=NN=CNN;WVIZHGLBYXZNPZ-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48226;MM48226;CCC=CN(O)C(N)=O;FHKUZSNTJPNPKP-UHFFFAOYSA-N;130.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48227;MM48227;COC=CN(C)C(N)=O;NIFMVKVFNAYZGN-UHFFFAOYSA-N;130.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48228;MM48228;CCOCCN(O)C(C)=N;JYIYQULTHPKJPU-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48229;MM48229;C=NOC(C)C(C)(N)CO;RYKDXPPJKCHUFV-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48230;MM48230;C#CCN=C(NN)N(C)O;YYBSITDTBRHYSA-UHFFFAOYSA-N;142.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48231;MM48231;CC#CCN=C(NN)NO;JKEDFIZBYUCUHT-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48232;MM48232;CC=CN=CNC(=N)NO;ZYIQMYARWIVSNR-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48233;MM48233;C=C(F)CC(=N)NO;GHEINCNBTJRBFI-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48234;MM48234;C=C(C#CC)C(N)CO;DFJGZHPKBVFOJP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48235;MM48235;C#CC(=CC)C(N)CO;CFFYACNLHHYPOY-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48236;MM48236;CNN=CN(O)C(N)=O;BEOFTPMGVARLTM-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48237;MM48237;COC(C)CN(C)CCO;YXBOZZSTCDZOAU-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48238;MM48238;CC#CC(CCO)NC;BPFZMFUMFXOLSM-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48239;MM48239;CC(O)C=NN=CNN;GKHDXZNDMVSHMB-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48240;MM48240;CN=C(NO)NC(=N)C#N;HANNHQCCAAHDPZ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48241;MM48241;N=C(N)NN=CN(N)C=O;GMUOFSJPZQNHLP-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48242;MM48242;C=C(F)C(C)C=CC=O;IDEHCMGAKGEXLH-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48243;MM48243;CC(=O)C(O)C=CC#N;QRNADABZDUOLEW-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16491;MM16491;C=CC=CC(O)C(=O)O;FCOCXNFEELKVTO-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48244;MM48244;CN(O)C(=N)C(C)(C)F;PERCJMAMGJGFGJ-UHFFFAOYSA-N;134.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16528;MM16528;C=NN=CC(C)C(=O)O;XUUVLDHYMVENJZ-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48245;MM48245;C=NN=CC(O)C(C)=O;DDWLXHXDIACWSX-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48246;MM48246;C=NN=CC(O)C(N)=O;GYLCMLOZWRLZGP-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48247;MM48247;CC(=O)N(C)C=CC=O;YLKNQFMTFOJNIE-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48248;MM48248;CC(=O)N(C)C=CC#N;GOYLXPZNJLMYCR-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48249;MM48249;CN(C=CC=O)C(N)=O;SCKYWXFUCSDBNO-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48250;MM48250;CN(C=CC#N)C(N)=O;BAPXLFOARONZNS-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48251;MM48251;C#CC(C#CCN)C(C)O;LQQXHAYIQBFDOQ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48252;MM48252;COC(=CCCCO)CN;TYVPMDZWLCBWNE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48253;MM48253;C=CC=CN(O)C(N)=O;PIJCUPZJNOZIIA-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48254;MM48254;CC=CNC(=N)OCC=O;QPYQMYFGBDNDLJ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48255;MM48255;N#CCNN=CNC=N;RIEJKXZWMCLNLC-UHFFFAOYSA-N;125.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48256;MM48256;CC(C#N)N(C)CCO;DOPBLIQKIGWLGU-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48257;MM48257;CCC(C=O)NN=CN;QLUCCBWLLTYXEW-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48258;MM48258;C#CC(F)C(=NNC)NN;VMTKBFTYSUGQMJ-UHFFFAOYSA-N;144.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48259;MM48259;CC(C)C(C=O)NN=CN;STVVYOXKTYIROM-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48260;MM48260;C=C(C)N(O)C=NC=O;LKWIDUFLIFZCTH-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48261;MM48261;N#CC(=N)NCCCC=O;KBULVAIYICWHMC-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48262;MM48262;CC(=O)C(C)NN=CN;RGXRTIDZPHZACO-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48263;MM48263;N=CN=CN(O)C(N)=O;LLMLGYGFMKQASJ-UHFFFAOYSA-N;130.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48264;MM48264;C=NNC(=N)NCCC#N;KTXQPDJSRLMAEY-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48265;MM48265;C#CCC(=N)NN=COC;POYBSYILDVCBQW-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48266;MM48266;COC(=NN=CNN)OC;SUCNGZDYFUSUHU-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48267;MM48267;COC=NNCC#CCN;HKSYCJSHABJAAX-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48268;MM48268;C#CC(CF)OC(=C)CN;YYKJIMFDCXRFLP-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48269;MM48269;C#CC(=NN=CNN)OC;MXPRXLOHWXUHLC-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48270;MM48270;CN(N=CC#N)C(N)=O;VGUSXWFWMWUSMM-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48271;MM48271;C#CC=CC(O)C(C)=O;YFQFORJAERWSIA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48272;MM48272;C#CC=CC(F)C(N)=O;BUEZHNGIFVBQNO-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48273;MM48273;C#CC=CN(C)C(N)=O;GBDKQBSCIZMHKZ-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48274;MM48274;C=CC(=NN=CNN)OC;LNTVYPNNDVMPJW-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48275;MM48275;C#CC(=NN)NC(=N)CC;AZQJEXLSSWVUBX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48276;MM48276;COC=NN=CNN;GCGKECQIYNDKHT-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48277;MM48277;COC(C)=NN=CNN;IHUMPWUXBFLDHB-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48278;MM48278;CCOC=NN=CNN;LVLCUBRIXSGVRB-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48279;MM48279;CC(C)OC=NN=CNN;GXSULPZXFZNWLJ-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48280;MM48280;CC(O)C(=O)C=CCF;DSXGHXNLUPBNFD-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48281;MM48281;CNC=CC(=O)C(C)C;SIOXOYJMTAXAHR-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48282;MM48282;CNC=CC(=O)C(C)F;PHHDJHXRDQMMMZ-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48283;MM48283;CCOC(C)=NN=CNN;GHOZMOFWRZYECF-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48284;MM48284;CN(C=N)C=NN;GNKVFAWKWZIKFA-UHFFFAOYSA-N;100.13;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48285;MM48285;COC=CC(=O)N(C)O;WECGQCPXOQYXGN-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48286;MM48286;C=NNC=C(C)C(=N)C=O;QPJODOLHMJRHHV-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48287;MM48287;C#CC(F)C(N)C#CCN;IYUDRLUFALQJPH-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48288;MM48288;NCC#CCNN=CCF;WDBYMHWATOZFOP-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48289;MM48289;C=NNCC#CCN;WMDYFKRLLFBNTD-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48290;MM48290;CC(O)C(=O)C=CC=O;NFDUHTIWSCMVFM-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48291;MM48291;CC(O)C(=O)C=CC#N;WQZQRHLJFAWSPJ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48292;MM48292;C=NN=CC(=O)C(C)O;QUQHZDBBHYLORN-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48293;MM48293;CN(O)C(=O)C=CC#N;WEWXZVYRWVRMTF-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48294;MM48294;C=COC(C)=NN=CNN;CWRPCHHKZDHHTP-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48295;MM48295;C=NN=CC(=O)N(C)O;XCAUTIWGMYYQLX-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48296;MM48296;C#CC=CC(=O)C(C)O;KBACENNAEGIXKH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48297;MM48297;CCC(=NN=CNN)OC;IPOIVCZUPZPYGB-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48298;MM48298;C#CC=CC(=O)N(C)O;COVWBGZQACICCN-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48299;MM48299;C=C(C)C(=O)C=CCO;GFZUPCDMUHCJHY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48300;MM48300;CC(=O)C(=O)C=CCO;ZHPPSSWNSHSVLH-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48301;MM48301;C=C(F)C(=O)C=CNC;ATPCBHRKFHMBFB-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48302;MM48302;CC(N)C#CCOC=NO;OVZJVLPVFAPSKS-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48303;MM48303;COC=CC(=O)C(N)=O;NTPINPPGXYVJBI-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48304;MM48304;CNN=CC(=O)C(N)=O;HXFPCGTUNONQCQ-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48305;MM48305;C=C(C=CC#N)C(C)=O;WUMGJCOJTIQJHM-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48306;MM48306;C=C(C)C(=O)C=CC#N;LVRANNXDABDDBF-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48307;MM48307;N#CC=CC(=O)C(N)=O;DKRIKDJELXNNMX-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16122;MM16122;N#CC=CC(=O)C(=O)O;ZJCJVJIJFAGZGJ-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48308;MM48308;CC=COC=NN=CNN;OXZULXSIWOZAMN-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16477;MM16477;C=NN=CC(=C)C(=O)O;KTPATMCYNNNOJR-UHFFFAOYSA-N;126.12;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48309;MM48309;C#CC=CC(=O)C(N)=O;YWIDDCHMDFSBQL-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48310;MM48310;CC=NOC=NN=CNN;PJOFACZKDYGDRR-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48311;MM48311;CC(F)C=NN=CNN;RCCGDMZKUYWSNJ-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48312;MM48312;CCC#CC(O)C(C)O;VCKPUUPQWOAXQL-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48313;MM48313;CCC(C)NCC(C)=NO;KGFCWCFTMRNQJY-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48314;MM48314;CC(F)C(O)C#CCO;KCOZQUVDXBVPTQ-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48315;MM48315;CC(F)C(O)C#CCF;PSRAXPGMENHXQX-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48316;MM48316;C#CC(C)=NN=CNN;DDBWYHUCMXBOAJ-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48317;MM48317;C=CC(=NO)C(C)N;IFKSTEUJTMXVFF-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48318;MM48318;CC#CC=NN=CNN;WBZFZSLJXGDSCL-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48319;MM48319;CC(O)C(F)C#CCO;HERBRMZEGDMMIB-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48320;MM48320;CC(C)=NN=CNN;RTSIVIUEJVBWIY-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48321;MM48321;C=CC#CC(O)C(C)O;CXBDJZHWERTJNJ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48322;MM48322;CC(O)C(O)C#CC#N;APJZLCIQBNLEPZ-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48323;MM48323;CC(F)C(O)C#CC=O;QLQDBUJKMZZFKL-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48324;MM48324;O=CC#CC(O)C(F)F;RJDOCMVBRZBMIN-UHFFFAOYSA-N;134.08;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48325;MM48325;N#CC#CC(O)C(F)F;BMRHIDYWPBFBST-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48326;MM48326;CC(O)C(F)C#CC=O;IVEIHOCZRBWRTE-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48327;MM48327;CC(CF)=NN=CNN;HAYODWNWSYVBEB-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48328;MM48328;C=CC(C)=NN=CNN;SZICWTWOENVJTH-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48329;MM48329;CC(C#CCF)C(N)=O;QQPXQALOVKPOMS-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48330;MM48330;CC(C#CCO)C(=O)O;YGJCJAVNSQSYAO-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16322;MM16322;O=C(O)C(O)C#CCF;PYBPVCQNUKCXFZ-UHFFFAOYSA-N;132.09;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48331;MM48331;C=C(F)C(O)C#CCC;CANZCVNXQQIHTK-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48332;MM48332;C=C(F)C(O)C#CCO;CRVJWBAJFXLLGU-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48333;MM48333;COCC=NN=CNN;RLDBZXWGWBOKNQ-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48334;MM48334;NC(=O)C(F)C#CCF;XBBLUYVICUOXAZ-UHFFFAOYSA-N;133.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16305;MM16305;O=C(O)C(F)C#CCO;OOLBDIWKQNZYKV-UHFFFAOYSA-N;132.09;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48335;MM48335;COC(C)C=NN=CNN;PVERJNRBOCTBRT-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48336;MM48336;NC=NNCC(=O)NN;OFIQFIOJOWDZME-UHFFFAOYSA-N;131.14;-2.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48337;MM48337;CC(C#CC=O)C(N)=O;WGWXDLOXDLGCHT-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48338;MM48338;CC(C#CC#N)C(N)=O;LIFJOPRPYDKBEE-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48339;MM48339;C=C(C)C(O)C#CC=O;YNZNRCJUXVSPAH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48340;MM48340;C=CC#CC(O)C(C)=O;OUYITVNPTCKGBN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48341;MM48341;CC(=O)C(O)C#CC=O;KGKBERJMHUJAQO-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48342;MM48342;CC(=O)C(O)C#CC#N;HRGGVQSWVYSUTF-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16347;MM16347;C=CC#CC(O)C(=O)O;DKNRRFKZFOMUAB-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48343;MM48343;N#CC#CC(O)C(=O)O;XCVJOWLPRGPCEQ-UHFFFAOYSA-N;125.08;-1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48344;MM48344;C=C(F)C(O)C#CC=O;KZXPWWUNOLSTGW-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48345;MM48345;C=C(C=NN=CNN)OC;IPTVGMIRUVGIEN-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48346;MM48346;C=CC#CC(O)C(N)C=C;IMDXPWJORKWIAM-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48347;MM48347;CC(C#CCN)C#CCO;NESOHMZPNPQJOY-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48348;MM48348;NC(=O)C(F)C#CC=O;MEMUMHGOWJWBMU-UHFFFAOYSA-N;129.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48349;MM48349;N#CC#CC(F)C(N)=O;DEFNMRRHMQUGHZ-UHFFFAOYSA-N;126.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16224;MM16224;O=CC#CC(F)C(=O)O;XKYLQUGBVOFRJS-UHFFFAOYSA-N;130.07;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48350;MM48350;CNN=C(C(=N)N)C(C)O;SERDCTSLRDHYHD-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48351;MM48351;C#CC#CC(O)C(C)=O;UQZZGNFZYTXNBJ-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48352;MM48352;C#CC#CC(O)C(N)=O;ZOFKNAVZIFEPDQ-UHFFFAOYSA-N;123.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48353;MM48353;C#CC#CC(O)C(=O)O;OHPZOVQOWATXRN-UHFFFAOYSA-N;124.1;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48354;MM48354;CC#CC(C)(N)C(C)O;HCGFCEBMGSECLH-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48355;MM48355;C=C(C#CCO)C(C)O;JSIQDKOWGMROLQ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48356;MM48356;O=C(C#CCO)C(F)F;IOJYEWGRVAYGDS-UHFFFAOYSA-N;134.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48357;MM48357;COC=CC=NN=CNN;BOOMAHRJATVIBW-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48358;MM48358;CCC#CC(N)(CC)CO;IJKIDKJTDYVWPO-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48359;MM48359;CCC#CC(=O)N(C)O;TWVYJJNJKPMENL-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48360;MM48360;CN(O)C(=O)C#CCF;ZOZRRVSGRVOJKH-UHFFFAOYSA-N;131.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48361;MM48361;C=C(C#CC=O)C(C)O;SJUDUAHJEIDWEH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48362;MM48362;C=CC#CC(=O)C(C)O;QBSCBJRGNBYJLW-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48363;MM48363;CC(O)C(=O)C#CC=O;BULMTZBYTHLMKB-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48364;MM48364;CC(F)C(=O)C#CC=O;CBMAWRXKPQWSPV-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48365;MM48365;CC=NN=CNN;ZTCCYWMMLQITDS-UHFFFAOYSA-N;100.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48366;MM48366;CN(C)C(=O)C#CC=O;ZAXLYJAJMGRNCC-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48367;MM48367;C=CC#CC(=O)N(C)O;YSYRHIFKVCIPMO-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48368;MM48368;CN(O)C(=O)C#CC#N;UHBGRBFZODEVAV-UHFFFAOYSA-N;124.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48369;MM48369;C#CC#CC(=O)C(C)O;LYTVLQVJAGBTHS-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48370;MM48370;C=C(C(C)O)N(N)C=NC;COUIBRGJVKMXJM-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48371;MM48371;C#CC#CC(=O)N(C)C;UDKUDWDRRPGKSZ-UHFFFAOYSA-N;121.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48372;MM48372;C#CC#CC(=O)N(C)O;JDOAXWXYEKVVMD-UHFFFAOYSA-N;123.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48373;MM48373;C=C(C#CCO)C(C)=O;RKDREXLSEHCYHO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48374;MM48374;C=C(C#CCF)C(N)=O;VLHUONRPGCDIMZ-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16360;MM16360;C=C(C#CCO)C(=O)O;DRGVZHCXUBXKQZ-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16364;MM16364;C=C(C#CCF)C(=O)O;WYSNYFBATFGNLC-UHFFFAOYSA-N;128.1;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48375;MM48375;C=C(C)C(=O)C#CCO;DVDKCIQNUZXIFL-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48376;MM48376;CC(=O)C(=O)C#CCO;DAVMLYSWZZBRRM-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48377;MM48377;CCC#CC(=O)C(N)=O;BBMZQYLTHZALES-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16172;MM16172;O=C(O)C(=O)C#CCF;AFFJNOKWCDHKTJ-UHFFFAOYSA-N;130.07;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48378;MM48378;C=C(F)C(=O)C#CCO;SSGJVAMDQWPUDZ-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48379;MM48379;C=C(C#CC#N)C(C)=O;GIFVMHNRGJYGEW-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48380;MM48380;C#CC(=NCCNC)NO;ZYKCPSZMTVTBFF-UHFFFAOYSA-N;141.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48381;MM48381;C=C(C#CC=O)C(N)=O;CCUZGOSMARBVJG-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48382;MM48382;C=C(C#CC#N)C(N)=O;CBERHCRACKUFTK-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16290;MM16290;C=C(C#CC=O)C(=O)O;STGWQBFXFYUSIZ-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48383;MM48383;C=C(C)C(=O)C#CC#N;BQODODKGTUCZHB-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48384;MM48384;C=C(C)N=CNC(=N)NO;JVRKZAASVLOAAM-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48385;MM48385;C=CC#CC(=O)C(N)=O;JMTLKSDJNMHRNB-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48386;MM48386;NC(=O)C(=O)C#CC=O;BAEWZTTTYFOKAJ-UHFFFAOYSA-N;125.08;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48387;MM48387;N#CC#CC(=O)C(N)=O;FLEFHERBBIGTDH-UHFFFAOYSA-N;122.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16181;MM16181;C=CC#CC(=O)C(=O)O;VYEOFUKDJPITQW-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16141;MM16141;O=CC#CC(=O)C(=O)O;HARVGFDXKLMMDX-UHFFFAOYSA-N;126.07;-1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16092;MM16092;N#CC#CC(=O)C(=O)O;XELJWKRTHPAQRL-UHFFFAOYSA-N;123.07;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48388;MM48388;C#CC#CC(=O)C(N)=O;ANTQSWFMTGTSAT-UHFFFAOYSA-N;121.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16142;MM16142;C#CC#CC(=O)C(=O)O;QJUKNZGFGFIPMR-UHFFFAOYSA-N;122.08;-0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48389;MM48389;CN=C(N)C(C)=O;ACYSIAMPTYZYPL-UHFFFAOYSA-N;100.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48390;MM48390;C=NOC(=NC)NN;WDSOERIMIURVMR-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48391;MM48391;C#CC(=NOCOC)NN;GSOMJHWUEBHECC-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48392;MM48392;C=C(C=O)C(C=CN)=NO;KEWFEHVGRAHSBN-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48393;MM48393;CN=C(C=CCC#N)NO;ZWNMONVCXCYMJA-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48394;MM48394;CC(=O)NN=CON=CN;HGUYHAMSFGZSSJ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48395;MM48395;C=C(C)C(NC)C(=C)CO;RYLOVVSNLIHJGS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48396;MM48396;CNCC#CC(F)=CCO;VMXDGFGMFYSLLW-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48397;MM48397;CC(=CNC=O)C(F)F;QQFLNMUOQUJAJQ-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48398;MM48398;CC(O)C(F)=COC=O;ORIDOWMSPGNMDV-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48399;MM48399;CNC(=NC=NN)NOC;WVLKTFLNTOCDHV-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48400;MM48400;CN(O)C=NC(=NO)NN;NHBZEWOFGQBTJY-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48401;MM48401;CC(=NNC=O)C(C)F;NAGGGXVTKJGMGE-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48402;MM48402;C=C(OC)N(N)C=NO;HYWDNFCAQGLKKZ-UHFFFAOYSA-N;131.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48403;MM48403;C#CCNCCCO;VQHDWRSARRFYDF-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48404;MM48404;CC(=NNC=O)N(C)O;NEVQUDGGCVVZJW-UHFFFAOYSA-N;131.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48405;MM48405;CNN=CNC(=N)C=NO;SJWMPBXKQYFLAW-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48406;MM48406;CC=CN(N)C(=NO)OC;NSYAYOLHYKZZCU-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48407;MM48407;CC(=O)C(C)=CCCO;HJRPCNVPVJOQFJ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48408;MM48408;CC(=CCCO)C(=O)O;DWHJJLTXBKSHJG-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48409;MM48409;CC(=CCCF)C(=O)O;SKVCXLKHIYXVDD-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48410;MM48410;C=NN(C)C(=NO)N(C)N;PLXJEEOFCCFCRV-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48411;MM48411;CCC=NNC(=NO)NC;SSIRANGAHSEBSP-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48412;MM48412;COCC=C(F)C(N)=O;PONNTUBEVOCDAT-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48413;MM48413;CCNC=C(C)C(C)=O;GALLCKKSUSUZEF-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-(ethylamino)-2-methylprop-2-enoic Acid";MM03468;CCNC=C(C)C(=O)O;LUDKPHCQRWNEHI-UHFFFAOYSA-N;129.16;0.58;76540443;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48414;MM48414;C#CC(=NC=O)N(O)C=N;SOZXNIVGNDOXDT-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48415;MM48415;CCNN=C(C)C(=O)O;PPZGTQQRRLDRSG-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48416;MM48416;CNC(=O)ON=CNN;BKIYIQUFGGAXKS-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48417;MM48417;CNC(=NC=O)NN(C)C;ULDDWZQRJDPQBZ-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48418;MM48418;NCCON=CC(F)F;UWBMUWYWVBWFQI-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48419;MM48419;C=C(F)C(C)=CCC=O;IAGUEXUPTZZNBF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48420;MM48420;C=C(C)C(F)=CCC=O;RIDKGPZPAGENDH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48421;MM48421;CNN=CN(O)C=CCF;SXFXLNBOLABVQF-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48422;MM48422;N#CCC=C(F)C(N)=O;ZFUDUFDIQWDESE-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48423;MM48423;CC(=O)C(C)=CNC=O;SGDIMTOUNSOVLD-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48424;MM48424;CCN(O)C(C=NN)=NC;YGJWRVKADMWPMA-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48425;MM48425;O=CNC=C(F)C(=O)O;LJUKCOCOQJDKAR-UHFFFAOYSA-N;133.08;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48426;MM48426;CON=CNN=CNO;MTSCXPGREZHRNR-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48427;MM48427;C#CC(C#CCN)CCO;MCKSLBIKJMMVDE-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48428;MM48428;CN(N)C(=O)CNN=CN;WEYIRZLNYXRMAR-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48429;MM48429;CC(=O)C(C)=COC=O;RGZONAAESKMEBQ-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48430;MM48430;CCCNC(=O)N(C)C=N;MLPKWYMFNXAXGF-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48431;MM48431;C#CC(=O)CNCC(=C)F;JDWGWXPCNONHPW-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48432;MM48432;CN(C=NN)C=NC=O;XRVYWSQJJUOQHY-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48433;MM48433;C#CCN(C=NN)CC#C;GJHGSJFKRUXESW-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48434;MM48434;CC=CNC(=NN)NOC;WKTXGVVZUJYZSG-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48435;MM48435;C=CCNN=CNC=N;LICBRZTXLWSWEA-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48436;MM48436;CC(O)C(F)=CC=NO;GQNNNVFVFAKKGA-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48437;MM48437;CC=CCNN=CNC=N;DZLWGNQSJGONPV-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48438;MM48438;CN=C(NN)ON=CCF;UQHXDIZFEJSMJV-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48439;MM48439;CC(=NC=NO)N(C)C;LDKKYJMYZXHDSJ-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48440;MM48440;CC(=NC=NO)N(C)N;BMTQDRBMFPMQRQ-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48441;MM48441;CCNC(C)(C)C(C)=O;ZAPVZDSWFYQYIU-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48442;MM48442;CC(=NC=NO)N(C)O;VWCNOUFWDWOOFF-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48443;MM48443;CN=C(NN)ON=C(C)C;AUXJIIINBBYMSV-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16508;MM16508;CC(=CC=NO)C(=O)O;WDWCWKHDPPDWRE-UHFFFAOYSA-N;129.12;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48444;MM48444;C=CC=NOC(=NC)NN;YGPPJQGHZKWXKN-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16287;MM16287;O=C(O)C(F)=CC=NO;WBTJDMGNGNZBKU-UHFFFAOYSA-N;133.08;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16450;MM16450;CC=NN=C(C)C(=O)O;CPRUGALVBZORGG-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48445;MM48445;CC(C)=C(F)CCCF;ZAGNYCOHOUPGNM-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48446;MM48446;CC(F)=C(C)CCC=O;CQJZNBMPEXRGNR-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48447;MM48447;CC(OCC#N)=C(F)F;WXUWPCUUQGTTDN-UHFFFAOYSA-N;133.1;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48448;MM48448;CC(F)=C(C)C#CCO;WSTYZPFETBUDJI-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48449;MM48449;CC(C)=C(C)C#CC#N;HVQVVCYZLYECFR-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48450;MM48450;CC(F)=C(C)C#CC#N;HYSORKGSYZCSBM-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48451;MM48451;OCC(O)CCCCF;NJWDSKFQKHVEEN-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48452;MM48452;CC=NOC(=NC)NN;QWQDJQVJNPHJRG-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48453;MM48453;C=CC(C)NN=CNC=N;MUQJYJZTEFJBBQ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48454;MM48454;CCC=NOC(=NC)NN;ZVRZHQTXPVCHMY-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48455;MM48455;CC(CO)COCCO;HNWQQCRYLYGKKW-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48456;MM48456;CCCOCC(O)CO;ZTKZJXGLCCVMLJ-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48457;MM48457;CCC(F)COCCO;FPFLVMPSFNOYTP-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48458;MM48458;COCOCC(C)CO;NKOJWXXPFRSMNV-UHFFFAOYSA-N;134.18;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48459;MM48459;CCC(O)COCOC;TVDNKFZCLKKMHE-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48460;MM48460;COCOCC(F)CO;HVAVTPREGOSKRA-UHFFFAOYSA-N;138.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48461;MM48461;COCOCC(C)OC;RHRLCMQZGVPEDU-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48462;MM48462;COC(C)OCCCO;UFHPWRAHIUBBKW-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48463;MM48463;COCCOC(C)OC;DJQSATBHYNCSLD-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48464;MM48464;CCOCOC(C)CO;FJHQLAMUSYCSNT-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48465;MM48465;O=CCCCC(O)CF;LVMHKEVDNWNIKD-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48466;MM48466;N#CCCCC(O)CF;DTKKUHWZLPCBKO-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48467;MM48467;CCC(O)CCNC=O;GCQLZARFDLWQKY-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48468;MM48468;N#CCCCNC(=N)C#N;JNFVTRIFTTVDKT-UHFFFAOYSA-N;136.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48469;MM48469;CC(C)(C)NN=CNC=N;UADMGIHGUHQFTH-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48470;MM48470;CCC#CC(=NOC)NN;FPAWPYQCJXBPJO-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48471;MM48471;CC#CC(=NOC)NN;QHNXTUZKXDIJMC-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48472;MM48472;CC(CO)COCC#N;GTRLGHDGUGXTLQ-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48473;MM48473;CC#CC(=NOCC)NN;HTUAZFTXAJNEMX-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48474;MM48474;CCC(O)COCC=O;GZQPROHFLRLTHD-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48475;MM48475;CCC(O)COCC#N;SQBAWRJFUVEYFB-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48476;MM48476;C=CCOCC(O)CO;PAKCOSURAUIXFG-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48477;MM48477;C=CCOCC(O)CF;HNTCKQGTXMUZFJ-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48478;MM48478;N#CCOCC(O)CF;PBKYJYAHHIMRSF-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48479;MM48479;N#CCOCC(F)CO;MUZJEMGJDMFHFU-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48480;MM48480;N#CCC#CC(=O)C(=N)N;APCFDUXUGZAZIU-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48481;MM48481;COC(C)COCC=O;JJFNCKSAZCZKKM-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48482;MM48482;COC(C)COCC#N;BGYIBSXFAXDFSY-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48483;MM48483;CC(CO)OCCC#N;WZNFLFFETFXIQH-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48484;MM48484;COC(C)OCCC=O;WWXWMGXRIJJFBO-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48485;MM48485;COC(C)OCCC#N;ZZMFCLGPPQQKBL-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48486;MM48486;C=COCOC(C)CO;PEWSTQOVCPPWIH-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48487;MM48487;CC(CF)OCOC=O;DVUYTFCMFBXZKW-UHFFFAOYSA-N;136.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48488;MM48488;C=CCCNC=NN;YUSWWCLGZFKOFO-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48489;MM48489;C=COCOC(C)OC;DVQQFXCKQYNGCR-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48490;MM48490;CCNCCNN=COC;IHWDBRGCRJOIQY-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48491;MM48491;C#CCCCC(O)CO;PDOIBDQJVAZWQY-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48492;MM48492;C=C(C=NO)N(N)C=NO;GLECSBHLFARVGS-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48493;MM48493;COC=CC(C=NO)=CN;ZVWWRQMOKUYPMA-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48494;MM48494;CC#CC(=NO)NN;ALCTXHMTHLJGSN-UHFFFAOYSA-N;113.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48495;MM48495;CCNN=CC(=NC)NC;MPPSORQRBGWLGM-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48496;MM48496;O=CC(O)CCCCF;WXUANLGHGJJJKP-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48497;MM48497;N#CC(O)CCCCF;XLAJLBLVDVEILP-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48498;MM48498;O=CC(F)CCCCO;BJXOMXOIOOQRGH-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48499;MM48499;C#CCC(F)(CN)COC;YESIBGTZWODCIP-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48500;MM48500;C=CC(C=CC(C)=O)NC;AXEOXLQCPNCZLY-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48501;MM48501;CCOCCC(O)C#N;BECALTYYLZBVMK-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48502;MM48502;CCC#CC(=NO)NN;VDRGODQLUHTYGJ-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48503;MM48503;CCCC#CC(=NO)NN;VXEORRVXQWNDKO-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48504;MM48504;CC(C=O)COCCO;FXFSYIFKSWIMRT-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48505;MM48505;CC(C#N)COCCO;KZUUREALWALEEI-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48506;MM48506;CCCOCC(O)C#N;QOYYYBZWXUHKIY-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48507;MM48507;N#CC(O)COCCO;MDVZGZRCBIKRQS-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48508;MM48508;N#CC(F)COCCO;RJOSFLDRDUBMGX-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48509;MM48509;COCOCC(C)C=O;DZKLLIBOPNIHNH-UHFFFAOYSA-N;132.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48510;MM48510;COCOCC(O)C#N;NSZVRPIRLXPYFO-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48511;MM48511;C=CC(F)COCOC;MRNDAIOMZDBQSK-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48512;MM48512;CC(C#N)OCCCO;GXSHMPBFGGJRNO-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48513;MM48513;COCCOC(C)C=O;AJLXABIKOPSYSI-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48514;MM48514;COCCOC(C)C#N;WILCBFNNYBOTNE-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48515;MM48515;N#CC(=CCF)C(=N)N;WNCWGNWDWWNHNA-UHFFFAOYSA-N;127.12;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48516;MM48516;COCCON(C)C=O;VWVMTJQMMKJMFR-UHFFFAOYSA-N;133.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48517;MM48517;C=CC(C#N)(CF)C(=N)N;GDLNFAUWNRDGDQ-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48518;MM48518;N#CC(O)CCCC=O;BNTCNYOLOZXVTA-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48519;MM48519;N#CCCCC(O)C#N;GPSMBEQYCNMPHF-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48520;MM48520;CC(C#N)CCNC=O;RDTFGFIPJAPJPF-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48521;MM48521;N#CC(F)CCNC=O;QKDGMZWGEPOKDC-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48522;MM48522;CNC(=NO)NC(N)=O;FSOPJUYDGMASOJ-UHFFFAOYSA-N;132.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48523;MM48523;C=CC(O)CCOC=O;BQJSSXMKNUJTIG-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48524;MM48524;C=COCCC(O)C#N;SNYOUCXQKJUXQX-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48525;MM48525;N#CC(F)CCOC=O;URDYXNQJCSUCCS-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48526;MM48526;C#CC(C)(O)C(C=C)NC;VKPDEJYUUMJFQF-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48527;MM48527;C#CC(O)C(=NOC)NN;BZFQGJXQAYKTJZ-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48528;MM48528;CNC(C)(C#N)CO;ITTBXHXWIKEKAN-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48529;MM48529;CC(C=O)COCC=O;OSNFUCANMDTJIY-UHFFFAOYSA-N;130.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48530;MM48530;CC(C=O)COCC#N;HZVHKBOEIJKLOA-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48531;MM48531;CC(C#N)COCC=O;LLVBSCVHNGMZRT-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48532;MM48532;CC(C#N)COCC#N;JJXRETGNXMPFJV-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48533;MM48533;C=CC(O)COCC#N;NHDHVFZRPHJXJX-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48534;MM48534;C=CCOCC(O)C#N;SQVCCLCZLYBXOC-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48535;MM48535;N#CCOCC(O)C#N;BIPWLTPDWGXNPH-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48536;MM48536;C=CC(F)COCC=O;WWYPQOBJFZYVAA-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15874;MM15874;O=CCOCC(F)C=O;WPOGPIWGOSALET-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15858;MM15858;N#CCOCC(F)C=O;KEERDMVMCBHGDO-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48537;MM48537;N#CC(F)COCC=O;CPWLZZSJFFAISL-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48538;MM48538;N#CCOCC(F)C#N;OLHCSYIHUNCXMZ-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48539;MM48539;CN(O)C(CO)=NN;HQLNOQUFGKSFHH-UHFFFAOYSA-N;119.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48540;MM48540;C=CN(O)C(=N)C=NOC;IEPFOHQDYBJEEV-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48541;MM48541;CC(C=O)OCCC#N;PLWFQZQIIPCULH-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48542;MM48542;CC(C#N)OCCC#N;KHJPQRTVPCEBOA-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48543;MM48543;C=COCOC(C)C#N;UXMYVYVRBIIUKI-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48544;MM48544;C=NNC(=N)C(CO)OC;RTJLHZJYJFCNGS-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48545;MM48545;C=CN(O)C=NC(=N)CC;INNRJUJYFFAKIG-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48546;MM48546;N#CCCCN(O)C=O;HHUPNAASXSOREV-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48547;MM48547;C=CCCON(C)C=O;BYUFATLMDWPIGS-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48548;MM48548;CN(C=O)OCCC#N;DSKHLBNWBNJYEE-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48549;MM48549;C=COCON(C)C=O;AKXRCTHUXVNFKW-UHFFFAOYSA-N;131.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48550;MM48550;C#CC(=CC(O)C#C)CN;FUDYCELUNTVJSR-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48551;MM48551;CNC(=NC=CC#N)NO;XJXOWLWJQOQVMC-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48552;MM48552;C#CCOCC(C)C#N;SGAIHLKXWHTBMS-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48553;MM48553;C#CCOCC(O)C=C;DMFIIKHMSFXFJQ-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48554;MM48554;C#CCOCC(O)C#N;JYGBYSGFAYTRLV-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15862;MM15862;C#CCOCC(F)C=O;OOGIIUHPKQAKEB-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48555;MM48555;C#CCOCC(F)C#N;ZHBMNPLZCTVYAO-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48556;MM48556;CC(F)C(=N)N(C)O;ONEKZAAGEMGVCH-UHFFFAOYSA-N;120.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48557;MM48557;CON=CC=NNCC=O;KSSMMVXSZJNKFB-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48558;MM48558;C#CCCCN(O)C=O;HTRAPNMHEIRWLZ-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48559;MM48559;C#CC(O)CCCOC;YVDCZGZNLQBTKR-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48560;MM48560;CNN=C(NC)OC(C)=O;NRUVSIUYCGRAEA-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48561;MM48561;C#CC(O)COCOC;OMDLPDDHXUMDDN-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48562;MM48562;C#CC(F)COCOC;JFTHJVNVSYWWQH-UHFFFAOYSA-N;132.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48563;MM48563;C#CC(C)OCCCO;OXTHXKUVCXSXKA-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48564;MM48564;C#CC(O)CCCC#N;ZVFIMHCFYRDKAG-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48565;MM48565;NCC#CCC#CCO;LCYNQHIMUZXOEH-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48566;MM48566;C#CC(O)COCC#N;LIQYRJMOFUDAGI-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48567;MM48567;C#CC(F)COCC=O;BVCUHBOVPRYEFM-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48568;MM48568;C#CC(F)COCC#N;JOGAAFDDCUEVLH-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48569;MM48569;C#CC(C)CONC=O;LZFNKXGFFOLTIX-UHFFFAOYSA-N;127.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48570;MM48570;C#CCC(O)C(C)(N)C#C;SCIQFRZXMWYZAD-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48571;MM48571;C#CC(C)OCCC#N;MKPNIBJYNRNXHE-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48572;MM48572;C#CC(=NOC(C)=O)NN;FPYBNDHDAYHBEP-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48573;MM48573;C#CCOCC(O)C#C;XMJQMDNODFZNRS-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48574;MM48574;C=NOC(=NN)NNC;UWMXVBLSVVZWFO-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48575;MM48575;C=C(CO)CCCCO;BYKCSRKFWYEQGX-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48576;MM48576;C=C(CO)CCCCF;UFXRMIOSWIPPKZ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48577;MM48577;O=C(CO)CCCCF;MWNXRLYXNKSSBI-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48578;MM48578;CC(C#N)NC(=N)C(C)O;GOXWEKNYHQNWKX-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48579;MM48579;C=CN(O)C(=N)NC=NN;OYHCZQYIOXPWGG-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48580;MM48580;CC(=CF)NC(=N)CO;HONIIZICPHUTSF-UHFFFAOYSA-N;132.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48581;MM48581;O=C(CCCCF)NO;UPZOHHIWONOSAP-UHFFFAOYSA-N;135.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48582;MM48582;C=C(CO)COCCO;MHEDFBRXOMUVGK-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15877;MM15877;O=C(CF)COCCF;AYVZIBPWDJBDJN-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48583;MM48583;C=C(CF)COCOC;GKZAUTMTFMHMJZ-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48584;MM48584;CCCOCC(=O)NC;OSORDIVPVFBEII-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48585;MM48585;NC(C=CF)(CO)CO;WXCZGLYKQJFGMX-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48586;MM48586;COCOCC(=O)NO;VBUOPYHYGAJDOH-UHFFFAOYSA-N;135.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48587;MM48587;C=C(COCCO)OC;NLONTZHSUWTQHN-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48588;MM48588;COC(=O)COCCO;KYKVGWVNSDLZBX-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48589;MM48589;C=C(COCOC)OC;PVZMKELEQAZGBD-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48590;MM48590;NCC#CCC#CC(N)=O;SLBIJZXVMNQPOH-UHFFFAOYSA-N;136.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48591;MM48591;CCC(=O)NCCCF;OHGTVXSAIFYYCS-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48592;MM48592;CCCCNC(=O)CO;WFYNRXPMFUYIDC-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48593;MM48593;O=C(CF)NCCCF;JZLYBWWSVLWQMF-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48594;MM48594;CN(O)C(=NC=O)C(=N)N;STWIEYUIIJJEIT-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48595;MM48595;C#CC(CN)=C(C)C(C)O;CUYFROINPDRIFM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48596;MM48596;CC(=NCC(C)N)NO;PXXFDQXUPJCPBC-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48597;MM48597;C#CC(F)=CN(N)C=NN;NUQAHXUYDOYGDP-UHFFFAOYSA-N;142.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48598;MM48598;CCC(=O)NOCCF;HUSUNVSJVMALGI-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48599;MM48599;C=CC(F)(C#N)C(=N)NC;HRGAZWQBHKAZHH-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48600;MM48600;CCN=C(CC(C)N)NO;NRGIYVCHGALMRX-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48601;MM48601;CCCONC(=O)NN;VHJMEDQZYNAYEP-UHFFFAOYSA-N;133.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48602;MM48602;CCCONC(=O)NO;IWBKOVBAHRDZPL-UHFFFAOYSA-N;134.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48603;MM48603;CCC(=O)OCCCF;HMESMFNXKJDXHG-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48604;MM48604;O=C(CF)OCCCF;IKZPFRMBVJIJJT-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48605;MM48605;COCCOC(=O)CF;TYZMXYJPFNBVPR-UHFFFAOYSA-N;136.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48606;MM48606;CC(=CC=O)C(=N)NO;LLSGLUGUIMGBAR-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48607;MM48607;CCCCOC(=O)OC;FWBMVXOCTXTBAD-UHFFFAOYSA-N;132.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48608;MM48608;COC(=O)OCCCO;ROEGPEFCFBNLIS-UHFFFAOYSA-N;134.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48609;MM48609;COC(=O)OCCCF;HKJLJJFTDJTNFV-UHFFFAOYSA-N;136.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48610;MM48610;C=C(CO)OCOCC;AUBPCOPYFOWRGG-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48611;MM48611;CCOCOC(=O)CO;NHFIOZNRJGKXIJ-UHFFFAOYSA-N;134.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48612;MM48612;CN(C)C(=NNC=O)NN;ZVNPZPILBIIZFK-UHFFFAOYSA-N;145.17;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48613;MM48613;CCC(=NNC=O)N(C)C;UYKHLYYGUCWLOE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48614;MM48614;CCOCOC(=O)OC;VESNHOLQJCERGR-UHFFFAOYSA-N;134.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48615;MM48615;C=C(CO)CCCC=O;WYGFHZVAORVKKS-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48616;MM48616;N#CCCCC(=O)CO;ZYSNQRQRDOGZAD-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48617;MM48617;N#CC=C(C(=N)N)C(N)=O;RJSQWODUSKIPFI-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48618;MM48618;N=C(N)NN=COCCO;IIEZOFYKYZKSFK-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48619;MM48619;C#CC(CN)=C(CC)CO;AGNOUJDHTQKBCZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48620;MM48620;C=CCCCC(=O)NO;LMGHTOCJEOXINM-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48621;MM48621;COC(=O)CCCC=O;YBTZROCKNUIONO-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48622;MM48622;CN(C)CCOCCO;YSAANLSYLSUVHB-UHFFFAOYSA-N;133.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48623;MM48623;C=C(CO)CCOC=O;VMVMWLURNQVQQK-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48624;MM48624;CCC(=O)CCOC=O;JGPUXCHQQCWPPR-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48625;MM48625;C#CC(=CC(C)O)CNC;YXMNPDMMGCCTNR-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48626;MM48626;C=NN=C(NC=O)N(C)N;RHAMEUSJKXAPDB-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48627;MM48627;C=COCCC(=O)NC;HPJTWJLSZNBUCT-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48628;MM48628;C=CC(=O)NC(=N)CC;DMVKOULMBIHRTL-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48629;MM48629;CC#CC(=CCO)CN;OWRBBBZHVFSPIZ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48630;MM48630;CC=CC(=O)NC(C)=N;NAGKZFCLGLLZIE-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48631;MM48631;CNC(=O)NC(=NO)NC;SEAKOXVJDKXWDX-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48632;MM48632;CN=C(C#N)N(O)C(C)=N;NNSQLNNUUDJFEI-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48633;MM48633;C=C(CO)COCC#N;HUXKRWOUWHSVSY-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48634;MM48634;CCC(=O)COCC=O;ANRZLSHBKONKQZ-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15847;MM15847;N#CCOCC(=O)CF;SMKMEPQAJSDFLP-UHFFFAOYSA-N;131.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48635;MM48635;NN=C(CC#CCO)NO;IYLJKBZQOLCYDL-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48636;MM48636;CNC(=O)COCC#N;WUBLJVHKMHTHPX-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48637;MM48637;C=C(COCC=O)OC;NBTWLMTWBXOLHT-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48638;MM48638;C=C(COCC#N)OC;AUCMDEWJPQQAJK-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48639;MM48639;COC(=O)COCC#N;JKBRIHFTZWHRDW-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48640;MM48640;C=CN(O)C(=NN)C(C)O;PNYFXCFEQVRRLX-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48641;MM48641;N#CC=C(C#N)N(O)C=N;YKLZEUQVWQXDSB-UHFFFAOYSA-N;136.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48642;MM48642;CCC(=O)NCCC#N;VCSXMVPQDMMPIF-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48643;MM48643;CNC(=O)NCCC#N;AXVHURAAIURJHZ-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48644;MM48644;N#CCCNC(=O)NO;HNPXCZGEMWTQDW-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48645;MM48645;C=CCCNC(=O)OC;VGHFFFSMNUDFSZ-UHFFFAOYSA-N;129.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48646;MM48646;COC(=O)NCCC#N;MFXKYFBXLICCCE-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48647;MM48647;CCC(=O)NNCC#N;BZDITKPIHQVTMD-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48648;MM48648;N#CCNNC(=O)CF;ILKDSKXHOGCUII-UHFFFAOYSA-N;131.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48649;MM48649;CNC(=O)NNCC#N;WWNQJZOQVLOOEH-UHFFFAOYSA-N;128.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48650;MM48650;C=C(C)CN(C)CCO;SYJRDEQNZDZDOQ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48651;MM48651;COC(=O)NNCC#N;RWFNDXBVLBJTGY-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48652;MM48652;C#CCNCCC(C)O;PSEGNJSJZMYZLY-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48653;MM48653;CN(C)CCOCCCO;JYBKPFMLVMDZCM-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48654;MM48654;C=CN(O)C(=N)OC=O;LORKTWAWMPZHQJ-UHFFFAOYSA-N;130.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16383;MM16383;C=CCONC(=O)CF;KXBBVBBTXBXMFZ-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48655;MM48655;N#CCONC(=O)CF;BYVWQRQOOKMPKP-UHFFFAOYSA-N;132.09;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48656;MM48656;CC#CC(N)CCCO;VEGADCBVCLIDSB-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48657;MM48657;C#CC(N)CC#CCCO;ZZJGBXMNIOJADN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48658;MM48658;N#CCONC(=O)NO;HYRZGCDNLPXMTO-UHFFFAOYSA-N;131.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48659;MM48659;COC(=O)NOCC#N;ZMHIAGIOJDZRAL-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48660;MM48660;O=CCCOC(=O)CF;VYRBKRJLUSAQHL-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48661;MM48661;COC(C#N)C(=N)N(C)C;WSSZWRLVRAVXIY-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48662;MM48662;CNC(=O)OCCC#N;TXIVAJQVUHCWAM-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48663;MM48663;CNCC(F)CC(C)C=O;FIKDEKHDHBIEGP-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48664;MM48664;C=CCCOC(=O)OC;NCILKOFYMIBXGO-UHFFFAOYSA-N;130.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48665;MM48665;COC(=O)OCCC=O;UDQUCLSINAFCRG-UHFFFAOYSA-N;132.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48666;MM48666;C=COCOC(=C)CO;LMWHLXNXQMKDPK-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48667;MM48667;CC#CC(=O)CNN=CN;LAKAWWSCCDQXJG-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48668;MM48668;CN(C)C(=NOC=O)NO;FNYDYLLERVGJSW-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48669;MM48669;C=COCOC(=O)NC;GVXIHPPGGKQVAW-UHFFFAOYSA-N;131.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48670;MM48670;CNC(=O)OCOC=O;CBFWKSIXOIJHMZ-UHFFFAOYSA-N;133.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48671;MM48671;C=COCOC(=O)NO;LJESOIFWEBWJJP-UHFFFAOYSA-N;133.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48672;MM48672;COC(=N)NC(C)CC=O;HYMNWGAAUCISPL-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48673;MM48673;C=COCOC(=O)OC;NZDUQJCLRVLATI-UHFFFAOYSA-N;132.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48674;MM48674;C#CCOCC(=C)CO;GYOAVHLNADXWSP-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48675;MM48675;C#CCOCC(=O)CO;BSPHAPYLZMTNNZ-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15852;MM15852;C#CCOCC(=O)CF;HZIIXKNWTGCDOF-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48676;MM48676;C#CCOCC(=O)NC;MXEVWKBEVHHPBU-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48677;MM48677;C#CCOCC(=O)OC;AIQJXQPQNMKDGJ-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48678;MM48678;C#CCCNC(=O)OC;LJPHYXIRXHSNCJ-UHFFFAOYSA-N;127.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48679;MM48679;C#CCONC(=O)CC;KFXFMQQQJNQECH-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48680;MM48680;CC(C)C(=O)CNN=CN;UUJBMRPBCIHWPT-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48681;MM48681;C#CCONC(=O)OC;JCPIQABWADTVCK-UHFFFAOYSA-N;129.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48682;MM48682;C#CCCOC(=O)CO;UYKGVXVSBQANBJ-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48683;MM48683;CCN=C(C=NN)N(C)O;UECXHJPFUZZBDI-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48684;MM48684;C#CCCOC(=O)NO;HNWCNVSFVMSPST-UHFFFAOYSA-N;129.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48685;MM48685;C#CCCOC(=O)OC;HKITVYAVPWWHCT-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48686;MM48686;CCN(CC#N)CCO;KJPVDYFEYFAINA-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48687;MM48687;CN=C(CC#N)NC=N;OMTNBMHIEQKUKB-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48688;MM48688;N#CC(=O)CCCCF;SAIPTELTPFOLIL-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48689;MM48689;C#CC(=N)N(OC)C(=N)N;YUYQWBRKKJCJSE-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48690;MM48690;COCCCC(=O)C=O;NGWALINWTXJYHT-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48691;MM48691;CNC(=N)C(C#N)=C(N)N;PAPBBWPHIHUUQM-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48692;MM48692;CNN=C(NN)C(F)F;KXLFOCKGGCKUOS-UHFFFAOYSA-N;138.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48693;MM48693;C=CC(=C)COCCO;RZNZGYNCWSMWMH-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48694;MM48694;C=C(C#N)COCCO;FYEFWFZGQBEMOP-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48695;MM48695;CCCOCC(=O)C=O;ZPQYIXIRFXGXQH-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48696;MM48696;C=C(C#N)COCOC;NUYQPKUIWGGKBF-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48697;MM48697;COCOCC(=O)C#N;YNVVESKIPVXVHQ-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48698;MM48698;CNN=CC(=NNC)NN;JNCIJZRMEIJFAO-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48699;MM48699;COCCNC(=O)C#N;HNGSNQZPJYKPFM-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48700;MM48700;CNN=CNC=N;NRJPSULCFGQTOB-UHFFFAOYSA-N;100.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48701;MM48701;CCCNNC(=O)C#N;PVBICMYKCHLBLP-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48702;MM48702;C=CCCNN=CNC=N;MQXUJVYJOGNBED-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03338;MM03338;CCCONC(=O)C=O;FJFGCNDKRGIWME-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03397;MM03397;CCCONC(=O)C#N;IEXUOCBPXVFDAG-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48703;MM48703;CC(C)NN=CNC=N;ATSZZTCPADTVTI-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48704;MM48704;COCONC(=O)C#N;OYNOILLUDAWKFI-UHFFFAOYSA-N;130.1;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48705;MM48705;C=C(C=O)OCCOC;KUEXSVSIXVDDSE-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48706;MM48706;COCCOC(=O)C#N;SQTXEHNHIOVQCA-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48707;MM48707;C=C(C=O)OCOCC;OKHOACWRSDELAF-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48708;MM48708;CCOCOC(=O)C=O;ONCJFNXEKJLAKK-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48709;MM48709;CCOCOC(=O)C#N;QMUPSKUMJXYLAD-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48710;MM48710;C=C(C#N)CCCC=O;HWZFKDZYNRBBGE-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48711;MM48711;N#CCCCC(=O)C=O;IBWMAYUJQMQBNB-UHFFFAOYSA-N;125.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48712;MM48712;N#CC(=O)CCCC=O;SNEFTGVYMKIQJW-UHFFFAOYSA-N;125.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48713;MM48713;C=C(C#N)CCNC=O;UEZOHOIRZCGJNY-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48714;MM48714;O=CNCCC(=O)C=O;WGLQDEJXMDTLKI-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48715;MM48715;CCCNN=CNC=N;HVCAKIDEZZANGL-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48716;MM48716;CC#CC(=NOC=O)NN;RYRAHAPPOXXAGN-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48717;MM48717;C=C(C=O)CCOC=O;GOXUVRFPWSSVGG-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48718;MM48718;C=CC(=O)CCOC=O;BBEXWIJFHBVXFX-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48719;MM48719;C=COCCC(=O)C=O;HUWUWGJDESXBQH-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48720;MM48720;O=COCCC(=O)C=O;USDZQYWFOJSTLF-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48721;MM48721;C#CC(=NN)N(C)C=CF;ITGIDWPSOXGSKZ-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48722;MM48722;C=NNC(=N)CN(N)C=O;OXMGYOIWYIKYKO-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48723;MM48723;C#CC(=N)NN=C;OHSHLKHTEPKVKB-UHFFFAOYSA-N;95.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48724;MM48724;C#CC=NOC(=NC)NN;GPFRXMJSFBMLSB-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48725;MM48725;C=C(C=O)COCC=O;KXUHQBUXWJCAID-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48726;MM48726;C=C(C=O)COCC#N;VPGBIKRCONTKIO-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48727;MM48727;C=CC(=O)COCC=O;LXSMYOQYGOIVDS-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48728;MM48728;C=CC(=O)COCC#N;QYFLBSRPGKTSJJ-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48729;MM48729;C=CCOCC(=O)C=O;MJDMDBZAQJXJAA-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48730;MM48730;C=CCOCC(=O)C#N;XXFJKLSXNNYWFG-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48731;MM48731;O=CCOCC(=O)C=O;ZTMRXQVNWZWDIL-UHFFFAOYSA-N;130.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48732;MM48732;N#CCOCC(=O)C=O;FSVDFZJGAPBORB-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48733;MM48733;N#CC(=O)COCC=O;RGPOAKPDHWIMJL-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48734;MM48734;N#CCOCC(=O)C#N;QYRSDLJEHAFOFX-UHFFFAOYSA-N;124.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48735;MM48735;CC(C#N)NC(=N)OC=O;RQCASDYIOLHLJS-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48736;MM48736;C=C(C=NO)C(=NN)NO;FJDOJRQZVWAGCR-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48737;MM48737;NC=C(C=CF)C=NO;NVGXTPWQJOHDMD-UHFFFAOYSA-N;130.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48738;MM48738;O=CCCNC(=O)C=O;GYFUVTRCAKPSFD-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48739;MM48739;N#CCCNC(=O)C#N;GROSHLQFZHCLSE-UHFFFAOYSA-N;123.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48740;MM48740;C=CCONC(=O)C=O;DEEHAMVKQDZVKL-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03390;MM03390;C=CCONC(=O)C#N;TXSVHNJUNJKVJX-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48741;MM48741;N#CC(=O)NOCC=O;OCUFDKUVPKJMCK-UHFFFAOYSA-N;128.09;-1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48742;MM48742;N#CCONC(=O)C#N;CDIDBPBHLZHSPJ-UHFFFAOYSA-N;125.09;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48743;MM48743;C=C(C=O)OCCC#N;PDYQUMZRPMIHHZ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48744;MM48744;C=C(C#N)OCCC#N;FROGJKLYWYWYKK-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48745;MM48745;O=CCCOC(=O)C=O;KTSLUWQSADNUQK-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48746;MM48746;N#CCCOC(=O)C=O;FFUSQWGIRLOPDC-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48747;MM48747;N#CC(=O)OCCC=O;ZCJXSOHDOSXZJY-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48748;MM48748;N#CCCOC(=O)C#N;SPKJCQDBYYEMSE-UHFFFAOYSA-N;124.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48749;MM48749;C=C(C#N)OCOC=O;AVXGXKLFDWABDM-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48750;MM48750;C=COCOC(=O)C=O;SLPXFJUTVRAUHI-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48751;MM48751;C=COCOC(=O)C#N;NCTNACGHPAJYFQ-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48752;MM48752;N#CC(=O)OCOC=O;WJSMFGKPDPUEAQ-UHFFFAOYSA-N;129.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48753;MM48753;CC(N)=C(C=NO)C(C)F;JMQOEFFLUNXLMB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48754;MM48754;C#CCOCC(=C)C#N;NAZBGLPTRNLUKO-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48755;MM48755;C#CCOCC(=O)C=O;SXCPFRYHAWFIOH-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48756;MM48756;C#CCOCC(=O)C#N;SHRWEDUZFJATLF-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48757;MM48757;C=CN(N)C(C)=NNC=O;FFTZMPQQWGJUGU-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48758;MM48758;C#CCONC(=O)C#N;GFDNTTJBAJZKTM-UHFFFAOYSA-N;124.1;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48759;MM48759;CC(=NO)NN=CNO;ONIOLCMYZLWCLW-UHFFFAOYSA-N;132.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48760;MM48760;C#CC(=C)COCCO;HZJPXLXUJOJYPX-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48761;MM48761;C#CC(=O)NCCCF;RVJYOTFOAVNMPO-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48762;MM48762;C#CC(=C)OCCCO;PYDCIAKVPAHDCY-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48763;MM48763;C#CC(=O)OCCCO;OOCNGRIRQJOAPI-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48764;MM48764;C#CC(=O)OCCOC;LDJBUERBDCCUIE-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48765;MM48765;C#CC(=O)OCOCC;OMAJHRZRTPNTOS-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48766;MM48766;C#CC(=O)CCCC=O;MIECMSDFUKLPPM-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48767;MM48767;COCC#CC(=NO)NN;XNUZBRURXKQTAL-UHFFFAOYSA-N;143.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48768;MM48768;CC(=NO)NCC=CF;STFQQSVOUCOYFN-UHFFFAOYSA-N;132.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48769;MM48769;C#CC(=O)CCOC=O;WALGGXGVGYBKGU-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48770;MM48770;C=NNC(=NC)C(C)O;GNZJKJWBCQMSIL-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48771;MM48771;CCNC=NNCC;JTNXYARQNLRDQS-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48772;MM48772;C#CC(=O)COCC#N;FVZMWZCXMKRNNK-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48773;MM48773;C#CC(=O)NCCC#N;WVCKKHBUSFWQKA-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48774;MM48774;C#CC(=O)NOCC=C;KDXKBAHUBIZJNF-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48775;MM48775;C#CC(=O)NOCC#N;OJYIKDHTONUKGA-UHFFFAOYSA-N;124.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48776;MM48776;C#CC(=O)OCCC#N;PLZWHDPSWYBXDT-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48777;MM48777;C#CC(=C)OCOC=O;QJWHUCDGQKSAND-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48778;MM48778;C#CC(=O)OCOC=C;IBVHJSXKKJGMMM-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48779;MM48779;C#CC(=O)OCOC=O;FQZMUUHCXORSCJ-UHFFFAOYSA-N;128.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48780;MM48780;C#CCOCC(=O)C#C;GYVAWCSGSQAOOY-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48781;MM48781;C#CCNNC(=O)C#C;SDLXFMSIPFCYRX-UHFFFAOYSA-N;122.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48782;MM48782;C#CCONC(=O)C#C;ZCUCWZMWYPHUOX-UHFFFAOYSA-N;123.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48783;MM48783;OCC(O)CCC=CF;ZHBOZANWJWJYIA-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48784;MM48784;C#CCC(F)(C#N)C(=N)N;LCZWDHYJBOAOLM-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48785;MM48785;CN(O)C(=N)CF;DLCNKTGAGVQEDK-UHFFFAOYSA-N;106.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01801;MM01801;CCC(F)CCC=NO;KDXXPROKKNJNTA-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48786;MM48786;CCC(C)NN=CNC=N;SQMOECKYJAUXFA-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48787;MM48787;CCCNN=CNCC;CXAWWSXPCZBVGV-UHFFFAOYSA-N;129.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48788;MM48788;C#CC(C)CN(O)C=NN;YHHMLGJBGQZRJF-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48789;MM48789;C=C(CC(=NN)NC)OC;XOKOUTKTLUKABG-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48790;MM48790;C=CC(=NC=NNC)NC;NECQHLLAHWAAQR-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48791;MM48791;CNC(C)CNN=COC;XZFKTMPNFQSICZ-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48792;MM48792;COC(C)COC=NO;UKDILMGKFQGUBN-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48793;MM48793;CC=CNC(=N)C=NNC;RRCYJHFYOIXENW-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48794;MM48794;CC=CN(C)C(=N)C=NN;RMEUVIIVTKZMKF-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48795;MM48795;NN=C(CC#CCF)NO;PPZHAMZFNJMUQG-UHFFFAOYSA-N;145.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48796;MM48796;CCN=CNN=C(N)C=O;RSZQQUYTJRGYEK-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48797;MM48797;C=CC(=O)CCN(C)CC;HHBSTMOGBUNSDU-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48798;MM48798;COC(C)OCC=NO;UUNXWBLXFGHVOV-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48799;MM48799;C#CC(C#N)(C#N)NC=N;JRIKFAFAMKYNKJ-UHFFFAOYSA-N;132.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48800;MM48800;C=CC(O)CCC=NO;QVBXSXVHJAOQFV-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48801;MM48801;CN(C)C(CC=NO)=NO;JKFACMRKFAQGIV-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48802;MM48802;C=C(C#CCNC)C(C)=O;APLNRYJRHXXJPF-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48803;MM48803;C=C(C#N)NC(=N)NC;YJHHAMLPIGGFKU-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48804;MM48804;CN=C(C)N(O)C=NO;PYNONZABFSIPOP-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48805;MM48805;CC=COCC(O)C#N;DYTHKTYJCYXGNX-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48806;MM48806;CC(C#N)COC=NO;HYTXBHSYUXENIC-UHFFFAOYSA-N;128.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48807;MM48807;CC(F)C#CC(=NO)NN;GSWZUANUNUFFPS-UHFFFAOYSA-N;145.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48808;MM48808;CC(=N)N(C=N)CC=NO;NIYXYMXEVZBYNR-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48809;MM48809;C=C(OC(C)=NO)C(C)N;RIEAUOLBUGNCQC-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48810;MM48810;CC=NOCC(O)C#N;BYWWCUQOXICZCT-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48811;MM48811;CC#CC(CN)OC=NO;WSPMVQIATDVZLZ-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48812;MM48812;C=C(C#CC(C)N)C=NO;YQKXSNSSIKNWPT-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48813;MM48813;C=C(C)C#CC(=NO)NN;ICBKYTJYJNBWJY-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48814;MM48814;CC=CC#CC(=NO)NN;VOLFVSVJUCIKTD-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48815;MM48815;C=C(C=NO)CC#CCN;UGCNRCSYOTVJPJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48816;MM48816;CCC(N)C#CC#CCO;IOLDGMXSFRIDTG-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48817;MM48817;C#CC(C)(O)C(N)C=CF;HTPKFRIEBBNBGT-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48818;MM48818;C#CC=CC(N)C(O)C#C;XNAVPJYNWQYHPP-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48819;MM48819;O=CN(O)CCC=CF;CBDQLKCYMLVRJT-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48820;MM48820;NCC(C#CCO)=C(F)F;MSVKVGYYEQVANM-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48821;MM48821;CN(C)C(=NO)NOC=O;FNYDYLLERVGJSW-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48822;MM48822;C=CN(C)C(=NO)NN=C;OPRMQUGKLMUVJA-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48823;MM48823;CNN=CN(O)C(=N)N;NWLRONYEORKBEM-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48824;MM48824;CC=CN(O)C(=N)C=CN;BPRULQJQYKOCMR-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48825;MM48825;C=CCN(C=N)N=CC#N;OVJVMRQHNQQVDA-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48826;MM48826;CCC(=O)CCC=NO;ZGQMLQQYENQXDM-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48827;MM48827;CNC(=O)CCC=CF;OGXBPITZWRSGHP-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48828;MM48828;CNC(=O)ON=CC=CN;ALBLHCVWRCWXRM-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48829;MM48829;COC(=O)CCC=NO;GROIZFGOAFTUNT-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48830;MM48830;CCNC(C#N)CO;KJFAGCLKHWQXNG-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48831;MM48831;COC(=NCCF)NO;ZSLPXGLNVPMODH-UHFFFAOYSA-N;136.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48832;MM48832;C=CC#CCC(=NN)NO;GSXOLHTUBDYQSK-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48833;MM48833;C#CC(=CN)C(=NN)NO;DWOJQEJGVNSKNO-UHFFFAOYSA-N;140.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48834;MM48834;CC=COCC(=O)CO;NKLJKUDYRAANMV-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48835;MM48835;CN=C(C)N=CN(C)O;GMCSJAALKLOJGP-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48836;MM48836;C#CCNC(=N)C(F)C=O;CFPRXZZISCWYNX-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48837;MM48837;C=C(CO)COC=NO;DTDIBESBXFOTCC-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48838;MM48838;C=CN=CNN=COC=O;LTNZQZMUGJFVDN-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48839;MM48839;CC=COCC(=O)NC;ABFDMRDHHBSCIH-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48840;MM48840;CCN=CNN=COC;BUKDEDCFRKRQDQ-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48841;MM48841;CCN(CC#N)C(=N)CO;HBAUOBYLFSVZPG-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48842;MM48842;C#CC(N)=NOCC(C)=O;LGHQKLZKNRSFQU-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48843;MM48843;C=C(COC=NO)OC;GZYCSYBCJNJUGU-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48844;MM48844;C#CC(=CC(O)C=C)CN;CNUJLMDUXQZCHK-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48845;MM48845;C#CC(C(=N)N)N(O)C=N;POBSVOWYTQMXKY-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48846;MM48846;C#CC(F)C(=N)NC=NN;XZZPGDNAJQIRPY-UHFFFAOYSA-N;142.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48847;MM48847;CN=C(NN)ON=COC;KJYZEHMSSOZJNB-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48848;MM48848;CONC(=N)OC(=O)C#N;SQSKGWZNRNSOTF-UHFFFAOYSA-N;143.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48849;MM48849;CC=CCNC(=O)CO;IGVOOJJNDFACSS-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48850;MM48850;C=CC#CC(=NOC)NN;FAHJHDXKUHFAFB-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48851;MM48851;CC=CCNC(=O)NO;WYPFGLHDRUMIMY-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48852;MM48852;C=C(C)CN(O)C(C)=N;OFWJLUYFBRACPK-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48853;MM48853;N=CN(O)C=NO;DRBXVRPUBQGLIG-UHFFFAOYSA-N;103.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48854;MM48854;CC(=N)N(O)CC=CF;DKHFFVPABAWNNL-UHFFFAOYSA-N;132.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48855;MM48855;CCC(F)C(C)(N)CO;QVAGNIVALCJWJW-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48856;MM48856;COC(=O)NN=CNN;QMLZMHLZBXATRD-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48857;MM48857;COC(=O)NN=CNO;RGCIWPJHYHDXIU-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48858;MM48858;C#CC(=NO)N(N)C=C;HKDUZVOQAMMYPI-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48859;MM48859;CCCC(N)(CO)CF;DDWLYPYTPFGYBK-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48860;MM48860;C=C(CO)OCC=NO;XSGZPBFVPJCOAO-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48861;MM48861;C#CC(=NO)N(N)C=CC;NEVAUYOPJXIAPM-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01920;MM01920;CC=CCOC(=O)NO;YLGCAXRAOJQPLZ-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48862;MM48862;CC=CCOC(=O)OC;NFYGBYGXNPTYBT-UHFFFAOYSA-N;130.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48863;MM48863;COC(=O)OCC=CF;AYBXZIVYUATGAH-UHFFFAOYSA-N;134.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48864;MM48864;CN=CN=C(C=NO)NC;WEEBBFNCHGWTIP-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48865;MM48865;CONC(=NO)NOC;LMLBFMOYWMTPQR-UHFFFAOYSA-N;135.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48866;MM48866;NNC(=O)ON=CNO;ABDIDHCZYKSQJX-UHFFFAOYSA-N;134.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48867;MM48867;C=CC(=O)CCC=NO;BOUVRAJUZNJLCF-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48868;MM48868;O=CC(=O)CCC=NO;HDAMIKWJPUFZQH-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48869;MM48869;N#CC(=O)CCC=NO;YPEHUUADBBYSFR-UHFFFAOYSA-N;126.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48870;MM48870;CC(=N)NC(=O)C=C(C)C;RDSLNEDJSZFVGC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48871;MM48871;C=CC(=O)COC=NO;CCNKZKVRNMAGLC-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48872;MM48872;N#CC(=O)COC=NO;OXAIBRMUTLTVKI-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48873;MM48873;CC(=O)NN=CC=C(N)N;PTORHDGBCSWBOV-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48874;MM48874;O=CC(=O)NCC=CF;QTMLONXBSNDMCG-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48875;MM48875;CC(=NO)N(C)CC(C)O;AIZQYEJEDSBMOS-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48876;MM48876;NC(C=O)=NCC=NO;RXYAEXBKCMCJEF-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48877;MM48877;CCC(F)=C(CO)NC=N;DBRIYCTUHUVJBE-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48878;MM48878;CCC(=NN)N(O)C=NC;WRUJQAZHBPTZAH-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48879;MM48879;N#CC(=O)OCC=NO;GFDBRAQQSVRYRS-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48880;MM48880;CN=C(NO)N(N)C=N;PLQROEJRNFHVHA-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48881;MM48881;N#CC(=O)ONC=NO;AJCFHFUNPROHQM-UHFFFAOYSA-N;129.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48882;MM48882;C#CC(=O)CCC=CF;YALCEYBYBFVOOZ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48883;MM48883;C#CC(=O)CCC=NO;JOWLAFCGXATBIK-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48884;MM48884;C#CC(=C)COC=NO;NRLFBERTLDGPST-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48885;MM48885;C#CC(=O)COC=NO;DYYQFNMGUWFODW-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48886;MM48886;C=NNC(CO)=NC;AFVBXMGPMKFYMB-UHFFFAOYSA-N;115.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48887;MM48887;C=CN(N)C=NN=CCO;KEODSAQBEDYCDL-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48888;MM48888;C#CC(=N)NN=CN(C)O;CQXVQDDNMGDCIP-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48889;MM48889;C#CC(=O)NOC=NN;LXFBSBLXVYWSDB-UHFFFAOYSA-N;127.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48890;MM48890;C#CC(=O)NOC=NO;HWEDUIHWPOUTCS-UHFFFAOYSA-N;128.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48891;MM48891;C#CC(=O)ONC=NO;ZTWBDJDMLMYHCF-UHFFFAOYSA-N;128.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48892;MM48892;CC#CCCC(O)CO;VZXOLEGPPRVMKB-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48893;MM48893;CC#CCON(C)C=O;NWDZPMFQMZDDRT-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48894;MM48894;CCN(C=NN)OCOC;RQCCNYSHNKGARO-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48895;MM48895;CC#CCNC(=O)CO;WMMOBWKIQAGURR-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48896;MM48896;NN=CNC(C=NN)=CF;ZOHAAUXUMUOXIC-UHFFFAOYSA-N;145.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48897;MM48897;CC#CCNC(=O)NC;KDMIBZFWVWQVHZ-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48898;MM48898;CN(C)N=C(C=NN)NN;JLMCFAASDDTNRH-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48899;MM48899;CC#CCNC(=O)NO;XOPLYNXTTCVNNV-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48900;MM48900;CC#CCNC(=O)OC;SYQXRLMCCKWJGH-UHFFFAOYSA-N;127.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48901;MM48901;CC#CCOC(=O)CO;FOMRTIWRAWOJLH-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48902;MM48902;C#CC(=CC(O)CC)CN;KGROCWNCNCVFOF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48903;MM48903;CC#CCOC(=O)NO;LCSFUEPFSZNAMD-UHFFFAOYSA-N;129.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48904;MM48904;C#CC(=C)CC(=N)N(C)O;PDWFIIASDJPXSA-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48905;MM48905;CC#CCNC(=O)C#N;LJVMPMUJZAGHRE-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48906;MM48906;C#CC(=N)NN=CCC;QKQNOYSXMBOOGO-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48907;MM48907;CC(F)CC(=N)N(C)O;YWTHOFQXHSZNRF-UHFFFAOYSA-N;134.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48908;MM48908;CCC(N)CN=C(C)NO;MJCJRQRZVKMMKI-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48909;MM48909;C#CC(=CC(C)(C)O)CN;KBLOTCGCRJVCMQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48910;MM48910;N#CCNC(=N)CNC=O;MNQHAGSWOZCMKC-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48911;MM48911;C#CC(=N)NN=CC;PIEMWOGADKHDQQ-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48912;MM48912;CNC(=NNC(C)=O)NN;AHFCEKYQCCODQU-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48913;MM48913;COCCN(C)C(C)CO;JCKDPNAFWYEXTH-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48914;MM48914;CC(O)CNCC=CF;NNNAWZRJOWIZQA-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48915;MM48915;C=CN(N)C(C#CC)=NO;NLVMVYHEQSXWIG-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48916;MM48916;C#CC(N)C(CO)CC=C;YGSYZWDJSUEYEL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48917;MM48917;C=C(C)C(=NC)NC(N)=O;DSSJIXIWHLBBFU-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48918;MM48918;CC(=NO)OCCCF;MMJQJLGOGGNNPW-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48919;MM48919;CCC(=NO)NCCO;PPXBCUMCFMJAEY-UHFFFAOYSA-N;132.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48920;MM48920;CCOCOC(C)=NO;PLRITRHZRPDKIO-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48921;MM48921;CC(=CF)CCCC=O;OTPZFADTRYEBLF-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48922;MM48922;CC(CCCC=O)=NO;SRBMKZFISBOMTO-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48923;MM48923;C=NN=CN(O)C=N;HRNLSHXQEGPTQB-UHFFFAOYSA-N;114.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48924;MM48924;CC=NN=CN(O)C=N;DAKSVTOFUJPPAI-UHFFFAOYSA-N;128.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48925;MM48925;C#CC(=CCO)CN;CSZAGPMJVBIDQD-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48926;MM48926;O=CNOCC(F)=CF;FVOOMENIMGUPIR-UHFFFAOYSA-N;137.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48927;MM48927;C=CC=CN(O)C=NC=N;CYSXHXHVBGEZSQ-UHFFFAOYSA-N;139.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48928;MM48928;CNCC(F)C(C)=CCO;YICOVFJIZWSJPN-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48929;MM48929;C=CNC(=NN=C)NC;BSNIKFAZOJVSLJ-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48930;MM48930;C=C(CO)C(C)C#CCN;QKGFPERIFCFROB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48931;MM48931;CC(=NO)OCCC#N;TXBIMZOWERCLIS-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48932;MM48932;COCC(C#CCN)CF;HMOOSFMMLFBPQD-UHFFFAOYSA-N;145.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48933;MM48933;C=COCOC(C)=NO;WRFJGOBLBWFMOG-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48934;MM48934;CC(=NO)OCOC=O;GLBOPIYOHHJPHC-UHFFFAOYSA-N;133.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48935;MM48935;C=NOCOC(C)=NO;TZUSQWQRLOCFPC-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48936;MM48936;C=C(C)C(C#CCN)CO;ZKJPUFQADSBDJV-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48937;MM48937;C#CC(=N)NN=CCC=O;CBHGZVYNVMCBFI-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48938;MM48938;CC=NNCC(C)=NO;IQQQJFOPYRLCLU-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48939;MM48939;CC(COC=NO)=NN;LQWLOGKYNCXBSD-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48940;MM48940;CC(COC=NN)=NO;JQLZJUVWKYDTMO-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48941;MM48941;CC=NOCC(C)=NO;WIIAQEJJDLNNOS-UHFFFAOYSA-N;130.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48942;MM48942;C=NNC(CC=O)=NC;ZRJYIEFBMWITPV-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48943;MM48943;C#CC(C=O)N(C=N)OC;FZKYTSJVWHTGKD-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48944;MM48944;C#CC#CC(=NN)NN;CZOFEBHGOWROFM-UHFFFAOYSA-N;122.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48945;MM48945;CC#CC#CC(=NN)NN;CRIDCAKMFOICAR-UHFFFAOYSA-N;136.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48946;MM48946;CC(=NOC=NO)NN;SZVTUBHMVACPED-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48947;MM48947;CNC(C#N)CC(C)=O;PNMKAJCLRFINSA-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01864;MM01864;CC=CCOC(C)=NO;AMVTUNXLWGDBFT-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48948;MM48948;CCC(=O)CC(C#N)NC;SRZAZSRJIYRLDE-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48949;MM48949;CC(=NO)ON=CNO;GFWLQBIJRXIMDL-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48950;MM48950;COC=CCC(O)CO;GYOCXCGINGRTAE-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48951;MM48951;CNNC(=O)NN=CNN;UCQZHSIGTUFROK-UHFFFAOYSA-N;146.15;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48952;MM48952;CNC(=NNC=O)NN;AJQZDOQDFVHVMX-UHFFFAOYSA-N;131.14;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48953;MM48953;CCNC(=O)NN=CNN;OUZPSBKVCWWIHA-UHFFFAOYSA-N;145.17;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48954;MM48954;CC(C)(C#CCN)CO;YGMBZIPTYSPOGZ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48955;MM48955;CCC(=O)CNN=CN;DLVFMQPXNCFMOP-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48956;MM48956;CC(CO)OC=CCO;PAHODUGFPAKULO-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48957;MM48957;COC=COC(C)CO;WLVZRZITSLQHAW-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48958;MM48958;COC(C)OC=CCO;QIDIZOCLELECBP-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48959;MM48959;COC=COC(C)OC;OXBNLZLZZQHWRD-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48960;MM48960;C=CC(C#CCN)C(C)O;VJJJNTIHMGYLLH-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48961;MM48961;CNC(=O)NN=CNN;ZQIXXSFUYWNMER-UHFFFAOYSA-N;131.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48962;MM48962;CNCC(C)C(=O)C#N;JYIYFYNYKBUPFT-UHFFFAOYSA-N;126.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48963;MM48963;C=C(C=O)N=C(N)C=NO;UXRMGEYEVDEFPQ-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48964;MM48964;O=CC=CCC(F)CO;JPVDMQDTNIFBAM-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48965;MM48965;C=NN=CCC(O)CO;YLXLIJVUFVSXMK-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48966;MM48966;CC(C)=CC(C=O)N=CN;SXVIDOPKPJSXSC-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48967;MM48967;CC(CF)NC=CC=O;ZRSPBDQJMXOARK-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48968;MM48968;C#CC(=NN)NC(C)=N;LRHZOBPQYODMHD-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48969;MM48969;CC(CO)NN=CC#N;GAIZARWPZVTNHL-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48970;MM48970;CC(CO)OC=CC#N;IBGRXRHNINYICA-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48971;MM48971;COC(C)OC=CC=O;UXOVHGFELUSDSV-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48972;MM48972;COC(C)OC=CC#N;JDEOPHRIVYFCEG-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48973;MM48973;C=NN=COC(C)CO;KBQSRARUNNASLK-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02761;MM02761;COC(C)ON=CC#N;SPJOSBFCAPCHEM-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48974;MM48974;CC(=NO)NC=CCC#N;MPKODUDXBAOWNL-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48975;MM48975;NNC(=NO)NN=CNO;MPLVZQADKYPASF-UHFFFAOYSA-N;148.13;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48976;MM48976;NC=CC=NNC(N)=O;JRGOEDQCAXRSHC-UHFFFAOYSA-N;128.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48977;MM48977;C=C(OC=NNC)C(C)N;HCJZHBZTWBDUEU-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48978;MM48978;COC=CCC(O)C#N;MIJMYJSNYOPBKM-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48979;MM48979;C=NNC=CC(=N)C=O;CAXMBDVUTPNTKM-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48980;MM48980;CNNC(=N)ONC(=N)N;KISOJXPWUGEUDH-UHFFFAOYSA-N;146.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48981;MM48981;CN(C=O)C(=NN)NC=N;JSIZRQVYUUIXSJ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48982;MM48982;C=CC(C=NNC=O)=CN;MUBNXJPMTUQBSJ-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48983;MM48983;CCN(C)C=NO;IRTSGNPBIWNSTD-UHFFFAOYSA-N;102.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48984;MM48984;C=NNC(=N)C(O)CF;VZFNTOFOJRLSDQ-UHFFFAOYSA-N;133.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48985;MM48985;CN=CN(O)C(C)(C)C#N;ATHPJHYZTGHFAA-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48986;MM48986;N=CN(O)C=NN=CCO;DTOAQQXSBJUDDX-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48987;MM48987;CC(=CCO)N(O)C=NN;FAPUYCCRNQDPIG-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48988;MM48988;CC(C=O)OC=CCO;QGUIJTHDNOAFIP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48989;MM48989;CC(C#N)OC=CCO;JQGDGAJNMQRUHO-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48990;MM48990;CN(C)CCC=NNC=N;DAOQYKDUJSXESK-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48991;MM48991;CC(CC(C)(F)CN)=NO;SDMVHQAUIUXORJ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48992;MM48992;N=CNC(=O)N=C(N)N;NYVDFJXBSPRYPX-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48993;MM48993;COC(=O)OC(=N)NO;KSHAGONROXLWAD-UHFFFAOYSA-N;134.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48994;MM48994;CC=CC(O)CNCC#N;VAFLNAILMQRLBN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48995;MM48995;CNN=CCN(O)C=O;SVAMOUOMCGYHIH-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48996;MM48996;CN(O)C(=N)C(F)=CN;BWKYOUXOMRAMQV-UHFFFAOYSA-N;133.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48997;MM48997;CNC(=O)OC(=NN)NC;LCFQCKVIYVLUCY-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48998;MM48998;C#CC=C(F)C(=N)NO;JSSDGRGNPNVJRZ-UHFFFAOYSA-N;128.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM48999;MM48999;CCN(C=NC)N=CCO;MQXLTVZHSJLHLH-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49000;MM49000;CC(C)N=C(N)C(O)C=O;ZVQQVRKNMLEVKM-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49001;MM49001;CNC(=O)N(C)N=CNN;KDTGHMBIEGOXFA-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49002;MM49002;O=CC=CCC(O)C=O;MCMCVEDDCMKEIY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49003;MM49003;N#CC(O)CC=CC=O;VHNSZPFQSQXCKC-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49004;MM49004;N#CC=CCC(O)C#N;ZPOCHTCYVLMEKY-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49005;MM49005;C=NN=CCC(O)C=O;CABSZTPGXRPHJF-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49006;MM49006;C=NN=CCC(O)C#N;BLMVLZAHHNKLQI-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49007;MM49007;CC(C=O)NC=CC=O;KIBDUYGMTVEPMG-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49008;MM49008;CC(C#N)NC=CC=O;OSNKYQYDZGQTGI-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49009;MM49009;CC(C#N)N=CNC=O;NGFUZAYXGWCKQZ-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49010;MM49010;CC(C=O)NN=CC#N;HIPPLHUKSHOHJW-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49011;MM49011;C#CC(O)(C=C)C(N)C=C;LHADTEPXRZYDDK-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16074;MM16074;CC(C#N)NN=CC#N;HHPUPYQQZJHESW-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49012;MM49012;CC(C=O)OC=CC=O;ZINQPJWJSJQDIS-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49013;MM49013;CC(C=O)OC=CC#N;WUVTWAUOHDQJSH-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49014;MM49014;CC(C#N)OC=CC=O;UJYAZDFPQZVOSA-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49015;MM49015;CC(C#N)OC=CC#N;YOZRDLVDHHJJLQ-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49016;MM49016;C#CC(N)C(C)C#CCO;TVYUPKXUVRZTLK-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15933;MM15933;CC(C=O)ON=CC#N;RTJKCGQVOAPMSW-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16020;MM16020;CC(C#N)ON=CC#N;QNZZFOPOTMPUKC-UHFFFAOYSA-N;123.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49017;MM49017;CC1(O)C(N)C1N;GFAZEZIEOOFLQD-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49018;MM49018;N#CC=CCN(O)C=O;SGXKTDRWFNDLRK-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49019;MM49019;NCC#CCC(F)F;KDOYHGJZNVONNF-UHFFFAOYSA-N;119.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49020;MM49020;C=C(CC#CCN)NC=O;AZIQRKOKOZPBRS-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49021;MM49021;CN(C=O)NC=CC#N;FKGBOAGVMIXUNL-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49022;MM49022;CN(N=CNN)C(N)=O;VUTFZTGRBXVMCH-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49023;MM49023;C=NN=CON(C)C=O;ATUUPUWGAJDJIL-UHFFFAOYSA-N;129.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49024;MM49024;C#CC=CCC(O)C=O;RGCGBBACTFZMOK-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49025;MM49025;C=CN(O)C(=N)C(C)CF;WGXSHVXPVFCUTR-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49026;MM49026;C#CC=CCN(O)C=O;KLMCXDBKCGCCSX-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49027;MM49027;C=NN=C(CCO)N(C)C;UOUKGPCVNKEDOR-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49028;MM49028;C#CC(O)CC=CCO;HBAYCACQJRTAII-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49029;MM49029;CNC(C=O)C(F)F;SKUJPFLHHZITMU-UHFFFAOYSA-N;123.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49030;MM49030;C#CC(N)=NOC(C)C=O;HHBCDQCRIYRUQR-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49031;MM49031;CN(C=O)N=CNN;XIGRBYCFARKXAC-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49032;MM49032;CC(C#N)N(C)C(=N)CO;ARZAQQGOFBLTOT-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49033;MM49033;C#CC(O)CC=CC=O;WFNZZDCWBRQITQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49034;MM49034;N#CCC(F)(C#N)C(=N)N;CVSYVFBGUOUUFL-UHFFFAOYSA-N;140.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49035;MM49035;C#CC(C)OC=CC#N;HXTOCTMBUODIFD-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49036;MM49036;C#CC(=N)NN=CCC#N;HKZMNUGQAZSCMZ-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49037;MM49037;CNC(=O)CC=CCO;PFJJJKQMDBFJNM-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49038;MM49038;CCCC(O)CN=CNN;OUHHZEZGAWINFQ-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49039;MM49039;O=C(CC=CCF)NO;PLFAMNQYAVKJMB-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49040;MM49040;COC(=O)CC=CCO;DIFONWOTOLGYPM-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49041;MM49041;C#CCNC(=N)ON=C;XOCZFEGOICUXAH-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49042;MM49042;C#CC(=NO)C(C)=CN;HECWGTDTFHBJLF-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49043;MM49043;C#CCNC=CC(C)=NO;DQWYSBQIQFQHLF-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49044;MM49044;CC(F)C(C)(N)CO;BORUPBSPHSGWDY-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49045;MM49045;CN(CC#N)C(=O)NC=N;VKFTZEXMBPFTJU-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49046;MM49046;C=CC(=C)NC(=NO)NO;JTZCEEVXDJLORY-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49047;MM49047;C=NNC(=N)NC(=N)NO;SIRNSNYHQVIREK-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49048;MM49048;CCC=CNC(=O)CO;IBDDMPXSLPRIGO-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49049;MM49049;C#CC(O)C(C)C#CCN;CWPWPQOROCVVAI-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49050;MM49050;CCC(=O)NC=COC;AXNPRWBJCHVKJT-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49051;MM49051;C=CC(C(C)O)N(C)C;DXCJYCGHQSEMBN-UHFFFAOYSA-N;129.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49052;MM49052;CCC=CNC(=O)NO;ZQJWEQZINXLDHJ-UHFFFAOYSA-N;130.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49053;MM49053;CNC(=O)NC=COC;FEMDMQANALSQEW-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49054;MM49054;CN(N)C(=N)CN(O)C=N;BNDVNDHGJIWEQR-UHFFFAOYSA-N;145.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49055;MM49055;CN(O)C(=NOC=O)NN;NKRYKHGIKDUBQA-UHFFFAOYSA-N;148.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49056;MM49056;CCC(=O)NC=NNC;RDMLPNNVRHNXLR-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49057;MM49057;C=CNC(=N)NN=COC;NAXHUAHSZPWEHR-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49058;MM49058;CNN=CNC(=O)CO;PWDDZDWWYHHXDI-UHFFFAOYSA-N;131.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49059;MM49059;CNN=CNC(=O)CF;PUPXEQGLERJUAE-UHFFFAOYSA-N;133.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49060;MM49060;N#CCC(=N)NOC(N)=O;KNPUPPFTXYEENS-UHFFFAOYSA-N;142.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49061;MM49061;C=C(C)C(CO)N(C)C;PBNRCSQDHSZPDG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49062;MM49062;N=CN(O)C=NN=CC=O;MWKFJNLIXCMAOI-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49063;MM49063;CNN=CNC(=O)NC;MEIKWABMLBBUKY-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49064;MM49064;CNN=CNC(=O)NN;MLLPDYBDEJKOJD-UHFFFAOYSA-N;131.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49065;MM49065;CNN=CNC(=O)NO;ZPNBIZUEHYWYCL-UHFFFAOYSA-N;132.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49066;MM49066;C=CC(O)CN(C)CC#N;CEXRTTZLQGAUJB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49067;MM49067;CNC(=O)NC=NOC;XQQGQUUSKOPLSW-UHFFFAOYSA-N;131.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49068;MM49068;CNN=CNC(=O)OC;DTGONYCGTKMXHT-UHFFFAOYSA-N;131.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49069;MM49069;C=COC(=O)OC(=N)NO;YXXNJQNYDMETNH-UHFFFAOYSA-N;146.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49070;MM49070;CON=CNC(=O)OC;IHGVQHVITNWZKB-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49071;MM49071;CNC(CO)C(C)=CF;PPFUQGSZOVXKBT-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49072;MM49072;CC=CNC(=N)OCCO;WAKRMBRJUSPNMP-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49073;MM49073;CN=C(N=C(C)NO)OC;JJWHWKBUULYRHS-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49074;MM49074;CCN=C(NN)C(N)=O;DVQYYLYCCUCFMZ-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49075;MM49075;N#CCNCCC(=O)CF;AWYZVAAKWZQJDG-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49076;MM49076;C=NN=C(NNC)ON=C;BPYNFBRWSWVECX-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49077;MM49077;CCC(=O)NN=CCO;LNLNLXAQOOSMMX-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49078;MM49078;C=NN=CNC(=N)OC;PLXAOZXIKXROFK-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49079;MM49079;C#CC(N)C(CC)CO;CTFVXFJOHVVGIX-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49080;MM49080;NCC#CCC=CCO;GYUSPJREKLRAFJ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49081;MM49081;CCNCC(=O)NCC;QXEXBEVZURKZKK-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49082;MM49082;C#CC(=N)NN=C(C)C;UQRXDHLCPXBRDR-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49083;MM49083;C=NN=C(C=CN)N(C)C;YBTJMPJUHKSAFR-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49084;MM49084;CC(C#CCN)CNC=O;OEFXOMQDFBGMEF-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49085;MM49085;C=CNC(=NN=CC)NC;AQHXKVCQPCXGOR-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49086;MM49086;NCC#CCC=CC(N)=O;FCUVTFJVNXQRGU-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49087;MM49087;C#CC(CF)CNCC#N;HCWFRWHNHJSYPZ-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49088;MM49088;CCC=NNC(=O)NC;NEZLJQQZIZJVEJ-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49089;MM49089;CNC(=O)NN=CCO;DAGPVSACHZTALW-UHFFFAOYSA-N;131.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49090;MM49090;CCC=NNC(=O)NN;GXSBNCSFISVIAL-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49091;MM49091;CCC=NNC(=O)NO;IRWOVFQIDYCICX-UHFFFAOYSA-N;131.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49092;MM49092;C#CC#CC(=NOC)NN;NVISWFDVQSTVTH-UHFFFAOYSA-N;137.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49093;MM49093;C=CC(C#N)NC(=N)CF;MRJNVAOOAOSXMF-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49094;MM49094;COCOC(N)=CC=NO;LRJGSKXHGZAJJZ-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49095;MM49095;CNC(=O)NN=COC;NALMPOKXAZRFRX-UHFFFAOYSA-N;131.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49096;MM49096;COC=NNC(=O)NN;LBMVUEHRXFMSKY-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49097;MM49097;COC=NNC(=O)NO;NKYPZSGEFUQGJV-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49098;MM49098;C#CC(=CF)N(N)C=NO;HBYXPJOIVWUACE-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49099;MM49099;COC(=CF)N(N)C=NO;DGMKTVXVDPYHDZ-UHFFFAOYSA-N;149.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49100;MM49100;CN(C=O)C(C=CN)=NO;HEZHYAJHQABPHJ-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49101;MM49101;COC(=O)NN=CCO;BZBNAJDFPIVIQT-UHFFFAOYSA-N;132.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49102;MM49102;COC(=O)NN=CCF;LCPPKIGGHUTTSR-UHFFFAOYSA-N;134.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49103;MM49103;C=C(CO)CC#CCN;CVOOLRAQXKXZMZ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49104;MM49104;COC=NNC(=O)OC;AWFNSVHPRCZTDI-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49105;MM49105;C=C(CO)OC=CCO;BPCVMKJPSAOSMG-UHFFFAOYSA-N;130.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49106;MM49106;O=C(CO)OC=CCO;KOBLDMACQKADAD-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49107;MM49107;C=C(CO)OC=COC;CUZMKFPUYATPSK-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49108;MM49108;COC=COC(=O)CO;BKQKGXYYTHAYFL-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49109;MM49109;CC(C#CCN)CO;OXPWRKZMJVGWES-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49110;MM49110;CCN=C(C)NC(=O)NC;WXKXAHUOWSEAMT-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49111;MM49111;CNN=COC(=O)CO;KJJSJNURLMIKGP-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49112;MM49112;C#CC(O)C(=O)C(=N)N;SZBYSSJLZQUYLH-UHFFFAOYSA-N;126.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49113;MM49113;CNC(=NO)NN=CCO;ULCLLICVTNRVOU-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49114;MM49114;C#CCC(C#CCN)CO;AYUHYSHZVGFFEY-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49115;MM49115;C=C(CC#CCN)CCO;CTLBDLVHKVQBOM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49116;MM49116;C#CCC(=N)N(O)C=NN;GORLPPRXDLXMRR-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49117;MM49117;CC(=CCN(C)C)CCO;AFYGNPVKLQLMNG-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49118;MM49118;CC=NNC(CO)=NC;XBRJVFISLWFAQH-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49119;MM49119;CC(C)C(C#CCN)CO;VDYCBVJEFFMQRV-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49120;MM49120;CNC(=O)ON=CCF;AEEJXGUWCXYJMM-UHFFFAOYSA-N;134.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49121;MM49121;NNC(=O)ON=CCO;UQCVAIBWJCNNPJ-UHFFFAOYSA-N;133.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49122;MM49122;CCON=CN(O)C=N;NMKQTQCBJGZALC-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49123;MM49123;C#CC=NN=CN(O)C=N;MCIIGZZNWLWMMC-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49124;MM49124;CNC(=O)ON=COC;XYCYUFBDXIPPLI-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49125;MM49125;COC=NOC(=O)NN;AWVMDAXEGLSNCT-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49126;MM49126;C=CC=CCC(=O)CO;VDTTVNWJPTYGFR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49127;MM49127;O=CC=CCC(=O)CO;CRUNHTKNMPPRDU-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15293;MM15293;C=CC=CCC(=O)CF;BIADJGNNRAPBGY-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49128;MM49128;C=CC(O)C(C)C#CCN;NXCVZNQSKMTYHY-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49129;MM49129;CNC(=O)CC=CC#N;FSEHTFZLHOSKFH-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49130;MM49130;C=NN=CCC(=O)CO;AAUCPTQYJBHWIF-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49131;MM49131;C=NN=CCC(=O)NC;VXZBQKAFRZUGRN-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49132;MM49132;C=CN(O)C(=N)CF;BTBJPFUSFIAJAV-UHFFFAOYSA-N;118.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49133;MM49133;C=CN(O)C=NC(C)=NC;IZJWZDBQUKBUCG-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49134;MM49134;O=CC=CNC(=O)CF;SFHFJQICFPARDX-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49135;MM49135;N#CC=CNC(=O)CF;JPHPKDDGACNPHE-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49136;MM49136;C#CCN=CN(O)CCF;JNCBJWYKGHTRFG-UHFFFAOYSA-N;144.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49137;MM49137;C#CC(=N)NN=CCO;QHVAFNUHFZZVPX-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49138;MM49138;C=CC=CNC(=O)NC;QDYHKQZEITZDSC-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49139;MM49139;CNC(=O)NC=CC#N;BPENPWWYGQBKMT-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49140;MM49140;CNN=CN(C)N=CNO;ZKJXMQFEOUICDY-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49141;MM49141;C=CC=CNC(=O)NO;SPKQJFNJMLCTLV-UHFFFAOYSA-N;128.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49142;MM49142;C=CC=CNC(=O)OC;VJJDBGRCRYULPM-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49143;MM49143;COC(=O)NC=CC#N;ZPFVASSGDQTDHX-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49144;MM49144;C=C(CC)N=CNC=O;VSVXZUAPQHEEPZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49145;MM49145;C#CC(OC)C(=O)C(=N)N;LOIJNZUXONHTTL-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49146;MM49146;C=NN=CNC(=O)CO;HZPYYJBFQJQMIT-UHFFFAOYSA-N;129.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49147;MM49147;C#CC(=N)NN=CC=NN;QJHCTNONYHLHLM-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49148;MM49148;C=CNC(=NN)OC=NN;SNXLXDZGJAWMQN-UHFFFAOYSA-N;143.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49149;MM49149;CNN=C(NN(C)C)OC;KCVIQLMUQMRMPE-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49150;MM49150;CNC(=O)N=CNC=O;PGCZXVTYCLLLDL-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49151;MM49151;COC(=NC=NC=O)NN;DBQUOUCXXVENQQ-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49152;MM49152;C=NN=CNC(=O)NC;CPNOYYRRIWPSEJ-UHFFFAOYSA-N;128.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49153;MM49153;C=C(F)C#CC(=NN)NN;WPZXHGNINQOQBM-UHFFFAOYSA-N;142.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49154;MM49154;COC(=O)N=CNC=O;OBJPSHCJUNSSND-UHFFFAOYSA-N;130.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49155;MM49155;C#CC(=N)NN=CCOC;BJWMJDMFYOLXAS-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49156;MM49156;C=NN=CNC(=O)OC;KUNFOJNIYRUPGT-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49157;MM49157;C#CC(=N)NN=CC=C;HFBBPMSQBYHNMS-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49158;MM49158;C#CCN=C(NN)OC=O;UKCSDACVLOCMDH-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49159;MM49159;N#CC(=N)NCCC=NO;OGDBYDACCYDCKH-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49160;MM49160;COC(C=C(C)N)=NO;RXDGCGUFLPETRE-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49161;MM49161;C=NOC(=NO)N(C)N;ALPMWNWOHMGCHB-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49162;MM49162;CCC(=O)NN=CC#N;LRGXTILVQWDQDU-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49163;MM49163;C=CC=NNC(=O)CO;FCTVMWKEQQQTFG-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49164;MM49164;N#CC=NNC(=O)CO;ORFBSADQDWJHJF-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49165;MM49165;O=CC=NNC(=O)CF;FFAAMCFBNZDJBJ-UHFFFAOYSA-N;132.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49166;MM49166;COC(CC#CCN)OC;JYOJIWVOUVVSAZ-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49167;MM49167;CNC(CC=NOC)=NO;NNLGTSZBWMZALC-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49168;MM49168;N#CC=NN=CN(O)C=N;VPYHNEKMBJJUGB-UHFFFAOYSA-N;139.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49169;MM49169;NC=CC=NNC(=O)CO;KCSCBIFUMMVFHG-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49170;MM49170;CNC(=NO)C(=CN)OC;NZQXVYKYTIDIFW-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49171;MM49171;C=CC=NNC(=O)NC;CXTGYFGCHTWKQV-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49172;MM49172;CNC(=O)NN=CC=O;NCAAFWAORNELNT-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49173;MM49173;CNC(=O)NN=CC#N;QYFIJVVQWPPYBE-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49174;MM49174;C=CC=NNC(=O)NN;OZSHGJZNMFGVJQ-UHFFFAOYSA-N;128.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49175;MM49175;C=CC=NNC(=O)NO;MSAYFEGUMKKIJL-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49176;MM49176;O=CC=NNC(=O)NO;JUFVQAAMDOVURV-UHFFFAOYSA-N;131.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49177;MM49177;N#CC=NNC(=O)NO;NVWTUXGYTMDHHF-UHFFFAOYSA-N;128.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49178;MM49178;NC(N)=CC=NNC=O;DTIAVGZEJDONCI-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49179;MM49179;CN(C)C(=CC#N)NC=O;ONIDPPMJYXDYND-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49180;MM49180;C=CC=NNC(=O)OC;KZLWWDKLBCIABE-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49181;MM49181;COC(=O)NN=CC=O;IAECBRDCWLEPHI-UHFFFAOYSA-N;130.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49182;MM49182;COC(=O)NN=CC#N;AJIHXCAFJZRPQA-UHFFFAOYSA-N;127.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49183;MM49183;C=C(CO)OC=CC=O;WAVLJYYQIOWSOP-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49184;MM49184;C=C(CO)OC=CC#N;YCAVTZMMKZOLAN-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49185;MM49185;N#CC=COC(=O)CO;OGOJEJMUWAMZSI-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49186;MM49186;C=NN=COC(=C)CO;DTXQFGIJGSRIPY-UHFFFAOYSA-N;128.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49187;MM49187;C#CC(=N)NN=CC(C)O;LFAHTNQYEUSXHQ-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49188;MM49188;C=NN=COC(=O)NC;VFVKGZMQBTXIFD-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49189;MM49189;C=NN=COC(=O)NN;NFFDRFGXWMUWNQ-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49190;MM49190;C=CC(F)C(=N)NO;QEFXHNRGSIAXQN-UHFFFAOYSA-N;118.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49191;MM49191;O=CC=NOC(=O)CO;STDODCUNBKEDCZ-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49192;MM49192;N#CC=NOC(=O)CO;UPEUAYJACLLSMJ-UHFFFAOYSA-N;128.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15909;MM15909;N#CC=NOC(=O)CF;PTDNQSJXEGFGGU-UHFFFAOYSA-N;130.08;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49193;MM49193;C#CCC(=NNCC)NO;BOIPZOODKVUUHU-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49194;MM49194;CC(C#N)(C#N)ONC=N;LASRGTWBNGUDRO-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49195;MM49195;CC(O)C(C)C#CCN;RSGVRUDWTGAEHP-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49196;MM49196;COC(=NN=CNN)NN;SGEMFGOHPBBFDN-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49197;MM49197;C=C(CC=O)NC(=N)C=O;GJZXRTXMBBGAMX-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49198;MM49198;CNC(=O)ON=CC=O;CXITYNRGVGAQIV-UHFFFAOYSA-N;130.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49199;MM49199;CNC(=O)ON=CC#N;YBXLFKBYJOFNRJ-UHFFFAOYSA-N;127.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49200;MM49200;C=CC=NOC(=O)NO;SDAMJGZWVANPRK-UHFFFAOYSA-N;130.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02874;MM02874;COC(=O)ON=CC#N;PAJFCOOPRHTWQJ-UHFFFAOYSA-N;128.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49201;MM49201;C#CC=CCC(=O)CO;KGTVYCLGPLAHTP-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49202;MM49202;C#CC(=N)NN=CCF;DTQRQPWQZBGVFL-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49203;MM49203;C=CNC(=NN)NOC;UCNBKLGFZQCHKL-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49204;MM49204;C#CC=CNC(=O)NC;ZUIKMGIRZRDHHH-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49205;MM49205;NC(=CC=NO)OCCO;ICZAKCFIEDFMRU-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49206;MM49206;N#CC#CC=NNC(=N)N;JDSSEYLEOBZGPZ-UHFFFAOYSA-N;135.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49207;MM49207;COCC(C=NO)=CN;WJLHTVONAAPYIF-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49208;MM49208;C#CC=NNC(=O)CC;XHXXRJHMJKVKJQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49209;MM49209;CCOCC(C=NO)=CN;SQKUJWDKNVLRCN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49210;MM49210;C#CC=NNC(=O)CO;HYMAYYQVYVBMEZ-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49211;MM49211;C=NNC(=NC=N)NC=O;XYZIHOITWMVDJZ-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49212;MM49212;CCCOC(=N)NC=NO;FKJVEKZIEPFLTB-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49213;MM49213;C=COCCCNC=NN;FIYVXDHHRQEBHF-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49214;MM49214;C#CC=NNC(=O)NC;QVAQVJZMGGKRCX-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49215;MM49215;C#CC=NNC(=O)NN;OMIHFSHYMIGVPM-UHFFFAOYSA-N;126.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49216;MM49216;C#CC=NNC(=O)NO;IFSHPGDEAZGGRY-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49217;MM49217;CC(=NO)N(C)CCF;GYYGBQIRQFRZGC-UHFFFAOYSA-N;134.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49218;MM49218;C#CC=NNC(=O)OC;QYPFUAIJXWFHKP-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49219;MM49219;C#CC=NOC(=O)CO;SDVQLCRJIVVWCL-UHFFFAOYSA-N;127.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49220;MM49220;C=CN(N)C=NC(=O)CO;KDLVNZFRNCMXTC-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49221;MM49221;C=CNC(=NOC)NN=C;ZGRGXLQHSVKDTJ-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49222;MM49222;C#CC=NOC(=O)NC;BOWUTCGBHFKQFE-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49223;MM49223;C#CC=NOC(=O)NN;YXQNEIFYVCOUHH-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49224;MM49224;C#CC=NOC(=O)NO;WFZXLAINDGDDIP-UHFFFAOYSA-N;128.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49225;MM49225;O=CC(=O)CC=CCO;BQJOSQIQDKLEFX-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49226;MM49226;N#CC(=O)CC=CCO;PZVGIPZQYDGFTQ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49227;MM49227;N#CCON=CN(O)C=N;OKFMAVTVUPCESP-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49228;MM49228;C#CCON=CN(O)C=N;QANWGSUMVGJJFH-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02794;MM02794;CON=CCC(=O)C#N;PBWKPKKOUXGDTQ-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49229;MM49229;C=CC(=O)C(F)=CNC=N;XNMQIEYTTFSHQQ-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49230;MM49230;COC=CNC(=O)C=O;GKTBRWCHKLDKNA-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49231;MM49231;COC=CNC(=O)C#N;WFUFJTWENMHIGQ-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49232;MM49232;C=CC(=C)N(O)C=NC=N;QJFMWNGENCDIPN-UHFFFAOYSA-N;139.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49233;MM49233;CCN=CNC(=O)C#N;MLWQRCQNDBFAQL-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49234;MM49234;C=CC(N=CN(C)C)=NN;VMHYMBLMBFIMEG-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49235;MM49235;C=CC(=O)NC=NNC;MWTRKMHZUHEBGM-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49236;MM49236;CNN=CNC(=O)C#N;JDVIRSWMNXMWQH-UHFFFAOYSA-N;126.12;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49237;MM49237;CC(=O)OC(=N)N(C)O;XUWDWVHCRZDDOT-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49238;MM49238;N=C(NO)C(F)C=CCO;PFZGOYRPJQEBOI-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49239;MM49239;CCN=C(C)N(C)C(N)=O;XPOUGHNTCCGBHN-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49240;MM49240;NC(C=O)=NN=CCO;WDRYPONGVRDSLZ-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49241;MM49241;CC=CNC(=N)C=NN;HHVDBXMXTAGVSO-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49242;MM49242;N=CNN=CCC#CCN;YLCJKVMHQGBZNV-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49243;MM49243;C=CC(=O)NN=CCO;BWWOXKFZYBLGGF-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49244;MM49244;CCC=NNC(=O)C#N;WVBFGDWURDGQFQ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49245;MM49245;O=CC(=O)NN=CCO;UJQGOYKEQXWTLJ-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49246;MM49246;N#CC(=O)NN=CCO;NUQPXNABLKSCJH-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49247;MM49247;C#CC(=O)N=CN(N)C=C;RCPUFZVRBODMAM-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49248;MM49248;C=CCN(C=NN)C=NN;VOUJQZRGTFHIMB-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49249;MM49249;C=CC(=O)NN=COC;DTEAEHZKHWJPEV-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49250;MM49250;COC=NNC(=O)C=O;VVWCMHUCVJLQNO-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49251;MM49251;COC=NNC(=O)C#N;AQKGVWURAXSNCY-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49252;MM49252;C=C(C#N)OC=CCO;IQACOOFAGLIFKE-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49253;MM49253;COC=COC(=O)C=O;PLVNXHGMHVNPED-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49254;MM49254;C#CC(=NNC)NC=CF;GPTYYTNNJAFNAV-UHFFFAOYSA-N;141.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49255;MM49255;C=C(C)C(N=CNO)=NO;IFUSGAWXBFMXRG-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49256;MM49256;C=COC(C=C(C)N)=NO;OQUAKRXDQHVDCN-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49257;MM49257;C=CN(OC)C(=N)C=CN;RWFFFCJUFPOSGA-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49258;MM49258;N#CC(=O)ON=CCO;KRRPSPMRVJRPHL-UHFFFAOYSA-N;128.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49259;MM49259;C=CNC(=NNC=O)NN;GABJCLZVJKFBDJ-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49260;MM49260;C=C(C=O)CC=CC#N;LHIKAIQPPNSVMC-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02540;MM02540;C=CC(=O)CC=CC#N;NWTAPEIQZUREOO-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02210;MM02210;C=CC=CCC(=O)C=O;CROQPJRNXGQLOJ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15598;MM15598;N#CC=CCC(=O)C=O;RUBHQQVLIKRABF-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49261;MM49261;C#CC(=O)N(C)C(=N)N;OYYLZJOUPBXDRA-UHFFFAOYSA-N;125.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49262;MM49262;C=CC(=O)NC=CC=O;YGKZYYGXYQYBRZ-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49263;MM49263;O=CC=CNC(=O)C=O;MPGRDVSATBCORP-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49264;MM49264;N#CC=CNC(=O)C=O;IMDRSVXKZKLZMZ-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49265;MM49265;N#CC=CNC(=O)C#N;WQBSPDNLVNCPRI-UHFFFAOYSA-N;121.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49266;MM49266;C=CC(=C)N=CNC=O;UYGKNDKKMRCWLU-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49267;MM49267;C=C(C#N)N=CNC=O;MKLRAGDSXAEQHD-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49268;MM49268;CNC(N)=CC(=N)NOC;ZDNFDOCJFPDQHT-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49269;MM49269;CC=C(C)C(=O)NC(C)=N;WLWGWSSIDPHTLC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49270;MM49270;C=C(C#N)NC(=N)NCC;IJXJFMBHIPKFPA-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49271;MM49271;N=C(C=O)N=CNC=O;KYFZQURBPBKIEO-UHFFFAOYSA-N;127.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49272;MM49272;N#CC(=N)N=CNC=O;DMMQZZOZCMSNBO-UHFFFAOYSA-N;124.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49273;MM49273;N#CC(=O)NC=NC=N;KSQIGPWBDICYFS-UHFFFAOYSA-N;124.1;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49274;MM49274;CC(=NC(=O)CO)N(C)C;HBOQUZYIOYNAQJ-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49275;MM49275;CNC(C#N)CO;OGNSMAUMSJMOPO-UHFFFAOYSA-N;100.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49276;MM49276;C=C(OC=NO)C(C)N;PABIQCKKFAUVPH-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49277;MM49277;C=NN=CNC(=O)C#N;VXIIWKJVOOCUHP-UHFFFAOYSA-N;124.1;-0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49278;MM49278;CN=C(NO)OC=NN;ZFXULCFGTUJPLG-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49279;MM49279;C=C(CNCC)OC=NO;GEPSXNWPXAFQNO-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49280;MM49280;CN=CN(N)C=CC=NO;FMLGLZAJPOVQPY-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49281;MM49281;N#CC=NNC(=N)C=O;AJUCPUNWKBCZHR-UHFFFAOYSA-N;124.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49282;MM49282;CN=C(NO)OC=NNC;NYJLQJXCLFQHEK-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16079;MM16079;N#CC=NNC(=N)C#N;AUYAUINUGALUOF-UHFFFAOYSA-N;121.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49283;MM49283;C=CC(=O)NN=CC#N;RHVLQLZRCIEDBZ-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49284;MM49284;N#CC=NNC(=O)C=O;XISGLLWPZRETBO-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49285;MM49285;N#CC=NNC(=O)C#N;YDUCJSJIBHTELC-UHFFFAOYSA-N;122.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49286;MM49286;C=C(C=O)OC=CC=O;ZUMKLBPOWXEUIJ-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49287;MM49287;C=C(C#N)OC=CC=O;VPPYJOAKHAULDS-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49288;MM49288;O=CC=COC(=O)C=O;LJOAAHNECXFNHE-UHFFFAOYSA-N;128.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49289;MM49289;N#CC=COC(=O)C=O;SPDUODNLOGYVGT-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49290;MM49290;N#CC(=O)OC=CC=O;LHYKQJSBQZXHTI-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49291;MM49291;C=NN=COC(=C)C=O;KJAZUMPUNVXOJJ-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49292;MM49292;C=NN=COC(=O)C=O;GUPZOZTUPRXHOI-UHFFFAOYSA-N;128.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49293;MM49293;C=NN=COC(=O)C#N;NVGMUCDJXZFTCQ-UHFFFAOYSA-N;125.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02730;MM02730;C=CC(=O)ON=CC#N;KAQWAGRUQYPGQY-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15910;MM15910;N#CC=NOC(=O)C=O;FCDTZCRSIQNLEO-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49294;MM49294;N#CC(=O)ON=CC=O;QADXPYOGHZTBFU-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15599;MM15599;C#CC=CCC(=O)C=O;ILYNMTWUNUEGQM-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49295;MM49295;C#CC=CNC(=O)C=O;NSHSLOMAXOOLEA-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49296;MM49296;C#CC=CNC(=O)C#N;DNVIYUAEAPFWHJ-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49297;MM49297;CNC(C)C(=O)NCC#N;QZWKIBMFKLQMKV-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49298;MM49298;C=CC(N)C(O)C#CC;FHUBVQOIUJMMRT-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49299;MM49299;C#CC=NNC(=O)C=O;USWWWGXBGMHTEO-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49300;MM49300;C#CC=NNC(=O)C#N;ZUMJLZLJEAVUKJ-UHFFFAOYSA-N;121.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49301;MM49301;C#CC=COC(=O)C#N;DXKYTSJONYCJCO-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49302;MM49302;C#CC(=O)CC=CCO;CJNCHHOHELDZTK-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49303;MM49303;C#CC#CCC(=NN)NO;JXKFEXMLOFDAMQ-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49304;MM49304;C#CC(=O)NC=CCF;QGLNFCCGOHDNMN-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49305;MM49305;C#CC(=O)NC=COC;IERXMCBKRPQVHD-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49306;MM49306;C#CC(=O)NC=NCC;BJDZYHWKMWLQKO-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49307;MM49307;C#CC(=O)NC=NNC;NBCCYDZLIKWOAG-UHFFFAOYSA-N;125.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49308;MM49308;C#CC(O)C(N)C=C(C)C;CCFHYQAINYFBJF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49309;MM49309;C#CC(=O)NC=NOC;GUAGQSIDZIHSBT-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49310;MM49310;C#CC(O)C(N)C=CC=C;LLIRTMAGKBXOHO-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49311;MM49311;C#CC(C)(N)C(O)CC;ZLJDLHODAJIBOX-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49312;MM49312;CCON=CN=C(C)NO;XOODWXZHPDMFQA-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49313;MM49313;C=COCC(O)CN(C)C;SACVMYMPKFMNNB-UHFFFAOYSA-N;145.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15489;MM15489;C#CC(=O)NN=CCC;JKUKETQTEJNJHH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49314;MM49314;CCOCC(O)CN(C)C;ZFLHULGZXVBRNR-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49315;MM49315;C#CC(=O)NN=CCO;NGYLZSDSQLWLOW-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49316;MM49316;C#CC(=O)NN=COC;KAMCJBHIHXBTEG-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49317;MM49317;C#CC(=C)OC=CCO;NMRDTNRXBNLNRU-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49318;MM49318;C#CC(=O)OC=COC;UYLWPDHEWUPZNJ-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49319;MM49319;C=CCC(=O)C(N)=NC;YJHBDYLAMQYSGN-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49320;MM49320;N=CN=C(NN)OC=O;MIEYHNQPDDDHQI-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49321;MM49321;C#CC(=O)ON=CCO;WTFCXYLTCWKPAR-UHFFFAOYSA-N;127.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49322;MM49322;CN(O)C(=N)NC(=N)CO;CHAOHRSJKDEWQY-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49323;MM49323;C#CC(=O)NC=CC#N;DMQNOODIQFQRKV-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49324;MM49324;C#CC(=N)N=CNC=O;CCWPJCYYKCVLBY-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49325;MM49325;C#CC=CN(N)C(=N)CO;BMTVOLIILFQFDR-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49326;MM49326;C#CC(=O)NC=NN=C;CNZCUTHWEPCJRH-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49327;MM49327;N=C(CF)NC=NC=NN;FFYPAXWCZBFPIZ-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49328;MM49328;C#CC(O)CC#CCN;NIPGBPCLLVEPFH-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49329;MM49329;C#CC(=O)NN=CC=O;PRQSEEFXMWXECM-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49330;MM49330;C#CC(=O)NN=CC#N;ZOHMVIJZGMRKHY-UHFFFAOYSA-N;121.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49331;MM49331;C#CC(=O)OC=CC=O;CCBFRVGAAFEJDO-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49332;MM49332;C#CC(=O)OC=CC#N;QTRMWTUUGUVLDC-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49333;MM49333;C#CC(=O)OC=NN=C;GQEPJJRQZHEQRQ-UHFFFAOYSA-N;124.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49334;MM49334;C#CC(=O)ON=CC=O;LGSPBBNPZXZYKU-UHFFFAOYSA-N;125.08;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15907;MM15907;C#CC(=O)ON=CC#N;MHHAPGBSDRYDHJ-UHFFFAOYSA-N;122.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49335;MM49335;C#CC=CNC(=O)C#C;UZJLTTZBVWGPFG-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49336;MM49336;CCNC(=NN)OC=O;WEZTUNXHGZOXJC-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49337;MM49337;C#CC=NNC(=O)C#C;NVLXWINKFFYYKH-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49338;MM49338;CNN=CN(C)C=NC=O;OXJSZOCPPYIQIP-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49339;MM49339;CCCCN=C(CO)NN;HCDAFJLNHVLZJE-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49340;MM49340;C=CCC(C#CCO)NC;MPXUVXAJPMTLHS-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49341;MM49341;CON=CNC(=N)OC;MJCAPRAVOFTXEB-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49342;MM49342;C#CC(CO)(CCC)NC;TXUKXONSYJPIQD-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49343;MM49343;CN(C)C(C=O)C=O;YSZOVFDUXMLYDT-UHFFFAOYSA-N;115.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49344;MM49344;C#CC(N)(CO)CCC;SUXHRMMTTCSADI-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49345;MM49345;CC(=NO)NN=CCO;RHVNJGOMXWKVLF-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49346;MM49346;CC(=NO)NN=CCF;DJSOYJSCBFRCHX-UHFFFAOYSA-N;133.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49347;MM49347;CN(C)C(CO)CCO;ZNKSSXQRMZQHPQ-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49348;MM49348;N#CC(O)C(=O)C(=N)N;AJQWWCFWXYJEGQ-UHFFFAOYSA-N;127.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49349;MM49349;C#CC(C)(O)CC#CCN;RLAFJIPKTAXULV-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49350;MM49350;CC(=NO)N(N)C=NC=N;KEDZAAFHHYVUBC-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49351;MM49351;CC(C)OC(=N)NC=NO;VUSANSZJOQJITC-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49352;MM49352;COC=COC(C)=NO;HESFMQPCPSZXTK-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49353;MM49353;C#CC(CC(C)(C)O)NC;OKVGMPWXVKLEPK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49354;MM49354;CNN=COC(C)=NO;OXGQFFRSRMPKGV-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49355;MM49355;COC=NNC(=NO)NN;WDJSITJSDWJNSI-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49356;MM49356;CON=COC(C)=NO;ZNQRMZIOOWMDIA-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49357;MM49357;CC(=NO)ON=CCF;XYBHDSLAKAFMTA-UHFFFAOYSA-N;134.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49358;MM49358;CC(O)CCN(C)CCO;LEXQPCSWDKUJDG-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49359;MM49359;COC=NOC(C)=NO;ZMVLQDZFLGDOMX-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49360;MM49360;C#CC(N)C(C)CO;GZRYOHYWTBVSPL-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49361;MM49361;N#CCNC(=N)NCCO;BELYEWPYDHOPLI-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49362;MM49362;CC(F)=C(C)CNCCO;ANVHDUQSLWZMQQ-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49363;MM49363;CN=C(C)N=CNC=O;XGEJLESSVHBDEO-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49364;MM49364;C=C(C#N)NC(=N)CCO;AQTDHQIEOLZBNB-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49365;MM49365;C=NNC=NC(C)=NO;HAUSPKPLBTVQPQ-UHFFFAOYSA-N;128.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49366;MM49366;C=CC(=N)N(O)C(=N)C#N;RESGPPRDCUERPG-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49367;MM49367;CNN=C(CO)N(C)O;UNUVWEVWOZXLND-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49368;MM49368;CC(=NO)NN=CC#N;DPWUXJJNSHVUQJ-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49369;MM49369;CC(=NO)OC=CC=O;FJBMTLLWRGSVKI-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49370;MM49370;CC(=NO)OC=CC#N;PLGNBMMRSWHZSW-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49371;MM49371;NCC#CCC(F)CCO;GCAFGAHRTUBCKM-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49372;MM49372;C=NN=COC(C)=NO;DSVAINWDSQDKLP-UHFFFAOYSA-N;129.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49373;MM49373;C=CC=NOC(C)=NO;XWYAVDREJVTHOM-UHFFFAOYSA-N;128.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49374;MM49374;CC(=NO)ON=CC=O;KSOUKSYFCLPGOU-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49375;MM49375;C#CC(=C)C(CCO)NC;NRMXNRNMFDMJCL-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49376;MM49376;CC(C)(CCO)C(F)CN;RMWKVBSZUGSXAE-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49377;MM49377;C#CC=NNC(C)=NO;YVSJQLJXUPYASA-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15455;MM15455;C#CC=COC(C)=NO;RNOSTZDHSHZHDY-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49378;MM49378;NCC#CCCO;XJAHFKYPLPLAOF-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49379;MM49379;C#CC=NOC(C)=NO;LUDSQUISASTOJA-UHFFFAOYSA-N;126.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49380;MM49380;COC=NN=CN(O)C=N;SSDMOPVHEPRXLT-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49381;MM49381;CC(CC#CCN)NC=O;XFYBAJAZNGVAKL-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49382;MM49382;C#CC(C#C)N(O)C=N;OMCNUZFXPNAMTB-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49383;MM49383;C=CC#CCC(O)CO;RMFBXRPAEXFTGD-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49384;MM49384;N#CC#CCC(O)CO;KSEOFCGIBLUGHT-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49385;MM49385;CCC(F)CC#CC#N;QCRGCIVAGQFJBM-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49386;MM49386;C=C(C)C(N)CNC(C)=O;GKEZSUCCSOANAX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49387;MM49387;C#CC#CCC(O)CO;MYKQKTVSYCUSBV-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49388;MM49388;N=C(NN=CNO)C(N)=O;MUPHQJUWNOUPKI-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49389;MM49389;CN(O)C=NNC=CC#N;GGFDEKICEDFPOS-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49390;MM49390;C=CC(O)CC#CCO;HJOXSAKARIJRFE-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49391;MM49391;O=CC(O)CC#CCO;BMIWJKTWKVDFCT-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49392;MM49392;O=CC(O)CC#CCF;QUUZLLXAOBKHMH-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49393;MM49393;N#CC(O)CC#CCF;QDBDGAOSOVTYNZ-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49394;MM49394;CN(C=O)CC#CCO;NBFQMENMXPBXMF-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49395;MM49395;CC(C#N)CC#CC#N;FDOKCPTVRFVVQV-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49396;MM49396;C=CC(O)CC#CC=O;VIKDGSDVEJWAFD-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49397;MM49397;C=CC(O)CC#CC#N;DHWBPVNJAWMGDD-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49398;MM49398;C=CC#CCC(O)C=O;DOLPGDPGGPKLJS-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49399;MM49399;C=CC#CCC(O)C#N;IAZMWVGBPRNZFX-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49400;MM49400;O=CC#CCC(O)C=O;VMGDQNMUNBRBKO-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49401;MM49401;N#CC#CCC(O)C=O;DPVUCMMCEWJSGV-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49402;MM49402;N#CC(O)CC#CC=O;RFCLVIQDTIAPHK-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49403;MM49403;N#CC#CCC(O)C#N;VSWZEWDDHCXVMU-UHFFFAOYSA-N;120.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15298;MM15298;N#CC#CCC(F)C=O;KTHJGOOSFWEPIS-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15957;MM15957;N#CC#CCC(F)C#N;NDPBXMOMCRLXRU-UHFFFAOYSA-N;122.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49404;MM49404;C=NNC(=N)C=CF;DBSZDOZETQLCKR-UHFFFAOYSA-N;115.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49405;MM49405;C#CC#CCC(O)C=O;AVKPNHLWWPQSSY-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49406;MM49406;CC(=NO)N(C=N)C=N;JPQKTMKOYNCJFD-UHFFFAOYSA-N;128.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49407;MM49407;C=CC(O)CC#CCN;GPHSKYJFMKSITQ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49408;MM49408;C#CC(O)CC#CCO;IZTFCTZLIOJKNG-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49409;MM49409;C#CC(O)CC#CC=O;JXHRGYRTPLLMMX-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49410;MM49410;C#CC(CO)CC#CCN;GJJFGUMOKSAOHW-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49411;MM49411;C=C(C=O)C=CC(N)=NO;ATEJHMPOWBQGJF-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49412;MM49412;O=C(CO)CC#CCF;OTVZZOXDFFTXJI-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49413;MM49413;CNC(=O)CC#CCF;IPVHPVZUAQCDNF-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49414;MM49414;CC(C#CCN)CCO;BMLVMXZBPQGTOW-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49415;MM49415;O=C(CC#CCF)NO;HMJXIFFQPSTVMQ-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49416;MM49416;C=C(CO)CC#CC=O;BDVSIQQPQMQPEI-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49417;MM49417;C=C(CO)CC#CC#N;MURVXVWDIODJSD-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49418;MM49418;C=CC#CCC(=O)CO;AYBQPACLOJTMCJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49419;MM49419;O=CC#CCC(=O)CO;ADVFHYVDIFTVKT-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49420;MM49420;N#CC#CCC(=O)CO;HZCKFJRQKGNUFK-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15602;MM15602;N#CC#CCC(=O)CF;FGQWYHNGSQKFMY-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49421;MM49421;NC=CC=NOC(=O)CO;UWNPSKKHFMINSL-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49422;MM49422;C=CC#CCC(=O)NC;JKBUDGPXNSGRBQ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49423;MM49423;CNC(=O)CC#CC#N;CLOULTMBTCAHDD-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49424;MM49424;C=CCNC(=NN=C)NC;UVEJURNRIUOVNQ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49425;MM49425;N#CC#CCC(=O)NO;WOKUVYVKHIXEIC-UHFFFAOYSA-N;124.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49426;MM49426;COC(=O)CC#CC#N;FIOGPMOFEROIME-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49427;MM49427;C#CC#CCC(=O)CO;ILUJZTJFEVVHHH-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49428;MM49428;C#CC(=N)N(O)C(=N)C#C;LEUAITKOVNHNQE-UHFFFAOYSA-N;135.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49429;MM49429;C#CC#CCC(=O)NO;LPLUVNCOXMGTNA-UHFFFAOYSA-N;123.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49430;MM49430;C=C(C=O)CC#CCO;KDGQOWBAPUGBOO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49431;MM49431;C=CC(=O)CC#CCO;HUJPHDRJFAHEKU-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49432;MM49432;O=CC(=O)CC#CCO;LVRSTLLVFCNTGD-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49433;MM49433;N#CC(=O)CC#CCO;BLZCIOAUSLURKX-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15586;MM15586;O=CC(=O)CC#CCF;XJOAQEQHGWHBCQ-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49434;MM49434;C=C(C#N)CC#CC=O;PEUMOSUUIIEGDH-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49435;MM49435;C=C(C#N)CC#CC#N;UISHUBIULSKXBK-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01617;MM01617;C=CC#CCC(=O)C=O;JMNCEIYCJIWGEQ-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15585;MM15585;N#CC#CCC(=O)C=O;JVMFUZDQMXMGRG-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15561;MM15561;N#CC#CCC(=O)C#N;CXERBRHKZWKXSA-UHFFFAOYSA-N;118.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16568;MM16568;C#CC#CCC(=O)C=O;PJOMMHVEJTZZQE-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15562;MM15562;C#CC#CCC(=O)C#N;BBDFJMFPTLRRBE-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49436;MM49436;C#CC(=O)CC#CCO;PLZOHGXUIOOSMW-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15766;MM15766;C#CC(=O)CC#CC#N;HYGYPUSOZNGWIA-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49437;MM49437;CN=C(CO)NN=CCO;JFXXZXVARCCJTE-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49438;MM49438;CC(CC#CCO)=NO;WQTBBSNZYYTBSW-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49439;MM49439;CC=C(C)CC#CC#N;CMDHPVUGZGKWPL-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49440;MM49440;CC(CC#CC=O)=NO;GANRTJLQLHBKOV-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49441;MM49441;OCCC=CC(O)CF;GHMWWQHWAKYAHC-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49442;MM49442;C=C(C)C(O)CC#CCN;XCFXYMVQUKEPHF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49443;MM49443;CNC(C)(C)CC(=O)C#N;OTTCBNSUINVYNU-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49444;MM49444;C=NN=COC(=NC)NO;WCFCPPKUBOCLOV-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49445;MM49445;CN=C(C#CC=O)N(C)O;BQCTVYZYEXIHFA-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49446;MM49446;C=CCC(O)CC#CCN;QAXFHFFNJRGCBZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49447;MM49447;CC(C)N(O)C=NC=N;PNZJUBWTHGZMME-UHFFFAOYSA-N;129.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49448;MM49448;CC(C)(O)CC#CCN;NGXUPIKVBDHRFG-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49449;MM49449;CNN=CN(O)CCC#N;GTHGPSZARZHXAP-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49450;MM49450;CC=CN=C(NN)C(N)=O;VRISCPGQFYNCPZ-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49451;MM49451;N#CCNCCO;FKDQPCXDUWTSBX-UHFFFAOYSA-N;100.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49452;MM49452;CNN=CN(OC)C(C)C;RPKSVBYDLKVCMV-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49453;MM49453;CC(C=O)=CCNN=CN;FHDCEKSEGJFMOY-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49454;MM49454;CC(=CC=O)CNN=CN;FFJFDZISNNPAAT-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49455;MM49455;N#CCC=CC(F)CO;BYEVYACILPWYCR-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49456;MM49456;CC(C=CNC=O)CF;TTWVFIWTMQSISY-UHFFFAOYSA-N;131.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49457;MM49457;CCC(O)C=CNC=O;DPMSLNRCFHTWEM-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49458;MM49458;COC(C)C=CNC=O;VWWGOYPVNWTFFG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49459;MM49459;C=COC=CC(O)CO;KJBODVVASIUFJP-UHFFFAOYSA-N;130.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49460;MM49460;O=COC=CC(O)CF;IJXMBDZPQSBYPE-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49461;MM49461;O=COC=CC(F)CO;AZRDFRIRYIEUIO-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49462;MM49462;CC(C=NNC=O)CF;IWRSGDVRQULPOB-UHFFFAOYSA-N;132.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49463;MM49463;C#CC(=NNC)NCC#N;ZKTGOZSCZLDVNV-UHFFFAOYSA-N;136.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49464;MM49464;CCC(F)C=NNC=O;ZGMFWQCCMULGEB-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49465;MM49465;O=CNN=CC(F)CO;DSPAREHJMYAUCN-UHFFFAOYSA-N;134.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49466;MM49466;N=CNC=NN;QRIVNNACIOIRER-UHFFFAOYSA-N;86.1;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49467;MM49467;COC(C)C=NNC=O;UDDFYMGUEXDRFG-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49468;MM49468;C=CC(=C)C(=N)NC=NN;VTASFQCLQZVKDE-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49469;MM49469;CNN=C(COC)C(=N)N;YBBNOSBCYGOJNN-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49470;MM49470;C#CC(=O)C(=C)C(N)=NC;LKARFMHOCHAMOG-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49471;MM49471;C#CC(=O)C(=C)CNC;VAZMMXBEQSLYPD-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49472;MM49472;CN=C(C=NN)NC;GVFIVMHLJQZOIH-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49473;MM49473;C#CCC=CC(O)CO;WFDJYSFALGAZAK-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49474;MM49474;C=CNC(=NC=NN)OC;GUQHJDNPIVZSJY-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49475;MM49475;CC(C=O)C=CCCO;OPHJULUTVBMOIN-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49476;MM49476;CCC(CN)ON=CCF;ZXXDKHZVOZWQTM-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49477;MM49477;C=CC(=N)NOC=NO;GAUIJIVQXSVWPR-UHFFFAOYSA-N;129.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01695;MM01695;CCCC=CC(O)C=O;ZWHKRVBPCJVCPO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49478;MM49478;O=CC(O)C=CCCF;NBUXGNFMYGPUHN-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49479;MM49479;C=CC(CC(=N)NO)=NO;OUVYPKSOWGYOID-UHFFFAOYSA-N;143.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49480;MM49480;COC(=O)C(=N)NN;KLAGWWJSDVNDGG-UHFFFAOYSA-N;117.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49481;MM49481;CCOC=CC(O)C#N;RTXGNDVOLHXOMV-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49482;MM49482;CCNN=CC(O)C#N;WYZKASJVWOTWJW-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49483;MM49483;C=CNC(=N)C(C)(F)C#N;HKZNVPUQDCIIIL-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49484;MM49484;COC(C)C(C=NO)=CN;DPRXYUXYVHAMKR-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49485;MM49485;CCON=CC(O)C#N;RIPIQJWDFPBLCG-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49486;MM49486;CN=C(NO)C(O)C#N;ZTIRNQXCBRNUBP-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49487;MM49487;CN(C=O)C=CCCF;UZCXIAONWZXMKY-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49488;MM49488;O=CN(O)C=CCCO;XGODJIUQTBZIAD-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49489;MM49489;O=CN(O)C=CCCF;CBEVFDVWFSCILZ-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49490;MM49490;COCC=CN(O)C=O;AOQYDALCBBPESG-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49491;MM49491;CCOC=CN(C)C=O;VGLUTVOXDDAAGU-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49492;MM49492;C=CCOC(=N)NC=NO;NJBCSAWDONHFBY-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49493;MM49493;CCOC=CN(O)C=O;HPWJSBKZTYLLQC-UHFFFAOYSA-N;131.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49494;MM49494;CN(C)C(C=C(N)N)=NO;XWRXIYVEKJKURR-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49495;MM49495;COC(=CC=NO)C(C)N;RVVJPSKDSXYYGJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49496;MM49496;CC=NNC(=O)NC(=N)N;OYVVHZAXNHPEEI-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49497;MM49497;C#CC(=N)N(O)C(=C)C=O;BFYRUOFAIPWJEO-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49498;MM49498;C=CC(O)C=CCC=O;DORRKKGXSXBVFW-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49499;MM49499;C=CCC=CC(O)C=O;IGRBPXCRPPKOOP-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49500;MM49500;N#CCC=CC(O)C=O;IVPFPIMOJMGCKQ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49501;MM49501;N#CCC=CC(O)C#N;BFLQLBKPMCHQNT-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15295;MM15295;N#CCC=CC(F)C=O;NGLSJTIGFYJLPY-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49502;MM49502;C=CN(N)C(=N)NC(C)=O;RRXLCCFEAANPDZ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49503;MM49503;CC(C#N)C=CNC=O;DNTXLYCQADJRMM-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49504;MM49504;C=C(CO)N(O)C=NN;YOILWAFJKJZCSY-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49505;MM49505;N#CC(O)C=CNC=O;USSRIOTYSYLFKF-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49506;MM49506;CC(C=O)C=COC=O;LVWPRWDRMTYMEF-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49507;MM49507;C=CC(O)C=COC=O;VSVJXAJGEJAAHG-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49508;MM49508;C=COC=CC(O)C=O;JSHLEFQSOLCBJQ-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49509;MM49509;C=COC=CC(O)C#N;JBHKMXMSTLQOON-UHFFFAOYSA-N;125.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49510;MM49510;N#CC(O)C=COC=O;VDTLDMDUNRUZQA-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49511;MM49511;C=CC(C)C=NNC=O;SGFQOTKKEFZQAG-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49512;MM49512;CN(C)C(=N)C(O)C#N;RRGZWUQIJMXILY-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49513;MM49513;CC(C=O)C=NNC=O;ULFMJTZMGLSFMA-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49514;MM49514;CC(C#N)C=NNC=O;MVSOFIRETADOSB-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49515;MM49515;C#CC(=C)C(=NN)N(C)O;GVQNHANFRPIFMN-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49516;MM49516;N=C(NO)NC(N)=NO;XUQQSQJEJMVBBA-UHFFFAOYSA-N;133.11;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49517;MM49517;O=CNN=CC(O)C=O;PGWYGFLKJVHMJS-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49518;MM49518;N#CC(O)C=NNC=O;UZMFRSPDZPOGNY-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49519;MM49519;N#CC(F)C=NNC=O;UILPNDCIRPNHFH-UHFFFAOYSA-N;129.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49520;MM49520;CN(N)C(=NC=N)C(N)=O;JURCMTVMQZPJSI-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49521;MM49521;C=CC(O)C=NOC=O;QVJZTULKBVETOF-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49522;MM49522;N#CC(O)C=NOC=O;PXVXNVUXRQUJKL-UHFFFAOYSA-N;128.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49523;MM49523;CNN=C(C=O)ON=CN;JVXBWHXYOLMJOU-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49524;MM49524;CN(C=O)C=CCC#N;DZJUEKVCEZVMDA-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49525;MM49525;C#CC(O)C(N)C=CC;FPWYURJYXJRKKU-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49526;MM49526;N#CCC=CN(O)C=O;DYADISZGAWTGPK-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49527;MM49527;CCNC(=NN)OC(C)=O;MABPUDKKURGLTC-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49528;MM49528;CN(C=O)C=CNC=O;CWLUPPYOHHQSHL-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49529;MM49529;C=COC=CN(C)C=O;UMTPMVPHTHPNGL-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49530;MM49530;CN(C=O)C=COC=O;DLSKXEAOCZUWDQ-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49531;MM49531;CCCOC(=O)C(=N)NN;AVRRRUAWNMYKPS-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49532;MM49532;O=COC=CN(O)C=O;QAKPFJYXCWPCQZ-UHFFFAOYSA-N;131.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49533;MM49533;NCC#CCC(F)(F)CN;KDDGHHCNUUJGFI-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49534;MM49534;CN(C=O)C=NCC#N;OOPBTBJNVMOTQC-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49535;MM49535;CN(C=NO)CCCC#N;ZDEYRNWWCGUEOH-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49536;MM49536;C#CC(C)(N)C(C)(O)C=C;XVLJIWLWGRNCAX-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49537;MM49537;C#CC=CC(=NO)N(C)C;DQSQJRGAAMYXLS-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49538;MM49538;C=CC(O)C(=CF)NC=N;KXXKGVBILQAEQW-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49539;MM49539;NC=CC=NOC(N)=O;OAWVLIWSWCDIAY-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49540;MM49540;CN(C=O)C=NNC=O;MXDUVLCQFQRUET-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49541;MM49541;N=CN(O)C(=N)NN;RAEATUMWWNFWFH-UHFFFAOYSA-N;117.11;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49542;MM49542;NN(C=O)C=NNC=O;WOIYUKVCESHQTP-UHFFFAOYSA-N;130.11;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49543;MM49543;C=CN(O)C=NNC=O;SRESHXXWCPVJOI-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49544;MM49544;NCC#CCCC(O)CF;RGCZTVMXYMXBGA-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49545;MM49545;CCCN=C(CO)NN;SJVNDNOMNHZNMR-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49546;MM49546;CN(C=O)C=NOC=O;BQJZIFXECAEKLH-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49547;MM49547;COCC(O)CNCC#N;BOZAZQUTPBYITA-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49548;MM49548;C#CC(C)(N)C(C)O;REFAGEAYDQUYNU-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49549;MM49549;C#CCC=CC(O)C#N;WFWWIISLZCSMCC-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49550;MM49550;CC(CO)N(C)C(=N)C=O;KHQOMYQZPPGEHS-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49551;MM49551;C#CC(O)C=CCC#N;ONVDRIQCUSZHOX-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49552;MM49552;C#CC(F)C=CNC=O;NTOLXIQRQGHPCU-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49553;MM49553;C#CC(O)C=COC=C;RQFIDKPRJHDYJL-UHFFFAOYSA-N;124.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49554;MM49554;C#CC(O)C=COC=O;YBQWGYUIGREYFF-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49555;MM49555;CNC(=N)NC(C#N)CO;ZPRWSMBRSBLINM-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49556;MM49556;CNN=C(CO)C(=N)N;LNDSQRNZKDAGID-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49557;MM49557;C#CC(O)C=NNC=O;SCXLARAWWHNZTK-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49558;MM49558;C#CC(F)C=NNC=O;NYVDVFOSZPVYNS-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49559;MM49559;C#CC(O)C=NOC=O;UALUIHSFTKQMMJ-UHFFFAOYSA-N;127.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49560;MM49560;C=CC(=N)N(CC=O)N=C;CKPMECCEUXIOLQ-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49561;MM49561;C#CCC(C)N(O)C(C)=N;UOAARUUILYFGEC-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49562;MM49562;C#CCN(O)C(=NC)NN;KRYULTVGAABTGE-UHFFFAOYSA-N;142.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49563;MM49563;CCCC=CC(=O)NO;JWQYOYNJIDUNQT-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49564;MM49564;O=C(C=CCCF)NO;NUVWTUVWGBFVPH-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49565;MM49565;CON=COC(=NN)NN;XTHRGKHLONBRCZ-UHFFFAOYSA-N;147.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49566;MM49566;CC(C)OC(=O)C(=N)NN;SFSOBJTYABSIKN-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49567;MM49567;C#CC(N)(CC)CO;WKNYBNAVPNDYRK-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49568;MM49568;CN=C(C)N(C=NO)OC;YAXKQFMRBMRJHO-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49569;MM49569;N#CCCC(N)=CC=NO;GBPXNKOBCWEANC-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49570;MM49570;C#CC=CCN(O)C(C)=N;AUJOSIPVADLWPN-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49571;MM49571;C=CC(N)(C=COC)CO;FBXSALCEHCQQPA-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49572;MM49572;C=C(C=CCC=O)CO;BNNUGHPBJUDWBZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49573;MM49573;C=CCC=CC(=O)CO;XBUSWMLRWSWQQS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49574;MM49574;CC(CN)ON=CCO;ZTGTXXAQMZXRER-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49575;MM49575;C#CC(O)CCC#CCN;UBXALTUBDHBMLL-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49576;MM49576;CN(O)C=NNC(=N)NN;PEEMHCQODCSKRW-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49577;MM49577;N#CCC=CC(=O)NO;UFQCWZJHIJINCK-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49578;MM49578;CCC(=O)C=CNC=O;RANHXAGNIHCQGH-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49579;MM49579;CNC(=O)C=CNC=O;KHXBVPTXWTVYSY-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49580;MM49580;COCC(=CN)C(C)=NO;YLUDJPHCOALGIH-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49581;MM49581;CNCC(CO)=C(C)F;CYTXEURXGIRBTE-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49582;MM49582;COC(=O)C=CNC=O;ZLMCRBAJZZJNCR-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49583;MM49583;CC(O)CC(CO)N(C)C;XLQGRVSKHCXQHE-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49584;MM49584;C=C(C=COC=O)CO;UPCADPKAKMNVIK-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49585;MM49585;C=NN=CC(=C)C(N)CO;ZOJPKLHELAPGNF-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49586;MM49586;CC(CO)C(C)C(F)CN;RTGUKEKRKNNQSH-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49587;MM49587;CNC(=O)C=COC=O;CLQNBNDCFXSDFP-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49588;MM49588;CNN=CC(=N)NC=NO;ACFPERUAVSYNJQ-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49589;MM49589;C=COC=CC(=O)NO;RXTJIYNEUVBOPZ-UHFFFAOYSA-N;129.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49590;MM49590;COC(=O)C=COC=O;NVUBGDVATXNESK-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49591;MM49591;C#CC(N)CC(C)CO;ATARPYFRYHDDOU-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49592;MM49592;CC(=NO)NCCF;WWCFQSGTMJWAOP-UHFFFAOYSA-N;120.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49593;MM49593;CCC(=O)C=NNC=O;OKNOLZJTYSBNCJ-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49594;MM49594;O=CNN=CC(=O)CF;WEPBRFRNEFDCKX-UHFFFAOYSA-N;132.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49595;MM49595;C=NNC(=NO)NC(=C)C;TYJRVXGKIHSOIA-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49596;MM49596;C=CC#CC(C)(N)CCO;SJXFLWJXHFDRNX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49597;MM49597;C=CNC(=NO)NN=CC;JSVPXSQCQMLZNE-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49598;MM49598;NNC(=O)C=NNC=O;KIYMFBLGWMUOIM-UHFFFAOYSA-N;130.11;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49599;MM49599;O=CNN=CC(=O)NO;ZKTCRKKSZVGNHJ-UHFFFAOYSA-N;131.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49600;MM49600;CC(=NO)NCC(C)(C)O;TZRBSXSPZRDTFZ-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49601;MM49601;C=C(C=NNC=O)OC;XOGVRNCBVIFAQT-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49602;MM49602;C=CCNC(=NO)NN=C;BWSQIQBCQQJTNR-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49603;MM49603;COC(=O)C=NNC=O;ULFQNCNCMZXDDW-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49604;MM49604;C=NNC(=N)NC=NC;GNLUNVVLDTUPLX-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49605;MM49605;COC(=O)C=NOC=O;YHDQUAARPPZKSV-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49606;MM49606;C=CN=CNC(=O)CC;BBIMDMUVKCKZFQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49607;MM49607;C=CN=CNC(=O)OC;ZTICPJKMVMTCQM-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49608;MM49608;C=C(F)CC(=O)C(N)=NC;DCUXLMRJRAJLQC-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49609;MM49609;C=CC(=O)C=CNCC;PWJLBIDEIWOCOR-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49610;MM49610;CCNC=CC(=O)C=O;DSLQRSROTZBPEQ-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49611;MM49611;CCNC=CC(=O)C#N;PUBULEBUYAQPRE-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49612;MM49612;CON(CC#N)C(=N)NO;RNKJKGYMZWSXCB-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49613;MM49613;C=C(C#N)C=CCC=O;JZTHCWKGTGUNGK-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49614;MM49614;C=CC(=O)C=CCC#N;ZNUJMARSGKYNMJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49615;MM49615;C=CCC=CC(=O)C#N;NWNVFPSVXQIKDZ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49616;MM49616;C=C(C#N)C=CNC=O;AJWRMOIDLQGGEX-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49617;MM49617;CCC=NN(C=N)C(=N)N;MJOCIAFYFRKOIW-UHFFFAOYSA-N;141.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49618;MM49618;C=COC=CC(=O)C#N;RRTAURKPOAVEPC-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49619;MM49619;O=COC=CC(=O)C=O;GEPCQGXXXAQMFT-UHFFFAOYSA-N;128.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49620;MM49620;C=C(CO)CCC#CCN;IQJGROANWVRCMG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49621;MM49621;NCC#CCCCO;AYPPXQULDNXARS-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49622;MM49622;C=C(C=O)C=NNC=O;UJIALPCBIPACPV-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49623;MM49623;CNN=CNC(=N)NOC;DFWJWNANAAOWAR-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49624;MM49624;C=CC(=O)C=NNC=O;ZVTCAMGGJWYUIQ-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49625;MM49625;CC(CC=O)NN=CN;SXSGRFPORJSJEO-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49626;MM49626;O=CNN=CC(=O)C=O;DEUPNGXSJBFWJX-UHFFFAOYSA-N;128.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49627;MM49627;N#CC(=O)C=NNC=O;PCIGVPOUOYYNAU-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49628;MM49628;O=CON=CC(=O)C=O;CPJZLJXVKYQHSZ-UHFFFAOYSA-N;129.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49629;MM49629;N#CC(=O)C=NOC=O;MCBRPDMKLWOFFP-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49630;MM49630;CN=C(COC)N=CNO;CJANJMQZXDTTLQ-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49631;MM49631;C=CNC(CC#N)=NC;OCSVILCBFHPTSC-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49632;MM49632;C=CN=CNC(=O)C#N;LWLQNGVZKVAUES-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49633;MM49633;CCCON=CNCC=O;CEAPBGSGIVJIJM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49634;MM49634;C#CC(=O)C=CCC#N;ZIVWYUSGKJDSEP-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49635;MM49635;C#CC(=C)C=CNC=O;AWAPMFWPTWNYGJ-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49636;MM49636;C=CNC(=N)C(F)C#N;STQGAXBOVPBFJW-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49637;MM49637;C=CC(CO)CC#CCN;QJQQUZWJYKOMKO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49638;MM49638;C#CC(=O)C=COC=O;LVSFFDSYRFAVFB-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49639;MM49639;C#CC(=N)NN=CC=O;KVYCAFGCLJNUNC-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49640;MM49640;C#CC(=C)C=NNC=O;YLICHEUGMCVHRL-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49641;MM49641;C#CC(=O)C=NNC=O;KREKKHZVBQMGQH-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49642;MM49642;C#CC(=O)C=NOC=O;LAOHWOVLDZORSO-UHFFFAOYSA-N;125.08;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49643;MM49643;CCN(C)C(C)=NNC=N;CPXMWGQKRFZFFH-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49644;MM49644;C=NN=C(NN)N(C)C=O;RAKWHHCXBDPORL-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49645;MM49645;CC(F)(C=O)CNN=CN;RBLAWPPBDVFLAO-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49646;MM49646;ON=CC=CC(O)CF;PDFKKDUBUIOILT-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49647;MM49647;C=NN=C(C=CNC)NC;HRHNXYYYASZYKQ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49648;MM49648;C=NOC(=NCCC)NN;XMQSUNPZZXFRDM-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49649;MM49649;CC=NN=CC(O)CO;ODFIOLWOIGDUTE-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49650;MM49650;CC(=O)CC(C)NN=CN;DRXSLAVOWQPKQS-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49651;MM49651;CCN(C)C=NC=NO;NTLRGKOVJCCYRL-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49652;MM49652;O=CC(O)C=CC=CF;PPVIAJBZFXSOPS-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49653;MM49653;CNCC(=COC)C(C)=O;BEJSBUDWMMGCTK-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49654;MM49654;CC=NN=CC(O)C#N;WOSSBUSNIZKZJH-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49655;MM49655;CN(C=O)C=CC=NO;MXOJTGXWYHSERA-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49656;MM49656;CON(C=N)C=NO;PQWFJYWGHYXHPZ-UHFFFAOYSA-N;117.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49657;MM49657;C=CN(C)C=NC=NO;CBIJHISTPOXYJI-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49658;MM49658;C=NN=COC(=NO)NN;UCTAXMZRFQMGJZ-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49659;MM49659;COC(C#CC(=N)N)=NN;BGCJMZHNWVWOIU-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49660;MM49660;C=CN(N)C=NC=NO;LLTUBDYEXZHJHC-UHFFFAOYSA-N;128.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49661;MM49661;CC(=NN)OC(=NO)NN;ISHWKIGRTMGKAQ-UHFFFAOYSA-N;147.14;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49662;MM49662;C=CN(O)C=NC=NO;DUBJIKQQCSDZNC-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49663;MM49663;N=CN(O)C=NC=NO;KNEVIICZASDCRR-UHFFFAOYSA-N;130.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49664;MM49664;CC(CN)ON=CCF;HTTMZELWQLPPJQ-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49665;MM49665;C=NN(C)C=NC=NO;YZYLTGFAWVDYHW-UHFFFAOYSA-N;128.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49666;MM49666;CNC=NC=NCCOC;GKRDBHOZZNYAAO-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49667;MM49667;CN(C)C=C(C#N)C(=N)N;BTNINRIBOZBBAB-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49668;MM49668;C#CC(=O)N(CC)C(=N)N;JHIBUSJCSRYHMI-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49669;MM49669;C#CC(O)C=CC=NO;PUQBVOODKYEUKX-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49670;MM49670;O=C(C=CC=CF)CO;BXJUVQYIQSLVJC-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49671;MM49671;N#CC=CC(=N)NCC#N;IIWMMPLUEOFFBC-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49672;MM49672;CN=C(C)NC(C=O)C=O;IETWTPNLKDOBRB-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49673;MM49673;COCC(N)=CC=NO;RQAUHYZULWMEKC-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49674;MM49674;CC=NN=CC(=O)NC;NLCVFSBKOBSVSH-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49675;MM49675;CCOCC(N)=CC=NO;XHJAMDRGHMZGDE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49676;MM49676;CC=NN=CC(=O)NO;IHIXURGUAJCZPD-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49677;MM49677;O=CC(=O)C=CC=NO;KLADDPYJWBNPML-UHFFFAOYSA-N;127.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49678;MM49678;N#CC(=O)C=CC=NO;FLDDARTZLUVIOQ-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49679;MM49679;C#CC(=O)C=CC=NO;SIXLESXWSXFGBF-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49680;MM49680;NC=CC=NOC(=O)NN;RGBFLAXAXDLKPS-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49681;MM49681;CC#CC=CN(O)C=O;KYWBSIBZVIILFK-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49682;MM49682;CN(C)C(=N)C(C)(O)C#N;SKXWXHAUIFMIHP-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49683;MM49683;CCNN=CC(C)=NO;JYOLJPGPIMBCEI-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49684;MM49684;CCON=CC(C)=NO;LPHWJSMJKBXJAY-UHFFFAOYSA-N;130.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49685;MM49685;CC(C=CCC=O)=CF;IYLHHDRJXWFQDG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49686;MM49686;C#CC(O)(CNC)C(=C)F;XPNZKSZMAAQMAZ-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49687;MM49687;CNCC#CC=NNC=O;IEGOVZFKYVYRSX-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49688;MM49688;CNC(=O)C(C=CN)=NO;PCAHJLATDFSKJP-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49689;MM49689;CNN=C(CC=O)N(C)O;UVDSRDFOVAOXRH-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49690;MM49690;CC(C=NOC=O)=NO;CICAWJSWKSLMKB-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49691;MM49691;C=CCN(O)C=NN;JSKRQJXCDMBOGM-UHFFFAOYSA-N;115.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49692;MM49692;CC(C=CC=NO)=NO;BVPXTECXWSKBLN-UHFFFAOYSA-N;128.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49693;MM49693;C#CC(O)C(F)=CCNC;FYECYOOVPNZMCK-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49694;MM49694;CNC(=NO)NC(=N)NO;QIHPLRLZBDVJEB-UHFFFAOYSA-N;147.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49695;MM49695;CC(C#CCCO)CO;BCLFXKPLNOLRDY-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49696;MM49696;CCC(O)C#CCCO;MBKLCTJYEBBIHP-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49697;MM49697;CCCC#CC(O)CO;SEGMQBDXMGEPFT-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49698;MM49698;OC(C#CCCF)CF;QVGUVJUDUBFDEJ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49699;MM49699;CN=C(C(F)C#N)N(C)C;FAYJRPBDYLODHQ-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49700;MM49700;COC(C)C#CCCO;MEZWMDDJFPQZGJ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49701;MM49701;C=CCC#CC(O)CO;NAEZJLIOQRDVIH-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49702;MM49702;O=CCC#CC(O)CF;CEGTZHZSDPSMJN-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49703;MM49703;C#CC(=N)N=CN(C)O;LIQURXULFWLGBD-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49704;MM49704;CC=CC(=NO)C(=N)NC;ATZYEKNNJIUEQC-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49705;MM49705;CNCC#CCC(=O)C=O;RZUBSMPXVWABTG-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49706;MM49706;CN=C(C#N)NN=CNO;XHKQKIHOPVRVQS-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49707;MM49707;C#CCC#CC(O)CO;DARNYJZHUHSEIS-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49708;MM49708;CC(C#CCCO)C=O;WHOZQIIELQQOMZ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49709;MM49709;C=CC(O)C#CCCO;ULVXPZCXYATJLI-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49710;MM49710;N#CC(O)C#CCCF;AHZZUKIGUUPDQL-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49711;MM49711;O=CC(F)C#CCCO;RRDRDYNITJZLRO-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49712;MM49712;N#CC(F)C#CCCO;YDZOZXRXCCGJJD-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49713;MM49713;N#CC(F)C#CCCF;RFYDTHYQOJBDEF-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49714;MM49714;C=COC(C=CNO)=NC;KPKBULKDAGPUFU-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02653;MM02653;COCC#CC(F)C=O;ZNQVSVQUMZMICN-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15280;MM15280;C=CCC#CC(C)C#N;OKVOBKJWPYIBDU-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02008;MM02008;CC(C#N)C#CCC#N;RXSDKZRDGZFRPI-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49715;MM49715;C=CC(O)C#CCC#N;JBPVSECDHROCCA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49716;MM49716;C=CCC#CC(O)C#N;QFGGBAYHOBHBRG-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49717;MM49717;N#CC(O)C#CCC=O;ANNHDKAJFJRQNS-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49718;MM49718;N#CCC#CC(O)C=O;LBGKKKAIRMCJCP-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49719;MM49719;N#CCC#CC(O)C#N;DPBOTPDMMOPWGE-UHFFFAOYSA-N;120.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15613;MM15613;N#CCC#CC(F)C=O;DIQSBTJWVYENSI-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49720;MM49720;C#CCC#CC(O)C=O;PCICBESTJVEVFO-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49721;MM49721;C#CCC#CC(O)C#N;UEWHMHKOJIGIDO-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49722;MM49722;CN(CC=O)CC=O;IQQVYFMQOWHLBG-UHFFFAOYSA-N;115.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49723;MM49723;CON=CC(=NN)NN;MESJUMVJSBPLKU-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49724;MM49724;C=NN=CC(=NN)NN;CWHOLHFORFRDOZ-UHFFFAOYSA-N;128.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49725;MM49725;C#CC(O)C#CCOC;CIGRJBXBFLVQAQ-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49726;MM49726;C#CC(O)C#CCC=O;FXPVOZRZJUBRSD-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49727;MM49727;C#CC(O)C#CCC#N;UCFOLZXNNKSBHX-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49728;MM49728;NNC(=NO)OC=O;PWCCRXYPWBPTAF-UHFFFAOYSA-N;119.08;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49729;MM49729;CC(=NNC(N)=O)N(C)C;JFGKGQMIQSQIRI-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49730;MM49730;CCCC#CC(=O)CO;VUSHUURQSCPEFK-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49731;MM49731;O=C(C#CCCF)CO;IGBANGALZCCIMV-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49732;MM49732;O=C(C#CCCO)CF;ZYYIVXYBQLIEHU-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49733;MM49733;C#CCN=CN(N)C=NO;JWJXKZOJNRRLOP-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49734;MM49734;C=C(C#CCOC)CO;DYXRQVLGPNIMBG-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49735;MM49735;COCC#CC(=O)CF;UQHNJSFDPBOHAN-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49736;MM49736;CC(=NO)C(=NN)NN;LPFAPYFOJJELRW-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49737;MM49737;CNCC#CC(F)C=O;QPFFLHHLYIENIX-UHFFFAOYSA-N;129.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49738;MM49738;C=CN(O)C=N;RMQMTFJTMZBRSB-UHFFFAOYSA-N;86.09;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49739;MM49739;NNC(=O)C#CCCF;RNBOCMJXWZDVQS-UHFFFAOYSA-N;130.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49740;MM49740;O=C(C#CCCF)NO;OORLZSPAUUOVNC-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49741;MM49741;C#CC=CC(=O)NC(C)=N;KMSSTOUMOLFLRC-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49742;MM49742;CNC(=O)C#CCOC;CZWMUEHJSJIMLV-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49743;MM49743;COCC#CC(=O)NN;YEBRHJSCFHOJCB-UHFFFAOYSA-N;128.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49744;MM49744;COC(=O)C#CCCO;OEMQAHPDJWFYEB-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49745;MM49745;COCC#CC(=O)OC;MBSMFRUOTCHURI-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49746;MM49746;C=C(C#CCC=O)CO;BRARVBJMYXRTPS-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49747;MM49747;C=C(C#CCC#N)CO;AIPNPICUIWFLTM-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49748;MM49748;C=CCC#CC(=O)CO;GRJKTPQTQYBBIC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49749;MM49749;O=CCC#CC(=O)CO;GGSFHNXLFNLVLB-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49750;MM49750;N#CCC#CC(=O)CO;LXIASCZAXPLMPN-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49751;MM49751;CC(=NO)N(C)C=CCO;STYFUSGGOWHZNC-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49752;MM49752;C=CNC(=NO)NN=C;SWUJCGLHVWWEFG-UHFFFAOYSA-N;128.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49753;MM49753;C#CC(F)C(=O)C(=N)N;ZEZKSGJUHYFRJQ-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49754;MM49754;C=CCC#CC(=O)NC;FPZFRQRTBNTEFO-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49755;MM49755;CNC(=O)C#CCC=O;UIAMTRYNKPWKNV-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49756;MM49756;CNC(=O)C#CCC#N;IKQXWGNDRNGPLM-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49757;MM49757;C=CCC#CC(=O)NN;QDMKRCHJKFJJBL-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49758;MM49758;C=CCC#CC(=O)NO;SAQWOAYELIXAGZ-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49759;MM49759;O=CCC#CC(=O)NO;DMRMAJJZLUTQEV-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49760;MM49760;N#CCC#CC(=O)NO;JHABMPMOBRXNRI-UHFFFAOYSA-N;124.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49761;MM49761;COC(=O)C#CCC=O;QJDWHWIWBMBARJ-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49762;MM49762;C#CCC#CC(=O)CO;PVSZZIGWBUMARC-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49763;MM49763;C=C(CNC)OC(C)CO;UVPBUSRROJHTBC-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49764;MM49764;C#CCC#CC(=O)OC;KFSUHTRIYQFTLM-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49765;MM49765;C=C(C#CCCO)C=O;RIAQGWFYUDHHAG-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49766;MM49766;C=CC(=O)C#CCCO;XVCHAZVALSWURF-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49767;MM49767;O=CC(=O)C#CCCO;OCNSCQMNKMEPSX-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49768;MM49768;N#CC(=O)C#CCCO;ZHKJLSOWLDKSSU-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49769;MM49769;C=CC(=O)C#CCOC;HGVAENJUVQTNRF-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49770;MM49770;COCC#CC(=O)C=O;UWAQIQWHXKITHH-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49771;MM49771;COCC#CC(=O)C#N;RZQZBBDZZKYUKR-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49772;MM49772;C=C(C#N)C#CCC=O;UMDFPBDDRLGEAM-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02458;MM02458;C=CC(=O)C#CCC#N;ORIVDKJDXJRBGD-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15574;MM15574;N#CCC#CC(=O)C=O;QGCFUOPHDYPPFC-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16046;MM16046;N#CCC#CC(=O)C#N;SOAFKRBDRKUECG-UHFFFAOYSA-N;118.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49773;MM49773;CN(C)C=NOC(N)=O;ZXAISFFDOUCAGV-UHFFFAOYSA-N;131.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49774;MM49774;C#CC(=O)C#CCOC;ROVBZMYOSANUAG-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49775;MM49775;C#CC(=O)C#CCC=O;MCBPGSHQXMETOX-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15608;MM15608;C#CC(=O)C#CCC#N;XTKWBZRINXUTNZ-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49776;MM49776;C#CCC#CC(=O)C#C;HNCCVZAFBYXYGY-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49777;MM49777;CC=CC#CC(O)CO;VLWDYKROJJWVSF-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49778;MM49778;CNCC(=CF)C(C)O;OUDFGKMIHLMWGP-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49779;MM49779;CC(C#CC=NO)CO;WRUPMBUBIUDKPF-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49780;MM49780;CCC(O)C#CC=NO;OZPLHIOLZNVDAR-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49781;MM49781;OCC(O)C#CC=NO;WUYBFYWPAVTUKR-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49782;MM49782;CN(NCC#N)C(=N)NO;VAQWQINJQXRIMJ-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49783;MM49783;OCC(F)C#CC=NO;XGPOKBNITSQJID-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49784;MM49784;COC(C)C#CC=NO;JBCOYYSBLMNEFB-UHFFFAOYSA-N;127.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01948;MM01948;CC=CC#CC(O)C#N;GKPUZQGTQYPQOS-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49785;MM49785;N#CC(O)C#CC=CF;AMPHITXYHPVLBK-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49786;MM49786;CC(C#CC=NO)C=O;LEOVNYNRWQHIJP-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49787;MM49787;CC(C#N)C#CC=NO;FKMFWUBLIPQHOH-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49788;MM49788;CC(N)=CC(=N)N(C)O;TUGIPDZREBWOTG-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49789;MM49789;CON=C(NN)OC(N)=O;RXDKUWODPOZDNY-UHFFFAOYSA-N;148.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49790;MM49790;O=CC(O)C#CC=NO;HFZWPDBYXSQKCK-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49791;MM49791;O=CC(F)C#CC=NO;MECSVRQLGGHKJE-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49792;MM49792;N#CC(F)C#CC=NO;OBLUYXVCQBJGDM-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49793;MM49793;C#CC(C#N)C(=N)N(C)O;RCPNCMNWDKYIRF-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49794;MM49794;C#CC(O)C#CC=NN;PHKAHHVTZLMXDI-UHFFFAOYSA-N;122.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49795;MM49795;O=C(C#CC=CF)CO;BPANYBLHYPOEIW-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49796;MM49796;CC(=NN=C(C)NO)NN;TWGMISZVPVJCND-UHFFFAOYSA-N;145.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49797;MM49797;N#CCNCC(CO)CO;ZGSDYSXIPLTEDN-UHFFFAOYSA-N;144.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49798;MM49798;C=C(C#CC=NO)CO;NJCAYHVIMUZHDN-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49799;MM49799;O=C(C#CC=NO)CO;OERMUQTYRHKSKU-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49800;MM49800;O=C(C#CC=NO)CF;SOBNVLPOYUBEAP-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49801;MM49801;C#CCNCC(C)(C)O;VDYOSVMGBBZUAC-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49802;MM49802;CC=CC#CC(=O)NC;PXQOHCBDJOGFKC-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49803;MM49803;CNC(=O)C#CC=CF;HVHUXTORDIXEJN-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49804;MM49804;NNC(=O)C#CC=CF;GRNNUVYVLGCELF-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49805;MM49805;CC=CC#CC(=O)NO;ABSBWUXSWSMMTR-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49806;MM49806;CC(=NN=CN(C)O)NN;UOVMQVNVAXRREP-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49807;MM49807;CC(C)ON=CNCC=O;DZPJMFYLFQEBHR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49808;MM49808;COC(=O)C#CC=NO;JWYNRNDWNHOAFQ-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49809;MM49809;C=C(C#CC=NO)C=O;YPORGETTZXKTMG-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49810;MM49810;C=C(C#N)C#CC=NO;PQISEAJPENUDJP-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49811;MM49811;C=CC(=O)C#CC=NO;XBVOYBCIPUWWHO-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49812;MM49812;O=CC(=O)C#CC=NO;YZSRAGUQBNYAGM-UHFFFAOYSA-N;125.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49813;MM49813;C#CC(=O)C#CC=NO;OBQQHTKAVLQVTQ-UHFFFAOYSA-N;121.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49814;MM49814;CC#CC#CC(O)CO;YOEVKCNKLFXUDB-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49815;MM49815;CC#CC#CC(O)CF;KLZZNKDEEMFMPO-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49816;MM49816;CC#CC#CC(=O)CO;LCEWZXYRJVWCMD-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49817;MM49817;CC(=NCCO)NCC#N;YTKIOCGSAIBCLP-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49818;MM49818;C#CC(=CF)N(N)C=NN;AZRVMRWZMPATEJ-UHFFFAOYSA-N;142.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49819;MM49819;CC(C#CCCO)=NO;PLNKPIWLLZVRLY-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49820;MM49820;CNN=CC=NOCOC;BAUJROYIWXSHSV-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49821;MM49821;COCC#CC(C)=NO;NIJWEQQPQSIXAJ-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49822;MM49822;CC(C#CCC=O)=NO;AGCFDDUCJURCMT-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49823;MM49823;CC(C#CCC#N)=NO;VHVPJOKRTDIXFS-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49824;MM49824;CC(C#CC=NO)=NN;NAZSZYWGZHTZJD-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49825;MM49825;CC(C#CC=NN)=NO;FMZBZZVPGQGONT-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49826;MM49826;CON=C(NN)OC=O;PQUDIUDZZJMMBG-UHFFFAOYSA-N;133.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49827;MM49827;C=COCC(N)=CC=NO;ZBASAFFSFGBEAY-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49828;MM49828;CN(C)N=C(C=NO)NN;NNNWDVLJAFBQQL-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49829;MM49829;C=C(CC=O)NC(C)=NO;PJNUKGFMELZUCN-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49830;MM49830;CC(CO)CC(F)CN;XKZKEAUIGSFKCO-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49831;MM49831;CNC(=O)ON=CN(C)C;XKADJSWVZBMAPK-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49832;MM49832;CC(O)CC(C)(F)C(C)N;AHGHQLNNRSWAIB-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49833;MM49833;CN=CN(N)CC=CCO;SPABXGJBHZBFMM-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49834;MM49834;C#CC(N)CCC(C)O;RAGAHFJAGZLGIQ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49835;MM49835;C#CC(=NN)NO;VKXOUEMXCZPNOS-UHFFFAOYSA-N;99.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49836;MM49836;CC(=CCCC=O)CF;QTKHIFUBJVRVGX-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49837;MM49837;N#CCCC=C(F)CO;AKMFXXIXSDXEGK-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49838;MM49838;COC=CC(=NN)N(C)O;YBAYUOUGNMMJPF-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49839;MM49839;CN=CNC(CCO)=NC;HEZBXXGGASNNEI-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49840;MM49840;CC(=CCOC=O)CO;WGSPMNPDLBQBSC-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49841;MM49841;CC(N)C(C)(F)CCO;PWBRYONEUVKQQZ-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49842;MM49842;N#CCOC=C(F)CO;SOEZZWXYUKLKDO-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49843;MM49843;COC(C)=COCC=O;NGXCYDPZYRPBRV-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49844;MM49844;COC(C)=COCC#N;FKOBGIDWCZKKQB-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49845;MM49845;CC(C)(F)C(N)CCO;UFRFBNGQJGPEGT-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49846;MM49846;CC(F)C(N)CCCO;YSQUGHBOVHLSNE-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49847;MM49847;C=CNC(C)=NN=CCO;OWOKDFDHZPJJAN-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49848;MM49848;C#CCOC=NNC(=N)N;DXSCDVILBCTCEI-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49849;MM49849;C#CCC(=NN(C)C)NO;VYPTYEHMZZQQJH-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49850;MM49850;CC(CNCC#N)NC=O;ZQZAKOKTGOQBEA-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49851;MM49851;C=NNC(=NN)N(C)C=O;RAKWHHCXBDPORL-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49852;MM49852;CC(=NO)NOCC#N;ZNHRJDCHIXOJEK-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49853;MM49853;C#CCOC=C(C)CO;KGVDAQNKDDXMNV-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49854;MM49854;C#CC=NNC(=N)C#C;XCUJDVDBKKCJJN-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49855;MM49855;C=CC(F)(C#N)C(=N)N;RAPMZUNNSBGCKO-UHFFFAOYSA-N;127.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49856;MM49856;C=C(N=C(N)CC=O)OC;UNNRTXLWQVCSBL-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49857;MM49857;C#CCONC(C)=NO;KLWPOFZCXGSFQM-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49858;MM49858;CC(O)CCCC(F)CN;AMGYGQLJCOQZPH-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49859;MM49859;CC(C=O)=CNCCF;BAMIHDQKPPJVHJ-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49860;MM49860;CC(C#N)=COCCO;YWJKAOIJHXXPBR-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49861;MM49861;N#CC(F)=COCCO;YJPSIPJETXLCDH-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49862;MM49862;COCOC=C(C)C=O;GUDFYOKVMILKDI-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49863;MM49863;COCOC=C(C)C#N;YOGCMFZDXFYBGP-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49864;MM49864;COCOC=C(F)C#N;ZTQGHVFLJBRYPP-UHFFFAOYSA-N;131.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49865;MM49865;CNC(C=O)CNN=CN;XHJJWIUTSPEDOA-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49866;MM49866;CC(C#N)=CCCC#N;ZTEXWMBBVVWESQ-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49867;MM49867;CC(C=O)=CCNC=O;WGNDTUMROFZMBZ-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49868;MM49868;CC(C=O)=CCOC=O;CBASCLPXJLLFPR-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49869;MM49869;C=CCNC=C(C)C=O;XKMALUKNOQPVHN-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49870;MM49870;O=CCNC=C(F)C=O;XHOVFLRKTIHFNI-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49871;MM49871;N#CCNC=C(F)C=O;NQPQZPMWUJMODZ-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49872;MM49872;N#CCNC=C(F)C#N;MLLSJTCIPYHAOZ-UHFFFAOYSA-N;125.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49873;MM49873;C=NOC(=NO)NC=N;YTYBYDWCHJAGNB-UHFFFAOYSA-N;130.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49874;MM49874;CC(C=O)=COCC#N;QRFFSPIGRNBCEQ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49875;MM49875;CC(C#N)=COCC#N;HJBYHBNZIVPDRJ-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49876;MM49876;O=CCOC=C(F)C=O;IPNBKPXAEJOIGS-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49877;MM49877;N#CCOC=C(F)C=O;CZNWEXJNBJNAGX-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49878;MM49878;N#CCOC=C(F)C#N;PKRVBFUKJCDWHQ-UHFFFAOYSA-N;126.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49879;MM49879;CC=NOC(=NO)NC=N;XADITBSQIZPPFK-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49880;MM49880;C=CNC(=NNC=O)NC;CRGFMVRTXASKML-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49881;MM49881;ON=CC=CNCCF;PXBKCAJPSTYBMB-UHFFFAOYSA-N;132.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49882;MM49882;CN(N)C(=NO)C(N)=O;LBBGMDKNTQSSGE-UHFFFAOYSA-N;132.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49883;MM49883;CNC(N)=CC(=NN)NC;KIWWXWJACFCMDV-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49884;MM49884;CNCCC(C#N)=NNC;YKEIBWHNKAINJU-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49885;MM49885;N#CC(CO)N=CNO;DRLXJKINRHNEGH-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49886;MM49886;C=C(C)C(C#N)N=CNO;QQCZBELCVZCSOC-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49887;MM49887;C#CC(C)=COCCO;ZGKKJPJNRDWXCV-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49888;MM49888;C#CC(F)=COCCO;INZCIRWROPSKGB-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49889;MM49889;CNC(=NOC=O)NO;RQLMJPMIUCJQTP-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49890;MM49890;CNCC(C)NN=COC;LGCJYLVBUUYEOM-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49891;MM49891;C#CC(F)=COCC#N;MFPVLFADCLLITL-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49892;MM49892;CN=C(NN)ONC(=N)N;HHLRWBWWXRQMMI-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49893;MM49893;CC(C#N)(CC#N)NC=N;RCFSRPOPLJPRST-UHFFFAOYSA-N;136.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49894;MM49894;C=COCC(=NN)C(=N)N;GPCYJKMWXRQCIQ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49895;MM49895;CC(=CCC=NO)CF;MUZRIYICWGWZSI-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49896;MM49896;CCCN(O)C=NC(C)=N;PXCZXDMYGAULCE-UHFFFAOYSA-N;143.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49897;MM49897;CON=C(C(N)=O)N(C)N;MTBXIDIQZQRKFI-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49898;MM49898;C=NN=C(NN)C(C)CO;AKRVKWRLUOVVCK-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02000;MM02000;COC(C)=COC=NO;XABBIAWAQKNMBL-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49899;MM49899;C=C(N=CNO)C(=O)OC;JWNMYNQRAXDHRI-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49900;MM49900;CC(C)(C#N)C(=N)NC=N;ZKUIUACEMGFZTF-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49901;MM49901;CON(C)C(=N)C=CN;NUTZAGVIEZGIAM-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49902;MM49902;C=NN=C(CC(C)O)NN;JTLKUGWUXBONKE-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49903;MM49903;C=C(C)N=C(NN)C(N)=O;CVHHQZFELXMJAP-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49904;MM49904;CC(CO)=NOC=NO;CWAKLCOZWJMMSB-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49905;MM49905;CNNC(=N)C(=N)NC=N;GNAQQXNTNVQRND-UHFFFAOYSA-N;142.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49906;MM49906;CC(CF)=NOC=NO;LINMNSPVXCYLEL-UHFFFAOYSA-N;134.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49907;MM49907;CC(=NO)NOC=NN;ODTTWPOJOVFOCV-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49908;MM49908;CC(=NO)NOC=NO;VJQLMCYJAMNHFG-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49909;MM49909;COC(C)=NOC=NO;IDDAPEHUWZEMGN-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49910;MM49910;CC=NN=C(CCO)NN;WHAOGFZNTLEDNH-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49911;MM49911;CC(C=O)=COC=NO;NNOOHFBRSNBRIS-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49912;MM49912;CC(C#N)=COC=NO;MCEQSHLEZGIKDF-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49913;MM49913;N#CC(F)=COC=NO;RXFNSWLPKAWMSL-UHFFFAOYSA-N;130.08;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49914;MM49914;C#CCC(C=NOC)=NN;ZVSJRJNKKLTSHK-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49915;MM49915;CC=C(OC=NO)C(C)N;PUAFANGMEZWXDU-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49916;MM49916;C=NNC(=N)C#CC;LBGQXNSBEWGQDF-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49917;MM49917;C=CC(N)C(=C)C=NO;QMKKYOXZPGHWJB-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49918;MM49918;C#CC(F)=COC=NO;KBKLZMVGERHMEZ-UHFFFAOYSA-N;129.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49919;MM49919;CNCC#CC(F)(F)CO;CVRVTSVXOXVONN-UHFFFAOYSA-N;149.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49920;MM49920;CC(N)C#CC=C(F)CO;KVWJJCBMQXIGJJ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49921;MM49921;C#CC(C)=NOC=NO;MHBXDCUCGHCIQW-UHFFFAOYSA-N;126.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49922;MM49922;CC=CC(N)C=C(F)CO;GJVPWDFAUVLFAX-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49923;MM49923;CC(C)NCC#CCO;BCFKNJWMBHYQHM-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49924;MM49924;C=C(C#N)NC(=N)C=NO;VDYFIZDCRGDQGK-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49925;MM49925;CON=C(NN)NC(N)=O;NJLVPRPATZOKRE-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49926;MM49926;CC(CO)=NN=CCO;SHDOBRIHKRQYEH-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49927;MM49927;COC=NN=C(C)CO;RZVUXXKPMAWKGP-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49928;MM49928;COC(C)=NN=CCO;JIBADFBXBYGYLQ-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49929;MM49929;COC=NN=C(C)OC;AHYZIDIISZAWHU-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49930;MM49930;CC(=CC=CC#N)CF;QRRLWAIVBVLIME-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49931;MM49931;CC(CO)=NN=CC=O;ZGADVBXAJPJHMM-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01874;MM01874;COC(C)=NN=CC#N;RDMWBDNCRTUGON-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49932;MM49932;C#CC=NN=C(C)CO;JETKMWPTAQNBTM-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49933;MM49933;C#CC=NN=C(C)OC;PFVJBHZBEGMNIZ-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49934;MM49934;COCC(C#N)N=CNO;RASDFXGPICOISY-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49935;MM49935;C=CC(F)=CNC(=N)CO;YVYVLQIFCJKXLT-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49936;MM49936;CC(C=O)=NN=CCO;JOPPJJROFIYHDN-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49937;MM49937;CC(C#N)=NN=CCO;TXACMLINECPBDG-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49938;MM49938;CN(C=N)C(C#N)CO;SBSLOBPUVJMQKJ-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49939;MM49939;CC(C)N(O)C=NCC#N;VCVISBLGVSILOH-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15329;MM15329;C#CC(C)=NN=CC#N;JDZRKLLSTQTGNY-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49940;MM49940;C#CC=NN=C(C)C#C;DPYIODMGHOMTKU-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49941;MM49941;CC(C)(O)C(=CF)NC=N;PEPNZPMHACUEQM-UHFFFAOYSA-N;146.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49942;MM49942;C=NNC(=NO)NC=CC;KVQTVSZJJMWPEK-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49943;MM49943;CC(=CC#CCO)CO;AWXGBKVOKPOSDT-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49944;MM49944;C=CNC(=NC=NC)NO;MONUMRBSFOIVRB-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49945;MM49945;OCC#CC=C(F)CO;JBQWPSBUSXNLLB-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49946;MM49946;CCC(C)=CC#CC#N;VHWCKESBOSXCDW-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49947;MM49947;CC(=CC#CC=O)CO;IBQIJDDQHWDVEF-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49948;MM49948;CC(=CC#CC#N)CO;PSPGMHIVHBJYOE-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49949;MM49949;CC(=CC#CC#N)CF;YJSHILULKXFEPI-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49950;MM49950;CC(C#N)=CC#CCO;CAVZAFHSNNZPKO-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49951;MM49951;C=CC(C)=CC#CC#N;DDIXYFAFZNPIFX-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49952;MM49952;CC(C=O)=CC#CC=O;UBGNICGGZYJPAG-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49953;MM49953;CC(C#N)=CC#CC#N;UBSQANCFTRJELN-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49954;MM49954;N#CC#CC=C(F)C#N;LXSXKJUVLQTVSM-UHFFFAOYSA-N;120.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49955;MM49955;CC(CCF)C(O)CO;GSJMLYIAQOHMBE-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49956;MM49956;CC(CCO)C(F)CO;ZTGUEJMOJNYLIF-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49957;MM49957;CC=CCN(O)C(C)=N;QDEPSZZLBQYYNQ-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49958;MM49958;CN=C(CO)NN=CC=O;WEBOZBZNHDCPQC-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49959;MM49959;C#CC(=N)N=CN(O)C=C;RCFJMSMAQVPBAI-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49960;MM49960;CCC(F)C(O)CCO;SSWWDZHRKGJIFK-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49961;MM49961;C=NN(C(=N)NO)C(C)=O;PNSWYXJVCZLTBY-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49962;MM49962;CCC(O)C(F)CCO;SNIZCVHJPYQYTJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49963;MM49963;CC(=N)N(O)CC=C(C)C;CXLRHAQVDDNTOG-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49964;MM49964;C#CC(C)NC(C)(C)CO;TWRVEXWUYCJZFD-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49965;MM49965;COC(C)C(F)CCO;BYULOTKWOAQORX-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49966;MM49966;C#CC(C)N=C(NN)NO;NVERCNYYQYYABQ-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49967;MM49967;CC(=O)CN(C)C(=N)NO;RPAXYWBFYBYJBO-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49968;MM49968;CC(CF)C(O)CC=O;FTXBWBDTQHANKT-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49969;MM49969;CCCC(C)(N)C(=N)NO;VVCGHBBZGCTPKB-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49970;MM49970;C=CCC(O)C(O)CF;WUDJDVUSHWASNW-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49971;MM49971;CC(CO)C(F)CC=O;ZZTCHAYHFRRUNS-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49972;MM49972;C=CCC(F)C(O)CO;YKWRHUCOBHHZJR-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49973;MM49973;C=CN=C(C=C)NO;YYWYCURLGRCCCV-UHFFFAOYSA-N;112.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49974;MM49974;C#CCCN(C)CCO;VDXCQWFSLPERMO-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49975;MM49975;COC(C)C(O)CC#N;XLDKLYOTXMHALT-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49976;MM49976;N#CCNCCOCCO;UWEFOCXFVKJQEE-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49977;MM49977;CC(O)CC(C)C(N)CF;WGANRJVAMXEWCO-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49978;MM49978;CCC(O)C(C)OC=O;DXTQSZQTZKJMLW-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49979;MM49979;C#CCC(C)C(O)CO;KLCLVYDDWKVBAB-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49980;MM49980;CC#CC(=N)N=CN(C)O;FWJFSGYPMZUZIJ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49981;MM49981;CN(O)C=NC(C)(C)C#N;YAKNSCIVVJKJRN-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49982;MM49982;C#CCC(O)C(C)CO;DBXMECNNGXVTLC-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49983;MM49983;C#CC(N=CNO)=NN;GKKLVHASGQCLGA-UHFFFAOYSA-N;126.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49984;MM49984;CN(C)C=NN=CCCO;LQWYIOWNRAHRIB-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49985;MM49985;CNN=CC(N)=C(F)C#N;VOOJHADBWVAXJZ-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49986;MM49986;NN=CN=CN(N)C=NO;DTAVZSKXFOPNQP-UHFFFAOYSA-N;144.14;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49987;MM49987;CC(C=O)C(O)CCF;BJMIETIBZAJHDH-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49988;MM49988;CC(C#N)C(O)CCF;IXZWUSXKXGSHHW-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49989;MM49989;C=CC(O)C(O)CCC;XMEQZQQHLWGOFY-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49990;MM49990;C=CC(O)C(O)CCF;SIGADNMBHKYUPH-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49991;MM49991;CCCC(O)C(O)C=O;JEGKYWBIXBMFNP-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49992;MM49992;CCCC(O)C(O)C#N;NNPRJFPZOJODIG-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49993;MM49993;C=CC(F)C(O)CCO;YSIXASCDFGMDGV-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49994;MM49994;CC(C=O)C(F)CCO;UBNHXCGQFGYEAO-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49995;MM49995;CC(C#N)C(F)CCO;XKTWGUDPXFKDEZ-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49996;MM49996;C=CC(O)C(F)CCO;DMIIDIIHDWDVCB-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49997;MM49997;CC#CC(C)NCCCO;SAALDPMNOOMXDE-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49998;MM49998;CC=NN=C(NN)NC=O;TXTYDCHOQIRLLH-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM49999;MM49999;CC=NNC(=N)NC=NC;OCAWGWAENCMMQI-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50000;MM50000;CCC#CC(=N)NCC=O;CSGABDWXNHGTIV-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50001;MM50001;C#CCC(=NC)NCC=O;QONAYCHOEBGUHV-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50002;MM50002;COCC(C)C(O)C#N;YXAFEPMRUFXYTH-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50003;MM50003;COCC(O)C(C)C#N;QASFQXFLDOOTDO-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50004;MM50004;COCC(O)C(O)C#N;FULUIZPQCLFDNX-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50005;MM50005;C=CC(F)C(O)COC;IURVUHUAMRUDNC-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50006;MM50006;COCC(O)C(F)C=O;CVHUCAKRKCVOLU-UHFFFAOYSA-N;136.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50007;MM50007;COCC(O)C(F)C#N;PVULXJZQBKXJFU-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50008;MM50008;C=NNC(=NNC)NC=O;YLUBQYQRMOBZQR-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50009;MM50009;CCOC(C)C(O)C=O;AJMNLOHDYKCYSN-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50010;MM50010;CCOC(C)C(O)C#N;OZJSXYYPUHWQGY-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50011;MM50011;CC#CC=NNC(=N)NN;FDNFDUSXGYQYQF-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50012;MM50012;CC(CCF)N(O)C=O;YVKAPGJIPNHXPE-UHFFFAOYSA-N;135.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50013;MM50013;CC(CC#N)C(O)C#N;FKOLAMIOOGZRJJ-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50014;MM50014;C=CC(C)C(O)CC=O;PSLBWYVDXNZKRR-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50015;MM50015;C=CCC(O)C(C)C=O;VRMFXJMSSGHVBD-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50016;MM50016;CC(C=O)C(O)CC=O;DWGMNPVMKXOZDP-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50017;MM50017;CC(C#N)C(O)CC=O;IETPJHGBXVGBOT-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50018;MM50018;CC(C=O)C(O)CC#N;FUAWCTUAEAJFCW-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50019;MM50019;CC(C#N)C(O)CC#N;JEBYXSWYKXOFLX-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50020;MM50020;CC#CC(C#N)ONC=N;LGGBFVCZFTUCOR-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50021;MM50021;C=CCC(O)C(O)C#N;YWUWPQXLTHQRDO-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50022;MM50022;N#CCC(O)C(O)C#N;AMBQPYAVZZIQBJ-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50023;MM50023;N#CCC(O)C(F)C=O;DHJGKUBWRFBXAC-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50024;MM50024;N#CCC(O)C(F)C#N;JGOCQARXSIEKAB-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50025;MM50025;C=CCC(F)C(O)C=O;BRRNNMZZGPVUKS-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50026;MM50026;N#CCC(F)C(O)C#N;RHEDYGJRULWORW-UHFFFAOYSA-N;128.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15629;MM15629;N#CCC(F)C(F)C=O;QRFOWNDFSNKAOI-UHFFFAOYSA-N;133.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50027;MM50027;CNC(=NO)NOC=O;RQLMJPMIUCJQTP-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50028;MM50028;CCN(C=NC)N=CC#N;IJVBCIIOSCUQFX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50029;MM50029;C=CCNCCC(=O)C=O;BCJXOCLODIMQED-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50030;MM50030;CC(C=O)CNN=CN;JUCYRFKZISGLQD-UHFFFAOYSA-N;129.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50031;MM50031;C=CC(O)C(C)OC=O;HZAPAFCZPAAQJL-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50032;MM50032;C=COC(C)C(O)C=O;IWAVHUFNITZQIZ-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50033;MM50033;C=COC(C)C(O)C#N;WRFKFOOSMQZESA-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50034;MM50034;CC(CC=O)CNN=CN;UQPMMKOIZUMQCR-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50035;MM50035;CC(CC#N)N(O)C=O;NSJBFJBOJXOALL-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50036;MM50036;C=NN(C=N)C(=N)N;NYYIUEZNYHKMOO-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50037;MM50037;CCN(C)C=NC(=O)NC;QEBUAEOJQSWHDV-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50038;MM50038;CC(=O)CCNN=CN;FMCOCBSFCZKFKC-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50039;MM50039;C#CCC(C)C(O)C=O;WISBKFYGBACNGV-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50040;MM50040;C#CCC(O)C(C)C=O;CZMQWRGAPZRLQD-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50041;MM50041;C#CCC(O)C(C)C#N;JVYFLPJGTGREHX-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50042;MM50042;CCN(O)C(=N)C=NOC;VDXBEKCCUGKGCT-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50043;MM50043;C#CCC(O)C(F)C=O;JGYKAUVMTWFMKX-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50044;MM50044;C#CCC(O)C(F)C#N;SNILRBBWONSTQV-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50045;MM50045;C#CCC(F)C(O)C=O;UMLBXHLASYAAKT-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50046;MM50046;C#CCC(F)C(O)C#N;SELWGPPDDHOAFY-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50047;MM50047;CN(CC#N)C(=N)C(N)=O;RCLILSMXVKLFGR-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50048;MM50048;CCC(=O)CCNN=CN;IFHMSSAZJQRHPN-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50049;MM50049;CNC(C)(C#N)CNC=O;BDBQHBQUMSXOAI-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50050;MM50050;CC(C)(C=O)CNN=CN;DXWBOKFDXHELAD-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50051;MM50051;C#CC(O)C(O)CCC;MQRIQEFCBOJDPO-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50052;MM50052;C#CC(O)C(F)CCF;YZMPMJXUTYVKOE-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50053;MM50053;CNCC#CC(C=O)OC;GNYGJPKEYKXUGL-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50054;MM50054;CNN=C(C)NOC=O;NCJLFTQAMUPMKK-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50055;MM50055;C#CC(F)C(O)COC;BQOOJPTXTGVOLN-UHFFFAOYSA-N;132.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50056;MM50056;CCN=CN(C=NN)OC;TWGUJVOTWNULET-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50057;MM50057;C#CC(O)C(C)CC=O;IKBOTLGFOLTKHP-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50058;MM50058;C#CC(O)C(C)CC#N;FUZCBUUPAOPODM-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50059;MM50059;C#CC(C)C(O)CC=O;LCFYGRCITABQDF-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50060;MM50060;C#CC(C)C(O)CC#N;RKLWTCIGHWIYSV-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50061;MM50061;C#CC(O)C(O)CC#N;MKMVRHIAKYXFJK-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50062;MM50062;C#CC(F)C(O)CC=O;YNKHSKAQJDCCIG-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50063;MM50063;C#CC(F)C(O)CC#N;QIFHFIWHBCOVOL-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50064;MM50064;C#CC(O)C(F)CC#N;QSPBXLAVLCZSTG-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50065;MM50065;C=CNC(C=NN=C)=NN;OZGMBTLRSOXXRL-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50066;MM50066;COC(C)ON=CC=NN;LZNCYWZEJGFNGP-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50067;MM50067;CCCC(O)C(=O)CO;BOTXXIYGLATGFY-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50068;MM50068;C=C(CO)C(F)CCO;QFURFVBAVODUGE-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50069;MM50069;CC(OC=NN)ONC=N;JKNLVLOXAWZLEP-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50070;MM50070;C=NOC(=NOC)NC=N;DIWCWTGWUDEEEG-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50071;MM50071;C=C(CC#N)NC(=N)C=O;RGJMFEJAWFJQEL-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50072;MM50072;COCC(=NN)C(=N)N;AZCHNTKZVKEKLN-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50073;MM50073;N=C(N)C(=O)C#CC=O;GEVOQUMHYAEHDR-UHFFFAOYSA-N;124.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50074;MM50074;NN=CNC(C=NO)=CF;WQVVABYZSXWIPV-UHFFFAOYSA-N;146.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50075;MM50075;CCCC(O)C(=O)NC;FFGWANFTWMYTGB-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50076;MM50076;CCCC(F)C(=O)NN;WUJMXEFMJHSRCD-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50077;MM50077;CCCC(F)C(=O)NO;NDZMLPSBRGGLEK-UHFFFAOYSA-N;135.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50078;MM50078;CCOCC(=NN)C(=N)N;FVKCMRGGOXNPNO-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50079;MM50079;CC(=N)N(C)C(=N)C=NN;GSSUBUHNNPRZMG-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50080;MM50080;C=C(C)N=C(C)NC(N)=O;NRQXVVHNLHQXKG-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50081;MM50081;CNC(=O)C(C)COC;SWWARKDGTDXFOW-UHFFFAOYSA-N;131.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50082;MM50082;CNCC#CC=NNC=N;SEXLPSPOYONCGB-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50083;MM50083;CNC(=O)C(F)COC;BOJBIIHRCHHFTI-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50084;MM50084;COCC(O)C(=O)OC;RDTIMTCYHCPDEM-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50085;MM50085;CCN=CN=CNC;RVNJOMZKLAMOLD-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50086;MM50086;CON=C(NC=N)C(=N)N;GSMYLADLCOYSNG-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50087;MM50087;CCOC(C)C(=O)CO;DFQFQXAJWUFQSK-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50088;MM50088;CN=C(COC=NO)NN;LDTRJOUWUSZHGJ-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50089;MM50089;CCOC(C)C(=O)NC;KHDCWUPGWDVEQL-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50090;MM50090;N#CCCCNC=NO;AQBFEEYYFGOXST-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50091;MM50091;CNCC(F)CCC=NO;IKBJHXPFHKFKSK-UHFFFAOYSA-N;148.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50092;MM50092;C=CNC(=O)NC(=N)NN;MXBFOFYXQILIRJ-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50093;MM50093;CCCN(C)C(=O)NC;RNHVJBJVOGMYMW-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50094;MM50094;CNC(=O)N(C)CCO;FFFPWRMGEIQKCP-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50095;MM50095;N#CCNC(=NO)NC=N;WZJNNJKMZLNDFP-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50096;MM50096;C#CCNC(=NO)NOC;ANGQOXJKHGFXJQ-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50097;MM50097;CCCN(O)C(=O)OC;HKRGFEGDHNXTBX-UHFFFAOYSA-N;133.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50098;MM50098;CCN(C=N)C=NCC#N;LDYGNRUANIXHGO-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50099;MM50099;C=C(NC=NC)C(C)=NO;ANHSDWQMKFQMOL-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50100;MM50100;C#CC(=NNC)NNC=O;FWLZZQDSMBVJCN-UHFFFAOYSA-N;140.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50101;MM50101;C=NNC(=NOCC)NN;DGJLUYZSDDOLOL-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50102;MM50102;C#CC(=N)N(O)CC#N;JHVBJABOLNRFNW-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50103;MM50103;CCNN(C)C(=O)NO;DTKVLCSEHLZQPK-UHFFFAOYSA-N;133.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50104;MM50104;N=C(NO)C(F)CO;YOTWKJSKTBFYTF-UHFFFAOYSA-N;122.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50105;MM50105;C#CC(=NN)C(=NC)NO;CJDVRGUOMHOVJL-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50106;MM50106;CC(CC=O)C(=O)CO;XXPRGFKFYCTGPI-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50107;MM50107;CC(CC#N)C(=O)CO;IYVJXZKTZFSSRL-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50108;MM50108;COC(=N)NN=CNO;CLWBQERYHGFHBR-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50109;MM50109;C=C(CC)C(O)CC=O;ZHRHKGFOZYEPHH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50110;MM50110;C=CCC(O)C(=C)CO;CXIDMGJCMLDIAG-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50111;MM50111;C=C(CF)C(O)CC#N;IFAIONUJMTUWBD-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50112;MM50112;CCC(=O)C(O)CC#N;XEAJBQLJBYBUQK-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50113;MM50113;C=CCC(O)C(=O)CF;RFWUMWKYWYFGEX-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50114;MM50114;C=CCC(F)C(=O)CO;UYQYYUBLSLLZER-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50115;MM50115;C#CC(O)C(=NCC)NC;YVMGTTGIYXQRQQ-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50116;MM50116;C#CC(C#N)NC(=N)OC;YUWFPHLTYLVKRU-UHFFFAOYSA-N;137.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50117;MM50117;CC(CC#N)C(=O)NO;GEWSOBZVRBWNJS-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50118;MM50118;C=CCC(F)C(=O)NN;UCOQDBZDCKKKLR-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50119;MM50119;N#CCC(F)C(=O)NO;XQCFAKAJCNNEAP-UHFFFAOYSA-N;132.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50120;MM50120;C=C(OC)C(O)CC#N;UCEQORMTGPXNGZ-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50121;MM50121;C=CCC(O)C(=O)OC;JZBUJSFCZCCWBE-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50122;MM50122;COC(=O)C(O)CC=O;MTHRVOJUPHYXIF-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02425;MM02425;COC(=O)C(F)CC=O;KCFXWSXMWQUFKN-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50123;MM50123;C=C(CF)C(C)NC=O;GPRGYSWODIPECI-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50124;MM50124;C=CC(N)C=C(F)C(C)O;SUQRYQSRKODADF-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50125;MM50125;C=C(C)NC(=O)C(C)NC;HZPZYBMZQWADDJ-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50126;MM50126;C=C(CO)C(C)OC=O;RBRXCTRBTSPCLF-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50127;MM50127;C=NN=C(C=NOC)NN;PFUCEQRSHRFZJX-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50128;MM50128;C=COC(C)C(=O)NC;PASJACWKRXDCHG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50129;MM50129;C=CNC(C#CCO)=NC;CKEQVTFORGJCPS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50130;MM50130;CCNN(C)C(CO)=NC;RACBRDMSYSJNCK-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50131;MM50131;C=NN=C(C=NNC)NN;FGNOQLMODBUDQX-UHFFFAOYSA-N;142.17;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50132;MM50132;C=NOC(=NN)N(N)CC;NYAFJHYARSBLTP-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50133;MM50133;C=CCN(O)C(C)=N;OBXFHSHHYQNTIT-UHFFFAOYSA-N;114.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50134;MM50134;COC(=N)N(C)OC=NN;KDGRWPCBWVURGZ-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50135;MM50135;C=CCN(O)C(=O)CC;MGMJOENAAUCQGX-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50136;MM50136;C=CCN(O)C(=O)CF;YSWITAUHZYBHHJ-UHFFFAOYSA-N;133.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50137;MM50137;C=CN=CNC(=N)NO;YDRYSJOIOCUCFY-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50138;MM50138;C=CCN(C)C(=O)NC;QZWADTYYWACRBF-UHFFFAOYSA-N;128.18;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50139;MM50139;CNC(=O)N(C)CC#N;OXWZVEWXHORFTI-UHFFFAOYSA-N;127.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50140;MM50140;CN(CC#N)C(=O)NO;HNXDIMBLPBGZDP-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50141;MM50141;CC(=O)C#CC(=O)C(=N)N;PDXJZOJUUUFNQM-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50142;MM50142;C=NN=C(NN)C(C)=NO;QOOINZFEEMMJJW-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50143;MM50143;CNN=CN(C)C(=N)NO;UQODPOYHUZXPFY-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50144;MM50144;C=NN=C(NN)NC=O;PUHAZUPMKVAVEJ-UHFFFAOYSA-N;129.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50145;MM50145;C=CCN(C)C(=O)OC;VVLFHWMCBCHZGH-UHFFFAOYSA-N;129.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50146;MM50146;COC(=O)N(C)CC#N;MCPVWAYSGAGAJG-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50147;MM50147;C=CN(C=N)C(=N)NN=C;MOSRLFKCSMZNOG-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50148;MM50148;C=CNC(C=NO)=NN;LWSWHVCXVFBPJZ-UHFFFAOYSA-N;128.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50149;MM50149;CC(=NC(C)C)NC(N)=O;FTLVFXMVICCREX-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50150;MM50150;NNC(=NO)NC(N)=O;ODUBRZBNKFTVOQ-UHFFFAOYSA-N;133.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50151;MM50151;CCC(=O)N(C)OC=O;DHXHRQPYFZJVJH-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50152;MM50152;CNC(=O)N(C)OC=O;ZXZGXBBOUOKFBZ-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50153;MM50153;COC(=O)N(C)OC=O;YKOSOTVCOUVXTB-UHFFFAOYSA-N;133.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50154;MM50154;C#CCC(C)C(=O)CO;DLPBSSURRUMLIM-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50155;MM50155;C#CCC(O)C(=C)CO;REWOWPDSSAQGKK-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50156;MM50156;CC(O)C=CC(N)C=CF;FUGNOKMWPXJIFZ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50157;MM50157;C#CCC(F)C(=O)NC;CIAOZBUWUDVAPM-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50158;MM50158;C#CCC(O)C(=O)OC;GFHNLGQIBKBFPB-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50159;MM50159;C#CCN(C)C(=O)NC;ONZVMLQFBUIZIV-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50160;MM50160;CN(CCO)CCCF;FGSFGHQDAOASHE-UHFFFAOYSA-N;135.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50161;MM50161;C=CCNCC(C)=CCO;RZYJAOLWJIEPPR-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50162;MM50162;CC(CCO)C(=O)C=O;RJFVEGVRNPICCM-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50163;MM50163;CC(CCO)C(=O)C#N;WUZATORRPFIKQZ-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50164;MM50164;C#CC(=N)NN=CC#N;OWJQGIGYYFWUFA-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50165;MM50165;C=C(C=O)C(O)CCF;IIRPCIUVCYUUSX-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50166;MM50166;C=C(C#N)C(O)CCF;QLJITEQCTYPNAG-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50167;MM50167;CCCC(O)C(=O)C=O;MSYMHAOFLHALGS-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50168;MM50168;O=CC(=O)C(O)CCF;RTLGJQOWIZURMS-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50169;MM50169;O=CC(=O)C(F)CCO;QKIMEQKGIPLVPQ-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,5-difluoro-2-oxopentanal;MM02147;O=CC(=O)C(F)CCF;XGCFJMRGJBWJRI-UHFFFAOYSA-N;136.1;0.45;121318252;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50170;MM50170;NC(C=CF)C=CCO;NVPMEXAZEVUCBP-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50171;MM50171;C=C(C)CNCC=CCO;WZBJABQPMMZOCL-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50172;MM50172;C=C(C)C(C=CCO)NC;FZZWQIHLFJWVGJ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50173;MM50173;CCN(CCO)C(C)=NO;NGHBLRVADUPCPV-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50174;MM50174;C=C(C#N)C(O)COC;XRGBUJPQMWBARP-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50175;MM50175;COCC(F)C(=O)C=O;KLVGTBZIGUXLDG-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50176;MM50176;CCOC(C)C(=O)C=O;VUNAKDMJSGEODG-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50177;MM50177;CCCN(C)C(=O)C=O;KMMFCSLJYKTUBO-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50178;MM50178;CN(CCO)C(=O)C=O;QIEAYNWSWSKMDC-UHFFFAOYSA-N;131.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50179;MM50179;CN(CCF)C(=O)C#N;PHQXUWSOZICFBZ-UHFFFAOYSA-N;130.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50180;MM50180;CON=C(NN)C(O)CO;JXCSRAPBHVBQMY-UHFFFAOYSA-N;149.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50181;MM50181;N#CC(C=O)N(O)C(=N)N;SKQBJFIWFVSTMY-UHFFFAOYSA-N;142.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50182;MM50182;COC(CF)=NNC(=N)N;ARXCNOBXXYKZJK-UHFFFAOYSA-N;148.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50183;MM50183;CCON(C)C(=O)C#N;QXBCAETWLOUSSJ-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50184;MM50184;C=C(C#N)C(C)CC=O;LIGONVYOUUAVBJ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50185;MM50185;C=CCC(C)C(=O)C#N;ISHBNBMAXFZXIQ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50186;MM50186;CC(CC#N)C(=O)C=O;KYNLMACDYIKYFD-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50187;MM50187;C=C(C#N)C(O)CC#N;SDHKEOIIHFXASA-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50188;MM50188;N#CCC(O)C(=O)C#N;XRPSSGAAAGQUSC-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50189;MM50189;C#CC(=N)N(CC)CC=O;PQCQOITYKUFXEB-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50190;MM50190;CN(C)N=C(CO)N(C)O;JBSGOXGZHPYMMF-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50191;MM50191;CC=NNC(=NOC)NN;ADOVNIMAXYTWFE-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50192;MM50192;CNC(C=CC=O)CC=O;IVJYQGLGKWGLSU-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50193;MM50193;C=COC(C)C(=O)C=O;ZTPVIZBRBVVGLF-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50194;MM50194;CC(OC=O)C(=O)C=O;VSLALVTXTVMREY-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50195;MM50195;C=CC(=NC)NOCC=O;FDNYYRQFMSKTRX-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50196;MM50196;C=CCN(C)C(=O)C=O;HMEPUQIDBWGNTH-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50197;MM50197;CN(CC=O)C(=O)C=O;VKJKOURQYBTJQR-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50198;MM50198;CN(CC#N)C(=O)C#N;ZQHPQIIEFULNDB-UHFFFAOYSA-N;123.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50199;MM50199;C=C(C)NC=NCC(C)=O;YLFLAEMPYUJWLT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50200;MM50200;CNCC=C(F)C(C)=O;NGVBPOLXKBQHQA-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50201;MM50201;N#CCN(O)C(=N)C#N;XTJYGOAHQDJXBP-UHFFFAOYSA-N;124.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50202;MM50202;C=CCN(O)C(=O)C=C;FMHXNVDZBJMLAM-UHFFFAOYSA-N;127.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50203;MM50203;CN(OC=O)C(=O)C#N;GBTVNNDAHOTABJ-UHFFFAOYSA-N;128.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50204;MM50204;C#CCC(O)C(=C)C=O;SKYFHBURGPGQNC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50205;MM50205;C#CCC(O)C(=O)C=C;ITJHHEUMYDXJAH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50206;MM50206;C#CCC(O)C(=O)C=O;ZOQCZBRKOPLAJJ-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50207;MM50207;C#CCC(O)C(=O)C#N;VDVRFUVVAIWZMS-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15563;MM15563;C#CCC(F)C(=O)C=O;MCDYZEPPMZVHTF-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50208;MM50208;C#CCN(C)C(=O)C#N;PCNHZCRIFBLOCX-UHFFFAOYSA-N;122.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50209;MM50209;CNC(=NN)C(=N)N(C)N;JPEDRYNIFXLFPE-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50210;MM50210;C#CC(=O)C(F)CCF;MZKZAQUKEVLLBM-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50211;MM50211;C=NNC=NCCNCC;XZYSEQVZVZGZOA-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50212;MM50212;C#CC(=C)C(O)COC;DLVCYFSZEAOQRY-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50213;MM50213;C#CC(=O)C(O)COC;JOVXFDCORLADCG-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50214;MM50214;C#CC(=O)C(F)COC;STHKXUPNUWEIQW-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50215;MM50215;C=NNC(=N)CC(C)(C)N;JEFRZOAJTMYFAI-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50216;MM50216;C#CC(=O)N(O)CCC;CLWKDIJCTIGBKF-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50217;MM50217;C#CC(=O)N(C)OCC;JVHGOOSMCXAAOU-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50218;MM50218;C#CC(=C)C(O)CC=O;OFYNVHXDCWCYMB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50219;MM50219;C#CC(=C)C(O)CC#N;KWYUUHPOLUMUOC-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50220;MM50220;C#CC(=O)C(O)CC=C;CYVDDPLGHGFQBG-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50221;MM50221;C#CC(=O)C(O)CC#N;JUURUSKHKVRNIW-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50222;MM50222;C#CC(=O)C(F)CC#N;GXMBRWCZOXAYHK-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50223;MM50223;C#CC(=C)C(C)NC=O;QNNVHLWPUCPWRF-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50224;MM50224;C#CC=NNC(CO)=NC;HRWOOPGAOQDQJP-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50225;MM50225;C#CC(=O)C(C)NC=O;OTWHYOHXIBPVBB-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50226;MM50226;C#CC(=O)N(C)CC#N;SZAIRPKBCGIFPK-UHFFFAOYSA-N;122.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50227;MM50227;C=C(C#CC=NO)CN;RZZOWLIUTZVUCF-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50228;MM50228;CNN=C(NC=N)NC=O;MYLIGSOZBMSKLJ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50229;MM50229;CNC(=O)ONC(=N)OC;VZMDBUMANYSHOH-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50230;MM50230;C#CC(=O)N(O)CC=C;OMQVUZSSZUKASJ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50231;MM50231;CC(N=CNO)=C(F)C#N;DMGZNXZDZFPHRQ-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50232;MM50232;C#CC(=O)N(C)OC=O;GVYUTOCRSLYHPX-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50233;MM50233;C#CCC(O)C(=O)C#C;YZTVKBLGRUNKNZ-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50234;MM50234;C#CC(O)C#CC(C)(C)N;TWGPPSXWNHJGTJ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50235;MM50235;CC(CO)C(=O)CCF;WQDAASHMROLRPO-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50236;MM50236;CC(CF)C(=O)CCO;GOLKHZAUFUTTHS-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50237;MM50237;CNC=CC(C=O)=NNC;ROEQPLBMFNKHSQ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50238;MM50238;C=CC(N)C(C)(O)C#CC;XGGCBTXBDKBRDW-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50239;MM50239;COCC(=O)C(C)CF;JZNGJNFLGPTWPM-UHFFFAOYSA-N;134.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50240;MM50240;C=CC(=NO)C(=N)NC;HMNVOKDRTJIFRH-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50241;MM50241;COCC(=O)C(C)OC;FOBZQKQDTJRGPE-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50242;MM50242;C#CC(O)C(=C)C(N)C=C;QCNAEUUTRYMZQV-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50243;MM50243;CCNC(=O)C(C)CO;JERRYKVUSRODPI-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50244;MM50244;CCNC(=O)C(O)CC;TYEUXSRAMCAJCV-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50245;MM50245;CCOC(=O)C(C)CO;SLKZIPLLOLLLPQ-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50246;MM50246;CCOC(=O)C(F)CO;OJWDFJSPDAOXMZ-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50247;MM50247;COC(C=O)=NN=C(C)N;RJWAQRRIDFOJQU-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50248;MM50248;CCCC(=O)N(O)CC;NAVXEYVRZBCECC-UHFFFAOYSA-N;131.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50249;MM50249;CCN(C)C(=O)COC;IJUMDSZWMBPSHQ-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50250;MM50250;CCCC(=O)N(C)OC;KHNDGDMDYRDYBR-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50251;MM50251;CON(C)C(=O)CCF;GNFNFSQQDQLHJJ-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50252;MM50252;COCC(=O)N(C)OC;YFNOEDJHRRXTRH-UHFFFAOYSA-N;133.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50253;MM50253;NC(CO)(CO)CO;LENZDBCJOHFCAS-UHFFFAOYSA-N;121.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50254;MM50254;CCN=C(N)C(C)=O;LRDCKCDUBYBTLI-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50255;MM50255;C=NOC(=NC(C)C)NN;UXGBLUBQYZXVOU-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50256;MM50256;CCNC(=O)N(C)OC;LPAKFTWYRVSMNQ-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50257;MM50257;CC(C)C(=N)NC(=O)NO;RYAOIVBZICSWID-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50258;MM50258;CNC(C)(C)C#CCO;RZHSRJDCRQGCBI-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50259;MM50259;CC=CC(N)(CO)CO;JHOUATTUZJLDDZ-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50260;MM50260;CCOC(=O)N(O)CC;XBFRDWDIRDJREW-UHFFFAOYSA-N;133.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50261;MM50261;CCC=CC(N)(CO)CO;ABKIHDQTLOSGDL-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50262;MM50262;C=C(CC=O)C(O)CC;LLZXKAAWRQNDKJ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50263;MM50263;C#CC=CC(N)(C=C)CO;GJBYNAGNSYAAOO-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50264;MM50264;C=CCC(=C)C(O)CO;LXQXTGBIGKBOFG-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50265;MM50265;C=C(CC#N)C(O)CF;SXNNPKSXLQRTDX-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50266;MM50266;C=C(CC#N)C(F)CO;DIAJURYREKGIOU-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50267;MM50267;C=CCC(=O)C(C)CO;OUUVRQQBFVSDRP-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50268;MM50268;CC(CO)C(=O)CC#N;OLKWMCIPDBBPNI-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50269;MM50269;C=CCC(=O)C(O)CC;OZWRUFUURXJBJR-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50270;MM50270;C=CCC(=O)C(O)CF;FRCNGBPXFHHQSW-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50271;MM50271;C=CCC(=O)C(F)CO;XHWWDXHEYPBSFF-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50272;MM50272;C#CC(=NC)N(N)C=NO;UGHFBWFLTMQDOI-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methoxy-3-oxopentanenitrile;MM02657;COC(C)C(=O)CC#N;VHHIRQWGZCPXPV-UHFFFAOYSA-N;127.14;0.5;84819748;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50273;MM50273;C=C(NC=O)C(C)CO;IMTAPPKALIFMIG-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50274;MM50274;CN(C=N)C(=NC=O)NN;ZPGDTVHFDJDNTJ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50275;MM50275;CNCC(=C(C)F)C(C)O;UNYFDNGBPOJIOG-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50276;MM50276;C=C(NC=O)C(O)CO;BAZXMUUUHAIBOD-UHFFFAOYSA-N;131.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50277;MM50277;CCC(O)CN(C)CCO;UTQDHZMLKBOPTL-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50278;MM50278;C#CC=C(CO)C(N)C=C;JSKDUDHUTSPVLR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50279;MM50279;CN=C(NO)C(C)=NO;CPDXAARQJDBEHT-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50280;MM50280;N=CNC(=O)NC=N;UTPWVLHKOTZOCK-UHFFFAOYSA-N;114.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50281;MM50281;C=COCCCNC=NO;USOOMQTUGUGRAT-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50282;MM50282;CCC(C)C(=O)NC=O;FDEZSWFARWMPHW-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50283;MM50283;CCC(F)C(=O)NC=O;JYJYZEYXDNUBDK-UHFFFAOYSA-N;133.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50284;MM50284;C=CNC(=O)C(F)CO;AHCKJGQLBLZPIP-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50285;MM50285;N=CNC(=O)C(F)CO;SJUFAAUORSSICU-UHFFFAOYSA-N;134.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50286;MM50286;C#CCC(CO)N(C)C;ZCMKSBVLBMCVHH-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50287;MM50287;C#CC=CC(N)C(=C)CO;QZEAYTASCYBPQR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50288;MM50288;C=NNC(=O)C(O)CO;LTEAQIHBOULVIN-UHFFFAOYSA-N;132.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50289;MM50289;C=C(NC=O)C(C)OC;AEAKCAIKUIFYQH-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50290;MM50290;C=CNC(=O)C(C)OC;IGETVHNKSAETOW-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50291;MM50291;C=CC=NNC(=NO)NC;ZIFFYTUILQEXFR-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50292;MM50292;C=NNC(=O)C(C)OC;BIEJPGQFUOMBRH-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50293;MM50293;C=COC(=C)C(O)CO;LQTGDPBBWSBRNS-UHFFFAOYSA-N;130.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50294;MM50294;C=COC(=O)C(O)CO;BHYJFVNGSIACSN-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50295;MM50295;C#CC(=CCO)CNCC;AMNBLGHJCPXKSE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50296;MM50296;CCN(C)C(=O)CC#N;OOKDKRGEASFNIU-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50297;MM50297;CNN(C)C(=O)CC#N;GRTKAPJCGJCIMI-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50298;MM50298;N#CCN(O)C(=N)NO;KQHZSXTYDQZKDI-UHFFFAOYSA-N;130.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50299;MM50299;CON(C)C(=O)CC#N;LVFHKNRQGPZGGE-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50300;MM50300;C=NN=CC(=CCO)CN;WQIMIMJXPMHLKX-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50301;MM50301;C=CNC(=O)N(C)CC;FMEXHWRXIKKQGH-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50302;MM50302;CCN(C)C(=O)NC=O;LPNBFPYGPIABKI-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50303;MM50303;CC=C(C#CC(C)N)CO;CMEGGTFONSARHK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50304;MM50304;C=NNC(=NOC)NN;LBGWEVXOJVKWEC-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50305;MM50305;CC=NN=C(CO)NN;ULLWBWTVAOPOIH-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50306;MM50306;C=NNC(=O)N(O)CC;VREKPHPEBBQEFK-UHFFFAOYSA-N;131.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50307;MM50307;C=CNC(=O)N(C)OC;LHOSBMXXXCWEAJ-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50308;MM50308;CC(C)=NN=C(CO)NN;AJJPUOUZRDSVRD-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50309;MM50309;C#CC(CCO)NCC;MUIHBKPEFYPVOO-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50310;MM50310;C=NNC(=O)N(C)OC;RAJJQKNMWHNODC-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50311;MM50311;CNNC(=NC=O)N(C)C;FCVFGXSSNWYQBL-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50312;MM50312;CCC=NN=C(CO)NN;YHHYLQRIQQKRPP-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50313;MM50313;C#CCC(=O)C(C)CO;RBHKEMASKUBOTJ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50314;MM50314;C=C(C#CC(C)N)C(C)O;TVETZZGCNUKBFS-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50315;MM50315;C#CCC(=O)N(O)CC;IDCOQTLZFRCBAV-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50316;MM50316;C#CCC(=O)N(C)OC;MXHHTIQXKIMAEQ-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50317;MM50317;N=CN(O)C=NOC=O;PEKFJDTZMJOCAO-UHFFFAOYSA-N;131.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50318;MM50318;C=CC(O)C(=C)CCO;ZOGZPKLQZJCSRN-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50319;MM50319;C=C(CCF)C(O)C=O;YYWXYTPFKLTHOK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50320;MM50320;C=CC(C)C(=O)CCO;ATIZXIPLTMCDDD-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02839;MM02839;CC(C=O)C(=O)CCF;YKTYUDKZASXISJ-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50321;MM50321;CCCC(=O)C(O)C=O;GIDOBZXUXDNRDY-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50322;MM50322;O=CC(O)C(=O)CCF;YRSYTCLJWSDJLJ-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50323;MM50323;N#CC(O)C(=O)CCF;LEUNDYTVMGWSBC-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50324;MM50324;C=CC(F)C(=O)CCO;PRLMNJDJWJUMSB-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50325;MM50325;O=CCCNC=NC=CF;OVAAKMUBZQLCNJ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50326;MM50326;CONC(=N)NC=NN;ORFVVFXCUUWWRB-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50327;MM50327;N=C(N)NN=CC#CC=O;GFHWTJDUGRBYLE-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50328;MM50328;C=C(COC)C(O)C#N;QEDJIQXEPAOLKC-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50329;MM50329;COCC(=O)C(O)C#N;SQJLXVFDTPGGAB-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15885;MM15885;C=CC(F)C(=O)COC;AJOWLKCYODKVLL-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02869;MM02869;COCC(=O)C(F)C#N;JJOQBSCHXRXSNL-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50330;MM50330;CN=CN(O)C=NC=O;LLQAMJCTDSRCIM-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50331;MM50331;C=CNC=NC(C=O)CC;SDCKFYIUQBNBGJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50332;MM50332;CCNC(=O)C(C)C=O;AEOHOLDJJRFSHY-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50333;MM50333;CCNC(=O)C(F)C=O;QCBRYBYHVKIWNA-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50334;MM50334;N=C(C=CN)NC=NN;MTCZASVDLDAUIZ-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50335;MM50335;CNC(=NOC=O)N(C)O;ICJQDVVWMSVGLH-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50336;MM50336;CNNC(=O)C(F)C#N;SVSNFMIVYPJZSO-UHFFFAOYSA-N;131.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50337;MM50337;C=NN=C(NC=N)C(=N)N;XGEWBGUUBKUJHI-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50338;MM50338;CC#CC=CN(O)C=NN;PBDIBKWGZIJSDF-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50339;MM50339;COC=NNCC(C)N;VWRBJNLBHGZHSY-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50340;MM50340;C=C(OCC)C(O)C#N;KSFOUYZJINOIBD-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50341;MM50341;CCOC(=O)C(O)C#N;IYPJQABCLBFGTB-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50342;MM50342;C=C(CCO)N(C)C=O;LSSINTSISMZPLI-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50343;MM50343;C=C(CCO)N(O)C=O;IIVVXEVKKRRNRN-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50344;MM50344;C=CN(O)C(=O)CCF;BBPFYMGMLMMGIZ-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50345;MM50345;C=C(COC)N(C)C=O;UOJCGCYDSAVOJZ-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50346;MM50346;CN(C)C=NN=CCO;PUTWTMBQXPTTHS-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50347;MM50347;C=C(COC)N(O)C=O;PVADKZPFWQGTQT-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50348;MM50348;C=CN(C)C(=O)COC;ZZDLFZIHFZIJIV-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50349;MM50349;COCC(=O)N(C)C=O;NVYOXIKAIRDMDD-UHFFFAOYSA-N;131.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50350;MM50350;C=CC(=NC=NN)N(C)C;YZQNJGUOBRQFBQ-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50351;MM50351;C=CN(O)C(=O)COC;COWJCZGJXZDSCX-UHFFFAOYSA-N;131.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50352;MM50352;COC(=CN=CN)C(C)=O;GUEZHXWLFVMHBS-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50353;MM50353;COC(=NN=CCO)NN;HITYNMYEJICJFH-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50354;MM50354;C=CN(C)C(=O)NCC;LKBBLWCEGSMDKB-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50355;MM50355;CN=C(NC)C(F)C#N;PQSJWTMKWNAWLQ-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50356;MM50356;C=CN(O)C(=O)NCC;CTDLNYJAFOWGFX-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50357;MM50357;CC#CC(N=CNO)=NN;BOBIENGFRAVGMI-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50358;MM50358;CCNC(C#N)CNC=O;PADWZRDSSVOSNE-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50359;MM50359;C=CN(O)C(=O)NNC;HEIUWTQETGSSHO-UHFFFAOYSA-N;131.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50360;MM50360;CNNC(=O)N(O)C=N;INCNWXSSCDPIOG-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50361;MM50361;C#CCOC(=NN=C)NN;BRTVBZCHLWDQSD-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50362;MM50362;C=CC=C(C#N)C(=N)N;PFXCQUPMYQZBKS-UHFFFAOYSA-N;121.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50363;MM50363;N#CC=CC(C#N)NC=N;DHEZWMBWGZHBAA-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50364;MM50364;C#CCN(C=N)CC=NO;IEPVFRYLKMSRKD-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50365;MM50365;CONC(=O)N(N)C=O;UCKCZTVZTQLGAW-UHFFFAOYSA-N;133.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50366;MM50366;C=CN(O)C(=O)NOC;CVOQFIFHWNXZQN-UHFFFAOYSA-N;132.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50367;MM50367;C=C(OCC)N(O)C=O;XFEAFJDHXGKJOE-UHFFFAOYSA-N;131.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50368;MM50368;C=C(CC#N)C(O)C=O;NBRNQIPSRGLVQJ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50369;MM50369;C=C(CC#N)C(O)C#N;IRJLYCRNQJVXJO-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15624;MM15624;C=CC(C)C(=O)CC#N;QNTUTZDCIFJSRE-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02893;MM02893;CC(C=O)C(=O)CC#N;BDJHLASRVQIBBP-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50370;MM50370;C=CCC(=O)C(O)C=C;UXSMNFWIPIJHGF-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50371;MM50371;N#CCC(=O)C(O)C#N;YTPMVAVFAMSKKI-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16589;MM16589;N#CC(F)C(=O)CC=O;FYGATHGPSOGMPY-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16582;MM16582;N#CCC(=O)C(F)C=O;MWNOCWFZOLBWRP-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50372;MM50372;CN(C=N)NC(=O)C#N;BKFIBZYRAPSHAP-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50373;MM50373;C=C(NC=O)C(C)C#N;ZFWYHFFRTDJCSP-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50374;MM50374;CCC(=NCC#N)NC=N;IEPINMGEDZCVLM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50375;MM50375;NN=CN(N)C=NN;JNCLKDMCWQDZAT-UHFFFAOYSA-N;116.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50376;MM50376;C=C(NC=O)C(O)C#N;YHYFVMDLOPVNHC-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50377;MM50377;C#CC=NN=C(NN)OC;HZZJPRYPMWZBAH-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50378;MM50378;C=C(NC=O)C(F)C#N;JFVVWWQGVRUJQN-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50379;MM50379;C=CCOC(=NN=C)NN;SGAZHISJXWCTIL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50380;MM50380;C=CC=NN=C(NN)OC;SDOMTNHRBQYLSO-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50381;MM50381;C=NN=C(NN)OC;CLXMSXJIZYYYJA-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50382;MM50382;CCC(C#N)C(=N)NC=N;YVHVLPJLMHWAQP-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50383;MM50383;CC(C#N)C(=N)NC=O;PKPUUSKMBCEFPI-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50384;MM50384;CC(=NNC=O)C(C)(C)N;JFXAOWUAPARXAX-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50385;MM50385;C=NN=C(NN)OCC;UVEHEYQSZBEOJO-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50386;MM50386;N#CC(O)C(=N)NC=O;YZIBXINKALPVSU-UHFFFAOYSA-N;127.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50387;MM50387;CC=NN=C(NN)OC;JGCYTZMLCWWIBI-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50388;MM50388;CN(C)C(=NO)NC=N;NMKATXNFNHMVOP-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50389;MM50389;N=C(NC=O)C(F)C=O;RSJLWGRCXJRJGA-UHFFFAOYSA-N;132.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50390;MM50390;C=CNC(=O)C(C)C=O;HMEYVURCOGJTJS-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50391;MM50391;O=CNC(=O)C(O)C=O;WAPIFFWZCCYSRW-UHFFFAOYSA-N;131.09;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50392;MM50392;C=CNC(=O)C(F)C=O;KPSALVIIYNXEJH-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50393;MM50393;N#CC(F)C(=O)NC=N;KZKSPBBTWBZEND-UHFFFAOYSA-N;129.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50394;MM50394;C=NN=C(NN)OC(C)C;KSHXKDPQUKFNAD-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50395;MM50395;CCC(C#N)C(O)CNC;JBLUDMOQBAWSII-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50396;MM50396;CN=C(C)NC(=N)C(C)O;AKNOQLVFMFGVRM-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50397;MM50397;C=NNC(=N)C(O)C#N;NATQOKHKJYUFNN-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50398;MM50398;CNC(=CC=O)N(O)C=N;OJKKTMMCSCDTPN-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50399;MM50399;C=NNC(=O)C(C)C=O;FFXDRUMANFINAY-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50400;MM50400;C=NNC(=O)C(C)C#N;RCBOZVMLCCGGKQ-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50401;MM50401;C=CC(O)C(=O)NN=C;HBFMSMSXQPTPHL-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50402;MM50402;C=NNC(=O)C(O)C=O;DGWIJGZEPQJCDX-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50403;MM50403;C=NNC(=O)C(O)C#N;RRJJGQLOCCGQOT-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50404;MM50404;C=NNC(=O)C(F)C#N;FWBURYGOGJBDKC-UHFFFAOYSA-N;129.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50405;MM50405;C=COC(=C)C(C)C#N;BPFDUYYVRQRGLR-UHFFFAOYSA-N;123.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50406;MM50406;C=C(OC=O)C(C)C=O;SCTDPAGMIKFZPW-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50407;MM50407;C=COC(=C)C(O)C=O;BIQHVELJHBEMGY-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50408;MM50408;C=COC(=C)C(O)C#N;YNAGPJMVNAUSFF-UHFFFAOYSA-N;125.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethenyl 2-methyl-3-oxopropanoate";MM02409;C=COC(=O)C(C)C=O;ZEXSJPJQAJBKJV-UHFFFAOYSA-N;128.13;0.51;57077851;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Ethenyl 2-cyanopropanoate";MM02833;C=COC(=O)C(C)C#N;IHEOCGQPKRBXCO-UHFFFAOYSA-N;125.13;0.83;139826745;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50409;MM50409;C=COC(=O)C(O)C=C;UVJLGOICFQPIDC-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50410;MM50410;C=COC(=O)C(O)C#N;AACXGKCVBDJBFE-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16033;MM16033;C=COC(=O)C(F)C=O;WQDIZBIZMVCQII-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15941;MM15941;C=NOC(=O)C(C)C#N;YYQTWIQFJRXCRX-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50411;MM50411;C=CC(O)C(=O)ON=C;COBLRMMONMUCMC-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50412;MM50412;C=NOC(=O)C(O)C#N;BEHRZBXEELNRSZ-UHFFFAOYSA-N;128.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16028;MM16028;C=NOC(=O)C(F)C=O;IRCAGKSDSKFQDC-UHFFFAOYSA-N;133.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50413;MM50413;CCC(F)=CNC(=N)CO;QLSTVZOXMATGFD-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50414;MM50414;C=CC(N)(CO)CO;PCAYOONCNJUPEV-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50415;MM50415;C=C(CC#N)N(O)C=O;STIGQUVBLZBNDF-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50416;MM50416;C=C(C)NC(=NC=N)NO;WNQHESFSDVIHSA-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50417;MM50417;C=NN=C(NN)OCCC;HMKZEQFQIGHBIV-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50418;MM50418;CNN=CN(N)C=NC=N;CCTAYYQUSGMKPN-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50419;MM50419;N=C(NO)C(=CN)CO;UGBZEVSDEBSSCK-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50420;MM50420;C#CCON=CC=NN;PXIUICXRNOUWDX-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50421;MM50421;C=CN(C)C(=O)CC=O;QIAUTINESDHZMT-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50422;MM50422;C=CN(C)C(=O)CC#N;SRNBODMXIAIAOW-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50423;MM50423;C=CCC(=O)N(C)C=O;KDVIRLVJJGCMNB-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50424;MM50424;C=CN(O)C(=O)CC#N;MPFWNUCTEPXMQL-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50425;MM50425;CC(C)(F)C(C)(N)CO;AWNCKRWMYNVPEP-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50426;MM50426;C#CCOC(C=CN)=NO;LBWWCTGBGPKHPA-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50427;MM50427;C=COC(N)=CC=NO;LMLQPIKUBVPWGR-UHFFFAOYSA-N;128.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50428;MM50428;CCC(N)(CO)C(C)F;JLCWUFUQEASKRX-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50429;MM50429;COC(C=CN)=NO;VBAUBVLVLIEKOG-UHFFFAOYSA-N;116.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50430;MM50430;N=C(NC=O)N(O)C=O;JMRMDPXKNBYOKK-UHFFFAOYSA-N;131.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50431;MM50431;C=CNC(=O)N(C)C=C;MNOCKBNIGSCIDU-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50432;MM50432;C=CN(C)C(=O)NC=O;OVQHGSRJQMRXIM-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50433;MM50433;C=CNC(=NC=N)N(C)O;NIZPYTZLSWOIIJ-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50434;MM50434;C=CNC(=O)N(C)C=O;JXCIYGKMRBSSQT-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50435;MM50435;CN(C=O)C(=O)NC=O;NOMNJLWDBXKVMH-UHFFFAOYSA-N;130.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50436;MM50436;C=CCOC(C=CN)=NO;DGBBFXDUJJTIDW-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50437;MM50437;CCN(C)C(C)=NNC=O;KNOZGJWNJIYBSS-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50438;MM50438;C=CN(C)C(=NN)NO;MAQNIPLWTNWJSZ-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50439;MM50439;CC(C)OC(C=CN)=NO;MOBASDMYDNNACD-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50440;MM50440;NN(C=O)C(=O)NC=O;PFNUJCRIUDAABP-UHFFFAOYSA-N;131.09;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50441;MM50441;C=CNC(=O)N(O)C=C;YQDKCDYIQQWPNW-UHFFFAOYSA-N;128.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50442;MM50442;C=CN(O)C(=O)NC=O;ZUIBWYAUVJEDML-UHFFFAOYSA-N;130.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50443;MM50443;C=CNC(=O)N(O)C=N;ZQIZDDVIZPKTOJ-UHFFFAOYSA-N;129.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50444;MM50444;CC=C(CC(=N)NO)OC;YKKJODBNRQKQTN-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50445;MM50445;CCNCC(=CF)CO;CZOZJLNOWPDTEA-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50446;MM50446;CCCOC(C=CN)=NO;BMSVKISDOQJAFK-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50447;MM50447;C=COC=CC(CO)NC;AUIJFJSWOSSPDX-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50448;MM50448;C#CC(C=C(N)C=C)=NO;MKSXARXKONNGCP-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50449;MM50449;C=NNC(=N)N(O)C=O;TUAWEBKACIKBRS-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50450;MM50450;C=CN=C(C=C)NC(N)=O;PMMFAYIZHGWAGL-UHFFFAOYSA-N;139.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50451;MM50451;C=NNC(=O)N(C)C=O;RNEFPNKJWRNNQX-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50452;MM50452;C=CN(N)C(=O)NN=C;FRARTWPTVXRKIQ-UHFFFAOYSA-N;128.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50453;MM50453;C=NNC(=O)N(N)C=O;SQKRUZWUVCVNHK-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50454;MM50454;CN(O)C=N;KKYBALNLJYATDG-UHFFFAOYSA-N;74.08;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50455;MM50455;C=NN=C(NN)C(O)CC;RYVXUEYCHXHXRW-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50456;MM50456;C#CC(N)C(C)C(C)CO;UTKHMMLOPALDTP-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50457;MM50457;C#CC(=CCO)C(C)NC;JWJWOJIFGCNOLF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50458;MM50458;C=NNC(=O)N(C)N=C;YVTPDOAYJDLNAI-UHFFFAOYSA-N;128.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50459;MM50459;C=COC(=C)N(C)C=O;WMBHXUWMFPCEDZ-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50460;MM50460;C=C(OC=O)N(C)C=O;GIUBYOUXDSNPHX-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50461;MM50461;C=C(C#CC(C)N)CO;YGFFZODDSZWRFO-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50462;MM50462;C=NN=C(NN)C(C)(C)O;ICBCSNFYOMMNQW-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50463;MM50463;C=COC(=C)N(O)C=O;IPTRTFGXCIXKMX-UHFFFAOYSA-N;129.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50464;MM50464;CCN=CN(N)C=CCO;KIDDGMIDMXPXBC-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50465;MM50465;CCOC=CCNCCO;BQBBTNNEDJLHNS-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50466;MM50466;C=NOC(=O)N(O)C=O;FYOYORHKNYJXKP-UHFFFAOYSA-N;132.08;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50467;MM50467;C#CCC(=C)C(O)C=O;UPFRNTZANSKMGO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15969;MM15969;C#CCC(=O)C(C)C#N;FSTVAVJTFWJJNM-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50468;MM50468;C#CCC(=O)C(O)C=C;PTRQJROMTYRDIR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50469;MM50469;C#CCC(=O)C(O)C#N;VJRMDOXHUIHMGI-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16588;MM16588;C#CCC(=O)C(F)C=O;CJBZDBJAZQMFFZ-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50470;MM50470;C#CCC(=C)N(C)C=O;NFELQIMDFQFLEC-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50471;MM50471;C#CCC(=C)N(O)C=O;IYIREHAKAHVKJX-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50472;MM50472;C#CCC(=O)N(C)C=C;SDFDCWRDAWUGNL-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50473;MM50473;C#CCC(=O)N(C)C=O;KJAMROSYBNXTBF-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50474;MM50474;C#CC(C)C(=O)CCO;AIDPGDUQDOVTKK-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50475;MM50475;C#CC(O)C(=O)CCC;QICBSVORDYESAN-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50476;MM50476;C#CC(O)C(=O)CCF;WBTKHQWSLYQPJE-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50477;MM50477;C#CC(O)C(=C)COC;KWXGAEPYFAPPDY-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50478;MM50478;CC(O)CCN(C)C=NN;RSERBBDDYFTCAX-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50479;MM50479;C#CC(F)C(=O)NCC;GWJHSHOAJJTCTQ-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50480;MM50480;C#CC(O)C(=O)OCC;GDWLVFKOPXSIAE-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50481;MM50481;C#CC(O)C(=C)CC=O;MJABLHQHCXMTPZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50482;MM50482;C#CC(O)C(=C)CC#N;URFRFDYHKXYIAT-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15614;MM15614;C#CC(C)C(=O)CC#N;AKNIQAMFZASGAF-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50483;MM50483;C#CC(O)C(=O)CC=C;JRVJHFMSOYNADC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50484;MM50484;C=NN(C(C)=N)C(=N)N;LDLAWSLTFISUQT-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50485;MM50485;N=CNC(N)=NOC(=N)N;LXKAZEHTOYXOQL-UHFFFAOYSA-N;144.14;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50486;MM50486;C#CC(O)C(=C)NC=O;BPWWZYAJPPBHRC-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50487;MM50487;C=NN(C=O)C(=N)NO;JCACHRTVVUYPRK-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50488;MM50488;CN(C=N)C(=N)CC#N;VTZHCGCFDBCQNB-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50489;MM50489;C#CC(O)C(=N)NC=O;IXGGOUSZHBGKNZ-UHFFFAOYSA-N;126.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50490;MM50490;C=NN=C(C)N(O)C=N;JRHMJGJGGYHLBM-UHFFFAOYSA-N;128.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50491;MM50491;N#CC(=CN)C(=N)N;BETHKLGISXJZLO-UHFFFAOYSA-N;110.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50492;MM50492;C#CC(F)C(=N)NC=O;OTRDWPHCMBLHMG-UHFFFAOYSA-N;128.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50493;MM50493;C#CC(C)C(=O)NC=C;KYSWBWCNUWGWRK-UHFFFAOYSA-N;123.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50494;MM50494;C#CC(F)C(=O)NC=N;GQAWBSSDYLYWKH-UHFFFAOYSA-N;128.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50495;MM50495;C=NN=C(NN)C(C)O;WTOCIGIURKFNLM-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50496;MM50496;N=C(N)NC(C=O)=CC=O;WXKLFQIYBCASBY-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50497;MM50497;CC=NN=C(NN)C(C)O;RLUOCZXTOMWXBS-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50498;MM50498;N#CCNCC(O)CCO;ZQGCDIFQSPROCL-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50499;MM50499;C#CC(O)C(=O)NN=C;ONDWGOUHWSZCRD-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50500;MM50500;C#CC(F)C(=O)NN=C;HPMKKCNMYAMOHI-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50501;MM50501;C#CC(O)C(=C)OC=C;JEAZSDKJSAMHMU-UHFFFAOYSA-N;124.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50502;MM50502;C#CC(O)C(=C)OC=O;UUHJAHSMIRPUHD-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50503;MM50503;C#CC(O)C(=O)OC=C;LJUJAOHYKOWFNB-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50504;MM50504;C#CC(O)C(=O)ON=C;IQCIZJZXVPKWJG-UHFFFAOYSA-N;127.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50505;MM50505;N#CCCN(O)C=NC=N;KEEPUXDIMHFNHS-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50506;MM50506;CCN(C)C=NNC;BPUODBUBRZLDET-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50507;MM50507;C=C(CCF)C(=O)CO;CZFJBVZRSBPGOZ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50508;MM50508;C=C(CC)C(=O)CCO;CNXWPLKRDFKBAR-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50509;MM50509;C=C(CO)C(=O)CCF;DJQUSKYAQZGFAG-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50510;MM50510;C=C(CF)C(=O)CCO;ZGONHVGRWGFPKI-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50511;MM50511;CCCC(=O)C(=O)CO;VBRKIHDQHFBNJI-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50512;MM50512;C=NN(C)C(=NOC)NN;GUGVXXQEKHXSLN-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50513;MM50513;CC(CNC=O)NCC#N;IQXOQWJJJJUBSL-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50514;MM50514;C=NN(C)C=NN=CNN;QXHNRYFXSBVIBF-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50515;MM50515;C=CC(=NN)NOC=O;AQXUXHBLLGJNMA-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50516;MM50516;CCNN=C(C=O)C=CN;HWOWYSWIAIFIKQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50517;MM50517;CCCC(=O)C(=O)NC;WTZQKHCMWJFWHU-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50518;MM50518;C=COCON=CC=NN;NSBDGBSCHDQSOB-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50519;MM50519;C=C(CCO)C(=O)OC;NHRMHEKXRUSPAE-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50520;MM50520;C=C(OC)C(=O)CCF;SSWSCPXNTWVRPP-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50521;MM50521;C=C(COC)C(=O)OC;LHXULFYZCPMBMS-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50522;MM50522;C=C(OC)C(=O)COC;YCIDRIXIAZFEEJ-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50523;MM50523;COCC(=O)C(=O)OC;ZFHKOSKYJHKEAP-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50524;MM50524;CON=CC(N)=C(F)C=O;VWJZGAVLNOMFKR-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50525;MM50525;C=C(CO)C(=O)NCC;FCENBHOMHNMMDS-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50526;MM50526;CCNC(=O)C(=O)CF;MLCLZMRBDSKZMV-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50527;MM50527;CN(C=NN)CCCF;OJSWAZDBOKIQFG-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50528;MM50528;COCOC(C=CN)=NO;FRRAEHFWFIZPLX-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50529;MM50529;CCC(=O)NN=C(C)N;VUEOBXCKNDENHL-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50530;MM50530;CCNC(=O)C(=O)NC;ZGERXBHBCCWHHO-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50531;MM50531;CCCC(C=C(N)N)=NO;YUJXYXBUEYPRDH-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50532;MM50532;C=CNC(=N)N(C=N)N=C;OYACJIQIEMJQCZ-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50533;MM50533;CN=C(C=NN)N(C)C;OBJPYTSNZOBGRV-UHFFFAOYSA-N;128.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50534;MM50534;C=CN=C(C=CN)NC=N;PIFYQSVNDZSYDU-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50535;MM50535;CON=C(N)C(=O)NN;XDVSHCDWOGYALP-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50536;MM50536;C=C(OC)C(=O)NCC;JISQSWWBEBXDQG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50537;MM50537;CCNC(=O)C(=O)OC;XYUNANKVDCMWRB-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50538;MM50538;CN=CNC(C=NN)=CN;IYHMGXJFSWCCLB-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50539;MM50539;C=C(CCN(C)C)C(C)=O;LXJHSFITSIPVQD-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50540;MM50540;COC(C#N)=C(C)NC=N;DOGQFOQUXUNNLF-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50541;MM50541;C=C(OCC)C(=O)NO;RCHZCDLLEFNFGC-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50542;MM50542;CCOC(=O)C(=O)NC;GVQZKKPQRSZDPW-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50543;MM50543;CCOC(=O)C(=O)OC;WRHHVVPVKLLPFT-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50544;MM50544;C=CCC(=C)C(=O)CO;WJPQQJOORSDENW-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50545;MM50545;C=CCC(=O)C(=C)CO;OXFSOYYPNBWHKK-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50546;MM50546;C=CCC(=O)C(=O)CO;RKQMGZSYPWRRKE-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15522;MM15522;O=CCC(=O)C(=O)CF;XLLBRIZXJVBPNU-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50547;MM50547;C=C(CC#N)C(=O)NC;KRDYZDFVZFXRAA-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50548;MM50548;C=CCC(=C)C(=O)NO;UIOVSDKYWSQFEK-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50549;MM50549;C=C(C=O)NC(=NO)NC;MWQFFOQZZZWXKB-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50550;MM50550;CNC(=O)C(=O)CC=O;POHYESGKSRNOCX-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50551;MM50551;CNC(=O)C(=O)CC#N;FZDINHCZQXQLKM-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50552;MM50552;N#CCC(=O)C(=O)NO;APHVQUAPKSWTLO-UHFFFAOYSA-N;128.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50553;MM50553;C=C(CC=O)C(=O)OC;AZRNFNDYLYCXFU-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15797;MM15797;C=C(OC)C(=O)CC=O;OWFLPSVZOLBJGP-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-oxopent-4-enoate";MM02254;C=CCC(=O)C(=O)OC;JVQPVSUOFSYJPT-UHFFFAOYSA-N;128.13;0.3;11051664;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 3-cyano-2-oxopropanoate";MM02244;COC(=O)C(=O)CC#N;UQVXHUZMQFLSME-UHFFFAOYSA-N;127.1;-0.36;84647932;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50554;MM50554;C#CC(=NN)N(O)C=NC;HURFZRICSLUDKV-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50555;MM50555;C=C(CC)C(=O)NC=O;UGHNRPUXCOXBED-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50556;MM50556;O=CNC(=O)C(=O)CO;XCQXDYKYJPREMC-UHFFFAOYSA-N;131.09;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50557;MM50557;CC=C(CO)N(O)C=NN;ULSPWRGTPBZHOO-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50558;MM50558;C=NNC(=O)C(=C)CO;WIWHEGXZLPLXLR-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50559;MM50559;C=NNC(=O)C(=O)CC;HMZDPKNQWXRDBX-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50560;MM50560;C=NNC(=O)C(=O)CO;FRKXXSFDFXBKSD-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50561;MM50561;CC=C(C=NNC=N)CN;RGGWAJHXLZLLRU-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50562;MM50562;C=C(NC=O)C(=O)NC;ZUSQNBVUFJJAEJ-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50563;MM50563;NCC#CC(N)C=C(F)F;DBCKFNGLPDAARX-UHFFFAOYSA-N;146.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50564;MM50564;C#CC(NN=C)C(N)CC;MXIXIJILABWCEI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50565;MM50565;CC(C#CC(=N)NN)CF;RHLGYXLJOOJHPX-UHFFFAOYSA-N;143.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50566;MM50566;C=CN=C(CO)NN=C;YRCNYCQHSWFLGK-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50567;MM50567;C#CC(=O)OC(=N)N(C)O;XPDNJEZBZMPDGD-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50568;MM50568;C=COCCN(O)C=NN;NJBVAMPMRYIVHJ-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50569;MM50569;CCNC(C)C#CC=NO;VGTUWMJQJDDZBJ-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50570;MM50570;N=C(NC=O)C(=O)NO;IWOWJZHISAHCLT-UHFFFAOYSA-N;131.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50571;MM50571;N=CNC(=O)C(N)=NO;FCBWXNMFBGBGHU-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50572;MM50572;C=CNC(=O)C(=O)NC;MAXWLDKWQZKRKY-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50573;MM50573;CNC(C#N)CC#CC=O;DIRIMKLMWWHEKP-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50574;MM50574;CC(C)NCC#CC=NO;PBKSKAXFUDSVOR-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50575;MM50575;CC#CC(=O)NC(=N)NC;LEFHBLQXRQGHKG-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50576;MM50576;C#CC(O)(C#CC)C(C)N;JJAYCPHCJNKAAS-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50577;MM50577;C=NN=C(N)C(=O)NO;QIEVCAOUQGBCRD-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50578;MM50578;CC(C#N)C(=N)NC=N;MGFQBCUEYOOZQU-UHFFFAOYSA-N;124.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50579;MM50579;C=CNC(C=NOC)=NN;PSONKJAINLIYQV-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50580;MM50580;C=NNC(=O)C(N)=NO;NHQPXUNVLPWIPW-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50581;MM50581;C=C(OC)C(=N)NC=O;YKPKKWVEBVIPTI-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50582;MM50582;COC(=O)C(=N)NC=O;YCINMENZXZGIDI-UHFFFAOYSA-N;130.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50583;MM50583;C=C(OC)C(=O)NC=O;KTVLTLQVBCDLNL-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50584;MM50584;COC(=O)C(=O)NC=O;QFCLCBPROHHOKJ-UHFFFAOYSA-N;131.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50585;MM50585;C=NNC(=O)C(=C)OC;KBRJXTOZSYUDGA-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50586;MM50586;C=COC(=C)C(=O)CO;JXDWGDBXJPPURN-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50587;MM50587;C=COC(=O)C(=C)CO;ITAOVTVAQOOIGC-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50588;MM50588;C=COC(=C)C(=O)NC;FGURLAPLHANMLG-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50589;MM50589;C=C(OC=O)C(=O)NC;CZZVIUTWWGQQGF-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50590;MM50590;C#CC(=N)NN=C(C)C#N;KOUXIXHDIGFXKL-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50591;MM50591;C=COC(=O)C(N)=NO;FHHUFBQANFZANQ-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50592;MM50592;C=COC(=O)C(=O)NC;YMMRNWCIKRJBPG-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50593;MM50593;C=COC(=O)C(=O)NN;ZATHXNSMUSETPB-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50594;MM50594;C=COC(C=CN)=NO;HCKRHIIQHZGPTA-UHFFFAOYSA-N;128.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50595;MM50595;C=NOC(=O)C(N)=NO;WRBHMUIIMXOPNM-UHFFFAOYSA-N;131.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50596;MM50596;C=NOC(=O)C(=O)NN;YCMWJIKEZIUEFD-UHFFFAOYSA-N;131.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50597;MM50597;C#CCC(=C)C(=O)CO;RCVDEYLUWHAFIZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50598;MM50598;C#CCC(=O)C(=C)CO;WTJZSXVVBWWMQY-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50599;MM50599;C#CCC(=O)C(=O)NC;HLPNTUOPWAYHHY-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-oxopent-4-ynoate";MM02245;C#CCC(=O)C(=O)OC;INVKNUBBGYVHRA-UHFFFAOYSA-N;126.11;-0.25;87548639;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50600;MM50600;N#CC(O)CCNC=NO;OFSDFTXDHRIVEN-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50601;MM50601;C=CC(=O)C(=C)CCO;LKTQXLDUEXWNPY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50602;MM50602;C=C(CCO)C(=O)C=O;AUMGTZPDEFNUMP-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50603;MM50603;C=CC(=C)C(=O)CCO;UZZAHXGBIWCPIV-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50604;MM50604;C=CC(=O)C(=O)CCF;MTHGXEAQICDTGC-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50605;MM50605;N#CC(=O)C(=O)CCO;XZCYDMHJRLAIIX-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50606;MM50606;CN=C(CO)NN=CC#N;MHKSSOHWKZATTJ-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50607;MM50607;C=C(COC)C(=O)C=O;ASBDHJYEBZLEOW-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50608;MM50608;C=C(COC)C(=O)C#N;CIYXWIUMLUTDFP-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50609;MM50609;C=C(C=O)C(=O)COC;BEPPTUXNWIJLLG-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50610;MM50610;C=C(C#N)C(=O)COC;CDTIOEPIFQZYCR-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50611;MM50611;C=CC(=O)C(=O)COC;BYHQAFNDQCWWJK-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50612;MM50612;COCC(=O)C(=O)C#N;CVMFVUBGMWRZHA-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50613;MM50613;CNN=C(OC)N(O)C=N;PFMITOWELIEQMF-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50614;MM50614;CC(O)(CO)CNCC#N;FCRWZDJQBUPGJE-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50615;MM50615;C=C(C=O)C(=O)NCC;QXFJOOZKDTYEIF-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50616;MM50616;CCNC(=O)C(=O)C=O;KNMHXNXCKLZIMK-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50617;MM50617;CCNC(=O)C(=O)C#N;XFOLZFVVDOMMHO-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50618;MM50618;CCNC(=O)ON=CNC;KWVHIGVEDFZNKZ-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50619;MM50619;C=NNC(CO)=NCC;ZVBVQQSCJHUMRQ-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50620;MM50620;CC(=NN=CNN)N(C)O;JYOAEYWDOZKBRQ-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50621;MM50621;CN(O)C=NN=CNN;VVUCVLDUYKWMHG-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50622;MM50622;C=C(OCC)C(=O)C=O;AXDOAQQWQTWZEL-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50623;MM50623;CCOC(=O)C(=O)C=O;NOILYMFGMYURKI-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50624;MM50624;C=C(C=O)C(=C)CC#N;PBQLYOFSYOIJHA-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02383;MM02383;C=C(CC=O)C(=O)C#N;VKDMSMRHCCUKOO-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02508;MM02508;C=CC(=C)C(=O)CC#N;ROJMHWSFPCMCPV-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02351;MM02351;C=CCC(=O)C(=C)C#N;WDJNAVLIAYLYFJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02084;MM02084;C=C(C#N)C(=O)CC=O;FVBFBCZAHBVAKG-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02464;MM02464;C=C(C=O)C(=O)CC#N;AVLDCZCWZXUGDZ-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methylidene-3-oxopentanedinitrile;MM02304;C=C(C#N)C(=O)CC#N;LBCHSGSEBBRIIU-UHFFFAOYSA-N;120.11;0.55;18507565;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15514;MM15514;N#CC(=O)C(=O)CC=O;FIGYDBDPPISANF-UHFFFAOYSA-N;125.08;-0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15988;MM15988;N#CCC(=O)C(=O)C#N;XMOJPSAHHJEKDZ-UHFFFAOYSA-N;122.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50625;MM50625;C=C(C=O)C(=C)NC=O;FIRLZAXETNWAIC-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50626;MM50626;C=C(C#N)C(=C)NC=O;ULVREASVANYNRG-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50627;MM50627;CN=C(NN=CNO)OC;FKGGQFUBMZGNJL-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50628;MM50628;C=C(NC=O)C(=O)C#N;FHIUPTHNZKKLGT-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50629;MM50629;C=C(C#N)C(=N)NC=O;QTBGVYJHCXNSMR-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50630;MM50630;CCC(C)(N)C=NNC=O;VOQRQRCVDPPCQY-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50631;MM50631;C=CN(C=N)C(N)=O;FSPUECLFIVGKOK-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50632;MM50632;C=CNC(=O)C(=C)C=O;ZNDHXEBCFKLDRX-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50633;MM50633;C=C(C=O)C(=O)NC=O;HZPDIWRTIUIZMA-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50634;MM50634;C=C(C#N)C(=O)NC=O;KOEKPLUMPGIKKE-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50635;MM50635;C=CNC(=O)C(=O)C#N;SNAPOSQQOWQFIO-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50636;MM50636;N#CCC(=N)NC(=N)C=O;MNPOIJGYOYKMKB-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50637;MM50637;CNC(=NN=CNN)OC;HJLVHBZXKMXKBE-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50638;MM50638;C=NNC(=O)C(=C)C#N;NBCTXGRDBQMJSE-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50639;MM50639;C=CC(=O)C(=O)NN=C;IVSJLZMFFHWRRW-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50640;MM50640;C=NNC(=O)C(=O)C#N;NPVGZSZASSPPTL-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50641;MM50641;C=COC(=C)C(=O)C=O;LQPXYDGPDAKBBI-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50642;MM50642;C=C(OC=O)C(=O)C=O;DIGFOOAZTUKLBG-UHFFFAOYSA-N;128.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50643;MM50643;C=COC(=O)C(=O)C=O;IJLZKFDAPSEETC-UHFFFAOYSA-N;128.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50644;MM50644;C=COC(=O)C(=O)C#N;LVROHWNBDPWOOF-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15951;MM15951;C#CCC(=O)C(=O)C=O;RMFYFAAIRPQGKS-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50645;MM50645;C#CC(=O)C(=C)CCO;FBKLTCDAQJTBNG-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50646;MM50646;C#CC(=C)C(=O)CCO;RJLJLHBEAMWQKR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50647;MM50647;C#CC(=O)C(=O)CCO;IIEBDTUZLAVECU-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50648;MM50648;C#CC(C)(O)C(N)C=C;ASNVLANASJCUJR-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50649;MM50649;C#CC(=O)C(=C)COC;YBQCWGGAFWGTDQ-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50650;MM50650;C#CC(=O)C(=O)NCC;LXJXVYXDXKJKBT-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50651;MM50651;CNN=CN(N)C(=N)CF;YRJAALMUIAEFOI-UHFFFAOYSA-N;147.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50652;MM50652;C#CC(=NN=COC)NN;XTGPSISMFURCFC-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50653;MM50653;C#CC(=C)C(=O)NOC;FRNOMQZJZRJEAU-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50654;MM50654;C#CC(=O)C(=C)CC#N;JVMPQDHCOGRXAF-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15779;MM15779;C#CC(=C)C(=O)CC#N;NKJZGJWOFOFENB-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15520;MM15520;C#CC(=O)C(=O)CC=O;UFVMMIYCWJYHLM-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15555;MM15555;C#CC(=O)C(=O)CC#N;PEAXMYAQASRJJU-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50655;MM50655;C#CC(=C)C(=C)NC=O;RKXBXVXHBCUNFC-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50656;MM50656;C#CC(=NN=CC)NN;NWHWEUCDPXONGE-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50657;MM50657;C#CC(=O)C(=C)NC=O;KUOCLVYWORDWIV-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50658;MM50658;C#CC(=C)C(=N)NC=O;YRMFVEAYEQGSNW-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50659;MM50659;C#CC(=NN=C(C)C)NN;XBUBTSDVXFUWAI-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50660;MM50660;C=NNC(=N)COC=NN;HPSJWWMSJSMAHL-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50661;MM50661;C#CC(=O)C(=O)NC=C;RHHJXOLUGIRZST-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50662;MM50662;C#CC(=O)C(=O)NC=O;VZMXKXVJANVORZ-UHFFFAOYSA-N;125.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50663;MM50663;C=CC(O)C#CC(C)(C)N;RTWYUCCTWBJAOO-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50664;MM50664;CNCC(O)C(C)C#N;MCFIDBIXPWJFER-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50665;MM50665;C#CC(=C)C(=O)NN=C;MFGQPKFVDZWMAL-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50666;MM50666;C#CC(=O)C(=O)NN=C;GSDLWTAZLDRMLR-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50667;MM50667;C#CC(=O)C(=O)OC=C;RLATUUZKZQKZOM-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50668;MM50668;N=C(CO)NC(=N)NO;WFOSDDMAEHKQJH-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hepta-1,6-diyne-3,4-dione;MM02136;C#CCC(=O)C(=O)C#C;NLLDBFALJBYOMT-UHFFFAOYSA-N;120.11;-0.22;87548050;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50669;MM50669;CC(C)(O)C(C)(N)CF;XUIJAETUPVSXET-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50670;MM50670;CC(C=CF)C(O)CO;TVOVDSAKXJLIAY-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50671;MM50671;CCC(N)(CF)C(C)O;NPWTVQJSHVHVLC-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50672;MM50672;CNCC#CC(=CF)CO;PHNXEXNHAGJOHK-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50673;MM50673;N#CCCNC(=N)C#N;MJFISBILSOYGGY-UHFFFAOYSA-N;122.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50674;MM50674;CN(N)C(=NNC=O)NN;RRGGFABEIGGCNW-UHFFFAOYSA-N;146.15;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50675;MM50675;C=C(C)N(C)C(=NN)NO;JIFQGOXXZLZJOT-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50676;MM50676;C=C(CC(=N)NO)OC;SPKFEARFOZLSCF-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50677;MM50677;C#CC(C)NC(C)C(C)O;OSTMOMWORZYTDI-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50678;MM50678;C#CC#CC(=N)NC=NO;RXTFQRGYAVFCFR-UHFFFAOYSA-N;135.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01879;MM01879;CCC(F)C(C)C=NO;UMIRFVXETIIDIB-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50679;MM50679;NN(C=NO)C=NO;KUSWNSXKWBRQRJ-UHFFFAOYSA-N;118.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50680;MM50680;CCC(O)C(F)C=NO;RCWQOUBALRIQEE-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50681;MM50681;CCON=CN(N)C=NO;LXNVWNZLIQXXPL-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50682;MM50682;CN=C(C=CCCO)NO;COTFDLNIDJEKEC-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50683;MM50683;C=NNC(=NO)NN;WMDMCVGIULJKEH-UHFFFAOYSA-N;117.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50684;MM50684;C=C(CC=O)C(=NC)NO;LIECMWJZCMSKLQ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50685;MM50685;CC=NNC(=NO)NN;QQKFAMHKHSTROK-UHFFFAOYSA-N;131.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50686;MM50686;CCC(C)N(O)C=NO;YPRMZSDGABGRHB-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50687;MM50687;CC=CC(C)C(O)C=O;GEJNRNJYLVGLOX-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50688;MM50688;CC=NN(C)C(=NO)NN;QAEHLUINRGDPEG-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50689;MM50689;CC(C#N)C(O)C=CF;QJNNUZLHACAKQD-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50690;MM50690;CC=CC(O)C(O)C#N;IXGMRISJULPNIJ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50691;MM50691;CC(C#N)C(C)C=NO;LOELUIRBEMHYEO-UHFFFAOYSA-N;126.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50692;MM50692;N#CC(F)C(O)C=NO;MLVUZRRRRKGKLX-UHFFFAOYSA-N;132.09;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50693;MM50693;CC(C#N)C(F)C=NO;SVKYYIUBKRPGST-UHFFFAOYSA-N;130.12;0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50694;MM50694;CC(C#N)N(C)C=NO;PQYJIPKKGTWWHV-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50695;MM50695;CC(C#N)N(O)C=NO;MGFWTWQGDWOYBA-UHFFFAOYSA-N;129.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50696;MM50696;CON=C(C)N(O)C=N;ZKBBHJMGPJMZCR-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50697;MM50697;CN(O)C(CO)=NC=N;UGTHRDALFXJADO-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50698;MM50698;C#CC(O)C(C)C=NO;LTAJZBJRNUPSIP-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50699;MM50699;CC(CO)=NN=CN(C)C;MFZGMSWMNCHVJJ-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50700;MM50700;C=CCN(O)C=NNC;NNNLQZRNKIRDMT-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50701;MM50701;C#CC(O)C(F)C=NO;YAIROKVAUQSRIG-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50702;MM50702;CN(N=CNO)C(=N)C#N;PPDXLBARPZXFAO-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50703;MM50703;COC=C(C=O)N=CNO;OJRMXKKTIINEIT-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50704;MM50704;CN(CC#N)CCO;JGFFNNSNCNEFHR-UHFFFAOYSA-N;114.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50705;MM50705;C#CC(C)N(O)C=NO;LOWPUCACYQXZJI-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50706;MM50706;C=C(CO)C(F)C=NO;VKDDEQNFGRDIQL-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50707;MM50707;C=NNC(=N)NC(=N)C#N;URMOKPFZTXTLNA-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50708;MM50708;CC(C=CF)C(=O)NO;AVCBWUFCMWWSBN-UHFFFAOYSA-N;133.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50709;MM50709;CNN=CCN(C)CC=O;UXDKBELAJXVQDG-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50710;MM50710;CC(=CF)CNC(C)CO;UHFDGOCVKUPMRS-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50711;MM50711;CNN=CC(C=O)=NNC;SSXCHDIUQRURIO-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50712;MM50712;CCN(CCO)CCO;AKNUHUCEWALCOI-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50713;MM50713;C#CC(=NN)N(C)C=NN;GETCNGWZCVPFII-UHFFFAOYSA-N;139.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50714;MM50714;CN(N)C=NNC(=N)NN;MHJWJMLPCDOUNF-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50715;MM50715;CC=C(N=CNO)NC=N;MFLVKYXCSIZURF-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50716;MM50716;CC=C(CF)CNCCO;VKRNEUQIRHVLRS-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50717;MM50717;C=NN=C(C#CC)NN;JXTCAHKJYUQKRZ-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50718;MM50718;CC(=CCO)C(N)C=CF;KSRVYKJSBKZRAB-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50719;MM50719;CCN=CC(=CNO)OC;SAWYGKSGPWJVAO-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50720;MM50720;CON=CNC(C)=CC=O;SFYFXBLXDXWXBT-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50721;MM50721;C=C(CO)N(O)C=NO;SJIXCTOJRRYASO-UHFFFAOYSA-N;132.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50722;MM50722;N#CC=C(N)N=C(N)C=O;NZCYOTPLOXZXTG-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50723;MM50723;CNC=NN=CCCOC;LEOUBNXVTZIJHA-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50724;MM50724;C=NNC(=N)N(C=O)OC;NSALOGHPTGLKAL-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50725;MM50725;CNC(=O)N(C)C=CF;FTEKRLJDBUYMID-UHFFFAOYSA-N;132.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50726;MM50726;C#CC(=NO)C(=N)NO;JNYAOKLJTPNVPQ-UHFFFAOYSA-N;127.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50727;MM50727;CC=CN(C)C(=O)NO;OILHCRYYTWHWPW-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50728;MM50728;CN(C=CF)C(=O)NO;ZKJJBVKKNGXYCZ-UHFFFAOYSA-N;134.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50729;MM50729;C=NN(C)C(=NO)NN;RKAWSSUBSASECZ-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50730;MM50730;CCC=NNC(=NO)NN;FERFGDWMDMSTCV-UHFFFAOYSA-N;145.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50731;MM50731;CCON=C(C)N(O)C=N;MQUZSVDDTCJWTO-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50732;MM50732;CCON=CC(=NC)NO;JUKGQHWESWGVKM-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50733;MM50733;CC=CN(O)C(=O)NC;YWBWTQLRIRKXOX-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50734;MM50734;CNC(=O)N(O)C=CF;ONADADRKIJUSNY-UHFFFAOYSA-N;134.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50735;MM50735;CC=CN(O)C(=O)NN;MFYXFGXDTFJIGV-UHFFFAOYSA-N;131.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50736;MM50736;CC=CN(O)C(=O)NO;NJXGJXVIZFPADR-UHFFFAOYSA-N;132.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50737;MM50737;C=NNC=NC(C)=CCO;DVDJVMGHKFVMKK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50738;MM50738;CC(C)(CCO)N=CNN;SANNWYPTFRGCDB-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50739;MM50739;CNN=COC(=NN)NN;ZFAVRQPIZWUIJC-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50740;MM50740;C=COC=NNC(=N)NC;NWBGOZQITSGUER-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50741;MM50741;CNC(=O)N(C)C=NO;YYRRRMNGZCULPO-UHFFFAOYSA-N;131.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50742;MM50742;CC(C#CC(C)N)=CCO;ZWAWBIRKKRANNB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50743;MM50743;NN=COC(=NN)NN;DTFZINWMOZXIAX-UHFFFAOYSA-N;132.13;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50744;MM50744;NN=CN=CN(N)C=NN;GNXNCGWTINZQCZ-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50745;MM50745;CNC(=O)N(O)C=NN;HWTVCZJQTGWIQC-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50746;MM50746;CNC(=O)N(O)C=NO;MDMVSEVIWIBKPH-UHFFFAOYSA-N;133.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50747;MM50747;CC=CN(O)C(=O)OC;VKHXNOJADFIKCT-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50748;MM50748;C=C(OC)N(C)C=NO;ZBNNTVOXXMXKSG-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50749;MM50749;CN(C)CC(C)(C)NC=O;CCRDHLCRHXVDIL-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50750;MM50750;C=C(C)CC(NC)C(N)=O;IJLCWGCCTBXSHT-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50751;MM50751;C=C(OC)N(O)C=NO;SRWXWXPAKAADDL-UHFFFAOYSA-N;132.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50752;MM50752;CC#CC(=N)NCC=O;RDDCTZKFSTXETR-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50753;MM50753;C=CCN(C=NN)OC;VBULCFOZMZZDMV-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50754;MM50754;CON=CON(C)C=NN;AQQDVFDGDNSSKR-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50755;MM50755;CNN=CN(OC)C(=N)N;CREXIFSOKGSTHG-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50756;MM50756;C=CC(=O)C(O)C=CF;GOLTVAHQJIXDEL-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50757;MM50757;CC=CC(O)C(=O)C=O;HOVAZQWYIIFTKO-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50758;MM50758;O=CC(=O)C(O)C=CF;ZGDQPNYREWKJOB-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50759;MM50759;N#CC(=O)C(O)C=CF;LPCZWWYYSAHZMG-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50760;MM50760;C=C(C=O)C(F)C=NO;IBVOPRGFBDYMMT-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16539;MM16539;N#CC(=O)C(F)C=NO;XRMFRANCTYHCLG-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50761;MM50761;CC=CN(C)C(=O)C#N;MRLRBNXKUPAIQE-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50762;MM50762;CN(C=CF)C(=O)C=O;OAULRUIUMZFZSC-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50763;MM50763;CN(C)C=NN=CC=NN;QJOOJOYMTXWBFS-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50764;MM50764;CC=CN(O)C(=O)C=O;KKUYYNMBDGVQEU-UHFFFAOYSA-N;129.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50765;MM50765;CC=CN(O)C(=O)C#N;ODYHJSRSAUNKQD-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50766;MM50766;C=C(C=O)N(C)C=NO;QBMOACKGDMCKEJ-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50767;MM50767;C=C(C#N)N(C)C=NO;DSFXSHNMYZPZDF-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50768;MM50768;CN(C=NO)C(=N)C=O;MDJNGSYDXLGICN-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50769;MM50769;CN(C=NO)C(=N)C#N;KJNGTZLQFYGRIQ-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50770;MM50770;C#CC(C#CCNC)C=O;OQGNBGVJKLYQHH-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50771;MM50771;N=CNC=C(F)C=O;BEEOTGGCQNNYKP-UHFFFAOYSA-N;116.1;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50772;MM50772;C=CC(=O)N(N)C=NO;RIAZHPIKGRVIBX-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50773;MM50773;C=CC(=C)N(O)C=NO;ICUMCVUFAPVEOM-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50774;MM50774;C#CC(C#C)C(C#N)NC;MMLOJPXEOXXOKB-UHFFFAOYSA-N;132.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50775;MM50775;CNC(=N)C(=NN)C(C)F;UHBRUEWSGUPXCI-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50776;MM50776;C=C(C=O)N(O)C=NO;IMIYPGQRQNDJAO-UHFFFAOYSA-N;130.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50777;MM50777;C=C(C#N)N(O)C=NO;IPAMOJPNBHULFW-UHFFFAOYSA-N;127.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50778;MM50778;CCC(=O)C#CC(=N)N;BOVMBTHOJVIRRP-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50779;MM50779;C=NNC=NCCOCC;VWNGKCJIVVOQAN-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50780;MM50780;C=COC(N)=C(C)C=NO;RYPWGSSCJHSUOW-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50781;MM50781;C#CC(CN)=C(C)C=NO;AJYBTKCAPSQTNS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50782;MM50782;C=CC(=O)N(O)C=NN;VTHORPZHFXCGPW-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50783;MM50783;C#CC(=O)C(C)C=NO;VSZNBQLZZIGSOP-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50784;MM50784;C#CC(=O)C(F)C=NO;FEDSEAPDSMJWQP-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50785;MM50785;C#CC(=O)N(C)C=CF;VSAZZOZTAVOAKR-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50786;MM50786;CCCC(C=NO)=C(N)N;KMQLZTNPYYCTIF-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50787;MM50787;CNC(C)(C)C#CC=NO;JHCKWJVRLFMDEN-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50788;MM50788;C#CC(=O)N(O)C=CC;UYLINUPMHFSUNV-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50789;MM50789;C=C(CC(=NO)NC)OC;FAWLJNYOHCHJGB-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50790;MM50790;C=NNC(=O)NC(=N)N;BFWOFUZYTLBZBS-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50791;MM50791;C#CC(=O)N(C)C=NO;LXPCPPSTVUXHFJ-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50792;MM50792;C=CC(=O)NC(=N)C(=C)C;JICMHOBAXYLVSX-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50793;MM50793;CCN(O)C(=N)OC=O;WPEOXCYGTUFUBI-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50794;MM50794;C#CC(=O)N(N)C=NO;BBDNUOWAEQQRDQ-UHFFFAOYSA-N;127.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50795;MM50795;C=NNC=NCCO;RCEIOILLPNYWJA-UHFFFAOYSA-N;115.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50796;MM50796;C#CC(=C)N(O)C=NO;GKHHRDJYPXNZDM-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50797;MM50797;CCOC(=CF)N=CNO;PJDMOLFEMDWZSY-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50798;MM50798;C#CC(=O)N(O)C=NC;QQIPUCHSZVKHPC-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50799;MM50799;CC(CF)C(=O)C=CN;KGPZYUSHXTUGDP-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50800;MM50800;C#CC(O)(C#C)C(C)N;MODSNRXAEYHLPN-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50801;MM50801;N#CCN=CNC(=N)NO;GTBBMAADBUNTME-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50802;MM50802;C#CC(=O)N=C(NN)OC;LRYFOVKUKBVPLM-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50803;MM50803;CC(C)(N)C(=CF)NC=O;VJJLYHFDPPEYIM-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50804;MM50804;CN(N)C(=N)N(O)C=N;JKAWCGCTVBGPKW-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50805;MM50805;CCN(O)C(=O)C=CN;RKDLIYXVIQZXQO-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50806;MM50806;COC(=NC(C)=O)NN;AIDQUUUIGMNXAL-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50807;MM50807;C=CC(C)C(=O)C=CF;NWYQDRUUWPYWSK-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50808;MM50808;CC(C=O)C(=O)C=CN;NZFMVSBDJRWIHZ-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50809;MM50809;CC(C#N)C(=O)C=CN;QUPRXIKVGYYLCT-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02855;MM02855;CC(C#N)C(=O)C=CF;QBAQKRXWISJJDQ-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50810;MM50810;C=CC(O)C(=O)C=CC;OWMCVSWIXGNOLS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50811;MM50811;C=CC(O)C(=O)C=CF;DUJSBKSCDMJLSN-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50812;MM50812;CC=CC(=O)C(O)C#N;VHCHZCOZHMXIAJ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50813;MM50813;NC=CC(=O)C(F)C=O;LDUKNFQJCMOOBZ-UHFFFAOYSA-N;131.11;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50814;MM50814;N#CC(F)C(=O)C=CN;HOKYAPGRQUSHIH-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50815;MM50815;CC(C)OC(=NC=O)NN;JPHRJAQFZXTAEF-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50816;MM50816;O=CC(F)C(=O)C=NO;DCCBDUHXVLIYHH-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50817;MM50817;N#CC(F)C(=O)C=NO;VIOUTXTYXNIOSC-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50818;MM50818;C#CC(C)(N)C(C)(C)O;CTPSYFDNJIQKSF-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50819;MM50819;C=CN(N)C(CO)=NC;SMSHSQATBGMWND-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50820;MM50820;CNC(C#N)C=CCC=O;RQFGGTGUAYBBPZ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50821;MM50821;CC=CC(=N)N(O)C=O;SACVWHAHXOXLEJ-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50822;MM50822;C=CN(C)C(=O)C=CN;NHOZFOKYFGWBOV-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50823;MM50823;C#CC(N)(CO)C(C)C;MZPMLWBLRQAJNE-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50824;MM50824;CC=CC(=O)N(C)C=O;ZJNISSYJJUZVDY-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50825;MM50825;N=C(NO)NC(=N)NO;XUQQSQJEJMVBBA-UHFFFAOYSA-N;133.11;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50826;MM50826;C=CN(O)C(=O)C=CN;HOJLBKRTYSLBSI-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50827;MM50827;CC=CC(=O)N(O)C=N;KUTADIQRLSWHEN-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50828;MM50828;N=CN(O)C(=O)C=CN;ZMXGEPMQPLSESE-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50829;MM50829;C=C(C=NO)N(N)C=O;BKYFUKCJAGAYKI-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50830;MM50830;N#CCNCCOCC=O;PNLXMZVGWQHLNI-UHFFFAOYSA-N;142.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50831;MM50831;C=C(C=NN)N(O)C=O;SLGGHRPAWDYFMY-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50832;MM50832;CN(C=O)C(=N)C=NO;SIFHKVFPILHJGZ-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50833;MM50833;N#CCNCC=CCC=O;WDOBGZSISPCKLM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50834;MM50834;CC(O)C(=CF)NC=N;DZEGEYHDXJVUAC-UHFFFAOYSA-N;132.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50835;MM50835;C=CC(N)(C=CCF)CO;KZOLJNIWPDETOM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50836;MM50836;C=NN=COC(=NN)NN;HPXULYPEHWFYOF-UHFFFAOYSA-N;144.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50837;MM50837;CNC(=NN)N(C)O;MUSFZBSDAAEOGZ-UHFFFAOYSA-N;118.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50838;MM50838;C=CN(N)C(=O)C=NO;PPNKMDLVLWJQNR-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50839;MM50839;C=CN(O)C(=O)C=NN;XIMALVCPCLTCHY-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50840;MM50840;CCCNC(=NN)N(C)O;VWRUFKJQDPWXEK-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50841;MM50841;C#CC(O)C(=O)C=CF;AJCGWHMVYBNOQJ-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50842;MM50842;C#CC(F)C(=O)C=CN;IMLNDDJNAWFRAE-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50843;MM50843;C#CCN=C(NO)N(C)N;NEQBVFJIPFFUGT-UHFFFAOYSA-N;142.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50844;MM50844;C#CC(O)C(=C)C=NO;HTNLBIRKRWHFCS-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50845;MM50845;C#CC(F)C(=O)C=NO;NVGIWZYXOICXGP-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50846;MM50846;C=C(C=CF)C(=O)CO;RNIGPWZGNJSOIX-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50847;MM50847;CCC(=O)C(=O)C=CN;RIEUAOQACHFWRR-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50848;MM50848;O=C(C=CF)C(=O)CO;HXJBJJDWDVVWLQ-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50849;MM50849;C=C(CO)C(=O)C=NO;SGLBGQANJIWGHO-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50850;MM50850;C=C(CF)C(=O)C=NO;RENSZPBDOFSTIF-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50851;MM50851;C#CC(=O)C(=N)NC=C;AETSTQYZCGNFOI-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50852;MM50852;CC=CC(=O)C(=O)NC;ZZONWAJNKHCNLA-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50853;MM50853;CC=CC(=O)C(=O)NO;FQCWNKWKGZVTMU-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50854;MM50854;CN=C(N)C(=O)C=NO;OKCJYIQAXQNGLG-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50855;MM50855;C=C(OC)C(=O)C=CN;MLXHQWSOZRXIAU-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50856;MM50856;C=C(OC)C(=O)C=NO;XYXVSRVTNMAYAH-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50857;MM50857;C=C(C#N)C(=O)C=CN;SPDPPFFXRGZMAY-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50858;MM50858;NC=CC(=O)C(=O)C=O;BNELOOXITXPPJW-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50859;MM50859;N#CC(=O)C(=O)C=CN;WNVBLCCZPCZRFA-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50860;MM50860;O=CC(=O)C(=O)C=NO;LIHSZWYKMADUFO-UHFFFAOYSA-N;129.07;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50861;MM50861;N#CC(=O)C(=O)C=NO;XJWBRKSXVGXAKA-UHFFFAOYSA-N;126.07;-0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50862;MM50862;C#CC(=C)C(=O)C=CN;VLECTJVKEPQTCM-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50863;MM50863;C#CC(=O)C(=C)C=NO;CUXRCFNDSIAZPZ-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50864;MM50864;C#CC(=C)C(=O)C=NO;OLWUBWZTNKCLLD-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50865;MM50865;C#CC(=O)C(=O)C=NO;HUDVRZZRQKUEEV-UHFFFAOYSA-N;125.08;-0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50866;MM50866;C=NNC(=N)C(=CF)OC;GYYOIDXKWNYBJT-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50867;MM50867;CC#CC(C)C(O)CO;XPTPFPLYWQNPTF-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50868;MM50868;CC(=O)ON=CN;XBXMKFBTJNSVEE-UHFFFAOYSA-N;102.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50869;MM50869;CN=C(C)N(C)O;PJFITPRVVLSKEI-UHFFFAOYSA-N;102.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50870;MM50870;CCC(=O)ON=CN;HIMBVRNORNOVJU-UHFFFAOYSA-N;116.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50871;MM50871;CCCC(=O)ON=CN;ORBDVVSSXCVCJJ-UHFFFAOYSA-N;130.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50872;MM50872;CC(N)=NNC(=O)C(C)O;MPHKRKWQDSUOET-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50873;MM50873;COCC(=O)NN=C(C)N;XRHAKHSCCZDNJE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50874;MM50874;CC#CC(O)C(C)C#N;UBQONRBFOYGFHI-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50875;MM50875;C=COC(N)=CC(C)=NO;JWPCBBOPIHTUOI-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50876;MM50876;C=CC(O)C(O)C#CC;AHLXLRLFZQTOMK-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50877;MM50877;CC#CC(O)C(O)C=O;SJQBHYUUBMCJMM-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50878;MM50878;CC#CC(O)C(O)C#N;QHRCUXYBDFNKDN-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50879;MM50879;CC#CC(O)C(F)C=O;YFDOAAAYQMRLKW-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50880;MM50880;CC#CC(F)C(O)C#N;CADVVUBIEQRLJW-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50881;MM50881;CC(=NO)N(C=N)CC#N;JDEVBRAPAZULOH-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50882;MM50882;C#CC(O)C(O)C#CC;SAGGRGZSAPYLFX-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50883;MM50883;CC=NNC(=O)NC(C)=N;GPHKRGCKYWCEEQ-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15335;MM15335;C#CC(O)C(F)C#CC;UNWIZXPAAZBLID-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50884;MM50884;C=NNC(=O)NC(C)=N;SOGPKIKKZBIKRC-UHFFFAOYSA-N;128.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50885;MM50885;C=CNC(=O)NC(C)=NC;CAQSDBQJKYJFJV-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50886;MM50886;C=C(CO)C(O)C#CC;YCZDNTJXBCEZPO-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50887;MM50887;CC#CC(C)C(=O)NO;KEEGQWPAXHVJTH-UHFFFAOYSA-N;127.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50888;MM50888;CNCCN=C(C)N(C)O;XHJIIRGSYRXLTE-UHFFFAOYSA-N;145.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50889;MM50889;CC#CC(O)C(=O)NC;YSGZWFXJKXSIQH-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50890;MM50890;C#CC(C)(C)NCC(C)O;FFIPMLWFTZKEHB-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50891;MM50891;N=CNC(=O)NN;DBDGHEPRTKOWOV-UHFFFAOYSA-N;102.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50892;MM50892;CC#CC(F)C(=O)NN;QFLAPNTUZXRGCN-UHFFFAOYSA-N;130.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50893;MM50893;CC#CC(F)C(=O)NO;SCGCIVKAKSSUPD-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50894;MM50894;CC#CC(O)C(=O)OC;LJUWMBWFFWYHFQ-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50895;MM50895;CC#CC(O)C(=O)C=O;QGDPTXXCFMFJQU-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50896;MM50896;CC#CC(O)C(=O)C#N;LZDVJAUHJPFZHH-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50897;MM50897;C#CC(=O)C(O)C#CC;CGPWLHJWZVCDNR-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50898;MM50898;CN(C)C=NC=NCCO;QRBXDFSHUQWDLS-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50899;MM50899;C=C(C#CC)C(O)CO;UNXKMWQNLHSRQZ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50900;MM50900;CC#CC(=O)C(F)CO;QNMFLBHKERRXGN-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15480;MM15480;C=C(C#CC)C(O)C#N;NOAITSOYWJJAIV-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50901;MM50901;CC#CC(=O)C(O)C#N;ZNEINHUHFCEBFQ-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50902;MM50902;N#CC(F)(CO)C(=N)N;JPKBZMXSQQFGMI-UHFFFAOYSA-N;131.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50903;MM50903;C=C(C#CC)N(O)C=O;XVZXKNYNORAMIQ-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50904;MM50904;C=CC(=NC=NOC)NO;OZPSNTIIPQUTNK-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50905;MM50905;CN(O)C=NC=NC=N;MUASNEDSLMFKCC-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50906;MM50906;CC#CC(=O)N(C)C=O;AZRMLODHMUADJE-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50907;MM50907;C#CC(O)C(=O)C#CC;KOXJLIMDJSHLIG-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50908;MM50908;C=CC(N=CNO)=NOC;NDQJUPLUBIXZEG-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50909;MM50909;CC#CC(=O)C(=O)NC;WYTXHQSYXWDSMG-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50910;MM50910;C=C(C#CC)C(=O)C=O;WIYBRYFIHJQCKW-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50911;MM50911;CC(=CF)C(O)CCO;VXWQBIBSQZVKNR-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50912;MM50912;CC=C(F)C(O)CCO;OJKIJOGCLBZWHT-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50913;MM50913;CC=C(F)C(O)CCF;NLXANSOXNCQKBW-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50914;MM50914;CC(CO)CC(C)(F)CN;WYILVRZTYVXESV-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50915;MM50915;CC=C(F)C(O)COC;RIPWUOKNQAXMIU-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50916;MM50916;C#CC(C)(CC(C)O)NC;TVXYCWGUGAXJND-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50917;MM50917;CNCCNN=CCC=O;JLWVCSMTMQHBTL-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50918;MM50918;CON=CN(C)C(C)C=O;HGSHWHBJTBVUKP-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50919;MM50919;C#CC(=C)NC(=NN)OC;BATVTWBTUJYELB-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50920;MM50920;CNC(C=CF)CCO;VMBMCUMCJQXYBO-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50921;MM50921;CC(=NO)N(O)CCF;KVQQVPITGXZHBC-UHFFFAOYSA-N;136.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50922;MM50922;CON=CNNCC#N;FLTRQNCRBRQSQA-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50923;MM50923;CCON(C)C(C)=NO;IOHHCXSRIASCMC-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50924;MM50924;CC(=CF)C(C)CC=O;CSVXRZVATVRWCV-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50925;MM50925;CC(=CF)C(O)CC#N;RITINYFXDBWHBI-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50926;MM50926;CC(=NO)C(C)CC=O;ZQCWDVIQAKQODH-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50927;MM50927;COCC(F)(C#N)C(=N)N;CUAUOYAVALRUKA-UHFFFAOYSA-N;145.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50928;MM50928;C=NNC(C)C(C)=NO;WJPGRYIOJNTYBU-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50929;MM50929;COC(=NNC=O)NN;RTGMTAKPJCHHBX-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50930;MM50930;C#CCNNC(C#C)=NO;VIQSAFRVPOKFPM-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50931;MM50931;CC=CC(C=C(N)N)=NO;PQFUHANEOCHUJX-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50932;MM50932;C#CCN(O)C(=NO)NC;NKMFODUYBCQZEJ-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50933;MM50933;CN(O)C(=N)OC(=O)C#N;FRPKDVOERMLCAW-UHFFFAOYSA-N;143.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50934;MM50934;CCCN(O)C(=N)CF;RYNDTKFEOKFKDO-UHFFFAOYSA-N;134.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50935;MM50935;C=CCN(O)C(C)=NO;MTBLSWUYHDWMOS-UHFFFAOYSA-N;130.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50936;MM50936;CC(=NO)N(C)OC=O;KMTLYXYIYXPTJZ-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50937;MM50937;C#CC(=NNCC)NO;LULUWMHUWIKLHP-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50938;MM50938;C#CCC(O)C(C)=NO;RLKXLAWBBXEIQI-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50939;MM50939;C#CC(=NOC)C(=N)NO;BWHKNZNZFNGUIU-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50940;MM50940;CCOC=NNC(=N)N;ZHZPGIJRRRROBR-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50941;MM50941;CNN=CN=CN(C)O;FBNWQJZKHPTOKY-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50942;MM50942;CC(=CC#CC(C)N)CO;ILAYILRVGSMVOX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50943;MM50943;CN=CN=CN=CN(C)O;WIIMNAYSELQWQD-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50944;MM50944;C#CCN(O)C(C)=NO;ZZOBFGDYFJCQKC-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50945;MM50945;CC=C(C)C(=O)CCO;ZBKBURRUIPVBPR-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50946;MM50946;CC(=CN)C(=O)CCF;XGZOXJPEPRKLCV-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50947;MM50947;CC(=CF)C(=O)CCO;ALKWVNAFLMYYPF-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50948;MM50948;CNC(C#N)CNC=O;DWCPGYJHRIFRHR-UHFFFAOYSA-N;127.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50949;MM50949;COCC(=O)C(C)=CN;FEZRYXPGHWOMLF-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50950;MM50950;COCC(=O)C(F)=CN;XPSDNENKLQNSJK-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50951;MM50951;CC(=NO)C(=O)CCO;MHUCOHOSGCIINQ-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50952;MM50952;COC(=NN)NN=CNO;CDIBLMHIPJFDSW-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15404;MM15404;C=C(COC)C(C)=NO;OQXGFCVNXNGTAN-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50953;MM50953;CCN(C=NOC)CC=O;MKUBKMPPPUMWDG-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50954;MM50954;CNC=NN=CCOC;JAKNIRFJOIVMSC-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50955;MM50955;C=NNC=NC=CC=NN;MDNGLIJFDYFEEL-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50956;MM50956;C#CC(=NO)N(O)C=N;OABXYRLETQWYFZ-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50957;MM50957;CC(O)C(=NNC=O)NN;QOTNNNMYNUBSRW-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50958;MM50958;C=CC(CNC(C)=O)NC;ATCSPKDABDJOKP-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50959;MM50959;C#CC(=N)NC(=NO)OC;DDPMGSINXAPZBV-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50960;MM50960;CC(=CN)C(=O)CC=O;NFXCHMWPERGOCW-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50961;MM50961;CC(=CN)C(=O)CC#N;VLFGQNAYTNUUBI-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50962;MM50962;CC(C)C(C=NO)=C(N)N;QTSGQOPJHINGNH-UHFFFAOYSA-N;143.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50963;MM50963;CC(=CF)C(=O)NC=O;ZZIVFMUWMSWJAE-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50964;MM50964;C=CNC(=O)C(F)=CN;YKXOVAPXKKINAU-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50965;MM50965;CCC(=NO)C(C)=C(N)N;MVDRMCRZTDRPNN-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50966;MM50966;CON(C=N)C(=N)NN;YUZYZLCTLUNNDV-UHFFFAOYSA-N;131.14;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50967;MM50967;C=NNC(=O)C(F)=CN;VHXQVZASOQUFAQ-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15395;MM15395;C=NNC(=O)C(F)=CF;UEJMYCOUVQHYBX-UHFFFAOYSA-N;134.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50968;MM50968;CC(C)NCC(N)=O;BKDSFWIFBDVZHY-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50969;MM50969;C=C(NC=O)C(C)=NO;CKZIOQAEKCIVHB-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50970;MM50970;CC(=NO)C(=O)NC=N;CVASHQZCQBTTIK-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50971;MM50971;C=NNC(=N)C(C)=NO;SRFXNBCGYNRSCL-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50972;MM50972;C=NNC(=O)C(C)=NO;FLKFQCMQJJCGFD-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50973;MM50973;C=CNC(=N)OCC=O;BHHBVBAWNNETTQ-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50974;MM50974;C=C(OC=O)C(C)=NO;KLUCFNIBCVEDHM-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50975;MM50975;C=CNC(C=CN)=NO;VIPWKLBZGQKRTQ-UHFFFAOYSA-N;127.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50976;MM50976;C=NOC(=O)C(C)=NO;GXPDYCVTHUSOMP-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50977;MM50977;C#CCC(=O)C(C)=CN;MTLMAQWGINJFSS-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50978;MM50978;C#CCC(=O)C(C)=NO;XHEAREXBVQNWKD-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50979;MM50979;CCC(C#N)NN=CNC;KNUZUBYXCSQODK-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50980;MM50980;CNC(C#CCO)=NOC;CXMIXLGLGOCNGE-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50981;MM50981;CC(=NO)C(O)C=NO;KKLQIUPDRIWNEM-UHFFFAOYSA-N;132.12;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50982;MM50982;CC(=NO)C(F)C=NN;DWSGJONPHXGUMZ-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50983;MM50983;C=CC(NC)C(=C)CC=O;OCXIPIQQZUGLMR-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50984;MM50984;C=NN(C)C(CO)=NC;MKJAVXNNRAOLRS-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50985;MM50985;C#CC(C)(C#C)N(O)C=N;BDUOOPQHEDSDQQ-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50986;MM50986;CON=CC(=NN)C(C)O;ZVTDJVHRMIPMSL-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50987;MM50987;CC=CN(O)C(C)=NO;YSVKJABRTWYUCJ-UHFFFAOYSA-N;130.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50988;MM50988;COC(=N)N=C(C)N(C)O;HYYLBRCHLVKNKQ-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50989;MM50989;C=CN(N)C=NN=CNO;SZLKEBCXOHNODB-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50990;MM50990;CC(=NO)N(C)C=NO;XDBSCHOPQYUXBF-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50991;MM50991;C#CC(=N)NN=COC;AUAWPNABCGDOQU-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50992;MM50992;CNCCNN=CC=O;XUUVOTBJAKRVKE-UHFFFAOYSA-N;129.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50993;MM50993;C#CC(CC(C)=O)N=CN;SCWOIKZFGMOGPW-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50994;MM50994;C#CC(=N)NN=COCC;MKHVEUQBPJBDCI-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50995;MM50995;CNC=C(C#N)C=NOC;KCJZQSGKZYEIQP-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50996;MM50996;CC(=NO)N(O)C=NO;KAUZLUGGHKFTCJ-UHFFFAOYSA-N;133.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50997;MM50997;CC=NN(C)C(C)=NO;WLUSICQQAIPGSW-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50998;MM50998;CC(=CN)C(=O)C=CF;RBHSOVWZCPHBSH-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM50999;MM50999;CC(=CF)C(=O)C=CN;KABIJNMQMPRVCG-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51000;MM51000;CC(=CN)C(=O)C=NO;VIUFFCITKRZCQR-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51001;MM51001;CC(=NO)C(=O)C=CN;WMOUKHAPTSYJHJ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51002;MM51002;C=C(C=NN)C(C)=NO;RWWFTMXKBJOGJY-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51003;MM51003;C=C(C=NO)C(C)=NO;NWTFQURBYGJPND-UHFFFAOYSA-N;128.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51004;MM51004;CON=CNNC(C)C#N;XIHKWJDAJCSPTO-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51005;MM51005;CC#CC(O)C(C)=NO;AKHMYTZVDNTBLQ-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51006;MM51006;CC(=CCF)C(O)CO;XVMUGVWNPYSXRN-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51007;MM51007;CC(=CCO)C(O)CF;YUAKUWASYIQQSY-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51008;MM51008;CC(=CCO)C(F)CO;KJNGVAWAWJESLB-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51009;MM51009;CC(CO)C(F)=CCO;AELVADNCBRBABJ-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51010;MM51010;CNC=NN=CC(C)OC;XYECBKKYZZBOOM-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51011;MM51011;CCOC=NN(C)C(=N)N;KYNGUMMUYSJAII-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51012;MM51012;COC=C(F)C(O)CF;JXOWNGKRGQMCKU-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51013;MM51013;CON=CNC=CC#N;DTMTZONZCOXJPL-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51014;MM51014;C#CC(=N)NC(=N)ON=C;KQZUKTSLAGQLSF-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51015;MM51015;C#CC(=NNC(C)=O)NN;KKTNLQZDAFYGIV-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51016;MM51016;CC#CC(=NO)C(=N)NO;QBXDLZAYMQFQSR-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51017;MM51017;N#CC=C(F)C(O)CO;IWPNXYRQHGQFLJ-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51018;MM51018;N#CC=C(F)C(F)CO;XUQIHPGJYAWKPM-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51019;MM51019;COC(C)C(N)=CC=O;UVDJCBUSAIQSHE-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51020;MM51020;C#CC=C(C)C(O)CO;SADKMCSAVNUPNI-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51021;MM51021;CNN=CC(=N)NC(C)=N;XHCBGKTWPFRIAJ-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51022;MM51022;CC(=O)C#CC(=N)N;BJDBNWHIXBKZCA-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51023;MM51023;C#CC(=C)C(=NN)C(=N)N;AYEGAXRIFRPUHW-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51024;MM51024;CC(=CCF)C(O)C=O;IAULDLYVZFWDML-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51025;MM51025;CC(=CCF)C(O)C#N;SIIFPCDYPOOBDK-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51026;MM51026;CC(C#N)C(F)=CCO;FBTZUXODICXZCN-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51027;MM51027;CN(C=N)C(=O)NC=N;JYWPRESKSFSLFA-UHFFFAOYSA-N;128.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51028;MM51028;CNNC(=N)N(C)C=O;PJDRACWMVQLAAV-UHFFFAOYSA-N;130.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51029;MM51029;N#CC(O)C(F)=CCO;NTCQZGYGBZSRTA-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51030;MM51030;COC=C(C)C(C)C#N;YVWNFOAYQCDONC-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51031;MM51031;COC=C(C)C(O)C#N;NYQSFKUJIHOXLR-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51032;MM51032;COC=C(F)C(O)C#N;RDSKBRXSFOJHNK-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51033;MM51033;CNN=C(C)C(O)C#N;KRMYFXJFMOLELQ-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51034;MM51034;C=C(C#N)CNC(C)=NO;KUCBDUQEVJTTEY-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51035;MM51035;CON=C(C)C(O)C#N;CVHSBWXBLCAQHH-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51036;MM51036;CC(=CCF)N(O)C=O;PXLLUBBEHZPQAZ-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51037;MM51037;COC=C(C)N(C)C=O;KHBWCJIIRRDZOP-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51038;MM51038;COC=C(C)N(O)C=O;WEHHAXSLZSPZEA-UHFFFAOYSA-N;131.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51039;MM51039;C=CNC(=NO)C(C)=CN;SDWHAPVEXORZJI-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51040;MM51040;C=CN(C)C(C=CN)=NO;JPTBRRIINXMITQ-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51041;MM51041;CNC(=O)C(=N)NCC#N;IBWLEZWJGFYTOH-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51042;MM51042;CON=C(C)N(C)C=O;BHGYORHPBOHTAZ-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51043;MM51043;COC(=N)N(O)CC=O;QMUDIIRLBLMDRL-UHFFFAOYSA-N;132.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51044;MM51044;C=CN(O)C=NC=NN;HWLXVHCEUVSBQN-UHFFFAOYSA-N;128.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51045;MM51045;C=CC=C(C)C(O)C=O;VMZGRTVREGYRLX-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51046;MM51046;CC(=CC=O)C(O)C=O;XLPDNKHPGAZQNI-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51047;MM51047;CC(=CC=O)C(O)C#N;NXNLCAJOTFGXAX-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51048;MM51048;CC(C#N)C(N)=CC=O;RUWXUOSMXLQWCP-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51049;MM51049;CNN=CN(O)CC=CF;XSJAOTZTMZRWAL-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51050;MM51050;CNCC(O)C#CC=NO;ZKQKITNEHKCVME-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51051;MM51051;CC(=NC(C)C#N)NC=N;BVGJNEYBTDBITO-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51052;MM51052;N#CC(O)C(N)=CC=O;DWBRSAOGIZPAHX-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51053;MM51053;N#CC=C(N)C(O)C#N;VDIBJMIYNDQUTI-UHFFFAOYSA-N;123.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51054;MM51054;CNCC(O)C(C)(C)C#N;VZIHBSRCJYSLJX-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51055;MM51055;CC(C#N)C(F)=CC#N;CDCLHQYFZGPLJP-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51056;MM51056;C=CC(O)C(F)=CC=O;DNFMZNCCIIKVNK-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51057;MM51057;O=CC=C(F)C(O)C=O;ZDYNVLKMQVYPTQ-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51058;MM51058;N#CC=C(F)C(O)C=O;CKCWHMRCUHTZTR-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51059;MM51059;N#CC=C(F)C(O)C#N;AIKMTULWICWYSM-UHFFFAOYSA-N;126.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15304;MM15304;O=CC=C(F)C(F)C=O;PZOOFRJXMCMMTR-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51060;MM51060;C=NN=C(C)C(O)C#N;UXLSBFUYSYFHFV-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51061;MM51061;CC(=CC#N)N(C)C=O;PRMYUNFDARIBFY-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51062;MM51062;CC(=CC#N)N(O)C=O;DCVZYAJIINXIRC-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51063;MM51063;N=CNC=NC=C(F)CO;QLUOMDNRCJHDDI-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51064;MM51064;N#CC=C(N)N(O)C=O;KVBBFFDKLPPHEZ-UHFFFAOYSA-N;127.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51065;MM51065;C=CN(O)C(C)=NC=O;GAJVAAKFRREPNI-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51066;MM51066;N#CCNCCNC=O;KSHJPNUMPKODAS-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51067;MM51067;C#CC(=N)NN=COC=C;DLKYNLWHJNCKPI-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51068;MM51068;C#CC=C(C)C(O)C=O;MBIIUQNFSCRNSH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51069;MM51069;C#CC=C(F)C(C)C#N;SMIDZOKSVRNWLD-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51070;MM51070;C#CC=C(F)C(O)C#N;QKOQIDGSTHPDPQ-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51071;MM51071;C#CC=C(C)N(C)C=O;GDZZMMPAHBGGHF-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51072;MM51072;C#CC(O)C(C)=CCF;DGHORXOGPJPRDV-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51073;MM51073;C#CC(F)C(C)=CCF;OTIVGYWDNGNIFS-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51074;MM51074;C=CC(CNC)=C(F)CO;UKEGWCLWACECKY-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51075;MM51075;C#CC(O)C(F)=COC;DDORCMNPIFSORA-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51076;MM51076;C=CCC(C)(N)C#CCO;ILVNDQGOAPOUNP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51077;MM51077;C#CC(O)C(C)=NOC;KZZVUGQLCFIKEF-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51078;MM51078;C#CC(O)C(C)=CC=O;BKWSGXCTASOBFE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51079;MM51079;C=CNC(=NC=O)NC=N;BPVBERHNDONKTM-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51080;MM51080;C#CC(O)C(F)=CC#N;HBQHALUYFKQZJE-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15334;MM15334;C#CC=C(F)C(O)C#C;OUJUPUKDCZUFLJ-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51081;MM51081;C=CC(N)(C=C)CO;RAIJMLMPYXJMBM-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51082;MM51082;C=CC(=CF)NC(=N)NO;ANPYIXNNZHRXHP-UHFFFAOYSA-N;145.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51083;MM51083;CNC=C(F)C(=O)CF;OJCBJBLTERDJPR-UHFFFAOYSA-N;135.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51084;MM51084;COC=C(C)C(=O)CO;WURCYXKTIAFFJQ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51085;MM51085;CNN=CN(N)C=NNC;ZMWHQYJDGDDGBM-UHFFFAOYSA-N;144.18;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51086;MM51086;CNC(=CC(=N)NO)NC;FSSNLXCMZNVIIK-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51087;MM51087;N#CC#CC=CC(=N)NO;APBVHBCOSCOTPP-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51088;MM51088;CNC(=O)C(F)=CCO;WTRSIMYUSFRTFV-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51089;MM51089;NNC(=O)C(F)=CCO;BQMWQDVHOOMOTF-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51090;MM51090;N=CNC(=N)C(N)CO;WRVXQIQBRSTJDB-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51091;MM51091;CNC=C(F)C(=O)NN;XIXPXGUMCLZMPC-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51092;MM51092;CNC=C(F)C(=O)NO;DWCCQJPJQLEWDL-UHFFFAOYSA-N;134.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51093;MM51093;C=CC(N)C(=C)CO;YFLSVJCHBOLPFZ-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51094;MM51094;C=NOC(=NNC)N(C)N;FFMFTIVXKDWATA-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51095;MM51095;COC(=O)C(F)=CCO;KTIBPWREPRJHIR-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51096;MM51096;CNC=C(C)C(=O)OC;VABCDQGHJCAUJL-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51097;MM51097;CNC(=O)C=NNC(=N)N;XUIJHDGEDAJKMS-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02765;MM02765;CON=C(C)C(=O)CF;DPWGULUTKIDZBT-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51098;MM51098;N=CNC(N)=NOC=NN;KIVCOBUEYVAUTN-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51099;MM51099;CN=CN(N)C(C)=CCO;ALCKWOUXNRFZHN-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51100;MM51100;C=NOC(=NN)N(C)N;UBNGLDIEYFPADO-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51101;MM51101;CC(=CC=O)C(=O)CO;ZVRHEHLFYILIDM-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51102;MM51102;C=CC=C(C)C(=O)CF;OPFXYJRWPOVZOU-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51103;MM51103;CCC(=O)C(N)=CC=O;KNWRMXOMAUSPSN-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51104;MM51104;NC(=CC=O)C(=O)CO;DFYFVOADFUNZRB-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51105;MM51105;N#CC=C(N)C(=O)CO;OAMXHWPRIUDXAL-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51106;MM51106;C=C(CO)C(F)=CC=O;CHRDWNKCKMADGF-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51107;MM51107;O=CC=C(F)C(=O)CO;FZFSMDAPULNPSF-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51108;MM51108;N#CC=C(F)C(=O)CO;POYITXBKXJLVNE-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51109;MM51109;CNC(=O)C(C)=CC#N;GFJFLSTVMWELSI-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51110;MM51110;C=C(F)C(=CCO)CNC;ZSLXBFKCHJBAJY-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51111;MM51111;CNC(=O)C(N)=CC#N;NSIKONPEHPTVEM-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51112;MM51112;N#CC=C(N)C(=O)NO;KLCWWIDKRQUJEK-UHFFFAOYSA-N;127.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51113;MM51113;C#CC(=NCC)NCCO;BRPXKAJFAZIIRZ-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51114;MM51114;CNC(=O)C(F)=CC=O;VEGORMHXRMCAFA-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51115;MM51115;CNC(=O)C(F)=CC#N;JVYLKZYTHOTGCC-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51116;MM51116;N#CC=C(F)C(=O)NO;GREBXADDZCGCFS-UHFFFAOYSA-N;130.08;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51117;MM51117;COC(=O)C(N)=CC#N;DSCPVVNWPHAWPH-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51118;MM51118;COC(=O)C(F)=CC#N;LHNHYKIQWNGTQW-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51119;MM51119;CC=NOC(=NN)N(C)N;HYKTWPZHQDTIDG-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51120;MM51120;C=NN=C(C)C(=O)NC;ASWBXFQZNDQYSB-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51121;MM51121;C#CC=C(C)C(=O)CO;PDSYEIWNZXKLEG-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51122;MM51122;CC(N)C#CC=CCO;ZOXFTZBWWADIIO-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51123;MM51123;C=NOC(N)=NNC(=N)N;PRKZRLXYBQFGNJ-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51124;MM51124;C#CC=C(F)C(=O)NC;UJDLRFYRQFVIKX-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51125;MM51125;C#CC=C(F)C(=O)NN;RYMMOTYVMVEJIO-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51126;MM51126;C#CC=C(F)C(=O)NO;AAKWVVOKXQDLIT-UHFFFAOYSA-N;129.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51127;MM51127;CC(=CCO)C(=O)C=O;LNRXZCGIAHSXBR-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51128;MM51128;C=CC(=O)C(F)=CNC;NVLYHABVDNXRHM-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51129;MM51129;CNC=C(F)C(=O)C#N;WEMYRUNFIRGGOC-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51130;MM51130;COC=C(C)C(=O)C=O;AABXBOQNTBVZQR-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51131;MM51131;COC=C(F)C(=O)C#N;SDGIJVJLLOKPNT-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51132;MM51132;C=CNC(CF)=NN;FTZVOKURLIVTSQ-UHFFFAOYSA-N;117.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51133;MM51133;C=C(C#N)C(C)=CC=O;CBWAOWKYDAEULN-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51134;MM51134;C=CC=C(C)C(=O)C#N;JMBACSQWQQALFU-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51135;MM51135;CC(=CC#N)C(=O)C=O;XSTHZMYOEHRTDT-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51136;MM51136;C=C(C=O)C(N)=CC=O;NYNUGSKLYKRRRP-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51137;MM51137;C=C(C#N)C(N)=CC=O;WXHQBTQXWSOYFO-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51138;MM51138;CC(C#N)CNC(=N)C#N;XVFOOZUJAOYJSR-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51139;MM51139;N#CC(=O)C(N)=CC=O;KSJQVPCVEACXMG-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51140;MM51140;N#CC=C(N)C(=O)C#N;MEOPILQHCZKNIP-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51141;MM51141;N#CC=C(F)C(=O)C#N;VAETZDBHAZNNBY-UHFFFAOYSA-N;124.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51142;MM51142;C#CC(=O)C(C)=CCO;FSWVFGMUMOZBNJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51143;MM51143;C#CC(=O)C(C)=CNC;IJGPTHZWSZKDMF-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51144;MM51144;C#CC(=O)C(F)=CNC;QKPAFBAPFWXMNL-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51145;MM51145;C#CC(=O)C(F)=COC;DSDWQLAJFFFCPA-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51146;MM51146;C#CC(=O)C(F)=CC#N;GPRBQDLEDGIDOD-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51147;MM51147;CON=C(C)C(C)=NO;CZDGASZCCJBNGU-UHFFFAOYSA-N;130.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51148;MM51148;CC(=NO)C(N)=CC#N;AVZFBOJXQWURCW-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51149;MM51149;CCON=CNNCC#N;WHQDEJYPSDPOEQ-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51150;MM51150;NC=CC(=O)ON=CN;VLADMYZCNIOHRA-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51151;MM51151;CC(CF)=C(C)CC=O;BHJOQSJAKZPWFL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51152;MM51152;CC(CC=O)=C(F)CO;ZJFPFQLFNMZKPL-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51153;MM51153;CC(CC#N)=C(F)CO;FBDLPBOSZAZWFS-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51154;MM51154;N#CCC(F)=C(F)CO;JDVPMDXJMBXLTE-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51155;MM51155;CC(N)=CC(=O)ON=CN;ZRIGWXYMPHSUBF-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51156;MM51156;COC=CC(=O)ON=CN;VJMKIQHFVQVGJO-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51157;MM51157;CC(NC=O)=C(F)CO;DVYPRUGRPOTESY-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51158;MM51158;COC(C)=C(C)NC=O;ZWVFBGLOBLVXKC-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51159;MM51159;CC(C=O)=C(C)CCF;NMASMZBVLGAEJS-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51160;MM51160;CC(C=O)=C(N)CCF;HMZVVJPEQRRDHQ-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51161;MM51161;NN=CC=NOCCF;NENYPOSROURFSK-UHFFFAOYSA-N;133.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51162;MM51162;CC(C=O)=C(F)CCO;POGZQRVZWFVJDZ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51163;MM51163;CC(C#N)=C(F)CCO;AGSRBLFZOPISDN-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51164;MM51164;O=CC(F)=C(F)CCO;ORBYZOKQXCCTPM-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51165;MM51165;CCNC(N)=C(F)C=O;CFVHCSLLSPVYNO-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51166;MM51166;CC(C=O)=C(N)CC=O;GEZFSPXHMHEXLP-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51167;MM51167;C=NNC=NCC(C)OC;UKWSEBAIDZYJAO-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51168;MM51168;CC(C=O)=C(N)CC#N;ZYTAFBILWUKFLN-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51169;MM51169;N#CCC(N)=C(F)C=O;QIKWBJIASUQTQH-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51170;MM51170;N#CCC(N)=C(F)C#N;JTMDODXJGWCHAR-UHFFFAOYSA-N;125.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51171;MM51171;CC(NC=O)=C(F)C#N;FYXVYJFRJIDHTB-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51172;MM51172;CC#CC(=NNC=O)NN;LLLGQISTPFOMCH-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51173;MM51173;N#CC(F)=C(N)NC=O;HPDKQMWCCYUWKD-UHFFFAOYSA-N;129.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51174;MM51174;CCNC(C)C(=O)NC;VXVXQZFNAZMMBW-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51175;MM51175;CC=NN(C(C)=N)C(=N)N;CWBPDLPLTJRKIP-UHFFFAOYSA-N;141.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51176;MM51176;COC(=NC=N)NC(N)=O;SNQXXMXIGXPGCI-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51177;MM51177;CC(C=O)=C(C)OC=O;YWDFPMAGIJPKMY-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51178;MM51178;C=COC(N)=C(C)C=O;KHDOCKQUYPJSFG-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51179;MM51179;C=COC(N)=C(F)C=O;DSEHNUGIZHEWIE-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51180;MM51180;N#CC(F)=C(N)OC=O;NFUDWWCREPPPFB-UHFFFAOYSA-N;130.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51181;MM51181;C#CC(F)=C(F)CC#N;CCJLRJSAFSAMIE-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51182;MM51182;C#CC(C)=C(C)NC=O;TZLNKTCJPQHKCP-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51183;MM51183;C#CC(F)=C(C)NC=O;RUEYGQMLXMBVSB-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51184;MM51184;CC(CO)=C(F)C=NO;AGDRSZADIDYBGG-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51185;MM51185;C=C(CF)CNCCC=O;YEDPNNIDBFTIIY-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51186;MM51186;OCC(F)=C(F)C=NO;BMVARNODPMTLAV-UHFFFAOYSA-N;137.09;0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51187;MM51187;CCONC(=N)NC=NN;JTXYKOAGYIVHGI-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51188;MM51188;C#CC#CC=NNC(=N)N;QLMBAEVZPHGVHG-UHFFFAOYSA-N;134.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51189;MM51189;N#CC(=O)C(=CN)C(=N)N;PKWQMBBBKUMITI-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51190;MM51190;CC(C=O)=C(N)C=NO;YRTGOTSJQKQEMS-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51191;MM51191;N#CC(F)=C(N)C=NO;NLACINRLQFEVLH-UHFFFAOYSA-N;129.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51192;MM51192;CCC(=NO)NCC=NN;SUGJTGGMIBIGNT-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51193;MM51193;CC#CC(N)=C(F)C=O;RUOOHMWZMZULKA-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51194;MM51194;OCCC(CF)CCO;MHMICUDZEVFKNF-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51195;MM51195;FCCC(CF)CCF;JHWMPQVEMCCCSZ-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51196;MM51196;COCC(CO)CCO;PBTJXEDRHFDJAG-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51197;MM51197;COCC(CF)CCO;AEFJZMGEGBJWSV-UHFFFAOYSA-N;136.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51198;MM51198;COC(CCO)CCO;VHFVMYBTUDFQNW-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51199;MM51199;CCOC(CO)CCO;IRZLMNRFLJUTJZ-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51200;MM51200;CC#CCNC(=NO)NO;JVLYXWNFGRLSSC-UHFFFAOYSA-N;143.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51201;MM51201;CCOC(CO)COC;WGCIQMQTXJQFAD-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51202;MM51202;CCOC(CCO)OC;YVWCOHSQCFETDC-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51203;MM51203;CCOC(COC)OC;JMSHLCKVCSMPDO-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51204;MM51204;CCOC(CO)OCC;IKKUKDZKIIIKJK-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51205;MM51205;CC(NCC#N)C(O)CO;KNMIHILQXPBTFB-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51206;MM51206;C#CCN(O)C(C#C)=NC;JKAWNIGWBOTVQN-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51207;MM51207;N#CCC(CO)CCO;TZCQFRBNCMQUFO-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51208;MM51208;O=CCC(CF)CCF;FMNZCUBQHVEMJQ-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51209;MM51209;C#CC=CN(O)C=NNC;VNNVYPZQCKWIIH-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51210;MM51210;C=C(F)C(C#N)ONC=N;XFHJGXKAZPPHLU-UHFFFAOYSA-N;143.12;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51211;MM51211;COCC(CO)CC#N;UKLCPARAAJGIIL-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51212;MM51212;C=NNC=NC(C)CNC;QUTRAJXWRVQCLM-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51213;MM51213;CC=C(NC=N)OC=NO;MIDWTVCUWOAKTI-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51214;MM51214;COC(CC#N)CCO;YDHKHFDEMXGOTL-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,4-dimethoxybutanal;MM02710;COCC(CC=O)OC;QTOGOWCQVDATLL-UHFFFAOYSA-N;132.16;0.24;14605361;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51215;MM51215;COCC(CC#N)OC;QZIJYPPBARHNCR-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51216;MM51216;CN=CNNC=NCC#N;HATYNYHEAHGDHF-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51217;MM51217;COC(CO)=NNC(=N)N;CBIQKLHZUPZJND-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51218;MM51218;C#CC(=NNC(C)C)NO;BGAZGHLCCNUTIW-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51219;MM51219;C=COC(CO)CCO;YUUVRMGEIJQDLZ-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51220;MM51220;C=COC(CO)COC;AIFQKUIQGQBAJH-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51221;MM51221;C=COC(CCO)OC;AHSLFHGAJSUXDK-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51222;MM51222;COC(CCO)OC=O;ZZKUWNHWUQMGCH-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51223;MM51223;C=COC(COC)OC;ABVGKFWWDWLFBU-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51224;MM51224;CCOC(CO)CC=O;IFVBUTVWSOEJQV-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51225;MM51225;CCOC(CO)CC#N;ABSHJOYZYPDWPL-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02705;MM02705;CCOC(CC=O)OC;GKNZZBQQQUUHJM-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51226;MM51226;C=COC(CO)OCC;XGCYTYJIASVOGW-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51227;MM51227;CCOC(CO)OC=O;QYSWPXPBWKVIFA-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51228;MM51228;CCNCC=C(F)CO;OKJFRRIRTPABQE-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51229;MM51229;C#CCC(=NN)N(C)O;HJQAYWXWPFDVNY-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51230;MM51230;C=CCC(CO)CC#N;CBFAOTWWAVKVRS-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51231;MM51231;O=CCC(CO)CC=O;JRWGADVVQTXOSO-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51232;MM51232;N#CCC(CO)CC#N;VDEODDINFXBVLW-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51233;MM51233;C=CCC(CF)CC=O;OUEUOWBVZGXGDV-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51234;MM51234;N#CCC(CF)CC#N;YCSWRJRQQUIBFT-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51235;MM51235;COC(CC#N)CC=O;LZRNOJQDDQLBEG-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51236;MM51236;COC(CC#N)CC#N;KZFAHMLPYDIPNB-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51237;MM51237;C=CCC(CO)NC=O;KQKPGDAMBLNERY-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51238;MM51238;CC1(N)C(N)C1O;WOFIWKARASBCDD-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51239;MM51239;N#CCC(CO)NC=O;WQRQXSVXFYUKSZ-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51240;MM51240;C=COC(CO)CC#N;CEPLGWNTTBEINJ-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51241;MM51241;N#CC(=CF)C(=N)NO;QFBILRGAUNPEMB-UHFFFAOYSA-N;129.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51242;MM51242;N#CCNC(CO)CCO;BZZBJJXUDFWRRM-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15879;MM15879;C=COC(CC=O)OC;XNZOMAIWHOGXBU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51243;MM51243;C=COC(CC#N)OC;MNKYTSCGQSKPBH-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51244;MM51244;C=COC(CO)OC=C;SUEKKZUAJCALJK-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51245;MM51245;C=COC(CO)OC=O;SWHLOOGAJNBUMU-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51246;MM51246;C#CCNC(=NC)C(N)=O;BTCHYINPKQQOCQ-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51247;MM51247;CCN(CC#N)NC=O;LRLNSFLLCYVUSA-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51248;MM51248;C#CCC(CF)NC=O;RZPSGNNOKBPOMU-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51249;MM51249;CC#CC(=N)NN=CC=O;QCDYPDRXRWMCPW-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51250;MM51250;C=CNC(=NN)OC=O;LUPQDXPGIDETEM-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51251;MM51251;C#CC(=O)C(=NC)N(C)C;ORWQJHIZIMIIPL-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51252;MM51252;O=CC(CCO)CCF;UCBQKWDCCHWWCP-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51253;MM51253;N#CC(CCO)CCF;ZIIFIZCDSKQINS-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51254;MM51254;COCC(=O)ON=CN;IPSYGRGKBGAOHO-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51255;MM51255;CCOCC(=O)ON=CN;GROXQPBCSFOZEF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51256;MM51256;CCN=C(NN)C(=O)OC;DEUIWQCCXDUWTN-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51257;MM51257;COCC(C#N)CCO;QNTJPCWYYPMAEW-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51258;MM51258;COCC(C=O)COC;SQUQBRLKTFCDJP-UHFFFAOYSA-N;132.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51259;MM51259;COCC(C#N)COC;YBNRKZATEISFOX-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51260;MM51260;CNN(CC#N)C(C)=NO;UIFPMUCODDOPNU-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51261;MM51261;CN(O)C(CO)=NCC#N;JJKBQMCPAULHDQ-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51262;MM51262;CCOC(C#N)CCO;HPXZLPZTLOXWJZ-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51263;MM51263;CCOC(C=O)COC;AJGNFMVLBLSMKR-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51264;MM51264;CCOC(C#N)COC;AMYRNSGMUWGCTP-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51265;MM51265;CCOC(C=O)OCC;IFYTUUDFOJDWBQ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51266;MM51266;NNC(=NO)NC=O;ZAHPJRHXHADZIO-UHFFFAOYSA-N;118.1;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51267;MM51267;C#CCNC(=NO)N(C)O;MNRFDJLWAVNDPN-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51268;MM51268;C=CCC(C=O)CCO;HBBOXFQQARBHFL-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51269;MM51269;N#CCC(C#N)CCO;RGAXRLBUQJPCAO-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51270;MM51270;C=CCC(C=O)CCF;JQXBYMTTWFKVOF-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51271;MM51271;N#CCC(C#N)CCF;VLYOZACBUPEVOK-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51272;MM51272;C=CC(O)C(=O)ON=CN;FLZVWTCTSXFBIU-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51273;MM51273;CCN=C(NN)C(=O)NN;JHHQCWRZHIQRSQ-UHFFFAOYSA-N;145.17;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51274;MM51274;COCC(C=O)CC#N;WLWLEBQHXAREBZ-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51275;MM51275;COCC(C#N)CC#N;UDWIBHIDDVUQKR-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51276;MM51276;C#CC(CO)(OC)C(C)N;JJSBJJUDDCDIBM-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51277;MM51277;CCCC(C=O)NC=O;XGPWJYIVQOZZQT-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51278;MM51278;CCCC(C#N)NC=O;AWTKJYKSTHOKIE-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51279;MM51279;N=CN(O)C(=N)OC=NN;XCIABNBWOSPKPZ-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51280;MM51280;C=C(CNC(C)C)NC=O;UWVLLFXYTAQTFB-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51281;MM51281;COCC(C#N)NC=O;DQVOFRLBMVJZDG-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51282;MM51282;C#CCNC(CO)=NC;LWXIXXCCWWWBGR-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51283;MM51283;C#CC(=NOC)N(O)C=N;FHGFXJCUACUHJN-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51284;MM51284;C=CC(CCO)OC=O;BCCULYCBTUBUIQ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51285;MM51285;C=COC(C#N)CCO;OLJQENUCIUUMGX-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51286;MM51286;N#CC(CCF)OC=O;JTPRGASIZQHNCH-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51287;MM51287;C#CC(=NN=C)N(O)C=N;XWDRYWNUWWXIRG-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51288;MM51288;C=COC(C=O)COC;BMPAUDLLMORKJM-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51289;MM51289;C=COC(C#N)COC;ORFJIKIKBMHPOY-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51290;MM51290;CCOC(C=O)CC#N;PJCGKCJNHDCPMK-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51291;MM51291;CCOC(C#N)CC#N;ZPZUEGOXASKMRT-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51292;MM51292;C=COC(C=O)OCC;SRIWCSMHQKUIFM-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51293;MM51293;C=COC(C#N)OCC;PBFICGKPDIWRFZ-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51294;MM51294;C=CC(C#N)N(O)C=NC;BXOVZCZUGRBMCS-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51295;MM51295;CCN=C(NO)OC=NN;ZHNRTHMLRJSCPR-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51296;MM51296;C=CCN(C=O)CCO;KEGISFYHXANTDT-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51297;MM51297;O=CON(C=O)CCO;SVZAYRDUNZLYAK-UHFFFAOYSA-N;133.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51298;MM51298;CCON(C=O)CC#N;ABSWHOCFLROLBH-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51299;MM51299;C#CCN(C=O)OCC;WQLNHTKPEPQONM-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51300;MM51300;N#CCC(C#N)CC#N;MNAMONWYCZEPTE-UHFFFAOYSA-N;119.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51301;MM51301;C=CC(CC#N)NC=O;PWRRTDFNLQTDPD-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51302;MM51302;C=CCC(C#N)NC=O;PIPHWXXLWIWBAN-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51303;MM51303;CCNC(=NN)N(O)CC;ZJICUXKEBLZYKF-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51304;MM51304;C#CC(=NC=CCN)NO;JWASUVHDYKSSBV-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51305;MM51305;CCCCNC(=NN)NO;UADDENSWNDRJGS-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51306;MM51306;CCN=C(NO)NC=CF;CUAYGZRQYLWFHA-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15749;MM15749;C=CCC(C=O)OC=O;LLOUGDJTBUQVCG-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51307;MM51307;C=COC(C=O)CC#N;MBHQBKJAZBKFEK-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51308;MM51308;C=COC(C#N)CC#N;MKKVKZHRKRLIPE-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51309;MM51309;N#CCC(C=O)OC=O;LBMJRDZNRUFWIL-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51310;MM51310;N#CCC(C#N)OC=O;DZCXOTADQUYDHT-UHFFFAOYSA-N;124.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51311;MM51311;C#CC(C)=CN(O)C=NN;VQTRRWZYNXYTFN-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51312;MM51312;CCC(=CN)C(=N)N(C)O;UFYGAHJFROMYCV-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51313;MM51313;CCNC(C=CC=O)CO;XBISJDSHPGXBKZ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15794;MM15794;C=COC(C=O)OC=O;KYDKRXIWTOZRJE-UHFFFAOYSA-N;130.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51314;MM51314;C=COC(C#N)OC=O;KQZGZQWRWIRCIA-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51315;MM51315;N#CC(OC=O)OC=O;YAXUPFZZNQRDFS-UHFFFAOYSA-N;129.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51316;MM51316;N#CCN(C=O)CC=O;FRSDELRUNASFPS-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51317;MM51317;N#CCN(C=O)CC#N;MGYZLYWOQOFFAS-UHFFFAOYSA-N;123.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51318;MM51318;C=CN(O)C=NC=NC=N;LLXYUTGQWPJCIY-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51319;MM51319;C=CN(C=N)C(=O)NC;CQNKHNSXBDWRJE-UHFFFAOYSA-N;127.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51320;MM51320;C#CC(=N)NN=C(C)OC;YKVWYHSAHUZTBX-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51321;MM51321;C=CCN(C=O)OC=O;FUDNZQXOJBJJPE-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51322;MM51322;N#CCN(C=O)OC=O;JJYUOTKDIPRTNZ-UHFFFAOYSA-N;128.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51323;MM51323;C#CCC(C=O)CC=O;XQJYSBXRKDHHHC-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51324;MM51324;C#CCC(C#N)CC#N;TYWOVAPWAPYQIY-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51325;MM51325;C#CC=CN(C=NN)OC;PXGSGYMAUZXQKZ-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51326;MM51326;C#CCC(C#N)NC=O;FEYBLWBLHCHGIR-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15747;MM15747;C#CCC(C=O)OC=O;BHUUOGUVAMAQHB-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51327;MM51327;C#CCN(C=O)CC#N;DTHZIWUMEKUZCY-UHFFFAOYSA-N;122.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51328;MM51328;C#CCN(C=O)OC=O;UPLAQWDAOLXOEJ-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51329;MM51329;C#CCN(C=O)CC#C;CDAOUFCXKVTXDN-UHFFFAOYSA-N;121.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51330;MM51330;C=COC(=O)C(=NC)NN;UTHDUPJOLBMHPM-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51331;MM51331;CC#CC(NC)C(C)CO;YTCHPEMQDYLMFA-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51332;MM51332;C#CC(CCF)CCF;FGYLWRODFHOVPH-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51333;MM51333;C#CC(CCO)COC;NDEZCMASRVNAQL-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51334;MM51334;C#CC(COC)COC;AJSWWASNMQETFG-UHFFFAOYSA-N;128.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51335;MM51335;C#CC(CCO)OCC;GLKNWKDADADCHS-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51336;MM51336;C#CC(COC)OCC;MNOHEXRDVNIMGA-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51337;MM51337;C#CC(OCC)OCC;RGUXEWWHSQGVRZ-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51338;MM51338;C#CC(CC=O)CCF;BIXYASWNXYHSPB-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51339;MM51339;CNN=CNC(=N)CCO;PVXPOEDBYLETFJ-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51340;MM51340;C#CC(CCC)NC=O;XLYWFQNKWQWEQQ-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51341;MM51341;C#CC(COC)NC=O;JOYWQQGDVVHKBR-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51342;MM51342;C#CC(CCO)OC=C;SBAGSXYKJNZWIT-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51343;MM51343;C#CC(COC)OC=C;CCTIZOUJWYBZLT-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51344;MM51344;C#CC(CC#N)OCC;XRYPSDHLOZYDCA-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51345;MM51345;C#CC(CC=C)CC=O;WNPLEJFGDXVPMK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51346;MM51346;C#CC(CC=O)CC=O;ORVWHIMZMUJTQO-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51347;MM51347;C#CC(CC=C)NC=O;RISCUPQRASRXFQ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51348;MM51348;C#CC(CC#N)NC=O;DGRORLIMHAAHNJ-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51349;MM51349;C#CC(CC#N)OC=C;MFSXDTWQERQCBF-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51350;MM51350;C#CC(CC=O)OC=O;WIWVLXJJKGKBQD-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51351;MM51351;C#CC(OC=C)OC=O;ZHPMPINBQPACLM-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51352;MM51352;CC#CC(=NO)N(O)C=N;BBMNCQULLCIZHO-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51353;MM51353;CC(=N)NC=O;XLXDQULHNNCKLI-UHFFFAOYSA-N;86.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51354;MM51354;C=C(C)N(C=NC)CC=O;BYMAQJMITRGPOD-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51355;MM51355;OCCC(C=CF)CO;KGRHEOUXTYTUJL-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51356;MM51356;COCC(C=NO)CF;XEGXRGNDTLTPQX-UHFFFAOYSA-N;135.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51357;MM51357;C#CC(O)CNC(C)=NO;ZKYALRUXARJIBV-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51358;MM51358;CC(C)(O)CN(O)C=NN;VTGGKNDFXIQEHK-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51359;MM51359;CC#CC(=N)N(C)CC=O;HGNGNBBRUKDQFY-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51360;MM51360;CCOC(C=CF)OC;XQTMHAHSBVQHHH-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51361;MM51361;CCOC(C=NO)OC;RSYNGDUCAHRSAB-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51362;MM51362;CCCN(C=NO)OC;MYDBLDSUSOVKQR-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51363;MM51363;C=CN(O)C=NC=NNC;HKKIKUJHVNMWRW-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51364;MM51364;C=CCNCC(C=O)CF;OPCUNOVLYUETFU-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51365;MM51365;CC=CC(CF)CC=O;CUUVOSCYNMOIIK-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51366;MM51366;CC(F)=CC(=N)NCC=O;RMOGTKVMMMXLNL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51367;MM51367;CC(=CC(N)=O)CN(C)C;ZANLYFVXYHLCNM-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51368;MM51368;C=CC(=N)NC(C#N)=CN;VVANVJAMZSBJDK-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51369;MM51369;CNCC#CC(F)C#N;HHLPYAGAYNTQAF-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51370;MM51370;C=CC=NNC=NCCO;GZXZHABVSKVVPO-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51371;MM51371;C=NN=C(C)NCCO;OSIBEBIUMVURRY-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51372;MM51372;C=NOC(C=NO)CO;URDHWBCKURXKKE-UHFFFAOYSA-N;132.12;-0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51373;MM51373;C=NOC(C=NO)CF;CJSKELIXCSMRGK-UHFFFAOYSA-N;134.11;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51374;MM51374;COC(C=NO)OC=O;LWBZRSOZWYZLJQ-UHFFFAOYSA-N;133.1;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51375;MM51375;C=NOC(C=NO)OC;GEFMPHSBMNJJTF-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51376;MM51376;CCN(C=NO)CC#N;HTOXUQRJCLYODH-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51377;MM51377;N#CCNCC=CC(N)=O;CRYXECVERFLACM-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51378;MM51378;CC(C=O)C(C#N)N(C)C;SHDSPVQZFMLTCF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51379;MM51379;C=CCN(C=NO)OC;VMLKKAGXWCTAEB-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51380;MM51380;CON(C=NO)CC#N;ABDJLXUOTBHTOG-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51381;MM51381;CCN(C=NO)OC=O;YPLYFVIEZQCTMI-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51382;MM51382;CNC=NN=C(NN)OC;NYCXXTFGKXFMPP-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51383;MM51383;C#CCN(C=NO)OC;XSJQYWDMIJRVMG-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51384;MM51384;C=CC(C=NO)CCF;MPBOXQPAKHEECI-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51385;MM51385;O=CC(C=NO)CCF;FILKKJVGWLUWJX-UHFFFAOYSA-N;133.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51386;MM51386;C#CC(CC)NN=CNC;ZXMROYNAVLJXQF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51387;MM51387;CNN=C(NN)OC=O;MTMLHOBQYFHVRU-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51388;MM51388;N=C(C#CCCF)NN;IZBPVDFNXZRESE-UHFFFAOYSA-N;129.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51389;MM51389;CCOC(C=O)C=NO;ILUABADICSZAKP-UHFFFAOYSA-N;131.13;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51390;MM51390;CC=CN(C=O)CCO;MJQQOZALLRKNEG-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51391;MM51391;COC(OC=NN)C(=N)N;IRUREEBHLXIEDE-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51392;MM51392;O=CCC(C=O)C=NO;HZAJLFVMBBDILG-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51393;MM51393;CC=CC(C=O)NC=O;AZVGIPZQIFKXTB-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51394;MM51394;CC=CC(C#N)NC=O;JHQMFJLOLBLQIM-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51395;MM51395;N#CC(C=CF)NC=O;HUXYINKOLVCHPO-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51396;MM51396;NC=NC(C=O)C=NO;WAAOWSPRWHXMPY-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51397;MM51397;C=NNC=NC=CCN;ILLQKYKIIJAGDE-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51398;MM51398;C=CC(C=NO)NN=C;KPWWZDVDIRBBDD-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51399;MM51399;C=NNC(C#N)C=NO;QZNRLMUGWMJDGB-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51400;MM51400;C=COC(C=O)C=NO;MNOKRCRVVJAQKK-UHFFFAOYSA-N;129.12;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51401;MM51401;C=COC(C#N)C=NO;UUHGHZCZDUBRDF-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51402;MM51402;N#CC(C=NO)OC=O;NIWONGJONXKRPB-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51403;MM51403;C=NOC(C#N)C=NO;DAAUIVBDYVVQJJ-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51404;MM51404;CC=CN(C=O)CC#N;USRKZVBMRJSCBL-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51405;MM51405;N#CCN(C=O)C=CF;PEYFVGDVTDJYIA-UHFFFAOYSA-N;128.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51406;MM51406;C=CN(C=NO)CC#N;JHXSQQSGUMUWII-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51407;MM51407;C=CC(=O)OC(=NN)NN;HAPPDFSHHBPNTN-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51408;MM51408;C#CCN(C)C(=NN)OC;WPRZKQPIACGVBY-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51409;MM51409;C=CN(C=NO)OC=O;ILMQNTOCJXYMCZ-UHFFFAOYSA-N;130.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51410;MM51410;N=CN(C=NO)OC=O;AUCQIPVEDOHRMU-UHFFFAOYSA-N;131.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51411;MM51411;C#CCN(C=O)C=CC;FALQGJFDWVREOA-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51412;MM51412;C#CC(=NN)NOCC=C;ISZVFBZXWYNFTC-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51413;MM51413;C#CCN(C=C)C=NO;FNENAXNHPOKLDT-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51414;MM51414;CCNNC(=N)N(C)C=O;BSXZMUXXESCOFM-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51415;MM51415;N=C(NC=NN)C(F)F;CGBMKJGGYSZYCZ-UHFFFAOYSA-N;136.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51416;MM51416;C#CC(CC#N)NCC=O;KMXSCUNWIWOUQA-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51417;MM51417;C#CC(C=NO)CCO;DKMUCINVDAHXFE-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51418;MM51418;C#CC(C=NO)OCC;FUVPNGRXRNCILQ-UHFFFAOYSA-N;127.14;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51419;MM51419;C#CC(C=CF)CC=O;RIVGBZPYPWAGKR-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51420;MM51420;C#CC(C=NO)CC=O;LPLMPAJUOOVTCZ-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51421;MM51421;C#CC(C=CF)NC=O;VFPGJBYGPMOBAR-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51422;MM51422;C#CC(C=NO)OC=C;IBIQNJHJQPXSSG-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51423;MM51423;C#CC(C=NO)ON=C;LOCPJEAMNZZUFZ-UHFFFAOYSA-N;126.12;0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51424;MM51424;CC#CC(CO)CCO;UPLCPGHJKCSSPX-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51425;MM51425;CC(F)C(=O)ON=CN;CQHZWQPFWHQNCL-UHFFFAOYSA-N;134.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51426;MM51426;CNC=NN=CC=NOC;YIUMNJWOMHWGBY-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15350;MM15350;CC#CC(CO)OCC;USRMIROKAYEPGK-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51427;MM51427;CC#CC(CO)CC#N;UYPHVWCRNKGNTG-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51428;MM51428;CC#CC(CO)OC=O;HOVHXLCEGMRJNM-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51429;MM51429;C#CCC(C#CC)CC;LWBQRVXEBSIHNU-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51430;MM51430;CC#CC(C=O)NC=O;OYFHUPQIXCZGEA-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51431;MM51431;C#CCC(C#C)C#CC;LTCRVZQSLKWUCN-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51432;MM51432;N#CCC=C(C#N)C(=N)N;CTVWECGBWYWFAG-UHFFFAOYSA-N;134.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51433;MM51433;ON=CC(C=NO)CF;CHNGTSWZXSUGEZ-UHFFFAOYSA-N;134.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51434;MM51434;COC(C=NO)C=NO;UFKONJJFPZCHKM-UHFFFAOYSA-N;132.12;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51435;MM51435;CON(C=NN)C=NO;FNWUXFXDGGFBKE-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51436;MM51436;CON(C=NO)C=NO;NPPMXBRHPDXNRN-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51437;MM51437;C#CCN=CNCCC#N;WCVIXYJQSABVOH-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51438;MM51438;CON(C=N)C(C)=NO;NHSOHHHJPZJSKE-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51439;MM51439;C#CC(O)C(=O)ON=CN;SPBYZMLUAUEXTD-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51440;MM51440;CC(F)C(C#N)N=CNO;LMUYEZKMVOHPLZ-UHFFFAOYSA-N;145.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51441;MM51441;CC=C(C)NC(=O)NC=N;YXZPDKQGWVYJTG-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51442;MM51442;C=CN(C=NO)C=NO;OFZLZBHFEXLSNP-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51443;MM51443;C#CC=CNC(=O)NC=N;MDKVARIUXGWBCL-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51444;MM51444;N=CNC(=N)C(=N)NN;HRJPBPMPPLJGGP-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51445;MM51445;N=C(N)NC(=O)NO;ZFNYRSJBRAVQBS-UHFFFAOYSA-N;118.1;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51446;MM51446;C=NN(C=NC)C=NO;CWIRAQPPPBIXFD-UHFFFAOYSA-N;128.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51447;MM51447;C=NN(C=NO)C=NO;QVKTUGIWGGDQCP-UHFFFAOYSA-N;130.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51448;MM51448;CC=NN(C=N)C=NO;UUWOKKUCRUEYAL-UHFFFAOYSA-N;128.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51449;MM51449;C#CC(C=NN)C=NO;HZEDXJSLNIHHNX-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51450;MM51450;CNC(=NO)NC(=O)NN;RSZXNQLEYBGBHL-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51451;MM51451;CC#CC(C#N)C=NO;BTGFFMIADPSVAO-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51452;MM51452;C=CC(C#CC)C#CC;PSRVZRYJCGCTFC-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01556;MM01556;CC#CC(C#N)C#CC;HGKCYFLRKYTZIW-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51453;MM51453;C#CC(C#CC)C#CC;BQTPWVGXJZUKPO-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51454;MM51454;FC=C(CCF)CCF;DXSGCAZXEQEPAZ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51455;MM51455;CNC(=NO)NN=CC=O;SZAYINRFNSFVEH-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51456;MM51456;COCC(=CF)CCO;GXZJJXFUAZMUHN-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51457;MM51457;N#CCN=C(NO)NC=N;WZJNNJKMZLNDFP-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51458;MM51458;C=CC=NNC(=NO)NN;XUNPMPQFCAXDGA-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51459;MM51459;COCC(COC)=NO;VSOGFRQJACHKJH-UHFFFAOYSA-N;133.15;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51460;MM51460;C#CC(C)(O)CNCC#N;RZKTYKDTLQORQX-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51461;MM51461;C=NNC(CO)=NC=CC;UIMYODHKNJGYIL-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51462;MM51462;CC(=NCC#N)NC=N;BLGILJCIXVZQLJ-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51463;MM51463;CN=C(CO)NN=COC;KHRZGARODMDIEB-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51464;MM51464;CC(C)NC(=NO)NC=N;LMUDAJBDNUSVFR-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51465;MM51465;CN=C(NO)OC=O;ZNGYIYOIWLXUTP-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51466;MM51466;CNC(C=O)C(C#N)=CF;TWIDVUMKOLGXSD-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51467;MM51467;C#CC(=N)NN=CON=C;MPMBDWFTGSCTQJ-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51468;MM51468;CNN=CNC(=CF)OC;XBHXSFQJGVWMLE-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51469;MM51469;NC=NOC(=O)C=NN;YAPSPFYNONJVKR-UHFFFAOYSA-N;130.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51470;MM51470;CON=CC(C#N)=C(C)N;IZPTZFDAZRSVGG-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51471;MM51471;CC(N)C#CC(C)(F)CO;DJSYIBYDVKIUJB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51472;MM51472;CNC(C)C=C(F)CO;LSQPDYXALNCQDH-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51473;MM51473;C#CCNC(=NC)C(C)O;NWVGPIWEEUUJJU-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51474;MM51474;CC=CN(O)C(=NN)NC;HEMJEHLNTCAKBR-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51475;MM51475;CN=C(CO)NC=CC#N;XGCYYGXWFPIQKK-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51476;MM51476;CNC(C)C#CC(F)C=O;OPHIUOJNWSFJBI-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51477;MM51477;CCC(=O)N=CN(C)C;PMOGIOAOMNUVDM-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51478;MM51478;CCNC(=NO)OCC;NBIHEDIGNMMBLD-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51479;MM51479;N=CNC(=NC=O)NN;CFMFNPBTFRTHPA-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51480;MM51480;N#CCC(=CF)CCO;QTMRIYZPGNOPSU-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51481;MM51481;C#CC(N)=CC=NO;RCZPSPRNHDDVAF-UHFFFAOYSA-N;110.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51482;MM51482;CCCC(CC=O)=NO;HPWBUTLBOBTUFF-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51483;MM51483;COCC(CC#N)=NO;HWDMYGSLPAYNCV-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51484;MM51484;C#CC(CO)NCC(C)C;KITCOYSERQFTHX-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51485;MM51485;CC=C(CCO)NC=O;LCTNNLFVSUTNDD-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51486;MM51486;COCC(=CF)NC=O;AUUFRWWDKKJBFV-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51487;MM51487;C=CC(COC)C(=N)NO;NGVDJVSSSAIYBK-UHFFFAOYSA-N;144.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51488;MM51488;CN=C(CCC#N)NO;KUUYKVFKPBNXFK-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51489;MM51489;C=C(OCCO)C(C)NC;AHMAJXVLOVHLRD-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51490;MM51490;C=CC(=CC(N)C=C)CO;JFTSONGBZRABIG-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51491;MM51491;C#CC(CC(=C)CO)NC;BBMIDMHJAVYYCP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51492;MM51492;CN(N)C(=N)NN=CNN;AGFQOFKJUDXBJL-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51493;MM51493;COC(=NC=N)NC=O;KIBAJEDRYXJEJB-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51494;MM51494;C#CC(=O)NC(=NO)NN;XLJSHAOJUXFUCL-UHFFFAOYSA-N;142.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51495;MM51495;CN(N)C(=O)NC=N;YONZPOGBIFMTQL-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51496;MM51496;COCC(=NO)NC=O;CDGRFBMMOGWBMD-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51497;MM51497;CC=CC(=NO)NCCO;XTICDLPXFKDIJB-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51498;MM51498;CNCC#CC(C)C(C)=O;HWAFDRWDQWKEJJ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51499;MM51499;O=COC(=CF)CCO;YZDOLGCQXWOZLD-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51500;MM51500;C=COC(CCO)=NO;DOKSOVLENYFODI-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51501;MM51501;CCNC(=O)C(C)N=CN;XEUCHWSKBGKMMM-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51502;MM51502;CNC(C#N)(CO)C(C)O;IHJDCPSHXJRJTL-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51503;MM51503;C=NNC=NCC(C)(C)O;KMNYLUCQFNQRHQ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51504;MM51504;CCON=CNC(C)C=O;XMFOIBRVEJMPKM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51505;MM51505;CNC(=O)C(C)N=CN;FMJFMPJOVCXGNZ-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51506;MM51506;N#CC(=CF)CNCC=O;GXZLYUSKQRKGTD-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51507;MM51507;CON=C(CC#N)N(C)C;CKFMTJDSAUJDQF-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51508;MM51508;CN(C=O)C=NNC(=N)N;ORSXMUGTPNSGSJ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51509;MM51509;CON=CC(=O)ON=CN;MEALKVBMGJZNNN-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51510;MM51510;C#CC(O)C(N)=CC=NO;LPPSPPQMYIGYCY-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51511;MM51511;CNC(C)(C)C(N)=O;YTSVIBZGAFTNCI-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51512;MM51512;C=CNC(CCOC)=NO;IFHSHZLSONJMEU-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51513;MM51513;C#CC=CNC(=NO)NO;WFHXLHKYOQIZPS-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51514;MM51514;CCNC(CNC)C(C)=O;KCRMFPTVXDXSPU-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51515;MM51515;CON(C=NN)C(=N)N;ULFJDNTZUSLMFZ-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51516;MM51516;C#CC(NC=N)C(F)C#N;LHJHXOKJGQBDLG-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51517;MM51517;CC(C)NC(=N)OCC=O;FZCBLXMFUVTPDN-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51518;MM51518;CC(O)C(O)CNCC#N;BWQWVVNQKHOCGI-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51519;MM51519;COC(=N)N(O)CC(C)=O;LBCIOYYDEZCLND-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51520;MM51520;CC(=O)C(CC#N)N=CN;FKAOJCFLCKNUKP-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51521;MM51521;C#CC(=N)N=CN(O)CC;OYODWJFEPVKOJY-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51522;MM51522;CCNC(=NO)OC=O;CMQARBVRRGKDFV-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51523;MM51523;C=NOC(=NO)NCC;GBDWCFWSMUXXPU-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51524;MM51524;C#CC(C=C)C(=NN)NO;BAAJKTKBCOUKMF-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51525;MM51525;C=C(C)NC(=N)C(F)C#N;MQFMHJXWQLKOTQ-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51526;MM51526;CCOC(CC=O)=NO;TXHMOLZPNIJVKC-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51527;MM51527;C#CCC(N=CNO)=NN;YILZMEJTZUKYRD-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51528;MM51528;C=NNC(=NO)OCC;HNSMBUMJKCINIT-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51529;MM51529;C#CC(ONC=N)C(=C)F;YBWSNORNDDWDTD-UHFFFAOYSA-N;142.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51530;MM51530;CCOC(=NO)OC=O;WILYRGRSRJPQLI-UHFFFAOYSA-N;133.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51531;MM51531;C#CCC(COC)=NO;VVXISUHYBDNYGW-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51532;MM51532;C=CNC=NOC=NN;RKGPRSDXYKTLNQ-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51533;MM51533;CNCC#CC(C#N)OC;LEENBXJQLCCMCR-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51534;MM51534;CC=C(CC#N)CC#N;VTBPAOUJMNNHLN-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51535;MM51535;N#CCC(=CF)CC#N;KXVRGYOPIOSBSR-UHFFFAOYSA-N;124.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51536;MM51536;C=CCC(CC#N)=NO;PVDCHEVVKJROHU-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51537;MM51537;CC=C(CC#N)NC=O;BHBBOULVFAUFEI-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51538;MM51538;CC(CF)NC(=N)CC#N;JLHFNIWQHTXRCT-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51539;MM51539;CN(C)C(C=C(N)N)=NN;HKYRHKRBCQMBBN-UHFFFAOYSA-N;143.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51540;MM51540;C=C(OC)C(=O)ON=CN;ANUMCACUHDABRA-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51541;MM51541;CN=C(CC#N)NC=O;ACRWFUOZUJDSSB-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51542;MM51542;CN(C)C=NC(=O)NN;LDQLFCFXMLQALC-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51543;MM51543;N#CCC(=NO)NC=O;ZLBJWRZQUQVPNY-UHFFFAOYSA-N;127.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51544;MM51544;C=CC(C#N)ONC=N;JTNODNJGQOYHTJ-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51545;MM51545;C=CNC(C=C(C)N)=NO;QCGUSAOTHCXXOO-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51546;MM51546;C=CCC(=NO)NN=C;SVDYMJZDSWVTFL-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51547;MM51547;C=NNC(CC#N)=NO;FSGVRJCMJGEFJD-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51548;MM51548;C=COC(CC#N)=NO;BRZCFFYXRLULNF-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51549;MM51549;N#CCC(=NO)OC=O;PENGTSYRGUTAAS-UHFFFAOYSA-N;128.09;-0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51550;MM51550;C=NOC(CC=O)=NO;QONQTPCCRXZCQN-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51551;MM51551;C=NOC(CC#N)=NO;OEPICKJHLYJJFN-UHFFFAOYSA-N;127.1;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51552;MM51552;CC=C(NC=O)NC=O;KBKUWABQVFDQRS-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51553;MM51553;O=CNC(=CF)NC=O;PGZHOZQGCGVRJG-UHFFFAOYSA-N;132.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51554;MM51554;CN(C=N)C(=O)NN;IURHLWRTWJRIMH-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51555;MM51555;C=NN(C=NC)C(=C)CO;NLNUNXBETWIIGS-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51556;MM51556;C=CCN(C=NNC)OC;KXUBWYQPGBHMGV-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51557;MM51557;C=NN=CN=CNCC#N;DRJHPISUAZDAQD-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51558;MM51558;C=C(C)C(C#N)ONC=N;DIALLWHTGIJLHS-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51559;MM51559;CC(N)C#CC(F)C=CF;SONRWTPXWQABQO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51560;MM51560;CC(C)=C(C#N)C(=N)N;BWEDNPOZWRBVJJ-UHFFFAOYSA-N;123.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51561;MM51561;C#CCC=C(C#N)C(=N)N;ZGCFBBFEXKYBFN-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51562;MM51562;C#CC(=N)N(C)N=CCF;MCPGIFVAXQXROY-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51563;MM51563;CC(=N)NOC(C)=NO;QYBJZDHQHTWDSJ-UHFFFAOYSA-N;131.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51564;MM51564;CN=C(C)N(N)CC=NO;XDNNVSWRPXFPFY-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51565;MM51565;C#CC(=O)NC(=N)NC;DDZFHEGZTRQKRK-UHFFFAOYSA-N;125.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51566;MM51566;C=C(F)C(O)(C#CC)CN;DQMNBAOIMPHHIP-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51567;MM51567;C#CC(ONC=N)C(F)F;OTZVBJBGDHNHHT-UHFFFAOYSA-N;148.11;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51568;MM51568;C=NNC(=NO)NN=C;JYRQZTWBKKZCRZ-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51569;MM51569;CC=C(NC=O)OC=O;PYAJDJLAYVJCKQ-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51570;MM51570;C=COC(=CF)NC=O;KKSCWJNALWXVIY-UHFFFAOYSA-N;131.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51571;MM51571;O=CNC(=CF)OC=O;SGPBARROEGNIPQ-UHFFFAOYSA-N;133.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51572;MM51572;CC(=NO)NCC(O)C#N;ZBDOKGKUNYRAGN-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51573;MM51573;C=CNC(=NO)OC=O;MYUXXGKPFWSVRD-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51574;MM51574;CCNCC(O)C#CC=O;ZTWGSECSNLUOEC-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51575;MM51575;C=NOC(=NC)NC=O;YVIDFEIQEYFEHU-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51576;MM51576;CC(N)C#CC(F)C(C)O;IHHGWXQKJWDQAJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51577;MM51577;C=CC(=N)N=CNC(N)=O;RNTMRGJOHNPWCX-UHFFFAOYSA-N;140.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51578;MM51578;C=CNC(=NO)NOC=O;XSSNXFIRBOBGRM-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51579;MM51579;CNCC(CO)(CO)OC;QAVWZVIBKVDCPV-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51580;MM51580;C=NNC(=NO)OC=O;RXABMTGLKHGOKJ-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51581;MM51581;C=NNC(=N)C#CCC#N;RZBHVEGSOHSFPV-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51582;MM51582;C=NNC(=NO)ON=C;CNJDPBVBCVOEOC-UHFFFAOYSA-N;130.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51583;MM51583;CC(CF)=NO;UIVYJELOMTZOGM-UHFFFAOYSA-N;91.09;0.81;;;;;DOPC;MDCG;27;"0, -1";"MARTINI bead: Nda";;;;;;;0.43;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51584;MM51584;C#CCC(CC#N)=NO;RQKOZMGRSNRIJN-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51585;MM51585;C#CCC(=NC)NC=O;LEYRYXSZNCFZHN-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51586;MM51586;C=CNC(=O)C(C)NCC;IAZGJXIKJSBHAU-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51587;MM51587;CC(C)C(=N)NC=O;BZGOTRQBUIWXOQ-UHFFFAOYSA-N;114.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51588;MM51588;C=CN(O)C(=N)C(=C)OC;UDCLRQLPMDONFR-UHFFFAOYSA-N;142.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51589;MM51589;C#CCC(=NO)NN=C;NXUYAXDTWSYPST-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51590;MM51590;C=CN(O)C(=N)C=CN;YCMCGNOHYWMEFL-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51591;MM51591;C#CCC(=NO)ON=C;TVIYRXBKRMHMIJ-UHFFFAOYSA-N;126.12;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51592;MM51592;C=C(CC)C(N)(CO)CO;OEKMDCHBLLSISK-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51593;MM51593;C#CC=NNC(=NO)NC;BVIYSJSECYEACU-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51594;MM51594;OCCC(C=NO)=CF;GXCKHGHGECSRQA-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51595;MM51595;N=C(NO)C(N)=O;NZOXKLBUCRZPQB-UHFFFAOYSA-N;103.08;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51596;MM51596;COCC(C=NO)=CF;LGICAEUZICDGGN-UHFFFAOYSA-N;133.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51597;MM51597;NCC(N)(CO)CO;NLXHZMJIVQBDRV-UHFFFAOYSA-N;120.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51598;MM51598;OCCC(C=CF)=NO;KXJYNUJXGWCHPM-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51599;MM51599;CC1NC1(CN)CO;HIEZFEGXXSHIDS-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51600;MM51600;COCC(C=CN)=NO;IIVSRKFDUHPVME-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51601;MM51601;CN1CC1(CN)CO;OXYJIOKVYFXEFF-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51602;MM51602;C#CC(=NN(C)C)NO;PXFMDZSSSQTLHV-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51603;MM51603;CNC(=O)ONC(=N)NN;UHXAIVWHKHIAMP-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51604;MM51604;CC(=NN)NCC(C)(C)O;DBQLPCWOWFGVRN-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51605;MM51605;C#CC(C)NCC(C)(C)O;KMZQGMLHJPIREM-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51606;MM51606;CCNC(C#N)C=CCO;NJQVZGUWGXAIQG-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51607;MM51607;C=CC(N)C=C(CO)CF;PPFYHFZWADKHOE-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51608;MM51608;C#CCNCC(C)C(C)O;ASLRLHVGLTWZPQ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51609;MM51609;C#CC(CC)NCC(C)O;DHIPQOIIBOYIMO-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51610;MM51610;CNC(C=NO)=NOC;ZGSUTTNCWRWZBA-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51611;MM51611;CNCC#CCC(C)=O;WLDSZGKAKQBLEG-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51612;MM51612;CN(C)C(C=O)CC#N;UNGAMGDJYBEJGA-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51613;MM51613;CON=C(C=NO)NO;QTGOXMMNBRWDHZ-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51614;MM51614;CCOC(C=NO)=CN;RSOADHBYARBNEH-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51615;MM51615;CC=CC(N)C=CCO;GSMYNVRQJFEOLM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51616;MM51616;NC=NOC(=O)C(N)=NN;OIEWHMCGWURFCQ-UHFFFAOYSA-N;145.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51617;MM51617;CCOC(C=NO)=NN;LCGSXZYCRWXDGW-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51618;MM51618;CCOC(C=NN)=NO;PKWQVPNXPDERFX-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51619;MM51619;CC=C(C=NO)CC#N;WQYDXACHZFNCQJ-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51620;MM51620;C#CC(=O)C(=NC)NC;DHSLQUIESKQAPI-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51621;MM51621;O=CCC(C=NO)=CF;JTNGAXYLISEXQL-UHFFFAOYSA-N;131.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51622;MM51622;CON=CNN(C)CC#N;RWAQLCXLDRRRDY-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51623;MM51623;CC=CC(CC#N)=NO;ZHUFSBGPSIUSAK-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51624;MM51624;N#CCC(C=CN)=NO;NGOAWQMVDQBTPQ-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51625;MM51625;C#CCON=C(C)C=NN;XCGQPHUXVXQGDC-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51626;MM51626;C#CC(N)=C(C)C=NO;JTOIWIVHXYGODI-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51627;MM51627;C=NNC(=NOC=O)NN;GYLLEJXTORVJSX-UHFFFAOYSA-N;145.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51628;MM51628;CC(N=CN)C(N)=O;WJVPLGYXJWUHRS-UHFFFAOYSA-N;115.14;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51629;MM51629;CN=C(C=CF)NC=O;XJVBRYQABBLLSI-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51630;MM51630;CC#CCC(N)CC(N)=O;AVBDRIFYMZJOCZ-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51631;MM51631;CNCC(C)(F)CCC=O;TVSMDSGRQLHIPM-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51632;MM51632;C#CC=NNC(=N)NN;DVNIKYWPRHWIFX-UHFFFAOYSA-N;125.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51633;MM51633;CN(C=NO)CCC#N;PGNPZUXAYXFSQM-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51634;MM51634;CNN=C(NN)N(N)C=N;IGCCJLXMQYDRON-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51635;MM51635;C=CNC(C=NN)=NO;SLWQKSZWQIFILE-UHFFFAOYSA-N;128.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51636;MM51636;C=CNC(C=NO)=NO;OCKNKBMSCBVVJU-UHFFFAOYSA-N;129.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51637;MM51637;C#CC=NNC(=NO)NN;ALOSRSAIXCLIFF-UHFFFAOYSA-N;141.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51638;MM51638;N#CCC(=N)NC=N;MUKCCMAIEKLTRE-UHFFFAOYSA-N;110.12;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51639;MM51639;C=NNC(C=NO)=NN;HGTQCUREJAQFDY-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51640;MM51640;C=NNC(C=NN)=NO;QJVODGKQFZIRMW-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51641;MM51641;C=NNC(C=NO)=NO;YXOQSXVZKYAOEY-UHFFFAOYSA-N;130.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51642;MM51642;C=COC(C=NO)=CN;XURKNMUZCMGKJE-UHFFFAOYSA-N;128.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51643;MM51643;CC(C)(C)C(=N)NC=O;XHHGBJWBWNLXQP-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51644;MM51644;CN=C(NN)NOC=O;ZOVARCDFASLBOT-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51645;MM51645;CC(=N)N(C=N)N=CC#N;CCFGAVMHFSNGSG-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51646;MM51646;CNCC#CCC=O;GVHGELQEUFJITD-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51647;MM51647;NC=CC(=NO)OC=O;WAPRLAYDLLSRMU-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51648;MM51648;C#CC=NN(C)C(=N)NN;JHBSQAFKOFFENQ-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51649;MM51649;C=COC(C=NO)=NN;ZHFVBVMVVYJNAE-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51650;MM51650;N=CNN=C(CN)C(=N)N;VIWJWVMYNOYMBU-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51651;MM51651;C=COC(C=NN)=NO;ZUSUOKBOBJWTDE-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51652;MM51652;O=COC(C=NO)=NO;PBRNRKOGYSOPCC-UHFFFAOYSA-N;132.08;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51653;MM51653;C=NOC(C=CN)=NO;OBNTUINGCJANOM-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51654;MM51654;CNN=CC=NNCCN;HFYHPUYVHSOXKE-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51655;MM51655;C=NOC(C=NO)=NO;AVARGCBLJIBCBQ-UHFFFAOYSA-N;131.09;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51656;MM51656;CN(C)C(=NN)C(=N)NN;GXRVYZHUNBQWFH-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51657;MM51657;CC#CC(=N)NN=CC#N;GOVGYFBDXCYCLI-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51658;MM51658;CC(N)C#CC(F)CF;KNHSZVAIMSDWDG-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51659;MM51659;C#CCC(C=NN)=NO;CHVUXBXKANIYSJ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51660;MM51660;CC(C#N)(CO)N=CNO;ZJFANKFWVRTXKO-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51661;MM51661;COCCC(=N)NC=NN;HUQQEBKJPFNITF-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51662;MM51662;C=CC(O)CN=CNN=C;DWVRDFGWCUJEDQ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51663;MM51663;CCON=C(NC)NC=N;NBPTWNQKDLNTQY-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15437;MM15437;C=CCC(C#CC)=NO;INKVPPIFGNPIKR-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51664;MM51664;CC#CC(=CC)NC=O;KCKVGZPHSVQBDR-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51665;MM51665;CC#CC(=NC)NC=O;UWSAMZFOYKYFPH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51666;MM51666;C=CCN=CN(O)CC#N;MXKJPSSJULZCNZ-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51667;MM51667;CC(F)CN(O)C=NN;MMFOTYXDFSEYMJ-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51668;MM51668;CC#CC(=NN)NC=O;SWBVFUJAMJVFCP-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15410;MM15410;C=CNC(C#CC)=NO;YQIQLIBIOQSJFX-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51669;MM51669;COC(N=C(C)NO)=NN;GXGZOUWPIWNXKZ-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51670;MM51670;CC#CC(=NO)NC=O;LFOGLHWGOQATCV-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51671;MM51671;CCC=CN(C=N)C(N)=O;VIZRDCHOQZHWSG-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51672;MM51672;C=NNC(C#CC)=NO;WZBZQEXPOICHCF-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51673;MM51673;CC#CC(=NO)OC=O;QTHIBZGEKWWYIM-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51674;MM51674;C#CC(=NNC)NOC;GGSWXNCHZVLWHE-UHFFFAOYSA-N;127.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51675;MM51675;NC=C(C=NO)C=NO;AIQMWCFIIXEHPT-UHFFFAOYSA-N;129.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51676;MM51676;CNC(=N)C(CF)=NN;WLBBWKDKWIXHLS-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51677;MM51677;CNN=CN(CC#N)NC;WCZJLKQVUSGOMJ-UHFFFAOYSA-N;141.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51678;MM51678;NC=CC(C=NO)=NO;SLUDPEVMOSEKAG-UHFFFAOYSA-N;129.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51679;MM51679;NN=CC(C=NO)=NN;NQXIWCXTAGNOJQ-UHFFFAOYSA-N;129.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51680;MM51680;NN=C(C=NO)C=NO;NRWOENOEIBBUBI-UHFFFAOYSA-N;130.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51681;MM51681;NN=CC(C=NO)=NO;LNWBFGFRORQQIZ-UHFFFAOYSA-N;130.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51682;MM51682;CN=C(C=O)NCCC#N;GHBCGDXCNSIJQV-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51683;MM51683;CONC(=N)C(=CN)OC;KJRUNTFDMCHAFE-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51684;MM51684;CC#CC(C=NO)=NN;UFOHLLCLTWBZOJ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51685;MM51685;CC#CC(C=NN)=NO;RXDSDFPIIYYSQQ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51686;MM51686;CC#CC(C=NO)=NO;XNCPESUQOMMASW-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51687;MM51687;CC#CC(C#CC)=CC;PUQIKDIQVGUDLJ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51688;MM51688;OCCC(=CCF)CO;HXWIJRJKSXQYHD-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51689;MM51689;OCC=C(CF)CCO;GZEFGTZTSDBZIX-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51690;MM51690;COC=C(CO)CCO;ONWDQRHADIPYCB-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51691;MM51691;C#CCN=C(NN)ON=C;SATODVVWDZZTDU-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51692;MM51692;COC=C(CO)COC;XZXGAWPRBKOPRW-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51693;MM51693;CC(F)C=NNCCN;KQQLAFWXCKPGCA-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51694;MM51694;COC(=CCO)CCO;OOFSXIJYODQXSI-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51695;MM51695;COC=C(CCO)OC;WXAKPZMCQLVIRF-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51696;MM51696;COC=C(CCF)OC;LDSAECJSSWHJFQ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51697;MM51697;C=CNC(=N)NC(=O)NO;WGEGWQKJKRRESK-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51698;MM51698;COCC(=CCO)OC;YEAKVUZLUNVCBY-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51699;MM51699;COC=C(COC)OC;OTSPEYMTHSQBPE-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51700;MM51700;C=NNC(C=CCN)=NO;JBSLHGPMGQNHHC-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51701;MM51701;CCC(O)(C#N)CCNC;XQMHELHJESFBOG-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51702;MM51702;C#CC(O)C=CC(N)C=C;PBPHBZPOBLYFGR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51703;MM51703;C#CC(=N)N(O)C(=N)NC;WVSLUJCAOJJULZ-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51704;MM51704;C#CC(=NO)N(C=N)C=N;GXOIGJSUUVZNIY-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51705;MM51705;CNCC#CC(F)C(C)O;DUSKHKBUDBCYEZ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51706;MM51706;C#CC(N)=CC(C)=NO;CIUXIAJLDZSJJP-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51707;MM51707;C=CCNC(C=NO)=NN;MHNUGKIZMVSQDV-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51708;MM51708;C=CNC(=O)N=CN(C)C;RPAWDIGOVUTYKK-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51709;MM51709;C#CC(=N)N(O)C(C)C#N;UNPOXTGTDIRDTE-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51710;MM51710;C#CC(=C)N(O)C=NN;STURUDXDIOWAEI-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51711;MM51711;COC(=NC=CC#N)NO;HKEBGISGCZTFDA-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51712;MM51712;CCOC(=CCO)CO;JRVAICLZSYMSBP-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51713;MM51713;CCOC(=COC)CO;HFLHSCWWVYHGPM-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51714;MM51714;CCOC(CO)=NOC;CNMNMCMQDGIBEL-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51715;MM51715;CC(O)C(CO)NCC#N;KUIGDAYZJPPAPO-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51716;MM51716;C#CCONC(C#C)=NN;CGSCRZXDPWCCDT-UHFFFAOYSA-N;137.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51717;MM51717;C=NNCC(=NC)NN=C;AISXOXVRUXBPHF-UHFFFAOYSA-N;141.18;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51718;MM51718;CNCC=C(F)C(=O)NC;HKKBREPXUKUUSE-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51719;MM51719;O=CC=C(CO)CCF;ZUSDTMVSTAKVLD-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51720;MM51720;O=CC=C(CF)CCO;LDBXPRSKHOURNP-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51721;MM51721;C#CCNC=C(F)C=NN;XSIYIHMHEZSMPX-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51722;MM51722;COCC(=CC#N)CO;DWWRWELDIHWTBA-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51723;MM51723;COC(=CC=O)CCO;KAMXRSHUCXFFHD-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51724;MM51724;COC(=CC#N)CCO;KLGKWNSNPNWAMW-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51725;MM51725;COCC(=CC#N)OC;RYILTLXHJYFBBL-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51726;MM51726;CC(N)=C(C=NO)CC#N;FSLRMRKUMYCIJX-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51727;MM51727;C=NN=C(CO)CCO;XCHXENWTWJVSFR-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51728;MM51728;C=NNC(CCO)=NO;FDOOQBJJSXYPMI-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51729;MM51729;C=NN=C(CCO)OC;QAQWLIASJNOBND-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51730;MM51730;C=CNC(=O)N(C)C=N;QWTGQOBPRFELDR-UHFFFAOYSA-N;127.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51731;MM51731;CCNC(=CC=O)OC;LPYVFBLGWNDIKI-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51732;MM51732;CN(C)CC(=O)C(=O)C#N;KDXMMEVVCHWPHM-UHFFFAOYSA-N;140.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51733;MM51733;CCC(=NNC)NC=O;RXZBROFEPIRONI-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51734;MM51734;CC(C)(N)C#CCNC=O;CKJWSARCXFIFNH-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51735;MM51735;CN=C(NO)ONC(C)=N;IIEMDHMFJITYFF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51736;MM51736;CNN=C(CO)NC=O;HPICOMRGFJXEEU-UHFFFAOYSA-N;131.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51737;MM51737;CNN=C(CF)NC=O;BSJKCKJTYJJZND-UHFFFAOYSA-N;133.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51738;MM51738;C=CC(N)C=CC(O)C=C;RJXRQFAHKKZZBM-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51739;MM51739;CC(O)C(C)(C)N(N)C=N;QOGSRRYWFOFGOF-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51740;MM51740;NCC1(CO)CN1;HTASCYUUEWQMAV-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51741;MM51741;CON=C(CO)NC=O;HFCKEFGQBXCPDY-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51742;MM51742;C#CCN=C(C#C)N(C)O;ZGIOLIFYRJCWRQ-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51743;MM51743;CN(O)C(=N)N(N)C=N;HNLOVNFPMIIKID-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51744;MM51744;CNC(=NN)NO;MDLTUWODWJSBRK-UHFFFAOYSA-N;104.11;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51745;MM51745;C=CNC(=NC=N)NOC;WMTUGKPFZVXYNT-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51746;MM51746;C=C(CF)CNC(C)CO;XOEXKYDNSJHGMW-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51747;MM51747;CCC(O)CC(C)(N)CF;QWHYATVUQRJNOF-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51748;MM51748;C=CC(N)C=CC(C)O;SSSSHZVSNHIERJ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51749;MM51749;CC(C)(O)CC(C)(N)CF;DZIPTMLBXKOHNB-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51750;MM51750;C=C(N=CNO)N(C)C=N;OVFCYKIZDVVFDL-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51751;MM51751;CNN=C(C(N)=O)N(C)N;NPPLKPAZQKFCFV-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51752;MM51752;CN(C)CCO;UEEJHVSXFDXPFK-UHFFFAOYSA-N;89.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51753;MM51753;CC(O)CC(C)(N)CF;XEXYQJOEQWRBHG-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51754;MM51754;CCOC(=CC=O)CO;RIIJJYCFTZKXCP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51755;MM51755;CCOC(=CC#N)CO;JBPYTRDYEKEZPK-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51756;MM51756;C=CC(N)C=CCO;VARWFXOVRJYBPF-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51757;MM51757;CCNN(C(N)=O)C(C)C;AZFKIKMXAPREKP-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51758;MM51758;C#CC=C(CO)CCO;VXFWNTURWIUAIT-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51759;MM51759;C#CC=C(CCO)OC;AOUPWRLXWHRFFZ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51760;MM51760;N#CCC(=CCF)CO;KXVMEZSDVZUFQS-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51761;MM51761;O=CCC(=CCO)CF;ULZNCXPTRDXCNC-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51762;MM51762;COC=C(CO)CC#N;PZCCWFDVSDWRQN-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51763;MM51763;COC(=CCO)CC=O;MVUXVRWNPTUKQY-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51764;MM51764;COC(=CCO)CC#N;GRMCMNUDDYBRSC-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51765;MM51765;COC=C(CC=O)OC;BXOMYKBOXBXCJE-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51766;MM51766;COC=C(CC#N)OC;WIPLEKYIWZXYTD-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51767;MM51767;CNCC(C#CC=O)C=O;FVBYPIKBOGPMND-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51768;MM51768;C=NOC(=NC=NN)NN;ZRXUPOCKLBJJLP-UHFFFAOYSA-N;144.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51769;MM51769;CN(CC=O)CCC#N;DVOSSNQHRRVSRN-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51770;MM51770;C=NOC(=NC(C)=N)NN;HFXMIRPIXWPXTA-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51771;MM51771;CC=NOC(=NC=N)NN;QBUSTINSLUVCCZ-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51772;MM51772;CNN=C(CC#N)OC;KKWYPNPPBCUZNL-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51773;MM51773;C=NOC(=NC=NC)NN;LPIODWLDFYSASL-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51774;MM51774;C=CCC(C)NCC(N)=O;ZLHXAMJASGFDQW-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51775;MM51775;CC(N=CN)C(=O)C#N;LUEORYAWCOPKKE-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51776;MM51776;C#CC=C(CNC)C(C)=O;GIIIDGBPRRBICU-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51777;MM51777;O=CNC(=CCO)CO;SUXBLSVJVSUSNR-UHFFFAOYSA-N;131.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51778;MM51778;COC=C(CF)NC=O;OHYPAKFOUOJCIM-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51779;MM51779;COC=C(NC=O)OC;ZOJSYZRWFVIIOV-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51780;MM51780;C#CC(C=CF)ONC=N;QZRFQILMBTZFNU-UHFFFAOYSA-N;142.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51781;MM51781;C=CNC(=N)C=NN;AOXKYGVRNAQYPC-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51782;MM51782;C=NOC(=NC=N)NN;XVPGMTIAPZUEJM-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51783;MM51783;C=NN=C(NN)OC=NN;HIBNDZLRIWVZKO-UHFFFAOYSA-N;144.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51784;MM51784;C#CC(=NNCC)NOC;UKTJQMQRDCUNCU-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51785;MM51785;COC(C#CC(C)N)CF;OYZAOYIDMVJLCT-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51786;MM51786;CCC(=N)NOC(C)=NO;UMFHRQVQWNWNQZ-UHFFFAOYSA-N;145.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51787;MM51787;C=C(NC=N)OC(C)=NO;GFSYKHJOGOXACL-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51788;MM51788;COC(=NO)OCCN;VRJFJWLNYWWKBW-UHFFFAOYSA-N;134.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51789;MM51789;C=CC(N)COC=NO;ISLFUJZRDLARKP-UHFFFAOYSA-N;130.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51790;MM51790;CCONC(=O)NC(=N)N;LRZDNXULKPDSFF-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51791;MM51791;CN(C)CCC=NO;NZRMXWMWOHGKLK-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51792;MM51792;CON=C(NO)NC=O;GXXXAVVKVSDQFI-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51793;MM51793;C#CC(O)(C#C)C(N)CC;UZYUSZUMMOGVBN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51794;MM51794;CC=CNC(=NC)NC=O;DTLLWZCFTHAXQT-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51795;MM51795;CNC(C)(C)C(=O)NC=O;UKJUDMMSCGFFIO-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51796;MM51796;N#CCN=CN(O)C(=N)N;ABKQDAXDCARJLY-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51797;MM51797;C#CC(O)C(C)(N)COC;UYGKGZCEBLXSPG-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51798;MM51798;CNN=C(NC=O)OC;PGMPEVXARDCPMK-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51799;MM51799;CON=C(NC=O)OC;MXMPBCRCNYLRSA-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51800;MM51800;CNN=CN=CN(C)OC;CTTWTRVDHXYDGM-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51801;MM51801;C#CCCNCC(O)C#C;NVWFMKZDYFGNDD-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51802;MM51802;C=COC(=CCO)CO;LSWFHFSASFKVMP-UHFFFAOYSA-N;130.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51803;MM51803;C=COC(=COC)CO;FZLOYMPTQRGMJT-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51804;MM51804;C=CC(C)NCC(O)CF;DDYICQFJKJGQOU-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51805;MM51805;CON=CN=CNC=CF;FJEYLPHEAQAJOT-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51806;MM51806;CNCC#CC=CNC=O;CIKJEKSQAVQCKI-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51807;MM51807;C=COC(CO)=NOC;ZRJZMQNUUXTITL-UHFFFAOYSA-N;131.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51808;MM51808;CCON(C)C=NC=NN;MQVYLTIEVCPOKD-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51809;MM51809;C#CC(N)(C(C)C)C(C)O;DKPUXESQRIZHEK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51810;MM51810;C=C(C)N=C(N)C(C)=O;SNPDGZZOWADKHI-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51811;MM51811;C=CN(CC)C(=O)NC=N;BXUXFRPFYJMEKA-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51812;MM51812;C#CCN=C(CO)N(C)C;FHQRRZOWKPABAK-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51813;MM51813;C=CCC(=N)NC(=O)C=C;JVSWFZFCCNGAII-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51814;MM51814;C#CC(CO)(NC)C(C)C;BWXNDLURTGLETR-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51815;MM51815;C=CC(N)(C=C)C(C)O;CMBOSFSBWLHUFF-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51816;MM51816;CC(=N)NOC(=N)NO;DPPFDQVAKIDKTD-UHFFFAOYSA-N;132.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51817;MM51817;CNC(CC#N)=NOC;NEZBSIGSMVXTCJ-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51818;MM51818;C#CC(=N)N(O)C=NNC;RWJHJCGGORWWAY-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51819;MM51819;CNC(C#N)C=CNC=O;DNJKLKSJIOLMMK-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51820;MM51820;CC(F)=C(C#N)C(=N)NO;BXGCKZFWTSYYJY-UHFFFAOYSA-N;143.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51821;MM51821;CCC(=CC#N)CC#N;QOKKIQCHJJZAJL-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51822;MM51822;N#CCC(=CC=O)CO;GQEXEYFUNCPHGW-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51823;MM51823;N#CC=C(CO)CC=O;QAJMQSRBORWTLY-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51824;MM51824;N#CC=C(CO)CC#N;CMBZEQRLJYEWEF-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51825;MM51825;CNC(=CC=O)CC#N;FTLYHOUAIDMAPS-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51826;MM51826;COC(=CC=O)CC#N;LEPYPTRVVANUCZ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51827;MM51827;C=NN=C(CO)CC=O;LXODUAWFIKQRDN-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51828;MM51828;C=NN=C(CO)CC#N;DTSHFQURIJNDQT-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15454;MM15454;C=NN=C(CC#N)OC;VSSGNUXUYHUOEW-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51829;MM51829;CCC(=CC=O)NC=O;XPSGZCOQSQQQTJ-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51830;MM51830;CN(C)C(=NN)C(N)=O;PJHSIFJFBXKSIO-UHFFFAOYSA-N;130.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51831;MM51831;N#CC=C(CO)NC=O;MRCJJMFAGFRDMW-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51832;MM51832;N#CC=C(CF)NC=O;GKMUUFBTQSWYDR-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51833;MM51833;C=CC(N)(CO)C(=C)C;NHHJRCAFRMTTNZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51834;MM51834;C=NN=C(NN)OC=O;XQBGVKQIADPEJK-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51835;MM51835;C=NN=C(NN)OC(C)=O;DRDSYQAQPFFSIE-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51836;MM51836;CCNC(=NN)NO;GVJKLULEAKBQPB-UHFFFAOYSA-N;118.14;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51837;MM51837;COC(=CC=O)NC=O;XVAZOYGTSMBTJW-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51838;MM51838;COC(=CC#N)NC=O;FEAFUZUSXKGFKW-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51839;MM51839;CCCNC(=NN)NO;WLQCGVLTLARNJA-UHFFFAOYSA-N;132.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51840;MM51840;C#CCN(N)C(=NC)NO;GZWIEHBBVBHMQP-UHFFFAOYSA-N;142.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51841;MM51841;COC(=NN)NC(=N)NO;WCYMNVALGGRDHO-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51842;MM51842;C=CNC(CF)=NNC;UJLSQDLYXZCQHH-UHFFFAOYSA-N;131.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51843;MM51843;C#CC=CC(=N)NO;UMHSAVPYRKGFBJ-UHFFFAOYSA-N;110.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51844;MM51844;C=NN=C(CO)NC=O;SPIZUSYJKPTGES-UHFFFAOYSA-N;129.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51845;MM51845;C#CC(NC)C(C)C(C)O;JMNPSCOFEYUWGL-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51846;MM51846;CC(=NNC(=N)NN)NN;XEVPVHXPVOBAAG-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51847;MM51847;COC=NNC(=N)N;RYMUBYKGLQSNTJ-UHFFFAOYSA-N;116.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51848;MM51848;CC=CC(C)(N)CC(N)=O;LJDNOGUEYQMSLW-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51849;MM51849;C=CNC(=NNC)OC=O;WZQZBHDWOTVSAS-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51850;MM51850;C#CC(ONC=N)C(C)F;YXKSXKDDVWKZJJ-UHFFFAOYSA-N;144.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51851;MM51851;CON=CN=CNCC#N;KCMUWBFSMMZAPM-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51852;MM51852;CNC(=NOC)C(C)C#N;ODBDRMVVNAKQGK-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51853;MM51853;CC#CC(=O)ON=CN;WSOFHONIXQMABI-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51854;MM51854;C#CCC(C#N)(C=C)NC;NLSBEKGECQDXHR-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51855;MM51855;C=C(C#CCC=O)CNC;MHLYKDUOBICZIU-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51856;MM51856;CCCCC(=N)NC=O;MQQKAAMZFPVPQI-UHFFFAOYSA-N;128.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51857;MM51857;CCC(C=O)NN=CNC;XSUVLTVPGBIYRX-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51858;MM51858;N#CCC(C#N)ONC=N;OUHOKUNFIOFSGE-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51859;MM51859;C=NN=C(NO)NC=O;MHVBXPQRBKKCQD-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51860;MM51860;C=CNC(C=C)=NNCC;STGVMZFAVABACS-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51861;MM51861;CC(NC=N)=C(F)C=NN;LZPJNQGQKRBCHH-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15439;MM15439;C=NN=C(NO)NN=C;JYRQZTWBKKZCRZ-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51862;MM51862;C=NNC(=NO)NCCF;UOGBGVRBMVQHLZ-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51863;MM51863;C=NNC(C=CCN)=NC;AJLQNBYKXQODML-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51864;MM51864;CC=CN(O)C=NC=NN;GRKKTROMWSPNIN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51865;MM51865;C=NN=C(NC=O)OC;WHRGCKIASDORBL-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51866;MM51866;C=CCC#CC(=NN)NO;DPMZADYAVZVCHE-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51867;MM51867;C#CCC(=NNC)N(C)O;CPKAUQBLDOIUPF-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51868;MM51868;C=C(C)CN(O)C=NC=N;YTIBEMWPKXKVEC-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51869;MM51869;C=COC(=CC#N)CO;MVCDEBOOPHRTOC-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51870;MM51870;N#CC=C(CO)OC=O;VKZVDBCWBMEPEH-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51871;MM51871;C=COC(CO)=NN=C;OKTXRBIOGYOYNJ-UHFFFAOYSA-N;128.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51872;MM51872;C=NN=C(CO)OC=O;LVMCKUNRDWFMKR-UHFFFAOYSA-N;130.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51873;MM51873;CC=NNC(=N)C=CCN;OIWGJKKOXJGTLL-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51874;MM51874;CN(C(=N)N)C(=O)NO;HXHJFNIYMWSGPD-UHFFFAOYSA-N;132.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51875;MM51875;C#CC(OC=NO)C(C)N;GPQRMCFRTHDQOM-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51876;MM51876;CNC(=NO)NC=N;XUGZZBYCSCFDJC-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51877;MM51877;C=NN=C(NO)OC=O;RXABMTGLKHGOKJ-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51878;MM51878;C#CCC(NC)C(O)C#C;LJRHKMOYLYOICO-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51879;MM51879;C=CN(O)C(=NN)NC;XKKUBYJBXZFIIM-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51880;MM51880;CNCC#CC(CO)OC;GOPYAPJZWMZBFS-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51881;MM51881;CC=NN=C(NC)NC=N;ODKSFTSEZRUZAL-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51882;MM51882;C=NN=C(NC)NC=N;CNODFDTVPCWDMD-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51883;MM51883;N=CN=CN(O)CC=CF;LQUKMKUDMKLUEZ-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51884;MM51884;C=NN=C(OC)OC=O;IDOSNVZZMVUHDK-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51885;MM51885;C#CC=C(CO)CC=O;NWWHSYDQCQXJQV-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51886;MM51886;C#CC=C(CC#N)OC;AUXZOUSDWNZTEC-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51887;MM51887;C=COCCC(=N)N(C)O;JVLWZLMYBCNXIP-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51888;MM51888;C#CC=C(CO)NC=O;IFQBDFJNPXDFCJ-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51889;MM51889;C#CC=C(CF)NC=O;XGINIWIBXGFXDW-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51890;MM51890;C#CC=C(NC=O)OC;XRHPYVWDWNMFJW-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51891;MM51891;C#CC=C(CO)OC=C;JGZBFQOESXEHTG-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51892;MM51892;C#CC=C(CO)OC=O;MOGJNRGNHQXYEI-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51893;MM51893;C=C(CO)CC(C)(N)CF;RDHUIPUIBYAWHJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51894;MM51894;C#CCC(=COC)CO;IEHFZWBTQXREKV-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51895;MM51895;C#CCC(=CCO)OC;WHBRLKYAGRUNIA-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51896;MM51896;CC#CC(=NC)NCCO;UQFYDZSUMPXZKB-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51897;MM51897;CNC(=O)N(C=N)C(C)C;XGKHWPXXCIZGAP-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51898;MM51898;C#CCC(=CC#N)CO;ZJNKREGNCNHQTQ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51899;MM51899;C#CCC(CO)=NN=C;BNXPMQTYZMYLJY-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51900;MM51900;C=CC(CCF)NCCO;VUQBOHHEDUGJGT-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51901;MM51901;C=CC(=CCO)CCO;TZNROJUBVLYQMK-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51902;MM51902;O=CC(=CCF)CCO;PINRHKCDAFHDGZ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51903;MM51903;N#CC(=CCF)CCO;UALZSJOHYMWYJE-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51904;MM51904;O=CC(=CCO)CCF;MZFUMZLTOKVSPS-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51905;MM51905;N#CC(=CCO)CCF;BSRUGQSJERAHNO-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51906;MM51906;CNC=C(C=O)CCF;FSTBDYQGFHDKDP-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51907;MM51907;COC=C(C#N)CCO;DINKSQZJMHGSSI-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51908;MM51908;COC=C(C=O)CCF;QQNWQPJDWMRDGQ-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51909;MM51909;CCOC(=O)ON=CNC;ZIXRKFYKWORBLG-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51910;MM51910;COCC(C#N)=CCO;IQOIJCIKRHNGLR-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51911;MM51911;COC=C(C=O)COC;ABAQNDHVSZISHQ-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51912;MM51912;COC=C(C#N)COC;QZFRWRSOUHEOFM-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51913;MM51913;CC(=O)C(N)=NC=C(C)C;BGDRXQSUXFNJNJ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51914;MM51914;CC#CC(N)=CC=NO;ULLQVAFATPDKRF-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51915;MM51915;CCC(C)C(=N)NC=O;IIMVWMPZESSLIP-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51916;MM51916;C=CN(C)C=NO;REUFLLJBDVPDGW-UHFFFAOYSA-N;100.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51917;MM51917;CNCC#CC=CCO;XVVSKUPJXVRRPM-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51918;MM51918;CC(=O)NC(=NO)N(C)C;BRYRAPVGMFYDCV-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51919;MM51919;CC(O)(C=O)CNCC#N;OPJZKBXJPGIXDN-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51920;MM51920;NC=NN=CCC(O)C=O;PWTZAYVAOUQRRK-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51921;MM51921;CON=C(C#N)NOC;NUDUWECIMGVFMZ-UHFFFAOYSA-N;129.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51922;MM51922;CCOC(C=O)=CCO;FBTWQGIJKUUVKK-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51923;MM51923;C=CCN=C(NN)NN=C;XEKKCDKSRVJNOK-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51924;MM51924;N#CC=C(C=O)CCO;AXKMJDSTRFDAGR-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51925;MM51925;COCC(C#N)=CC=O;VDEQRXLDUDYHGH-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51926;MM51926;COCC(C=O)=CC#N;QTPWTVLPVZIMKB-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51927;MM51927;COCC(C#N)=CC#N;LBNOUEFEVJNZRB-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51928;MM51928;C=NN=C(C=O)CCO;SEPAYZPUSJBWKI-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51929;MM51929;CCNC(C#N)=CC#N;NWHCUZIBFPUJCR-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51930;MM51930;CC(C#N)(CO)NCCO;VDBQYOANQGMVTB-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51931;MM51931;CCN=C(C#N)NC=O;XTSXYCWUJGQELK-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51932;MM51932;CNN=CNC(C#N)C=O;LXIPTFPSVZJPJU-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51933;MM51933;C=CC(=NNC)NC=O;OKRWFSHQUSZLIM-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51934;MM51934;C=C(C)CN(C)CCCO;SWOSVNRCQBMROD-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51935;MM51935;CC(=O)CC=NN=CN;PMRIPVFDCPHHAP-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51936;MM51936;C=C(F)CN(C)CC=O;FWGLGVXCCPLSCZ-UHFFFAOYSA-N;131.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51937;MM51937;C=CC(=NOC)NC=O;QJQXSATZLQMDGX-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51938;MM51938;CON=CC=NNCC#N;AWXRTSJPHMGROY-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51939;MM51939;CON=C(C#N)NC=O;ADAATTGKFDXORH-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51940;MM51940;C#CC(C)(C(N)=O)C(C)N;WCQADPGKGUUVOQ-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51941;MM51941;N#CCC(=N)NC(=N)C#N;BEVPTWNLZLNLHP-UHFFFAOYSA-N;135.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51942;MM51942;CCOC(C#N)=CC#N;KVDWMJMVUCVPNR-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51943;MM51943;C#CC=C(C#N)COC;PMXBTFIUFSYGEQ-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51944;MM51944;C=CC(=CCO)CC=O;PSPPYRBTSQZVRS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15306;MM15306;CCC=C(C#N)CC=O;DIGAEYISEDJOAL-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51945;MM51945;CCC=C(C#N)CC#N;UIKSMXNXVHTOHF-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51946;MM51946;O=CCC(C=O)=CCO;ARSNRDHDBGXRCW-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51947;MM51947;N#CCC(C#N)=CCF;DCJNBLNZUMUXKK-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51948;MM51948;C=CCC(C=O)=CNC;LSBYSPWBCCWHQE-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51949;MM51949;COC=C(C#N)CC#N;LHVISQFGPIOHFX-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51950;MM51950;CCCCNCC(=O)NC;VKGPPZZCLLKFLA-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51951;MM51951;CNN=C(C=O)CC=O;ITWRJROCNQZZPS-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51952;MM51952;C#CCC(=NN)N(C)OC;CTYAKWHHRUVXNE-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51953;MM51953;CNN=C(C#N)CC=O;WKJFAPYUNSYGLM-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51954;MM51954;CC(=O)C(N)=NC(C)C;DEOVAQIGDWXVNJ-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15938;MM15938;CON=C(C=O)CC=O;TYXMQYKGLOGLNM-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15925;MM15925;CON=C(C#N)CC=O;DLEPVZQKQMNFHH-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51955;MM51955;C=CC(=CCO)NC=O;ZKAZBOZNOHPBRE-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51956;MM51956;CCC=C(C=O)NC=O;WUWHNPMNPVMEQY-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51957;MM51957;CNC=C(C#N)NC=O;PXQDQQVGXLSPDI-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51958;MM51958;C=CC(=COC)NC=O;KGWMZJKNPBIHJJ-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51959;MM51959;COC=C(C=O)NC=O;YLVJWWBCCQHCLZ-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51960;MM51960;COC=C(C#N)NC=O;IHCSMTYRZDDWPI-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51961;MM51961;C#CC(=C)C(=O)NC(C)=N;YQNGSDBHFWRPPY-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51962;MM51962;CC(C#N)CN(C)C=NO;BFAFAFDXAYSXLV-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51963;MM51963;C=COC(C=O)=CCO;WEJJNQZXTXEVBY-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51964;MM51964;C=COC(C#N)=CCO;HEPWDCRVQHAVNU-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51965;MM51965;N#CC(=CCO)OC=O;WWEJMRDMZQSSLT-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51966;MM51966;CNC=C(C#N)OC=O;DGCKGYHDDMCESU-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51967;MM51967;C=COC(C#N)=COC;HMKAOCSDMVKEKS-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51968;MM51968;COC=C(C=O)OC=O;OVAQYUMPIGWAQT-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51969;MM51969;COC=C(C#N)OC=O;ZQGCTFLCNODJAT-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51970;MM51970;CCCC(C)C(=N)NC=O;LSRZDWLBYYGELJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51971;MM51971;C#CCCCC(=N)NC=O;NGJJPNLGDOAWBD-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51972;MM51972;CNN=C(C#N)OC=O;YLRUMZJHHHSDMB-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51973;MM51973;C=COC(C#N)=NOC;FBUXOZWQSIYMRI-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51974;MM51974;CON=C(C=O)OC=O;GRBXEZVJOYVRSM-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51975;MM51975;CON=C(C#N)OC=O;PMUUZHXCDONXNM-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51976;MM51976;C=CCN(O)C=NCC#N;IJANZCTXSLIVPV-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51977;MM51977;CCCC(NC)C(N)=O;LRYURRGFQXERTJ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51978;MM51978;C=CCC(C#N)=CC=O;IQTZDAOUNUQZKN-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15707;MM15707;C=CC=C(C#N)CC=O;RTAXHUMXAXJVAB-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51979;MM51979;N#CC=C(C=O)CC#N;WFSJELQDSNVHLJ-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15703;MM15703;N#CC=C(C#N)CC=O;CZFUKOURVOOPRS-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51980;MM51980;N#CC=C(C#N)CC#N;OHXHXJDNBAYQKX-UHFFFAOYSA-N;117.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51981;MM51981;N#CCC(C#N)=CC=O;LLIDADJKYNDHCY-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51982;MM51982;C=NN=C(C=O)CC#N;HZEGGPOOQUAVDD-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51983;MM51983;CC(C)N(C)CCNC=O;DXQZAIYVQPLPRE-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51984;MM51984;C=CC(=CC=O)NC=O;DOASSNNXBPSEEP-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51985;MM51985;C=CC(=CC#N)NC=O;TUNCCSJUKKEBJJ-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51986;MM51986;CC(C)CCNCC(N)=O;TYUJUQXMMTVYOR-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51987;MM51987;C=CC(C)(N)CC(N)=O;QDERHISSHFBFMF-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51988;MM51988;CN(C)CCCC=O;MWVVYUVMPBNOKP-UHFFFAOYSA-N;115.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51989;MM51989;C=CC=C(C=O)NC=O;NINQBEDKVHQZAR-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51990;MM51990;N#CC=C(C=O)NC=O;QZCJWJLOMNDPBC-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51991;MM51991;N#CC=C(C#N)NC=O;FGLBDWSMPFAVDW-UHFFFAOYSA-N;121.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51992;MM51992;CN(C)CCCC(=O)C#N;UWBVMFKAVNPLHU-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51993;MM51993;C=CNC=NO;BWUNGFDMVRMGBD-UHFFFAOYSA-N;86.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51994;MM51994;C#CC(C#C)=NNC(=N)N;SHNOJBIWQZOFMY-UHFFFAOYSA-N;134.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51995;MM51995;CNC(=NN)N(C)OC;QEXIQGZNRLZKJK-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51996;MM51996;C=CC(=NC=O)NC=O;NQECDWVODUNDGN-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51997;MM51997;CN(C)C(=NO)NCC#N;CYDASSLTUCLTGH-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51998;MM51998;C=CN=C(C#N)NC=O;DARPYMPPYGSATG-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM51999;MM51999;CCON=C(NO)NOC;GOOBKZZANUIJBB-UHFFFAOYSA-N;149.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52000;MM52000;N#CC(=NC=N)NC=O;HFYYMQYWZVRQOL-UHFFFAOYSA-N;124.1;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52001;MM52001;N#CC(=NC=O)NC=O;DXBNYFCQRADRKY-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52002;MM52002;C=NNC(=N)C=C(F)CO;DDVYXLRVDKYYOG-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52003;MM52003;C=C(CF)C(=NNC)NC;LXRHUAWXQIVYKB-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52004;MM52004;C=COC(C=O)=CC=O;RGDZCUDLGRTTNT-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52005;MM52005;N#CC(=CC=O)OC=O;QPAZDVWOASCWTQ-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52006;MM52006;N#CC=C(C=O)OC=O;KTGBTHYVAZMTEV-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52007;MM52007;N#CC=C(C#N)OC=O;PPFRVRQFLJFZTI-UHFFFAOYSA-N;122.08;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52008;MM52008;C=COC(C#N)=NN=C;JUZUTDMRULSEIE-UHFFFAOYSA-N;123.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52009;MM52009;C=NN=C(C=O)OC=O;DQXYUDIFSGFKDU-UHFFFAOYSA-N;128.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52010;MM52010;C=NN=C(C#N)OC=O;TUKNFZDHXLUROR-UHFFFAOYSA-N;125.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52011;MM52011;C#CC=C(C=O)CC#N;BNKJCTXQIXILTH-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52012;MM52012;C#CC=C(C=C)NC=O;WSFAZKUQTKTFQU-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52013;MM52013;C#CC=C(C=O)NC=O;ZNVBEOFOWCKZPJ-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52014;MM52014;C#CC=C(C#N)NC=O;LLRXOMUSVICYAM-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52015;MM52015;C#CC=C(C#N)OC=C;QNGPDDLVHXFKOT-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52016;MM52016;C#CC=C(C=O)OC=O;KHADOSWQIXNXIF-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52017;MM52017;C#CC=C(C#N)OC=O;BULXDMRQIYWCHY-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52018;MM52018;C#CCC(C#N)=CCO;HJCZWEGFLYPUFB-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52019;MM52019;C=NNC(CO)=NC(=C)C;LKALLVSBHRZJDJ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52020;MM52020;C#CC=CN(O)C=NC=N;USUIWAJRAOJLKL-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52021;MM52021;CN(CC#N)C(CO)CO;NOKOYKJTJUUBKF-UHFFFAOYSA-N;144.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52022;MM52022;C#CC=C(C#N)CC#C;XECNUAGWRXDVTR-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52023;MM52023;C#CC(=CCF)CCO;CQFCJDDCUARKCD-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52024;MM52024;C#CC(=CCO)CCF;RLZMDCWEJBJIGP-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52025;MM52025;C#CC(=COC)CCO;ZZXDJUNUQUNWEU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52026;MM52026;C#CC(=CCO)COC;DXRGYIUOEJQFIN-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52027;MM52027;C=CC(=N)N(C=NN)CC;BXFNDKCQQOEZLT-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52028;MM52028;N#CC=C(F)C(=N)NO;WDDBRKHYHQQFGA-UHFFFAOYSA-N;129.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52029;MM52029;C=NNCCC(O)C(C)C;IQHTUGQXIYAHAO-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52030;MM52030;C#CCCNC(=N)C=NN;WYVLICUNNVNVIG-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52031;MM52031;CC(=O)CCCN(C)C;HCRLXYVAWDRFBV-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52032;MM52032;C#CC(=CC=O)CCO;UAYKIZGDCAAEJD-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52033;MM52033;C#CC(=CC=O)COC;OMHFJCSUNNBNQX-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52034;MM52034;C#CC(=CC#N)COC;CVFXJFLCNNCVTA-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52035;MM52035;C#CC(CCO)=NN=C;DFJXDUNMRPPRFV-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52036;MM52036;C#CC(=NCC)NC=O;IDTFJVXYNCRXDI-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52037;MM52037;CN=C(C=CN)NCC#N;RQFKPHBCQYHXLL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52038;MM52038;C#CC(=NNC)NC=O;CAJNBVHFOKZRNY-UHFFFAOYSA-N;125.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52039;MM52039;CNC(=N)C(C#N)=CCF;JRNVXGHIPPSNNW-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52040;MM52040;C#CC(=NOC)NC=O;PSQFUPJMBGSLHX-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52041;MM52041;CC(CN)NN=CCF;BBAVBDZGYUVSFU-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52042;MM52042;C#CC(=CCO)CC=O;GEIWCIWIXUREQF-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52043;MM52043;C#CC(=CCO)CC#N;CFOHKNAHADLODS-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52044;MM52044;C#CC(=COC)CC#N;UVDHYZCNJJODGQ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52045;MM52045;CON(C=N)CC(=N)NN;ORLYBUQALLUMMA-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52046;MM52046;CCNN=C(C=CF)NO;OENDHXMGNJIBGZ-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52047;MM52047;CC(F)C=NNC(C)CN;HLDANRLOORXGNX-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52048;MM52048;CNC(=N)NC(=O)CF;WGMIKTVQRYOSFN-UHFFFAOYSA-N;133.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52049;MM52049;N#CC(O)C(C#N)C(=N)N;FNTBODXWVPIPMP-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52050;MM52050;C#CC(O)CC(C)(N)C#C;VBIXFUKJGMVBAF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52051;MM52051;C#CC(=CCO)NC=O;OPTYIZXQMSNXAK-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52052;MM52052;C#CC(=CCF)NC=O;CYASTEXNFIMYAS-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52053;MM52053;C#CC(=COC)NC=O;WIWPLWFXXTUXMQ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52054;MM52054;C#CC(=CCO)OC=C;KEUICLWBHRFJPW-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52055;MM52055;C#CC(=CCO)OC=O;YMXQYCABCBDSLJ-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52056;MM52056;C#CC(=COC)OC=C;IUNGAECNPVPJFV-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52057;MM52057;N#CCN(O)C(=N)NC=N;HVUPCKFSZDAJLI-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52058;MM52058;C=CN(O)C(=NN)NCC;VHRXSOVRZSWYPZ-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52059;MM52059;C#CC(=CC#N)CC=O;AVJLJLFBBBFRDS-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52060;MM52060;C#CC(=CC#N)NC=O;ILPUOTMIHUQVEM-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52061;MM52061;C#CC(ON=C)OC(=N)N;PLGADYXZWMSVBY-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52062;MM52062;CCC(C)NC(=NN)NO;OOEXCQLGDWSORJ-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52063;MM52063;C#CC(=NC=N)NC=O;OBUFSBZVSLRERR-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52064;MM52064;N#CC(F)=C(CO)C(=N)N;RGOKJDHEAVEWOD-UHFFFAOYSA-N;143.12;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52065;MM52065;C#CC(=NN=C)NC=O;FEQRWMWFTQJGDX-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52066;MM52066;COCCC(=N)N(C)O;LEXIDLKLTPLYGO-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52067;MM52067;C#CC(=CC=O)OC=O;WEFGCIAMDBPXBG-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52068;MM52068;C#CC(=CC#N)OC=O;MFCHJIJNFZRDES-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52069;MM52069;C#CC=C(C#C)CC=C;CTSKRABGWQKWBZ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52070;MM52070;C#CC=C(C#C)CC#N;PEIQPSZXOPDKGU-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52071;MM52071;C#CC=C(C#C)NC=O;ZZBJDAFHUSCDPN-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52072;MM52072;C#CCC(C#C)=CCO;ZGJGIKUVIVSPGA-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52073;MM52073;C#CCC(C#C)=CC=C;DJJHHFVSSBEXSP-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52074;MM52074;C#CC=C(C#C)CC#C;NDKCLHZSUKUAPQ-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52075;MM52075;C=NNCCC(C)(O)CC;IOTSEZQKJHLRPQ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52076;MM52076;C=NNCC(C)(CC)CO;UWMWGWRNVXLNMW-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52077;MM52077;CCOCCC(=N)N(C)O;YCLNFGRPJXPZDN-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52078;MM52078;CCC=C(C=NO)CO;MHMKPKBDQHEHDY-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52079;MM52079;OCC(C=NO)=CCF;YDQSNELNNUFJMF-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52080;MM52080;CC(=NC(N)=CC#N)NO;PIUFWOVMYZZTIN-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52081;MM52081;C=NNCCC(C)(C)CO;HRKDGLUJDYYYHJ-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52082;MM52082;COC=C(C=NO)CO;JBWZEXQDRKEPCO-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52083;MM52083;C=COC(=C)C(=N)NO;PRMNBZHFKVDAOZ-UHFFFAOYSA-N;128.13;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52084;MM52084;COC(C=NO)=CCO;DTDJVKPIVZRTSV-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52085;MM52085;COC=C(C=NO)OC;FAWYMFPLVPQRLP-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52086;MM52086;C#CC(C#C)C(CO)NC;XEQZPAHOXROOFC-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52087;MM52087;C=CC(N)C(C)=CCO;GZQQNQPYXFJZIZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52088;MM52088;CCC(C=NO)=NNC;UGTOMAWNVOOIDF-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52089;MM52089;C=NNCCC(C)C(C)O;FCMMFFBCMVFYRN-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52090;MM52090;COC(C=NO)=CC=O;NLWJGSCKWYVKMT-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52091;MM52091;COC(C=NO)=CC#N;AWNKANVHKORLGM-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52092;MM52092;COC=C(C#N)N=CNO;BVGWDMUDFGZTJK-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52093;MM52093;CN=C(NC)NN=COC;GEGWDDVTQRPKBW-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52094;MM52094;C=NN=C(C=NO)CO;UKQZILWPICNTKI-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52095;MM52095;C#CC(C)(CCO)NCC;BUUBGGGSMCGHSQ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52096;MM52096;C=NN=C(C=NO)OC;FQIGIXJQFMLUEH-UHFFFAOYSA-N;129.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52097;MM52097;C#CC=C(C=NO)CO;OJDFZXDSKSCGRT-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52098;MM52098;C#CC=C(C=NO)OC;VQABPIMLLKALKG-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52099;MM52099;O=CC(C=CF)=CCO;OWHGEURBFDEMLB-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52100;MM52100;CNC=C(C=O)C=CF;MRPWZZUQIHWQGX-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52101;MM52101;O=CC(C=NO)=CCO;OAMYNEBBLQDPOQ-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52102;MM52102;CNC=C(C#N)C=NO;VZGAIMCJZPCUDT-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52103;MM52103;CC(CCO)N=CN(C)N;IBZPZTKIPPPAEU-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52104;MM52104;C=NNCC(CO)C(C)C;LMDCMNXLVBFOCC-UHFFFAOYSA-N;144.22;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52105;MM52105;C=CC(C=NO)=NNC;WXHQAUPNCAHTHA-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52106;MM52106;CON=C(C#N)C=NO;NTYMFUFDYGTCMA-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52107;MM52107;CC=CC(C#N)=CC#N;BBFHQLLISBJSOY-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52108;MM52108;CC(C=O)C=NN=CN;OIJNFXSYMCMUEB-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52109;MM52109;CC=CNC(=NN)OC=O;VVHYPSQBZPAQLE-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52110;MM52110;C#CC(C)(C)NCCCO;CRTGQNQATQOAGO-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52111;MM52111;C#CC(C=NO)=CCO;NRTPJQMWGKMSEW-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52112;MM52112;CCON=C(CC#N)NC;BPHOVXMAOWTXCC-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52113;MM52113;CNC=NN=CC(=O)OC;FIQPTSDPZLVXOP-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52114;MM52114;C#CC(C=NO)=NNC;FBUNIDLZOGJMDS-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52115;MM52115;C#CC(C=NO)=NOC;DYDYDJQEZYGQMW-UHFFFAOYSA-N;126.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52116;MM52116;C#CC(C=NO)=CC=O;SAVRJJQTIFHLHL-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52117;MM52117;C#CC(C=NO)=NN=C;QTJYTIXBVBBBKX-UHFFFAOYSA-N;123.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52118;MM52118;C#CC=C(C#C)C=CC;IDKJJZSOBZYKQA-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52119;MM52119;CN(C=O)NC(=O)NC=N;TYBXGWWZNLXNPD-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52120;MM52120;CC=CC(CC(N)=O)NC;KKKROAAHNPDIMP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52121;MM52121;CN(N=CNN)C(=N)NN;PLTNXPBAQKULSM-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52122;MM52122;CC#CC(=CC#N)CO;BYZMFHFOWMJKPX-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52123;MM52123;C=NN=C(C#CC)CO;RCJTUQSALADOQG-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52124;MM52124;CC(C#N)NN=CN(C)C;GFUCAHXFFMCIBM-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52125;MM52125;C=CC=C(C#N)C#CC;BUHSSAPVLLAKCM-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52126;MM52126;CC#CC(C#N)=CC=O;HANRAXYGXZLIKA-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52127;MM52127;C#CC=C(C#N)C#CC;GEGJDRAOPUCWCY-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15376;MM15376;C#CC(C#CC)=CCO;XDDQADFCEFZUPO-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52128;MM52128;C#CC(C#CC)=CC=C;LEILSNQKIPCOOF-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52129;MM52129;C#CC=C(C#C)C#CC;AXVHYOTXAQIYHC-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52130;MM52130;CN=C(CCF)NC(N)=O;IJWGDQQWNLPPDC-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52131;MM52131;C#CC(F)C(C#C)NC=N;UCHJICMDYDGDQN-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52132;MM52132;CCNC(=NN)N(C)OC;SVIYKSVYPRZWDZ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52133;MM52133;CC(F)C(CO)CCO;YXIBFFVJERVJOO-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52134;MM52134;N#CCCNC=NO;PSGPYIBDSIUILX-UHFFFAOYSA-N;113.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52135;MM52135;C=NNC(CO)=NC(C)C;XQBFLJHHMDGSPM-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52136;MM52136;CCC(N)C#CC(F)CF;IOPNHSKYTZHZJW-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52137;MM52137;COCC(CF)C(C)O;JXYLGTYYZMLKIQ-UHFFFAOYSA-N;136.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52138;MM52138;CC(=O)C(C)(C)CN(C)C;LXYPWJFDIBGUID-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52139;MM52139;C=NN(C=N)C(=N)C(=N)N;YLZISEQXHXOQCZ-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52140;MM52140;CCN=CN(O)C=NC=O;NDKDMBDPLRKYLI-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52141;MM52141;COC(CCF)C(C)O;WERUDMBPFLUTBG-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52142;MM52142;COC(CCO)C(C)F;MRAISLUTFBSJMG-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52143;MM52143;C=C(C#N)NC(=N)N(C)C;YMKWCYAFATYZNO-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52144;MM52144;CCOC(CO)C(C)O;LPKBEKQNCUXIRX-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52145;MM52145;CNNC(=N)N(C)CC#N;ZPXUBYPJVJMYAJ-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52146;MM52146;CCC(=NO)ON=CCN;FZCPDAXCDTXGGR-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52147;MM52147;CC(O)C(CF)CC#N;NANZTGJJVQJVFI-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52148;MM52148;CC(F)C(CO)CC=O;CRCCPUFFNLSJQK-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52149;MM52149;C=CC(N)C=COC=NO;VRJJNTHDZVIMDO-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52150;MM52150;C=NNCC(C)(O)C(C)C;XOCRNECNJWWADR-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52151;MM52151;N=C(NN)NC(=O)NN;PTTIPXMPUCCMSS-UHFFFAOYSA-N;132.13;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52152;MM52152;CNCC#CC(C#N)CF;XFJMITUIIXDRGE-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52153;MM52153;CC(CO)(CO)NCC#N;ZYKMOFRYWNQRDT-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52154;MM52154;C=COC(CO)C(C)O;HEUDRQOIJDLLLU-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52155;MM52155;CC#CCC(=O)NC(=N)N;NXNJSYFRVLKACB-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52156;MM52156;C=COC(OC)C(C)O;CLQXYMXFFLBDQJ-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52157;MM52157;CC(CCN(C)C)=NO;PYKHJSHBCGXOGW-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52158;MM52158;C#CC(O)(CN)C(=C)OC;OTSKCKZWRPLDQL-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52159;MM52159;C#CC#CC(O)(C=C)CN;VJACONXJHQZDNG-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52160;MM52160;C=NOC(=N)NO;VXYYOPQKHCVIME-UHFFFAOYSA-N;103.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52161;MM52161;CNN=CC(O)C(=N)NN;UBKYVVGCSVDKAE-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52162;MM52162;CC=NOC(=N)NO;RZBZHGMLIZPFLF-UHFFFAOYSA-N;117.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52163;MM52163;C#CC(O)CCN(C)C;OWCXIYUMMZKJKU-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52164;MM52164;C=C(NC(C)=O)C(C)(C)N;ICFOFFPLFXDSDC-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52165;MM52165;CC(C)C(C=O)CCF;RGDBEKLXNXGNHK-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52166;MM52166;C=C(C)N(O)C(=NN)NC;CXZLZRZPLNIGNP-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52167;MM52167;CN=C(CO)N(C)N;VZMXSHKWZDQDFN-UHFFFAOYSA-N;117.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52168;MM52168;C=CC(CCO)C(C)O;BCNBKQWJXYILGI-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52169;MM52169;CC(O)C(C#N)CCF;OAGJFJRNRBLDRT-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52170;MM52170;CC(F)C(C=O)CCO;OGOGFNIHQIRNHD-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52171;MM52171;CC(F)C(C=O)CCF;RJDHLLGEARZNSR-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52172;MM52172;C#CC(N)(CO)C(=N)N;AJGJHDDENITZNX-UHFFFAOYSA-N;127.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52173;MM52173;COCC(C#N)C(C)O;VLSJKMJGFBXSPJ-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52174;MM52174;CCC=NOC(=N)NO;CDIBMNLNDCKOKJ-UHFFFAOYSA-N;131.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52175;MM52175;CCOC(C#N)C(C)O;MOQZPDUVFNHQFH-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52176;MM52176;CC#CC(=NNC)NO;YMQZOYSNPCOPFT-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52177;MM52177;COC(CO)CNCC#N;ABGJYZIAYZZKLK-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52178;MM52178;CC(C)N(C=O)CCO;QNISGTQMYHFHFB-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52179;MM52179;C#CC(=C)CN(O)C=NN;ZJTQFAKHEWMZTK-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52180;MM52180;C=CC(CC=O)C(C)O;DBNWGKMDHSRAEX-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52181;MM52181;C=CCC(C=O)C(C)O;MXXUOHBEVFJOSS-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52182;MM52182;CC(O)C(C=O)CC=O;BMZJNJHVETZUAD-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52183;MM52183;CC(O)C(C=O)CC#N;XJGCOFPZWZSOBF-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52184;MM52184;CC(O)C(C#N)CC=O;CARUZRMODUCUAR-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52185;MM52185;CC(O)C(C#N)CC#N;OTVDHVBFWUWHQB-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52186;MM52186;CC(F)C(C#N)NC=O;BDEQNAPREIYFID-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52187;MM52187;C=NNC(C)CC(O)CC;LMSGCMJXJKRUEG-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52188;MM52188;N#CC(NC=O)C(F)F;BFUIJALLGSSFAP-UHFFFAOYSA-N;134.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52189;MM52189;C=NNC(C)C(C)C(C)O;QXZIMKYXCAPMTA-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52190;MM52190;C=NNC(C)CC(C)(C)O;DJFOJBPOLVKEMX-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52191;MM52191;C=COC(C=O)C(C)O;NUTNPJWPRSOHED-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52192;MM52192;C=COC(C#N)C(C)O;CXDPEERJHDBHDW-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52193;MM52193;C=COC(C=O)C(C)F;WXDZJGJFKBNJKB-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52194;MM52194;CC(C)(N=CN)C(=O)CF;LVNANLCLJKKTQX-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52195;MM52195;CC#CCN(O)C(=N)NN;PHHBTMBSWWPAAP-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52196;MM52196;CCNN=C(NC)N(C)O;BYWCXQVGHPALAJ-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52197;MM52197;CC(C)(C)NC(=NN)NO;HPVXATCTVSWVTR-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52198;MM52198;CCN=CNC(=NC)NO;HHIQUYPXHPENGZ-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52199;MM52199;COCC=CC(=N)N(C)O;KIIAGOHGRROZFK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52200;MM52200;C#CC(CCO)C(C)O;RIQWHWCGFHMKAN-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52201;MM52201;C#CC(CCF)C(C)O;NBHZKONSMDRPCS-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52202;MM52202;C=C(C)C(=CN)C(=N)NO;QUVVEWHYMBFYSS-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52203;MM52203;C#CC(COC)C(C)O;YRYUWHQQTQRKCK-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52204;MM52204;C#CC(OCC)C(C)O;SGFQOYOWHIPMPV-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52205;MM52205;C=CC(C(=N)NO)=C(C)N;HGNRMHFLFHPPHA-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52206;MM52206;C#CC(CC=O)C(C)C;WZOGJOWSSFTCPZ-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52207;MM52207;C#CC(CC=O)C(C)O;PXQIQWAPLMKVDV-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52208;MM52208;C#CC(NC=O)C(C)F;CPLLLIQEUKUHSH-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52209;MM52209;C#CC(OC=C)OC(=N)N;WPQFVFWQOOCLRO-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52210;MM52210;C#CC(NC=O)C(F)F;FRZZQUZXHXQJQP-UHFFFAOYSA-N;133.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52211;MM52211;C#CC(OC=C)C(C)O;TYNNMWDULQWFTP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52212;MM52212;CCC(=NN)NCC(C)O;CIUPWYTUTZHPRM-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52213;MM52213;C#CC(=C)NC(=N)NN=C;TUTWYDRKSOBCRU-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52214;MM52214;C=C(C)C(CO)CCO;BTBMDWHRSCGWAU-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52215;MM52215;C=C(C)C(CF)CCF;NUOUURJPWPSBSS-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52216;MM52216;CCCC(CO)C(C)=O;UFMYTMCKSXBKCF-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52217;MM52217;CC(=O)C(CO)CCF;NSUNQMJKOSHACK-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52218;MM52218;CCNCC(C=O)CC#N;UIEVDNHPLLWSOC-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethyl-4-fluorobutanoic Acid";MM01603;CCC(CCF)C(=O)O;WQPOHRKKNWANON-UHFFFAOYSA-N;134.15;1.46;80697263;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52219;MM52219;CNC(CC(C)C)C(N)=O;FBFNXGHTGRJJHX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52220;MM52220;CC#CC(OC)OC(=N)N;DXVGNIZTRLBNOG-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52221;MM52221;CCC(COC)C(N)=O;DYSCFVQJXDGWGQ-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52222;MM52222;C=NNC(C)C(CC)CO;DEKQVPHBOHKZSH-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52223;MM52223;C=CN(OC=O)C(C)=NN;LHTQPCWGBRXUOU-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52224;MM52224;CNC(=NN=CCN)NC;GNZQNYPTTXEXMW-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52225;MM52225;CCCC(OC)C(N)=O;FPYPFDCKQLLTFT-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52226;MM52226;COCC(OC)C(C)=O;KPFYTGCVVYFPIW-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52227;MM52227;COCC(OC)C(N)=O;KBXVQIIDSDYDDS-UHFFFAOYSA-N;133.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52228;MM52228;C#CC(OCC)OC(=N)N;RIXIDRGWWROWCR-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52229;MM52229;C#CC(OC)OC(=N)N;DYBDKVXUZDNRHX-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52230;MM52230;C#CC(=CCC=O)CNC;GXZPWOGODQJGFF-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52231;MM52231;CCOC(CO)C(N)=O;SRTTWZQWVFNDEN-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52232;MM52232;CCOC(CF)C(N)=O;FLGDRRJJQIPBFD-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52233;MM52233;CCOC(OC)C(C)=O;OPNOSCSRXCEZQQ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52234;MM52234;CCOC(OC)C(N)=O;VIIUDOKUKJZNCC-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52235;MM52235;CCN(CCF)C(N)=O;VRZNLYFTPNIXNR-UHFFFAOYSA-N;134.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52236;MM52236;CCCN(OC)C(C)=O;GWJWSYDWWQMJFY-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52237;MM52237;CON(CCF)C(C)=O;FBHHIKVIKXZOHP-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52238;MM52238;C=CC(C=O)CCN(C)C;BABSKFAHVSZLGR-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52239;MM52239;CCCN(OC)C(N)=O;VVPLECKNXMQFFG-UHFFFAOYSA-N;132.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52240;MM52240;CN(C=N)C=NNCCN;CEOGQXLIRGAXMA-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52241;MM52241;C=CN(C=NNC)C(C)=N;WBOPXHGBWKVPPA-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52242;MM52242;CCON(CC)C(N)=O;HDXUXEGSSAALLX-UHFFFAOYSA-N;132.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52243;MM52243;C=C(C)C(CO)CC=O;JWVBPJJNIHELFZ-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52244;MM52244;C=CCC(CO)C(C)=O;JUTRHBRNALSUAF-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52245;MM52245;CCC(CC#N)C(N)=O;KBHSMNWINDRCEH-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52246;MM52246;C=CCC(CF)C(N)=O;DSDKQLXRXAKIDN-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52247;MM52247;C=CCC(CO)C(=O)O;CPJGPKXISRLKTF-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52248;MM52248;C=CC(CC)NN=CNC;PLLKIYWJQRDJPT-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52249;MM52249;C=CCC(OC)C(C)=O;VBIPSBQPVLFACY-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-methoxy-4-oxopentanal;MM02654;COC(CC=O)C(C)=O;FQRBPVZRCYVBCW-UHFFFAOYSA-N;130.14;0.18;122498248;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52250;MM52250;C=CCC(OC)C(N)=O;YNXMUJSTTXWWFD-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52251;MM52251;COC(CC#N)C(N)=O;LAALWUKDQRYIPH-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52252;MM52252;COC(CC#N)C(=O)O;JVLYPSDXPSDYBM-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52253;MM52253;CNN=C(NC)C(=N)NN;FRZDMNJGAGAVJF-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52254;MM52254;CCC(NC=O)C(C)=O;ALSSZNARMSEUNG-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52255;MM52255;C=C(F)C(CF)NC=O;UTEMAAOZCCFSKI-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52256;MM52256;C=CN(C=NN)C(=N)CC;AZJITEMXQNKOPE-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52257;MM52257;CC(C=O)(C=O)NCC=O;WXYSKZGKXWOUAA-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52258;MM52258;NN=CC(C#CCF)=NN;RXSZFVMUECEFLA-UHFFFAOYSA-N;142.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52259;MM52259;CON=CC(C#N)=CN;WDZIWBNIOKRXOY-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52260;MM52260;C=COC(OC)C(C)=O;KNFYCWLXKLHGPF-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52261;MM52261;C=COC(OC)C(N)=O;YERPAGQISDKTRO-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52262;MM52262;C=NOC(=NO)NN;CHPLAATWRJHGAU-UHFFFAOYSA-N;118.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52263;MM52263;CCN(CC#N)C(C)=O;LPOKIHUSEKZFCK-UHFFFAOYSA-N;126.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52264;MM52264;CNN=C(C(=N)N)C(C)N;BTKSGCBZZDDTEP-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52265;MM52265;CCN(CC=O)C(N)=O;RLMHNUAHOKFYTB-UHFFFAOYSA-N;130.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52266;MM52266;CNCC=CC(=NN)OC;VOWXVWXWRUSHQI-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52267;MM52267;CON(CC#N)C(N)=O;FEKNBTWNFYAMST-UHFFFAOYSA-N;129.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52268;MM52268;CCN(OC=O)C(N)=O;ZHCDIPPGRYPTLT-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52269;MM52269;C#CCC(CO)C(C)=O;PFITYCMRWYMKBE-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52270;MM52270;C#CCC(CF)C(=O)O;TZAPRMWATJECRK-UHFFFAOYSA-N;130.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52271;MM52271;C#CCC(OC)C(N)=O;WDUKTBFBQPNDDY-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52272;MM52272;C#CCN(CC)C(N)=O;YSTOKIHDPYAECC-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52273;MM52273;C#CCN(OC)C(C)=O;AIJPIGSGMSLQPF-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52274;MM52274;C=C(C)C(C=O)CCO;AIMYSSDKEKDSEU-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52275;MM52275;C=C(C)C(C=O)CCF;KYAUJCIJDYGIRI-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52276;MM52276;C=C(C)C(C#N)CCF;ORISJDHETTXXGZ-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52277;MM52277;C=CC(CCO)C(C)=O;WIDZKXUSWQYGMY-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52278;MM52278;C=NN(CC#CC)C(=N)N;DNJVFLRBNQCZQY-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52279;MM52279;C=CC(CCF)C(N)=O;FTHMTGHLOCADFW-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52280;MM52280;CCCC(C#N)C(N)=O;JRZLXTBWVCJQFZ-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52281;MM52281;C=CC(CCO)C(=O)O;TXSBWJOGTSRUKD-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52282;MM52282;C=CC(N)=NNC(=O)CC;AQNBICFENGNZFN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52283;MM52283;COCC(C=O)C(C)=O;WDPORIFVGOWKNU-UHFFFAOYSA-N;130.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02916;MM02916;COCC(C#N)C(C)=O;JPNHLSWTBSILET-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52284;MM52284;CC(=N)NOC=NO;PPCKYXWZKWXZQG-UHFFFAOYSA-N;117.11;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52285;MM52285;C=C(C)N(C=O)CCO;OHXVWYCZQLBCLA-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52286;MM52286;C=CN(OCC)C(N)=O;ULRMNFMYUWFDSE-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52287;MM52287;C=C(C)C(C#N)CC=O;MCZCTOKBQPZGJJ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15664;MM15664;C=CC(CC#N)C(C)=O;BZCHFQOQMZMIBP-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15733;MM15733;CC(=O)C(C#N)CC=O;GFGFWFLIABGCLW-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15649;MM15649;CC(=O)C(C#N)CC#N;VQGQWACWUVXQIF-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52288;MM52288;C=CCC(C=O)C(N)=O;GNVMZGHQPAUDIG-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52289;MM52289;N#CCC(C=O)C(N)=O;UOAHMKGNXDNMNP-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15751;MM15751;C=C(F)C(C=O)CC=O;ULBPBROYFIHBNZ-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52290;MM52290;CN(C=N)C(=N)CC=NO;LGRKHKAOIZBXFC-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52291;MM52291;C=C(C)C(C#N)NC=O;WXHITEWSNKJTHN-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52292;MM52292;C=C(F)C(C#N)NC=O;SINPFKHCWPIPRH-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52293;MM52293;C#CC(O)(COC)C(=N)N;PHBFTBCOLPMSCF-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52294;MM52294;C=CC(N)=NNC(C)=O;JLTTVXXHEIEMGK-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52295;MM52295;C=COC(C=C)C(C)=O;NOIUYDRKRABSIO-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15806;MM15806;C=COC(C=O)C(C)=O;QZCDWRUJYIUJLW-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52296;MM52296;C=COC(C#N)C(N)=O;KBRNPKFWGMRYMW-UHFFFAOYSA-N;126.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52297;MM52297;N#CC(OC=O)C(N)=O;BGCMUOHKNBXLSR-UHFFFAOYSA-N;128.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52298;MM52298;CC=NOC(=NO)NN;NJVYVBXBXMEOIJ-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15947;MM15947;C=NOC(C#N)C(C)=O;ZMHXXCBFXZZHGX-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52299;MM52299;CC(C)=NOC(=NO)NN;OEIBOJYBSDUTBT-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52300;MM52300;C=CN(CC#N)C(C)=O;MQLAYZZXGCNNDQ-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52301;MM52301;CC(=O)N(C=O)CC#N;GPMWSUQVMLMHOT-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52302;MM52302;CCC=NOC(=NO)NN;KMQLAUCVLAKSCE-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52303;MM52303;C=CN(CC#N)C(N)=O;DESAVJFYZJBEKY-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52304;MM52304;COC(=O)NN=CC=CN;XPTYQFJKHZIMHS-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52305;MM52305;N#CCN(C=O)C(N)=O;NGTQWUHUYVMBJY-UHFFFAOYSA-N;127.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52306;MM52306;C=CNC(=NC)NC=O;HGKUWESLKKHNQM-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52307;MM52307;CNCCNN=CC#N;VLNHNMSMPGUWND-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52308;MM52308;C=CN(OC=O)C(C)=O;KBZBPMUHLBLESN-UHFFFAOYSA-N;129.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52309;MM52309;CC(=O)N(C=O)OC=O;OAFKAAVPHDAGCK-UHFFFAOYSA-N;131.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52310;MM52310;C#CC(N)=CC(C=C)=NO;JLHGHLJPHKKJFH-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52311;MM52311;NN=CN(N)C=NO;GIPAKUUDDJVFGO-UHFFFAOYSA-N;117.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52312;MM52312;C#CCN(C=C)C(N)=O;BXOGYEWQZBWFFH-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52313;MM52313;CC(C)(N)C#CC#CCO;CDFAKYRYKZVETL-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52314;MM52314;C#CC(O)C(C)(N)C=CF;XGOWXUAHUZZLKC-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52315;MM52315;C#CC(CCC)C(C)=O;RRUBGQSNPPGFFE-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52316;MM52316;C#CC(CCO)C(C)=O;AKDKECKJDSJGIY-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52317;MM52317;C#CC(CCC)C(N)=O;LXUIWKJEWTVBAB-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15892;MM15892;C#CC(COC)C(C)=O;JIOYPUCAEYVRIM-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52318;MM52318;C#CC(COC)C(N)=O;NQENIFWXVSSJSM-UHFFFAOYSA-N;127.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16471;MM16471;C#CC(COC)C(=O)O;BKDIAMFYTBAUQS-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52319;MM52319;CNCC(C)(O)C#CC=O;NCGCSBVHXZZAAF-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52320;MM52320;C#CC(OCC)C(N)=O;ROYYNCZVFBHJLZ-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethoxybut-3-ynoic Acid";MM03463;C#CC(OCC)C(=O)O;ZRANTFJGFPMPCD-UHFFFAOYSA-N;128.13;0.11;137955305;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15734;MM15734;C#CC(CC=O)C(C)=O;OUXKEVBAEFAOCJ-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52321;MM52321;C#CC(CC#N)C(N)=O;SOVQRNGKZQZQAU-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52322;MM52322;C#CC(CC=O)C(=O)O;RHLWKGJKSFXOLC-UHFFFAOYSA-N;126.11;-0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52323;MM52323;C#CC(NC=O)C(=C)C;WGEYVYNINGWHFA-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52324;MM52324;CNC(=NO)N(C)CC#N;UABZDHRSPOKLLG-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52325;MM52325;C#CC(NC=O)C(=C)F;GAOGCERHBKHSLE-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52326;MM52326;N=C(NO)ON=CCC=O;MCBUHHYQWNJCMY-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16369;MM16369;C#CC(OC=C)C(=O)O;IBJKJBYWGDKKBT-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52327;MM52327;CCNCC(O)C#CC#N;BKLNJUKOBSBGHG-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52328;MM52328;CN(N)C(=NO)C(=N)N;CFNHIFCXAPHCEE-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16248;MM16248;C#CC(ON=C)C(=O)O;LALLZJVERDNWIZ-UHFFFAOYSA-N;127.1;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52329;MM52329;C#CCC(C#C)C(N)=O;XVWFRPRHMBHZJJ-UHFFFAOYSA-N;121.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52330;MM52330;CC(C)=NOC(=N)NO;GGQSMWPNMXHNAH-UHFFFAOYSA-N;131.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52331;MM52331;C=CC=NOC(=N)NO;QGPNACUYUHENJV-UHFFFAOYSA-N;129.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15447;MM15447;CC(C)C(C=NO)CF;PNEBZQBAUIJEES-UHFFFAOYSA-N;133.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52332;MM52332;C=C(C)C=NOC(=N)NO;NZACQEUZTJJPJE-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52333;MM52333;C=CCC=NOC(=N)NO;XAVPXMILDJPLII-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52334;MM52334;C=CNC(=O)C(CC)NC;UMRFGZOQMQJECP-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52335;MM52335;CC=C(NC(=N)CO)OC;ZAZPPSKSSCFCCP-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52336;MM52336;C#CCN(C=C)C(=N)CO;RVLFJGNMDMMCSS-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52337;MM52337;N#CCC=NOC(=N)NO;KNKWPJAOQRGFRU-UHFFFAOYSA-N;142.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52338;MM52338;COC=NNC(=N)NC=N;PDJSIJWIWINSDG-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52339;MM52339;CON(C=NO)C(C)C;RRRDMBPNAMCYHO-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52340;MM52340;CC(C)C(C=O)C=CF;IGHJPQQBMHPZGS-UHFFFAOYSA-N;130.16;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52341;MM52341;CC=CC(C=O)C(C)O;YPPSYJURMNRYLX-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52342;MM52342;CC(O)C(C=O)C=CF;LCVBIWWGVSIPGL-UHFFFAOYSA-N;132.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52343;MM52343;CC(C)C(C=O)C=NO;GICMRYAOTWGDIR-UHFFFAOYSA-N;129.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52344;MM52344;CC(F)C(C=O)C=NO;UEJPTZOBAFJFOM-UHFFFAOYSA-N;133.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52345;MM52345;C#CCC=NOC(=N)NO;QKYAOCAKPDQUAJ-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52346;MM52346;CC=CC=NOC(=N)NO;JHEVIHKOARXCAA-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52347;MM52347;C=NNC(C)C(O)CCC;XLNQCXVDULOGJZ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52348;MM52348;CN(C=O)N=C(NN)NO;AHEKVYWFUPDECL-UHFFFAOYSA-N;147.14;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52349;MM52349;C=CC(C)N(O)C=NNC;WFGBNBWBZWSBKH-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52350;MM52350;C#CC(C=NO)C(C)O;OWHSHPXKOOWPRT-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52351;MM52351;C#CC(C=NO)N(C)C;PTLLZRJJRZWGRA-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52352;MM52352;CC=CC(CO)C(C)=O;FAIKHFLUWFYHFD-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52353;MM52353;C=CN=C(C=NOC)NO;UUGOYEGKPTYYJB-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52354;MM52354;C=NNC(C)C(C)(C)CO;URCZWTFDMQSVGV-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52355;MM52355;C=C(C)C(C=NO)CO;UZPMWSBODDDZOA-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52356;MM52356;CC(=O)C(C=NO)CF;VADXWCFXAVSASD-UHFFFAOYSA-N;133.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16531;MM16531;CCC(C=NO)C(=O)O;WVMRBKYUMDSSMO-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52357;MM52357;C#CCC(=O)C(N)=NCC;UPWZXXAYAQYLHL-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52358;MM52358;C=NNC(CCO)C(C)C;VGEHYQKVYIBYMH-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52359;MM52359;C=C(F)C(C=NO)NC;NLWSARFUMDIGMC-UHFFFAOYSA-N;132.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52360;MM52360;CC=CC(OC)C(N)=O;KFBGCCLEWOLYSE-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52361;MM52361;CN=CNC(=NC)N(C)O;GJTNFRGFDFFONL-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52362;MM52362;CCON=CN(N)C=NN;JFTIWLXREJDGMF-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52363;MM52363;C#CC(=O)C(=N)NCC=C;XUDKPIMDPVJCJO-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52364;MM52364;CON(C=CF)C(N)=O;BKLKJWOASRGYQQ-UHFFFAOYSA-N;134.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52365;MM52365;C=NOC(=NOC)NN;PRUKDEXUQNYLAW-UHFFFAOYSA-N;132.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52366;MM52366;CON(C=NN)C(N)=O;JMENXCAMVFWBBH-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52367;MM52367;CON(C=NO)C(N)=O;XIYBFMGGBBCRRC-UHFFFAOYSA-N;133.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52368;MM52368;CC=NOC(=NOC)NN;YXVUNRYWZQJYSK-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52369;MM52369;C=NOC(=NOCC)NN;GYQMOCUNAOHSAI-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15635;MM15635;CC(=O)C(C#N)C=CF;USWJMXCDNGIMKZ-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52370;MM52370;CC(=NC=O)N(N)C=NO;CEHFZMKMFZESOF-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52371;MM52371;CC=CC(C#N)C(N)=O;CXHYUPGIYOXVCM-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52372;MM52372;CC(=O)C(C#N)C=NO;ZYQHKSBNYJIXNH-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52373;MM52373;C=CN(C=CC)C(N)=O;NYBJPBWJRHKTNK-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52374;MM52374;CC=CN(C=O)C(N)=O;KQUZUBTWEORLGJ-UHFFFAOYSA-N;128.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52375;MM52375;N#CC(C=O)N(O)C=N;NKSHFMXEKNWWSS-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52376;MM52376;C=CC(C#N)(NC)C(C)O;CLFOCZZMPCZPGG-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52377;MM52377;N=CN(O)C(=N)C=O;JBGKZICSAKTKRF-UHFFFAOYSA-N;115.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52378;MM52378;CC=NN(C=O)C(N)=O;LIKXWSRTSLTINC-UHFFFAOYSA-N;129.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52379;MM52379;CNC(=O)C(=N)NO;DQMRGSWXCVMJRV-UHFFFAOYSA-N;117.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52380;MM52380;CC#CC(CO)C(C)=O;UCBDHJAKMGAHHJ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16461;MM16461;CC#CC(CO)C(=O)O;UCHKLIYBKCEXGE-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52381;MM52381;C#CC(C)(CO)CN(C)C;BHTRIODVCBUUIJ-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52382;MM52382;CC#CC(OC)C(N)=O;LXLIZIQLFDIKNN-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52383;MM52383;CC#CC(C=O)C(N)=O;FBGXKNUHKQFDMH-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52384;MM52384;CC#CC(C#N)C(N)=O;YZSPRZVYUSYHTE-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52385;MM52385;CC(O)C(=CF)CCO;KAIHIPFHQJFQFT-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52386;MM52386;C=NNC(C)C(C)(O)CC;CJWBMTMSPAPBEJ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52387;MM52387;CN=C(NO)C(C)(C)CN;WNWVDCIZIQZZNI-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52388;MM52388;CC(CF)=NOC(=N)NO;VHLLTEWPINHURP-UHFFFAOYSA-N;149.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52389;MM52389;C=CC(C)=NOC(=N)NO;SXHTYJRRMYIJGI-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52390;MM52390;CC(F)C(CCO)=NO;NJTFVGYUFMFOLL-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52391;MM52391;CC#CC(=NNCC)NO;KCUPTXVSPYBFKE-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52392;MM52392;C=NNC(CO)C(C)(C)C;APHNSWUBTDISEL-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52393;MM52393;CC=C(CO)C(C#N)NC;FVCAUTFYUVRETF-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52394;MM52394;C#CC(=O)C=NNC(=N)N;KVVVJBGEHDDYCF-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52395;MM52395;C=NNC(C)(C)CC(C)O;VGMQVORLNNOSIL-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52396;MM52396;C=NNC(C)(CC)CCO;ZRPWAYBBRTYVEF-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52397;MM52397;C=NNC(C)(C)CCCO;HBAWVUWQWAKYQL-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52398;MM52398;CC(CC=O)=NN=CN;DYBYCDXYLVVHSC-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52399;MM52399;CN=C(N)C(=O)ONC=O;DTKIMPGYNJZIAW-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52400;MM52400;C#CC(C#CC(C)N)CO;KIWUAPPSWHCYDV-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52401;MM52401;C=NN=C(NO)NOC;ZLGXHJAKSAIXDQ-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52402;MM52402;CC#CCC(N)CNC=O;CUPOBFWCRKMSEA-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52403;MM52403;C=CCCC(NC)C(N)=O;DIUXACFHUFFHIJ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52404;MM52404;CC(CC=O)N(C)C=NO;VDJVSCLSKBYVJV-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52405;MM52405;CC(=NO)NC(C)(C)CO;YTILCCVXYJRZBL-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52406;MM52406;CN(C)C(C)(C)CNC=O;DXRHIKPNJDTDGL-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52407;MM52407;C=C(C(N)=O)C(C)(N)CC;DDKKZNQAINVXMV-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52408;MM52408;C=NNC(C)(C)C(O)CC;HYETURGAJIBCSM-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52409;MM52409;CC(NC=N)=C(C#N)C#N;HDBQOQBMKYDZNM-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52410;MM52410;C#CCN(O)C(C)=NN;FCXLTEYHAICYSI-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52411;MM52411;N=C(NO)ON=CC=O;ZIEZSBZSJUJOMM-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52412;MM52412;CN(O)C(CCO)=NO;JQPZFAURMZUMOQ-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52413;MM52413;CC(=O)C=NOC(=N)NO;PGUFCENQORTOIA-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52414;MM52414;CC(C=O)C(C)N(C)C;KMTYOQGMIUNAOM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52415;MM52415;COCC(=NO)N(C)C;WITKLWFJLJTTAX-UHFFFAOYSA-N;132.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52416;MM52416;CC(C=O)=NOC(=N)NO;BHYJIYOUNSVLQG-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52417;MM52417;C=NNC(C)(CC)C(C)O;PBMNYJWQQKHYJZ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52418;MM52418;C#CC(C)NN=CN(C)C;COEFYNJFGSFFPH-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52419;MM52419;C=NNC(C)(CO)C(C)C;SDQDUDDLZYJYCP-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52420;MM52420;CC=C(CO)CNCC#N;JMGVZMFJTSHAID-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52421;MM52421;CN=C(N)C=C(F)C(C)=O;NTOKYZSXXKUPQF-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52422;MM52422;C=NNCCC(O)CC;BHHQDLFBGHBIMU-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52423;MM52423;CNCC(C)=C(F)C(C)=O;ACIFFEBFEZGRQE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52424;MM52424;CCN(C)C=NN;ZMJNQLXJBDXDPJ-UHFFFAOYSA-N;101.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52425;MM52425;CNC(CC=NOC)=NN;WUQHCWPQVYLGHM-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52426;MM52426;C=NNCC(CC)CO;LQFNZRLJQDYENO-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52427;MM52427;CC#CC(=N)NN=COC;XSXJRCMBPQQDSU-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52428;MM52428;N#CC(=CN)NC(=N)CF;RPPQNPYLCRVSTG-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52429;MM52429;C#CC(=O)C(C)N=CN;YBOOQESCQBQGJW-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52430;MM52430;CN(OC(=N)N)C(=N)N;RATKXAVHUMAFCH-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52431;MM52431;N#CCONC(=N)CCF;SOVUCABEFSNUAO-UHFFFAOYSA-N;145.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52432;MM52432;CCON(C=NN)CCF;IQZXVXMWDOXWAQ-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52433;MM52433;CCOC(=NO)N(C)O;UHVFTLDSNCTNIX-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52434;MM52434;CC(O)C(=CF)CC=O;ACRNKKDTKSNYLZ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52435;MM52435;CC(C)C(CC=O)=NO;DXCBUMLJPNLXQJ-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52436;MM52436;CC(C)C(CC#N)=NO;DWLMBBVSDVCVML-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52437;MM52437;CC(F)C(CC#N)=NO;MWRQEMCDVJFKQD-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16087;MM16087;N#CCC(=NO)C(F)F;HMNLVZPHNCRHHW-UHFFFAOYSA-N;134.09;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52438;MM52438;C=CCNC(CF)=NN;QKLUMHLWLACFGN-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52439;MM52439;C=NN=CN(C)C=NN;ZUNRXKWGDZSMOH-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52440;MM52440;N#CCONC=N;VXCFFKCJKCFKPO-UHFFFAOYSA-N;99.09;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52441;MM52441;CN(C)C=NN=C(N)C=O;SMTAKRBUFPRXTD-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52442;MM52442;C=NOCON=CC=NN;RYEIEFNTXGXFLT-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52443;MM52443;C=NN=CC(=CNN)OC;HWLBBKPTYYBBNX-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52444;MM52444;CNCCNN=CCC#N;AGNYMLROKFWCKC-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52445;MM52445;C=NNC(C)C#CC(C)N;WWERFOPRZSVUGZ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52446;MM52446;CN=C(NC=O)C(F)F;BEQOYBDDFFIVRQ-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52447;MM52447;N#CC=NOC(=N)NO;APSITSRPQZFIEO-UHFFFAOYSA-N;128.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52448;MM52448;CN(C=NN)C=NO;AUSSXPPORFVHQY-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52449;MM52449;CNN=CNC(=NO)NO;BXELBZVFCVRBEO-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52450;MM52450;C=C(CO)N(C)C(C)=NO;FOPQRRUXJVLZMF-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52451;MM52451;CC(O)(C=O)C=NN=CN;ILHWLBPJQQHTBB-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16390;MM16390;C=NNC(=NO)C(F)F;CAXKBXWPKJFQOQ-UHFFFAOYSA-N;137.09;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52452;MM52452;C=C(NC=N)OC=NO;ZTOBTFMTHQBJFX-UHFFFAOYSA-N;129.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52453;MM52453;C=NOC(=NO)C(C)O;XFYPJYHMRHLPMW-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52454;MM52454;C=CNC(=NCC)NC=O;FNAMWCRROZTOSS-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52455;MM52455;CN(C)C(CC#N)=NO;AZOJWAJSTKGQAZ-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52456;MM52456;C=CCN=C(NC)NC=O;VLGUEPADXYUFAL-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52457;MM52457;NC=NN=CC(O)C=O;LUQPMZMVYMGDHR-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52458;MM52458;C=CCC(=NO)N(C)O;JKKVNVSXMVFAGJ-UHFFFAOYSA-N;130.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52459;MM52459;C#CCN(O)C(=N)OC;UFFZZNKXYFAZJA-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52460;MM52460;C#CC=NOC(=N)NO;BCZAEKOKPDYQTA-UHFFFAOYSA-N;127.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52461;MM52461;CN(C)C=NCC#N;NWYJIMZYZKAACO-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52462;MM52462;C#CC(C)=NOC(=N)NO;DOXKHFFBINXGBC-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52463;MM52463;CC#CC=NOC(=N)NO;HVHHXEBCBCPDSK-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52464;MM52464;CN=C(C#CC#N)N(C)O;MWCBCSYOVLLEMG-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52465;MM52465;COC(=NN=CNO)NN;CDIBLMHIPJFDSW-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52466;MM52466;CC(C(=N)NO)C(O)C#N;LCHVUCVEMZDZHV-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52467;MM52467;C=NNC(C)C(C)CO;ZVXBQOVYOGFIED-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52468;MM52468;C=NNC(C)CC(C)O;UJSYPPLZQWCXPT-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52469;MM52469;CNC(=O)N(NC)C(C)C;VOHPMRHNROIWHQ-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52470;MM52470;CNCC#CC(C)C#N;ZKOIFQFPOWZUGO-UHFFFAOYSA-N;122.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52471;MM52471;C=C(F)C#CC(O)CNC;JFCAXKIBSPMDFU-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52472;MM52472;CC=C(F)C#CC(O)CN;WEMUVZNRDQMPGR-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52473;MM52473;CCC(C)N(NC)C(N)=O;AGNQVKNBXIBDGO-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52474;MM52474;NCC(O)C#CC#CCF;RRFFJIBSOLNMHT-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52475;MM52475;CN(C)C(=NO)OC=O;TUKNEMHNTPHQLE-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52476;MM52476;C#CC#CC(O)CN;ATFCCJNKFWXFFU-UHFFFAOYSA-N;109.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52477;MM52477;C#CC(C)(N)CC#CCO;BRTWQFJTRPWQOC-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52478;MM52478;C=NOC(=NO)N(C)C;DQQXMSLQOLBLPY-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52479;MM52479;CC=NN=CN(C)C=NN;GDYAODZNNRVOQQ-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52480;MM52480;COC(=O)C(=CNN)N=O;STOUNTMHYFYXGF-UHFFFAOYSA-N;145.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52481;MM52481;CN(C)C(CF)=NC=NN;JHCYQNNDRLDTAQ-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52482;MM52482;C=NOC(=NO)N(C)O;DIEAKPRKFBXSQK-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52483;MM52483;CNC(=NC=NOC)OC;JPXBMLYEQNWFIU-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52484;MM52484;CCC(NC=N)=C(F)CO;KLNPXRVNPLAFJW-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52485;MM52485;C#CC(=O)N(C)N=C(C)N;WPFTVEILYRRWGB-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52486;MM52486;CC(C)(N)C(C)(F)CO;AOTXHBWTLPKMGG-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52487;MM52487;C#CCC(=NO)N(C)O;HAMBUXVUSCYGRZ-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52488;MM52488;CC(=O)C(=CN)CCF;MGIFPSJKLUTAJF-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52489;MM52489;CC(=O)C(=CF)CCO;WVHHHKPRNNMOFR-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52490;MM52490;COC(N)=CC=NNC=O;SJJAXCKTWXKZIP-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52491;MM52491;CC=C(CCF)C(=O)O;FXFXPVPYNFNPAO-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(aminomethylidene)pentanoic Acid";MM03323;CCCC(=CN)C(=O)O;VQOWPLXXJAAXGH-UHFFFAOYSA-N;129.16;0.71;88472850;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52492;MM52492;NC=C(CCF)C(=O)O;QDWQPPOFFOOQDL-UHFFFAOYSA-N;133.12;0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52493;MM52493;C=C(C)C(CCO)=NO;BLNHWBHUVKBJNO-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52494;MM52494;N#CC=NNC=NCCO;QDPMNXVXDKKXGQ-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52495;MM52495;CNC(C#N)(CO)CO;MSKGPLLADOYUQZ-UHFFFAOYSA-N;130.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52496;MM52496;COCC(=NO)C(C)=O;NYBLLFILJUYTIS-UHFFFAOYSA-N;131.13;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52497;MM52497;CC(C#N)=NOC(=N)NO;XJWTZIFKGLOHER-UHFFFAOYSA-N;142.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52498;MM52498;C=NNC(C)C(O)CC;ZCOPNOFOZOVNKS-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52499;MM52499;C=NNC(C)C(C)(C)O;RZPYKRMKAVOXLV-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16374;MM16374;CCN=C(NC)C(=O)O;YSXNITXSHZAPCG-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52500;MM52500;CCN=C(NO)C(=O)O;TYNPHAFBVQQUNO-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52501;MM52501;C=NNC(CC)C(C)O;UKOVBGHJYXRDGC-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52502;MM52502;C=NNC(CO)C(C)C;GFHWEDHORFJGIA-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52503;MM52503;C=NNC(CO)CCC;QPISHTQMXARMNN-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52504;MM52504;CC(=O)C(F)C=NN=CN;GFPQBOWOFNGPPC-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52505;MM52505;NN=CC(N=CNO)=NN;FRBCQPXIRVCMEP-UHFFFAOYSA-N;144.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52506;MM52506;C=NNC(C)(C)CCO;JONDLLDWJCYGMO-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52507;MM52507;CC(F)(C=O)C=NN=CN;ASTNDBODXBMZBM-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52508;MM52508;CNC(=NOC)C(=O)O;HITDYMYYIYKSBK-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52509;MM52509;CON=C(NN)C(=O)O;VLIPQCXJALEZAW-UHFFFAOYSA-N;133.11;-1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16282;MM16282;CCOC(=CN)C(=O)O;HAUVMIFODPUZPX-UHFFFAOYSA-N;131.13;-0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52510;MM52510;CCC(C#N)=NN=CNC;ILPSKQZZZWIVQF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52511;MM52511;CCOC(=NN)C(N)=O;QXOUUDGMMPSUHZ-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52512;MM52512;CCOC(=NN)C(=O)O;UJXDQKKFHITLHU-UHFFFAOYSA-N;132.12;-0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16302;MM16302;CCOC(=NO)C(=O)O;KVIFITLKFPOCTK-UHFFFAOYSA-N;133.1;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52513;MM52513;CC(=O)C(=CN)CC=O;CVALVLCRWGRHLV-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52514;MM52514;CC(=O)C(=CN)CC#N;RBKQPJCGQLRTTJ-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52515;MM52515;CCC(C)NNC(=N)C#N;SODHABWUUDDDCF-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52516;MM52516;N#CCC(=CN)C(=O)O;WYEOZEOHSQIIRP-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52517;MM52517;CC(=O)C(CC#N)=NO;QLEVTTPYBOSQDN-UHFFFAOYSA-N;126.12;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-hydroxyiminopent-4-enoic Acid";MM03512;C=CCC(=NO)C(=O)O;ZLROREGENMIMGL-UHFFFAOYSA-N;129.12;0.48;73682729;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52518;MM52518;CC=C(NC=O)C(C)=O;AMRJCJTYUQUMAA-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52519;MM52519;C=C(C=O)C(C=NO)=CN;URMDMBPTOIIROM-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52520;MM52520;CC(=O)C(=CF)NC=O;SHGJPJMETLZDKD-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52521;MM52521;C=C(C#N)NC(=O)NC=N;YHJMMEAWZHMTDX-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52522;MM52522;NC=C(NC=O)C(N)=O;WYIHHHWDRGVTCD-UHFFFAOYSA-N;129.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16456;MM16456;CC=C(NC=O)C(=O)O;GKVSBFCWMPCUQR-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52523;MM52523;NC=C(NC=O)C(=O)O;OQRBLXTZLIJLFU-UHFFFAOYSA-N;130.1;-1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52524;MM52524;O=CNC(=CF)C(=O)O;HOSDXMUDCVOBMT-UHFFFAOYSA-N;133.08;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52525;MM52525;CC(=O)C(=NO)NC=O;RNNSYFRGVXSURX-UHFFFAOYSA-N;130.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52526;MM52526;C#CC(=C)NC(=NO)NO;JITZSGMYDBTSMQ-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52527;MM52527;CC(C)=NN=C(NO)NO;MQTFLFSSGYILHN-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52528;MM52528;C#CC(=N)N(C)N=CC#N;KRTQKKGRJWWCMO-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52529;MM52529;CC#CC(O)CNCC#N;XKRMVQGILNLPHE-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52530;MM52530;CON=C(NO)NOC;LMLBFMOYWMTPQR-UHFFFAOYSA-N;135.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52531;MM52531;CC(F)=C(C#N)N(O)C=N;HZZHJOCSXMJFBO-UHFFFAOYSA-N;143.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52532;MM52532;C#CC(=C)N(O)C=NNC;SCEJSUCYHCBRRX-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52533;MM52533;NC(=O)C(=NO)NC=O;OZYKKFHTEBXBTN-UHFFFAOYSA-N;131.09;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(ethenylamino)-2-methyliminoacetic Acid";MM03643;C=CNC(=NC)C(=O)O;XQPZPVCHWYAPOL-UHFFFAOYSA-N;128.13;-0.17;143488916;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52534;MM52534;C=CNC(=NN)C(=O)O;UQKNUCSWEHOSQL-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52535;MM52535;NN=C(NC=O)C(=O)O;HOKOOKRBPXUTMY-UHFFFAOYSA-N;131.09;-1.91;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52536;MM52536;C=CNC(=NO)C(=O)O;LRBCUTKCGANMPW-UHFFFAOYSA-N;130.1;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52537;MM52537;O=CNC(=NO)C(=O)O;XVBVKDORXLGDKB-UHFFFAOYSA-N;132.08;-1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52538;MM52538;C=C(F)C(=NN)NC=O;MRVHOMOIXNAERV-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52539;MM52539;C#CCN(O)C(=N)OCC;MWLJHULNOHOAPN-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52540;MM52540;C=NNC(C)(C)C(C)O;GVCBLLNZVVOHFT-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52541;MM52541;N=CNC(=NC=O)NC=N;XDDCCTKCWXELHO-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52542;MM52542;CON=C(C)NO;MVACZCLIZKLLLD-UHFFFAOYSA-N;104.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52543;MM52543;CN=C(C(C)O)N(C)N;ZGZVHSCYIASWOD-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52544;MM52544;CC(C)C(C)(N)C#CCO;MMYWXSVNYXEBIX-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52545;MM52545;C=COC(=CN)C(N)=O;JFPWYMLUNHIAOR-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52546;MM52546;C=COC(=CF)C(N)=O;JGAMQIAHBDJMCC-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16255;MM16255;C=COC(=CN)C(=O)O;QGUARGPQPBXFQE-UHFFFAOYSA-N;129.12;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52547;MM52547;CCC(=NOC)NO;IVBRJZMUWWUBAL-UHFFFAOYSA-N;118.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52548;MM52548;CNN=C(C=O)C(=N)NO;UGXUIARMWSIUPE-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52549;MM52549;C=COC(=NN)C(N)=O;KVZUCPCVAZHIID-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52550;MM52550;C=COC(=NO)C(N)=O;PQWVWTTZOFBLDZ-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16326;MM16326;C=COC(=NN)C(=O)O;XRIVIZFAAHWOHI-UHFFFAOYSA-N;130.1;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16269;MM16269;C=COC(=NO)C(=O)O;SUZCCGSTBVKVLQ-UHFFFAOYSA-N;131.09;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52551;MM52551;C=NOC(=NO)C(C)=O;VOXMBXXQHLVDIC-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52552;MM52552;CNC(=O)C(=NN)N(C)C;OEFJKAWKGGHNHI-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52553;MM52553;C=NN(C)CCC(O)CC;TVIZCEFRSCUOCH-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52554;MM52554;C=NOC(=NN)C(=O)O;QEILAYWNLMKFNA-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52555;MM52555;C#CCC(=CN)C(C)=O;LXZQGPQOTPQTEY-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52556;MM52556;C=NN(C)CC(C)C(C)O;FQRFRCRGLXQSRL-UHFFFAOYSA-N;144.22;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52557;MM52557;C#CCC(=NO)C(C)=O;YUHIBNJZISOAGH-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52558;MM52558;C#CCC(=NN)C(=O)O;DTRPYOLWJYKHFI-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52559;MM52559;CN(C=N)C(=N)CO;KJENWTVMUMRYPX-UHFFFAOYSA-N;115.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52560;MM52560;CC(O)C(C=NO)=CF;INEAXMSBOOZKNF-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52561;MM52561;NC=C(C=NO)C(F)F;QFZMBPMUQCVVDO-UHFFFAOYSA-N;136.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52562;MM52562;CC(O)C(C=NO)=NO;UMHVLQPKCKAIFT-UHFFFAOYSA-N;132.12;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03067;MM03067;ON=CC(=NO)C(F)F;ZXIRAHVKWXREHG-UHFFFAOYSA-N;138.07;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52563;MM52563;CC1(C)C(N)C1O;VHELRRJRAUKART-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52564;MM52564;CNN=C(CO)C(=N)NC;HFNYYVSPABEYEC-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52565;MM52565;CNN=C(C)N=CN(C)O;STWDHWMFSBKEDE-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52566;MM52566;C=NN(C)CCC(C)(C)O;OVNIAKBKOXCINP-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52567;MM52567;C=NNC=C(F)C=NNC;GQLSTSPVGOJUKM-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52568;MM52568;C=CCC(=NN)NOC=O;UTWWRZMUNDVCAJ-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52569;MM52569;CCON=CN(C)C=NN;ZFXJUCBCZYJIOT-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52570;MM52570;C=NNC(=N)C(=N)NN=C;UJXCMFUEACNZCU-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52571;MM52571;CC=CC(=NO)N(C)O;PIXSDNOKBRKABN-UHFFFAOYSA-N;130.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52572;MM52572;C=NN=CN(N)C=NO;WOIYLIMHHSZQHN-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52573;MM52573;CC=NN=CN(N)C=NO;YKSZPROJLVSSCE-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52574;MM52574;C=NN=C(NOC)N(C)O;PVIPNECFFUROOI-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52575;MM52575;CN(C)C(C=NN)=NO;IZLTWZCEXLGONL-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52576;MM52576;CN(C)C(C=NO)=NO;KWTDVPJXQBGYBV-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52577;MM52577;CNC(=CC#N)NC=O;NKFJMALIGSPMRV-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52578;MM52578;N#CCCN(O)C(=N)N;OCQUGEYSHPMMEA-UHFFFAOYSA-N;128.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52579;MM52579;C=C(NC=O)NC(=N)C#N;LMCFPFPOHYNGMJ-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52580;MM52580;CCC(=N)N(O)CCC#N;RRWWVVPVBOULDF-UHFFFAOYSA-N;141.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52581;MM52581;N=C(C=C(N)CO)NO;INAAHHJTZFSYIB-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52582;MM52582;CC=C(C=NO)C(N)=O;FRKVJYXTRQKMDQ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16474;MM16474;CC=C(C=NO)C(=O)O;GOEOLPCZDJPWPW-UHFFFAOYSA-N;129.12;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16400;MM16400;NN=CC(=CF)C(=O)O;GANJQMDFCSGFSW-UHFFFAOYSA-N;132.09;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16351;MM16351;O=C(O)C(C=NO)=CF;NIRWTKDJBSTSJI-UHFFFAOYSA-N;133.08;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16472;MM16472;CC=CC(=NN)C(=O)O;SGZYJUMIPHNNIR-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52583;MM52583;C=NNC(=N)C#CCO;SIWVNDJVHSYMHK-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52584;MM52584;C=CC=CC(=N)N(C)O;FSURBDGKOURVAI-UHFFFAOYSA-N;126.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52585;MM52585;CNC(=N)C(C#N)=CCO;SYAGFUHWPUWDEA-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52586;MM52586;C#CC(C)(N)CC(C)O;IWAYFKZMKLPWEQ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52587;MM52587;C=C(C)N(O)C=NC=NN;OFVJLIWCZBEIFY-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52588;MM52588;CC#CC(=NO)N(C)O;OAXNXQGISNQVIH-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52589;MM52589;CC(O)CC(C)(N)C(C)F;MTOVFMILNDXFQP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52590;MM52590;O=CC#CCCNCCO;PIPAVBRPVZEXTC-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52591;MM52591;CN(CCCO)CCCO;PZWOAAMXFPKLPM-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52592;MM52592;CC#CC(=NO)C(N)=O;LILMNUUKZXMNNC-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16319;MM16319;CC#CC(=NN)C(=O)O;ROQHOLPYHPJBPN-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16257;MM16257;CC#CC(=NO)C(=O)O;FATFXPSMIPFLDF-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52593;MM52593;C#CC(CCC(C)O)NC;ZZLADJINHCMCPN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52594;MM52594;C#CC(C=O)=NNC(=N)N;SCMKDGBZFSXOMA-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52595;MM52595;CC(O)C(=CCF)CO;AYQXSJNMBXCFKQ-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52596;MM52596;COC(=CCCO)C(C)N;OTDXBFSGXTWCBE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52597;MM52597;CC(O)C(=CCO)CF;GKBSAKOAHYOITR-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52598;MM52598;COC=C(CO)C(C)O;PCMULVZRDYTWRP-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52599;MM52599;COC=NOC(=N)NO;PKJULJWRFJETHP-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52600;MM52600;COC(=CCO)C(C)O;KKIOREPZVMJWAM-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52601;MM52601;COC(=CCO)C(F)F;VDPLPBBBJPIIHO-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52602;MM52602;COC=C(OC)C(C)O;PCJGFBOBBMTIRI-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52603;MM52603;C=COC=NOC(=N)NO;VCAOMNMTTOOYBP-UHFFFAOYSA-N;145.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52604;MM52604;CNCC(C#CC#N)C=O;YOBJFCJNZATKJT-UHFFFAOYSA-N;136.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52605;MM52605;CCC(=NNC(=N)N)OC;QBDNWWBVRGVFAK-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52606;MM52606;COC(C)=NNC(=N)N;ZYTRJCWPPHYOEO-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52607;MM52607;CON=C(CO)C(F)F;AGLQKTGCYMQYJE-UHFFFAOYSA-N;139.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52608;MM52608;C=CC(O)C(C)CNN=C;CZAYALSSJABYBK-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52609;MM52609;C=NOC(C=O)OC(=N)N;VANCXQGKABYZLS-UHFFFAOYSA-N;145.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52610;MM52610;C=NNCCC(O)C(=C)C;CHHGHQNRRJQJIK-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52611;MM52611;CON=C(OC)C(C)O;ZNHMCPSNTYUKHZ-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52612;MM52612;C#CCON=C(N)NC=N;HLKUTYBMIWHVMY-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52613;MM52613;CC=CC(CN)C(N)=O;PQGBMLSNSNMWDT-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52614;MM52614;CC(O)C(=CC#N)N(C)C;GWWGFIIXYJGQLA-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52615;MM52615;C=CC(C)(O)CCNN=C;DIWCGNKHTPZNNV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52616;MM52616;C=NNCCC(=C)C(C)O;FRGSSSARCAEKFF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52617;MM52617;CC(C)=CC(CN)C(N)=O;ZGLIQDPVUMOMKC-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52618;MM52618;C=CC(C)(CO)CNN=C;CZNJOKIXJJWYAI-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52619;MM52619;CC#CCN=C(N)C(N)=O;RRXIZYKJKBONEZ-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52620;MM52620;C=CC(CO)CCNN=C;SXWKZSSOCGILPC-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52621;MM52621;C=NNCCC(C)O;WHGYADWSAQMWGC-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52622;MM52622;C=NN(CC)CCC(C)O;PJLSNQUCPLUMHN-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52623;MM52623;CCC=CC(CN)C(N)=O;VWDZFMFOHOJCIT-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52624;MM52624;C#CC=NNC(=N)N(C)N;NEEPUOZLYONOMU-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52625;MM52625;C=C(C)C(C)(N)CC(N)=O;AIDNRLBVUHTMPI-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52626;MM52626;CN(C)C=NNCC#N;RRICGHGHGRNTDG-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52627;MM52627;C=CC(CCO)CNN=C;FYZBOHKIRDNMJJ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52628;MM52628;CNN(C(N)=O)C(C)C;QRZBDRIUUFXEDQ-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52629;MM52629;CN=C(NOC=O)N(C)N;DZKCUYYCYVAKHG-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52630;MM52630;NCC#CC(F)C(F)CN;IALMSBUBYLJAFD-UHFFFAOYSA-N;148.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52631;MM52631;C=CC(=N)NC(CC)=NN;LXKBADIXOYNSNP-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52632;MM52632;C=NNCCCC(=C)CO;PYKLJIMSRJOOHO-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52633;MM52633;C#CC(=C)N(C=NN)OC;FQQWLBCFKYPCGB-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52634;MM52634;C=NN=CONC=NN;NDFOUDYKHNNJPG-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52635;MM52635;C#CC(C=NNC)=NOC;YAPQPIWCLOVFOR-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52636;MM52636;C=NNC(=N)C#CCOC;IWFZJIWZBXGCHW-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52637;MM52637;NC(=CC=NO)N(N)C=O;LTSPIDHMOXBWMJ-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52638;MM52638;CNN=CNC(=O)NC=N;SUPGEYJIMYZTHD-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52639;MM52639;N#CC=CC(=N)NC(N)=O;MEZYWIPGTYRPHW-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52640;MM52640;COC(=CC#N)C(C)O;VTIAMVVPSAVYBC-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52641;MM52641;CN=C(C)NOC(C)C#N;MBYBVHOXJQQEJG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52642;MM52642;C=NN=C(CO)C(C)O;BAJFZXCIVXNHRK-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52643;MM52643;C=NN=C(CO)C(F)F;ATUZYYXKTWCAGW-UHFFFAOYSA-N;136.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52644;MM52644;C=NNC(=NO)C(C)O;MCQFRBXMXWBCSH-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52645;MM52645;C=NN=C(OC)C(C)O;JVAGGFPMDKDKRF-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52646;MM52646;C#CC(CF)CNC=NO;XENKSFYTYRCKQQ-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52647;MM52647;CC(C#N)C(C#N)NC=N;GJUWIAWEFGLAFV-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52648;MM52648;CCC(=NC=O)N(C)O;WPMFBCVLSDUBCF-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52649;MM52649;C=NNCC#CC(C)N;JGPJJIIABZAQAH-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52650;MM52650;CN(O)C(CO)=NC=O;YDTBHIJBDXBEFX-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52651;MM52651;CNC(=NO)N(C)C=O;WHHVNHVOUDZBMB-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52652;MM52652;CN(O)C(CF)=NC=O;GMZZWRDMWPJTBT-UHFFFAOYSA-N;134.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52653;MM52653;C=CC(O)(CC)CNN=C;GABWRFGYYICWBT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52654;MM52654;C=NNCC(C)(O)C(=C)C;DVYNECBUHIMTDW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52655;MM52655;C=CCNC(C)(C#N)CO;APDJTIPLXQOWDR-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52656;MM52656;NC=NN=C(CO)CC=O;BCPXRORWZLYRIL-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52657;MM52657;C=NN=C(CF)N(C)O;RHGWFCMQTQLEKT-UHFFFAOYSA-N;133.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52658;MM52658;C#CCC(C)(F)CNC;WZWPPUJNCIIBCO-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52659;MM52659;COC(C)=NOC(=N)NO;ZMWZNOQIDVTESW-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52660;MM52660;N=CNC(=N)C=C(N)C=O;RKVOKDINSBTFJO-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52661;MM52661;N#CCC=NOCC(=N)N;HSOQKGMWNJIOLW-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52662;MM52662;CC(CC=NO)N=CNN;IOAVQFOMUJNWPX-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52663;MM52663;NC(CF)CC=CC=NO;CMBYMWNIAFOXEC-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52664;MM52664;CC(ON=CC#N)C(=N)N;JQKXRCLYGBYHQG-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52665;MM52665;N#CCCC(=O)NC(=N)N;QCUFTHAXZPAUFS-UHFFFAOYSA-N;140.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52666;MM52666;CNCC#CCC#N;PWJQYOQQEPDXHR-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52667;MM52667;C#CC(O)C(=C)C(=N)NO;SUWBFIBQWMGTFC-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52668;MM52668;COC(=NC=O)N(C)O;FZGYTWIZBHHQFJ-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52669;MM52669;C=NN=C(OC)N(C)O;ZQCLWADTCRUGNT-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52670;MM52670;C#CCCN(O)C(=N)CF;GUAUZJQADJTNGA-UHFFFAOYSA-N;144.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52671;MM52671;C#CC=C(CO)C(C)O;SOXHCNHFCGUNKS-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52672;MM52672;C#CC=C(OC)C(C)O;QYRLYXMRXNSCKP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52673;MM52673;C=CN(O)C=NC(C)=NN;DIKCNFKVCHCWAA-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52674;MM52674;CC(O)C(C#N)=CCF;DNWGEDHZOOZNSY-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52675;MM52675;CC(F)C(C=O)=CCO;ZDGAYPYCJHQRJN-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52676;MM52676;CNC=C(C=O)C(C)F;BNUAKMKUSNHXCN-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52677;MM52677;COC=C(C#N)C(C)O;PTXYLEOUMQNBFL-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52678;MM52678;CNN=C(C#N)C(C)O;VZTUKLLGNAARCL-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52679;MM52679;C=NNCC(O)CC(=C)C;HJJHSCPEXIWUDL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52680;MM52680;CON=C(C#N)C(C)O;LIQHVNOMHIYHLK-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52681;MM52681;C#CC=C(C#CCO)CN;NKTLKIBWAZJUIG-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52682;MM52682;C=NNCC(O)CC;PVCJPPMLBVIIHW-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52683;MM52683;C=NN(CC)CC(C)(C)O;CNVYFHLERUKGPY-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52684;MM52684;CCC(C)(O)C(CN)OC;YOGFNCJAHODSSD-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52685;MM52685;C=NN(C=NC)CC(C)O;QJKBNXLGLHFYJP-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52686;MM52686;C=C(C#CC(C)O)CNC;ODHKFNCMJMIBND-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52687;MM52687;CNN=C(C#N)N(C)O;ZBYFZNKEWWXEKV-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52688;MM52688;CON=C(C#N)N(C)O;PHYZXSVFOPNVNN-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52689;MM52689;CC(O)C(C#N)=CC=O;BHDLLGYEARZTQJ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52690;MM52690;CC(O)C(C=O)=CC#N;MHVXBPHEQSWVSN-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52691;MM52691;CC(O)C(C#N)=CC#N;TUAQXALOJJRZAW-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52692;MM52692;C=NN=C(C=O)C(C)O;APOOPWSWZKIPGM-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52693;MM52693;CN(C)C(C=O)=CC=O;AWXKSEYTQCPGLW-UHFFFAOYSA-N;127.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52694;MM52694;CN(C)C(C#N)=CC=O;XQBPOSLFYLBWJX-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52695;MM52695;CN(C)C(C=O)=NC=O;UDZACRZSVHTTLR-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52696;MM52696;CN(C)C(C#N)=NC=O;FHYIIZQCDQEQHO-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52697;MM52697;CC(=N)N(O)CCC#N;XFCUDUHMOGAHHE-UHFFFAOYSA-N;127.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52698;MM52698;CCC=COC(CN)CO;SKSGWIHVNLSSEW-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52699;MM52699;C=NOC(=NC)NCC=O;IZYHQQUBBANVKI-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52700;MM52700;CN(O)C(C#N)=NC=N;CYSAGZXKQSQWGA-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52701;MM52701;CN(O)C(C=O)=NC=O;OFRXOTGISLNGFE-UHFFFAOYSA-N;130.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52702;MM52702;CN(O)C(C#N)=NC=O;SIDVQHHHYOQFIY-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52703;MM52703;C=NN=C(C=O)N(C)O;SKTPOSJLRUNAHH-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52704;MM52704;C=NN=C(C#N)N(C)O;FXZACHGHZGMFHQ-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52705;MM52705;C#CC=C(C=O)C(C)O;PCGXAFJUQOQHLE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52706;MM52706;C#CC(=CCO)C(C)O;QKSKAICPUWQBHB-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52707;MM52707;C=CC=COC(CN)CO;ZNHMVOGJYHCAKW-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52708;MM52708;C=C(C)C(N)(CO)C(=C)C;NARXVVYZHUEAJY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52709;MM52709;C=C(C)C(N)=CC(=N)NO;BRQJJTXMGMZDIO-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52710;MM52710;C=COC=C(CO)CNC;WBTVZZWAXSVCSW-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52711;MM52711;C=NN=CNC(=O)NC=N;NTLGKBSGVZXAOR-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52712;MM52712;CNCC(=COC)CO;JVBQJWIPIVRJQJ-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52713;MM52713;CCON=C(NC)NC=O;NQPFVUOHVPZARW-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52714;MM52714;C#CC(=CC=O)C(C)O;ADEXBLJSYVQUCY-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52715;MM52715;C#CC(=NC=O)N(C)O;LJMDMPUFVPQSRM-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52716;MM52716;CC=NN=C(NO)NO;YNBNVTKUJPLMMS-UHFFFAOYSA-N;132.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52717;MM52717;CC(=O)C(=CCO)CF;VOUIECRNCOIDEP-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52718;MM52718;CCOC=C(CO)CNC;NURGFXRNTIWWSE-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52719;MM52719;CNC(=CC#N)NC(C)=O;UEXYUPULPLQWRR-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16548;MM16548;CNC=C(CF)C(=O)O;RSKFAFOVNCPESM-UHFFFAOYSA-N;133.12;0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52720;MM52720;COC=C(CF)C(C)=O;LXHAONCYMAEPLS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52721;MM52721;C#CC(=C)OCC(N)CO;MQMULHSJUYXUHD-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52722;MM52722;COC=C(CF)C(N)=O;XLVCCZITKDMTOM-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52723;MM52723;COC=C(CO)C(=O)O;IABQJLSOHIWWBQ-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52724;MM52724;C=C(F)C(=COC)CO;UMFRJLCTKVSBEX-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52725;MM52725;COC(=CCO)C(C)=O;VPWDKFDFRYXWSE-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52726;MM52726;COC(=CCF)C(C)=O;UIJSINWMYGIOKE-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52727;MM52727;COC(=CCO)C(N)=O;ZAKSREFSJNUJLO-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52728;MM52728;COC(=CCO)C(=O)O;KYPTUQLRWONXOZ-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52729;MM52729;COC=C(OC)C(C)=O;HSLYPEAGSGCHAM-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52730;MM52730;COC=C(OC)C(N)=O;YXNXOYNDPJSJEM-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-dimethoxyprop-2-enoic Acid";MM03450;COC=C(OC)C(=O)O;YAMYPUYJMPXJPH-UHFFFAOYSA-N;132.12;0.21;73186284;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52731;MM52731;CNN=C(CO)C(C)=O;CBHZWPVERYGVIU-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52732;MM52732;C=CC(C#N)(CO)NCC;HAMLLLYCAWQUGJ-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52733;MM52733;CNC(CO)CC#CC=O;DKYMGTVUUZYXID-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52734;MM52734;CC(CN(C)C)OCCO;ATQOBAQUJUZNPB-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52735;MM52735;C#CC(CO)CN(C)CC;SZLSOHQDSDQZTG-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52736;MM52736;C=NNCC(=C)C(C)(C)O;TZTUYDZCPQEBNU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52737;MM52737;CCON=C(C)NO;FVVILMHRGUPZEH-UHFFFAOYSA-N;118.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52738;MM52738;CCCON=C(C)NO;WMYIWTKBQROELZ-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52739;MM52739;CNN=C(OC)C(N)=O;OGGXGABMUGMOES-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52740;MM52740;C=NNCC=C(C)C(C)O;ZFUDURBQJFPSPN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52741;MM52741;CON=C(OC)C(N)=O;OHELIVMBYPFJBM-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16306;MM16306;CON=C(OC)C(=O)O;ILKSDPVHPDPBCL-UHFFFAOYSA-N;133.1;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52742;MM52742;CC(=O)C(=CC=O)CO;PAHLGJSAPHDACJ-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52743;MM52743;C=NNCC(C)(C)O;CHXOIFKOSZVFGS-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52744;MM52744;N#CC=C(CO)C(N)=O;QRCKVGYDQAJHRG-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52745;MM52745;C=C(CF)CNCC(C)O;DWEVDFAPHBOSCW-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52746;MM52746;CNC(=CC=O)C(=O)O;QFPPRNXDBMLJTL-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16138;MM16138;CNC(=CC#N)C(=O)O;HNMIEQRJMHEZLI-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52747;MM52747;COC(=CC#N)C(C)=O;JHTKIFPNDGZKIO-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52748;MM52748;COC(=CC=O)C(N)=O;ONWCFQZPNAYYPR-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52749;MM52749;COC(=CC#N)C(N)=O;FDKPKBYBUKJHAL-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16213;MM16213;COC(=CC=O)C(=O)O;ARCHPRNZHUZBRT-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-cyano-2-methoxyprop-2-enoic Acid";MM03068;COC(=CC#N)C(=O)O;PIZUCVXKXACZLL-UHFFFAOYSA-N;127.1;0.12;73879185;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52750;MM52750;C=NNC(CO)CC(=C)C;UHKAOQFNASRJCE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52751;MM52751;C=NN=C(CO)C(C)=O;FVPMZLFFNSFWDG-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52752;MM52752;C#CC(C)(N)C(C=C)CO;OMUKSXPOBRKTMN-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52753;MM52753;C#CC=NN=C(N)NC=N;RHHCZKRHBWSRFA-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52754;MM52754;C=NN=C(CO)C(N)=O;IJXIXLIXXHWNBT-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52755;MM52755;C=NN=C(OC)C(N)=O;GIWNCUGYUJVZSL-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52756;MM52756;C=NN=C(OC)C(=O)O;MQYCKBVDUSXXTF-UHFFFAOYSA-N;130.1;-0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52757;MM52757;C#CC=C(CF)C(N)=O;RILLGMKOFLNULJ-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52758;MM52758;C#CC=C(OC)C(N)=O;RLVNFIDEUBCMRA-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52759;MM52759;CC(=O)C(C=O)=CCO;NOTJXSIGIULHOU-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52760;MM52760;CC(=O)C(C#N)=CCF;OPLAHLMPPAKFCZ-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52761;MM52761;CC(O)CNC(=N)C#N;XDFHMLKYCWUHCI-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52762;MM52762;C=C(C#CCNCC)CO;YUVCOIBNRKKVCR-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52763;MM52763;N#CC(=CCO)C(N)=O;DWQUPBVMUOKHKK-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16541;MM16541;C=CC(=CCO)C(=O)O;GMIRLHSAFKGWMG-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52764;MM52764;C=CC(=CNC)C(C)=O;HKFLGRDSDGQIPM-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52765;MM52765;C=C(F)C(C=O)=CNC;OLXLFGMUXQMKAF-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52766;MM52766;C#CC(C)=CCNCCO;BTDBCLHQLMSSQH-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52767;MM52767;CN(C)C(CCO)CCO;DFFCTDWBZUXFFK-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52768;MM52768;COC=C(C#N)C(N)=O;BVXIFMRMLIHIHF-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16387;MM16387;COC=C(C=O)C(=O)O;WDUOSHYKBBHPNV-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-cyano-3-methoxyprop-2-enoic Acid";MM03182;COC=C(C#N)C(=O)O;MWRUYQUWTPSPHB-UHFFFAOYSA-N;127.1;0.12;54095326;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52769;MM52769;C=NNCC(C)=CC(C)O;HAUVERLWQVIUIF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52770;MM52770;C=NNCC(=C)CC(C)O;CVEKRJGEDCMGGB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52771;MM52771;CC(C)(N)C(F)CCO;MKMZODAUJMXCKV-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52772;MM52772;C=NN(C)CCC(C)O;FVROYUHHHAVGPH-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52773;MM52773;CNN=C(C=O)C(N)=O;UNQGEXAEWJRSOD-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52774;MM52774;CNN=C(C#N)C(N)=O;PVFDVQWIJVQYJY-UHFFFAOYSA-N;126.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52775;MM52775;CNN=C(C#N)C(=O)O;VQKCFOQBHIIBQP-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52776;MM52776;C=NNC(C)CCO;XNUDSRYVQKQIBX-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52777;MM52777;CON=C(C#N)C(C)=O;YIASWSBYCZTQHG-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52778;MM52778;C=CCNC=NOC=NN;CJMFHQLWBYSVMO-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52779;MM52779;CON=C(C#N)C(N)=O;ORQGCZICHIRLTG-UHFFFAOYSA-N;127.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52780;MM52780;CON=C(C=O)C(=O)O;YDIMNVPLESELNP-UHFFFAOYSA-N;131.09;-0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52781;MM52781;CON=C(C#N)C(=O)O;LWZMFXQOIDFKQJ-UHFFFAOYSA-N;128.09;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52782;MM52782;C=C(C)C(C#N)=CC=O;IRRWRTBAMBQKMD-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52783;MM52783;C=CC=C(C#N)C(C)=O;CPIURWJCCNXGLW-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52784;MM52784;CC(=O)C(C#N)=CC#N;JENWZLVCSBXKRS-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52785;MM52785;C#CC(C)(N)CCO;RKZXANHPZPLBPB-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52786;MM52786;CNC(=NOC)NCC#N;YRJZKQALIXBSNV-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52787;MM52787;NC(=O)C(C=O)=CC=O;XKKUWYBEGZIZKU-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52788;MM52788;N#CC(=CC=O)C(N)=O;QMYUGEHCTKBGBX-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52789;MM52789;N#CC=C(C=O)C(N)=O;ALRWCKQTUPAYPA-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52790;MM52790;N#CC=C(C#N)C(N)=O;UITBKFJQPHYSPK-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16209;MM16209;O=CC=C(C=O)C(=O)O;NXWXDXLGYBOYHE-UHFFFAOYSA-N;128.08;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16116;MM16116;N#CC(=CC=O)C(=O)O;ACXMMEQQOJJHIV-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16115;MM16115;N#CC=C(C=O)C(=O)O;KWJGSUZKWITVSR-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-dicyanoprop-2-enoic Acid";MM03074;N#CC=C(C#N)C(=O)O;AXMVSUNBXLKMJB-UHFFFAOYSA-N;122.08;0.04;53667381;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52791;MM52791;C#CC(C=NO)=C(C)N;FQRTXKCWDLVOMS-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52792;MM52792;C=CC(=NN=C)C(N)=O;FVOMYSTWFJZLHZ-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52793;MM52793;C=NN=C(C#N)C(N)=O;RDFSJLXKIUCDJA-UHFFFAOYSA-N;124.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16406;MM16406;C=CC(=NN=C)C(=O)O;ITRFBHFHVQEICR-UHFFFAOYSA-N;126.12;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52794;MM52794;CON=CNC(=O)NC=N;UQRMAWZTHLMCKN-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52795;MM52795;C#CC=C(C#N)C(N)=O;RMLZQZYQEGMRQN-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16356;MM16356;C#CC=C(C=O)C(=O)O;CKABASSUZAZWRZ-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52796;MM52796;C#CC(=CCO)C(C)=O;QVZGOIMKGBHIBB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52797;MM52797;C#CC(=CCO)C(=O)O;ZTKLRGLTXCNSGM-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52798;MM52798;C#CC(=CNC)C(C)=O;GJMSEJBKTFOXCF-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52799;MM52799;C#CC(=COC)C(N)=O;WPCGRYFDNKHPQJ-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52800;MM52800;C#CC(CCO)NCCC;KAIYVFMXNOHXHJ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52801;MM52801;CC(F)C(C)(N)CCO;KDTRKXUFNKSDPR-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52802;MM52802;C=CCC(=O)C(=C)CNC;ACNKZPBLWGMGPB-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52803;MM52803;C#CC(=NOC)C(N)=O;APIFVNXGVGMPGB-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52804;MM52804;C#CC(=CC#N)C(N)=O;UGFUUAXMMOSGPU-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16191;MM16191;C#CC(=CC=O)C(=O)O;YGIAAIHHPYMIBU-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52805;MM52805;C#CC(=NN=C)C(N)=O;FZCDXCIGAPVMGP-UHFFFAOYSA-N;123.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16268;MM16268;C#CC(=NN=C)C(=O)O;OVYGUAIOVHLLLY-UHFFFAOYSA-N;124.1;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16341;MM16341;C#CC=C(C#C)C(=O)O;CNCXTPIHFHRQIM-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52806;MM52806;C=C(CNC)C(=O)CF;WVZNPLOCCAOVGT-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52807;MM52807;CCNC(C)(C)C(N)=O;FTKUJZVWJCGMRA-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52808;MM52808;CC(C)=C(CO)CCO;DFMASPMPDALNHN-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52809;MM52809;CC(C)=C(CO)CCF;MPBRIOKNRIAXSI-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52810;MM52810;CC(F)=C(CO)CCO;VQJIPXWFFYBUJP-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52811;MM52811;C#CC=CNC(C)=NO;SGKPEEXFTSRUGI-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52812;MM52812;COCC(CO)=C(C)C;GUSLFIDCINKEBW-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52813;MM52813;CC(C)=C(CO)CC#N;HNDHXEPSEONTKU-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52814;MM52814;CC(F)=C(CO)CC#N;DZQNCBIEWNUDDT-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52815;MM52815;O=CCC(CO)=C(F)F;DTFUPONAFVFIPQ-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52816;MM52816;N#CCC(CO)=C(F)F;GUISNEGCOMVLSF-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52817;MM52817;COC(CC=O)=C(C)F;PUUVQQZVCXHFFJ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52818;MM52818;C#CC(=NN)N(C)O;UEHGYAGPPKJRGI-UHFFFAOYSA-N;113.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52819;MM52819;CN=CNC(N)=C(F)C#N;LKUZODBIXBSJFD-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52820;MM52820;CC(C)=C(CO)NC=O;JQIDMSLUBOXJKU-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52821;MM52821;O=CNC(CO)=C(F)F;QXQMMOGSYUFHIV-UHFFFAOYSA-N;137.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52822;MM52822;COC(NC=O)=C(C)C;ZOFWZMAEQRTCRE-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52823;MM52823;COC(NC=O)=C(C)F;ONCVERXLKFCEAC-UHFFFAOYSA-N;133.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52824;MM52824;C=CC(C)(CO)NCC#N;HFFLGRMZAPVSOP-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52825;MM52825;COC(NC=O)=C(F)F;BKYKTLKLQWRJQB-UHFFFAOYSA-N;137.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52826;MM52826;C=COC(CO)=C(C)F;UDVLRHDQHRKVPS-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52827;MM52827;CC(F)=C(CO)OC=O;JCEINHKUJGOPPF-UHFFFAOYSA-N;134.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52828;MM52828;CC(C)=C(C#N)CCO;HWVVKMUHCCTZHL-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52829;MM52829;CC(C)=C(C=O)CCF;FPPQBXWBIIUTSB-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52830;MM52830;CC(N)=C(C=O)CCF;NUYHXAKKPSUGIT-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52831;MM52831;O=CC(CCO)=C(F)F;GZILNNIDNGYQRN-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52832;MM52832;COCC(C=O)=C(C)F;XXMYSYUSUIHQKS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52833;MM52833;CCOC(C=O)=C(C)N;ABAPMKQLTKFUSH-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15709;MM15709;CC(C)=C(C#N)CC=O;SDXIDFDJFHGJBK-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52834;MM52834;C=CCC(C=O)=C(C)N;OZYMZVZAILOCIE-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52835;MM52835;CC(N)=C(C=O)CC=O;ANSASXXGGWKLJY-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52836;MM52836;CC(N)=C(C=O)CC#N;DMFAMABKVPSHOB-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52837;MM52837;C=NNC(C)C(C)O;XFGLKFZQCFGYBD-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52838;MM52838;C=CCC(C=O)=C(C)F;BSSOLAFEXYILSN-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52839;MM52839;N#CCC(C=O)=C(N)N;ZHCJTWCROYSQBV-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52840;MM52840;C#CCN=C(NC)NN=C;CFJQNHXOUWIFMF-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52841;MM52841;CC(=O)CC(=N)NC=CF;JILUZICNHBRPCS-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52842;MM52842;CC(F)=C(C=O)NC=O;NHFNFIMDNHORIM-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52843;MM52843;CC(F)=C(C#N)NC=O;ZOBUBDRVOOWAMH-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52844;MM52844;N#CC(NC=O)=C(N)N;FTFINAUZSPUBJM-UHFFFAOYSA-N;126.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52845;MM52845;C#CCNN=CN(C)C;YJNBYUGTGIKPGN-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52846;MM52846;O=CNC(C=O)=C(F)F;JRSQKROMJXITNM-UHFFFAOYSA-N;135.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52847;MM52847;N#CC(NC=O)=C(F)F;IOUYZOIPGINXMT-UHFFFAOYSA-N;132.07;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52848;MM52848;CC(C)=C(C=O)OC=O;JFXVBIWQAKWAFI-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52849;MM52849;C=COC(C=O)=C(C)N;IEWKVCITGGOLGV-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52850;MM52850;CC(N)=C(C#N)OC=O;FMEITWPXXKQWCO-UHFFFAOYSA-N;126.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52851;MM52851;C=COC(C=O)=C(N)N;UWPOLLZFRFPPQH-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52852;MM52852;N#CC(OC=O)=C(N)N;GNPBIIIFLFCAGC-UHFFFAOYSA-N;127.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52853;MM52853;CCN=C(CF)NO;AIUPHANSHOQBBV-UHFFFAOYSA-N;120.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52854;MM52854;C#CC(NC=O)=C(C)F;MBARZSNLZRKKRK-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52855;MM52855;CNC(=NN)NOC;WHFRQAUKAIBKOY-UHFFFAOYSA-N;118.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52856;MM52856;CC(=NOCCC#N)NO;IENIQNMZAUIVTB-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52857;MM52857;CNC(=NN)C(=N)NN;XAVYPWDGTYUNCK-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52858;MM52858;CC(C)=CC(=N)NC=NN;FQYMDBOXVPPKME-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52859;MM52859;CC(F)=C(C=NO)CO;BTJRZELATAMRMS-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52860;MM52860;CC=C(NC=N)OC=NN;VVCPFOQHOZQWPC-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52861;MM52861;OCC(C=NO)=C(F)F;JTSIYPLYEVIHQC-UHFFFAOYSA-N;137.09;0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52862;MM52862;COC(C=NO)=C(C)N;JXBORJNYAAKBOK-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52863;MM52863;CC(N)=C(C=O)C=CF;ZEMMSVTXCPSHSG-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52864;MM52864;C=NNC(C)C(=C)C(C)O;CJZLDWDJLULRET-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52865;MM52865;CC#CC(C#N)=C(C)C;HOBHWEDUDXWKSJ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52866;MM52866;CC#CC(C=O)=C(N)N;MCHMXOKKJWMTOB-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52867;MM52867;C#CC(C#CC)=C(C)C;YXJJXNCNVMQSAH-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52868;MM52868;C=C(CNC)C(=O)CCF;MWNQHINGXYBIPE-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01742;MM01742;CC(C)C(CF)C(C)O;BEMAUMNFAGPANJ-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52869;MM52869;C#CCC(C#C)(CN)OC;SBENZFXEFHGMGU-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52870;MM52870;C=C(CNC)C(C)=O;HNQWZLUHEXKNON-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52871;MM52871;C=NN(C)CC(C)(C)O;VIRUVJLGWFHEGB-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52872;MM52872;C=CC(C)C(CO)NN=C;KQWDOXJOXMSMRO-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52873;MM52873;C=CC(C(C)O)C(C)O;XZGSQZCFBOGYKK-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52874;MM52874;CC(C)(CN)NN=CCF;DFJUWWLEVMMCOE-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52875;MM52875;C#CC(C(C)O)C(C)O;OKNBKFQMQWHIRJ-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52876;MM52876;CC(=O)C(CO)C(C)C;JKAUXMVGNWSOSQ-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52877;MM52877;C=CNC(=NC)NCC#N;PHSGFIYXHHSAFO-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52878;MM52878;CC(C)C(=N)NOC=NO;AOMIZFVUFLSCRK-UHFFFAOYSA-N;145.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52879;MM52879;C=C(C)C(CO)C(C)O;QYTWWCMOYDTWPL-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52880;MM52880;C=CC(CO)N(C)CC#N;ZCVRQVOIAHYLFI-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52881;MM52881;C#CC=C(C=NO)NC=N;OIZZSZRUNKUSIP-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52882;MM52882;CC#CC(O)(CN)C(C)F;AGLDMVZVZJSYPT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52883;MM52883;C=NNC(C)C=C(C)CO;WCQLIMKIGKPXQQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52884;MM52884;C#CCC(=O)N=CN(C)C;DNNOLYRBKMQHLN-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52885;MM52885;C=C(C)C(C=O)C(C)C;BVTFTCYXEVIWAQ-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52886;MM52886;C=CC(NN=C)C(C)CO;MZDPWRLZRFTJKW-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52887;MM52887;CC(C)C(C#N)C(N)=O;CLNJMIXFJQXEKR-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52888;MM52888;C=C(C)C(C=O)C(C)O;JZXRXOXFKVECSV-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52889;MM52889;C=CC(C(C)=O)C(C)O;GKPPFPBLQGMHMP-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52890;MM52890;CC(=O)C(C#N)C(C)O;AVUBIGMGVOWPGM-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15660;MM15660;C=CC(C(C)=O)C(C)F;RFVGKTLJWYMPBZ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52891;MM52891;CNC(C)CC(C)(O)C#N;SQAIMYOZIZLMQX-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52892;MM52892;C=C(C#CC#CCO)CN;GTIWYQIGNCHJHY-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52893;MM52893;CC=NN(C=NC)CCO;VAEALLVCGQEYSN-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52894;MM52894;C=CN(C(C)=O)C(C)C;OTHWJJNYOTXAES-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52895;MM52895;CC(=O)N(C=O)C(C)C;HMCNEOVKSDSNRG-UHFFFAOYSA-N;129.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52896;MM52896;C=CC(CC(C)O)NN=C;SSEPRNBWOQGMCE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52897;MM52897;C=CN(C(N)=O)C(C)C;DEPQMXRVTYCNCW-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52898;MM52898;C=CC(C)(C#N)NCCO;JIHALHRBBJPOLM-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52899;MM52899;C#CC(=O)NN(C)C=N;FBMYEGCVVCDYKQ-UHFFFAOYSA-N;125.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52900;MM52900;C=NNC(CCO)C(=C)C;JKXBZKNMEZZMFE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52901;MM52901;C#CC(C(C)=O)C(C)O;DXTALLGJKSQSTP-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15301;MM15301;C#CC(C(C)=O)C(C)F;OOBUQSMCQHBUJN-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52902;MM52902;C=NN(CC)CCCO;RQOHUQBIPGTCTM-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52903;MM52903;C=C(C)C(CO)C(C)=O;GRSVJLFQCOOFSN-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52904;MM52904;C=C(C)C(CO)C(=O)O;COPVWTGWHHSRKU-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52905;MM52905;C=NNC(C)C(=C)CCO;OPBJWFVWNRZEGF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52906;MM52906;C=C(C)N(CC)C(N)=O;KZIJZTCDYUSBQU-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52907;MM52907;CCN(C(C)=O)C(C)=O;OUUWATVJTLBCFV-UHFFFAOYSA-N;129.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52908;MM52908;CC(=NN=CN)NCC=O;KBPASXOGTQLULT-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52909;MM52909;CCN(C(N)=O)C(N)=O;WHNBXBAUOJMBAB-UHFFFAOYSA-N;131.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52910;MM52910;C#CCNC(C)C(=O)C#N;PLAJBPIYAPLXRR-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52911;MM52911;C=C(C)N(OC)C(C)=O;SIALMZXCXMONKK-UHFFFAOYSA-N;129.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52912;MM52912;C=C(C)N(OC)C(N)=O;GLIXHUXIQCEKLV-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52913;MM52913;CON(C(C)=O)C(C)=O;HWZKQIRJZPOEQF-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52914;MM52914;C=CCNCC(C)(O)CF;ZMDCIUCRIHXTNI-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52915;MM52915;CON(C(N)=O)C(N)=O;QLKCDRVPUIPEOO-UHFFFAOYSA-N;133.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52916;MM52916;CNC(C)(C)C=C(F)CO;SASQNZWRENPOJT-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52917;MM52917;C=C(C)C(C=O)C(N)=O;BQKWKRPAAYBSEF-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Acetyl-3-oxobutanenitrile;MM02078;CC(=O)C(C#N)C(C)=O;ORMIKPSLLOLDGT-UHFFFAOYSA-N;125.13;0.3;422840;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15695;MM15695;C=C(F)C(C=O)C(C)=O;BHMBGUCRYBYUIT-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15625;MM15625;C=C(F)C(C#N)C(C)=O;UQLSGYCGIAXWRL-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52918;MM52918;CNN=C(C=CF)NOC;LHDHZASJXVIYNS-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52919;MM52919;CC=CC(=NC)NNC=O;ZYCLRAPCIUHXMJ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52920;MM52920;N#CCNC(=N)CO;BLCUSNXMKGSHHZ-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52921;MM52921;C=CN(C(N)=O)C(N)=O;ZXPUJKMHBJVPJU-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52922;MM52922;CNC(=N)NOC(=N)NO;HXUXYRHKMVTXFB-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52923;MM52923;COC(CN)CO;SAEJJZSYLNCLIG-UHFFFAOYSA-N;105.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52924;MM52924;CCC(C)OC(CN)CO;KFCSNBURYMIHBT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52925;MM52925;C#CC(C#N)NCCC=C;LHLJNTSRSHRMAS-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-ethynylpentane-2,4-dione;MM02310;C#CC(C(C)=O)C(C)=O;ZNBYWJRFWGTSBU-UHFFFAOYSA-N;124.14;0.41;100982416;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52926;MM52926;C#CC(C(N)=O)C(=O)O;OOHVOABQQDYDLG-UHFFFAOYSA-N;127.1;-1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52927;MM52927;C#CC(C(=C)F)C(N)=O;RQRVPXNSRIYJNB-UHFFFAOYSA-N;127.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52928;MM52928;C#CC(C(=O)O)C(=O)O;CZLVOOKNUCQDBI-UHFFFAOYSA-N;128.08;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52929;MM52929;CC(O)C(=CF)C(C)O;IBLGITUPGKLENQ-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52930;MM52930;CCCCOC(CN)CO;FSBKPHXKEWSPEC-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52931;MM52931;N#CC(C#N)(C#N)NC=N;FZKYNRILBJKLKX-UHFFFAOYSA-N;133.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52932;MM52932;C=C(C#N)NC(=N)OC=O;QUNXRRZIIWQIDK-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52933;MM52933;C#CC(=C)C(C)(N)CO;OXRZEXYWHZDKPL-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52934;MM52934;CC(O)C(=NO)N(C)C;FBKWJDRYXQAFFD-UHFFFAOYSA-N;132.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52935;MM52935;CNN(C=NO)CC#N;YKVGBUBIGIKYJA-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52936;MM52936;C=CC(=N)NC(=O)NN=C;ZDVRGWWJFKLMSN-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52937;MM52937;CNN=C(NC)NO;BYVIDIHBJSVAQJ-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52938;MM52938;CC(=N)NC(C)=O;VFQUGUQMEDNBER-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52939;MM52939;CCC=NN=C(NO)NO;SVMGGDVHBSGPQK-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52940;MM52940;CNC(C=COC)C(C)O;NSMITGSASRFLPC-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52941;MM52941;C=NN=C(NO)NO;GCCMVAGKNRYWGO-UHFFFAOYSA-N;118.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52942;MM52942;C=CC(C)CC(=N)NC=O;VXZODANFTMVLLO-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52943;MM52943;CN(O)C(=N)C(N)=CC#N;PXUUGXHCGYUEIA-UHFFFAOYSA-N;140.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52944;MM52944;C=NNC(=N)C(C)(O)C=O;CQBHFZDPQYPVPI-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52945;MM52945;CC(=O)C(=CF)C(C)O;RTROGKMEGQUYIX-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52946;MM52946;CC(=O)C(=NO)C(C)C;KKWRXTVMYYRSMZ-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52947;MM52947;C=CCN(C)C=NO;XEJBJJGOYQWISD-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52948;MM52948;C#CC(O)C(C#N)N(C)C;SARXMNAOHHTRSF-UHFFFAOYSA-N;138.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52949;MM52949;C=CC(=CC(=N)NO)NC;BGOCSTNLWDAHNE-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52950;MM52950;C=NNC(=N)C#CC(C)O;DFZMJAHKSGTHMU-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52951;MM52951;CC(=O)C(=NO)C(C)F;YZPNSWVVIFSJPN-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52952;MM52952;C#CC=CC(CO)NC;HWPOQUVTCODSBC-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52953;MM52953;C#CC(C)=CC(CO)NC;YQTYEBUHTCDHEE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52954;MM52954;C=C(C)CN(C)CC(C)O;XKBUHABWRFXQOU-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52955;MM52955;C=CC(O)C(C)(C)NN=C;VJHXFOUBLJERIV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52956;MM52956;C=CCN=CN(O)C=NN;MKLFJYAFQXAJQP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52957;MM52957;CN(C)C(=NN)C(=O)O;SQVDYLKYHKGTBE-UHFFFAOYSA-N;131.14;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52958;MM52958;COCC(CO)CN(C)C;FCGXDAIEPTYFQT-UHFFFAOYSA-N;147.22;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52959;MM52959;C=NNC(C)(C)CO;GJNCJTXVXUSAIX-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52960;MM52960;C=NNC(C(=C)C)C(C)O;AQAIOOSQABZJTF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52961;MM52961;CN=C(C(=O)O)N(C)N;JMUQKOLMPPSBAX-UHFFFAOYSA-N;131.14;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52962;MM52962;C#CCC(=NC=N)N(C)O;WVRXIAWNFAXRAV-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52963;MM52963;CC(=NOC(C)C)NO;SBBLOYUJJKAHCD-UHFFFAOYSA-N;132.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52964;MM52964;C=C(C)C(=NO)N(C)O;MCAFNQAQYVZWFW-UHFFFAOYSA-N;130.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52965;MM52965;CC(=NOCCF)NO;LPYGCWJQUYVTRX-UHFFFAOYSA-N;136.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52966;MM52966;CC(=O)C(=NO)N(C)O;SMTXPMBULMSHNE-UHFFFAOYSA-N;132.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52967;MM52967;CC(O)CCC(C)(N)CF;ZMBLVGDNCIZSGB-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52968;MM52968;CCC(N)(CF)CCO;WUPMMDIQIKWSMX-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52969;MM52969;C=C(C)C(=CC)C(=C)C;VXJZWGQZCNIVKX-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52970;MM52970;CON=CCN(O)C=NN;GCERUMYCXWULRI-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52971;MM52971;CC(=O)C(=CN)C(C)=O;CGHZFGVFWZGUPK-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52972;MM52972;CC(=O)C(=CF)C(C)=O;DGJOBEFBLQUKKG-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52973;MM52973;CNCC(=CF)CC=O;ULYKTJXLXLIZJV-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52974;MM52974;C=NNC(=N)C(=CF)CO;KHCLXBLDYMHUOD-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52975;MM52975;C=NN(C)C=NCC(C)O;IKXLKFYIODKCHM-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16469;MM16469;C=C(C)C(=NN)C(=O)O;NOYGMMACPVERTB-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16397;MM16397;C=C(C)C(=NO)C(=O)O;BVYMYJJAKFOUHZ-UHFFFAOYSA-N;129.12;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52976;MM52976;C=NNC(C=C(C)C)CO;ADCCKIOAHOOFFZ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52977;MM52977;CCC(C)NCC(N)=O;BEXQWGHOWDRTNX-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52978;MM52978;C=CC(C#CCNC)CO;ZLCGMJNDNQKIKQ-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52979;MM52979;C=C(C(N)=O)C(C)NCC;YIGUYFKPVAGAKL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52980;MM52980;CC(C)=C(CO)C(C)O;WFUATEDTHPMHLO-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52981;MM52981;CC(C)=C(CF)C(C)O;ZOBXWYAGANJOBE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52982;MM52982;C=NN(C)C(CC)CO;KTHLXSZUXOUKLC-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52983;MM52983;CC(F)=C(CO)C(C)O;ZNYDHOMOAHYCPF-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52984;MM52984;COC(=C(C)F)C(C)C;OVIMTCIXXGTDRL-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52985;MM52985;COC(=C(C)C)C(C)O;ZBEQHKZOQFJBRL-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52986;MM52986;C=CC(=C(C)F)C(C)C;FKIRQFBSVLGQGB-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52987;MM52987;CC(N)=C(C=O)C(C)F;PREBBAVOGBYRLF-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52988;MM52988;C#CC(=C(C)F)C(C)O;WOZRNYTVZHVWKM-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52989;MM52989;CC(=O)C(CF)=C(C)C;HSOAKIDYJWGWHF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52990;MM52990;CC(=O)C(CF)=C(C)N;HKCGPRWHPFLYEE-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52991;MM52991;CC=CC(N)C=CC(N)=O;QHYHYLISDWSSHH-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52992;MM52992;CC(=O)C(CF)=C(N)N;WEQBTWBDQBAWHI-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52993;MM52993;CNN(C=N)C(N)=O;MQKVVRDJMMJFAI-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52994;MM52994;CC=NN=C(NC)NC;XHXGFKNGHLVTSX-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52995;MM52995;C=NN=C(NC)NC;QSAUUIWLUYFEIG-UHFFFAOYSA-N;114.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52996;MM52996;C=NN(CCC)CCO;KONBRTLQXVGKNZ-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52997;MM52997;CNC(C)C#CCC=O;DFRSSORDOJHPBN-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52998;MM52998;CC(F)=C(CF)C(N)=O;SUFZHQCCZACHLG-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM52999;MM52999;CC(C)=C(CO)C(=O)O;DNXPNXIKCYAOSY-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-amino-2-ethylbut-2-enoic Acid";MM03322;CCC(C(=O)O)=C(C)N;UYPQCGHDGAGZHI-UHFFFAOYSA-N;129.16;0.71;67919707;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16431;MM16431;CC(F)=C(CO)C(=O)O;JHOOAHVAKYLADJ-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53000;MM53000;CCC(C(=O)O)=C(N)N;OLNBBTTTWNGXHK-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53001;MM53001;COC(C(C)=O)=C(C)N;ZOGVUUUYGLQZCJ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53002;MM53002;COC(C(C)=O)=C(N)N;ZDVQRFABFDJFIW-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53003;MM53003;N=C(N)NN=CC(F)=CN;ZVCMDJODVVZQCR-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53004;MM53004;COC(C(N)=O)=C(C)C;GKKCDLFMEGSQPT-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methoxy-3-methylbut-2-enoic Acid";MM03591;COC(C(=O)O)=C(C)C;XAMIXYGJNHHXEG-UHFFFAOYSA-N;130.14;1.01;42916;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53005;MM53005;COC(C(=O)O)=C(C)N;VCRGMTGQFFEUFL-UHFFFAOYSA-N;131.13;-0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53006;MM53006;C=C(C)C(C=O)=C(C)C;GPOUYBDEFJBTNH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53007;MM53007;C=C(C)C(C=O)=C(C)N;FSMUNUNGPLWKFN-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53008;MM53008;C=C(C)C(C=O)=C(C)F;DZKBDAGCQDMBOY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53009;MM53009;C=CC(C(C)=O)=C(C)C;ZDZLRGYXFKMTSH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53010;MM53010;CC(=O)C(C#N)=C(C)C;IFKROWDORLSUFB-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53011;MM53011;CC(=O)C(C#N)=C(C)N;RDRVJVHEWGXCLC-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53012;MM53012;CC(=O)C(C=O)=C(C)F;DPZAUSJWSONVFC-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53013;MM53013;CNCC(C=O)OCC#N;DBCAGPUWPRYJRA-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53014;MM53014;CN=C(C)NOCC#N;FDSAGZZLOIDKRY-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53015;MM53015;CC(F)=C(CC#N)NC=N;XCZXVSZFRSFXPN-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53016;MM53016;C#CC(C#N)N(C)CC;SMMSYEGASJTVGC-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53017;MM53017;CC(N)=C(C=O)C(N)=O;WHKPZKNCUCXJES-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53018;MM53018;CC(F)=C(C#N)C(N)=O;VWTUFILXZXLTRN-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53019;MM53019;NC(=O)C(C=O)=C(N)N;UQERNVYJQWSWIK-UHFFFAOYSA-N;129.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53020;MM53020;N#CC(C(N)=O)=C(N)N;UFZPGWRNJRQYAC-UHFFFAOYSA-N;126.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53021;MM53021;N#CC(C(N)=O)=C(F)F;MJDNMOWIMDBSCF-UHFFFAOYSA-N;132.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53022;MM53022;CC(N)=C(C#N)C(=O)O;YAWLDYBYFGSVLD-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53023;MM53023;C#CC(C(N)=O)=C(C)N;XMKMIOKVMAWXQC-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53024;MM53024;C#CC(C(N)=O)=C(F)F;HSEDFLGEVKCNQB-UHFFFAOYSA-N;131.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16185;MM16185;C#CC(C(=O)O)=C(C)N;RPYYUFSDTOWKES-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53025;MM53025;C=CC1(C(C)C)CC1C;PAQWOCRYUUTNIN-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53026;MM53026;C=CC1(C(=C)C)CC1C;RSIDOWLCTBFISY-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53027;MM53027;C=CC1(C(=C)C)OC1C;RNIGLWHCGSBACJ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53028;MM53028;Cc1oc(=NO)oc1C;QATVJUCGYUCXIC-UHFFFAOYSA-N;129.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53029;MM53029;NNC(=O)C(=NO)NN;XORKXUIUTFLFOW-UHFFFAOYSA-N;133.11;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53030;MM53030;Cc1oc(=NO)oc1N;NOKZSEDDBNJDNP-UHFFFAOYSA-N;130.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53031;MM53031;Cc1oc(=NN)oc1O;MZPMYIHMPUHVGS-UHFFFAOYSA-N;130.1;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53032;MM53032;Cc1oc(=NO)oc1O;SBGCNYYMVPNDAO-UHFFFAOYSA-N;131.09;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53033;MM53033;NCC(C=NO)=CCCF;FBGCSSASDCTARA-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53034;MM53034;Nc1oc(=NO)oc1N;ADHAEDOAAOXOBH-UHFFFAOYSA-N;131.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53035;MM53035;Nc1oc(=NO)oc1O;DZWUKXSQFSDPRF-UHFFFAOYSA-N;132.08;-0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3";;;;;;;-1.53;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53036;MM53036;CNC(=NO)NOCC#N;UKPNYUHURBLQET-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53037;MM53037;NN=c1oc(O)c(O)o1;JAEMHNPJKFLFLL-UHFFFAOYSA-N;132.08;-0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53038;MM53038;ON=c1oc(O)c(O)o1;ULUNGZYJRWEQFV-UHFFFAOYSA-N;133.06;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53039;MM53039;CCC(CC)(CC)CC;BGXXXYLRPIRDHJ-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53040;MM53040;CC#CC(N)CCC=NO;RSBKDFKRWQKSFG-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53041;MM53041;CC#CC(=N)N(O)C=NN;PJGDATOJRKWCDK-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53042;MM53042;OCC(CO)(CO)CO;WXZMFSXDPGVJKK-UHFFFAOYSA-N;136.15;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53043;MM53043;C=CC=NNC(=O)CCN;FBCPZKIKIVKDSG-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53044;MM53044;CCC(CO)(CF)OC;DKYPTGHDBBKRNX-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53045;MM53045;CCC(CO)(OC)OC;ZDKJKTDJMGSIRK-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53046;MM53046;C=CC(CC)(CC)CC;UWLPVIXZAWCQIN-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53047;MM53047;CCC(C=O)(CC)CC;BVNYROHOUZCIEL-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53048;MM53048;CC#CC(O)(CN)CF;SKODRYRRNKJQGC-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53049;MM53049;CN=C(C=O)N(O)C=N;LFZGQGLMQGZYBB-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53050;MM53050;C=CC(CC)(CO)CO;ODBIHCUNZRDOQD-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53051;MM53051;CCC(C=O)(CO)CO;YYKMQUOJKCKTSD-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53052;MM53052;CCC(C#N)(CO)CO;ZEYRNMWTEFXGRD-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53053;MM53053;N#CC(CO)(CO)CO;ZRJXGGJHZVEKRV-UHFFFAOYSA-N;131.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53054;MM53054;N#CC=NNC(=N)NC=N;SADDERLICWEBJP-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53055;MM53055;C=CC#CC(O)(C=C)CN;RITUGGQVFNMFRK-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53056;MM53056;CNC(C#N)(CO)COC;MYQAGNCUCHJANT-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53057;MM53057;C=CC(CC)(CO)OC;GQKBEBCGRMLMNN-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53058;MM53058;CCC(C#N)(CO)OC;HXRQXLGZLAHXSO-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53059;MM53059;COC(C#N)(CO)CO;MSFUAYDEJGVLSQ-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53060;MM53060;CCC(C#N)(OC)OC;PWDJXQDRVMLOHO-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53061;MM53061;C=CC(CO)(OC)OC;KYUKLSRUJLCSHP-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53062;MM53062;COC(C#N)(CO)OC;JWKNHFUDMZHYCU-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53063;MM53063;COC(C#N)(CF)OC;CXAWLJONDQDNKB-UHFFFAOYSA-N;133.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53064;MM53064;C#CC(CC)(CC)CC;UUJPMWXCWIRHJH-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53065;MM53065;C#CC(CC)(CO)CO;GKCUZPWJSPXIEE-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53066;MM53066;C#CC(CO)(CF)CF;RRICMEICMGDNSF-UHFFFAOYSA-N;134.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53067;MM53067;C=CC(C)(NN=C)C(C)O;ADCSRFZBTBHRGC-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53068;MM53068;C#CC(CO)(CO)OC;AGWDXEITLRJGTO-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53069;MM53069;C#CC(CC)(OC)OC;HGZVJQQXYRKRDY-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53070;MM53070;C#CC(CO)(OC)OC;VAZJWNZQBYKICH-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53071;MM53071;C#CC(CF)(OC)OC;KUVGBJQTSLPPLW-UHFFFAOYSA-N;132.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53072;MM53072;C=CC(C=C)(CC)CC;XAXYTHWQHBSHRO-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53073;MM53073;C=CC(C#N)(CC)CC;SPNJNSUGBNBJNN-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53074;MM53074;CCC(C#N)(C#N)CC;AIEHSKCCVPIDNR-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15351;MM15351;C=CC(C#N)(CC)CO;FXGOQPVBHKPCJM-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53075;MM53075;CCC(C=O)(C=O)CO;BLZHRLQSLBOXGP-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53076;MM53076;N=CNNC(=O)OC(=N)N;QPLNXKGWLTZLCT-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53077;MM53077;C=CC(C=C)(CO)CO;YAKFFAOIJNJMIM-UHFFFAOYSA-N;128.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53078;MM53078;C=CC(C#N)(CO)CO;PVENBUGIHPURPH-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53079;MM53079;N#CC(C=O)(CO)CO;VIQNZEXUCGKOMC-UHFFFAOYSA-N;129.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53080;MM53080;N#CC(C#N)(CO)CO;CEMBNVVFIUYGOI-UHFFFAOYSA-N;126.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53081;MM53081;C=CC(C=O)(CO)CF;MRFILGFDTZIMSD-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53082;MM53082;C=CC(C#N)(CO)CF;AAXOELZSRYSTSY-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53083;MM53083;N#CC(C#N)(CO)CF;YKDSUYFUDXJHGB-UHFFFAOYSA-N;128.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53084;MM53084;C#CC(=C)C#CC(O)CN;MUIXAWACVLAPGE-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53085;MM53085;CCC(C=O)(C=O)OC;HMZDUFUMJIJXGZ-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53086;MM53086;CCC(C#N)(C=O)OC;UENFRNRWDOLUNY-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53087;MM53087;CCC(C#N)(C#N)OC;BKODXRMBWKTBNR-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53088;MM53088;C=CC(C#N)(CO)OC;WLADURQQBOTURE-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53089;MM53089;COC(C#N)(C=O)CO;QFTLQWCQJXNEPI-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53090;MM53090;COC(C#N)(C#N)CO;IDFDBSSXIXVJSJ-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53091;MM53091;COC(C#N)(C=O)CF;ZDEAETRKRUNCGG-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53092;MM53092;COC(C#N)(C#N)CF;SUZVIZOGDQJDTN-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53093;MM53093;C=CC(C=O)(OC)OC;IBTBJFDUVIMZRG-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53094;MM53094;C=CC(C#N)(OC)OC;JTXLSRRWGQUMQU-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53095;MM53095;COC(C#N)(C=O)OC;PKUOZWJZNIDTGF-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53096;MM53096;C#CC(C=C)(CC)CC;DPRGYAAUBQWKNQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53097;MM53097;C#CC(C=O)(CC)CC;SSSGERFKSVOVSW-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53098;MM53098;C#CC(C#N)(CC)CC;KSLUPRAMQGYEPM-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53099;MM53099;C#CC(C=O)(CC)CO;VASCVWUZKPZZPL-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53100;MM53100;C#CC(C#N)(CC)CO;COGRTFMJMLWBOC-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53101;MM53101;C#CC(C=C)(CO)CO;MEGBCFJIRIQOEO-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53102;MM53102;C#CC(C#N)(CO)CO;IYOCEIKDMBVDDO-UHFFFAOYSA-N;125.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53103;MM53103;CN(C)CCC#CCO;XILKPZGWHOBAMS-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53104;MM53104;C#CC(C#N)(CC)OC;XMQUHGWAINPACH-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53105;MM53105;C#CC(C=C)(CO)OC;ZYPUHZHQQBHZDG-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53106;MM53106;C#CC(C=O)(CO)OC;SUGZGYFFRZZYOD-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53107;MM53107;C#CC(C#N)(CO)OC;SYCVRHHIHBDGJO-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53108;MM53108;C#CC(C#N)(CF)OC;OHRWLHBINNCGDL-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53109;MM53109;C#CC(C=C)(OC)OC;DFOIEXUYLNUQOV-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53110;MM53110;C#CC(C=O)(OC)OC;APTLAIXVCGATQS-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53111;MM53111;C#CC(C#N)(OC)OC;NINAKGMNOVBFOY-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53112;MM53112;C#CC(C#C)(CC)CC;IOCXNQNALSKIME-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53113;MM53113;C#CC(C#C)(CO)CO;YLGYJFCPJNBYDI-UHFFFAOYSA-N;124.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53114;MM53114;CC#CCNC(=O)CCN;PYIRUGCEOJWJEF-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53115;MM53115;C#CC(C#C)(CO)OC;LXCOPAPKUCUHEH-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53116;MM53116;C#CC(C#C)(OC)OC;AHFSWWBSUCRXKX-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53117;MM53117;C=CC(C=C)(C=C)CC;XOQVFKKWWWDYGE-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53118;MM53118;C=CC(C#N)(C=C)CC;LFWVANCQOYVVNL-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53119;MM53119;C=CC(C#N)(C#N)CC;RLVZTWDIBCGMGT-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53120;MM53120;CCC(C#N)(C#N)C=O;MKYPCGUJCIJYLT-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53121;MM53121;CCC(C#N)(C#N)C#N;VPWDUWQZOPKPQH-UHFFFAOYSA-N;119.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53122;MM53122;C=CC(C#N)(C=C)CO;JDDNIMGTHNLCSQ-UHFFFAOYSA-N;123.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53123;MM53123;O=CC(C=O)(C=O)CO;NIVNWQWWCZLSII-UHFFFAOYSA-N;130.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53124;MM53124;N#CC(C=O)(C=O)CO;KCQYSXHASMXOFI-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53125;MM53125;N#CC(C#N)(C=O)CO;ZGBZTLSSGPMYQQ-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53126;MM53126;N#CC(C#N)(C#N)CO;SWXQZIDZNRFCRQ-UHFFFAOYSA-N;121.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53127;MM53127;N#CC(C=O)(C=O)CF;DWGXVZANVURQJF-UHFFFAOYSA-N;129.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53128;MM53128;N#CC(C#N)(C#N)CF;MUZMLVACLAIPBQ-UHFFFAOYSA-N;123.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53129;MM53129;CNC(C#N)(C#N)C#N;XVVCYGNYCMRFHX-UHFFFAOYSA-N;120.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53130;MM53130;C=CC(C=O)(C=O)OC;SXZRCWAAZHWNHC-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53131;MM53131;COC(C=O)(C=O)C=O;NMDBMAJMLQCXEE-UHFFFAOYSA-N;130.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53132;MM53132;COC(C#N)(C#N)C=O;PDJNQCBBFPGEBU-UHFFFAOYSA-N;124.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53133;MM53133;COC(C#N)(C#N)C#N;QGDWWBLIQWRBAS-UHFFFAOYSA-N;121.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53134;MM53134;C#CC(C=C)(C=C)CC;FRKOMPFWFNEZCM-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53135;MM53135;C#CC(C#N)(C=C)CC;XRAHGFNAJPIWHW-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53136;MM53136;C#CC(C#N)(C=O)CC;MEMLIFDTFBZUJY-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53137;MM53137;C#CC(C#N)(C#N)CC;DWEPFNRPKHIBTO-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53138;MM53138;C#CC(C=C)(C=O)CO;JTNICPUNBKIJFP-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53139;MM53139;C#CC(C#N)(C=C)CO;KMLWUHFUWVWYTG-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53140;MM53140;C#CC(C#N)(C=O)CO;HCQOAQIBIQWUPL-UHFFFAOYSA-N;123.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53141;MM53141;C#CC(C#N)(C#N)CO;BYEJKDZKIADMHD-UHFFFAOYSA-N;120.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53142;MM53142;C#CC(C=O)(C=O)CF;MNPJEROWOBLBEC-UHFFFAOYSA-N;128.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53143;MM53143;C#CC(C#N)(C=O)CF;QFFBDDAMSORFCK-UHFFFAOYSA-N;125.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53144;MM53144;C#CC(C=O)(C=O)OC;DXXDBROTKWFIAS-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53145;MM53145;C#CC(C#N)(C=O)OC;AUMGYAKDIZQKPI-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53146;MM53146;C#CC(C#N)(C#N)OC;GHZAOEVOYZKFEM-UHFFFAOYSA-N;120.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53147;MM53147;C#CC(C#C)(C=C)CC;ZGIVISSGQACFMA-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53148;MM53148;C#CC(C#C)(C#N)CC;CDQHOKHDUBJXFR-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53149;MM53149;C#CC(C#C)(C=O)CO;NRGMBYBZLMXRKS-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53150;MM53150;C#CC(C#C)(C#N)CO;XZIOWKHLKOTBKR-UHFFFAOYSA-N;119.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53151;MM53151;C#CC(C#C)(C=O)OC;ZLCIEXZBFDDGNF-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53152;MM53152;C#CC(C#C)(C#N)OC;SNGMODNBFPXSMS-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53153;MM53153;C#CC(C#C)(C#C)CC;IVRVPUKQXIZBGL-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53154;MM53154;C#CC(C#C)(C#C)CO;REUUZLMRTSJPIW-UHFFFAOYSA-N;118.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53155;MM53155;C#CC(C#C)(C#C)OC;SXPYJIHKCRIYCG-UHFFFAOYSA-N;118.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53156;MM53156;C=CC(C=C)(C=C)C=C;QOYZWSPUVHSVFK-UHFFFAOYSA-N;120.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53157;MM53157;C=CC(C#N)(C=C)C=C;CWZXEAWRRYAVQJ-UHFFFAOYSA-N;119.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53158;MM53158;C=CC(C#N)(C#N)C=C;GXULTDDXJNRZNK-UHFFFAOYSA-N;118.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53159;MM53159;C=CC(C#N)(C=O)C=O;LASXFMZYOLYTKU-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53160;MM53160;C=CC(C#N)(C#N)C=O;KGJACXJWLAUFRG-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53161;MM53161;C=CC(C#N)(C#N)C#N;IKTXPCNCLUKNBZ-UHFFFAOYSA-N;117.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53162;MM53162;O=CC(C=O)(C=O)C=O;SLSCQBWTJWXIDO-UHFFFAOYSA-N;128.08;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53163;MM53163;N#CC(C=O)(C=O)C=O;ZGNGYRIBOIGECZ-UHFFFAOYSA-N;125.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53164;MM53164;N#CC(C#N)(C=O)C=O;QKZGROFTKAVAAK-UHFFFAOYSA-N;122.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53165;MM53165;N#CC(C#N)(C#N)C#N;XKGUKYPCHPHAJL-UHFFFAOYSA-N;116.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53166;MM53166;C#CC(C=C)(C=C)C=C;OXZZHVUUDBEVCN-UHFFFAOYSA-N;118.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53167;MM53167;C#CC(C=C)(C=C)C=O;ZDCMWCBAVDYXCV-UHFFFAOYSA-N;120.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53168;MM53168;C#CC(C#N)(C=C)C=C;SNLUIBUPOAUULW-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53169;MM53169;C#CC(C=C)(C=O)C=O;PBUIMXZHMVRWEC-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53170;MM53170;C#CC(C#N)(C=C)C=O;JFTPDRAYWLFZOH-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53171;MM53171;C#CC(C#N)(C#N)C=C;IJPHPDQFJCJUSC-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53172;MM53172;C#CC(C=O)(C=O)C=O;AAXXLNOFUIFIEV-UHFFFAOYSA-N;124.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53173;MM53173;C#CC(C#N)(C#N)C=O;AVOBKYRHUSAGSL-UHFFFAOYSA-N;118.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53174;MM53174;C#CC(C#N)(C#N)C#N;RUTODBDEAJQLHE-UHFFFAOYSA-N;115.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53175;MM53175;C#CC(C#C)(C=C)C=C;KTIZPAUPAOWLRF-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53176;MM53176;C#CC(C#C)(C=C)C=O;LMSWIVHUJYPWJL-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53177;MM53177;C#CC(C#C)(C#N)C=C;MDDLRRAITRZZPE-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53178;MM53178;C#CC(C#C)(C=O)C=O;VCGVUIZMBWQATO-UHFFFAOYSA-N;120.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53179;MM53179;C#CC(C#C)(C#N)C=O;DEVNFCGFNUGOJT-UHFFFAOYSA-N;117.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53180;MM53180;C#CC(C#C)(C#N)C#N;TUIVHKVUCFUVGD-UHFFFAOYSA-N;114.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53181;MM53181;C#CC(C#C)(C#C)C=C;HSHYPBZPZCGVNB-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53182;MM53182;C#CC(C#C)(C#C)C=O;PAXOXHQHPPFFFV-UHFFFAOYSA-N;116.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53183;MM53183;C#CC(C#C)(C#C)C#N;XDXMKCBWFPSWOY-UHFFFAOYSA-N;113.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53184;MM53184;C#CC(C#C)(C#C)C#C;JVMGUYOVBKXTJL-UHFFFAOYSA-N;112.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53185;MM53185;C=NNC(C)(CO)C(=C)C;UUTCZJHXQGUYPQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53186;MM53186;C=CC(NC=N)=C(F)CO;PPZUHWIYWLEQNY-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53187;MM53187;CC(=NOCC=CF)NO;KTDUTHQVZJDBSM-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53188;MM53188;CON=C(NN)C(N)=O;LZMBXTBHPGSGAI-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53189;MM53189;COC(C)C(CO)CO;HBQQCEQVEFBBGF-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53190;MM53190;CCON=C(NN)C(N)=O;IACLOFVPLXGPAN-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53191;MM53191;CC=NN(C)C=NCCO;SNFSDRLFIXVFCO-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53192;MM53192;COC(CO)C(C)CF;YOPJEGFJHQLSPX-UHFFFAOYSA-N;136.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53193;MM53193;N=CNC=C(F)C#CCO;JJYSCLBHMHOIBO-UHFFFAOYSA-N;142.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53194;MM53194;CCC(OC)C(O)CO;HNBSIDWINVNFAX-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53195;MM53195;CCC(OC)C(F)CO;JCQCRRZUJZAMTF-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53196;MM53196;COC(C)C(CO)OC;JFCIOMTUSXLLMJ-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53197;MM53197;COC(OC)C(C)CO;GLAXQTDHALEKLY-UHFFFAOYSA-N;134.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53198;MM53198;CCC(O)C(OC)OC;MINVDNAALYQBTP-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53199;MM53199;COC(OC)C(F)CO;PMPIPIGCILZJAA-UHFFFAOYSA-N;138.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53200;MM53200;COC(C)C(OC)OC;JYJQEVLUMHYVEK-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53201;MM53201;C=NNCCC=CCO;KAKPIITUTOFJCN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53202;MM53202;CC(C#N)C(CO)CF;KKISAGZFDBHPNP-UHFFFAOYSA-N;131.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53203;MM53203;C=CC(O)C(CO)CF;YQRXMXUXZKPTPY-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53204;MM53204;CC(=O)C=NN=CN;MAULFFLJSVPZDR-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53205;MM53205;C=CC(C)C(CO)OC;UAWSSJWVDSZYPU-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53206;MM53206;CCC(OC)C(O)C#N;ZXAGBWPOGMSATC-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53207;MM53207;C=CC(O)C(CO)OC;JSMINNLOOZVBPE-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53208;MM53208;COC(OC)C(C)C#N;HARZOGJXMSZKTJ-UHFFFAOYSA-N;129.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53209;MM53209;C=CC(O)C(OC)OC;KJOFBUHHSFLXAJ-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53210;MM53210;COC(OC)C(O)C#N;YGQBKSQCJSBETE-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53211;MM53211;CN(C=O)C(CO)CO;GTFIQVIVHWLQNM-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53212;MM53212;C#CC(=O)C(N)=NC;WYUDQELMGMDGAE-UHFFFAOYSA-N;110.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53213;MM53213;C=NNCC(C#N)NCC;SBHUOQSYLKCPQL-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53214;MM53214;CCC(=O)C=NN=CN;VKOJEOCCKNUKAW-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53215;MM53215;C=NNC(=N)C(=C)C=O;NBCBXQCTHFKXGH-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53216;MM53216;C#CC(O)C(CC)CO;KFEUNWSECYGSCK-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53217;MM53217;C#CC(F)C(CO)CF;HAZBBKNEHAHCRA-UHFFFAOYSA-N;134.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53218;MM53218;C=C(CC)NC(=O)CCN;KXBDYSKVZSPKSW-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53219;MM53219;C#CC(O)C(CC)OC;IPGYSHUHPOWMTN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53220;MM53220;C#CC(F)C(CO)OC;GAVMRVJZNUYRAQ-UHFFFAOYSA-N;132.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53221;MM53221;CC(CO)C(C#N)CF;OIFOHQWUYKBOES-UHFFFAOYSA-N;131.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53222;MM53222;CC(O)C(=N)NC=N;KZELLEBHAOBERU-UHFFFAOYSA-N;115.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53223;MM53223;C=CC(CC)C(O)CO;UVQSSOFULHTWSV-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53224;MM53224;CCC(O)C(C=O)CF;IMSVCNTVJHVHJO-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53225;MM53225;C=NOC(=N)NOC;KRIZLZJTSONBSJ-UHFFFAOYSA-N;117.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53226;MM53226;CN=C(CF)NOCC#N;GTJAHKZXTWOFLH-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53227;MM53227;N#CCC(C=NO)=CN;YVUATZWQYQUFMV-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53228;MM53228;C=NN=C(NO)N(O)CC;HFRDUZYBSJLBJJ-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53229;MM53229;CCC(O)C(C#N)OC;ATUFLMYLVXSPHR-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53230;MM53230;COC(C#N)C(O)CF;LRQCBUFXTRSBKX-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53231;MM53231;C=CC(OC)C(F)CO;AUUDCMOPUVPWJM-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53232;MM53232;COC(C#N)C(F)CO;GGKYUUXBSUWJOR-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53233;MM53233;COC(C)C(C=O)OC;HWMOWWDIWJWJFT-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53234;MM53234;COC(C)C(C#N)OC;LTMJOIYCLHAKDV-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53235;MM53235;CC=NN=C(NO)N(C)O;DTPYMHGVEQGXGH-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53236;MM53236;CC(C#N)C(C#N)CO;KNEOIMMBHFCYSO-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53237;MM53237;C#CC(=NN)N(O)C=C;BBIAIXLGLWKYRW-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53238;MM53238;C=CC(O)C(C=C)CO;NSSFFYUKEXBIIQ-UHFFFAOYSA-N;128.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53239;MM53239;C=CC(CO)C(O)C#N;RPHFFRHZMYYVKJ-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53240;MM53240;N#CC(O)C(C=O)CO;UAGPFVMYBIRTOX-UHFFFAOYSA-N;129.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53241;MM53241;N#CC(O)C(C#N)CO;VORZPFSSFFDJDM-UHFFFAOYSA-N;126.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53242;MM53242;C=CC(O)C(C=O)CF;IYPJQSPUVKDBMV-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53243;MM53243;C=CC(O)C(C#N)CF;XSNPVTYKNFVBHS-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53244;MM53244;C=CC(F)C(C=O)CO;YASZDAXLPRTVIM-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53245;MM53245;CN(C)C(CO)=NOC=O;OSJZCXNBZXXIHM-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53246;MM53246;CNC(C#N)C(O)C#N;UYIQRKNGIZSLFD-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53247;MM53247;C=NN(C)C(C)(C)CO;KWHUULWDNIYNGA-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53248;MM53248;NN=CC(F)=C(N)CO;MCRKPTUJHXJDSD-UHFFFAOYSA-N;133.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53249;MM53249;COC(C=O)C(C)C=O;HOJYGDAIPZOVEL-UHFFFAOYSA-N;130.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53250;MM53250;C=CC(OC)C(O)C#N;DNMHNUQDRWMLSL-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53251;MM53251;C=CC(O)C(C=O)OC;YZKUJDZOFRBHNP-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53252;MM53252;C=CC(O)C(C#N)OC;ZOOOZZFGFZRFRX-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53253;MM53253;COC(C=O)C(O)C#N;KORRZLXZLIAYJE-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53254;MM53254;COC(C#N)C(O)C#N;UXYGHDMOHCYEHM-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02646;MM02646;COC(C=O)C(F)C=O;YDPKPWWLRYEFHP-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02625;MM02625;COC(C#N)C(F)C=O;AWFIPPBZDXPCLP-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53255;MM53255;COC(C=O)C(F)C#N;ZHLNNTUPXIILLE-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53256;MM53256;COC(C#N)C(F)C#N;QBNJPLGRNPDLRF-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53257;MM53257;C=CC(O)CCN(C)N=C;IVEHLKKHMACAIX-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53258;MM53258;CC(CC(O)CO)N(C)C;NVQFCSGMWPHIPZ-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53259;MM53259;C=NN(CC)C(C)CO;SMNHXLRWTNUZLX-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53260;MM53260;CNC(C#CCO)C(C)C;UMQSGVWYMOHGCU-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53261;MM53261;C=NNCC(=CC)CO;PJAHGTIKQYIUPV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53262;MM53262;C=NN(C)CCC(=C)CO;CYTWFNQXPVMSMD-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53263;MM53263;C=CC(C)N(C=O)OC;VCIOYMWAGOCTDI-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53264;MM53264;CON(C=O)C(C)C#N;GXBPIFMDNJDAKI-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53265;MM53265;C#CC(C)C(C=O)CO;PJQCHSZQEUUTQF-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53266;MM53266;C#CC(O)C(C#N)CO;CFDCPNAENDZVHG-UHFFFAOYSA-N;125.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53267;MM53267;C#CC(O)C(C#N)CF;MPXDPYQMIRQGSM-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53268;MM53268;C#CC(F)C(C#N)CO;QMDAAYZVXBCTHN-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53269;MM53269;CCC(O)CCC=NN;YXCHXIVLRXDUIQ-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53270;MM53270;C#CC(O)C(C=C)OC;DOQLJQRWUOOXHK-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53271;MM53271;C#CC(O)C(C=O)OC;MGFQMMYEXPZLLF-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53272;MM53272;C#CC(O)C(C#N)OC;SZFASZIMYJHTTL-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53273;MM53273;C#CC(F)C(C=O)OC;RQTTZSWHCJKEQY-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53274;MM53274;C#CC(F)C(C#N)OC;FHVLTYPKWUBFTF-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53275;MM53275;C#CC(C)N(C=O)OC;KLYREJMITMJGRX-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53276;MM53276;C=NNCC=CC(C)O;YKIXTJJBISGVTJ-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53277;MM53277;CC(C)(O)CCC=NN;MIZSBTZZHJNLNW-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53278;MM53278;C=NN(CCO)C(C)C;BTPMSIPMFFMRRI-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53279;MM53279;C#CC(CC)C(O)CO;AZQGSMQQTZFGMA-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53280;MM53280;C=NNCC=CCCO;BIVLIBGNWNXLSH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53281;MM53281;C#CC(CO)C(O)CC;YGTVEABNFAELHF-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53282;MM53282;C=C(C)C(CO)ONC=N;FIWSQLSXGNDWGS-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53283;MM53283;C=NN=C(C)CC(=N)NO;CZJARUZEXAOLIP-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53284;MM53284;C#CC(OC)C(O)CF;WGVILAXCAWEKHW-UHFFFAOYSA-N;132.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53285;MM53285;C#CC(OC)C(F)CO;RIBAWERHZPJSNN-UHFFFAOYSA-N;132.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53286;MM53286;C#CC(CO)C(C)C#N;URZHANZPTLCQAD-UHFFFAOYSA-N;123.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53287;MM53287;C#CC(CC)C(O)C=O;WVPICQWTARKRSX-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53288;MM53288;C#CC(CF)C(O)C#N;PPHYGTCZYVLPDX-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53289;MM53289;C#CC(CO)C(F)C#N;WCCWEEPACCZCAV-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53290;MM53290;C#CC(OC)C(O)C=C;UOEAFPIPEVJLSM-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53291;MM53291;C#CC(OC)C(O)C=O;GVIISIFFNLQWGD-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53292;MM53292;C#CC(OC)C(O)C#N;HEIXTTNLTLNBNC-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15869;MM15869;C#CC(OC)C(F)C=O;PEAVUNOHEQPAFF-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53293;MM53293;CC(F)C(=O)C=NN=CN;ABPCRLUMQMTSNL-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53294;MM53294;CC(C)OCC(N)CO;LDZARZBJKVKKBA-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53295;MM53295;COCC(=O)C=NN=CN;SUTJDEABBRJZBN-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53296;MM53296;C#CC(O)C(C#C)OC;WQHKXQBILQWUMO-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02899;MM02899;CC(CF)C(C=O)C=O;BUGBDSHOPRULDS-UHFFFAOYSA-N;132.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53297;MM53297;C=CCOCC(N)CO;QVQPBKRJLWTJGH-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53298;MM53298;C=CC(C#N)C(O)CF;JIKGNASNNDIKRI-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53299;MM53299;CCC(O)C(C#N)C#N;QDQXZHXCBSFLAD-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53300;MM53300;N#CC(C#N)C(O)CO;TZKOPNNQJDGLBC-UHFFFAOYSA-N;126.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53301;MM53301;CC(C)(C)OCC(N)CO;LEXWMNRFMLMFAF-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53302;MM53302;CCC(C)OCC(N)CO;AWSQPGPHCCAPDD-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02913;MM02913;COC(C)C(C#N)C#N;UREPROGTWOXGOP-UHFFFAOYSA-N;124.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02959;MM02959;CC(C#N)C(C=O)C=O;ZBLFDMLCSMOVKU-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formyl-3-methylbutanedinitrile;MM02326;CC(C#N)C(C#N)C=O;URVVULAOSCFNPJ-UHFFFAOYSA-N;122.13;0.48;130025303;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02895;MM02895;CC(C=O)C(C#N)C#N;USLARCHTPGXWIG-UHFFFAOYSA-N;122.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Propane-1,1,2-tricarbonitrile;MM02019;CC(C#N)C(C#N)C#N;PZHRDXYDYYUOMJ-UHFFFAOYSA-N;119.13;0.81;87163210;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53303;MM53303;C=CC(O)C(C#N)C#N;NFEURGOKMATTRK-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53304;MM53304;N#CC(O)C(C=O)C=O;BFFAMOUXJLHTKA-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53305;MM53305;N#CC(C=O)C(O)C=O;YRDNSLMEEBTIHJ-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53306;MM53306;N#CC(O)C(C#N)C=O;VGPMRUFAFPZWTJ-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53307;MM53307;N#CC(O)C(C#N)C#N;NKLJWSMGODTUGF-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15690;MM15690;N#CC(C=O)C(F)C=O;XRPFOXYHBHYESP-UHFFFAOYSA-N;129.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15671;MM15671;N#CC(F)C(C#N)C=O;SPXAJYCPMBCHDG-UHFFFAOYSA-N;126.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16583;MM16583;N#CC(F)C(C#N)C#N;FFSGZYCZXYDPGY-UHFFFAOYSA-N;123.09;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53308;MM53308;CCCCOCC(N)CO;JQYRKRFIRMWQIV-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53309;MM53309;CN(C=O)C(C#N)C=O;JHVMYWSBKBBAIQ-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53310;MM53310;CN(C=O)C(C#N)C#N;INBJLRRTHJNOHP-UHFFFAOYSA-N;123.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53311;MM53311;C#CC(C)(N)CC(=C)CO;ZBZULTFMPVTEQZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53312;MM53312;C#CC(=CCO)C(C)N;NOAWDWIEXKQVDN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53313;MM53313;C=NN(C)C(C=O)C=O;QNNIMZAUGQNKDE-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53314;MM53314;CNC=NN=COC;IBTKFXVTAIKNLM-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53315;MM53315;C=CN(C=O)C(C)C#N;PAGDGLLLOAOFTP-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53316;MM53316;CC(C=O)N(C=O)C=O;VXZDUYAFPUWGBA-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53317;MM53317;CC(C#N)N(C=O)C=O;ZYVFEAAQJRMLOU-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53318;MM53318;CN(C=O)N(C=O)C=O;ORHRFWMGTTZNHA-UHFFFAOYSA-N;130.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53319;MM53319;C#CC(C)C(C=C)C=C;IJFHLSWJCIGKSB-UHFFFAOYSA-N;120.2;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15973;MM15973;C#CC(C)C(C=O)C=O;HKCDXWZVKCFPKE-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53320;MM53320;C#CC(O)C(C#N)C=C;WVGTVYPGJRKPHQ-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53321;MM53321;C#CC(O)C(C#N)C#N;IKUSCIMTGYTWSP-UHFFFAOYSA-N;120.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16030;MM16030;C#CC(F)C(C#N)C#N;JTWGOJFCIVCOCB-UHFFFAOYSA-N;122.1;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15415;MM15415;C#CC(C#N)C(C)CF;KKXCLDFANVTUNG-UHFFFAOYSA-N;125.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53322;MM53322;C#CC(C#N)C(O)CF;UTUJDEVNYVNHNN-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53323;MM53323;C#CC(C#N)C(F)CO;IAVRTIPVEZLEOO-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53324;MM53324;C#CC(=NC)NC=CCO;SUTLHJYPCTXIIR-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53325;MM53325;C=C(CF)N(C=N)CC=O;FCDANWMIVSGDMF-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53326;MM53326;C#CCCN(C)CCCO;OBWUIHFREHBEPC-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53327;MM53327;C#CC(C=O)C(C)C=C;KYCNMUPUFPYOCP-UHFFFAOYSA-N;122.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53328;MM53328;C#CC(C=O)C(C)C#N;XFOXCOCRLDNDPF-UHFFFAOYSA-N;121.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15708;MM15708;C#CC(C#N)C(C)C=O;LWQAIBHNYLVFSS-UHFFFAOYSA-N;121.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethynyl-3-methylbutanedinitrile;MM01991;C#CC(C#N)C(C)C#N;NRHXARNSJHEDPH-UHFFFAOYSA-N;118.14;0.92;87162968;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53329;MM53329;CC(C)(C)NC(=O)CCN;IWRPQMHTKWRIMR-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53330;MM53330;C#CC(C=C)C(O)C=O;GMIXYHITSRCYAO-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53331;MM53331;C#CC(C=C)C(O)C#N;FXOQXRYCPIEOCX-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53332;MM53332;C#CC(C#N)C(O)C=C;FYCWSRLOSIBYEJ-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53333;MM53333;C#CC(C=O)C(O)C#N;NQZFKFZHIUAGRF-UHFFFAOYSA-N;123.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53334;MM53334;C#CC(C#N)C(O)C#N;VLUZGBGUJSLAEE-UHFFFAOYSA-N;120.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15693;MM15693;C#CC(C=O)C(F)C=O;QELNTLRMICVGAA-UHFFFAOYSA-N;128.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53335;MM53335;C#CCNCCCNC=O;FVLHBHRWKRDXNM-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53336;MM53336;C#CC(C#N)N(C)C=O;OOOLSBFNFQSRMK-UHFFFAOYSA-N;122.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53337;MM53337;CCOC=NN=CNC;SBFFWYNWWGVUQQ-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53338;MM53338;CCCCNC(=O)CCN;KCLTWWKMEKVSQT-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15421;MM15421;C#CC(C)C(C#C)C#N;DEOZYYIJVUWNAE-UHFFFAOYSA-N;117.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53339;MM53339;C#CC(O)C(C#C)C=O;FVYIAETWDXJFEB-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53340;MM53340;C#CC(O)C(C#C)C#N;QJLXGQAIBKOHHL-UHFFFAOYSA-N;119.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53341;MM53341;C=C(CO)CC#CC(C)N;PGYHGMOREAUYMX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53342;MM53342;C#CC(C#C)C(O)CO;XDJWTFCAISQKBD-UHFFFAOYSA-N;124.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53343;MM53343;C#CC(C#C)C(F)CO;TVIRZKCPZJDLLE-UHFFFAOYSA-N;126.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53344;MM53344;C#CC(C#C)C(C)C#N;QLJVBBNKNDLXCL-UHFFFAOYSA-N;117.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53345;MM53345;C#CC(C#C)C(O)C=O;LSRAPJYIXQKDAN-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53346;MM53346;C#CC(C#C)C(O)C#N;FJZYNIRVYGSOIW-UHFFFAOYSA-N;119.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53347;MM53347;C#CC(C#C)N(C)C=O;GXHMGFFDXWIVJD-UHFFFAOYSA-N;121.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53348;MM53348;CC=NOC(=N)NOC;IOJDUOSDZMDFJI-UHFFFAOYSA-N;131.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53349;MM53349;C#CC(O)C(C#C)C#C;SBLFFESRPPJOMH-UHFFFAOYSA-N;118.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53350;MM53350;C=C(CO)CC#CCNC;DGLHECRXINSUSG-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53351;MM53351;CCC(CO)C(=O)CO;VQWDNMRWOIAVDJ-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53352;MM53352;CCC=NOC(=N)NOC;PCVGNFGGKZXNMW-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53353;MM53353;COC(=O)C(CO)CO;FVKYQLGMBBWJPR-UHFFFAOYSA-N;134.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53354;MM53354;C=C(CC)C(CO)OC;IPCUEEQJRKVSBI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53355;MM53355;C=C(CO)C(CO)OC;GUNHUVCTKLGDEQ-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53356;MM53356;C=C(CF)C(CO)OC;XXNZDRDZWKWUFB-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53357;MM53357;CCC(OC)C(=O)NC;BWMOKBYTERTNFO-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53358;MM53358;CC(N)C#CC(C)CO;OBTAJBRXAUQJNW-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53359;MM53359;CNC(=O)C(CO)OC;XTQBGXKEFJJSNV-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53360;MM53360;C=C(OC)C(CO)OC;ZFWFXAQGPLXACU-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53361;MM53361;C=C(CO)C(OC)OC;OSNAAOUTCXVUON-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53362;MM53362;C=C(CF)C(OC)OC;QFUQWNYHOJMZEP-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02701;MM02701;COC(OC)C(=O)CF;FRNFOUMFGVEDTE-UHFFFAOYSA-N;136.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53363;MM53363;CNCC#CC(C)CO;WEYDMCUKCBBBIC-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53364;MM53364;CNC(=O)C(OC)OC;DMXWTPFBNGSLBB-UHFFFAOYSA-N;133.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53365;MM53365;COC(OC)C(=O)NN;LSGVRDCZPXJXLH-UHFFFAOYSA-N;134.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53366;MM53366;C=C(OC)C(OC)OC;HDWBZPODSAPGHF-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53367;MM53367;NCCC(N)=O;RSDOASZYYCOXIB-UHFFFAOYSA-N;88.11;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53368;MM53368;CCN(CC)C(=O)CO;RZCCQWOCSZOHMQ-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53369;MM53369;CON(CCC=O)C(C)=N;YMZQBCRMWXWCAL-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53370;MM53370;CCN(CC)C(=O)NC;CSAUXMDYLYBUNJ-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53371;MM53371;CC(=CF)C(=N)NCC=O;WPKMYIDJZVKGSO-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53372;MM53372;CCC(=O)N(CC)OC;NBPRVKNJAYMTKW-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53373;MM53373;C=NN=C(NC)NCC;QVMNFWFLGMKYSH-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53374;MM53374;CCN(C)C(C)CC=O;VKFNWILCCARGQB-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53375;MM53375;CCN(OC)C(=O)NC;NQRZNUIGTDUZPD-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53376;MM53376;CCN(OC)C(=O)OC;KYLGQLVUTRMBIO-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53377;MM53377;C=C(C=O)C(CO)CF;FZMDMLMHCWIUEK-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53378;MM53378;C=C(C#N)C(CO)CF;YCEDLMMWNRMCHO-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53379;MM53379;CCC(CO)C(=O)C=O;OWKLAFVRXIOIHV-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53380;MM53380;CCC(CO)C(=O)C#N;IYVDRTQULPHIAE-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53381;MM53381;N#CC(=O)C(CO)CO;AQUOPCFPORASLV-UHFFFAOYSA-N;129.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53382;MM53382;C=CC(=O)C(CO)CF;AUWURTWQWGWZMK-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53383;MM53383;N#CC(=O)C(CF)CF;BWMUPRYMMTWHTF-UHFFFAOYSA-N;133.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53384;MM53384;C=C(C#N)C(CO)OC;AYYPHWKFQRJRBL-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53385;MM53385;CCC(OC)C(=O)C=O;IUAXFGVANDQNMF-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53386;MM53386;C=C(C=O)C(OC)OC;YURJSPVYEFWXQP-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53387;MM53387;COC(OC)C(=O)C=O;NOUNRWWJSPOXRE-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53388;MM53388;COC(OC)C(=O)C#N;OFUBFFVMYBREKB-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53389;MM53389;C#CC(=O)C(CF)CF;SVZIGOJUMNCDLA-UHFFFAOYSA-N;132.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53390;MM53390;C#CC(=C)C(CO)OC;IKYKPBHCVHHJFK-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53391;MM53391;C#CC(=O)C(CF)OC;FWEICFRSZGRFJT-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53392;MM53392;C#CC(=O)N(CC)OC;IGOZVJNWRPVMCT-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53393;MM53393;C=CN(O)C(=NN=C)NO;YQOABPUUKKYKEM-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53394;MM53394;C=CC(CO)C(=C)CO;MXJQAIHARURINR-UHFFFAOYSA-N;128.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53395;MM53395;C=C(CC)C(C#N)CO;OQQCSBXQYBITHW-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53396;MM53396;C=C(CO)C(C#N)CO;XTLJJFBHXYDQFU-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53397;MM53397;C=C(CF)C(C=O)CO;ZGDFKXXWWNFYHC-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53398;MM53398;C=C(CF)C(C#N)CO;ORUMIDCSRVROMG-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53399;MM53399;C=CC(CF)C(=C)CO;VPFUJEAGPVXUJG-UHFFFAOYSA-N;130.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53400;MM53400;CCC(C#N)C(=O)CO;OODZFKSZIROZOT-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53401;MM53401;C=CC(CF)C(=O)CO;PFYFAGVIUGVVOG-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15994;MM15994;CCC(=O)C(C=O)CF;IWHTYUDEGRSCOB-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53402;MM53402;CC(N)C#CC(C)C(C)O;NYORHERLYBMPDF-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53403;MM53403;C=C(NC(=O)NC=N)OC;VVGLVTAGWBJWBY-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53404;MM53404;C#CCNCCCC=O;LCLJHFKFMDMIJB-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53405;MM53405;CNN=C(CC#N)C(=N)N;GZSKBDUHXUSJGN-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53406;MM53406;CCC(C#N)C(=O)NC;NEFIZVMAZOOCNX-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53407;MM53407;C=CC(CO)C(=O)NC;MFEUDCVAMMTXQR-UHFFFAOYSA-N;129.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53408;MM53408;C=CC(CF)C(=O)NC;GECNICMDLBAFNH-UHFFFAOYSA-N;131.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53409;MM53409;C=C(OC)C(C#N)CO;ZZTVOEUXKFTUMG-UHFFFAOYSA-N;127.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53410;MM53410;C=CC(CO)C(=O)OC;JOGMNMYLBVFXDP-UHFFFAOYSA-N;130.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53411;MM53411;CNC=C(C#N)C(=N)NC;ZDMAAMGXYCCPGR-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53412;MM53412;CCN=C(C=O)N(O)C=N;LOEGNSXFDMSWEU-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53413;MM53413;C=C(CO)C(C=O)OC;GCXYPYCISYSXHC-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53414;MM53414;C=C(CO)C(C#N)OC;QTMYDKQHQYZUHQ-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15868;MM15868;CCC(=O)C(C=O)OC;NTGNIKPJBILWTJ-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-methoxy-3-oxopentanenitrile;MM02616;CCC(=O)C(C#N)OC;KRWZFJVUQMAMTI-UHFFFAOYSA-N;127.14;0.5;87485399;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53415;MM53415;COC(C#N)C(=O)CO;WKZLLKPYBVHDAR-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53416;MM53416;COC(C=O)C(=O)CF;DSAPJJWZLSTZHG-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02615;MM02615;COC(C#N)C(=O)CF;HXYVNTBHSKFODD-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53417;MM53417;CCN=C(NO)OC=O;CMQARBVRRGKDFV-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53418;MM53418;CCCNC(=NN)NOC;NYMUVYNKJREODJ-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53419;MM53419;C=C(C)C(=N)NC(C)=NN;BAGKGAIOZUDRMB-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53420;MM53420;CNC(=O)C(C#N)OC;MFERTQQVVVUJLC-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53421;MM53421;COC(C#N)C(=O)NO;VVZLKXFDJCRJCO-UHFFFAOYSA-N;130.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53422;MM53422;C=C(OC)C(C#N)OC;PTIXYYAKCMACAR-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53423;MM53423;C=CC(OC)C(=O)OC;IXKOMDFVTNEXJC-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53424;MM53424;COC(=O)C(C=O)OC;QKHALHCFBSZCMU-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53425;MM53425;COC(=O)C(C#N)OC;ZWZIOZXSTUXADY-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53426;MM53426;C=C(CO)N(C=O)CC;MBMGYGAFNIADAJ-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53427;MM53427;CCC(=NN)NCCOC;JPRHUZYJWQTKBF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53428;MM53428;CNN=C(CN)C(=N)N;QDEIKCBWCVGAFX-UHFFFAOYSA-N;129.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53429;MM53429;C=CN(CC)C(=O)NC;GVIJBRCSUOVNFK-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53430;MM53430;CCN(C=O)C(=O)OC;YFOXKFCLPNCYQT-UHFFFAOYSA-N;131.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53431;MM53431;COC(CCN(C)C)=NN;BKCHIXGUPQDKPM-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53432;MM53432;C#CCN(N=C)C(=N)N;XHSMWNYQCFBFKZ-UHFFFAOYSA-N;124.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53433;MM53433;CNN=CC(F)=C(N)CO;PHKCVJHYKVMANU-UHFFFAOYSA-N;147.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53434;MM53434;CCC(=O)N(C=O)OC;LZXGDMHBXCAUJW-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53435;MM53435;C=COC(C#N)=CNC=N;YWOPMJLLYIFWNH-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53436;MM53436;C=NN=CC(=NC)N(C)O;GTTWIBPTZKGQHQ-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53437;MM53437;CC=NNCCC(O)CC;YODLTXAQCPEBAZ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53438;MM53438;C=CN(OC)C(=O)NC;RPZLVJUSFAYHMO-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53439;MM53439;C=NNCC#CC(N)CC;UYFIBSYCRVEYIU-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53440;MM53440;C=CN(OC)C(=O)NO;VKGSVOUVDNANOQ-UHFFFAOYSA-N;132.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53441;MM53441;CC=NNCCC(C)(C)O;YQYOKGLEKJLOHH-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53442;MM53442;CON(C=O)C(=O)NN;DTANLAMLBDJEQL-UHFFFAOYSA-N;133.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53443;MM53443;C=C(OC)N(C=O)OC;SKLZZEMSABTLBH-UHFFFAOYSA-N;131.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53444;MM53444;C=CN(OC)C(=O)OC;FJGZECHSFUTKAJ-UHFFFAOYSA-N;131.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53445;MM53445;COC(=O)N(C=O)OC;RZAAWMRQZASITL-UHFFFAOYSA-N;133.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53446;MM53446;C=CC(=C)C(C=O)CO;LTEIDRGCCXSZAF-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53447;MM53447;C=C(C#N)C(C#N)CO;YOPJOUZSKUGANE-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02088;MM02088;CCC(C=O)C(=O)C=O;JGXSPLBUFTXVBT-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53448;MM53448;N#CC(=O)C(C=O)CO;RYXXMPPFZZWINC-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53449;MM53449;N#CC(=O)C(C#N)CO;NFSFIPDGRBKIBD-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15564;MM15564;C=CC(CF)C(=O)C#N;YGRCDRHWDDVLJH-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15979;MM15979;C=CC(=O)C(C=O)CF;IPAOWPRAAMQSQZ-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15532;MM15532;O=CC(=O)C(C=O)CF;INHZYBYJCLJPQG-UHFFFAOYSA-N;132.09;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16587;MM16587;N#CC(CF)C(=O)C=O;RRURMIJLNMZXAT-UHFFFAOYSA-N;129.09;-0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15525;MM15525;N#CC(=O)C(C=O)CF;HICBMOHMRRBHCG-UHFFFAOYSA-N;129.09;-0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53450;MM53450;C#CC(O)(CNC)C(C)F;WWMUHQYGFMCPOU-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53451;MM53451;CNC(C#N)C(=O)C#N;MJMVHDNIGXMYIJ-UHFFFAOYSA-N;123.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53452;MM53452;C=C(C=O)C(C=O)OC;CJXRBGCMPLQIEO-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53453;MM53453;C=C(C=O)C(C#N)OC;ZDNRBSBVTYSHRA-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53454;MM53454;C=C(C#N)C(C#N)OC;ZCNQZKCXNYVRBB-UHFFFAOYSA-N;122.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53455;MM53455;C=CC(OC)C(=O)C=O;GESIPUWWLNNWGG-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15873;MM15873;C=CC(OC)C(=O)C#N;CAUIOHPKAINWDF-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15871;MM15871;C=CC(=O)C(C=O)OC;SODWLNCTWOUSCG-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15855;MM15855;C=CC(=O)C(C#N)OC;UIQWYNGESXVAGF-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02985;MM02985;COC(C=O)C(=O)C=O;JABYXFBYCOCMFL-UHFFFAOYSA-N;130.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53456;MM53456;COC(C#N)C(=O)C=O;YIKYNTNVIFKBSE-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53457;MM53457;COC(C=O)C(=O)C#N;XAYDQIRCFYUDBD-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02607;MM02607;COC(C#N)C(=O)C#N;JCFDTVORGVSJNH-UHFFFAOYSA-N;124.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53458;MM53458;C=CN(CC)C(=O)C#N;PZHLRWBSEOAYKY-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53459;MM53459;CCN(C=O)C(=O)C#N;JMXUNQTZDQWKPO-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53460;MM53460;C=CN(OC)C(=O)C=O;RXYZMVQAQUXDMF-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53461;MM53461;C=CN(OC)C(=O)C#N;LIMZWVQKTXBBJG-UHFFFAOYSA-N;126.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53462;MM53462;C#CC(=C)C(C=O)CO;FMQQYODDJLBTOO-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53463;MM53463;C#CC(=O)C(C=O)CO;JKMFBENBHCYGPC-UHFFFAOYSA-N;126.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53464;MM53464;C#CC(=O)C(C#N)CO;AEJQPURBSKTTMI-UHFFFAOYSA-N;123.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53465;MM53465;C#CC(=O)C(C=O)CF;ICQUPPBFERNZER-UHFFFAOYSA-N;128.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53466;MM53466;C#CC(=C)C(C#N)OC;YBGXHICYQRKBGG-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53467;MM53467;C#CC(=O)C(C=C)OC;HAAICEXVCDCYPE-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15863;MM15863;C#CC(=O)C(C=O)OC;MZVQZOGEAAUPHP-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15846;MM15846;C#CC(=O)C(C#N)OC;MCKLHSUIIDAQAW-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53468;MM53468;C#CC(=C)N(C=O)OC;KUDAWTFSGWQYFN-UHFFFAOYSA-N;125.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53469;MM53469;C#CC(=O)N(C=C)OC;FBWZURPFMBBJBL-UHFFFAOYSA-N;125.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53470;MM53470;C#CC(=O)N(C=O)OC;ZOTQVPYGHIJMRW-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53471;MM53471;CC=NNCCC(C)CO;SSFWIENNNKJPEM-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53472;MM53472;C#CC(CO)C(=O)CC;QDKNUMPZCOWAOZ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53473;MM53473;CC=NNCCCCCO;KKSNKWDJRIJILT-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53474;MM53474;C#CC(CO)C(=C)OC;HMRNRHVFTSFWRP-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53475;MM53475;C#CC(CO)C(=O)OC;KZLGKVBTGMXMMS-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53476;MM53476;C=CC(=NN)ONC=NN;VGUPTRLOXCFULP-UHFFFAOYSA-N;143.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53477;MM53477;C#CC(OC)C(=C)CO;HQEXOLOLQTXCLP-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53478;MM53478;C#CC(OC)C(=O)CO;SMAOFEBGXSIJSU-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15851;MM15851;C#CC(OC)C(=O)CF;BJZSLHZMPJZHSE-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53479;MM53479;C#CC(O)C(=N)NCC=C;XEGYWOGGRHCDJF-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53480;MM53480;C#CC(OC)C(=O)NC;YUOSPWFMSBVNPO-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53481;MM53481;C#CC(OC)C(=O)NN;MJQYOQRRDGKALC-UHFFFAOYSA-N;128.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53482;MM53482;C#CC(OC)C(=O)OC;OHULMWYDZJNDFW-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53483;MM53483;C#CC(CO)C(=C)C=O;SQODEAUFBPQVFC-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53484;MM53484;C#CC(CO)C(=C)C#N;UQCWCOAWMCDUJD-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53485;MM53485;C#CC(CO)C(=O)C=C;RNWAVUMELMXLHR-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53486;MM53486;C#CC(CF)C(=O)C=O;GLNVXLBJOCQPIP-UHFFFAOYSA-N;128.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53487;MM53487;C#CC(OC)C(=O)C=O;FUWIECHFRYGELE-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53488;MM53488;C#CC(=O)C(C#C)CO;FHYUHOCLBAWWNB-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53489;MM53489;CC#CC#CC(O)CNC;FSXOLZVYVWZKMA-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53490;MM53490;C#CC(=O)C(C#C)OC;YVVOXYYMSLSPAV-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53491;MM53491;C=CC(C=O)C(=C)CO;ISPMHJOROXGGBU-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53492;MM53492;C=C(CO)C(C#N)C#N;QKIWQSQETIBSFX-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-propanoylpropanedinitrile;MM02228;CCC(=O)C(C#N)C#N;PBARHCQLOWJLRE-UHFFFAOYSA-N;122.13;0.63;54179839;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53493;MM53493;N#CC(C=O)C(=O)CO;QJRWZDRXCFWAFX-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53494;MM53494;N#CC(C#N)C(=O)CO;XUKBDSHUCZLIJX-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15581;MM15581;N#CC(C#N)C(=O)CF;UJIFFKDGQYIMCU-UHFFFAOYSA-N;126.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53495;MM53495;C=CC(C#N)C(=O)NC;PYSAHGUJXUUVKT-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53496;MM53496;C=CC(C#N)C(=O)NO;VHUUEGJRSWQXCC-UHFFFAOYSA-N;126.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53497;MM53497;CNC(=O)C(C#N)C#N;JTCNXBYYONYSMV-UHFFFAOYSA-N;123.12;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53498;MM53498;N#CC(C#N)C(=O)NO;VUSAERKXNSMNNY-UHFFFAOYSA-N;125.09;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15813;MM15813;C=C(OC)C(C=O)C=O;DYTBJJVAQXFKAO-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(1-methoxyethenyl)propanedinitrile;MM02548;C=C(OC)C(C#N)C#N;IMVWAQKSEOJVAX-UHFFFAOYSA-N;122.13;0.81;141317843;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53499;MM53499;COC(=O)C(C#N)C=O;VUGUYUYUUSEBQP-UHFFFAOYSA-N;127.1;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2,2-dicyanoacetate";MM02026;COC(=O)C(C#N)C#N;QYIAMKIMEWJTFH-UHFFFAOYSA-N;124.1;-0.18;10931428;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53500;MM53500;C=C(CO)N(C=O)C=O;MBKNOUGOYFNWLE-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53501;MM53501;C=CC(=C)C#CC(O)CN;SZRVFMJOCAYVAL-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53502;MM53502;CON=C(C)C(C#N)=CN;OHUSNUSNLLOCKD-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53503;MM53503;CNC=NN=COCOC;HZXSIKOILCLHOB-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53504;MM53504;C=NNC(=N)C#CCF;SZVLIFCTKQSBOX-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53505;MM53505;N=C(CO)N(C=O)C=O;UQUKGUFFKXNKGC-UHFFFAOYSA-N;130.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53506;MM53506;C=CN(C=C)C(=O)CC;CIQZQOULCGHGBH-UHFFFAOYSA-N;125.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53507;MM53507;CC=CN=C(C)NNC=O;LEMWFMXEKDSJMR-UHFFFAOYSA-N;141.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53508;MM53508;N=CN(C=O)C(=O)CO;CACKOWKWZCDBJP-UHFFFAOYSA-N;130.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53509;MM53509;N=CN(C=O)C(=O)CF;YBNOVSVEONXLPF-UHFFFAOYSA-N;132.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53510;MM53510;CCC(=O)N(C=O)C=O;DALKCVFUGUOCEX-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53511;MM53511;C=C(C(C)=O)C(N)=NOC;FEOUCFCNXUHQBU-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53512;MM53512;C=NOC(=N)NOCC;AENLZAPWBHFHSC-UHFFFAOYSA-N;131.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53513;MM53513;CN=C(C(C)=NO)N(C)O;ZAGJNOSXRYKBEH-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53514;MM53514;C#CC(=C)C(=NO)N(C)C;XCUJGHJVROZWBV-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53515;MM53515;C=CN(C=C)C(=O)NC;QUFMVDQHLIXYTB-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53516;MM53516;CNC(=NO)NC(C)C#N;LIFHELMQYCUVLX-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53517;MM53517;C=CN(C=O)C(=O)NC;UPOFSRQBUUWHRM-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53518;MM53518;N=CN(C=N)C(=O)NO;IQHSQISJZJUGNN-UHFFFAOYSA-N;130.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53519;MM53519;NNC(=O)N(C=O)C=O;DINHFUNTRLBKJJ-UHFFFAOYSA-N;131.09;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53520;MM53520;O=CN(C=O)C(=O)NO;HBZXOWYOYOWCPY-UHFFFAOYSA-N;132.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53521;MM53521;C=C(OC)N(C=O)C=O;MBFZMIXZZGMINQ-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53522;MM53522;COC(=N)N(C=O)C=O;OOHZJNUETMZTTF-UHFFFAOYSA-N;130.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53523;MM53523;C=CN(C=C)C(=O)OC;NJTJBLWOFBXPIF-UHFFFAOYSA-N;127.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53524;MM53524;C=CN(C=O)C(=O)OC;GZUSNBWCTGQFCN-UHFFFAOYSA-N;129.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53525;MM53525;CC(N)C#CCC(O)CF;BMWUIGBXIYAMDO-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53526;MM53526;CNCC#CCC(O)CF;HHBANTAAZSMGBD-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53527;MM53527;CNN=CN(O)C(=N)NC;ZANAWLOLWURJLL-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53528;MM53528;C=CN(N=C)C(=O)NO;SVWFTFWMAWFIER-UHFFFAOYSA-N;129.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53529;MM53529;C=NN(C=N)C(=O)NN;NGHNPAMERFRRSL-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53530;MM53530;C=NN(C=O)C(=O)NO;NHSXAVYDPPNOOE-UHFFFAOYSA-N;131.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02403;MM02403;C=CC(=C)C(C=O)C=O;AUTNEEQNGDVRJM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02086;MM02086;C=C(C#N)C(C=O)C=O;LFSVGXCJHCTHGN-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15777;MM15777;C=C(C=O)C(C#N)C=O;PKSIGYCKDRWFKE-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15663;MM15663;C=C(C#N)C(C#N)C=O;JDTDQCDPMCOFOM-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01944;MM01944;C=C(C#N)C(C#N)C#N;ZSCUORGTIHJXJV-UHFFFAOYSA-N;117.11;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02100;MM02100;C=CC(C#N)C(=O)C#N;PONYIAMLQHEQPT-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02498;MM02498;C=CC(=O)C(C#N)C#N;VAQVYNIBDWXPTO-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formyl-3,4-dioxobutanenitrile;MM02033;N#CC(C=O)C(=O)C=O;UPOCKHAVQZMQRA-UHFFFAOYSA-N;125.08;-0.91;91203252;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15508;MM15508;N#CC(=O)C(C=O)C=O;WWDYTIMWPUKUDQ-UHFFFAOYSA-N;125.08;-0.91;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2-dicyanoacetyl Cyanide";MM02827;N#CC(=O)C(C#N)C#N;JDNAQHJPGBNHSB-UHFFFAOYSA-N;119.08;-0.26;138971044;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15968;MM15968;N#CC(C#N)C(=O)C=O;LAMLCFWOKRDWDN-UHFFFAOYSA-N;122.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53531;MM53531;C=CN(C=O)C(=C)C=O;VEFGFMYAQYUJNV-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53532;MM53532;C=CN(C=O)C(=C)C#N;PFJPQDJYKLNDIE-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53533;MM53533;C=C(C=O)N(C=O)C=O;WGAKWBYLNGJKJK-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53534;MM53534;C=C(C#N)N(C=O)C=O;UZYKMTJZUUMAMA-UHFFFAOYSA-N;124.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53535;MM53535;C=CN(C=O)C(=N)C=O;MORJAVQHKYOEQX-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53536;MM53536;C=CN(C=O)C(=N)C#N;JMHOMJNPAOIRJL-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53537;MM53537;N=C(C=O)N(C=O)C=O;UAOHPTWDARCOPX-UHFFFAOYSA-N;128.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53538;MM53538;N#CC(=N)N(C=O)C=O;WMRUBCGBLXLAMJ-UHFFFAOYSA-N;125.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53539;MM53539;C=CN(C=C)C(=O)C#N;IWICUSAMVBNVSD-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53540;MM53540;C=CC(=O)N(C=C)C=O;OWTAUPFJLXKEJN-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53541;MM53541;C=CN(C=O)C(=O)C#N;FVUJTDRVMJJUJV-UHFFFAOYSA-N;124.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53542;MM53542;N#CC(=O)N(C=N)C=O;FVCNWKZTMYRZEL-UHFFFAOYSA-N;125.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53543;MM53543;C=CC(=O)N(C=O)C=O;SZIBTRHCJWDRPX-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53544;MM53544;O=CC(=O)N(C=O)C=O;YZEGQUPFPGJAMC-UHFFFAOYSA-N;129.07;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53545;MM53545;N#CC(=O)N(C=O)C=O;NENDAUYYMZDBJS-UHFFFAOYSA-N;126.07;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15501;MM15501;C#CC(=C)C(C#N)C#N;SVJOPFWSXAEGSO-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15509;MM15509;C#CC(=O)C(C=O)C=O;DOEDVGGQWMAWKG-UHFFFAOYSA-N;124.1;-0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15521;MM15521;C#CC(=O)C(C#N)C=O;XRCSTCDECQVHHB-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53546;MM53546;C#CC(=C)N(C=C)C=O;BBVCINHXOUSTIS-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53547;MM53547;C#CC(=C)N(C=O)C=O;GIPQZINMEKKGBY-UHFFFAOYSA-N;123.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53548;MM53548;C#CC(=N)N(C=O)C=O;ANDFCKZCVKVQQE-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53549;MM53549;C#CC(=O)N(C=C)C=O;FJPKAULQGYJHSD-UHFFFAOYSA-N;123.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53550;MM53550;C#CC(=O)N(C=N)C=O;IRMNCCHAPMDGAL-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53551;MM53551;C#CC(=O)N(C=O)C=O;TUFMWGMOCWOXQJ-UHFFFAOYSA-N;125.08;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53552;MM53552;C#CC(C=O)C(=C)CO;BMSVZCKWSJYPRH-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53553;MM53553;C#CC(C#N)C(=C)CO;DRILYABBUPLRKE-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53554;MM53554;C#CC(C=C)C(=O)CO;VNDAUNGDSHNJGT-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53555;MM53555;C#CC(C=O)C(=O)CF;SDYGTHTZGIKKSJ-UHFFFAOYSA-N;128.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15583;MM15583;C#CC(C#N)C(=O)CF;NWKAXIXKSDHWBA-UHFFFAOYSA-N;125.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53556;MM53556;C#CC(C=O)C(=O)OC;KLPSGHYZOCWWAB-UHFFFAOYSA-N;126.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15502;MM15502;C#CC(C#N)C(=C)C#N;ZQUXJQSEDDNGQZ-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15536;MM15536;C#CC(C=O)C(=O)C=O;CYQVGBDZRJIEQF-UHFFFAOYSA-N;124.1;-0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15567;MM15567;C#CC(C#N)C(=O)C=O;WHRWBGIRBKXACF-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15527;MM15527;C#CC(C=O)C(=O)C#N;NBHLRCHJZAADGL-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15549;MM15549;C#CC(C#N)C(=O)C#N;MEVMITWZXXRDSD-UHFFFAOYSA-N;118.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16012;MM16012;C#CC(=O)C(C#C)C=O;ORSNVBYHJKHHAF-UHFFFAOYSA-N;120.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53557;MM53557;C=CC(O)C(N)COCC;CYQOOXLTBVEPAF-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53558;MM53558;C#CC(C#C)C(=O)NC;VHKDHQXNOGNFAA-UHFFFAOYSA-N;121.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53559;MM53559;C=C(CF)C(O)CN(C)C;AJYYALRNBWAJHZ-UHFFFAOYSA-N;147.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53560;MM53560;C#CC(C#C)C(=O)NO;BCSZCZAIXMKXLC-UHFFFAOYSA-N;123.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53561;MM53561;C#CC(C#C)C(=O)OC;GUOYDBRWQUMBAN-UHFFFAOYSA-N;122.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15571;MM15571;C#CC(C#C)C(=O)C=O;QDYXCEMZTZZQNC-UHFFFAOYSA-N;120.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15759;MM15759;C#CC(=O)C(C#C)C#C;OGPHGTLXMMZYOG-UHFFFAOYSA-N;116.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53562;MM53562;CC(=NO)C(CO)CO;IWMMMCZZDQIYNB-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53563;MM53563;C#CC(O)CC#CC(C)N;PEOAIPZMQIAVAQ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53564;MM53564;C#CC(O)CC#CCNC;VQHJDSVQYRWHRC-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53565;MM53565;COC(OC)C(C)=NO;WIBYEQIPBJRAPV-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53566;MM53566;CC(=CF)C(C#N)CO;SKMFOTYRRUGDJS-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53567;MM53567;C=CC(CO)C(C)=NO;BDGIQIDYCTVUFM-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53568;MM53568;CC(=NO)C(C=O)CO;CLRMELQBHNGIBX-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53569;MM53569;CC(=NO)C(C=O)CF;HIHZNYDMDSLRQS-UHFFFAOYSA-N;133.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53570;MM53570;CCNC(=NO)NCC#N;JEUTZTTUDUUBIY-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53571;MM53571;C=CC(OC)C(C)=NO;SRZMYRJIRDNCLI-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53572;MM53572;COC(C#N)C(C)=NO;NKTOKOXFKBFEDI-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53573;MM53573;CC(N)C#CCC(F)CO;XOHVXHPQLRZLPP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53574;MM53574;CNCC#CCC(F)CO;XIDKQPOFZDDYPX-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53575;MM53575;CNN(C=O)C(C)=NO;OCVJEOKBHXQORZ-UHFFFAOYSA-N;131.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53576;MM53576;CC=C(C)N(C=O)OC;JNACBEHJVAPIJE-UHFFFAOYSA-N;129.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53577;MM53577;C=CN(OC)C(C)=NO;SMVHVMGMUUZLIJ-UHFFFAOYSA-N;130.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53578;MM53578;C#CC(O)CN(C)CC#N;HLCSTZWBRRXKQQ-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53579;MM53579;C#CC(CO)C(C)=NO;MZTWBPHNTOPRTQ-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53580;MM53580;C#CC(CF)C(C)=NO;XWGATAYIPBQYIP-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53581;MM53581;CC(=NO)C(C#N)C=O;RJXWMWIYTSKJBW-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53582;MM53582;CC(=NO)C(C#N)C#N;LLLPTLKDNXNVQK-UHFFFAOYSA-N;123.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53583;MM53583;C=CN(C=O)C(C)=NO;SERORZWJDRYPCL-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53584;MM53584;N#CC(=N)N(O)C=N;KQIZDHWJCWEKGG-UHFFFAOYSA-N;112.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53585;MM53585;CC(=NO)N(C=N)C=O;XYVPWJMMKCEQQR-UHFFFAOYSA-N;129.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53586;MM53586;CN=C(C)N(C=O)C=O;PYIMBFLUYSJYHU-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53587;MM53587;CC(=NO)N(C=O)C=O;DEZPBMGYWGRGJH-UHFFFAOYSA-N;130.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53588;MM53588;C=CC(C)(O)CN(C)N=C;QNJAGUGJSSLQBZ-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53589;MM53589;C=CN(N=C)C(C)=NO;OCZNESDVMYYBRT-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53590;MM53590;C#CC(C#C)(CN)C(C)O;VEILLQYBGUCGMN-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53591;MM53591;CC(CO)C(=CF)CO;OAENVFXHILYORM-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53592;MM53592;COCC(O)CCN(C)C;IZHFSYRKMXMECP-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53593;MM53593;CC=C(CF)C(O)CO;LRTRFLRDVOFWRG-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53594;MM53594;CC=C(CO)C(F)CO;HDYVPUDTBBNYGX-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53595;MM53595;C#CC(C#CC)(CN)CO;NPLZLEAFCBRQFO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53596;MM53596;CCC(O)C(CF)=NO;LHWQAGHSCATTJB-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53597;MM53597;COC(CO)CCN(C)C;IUHVJXFVJRUFFO-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53598;MM53598;CCC(F)C(CO)=NO;LREGXELUXHUAAS-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53599;MM53599;CC=NNCC(C)(O)CC;MZFVLFPMBUJAHO-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53600;MM53600;C=CC(=CCO)C(=N)NO;MKFYZJCFJUEEIW-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53601;MM53601;COC(C)C(CO)=NO;RKQTWRBYJRHMAC-UHFFFAOYSA-N;133.15;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53602;MM53602;COC(C)C(CF)=NO;CJBSLKFWFFGNTP-UHFFFAOYSA-N;135.14;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53603;MM53603;CCC(C)C(=NO)NO;SLLSNABJHZKVSR-UHFFFAOYSA-N;132.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53604;MM53604;C=NN(C)CC(=C)C(C)O;FENMOTUHRALZLP-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53605;MM53605;CC=CC(N)=CC(=N)NO;NHNZENHJXHFZDE-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53606;MM53606;N#CCNC(=N)C(F)C=O;ZOJLSSCEKJPZIK-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53607;MM53607;C=NNC(C)C(=C)CO;PLHDTFBBAKVUDP-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53608;MM53608;CNC(=NO)C(C)OC;ODWLTNXEXBKDEJ-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53609;MM53609;C=NN(C)CC(C)O;XHYOVEGUMXTZSH-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53610;MM53610;CN(O)C=NC=NC=O;SNFKVOCPIWWOHH-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53611;MM53611;CC=C(OC)C(O)CO;AMKQJAVKPBOJBB-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53612;MM53612;C#CC(=NOC)NCCO;MCAYVLFOFZHBEW-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53613;MM53613;COC(=NO)C(C)CO;CAYJOWLTOLGYCA-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53614;MM53614;COC(=NO)C(C)CF;RFEDQLGXBSOUDY-UHFFFAOYSA-N;135.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53615;MM53615;N#CC(=N)NC=CCO;CPMDSIYIMHZESC-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53616;MM53616;C#CC(CO)C(N)C=CF;RLQTXVJANNZMKS-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53617;MM53617;C=COC(=CCO)NC=N;SRLCSVYLBIFHEN-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53618;MM53618;CCC(=NN)NCCO;BFNSFVPUCBUZLB-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53619;MM53619;CC=C(CCO)N=CNN;PTQSMLLRQWYWFY-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53620;MM53620;CC(N)C#CCCO;NZSHBGVCUBMJCN-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53621;MM53621;CCN(N)C(CF)=NO;RRSZGTGSOPEDHF-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53622;MM53622;CNCC#CCCO;ZRBKTABHXJVAOK-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53623;MM53623;CN(C)C(C#N)C=CCO;IMXDMIAXLAETLV-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53624;MM53624;C=C(C)C(CN)NC(C)=O;IYSAVOFKJGTSBH-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53625;MM53625;C=NN=CC=NNC(=N)N;ICNWVIIHOHDGAW-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53626;MM53626;N=CN(N)C=CC(N)=O;PAOOINXYXHIRNX-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53627;MM53627;CCNC(=O)C(CC)CN;RMTQPCDPERVJSP-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53628;MM53628;CNCC=C(F)CC=O;DFNQULTWXIQYQW-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53629;MM53629;CNCC(CC=O)=C(C)F;WNVHDNGWPLJLBM-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53630;MM53630;CCNC(CC)C(N)=O;KISFGRQEYHJUBG-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53631;MM53631;CC=C(C)N(C=N)C(N)=O;HUTXCNMIYQFXLA-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53632;MM53632;C=CC(O)CC#CC(C)N;ZWZLUBFDRQKZST-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53633;MM53633;C=CC(O)CC#CCNC;KCQDZKSTRMXNPV-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53634;MM53634;CN(C)C(C#N)CC=O;VRSBENJDDDPNAZ-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53635;MM53635;CC=CC(C)(CN)C(N)=O;FUXDHUHCNQAFDY-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53636;MM53636;CN=C(CC=O)N=C(C)N;SZUBEXBMHKERGA-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53637;MM53637;C=CCCC(CN)C(N)=O;NLWBUDAZGUXNDM-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53638;MM53638;C=CCNC(C#N)CC=O;CJFKEAFVFHOFCK-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53639;MM53639;CNCC#CCC(C)O;YHDLZCAQKFBQRM-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53640;MM53640;CCCC(CN)C(N)=O;JIXVFPZTWXSQGZ-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53641;MM53641;CC(C)C(CN)C(N)=O;OSGMRWXDUYAHMO-UHFFFAOYSA-N;130.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53642;MM53642;CC(N)C#CC(C)CCO;ZKBSTXYROMXPSW-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53643;MM53643;C=CC(CCO)NN=C;KOQBLDVXAKWMQU-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53644;MM53644;CC(C)CC(CN)C(N)=O;ZBUPIZBVXGJHSP-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53645;MM53645;CCCCC(CN)C(N)=O;DJLGAMVPZVKUPE-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53646;MM53646;CC=NNC(CC)CCO;YYAZTYKSGSLCMO-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53647;MM53647;COC(=NO)N(C)OC;SAWWDRDSOLDYTP-UHFFFAOYSA-N;134.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53648;MM53648;CC=C(CO)C(C)C#N;MXSFJPYLLFTZKP-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53649;MM53649;CC=C(CO)C(O)C#N;GJQBADDPDJZXPJ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53650;MM53650;C=CC(O)C(=CF)CO;RLHCUCNZJDMNSN-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53651;MM53651;CCC(=NO)C(C)C=O;ANTJTBLCIVZEAW-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53652;MM53652;C=CC(C)C(CO)=NO;NHBBPZDSIQTETJ-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53653;MM53653;CC(C=O)C(CF)=NO;FMSVBJWUWIJXMB-UHFFFAOYSA-N;133.12;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16547;MM16547;C=CC(F)C(CO)=NO;DFSDTQHJRCZRAJ-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53654;MM53654;CC(=CC=NN)CCO;FBULPJLOQUAIBX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53655;MM53655;CC(C#N)C(=NO)NO;CJJPQAZVPBWBHD-UHFFFAOYSA-N;129.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53656;MM53656;C#CC(CCC=O)NC;SAXLTAJWNCAUNZ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53657;MM53657;CC=NN=C(NC)NCC;AWKGTJXBBJNVLF-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53658;MM53658;CNC(=NN=C(C)C)NC;KHBCJWSJHCFISA-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53659;MM53659;N#CC(O)C(=NO)NO;QAJVYDKCXHSRJR-UHFFFAOYSA-N;131.09;-1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53660;MM53660;C=C(C)OC(C=O)CNC;SGEHEQIGVDEGCN-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53661;MM53661;CC(N)C#CCC(C)(C)O;IUAGYNYIGNBDER-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53662;MM53662;CC=C(OC)C(O)C=O;GTSSVNVQQPYFKZ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53663;MM53663;CC=C(OC)C(O)C#N;RBODNJMYXQNHCV-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53664;MM53664;COC(=CF)C(O)C#N;HBDOWBNUOKCVBF-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53665;MM53665;COC(=NO)C(C)C=O;FVVDUWBDMGOWIB-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53666;MM53666;C=CC(O)C(=NN)OC;ZGZVCALCIARHEQ-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53667;MM53667;C=CC(O)C(=NO)OC;VAXTXRWELKHPRL-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53668;MM53668;COC(=NO)C(O)C#N;UJTODOMSKKXHKS-UHFFFAOYSA-N;130.1;-0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53669;MM53669;COC(=NO)C(F)C=O;JMILIQSPPRTGHR-UHFFFAOYSA-N;135.09;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03439;MM03439;COC(=NO)C(F)C#N;MIYBMSQPGUFHEO-UHFFFAOYSA-N;132.09;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53670;MM53670;N#CC(F)=CNC(=N)N;FOIGYXNDFAEIOF-UHFFFAOYSA-N;128.11;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53671;MM53671;CC=C(CO)N(C)C=O;YCRHJPPYRJIKPL-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53672;MM53672;CCNN=CNC;JVSXCCLLVARVKC-UHFFFAOYSA-N;101.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53673;MM53673;CNN=C(NC)N(C)OC;MHMIHNMEXUXGGH-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53674;MM53674;C=CN(C)C(CF)=NO;UGVQHRXSESJSSR-UHFFFAOYSA-N;132.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53675;MM53675;C=CN(N)C(CO)=NO;NABIBLFTGJOWEG-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53676;MM53676;C=NN=CN(C)C=NNC;UNZDRVGJFSKOQM-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53677;MM53677;CC(=O)C(=N)N(C=N)C=N;YVJORYWQNORIAL-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53678;MM53678;CCCNN=CNC;OQUYTLZHNMFXSM-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53679;MM53679;C#CCCNC=NOC=O;VMFSHBRJBFXWPI-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53680;MM53680;CCCCNN=CNC;GATCGXQWYVYWRS-UHFFFAOYSA-N;129.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53681;MM53681;CC(C=O)=NN=CN;LADXAMVPMURNOO-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53682;MM53682;CN(N)C(=O)C=NN=CN;ZXWYTBOAFVFVQY-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53683;MM53683;CC(=O)CCN(C)CC#N;JVKVHSSECANACE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53684;MM53684;C=CNC(=NN=C)C(=N)N;SKGZYZFPPAXFOJ-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53685;MM53685;C#CC(C(C)=NO)=C(C)N;PLCAQJPWTJLFJN-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53686;MM53686;CNN=CC(C)ONC=N;KEGNWTPQQWSBKV-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53687;MM53687;NC=NNCC(=O)NO;WTZRDDLOQIETOD-UHFFFAOYSA-N;132.12;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53688;MM53688;CN=C(C=NO)N(C)O;PLUQJKYUBGUFEW-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53689;MM53689;CN(N=CC=NO)C(=N)N;HPWVHWZDOHGJTN-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53690;MM53690;CN(N)C(=N)NC(=O)NN;UQYVFECCQAUXBD-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53691;MM53691;CC(=O)NC(=N)C(C)C;QCMBAVBQVZQPLX-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53692;MM53692;CNC(=N)C(=NO)NC=N;OHSVRZJXZRDQPV-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53693;MM53693;N=CNC(N)=NO;IRRNSFFHTGCWJB-UHFFFAOYSA-N;102.1;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53694;MM53694;CNC(=NN)N(O)C=O;QAUCTRHPDNCJKL-UHFFFAOYSA-N;132.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53695;MM53695;COC=CC(=NO)N(C)C;VALWGRSQIOBWNG-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53696;MM53696;NN=C(NN)N(O)C=O;OPEQUJBXHAMJEA-UHFFFAOYSA-N;133.11;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53697;MM53697;CN=C(NO)N(O)C=O;UXUDQZYUDNHVBH-UHFFFAOYSA-N;133.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53698;MM53698;C#CC(O)C(C)(C)N(C)C;UDESABQBVDDXDH-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53699;MM53699;C=CNC(=NO)C(=N)N;UXGIYBRGUVGBEB-UHFFFAOYSA-N;128.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53700;MM53700;NCC(O)C#CC=CCF;VPTVHIJGJAIJFU-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53701;MM53701;CCCC(=O)NC(C)=N;APAAHDOFYORIOV-UHFFFAOYSA-N;128.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53702;MM53702;CC(C)=C(C#CCO)CN;JMUSZLRPNSHJSA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53703;MM53703;C#CC(=CC#CCO)CN;DKFGUGAHGDQBSU-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53704;MM53704;C=NN(C)C(=NO)NO;HJCNQWGJTTYKOA-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53705;MM53705;COC(=CF)N(C)C=O;AILOTLOSLYVARI-UHFFFAOYSA-N;133.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53706;MM53706;CC(NC=N)=C(F)CO;PFZIWFBFDXWDPX-UHFFFAOYSA-N;132.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53707;MM53707;CC=C(OC)N(O)C=O;KACLCELFGASEIG-UHFFFAOYSA-N;131.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53708;MM53708;C=CC(C#N)CNC=NO;FYSZAJLQZYKDRK-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53709;MM53709;CN(C)CCC(C)(O)CF;KEHYZBGOGYGVDY-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53710;MM53710;C=CN(C)C(=NO)OC;FCKJXHYLXUHWGA-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53711;MM53711;CC=CNC(=O)C(C)CN;LHYSSZRPAKUBNY-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53712;MM53712;N=CNOC(CO)CO;JUPMTJUCIWGVGS-UHFFFAOYSA-N;134.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53713;MM53713;N=CNC(=N)CO;NOLJNEAQSAAEOE-UHFFFAOYSA-N;101.11;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53714;MM53714;C=CN(O)C(=NO)OC;HOWMAQVBKUNAAV-UHFFFAOYSA-N;132.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53715;MM53715;C=NN=C(NO)N(C)O;RYWKMVWGWFGDGP-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53716;MM53716;C=NN(C)C(=NO)OC;DETUHHSPZLMORM-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53717;MM53717;CN(CC#N)C(=N)CO;VKSUHZVAWAQPDV-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53718;MM53718;C#CC(O)C(=CC)CO;OCHRQXTXOXOSJW-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53719;MM53719;CN(C)CC(O)C=CF;PAMRQXDIEWLYEE-UHFFFAOYSA-N;133.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53720;MM53720;C#CC(C)C(CO)=NO;UGSISCSTKYSGOQ-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53721;MM53721;C=CC(O)(C=C)CNN=C;QTNOAPXCFAQDFL-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53722;MM53722;CC=CC(C#N)(CO)NC;SONFNECHDUPARV-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53723;MM53723;C#CC(C)C(=NO)NO;KKYKMPXAASEJKJ-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53724;MM53724;C=CC(O)CN(CC)N=C;FQRCDFUEIPLEAJ-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53725;MM53725;COC=CC(O)CN(C)C;HIMZOIYUCGVTPJ-UHFFFAOYSA-N;145.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53726;MM53726;C#CC(C#C)(CN)CO;KGDGUBBZVHLUIB-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53727;MM53727;C#CC(O)C(=NO)NO;YWUMHLSBLKLHDW-UHFFFAOYSA-N;130.1;-1.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53728;MM53728;CN=CN=C(NC)N(C)O;GJTNFRGFDFFONL-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53729;MM53729;C#CC(F)C(=NO)NO;XGKNPPXGYXKWMB-UHFFFAOYSA-N;132.09;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53730;MM53730;C#CC(O)C(=CF)OC;YTSJXQZFLLIRLD-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53731;MM53731;C#CC(O)C(=NN)OC;LSFDFMSMCRIVOB-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53732;MM53732;C#CC(O)C(=NO)OC;UKYUGRXTTSCQRN-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53733;MM53733;CN(O)C(=N)NC=CF;USIYNWGBBUQBQP-UHFFFAOYSA-N;133.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53734;MM53734;C#CC(F)C(=NO)OC;COPBUTMFUPKMRL-UHFFFAOYSA-N;131.11;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53735;MM53735;CN=CNC(=NC)NO;ZSJYXFNKJIZZBZ-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53736;MM53736;CC(CF)C(C=O)=CN;HAFWFUBTVQGDMW-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53737;MM53737;C=CC(=CF)C(O)CO;WJCUYSZNIZXMKB-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53738;MM53738;CC=C(C=O)C(O)CF;KJYWOCBGXDKETA-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53739;MM53739;N=C(NC=NN)OC(N)=O;QMZADYGOLFULHV-UHFFFAOYSA-N;145.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53740;MM53740;N#CC(=CF)C(O)CO;GTSILNMNBMXFEF-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53741;MM53741;CN=C(C=CCN)N(C)O;ZENLTNGWPOFAJU-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53742;MM53742;CC(CF)C(C#N)=NO;FNQFHWSHODZQHW-UHFFFAOYSA-N;130.12;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53743;MM53743;CN(C)CCC(O)CCO;WIWSDUOPTGNFLV-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53744;MM53744;CCC(O)C(C=O)=NO;UNQMTFYYOFHSIV-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53745;MM53745;C=C(CO)C(=CF)NC=N;OWKZJKKELAQGPA-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16246;MM16246;CCC(F)C(C#N)=NO;GAOJEMDXYOMOAC-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53746;MM53746;CC=NNC(CO)C(C)C;QFYOCBDFNJRGOG-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-hydroxyimino-3-methoxybutanenitrile;MM03530;COC(C)C(C#N)=NO;INIZKVJMMOXSAY-UHFFFAOYSA-N;128.13;0.38;85771724;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53747;MM53747;C=NN(C)C(C)CO;XRHMAXPBDVLALF-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53748;MM53748;CCN(O)C(C#N)=NO;YJEWCZHVABEMAJ-UHFFFAOYSA-N;129.12;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53749;MM53749;CC=NNC(CO)CCC;NEEMTDMXCNRFGC-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53750;MM53750;CN(C)CCC(CO)CO;GQVAPJNMLCKAEP-UHFFFAOYSA-N;147.22;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53751;MM53751;CON(C)C(C#N)=NO;CWXOTWRDICLIST-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53752;MM53752;CC(C#N)C(C=O)=CN;XCOOFSAHQZODQA-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53753;MM53753;CN(C)CCC(O)CCF;VPLFUBJBDJDCSE-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53754;MM53754;CC=C(C#N)C(O)C#N;JJZSZVMWWBCEPL-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53755;MM53755;N#CC(=CN)C(O)C#N;KPZUEUOJKWWDDT-UHFFFAOYSA-N;123.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53756;MM53756;N#CC(O)C(C=O)=CF;PMAUOUQXBSSEHK-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53757;MM53757;N#CC(=CF)C(O)C=O;BUUMLAWDNAIKGC-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53758;MM53758;N#CC(=CF)C(O)C#N;YCPZBXWLIYIJSD-UHFFFAOYSA-N;126.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53759;MM53759;C=CC(=NO)C(C)C#N;DRFYJDCMGTUZGU-UHFFFAOYSA-N;124.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53760;MM53760;CC(C=O)C(C=O)=NO;NEDRCCYKLWWBOX-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53761;MM53761;CC(C#N)C(C=O)=NO;BGPMUYCURPDZHV-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53762;MM53762;CC(C=O)C(C#N)=NO;LFNNKDARACNCNJ-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53763;MM53763;C=CC(=NO)C(O)C#N;DNYKWBNUAJTTSX-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53764;MM53764;N#CC(O)C(C=O)=NO;MABAVNBDMHSXPB-UHFFFAOYSA-N;128.09;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53765;MM53765;N#CC(=NO)C(O)C#N;MHOZXWMBXSKPJG-UHFFFAOYSA-N;125.09;-0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16506;MM16506;C=CC(F)C(C=O)=NO;DKUJBYRYVMVYKB-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16314;MM16314;O=CC(=NO)C(F)C=O;HMHWEHJRRQMHGO-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16126;MM16126;N#CC(=NO)C(F)C=O;CPIYYZSTICYVPK-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16170;MM16170;N#CC(F)C(C=O)=NO;CYTFVESDONWKSW-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16098;MM16098;N#CC(=NO)C(F)C#N;SRPKDYROUONMPG-UHFFFAOYSA-N;127.08;0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53766;MM53766;CC=C(C=O)N(C)C=O;ORFMMZJADGDZPH-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53767;MM53767;CC=C(C#N)N(C)C=O;RQOBITGVOMMAER-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53768;MM53768;CN(C=O)C(C=O)=CN;ZEKQJGUEVPVTCT-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53769;MM53769;CN(C=O)C(C#N)=CN;SMWRVNTYQXRDIL-UHFFFAOYSA-N;125.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53770;MM53770;CN(C=O)C(C#N)=CF;XKBUWGIDNBCFDF-UHFFFAOYSA-N;128.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53771;MM53771;C#CC(C)(N)C(C)C(C)O;BXXBVHMFUVKYCX-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53772;MM53772;C=NNC(=NCC)NC=N;NOVBLAQJKGNMKS-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53773;MM53773;C=CC(=NO)N(C)C=O;ZHTJVWGYRRYXMU-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53774;MM53774;CN=C(C#N)N(C)C=O;YLLJYAYBPPWYJN-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53775;MM53775;CC(N)C#CCCCO;WWGPVQYJWWBQPL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53776;MM53776;CNC(=O)C=NN=CN;ORMDXMQWPHYWLX-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53777;MM53777;CNCC#CCCCO;UWIIHFOBLRIQID-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53778;MM53778;C=CC(=NO)N(N)C=O;JJGONBOIMHNSTO-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53779;MM53779;C=C(CCCO)CN(C)C;TXTQNPBAADKPTE-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53780;MM53780;C=CC(=NC)N(O)C=O;FANYRURQFDAXGV-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53781;MM53781;CNCC(=CF)C(C)C=O;YREOLKJIGOQVKM-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53782;MM53782;CC(N)C#CCC(C)CO;JTNVHUOZBQVDAG-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53783;MM53783;C#CC(=O)N=C(NC)NC;IPWWFRYIESOISL-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53784;MM53784;COCC(N=CNO)=NN;ZXJVDWOIFMNDFS-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53785;MM53785;CCC(N=CN)C(=O)C=O;HGEISWZAIHZNGK-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53786;MM53786;C=CN(O)C(C=O)=NO;XLCGCUQHPQTIFJ-UHFFFAOYSA-N;130.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53787;MM53787;CC(=O)C(C)(C)N=CN;FAZFHNGCACPVSV-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53788;MM53788;C=NN(C)C(C=O)=NO;OQESYKPUYYMREM-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53789;MM53789;C=NN(C)C(C#N)=NO;AQQCXMDABDGSHN-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53790;MM53790;C#CC(O)C(C=O)=CC;WNRBPOGUXMUBPH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53791;MM53791;C#CC(O)C(C#N)=CN;URLHCRCMIXGACS-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53792;MM53792;C#CC(O)C(C=O)=CF;KAQIXZRGSIZUMX-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53793;MM53793;C#CC(O)C(C#N)=CF;YREMXKZJNRFDPH-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53794;MM53794;C#CC(C)C(C=O)=NO;BQCBATJKZKHQHN-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53795;MM53795;CNN=C(NC)C(N)=O;RNUQFSXIFCMYLH-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53796;MM53796;C#CC(O)C(C#N)=NO;IRJRMQDOFDVTRG-UHFFFAOYSA-N;124.1;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16119;MM16119;C#CC(F)C(C#N)=NO;HJGNYQOJDBGRKM-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53797;MM53797;C=NN(CC)CCO;OGHMVMFUPNWAJA-UHFFFAOYSA-N;116.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53798;MM53798;C#CC(=CC)C(O)CO;POTABLISAGBVHY-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53799;MM53799;C#CC(=CF)C(O)CF;FSKXWECQCYGBDC-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53800;MM53800;C#CC(=NO)C(C)CO;IPMJCSFOCZHLIM-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53801;MM53801;C#CC(=NO)C(O)CF;ZYPXQMBHXNPCDH-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53802;MM53802;C=CC(C=O)N(C)C=NC;AZKQVDBTEZWQEV-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53803;MM53803;C#CC(=NO)C(F)CO;SBRNSVRYIDMGPT-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53804;MM53804;CN=C(NN)NC=C(F)F;WBUGKQVIARZRFX-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53805;MM53805;CONC(=NN)NC(C)C;CYCTWARWNUPYMJ-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53806;MM53806;C=CCCN(CCO)N=C;YQGHPTNAUQARQR-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53807;MM53807;CCNC(=NN)NOCC;KNNGYIFIIJAVCV-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53808;MM53808;NC=NN=C(C=O)CCO;IEZQHVFAVLUCPA-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53809;MM53809;C#CC(=NO)N(O)CC;ZQMDIVNBTYECOH-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53810;MM53810;C#CC(=N)N(C)CC(C)=O;ALVFARMSNQPQPG-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53811;MM53811;C#CC(=NO)N(C)OC;DDVBBXNXVBVZTR-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53812;MM53812;C#CC(=CC)C(O)C=O;PKNTXBDKDIKFHE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53813;MM53813;C#CC(=CF)C(O)C#N;UJLGEESPNJKNJK-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53814;MM53814;C#CC(=NO)C(C)C=O;UUKMITJCPPFPQS-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53815;MM53815;N=C(N)NOC(=N)N;NXQGTFAFSMVQJC-UHFFFAOYSA-N;117.11;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53816;MM53816;C#CC(=NO)C(O)C#N;RVCWNSBNWUKDSK-UHFFFAOYSA-N;124.1;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16438;MM16438;C#CC(=NO)C(F)C#N;WFWCZJZHBWIDSB-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53817;MM53817;C#CC(=CF)N(C)C=O;PZYZBGOIPOIANZ-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53818;MM53818;C#CC(=CC)N(O)C=O;KQJJOEBDTOOJOK-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53819;MM53819;CNCC(C(C)=O)=C(C)C;VRIGUDWFCZLUJU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53820;MM53820;CCC(=O)C(CNC)OC;MHCPGMDMHNFRSH-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53821;MM53821;CON=CC(C#N)C(=N)N;WKCJPSJHPAJXCT-UHFFFAOYSA-N;140.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53822;MM53822;C=C(C#N)C(C)ONC=N;IVUJRPGJZDELTL-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53823;MM53823;CON=C(NN)C(=N)N;AGKORWIXMXQCJP-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53824;MM53824;CCON=C(NN)C(=N)N;YGBZSDVANIEEGC-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53825;MM53825;C#CC(=NO)N(C)C=O;WDHGHUZVWDUYJB-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53826;MM53826;C=C(CC=NO)OCCN;NZKWFHLASQXLGC-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53827;MM53827;CC(=NO)OCCN;HUCVFNWYNTUHSU-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53828;MM53828;C#CC(O)C#CC(=C)CN;YHKIGHIUUBDWBR-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53829;MM53829;C=C(C)C(O)(C#CC)CN;OLQSDICWIPFLFF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53830;MM53830;C#CC(=NO)N(N)C=O;QZXVHYIGBJFNHU-UHFFFAOYSA-N;127.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53831;MM53831;CNCC(C)(O)C#CC#N;MZEPBFBGYHBCHR-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53832;MM53832;C#CC#CC(C)(O)CN;AYLMNOFLWICLMQ-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53833;MM53833;COC(CO)OC(=N)N;PCNMBRKQHAIEOE-UHFFFAOYSA-N;134.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53834;MM53834;C#CC(=NO)N(O)C=C;JKDLGQQFDOOCEW-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53835;MM53835;CCOC(CO)OC(=N)N;MFPFLIKLSSNRGK-UHFFFAOYSA-N;148.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53836;MM53836;C#CC(=NO)N(C)N=C;LKEKNOIIJWUSLW-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53837;MM53837;C#CC(=NN)C(O)C#C;ORRJOKZMQOPFST-UHFFFAOYSA-N;122.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53838;MM53838;C#CC(=NO)C(O)C#C;FCMDYGGPNRRGPU-UHFFFAOYSA-N;123.11;-0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15478;MM15478;C#CC(=NO)C(F)C#C;SRQIHIPVKXBHGL-UHFFFAOYSA-N;125.1;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53839;MM53839;C=C(CO)C(=CF)CO;IUHQZOSJSLAKOD-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53840;MM53840;CCC(=O)C(=CN)CC;OXFYGKOBENABNJ-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53841;MM53841;CC=C(CF)C(=O)CO;PABIIJHVUYGPNK-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53842;MM53842;CCCN(C)CC(O)CO;LHLKVYBMJMBOAE-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53843;MM53843;N#CC=C(N)NC(=N)C#N;BQYNXHAFULQMEG-UHFFFAOYSA-N;135.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53844;MM53844;C=CC(CC=O)NCC#N;WJLXOQIFRCIREC-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53845;MM53845;CC(O)C(=N)N(C)CC#N;KDGCDJQTFKVRLN-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53846;MM53846;CC(=O)C(C)=NN=CN;FRZYMVSFTWTECI-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53847;MM53847;C=NOC(=NN)N(C)C;GFFWFDITQOGXFC-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53848;MM53848;CNC(=O)C(=CF)CO;NGHUZTFWQKFOMX-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53849;MM53849;NNC(=O)C(=CF)CO;YHBUXGACTOOZBS-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53850;MM53850;O=C(NO)C(=CF)CO;PEUUCODSSQKXFT-UHFFFAOYSA-N;135.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53851;MM53851;CC=C(C#CC(C)O)CN;CAJRVKAPXDSCBF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53852;MM53852;C=COC(CC)(CN)CO;RVFCSBCXRJMPPV-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53853;MM53853;CC=COC(C)(CN)CO;HYAOZSSEXYXJFE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53854;MM53854;C=C(CF)C(CO)=NO;HIGKGRDPXXBLCJ-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53855;MM53855;CN(C)CC(O)C=CCF;RFHWWGMSSTVFBF-UHFFFAOYSA-N;147.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53856;MM53856;C#CCNC(C=NN)=NN;MPQAMSLJMYIDSP-UHFFFAOYSA-N;139.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53857;MM53857;C=CC(O)CN(C)C;OVUWHOJLCSOVIU-UHFFFAOYSA-N;115.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53858;MM53858;N=C(C=O)NC=CC=O;IQTOXWFCWIUXBJ-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53859;MM53859;COC(=O)C(CO)=NN;ITJCTLAKHZMVNZ-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53860;MM53860;COC(=O)C(CO)=NO;QFMBKSUOPXPNKL-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53861;MM53861;CCC(C=O)=NN=CN;YQEWFAZWRBYNEQ-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53862;MM53862;CN(C)C(=O)C=NN=CN;HKCWZEJPIZGDMP-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53863;MM53863;C#CC=NOC(=N)NOC;USXMSCRVCSBFRG-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53864;MM53864;C#CCCN(O)C(C)=N;XUCBLUYEJSHLAR-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53865;MM53865;CCN=CN=C(NC)NO;HHIQUYPXHPENGZ-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53866;MM53866;CCC(F)=CNC(=N)NO;HZZSYASVERIEMH-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53867;MM53867;COC(=CN)C(=N)NO;CIMCSVGXPYCVLI-UHFFFAOYSA-N;131.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53868;MM53868;C#CC(=NO)NC(=N)OC;AUMVNJVACXXSFO-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53869;MM53869;C=CCCC(=O)NC(C)=N;BEYLHDATNQXGQV-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53870;MM53870;CCCNC(=NO)NC=O;VKSVOMLRSCQLMD-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53871;MM53871;C=CC(O)C(=C)CNN=C;WXOVESKLARCHLG-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53872;MM53872;C=CN=C(C)NO;MYIFBEPNLBWMLM-UHFFFAOYSA-N;100.12;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53873;MM53873;CN=C(NN)C(=O)NO;GLHJMMIGGKPTNT-UHFFFAOYSA-N;132.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53874;MM53874;CC=CCNC(C#N)CO;YKKHZWPLZOKVAD-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53875;MM53875;NN=C(NN)C(=O)NO;BGGPLCOLVFNYCI-UHFFFAOYSA-N;133.11;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53876;MM53876;C=CC(C)(CO)NN=C;ZWYXLHUHNOUEAS-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53877;MM53877;CNC(=O)C(=NO)NO;XNOUTHQJIKCNLZ-UHFFFAOYSA-N;133.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53878;MM53878;NNC(=O)C(=NO)NO;TVSZPVHEIPWUCE-UHFFFAOYSA-N;134.1;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53879;MM53879;CON=C(NN)N(N)C=O;VZZKAXIQWRDMRW-UHFFFAOYSA-N;147.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53880;MM53880;C=C(OC)C(=NO)NO;GJPCMMKIEDZUBK-UHFFFAOYSA-N;132.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53881;MM53881;CC=NNC(C)(CC)CO;UBQQNEJYXSWBBP-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53882;MM53882;CNC(=NO)C(=O)OC;JDMACALHQORZFE-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53883;MM53883;COCC(CO)NCC#N;JGJVCHLQKAWBOQ-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53884;MM53884;COC(=O)C(=NO)NN;FJCKIPYZDCKAQN-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53885;MM53885;CC=C(OC)C(=O)NC;DWCLTQBRZAIXGN-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53886;MM53886;C=NN(CC)CC(=C)CO;ZOJKCLKKKSPFHU-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53887;MM53887;CC=C(OC)C(=O)NO;MNXBURLKANFVCB-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53888;MM53888;CNC(=O)C(=CN)OC;RILTVLUUSNQFSL-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53889;MM53889;COC(=CN)C(=O)NO;QIMUKNNFAJFVBL-UHFFFAOYSA-N;132.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53890;MM53890;CNC(=O)C(=CF)OC;UNVGGJFULZVKQG-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53891;MM53891;COC(=O)C(=CN)OC;IYJSGRPRPNNTMF-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53892;MM53892;COC(=O)C(=CF)OC;TZCIDZXZVYGADI-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53893;MM53893;C=CC(=NC)NO;IAKLOMDYUHUROC-UHFFFAOYSA-N;100.12;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53894;MM53894;C=CC(=NC=CCN)NO;YNUSPWYMSDDGMB-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53895;MM53895;C=C(CO)C(=NO)OC;OBTCZLZFGQFNDH-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53896;MM53896;C#CC(=NO)ON=COC;AVDLFMHPPOEZSZ-UHFFFAOYSA-N;142.11;0.01;;;;;DOPC;MDCG;27;"0, -1";"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53897;MM53897;C=NNC(=N)C(C=O)C=O;OIYBFIVUNFEMCN-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53898;MM53898;CC=NNCC(C)CO;UFQOGOIWILHFJU-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53899;MM53899;C#CC(C#CC)C(N)CO;DFYDMEWRLAYIHO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53900;MM53900;C#CC(=CC(N)CO)OC;UYUXNJUKQMNARI-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53901;MM53901;C=C(OCCO)C(N)CC;OXYZTYMHLXKXLM-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53902;MM53902;C=C(OC)C(=NO)OC;HNGPGSDQOKHYMF-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53903;MM53903;CC=C(CO)C(=O)C#N;YMIBGVLJHXKLIF-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53904;MM53904;N#CC(=O)C(=CF)CO;NNLZVXSSVUYQSS-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16259;MM16259;N#CC(=O)C(CF)=NO;WNEMJUKAGAFZJS-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53905;MM53905;CC=NNCCC(C)O;SCFYLKNOUVRBGL-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53906;MM53906;C=CC(=C)C(=NO)NO;UDPQGJZDSKSVMV-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53907;MM53907;C=C(C#N)C(=NO)NO;IRCGWYLNCYXJGI-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53908;MM53908;CCNN=CCCC(C)O;YZLZFPAGCGNGLR-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53909;MM53909;C=CCN(CCCO)N=C;CMHZJGWPXUOGCT-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53910;MM53910;CCC(C)NN(C)C(N)=O;SAIDVMHSVAMIPU-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53911;MM53911;N#CC(=O)C(=NO)NO;MBQVXPNXWDTLPE-UHFFFAOYSA-N;129.08;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53912;MM53912;C=CC(=O)C(=CN)OC;ZVPKKEHBZDGVTE-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53913;MM53913;COC(=CN)C(=O)C#N;QXEKKFOIHRQOLM-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53914;MM53914;COC(=CF)C(=O)C#N;QQJASRGCFALHKA-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53915;MM53915;C=C(C=O)C(=NO)OC;ZPFONDLRCQRWOF-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53916;MM53916;C=C(C#N)C(=NO)OC;POLQVKUGSRVJMU-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53917;MM53917;C=CC(=O)C(=NO)OC;OBQOJNVRVHOACZ-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53918;MM53918;COC(=NO)C(=O)C#N;WFFROEJWDRDZBX-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53919;MM53919;C#CC(=O)C(=CC)CO;GXWSRDYITYKGHZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53920;MM53920;C#CC(=C)C(CO)=NO;HIRCUGWPSOOBRF-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16533;MM16533;C#CC(=O)C(CF)=NO;KZTSCGKPSBHBRC-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53921;MM53921;CC(O)CN(C)CCCO;WMRLEECWAKIZQS-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53922;MM53922;CNN=C(N)C(F)=CC=O;OASAMRCYMYOQGU-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53923;MM53923;CNCC(=CC(C)O)CF;IXPBDMPFHRPUJC-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53924;MM53924;C#CC(=C)C(=NO)NO;DHSGRJPZGMINKB-UHFFFAOYSA-N;126.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53925;MM53925;C#CC(C)(N)C(C)CO;USOCWKMLDUSGDR-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53926;MM53926;C#CC(=O)C(=NO)NO;NEEDLRVFVDOCLX-UHFFFAOYSA-N;128.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53927;MM53927;C#CC(=O)C(=CN)OC;SXWUEGDAIKMYHD-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53928;MM53928;C#CC(=C)C(=NO)OC;QAMVISACPAXAQB-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53929;MM53929;CC=NOC(=NN)N(C)C;YOXTYLJVZHVQGU-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53930;MM53930;C=C(CO)C(C=O)=CF;VZLDMXZGKYCCDP-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53931;MM53931;CNC(C=CF)C(C)CO;CLSGGZNGQPCPBO-UHFFFAOYSA-N;147.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53932;MM53932;CNCC(=CCO)CF;LNCFKUOXXATVBY-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53933;MM53933;C=C(C#CC=CCO)CN;BTDFHOULHXNLLX-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53934;MM53934;CN=C(CCO)NCC#N;WGPNTNQTRRKZKO-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53935;MM53935;CNN=CN(C)C=NOC;PWZSMKMGMNPXLB-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53936;MM53936;C=CC(N)(C=CF)CCO;MUGWNFWHMZNOIB-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53937;MM53937;CC=C(C#N)C(=O)NC;DICONFRJSNLMNZ-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53938;MM53938;CC=C(C#N)C(=O)NO;DCXOIOGYSFZAMS-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53939;MM53939;CNC(=O)C(C#N)=CN;SNRCHRPBGFJQPN-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53940;MM53940;N#CC(=CN)C(=O)NO;RRCCQEQURIIMDN-UHFFFAOYSA-N;127.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53941;MM53941;N#CC(=CF)C(=O)NO;UWPIVWWVIPAYEI-UHFFFAOYSA-N;130.08;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53942;MM53942;C=C(OC)C(C=O)=CN;LNWYKBWPBHUKLO-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53943;MM53943;COC(=O)C(C#N)=CN;VAJUIHJBPIKSHM-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53944;MM53944;COC(=O)C(C#N)=CF;ZRQIQBINTZLFRO-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53945;MM53945;C=C(CO)C(C=O)=NO;MOXXGQQHQNKHIU-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53946;MM53946;C=C(CF)C(C=O)=NO;KYJBZFGEWBKXLQ-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53947;MM53947;N#CC(=NO)C(=O)CO;KJGFJMFEFIZRIB-UHFFFAOYSA-N;128.09;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16263;MM16263;N#CC(=NO)C(=O)CF;MGGOBLCLMUHRAQ-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53948;MM53948;C=C(C#CCCO)CNC;ZIDSABJLTXWVDT-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53949;MM53949;N#CCNC(=N)CC=O;PYLRVXVFLAMKFN-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53950;MM53950;CONC(=N)N(N)C=N;ASSFIPWFNUHRMX-UHFFFAOYSA-N;131.14;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53951;MM53951;CC(=O)C(=N)NC=CC=O;MXKFOBSBLFFQRB-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53952;MM53952;N=CNC(=N)NOC(=N)N;LXKAZEHTOYXOQL-UHFFFAOYSA-N;144.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53953;MM53953;CNC(=N)C(C#N)=CN;BSLDLOTVVKTPHZ-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53954;MM53954;N#CC(=NO)C(=N)NO;USSJTOBUSKIOLC-UHFFFAOYSA-N;128.09;-0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53955;MM53955;CC(=N)NN=C(C)N(C)C;STOKMYAQVBXTGB-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53956;MM53956;CNC(=O)C(C=O)=NO;NQEZUBSKWWDQDT-UHFFFAOYSA-N;130.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53957;MM53957;CNC(=O)C(C#N)=NO;LNSWHHYDHVLALZ-UHFFFAOYSA-N;127.1;-0.91;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53958;MM53958;N#CC(=NO)C(=O)NO;FFCIUZBSCGKNEQ-UHFFFAOYSA-N;129.08;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53959;MM53959;C=C(OC)C(C=O)=NO;RXWXWKMMLUYQOU-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53960;MM53960;C=C(OC)C(C#N)=NO;REDAVDILHXLUCH-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53961;MM53961;C=CC(C)NN=CN(C)C;OYBJEDYLKPXFBY-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53962;MM53962;C=CC(=NO)C(=O)OC;PEGCFJFRLAHZHX-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53963;MM53963;COC(=O)C(C#N)=NO;ZTUBRMAHOKWHCL-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53964;MM53964;C=C(C#N)C(C=O)=CN;WPWNQVPMLDJEEH-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53965;MM53965;C=CC(=CN)C(=O)C#N;SKTIGMHPHOBYPZ-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53966;MM53966;C=CC(=O)C(C#N)=CN;BDOAUKAJWINBEQ-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53967;MM53967;N#CC(=CN)C(=O)C=O;WGHQHEICLYYUMN-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53968;MM53968;N#CC(=O)C(C=O)=CN;LNPAVCGKODBKCC-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53969;MM53969;N#CC(=O)C(C#N)=CN;OCCUHSZSHYREHY-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53970;MM53970;N#CC(=O)C(C#N)=CF;JODWZUZECBVYBR-UHFFFAOYSA-N;124.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53971;MM53971;C=C(C=O)C(C#N)=NO;NKBUABLLBNNXPN-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16563;MM16563;C=C(C#N)C(C#N)=NO;MDUKSHOZMABXMS-UHFFFAOYSA-N;121.1;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53972;MM53972;C=CC(=O)C(C#N)=NO;VTHOHTMSVNKXKD-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53973;MM53973;O=CC(=O)C(C=O)=NO;HRVLLPMVNBLXLF-UHFFFAOYSA-N;129.07;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53974;MM53974;N#CC(=O)C(C=O)=NO;JSTMSUFRTBUYPC-UHFFFAOYSA-N;126.07;-0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-cyano-2-hydroxyiminoacetyl Cyanide";MM03169;N#CC(=O)C(C#N)=NO;MLNAXPGBDYRHLG-UHFFFAOYSA-N;123.07;-0.57;141765772;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53975;MM53975;C#CC(=O)C(C=O)=CN;TXDBOSDYVBYKCO-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53976;MM53976;C#CC(=O)C(C#N)=CN;PSWZHVYJWCDZHI-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53977;MM53977;C#CC(=O)C(C#N)=CF;PACAWHRRTKSWQE-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53978;MM53978;C#CC(=C)C(C#N)=NO;VLULOQVSTURCEO-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53979;MM53979;C#CC(=O)C(C=C)=NO;BLJMPRADJZHUKW-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16381;MM16381;C#CC(=O)C(C#N)=NO;MQNGZSJTEMNTQB-UHFFFAOYSA-N;122.08;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53980;MM53980;C#CC(=CC)C(=O)CO;RJIYUEVFFNIFTL-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53981;MM53981;C#CCN(OC)C(C)=NN;ARIVAEIVIJVLLO-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53982;MM53982;CC=NN=C(NN)C(=N)N;OQQHRIZGWUWUSG-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53983;MM53983;CNC=NNC;TVKBMFKZQTVWDS-UHFFFAOYSA-N;87.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53984;MM53984;N#CCC(C#N)NC=N;RCWFCRLOGGQQQG-UHFFFAOYSA-N;122.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53985;MM53985;C#CC(=CC)C(=O)NO;MUXGSCRFBADHEZ-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53986;MM53986;C#CC(=CN)C(=O)NC;RLSSCDYTJBUXOK-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53987;MM53987;C#CC(=CF)C(=O)NN;AXKDXPQJVFERIK-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53988;MM53988;C#CC(=CF)C(=O)NO;OUOJFUQKSFZITN-UHFFFAOYSA-N;129.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53989;MM53989;C#CC(=CN)C(=O)OC;GHOUOIVDHASSCS-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53990;MM53990;C#CC(=NO)C(=C)CO;WHAKYNFLKXLYIL-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53991;MM53991;C#CC(=NO)C(=O)CF;HKGJWOQYLLACGS-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53992;MM53992;CCC(N)CON=CCF;ZSVWVURXLXKAJD-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53993;MM53993;CNC=NN=C(C)OC;DXHMJSXSUPCANV-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53994;MM53994;C=NNC=NC(C)CF;KQNKLWJETOQOPG-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53995;MM53995;C#CC(=NN)C(=O)NN;RBOYOELKFNLZQU-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53996;MM53996;C#CC(=NN)C(=O)NO;OQUYRDMRTPOJQS-UHFFFAOYSA-N;127.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53997;MM53997;C#CC(=NO)C(=O)NC;NCUSXXVJTDEPIZ-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53998;MM53998;C#CC(=NO)C(=O)NN;PPSWOXFTGJRGKW-UHFFFAOYSA-N;127.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM53999;MM53999;C#CC(=NO)C(=O)NO;GWUPPRVUUWMIIH-UHFFFAOYSA-N;128.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54000;MM54000;C#CC(=NO)C(=C)OC;XKDHZUKBAVSYIU-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54001;MM54001;ON=CC=CCNC=NO;NPRWDDAUQFKICE-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54002;MM54002;C#CC(=NO)C(=O)OC;STNBZNSPTXTXGY-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54003;MM54003;C#CC(=CN)C(=O)C#N;GQBRUOXZBAHGDX-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54004;MM54004;C#CC(=CF)C(=O)C=O;TZGNZOGFRJVUGP-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54005;MM54005;C#CC(=NO)C(=C)C=O;VXDRRMDKTOFTMJ-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54006;MM54006;C#CC(=NO)C(=O)C=C;FOKKNTKLAZZJSG-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54007;MM54007;C#CC(=NO)C(=O)C#N;KXXXFLUABJGLNF-UHFFFAOYSA-N;122.08;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54008;MM54008;C#CC(=O)C(C#C)=CN;PJKTXPXFXJLMLS-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54009;MM54009;C#CC(=C)C(C#C)=NO;YYPMNFHXDQRNKY-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54010;MM54010;CC(ONC=N)C(F)C#N;IUTJOPKZEZDFMJ-UHFFFAOYSA-N;145.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54011;MM54011;C#CC(NN=C)C(C)(C)N;JWTBDPRFWJIXER-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54012;MM54012;CCNCC(C=O)C=O;VXHUSCGQNCZPAA-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54013;MM54013;C=C(C#CC=NO)C(C)N;KFLRZLZUEOYJEI-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54014;MM54014;CC(=CN)C(CO)=NO;WPEYRJYHBUYTHZ-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54015;MM54015;CC(=CF)C(CO)=NO;DKTBCSCQDUVGMP-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54016;MM54016;NC=C(F)C(CO)=NO;LOFFVQTVQIHJFI-UHFFFAOYSA-N;134.11;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54017;MM54017;CC(=NO)C(CF)=NN;AKMLVRHNFYLOIX-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54018;MM54018;CC(=NN)C(CF)=NO;XSRZOMOZFLARSQ-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54019;MM54019;CC(=NO)C(CF)=NO;LLYMCGRUQOQPLE-UHFFFAOYSA-N;134.11;0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54020;MM54020;C=CCNC=NO;KUTNQDMRPHPIHZ-UHFFFAOYSA-N;100.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54021;MM54021;CNC(=NO)NCC#N;SZEKBAWQEUMTME-UHFFFAOYSA-N;128.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54022;MM54022;C=CC(C#N)(CO)NC;LXBIRZKKPBNEBV-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54023;MM54023;NN=CN(O)C=NCCO;HHRPQJDJWFDBAF-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54024;MM54024;CC=NNC(=O)NCCN;VNZSWJIBIBIVMF-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54025;MM54025;CC(=NOC(C)C=O)NO;WBSKPOVTXUSBCN-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54026;MM54026;CNCC(C)C(O)C#N;OZOVIYUODQXNHU-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54027;MM54027;CC=NNCC(C)(C)O;CJTULAACQMUBRG-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54028;MM54028;CCNCCNN=CC#N;UNJCSIBBJASUOB-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54029;MM54029;C=CC(O)(C#CCC)CN;GLCIZQVVIDERED-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54030;MM54030;CC(=NO)C(=NO)NO;LHVIRCWERHPWRZ-UHFFFAOYSA-N;133.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54031;MM54031;COC(=CN)C(C)=NO;DZQAQMLFUZFMSB-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01919;MM01919;COC(=CF)C(C)=NO;CWEFGMIBRHASRV-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54032;MM54032;C#CC(O)C(C)(N)C=CC;MKEGDXBYEOJHCN-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54033;MM54033;C=NN(C)C(CO)C(=C)C;XMKGJHVJAFTHRS-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54034;MM54034;COC(=NN)C(C)=NO;ZQKOHXCWYZWGRC-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54035;MM54035;COC(=NO)C(C)=NN;JMBJBIZDUSINIU-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54036;MM54036;CC(=CF)C(C=O)=CN;BOEBZLUEZDHCEV-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54037;MM54037;CC(=NO)C(C=O)=CN;LEIRPPYVYOBMGZ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54038;MM54038;CC(=CN)C(C=O)=NO;FDOFJPLHVODAFW-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54039;MM54039;C=CC(=NO)C(F)=CN;JZGFZFJOZSLWNC-UHFFFAOYSA-N;130.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16478;MM16478;N#CC(=NO)C(F)=CN;VQBBUAFPDIKSGI-UHFFFAOYSA-N;129.09;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54040;MM54040;C=CC(=NN)C(C)=NO;UKXLYQXBEYPSNE-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54041;MM54041;C=CC(=NO)C(C)=NO;IYXUPGNZTBLFPH-UHFFFAOYSA-N;128.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54042;MM54042;CC(=NO)C(C#N)=NO;JMVZBLGWZPYNIA-UHFFFAOYSA-N;127.1;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54043;MM54043;CC#CC(O)C(=CF)CN;YTPXHVRTAOXNKB-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54044;MM54044;C#CC(=NN)C(C)=NO;XIUBIBBJIQGBSX-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54045;MM54045;C#CC(=NO)C(C)=NN;SEGPGMQQELAFRG-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54046;MM54046;C#CC(=NO)C(C)=NO;CWXSRJAYBFJPOF-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54047;MM54047;CCC(C)=C(CO)CO;SXAJXWITLSZZKF-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54048;MM54048;CCC(=CC=NN)CO;NFOYXFAKVWQEPF-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54049;MM54049;CCC(CO)=C(F)CO;NUMCYSFPKXBRPR-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54050;MM54050;CCC(F)=C(CO)CO;QDVNZMYQFCXVGH-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54051;MM54051;COC(C)=C(CO)CO;JZBCTFGVNRLEDE-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54052;MM54052;COC(CO)=C(C)CO;VJHWSVISYIKGTB-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54053;MM54053;COC(CO)=C(C)CF;QXYPOAWIZDOHSW-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01704;MM01704;CCC(OC)=C(F)CO;BFNQPKWJVXOPDG-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54054;MM54054;C=NN(CCO)CC(=C)C;VVBXCOQAQZAUJU-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54055;MM54055;COC(CO)=C(F)CO;URHIAAHOFLHGAY-UHFFFAOYSA-N;136.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54056;MM54056;COC(C)=C(CO)OC;VDIIQYNJDGZBFK-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54057;MM54057;CC(C#N)=C(CO)CF;QRRAZKMMUSKDRR-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54058;MM54058;C=CC(F)=C(CO)CO;JUSVGXFWFGJREW-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54059;MM54059;N#CC(F)=C(CO)CO;NLTPCHORRHUZQJ-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54060;MM54060;CCC(NC)=C(C)C=O;QSRGPJNKTUMNPU-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54061;MM54061;CNC(CO)=C(F)C#N;BIXNILSXIBTQLC-UHFFFAOYSA-N;130.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54062;MM54062;COC(CO)=C(C)C=O;INCKGQZGRPSYBH-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54063;MM54063;COC(CO)=C(F)C#N;FQVDBBFVDZBOEG-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54064;MM54064;CNC(NC)=C(F)C=O;IRBXZEMWXNWFDZ-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54065;MM54065;CNC(OC)=C(C)C=O;NWYZWXILIVBDJG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54066;MM54066;CNC(OC)=C(F)C=O;LTNKQDLPPUCOGF-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54067;MM54067;C#CC(F)=C(CO)CO;RHFIJQYQIIYHAO-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54068;MM54068;C#CC(C)=C(CO)OC;OHELQXKKWPLCIP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54069;MM54069;C#CC(F)=C(CO)OC;BOFZKXJBHHYRDE-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54070;MM54070;CCC(C(O)CO)N(C)C;WBBMFILAELEBDY-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54071;MM54071;CCC(C=O)=C(N)CF;VSXNLLQNEIQIQJ-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54072;MM54072;C=CC(CO)=C(F)CO;IJJMPTOKNYUREC-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54073;MM54073;N#CC(CO)=C(F)CO;ARDXMQJKDOQVGY-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54074;MM54074;CCC(C=O)=C(C)NC;DNKGVUIKTNUKBO-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54075;MM54075;COC(C)=C(C#N)CO;WRNWOYKXNDILEB-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54076;MM54076;CCC(C=O)=C(N)OC;VVSKHTQVKQOQLY-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54077;MM54077;COC(C#N)=C(C)CO;BMKNXEPWRUHNBE-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54078;MM54078;COC(C#N)=C(F)CO;TWLUQDWUMFTFBY-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54079;MM54079;CNC(N)=C(C=O)OC;AKMOSYRFBUXPTG-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54080;MM54080;C=CC(OC)=C(C)OC;FHXOQFWYWCUNJW-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54081;MM54081;COC(C)=C(C#N)OC;XPXLDOCRNGIAOE-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54082;MM54082;COC(N)=C(C=O)OC;WIOFSMNRJMGMBB-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54083;MM54083;CCC(C=O)=C(C)C#N;NWZSSXYYNCONQS-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54084;MM54084;C=CC(CO)=C(C)C=O;JZDNJJRFQIPGCY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54085;MM54085;C=CC(C)=C(C=O)CO;LOMMADPZDZJTEQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54086;MM54086;C=CC(C)=C(C#N)CO;DBTUYHFXUFWBBV-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54087;MM54087;CC(C=O)=C(C#N)CO;VNZURVAMIHPCRN-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54088;MM54088;CCC(C=O)=C(N)C=O;IFUGBZOIRSOFDQ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54089;MM54089;CN=C(C=O)NCCO;NRXZWYLBWDYFFX-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54090;MM54090;NC(C=O)=C(C=O)CO;DLMIDDTUXLZQAK-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54091;MM54091;N#CC(N)=C(C#N)CO;JDBKCGYSWFQXQI-UHFFFAOYSA-N;123.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54092;MM54092;CC=NOC(=O)NCCN;ZZTSDTUZNCDEHV-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54093;MM54093;C=CC(F)=C(C=O)CO;WHWKSAPBSWCFIL-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54094;MM54094;N#CC(F)=C(C=O)CO;AMSAZVDXZFDLAW-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54095;MM54095;N#CC(F)=C(C#N)CO;CPUXLTALRHLKER-UHFFFAOYSA-N;126.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54096;MM54096;CNC(C=O)=C(C)C=O;ACDKRVMRHRGTAG-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54097;MM54097;CNC(C#N)=C(C)C=O;UWGDUPFDPQRYBV-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54098;MM54098;CNC(C#N)=C(C)C#N;NQLGRVRJODTERF-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54099;MM54099;CC(O)CCC=NN;UUNYZHOKKDAUDS-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54100;MM54100;CCNN(CC)C(=O)NC;KHQJYZKZCPJXCV-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54101;MM54101;CNC(C=O)=C(F)C=O;YCWYSXURDNCDDR-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54102;MM54102;CNC(C#N)=C(F)C=O;LNFRNGPEMKZVKV-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54103;MM54103;CNC(C=O)=C(F)C#N;GZWTYFGXPODPDV-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54104;MM54104;CNC(C#N)=C(F)C#N;PZXVMYLCBGSDJU-UHFFFAOYSA-N;125.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54105;MM54105;COC(C=O)=C(C)C=O;IPMUTBYVGUQDJO-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54106;MM54106;COC(C#N)=C(C)C=O;IOJOBQCPGFGZEZ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54107;MM54107;COC(C=O)=C(C)C#N;XCVLDSZWCBBIGD-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54108;MM54108;C=CC(N)=C(C=O)OC;RFDBGGFOIDDAFT-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54109;MM54109;COC(C=O)=C(N)C=O;SCFSJGSDRZFMJN-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54110;MM54110;COC(C#N)=C(N)C=O;JUHBEVQEXASZLF-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54111;MM54111;COC(C=O)=C(N)C#N;BOPYWSCXPWWCKJ-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54112;MM54112;COC(C#N)=C(N)C#N;BVNWZPHHCZSZAK-UHFFFAOYSA-N;123.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54113;MM54113;COC(C=O)=C(F)C=O;UOFXPFVBHSTXAF-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54114;MM54114;COC(C#N)=C(F)C=O;LIMWCJQNLASYTE-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54115;MM54115;C#CC(C)=C(C=O)CC;VMTMVSKHFXCJSF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54116;MM54116;C#CC(C)=C(C#N)CO;AQNQUTFYCLYFDD-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54117;MM54117;C#CC(F)=C(C=O)CO;WMMMYWFQNPNHGG-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54118;MM54118;C#CC(F)=C(C#N)CO;PWTKVJPHAPLMTA-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54119;MM54119;C#CC(C)=C(C=O)OC;OMVWQOGJWPNZSZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54120;MM54120;C#CC(C)=C(C#N)OC;GYNLIQPCIQWWJG-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54121;MM54121;C#CC(N)=C(C=O)OC;VISXUXGHZZCHNA-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54122;MM54122;C#CC(F)=C(C#N)OC;IREFIINMHGRXGC-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54123;MM54123;C#CC(CO)=C(C)OC;OCOUTXVEVCRHJK-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54124;MM54124;C#CC(OC)=C(F)CO;ZMJNYZQRFVZPBK-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54125;MM54125;C#CC(CO)=C(C)C#N;JJAVYOWMPKTCCD-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54126;MM54126;C#CC(CO)=C(F)C=O;YDKAQHHXLJFJST-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54127;MM54127;C#CC(NC)=C(F)C=O;OFMVSBDSKOOJNW-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54128;MM54128;C#CC(OC)=C(F)C#N;ZJCKPLXVRZNHAA-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54129;MM54129;CC(CO)=C(C=O)C=O;LWCHQBFXKYXSNG-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54130;MM54130;CC(CO)=C(C#N)C#N;BGZZAINAVKYNOJ-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54131;MM54131;CCC(N)=C(C#N)C=O;NTOOZPLELQLAPA-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54132;MM54132;N#CC(C#N)=C(N)CO;MBGMMSSJADXUCW-UHFFFAOYSA-N;123.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54133;MM54133;C=CC(C=O)=C(F)CO;JPJHLOKYJIPBLE-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54134;MM54134;N#CC(C#N)=C(F)CO;RLDSMNKUQBLHHY-UHFFFAOYSA-N;126.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54135;MM54135;CNC(C)=C(C=O)C=O;JPNNSQNNBJJZCF-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54136;MM54136;CNC(C)=C(C#N)C#N;UHOJVPCQFAGBLJ-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54137;MM54137;COC(C)=C(C#N)C=O;ZUDADGGLTIZKMU-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54138;MM54138;COC(C)=C(C#N)C#N;LBTQCPWBQJYQLI-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54139;MM54139;C=CC(C=O)=C(N)OC;VNTDMANHONECMG-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54140;MM54140;COC(N)=C(C=O)C=O;NNGBGYBJLUFCBV-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54141;MM54141;CC(C#N)=C(C=O)C=O;KBJCYADAWAFXKS-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54142;MM54142;CC(C=O)=C(C#N)C=O;IJZCDZZMEOXJDQ-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54143;MM54143;CC(C#N)=C(C#N)C=O;QLNQNSPSGODUJM-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54144;MM54144;CC(C=O)=C(C#N)C#N;OWEGZZSTUUTZHC-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54145;MM54145;CC(C#N)=C(C#N)C#N;SBDLXCHYIVJGEO-UHFFFAOYSA-N;117.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54146;MM54146;C=CC(C=O)=C(N)C#N;HXHAPKAWWATGGP-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54147;MM54147;C=CC(N)=C(C#N)C=O;UTIZUWOQIYLPLY-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54148;MM54148;NC(C=O)=C(C=O)C=O;XNOLDOZOCGLGME-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54149;MM54149;N#CC(N)=C(C#N)C=O;SETPRNTYGUBGAW-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54150;MM54150;N#CC(C#N)=C(N)C=O;ARAXWMWKELOPMU-UHFFFAOYSA-N;121.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54151;MM54151;N#CC(N)=C(C#N)C#N;JXZDPLULLOXBCW-UHFFFAOYSA-N;118.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54152;MM54152;O=CC(F)=C(C=O)C=O;FCDYVHXPVCASNY-UHFFFAOYSA-N;130.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54153;MM54153;N#CC(F)=C(C=O)C=O;DARFOUQDIOQKGL-UHFFFAOYSA-N;127.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54154;MM54154;N#CC(C=O)=C(F)C=O;MWCGPXSOELDQJP-UHFFFAOYSA-N;127.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54155;MM54155;N#CC(F)=C(C#N)C=O;KDFRBYGARBLLRG-UHFFFAOYSA-N;124.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54156;MM54156;N#CC(C#N)=C(F)C=O;JREWQZCSSRVTAE-UHFFFAOYSA-N;124.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54157;MM54157;N#CC(F)=C(C#N)C#N;DAQYMTLBNBKGDM-UHFFFAOYSA-N;121.07;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54158;MM54158;C#CC(C)=C(C=O)C=O;QKLCPQQNISNDLV-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54159;MM54159;C#CC(C)=C(C#N)C#N;VFQPRGPLNWKDJH-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54160;MM54160;C#CC(C#N)=C(C)CO;CKTJNDRVPPEVNH-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54161;MM54161;C#CC(C=O)=C(F)CO;UZUINTKKJWABRW-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54162;MM54162;C#CC(C#N)=C(F)CO;NJFLMMCNETVUAF-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54163;MM54163;C#CC(C=O)=C(N)OC;MZWDNELMMZGLGQ-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54164;MM54164;C#CC(C#N)=C(C)C#N;WQFIKOBMCYMVQC-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54165;MM54165;C#CC(C=O)=C(N)C=O;VEGFANMHAJRKGF-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54166;MM54166;C=C(C(N)=O)C(N)=NOC;WHTKMFAPWZOFEA-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54167;MM54167;C#CC(C#N)=C(N)C#N;YCPARMVSPOVDNC-UHFFFAOYSA-N;117.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54168;MM54168;C#CC(C=O)=C(F)C=O;JXPYWOFLCKZDNR-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54169;MM54169;C#CC(C)=C(C#C)C#N;OEDFPVKXHUVGGO-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54170;MM54170;C#CC(N)=C(C#C)C=O;OIAKIMLCHCVKNF-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54171;MM54171;C#CC(C#C)=C(F)CO;HSEZBURQUPGXOF-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54172;MM54172;C#CC(C#C)=C(C)C#N;XPSDZADZIKQHQC-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54173;MM54173;C#CC(C#C)=C(F)C=O;JFSIUEBLYFUGKC-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54174;MM54174;CN(CC#N)CCC=O;AJYQXAVFSXDFDN-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54175;MM54175;C=C(CC=O)NC(=N)C#N;YENHGBRCFAUXBQ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54176;MM54176;OCC(CO)CCCF;ALIOEWSAEJJWBA-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54177;MM54177;C#CC(C#N)NCC;GMZLSYHQFBPLMK-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54178;MM54178;OCCCC(CO)CF;WMESKJHVFZUHBN-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54179;MM54179;NN=CN(N)C=NC=O;DEIJFIGZOINPCQ-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54180;MM54180;COCCC(CO)CO;WFYJMGLPMZYNLP-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54181;MM54181;CC(F)(C#N)CNCC=O;YMXYPDUHISSDAH-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54182;MM54182;C=CC(O)C#CC(=C)CN;QOPFSZMAASTSQK-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54183;MM54183;COC(CO)CCCO;WJQIZCVANALNLX-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54184;MM54184;COC(CF)CCCO;RPAJECVZLFVSFU-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54185;MM54185;COC(CCCO)OC;DDPMQWOBGOWNKA-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54186;MM54186;COC(CCCF)OC;UHCZITUIQHQFFZ-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54187;MM54187;CCC(O)C(C)(CN)OC;QNCPLFXYBZWBMJ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54188;MM54188;CCN(CC)CC(O)CO;LTACQVCHVAUOKN-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54189;MM54189;CCOCC(CO)CO;FXMQGGAYELBPLD-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54190;MM54190;CCOCC(OC)OC;MLRHIIWKFRKPJB-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54191;MM54191;C=C(CC#N)N(O)C(C)=N;KALNZWQWLLZNAW-UHFFFAOYSA-N;139.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54192;MM54192;CCOC(C)(CN)C(C)O;XUEGPEMHGXPEOE-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54193;MM54193;CCC(CO)OCOC;BRDZNQZPSPJBDE-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54194;MM54194;COCOC(CO)CO;NIRWXHUJRPRWJS-UHFFFAOYSA-N;136.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54195;MM54195;CCC(OC)OCCO;HXFJSYHLJUKSBL-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54196;MM54196;CCCOC(CO)OC;JRTKUEVXICCYGM-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54197;MM54197;COC(CO)OCCO;PADZQGJLBROXLI-UHFFFAOYSA-N;136.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54198;MM54198;COC(CF)OCCF;WWDHZBZRJDNNCM-UHFFFAOYSA-N;140.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54199;MM54199;CCC(OC)OCOC;RPZAUVBDMRPXBE-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54200;MM54200;O=CCCC(CO)CF;HICYAXWXGUYXMD-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54201;MM54201;COC(CO)CCC#N;VUJSPQDXMNENOS-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54202;MM54202;CCC(CO)CNC=O;BMRKHDVIXPJXPY-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54203;MM54203;C=CC#CC(=O)NCCN;DLYPLXIOLPPHBV-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54204;MM54204;C=COCC(CO)CO;UGQCUUYZNRPJCX-UHFFFAOYSA-N;132.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54205;MM54205;C=COCC(CO)OC;XBHOBBLGMJVTSF-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54206;MM54206;COC(CF)COC=O;WTOLGCJEUINZBC-UHFFFAOYSA-N;136.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54207;MM54207;C=C(CO)C(=C)C(=N)NO;CTMLRCMLEKORFR-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54208;MM54208;C=COCC(OC)OC;VVOWOTBYLLAVLE-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54209;MM54209;COC(COC=O)OC;SSNOPRCVNBFORV-UHFFFAOYSA-N;134.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54210;MM54210;C#CCOC(=O)NCCN;SARMLJRZXCIRHX-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54211;MM54211;CN=C(NO)NCCC#N;XAHJIMKOHQNHQK-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54212;MM54212;CCNCCNN=CCO;HVRFGHFKIGWPQX-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54213;MM54213;C=C(C#CC(C)(C)O)CN;UHIDOASZSKZOLU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54214;MM54214;COC(=O)C=NN=CN;SDQWEGSJWSHMCT-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54215;MM54215;CCC(CO)OCC=O;PNNSKMCLGUEECK-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54216;MM54216;CCC(CO)OCC#N;XVBNEVKRVHSMLN-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54217;MM54217;C=CCOC(CO)CO;IGDCJKDZZUALAO-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54218;MM54218;N#CCOC(CO)CF;YCWCKCVLHQSTEC-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54219;MM54219;CCC(OC)OCC=O;NLUGUGYUZVKMEF-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54220;MM54220;CCC(OC)OCC#N;MMHFFBYTHKDMJR-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54221;MM54221;COC(CO)OCC#N;CZWUZDHJALSRJV-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54222;MM54222;COC(CF)OCC=O;OKFOOVWTXWADSM-UHFFFAOYSA-N;136.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54223;MM54223;COC(CF)OCC#N;LKIJZEFVCJUCKI-UHFFFAOYSA-N;133.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54224;MM54224;C#CC(C#C)C(N)CO;UBTAODVHIAGVNU-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54225;MM54225;C#CCCC(CO)CO;GUBNTEWIRKZYRM-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54226;MM54226;C=CC(=C(C)F)C(N)CO;SHYIPRKXTHELAD-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54227;MM54227;C#CCOC(CO)CF;QAYHFAZLLBDVHX-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54228;MM54228;C#CCOC(CO)OC;BCDBSVXZNOPQNM-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54229;MM54229;C#CCOC(CF)OC;ZGAPLIFZDIXAQD-UHFFFAOYSA-N;132.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54230;MM54230;C=C(C)C(F)=CC(N)CO;TUCZBSRWKOINBW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54231;MM54231;CNCC(CO)NCC#N;YJWQZHDWFAYUGA-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54232;MM54232;N#CC(CO)CCCF;QLUZZLHVZVOGNT-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54233;MM54233;CCOC(=O)C=NN=CN;RBFBUZZXWSHEGE-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54234;MM54234;O=CC(CF)CCCF;QWFOQUSTNRRRQN-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54235;MM54235;CCN(CCO)CCCO;YDPXAGWIHCMGQG-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54236;MM54236;C=COC(CN)CC(C)O;KHJWQZNLSKZZRZ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54237;MM54237;CCCOCCNCCO;PKXQAFWSXIUGQD-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54238;MM54238;CC#CCC(=O)NCCN;BAHIPKCIMYIJTG-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54239;MM54239;COC(C#N)CCCO;UVHBUIUTWRLXDV-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54240;MM54240;COC(C=O)CCCF;QBGNPKDCVZOMFG-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54241;MM54241;COCCC(C#N)OC;VCQQBCBKWLHWIQ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54242;MM54242;CC(C)(N)C(C)(F)CCO;ITNLWQXKHIBZIP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54243;MM54243;CC=COC(CN)CCO;OUSQZXFFGXCZFR-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54244;MM54244;CCOCC(C=O)OC;PVISBMSRVDEHRT-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54245;MM54245;CCOCC(C#N)OC;KUDCEFJFGRIQON-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54246;MM54246;CCC(CCO)N=CNN;JAJBDQBKAAJXJI-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54247;MM54247;CCNCC(=CF)CCO;PQLHVDQBVKDOAU-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54248;MM54248;CCCOC(C#N)CO;YAWNHAOTLXPUDP-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54249;MM54249;C=CC(CF)OCCO;RLZZKJKRRABFGV-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54250;MM54250;N#CC(CF)OCCO;PIJIEHHSIKJFSB-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54251;MM54251;CCC(C#N)OCOC;DDXVDJQRKZOSDW-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54252;MM54252;COC(C#N)OCCF;TWGCTFNJVCGTDN-UHFFFAOYSA-N;133.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54253;MM54253;C=CC(OC)OCOC;NDCJOFXGDDFSOA-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54254;MM54254;COCOC(C=O)OC;NJJOOUPKOLSZDC-UHFFFAOYSA-N;134.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54255;MM54255;COCOC(C#N)OC;NZJBTLZKKUKVQG-UHFFFAOYSA-N;131.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54256;MM54256;CN(C)CCCO;PYSGFFTXMUWEOT-UHFFFAOYSA-N;103.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54257;MM54257;C=NNC(=NC)NC=N;CNODFDTVPCWDMD-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54258;MM54258;CON(C=O)CCCF;WTTRVYLIUSQCKT-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54259;MM54259;COCCN(C=O)OC;UPNADWQFBLOSBM-UHFFFAOYSA-N;133.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54260;MM54260;CCN(C=O)OCOC;GLPLTRVOSAERAP-UHFFFAOYSA-N;133.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54261;MM54261;CC#CCC(CN)NC=O;OEVUNQLZLIBKJF-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54262;MM54262;C=NOC(=N)NCC#N;JMIQHTHCUZYNET-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54263;MM54263;C=CCCC(C=O)CO;QWDOHZHWEHEDKP-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54264;MM54264;O=CCCC(C=O)CO;BTQXYRXSENSEHT-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54265;MM54265;N#CCCC(C#N)CO;XGHHFSXYAQFWKV-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54266;MM54266;N#CCCC(C#N)CF;GRAQSBCFMDFQKI-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54267;MM54267;C=CC(=N)N(CC=O)NC;VEMHEJVMKVWPJT-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54268;MM54268;CC=NNC(=NC)NC=N;ODKSFTSEZRUZAL-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54269;MM54269;COC(C=O)CCC#N;PYESKNGFLHJBLO-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54270;MM54270;COC(C#N)CCC#N;OWPOSEUJTSUPSG-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54271;MM54271;CCC(C#N)CNC=O;IURYUHDZPKFTOZ-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54272;MM54272;N#CC(CO)CNC=O;BMCIWEOSVYDZJG-UHFFFAOYSA-N;128.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54273;MM54273;CC(=NO)C(=CN)CC#N;CWKSRYFWWFLGLB-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54274;MM54274;CC=C(C)C(=O)NCCN;UKYRAAKORQLNFQ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54275;MM54275;CC(=O)NC(C)=NN=CN;DCJFJSDOHMVVHQ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54276;MM54276;CN=CNC(=O)N(C)C;GUBXTWHMJBHPNF-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54277;MM54277;CC(C)(C)C(=O)NCCN;JCJIKGDYVOCAMX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54278;MM54278;COC(C#N)CNC=O;RZTJHVFTSCVUHN-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54279;MM54279;CCC(C)C(=O)NCCN;HBZHCHNBUNAMRZ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54280;MM54280;C=COCC(C#N)CO;XPSDAUPTTMTHSG-UHFFFAOYSA-N;127.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54281;MM54281;N#CC(CF)COC=O;DCEMQHSTRSTTRV-UHFFFAOYSA-N;131.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54282;MM54282;CCCCC(=O)NCCN;MXFSWBYUBWMITI-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54283;MM54283;C=COCC(C=O)OC;UCRXRAKXDQCDPP-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54284;MM54284;C=COCC(C#N)OC;XEZSGWADNSZRDW-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54285;MM54285;COC(C=O)COC=O;FJRQUCQMJVVINQ-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54286;MM54286;COC(C#N)COC=O;WHKOSZQDTSSFHG-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54287;MM54287;NCCNC=O;VAFIWTIWOOZYCZ-UHFFFAOYSA-N;88.11;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54288;MM54288;CC=CNC(=NC=O)NC;DTLLWZCFTHAXQT-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54289;MM54289;CCC(C#N)NNC=O;DIKADPQEBQUNMQ-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54290;MM54290;C=CCC(C)(CN)C(N)=O;IWSSPJHNURRRHJ-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54291;MM54291;CCC(C=O)OCC#N;VUNWFIDJOXNFSG-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54292;MM54292;C=CC(CO)OCC#N;HPKKRZLEHQCQAX-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54293;MM54293;C=CCOC(C#N)CO;ZITZVCDYJJOPLR-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54294;MM54294;O=CCOC(C=O)CF;HZCRSPFFAUGBJW-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54295;MM54295;N#CCOC(C=O)CF;XKZOMJQYOUPHDO-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54296;MM54296;N#CC(CF)OCC=O;VKMVLGPUTFZMKD-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54297;MM54297;C=CC(OC)OCC=O;HAGGQPWNZGKMPN-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54298;MM54298;C=CC(OC)OCC#N;FUTULKDHIHOBIV-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54299;MM54299;COC(C=O)OCC=O;CUOMYDZNJOUCKP-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54300;MM54300;COC(C=O)OCC#N;GMEDQGZQDNFAAA-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54301;MM54301;COC(C#N)OCC=O;SQWKKIDLMIVIIA-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54302;MM54302;COC(C#N)OCC#N;QSGVNMSAPFFNBX-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54303;MM54303;CCC(C#N)ONC=O;OFMKEMXWENENNP-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54304;MM54304;C=CNC(C)=NNCC#N;RKTXOCHBFMZXKS-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54305;MM54305;C=CC(OC)ONC=O;NLRSNBWGVHCEKK-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54306;MM54306;CC(CC#N)N(C)C=NO;ABSWIQALVVOBHE-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54307;MM54307;COC(C=O)ONC=O;RJGJZVLUPKSPKW-UHFFFAOYSA-N;133.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54308;MM54308;C#CCC(OC)OC(=N)N;HPMORDHRRPNPQA-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54309;MM54309;C=CCCN(C=O)OC;TYOGYXAMVPEBRP-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54310;MM54310;CON(C=O)CCC#N;XBYZGPLTABIQMD-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54311;MM54311;C=C(F)C(C)N;PQHYZAAPHSPTRM-UHFFFAOYSA-N;89.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54312;MM54312;CNC(C)(C=O)CCF;NKHVNVIOUPLNGS-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54313;MM54313;C=CC(=C)NC(=N)OC;KXPOWJIWXCYADW-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54314;MM54314;CCN(C=O)OCC#N;XOBGXJNBXXQLHY-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54315;MM54315;C=CNC(=N)ONC=N;JDEQQELUTQBIAI-UHFFFAOYSA-N;128.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54316;MM54316;C#CCOC(C#N)CO;MFQKXYIAFQBERK-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54317;MM54317;C#CCOC(C=C)OC;JMFQAIRKVRBVRH-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54318;MM54318;C#CCOC(C=O)OC;OGDTXBGNECFXPQ-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54319;MM54319;C#CCOC(C#N)OC;AIGSMJGHZNYGRU-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54320;MM54320;COC=CC(=N)NOC;GBEHISRHTJSNMS-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54321;MM54321;N#CC=CC=NNC(=N)N;NUCLYLGGLCZTPR-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54322;MM54322;CC#CC(NC)C(=O)C#N;YNLRHJBLGXVVDG-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54323;MM54323;NC(C#CCF)C=CF;NLKMFFOGAQJDDZ-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54324;MM54324;CC#CC(=NC)NC=N;OKJCLRZGGWRJAI-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54325;MM54325;N#CC(=CCF)NC=N;SWSAVNNVXHOCAE-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54326;MM54326;C#CC(N)C(C)(C)OC=O;DLLZLDMZNWWGCL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54327;MM54327;C#CC(OC)C(C)(N)C#C;NQNQLDBBQOIAND-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54328;MM54328;C#CC(CCCO)OC;ICESGYIXNBXREC-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54329;MM54329;CC(C#N)CC(F)C(=N)N;IDOHLLBHFAAEJL-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54330;MM54330;CCC(=NN(C)C)C(C)N;GDFMEGYQVCFIDL-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54331;MM54331;C#CC(CO)COCC;NEDWVNFRQGTEJX-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54332;MM54332;CON=CCN=CN(C)N;NLDAQABLZIFYLH-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54333;MM54333;C#CC(N)(C#C)C(N)C=C;JZECTJHAIPZKFD-UHFFFAOYSA-N;134.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54334;MM54334;C#CC(CO)OCOC;WNUPLLNUYFESEQ-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54335;MM54335;C#CC(OC)OCCO;YREKFKWHQUXOSK-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54336;MM54336;C=C(C#N)CNC(=N)OC;NUXBLMODDJXTCQ-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54337;MM54337;CC(=NN=CN)C(=O)NN;BFGZJBFZEMWUCC-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54338;MM54338;C#CC(CO)CCC#N;OXFAOEAANSABCA-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54339;MM54339;CCOCCN(C)C=NO;RQUKYHUQBDWITD-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54340;MM54340;C=CN(C=N)C=C(F)C=O;JBWWWDNZLIANLO-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54341;MM54341;C=CCNC(=N)C#CC=O;CMRQYUSLEQTALE-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54342;MM54342;C#CC(CO)COC=O;ZSDVUJDMNHRFPU-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54343;MM54343;C=CC(F)=C(C=O)C(=N)N;TVPRUGRTYMIWLT-UHFFFAOYSA-N;142.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54344;MM54344;CN(C)C=NNC(C)(C)C;BYLGMCGTUWTQEN-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54345;MM54345;C=C(C)N(C=N)OCC#N;MIEIKLVGXYEBQY-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54346;MM54346;C#CC(COC=O)OC;WHJNYSOHORQDMU-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54347;MM54347;CCON=C(NC)N(C)C;CRLUYQYUFKGXFN-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54348;MM54348;C#CC(C=C)NCCCF;AJQPZQXPYBJLKA-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54349;MM54349;CNN=C(C)C(C)N;BYKKXFSAOZIUPG-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54350;MM54350;C=CN(C)C=NN(C)C;UNBWHGDXQYJCEI-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54351;MM54351;C#CC(CO)OCC#N;HEPYNMSAFMCJBS-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54352;MM54352;C#CC(OC)OCC#N;REOJCAYBAYGXPT-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54353;MM54353;C#CC(CC)ONC=O;HPBXIJLZNIUXKY-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54354;MM54354;CCCC(N)C=NNC;JNPHQCMJCZULSN-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54355;MM54355;C#CCOC(C#C)CO;WWHGKGWSYXZLQC-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54356;MM54356;C#CCOC(C#C)OC;BCNAFZSBNATZPT-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54357;MM54357;O=CC(C=O)CCCO;USUBJSULFJSBTN-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54358;MM54358;N#CC(C=O)CCCO;DCPFJCXHRNORKV-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16032;MM16032;O=CC(C=O)CCCF;PKNHTJDBOYCOSE-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54359;MM54359;N#CCCC(F)C(=N)N;XKTJCLCCUWDBRP-UHFFFAOYSA-N;129.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54360;MM54360;N#CC(C#N)N(C=N)C=N;BZRYUZOIFSPOCR-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02872;MM02872;COCCC(C#N)C#N;LHDSTAMWBZYNNY-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54361;MM54361;C=CC(O)C(C=C)NN=C;OERODSXDEHMTCF-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54362;MM54362;C#CCN(O)C(C=C)=NN;ZJSCFJKJAQUPPW-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54363;MM54363;C=CN(O)C=NC=NC=O;LQWPQTPIJLJOPP-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(ethoxymethyl)-3-oxopropanenitrile;MM02676;CCOCC(C#N)C=O;JSSABLVQHSTDAX-UHFFFAOYSA-N;127.14;0.36;88838488;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(ethoxymethyl)propanedinitrile;MM02914;CCOCC(C#N)C#N;SVNZHYZHVDZJFZ-UHFFFAOYSA-N;124.14;0.69;296281;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54364;MM54364;C=CC(C)(CO)N(C)N=C;UHDJCTAEKAMHNW-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54365;MM54365;C=C(C)C(=NOC)NO;JKHHEGVTMWUVAB-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54366;MM54366;C#CCC(=NNC)C(=N)N;XRVOTMXDTGYWTR-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54367;MM54367;C=CC(C#N)OCCO;JIWGIEDHLZMKME-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02597;MM02597;CCCOC(C#N)C#N;YSWRPVQILMWNFG-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54368;MM54368;O=CC(C=O)OCCO;XUXWLFJKDMCPFT-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15835;MM15835;N#CC(C#N)OCCF;NNSPTGCZHQONME-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54369;MM54369;C=CC(C=O)OCOC;UYFCULCEMBCYHW-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54370;MM54370;C=CC(C#N)OCOC;IOLWOSSWRKAXJB-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54371;MM54371;CCNN=C(C)C(C)N;BIBXFNVATATRAP-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54372;MM54372;C=CN(C=O)CCCF;KPVDBDORKIZNCJ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54373;MM54373;N=C(C#CC=CF)NN;OCRMQWSYRJMIGC-UHFFFAOYSA-N;127.12;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54374;MM54374;CCCCN(C=O)C=O;BHNIRWBQJGHKEE-UHFFFAOYSA-N;129.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54375;MM54375;C#CC(=NCC)NC=N;FHTAVXWBZFBGIU-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54376;MM54376;C#CCNCCCC#N;HJFUYIWVEUNZRS-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54377;MM54377;CCCC(N)C=NN(C)C;LLEIWEAVCSPECD-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54378;MM54378;CC(F)C#CC(=N)N(C)N;YUNLOZMPKGOHIH-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54379;MM54379;CCCON(C=O)C=O;QLGBUGRUZCHCKR-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54380;MM54380;O=CN(C=O)OCCF;VTLOBCPODLZQLV-UHFFFAOYSA-N;135.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54381;MM54381;CN(C)CC=C(F)C(=N)N;CXBDNCUNALQTKI-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54382;MM54382;C=NN=CCN=CN(C)N;AKEYRDMWMQEPDL-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54383;MM54383;C=CC(C=C)CCC=O;LKWFRVUMZQIVRK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54384;MM54384;C=CC(C=O)CCC#N;XPBBFJJRSVQQGH-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formyl-5-oxopentanenitrile;MM02443;N#CC(C=O)CCC=O;RCNIMKSAJXVCLK-UHFFFAOYSA-N;125.13;0.3;54259554;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-formylpentanedinitrile;MM02335;N#CCCC(C#N)C=O;XHBUQWXMQRGQHU-UHFFFAOYSA-N;122.13;0.63;54469175;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(3-oxopropyl)propanedinitrile;MM02843;N#CC(C#N)CCC=O;FXYYTPTWUYEENG-UHFFFAOYSA-N;122.13;0.63;124114955;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54385;MM54385;N#CCCC(C#N)C#N;GGOWTSVNWRQHJK-UHFFFAOYSA-N;119.13;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54386;MM54386;CC#CC(=O)ONC(=N)N;ZRDUUOJKTGSETD-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54387;MM54387;C=COC(C)C(=N)NOC;FOVJJBOYSYBEJH-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54388;MM54388;C=CC(C#N)CNC=O;LATSAQIJDLAHJR-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54389;MM54389;C=CC(CO)N(CC)N=C;HJLFVSASRUMJCU-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54390;MM54390;N#CC(C#N)CNC=O;IFDAYERULSQJSP-UHFFFAOYSA-N;123.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54391;MM54391;C#CC(C)N(N=C)C(=N)N;ZFXATWGJGXWKEJ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54392;MM54392;C=NNCC(C=O)C=O;DCSYWNQPRFIMTH-UHFFFAOYSA-N;128.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54393;MM54393;C=C(C#N)CONC=N;DDSNJEFGIUXKLQ-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54394;MM54394;C=NNCC(C#N)C#N;PAUJURHCQLNVPF-UHFFFAOYSA-N;122.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54395;MM54395;C=CC(C=O)COC=O;QMUAXVSXTBFSOL-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02863;MM02863;C=COCC(C=O)C=O;RVWXIVRRAVLVHU-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02907;MM02907;C=COCC(C#N)C#N;DQZCKALVCVHICI-UHFFFAOYSA-N;122.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02902;MM02902;O=COCC(C=O)C=O;BNXIJWDAQRVNMG-UHFFFAOYSA-N;130.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54396;MM54396;N#CC(C=O)COC=O;BDUYBJJEQYPQGN-UHFFFAOYSA-N;127.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54397;MM54397;CC=C(C#N)CONC=N;DKKBBGAESMKSIL-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54398;MM54398;C=NOCC(C=O)C=O;ITTMCNASHVOAHE-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54399;MM54399;N#CC(=CN)CONC=N;WBWFAOLJAQNZGS-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02943;MM02943;C=NOCC(C#N)C#N;NCCUGKFGPGCVKL-UHFFFAOYSA-N;123.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54400;MM54400;C=CCC(N)C(C)=NNC;BWZNDGNHHWEVJD-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54401;MM54401;C#CC(O)C(=N)NC=CC;LCUUFESKFZJYRO-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54402;MM54402;C#CC(O)(C=COC)CN;DDLIYCIMMJODRN-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54403;MM54403;C#CC(O)(C=C(C)C)CN;KQWNNIUYFCCUGH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54404;MM54404;O=CCNC(C=O)C=O;LEVVLAVIOWGKRH-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54405;MM54405;N#CCNC(C=O)C=O;PBDOKCOIJVZHGO-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54406;MM54406;C=CCN(N=C)C(C)CO;REFFKSFFRADGNK-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54407;MM54407;N#CC(C#N)NNC=O;NLIYIUHZPBJOPS-UHFFFAOYSA-N;124.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54408;MM54408;C=CC(C=O)OCC=O;YJRXVRZZVKNXFX-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54409;MM54409;C=CC(C=O)OCC#N;GUCCYEXQGBWQCY-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54410;MM54410;C=CC(C#N)OCC#N;BBSHXEZFRZUKQV-UHFFFAOYSA-N;122.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02614;MM02614;C=CCOC(C=O)C=O;KZLQBVVNYOXEHX-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15836;MM15836;N#CCOC(C=O)C=O;LILDODKNYZXIHG-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54411;MM54411;N#CCOC(C#N)C#N;XQZBYBCMSJSHGH-UHFFFAOYSA-N;121.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54412;MM54412;C#CC(O)(C=CC)CN;DGFNKHQGFVKXIT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54413;MM54413;C=CC(C#N)ONC=O;ORZYNFMYNJPXFR-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54414;MM54414;CC(=NNCCF)C(C)N;LPVNGOOGNQIYKW-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54415;MM54415;C=CN(C=O)CCC#N;SUKLLFNTKONJCH-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54416;MM54416;C=CCNN=C(C)C(C)N;RCMRTZUNTNGLQA-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54417;MM54417;C#CC(C)NCC(=C)CF;IHLYHGJTWDSOPU-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54418;MM54418;CCNCC(F)C(=N)NC;VRGNPQVQNPGVTQ-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54419;MM54419;C=CCCN(C=O)C=O;YUJVYIVMWUXZCT-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54420;MM54420;O=CCCN(C=O)C=O;UISXSXDVNDCAPO-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54421;MM54421;CNC(C)C=NN=COC;ZIAZNYNGZGTNDB-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54422;MM54422;CNN=CC#CC(F)CN;KQLFCTVYJIYUHN-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54423;MM54423;CON=CC#CC(F)CN;RDUACOPXUAMCSZ-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54424;MM54424;C#CCNC(C=C)CCF;WWHFJTGNPWCRMU-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54425;MM54425;CNCC(C#CC#N)=CF;YPNLGXXORQERPU-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54426;MM54426;C#CC#CCN(C=N)NC;KJWQOSJDQYUACY-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54427;MM54427;CC#CC(N)C(CF)OC;MQUYZMBJWBVTDB-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54428;MM54428;C#CCNC=NC=CC=O;YLSTYWKUZYBJFS-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54429;MM54429;CCNC(=N)CF;RZQKBQHPCSOLGM-UHFFFAOYSA-N;104.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54430;MM54430;CN(C)CCOC=O;YIONKIGVBTVBLM-UHFFFAOYSA-N;117.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54431;MM54431;C=CN(C=O)OCC#N;RSISXCZJAKBBFN-UHFFFAOYSA-N;126.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54432;MM54432;C#CC(F)CNCC;AQCXNCJXUAAMOE-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54433;MM54433;C=CCON(C=O)C=O;FRXUWNITJQOANL-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54434;MM54434;N#CCON(C=O)C=O;XWSOQTOMKUVLOU-UHFFFAOYSA-N;128.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15685;MM15685;C#CCCC(C#N)C=O;HTJHUZRUNWPZLZ-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54435;MM54435;C=NNCC(=C)CO;PADUODHKBXRIID-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02579;MM02579;C#CCOC(C#N)C#N;SQVFABBZWNPGEM-UHFFFAOYSA-N;120.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54436;MM54436;CCC(N)C=NNC;VGNZSJCLYTVZMS-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54437;MM54437;CC(=O)OCCN(C)C;GOLSFPMYASLXJC-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54438;MM54438;C#CCON(C=O)C=O;YFTUDBRMVZXGIZ-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54439;MM54439;C#CC(O)(C=C)CN;VXXLEDOMTWDZOM-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54440;MM54440;CCC(N)C=NN(C)C;HRCMJLQQJGOUFA-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54441;MM54441;C=CC(N)C(O)C(=C)F;NOCMTVMFOQNRPM-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54442;MM54442;CNCC(O)C#CC(F)F;IDOXVPJWXZQVEJ-UHFFFAOYSA-N;149.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54443;MM54443;C#CCC#CC(O)CN;OXXGQKAESGTTLY-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54444;MM54444;CCNC(=N)C=NOC;LEPVFTYCUKFTJC-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54445;MM54445;C#CC(C=C)OCCO;OKGXECOBWWVRKB-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54446;MM54446;C#CC(C#N)OCOC;PIWOTFJKYNXOET-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-ethynylpentanedinitrile;MM02007;C#CC(C#N)CCC#N;RNONXBLTIXZSPV-UHFFFAOYSA-N;118.14;1.06;87163070;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54447;MM54447;CCNN=CC(N)CC;BGIGOZHANBUXPO-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54448;MM54448;C#CC(C=O)COC=O;MAQLWCFKVNZHDE-UHFFFAOYSA-N;126.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15950;MM15950;C#CC(C#N)CON=C;AGYFTEBEEXYYAR-UHFFFAOYSA-N;122.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54449;MM54449;C=C(C)CC#CC(O)CN;XWRUCXMYAKGSDB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54450;MM54450;C=CC(C)C#CC(O)CN;FNWUNABLOTWNSO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54451;MM54451;C#CC(C=C)OCC#N;CHRIXLWOCIYGFP-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54452;MM54452;C#CC(C#N)OCC=O;CQLKNQOCSNJLTB-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15829;MM15829;C#CC(C#N)OCC#N;BCSHBHVCLDJPHJ-UHFFFAOYSA-N;120.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54453;MM54453;C#CC(CCC#N)NC;UEGMLMBJZMXRNG-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54454;MM54454;C#CC(C#N)ONC=O;JSUTWCGYFASRBZ-UHFFFAOYSA-N;124.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54455;MM54455;C#CCOC(C#C)C=O;DXKANINBBFAYNW-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54456;MM54456;C#CC(C)(C#N)NC(C)=N;JVGKZHAOSQIQRJ-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54457;MM54457;CN(C=N)OC(=N)N(C)C;CIFVCEZNKFDSAR-UHFFFAOYSA-N;144.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54458;MM54458;C#CC(C#C)OCCO;WOYXPJGCPADGMD-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54459;MM54459;C#CC(C#C)OCOC;FZTBIEPEQHYGPV-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54460;MM54460;C=CC(=C)CNCC(C)F;DPTPSUALODPHML-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54461;MM54461;C#CC(C#C)OCC=O;JXRVESZUXOBKMJ-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54462;MM54462;C#CC(C#C)OCC#N;SZSIAIHNLYLSRW-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54463;MM54463;C#CC(=O)OCCN(C)C;GMJAANFSYHYSHH-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54464;MM54464;C#CC(=NN(C)C)C(=N)N;LJYWCFCULPXTHI-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54465;MM54465;C=COC(=C)C(N)COC;OKXMRXRTKLTGLI-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54466;MM54466;CC=NN(C=N)CC=O;CJFYMKAUFBUGCM-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54467;MM54467;OCC(CO)CC=CF;GBJPWGWEFRVTHE-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54468;MM54468;C#CC(CF)(CF)NC=N;MSNZXFUGRPWZEZ-UHFFFAOYSA-N;146.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54469;MM54469;C#CC(C=C)(CCF)NC;OERLXGLNOQWXEI-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54470;MM54470;C=CC(=NN=C)C(O)CN;CFEAXNWOFJSLSV-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54471;MM54471;C#CC(CCF)NCC=C;BACGTHUCKANDEF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54472;MM54472;CNC(=N)N(O)C=NN;NSWJBMWUCUXUEH-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54473;MM54473;C#CCN=C(CF)NC=N;FHWOQOQVFXFENJ-UHFFFAOYSA-N;141.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54474;MM54474;COC(CO)CC=CF;KPSBCGBLJQOPRT-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54475;MM54475;CCC(CC=NO)OC;DRHVVFZXSFXECN-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54476;MM54476;COC(CO)CC=NO;XEVXUXIVITUVHA-UHFFFAOYSA-N;133.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54477;MM54477;C#CCON(C=N)C(=C)C;CSACLRPGLJVELH-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54478;MM54478;CC#CC=CN(C=N)C=N;JUKSRDRBBOSSOC-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54479;MM54479;COC(CC=NO)OC;MMNYVOVRJDFRSO-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54480;MM54480;COCC(C)(O)CN(C)C;JFWDUYLDULACQT-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54481;MM54481;C#CCC(N)C=C(F)CO;UQNHGPVGGHRPHO-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54482;MM54482;NCC=NN=CCN;IEKLCRSGPMPGBT-UHFFFAOYSA-N;114.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54483;MM54483;C=C(CN)C(=CC)NC=O;ZBVWTQQDTBXQKM-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54484;MM54484;CC=COC(CO)CO;CXHRQUWLOZSTPT-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54485;MM54485;CN=CN(C)C(=O)NC;YWONHHYXLPTDMM-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54486;MM54486;CC(=NN=CN)C(N)=O;GBWBGVDGAZUMTF-UHFFFAOYSA-N;128.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54487;MM54487;CC(C)N(C)CC(O)CO;LWTUIMUXHUBWLY-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54488;MM54488;COC(CO)OC=CF;GPCTVLOZGJAGGU-UHFFFAOYSA-N;136.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54489;MM54489;C#CC(NC=N)C(F)C=O;DQBOEGSFXILFGU-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54490;MM54490;C=CC(O)C(N)C=CF;KHOAFPJTWNSZNA-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54491;MM54491;C=NNCC=CCO;HHENZSOINOUKHY-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54492;MM54492;CC(CF)N=CN(C)N;NXQAJOFSNKQDBK-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54493;MM54493;CN(N)C=NCC=NN;PXCPMGZISOKMEH-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54494;MM54494;CC=NNC(C)CCO;LSMBADGLXQZHIJ-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54495;MM54495;CCCOC(C)(CN)CO;PHIARXBLRFURFN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54496;MM54496;C=COC(=CCNC)CO;FFTKJDXUQWBGHR-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54497;MM54497;C=NOCC(N)COC;QAVJDQDNSMJILA-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54498;MM54498;COC(C=O)CC=NO;AAPYWXSAWCOXJK-UHFFFAOYSA-N;131.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54499;MM54499;COC(C#N)CC=NO;LXDBHVLJKFFONR-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54500;MM54500;C#CC(=C)C(C)(N)C(C)O;OPSZDJVOZWNGJN-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54501;MM54501;CCNN(CC)C(N)=O;UVLPSBXBVJMSFN-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54502;MM54502;CC(C=CF)C(=N)N(C)O;GKNSBKRJMIACGE-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54503;MM54503;CCN(C=N)OCC#N;PUCSXAKNXORGEK-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54504;MM54504;N#CC(CF)NC=NO;PLBHRQJNZFWEBR-UHFFFAOYSA-N;131.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54505;MM54505;C=C(C)CC(=N)N(C)O;PFSDGIUOPFDHGQ-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54506;MM54506;CC=COC(C=O)CO;RJTVKDHJIUCAEF-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54507;MM54507;CC=COC(C#N)CO;SPCXZVIGUQQKJF-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54508;MM54508;O=CC(CF)OC=CF;KCTLAOGEJFPOEE-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54509;MM54509;CCC(C=O)OC=NO;ILRPCIQQRZMWBU-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54510;MM54510;CCC(C#N)OC=NO;AILOBGASNHWBAA-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54511;MM54511;CC=C(C)CC(=N)N(C)O;UUGKJEDWBQXPEQ-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54512;MM54512;C=CC(CO)OC=NO;AEQFEMJIENBNBC-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54513;MM54513;O=CC(CO)OC=NO;MZZBOVJSWAQROI-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54514;MM54514;COC(C=O)OC=CF;GPDDXJBBOVTSKZ-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54515;MM54515;C=CC(OC)OC=NO;RVDIBHWGUKDETQ-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54516;MM54516;COC(C=O)OC=NO;GKPUXHYBHIKMSR-UHFFFAOYSA-N;133.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54517;MM54517;COC(C#N)OC=NO;BZRCBARUJCDAHK-UHFFFAOYSA-N;130.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54518;MM54518;C#CC=CN(C=N)C=N;HILFRIANUFLGAG-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54519;MM54519;C=C(CC#N)C(=N)N(C)O;PVPKTIAOOSUAPC-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54520;MM54520;N=CNC(=N)C#CC=CF;IYPHJDPDQIFVTP-UHFFFAOYSA-N;139.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54521;MM54521;COCCCC(F)C(=N)N;VVBJFIDHVFJQOL-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54522;MM54522;C=NN(CC)CC=NO;RICYJXSFJWBLMM-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54523;MM54523;C#CC=C(CNC)OC=O;OXSSLJHIONSIFR-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54524;MM54524;C=CC(=C)C#CC(=N)NN;YQTWXGBHLFHSAS-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54525;MM54525;CON(C=O)CC=CF;XZVDMLUOXNZUNF-UHFFFAOYSA-N;133.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54526;MM54526;CON(C=O)CC=NO;ZEPDKWKWOGOWNR-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54527;MM54527;C#CC(CO)CC=NO;NGDLALXWOJIHFX-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54528;MM54528;NN=CC=CCCO;GAQQJOPJUOBQDO-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54529;MM54529;C#CC(CF)NC=NO;VVFXRIXQTMATBL-UHFFFAOYSA-N;130.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54530;MM54530;C=NN(C=N)CC(=O)CC;BAHRBEVCUXEGMJ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54531;MM54531;NCC(F)=CC=C(F)CN;XUNSTQXCAYCBHT-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54532;MM54532;C#CC(CO)OC=CF;MSFYWWFUWSGKOS-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54533;MM54533;C=NN=CONC=NNC;IIOUZWTVWQXQHV-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54534;MM54534;C#CC(CO)OC=NO;WATPUNURLOBORE-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54535;MM54535;C#CC(=O)C(C)=NN=CN;LPBXIOGNSMMCKK-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54536;MM54536;CC(C#CC=O)=NN=CN;HKMPARFKROHJBM-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54537;MM54537;C#CC(OC)OC=NO;ZAUJNZAPHNTSRH-UHFFFAOYSA-N;129.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54538;MM54538;CC(=NN=CN)C(=O)C#N;UQBOYVXOBKJGPP-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54539;MM54539;CNC(C)CNN=CCO;GOBRQZIYOKWTKN-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54540;MM54540;O=CC(C=O)CC=NO;FUQNAGRIADJUCX-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54541;MM54541;N#CC(C=O)CC=NO;OLENYKQEUOHDKB-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54542;MM54542;N#CC(C#N)CC=NO;SGSRKEJKQOJTRZ-UHFFFAOYSA-N;123.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54543;MM54543;C=CC(C#N)NC=NO;BMGHLMFZEKNQKN-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54544;MM54544;N#CC(C#N)NC=NO;PXHUKEZGKWBTRF-UHFFFAOYSA-N;124.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54545;MM54545;COC(C(C)C)C(N)CO;KZIBJANINBTDGR-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54546;MM54546;CCCOCC(CO)NC;TZVADKHVRSBZRF-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54547;MM54547;C=CC(C=O)OC=NO;TZBOMWQNXQXRHP-UHFFFAOYSA-N;129.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54548;MM54548;C=CC(C#N)OC=NO;UJOWSOOIGZOBFD-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54549;MM54549;O=CC(C=O)OC=NO;ODSWHUHQFLDIKG-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54550;MM54550;N#CC(C=O)OC=NO;BZLKSFGASGUACH-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02955;MM02955;CC=NOC(C=O)C=O;JNVNSWZEWXUETR-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54551;MM54551;CNC(CO)COCC#N;YNPZCRKIRVTMAD-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54552;MM54552;C=C(F)C(=C)C(N)CO;XSAWVMGSXONAHE-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54553;MM54553;C#CC(CC(C)C#N)NC;MNZZEKVYYNEVST-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54554;MM54554;C=CN(C)C(=O)C(N)CC;PSPXKOSUFIBTNC-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54555;MM54555;CC=CCN(C=O)C=O;FOCRPPMLXXSVJU-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54556;MM54556;O=CN(C=O)CC=CF;BSMFTHDBAPGRKT-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54557;MM54557;N=CN(C=O)CC=NO;LHTAESOEMXCOJO-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54558;MM54558;C=NOCC(N)COCC;NLVSMOXWLPZWBD-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54559;MM54559;CCON=C(C)ONC=N;MPGHFSYMUJZCOS-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54560;MM54560;C=CCC(F)=CC(N)CO;OFOPECRWKOJRHI-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54561;MM54561;CCC(CO)C(CN)OC;YXWRJINBXRRFBS-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54562;MM54562;N=CN(C=O)OC=NO;IFHNQYSMOWJALM-UHFFFAOYSA-N;131.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54563;MM54563;C#CC(C=O)CC=CF;AOJAJAJDKHBCIL-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54564;MM54564;C#CC(C=O)CC=NO;ZLMYCUPCAKAXKB-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54565;MM54565;C#CC(C=C)NC=NO;TTZPBUAGIJLPLL-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54566;MM54566;C#CC(C=C)OC=NO;DBZGIKIVINEJDV-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54567;MM54567;C#CC(C=O)OC=NO;JPTCOVWSUZXAJA-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54568;MM54568;CC(=NOC=O)ONC=N;WSGCZXSBGUGHKN-UHFFFAOYSA-N;145.12;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54569;MM54569;C#CC(C#C)NC=NO;JDMKZESAKZNMOY-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54570;MM54570;CN(CCCO)CCCF;MCVVPVSIRFBUML-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54571;MM54571;C#CC(C#C)OC=NO;FVBBXLRPESORKS-UHFFFAOYSA-N;123.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54572;MM54572;CC(F)C(C)(N)CCCO;QPVBFQKLGUBSGG-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54573;MM54573;CC#CCC(CO)CO;SQMRQJCPGHEGJW-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54574;MM54574;C#CC(=CC=CCO)CN;JVBBWOMXQVGCTR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54575;MM54575;CC#CCC(C#N)CO;NOLYOVDQKPSQHW-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54576;MM54576;C#CC(ON=C)C(C)NC;VANHTXGKPILCKP-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54577;MM54577;CNC(C=NOC)CCF;CQRXALXEBMPXPN-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54578;MM54578;C=CC#CCN(C=N)NC;FGKPJYUCYZDHMW-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54579;MM54579;CC=CC(N)C(OC)OC;YHLTZYHPPIWQLJ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54580;MM54580;CC#CC(N)COC;KUPKUGQFQITSNH-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54581;MM54581;CN(C=N)C=NC=O;AJRRLTMCUABEEA-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54582;MM54582;C=CC#CC(F)CN;KIFFLGUEFMSDSK-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54583;MM54583;N=CNN=C(NN)NN;WARALVJLLIFUOA-UHFFFAOYSA-N;131.14;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54584;MM54584;CC#CC(C#N)OC(=N)N;AHHWSWOJDAOVPJ-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54585;MM54585;C#CCN(C=N)NC;BMUVMHGJCPEEQW-UHFFFAOYSA-N;111.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54586;MM54586;C=C(CNCCC)C(N)=O;DVYQSTXYQUWJGB-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54587;MM54587;C#CC(CN(C)C)OC;ZEALMBHJKHEVAJ-UHFFFAOYSA-N;127.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54588;MM54588;N=C(N)C(F)=CCCF;WQJQNPMSRXIBNB-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54589;MM54589;CCCC(C)(CN)C(N)=O;RKFRDRINIZUZBX-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54590;MM54590;CN=CNOC(C)CF;VJMCFNRDONJJFK-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54591;MM54591;C=NN=COC(=N)NC;WYLXUXCBAJCKDD-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54592;MM54592;COCCC(=CF)CO;XAZBUZULJRGNSJ-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54593;MM54593;C=CCCN(C=N)OC;QYIWXVDIXQHSKG-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54594;MM54594;C=CC#CC(=N)NN=C;CCBKGSHFJRKUMV-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54595;MM54595;CC#CCN(C=N)NC;BMUFWXRGHONDSL-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54596;MM54596;C#CCC(N)(CF)COC;QWMQBOODJOHIEF-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54597;MM54597;CC=NOC(=N)NCC#N;ROLSREHBBFZRGE-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54598;MM54598;CON=C(C)NOC;VVXKBCVUHLGEDW-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54599;MM54599;C=C(C)C#CC(=N)NC=N;VHASMKRNGGNQJH-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54600;MM54600;COCCC(CF)=NO;DEDWJYWSUWMXRG-UHFFFAOYSA-N;135.14;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54601;MM54601;C#CCCNC=NN(C)C;WYTPRKNGFJPKNR-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54602;MM54602;CCC(=NOC)NOC;SEVPHLJACLBDAB-UHFFFAOYSA-N;132.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54603;MM54603;C#CC(CN)=C(C)CCO;MJHDSWBSWSVDEE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54604;MM54604;CCC(=NNC=N)N(C)C;QWQYUIRYKQMRKB-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54605;MM54605;C#CC(=NO)C(=N)N(C)O;SPLDJJFQJMVPOZ-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54606;MM54606;COC(CCCO)=NO;CTWLSVGJRWUNLQ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54607;MM54607;COC(CCCF)=NO;XPNXLCCDFILQDC-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54608;MM54608;C=CN(O)C(C=NO)=NC;AWLRONJFQXWUJW-UHFFFAOYSA-N;143.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54609;MM54609;C#CC(C=O)NC(=N)C=C;DSCRZXOTNVLQSN-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54610;MM54610;C=C(C)CNN=CN(C)C;XGORGNICJNHPOS-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54611;MM54611;COCCC(=NO)OC;PYPFPRLEWZRMCQ-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54612;MM54612;CC#CC(N)COCOC;OWMFMBSIRXBJDE-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54613;MM54613;CC=CC#CC(=N)NC=N;LKGOHBHSDWYPNB-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54614;MM54614;CNCC(C)=NN=COC;QEHDZRRNPPIAQU-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54615;MM54615;C=CCC(=N)NC=NNC;KFZXAMUQSPXKLP-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54616;MM54616;COCCC=C(F)C(=N)N;GFXIXYNAWATSDT-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54617;MM54617;CC(NC(=N)N)=C(F)C#N;XFSPYRWHRCRMJJ-UHFFFAOYSA-N;142.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54618;MM54618;N#CCOC(=N)NCCF;GGSXEFWLJVMLIM-UHFFFAOYSA-N;145.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54619;MM54619;C#CC(CF)C(C=C)NC;JXZOYKKQANJDPL-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54620;MM54620;C#CC(CF)CNCC=C;DWNQEHYZCLMMMF-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54621;MM54621;CCOCC(=NO)NC;MHDFXJGPDXSVKK-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54622;MM54622;CC(F)(C#N)CONC=N;GWHLQBXIEDPWCG-UHFFFAOYSA-N;145.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54623;MM54623;CCOCC(=NO)NO;DUPWCEOAARSHJI-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54624;MM54624;C=COCCN(C)C=NO;UCMZZKATZLQSKD-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54625;MM54625;C=NNCC#CCNCC;MGEJKNDPZNADBM-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54626;MM54626;CNC(=NO)NC=O;IUWMIIOEZIYYMC-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54627;MM54627;C=C(N=CNN)C(=C)OC;NESPUMCDBVJXSM-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54628;MM54628;NC=NN=C(C=O)CO;CQXKLGYSIDJBAQ-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54629;MM54629;CC=CN(C)C=NC(N)=O;QYQSGBFWDYOORJ-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54630;MM54630;CC(C#N)C(C)ONC=N;WWENOEMPVZJDIU-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54631;MM54631;NCCOC=NNC=O;ZQECMWINCBTHEV-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54632;MM54632;C#CC(=NO)NC(=N)NN;LWLCYDUHHQMASA-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54633;MM54633;N=CNC(=NN)NC=NO;FGNPTPLRXVKJHO-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54634;MM54634;C=NNC(=O)C(C)(C)CN;PEEBTFYBMRKCDV-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54635;MM54635;NCC(O)C#CCC=CF;ZOGNHELQXIJWCD-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54636;MM54636;CCC#CC(O)CN;NYNZLXFWOFTWLT-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54637;MM54637;C=NN=C(N(C)O)N(C)O;RASJJAXCSNXILW-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54638;MM54638;CCCN=C(NO)OC=O;KOAUBOIGCKGOOS-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54639;MM54639;C#CCCC#CC(O)CN;VXPFSWQKNVVWGL-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54640;MM54640;CN=C(C=NOC)N(C)O;IWKAPHUWARDTKD-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54641;MM54641;CC=NN=COC(=N)NC;CPTGLLVKCWHHIQ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54642;MM54642;CC#CC(O)CN;RLEKTEJRFYHMEF-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54643;MM54643;CC#CC(=CCN)NC=O;BYWSDSNFDQUWGG-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54644;MM54644;CCCNC(=NO)OC;GGGDKOMINFNBFQ-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54645;MM54645;COC(=NO)NCCF;ZSLPXGLNVPMODH-UHFFFAOYSA-N;136.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54646;MM54646;C#CCON=C(C)NO;KLWPOFZCXGSFQM-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54647;MM54647;C#CC(=CCN)NC=O;CNXLIQIBEIIVSB-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54648;MM54648;C=NN=C(CC)C(O)CN;PYMXHJCZFHOVTJ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54649;MM54649;C=CC(O)C(N)C=COC;POUDIHFUQPBUIG-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54650;MM54650;CCCNCC(O)CC#N;JBAZMEHVQBPFSI-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54651;MM54651;C=CC(=NOC)NO;WRPIUDDALVNQGB-UHFFFAOYSA-N;116.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54652;MM54652;CN=C(C#N)N=C(C)NO;PTTOGKIMJCTNNM-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54653;MM54653;CC=NNC(CC)CO;VVNCBEWNSMBKQE-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54654;MM54654;C=CC(NN=C)C(=C)CO;DBQBHAYIPUNGNR-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54655;MM54655;CCNC(=O)N(C)C=NC;OFDCTFRXXRQEEN-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54656;MM54656;CNN=CC(C)C(C)CO;UUXJQUGVWGAVQA-UHFFFAOYSA-N;144.22;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54657;MM54657;CCOCC(N)C(O)CC;JPSCLHRRYPPMEY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54658;MM54658;COC=CC#CC(=N)NN;LAODENKHYIMUMY-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54659;MM54659;OCCOC(=CF)CO;OKAWTFZFAKPIQM-UHFFFAOYSA-N;136.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54660;MM54660;CCNC(=NC)OCC#N;ZYSSFIXNABYPQA-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54661;MM54661;CC=C(CO)OCOC;MYQGTJWUWBFYQI-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54662;MM54662;COCOC(=CF)CO;YHCQDNASTSQZAM-UHFFFAOYSA-N;136.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54663;MM54663;CC(C)(O)C(=CF)CN;CZLQFYQROBPEOT-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54664;MM54664;C#CCC(O)CN(C)C;MGHSQLWFHBWBKU-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54665;MM54665;CC(F)=C(CN)C(C)O;LFRAYTUNXHSXBH-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54666;MM54666;CNN=CCC(C)CO;MESSOCXNRGVSAW-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54667;MM54667;CNC(=NO)OCCF;PPUFZSZCEISZCO-UHFFFAOYSA-N;136.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54668;MM54668;C#CCN(C=N)C=CC#N;IWBYPXSJFRPLBV-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54669;MM54669;C=NN=C(C#CCN)OC;OJFGDGOMHGAQAA-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54670;MM54670;CN(O)C(=N)C=CCC#N;UYZGDMKSCIFPIO-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54671;MM54671;C=NN=CC(C)C(=N)NO;KCDVRAMPHMHCFI-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54672;MM54672;CCCNN=CCC(C)O;JLVTYPHFLGPNAH-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54673;MM54673;CCCOC(=NO)NO;PPYSTWSRQPZSMU-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54674;MM54674;COCC=C(C#N)NC=N;ZSFMSIOOXQWYFO-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54675;MM54675;CCC(=NN=CN)C(N)=O;XAQOSHCQNDMTKE-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54676;MM54676;CNC(=NO)OCOC;LODJLOPZDRRIQH-UHFFFAOYSA-N;134.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54677;MM54677;N=C(N)OC(=N)N;SMCGVHCVEHSGLL-UHFFFAOYSA-N;102.1;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54678;MM54678;CCCC(OC)C(N)CO;BZJOTOJBYIBKJH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54679;MM54679;C=C(C)C=NNCCCO;UNAKMBQKDYYXGF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54680;MM54680;C=CC=NN(C)CCCO;VXXCMEQUQQVXRD-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54681;MM54681;CCCOC(=NO)OC;NHBQYUMVSRDLFO-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54682;MM54682;COCOC(=NO)OC;HJSFYNVBSDLYRG-UHFFFAOYSA-N;135.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54683;MM54683;CCC(=CF)CCC=O;KPLVUIPAAWWCDI-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54684;MM54684;N#CCCC(=CF)CO;KAVBZRNRURAHOD-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54685;MM54685;CCC(CCC=O)=NO;ZTIHMDQDHZDWBB-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54686;MM54686;CNCC(=O)N(C)N;DTBJFJMRRHHFMU-UHFFFAOYSA-N;117.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54687;MM54687;CCN(C)C(CO)CCO;ZPXJCSYYRYOGFE-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54688;MM54688;C#CC(C#N)NC=NNC;QKNCFNYYBJNRSU-UHFFFAOYSA-N;136.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54689;MM54689;C=CCCC(=NO)NO;DUVIHEAQBMDRAF-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54690;MM54690;COC(CCC#N)=NO;YJHGMVDFOXAWAM-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54691;MM54691;C=COCC(N)CF;GKMCSHCBJPRDDL-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54692;MM54692;C=C(C=NNC)CCCO;NTEMHYFEBYQSAQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54693;MM54693;NCC(F)C#CCF;FCUMXXPFFUYDAH-UHFFFAOYSA-N;119.11;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54694;MM54694;C=CC#CC(N)C=C;ABISFDOIZICMEQ-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54695;MM54695;CCNN=CNOC=NN;KZACVNGHTIVYET-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54696;MM54696;C=NNCC(=NO)OC;OPFFGRUISZYUSV-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54697;MM54697;C#CC(=NC)NC=N;KIVZBMGNUCPXKY-UHFFFAOYSA-N;109.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54698;MM54698;C=CC#CC(=N)NC=N;VBCHBEKATSVUCM-UHFFFAOYSA-N;121.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54699;MM54699;NC(C=CF)CO;AAXZKRFJKDGCKT-UHFFFAOYSA-N;105.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54700;MM54700;CN(N)C(=N)C#CCF;REYUNLXAQYGMAL-UHFFFAOYSA-N;129.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54701;MM54701;COCC#CC(F)CN;JWPZZFQAQWUTRD-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54702;MM54702;C#CCN(C=N)CC#C;QNBOCHDVUIXAPX-UHFFFAOYSA-N;120.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54703;MM54703;CCC(=NOC)C(=N)N;ZAZBJBKKNDTXSW-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54704;MM54704;CCOC(CN)CC(C)O;MIVNERSGOBMVDU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54705;MM54705;C#CC(C)CN(C)CCO;DZQRXSYSYAWZBN-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54706;MM54706;CC=CCNCCO;NIKGPERGUAZLLF-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54707;MM54707;C=COCC(=NO)NO;IANQQQPDCPVPJF-UHFFFAOYSA-N;132.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54708;MM54708;NCC(OC=O)=C(F)F;FTQUQIVFPAZZAF-UHFFFAOYSA-N;137.09;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54709;MM54709;CC#CC(C#N)NCC;VLLORBFHDLKIHK-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54710;MM54710;OCCNCC=CCF;JWFXPAAANZHPND-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54711;MM54711;COCC=CCNCCO;QMADLLFXHKIZKD-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54712;MM54712;CC(N)(C=CF)C=CCO;OUUFEBTXGXNXMY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54713;MM54713;CCCOC(CN)CCO;IXBNYCFXUDTBNC-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54714;MM54714;C=CCNN(C=N)C=N;BSOLAWXDBLSOKR-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54715;MM54715;C#CC(N)CC=CCO;QDPHPSNWOBWHLK-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54716;MM54716;C=C(NC(=NN)OC)OC;ITFRZTOFDYJYFX-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54717;MM54717;N#CCNC(CO)=NO;RNMQWAVZSFSZLT-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54718;MM54718;CC#CC(F)(CN)CNC;MHSBYEBNDLNRFS-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54719;MM54719;N#CCCNC=NOC=O;JSLISRHKWZWRJQ-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54720;MM54720;CN(C=O)C=CCN(C)C;RBWTVZFYNROSHR-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54721;MM54721;COCC(C=O)=NN=CN;ZYPYNMIULRJZPT-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54722;MM54722;C=NNC=NC(C)C=NN;WKUSSZMEJAZSGN-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54723;MM54723;N#CCNC(=NO)NO;NIMNEXUVKFSRCW-UHFFFAOYSA-N;130.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54724;MM54724;C#CC(=O)NC(C)=N;ZORVNRBWIUFRGE-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54725;MM54725;C#CCN(C)CC(N)C#C;JEMYVXATYJPIHF-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54726;MM54726;C=CCNC(=NO)OC;GZDZLSYQDAPDOY-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54727;MM54727;COC(=NO)NCC=O;GXTGRSHXJLNILG-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54728;MM54728;COC(=NO)NCC#N;PSSGFAMKJRZTOD-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54729;MM54729;CC(=N)NC(=O)CCF;LHNVXVTYELLJIG-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54730;MM54730;CC(=N)NC(=O)CC(C)F;DXPNDVNHXICRCH-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54731;MM54731;CC(=N)NC(=O)C(C)C;TXXQUWLVCVNKFB-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54732;MM54732;CCC(CN)NC(C)=O;SJIATWDJQTWDMN-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54733;MM54733;C=NNC=NCC(O)C#N;VPEHRGRIXDOOEV-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54734;MM54734;CC=C(CO)OCC=O;GEMMZIIKQQUDQV-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54735;MM54735;CC=C(CO)OCC#N;POSLVLDYYSIGCK-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54736;MM54736;N#CCOC(=CF)CO;NNTLKIUBQBIQKU-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54737;MM54737;CCC(=NO)OCC#N;CCCGZPJTCLRPMK-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54738;MM54738;N#CCOC(CO)=NO;WKCKXHHEWUJCSO-UHFFFAOYSA-N;130.1;-0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54739;MM54739;N#CCOC(CF)=NO;WXZYUXMYFXJSJM-UHFFFAOYSA-N;132.09;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54740;MM54740;C=CN=CNC(=N)COC;YWVQJUNQANFCEO-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54741;MM54741;C=C(C=O)C(=C)C(N)=NO;CYGHTDIFKLFRGB-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54742;MM54742;C=CNC(=O)N(C=N)CC;SQQCJKRUKNPMCF-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54743;MM54743;CNC(=NO)OCC#N;PKCJCNRSVLOIFL-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54744;MM54744;CN(C)C(=N)N(C=N)C=O;IOCHMVLUDDGTIR-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54745;MM54745;C#CC(=C)N(O)C=NC=N;HAIZGDLYODMWJK-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54746;MM54746;CC(O)C(C=O)=NN=CN;PWZQHHKIJUEJHK-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54747;MM54747;CC(=O)C(CO)=NN=CN;KMRUDSOQGRUSJM-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54748;MM54748;CC=NNC(C)(C)CO;UJWJJEKSUXORNF-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54749;MM54749;C=NN(CC#N)C(=N)NO;FLESSRSUARHDQR-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54750;MM54750;C=CCOC(=NO)NO;HDRFVPRBFJHIAM-UHFFFAOYSA-N;132.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54751;MM54751;N#CCOC(=NO)NO;CITBWNRJPRPLBX-UHFFFAOYSA-N;131.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54752;MM54752;CC=NN(C)CC(C)(C)O;HXPGOCYEQFNXIT-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54753;MM54753;C=CCOC(=NO)OC;MTJYEFRIHFPDNN-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54754;MM54754;COC(=NO)OCC#N;ZQRUGYQIQHFWNL-UHFFFAOYSA-N;130.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54755;MM54755;NNC(=NO)ONC=O;VBCJJMQXMPMFSQ-UHFFFAOYSA-N;134.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54756;MM54756;O=CNOC(=NO)NO;WVJWCVVUKAMVSF-UHFFFAOYSA-N;135.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54757;MM54757;COC(=NO)ONC=O;XAPPJBUYVYJOFI-UHFFFAOYSA-N;134.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54758;MM54758;N#CCCC=C(F)C(=N)N;HADOKWNVTXFENQ-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54759;MM54759;C=CC=NN(C)CC(C)O;JVZGIOLLKBWZJW-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54760;MM54760;CCC(=O)NC(CC)CN;GNSBVKYGFLRNMH-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54761;MM54761;C#CCCC(=NO)NO;XQZKXNVIDKCDTE-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54762;MM54762;C=CN=C(COC)NC=N;HNMQFANPACYXDO-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54763;MM54763;C#CC(N)CC(C)=CCO;HTYCQFPZCQUUPN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54764;MM54764;C#CC(C=O)(C=O)C(=N)N;WVMKLMHAWBTTRU-UHFFFAOYSA-N;138.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54765;MM54765;CC(C)(O)CC=NN;VDJDULUNMDXNKS-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54766;MM54766;C#CC(=C)CNC(=N)OC;CUWZIETYRSKTNK-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54767;MM54767;C=NN(C)CCO;NBGAHGIVXFVXDY-UHFFFAOYSA-N;102.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54768;MM54768;CC(CC=O)N=C(N)C=O;YJDMFWGJTPMMMT-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54769;MM54769;CCCNC(C)C(C)=NN;FVOJJKMPSKXMMN-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54770;MM54770;CC(=O)NC(CN)C(C)C;IBWNCINMTUAPHO-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54771;MM54771;CC(=CF)C(N)C#CCF;NWBQQZYBXBCEPO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54772;MM54772;C#CCNC(=NO)OC;ZLBIDEOSQRZAEY-UHFFFAOYSA-N;128.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54773;MM54773;C#CCNCCC(=O)OC;SBKAKQCCCDVNRZ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54774;MM54774;C#CC=COCC(N)CF;LMSALCILGCEECS-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54775;MM54775;C#CCOC(=CC)CO;MDMRAZXRJQRYMA-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54776;MM54776;C#CCOC(=CF)CO;LFDWNOXIHSYGGQ-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54777;MM54777;C=NOC(=NN)NC;WDSOERIMIURVMR-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54778;MM54778;C#CCOC(CC)=NO;ZOXDXUBSLRONEK-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54779;MM54779;CNC(=O)C(C)(C)CN;XMOGWWOHQKRHFS-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54780;MM54780;CCCN(C=N)C=NC=N;SEDGMIUGNVUMHF-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54781;MM54781;CNN=C(C=NOC)CF;YXZUIQDGVUMOOM-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54782;MM54782;C#CCOC(=NO)NC;GNFNAMOPJSVCSD-UHFFFAOYSA-N;128.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54783;MM54783;C#CC(C#CC#N)NC=N;PFXNOGAVIKTMGF-UHFFFAOYSA-N;131.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54784;MM54784;CCN(C(N)=O)C(C)CN;ZUBUQMVOMFGYJQ-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54785;MM54785;C#CC(=NN)NC(=N)CF;JBLXHFBBDGDMIO-UHFFFAOYSA-N;142.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54786;MM54786;CC=CCC(CN)NC=O;VFMJLFNENPDRKP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54787;MM54787;CC(C)C(CN)NC=O;LUCFOQPXJJURBB-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54788;MM54788;C#CCOC(=NO)NO;KDZKJTSLFMIISQ-UHFFFAOYSA-N;130.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54789;MM54789;COC(C=O)CNCC#N;KUBMOTSMRNDWPN-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54790;MM54790;C#CCOC(=NO)OC;KIFCFSDPHUTCLQ-UHFFFAOYSA-N;129.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54791;MM54791;CON(C(=N)CN)C(C)C;RXFJKNGIIHXWKS-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54792;MM54792;C=CC(=CF)CCCF;LHENVHQOEJPMJW-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54793;MM54793;NC=C(C=O)CCCF;NQGVAFQWNMJOQM-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54794;MM54794;CC#CCN(C=O)C(=N)N;KBUGNVXVEQVKDX-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54795;MM54795;N#CC(=CF)CCCO;YIBXWGUGUUOUBK-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54796;MM54796;C=CC(C#CCOC)NC;YSOFXDSKAIPFSL-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54797;MM54797;CN=CNOCC=CC=O;SKQZSKXBVDPQRZ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54798;MM54798;CN=CNOC(C)C;HURDVRZOZZXHPI-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54799;MM54799;CCOCC(N)CF;WTYYPONOLCDPCA-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54800;MM54800;C#CC(F)(CN)C(=C)C;CZVJWGWTKVAFQE-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54801;MM54801;CCCCC(C#N)=NO;UMQGVEOOMXDAJT-UHFFFAOYSA-N;126.16;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54802;MM54802;N#CC(CCCF)=NO;OBMFTVMTAJEEDK-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54803;MM54803;CN(C)CC=C(F)CN;DNBJMFILEPTJJQ-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54804;MM54804;C=C(C#CC(C)CO)CN;ZZFKNUKTAZZOOT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54805;MM54805;COCON=CC(=N)N;GDGYUEAGMCTKKJ-UHFFFAOYSA-N;131.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54806;MM54806;C=CC#CC(=N)NNC;NLGRAKDHAFOENH-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54807;MM54807;N=CNC(=N)C#CCF;CKJOZJNXIPVLIZ-UHFFFAOYSA-N;127.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54808;MM54808;CC(N)C(F)=C(F)CN;QRQLEIRHRLLKPQ-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54809;MM54809;CCCC(CN)NC=O;JVEYOLNKFVWQGE-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54810;MM54810;CCOCC(C=O)=CN;SQGVMEMUBMWIIO-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54811;MM54811;C=CCOCC(N)CF;HELCFRUKGZCHKK-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16475;MM16475;CCOCC(C#N)=NO;SXBSKPRONVWJCD-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54812;MM54812;C=C(C#CCCCO)CN;PNKBBBVOMDXLRO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54813;MM54813;C=CC(F)C(N)COC;FQNSMRHUFATIGE-UHFFFAOYSA-N;133.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54814;MM54814;C#CC#CC(C=NN)=NN;BVDQJSMIKLBEBO-UHFFFAOYSA-N;134.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54815;MM54815;CCC(C)C(CN)NC=O;UWUOXLNQLWPSCR-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54816;MM54816;CC=NNCC(C#N)NC;XGBYIOSFGNJOKS-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54817;MM54817;CCNN=C(C#N)NO;BYSXVJJRGMFVMX-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54818;MM54818;CON(C=N)CCCF;BAQCKCVSQUTALC-UHFFFAOYSA-N;134.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54819;MM54819;C#CC(=NOC)C(C)=NN;YXJBZYFJBRDZLK-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54820;MM54820;CCON=C(C#N)NO;LMEIOXDCFBHMDZ-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54821;MM54821;CC=C(C#N)OCCO;HDBPHYZOEZXLOF-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54822;MM54822;CN=C(C#CC=O)NC;RADBMWMKFHYSOV-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54823;MM54823;N=CNOC=NOC=O;QNHQQXOXNXKWND-UHFFFAOYSA-N;131.09;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54824;MM54824;N#CC(=CF)OCCO;HYFDXJLYSUYHHB-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54825;MM54825;COCOC(C=O)=CN;LEHXYEWPMMPSJP-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54826;MM54826;C#CCC(N)(C#C)COC;RULXCIPAJLUNDH-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54827;MM54827;CC(F)C(C=O)=NN=CN;LCVQNVGOSMGXEN-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54828;MM54828;CCCOC(C#N)=NO;CKIGGUAUVREMFR-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54829;MM54829;N#CC(=NO)OCCF;GZMQAQXBIUKQTJ-UHFFFAOYSA-N;132.09;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54830;MM54830;CON=CC(C#N)=C(N)N;RJYJRXRMEQGBHV-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54831;MM54831;C=CC(=NO)OCOC;QVEIARIITMBQDT-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54832;MM54832;C=CC(=CF)CCC=O;GKCKMKUGKRDNFQ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54833;MM54833;C=CCCC(C=O)=CN;BBJVNHISJOQXOW-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54834;MM54834;N#CCCC(C=O)=CN;QAVFEGATOHUNAQ-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54835;MM54835;CC(C)ON=CONC=N;NADMWWLNVJCCBX-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54836;MM54836;N#CCCC(C#N)=CF;JBLRFQRWLSRFEJ-UHFFFAOYSA-N;124.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54837;MM54837;C=CC(CCC#N)=NO;HWSFSSPFOOCVNG-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54838;MM54838;N#CCCC(C#N)=NO;DWHRTMQFTBHIJZ-UHFFFAOYSA-N;123.12;0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54839;MM54839;CC=C(C=O)CNC=O;ZHDJZLVAGVBKTF-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54840;MM54840;CC=C(C#N)CNC=O;BSLRNBJVMGOCLW-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54841;MM54841;CNC(=O)NC=NC=N;HMJAEZSQJSKQLN-UHFFFAOYSA-N;128.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54842;MM54842;C=NNC(=N)C(C)C#N;APHHWAGELVYUGI-UHFFFAOYSA-N;124.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54843;MM54843;N#CC(=CF)CNC=O;SFTYIOBOTOEYBR-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54844;MM54844;C#CC(=NNC)N(C)O;BYDNIKRCMJXBDN-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54845;MM54845;N#CC(CNC=O)=NO;MNVPEQWZWTYWGS-UHFFFAOYSA-N;127.1;-0.91;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54846;MM54846;CCOCON=CC(=N)N;SQKVUBXGYXLFKP-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54847;MM54847;CC=C(C=O)COC=O;QJJXWHJHLSZCSO-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54848;MM54848;C=COCON=CC(=N)N;PXXBGJCDGPAOKE-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54849;MM54849;CNCC#CC(=O)COC;ASMXIVDPDZCVRA-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54850;MM54850;C=CC(COC=O)=NO;OYWDMOPUYTXOCL-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54851;MM54851;C=COCC(C=O)=NO;MNZTUAMJEASUIO-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16432;MM16432;C=COCC(C#N)=NO;WXBORUWSCJCNOL-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54852;MM54852;N#CC(COC=O)=NO;PMSDVQPPRUYPMS-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54853;MM54853;C=CC(CON=C)=NO;QJDNTGRPCYXLHO-UHFFFAOYSA-N;128.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54854;MM54854;C=NOCC(C=O)=NO;HUSDSRHFYMLQGH-UHFFFAOYSA-N;130.1;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54855;MM54855;C=NOCC(C#N)=NO;NUZFYACOTMTXTR-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54856;MM54856;C#CC(F)(CN)CON=C;ALLDYNBAEDNTHO-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54857;MM54857;C=CC(O)CCNN=CC;RVONONFCMNHFMW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54858;MM54858;C#CC(ON=C)C(=N)NO;SNQOILMOUWLJHK-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54859;MM54859;C=CCNC(C=O)=NO;MKTXLTYEZGWNAQ-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54860;MM54860;C=CCNC(C#N)=NO;UIKLNBRUZQQWLX-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54861;MM54861;N#CCNC(C=O)=NO;HDGVQHGEDCBFRJ-UHFFFAOYSA-N;127.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54862;MM54862;CN=C(C#N)NNC=O;GVEWHTFQCFRPDM-UHFFFAOYSA-N;126.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54863;MM54863;CC(=NOCC#N)NO;ZNHRJDCHIXOJEK-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54864;MM54864;C=CC(O)CCC=NN;YVDGAUSGXNZFKD-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54865;MM54865;N#CC(=NO)NOC=O;LOVGLJSNIAQXDB-UHFFFAOYSA-N;129.08;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54866;MM54866;CC=C(C=O)OCC#N;XMAANECPYZCVOM-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54867;MM54867;CC=C(C#N)OCC#N;LWEWCLVBPMPZRG-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54868;MM54868;C=CCOC(C=O)=CN;XDPYURKBOALCDT-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54869;MM54869;C#CC(C#C)(CN)OC=O;NJEDOYAGIPBFDS-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54870;MM54870;NC=C(C=O)OCC=O;MLCHZYXZIHXJCV-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54871;MM54871;N#CCOC(C=O)=CN;FKJJEHFFLRXGBT-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54872;MM54872;C#CCOC(=N)NCCF;RSLGHKKRRQXBGQ-UHFFFAOYSA-N;144.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54873;MM54873;N#CCOC(C=O)=CF;WSZGHYCXPDRPGG-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54874;MM54874;N#CC(=CF)OCC=O;SXRMVHGHPLXHRK-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54875;MM54875;N#CCOC(C#N)=CF;ZFAKVDJMVLSWAJ-UHFFFAOYSA-N;126.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54876;MM54876;C=CC(=NO)OCC=O;OQHRLRMQWNHCNU-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54877;MM54877;C=CCOC(C#N)=NO;FOCJLTYOLHUFHT-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54878;MM54878;N#CCOC(C=O)=NO;LJAOKIZPVBSLQB-UHFFFAOYSA-N;128.09;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54879;MM54879;N#CC(=NO)ONC=O;DGNIKIVOYLWXHT-UHFFFAOYSA-N;129.08;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54880;MM54880;C=CC(CO)N(C)N=C;HFWCHBJAVFLVNB-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54881;MM54881;CCCCC(CN)NC=O;QKFBAXYRBAWZJF-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54882;MM54882;C#CCOC(C=O)=CC;NJYVEWDRXIEBGK-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54883;MM54883;C#CCOC(C=O)=CN;XNSLKQDEHKCOHU-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54884;MM54884;CC(C)NC(C)(C)C(N)=O;BPWINBTYCQLMNW-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54885;MM54885;C#CCOC(C=C)=NO;JYDZDIANIOKBRQ-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54886;MM54886;C#CCOC(C#N)=NO;KVPPKNPXUIKPIS-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54887;MM54887;C=CC(CO)NN=C;KFRZGVNDQXHMTI-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54888;MM54888;CN(CC#N)C(=N)CC=O;DRTKPEQIMHDFQB-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54889;MM54889;C=CCNC(=N)CON=C;DECSVCRYCCJLOU-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54890;MM54890;C#CC(CCOC)=NO;RPCLHOPFSCSHNR-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54891;MM54891;C#CC(N)C(CF)OCC;OIDDNOFZKYYPJS-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54892;MM54892;C#CC(COCC)=NO;RVNVDTFFFJWOCG-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54893;MM54893;C=C(C#CCC(C)O)CN;DILKXAUCOZKDGH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54894;MM54894;C=CC(C=O)N(C=C)C=N;URDIRDPGPYXFNX-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54895;MM54895;C#CC(=NO)NCCF;UWCHIYCFFVGMGD-UHFFFAOYSA-N;130.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54896;MM54896;CCC(O)CC=NNC;MSTIATBVEGWXTO-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54897;MM54897;C=NN(C=N)C(=N)NC;DIQURUFBFMSSLK-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54898;MM54898;C#CCC(C#N)NC=NC;JJSDIYAXMVAKRD-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54899;MM54899;C=C(CO)CCNN=CC;ZMIHUYDBPJKPFN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54900;MM54900;C=COC(C#N)=CCNC;CYWXEJFWWPKHCO-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54901;MM54901;C#CC(=CC)OCCO;NVQKKQIWHBFXNM-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54902;MM54902;COC=NN=C(CN)CF;CPUULNOSOBJBNR-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54903;MM54903;C#CC(=CF)OCCO;SEDMYBUNUAMBBT-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54904;MM54904;C=C(C#N)C=NNC(=N)N;KKANUXXMEMCZLS-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54905;MM54905;C=CC=NN(C=N)CC=O;DFEOUQRKMXKGEP-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54906;MM54906;CN=C(C)NOCC(C)=O;DZZWNDHLGFWTRB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54907;MM54907;C#CC(=NO)OCCC;DQRGYESFOUPJOT-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54908;MM54908;C#CC(=NO)OCCO;UWRXSSAIPSGZSC-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54909;MM54909;CC(C)NN=CN(C)C;MJCDLSNPWNALRW-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54910;MM54910;C#CC(=NO)OCOC;OUNIUZMJYXXZLY-UHFFFAOYSA-N;129.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54911;MM54911;C#CC(CCC=O)=NO;XGMKWPQKLHLFSH-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54912;MM54912;C#CC(CCC#N)=NO;AUFZIARGZQIKJL-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54913;MM54913;C#CC(=CC)CNC=O;RYJSAHLUEDYLOR-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54914;MM54914;C#CC(CNN=C)=NO;VFLUUOAXYKKAOG-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54915;MM54915;C=CCON=CONC=N;XQQAOMWGSBBJFS-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54916;MM54916;C#CCON=CONC=N;LDSIPCGKWPUJPE-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54917;MM54917;CNCC(=CF)OC;REOHVLDZQSIOIT-UHFFFAOYSA-N;119.14;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54918;MM54918;CN=CNOCCF;HYZTYGZZVCZNOB-UHFFFAOYSA-N;120.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54919;MM54919;CCNN=CN=C(C)NC;UPCTZAOFLFHKTP-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54920;MM54920;C#CC(=NO)NCC=O;YLNQFYNSSRUWNQ-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54921;MM54921;C#CC(=NO)NCC#N;IGBGEEPCAUZVJC-UHFFFAOYSA-N;123.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54922;MM54922;N=CNC=C(F)C(=N)N;BANDKMKMKRORJA-UHFFFAOYSA-N;130.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54923;MM54923;C=C(C#CCCF)CN;PBKKFNAOEHYLOT-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54924;MM54924;CNC(C)C(C)(F)C=O;XWDTVQNIWWNZFP-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54925;MM54925;CN=CNNC=CC#N;MCXZWRHGRBIVAY-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54926;MM54926;C#CC(=NO)NOC=O;UYJDAIVPIYTNSS-UHFFFAOYSA-N;128.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54927;MM54927;C#CC(=CC)OCC#N;JKPDNHODHXAFAC-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54928;MM54928;C#CC(=CF)OCC#N;JHDKIXLKCOYGFQ-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54929;MM54929;C#CC(=NO)OCC=C;ZAMCVTMFSCESKQ-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54930;MM54930;C#CC(=NO)OCC#N;KMNPSCFYTITZLE-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54931;MM54931;C#CC(=C)C(C)(N)C#C;HQHIDPBCKOOOCU-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54932;MM54932;CC=NNC(=N)CCNC;XKWDIXQCTJHZKH-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54933;MM54933;C#CCNC(C#C)=NO;OPFHTYBFQSHDRR-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54934;MM54934;C=NNC(=N)C=CCNC;SKVALRYOIPCTOO-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54935;MM54935;C#CCOC(C#C)=NO;JLOCLDVRTGYDJO-UHFFFAOYSA-N;123.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54936;MM54936;C=C(C#N)C(=N)NCC;KGNGNSOWHIHOGD-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54937;MM54937;C=NNCC#CC(C)NC;YQXIAJYIXSCPKQ-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54938;MM54938;OCC(=CF)CC=NO;ATLPXGGNZGATJS-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54939;MM54939;CN=C(C)NNC(=O)C#N;FFNPBVQEBKUZFI-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54940;MM54940;C#CCC(CN)OC=NO;MQLBGQGCIOWTQE-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54941;MM54941;CCC(CC=NN)=NO;RISXVNOZFNWYCZ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54942;MM54942;C#CC(O)(C#C)C(C)(C)N;JMYBFQUHUURXFN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54943;MM54943;CC(C)=C(C=NO)CN;ULBOUWBCIZLIMU-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54944;MM54944;C=NNC(=O)NC(C)CN;AKBDHCVJOAPVPN-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54945;MM54945;COC(CC=NN)=NO;MNFDADZTYWDABK-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54946;MM54946;COC(CC=NO)=NO;RCNJZEKHDBAAOA-UHFFFAOYSA-N;132.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54947;MM54947;CCNCC(C)(F)C=O;FYZCUNZYVYCLBF-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54948;MM54948;CNCC(C)C(C)(O)C#N;OGIGDYIJJCRYNO-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54949;MM54949;CNN=CC(CO)C(C)C;GPLAEOCINVQKMZ-UHFFFAOYSA-N;144.22;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54950;MM54950;C=CC(CO)CNN=CC;MMCQLUARUHNZAB-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54951;MM54951;ON=CNC(=CF)CF;ITFYWLBEQDTGKW-UHFFFAOYSA-N;136.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54952;MM54952;C=C(C=NNC)C(C)CO;KKPJJKGRXDWJAQ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54953;MM54953;CNC(C)C#CCC#N;ZRMYPWWKDDXRPU-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54954;MM54954;CN(C=NC=N)C(N)=O;PIERVJCJXUHWCX-UHFFFAOYSA-N;128.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54955;MM54955;CCC(=NC=NO)NC;OAEFWQRDKCEWHX-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54956;MM54956;CCCC=NNCCO;QHXJGVAHUOCTGB-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54957;MM54957;CN(C)CCN(C)C=O;CSLBJRKWKVBRSQ-UHFFFAOYSA-N;130.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54958;MM54958;C=C(C=NNCCO)CC;QDRQLUINYJRANG-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54959;MM54959;CC(O)CCC=NN(C)C;FTQJHVVKXLRSRJ-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54960;MM54960;CN(CC=O)C(=N)C=O;RYTSYYMEGHVPSB-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54961;MM54961;C=C(C=NNCC)CCO;IEXYDNGFENESCJ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54962;MM54962;CC=NNCCCO;FOEXLSWIXAXERL-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54963;MM54963;CC(=O)C(CF)=NN=CN;QHLBUPMTSIPXPM-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54964;MM54964;CNN=CN(N)C=NC=O;ZSGJNFDWVIRIRT-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54965;MM54965;CC=NOC(=NN)NC;QWQDJQVJNPHJRG-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54966;MM54966;C#CC(C)C(O)(C#C)CN;PVSKMXCUJFJKHU-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54967;MM54967;CNC(C)(C)CC(O)C#N;AMHHBWMYCDNADO-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54968;MM54968;CNN=CC(N)C(C)C;WQHCCYILPKHXDF-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54969;MM54969;C#CC(F)C(O)C(N)C=C;FINDXZPZQBINRG-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54970;MM54970;COC(=O)C(=NN)NN;RYFOLCFTVTZUAI-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54971;MM54971;C=CC(O)(C=NN=C)CN;NPXVIFHAJUMLGF-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54972;MM54972;C=C(C)C#CC(C)(O)CN;PFEBMXTUCCIMGM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54973;MM54973;CNN=CC(O)CN;IRIPWGCEQWAWKZ-UHFFFAOYSA-N;117.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54974;MM54974;C=CNC(=NC)N(O)C=N;JTOZEESUSPIWTR-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54975;MM54975;CN=C(N)C#CC(F)C=O;FTIXPBJDXHEFFA-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54976;MM54976;CC(C)C(O)CONC=N;ZDHXTARXWDFIKQ-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54977;MM54977;COC(=O)C(C)=NN=CN;DZPHZALRFPTQIT-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54978;MM54978;C#CC(=NC)NN=C;LKFZGLCQNKYEJQ-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54979;MM54979;C=CN(C=N)C(=C)C=O;HNWWBEYYGHFMMT-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54980;MM54980;CCC(=NC)N(N)C=N;FFXGUWOGLZJNLF-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54981;MM54981;C=CNC=NOC(C)=O;DHNBSMDIFPNTJE-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54982;MM54982;COC(=O)C(C)(C)N=CN;DYSRNLVZQCIOFC-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54983;MM54983;C=CNC(C=CN)=NN=C;CMBBBNDYUSSOPV-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54984;MM54984;CC#CCC(=N)NC(N)=O;SSQLQVCBLHWXOD-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54985;MM54985;CC=CNC(=NO)OC;USPCDWLOCMGQPP-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54986;MM54986;COC(=NO)NC=CF;HMIXNYPHHOGCFM-UHFFFAOYSA-N;134.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54987;MM54987;C=CCC(=O)NC(C)=N;LTWGPAXORQIFMI-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54988;MM54988;C=CC(=C)C(O)CN(C)C;YREFZSJROWRNQJ-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54989;MM54989;C#CCC(O)C(N)C=CF;FEMPRJDZTLMKGB-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54990;MM54990;CNC(C=COC)=NO;KSVBRUHTLSKAOO-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54991;MM54991;C#CC(=O)NC(C)CN;CCEVSSXFEAOFBR-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54992;MM54992;C=C(CO)C(C)(N)CO;FNRXOIJUUCNHSP-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54993;MM54993;COC=C(CN)C(C)(C)O;UEGAFLHDZWFWKG-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54994;MM54994;CNC(=NN(C)C)NO;TYFJOSFGDVDOND-UHFFFAOYSA-N;132.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54995;MM54995;CCOC=CC(=NO)NC;SCNMBSFGUSPORG-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54996;MM54996;C=C(C)C(O)CNN=CC;IDZMJSOEAWYOHX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54997;MM54997;CN=CN=C(NC)NO;ZSJYXFNKJIZZBZ-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54998;MM54998;CC(C#N)=C(CO)N(C)C;UFBWVOBVNOTLPZ-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM54999;MM54999;CC(O)C(C)(C)C=NN;GLFLWNHHJHVROK-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55000;MM55000;C=CC(=NOCC)NO;RAXBFCZAIBZCNQ-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55001;MM55001;NN=C(N)C(N)=O;PCZOXENICTWAFR-UHFFFAOYSA-N;102.1;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55002;MM55002;CC=NNC(=NO)NO;YNBNVTKUJPLMMS-UHFFFAOYSA-N;132.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55003;MM55003;CC=NNC(=NO)OC;GGMSGPPUGDIMCM-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55004;MM55004;CCCOCC(N)C(C)O;FHNFCXRQGKUFQX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55005;MM55005;CC=C(CO)OC=NO;FTCFOPFIQLZKNJ-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55006;MM55006;CCC(=NN)OC=NO;OEAPTWGNPKQZOA-UHFFFAOYSA-N;131.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55007;MM55007;CCC(=NO)OC=NO;MMUDFGKXTVFBIX-UHFFFAOYSA-N;132.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55008;MM55008;OCC(=NO)OC=NO;JXRQRIFMHQPHQC-UHFFFAOYSA-N;134.09;-0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55009;MM55009;C#CC(F)=CC(N)C(C)O;FXBDWNQPCOYOCV-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55010;MM55010;ON=COC(CF)=NO;DJKYBTFMYFGLCW-UHFFFAOYSA-N;136.08;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55011;MM55011;CC=NNCC(C)O;LESFIMBGLFWWTQ-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55012;MM55012;CNN=CCC(C)(C)O;ZOIRROILBFESTO-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55013;MM55013;C=CC(O)CCN(C)C;RSQMIKXIHSNUBY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55014;MM55014;CNC(=NO)OC=NN;ZFXULCFGTUJPLG-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55015;MM55015;C=NN=CCC(=N)NO;GWHNADRTKYUMKR-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55016;MM55016;CC=NNCC=CC(C)O;YHDLJQPOEBIFDV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55017;MM55017;CCCNN=CC(C)CO;BJCCNTQJUVSLAR-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55018;MM55018;NN=C(NN)OC=NO;JQQMGWLTAZHPIP-UHFFFAOYSA-N;133.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55019;MM55019;C=NNCCO;JCWKZKKGOATXGV-UHFFFAOYSA-N;88.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55020;MM55020;CCC(C=NN)=CCO;YMFDPALQOKAPFI-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55021;MM55021;NN=COC(=NO)NO;PYFDJCVLHCFGHV-UHFFFAOYSA-N;134.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55022;MM55022;ON=COC(=NO)NO;QHLXGNMOQUITIP-UHFFFAOYSA-N;135.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55023;MM55023;CCNN=CC=CCO;FRBZVELORQQBAY-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55024;MM55024;COC(=NN)OC=NO;JAVFBLHNWQLLTG-UHFFFAOYSA-N;133.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55025;MM55025;COC(=NO)OC=NN;ZVPVHBKZXUPBLM-UHFFFAOYSA-N;133.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55026;MM55026;COC(=NO)OC=NO;UDUDCKDSKQJVDP-UHFFFAOYSA-N;134.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55027;MM55027;C=C(CCO)CNN=CC;MIUDXJQBYDMNTI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15465;MM15465;CC=NOC(CC)=NO;WERBRECGGOJTFI-UHFFFAOYSA-N;130.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55028;MM55028;CNN=CC(C)C(=N)NO;VZIAWSMKBRTULH-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55029;MM55029;CC=NOC(CO)=NO;QJKIAFIRVATJET-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55030;MM55030;CN(C)C(CC=O)=NC=O;ALWUHKROIAXLQT-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55031;MM55031;CC=NOC(CF)=NO;WZGGUGWRKYCBCE-UHFFFAOYSA-N;134.11;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55032;MM55032;CC(C)=CC(N)C#CCF;KFLWTWFFVRAECL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55033;MM55033;C=CN=C(C=CCN)NO;SRBFGHHPEGAVEH-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55034;MM55034;CC=NOC(=NO)NC;BZTKUGWAXRGBIR-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55035;MM55035;CNC(=NN)ON=C(C)C;AUXJIIINBBYMSV-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55036;MM55036;C#CC(=NN)N(C)OC;QGIGVKPOOSFXIA-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55037;MM55037;C=CCC(F)=C(CN)CO;IZODTJVMGOXOQP-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55038;MM55038;CNC(C)C(=COC)CO;APZUYTSICAJEQP-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55039;MM55039;CC=NOC(=NO)NO;XBHPNJILYZKOPH-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55040;MM55040;CC=NOC(=NO)OC;JCOCGGVNYZYIRN-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55041;MM55041;NC=C(C=O)CC=CF;CWCDSZXRCXPKEI-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55042;MM55042;O=CC(=CF)CC=NO;FLHKPOYEUOGADG-UHFFFAOYSA-N;131.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55043;MM55043;N#CC(=CF)CC=NO;WIRHRZQPSZZUMX-UHFFFAOYSA-N;128.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55044;MM55044;C=CC(CC=NO)=NO;CAJKRYXESOGCIG-UHFFFAOYSA-N;128.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55045;MM55045;CCCOC(C)C(N)CO;ZSSBTPOFQCFXOC-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55046;MM55046;COC(=N)NC(C#N)=CF;SVDVOLKCRAEHDE-UHFFFAOYSA-N;143.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55047;MM55047;C#CC(=O)NC(=N)CC;WBAYGFPBTRDVBF-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55048;MM55048;O=CC(=CF)NC=NO;MGWBGIZIWJVRKP-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55049;MM55049;N#CC(=CF)NC=NO;LKHXASGIHHFCFK-UHFFFAOYSA-N;129.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55050;MM55050;C=C(C)CC(=O)NC(C)=N;BRJRHWUWATVBNV-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55051;MM55051;C=CN(C=NO)CC;WOHRWIOLQCEVIS-UHFFFAOYSA-N;114.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55052;MM55052;C#CCOC(C)C(N)CO;KVCIIBCVTPXPSH-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55053;MM55053;N#CC(=NO)NC=CF;LZTUQPSMVRIMCN-UHFFFAOYSA-N;129.09;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55054;MM55054;CC=CC(CO)NC;AVIDDDWEJICGBH-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55055;MM55055;CNC(C=CCF)CO;WCXIAGGATGXKQM-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55056;MM55056;C=CC(=NC=NO)NN;GKUYUHHDPZKEGW-UHFFFAOYSA-N;128.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55057;MM55057;C#CC(C#C)=CC(N)CO;XYLDNHSCLCEEOJ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55058;MM55058;C=CC(=NO)NC=NO;HPFHZGWKDDPFQX-UHFFFAOYSA-N;129.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55059;MM55059;CNC(C=CCCF)CO;DDSMHDVXCBOFPW-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55060;MM55060;CC(C#N)(C=O)N(O)C=N;PMBYPRRONFJAEV-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55061;MM55061;O=CC(=NO)NC=NO;VFZVTCJOFIICHU-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55062;MM55062;N#CC(=NO)NC=NO;JSKCJDRLUOGSQA-UHFFFAOYSA-N;128.09;-0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55063;MM55063;C#CCC=CC(CO)NC;UTPIJRHPVJXLCT-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55064;MM55064;CC=NN=C(C=O)NO;JHMUFHBOGAUPGM-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55065;MM55065;CC=NN=C(C#N)NO;HSYNEBVTPQAJBU-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55066;MM55066;CC=COC(C=O)=CN;GPJAKZFJHZOGPA-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55067;MM55067;CC=C(C=O)OC=NO;OQVSLLZMSWNOIV-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55068;MM55068;CC=C(C#N)OC=NO;VJUVZZGPWZQTAG-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55069;MM55069;NC=C(C=O)OC=NO;JCIJECZAFRELNY-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55070;MM55070;N#CC(=CN)OC=NO;PDSOJTAKNJFXQE-UHFFFAOYSA-N;127.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55071;MM55071;O=CC(=CF)OC=NO;FQGIHMLOLBSYSH-UHFFFAOYSA-N;133.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55072;MM55072;N#CC(=CF)OC=NO;BNASQAJWFMTPSO-UHFFFAOYSA-N;130.08;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55073;MM55073;CC=COC(C#N)=NO;VDMQXBWWUPGFKW-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55074;MM55074;O=CC(=NO)OC=CF;YNHOEAKCYNGXBA-UHFFFAOYSA-N;133.08;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55075;MM55075;N#CC(=NO)OC=CF;TUZABLVRNFQVLT-UHFFFAOYSA-N;130.08;0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55076;MM55076;C=CC(=NN)OC=NO;KFCRHTUMUFJPJF-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55077;MM55077;C=CC(=NO)OC=NN;YHXDDVDUIOTWAH-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55078;MM55078;O=CC(=NO)OC=NO;XEYBYWHRNWSYAT-UHFFFAOYSA-N;132.08;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55079;MM55079;N#CC(=NO)OC=NO;FELOPQDDIWDJMG-UHFFFAOYSA-N;129.08;-0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55080;MM55080;CC=NOC(C=O)=NO;UWUWGUQTWZYGIM-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16564;MM16564;CC=NOC(C#N)=NO;LOYBWCCFYDFWOM-UHFFFAOYSA-N;127.1;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55081;MM55081;CC(N)CNC(=N)C(C)F;ZKAHXFFJMXLOML-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55082;MM55082;C#CC(CC=NO)=NN;YKLRRMIFHJBYOI-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55083;MM55083;C#CC(CC=NN)=NO;HMQWQFDIRRJTOA-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55084;MM55084;C#CC(CC=NO)=NO;NEXUKHYFKZAOBC-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55085;MM55085;C#CC(CN(C)C)N(C)C;WOWHNEIJUZXCHN-UHFFFAOYSA-N;140.23;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55086;MM55086;CCC(C)(C#N)N=CNC;OLAQHIICHIGKAB-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55087;MM55087;C#CC(=CF)NC=NO;YZSVNUXEZDGDEV-UHFFFAOYSA-N;128.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55088;MM55088;C#CC(=NC)NCC(C)O;CHFTVGXUVIKDTA-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55089;MM55089;C#CC(=NC=NO)NC;AXFBQPSYBZXCEK-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55090;MM55090;C=CC(O)C(C)NN=CC;DUPXFEBEYJNJKE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55091;MM55091;CC(C)=CCNCCO;CMWCWZHVLQQDOV-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55092;MM55092;CCOC=CN(O)C=NN;KKSBYZLUUMPPHX-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55093;MM55093;C#CC(=NO)NC=NO;SWRDYPLDJWTGCA-UHFFFAOYSA-N;127.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55094;MM55094;COC(=NNC(=N)N)NN;CWCXXUSVAOWPPL-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55095;MM55095;CC=CC(=O)NC(C)CN;VFCALYZFEOWUSP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15458;MM15458;C#CC(=CC)OC=NO;HXOAQQRZWJMXKU-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15469;MM15469;C#CC(=CF)OC=NO;UEBHTHJZNUIMFW-UHFFFAOYSA-N;129.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55096;MM55096;C#CC(=NN)OC=NO;MDEHGCRXDMJQHG-UHFFFAOYSA-N;127.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55097;MM55097;C#CC(=NO)OC=NN;BQDASVSTJDIXRV-UHFFFAOYSA-N;127.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55098;MM55098;C#CC(=NO)OC=NO;QWSSPLQKMJFJKW-UHFFFAOYSA-N;128.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55099;MM55099;C#CC(=NO)ON=CC;DZBGEJPYVSEERZ-UHFFFAOYSA-N;126.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55100;MM55100;C#CC=NNC(=N)NC=N;RHHCZKRHBWSRFA-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55101;MM55101;C#CC(=NNCC)N(C)O;LFKSQJWDYMKXRZ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55102;MM55102;C#CC(=C)OCC(N)C#C;CUORBPOIRJHJEW-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55103;MM55103;CC(C#CC(F)CN)CF;ROTXINLXNFSKHD-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55104;MM55104;CNC(C(N)=O)C(C)C;DACXAEBOHWZDAM-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55105;MM55105;CCC(=N)NC(=NC)OC;QAULWGQZLIPFIO-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55106;MM55106;COC=CC(CO)CO;PHIUEJCCZCBTOJ-UHFFFAOYSA-N;132.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55107;MM55107;CC=NN(C)C(C)(C)CO;JHXXHJSXEITJPN-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55108;MM55108;CN=C(CF)N(C)O;QUCFSVHNYZGHGI-UHFFFAOYSA-N;120.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55109;MM55109;C#CC(=NC)NC(C)=NC;MFXHTLFGUUKDQY-UHFFFAOYSA-N;137.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55110;MM55110;CCN(C=O)CCN(C)C;JEWXYCBCGZDSPB-UHFFFAOYSA-N;144.22;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55111;MM55111;COC(C=CCF)CO;ITPBOOSDRSNAFF-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55112;MM55112;C#CC(C#CC=O)NC=N;OMLABJAAVPSUTM-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55113;MM55113;COC=CC(CO)OC;AGILPKLSIWCMST-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55114;MM55114;COC(C=CCO)OC;GIMNCOOATDDACO-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55115;MM55115;COC=CC(OC)OC;JGVSIZVWGGQMPY-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55116;MM55116;CC#CC(F)CN;SRAYPVJZXYXKGV-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55117;MM55117;C=C(C)C(CC(N)=O)NC;CZRIYBBFXXBLQK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55118;MM55118;CC=NNC(C)CO;YOAKVUZVAQMLKH-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55119;MM55119;C#CC(C)(F)CNC;SBCUSAHXPXOWHD-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55120;MM55120;CC(=CC=NN)CO;KZHXCOFYZGBGRJ-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55121;MM55121;CCN(C)C(=N)CF;GNXRIMJSQXIDAH-UHFFFAOYSA-N;118.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55122;MM55122;C#CC(N)COC=C;PEHSNPCUEPLXRY-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55123;MM55123;CC(O)C(C)C=NN;IIUHCQFFBDWJAK-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55124;MM55124;N#CCON=CC(=N)N;YSKRBMXTTYPAKN-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55125;MM55125;CN(C)C=NC=NC=N;IXMHKXKMTGIAJJ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55126;MM55126;CC(O)C=CC=NN(C)C;DXVJTHSVSAPFNE-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55127;MM55127;C#CCN=C(C)N(C)N;MPAVYNQYEWTEOS-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55128;MM55128;CCC(=O)C#CCNC;VKMQECUCSPZLQE-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55129;MM55129;CC(C=NNC(C)C)CO;OIMCBULMBMBERD-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55130;MM55130;CN=CN(N)C(C)CF;AJBUWSPMWWLPMN-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55131;MM55131;COC(C=CC=O)OC;OJFHAFJGQZSFKT-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55132;MM55132;COC(C=CC#N)OC;ZUKUXTOXNDRTCM-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55133;MM55133;C=NOC(C#CC)CN;BXQIATXSTPVIIR-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55134;MM55134;C#CC(C#CC)NC=N;FNZDTNFTYFARSY-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55135;MM55135;C=CCNCCNN=C;GJGCMNYIEFKQIS-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55136;MM55136;NN=CCCNCCF;JTHVDQYSIIYRSQ-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55137;MM55137;C=NN=CC(CO)OC;HHQYENPKASLBQS-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55138;MM55138;C#CCCONC=NC;ABVKWQNSKBFGTC-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55139;MM55139;CC#CC(C)(N)COC=O;DYXBDPFJFWWXDY-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55140;MM55140;CCN(C=NC=O)OC;MDIXRZNSADXJQN-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55141;MM55141;C=CC(C)(C)N(C=N)C=N;VVAZDMUMSHLFLZ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55142;MM55142;C#CC=CC(CO)CO;MIBORTJVQCRVCC-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55143;MM55143;C=CC(C=C)=NNCCO;BHWFCBDYMPNPDT-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55144;MM55144;C#CC(C)ON=CC(=N)N;SKWUFHRIHHBKMT-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55145;MM55145;CCN(CCO)C(=N)C#N;SEXHJFHVNNDAOI-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55146;MM55146;CCC=CC(C#N)CO;CGCUHCGIBZVMKY-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55147;MM55147;O=CC(C=CCF)CO;OFGUQLQDOFIGRC-UHFFFAOYSA-N;132.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55148;MM55148;N#CC(C=CCF)CO;HHMDEYOMCAQPTP-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55149;MM55149;COC=CC(C#N)CO;SAPYJXPGAKRRAP-UHFFFAOYSA-N;127.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55150;MM55150;CC=NN(C)CCCO;JQMQUQINDQXSEX-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55151;MM55151;NN=CCCCO;ZVHLUHRCWAPIBE-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55152;MM55152;CCOC(=NC)NC(C)=N;VHGAMENYJKCOAJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55153;MM55153;CCN=C(NC(C)=N)OC;YLAQGQHDSYRHGJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55154;MM55154;COC(C#N)C=CCO;BPLYHODKKNIREC-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55155;MM55155;COC(C=O)C=CCF;VNAOVSLDMUQCMD-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55156;MM55156;COC=CC(C#N)OC;DEOCIPJWPLPRLL-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55157;MM55157;CNN=CCCCO;BMVSQNZECGMVEF-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55158;MM55158;C=C(CO)CCC=NNC;CXOOKZBIPGMNQB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55159;MM55159;C#CC(=CCCCO)CN;DTUORQKELQWNRY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55160;MM55160;N=CNOC=NOC(=N)N;NGYGGCSLAZYNKU-UHFFFAOYSA-N;145.12;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55161;MM55161;C=CC=NNC(=N)NN;KBZYQXCBPOVPDP-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55162;MM55162;C#CC(=CC(C)CO)CN;QAECIAXVKQQDLW-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55163;MM55163;C=NNC(=N)CC#N;WCYLOTQZVJQXQO-UHFFFAOYSA-N;110.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55164;MM55164;C=NOC=NN=CC(=N)N;IGLQRZQJTIXSTM-UHFFFAOYSA-N;141.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55165;MM55165;C#CC(=CF)N(N)C(C)=N;JPTJKBBADMTFIR-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55166;MM55166;C#CC(=CCC(C)O)CN;LYFPYKCMSZXJQA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55167;MM55167;CNC(=NN)ON=CCF;UQHXDIZFEJSMJV-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55168;MM55168;C=NN=COC(=N)N(C)C;RDGCYCAEJLDPQP-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55169;MM55169;CC(=NOCC#N)C(=N)N;KKOZQJIFAXOGML-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55170;MM55170;CCN(C=O)C=COC;UCZAQJNMHLXYOK-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55171;MM55171;C#CCON=C(C)C(=N)N;PSRBZSSBVPLSGZ-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55172;MM55172;CON(C=O)C=CCO;UVTUYBXCPNDWNS-UHFFFAOYSA-N;131.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55173;MM55173;CCC#CC(F)(CN)CN;XVLRNOXDOOMXCO-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55174;MM55174;COC=CN(C=O)OC;WRPTXINWKJJYRJ-UHFFFAOYSA-N;131.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55175;MM55175;CCC(C#N)(CF)NC=N;BWLSBVGCGUWVLK-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55176;MM55176;C=CC=NOC(=NN)NN;VYJIYXCITVZBSZ-UHFFFAOYSA-N;143.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55177;MM55177;C=CNC=NCC(C)=O;DRXOOHLTRNEEDW-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55178;MM55178;C#CC(N)COC(=C)CF;REEHLQUCWFNZQS-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55179;MM55179;CC(C)CNN(C=N)C=N;UZIDJQDUODDOMW-UHFFFAOYSA-N;142.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55180;MM55180;CN=C(C#N)NNC(C)C;CNSQDVYGXPVNJN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55181;MM55181;CNN=CN(C=O)OC;CRCFLYRXUDVINM-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55182;MM55182;C#CC(N)COC=COC;NYCWTWKJWIZGNS-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55183;MM55183;C#CC=COCC(N)C#C;AQCWOUAGNQAYJE-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55184;MM55184;C=C(OC)C(=CF)NC=N;RDJGIFDJUWGIEM-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55185;MM55185;C=CC(=NNC)C(F)CN;YRIJVIDOHUVDFX-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55186;MM55186;C=CC=CC(C#N)CO;OWRWDINODFQOGY-UHFFFAOYSA-N;123.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55187;MM55187;O=CC=CC(C=O)CO;KKHMGALMTPSWEE-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55188;MM55188;N#CC=CC(C#N)CO;ZUJDNDGLPFZIKE-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55189;MM55189;O=CC=CC(C=O)CF;WMFXOTZZJIBBTG-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55190;MM55190;C=CC(=NOC)C(F)CN;VWKAWOJPMLSBMH-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55191;MM55191;CN=CN(C=N)C=CCF;MVCDMGROAARWKP-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55192;MM55192;COC(C=O)C=CC=O;HYFWIGXEOLLOHW-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55193;MM55193;COC(C#N)C=CC=O;KCRHJQGFGMVFNS-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55194;MM55194;COC(C#N)C=CC#N;OBHANOBTMCYZPE-UHFFFAOYSA-N;122.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55195;MM55195;C=NN=CC(C#N)CO;XFFGKHBZWZIBTD-UHFFFAOYSA-N;125.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55196;MM55196;C#CC(C#CCF)NC=N;KWRFNSMXDFOGGS-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55197;MM55197;CC(=N)N(C=N)C=CC#N;BTODRXHSVKHMPD-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55198;MM55198;CCCCNN(C=N)C=N;BKVBCNAPUKZIGE-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55199;MM55199;N=C(N)CF;HAIYEFMGUXOXIY-UHFFFAOYSA-N;76.07;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55200;MM55200;C#CC(F)CN;MBKRIJSVILJQPP-UHFFFAOYSA-N;87.1;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55201;MM55201;C#CC(N)COC;SFCJZXPSCKHLPU-UHFFFAOYSA-N;99.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55202;MM55202;CC=C(F)C(=N)N;WAWLBTOWMAGVLM-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55203;MM55203;CN=C(C)N(N)C=N;CILKLZWTLMZEGY-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55204;MM55204;C#CC(N)COCC;RSRAVSBMHQWHQF-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55205;MM55205;C=CC(N)C#CCF;HADUUFMNPNZPRG-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55206;MM55206;CON(C=O)C=CC#N;CHWSKBUFHPGGIJ-UHFFFAOYSA-N;126.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55207;MM55207;C#CC(N)COC(C)C;QWZVFEVKFFPIBM-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55208;MM55208;COC=NN=CC(=N)N;FUFSXLGXOYVDNN-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55209;MM55209;C#CC(N)COCC=C;CJKCPBYNMMVGQE-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55210;MM55210;C#CCOCC(N)C#C;PNGHIMTZTAFDHD-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55211;MM55211;CN=C(C)N(N)C=CF;GCMCAIJEOXWOEJ-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55212;MM55212;CON=C(C)C(F)CN;IYADDUCUESZKHK-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55213;MM55213;C#CC(=NOC)C(C)N;CQKLNWOWJBWYGQ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55214;MM55214;C#CC(N)C(C=C)OC;KSBCPYIQEBQGFW-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55215;MM55215;CNC(CF)CC=NN;RUKLOURRFDXQDL-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55216;MM55216;C=CCCONC=NC;YPPBRBKHKPXPKL-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55217;MM55217;C=CC#CC(N)CN(C)C;HKVCYLPPQDBCFB-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55218;MM55218;C#CC(C)(CNC)ON=C;KMWDUTCPFDFRBA-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55219;MM55219;C#CC(N)COCC(=C)C;OBGHHCLKXDQGGZ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55220;MM55220;C#CC(N)COCC(=C)F;VRKCBHIDMXDXKA-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55221;MM55221;CN=CN(O)C=NO;ANMWHNMGEGNKHO-UHFFFAOYSA-N;117.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55222;MM55222;C=CC(C)ON=CC(=N)N;VLGFOOOHCYOKEY-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55223;MM55223;CCN(C=O)N=CC#N;LANOUMABSTUALQ-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55224;MM55224;C#CC=CC(C=O)CO;ZBKYSOSWLHRVLP-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55225;MM55225;C#CC=CC(C#N)CO;VSMUWQJVILCEDD-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55226;MM55226;C#CC=CC(C=O)CF;XNBWRUIUAGQYTG-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55227;MM55227;C#CC(N)=NC(C)=CC=O;UVTARNANVAQLFZ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55228;MM55228;CCOC=NN=CC(=N)N;XAUSJOQRGWMKKH-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55229;MM55229;C=COC=NN=CC(=N)N;CIVOGJNTVOLSBE-UHFFFAOYSA-N;140.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55230;MM55230;C#CC(C)(C=O)N(C)C=N;KBTMXAAYDUOUBX-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55231;MM55231;CC#CC(=O)NC(C)=N;MSFNVKPLVHIGIK-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55232;MM55232;C#CC(C=COC)CO;NFGMUJIWURHSDP-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55233;MM55233;C#CC(N)COC(C)C#C;YVUBDWNMLPCNHS-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55234;MM55234;CNC(C)C#CC(=O)C#N;IGJCFSQVQDYCKE-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55235;MM55235;C#CC(C=CCO)OC;BILVMIQDZTXTLN-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55236;MM55236;C=CN(C=N)C(=O)NC=N;GSJYUPRRYVGYFY-UHFFFAOYSA-N;140.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55237;MM55237;N=CN(C=N)C=CC(F)F;OGLDFRXJJCOVBH-UHFFFAOYSA-N;147.13;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55238;MM55238;C=CC=NN(C)C(=N)NN;CJKFZORCUCVSSV-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55239;MM55239;C#CC(C=CC#N)CO;KBABXXJRLNLELZ-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55240;MM55240;C#CCCOCC(N)C#C;NBCPAZJEPXVPJH-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55241;MM55241;C#CCN(NC)C(C)=NC;HYRJHNPIKMMGFY-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55242;MM55242;C#CC(C=NN=C)CO;KAJDQCGAXMPUTF-UHFFFAOYSA-N;124.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55243;MM55243;CCC(=NC=N)N(C)C=N;MVVVCBJBLKQLPM-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02566;MM02566;COC=CC(C=O)C=O;NXLACELKGMNLIN-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02562;MM02562;COC=CC(C#N)C#N;SRTSTYIIZGMXGP-UHFFFAOYSA-N;122.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55244;MM55244;COC(=NN)NN(C)C=N;GVFMSFDPOOREIP-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55245;MM55245;C=C(CCF)CNC=NO;VQFNIGHWXANKCX-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55246;MM55246;N=C(N)C#CC(=NN)NN;JKMRAJVICBYVPJ-UHFFFAOYSA-N;140.15;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55247;MM55247;C=CNC(C=C)=NN;XFHGFXWQIUZHHR-UHFFFAOYSA-N;111.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55248;MM55248;C#CC(=C)N(C=N)C(C)=N;WYQSMOMSRZNFPD-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55249;MM55249;C=CCON(C=N)C(=C)C;SMLRXPNSRWHIOO-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55250;MM55250;C=CC(CN)=NN=COC;UVNZTORAJDRULQ-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55251;MM55251;C=CN(C=O)C=COC;MHEBZNQUUZMALD-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55252;MM55252;CC(F)C(=N)N;IEYONQPMIVOIIH-UHFFFAOYSA-N;90.1;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55253;MM55253;COC=CN(C=O)C=O;RHVSHJCGAVNJIT-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55254;MM55254;NC(C=CF)CF;ZOYGUKVSVYVOSS-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55255;MM55255;COC=NNCC(C)(C)N;YBDMFFAZBLECOD-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55256;MM55256;N=C(N)OCOC=NN;YHXNZPPDTXYWDF-UHFFFAOYSA-N;132.12;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55257;MM55257;C=C(NC=N)OC(C)=NN;HABLCNPAIMRSCA-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55258;MM55258;N=C(N)NOC(=O)C=NN;GRGPGIFJWHBMDK-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55259;MM55259;CNN=CN(C=O)C=O;JKVMYBVNSFVOFK-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55260;MM55260;C=CN(C=O)C=NOC;MRTYWUSQMOBGGI-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55261;MM55261;CNN(C=N)C=N;SGBNDJCAWXBCST-UHFFFAOYSA-N;100.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55262;MM55262;CON=CN(C=O)C=O;KOMDTZHTXORWSU-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55263;MM55263;CNCC#CC=O;HZNBWLNWMCRJBN-UHFFFAOYSA-N;97.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55264;MM55264;CON=C(C)C(=N)N;ILHHKXSNOSMPMQ-UHFFFAOYSA-N;115.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55265;MM55265;CC(=O)NNC(C)C(C)C;YJOABXVVIMKJRZ-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55266;MM55266;COC=CC(=NN)C(=N)N;CIANXHGVBFDXRJ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55267;MM55267;CON=C(CO)N(O)C=N;FYPXGXRBEKDJJS-UHFFFAOYSA-N;147.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55268;MM55268;CC(C)ON=CC(=N)N;SNXKUGZVXQORDN-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55269;MM55269;COC(C)=CC(N)CF;LZPXIEUPGAZTBR-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55270;MM55270;COC=C(F)C#CCN;LCJBZOWACCFCEC-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55271;MM55271;C#CC(=NNC)N(O)C=C;FBDLACSAVBDUCK-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55272;MM55272;CCON=C(C)C(=N)N;QFZQWPHNERRVFI-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55273;MM55273;C=CC(N)C#CCOC;QFHATCWFQBNZEL-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55274;MM55274;C=CC=C(C#N)NC=N;SDCOOIRVOFXGPP-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55275;MM55275;C#CC(C#C)C(N)CF;IJLMFUIQBCOWMS-UHFFFAOYSA-N;125.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55276;MM55276;C#CC(C#C)N(C)C=N;HEASSBZVWIUDBF-UHFFFAOYSA-N;120.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55277;MM55277;C=CC(C=C)C=CC=O;VPZYKDMXSRCTPG-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55278;MM55278;C=CC(C#N)C=CC=O;PXOZXFAXXIEHRG-UHFFFAOYSA-N;121.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55279;MM55279;C=CC(C=O)C=CC#N;YXIAUKFQZCOUBH-UHFFFAOYSA-N;121.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15668;MM15668;N#CC=CC(C#N)C=O;OOMYVBWIIMACSE-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16015;MM16015;N#CC(C#N)C=CC=O;MTZIRIMVZLAYTI-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01943;MM01943;N#CC=CC(C#N)C#N;KNNLSKUFVHEPHE-UHFFFAOYSA-N;117.11;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55280;MM55280;C=NN=CC(C#N)C#N;AXZDCIJGSUEXHB-UHFFFAOYSA-N;120.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55281;MM55281;CN=C(CF)N(C)C=N;VVKXBRIWKRLHRR-UHFFFAOYSA-N;131.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55282;MM55282;C=CC(=CF)C(N)CF;AURPBFWKZJZBFI-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55283;MM55283;C=CN(C=O)C=CC=O;JKCAWYUTUMCYLZ-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55284;MM55284;C=CN(C=O)C=CC#N;ZTFLBVHVILBGJT-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55285;MM55285;COC(C)(C)ON(C)C=N;LVOIOCKEQIQAOA-UHFFFAOYSA-N;146.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55286;MM55286;CC(=N)NC(=N)OCC#N;GQYMWGGAEDAIDP-UHFFFAOYSA-N;140.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55287;MM55287;C#CC(F)(CCF)CNC;FRSKOLHGFVZLRI-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55288;MM55288;CC(CNCC(C)C)=NN;ZAWRMNPGMJRJCT-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55289;MM55289;N#CC=CN(C=O)C=O;QHPWEKZXTFLIIC-UHFFFAOYSA-N;124.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55290;MM55290;C=CCCON=CC(=N)N;PFKIMQSDSGWBHM-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55291;MM55291;N#CCCON=CC(=N)N;UDQPWLJUCFYTHS-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55292;MM55292;C#CCCON=CC(=N)N;FYINIXSYQAGGPI-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55293;MM55293;CONC(=N)COCC#N;PUHKXWHUQYFVLX-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55294;MM55294;C=NN=C(C)CN=CNN;VCKRHJIIMHUMES-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55295;MM55295;CNCC=NN(C)C(C)=O;YDXUSKGOYVMJOS-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55296;MM55296;CN(C=N)C=NC(=N)C#N;SAIWRSQIPNHDAP-UHFFFAOYSA-N;137.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55297;MM55297;C=CN(C=O)C=NC=O;WPNBQJPAXYZCNY-UHFFFAOYSA-N;126.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55298;MM55298;C=C(C#CC(=N)NN)CC;BOWYEFYFMDVMIK-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55299;MM55299;C#CC(CN)ON=C(C)C;YODLXEHXWRJHGN-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55300;MM55300;CNC(=N)C(F)CC=NN;DARRWLGCZOKCKZ-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55301;MM55301;CC(CCNCCF)=NN;GGVJWBMGHXVELI-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55302;MM55302;O=CN=CN(C=O)C=O;DAQMDQQPFMTTKC-UHFFFAOYSA-N;128.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55303;MM55303;C=CC(N)C#CCOC=O;QPLCCIYJIBOLFF-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55304;MM55304;C#CC=CC#CC(=N)NN;RRWYOOMGCFABCM-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55305;MM55305;CON(C=N)CCCC#N;RKVKXXRHPFXJMM-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55306;MM55306;C#CC(CN)ON=CC=C;OFJGDDUISJAOMA-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55307;MM55307;C=NN=CN(C=O)C=O;HNZWFMHSOZDAHB-UHFFFAOYSA-N;127.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55308;MM55308;C#CC=NOC(C#C)CN;VLCXZIVRRUYHRG-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55309;MM55309;CON(C=N)C=CCC#N;UTXBYNQSULHBNJ-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55310;MM55310;C=C(COC)N(C=N)C=N;MRTFXHZLPTZWBE-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55311;MM55311;CC(C)(F)C(=N)N;PVZMONQUAVHMFA-UHFFFAOYSA-N;104.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55312;MM55312;CON=CC(=N)N;JUQFQCQPMNGTOL-UHFFFAOYSA-N;101.11;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55313;MM55313;CCON=CC(=N)N;PZOJXMNQWXGKFU-UHFFFAOYSA-N;115.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55314;MM55314;COC=CC(N)CF;OHLCPDMFWDUZHC-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55315;MM55315;C=CN(C=O)N=CC#N;NKQNSJUNMCBPGE-UHFFFAOYSA-N;123.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55316;MM55316;N#CC=NN(C=N)C=O;XLNWKKADIHPTQH-UHFFFAOYSA-N;124.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55317;MM55317;N#CC=NN(C=O)C=O;PXEOQROJJTXKPX-UHFFFAOYSA-N;125.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02003;MM02003;C#CC=CC(C#N)C#N;QUHMYQHSEIXJLX-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55318;MM55318;C#CC=CN(C=C)C=O;UWNGNBDMHGWXEP-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55319;MM55319;C=C(C)CNCC(C)F;ZLWWCZLNVHTOIP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55320;MM55320;C#CC(F)=CC(=N)NN;ZOTGPVLATIDWCU-UHFFFAOYSA-N;127.12;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55321;MM55321;C#CC=CN(C=O)C=O;MZEDLWKVICMDDS-UHFFFAOYSA-N;123.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55322;MM55322;C=C(C)C#CC(=N)NN;LDXGEXMMIDTWDI-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55323;MM55323;CONC(=N)C(=N)NN;ZBMGEIVVZPUUFP-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55324;MM55324;CN=C(NC=N)C(C)F;LVTFWEWOPSAIDU-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55325;MM55325;C=C(C)C(NC)C(C)F;QYQRZUQDFAOHEU-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55326;MM55326;C=CC(NC)C(=C)C=O;AYXGLESQGZWCKR-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55327;MM55327;C=C(CNCC)C(C)=O;CBFVXNAKKFAJPE-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15503;MM15503;C#CC(C#N)C=CC#N;QZSNEUJAFWKZSL-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55328;MM55328;C#CC(N)C(=CF)CF;TWIVQCBCQFRUMN-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55329;MM55329;C=CN(C=N)OCOC;LEMKPSMKPAIYDR-UHFFFAOYSA-N;130.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55330;MM55330;C=CC(=NOCCO)NO;XZQVQBVVVYAOJM-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55331;MM55331;CON=C(OC)C(C)(C)N;VSPYCGBRYRIHAC-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55332;MM55332;NN=C(NN)ON=CCO;CQCCBSKJXWMTBM-UHFFFAOYSA-N;147.14;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55333;MM55333;CCC=CC(CO)=NO;DYJHFHGJTVSANN-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55334;MM55334;C=CCC(O)CC=NN;BOTGPVNTOTUICL-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55335;MM55335;C#CC(=CC=NO)C(C)N;PYZOQLQEHFPNAN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55336;MM55336;C#CC(N)C(C)(N)C#CC;OSNOIGRRSGKTSB-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55337;MM55337;ON=C(C=CCF)NO;DEVAADIJUDRKJE-UHFFFAOYSA-N;134.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55338;MM55338;C#CC(C)(N)C(N)C#CC;AEWSBRRKZADGOE-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55339;MM55339;C=CC(C)(CC=NO)NC;NEONTDOWQARRHQ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55340;MM55340;C=C(CO)C(C)NN=CC;PZNFJHKOFQYSKZ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55341;MM55341;CC(=CC=NN(C)C)CO;QMXRUPRMJLXZTC-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55342;MM55342;COC=CC(=NO)NO;OTPLCNNOMXFQKI-UHFFFAOYSA-N;132.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55343;MM55343;CNN=C(NC)C(=O)NC;SHOYLCCDDVWUCM-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55344;MM55344;COC=CC(=NO)OC;PIECRETWAIRTIA-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55345;MM55345;CC(C#N)=NN=CC(=N)N;NDUTYMXBIFLBLE-UHFFFAOYSA-N;137.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55346;MM55346;COC=C(C#N)NC(C)=N;XHUWFEKLCHNBPD-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55347;MM55347;N#CC(CF)N=CNC=N;LHBBIGBBUVMNLL-UHFFFAOYSA-N;142.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55348;MM55348;CON=CC(CF)=NO;WWXYLJVKQCCSFJ-UHFFFAOYSA-N;134.11;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55349;MM55349;CNN=CC(=NO)NC;IVLZCTZWNOICPN-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55350;MM55350;CNN=CC(=NO)NO;DRXZFKRJAFSRNA-UHFFFAOYSA-N;132.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55351;MM55351;C=C(C)C(N)C(OC)OC;GGJHYCHXGJDXKF-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55352;MM55352;CN(C)N=CCC(C)(C)O;INFXMTWDIYTJAI-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55353;MM55353;CNC(C=NOC)=NO;JGJBVHMZEJWMIC-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55354;MM55354;C=NN(C=NCCO)CC;DKVPQAHPICIHFD-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55355;MM55355;C#CC(O)(C#C)C(=C)CN;KLCXFVGUKUOFEE-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55356;MM55356;CON=CC(=NO)NO;SPENDKWULPWBNP-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55357;MM55357;CN(C=NC=N)CCC#N;WPCGWZXMKOXKRP-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55358;MM55358;C#CCOC=CC(N)CF;LBIVKRWUALVPKX-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55359;MM55359;C#CCC(OC)C(N)C#C;DHFGCLUSJNVGBD-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55360;MM55360;CC(C)C=NNCCO;LTOWCNGPLXKGMA-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55361;MM55361;CNN=CC(=NO)OC;JWRZBCHTFRWZRY-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55362;MM55362;CN(C)C(=CC#N)CCO;JPBQTJGPMWPVOL-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55363;MM55363;CON=CC(=NO)OC;XBOLGXXNTZFQHF-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55364;MM55364;O=CC=CC(CF)=NO;KNLQHRAWHVROLB-UHFFFAOYSA-N;131.11;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55365;MM55365;C#CC(C#CCN)=NOC;YRSAPEUKDCABOR-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55366;MM55366;CC=C(C=NO)CN;BAPDOIJFVIIVNY-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55367;MM55367;N#CC=CC(=NO)NO;UYKJTYJXFZIBNU-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55368;MM55368;COC(C=CC=O)=NO;KBOUYMNXILJKLT-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55369;MM55369;COC(C=CC#N)=NO;ODODGWKGEROOFK-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55370;MM55370;CC=CCC(=O)NC(=N)N;MEGDWYKWBSWCGF-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55371;MM55371;CN(C=N)C=NCC#N;NNZOBDVICICYDO-UHFFFAOYSA-N;124.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55372;MM55372;C=NN=CC(CO)=NO;JSOZHAYETRMRQB-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55373;MM55373;C=CN(C=N)OCOCC;SISUYCWQJHQUDE-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55374;MM55374;C=C(C=NNC=O)C(C)N;YBWLTYSOUIATPQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55375;MM55375;N=CN(N)CC=NNC=O;RRNPTEMUJDLIJK-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55376;MM55376;C=NN=CC(=NO)NO;CNBHKWKXXQXJCS-UHFFFAOYSA-N;130.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55377;MM55377;C=NN=CC(=NO)OC;FYEDKHSQAPFBCK-UHFFFAOYSA-N;129.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55378;MM55378;C#CC(C)(O)C(=NC)NC;SZKVPTVDSWDNBX-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55379;MM55379;C#CC=CC(CO)=NO;VSVDLONBUXIJFY-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55380;MM55380;C#CC=CC(=NO)NO;FCQMKCRESVDQSJ-UHFFFAOYSA-N;126.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55381;MM55381;CCC(CNC)C(O)C#N;DGJRQPYIPUBHDF-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55382;MM55382;C#CC=CC(=NO)OC;CMYSUVWADPUJSL-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55383;MM55383;C=C(C=NN)CCO;RSXWPEDAONIJON-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55384;MM55384;C=COCON(C=C)C=N;IJJQXBQAIMKBCY-UHFFFAOYSA-N;142.16;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55385;MM55385;CCN(C=N)C=NC=NC;NPYQMKWXVLWENO-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55386;MM55386;O=CC(C=CCO)=NO;WGTBSXXIDDNGMP-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55387;MM55387;C#CC(O)C(=NC)NC;KLWCBDFVUKAVBJ-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55388;MM55388;CNC=CC(C#N)=NO;ZRBHHDCDIYFHDJ-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55389;MM55389;COC=CC(C=O)=NO;OVPMYMPMLDDFON-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55390;MM55390;COC=CC(C#N)=NO;MDUJXHDSHGVKQL-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55391;MM55391;C#CCN(C)C;ILBIXZPOMJFOJP-UHFFFAOYSA-N;83.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55392;MM55392;C=C(C=NN)CN(C)C;GDZZITPAXGDADF-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55393;MM55393;C#CC(C)(N)COC=O;QZIDRMKUAUDSMC-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55394;MM55394;C#CC(O)(CN)CN;HMZKEKDAECETRR-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55395;MM55395;C=CC(C=NNC)=NO;JWEVOOOBSDEHGY-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55396;MM55396;C=C(C)C#CC(O)CNC;KASIRIRUUPBUAI-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55397;MM55397;C=CC(C=NOC)=NO;UKRFCKUVRULQAK-UHFFFAOYSA-N;128.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55398;MM55398;CON=CC(C#N)=NO;CZRJHJIIVAGXHL-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55399;MM55399;N#CC=CC(C=O)=CN;KCPDJOJQRKSLEW-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55400;MM55400;N#CC=CC(C=O)=NO;OKEPQMQMOFAJFE-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55401;MM55401;CNC(=NOC)OCC=O;KWPZTWMLRONTEU-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55402;MM55402;C=NOC(=NNC)NN;UWMXVBLSVVZWFO-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55403;MM55403;C=NN=CC(C#N)=NO;FEUJGYKLFHERKU-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55404;MM55404;C#CC=CC(C=O)=NO;DTNBFIVFSVQMDP-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55405;MM55405;C#CC=CC(C#N)=NO;NFCZRWGRUMHHIV-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55406;MM55406;C=C(C#CCO)C(C)NC;WIMWLNNIKDQDRQ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55407;MM55407;C#CC(C=CCO)=NO;KIJFTAQXQVYCTE-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55408;MM55408;C#CC(O)CN;XAWPLGYBQWZYRZ-UHFFFAOYSA-N;85.11;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55409;MM55409;C#CC(N)CCC#CCO;VBSSBBIVAIWTSH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55410;MM55410;CC(C)N=CNCC#N;ULZZOGDDMASCFS-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55411;MM55411;C#CC(C=COC)=NO;GIIMCRGKYZFBHQ-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55412;MM55412;C#CC=NN=CC(=N)N;GGZLEHWBBIIUHT-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55413;MM55413;C#CC(C=NNC)=NO;VQGRSXHWXJQEQT-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55414;MM55414;C=NOC(=NNCC)NN;GXOSETAWCXIVHP-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55415;MM55415;C#CC(C=NOC)=NO;VYKJGFKLTSRGRR-UHFFFAOYSA-N;126.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55416;MM55416;C#CC(C=CC=O)=NO;STQGHYRSHPWSMX-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55417;MM55417;CCONC(=N)COC;BGELPKLTRUCWNM-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55418;MM55418;COC(=N)N(C)C(C)=N;RKVYCSUKFYTTLE-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55419;MM55419;C#CC#CCN(N)C=N;YCPJCYMFBWXTTR-UHFFFAOYSA-N;121.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55420;MM55420;CCN(C=N)C=NC=N;URUAXFSMPGIHHI-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55421;MM55421;CCC#CC(CO)CO;XKCWKNKVOAFKJN-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55422;MM55422;OCC#CC(CF)CF;UUHBARZIWQMBAV-UHFFFAOYSA-N;134.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55423;MM55423;C#CC(C)(N)COC(C)=O;ZUFRDXSAAOWZFF-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55424;MM55424;C=C(C=NNC)CN(C)C;OVPOPFIALUCGJW-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55425;MM55425;COC(C#CCO)OC;OQRIIRFBLFJCIN-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55426;MM55426;COC(C#CCF)OC;SOEGVEHKDCSACC-UHFFFAOYSA-N;132.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55427;MM55427;C=NOC(=O)C#CC(C)N;JZZZEBCWSSMPSL-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55428;MM55428;C=CC#CC(CO)CO;AJOOOSMYFOHAIE-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55429;MM55429;N#CC#CC(CO)CF;ZIKFZAFRMJAISI-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55430;MM55430;CCC(C#CC=O)OC;BGWCMTUBCIIWJH-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55431;MM55431;C=CC#CC(CO)OC;FXAAUBINWJRWJW-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55432;MM55432;COC(C#CC=O)CO;BCBQCJNTYVMADL-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55433;MM55433;COC(C#CC#N)CO;PGUYLONXOGLQAG-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55434;MM55434;COC(C#CC=O)CF;UWHSYJLIGMKQTR-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55435;MM55435;C=CC#CC(OC)OC;PWLHIENQWJEKNV-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55436;MM55436;COC(C#CC=O)OC;AZUPMGATAFNDHY-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55437;MM55437;C=CC(=C)N(N)C(=N)CO;KWQMFOKJDUBBEV-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55438;MM55438;C=NOC(=NN)NN;UMFLDIFSZBGJJK-UHFFFAOYSA-N;117.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55439;MM55439;C#CC#CC(CO)CO;WTRYYKDSCNKBJH-UHFFFAOYSA-N;124.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55440;MM55440;C#CC(C)=NN=CC(=N)N;BVHCJGZTJXJZFU-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55441;MM55441;C#CC#CC(CO)OC;WAYQSFSVFRQJAF-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55442;MM55442;CCOC(C)ON(C)C=N;CQWAEIMNMDDTBT-UHFFFAOYSA-N;146.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55443;MM55443;N#CC(C#CCF)CO;KIBKSCDXESJZIE-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55444;MM55444;N#CC(C#CCO)CF;MLLJIWCJBBIFOY-UHFFFAOYSA-N;127.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55445;MM55445;CC=NOC(=NN)NN;RGBIUSDFEKZXIB-UHFFFAOYSA-N;131.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55446;MM55446;C=COC(C)ON(C)C=N;UOHUENSDWFBUID-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55447;MM55447;C=CC(C#CCO)OC;MYLLHCZJCNCICH-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55448;MM55448;COC(C#CCO)C=O;ZXETWHYVLXBBPM-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55449;MM55449;COC(C#N)C#CCO;HMWRPHQZRYCKQT-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55450;MM55450;COC(C#N)C#CCF;MHYLWKJDLDMCSZ-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01645;MM01645;CCC(C#N)C#CC=O;XEFVMVGIFIEEPU-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55451;MM55451;C=CC(C#CC=O)CO;IRMRDWMERAHBTJ-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55452;MM55452;C=CC(C#CC#N)CO;QRVVEVMTOOQUSM-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55453;MM55453;O=CC#CC(C=O)CO;LEJMDGYJYBHMEW-UHFFFAOYSA-N;126.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55454;MM55454;N#CC#CC(C=O)CO;XZQFMHDAYDDUGM-UHFFFAOYSA-N;123.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15739;MM15739;N#CC(C#CC=O)CF;WYLAIRHFHXIYQX-UHFFFAOYSA-N;125.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15544;MM15544;N#CC#CC(C#N)CF;BOQJEYXCZIBDSE-UHFFFAOYSA-N;122.1;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55455;MM55455;C=CC(C#CC=O)OC;XBDQVRBBUNRGRK-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55456;MM55456;C=CC#CC(C#N)OC;CRPHBASRUJRJDP-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55457;MM55457;COC(C#CC=O)C=O;VOOWJEFAMZHQNZ-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55458;MM55458;COC(C#N)C#CC=O;AKCMSKFRQLVPFR-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55459;MM55459;C#CC#CC(C=O)CO;ZEHZPQXESSZWMT-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55460;MM55460;C#CC#CC(C#N)CO;OUXAWEWPDPIPEL-UHFFFAOYSA-N;119.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55461;MM55461;C#CCN(O)C(=N)N(C)N;GWCOJVHEIPMULB-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55462;MM55462;C#CC#CC(C#N)OC;SGWQCQZCDWUJJO-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55463;MM55463;C#CC(C#CCF)CO;AJCXMMQHNRVJCH-UHFFFAOYSA-N;126.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55464;MM55464;CC(CF)C(O)CN(C)C;GRAOQSQUKGPVPN-UHFFFAOYSA-N;149.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55465;MM55465;C=C(N=C(C)NC=N)OC;XTXJXXSJCPJXHR-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55466;MM55466;C#CC(C#CCO)OC;ORWHTTKQQPPRJD-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55467;MM55467;C#CC(C#CC=O)CO;NJXVVPRHANKANS-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55468;MM55468;C#CC(C#CC#N)CO;IETVDECYVZHSRS-UHFFFAOYSA-N;119.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55469;MM55469;CC#CC=NN=CC(=N)N;MGSHRCOURYNXEU-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55470;MM55470;C#CCC#CC(=N)NC=N;RNWPYSRALQPKMZ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55471;MM55471;C=CC(C)N=CN(C)NC;IYNNEFPNLNEKHS-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55472;MM55472;C#CC(C#CC=O)OC;MGFPPGPOCGEJRA-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55473;MM55473;CCC(OC)ON(C)C=N;FUBQZVNIJIOWNH-UHFFFAOYSA-N;146.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55474;MM55474;C#CC(N=CN(C)C)=NC;HGWWFPKXSRTVEB-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55475;MM55475;C=CC(C#CCO)C=O;GIPPFENMJXODNX-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55476;MM55476;O=CC(C#CCO)C=O;TZULXPPNPDCCDB-UHFFFAOYSA-N;126.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55477;MM55477;N#CC(C#N)C#CCO;LKPLIPAUGVYYFM-UHFFFAOYSA-N;120.11;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16041;MM16041;O=CC(C#CCF)C=O;ULSPTYIOJGKDDO-UHFFFAOYSA-N;128.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15654;MM15654;N#CC(C#CCF)C=O;SSGNYRLLWSJSQH-UHFFFAOYSA-N;125.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15530;MM15530;N#CC(C#N)C#CCF;XSEJUNWSFIVXGT-UHFFFAOYSA-N;122.1;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55478;MM55478;C=CC(C#CC#N)C=O;PKVAGTIRRUPORV-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02011;MM02011;C=CC(C#N)C#CC#N;KQBGONXLMSAYQJ-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01940;MM01940;C=CC#CC(C#N)C#N;LKHJCIQMMWYVBU-UHFFFAOYSA-N;116.12;0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16573;MM16573;N#CC#CC(C=O)C=O;FNDZWPGWAKOTIB-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15722;MM15722;N#CC(C#CC=O)C=O;URLYJPZOBSBFAC-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15655;MM15655;N#CC#CC(C#N)C=O;KXUYDFUGCBZQNE-UHFFFAOYSA-N;118.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15519;MM15519;N#CC(C#N)C#CC=O;GERULYBYWSXMEP-UHFFFAOYSA-N;118.1;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01938;MM01938;C#CC#CC(C#N)C#N;NFCDPXFKTNIIQU-UHFFFAOYSA-N;114.11;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55479;MM55479;C#CC(C#CCO)C=O;FUQZZUCLVGHUOI-UHFFFAOYSA-N;122.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55480;MM55480;C#CC(C#CC#N)C=C;WDVRZFCOIPRADW-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55481;MM55481;C#CC(C#CC=O)C=O;AZGMSFHHAKBSPA-UHFFFAOYSA-N;120.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01936;MM01936;C#CC(C#N)C#CC#N;KBOCMNJXJGXJHU-UHFFFAOYSA-N;114.11;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55482;MM55482;CCC(N)CN=CNOC;FSPPNPMBUZTEAY-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55483;MM55483;C=CNC=NCC(=O)OC;KJDMFJSBDNLBSC-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55484;MM55484;CCC(C#CCO)=CF;IJBABKODIMXNMM-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55485;MM55485;C#CC(N)C(=CF)COC;IJYGZWAQDSBZTM-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55486;MM55486;C#CC(N)C(=COC)CF;SLHJFCYREXZCEH-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55487;MM55487;CC(C)C(O)CN(C)C;CGVDIJPAUMTOMB-UHFFFAOYSA-N;131.22;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55488;MM55488;CC(C)=NOC(=NN)NN;DFYORRHGDGUJJV-UHFFFAOYSA-N;145.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55489;MM55489;C#CCN(N)C(=N)N(C)O;ODXFWPMUJDSPKT-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55490;MM55490;OCC(C#CCF)=NO;JBZFCQOGRYCTPM-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55491;MM55491;C=CC(F)=C(CN)OC=O;AGQUMLWETWWPCK-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55492;MM55492;CC(F)CC(O)CN(C)C;DYFUZCPIDGCIKX-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55493;MM55493;CCC=NOC(=NN)NN;QTVNQPHKWLMSMM-UHFFFAOYSA-N;145.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55494;MM55494;CC#CCN(N)C(=N)NO;LCJBINLUVVAPIT-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55495;MM55495;C#CC(F)=C(C=O)CNC;XXSWRJUBDMKCFS-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55496;MM55496;CC(C(=O)C#N)N(C)C;QQPDLDGPIRFZGS-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55497;MM55497;C=NOC(=NN(C)C)NN;WJKGTFJKRWBNBN-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55498;MM55498;COCCC(O)CN(C)C;FGLFPLSPGOVURN-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55499;MM55499;C=NNC(C)C#CCC;JYGURHSGWKITHA-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55500;MM55500;C#CC(=O)NC(=N)C(C)C;JIUZXACWXGCDMY-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55501;MM55501;C#CCC=CNC=NO;QWHPSVPTCKPEOI-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55502;MM55502;CCC#CC(=NO)NO;NHAPMTSDMMMQDW-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55503;MM55503;ON=C(C#CCF)NO;MNROOGWQXOLTNL-UHFFFAOYSA-N;132.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55504;MM55504;C=NN=CC(C#N)NC=N;MROUEYATCUUBEQ-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55505;MM55505;COC(C#CCO)=CF;YVVGGPDKDOYNIL-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55506;MM55506;C=NNC(=N)N(C=O)N=C;NWFXEHBWTBMICX-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55507;MM55507;COC(C#CCO)=NO;HXQPBICCGFSJRC-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55508;MM55508;COC(C#CCF)=NO;ZEMFIRKASWKSIT-UHFFFAOYSA-N;131.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55509;MM55509;C#CC(=N)N(NC)C(C)C;AGPCEEQFYIXCLB-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55510;MM55510;CC=C(C#CC#N)CO;DMYZCGQYPOELJA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55511;MM55511;O=CC#CC(=CF)CO;OWJJVUUBSLDOGR-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55512;MM55512;CCC(C#CC#N)=NO;WKRBWYWFJUPUPG-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55513;MM55513;N#CC#CC(CO)=NO;FDDRASJHBHLUFX-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55514;MM55514;O=CC#CC(CF)=NO;UUXPQBJVUGDSLH-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55515;MM55515;CN=C(C#CC=O)N(C)C;XXDZATFURRKVJF-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55516;MM55516;C=NN=CCN(C=N)C=N;LXFAARRPPFJVSH-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55517;MM55517;CN=C(C#N)N(O)C=N;LBRUVZZKUYGCLO-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55518;MM55518;C#CC(C)N(O)C(=N)OC;BJSODINENFRIKM-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55519;MM55519;CN(C)CC(O)CCCO;IWODZRCVHAWUES-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55520;MM55520;C=CC#CC(=NO)NO;TXFUBAMUZXNGRX-UHFFFAOYSA-N;126.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55521;MM55521;O=CC#CC(=NO)NO;LNZDCIVROAYYRL-UHFFFAOYSA-N;128.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55522;MM55522;CN(C)CC(O)CCC#N;RURBRVPHAHXYMP-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55523;MM55523;C=CC#CC(=NO)OC;XCZJNZKTRMYHQO-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55524;MM55524;COC(C#CC#N)=NO;FXBJMAQXQYKJEM-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55525;MM55525;C#CC(OC)C(=N)NC=N;FUNXQRRIRQRVRY-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55526;MM55526;C=NN=C(C(C)O)N(C)C;LUUFSNBUECHCAX-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55527;MM55527;C#CC#CC(CO)=NO;GIUXSJHMBBBMQR-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55528;MM55528;C#CC(=NC)NN;DKZZIHMJPJNDQS-UHFFFAOYSA-N;97.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55529;MM55529;CNC(=N)OC(=N)N;FJBRHAVATZPXMC-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55530;MM55530;C=CCN=C(CO)NN=C;MXHWGTHQAUUHIL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55531;MM55531;CCC(O)CN(C)C;ZABFSYBSTIHNAE-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55532;MM55532;C#CC#CC(=NO)NO;RSYCDIGMIAWEEZ-UHFFFAOYSA-N;124.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55533;MM55533;COCC(N)C(C)F;PVEUXRYLUSRVIW-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55534;MM55534;N#CC(C#CCO)=CN;ZODNELVJTDMEHJ-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55535;MM55535;NC=C(C#CCF)C=O;UICICWOUARHMNY-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55536;MM55536;C=CC(C#CC)NC;IXGAPENLAQBOTB-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55537;MM55537;N#CC(C#CCO)=CF;ZMZQHZYCCCFUPQ-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55538;MM55538;CC(C)=CC(=N)N(C)O;WMAIQHPWECKKPP-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55539;MM55539;C=CC(NN=CC)C(C)O;AWDIMFDTNMEWIA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55540;MM55540;N#CC(C#CCF)=NO;PFWOCMYAUMRXCJ-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55541;MM55541;C=CC(C#CC#N)=CC;VUCIHWGMDCAVIT-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55542;MM55542;C=CC(C#CC#N)=CF;CTOVXHXIFJGTKS-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55543;MM55543;CC=C(C#CC=O)C=O;VFVUMVCFGIBRMU-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55544;MM55544;CC=C(C#N)C#CC=O;JNMDHQZHCPSIFM-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55545;MM55545;CC=C(C#N)C#CC#N;BODFJZQHGJYVIW-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55546;MM55546;COC=NN=CCN;HWRAGHIRMUUQLL-UHFFFAOYSA-N;115.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55547;MM55547;NC=C(C#CC=O)C=O;DIMBJMUVHOGXBJ-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55548;MM55548;C#CC=C(C)N=CNN;UVTGXXHOAYQPJZ-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55549;MM55549;N#CC#CC(C=O)=CN;ZDXLXOPNOYKHEW-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55550;MM55550;CCNCC(=O)N(C)N;JEEYBQJPOOEGMR-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55551;MM55551;C=CC(C#CC=O)=NO;MMELMBNBKBWOTB-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55552;MM55552;C=CC(C#CC#N)=NO;QDJUZDRDBPWXRY-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55553;MM55553;C=CC#CC(C#N)=NO;VZABJBLSYOVBTJ-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55554;MM55554;N#CC#CC(C=O)=NO;ISEPYROPGPBQOU-UHFFFAOYSA-N;122.08;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55555;MM55555;N#CC#CC(C#N)=NO;ZKTFNPYFCJBAMF-UHFFFAOYSA-N;119.08;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55556;MM55556;C#CC#CC(C=O)=CN;IHBRZAANTBLZIJ-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16536;MM16536;C#CC#CC(C#N)=NO;FQSAYBUWVWMOIR-UHFFFAOYSA-N;118.1;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55557;MM55557;C#CCC=CC(=N)N(C)O;QZNZWDFSJFIPIK-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55558;MM55558;C=C(C)C(N)C#CCF;XUQKKRQSUUUJDT-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55559;MM55559;C=NN(C)C=NC(C)CO;FQBAVGCJQFBBDE-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55560;MM55560;C#CC(C#CCO)=NO;JARZPMRVODNOHN-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55561;MM55561;C#CC(C#CCF)=NO;XKXDXVBSWGIQSI-UHFFFAOYSA-N;125.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55562;MM55562;C=CC#CCN(N)C=N;QOKVWSMIVNPKFM-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55563;MM55563;C#CC(C#CC=C)=NO;ASDBMHAGJVPUJO-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55564;MM55564;C#CC(C#CC=O)=NO;YCRNDAUNOLHIMA-UHFFFAOYSA-N;121.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55565;MM55565;COC(C)=NN=CCN;KUFNNFHRHXQDEM-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15472;MM15472;C#CC#CC(C#C)=NO;QWLBRLHHVQIOQU-UHFFFAOYSA-N;117.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55566;MM55566;CC#CC(=N)N(C)C=N;FVFGGQZABNVNTI-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55567;MM55567;CN(O)C(C=CF)=NN;ABVFOHQDOPHKRG-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55568;MM55568;CCN=C(CF)NC=N;GIZDQKCBSHZQAL-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55569;MM55569;C#CC(N)C(C#C)C#C;NRNLVKOPCSCHPG-UHFFFAOYSA-N;117.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55570;MM55570;C=NOCC(=NC)NC;GPLBMDMPWOWRAE-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55571;MM55571;CCC(C=NNC)CO;NPNJNWGMIMDWHP-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55572;MM55572;OCCC=C(CO)CF;UZJSMZPFHRHGND-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55573;MM55573;C=COC=NN=CCN;MUSUMPIUJQBRHQ-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55574;MM55574;CNN=CCC(=N)NO;GCYPCYRQEOERIR-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55575;MM55575;C=NOC=NN=CCN;DPILKWSXRCTDFI-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55576;MM55576;COCC=C(CO)CO;WVEKMTSXCIQXKH-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55577;MM55577;CNCC(C)(F)C=NNC;VWSFXKJQFFEQKA-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55578;MM55578;COC(=CCCF)CO;RQYFWMMIMYZAFE-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55579;MM55579;COCC=C(CO)OC;GBLNGBLHMAJKAJ-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55580;MM55580;CCOC=C(CO)CO;LADXLTORRUNNCG-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55581;MM55581;C#CC(=C)CN=CN(C)N;ZLMUPFSEZATOQN-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55582;MM55582;CCOC=C(CO)OC;WWCICDORZLZGNA-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55583;MM55583;N=CNN=CCC(=N)NO;NVVYKIVNKHNYDH-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55584;MM55584;NCC(=CF)CO;RKZWAEJDSZHKKR-UHFFFAOYSA-N;105.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55585;MM55585;CNC(=N)C=NOC(=N)N;JJEYURSTNVTULM-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55586;MM55586;C=CC(C)(OC)C(N)CO;QXFNZEMUKOEIPP-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55587;MM55587;C=CC(CO)NC;AMGFPPWDVKVTBB-UHFFFAOYSA-N;101.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55588;MM55588;CCC=NNCCO;JEIGEXHHEAISCX-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55589;MM55589;COCCC(CO)N(C)C;BZURIYIGNDIDPB-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55590;MM55590;C=CC=NNCCO;HRTINYBPEZPUIV-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55591;MM55591;C=C(C#CC(C)(C)N)CO;FTFPRXRWYJYYCS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55592;MM55592;C=CCNCCO;JRMGZDWJZHJQCY-UHFFFAOYSA-N;101.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55593;MM55593;C=C(CNC)OC(=O)C#N;JDYVGGFUUVRNEY-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55594;MM55594;NN=CCN=CC=CNO;QCELFSBEJHTYSL-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55595;MM55595;CNC(C=COC)CCO;WVROFHMGJYHSIO-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55596;MM55596;C#CC(=O)OC(=C)CNC;YHUODYCWOQKBQT-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55597;MM55597;C=CC(C)=NNCCCO;WEGSZMGCIOYTBZ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55598;MM55598;CCC(C)C(NC)C(N)=O;CAAAQGIZHMERNZ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55599;MM55599;CC=NNC(=N)C(C)C#N;WZMZAJOUIYPRMD-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55600;MM55600;C=CNC(=NC=O)NC;HGKUWESLKKHNQM-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55601;MM55601;N=CNC(=N)N(C=N)C=N;BWQVQDZYSULQCE-UHFFFAOYSA-N;140.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55602;MM55602;CCOC(C)=NN=CCN;UTBXOGGWQDXRSS-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55603;MM55603;CC=NOC(=NNC)NN;FRKLHYJXDABKNR-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55604;MM55604;CC(CNCC#N)N(C)C;DCQDSGCQESWOLN-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55605;MM55605;C=NOC(=NNC)N(C)C;SPPPJORIJMDKRG-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55606;MM55606;CCON=C(CO)OC;HFZPIXZGSFROCU-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55607;MM55607;CCNC(=CC=O)CNC;MDQUMZZZWQXUCY-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55608;MM55608;C#CC=NOC(=NN)NN;MGDDZFVAIYVKRA-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55609;MM55609;C#CC=NOC(=NN)NC;GPFRXMJSFBMLSB-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55610;MM55610;C#CC(=NN)N(C=C)OC;OAVJBQDZCSVAEU-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55611;MM55611;C#CC(=NN)N(C)OCC;HQQWADQVCWXTPU-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55612;MM55612;C#CC(C#N)NC;MYEALUYXLDQRBN-UHFFFAOYSA-N;94.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55613;MM55613;CNCC(=CCF)OC=O;ITUSURVXLLLYFE-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55614;MM55614;N#CCNC=NC(=N)C=O;NRAPOTHVUHBRRF-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55615;MM55615;CCN(OC=O)C(C)=NN;LMDBDEGMASVFIX-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55616;MM55616;C#CC(C)(CCC#N)NC;FDVKFNXROVPCSF-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55617;MM55617;C#CC(=CC(N)C#C)OC;VWWJPEOUBOPBOW-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55618;MM55618;N#CCC=C(CO)CO;LPLWZZRJFJHUCS-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55619;MM55619;N#CCC=C(CO)CF;WLWQSGYGBUKJIH-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55620;MM55620;COC(=CCC=O)CO;FBFTYDBBGAQGIA-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55621;MM55621;COC(=CCC#N)CO;OMYRHVPJXCAMEL-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55622;MM55622;CN=C(NCC(C)N)OC;JURGDGOPHTVPAJ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55623;MM55623;N=CN(N)CC#CC=CF;WIKJIJNZUOULBN-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55624;MM55624;CCC(=CNC=O)OC;IIFNQCBETAFEMU-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55625;MM55625;CC(C#N)N(C=N)CCF;AMXUYZHBCJZTNG-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55626;MM55626;NCC#CC(=CF)OC=O;CCNQWDSUXDBVJZ-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55627;MM55627;C=COC=C(CO)CO;HIKFMKVJIFICFU-UHFFFAOYSA-N;130.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55628;MM55628;C#CC(C#CCN)=NNC;WSCRXTZGIQSVPW-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55629;MM55629;C=COC=C(CO)OC;QHRXARGMTNXPPR-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55630;MM55630;COC(=COC=O)CO;DUNCVLULATVGRH-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55631;MM55631;COC(=NN=CCN)OC;MVGLSOOPXSKXHF-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55632;MM55632;C#CC(F)=CC(=N)NN=C;OFGOJCZHLJHWHJ-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55633;MM55633;C#CC(=NN=CCN)OC;HTOVTDXPUBSYIN-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55634;MM55634;C=NNCC(C)C(C)=O;SQBTUXFCPPJINP-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55635;MM55635;CON=CNNC=CC#N;YFRNZKACIUWKHV-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55636;MM55636;CC=CC(=O)C(=O)C(=N)N;PBGFZKVPXQOPHH-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55637;MM55637;C#CCC(=NO)N(C)C;SPAPBFFKYWQSNI-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55638;MM55638;COCOC=NN=CCN;QZAIFGLOGBHXJJ-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55639;MM55639;N#CCOCCNC=NO;FHOVAUXOQUSRMZ-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55640;MM55640;CCCNC(=N)OCC=O;ZGRIGXAIXFIATD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55641;MM55641;C=C(CC#N)CNC=NO;UPBABHFESATDDK-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55642;MM55642;CCC(CO)=NNC=O;BWWIULZRHGWNGD-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55643;MM55643;C#CC(CC=O)NC=NC;KETFMNSYBKYRHQ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55644;MM55644;O=CNN=C(CO)CF;IRLIQWFKYRRVMN-UHFFFAOYSA-N;134.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55645;MM55645;CN(C)C=NNCCC#N;DGRBWYHIQDYMAK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55646;MM55646;O=CNN=C(CF)CF;KELRPFQUALCLFI-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55647;MM55647;CCC(=NNC=O)OC;ZNELANIHQYBALW-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55648;MM55648;C#CC(O)C(=NOC)NC;LBKMHWHLAQTINJ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55649;MM55649;COC(CF)=NNC=O;HHBQHIGJAIKYAG-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55650;MM55650;C=C(C)C(O)CC=NNC;ZBAOIXILBNIRMF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55651;MM55651;CNC(=NNC=O)NO;JOYXCGMNLKWNFP-UHFFFAOYSA-N;132.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55652;MM55652;CC(C)N(O)C=NC=NN;WLLSIIXOJFOUMS-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55653;MM55653;C#CCCNN=CN(C)C;DTAXYZMIMFHMMU-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55654;MM55654;CCCNN=CN(C)C;PILWFNDWLKHHOS-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55655;MM55655;C=CCC(=N)NC=NN;AXYZXRPKULGTSA-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55656;MM55656;COC(=NNC=O)OC;DFXXTLJYCHJDMN-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55657;MM55657;N#CC#CCCONC=N;QTHCGPBNBGHPSS-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55658;MM55658;O=CON=C(CO)CO;VGIIVNJNVHBSNT-UHFFFAOYSA-N;133.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55659;MM55659;COC(CO)=NOC=O;QMRRLMDSTXBLTE-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55660;MM55660;C#CCOC=NN=CCN;NMXXNBPZKDNOFW-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55661;MM55661;C=C(C(C)=O)C(C)NC;AXNGIMODEUKHIK-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55662;MM55662;CCOC(C#N)=CNC=N;TYWOZSLZGSWHLA-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55663;MM55663;N=CNN=CCN(N)C=N;PXFFNHJEGFLDCF-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55664;MM55664;CNCC=C(OC)C(C)=O;ZSIUKNDUYVQLRH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55665;MM55665;CC=NOC=NN=CCN;FUSFIKVWCKTICH-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55666;MM55666;C#CC(C)(NN=C)C(=N)N;CJLDUERLUOCNEQ-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55667;MM55667;C#CCN(N)C=N;HUHCVAOUFMEMEG-UHFFFAOYSA-N;97.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55668;MM55668;CNCC=NOC;CYWMELLPSRFFON-UHFFFAOYSA-N;102.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55669;MM55669;CC=C(CO)CC=NN;DALVAKRNZHQEDH-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55670;MM55670;CC#CC(C)(F)CN;FLZGEPYQHNYJPC-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55671;MM55671;COCC(=N)NOC;HBEWCOHJDUNUIC-UHFFFAOYSA-N;118.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55672;MM55672;C=CC(C)=NNCC(C)O;MXYIEJPWTPMCKQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55673;MM55673;C=C(CNC)OC=O;VMJPMIWRJFXHNX-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55674;MM55674;CCNN=CC(C)CO;FIZFZIOKZDPPLJ-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55675;MM55675;CC(C)(C#N)N=CNC=N;HYZMZRVDNGZDRN-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55676;MM55676;O=CC(=CCCF)CO;FBRWLTGTBDQJHZ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55677;MM55677;C=C(F)C(N)C(C)C;WFPZFWDKCUEREJ-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55678;MM55678;C#CC(F)(CC)CN;ACSDGSYPNNZLPB-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55679;MM55679;CC#CCN(N)C=N;WZGSYSQXSSHPMI-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55680;MM55680;CCNN=CCN(N)C=N;BBPNRHGNVMZRJL-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55681;MM55681;COC(C=O)=CCCO;YFZAZZQCYAKTGV-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55682;MM55682;C#CCC(CF)NC;SNAVTNYNSCSEDD-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55683;MM55683;COCC=C(C=O)OC;YAKWBLZYHAZMOH-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55684;MM55684;COCC=C(C#N)OC;OSZFCYQUHSJAIK-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55685;MM55685;CCNC=C(C=O)OC;FDFPVVIGGZDUET-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55686;MM55686;CCON=CCNC;RNPKYBNMCPXEJS-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55687;MM55687;CCOC=C(C=O)CO;XZCUBVUBPAHPFJ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55688;MM55688;CCOC=C(C#N)CO;QECGXGSGFVBRTA-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55689;MM55689;CNCC=NOC=O;GZUIAPUSZSPOIG-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55690;MM55690;CCNN=C(C#N)CO;YRMFOYIOPSWGAL-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55691;MM55691;C=C(CNC)OC(C)=O;SHFJUWVLEOCUEE-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55692;MM55692;CC(C#N)CONC=N;AJWDCFPKXQIEDZ-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55693;MM55693;CCC(C#N)CONC=N;UETOACPUBNUXAX-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55694;MM55694;COC(CN)COC=NO;NIBGVGCHXUDSRB-UHFFFAOYSA-N;148.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55695;MM55695;C#CC(N)C(C)(N)C#C;RVWZCPSGDGYOID-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55696;MM55696;CC(O)CC=NN;MMZRIBOTGWCNJK-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55697;MM55697;CCON=C(C#N)CO;XYYPSCIJGGAJHY-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55698;MM55698;CC(=O)OC(=CF)CN;ATKZOAKPLAUFMR-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55699;MM55699;C=NN=CONC(C)=N;FTKXTTVWAOUUIA-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55700;MM55700;CCC(C#N)=CCC#N;GZRANNGIWQKIBF-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55701;MM55701;C=CC(=CCC#N)CO;MVCDEKDKANTVTD-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55702;MM55702;O=CCC=C(C=O)CO;NKSZYSSRVBTEES-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55703;MM55703;N#CCC=C(C=O)CO;GPDVCZOINXTVRH-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55704;MM55704;N#CCC=C(C#N)CO;QROXJXCBHIPRGA-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55705;MM55705;C=CCC=C(C#N)CF;IKNRUMKHGZPBJK-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55706;MM55706;N#CCC=C(C#N)CF;XJNQGTSMJIYQMN-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55707;MM55707;COC(C=O)=CCC=O;KEVDPGODAZZHAL-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55708;MM55708;COC(C=O)=CCC#N;AEBVEZFBPSIXLL-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55709;MM55709;COC(C#N)=CCC#N;ZWOKYUGSTDXLPQ-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55710;MM55710;C=CC=NN=CC(=N)N;AWOKTENQQUQQEM-UHFFFAOYSA-N;124.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55711;MM55711;O=CNC=C(C=O)CO;GLPULWQEZQINJH-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55712;MM55712;N#CC(=CNC=O)CO;ADXGGWJEBFKCJA-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55713;MM55713;N#CC(=CNC=O)CF;VIEQWSCYEHQYSR-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55714;MM55714;C=CC(CN)OC(C)=NO;PDDXTTFZMNKEBV-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55715;MM55715;CNN=CCC(C)O;UWSXVVXPVRUIOH-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55716;MM55716;CN(CC#N)CCNC=O;XDCXDOIAOKGQDZ-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55717;MM55717;N=C(N)C=NN=CC=O;HTSKVXBWMDKRKM-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55718;MM55718;CCCNN(C)C(=O)NC;ADYORVDYNHWAIJ-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55719;MM55719;COC(C#N)=CNC=O;DJEHLQSBXYTTDK-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55720;MM55720;C=CC(CCCO)=NNC;JRROBCLSSFUUOL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55721;MM55721;CCCCNN(C)C(N)=O;GXHMQUWUZRZYLP-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55722;MM55722;CCC#CCN(N)C=N;QBMXLSZTYQRSMW-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55723;MM55723;C=CC(=COC=O)CO;FMQJCNYGCFPLSE-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55724;MM55724;C=COC=C(C#N)CO;YHPNRICUXCPFEK-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55725;MM55725;C=COC=C(C#N)OC;SXYAIWWNINGJOY-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55726;MM55726;COC(C=O)=COC=O;WELTYUHYQQGTTB-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55727;MM55727;COC(C#N)=COC=O;WYIOBEABMCDQQE-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55728;MM55728;CC(=CCO)CC=NN;BFJFDGWUXPOPEX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55729;MM55729;CCC=NNC(=N)CC#N;WRJRPECGRFCUHA-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55730;MM55730;CC=NNC(=N)CC#N;VAGIGSHAGIWYSA-UHFFFAOYSA-N;124.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55731;MM55731;CCC(C=O)=NNC=O;VDUDKCGZNJSAHM-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55732;MM55732;CCC(C#N)=NNC=O;KHUHSSJJTYJHDY-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55733;MM55733;C=NNC(CC)=NNCC;AISSGACRPBUSJK-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55734;MM55734;C=CC(CO)=NNC=O;NQBNHXKLTKWERQ-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55735;MM55735;C=NN=C(C)N(C)C=NN;PNZSOAHNOVDLNO-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55736;MM55736;CNC(=NC(=N)C=O)OC;ZEJQWNFVVHLKML-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55737;MM55737;C#CC(C#CC=NO)CN;SETNNGKOCVYWJG-UHFFFAOYSA-N;136.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55738;MM55738;C#CC(C)(C=CC)NN=C;DHDFCNINUKJPEB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55739;MM55739;O=CNN=C(C=O)CF;CREWAVXIPSXXAZ-UHFFFAOYSA-N;132.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55740;MM55740;N#CC(CF)=NNC=O;AHLJFQSFTPQJCK-UHFFFAOYSA-N;129.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55741;MM55741;NNC(=NNC=O)NC=O;YCKLLCCZANLCNL-UHFFFAOYSA-N;145.12;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55742;MM55742;C=CC(=NNC=O)OC;SHNCTZDMNUSKKQ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55743;MM55743;C#CC(=O)NC(=N)N(C)C;PWQHZHQMHLEIMI-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55744;MM55744;COC(C=O)=NNC=O;LFUORGREOLYMMW-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55745;MM55745;COC(C#N)=NNC=O;WLLNCSSRFTWWIX-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55746;MM55746;N#CCC=CNC=NO;IKFRCFALDJMWQW-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55747;MM55747;O=CON=C(C=O)CO;UXQOSAMRTYKRNH-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55748;MM55748;N#CC(CO)=NOC=O;BQMYBTGAMKGOGW-UHFFFAOYSA-N;128.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55749;MM55749;CC(=NC=N)N(C)C=N;FKTBKZMHHYTOJC-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55750;MM55750;COC(C=O)=NOC=O;YMBGTFPBZBSDSM-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55751;MM55751;CC(F)=C(CN)OC=O;PARPNHVGLMOXQA-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55752;MM55752;CCN=C(C#N)N(O)C=N;XQJDUYJCSDAEKS-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55753;MM55753;C#CC(=CCOC)CO;BXANIUUDGLCLDX-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55754;MM55754;C#CC(N)C(CC)OC;PMNJJCQVRBWKPS-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55755;MM55755;C#CC(=CCCO)OC;VOJYJINTTBPBDB-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55756;MM55756;CCN(C=N)OCCF;LBEJEUGOEGEDAB-UHFFFAOYSA-N;134.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55757;MM55757;C#CC(=COCC)CO;YZLQQLIYQRWWMI-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55758;MM55758;C#CCON=CCNC;LUIKEWRJFWSSJZ-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55759;MM55759;C=NN=C(CO)N(C)C;MIPMRUZTVMYGDA-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55760;MM55760;CN(C=O)CC(C)(F)CN;IDEYUVNCOZGXIW-UHFFFAOYSA-N;148.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55761;MM55761;C=C(C)C=C(F)C#CCN;XNEFUUQTOSRWBG-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55762;MM55762;C=CCNCC(C)C=NO;KLNKCPDJWTUAEF-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55763;MM55763;COCC(C)N=CN(C)N;OGJILNKPOHQHFQ-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55764;MM55764;C#CC(=CCC#N)CO;KCZQCMGCCAXZPU-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55765;MM55765;C#CC(=CCC#N)OC;SQXFHSLAWTUXFB-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55766;MM55766;CC(C)=CC#CC(=N)NN;WPKNEJLVIRSBTI-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55767;MM55767;C#CC(N)CN(C)CC=C;NXVOFDUVTQGUMR-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55768;MM55768;C#CC(=CNC=O)OC;UIPHMHPZPPDJCT-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55769;MM55769;C#CC(=COC=C)CO;LPDJUGVUPWSTGL-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55770;MM55770;C#CC(=COC=O)OC;YYZCFNDWVBBKSH-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55771;MM55771;C#CC(CO)=NNC=O;WEYHALXWTWYVQH-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55772;MM55772;CNCC(C=NO)=C(C)C;FDJJURWWJLSLNA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55773;MM55773;C#CC(CF)=NNC=O;MNDLTVZXPLJIFH-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55774;MM55774;CN=CN(O)C=NOC;MHWDVJNKPHIBMR-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55775;MM55775;C#CC(=NNC=O)OC;ULXLLLYDLUVYLQ-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55776;MM55776;C=C(C)CON=CCNC;VEIGWWKIHKFVKJ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55777;MM55777;C#CC(=CC(N)CF)CF;MIRLDEVXDJQINL-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55778;MM55778;COCC=C(C#N)C=O;KRAFCDLFTAEXEO-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55779;MM55779;COCC=C(C#N)C#N;JEGPRCRCERLKJU-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55780;MM55780;C=CC(C=O)=CNCC;UJPNYEBRCXFVNS-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55781;MM55781;CCNC=C(C#N)C=O;YPPMGEWETJELKX-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55782;MM55782;CCNC=C(C#N)C#N;KOFKSNVLVWXUHI-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55783;MM55783;CCOC=C(C#N)C#N;OEICGMPRFOJHKO-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55784;MM55784;CC(O)C(C)C=NN(C)C;FVTAIXMHZAGULJ-UHFFFAOYSA-N;144.22;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55785;MM55785;CCNN=C(C#N)C#N;SPDPTMQELOTKAS-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55786;MM55786;C#CC=CC(N)CON=C;TWUXAKVWCHSBQK-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55787;MM55787;CCON=C(C#N)C#N;JSHSRYJYYUXPMG-UHFFFAOYSA-N;123.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55788;MM55788;C=CC(C=C)=CCC=O;ASSZZYNSPHLVOG-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55789;MM55789;C=CC(C#N)=CCC=O;ANVXEWVKLFDLFU-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55790;MM55790;C=CC(C=O)=CCC#N;WXXQRKJRHAOZAZ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55791;MM55791;N#CCC=C(C=O)C=O;DBVVKZBNGIRGIQ-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55792;MM55792;N#CCC=C(C#N)C=O;DSPYIYNJPRGOEJ-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15713;MM15713;N#CC(C#N)=CCC=O;LRLBHYXIKXNZJF-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55793;MM55793;N#CCC=C(C#N)C#N;XQORBVZRJOVTEK-UHFFFAOYSA-N;117.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55794;MM55794;C=CC(C=C)=CNC=O;NGRKRBVMFBSGJR-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55795;MM55795;CC(CC(C)CO)=NN;AYCBSINVSVZDAH-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55796;MM55796;C=CC(C#N)=CNC=O;ZOKOGHRGQNDQQD-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55797;MM55797;CC(C=NN)=CCO;BMAXMMSGOHCDOD-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55798;MM55798;O=CNC=C(C=O)C=O;WDKWDFKENRYKFW-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55799;MM55799;N#CC(C#N)=CNC=O;BIQZPTYLMBDKSC-UHFFFAOYSA-N;121.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55800;MM55800;CC=C(C=NO)CNC;ZWHXGTMDKBCQTD-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55801;MM55801;CC(C)=NNCCC(C)O;ZUWYJBGWZWIMNJ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55802;MM55802;C=COC=C(C=O)C=O;FYFGUSMURPDWLE-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55803;MM55803;O=COC=C(C=O)C=O;SHPUUGHWROQARP-UHFFFAOYSA-N;128.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55804;MM55804;N#CC(C=O)=COC=O;RRZGIXTUOPADIA-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55805;MM55805;N#CC(C#N)=COC=O;CWXWYBXUVLVIJF-UHFFFAOYSA-N;122.08;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55806;MM55806;CC=NNCC=CCO;LPRPOTKQPPFALV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55807;MM55807;CCNN=CCCO;YBJOAVLDVOPMDZ-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55808;MM55808;C=CC(C=O)=NNC=O;QMNVZZVQGYBPHY-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55809;MM55809;C=CC(C#N)=NNC=O;RJCNONZCRRYBRF-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55810;MM55810;CCCNN(C)C(N)=O;NEKRRDWLHIOPFR-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55811;MM55811;C=NNC(C)C(C)C=O;QYOHBQDZENJGKW-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55812;MM55812;O=CNN=C(C=O)C=O;OALBTURDPWIJBF-UHFFFAOYSA-N;128.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55813;MM55813;N#CC(C#N)=NNC=O;FIYGMESIYZCGIO-UHFFFAOYSA-N;122.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55814;MM55814;CNC(=N)C(F)=CCC#N;FJUBEWDDGYNRNN-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55815;MM55815;O=CON=C(C=O)C=O;TYOJJMHZPLCSEM-UHFFFAOYSA-N;129.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55816;MM55816;N#CC(C#N)=NOC=O;WIJIDVBOUHRNJJ-UHFFFAOYSA-N;123.07;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55817;MM55817;C#CCC=C(C#N)C=O;UHQSPWFUNKZNFM-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55818;MM55818;C#CCC=C(C#N)C#N;TWZAUUXMWAYWDV-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55819;MM55819;CNCC=NOC(C)OC;CGNUZGBHJYLKHA-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55820;MM55820;C#CC(C#N)=CCOC;WLOZVHVTEGQIEI-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55821;MM55821;C=C(C=NO)CNC;ZXHNHNBEUKARQH-UHFFFAOYSA-N;114.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55822;MM55822;CNCC=NOC(C)C#N;WTTFMWJXDNCZHK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55823;MM55823;C#CC(C)ON=CCNC;NVWGYNRUWRYIDX-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55824;MM55824;C#CC(C=O)=CCC#N;RTPMXPBIDCLDED-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55825;MM55825;C#CC(C#N)=CCC#N;BLRRTDAMMVJUCA-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55826;MM55826;CNNC(=O)NC=CCN;HNZJTMLQDGNJKX-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55827;MM55827;C=CCC(O)(C#CC)CN;SUOROAJTRBYZPW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55828;MM55828;C#CC(C=O)=CNC=O;NVURCZWWLQISDD-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55829;MM55829;C#CC(C#N)=CNC=O;YAJAXRSRSUCJQG-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55830;MM55830;C#CCC(N)C(C)(O)C#C;VMYYFIGKWNRZNV-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55831;MM55831;C#CC(C=O)=COC=O;LKCIFQSMUIKLFD-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55832;MM55832;C#CC(C#N)=COC=O;DMFKGYGONYPXEY-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55833;MM55833;C#CC=C(CN)C(O)C#C;OXSQKSRWWLZQTE-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55834;MM55834;C#CC(C=C)=NNC=O;BJQXDXXIPUGSRM-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55835;MM55835;C=NN=CN(N)C=NNC;LIFMGELJIRGKDD-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55836;MM55836;C#CC(C=O)=NNC=O;RYTSBNJMHWUJSL-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55837;MM55837;C#CC(C#N)=NNC=O;BROMGTVFWSPNNS-UHFFFAOYSA-N;121.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55838;MM55838;CNCC=NOC(=O)C#N;KXLVZKFSXNQLRB-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55839;MM55839;C#CC(C#N)=NOC=O;AYGPCSQYZOQFQC-UHFFFAOYSA-N;122.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55840;MM55840;C#CC(=O)ON=CCNC;ASBATLQRHQOJML-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55841;MM55841;N=CN(N)CC#CCCF;KPONGOYQRQNLIT-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55842;MM55842;C#CC(C#C)=CNC=O;PGSIGLMIJKZYPS-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55843;MM55843;CCCC(=O)C(O)CNC;NLEQAWZDZOSXSG-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55844;MM55844;C#CC(C#C)=NNC=O;DKKWRHSCCSFZOM-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55845;MM55845;C=CCC#CCN(N)C=N;NITBJWRDLQKGSP-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55846;MM55846;OCC(=CC=CF)CO;BJJBLIPGBXXVRG-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55847;MM55847;C=CC#CC(O)CNC;FTJUFDXWNUPEDZ-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55848;MM55848;CCN(CC)CC(O)CF;BYFJNWMWDXTODQ-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55849;MM55849;CC#CC(C#N)NC;CFCUXOGCZAHGDI-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55850;MM55850;COC(=CC=NO)CO;AQNDDUGMWYLLQQ-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55851;MM55851;CCN(C=N)OCCOC;SIQGSYRBXZZLPA-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55852;MM55852;C=CN(C=C)C(=N)OCC;CVZYZMAGAUZWHS-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55853;MM55853;C#CCNCCOCC#C;MKAIVGMXIHNQOO-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55854;MM55854;C=C(C)C(CN)=C(F)CO;MNSNNTXCQAWZJF-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55855;MM55855;CNC(=NC=NO)NC;MVPMHTRDODWVBH-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55856;MM55856;CC(=O)NC(C)=C(C)CN;KJHTYLLOEYXYTJ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55857;MM55857;CCC(=O)NC(C)=CCN;ILWLFSAMYZJTPB-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55858;MM55858;C=CCC(=CCN)NC=O;DKPZSOPELOLKDQ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55859;MM55859;CNN=CN=NC=CNN;LPHILLMXKCDCAE-UHFFFAOYSA-N;142.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55860;MM55860;CNC(=NC=NO)NO;UUIUYHSCQWBOTI-UHFFFAOYSA-N;132.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55861;MM55861;CCCC(=CCN)NC=O;YWWZHTRAVXKMFN-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55862;MM55862;CNC(=NC=NO)OC;JLTSLNZIWPVZOU-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55863;MM55863;CNC(COC)=NOC=O;MYORTZAUZZEKQK-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55864;MM55864;CC(N=NC=CNN)=NN;RZEGRAURANVHQV-UHFFFAOYSA-N;142.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55865;MM55865;CNCC=NOCCC#N;NDNBXQWMUYPCET-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55866;MM55866;C=NN=CON=CCNC;YNFBNTKYZHUBSR-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55867;MM55867;C#CC(C)(F)CN;PQYCBLZUHXGGTR-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55868;MM55868;CC=NN=C(CO)CO;NQZQHCAOIZEEDZ-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55869;MM55869;CC=NN=C(CO)OC;ILHGAFHVFDAAQS-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55870;MM55870;COCC(C=NN)=NOC;OGJTWVNNHRJQAF-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55871;MM55871;C#CC(=NO)N(N)C=NN;MKLCWANAYMDBJD-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55872;MM55872;C=C(NC(=N)CO)OC;MUCPCILLEXAODA-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55873;MM55873;C=NOCC(O)C(C)C;LRYIQBQBHQMHFO-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55874;MM55874;C=CC(O)CN(C)N=CC;PPFVCGXVEDTDRK-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55875;MM55875;C=CCN(O)C(=N)CF;DHFNAVSMWMXFMD-UHFFFAOYSA-N;132.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55876;MM55876;CC#CC(=NN)N(C)O;XZJHREJYGSHFDJ-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55877;MM55877;CC=NN=C(OC)OC;UTSRHJLINABAMA-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55878;MM55878;O=CC(=CC=NO)CO;ZPUNDHXIAXHTPS-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55879;MM55879;CNC(C#N)=CC=NO;BVSQBBDHZKRKJA-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55880;MM55880;COC(C=O)=CC=NO;YAWBLIFVUMBZPI-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55881;MM55881;COC(C#N)=CC=NO;MWDPRSVKTPFOAL-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55882;MM55882;CC=NN=C(C=O)CO;KNGHAFNSZMLHPZ-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55883;MM55883;CC=NN=C(C#N)CO;MARJPHWVZBGFQA-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55884;MM55884;CC=NN=C(C=O)OC;UOXGEQMOOPJWJD-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55885;MM55885;CC=NN=C(C#N)OC;DZYVIOSQCZHYON-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55886;MM55886;CC(C#N)(C#N)C(=N)NO;CPHPRLHKZHGACP-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55887;MM55887;C#CC(=CC=NO)CO;MUXAMGAMPFDGTJ-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55888;MM55888;CC(C)=NNCC(C)(C)O;AXLFLSSDYFEPSD-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55889;MM55889;C#CC(=CC=NO)OC;VPMAIHUJQZTNQF-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55890;MM55890;C=C(F)C#CCN;XUBQNKXNQGRIIV-UHFFFAOYSA-N;99.11;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55891;MM55891;C#CC(CO)=NN=CC;ZPHUJJXDMMVNPR-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55892;MM55892;O=CC(C=O)=CC=NO;GPCZQQHPNWEUJV-UHFFFAOYSA-N;127.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55893;MM55893;N#CC(C=O)=CC=NO;IXBRQVWNYOLGJH-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55894;MM55894;C#CC(C=O)=CC=NO;IRFUWXOZROVCPZ-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55895;MM55895;CC=NN=CC(=N)N;IWHYRRUBYHDEQZ-UHFFFAOYSA-N;112.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55896;MM55896;CC=NN(C)CCO;MQOAPAYULLQKGK-UHFFFAOYSA-N;116.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55897;MM55897;CC#CC=C(CO)CO;YESDCLDFMBHSEK-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55898;MM55898;CC#CC=C(C#N)CO;GPNFWCNLBONWMD-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55899;MM55899;CC#CC=C(C#N)C#N;MDNDXQXTAPIVLL-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55900;MM55900;CCc1coc(=NO)o1;VGPIIZYGUTZBBD-UHFFFAOYSA-N;129.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55901;MM55901;CNc1coc(=NO)o1;LQDVLVCSVAZAJP-UHFFFAOYSA-N;130.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55902;MM55902;CC=NNCCO;KFUPJOMMSXDXFG-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55903;MM55903;C=Cc1coc(=NO)o1;IAXXRIHVTQCIKD-UHFFFAOYSA-N;127.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55904;MM55904;C=CC(CC(C)O)=NNC;DHWKMQDYSOXNSQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55905;MM55905;C=Cc1noc(=NO)o1;MFXWULBMVBOAFZ-UHFFFAOYSA-N;128.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55906;MM55906;N#Cc1noc(=NO)o1;GCTAVGULPNSFHS-UHFFFAOYSA-N;127.06;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2";;;;;;;-0.67;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55907;MM55907;C#Cc1noc(=NN)o1;XOSDQQFXJONPOG-UHFFFAOYSA-N;125.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55908;MM55908;C=CC(N)C(F)CF;LELORLPLCKBUPV-UHFFFAOYSA-N;121.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55909;MM55909;C=C(C)N(C=N)OC;KTGUDCLKMWITDQ-UHFFFAOYSA-N;114.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55910;MM55910;NCc1coc(=O)o1;MJMRSGOJSOUPAI-UHFFFAOYSA-N;115.09;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55911;MM55911;C=CC(C)NC(=N)OC;VRKMBDCUZCDKPR-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55912;MM55912;CNC(C)C(=O)N(C)N;NWSRJBAPAYZXSN-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55913;MM55913;C=C(C)C(N)C=NOC;FGGZJQOZDGBJAS-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55914;MM55914;COC=NN=C(C)CN;CDXTZZNCUHZJON-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55915;MM55915;C#CC(N)C(C)OCC;POAFEUDVTGWGBZ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55916;MM55916;CC(C)=C(C#N)NC=N;XKIVNOGLRNBSBI-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55917;MM55917;CCCOCOCCO;BINWIKHYTSIKOV-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55918;MM55918;CCCOCOCOC;SNZZPIQYLDPMHP-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55919;MM55919;COCOCOCCF;FQXCBEVMOPJHMB-UHFFFAOYSA-N;138.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55920;MM55920;COCOCOCOC;NYENPQBYHWPGNG-UHFFFAOYSA-N;136.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55921;MM55921;C#CC(COCC)NC;CSGUDORUPFKNBD-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55922;MM55922;C=CC(CC)=NNCCO;LQKQXHLDLPKTOD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55923;MM55923;COC(C#CCN)=CF;HANMIWGANPJLAK-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55924;MM55924;C#CC(C)(N)CC(=O)OC;WFJNKIZURKHZRD-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55925;MM55925;CC(N)C(=N)N=CN(C)C;MQNBMPKRPKDLHR-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55926;MM55926;COCCOCCOC;SBZXBUIDTXKZTM-UHFFFAOYSA-N;134.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55927;MM55927;C#CCC=NN=CC(=N)N;JUOLEVBKMJJUHZ-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55928;MM55928;CCOCOCCCO;QAEGEISMAWSSLB-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55929;MM55929;CC=NNCC(N)COC;SULHOCBTANDEIY-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55930;MM55930;C=CCC#CC(=N)NC=N;JSNOXKZBYRGATR-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55931;MM55931;C=C(C)C(N)C=NOCC;VKJQLSPCMAICDW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55932;MM55932;N#CCC(C(=N)N)=C(F)F;JNZAQQAXZZJJCY-UHFFFAOYSA-N;145.11;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55933;MM55933;C#CC(C)(CN)ON=CC;FJFSZSFBVRDYLI-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55934;MM55934;C#CC#CC(N)(C#C)CN;RCZXVTCVYSAEFT-UHFFFAOYSA-N;132.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55935;MM55935;COC(C)=NN=C(C)CN;LEECQPALORKWDH-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55936;MM55936;C#CC(C#C)ON(C)C=N;CWJVOVRQSJHGEA-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55937;MM55937;C#CCOC(C)C(N)C#C;VPFLBQSAKAHVRI-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55938;MM55938;C#CC(=C)C(=N)NC=NC;GWAQWADWQHGWCA-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55939;MM55939;C#CCOCON(C)C=N;AYFXMZCRYDLDTK-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55940;MM55940;CCOC=NN=C(C)CN;VAMOFZQGFJRFMB-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55941;MM55941;N#CCOCCCCO;VKIZGDBJJPDIBA-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55942;MM55942;C=COC=NN=C(C)CN;XHLBOANJEHLMSE-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55943;MM55943;COCCCOCC#N;XHBNRSHROIHTQN-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55944;MM55944;O=CNOCCCCF;ICHHIFFQBKOMOJ-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55945;MM55945;C=COC=C(CN)OC=O;QQYPEOAFNVMMRC-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55946;MM55946;COCCCONC=O;YXYHAXQXXPXXTJ-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55947;MM55947;CCOCCOCC#N;OOOBZUUQKOXPAD-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55948;MM55948;CON(C=CC=O)C(C)=N;JSRKYEWZUNVPJI-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55949;MM55949;CCN(C=N)OCCC#N;UVNKEIJIQRDQIV-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55950;MM55950;CC(O)CC=NN(C)C;ONOKPEFCBLYKNJ-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55951;MM55951;C#CC(COCCF)NC;GSHDMBSLDCNHIO-UHFFFAOYSA-N;145.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55952;MM55952;N#CCCCOCCO;SLSIXAZWHSVQAS-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55953;MM55953;COCOCCCC=O;BUDRHKYPVRNWQU-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55954;MM55954;COCOCCCC#N;XBCKFBPBSJIPFJ-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55955;MM55955;C#CC(COCC=C)NC;SWURBGWGGFTNCW-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55956;MM55956;C=COCCOCCO;WULAHPYSGCVQHM-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55957;MM55957;C#CC(=NC=COC)NC;LVGQEQIZJAFIMU-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55958;MM55958;N#CCOCOCCO;NLHPCJOXCOECFU-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55959;MM55959;N#CCOCOCCF;GPMMMSPILCYYFG-UHFFFAOYSA-N;133.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55960;MM55960;C=CCOCOCOC;KUJYYUDJLLVHAM-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55961;MM55961;COCOCOCC#N;BJUWYDLSJIQNEB-UHFFFAOYSA-N;131.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55962;MM55962;C=NN=CC(=N)N;WDFVDQVOJZANQO-UHFFFAOYSA-N;98.11;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55963;MM55963;CCCOCONC=O;QBDHZWUSNDWBKD-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55964;MM55964;C#CC(N)C=CF;XPIHIPAFIJLWQG-UHFFFAOYSA-N;99.11;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55965;MM55965;CCN(NC)C(=O)NC;QITUNBRAOVRHGY-UHFFFAOYSA-N;131.18;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55966;MM55966;C#CC(=O)C(C#C)CNC;AAKCCXYBOODRSR-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55967;MM55967;CC(F)C(N)C=CF;CWUXAKINFVNHNO-UHFFFAOYSA-N;121.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55968;MM55968;N#CCCOCCCO;LHTVVZQEGQDHFA-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55969;MM55969;C=NN=C(C)C(=N)N;XANHNJCJKCKXSS-UHFFFAOYSA-N;112.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55970;MM55970;COCCOCCC=O;PVMNWBRYHQDVIN-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55971;MM55971;COCCOCCC#N;ZAGOKQGYDCMNPT-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55972;MM55972;C=COCOCCCO;TVRWQKUTALHTIN-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55973;MM55973;O=COCOCCCF;ZVKBRORARMQBKD-UHFFFAOYSA-N;136.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55974;MM55974;C=CCC(O)C(N)C=CF;HBWNZRQKJWYRIB-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55975;MM55975;C=COCOCCOC;LLZNLEKQNPWEKB-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55976;MM55976;C=C(CF)C(N)CF;RWFFJBGOBPDZAP-UHFFFAOYSA-N;121.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55977;MM55977;CCOCOCCC=O;NHJIKPAPMUWMIE-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55978;MM55978;C=COCOCOCC;ZWMHRTGCOKWEBG-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55979;MM55979;CC(=CF)C(N)CF;XYDSJBRHNSHUTO-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55980;MM55980;CN=C(CF)NC=N;WCBPVXRENIJZNL-UHFFFAOYSA-N;117.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55981;MM55981;C#CCOCOCCO;VIKFVAWRLGMWAR-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55982;MM55982;C#CCOCOCCF;TXQMJYKKAJQCJP-UHFFFAOYSA-N;132.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55983;MM55983;C#CC1(N(C)C)CC1;UEYCHWRUZBRHLV-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55984;MM55984;N#CCCCCNC=O;ZIMLEXUCYKAKOJ-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55985;MM55985;CN(C)C(=N)OC(=N)N;XJFDMEWIMVSDSI-UHFFFAOYSA-N;130.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55986;MM55986;COC(=O)C#CC(C)N;MBUPVPFZYBPQOJ-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55987;MM55987;C=NNCC(=C)CC(C)=O;UKCOXGRBMSXRDM-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55988;MM55988;C#CC(C=C(C)C)NC;KJBJFVIVYMPUEB-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55989;MM55989;CCCCN(NC)C(N)=O;CLIPMQOKOJSFHK-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55990;MM55990;CC=CC#CC(=N)NN;VZBQCWCBYMLUIH-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55991;MM55991;C=CN(C=C)C(=N)OC;YKUCMZWHWSQECN-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55992;MM55992;CON=CCN=CNN;QZBUAXTUANSLKV-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55993;MM55993;CNCC(C)(F)C(C)=NN;JRXAPKMSFXADAA-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55994;MM55994;C=CC#CC(C)(N)COC;VJKPLDNUKGIAIO-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55995;MM55995;CCC(F)(C=NN)CNC;MUBXCERJPXYQJT-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55996;MM55996;C#CCNCCOC(=C)C;FCLRKKHHSKJVLL-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55997;MM55997;N#CCCCONC=O;HIEYQQNJNGYLEH-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55998;MM55998;C=NOC(=NN=CC)NN;HROASOFNOSTKMG-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM55999;MM55999;C=C(C)C(=C)N(C=N)C=N;KAZAMGPINAUCBI-UHFFFAOYSA-N;137.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56000;MM56000;CNC(=NN)ON=COC;KJYZEHMSSOZJNB-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56001;MM56001;CNCC#CC(=O)N(C)C;NYGOQBFTJLMUEO-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56002;MM56002;C=COCCOCC=O;ZNWGQIKDCXFDQN-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56003;MM56003;C=COCCOCC#N;UEESBTXVRZFRQC-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56004;MM56004;N#CCOCCOC=O;FQCVEDRZRMTVFV-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56005;MM56005;CNCC(C=CF)=NOC;ONGBBNMMOGCCSB-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56006;MM56006;N#CCOCOCC=O;YPIGOTODIIXHEW-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56007;MM56007;C#CC(=N)NNC(=N)C#C;RHAGNUUCXVZNSV-UHFFFAOYSA-N;134.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56008;MM56008;N#CCOCONC=O;SHSNANLAUIJIES-UHFFFAOYSA-N;130.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56009;MM56009;CCC=CC(N)(CN)CO;HICUELGGTJJTRH-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56010;MM56010;C=NOCC(N)C=CCF;SQKSIOQGFYHDLF-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56011;MM56011;N#CCCOCCC=O;BGTKENZFTUXLCY-UHFFFAOYSA-N;127.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56012;MM56012;N#CCCOCCC#N;BCGCCTGNWPKXJL-UHFFFAOYSA-N;124.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56013;MM56013;C=COCOCCC#N;XGVFGTWLIPALFP-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56014;MM56014;N#CCCOCOC=O;NZFCGWJIIHGBDG-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56015;MM56015;C=CN(C)C(=N)C#CC=O;XHHCVTRKIIXLGD-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56016;MM56016;C=COCOCOC=C;BSXRCLOVCXQNDZ-UHFFFAOYSA-N;130.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56017;MM56017;C=COCOCOC=O;UQXAOOJXTBWWRW-UHFFFAOYSA-N;132.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56018;MM56018;C=CC=C(CN)N(C)C=O;WIQQMPLPIVFXCT-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56019;MM56019;C#CC=CC(C)(CO)NC;MNOBPMMRIVUQLW-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56020;MM56020;CNC(=N)C(=NOC)OC;LQJZABHIYQHJAY-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56021;MM56021;CCNC(=NC=NC)NO;VZTJEQRIENSRHF-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56022;MM56022;C#CCOCCCC#N;AXMQDYCZRLPMCU-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56023;MM56023;COC=C(C#CCN)OC;FIOUNFHUGWYFDU-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56024;MM56024;C#CCOCCOC=O;VNORBJKVFIYVKS-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56025;MM56025;C#CC(C=CCC#N)NC;XUYPCKBDVYLZNB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56026;MM56026;CNC(C#N)C#CCCF;UJFDLHIXXUTMBN-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56027;MM56027;CCON=CCN=CNN;QQXZJPULKPNEKA-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56028;MM56028;C=NN(C)CC(=O)C(C)C;UQBTVWIZPMEQTB-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56029;MM56029;C#CCCCONC=O;JOQBLMHIMGXCLD-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56030;MM56030;C#CCOCOCC=O;ZZSSJSZCIVOPLW-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56031;MM56031;NCC#CC(F)(F)F;OQZYIEKWKXGOQB-UHFFFAOYSA-N;123.08;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56032;MM56032;C#CCOCOCC#C;CCBFIYAJYDJYOL-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56033;MM56033;C=CC(N)C(=C)OC;VPWCPCYWJSRTIR-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56034;MM56034;CN=C(C=NO)N(C)OC;SGPKEUWIBKKCBJ-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56035;MM56035;C=NNCC(F)CN;UBMDOSGWFDDKBX-UHFFFAOYSA-N;119.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56036;MM56036;C=CC=CC(N)CF;ODXQJABFXLSFMG-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56037;MM56037;C#CC(N)C=COC;HPJKDBAFBWRFLA-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56038;MM56038;C=CC#CC(=N)NN;DVQDTNHRZBBAMK-UHFFFAOYSA-N;109.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56039;MM56039;CN=CN(C=NO)CC#N;HHSDNARESLEGAV-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56040;MM56040;N=CNC(=O)NC=O;JXRTZSPMDCKROE-UHFFFAOYSA-N;115.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56041;MM56041;C#CC(C=CC)NC;CSOQRTVPBBOGHY-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56042;MM56042;C#CC#CC#CCN;UNPMCFDVTQHYHG-UHFFFAOYSA-N;103.12;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56043;MM56043;CC(=CC(N)CF)CF;SLRTYUYBUSTALI-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56044;MM56044;CC(F)=C(C)NC(=N)NO;YBJNWSPMNGXMPI-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56045;MM56045;CC=COCOCCO;LHMLSIGPHSUFEI-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56046;MM56046;OCCOCOC=CF;IOPSKNTXQRPFFH-UHFFFAOYSA-N;136.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56047;MM56047;C#CCC(=N)NC(=O)NC;FJESTWIKEZXGEF-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56048;MM56048;CCCOCOC=NO;FFTWHRGIMQGXEP-UHFFFAOYSA-N;133.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56049;MM56049;OCCOCOC=NO;PLANNNMYLCOAND-UHFFFAOYSA-N;135.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56050;MM56050;C#CC(C#C)CNC=NO;AEZXTARBDPPIKD-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56051;MM56051;CCC#CC(=N)NC=N;CEHXEYOSBBQSNF-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56052;MM56052;CON=C(C)C#CCN;OWOLFKRTOSLHDX-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56053;MM56053;C#CC(N)C=COC=O;AFDAHRVTYQTILA-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56054;MM56054;C#CC(COC=C)NC;KYNZATZJFOROLV-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56055;MM56055;C#CC(=CC)N=CNN;TZKZENHRUVJLEZ-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56056;MM56056;C#CC(C#N)=CCNC;SDUSKCJQJRWXMZ-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56057;MM56057;CC#CC#CC#CCN;GWWPVDYBVDBJQR-UHFFFAOYSA-N;117.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3";;;;;;;2.13;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56058;MM56058;CC=CC(=O)NC=N;LHJUJMSJDBMOPH-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56059;MM56059;CCCC=CC(=O)NC=N;JVHBGHXBCOHOIW-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56060;MM56060;C=C(C)NC(=N)OCOC;BIYZCLJZIUOQHL-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56061;MM56061;CCOCOCC=NO;JERIMBYGAWYILG-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56062;MM56062;C#CC(N)C=COC(C)=O;VCJBUSKCYPWTCE-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56063;MM56063;C=CC(N)CON=C(C)C;AMUWJAPTNIISMR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56064;MM56064;C=C(CC#N)NC(=N)NO;VGNCYJXDRRDXHD-UHFFFAOYSA-N;140.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56065;MM56065;COCC(C)=CC(N)CF;QDEYBVFLIYQGOD-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56066;MM56066;CC(C)=NNC(C)C(C)O;VAKVVDWIUIGCHU-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56067;MM56067;CON=C(N(C)C)N(C)C;PNZWMCLSDGEDIA-UHFFFAOYSA-N;145.21;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56068;MM56068;CCCN=CNC(=N)NO;MYJCPGBHVJRIIE-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56069;MM56069;C#CC(N)C(N)(C#C)CC;PPJXNDDHFDVMHZ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56070;MM56070;C=CC(CO)NN=CC;IXUSGVQNQZZGMI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56071;MM56071;C=CC(F)=CC(N)C(C)O;PQEPUIWJUOVEHI-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56072;MM56072;CNCCC(C)(C#N)C#N;LZONJEZYTDDPIZ-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56073;MM56073;C#CC(=N)N=CN(C)C=N;OBVYFPKWCGKIQD-UHFFFAOYSA-N;136.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56074;MM56074;N#CCCCOC=NO;RCAWIZBMWJWZBS-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56075;MM56075;O=CNCCOC=CF;FVVLLDMNELEBAB-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56076;MM56076;C#CC(N)C#CC(N)C=C;FVIWFGQABDIPQA-UHFFFAOYSA-N;134.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56077;MM56077;C#CC=CCC(=N)N(C)O;XKJLRLPVCMZQOU-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56078;MM56078;C#CC(C(C)O)C(N)C=C;QGTBYOXWLIAJMH-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56079;MM56079;C=NOCCOC=NO;BJLPZPIQYYSKAY-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56080;MM56080;CN=C(NC)OC(C)OC;KNBWAWKDSPJKRK-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56081;MM56081;C=CC(N)C(F)C(N)C=C;XOLQKNNIFUTYSB-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56082;MM56082;C=CC(C)N(C)C(=N)OC;IRPCCRXXTUDHBC-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56083;MM56083;O=CNOCCC=CF;ZJYCDQNRPWAONC-UHFFFAOYSA-N;133.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56084;MM56084;CC=COCOCC#N;YVJWKFDJXXGUFT-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56085;MM56085;CC=COC=C(CN)CO;ZOQAPGQWXNGYQC-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56086;MM56086;C=CCOCOC=NO;OUDROBAIVMZKTR-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56087;MM56087;C=CC(F)C(=C)C(N)CO;PBBTZGHZODLDOH-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56088;MM56088;C=C(C(C)=CF)C(N)CF;IEIHZYNGEGTGDI-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56089;MM56089;CCN=CN(N)CCOC;JGNRNEJCHWBHOT-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56090;MM56090;O=CNOCOC=CF;GHTLBSJNDSAYEQ-UHFFFAOYSA-N;135.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56091;MM56091;CC=NOCONC=O;SHQVZWCHSWWPAQ-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56092;MM56092;C=CC#CC(N)C(F)CN;RCKCEXHGQQRZAP-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56093;MM56093;C=CC(C)NCCNN=C;FXFSTQQJWJCPFS-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56094;MM56094;C=CCC(=CF)C(N)CO;KCDGKJLEEVCSTB-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56095;MM56095;CC=NN=CN=CNO;LWSRYUUSVCCKFU-UHFFFAOYSA-N;128.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56096;MM56096;C#CC(=C)CNCCOC;FUAHWFLOXQSXOZ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56097;MM56097;C=COCOCC=NO;ANHUWJQVRCXUDF-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56098;MM56098;C=CC(N)CON=COC;FPJPBMZLDUYLGO-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56099;MM56099;N#CCCONC=NO;MXBZPKLIHHODOJ-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56100;MM56100;C#CCOC=CC(N)C#C;LHNNEPBRVLFCEE-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56101;MM56101;COC(=O)C#CC#CCN;AOWSMNIQOGFNKA-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56102;MM56102;C#CCOCCC=NO;OVBBBQDMGRQBFH-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56103;MM56103;C#CCOCOC=NO;TUEUXUVJNBWNNA-UHFFFAOYSA-N;129.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56104;MM56104;C=CCN(OC)C(=N)C=C;WJGSPTQJDRPXLK-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56105;MM56105;CC#CC(NC)C(F)CN;SEQQWUGCYNVYRT-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56106;MM56106;C#CC=C(C#C)N(N)C=N;VAPLJQHONYMAOX-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56107;MM56107;CNC=NC(=COC)OC;SHKYDYWNEIANIZ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56108;MM56108;ON=CCCCC=NO;AVRPCDNPQAKCNP-UHFFFAOYSA-N;130.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56109;MM56109;C=CC(CNC)=NOCC;RQVPXPIBJRRJTC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56110;MM56110;NN=COCCC=NO;GARXCODBQBLIIS-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56111;MM56111;C#CC(CO)C(N)C=CC;UIRHOKYCGJWDDS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56112;MM56112;CC=COCOC=NO;QSFQGXCSTOKJQB-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56113;MM56113;C=C(F)C(=CC(C)O)CN;NYEOJLRWNNZNNQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56114;MM56114;CCC(=NCCO)NC=N;XIYHJMJKRAMSIP-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56115;MM56115;ON=COCOC=NO;XLPCGFUVTLLKPY-UHFFFAOYSA-N;134.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56116;MM56116;CC(C=NN)CO;FFBABSDHYYUZGE-UHFFFAOYSA-N;102.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56117;MM56117;CC=NOCOC=NO;OCVTZTVREVUXFW-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56118;MM56118;C=CC(C)N(OC)C(C)=N;RTBORHPMVYXGNE-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56119;MM56119;CC=CC(N)CF;QLTWOIUWCBOVSY-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56120;MM56120;C=CCNCC(CO)CF;GPNUSVLJRYCZSB-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56121;MM56121;C=CC(CC(=O)CF)NC;VSYQQBLEKHHOOD-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56122;MM56122;C#CC(N)(CCO)C(C)C;ALYUAODZTDBIBR-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56123;MM56123;CC#CC(=N)NC=N;KRVOIRSIJLVHFF-UHFFFAOYSA-N;109.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56124;MM56124;CCOC=NNC(=N)NC;KMXRRYOEUDOXBC-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56125;MM56125;NN=CC=CCO;VAVYOIIJMLPREJ-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56126;MM56126;CC(C)C(N)C#CCCO;GIJFURSOUSZRCL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56127;MM56127;OCC=CCOCCO;JMBLSNVHLVMXHG-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56128;MM56128;CC(F)C#CC(=N)NN;UFDJAIKTUCEBAA-UHFFFAOYSA-N;129.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56129;MM56129;COC=CCOCCO;WBMKNVORBWOCPJ-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56130;MM56130;COCOCC=CCO;AQKXKAKAHBHYRD-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56131;MM56131;COC(CF)CN(C)C;BXGSAGKLPCPLCH-UHFFFAOYSA-N;135.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56132;MM56132;C=C(F)C#CC#CCN;UCJFFSADNFEVBJ-UHFFFAOYSA-N;123.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56133;MM56133;CCNN=C(C)C=CCO;QJVJBWIUCGQLRE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56134;MM56134;C=CC=CC(N)C#CC;WJBTUQAQLKVPFA-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56135;MM56135;CCNCC#CCCO;SPKUXVKQTKYLHJ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56136;MM56136;COC(=O)N(C)C(=N)N;CEKFARDLVDWTLO-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56137;MM56137;COCC=CC(N)CF;GWSPKFNIMIZWFE-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56138;MM56138;CNN=C(C)CCC(C)O;UFPUDKJMUWCISL-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56139;MM56139;C=CC(N)C#CCCF;QPBVMDFGRUCNLC-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56140;MM56140;CC#CC(N)C(F)CN;FSGBULVBYGKGFT-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56141;MM56141;CCN(C)N=CCCO;MBPTXQOPMGIQQL-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56142;MM56142;C=C(C)CNN=CCCO;UHCNFMXUFRPMSV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56143;MM56143;CCN(NC)C(N)=O;KNNCIURAHFCLOO-UHFFFAOYSA-N;117.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56144;MM56144;CC(C=CCO)C=NN;KNAHBTQYSRSTQD-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56145;MM56145;C#CC(N)CCC=CCO;WROOMUUJSZJWAB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56146;MM56146;C#CC(=N)N(C)CC=O;VSIHXSOAVRYBSB-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56147;MM56147;C#CCN(N)C(C)=NC;SKJBIZWHYMDPSV-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56148;MM56148;C=NNCCC(C)NC=O;LDSXGHNNQABYMZ-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56149;MM56149;COC=COCCCO;TZWGXXGGRMIJGF-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56150;MM56150;C#CC(=C)C(C=C)NC;WVKVWMCVTKAHIR-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56151;MM56151;COCCOC=CCO;CWEZREVYZDHSAX-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56152;MM56152;COC=COCCOC;JCGZBFFNPMJNFZ-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56153;MM56153;C=NNCCC(C)C(N)=O;HGCXJWHITHRPCU-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56154;MM56154;CC(=N)NC(=N)OC(C)C;MGNHONAAKFWKNN-UHFFFAOYSA-N;143.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56155;MM56155;CCOCOC=CCO;QWCNJXUJOOKLDD-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56156;MM56156;CCOCOC=COC;NNUWPMJVYOHSIW-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56157;MM56157;C#CC(=C)CN(N)C=NC;XGFREJZWQPBDKM-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56158;MM56158;C=C(C)CN(C=N)C=NC;SNOPVOAYHPCNCD-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56159;MM56159;C=NN=C(NN)ON=C;IMWKVYRNUPEDHE-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56160;MM56160;C=NN=C(NN)ON=CC;RAJACBJNRXIWQD-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56161;MM56161;CC(C)=NNC(=N)CC#N;FVISIPPREATLIQ-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56162;MM56162;C=C(C)C(CNC)=NOC;HQBOPGDLOGHDHC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56163;MM56163;C=NN=C(C=CN)C(=N)N;NKZSLBRLBXWJIV-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56164;MM56164;C=CC(C)(CNN=C)NC;ZIDYFZVESJTHLM-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56165;MM56165;O=CC=CCOCCO;SQQFAQPYSBQNCK-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56166;MM56166;N#CC=CCOCCO;FIGDDMSDWQGETO-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56167;MM56167;COCOCC=CC=O;NDPQSMFWQIDQST-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56168;MM56168;C=CC(=O)C#CC(C)NC;BJVPWCFTZLDYFB-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56169;MM56169;C=NN=CCOCCO;LPPXYERXGZPGHI-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56170;MM56170;C=C(CC#N)NC(=N)C#N;LRVWHJCWEGZKHG-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56171;MM56171;O=CC=CNCCCF;JPSVUQLNBWESQQ-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56172;MM56172;CNC(=N)C#CC(=O)OC;IAZVVHWCKPAVKK-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56173;MM56173;CN(C)CCC(C#N)=CN;VYCQAKAIYOEARP-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56174;MM56174;CON=CN=NC=CNN;MJUJIOYCFDKMQX-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56175;MM56175;CCC#CC(N)C(F)CN;JEKPCRLDONGYDV-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56176;MM56176;C#CCNC(=NC)ON=C;YRAGZLKKYYAODF-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56177;MM56177;C=NNCC=CC(N)CF;KLDVWPCGDJHMHV-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56178;MM56178;N#CC=NNCCCF;DJIPFOICRIFTNI-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56179;MM56179;C=NOCC=CC(N)CF;ATARJIRYEJUZMX-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56180;MM56180;CNC(CC=O)COC;LKZYLELNCJLHKU-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56181;MM56181;C#CC(N)CCC(=C)CO;MZIIXDCEODWDMS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56182;MM56182;C#CC(NCC)C(F)CN;SABPQTLGDZQWDP-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56183;MM56183;C=C(C)NC(=NC=O)NC;FVBYZRQVYHKMTB-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56184;MM56184;COCCNN=CC#N;ZWESOUMYKYTTFW-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56185;MM56185;C=CC(CC=O)NC;CTOWCQSHBDZVLR-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56186;MM56186;CCCNN=CNC=O;CYJOAOKWVPMVDL-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56187;MM56187;CC#CC(C=NO)=CN;UEZXUVVZMROEAW-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56188;MM56188;CC(=N)NC(C#N)=C(C)N;KLWPARZMEMBHTI-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56189;MM56189;CCC(=N)N(CC#N)NC;QYWPUSWPELBSIY-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56190;MM56190;CCCON=CNC=O;WALNQXIIPGGKED-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56191;MM56191;CN(C=NO)C=NCC#N;FRXAOJYUIGSNMQ-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56192;MM56192;C#CC(=COC)C(=N)NN;VDVAYJYWYFKXCN-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56193;MM56193;COCON=CNC=O;BHOAZGNYJZNFRZ-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56194;MM56194;CC(=O)ON(C)C(=N)NN;JMGMPHGLLIMCPT-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56195;MM56195;O=CC=COCCCO;VBUAJUFMZLNREB-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56196;MM56196;N#CC=COCCCO;CMPBHKJKEPDBMU-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56197;MM56197;COCCOC=CC#N;FONKZUYMONEKTC-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56198;MM56198;C=NN=COCCCO;AQGUZRNUQMHOEB-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56199;MM56199;CCOCOC=CC=O;RVLWULYENSSCRU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56200;MM56200;CN=CN(C=N)CC=CF;MGNNKMISWIVDPV-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56201;MM56201;C#CC=C(C#CCN)OC;SLUXKACUJWUXIP-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56202;MM56202;C=CC(C#CCN)=NNC;XTIWUIXDGBTXKD-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56203;MM56203;C=C(CN)N(CC)C(C)=O;JPGNDVYDUBMZLY-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02762;MM02762;CCOCON=CC#N;WNHKSFGABFEPQL-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56204;MM56204;C#CC(=CC)C(C=C)NC;ONWJNMMKFHIFRK-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56205;MM56205;C=COCOC(=NC)NC;HFQWENGHYZXYFH-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56206;MM56206;C#CC=COCCCO;BSJNLKYDXWHGOL-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56207;MM56207;CC=CC(=N)NC=NNC;NNIQBADVRNTARH-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56208;MM56208;C=CC(N)CF;DDMNKCNXQGQSSZ-UHFFFAOYSA-N;89.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56209;MM56209;CCN(C=N)OC;XHEUEYHBMBULIR-UHFFFAOYSA-N;102.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56210;MM56210;CCNN=CN(C)C;YUDYBBXGCFWZCG-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56211;MM56211;C=CCNCCC(C)=O;NLQVHGWTSHLHLR-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56212;MM56212;C#CC(C=C)NC;YRZXDOIENWICIC-UHFFFAOYSA-N;95.15;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56213;MM56213;C=NNC(=N)C(=NC)NC;SGZFQGTURYASRQ-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56214;MM56214;C=CC(=C)C(N)CF;LAUXEEFBXFVQDM-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56215;MM56215;CNC(C)C#CC=O;SKEWKWYMDKWYIK-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56216;MM56216;C=C(CCC#N)NC=NO;JNGUQJGQEHQRFU-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56217;MM56217;C=NN=CC#CCN;ZBULPSLVMFURDR-UHFFFAOYSA-N;109.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56218;MM56218;NCC#CC#CCF;MSTXLORMXKVCBV-UHFFFAOYSA-N;111.12;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56219;MM56219;C=CC#CC#CCN;XXKIAXNUWKHLFA-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56220;MM56220;CC(C)(F)C(=N)NC=N;DNMZWEQVTBBFFB-UHFFFAOYSA-N;131.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56221;MM56221;CC(F)C#CC#CCN;VAYCRGJXCVWAQS-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56222;MM56222;O=CCOCC=CCO;VCNBNCZKKQWOJO-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56223;MM56223;COC=CCOCC#N;ZSUFWMDFPPCIEO-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56224;MM56224;C=C(C)C#CC#CCN;IWBQKONMBYGXQA-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56225;MM56225;C=NNCC(F)CNC;KFDQFWVVFFTQQV-UHFFFAOYSA-N;133.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56226;MM56226;C=C(C#CCN)OC=O;CRQKTNHMZIMHFM-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56227;MM56227;C=CNC(=N)C#CC=O;FYHFJHXFSGUNOP-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56228;MM56228;CN=C(NC)OCOC;GVXRRYRCWBLNQY-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56229;MM56229;CC=NN=CC#CCN;ARCFVTGSCGLEBS-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56230;MM56230;C#CC(O)C(=O)C(N)=NC;DABGJBVRJRECEV-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56231;MM56231;COC(C#N)=CNC=N;ABBCOISCRKWPPR-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56232;MM56232;C=C(CN)C(CC)=NO;OSDDTEQEEYAWQM-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56233;MM56233;CC(C)C=CC(=O)NC=N;ZAUKDNCHILBOBS-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56234;MM56234;C=C(C#CCN)OC(C)=O;NQQLDLVJIRRPHU-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56235;MM56235;C#CC=CNC(C=C)=NO;BTIKYJLCACFWNZ-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56236;MM56236;C#CC(C)(O)C(C)(N)C=C;PRIIKCFAMXKAHU-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56237;MM56237;C#CCNC(=NO)NN=C;MTSVLTPWXCIGPP-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56238;MM56238;CCC(C#N)N=CNC=N;RSLOAWHNGACUEG-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56239;MM56239;C#CC(O)C(C)(N)C(=C)C;TWUQHIQJLSOMHN-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56240;MM56240;C=CC(=O)NNCC(C)C;FKIROUUNNANNLC-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56241;MM56241;CC#CC(O)(CN)CCF;XGMWXVUARCMVPZ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56242;MM56242;CCON=C(C=NN)CO;UNTMROHDLVEABD-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56243;MM56243;O=CCCOC=CCO;LCNWZQZRUSYQRV-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56244;MM56244;N#CCCOC=CCO;OFVZDMRWFDOGCO-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56245;MM56245;COC=COCCC#N;PQPGLOGELMMSFT-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56246;MM56246;CN=C(OC=O)N(C)O;QEKHMNBCQCVBIU-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56247;MM56247;CC(C#CCN)=NN(C)C;FQEUZQSWLXIZTD-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56248;MM56248;CC#CC(=N)N=CN(C)C;PLURYRJQHGNJHU-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56249;MM56249;C=COCOC=COC;OGHCMADCMRQWGF-UHFFFAOYSA-N;130.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56250;MM56250;COC=COCOC=O;SPGISPVVECHLIO-UHFFFAOYSA-N;132.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56251;MM56251;C#CC(F)=CC(=N)NC=N;DJWRDHRNXLNEOG-UHFFFAOYSA-N;139.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56252;MM56252;CC=NNCC(F)CNC;VRWVOENBJCEXIW-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56253;MM56253;C#CC(O)C(N)(C=C)CC;MLQINIDGQVAXNT-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56254;MM56254;CNCC(=CC=O)CC#N;HESFVZBAXHFHMV-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56255;MM56255;C#CCN(CC#N)C(=N)N;KRWLFVFFNYLJCQ-UHFFFAOYSA-N;136.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56256;MM56256;CON=C(C(C)N)N(C)C;VNKWIZGFMALEIP-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56257;MM56257;C#CC(N)C(N)C(N)C#C;LPVDFOXNDBCSBE-UHFFFAOYSA-N;137.19;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56258;MM56258;CCNN=C(C)C#CCN;KOULZDJKOMIEPE-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56259;MM56259;CCCNC(C#N)C(N)=O;SSMQQBLTNMGRTL-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56260;MM56260;CCC(N)C=NN=CCN;HFXNVWNZMFMTSS-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56261;MM56261;COC(C)=C(NC=N)OC;SMMRMAAQMVEBDH-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56262;MM56262;CCC(C#CCN)=NNC;RQIJVEUVNZUOKY-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56263;MM56263;OCC=NN=CN=CNO;NARQYDBTLTXPNK-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56264;MM56264;N#CC=CCCNC=O;SQAIXMZDOMSAKK-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56265;MM56265;C#CC#CC(O)C(C)NC;JYKSKCKRLBDJNT-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56266;MM56266;C#CC(C=C)CNCCF;SPZJTMZTADEXJQ-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56267;MM56267;C=CC(O)CC=NN;CLHUAIXRTIYRKD-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56268;MM56268;CCOCOC(=NC)NC;PENAMQYSEMAPQM-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56269;MM56269;N#CC(C#N)C(=N)NO;KSPBERLKPBZJRK-UHFFFAOYSA-N;124.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56270;MM56270;N#CC=CCOCC#N;YWXMRSIPCAZNOJ-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56271;MM56271;C=NN=CCOCC#N;BQBKWBSVIZMEMA-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56272;MM56272;C#CCC(=N)N(C=C)C=N;AYKGTIKEUMLPLV-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56273;MM56273;C#CCON=CC#CCN;WXEPHRYOZPJFMY-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56274;MM56274;O=CC=CNCCC=O;HWHQXJPHMSZHMR-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56275;MM56275;N#CCCNC=CC=O;REWGZQBSEYGKAP-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56276;MM56276;CCC=C(C=NN)CO;QILXGQNZFPRMRR-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56277;MM56277;COC=NN=CC#CCN;NBZMOXGAUDDVFB-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56278;MM56278;C#CC=NN=CC#CCN;AJNVIOJJKQSMEW-UHFFFAOYSA-N;133.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56279;MM56279;NCC#CC#CCOC=O;PWTJCANSHMMGIU-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56280;MM56280;CC(=CNN)N=NCCO;OGHBENVAIDRHFA-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56281;MM56281;N#CC=NNCCC=O;SZNFWONLFRYBTD-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16076;MM16076;N#CC=NNCCC#N;VCFKMXVIKJRFKY-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56282;MM56282;C=CC(=NNC)C(C)CO;YOEYYUNHJUOFJS-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56283;MM56283;C=CCNN=CNC=O;YIALMRALSPRWLT-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56284;MM56284;CN=C(N=CNO)OC;JLTSLNZIWPVZOU-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56285;MM56285;N#CCNN=CNC=O;NELVWCSXMOISAZ-UHFFFAOYSA-N;126.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56286;MM56286;N#CCCOC=CC=O;COLSLXKZWYMRQC-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56287;MM56287;N#CC=COCCC=O;CSQUVXDWAXLPLS-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56288;MM56288;N#CC=COCCC#N;LROWMTIKHNNZCF-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56289;MM56289;C=NN=COCCC#N;BXPNJHIPQVMMBL-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56290;MM56290;C=COCOC=CC#N;JXMQLMYZZXRPLM-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56291;MM56291;C=NOCC#CC#CCN;RTOKLBFHHAPFLT-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56292;MM56292;N#CC#CC(=N)N;NRAQHYPMPHQVNY-UHFFFAOYSA-N;93.09;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56293;MM56293;CNCC(F)CF;HSUMPYABNQGORO-UHFFFAOYSA-N;109.12;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56294;MM56294;C=NN=COCOC=O;CFDPBUVGBYLQNW-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56295;MM56295;C=CC(N)C#CC;JDDYNVGMSISBOR-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56296;MM56296;C#CCNCC=C;RGVPSBWHTNATMF-UHFFFAOYSA-N;95.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15936;MM15936;N#CC=NOCCC=O;ZFTYWRRWYTYFIW-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56297;MM56297;N#CC=NOCCC#N;LSTCKIKJGLSLSS-UHFFFAOYSA-N;123.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02759;MM02759;C=COCON=CC#N;WPCKJSVNXVZAHG-UHFFFAOYSA-N;126.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56298;MM56298;N#CC=NOCOC=O;AACBVJASPSRFOX-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56299;MM56299;CC#CC#CCN;GVFDQAIZCCLGQQ-UHFFFAOYSA-N;93.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56300;MM56300;CC(C)=NN=CN=CNO;UPSFPIPBLMAHRE-UHFFFAOYSA-N;142.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56301;MM56301;CCC#CC(O)(CC)CN;SKGNQAACWNXRLR-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56302;MM56302;C#CC(=N)N(C)C=N;QXYLLOPNDAXQQP-UHFFFAOYSA-N;109.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56303;MM56303;C#CC(N)C(=C)CF;OBCMSEQINYPCSX-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56304;MM56304;CCC#CC#CCN;VRAAHGOQKLJZIX-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56305;MM56305;CNC(=N)OC(=N)NC;WQOPZKKPFWOSKD-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56306;MM56306;C=CN(N)C=NCCF;XNSCIVMPVPHNHA-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56307;MM56307;CC#CC(O)(CC)CN;MBGASBIALQGBJT-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56308;MM56308;C=NOC(CF)CNC;JUOORLXPKDVNDL-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56309;MM56309;C#CC=C(CN)OC=O;MJVHABDUUVYEJC-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56310;MM56310;CON(CCF)C(C)=N;RPNDVTSEGULQOQ-UHFFFAOYSA-N;134.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56311;MM56311;C=CC(C)=NNCCO;CQALZYZWFFXOBG-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56312;MM56312;CC(C)NN(C)C(N)=O;NWANPXAEWKEYDF-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56313;MM56313;CCC=CC(O)(CN)CO;LRCUYLOCQIRIFH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56314;MM56314;C=CC(N)C(O)C(C)F;CLDPLGRFSVDZTG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56315;MM56315;C#CCCNC=CC=O;LYHXFZZTPKFNCI-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56316;MM56316;C=CCC#CC#CCN;PLCFERIVIMTPDT-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56317;MM56317;C=C(F)C(=O)NC=CCN;UBSHAPMBURKDRZ-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56318;MM56318;C#CCC#CC#CCN;KBTBXDFFPAVHPX-UHFFFAOYSA-N;117.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56319;MM56319;C=NNCC(CC)NC=O;CFBNRFNIQLBVNV-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56320;MM56320;C=NNC(C)=NNC;VFKLQTDKDKWDHM-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56321;MM56321;C#CCN=NC(C)=CNN;LZJXIDGAVZAQQG-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56322;MM56322;COC=CCOC=NO;HFKJHJKCEVTXDP-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56323;MM56323;C=C(F)C(C)(N)CN(C)C;QGBDCOKUFZFDMS-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56324;MM56324;C=NN(CC)CC(=O)CC;CSYMHQUDARNQDI-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56325;MM56325;CNN=CCOC=NO;UOXHCOGFPBIRDR-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56326;MM56326;CC(F)=C(C=O)NC(=N)N;QPZFIHQHRCQSFO-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56327;MM56327;CNN(C)C(=O)CC=CF;MDULUTGIELJRMD-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56328;MM56328;C=CC#CC(=O)NC(C)=N;JMRLAUFUEVVQRO-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56329;MM56329;CCC(=NO)N(C)C=NN;RJXNXVHTIRWDAS-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56330;MM56330;COC=COCC=NO;LGNJTBRHTSUPLI-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56331;MM56331;C=C(CC#N)N(O)C(=N)N;MFAOBMMOHHMTHU-UHFFFAOYSA-N;140.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56332;MM56332;N=C(N)ON=CC#CCN;KAUHMFWPPDWWOR-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56333;MM56333;NCC(O)CO;KQIGMPWTAHJUMN-UHFFFAOYSA-N;91.11;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56334;MM56334;CCCC(=N)NC=NOC;WHTXUKGKJGHBAS-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56335;MM56335;C#CCC(=O)NC=CCN;HPJBLPLWWUKCSW-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56336;MM56336;C=C(C)C(N)C(C)=NOC;LENSWSGCRSXKFV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56337;MM56337;N#CC=CCOC=NO;AFHXOYBAHGUINS-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56338;MM56338;C=NN=CCOC=NO;ONLKNFPOIOYIFV-UHFFFAOYSA-N;129.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56339;MM56339;C#CCN(CC#N)C(C)=N;XMLRDWJRUHGHEF-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56340;MM56340;O=CNC=NCC=CF;IZYHGQHQOQHOLI-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56341;MM56341;C=NNC=NCC=NO;VRHPIKFXXZMLHO-UHFFFAOYSA-N;128.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56342;MM56342;C=CC=NNCC=NO;UREYBHDEOCDWIB-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56343;MM56343;O=CC=NNCC=NO;MVXHWJFDVXFFJZ-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56344;MM56344;N#CC=NNCC=NO;LMPMSCRALIYFTB-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56345;MM56345;CC(C)C(=O)NC=CCN;RTRSKUYQVOLLHI-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56346;MM56346;C#CC=CC(N)C(O)C=C;NBMWQRDDPCFCMM-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56347;MM56347;C=NNC=NNC=NO;VHAJDXSBGATGON-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56348;MM56348;C#CC(N)(C#CC=C)CN;SWEXOEIZLSGLCS-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56349;MM56349;CN=C(C)NOC(=N)NC;VFZGWUGWBQFYJU-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56350;MM56350;N#CC=NOCC=NO;AKSOIMYALWVTIE-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56351;MM56351;CN(C=N)C=NC(=N)C=O;HKMVTZGGVHJERY-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56352;MM56352;C=NN=CONC=NO;JNQYTDYXUCMGQD-UHFFFAOYSA-N;130.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56353;MM56353;C#CC=CCOC=NO;GEYRAKWXMFLNCV-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56354;MM56354;C=CN(C=N)OC(C)C#N;URRSYNPQOCUAAC-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56355;MM56355;C#CC=NNCC=NO;FSJUTSVCGUIGMM-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56356;MM56356;C#CC=COCC=NO;OSHUBFPYHHNNDS-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56357;MM56357;CN=C(CN)NC(C)=CF;QQODMJZHVAFYDM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56358;MM56358;C#CC(N)C(=C)C(N)C#C;CXPZFNNRKRQOHY-UHFFFAOYSA-N;134.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56359;MM56359;C=CN(O)C(=NC=N)NC;ZWYZFWUSWXLPJP-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56360;MM56360;C=CC(C=O)=CC(N)=NO;SYVQIXCMIBYLPK-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56361;MM56361;CC#CCN=CNC=O;WLTSZTAZWMIKBV-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56362;MM56362;C#CC(N)C(C)=C(C)OC;WBUMFPYUWYOOLR-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56363;MM56363;CC=CC(=N)NC=O;JHRPBMMVCQGEHP-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56364;MM56364;OCC#CCCCCO;YILMJSBHWCLMLW-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56365;MM56365;C=C(C#CCN)OCOC;XZSIKKMWZJKTDI-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56366;MM56366;NCC#CC(F)=C(F)CN;HKGWBJGRDPFBLR-UHFFFAOYSA-N;146.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56367;MM56367;OCC#CCOCCF;ANHGRSXXEMECEJ-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56368;MM56368;N#CC#CCCCCF;QFKDURUOPOKZON-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56369;MM56369;C=CC(C)N(C=NC)NC;HSPONVJJTBVCLF-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56370;MM56370;C=CC(=NC=N)N(C)C=N;MSGUPTVNZKZSIR-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56371;MM56371;C=CC#CCOCCO;VEGLCLYKXBJNGR-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56372;MM56372;N#CC#CCOCCO;MVPBOLGRUFAVEP-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56373;MM56373;N#CC#CCOCCF;COBBCBHIWGHDIE-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56374;MM56374;C=NOCC(=NC)NC=N;HEEHQZSERQUDNA-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56375;MM56375;C#CC#CCOCCO;WNGNPZGURMYQIY-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56376;MM56376;CC=CC(=O)NC=CCN;ZHJAEVUUMNJHKI-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56377;MM56377;CNC=NC(=CC#N)OC;NYNVEOAIQJWHAL-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56378;MM56378;CCCN=CNC(N)=O;CWSYEGARIAAJJD-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56379;MM56379;CC(=N)N(O)C=CCF;QAMZRWKEEQDSKP-UHFFFAOYSA-N;132.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56380;MM56380;C#CCC=CC(=O)NC=N;RDINXHGOPCARAG-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56381;MM56381;C=CCOCC#CCO;LHRGCJVTBVXORN-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56382;MM56382;N#CCOCC#CCO;KSMJZAZCLNZPHE-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56383;MM56383;N#CCOCC#CCF;GLEJRPBGLWZFBA-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56384;MM56384;N#CC#CCCCC=O;MOVJZRJRDAJGMJ-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56385;MM56385;N#CC#CCCCC#N;ARZRUQYYFCOZKC-UHFFFAOYSA-N;118.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56386;MM56386;C=NN=C(C#CCN)CN;HKHYAOAPBXIQRB-UHFFFAOYSA-N;138.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56387;MM56387;N#CC#CCCNC=O;HNQMIEPSPXNUNB-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56388;MM56388;C=NOCC(=NC)N(C)C;XHUOHYONSXDZPK-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56389;MM56389;C#CC(C=C)C(CF)NC;QNNOTNDPINQUEM-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56390;MM56390;CC=NN=C(CO)N(C)C;AWMUIWZATLPGEM-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56391;MM56391;O=CC#CCNNC=O;SMQAJOCPMIXVLO-UHFFFAOYSA-N;126.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56392;MM56392;C=CC#CCOCC#N;FTSLCLNLPWUZFP-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56393;MM56393;N#CCOCC#CC=O;VXEWFXSPTQFNKV-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56394;MM56394;C=CC#CCONC=O;FIEUOVJLJJJSOG-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56395;MM56395;N#CC#CCONC=O;QNAPETPZMFCSQA-UHFFFAOYSA-N;124.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56396;MM56396;C#CC#CCNNC=O;CAGIGHUQUQSMQD-UHFFFAOYSA-N;122.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56397;MM56397;C#CC#CCOCC#N;WEHYXESGXVLUAS-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56398;MM56398;C#CC(NC)C(C=C)=CC;DNKLJDYVZWFGOX-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56399;MM56399;C#CCNCC(C=C)OC;ZPNYPQFPBBAZAP-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56400;MM56400;C#CCOCC#CCO;NBOAJDBAOXSGSA-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56401;MM56401;C=C(F)C(=N)N;SPIQKOLBEYEDSR-UHFFFAOYSA-N;88.09;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56402;MM56402;C#CC1(CO)CN1C;MZDPWNHORMQOHS-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56403;MM56403;C=C(C=NNC)C(O)CC;OWCGTXGAGOBOAZ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56404;MM56404;CNN=CN(O)C=CC#N;VKIVQASWOHDNMX-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56405;MM56405;N=CN(N)C=N;HQCUCGDNCBEHBD-UHFFFAOYSA-N;86.1;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56406;MM56406;CCC(O)C(N)C=CF;SJKLVFWWJWPJGI-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56407;MM56407;C#CC#CCN;HBHNOOGQTIDKQX-UHFFFAOYSA-N;79.1;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56408;MM56408;C=NN=CC(C)(C)N;ZPHCIXTYWBTTLV-UHFFFAOYSA-N;113.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56409;MM56409;N#CC#CCNC=NO;NDYLLMGKMNIXQL-UHFFFAOYSA-N;123.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56410;MM56410;C=CC(O)CC=NNC;BAMKBBDXTMYYNN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56411;MM56411;O=CC#CCOC=NO;IWXCUYOATHNZNY-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56412;MM56412;N#CC#CCOC=NO;QMSADLOOUARAQW-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56413;MM56413;C#CC=CC(N)C#C;WAGRTTHZKUZYME-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56414;MM56414;C#CC#CCOC=NO;KAQPETOJUUVOOU-UHFFFAOYSA-N;123.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56415;MM56415;C=C(C#CCN)OC;XLVUDXXJTOZHFC-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56416;MM56416;CNN=CC#CCN;FRNNMHSKLBSITO-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56417;MM56417;C=C(CN(O)C=NN)OC;NAFIXMUXZFJLKT-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56418;MM56418;CC=C(C#N)NC(=N)N;JRRBZGHMVJHBCT-UHFFFAOYSA-N;124.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56419;MM56419;C#CC(=N)N(N)C(C)C;JPCSECRNSRBPHA-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56420;MM56420;C#CCNCC(=C)C=C;RHNFKVPZSQAXGV-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56421;MM56421;CCNN=CC#CCN;XOELGGVCFBQUIC-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56422;MM56422;N#CCC(=N)NN=CCO;TVOWHHCSAQUPBK-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56423;MM56423;C#CC(=NC)NN=CCO;AZAANXGQAXAISO-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56424;MM56424;N=CN(N)C(=O)CN=CN;WOGADAAXDFWFSN-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56425;MM56425;C=CC(CO)N(C)N=CC;FDPGHWJLTZFQSK-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56426;MM56426;C=C(C=NNCCC)CO;YUZZKFWUJDOCQL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56427;MM56427;CCC(C)=NNCC(C)O;DTTCVUFTBAFIPO-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56428;MM56428;CC#CC(C)(N)C(F)CN;ZCBJNICDVCFOED-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56429;MM56429;OCC=COC=CCO;NYGDGWBORLPEAB-UHFFFAOYSA-N;130.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56430;MM56430;C=C(NC=N)OC(=O)OC;BRNPIWNPPDHQDF-UHFFFAOYSA-N;144.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56431;MM56431;COC=COC=CCO;BJRJOBYSKPTSKR-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56432;MM56432;COC=COC=COC;FJUZLASLOXMNBC-UHFFFAOYSA-N;130.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56433;MM56433;CCC(NCC#N)C(N)=O;TVCKRWMFZIHJDF-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56434;MM56434;C=CC(C=NNC)CCO;XWRXFIDNZUSRGW-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56435;MM56435;CC(CN(C)C)=C(F)CN;HOIXNGAXHDZANI-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56436;MM56436;CN=C(NO)N(N)CCO;ODEBVRQTQPTYQJ-UHFFFAOYSA-N;148.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56437;MM56437;CC(C)NN=CC#CCN;YLODZHBZKPFUDJ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56438;MM56438;CN(C)C(=NN)NO;SDYNUOWAOQGVAE-UHFFFAOYSA-N;118.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56439;MM56439;C=NOC(=NNC)NC;LEVFTJTZVSUPFT-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56440;MM56440;CC#CC(N)C(F)CNC;WQKJCWWFFXJBKV-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56441;MM56441;C#CCC#CC(C#N)NC;KTPUQOXELFSZQB-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56442;MM56442;CC(=CF)NC(=N)NO;XWPBWDCIHCWQAT-UHFFFAOYSA-N;133.13;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56443;MM56443;C=C(C#CCN)C(=O)OC;TUBMWQPZNUQGSF-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56444;MM56444;CN(C)C(C=O)=NN=CN;VHWSJVKQWMHQNV-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56445;MM56445;CN(C=O)N=CC#CCN;IMAOTQOWZBFETH-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56446;MM56446;COC=CN=CNC=O;ZYOJFKWCDNVBEN-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56447;MM56447;C=CCC(=C)C(=N)NC=O;BQYJCCDNGPNWBB-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56448;MM56448;C=CC(=NC(C)CO)NN;IWQADFMNTLDCFT-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56449;MM56449;N#CCC=CC(=O)NC=N;QRLJFFYQJDFMSJ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56450;MM56450;CC(C)=CC(=O)NC=N;IVTHNKLOGJVBOJ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56451;MM56451;CNN=CN=CNC=O;HMHGHQYWFMUWRI-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56452;MM56452;C=C(C=NN)N(O)C=NN;VXNNEYIIVRXXBS-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56453;MM56453;CN(O)C(=N)CC=CC=O;LCVKCUZQWKKYBZ-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56454;MM56454;CN=C(C)NOCCO;XTBNTVKHKWLNNB-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56455;MM56455;CON=CNN=CC#N;JVGHJAKWAPLJQD-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56456;MM56456;COCON=C(C)NO;JANHHAHWAREYJP-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56457;MM56457;CC(C)=C(C=NN)CO;VENQOSFGAMFDOQ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56458;MM56458;C=CC(C=NN)C(C)O;ULWCLENMKFNBEZ-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56459;MM56459;O=CNC=NN=CCO;MPJFDYJCSCPJRQ-UHFFFAOYSA-N;129.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56460;MM56460;C#CC(C)(C#C)C(N)CO;IKDDNGHJKBYGOY-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56461;MM56461;O=CNC=NN=CCF;RCBIBXXBQGVIRK-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56462;MM56462;CC(F)=C(C)C(N)CO;BRDJPUFDSONJEM-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56463;MM56463;CCC(=CF)C(N)CO;RKRWIWVDZDYBRN-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56464;MM56464;C=C(CO)CC=NN;RYFWAKGUSQMEBR-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56465;MM56465;O=CC=COC=CCO;DOJQUUFECWVEJM-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56466;MM56466;N#CC=COC=CCO;PIWPQGKHFQRTFS-UHFFFAOYSA-N;125.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56467;MM56467;COC=COC=CC=O;TUHMRTARZNRNOQ-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56468;MM56468;COC=COC=CC#N;IMXABUKROFTDJN-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56469;MM56469;C=COC=C(NC=N)OC;YDXBNRKLDKTXSY-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56470;MM56470;C=NN=COC=CCO;KCEUECPJQHBIHN-UHFFFAOYSA-N;128.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56471;MM56471;CCOC(N=CNO)=NC;ZCWUEBXGZRKTQG-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56472;MM56472;CCN=C(N=CNO)OC;GRNCZSLSQNCOHF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56473;MM56473;C=C(C)N(C=N)C=NCC;OETWHNCRGGRPCN-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56474;MM56474;C#CC(NC)C(C=C)OC;MTVQSPCUYOQQMI-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56475;MM56475;COC(=CF)N=CNC=N;ZQBPPJFHPRGONO-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56476;MM56476;C=C(C)C(C)=NNCCO;FNOQKRBIMSJQNN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56477;MM56477;CNN=C(C)C=CCO;UPVRZIQTBXDXCS-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56478;MM56478;CNN=CON=CC#N;QNAHCKQQLJHMTK-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56479;MM56479;CNCC(C)=C(C#N)OC;MUHWFVKRAKASLB-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56480;MM56480;CNN=CC(C)(C)N;PJODNEDNCXNJOF-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02741;MM02741;CON=CON=CC#N;NQFRJSICLYZKOX-UHFFFAOYSA-N;127.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56481;MM56481;N=C(C#CCF)NN;RNHHFLRQGVXGAK-UHFFFAOYSA-N;115.11;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56482;MM56482;CC=C(CF)C(N)CO;MQOOVXSBPPIROY-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56483;MM56483;CCNCC=NOC;SXNIDDZOCPPAKB-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56484;MM56484;C=CC=CC(CO)NC;YTZAVEJZHZXCOO-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56485;MM56485;C=CC(CCO)=NN;CHZRJZCLYNPIKK-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56486;MM56486;CN(C)N=CC(C)(C)N;QYOOKJITULYWJS-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56487;MM56487;N#CC=CCC=CC#N;IPYMLNDLBPEQAJ-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56488;MM56488;N#CC=CNC=CC=O;QGCFDLQRXQSRRM-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56489;MM56489;N#CC=CN=CNC=O;PKIKLWBZAUKRNL-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56490;MM56490;CNN=CCCO;NGSDPCIURSXQLW-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56491;MM56491;N=CN=CN=CNC=O;ZVLNTDSOTFIMEK-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56492;MM56492;O=CN=CN=CNC=O;MAZKSBKLCFZYRB-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56493;MM56493;C=C(C)C=CC(CO)NC;IWLLICUDFXHGLD-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56494;MM56494;C=NN=CN=CNC=O;IBKINZLCPMRMBC-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56495;MM56495;C=C(F)C=CC(CO)NC;QZUUZSDDJKJIBF-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03034;MM03034;N#CC=CNN=CC#N;DTFJXCYTPQKJOM-UHFFFAOYSA-N;120.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56496;MM56496;C=NNC(C)(C)CNC=O;PMWGZQXMJCXFAU-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56497;MM56497;N#CCC(=N)NN=CCF;JAFIZTPJMSRPGZ-UHFFFAOYSA-N;142.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56498;MM56498;O=CC=NN=CNC=O;UZQITLRRFZVQCR-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56499;MM56499;N#CC=NN=CNC=O;CJFGGAYENLXPTM-UHFFFAOYSA-N;124.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56500;MM56500;CC=NOC(=NNC)NC;OTTMIEAQDOSTDW-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01777;MM01777;C=NN=CNN=CC#N;ACYDYLZXQXQQTA-UHFFFAOYSA-N;123.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56501;MM56501;N#CC=COC=CC#N;WXQPJWMOXCKUBV-UHFFFAOYSA-N;120.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56502;MM56502;C=NN=COC=CC=O;XBRGSRWXBNCENY-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56503;MM56503;C=NN=COC=CC#N;RNSIHRJRFVOYTO-UHFFFAOYSA-N;123.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56504;MM56504;CCNN=CC(C)(C)N;PSUFBJARPZDPIV-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01884;MM01884;C=NN=CON=CC#N;YGBJQHQELAORDG-UHFFFAOYSA-N;124.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56505;MM56505;CC(F)CN=CN(C)N;UOHPBBVPQVLHFS-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56506;MM56506;COC(=O)C(=CNN)N=N;HABKLLOLQBKCHA-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56507;MM56507;CNNC(=N)C#N;QVLSSRUTGYDOEO-UHFFFAOYSA-N;98.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56508;MM56508;C=CCC#CCNN=C;QFFOQZVKSAOKRG-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56509;MM56509;C#CC=NN=CNC=O;VAMANZMRRZDADG-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56510;MM56510;CCN(CCO)CC(C)O;KYOOVMQHUPHBNL-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56511;MM56511;C#CC(N)C(C)(C)OC;HURSVCZFHARVIN-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56512;MM56512;CONC(=N)C=C(C)CO;PTLXCCILMHQVGD-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56513;MM56513;C=NOCC(N)C(=C)C;QZVQPFNRTCRHQK-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56514;MM56514;C#CC(C)NN=C;OJYGZXVJBACZND-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56515;MM56515;CNCC(F)C(F)CF;YZBDJBUFEASBIZ-UHFFFAOYSA-N;141.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56516;MM56516;N=CN(C=NN)C=NO;YSCAWSQKMKQOCR-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56517;MM56517;N#CC=CCC#CCO;WKVFCTJJSRCKLF-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56518;MM56518;N#CC=CCC#CC=O;AWNSYCSZVPEYIS-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56519;MM56519;N#CC#CCC=CC#N;FJEKJVBWDADBAZ-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56520;MM56520;COC(=N)N(C)CCF;OTVHYIYPRGTMRR-UHFFFAOYSA-N;134.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56521;MM56521;N=CNC(=O)N(N)C=N;QCEQUTHVDPQQPF-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56522;MM56522;OCC#CCC#CCO;XWNGWHYODQWLMW-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56523;MM56523;N#CC#CCC#CCO;PILXCLAZLYREML-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56524;MM56524;N#CC#CCC#CC=O;LCNMQGHJCMTLBF-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56525;MM56525;N#CC#CCC#CC#N;CVDASCXMYJLDPU-UHFFFAOYSA-N;114.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56526;MM56526;CC=C(C)C(=N)NC=O;SRIYAGYLHDNFIG-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56527;MM56527;CC(C)=C(CN)OC=O;NUZHDPMXJWUNQN-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56528;MM56528;C=CCNN=CC(C)(C)N;NUZDRDCMAJCPNX-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56529;MM56529;CC#CC(F)(CN)C(C)N;GCOOGAHGVCHWRG-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56530;MM56530;COC(=N)NC(C#N)C#N;VVRGPMRJEMZJRJ-UHFFFAOYSA-N;138.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56531;MM56531;C=CN(O)C(=N)C(N)=O;PGUOISFRHXOYPL-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56532;MM56532;COCC=COCCO;HJTXDQFLRVVUNW-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56533;MM56533;COCOC=CCCO;UTJYTDGBGKNIRP-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56534;MM56534;CN(C)CCC(N)=CC=O;IUNXWMCRQLDGOD-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56535;MM56535;COCC=COCOC;YRPQUJNENZRSSY-UHFFFAOYSA-N;132.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56536;MM56536;CC(C)NCC(=O)N(C)N;CJESRERECRVGIW-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56537;MM56537;CCOC=COCCO;YTHNRKLPSLWOCN-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56538;MM56538;CC(O)CN(C)CCCF;HAQKGXYKFRRZEW-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56539;MM56539;CON=C(C=NN)C(C)O;KBBZQIPTNMLZGY-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56540;MM56540;C=NNCCNCC(=C)C;VZTSBKCCNHSKLM-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56541;MM56541;C#CC(=NN)N(O)CC;JAJKHXNMWFUKGU-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56542;MM56542;C=CCNCC(C)NN=C;VJHKWHKYJSVVIF-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56543;MM56543;CCON=CN(C)C(C)=N;PACPTJZXXXBDQI-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56544;MM56544;C#CC(=NN(C)C)N(C)O;ZOHQQBWSCBCEQT-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56545;MM56545;CC=CC(=NOC)NO;FBRGYJRQCRJYGS-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56546;MM56546;C#CC(C=C)(CF)NC=N;FRLVSHCWUDLDEO-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56547;MM56547;C#CC(N)=NC=C(C)C=O;POFGEXXXLPYYKR-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56548;MM56548;C=NNCC(NC)C(=C)C;QDMGDVADCIRREN-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56549;MM56549;C#CC(=CF)C(N)COC;LSNIQIIAANWMFS-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56550;MM56550;CC(C)=NNC(C)CO;FZXPAXIMTQEQKV-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56551;MM56551;CC(=CCO)C(C)=NN;DCPMFFZXONKXBN-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56552;MM56552;CCCC(CCO)=NN;BWVIHAHKSXYRIQ-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56553;MM56553;C=NN(CC)CCC=O;ZTNKHCFODGLGSM-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56554;MM56554;C=NN(C)C(C)CC=O;YQOBHILPPCBLDG-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56555;MM56555;C=NNCC(C)C=O;BRLHIVMLCAXJGU-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56556;MM56556;CCNCC=NOCC#N;GDXMXDUZTKBLIF-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56557;MM56557;C=NNCCCC=O;DGBUDWPFTAUGFF-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56558;MM56558;C#CC(N)C=C(C)C;MNFRUDMEIQNTBF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56559;MM56559;CNCC(F)C(C)F;KPGGSVWZZAHUQA-UHFFFAOYSA-N;123.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56560;MM56560;C#CC(N)C(=C)C=C;JOYXXSHNLQZXNR-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56561;MM56561;C#CC(N)C=CC=C;ITNWKVRCJNJXQT-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56562;MM56562;CC=C(CN)OC=O;QXJYHKYSYAVENA-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56563;MM56563;CC(C)=CC(N)C(C)F;HTFMUJBQSKCYQT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56564;MM56564;CCOCC=CNC=O;MGRJBBDSMAENJX-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56565;MM56565;C#CC(=NN)C(C#C)=NN;RGUUCQMCUSROJB-UHFFFAOYSA-N;134.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56566;MM56566;C=C(CN)OC(=O)OC;HDJRTUGHXMFEML-UHFFFAOYSA-N;131.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56567;MM56567;C=CC(=O)OC(=C)CN;AYVXJESIKNHFPW-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56568;MM56568;CCCN(CCO)CCO;OZICRFXCUVKDRG-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56569;MM56569;CCOCC=NNC=O;GMGXNKLVLPAFMO-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56570;MM56570;C#CC(=O)OC(=C)CN;XRJWNWCHUPBUBW-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56571;MM56571;C=COC(C)(CN)CCO;MUGQNMBNRVXPHH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56572;MM56572;C=NNC(C)=NN(C)C;XKBIZXPWOBQZSB-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56573;MM56573;C#CC(=CNN)N=NC;OBIRFBPRYQWKLN-UHFFFAOYSA-N;124.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56574;MM56574;O=CCC=COCCO;ZHKKOOQZVOQGQR-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56575;MM56575;N#CCC=COCCO;FFASNAHJXXYDFW-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56576;MM56576;COCOC=CCC=O;AIDRZOVBUUJGBU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56577;MM56577;COCOC=CCC#N;QVZFECUYAGGJAE-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56578;MM56578;O=CNC=COCCO;PNXSXDHDZIFWPG-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56579;MM56579;C#CC(N)C=C(C)CF;AUFOLCXKSOGKPI-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56580;MM56580;COCOC=CNC=O;YOUNCQWEMXTKSV-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56581;MM56581;C=COC=COCCO;OIXCZHDGHUUDCF-UHFFFAOYSA-N;130.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56582;MM56582;O=COC=COCCO;KNPYASCTDCXMMD-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56583;MM56583;C=COC=COCOC;KEYFELUVCBMPRS-UHFFFAOYSA-N;130.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56584;MM56584;COCOC=COC=O;BWXQJCLEHRBVEU-UHFFFAOYSA-N;132.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56585;MM56585;C#CC(=CNN)N=NCC;MZAZGVHPLAMHCL-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56586;MM56586;CCCOC=NNC=O;CIYPIDRZVJRHNK-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56587;MM56587;CON=C(C)NOCC#N;MYYJZYYJUFRKAP-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56588;MM56588;C#CC(=CN)C(C)=NO;RLIRSDMKONNKEE-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56589;MM56589;C#CC(C#C)(CN)CCO;DMKIVLDTETUHSP-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56590;MM56590;O=CNN=COCCO;WOLDJTWIEJCRSY-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56591;MM56591;N#CCC(O)CNC=NO;YITMVLHOPIYHGQ-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56592;MM56592;COCOC=NNC=O;MFQLHNHGNAOFHW-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56593;MM56593;C#CC(=N)N=CN(C)C;ZGYWMMPNRKSUCV-UHFFFAOYSA-N;123.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56594;MM56594;CC=C(CN)OC(C)=O;YKEVOAVYCLNJJB-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56595;MM56595;CC(C)=C(C)C(N)CF;RKUYEOFMZQDBPM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56596;MM56596;C=CC(C)(O)C(C)ON=C;XJASDSDMHNBBPR-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56597;MM56597;C=CNC(C)=NNCC=O;YGDMGFFIHXYUIQ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56598;MM56598;CCC(CC)(CN)NC=O;UPRRUCRLNXDTSO-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56599;MM56599;CN(C)C(=CC#N)CO;OPIRCSZCAGCKCX-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56600;MM56600;CNC(=O)N(C=N)N(C)C;UXSDXMLNTCAQOU-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56601;MM56601;CNN=C(N)C(N)=O;JTVDQSANBLYQKC-UHFFFAOYSA-N;116.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56602;MM56602;CCON=CN=CNO;IZYUDKBNGQYEAZ-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56603;MM56603;CCCON=CN=CNO;LABNEYGCGOREML-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56604;MM56604;C=NOCC(C)CO;ROOFMYYNKBEXRZ-UHFFFAOYSA-N;117.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56605;MM56605;CC(C)N(C)C=NC=N;ZTPOFRLFIHMTGZ-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56606;MM56606;C=NOCCC(C)O;GOIZVSQEIKATPQ-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56607;MM56607;C#CC(C)NCCOC;SMLBOJRKGPMSNH-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56608;MM56608;NN=CCCO;OBSHNGCJZIBBGF-UHFFFAOYSA-N;88.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56609;MM56609;C=CCN=CN(N)CC;FYDUOMZEBTZGBA-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56610;MM56610;C=CC(N)C(C)ON=C;BBPLBWZCPVNTBU-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56611;MM56611;CC=C(C#N)N(C)C=N;GBFCXIQFRAXYEL-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56612;MM56612;C=CN(C=N)OCC#N;KGKQQCHZBDPVNI-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56613;MM56613;C=NNC(C)CC=O;JABJJVKEWLDZTL-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56614;MM56614;C=C(CN)OC(=O)C(=C)C;BQDLDIZPOSANIY-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56615;MM56615;C#CCC(=N)N=CN(C)C;PJJUCUYAIOQIQQ-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56616;MM56616;C=CC(C=O)CN(C)N=C;YBXWWDCMQKZCFL-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56617;MM56617;C=CCC(F)C(=N)NC=N;LJAXIZRKYWRNTM-UHFFFAOYSA-N;143.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56618;MM56618;C#CCC(=NC=C)NC=N;PDLPZJRXFPJDKS-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56619;MM56619;O=COCC=CCCO;JWCGFLSGWOGWDP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56620;MM56620;C=NOC(CNC)C(C)F;UOMVEKSDNJOHFM-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56621;MM56621;C#CC(N)(CC)C(F)CN;YWBYJRHXLZAXLF-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56622;MM56622;C=CC#CC(C#N)NC;UZHFAISFWOXPRH-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56623;MM56623;C#CC(C#C)(CN)N(C)C;FOSSKRDNHMLAAY-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56624;MM56624;O=CCOC=CCCO;RXJKBYCSUICNER-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56625;MM56625;COCC=COCC#N;HNHJBVISXMHQPL-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56626;MM56626;CCOC=COCC#N;KZUQHAUWQYVXDG-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56627;MM56627;CNC(C#N)C#CCOC;YCUFQGHQOAZPAL-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56628;MM56628;C#CCCNCC(=C)OC;NYWBJOYVRLMJKZ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56629;MM56629;CCNN=CONC=O;QJGRMAATPRMEQC-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56630;MM56630;CCON=CONC=O;OISWDZUAMMHLCF-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56631;MM56631;CNC(C)C=NOCC#N;GXHMRTPFYGVPOY-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56632;MM56632;C#CC(=NNC)N(C)OC;YMXPNDNGWVOBQI-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56633;MM56633;C#CCON=CC(C)NC;LLEFKBDRFUDXCF-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56634;MM56634;C=C(C#N)CNC(=N)C#N;LVBUWRQCPQTION-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56635;MM56635;C#CC(N)C=CC=NOC;DNTIAIRJHLRUME-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56636;MM56636;CC(=O)N=CN(C)C(C)C;HYXFCTDOGUXGBQ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56637;MM56637;C=CNC(=NC=N)OC=O;PFYCNLXTIZSKLS-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56638;MM56638;C#CC(N)C#CC#CCN;CZKZEWKCZBBUTF-UHFFFAOYSA-N;132.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56639;MM56639;C#CC(=C)C(=NC)NC=N;JFMAOCJAZXETSY-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56640;MM56640;COC(NC=N)=C(C)C#N;XVMPLLFRRDKBAS-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56641;MM56641;N#CCC=CCCC#N;UVTMCAPKASGKSN-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56642;MM56642;C#CC(=N)N(CC)N(C)C;WEORTEABFHVTMB-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56643;MM56643;N#CCCC=CNC=O;RWAXWWGNRGTIPI-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56644;MM56644;N#CCC=CCNC=O;BATPVPZXNAPLKZ-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56645;MM56645;COC(=O)C(CN)=C(C)F;DHPQWJNQIMLVGG-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56646;MM56646;CC(=O)OC=NN=CN;AYQAGDGJANKWHT-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56647;MM56647;N#CCCC=NNC=O;WTBVCGVDEMXPON-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56648;MM56648;C#CC(=NN=CNC)OC;XWPZASZNHRINEC-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56649;MM56649;C=C(C)CN=C(N)C(C)=O;IHFHSZZVBASAEB-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56650;MM56650;O=CNCC=NNC=O;FRLYHWVMFDXAKS-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56651;MM56651;CCNCC#CCCCO;ZIMVRCNRBTVUDW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56652;MM56652;C=NNC(C)CCC=NO;JRWMQPUFLRJUGG-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56653;MM56653;C#CC(C(=N)N)=C(F)C#N;ZFDFYUPDVUMPHY-UHFFFAOYSA-N;137.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56654;MM56654;N=CNC(=NN)NC=NN;NMWFXXKRPJUWPZ-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56655;MM56655;C=COCC=NNC=O;HHBHARFQMAKPRR-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56656;MM56656;N=CNC(=O)C(=NN)NN;UVCKYNZQCIJFRP-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56657;MM56657;C=CN=CNC(=O)NCC;UYNRUERIPUNPSM-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56658;MM56658;C=CC(NC)C(C)NN=C;NAGWRCBVHGKVOX-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56659;MM56659;C=COCCNCCC=O;QAQWBQWEFMZUTH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56660;MM56660;CNC(C=C(C)OC)=NO;IUFKBIIOTCTBMY-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56661;MM56661;N#CCNC=NNC=O;ITHMDSDWGANRQQ-UHFFFAOYSA-N;126.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56662;MM56662;C=CC=CC(=O)NC=N;JFNKXGRHJRYWAD-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56663;MM56663;O=CNN=CNOC=O;AISRKXZCNDMNTG-UHFFFAOYSA-N;131.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56664;MM56664;N#CCC=COCC=O;MLZQMOUDGUGDRC-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56665;MM56665;N#CCC=COCC#N;HOGGSQIPDPVBCP-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56666;MM56666;C=CC(N)C(C)F;WBLJAVNHTNHAMR-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56667;MM56667;N#CCOC=CNC=O;BSYGFHPZLFDVPM-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56668;MM56668;C=COC=COCC#N;ZZTZSMOFTBABIG-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56669;MM56669;O=CCOC=COC=O;HYECEUPPDYOPAP-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56670;MM56670;N#CCOC=COC=O;HBZZMUSWBOXKAT-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56671;MM56671;CC(=NO)NCC=O;ATUQMAOTOZUSTK-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56672;MM56672;C=CCOC=NNC=O;QDTOPVJWKHJDSZ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56673;MM56673;N=CNC(=N)NOC=NN;KIVCOBUEYVAUTN-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56674;MM56674;CC=CC(CC=O)NC;UISIJAMDTIXIHM-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56675;MM56675;O=CCOC=NNC=O;CJHJWGXOZMBFJG-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56676;MM56676;N#CCOC=NNC=O;QFODSRUSBPYRSX-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56677;MM56677;C=CC(N)C(F)CC;YRMDQJVEVIYZIE-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56678;MM56678;CN(C)C(=N)C(C#N)=CN;MDNWSCROMSXUSW-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56679;MM56679;O=CNN=CONC=O;HZGRQLCMIAQJNW-UHFFFAOYSA-N;131.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56680;MM56680;C#CC(N)C=CCF;PWQPRVAIWPGCEB-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56681;MM56681;O=CNOC=NOC=O;VQFQXKYLQYFIJM-UHFFFAOYSA-N;132.08;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56682;MM56682;C=CC=CNC=NO;VJKXDAFQKPFUDE-UHFFFAOYSA-N;112.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56683;MM56683;CNC(=NO)NN=COC;MRARICREMGOMQT-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56684;MM56684;N=C(N)C(=O)C(N)=O;HFYJHJZLDCSMLW-UHFFFAOYSA-N;115.09;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56685;MM56685;C=NNC(=NNC)C(=N)N;HXIJRZPCJXELIC-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56686;MM56686;C=C(OC)C(=NNC)NC;XABBPXXPIUFYCQ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56687;MM56687;C=C(NC=N)OC=NNC;IVVGBQUCVUXKEB-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56688;MM56688;CC(=O)NNCC(C)C;MCBNACCMKWNGMH-UHFFFAOYSA-N;130.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56689;MM56689;C#CC(=NN)N(O)C(=C)C;RKRIDBGEDPQCGN-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56690;MM56690;COC(=NN)NO;YLOOEQODCKMQLT-UHFFFAOYSA-N;105.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56691;MM56691;CNN=CN(O)C=COC;PJKMEWNKSXXWKR-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56692;MM56692;C=C(C=NN)C(C)O;ZCOAMZBDPDBALM-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56693;MM56693;COC(C)ON=C(C)NO;KUVMJHOOXCKSHX-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56694;MM56694;C=CC(=NNC)C(=C)CO;XQJVUVUHVNRMCC-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56695;MM56695;NN=C(NN)C(N)=O;POXMLDSRLRXVDF-UHFFFAOYSA-N;117.11;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56696;MM56696;C=NOCCC(=C)CO;SEQDQHCJNYZZBL-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56697;MM56697;C=CC(C=CF)NC;TUSXVCVPDISKTO-UHFFFAOYSA-N;115.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56698;MM56698;C=CC(C=C)N(C)C;WOTUHOHOZNZFJA-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56699;MM56699;C=C(F)C(=N)NC(C)=N;QKCPOYDOQZETOW-UHFFFAOYSA-N;129.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56700;MM56700;C#CCNC=NNC=O;SRZQAGCKVNMWCF-UHFFFAOYSA-N;125.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56701;MM56701;N#CCN(C=O)NC=N;CJQOFMINBZRFMY-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56702;MM56702;C=CC(C)(C=O)N=CN;IFVFYGJTJATUEQ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56703;MM56703;C#CC(N)(C#CC)CN;ATFCLRPWZPBRED-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56704;MM56704;C=C(CN)OC(=O)CC;CDXFPYWOLUXSJK-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56705;MM56705;CC(C)=NN(C)CC(C)O;ZVHBFVYAVONIIO-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56706;MM56706;C=C(NC=N)OC=NN;BFCGNCMTWGWFBG-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56707;MM56707;C#CC=NN(C=N)CC=O;OMEJSWBTAGXUPY-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56708;MM56708;CC(F)(CN)CC#CCN;FLNIBUSLVPMJLE-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56709;MM56709;C=CC(CO)CON=C;USKBFWPECMGMJK-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56710;MM56710;C=NN=COC(=C)CN;YXZRXCPDAYIORY-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56711;MM56711;C#CCOC=CCC#N;UOGWTTSTDMNYCJ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56712;MM56712;C#CC(N)C=CCOC;CVPANDVWVIXPOI-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56713;MM56713;C#CCOC=CNC=O;JMSHSNHJRDRWBM-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56714;MM56714;C#CCOC=COC=O;NKAWYIHLZYRFDM-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56715;MM56715;CNCC(C)NN=CCF;BKFMNEIAEADTCX-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56716;MM56716;C#CCOC=NNC=O;DSZFWBLUVMMQKT-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56717;MM56717;CC(=CCF)C(N)CF;DURFHPRHNRBRQK-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56718;MM56718;COC=NN=CN=CNO;VKPIEXAJKPSTTJ-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56719;MM56719;CCC(C)=NNCCO;DAHXLNCBDYSINC-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56720;MM56720;CCC(CC(C)O)=NNC;YETLKLLLPRZBQF-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56721;MM56721;CNC(=N)OCOC=NO;QISGFTBGUHWIEW-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56722;MM56722;C#CCNC=NCCF;BLFPVPOWUYBSJG-UHFFFAOYSA-N;128.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56723;MM56723;CC=CN=CNCC#N;QVESMLDSWRRKGP-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56724;MM56724;C#CC(C)(C)ON(C)C=N;KZXNKGVEJXPVRH-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56725;MM56725;CC(C)=CNC(=N)NC=O;AUAVOYLNFAGCGK-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56726;MM56726;CC=NNCC(C)(F)CN;NBBMCTLYSZFZCN-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56727;MM56727;CC#CC(N)C(C)(N)CF;AKMNWGFAMPYSDX-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56728;MM56728;C#CC(C#N)N(C=N)OC;KODABQFSEZFKHT-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56729;MM56729;CCCNC=NC=NO;ZMTBPXHRGJVZIX-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56730;MM56730;CC(C=CC(N)CO)=NO;UOKCCRJFDBXZPA-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56731;MM56731;C=NOC(=NC=O)NN;RAIYKFWHERJDEJ-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56732;MM56732;CC=NOC(=NC=O)NN;GVWVGLIEOJTDRL-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56733;MM56733;O=CCN1CC1;XZFVCAZDVJGIMM-UHFFFAOYSA-N;85.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56734;MM56734;CNC(C)CC(=NO)NN;YUOHZGPZUMOKSA-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56735;MM56735;OCCOC=CC=NO;HIYIKHBATAYZHQ-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56736;MM56736;ON=CC=COCCF;UIKLWQGULAQJDS-UHFFFAOYSA-N;133.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56737;MM56737;C=CC(C)(ON=C)C(=N)N;YTGGBOQMJUSGFK-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56738;MM56738;CC=NN=COCCO;AQJNHIZJNPJWHO-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56739;MM56739;CC(C=C(F)CN)N(C)C;AQQKAEJCVNIGLH-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56740;MM56740;C#CCC(=O)OC(=C)CN;WAWRUFXYURJWRP-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56741;MM56741;C=NN(C)CC(=C)CC=O;OEEDXTRPESSOFW-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56742;MM56742;CON=CC(CF)=NN;NNJQAKYLBOIVOP-UHFFFAOYSA-N;133.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56743;MM56743;CCCNN=CC=NO;VQBXLWPVDDSDLD-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56744;MM56744;C=NN(C)CC(=O)CC;DXJRVANAVAIYDB-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56745;MM56745;C#CC(C=C(C)C)NCC;RFDSRDVBKSWVRE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56746;MM56746;CON=CNC(=N)C(C)C;VSKIYERZMRMILN-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56747;MM56747;C#CC(O)(C=C)C(=N)N;UKLXQGZHNYIPSS-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56748;MM56748;CON=C(NC=N)NC=N;JQNFMEDYSAGZRA-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56749;MM56749;COCON=CC=NO;HMXXOWBRCDMTFL-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56750;MM56750;C#CC(CC=NN)NN=C;POMDPTIWGFPHQL-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56751;MM56751;O=CNCC=CC=NO;HXZBBXMKERCJJQ-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56752;MM56752;C=C(C)C(=NOC)C(=N)N;SBTFJJOVYXIOIF-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56753;MM56753;O=COCC=CC=NO;JIHALJPEOCYRFM-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56754;MM56754;C#CC(N)(C#CCC)CN;CLMKKWFNFFKVLK-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56755;MM56755;CCC(C#N)ON(C)C=N;LOKOYHCNIFPGMO-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56756;MM56756;CC=NN=CCNC=O;DCCIFFJFDAJXKJ-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56757;MM56757;C=C(CNC)C(C)=NO;HTNNVGYOCFXXKE-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56758;MM56758;N#CCNC=CC=NO;TXJCXTGBAWYFLY-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56759;MM56759;CCC(=NNC=O)C(=N)N;GCMBNNBYUCKUIE-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56760;MM56760;N#CCNC=NC=NO;ZEOVPXSBSILMPE-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56761;MM56761;C=NNC(C)(C)CC=NO;AXHOLABOEKPEML-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56762;MM56762;CCN=CNC(=O)NCC;DWSZUYQDTFYDTA-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56763;MM56763;N#CCOC=CC=NO;HEKZUPVMMDXRCG-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56764;MM56764;CC=NN=COCC#N;CQGRXWLYGZASSY-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56765;MM56765;C=NOCC(C)N=CNN;WGVBCYUKONBENK-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56766;MM56766;CC=NN=CONC=O;KYRSVTDMFKMZQU-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56767;MM56767;C=CCNN=CC=NO;OISRTMNWNQTUAC-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56768;MM56768;N#CCNN=CC=NO;OKPJFAGGXOKLQN-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56769;MM56769;C=COCC(=N)NC=NC;RCUNMEKPXXGZMS-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56770;MM56770;C=CCON=CC=NO;HASGORBCNJQSBS-UHFFFAOYSA-N;128.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56771;MM56771;N#CCON=CC=NO;LCNZERZHUHGFDV-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56772;MM56772;CC(F)CN(C)C=NO;FZMACWGJPMXGCJ-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56773;MM56773;CNN(C(=O)NN)C(C)C;UHNPWRBKLLLTCI-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56774;MM56774;C#CCNC=NC=NO;JCXPXUQHYQSLEF-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56775;MM56775;C#CCOC=CC=NO;ZIVPYJROCXAMMY-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56776;MM56776;COC(C)C(C)N=CNN;NXLIFGOENIPFNI-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56777;MM56777;C#CCNN=CC=NO;WMDIINATMACIPM-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56778;MM56778;NCC#CC#CC(N)CF;YMXXKOGQZKNJDZ-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56779;MM56779;CNC(=CC#N)NC(N)=O;CUYVZTRFIVXQDY-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56780;MM56780;C#CCON=CC=NO;ARQRFRCJELDHMV-UHFFFAOYSA-N;126.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56781;MM56781;C#CCC(=NC)N(C)NC;SHOLOZZEEILRBB-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56782;MM56782;C=NNC(CO)=NCCO;FLGFCGYJUQCZSU-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56783;MM56783;C=CN(C)C=NOC(N)=O;KAMGXJHOAIXCGE-UHFFFAOYSA-N;143.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56784;MM56784;OCCC=CCC=NO;BRXXIMJBAUHYGO-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56785;MM56785;C#CC(OC)C(C=C)NC;KBPYFXZUOLYAPH-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56786;MM56786;C#CC(CNCC=C)OC;LETBDPZCGATXOX-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56787;MM56787;NC1CC1F;TUKJTSUSKQOYCD-UHFFFAOYSA-N;75.09;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56788;MM56788;C#CC(N)C=C;HYLVUBKRKDGNNJ-UHFFFAOYSA-N;81.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56789;MM56789;C=C(F)C(C)(C)N;YPODGBVJJDHBTP-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56790;MM56790;CC(=NN=CN)OCC=O;IAMPPHRVUDKVRO-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56791;MM56791;CC(C#N)N=CNC=N;AZKCTEQMBRDMBF-UHFFFAOYSA-N;124.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56792;MM56792;C=CC#CC(=NN)NO;VYJRBVHAUGYFQS-UHFFFAOYSA-N;125.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56793;MM56793;CNN=C(NN)C(=O)NC;VLFOFVYLNXHVRQ-UHFFFAOYSA-N;145.17;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56794;MM56794;COCC=COC=NO;QNKSSVRSTIYSNX-UHFFFAOYSA-N;131.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56795;MM56795;CC=C(C=NN)CO;PFSJCQOQGTWSQA-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56796;MM56796;CCNN=COC=NO;DBEAOXDXXRZZSX-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56797;MM56797;CCON=COC=NO;GEBVIHJUOMRUOH-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56798;MM56798;CC=C(C=NNC)CO;PITPYLPGFBRLBD-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56799;MM56799;C=C(C)C(N)CF;MTPQBZDAIRXCKJ-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56800;MM56800;CC(=O)C(=CF)N=CNO;IWLAEGMMOXWUCS-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56801;MM56801;CCNN=C(NN)C(N)=O;FTZXMBBMYNUXQX-UHFFFAOYSA-N;145.17;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56802;MM56802;CCNN=C(N)C(N)=O;RWXWYGQNOMYICF-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56803;MM56803;C=CCC=NN(C)CCO;NESKUOSGQOGVKW-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56804;MM56804;CCNN=C(CC)CCO;IIFIQJPCRKRJAC-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56805;MM56805;CC(CCCO)=NN(C)C;WCHBAZIAIAKNQM-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56806;MM56806;C=CC(CC=O)N(C)N=C;DTHXJVUHUADPFC-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56807;MM56807;CNC(C#N)C#CCF;NXZZHJOXIGOKAY-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56808;MM56808;C#CC(O)(CN)C(C)C;GJQTVGZWWKBQDO-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56809;MM56809;C#CC(O)C(=CC=C)CN;IZKDALOHVZFFIA-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56810;MM56810;OCCC=NOC=NO;OBSFJIHJBJPMJU-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56811;MM56811;ON=CON=CCCF;DYBBEMMAYRWMMT-UHFFFAOYSA-N;134.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56812;MM56812;COC=CN(C=NN)OC;XTURVVRPXMJXBK-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56813;MM56813;COCC=NOC=NO;LHMZDTCCSRPBNL-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56814;MM56814;C=NN(C)C(C)C(C)=O;HHLJAYKLJNRRQU-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56815;MM56815;CCOC=NOC=NO;VXHHUTXPWBIYQX-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56816;MM56816;CC=CCC=CCC#N;PPWCZNFCSAJMBS-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56817;MM56817;C=NN(CC)CC(C)=O;ZQXQCBPZCFICSW-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56818;MM56818;C=NNCC(=O)CC;IZGURAQQMMEELY-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56819;MM56819;O=CON=CCC=NO;KCILENAYMMHXOB-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56820;MM56820;C=C(C#CC)N=CNN;AYNOEXNBPDZOMG-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56821;MM56821;CC(C)C#CC(C)(O)CN;KAQAQCJKDZVSQF-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56822;MM56822;CN(N)C(=N)N(N)C=O;FPKYYHAECGEZRR-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56823;MM56823;CCCC#CC(C)(O)CN;HZBZUNZLRVXWRU-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56824;MM56824;C#CCC(=NCC)NN;UJXYZZFFIIPBGQ-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56825;MM56825;CC(=N)NC(C)(C#N)C=O;XWKUHKLGHQTOCW-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56826;MM56826;O=CCC=COC=NO;CSDUGTHEUWSAFF-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56827;MM56827;N#CCC=COC=NO;KTZYYPCTRNKVSN-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56828;MM56828;CC(C)(F)C(C#N)NC=N;PLROHTVXMYGQOG-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56829;MM56829;O=CNC=COC=CF;YWRXEGNEJZBASN-UHFFFAOYSA-N;131.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56830;MM56830;C=NOC(=CNN)N=NC;HWHLRDQODXVDRS-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56831;MM56831;C=COC=COC=NO;XZBRCPIHJBNOIG-UHFFFAOYSA-N;129.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56832;MM56832;O=COC=COC=NO;QVASOYCVRGZSIE-UHFFFAOYSA-N;131.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56833;MM56833;CC=COC=NNC=O;PLDAQNHULQBDNX-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56834;MM56834;C=NN=CNCCC#N;JUONBPDHJYRHSM-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56835;MM56835;O=CNN=COC=CF;FVDKSYQDIVACSI-UHFFFAOYSA-N;132.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56836;MM56836;CC(O)(C#CCCF)CN;UUBGLNQZIHZAIC-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56837;MM56837;NN=COC=NNC=O;VPIMRSQQIZOZFM-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56838;MM56838;CN(C)CC#CC(F)CN;JTNPWCHMIQOSEW-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56839;MM56839;C=NN(C)CC(=O)C(=C)C;IINRSAYVCJVMBD-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56840;MM56840;CNN=CCNC(=N)C#N;NVVWRKRWXABDMS-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56841;MM56841;CC=NOC=NNC=O;ZCHZWHNMAJEDPW-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56842;MM56842;C=CNC(=N)CON=CC;IOGCGOXOTWDFEL-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56843;MM56843;C=NNCC#CC;DGKJRUFSOQCDTM-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56844;MM56844;C#CC(=C)C(N)=CC=NO;ILFHRLMAGHMWCS-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56845;MM56845;N#CCC=NNC=NO;CUPYAHFLKGSCID-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56846;MM56846;CC(C)CN=CNC(N)=O;ZEUHLGWRDRSNQO-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56847;MM56847;C=CC(C)C(=N)NC=O;STTMLQMIOPTVNS-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56848;MM56848;C=COC=NNC=NO;DPANBHDXTNORGK-UHFFFAOYSA-N;129.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56849;MM56849;COC(CC=O)=NN=CN;UAZJRGXXIIRIBR-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56850;MM56850;C=CCC=NOC=NO;KXJUGEPDVHYJTL-UHFFFAOYSA-N;128.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56851;MM56851;N#CCC=NOC=NO;VGRRDTQDTDHZGL-UHFFFAOYSA-N;127.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56852;MM56852;C=CNC=NOC(=O)NC;ANESONUKPBWGKG-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56853;MM56853;CC#CC(C)(O)CN;LIAUHDMPVFGTHI-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56854;MM56854;C=COC=NOC=NO;LUDGQJNBFSGBJK-UHFFFAOYSA-N;130.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56855;MM56855;CC(C#N)(CO)OC(=N)N;PKOKLTAKBLISBF-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56856;MM56856;C=NOC=NOC=NO;PMIZHHBQBSHMDS-UHFFFAOYSA-N;131.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56857;MM56857;C=NN(C(C)=N)C(=N)CO;DZBJVBHHRUZERE-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56858;MM56858;C#CCC=NNC=NO;ZIWRKERMTOHMAO-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56859;MM56859;C=CCC(O)CON=C;CBHJDLFPTJRVTN-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56860;MM56860;NNC=CC=NC=NO;QHOIIKWGSMTCFX-UHFFFAOYSA-N;128.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56861;MM56861;ON=CN=CC=CNO;FTFITUMTRKEWQE-UHFFFAOYSA-N;129.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56862;MM56862;C=NN=C(CO)OCCN;JUKHYGUFALDKLK-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56863;MM56863;CNN=C(CO)OCCN;OMXIQSPVOMDRPP-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56864;MM56864;C=CC(C)(O)C(N)C=CF;JPRSVQCGFKOJOI-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56865;MM56865;NN=COC=CC=NO;HURWICQREHPZKG-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56866;MM56866;NN=CC=COC=NO;PYGSIQHXZNQHOA-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56867;MM56867;C=CC(O)C(C=C)NC;QMZAKFBXLPNUQD-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56868;MM56868;CC=NN=COC=NO;LPEXLDZVGPGZQP-UHFFFAOYSA-N;129.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56869;MM56869;C=NN=C(N(C)C)N(C)N;XSDUHFYZEBNJBQ-UHFFFAOYSA-N;143.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56870;MM56870;C#CC=C(CN)C(O)C=C;MYINKAYDNZNMAF-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56871;MM56871;CN=C(CO)NN;JHRNXUIIZJFTIW-UHFFFAOYSA-N;103.13;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56872;MM56872;C#CC(C)(NC=N)C(C)O;LPNJUNWKGKEAAY-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56873;MM56873;CC(=N)N(O)C(C)C;BSGVUXBRUCIXSF-UHFFFAOYSA-N;116.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56874;MM56874;NC=CC=NOC=NO;ZWJIJVUGSWCCOS-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56875;MM56875;ON=CC=NOC=NO;JJWMNHMRLLKJGM-UHFFFAOYSA-N;131.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56876;MM56876;C=NOCC(C)(C)O;KOFGVGSFUBRKLQ-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56877;MM56877;CCCOC(=NN)NO;IZKMUCCUTHNUBX-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56878;MM56878;C#CCC(N)(C=C)CO;RVSDIGJKOZDSLS-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56879;MM56879;C=CCNC(=N)OCC#N;YZSLWKPRPQZSLP-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56880;MM56880;CCC=C(OC)N(N)C=N;GIUVTMUQGKLCHK-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56881;MM56881;C=NN=CC(CN)NN=C;VWDANHHVUUNQIT-UHFFFAOYSA-N;141.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56882;MM56882;C=C(C=NN(C)C)C(C)O;MOHXUFNNYCPFPH-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56883;MM56883;NC(CO)CO;KJJPLEZQSCZCKE-UHFFFAOYSA-N;91.11;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56884;MM56884;OCC=NN=CCCO;BGNYTTOCYXLEBI-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56885;MM56885;C=CC(CNCC)=NOC;VRWHQSNBZDPXAY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56886;MM56886;CNC(C)(C)C=O;HQQBABZBFYYAEM-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56887;MM56887;COCC=NN=CCO;LIAYMHAEWJMBCP-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56888;MM56888;C#CC(=N)NC=N;WIYNRIZKJIYFBJ-UHFFFAOYSA-N;95.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56889;MM56889;COC=NN=CCCO;XMBOEWDNPJWDKI-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56890;MM56890;N=CN(N)CC(F)F;VJYUGMCTGBGTQG-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56891;MM56891;COC=NN=CCOC;YMCTYFSJLZZDAE-UHFFFAOYSA-N;130.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56892;MM56892;C#CC(C)(C#C)N=CNO;PMGRNAZNUQTMES-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56893;MM56893;CCOC=NN=CCO;RTGYIWKGYRTQFX-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56894;MM56894;CCOC=NN=COC;RGUOBBDJNAJDFT-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56895;MM56895;CNC(=NC=N)NO;XUGZZBYCSCFDJC-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56896;MM56896;C#CC(N)(C#C)CN;AKBHPCNSBZSDBT-UHFFFAOYSA-N;108.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56897;MM56897;O=COC=CC=CCO;OJLBWIQQORHNOU-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56898;MM56898;CC=C(C#N)NC=N;KZXZKPBXGBSSGY-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56899;MM56899;C#CC(C#C)C(N)C(C)O;ADKOFQJEMYJHHY-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56900;MM56900;C#CC(C)=C(CN)C(C)O;OYVUSWPBOJIITG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56901;MM56901;CCNN=C(C)CCO;LCHNZTAJJVSRPO-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56902;MM56902;CNN=C(C)C(C)(C)N;GLCJEGVXKHPRBK-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56903;MM56903;C=NN(CC=O)C(C)C;SAFFKUQNPZRWFE-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56904;MM56904;O=CNN=CC=CCO;GDTRPSTUPOOPBQ-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56905;MM56905;C=NNCC(C)C(N)=O;KYFQMVZRFYIAEM-UHFFFAOYSA-N;129.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56906;MM56906;CCN(C)CC(F)CN;PHCUTJCASKZBPC-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56907;MM56907;CON=CC=NNC=O;AQSNJMASSSFWOC-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56908;MM56908;C=NNCCC(=C)C(N)=O;WUMIJENFPHGFEC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56909;MM56909;C#CC(C)ON(C)C=N;XHRZYFAATRTGGH-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56910;MM56910;C=NN(CC)CCC(N)=O;LUKGIZVGFUSSHA-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56911;MM56911;CC(O)C(N)C=CF;VCEMIDFIJGKRKK-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56912;MM56912;N#CCC=NN=CCO;URKWEGOQZQVUHL-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56913;MM56913;N#CCC=NN=CCF;XTXPTBDWYSNBRC-UHFFFAOYSA-N;127.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56914;MM56914;COC=NN=CCC#N;YVZWDKDGNBKMQT-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56915;MM56915;C=CCC(=O)ONC=NN;YTWQJUSIPZKZHD-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56916;MM56916;C#CC(=O)C(N)=NCC;IPWFXMKFLFSUCR-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56917;MM56917;NCCOC=NN=CCO;QDDMZTHRXKNAGO-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56918;MM56918;CN(C=N)C=C(F)C#N;DXCINNLMFJVACS-UHFFFAOYSA-N;127.12;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56919;MM56919;C=COC=NN=CCO;FMYONPLRVDEQRU-UHFFFAOYSA-N;128.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56920;MM56920;CCC(=N)NC=NOC;KSAVVNKGTNLCHD-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56921;MM56921;CC=CCC(=N)N(C)O;WNRJZOQPABLZKL-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56922;MM56922;C=COC=NN=COC;JHMTYALRMHDKEQ-UHFFFAOYSA-N;128.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56923;MM56923;C#CC(C)=CN=CNN;UKUJFRXOJIHAIP-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56924;MM56924;C=C(C)CNCC(C)(C)F;KMMLOFDDZRFPNY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56925;MM56925;C#CCC=NN=CCO;ZINCKIRKJPEHKR-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56926;MM56926;O=CC=NN=CCCO;QEHFZTSQNQGHFM-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56927;MM56927;CC(=NN(C)C)C(C)(C)N;VHOAQGNNVVPNGS-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56928;MM56928;COCC=NN=CC=O;WNFYEOBFEVOZSW-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01690;MM01690;COCC=NN=CC#N;JONGKQKQOCLKQJ-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56929;MM56929;CCOC=NN=CC=O;SBDYSZBLIVZKDX-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01560;MM01560;CCOC=NN=CC#N;QTFZYNOLQBAPSM-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56930;MM56930;CC(N)C=NN=CC(C)N;AVOGIEKRGVGPBE-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56931;MM56931;C#CCNC(C)C=C(C)C;VXWZJMCIHWISNQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56932;MM56932;O=CC=CC=CNC=O;GVGPEQHUMOJGSH-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56933;MM56933;N#CC=CC=CNC=O;IZVCJEDNJVBXJT-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56934;MM56934;C#CCNC(=NC=N)OC;AHYOQVHHKBRCTO-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56935;MM56935;C=NN=CC=CNC=O;YIUHPXCQFUAQMS-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56936;MM56936;C=NNC(C)C(C)=O;PKWXJXOTEYEEBJ-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56937;MM56937;C=NNC(=N)OCC(C)C;OEEFTWMMKZAHOY-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56938;MM56938;O=CC=CC=NNC=O;UFGUGARCMPEDDB-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56939;MM56939;N#CC=CC=NNC=O;SLQLLRCMDHUMHC-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56940;MM56940;C=NNC(=O)C(=NN)NN;RKHJUTAHXAEKLA-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01782;MM01782;C=NN=CC=NNC=O;BRAXEESTQQIQQJ-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56941;MM56941;N#CC=CCC(=N)NC=O;IPSBCRLYGDLEDQ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56942;MM56942;N#CCC=NN=CC=O;YLUHGJDBRVOJCN-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15448;MM15448;N#CC=NN=CCC#N;IMKRUNTYISQLCZ-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56943;MM56943;COCC=CN(C)C=NO;LUHKWSRZNYUGRO-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01873;MM01873;C=COC=NN=CC#N;RLTUIQUGAPEPAN-UHFFFAOYSA-N;123.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56944;MM56944;CNC(C)(C)C(=O)C=CN;JKTIBGLAZMZFKV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01878;MM01878;C=NOC=NN=CC#N;BWIMBCLKVYKWAD-UHFFFAOYSA-N;124.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01563;MM01563;C#CCC=NN=CC#N;WETBWBXTZGUQPO-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56945;MM56945;COCC(C)(C#N)NC=N;SAQSEHCXFBVBPZ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56946;MM56946;C#CC=NN=COCC;MQDACQJPCHXUBY-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56947;MM56947;CC(C)(F)CC(=N)NO;YQTXOSJFUCSIIA-UHFFFAOYSA-N;134.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56948;MM56948;C#CC=CC=NNC=O;YFZYMPWVVOJKJG-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56949;MM56949;C#CC=NN=CCC#N;WWXZSOXRUSJRCW-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56950;MM56950;C=CNC(=NO)NCC#N;MDWGXVOIMHNZQN-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56951;MM56951;C=CC(C)(O)CON=C;KBWPCYZIUSCVPF-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56952;MM56952;N#CC(=N)NCC(F)C=O;RYSYPETUZFPDCL-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56953;MM56953;CON=CC=CC=NO;OILYVYXEQNKRIF-UHFFFAOYSA-N;128.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56954;MM56954;C=CNC(=N)C(C)ON=C;LDLVNCQDNLJEQO-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56955;MM56955;C=CCCOC(=NN)NO;IPIRUYFYPXXRIV-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56956;MM56956;CNCC(=CC#N)COC;QXNNJNPZYGJDGI-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56957;MM56957;C#CCCOC(=NN)NO;LZZLGHGVWDKPBV-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56958;MM56958;COC=NN=CC=NO;BOXLQSISIIWTEV-UHFFFAOYSA-N;129.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15392;MM15392;N#CC=NN=CC=CN;ZELZLGGPMGUUIN-UHFFFAOYSA-N;122.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56959;MM56959;C#CC(CC)ON(C)C=N;TZQGSTYZJUONLI-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56960;MM56960;C#CC(=N)N(N)C=CC=C;ZMEGBVJCSJXBTL-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56961;MM56961;CC#CC=CC=CCC;IHFMDIQLYBRCAC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56962;MM56962;C#CCON=CC(=N)NC;RLZBCGMZVDUXLA-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56963;MM56963;CCN(O)C=NC=NC=O;IKLHRFRDZDSIDW-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56964;MM56964;C#CCCC(=NOC)NO;YSHWGTPTJPWOFC-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56965;MM56965;COCC=CC#CCO;VRDHJIJDJWBYLH-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56966;MM56966;C=CC(=NOC)C(C)NC;NGVNODDBEBIMKY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56967;MM56967;C=CC(C=NN)CO;KVZYVVJRHHFHSE-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56968;MM56968;N#CCC=CC#CCO;VTQOJBVGXUYEQA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56969;MM56969;O=CNC=CC#CCO;VLLMZCSAJIDJRQ-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56970;MM56970;O=CNC=CC#CCF;OQWDVRVTCHICBL-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56971;MM56971;CC=C(COC)C(=N)NO;AEJKRCAAUZJCFC-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01576;MM01576;CCC#CC=NNC=O;PIZLUTKRLCPLSC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56972;MM56972;C=C(F)C(N=CNO)=NN;KJRMIPOPQCOTEK-UHFFFAOYSA-N;146.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56973;MM56973;C=CNC=NN=CCCO;FMATYCVJFNHTLI-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56974;MM56974;CCC(=COC)C(N)CO;IBPFPBVWHWRTAQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56975;MM56975;O=CNN=CC#CCO;VEJPLQYDPDNEBF-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56976;MM56976;C=NOC(C)CCO;WMXPUXPEKXQYGA-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56977;MM56977;N#CC#CC=CCCF;ZQIYOICKXHHVGB-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56978;MM56978;N#CC#CC=CCC#N;VJDVWMXQCAXUIH-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56979;MM56979;C=CCNC(C=C)C(=C)C;LDXCDPXPFUQKNN-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56980;MM56980;C=CC#CC=CNC=O;IRMBBZFZJBTUSM-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56981;MM56981;N#CC#CC=CNC=O;XHDDCONLHXPSHN-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56982;MM56982;N#CC(C#N)(C#N)C(=N)N;KXRYWWFXOBUZER-UHFFFAOYSA-N;133.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56983;MM56983;C#CC(C#N)N(C)C;LGROLKXWMJOPLJ-UHFFFAOYSA-N;108.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56984;MM56984;C#CC=CC(N)CO;FJYHHXHRKGSVRK-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56985;MM56985;O=CC#CC=NNC=O;JHXKYUWZWWBNAV-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15388;MM15388;N#CC#CC=NNC=O;SPCZHJAVKKFCAL-UHFFFAOYSA-N;121.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56986;MM56986;C#CC#CC=CCC#N;PIRQBIBIZBJESF-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56987;MM56987;C#CC#CC=CNC=O;LCGDIDXCPSZHOP-UHFFFAOYSA-N;119.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56988;MM56988;N#CCNCC#CCC=O;BXVXQMIMRKJWMI-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56989;MM56989;C#CC#CC=NNC=O;JBCYELUPUUGPCD-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56990;MM56990;C=CC(=NN)NN=C;KWFUEGCEZGESJC-UHFFFAOYSA-N;112.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56991;MM56991;OCC#CC=CC=NO;PJILGTKPGKYCPR-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56992;MM56992;CN(C)CCCC#N;HCLFLZTVKYHLCF-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56993;MM56993;CC=NN=CC#CC=O;JFRVYDZSNAYVEY-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56994;MM56994;CNCC(C)=NOC;LEPPZLVZRQJEBP-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56995;MM56995;C=NNC(=N)OC;XCQNPNWWNHBINN-UHFFFAOYSA-N;101.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56996;MM56996;C=NNC=NC=COC;WUIXRANRUUOKNI-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56997;MM56997;OCCC#CCCCO;UNNCFXYLNBBFGH-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56998;MM56998;CN(C=N)OCC#N;SLXLXHTYHSSQPL-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM56999;MM56999;CNC(=NN=CC#N)NC;KBOTZNNNMUGENH-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57000;MM57000;CN=C(C)NC(=O)C=CN;LNHUTZIMCRTXNW-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57001;MM57001;C#CC(=C)C#CCN;KLXOEAKKHWPRKF-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57002;MM57002;C=COCC=CNC=NO;XXQUFIVKQWBVGP-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57003;MM57003;C#CC(C=C)NCC;XWZHNUSJSWDZHW-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Oct-3-ynenitrile;MM01593;CCCCC#CCC#N;QXOVPQOXKBDMKE-UHFFFAOYSA-N;121.18;2.09;13378968;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57004;MM57004;N#CCC#CCCCO;ISQHEGACVFFYPH-UHFFFAOYSA-N;123.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57005;MM57005;N#CCCC#CCCO;CDZPRSXRSSUIFT-UHFFFAOYSA-N;123.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57006;MM57006;COCC#CCCC#N;XSJHVCDDSROSCG-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57007;MM57007;CCC(C)(N)C=NNC;KUJREGZFLJWMTN-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57008;MM57008;O=CNCC#CCCO;QGMUFQLMOCYZJN-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57009;MM57009;NC(C=CC#CCF)CO;FOLONUQRZLQJTI-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57010;MM57010;C#CC(=NC(C)C#N)NO;JGJMVEJUUJILKZ-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57011;MM57011;C=C(OC)N(O)C=NN;NGXCTAGEXFAITL-UHFFFAOYSA-N;131.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57012;MM57012;C#CC(N)C(C)=CCF;REPZEHMBYXWKAE-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57013;MM57013;C#CCC(=NC=C)NN;JXWALPXFVBIKDF-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57014;MM57014;CN=C(C=CF)NC=N;WKTFBATYZVBVIS-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57015;MM57015;C=C(C)N(C=N)C=NC;OVNSBMSBEAUIOD-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57016;MM57016;C=NNCC=CNC(C)=O;LWWOHLITXCANKR-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57017;MM57017;N#CCC#CCCC#N;NMFDMGDTHJJAGS-UHFFFAOYSA-N;118.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57018;MM57018;C=NNCC=C(C)NC=O;HEZHVPSDMDNAML-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57019;MM57019;N#CCC#CCNC=O;XBLMOLCFHKJRAA-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57020;MM57020;C#CC(=NN)N(O)CCC;LBAZCJIKOPQLFI-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57021;MM57021;CNC=NN=C(NO)OC;GULNZXNOHZDNLM-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57022;MM57022;C=CC(O)CC(C)=NN;VWKBURGVRDKOGJ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57023;MM57023;C=CC(C)(N)C(=C)CO;VCRHQCBOHVAMQV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57024;MM57024;C=CC(C#CCN)=CF;WZSUOYICKVWHMQ-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57025;MM57025;CC(O)CN(C)C;NCXUNZWLEYGQAH-UHFFFAOYSA-N;103.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57026;MM57026;C=CC(CO)NN=C(C)C;ORUKSKDZRSDDKD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57027;MM57027;C=NNCC#CC=NO;YVCAKJJRLVQWHP-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57028;MM57028;CNCC#CC#CC#N;KKBJAFWTUGQMQU-UHFFFAOYSA-N;118.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57029;MM57029;COCC(F)(F)C#CCN;SSIFHRCFGTWFPS-UHFFFAOYSA-N;149.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57030;MM57030;CNCC(C)=NOCCF;NVQOTGZBBXWVIS-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57031;MM57031;C#CCCC#CC#CC;RONSMYFBJQLWJE-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57032;MM57032;OCCC#CCC=NO;IBVLSPQOSOAXBB-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57033;MM57033;C=C(C)C(=C)CNCCO;GRNAMKATZUGBGZ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57034;MM57034;C=CCON=C(C)CNC;DEOMEBGUBNJJSE-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57035;MM57035;NN=CCC#CC=NO;ZXRBAVFRWOETIJ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57036;MM57036;NN=CC#CCC=NO;QZDGCWPTRMSLKQ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57037;MM57037;ON=CC#CCC=NO;DXDVMZBRQYBUST-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01584;MM01584;CC#CCC#CCC#N;SRMZCTBUUZPEHD-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57038;MM57038;C=NOC(=O)C(C)N=CN;LOYVDVYXENSCEH-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57039;MM57039;CCC(C)(CN)NC(C)=O;PGFDVUDKVAMBJP-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57040;MM57040;OCC=CC#CCCO;CIWJACRJFBQHCF-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57041;MM57041;CC#CC(=N)N(C)N(C)C;DJQAHZICDKQNQU-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57042;MM57042;C=COCC(CC=O)NC;DFXNVJJJCKFBSJ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57043;MM57043;COCC#CC=CCO;IYYDZUWIJVVAQU-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57044;MM57044;C=COC(=CC=O)CNC;BJXGAPAQLNTIGH-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57045;MM57045;C=CC=NOCCO;BUKMSEKVKMZFLZ-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57046;MM57046;CN(C=N)C=NC(=N)CF;FLLPOVUFKOVAIY-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57047;MM57047;CN=CNC(=N)C=COC;SNSCAHIOCZMCMY-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57048;MM57048;C=NNCC(N)C(C)=CF;WGRFRRLDRORWCW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57049;MM57049;CC(O)C(C=NN)C=NN;DLKFGHRJVCDGPP-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01800;MM01800;CNN=CC#CCC#N;BULAVBDKTCAOEE-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57050;MM57050;COCC=CNC(=N)OC;BNYCSGZSPGNNNM-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57051;MM57051;C=CCON=CC(=N)NC;AMUGGWSOTSEULF-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57052;MM57052;C=CC(N)C(CF)NN=C;JRQVZMOZTZOMSU-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57053;MM57053;N#CC=CC#CCC#N;CTNWRGUKNRKHGQ-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57054;MM57054;CC=CC(NC)C(F)CN;TXTSBISRBLHELV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57055;MM57055;CN(N)C(=O)CN=CN;AUUWBGMAURLICJ-UHFFFAOYSA-N;130.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57056;MM57056;CCCNC(C)(C)C(N)=O;MELSQWUWWXNKSB-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57057;MM57057;OCC=CC#CC=NO;MVAVJZRNAAXUKO-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57058;MM57058;C=NOC(CF)CNCC;DRQVMLYCVBJRQL-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57059;MM57059;CN=CNC(C#N)CCF;CIKCNOVDZSKCOK-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57060;MM57060;CNN=CC#CC=NO;PGUSAZGEKCYFCV-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57061;MM57061;N#CCN(C=N)C=CCF;HIKWVEHVBZZQCT-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57062;MM57062;CON=CC#CC=NO;FJGUSXOWROZBIW-UHFFFAOYSA-N;126.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57063;MM57063;N#CC=CC#CC=NO;CRVVLEGIDAVPRF-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57064;MM57064;C#CC(CN)NN=CC=C;QVDIBRZYMXXPMS-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57065;MM57065;CC#CC#CC=CC#N;HRYIDPFYQGAUOS-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57066;MM57066;C#CC=CC#CC#CC;MKSUCDICDXDWBX-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57067;MM57067;C=C(OCC)N(C=N)NC;NJKTVRPPZIIYMK-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57068;MM57068;C=C(C=NNC)C(=C)CO;DIWNXGFNYPJEPA-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57069;MM57069;OCC#CC#CCCO;QWHOCQUSTOFUHL-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57070;MM57070;CC(C=CF)N(C=N)C=N;IOYHPUUTJUUEHN-UHFFFAOYSA-N;143.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57071;MM57071;CNC(=N)CF;JOCISEYCNIRMLH-UHFFFAOYSA-N;90.1;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15339;MM15339;C=CCC#CC#CCO;XRUAYYJICOVXBE-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57072;MM57072;N#CCC#CC#CCO;ZFLRKBMHWCETKF-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57073;MM57073;C#CC(N)C(=C)C;SJZOKZAXHMMYBA-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57074;MM57074;CCCC#CC#CC#N;NMIVSSOKPAJJTA-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57075;MM57075;O=CC#CC#CCCO;REYJLTQNEWICGJ-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57076;MM57076;N#CC#CC#CCCO;KMWIHFSQNZGOND-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57077;MM57077;N#CC#CC#CCCF;LCMCLHXPKKYDTD-UHFFFAOYSA-N;121.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57078;MM57078;C#CC(N)C(C)=CC;GJJLBMSNTUKJEM-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57079;MM57079;CC=C(F)C(=N)NC;KGGLDVWMTMYEBT-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57080;MM57080;C=CCC#CC#CC=O;RDEYBWHGJSRHQK-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57081;MM57081;C=CCC#CC#CC#N;TUGFOVWULFHXHC-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57082;MM57082;N#CC#CC#CCC=O;ZVIUAXJFNOKBKI-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57083;MM57083;N#CC#CC#CCC#N;XDDUAIUZBXCNOI-UHFFFAOYSA-N;114.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57084;MM57084;C#CCC#CC#CC=C;KLVNXONQCDYGRL-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57085;MM57085;C#CCC#CC#CC#N;IUZAUESZHFLGGG-UHFFFAOYSA-N;113.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57086;MM57086;C#CC#CC#CCCC;PMFKGVLKDJUFBM-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57087;MM57087;CCNCC(F)CF;JITQOESBADEPST-UHFFFAOYSA-N;123.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Octa-3,5,7-triyn-1-ol;MM01569;C#CC#CC#CCCO;UKLDABCYBVVGHL-UHFFFAOYSA-N;118.14;0.01;85868636;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57088;MM57088;CNC(=N)C=NOC;ISEMLHKICZBNRJ-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57089;MM57089;C#CC#CC#CCC=C;RLIVHXSNFDLXBY-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57090;MM57090;C#CC#CC#CCC=O;FZFLMSKLRRJTQH-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Octa-3,5,7-triynenitrile;MM01594;C#CC#CC#CCC#N;BVCCXVOWEVYSDS-UHFFFAOYSA-N;113.12;0.54;102016002;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57091;MM57091;C#CC#CC#CCC#C;QLZJJIQGQWVYKL-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57092;MM57092;NN=CC#CC#CCO;YMSRQZKIJADCMX-UHFFFAOYSA-N;122.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57093;MM57093;OCC#CC#CC=NO;STRBFUPBLCJQJX-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57094;MM57094;CC=CC#CC#CC#N;FCFRWGOUSPOTPD-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57095;MM57095;N#CC#CC#CC=CF;OBLVXZBBGPXFST-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57096;MM57096;C#CC(=CF)CNC;WDNVIEIOICWEPZ-UHFFFAOYSA-N;113.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57097;MM57097;C#CC#CC#CC=CC;PGWSOYHDOIUWNW-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57098;MM57098;CC=C(C)NC(=N)OC;NCYXMEIMIDRHIY-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57099;MM57099;CC#CC#CC#CCC;LAFARGHUQPYMAG-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57100;MM57100;CN(C)CCNCCF;GGHYRKVKDMOKDB-UHFFFAOYSA-N;134.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57101;MM57101;C=CC#CC#CC#CC;CTMHMXBTJQVVEE-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57102;MM57102;CC#CC#CC#CC#N;DHPXVNMVXDJNGW-UHFFFAOYSA-N;113.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57103;MM57103;C#CC#CC#CC#CC;WZZXZKDJDUNZAG-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57104;MM57104;N#CC1C(C#N)C1C#N;PFELXNDUIHQHHE-UHFFFAOYSA-N;117.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57105;MM57105;C#CC1C(C#C)C1C#N;DRYNUXINUACTRE-UHFFFAOYSA-N;115.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57106;MM57106;C#CC1C(C#C)C1C#C;XJMSCXFPIZRIEQ-UHFFFAOYSA-N;114.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57107;MM57107;CC(F)=C(C)C#CCN;BTEVPRMIRABPFC-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57108;MM57108;C=NOCC=CC(C)O;QZPJMFIQGFHJRB-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57109;MM57109;C#CCNCC(C)OC;ULQBHKRLFVXYIR-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57110;MM57110;CC(CC(C)O)=NN(C)C;RDAMTIJFKJSRAV-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57111;MM57111;CCON=CC(=N)NC;JVZZJMJFMKEHSW-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57112;MM57112;CNC(=N)C(C)=NOC;OBUFESZJPLVDRU-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57113;MM57113;C#CC(C)(O)CC(C)(C)O;MNBJYFJWODFTFO-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57114;MM57114;CCC(CNC)=NOC;BRIFNNOWQDABON-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57115;MM57115;C#CC(C#C)(CN)OC;RRJIKAONKSAQIV-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57116;MM57116;C=NN(CC=O)CC(=C)C;ZRIWQDBTJTZORV-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57117;MM57117;C=NNCC=CC(=O)NC;XUJCFMRJWDAHDI-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57118;MM57118;CCC(C#CCN)=CF;SPRSHGNRSGKCST-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57119;MM57119;C#CC(C)(N)C(C)(N)C#C;YHSNXTXGDSHFTO-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57120;MM57120;C=NNCC(=CC)C(N)=O;KMWADAXIVCJDDD-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57121;MM57121;C=NOCC(C)(N)COC;XFBVBXPVYLRVQB-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57122;MM57122;CNC(C)C#CCCCO;HEOINKCJJFEGIN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57123;MM57123;C=NNCC(C=O)NN=C;WOFJVENZGDVMBG-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57124;MM57124;N=CN(C=NN)OC=O;OHYAKEYKFDBRAN-UHFFFAOYSA-N;130.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57125;MM57125;CCN(C)CC(F)CNC;CKLZWSPAFXVWBR-UHFFFAOYSA-N;148.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57126;MM57126;C#CC=CNC(=N)NN=C;MOXWZDUHZLUVSP-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57127;MM57127;CCOC(=N)NCCOC;QPHOINOZMKXWDV-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57128;MM57128;CCCN(N)C(=N)C=CF;DQICMWJWRIGQJX-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57129;MM57129;CC=NN(C=NN)C(C)=N;UAJKOTRQHIYPPJ-UHFFFAOYSA-N;141.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57130;MM57130;C=C(C(C)N)N(C=N)C=N;OEYORQJJDANPQY-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57131;MM57131;CCC=NNC(=NC)NN;LDJMDJKFLXEWNO-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57132;MM57132;CCC(=O)C(=O)C(=N)N;WXUNSYPWGMOZQX-UHFFFAOYSA-N;128.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57133;MM57133;CCCC(=O)C(=O)C(=N)N;QICCLXHQMHFOPQ-UHFFFAOYSA-N;142.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57134;MM57134;C=NNC(=N)OCC;BLQCLAFQGCRHOQ-UHFFFAOYSA-N;115.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57135;MM57135;C=NOCCC(=O)CCC;NYBNPLUCZVRGTO-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57136;MM57136;C=CC(C)=NNC(=N)NN;CDUCLBLXNGWXFB-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57137;MM57137;CNCC(CCF)=NOC;NRWBVGFKIYXWHP-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57138;MM57138;C=NNCC(=CN)C(C)=O;AUMLLWICIFPIPV-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57139;MM57139;CCN=C(COC)NC=N;LNIQPRIEAPPUFB-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57140;MM57140;C#CC(OC)OC(=N)NC;ADEJPBOULKQZBB-UHFFFAOYSA-N;142.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57141;MM57141;C#CC(C#C)(CN)OCC;PKCBAFBFQGHTOB-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57142;MM57142;N=CNN=COCCN;WPHALLFPFJJDLY-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57143;MM57143;CC(=O)NN=CC(C)(C)O;IPDBGTBPPOLSFL-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57144;MM57144;C#CC(N)C(C)=CCCF;UETJOCQJFLNLLH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57145;MM57145;CC#CC(C=O)OC(=N)N;HZHRGCOYBOIOGT-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16498;MM16498;CC(C)(O)C#CCC(=O)O;MQHVDNUWCNGMNT-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57146;MM57146;C#CC=CC=NNC(=N)N;WEHFHABEUYUZCB-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57147;MM57147;CCON=C(C)C(=N)NC;VXWPTLQUBYTFRP-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57148;MM57148;CNN=CN(C)C;WFSNCCMMVPQYJP-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57149;MM57149;CC(C)(O)CC(O)CCF;ICPMINUVMOYYHN-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57150;MM57150;C=CCNC(C)=NN;SKABEGMFNDEDBD-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57151;MM57151;C=NNCC#CCNN=C;XHHQDRMTYFNMBK-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57152;MM57152;N=CN=CN(C=N)C=NO;DASADIRAKRATPV-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57153;MM57153;COC(=CC#N)N(C)C=N;UWWXACZLQDNMCN-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57154;MM57154;C=CCNN=COCCN;RNESLYADXYZRHI-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57155;MM57155;CCC(CNC)=NOC=O;GHFFVEHYEKBAOH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57156;MM57156;CC(C)(F)CC(O)CC=O;MPJVYINPODALHM-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57157;MM57157;C#CC(C#CC#N)C(=N)N;OYQUAPAPTMVXKG-UHFFFAOYSA-N;131.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57158;MM57158;N#CC=CC=CNC=NO;SPQGQWZSUAAFTL-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57159;MM57159;C=NNCCC(=C)C=NO;IWVWNKKXWDOUHZ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57160;MM57160;C=NN=C(NN)C(=O)NN;GDVSJRUKHVZNSI-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57161;MM57161;CON(C=N)C(N)=CC#N;MQEGAVDXIKKWSG-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57162;MM57162;CNCC=C(F)F;XOONKEOUKMGNRO-UHFFFAOYSA-N;107.1;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57163;MM57163;CCCN=CNC(=O)NC;ZLLJZPFTELIWNY-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57164;MM57164;N=CNC(=N)CF;HQFGOMBAPOFUPT-UHFFFAOYSA-N;103.1;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57165;MM57165;C=CCCN=CNC(N)=O;XZQQCTANJFWYFM-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57166;MM57166;CNC(=N)C(C)F;FRFFHMZQSAUTNS-UHFFFAOYSA-N;104.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57167;MM57167;COCC(=O)NC(C)(C)C;NSDAHTDQJNTXHA-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57168;MM57168;CCNC(=O)NC(C)(C)C;ASJNAIAPGATWLY-UHFFFAOYSA-N;144.22;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57169;MM57169;CCC1(F)CC1N;AMVBVCGPQSPKAF-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57170;MM57170;C#CC(C)(C=C)NC;SILMUABIHXZWAQ-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57171;MM57171;CNC(C)C(F)CF;MNMIHKGGMWJZID-UHFFFAOYSA-N;123.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57172;MM57172;CCNN=COCCN;JIBRUOPWGGMFTF-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57173;MM57173;CC(C)NN=COCCN;SDWZZHXZZDJVIC-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57174;MM57174;C#CC(F)C(=O)C(N)=NC;HPSSIZBAOPOOLC-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57175;MM57175;C#CCNC(C)C=C;PTGWCJOUXJEFTP-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57176;MM57176;CC(=O)NNC(C)(C)C;UEMLWDWHGITIEK-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57177;MM57177;C=NNCC(=CC)NC=O;WYKXWFCARMBREL-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57178;MM57178;CC(C)(C)OC(=N)NC=O;XKQZLWRLZOSBGQ-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57179;MM57179;CC(C)(C)OC(=O)NC=N;KGIHCIDSTZOVOV-UHFFFAOYSA-N;144.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57180;MM57180;C=CN(C=O)C(=N)N;DKNVDEMMTZRHHN-UHFFFAOYSA-N;113.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57181;MM57181;C#CCON(C)C=N;ADPXEDSFKKWHFC-UHFFFAOYSA-N;112.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57182;MM57182;C=C(C(C)=O)C(N)=NC;LOUCNZKIPCMHQZ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57183;MM57183;C=CC(O)C(=C)C=NNC;BZMYTJVYLMISCK-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57184;MM57184;CC(C)OC(=NN)NO;PLYRPVNOFVXWBF-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57185;MM57185;CC#CC(=NNC)N(C)O;SFHWXQFOIWCCPF-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57186;MM57186;C#CC(C)NCC=C;HEQLPQAWFLBWLZ-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57187;MM57187;CC=NN=C(NN)C(N)=O;WRKNMEUUMOREOS-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57188;MM57188;CC#CC(O)CC(C)(C)O;UTYWMJGWWBFOPT-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57189;MM57189;CC(C)(O)CC(N)=CC=O;MZSFTVUBFLUCQF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57190;MM57190;C=C(CO)CC(C)=NN;PGZVJSQDZVFVEK-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57191;MM57191;CC(C#CCN)=CF;PKNJWBZYCCGAEQ-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57192;MM57192;C#CCC(CO)CNN=C;LMYLEPCRLBGQLW-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57193;MM57193;N=C(N)C=NN=CCN;AENCLFQHRXTUSB-UHFFFAOYSA-N;127.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57194;MM57194;CC#CCON(C)C=N;LUVUNPHSHDMMRQ-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57195;MM57195;NCCOC=NN=CCF;HOAHNELAWVTJJB-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57196;MM57196;COCC#CC(=N)NN;LHOWMVKVXXOTGL-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57197;MM57197;CN=C(C)NOCCC#N;IHCBATJZVSIMTI-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57198;MM57198;C=COC(CN)OC=C;ZLXZDKHWGXFWAE-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57199;MM57199;C#CCC(NC)C(C)F;QLSMJGZOXUXRRV-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57200;MM57200;CC(=CCO)NC(=N)C#N;LGDLUXUUVJDGIK-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57201;MM57201;CC(C)=C(C=O)N=CN;VZXXOPIEKKIPBW-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57202;MM57202;C#CC(NC)C(C)OC;LCQHRARHYIMXIP-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57203;MM57203;CN=C(NC)OCC#N;OZCLZFGBKFQDRG-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57204;MM57204;C=C(OC)C(C)(N)COC;OCHUGNGMXQVREE-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57205;MM57205;C=C(C)C(CC=NO)NC;AOIZZHHBNITYCJ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57206;MM57206;CC(N)C(F)(F)C#CCN;GWDMXINMFYTUCA-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57207;MM57207;CC(C)CC(=O)C(C)(C)O;SIZNKDNELHRZED-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57208;MM57208;CC(O)CC(=O)C(C)(C)O;LBKQQCZIKPDBHJ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57209;MM57209;CC(O)CC(=O)C(C)(C)F;RNSMIOJUKZJZQY-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57210;MM57210;C=C(CNCC#N)C(N)=O;JUXDHEBNVPOJPD-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57211;MM57211;C#CCOC(=N)NC(=C)C;XFOQRMNPKBGMJM-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57212;MM57212;C#CC(C)(N)C(=N)NC=N;WQAPPTVJKFIFHK-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57213;MM57213;CC(CN)=NN=CC(=N)N;PTIQBSDRZWOQDU-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57214;MM57214;CC(CCO)=NN;XMHRZRAFIYKGJV-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57215;MM57215;C=C(C)CC(=O)C(C)(C)O;CUZCEEUDYZMKDE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57216;MM57216;CCCN(C=NC)C(N)=O;KOQFDHYSFBYKKW-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57217;MM57217;CC(CC=CCO)=NN;PWSQLUAZLKSFHX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57218;MM57218;COC(=N)NC(N)=CC#N;SQHTUYADQHWAMR-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57219;MM57219;CC(CCC=NN)NC=O;DRXBIYWTADVKBK-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57220;MM57220;C=NOC(C)C(=N)NC=N;HIHCDGVMECPYGD-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57221;MM57221;COC(=NN)NC=CF;ZACQAYAXDVBEDC-UHFFFAOYSA-N;133.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57222;MM57222;CNC=NN=C(C#N)OC;GKNOQNAZESJGOO-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57223;MM57223;CCCNCC(=O)N(C)N;GAAFGCDTFOVWHI-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57224;MM57224;CC(=NN=CCN)C(=N)N;ISOKJLDZQIJZFQ-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57225;MM57225;C=NNCC(=C)N(C)C=O;JHFYYOAWPMKAPE-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57226;MM57226;CC(C)=CC(=O)C(C)(C)O;WVUGWXCPDFBOFK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57227;MM57227;CC(N)=CC(=O)C(C)(C)O;DWAFRQFDMFJURD-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57228;MM57228;CCOC(=COC)NC=N;SOHQIAGEKBIKHO-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57229;MM57229;CC(=CC(C)O)C(C)(C)O;MUACSKUYDVDGLM-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57230;MM57230;C=COC(C=C)(CN)OC;BBQUHAOJCOQYCI-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57231;MM57231;CC(CC=NO)N(C)C;DDXLXTFQAURADB-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57232;MM57232;C=CC(CC(C)=NO)NC;XTYCJUOIVVIYNZ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57233;MM57233;C#CC(=CN)C(C=C)=NO;APFRSLNEOPLVMZ-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57234;MM57234;C=CC(=N)N=CN(C)C=N;GUDCKIWKYRQOGQ-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57235;MM57235;C=C(C#CCN)C=NNC;XTEMRUZPGKKOQL-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57236;MM57236;C=CC(CCNN=C)=NO;CHIYPGLBRXJETB-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57237;MM57237;C#CC(N)C(F)CNCC;JGUYLQYFCCQSFZ-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57238;MM57238;CNC(=N)NN=CNC=O;MMDQQLJNWQCCCV-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57239;MM57239;CC(O)CC(C)(O)CCF;KKQSLJUBFBHJAZ-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57240;MM57240;C=CC(=N)NC(C)=O;YTJSYVYLEXSMKA-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57241;MM57241;C=NNCC(=O)NC=CC;HHRFEXGIOCLMJS-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57242;MM57242;CC(O)CC(C)(F)CCO;XFNIENDEGSJADK-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57243;MM57243;CCN=CNOC(C)CN;HNXPXAOTEMHOIN-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57244;MM57244;CN(C=N)OCC#CC=O;DCZYUCVOEGHNSH-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57245;MM57245;C#CC#CCON(C)C=N;BBAQBUCFMWVVLZ-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57246;MM57246;C=NOC(=N)N(C)O;BNILPLQSUMBWIU-UHFFFAOYSA-N;117.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57247;MM57247;C#CC(=N)N(CCC)NC;ZQCLQLQGZFZMEI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57248;MM57248;C#CC(=O)N(C=C)NC=N;CMUMHEWJIANCFC-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57249;MM57249;C#CC=C(CN)C(=O)OC;KOLGQSABFXWKQL-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57250;MM57250;C#CC(=N)N(NC)C(=C)C;VTXSMTAISQXSIV-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57251;MM57251;C=CCOC(=NN)NO;HQEMGHUSZPYMGY-UHFFFAOYSA-N;131.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57252;MM57252;CC=C(N=CNC=N)OC;DBYQYKWXFNQWRS-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57253;MM57253;CC=CCOC(=NN)NO;NKCXCJQXMCUKHC-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57254;MM57254;C#CCC(O)CCNN=C;PAFGKQSRWCESDF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57255;MM57255;CC(O)CC(C)(O)CC=O;YAHAMQHNWHDRAH-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57256;MM57256;CC(O)CC(C)(O)CC#N;MPSBRJYDRQXBEB-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57257;MM57257;CC=C(CO)C(C)=NN;SUANPILVWCLXBV-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57258;MM57258;C#CCN=CN(C=C)C=N;AHMHLWAVEBFVMG-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57259;MM57259;C#CC(CO)CCNN=C;TYHRECYQHVBVMH-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57260;MM57260;CCNC(=O)N(C)NCC;DEGJZZXPXWECDD-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57261;MM57261;C#CC(NC)C(=C)CCF;RPMHMUASJUOXFF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57262;MM57262;C=CCNC(=O)CNN=C;VBLLIJNLLLTLDC-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57263;MM57263;CC1(F)CC1N;NSOIQYLAKVVQIT-UHFFFAOYSA-N;89.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57264;MM57264;CC=C(CNC)C(C)=NO;WOTHNFDMYRZIBJ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57265;MM57265;CC(C=CC=NN)NC=O;HMJOQXHQXCCEBQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57266;MM57266;CC1C(N)C1F;FXTADCKAVVTOLE-UHFFFAOYSA-N;89.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57267;MM57267;CC(F)=CC#CCN;JOGPNHZEXOLQQA-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57268;MM57268;CCC(CC=NN)NC=O;AUZLZWVWKVEACS-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57269;MM57269;C#CC(NC)C(=C)C;FHMICJWWMLQZCF-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57270;MM57270;FCCCNCCF;GOODWBZDQIVPEC-UHFFFAOYSA-N;123.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57271;MM57271;CC(C)(CC=NN)C(N)=O;UGTWEQRIJXXSCB-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15364;MM15364;C=C(C)CC(C)(O)CCF;QEZQMBVLSXTJSU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57272;MM57272;CC(=O)CC(C)(O)CCO;GDGVIXAQDFOWDO-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57273;MM57273;CC(=O)CC(C)(O)CCF;MMLHUTGASZGHNY-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57274;MM57274;CC#CC(C)(N)COC;ULEGZULSLQMNHT-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57275;MM57275;C=C(CN)C(C)(O)C#CC;NZPUMQHYIPWFKT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57276;MM57276;C#CCCC(O)(C#C)CN;LBEPBRXPJJJWAY-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57277;MM57277;COCC(C)N=CNN;MWVIVHRXEJIBMG-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57278;MM57278;CNCC(=COC)OC;TXVPHXNNLGFMJY-UHFFFAOYSA-N;131.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57279;MM57279;C=CN(C)C(=O)CNN=C;XRWIGUTYKRWXPV-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57280;MM57280;COCC(C)(O)CC(C)=O;KJZJCOSXXALPFJ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57281;MM57281;C=CCNCCOC=O;GQTPECHKPOCPBJ-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57282;MM57282;C#CC#CC#CCNC;GGHGAKUVRWGSLX-UHFFFAOYSA-N;117.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57283;MM57283;C#CC(O)(CN)CCCF;XQDBKSSFZWENQV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57284;MM57284;CC(=O)NC(C)(C)CCO;RZHKGXXQPAAYIY-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57285;MM57285;CCC(C)(N)C(=O)N(C)C;JEQVCFJMBDHTME-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57286;MM57286;C#CC(O)(CN)CCC=C;XVHRNVWNRZTVGC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57287;MM57287;C=C(C)CC(C)(C=O)NC;KIIASSZYBNBDFG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57288;MM57288;C=NNCC(N)C=C(C)C;WKTOQWKPCBCINA-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57289;MM57289;COCC(C)(C)NC(N)=O;LPDBKICWYSAHRT-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57290;MM57290;C#CCNCC(=C)CCF;WDWUBJAGIUIHHI-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57291;MM57291;CCN=CNC(=N)COC;XKRVGNAPHVVEPE-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57292;MM57292;C=C(N=CNC=N)OCC;WSENMAPMFFOVBT-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57293;MM57293;C#CC=NNC(=N)CC#N;YYEDHQHJPRHOJG-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57294;MM57294;C=C(C)CC(C)(O)CC=O;GPDRKYBZKHBULA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57295;MM57295;CC(=O)CC(C)(O)CC#N;WGQPCQUBTHDNDK-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57296;MM57296;C=CCC(C)(O)CC(=O)O;MDSXLIZFSWPBCJ-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57297;MM57297;C=C(F)CC(C)(O)CC=O;DLVMCDMBDHNRLL-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57298;MM57298;C#CC(NC)C(C)=C(C)C;IXPPSEOFUCBCGS-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57299;MM57299;C=CCC(C)(F)CC(N)=O;YIGYRVHSSOSVAI-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57300;MM57300;CC(F)(CC#N)CC(N)=O;PYUJVSWGRAUORK-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57301;MM57301;C#CC(O)(CN)CCC;QWIKACNVWKSMEB-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57302;MM57302;C#CC(O)(CC)CN;UPFPCDSKNMZIDN-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57303;MM57303;CC(C)(CC=O)OC(N)=O;SAHBKEDXCRNWSP-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57304;MM57304;C#CC(C#C)(CF)C(=N)N;PEYOAQGQZQUPPS-UHFFFAOYSA-N;138.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57305;MM57305;C#CC(C)NCC(=C)C=C;KJRROBYIFBAHFE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57306;MM57306;C#CCNC(C)C(=C)C=C;XMURWIXTCYNZJF-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57307;MM57307;C=CC(=NNC)NN=C;OXTJNJSKNVXMHH-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57308;MM57308;C=NN(C)C(CC)=NN;NKBFCFMAMLOQGC-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57309;MM57309;C#CC(=N)N(N)CCC=C;QWWYLAOPMCJAQC-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57310;MM57310;C=COC=C(C)N(N)C=N;QSHUXSZLAZZYRS-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57311;MM57311;CNN=CC(F)=C(N)CN;NGJVJVVEUOBZCI-UHFFFAOYSA-N;146.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57312;MM57312;CC(C)(C=NO)CC(N)=O;RWKSQIUWLBZVMD-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57313;MM57313;CC(F)(C=NN)CC(=O)O;PDFOEVVCKCISMV-UHFFFAOYSA-N;148.14;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57314;MM57314;C#CC=NN=CC(=N)NC;QYNJGYBRXQCCRG-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57315;MM57315;CN=C(COC)N(C)C=N;DAAIIFJGOLNEAH-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57316;MM57316;C#CC(O)C(=CC)CN;VHZDRICWHBLIMD-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57317;MM57317;CC(=O)NC(C)(C)C=NO;GBZWJULTNMANOY-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57318;MM57318;CC=C(COC)N=CNN;ZORXODKHPOWHKB-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57319;MM57319;C=COC=C(CNC)OC;RMZIOXDCKUALDI-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57320;MM57320;C=NNCC(=O)C=C(C)N;QYIVAIMHBKGWTD-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57321;MM57321;CC#CC(C)(O)CC(C)O;XPFNROOPCMOWSV-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57322;MM57322;CCOC=C(NC=N)OC;WLWOMYBXGAZRIP-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57323;MM57323;C=NNCCC(CF)NC;SKBQPMRLFPPNJM-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57324;MM57324;CNC(=N)C(C)(C)F;LCCIGBBCLBMPTQ-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57325;MM57325;C#CCNCC(=C)C;OVDVJJVQAKATES-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57326;MM57326;C=C(C)C(N)C(C)F;DUCDXMUJYLKKJA-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57327;MM57327;C=C(C#CCN)CF;PZLIGPQXTZPFON-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57328;MM57328;CC(C)(F)CN=CNN;CJQLQNNTDWVYGO-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57329;MM57329;C=NN=CC(O)(CC)CN;VELKXEYSPGONSU-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57330;MM57330;CC(F)C(N)CN(C)C;KEOMGJRCVGEFPB-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57331;MM57331;CC(C)=CC(C)(O)CC=O;FNGPEWSBPQQHFC-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57332;MM57332;C=C(C)OC(CN)OC;XIXQRINBEYPKJZ-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57333;MM57333;C=C(C#CCN)C(C)F;WGVBAJHPCFHGMP-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57334;MM57334;CC(C)(CN)C(O)CO;POOAWVQXGONIPS-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57335;MM57335;COCCNC(=N)OC;ZBJMVMTVVOGTTC-UHFFFAOYSA-N;132.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57336;MM57336;C#CC(C)(CO)OC(=N)N;VWRUGKCJCCPYPE-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57337;MM57337;COC=C(NC=N)OC;QMKYMIYDGSPXER-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57338;MM57338;C=CN(O)C(=NN)N(C)C;HEPISZMTWNPSNQ-UHFFFAOYSA-N;144.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57339;MM57339;C=CC(COC=O)NC;QXJYBADSTOSPTL-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57340;MM57340;C=CN(O)C(=NC)NC=N;ZWYZFWUSWXLPJP-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57341;MM57341;C#CCOC(=NC)NC;ITJKSMXYIUKHHO-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57342;MM57342;CCCN=CNCC#N;NJEUICBUBHIAPT-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57343;MM57343;C#CC(C)(N)C(CF)OC;VQPFLPTWNUCVJJ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57344;MM57344;C#CCOCC(C)(N)CF;RTIRZJLPOFIPGL-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57345;MM57345;CN(N=CN)C(C)(C)C=O;NSPRSHDVZDOBSE-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57346;MM57346;C=NNCC(=O)C=CNC;GNSWRZBORGGQQT-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57347;MM57347;CCC(C)(N)C(C)=NNC;ZCROISKEHVUVBT-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57348;MM57348;CC(=O)OC=CC#CCN;GIFAQEPFSXPTQR-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57349;MM57349;CC(=O)CC(C)(O)C(C)C;VSQXHGRKXDAVHZ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57350;MM57350;CC(C)C(C)(O)CC(N)=O;LWRCJHVMMZFXAG-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57351;MM57351;CC(C)C(C)(O)CC(=O)O;ARJHZOQTMKOGOQ-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57352;MM57352;CNCCC(C#N)CO;KGOFBIWAYGFDHR-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57353;MM57353;CC(=O)CC(C)(O)C(C)F;LUKUDKSIHANNTL-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57354;MM57354;CC#CC(=N)NC=COC;JUDUVUUDLBVDDY-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57355;MM57355;CC(=O)CC(C)(F)C(C)O;FPDQFHZEXVLUKN-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57356;MM57356;C=NNC(=N)OC(C)(C)C;HBYPDUAXQBXEBE-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57357;MM57357;CC(=O)NC(C)(C)C(C)O;DPIBNCCZXDARLL-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57358;MM57358;C=NNC(=N)C=C(F)C=O;XTXRJCDPJAJLHS-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57359;MM57359;CN(CC#CC=O)N=CN;ACINZRYCRUMFCT-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57360;MM57360;C#CC=NNC(C#C)=NC;CCOKNBOPIHAFDO-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57361;MM57361;C#CCC(=N)N(N)CC=C;WLLNVKLSRPGORB-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57362;MM57362;C=CNC=NN=C(C)C;XVNVXCVUNRSJLO-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57363;MM57363;C=CCC(CNC)=NOC;LLPKDTCOQSZVNR-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57364;MM57364;C#CC(C)(CN)NN=CC;IKCBURXNYVPFEJ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57365;MM57365;CNN=C(N(C)C)N(C)O;DNLWXYUWZTZPFL-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57366;MM57366;CC=CC(CN)(OC)OC;XSLSVNXFMCBAOR-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57367;MM57367;CCCN(C)C(CO)CO;ANYHSZSNDFBXPC-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57368;MM57368;CC(=O)C(C)(O)CC(C)C;BVYUAISSKQVRJV-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57369;MM57369;C=CC(N)CN(CC)N=C;FJKRTCZKPMTONA-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57370;MM57370;C#CCNN=C;DTAXBWYAUBCUAE-UHFFFAOYSA-N;82.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57371;MM57371;CC(C)OC(C)(C)C(N)=O;HBQWTKNIIIVMOI-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57372;MM57372;CCNC(=NC=N)NO;DFIPNHPIYBBQMA-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57373;MM57373;C=C(C=O)CC(CF)NC;MAQDIXJQCGLHRE-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57374;MM57374;C=CC(=C)OC(CN)OC;HBUNEUKNFUWWQD-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57375;MM57375;C=NNCC=C(C)C=NO;FEISFKJWXQRBIJ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57376;MM57376;C=CN(N)C=NCCOC;UNIQOXLSUBOOPA-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,2-dimethylbutanedioic Acid";MM03656;CC(C)(CC(=O)O)C(=O)O;GOHPTLYPQCTZSE-UHFFFAOYSA-N;146.14;0.57;11701;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57377;MM57377;C=COC(C)C(N)C(C)O;YRCNWQCUOGSEFC-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57378;MM57378;C=C(C)C(C)(O)CC(N)=O;UIIIFONBZFKGHA-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57379;MM57379;C=NN=CN=CN(C)C=N;HRRWKVOGLOEVEK-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57380;MM57380;CN=C(NC=N)C(C)OC;NYUVAXUXFWPFKX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57381;MM57381;C#CC=C(CN)C(C)O;ASZDBVCMSNZTKZ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57382;MM57382;CC=NN(C=N)C=CCN;LHIQNXDHJWZEIO-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57383;MM57383;C#CC(C)C(=O)NC(C)=N;LERKJZFWIZRNAC-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57384;MM57384;CC(=O)C(C)(O)C=C(C)C;WROVBEFSMUYOPF-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57385;MM57385;CCOC=CC(N)C(C)O;MHZCNGZDDCZJHQ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57386;MM57386;CC(C)(O)C(C)(F)CCO;JJKBEJUQUXUMEU-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57387;MM57387;COC(=O)C(CN)=C(C)C;QOQUKSZKZYDXRC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57388;MM57388;CC(C)N(C=N)OCCN;DEFSDEPVPXQPFR-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57389;MM57389;C=CC(C)C(=N)N(C)O;ROGUTRBMYCBTDB-UHFFFAOYSA-N;128.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57390;MM57390;COCCN(OC)C(C)=N;DZUKJOPVMUBTCT-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57391;MM57391;C=CCC(=N)N(C)O;TUUTVMQNWJWOBN-UHFFFAOYSA-N;114.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57392;MM57392;C=C(C)CC(=N)NC=O;LRFBTUIFGGWEDA-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57393;MM57393;CCCC(=NO)NCC=O;AEFRRRNODKUAMV-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57394;MM57394;C#CCC(C)(O)C(C)(C)O;RAQQKZCSHLEWLZ-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57395;MM57395;C=CC(O)C(C)ON=C;SUVZNIVWPOJSRA-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57396;MM57396;CC(C)(O)C(C)(F)C=NO;OTZCUZCZMKXVGJ-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57397;MM57397;CCC=COC(CN)OC;NIEWLBCZNDXXMX-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57398;MM57398;C=CN(NC)C(=N)C#CC;CVMXOFMSYQNIAI-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57399;MM57399;C#CC(C#N)=C(C)CNC;ILGAFRSZYSWQMZ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57400;MM57400;CC(=O)N(C)CC(C)(C)O;WAMNBTSFAHBZEX-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57401;MM57401;COCOC=CC#CCN;MQCMLUDPROVUIM-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57402;MM57402;C=CNC(=O)C(C)NN=C;NGYQCPRGFCAQSA-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57403;MM57403;COC(CN)OC;QKWWDTYDYOFRJL-UHFFFAOYSA-N;105.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57404;MM57404;CN(O)C(CO)=NC=NN;VPNCKTVXKKWQSO-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57405;MM57405;CN(C)C(=O)NC(C)(C)C;QTQNNPUOOYLCIW-UHFFFAOYSA-N;144.22;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57406;MM57406;C=CC(N)CNN=C;CHHUNBDJPJLBIB-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57407;MM57407;C=C(C)C(=O)CC(C)(C)O;ARVHFDQFNAYKFT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57408;MM57408;CC(=O)C(=O)OC(C)(C)C;YVZKICWRYOHMRD-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57409;MM57409;COC=CC#CCN;DFOXURPWLYWPMZ-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57410;MM57410;CC(C=CF)N=CNN;OWTCMSSQJAVLNS-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01745;MM01745;CC(C)=C(F)CC(C)(C)O;ILMKGXRBMUSALP-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57411;MM57411;C=C(C#CCN)C=CF;QDDYCEXUVDFZHB-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57412;MM57412;C=CC(C)(ON=C)C(C)O;UATRAMBVHGJJHW-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57413;MM57413;C=CC(N)CNN=CC;MQLLFPPXGCFZCL-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57414;MM57414;C#CC(F)C(N)CCF;BKFCCKWLPJHBAE-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57415;MM57415;CC(O)CC(F)CC(C)O;QSEXHZOPCWDWDS-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57416;MM57416;CC(O)CN(C)C(C)CO;BSMNFSOFRLILHX-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57417;MM57417;CCOC(CN)OCC;HJKLEAOXCZIMPI-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57418;MM57418;CNCC(CC#N)NC;MMWHIDLXGNXDJY-UHFFFAOYSA-N;127.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57419;MM57419;CC(F)C(C#N)NC=N;VRZZQWIVONTJPT-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57420;MM57420;C#CC(=CF)CC(=N)NO;UIZBTURRGMONEA-UHFFFAOYSA-N;142.13;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57421;MM57421;CC=C(CN)C(=O)OC;NZHOWURFODXRBO-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57422;MM57422;C#CC(F)=C(CN)OC;CTSKLZQYBSXIEA-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57423;MM57423;C#CC(C)C(O)CNN=C;JLPYTEBNTKGPRU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57424;MM57424;C#CCC(C)(O)CNN=C;WPKGLMUZTLHNJT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57425;MM57425;CC(=O)CC(F)CC(C)O;PSDTYWWOSPHZJS-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57426;MM57426;CC(=O)NC(C)CC(C)O;RKMWLZUZJXKMLA-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57427;MM57427;CCCOC(CN)OC;QSICYCHVVBVTLN-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57428;MM57428;COC(CN)OCCF;BWVTZRXPTBZYGQ-UHFFFAOYSA-N;137.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57429;MM57429;C=CCON(C=C)C=N;PVSPVJZTTKRYIH-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57430;MM57430;C=C(OCOC)C(=N)NO;LCRFSCBCCWDVOW-UHFFFAOYSA-N;146.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57431;MM57431;COC(C#CCN)OC;LOGOPUFWSPHMPY-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57432;MM57432;COC(CN)OC(C)(C)C;LVHAMEAWROYNSE-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57433;MM57433;CC(=O)CC(C)CC(C)=O;NZTWSVDUWQKAPI-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57434;MM57434;C=C(C)CC(O)CC(C)=O;BKYWOOWCNGFRNN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57435;MM57435;C=C(C)CC(O)CC(=O)O;JXERKYHOZPWADL-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57436;MM57436;C=C(C)CC(F)CC(N)=O;HIDWIXLEQJJTDA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57437;MM57437;CCN(C)CC(C)=C(C)F;IVKOIJPXHDMEED-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57438;MM57438;C=COC(C)(C)C(N)CO;WXBWTRCBIVOECH-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57439;MM57439;CC#CC(=O)C#CC(=N)N;JSMHAWJEVRFFSI-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57440;MM57440;C=CC(N)C#CCN(C)C;WOXZWGFPFKLANY-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57441;MM57441;C#CC(CC)=C(CN)CO;ZQOTZNJNKIPAIZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57442;MM57442;C=CC(N)CNN=C(C)C;CRZSAWSNVPONCZ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57443;MM57443;C=CC(=NOC)NC(C)=N;JNLIFMXENNZYEV-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57444;MM57444;C=C(C)C(=N)N(N)C=NC;JPEXGVHFYIDPGY-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57445;MM57445;CCOC(=CC#N)NC=N;CDXYKTQMWVUWLA-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57446;MM57446;CC=NOC(=N)N(C)O;YXHUTXYUKWIXLF-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57447;MM57447;C=NOC(CC#N)C(=N)N;PJRSBLNXIQMTSV-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57448;MM57448;CN(C)NC(=O)NN(C)C;UIFGGGPBWNDMMN-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57449;MM57449;C=C(CC(=O)O)CC(C)O;GZCULSALHIHMOZ-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57450;MM57450;CCC(C)OC(CN)OC;AAMWNCMHLCHQSI-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57451;MM57451;C=C(CC(N)=O)CC(C)F;INOODVMSOVDIME-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57452;MM57452;C=C(C)CC(=O)CC(C)O;IYGGUCBYFMOAQX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57453;MM57453;C=C(F)CC(=O)CC(C)O;MEVNWVAPMMFGOM-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57454;MM57454;C=CC=NOC(=N)N(C)O;KTSHRLWLEHAWAV-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57455;MM57455;C=C(CC(C)O)NC(C)=O;RTDQJCVCZKSLEZ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57456;MM57456;C=CCC(CO)ON=C;RBNHILBGKSXYNF-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57457;MM57457;CC(C=CF)=CC(N)CO;AOCAEQHOIWPBIQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57458;MM57458;CCCNC(=N)OCCO;DLPADRBNMAOEHF-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57459;MM57459;CC(C)CC(=O)NC(N)=O;KBJPBSNKRUDROY-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57460;MM57460;C=C(C)NC(=O)CC(C)O;QALBNXCPTWLXEC-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57461;MM57461;N#CCONC(=N)NC=N;XOACCBOMBQNPCQ-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57462;MM57462;CNC(C)(C#N)C(N)=O;OPKNHUGPRWWAFD-UHFFFAOYSA-N;127.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57463;MM57463;CC(=O)CC(=O)NC(C)C;KGDFBLAMEFQDOK-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57464;MM57464;CC(=O)NC(=O)NC(C)C;FPTLGSJAARLSMN-UHFFFAOYSA-N;144.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57465;MM57465;C=CC(C)OC(CN)OC;NNEALJSTVPRATM-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57466;MM57466;CCC(F)CN(C=N)C=N;GPJILBJEIWSQOW-UHFFFAOYSA-N;145.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57467;MM57467;C=C(NC(N)=O)OC(C)C;JYIIHXIDMQAFLH-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57468;MM57468;COC(CN)OCC(C)C;PZMNDSWTPLBCGC-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57469;MM57469;CC(=N)NC(=O)OC(C)C;PKOLRVHCZCPIFD-UHFFFAOYSA-N;144.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57470;MM57470;C#CC(CNN=C)C(C)O;ASUFOYGNCAIOEX-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57471;MM57471;C#CCCC(CO)NN=C;GQXMADPBJJXUHK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57472;MM57472;C=C(C=NN)CO;JRAMYIIRYUADDW-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57473;MM57473;C#CC=C(C)CNCCO;XSSBGTSJWJMUTP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57474;MM57474;C=C(CC(C)=O)CC(C)=O;QWZYCGZJKSOEPL-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57475;MM57475;C=C(CC(C)=O)CC(=O)O;VBZLFXJLCPXUAG-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57476;MM57476;C=C(C)COC(CN)OC;MECDFPHERPVAAV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57477;MM57477;C=C(C#CCN)COC=O;KURDLFJZDCNNBC-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57478;MM57478;CC#CCC(N)C=CCO;YQHLXRFNSICDIH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57479;MM57479;CCOC(C)(CN)CCO;VIBYJUGNEUUKIG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57480;MM57480;C#CCC(CCO)NN=C;HNAHBVPSXXDLOQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57481;MM57481;C=C(C)CC(=O)NC(C)=O;QPUKMMCFIZFPJE-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57482;MM57482;C=CC(N)(C=C)CCO;VVNNRABKYXFLHQ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Prop-1-en-2-yl 3-oxobutanoate";MM02384;C=C(C)OC(=O)CC(C)=O;DYXMYVMKZYLWIX-UHFFFAOYSA-N;142.15;1.04;13380491;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57483;MM57483;C=NN=CN(C)C=CCN;NIAIDHPDIQUFRI-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57484;MM57484;C#CC=NNCC(N)C=C;JCGCOOOWFFGEKB-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57485;MM57485;C=CC(=O)C(=CF)CNC;NWECVESBGLCZQU-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57486;MM57486;C#CC(CCO)CNN=C;NINGFHZOXJJHHS-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57487;MM57487;CC(C)(CC=NN)NC=O;ALKHDEHNZNWNDI-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57488;MM57488;CNCC(OC)=C(C)OC;IVXRTUWPYGYKRA-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57489;MM57489;CCCOC(CN)OCC;INVCWIFJCSHYQS-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57490;MM57490;C#CCOC(CN)OCC;FWQYPNJBDCIRIU-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57491;MM57491;CC(C)=CC(O)CC(C)O;KPGVEBXTNMFUDD-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57492;MM57492;C=COCC(=NC)NC=N;QYEWWILQZQLQQQ-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57493;MM57493;C=NNC(CC)C(N)=O;AYKDMJGXYQOOLR-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57494;MM57494;CC(C)=CC(O)CC(=O)O;XEZOGYRKVIKMMO-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57495;MM57495;CCOC(C#CCN)OC;RRHOYVGLRAUPLV-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57496;MM57496;CC(C)=CC(C)NC(N)=O;KTNNIVWXUSIJFX-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57497;MM57497;CC(C)=CC(=O)CC(C)O;ASUPSGFZDPKFJQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57498;MM57498;CC(N)=CC(=O)CC(C)O;NOSGCRGLCDWLSU-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57499;MM57499;CNCC=C(C#N)COC;XDWYNCSDXCKZPM-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57500;MM57500;CC(=O)CC(=O)C=C(C)N;SNQADVFYKKQECQ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57501;MM57501;CC(=O)CC(=O)C=C(N)N;GLSFOUBZTZSDTB-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57502;MM57502;CC(C)=C(C=O)N(C)C=N;QYJZBUHPWTUKJT-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57503;MM57503;CCCCOC(CN)OC;PGIBFOQODOWKSF-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57504;MM57504;CC(=O)NC(C)(C)CN;DPSHVXKFYDIOKH-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57505;MM57505;C=C(C)NC(=O)C=C(C)N;MGMRHDIXTHRZRR-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57506;MM57506;C=NN(CC(N)=O)C(C)C;UZHIAQMFNQOIFO-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57507;MM57507;CC=NNC(C)=NNC;UTJKIBDFYRGEKN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57508;MM57508;CCOCOC(CN)OC;MYEXOOCDIRPSJF-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57509;MM57509;C=C(CC#N)N(C=N)C=N;RULHNJAXQLZYJQ-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57510;MM57510;CC#CC(=NN)N(C)OC;KLZYPDVEXBPWIB-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57511;MM57511;CC=C(CN)C(=O)OCC;VCMYGHQXEHGPNN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57512;MM57512;C=NOC(=O)C(=CC)CN;IKCHKNSHYYQSKO-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57513;MM57513;C=NN=C(COC)NC;UFPDBBRUYNPVCP-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57514;MM57514;CNCC#CC#CC=NN;DAVKJZXWQAVXOU-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57515;MM57515;C=CCOC(=N)NN=C;IGVQLAQSGAZKQR-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57516;MM57516;C#CCNN=CCNN=C;UKZPPOHYZYCECD-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57517;MM57517;C=NNCCC(C)=NO;HETLFMRYBRELKW-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57518;MM57518;N#CC=NN(C=N)C=N;VHWLZOMOYPKJKG-UHFFFAOYSA-N;123.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57519;MM57519;NCC#CC=NN=CCN;AXLWUXUBUJMCKB-UHFFFAOYSA-N;138.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57520;MM57520;CN(N)C(=NNC=N)NN;NAADXVAAAAOQRL-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16408;MM16408;CC(C)OC(N)=CC(=O)O;LVTFFQMVINZPIO-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57521;MM57521;CCC(C)(C)NNC(N)=O;CYAOETADVVKITB-UHFFFAOYSA-N;145.21;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57522;MM57522;C#CC(F)C(C)N;UTWFXJBKMNKMPE-UHFFFAOYSA-N;101.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57523;MM57523;C#CC(C)(C#N)N(O)C=N;CHTGAKUUJMDMAX-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57524;MM57524;CC(=O)CC(C)=CC(C)O;HIEUMBYWPQRWKE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57525;MM57525;CC(=CC(C)O)CC(=O)O;KREFWPNUVRQOGT-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57526;MM57526;C=NN=CC(=N)NC;FERNXJJCWSJFDU-UHFFFAOYSA-N;112.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57527;MM57527;N#CCC(=N)N(O)CC#N;PDGWUGAWBBCRAV-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57528;MM57528;CC(=O)NC(C)=CC(C)O;UZLBUEJMRDWLJI-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57529;MM57529;C=C(N=CN)OC(C)=O;BJYLZNHCAMVFAZ-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57530;MM57530;CN(O)C(=N)ON=CCO;KHJDKVQRVCRGGM-UHFFFAOYSA-N;147.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57531;MM57531;C#CC(C)(N)COC=C;GIMULMHHPABLED-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57532;MM57532;CN=C(C)NC(=N)CF;YLFQZIHFRSWIHI-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57533;MM57533;CNN=C(C#CCF)NO;FBMYJJCRHUMBEP-UHFFFAOYSA-N;145.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57534;MM57534;C=CNC=NN=CC(C)O;ROPLEYJRMQVASC-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57535;MM57535;C=C(C)C=C(C)NC(N)=O;JNAMJGILQAFLSJ-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57536;MM57536;C=CC(=N)NC=NNC=N;XSTBBNAESRVFQV-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57537;MM57537;C#CC(C)(CO)CNN=C;WGUBMDGGEGIVJI-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57538;MM57538;C=C(C)CNC(=N)OC;LRQZQEWIIGIUOP-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57539;MM57539;C=CC(CO)N=CNN=C;ZZPGAXYCQCZRJG-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57540;MM57540;CC(=O)C=C(N)OC(C)=O;MILBNZGEXPYFOC-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57541;MM57541;CNC(CF)CC(C)F;YEAQMNFCPLACNX-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57542;MM57542;CC=NN=CC(=N)NC;UFXUNKQOUCMLRX-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57543;MM57543;CC(N)=CC(=O)C=C(C)N;IRMAZJDXUCAMQK-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57544;MM57544;C=C(CN)C(=O)OCC;GBQSDNHTUWTEOZ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57545;MM57545;C=COC(=O)C(=C)CN;VUEXPFOMRNKLCZ-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57546;MM57546;C=CC(=N)N(N)C=NC;PJJQOGVRHWVRFI-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57547;MM57547;C=CNC=NN=CCO;APZZRMLEHASCSU-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57548;MM57548;C=NN=C(C)C(=N)NC;QPMOYEKRQFEWIO-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57549;MM57549;CCNC(=N)OC(C)C=O;GLGVJARXYZVGSZ-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57550;MM57550;C=CC(C)C(C=O)NC;IXXVCTDQJRQIIB-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57551;MM57551;CCC(C#N)=CCNC;YZUZJQYURAYREI-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57552;MM57552;CN(C=N)OC(C)(C)CF;OIVDHKYTRPYBST-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57553;MM57553;CC(C)(N)C=NN=CCN;VXRRKRLLKXDEPR-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57554;MM57554;CNC(COC)CC(C)=O;VPVKOAAKSIYHSC-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57555;MM57555;C#CC(=C)C(O)C(C)(C)O;MWECLAVWZRHTJS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57556;MM57556;CN(C)CCN(C)CCF;FIAMUTCNKBBBQF-UHFFFAOYSA-N;148.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57557;MM57557;CON=C(CCC#N)NO;ADPVJBUOCQNSAC-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57558;MM57558;C#CC(=O)N(O)C(C)(C)C;YACFILYWMUKSNX-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57559;MM57559;CC(C)(C)C(=O)C(O)CO;JZCWZGOQSFQEMU-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57560;MM57560;C=C(C(O)C=O)C(C)(C)O;DUUOAWJXMMHIEB-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57561;MM57561;C=C(C(O)C#N)C(C)(C)O;XDFCZSQMZSBVHU-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57562;MM57562;CC(C)(F)C(=O)C(O)C#N;WWQZXJXGYRHFDN-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57563;MM57563;COC(C)CN=CN(C)N;QNLFVNLVVPXSTH-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57564;MM57564;CCN=C(C)NOCOC;IULMLTFTAISWSI-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57565;MM57565;CN(C=O)C(=O)C(C)(C)C;RSYWWKFZWIXIPF-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57566;MM57566;C=C(F)C(=C)C(=N)NC=N;LFQSRILYHYRTOF-UHFFFAOYSA-N;141.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57567;MM57567;C#CC(C#C)(CNC)OC;PVFWWYNJHJQOPL-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57568;MM57568;CN=CNC(=N)C=CC#N;WTOPRNVMIBTYNN-UHFFFAOYSA-N;136.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57569;MM57569;C#CCOC(=O)C(=C)CN;XWDIODZVHIRERP-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57570;MM57570;CNN=C(N)C(=O)NC;VBKUHLIXVLYPNI-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57571;MM57571;N#CCC(=CF)NC=N;BSHGVCPYZSUPKG-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57572;MM57572;C=NNC(=N)OCCO;UKRMOAKCJPOYCX-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57573;MM57573;C#CC(=O)C(=O)C(C)(C)O;WUGLXGGGIVLZIB-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57574;MM57574;C=C(CN)C(=O)ON=CC;KAGJWMLPXOLDIM-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57575;MM57575;C=NNC(C)=NNCCO;CKVMBEWRCBGTIZ-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57576;MM57576;CC(C)(O)C(N)=C(F)C#N;ZWDSUJHNUBCSFO-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57577;MM57577;C#CC(=N)N(CC)NCC;XEHVQIJVJGTHOH-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57578;MM57578;C#CCC(C#N)=CCNC;FESYHHMQGOOBTL-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57579;MM57579;CNCC=C(C#N)C(C)C;NCRDROGVTLVRLB-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57580;MM57580;C#CC(OC)=C(CN)OC;IRJUGQPRIWNCEA-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57581;MM57581;CON(C=N)C(=N)NC=N;LEVGOEDXDGNAOL-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57582;MM57582;CNN(C=N)C(C)=CC#N;WNNRGIHNPQLEJL-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57583;MM57583;CN(C=CC#N)CCO;PRSUTKQDGQXKEF-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57584;MM57584;C#CC(C)(N)COC;RWHBPPLTFOMZFY-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57585;MM57585;C=NNC(C)(C)C(N)=O;PHTDNQSRPCATEL-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57586;MM57586;N=C(CF)NN=CC=NN;BJGBXOIFOYBHDB-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57587;MM57587;C=NN(C)C(CC)=NNC;QGQSFUCVBLCSDD-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57588;MM57588;CNCC=C(C)C#N;RTWSIDBNJVGWJW-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57589;MM57589;C#CC=CC#CCN;DJKOMNAQTWVSNQ-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57590;MM57590;C#CC(C)(N)COCC;UMEXHTGWWPZYLZ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57591;MM57591;C#CC(=CN)C(=N)N(C)N;CWPYGYCGDZOKHK-UHFFFAOYSA-N;138.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57592;MM57592;CON(C=O)CC(C)(C)O;VETAIRBYVIRTLY-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57593;MM57593;C=CC(C)(C#N)NC=N;XCEIHAKOQYUYSQ-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57594;MM57594;CC(=N)N=CN(C)C=N;GTVYLEAMHWLECS-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57595;MM57595;CN(OCC#N)C(=N)N;SSUZLFYCBZPGLL-UHFFFAOYSA-N;128.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57596;MM57596;C=NNC(=N)OCCOC;BJSDHFVCGQJVRV-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57597;MM57597;C#CCNC(=N)C#CC;NDZXDNDJRKKIRN-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57598;MM57598;CN(C)C(=N)NC(=O)CF;AYLFFLSIRYWJBH-UHFFFAOYSA-N;147.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57599;MM57599;C=C(C#CCN)CCF;VSDDABUXUYEIMA-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57600;MM57600;CC(C)(O)CC(C=O)C=O;MYNZERFCXQKAOM-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57601;MM57601;CC(C)(O)CC(C#N)C=O;DPVFYCPXOZNMHV-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57602;MM57602;CC(C)(O)CC(C#N)C#N;PGOSTFHLILMFGS-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15477;MM15477;N#CC(C#N)CC(F)(F)F;KQAWBVKSHAKURB-UHFFFAOYSA-N;148.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57603;MM57603;CC=NNC(=N)OC;ICFWLNUEYWCEHS-UHFFFAOYSA-N;115.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57604;MM57604;C=CC=C(C)C#CCN;OHYXSELCVPQDEL-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57605;MM57605;C=C(C=NO)C(=N)NN;CGVVAWFAKJSUBQ-UHFFFAOYSA-N;128.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57606;MM57606;C=CNC=NN=CCOC;GBEYJOJQEMKHIT-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57607;MM57607;C#CC(N)C(=N)NC=N;VRGDOFWBGYKOMD-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57608;MM57608;C#CC(ON=C)C(C)N;WPHVIMZEROGXLX-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57609;MM57609;CN(C)C(CN)=NC=N;CYHDSZOHNGSNTO-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57610;MM57610;C#CC(=CF)N(C)C=N;CHLCLUFIAINPHX-UHFFFAOYSA-N;126.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57611;MM57611;CCNCC(C=O)=CF;AGMMHQBIHPWUSO-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57612;MM57612;CC(C)(C)ON(C=O)C=O;BBQVHFZZECKYDA-UHFFFAOYSA-N;145.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57613;MM57613;CCON=C(CN)CF;HDDMTBRRACURGY-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57614;MM57614;CN=C(NN)NC(N)=O;SFBYFCCCFDVGAT-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57615;MM57615;CC(=NO)C(C)CN(C)C;NNPKJLLRMLPLBC-UHFFFAOYSA-N;144.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57616;MM57616;C=CC#CC#CCNC;DAZQHVKYNDKBEO-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57617;MM57617;C=CC(=NN(C)C)NN=C;WUWKXNOABVABAG-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57618;MM57618;C=NNCC(=C)CC=NO;FDNWBTBCGRVZJB-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57619;MM57619;C=CN(C=C)C(=N)NC=O;OQOASNSRUQDKNL-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57620;MM57620;CCN(NC)C(=O)NOC;WXSJDIIXLAZUSV-UHFFFAOYSA-N;147.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57621;MM57621;COC(=NO)NC(C)(C)C;XIWWXBYCVRLYLU-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57622;MM57622;C=C(C)C(C)C(=N)NC=O;XWCYFMFVBIMAPQ-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57623;MM57623;C=NN(C)CC(O)COC;HMIHGPWRMSPFOD-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57624;MM57624;CC(C)(F)CC(C=O)=CN;INNUJLFATHJAQM-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57625;MM57625;N#CCN=CNC=N;LXVHTBRLVQKYHT-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57626;MM57626;C#CC(O)C(F)=CNC=N;JEJDOCXKIFYGCB-UHFFFAOYSA-N;142.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57627;MM57627;C=NOC(C)(C)CO;JVSYYDIQUAJSRZ-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57628;MM57628;CON=C(CO)C(C)=NN;FDWUVSBBDMJKIY-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57629;MM57629;C#CCC(C)(CO)NN=C;RGHLNUPVEPCJMI-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57630;MM57630;C#CC(CO)C(C)NN=C;WQWIUSLBYLXBEZ-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57631;MM57631;C#CC(C)(N)C(C=C)OC;RPUWDZIGGUVYPK-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57632;MM57632;C#CC(C)(N)COCCF;CJJLJNLVITWNOK-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57633;MM57633;CC(C)(O)C=C(C=O)CO;BFMGWCNBDZULDE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57634;MM57634;CNC(C)C(C)C(O)C#N;YJUNWYPJJGOLIM-UHFFFAOYSA-N;142.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57635;MM57635;C#CC(=CC(C)(C)O)CO;HTEQNHLMWZWENW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57636;MM57636;CC(C)(O)C=C(C=O)C=O;BZWXBVYGNHWECH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57637;MM57637;C#CC(C)(N)COCC=C;AFRICGBNDGXGOP-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57638;MM57638;C#CCOCC(C)(N)C#C;LKXBKMKPQSJFKU-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57639;MM57639;C=CCC(C)=NNCCO;SMWSOLGILFUONT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57640;MM57640;CC(C)(C)OCC(O)CO;JPWDLYMEUNBLIR-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57641;MM57641;CCN=CN(C)C(=O)NC;MUEOJONDBJOUQT-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57642;MM57642;C#CC#CC(O)C(=C)CN;LGGKKTOHMCQJLN-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57643;MM57643;C=CC(CCO)ON=C;QJWDAIDLKYPRQX-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57644;MM57644;C=NN(CC)CC=O;SBBMGBIGYNEXSY-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57645;MM57645;C=CC#CC(O)C(=C)CN;TUMMUOBLMZTVNU-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57646;MM57646;CC(C)=CC(N)C(F)CN;JIVHOECMYRXUCN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57647;MM57647;C=C(CN)C(O)C#CC;SNASILKJOMTRIL-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57648;MM57648;CNCC(C=O)=CN(C)C;WBKXCMQELDUKDR-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57649;MM57649;C=C(C)CN(OC)C(C)=N;JMBJUHLMNXQJJF-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57650;MM57650;CC=NOCC(=N)NC=N;ZECOENHXDKBMLN-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57651;MM57651;CCN=C(COC)N(C)N;KSQCOZQGVFIQSM-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57652;MM57652;C#CC(C)(O)CN;NCJDIZBIUIFDGO-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57653;MM57653;CCN(C)CCN(C)C=O;UYJJNEPXGWPVSH-UHFFFAOYSA-N;144.22;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57654;MM57654;CC(C)C(=O)NN(C)C=N;ZVUXDVWEUXODSS-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57655;MM57655;C=CC(O)(C=C)C(=C)CN;YWXOWLRCPKBJRT-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57656;MM57656;CC=NN=CC(C)(O)CN;COYVDWZNASPEAQ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57657;MM57657;C=CCC(CN)=C(F)CO;QWVMQMYYTPQYCD-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57658;MM57658;CC(C)ON=C(CN)CF;INBGAVUQJPNTIU-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57659;MM57659;CC(C)(O)COC(=O)C#N;VSWBQYHTHYRFSW-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57660;MM57660;C=CCCN(C)C=NC=N;XAENCEPKCQPYOX-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57661;MM57661;C#CC(=O)OCC(C)(C)O;NIWSSGWHIQDURR-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57662;MM57662;C=C(C#CCN)CCCF;FNXRAXDYQBYIMI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57663;MM57663;CC(=NO)OCC(C)(C)O;AABYSFHDOZXXEW-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57664;MM57664;COCCN(C)C(=N)OC;OPIUKDPZHZBRHN-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57665;MM57665;C=NNC(C(=C)C)C(N)=O;JPUDNJRQGXNLOA-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57666;MM57666;C#CC#CC(N)C(N)C=C;DROCFINHAOZUBJ-UHFFFAOYSA-N;134.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57667;MM57667;CCC(F)C(CN)=NOC;CORICGPJRLYHHA-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57668;MM57668;CC=NNCC(C)C(N)=O;QYAACPZYSMFNOC-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57669;MM57669;CC(C)(O)C=CC(O)C#N;HKQOOTORCDIJHK-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57670;MM57670;C#CC(ON=CC)C(C)N;IIVHFCMMHKPYQQ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57671;MM57671;CN=C(NN)C(C)O;ZTMRMDZCIOYKOQ-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57672;MM57672;C#CC(C)(C)NC(=N)CO;CNELPNRPZMRLDX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57673;MM57673;CON(CC=CF)C(C)=N;CSSIVQZUSQLLQI-UHFFFAOYSA-N;146.17;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57674;MM57674;CCC(C)(O)C(N)COC;OIBJGIDOLHOXSU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57675;MM57675;C#CC(O)C=CC(C)(C)O;RDNPSUYFYBYPDE-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57676;MM57676;CC(C)(O)C=CC(=O)CO;CXIAAYAUXXEBSN-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57677;MM57677;CN=C(OCC#N)N(C)C;OMTYFKJCFAIYKX-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57678;MM57678;CCC(C=NN)CC(N)=O;QKTSOSLEXKPGQT-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57679;MM57679;C=NNCCC=O;UTFUGAHVUQFTNV-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57680;MM57680;C=CC(=NOCC)C(=N)N;SUKXLRUGUOIYAE-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57681;MM57681;C=CC(CC)C(C=O)NC;PGNCMXJTTPJSKS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57682;MM57682;C=CN(C=N)OCCOC;LDFIMKJMSWJDJU-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57683;MM57683;C=CCON=C(CN)CF;UAFHRUJEBYPSOH-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57684;MM57684;C=NOC(=NN)NCC;JAMGVJGEGYVTIV-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57685;MM57685;CCCNC(=NC=N)NO;OHFWDZNNDGIUFU-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57686;MM57686;C=NNCC(=NN)NN=C;XVRGMHCRURNHKX-UHFFFAOYSA-N;142.17;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15497;MM15497;N#CC(O)C#CC(F)(F)F;CNVIOBKODJMLOO-UHFFFAOYSA-N;149.07;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57687;MM57687;C=CC(NC)C(F)CNC;XMPPPQAPZBGMEP-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57688;MM57688;C=NNCCCOC=NN;MNCMQPBUNAOGJA-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57689;MM57689;C#CC(O)C#CC(C)(C)O;HEKQRDFCDHPHQE-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57690;MM57690;C=C(C)C#CCN;LMSPWLDGGVKMLC-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57691;MM57691;CON=C(C=NN)N(C)C;ADRVUCGDERQQLV-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57692;MM57692;C=NNC(=N)OCCC#N;LPDVEFRMMQDZNE-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57693;MM57693;C=C(C#CC(C)(C)O)CO;DCNWSZVAJRKXPG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57694;MM57694;CC(C)(F)C#CC(=O)CO;CWZMXYSEZXIFQS-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57695;MM57695;CC(F)(F)C#CC(=O)CO;NOXAZORHKJNKCJ-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57696;MM57696;CN(C)C(=N)CF;NFOUWJARWCDHPF-UHFFFAOYSA-N;104.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57697;MM57697;C=CN(C=NC)C(=N)NO;NKQRKFWZPRQULL-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57698;MM57698;C=C(C#N)N(C)C=N;IWXWRBGSOGUSRG-UHFFFAOYSA-N;109.13;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57699;MM57699;CC(F)(F)C#CC(=O)NO;YIKYJIHOUARXGA-UHFFFAOYSA-N;149.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57700;MM57700;C#CC(F)C#CCN;AIBMCZUEDWSAMQ-UHFFFAOYSA-N;111.12;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57701;MM57701;COC(=N)NN=CC(C)C;LYLAAKDOPHSQRS-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57702;MM57702;C=COC(=CF)CN;PDRPBOHMRJTKHN-UHFFFAOYSA-N;117.12;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57703;MM57703;COC(=O)C#CC(C)(C)O;JYWXWZYQRNCVPV-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57704;MM57704;CC(C#CC(C)(C)O)=NO;NITCGRBISRBCGY-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57705;MM57705;CC=NNC(=N)OCC;GFASMXSUEGPHFZ-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57706;MM57706;C=CC(=O)CN(C)N=C;CTQYOTMFISUVAY-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57707;MM57707;C=NNCC#CCC=NN;ZMTBHOCBKRXKJW-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57708;MM57708;C=C(F)C(=N)NC=NO;YTFNSEYVMFLIOR-UHFFFAOYSA-N;131.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57709;MM57709;C#CC#CC(=O)NC(C)=N;DDCCNRZSBFQROZ-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57710;MM57710;N=CNC(=O)NC(N)=O;ZHWJQOWBFMQENJ-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57711;MM57711;CC(C)=CC(=N)NC=O;JLITWLPBLFAGEZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57712;MM57712;C=NNC(C)(C)C(=O)NN;FZIRLOSZDDEYOE-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57713;MM57713;NCC#CC=CCF;JZBXCVZBGJBPIE-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57714;MM57714;C=C(N=C(C)NN)OC;CSCUUQNYRVTRDY-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57715;MM57715;C#CC(C=C)NC(C)C;VEBTWVYHTIKQRI-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57716;MM57716;C=NOCC(F)CNC;PUVDKWKJNKJBAF-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57717;MM57717;C#CCC(N)C=NOC;QYWLLIYBTZLJEG-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57718;MM57718;CCNCC(C)=NOC;VZHFWOBWOVDAPE-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57719;MM57719;NN=CC=CC(O)C=NN;MAIAWWAGZHXOGP-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57720;MM57720;C#CC(=C)C(N)COC;HSAHDZMCJALTGU-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57721;MM57721;CCN(N)C(=N)C=CF;RQZVSTHTIOTDIT-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57722;MM57722;N=CN(C=CF)CCF;NVWSQCRSYSIBTM-UHFFFAOYSA-N;134.13;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57723;MM57723;CN=C(COC)NC=N;VVLMLKVUFAZZJY-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57724;MM57724;CNN(CC#N)C(=N)N;FPGPTVZCHIJVFO-UHFFFAOYSA-N;127.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57725;MM57725;C#CC(=NC)N(O)CC#N;AKQDDPACLLAMMZ-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57726;MM57726;C#CCC(=NC)N(C)N;QFPLXWPZBYZIJK-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57727;MM57727;C#CC(C)(C)N(O)C(N)=O;MYASQTZMBFKFHM-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57728;MM57728;C#CC=NOC(=N)N(C)O;KJKUSBXQWWKPEU-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57729;MM57729;C#CCN=C(NO)OC;ZLBIDEOSQRZAEY-UHFFFAOYSA-N;128.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57730;MM57730;N#CC=CN(O)C=NC=N;ZVQIEPURKGMTEH-UHFFFAOYSA-N;138.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57731;MM57731;C=CC(=NN=C)C(=N)N;BDPYGDBOTODPEX-UHFFFAOYSA-N;124.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57732;MM57732;COC(CN)=C(F)CF;KQDUBPXQDQMSHE-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57733;MM57733;C#CC#CC(=NC)NC;YZDFEOWZQNKPRA-UHFFFAOYSA-N;120.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57734;MM57734;C=NNCC(=C)CN(C)C;IZECITARXSXCSU-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57735;MM57735;COC(C)(C)C(=O)N(C)C;VKJWFOOKCMJVMB-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57736;MM57736;CC(CN(C)C=O)N(C)C;NSJCUCLAHZADFT-UHFFFAOYSA-N;144.22;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57737;MM57737;C=NN(C)CC(N)C(=C)C;MMFYQNUCGBYAQA-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57738;MM57738;C=CC(F)=CC(=N)NC=N;GYKIAEUMQGFUJC-UHFFFAOYSA-N;141.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57739;MM57739;C#CCN=CN(O)CC#C;UGASFCSYWRLSMY-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57740;MM57740;CNC(=O)C(C)NCC#N;WOQJZLWLZXEEHV-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57741;MM57741;CN(C)C(=O)C(C)(C)C#N;WFBJNABJGMIRDG-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57742;MM57742;CN(O)C(=O)C(C)(C)C#N;VGQBKNDKXRNVDX-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57743;MM57743;CC(F)=CC(=N)N(C)C=N;GZULGZJBKVIKDY-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57744;MM57744;C=NNCCOC=CCO;FUSGGONQFVHYSN-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57745;MM57745;C=NNC(C)C(N)C=CC;XBKOBVQHBZQUPE-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57746;MM57746;C=C(C=NOC)CCO;OSWKOOHNRXTYOA-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57747;MM57747;CC=NNCC(C)NC=O;VBLIIOCCMQKSRM-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57748;MM57748;CC=C(C#N)N(C)C(=N)N;OZBSNHYLSNXNER-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57749;MM57749;CNN=C(C(=N)N)N(C)O;AJOAQILZOKPABY-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57750;MM57750;N=C(N)C(F)=CC#CCN;HMRGDYUTTMJQHU-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57751;MM57751;C=CC(N)C(C)N(C)N=C;LWRPYGMQXGHFKG-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57752;MM57752;C#CC=C(CNC)C(C)O;CKMHBSLUMNVTOO-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57753;MM57753;CN(O)C(=N)C=CCC=O;HPQCQOXGMISORN-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57754;MM57754;C#CC(C)(O)C(=O)N(C)C;NDUMLBGWTQGYOA-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57755;MM57755;CCCC(CO)N(N)C=N;LYXGFRBQBSHXOY-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57756;MM57756;C=C(C(C)=CF)C(N)CO;NGVBTOZFXCFZFJ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57757;MM57757;C=CCNC(=N)OCCF;HGWLAJOZBCOBQC-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57758;MM57758;C#CC#CC=C(CN)CO;OXXYTRWVBJSCIB-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57759;MM57759;C=C(C=NN)CCC(N)=O;JLKYUMJXGOAZSJ-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57760;MM57760;C=NNCC(N)C(=C)CC;LOMUSNPXODFPBU-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57761;MM57761;CC(C)(C#N)C(=O)C(N)=O;LDSJCJMIPXJWCM-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57762;MM57762;C=C(C)C(=O)C(C)(O)C#N;QGUMNXXLVHHCKN-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57763;MM57763;CCC#CC(=N)N(C)NC;LTOOQWINVAKPAJ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57764;MM57764;CN(C=N)C=NC=NC=N;UHLQAZDYDPEBHQ-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57765;MM57765;C#CC(C)(C)C(=O)C(N)=O;TXSXKOGVWDDRIV-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57766;MM57766;CN(C=N)C=NC=NC=O;QPUOKENEHZUAOQ-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57767;MM57767;C#CC=C(C)C(CO)NC;KEYVHSOOMQCSIF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57768;MM57768;C=CC=CC(N)CO;GJNVTBUZZVZPRR-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57769;MM57769;CCOCC(=NC)NC=N;ZDTFODCVLQGOAV-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57770;MM57770;C=CC(=NN=CC)C(=N)N;UPARWCHGSLKZLV-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57771;MM57771;C=CN(C=N)OCCC#N;YHIVREZCVXHNFT-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57772;MM57772;C#CCC(=C)N(C=N)C=N;AOQIYMJSHFNIEC-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57773;MM57773;C=CC#CCN;RXVVQAJRHCZTFV-UHFFFAOYSA-N;81.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57774;MM57774;CC1C(N)C1(C)F;CPLCQHGCSLQYLC-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57775;MM57775;C=C(F)C(F)CN;AKKYDSVYWLLVNS-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57776;MM57776;CN(C=NN)OC=NN;WMZQXPMYNVRUOI-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57777;MM57777;C#CC=C(CN)CO;ICPVPRZJSLNAKC-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57778;MM57778;COCC=CC(N)CO;ZTEVFIWIUNMLKW-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57779;MM57779;C=NNCCNN=COC;BEJVOPHYEQAGMC-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57780;MM57780;CC=NN=C(COC)NC;MGQMBTGVMVUWSU-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57781;MM57781;COC(=CF)CN;STVNAXGSGMXLJQ-UHFFFAOYSA-N;105.11;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57782;MM57782;CNCC=CC#N;GZHDJLNHEDZGNX-UHFFFAOYSA-N;96.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57783;MM57783;C=NNC(=N)OCCF;UJMMDTWPXQRHNF-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57784;MM57784;CC=CC#CCN;SGGODVYQMRMTFI-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57785;MM57785;CNCC(C)(F)CF;GPFLKNYQFZSISJ-UHFFFAOYSA-N;123.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57786;MM57786;C=CC=NNC(=N)OC;AUHDKLFNLRTNRZ-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57787;MM57787;C=CN(C=N)OCC;VGBMHMNANTTZLA-UHFFFAOYSA-N;114.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57788;MM57788;NC(C=CC=CF)CO;HHLDPYBVACWZMO-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57789;MM57789;C#CC(=CF)NC=N;HWAIQAFZYJUQBZ-UHFFFAOYSA-N;112.11;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57790;MM57790;COC(CN)=C(C)F;LHBXAROPUAYUFN-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57791;MM57791;C=CC(C)(N)C=NOC;ZHKJNBDWMAXINE-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57792;MM57792;COC(C)(C)CC(O)CO;FRSOHJDYMFJNMQ-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57793;MM57793;COC(C)OC(C)(C)CO;IRQKGISSFZECPK-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57794;MM57794;COC=NN=CC(C)N;RIRXDXOQJQXJBC-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57795;MM57795;CN=CNC(=N)COC;RNDYULSAMKPNDP-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57796;MM57796;CC(C)(CF)CC(O)C=O;ORQVZOZWLYIFKL-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57797;MM57797;CC(C)=C(F)C(F)CN;UFHYJEDWMDJQRM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57798;MM57798;CNC(C)C(C)=NOC;ZGFJIMBDXBKDFM-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57799;MM57799;C=COC(=COC)CN;FWBNVAOMPUSAQG-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57800;MM57800;CC(C#N)CC(C)(O)CO;IANJYWNCHDHBNR-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57801;MM57801;CCC(C)(O)CC(O)C=O;SBSYQZOFWHXLEC-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57802;MM57802;CCC(C)(O)CC(O)C#N;LNPWWYSAMKLLDB-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57803;MM57803;C=CC(O)CC(C)(O)CF;NXXYBMYSHGZLGM-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57804;MM57804;CC(F)(CO)CC(O)C=O;ZNSPERZXSCYOTE-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57805;MM57805;CC(F)(CO)CC(O)C#N;PHMDNTTUQGHDMK-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57806;MM57806;CCOC(CN)=C(C)F;ZODMEOYIAKFXEM-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57807;MM57807;CN(C=N)N(C=N)C=N;ZFYPVHXCTKSNEN-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57808;MM57808;C#CCOC(=CF)CN;JTJHUJVLGWSROI-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57809;MM57809;CC#CC=C(CN)CO;SAHJNZRHNCBOGX-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57810;MM57810;COC(C)(C)CC(O)C=O;VSYFLVUMEGHCTR-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57811;MM57811;COC=CC=CC(N)CO;QHMLYXKHJYFVTL-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57812;MM57812;CC(C=O)OC(C)(C)CO;KCKRWYNXDBBGBR-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57813;MM57813;CC(C#N)OC(C)(C)CO;JCLQUWKEQDRODJ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57814;MM57814;COC(C)(C)OC(C)C=O;DBXCEAXHMKEKBH-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57815;MM57815;COC(C)(C)OC(C)C#N;QRJYMKANQJQEOF-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57816;MM57816;C=NOC(C)(CF)CNC;ZXQCFLGMPLMQHK-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57817;MM57817;CN(C=O)CC(C)(C)CO;XQBALRIWKGMRRN-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57818;MM57818;COC(C)=NN=CC(C)N;LZZQOQWAFYHNHD-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57819;MM57819;C#CCN(C)C(=N)C(C)=O;XJYIQKYHLDHFDF-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57820;MM57820;CN(C=O)CC(C)(O)CO;KTVKKEWSBVODSE-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57821;MM57821;C#CCC(C)NC(=N)OC;MXFCEOCUXJAMBN-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57822;MM57822;CNCC(F)C=C(C)C=O;VKMITFWOSCDZSV-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57823;MM57823;C=C(OC(C)C)N(N)C=N;DAWWESSNBRZFIG-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57824;MM57824;C=C(C)CN(C=NC)NC;XLNWIVQDQGTSTA-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57825;MM57825;CCN=C(C#N)NNC;HEIHYAKHPWLIKR-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57826;MM57826;C=NOC=NN=CC(C)N;HTVXGUZJQQJMKJ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57827;MM57827;CNN=CC=CC(N)CO;CFHWWYGOMCOKAC-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57828;MM57828;C=NN(C=O)C(=N)C(=N)N;CLSMRWHUHRFOHV-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57829;MM57829;C=C(C)C(N)CNN=CC;PXASZBXQWBRLIV-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57830;MM57830;CN(C=O)OC(C)(C)CO;ZXPDJOOVJZLDTH-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57831;MM57831;CN=CNC(=N)C(C)OC;CNHQGGQEYMRZNO-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57832;MM57832;COC(=O)C(F)C#CCN;UTNKWUWZVUGPJY-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57833;MM57833;CON=C(CN)C(C)=CF;RQVPRTPGONFFGC-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57834;MM57834;CON=CC(N)=C(F)C#N;QPTAJHAHUGNJJY-UHFFFAOYSA-N;143.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57835;MM57835;C#CC(COC)N=CNC;RWKSACOAFPWKLB-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57836;MM57836;C#CC(C)CC(C)(O)CO;FZOJXVMHXGXQLL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57837;MM57837;C#CC(O)CC(C)(O)CC;ASGZTYNSXBOLQU-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57838;MM57838;C#CC(O)CC(F)(F)CF;PPRDLKHBYQLRGZ-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57839;MM57839;C#CC#CC(CN)OC=O;QQVFBSHVPHMWTE-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57840;MM57840;C=COC=C(CN)OC=C;GTXVHVOGPNJOPS-UHFFFAOYSA-N;141.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57841;MM57841;CC(C)(C=O)CC(F)CO;UTIGEQFLZLADOO-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57842;MM57842;C=C(C)C(C#N)=CCNC;KQQXAKSXEBUBFA-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57843;MM57843;CC(F)=C(CN)OCCF;SZCZXMOCVXBNGJ-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57844;MM57844;CCOCOC(=CF)CN;ONYMHSUPGUTSSV-UHFFFAOYSA-N;149.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57845;MM57845;CCC(O)CC(C)(O)C#N;AWSAABRMICPFML-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15268;MM15268;C=CC(C)(O)CC(F)CC;VBGXRZSJVYCQPK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57846;MM57846;N#CC=CNC(=N)C=O;QSNQENINAMCVDA-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57847;MM57847;CC(O)(C#N)CC(F)CO;HQLWVLZAGFNIIW-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57848;MM57848;C#CCNC=NCCOC;JCGLSDUFAIBICP-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57849;MM57849;CN=CN(O)C(C)=NO;FBPGYAILNKUQRU-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57850;MM57850;C=C(C#N)NC=N;YRHCFRNRUZSBOA-UHFFFAOYSA-N;95.11;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57851;MM57851;N#CC=NNC(=N)CC#N;RVSXPRMOQHJFPB-UHFFFAOYSA-N;135.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57852;MM57852;COC(C)CC(C)(O)C=O;CNUPSGDGGYZFKB-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57853;MM57853;C=NN=CC=CC(N)CO;NETRWTYIDYDSRS-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57854;MM57854;CC(CO)OC(C)(C)C#N;ZSNGXMZUMBGRKG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57855;MM57855;CC(C)(C=O)CC(O)C=O;WHQBOEHBTXUVRO-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57856;MM57856;CC(C)(C=O)CC(O)C#N;KMLJGCNMGLKBKV-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57857;MM57857;CC(C)(C#N)CC(O)C=O;AEDBRMMZXCWSKH-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57858;MM57858;CC(C)(C#N)CC(O)C#N;FSSFRUARYDBEAG-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57859;MM57859;CNC(C)C=C(F)F;HORAMGJWWINBHO-UHFFFAOYSA-N;121.13;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57860;MM57860;C=CC(C=C)=C(CN)CO;OUFPBYRKRYVGHS-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57861;MM57861;CC(O)(C=O)CC(O)C#N;IDLWGVNCWFMDQF-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57862;MM57862;C=C(OC)C(F)CN;JDROTUYRQDMEAZ-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57863;MM57863;COC=C(CN)OC;PJNOFFNWYLYAJK-UHFFFAOYSA-N;117.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57864;MM57864;C=CC(CN)=NOC;XWMDHSDPHWZNBG-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57865;MM57865;CC#CC#CCNC;FKVVWOUDMUMSCW-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57866;MM57866;C=COC(C)(CN)OC;WYYSVMDSJGVETI-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57867;MM57867;CN(O)C(=N)ON=CC#N;CIWKOTKVTQTMRC-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57868;MM57868;CN(C=O)CC(C)(O)C#N;OYZPSRNYJGMCDJ-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57869;MM57869;C=CCNC(=N)OCC;JQWRDOZRVQZSDO-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57870;MM57870;C=C(C)N(C)C(=N)OC;BAICFICNTMSDLG-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57871;MM57871;C=CCN=CN(C)NC;GBJJWQQJZHJASV-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57872;MM57872;NCC(=CC#CCF)CO;AXRSBQJCWHEKPR-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57873;MM57873;C=C(C#N)C(=C)CNC;ALPTWNLFFWMHLE-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57874;MM57874;CCOC(=COC)CN;YMQATQOWMQPISA-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57875;MM57875;CC=CC(CN)=NOC;PXUNAWKFTBEEKI-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57876;MM57876;C=C(C)C(CN)=NOC;WANJLOBCERHJDK-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57877;MM57877;COC(C)=C(CN)OC;KKNUJJKBUWWAQS-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57878;MM57878;C#CC(O)CC(C)(O)C=C;VBHMCEVETWXVOR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57879;MM57879;C#CC(O)CC(C)(O)C#N;JHUJOMGWABSEGH-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57880;MM57880;C#CC(O)CC(C)(F)C#N;LZGPDCUBDFYNHY-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57881;MM57881;C#CC(O)CC(F)(F)C=O;UWXXWENUMPNAMK-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57882;MM57882;C#CC(C#CCN)OC;VIODUWZEIIDZFP-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57883;MM57883;CCOC=C(CN)OC;ZOPOUKISXTXDTF-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57884;MM57884;C#CC=CNC=NCCO;QNDBGFFEUDBSCO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57885;MM57885;C=COC=C(CN)OC;QDLROCARGRBRPX-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57886;MM57886;C#CC=CCNCC(C)O;HECASGLVZGIMPD-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57887;MM57887;C=CC(CN)=NOCC;MUFRJUJLWCEVPI-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57888;MM57888;CCN(C)CC(C)(F)CN;VIWQUJKRYBHRDV-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57889;MM57889;CN=CN(N)CC(C)OC;RYWFSQAGQLASDT-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57890;MM57890;C#CC(C)(O)CC(O)C#N;FWTWMLXLOWEPOE-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57891;MM57891;C#CC(C)(F)CC(O)C=O;TZRGQVULKWVPEY-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57892;MM57892;C#CCC(N)C=CC(C)O;AJNHCTJZPRXFDJ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57893;MM57893;CC(=NO)N(C)C=NC=N;MGKNYMGFDSEOGD-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57894;MM57894;C=C(OCCC)N(N)C=N;LQVJBMXMWGQJAP-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57895;MM57895;C#CC(=C)C(=N)NCC#N;XAMKSULLASVTMS-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57896;MM57896;COC=CCON(C)C=N;BIOVJVWXUDMXIX-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57897;MM57897;CC(C)(N)CON=CNO;AZGAHTKOPOIPQD-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57898;MM57898;C#CC(O)CC(C)(O)C#C;WSYWFLUOYQWBPX-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57899;MM57899;C#CC=CCNC(=N)OC;OMIDZMQYDUCHEB-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57900;MM57900;CCN=CN=CN(C)C=N;ARNKZKDGVSZTLO-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57901;MM57901;C=CC(N)C#CC#CCN;HLZPGVOEIKMIOH-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57902;MM57902;C#CCCC(=N)NC(C)=O;MAXDWCOZTWBJAO-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57903;MM57903;N#CCC=CC(=N)NC=O;NGJCUJXTFYDDNG-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57904;MM57904;CCC(C)(O)CC(=O)CO;YQWKFHRTPUOONN-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57905;MM57905;C#CC=CC(=O)NC=N;MWRPVRWSWSSPKN-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57906;MM57906;CCC(=O)CC(C)(F)CO;BMRCQTJAHGBREL-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57907;MM57907;CCOC(CN)=C(C)OC;ZEBLPBBJJYNTLN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57908;MM57908;C#CC(C)(O)C(=N)NN=C;QORSRKVVTOZURL-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57909;MM57909;C#CC(=NC)NN=CC#N;IXVMLYXQBIJWKG-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57910;MM57910;CCC(C)(O)CC(=O)NC;GRMMMWSMXFUUEP-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57911;MM57911;CNCC(C#CC=O)NC;ACRKOSYCXYVQLD-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57912;MM57912;CNC(=O)CC(C)(F)CO;ZBYSBOGFAMBQMU-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57913;MM57913;C#CC(C#CCN)OC=O;RBBREUDFUDUHHF-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57914;MM57914;C=C(CC(C)(O)CO)OC;WHAVRPVPXXFQGF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57915;MM57915;CCCOC(=COC)CN;COOORKZYBFAZFN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57916;MM57916;COC(C)(C)CC(=O)CO;UIZDBKAUQXAIGZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57917;MM57917;CON=C(C=CCF)CN;HQCPGXNMNZWOKO-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57918;MM57918;C=CCC(C)NNC(C)=O;CGXHFHRGYTXWON-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57919;MM57919;CCCNNC(=O)C(C)C;KCTUWISWQKSWLY-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57920;MM57920;CNN=C(C=O)N(O)C=N;WIBRCXJCXMICET-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57921;MM57921;CC(C)(CO)NC(=O)CF;JGSJIZBYVZJPFV-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57922;MM57922;C#CC(=CCO)NC=NC;ZQHWNBKPBNASFI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57923;MM57923;C#CC(=NC)NCCO;JEVFYPRYZNLHOM-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57924;MM57924;CNC(=O)NC(C)(C)CO;SMEJDOFWKJVFCT-UHFFFAOYSA-N;146.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57925;MM57925;CNC(=O)NC(C)(C)CF;KOQRJFFWZLCAGB-UHFFFAOYSA-N;148.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57926;MM57926;C=C(CO)OC(C)(C)CO;WARFTULMWSZXFW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57927;MM57927;C#CC=CC(CN)=NOC;DJSQCOAJXLXDGO-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57928;MM57928;C=NNCC(CO)=NNC;FNDXLCKSPORKEV-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57929;MM57929;CC=CC(CN)=NOC=O;KIPYYAPJJIWGRK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57930;MM57930;COC(C)(C)OC(=O)CO;NADDMBKPCQYHMR-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57931;MM57931;CN=C(NC)OCC=NN;LMWPRDPTRATVGQ-UHFFFAOYSA-N;144.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57932;MM57932;CC(C)(CO)CC(=O)C#N;YFQGDHNIBYIZEF-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57933;MM57933;CCCOC=C(CN)OC;BBXREXQLOPXEGH-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57934;MM57934;C=C(C#N)CC(C)(O)CO;IQKFKXOXFKHLEI-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57935;MM57935;C=C(C=O)CC(C)(F)CO;WKYZCTIOWCXOPS-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57936;MM57936;C#CCON=C(C=C)CN;CERCVYZEQVHTGS-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57937;MM57937;CCC(C)(C)NC(=O)C=O;YQIRDMXARFSRRL-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57938;MM57938;C=CC(=O)NC(C)(C)CO;WHJNQEHPYYGWGL-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57939;MM57939;CC(C)(CO)NC(=O)C=O;OATGBAZPMTZOAH-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57940;MM57940;CC(C)(CO)NC(=O)C#N;GIDXHKWWCIPJPS-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57941;MM57941;C=C(C=O)OC(C)(C)CO;YHEVICWZMDMKRX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57942;MM57942;COC(C)(C)OC(=O)C=O;BOIKFHCIGBUFHZ-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57943;MM57943;COC(C)(C)OC(=O)C#N;UMDDYJCKFZNYTB-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57944;MM57944;C=NNCC(O)CC#CC;PCVASUIGDGGFLO-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57945;MM57945;CCNC(C#N)C(N)=O;SHZUGEGNCQMVMR-UHFFFAOYSA-N;127.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57946;MM57946;C#CC(=O)OC(C)(C)OC;HCNLQCDVSUPOPL-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57947;MM57947;COC(=COC=CF)CN;KZVGKTFVJYNYRS-UHFFFAOYSA-N;147.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57948;MM57948;CON=C(C)N(C)O;KLDIXYBNMQNAPL-UHFFFAOYSA-N;118.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57949;MM57949;CCC(=O)CC(C)(O)C#N;IZIHMJYKYWMACM-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57950;MM57950;CC(O)(C=O)CC(=O)CO;QPFNPOFUCRICAE-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57951;MM57951;C=CC(C)(F)CC(=O)CO;CGHNQYUZIFUBGY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57952;MM57952;CNC(=O)CC(C)(C)C#N;MUWAVAGASNZBHS-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57953;MM57953;C=CC(C)(O)CC(=O)NC;RIEAIDRWGFSLNK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57954;MM57954;C#CC(C#C)C(=N)NC=N;IVOIJEFSKOPBLO-UHFFFAOYSA-N;133.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57955;MM57955;CCC(=NOC)N(C)O;CMBHFOPINLKGSP-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57956;MM57956;C=CC(C)(C)NC(=O)CO;WJVVZNUNIHFZPJ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57957;MM57957;CC(C)(C#N)NC(=O)CF;QZBBCOFFZUNSGJ-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57958;MM57958;C#CC(C)N(C)C;QNDMMDXLXPLISP-UHFFFAOYSA-N;97.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57959;MM57959;C=C(C)C=NOCCO;UMCBXYOICUJBQA-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57960;MM57960;C=CN(C=N)OC;SJGFRLIHQALVQC-UHFFFAOYSA-N;100.12;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57961;MM57961;C=NNCC=COCCO;XPJFYVRZNANKSV-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57962;MM57962;CNC(=O)NC(C)(C)C=O;PVLTXHPSKPHJFK-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57963;MM57963;CC(C)(C#N)NC(=O)NO;UHLFGDPDCIDTLV-UHFFFAOYSA-N;143.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57964;MM57964;C#CC#CCNC;MTQDPKBQOYXIOJ-UHFFFAOYSA-N;93.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57965;MM57965;COC(=O)NC(C)(C)C#N;VUACGGLPPMLLSG-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57966;MM57966;CC(C)ON(C)C=N;RSLGUCSXURNJJP-UHFFFAOYSA-N;116.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57967;MM57967;COC(C)(CN)OC;CJZOSFDKUBPWHD-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57968;MM57968;CCNN=C(N)C(=O)NC;UZYYPERYFXKFPK-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57969;MM57969;CNC(=O)OC(C)(C)C=O;QHDDUELFICFHEX-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57970;MM57970;CNC(=O)OC(C)(C)C#N;YRQWJJNOGVHRFA-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57971;MM57971;C=CC(=C)CC(C)(O)C=O;JXHSTOBYLFGUPB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57972;MM57972;C=C(C=O)CC(C)(O)C=O;IEZLVYZKFSOUSS-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57973;MM57973;C=C(C#N)CC(C)(O)C=O;WOXBYLOZJRNKEP-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57974;MM57974;C=C(C=O)CC(C)(O)C#N;XDVVSISWMKAQKW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57975;MM57975;C=CC(C)(O)CC(=O)C#N;LKXCQJOTYPMRPZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57976;MM57976;CC(O)(C#N)CC(=O)C=O;OWMDASCJDWDWQM-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57977;MM57977;CC(O)(C#N)CC(=O)C#N;SFFVIPWEXNMDMK-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57978;MM57978;C=CC(C)(F)CC(=O)C=O;KRZDLLMRPPEZMC-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15570;MM15570;CC(F)(C#N)CC(=O)C#N;NAHHRTWLSCNVAO-UHFFFAOYSA-N;140.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57979;MM57979;CCC(C)(C=O)NC;DDOOWNSGXDRKTQ-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57980;MM57980;COCC(C)NCCO;CDQHIVWHUYASLI-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57981;MM57981;CC(C)(C=O)NC(=O)C#N;KKGUHHPHLFNWFR-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57982;MM57982;CC(C)(C#N)NC(=O)C#N;JTSBMJIWDIIRJZ-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57983;MM57983;CC(C)(C=O)OC(=O)C#N;HCJWSAWTUSUYEG-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57984;MM57984;C=CC(C)N=CNN;JVYJPRPQWGRDCO-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57985;MM57985;CN(C=N)C=NC=N;SQJZZVQKWWHPGC-UHFFFAOYSA-N;112.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57986;MM57986;C#CC(=O)NC(C)(C)C=O;ILCBFNLCGBYDPZ-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57987;MM57987;C#CC(=O)NC(C)(C)C#N;GERRSAAFBRFCMT-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57988;MM57988;C=CC(F)C#CCN;YIVNBJCWXZNEGG-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57989;MM57989;C#CC(C)(F)CC(=O)CO;RAKOEZMVVGRQFG-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57990;MM57990;CNC(=N)C#CC#N;PAIMEVXSNKLTNH-UHFFFAOYSA-N;107.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57991;MM57991;C#CC(C)(F)CC(=O)NO;QXNSQDFWVRSUFT-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57992;MM57992;N#CC(CF)NC=N;OHXBKQKHCIVLKJ-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57993;MM57993;C#CC(C)(O)CC(=O)OC;AXEMTGZJDCNNLH-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57994;MM57994;CCN=CNCC#N;KDIJQBUSFVZZOM-UHFFFAOYSA-N;111.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57995;MM57995;C=CC(F)C(=CCO)CN;RSJKSBSRCHXYGN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57996;MM57996;C#CC(C)(C)NC(=O)NO;IVXIJYPAFDBGRJ-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57997;MM57997;C=CN=CNCC#N;YEGGOOVXJSUBNS-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl N-(2-methylbut-3-yn-2-yl)carbamate";MM01821;C#CC(C)(C)NC(=O)OC;OLJOKILLUTWOGI-UHFFFAOYSA-N;141.17;0.75;13199248;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57998;MM57998;C#CC(C)(C)OC(=O)CO;CHHKFZJMCLENCC-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM57999;MM57999;CCOC(C)(CN)OC;IWEOJZJHIBBIOV-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58000;MM58000;C#CC(C)NC(C)C=C;RTJGOJIWMFKHIJ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58001;MM58001;C=CC(F)=C(CN)CCO;HOAHEFAVTBMXSF-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58002;MM58002;C#CC(C)(C)OC(=O)NO;OZKNUCOXFZODCO-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58003;MM58003;C#CC(C)(C)OC(=O)OC;WQXSWJFFBKZPPJ-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58004;MM58004;C#CC(C)(O)CC(=O)C=C;SALPTZWVAZNNHF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58005;MM58005;C#CC(C)(O)CC(=O)C=O;SKUVWNITDHZPEA-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58006;MM58006;CN(C=N)C(=O)CN=CN;CLEGUBZHRGCYNJ-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58007;MM58007;C#CC(=O)CC(C)(O)C#C;NKUHIZBTYQLSIG-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58008;MM58008;CC(CCF)NCCF;QYELDFQPPDCZME-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58009;MM58009;C=C(C)C(F)C#CCN;WCYSHTTYSJNYFS-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58010;MM58010;C=NOCCCO;RTDKRTVSQYRFNR-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58011;MM58011;COC(=N)NN=CCC=O;NXDGMKXHSVFCRQ-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58012;MM58012;CC(=NO)OC(C)(C)CO;JZQJVYQVJWQADL-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58013;MM58013;C=CN(C)C=NCC=O;ATJDZYFFOQLPIR-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58014;MM58014;CC(CC(C)(F)C#N)=NO;UFDHEXNGYQHIMG-UHFFFAOYSA-N;144.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58015;MM58015;C=CN(NCCC)C(N)=O;SRPKRPPPHNNCNK-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58016;MM58016;CC=NNC(C)CNC=O;AXPIXSXXJHEXGA-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58017;MM58017;CC=NN(C)CCC=O;FXAWIXRUKKXVQZ-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58018;MM58018;COCCON(C)C=N;FWSNKILLWLENKO-UHFFFAOYSA-N;132.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58019;MM58019;C=C(OCC)N(N)C=N;LZGIODHVBPBPIW-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58020;MM58020;N#CCN(C=N)CCF;XPGFWUAFXJFZFM-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58021;MM58021;CCC=C(C=O)N=CN;GZNYBIIERZWFLQ-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58022;MM58022;C=C(C)C(C=CF)NC;STUZFNXUDZPMAL-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58023;MM58023;CC(C=O)CN(C=N)C=N;IFDWIMPUNWVEPF-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58024;MM58024;CCNC(=N)C=NNC=N;WWKPLOWZAHEHJM-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58025;MM58025;N=C(NN)NOC=NN;CQFZOUAMXWEXAJ-UHFFFAOYSA-N;132.13;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58026;MM58026;C=NNC(=NN)C(=N)N;WLMDJQHXZGGALZ-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58027;MM58027;CNN=C(N)CC=CC=O;ARLMQXLAZWKAAE-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58028;MM58028;COC(C)=CC(C)(O)CO;HMAURGORNJQFFD-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58029;MM58029;CCC(CN)(OC)OC;DAHLGHZXTGMQTA-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58030;MM58030;C#CC(C#C)C(C)(N)C#C;RSXXQSLFGHTFOF-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58031;MM58031;C#CC(N)C=C(F)C(C)N;WGKQJQOABKRWKG-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58032;MM58032;CNN=CON(C)C=NN;WJBZDVKAYVSGFP-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58033;MM58033;CC(NC=N)=C(F)CC#N;YQUVDGFLWCNHNE-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58034;MM58034;CC(F)=C(F)CN(N)C=N;PFXYKAFSHRBXIR-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58035;MM58035;COC(C)=CC(C)(O)C=O;TZFYNVMZYBZHAW-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58036;MM58036;CC(C#N)=CC(C)(O)C=O;VCOIWRWGROYZRX-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58037;MM58037;CC(C=O)=CC(C)(O)C#N;PLKJLRPOYALSHM-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58038;MM58038;C#CC(C)(O)C=C(F)CO;XKUFOCKIKKMCND-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58039;MM58039;C=CCC(=N)N=CN(C)C;IZDKHSQUSYNGQH-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58040;MM58040;C=C(F)C(=N)NC=CCN;YPCJIEYUXCGBOQ-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58041;MM58041;C=NOC(=O)C(=C)C(=N)N;QNYFUNGPGJOBGD-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58042;MM58042;C#CC=C(CC#N)CNC;CGRBPSGJTGXPPB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58043;MM58043;C=CCN(OCC)C(C)=N;YYIRKSFFYOEJDA-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58044;MM58044;C=CCOC(C)(CN)OC;FDXOZAIVSUQSAF-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58045;MM58045;COC(C)(C)OCC(C)O;BYVWOHINVDAIIC-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58046;MM58046;C=NNC=NNC(C)(C)C;NJZBDBOSEYTFTL-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58047;MM58047;CC=CNC(=N)OCC#N;QGTPKBUQQHNCDB-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58048;MM58048;C=NNC=NNC(C)CC;XSDJFXBZTSSWRF-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58049;MM58049;CC(O)CCC(C)(O)C=O;QJYQCFCZRONKOJ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58050;MM58050;CC(O)CCC(C)(O)C#N;QYOZEBNMQZMKGM-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58051;MM58051;CC(OCCN)C(=O)NO;KUISSJAQVDVMGV-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58052;MM58052;C=NN(C)C(C)=NNC;KWUHOYRAFJTXHZ-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58053;MM58053;CCOCCON(C)C=N;WBSPBMCJNZGTDG-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58054;MM58054;CCCNCC(C=O)C=O;NHCIAWQPAYXAIL-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58055;MM58055;COC(=N)NCC=CC=O;UMGDKUGUAHQQJV-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58056;MM58056;C#CC(=NN)N(CC)OC;OTLBZOWINMJLGM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58057;MM58057;COC(=N)NC=CCC#N;VQBHLMNIQJGPSV-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58058;MM58058;C=NNC(C)COC=NN;LBYDQHZRPFCWRH-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58059;MM58059;C#CC(=N)N(C=CC)NC;WMNYXNAJGZTTRM-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58060;MM58060;C#CC(C#C)=C(CN)OC;NDBAFDSVNNITAM-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58061;MM58061;C=CC(=O)CNN=C;SLWLOBGJJWQVHZ-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58062;MM58062;C=CCN=CN(C=C)C=N;PYXCNUPWDXMJDB-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58063;MM58063;CCN(C=N)C(=N)COC;KIFHHFXUCMBTLF-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58064;MM58064;CC(F)C#CCN;HKPHLQBQWUCZOX-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58065;MM58065;CC(=O)C(=N)NC=CC#N;YFPILRBNUHZRJT-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58066;MM58066;CC(=O)CCC(C)(O)CO;IPFYKHKHJPXBGQ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58067;MM58067;C#CC(=O)NN=CC(=N)N;NIDRHUOMIBMRKR-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58068;MM58068;C=NOCCNC;URDJOAJWLBRIIZ-UHFFFAOYSA-N;102.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58069;MM58069;N=C(N)C=NNC(=O)NN;ASJARSFVSKGAPS-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58070;MM58070;CC=NOCCNC;IKYMQDYHVHXYBS-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58071;MM58071;N=CN(N)CC(F)=CF;YEZRUHWUAUEZSH-UHFFFAOYSA-N;135.12;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58072;MM58072;CNCCON=C(C)C;ICINWMSLJNDNKW-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58073;MM58073;CCC(C)(O)CNC(C)=O;NDAHICOUWIUVCE-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58074;MM58074;CCC(C)(F)CNC(N)=O;PVRLEAUQJIBZQH-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58075;MM58075;COC(C)(C)CNC(C)=O;QDGQGSDBUUFLEO-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58076;MM58076;NCC#CC(F)CCF;CYOAXLZOYWRBDS-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58077;MM58077;CC(C)CC(=O)NC(=N)N;YSSDTZCCHXPXDE-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58078;MM58078;CC(=NC=CF)NC=N;YHCODTDTXUUGIC-UHFFFAOYSA-N;129.14;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58079;MM58079;C=C(C)OCC(C)(O)CO;ZEJAYIRRSCMAIF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01824;MM01824;CCC(C)(F)COC(N)=O;VOGMOKZUQOVZMX-UHFFFAOYSA-N;149.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58080;MM58080;C#CC(=N)N(N)C(=C)C;UPMXMTJYDSIIMH-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58081;MM58081;COC(C)(C)COC(N)=O;OPBRQTXEMOEJLT-UHFFFAOYSA-N;147.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58082;MM58082;C=NN=CC(=N)N(C)C;DVUUYRMXDIVJBS-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58083;MM58083;COC(=N)NC(=N)C#N;PANRFKMHXXIWAB-UHFFFAOYSA-N;126.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58084;MM58084;C#CCN(C=N)N=CCF;SJCVANFIWSLTIZ-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58085;MM58085;CN(C=N)OCCC#N;YGDVIFSLKJBQDH-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58086;MM58086;C#CCNN=CCC=NN;FTXMBSFZAHFVTD-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58087;MM58087;C#CCCON(C)C=N;KZGLHQXNOHHJST-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58088;MM58088;C=NN=CC=C(N)CN;RBYPPKDBHWRQID-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58089;MM58089;COC(C)(C)OCC(N)=O;MMCFSBOEYIOFHY-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58090;MM58090;CC(=O)NOC(C)(C)CO;AFIQOWUHYJYPND-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58091;MM58091;CC#CC(=N)N(C)NC;MVHYIYWWPPDUDJ-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58092;MM58092;CN(C=NO)NCCC#N;GNFAQOPYGYQDIO-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58093;MM58093;C#CC(NCC)C(=C)C;DXPQMZKXXPDEFT-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58094;MM58094;CC=CN=CNC(=O)NC;IHHTYCJHSUSMPZ-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58095;MM58095;C#CC(C)(N)C(CC)OC;ZYQSASVGYIVTSK-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58096;MM58096;C=C(C)C(=O)NNC(C)C;YYKDGNGAWSJTIS-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58097;MM58097;C=C(C)CCC(C)(O)C=O;ZDVMMNAKPPBDRH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58098;MM58098;CC(=O)CCC(C)(O)C=O;RFPWOLFYOFOJMD-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58099;MM58099;CC(C)C(C)NNC=O;SFFXUZFUTQZXTR-UHFFFAOYSA-N;130.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58100;MM58100;C=CC(C)(O)CCC(=O)O;XXMGSEHTDSJRKN-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16239;MM16239;CC(F)(C#N)CCC(=O)O;AAGBAIQETCUGDC-UHFFFAOYSA-N;145.13;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58101;MM58101;CC(=O)NCC(C)(C)C#N;HIWUSPMLOUUDSB-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58102;MM58102;C#CC(=O)OC(=C)NC=N;SFPYJLYKWWPXDT-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58103;MM58103;CNCCON=CC(C)C;BEXWTLNTFDHOQK-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58104;MM58104;C=CC(C)(O)CNC(C)=O;NFUSKBWJHDYWBP-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58105;MM58105;CC(O)(C#N)CNC(N)=O;HZJPWQVVGAUJHV-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58106;MM58106;CC(C#N)CON(C)C=N;RMVOJMRZISZBQG-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58107;MM58107;CC(F)(C#N)CNC(N)=O;MWOACGFSNMKBOJ-UHFFFAOYSA-N;145.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58108;MM58108;C#CC(=N)NC=C(C)OC;MRQMNTALRJAHCI-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58109;MM58109;CC#CCC(=N)NCC#N;LYNVFHROOHHJDT-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58110;MM58110;NN=CCCCC(O)CO;KAJUCIRDPANAJE-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58111;MM58111;C=C(N=CNN)C(C)OC;SCOWNPWKWREHFV-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58112;MM58112;C=CNC=NN=C(C)CO;CNSNHVYXIICYOQ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58113;MM58113;CC(=O)COC(C)(C)C=O;SXKDIBONUALHQR-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58114;MM58114;CCC=CC(=N)N(N)C=N;RQSLTPAUZLQYCY-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58115;MM58115;C=CC(C)(C)OCC(N)=O;JFRYEUPEOWTKRI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58116;MM58116;CC(C)(C=O)OCC(N)=O;NUAORTBWRUFLPI-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58117;MM58117;CC(C)(C#N)OCC(N)=O;WKEKYRMUNVBRBP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16188;MM16188;CC(C)(C#N)OCC(=O)O;FGHJQHPLCOHPDS-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58118;MM58118;CCOC=C(C)N(N)C=N;BGAMKKNVMQHPIL-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58119;MM58119;N=C(N)C=NNC(N)=O;DADPJSPBAYQRCJ-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58120;MM58120;CC=CC(O)(C=O)CNC;ZMLBNSZKFCTTMF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58121;MM58121;C#CC(C)(O)CCC(C)=O;YPXFCHRUDSZOHX-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58122;MM58122;CNCC#CCN(C)C=O;IGEPXMAPVBBFIE-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58123;MM58123;CNCC#CCN(N)C=O;HVMRIKSZWHNEAN-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58124;MM58124;C=CCN(OC)C(=N)CC;WOYQKJNDFRTMGZ-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58125;MM58125;C#CC(C)(C)OCC(N)=O;PKHXYGQIFMGSMF-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58126;MM58126;C#CC(C)(C)ONC(N)=O;WSHSXFVHOPNTSC-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58127;MM58127;C#CC(=NC=N)N(C)O;ZDAJEUCBLDSHMD-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58128;MM58128;N=C(N)N=C(NO)NO;SPLQCTMHRZANOL-UHFFFAOYSA-N;133.11;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58129;MM58129;CC=C(OC=O)N(C)C=N;VKIHSTHDXASWHT-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58130;MM58130;C=CC(O)C(F)=CCN;CVZCZIAQVMDZFA-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58131;MM58131;C=CC(C#CCN)OC=O;WDWZGHWKVJBFHA-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58132;MM58132;COC(C#CCN)C=CF;PVWDZGGDJJXFBA-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58133;MM58133;CC(C)C=CC(C)(O)C=O;RNGNVIBHAPRBFK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58134;MM58134;CC(F)C=CC(C)(O)C=O;UYEJHDZOAYWFFU-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58135;MM58135;C=CC(=NC=COC)NN;OMPPJSYRVZFSHS-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58136;MM58136;CC(C)=C(CN)C(O)CF;HTYRQFYPVZQLBG-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58137;MM58137;CN(C)N=CC(C)(O)C#N;YSDBMMJONCTBOI-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58138;MM58138;CCOC=NOCCNC;FHZCUCULKIVXTL-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58139;MM58139;NCC#CCF;JYVABMNSWSEPFZ-UHFFFAOYSA-N;87.1;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58140;MM58140;NCC1(O)CC1O;LILGCKIFASLFMP-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58141;MM58141;CCON(C)C=N;LVNAQXWPMBVZAY-UHFFFAOYSA-N;102.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58142;MM58142;NCC1(F)CC1N;OHTIBRSTWUPJHU-UHFFFAOYSA-N;104.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58143;MM58143;C=C(CO)C(C)=NN(C)C;LBIHIFSVGJPWBS-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58144;MM58144;NN=CCCC(O)CCO;CZRUPEASBBWRIZ-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58145;MM58145;CCC(O)C(F)=CCN;FWCLMRRBSRQRJK-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58146;MM58146;CC(C)(O)C(F)=CCN;DPYPVXKVQZTBMN-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58147;MM58147;C#CC1CN1C=N;MNVDEDNHXHUGKN-UHFFFAOYSA-N;94.12;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58148;MM58148;CCC(CN)=C(F)CO;GVZUYSOHHJPLEI-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58149;MM58149;CC(=O)C=CC(C)(O)C#N;CLKMJEWHPWMRRL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58150;MM58150;C=CC(C)(O)C=CC(N)=O;VYZKBFOUWVLUHV-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58151;MM58151;NCC(F)(CF)CF;FOZNFVUZSFUIEM-UHFFFAOYSA-N;127.11;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58152;MM58152;NN=CCCCOCCO;JLTCPULBUGUKMU-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58153;MM58153;CC(O)C#CC(C)(C)CO;HIGUUEGESHFYIU-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58154;MM58154;C=C(CN)C(C)(O)C=CF;OTGJLOVJTCSTMO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58155;MM58155;NCC=C(F)CO;FAMSNFHHCYLNOT-UHFFFAOYSA-N;105.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58156;MM58156;CC(NCC#N)C(N)=O;UZZNYGPLAFIIFT-UHFFFAOYSA-N;127.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58157;MM58157;CC(O)C#CC(C)(O)CF;ZUBTWGRQTXVEIB-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58158;MM58158;CC(F)C#CC(C)(O)CO;WEQPOLDJAOTNED-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58159;MM58159;CC(O)C#CC(C)(F)CO;RCEBDPQXFQFOML-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58160;MM58160;C=C(OC)N(N)C=N;YGLFDJRYJUGRHV-UHFFFAOYSA-N;115.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58161;MM58161;CCCON(C)C=N;PEAYSZHAMPZXSZ-UHFFFAOYSA-N;116.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58162;MM58162;C=CCNC(=N)OC;VRDBNPVGHSVCBN-UHFFFAOYSA-N;114.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58163;MM58163;C=CC(N)C(O)C=CCF;NCJCTQBBDPIZJZ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58164;MM58164;C=CC(C)(O)C#CC(C)O;KVPMOQOUCHASTH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58165;MM58165;CC(O)C#CC(C)(O)C=O;NDHCCXIFXAJPFU-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58166;MM58166;CC(O)C#CC(C)(O)C#N;ZVLBHVLWIZAIJE-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58167;MM58167;CC(F)C#CC(C)(O)C=O;CZJQWVVACYBWKJ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58168;MM58168;CC=C(C=O)N=CN;GMPWHSURLWKZEG-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58169;MM58169;C=CC(N)C(O)C=C;FMDOPMPWAGSBQV-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58170;MM58170;C#CC(C)(O)C#CC(C)O;DAMMPJSCBZJCKL-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58171;MM58171;CC(C)(C#CC(N)=O)CO;MIYZKHUIXVUQDD-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58172;MM58172;CC(F)=CC(=N)NC=N;HXZRNHPKERTQHW-UHFFFAOYSA-N;129.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58173;MM58173;CCOCC(N)C(C)(C)O;VBZYCANJLLIMEM-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58174;MM58174;C#CC(C)(N)C(C)OC;QZGNNWXAKCRNBY-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58175;MM58175;N=CNC(=NCCO)NO;PSRAQPYGUUGTNP-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58176;MM58176;C=C(C)C#CC(C)(O)CO;RQFDSPQZTIJAFF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58177;MM58177;CC(=O)C#CC(C)(O)CO;PPXFWENSBPGAOA-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58178;MM58178;CC(=O)C#CC(C)(O)CF;FRTDQRYJIFWDHM-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58179;MM58179;CC(=O)C#CC(F)(F)CO;QWIAOUAJTWXBRJ-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58180;MM58180;COC(C)(C)C#CCN;JBFHKRZJTJOOOH-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58181;MM58181;COC(C)(C)C#CC(N)=O;QKSOFOJVIBUQMP-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58182;MM58182;C#CC(N)(CC)COC;FJYJTUILFNVSHG-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58183;MM58183;C#CC(C)NCC(=C)C;GPULYRRRLLRVSW-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58184;MM58184;CC(C)(C#CC(N)=O)C=O;BAPCUGDEZRKJMJ-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58185;MM58185;CC(O)(C#N)C#CC(=O)O;NWFLSYFWDMUYEA-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58186;MM58186;COCCN=CN(C)N;APQJXYVUEPTZSP-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58187;MM58187;CC(F)(C#N)C#CC(N)=O;ILUVEYWCCPPDNY-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58188;MM58188;C=CCCON(C)C=N;WISIRBVKNKUZCC-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58189;MM58189;CNCC(C=NN)=CF;MBEBTRQSOGHCJD-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58190;MM58190;N#CC(F)(F)C#CC(N)=O;ISIGWTWSBIHGII-UHFFFAOYSA-N;144.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58191;MM58191;C#CC(C)(O)C#CC(C)=O;FTXPSDMNLWRUSN-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16236;MM16236;C#CC(C)(O)C#CC(=O)O;FYQJTHIXVPGVLW-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58192;MM58192;CCC(C(=N)N)=C(F)F;HNXIBSQHEUBFFT-UHFFFAOYSA-N;134.13;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58193;MM58193;C=CC(C#CCN)OC;BXHQJAMQTJUEIZ-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58194;MM58194;C=CCN(CC=O)N=C;NLKSDECVGQHBGC-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58195;MM58195;COC(C)(C)C(C)(F)CO;HPSPIZSHYRYTFA-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58196;MM58196;CC(C)=C(CN)C(C)(C)O;JJAXKWGSGXMALV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58197;MM58197;COC(C)(C)C(C)(O)C#N;UYCZRUXDMVYXDM-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58198;MM58198;CC(C)(C#CCN)OC=O;UADIFAYRUAKDQM-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58199;MM58199;CNN=CC=CCNC=O;YGAAPIYDIYJTKN-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58200;MM58200;C#CC(C)(O)C(C)(O)CC;BDWZXJAHIMCKFU-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58201;MM58201;CNN=CC(C)(F)C(C)N;VECCZNVVYWPVNU-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58202;MM58202;CN(C)CC(F)C#CCN;PGHUZDOKFMBEOO-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methoxy-3,4-dimethylpent-1-yn-3-ol;MM01950;C#CC(C)(O)C(C)(C)OC;OSISGAPNMLQRTF-UHFFFAOYSA-N;142.2;0.8;130488166;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58203;MM58203;CC(O)(C#N)C(C)(O)C#N;DSWPDSOTTIOPSO-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58204;MM58204;C=CNC(=N)OC(C)OC;RBPAYDVRBLQIDZ-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58205;MM58205;CCC(=CF)NC(=N)NO;GLLMZZNHOKOLRH-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58206;MM58206;CNN=CCCC(=O)NC;NPYPMNWIZLEWJW-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58207;MM58207;C#CC(C)(O)C(C)(O)C#N;VTEXDBLAUSDKKK-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58208;MM58208;C#CC(C)(O)C(C)(F)C#N;ZGNLEMZNODFGOA-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58209;MM58209;C#CC(C=NN)CN(C)C;VASIDZQABSZUIX-UHFFFAOYSA-N;139.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58210;MM58210;CNN=CCC(C)C(N)=O;LLYFJHQGWJGBMX-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58211;MM58211;C#CC(C)(O)C(C)(O)C#C;SKLPQBFDKKGMCW-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58212;MM58212;C=CNC(=N)OCON=C;ZWHXFVNIGZXUBE-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58213;MM58213;C=CCN(C)C(=N)OCC;DVQBPURQAQLVJE-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58214;MM58214;C=CCC(O)CN(C)C;GCZKJUBNGJDKGP-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58215;MM58215;CC=CC(N)C(F)CNC;GXGMXJQHQFMNRA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58216;MM58216;C#CC(NC)C(F)C(C)N;TVYCFBGLHLHFNR-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58217;MM58217;C#CC(CC)(COC)NC;VZIWINMEYIPRBD-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58218;MM58218;C=CC(C=O)CCON=C;MNTRDFKIOICJLQ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58219;MM58219;C#CCOC(=N)NC=CC;WHGSEFCRZOTGBB-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58220;MM58220;CON=C(C=CN)C(C)=O;JMRXTIACULXLEO-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58221;MM58221;CONC(=NN)OC;ZJUVKWGKESGIDH-UHFFFAOYSA-N;119.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58222;MM58222;C=NNCC=NNC=NN;RRGFKFXJYUFGCK-UHFFFAOYSA-N;142.17;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58223;MM58223;C=NN=CON(C)C=NN;BAWKQICFQREFCQ-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58224;MM58224;CC(C)CC(O)(CO)CO;AOBMWYSQVOIVAA-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58225;MM58225;C#CC(=O)C(N)=NC=CC;WXEVJFMRYCFAMP-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58226;MM58226;CCC(O)(CO)CC(C)F;UFYXKKXQRWESHF-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58227;MM58227;C#CC(C)C(=N)NCC#N;FVYGWIQIIWRZAO-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58228;MM58228;CN(C=N)OCCCC#N;XLIOXBBQCGCGCW-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58229;MM58229;COC(=N)NN=CCC#N;JKNPWJJWPBOOMK-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58230;MM58230;COC(C)(CO)CC(C)O;NVDAKURZBVMTBA-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58231;MM58231;C=NN=CC(=CF)CNC;WCEIARHARQMPEP-UHFFFAOYSA-N;143.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58232;MM58232;C#CC(=C)C(=NC)N(C)N;IIXGXIRXKMTZCY-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58233;MM58233;C=CC(CN=CNN)OC;DHCBQBTWKHYZGQ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58234;MM58234;C=NNC(=N)OC(C)CF;QZSDYCMOIMYPMA-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58235;MM58235;CON=CCN;MZPFDEKDPJUGHH-UHFFFAOYSA-N;88.11;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58236;MM58236;CC(O)CC(C)(C=O)CF;QQKFTBTXRRUVJI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58237;MM58237;C=C(F)C(=N)NC;XDOQAAZWUWJGDQ-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58238;MM58238;CC(C)CC(O)(C=O)CO;NLHKQLMGTHEUIE-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58239;MM58239;C=C(F)C=C(CN)C(C)O;PMLBVTKUGGWSGH-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58240;MM58240;C=CC(O)(CF)CC(C)O;NAUAYUPHLGWMMM-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58241;MM58241;CCON=CCN;XPZKZHSCIQVANX-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58242;MM58242;C=NNC=NN(C)C(C)C;IEHQSFKMPIZCFY-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58243;MM58243;NCC=NOC=O;WKVZDHPFHYISOW-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58244;MM58244;CNN=CC(F)=C(N)C=O;HWXYWKOQXQWQNS-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58245;MM58245;CC(C)ON=CCN;WEHASHMWNCOTNH-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58246;MM58246;C#CC(=C)C(F)CN;LBUAJFPDEFHNMR-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58247;MM58247;C=CC=C(CN)C(C)O;UJECOYPYSUUIFQ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58248;MM58248;C=C(C)C=C(CN)C(C)O;DBNUESGBIPHROP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58249;MM58249;CON=CNCC#N;RVBLGJZHXXHLDG-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58250;MM58250;CNC(C=O)C(C)C;BWMRKZGGMCOFCY-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58251;MM58251;CCCON=CCN;YWHOMPASIPISRH-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58252;MM58252;C=CCON=CCN;PAZQWOMRXNYXTG-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58253;MM58253;C#CCON=CCN;QPKQHWQYTAKHLK-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58254;MM58254;CC(C)=C(CN)C(C)O;FTAUNXJOMURGMX-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58255;MM58255;CC=NNCC(C)C=NO;UVLCRPLKECLZAD-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58256;MM58256;C=NOCC#CCN;PMHSJCPCUBRPFS-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58257;MM58257;C#CC(O)(CO)CC(C)C;BBKABCNHBKKEKW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58258;MM58258;C=CC(N)C(C)(C)C(C)O;NQJVFCBVTGNWLE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58259;MM58259;C#CC(F)(CO)CC(C)O;WHASAFZAELPKET-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58260;MM58260;C=CC(N)(CF)CCF;KJEMSHNCSRHTPX-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58261;MM58261;C=C(CO)C(F)=CCNC;WWWHJBGLJYEUEX-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58262;MM58262;C#CC(C)(NC)C(=C)C;VUFMRWSIBAHFBL-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58263;MM58263;CC(C)CON=CCN;SWPVMZKTUHHFLS-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58264;MM58264;N=C(NO)C(=O)NN;BNUVRCPMKNWDQH-UHFFFAOYSA-N;118.1;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58265;MM58265;CC(F)CON=CCN;GDRWRRCEDUNCOA-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58266;MM58266;OCC=NN=C(NO)NO;PSHUEXQYDLHHFD-UHFFFAOYSA-N;148.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58267;MM58267;CC(O)CC(C)(C=O)C=O;HJHDTLVGSJSHRP-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58268;MM58268;CC(O)CC(C)(C#N)C=O;ZFQPDNYDSFPQNG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58269;MM58269;CC(O)CC(C)(C#N)C#N;LZQUFOFTKIJQHC-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58270;MM58270;CC(C)CC(O)(C=O)C=O;QSSGGIFUGDJMOG-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58271;MM58271;CC(C)CC(O)(C#N)C=O;SMMRDMWHBIRFLH-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58272;MM58272;CC(C)CC(O)(C#N)C#N;DNBQLYNQJLALFF-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58273;MM58273;C=CC(O)(C#N)CC(C)O;LSRGNFNVQBWUBG-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58274;MM58274;CC(F)CC(O)(C#N)C#N;WQNWCINPYCREDA-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58275;MM58275;N#CC(O)(C#N)CC(F)F;IWEJSHNPOCBDSN-UHFFFAOYSA-N;146.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58276;MM58276;CC(O)CC(F)(C#N)C#N;NZSKTQPMTHANIZ-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58277;MM58277;C#CC#CC(N)CCF;FDTFCHAEUWUFAD-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58278;MM58278;CCC(=O)ON=CCN;GOPMVTAFFDQRDB-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58279;MM58279;C#CC(=O)ON=CCN;SXNIERDAIJGHCD-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58280;MM58280;C=CC(N)C(F)CNC;FNVIQADZTFMCSV-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58281;MM58281;CCN(C)C(=O)CNC;XKCNMLXHPBMLES-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58282;MM58282;CNC(=NO)NC(=O)CO;JTKGDBPXDJZXIJ-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58283;MM58283;CN(C)CC(O)(C#N)C#N;HLGOYNZIPVXIQP-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58284;MM58284;CCN(C=NC)CC#N;AAUTYIRATYXEDV-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58285;MM58285;C#CCC(=NC)NNC;VXDCVFJCFUAFDD-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58286;MM58286;C#CC(O)(C#N)CC(C)O;PSWJXTXINUNXGM-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58287;MM58287;C#CC(O)(C#N)CC(C)F;DWRYSHLYQAJJOF-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58288;MM58288;C#CC(O)(C#N)CC(F)F;PBPPQOWWJPATAK-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58289;MM58289;C#CC(O)C(=N)NN=C;LXHHSNLPGNRSRC-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58290;MM58290;CC=CNC(=O)N(C)NC;KNFBUOCJSKQQKJ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58291;MM58291;C=CC(O)CON=C;ITKQZHOBBDAUSY-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58292;MM58292;C=CCN(OC)C(C)=N;ACVAFHNOQIRWRD-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58293;MM58293;COC(C(=N)N)=C(F)F;ZNDBETCZSZEXFE-UHFFFAOYSA-N;136.1;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58294;MM58294;C#CC(C=C)(CC)NC;IWIJAYCHVVMQHY-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58295;MM58295;CN(C=N)C(C#N)CF;DGDWFXOVMTYSPO-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58296;MM58296;CCC=CC(CO)=NN;WSSVNXQQDALQFM-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58297;MM58297;C#CC(O)(C#C)CC(C)F;NFSOFYWYEPLMAZ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58298;MM58298;C#CC(OC)C(N)C=C;KOJDCVNBCPEBLL-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58299;MM58299;C#CCOC(=NN)NO;GONSJPVQQILLFE-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58300;MM58300;NCC=NOCCCF;TWTRFUJPYPLRRK-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58301;MM58301;C=CCCON=CCN;GKSDPXWCLOINEI-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58302;MM58302;COC=CN(O)C=NC=N;DIVSTEYFDJJBQI-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58303;MM58303;C=COCON=CCN;XMIKNNSYQJSHCG-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58304;MM58304;NCC=NOCC=CF;LTIPXQMTVGSILS-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58305;MM58305;CC=NOCC#CCN;PANNJJCBIOSVSZ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58306;MM58306;C=CC#CC(=NNC)NO;ASQHMRACDJLBKC-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58307;MM58307;CON=CON=CCN;UXQZZSWGXURSND-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58308;MM58308;C=NN=CON=CCN;RAZNCKJSPFKHRO-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58309;MM58309;COC(=O)C#CC(C)(C)N;XYGQRLFTYOKTPW-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58310;MM58310;CCON=C(C)N(C)O;BGXUPZLHRJUZJA-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58311;MM58311;CON=C(CN)C(C)(C)C;MLPRYKBNIRGJEA-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58312;MM58312;C=NOCC(=C)CN(C)C;GCCWTLSIRAOYKN-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58313;MM58313;COC(C)(C)C(N)CO;ZRIZJUIKNPTFSR-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58314;MM58314;CC(=O)OC(C)C#CCN;MSCRWVNUPVWYGR-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58315;MM58315;C=C(C)OC(C)(CO)OC;DJXMUVYCFKIPMQ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58316;MM58316;CC(=O)CC(C)(C#N)CO;MFOUHTYNZFHLGY-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58317;MM58317;COC(C)(C)ON=CCN;SCAJXBKKNUSLDH-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58318;MM58318;CN(C)C=NC(=N)CCF;YQJXDOYGSGGEEE-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58319;MM58319;CON=C(C)C#CC(C)N;IAQPZPXAYFKYMB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58320;MM58320;CCC(O)(C=O)CC(C)=O;HDSTXXBJRBJVHN-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58321;MM58321;CC(=O)CC(O)(C#N)CO;BYMJILGOJJDXCC-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58322;MM58322;CC=NNC(=N)OCCO;GGZQVPLGTQZCMN-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58323;MM58323;C=CC(O)(CC)CC(=O)O;IXGNGYULWQAFNT-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58324;MM58324;C=CC(F)(CO)CC(C)=O;WJEZHIFUVGXIGI-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58325;MM58325;CC(=O)CC(F)(C#N)CO;SFLFOQGNQJSRGI-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16565;MM16565;C=CC(F)(CO)CC(=O)O;RAKCGCJZHYGTFK-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58326;MM58326;COCC(CN(C)C)OC;ONMZGOMHWAWLGH-UHFFFAOYSA-N;147.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58327;MM58327;COC(C)(C=O)CC(C)=O;YPAQVEVJIVGRRY-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58328;MM58328;C=CC(C=CF)NC(C)C;WLBIQOXUWGXIQH-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58329;MM58329;CC(CCF)ON=CCN;UHDCHXYPKIVIRH-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58330;MM58330;COC(C)(C#N)CC(N)=O;LYGFHMFNWVDWCJ-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58331;MM58331;C=CC(C)(CO)NC(C)=O;DWDWTZSJLRMDMD-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58332;MM58332;CC(C#N)(CO)NC(N)=O;HAYHLCFGNIHGJE-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58333;MM58333;C=C(C)OC(C)(C#N)CO;GCKNDGJUKYGPKV-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58334;MM58334;C=COC(=O)ON=CCN;RZLQAXPSUBHFGJ-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58335;MM58335;CNN=CCCNC(C)=O;YONSVTMIJDGEAN-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58336;MM58336;NCC=NOC(=O)C=CF;PBGWEDPNXKFBIV-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58337;MM58337;C#CC(C)(CO)CC(C)=O;IMFWEUHXOMSYND-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58338;MM58338;C#CC(O)(CC)CC(=O)O;FXNSYKPHINPJRB-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58339;MM58339;CC#CC(=O)ON=CCN;SMUZMCGRNJJWHC-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58340;MM58340;C#CC(C)(CC(N)=O)OC;CPWINDVCKWESQB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58341;MM58341;CCOC(C)(C)C(N)CO;OGJOCPXKGAZEFJ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58342;MM58342;C#CC(C)(OC)OC(C)=O;PKTUILZUAKHJIP-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58343;MM58343;CNCC(=O)N(C)CC#N;UNXZBHKPYWGQFE-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58344;MM58344;CC(=O)CC(C)(C=O)C=O;MCYRUBZXCVMKFQ-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58345;MM58345;CC(=O)CC(C)(C#N)C#N;JUEZIAHLQHBNBN-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58346;MM58346;C=C(C)C(=O)ON=CCN;GKLYKDCCOSOOHW-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58347;MM58347;C=CCC#CC(=N)N(C)N;NVYMLGYYTWCUPZ-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58348;MM58348;C=NNC(C)C(N)C(=C)C;BXZIRJITWYIFGP-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58349;MM58349;C=CC(C)(C=O)CC(N)=O;NGLFIAYSAOAWKA-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58350;MM58350;CC(C#N)(C#N)CC(N)=O;IPCARTSGFXEZSX-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3,3-dicyanobutanoic Acid";MM03106;CC(C#N)(C#N)CC(=O)O;IBXDDBFXXZGGIF-UHFFFAOYSA-N;138.13;0.51;71302001;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58351;MM58351;C=C(C)CC(O)(C=O)C=O;ZVQFKLJUTRIVAY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58352;MM58352;C=C(C)CC(O)(C#N)C=O;HOHUIXFABGKOKQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58353;MM58353;C=C(C)CC(O)(C#N)C#N;IMWNZSFWCAYLCB-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58354;MM58354;C=CC(O)(C#N)CC(C)=O;GNQARQXFIYVHPI-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58355;MM58355;CC(=O)CC(O)(C#N)C#N;GLGAYJIIRQMAOG-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58356;MM58356;C=C(F)CC(O)(C#N)C#N;DJSRYQNPKCUQDR-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58357;MM58357;C=CC(F)(C=O)CC(C)=O;CQARSPYPYNWZEZ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58358;MM58358;C=CC(C)(COC=O)NC;FJTKACWSAZLKLD-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58359;MM58359;C#CC(=C)C(N)C(C)OC;NCDBGLMCXBETDK-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58360;MM58360;C=CC(F)(C#N)CC(N)=O;QMAQNASNANBDCL-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58361;MM58361;CC(CF)CON=CCN;OLKQWBXDNBXZJY-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58362;MM58362;CCC(F)CON=CCN;QUZSJGYBGWDFLI-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58363;MM58363;CC(=O)NC(C)(C#N)C#N;ONMXORSBRFNBDW-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58364;MM58364;COCCNCC(C)=CF;OORPOSDTXJKZDT-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58365;MM58365;CC(C#N)(C#N)NC(N)=O;VXDDRQWUUJNIHN-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58366;MM58366;CC(=O)OC(C)(C#N)C#N;OSNAAKXQIFQLNS-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58367;MM58367;CC=C(F)CON=CCN;MVIZOCKHXAPYHL-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58368;MM58368;C=NOC(CN)C(F)CC;BALVPDAEUKCXOB-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58369;MM58369;C#CC(=C)C(CN)ON=C;IODYIRYDXHJUOR-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58370;MM58370;CC(C#N)(C#N)OC(N)=O;XSPQDSOHEPVLPK-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58371;MM58371;C#CC(O)(C=C)CC(C)=O;AODPSDWLZWACSJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58372;MM58372;C#CC(O)(C#N)CC(C)=O;CKYQIFPCALIKTQ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58373;MM58373;C#CC(O)(C#N)CC(=C)F;LHUQPMUCNCJWMK-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58374;MM58374;C#CC(F)(C=O)CC(C)=O;AAFBSIHFHMDZMN-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58375;MM58375;C=C(CC)N(C=N)CC#N;AZNQNQWDMFDGDT-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58376;MM58376;C#CC(F)(C#N)CC(N)=O;JLLRZEOJHLUIAB-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16186;MM16186;C#CC(F)(C#N)CC(=O)O;LRGOPAJEURWUNM-UHFFFAOYSA-N;141.1;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58377;MM58377;C#CC=C(CN)OCOC;DLIYEXLYVUJECB-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58378;MM58378;C#CC(CF)=C(CN)OC;UOUYQXKEZFLOAK-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58379;MM58379;C#CC(C)(C#N)NC(C)=O;XDHWXMBKDMKDSG-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58380;MM58380;C#CC(C)(C=O)OC(C)=O;RDVJIDJOIQFSNM-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58381;MM58381;C#CC(C)(C#N)OC(C)=O;VEKORWUHNRWGHY-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58382;MM58382;CCC(CN)ON=CNC;VSPXYCJXOLNGBP-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58383;MM58383;CCC(CF)ON=CCN;PPWKHSUKEPXTFT-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58384;MM58384;C#CC(C)(C#N)OC(N)=O;CITHARMGIHQIGP-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58385;MM58385;CCC(OC)ON=CCN;FAQQNVJXRSDYKO-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58386;MM58386;C=CC(OC)ON=CCN;UQVFEEKGAOSXEN-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58387;MM58387;C#CC(O)(C#C)CC(C)=O;CAHXBXLMDBLGFH-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58388;MM58388;C#CC(O)(C#C)CC(N)=O;UKBPTKGWUVAYQL-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58389;MM58389;C#CC(O)(C#C)CC(=O)O;RCWHPAALRFRSFP-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15325;MM15325;C#CC(O)(C#C)CC(=C)F;RMLJWDWUTLQERK-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58390;MM58390;C#CC(C)(C#C)NC(N)=O;LSSNSFUFVLKYHI-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58391;MM58391;C#CC(C#C)ON=CCN;PFAHGLIMWHAKFI-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58392;MM58392;N=CN(C=N)C=CC=CF;QCCKJVOTPJYHSI-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58393;MM58393;C#CCOCON=CCN;RSHXXIZCBDZECY-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58394;MM58394;CC=NOCON=CCN;AAGPVPBVRTZICG-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58395;MM58395;COC=CCON=CCN;WASSEFFTXIKVOI-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58396;MM58396;C=NN=CCON=CCN;XZHGCRSAWINXIG-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58397;MM58397;CCNC(CO)COC;UTRUFQOZQCBJQT-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58398;MM58398;C#CC=CCON=CCN;VFDCVBWGFHOQHE-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58399;MM58399;C#CC=NOCC#CCN;MTAZAVZGVVWCPR-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58400;MM58400;NCC=NOC=NOC=O;IJKFESJCAYRHJI-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58401;MM58401;CC(F)C(F)CN;BXJVYUGZZIQHJR-UHFFFAOYSA-N;109.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58402;MM58402;CC(F)=CC(O)(C#N)CO;OKPULHHEJZPCIN-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58403;MM58403;COCC#CCN;OCIVDWICCJHNHC-UHFFFAOYSA-N;99.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58404;MM58404;C=NN(CC)CC(N)=O;BTORQSIKHBRMEN-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58405;MM58405;C=C(F)C(C)(F)CN;MWKVQFBELNSVMX-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58406;MM58406;C#CC(O)(C=C(C)F)CO;PTVPRALUXNYYQS-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58407;MM58407;CC(C)=CC(O)(C#N)C=O;AIVUJDKAGQRMFK-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58408;MM58408;CC(C)=CC(O)(C#N)C#N;WFJYDHFWGLDAGH-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58409;MM58409;C#CC(O)(C=O)C=C(C)C;GGSRWJNJQGWGLW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58410;MM58410;C=C(C)NC(=N)OC;PJPDTEPOJYTFFQ-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58411;MM58411;NCC(F)C(F)CF;IPWUZAMCXFCQHC-UHFFFAOYSA-N;127.11;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58412;MM58412;CCC=NNCCNC=O;ZSAFAXAMEJTMGC-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58413;MM58413;C#CC=C(CN)OC;DQXMVRRBJAOBNJ-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58414;MM58414;CC(C)(C=NN)CNC=O;ADWBHVMSKNOSQE-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58415;MM58415;CCOCC#CCN;WFHHXSHMFZPBTO-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58416;MM58416;CC(C)(O)C(C)(C#N)C#N;JQRRFTFPLDOIQP-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58417;MM58417;CC(C)(C)C(O)(C#N)C#N;GARCWHQJLSYXPC-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58418;MM58418;C=NNCC(=C)C(N)=O;RXRYBRHTJNOOBD-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58419;MM58419;C#CC(O)(C#N)C(C)(C)O;LWEVIJHKPOBBPY-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58420;MM58420;NCC#CCOC=O;ORYUJLHMZNREEU-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58421;MM58421;CC=NNCCC=O;JRSURICXRCTNPQ-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58422;MM58422;C=C(COC)CN(C)C;NQIJQVGBVVKDTK-UHFFFAOYSA-N;129.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58423;MM58423;C=NNC(C)C=O;SWOLZFCFDPDVOK-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58424;MM58424;C#CC(O)(C#C)C(C)(C)O;QITDZOLWOXVKJW-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58425;MM58425;C=NNCC(=O)N(C)N;BYASEAUCZKQCLT-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58426;MM58426;CNC=CC(C#N)=NNC;OGNSDQILIYYVJP-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58427;MM58427;C=CC(C)(N)CON=C;XINXEJUQQAWWDF-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58428;MM58428;N#CCC(=O)C(=O)C(=N)N;YDVUWHUZTJIDBU-UHFFFAOYSA-N;139.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58429;MM58429;C#CC(C)(N)C=COC;BSRVERKIFSGIBD-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58430;MM58430;CC=CC(N)CO;NDPPRLUZHXMLMB-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58431;MM58431;CC=NNCCC(C)=NO;BHQYZKCNLFOVSC-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58432;MM58432;C=NOCC(=C)NC=NO;UZVJJSMGRHMLPQ-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58433;MM58433;C#CCC(=C)NC=NO;YGQDGDFHGLCIPW-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58434;MM58434;CC(ONC=O)C(C)(C)O;ICYLLINMTDPHIY-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58435;MM58435;COC(=N)NC(C)CN;MZNCXHFHHIHLQY-UHFFFAOYSA-N;131.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58436;MM58436;CC(C)(O)C(=O)CCCF;KTLSAWRNVOOOLD-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58437;MM58437;C=CNC(=N)OCOC;DXYUDGANSWOSHJ-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58438;MM58438;CC(C)C(=NO)NN(C)C;YMEKASZCRDATFC-UHFFFAOYSA-N;145.21;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58439;MM58439;COCCC(=O)C(C)(C)O;QRLMPNMYAAWGOU-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58440;MM58440;C=NNC(=N)C(O)C#CC;WYMIXOUFYMWIFA-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58441;MM58441;CCOCC(=O)C(C)(C)O;XWOAAMWWUVYSAO-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58442;MM58442;CCCNNC(=O)CCF;BUJLUTVIEBEQTC-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58443;MM58443;CCC=CC(N)CO;KYDDTYYZISJPDD-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58444;MM58444;CCCNNC(=O)CCC;IDPXYCYXXIBAOR-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58445;MM58445;C#CC(C)(O)CCNN=C;DMPLNVXUCZMXFS-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58446;MM58446;CCC=CC(CO)=NNC;SSPPRODTYAGBHL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58447;MM58447;C=C(OCCO)C(C)(C)O;QNNXSMLSQHYDJF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58448;MM58448;C=CCCC(=O)C(C)(C)O;VYTREIXGHYAEES-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58449;MM58449;C=C(CNC=O)C(C)(C)O;DHXVDBFSJDZZBT-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58450;MM58450;C=CC(CO)=NNCCC;HGPXVDXVPYIGJV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58451;MM58451;C#CCC(=N)NCC#N;REEOEFFZPONIQU-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58452;MM58452;C=CCC=CC(N)CO;UBQGFFVUBSJZMT-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58453;MM58453;C=NNCCC(N)CF;BBUHODPOVMTCTK-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58454;MM58454;CC(C)(C)C(=O)NCC#N;VTRQBWNWLFDINX-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58455;MM58455;C#CC(=C)C(N)C=CF;JGSBFHORPIBXLU-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58456;MM58456;C#CCC=CC(N)CO;CIYFOERYABWFOY-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58457;MM58457;C=NOCC(C)O;AHKXHNGXHBTERJ-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58458;MM58458;C=CCN(C=NC)NC;JIYYQDVDIGCHDR-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58459;MM58459;CC(C)(O)C(=O)OCC#N;JCYCKDVJMDLAAD-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58460;MM58460;CC(F)CC=CC(N)CO;OIEIBNYTJJJWTP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58461;MM58461;C#CC=C(CNC)OC;DHSYLPDFHLYXAI-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58462;MM58462;CON=C(CN)C(C)C;QHYPMPKWFGYXGI-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58463;MM58463;COC(=N)NN=CCO;BTCMVCNXBCEQLN-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58464;MM58464;C=NNC(=N)OCC(N)=O;BJPCLISRXSVMMC-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58465;MM58465;C#CC(C#C)C#CCN;RZZKAXFVBXGAKC-UHFFFAOYSA-N;117.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58466;MM58466;C#CC(C)C=CC(N)CO;AQBXHBLFAXVURI-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58467;MM58467;CC=CCC(=O)C(C)(C)O;CJWGGKTVCSGKSX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58468;MM58468;CC(C)(F)C(=O)CC=NO;NBKHTLVIJRENJY-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58469;MM58469;NCC#CCOCCF;JULBSDDQBNMWSV-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58470;MM58470;C=CN(C=NC)C(N)=O;ZQPDQDBWSQDMAB-UHFFFAOYSA-N;127.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58471;MM58471;CN=CNC(=O)C(C)(C)F;DKHMCPGNJXTGKX-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58472;MM58472;CC=NNC(=O)C(C)(C)O;RZHVWHFYPYSHMA-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58473;MM58473;C#CCOCC#CCN;CYECYBOBYNZYEE-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58474;MM58474;NC(C=CCCCF)CO;RCSLDXGLKVHORD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58475;MM58475;C=CN(NC(C)C)C(N)=O;FREWBVIVMJFLOF-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58476;MM58476;CC(N)(C#CCN)C(F)F;DMFRBRIXLNDEKS-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58477;MM58477;C#CC(CO)C(N)C(=C)C;RSZNWXCAUWGPCF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58478;MM58478;C=NN=CC(O)C(C)(C)O;OZWFONFZTDEIFY-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58479;MM58479;C#CC(C)(N)C=COC=O;OFYGUBNMOMTMQK-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58480;MM58480;CNC=CC(=O)C(C)(C)O;CHKWQOCDAFNWDM-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58481;MM58481;CNN=CC(=O)C(C)(C)O;FHMLTLWDTPZNGP-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58482;MM58482;CC=C(NC=N)OC(C)=O;AHOJBZHNLJVYIN-UHFFFAOYSA-N;142.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58483;MM58483;C=CNC(=N)OCOCC;BWRVSVQJULOGNI-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58484;MM58484;CCNN=CCCNC=O;LYDCXVBPFKSHJO-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58485;MM58485;CC(C)(F)C(O)C#CCO;PUSHOBDTJUIBKR-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58486;MM58486;C=NNCC(=NNC)OC;GQEWZYWTNRRKHB-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58487;MM58487;CC=NN(C)CC(C)=O;HKYISCXKNVXMND-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58488;MM58488;C=COCCN(N)C=NC;KSTBEQLXFBVYJY-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58489;MM58489;C#CC#CC(O)C(C)(C)O;JYOLOHWTJVSTCI-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58490;MM58490;CC(C)(O)C(=O)C#CCO;UCKYSNNYQSFBFK-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58491;MM58491;CC(C)(F)C(=O)C#CCO;KRQQNTINHSLWCV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58492;MM58492;CC(F)(F)C(=O)C#CCO;BXZNNKYOWXHVTB-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58493;MM58493;CN(CC#N)N=CNC=N;XIHPFZWOBJRXOF-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58494;MM58494;CC#CC(N)C(N)C=CF;ZDMDYQIQOUDLLJ-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58495;MM58495;C=C(C)C(C)=C(CN)CO;XRGPCCRBCSIMPF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58496;MM58496;CN=C(C)NC(C#N)CF;RNEYTGYFMJGASL-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58497;MM58497;C=CC#CC(N)C(N)C=C;HHDHEOYAOOOEQC-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58498;MM58498;C=CC(=NN)C(=N)NN=C;NCUCUCGTWMYMOM-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58499;MM58499;C=NOCC(C)C(C)=O;DASDIGSJPHJIPD-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58500;MM58500;CC(C)(O)C(F)=CNC=O;JYEUHKYQGCYCDL-UHFFFAOYSA-N;147.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58501;MM58501;CNC(=NOC)C(C)=NN;NNUIVQCYXZMFMV-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58502;MM58502;C=NOCCC(=O)CC;AKOMGUFAHWYXJD-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58503;MM58503;NN=CC(F)=C(N)CF;TTXITARXECKATL-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58504;MM58504;CC(O)C=C(CN)C(C)F;WGBWIHBQVVQPSD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58505;MM58505;COC(C)OCC#CCN;JMVJGBRRUFARMY-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01701;MM01701;CC#CC=C(F)C(C)(C)O;VJTWLDJHQSQIRA-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58506;MM58506;CCC(F)C(=CCO)CN;NGTLRCQAIVNUPN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58507;MM58507;C=CC(=O)OCC#CCN;SGRHQKOQQLVGKW-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58508;MM58508;C#CC(F)CNC(=N)C#N;MUQUQCXHSKXXNN-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58509;MM58509;C#CC(=O)OCC#CCN;GAUSAFHDDDGOPT-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58510;MM58510;CNC(=N)C=NN=CCN;YGADUSNYBUPVHR-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58511;MM58511;CON=C(CN)C(C)CF;RESUSLGAXPVCPY-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58512;MM58512;C=C(C#N)CN(C)C=NO;XPGPZIYDFMNSJJ-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58513;MM58513;COC(CCO)C(C)(C)O;UFLIZEFNYPBSQD-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58514;MM58514;C#CC(C(N)C=C)N(C)C;LHWSLDOEYMWDPZ-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58515;MM58515;C=NN(C)C(=N)C(C)C#N;HHYMPHJOBUHIIJ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58516;MM58516;C#CC(=N)N(C=C)C(C)=N;YIQVXBZTJZMXRJ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58517;MM58517;CC(=CC=O)NC(C)=NO;PHJYWAREIBMMBY-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58518;MM58518;CC(C)(C)C(CO)NC=O;YOBGFLOEUYEUEW-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58519;MM58519;CNC(=O)CN=CN;JLVGIQZJBPNWPH-UHFFFAOYSA-N;115.14;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58520;MM58520;C=CN(C=NC)CC=O;GGDVWGGDDOCZFD-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58521;MM58521;CC(F)=C(CN)CCO;KDHCFJUMFOYRBC-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58522;MM58522;CN=C(C=COC)N(C)N;IFCKGBLKYTYLFO-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58523;MM58523;C#CC(C#CCN)N(C)C;SEFNHERGKGMZFJ-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58524;MM58524;CC(C)C(CN)=NOC=O;XDWVDHXQZDIQAO-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58525;MM58525;CCCN(C=NO)CCO;HCCJFGMSUPWRDE-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58526;MM58526;C=CC(NC)C(CF)NC;YQDSFIQCZADYIM-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58527;MM58527;COCC(C=O)C(C)(C)O;WAVPXVSTYBTRPC-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58528;MM58528;CC(C)(O)C(C#N)CC#N;GPUCGXZCYYGEOX-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58529;MM58529;C#CC=NOC(CN)CF;SEMRNHWBTLXJFR-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58530;MM58530;CC(C)(C)C(C#N)NC=O;DTWUHGUIBVUVBI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58531;MM58531;CCC(CO)N(C)C=NO;HJHIUKQYQPCQPF-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58532;MM58532;COCCOCC#CCN;NIABKGSHMKFLRW-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58533;MM58533;C=COCOCC#CCN;SIDBENLXDSTUEP-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58534;MM58534;CCN(C)C(=O)CC=NN;YRFNGCDDJRVWAN-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58535;MM58535;CCC(F)=C(CN)CCO;XXIJWRSQOMDHSU-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58536;MM58536;C=NOCOCC#CCN;VRYOQYMBAZDMDM-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58537;MM58537;COC=COCC#CCN;UGJSEMXYHRFAHU-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58538;MM58538;NCC(F)CF;OLGCLBPVJWYHMU-UHFFFAOYSA-N;95.09;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58539;MM58539;CC(C)NC(=O)CC=NN;ZXAQQYPIUZCOJN-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58540;MM58540;CON(C)C=N;JNANEVKEDABQQT-UHFFFAOYSA-N;88.11;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58541;MM58541;C#CCCNCCNC=O;NOPZSZJEMIOTAK-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58542;MM58542;C#CCC(N)CF;LGNMIIIKUUFTBJ-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58543;MM58543;CN(C=N)N=C(NN)NN;LOQJVABWDANEEB-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58544;MM58544;CNNC(=NNC=N)NN;NJJFCHKIAKRABJ-UHFFFAOYSA-N;145.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58545;MM58545;CCCNC(=O)CC=NN;WHZGSSLSZBZFEW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58546;MM58546;COCC(C)(O)CC=NN;WGABAROINBHVAX-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58547;MM58547;CC#CC(CO)C(C)(C)O;WCDPNOXRZBCIEA-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58548;MM58548;COC(C)C(F)CN;RMFYHPRGZDZJRM-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58549;MM58549;COCC(=NO)C(C)(C)O;UOUKJTLLKSXRMU-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58550;MM58550;CCOCC(O)CC=NN;NQOKPOLSBUWSPY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58551;MM58551;CC(C)=CC(CO)=NN;BZNMRFGPCBHPNZ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58552;MM58552;C=CC(CO)=NNC(C)C;HQMHCYZGSRXBPY-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58553;MM58553;C#CC(C)OC(=NN)NO;AGZAVIRWIGPNIS-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58554;MM58554;CC(CCN(C)C)NC=O;MDRGRGXNGWMSMM-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58555;MM58555;CCOC(CO)CC=NN;ORAPSHPERCUWAP-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58556;MM58556;CC(C)C(C)NCC(N)=O;DSFDHRHEXRPZHC-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58557;MM58557;CC(C)(C)C(=NO)NC=O;PZIDNSXEANMGFW-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58558;MM58558;C=CC(=C)C(CC=O)NC;XSSJYIRYEIMSOF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58559;MM58559;CC(=NC(=N)C#N)N(C)O;XYFSCTOPJGIQHX-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58560;MM58560;CC(C)CNN=CCO;XNQHKLSISQIJQX-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58561;MM58561;C=COC(=NO)C(C)(C)O;HWVXBFQEPPOUQP-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58562;MM58562;NN=CCC(O)CCCO;JBUMKEOYFGICTP-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58563;MM58563;C=NOC(=NO)C(C)(C)O;GKHAPKNROARMQN-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58564;MM58564;CCC(CN)=NOC;JMVRYUIBYJFKIZ-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58565;MM58565;CC(C)(O)C(=CCF)CO;CYAVLJBEEUFYEG-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58566;MM58566;C=NOCC(=C)CO;SDYXLAHVWKEOHX-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58567;MM58567;CC(CC=NN)OCCO;FJOMRTRQXTYWTO-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58568;MM58568;COC=C(CO)C(C)(C)O;NHSYTBCZLITFSV-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58569;MM58569;C=C(F)C=C(CN)OC;ZKSXJLWRPJIEHB-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58570;MM58570;C=NOCC=CCO;KLCBZCLRPKXUHS-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58571;MM58571;COC(CC=NN)CCO;VXWHSESMUJPUCR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58572;MM58572;C#CCC(=N)NC=CF;MAZBXJSCKXGSHD-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58573;MM58573;C=C(C)C=NNCC=O;XTVOGNRCMVRFAY-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58574;MM58574;C=C(F)C(N)C#CCN;SDHUYOIBPZZILI-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58575;MM58575;CC=C(C=NN)CC(N)=O;UTHOCIBMOZYQBL-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58576;MM58576;C=NOC(C)C(F)CN;DGRXUGMJOAHJNS-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58577;MM58577;CON=C(OC)C(C)(C)O;OBBHCKMVCFWHSF-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58578;MM58578;CC=NN(C)C(C)C=O;KIBAQPHIMCGBDQ-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58579;MM58579;C=NN=C(CO)C(C)(C)O;ZABPUQBIQYFIQT-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58580;MM58580;C#CC=C(CO)C(C)(C)O;JGJXWWLNFITAHD-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58581;MM58581;CC(C)(O)C(C#N)=CCO;KTVVLHUPTYKRAM-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58582;MM58582;COC=C(C#N)C(C)(C)O;BOOAZGHXFZZETR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58583;MM58583;CNN=C(C=O)C(C)(C)O;FAIMJUFFNXACGU-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58584;MM58584;CNN=C(C#N)C(C)(C)O;RZOGUENDWVZREG-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58585;MM58585;C#CC(=C)C(C#N)C(=N)N;UOEAGISUTUHRHM-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58586;MM58586;CON=C(C=O)C(C)(C)O;IRNHBNMWFQWWEK-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58587;MM58587;CON=C(C#N)C(C)(C)O;WSTOPYFSGQHVRP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58588;MM58588;CC(C)(O)C(C#N)=CC#N;FWZMJWJQWWXQHF-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58589;MM58589;C#CC(=CCO)C(C)(C)O;AYMCZCOBZBLAKZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58590;MM58590;C=CCN(C)C(=N)OC;IMCIDKGERJHAHT-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58591;MM58591;CCC(C#N)(NC)C(C)=O;IPKSBFJTUNLHKI-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58592;MM58592;CCCC(CN)=NOC;CIVQWJWCUXTPHX-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58593;MM58593;COC(=NN=CN)C(C)=O;IBXBFGRENDJVFJ-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58594;MM58594;CNCC(C=O)=CC=O;VSLUQPXWQLPBEO-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58595;MM58595;C=CC(C(=C)C)N(C)C;STCNWDGISGNADH-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58596;MM58596;CC=C(C=O)N(C)C=N;QLSZOWKGCPNMPF-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58597;MM58597;CCON=C(CC)CN;COQJPCQPTFHSMM-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58598;MM58598;CCNC(=N)OCC(C)=O;UDDDIAKDAPODSG-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58599;MM58599;C=CNC(CC)=NNCC;GCICUHTUQGIDFY-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58600;MM58600;C=NNC=NNC(C)C;KWKISSYMVVEDLN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58601;MM58601;C=NN=CC(=N)NC(C)=N;VSGVBKCVBIQORU-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58602;MM58602;C=C(COC)C(=NN)NC;KABZNCQQEGJPMV-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58603;MM58603;C#CCC(C#N)OC(=N)N;FFUDEUFEZPCQJI-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58604;MM58604;CC(=NC=NN)N(C)C;IWBMGOIIROPIIC-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58605;MM58605;C=NNC=NNCCC;PDTJXPKUEPDJGN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58606;MM58606;CC(=O)C#CC#CC(=N)N;XDLFTVAUBQCWSH-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58607;MM58607;CC(C)(O)COCCC=O;GNEHBSTZPLFRCC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58608;MM58608;C=COC(=O)OC(=C)CN;LDWGBDDNEHGGJO-UHFFFAOYSA-N;143.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58609;MM58609;C=NOC(=NN)NCCC;XMQSUNPZZXFRDM-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58610;MM58610;C#CC(N)CC(C)=NOC;XBMJXTCXZYBGQC-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58611;MM58611;CON=C(CN)CC(C)F;VAZJRQVVZRLYKS-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58612;MM58612;CCOC(=NN)NOC;PIBAVLSMHJJROP-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58613;MM58613;CCNC(C)C(C=O)C=O;JFQAQRBGPNBAGL-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58614;MM58614;CNC(C)C(C=O)C=O;FNKXXWOTFQTFAJ-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58615;MM58615;CCCOC(=NN)NOC;AASWPGLRRGQKCU-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58616;MM58616;C#CC(=O)ONC=NN;LUGCCDBEYFMVDC-UHFFFAOYSA-N;127.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58617;MM58617;CCN=C(NN)NC(N)=O;RZYGRXAVBFNOSB-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58618;MM58618;CC=CCNC(=N)NC=O;ZGUIKRXCWPGXGM-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58619;MM58619;CC(C=NOC=NN)=NN;NCMOUFASBNCFED-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58620;MM58620;C#CC(O)C(F)=C(C)CN;ZCPBSUCWWKIZMW-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58621;MM58621;C=CC(=NO)C(=C)CNC;RINSCSVMZQRZIH-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58622;MM58622;C#CC(O)C(=NC)N(C)C;YGLOLNZGOPYFMP-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58623;MM58623;CCC(=NO)NCCCN;IAKRAXKFGJPSAK-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58624;MM58624;CNCC(C)ON=CC=O;MNOBMQWKLBLVOB-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58625;MM58625;C#CC(O)C(=CCN)OC;DJUNWVREHPQTED-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58626;MM58626;C#CC#CC(C)(O)CNC;OCVKWKHOUVBSKC-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58627;MM58627;CC#CC(=O)N(C)C(=N)N;ULGDCSBAHYRRJK-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58628;MM58628;COC(=N)NN=CCF;LCJMGUDBRFHXCE-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58629;MM58629;COC(=N)NN=CC(C)F;JFOQQQXGGCOBGE-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58630;MM58630;CNCC(C=NN)=C(C)F;ZLNUEGHNXLMBMN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58631;MM58631;C#CC(C)(O)C(=C)CNC;FRAFKBVEKZWOMP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58632;MM58632;CC(C)(O)CNC=CC=O;DWBDTEHOSKCWQU-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58633;MM58633;C=C(F)C(O)C(=C)CN;UYIVHRHTFWDBFL-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58634;MM58634;C#CC(O)C(=CC)CNC;GRIBKNPEXJGVML-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58635;MM58635;CC(C)(O)CNN=CC#N;DYHJNLHUDKNTEO-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58636;MM58636;C#CCC#CC(O)CNC;CKKCJKHHCVJSSV-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58637;MM58637;CC(C)(O)CON=CC#N;IHKFEYHLYWMWKI-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58638;MM58638;CNC(C=NN)=NOC;HOPPEKWNGZDURH-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58639;MM58639;CC(C)(C)NN=CNC=O;XZMITBGUVNLWOK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58640;MM58640;C=CC(=C)CN(C=N)C=N;XMBXEGMAKYGYIX-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58641;MM58641;COC(C=O)=NN=CN;ACHBOHIODXRJDY-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58642;MM58642;CCNCC(F)COC=O;KZASKITTZZVDNH-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58643;MM58643;CCOC(C=O)=NN=CN;ZPZNBTCDCRSCMJ-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58644;MM58644;CC(C)(C)NC=NC=NO;CYRCKKOXTCVMDH-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58645;MM58645;CC(C)(C)NN=CC=NO;RLWJZGSOAMTNLN-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58646;MM58646;C=NN=CC(O)C(=C)CN;ZJIFJKIVQREEFI-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58647;MM58647;C#CC#CC(N)C#CCN;VJGIICIJAMJDRV-UHFFFAOYSA-N;132.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58648;MM58648;C=C(C=NNC)C(F)CN;BDSONZTUKLIPSD-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58649;MM58649;C=NNC(=CNN)N=NC;ORQVKALCGLHICT-UHFFFAOYSA-N;142.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58650;MM58650;CN(C=N)C(=O)C=CN;OKKDEFQWWKAAJQ-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58651;MM58651;C#CC(N)C(=C)C#CCN;LPJRJTHRVCHGFB-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58652;MM58652;CCON=CNCC#N;DYLYTXCKHNSIFH-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58653;MM58653;C=C(C=NO)N(O)C=NN;NHPFPJCWZUMJJV-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58654;MM58654;CC(C)(O)C=COC=NO;UALHVHLKHLQYOY-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58655;MM58655;CNCC=C(F)C(=O)C=O;FPYYCTPVOCRMCO-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58656;MM58656;CCONC(=O)NC=N;ASYNRHKGFWANKN-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58657;MM58657;C#CC(=C)C(O)C(=C)CN;BWQAJIXQDCMPKE-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58658;MM58658;CON=C(CN)CCCF;FYJLHSGNBZZKAH-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58659;MM58659;CCCC(CN)=NOC=O;SRCKTJVNTRRYHU-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58660;MM58660;CC(C)(O)C#CCNC=O;WWAFAPUVJVYCDM-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58661;MM58661;CNN=CCC(C)C=NO;SEZWXBXBBTVXJR-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58662;MM58662;N=CNC=NC(C=O)=CF;KCYQZTLHZRYHRI-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58663;MM58663;CC(C)(O)C#CCC=NO;KCCBUEPSIYPLSM-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58664;MM58664;C=C(OC)N(O)C=NNC;WZSAZURWUBSYPS-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58665;MM58665;CCC(CN)=NOCCF;ZXRSRDFQCLJAPC-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58666;MM58666;C#CC(=NC=N)N(O)C=C;JUDBKEKTUCEMHO-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58667;MM58667;CC(C)(O)C#CC#CCO;JPXUXJIQJWTVCT-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58668;MM58668;C=CC(OC)C(=N)NC=N;UPGYPUYBGPJERV-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58669;MM58669;C=NNC(CO)=NCCF;VTTQXWAVAXGWRC-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58670;MM58670;CNCCF;PDSWHCYJSJFEKD-UHFFFAOYSA-N;77.1;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58671;MM58671;C#CC(C)C(O)C(N)C=C;XEYJOMYAZBJFQF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58672;MM58672;C=CC(C)(N)CF;IPZLCZRCFFNPLB-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58673;MM58673;C=COC(=C)CN;PNPRXYHPLNZZGU-UHFFFAOYSA-N;99.13;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58674;MM58674;CON=C(C)CN;RODRFHLRZKUWCO-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58675;MM58675;CN=C(NC)OC;DGSHKKIETFTSAF-UHFFFAOYSA-N;102.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58676;MM58676;C#CC=CCN(C)C;BQLYBCHYACTZJD-UHFFFAOYSA-N;109.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58677;MM58677;CC(CO)C(C)(O)CCF;CZYKEJALMSTJIO-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58678;MM58678;CC(CF)C(C)(O)CCO;WQCJGLNHCXLPKU-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58679;MM58679;CC(=CF)C(F)CN;PKKISTWDNMMRSQ-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58680;MM58680;CCOCC(F)CN;CQJJIMXOLBCEFA-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58681;MM58681;C=COCC(F)CN;JKBFGMKZLOUFJT-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58682;MM58682;C=C(CN)OC=CF;MLORCLQIVVNHOF-UHFFFAOYSA-N;117.12;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58683;MM58683;CNC(C)C=CC#N;IDXNPMBXYWNWDM-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58684;MM58684;C=CC(=NNCC)C(C)O;PXFABWYDPPHNRA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58685;MM58685;CCNN=C(NO)OCC;SAMSPRXVOJVPFP-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58686;MM58686;C=C(CC=O)N(O)C(C)=N;WSZOPJSWUQRRQV-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58687;MM58687;CCC(O)C(C)(O)COC;OYPSKHWYAOXSKE-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58688;MM58688;CCON=C(C)CN;LBIIOFYTPHPBIN-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58689;MM58689;C=CN(O)C=NC(=N)OC;SLRBYCDYPKCLQN-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58690;MM58690;CC(CN)=NOC=O;WMDYXAAFFZCTOE-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58691;MM58691;COC(=CCF)CN;KHXYIFILYQHCTE-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58692;MM58692;C#CC=CC(O)C(=C)CN;KSIFAGFNONPUKM-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58693;MM58693;COC(CN)=C(C)C;OIYJDRCUXGEGDP-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58694;MM58694;C=COC(=CCN)C(C)O;BRAFQRMLTIJBRO-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58695;MM58695;C=C(CN)C(O)C=CCF;NTAGHVDABLVKCS-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58696;MM58696;CCOC(C)(C)C(O)CO;QZZGWNJQUZUIEP-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58697;MM58697;CC(C)(CC=O)C(O)CO;LCIRGNNZUACQSG-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58698;MM58698;CC(C)(CC#N)C(O)CO;HCZUCJSRHSXAIB-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58699;MM58699;CC(N)C(F)CN(C)C;HYZILIFBXWYKFQ-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58700;MM58700;CC(=NOCCF)N(C)O;QEIQNHFQAWPQJI-UHFFFAOYSA-N;150.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58701;MM58701;CC(CO)C(C)(O)CC#N;HVZUYGDHAOWWEP-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58702;MM58702;C=C(CO)NC(=N)C#N;KGEPHXMASHGVAP-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58703;MM58703;CC(O)(CC#N)C(O)CO;RKYPEOWNPVMAES-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58704;MM58704;C=CC(O)C(=C)CN;AHXJPXVSVXKRJA-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58705;MM58705;CC(O)(CC#N)C(F)CO;BGOFYUARVHHWTD-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58706;MM58706;C=C(CN)OC(C)=CF;ZMFLOHSXHAIEKU-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58707;MM58707;CC=NN(C)CCNC=O;HAEPTKVBHNQPQK-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58708;MM58708;CC(CO)C(C)(C)NC=O;KPRINRQOTTVMQL-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58709;MM58709;COCC=CN(O)C(C)=N;WEULDQCQARDZML-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58710;MM58710;CCC(=CC=NN)C(N)=O;SSGHTPMZZVXOEG-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58711;MM58711;CC(CN)=NOC(C)C;TVHKWLSJFFOGKA-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58712;MM58712;CC=NNCC(C)=O;YTLYSJITSZYLPC-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58713;MM58713;C=C(COC)N=CNN;UQDRGZLRLFSWEJ-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58714;MM58714;C=CCC(C)(O)C(=C)CN;AQNGTKJLUJMEFM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58715;MM58715;CN(C)C(=N)C#CC#N;OQLANFZKKNFLPP-UHFFFAOYSA-N;121.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58716;MM58716;C#CC(C=NOC)=NNC;DQSHNMMOKNLJGZ-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58717;MM58717;COC(=CCN)CO;MMUMKTHRVYWXSV-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58718;MM58718;CC(C)OC(=CCN)CO;BSNLSHIJAMQOSK-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58719;MM58719;CN=C(C#N)NCCC#N;IHEIQACRUWZBKB-UHFFFAOYSA-N;136.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58720;MM58720;C#CCC(C)(O)C(F)CO;UGJQLNYDJWKQLW-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58721;MM58721;CC(C)(CCO)C(O)C#N;PFPJGORUFWHNQB-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58722;MM58722;C=CCOCC(F)CN;RQQNLFDZGUIIDT-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58723;MM58723;CC=NOCC(F)CN;JLPORQBFHUGKQF-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58724;MM58724;CCCC(C)(O)C(O)C=O;KWKHPPBZMVGIMY-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58725;MM58725;C#CC(N)CC=NNC;PAYVVEIJQUWSLP-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58726;MM58726;C=C(CN)OC=CCF;BKXHUWNHABHCSE-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58727;MM58727;C=C(CN)OC=COC;DLTYZBXAZGJYTQ-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58728;MM58728;CNC(C)C=C(CO)OC;VHUCEAFATMTBMR-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58729;MM58729;C=CC(=O)CN(C)N=CC;DFHKJYNKVKRAMW-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58730;MM58730;N=CN(N)C=COC=O;AXKVCMKTRXBFKJ-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58731;MM58731;CN=NC(NN)=C(C)NN;OOBREFGYNMAMAN-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58732;MM58732;COCC(C)(C)C(O)C=O;FVMIEZLUUKFVIG-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58733;MM58733;COCC(C)(C)C(O)C#N;QZPPRPVCUQYSSR-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58734;MM58734;COCC(C)(O)C(O)C#N;JBRPCRDTQRUROD-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58735;MM58735;C=NNCCC=NO;AUNSUKFRUWOGML-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58736;MM58736;CCOC(C)(C)C(O)C#N;SZRXGYXTOUONSW-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58737;MM58737;CNN=CC(=O)NC(C)=N;XPFQVPBEXZRCSW-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58738;MM58738;CCCON=C(C)CN;SEPPWABAPKYNHY-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58739;MM58739;C=CCON=C(C)CN;JPYDQIKEISFLPN-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58740;MM58740;CCC(=O)NNC(C)C;DWIWWPFVTNXPRP-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58741;MM58741;CCCC(=O)NNC(C)C;SMEQMLCHPYWCAU-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58742;MM58742;C=CC(O)C(C)(O)CC#N;ZEJAPZLVKLSWGY-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58743;MM58743;CC(O)(CC#N)C(O)C#N;FKBXCGAJTQPTKY-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58744;MM58744;CC(O)(CC#N)C(F)C=O;AMKHDVFOSVZDBF-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58745;MM58745;CC(F)(CC#N)C(O)C=O;ZCGAYYVLTSJEGS-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58746;MM58746;CC(F)(CC#N)C(O)C#N;CZFNBVFCWWCFIK-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58747;MM58747;C#CCON=C(C)CN;MLLBEJMGSWMBMW-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58748;MM58748;CNN(C)C(=O)NCC#N;IGMZBAQSLNSQSI-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58749;MM58749;C=CC(O)C=C(CN)CF;PXXGDRTUXHCKCA-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58750;MM58750;C=COC(C)(C)C(O)C#N;MLUKYAVPPCNBBE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58751;MM58751;C=C(CN)C(C)(C)O;SSULMPCAMGPHEN-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58752;MM58752;CCOCC(C)(CO)NC;RKWAGHUMVZDXSI-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58753;MM58753;C#CCC(C)(O)C(O)C#N;GPTOSVKXVQDBQL-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58754;MM58754;CNC(CO)CO;YMFOWIJFFPALOW-UHFFFAOYSA-N;105.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58755;MM58755;C#CC(O)C(C)(C)CCO;SKWKWPIOIBIKPF-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58756;MM58756;C#CC(F)C(C)(O)CCO;RTDXDYOMXWWDSL-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58757;MM58757;COC=C(C)C(F)CN;DWJMGJFUPABUOQ-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58758;MM58758;C=CC(=N)N=C(NC)NO;BRKKELDXKHSBPC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58759;MM58759;CN(O)C(=NN)C(=N)N;HTXUMVXPQKJMPH-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58760;MM58760;C=C(C=NN=CCO)CN;NSGBTGGWDNWQNG-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58761;MM58761;CC(O)C(=CCCF)CN;ALJRGYZOSCLRGE-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58762;MM58762;C=NOC(CN)C(=C)C;VKQJKYNAODHEAP-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58763;MM58763;C=CC(N)C(C)(C)CO;AXMUBDKNUYIEDV-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58764;MM58764;C#CC(F)C(C)(O)COC;LGNMHEMJLPALHS-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58765;MM58765;CC=C(CN)OCOC;UDOPAVJEMMMIPU-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58766;MM58766;N=C(N)C=NN=CC(=N)N;JBGIPNYMIKAJFX-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58767;MM58767;C=CC(=NNC)C(C)(C)O;BBOQCRDWVGNKJT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58768;MM58768;C#CC(O)C(C)(O)CC=C;GJALTNSDRABNKO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58769;MM58769;C#CC(O)C(C)(O)CC#N;YWCUAEJHEAJZJA-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58770;MM58770;C#CC(F)C(C)(O)CC#N;OTDPYGBRBZTNFE-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58771;MM58771;C#CC(O)C(C)(F)CC#N;WPCAZBYURQGBCI-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58772;MM58772;C#CC(O)C(F)(F)CC#N;IVKBMWLEZBGCQA-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58773;MM58773;C#CC(C)C(=C)C(N)CO;OMCJZMBXKPWVGB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58774;MM58774;COCOC(=N)NC(C)C;LKXPPWFUQHXOEW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58775;MM58775;CC(=O)OC=CN(N)C=N;JFCDECASBJQFPA-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58776;MM58776;C#CC(C)=C(C)C(N)CO;IZRHWPOJBZMIED-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58777;MM58777;CC(=CCC=NN)NC=O;NYQKAXFSJAESEK-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58778;MM58778;C#CCC(C)(O)C(O)C#C;VERDWRKRGGXISZ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58779;MM58779;C=C(F)CON=C(C)CN;LEPQKMKOAIMXIL-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58780;MM58780;CCC(=O)C(C)(O)CCO;ZUSQXRCONCXEQT-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58781;MM58781;CCCC(C)(O)C(=O)CO;KLRXGDULCYIAOM-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58782;MM58782;C=CC(N)CO;RKBAYXYCMQLBCZ-UHFFFAOYSA-N;87.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58783;MM58783;C=C(C)CNCCOC=O;JSHGILFVQIFNQT-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58784;MM58784;CCN=CNOCC(C)N;JDEANOIUCVXCQE-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58785;MM58785;C=CN(O)C(C)=NOCC;YDCHWWCOIFYXDL-UHFFFAOYSA-N;144.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58786;MM58786;C=NOC(C)CO;DDYVNXKBTQLZDO-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58787;MM58787;COCC(C)(C)C(=O)CO;VPRLYRXSORXCRK-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58788;MM58788;CC=NNCC(CO)OC;JWURBCFFVKOPCO-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58789;MM58789;C=CCON=C(C)N(C)O;DGYIRYULHXDQPO-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58790;MM58790;C=NN=CC=C(CN)CO;TVGQJUFPUZWIMH-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58791;MM58791;C=CCNCC(C)OC=O;CCXMAAGKAPMZJX-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58792;MM58792;CC(=CF)C=C(CN)CO;UDLREKFJKZHMFN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58793;MM58793;COC=CN=C(C)NC=N;GYPJDRGWQCYEFQ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58794;MM58794;C#CCN(N)C(=N)CC=C;QBAJNWVIEDNUJN-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58795;MM58795;C#CC(C)C#CC(=N)NN;ZVKAUCDXHQQCIO-UHFFFAOYSA-N;135.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58796;MM58796;CC(CN)=NOC(C)CF;QWLKNUFIINXLCT-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58797;MM58797;C=C(OC)C(C)(O)CCO;NNLXWSSOVIWIAK-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58798;MM58798;CCC(=O)ON=C(C)CN;MLAISRVVRXIMPN-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58799;MM58799;C#CC(=O)ON=C(C)CN;BPGHKFJNASLMMC-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58800;MM58800;C=CC(C=C(C)C=O)NC;CYVYYSWEHZIZFY-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58801;MM58801;C=C(OC)C(C)(O)COC;AJPODVSEDWSZPT-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58802;MM58802;C=CC=CC=C(CN)CO;GXCKGAADQSOHFL-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58803;MM58803;C=NOCC(=C)C(F)CN;XTSRAAOFKVLZQA-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58804;MM58804;C=C(OC)C(=NOC)NO;MFSDNGWOXAOLFG-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58805;MM58805;CC=NNCCOCCO;OMGKSNXFGAKFAF-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58806;MM58806;CCOC(C)(C)C(=O)CO;SSJIKYZMYMQXID-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58807;MM58807;C=CC=NOCC(F)CN;HHCJCJMWDDAYFL-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58808;MM58808;C#CC(N)CC=NNCC;PSTOVOGABDOFHI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58809;MM58809;CC(C)(CC#N)C(=O)CO;KVDPXZPQZSQZCF-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58810;MM58810;C=C(CC)C(C)(O)CC=O;SILHVUWTGRGHHX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58811;MM58811;C#CC(N=CNO)=NOC;LJUBEACGQNMKLW-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58812;MM58812;C=CCC(C)(O)C(=O)CC;UHOWOPNWXHJISX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58813;MM58813;C=CCC(C)(O)C(=O)CO;BAQMWJDRQOYLKV-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58814;MM58814;CC(O)(CC=O)C(=O)CO;UADDRFRNKIHCCK-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58815;MM58815;CC(O)(CC#N)C(=O)CF;RHQLRKXFKVRZDF-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58816;MM58816;C=CCC(C)(F)C(=O)CO;ZSNWLIKLWXTMCR-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58817;MM58817;CNC(=O)N(C)NC;NEDAXSVASAYYHF-UHFFFAOYSA-N;117.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58818;MM58818;CNN(C)C(N)=O;VGKNNUKFRSGYJV-UHFFFAOYSA-N;103.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58819;MM58819;CCCCON=C(C)CN;XMNBMLGNWGAUDM-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58820;MM58820;C#CC=CC=C(CN)CO;SVYPSCSCKFTJCF-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58821;MM58821;CC=NNCCNC=O;XKGDVVIYSCDNSN-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58822;MM58822;CNC(=O)C(C)(O)CC#N;RKYAFRNLPLXXSL-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58823;MM58823;CC(O)(CC#N)C(=O)NO;WJJKMWXHIPSCNC-UHFFFAOYSA-N;144.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58824;MM58824;C=CCCON=C(C)CN;JBDODMOMCJABQH-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58825;MM58825;C#CCC(C)=C(CN)CO;IUCQBJHIVAWXSI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58826;MM58826;CNC(=O)C(C)(F)CC#N;FYHUJZWGVJTVCD-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58827;MM58827;CC(F)(CC#N)C(=O)NO;UGFAGZHDFLLONP-UHFFFAOYSA-N;146.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58828;MM58828;C=NN=CON=C(C)CN;YZOIMXPRUVOBPB-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58829;MM58829;C=C(OC)C(C)(O)CC#N;IATDGUNVWCKZJC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58830;MM58830;COC(=O)C(C)(O)CC#N;YRMPUELXTICOMN-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58831;MM58831;C=C(CO)C(C)(C)NC=O;FUIPNNUOZNLTBX-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58832;MM58832;CC(C)=C(CN)CO;NKXMXNXYHGPTCX-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58833;MM58833;NNC(CCF)=NCCF;IUPFZTYNNZMRNH-UHFFFAOYSA-N;151.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58834;MM58834;CN(C)N(C=N)C=CC#N;AOQMJSFLYYSOJY-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58835;MM58835;CC=NNC(=N)OCC=O;SHHRXIKGNXBSOF-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58836;MM58836;CC=NNC(C)C=O;AZFDYDCNZZFWBW-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58837;MM58837;C=NNC(C)(C)C(=O)NO;WBRWBRZVVYBEFP-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58838;MM58838;CN(C)C(C#CCN)CF;WIHUPCYDIKAMQZ-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58839;MM58839;C=NN(C)C(=N)CC#N;LEKRKLUPWWLIJT-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58840;MM58840;COC(=NN)NOC(C)C;NMYLLEWWWSXGKZ-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58841;MM58841;COCOC(CN)=C(C)C;GAUATFPVELPTGH-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58842;MM58842;CCN(CC)N=CNC=N;ORXZLUKQQPEVMY-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58843;MM58843;C=C(OC)N(C=NN)OC;MQGFQGAMGPNWDK-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58844;MM58844;C#CC(=O)C(=NC)NC=C;JJLYWVIEHLPZHQ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58845;MM58845;CNN=CC=C(CN)OC;QGQGJENTJYPFJK-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58846;MM58846;C#CC=C(CN)C(=C)CO;LMDSTJKSZCGMJH-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58847;MM58847;C#CC(C)C(N)C(=C)CO;XULUOSLHJRSXJX-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58848;MM58848;C=NOC(C)(C)C(=O)NO;KQVTVLDOXDPUKB-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58849;MM58849;CON=CC=C(CN)OC;CLJWJALIKBOPKA-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58850;MM58850;C#CCC(C)(O)C(=C)CO;MOLWAYRODKAMJG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58851;MM58851;NC1C(N)C1N;DBSUDIOKJSDLAL-UHFFFAOYSA-N;87.13;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58852;MM58852;C=NN(CC)C(C)=NN;JBRRFSALGPASLK-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58853;MM58853;CCC=CC(C)NCCO;PIDOSKHSSHJGER-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58854;MM58854;C#CC#CC(C)N;RDLPTMRBXDVAFG-UHFFFAOYSA-N;93.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58855;MM58855;C#CCC(C)(O)C(=O)OC;MBPHAMUWQDZXBH-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58856;MM58856;C=CC(=O)C(C)(O)CCF;AIGLGZLMVJKRIJ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58857;MM58857;C=C(C)C(F)CN;WBVTUZWEFBYCBV-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58858;MM58858;C=CN(C)C=NC(C)=O;LFWFVAIEVOGGBE-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58859;MM58859;CC=C(CN)OC;ZNLZEJJQCASRQB-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58860;MM58860;C=C(C=O)C(C)(O)COC;SCGQSLZZSZMGNB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58861;MM58861;C=CC(=O)C(C)(O)COC;FTSUSWUVUZJEGA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58862;MM58862;COCC(C)(O)C(=O)C#N;OWUHSDRCGXQNBG-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58863;MM58863;CC(C)(CC#N)C(=O)C=O;YNKMBSLZGHLUIX-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58864;MM58864;C=C(C#N)C(C)(O)CC=O;YXNWZPRSTQZIOQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58865;MM58865;C=CC(=O)C(C)(O)CC=O;SKVDSBAODGBVIX-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58866;MM58866;C=CCC(C)(O)C(=O)C=O;IRWWEUCELGANOQ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58867;MM58867;CC(O)(CC#N)C(=O)C#N;XUVPSCXNJSYDMY-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58868;MM58868;CC(F)(CC#N)C(=O)C=O;MVHKDKSXSYTPAD-UHFFFAOYSA-N;143.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58869;MM58869;N#CCC(F)(F)C(=O)C#N;PZQYJKRIGMKGRU-UHFFFAOYSA-N;144.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58870;MM58870;CC(C)=CC(F)CN;ZIJBBLAJISQOEI-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58871;MM58871;CC(C)(NC=O)C(=O)C=O;SBAVJXDRCDXRNY-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58872;MM58872;CC(C)(NC=O)C(=O)C#N;GZTIEFDYXPYMPZ-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58873;MM58873;CNCC(C)=C(F)F;PPQDPIYQKNOOOH-UHFFFAOYSA-N;121.13;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58874;MM58874;C#CC(=N)N(N)CC;KJWRQMDOWIBJES-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58875;MM58875;C#CC(OC)C(=N)NN=C;HQQWKHVZPDQBDR-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58876;MM58876;C#CC(=O)C(C)(F)CCO;BSJDGEZQDDXTEC-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58877;MM58877;NCC(=CCO)CF;HQBBJLYWSZCFPO-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58878;MM58878;CC=C(C)C(F)CN;ZPVPOBHPEXPNHX-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58879;MM58879;C#CC(=O)C(C)(O)COC;ITXQCXJTMJBRTO-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58880;MM58880;C#CC(=C)C(C)(O)CC#N;CEFVWKCLNNMANN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58881;MM58881;C#CC(=O)C(C)(O)CC=O;PCEQXNUYHBWKSX-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58882;MM58882;C#CC(=O)C(C)(O)CC#N;TYKVMBYMEDNAGW-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58883;MM58883;C#CC(=O)C(C)(F)CC#N;ALLFOGZXUYKZIA-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58884;MM58884;C#CC(=O)C(F)(F)CC#N;FSTOWTVQKXBARG-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58885;MM58885;C#CCOC(=C)CN;XBEWQAHSXWLBJK-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58886;MM58886;C#CCOC(=N)NN=C;WZQFYESFFDDMPA-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58887;MM58887;C=CC(C)(N)C=CCO;WOTAABQNVYYYFN-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58888;MM58888;N#CC#CCNC(=N)C=O;ULJAHTONUGNTBG-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58889;MM58889;CC(C)(C=NO)C(O)CF;PQFXXRVCIHUPRL-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58890;MM58890;C#CC#CCNC(=N)C=O;LXZMIXOHVAIXJU-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58891;MM58891;C=NNC(=NCCC)NN;VFHAZEABTGGBJT-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58892;MM58892;C#CC(=O)NC(=N)C(=C)C;XMLPVAXWGVKLAS-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58893;MM58893;COC=CC(F)CN;ZIXNWWVJOJTCKU-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58894;MM58894;C=C(CC#N)NC=NO;VWFMKTSUNFURMO-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58895;MM58895;C=C(CC#N)N(C)C=NO;XUSJDOUVCQWGGY-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58896;MM58896;C=CN(C=C)C=NO;CJQZXLXWZGWGIR-UHFFFAOYSA-N;112.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58897;MM58897;C=NNC(=NCC)NN;XZVTYDQBTRQUKB-UHFFFAOYSA-N;129.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58898;MM58898;C#CC(O)C(C)(O)C=CC;ZNWQNDCPUBZGCC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58899;MM58899;C#CC(O)C(C)(O)C=CF;OXHBIQJRZFWUJW-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58900;MM58900;C=CC(F)CNC=NO;WZDBYKSQOHAHKQ-UHFFFAOYSA-N;132.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58901;MM58901;C=NNC(=NC)NN;PCESGLVAUYNEKY-UHFFFAOYSA-N;115.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58902;MM58902;C#CC(O)C(C)(F)C=NO;WJRKUOIEXIRVMD-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58903;MM58903;C=C(CO)C(C)(O)C=CF;OUMZFGADYKRORC-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58904;MM58904;CC=CC(C)(O)C(=O)CO;QRMPBBUUIFNGJF-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58905;MM58905;C=C(CO)C(C)(F)C=NO;LIFWHPZHZFYCBY-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58906;MM58906;C#CC(O)C(=N)NN=CC;FOXMIJWXIHFZNJ-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58907;MM58907;C=CC=CC(F)CN;JDLCTFDPZFJVII-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58908;MM58908;CC(O)(C=NO)C(=O)C#N;QDIQRUPKMBSYLG-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16086;MM16086;C#CC(=O)C(F)(F)C=NO;OQYPDEVFAHSTIA-UHFFFAOYSA-N;147.08;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58909;MM58909;C=NN(C)C(=NCC)NN;WWZKVWQICAHKMH-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58910;MM58910;C#CC(N)C#CCN;YBKBACIAENGCHZ-UHFFFAOYSA-N;108.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58911;MM58911;C=NN(C)C(=NC)NN;HSCPJZVMYFZXSL-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58912;MM58912;CC#CC(C)(O)C(O)CC;HOMFMTUEWBGOLK-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58913;MM58913;CCC(=NNC=N)C(=N)N;BQGNXJZBAMOXKR-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58914;MM58914;C#CC(O)C(C)(C)NN=C;WDWMFGWMAHZXIE-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58915;MM58915;CC#CC(C)(O)C(O)C=O;APODIMPRWUQJGY-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58916;MM58916;CC#CC(C)(O)C(O)C#N;ZGQDKMPZFSUCCY-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58917;MM58917;CCN(C)CC(N)CF;UUZKVPUJDZRIII-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58918;MM58918;C#CC(C)(O)C(C)NN=C;JJXLRNNRUHLOHW-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58919;MM58919;C#CC(O)C(C)(O)C#CC;RXVOATFPWXKKPA-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58920;MM58920;C=CC(C=O)C(C=C)NC;UUVQIBQUZMYQKN-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58921;MM58921;CCNN=COC(C)CN;YHZSQJCCBPMIBI-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58922;MM58922;C=C(CO)C(C)(O)C#CC;AFHYPSJARSUZFL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58923;MM58923;CC#CC(C)(O)C(=O)CO;BVEUYMKFIIDIEX-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58924;MM58924;CC#CC(C)(F)C(=O)CO;BYNSEIOHDVZXAY-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58925;MM58925;C=C(CN)OC(C)OC;GSFFYBYFROGGQY-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58926;MM58926;C#CC(=NN)ONC(=N)N;JMFCRPXMTGPSPU-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58927;MM58927;CC(C)CNNC(N)=O;BBXGONZFGCFXSD-UHFFFAOYSA-N;131.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58928;MM58928;C#CC(COC)OC(=N)N;BRAQIIQHPIQRSQ-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58929;MM58929;CC#CC(C)(O)C(=O)NC;ODBBZVLAXAIZJF-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58930;MM58930;CCC(F)=CC(F)CN;SEXSCVMSPBCLFH-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58931;MM58931;CC#CC(C)(O)C(=O)OC;WLKKUWOWWQWQAA-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58932;MM58932;COC(C)=CC(F)CN;PIDVWXBDXFHMET-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58933;MM58933;C=NNCCC(O)C#CC;RBGGRKHXPUPBPF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58934;MM58934;CNN=CC#CC(C)N;ZTVCZUMUGSUXAK-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01713;MM01713;CC=C(C)C(C)(O)CC=O;YTOYEJNTTDOVAZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58935;MM58935;C=NNC(C)(C)C(C)=NO;MHNKFFPKYMXQMI-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58936;MM58936;CC#CC(C)(O)C(F)=CC;FWSRVMBVVKILTP-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58937;MM58937;CC#CC(N)C#CCN;UIWHDTCEPFFYLN-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58938;MM58938;C=C(CN)OCOCC;KOZZSRAWYSMLKN-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58939;MM58939;C=COCOC(=C)CN;VCABEBBRGNTWFH-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58940;MM58940;C=CCC(=C)C(F)CN;OBEYYNYAMYZAKT-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58941;MM58941;C=CC(CNC)ON=C;BXXWJEZISUHTLE-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58942;MM58942;CNC(C)(C#N)C#CCO;SVXURZVERDRPRW-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58943;MM58943;C#CC(CNC)OC=O;PPQCYARRIZOVMD-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58944;MM58944;C=NOC(C=CC)CN;HNXRAIBINPIPBU-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58945;MM58945;C=NOC(C=CF)CN;AZCBTQHGIPBEOC-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58946;MM58946;CC=C(NC=N)OC=O;APUSHHGTLVVNHC-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58947;MM58947;C=CC(CN)ON=CC;SYTDVRHHLRHGHW-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58948;MM58948;COCC(C)(O)CCCO;YYFJEYWCRHTCQE-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58949;MM58949;COCCC(C)(O)COC;RVCSHTJUOXUXFI-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58950;MM58950;C#CCOC(=CC)CN;FUTMZJIKAAGIEW-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58951;MM58951;COC(=CCCF)CN;BCHRVZZZNWNETF-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58952;MM58952;C=NN=C(C)NCCCN;AYMIWSAWYHEWQO-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58953;MM58953;C=C(CN)OC(C)(C)OC;YDVMFPDMBFXAEQ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58954;MM58954;C=C(CN)OC(C)OCC;CSWLPLPZZFTZCJ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58955;MM58955;CC=CC(N)CN(C)C=O;AXYILVCMZYSCIG-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58956;MM58956;C=NNC(=N)CCNCC;ZCDABJDBPCLMLV-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58957;MM58957;CCN=CN(O)C=NOC;ROWMXXDHARHTBL-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58958;MM58958;CC=C(C=NO)OCCN;QSEYKWVIXRKQPZ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58959;MM58959;CCOCC(C)(O)CCO;GJQGSESDHGTQEA-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58960;MM58960;C=COC(CN)CC=NO;IUFWWAREIIGPAT-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58961;MM58961;CCOCC(C)(O)COC;YPRDFAQYDSCXRP-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58962;MM58962;CC(C)=NNCC#CCN;AQRYJEDIYUPJBM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58963;MM58963;CN(C)N(CC#N)C(=N)N;TYHFAZLEUYDPIZ-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58964;MM58964;C=C(C=NO)OCCN;ZPEPSRXYVPSWBV-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58965;MM58965;CC(C)(CCO)OCCO;BOTVZUOJEKHUOX-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58966;MM58966;COCOC(C)(C)CCO;BESXCEKGHOTTQS-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58967;MM58967;C#CC(=NO)C(=C)C(C)N;UPZRFBATBTUFDL-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58968;MM58968;C=CC(=C)C(F)(CN)CN;MQXWGYYVOXBURF-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58969;MM58969;CCOC(C)(C)OCCO;ZAXDRAYADJLNFF-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58970;MM58970;N=CNC(=O)NC(=N)N;NYVDFJXBSPRYPX-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58971;MM58971;COCC(C)(O)CCC=O;YIXCQASBGCOQRW-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58972;MM58972;COCC(C)(O)CCC#N;SEYYXLHZOKZDRJ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58973;MM58973;C#CC(C=C)(CN)OC=O;CFWUCHZSORJMKX-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58974;MM58974;COC(=CC(C)CF)CN;RBCLOXUSULAELK-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58975;MM58975;CC(C#N)NCC#CCO;CRHQJPFJCMGSTA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58976;MM58976;C#CC(C#C)=CN(N)C=N;ZDTNBPOXWXTDFV-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58977;MM58977;C#CC(=N)N(C)N(C)CC;ZOZUCDVNGIEUDC-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58978;MM58978;C=C(C(C)CF)C(F)CN;UPLWMYMMCLUUPH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58979;MM58979;C=CN(C=N)C(=C)C=NO;GXVAJRLLZOCDQK-UHFFFAOYSA-N;139.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58980;MM58980;CC(F)(CCO)COC=O;DXSNFUJEPBCELR-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58981;MM58981;C#CC(C)=C(C)C(F)CN;LVIBCJFVAAVFCK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58982;MM58982;C=C(CN)OCON=CC;JSBCUKUVCWDWDF-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58983;MM58983;CC(=CF)C(C#N)NC=N;QNVFWQWSBKPANT-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58984;MM58984;C=COCC(C)(O)COC;AMAOIVMXQREKQC-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58985;MM58985;C=C(OC)C(=NC)NC=N;NCIHYJPRPXZXHP-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58986;MM58986;N=C(N)C=NNC(=O)CF;GWHIXFGUHUNFTK-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58987;MM58987;CCN(C(=N)N)C(=N)C=O;SEOFVUVUEPQIPF-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58988;MM58988;C=COCC(=NC)N(C)N;IPWXUJCXDXRBRZ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58989;MM58989;CC#CC(=NN)N(O)CC;UDAIWHHQHLRGAK-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58990;MM58990;C=NOCCC(CF)NC;VVMUGEWIGZNDJE-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58991;MM58991;C=CC(CN)ON=COC;KYUJBSFUZFXXTA-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58992;MM58992;CC=C(C)NC(=N)NC=O;ZYHAUQJAOAZNJY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58993;MM58993;CC(C)(CCO)OCC=O;BIWOEQFQQHZAAZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58994;MM58994;CC(C)(CCO)OCC#N;YEIPXDOGUTYXEN-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58995;MM58995;COCC(C)(C)OCC#N;JDXJQMJTFOZTLD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58996;MM58996;CC(C)(CCO)ONC=O;ZTVUPWYTIWEOKD-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58997;MM58997;COCC(C)(C)ONC=O;UKGJVPGJPKSMAH-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58998;MM58998;CCOC(C)(C)OCC#N;VJUYYPRJQWZDCV-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM58999;MM58999;CCOC(C)(C)ONC=O;OOSQTFCLGPTELX-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59000;MM59000;C#CC=NOC(C=C)CN;UFJKNELIMMDRKK-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59001;MM59001;C=NN(CC)CC#CCN;IKLXVQDORUTROS-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59002;MM59002;N=C(N)NC=O;XEBPBJPZBUSUEO-UHFFFAOYSA-N;87.08;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59003;MM59003;C=C(CNC)C(C#N)CF;VRLRXANXFNZIBY-UHFFFAOYSA-N;142.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59004;MM59004;C=CC=NNCC#CCN;YCEWTZSUIFOEIJ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59005;MM59005;CC(O)(CC=O)CCCO;ZJFMWADGHXDOEQ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59006;MM59006;CC(O)(CC#N)CCCO;IVHAWHKTFYDRKD-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59007;MM59007;CC(O)(CC=O)CCCF;GWFAPGKMZFPBGR-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59008;MM59008;CC(=NNC=O)C(=N)N;OFNZVMPTSUFDMS-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59009;MM59009;C=CC(F)CN;MNIZGWVRAFIZFK-UHFFFAOYSA-N;89.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59010;MM59010;COCCC(C)(O)CC=O;YXPICCMDOSFNNC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59011;MM59011;COCCC(C)(O)CC#N;QBEDBJPKDDGPJD-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59012;MM59012;CCOCC(C)(O)CC#N;PYDJDTSNOJJFNK-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59013;MM59013;C=C(CC)C(CO)=NN;FHFBRDIVJNKFNQ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59014;MM59014;C=CC(=O)NN=CC(=N)N;JIZVZZSJPCRQAX-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59015;MM59015;C=C(CN)OC;IOKWTFMWXCETEP-UHFFFAOYSA-N;87.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59016;MM59016;CNCC(O)C#CC(C)C;VCYYBSSVWMJAOB-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59017;MM59017;C=NOCCN;RHFVGVPKOKTLFU-UHFFFAOYSA-N;88.11;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59018;MM59018;C=CC(F)CNC;DRASAKPTJHIYSB-UHFFFAOYSA-N;103.14;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59019;MM59019;C=C(CN)OCC;OWQOJUXBNSBRSQ-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59020;MM59020;CC=CC(F)CN;RCKVFXPTAOJLMI-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59021;MM59021;CC(C)(CC=O)OCCO;CIUOXEGRAAOTQG-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59022;MM59022;CC(C)(CC#N)OCCO;YIJUKVKVHMBBSY-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59023;MM59023;CC=NOCCN;HVRFZWUYFOUPSV-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59024;MM59024;C=COC(C)(C)OCCO;CHRMEVQQXIJXHW-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59025;MM59025;C=CCC(C)(O)CCC=O;URPFHAPYVUAWGT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59026;MM59026;CC(O)(CC=O)CCC#N;UPAIYAFKZVMHAM-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15754;MM15754;O=CCCC(F)(F)CC=O;KLBWRUZKSUWVCU-UHFFFAOYSA-N;150.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15701;MM15701;N#CCCC(F)(F)CC=O;OTJHQCDANMHZEN-UHFFFAOYSA-N;147.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59027;MM59027;N#CCCC(F)(F)CC#N;YDBUZBYQHWAMJR-UHFFFAOYSA-N;144.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59028;MM59028;C=C(F)CN(N)C=N;CBGRXYPTJHKOPT-UHFFFAOYSA-N;117.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59029;MM59029;C=CCC(C)(O)CNC=O;RVFFASLOMOEXBB-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59030;MM59030;CC(O)(CN)CO;RBOBRXOSWNUVEJ-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59031;MM59031;C=C(CN)OC(C)C;YDKDRBSLBMIBBK-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59032;MM59032;CC(F)(CC#N)CNC=O;XGMFVHLECWGOQC-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59033;MM59033;C=CCC(F)(F)CNC=O;BMXYVCXBCLJCPF-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59034;MM59034;C=COCC(C)(O)CC#N;CAXBMKSGUYGPPI-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59035;MM59035;CC(C)=NOCCN;HTAOLQAEJKGARY-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59036;MM59036;CC(C)(CCC#N)NC=O;HTHBJIWZQXZPSZ-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59037;MM59037;C#CC(C)C(O)C(=C)CN;XCHYJYXDAUCRCJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59038;MM59038;C#CCC(O)C=CC=NN;KMGFSZWVEAXZAX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59039;MM59039;CCCCNN=CC(C)O;BNKZPLJCOPYZBC-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59040;MM59040;CNCC(F)C=CF;QLBUSRHWVLFNPF-UHFFFAOYSA-N;121.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59041;MM59041;C=CCOC(=C)CN;BWUJXUMQTKBAFA-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59042;MM59042;CC(C)(CNC=O)OC=O;FOOVHCWXEWQUMA-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59043;MM59043;CCC=NOCCN;MLYCZTMOFZGQLP-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59044;MM59044;CC(C)(CC#N)NNC=O;SUPFFRWZUYFAFD-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59045;MM59045;C=COC(C)(C)OCC#N;DTSCARYESKFHBZ-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59046;MM59046;C=CC=NOCCN;JMEQULQLCFMFEZ-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59047;MM59047;C#CC=NOCCN;KBCKEDDKNPDXPT-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59048;MM59048;CNC(C)(C)C=C(F)F;CRMCRAMWBWGCKR-UHFFFAOYSA-N;135.16;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59049;MM59049;CC(F)=CC(=N)N(C)N;KDPMBBVQTQUENU-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59050;MM59050;CC#CC(=N)NN(C)C;DFECRRXWNHQQSW-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59051;MM59051;C#CCC(C)(O)CCC#N;DACCYZXRCMHDPG-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59052;MM59052;CNCC(F)C=C(C)C;UTYRHYADXOSLDJ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59053;MM59053;C=NN=C(C)N=CNO;QOGJZNJIWYJUQF-UHFFFAOYSA-N;128.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59054;MM59054;C#CCC(C)(O)COC=O;NVEIBNMAEUFDHH-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59055;MM59055;C=C(C)C(F)(CN)CN;WKWBOFYCMDKYRF-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59056;MM59056;C#CCC(O)C(N)C=C;LWXJQFSXAQCGNS-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59057;MM59057;C=C(CN)OC(C)CF;YCLOBGJBSJEVEF-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59058;MM59058;C#CCC(O)C(=C)CN;OIHQGBYKQORRPX-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59059;MM59059;C=C(CN)C(O)C(C)C;KECJOWLJJXMYGM-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59060;MM59060;CC=NN=C(C)N=CNO;DSTUBLCDCGOALO-UHFFFAOYSA-N;142.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59061;MM59061;C#CC(NN=C)C(C)CO;VZWNAVVCNKEGQP-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59062;MM59062;C=NN(C)CC=O;VASCNDIPNRFCMM-UHFFFAOYSA-N;100.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59063;MM59063;COCC(C)(O)CC=NO;NMIAEARKNAUNHG-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59064;MM59064;CC(C)C=CC(F)CN;LROJIOYGRSSKHH-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59065;MM59065;CC#CC(C)(CO)NC=N;OYPOTVWNHRGDOT-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59066;MM59066;N#CC(=O)CNC(=N)N;XKBCGUHEZNQXST-UHFFFAOYSA-N;126.12;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59067;MM59067;CC(F)C=CC(F)CN;NHOJYXIQYGVARR-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59068;MM59068;COCOCCN(C)C;CRESMEDBPUNNNF-UHFFFAOYSA-N;133.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59069;MM59069;CC(C)C=NOCCN;NOTIHDUJYZGJRJ-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59070;MM59070;C=C(CC=NN)C(=O)NC;QPUOVKGIGVMPIN-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59071;MM59071;C=NNC=NNC(=N)OC;TVIDGQNSDZHNHA-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59072;MM59072;COCC(C)(C)OC=NO;GKAFIOMBRDMUPS-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59073;MM59073;CCOC(C)(C)OC=NO;IRCIAHPHNUHKKU-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59074;MM59074;C=C(F)C=NOCCN;FAMCCMMFTHFJOZ-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59075;MM59075;C=C(CN)C(O)CC;YMRYUESAHFNYLB-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59076;MM59076;CC(C)(CC=NO)NC=O;QRIQEJHKQMEGJG-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59077;MM59077;C#CC(C)C(N)(C=C)CO;FMCUZABLQWLEEO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59078;MM59078;CC=NNCC(=O)N(C)N;IQEOSMZVYKQZCI-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59079;MM59079;C=CNC=NC(C=C)CO;FQSGQWRXDZXRNO-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59080;MM59080;CC(C)(CC=O)OC=NO;ZCIXAQDRHZIZGI-UHFFFAOYSA-N;145.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59081;MM59081;C#CC=CC(N)C(C)O;VSVYVDRNQZONLX-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15442;MM15442;C=COC(C)(C)OC=NO;RSMSRVQMXSCUSD-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59082;MM59082;C=C(CF)C(=N)NO;VUQOMUZNYGCJFC-UHFFFAOYSA-N;118.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59083;MM59083;CC(C)(OC=O)OC=NO;NFDBAZNJRHFUJJ-UHFFFAOYSA-N;147.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59084;MM59084;CCC(=CC(=N)NO)NC;MUCQLCKSFKEKQI-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59085;MM59085;C=NOC(C)(C)OC=NO;WOAMNKCMSLQGJD-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59086;MM59086;CC#CCC(C)(O)CCO;DWCYYCUBCOQRHF-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59087;MM59087;CCC#CC(=N)N(C)N;VHBWCFMJPMEHER-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59088;MM59088;C#CC=C(C)C(N)CO;HKLWLMATCFWUTK-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59089;MM59089;C=CC(CO)NCC;RRLFVSISUILLQE-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59090;MM59090;C=C(CN)OCCCF;PNPSNCCCKJLWGB-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59091;MM59091;C=C(CN)OCC=CF;WIPUCWNFORVHRI-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59092;MM59092;CCNC(C=C(C)C)CO;IYTDYJOYMXNUDO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59093;MM59093;C=CCOC(=NN)NOC;CHMNGJZRISEMLG-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59094;MM59094;COCCC(C)(O)C=NO;VPYSTVABJLZJRP-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59095;MM59095;COC(C)=NOCCN;KZFHWVZTGOONNG-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59096;MM59096;C=CC(C)=NOCCN;HYOCVOGOWDZPRA-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59097;MM59097;C=C(CNC)C(C)C#N;GNJWRWXBFWPVKY-UHFFFAOYSA-N;124.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59098;MM59098;CC=C(CC#N)CNC;KATDXQWMIGTFBD-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59099;MM59099;C=C(C)N(C=N)CC#N;KOCANPUOHIGYKJ-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59100;MM59100;CC(C)C=C(CN)CO;PRTZEBIVACSHEJ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59101;MM59101;C=CC(C=CC=O)NC;NFTAOPHRZFNMBY-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59102;MM59102;C#CCC=C(CN)CO;QLUYRXVZVQVQTM-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59103;MM59103;C=COC=NOCCN;BCNIWQYGIHCEHG-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59104;MM59104;CC(F)(C=NO)CC=NN;LVHNRXNGKPCJEW-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59105;MM59105;C=NOC=NOCCN;UDPVNNZOLPNDKB-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59106;MM59106;C=CC(C)C=C(CN)CO;KYSCDTSNIWZIBI-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59107;MM59107;C#CC(C)C=C(CN)CO;FAZGEWUKKVDOJS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59108;MM59108;NCCON=CC=CF;SKGKZBOSVLXQMA-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59109;MM59109;CC=NNC(C)(C)C=NO;RKXWBORRXYXOKP-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59110;MM59110;CC(C)(C=NN)OC=NO;RMWSNXHFKHVPAD-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01711;MM01711;CC#CCC(C)(O)C=CF;CWSKOTWNMXLWTA-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59111;MM59111;CON(C(C)=N)C(C)(C)C;YCQHEIXAPMBXRL-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59112;MM59112;C=C(F)CC=C(CN)CO;QTIFRPHWYKNRKK-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59113;MM59113;CC#CC(C)(O)CNC=O;DXXZGJJIFDETSP-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59114;MM59114;CC=C(CN)CO;FKCYFYIZBAJBEN-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59115;MM59115;C#CC(C)(N)C(=C)COC;ABMYLOIDYOJILY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59116;MM59116;CC#CC(C)(O)CC=CC;RBWFXMVYTYEQGR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59117;MM59117;CC#CC(C)(O)CC=CF;YIRFGEXOTCFYQW-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59118;MM59118;C=CCNC(C)CO;YOCKVOFQTVGVQW-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59119;MM59119;C#CC(=N)NC(=N)CC=C;AYEBWQDSNYXCEX-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59120;MM59120;C=NOCOCCN(C)C;ZRMVKSRYWYSCAD-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59121;MM59121;CCC=C(CN)CO;MPEIKDRZEUGSLL-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59122;MM59122;CC(O)(C=CCF)CCO;LWMSACOYFOYLPE-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59123;MM59123;C=CCONC(=NN)OC;PVXGKINSSIJJKW-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59124;MM59124;COC=CC(C)(O)CCO;SNETYGJCXQABFR-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59125;MM59125;C#CCNNC(=N)C#CC;JCZPQPYQUBJBFN-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59126;MM59126;COCC(C)(O)C=CCO;LZQLPPOFKVQRKR-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59127;MM59127;CN(CC#CCN)CCF;YMVRSFBMHLSNKR-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59128;MM59128;COC=CC(C)(O)COC;CHIVHTIYWOLWSW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59129;MM59129;C#CCC(C)=NOCCN;QNGZIFQRXFULEP-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59130;MM59130;CC(C=CF)=NOCCN;TYOLPBWKLJEPAG-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59131;MM59131;CCNN(C)C(=N)C=CF;TYVRWOWLFBVQFX-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59132;MM59132;CC(C)=C(OC=O)C(C)N;KONSAFZEYISKQZ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59133;MM59133;C=C(CC)C(F)(CN)CN;PWAZMXYPECNPFR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59134;MM59134;COCC(C)(O)C=CC=O;WTRQYIVVUKBVPC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59135;MM59135;C=NN=CC(C)(O)CCO;AFDOGGVNPZBIBE-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59136;MM59136;CC=C(C)C(F)(CN)CN;GVASPSZWSVMMEZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59137;MM59137;C=CC(C)(OC)ONC=N;UGQCKZZNMAICQA-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59138;MM59138;C=CC(C)NCCO;ANDYRPUSJKSUKN-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59139;MM59139;CC(O)(C=CCO)CC#N;POCJRGKXHSUAFA-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59140;MM59140;COC=CC(C)(O)CC=O;KZALKSTWTQWRRM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59141;MM59141;COC=CC(C)(O)CC#N;KKVFIOPRQROXBY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59142;MM59142;CC(C)=CC(C)NCCO;SSUCYLGASJMOCQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59143;MM59143;CNC(C)(C#CCN)CF;VBZLNPUTLVNGPG-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59144;MM59144;CNN=CC(=NOC)NC;QCWWTVRXYHQYTD-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59145;MM59145;CC=C(C#N)NC(=N)NC;KLAKBESBZLAFBI-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59146;MM59146;CCON=C(C=NN)NC;HBMNERCVHGSDDC-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59147;MM59147;CC(C)(C=CCO)NC=O;PSAGQKMTJCZJCS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59148;MM59148;C=COC(N)=C(F)C=NN;UCISAMSYQMYXQH-UHFFFAOYSA-N;145.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59149;MM59149;C=CCON=CNCC#N;UITMNTHZCUAZEO-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59150;MM59150;C=C(C)C=CN(C=N)C=N;VKTJSMNAGXNKSS-UHFFFAOYSA-N;137.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59151;MM59151;C#CC(=C)N(C)C(=N)C#C;KOPBQMZNNICDKU-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59152;MM59152;C=CCC(C)(O)C=CC=O;CFBCTOBDHJJIHO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59153;MM59153;C=CC=CC(C)(O)CC=O;FUNOFVBGNSYYPJ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59154;MM59154;C#CC(=N)N(C)NCC#N;PDBXSEHJGGRRAL-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59155;MM59155;C#CCC(C)(O)C=CCO;YJTTYOOVFIDGEH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59156;MM59156;C#CC(=N)N(N)C=CCC;PFMRVBMMDNKSGD-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59157;MM59157;C=COCC(C)NCCO;PXZWDYXMSRJYDQ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59158;MM59158;C=C(CN)OCCCOC;QVIOXJWTCKIAEZ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59159;MM59159;CN=CN=C(NC)NOC;RQOBVOHMDOEYSW-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59160;MM59160;CNC(=N)NN=COC;WVFCSIGDSNLCRN-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59161;MM59161;CNCC(C)=C(F)CC=O;BNXBBRYAUHUEKK-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59162;MM59162;C=NNCCOC(=C)CN;URJKUPKLFFQUEJ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59163;MM59163;C=C(CC)CN=CNNC;LJJGISAYKYEURN-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59164;MM59164;CC=NNC(=NC)NN;NBVYUMAVCIDIRR-UHFFFAOYSA-N;129.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15370;MM15370;CC#CC(C)(O)C=CCC;KFSGDPDADBSSEQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59165;MM59165;CC#CC(C)(O)C=CCO;CGPJFSFMZLKWMO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59166;MM59166;CC#CC(C)(O)C=CCF;KUDSOGRPUACYSK-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59167;MM59167;C=CN(C=NN)C=NO;MLXZZNWNMLGWBR-UHFFFAOYSA-N;128.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59168;MM59168;C=C(CN)OCC=NNC;HITUZYWZUPUUCG-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59169;MM59169;COCC(F)(F)C#CCO;LBJSOXOSPVMUER-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59170;MM59170;CCC(F)C=NOCCN;QYQXTELGMBACMV-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59171;MM59171;C=NN(CC)C(=NC)NN;NMIFSDHBUXOCAZ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59172;MM59172;CC(O)(C#CC=O)CCO;GUVRRYBRJQXUTJ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59173;MM59173;C=C(C=NOCCN)CF;MINBELZBSSDDEC-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59174;MM59174;CNN=CC=CC(C)=NO;QTULLDZLEWVOKV-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59175;MM59175;C=CCC(=O)NC(=N)C=C;VXMYZFVWFIFZAE-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59176;MM59176;CC=NN(C)C(=NC)NN;JRCUSVJVZPFHJF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59177;MM59177;C#CC(=C)C=NOCCN;ORPPPKKOLCRMIH-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15338;MM15338;C=CC#CC(C)(O)COC;VCZFGRCQGYKHRN-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59178;MM59178;COCC(C)(O)C#CC=O;ZLPOFOXFPFBGKZ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59179;MM59179;CC(C=NOCCN)=CF;YSWNUUBJZPLLMR-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59180;MM59180;CNN=CNC(=NN)NC;DTCIKCWMOLVTKX-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59181;MM59181;C#CC#CC(C)(O)CCO;UECRXCDVBBNRMP-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59182;MM59182;C=CC(=N)N(C)C=NNC;AVEXUAVKQAOSSY-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59183;MM59183;CC=NNC(CF)CNC;SKIZIPDFXMONMM-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59184;MM59184;CNN=C(C)NCCC#N;RPKQVSQLQPJDHP-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59185;MM59185;C=C(CC)N=CNC(N)=O;URFIDWJINYRBSA-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59186;MM59186;CC(O)(C#CCO)CC=O;QDMOICOXEQWNEK-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59187;MM59187;CC(O)(C#CCF)CC#N;KQZNGKJDLVPGPM-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59188;MM59188;O=CCC(F)(F)C#CCO;YNJFANRQPQWNMW-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59189;MM59189;C#CCN(C)C(C)=NO;NTOMLCINXYKXKT-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59190;MM59190;CC(C)(C#CCO)NC=O;ZRNFELFBNPMANZ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59191;MM59191;CCN(C(C)=NO)N(C)C;YQCSTQQLBQZCQV-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59192;MM59192;CNCC(C#CC=O)OC;VAJIGNVTLSFXFJ-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59193;MM59193;CC(C)(C#CCO)OC=O;PGYFEKWXEOKBMP-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59194;MM59194;C=CCC(C)(O)C#CC#N;GLYVHABCKWYZKB-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59195;MM59195;CC(O)(C#CC=O)CC=O;YGIPTTGATKFVBH-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59196;MM59196;CC(O)(C#CC=O)CC#N;MVQIEVCAPVWRBZ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59197;MM59197;CC(O)(C#CC#N)CC=O;NTJZBFALTKXOMD-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59198;MM59198;CC(O)(C#CC#N)CC#N;IFRAJKNVFGEMLF-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59199;MM59199;N#CC#CC(F)(F)CC#N;QUGODPLKPUHOEM-UHFFFAOYSA-N;140.09;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59200;MM59200;C#CC(=NC)NNC=NC;WVYLZTVMWVGHLN-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59201;MM59201;C#CC#CC(C)(O)CC#N;VBALVEZENJDOBZ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59202;MM59202;C#CC(C#CCNC)=NN;IMFMTTUQCWVKPQ-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59203;MM59203;CCNC(C)C(C=O)OC;IUIZRDLCZMSAEB-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59204;MM59204;C#CCC(C)(O)C#CCO;LDRAQYIOLFORAJ-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59205;MM59205;C=CC(=NOCCN)OC;ZWQNVQSQFLHRGX-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59206;MM59206;CC=CC(C)(O)C#CCO;XAGIHSREEXBBLT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59207;MM59207;CC=CC(C)(O)C#CCF;PXUKRTFYZVLBQS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59208;MM59208;CC(O)(C#CCO)C=CF;JOOICLVKMVQNFJ-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59209;MM59209;CC(O)(C#CCF)C=NO;ZCMZWNVSHQPXQH-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59210;MM59210;CC(F)(C#CCO)C=NO;ZYSRKZKEZBKVHI-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59211;MM59211;NN=CC(F)(F)C#CCO;KKHHANKTNRIKCQ-UHFFFAOYSA-N;148.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59212;MM59212;C=CC#CC(C)(O)C=NO;ZSEYCDMBUNWMLH-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59213;MM59213;CC(O)(C#CC=O)C=NO;AHZJVIJSXZNGSF-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59214;MM59214;C#CC#CC(C)(O)C=NO;MEJNVANNGLSHDV-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59215;MM59215;C#CC(=NOCCN)OC;BOOADFLIKTZLQL-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59216;MM59216;CC#CC(C)(O)C#CCO;SFSVOINGIZRKJS-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59217;MM59217;C#CC(N)C(F)(F)F;NZCMEDZNJICJSK-UHFFFAOYSA-N;123.08;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59218;MM59218;N=CN=C(C=O)N(O)C=N;WQOCJBQRSSQTJD-UHFFFAOYSA-N;142.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59219;MM59219;CC(C)C(C)(O)C(O)C#N;KSHXJOUMNXRDBM-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59220;MM59220;N=CNC=C(F)C=NN;GDJSKLYEAUXXEN-UHFFFAOYSA-N;130.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59221;MM59221;C#CC(NN=C)C(O)CC;GMASWNPENWENKE-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59222;MM59222;C#CC(C=C)=NOCCN;QCSUBYVUQHZTBH-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59223;MM59223;C#CC(O)C(C)(C)C(C)O;CDNMSZLPEBORQE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59224;MM59224;C#CC(C#C)=NOCCN;UYHSHVJJXZHODG-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59225;MM59225;C=CC(=NN)C(C)O;OMRVMNGRTAOZJD-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59226;MM59226;C=CCC(=N)N(CC)OC;HKNXPXSDVZCRDZ-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59227;MM59227;C=C(C)C(=N)NC=NC=N;WRKXXKQAKOUFHS-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59228;MM59228;C#CC(O)C(C)(O)C(C)C;XLSXIXXGVMBOMH-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59229;MM59229;CCCOC=NOCCN;STPFAZZYYFJBCY-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59230;MM59230;C=CC(C)C(=NN)C(=N)N;UISSPVCTRDBDOF-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59231;MM59231;C#CCOC=NOCCN;HJOLRIMNFRCBTP-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59232;MM59232;C#CC(NN=C)C(C)(C)O;LZFRICJOGJPORM-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59233;MM59233;CC=NOC=NOCCN;BZZJRAGAVSNKMT-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59234;MM59234;COC=CC=NOCCN;UXJXOZJQXOVPOF-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59235;MM59235;C#CCC(C#C)OC(=N)N;UHRCWQUTQZADDM-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59236;MM59236;NCCON=CC#CCF;USCKPAGCBSEEPT-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59237;MM59237;NCCF;FURHRJBOFNDYTG-UHFFFAOYSA-N;63.08;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59238;MM59238;CCN=CC(=CNN)OC;WZDMZTCVZBNAEQ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59239;MM59239;C=CC(O)C(C)(C)C(N)=O;USGBYGINOQQUAC-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59240;MM59240;C=CC(C)C(C)(O)C(C)=O;GFCIXBHXDNCHNZ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59241;MM59241;CNC(C#N)C(N)=O;YCUCEBTXRUANNH-UHFFFAOYSA-N;113.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59242;MM59242;C=C(C)C(C)(O)C(O)C#N;PBAYWRHMKXNSRA-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59243;MM59243;N=C(N)C=C(F)F;ZFQBFVQXFDELFY-UHFFFAOYSA-N;106.08;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59244;MM59244;C=NN(C)C(C)(C)C(=O)O;OKGWXGPFRKGBMK-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59245;MM59245;C#CC(O)C(C)(C)C(N)=O;IHYSSMYOCDKXNZ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59246;MM59246;C#CCC#CCN;QBQSNAZRRPPECN-UHFFFAOYSA-N;93.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59247;MM59247;CCN(OCC#N)C(=N)N;ZPCOJSOFQVQHSZ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59248;MM59248;CNCC(C)=CC#N;HEOHWUGXZZRWGZ-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59249;MM59249;C=NOCCNCC;AHVXWEIFWGXJAT-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59250;MM59250;C#CC(C)(N)C#CCN;CQLXVOYJNYZUAO-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59251;MM59251;C#CC(CC#N)OC(=N)N;RWENIGIDDVWZTN-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59252;MM59252;C#CC(=C)C(C)(O)C(C)O;XGWFAJYPJADINR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59253;MM59253;C#CC(=O)C(C)(O)C(C)O;UZHORLGADZXMSL-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59254;MM59254;C=CCC(F)(CN)CF;VLXADJCSQXIEAO-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59255;MM59255;CNC(=O)C(C)(C)C(C)=O;MVBMMUIGRZNLFX-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59256;MM59256;CC(=NO)ON=CC(C)N;AWPLDSCBRMZCHI-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59257;MM59257;CC=CC(F)(CN)CN;FOHIRHDUSHEMKD-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59258;MM59258;CN(C)CCOCC#N;YGDRMBVYLCBNCP-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59259;MM59259;C#CC(=N)N(C)N(C)C;RTRVWMOEUWGWTP-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59260;MM59260;C=CC(=O)C(C)(C)C(N)=O;MWXHHHDIPQECHD-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59261;MM59261;CCC(CN)OC=NO;YUXKNHQBZXOPBE-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59262;MM59262;C=CC(=O)C(C)(O)C(C)=O;CCFKVJZIVRXSNK-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59263;MM59263;C#CC(=O)C(C)(C)C(N)=O;KWUFBDICKSWBGO-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59264;MM59264;CC=NNCC=CNC=O;MNUSUBAMAXIEKA-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59265;MM59265;C#CC(=C)C(C)(O)C(N)=O;PHIYXLPAASWCGF-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59266;MM59266;C#CC(=O)C(C)(O)C(C)=O;DNTMTFHKVMMTDH-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59267;MM59267;NCCOC=CC=NO;WYEXKHRQHWJWER-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59268;MM59268;CC(=O)C(C)(C)C(C)=NO;STLIHPKNAMDZCC-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59269;MM59269;C=C(C#CCNC)C=O;KOWJWINOHRVZAY-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59270;MM59270;CNCC(F)C(C)=CF;ITACSOGTULNLIW-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59271;MM59271;COC(=CCN)C(C)=NO;IBXDCHIMPAVNHG-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59272;MM59272;CNCC(C)=C(C)C#N;YPSFPOCZMMULQC-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59273;MM59273;C=C(C=NO)CNCC;OHGXQZXFGFCZKP-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59274;MM59274;CCC=CC(=O)NC(=N)N;DVOOPVHJUAYJMG-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59275;MM59275;CNCC(CC#N)OC;WHFVXCDMUNOMFD-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59276;MM59276;CN(C=N)NC(=NO)NO;KJGBDWXBEBXRHF-UHFFFAOYSA-N;147.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59277;MM59277;N=C(N)C=NNC=O;PSSKWBUZKMYCTG-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59278;MM59278;C=CNC(=N)C(O)C#CC;LDEAHCKPRZBLOQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59279;MM59279;CCOCC(C)(O)C(C)O;FWHXTQNUKZTRJG-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59280;MM59280;C#CC(C)(N)C(C)(C)OC;RRIIZUGCOGTFCT-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59281;MM59281;CC#CC(C)(N)C#CCN;RJMPOAHYPXRSMT-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59282;MM59282;N=C(N)C#CC#CCO;JEYDKEJYLFWDBD-UHFFFAOYSA-N;122.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59283;MM59283;CC(O)C(C)(O)CCC#N;TZRCIUZQXMJGBY-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59284;MM59284;C=C(C#CCN)CN(C)C;ISZSBXIIHHXVPK-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59285;MM59285;CC#CC(O)CNC;JMIDHWFGKALLQC-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59286;MM59286;C#CC=CN(O)C(=N)NN;LKILMZWDLBJUCO-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59287;MM59287;C#CC(NC(C)C)C(=C)C;VMNMFLYIYUZJGI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59288;MM59288;CC(=N)N(O)CC(C)CF;TXUSGQKLGUQYNY-UHFFFAOYSA-N;148.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59289;MM59289;CCC=CC(C)(CO)NC;QJUTTWWQGOERNJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59290;MM59290;CC(O)C(C)(F)CNC=O;KAACLADLGQCOEJ-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59291;MM59291;CN=CN(N)CC=COC;VRMGVPPEEAIODU-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59292;MM59292;CC(=NC=CC#N)NC=N;DSQHLWMEDBLACU-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59293;MM59293;C#CC(OC)C(N)C(=C)C;ZWVYMYDYFBUBON-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59294;MM59294;CCOC(CC#N)CNC;MIYSZAIVCPECKN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59295;MM59295;CC(=CF)C(N)C(C)O;DXRCSTPZVCSWSS-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59296;MM59296;C=NNCCC#CC(C)O;DXNBZFUYQJUWSC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59297;MM59297;CC(C)C(C=NN)C(N)=O;YHOHLQCVNKWDNS-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59298;MM59298;CNCC(=CC#N)CCF;MLAQEHFOXRTMDN-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59299;MM59299;CC(O)C(C)(C)OCC#N;UKGHKBXXHQRQPF-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59300;MM59300;CC(O)C(C)(C)ONC=O;RNIZPVXHXVVILD-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59301;MM59301;CNCCC(F)(C#N)C=O;MCSYVXWGMWVLHD-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59302;MM59302;C#CC(CN)OC(=O)C=C;PVQGYYHXEYFJOE-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59303;MM59303;C#CC(=O)OC(C#C)CN;LOAOABTZJQFPRS-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59304;MM59304;C#CCCC(C)(O)C(C)O;DZLARECKWSOUKB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59305;MM59305;C#CCNN(C)C(=N)C#C;VYLNEEFDKZHIIT-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59306;MM59306;C=NNCCC(=N)N(C)O;NPOXXKUUOPFZDM-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-fluoro-2,2-dimethylpentanoic Acid";MM01605;CC(C)(CCCF)C(=O)O;XCFOXOIABACXKO-UHFFFAOYSA-N;148.18;1.85;81114484;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59307;MM59307;CCNC(C#CCN)CF;OGDMIQCSEBJRPG-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59308;MM59308;CNC(C#CCN)C(C)F;YGZMVNBQSWZQBQ-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59309;MM59309;CN=NC(CO)=C(C)NN;QEVMLCFBOUWZRI-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59310;MM59310;C#CC(CN)OC=NN=C;OPCGMAYLCCSWAC-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59311;MM59311;CC=CC(CO)=NNC;TWWVLFBSZKSPJI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59312;MM59312;CC(=O)C(C)(F)CCCO;XXCWJECBHHDPQI-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59313;MM59313;CNC=NC=C(C#N)OC;XAWIECZLEWCBAJ-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59314;MM59314;NCC(F)CN;TXQUTKBUDACTOB-UHFFFAOYSA-N;92.12;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59315;MM59315;C=CCN=CN(C)N;KLPPEGKPQQWABT-UHFFFAOYSA-N;113.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59316;MM59316;CCCNN=CCO;VVOPLOSIJUZSCJ-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59317;MM59317;C=C(C)C(F)CNC;OZUPJKLRHCSPOS-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59318;MM59318;C=C(OC=O)C(C)N;FHFJLYQBSWWSET-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59319;MM59319;C=CC(C)C#CCN;QSXWLYYUEHFZSM-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59320;MM59320;C#CCC(C#C)NC;QEYDIQOGGHWNOS-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59321;MM59321;CN=C(OC)N(C)C;OIBNPFSWDGUGEA-UHFFFAOYSA-N;116.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59322;MM59322;C=C(OC(C)=O)C(C)N;WZPQCEHRBSSYFA-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59323;MM59323;CN(O)C(=N)C=CCCF;WKHVHXVYMKPUMI-UHFFFAOYSA-N;146.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59324;MM59324;CCC(F)CC(=N)NO;LFDKMHPEZOCFQO-UHFFFAOYSA-N;134.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59325;MM59325;CNNC(=N)NCC#N;NBAVSTCLTXHQNX-UHFFFAOYSA-N;127.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59326;MM59326;CCC(CF)C(=N)NO;HGKWBPCKFJZPPV-UHFFFAOYSA-N;134.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59327;MM59327;C=C(C#CC#N)CNC;NATQEWQYEOEVFF-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59328;MM59328;C#CC#CC(=N)NC=C;XQGSECLCRRQAEH-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59329;MM59329;CC(C)(OCCO)C(=O)O;GPAXKIUFGLSQSB-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59330;MM59330;COCOC(C)(C)C(N)=O;FJQCGAHDCSBCRH-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59331;MM59331;CC(C#CCN)C=CF;NLMGBVDUMRCUMZ-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59332;MM59332;C=C(C)CCNN=CCO;ZRLAMAGZZMEUDG-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59333;MM59333;C=C(C)C(C)(O)CCC=O;XGUGETDCVNBTDI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59334;MM59334;C=CCCC(C)(O)C(C)=O;WGRLBQZCFMEYFJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59335;MM59335;CC(=O)C(C)(O)CCC#N;WPLRTCAZNLIIHK-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59336;MM59336;C=CC(CN)=C(C=C)CO;SGVSLKHKPIFMOD-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59337;MM59337;C=CCCC(C)(O)C(N)=O;MPPCYBRWOSMOMP-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59338;MM59338;C=C(F)C(C)C#CCN;GABMSBAWLDGNQP-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59339;MM59339;CC=NNC(CO)COC;XOHJLOJVMXEDNI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59340;MM59340;C=C(C)C(C)(O)CNC=O;POAKGSKXSHAMEN-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59341;MM59341;C=C(CO)C(CN)=C(C)C;IQTTTYAIYPISNA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59342;MM59342;C=NNCC(C)(C)C(=O)O;XOOXKIFZJVFZIY-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59343;MM59343;C#CCC#CC(=N)NN;DNFGOISOTKZMCV-UHFFFAOYSA-N;121.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59344;MM59344;C=C(CNC)C(=O)OC;KWLTXWNRYPGADF-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59345;MM59345;C=C(C)C(CN)=C(C)CO;RQGREVNRQZZSIP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59346;MM59346;C=CC(N)C(N)C#CC;QWNKUPYXXSBXFK-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59347;MM59347;C=COCC(C)(C)C(N)=O;MOFNCNKHBNJXSE-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59348;MM59348;C=COCC(C)(O)C(C)=O;VWDPPIBYVGCCMR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59349;MM59349;C=COCC(C)(O)C(N)=O;YZGPKBFTYQFRCH-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59350;MM59350;C=COCC(C)(F)C(N)=O;KEDCKRLZUWNTRD-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59351;MM59351;CNC(=O)CNCC#N;XCVSEJRJXBAUTD-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59352;MM59352;C=CC(C=C)N(N)C=N;WTHHVPYYXLKWJK-UHFFFAOYSA-N;125.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59353;MM59353;COCC(=CC=NN)CO;NOMNURLRUJZUDW-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59354;MM59354;C=C(CN)CO;MHFOBWZCLWZTOI-UHFFFAOYSA-N;87.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59355;MM59355;CNN=CCC(CO)CO;LNFGQEBYJAJDDL-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59356;MM59356;C=CN(C=N)C(C)C#N;WAZBIRNDQILYGH-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59357;MM59357;NC=CC=NOCCN;PHBQGNPWGCYBJW-UHFFFAOYSA-N;129.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59358;MM59358;C=NOC(C)(C)ONC=N;UFLAPHSKURTIAO-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59359;MM59359;CC(C)(OCC#N)C(N)=O;RSQQEMVCQAVQKH-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16429;MM16429;CC(C)(OCC=O)C(=O)O;DDAPVOCRVQKQJY-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59360;MM59360;C#CC(=NC)N(C)CCO;REDOAUBHSNKBEU-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16460;MM16460;C#CCCC(C)(O)C(=O)O;KGGUCDJKGSPGMW-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59361;MM59361;C#CC(N)(C#CC)C(C)N;ZSFVQYJUZBABCV-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59362;MM59362;C#CCOC(C)(C)C(N)=O;WVYDIVSBCDNSOD-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59363;MM59363;CC(C)C(C)(O)CC=NO;XKHBEJHGODMPJW-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59364;MM59364;C=C(OC(=O)OC)C(C)N;PIZQYPVFWXJRNY-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59365;MM59365;CN(C)C=NN(C)C(N)=O;BGSIKNPQBGYPNF-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59366;MM59366;CCN(C)CCO;UWKDZWSATBBGBN-UHFFFAOYSA-N;103.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59367;MM59367;C=CC(=C)C(=CCO)CN;QZJLPXJWDYKYKJ-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59368;MM59368;CC(O)(CC=CF)C(N)=O;WFZIMKISOSHWBT-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16437;MM16437;CC(O)(CC=CF)C(=O)O;QRSVWZJILHIZDR-UHFFFAOYSA-N;148.13;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59369;MM59369;CC(=O)C(C)(C)CC=NO;IVOJEPGOZLJGDH-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59370;MM59370;C=NNC(=NC(C)C)NN;KZBJGFFGOMQNKP-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59371;MM59371;CC(C)(CC=NO)C(N)=O;ZXUNOCJMTIICAK-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59372;MM59372;CC(C)(CC=NN)C(=O)O;AFNVXKXXLZODNJ-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59373;MM59373;CC(C)(CC=NO)C(=O)O;WGCXZBWXFXIRPA-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59374;MM59374;CC(=O)C(C)(O)CC=NO;YMIDOVCENVPHGG-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59375;MM59375;CC(=O)C(C)(F)CC=NO;GATKFAZSHOJRON-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59376;MM59376;C#CCC(N)C(=C)CCO;PQFYYGZGCUNGCH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59377;MM59377;C#CC(=O)OC(=C)C(C)N;WSTSLVGOABJLSP-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59378;MM59378;CC#CCC(C)(O)C(C)O;KDTXYXZECWKZEW-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59379;MM59379;C=C(F)C(C)(O)CC#CC;HRQIFLTXLKVWSH-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59380;MM59380;C=C(OC(C)=O)N(C)C=N;ZGFHETXUJUGXKX-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59381;MM59381;CC(O)C(C)(O)C=CCO;KCOIKCNSZKRICQ-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59382;MM59382;CC(F)C(C)(O)C=CCO;UOBHDPIDYZDTKO-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59383;MM59383;COC=CC(C)(O)C(C)O;UAQZIFABFLMJRB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59384;MM59384;C=COC(=O)CC#CCN;OJIRETZRKHTCLU-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59385;MM59385;C=CCN(CC=O)N=CC;DOYJLOMNCHBAFA-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59386;MM59386;CNN=CC(C)(O)C(F)F;AQIDGHOKZQORLJ-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59387;MM59387;C=NOC(=O)CC#CCN;VOTGWUHEZOWAER-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59388;MM59388;N=CNC(=N)NN=CCN;PZUKQFOGWJTNKF-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59389;MM59389;CCC=NNC(=N)NC=N;WDPSPCNUVUDAIG-UHFFFAOYSA-N;141.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59390;MM59390;C=COC(=O)C(=C)CNC;OIVJGTLYJKZMAJ-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59391;MM59391;CC(O)C(C)(O)C=CC=O;QGXBHKCBDUFWEZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59392;MM59392;CC(O)C(C)(O)C=CC#N;VSSCABRJDLUVIH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59393;MM59393;C=NN=CC(C)(O)C(C)O;AJDADLWPNRZZCB-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59394;MM59394;CC(C)(C=CCO)C(N)=O;QSHLVCIEQPOKGU-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59395;MM59395;CN(C=N)C(=N)CC=O;QMUQWNGDPCCFIF-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59396;MM59396;C=NOC(=O)C(=C)CNC;JKSITYLDRRNBQI-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59397;MM59397;COC=CC(C)(O)C(C)=O;JLYCDGSLFGLBIZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59398;MM59398;C=CC=NNC(=N)NNC;VYTZAXBOYUSSKR-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16436;MM16436;COC=CC(C)(O)C(=O)O;KKDDNDKVTCCNRS-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59399;MM59399;C=CN(C=N)C(=NN)NN;PHUMQLJRCZEROK-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59400;MM59400;C=CCNCC(F)C(C)N;DVPXHDWYSPWEIV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59401;MM59401;CNCC(=CF)CCC=O;XZWJJIWSCCFUFN-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59402;MM59402;CONC(=NN)N(C)C;NZCUFXZOCUIWHO-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59403;MM59403;CCNCC=C(F)C(=N)N;WXJXSYRQRQSUQS-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59404;MM59404;C=NOC(CC)CC(N)=O;PUMVDCUCGGYQNZ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59405;MM59405;C#CC(C(=N)NN)=C(C)N;HXNMWEGURIGQJQ-UHFFFAOYSA-N;138.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59406;MM59406;CC(C#N)ON(C)C(=N)N;TVWUDLNZEYUYHF-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59407;MM59407;CC(N)C(C)NN=CCF;PLTJVHFYTMXZDL-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59408;MM59408;C=CCC(CN)OC=NO;UIRGDIDFBSKNIK-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59409;MM59409;COCCC(F)(CN)CF;WJQSSVRZJWKTTP-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59410;MM59410;CN(C=N)C(=O)NC(=N)N;NDJJOOUZOLPIHX-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59411;MM59411;C#CC(N)(C#CCN)CC;COBMNUPQMPEXLN-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59412;MM59412;C#CC(=C)C(=N)N(C)C=N;ZWPFKTSTBGJKGJ-UHFFFAOYSA-N;135.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59413;MM59413;C=C(CNN=CC)C(N)=O;KHFYIUULKIVMSJ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59414;MM59414;C=CC=CC(C)(O)C(N)=O;FLZKNAYOAABRMQ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59415;MM59415;C=C(C=NO)C(C)NC;FHVJSONAVSEKLW-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59416;MM59416;C#CC=CC(N)C(N)C#C;GFROFPZYPPNTTK-UHFFFAOYSA-N;134.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59417;MM59417;C=NN=CC(C)(F)C(N)=O;PBGBFAFBYXHTLC-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59418;MM59418;C#CC(=N)N(C)C=COC;OGSNJHCGCLZGCZ-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59419;MM59419;CC(O)C(C)(C)C#CCO;CJBMQJHZOVHVRQ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59420;MM59420;C=CC(F)C(N)C#CCN;WNJCKYMZRZTYSK-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59421;MM59421;C=CC(N)C=CC=NO;WVSGTTWHDQGNFR-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59422;MM59422;C=CC(N)C(F)C#CCN;VTYXSARJZKPSSH-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59423;MM59423;CC=NNCC=CC(N)=O;PKLJUDXJOPZRPN-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59424;MM59424;CC(O)C(C)(O)C#CCF;TYQUEGZHXTUJSG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59425;MM59425;CC(O)(C#CCO)C(F)F;QIHOMOKWKAXCTH-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59426;MM59426;C#CC(N)CCNN=CC;QIIWHCOLSYZGMZ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59427;MM59427;CN=C(NC)NC=O;RDGROWFVOAVRHS-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59428;MM59428;C#CC(=NC)NCC=NN;LMLCIQZNGFCASL-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59429;MM59429;N#CCC#CC#CC(=N)N;YKWMJRIQVBZVNR-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59430;MM59430;C=CC#CC(O)C(C)NC;INVDKGDDTJXOCC-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59431;MM59431;C=CC#CC(C)(O)C(C)O;NBIWYODWIFQADB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59432;MM59432;CC(O)C(C)(O)C#CC=O;LMITXUQJEWWUHT-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59433;MM59433;C=C(C=NN)C(=NC)NN;IGQLGNSDOCAVMV-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59434;MM59434;C#CC(O)C(=C)C(=C)CN;FXUCJYXIVKROQJ-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59435;MM59435;CNN=CC(C)C(C)=O;VWZHHPXSRCOVHJ-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59436;MM59436;C#CC#CC(C)(O)C(C)O;URMPOUMKGSXQMM-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59437;MM59437;CC(C)(C#CCO)C(N)=O;BFRSXPGIHTZEIV-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"5-hydroxy-2,2-dimethylpent-3-ynoic Acid";MM03595;CC(C)(C#CCO)C(=O)O;TYQRTZUFXDHQGY-UHFFFAOYSA-N;142.15;0.09;55302733;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59438;MM59438;C#CC(C)(N)C=C;GYXALIXMTQXHRS-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59439;MM59439;C=CC(N)C=CC#CCO;KDQCYMSNKJDJLT-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59440;MM59440;C#CCC(N)C#C;JGFJUMWCBJVGMY-UHFFFAOYSA-N;93.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59441;MM59441;C=CCC#CCN;JMQDXWPBGMOTLR-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59442;MM59442;C=CC(N)C(O)C(C)C;CWXQULCHSNDYTC-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59443;MM59443;N=C(N)N(O)CC#CC=O;WDKUBVAIMCTAGY-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59444;MM59444;C=CCC(O)C(N)C=C;OMUGQMPZMCZJDC-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59445;MM59445;CC(=O)C(C)(O)C#CCO;FFWQWMKDTSFWDG-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59446;MM59446;C=CC(=CC(O)C=C)CN;CJIIRUADTCYSKL-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59447;MM59447;C=C(CN)C(=C)C(C)(C)O;MGLWWHAHHANEFA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59448;MM59448;C=C(F)C(C)(O)C#CCO;SWOUGKBVXZLBNY-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59449;MM59449;CC(=O)C(C)(F)C#CCO;LOJYAAQCVXUXLF-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59450;MM59450;C=CC(C)(N)C(C)F;CWLGSLUXVNFPLJ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16328;MM16328;CC(F)(C#CCF)C(=O)O;ZPHGBWKZAMHHAR-UHFFFAOYSA-N;148.11;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59451;MM59451;C#CC(C)C(N)CF;UUKMZBAIADVDMH-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59452;MM59452;CC(C#CCN)CF;OTKFSBAYJVNOHN-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59453;MM59453;C=CC(N)(CF)CCC;YOSQLOXMKMKVJC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59454;MM59454;C#CC(N)(C#C)C(C)N;JCFCQPDDPZUEPP-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59455;MM59455;C=COCC(C)(CO)NC;NHHSZAMHMPACDM-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59456;MM59456;CC(=O)C(C)(O)C#CC#N;GDIAAQLFLRDVRK-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59457;MM59457;C=NNC=NNCC=NN;OSIHYZMTODCYKT-UHFFFAOYSA-N;142.17;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59458;MM59458;CC(O)(C#CC#N)C(N)=O;BQQLFQFJTCUAHP-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16358;MM16358;C=CC#CC(C)(O)C(=O)O;YRYUXTRRHLSGSG-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59459;MM59459;CC(O)(C#CC=O)C(=O)O;HFBGUZVBEITPBQ-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59460;MM59460;CC(O)(C#CC#N)C(=O)O;XZPIVNVVIKPNDI-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59461;MM59461;CC(F)(C#CC=O)C(N)=O;AJHAFMPJWUYNLU-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16253;MM16253;CC(F)(C#CC=O)C(=O)O;WCVACPVYPOMBPW-UHFFFAOYSA-N;144.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59462;MM59462;C#CC(=C)NC(=N)C#C;NPDSKBAFLBXSTN-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59463;MM59463;CC(F)C(C)C#CCN;DYODREHSNNOSLP-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59464;MM59464;C=CC(C)(CO)NC;MXSHKDBSESVCNJ-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59465;MM59465;C#CC#CC(C)(O)C(N)=O;LSYZLWTZUWXHJQ-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16267;MM16267;C#CC#CC(C)(O)C(=O)O;RYYXRFWDACFQQW-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59466;MM59466;CC(F)C(N)C#CCN;FCMUEFPHSJQGRK-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59467;MM59467;C#CC(=N)N(N)C=CC;RHOMCJUTGDCNNK-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15498;MM15498;C#CC#CC(F)(F)C(N)=O;ZFMXUHDMUZYDTJ-UHFFFAOYSA-N;143.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59468;MM59468;C=NOC(=NNC)NCC;XHECMFQFGXTQOE-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59469;MM59469;C=CCC(CN)ON=C;KLXLOXXYGSXTIQ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59470;MM59470;C=NNCCOC=NN;VFCJOELHQBCDRJ-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59471;MM59471;CC(O)COCOC(C)C;GYSUSRDRPMWINL-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59472;MM59472;C#CC(=CC=O)CNC;UDKMYSQGTJZKMS-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59473;MM59473;C=CC(OC)ONC=N;GAJIGCYMHABZLA-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59474;MM59474;C#CC(=C)NC(=N)C(C)=O;NUSJBUDAQMDKKJ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59475;MM59475;C=CC=CN(C=N)C=N;LASIKZVELWIBIO-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59476;MM59476;CNN=CCC#CCN;KYLLPHKJBFSQSF-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59477;MM59477;C=C(CN)C(=CF)C(C)O;HHLOFWAOAGNCNC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59478;MM59478;CC(=O)CCOCC(C)O;BHKLGUHSZZDBGY-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59479;MM59479;CC(C)=CC(N)C(C)O;RZRINLHWSOTNGB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59480;MM59480;CC(=O)NCCCC(C)O;ATRYNQWDQMKMLH-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59481;MM59481;CON=CCC#CCN;GIKNPRPPESLELH-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59482;MM59482;C=NOC(C)(CN)COC;MOOKWBGVENKTDA-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59483;MM59483;CCOC(C)=CN(N)C=N;CZZFLWRGHRXINV-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59484;MM59484;C=CC=CC(N)C(C)O;QMTPPBGULYPOLN-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59485;MM59485;CC(F)CNCC#CCN;VIDAYUKMNPDLNY-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59486;MM59486;C=C(C)C=CC(N)C(C)O;UOQQUTBMNIGAPD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59487;MM59487;C=C(F)C=CC(N)C(C)O;HDJQFNDZGOCMOD-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59488;MM59488;CN(C)N=CCC#CCN;YNQPOWZKFFIYIE-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59489;MM59489;C=C(C)CCOCC(N)=O;FVTOUSCPYCIDFD-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59490;MM59490;CNCC#CC(N)=CC=O;LPGIVNOJSQEKIE-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59491;MM59491;CC(C#CCN)COC=O;XNFMETVZYDCQGN-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59492;MM59492;CON=CC(C)C(F)CN;ASOMUVDZQHXFSY-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59493;MM59493;C=C(C)COCOC(N)=O;JFJIIHKDJSGXBH-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59494;MM59494;C#CC(N)C(N)C=CC=C;VRGORBPGZAHBCD-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59495;MM59495;C=C(CN)C(=C)C(C)O;OPAJCRFEXNSVGV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59496;MM59496;C#CC(=N)N(C=C)NCC;VGBPMDXCTXUZQE-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59497;MM59497;C=CC(CN)=C(C)C(C)O;PDTMFTMKNWOJOW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59498;MM59498;C#CC(CNC)=C(C)C=O;ARDPEXWZVCFLAH-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59499;MM59499;C=NOC(CN)CC=CF;LPOMEFMYLCNHEE-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59500;MM59500;C=C(C)C(OC)ONC=N;OREJPNAMOKULRO-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59501;MM59501;C#CCNC(=N)C(=O)CC;WSOOKRSCMJIIJI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59502;MM59502;CC(=CC(=N)NO)CF;DORBMTWECNAMKB-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59503;MM59503;CC(=O)NC=NNC(C)C;MAARVKFYSISTPK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59504;MM59504;CC(C)NN=CNC(N)=O;NQIRUDUMLPQLNB-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59505;MM59505;CC(=NO)NC=CC#N;FLQSKGSSVGXTRQ-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59506;MM59506;C=CC1(CO)CC1N;PRNWMIMYXIQOHA-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59507;MM59507;C=CC(C=COC=O)NC;LYRQSHUQIGZSBZ-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59508;MM59508;C=CCC(=C)N(C=N)C=N;DUOUFDVYXMRJMJ-UHFFFAOYSA-N;137.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59509;MM59509;NCC#CCC=NOC=O;AUTYVIZIYVLFGW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59510;MM59510;CN(C(N)=O)C(=O)NC=N;IEKDYJBOMCYTLQ-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59511;MM59511;CC1(N)CC1F;POXPZZKUMFCRIP-UHFFFAOYSA-N;89.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59512;MM59512;CC(C)C#CCN;NBKPPZKKIPAAFR-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59513;MM59513;CC=CC(=N)NC(C)=O;ARWXPGHJHASGDT-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59514;MM59514;CC(C)=C(C)C(N)CO;XAWZZLZRWHQSRS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59515;MM59515;C=CCC(=C)C(N)CO;PVIKYJSJDFTJBA-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59516;MM59516;CC(C)N(C=NN)C=NO;JCRHBUSSLFTZBX-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59517;MM59517;COCC(C)(F)CN;ISEKIPXDTNWDPZ-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59518;MM59518;C=CC=C(C)C(N)CO;MIXBOPUUSPMYRM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59519;MM59519;C=C(F)CC(F)CN;QHJHKMXIVJEGNU-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59520;MM59520;CC#CC(=N)N(C)N;BGKUFIXBFIPQHF-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59521;MM59521;C#CC#CCC(CO)NC;UDNAOWHCMOHLIX-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59522;MM59522;C#CC=NN=C(NO)NO;PZCUSFQPDCIKOO-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59523;MM59523;CC(CF)C(F)CN;IAWTVIZGUUCNFH-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59524;MM59524;C=CC(C)C(F)CN;GNFMHVMLLAZBDM-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59525;MM59525;N#CC(N)=CC=NNC=O;RGXVOLOKSRNNGO-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59526;MM59526;CC(=O)CC#CCC(N)=O;FQBBRUGYVUMOJZ-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59527;MM59527;CC(O)C=COCC(C)O;PELVETYFECKRCQ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59528;MM59528;COCCC#CCN;XVBGTAJSSWOXRG-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59529;MM59529;CC(CO)N(C)C;PBKGYWLWIJLDGZ-UHFFFAOYSA-N;103.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59530;MM59530;NCC#CC#CCN;AIYPMVLGZIAKRM-UHFFFAOYSA-N;108.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59531;MM59531;CC(C)CNN=CC(=O)O;NVVDXBZFVIALHB-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59532;MM59532;C=NOCC(C)(F)CN;OBBZURUAYSOWBS-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59533;MM59533;C=NNCC(C)(O)C#CC;KZOLFNHCYJDSPJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59534;MM59534;C=CC(=CC(C)O)CN;CZLQFNROIQBGCX-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59535;MM59535;COC(C)(C)ONC=N;BNVQTCHXIHHIQB-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59536;MM59536;C=C(CC(F)CN)OC;DPNRJZDPPYJUFR-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59537;MM59537;C=C(C)CNC=CC(C)=O;RTTWCKHFLOLDNY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59538;MM59538;CC(=O)C=COCC(C)=O;TYAOEHMUHHGHQH-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59539;MM59539;CNN=CCC(F)CN;LQIFKEFMKMCGFL-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59540;MM59540;C=NNC(C)CC#CCO;OYWFYJFGIOGAHJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59541;MM59541;C#CC(=C)N=CNC=N;QDMCPVCPPGOVHA-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59542;MM59542;CC(C=CF)C(F)CN;ZDLSZOBJPGTHSE-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59543;MM59543;CC(O)C=C(C=CF)CN;NKGDGJHHTYDASW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16540;MM16540;CC(O)C#CCCC(=O)O;USXXLUYZQJSQQW-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59544;MM59544;C#CC(N)C(N)C=CC;SMKUVTCGAXTNSQ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-methylpent-2-ynyl Carbamate";MM01822;CC(C)C#CCOC(N)=O;ASRVRJSGDKAXCF-UHFFFAOYSA-N;141.17;0.74;129068161;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16424;MM16424;CC(=O)C#CCCC(=O)O;JNYHVNCDYUWPJY-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59545;MM59545;CC(=O)C#CCNC(C)=O;VXVHQXKGTNNDRF-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59546;MM59546;C=C(C)C#CCNC(N)=O;QMHUDYAMEHNHDN-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59547;MM59547;C=C(C)OCC#CC(N)=O;LUCZEYMNYQXTOA-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59548;MM59548;CCC(CNC)=C(F)F;CSPKJRJEUJQLEU-UHFFFAOYSA-N;135.16;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59549;MM59549;CC(O)C=NN=CC(C)O;JAMODJOJMRBMPF-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59550;MM59550;NCC#CCCOC=O;UVCAAZSBWFVJAG-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59551;MM59551;C=COC(C)(C)ONC=N;AFFWUUWJTGKXRK-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59552;MM59552;C#CC(C#N)(NC)C(C)O;QODCHMMEUPHDOJ-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59553;MM59553;C=C(C)C(F)(CN)CCF;BHRLAXHVYNFYBF-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59554;MM59554;CC(C#N)=CCNC(C)C;OGTSLENRDHDQDD-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59555;MM59555;C=C(C=O)CC(F)CNC;IRTGRUPMENSWMZ-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59556;MM59556;C=CNC(=N)OC(C)C#N;NGIOCKNJTMVELA-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59557;MM59557;C=C(C)C(=CC(C)O)CN;IYQWNMUIFHUKTF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59558;MM59558;C=NOC(CN)CC(C)F;MVEJFZFMJJOLDE-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59559;MM59559;C=NNC(C)CC#CCN;JOOSBNOARIXSKE-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59560;MM59560;C#CC(=NCCO)N(C)C;RWELUYCKYJROFA-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59561;MM59561;CC(O)C#CC=CC(C)O;YOFPSYWATBRNCL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59562;MM59562;CNN=CCC(=O)N(C)N;AIGQCIKCEFREHV-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59563;MM59563;CC(CC#CCN)OC=O;KMEQESOIGJRVKH-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59564;MM59564;C=CNC(=O)N(C=N)NC;NSAIEPGJWSKOTN-UHFFFAOYSA-N;142.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59565;MM59565;N=C(CF)N(O)C=CC=O;SJYQURLFPFHNSA-UHFFFAOYSA-N;146.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59566;MM59566;C=C(C)C(CO)=NNCC;PAGHZBQGWNJSQE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59567;MM59567;C#CC(C)C(O)CC=NN;UUJKPOXNAPZITF-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59568;MM59568;C=CC(=NC)N(N)C(C)=N;CPHRIYVSSLRLRU-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59569;MM59569;C=CC(=CCO)CN;SSYFVGAGINICDM-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59570;MM59570;CC(F)=CC(=CCO)CN;FAZQQVXLZMQPNW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59571;MM59571;C=CC=CC(=CCO)CN;XWRAGWWODDIIMN-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59572;MM59572;CC(=O)C#CC#CC(N)=O;HHEKMLXYIAXUJG-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59573;MM59573;COC=C(C=NN)NC=N;ULXUGXDZGSQAKT-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59574;MM59574;NC(=O)C#CC#CC(N)=O;VDRNXRGWPDECQT-UHFFFAOYSA-N;136.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Hexa-2,4-diynedioic Acid";MM03117;O=C(O)C#CC#CC(=O)O;USZXDNVMPDEEBP-UHFFFAOYSA-N;138.08;-0.84;15877512;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59575;MM59575;COCC(NC=N)=C(C)F;RDXZRKXFAFGHCK-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59576;MM59576;C=CN(C=O)NC(C)=NC;TWPKLVZBFCSBSY-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59577;MM59577;C#CCNC(C)CC=NN;RAONZUFMFGKKNH-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59578;MM59578;C#CC=CC(N)COC=O;LFTQNWGLJGRJMB-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59579;MM59579;C=CC=NNC(CO)CO;VRAUISAIPZCZEC-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59580;MM59580;CC(C)=CCOCC(N)=O;RMXCNTRBXWFAAW-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59581;MM59581;C=CC(=N)N(C)C=NC=O;YQDLQPSCWNQMBI-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59582;MM59582;C#CC(=C)CCNCCF;JJXXMXQWVTXLTO-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59583;MM59583;CN(O)C(C=CF)=NC=N;PDYSACZPAIIKTG-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59584;MM59584;N=C(NO)C(F)=CF;NNWRVFVJWXOQJD-UHFFFAOYSA-N;122.07;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59585;MM59585;CCN=CNCC(=O)OC;VQEVOFFPQFFLLZ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59586;MM59586;C=NN(C)CCC#CCN;DXSZCMZGZZGYTQ-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59587;MM59587;CC(C)(C)NN=CCO;GYCZXSLMIXIVTC-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59588;MM59588;CC=NNCC(=O)NC;KOQNOLZPJRLBDY-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59589;MM59589;C#CC=CC(=CCO)CN;XRPUBHUPFKRUBK-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59590;MM59590;CC(=O)NC=NN=C(C)C;ZAFSEPQFTQFBRP-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59591;MM59591;C=NOC(CN)CCCF;ICPHIORLLWEPGQ-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59592;MM59592;C=CCCC(CN)ON=C;BLENCKZSYBIUJK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59593;MM59593;CC=NOC(CN)CCF;WZZUEPUAXLNOLT-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59594;MM59594;C#CCN=C(COC)NC;ZTJCYEGXDKADGQ-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59595;MM59595;CCNC(=N)NN=COC;QJGIRGOFPIOCCQ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59596;MM59596;CC(C)=NNC=CC(=O)O;RUJODKQQVPRGRA-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59597;MM59597;CN=C(C=CC#N)NC=N;IUTPHIQCJGSMOF-UHFFFAOYSA-N;136.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59598;MM59598;COCOCCC#CCN;CDTONYCFPBCQHL-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59599;MM59599;CON=CC=CN=CNN;VTUYDNOWRURYNS-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59600;MM59600;CCC#CCN;CQOYFACEVXRLJG-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59601;MM59601;NCC(F)CCF;RRMGSRUVCYCEPU-UHFFFAOYSA-N;109.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59602;MM59602;CC(O)CC(F)CCCO;DCHRAGXVMTZNPT-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59603;MM59603;C=CCC(F)CN;SPWJOECMYIPTRG-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59604;MM59604;CC(C)C(F)CN;RXAAJAPKRALSSH-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59605;MM59605;CCCC#CCN;JTKUOSPCAWBHBM-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59606;MM59606;C=C(C)C(C)(F)CN;NYCWQANTNSNXBY-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59607;MM59607;CC(F)CC(F)CN;NFVSLPJSAKAKLQ-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59608;MM59608;C=NNC(=N)N(C)C=N;PQAPSPOPJWDHBD-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59609;MM59609;C=NNC(=N)NC=N;LVQSQZKYKGHUGE-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59610;MM59610;COCOC(C)CC(C)O;SLBWEEDVUJXMTR-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59611;MM59611;C=C(C)CC(F)CN;ZFSCPBVZDPZNHY-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59612;MM59612;CNN=CC=CC(=O)NC;UBRLAYZWLNAGDG-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59613;MM59613;NCC(F)CC=CF;GYHGMFHXWIVAOI-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59614;MM59614;CNN=CCCNC=O;DHWGDWPTNSIKKE-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59615;MM59615;CC=NN(C)C(C)C(N)=O;JDDRGWCCPOXVPR-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59616;MM59616;CC=NN(CC)CC(N)=O;OZKKCJUKMKNTJE-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59617;MM59617;CC=NOC(C)CN;OVSUNAKWJBASIP-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59618;MM59618;C=CC(C)=NNCC=O;IBWFYXGUFCXSAP-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59619;MM59619;C=C(C#N)C(C=O)N(C)C;CTLFNWFLRWQEKO-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59620;MM59620;C#CCC(=NC)NN;ZHTKWZHQKOXDQY-UHFFFAOYSA-N;111.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59621;MM59621;C=CC(F)CC(F)CN;ZUHXAJQDCOAYMY-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59622;MM59622;CC(=CF)CC(F)CN;GBAYBAUETNIZRH-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59623;MM59623;CC=NNC(=N)NC=N;ZRGYXJHASIEAMF-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59624;MM59624;CCNN(C)C(=O)CF;RRGYNEHEZPQYNI-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59625;MM59625;C=COCC(O)CC(C)O;PALSGQPXNJQKCY-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59626;MM59626;CC(O)CC(F)COC=O;LDSYUZBSLBKCAT-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59627;MM59627;CCC(C#N)NCC(C)=O;LSRHYXFZQTUXDG-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59628;MM59628;CC(C)=CCC(F)CN;RXFMJWPWWWQSKF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59629;MM59629;C=NNC=NNCC;KIUMVBAPSZBQMH-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59630;MM59630;C=NN(C)C=NNCCC;SAEJTPPLMHGKOS-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59631;MM59631;C=NOC(=N)NC(C)=NN;IXBGLIIHWCOGLN-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59632;MM59632;CCC(NCC#N)C(C)=O;GOVJLOLHERUGBL-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59633;MM59633;C=NOC(C)ONC=N;MHPVHKJAXFGPSB-UHFFFAOYSA-N;131.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59634;MM59634;C=C(CNC)OCOC;ZCLFWKAJGXCNAM-UHFFFAOYSA-N;131.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59635;MM59635;C=C(CNC)OCC#N;YYFZXFJNRRBBBW-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59636;MM59636;CC=NNCC(=O)C=CN;UCBNUKUXFDYTCV-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59637;MM59637;CCC(F)CN=C(N)C=O;BIQWOTUHOFHSGO-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59638;MM59638;C#CCNC(=N)C=CF;QROLDCIGNSWDKF-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59639;MM59639;C#CC(=CN=NC)NN;CUXUGZKZICEVFA-UHFFFAOYSA-N;124.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59640;MM59640;CC(=O)CC(O)CCCF;BFBSKMBJEBHBQR-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59641;MM59641;CC(=O)CC(F)CCCO;ZKXUXSZIOOYUEQ-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59642;MM59642;C#CC=CC(=N)NOC;ZNGKCKDIYNVJRQ-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59643;MM59643;CC(=CCF)N=CNN;LOERVAXTIPDRJX-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59644;MM59644;C=COCCC(F)CN;UXNYCYGYBRCCBR-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59645;MM59645;C#CC(=CN=NCC)NN;PSHKSOHWEWAEHT-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59646;MM59646;CC(CCF)C(F)CN;KZYXYUWKEGIWBV-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59647;MM59647;C=CCC(C)C(F)CN;ATZRDHIVFHDBMM-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59648;MM59648;C=C(OC=O)N(C)C=N;VIPGTQQIBZIWAR-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59649;MM59649;C=CC(=O)C(=C)NC=N;YPYMPSJPCVOBCL-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59650;MM59650;C=CC#CCNN=C;OIESRECDMBNOLJ-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59651;MM59651;N#CC(C=CF)NC=N;DBSQBGPYHOFXJN-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59652;MM59652;CNCC(=CCF)OC;NVTINOFBCMEAET-UHFFFAOYSA-N;133.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59653;MM59653;C=CC(OC(=N)N)C(C)=O;XDCVBDQOXZCQPO-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59654;MM59654;C=C(C)C(C#N)NC=N;DGSURFVCZJFLFZ-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59655;MM59655;N#CC(=N)NN=CC(=N)N;KCHIBIMZOKILIH-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59656;MM59656;CC(=O)CC(C)OCCO;NXLKBQUVIFSLOU-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59657;MM59657;C#CCNCC#CCN;NMXLOOZBSOUUQW-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59658;MM59658;CN(C)N=CCCC=NO;XVMOACYQPNTISG-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59659;MM59659;CC(=O)NC(C)CCCO;VLWXMNVCPNNHQG-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59660;MM59660;CC(=O)NC(C)CCCF;NCPSMFHPLPRWSP-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59661;MM59661;C=NN=CC#CCNC;XAQMFBPUEPWWME-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59662;MM59662;CCC(C)(F)CC(F)CN;QTIMHCALSWVAPU-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59663;MM59663;CNCC(C)(F)COC=O;FRZDODHIIZUFAA-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59664;MM59664;CNN=CCC(=N)NC=O;SLWJNLZXLVLLFN-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59665;MM59665;C=CCC(N)(CF)C(=C)C;QMKOPJVLJZFTHA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59666;MM59666;CC(F)=C(C)NC(=N)CN;SFSXXBNGIQZXRO-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59667;MM59667;CN=C(NN)NN=C(C)C;MLTIZTFQYDFCKX-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59668;MM59668;CC(C)C=NOC(C)CN;ZCXWRDAJLZBJBZ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59669;MM59669;CCC(C)NNC(N)=O;CRDALZOVGVQTDW-UHFFFAOYSA-N;131.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59670;MM59670;N=C(N)C#CC#CCC=O;YOAZZADBHCFAOG-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59671;MM59671;C=C(CCF)CC(F)CN;ULFYOWJTIFVPNH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59672;MM59672;CC(CC(=O)O)OCC#N;JBLZLTDUYVGALD-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59673;MM59673;CC(CC(=O)O)ON=CN;JGPDBRPWXVKAAC-UHFFFAOYSA-N;146.15;-0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59674;MM59674;CNCC(=N)NC(C)C#N;BSTCYSBZKDQVEH-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59675;MM59675;C=CC(=O)OC(=C)NC=N;QVNGJRVWBHPFEZ-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59676;MM59676;CC(CCC#N)OC(N)=O;VFEVUYNANCLQKX-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59677;MM59677;C=C(C)CN(C=N)CC#N;AWDXYFINEWHXLQ-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59678;MM59678;CC(=O)OC(C)OCC#N;GWKODADWSHLIPY-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59679;MM59679;CC(F)=CC(C#N)NC=N;SKVFDVSXBYDMSL-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59680;MM59680;C=NOC(=N)N(O)C=N;VCRNZKMCQRDCBL-UHFFFAOYSA-N;130.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59681;MM59681;C=COCOC(=C)CNC;HTRDXPVMJVHCLG-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59682;MM59682;C=CCC(=N)N(N)C(C)=N;NKCGFEHLZFTODZ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59683;MM59683;C#CCOC(C)CC(C)=O;NVIGCCSDJOYKMW-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59684;MM59684;C=CC(F)(CN)CCCF;ZLQRLLQURCGQOP-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59685;MM59685;C#CCOC(C)OC(C)=O;FTHJPTSQIYZVCP-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59686;MM59686;CCC(N)(C#CCN)CF;XXSLCSKKHNIFDQ-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59687;MM59687;C=CC(N)(C#CCN)C=C;MOWOFDDBPUPUML-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59688;MM59688;CC(C)(C=NN)C(O)CO;GVCWKIYFVRLXRQ-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59689;MM59689;COC(=N)NCC(C)C#N;HDWAYCRXJFNXED-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59690;MM59690;CNN=CCC(=O)N(C)C;WIHMRANSCVJOGM-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59691;MM59691;CC(CF)=NOC(C)CN;LIHOLNJKAIXSGW-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59692;MM59692;CNCC(C)(OC)C(C)=O;AEIJQQCFQYWHRF-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59693;MM59693;CCOCC(=O)CC(C)O;ZQVBYVDBTUNZBW-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59694;MM59694;CCCNC(=O)CC(C)O;UZOZQBZLGVLWNI-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59695;MM59695;C#CC(C)=NOC(C)CN;PLPBVNZZQYZKBB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59696;MM59696;C=C(CC(C)O)OCCO;ACVGDYQTPGJGLW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59697;MM59697;C#CC(CF)CC(F)CN;NYOHKAPWIKWJLK-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59698;MM59698;CC(C)NC(=O)CCCO;FYQIYOWNTFUISO-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59699;MM59699;C#CC(=C)CC(CF)NC;MTIXMFMTKKNMRK-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59700;MM59700;CNN=CCC(C)(O)CO;OBCZLUKCZBTJJJ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59701;MM59701;COCCC(=O)NC(C)C;OJARLMYTWUZIRE-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59702;MM59702;CC=NOC(C)ONC=N;UUJRHGJZVLAVMZ-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59703;MM59703;CC=NN=C(NC)N(C)C;RCPYIHOIBRUSQN-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59704;MM59704;CC(C)NC(=O)NCCF;DDEYTEOXNVBLKO-UHFFFAOYSA-N;148.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59705;MM59705;CC=NOC(=O)CN=CN;OJMYLVLFAZZSSX-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59706;MM59706;CCC#CC(=N)NNCC;PLZPMOOPGPISHT-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59707;MM59707;COCOC(=O)NC(C)C;QNTNTLOVRDYJGQ-UHFFFAOYSA-N;147.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59708;MM59708;C=C(CNCC)C(=O)C=O;NOXYECNOFNLXCA-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59709;MM59709;CC(C)OC(=O)OCCO;MDIBRZSQPVHYNI-UHFFFAOYSA-N;148.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59710;MM59710;CCN=CN(N)C(=N)CC;PZPMFVMVGRLYPC-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59711;MM59711;C=NN=C(NC)N(C)C;NBUUSXGQXZNRHJ-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59712;MM59712;C=C(CC=O)C(N)=NNC;QBPIXNHAZDMLQC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59713;MM59713;C#CC(=C)C(N)C#CCN;RGXCKFLWZFEGND-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59714;MM59714;C#CC(C)NCCC=NN;ROVSBYSQTCLVII-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59715;MM59715;C#CC(CCCC=O)NC;UVJFBVFHHZXYTC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59716;MM59716;C=COC=NOC(C)CN;VPBVZIBVIFHOLI-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59717;MM59717;C=NOC=NOC(C)CN;DEHMFUWLTWEMLJ-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59718;MM59718;C=CN(N)C(COC)=NC;JPESNDLFLIURJH-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59719;MM59719;C#CC(N)C(=NCC)NC;BZUNCUZEWWCWGM-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59720;MM59720;CNCC(C=O)=C(C)OC;GUGKGVJWZUHRGQ-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59721;MM59721;C=COCC(=O)CC(C)O;WXCRELHMGGPMSC-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59722;MM59722;N#CCONC(=N)N;NCRXABIZFJFGHU-UHFFFAOYSA-N;114.11;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59723;MM59723;CC(C)CC(=O)NCC=O;DTVOKNFCGOCYJZ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59724;MM59724;CC(C)CC(=O)NCC#N;IJLVZJUMKQYMME-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59725;MM59725;CC(F)CC(=O)NCC#N;OPPHFROSVHFUEO-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59726;MM59726;C#CC(CC=NN)NCC;BJHGMBWKSVTWAO-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59727;MM59727;CNCC(=CCOC)OC;QVXCUBJLLFPKHC-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59728;MM59728;C=NN=CC(CN)=C(C)N;JHBQHNQKZMJRCU-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59729;MM59729;CC(CC#N)N(C=N)C=N;CXJFCOFMGMYBCU-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59730;MM59730;C=CCNC(=O)NC(C)C;QWXLRIVSWRSBAZ-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59731;MM59731;CC(C)NC(=O)NCC=O;IFEAFKZQOATROG-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59732;MM59732;CCN(C)C(=NN)NOC;MNAXEODPULWDAZ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59733;MM59733;C=C(C)C(C=O)OC(=N)N;FBAMFFBGYJZJAF-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59734;MM59734;CC(C)NC(=O)OCC#N;BCPWIXSZGFWZND-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59735;MM59735;CNN=C(CN)C(=N)NC;FBHDXUMDXSWZOG-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59736;MM59736;CCNC(C)C(C=O)=CN;ZUVSDBJNKGNCMR-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59737;MM59737;CC(C)OC(=O)NCC=O;UHOBQNWMNRYXLU-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59738;MM59738;CC(C)OC(=O)NCC#N;BDMQVSGNLDEENA-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59739;MM59739;CC(C)OC(=O)OCC#N;ULXANULIFDKHOT-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59740;MM59740;CC(C)OC(=O)ONC=O;RAUAVYIIYBELLG-UHFFFAOYSA-N;147.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59741;MM59741;C=CC(C)NCCC(C)=O;NEJFJAIIYGGMCV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59742;MM59742;C=CNC(=O)CNN=CC;GYIWDIXKTCEFJW-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59743;MM59743;C=CC(=N)NC=NC=NC;HWERVBDUQFBIIM-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59744;MM59744;CC(F)CN;FCZZMLAMPPXMOZ-UHFFFAOYSA-N;77.1;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59745;MM59745;CC#CCN;YLBIBZCIFHPPKA-UHFFFAOYSA-N;69.11;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59746;MM59746;CNN=CC=C(C)NC=O;WAYLANCQVFBGEE-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59747;MM59747;CCC(F)CN;OEKBUSOWCWGWMM-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59748;MM59748;C=CCNC=NOC(N)=O;AEZRETNURCOLCP-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59749;MM59749;CCNCCF;BLMCUQGCOQHGPB-UHFFFAOYSA-N;91.13;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59750;MM59750;C=CC(C)(F)CN;QTLLBDNTBMOPAS-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59751;MM59751;C#CC#CC(F)C(N)CN;QGPMAXNCPBBDKT-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59752;MM59752;CN(C)NC(=O)NCC#N;PROQVVVQDUXMJE-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59753;MM59753;CN(C)NC(=O)OCC#N;GTYFVTRSLKYUJQ-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59754;MM59754;C#CCOC(=O)CC(C)O;NYDPERYAARHIDT-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59755;MM59755;CCCC(F)CN;XJNKJUUPSLHXJS-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Propan-2-yl N-prop-2-ynylcarbamate";MM01816;C#CCNC(=O)OC(C)C;BOFDXNUDDSVXML-UHFFFAOYSA-N;141.17;0.75;57562734;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59756;MM59756;C=C(CNC)OC;BCCYDHGURXFNED-UHFFFAOYSA-N;101.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59757;MM59757;C#CC(C=O)=CNC=NC;GXVOVVBLBFTYIQ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59758;MM59758;C#CCOC(=O)NN(C)C;MAYAGQFYNYCBAS-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59759;MM59759;C=C(CCCO)CC(C)=O;LRNUISSKJPPLHT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59760;MM59760;CC(C)CC(F)CN;AHTSLFMUZQOMLX-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59761;MM59761;C=C(CCCF)CC(N)=O;GRZNAOUXYNCKML-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59762;MM59762;C=C(C)CC(=O)CCCO;FLENFRJDHHRXKZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59763;MM59763;CC(=O)CC(=O)CCCO;PVOGAQUJPPPZRF-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59764;MM59764;C=COCCN(C)C;JWCDUUFOAZFFMX-UHFFFAOYSA-N;115.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59765;MM59765;CCNC(C#N)C#CCO;QKXGGUSXSIHKLV-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59766;MM59766;C=CCN(N)C=NC;YLPJYCRSCIMBPO-UHFFFAOYSA-N;113.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59767;MM59767;COCCC(=O)CC(C)=O;BDJALADWYJQVBJ-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59768;MM59768;NCC(F)CCCF;AAIXKRQGZBKPIR-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59769;MM59769;C=CCCC(F)CN;NCJCXENXOSDZQU-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59770;MM59770;C#CC(C)(N)CN(C)C;IBFVURWQPCPGDL-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59771;MM59771;CCC(O)C=NN;CCKQEBREBMZXTJ-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59772;MM59772;CCCNC(=O)CC(C)=O;VXNINNWMDGTACV-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-oxo-3-(propylamino)propanoic Acid";MM03670;CCCNC(=O)CC(=O)O;DYFITHZWYNIJHK-UHFFFAOYSA-N;145.16;-0.01;62230046;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59773;MM59773;C=CCC(F)(CN)CN;IPMDAKWDIVHTJO-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59774;MM59774;C=CC(=NN(C)C)C(C)O;ZHCZMVFOPWBVBM-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59775;MM59775;C#CC(C)(CN)OC=O;FRMJAGBVVXGRTI-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59776;MM59776;C#CC(CC)(CO)NN=C;QFJWJXXOOBSFFF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59777;MM59777;CCON=C(N)CC(=O)O;GAELQVCHCKJXFI-UHFFFAOYSA-N;146.15;-0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59778;MM59778;C=C(CC(C)=O)OCCO;WSBSUTRDMUJXGZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59779;MM59779;C=C(C)CC(=O)OCCO;HHXMVLGUDMNPPY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59780;MM59780;CCCOC(=O)CC(N)=O;QJZTULVCRBHFKY-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59781;MM59781;C=CC(CO)ON=C;DMGPPSQLYXUXGK-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59782;MM59782;CC(CF)CC(F)CN;SDPGSACQZIZUSE-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59783;MM59783;CCCCC(=O)NC(C)=O;VTOASMNQWRXNMC-UHFFFAOYSA-N;143.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59784;MM59784;CCCCC(=O)NC(N)=O;LJUXMSCJJCTTLC-UHFFFAOYSA-N;144.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59785;MM59785;COC(=O)CCN(C)C;VSFJOMFYABROHQ-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59786;MM59786;N=CNC=NC=C(F)F;SSMGHVFRSURWGK-UHFFFAOYSA-N;133.1;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59787;MM59787;C=C(CNC)OCCF;SGCWPQBHJDICNC-UHFFFAOYSA-N;133.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59788;MM59788;C=NOCC(C)(CO)CO;BOWBZUJHDQVZGJ-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59789;MM59789;C=NOCCC(CO)OC;CDHXSGYLRIWCQR-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59790;MM59790;CCCNC(=O)NC(C)=O;WFZBPHIGQGLNEV-UHFFFAOYSA-N;144.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59791;MM59791;CCCNC(=O)NC(N)=O;FCKJWEBXQFCMPZ-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59792;MM59792;C=NOCCCOCCO;QQTZHPOZPPUMSG-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59793;MM59793;CCONC(=O)NC(C)=O;OCKKTFXCWITSLA-UHFFFAOYSA-N;146.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59794;MM59794;CNC(=N)NN=CC=NO;HJORXMYIFBJXHE-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59795;MM59795;C=CNC(=N)OCC#N;MRPUNPYVVPVHRQ-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59796;MM59796;CCNC(C)C=CC#N;TYGDDAUYNDSWLI-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59797;MM59797;C=C(C)NC(=O)OCOC;SDLMRXBBVVJPGZ-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59798;MM59798;C#CC(=N)NC=COC;YUHCIGDGCNNDFR-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59799;MM59799;CC(=NO)OC(C)(C)CN;FUZQJOLJSUPHKE-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59800;MM59800;C=C(C#CCNC)OC;XYYTXAAXLIKTGC-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59801;MM59801;C#CC(=C)C(=N)NC=N;WSGPIYGUEBZUDR-UHFFFAOYSA-N;121.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59802;MM59802;CCC(C)C(=O)NC(=N)N;SEQITMSVDXWRIX-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59803;MM59803;C=CNC=NN=CC(N)=O;JNKQAKINCFGGQW-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59804;MM59804;CC(C)C(=O)NCC=NN;XQZKDEGTUQIBFA-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59805;MM59805;CCCN=C(NC)NC=O;BCWLVSZIGNGJKR-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59806;MM59806;C=C(CCC#N)CC(N)=O;AXTVOJIHVRIXRH-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59807;MM59807;C=CN(C=N)N(C)C=NO;ZCURGWZREHNAAJ-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59808;MM59808;C=C(CNC=O)CC(C)=O;KNWMQXWNVKPWRY-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59809;MM59809;C#CC(C)(O)C(=N)NC=C;IFJJVYLIOYFHKE-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59810;MM59810;C#CC(O)C(=N)NC=C;MOCMBNFKNIVERC-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59811;MM59811;C=CN(N)C(=N)C=CF;WVNYBPIEOPIXRI-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59812;MM59812;C=COCC(=C)CC(N)=O;KGDUGAGEJAKTNS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59813;MM59813;CN(C=N)NC(=NO)NN;BYKJFEVBUVHQCA-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59814;MM59814;N=CN(C=N)CC=CF;BFSSDCOACOQVKH-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59815;MM59815;CNC(=N)OC(C#N)C#N;CHTZXSZOFBKVDE-UHFFFAOYSA-N;138.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59816;MM59816;CC(=O)CC(=O)NN=CN;SAOHMTQQQRVOSS-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59817;MM59817;C=C(CC(N)=O)OCC#N;QWOBNJADPGGHML-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59818;MM59818;C=C(F)CC(=O)ONC=O;NZXWSYMGHIZPBP-UHFFFAOYSA-N;147.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59819;MM59819;C=C(CCC=O)NC(C)=O;SXFPNKFXVYHZOV-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59820;MM59820;CC(N)C(C)(F)CN(C)C;LYGVZCRXXBOUMS-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59821;MM59821;C=C(CCC#N)NC(N)=O;RMBQWJZLTIAPJJ-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59822;MM59822;CC(N)C#CC(F)(F)CN;QLTWXVULMVFHMK-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59823;MM59823;CC(C)=CC(N)COC=O;YMBKMUZFQGTXKW-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59824;MM59824;CNC(=N)OC(CO)OC;HRSYMMOHGZDEOV-UHFFFAOYSA-N;148.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59825;MM59825;C=C(C)C1(O)CC1N;MUWZKJQTFTXECK-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59826;MM59826;C=CC(N)C(C)(O)C=CF;UFHYNAYSZTZCDQ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59827;MM59827;C#CC(=CCN)C(O)C=C;QSXCJUARTFODAJ-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59828;MM59828;CC=CC(F)(CN)CNC;ONEWONMNKKNXJH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59829;MM59829;C#CC(C)(C=NN)NC=N;VDRMYQQQOMBSKG-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59830;MM59830;C=COCC(=O)NC(C)=O;OKABULDDVSHZLC-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59831;MM59831;C#CCC(O)C(=C)CNC;VCROIPTXFTYMBZ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59832;MM59832;C=C(C)NC(=O)NCC#N;SCPNYTPFMZWSJB-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59833;MM59833;C=CCNC(=O)NC(C)=O;ZIQQGQDUBOFJOT-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59834;MM59834;C=CC=CN(O)C(C)=N;PCMXQLPGJDOSFD-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59835;MM59835;C=CCNC(=O)NC(N)=O;HWACXRJKPVSSIC-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59836;MM59836;C#CC(C)(CO)N(C)C=N;QPEGUTQZVIPMMB-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59837;MM59837;C=C(C)NC(=O)NOC=O;KQXBPLWWEMZTRK-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59838;MM59838;C=CC(N)C(O)CC;GTYUYRUEPYCPRZ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59839;MM59839;C=C(C)C(=O)C#CC(=N)N;DYBDXHLUMVRKGL-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59840;MM59840;C=C(C)OC=CN(N)C=N;VYTQPFBKKXTLML-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59841;MM59841;C=C(NC(N)=O)OCC#N;IGHDLMPAKWDJSG-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59842;MM59842;C#CC(=CCNC)C(C)O;AQWYOJFIACZJMN-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59843;MM59843;C#CC=C(C#N)NC(C)=N;RZFJIBYBAVHERP-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59844;MM59844;CN=C(CN(C)C)N(C)N;AZHBBORFWCGFNC-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59845;MM59845;N#CCOC(=N)NC(N)=O;CPHPOMWDSOMROA-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59846;MM59846;CC(=O)NC(=O)OCC=O;QAQJAPMIYUKJQG-UHFFFAOYSA-N;145.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59847;MM59847;C#CC#CC(=CCN)CO;PNEWUGOKLLSTKT-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59848;MM59848;N#CCOC(=O)NC(N)=O;IMPRCBOEWJUIAN-UHFFFAOYSA-N;143.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59849;MM59849;N=C(N)NN=C(N)NO;YVBYHPWZWYEZTF-UHFFFAOYSA-N;132.13;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59850;MM59850;C=C(C)NC(=O)ONC=O;XQLNIYWUNUFVKI-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59851;MM59851;N#CCNC=NOCC=O;VQYKROBWAQLWLL-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59852;MM59852;CNCC#CC=NN(C)C;UKECHWPUKZVFER-UHFFFAOYSA-N;139.2;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59853;MM59853;CC#CC(=CCN)CO;QSVOHLQVMCOHBM-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59854;MM59854;COC=NNC(=N)CC#N;FLYOPGGMBJNOEQ-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59855;MM59855;C=CCNNC(=N)C#CC;QLLYHTPMQQTLMV-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59856;MM59856;C#CC(=CCN)CO;ZLUUTASCQXQVGU-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15778;MM15778;C=C(C)OC(=O)OCC=O;WVEVUQXODLTQLW-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59857;MM59857;C#CCC(CNC)ON=C;LVUSATQSWWTHQR-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59858;MM59858;CC=NN(C)C(=N)CC#N;AJTRTRKIEUGBIU-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59859;MM59859;C#CCOC(=C)CC(C)=O;MBINOQMWJFEOHF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59860;MM59860;CCC(C)C(F)(CN)CN;JKOJBRBHKQAGPP-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Prop-2-ynyl 3-oxobutanoate";MM02397;C#CCOC(=O)CC(C)=O;ONTHIOPVTJEYLT-UHFFFAOYSA-N;140.14;0.14;10103249;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59861;MM59861;C#CCOC(=O)CC(=O)O;SGXASLHAOASXNY-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59862;MM59862;CC=CCC(F)(CN)CN;QQNGDJDBMQZCDG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59863;MM59863;C=CC(=C)C(N)C(C)O;SASLYGWWVKAJQZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59864;MM59864;C#CC(C#C)(OC)C(C)N;DLMHKUCTHSRREE-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59865;MM59865;C#CCNC(=O)NC(=C)C;IMNMJBUTXTXRKI-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59866;MM59866;C=C(CC)CN(C=N)C=N;UENPSZSGOOMKGU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59867;MM59867;C#CCOC(=C)NC(N)=O;IYRKEWBSCSSQHE-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59868;MM59868;C#CC(=N)NCC#CC=O;RJUFQFLQTMQQIH-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59869;MM59869;CC#CC(CN)C(=O)OC;QTOHTDKHHXOBLG-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59870;MM59870;CCOC(=CF)C(=N)NN;CJHKVPQTNBMBEX-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59871;MM59871;C=CC(=NOC)C(=N)NC;FAOHSNNXGWYMIF-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01868;MM01868;CC(C)CC(F)CC=NO;JIJBRYXDWVCPJR-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59872;MM59872;C=NNC(=N)C(C)=NNC;IOEWZLNNXJQASW-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59873;MM59873;CC(O)CC(F)CC=NO;VHGXJLKMZRXUOD-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59874;MM59874;COC(CC#N)ONC=N;DXNYZZSYACQZCE-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59875;MM59875;N#CCN(C=N)CC=CF;AUASTJKITGRDEJ-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59876;MM59876;C=NNCC(=C)OC=NN;MHEMWQTUJGAEBB-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59877;MM59877;CNCC(C#CC#N)OC;UOHAXCBUXGPOQQ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59878;MM59878;C#CC(C(F)C#N)N(C)C;ADDISQLKCIFLBR-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59879;MM59879;C=NNC(=N)OCC#N;ITRLZDXKCBCYIR-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59880;MM59880;CC=CCC(O)CC(N)=O;ASTGZBZDFXFSFI-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59881;MM59881;CC(CC=NO)CC(=O)O;NDTVCMMRYYCUTA-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59882;MM59882;N#CC(F)(C=O)C(=N)N;OQCMZCNLADCQTH-UHFFFAOYSA-N;129.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59883;MM59883;CC=CC(N)C(C)O;DIPOYAICUXAMIO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59884;MM59884;CC(=O)CC(C)OC=NO;OGEAJCSUWYZABI-UHFFFAOYSA-N;145.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59885;MM59885;CC(O)C(N)C=CCCF;QJKIUQBKUFTMEG-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59886;MM59886;C#CCOC(=N)NN=CC;KCSNKVVYRYMCCF-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59887;MM59887;C#CC#CC(CN)N(C)C;GZUSXFBWZOWBFY-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59888;MM59888;C=COC=C(C=O)C(=N)N;HABQCBZJIJZRBO-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59889;MM59889;CCC=CC(=N)N(C)O;VCPULKUORYUUGQ-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59890;MM59890;C=CNC=NN=C(C)C=O;MLVYDJQBGYGNRJ-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59891;MM59891;N#CC(N)=CC=NOC=O;KCPAKIRJBCFZNI-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59892;MM59892;CC(C)CC(=O)NC=NN;GIEAPJWRUVIAPX-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59893;MM59893;CC(C)CC(=O)NC=NO;LAZXCWZCSUCWSF-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59894;MM59894;CN=CNC(=O)CC(C)F;MYDLATBBMOSNLS-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59895;MM59895;CNN=C(C#N)CN(C)C;BCXNRLIGJDEMOJ-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59896;MM59896;N#CC=C(N)N(C=N)C=N;HFZZMAVOYUFBTF-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59897;MM59897;C#CC(F)C=CNC=NO;ASWBZZWIISLYOE-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59898;MM59898;CC(C)NC(=O)CC=NO;RMDMKAMWXGYKKI-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59899;MM59899;CC(C=CC=NN)=NO;WGJOJYNCCUYULF-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59900;MM59900;C=C(C#N)CNC=NO;NYOOWPQBPQFDSE-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59901;MM59901;CCCC(N)=CC(=N)NO;HKSGRKLEAYCSQI-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59902;MM59902;C=C(CC)C(N)CO;NDAVRUJSUNHKBL-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59903;MM59903;CN=CNC(=O)OC(C)C;DQUFTEOWJCLHGL-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59904;MM59904;CC=C(C)C(=N)NC(C)=O;PYHXXTLVQMWORM-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59905;MM59905;CNC(C)CF;OTVVWCCQPPNQKG-UHFFFAOYSA-N;91.13;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59906;MM59906;C#CCCN(C=C)C=NO;FNSGAAXIDFMBFE-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59907;MM59907;CC(=CCCF)C(N)CO;RTEWCSZLLWXYCK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59908;MM59908;C#CC(=NCC#N)N(C)O;JLARGVQPNYSDRM-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59909;MM59909;CN=CN(C)C=NC;NQECXWRVIZLSTI-UHFFFAOYSA-N;113.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59910;MM59910;CN(C)NC(=O)CC=CF;ZQWRKWDPWPQHCX-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59911;MM59911;C=C(CO)CNC;WAJHRIPTISIIEF-UHFFFAOYSA-N;101.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59912;MM59912;CC=NNC(=O)NN(C)C;KAYMUFAJNJPSTI-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59913;MM59913;CC=CCC(=O)CC(N)=O;TYLJPSGOVIWJHG-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59914;MM59914;C=C(CC=NO)CC(C)=O;MYDXTZFLLBEVEU-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59915;MM59915;C=CC=NNCC(=O)NN;VYQXWXXPWURMOL-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59916;MM59916;C#CC(C)C(=CCO)CN;ALSMMVOCNYOTTE-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59917;MM59917;C=CN(N)C(=NC)NN=C;GWVZTMJZNYREOA-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59918;MM59918;CC=CNC(=O)CC(C)=O;XXJFBWUUBQOTPY-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59919;MM59919;CC(F)=C(CCO)NC=N;CAYBCYJYXVCBEH-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59920;MM59920;C=C(C=NN)C(O)C=NN;ZJMOVUCXDZXPHL-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59921;MM59921;C=NNC=NNC(=N)N;WHSNBHDIBJQXLC-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59922;MM59922;CC=NOC(=N)N(O)C=N;RCWLYFUFUFELRM-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59923;MM59923;C=C(NC=O)C(C)C=NN;CRWWFCQGPCHEIB-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59924;MM59924;C=C(CC(C)=O)OC=NO;ZSFNOQNUONLUKE-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59925;MM59925;C#CCN(C)C(C#N)CO;IPIKAUFPBFAWJX-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59926;MM59926;CCC(F)(CN)CN;UVENNWFXRZXMBQ-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59927;MM59927;CNC(C)C(F)CN;VOFWSTFTAIBQIT-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59928;MM59928;CC(C)=NNC(=N)NC=N;IYPJOCWUTGXBSN-UHFFFAOYSA-N;141.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59929;MM59929;C=C(CO)OCCC=NN;FJJSZQBGZOIWBV-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59930;MM59930;C=NNC=NC(CO)CO;WBUYTIDFVXSDFM-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59931;MM59931;C=CC(=CCC(N)=O)CN;HCRQRDFBVUXRGS-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59932;MM59932;CNCC(C#CCF)C=O;KZPFATIXBOUALA-UHFFFAOYSA-N;143.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59933;MM59933;CC(=N)NC(C#N)=CN;DFTLWTVKUKGYJH-UHFFFAOYSA-N;124.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59934;MM59934;CN=CN=C(N)CCC=O;CGEOKGJRDMJNNW-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59935;MM59935;C=C(C)NC(=O)NC=NN;WRERTHVTTKMWLT-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59936;MM59936;C=NN(C=N)CC(=O)C#N;WHVWUDWMWAZNFL-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59937;MM59937;C=CC(C)(CC=O)NC;OJCYCDADWXZJHZ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59938;MM59938;CC=NNC(=O)NC(C)=O;HMOJAHZTAVAJTO-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59939;MM59939;C#CC(=N)NN=CC(=N)N;IEXALNJMBDIXSB-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59940;MM59940;C=C(C)NC(=O)OC=NN;VFODDZQOXVLCLQ-UHFFFAOYSA-N;143.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59941;MM59941;C#CC(CO)CNN=CC;BPDCNJVBWLNZCE-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59942;MM59942;CC=NOC(=N)NC(N)=O;OABDISFZTAEACD-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59943;MM59943;CC=NOC(=O)NC(C)=O;XNZGOGGIKSZJLZ-UHFFFAOYSA-N;144.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59944;MM59944;CN(N)C(=N)NOC=O;NMKFIWGDZXKGLV-UHFFFAOYSA-N;132.12;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59945;MM59945;CC=NOC(=O)NC(N)=O;HTBQWMRSBZZHJH-UHFFFAOYSA-N;145.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59946;MM59946;CCNCC(F)CN;ALSYAGXBMQQVOI-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59947;MM59947;C=C(F)C=NNC(=N)N;RPXHSELVUOGWRD-UHFFFAOYSA-N;130.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59948;MM59948;C#CC=CN(N=C)C(=N)N;JJOXKUNTCGXYRR-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59949;MM59949;N#CCNCC(N)=O;JJAQTYXLNDYZGG-UHFFFAOYSA-N;113.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59950;MM59950;CC=NN(C)CC=O;WAPSHUZTFBMBKN-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59951;MM59951;C=NOC(C)(C)CC(N)=O;DQDXEBHMLVVGPL-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59952;MM59952;CCC(C)(C=NN)C(N)=O;XRSPIBLFMHRBDJ-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59953;MM59953;CNN=C(NOC)C(=N)N;SGSRGUDHRFPMHN-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59954;MM59954;CCONC(=NN)N(C)C;QIWMJTFLGPMUHD-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59955;MM59955;C=C(F)CC(O)CC#CC;SDEDENXVCNJXIF-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59956;MM59956;CNN=CC=C(C)C(N)=O;DJMMKLXTZZPPCZ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59957;MM59957;C=CC(C)(CC(C)=O)NC;YTMVSSWVAKTPMI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59958;MM59958;C#CC(=CCNC)C(C)=O;MYQGJIJWVNSXDH-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59959;MM59959;C=CC#CC(F)C(N)CN;VRYLFMIFKQOKPA-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59960;MM59960;C=C(C)C(=NO)OCCN;JDIXTRYUYHKJEP-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59961;MM59961;COC(C)ONC=N;JEAYWEYCDLMHOZ-UHFFFAOYSA-N;118.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59962;MM59962;CC=CNC(=N)OC;SYYODNMGTBJUCB-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59963;MM59963;C#CC(=NO)NN(C)C=N;DDHWIOQDPSPWHL-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59964;MM59964;CC(O)CC(F)C=CCO;OXOLFQALJFGLLQ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59965;MM59965;CNCC(OC)OC;HUMIEJNVCICTPJ-UHFFFAOYSA-N;119.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59966;MM59966;CC(CC(C)N(C)C)=NO;BXRLLMHDGYCJCP-UHFFFAOYSA-N;144.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59967;MM59967;C=CN(C=N)C=NC;PHYJQFNVYZYVKL-UHFFFAOYSA-N;111.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59968;MM59968;CCC(C=NN)=CC(N)=O;NDIRFLJRQLRIPE-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59969;MM59969;CCN(C)CCC(C)=NO;HULLKJJYGYZRTD-UHFFFAOYSA-N;144.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59970;MM59970;CC(C)C(=O)NC(=N)N;MYARTQQGNKCVFR-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59971;MM59971;C=C(C)CNC(=N)NC=O;CUKYHYNURSOZIE-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59972;MM59972;N#CCC#CCOC(=N)N;KZFZTVRNRYSAPG-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59973;MM59973;CNC(C)C(O)C#CCF;HUUHDINNCOZQOQ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59974;MM59974;C=CNC(=NO)C(=N)NC;GNDKXZYFEDBVCT-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59975;MM59975;CNCC#CC=NN;RHRRJGRYCCPDHH-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59976;MM59976;CC(O)CC(O)C=CC#N;NPSBNDJKNPJEPL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59977;MM59977;C=NN=CC(O)CC(C)O;NNNUCAYMBIMHSQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59978;MM59978;CN(N)C=NC(C)(C)C;WGHVETLWOMUTLW-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59979;MM59979;CCOC(C)ONC=N;RONWRZKXDJFOAN-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59980;MM59980;C=COC(C)ONC=N;UZRVKZWEXQYZCJ-UHFFFAOYSA-N;130.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59981;MM59981;CCC#CC(=N)NNC;XJDWIBZOAIZJSP-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59982;MM59982;C=CC(O)C(N)C(=C)C;YCRFAACIXMCBSM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59983;MM59983;CC(O)CN(C)N=CC#N;YSGXSQBWSFKFQU-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59984;MM59984;CNC(C)C(C)=C(F)F;RNYHRZBIMFFANZ-UHFFFAOYSA-N;135.16;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59985;MM59985;C=COC=CN(N)C=N;VJPTYCXKFNIYIV-UHFFFAOYSA-N;127.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59986;MM59986;N=C(N)C=NNC(=N)CO;QWTHQCWQUPYMKX-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59987;MM59987;CCOC(CNC)OC;AYPDRFJBZIVBIB-UHFFFAOYSA-N;133.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59988;MM59988;CNCC(OC)=C(C)C;AFRCMYKWJCMMQV-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59989;MM59989;C=CCNC(C)C(O)C=C;RZOYQAVHMBDYFC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59990;MM59990;CC(=O)CC(C)C=CCO;KRZWKASRWXEBDF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59991;MM59991;CCC(OC)ONC=N;XRNSSLFYIKVTJK-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59992;MM59992;C#CC(=C(C)CN)C(C)O;KDRZLDWJTTTYTL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59993;MM59993;CC(C=CCO)CC(=O)O;WTQQMKFZFXNZGI-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59994;MM59994;CNCC#CC=NNC;UAZQQRJXZJDQTM-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59995;MM59995;CNC(C)(C)C(C=O)=CN;WZPKPWKAHOXEBG-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59996;MM59996;CCNN=CC=CC(N)=O;DFICTEQBYVCLIQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59997;MM59997;CC#CC(=N)NNC(C)C;RWSBNSCLNLFFOP-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59998;MM59998;CCC=CC(O)CC(N)=O;UHVATLKHRLRCQM-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM59999;MM59999;CNCC(OC)OC(C)C;BPTGFBIFRWZHFN-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60000;MM60000;C=CCCN(O)C(C)=N;NVVMYMCZIHVEJG-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60001;MM60001;C#CC=NOC(C)CNC;QCMOPPGTAUTTOG-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60002;MM60002;C=NOCC(=O)C(C)C;TVAGVSKLTYWFDU-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60003;MM60003;CON=CN(C)CC(=O)O;UHBBVFNGSXZIBG-UHFFFAOYSA-N;146.15;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60004;MM60004;CCCN=CN(N)C(C)=N;AGYXHGSJBNIOSO-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60005;MM60005;CON=C(NC=N)N(C)C;HAUAPWJESHZLDI-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60006;MM60006;CCCCC(F)(CN)CN;SCSBIQUOUDMVEH-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60007;MM60007;CC(=O)CC(O)C=CC=O;ZGKZCFCGXABUEE-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60008;MM60008;CC(=O)CC(O)C=CC#N;HDGRGUBAPLLFSH-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60009;MM60009;NCC(F)(CN)CCCF;JCOYHABVUZGRFB-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60010;MM60010;C=CCCC(F)(CN)CN;QJQVWBQWUYCNCJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60011;MM60011;C=NN=CC(C)CC(=O)O;UFTIDUWHUUUODS-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60012;MM60012;C#CC(C)(CC=NN)NC;XDUDHJWUJDWHAR-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60013;MM60013;C=CC=CC(C)NC(N)=O;UUNJLJYUMCUNTA-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60014;MM60014;CC(C=CC=O)OC(N)=O;KMEKQEKHCCGIHM-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60015;MM60015;CC(=N)N(O)CCC=CF;GANXLEICMNMPRB-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60016;MM60016;C#CC#CC(N)(C=C)CN;NLGIPNCJTYQXKE-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60017;MM60017;CCOC(CO)CNC;VDMDKYGEUKVKKY-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60018;MM60018;C=C(C)CN(O)C=NC=O;NPGSUVSFPKVSGF-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60019;MM60019;CCNN=C(NO)N(C)C;YIGHTORWBXYUDE-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60020;MM60020;CCOCC(NC)C(C)O;XTZHWXZFEHYDFF-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60021;MM60021;COC(=N)NN=CC(C)=O;DDXYLJGAESZGMI-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60022;MM60022;C#CC(N)C(N)C(C)=CC;AEZGXWSUOGQXQG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60023;MM60023;CC(=O)CN(C)N=CC#N;LQORQEMJYKTLQH-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60024;MM60024;CC(OCC#N)ONC=N;XSOKLEYEBJZVTE-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60025;MM60025;CC(=O)NN(C)C=CC#N;KKOXYBVKDXSSMY-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60026;MM60026;C=CN(C)C(=O)CNCC;DRCVHODSRVIYIC-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60027;MM60027;CNC(C)C(F)C#CCN;SGVIBRLLNXPTLS-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60028;MM60028;CNCC=C(F)C(=O)C#N;QWDZSRCQCFXDGL-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60029;MM60029;C#CC(NC=N)C(=C)OC;FVLHYSBBNBZEFP-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60030;MM60030;CNC=CC(=O)CC(C)F;APSZCYQKYPRFBP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60031;MM60031;C=CC(=NN=C)C(=N)NC;UPAYOBBPIUWVEV-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60032;MM60032;CC(CCC=O)=NN(C)C;QJSLHCQQPVVMID-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60033;MM60033;C=CCOC(CNC)OC;PBMDPARZUQXYQW-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60034;MM60034;CNCC(OC)OCC#N;IAARXYBSLSKNDD-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60035;MM60035;CN(O)C(=N)CCC#N;GDZLOXIJSQGYDE-UHFFFAOYSA-N;127.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60036;MM60036;C=C(CO)NC(=N)C#CC;NCYKTXIHPYNOEY-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60037;MM60037;CN(C)NC(=O)C=CC#N;CWRBZSQTKXFGJT-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60038;MM60038;CCCC(OC)ONC=N;RUEHYRCAQXHDLV-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60039;MM60039;C=C(C=CCO)CC(C)=O;WLOSEAQRDLTEHF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60040;MM60040;CC(=O)CC(=O)C=CCO;OBGAOUOTGVFQIQ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60041;MM60041;CCC=CC(=O)CC(N)=O;ZIPSSIPIPLWPMQ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60042;MM60042;CNN=CC(=O)CC(C)=O;VTXJLEJUMCKAKI-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60043;MM60043;CON=CC(=O)CC(C)=O;USRDXPOCWULIFV-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60044;MM60044;C=C(C=CCO)NC(C)=O;CIJLEHXOQIGTJI-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60045;MM60045;C=C(C)NC(=O)C=CNC;DVJXXXBMEZTQSO-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60046;MM60046;COC=CC(=O)NC(C)=O;ZZUNWRYZYIMEAU-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60047;MM60047;C=NNC=NCC(C)=O;UTMNGWIKECITCU-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60048;MM60048;CNN=CC(=N)NC(C)=O;FCBYFIYLXAPBOL-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60049;MM60049;CNN=CC(=N)NC(N)=O;NGYPUVFAFSXTMM-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60050;MM60050;CNN=CN(C)OC=NN;GNBUECCPIYREPT-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60051;MM60051;CNN=CC(=O)NC(C)=O;FRRPXPIIOLPTMS-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60052;MM60052;CC(CC#N)C(=N)N(C)O;HQJILRMGFNUEIQ-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60053;MM60053;C=C(CNC)C(C)O;GROPUSJLTSEQAU-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60054;MM60054;C=C(C)NC(=O)C=NOC;PZJMWQPMFWRAES-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60055;MM60055;CCOC(CC)ONC=N;ZWSNXJQVRXQFRI-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60056;MM60056;C=C(CCF)C(CO)NC;KPPJYEHYVSUGNO-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60057;MM60057;C=CCC(OC)ONC=N;ITDJNNTYRFGSPJ-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60058;MM60058;C=CC=CC(=O)CC(N)=O;XLHXNCIEXAZWQJ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60059;MM60059;N#CCC(C=O)NCC=O;KKQKTUCLYLBHFL-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60060;MM60060;C=NN=CC(=O)CC(N)=O;UTSBHCDGTPDSAR-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60061;MM60061;C#CC(CNCC)OC=O;PWBBMRSVUIABLT-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60062;MM60062;C=C(C=CC#N)NC(N)=O;YAGGYLMHVXTFGE-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60063;MM60063;CC(F)(CN)CN;LADFVZCMJRNJTL-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60064;MM60064;C#CC=C(CO)CNCC;GHMUAOCMOYOZEH-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60065;MM60065;CC(=O)NC(=O)C=CC=O;SPQXXQLNMHVOAE-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60066;MM60066;CC(=O)NC(=O)C=CC#N;XDEAHBVKGFYZKX-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60067;MM60067;C#CC(CO)C(=C)CN;SNFKVJNHJDAIQN-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60068;MM60068;N#CC=CC(=O)NC(N)=O;LBZXFWNSTCEFQL-UHFFFAOYSA-N;139.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60069;MM60069;C#CCC(F)CNC;RYHSRBAFGZPXFN-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60070;MM60070;C=NN=CC(=N)NC(N)=O;XDQHSMWPTIRMTD-UHFFFAOYSA-N;141.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60071;MM60071;CCC(O)CC(=NN)NC;CNTQEAONYVLKNI-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60072;MM60072;C#CCC=C(CO)CNC;ONOIGSJDHSIITA-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60073;MM60073;CCN(N)C(C)=NCCO;SNHOPMSCTUYTGR-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60074;MM60074;C#CC=CC(=C)NC(N)=O;MRVBMUKQMUDZFI-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60075;MM60075;C#CC(N)(C=C)CC;ZPAOTGYCXRYQFW-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60076;MM60076;C=CCNCC(C)O;ZYTBSLSYGOPWGB-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60077;MM60077;C=C(C=O)N(C)C=N;MBGANKDUESJKKX-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60078;MM60078;C=NNC(=N)C=NNCC;HUIYATURZGASMY-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60079;MM60079;C#CCNC(=N)C#C;XTXJRSSJHMNUDX-UHFFFAOYSA-N;106.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60080;MM60080;C=NNC(=NC)NCCO;HJYMBAXPFFYOOZ-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60081;MM60081;CNCC=C(F)C=O;AKIGYLITUJIJBI-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60082;MM60082;C=CC#CC(O)CC(C)O;MQTZDNJYLIADJE-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60083;MM60083;CC(O)CC(O)C#CC=O;XRMCGWWLZMXRTL-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60084;MM60084;CC(O)CC(O)C#CC#N;QHVDJWVHQATTIU-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60085;MM60085;N=CNC(=CF)CF;XMNNKPJRCGXOFX-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60086;MM60086;C=C(C)CNCCO;CBBGNLAWYWPIJZ-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60087;MM60087;C=NOCONC=N;UDPJYGSXJQWWHI-UHFFFAOYSA-N;117.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60088;MM60088;CC=C(C)CNCCO;DKHBMBPWJVXGAF-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60089;MM60089;CC(=CCF)CNCCO;ZIFGLDLFUWZJJE-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60090;MM60090;C#CC#CC(O)CC(C)O;MDWRDSRHXJOBHO-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60091;MM60091;CN(C)CC=CCC#N;UXUASGKTVZONLO-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60092;MM60092;CC(=O)CC(C)C#CCO;NEAXLANGTQDUSC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60093;MM60093;C#CCC(=CCO)CN;MJKCRIYXABZNAJ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60094;MM60094;CC(C#CCO)CC(N)=O;QQYZKNYVFQNZGQ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60095;MM60095;CCNCC(F)CNC;YNSAMLSMNHKFTK-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60096;MM60096;CNC(=NC(C)=N)NOC;BFWLDUHYEIAAAF-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60097;MM60097;C=NNC=NC(=C)OC;YWCXLYOITQSOOM-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60098;MM60098;CCC(=N)N(N)C=NC;ZZLIPMADIKQQAJ-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60099;MM60099;C=CC#CC(O)CC(C)=O;SDWPSEOIQVBQCG-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60100;MM60100;CC(=O)CC(O)C#CC#N;FYPGKDLVYYPNSF-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16488;MM16488;C=CC#CC(O)CC(=O)O;RMLOFDNQWFYPQW-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60101;MM60101;C#CC=C(CN)CCO;IRGUIOVFWUERDF-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60102;MM60102;C#CC(N)(CC)CN(C)C;VTHLHJZPIOVIQE-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60103;MM60103;CC(=O)NC(C)C#CC=O;LQOMCJYJJOPBHH-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60104;MM60104;C=CC(N)C(C)(F)CNC;HPZAITCQWNLXMB-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60105;MM60105;C=CC#CC(C)NC(N)=O;PPYZZOORFRYDRI-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60106;MM60106;CC(C#CC#N)NC(N)=O;FUSGEFMKQMOPSW-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60107;MM60107;C#CC(=N)NN(C)CC#N;KKWZPZWBLKPHKJ-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60108;MM60108;C#CC(=N)N(C)NC(C)C;IJFBTDLYQVDIEO-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60109;MM60109;C#CC#CC(O)CC(C)=O;BDCLOYVOQZQZGA-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60110;MM60110;C#CC#CC(C)NC(N)=O;ZPTQZMNGGMNAET-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60111;MM60111;C#CC#CC(C)OC(N)=O;OWGHOLGBSWECQV-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60112;MM60112;CN(C)CC=CCOC=O;KHIUIRFWHBFWSW-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60113;MM60113;CNC(=N)NN=C(C)OC;WKLNVUMGGJKZES-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60114;MM60114;C=C(C#CCO)CC(C)O;YWDJHTKAACJPFT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60115;MM60115;CC(F)CC(=O)C#CCO;KVEVZBQPKCCBPQ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60116;MM60116;C=C(CNC)OC=NOC;CHXBJPZOTQAGBE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60117;MM60117;C=NNC=NN(C)C;BMEDIVNAVHHTGZ-UHFFFAOYSA-N;114.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60118;MM60118;CC(C)NC(=O)C#CCO;KSRMPMFKQBQKKK-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60119;MM60119;C=NOC(CCF)CNC;VLRLWWBCTWJEMN-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60120;MM60120;CN=C(C#N)NC(=N)OC;WLRCXNSIJOKDBF-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60121;MM60121;CN(C)NC(=O)C#CCF;VUXRYVCPFPXSMQ-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60122;MM60122;CC(O)CC(=O)C#CC=O;NWISDRGFOBCCHZ-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60123;MM60123;CC(O)CC(=O)C#CC#N;AVFDMAWYLLTNRT-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60124;MM60124;C=COC(OC=C)C(C)N;WCDWOCIYIIRLIW-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60125;MM60125;CC(C)NC(=O)C#CC=O;KJUSSMAMPUYXJK-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60126;MM60126;CN(C)C(=NC=O)N(C)N;MQPIEFQXYRIZNY-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60127;MM60127;C=CC(N)COC(=O)CC;ZHSGLICOSQBKNZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60128;MM60128;C=CC#CC(=O)NN(C)C;DKFHJLOUGINVKQ-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60129;MM60129;C#CC(=O)OCC(N)C=C;DCKBEDZRIPKPME-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60130;MM60130;C#CC#CC(=O)NN(C)C;QYBQCTNUPDRRFO-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60131;MM60131;C=C(C#CCO)CC(C)=O;KDUCDGDTHPLODX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16480;MM16480;C=C(C#CCO)CC(=O)O;KBZYHQQUPWDIMT-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60132;MM60132;CCC#CC(=O)CC(N)=O;LSSNRPMEPUFMBU-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60133;MM60133;C=C(F)CC(=O)C#CCO;TVXOBASIHHGRMH-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60134;MM60134;CN(C=N)N(C)C(=O)C#N;PIIFFUGQQMONFF-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60135;MM60135;C#CC(=O)N(N)C(=N)NC;CDYBLDRIXCEHAB-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60136;MM60136;C=CC(N)C=CC(=C)CO;DIATZSBBUKBSCS-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60137;MM60137;C#CC(C#N)OC(=N)NC;IRKKPUONNBDPRP-UHFFFAOYSA-N;137.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60138;MM60138;CCC#CC(=O)NC(N)=O;UZTLOGIIHDCKNP-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60139;MM60139;C=C(C)C(C#N)N(C)C=N;UMHRHTJXSBFCJV-UHFFFAOYSA-N;137.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60140;MM60140;C=C(C#CCO)OC(C)=O;RFQGKKVGPSSPIO-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60141;MM60141;O=CCCNCCC=O;LONDZJRHKKWGII-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60142;MM60142;CN=C(C#CC=NN)NC;BKBOJGUFPFBYGL-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16385;MM16385;C=C(C#CC=O)CC(=O)O;RCSUDEZXPBIBCG-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60143;MM60143;C=CC#CC(=O)CC(N)=O;AZFMRBUJNCPRFI-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60144;MM60144;C#CC(CN)C(=O)OCC;QHJNRCOIURQPJF-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60145;MM60145;C#CC(CN)C(=O)OC=C;FMGYPBLLNIBMRT-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60146;MM60146;COCCN=CNN;MQSMLQMIYADIIF-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60147;MM60147;C=CC#CC(=C)NC(N)=O;ASPJZFSGOVYFRL-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60148;MM60148;C=C(C#CC=O)NC(N)=O;ONCRLCHDMLVKBK-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60149;MM60149;C=C(C#CC#N)NC(N)=O;YYYOMXAZAXFDLV-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60150;MM60150;CN(C=N)C=C(F)C=O;QEADATJAFCECGW-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60151;MM60151;C=C(CC#N)C(C)NC;OEROZRHMYYNFQC-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60152;MM60152;CC(F)CC(C=O)N=CN;RQSMYDYBNHHTJX-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60153;MM60153;C=CC#CC(=N)NC(C)=O;OLQXNKMYUZNHIU-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60154;MM60154;C=CC#CC(=O)NC(C)=O;GBPASPJXCIQLOL-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60155;MM60155;CC(=O)NC(=O)C#CC=O;MQIVIFBLLWAARE-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60156;MM60156;C#CC#CC(=C)NC(N)=O;OUKMXUIOLVTMEG-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60157;MM60157;C#CC#CC(=N)NC(C)=O;ITNGRBURJLNRRT-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60158;MM60158;C#CC#CC(=O)NC(C)=O;AKWIQIJFQJODGA-UHFFFAOYSA-N;135.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60159;MM60159;CNC(C)C(F)C=CF;FSCWMAPONXUZPN-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60160;MM60160;C=NNC(CN)C(C)F;UXEQQLWOURRNEF-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60161;MM60161;C=COC(OC)C(C)N;PHRCRKORWNHEBK-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60162;MM60162;C#CC(C#C)ONC=N;MVNHWAVIMFKMSE-UHFFFAOYSA-N;122.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60163;MM60163;CNN(C=N)C=CC#N;APMPPPNLHILDPM-UHFFFAOYSA-N;124.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60164;MM60164;CNN=CCN=C(N)C=O;MBGZYCFAWWANAN-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60165;MM60165;CCOCCN=CNN;MIGALGONUXBRNW-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60166;MM60166;C=CC(C)(N)CN(C)N=C;UCBUJWIJXXLUMD-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60167;MM60167;CCC(N=CN)C(C)=O;IOTJHYGETFPIQX-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60168;MM60168;CC(C)(C#CC=O)N=CN;ZTBIQHOVADEYDH-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60169;MM60169;C=NOC(C)(CN)CCF;PYUJHHOEIBVBKO-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60170;MM60170;C#CC(=CF)CNC=NO;YCMQWNDPLUXMAP-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60171;MM60171;CC(=NNC=N)C(=N)N;JZFLVYCGIQPVRF-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60172;MM60172;CCNN=C(C)CC(=O)O;ZUCZFJXGRQCDPK-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60173;MM60173;C=CC(=N)NN=CC(=N)N;OMQLVMXBBCHFQE-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60174;MM60174;C#CCN(C)NC(=N)C#C;DDKVHISLECIXCZ-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60175;MM60175;C=CCNCC(N)C(=C)F;VFVNOHXHSWKSDN-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60176;MM60176;C=C(C)C(=N)NC=NNC;SLVKTIHLYVOKQU-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60177;MM60177;CCOC=C(C)NC(N)=O;MLMZHBBFRLXUGP-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60178;MM60178;C=CN(OCC#N)C(=N)N;GEVAKHGNCQZGKC-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60179;MM60179;CCNN=C(C)NC(C)=O;KUPSWJGNKFGLOM-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60180;MM60180;CCON=C(C)NC(N)=O;OYFPZQXLLGEOHW-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60181;MM60181;C=CCC(ON=C)C(=N)N;GLKMWHDJGUPQFT-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60182;MM60182;CON=CNN(C)C=NO;WPODSXFZPWVEBO-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60183;MM60183;CC(=CCC=O)CC(N)=O;AINPMBKCFPMJML-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16458;MM16458;O=CNC=C(F)CC(=O)O;FTXSEYVBSSCNFO-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02441;MM02441;CC(=O)CC(C)=COC=O;ONPSZKMGGRRVJA-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60184;MM60184;CN(C=O)C=NNCCN;VWVLNSOEUPJMKI-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60185;MM60185;C#CC(N)(C#C)C(N)CC;ZVNLSIMHDQEDNW-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60186;MM60186;C=C(C#CC(N)=NC)C=O;IIQGIKCSGHUCFH-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60187;MM60187;CC(=CCC#N)NC(N)=O;KUZKMRNEDUVQPK-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60188;MM60188;CCCNC(=N)C=NN;CAJMZTDKEMHPSG-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60189;MM60189;CC(=O)NC(C)=NCC#N;AGDIEYKBZGFFBD-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60190;MM60190;CC=C(C#N)C(=N)NC;BQLBEBKSMDTJOW-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60191;MM60191;CC(=NCC#N)NC(N)=O;WSXPCUAMBWLTAP-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60192;MM60192;N#CC#CCOC(=N)N;YEDIAXRNJFLGIX-UHFFFAOYSA-N;123.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60193;MM60193;COC(C#CC(C)N)OC;WWHWPVKHQWCNJR-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60194;MM60194;CNC(=N)C(=NOC)NN;VNEQNENPYKAJJW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60195;MM60195;N#CC(=O)OCONC=N;MFALIUIJKQBQTQ-UHFFFAOYSA-N;143.1;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60196;MM60196;C#CCC=C(C)NC(N)=O;NRKCUADYQDDACM-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60197;MM60197;N=CNC(N)=NC(=O)NN;JBWDVOZHPIMSPZ-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60198;MM60198;C=C(C)N=CNC(=O)NC;AHVZMKWSMXBLPB-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60199;MM60199;CC(CC=NO)OCCN;STDMPFMHOWUOPG-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60200;MM60200;C#CC(=O)OCONC=N;KZAUIUHJGPMICD-UHFFFAOYSA-N;142.11;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60201;MM60201;CC(=O)NC(C)=CC=NO;TZFAXSYCAAQOPX-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60202;MM60202;C=NN=C(NO)N(C)N=C;JHCQVHIUWLRVLE-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60203;MM60203;C#CCNC(C)=NO;XXIOJLHHSZBXEO-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60204;MM60204;C#CC=CC(C#N)NC=N;ZJHUMOWKJPIAFU-UHFFFAOYSA-N;133.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60205;MM60205;C#CC=CN(C=N)C(C)=N;VLHGTDMTMANWGQ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60206;MM60206;COCCNCCCC#N;MBTVTUWQZNSRTR-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60207;MM60207;C=NN=COCONC=N;IRKAMOUEKRGFPS-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60208;MM60208;CNCC(C)F;DQDVZNUXKBPVFN-UHFFFAOYSA-N;91.13;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60209;MM60209;NCCOC=CCC=NO;GTOMZTNJQXKSAD-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60210;MM60210;CC1CC1(F)CN;DBMFORAFPSLYTC-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60211;MM60211;CNCC(F)CCF;HWSNVDLRILOICR-UHFFFAOYSA-N;123.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60212;MM60212;NCC#CC(F)CN;WVUTZZCJNSRSFJ-UHFFFAOYSA-N;116.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60213;MM60213;C=COCONC=N;VRBJHPHLRLFIHM-UHFFFAOYSA-N;116.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60214;MM60214;CNC(=NC(C)C)NC=O;MZLFRHSMYWAGQV-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60215;MM60215;C=CC(C)(N)CNN=C;FHNNENFLTXSBFK-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60216;MM60216;C=NNCC(C)(O)C(C)=O;JUEZTBVNYMNXLD-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60217;MM60217;C=CCC(F)(CC)CN;KAEAZHJENHCZFP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60218;MM60218;C=C(C=O)CCN(C)C;IZLNFPZTHKKQEP-UHFFFAOYSA-N;127.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60219;MM60219;CC(F)=CC(O)CCC=O;AVAMDYHCIGBXQL-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60220;MM60220;CC(C)OCONC=N;GNNXMLCYXFTTLP-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60221;MM60221;C=C(C)C(F)C(C)NC;GVCNQLZMXXYCOA-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60222;MM60222;CC(C)=CC(O)COC=O;KDWJGJAHNWUWOB-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60223;MM60223;CN(N)C(=N)N(C)C=O;JTXNUEXGWHQOLE-UHFFFAOYSA-N;130.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60224;MM60224;C=C(C(=O)OC)C(C)N;NXQXAGGVCCYDND-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60225;MM60225;CC(C)=CC(=O)CCCO;FQGYJWZJZJIPJL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60226;MM60226;COCCC(=O)C=C(C)N;IIDLZVVMDFMSPE-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60227;MM60227;CCN=C(NC=O)NCC;UTWVQAANGDMBCN-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60228;MM60228;N=C(N)NOC(=O)NN;AOGIZTWIOHDZFT-UHFFFAOYSA-N;133.11;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60229;MM60229;CCCNN(C)C(=O)NN;IBSUXYOHHOFUNW-UHFFFAOYSA-N;146.19;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60230;MM60230;CNCC(F)C(C)NC;KHFBDBGTNMKQJL-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60231;MM60231;C=CC(O)(C#CC)CNC;SRQPRURCPMTTCA-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60232;MM60232;CCONC(=O)C=C(C)N;JYKBKXLTMMJEFZ-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60233;MM60233;C=COC(CNC)OC;KVSSLDGACAKWMI-UHFFFAOYSA-N;131.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60234;MM60234;C#CCC(C=CF)NC;GLYSQWBMJOQOAE-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60235;MM60235;COCOC(=O)C=C(C)N;PHOJTMRPOQTLHK-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60236;MM60236;CC(N)=CC(=O)CCC=O;LLJCKZFOEPIEAP-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60237;MM60237;CCOC(OC)C(C)N;SRIMELQDXSSVAC-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60238;MM60238;NC(N)=CC(=O)CCC=O;MVIPYHWWIYVCEB-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60239;MM60239;C=C(F)C#CC(O)C(C)N;MUFYPVLFMRYDGT-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60240;MM60240;C#CC#CC(O)C(C)N;VZJAUBYKGHXHNM-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60241;MM60241;CNC(=NO)NN(C)C=N;WKBDERBMJXKLOV-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60242;MM60242;CC(C)=CC(=O)COC=O;KGNTXTXUZFXDOR-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60243;MM60243;C=COCC(=O)C=C(C)N;RBKBSVWVWMYLNI-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60244;MM60244;C=C(CC)N(C=N)C=N;AZWDGMBLMSZPMD-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60245;MM60245;C=C(CNC)C(C)(O)CF;MPAJXMCUDWSNNO-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60246;MM60246;CC(C)(C)NNC(N)=O;DNXZGSAWQFFROP-UHFFFAOYSA-N;131.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60247;MM60247;CC(C)=CC(=O)NCC#N;SYVFIRPYIRNMLJ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60248;MM60248;C=CC(NC)C(O)CCF;ZOKLDGJUKOUPOT-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60249;MM60249;CC(N)=CC(=O)NN=CN;JLPRYSGZDQBYJF-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60250;MM60250;CC(N)=CC(=O)OCC#N;SEXWHVKBISMVTD-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60251;MM60251;C=CCOC(=O)C=C(N)N;WWIJOWZFGHZVCJ-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60252;MM60252;N#CCOC(=O)C=C(N)N;VHSMJJBBMXFBCS-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60253;MM60253;C=CC(NC)C(O)CC;CVHHLVJBBGGGFE-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60254;MM60254;C#CC(=C)C(=NC)NN;GHXXAVWCQZOYSM-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60255;MM60255;C=C(CNC)C(C)(C)O;SHWFUCWVIOSUBG-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60256;MM60256;CCCOCONC=N;COHXWTOFNPNVFP-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60257;MM60257;CC(C)=NN(C)CC=NO;KVTUDCNCXYOVQL-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60258;MM60258;CC(N)=CC(=O)CC=NO;GZEHMNVKVYRUJC-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60259;MM60259;CCNCCC(C#N)CO;FGIHYJFTFFACSC-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60260;MM60260;CC(N)=CC(=O)NC=CF;XLWUXVOODUVDMT-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60261;MM60261;C=CN(C=N)C(=N)N(C)O;IRGKYGMCNWOCBO-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60262;MM60262;C=CC(NC)C(C)O;SCRZPJSSGJTNBB-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60263;MM60263;N=C(C=C(F)F)NC=NO;DJIPDBTUIOYYHC-UHFFFAOYSA-N;149.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60264;MM60264;CC(C)=CC(=O)NC=NO;QTXQWUQLWRXNRJ-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60265;MM60265;C=NOCC(C)(O)C=NN;PDLQWKXZVPRTIP-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60266;MM60266;CC=NNC(=O)C=C(N)N;FOQBQFRYZCOXTP-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60267;MM60267;N#CCOCONC=N;HRKKBRFQVKWIPT-UHFFFAOYSA-N;129.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60268;MM60268;CC=COCONC=N;VQCGVQGXRHMZRX-UHFFFAOYSA-N;130.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60269;MM60269;NCC(N)C#CC(F)(F)F;OVQIFDDIBNFLGG-UHFFFAOYSA-N;152.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60270;MM60270;CNN=C(C#N)N(O)C=N;KVIKGQVRUHQPLB-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60271;MM60271;C#CC(C#N)(CO)N(C)C;SETZLNDLUGLHOS-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60272;MM60272;CC(C)(N=CN)C(=O)C=O;NOKIXDCOVCFGKR-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60273;MM60273;CC(C)OC(=O)CN=CN;UMFWCNSVSGUMDW-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60274;MM60274;C#CCOC(=N)NC(C)C;WBHHQLCOFJEZIE-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60275;MM60275;CNC=CC(=O)C=C(C)C;CPBHAOGUOOBJBQ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60276;MM60276;C=CC(C)(N)CNN=CC;NKTKXYJSGCGZTD-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60277;MM60277;CC(C)C(=O)C#CC(=N)N;YTYKRNBMRKTQNG-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60278;MM60278;C#CC(C)CC(F)CNC;WXDYDBHIEVYBBC-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60279;MM60279;CC=CC(NC)C(C)O;OKWTZEFNBQNHMA-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60280;MM60280;C=C(OC)C(O)CC=NN;VBYVIZDWQGOOER-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60281;MM60281;CC(C)=CC(O)C#CCO;HLINGOWIIDAPLX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60282;MM60282;C=C(F)C(N)CC#CCN;UBXMLJOMWZXSAI-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60283;MM60283;CC(N)=CC(=O)C#CC=O;LQLRAXYACMPBKX-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60284;MM60284;C=C(C(=O)OCC)C(C)N;KSGFBRHNVDGWOO-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60285;MM60285;C=COC(=O)C(=C)C(C)N;ASSKBGQQPHHXMV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60286;MM60286;C=CC(CC(=O)NC)=NN;COUIEICXXPTGDX-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60287;MM60287;CCC=CC(NC)C(C)O;ZZDVWXZFALGACH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60288;MM60288;C=COC(CNC)OCC;QKNVCKZRCVWVCO-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60289;MM60289;C=CN=C(CCF)NC=N;ADQLSQIDDTYHDZ-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60290;MM60290;C=CNC(=O)CCON=C;CYAPFQXDEZDJEM-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60291;MM60291;C=CC(F)(CN)CNCC;RWGVCJOAQHJQKE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60292;MM60292;C=C(C#CC(C)NC)C=O;LOTKVXJWBVKACY-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60293;MM60293;C#CC(=N)N(C)NCCC;YMPNSLJBZKGJLJ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60294;MM60294;C#CC#CC(=C)N(N)C=N;CWACNXRMRPMFIE-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60295;MM60295;CC=C(C)C(=N)N(C)O;OYBUNFOMFJFYMN-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60296;MM60296;C=C(CC)OCONC=N;ZZMOGKLCOIYRQA-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60297;MM60297;C=CC(=CCN)C(C)O;YSYHJMOXNSZTPI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60298;MM60298;N#CC(F)=CN=CNC=N;IAZZOSOINWTZPV-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60299;MM60299;C#CCN(NC)C(=N)C=C;YOBNSMLHVFNTEP-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60300;MM60300;CCN(CCF)N=CNC;OISMKHOLXXHJTH-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60301;MM60301;CNCC(=CCF)C(C)O;BBYAZBWVTVPRPH-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60302;MM60302;C=CC=CC(C#N)NC=N;DDKADLNDFDFFMZ-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60303;MM60303;CCNN=CC(O)CC;FFHURGPSIDGRTH-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60304;MM60304;CC(=CC(C)O)OCC=O;SREGBRLURXYYRG-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60305;MM60305;CC(=CC(C)O)OCC#N;AOGDYMFQVIKDPP-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60306;MM60306;CC=C(CNC)C(C)O;WWFVVZAZLDYSMI-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60307;MM60307;CCCOC(OC)C(C)N;RLZAYEGNAAMZFE-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60308;MM60308;C=CCOC(OC)C(C)N;BKDDUGGTNNRBNX-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60309;MM60309;C#CCOC(OC)C(C)N;GBVWOJRJDCKXTC-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60310;MM60310;C=NNCC(C)(O)CC=O;WZNNZDMIKZWBAM-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60311;MM60311;C#CC=NNC(CN)CF;OPMRFSBJRIJJFA-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60312;MM60312;COCCC(N)=CC(C)=O;BBWDJTOKQYVYBB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16249;MM16249;COCCC(N)=CC(=O)O;LHSRKDSZQQKFFF-UHFFFAOYSA-N;145.16;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60313;MM60313;CCOCOCONC=N;YNUHZYWSDYAMJP-UHFFFAOYSA-N;148.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60314;MM60314;C=CCCOCONC=N;JHNXTJRSDSVVJR-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16409;MM16409;CCCOC(N)=CC(=O)O;CWKCKVQUSPZMDS-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60315;MM60315;COCOC(C)=CC(C)=O;AXGGAWLHHXKSHK-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60316;MM60316;COCOC(N)=CC(C)=O;FZOHPZPHVNBLOE-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60317;MM60317;C=C(C)C(CO)=NN;NVXDDYGDFCCUNH-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60318;MM60318;C=NNC(C#CC)C(C)O;UGNWDSCSDLYMKF-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60319;MM60319;CC(=O)C=C(N)CCC=O;JJQIYLQSSCEQRX-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60320;MM60320;C=COC(CO)CC=NN;GJMUMPKIIOGMEO-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60321;MM60321;N#CCCC(N)=CC(=O)O;NCYBGVPHLSWVLI-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60322;MM60322;CCN=NC=C(CO)NN;BKXHDQKCYOZPMI-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60323;MM60323;CC(=O)C=C(C)COC=O;LEOKSTSNVIDMHZ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60324;MM60324;C=COCC(N)=CC(C)=O;AWTOFYLFTDAKMR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60325;MM60325;CC=C(OC)C(=N)NO;NQUYRIRSJAVAIA-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60326;MM60326;CC(=O)C=C(C)NCC=O;XVAIZAJUPFNMDK-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60327;MM60327;C=C(OCC#N)C(=N)NO;ZRGLWYULRIBLPQ-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16559;MM16559;CC(=CC(=O)O)NCC=O;HDEMDESFVQFHPR-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16265;MM16265;CC(=CC(=O)O)NCC#N;PXRUNFUEDNLWDC-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60328;MM60328;CC(=O)C=C(N)NCC#N;XQFFVHANSSBDNQ-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60329;MM60329;CC(N)=C(C)C(=N)NO;CLMOMBYHVMQEPL-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60330;MM60330;C#CC=C(CO)C(C)NC;ZSMHUZOMIUWJNV-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60331;MM60331;NCC(N)CO;QHBWSLQUJMHGDB-UHFFFAOYSA-N;90.13;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16215;MM16215;CC(=CC(=O)O)OCC#N;LXSBIUQTLAXPFR-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60332;MM60332;COC=COCONC=N;AWOIZALZZDREGT-UHFFFAOYSA-N;146.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60333;MM60333;N#CCOC(N)=CC(N)=O;XTTCLIZRFKYEQP-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60334;MM60334;N#CCOC(N)=CC(=O)O;RHFWNGQUYGZNFU-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60335;MM60335;C=CC=COCONC=N;TZHWWKDPDFGJLP-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60336;MM60336;C=CC(=C)C(=CCN)CO;IKEOSKUNQNTORG-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60337;MM60337;NN=CCC(O)CCO;PCANFVCUDJJSMQ-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60338;MM60338;N#CC=COCONC=N;CSYWNFIWGSJHBD-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60339;MM60339;CCC(C)=C(CO)CNC;HQXZIICGNAWQMN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60340;MM60340;C#CCOC(N)=CC(C)=O;SJAWNARSRJWXBP-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60341;MM60341;C=CN(C=NC)C(=O)NC;CURMCABVBZSNHP-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60342;MM60342;CC(=NN(C)C)OC=NO;IQUWMTOTJIHWHF-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60343;MM60343;CC=NNC(C)=CC(=O)O;MYCZDQGSYZUHDF-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60344;MM60344;CC(=O)C=C(C)OC=NO;NZGXXDOFTKYMDY-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60345;MM60345;CCON=C(C)N=CNO;FJBFCOSDOMDMRF-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60346;MM60346;C#CC=COCONC=N;QFRAWHYMUBDPDV-UHFFFAOYSA-N;140.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60347;MM60347;C#CCN;JKANAVGODYYCQF-UHFFFAOYSA-N;55.08;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60348;MM60348;NCC1(F)CC1;RGPSNMVRDPZUDL-UHFFFAOYSA-N;89.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60349;MM60349;CC1(N)C(N)C1N;QMTMUJJFOIMONA-UHFFFAOYSA-N;101.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16274;MM16274;NC(C=CCF)=CC(=O)O;KFZRALSOBPNPDI-UHFFFAOYSA-N;145.13;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60350;MM60350;CNCC(CO)=C(C)C;KKAIUIBNJXXBPM-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60351;MM60351;CN=CNC=NC;PBANAEQITGNHDJ-UHFFFAOYSA-N;99.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60352;MM60352;C#CC=CC(=CCN)CO;IVQDEIZSEGIKHE-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60353;MM60353;N#CC(=O)N=C(N)NC=N;DLNRNHRJTMKDQM-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60354;MM60354;CC(F)=C(C#N)N=CNO;NOPWYKVBNPJXLV-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60355;MM60355;C=CCC(C)(F)CN;JBUXNZSETXNIPD-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60356;MM60356;CC(C)=C(C)CNCCO;UMXMXXVSRAEPFQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60357;MM60357;C=COCC(N)CC(C)O;MBCFOLKOJCTOBD-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60358;MM60358;CC(C)(CN)OC(N)=O;DFGAKBLRAXKOOE-UHFFFAOYSA-N;132.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16230;MM16230;NC(C=CC=O)=CC(=O)O;NHIREFDLFYFTEH-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16118;MM16118;N#CC=CC(N)=CC(=O)O;CXDXDGIXUBMVIG-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60359;MM60359;C=NOC(C)(C)CN;WXPYELZGNUEPLS-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60360;MM60360;C=C(C)CN=CNN;SCKVLZADOYAEPE-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60361;MM60361;C#CC(C=CNO)=NC;KTANTSXMGFMUPK-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60362;MM60362;CC(C#CCO)=CC(C)O;MFIADGGPPWEEJR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60363;MM60363;COCCC=NNCCO;ZPEZSQZPXOHRBN-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60364;MM60364;C=C(NC=N)OC=O;VYURAZLICZDSMA-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60365;MM60365;CC#CC(=N)NNC;KAYRDSHXHFFSRY-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16466;MM16466;CC(C#CCO)=CC(=O)O;FEJNMDZIDNYRHQ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60366;MM60366;CCC(F)(CC)CN;PTAKMXQVNZONCW-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60367;MM60367;CC(F)(C#CCN)CN;GTPVSKJVFXCLRB-UHFFFAOYSA-N;130.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60368;MM60368;CNCC(F)CCCF;PQYWGTWMDZAXML-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60369;MM60369;CC(C#CC#N)=CC(N)=O;DKNLGEZMXSBOCW-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60370;MM60370;NC(C#CC=O)=CC(=O)O;NXEHJPXTSIDBHV-UHFFFAOYSA-N;139.11;-0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60371;MM60371;CNCC(F)CCC#N;VZSZUOKPGJSEQE-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60372;MM60372;CCN(C)N=CCC=O;VGZJNPLFCSBRRV-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60373;MM60373;N=C(N)NN=C(N)C=O;HANVUNFQMIZELM-UHFFFAOYSA-N;129.12;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60374;MM60374;COC(=N)NCCC#N;IDAHTYCHJXAWTP-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60375;MM60375;C=NNC(CC=O)CCO;LBHJSTIMGFONMU-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60376;MM60376;C#CC(=N)NC=CC#N;LAGFAEIVSNTTDZ-UHFFFAOYSA-N;119.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60377;MM60377;N=CN=CN=C(NN)NN;JDLQQPNJTUUFNC-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60378;MM60378;CC(=CF)N=CNC=N;PTPUVQAJVLJEHI-UHFFFAOYSA-N;129.14;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60379;MM60379;C=CC(CON=C)C(N)=O;UHCRLWJSRRMIHQ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60380;MM60380;C#CC(=N)N(C)NCC;CQHSZYVBMZAAJC-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60381;MM60381;C=NNCC(CC=O)OC;JUQBOVOGCSFSQQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60382;MM60382;CC=CC(C#N)NC=N;ASUXDDQSXHARCQ-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60383;MM60383;C#CC#CC(=CF)CN;UZIWZBMUIATVJJ-UHFFFAOYSA-N;123.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60384;MM60384;CCC=NNCC(N)=O;KPWKDCOXQJGAMO-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60385;MM60385;C=NNC(=N)NC(C)=NC;HZMQYFXJRGUJSE-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60386;MM60386;CNN=CCC(C)(F)CN;HHTLOXBNZBSYOB-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60387;MM60387;CCC(C)(O)C(C#N)CO;PXEXLIOSGAYIGL-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60388;MM60388;C=NNC(=NC)N(C)N;CQJOIAKYCFJPIJ-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60389;MM60389;CCC(C#N)C(C)(O)CO;QITVXGXGVZWPLT-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60390;MM60390;COC=NOC(C)(C)CN;UTZPJYAEVDZGEH-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60391;MM60391;C=C(C)CCC(F)CNC;NOQZTPFMSWCUCE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60392;MM60392;N#CC(CF)C(=N)N;IRJYCESJNIUPLZ-UHFFFAOYSA-N;115.11;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60393;MM60393;CN(C)C=NN(C)CC#N;JAZMMUKNFICFKI-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60394;MM60394;COC(C)(C)C(C#N)CO;BXZZAFPVZLDVQL-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60395;MM60395;CC=CC(N)CC(=O)OC;JQKRABYDJVVVQM-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60396;MM60396;COC(C=O)C(C)(C)OC;MYKWNBOYHZQJDH-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60397;MM60397;COC(C#N)C(C)(C)OC;BSICYNZBMUDNAI-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60398;MM60398;CN=C(C)NC(=N)COC;SXQRZOGQVJLCJW-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60399;MM60399;CNN=CCC(C)=O;CLNDIORYHRJZCP-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60400;MM60400;CC(=O)OC(C)C(=N)NN;BKZGIXTVHRJPLS-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60401;MM60401;C=CC(N)C=CCCO;IHVQPDCLSDXWGD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60402;MM60402;CC=CC(C(N)=O)C(C)N;UHVYKFWZPWNKQQ-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60403;MM60403;CC=CCC(N)CC(N)=O;CYKGMOHYUBOMRF-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60404;MM60404;C#CC(=N)N(C=N)C(=N)N;JJEMIWZEHQTVQA-UHFFFAOYSA-N;137.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60405;MM60405;CC(C)=NNC(C)C=O;BZNIXSJQRONEBK-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60406;MM60406;C#CC(CC)C(C)(O)CO;NDZLZJYLKPSLTJ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60407;MM60407;C#CC(=NC=C)NC(C)=N;RHABDRBHYLHYSU-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60408;MM60408;CNCC(F)CCC=NN;YDWVZNCTMFORAJ-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60409;MM60409;C=CC(F)(CN)C(C)NC;SGVGDPXNDRYKBN-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60410;MM60410;C=NNCC(C)OCC=O;YRHAQTLODFSPDG-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60411;MM60411;CCC#CC(N)(CN)CF;IQABINJCERJKAX-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60412;MM60412;CC(C)(CO)C(C#N)C#N;HDVZGKBBVOUZDS-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60413;MM60413;CCC(F)(C#CCN)CN;RDYCGOLZPPKEAB-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60414;MM60414;CCC(C)(O)C(C#N)C#N;QCDLURKNSUPFHT-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60415;MM60415;CC(O)(CO)C(C#N)C#N;OOLPDUVJNJDEDB-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60416;MM60416;CC(O)(CF)C(C#N)C#N;DYVCNGLOQTXSIN-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60417;MM60417;N#CC(C#N)=CNC=N;ZIWQRLKIAVBLIS-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02868;MM02868;COC(C)(C)C(C#N)C#N;BMBUYHQMVXKVDF-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60418;MM60418;C=CN(C=O)C(C)(C)CO;MILKUZVCBZJDHT-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60419;MM60419;C=NNCC(OC)C(C)=O;DEWYORXHYZNKGP-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60420;MM60420;CON=CNN=CC(=N)N;SKFUUWFAJINRIM-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60421;MM60421;C#CC(C#C)(C=O)CNC;JPZLZMOOPDBNSB-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60422;MM60422;CNN=CNN=CC(=N)N;CZDVOGIZVWWWGM-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60423;MM60423;C#CC(C#C)C(C)(O)CO;UXUHQCZZPSRKKZ-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15345;MM15345;C#CC(C#C)C(C)(F)CO;NRIJUTQGJMBFGM-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60424;MM60424;CC#CC(CN)(CF)NC;ZOUWVEFZOPNRDC-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60425;MM60425;CC(O)(C#N)C(CO)CO;LVXSWDSATGIIFV-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60426;MM60426;N=C(N)C=NNC=NN;RPGWYDZQMAULLC-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60427;MM60427;CNN=C(C=O)C=NOC;MPAUDMKMSOQYBW-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60428;MM60428;COC(CO)C(C)(C)C#N;ZUTZZLHTZWHMSO-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60429;MM60429;CC(C)(C=O)C(C#N)CO;DFHRXCRJQTYFJI-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60430;MM60430;CC(C)(C#N)C(C#N)CO;PAICFGQLDNCBLB-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60431;MM60431;C=CC(CO)C(C)(O)C#N;KHXKSEUKHOALKE-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60432;MM60432;CC(O)(C#N)C(C#N)CO;VWJJBLSOTYZOGR-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60433;MM60433;CC(O)(C=O)C(C#N)CF;IXYBNTKQXYJOLF-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60434;MM60434;CC(F)(C#N)C(C#N)CO;UETVHMMUJCVGTF-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60435;MM60435;C#CC(C#C)(C=C)C(=N)N;QLZYFAQICYPKMJ-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60436;MM60436;C=CC(=NNC)N(C)N=C;YHFHHEFVPNTUAS-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60437;MM60437;CNC(CF)CC=C(C)C;PUEHTWGWLIVEIL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60438;MM60438;CN=C(NC)NOCC#N;GCSMJESXBZVMQF-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60439;MM60439;N=CNN=CC(=N)N;JFSTXLCBPNCSFW-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60440;MM60440;C#CC(=N)N(C)C(=N)C=C;ASMZQGRQPUKAOS-UHFFFAOYSA-N;135.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60441;MM60441;C=C(C#CCN)C#CCN;FHOFXNSHNOBALM-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60442;MM60442;COC(C#N)C(C)(O)C#N;NJHDNHNUOFOSCF-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60443;MM60443;COC(C#N)C(C)(F)C#N;ASYGPDNOCADGPB-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60444;MM60444;C=COCC(=N)N(C)C=N;FWEULRWIBDSZDD-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60445;MM60445;CON(C=O)C(C)(C)C=O;KFSFPJUAKVRGLO-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60446;MM60446;C=CCOC(=N)N(C)C=C;NWHMHPBXOZCBLF-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60447;MM60447;C=NNCCOCC(C)=O;MIXUFAYQNWQRTC-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60448;MM60448;C#CC(CO)C(C)(O)C=C;MJOTVYRXLCHOPF-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60449;MM60449;C#CC(CO)C(C)(F)C#N;KXKOLYOIVNFJRS-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60450;MM60450;CC(=O)C(C)OC(=N)N;PBVGELHJCQCVQB-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60451;MM60451;C#CC(OC)C(C)(O)C#N;HNCQEIOLCQPUBI-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60452;MM60452;C=CC(C)(O)C(C#N)C#N;TYMYQEWMSFZQOR-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60453;MM60453;CC(O)(C=O)C(C=O)C=O;TZVTYJHWGVHNQV-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60454;MM60454;CC(O)(C#N)C(C#N)C=O;QGZJCCDAKXLMBE-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60455;MM60455;CC(O)(C#N)C(C#N)C#N;ZNFVKPSFUIMRFM-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02091;MM02091;CC(F)(C#N)C(C#N)C#N;OCDPYTSLSFBQEK-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60456;MM60456;C=NOCONC(C)=NC;WTNSNTBABOHEMJ-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60457;MM60457;COC(C)=CCN=CNN;INBDEAOSZRFFJK-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60458;MM60458;C#CC(F)=CN=CNC=N;FAWXNCIIWBLOGX-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60459;MM60459;C#CC(N)C(=CF)NC=N;XWUYIWTXMUNCPD-UHFFFAOYSA-N;141.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60460;MM60460;C=NNC(CN)COCC;TUMYKTAKJIHCNB-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60461;MM60461;C#CC(C=O)C(C)(O)C#N;SCXPHJJHQVHQAE-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60462;MM60462;C#CC(C#N)C(C)(O)C=O;DADLSEOKZAVSPM-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60463;MM60463;C#CC(C#N)C(C)(O)C#N;HSBVBZJMYQKUFW-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60464;MM60464;C#CC(C#C)C(C)(O)C=O;NRWGUHWJPFJXQF-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60465;MM60465;C#CC(C#C)C(C)(O)C#N;FIXDYSNOZBQZTM-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60466;MM60466;C#CC(C)(C)C(CO)CO;FBGIXBOWELTOSM-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60467;MM60467;C#CC(C)(O)C(CO)CO;YRPKBWOEMDXHGH-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60468;MM60468;C#CC(=O)C(N)=NC(=C)C;KZNDSKSZONWJGH-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60469;MM60469;CC=NNC(CN)COC;SWONSAXMHWLNLZ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60470;MM60470;C=CNC(CC#N)=NOC;MNJJJTOJUCOBGO-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60471;MM60471;CN=CN(CCC#N)NC;UVXBMRNEVVFWIL-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60472;MM60472;C=NNC(=N)C(F)=CNN;SBPROUUTPCBBQX-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60473;MM60473;CCC=CC(C#N)NC=N;TYMYATHAQXXLRV-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60474;MM60474;C#CC(C)(O)C(CC)OC;MXBLYWSMVLUFPU-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60475;MM60475;C#CC#CC(CNC)NC;YGIGBQOKSHQQKR-UHFFFAOYSA-N;136.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60476;MM60476;CNC(CF)CC=CC#N;JTGLAEYIEZPEBY-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60477;MM60477;C=NNCC(=NN)OC;OLYLKXWYAWLSIP-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60478;MM60478;CC#CC(=O)CN=CN;HIVVCUBTFMGJBJ-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60479;MM60479;C#CC(C)(O)C(C#N)CO;GWOYUCCTMWCYPA-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60480;MM60480;C=CC=CCN(C=N)C=N;YZUCUIKOOXXIEZ-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60481;MM60481;C#CC(C)(O)C(C=C)OC;GKIQCRWHJNVKCU-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60482;MM60482;C#CC(C)(O)C(C#N)OC;MGMAXOHRNDEFRO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60483;MM60483;N=CN(C=N)CC=CC=O;HAVOWVNVCGISFD-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60484;MM60484;CCC(=N)NN=CC(=N)N;SVKLKNJWYFECMR-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60485;MM60485;C=NNC(=N)OCON=C;HLFHBZIFFMRTTF-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60486;MM60486;CNCC#CC(OC)OC;MHPBCPZRZDPWNN-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60487;MM60487;C#CC(OC)C(C)(O)C#C;VGSXFDIIEUUEQB-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60488;MM60488;C#CC(C)(O)C(C#N)C=O;UKEHLBXMLVHCDJ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60489;MM60489;C#CC(C)(O)C(C#N)C#N;ODPGMWVTXUMUAR-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60490;MM60490;CCC(C)(F)CN;HIZDBGWBBUYSNP-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60491;MM60491;C#CC(C)(C)N(C=O)C=O;VGSRCLIXKLOLCP-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60492;MM60492;C#CC(C=O)C(C)(O)C#C;CFXMLHBFZQBOBK-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60493;MM60493;CCCC(C)(F)CN;YQULVMFTZPDEPM-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15371;MM15371;C#CC(C#C)C(C)(O)C#C;GHGMROCTLHGGLG-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60494;MM60494;CC(F)(CN)CCF;WMBXVAIZSVRBLN-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60495;MM60495;CC=C(CO)C(C)(O)CO;ORHFIHKGEUZLDU-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60496;MM60496;CC(C=NNC(=N)N)=CF;SSZHWKOCOMKYAZ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60497;MM60497;C#CC#CC(N)CN;YFSBURARUMPCLM-UHFFFAOYSA-N;108.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60498;MM60498;C=CC(C#N)NC=N;YZNLRCYMRAIJKX-UHFFFAOYSA-N;109.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60499;MM60499;CNC(=NO)C(C)(C)OC;YHKQVIIUIPGPAI-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60500;MM60500;CC=C(C#N)C(C)(O)CO;JWNNJUKAIGDNSZ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60501;MM60501;CC(O)(CO)C(C#N)=CF;PAWFKFLXVVIXEA-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60502;MM60502;C=CC(=C)C=NNC(=N)N;QNWKXGJNPCPDNI-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60503;MM60503;CCC(C)(O)C(C#N)=NO;QQBMQCFNGJYRMR-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60504;MM60504;CC(O)(CO)C(C#N)=NO;SVXQFUSFPKUNGX-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60505;MM60505;COCC(N)C=C(F)F;FNMSFDXCERCVDT-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60506;MM60506;CC(F)(CN)CCCF;PVPXXOGPLYIVCV-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60507;MM60507;C=CC(N)CC(=O)OC;MMBDGWVDRPBGMZ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-hydroxyimino-3-methoxy-3-methylbutanenitrile;MM03524;COC(C)(C)C(C#N)=NO;OUNQMEAWCHUFCB-UHFFFAOYSA-N;142.16;0.77;71413883;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60508;MM60508;C#CC(=N)NNC=NC;IIJAPAWOPRKPQS-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60509;MM60509;CC=C(CO)C(C)(O)C#N;FFMCPKUQUQUBOR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60510;MM60510;C#CCCNC(C)=NNC;DHBIWSCTROLKME-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60511;MM60511;C=NNC(=N)OC(C)C#N;VQXBOURDHWKTJQ-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60512;MM60512;CC(O)(C#N)C(C#N)=CN;RYZRQTQGYBUSMZ-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60513;MM60513;CC(O)(C#N)C(C#N)=CF;YDOBXMLQKLIFCC-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60514;MM60514;C=CCC#CC(=N)NN;GJABFFPDTRCAES-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60515;MM60515;CC(C)(C#N)C(C=O)=NO;XDTFTZDQDYTHRQ-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-hydroxyimino-2,2-dimethylbutanedinitrile;MM03482;CC(C)(C#N)C(C#N)=NO;MWTWRGKCZKNZLT-UHFFFAOYSA-N;137.14;0.89;85549982;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60516;MM60516;C=CC(=NO)C(C)(O)C#N;OVNYYGMMKUEELX-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60517;MM60517;CC(O)(C#N)C(C#N)=NO;HXSRWMUGBLLYAK-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03168;MM03168;CC(F)(C#N)C(C=O)=NO;NPFJQBHHXXGMHS-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16128;MM16128;CC(F)(C=O)C(C#N)=NO;DJTSFJIDSCORBO-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16101;MM16101;CC(F)(C#N)C(C#N)=NO;XGJUEPIAHCOKGK-UHFFFAOYSA-N;141.11;0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60518;MM60518;C#CC(=NO)C(C)(C)C=O;ZXRWASWLVZUVPD-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60519;MM60519;C#CC(=NO)C(C)(O)C#N;ADUIEJJLRGPHFO-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16453;MM16453;C#CC(=NO)C(C)(F)C#N;KTPNUFQVYXIHNV-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60520;MM60520;C=NNC(=N)C=NN(C)C;CZTVWWPECOWLBH-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60521;MM60521;C#CC(C)(C)C(CO)=NO;DSSRPDKUNTVBLD-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60522;MM60522;C=CCN(C=N)CC#N;JRRAMCZJHGSLCD-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60523;MM60523;C=CC(=O)CCON=C;OKGSPZHOPHMDTH-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60524;MM60524;CN(C)C(CCF)=NN;QXSJZOVADOBLFF-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60525;MM60525;CC(C)C(C=O)N=CN;JQFGUAZQYHVSBT-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60526;MM60526;C#CC(C)(O)C(C#N)=CN;ABGRZUKSWDIASA-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60527;MM60527;C#CC(C)(O)C(C#N)=NO;HBQQLWDUICKVHD-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60528;MM60528;C#CC(=NN)C(C)(O)C#C;WSKARTQKGKWXHO-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60529;MM60529;C#CC(=NO)C(C)(O)C#C;DNJSCCCPRBDYQN-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60530;MM60530;CC=CN(C=N)CC#N;IJUCJMKEPSOSTF-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60531;MM60531;CCN(CC)N=CNC;HDUULWNVGZHMOY-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60532;MM60532;C=CNC=NOC(=O)OC;YETKTQJUZCWQAB-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60533;MM60533;CC(F)C(C)(N)CN(C)C;QNRMQXVCQWSQHE-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60534;MM60534;CCC(F)CC(C)(F)CN;SLBDCSYDKPBNHZ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60535;MM60535;COCCCC(C)(O)CO;XITOOULHRMZMNW-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60536;MM60536;CC(F)CCC(C)(F)CN;VZZUMJJSNVLGIH-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60537;MM60537;CNN=COC(C)(C)CN;JOWXWGPHBFMYEN-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60538;MM60538;CNN=C(C(=N)N)C(C)C;ORBNCZKLPJKEOK-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60539;MM60539;CCOCCC(C)(O)CO;IJZNRBRMZBTKBG-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60540;MM60540;C#CC(C)(N)C(N)C=CF;NGXUDHMRLZYWPY-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60541;MM60541;C#CCN(C)N=CN(C)C;GCCRREBNURLTJF-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60542;MM60542;C#CC(C)NCCN(C)C;MCBDOPXYJZGJDX-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60543;MM60543;C=CC(N)CC(=O)OCC;GWEQMFFMXGCPJZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60544;MM60544;CNCC(F)C(C)C(C)C;KGUWLUCNJJFSPB-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60545;MM60545;C=C(C)CC(=NN)C(=N)N;UWCWBBALLINOBJ-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60546;MM60546;CN=C(C#N)NN(C)C=N;NHPOFRLCITXHPE-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60547;MM60547;CCC(C)(O)COCCO;LZEFLPFLUMQUPG-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60548;MM60548;CCC(C)(O)COCOC;VNHCHFXHLSAZMJ-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60549;MM60549;C=NOC(C(=N)N)C(C)C;RFGHGYWBXGLWAH-UHFFFAOYSA-N;143.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60550;MM60550;C=NNCC#CC(C)(C)N;COJFHTBBTVXCLI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60551;MM60551;CC(C)=CCN(C=N)C=N;QNTWWLWIYPDRQR-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60552;MM60552;N#CC(C#N)CONC=N;FVMNBZOLJYYFMA-UHFFFAOYSA-N;138.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60553;MM60553;CC(N)C=NOC=NO;IRZKUKQLPIZHDO-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60554;MM60554;CC(C)(CO)OCCCO;PSRZZPSPOOJXGC-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60555;MM60555;C#CC(F)C(=O)NNC=N;QGPJAAWZTCVICN-UHFFFAOYSA-N;143.12;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60556;MM60556;C=CCCNCC(F)CN;LNGWAFBMHMNWPT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60557;MM60557;COC(C)(C)OCCCO;VHJNGWOANONYCN-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60558;MM60558;C=CCNCCC(=O)OC;DEYVYXCZEYFXJG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60559;MM60559;C#CC(O)(C#C)C=CCN;LQBPXYLFAMCRIR-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60560;MM60560;NCC(N)C#CC#CCF;JIXPVUBSQONUIX-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60561;MM60561;C#CC(NN=C)C(C)=NN;VFISFTUIGSPACN-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60562;MM60562;C#CC(O)(CC#N)C(=N)N;XSUILZPKKFXQDZ-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60563;MM60563;N=CNC=NC=C(F)C=O;ZLTAHIADSHDAAO-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60564;MM60564;C=CC(O)(C=O)C(C)NC;MCETUIWKMMHMSG-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60565;MM60565;CC(=CCN)C(C)(O)CF;GLGHLXSVAJLPEA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60566;MM60566;COC(C)C(=CF)NC=N;XTHFYELYLLYVRY-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60567;MM60567;CC=CC(O)C(=N)N(C)N;GXKXKQQYUHBUTN-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60568;MM60568;C=CC(CC#CCO)NC;NOMGGTLTPADRLI-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60569;MM60569;CC(C)(O)C(F)=CNC=N;MQTCSQNSAFWFSN-UHFFFAOYSA-N;146.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60570;MM60570;CCOC(C=O)=CN=CN;GRTGATASMOAFJQ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60571;MM60571;CC=NN=CC(O)CNC;VGXVQOIMVBADRQ-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60572;MM60572;C=CC(C)(O)C(C)=CCN;QJBKUXQFWXVELL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60573;MM60573;N=CN(C=N)CC=CCF;YIYRBTGOKAHVJW-UHFFFAOYSA-N;143.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60574;MM60574;CC(=CCN)C(O)C=CF;YURLROFBWGKXMN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60575;MM60575;N#CCC=CN(C=N)C=N;GUTDDZCBIKYFFP-UHFFFAOYSA-N;136.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60576;MM60576;CC(C)(CO)COCC=O;FESGDSUVFRBUFT-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60577;MM60577;CC(C)(CO)COCC#N;AGLTUIYEGFFBKI-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60578;MM60578;CC(O)(CO)COCC#N;PLNGUJWPJWHAPW-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60579;MM60579;CC(F)(CO)COCC#N;JKXNZSCUETZRRL-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60580;MM60580;CC(C)(F)CN;YRCWDUIBSJKELW-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60581;MM60581;COC(C)(C)COCC#N;FJNFACCGXCCZGN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60582;MM60582;NC1(CF)CC1;VCNKCWHQFSVVPH-UHFFFAOYSA-N;89.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60583;MM60583;CNCC(F)C(C)C;XEFXMRLYJVRINC-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60584;MM60584;COC(C)(C)CONC=O;JKFLDNWCRQLORR-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60585;MM60585;CNC(CO)=NC=COC;ZXMZBWZLUHLFAW-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60586;MM60586;CC(C)(CO)OCCC=O;JGIDZWGMDOQFAF-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60587;MM60587;CC(C)(CO)OCCC#N;LFJPNKKQBUBZIE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60588;MM60588;COC(C)(C)OCCC#N;JGFKKQKQVWOXEB-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60589;MM60589;C=COCOC(C)(C)CO;PHSPQHXUWBYHOS-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60590;MM60590;C=COCOC(C)(C)OC;RCAGWNFVIOUTSO-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60591;MM60591;COC(C)(C)OCOC=O;IQFYSIVIMRPHSE-UHFFFAOYSA-N;148.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60592;MM60592;CC(C)=CN(C=N)C=N;JRKBIRVCEUXZCL-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60593;MM60593;NC(C#CCF)CCF;GBWLQXFNKAWEGS-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60594;MM60594;NCC#CC(N)C=CF;YFEJQJHYUHYVTH-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60595;MM60595;C=CC(NC)C(O)C(C)C;NNQQWUVIBJGEBF-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60596;MM60596;CC(=CCN)C(O)CCF;FRSBUKJFPXCEDG-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60597;MM60597;C=C(C)C(N)COC=O;LQUROKVFUWNCEX-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60598;MM60598;C=CCNCC(O)C(C)C;MWJZMCXATZJTRT-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60599;MM60599;CNCC#CC(C)=CF;GMYOYGOEICBJRK-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60600;MM60600;C#CCOCC(C)(O)CO;FSIXGDGLOKTLTG-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60601;MM60601;C=CC(N)C(C)OC=O;IATWXAJURDBYKZ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60602;MM60602;C#CCOCC(F)(F)CO;DMYMLAZRGHWAMX-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60603;MM60603;CN=C(COC)N(C)N;BBGAIEDPSVCORY-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60604;MM60604;CC(O)(C=O)CCCCO;SODKYKFUQNMDQJ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60605;MM60605;CC(N)(C=C(F)F)CO;LZQOKGXBCLFSBA-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60606;MM60606;COC(C)(C)C(N)C(C)O;RHGHGGMGURGOMN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60607;MM60607;C#CC#CC(CN)OC;IXQURNRGJQYCRT-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60608;MM60608;COCCCC(C)(O)C=O;PJSGHBIVHFVHIC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60609;MM60609;CNCC#CC#CCN;VUPLWCVGJRRPAK-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60610;MM60610;C#CC(C)(CNC)OC=O;NJAUUQORFCMDFJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60611;MM60611;C#CC(N)(C#CC)CNC;MCCCYZIFOXCHTO-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60612;MM60612;COC(N)=C(F)C=NN;IEKBENGETQRTHB-UHFFFAOYSA-N;133.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60613;MM60613;CC(C)(C=O)COCCO;YNNFWFKDTJUNIZ-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60614;MM60614;CC(C)(C#N)COCCO;OYRDVBRWFHURDM-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60615;MM60615;CCCOCC(C)(O)C#N;XLNMAVAYIFVLLN-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60616;MM60616;CC(F)(C#N)COCCO;XIWFQEHQIXCYER-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60617;MM60617;CNCC(F)CNC(C)C;YVPWYHFVTAAFSW-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60618;MM60618;C=CC(C)(F)COCOC;HHLFATUBIVQKIV-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60619;MM60619;COCOCC(C)(F)C#N;BNBZOLSPTMRIMS-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60620;MM60620;C#CCC(=C)C(N)C(C)O;ALFULAKBXHUUBO-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60621;MM60621;CC(O)C(=CCN)CF;AARQOFOHVJQJLY-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60622;MM60622;C=CCC(=N)NC(=N)CF;DQTUEQNCDNNZKG-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60623;MM60623;C=CCNCC(N)C#CC;BXLIAUCJLUQUDX-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60624;MM60624;CC(C)(C#N)OCCCO;BJKNGHNDIMWROP-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60625;MM60625;CCNN=C(NO)C(=N)N;NZANEOJSXBUFIH-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60626;MM60626;CC(O)(C#N)CCCC#N;WWEDFDGKSONVPB-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60627;MM60627;CC(F)(C#N)CCCC#N;OSVRBHWOVMSALI-UHFFFAOYSA-N;140.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60628;MM60628;C=CC(C)(O)CCNC=O;GNVXMJYVMFUVHV-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60629;MM60629;C=NN=CCC(F)CNC;BGAVHGMFNSAWLY-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60630;MM60630;C=NNC(C#CC)COC;KDRUVXKLIVIMDB-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60631;MM60631;C=C(C#CC=NN)CNC;XLQFEMWJLCYCGY-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60632;MM60632;COC=C(C)N=CNC=N;HGVHCKADWMLVDJ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60633;MM60633;CC(C=NO)=CC=NN;JXPQGBRRDAGIKM-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60634;MM60634;CC=CC(=N)N(C)O;GQZURPKNHIQVGQ-UHFFFAOYSA-N;114.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60635;MM60635;CCC(O)CNCCOC;WISNSHIXKMTMDM-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60636;MM60636;C#CCC(N)C(F)C(C)N;NKVNLFNJWBMMFK-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60637;MM60637;C=CC#CC(N)(C=C)CN;GVUAPAGWOHTYQV-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60638;MM60638;CC(=CCN)C(C)O;RDMQMLQBSGCUIY-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60639;MM60639;C=NNC(=O)NC=N;HJNIMRPHENUMCB-UHFFFAOYSA-N;114.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60640;MM60640;CCNCC(F)C(C)NC;CJGUOGYPILGLTF-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60641;MM60641;CC(C)(C=O)COCC#N;OSCOTCQFEQEWCM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60642;MM60642;C=CC(C)(O)COCC#N;BKKUCIZYCSSBJP-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60643;MM60643;C=CCOCC(C)(O)C=O;RSRIFQNCYCKTCA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60644;MM60644;CC(O)(C=O)COCC#N;BTKVXKCAJFTVLZ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60645;MM60645;CC(O)(C#N)COCC=O;WFIABPQZQJEDBY-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60646;MM60646;CC(O)(C#N)COCC#N;ZXEJORSAWOWDJA-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60647;MM60647;CC(F)(C=O)COCC#N;BIUBMDWUEUSOQY-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60648;MM60648;C#CCOC=CN(N)C=N;KKVMGPDBXTZOBL-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60649;MM60649;CC(C)(C#N)CONC=O;RQBFSVKGVMYOOX-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60650;MM60650;CC=CC(C)(N)C(N)CO;QRLQBLXSVBOOKT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60651;MM60651;CC(C)(C#N)OCCC#N;GLZKYNWGQUZPQQ-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60652;MM60652;CC(C)(C#N)OCOC=O;NGAOHRUBUKIWEZ-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60653;MM60653;C#CC(N)C=CC#CCN;SVHDHDHXQQVWQT-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60654;MM60654;C=NNC(CN)C(=C)CC;WBBCTXQFEVKTFB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60655;MM60655;C=NN(C)C(C=CC)CN;YMTLDESSSQNASF-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60656;MM60656;C=CC(F)C(=CCN)CO;BSJMXVAAHVFHQN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60657;MM60657;CNC(CO)C(C)=C(C)C;URPYJJQRLRJCMU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60658;MM60658;COC(C=NN)C(=N)NN;ZMQKIJLVFZFLCO-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60659;MM60659;C#CC(=C)N(C=N)N(C)C;MSCZOELDWWUTFH-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60660;MM60660;C=C(C)C(CN)NN=CC;LEYOJPXCIRWVJY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60661;MM60661;C#CCOCC(C)(O)C#N;AHBFBXPHLJWBTL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60662;MM60662;CCOCC(=NC)N(C)N;XRPDKENHICHZTQ-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60663;MM60663;C=CC#CC(CN)N(C)C;OZIQUTSPZIFEAX-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60664;MM60664;CCC(F)C(=CCN)CO;HCMCLUNGPIXEIP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60665;MM60665;C#CC(=CC)N(C=N)NC;AQIBXKYWXUEQIS-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60666;MM60666;C=CC(CN)N(C)N=CC;PNGOBQTWXCBMPE-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60667;MM60667;C=C(C)CC(F)CNC;AROKPLFDUGCNLA-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60668;MM60668;C=C(C=O)NC(C)=NC;NOBITUQWTXPXTQ-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60669;MM60669;CC(C)C#CC(=N)NN;HBRFXHIKUWYOET-UHFFFAOYSA-N;125.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60670;MM60670;CC(CN)=C(C=CF)CO;TUAWBXBJRAWZDN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60671;MM60671;C#CC(C)(O)CCCC#N;PWWBYWBZGCBHIA-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60672;MM60672;C=C(C)C(CO)=C(C)CN;VMTKHWNRJAFSLL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60673;MM60673;CC(F)=CN=CNC=N;FRTHOXPTMKFXLL-UHFFFAOYSA-N;129.14;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60674;MM60674;C=C(F)CC(=CCN)CO;MEQBLXXMPVLAGY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60675;MM60675;CCC(=CCN)CO;IAKTZBVAUAQJFY-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60676;MM60676;CNCCOC(=O)OC;ANPNIBALSJVCLZ-UHFFFAOYSA-N;133.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60677;MM60677;C=CN(C)C(=N)OCC;SCNHRFLFJFXUSA-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60678;MM60678;C#CC(C)(O)COCC#N;XLVULZGIYFANOO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60679;MM60679;C=CC(C#N)N(C)C=N;ABZZNGZWOSLPRV-UHFFFAOYSA-N;123.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60680;MM60680;C#CC(C)(F)CONC=O;IVHJCAXDBBALFC-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60681;MM60681;C=CC(C)(C=O)CN(C)C;NFQUPVJNRKWHFX-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60682;MM60682;CC(C)(OC=O)C(=N)NN;ZKBRRDZBHQWJHM-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60683;MM60683;C#CCOCC(C)(O)C#C;GFUXOFHRBIVZBK-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60684;MM60684;CC(O)(CO)CCC=NO;ACJRLNQEFSYGPY-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60685;MM60685;C=CCC(=CCN)CO;IYLNUZBLPQOTHW-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60686;MM60686;CC(=CCN)CO;SDRVOWGRWVHHKJ-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60687;MM60687;C=CC(C(=C)CN)C(C)O;QLKHOHKGRKAMBY-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60688;MM60688;C#CC(=C)C(C)(N)COC;QURMSUIPZHGHFW-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60689;MM60689;C=NNCC(C)(N)C(=C)C;OOMZNLDBGSJGHU-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60690;MM60690;C=C(C)OCC(N)COC;FDUWSRXFEKUOFB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60691;MM60691;CC(O)C=C(CN)CCF;WVVGQQFZVQICGF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60692;MM60692;C=CCC(=CC(C)O)CN;UKISRIUGMDRVAZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60693;MM60693;CC(C)=CCNCC(C)O;WDPRQWVRFDNLQT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60694;MM60694;CC=COCC(C)(O)CO;PVNRUMPVJFJMHE-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60695;MM60695;CC(O)(CO)COC=CF;KPMSIPOCGZPYMF-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60696;MM60696;CC(C)(CO)COC=NO;DKVSUQKTTYZSAR-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60697;MM60697;CCC(C)(O)COC=NO;GFQGOZSWECZKOM-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60698;MM60698;N=CNC=NCC(F)F;XQOAKPLGAZPVMY-UHFFFAOYSA-N;135.12;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60699;MM60699;COC(C)(C)COC=NO;QTHZHTOCUAACSF-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60700;MM60700;CC=C(CN)C(CO)CF;ZYMWXGFJAJQURG-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60701;MM60701;C=CCC(=N)NC(C)=O;OTIJXCOQKFXEEZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60702;MM60702;C=CC(=C)CC(F)CNC;JBGVRVVNWJUPTJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60703;MM60703;C=CC(CO)CN(C)C;QVMNCKPZJLIDLW-UHFFFAOYSA-N;129.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60704;MM60704;CC=NN(CCO)C(=N)N;XCXVJWLMGLAMSB-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60705;MM60705;CC(C)(CO)OCC=NO;SBBAQUGNXUOENC-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60706;MM60706;C=C(C#N)CC(F)CNC;MQMNJZCBHQTVQG-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60707;MM60707;COC(C)(C)OCC=NO;UZPJPALSTUNRPV-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60708;MM60708;CC(O)CC(=CCF)CN;ALEPPKUDAWNCEM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60709;MM60709;C#CC(=C)CC(F)CNC;PAUUJZTWJHZGHX-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60710;MM60710;CC(C)=C(CN)CC(C)O;LJUGEKMQKKLOCL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60711;MM60711;C=COC(C)CNCCO;YDJAZKVNJHMNAZ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60712;MM60712;CC(F)(C#N)CCC=NO;QBTCYSFBILWDKP-UHFFFAOYSA-N;144.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60713;MM60713;C=C(F)CC(=CCO)CN;VIMBUGCOHHBJEI-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60714;MM60714;CNN=C(CCO)C(=N)N;CCFRCCCYXDTDBF-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60715;MM60715;C#CCNC(CC)=NO;KHUOUOHXIVIVQY-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60716;MM60716;CC=COCC(N)CCO;SFMPQJIKTXKTJH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60717;MM60717;C=CC=C(CN)CCO;FPTAKZJHESFIJS-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60718;MM60718;CCNC(C)C(F)CNC;XMIRYAIESJNXJQ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60719;MM60719;CC(C)(C=O)COC=NO;RHFLSDWXPIXIKP-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60720;MM60720;C=CC(C)(O)COC=NO;MPTPALLXPOECIA-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60721;MM60721;CC(F)(C=O)COC=NO;JXOMMRNSJOEUDM-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60722;MM60722;CC(F)(C#N)COC=NO;QMTGNCJWLVWGPJ-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60723;MM60723;CC(C)=C(CN)CCO;OPOSCJQJPFHXEK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60724;MM60724;CC=NOCC(C)(O)C#N;IUPRXZALFPRUEQ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60725;MM60725;C#CCC(N)C(C)NN=C;AENIIVNVVBZHFA-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60726;MM60726;CCCNCC#CCCO;RHCHKYKMNFLDHK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60727;MM60727;C=CNC(=N)NOCC#N;KRPDMUQLEMNPDO-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60728;MM60728;CC(C)(C=O)OCC=NO;NDPMSGAMQXGPDI-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60729;MM60729;C=COC(C)C(=N)NC=N;ZMZZPZLXDCSCCC-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60730;MM60730;C=NNC(=NCC)N(C)N;RRJWUIQZYKJZQT-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60731;MM60731;CC=C(C=CCN)C(N)=O;NOSIEJSSGFPODZ-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60732;MM60732;C=CN(C)C(=NC=O)NC;MXKVAKZDPHHDRE-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60733;MM60733;C=C(C)CNCCC=O;NTLIFQALPSETRY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60734;MM60734;CNCC(=COC)CC=O;BWAULTMHUSWZKH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60735;MM60735;C#CCNC(=N)NN=C;LWHCJUQLEWWDHF-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60736;MM60736;C#CC(C)(O)COC=NO;QHCMKVPGGDXXMP-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60737;MM60737;C#CC(C=C)C(=N)N(C)N;RGHARYYEDSKWBH-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60738;MM60738;CCN(C=NNC)C(C)=N;PFRFEBGXRFNWGL-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60739;MM60739;CCNC(C)C(=O)N(C)C;VJNZEIKPZOKGLX-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60740;MM60740;CCCNC(C)(C=O)CC;DJDDVQSYSQUSBP-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60741;MM60741;C#CC(C#CC(C)N)OC;HCJJMOKXCNFBPO-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60742;MM60742;C=CC(CN)NN=C(C)C;AXLRJWRHVHZCRI-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60743;MM60743;C#CC(=O)N(C)N(C)C=N;DUXDAPBZAZOVQM-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60744;MM60744;COC=CCC(C)(O)CO;FGDZVTVFOKLIML-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60745;MM60745;C=NN=C(NN)C(=N)NC;OKNZVUZKPHVNNV-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60746;MM60746;C=CNC(=NN)N(N)C=N;SWYBEHUCHZKSLM-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60747;MM60747;CC(=CF)C(N)C#CCN;OYLFYQOBDNHIPE-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60748;MM60748;C=C(OC)C(=NN)NC;GEDPPSSNUKNAIU-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60749;MM60749;ON=CN1CC1;STVYQARWPAOMSN-UHFFFAOYSA-N;86.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60750;MM60750;C=CC(=N)NOC=NOC;SBHBUWBYOSMLGI-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60751;MM60751;CCON(C=CF)C(=N)N;WDGZNCZKBHNKEQ-UHFFFAOYSA-N;147.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60752;MM60752;C=NOCC(O)(CC)CO;USFDODSNIAJSKK-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60753;MM60753;C=COC(CCN)=NNC;LVZYVTFMEYWHCL-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60754;MM60754;CCOC(CCN)=NNC;DFZRJZBNUKPRCK-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60755;MM60755;C#CCCN=CN(C)NC;ZZWWHMIIWWWTGQ-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60756;MM60756;CC(C)(CO)OC=CCO;RJMBJNLMTXNGNC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60757;MM60757;CN(C=N)C=NC=CC#N;PMTCSNPWGAWFGE-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01716;MM01716;COC=COC(C)(C)CO;AGCMSTWGXCUILE-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60758;MM60758;CNC(C)C#CC=NOC;JDKXPMYGWOVYPN-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01962;MM01962;COC(C)(C)OC=CCO;ZDLVFVWRQVXUAP-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60759;MM60759;COC=COC(C)(C)OC;LBELNEKGHJTBRN-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60760;MM60760;CCNN=C(CCN)OC;MYNNJCUQLNITQX-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60761;MM60761;COCC(=CF)N(C)C=N;KWVGMTDJBKZQJZ-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60762;MM60762;N=CNC(=COC=O)CF;HLEIPJMUZDEVEC-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60763;MM60763;C=C(CNC)C(C=O)OC;KJTLAAGVBHLHHI-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60764;MM60764;C#CC=CC(CN)NN=C;CUZFJGMHYDHRDG-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60765;MM60765;CONC(=N)C(C)=CN;LLMJTNHTEFUMSJ-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60766;MM60766;C#CC=NNC(C=C)CN;DFJILPBVXYLCBV-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60767;MM60767;C=CC(C)(F)CNC;HDKZUJVMOGCYSN-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60768;MM60768;CONC(=N)C=CN;NCUYIQZMHIYDTC-UHFFFAOYSA-N;115.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60769;MM60769;CNN=CCN=CNC=N;BXCWFBCHSVTTJO-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60770;MM60770;CN(C)CCN(C)C;KWYHDKDOAIKMQN-UHFFFAOYSA-N;116.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60771;MM60771;C=C(C)C(=O)NNCC;JTGIOMTUXVHYII-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60772;MM60772;CC(O)(CO)CC=CC=O;WAVINKIYFSUVSD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60773;MM60773;CC(O)(CO)CC=CC#N;OSUCCIDSMVEOBQ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60774;MM60774;CC=NN(C)CCN;KBCOSVQDZMGWIV-UHFFFAOYSA-N;115.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60775;MM60775;CC(C#N)(CF)C(=N)N;PNNZPHWKZUUKGZ-UHFFFAOYSA-N;129.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60776;MM60776;CN=CNC=COC=NO;MMDDKZGDZGNZNJ-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60777;MM60777;C=C(OC)C(C)NC;IANQXRGYAOTYEI-UHFFFAOYSA-N;115.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60778;MM60778;CC(C)(CO)N=CNC=O;ZNDVLDVJRVTTSU-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60779;MM60779;NCC=C(CF)CC=NO;WWGKHTJTLQUOJX-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60780;MM60780;CC(C)(CO)NN=CC#N;LLGGTNQGEJYFEC-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60781;MM60781;CC(C)(CO)OC=CC=O;NHIRCRUWZCFZAP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60782;MM60782;CC(C)(CO)OC=CC#N;BLXWBEBDQVAAAX-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60783;MM60783;COC(C)(C)OC=CC#N;JHBPRSBAFZAABD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15384;MM15384;C=NN=COC(C)(C)CO;NUNROQKVBAVAEE-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60784;MM60784;CCN(C)N=CNC;NIXGFVPZRLEYGX-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60785;MM60785;CC(C)(CO)ON=CC#N;ZBQLSQPSBFASSP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60786;MM60786;C=CC(N)C#CCN;WJQFZHLPNWSMLK-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02770;MM02770;COC(C)(C)ON=CC#N;KWFYSKUGVMTECR-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60787;MM60787;C=NN(CC)CCN;BLNWHWYSAIVURF-UHFFFAOYSA-N;115.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60788;MM60788;C=C(CN)COC=NO;GOKLOIDWTWAMLH-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60789;MM60789;CC(O)(C#N)CC=CCO;DBAXAJQGJOLWBN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60790;MM60790;C=C(OCCN)C(C)=NO;YYBKLUZIUFIXKT-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60791;MM60791;C=NNC(=O)COC(=N)N;OIDLOSJYOOCYKW-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60792;MM60792;C#CC(CCF)NC;PJKQJSCFGFRNNC-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60793;MM60793;C=C(C)N(C=N)C=N;CQSGAYZSORQBDV-UHFFFAOYSA-N;111.15;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60794;MM60794;COC(=CF)C(C)N;GPPAGAQBTARGOK-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60795;MM60795;C#CC(O)(C=CF)CNC;YPIUBDWRQVNHRJ-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60796;MM60796;C#CC(O)(C=CC)CNC;SCXIQMYFGDKMLB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60797;MM60797;CNC(=N)C(=NO)NN;PPNCDRZAFKJAGZ-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60798;MM60798;C=NOCC(C)(O)COC;FHQRMXMGQODTIG-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60799;MM60799;CC(C)(C#N)CC=CC#N;FKTSKVBSKHMTFV-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60800;MM60800;C=CC=CCC(C)(O)C=O;GPRRNLLGKKESTP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60801;MM60801;CC(C)(C=O)N=CNC=O;TVAJDBPEMGGBFU-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60802;MM60802;CC(C)(C#N)N=CNC=O;NJSPJTMFGVJGMB-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60803;MM60803;N=C(NN)C(O)CO;KEMZMUOHBAIGKP-UHFFFAOYSA-N;119.12;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60804;MM60804;C=NNC(C)(CN)CF;WIQMGUJGXOUSAM-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60805;MM60805;C=CC#CC(C)(O)CNC;LJOUYKPGNSNTNE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60806;MM60806;C#CC#CC(O)C=CCN;SEMZXAYROOSFPJ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60807;MM60807;C#CC(O)C(=C)C(C)NC;KJQZGQZQLXGFNB-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60808;MM60808;C#CC(N)(C#C)CNC;PUBIKCFYKGXOAD-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60809;MM60809;C=NOCC(O)COCC;NEJORLTZFJSHFS-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60810;MM60810;C#CC(C)(O)C=C(C)CN;QMLIWUHUPWJUDN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60811;MM60811;C#CC(C)(O)C=CCN;GFQQQIQFLUVEHK-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60812;MM60812;C=CC#CC(O)C=CCN;XZGCJEZIYJQLMP-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60813;MM60813;CC(C)NN=CCC(N)=O;BFKSISZSDKWXRW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60814;MM60814;CC(C)=CC(O)C=NN;JIOGWYZKRSRPFX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60815;MM60815;CCC(C)(O)CC#CCO;WUCWPCXWLXFKBA-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60816;MM60816;C#CC(C)(O)CC(=C)CN;FCZIJMSHTLPYKD-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60817;MM60817;CC(F)C(O)C=CCN;OXDFDWGPVYFSCH-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60818;MM60818;C=C(CN)CC(O)C#CC;MZVSYGXRSDREJG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60819;MM60819;CC(O)(CO)CC#CC=O;CEKBSJQGGYJWDW-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60820;MM60820;CC(O)(CO)CC#CC#N;WFMDVJSPGBMUJC-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60821;MM60821;CC(O)(C=O)CC#CCO;NKUIEBFMQPHEOS-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15310;MM15310;CC(F)(C#N)CC#CC=O;HZRZPEOMOJKHLU-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15952;MM15952;CC(F)(C#N)CC#CC#N;KWZADFXQZJNKHJ-UHFFFAOYSA-N;136.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15504;MM15504;N#CC#CCC(F)(F)C#N;ZIWBOLQFOQJHJP-UHFFFAOYSA-N;140.09;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60822;MM60822;CN(C)CC=CC=NN;MHIYLEOJJAYDMJ-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60823;MM60823;CNN=CC(C)C(=O)NC;NUGCOZWDUNYENW-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60824;MM60824;COCC(C)(O)C=CCN;FWFRRMSLTOVSPT-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60825;MM60825;C#CC(C)(O)CC#CCO;NXLOFXWWQSIKBX-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60826;MM60826;CCOCC(N)COC;PYMJXLRAODLHOH-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60827;MM60827;C=NOCC(=N)NCC;CHYQNEMIWRAIAH-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60828;MM60828;NC(CO)=NN=CCC=O;RLIUMWNQSNGRSL-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60829;MM60829;NCC=CC(O)CO;ULHMNDBGNYCVCK-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60830;MM60830;C=C(C)C(O)C(=C)CNC;MXQQCYOXOCXFMO-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60831;MM60831;C=CCOC(=N)NC=C;FDPDNJNBDWHJFB-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60832;MM60832;CC(=CF)C(O)C=CCN;IDIDAABBBIPWQM-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60833;MM60833;CCC=NN(C)CCN;QQBNAVKRJJFZRR-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60834;MM60834;CCC(O)C(CNC)OC;CGYIWGHJQPQOMF-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60835;MM60835;CC=CC(N)C#CCN;QISJUEDEKLMJJI-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60836;MM60836;CC(O)(C=CF)C=CCN;PMNWQEPCNZVLFK-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60837;MM60837;COCC=CC(C)(O)CO;VIHNNNFRQKDRNZ-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60838;MM60838;C=CNC(=O)CC=CCN;FLSXRUQPISIHSR-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60839;MM60839;CCOC=CC(C)(O)CO;IOZQMBUQZWIARO-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60840;MM60840;CC(O)C(C)(C)OC(=N)N;YOVYPEZOGMCBQB-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60841;MM60841;CC(O)(C=CCC#N)CO;VURYEPSPVVUQLP-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60842;MM60842;CCC(O)C(N)C(O)CC;BCGWTZAPCXKMOU-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60843;MM60843;CC(C)(C=CNC=O)CO;GRUNPUOMNQXOJI-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60844;MM60844;C=NOCC(O)CCOC;CSZWKSQCZTWODT-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60845;MM60845;C=CC(O)C(=C)CNC;JLHGOCZFPWZLLS-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60846;MM60846;C=COC=CC(C)(O)CO;FPWMOTYTLUIGHV-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60847;MM60847;CC(C)(O)C=NN;DNGOAUWDMXWPPA-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60848;MM60848;CC(C)(C=NNC=O)CO;HDULNAVTEARUPH-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60849;MM60849;C#CC(C)C(O)C=CCN;NXNRBCWAACOOOO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60850;MM60850;C=CC(=N)NC(=N)CO;IGDBSLQXLKZXDA-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60851;MM60851;CCC(C)(O)C=NNC=O;PWTNNFBLOGEUJK-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60852;MM60852;CC(O)(C=NNC=O)CO;RZVDEHCGRHMYSV-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60853;MM60853;C=CC(C)(O)C=CCN;PZWWCGIRAPJZBV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60854;MM60854;COC(C)(C)C=NNC=O;QGZSTXGLOMCQHN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60855;MM60855;CC(=N)N(N)C(C)=CF;PUEBOUOJJNRWOB-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60856;MM60856;C#CC#CCN(O)C(=N)N;JIMVGADLTNKHCZ-UHFFFAOYSA-N;137.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60857;MM60857;COC(=CCC=NN)CO;XZGAPEFOLMNSIW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60858;MM60858;C#CCC=CC(C)(O)CO;DXPJOOWCCGTUDG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60859;MM60859;COCC=CC(C)(O)C=O;QNGUWSCRHJXUIZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60860;MM60860;COCC=CC(C)(O)C#N;PSMXRXPTJIWVFY-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60861;MM60861;C=NN(CCC)CCN;NLRSUXRMMUTYTI-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60862;MM60862;COCOC(=NN)NO;VAXZCCSYMRLRTP-UHFFFAOYSA-N;135.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60863;MM60863;C#CCNN=C(NO)OC;MQGPMOKHPGVPTD-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60864;MM60864;CCON=CC(C)(O)C#N;UTEHUIRXJXDBKV-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60865;MM60865;C=CC(C)(O)C=CNC=O;WOJTZHRZCSFYDW-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60866;MM60866;CN=NC=C(NN)C(C)O;GDHAJDLXLHZQMA-UHFFFAOYSA-N;144.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60867;MM60867;CC(O)(C=O)C=CNC=O;XROLVSFLUCYELV-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60868;MM60868;CC(O)(C#N)C=CNC=O;KULCOCXYESHSEW-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60869;MM60869;N#CC=C(C=O)C(=N)N;ILYIDSSCDFDFNT-UHFFFAOYSA-N;123.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60870;MM60870;C=COCC(=NC)NN;RSVIGKHZNSJROI-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60871;MM60871;CC(F)(C=O)C=CNC=O;BKPRAWAPBCFUCU-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60872;MM60872;CNCC(C)(F)C=C(C)C;YVCHWNQOYNLLCT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60873;MM60873;CC(O)(C=O)C=COC=O;HAYUOXDAYOLFDS-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60874;MM60874;CC(O)(C#N)C=COC=O;XWUAEWLUCGHIAR-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60875;MM60875;C#CCC(C)(O)C=CCN;AXQWWHAAUMFKHV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60876;MM60876;C=CC(C)(O)C=NNC=O;QTHLQJFTXHROJC-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60877;MM60877;C=NOCC(CO)OCC;LNTMJGZGPHWUBI-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60878;MM60878;C=C(C)C(=NOC)N(C)O;CYVTXSSUEPACHB-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60879;MM60879;CC(O)(C=O)C=NNC=O;IZNYHMLICLJJEM-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60880;MM60880;CC(O)(C#N)C=NNC=O;OZFJVAJZTJBNGS-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60881;MM60881;NCC=CC(O)C=CF;HEIGMFIKFIYMGO-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60882;MM60882;C=NNC(CO)CCC=O;IYDLBDGHRAWZNQ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60883;MM60883;CC(F)(C=O)C=NNC=O;CFCBXBJOOFADCZ-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60884;MM60884;CC(F)(C#N)C=NNC=O;DSYDOPCWLBHCAO-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60885;MM60885;CCOC(C(C)N)C(C)O;AAZLTLIJXUASOO-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60886;MM60886;N#CC(F)(F)C=NNC=O;OPYYNFRKNNKRQJ-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60887;MM60887;CC(C)=CC(N)C#CCN;NVBYGDYOZOUCNH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60888;MM60888;C=CC(C)(N)C(C)NN=C;DRMZNHYFXCGDPN-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60889;MM60889;CCOC(CNC)C(C)O;AHGMAUHQJHQYRZ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60890;MM60890;C#CC(C)(O)C=CCCO;JUBAVWYICQOYOL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60891;MM60891;CCCC(F)(CN)CNC;XGHYCNYVOPHRFD-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60892;MM60892;C=NOCC(C)OCCO;OKENXOOTCOQULC-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60893;MM60893;C=CC(O)C=C(CC)CN;OLANIJJCJGEVJI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60894;MM60894;C=COC(C)(OC)C(C)N;DTSVEVIYVUBAAG-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60895;MM60895;C#CC(C)(O)C=COC=O;OACOYKQSEKTWSD-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60896;MM60896;CCNN=CCC=O;CAUCQDBOXVECQG-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60897;MM60897;C=CC(O)C(C)C(=C)CN;MQUXIUGACLIFIK-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60898;MM60898;C#CC(C)(O)C=NNC=O;LMINETFAHIWASQ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60899;MM60899;C#CC(F)(F)C=NNC=O;VWMKZQHGARERCQ-UHFFFAOYSA-N;146.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60900;MM60900;C#CC(=N)NC(=N)C(=C)C;ZZAUKQHRLVKVIK-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60901;MM60901;CCC(O)C(COC)NC;GTOBHJWORXIHCR-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60902;MM60902;C=CC(O)C=CCN;KHDZBTZTDBOFCJ-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60903;MM60903;CC(C)C=NN(C)CCN;HKAKGRGLBDIRQL-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60904;MM60904;C#CCC(O)C=CCN;JFMJGMXPJGXZFM-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60905;MM60905;CC(=N)N(O)CCCF;RPXFWWPMNGRKMH-UHFFFAOYSA-N;134.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60906;MM60906;CC=NN=CC(C)(O)CO;SWEYUWKWOTZORE-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60907;MM60907;CC(O)(C#N)C=CC=NO;DJVVJWGXLWSXFK-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01760;MM01760;CC=NN=CC(C)(O)C#N;BNMQILNQKOFWQW-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60908;MM60908;C#CC(C)(O)C=CC=NO;HJZCUZCWBWTFIL-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60909;MM60909;CC(C)(C#CCCO)CO;AOZZEFOGOYDVOJ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60910;MM60910;C=NOCC(CCO)OC;JXIYMNICIQVXFE-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60911;MM60911;C=C(C)C=NN(C)CCN;XSHFLGNJBNCICF-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60912;MM60912;C=NNC(CC=O)COC;YLLUJLJFHNRNPR-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60913;MM60913;CCOC(CO)C(C)N;UICNYEXJPXRYJU-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60914;MM60914;N=C(N)NC(CO)=C(F)F;DEWJQBJVMUSRTN-UHFFFAOYSA-N;151.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60915;MM60915;CC=COCC(C)(N)CO;QPEHMQVUNCFXKL-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60916;MM60916;CC(F)(C#CCCO)CO;ZEACLNGTRZVPFL-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60917;MM60917;CCC(C)=NN(C)CCN;XRTFKJHVLJFDBM-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60918;MM60918;CC(CN)=C(C)C(C)(C)O;YLVYWTQIYAVYRD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60919;MM60919;CCNC(CO)CO;GWMADSUQNXLNCF-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60920;MM60920;C=NN(CCN)CC(=C)C;QBSCAWMAXCZXSW-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60921;MM60921;CCN(CCN)N=C(C)C;SCSNJMUWYCATLK-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60922;MM60922;C=CCC=NN(C)CCN;KDLPUFQVLRPDFG-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60923;MM60923;C=C(C)N=C(N)C(=O)CF;MTCDKMSAVNKQQG-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60924;MM60924;CNN=CCC=CC(N)=O;YEGDEXLBRVRFCS-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60925;MM60925;COCC#CC(C)(F)CO;FUGFPDODFOCDMC-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60926;MM60926;CC(=CC#N)N=CNC=N;YTLLRMMDRXOCHV-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60927;MM60927;CCOC(=N)NN=CC=O;JDTWSWPUVOQRKX-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60928;MM60928;C=CCC#CC(C)(O)CO;IOYHBVFSMRRUPG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60929;MM60929;CC(O)(C#CCC#N)CO;NMYKNRIKIVUABK-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60930;MM60930;O=CCC#CC(F)(F)CO;BDPCLHAQDISBCL-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60931;MM60931;CNCC(F)C(C)C=NN;CUKPJZQQNZCKOZ-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60932;MM60932;CN=C(NC=N)N(C)O;FMWNECKFTRCAAL-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60933;MM60933;C#CCC#CC(C)(O)CO;BGVKLOMKBXMUHK-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60934;MM60934;C#CC(NC)C(C)N(C)C;HLJQIALICVEUGH-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60935;MM60935;CC(F)(C#CCCO)C=O;LWSKVXVWNGHSNO-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60936;MM60936;CC(F)(C#N)C#CCCO;LAZAJWPEFQMEMK-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60937;MM60937;C#CCN(CCN)N=CC;RKLSXVLBSWMZIG-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60938;MM60938;C=CC(C=O)CON=C;SIIBGUPRZQPXAH-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60939;MM60939;COCC#CC(C)(O)C=O;WBFRMIKFVVSREP-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01996;MM01996;CC(C)(C#N)C#CCC#N;PQSNGZAKLAYGBR-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60940;MM60940;CC(O)(C#CCC=O)C=O;RBLQHLWCFDNHQC-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60941;MM60941;CC(O)(C#N)C#CCC=O;HAPWZIQUMFSPQI-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60942;MM60942;CC(O)(C#CCC#N)C=O;CRKKZMWOGALBFD-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60943;MM60943;CC(O)(C#N)C#CCC#N;FQPJMFABSLMPAC-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60944;MM60944;C#CC(C=C)(CN)N(C)C;FPFILHVCGIWYBC-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60945;MM60945;COCCNC(C)(C)CO;OPVYYBPSAJYYKL-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60946;MM60946;C=CCC(O)C=CCN;ZUAVTJPPMIHOJY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60947;MM60947;C#CC(C)(O)C#CCCO;SDBWKAMLKNGARG-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60948;MM60948;C=CC(=O)CC=NN(C)C;PHQIYTVYHJNUFI-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60949;MM60949;C#CC(C)(O)C#CCC=O;VALNOXCGZLPAGQ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60950;MM60950;CNC(C)C#CC(C)=NN;YVGAEBDRHKIMCZ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60951;MM60951;C=COCC(NC)C(C)O;LYPVPZVEPNNAQM-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60952;MM60952;CC(O)(C#CC=CF)CO;MDICMDADIBFFBC-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60953;MM60953;NCC=CC(O)CCCF;OBSWFDNATXDIAT-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60954;MM60954;C=CCC(=C)C(=N)N(C)O;XWUMJOWQIXKXKP-UHFFFAOYSA-N;140.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60955;MM60955;CC(O)(C#CC=NO)CF;XUKPKPMTVAXDGX-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60956;MM60956;C#CC#CC(C#N)NC;VDGVGZIAESUVGX-UHFFFAOYSA-N;118.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60957;MM60957;CC(F)(C#CC=NO)CO;PCCJERHAQROZSW-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60958;MM60958;NN=CC#CC(F)(F)CO;KDCFCNXJJCTRGR-UHFFFAOYSA-N;148.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60959;MM60959;C=C(CN)C(C)C(O)CC;MLORNVDSQSESSH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60960;MM60960;CCC(O)C=CCN;WOAANDPLPRWOFJ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60961;MM60961;CC(O)(C#N)C#CC=NO;PWFMCHHPQDCSRJ-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60962;MM60962;CC(F)(C#CC=NO)C=O;MTHNDFZEGKCBLR-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60963;MM60963;COC(C)(C)CC(=N)NO;NOQZTHQCPOERNG-UHFFFAOYSA-N;146.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60964;MM60964;C#CC(C)(O)C#CC=NN;XCCSSHCVHVBWNB-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60965;MM60965;C#CC(C)(O)C#CC=NO;HKORYKBJHDXSQG-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60966;MM60966;C=C(C#N)N(C)C(=N)NC;OONLBCWNXDVVPX-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60967;MM60967;CCOCC(N)COCC;IOQRUPCLXFKZHW-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60968;MM60968;C=CC=CC(N)C#CCN;LIUMECIGZUQQTO-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60969;MM60969;CNN=C(NOC)OC;ZZFAWOXWILDBLL-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60970;MM60970;C=NN(C)C=NNCC;RNKSCMZEOYBZPH-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60971;MM60971;C=CC(=C)C(N)C#CCN;CUKUDLJXYYLRLU-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60972;MM60972;CC(CN)=C(C)C(C)O;VEUNQYNBGQTAJI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60973;MM60973;COCCC#CC(=N)NN;MYMYWQRBJZTPIY-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60974;MM60974;C=NNC(C=O)C=NNC;NTRWHUWCCRDGOF-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60975;MM60975;C#CC(COC)C(=N)NN;XYNSUCBKYGWUSX-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60976;MM60976;C#CC=C(C#C)C(=N)NN;ASFXNOAUAIJABV-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60977;MM60977;COCC(C)=CC(=N)NO;CAZXBXFXMVNVJT-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60978;MM60978;C=CCCN(CCN)N=C;YHEKUWUCGMQLAX-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60979;MM60979;C#CCC(CN)NN=CC;XQIUJOKAIYMJGN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60980;MM60980;C=NN(CC#CC)CCN;GHSFUJYCUSTHFA-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60981;MM60981;CC(C=NN)COC=NN;VYVFWUJZAYMQRT-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60982;MM60982;C#CCN=C(C=C)NC=N;IBNLDSHKIKJMLW-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60983;MM60983;CC=NN=CC(CN)NC;DGSCSCOAUUFKGG-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60984;MM60984;C=NNCCN;MGOCQEYELGRLDC-UHFFFAOYSA-N;87.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60985;MM60985;NC1CC1O;BPRCXDKVLIAUTK-UHFFFAOYSA-N;73.1;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60986;MM60986;COC(C)(C)C(O)CCO;PIPUSLRPQBYADU-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60987;MM60987;CNC(C)(C)CF;XJRSYEJGEAOLEE-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60988;MM60988;CC(C)(O)C=CCN;LPGVQMODLMYOQN-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60989;MM60989;C=C(OCCO)C(C)(C)N;RTIMYZCMEDMFEY-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60990;MM60990;C=C(C)C=C(CO)CNC;TUWASGRBJSJROV-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60991;MM60991;C=C(CNC)C(F)F;ZPFXHDXMVCGXOJ-UHFFFAOYSA-N;121.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60992;MM60992;C#CC(=N)N(N)C=C;FHLVNVRKGIDEOA-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60993;MM60993;CC=NNCCOC=NN;JHRCFHGIHLHUFD-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60994;MM60994;CC(CC=O)C(C)(O)CO;UYZCSWOYODLAEM-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60995;MM60995;COC(C)(C)C(O)CC=O;NBOAPIDTLYQALL-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60996;MM60996;COC(C)(C)C(O)CC#N;YQTLSVNTBCPFRY-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60997;MM60997;CC=NNC(=N)OCC#N;MLHWLIPIANFVAC-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60998;MM60998;C#CC=NNC(=N)OC;MRDDMGDVWLEZTK-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM60999;MM60999;CC(CN)=C(C)CO;LXZOZHHZCAHMGP-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61000;MM61000;COC=CN(N)C=N;RYBQSIZYLJPEEE-UHFFFAOYSA-N;115.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61001;MM61001;C=CC=NNCCN;KFLYQLYDJJKLQA-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61002;MM61002;C#CCN=CNC(=N)C#N;VLYHQUWNDLHJPN-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61003;MM61003;C=COC(C)C(C)(O)CO;RKNUIYNMVWYOOB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61004;MM61004;CNN=CC(F)=C(N)OC;RJGRADLSZVEKRT-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61005;MM61005;C=C(CN)C(CC)C(C)O;SMSOQZQDXUVVOJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61006;MM61006;C=CNC(=N)OC(C)C;XMUQBCGTNRWUFQ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61007;MM61007;C=C(F)C=NNCCN;HWAWCDGWRPYTMJ-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61008;MM61008;C=NOC(C)CNCC;JLTZCPOWYJZKJI-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61009;MM61009;C=CNC(=N)OCCF;GGCILJCWZYQOBM-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61010;MM61010;CC(CCO)C(C)(O)C#N;ZTEKMMDTXVQCJG-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61011;MM61011;C=C(CN)C(C)C(C)O;NKSWTMBXOAGRSY-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61012;MM61012;CCCC(O)C(C)(O)C=O;FQRCGKIZCQVLKU-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61013;MM61013;CC(O)(C#N)C(F)CCO;IHYURLKSIQBBAJ-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61014;MM61014;C#CCCNC(=N)OC;HGXPDZQQDRZNGB-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61015;MM61015;C#CCC(CO)C(=C)CN;VCIMGFIWXZEXHL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61016;MM61016;CCC(C)=NNCCN;FKAHJSDIQXBCPY-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61017;MM61017;CCC(=CCO)CN;GCBCIDVBOZHJIC-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61018;MM61018;C=CC(C)=NNCCN;NOROOVBIMDWURO-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61019;MM61019;COCC(O)C(C)(C)C#N;YZJBQXYKCLOKJX-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61020;MM61020;COCC(C)C(C)(O)C#N;PPQJKIXIGNGNAT-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61021;MM61021;C=CC=NNC(=O)NC=N;BPGOVEVRIIOVOW-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61022;MM61022;C=CCC(C)C(C)(O)C=O;DKNKIBUTADBZKO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61023;MM61023;C=CC(C)(O)C(O)CC#N;WBTMPVJORLSWLO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61024;MM61024;CC(O)(C#N)C(O)CC#N;HXQGCTGQJNSLBY-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61025;MM61025;CC(O)(C#N)C(F)CC#N;IIBPIWISTYYDBZ-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61026;MM61026;C=CC(C)(F)C(C)CC=O;QIIYMHGHRTWISW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61027;MM61027;CC(F)(C#N)C(O)CC=O;INSOKCJZJRDEJV-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61028;MM61028;CC(F)(C#N)C(O)CC#N;RQWAZRJBLSFUCT-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61029;MM61029;C=NOC(C)C(C)NC;NFCRSQVGXQAOPV-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61030;MM61030;C=CCCC(=CCO)CN;XNGNOHOJJWWSPO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61031;MM61031;C#CC=C(C=O)CNC;RZYUQSQVNKQECJ-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61032;MM61032;COC=C(OC)C(C)N;FZWKDXHECYQHQY-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61033;MM61033;C=CC(=NOC)C(C)N;PKKWAFJJJSFZFE-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61034;MM61034;C=CC(CNC)OC(N)=O;JZZGUJSGCQBIIQ-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61035;MM61035;C#CC(=C)C(C)(N)CCO;RTHDHOLYEQGQAR-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61036;MM61036;CC=C(CN)CCO;MYRGEWKDEHMUJT-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61037;MM61037;C=CC#CC(=CF)CN;SFPBSGAZTSPVME-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61038;MM61038;COCC=NNCCN;FBOIDXMARCXCHN-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61039;MM61039;CCC(C#CCCO)NC;JZZVGEKANDCQBY-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61040;MM61040;CNC(=NNC(=N)N)OC;XAXCDESFDUVBGH-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61041;MM61041;CC(C)=NNC(=O)NC=N;CKQBFYXVYKWIRL-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61042;MM61042;CCC=NNC(=O)NC=N;COWRPCRQTUDPOE-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61043;MM61043;C=CCC=NNCCN;AMGJALGBWNDOMG-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61044;MM61044;CC=CC=NNCCN;WBXVYLXSKTZJIZ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61045;MM61045;C#CC(C)(O)C(O)CC=C;XCQOHACJIAKTIE-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61046;MM61046;C#CC(C)(O)C(O)CC#N;UCNNOFUPALOTGZ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61047;MM61047;C#CC(C)(F)C(O)CC#N;ISJWDYRHHBLQFX-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61048;MM61048;C#CC(C)(O)C(C)NC=O;LHFYJGMZYDFUBI-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61049;MM61049;CC#CC=NNCCN;ZWSNGEXCVVNFLU-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61050;MM61050;CCC(=O)NCC=CCN;DXYNJWZGADTEMY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61051;MM61051;C#CC(C)(O)C(C)OC=O;XONBTBUJICZYJF-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61052;MM61052;CC(C)(C)N(C=N)CC#N;LDYZOARKJAHUHP-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61053;MM61053;C#CC(C)(C)N(C)NC=O;ZGSKHGIKJOTSLF-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61054;MM61054;CCNC(=O)CC=CCN;HBPMGSDTCOORCA-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61055;MM61055;C#CCC(O)C(C)(O)C#C;ZVRSSSVTOCZSRZ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61056;MM61056;C#CC(N)CN(C)C(C)C;JSXVFELBYJSYKW-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61057;MM61057;CC(C)NNC(=N)C=CF;YACKZQBDWYERTB-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61058;MM61058;C=C(CNC)C(F)CC=O;CXODUONGFISMEX-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61059;MM61059;C=CN(N=C)C(=NC)NN;JVSLJOVGRIBJOM-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61060;MM61060;CC(F)=CC=NNCCN;CYFFUYOGZNVOFU-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61061;MM61061;CC=NNC(=NC)N(C)N;FNSPZDBVOYUFLO-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61062;MM61062;COC(C)(C)C(=O)CCO;RUBVBRSOBWISBG-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61063;MM61063;CC=COCC(=N)NC=N;VCOZRCVRDBMOIG-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61064;MM61064;C=C(C#CCNC)COC;XSNWIZNWFZZZED-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61065;MM61065;C=C(C)C(CC=O)NC;GQQXPJZQYGBTKY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61066;MM61066;CON(C)C(=O)NC=N;JPLSHCOFEHDOIV-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61067;MM61067;C=C(OCC)C(C)(O)CO;JIGBYBKTOFQFTP-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61068;MM61068;CC(C=CF)=NNCCN;LWFLMJCKVHHCKC-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61069;MM61069;C=CCNCC(C)C=O;IBBREOUQGXRRKZ-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61070;MM61070;C=C(CC#N)C(C)(O)CO;NKYZUTIFHRBJRX-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61071;MM61071;C=C(C)C(C)=NNCCN;KFYMUEXAFZSBAF-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61072;MM61072;C=CC(NC)C(C)C=O;SCOHDJJECCPVGP-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61073;MM61073;C=CC(=N)NC=NNCC;UUZZPYHUOKLZRA-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61074;MM61074;C=C(NC=O)C(C)(C)CO;LZMOPGZMTKYKGG-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61075;MM61075;C=CC(C)(C#CCN)NC;PYIQKXXUQNGDLO-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61076;MM61076;C#CC(=NN)NN(C)C=N;MFTGCIWUMJTVCT-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61077;MM61077;CCC(CN)ON(C)C=O;CFRPBHSSHPHVAF-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61078;MM61078;C#CC(CC(F)CF)NC;DWUULVZLHFBNKA-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61079;MM61079;C=NNC=C(C=NC)OC;RHTZLGWRYFCQFC-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61080;MM61080;CCNC(=N)C=NNC;NCNHLDZZLGJXGP-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61081;MM61081;C=C(NC=O)C(C)(O)CC;XXEUXWUYXSFLQV-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61082;MM61082;CCNN=CC(=N)NCC;OOOVQVDPHAGINF-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61083;MM61083;N#CC=C(N)C(=N)NC=O;VCOIITVURQILDP-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61084;MM61084;CNC(=O)NC=NC(C)C;RLESEGMBYYZFAU-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61085;MM61085;C=C(C)CNCCC(C)=O;GFZMGWJLQIWGEI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61086;MM61086;CNC(=N)OCOC=NN;LJBKDBOMFCWJHC-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61087;MM61087;C#CC=CC(=NN)C(=N)N;UQVONXRZWUIJHT-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61088;MM61088;C=CC(=C)CC(CF)NC;JKCBRDQWBBWQRV-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61089;MM61089;CNC(C)C(N)=C(C)C=O;XQCGTDDLZQGKBF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61090;MM61090;COC(C)(C)C(=N)NC=O;RZHMDHYLUMKICY-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61091;MM61091;C=CNC(=O)C(C)(C)OC;GUAIKGIUZKSGAB-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61092;MM61092;COC(C)(C)C(=O)NC=O;XXNCNSNJFMLSMW-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61093;MM61093;N#CC=NN(C=N)C=CF;XSLSJZJNEKEROX-UHFFFAOYSA-N;140.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61094;MM61094;C=NNC(=O)C(C)(C)OC;PIKGOYRECZIWGN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61095;MM61095;CC#CC(=CN)C(=N)NN;NLHVZAWGEUVPBB-UHFFFAOYSA-N;138.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61096;MM61096;C=COC(=C)C(C)(O)CO;OTCUDJCCZSGDAP-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61097;MM61097;C#CCN(C=N)N=CC#N;JXFRGCLMFUDSDU-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61098;MM61098;CC=C(C)C(N)C#CCN;RSDGLNOMMOYFRR-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61099;MM61099;C=C(C=NNCCN)CF;ZAWNGADDMZJZNG-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61100;MM61100;C=C(CF)C(=O)NNCC;UZZKQMJXBMAKLF-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61101;MM61101;C#CCC(=C)C(C)(O)CO;ABVSSQOGERQOFQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61102;MM61102;C#CCC(=O)C(C)(O)CF;LZSSBIGDOOMXJE-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61103;MM61103;CC(C)(C#N)C(=O)CCO;XIPJBCPZFYUJCZ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61104;MM61104;C=C(CCC)C(C)(O)C=O;UMIOYNPBJKDQOB-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61105;MM61105;C=C(CCO)C(C)(O)C#N;INKAZCUIOIZQQH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61106;MM61106;CN=C(C=C(N)N)N(C)N;NLBCYGZANDQCFZ-UHFFFAOYSA-N;143.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61107;MM61107;C=C(C)C(N)CC(C)=NO;OZCNZBWWEKLCKI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61108;MM61108;C=CC(=C)C=NNCCN;KGTAQXKUZSDLFT-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61109;MM61109;COC(C)=CN=CNC=N;CEAPVEPYWDQBPH-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61110;MM61110;C=C(COC)C(C)(O)C#N;UTRDVZHTHYRLDE-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61111;MM61111;C=CC(C)(O)C(=O)COC;FKRADXKYAGZZBD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61112;MM61112;CC(C)(C)C(=O)NC(=N)N;MTVNKFCDEUNUPI-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61113;MM61113;CCNC(=O)C(C)(O)C#N;IGXKYKGTLBZXFZ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61114;MM61114;CC(OC(=N)N)C(O)C#N;HXZJLDUOQQEJDW-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61115;MM61115;C#CC(C(=N)N)C(=O)NN;CZISKPZRAGFANX-UHFFFAOYSA-N;140.15;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61116;MM61116;C=CCC(NC)C(O)C=O;FXZVPTRAQPHVFH-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61117;MM61117;CC#CC(O)C=C(C)CN;KBRINEQLKHCHON-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61118;MM61118;C=CC(C)(F)C(=O)NNC;FEUSTHYVOCRFTH-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61119;MM61119;C=CC(C)C(CN)NN=C;MJGMSLRPWPGSBM-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61120;MM61120;C#CC=CC(=O)NNCC;RFKVEZFZTSFBAB-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61121;MM61121;C=C(OCC)C(C)(O)C=O;OQUNMPMTQGQNLX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61122;MM61122;C=CCC(=O)C(C)(O)C=O;BMHKRYXQDCWSMA-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61123;MM61123;CC(O)(C=O)C(=O)CC#N;WYUIEMRMARDXIC-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61124;MM61124;C=C(NC=O)C(C)(C)C=O;FMUISJYYNNJDRM-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61125;MM61125;CC(=CC(C)(O)CF)CN;HUILRCDWUUPSLU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61126;MM61126;C=C(C)C(O)C=C(C)CN;PISMMEQISHFNJN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61127;MM61127;CC(C)(C#N)C(=N)NC=O;SDCKNFTXJVITSO-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61128;MM61128;N=C(N)OC(CO)CO;CYXRAEUKIUAXLK-UHFFFAOYSA-N;134.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61129;MM61129;C=CNC(=O)C(C)(C)C=O;FXEPLODTSWGAGI-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61130;MM61130;CC(C)(C#N)C(=O)NC=N;YMFWNLBECPGVLA-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61131;MM61131;CCN=C(NN)C(=N)NN;KBZKHFIWSXFVSA-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61132;MM61132;C=C(CF)C(=NC)NC=N;AGXYZBBHMODJTC-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61133;MM61133;C#CC(O)C(=C)CNN=C;FQJVFYABXUNYFZ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61134;MM61134;C=CCC(C)(O)C(N)C=C;NUIRCBRGENFUSI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61135;MM61135;C=C(NC=O)C(C)(O)C#N;YAGTVBAANPDWTH-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61136;MM61136;CC(=CC(O)C=CF)CN;LGRWQJUXHXXQBH-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61137;MM61137;C=CCC(O)C(N)C(=C)C;WPNXSCSOHWYRBO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61138;MM61138;C=CC(O)C=C(C)CN;FZXHPNKQKNWTCI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61139;MM61139;C=CNC(=O)C(C)(O)C=C;WPTWDUXZXSPOMK-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61140;MM61140;C=CNC(=O)C(C)(O)C#N;GHGMTNCJYOOKQQ-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61141;MM61141;CC(O)(C=O)C(=O)NC=N;KWLRWZVJGSYMMR-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61142;MM61142;CC(O)(C#N)C(=O)NC=N;HJADKSSWFMJOMM-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61143;MM61143;CC(O)(C#N)C(=O)NC=O;PJIKUNCMOXDLLW-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61144;MM61144;C=C(NC=O)C(C)(F)C#N;OGYHIIWELIBBFW-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61145;MM61145;C=CC(C)(F)C(=N)NC=O;BUKMFFZARRQBFF-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61146;MM61146;CC(=CC(O)C(C)C)CN;ZQVUESFVDFTZNF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61147;MM61147;CC(F)(C#N)C(=N)NC=O;YLOCSHNUBRKNKQ-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61148;MM61148;C=CC(C)(F)C(=O)NC=N;QLORNXVPFVLMGJ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61149;MM61149;C=CNC(=O)C(C)(F)C#N;JFJKABWMZPWJHZ-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61150;MM61150;C=C(C)CC(=O)NNCC;QCFSUHPJCOBMQW-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61151;MM61151;C=CC(C)(O)CC(=C)CN;IYVVENLXEQQBLT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61152;MM61152;CC(C)=CC(N)C(C)(C)O;VIHSCISASOJRSC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61153;MM61153;CCNC(C)(CO)COC;OWWFGMKSWJUBAW-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61154;MM61154;C=NNC(=N)C(C)(O)C#N;AYUYQBNCTXBCNF-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61155;MM61155;C=NNC(=O)C(C)(O)C=O;CNDWVFVAHKVDRT-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61156;MM61156;C=NNC(=O)C(C)(F)C#N;NOJCALLZIAZHNU-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15322;MM15322;C=COC(=C)C(C)(O)C#N;XLLCRMJOYYWEQW-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61157;MM61157;C=C(OC=O)C(C)(O)C#N;CYQVHWBJXBTLNW-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61158;MM61158;C=NOC(=O)C(C)(O)C#N;JZORTBTZKKGERM-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61159;MM61159;C#CCCN(C=NC)NC;ROQQIBHYXZHHID-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61160;MM61160;C#CCC(=O)C(C)(O)C=O;GVICKHJMPRFHEG-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61161;MM61161;C#CCC(=O)C(C)(O)C#N;JIMFTUBHNFDXII-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61162;MM61162;C#CC(C)(C)C(=O)CCO;ZVJYUSJYAVWVPM-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61163;MM61163;C#CCC(=O)C(C)N=CN;FEONPNNMNWANSI-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61164;MM61164;CCNNC(=O)C=C(C)C;FQPXCZAUPGLHKZ-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61165;MM61165;C=NN(C)CCC#CCO;MMAVUHPDUFPXJN-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61166;MM61166;C#CCNC(C#CC)CN;IJRLUGCUDVTTRF-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61167;MM61167;C#CC(C)(O)C(=C)COC;VKSVXXAAVBVSHP-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61168;MM61168;C=CN(C=NC=N)C(C)=N;DMHBOHADEWLGSW-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61169;MM61169;C=CC(C)C(O)C=NNC;OYJHPDOKEGTSTD-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61170;MM61170;CC=CC(CC(N)=O)=NN;MQQVOKRELRCJIR-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61171;MM61171;C#CC(C)(O)C(=O)NCC;TWKMSKUWGYQZGC-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61172;MM61172;C=CC(=NOC=O)C(C)N;ZVPGTTOCZSDUAC-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61173;MM61173;C#CC(C)(O)C(=O)NNC;WYCQTTHHGNGOFC-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61174;MM61174;C#CC(C)(O)C(=O)CC#N;LGMGFECADBJUNP-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61175;MM61175;C#CC(C)(C)C(=O)NC=O;FCYGQUQEJDMDCY-UHFFFAOYSA-N;139.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61176;MM61176;C#CC(CN)=C(C#C)OC;UPRFQYQJNFSKRP-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61177;MM61177;C#CC(C#CCNC)OC;GJBGMXBECYEAOP-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61178;MM61178;C=CC(CF)=NNCCN;RXGIIPLOOGBCIB-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61179;MM61179;C#CCNC(C)(C#N)CO;BANGDGQOPYUSFI-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61180;MM61180;CCC(C=NNC)C(N)=O;ZNAIOASABCTRBG-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61181;MM61181;C=NNC(C)(C#CC)CO;VWLCASUPABNMNK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61182;MM61182;C#CC(C)(O)C(=C)NC=O;MCNNODHULHDZKK-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61183;MM61183;C=CC(CO)=NN;HPPXCHMXZSDYNW-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61184;MM61184;CCN(C=CF)C(=N)NO;ASZWTZOSJKCHDR-UHFFFAOYSA-N;147.15;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61185;MM61185;C#CC(C)(O)C(=O)NC=C;NJVSHQQWNPIOFG-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61186;MM61186;C#CC(C)(O)C(=O)NC=N;PLJRALGTMIOOCJ-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61187;MM61187;C#CC(C#C)=NNCCN;YZEDVNCPFMPPEH-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61188;MM61188;C#CC(C)(F)C(=N)NC=O;MFAPFOWADJCKBB-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61189;MM61189;C=CCC(O)C=C(C)CN;XFOSOIMQMRCHRW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61190;MM61190;C#CC(C)(O)C(=O)NN=C;BYCSVFYBUSSUMH-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61191;MM61191;C#CCN(C)C(C#C)CN;UACYPMPLEHPHCL-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61192;MM61192;C#CC(C#C)C(=N)NC=C;POAIICWBPBOVCX-UHFFFAOYSA-N;132.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61193;MM61193;C#CC(C)(O)C(=O)OC=C;UQJLDZUFOWPMBK-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61194;MM61194;C=COC=CN=CNC=N;JPTVIZPVEJWLNC-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61195;MM61195;C#CC(C)(O)C(=O)ON=C;QBDMLNZUQHLXLM-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61196;MM61196;C#CCC(=O)C(C)(O)C#C;FHPSRXPIKPACED-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61197;MM61197;CCOCC=NNCCN;LXXNHXVQFIQZDB-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61198;MM61198;C=COCC=NNCCN;DLZYWOHXMAKWIF-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61199;MM61199;C=COCOC(=NN)NO;QEFLDPATQLNBFR-UHFFFAOYSA-N;147.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61200;MM61200;COC(=NNCC#N)NO;AXJTWKLQQLEVJZ-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61201;MM61201;CCC(C=NN)NC(C)=O;HWFZHFZYDDZOCI-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61202;MM61202;C=CC(O)CC(=C)CN;AAYVAOMWTVCINY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61203;MM61203;C=CCC(=C)C(N)C(C)O;CWBFBLUFHJNWPV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61204;MM61204;CC=CC(O)C(C)(O)C#N;AYFIQPFTNLGNCF-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61205;MM61205;CC(O)(C#N)C(O)C=CF;KDLVQWJMYBOEFQ-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61206;MM61206;C#CCC(O)CC(=C)CN;QEQBTNWEZDGJMI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61207;MM61207;NCCNN=CCC=CF;WSLLJJCXJRPIMH-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61208;MM61208;CC(O)C=NNC(C)C;ZCPXXGXUTMMFTD-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61209;MM61209;C#CC(C)(O)C(O)C=CC;DSJAZHKOGCYSME-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61210;MM61210;C#CC(C)(O)C(O)C=CF;VTDPZDFQDRRCPC-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61211;MM61211;CC(O)C=NNC(C)(C)C;MHUDKEWYBKCNHB-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61212;MM61212;CNN=CC=C(CO)CO;JJPUWISYCNDSCP-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61213;MM61213;C#CC(C)(F)C(O)C=NO;UPJOJHYHMIOOJA-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61214;MM61214;C#CC(C)(C)N(O)C=NO;LXCCQUIUHQHKBB-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61215;MM61215;COC=CC=NNCCN;XSLDHMKYZOQRHW-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61216;MM61216;NCCNN=CC#CCF;CWOAEXJRTJJRQM-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61217;MM61217;CC(O)C(N)CN;HHZAHYUACNWGAQ-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61218;MM61218;C=CC#CC=NNCCN;YKGJAXDWJFERGC-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61219;MM61219;COC(C)(C)C(=O)C=CN;CCVYFBZCGZSIQC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61220;MM61220;CC(O)(C#N)C(=O)C=CN;NZCQADXTBXCRMK-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61221;MM61221;C#CC(C)(O)C(=O)C=CN;VZXQHDGDYFYBEM-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61222;MM61222;CCC(O)C=C(C)CN;QMQCGLCGOYZGSH-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61223;MM61223;N=C(CCF)NO;LNVKYJNIALGQOH-UHFFFAOYSA-N;106.1;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61224;MM61224;C#CC(C)(O)C(=C)C=NO;RPEDVBNPYNEITB-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61225;MM61225;CC#CC(O)C(C)(C)CO;QUBUEKKDWDIVRA-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61226;MM61226;C#CCN(N=C)C(C)CO;ASSPZZLMUTUNCH-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61227;MM61227;C#CC#CC=NNCCN;SBPJYGGWGGGPPQ-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61228;MM61228;N=C(NN)NN=CCO;YKAJJQJYMIDFIQ-UHFFFAOYSA-N;131.14;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61229;MM61229;N=C(N)C#CC=O;DXYVKEFCVIGJSC-UHFFFAOYSA-N;96.09;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61230;MM61230;CC#CC(C)C(C)(O)CO;ORVFKPOIUXCPIJ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61231;MM61231;CC#CC(O)C(C)(O)CC;UVYLALCXBDFCLB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61232;MM61232;COC=C(CO)CC=NN;RIXFPXLBZCPYBM-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61233;MM61233;CC#CC(O)C(C)(F)CO;SOLUFVYHKWDVDI-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61234;MM61234;C=NOCC(=O)NCCC;NMUODLJDJQDEKH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61235;MM61235;CC#CC(O)C(C)(O)C=O;HTWVCHKQSDQULC-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61236;MM61236;CC#CC(O)C(C)(O)C#N;DULJYLXSCMUJMI-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61237;MM61237;CC(N)C#CC(C)F;JFSYWOXYQFALKF-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61238;MM61238;CC=CN(NCC)C(N)=O;AMRFYHPSACYDCX-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61239;MM61239;C=COCC(=C)C(=N)NO;KWGBXNILJYGSJR-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61240;MM61240;CC(C)C(=CN)C(=N)NO;MXQHIKGIUGYPIF-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61241;MM61241;CC#CC(=O)C(C)(O)CO;AXOMCQHCXSFAHT-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61242;MM61242;CC#CC(=O)C(C)(F)CO;UHSKOVOZRBHVHD-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61243;MM61243;CC(F)=CC(=N)NN;VBWCSHCPWGUCLK-UHFFFAOYSA-N;117.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61244;MM61244;CC(=CCO)C(C)(O)CO;BOGLCECPNGHVFM-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61245;MM61245;CN=CN=CN(C)C;ZQODJRRBKUZTPC-UHFFFAOYSA-N;113.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61246;MM61246;COC=C(C)C(C)(O)CO;GTLJLPGAVBIWAK-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61247;MM61247;C=CN(C)C(=N)OC;XZWZXJTYIIUKJY-UHFFFAOYSA-N;114.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61248;MM61248;CC(=CC(C)(C)O)CN;LWXGEOJGEMJGKU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61249;MM61249;C=CC(C)=C(CO)CNC;PGWVSFHETFHHJW-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61250;MM61250;CC(=CC(C)O)CN;JRZKHDXDQLVFEH-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61251;MM61251;C=C(CN)CC(C)(C)O;OQUJMQWUERCEQE-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61252;MM61252;CC(=CC#N)C(C)(O)CO;RIFCPKSXLMHWGE-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61253;MM61253;N=CNO;IONSZLINWCGRRI-UHFFFAOYSA-N;60.06;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61254;MM61254;C=C(C)C(C)(F)CNC;CVKCIVDRWDVBNC-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61255;MM61255;C=C(CN)CC(C)O;UHYWTLPDYRQLIS-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61256;MM61256;C=NN=C(C)C(C)(O)CO;NUJWTJCJNOTENB-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61257;MM61257;COC(C)(OC)C(C)N;HKIASBLVRANDFE-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61258;MM61258;CCC(C)NC(=N)OC;OQEJSWRXCHPUEI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61259;MM61259;CC(=CCO)CN;GALIBMMNPUSPFG-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61260;MM61260;CC(=CCO)C(C)(O)C#N;FFSAFOVKIBDTQI-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61261;MM61261;COC=C(C)C(C)(O)C=O;NAGZDCDWQKATCM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61262;MM61262;C#CC(=N)NC(=N)C=C;GHFILYWXRSBTPB-UHFFFAOYSA-N;121.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61263;MM61263;CCCOCC(N)CCO;GSVKRSLBQPKPKN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61264;MM61264;CNN=C(C)C(C)(O)C#N;PHNGKKZEVNERCU-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61265;MM61265;CC(O)(C=O)C(N)=CC=O;YQIOKSOSTDMLDH-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61266;MM61266;CC(O)(C#N)C(N)=CC=O;LBJSEEVWOZDYSX-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61267;MM61267;C=NNC(C)=NNC(=N)N;SRXHRIHKEFKCPD-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61268;MM61268;CC(O)(C#N)C(N)=CC#N;DUXHBLCPSDHZDU-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61269;MM61269;CC(O)(C#N)C(F)=CC=O;FVPCNXICILMPFB-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61270;MM61270;CC(O)(C#N)C(F)=CC#N;MYFNMKIUNQKGBB-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61271;MM61271;CC(N)C#CC#CCN;JJOIAFWIDZEWHR-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61272;MM61272;COCC(=N)NCC#N;VOUHXQJANDYUDM-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61273;MM61273;C#CC(C)(O)C(C)=CCO;RLIBJJVNRFBHCO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61274;MM61274;CC(C#CCN)N(C)C;XRGYZABEHVSRQT-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61275;MM61275;C#CC(C)(O)C(F)=COC;ZCMAXULFFQNWIS-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61276;MM61276;CCCNCC(F)CN;HHHORJGWYFTAMK-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61277;MM61277;C#CC(C)(O)C(C)=NOC;HNBOQPUNRJKMPC-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61278;MM61278;C=CCN(N)C(=N)NN=C;NNRUPAYHZWXMLM-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61279;MM61279;C#CC(C)(O)C(F)=CC#N;KQYASWQTDMBCNB-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61280;MM61280;C=CCC(C(N)=O)C(C)N;MNDZKSUUWCVVCD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61281;MM61281;COC=CN=C(C)NN;KOCQEPZXGVZLPO-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61282;MM61282;CC(CF)(CCO)CCO;UHXLVUGXDAYWAV-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61283;MM61283;CCN(C)CC#CCN;MDSGXPZDOKXPDW-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61284;MM61284;C=CCC(CN)NN=C;QQRONBCGKXJGHT-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61285;MM61285;C#CC(C=C)ONC=N;AXPRIGVREIDPRO-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61286;MM61286;COC=CN=CNC=N;HEWAJDSLHPJLHH-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61287;MM61287;CNCC#CC=CC#N;PALQSFVDLSFBTH-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61288;MM61288;CNCC(C)(CC#N)OC;ASORBPIQYWDMSB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61289;MM61289;CCN=C(CC#N)N(C)C;RTCMQLFTYSEFBV-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61290;MM61290;COCCNCC(C)C=O;KRJMXTQSZUFUMO-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61291;MM61291;C=NNC(C)(CF)CNC;KZGJEUDGEOJGDS-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61292;MM61292;CNCC(F)(CN)C(C)C;FPDUFEVTFGUKHH-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61293;MM61293;C=NNC(C)(CN)C(=C)C;FQOJLZAIABAVOT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61294;MM61294;C=NNC(CN)CC(=C)C;BSLKCPUCMWZXAO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61295;MM61295;CCCNCC(F)CNC;LUWANJIVSBAKPI-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61296;MM61296;C=CNC(=N)OCCC#N;KOEKVUBJYGCEBJ-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61297;MM61297;CNCC#CC(F)CC#N;QOCWDULXQSZWJP-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61298;MM61298;C=CC(F)C(=N)NC(C)=N;BVNQCELMASLCIN-UHFFFAOYSA-N;143.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61299;MM61299;C=C(C#CCNC)CC#N;WSALKHVKDNNHPY-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61300;MM61300;CC(=O)COC(=N)N;PHOFVGKPSKSZHK-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61301;MM61301;N=C(N)C(=N)N(C=O)C=O;WFKRVWHZDCRPJV-UHFFFAOYSA-N;142.12;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61302;MM61302;N=CNC(=N)CC(F)=CF;DWRZWMXISRFFNQ-UHFFFAOYSA-N;147.13;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61303;MM61303;C=NN=CC=C(N)C(C)N;PATFFCYRWHIXIB-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61304;MM61304;CCCNC(=N)OCOC;QSFYQSRESFHUSO-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61305;MM61305;C#CCNCCC(=C)C=O;CYTOXAZYHVYMRI-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61306;MM61306;CNN=C(C)N(C)C(C)=N;FTWUSDFHHXDSPV-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61307;MM61307;C#CC(=C)NC(=NN)NN;QCFJXWSIJLZULI-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61308;MM61308;N=C(C#CCCCF)NN;JENDLTIPIMPYKT-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61309;MM61309;COCC(C)(CO)COC;GJDPWHURBFNYAV-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61310;MM61310;C=NNC(CN)C(C)CF;UAPZKKSVAPRRHR-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61311;MM61311;C#CC(N)C(C=CC)NC;OMEFAXTVEVMFSJ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61312;MM61312;C#CC(C)=C(C=O)CNC;NLDPXMKEHQTUGC-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61313;MM61313;CCOCC(=CF)NC=N;PSNUIQOCQWSHJV-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61314;MM61314;COC(C)(CCO)CCO;GUSICWYVIRZCAG-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61315;MM61315;N#CC=CNN=CC(=N)N;CCXVXLAFWOQMBF-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61316;MM61316;C#CC(CN)N(C)CC=C;LJIWJFVIGAQNCW-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61317;MM61317;COCC(C)(COC)OC;UNTNCMSHPFYOMK-UHFFFAOYSA-N;148.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61318;MM61318;CCOC=CN=CNC=N;XDVHFODSLXSZOR-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61319;MM61319;CC(N)C#CCF;GYBIVRVFKXMILV-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61320;MM61320;CC1CC1(N)CF;LDZODXANYPDJBD-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61321;MM61321;N=C(N)C=NNC=CC=O;ASUIAWVXOKBVRB-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61322;MM61322;CC(C)C(=NN)C(=N)N;OJDRNCVXDZRNFN-UHFFFAOYSA-N;128.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61323;MM61323;CCOC(C)(CO)CCO;VSLBKSQLBHXUAU-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61324;MM61324;CCCC(=O)COC(=N)N;JOGOPOKSXGTPFC-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61325;MM61325;CN=CNCC#N;RHIWZFQPOXQZDN-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61326;MM61326;CCOC(C)(CO)COC;DNGOANGQKBNVTA-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61327;MM61327;CNCC#CC(C)F;SKBFKAVFMUXISL-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61328;MM61328;CCOC(C)(CCO)OC;MDWDERHWFWNEPR-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61329;MM61329;CCOC(C)(COC)OC;YGBFMYAMGSRYFZ-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61330;MM61330;C=CNC(=N)OCC;JXXRNFBLVGQLFY-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61331;MM61331;C=NOC(=N)NNC=N;GJSYICFAPLDQPK-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61332;MM61332;CCCC(O)(CO)CC#N;RWTNLJVNMXWRQE-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61333;MM61333;N#CCC(O)(CO)CCO;IWOZBXBAWSCBNY-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61334;MM61334;CC(=NO)OCC=CCN;MCVFGNWEHGIRLH-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61335;MM61335;C=CCC(O)(CF)CCO;WHMGQFSLPMQROX-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61336;MM61336;C=CC(N)(C=C)C=C;NGXWOHLLPJFBFI-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61337;MM61337;CCC#CC(=N)NN;ZTGBAGVZHPUMSN-UHFFFAOYSA-N;111.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61338;MM61338;COC=C(CN)CC=NO;LKGJPLBUDZFZOS-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61339;MM61339;CCN=CN(CC)C(N)=O;MVWDPZHBIXXSDI-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61340;MM61340;CC=C(C)C(=O)NC(=N)N;HCOLTCZAMJPCLX-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61341;MM61341;C=NNC(CC)CN;KTIAUWDWDBFTCR-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61342;MM61342;COCC(C)(CO)CC=O;MBZHWZOLGMZKCT-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61343;MM61343;COCC(C)(CO)CC#N;KLPBRBKNMHBSRG-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61344;MM61344;COCC(O)(CO)CC#N;ZWZYJMXXSCECSN-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61345;MM61345;CCCC(O)(C=O)CNC;VPOJOJFNSMMKFI-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61346;MM61346;CNCC(=CF)CF;YFGNGRYHRTUYBQ-UHFFFAOYSA-N;121.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61347;MM61347;C=CC(C)(CN)NN=C;DJXUUQDXPQXUIV-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61348;MM61348;COC(C)(CC#N)CCO;OFMNMJXSZIVNDQ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61349;MM61349;C=C(CC(N)CF)OC;QVOFLLMILYWKKI-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61350;MM61350;COCC(C)(CC#N)OC;IBVHLYKAYUHTNW-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61351;MM61351;CC(C)N=CN(C)C(N)=O;FKOCYTMNFNANIE-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61352;MM61352;CC(O)(CO)C(=N)NN;MASYOGCZFVVZHW-UHFFFAOYSA-N;133.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61353;MM61353;COC(C)C#CC(C)N;LPKPNFMYXAAOHR-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61354;MM61354;C=NOCC#CC(C)N;DHTMVTHAHZTESD-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61355;MM61355;C#CC(CNC)C(F)F;MLEAVKGKHDVSDM-UHFFFAOYSA-N;133.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61356;MM61356;CN=CN(O)C(=NC)NC;BBAWBVYFBXOPEC-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61357;MM61357;COCC(=N)NC=CF;IPWIRTNKOFNUNI-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61358;MM61358;CN(N)C(=N)CC(N)=O;LVPVVVXSTGECID-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61359;MM61359;C#CCN=C(C)NC=N;ZTAODJHYCSYJTQ-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61360;MM61360;C=NNC(CN)CCC;UDPGCEVGGQIIBQ-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61361;MM61361;C=NNC(CN)CCF;IMKQVYSHHNTHGS-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61362;MM61362;C=NN(CC)C(C)CN;IFMRAXJHVVEVNW-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61363;MM61363;CNC(C)(CO)CO;KKTHJBQQGYXBEC-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61364;MM61364;NC=CC=NNCCN;VMSPHGSUCNLJDO-UHFFFAOYSA-N;128.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61365;MM61365;C=COC(CNC)C(C)O;TYOAGRWCVWLGSO-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61366;MM61366;C#CC=CC#CCNC;MQCXWOUFEZHQBW-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61367;MM61367;C=C(C)CN(C)CC(=C)C;SZTLNSMSDRAAJP-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61368;MM61368;C=COC(C)(CO)COC;SQJBWROTFQQZSP-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61369;MM61369;C#CC(N)(C=C(F)F)CN;CGGYLLGIQMFWND-UHFFFAOYSA-N;146.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61370;MM61370;C=C(C)C(N)C(O)CC;YQXZTJFKXGFLSL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61371;MM61371;CCNC(C)(C)C(F)CN;YTIQHMJRNJLFJX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61372;MM61372;C=COC(C)(CCO)OC;MXVRFGCBEGNDFM-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61373;MM61373;C=NNC(C)(C=CF)CN;LARYBXFNVYEOTR-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61374;MM61374;C=C(C)C(N)(C#CC)CN;PNYORMFPBSDCBN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61375;MM61375;C=COC(C)(COC)OC;HCFROJGRMAKQJJ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61376;MM61376;COCC(C)(OC)OC=O;KJZQEOHOKBHCIT-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61377;MM61377;CC(=CC#N)CNC(C)C;PHHGKQSFQHBMGT-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61378;MM61378;CC(C)NC(C)C(F)CN;SZNRKXOFXDPQMW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61379;MM61379;CCOC(C)(CO)CC#N;LTUUPPFKIHCPGD-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61380;MM61380;CCOC(C)(CC#N)OC;WAJAHLIUIMVOAQ-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61381;MM61381;C=CC(O)CNCC(=C)C;SNUPJOQWUHUCAM-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61382;MM61382;C=CCC(N)C(F)CNC;ANVIMNVRBKFDMG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61383;MM61383;C=CC(C=C)(C=O)NC=N;MKBOHJPFKZHSBJ-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61384;MM61384;CCOCC(C)(N)CO;LHVMYOCTHYZLFL-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61385;MM61385;C#CC(=N)NNC(C)C#C;RVCSPAXCUJWJQV-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61386;MM61386;C#CCOCC(C)(N)CO;OMOPADNRRWSJLN-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61387;MM61387;CCC(C)C(=N)N(N)C=N;PDAOJRJHKXUREQ-UHFFFAOYSA-N;142.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61388;MM61388;C=CC=NN(C)C(C)CN;LCXPSNHVDBKEAI-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61389;MM61389;CNCC=C(C)C(=O)OC;PCGJOKIBAHKKAT-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61390;MM61390;C#CCC(O)(CF)COC;MRPCOKCLGJAEIL-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61391;MM61391;CN(C)C(=NC=N)N(C)O;MYZAJZBXZMJKLS-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61392;MM61392;C#CCC(F)(CO)COC;WGOKTJDJSKXBFJ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61393;MM61393;C#CC(=C)CNCCCF;CUFKNYHWFMMQRW-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61394;MM61394;CC=C(C)C(N)C(C)O;BOGWAJWDVDPYTO-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61395;MM61395;CCC(C)(CC#N)CC#N;XXYPIRGJSOJAFM-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61396;MM61396;C=CCC(C)(CO)CC=O;KMISGVSLZREGCV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61397;MM61397;CC(CF)(CC#N)CC#N;FIUAXBLDNCFAPY-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61398;MM61398;CCCC(NC)C(F)CN;IUFQREJZHCRUBP-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61399;MM61399;C=CCN(N=C)C(C)CN;OYXUVCCJAUTCLV-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61400;MM61400;C=CNC(=N)C(=N)N(C)O;CAVWJJFOWHRMGV-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61401;MM61401;N#CCC(O)(CO)CC#N;JAMNDEBLJSYLOG-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61402;MM61402;CCC(F)(CC#N)CC#N;DMIQAXHQJDHPGB-UHFFFAOYSA-N;140.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61403;MM61403;C=CCC(F)(CO)CC=O;SZRSAKJFJAQDNG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61404;MM61404;N#CCC(F)(CO)CC#N;OUUXNZKBOLIXNX-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61405;MM61405;N#CCC(F)(CF)CC#N;YDFKGWGZIHVLSD-UHFFFAOYSA-N;144.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61406;MM61406;N=C(N)C(=NN)NO;QEEDIUKNXQCWDU-UHFFFAOYSA-N;117.11;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61407;MM61407;COC(C)(CC#N)CC#N;ITEVVCJBCGVQQV-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61408;MM61408;C#CCCC(=N)N(C)O;QJBFNRRUBZUSSJ-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61409;MM61409;C=CCC(C)(CO)NC=O;ZPUOHMIKONGJRV-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61410;MM61410;C=C(CCF)C(=N)N(C)O;RHUMIMVLQAZBRQ-UHFFFAOYSA-N;146.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61411;MM61411;CC(=NC=CC(C)N)NO;MUZWYTMNOKPXAG-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61412;MM61412;C=COC(C)(CO)CC#N;FPWSKPSTCMLQQV-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61413;MM61413;C=C(COC)C(=N)NO;ZPRWZGCSOFETKH-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61414;MM61414;C=COC(C)(CC#N)OC;KVZJMXIHAVEQMC-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61415;MM61415;COC(C)(CC#N)OC=O;BAGGXOVAOZOFLH-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61416;MM61416;C#CCCC(CN)NN=C;WYONWEVOTXDSTB-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61417;MM61417;C#CC(CC#N)NC=NC;NYIHWSNPPHBHES-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61418;MM61418;C=CCC(=O)C(C)N=CN;FEIFFVYXAGXVHE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61419;MM61419;C=CC(=C)CNCC(C)O;MZUFJQHKXAHCIS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61420;MM61420;C#CCC(O)(CO)CC=C;SBSOZPDGTDXEHZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61421;MM61421;C#CCC(O)(CF)CC#N;WBXYXRKWJOCNJH-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61422;MM61422;C#CCC(F)(CC)CC#N;VPNJJVVTLJGGNV-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61423;MM61423;C#CCC(F)(CO)CC#N;OIXGBLNHRXNNNE-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61424;MM61424;C#CC=CC(=NC)NC=N;SBWJNXFECNYBJJ-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61425;MM61425;COC=C(C#CCF)CN;NYBLCNBNCYODEM-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61426;MM61426;CC(C)(N)C#CCCO;ZFWUFZRWQHGZQB-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61427;MM61427;CC=NOC(CC)C(=N)N;HWBZANXJKZMOHE-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61428;MM61428;C#CCC(C)(CC)CC#C;FGIRSRXILBPWRB-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61429;MM61429;C=C(C)C(C#CCN)NC;NJSXTYGQMMBMNE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61430;MM61430;CCNC(=O)C(C)C(C)N;NKTACDWSLINLBI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61431;MM61431;C=CC(C#CCNC)OC;HNXREJKPXLCBAG-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61432;MM61432;C=CCC(N)C(C)C(N)=O;OBTDKLOEFPWNDU-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61433;MM61433;CCC(OC)C(=N)NC=N;NROGGIWTLLWAJZ-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61434;MM61434;CCN=CNNC=NCC;NELKVUVUVWKUHP-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61435;MM61435;C=CCN(C)C;GBCKRQRXNXQQPW-UHFFFAOYSA-N;85.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61436;MM61436;C=NNC(C)CN;YASFSMAOGJFRRC-UHFFFAOYSA-N;101.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61437;MM61437;CNCC=CC(=O)C(C)=O;KBKAKPMEROGZNJ-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61438;MM61438;CCCC(C(N)=O)C(C)N;SBOZKUSDHWEDOJ-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61439;MM61439;CCCC(N)CC(N)=O;NXUFRLVBLXJCAP-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61440;MM61440;COCC(O)(C#N)CCF;MSJVXZYNHPFPFI-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61441;MM61441;CNC(C)C(C)F;YWNDISIMVNZYBN-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61442;MM61442;COCC(C)(C=O)COC;SQCRGROOQASKLX-UHFFFAOYSA-N;146.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61443;MM61443;COCC(C)(C#N)COC;MTMLKJKBHSHRPT-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61444;MM61444;C=CC(O)(COC)COC;NBSDWEWRDGXMPN-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61445;MM61445;COCC(O)(C#N)COC;UMFFHLGAXODNDR-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61446;MM61446;COCC(F)(C#N)COC;KXYHVBQDVYWAIC-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61447;MM61447;C=NOCCCC=O;ZFPPFGCQDUXJDD-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61448;MM61448;N=C(N)N(N)C=O;BALYTDZFQSHERR-UHFFFAOYSA-N;102.1;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61449;MM61449;CNCC#CCF;AFJDLZLCUBDBNP-UHFFFAOYSA-N;101.12;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61450;MM61450;CCOC(C)(C#N)CCO;SVINYRNNNCASTE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61451;MM61451;CCOC(C)(C=O)COC;OQCFUZCNKCJCFS-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61452;MM61452;CCOC(C)(C#N)COC;OVMDNWIPDVJXOH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61453;MM61453;CCOC(C)(C#N)OCC;QPFCLGADWIWYFW-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61454;MM61454;CC(C#N)(CC#N)CCO;VMBFCLKUBSVSJH-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61455;MM61455;COCC#CC(C)N;ZVYBSAJMAZXRCD-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61456;MM61456;N#CCC(F)(C#N)CCF;ZMIJTRSTCHRLLB-UHFFFAOYSA-N;144.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61457;MM61457;CNC(COC)C(C)C=O;MYYDVFHPRDSDEV-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61458;MM61458;C=C(C)C#CCNC;IINQKEWAJJYVLM-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61459;MM61459;CCC#CC(C=O)CNC;NLVSMUDZESXJNH-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61460;MM61460;C#CC(N)(CN)CN;CXLAQSSJQWYCLC-UHFFFAOYSA-N;113.16;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61461;MM61461;COCC(C)(C=O)CC#N;CPXUCROCPMZAGR-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61462;MM61462;C=CC(O)(CC#N)COC;OHKRKSAXRPZIQY-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61463;MM61463;C=CCC(O)(C#N)COC;IBYHFKZDAJJGPE-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61464;MM61464;COCC(O)(C=O)CC#N;WKGQCJGZVXNEQL-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61465;MM61465;COCC(O)(C#N)CC=O;BIBKZTKNCROVLM-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61466;MM61466;COCC(O)(C#N)CC#N;XBKIPPXYEGJPGC-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61467;MM61467;COCC(F)(C=O)CC#N;KVIMMXBIPQLHJN-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61468;MM61468;CCNCC(F)CC;MXRCOJPUWYUJPQ-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61469;MM61469;CC(C#N)(CCF)NC=O;ALHKUMDOZLYLOZ-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61470;MM61470;CC=NNC(C)CN;JNBDITXNSYETCO-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61471;MM61471;C=CC(NC)C(C=O)CC;XRNMWMARSMNQFY-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61472;MM61472;C=CC#CC(N)CN;JIDJTZDRVNOTAE-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61473;MM61473;CC#CC(=CF)CN;WSLXKKHJQCOLBY-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61474;MM61474;COCC(C)(C#N)NC=O;LEDXSWJCHBPELT-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61475;MM61475;CC(C=O)C=NN(C)C;YYIRPSLMEZPFEP-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61476;MM61476;C#CC#CC(CF)NC=N;AARWYRYVJXUSMV-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61477;MM61477;CNC(=NN)NC(C)=NN;YJRHPZYOJKBNNA-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61478;MM61478;C#CC(CN)N(C)C;FDXRCUOCFKDWOU-UHFFFAOYSA-N;112.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61479;MM61479;COCC(C)(C#N)OC=O;HJCPKXLRDPIULU-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61480;MM61480;C#CC(CN)=C(C)F;QYTFGPXCVWFZPF-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61481;MM61481;CN(C)CC(C)(C)C=O;NYUOVICEZDPRBR-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61482;MM61482;CNCC(C)(F)CNC;RHVMGRKOZOSNQV-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61483;MM61483;CC(=O)CNC(C)(C)C#N;PJPJZTLYXXGNLD-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61484;MM61484;C=NNC(C=CN)=NNC;DPDMUSHEJSIFTK-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61485;MM61485;C#CCC(O)(C=C)CCO;BUSPMLSMXSRLTP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61486;MM61486;C#CCC(O)(C=O)CCF;XBPIKAYBYGSHRR-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61487;MM61487;C#CCC(F)(C=O)CCO;WDXSWKGTHGAHHN-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61488;MM61488;C#CCC(F)(C#N)CCO;QDJCQVHHNKTRAJ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61489;MM61489;CC(N)C=NOC(C)C;PLRZHAGSFMLUEJ-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61490;MM61490;CNN=C(NNC=N)OC;ANFBTVBCNFUIPQ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61491;MM61491;C=C(C)CC(=NNC)NC;PWOVRGLADWFQQU-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61492;MM61492;C#CCC(O)(C#N)COC;VQZKPXMGFBHHIZ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61493;MM61493;CC(C#N)(CC#N)CC=O;YZAFCYRDVJJIMC-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61494;MM61494;CC(C=O)(CC#N)CC#N;DAJGGENWZBQLBD-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61495;MM61495;C=CCC(O)(C=C)CC=O;DFBBRGVSYBLHPI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61496;MM61496;C=CC(O)(CC=O)CC=O;ZRNMGGLPAQRTPR-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61497;MM61497;C=CC(O)(CC#N)CC=O;BJIWCOPBZVWYOR-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61498;MM61498;C=CC(O)(CC#N)CC#N;OYXMZHWZGCPRCS-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61499;MM61499;C=CCC(O)(C#N)CC=O;KYWOMCRWXUVCDM-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61500;MM61500;C=CCC(O)(C#N)CC#N;ICJCHDUUEZXUKU-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61501;MM61501;O=CCC(O)(C=O)CC=O;QCHXLHKARBTJRC-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61502;MM61502;N#CCC(O)(C#N)CC=O;MOFVQMAVRCCYKK-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61503;MM61503;N#CCC(O)(C#N)CC#N;RWYVYNQCMVCUMT-UHFFFAOYSA-N;135.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61504;MM61504;N#CCC(O)(C=O)CC#N;FVWHTLOJVIGWSG-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61505;MM61505;N#CCC(F)(C=O)CC#N;UZXITCBQUSNQEZ-UHFFFAOYSA-N;140.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61506;MM61506;C=CC(C)(CC#N)NC=O;PIPLOSPBQNKPDW-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61507;MM61507;C=CCC(=NN)N(C)N=C;LLEMEUZOOVITSJ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61508;MM61508;CC(C=O)(CC#N)NC=O;DJWOZSZYGKTTAT-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61509;MM61509;CC(C#N)(CC#N)NC=O;WGEPFIURHZZOQK-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61510;MM61510;C=CCC(=N)NOCC#N;FAFATUCULZRNCY-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61511;MM61511;CNC(C)C(C)(F)CN;JRKWSYQUXOVVGU-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61512;MM61512;CCNCC(C)(F)CN;YZTYCNQBEYISGF-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61513;MM61513;CC(C)=NNC(C)CN;OLZNRBRAHSAWFI-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61514;MM61514;C#CCC(O)(C=O)CC#N;ZXILSBSGQRGCFV-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61515;MM61515;C#CCC(O)(C#N)CC=O;SKWJCPHJCHHISH-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61516;MM61516;C#CCC(O)(C#N)CC#N;UQUYKEOAGLGESN-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61517;MM61517;C=CCON=CC(C)N;RZJQSTUCLDQMQN-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61518;MM61518;C#CCC(=NN)C(=N)NC;JANFPKDSQVYEBS-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61519;MM61519;CCOCC#CC(C)N;QFUZSSPRZMYUJR-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61520;MM61520;CNC(C)(C)C(C=O)C=O;YPKCQQAUEAPZPZ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61521;MM61521;C=COCC#CC(C)N;OMQBBPYRZIXCHF-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61522;MM61522;CC(N)C#CCOC=O;JGSUCKLJVUEKGN-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61523;MM61523;CCCC(N)C(F)CN;PFDANHIRZRQLKL-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61524;MM61524;CNC(C)C(F)CCF;ZURHGZIFNXZUQA-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61525;MM61525;C#CC(O)(COC)COC;VBRZIQFZGYDQGW-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61526;MM61526;C#CC(F)(COC)COC;IITZYCMHDVNNDH-UHFFFAOYSA-N;146.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61527;MM61527;COCC(=N)N(C)C=N;MDMRLORNUBGUPT-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61528;MM61528;CNCC=CC#CC=NO;YSWRLBJTEGDTAG-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61529;MM61529;FCCCCNCCF;YLGRMBCXNRYIAH-UHFFFAOYSA-N;137.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61530;MM61530;C#CC(F)(CC=O)CCO;OCBLVIJABQNSCO-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61531;MM61531;C#CC(F)(CC#N)CCO;ZDACOOBPHLROCK-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61532;MM61532;C=CC(N)CC#CC=NO;YPULKDDWODYTKN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61533;MM61533;C=C(C=NO)C(C)NCC;HWBWGVSNAFYMBY-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61534;MM61534;C=C(CN(C)C)CN(C)C;JDCRQKQFVOTBGC-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61535;MM61535;C#CC(O)(CC#N)COC;GPWKAHVVHOBSCX-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15887;MM15887;C#CC(F)(CC=O)COC;FNSLPXVSDCFZIL-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61536;MM61536;C#CC(C)(CCF)NC=O;WQHZXGOUYDMFAJ-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61537;MM61537;C#CC(C)(OC)OC(=N)N;ONWHPRNXTCSVNH-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61538;MM61538;C=CC(=O)CCCN(C)C;ZFEQGWFIIBBXKJ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61539;MM61539;C#CC(=O)ON=CC(C)N;HSERFMFWLVVKHA-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61540;MM61540;CNC(C)C(F)CC(C)F;YJJIOMIJMLCUKC-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61541;MM61541;C=COC(C#N)OC(=N)N;MEYVVXVGKIQFIF-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61542;MM61542;C#CCC(O)(C#C)CCO;VHHNRQBGORMHQP-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61543;MM61543;CCOCON=CC(C)N;IMXMLQVKHQRYMC-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61544;MM61544;C#CCC(O)(C#C)COC;UGIQPACAJREOJM-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61545;MM61545;C#CC(O)(CC#N)CC=C;KNDVPCAVGYICRS-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61546;MM61546;C#CC(O)(CC#N)CC=O;CQSOGNCRPRMTSI-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61547;MM61547;C#CC(O)(CC#N)CC#N;LAMMMQSXAGTGTR-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15753;MM15753;C#CC(F)(CC=O)CC=O;KDBZLFLDNHKLTD-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61548;MM61548;C=C(C)NC(=N)C(C)C#N;CZQRKBLKFWEYTF-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61549;MM61549;CNN=CC=C(N)C(C)N;DYQXRIUAGXBYTI-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61550;MM61550;C#CC(C)(CC#N)NC=O;SRVJBQABQUIHKW-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61551;MM61551;C#CC=CC(N)(C#C)CN;ASLNXRLYLMZVQD-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61552;MM61552;C#CCC(O)(C#C)CC=O;KQRQOJHPVHYAOT-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61553;MM61553;C=CC(C#CC)(CN)NC;BJHZWJFZCCRNPG-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61554;MM61554;C=C(C#CC(=O)OC)CN;RHQUZSNNINUFSD-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61555;MM61555;CCC(C)=NNC(C)CN;OAFLXLHMSUZEFN-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61556;MM61556;CC(CF)=NNC(C)CN;BGFOLUPXMRACPJ-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61557;MM61557;CN=C(NN)ONC(C)=N;AQBJATBNHAQHOB-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61558;MM61558;CNCC(O)(CO)COC;OGACTMQDPDGUQT-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61559;MM61559;CC=CC(O)(CO)CCO;ZZARQBXYTMCGAE-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61560;MM61560;C=NNCC(=O)CCOC;MUINNWDKXVFPMM-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61561;MM61561;C=NN=CON=CC=NN;OSUXSXYZZBMGAD-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61562;MM61562;CC#CC(O)C(C)NC;IHOSKKRGSVODFS-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61563;MM61563;CC=C(F)C(O)CNC;UKEICEDZMRJRJI-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61564;MM61564;C=C(F)C(O)CNC;VXMUTPQIBMPFEE-UHFFFAOYSA-N;119.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61565;MM61565;CCC(F)(C=NO)CCO;XPIPSXFJAAKIBQ-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61566;MM61566;CCCCC(N)C(F)CN;JTPKGEQVXHLYKE-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61567;MM61567;C=CC(C)(O)C(N)C(=C)C;QMZFPLWBYFKINK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61568;MM61568;CCC(N)CON=CNC;YZAMKSSBBIUFON-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61569;MM61569;COCC=NNC(C)CN;XVVGCOGRGYKWNK-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61570;MM61570;C#CCC=NNC(C)CN;FJTYFXGKKBQYTB-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61571;MM61571;CC(CN)NN=CC=CF;KDGBDHVKEUCFOJ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61572;MM61572;CNC(C)C#CC#CCN;NCKFCOPYFHSNQD-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61573;MM61573;C=CCCN(C=N)C=NC;ZCCOTPDGTTZCFM-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61574;MM61574;CCOC(C)(C=NO)OC;YUVSAOKNTLDONC-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61575;MM61575;CNCC#CC=CCC#N;HKUCETVXLNFNGQ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61576;MM61576;C=CC(O)C(NC)C(=C)C;YDGIQEYGFZSHCI-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61577;MM61577;CC=CC(O)(CO)CC#N;ZTJATVSQMAQIAN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61578;MM61578;CC(C=NO)(CO)CC=O;JAXYLKZCWMLAAB-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61579;MM61579;N#CCC(O)(C=NO)CO;FDSPQVICVIRQIU-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61580;MM61580;N#CCC(F)(C=NO)CO;CURYQOYPGKDKCA-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61581;MM61581;CCC(CF)NC;FQZVGIAMQBPQFJ-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61582;MM61582;CNCC(OC)C(C)(C)O;MXVYNQAKZBYAGA-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61583;MM61583;C#CC(=CF)CN;UJOCXCUAOZFDIH-UHFFFAOYSA-N;99.11;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61584;MM61584;CC(C)(F)CN=C(N)C=O;JFSMMPUHAPWNAL-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61585;MM61585;C=NOC(C)(C=NO)CO;ONQBQNYRYWFPQV-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61586;MM61586;C=CC#CCNC;FDLUYUUPKSGQBR-UHFFFAOYSA-N;95.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61587;MM61587;C=CC=NNC=NN(C)C;ARGQTBNEGUPSOO-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61588;MM61588;C#CCC(O)(C=CC)CO;YCKLBHVDAAZDDW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61589;MM61589;C#CCC(O)(C=CF)CO;CUMFWYPTAKEIIP-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61590;MM61590;C#CC(C#C)(CO)C(C)N;MKERQBZEIUJIFH-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61591;MM61591;C#CC(N)CC(F)F;BYEVURUBEBZSIM-UHFFFAOYSA-N;119.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61592;MM61592;C#CC(N)(C=C)CN;SECNKACUBKGVNY-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61593;MM61593;CCC(F)C(C)NC;RDHRCAPYXRLZEB-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61594;MM61594;CNCC#CCOC;FNKIUCPWHNKSQT-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61595;MM61595;CC=CC#CCNC;KWFRXAPJMSXTTE-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61596;MM61596;CCC1(O)CC1N;WSGPSRXCPPMBPQ-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61597;MM61597;CCC(C=O)NC(C)C#N;WKRXJACCCNNPOY-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61598;MM61598;C#CC#CC(C)(N)CN;ALMSQJCFMKIMDZ-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61599;MM61599;C#CC(N)=C(F)C=NNC;WURFLGANVPSKFE-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61600;MM61600;COCC(C)(C=O)C=NO;CHDPNCMOWYKYGC-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61601;MM61601;N#CCC(O)(C=O)C=CF;VIDJYACJGQUCSO-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61602;MM61602;N#CC(O)(C=CF)CC=O;FOORFHCKXYNRFV-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61603;MM61603;N#CCC(O)(C#N)C=CF;KDNUWUVVILOZAO-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61604;MM61604;N#CCC(F)(C=O)C=NO;TVNLHGNYXWQTTA-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61605;MM61605;C=CC(C)(C=NO)NC=O;IRZYWVBIXNNPDK-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61606;MM61606;CC(C#N)(C=NO)NC=O;IJYOZQMOQCCIRA-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61607;MM61607;C=NNC(C)(C#N)C=NO;WBYVZIZWAMVTFZ-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61608;MM61608;C=NOC(C)(C=O)C=NO;XSWAVBFUGYMVCM-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61609;MM61609;C#CCC(O)(C=O)C=CF;ABVYHJFEBFVHLH-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61610;MM61610;C#CC(N)(C=CC)CN;RXTPLZJONLEYRL-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61611;MM61611;C=CC(N)C(C)(C)O;JYSNNNVAYVGZGW-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61612;MM61612;CN=CN=C(NO)N(C)C;JGBZRDFCHNITDV-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61613;MM61613;C#CC(C)(C=NO)CCO;XBIHLIHELRDDTP-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61614;MM61614;CCC(F)(CN)C(C)N;BHISDZKCDHDRDW-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61615;MM61615;CN=C(NO)NC=COC;DUONVKYGRAKITF-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61616;MM61616;C=C(C)C(N)C(C)O;PGHZOXHRDKGIKA-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61617;MM61617;C#CC(O)(C=NN)COC;FUJGHYJTLYELNL-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61618;MM61618;C#CC(O)(C=NO)COC;QYKWDKDGHVWECG-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61619;MM61619;COC(C#N)OC(=N)N;CSJRMSCKGYTJCP-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61620;MM61620;C#CC(O)(C=CF)CC=O;GSZJMQITXJDZPC-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61621;MM61621;CN=C(NO)C(C)C;SYQBXANQUUPFLA-UHFFFAOYSA-N;116.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61622;MM61622;C#CC(O)(C=NO)CC=C;KBZXPVBFJDLDIT-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61623;MM61623;C=COCC(N)C=CF;AUYZUTIMMSOLBE-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61624;MM61624;C=C(C=CCO)C(=N)NO;SGEVQCAHMUIOQA-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61625;MM61625;CC(=NO)NCC#CC#N;VVCHLRNNZQJSJG-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61626;MM61626;CNC(C)C(F)C(C)N;YOZLVGXHNHOKMB-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61627;MM61627;CNC1CC1O;SYAMUXYWPPHESJ-UHFFFAOYSA-N;87.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61628;MM61628;CCN=CNCC(=O)C=O;XHTOOYKJOBLBLZ-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61629;MM61629;CC#CC(O)(CF)CCO;VYFQEUFUDWXOHB-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61630;MM61630;CCNCC(F)C(C)N;AGHBVCJWZHEURA-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61631;MM61631;CC#CC(F)(CO)CCO;OPDPAMDYBMZRIY-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61632;MM61632;C#CCNNC(=N)C#C;AIXSTVKLMIZLNY-UHFFFAOYSA-N;121.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61633;MM61633;C#CC(C=C)(CN)NC;BDCXVKAAPBMERB-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61634;MM61634;C=CC#CCC(CO)NC;YEVPFKZNDKHQOC-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61635;MM61635;C=CC(C)(C)NCCO;VWUKOYDRWGHWBN-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61636;MM61636;CC#CC(O)(CO)COC;NBBWHIPHGVBUKL-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61637;MM61637;CNC(=N)NN=CNC=N;RCQUZGCXJLCORV-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61638;MM61638;CC#CC(O)(CO)CC#N;OZWXGGBQCIHNCP-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61639;MM61639;CC#CC(F)(CO)CC#N;FTOXLSXCTOQGFQ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61640;MM61640;C=COCC#CCNC;AMSQJLSYAHWLCD-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61641;MM61641;CCNC(=O)CC(N)CC;JOZRRKCZRXSSOK-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61642;MM61642;CC#CC(C)(CO)NC=O;ALLKYDXAWPQEDN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61643;MM61643;C=C(C)C(=CC(N)=O)CN;QCAFOXFQFIWXHS-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61644;MM61644;CC(C)N=CNCC=O;VQDKRMIBEVMJTI-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61645;MM61645;C#CCC(O)(C#CC)CO;HTHLUIDCUCMKST-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61646;MM61646;CNCC#CCOC=O;AXFKVWSSDDFCLZ-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61647;MM61647;CNC(=N)C(F)C=CCN;XIPQYFLZNRMCBP-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61648;MM61648;C=CC(O)(C#CC)CCO;DIFZYDSODVXODU-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61649;MM61649;CCC(C)(C=O)CN(C)C;HUQCNIGTVBBWBJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61650;MM61650;CC#CC(O)(C#N)COC;WGGASJWPLRQWAO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61651;MM61651;CC#CC(O)(C=O)CC#N;LMBHGNIWNMSTRC-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61652;MM61652;CC#CC(O)(C#N)CC=O;NNINCBMICHCZCH-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61653;MM61653;CC#CC(O)(C#N)CC#N;NHSGRTHODVRALU-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61654;MM61654;C#CC(N)(C=C(C)C)CN;ZAPWBUPNGSBWMB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61655;MM61655;CC#CC(C)(C=O)NC=O;KDEAZKJBQARJEO-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61656;MM61656;CC#CC#CC(C)(N)CN;JLNUHXMIMZEPNJ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61657;MM61657;N=CNC(=O)NN=CCO;LZIHDWNVVGXONX-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61658;MM61658;CC(N=CN)C(=O)CCF;CXEMFRYPAXWWTF-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61659;MM61659;C#CC(O)(C#CC)CCO;RWLIHDGKKCULAS-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61660;MM61660;COC(C)(C)C(=N)NC=N;HJPHXMUMZCDKDH-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61661;MM61661;C#CC(C=O)OC(=N)NC;OBMMSACDSHCNKL-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61662;MM61662;C#CCC(C)(CN)NN=C;WZFJCPNQLGXRCC-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61663;MM61663;C#CC(O)(C#CC)COC;RYHXFYZFZSSTGR-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61664;MM61664;C#CC(O)(C#CC)CC#N;CUPPOMOVEUNHTH-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61665;MM61665;CCCC(F)(CN)C(C)N;SHQHVIJUXAXSAY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61666;MM61666;C=CC(F)(CNC)C(C)N;UKJOIINZOYLPBO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61667;MM61667;CC=CC(O)(C#N)C=NO;NJACAOHKGSLZGJ-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61668;MM61668;C=CC(O)(C=NN)C=NO;KLTTZVNYSKVKLA-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61669;MM61669;CC(=NN(C)C=N)N(C)C;LKPXOJFYDWTWTN-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16467;MM16467;O=CC(F)(C=NO)C=NO;LCPNMHIIUIFMPO-UHFFFAOYSA-N;148.09;-0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61670;MM61670;C#CC(O)(C=CF)C=NO;BZRYHWCMCFKSSG-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61671;MM61671;CC#CC(N)C#CC(C)N;QUVYYIQYQGCXHA-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61672;MM61672;C#CC(C)(C=NN)C=NO;QPTRSRKBUXSPRJ-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61673;MM61673;CC#CC(O)(C=CC)CO;HAASTUIRABDRCW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61674;MM61674;CC#CC(O)(C=NN)CF;ZREAPLBTDVEXAS-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16443;MM16443;CC#CC(O)(C#N)C=NO;CTRDKDDHHCUWKK-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61675;MM61675;C#CC(O)(C#CC)C=NN;GWPRZAIQHIKTPT-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61676;MM61676;C#CC(O)(C#CC)C=NO;FKPIZKFDYOOUMN-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61677;MM61677;CCCC(C=O)N=CN;HJGHYGQXLZMZKG-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61678;MM61678;C=C(C)C(=N)N(N)C(C)=N;CXGNKAMLLWRJIB-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61679;MM61679;C=C(F)C(N)C#CC(C)N;MRETZHMCPFPBIA-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61680;MM61680;CCOC(C#N)OC(=N)N;QQRTUONRWSTUMX-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61681;MM61681;C=C(C)CNCC#CCN;WZKMJKMNLHFJBS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61682;MM61682;CNCC#CCOC(C)=O;KGAQYORLYFUHQD-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61683;MM61683;C=C(CC#N)N=CNC=N;MXCLIBPXNCXUKO-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61684;MM61684;CC(N)=CC=NNC(=N)N;IQJLRSXQKDZUOV-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61685;MM61685;CC(=CCF)N=CNC=N;AUYAUEIZNNDXRN-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61686;MM61686;CC=CC(=N)N(N)C(C)=N;ZIWHWBSPTRRGKW-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61687;MM61687;CNN=C(NOC)N(C)C;ITSLBQJEJQYMHL-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61688;MM61688;C#CC(N)(CN)C(=C)CC;PYGFTCQUDVMCJI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61689;MM61689;C#CC(N)(CN)C(C)=CC;KCHYPLPBZTVAQC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61690;MM61690;CCNCC(F)(CC)CN;LPAFVMCZEBVLPG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61691;MM61691;C#CC(N)(C=CCC)CN;RTVVBNJIUKSEMJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61692;MM61692;C#CC(N)(C=CC=C)CN;ZOLDCIHUXNWNDV-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61693;MM61693;C#CC(C#C)(C#C)CNC;RVFFOMQUSOFPNQ-UHFFFAOYSA-N;131.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61694;MM61694;C=CC(=N)NC=NN;YORJLQHTMWTZAF-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61695;MM61695;C#CC(C=CC)(CN)NC;GFDRAWPUVDOKLB-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61696;MM61696;CNC(CF)CCC(C)F;RVJYQIXFJYFZMK-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61697;MM61697;CNC(C)C(F)CCCF;OMRAOHSNTZNHAX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61698;MM61698;CNC(CCOC)=NN;QTJBJIZAFODCRF-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61699;MM61699;CNC(C)C(F)CCC#N;HGPNMBKNWVYTTH-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61700;MM61700;CCOCCC(=NN)NC;AKIKDJUXOVCOHG-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61701;MM61701;CC(O)C(C)(CO)CC=O;OIGXCYGYEGGGKW-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61702;MM61702;CC(O)C(C)(CO)CC#N;TUTDLEXXDGYDIB-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61703;MM61703;C#CC(C=O)C(=N)NC=C;HVIXDFFQSIIOLR-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61704;MM61704;CCC(O)(CC=O)C(C)O;GLRPNCKRNYJNBT-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61705;MM61705;C=CN(C=NO)CCC#N;HWBPXRRWGXJWPU-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61706;MM61706;COC(C)(CC#N)C(C)O;YBXJTUIXGMXZIV-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61707;MM61707;C#CC(C)=C(NC=N)OC;ZWCTWLKLQRMNFX-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61708;MM61708;CCC(=NNC)C(=N)N;RLZCDSKCFCJOLL-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61709;MM61709;CCNC(=N)C(C)=NN;SNWLCUBXQWWZPD-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61710;MM61710;C#CC#CC(CN)NCC;GASKVDMZUWMOEK-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61711;MM61711;C#CCC(N)(C#C)C(=N)N;IQXIYATVSNADAR-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61712;MM61712;CNC(CF)CCCC#N;FFKBUGSQCJVTLR-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61713;MM61713;C=COC(C)(OC)C(C)O;XQAUCLISFOJAIO-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61714;MM61714;C=CCC(=N)N(C=C)OC;NNYIGFBAYBZTAZ-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61715;MM61715;C#CC(CC=CCN)=NO;QXCWZKMMNJQQFI-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61716;MM61716;CC=C(CN)COC=NO;HHDMCXNFDLIGPS-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61717;MM61717;C=CC(=NNC=O)C(=N)N;YWGFYJIAACULKQ-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61718;MM61718;C#CC(O)(COC)C(C)N;NDOMPGITANBPNH-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61719;MM61719;C=CN(N=C)C(=N)NC=N;XEDYCKYSEMPOMH-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61720;MM61720;C#CC(C=CN)=NNC=O;MBNOSSUZAHGHAG-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61721;MM61721;C#CCC(O)(CO)C(C)C;XEEVPMZJQLZURR-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61722;MM61722;CC(F)(F)C(O)CN;ZYGRRLAIWNYDKA-UHFFFAOYSA-N;125.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61723;MM61723;C#CC#CC(C)(O)C(C)N;GWHMFPBUZOZAGJ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61724;MM61724;C#CC(O)C(=CF)C(C)N;NWSLJPNFFOOONJ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61725;MM61725;C#CCC(F)(CO)C(C)O;MKKOTAZKWZUAEQ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61726;MM61726;C=CNC(=N)OC;BCKXKLHNUUCPGX-UHFFFAOYSA-N;100.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61727;MM61727;CC#CC(=N)NN;KPSCZQXCOFZWHJ-UHFFFAOYSA-N;97.12;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61728;MM61728;CC(N)C(F)CF;MTJOILVUBAMDKI-UHFFFAOYSA-N;109.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61729;MM61729;CC(N)C(C)(F)CN;AIUUXVJPTJAVBZ-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61730;MM61730;C#CC(CN)OC=C;GHKNMGGNELSAGP-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61731;MM61731;CC(F)C#CC(O)C(C)N;VLQAQKLOXUIUIC-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61732;MM61732;CC#CC(CN)OC;FIOMSTHNCWJPQA-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61733;MM61733;COCC(C)(C=O)C(C)O;CFFKCGAIITUXAE-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61734;MM61734;COCC(C)(C#N)C(C)O;BVHIZDLZSTYNAW-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61735;MM61735;COCC(O)(C=O)C(C)C;CDDXHBLDGUBWBU-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61736;MM61736;CCOC(C)(C=O)C(C)O;ANMYKJUQPLJOSQ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61737;MM61737;CCOC(C)(C#N)C(C)O;XUTOEEULEQIROR-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61738;MM61738;NCC=NNCCN;WWHYHDVTXWNFHU-UHFFFAOYSA-N;116.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61739;MM61739;CC(CN(C)C)C(O)CF;CASSRHUBQQKYMV-UHFFFAOYSA-N;149.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61740;MM61740;CNN(C)C=NC(C)C;SSAOCXZIRYOHMK-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61741;MM61741;C#CC(N)C#CC(C)N;HZDVWVOXXFQAJR-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61742;MM61742;CN=C(CC(F)F)NN;DSZQDEMINMMNAQ-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61743;MM61743;CC(O)C(C)(C=O)CC#N;ZFKIHPVDNAHWAX-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61744;MM61744;CC(O)C(C)(C#N)CC#N;HLVOAHQHMPTPKX-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61745;MM61745;C=CC(O)(CC#N)C(C)O;XOWISRPPPAWCGF-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61746;MM61746;C=CCC(O)(C#N)C(C)O;YPTOWAZKHKCKEG-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61747;MM61747;CC(O)C(O)(C=O)CC#N;XHQSJNAYXNWNRZ-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61748;MM61748;CC(O)C(O)(C#N)CC#N;GLRPICRZNNLAFP-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61749;MM61749;CC(F)C(O)(C=O)CC#N;FZTKVTYNFDLWSL-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61750;MM61750;CC(F)C(O)(C#N)CC#N;XWIGDSPYJAOYDY-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61751;MM61751;CC(O)C(F)(C=O)CC#N;APLMXSKCLVQMSF-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61752;MM61752;CC(O)C(F)(C#N)CC#N;JNHMPBLMFXRBDF-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61753;MM61753;N=CN(O)C(=N)N;BGLUNJRDJMYRQH-UHFFFAOYSA-N;102.1;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61754;MM61754;CC(F)C(C)(C#N)NC=O;WKOSUKBPIBBQFV-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61755;MM61755;CNC(C)C(F)C(C)C;LMBXPXGPQDZMHN-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61756;MM61756;C=C(CC)N(O)C(C)=N;GCUYAXPWFIUILI-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61757;MM61757;C=CC(C)(O)CN(C)C;MOEVGCWCEFCQSA-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61758;MM61758;CCNNC(=O)C=CF;GPMMSBMOVVEQBX-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61759;MM61759;C#CCNC(C=CN)=NO;FTQRDVSILAPKLZ-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61760;MM61760;CNCC=CC(=O)OC;PMVWCQUEDYFAPT-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61761;MM61761;CCC(N)C(F)CNC;AGVMOUCOOZLFNV-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61762;MM61762;CC#CC(=O)NCC(C)N;AVVLTRHJGJHPOH-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61763;MM61763;C#CCC(O)(C#N)C(C)O;KAZZYSUJTVTWEI-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61764;MM61764;C=C(OC)C(N)CCF;SAIKQHRODLRRPT-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61765;MM61765;C#CC(O)(C=C)CNN=C;VVBJPLLMCIRQAD-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61766;MM61766;C#CC(C)(CCO)C(C)O;CMQKFQYEGBJYFN-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61767;MM61767;CC1C(N)C1O;QJAQUWUOMONTHL-UHFFFAOYSA-N;87.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61768;MM61768;CNCCC#CC(=O)NC;NKUKINRACVNWHR-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61769;MM61769;C#CC=C(C#C)CNC;KZYIFMWEYMKBOX-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61770;MM61770;CN=C(N(C)O)N(C)C=N;VIHWYRLNZVOEGV-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61771;MM61771;CNCC(=CF)C(C)F;MELKLOWWLMRHER-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61772;MM61772;C=NNCC(=O)NN;XXYNEEHMEGXGON-UHFFFAOYSA-N;116.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61773;MM61773;C=NNC(C)(C)C(O)C=O;VLGWJGMVPCQKJW-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61774;MM61774;CNCC(CF)=C(C)F;IGSYJWLSAJXFQA-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61775;MM61775;C#CC(C=C)(CN)OC;RZLMMBOWROBUDB-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61776;MM61776;C#CC(CN)OC=CF;GXBBEQXXGIBUET-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61777;MM61777;C#CC=CN=CNC=N;HLFMBDGPNMMLJU-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61778;MM61778;C#CC(C)(N)CN(C)CC;CFTTUPMUCMRXAP-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61779;MM61779;C#CC(O)(CC#N)C(C)C;MMNJVRHZJAAMAH-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61780;MM61780;CC1(O)CC1N;KHOLGVBZFUYYCB-UHFFFAOYSA-N;87.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61781;MM61781;C#CC(O)(CC=C)C(C)O;SOCRHQHWJCQMNL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61782;MM61782;C#CC(O)(CC#N)C(C)O;XKGSMTVORRJEGY-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61783;MM61783;C#CC(O)(CC#N)C(C)F;GZLJHVPHWFJQDM-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61784;MM61784;C#CC(F)(CC#N)C(C)O;LRQRPICUFQBPDD-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61785;MM61785;C#CC(=CCNCC)CO;KEKAIRVZZRLCSQ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61786;MM61786;C#CC(C)(NC=O)C(C)O;JBEWIARFKQAJBJ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61787;MM61787;CC(N)(C#CCN)C=CF;OBWGAJIZHURGTH-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61788;MM61788;C#CC(N)C(C)(C)N(C)C;UFAYDMVPXVADNY-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61789;MM61789;C#CC(=C)NC(=NC)NO;OJXWVISDFMSXNP-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61790;MM61790;C#CC#CC(CN)C(C)O;SXXNEBRGCZPGAP-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61791;MM61791;C#CCC(O)(C#C)C(C)O;UPZXMJFUBAXUGA-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61792;MM61792;C=C(C)CC(C)NCCF;FZPWQVCEFWREJQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61793;MM61793;C=CC(C)(C)N(C=N)NC;XYDYCWZLDCVXFV-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61794;MM61794;C=C(C)C(F)CC(N)CF;ZFGPSAHBEJPPBC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61795;MM61795;CC(O)CC(=NN)N(C)C;GURDMXALPRUUPQ-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61796;MM61796;C=C(C)CCNC(C)CF;XWYSNGFAQPUHNC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61797;MM61797;CCNC(=N)OC(C)OC;SHGVJYMNNMINKY-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61798;MM61798;CNCC(=CF)CN(C)C;HMELORXLYYYDRE-UHFFFAOYSA-N;146.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61799;MM61799;C=NOCOC(=N)NCC;SOMKYYNULAONSY-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61800;MM61800;CC(=O)CC(C)NCCO;LFCQAHQUVDKCSL-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61801;MM61801;C=NOC(=O)C=CCNC;GRDUGFHBLHEKNG-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61802;MM61802;CNC(C)COC(N)=O;WLZNIYCHZMQMDM-UHFFFAOYSA-N;132.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61803;MM61803;C=CNC(=N)C#CC=NN;WSSGZJFTMDOYOW-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61804;MM61804;COCC(C)=CN=CNN;ZKRPPBIMAXNLJK-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61805;MM61805;CC(N)CNC(=O)C(C)C;JLBZBBHCZAODDD-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61806;MM61806;CCCC(N)C(F)CNC;OLGCEIXKVAAVAT-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61807;MM61807;CNCC=COCCC=O;JZLNOGYSAQVCHM-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61808;MM61808;CCOC(C)C(=N)NC=N;CYKGZFMOOFWXQT-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61809;MM61809;COCC(=N)N(C)CC#N;LDOFDXYLMNISEB-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61810;MM61810;C=C(F)C(N)C#CCNC;QXECCBIOQPABDB-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61811;MM61811;CC(CC=O)OC(=N)N;NXVXUPDEMSLSRC-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61812;MM61812;C=NOC(COC)C(C)N;VKFHVPNTIVNVMQ-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61813;MM61813;C=NN=CC(N)(CC)CN;YACRFWNIVGULJO-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61814;MM61814;CN=CNN(C)C=CC#N;ZTKINGFJINARJB-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61815;MM61815;CNCC(=CF)CCCO;WQOXULWJNVZOTO-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61816;MM61816;CC(C#CCF)ONC=N;QHDCOPCBQFMGIF-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61817;MM61817;CC(=O)C(C)(CO)CC#N;MSVUZTVTKZEJOL-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61818;MM61818;CC(C#CC#N)ONC=N;TUDKWIZHVHVUPN-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61819;MM61819;C=NOCC(=N)N(C)CC;XYQYZWOZVATVPG-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61820;MM61820;CCC(F)=C(CF)CNC;CDCWNEJPHCVPCO-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61821;MM61821;C#CCC=NNC(=N)NN;YPTVNSNCIMRRPE-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61822;MM61822;C=C(C)N=CNCC=O;SHYSPWQBDYQWDX-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61823;MM61823;C=C(C)C(O)(CO)CC#N;GKVBOJBZCVVLHA-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61824;MM61824;C=CCC(O)(CF)C(C)=O;LKJCFJSFNQYNKA-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61825;MM61825;C=C(C)C(F)(CO)CC=O;LKMLIAUQORFHLH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61826;MM61826;C=CNC(=NC=O)N(C)C;UHXIOHBGWZUFEH-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61827;MM61827;CC#CC(CN)OCCF;HYGQXXNQQXSOMO-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61828;MM61828;CC(=O)C(C)N=CN;XGWUPKZRXQJGJT-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61829;MM61829;CC#CC(CN)OCOC;KOYWGCWEQRFVMJ-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61830;MM61830;CN=CN(C=CCF)NC;PMDZNXSDSDEFNO-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61831;MM61831;COC(C)(CC#N)C(N)=O;SDSJOCVUZPUWEO-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16196;MM16196;COC(C)(CC#N)C(=O)O;WKBMPTQIXRULRQ-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-formamido-2-methylbutanoic Acid";MM03604;CCC(C)(NC=O)C(=O)O;RNYWSZRNDSBYAY-UHFFFAOYSA-N;145.16;-0.01;567616;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61832;MM61832;C=CC#CC(CNC)NC;BMJSOQBSJOYTFJ-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61833;MM61833;N=C(N)NN=CC#CCN;JGADZPVSXDMAQQ-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61834;MM61834;C=NNC(C)(CC)C(=O)O;FLMIYISABYNGLX-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61835;MM61835;C#CCC(C)(CF)C(N)=O;WOKCYCBMCLZEHT-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16545;MM16545;C#CCC(C)(CO)C(=O)O;JRLLJCSINSHTOJ-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61836;MM61836;C#CCC(O)(CO)C(=C)C;DQOXNADTDLCXFO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61837;MM61837;C#CCC(O)(CF)C(C)=O;AFZCGCPVWDUKNC-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61838;MM61838;C#CCC(F)(CO)C(C)=O;MNZPFHFNSXYQNO-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61839;MM61839;CCC(=NOC=O)C(C)N;IIPCXOWWFIELHK-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61840;MM61840;C#CCC(C)(OC)C(N)=O;QUGZMJLZZULRPJ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61841;MM61841;CC(=O)C(C)(C=O)CCO;MBKKCPVXBBLKEM-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61842;MM61842;NCC#CC(CN)=C(F)F;YPJLCVWETXXTNP-UHFFFAOYSA-N;146.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61843;MM61843;C=CC(C)(CCF)C(N)=O;IIHIPEPFUZFNHQ-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61844;MM61844;C#CC(CN)OC=COC;CZBSXRLVQFZZDQ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61845;MM61845;COC(C#CCCF)CN;QHCYXWKEMBADNB-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61846;MM61846;CC(C)NN(C)C(=O)NN;QRJYGGYFMHEZNY-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61847;MM61847;C=C(C)C(O)(C=O)CCC;ZIFOBKPHRPHICD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61848;MM61848;C=CC(O)(CCC)C(C)=O;AYJKQYKZZNXCOH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61849;MM61849;CNN=CC=CC(=O)NN;KUWDJZFRPCQIID-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61850;MM61850;CNN=C(C=C(C)C)NC;SOQTXTZNAHNCSM-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61851;MM61851;C#CC(C)(O)CNN=C;RUDUKRZUQDPJIC-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61852;MM61852;CC(=N)N(C)C(C)=NN;ZJKMDSDFWNPFIL-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61853;MM61853;C#CC(CN)=C(C)OC=O;KZHKGVGCDLNBBD-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61854;MM61854;C#CC(=CC(C)=O)N=CN;IHHWJFBQESJIIC-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61855;MM61855;CC(F)CC(N)CF;UMINPHVICLZGBH-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61856;MM61856;CCNCCOC=NNC;MPSUTRGFRHDADX-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61857;MM61857;COCC(C)(C#N)C(N)=O;HKFXDXQCPYMAST-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61858;MM61858;C=C(C)C(O)(C#N)COC;PKGZOIIFUMDDEX-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61859;MM61859;C=NNC(=N)N=CN(C)C;TWVWRICRKGUZNQ-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61860;MM61860;COCC(F)C(C)N;ITWQUOAUDZAWHN-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61861;MM61861;C=NN(C)CC(O)C#CC;DOYAMRSMEFTUHN-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61862;MM61862;C#CCCC(=NN)C(=N)N;ULGFSFYGDDUZIP-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61863;MM61863;CCOC(C)(C=O)C(N)=O;MBMLZKKOZVYAGL-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61864;MM61864;CCOC(C)(C#N)C(N)=O;FLJUXHWQAVXSCD-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61865;MM61865;C=C(C)C(C)(C#N)CC=O;UIAKQFJCAJAAPY-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61866;MM61866;C=CC(C)(CC=O)C(C)=O;FXYDTPDPXBBBPP-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61867;MM61867;C=CCC(C)(C#N)C(C)=O;INMHNAPTVHVDCF-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61868;MM61868;CC(=O)C(C)(C#N)CC#N;KSNOOUANCWTRHQ-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61869;MM61869;C#CC(=COC)CN;ZDZAOGWZGXTCOT-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61870;MM61870;N=CNC(C#CCF)CF;MFFBTAPAIAPCSF-UHFFFAOYSA-N;146.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61871;MM61871;C=CC(C)(CC=O)C(N)=O;KLGUVXNFIKBXSX-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61872;MM61872;C=CCC(C)(C#N)C(N)=O;MFVQCKYPXUYTKP-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61873;MM61873;CC(C=O)(CC#N)C(N)=O;VLNJUPNAQQWDQR-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61874;MM61874;CC(C#N)(CC#N)C(N)=O;IEHRXSWZFQVPCO-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61875;MM61875;C=C(C)C(O)(C=O)CC=O;LOIBTRNEDGASPQ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61876;MM61876;C=C(C)C(O)(C#N)CC=O;CKCFYOYPNURUAA-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61877;MM61877;C=CC(O)(CC=O)C(C)=O;SQKPXYODYQKIJV-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61878;MM61878;C=CCC(O)(C=O)C(C)=O;ANORKWSDSIHZFY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61879;MM61879;CC(=O)C(O)(C=O)CC#N;NHNLNPOBNKJLBJ-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61880;MM61880;CC(=O)C(O)(C#N)CC=O;KBDNGWDMPLBYJL-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61881;MM61881;CONC(=N)C(N)=CC#N;MJCISVREBOMZCK-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61882;MM61882;CC(C#CC=CCN)=NO;SZDLPWAMGJCTRS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61883;MM61883;N#CCC(O)(C=O)C(N)=O;BWDISSSIJZYUMH-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61884;MM61884;N#CCC(O)(C#N)C(N)=O;CUBXPMMTSQTBTN-UHFFFAOYSA-N;139.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-ethenyl-2-hydroxypent-4-enoic Acid";MM03635;C=CCC(O)(C=C)C(=O)O;CKWOZGVNHIZKCE-UHFFFAOYSA-N;142.15;0.56;17841420;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61885;MM61885;CNC(=O)NC(=N)NC=N;NZYOZUOGLLXXKY-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61886;MM61886;C=CC1(N(C)C)CC1;QBKWOPLEQNPKBA-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61887;MM61887;C=CCNCCOC;VMKXOTJJMSFGPO-UHFFFAOYSA-N;115.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61888;MM61888;N#CCC(F)(C#N)C(N)=O;NRUCVZYMDAKWIX-UHFFFAOYSA-N;141.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61889;MM61889;CC(C)(C)NNC=O;OWJMLTGJKYRVOD-UHFFFAOYSA-N;116.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61890;MM61890;C#CCC(O)(C#C)C(=N)N;ZHUCCSJBLUAPAT-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61891;MM61891;CC=NNCCNC;HQYTUCLVKZKKPR-UHFFFAOYSA-N;115.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61892;MM61892;C#CC(O)(C(=C)C)C(C)N;JCNGOCGIKOXFRT-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61893;MM61893;C=NOC(C)(C)CNC;TYBMUMXXAVCMKU-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61894;MM61894;CNN=CC(C)(N)CN;WQTUTIKUOLCMCA-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61895;MM61895;C=CC(O)(C#CC)C(C)N;QMFCPFZTOFFQPR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61896;MM61896;CCC(F)CC(N)CF;XNHGWUFDDNIDKN-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61897;MM61897;C#CCC(C)(N)C(O)C#C;GSRLBPMGTXETEQ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61898;MM61898;C#CCC(O)(C#N)C(C)=O;AKNFYSNWTQLLIQ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61899;MM61899;C#CCC(O)(C=C)C(=O)O;XUDUOMFMQHOMAK-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61900;MM61900;CCC(C)NNC=O;FRJJGMVBGWREHG-UHFFFAOYSA-N;116.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61901;MM61901;C#CC(C)(CCF)C(N)=O;IWFMKXSXIHKEOX-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61902;MM61902;COC=CC(=N)NC=N;CZOPTUSJDWUVGC-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61903;MM61903;C=NOCC(F)C(C)N;HFPTYSKJLAQMLA-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61904;MM61904;C#CC(O)(CCC)C(N)=O;MWOZAROLBUQEBW-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61905;MM61905;C#CC(F)(CCO)C(C)=O;HTAUZIDLZUNRRD-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61906;MM61906;CCON=C(C)C(C)N;HKZGXTZBMHXPOJ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61907;MM61907;C#CC(F)(CCF)C(N)=O;YLJCSOKKNAZMFE-UHFFFAOYSA-N;147.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61908;MM61908;CC#CC(O)C(N)CCF;TYJOPMNYTFJUFB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61909;MM61909;COC(C)C(=N)NC=N;RXTVPNNSTUOOMG-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61910;MM61910;C=C(C#CC(C)O)C(C)N;WVFAEUCXMUKBSC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61911;MM61911;C#CC(C#C)(C#C)CN;HRCOWEXTMSJEGY-UHFFFAOYSA-N;117.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61912;MM61912;C#CC(C)(COC)C(N)=O;PEJFTRHKTZEWSP-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61913;MM61913;C#CC(O)(COC)C(=C)C;BLOVKMIWTBWEGO-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61914;MM61914;CC(=N)N(O)C=C(C)C;HGSHKBMSBWSQSK-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61915;MM61915;C=CC=NNCCNC;JPCKKPHEMRKIOP-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61916;MM61916;CN(C)CC(F)C(C)(C)N;PFBAUKRUZRCMRM-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61917;MM61917;CCC(N)C(OC)C(C)O;VGVDVOCMMOAGBG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61918;MM61918;CC(C)(N)CN(C=N)C=N;KJZVADOFOBNDQD-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61919;MM61919;C#CC(C)(OCC)C(N)=O;KDEKYJDEGXFTQL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61920;MM61920;C#CC(C)(N)C#CC(C)N;SVGBWHWWNSMMNY-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61921;MM61921;C#CC(C)(CC#N)C(N)=O;ZVDYTSOLDWTROC-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61922;MM61922;C#CC(O)(CC#N)C(C)=O;XJERBXXDPGEUTB-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61923;MM61923;C=COC(CO)C(N)CC;JKXKQMPWRXSTCO-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61924;MM61924;C#CC(O)(CC#N)C(N)=O;FAFLTTRAPRUGDE-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61925;MM61925;COCC(C)(C)N(N)C=N;HGCYSKJGUCGPAO-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61926;MM61926;C#CC(F)(CC#N)C(N)=O;OAMJZCBFNAAXCU-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16147;MM16147;C#CC(F)(CC#N)C(=O)O;PWKXBEOKMODPDI-UHFFFAOYSA-N;141.1;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61927;MM61927;CCCCN(O)C(C)=N;ONZWQLZSNNLXMP-UHFFFAOYSA-N;130.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61928;MM61928;C#CC(C)(NC=O)C(C)=O;NKRZXIGQOLNQPT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61929;MM61929;C#CC(C)(N)CC=NOC;TZBIMMUVKQIONF-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61930;MM61930;C#CC=CN(N)C(=N)NO;DFPCNBZNYGIZHN-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61931;MM61931;C#CC(=CC(C)NC)CO;HIJKDYKFFVQKPU-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61932;MM61932;C=C(CNCC)C(C)O;UXDUACAFDOPNLL-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16463;MM16463;C#CC(C)(NN=C)C(=O)O;JUYBZFUUQLFXHC-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61933;MM61933;CC=NN=CC(C)(N)CN;RWGLCFFBKPSJFH-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61934;MM61934;C#CC(C)(OC=C)C(N)=O;CZKIWPCIINRSIQ-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61935;MM61935;CCC(F)(CNC)CNC;GOKFMJYNDOXZHJ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61936;MM61936;C=CCOC(=C)C(=N)NO;ZDVZKZIBHARPNW-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61937;MM61937;C#CCC(O)(C#C)C(C)=O;AGGCSCNSLFVODZ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61938;MM61938;CN=C(C)NO;JCAXHWPMKMMFKM-UHFFFAOYSA-N;88.11;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61939;MM61939;CC(C(=N)N(C)C)=C(F)F;YANQGSJUFANWJI-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61940;MM61940;CC(=O)ON=C(C)C(C)N;DOSCRCXHARRPMN-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61941;MM61941;C#CC#CC(CN)CO;KCQVZMQBGHDHDB-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61942;MM61942;C=NN(C)CC#CC(C)N;NIFGUABFPZQQED-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61943;MM61943;C=CC(N)CN(C)CCF;GCONJVGIYOOYJE-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61944;MM61944;CNCC=C(CO)CF;RPYQXBMTVSVBDI-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61945;MM61945;CNC(CO)CC#CCF;KLSNZYUHCVWASX-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61946;MM61946;C#CC(O)(C=CC)C(C)O;AQNICPCPUAFPMK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61947;MM61947;C#CC#CCC(N)CO;TVVYERRLFRIKJU-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61948;MM61948;C=CC(=NNC)C(O)C=C;ICRTVBIEBXMIAH-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61949;MM61949;C#CC(C)(C=NO)C(C)O;DJVBECDKSVEZOT-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61950;MM61950;CCOC=CC(N)COC;NEYZGTNUKNVISI-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61951;MM61951;C=C(CO)C(C)NC;SGEXYBPFUVTOLD-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61952;MM61952;C=CCC(=N)N(C)OCC;XNDLKILVEAEHKD-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61953;MM61953;C=C(CO)CNCC;ORBGKGXRJGGCLG-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61954;MM61954;C=C(CO)CCN(C)C;XFRUYHXSRHSPFY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61955;MM61955;CC(CO)CN(C)C;FZASHPCRPMSFEG-UHFFFAOYSA-N;117.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61956;MM61956;CCC(C)(C=NN)C(=O)O;VVLUETPIOXFZCF-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61957;MM61957;CC(=CC#N)C(=N)NC=N;XNQWNRDUVSZHCG-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61958;MM61958;C=C(OC=NOC)C(C)N;ANFKPPYKGOLSLP-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61959;MM61959;CC(C#N)(C=NO)C(N)=O;GQRZQOZJDGWJIL-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61960;MM61960;CC(=NOCCF)C(C)N;YROZNJAZBWAHAT-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61961;MM61961;C#CC(=O)N=C(N)NC=N;BHEBVCZFSMNGIX-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61962;MM61962;C#CC(O)(C=CF)C(C)=O;DBNLPMLMVFMMED-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16375;MM16375;C#CC(O)(C=CC)C(=O)O;ZAMRGUIJYLDXBM-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61963;MM61963;COCON=C(C)C(C)N;XDEDKPZURZBSBE-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61964;MM61964;C#CC(C)(C=NN)C(=O)O;BNYNBPGPLHUVFI-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16407;MM16407;C#CC(C)(C=NO)C(=O)O;SSBROGCONWQZEM-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61965;MM61965;C#CC(C#C)C(N)CCO;MUBAOOMSNQBIMW-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61966;MM61966;C#CC(O)(C=NO)C(=C)C;WRBBTWPYDUPMOP-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61967;MM61967;C=CCNCCCO;REEDHRZKDCEJEW-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61968;MM61968;CC#CC(C)(CO)C(C)O;IGHRUXSDWUVIDK-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61969;MM61969;C#CC(C)(C=O)C(N)=NC;ONXMVBDZKHJIFQ-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61970;MM61970;CC#CC(O)(CO)C(C)C;QROVQPMKKMGENT-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61971;MM61971;CCOCCNCCCO;SGENTRBCXVXWRL-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61972;MM61972;CC#CC(O)(CC)C(C)O;HOHZRPDKNVOUEI-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61973;MM61973;C#CC(CCCCO)NC;WNKNYUSIWPDWDP-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61974;MM61974;CC#CC(O)(CO)C(C)F;GDOWFVSHYCKGQB-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61975;MM61975;C#CC(C=C)(CN)NCC;ZKLYJIAUIANHCY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61976;MM61976;COC=C(CC=O)N=CN;DXCJELBOEFPHNX-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61977;MM61977;C#CC(C=O)CNC;LWVXHEWWDLKDLX-UHFFFAOYSA-N;111.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61978;MM61978;CC#CC(O)(C=O)C(C)O;QMHPNKCLTFQUCA-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61979;MM61979;CC#CC(O)(C#N)C(C)O;AVPUZOYKKIUMMK-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61980;MM61980;C#CC(CN)(NC)C(=C)C;DCWKGDHWRBQJRR-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61981;MM61981;C=C(C)NC(=N)CC#N;ZUGICVSFFFXAIC-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61982;MM61982;CNN=C(C)NC(C)C;KPQBLHFOCKSVHV-UHFFFAOYSA-N;129.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61983;MM61983;C#CC(O)(C#CC)C(C)O;LTCUYUSJNDAFEP-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61984;MM61984;C#CC(=CF)CC(N)CF;AAAQWIKQZMXPQY-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61985;MM61985;CC(C)C=CN(C=N)C=N;QUVJEHUQUHEWPB-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61986;MM61986;CNC(C)COC=NN;GQKBTYMAGXQAAS-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61987;MM61987;CNC(C)COC(C)=NN;ITYUDZQBJCSMJQ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61988;MM61988;CCCC(=NN)C(=N)N;CXQIFKKBTVSXNL-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61989;MM61989;C=C(F)C(O)(C#CC)CO;ILJCZTLVIGOOFL-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61990;MM61990;C#CC(=COC(C)=O)CN;BBRQRLOXKLGXMN-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61991;MM61991;CC(C)CC(=NN)C(=N)N;BGMXYDMJUIZSJK-UHFFFAOYSA-N;142.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61992;MM61992;C#CC(C)C(=N)N(C)C=N;GBGPBGWCMOTBRY-UHFFFAOYSA-N;137.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61993;MM61993;CC#CC(C)(OC)C(N)=O;WBCDCEYKEOYYSL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61994;MM61994;C=CC=NN(C)CCNC;BYSJFYGQPZZWIB-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61995;MM61995;C#CC(=CN)C(=N)NN;JMYSEDWQWPZXTQ-UHFFFAOYSA-N;124.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61996;MM61996;CC#CC(C)(C=O)C(N)=O;QXKSABZLWRJKOS-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61997;MM61997;CC#CC(C)(C#N)C(N)=O;AZPSCZNMIQYSLN-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61998;MM61998;C=CNC(=O)N(N)C=N;ADPIDZRAODASSZ-UHFFFAOYSA-N;128.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM61999;MM61999;CCCNC(C)C(F)CN;ABLLKVXUGIJSAX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62000;MM62000;C=CCC(O)C=NN;QXOJFTRGNXCFAN-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62001;MM62001;CNN=C(NO)OCC#N;UUWOIPZDWKGFGQ-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62002;MM62002;C#CC(O)(C#CC)C(N)=O;SWIWNHBZLGWLHO-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16284;MM16284;C#CC(O)(C#CC)C(=O)O;HZMDASIDZUGGOL-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62003;MM62003;C#CCNCCC(=C)OC;XIQUSNKVEKFDRO-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15416;MM15416;C#CC(F)(C#CC)C(N)=O;LGZDFGYGXQXKMN-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62004;MM62004;C=CC(C)=NNCCNC;KYAJQTWCLVFULN-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62005;MM62005;CNCC(C=NO)=C(C)F;VVWWCPWYINISCU-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62006;MM62006;CC#CC(CN)=C(F)CN;FHINLTNNFVOQBH-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62007;MM62007;CCNN=CC(C)O;VQHWCZNPTIHLNM-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62008;MM62008;CC=NN(C)C(CO)CO;BEVYRJAJQWFLBJ-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62009;MM62009;C=CCN(CCNC)N=C;STCHFHAKHMETIR-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62010;MM62010;CNN=CC(CN)=C(F)F;OSOWIYBFYHPSRS-UHFFFAOYSA-N;149.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62011;MM62011;C=CC(COCOC)NC;NCSBZMJAJCFYJY-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62012;MM62012;C=CCNCCOCC#N;XZVUFTLIGHGJCY-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62013;MM62013;C#CCOCCNCC=C;UVJIGDOCPQZGOS-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62014;MM62014;C#CCC=NNCCNC;JKOPIXXZCVEBIJ-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62015;MM62015;NCCOCCCC=NO;CFCLAPSPSDBORA-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62016;MM62016;N=CNC(=N)NC(N)=O;GEVNWNATSFEYRG-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62017;MM62017;CN(C=N)C(=N)NC=O;YVRIAOLNZOHCDF-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62018;MM62018;NC(CF)CCF;MYFYSGLCQREBNZ-UHFFFAOYSA-N;109.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62019;MM62019;C=C(C=NO)C(C)N;WBRWRNLKUDONML-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62020;MM62020;C=NNC(=O)C#CCCN;JLWCDFKEHPQLMS-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62021;MM62021;C#CC(O)(C(=C)C)C(C)O;OBAFROKZTSZZNS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62022;MM62022;C#CC(CN)OC;WLIAPYNBJXBLFB-UHFFFAOYSA-N;99.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62023;MM62023;C#CC(O)(C=C)C(=N)NC;LAPJKHCFXBVJFB-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62024;MM62024;COC(=N)NC(C)C;FBQLCIACDFJWJY-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62025;MM62025;C=NNC(C)(CO)CC=O;RBJJGDBOROQNNI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62026;MM62026;CC=NOCC(=N)N;CULWXXWFFSQMKQ-UHFFFAOYSA-N;115.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62027;MM62027;C#CC(O)(C=CF)C(C)N;XOLOIUWBXAXBAF-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62028;MM62028;C=C(C)C(C)(C#N)C(C)=O;QDAKXNABHOCGPG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62029;MM62029;C=C(C)C(F)C(C)N;LCPNBGSKQUAEMN-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62030;MM62030;CN(C)C(=N)C(=NO)NN;MIIQJOWAHYXZRN-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62031;MM62031;CCC(N)C=NOC;BTRQVUSYJAJWJL-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62032;MM62032;C#CCC#CC(O)C(C)N;JHYPMLVMKVHEOP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62033;MM62033;C=CC(COC)NC;IXMXZVPYLYCNQT-UHFFFAOYSA-N;115.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62034;MM62034;C#CC(O)C(C)NC;QCJNEIGTPOOSTP-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62035;MM62035;C#CC(CN)OCC;ZHRMOKCGUAKYFZ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62036;MM62036;C#CC1(NC)CC1C;SPIXDNWSVBGPOF-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62037;MM62037;C=NN(C)C(C)(C)CN;UWHYURIYJGNBRY-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62038;MM62038;CC(C)C(O)CC(O)CF;UTTOFBGUUPIENY-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62039;MM62039;C#CC(O)C(C)=CCNC;FEJPOHAYTFQQTP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62040;MM62040;CC(CF)CC(O)C(C)O;AWIKNDYTQBZDNE-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62041;MM62041;CCC(F)CC(O)C(C)O;HOCKZYJUIBAYRR-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62042;MM62042;CNCC(C)(OC)OC;XNVKRPPKYQIIEP-UHFFFAOYSA-N;133.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62043;MM62043;C=NNC(C)(CC)CN;RRGMDNGXNFSNPY-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62044;MM62044;CNC(=N)OC(C#N)CO;INTVBEQPZOUCAZ-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62045;MM62045;CCN(C)CCC(O)CF;OEEUIIGTJYPUKD-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62046;MM62046;COC=NOCC(=N)N;GLAANYHGILNGRQ-UHFFFAOYSA-N;131.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62047;MM62047;C=CC(O)CC(C)C(C)O;QNDOTCXBAFMFHW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62048;MM62048;CC(F)C(C)CC(O)C=O;PCKOOLKWYAIYQT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62049;MM62049;C#CC=NOCC(=N)N;UKVMMYORWRMLBT-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62050;MM62050;CC(=NOCC#N)N(C)O;OMIHITBKPUQMDE-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62051;MM62051;CCNC(=N)OCOC;YIRBPJIRIOMANS-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62052;MM62052;C=CCCN(N)C(=N)CO;PZEQUZOMGUICDX-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62053;MM62053;CCOCC(=N)NC=N;PTWSRLYGIKVBEB-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62054;MM62054;CCCN(O)C(C)=N;NQUPWKNLVKRPPG-UHFFFAOYSA-N;116.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62055;MM62055;C=CC(O)CC(O)C(C)C;HOKSBAQJQZRSGQ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62056;MM62056;CC(C=O)CC(O)C(C)F;GUDJSBOMKWPDMI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62057;MM62057;C#CC(C)N(N)C(C)=N;MCPVMFNVQGERQA-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62058;MM62058;CC(C)C(=N)N(N)C=N;YAHHHHZVYSJUTR-UHFFFAOYSA-N;128.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62059;MM62059;C=COCCC(N)CF;AVRBYZKYEGLJPF-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62060;MM62060;CCC(N)C=NOC=O;MPYZAMLSSRISFI-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62061;MM62061;CNC(=N)C(F)=CCN;AYUYBWAULXKSHC-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62062;MM62062;CCC(N)C(CO)OC;BFXSBAVVPJZZCE-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62063;MM62063;CNC(COC)COC;VWTRQZQYASNOGM-UHFFFAOYSA-N;133.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62064;MM62064;C=CC(ON=C)C(C)N;HPBPEEAJGXCPGB-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62065;MM62065;C#CC(=CC)N(N)C=N;YXSAUUCTOFHUHV-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62066;MM62066;CCOC(CO)C(C)NC;BQEYJYGMYFBEIG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62067;MM62067;C#CC(C#C)C(C)(N)CO;XXSGFMZWTKWOKR-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62068;MM62068;C#CC(CN)OCC=C;MFLBYGRCVCBEGK-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62069;MM62069;CON=C(C=CN)NO;JLZFPWMWYSWPRE-UHFFFAOYSA-N;131.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62070;MM62070;C#CCOC(C#C)CN;GORYPKPLLRHUOB-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62071;MM62071;C#CCNC(CN)=NC;NMVLVJYMVXHDMH-UHFFFAOYSA-N;125.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62072;MM62072;CNN=CC(CN)OC;PBCNZWNYZFKZBS-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62073;MM62073;C=NN=CC(CN)OC;FOLALPUUJONUEI-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62074;MM62074;CC(C)(C)C(=N)N(N)C=N;YNUCZAOALUGHIQ-UHFFFAOYSA-N;142.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62075;MM62075;CCNCC(C)(F)CNC;LAWDDBHMKAFXFI-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62076;MM62076;CC(C)OCC(=N)NC=N;PHKQCHMWHFREPI-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62077;MM62077;CNCC=C(C)C(C)(C)O;MFJRIJRAPJUUMM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62078;MM62078;CCNC(COC)C(C)O;UECMDVWUYWWYLG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62079;MM62079;C=C(C(C)O)C(C)NC;VDRVPILOFCIROZ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62080;MM62080;C=CC(N)CNCC(=C)F;BOKPTDHLNDMZFJ-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62081;MM62081;C=CC(=NCC(C)O)NN;GHAGXPUZKURWEM-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62082;MM62082;C=C(C)CC#CC(N)CN;WCTVUDXBHSVAIO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62083;MM62083;CC(C#N)=NOCC(=N)N;UXHCQTMZQGQGNT-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62084;MM62084;COC(=O)OC(C)C(C)O;WLWPPMUYZUCZAK-UHFFFAOYSA-N;148.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62085;MM62085;C=CCC=NOCC(=N)N;CCECANUAEMLKEZ-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62086;MM62086;CC#CC=NOCC(=N)N;YDRKHGQMFSHMJT-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62087;MM62087;CC(C)NCC#CC=NN;QIIRJVZHIQKVFT-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62088;MM62088;CCCNC(CO)COC;KQQPCVNCAHVZSC-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62089;MM62089;C=C(C)C(CO)NCC;GORVMSRRNVGROM-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62090;MM62090;CCNCC(CO)=C(C)C;CUEZBECYGVNWPK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62091;MM62091;C=COCOC(=N)NCC;VDHDZUWJMASTRU-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62092;MM62092;CCC(CO)NCCOC;LJANVEXCPWBKPC-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62093;MM62093;CCCOCC(=N)NC=N;WDHVLBZZOLKCBD-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62094;MM62094;C#CC(N)(C#C)CNCC;VAXFVXYXIUBRAJ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62095;MM62095;CCNN=CCO;QLAKSUGOXDKPMZ-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62096;MM62096;CC(C)C(O)CC(=O)C=O;JPWDKFFPOWTYTF-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62097;MM62097;CC(O)C(O)CC(=O)C#N;UVOKAVVYWGHRLC-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62098;MM62098;C=C(C=O)OC(C)C(C)O;ISNUAQGYVUTFLD-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62099;MM62099;CC(O)C(C)OC(=O)C=O;NZUQDEDFGVVADP-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62100;MM62100;C#CC(C)OC(C#C)CN;GBNHGVSRNPVPLC-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62101;MM62101;C#CC(CC(=C)OC)NC;NECLLLRMEUVLOM-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62102;MM62102;C#CCC(=CCNC)CO;RYKZVHWNKXRACM-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62103;MM62103;CN=C(NC)ONC(C)=N;FZDPTJYLWPPYTI-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62104;MM62104;C=CC#CC(=C)N(N)C=N;MHXNFMLRKJNFII-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62105;MM62105;C#CC(=O)OC(C)C(C)O;FYERRODCOVRZFW-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62106;MM62106;C=CC(C)NCC(C)O;ZFNUMBQBIKAZOI-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62107;MM62107;CCC(CO)CN=CNN;ZLHYNDMQEIKWIS-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62108;MM62108;CCOCC(COC)NC;QUHXIHPJAQQMMS-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62109;MM62109;CCOC(C=NNC)CN;HLHQSVWQXPJESV-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62110;MM62110;C=C(C)C(C)NCCO;XTVSMDCNKVKYAD-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62111;MM62111;COCC=C(OC)C(C)N;FMOYKSKLMLTICX-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62112;MM62112;C#CC(NC)C(C=C)CF;BLZXIMSFNAAGLR-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62113;MM62113;C=CC(COCC#N)NC;PSDIMANXALOHRF-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62114;MM62114;C#CCOCC(C=C)NC;JHRIBNYXFFYUAG-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62115;MM62115;C#CCCOC(C#C)CN;OKTGFCJQMQEJBJ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62116;MM62116;C#CC(CN)OCC=CF;NAHQPYCHUGYEMN-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62117;MM62117;CCNN=CC(CN)OC;CGXIHZWHICHCMN-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62118;MM62118;CCON=CC(CN)OC;NJIKJRZYJMEFNR-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62119;MM62119;C#CC(NC)C(N)C=CC;SPJNFYKJMOCFEK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62120;MM62120;CNCC(C)(C)F;PGSSCKBWEIHNSR-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62121;MM62121;CCC(O)CN(C)C(C)=O;DORBBCIKMYQCSF-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62122;MM62122;C=NOCC(C)N;ZHEGTLYIGUCOOR-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62123;MM62123;CCC(F)CN(O)C(C)=O;AEFCYMGKQSZIDP-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62124;MM62124;C=C(C=O)CNC;IFMJCBCILMYYDY-UHFFFAOYSA-N;99.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62125;MM62125;CC#CC(N)CN;LWGKMNZIXCUTDV-UHFFFAOYSA-N;98.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62126;MM62126;C=CC(CC)NCCO;FECOBXVHUBJEIS-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62127;MM62127;C=CC(F)C(C)N;OMLXRENVSWNRSW-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62128;MM62128;C=C(OC)C(C)N;TUILMIFNHSRHBI-UHFFFAOYSA-N;101.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62129;MM62129;C#CC(=N)N=C(NN)NN;RKQICNGCKSBTIV-UHFFFAOYSA-N;140.15;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62130;MM62130;CCC(C)ON(C)C(N)=O;LYGBIDAMAOUQBO-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62131;MM62131;C=C(C)C(C)CC(O)C=O;VOWUBOHTOZRYCZ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62132;MM62132;C=CC(O)CC(C)C(C)=O;NFSDSJHSCYGQOJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62133;MM62133;CC(=O)C(C)CC(O)C#N;FBLQRVRFAGCGQN-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62134;MM62134;C#CC(=N)N(C)N;XXCJRCAZORXVQO-UHFFFAOYSA-N;97.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62135;MM62135;COC(C)C(C)NCCO;KIWQTSNJZUSVGY-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62136;MM62136;C=CC(O)CC(C)C(=O)O;SYWQMDIHADLOKF-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62137;MM62137;C=NNC(C)(C)CN;YLFKOSCNRLWCKP-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62138;MM62138;CCC(COC)NCCO;BMBAAFWTMKOPRQ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62139;MM62139;COC(C)CN(C)C;ZIRGTVGIHYFMDZ-UHFFFAOYSA-N;117.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62140;MM62140;CC(=O)C(O)CC(C)C#N;CRQNRQJKRRGYHU-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16551;MM16551;C=CC(C)CC(O)C(=O)O;RARICQQOADHDRB-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62141;MM62141;C=CC(C)CC(F)C(C)=O;PSBYWMVVHOQZAS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62142;MM62142;CC=NOCC(C)N;RLMLIQZRBPQJEL-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62143;MM62143;CC(=O)C(C#N)NC(C)C;FJWPPCLOEOTDMI-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62144;MM62144;C#CCC#CC(C)N;MINGJRCNGAGNLA-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62145;MM62145;COCC(=N)NC=N;KWADFAHNYIBOGC-UHFFFAOYSA-N;115.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62146;MM62146;CC(C#N)OC(C)C(N)=O;YCGDPMAAIMCODK-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(1-cyanoethoxy)propanoic Acid";MM03188;CC(C#N)OC(C)C(=O)O;UZKQEISIRRHVES-UHFFFAOYSA-N;143.14;0.39;116413008;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62147;MM62147;C=NN(C)CC(C)C(=O)O;AJOCEPTVNQQQTA-UHFFFAOYSA-N;144.17;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62148;MM62148;CC#CC(N)CCF;YAPLLLHDQSTEBI-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62149;MM62149;C=CC(CCO)NC;NUOUVRNIJJRZAU-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62150;MM62150;CCOCC(CCO)NC;RKUORRJBWCOFQB-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62151;MM62151;C=NOC(C)C(=N)N;BNXOISFTWBGGEA-UHFFFAOYSA-N;115.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62152;MM62152;C=CC(O)CN(C)C(C)=O;YWTDKRNBCFHIRS-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62153;MM62153;CC#CCONC=N;QJHPEOOBKMWVAC-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62154;MM62154;C#CCC#CCNC;MRFQYSOHPBNNDE-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62155;MM62155;COCC(N)CN(C)C;LSLUBSKMGOXBCX-UHFFFAOYSA-N;132.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62156;MM62156;C=CC(C)(F)C(C)NC;GNPLERLSHMZMTL-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62157;MM62157;CC(CC=O)NCCC=O;WEZKOOICFBRCTB-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62158;MM62158;CCC(N)C(CC)C(N)=O;YAYAFXUTGHXDCZ-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62159;MM62159;C=CC=NOCC(C)N;MUSMZDPCEQZHEW-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62160;MM62160;C=CCC=NNC(=N)NN;XKUFGQZFAPKFCO-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62161;MM62161;CC(C#N)NN=CC(=N)N;ZFTWSKLLFDBZNH-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62162;MM62162;CC(C#N)ON(C)C(N)=O;NQCQKCSSLDUFMV-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62163;MM62163;C#CC(O)CC(C)C(C)=O;NWQWCAZHHFRMHZ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62164;MM62164;C#CC=NOCC(C)N;SDFOOOGGQJBJFL-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62165;MM62165;C#CCCN=CN(C)N;PVCXFHSKOTVVCO-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62166;MM62166;C#CC(C)OC(C)C(N)=O;SYFIDIYTYOFVRX-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62167;MM62167;C=CCC(N)CON=C;HFONVOQYQZDUKM-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62168;MM62168;C=C(C#CCF)CNC;OZCMEOQAJKSHHF-UHFFFAOYSA-N;127.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62169;MM62169;C=C(C(=N)N)C(=O)OC;QJSSKHPOVYYGJP-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62170;MM62170;C#CC(C)CN(O)C(C)=O;PRMTWCKVPGZDIY-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62171;MM62171;C#CC(F)CN(O)C(C)=O;LOEJVMSLYATNLY-UHFFFAOYSA-N;145.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62172;MM62172;C#CCCNN=CCCO;QZSOJHDNDHHHKX-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62173;MM62173;C#CC(C)ON(C)C(N)=O;JBXZQXRJWDXPNX-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62174;MM62174;C=C(C)C(C)CC(=O)CO;QCWOCCRQAYRTHO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62175;MM62175;C=C(OCCF)C(C)N;UPAPYHZEHHJUAD-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62176;MM62176;CC=NOC(C)C(=N)N;QDQIEPSBHGBWTL-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62177;MM62177;CCCC#CC(N)CN;HTMJKRSZFBAGRB-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62178;MM62178;C=NOCC(C)C(N)=O;UTQUTRXUVCSITB-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62179;MM62179;C=C(F)C(O)CC(=O)CC;VXRYURVEYHAOMY-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62180;MM62180;CC(=NNCC#N)C(=N)N;VLMYOPABZRWJKK-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62181;MM62181;C=C(C)C(F)CC(=O)NC;ZHYHJGXQJSEQNO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62182;MM62182;C=C(CC(O)C(C)=O)OC;GCGUPDTXEHIZQC-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62183;MM62183;C=CCC(=N)N(C)OC;SHDIBOPCSXWGRW-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62184;MM62184;CC(C)(C#N)ONC(=N)N;UBLARUCZIVGZIS-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62185;MM62185;C=C(CNC)C(=O)CC;YPSFGRYGRPRCPC-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62186;MM62186;CNCC(C=O)=CCF;WAXKLABETKGBDK-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62187;MM62187;CC#CC=NNC(=N)N;APWVWMDKVHFKGC-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62188;MM62188;C=C(CC)CN(O)C(C)=O;NDOOBPGFMUYLRU-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62189;MM62189;CCNC(=O)NC(=N)NN;SLDGBDLJYSXXLJ-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62190;MM62190;C=C(CC)CN(O)C(N)=O;HANPIUJIGQPHQY-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62191;MM62191;CON(C(C)=N)C(C)C;MLVURZHJPXTJFE-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62192;MM62192;C=CC(CF)C(N)CF;IXCYCPWRDSODBN-UHFFFAOYSA-N;135.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62193;MM62193;CNC(=O)ON(C)C(C)=O;WOSGUTOBHYRRTH-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62194;MM62194;C=C(C)C(C)CC(=O)C=O;JMECXQASGBKWQK-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62195;MM62195;C=CN(C=N)N(C)C=O;HFSSEYTWJZNULM-UHFFFAOYSA-N;127.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62196;MM62196;CCC=CN(C=N)C=N;OFBWXVDRZRLKJM-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62197;MM62197;CC(C)NCC(C)(F)CN;AHXGVWNUVPTHJU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62198;MM62198;C=C(C#N)CC(O)C(=O)O;CZUHSKNMGMAIIO-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62199;MM62199;C=CC(=O)CC(F)C(=C)C;HITSWEHCLODWNF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62200;MM62200;C=C(C)C(F)CC(=O)C#N;PPPBXEAFJNUAQE-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62201;MM62201;C=CC(N)CC(F)(F)CO;MKPWDADJLMQXIY-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62202;MM62202;CC(N)(C=CF)COC=O;MDPCEBKCHXWLOU-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62203;MM62203;C=C(C#N)OC(C)C(N)=O;YLMYCGUUIIWNRR-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62204;MM62204;C#CC=NNC(C)(C)CN;DSXHKNPKZFRDRH-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62205;MM62205;C=CCC#CC(O)C(C)N;LEBYMILOXBQUAC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62206;MM62206;C=C(OC(C)OC)C(C)N;JBTKEMXTTCMDER-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62207;MM62207;CNN=CC(C)C=O;LOCWLTDTWJRNDU-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62208;MM62208;C#CC(C)=NOCC(C)N;KNMVTQKZEVXOLG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62209;MM62209;CC(C)C#CC(O)C(C)N;WZPJCAGLURNPMW-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62210;MM62210;C=C(C#N)CN(O)C(C)=O;GHDYBXZAKKTPRW-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62211;MM62211;CC=NNCC=O;VYSVMGQCOSASND-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62212;MM62212;CC(=O)N(C)OC(=O)C#N;LDFUGOMYZPSVKQ-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62213;MM62213;C=CC(=O)ON(C)C(N)=O;ZDHLXLWVWSIFET-UHFFFAOYSA-N;144.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62214;MM62214;C=NNCC=O;KBIGYAWGOLZNRG-UHFFFAOYSA-N;86.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62215;MM62215;C#CC(=C)CC(O)C(=O)O;JWACFWDYXDXING-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62216;MM62216;C#CC=C(C=O)NC(C)=N;NTXCVPVWQXNSPA-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62217;MM62217;CNCC(C=O)=CC(C)F;LYSDBVUIOQDACC-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62218;MM62218;CC(N)C(O)C#CCCF;BXAUGVSNRWBZDE-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62219;MM62219;CNCC#CC#CC(C)N;RBULVSJMQLXHSC-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62220;MM62220;CC=NN=CC(N)CNC;SHZALBYUORCQAP-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62221;MM62221;CCNC(C)C#CC=NN;NVCWXULRYJXROW-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62222;MM62222;C=C(OCOCC)C(C)N;AOZUPCJTQZRAKF-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62223;MM62223;C#CC(=O)ON(C)C(C)=O;HOETUNRJUYACJV-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62224;MM62224;CC(CF)CC(=O)C(C)O;ICBKMMVEUUHUDA-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62225;MM62225;C=COCOC(=C)C(C)N;UEQDBCKTZJGVSC-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62226;MM62226;CC#CC(O)C(C)N;FFLDCWAGYSFYJT-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62227;MM62227;CN(N)C(=N)CC#CCO;HUTXAEMBQAOQIY-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62228;MM62228;CC(CO)NC(=O)C(C)C;ZNQMHXVVPWSVEM-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62229;MM62229;C#CC=NOC(C)C(=N)N;GZLUUGSMOSPAGK-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62230;MM62230;C=CC(O)CN(C)CC;NVYOUPGUXIURHH-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62231;MM62231;C#CC#CC(C)(CN)NC;YEAXZJGYDCRQNX-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62232;MM62232;C#CC(C#C)(CN)C(=N)N;HWHLLZNFMLWJOP-UHFFFAOYSA-N;135.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62233;MM62233;C#CC(N)C#CC(N)CC;GKSCUUIEVUEZLU-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62234;MM62234;CC(C#N)CN(C=N)C=N;QYWUKBXMBTYBQA-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62235;MM62235;C=COCC(C)(N)C(C)O;HYXNAZUMJJMQQZ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62236;MM62236;COC(CNC(C)C)OC;FUJWQGZPBSWGPX-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62237;MM62237;C#CC(CNC)C(=O)CC;LQQRNXCKRVMOHL-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62238;MM62238;CCNC(=O)C#CCCN;UWLJVBMQABKGET-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62239;MM62239;CCC(C)C(N)C(F)CN;QBNPYKJOJLIOEG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62240;MM62240;CC(CO)OC(=O)N(C)C;YVSPWNAJMXRJEO-UHFFFAOYSA-N;147.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62241;MM62241;COC(C)OC(=O)N(C)C;ZHPHQIJBRGMADJ-UHFFFAOYSA-N;147.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62242;MM62242;C=COCC(N)(CC)CO;IEMKLEDHIVAGDN-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62243;MM62243;C=C(CC(O)C=O)C(C)C;XDAAOURHUAHBCV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62244;MM62244;CCC(=N)N(N)C(=N)CC;VRDUKBRDZYAPMO-UHFFFAOYSA-N;142.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62245;MM62245;CC(C)C(=O)CC(O)C#N;HJHVKDRKHPRBGD-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62246;MM62246;C=CC(O)CC(=O)C(C)F;UHNFTHNZOLKDKA-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62247;MM62247;CC(F)C(=O)CC(O)C#N;HWFSGTLMCAKGFS-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62248;MM62248;CCC(CO)(COC)NC;WDCLIDDOLYZXKX-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62249;MM62249;C=C(C)C(C)(CO)NC;WMONOPAHQMBFAA-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62250;MM62250;CC(C=O)NC(=O)C(C)C;SJIZOBMKZMQNKU-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62251;MM62251;CC(C#N)NC(=O)C(C)C;UPZZZLLGCFAGGX-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62252;MM62252;C=CC(C)NC(=O)C(C)F;BVAMELIBEWZDEC-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62253;MM62253;CC(C#N)NC(=O)C(C)F;WLCDCBZYNKADMK-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62254;MM62254;C=CC(C)C(=N)N(C)OC;OTIXMXUAVUEDIA-UHFFFAOYSA-N;142.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62255;MM62255;CC(F)=CC(C)(N)CO;RTSMRQCCNYBMJM-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62256;MM62256;CCC(F)=CC(C)(N)CO;NDJMEQFPSBDSSI-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62257;MM62257;C=NOCC(C)C=O;HSRKUZXSGIEFRS-UHFFFAOYSA-N;115.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62258;MM62258;CCCN=C(NO)NC=N;OHFWDZNNDGIUFU-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62259;MM62259;N=CNC=C(F)C#CC=O;MHTFABTXKBQWRQ-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62260;MM62260;C=C(C#CCF)N(N)C=N;XAZXBOJKFQKNKZ-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62261;MM62261;CCC(CO)N=C(C)NN;BDFYOKZJJSXIGU-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62262;MM62262;CC(C)C(=O)NN(C)C=O;OQQAHSDMUCXTDC-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62263;MM62263;C#CCCC#CC(N)CN;YJXGMPAAWXLFLC-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62264;MM62264;CC=CC(CN)(CO)CF;GNKWCUYNDTYBEJ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62265;MM62265;CC(=CN=CNC=N)CF;RWGATYLHQVNXFN-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62266;MM62266;CNC(C)C(C#N)NC=N;CCSNRMSXDOIJBA-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62267;MM62267;CN(O)C(=O)CC(O)C#N;UJPAUDVESTYWRS-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62268;MM62268;CNCC(C=O)=CCC#N;ZFOINFSFZYZGHF-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62269;MM62269;CC(N)CF;IRQOJWDMOUIHNR-UHFFFAOYSA-N;77.1;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62270;MM62270;C#CCNC=CC(=N)NO;PEZKTJPMRBHEPP-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62271;MM62271;CC(C=O)NC(=O)N(C)C;ISAGCZVDAVWCMX-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62272;MM62272;CNC(C)C(CO)=C(C)C;ZQBCNXYUHYVQSU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62273;MM62273;C=CC(C)NC(=O)N(C)O;LDAJPRVJIZZKMB-UHFFFAOYSA-N;144.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62274;MM62274;CC(C#N)NC(=O)N(C)O;JJKRQYVKMUCEMI-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62275;MM62275;CN(C)C=NN(C)C;ZMYFTZKYEGWYHI-UHFFFAOYSA-N;115.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62276;MM62276;NC(CF)CC=CF;CRHOPUWVJMVRFU-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62277;MM62277;CC(C#N)OC(=O)N(C)C;IEEXCMUWCOEXPW-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62278;MM62278;CC(C#N)OC(=O)N(C)O;HWIVOIDUJKBVAO-UHFFFAOYSA-N;144.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62279;MM62279;C#CC(CO)CCN(C)C;MUMCGQPLPIZYJP-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62280;MM62280;CC=C(C=O)CNC;NCMWYUZJULTZQM-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62281;MM62281;N=C(N)C#CC(F)(F)F;QASLHNNQOJHWRX-UHFFFAOYSA-N;136.08;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62282;MM62282;CNCC(C)(F)CCF;MDCXTXNMNQZEBG-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62283;MM62283;CC(=N)N(N)C=C(C)F;UETWHCFCWHEXTO-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62284;MM62284;CNCC(C)C(C#N)C=O;JDYHIZPKXIVSJM-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62285;MM62285;C#CC(O)CC(=C)C(C)O;MDUFCESJPSPZEB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62286;MM62286;C#CC(O)CC(=O)C(C)C;OQJYNDVZUMSFKN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62287;MM62287;C#CC(O)CC(=O)C(C)F;KWUPEAWEOUHXMH-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62288;MM62288;C=C(C)CCN(C)CCO;ITEKQWKHYHCWQT-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62289;MM62289;C=CC(C)(N)C#CCN;VLWMORLYHICAAN-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62290;MM62290;C#CC(C)OC(=O)C(C)O;AXGQBRIJKZUZQW-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62291;MM62291;C#CC(N)CC(=C)OC;LENNZQHWKQGGBZ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62292;MM62292;C#CC(C)CC(=O)N(C)O;WIQPFPYLHAGHGX-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62293;MM62293;C#CC(F)CC(=O)N(C)O;GENTYRAGDNTWPO-UHFFFAOYSA-N;145.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62294;MM62294;CC(=CF)CC(N)CF;LUNOOAHXYPJYEV-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62295;MM62295;C=NNCC(=O)N(C)C=N;AJLIAQPPLYSUBM-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62296;MM62296;C#CC(F)=CN(C)C=N;IPOSVBALYVTIKE-UHFFFAOYSA-N;126.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62297;MM62297;C=CC(C=C(C)C)NC;HRZXPFPSTCFYQK-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62298;MM62298;C=CC(CC(C)O)NC;PPMUTZRTAUQDOX-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62299;MM62299;C=C(CC(=O)CO)C(C)C;HSHYSJQSYMQNIS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62300;MM62300;C=C(CC)N=CNC=N;LJQQKNHTZRPABA-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62301;MM62301;CCOC(CCO)C(C)N;NFHRQPFPCYELTI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62302;MM62302;C=C(CO)CC(=O)C(C)C;VGRTZIMWLFFUKU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62303;MM62303;CC(C)C(=O)CC(=O)CO;NDTUCJWEBHBADA-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62304;MM62304;C=C(CC)CC(=O)C(C)O;OTDLPWNWEODTQK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62305;MM62305;C=C(CC(=O)NO)C(C)C;PQYDGMKBLPWUSE-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62306;MM62306;CCC=CC(CCO)NC;QPQNOXAPYJNRTI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62307;MM62307;C=C(CC(=O)NC)C(C)O;UYKGVYKMTUQSMS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62308;MM62308;CN=CN(NC)C(C)C;MAUBJYRQFYBITJ-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62309;MM62309;C=C(C#CCCO)C(C)N;CFBJCTJYHJNKBH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62310;MM62310;C#CC(=N)NNC(C)(C)C;PIEGYFPVRAFTMB-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62311;MM62311;CN(C=N)C=NNC(=N)N;GASQEGHZWNTETD-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62312;MM62312;CCCC(N)CNC(C)=O;UENXUAMEJZHMMK-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62313;MM62313;C#CC(=CCCO)C(C)N;SDDOZMSFGGALKY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62314;MM62314;CC=CC(=CCN)C(N)=O;DFQULDCEHMMCCV-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62315;MM62315;C=C(NC(=O)NC)C(C)O;YJAXTWGIBXAMLN-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62316;MM62316;CCN(C)CC(C)(N)CF;JLBSQXADHKTFAD-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62317;MM62317;CCOC(=NNC)NOC;VVDMXLJJVKONBX-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62318;MM62318;CCNN=C(NOC)OC;NDJLSJNLGVPRQH-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62319;MM62319;C=NNC=NNC;BJDKDVLTILQZMT-UHFFFAOYSA-N;100.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62320;MM62320;CC(C)C(=O)NC(=O)NN;MYUMQRKUVQKPLQ-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62321;MM62321;CNC(=O)NC(=O)C(C)O;GIQRCYIGOBOJMI-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62322;MM62322;CNCC(C)(F)C(C)NC;WJOQBDNEFJELPV-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62323;MM62323;CNCC#CC(C)(N)CF;LRDMRIHTAFWHLI-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62324;MM62324;C=C(OC(=O)OC)C(C)O;LCVNDONMQBRJCK-UHFFFAOYSA-N;146.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62325;MM62325;CCCCC(N)CNC=O;YGBCLDHBABDSSM-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62326;MM62326;C=C(CC)CC(=O)N(C)O;ZQNXEJITCFYGMZ-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62327;MM62327;CC(N)(C#CC=CF)CN;MVEAYXRVMVVHRE-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62328;MM62328;C#CCONC(=NN)OC;VEOQWAIQJZFDET-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62329;MM62329;CNC(C)(CC=O)CC=O;NTSLIVOKGNUSJH-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62330;MM62330;C=NOC(C)(CC)CNC;GHJHCUACPUFNGJ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62331;MM62331;CC(N)C(C)(C)C(N)=O;XXBLURVLQMBSCW-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62332;MM62332;C=COC(C)(CNC)OC;NFMSXRXFVZUEAK-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62333;MM62333;CCC(N)C(C)C(N)=O;IPELFYSWLKYTGA-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62334;MM62334;CCC(=O)NC(=O)N(C)C;YGEFLWBPFQCNJB-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62335;MM62335;C=C(CC)NC(=O)N(C)O;DVOLJJWAXCDBRQ-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62336;MM62336;C#CC(CF)OC(=N)NC;FUDVHOKELDUQLI-UHFFFAOYSA-N;144.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62337;MM62337;C=NNC(C=CN)=NN;RNWRQDYDPGRFOW-UHFFFAOYSA-N;127.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62338;MM62338;N#CCNN=CC(=N)N;UUQVNQQRHGHEKW-UHFFFAOYSA-N;125.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62339;MM62339;CC#CCNN=CC(=N)N;GDEMFZXOKVDSDN-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62340;MM62340;CNC(=O)NC(=O)N(C)C;UNSXEJDRNYZPJI-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62341;MM62341;COC(=O)CC#CC(C)N;HHYSZHLVRIMQGP-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62342;MM62342;CC#CC(N)CC(N)CF;XODHHUPVHAXBGL-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62343;MM62343;CCNN=C(C)NC(C)=N;UTAFHQUCEAPAFQ-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62344;MM62344;C=CCC(=NNCC)NC;UJISBEWVWNKGBE-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62345;MM62345;CC(C)=CC(N)C(N)CF;PKOPPNJJDAPPDK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62346;MM62346;CC(CF)=C(C)CN(C)C;CEYYGLWNWVZGSL-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15596;MM15596;C=C(CC(=O)C=O)C(C)C;PBVVZMPPQPCSOQ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62347;MM62347;C=C(CC(=O)C=O)C(C)O;MCTRLFAZKDUZNH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02050;MM02050;CC(C)C(=O)CC(=O)C#N;POKFQNSTGOUHID-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62348;MM62348;C#CC(OC(C)=O)C(C)N;DITADVAIARPDCD-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62349;MM62349;C=C(NC(=O)C#N)C(C)O;TUNGXHIEVKJMRE-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62350;MM62350;CC(C)C(=N)NC(=O)C#N;LMWLAJIKWSKXQV-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62351;MM62351;CC(O)C(=N)NC(=O)C#N;RLVVIHTUSHUKBE-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62352;MM62352;CC(C)C(=O)NC(=N)C#N;SVVFCQRJWVTIEH-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62353;MM62353;C=CC(=O)NC(=O)C(C)C;UCEVAFWKBZDTKU-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62354;MM62354;CC(C)C(=O)NC(=O)C=O;PRICPVCNCQDVPO-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62355;MM62355;C=C(C#N)NC(=O)C(C)O;WMYVXRBOBLOMBW-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62356;MM62356;CC(O)C(=O)NC(=N)C#N;IQIBBRZCQPYDDV-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62357;MM62357;CC(O)C(=O)NC(=O)C#N;YTXRKLVCUBYHJY-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62358;MM62358;CC(F)C(=O)NC(=O)C#N;XYSXSWCERRDFEF-UHFFFAOYSA-N;144.11;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62359;MM62359;C=C(OC(=O)C=O)C(C)O;PSPVEFZAQOSPJB-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62360;MM62360;C=C(OC(=O)C#N)C(C)O;PKRDGACRFRMUAH-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62361;MM62361;C=C(C#N)OC(=O)C(C)O;YNNOPGCNIYRYRJ-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62362;MM62362;C=CC(C=C)=NNC(=N)N;XXTXCFFJOZTKNK-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62363;MM62363;C=CNC(C)=NN;XZYWHGBBBRRTRS-UHFFFAOYSA-N;99.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62364;MM62364;C=C(C=O)CC(=O)N(C)C;VWBKVPRNSPJTPR-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62365;MM62365;C=CC(=O)CC(=O)N(C)C;JHKATQLJJWEZAU-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62366;MM62366;C=C(C#N)CC(=O)N(C)O;ZHMVODWVHGYSOP-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62367;MM62367;CN(O)C(=O)CC(=O)C#N;QDVPHGDXIBCSDF-UHFFFAOYSA-N;142.11;-0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62368;MM62368;C=C(C#CCOC)CNC;PXWACQVYPYZAEW-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62369;MM62369;CC(=NNC(C)C)C(=N)N;WKDWMZBWBFEWSS-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62370;MM62370;CC#CCC(=N)N(C)C=N;GTDIPGVEBRPOCV-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62371;MM62371;CCC=CC(N)C(N)CF;XCWJXZNWEXRKAY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62372;MM62372;C=CNC(=O)NC(=N)N;ULVDOGMAFMBQAG-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62373;MM62373;CN(O)C(=N)NC(=O)C#N;CTIJVYXGJHJJHX-UHFFFAOYSA-N;142.12;-1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62374;MM62374;C=C(C#N)NC(=O)N(C)C;KNMUHYXUBYPPGP-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62375;MM62375;CN(C)C(=O)NC(=N)C#N;JQALPOQUHYQLTH-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62376;MM62376;CN(C)C(=O)NC(=O)C=O;RGZJHDVKQPGAHN-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62377;MM62377;CN(C)C(=O)NC(=O)C#N;DQEXSIJLOCWAOD-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62378;MM62378;C=C(C#N)NC(=O)N(C)O;HOXZSESWFXXYTN-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62379;MM62379;CN(O)C(=O)NC(=O)C#N;UFNVXNPCUJNFEN-UHFFFAOYSA-N;143.1;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62380;MM62380;C=CC(N)C(=C)C#CCN;UJMDIEVYWAOOPO-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62381;MM62381;CNCC#CCC(=O)OC;LTCJGORUDJMUBA-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62382;MM62382;C=CC(C)=CN=CNC=N;TYAYNWBAFOTDMM-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62383;MM62383;C#CC(O)C(=C)OCCN;INGHJXHKAGMVBB-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62384;MM62384;C#CC(C)C(C=CF)NC;OSDCOCFIYFMWFZ-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62385;MM62385;C#CC(=N)NC(=O)C(C)C;UIMQPZGCZOFKRP-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62386;MM62386;CON(C(C)=O)C(C)CN;WRPUGUIFRIIYDN-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62387;MM62387;C#CC(=O)OC(=C)C(C)O;XKIHPTXXLPFMRE-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62388;MM62388;C#CC(C(=C)C)C(=N)NN;PTMMQCNYEIVIKI-UHFFFAOYSA-N;137.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62389;MM62389;C#CC(=C)OC(=O)C(C)O;ZHEDRNUAMDJVJQ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62390;MM62390;CN=C(N)C(C=O)=C(C)C;FWEHMBQZDQODKM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62391;MM62391;C#CC(O)(C=C)CNCC;FOOMONDOJWXSKO-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62392;MM62392;CC#CC(C)(O)CNC;MUCCOIBEUCWEFJ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62393;MM62393;C#CC(N)CN;VDVGJILPNUHKTJ-UHFFFAOYSA-N;84.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62394;MM62394;C=CCC(N)CF;NGZIDEXIULRXCT-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62395;MM62395;C#CC(O)C=COCCN;OXHKIEGXOHBAMI-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62396;MM62396;CCC(C)(F)CNC;NGQJVFMFZLUEEN-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62397;MM62397;C=NN=CC(O)C(C)N;JUEWZTGXBNZNHZ-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62398;MM62398;CC(O)C(F)=COCCN;PKPJHJOIPJDTEN-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62399;MM62399;C#CC(=C)NC(=O)N(C)C;ZXBJITYNBUAMKX-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62400;MM62400;CC(OCCN)=C(F)CO;IWQVXRZWABAJQU-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62401;MM62401;C#CC(=O)NC(=O)N(C)C;DRBXOHXIEVBWHD-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62402;MM62402;CC(=O)NC(C)=CC(C)N;HFZCBKHQFFXEEX-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62403;MM62403;C#CC(=O)NC(=O)N(C)N;MFBNZGZZKOFLMZ-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62404;MM62404;C#CC(=C)NC(=O)N(C)O;RBIAWMSBQAIHAE-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62405;MM62405;C#CC(=O)NC(=O)N(C)O;FBPFTSUCJNCYRE-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62406;MM62406;C=CN(C=N)CC#N;SZGSZPDNWCNCKB-UHFFFAOYSA-N;109.13;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62407;MM62407;C=C(OCCN)C(C)(C)O;QJGVKVYREZNVPX-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62408;MM62408;C=CC(C=CC)NC;YXSXPADWJDDYHB-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62409;MM62409;CCC(N)C(C)(F)CN;LFQGZXQCSYUXID-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62410;MM62410;CC(=O)C(=O)CC(C)CO;MOFBVZBPYHIPTQ-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62411;MM62411;CCC(O)CC(=O)C(C)=O;NMBHRJMQOSCATD-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62412;MM62412;COC(=N)N(C)C(C)C;NRRKXWJNEYXZCE-UHFFFAOYSA-N;130.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62413;MM62413;CCC(=CC(C)N)NC=O;VJCLNHQMKKLUQJ-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62414;MM62414;C#CCC(=N)N(C)C=N;RJGJUCCWVZLRCW-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62415;MM62415;COCC(N)C(C)=CF;FNKNZUFFWPOOBT-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62416;MM62416;C=C(NC=O)C(C)(C)CN;QPUJXILEWWQPQH-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62417;MM62417;COC(C)CC(=O)C(C)=O;JCLOXPFTJCEDOL-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62418;MM62418;CNCC(C=O)=C(C)C;UDAFKEVYZROOFA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62419;MM62419;C=C(C)C(=O)NC(C)CO;ZZAOSLBVLOJDLM-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62420;MM62420;CC(=O)C(=O)NC(C)CO;QAUSNQSCCRQMKV-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62421;MM62421;C=CC(N)C(CF)OC;NPJWLBHDYNDECR-UHFFFAOYSA-N;133.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62422;MM62422;CC(C)CN(N)C(=N)CO;WOLJKCQCLPHZED-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62423;MM62423;C=CC(CF)ONC=N;QDPASLLUVYSOLH-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62424;MM62424;C=C(C)C#CC(C)(N)CN;KTPQWPTZOASLRO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62425;MM62425;C=C(CC(C)C=O)C(C)=O;QLIUFBXPPLTNAF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62426;MM62426;C=C(CC(F)C#N)C(C)=O;IBFFNQGLDGLIFM-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62427;MM62427;CCC(O)C(C)(N)COC;QBPLHBZUVNVWCG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62428;MM62428;C=CC(C)CC(=O)C(C)=O;UHTUUHNIEICHQN-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62429;MM62429;C=CC(C)(OC)OC(=N)N;GSYYKRQQXBNSNL-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62430;MM62430;C=CC(C)CC(=O)C(N)=O;XUPRQZNODOXWCQ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62431;MM62431;C#CC(CC)NC(=N)CO;OUBORETYYVJZPX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62432;MM62432;CC(C#N)N=C(N)C(=O)O;LYNBMSCBRFOZFT-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62433;MM62433;CC(=O)C(=O)NC(C)C#N;XKWHAYGPYVVYNL-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62434;MM62434;C=C(OC(C)C#N)C(N)=O;GINAQARPEZIAJF-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62435;MM62435;C=CC(C)OC(=O)C(C)=O;ZFUQHIBURURUNI-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62436;MM62436;CC(=O)C(=O)OC(C)C=O;KNKMVXKCHLTCEX-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62437;MM62437;CNCC(C)(F)CCCF;QBQIPHJZHBFAKO-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62438;MM62438;CC=NOC(C)(C)C(=N)N;CMOFIAWRQVVQKW-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62439;MM62439;CC(C#N)OC(=O)C(N)=O;JBBDTOWBWCYAOF-UHFFFAOYSA-N;142.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62440;MM62440;N=C(N)NN=C(C=O)CO;NVQHBQLSOFCEKC-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62441;MM62441;CN=C(C)NC(=N)C(C)N;OYSQVXAXDZKSHR-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62442;MM62442;C#CC(O)CC(=C)C(C)=O;SABWPZIWRPWFJQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62443;MM62443;C#CC(O)CC(=O)C(=C)C;FGNFURZUHSJVKM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62444;MM62444;C#CC(C)CC(=O)C(C)=O;NTDHTBIAWVUSIX-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62445;MM62445;C#CC(=N)NNCC(=C)C;VJSHSRXMMWSUEN-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62446;MM62446;C#CC(C)NC(=O)C(C)=O;YVMIBMJTOBDWFA-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62447;MM62447;C#CC(N)C=CCN(C)C;OCCGHPQWLWNDLX-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62448;MM62448;C#CC(C)OC(=O)C(N)=O;YSBKKDWJQTUUGJ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-but-3-yn-2-yloxy-2-oxoacetic Acid";MM03205;C#CC(C)OC(=O)C(=O)O;SCQQULUYQZVZAP-UHFFFAOYSA-N;142.11;-0.36;87457922;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62449;MM62449;C=C(CO)CC(=C)C(C)=O;OPWRBITUEYFBPU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62450;MM62450;C#CC=C(CO)OCCN;QTYUPZHDQZGKGP-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62451;MM62451;C=C(CO)CC(=O)C(=C)C;OTSWIDAYOZOLIA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15588;MM15588;C=C(CC)CC(=O)C(C)=O;DGARPQVLVCFQAM-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62452;MM62452;CCNCC(OC)C(C)O;SOPUJNPPKVALMK-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15814;MM15814;C=C(CC(=O)C(C)=O)OC;AGCNAKHOMKONRE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62453;MM62453;C=C(C)C(=C)NC(=O)CO;JGUWHCOINUPGNL-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62454;MM62454;C=C(C)C=CN=CNC=N;QCPAYSJQBGDFQL-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62455;MM62455;C=C(C)C(=N)NC(=O)CF;MZLBVILIYIGRIL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62456;MM62456;C=CC(C)(NC)C(C)O;DIMQTHJUDFASRC-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62457;MM62457;C=COC(CO)C(C)NC;PTFYGZDXVFZUGH-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62458;MM62458;C=C(C)C(=O)NC(=O)NC;FZRUZDCIVDEDJP-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62459;MM62459;C=C(NC(=O)C(C)=O)OC;RXRYFMPZPIUIRZ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62460;MM62460;CON=CCC#CC(C)N;CCOMTTCUHNMLFY-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62461;MM62461;CC=CN(C)C(=O)CCN;WUUIPEJJUSWIHW-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62462;MM62462;COC(CO)CN(N)C=N;LAVFTSJGEGIZGG-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62463;MM62463;CCCC(N)(CO)COC;AMHCRQVEHOVRSY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62464;MM62464;CC(=O)C(C)(C)NCC#N;VSIWLVLRIJIVIE-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62465;MM62465;C=C(OC(=O)OC)C(C)=O;XCORTAWLWXTRTG-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15782;MM15782;C=C(CC(=O)C=O)C(C)=O;KUBQJOHCBZQRJZ-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15781;MM15781;C=C(CC(=O)C#N)C(C)=O;UFONGPRRXSNCMC-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62466;MM62466;C=CC(CC)(CO)NC;WVHWCMPHASJINV-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62467;MM62467;C=CCC(N)(C=CF)CO;BQMGKQUTIGMJNY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62468;MM62468;COC(C)=CC(C)(N)CO;JTICFWDYVZIBPS-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62469;MM62469;C=C(CC(=O)C#N)C(N)=O;RLSQXBZBGLLDQJ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15537;MM15537;C=C(C)C(=O)CC(=O)C=O;RNPKQNAYQFCMBN-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15587;MM15587;C=CC(=C)CC(=O)C(C)=O;QZQATXUFSJROGT-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62470;MM62470;CN=C(NO)NC=N;XUGZZBYCSCFDJC-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62471;MM62471;C=CC(=C)CC(=O)C(N)=O;QYSOWAVEDYUOMW-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62472;MM62472;CCC(O)C=COCCN;NIOYAQPTEQQAHI-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62473;MM62473;C=C(NC(=O)C#N)C(N)=O;UJYZNMDECJAVNB-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62474;MM62474;C#CC(NC)C(N)C(=C)C;JFRBNSHPAFYXOS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62475;MM62475;C=C(OCC)C(=N)NO;PBEKTZXLQNPVEB-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62476;MM62476;CN(N)C(=N)NN=CCO;KZLGIGSKSYEEOX-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62477;MM62477;CC(=O)C(C)NC(C)C#N;RFILXNVGKRHYHZ-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62478;MM62478;C=C(C)C(=O)NC(=O)C=O;KOSQUIDDONYKKE-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62479;MM62479;C=C(C#N)NC(=O)C(C)=O;CHPRWJNZCPKTFL-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62480;MM62480;CNCC#CC(C)C(C)F;RDKCSIIWPBZWMT-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62481;MM62481;C=CNC(=N)N(N)C(C)=O;UKNBGBUIHPSVLX-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62482;MM62482;CC(=CCC(N)CF)CF;VVSXUEAFZKVSEI-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62483;MM62483;C#CC(N)CC(C#C)OC;IWVHGACSMYCBAQ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62484;MM62484;C#CC(=CN(N)C=N)CF;OXVOOSBMEKZUKE-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62485;MM62485;CCNCC(=N)NCC#N;NZQJSPIERWGOBL-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62486;MM62486;C=C(C#N)OC(=O)C(N)=O;SISQSGAUJIZTMR-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16571;MM16571;C#CC(=O)CC(=O)C(C)=O;KERGTTADQAMKSU-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62487;MM62487;CC(C)(O)C=COCCN;ARSRPCZAEDUUIB-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62488;MM62488;C#CC(=O)NC(=C)C(C)=O;GHQGQWDBHZXXQY-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62489;MM62489;CNC(=CC#N)C(=N)NO;KRWNWQVPTGHZLP-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16345;MM16345;C#CC(=O)NC(=C)C(=O)O;XDJNRPRTYUSKQY-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62490;MM62490;C#CC(=N)NNCC=CC;WBQDCANMMQMKMH-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62491;MM62491;CC(F)=C(CO)C(C)N;PKYIFQPEDLTJLL-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62492;MM62492;C=NNC(=N)C=NNC;CPHRGNIZAXDHQA-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62493;MM62493;C#CC#CC(CO)CNC;QMUOOOOVMDOTMK-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62494;MM62494;C=NOCCC(C)=O;GSKOZEDZEHDYMT-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62495;MM62495;CN(C)CC=CC(N)CO;BGQMDWBYXZMWID-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62496;MM62496;C#CC(=N)NC(=O)C(=C)C;MMBMAOOTBKXXPJ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62497;MM62497;C#CC(=O)NC(=O)C(=C)C;QTLWSUIJHHDISV-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62498;MM62498;C=CCCN(C)CCO;KGFUYBSSMKTDRQ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16250;MM16250;C#CC(=C)NC(=O)C(=O)O;MCYMJWMCSLZZKQ-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62499;MM62499;C=C(C#N)CC#CCNC;UHROPWSUFVHWMM-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62500;MM62500;C#CC(=O)OC(=C)C(N)=O;UZNNOHNZWXEPRD-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62501;MM62501;C=C(C#CC=NNC)CN;NQGUMIJCBSSIMZ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62502;MM62502;C#CC(=C)OC(=O)C(N)=O;UNDFTJKSXNGFCG-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16173;MM16173;C#CC(=C)OC(=O)C(=O)O;VBYFFUIQNCSERX-UHFFFAOYSA-N;140.09;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62503;MM62503;C=C(C#CC=NOC)CN;HOUOKHRVLPXYLX-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62504;MM62504;CC(O)CC(N)C=CF;OBSFXELETBQDHG-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62505;MM62505;CC(=CF)CC(O)C(C)O;YZGXWWRYKLRAAA-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62506;MM62506;CC(O)CC=COCCN;HEIKESVKLVVJPT-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62507;MM62507;C#CC=C(OC)N(C)C=N;NJBXHOCYFZEKHC-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62508;MM62508;CNCC(C=O)=C(C)CF;AQKFIQIZHBGOTE-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62509;MM62509;C#CCN=C(CN)N(C)C;CNCVNALZJHJTKH-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62510;MM62510;C#CCOCC(=NC)NN;OENVCAHTGNFFSF-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62511;MM62511;CNCCC(=O)C(=O)C=O;SUNIUAINGKVWJQ-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62512;MM62512;CC=C(C)CC(O)C(N)=O;RYYFPACPIBSLLB-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62513;MM62513;C#CC(CN)N(C)CCC;XNCKOOWFBLYLOU-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62514;MM62514;CC(CC(C)C(=O)O)=NN;BBHDBYRBCJBDHY-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62515;MM62515;C=NNC(=N)OCOCC;KVAUSYLSXNUQGQ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62516;MM62516;CCN(CC)C(=O)CCN;PWFPMYPZAVNQQK-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62517;MM62517;C=NNC(=N)CON=C;SBAROJZVTNUBFR-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62518;MM62518;C=CN(C=N)C(=N)CCF;CMBUUUUFZZEJJQ-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62519;MM62519;C#CCN(C)C(CN)=NC;VWBNMTGHVWIODT-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62520;MM62520;CNCC#CCC=NOC;PBFQNHLOQFBQPQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62521;MM62521;CC=C(CCO)OCCN;NNHPMHHJMFSFEE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62522;MM62522;CNC(C=C(C)C)CCO;YPKAXGGSWPAOAS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62523;MM62523;CC=C(C)CN(O)C(N)=O;NPWLYVGQRCHCBF-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62524;MM62524;COC=NNC(=N)N(C)C;KVJZHVUYTLITNJ-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62525;MM62525;C=COCC(CCO)NC;GUZYOMJEVVGJHA-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62526;MM62526;CC(=N)N(N)C=N;GKLJAZGYBFGUQR-UHFFFAOYSA-N;100.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62527;MM62527;CNCCC(F)C#N;APMDGDUZNHUDCD-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62528;MM62528;CCN(C)CCCO;TZVYDYIDLQCRHV-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62529;MM62529;C#CC(C)(N)CC=CCO;BWLFOFCMRPDLRN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62530;MM62530;CCC(N)CNC(C)=O;IYQXOYIJVUICCW-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62531;MM62531;C#CC(F)=CNC=N;QGOJYRXVOIAUMP-UHFFFAOYSA-N;112.11;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62532;MM62532;NN=CCCC=NO;FTYFXIGYBRBXFO-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62533;MM62533;C=CCC(=CC(N)=O)CN;LMIPRQGPWNBGJA-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62534;MM62534;CC(C)C(=CCN)C(N)=O;NSHZWDABYIYZIY-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62535;MM62535;CC(=O)C(=O)CC(C)=NO;JIYLKWWLQOSLQK-UHFFFAOYSA-N;143.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62536;MM62536;CC(C)=C(CN)CC(N)=O;YQKJNDHHGQOACO-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62537;MM62537;CC=CN(C=N)C=N;CKYAEAPQFFRPQF-UHFFFAOYSA-N;111.15;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62538;MM62538;C=NN=C(NN=C)N(C)O;IVJITXCVKXMNIY-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62539;MM62539;C=CCC#CCNC;XPTZIBILIHUQHQ-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62540;MM62540;C=C(OC=O)C(C)(C)N;BUFLNMSDOZMOOE-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62541;MM62541;CNCC(C)(F)C(C)N;LPUSFMCDCKOIAF-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62542;MM62542;CC(C)N=CNN(C)C;CNIWLUXKQSQCGT-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62543;MM62543;CCC(CN(C)C)C(N)=O;SFGSMJWTIBCZPX-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62544;MM62544;C=CC#CC(C)(N)CN;BEPBCIJQZQKRHI-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62545;MM62545;C#CC(N)CC(F)CF;AKDRZJBHXLVFJJ-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62546;MM62546;CNC(C)C#CC(C)F;QJEJXFDVGDSVKC-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62547;MM62547;CC(F)C=CN=CNN;UDRKLZBEAXSBSC-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62548;MM62548;NCCOC=CCCCO;DDTDYSUJYYBCNT-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62549;MM62549;C=C(C)CNC(C)CC=O;MUEVANFVOHQJDN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62550;MM62550;CNC(=NC=O)NC;RDGROWFVOAVRHS-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62551;MM62551;COCCC#CC(C)N;WLIOVQQHXHFTKK-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62552;MM62552;C=CC(=NNC=N)C(=N)N;DAOVLOKWANMPGA-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62553;MM62553;CC(C=NNC(=N)N)=CN;LFWHNXKUBQCDOL-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62554;MM62554;CNN=C(OC)OCCN;UIIDRQNRYLGBLG-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62555;MM62555;C=C(C)C#CCNCC;VSOLXOXSZXMFLS-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62556;MM62556;C#CCCN(N)C=NC;XXXPYWVKKFMXIJ-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62557;MM62557;N#CCCNN=CC(=N)N;AXMRRPRDVUUANF-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01557;MM01557;CCC(C)=CC(F)C(C)=O;QPGBUOXVHMXSPJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62558;MM62558;CCC(=N)N(N)C(C)=N;PHBVQUNBHIWLAW-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62559;MM62559;CCCN=CN(N)CC;SUCDUIKBOXZXBF-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62560;MM62560;CNN=CC=CC=NO;IBHBIQMSMCDEPI-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62561;MM62561;CNC(N)=CC(=O)NC=N;WZOQMGZKXJRPQC-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62562;MM62562;C=CCNN=CC(=N)N;WWLQGTDJTZBSIN-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62563;MM62563;CC=CCNN=CC(=N)N;OWOVSOLCZHFNDG-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62564;MM62564;CC(=CN(O)C(N)=O)CF;MMMIKFMIEILEIP-UHFFFAOYSA-N;148.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62565;MM62565;C=CC(C)NN=CC(=N)N;BNEBUBQSHGICLH-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62566;MM62566;C#CC(O)C(C=C)NN=C;WCPDLMLDFDSHGM-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62567;MM62567;C=CC(C)=CC(O)C(C)=O;VZKYJDDSXSCOLK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62568;MM62568;C#CC(C)C(=N)NC=N;QITSEYZLTIMKMY-UHFFFAOYSA-N;123.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62569;MM62569;C#CC(C)=C(C#C)CN;VWGWMRPRSDTWQY-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62570;MM62570;CC(C)NN=CC(=N)N;QINAKNGSEDKPCH-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62571;MM62571;CCCNN=C(C)C(=N)N;XCPRPUIEOUVFSI-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62572;MM62572;C=C(CC)C(=NN)C(=N)N;UAGQXGPPUWCGCO-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62573;MM62573;C=CC(C)=CN(O)C(N)=O;ZSWXSAVBAYKNRP-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62574;MM62574;C#CC(F)C(CNC)OC;DQQTZXHUJQAVMX-UHFFFAOYSA-N;145.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62575;MM62575;CC(C#N)=NN(C)C(N)=O;YCNAVCWPMIDRNC-UHFFFAOYSA-N;140.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62576;MM62576;COC(OC=NO)C(=N)N;OJXBXDDIOSZPIM-UHFFFAOYSA-N;147.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16415;MM16415;C#CC(C)=CC(O)C(=O)O;GRJUYEDVCUSFEQ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62577;MM62577;C=NOC(C)(C)OC(=N)N;GVOVSBIVEJMFLQ-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62578;MM62578;CC(C#N)(C#N)OC(=N)N;XPYHHAOWHYRTNB-UHFFFAOYSA-N;138.13;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62579;MM62579;C#CC(C)=CN(O)C(C)=O;RFZJHUKMZHBKQN-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62580;MM62580;C=C(C)C(C)(N)C#CCN;SHBRKTOOLHAWCN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62581;MM62581;C=C(NC(=N)COC)OC;MMGILSHUZDCPEM-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62582;MM62582;CCC(N)=CC(=O)C(C)O;DKKDOXRDVPQUDQ-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62583;MM62583;C#CC(N)CC(N)C#CC;GTUDBFPGORPZME-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62584;MM62584;C#CC(O)CC(C)C=NN;KWEIAGUVLSKOEO-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62585;MM62585;C#CC(NN=C)C(O)C=C;CGCSAXXIPYKINL-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62586;MM62586;C=NNCCC#CC(C)N;KHHZLMAAPRQWHY-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62587;MM62587;N=C(N)C(O)C#CC=NO;XYSYPRYQYSWNAL-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62588;MM62588;COC=C(C)C(N)COC;GQGCYOYLKWDCRX-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62589;MM62589;C#CC(CN)N(C)C(C)C;GYDMGRGLUPVZDH-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62590;MM62590;C=C(C)C(=O)C(=C)CNC;HHZSVAVTYHKOFG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62591;MM62591;C=NNC(C=CF)CNC;RAZUCMVFJOZSTL-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62592;MM62592;C#CC(=N)NNC(C)CC;LJGRYWCRFFVLTC-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62593;MM62593;CCC(CCN(C)C)=NN;MBWMQARGLZNDMS-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62594;MM62594;C#CC(C)(CO)NCC#N;OCMLHSCBTJWNKH-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62595;MM62595;CNCC=CC(C=O)=NO;URSJIXBOQYHMSE-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62596;MM62596;C#CC(=O)N(C)C(=N)NC;SIMKWEKDAOPZIT-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62597;MM62597;COC(C)=CC(=O)N(C)O;UXQOHBNIEXWNED-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62598;MM62598;COC(N)=CC(=O)N(C)O;CDDSOMKZCSTKPB-UHFFFAOYSA-N;146.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62599;MM62599;C=CC(C)=CC(=O)C(C)O;BSDQVZGUXJDAIK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62600;MM62600;CCN(C)C(=N)OCOC;IMCRPHOVRSCQFL-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62601;MM62601;C=CCC(N)COC=NO;MXWFQICIPLGUIJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62602;MM62602;CN(O)C(=O)C=C(N)C#N;HFKRGGVBLRBMRS-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62603;MM62603;CN(O)C(=O)C=C(F)C#N;ZQKKOSYLBHIHAQ-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62604;MM62604;CCC(N)C(C)=NOC=O;XQTHFMXVZWMDLF-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62605;MM62605;C=CC(=C)CNCCOC;CMJYYUXCNYSOPH-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62606;MM62606;CC(N)C(C)OC=NO;VWOGEJHRPITAFH-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62607;MM62607;CC=NNC(=O)C=CCN;ZRKZZNDGXTZZGO-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62608;MM62608;C=CC(CNC)NN=CC;WCXHWSNGPCMYFM-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62609;MM62609;C=CC(=C)N(OC)C(C)=N;LNBILWUOAFCGNO-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62610;MM62610;CN(C)N(C=N)C=CC=O;XMKUKHYHIXBEIL-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62611;MM62611;C#CC(C#C)N=CNC=N;GUAYXTBZLAZISC-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62612;MM62612;C#CC(N)=CC(=O)N(C)O;FQKHQNQNIXUSES-UHFFFAOYSA-N;140.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62613;MM62613;C#CC(F)=CC(=O)N(C)O;UJGWMCZYAGXKMZ-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62614;MM62614;C=C(C=C(F)CO)C(C)=O;WPUQDBJLLAYYPC-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62615;MM62615;C#CCC(=N)N(CC)NC;GVFGNSPLMCBMIY-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62616;MM62616;C=C(C)C(=O)C=C(N)OC;CQLKYQBFOWBKSX-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62617;MM62617;CCC#CCNC;KQVKKAFNIITURQ-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62618;MM62618;C#CCC(O)(C#C)C(C)N;ZIGVCYJYKCBYEY-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62619;MM62619;C=C(C)C(=O)C=C(N)C=O;LFMIHDWMGYNVBA-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62620;MM62620;C=C(C)C(=O)C=C(N)C#N;RRAYFLHONLPBHM-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62621;MM62621;C=CC(C)=CC(=O)C(C)=O;UYLOSPBPONECAW-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62622;MM62622;CC(=O)C(=O)C=C(N)C#N;XKCMKMCLTXPHRO-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62623;MM62623;C#CCC(C)(N)C#C;LNKIOYPNIHFPNA-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62624;MM62624;C=CC(C)=CC(=O)C(N)=O;NRMGBDOMWDNKTP-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62625;MM62625;C#CC(C)=CC(=O)C(N)=O;WDCYKNKAMCNLAP-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62626;MM62626;C#CC(N)CC(C)F;YMXKZCFEGOKPPG-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62627;MM62627;C#CC(C)(CN)OC;YKIUXMBNOYAUKC-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62628;MM62628;CNCCC(F)(F)C(C)O;LTMJJBKLPJWEJZ-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62629;MM62629;CCC(N)C(F)CF;LVOXEYVUDOGIIF-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62630;MM62630;C=COCC(N)C=C;LNJPEMUIEKXGNL-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62631;MM62631;CNC(C)C#CCF;RBESICGLSCSYTE-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62632;MM62632;C=CC#CC(C)(O)C(C)N;FXPZLEYDQWKWEK-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62633;MM62633;C#CC1(N)C(C)C1C;NPHLMFZFKWBNEB-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62634;MM62634;CC(N)C(C)(O)C#CCF;OZWNEGQERGJZNZ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62635;MM62635;C#CC=C(C#C)CN;SREZIGKTAYASNQ-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62636;MM62636;CC(=CC(O)C=O)C(C)C;IBAKFOINZYBTLU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62637;MM62637;COCC(N)C=C(C)C;BOTRINLNCTVAFK-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62638;MM62638;C#CC(O)C(N)CC=CF;SVPIMWPBZGBTCR-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62639;MM62639;CC(O)C(F)=CC(O)C#N;QNSXJIGJZWSMIC-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62640;MM62640;CC(=CN(C)C=O)C(C)F;UPZRCPLNGDWZKN-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62641;MM62641;CC(CCN(C)C)=NN;SVVJBTSKDPTIIP-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62642;MM62642;C#CC(C)(O)C=CCNC;ATXHQOUZNBHCGZ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62643;MM62643;C=CC(=N)N=C(NO)OC;YTPHKDRNBFWCIT-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62644;MM62644;C=C(C)C#CC(C)NC;QPKGRJFZKPNFBK-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62645;MM62645;C=CC(OC)OC(=N)N;UOQVKMQVIQFJLJ-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62646;MM62646;CC(C)=CN=CNC=N;CAWVZQPJEORUKE-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62647;MM62647;C=C(C)C(O)C(=N)NN;IVCPXQOMMQDVFX-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62648;MM62648;CNCC=CC(C)(O)CF;FFISLNXBNWCUHI-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62649;MM62649;CCC(N)C(F)C(C)N;ZXVJRKCHNSCVMA-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62650;MM62650;CNCC=CC(O)CF;STZPGJTXYILUDY-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62651;MM62651;N=CN(N)CC(O)CO;KZZPDSAQGZIKLJ-UHFFFAOYSA-N;133.15;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62652;MM62652;C#CC(O)C=C(C)C(C)O;DUOMPZWJDJBVKY-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62653;MM62653;CON=CC(N)C(C)C;UISAKUQTLXMVBE-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62654;MM62654;CC(=CC(=O)CO)C(C)F;JOVWICGXJNXZGH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62655;MM62655;CC(C)C(N)=CC(=O)CO;COUSYSADYFATLJ-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62656;MM62656;C=C(OC=O)C(=N)NN;VIOAGFDJGMGGIG-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62657;MM62657;CNC(=O)C=C(C)C(C)O;NGNKPHMWXAIMQI-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62658;MM62658;CNC(C=CF)CCF;ICUCLNHPJHFQAC-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62659;MM62659;CC(=CC(=O)CO)N(C)C;UIGIYBNQLHCILP-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62660;MM62660;COCC(O)CN(N)C=N;FHDIUWUOXLAWLS-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62661;MM62661;C=CC=C(C=O)CNC;FVEVLXIDYISYRB-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62662;MM62662;CNCC=C(C)NC(C)=O;LVNKKBYUEKQHFP-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62663;MM62663;C=C(C)N(O)C(C)=N;RERKYBRLPQYFCY-UHFFFAOYSA-N;114.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62664;MM62664;C=CC(O)C(=C)C(C)NC;CQTVQASFSTVJMG-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62665;MM62665;CN(C)C(N)=CC(=O)NO;OQSWGODFPLCOET-UHFFFAOYSA-N;145.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62666;MM62666;C=C(C)C(O)C=CCNC;FIBADQTYYHKDFP-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62667;MM62667;CCC(CF)N(N)C=N;VOROCVKRPSFQLE-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62668;MM62668;CC=CNC(=O)C=CCN;BWYXYESMDPCCDM-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62669;MM62669;CC(=N)N(O)C=CCC=O;WEDCZMMXCNSQQP-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62670;MM62670;CCC(=O)N=C(C)N(C)O;FVCNXNWPSDNTTO-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62671;MM62671;C=NOC(CO)CCOC;VFVOMTWMXBTAPC-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62672;MM62672;CNN=C(NO)C(C)C#N;IRJOXEGBCIKIOC-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62673;MM62673;C=C(F)CC(C)(F)CNC;PFCZGKJZWUZNGH-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62674;MM62674;C=CCNC=NN=CCO;BYVWJXYIQKNKEC-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62675;MM62675;CNN=CNOC(N)=O;BABUDWLHFVJSBK-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62676;MM62676;C=NOC(C)COCCO;JCMVYNSWYDFDCO-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62677;MM62677;C=C(C=NN)COCCO;YTVGGYJBJILUAN-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62678;MM62678;C=NOC(CCO)COC;VIAJPUNVSMUBKJ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62679;MM62679;C#CC(N)(C#C)C(C)(C)N;RNVCNZSKXFRCKI-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62680;MM62680;CC(=CC(=O)C=O)C(C)O;MXSKCKCLCUFVQO-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62681;MM62681;C#CC(N)C(C)(N)C(=C)C;ZIUCXPSRHHGQOU-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62682;MM62682;CC(N)C#CC#CC(C)N;LHCLVOCBHRYHLP-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62683;MM62683;C#CC(CCO)NN=C;ZNODRRMSRJGGCR-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62684;MM62684;CCC(F)CC(N)C(C)F;AMRWJRNQUCECLU-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62685;MM62685;C=C(C)C=C(C=O)CNC;GBCSEYVVSFIMRA-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62686;MM62686;C#CC(=NC)N(C)C(C)=N;JVYAUFSPKMKKGU-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62687;MM62687;C=CC(=N)N(O)C=C;UHTZPLOSZYVPBS-UHFFFAOYSA-N;112.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62688;MM62688;C#CCC(C)(O)CN(C)C;MFFPPYWZBOLVDK-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62689;MM62689;CC(=NC(=O)C#N)N(C)O;NWIDIUAHQSLSMX-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62690;MM62690;CC1C(N)C1(C)O;YCLADROOXZJARD-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62691;MM62691;C=CC(O)C=CCNC;QDLIULWPIHYTHE-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62692;MM62692;CCCNCC(F)C(C)N;XSHGYRJCKFROPK-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62693;MM62693;C#CC(=O)N=C(C)N(C)O;RVBLTHLJRIJOKB-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62694;MM62694;C=C(C)C(C)CNCCF;AUYLPMPJSMJQBA-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62695;MM62695;COCC(C)(N)C(C)O;DXWJKFKOPHUSRX-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62696;MM62696;CCOCC(C)(N)C(C)O;MXEFGMRPXGSSOJ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62697;MM62697;CC(=O)C(F)=CC(C)CO;VPHVPSORIFCABU-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62698;MM62698;CNCC(CC#N)N(C)C;NYAKBHWGMQCTSR-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62699;MM62699;C=C(C)C(N)C(C)(C)O;OGSJDXKROGRZGI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62700;MM62700;C=NNC(CNC)C(=C)C;UIBHOLQEYUHOKY-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62701;MM62701;C=C(C)C(C)=CC(O)C=O;VLDSLEZBDBBZDT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62702;MM62702;C=CC(O)C=C(C)C(C)=O;KNASWNFJDPFIPO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62703;MM62703;CC(=O)C(C)=CC(O)C#N;BHHRGNQEOPDNRC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62704;MM62704;CC(C)(O)C=CC(=N)NO;BFDNHLQREIHYOE-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62705;MM62705;CC#CC(CN)(CO)CF;ZHESRMBWUOMTMJ-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62706;MM62706;CC(=O)C(C)=CN(O)C=O;MRZDHZHXKSITOY-UHFFFAOYSA-N;143.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62707;MM62707;C=NN(C)CC#CCCO;CNPUJPWVGCMJNY-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62708;MM62708;CC=CN(CCN)C(C)=O;QKELVTUVOYFTHU-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62709;MM62709;COC(C)C(C)(N)CO;GASVRYGILWRQLM-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62710;MM62710;CCOC(C)C(C)(N)CO;QADAUZJQZPJRCW-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62711;MM62711;CCOCC(N)(CC)CO;NFETYGJKOITDID-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62712;MM62712;CCOC=CC(C)(N)CO;VJHSHVSAZZWTIL-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62713;MM62713;C=COC=CC(C)(N)CO;GAIHUPVSZIZQBY-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62714;MM62714;COC=C(C(C)N)C(C)O;GQMGGDCYQHXFEO-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62715;MM62715;C#CC(C)(CN)OCCF;UJSSFZYKJYTSMH-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62716;MM62716;C=NN=CC(C)(CN)OC;WCLGXFMQKKVMSN-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62717;MM62717;C=C(C)C(N)=CC(=O)C=O;WRRFQZDBASVINM-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62718;MM62718;C=NNC(C=O)C(C)OC;MAJTZOWJKZXAPA-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62719;MM62719;N#CC(=O)C=C(N)C(N)=O;HTUDDGNNIGVEGL-UHFFFAOYSA-N;139.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62720;MM62720;CN=C(C)NC(=NC)NO;RYAUFGCYVSFGJT-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62721;MM62721;CC(=NO)N=C(C)N(C)O;GSFHBVGHTWYHLQ-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62722;MM62722;C=NNC(COC)C(C)=O;OSCAMXVVBKHULA-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62723;MM62723;C=NN(C=NNC)C(C)C;KGUZVOKHIPYQSY-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62724;MM62724;C=CC(CF)CC(N)CF;YTVCWCGZOBSLQV-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62725;MM62725;C#CC(N)CC(C=C)OC;NPOAZXGGVCWCAE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62726;MM62726;C=CC#CC(CN)C(C)O;FFMOTXSHWZOBLD-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62727;MM62727;C=C(CNC)C(=C)C(C)O;XJQYARAFXVDANN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62728;MM62728;CC=C(CC#N)C(=N)NO;MHDPCQBUVUDBQA-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62729;MM62729;N=C(C=CCF)NO;FBYUPAZOHLHVQN-UHFFFAOYSA-N;118.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62730;MM62730;C=NOCC(N)CCCF;ZGJSXLAMNCZVPP-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62731;MM62731;C=C(CF)C(C)ONC=N;ZAHPRDYPXXTWCV-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62732;MM62732;C#CC(C)C(N)C#CCN;YYYPKQKYGGHNBZ-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62733;MM62733;C=CC(N)COC=COC;LKFSTYMMCKMACP-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62734;MM62734;CC(C)=C(C)CC(O)C=O;ZQPSVLYNQRUDBS-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62735;MM62735;CC(F)=C(C)CC(C)C=O;HKSAZQLUSWSRAX-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62736;MM62736;CC(F)=C(C)CC(O)C=O;DVFGHJGIHXLWCU-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62737;MM62737;C=NOCC#CC(C)NC;AZDIPFMNQWGPLQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62738;MM62738;CNCC=CC(C)(C)O;YBLHSXVZMWWGGM-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62739;MM62739;C=CC(CCF)N(C)CC;IOGPKZBJTRDURQ-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62740;MM62740;C#CC(NCC)C(N)C=C;MWYLFONVNIWJAW-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62741;MM62741;C=NNCC(CN)OCC;ZEQRJMSYHDGUSB-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62742;MM62742;CNN=C(NCC#N)OC;NPFOMCHKWBEKLJ-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15369;MM15369;C#CC(O)CC(C)=C(C)C;PGXNHCVVEQWQJI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62743;MM62743;CC(C)=C(C)CC(=O)CO;RLUYJFRPNNSTSG-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01558;MM01558;CCC(=O)CC(C)=C(C)F;VNIQZBWXNFYUGM-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62744;MM62744;CC(F)=C(C)CC(=O)CO;WUPAFLLNYRMHNL-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62745;MM62745;CC(C)=C(F)CC(=O)CO;DWESZCLREUTNQV-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62746;MM62746;C=C(C)C#CCC(N)CO;FTOOMUHTEWOGQE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62747;MM62747;N#CC=CN(C=N)NC=N;SLVVOEDGJACDHF-UHFFFAOYSA-N;137.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62748;MM62748;CC(F)=C(C)CC(=O)NO;XLIJYLUPLODDKC-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62749;MM62749;C=NNC=CC(=O)N(C)N;FXMOBXFCEFVFNG-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62750;MM62750;C#CC(C=NOC)NC=N;NMSFJERNOIAPAH-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62751;MM62751;CNCC=C(C=CF)CO;LQYHQBXQFALDIP-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62752;MM62752;CC(C)=C(C)NC(=O)CO;WGVBVGHUZPTXJQ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62753;MM62753;CC=CCN(C=O)C(=N)N;RQJZEGWIQMEYME-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62754;MM62754;CNN=CCCOC=NN;QHRJRPACWBBFGC-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62755;MM62755;C=NNC(=N)OCOC;ZWUBUNWMDRJNBA-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62756;MM62756;CC(C)=C(C)NC(=O)NO;CBZARCXDHCBYKU-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62757;MM62757;CC=CCNNC(=N)C#N;JOCFCKFFGLKTAZ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62758;MM62758;C#CC(N)=C(F)C=NN;GANMVEOHKLSQCQ-UHFFFAOYSA-N;127.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62759;MM62759;C=CC(=CCNC)CO;AOGLVDZGZUNRES-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62760;MM62760;COC(=O)NC(C)=C(C)C;BTAMCKLWJFJWTD-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62761;MM62761;CCC=CN(C=O)C(=N)N;QAJWWPUPRIRRNN-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62762;MM62762;COC(=O)OC(C)=C(C)F;KANYXPQHCJQODK-UHFFFAOYSA-N;148.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15318;MM15318;C=CC(=O)CC(C)=C(C)F;ZKXDBNODFUAXMN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02203;MM02203;CC(F)=C(C)CC(=O)C=O;GDJJARXXRZOFHT-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15315;MM15315;C=CC(=O)CC(F)=C(C)C;MJYXEHBKUHSOKR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02192;MM02192;CC(C)=C(F)CC(=O)C=O;AEBPSRXKLXTEKZ-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62763;MM62763;C=CC(CNC)=C(C)CO;JVQNJTMABZZJLL-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62764;MM62764;CC(F)=C(C)NC(=O)C=O;CTQVSQHFRZWKQJ-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62765;MM62765;C=CCOCC(=NC)NN;WRJAARJTRSFUQB-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62766;MM62766;CC(C=O)=CC(C)=C(C)F;LDUDWWQWWCRVOF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62767;MM62767;N#CCC=CN=CNC=N;FYRHAPNGLKMPOQ-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62768;MM62768;C=CC(=CC(C)O)CNC;ZSZMJMVVPXGGQE-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62769;MM62769;CNCC=CC(C)O;LROUMVMCQUNQCL-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62770;MM62770;N#CCNC=NOCC#N;YLZVUNDXUWWZGH-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62771;MM62771;CNCC#CCCC=NN;RQTFYELKQGLICV-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62772;MM62772;C=CC(=CCO)CNC;GSZMZNVLXMLZJT-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62773;MM62773;CC#CC(C)N;HXMBFZYELIIEJI-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62774;MM62774;C=CC(CC=NNC)=NO;QIIJSRXNRIFILJ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62775;MM62775;CC#CCNC;NHRCYVYZAAVHCD-UHFFFAOYSA-N;83.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62776;MM62776;C=C(C)C(=CCO)CNC;ZGWUATKBACONSB-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62777;MM62777;CNCC=CCO;QGQWPRACRGTKCQ-UHFFFAOYSA-N;101.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62778;MM62778;C#CC(N)CCF;JKNKZWHMTHGZJY-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62779;MM62779;COCC(C)OCC(C)O;WGYZMNBUZFHYRX-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62780;MM62780;N#CC(=CF)CNC=NO;UPFAYIOTSFBBMU-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62781;MM62781;N#CC=NNC(=O)NC=N;QIEHFFJRCCIBOL-UHFFFAOYSA-N;139.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62782;MM62782;C#CC=NNC(=O)NC=N;QQNOWVAWCDNDTH-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62783;MM62783;C=NNC(C=CN)=NO;JCSKJEZPOPEHJL-UHFFFAOYSA-N;128.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62784;MM62784;CC(F)C(N)CCF;UMJOJNABHJIYMV-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62785;MM62785;CC(F)CCC(O)CC=O;KIXFNZGVIVBVHT-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62786;MM62786;CC(N)C(F)CCF;NMCFKINJQWPHQF-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62787;MM62787;CC(O)COC(C)CC#N;HYEWPICTFGYYBF-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62788;MM62788;C=NOC(C)C(C)N;WPFTVYRVEGVYEL-UHFFFAOYSA-N;116.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62789;MM62789;CNCC=C(C)C(=O)CF;ITLMVXDCHWZRQG-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62790;MM62790;CC(C)C(F)C(C)N;FVZFLNKAEIMKTJ-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62791;MM62791;CC(=CC#N)C(=O)NC=N;KFCOAAWQWWLGKC-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62792;MM62792;CCC(C)(CF)NC;LWBJKAPBLMYCMC-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62793;MM62793;CC(CF)C(N)CF;RMQQDMYDFBLZJF-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62794;MM62794;CC(=CF)C(=N)NN;DIRWWVGNMAODFC-UHFFFAOYSA-N;117.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62795;MM62795;C=CCCC(N)CF;ZFULOAZNDHGLGZ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62796;MM62796;C=CC#CC(=C)CN;NBVKVQKCVQZCMT-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62797;MM62797;COC(C)(C)OC(=N)N;FURMMVGWWSNOFT-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62798;MM62798;CC(N)C#CCN(C)C;MPROGAKJWAEHDI-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62799;MM62799;CC(=NNC(=N)N)NC=N;USVGHOZJHWAHJK-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62800;MM62800;C=CC(C)CC(N)CF;NMDOKPCXAGBZQZ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62801;MM62801;CCCNC(=O)C=CCN;JHJVWYIIYOMBEX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62802;MM62802;CNCC=CC(C)NC=O;RTQWSULVILHFDL-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62803;MM62803;COCC(C)CNC(N)=O;ANGKHRYLHWADCW-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62804;MM62804;C#CC(N)CC(C)OC;FPJQNADVSVBOQO-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62805;MM62805;CCCNNC(=O)N(C)C;LGOIAFGSSLJSOA-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62806;MM62806;C=C(C)OCC(O)CCO;CKYMNPRMZLQJCK-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62807;MM62807;C#CC(N)CC(N)C#C;XFRLGZABFSQKOI-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62808;MM62808;COC(CF)OC(=N)N;XSCANPUTGAVTPK-UHFFFAOYSA-N;136.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62809;MM62809;COCC(N)C=CCF;ICAGTGNPFLUHSY-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62810;MM62810;N#CC=CC(=N)NC=N;XINHGKHXXXAREW-UHFFFAOYSA-N;122.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62811;MM62811;CC=C(CN)CC(=O)NC;UTBMXMJPJNEVGA-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62812;MM62812;CCC(C)C(F)C(C)N;GXMCQEIPSVGSBJ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62813;MM62813;CCC(C(N)=O)=C(C)CN;OBBSGJDBUCHHEI-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62814;MM62814;C#CCCC(C)NNC=O;LBTGJYIYPHPDSX-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62815;MM62815;C=CCNCC(=C)C=C;MCRDDCHVEJCYGY-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62816;MM62816;CNC(C)C#CCOC;YFENNPYICBKBPR-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62817;MM62817;CNN=C(C)NCCC=O;MGARIOCFJIXZML-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62818;MM62818;COCC(C)OCC(N)=O;GMIAESCWMAABRA-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62819;MM62819;C=CC(=C)C(N)COC;BAJJXNMKGIUTKC-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62820;MM62820;CCOC(C)ONC(C)=O;STQIDEPRXVPEOY-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62821;MM62821;CCCNC(=NC=O)NC;BCWLVSZIGNGJKR-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62822;MM62822;C=CCC(=NNC)NC;PDXWUANRDCMICS-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62823;MM62823;C=C(C)CCC(O)CC=O;FLLFXZPVCRJMFJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62824;MM62824;CC(=O)CCC(O)CC#N;UGTRREZKHXNQCP-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62825;MM62825;C=COC(C)CNC(N)=O;UEBZFLWQDAXZJN-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62826;MM62826;C=C(CF)C(=N)NOC;MRRCANNQRGWIOJ-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62827;MM62827;CC#CC(CNC)NC;WCXWSZZSEBHARZ-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62828;MM62828;C=C(C)OCC(O)CC=O;NZHBLUJPZNQVKP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62829;MM62829;C=C(C)CC(C)(F)CNC;UVOZCJFJZFXPKO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62830;MM62830;CC#CC(O)CCC=NN;CFOYUIDTIJQYRY-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62831;MM62831;C=COC(C)(C)OC(=N)N;JUWCUADWDORKJX-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62832;MM62832;C#CC(=NC)N(O)C=NN;BVEUYUSUYVMFEG-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62833;MM62833;CC(C)(OC=O)OC(=N)N;ZYMXYRKJKGJPSX-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62834;MM62834;C#CC(OC=C)OCCN;CMOLLVOCNFZCIA-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62835;MM62835;C#CC(=O)C(C)=CCNC;GJZLFQGJFWINET-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62836;MM62836;CN(C=N)C(=N)C(C)(C)N;XDRKXDCKEUNWQH-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62837;MM62837;CC(CC#N)OCC(N)=O;MIWAMHYVOYRXKO-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62838;MM62838;CC(CC#N)OCC(=O)O;LDILVTWWGRBBJX-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62839;MM62839;CCC(C)(O)C=NNC;UAGASXYEPKCAER-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62840;MM62840;CNN=CC(=N)N;QPELCWOCXDNNIG-UHFFFAOYSA-N;100.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62841;MM62841;C=CCC(O)C=NNCC;AFBKYWAZLFYIRA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62842;MM62842;C=NOC(=N)N(O)CC;VOQPSMSZPZETQZ-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62843;MM62843;C#CC(C)(C#N)OC(=N)N;ALGIGSYDOLMUKX-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62844;MM62844;CCC(C)(N)C(=N)NC=N;XANVLUBFPGFPCY-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62845;MM62845;CNN=CC=CNC=O;JGWYJLZJJXSFBX-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62846;MM62846;CNCC(C)(C=O)CC#N;YXIFUXSQKPAHPH-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62847;MM62847;C#CCC(C)OCC(N)=O;FBSFCWDJBQXNRB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62848;MM62848;C=C(C)C(=N)NC(=N)CF;CWXAJKVZMOXYNE-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62849;MM62849;C#CCC(C)ONC(N)=O;XYIFQDPAPUYLBX-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62850;MM62850;CC(C)=NOC(C)C(C)N;FQLYDSCKNKAQLC-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62851;MM62851;C#CC(N)CC(C)OC=O;INBXKTAZPQGBNA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62852;MM62852;N#CCNCC#CCO;BBUFRTONLRBTOI-UHFFFAOYSA-N;124.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62853;MM62853;CCNC(=O)CCC(C)O;SFNIHXOFOGHXTB-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62854;MM62854;C=NOC(CC)OC(=N)N;MESSDVGUWFCEDD-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62855;MM62855;C#CC=CC(O)CNN=C;XWMRQEWOONDGNL-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62856;MM62856;C=COC(=C)CONC=N;TVLXMJUJDNKSSN-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62857;MM62857;C=COC(=O)CNC=NC;OBZOPKYZZMXACP-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62858;MM62858;CC(C)CNC(=O)CCO;AIIPDRNDVONXAW-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62859;MM62859;CCCC(=O)NCC(C)O;MUULCPJUUOCRAT-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62860;MM62860;C#CCC(O)CC=NN;LFLKAIAZPMORJO-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62861;MM62861;CCNC(=O)NCC(C)O;YAJAJCKACYHFLI-UHFFFAOYSA-N;146.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62862;MM62862;C=CC#CCC(=N)NC=N;JEJCWOILMOTIQV-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62863;MM62863;C=COC(=C)C(=N)NC=N;UELCJMMKXJIJFZ-UHFFFAOYSA-N;139.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62864;MM62864;C#CC=C(NC=N)OCC;LBUKSQZPRJETFG-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62865;MM62865;CCC(N)(C#CCF)CN;UTLPRUHQSFTQKD-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62866;MM62866;C=CC(N)COC(C)OC;YNBKKMUGYAXEBP-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62867;MM62867;C=CCCNN=CC(=N)N;DPPIHCZQQQIAIA-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62868;MM62868;C#CC(C)CN(C=N)C=N;YMJGUWHNSLIETP-UHFFFAOYSA-N;137.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62869;MM62869;CNCC(C)OC=NN;NMMUTKIJZNZIAS-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62870;MM62870;C=NNC=CC(=N)NC=N;OHCCKFYFRWHQFD-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62871;MM62871;C=CC(C)=CC(C=C)NC;DBCCJUKLRWSSJS-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62872;MM62872;CNCC(C)OC(C)=NN;JKWZGLFQCKOIAW-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62873;MM62873;CC(CF)C(C)N=CNN;NWXXAFQSVHKTHW-UHFFFAOYSA-N;147.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62874;MM62874;C=CNC(=O)CCC(C)O;XIXSLOLZOALGKP-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62875;MM62875;CNN=C(CC#N)NO;XRNSSXWYCXLMQN-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62876;MM62876;CCN(C)C(C)C#CCN;YTJYDBFGMDJWNP-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62877;MM62877;C#CC(=N)NNCCCC;HKNGDLBBARXDGY-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62878;MM62878;CNCCC(=O)C#CC=O;UTMHQQKDJLVALT-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62879;MM62879;C#CC(N)C#CCNCC;RVXMMSDQBTYDCE-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62880;MM62880;C=CC(C)=C(C=O)CNC;QIBOINHXYSSGPF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62881;MM62881;CCC(N=CNO)=NOC;HPGFEMUHDDXTRJ-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62882;MM62882;CNCC=C(C)C(C)=O;JLJVYNQPNXASQE-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62883;MM62883;C#CC(NC=N)=C(C)OC;BPANZJMRPZJJFA-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62884;MM62884;C=C(C#N)C(=N)NC;HLVQJWGSQAVNMH-UHFFFAOYSA-N;109.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62885;MM62885;CC(C)CNC(=O)NC=O;RXONVQAVPGALHE-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62886;MM62886;C#CC(C)(C#N)NCCO;VEQZGZAUNSBEBG-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62887;MM62887;CC=CN(C=NC)C(N)=O;UCELYPYGKPVDEK-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62888;MM62888;NCC=CCCOC=NO;JJFUAZPBVKQLMG-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62889;MM62889;C=NNC(=O)NOC(C)C;PBLJRFSBICVDMW-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62890;MM62890;C=C(CC#N)OCC(C)O;JEADODFZICCHSB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62891;MM62891;CC(C)COC(=N)NC=O;XIBYONPKVBKQPA-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62892;MM62892;CC(C)COC(=O)NC=N;GMNAMPCIUACKGS-UHFFFAOYSA-N;144.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62893;MM62893;CCC(N)COC=NO;FOZXYSAMHSTZLF-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62894;MM62894;CCNCC(O)(C=O)CC;OJHSMOLEPBXPEX-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62895;MM62895;C#CC(NC=N)=C(C)C#N;YHSPAYJMXQEYJQ-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62896;MM62896;C=CC(CNC(C)=O)=NN;WMNPJIWSKXUBCK-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62897;MM62897;C#CC(C=NN=C)NC=N;SYQSYSSLXJZENS-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62898;MM62898;C#CC=C(F)C(O)CN;KOYPAPGDAZFKKW-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62899;MM62899;C=C(CCO)CCC(=O)O;KGGJFJFWMPJVQS-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62900;MM62900;C=C(C)CCC(=O)CCO;HJHDDKICXDNOIW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62901;MM62901;C#CCNC(=NC)C(C)N;PNESFYPXBUNHKH-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62902;MM62902;CC(C)=C(F)C(O)CN;FOWBMOVBTGUXLV-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62903;MM62903;COCC(=O)CCC(C)=O;NYLORKCBIYQWAF-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-ethoxy-4-oxobutanoic Acid";MM03684;CCOC(=O)CCC(=O)O;LOLKAJARZKDJTD-UHFFFAOYSA-N;146.14;0.41;70610;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62904;MM62904;C=NOCC(=CC)C(N)=O;TZFAODPQJYFGQP-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62905;MM62905;C#CC(=O)C(=O)C(=N)N;MCFHGAMPQCSDPB-UHFFFAOYSA-N;124.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62906;MM62906;C=C(COC)COC(N)=O;LIXZKHZTYOFNDA-UHFFFAOYSA-N;145.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62907;MM62907;NCC#CCN;CSZGEDPWASKNHR-UHFFFAOYSA-N;84.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62908;MM62908;C=C(C)CNC(=O)NCC;AWIYBXFPRDUJPF-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62909;MM62909;CNN=CC(C)(C)C(N)=O;WIHFCLVZIICYAP-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62910;MM62910;CCCC(N)CF;HZMXUPWJJVYGSJ-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62911;MM62911;CCCC(=O)OCC(N)=O;XBCPYUUUGVXLEY-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62912;MM62912;CCC=C(F)C(O)CN;QRFRBGJXNYRLGP-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62913;MM62913;CC(C)(C)NCC(O)C=O;RPQNKDGUKCAHLZ-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62914;MM62914;CC(=O)NC=C(C)C(C)N;WCASJEWJNQFWLK-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62915;MM62915;CNN=CCC(=O)C=CN;ROKJFBXPPDZECG-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62916;MM62916;CCC(N)C=C(C)NC=O;HJRHIIQBQYLWNP-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62917;MM62917;C=C(CC#N)CCC(N)=O;NYDDIVRUJRJGPN-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62918;MM62918;C=CC(N)COC;MYBIZBWJJKFVQW-UHFFFAOYSA-N;101.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62919;MM62919;C=C(C)CCC(=O)NC=O;WYJFVAHWCFZLLH-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62920;MM62920;C#CC(=O)CNC(=N)C=O;UCBNFBRBLSVPNB-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62921;MM62921;C=NN(C=NNC)CC;QGVPUUGZCWGRSX-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62922;MM62922;C=C(CC#N)CNC(C)=O;RGGYMIRRHKVGGI-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62923;MM62923;C=CCC(=C)CNC(N)=O;GKCLJGBJVJTGDC-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62924;MM62924;CNN=C(C#N)C=CN;SWFYOFPGBNYUTP-UHFFFAOYSA-N;124.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62925;MM62925;C=CCC(=O)CNC(C)=O;VWGRNBGZCOSHPK-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62926;MM62926;N=C(C=CF)NN;VMIVINPWJVLPJD-UHFFFAOYSA-N;103.1;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62927;MM62927;CCC(F)C(C)N;OSDXNACZOQCTSX-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62928;MM62928;C=CC(C=C)NC;MVBUCDZWKBSSSW-UHFFFAOYSA-N;97.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62929;MM62929;C=C(CC#N)COC(N)=O;YPLCHDVZBVMCIH-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62930;MM62930;CCC(O)C(C)OCCN;DWYZVZYLBGVWIA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62931;MM62931;C=CCC(=O)NCC(C)=O;ZRCGNGLINLDJDE-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62932;MM62932;C=CNC(=O)NCC(=C)C;BAWNKOIKVPXQIN-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62933;MM62933;C=NNC(=N)C=NN;RROFNKKPTISZRZ-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62934;MM62934;C=CCNCC=C;DYUWTXWIYMHBQS-UHFFFAOYSA-N;97.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62935;MM62935;CC(=O)NN=C(N)CC=O;ASRVIFFISGZAPW-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62936;MM62936;CC(=O)NN=C(N)CC#N;MDFVJALKORMIHB-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62937;MM62937;CC=NNCC(=NN)OC;CEPPTWFTNDIOPQ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62938;MM62938;C=NOCC(=CN)C(C)=O;PULCJRZBBHZLIV-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62939;MM62939;CN=NC(=CNN)N(C)C;PKPORIYEQWUOPC-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62940;MM62940;CN=NC(=CNN)NC;RNVIYJZGLLVOJL-UHFFFAOYSA-N;129.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62941;MM62941;C#CC(C#CC(C)O)CN;NBTHYTDQYASZJS-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62942;MM62942;C=C(CC=O)OCC(C)=O;MPHFYTYQWWETRM-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62943;MM62943;C=CC(N)C=C(F)F;MQRBZKVVIKALIR-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62944;MM62944;CCC(C)(O)COCCN;LEGOHLRFQVCNLY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62945;MM62945;N#CCC(=O)ONC(N)=O;LUJPOTNOAORFLL-UHFFFAOYSA-N;143.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62946;MM62946;C=NNC(=N)ONC(C)=O;NWDNEZMINZZGSH-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62947;MM62947;CC(C)(CO)OCCN;KWNNONMIVPIHGS-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62948;MM62948;C=C(C#CC)CNC;MCKQUGRLMUGYLY-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62949;MM62949;C#CCC(N)=NNC(C)=O;XEWMDHYAVXTIBG-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62950;MM62950;CCC(C)(CO)OCCN;BYAMFFXETOABGK-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62951;MM62951;CCN=NC(=CNN)NC;IJZDUNJIYZTDQZ-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62952;MM62952;C#CCC(=O)NOC(C)=O;ORWINUFBMPLQCN-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62953;MM62953;C#CCC(=C)OCC(N)=O;ATRKCLJYVZWWDL-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62954;MM62954;C#CCC(=O)OCC(=O)O;MGYQBKSUWVYRKY-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62955;MM62955;CC(O)CCC(O)C=CF;CXPVFRAQEFXXLH-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62956;MM62956;CCCC(F)C(C)N;CNVKTNRTQOFAMC-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62957;MM62957;NC(CF)CCCF;JTUGXJKINYFVAP-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62958;MM62958;C#CC(=C)NC(C)=NO;BJVZQZSSQNNYJQ-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62959;MM62959;C=NNCC(N)CN;CKGZWGIVSOSAFX-UHFFFAOYSA-N;116.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62960;MM62960;CCNC(C)(CO)CO;ZKUVSQYRMNXIMJ-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62961;MM62961;C#CC(=N)N=CNC(N)=O;KMVKIDDPVQRKSU-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62962;MM62962;CC(C)CON(C)C=NO;JKOXRPGYGIUYLO-UHFFFAOYSA-N;146.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62963;MM62963;C=C(C#CCF)CN;NAYHCQDBJVVZQH-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62964;MM62964;C=NNCCNCC;ZJEJOCRTXQNBCG-UHFFFAOYSA-N;115.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62965;MM62965;CC=CC(O)CCC(N)=O;CBZQGCSWOYVIBE-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62966;MM62966;CNCCC(C)(F)C#N;RQFWWWTUDHIKLN-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62967;MM62967;CNCC#CCN(C)C;WTXOJBWQPYKTCU-UHFFFAOYSA-N;126.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62968;MM62968;COCC(C)ONC=N;AZKNROODCLTUBE-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62969;MM62969;C=CCCC(N)C#CC;VJKWHWMMWFWDHU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62970;MM62970;C=NN(C)CC(=O)NC=N;HEOJABURICPJFX-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62971;MM62971;C=C(C#CCC)CNC;LBTXRALGOPLCSO-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62972;MM62972;C=C(C)C(N)C(N)CF;ZIPLDJOWFWJDDL-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62973;MM62973;CCN(C=CCO)C=NO;LZWJSZBDAIUHCC-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62974;MM62974;N=C(C=CC=CF)NC=O;PJONUXLMEHNCDY-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62975;MM62975;C=NNCCC(=O)NN=C;URFURTSLUKFSDB-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62976;MM62976;COC(=N)NN=CC#N;XYAHMJIRGGMXMQ-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62977;MM62977;CC(N)C(F)CCCF;KESUUACQERYALJ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62978;MM62978;CCCC(O)COCCN;CLNSFGCUPKPNGR-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62979;MM62979;C=CCCCC(N)CF;JRZZPDHDCWHLEC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62980;MM62980;C=CC(N)COCCF;RYJHENIOZXYADM-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62981;MM62981;CC(C)CNC(=O)C=NO;ZZXYQTPFLJYZQR-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62982;MM62982;C#CC(N)CCOC=C;QDFRPFAXGJZRBO-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62983;MM62983;C#CCCC(=O)NNCC;BXQQIBXISXGUFV-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62984;MM62984;CCCCNNC(=O)NC;RRXOHQIDIKIULP-UHFFFAOYSA-N;145.21;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62985;MM62985;CC(=O)CCC(=O)C=CN;QLGVRMREPDLDBS-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62986;MM62986;CCC(N)C(F)C=CF;CEOBXYVWIQILJA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62987;MM62987;CCNNC(=O)CC;NQUUVCNFMOESGT-UHFFFAOYSA-N;116.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62988;MM62988;C=C(C)OCC(=O)C=CN;UTLXBXHZWYFWNA-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62989;MM62989;CCC(OCCN)C(C)O;ZKGXNPFHEBOPMQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62990;MM62990;C=CCCC(=O)NNCC;AHEDINUODPSMHJ-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62991;MM62991;C#CC(CNC)C(=O)C=C;OKGPFJZJSKOKLS-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62992;MM62992;CN(C)CC(C)(O)CCF;SJQFMIZOMIUOEB-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62993;MM62993;N=CN=C(NC=N)NC=N;FTWCSLBVVBSVOU-UHFFFAOYSA-N;140.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62994;MM62994;CC(=O)NN=C(N)C=CN;FDAOXNPBHPHYFY-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62995;MM62995;C=CC(O)CC(C=C)NC;ZGXQBVFWNASEDD-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16546;MM16546;CC#CC(O)CCC(=O)O;YLMZLJZXJJNRGR-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62996;MM62996;C=NNCCC#CCO;CDZQMDIOOPGESD-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62997;MM62997;C=C(C#CC)N(N)C=N;CPZVWZSDHOJBLD-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62998;MM62998;C=C(F)C(CNC)NC;BRKHLAYWTKZPPL-UHFFFAOYSA-N;132.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM62999;MM62999;C=CNC(=O)CC=NNC;IFEGMXLHDZNTSQ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63000;MM63000;C=CC(=NN)C(=C)NC=O;NOSRSIQMNBSKJS-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63001;MM63001;C#CC(NC)C(C)CF;IEUBNMKKQSBRJV-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63002;MM63002;C=NNCC#CC(O)CC;HSSOPWYIZDLSFL-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63003;MM63003;C=NNCC#CC(C)(C)O;NTWZAWWRSFLXGP-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63004;MM63004;C#CC(N)C(=NC)NC;UZOVZZODQYCYMJ-UHFFFAOYSA-N;125.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63005;MM63005;CNN=CCC(=O)NC;OTZLHZVJTKMZIE-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63006;MM63006;C=C(C#CC)CNC(N)=O;PTBKPPMOMNKGEU-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63007;MM63007;COC(=N)N(O)CC#N;ZIKPNHYCHXQQDL-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63008;MM63008;CC#CC(=O)NN=C(C)N;CGZFKVNCYGNDBR-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63009;MM63009;CCC(CF)ONC=N;NPCWZQDWGWSHJN-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63010;MM63010;N#CCCN(C=N)C=N;JHPSBZJZQMPAHW-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63011;MM63011;C=CCC(O)C=NNC;YNWOPJJLLYFRMI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63012;MM63012;CC=NNCCNCC;GBHQPTUAAXCTQQ-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63013;MM63013;C=C(OC)C(=N)NO;CVRNCLXISRIEEM-UHFFFAOYSA-N;116.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63014;MM63014;CC(=CCO)OCC(C)O;CUNFKXJMGXMHQY-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63015;MM63015;CC(O)CCC(N)=CC=O;QXZGIQOCDWFVET-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63016;MM63016;CON=CCONC=N;KMNVDYFKRHAPQF-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63017;MM63017;CC(=CC=O)NCC(C)O;IAEMZBPGTBDJGV-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63018;MM63018;C=NNC(C=O)(CC)CO;XEOUBEKAWHDTQP-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63019;MM63019;CN=C(NO)C(N)=O;WHDVXNMTPUCDEC-UHFFFAOYSA-N;117.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63020;MM63020;NN=CN=CN(O)CCO;XVRHCIKXYPQRHC-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63021;MM63021;CCON=C(C=CN)NO;FEKKMPCHPRSISM-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63022;MM63022;CC(=NNC(C)C)NC=O;IYHRGDZUDGPYPU-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63023;MM63023;CNC=CC(=NOC)NO;CUXIVXKLCAMQDJ-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63024;MM63024;CC(F)COC(N)=CC=O;AMCJYFCPOGFVTR-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63025;MM63025;C=NN=C(C)OCC(C)O;XUEZXVFNPJVIAL-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63026;MM63026;C=NN=CCONC=N;DYSBZKZCHAFOET-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63027;MM63027;C=NOCCO;IASYEMBYNCYGNA-UHFFFAOYSA-N;89.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63028;MM63028;C#CC(NN=C)C(=C)CO;AXQYNCZLQLMCIA-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63029;MM63029;C#CC(C)(C#C)OC(=N)N;MTVWXQLEVFZBLB-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63030;MM63030;C=CC(C=C)(CN)CO;JCBGIEKZJABHGQ-UHFFFAOYSA-N;127.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63031;MM63031;CCC(F)(F)CONC=N;JAYCZOPKVKRDTL-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63032;MM63032;C=NN=C(C)CONC=N;NFEUBODQPMSNSS-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(4-hydroxybut-2-en-2-yloxy)acetic Acid";MM03592;CC(=CCO)OCC(=O)O;NHJUGHALWZKUAT-UHFFFAOYSA-N;146.14;-0.02;89250521;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63033;MM63033;C#CC(CNN=C)C(C)=O;AIXYBDZVQPOTSR-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63034;MM63034;CN(C)N=CCC=O;UHDUGMHZBDYXRM-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63035;MM63035;C=NN=C(C)CCC(=O)O;NYFDXTYBTHXMIN-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63036;MM63036;CC=CC(=O)N(C)CCN;PUERAAUZXHSVPU-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63037;MM63037;CNC(C)(CF)CCCF;GNIYAWWUBXEYQL-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63038;MM63038;CC(=CC#N)CNC(N)=O;GYKYOFCZPLWVJO-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63039;MM63039;C=CC(C=CC(=C)C)NC;IMEBWPWYCDVFPM-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63040;MM63040;CC(C#CCN)C#CCN;RWNQHPWHMITNBZ-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63041;MM63041;C#CCOCCC(N)C#C;BBBPBJRYDLCHEN-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63042;MM63042;CN(C=O)C=NOCCN;IHQIRRIGKXONRI-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63043;MM63043;C=CCC=NNCC(N)=O;LLBZZTUXUSNDSC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63044;MM63044;CC(C)(C=NN)C(N)=O;VDHUNIAIFKBOOK-UHFFFAOYSA-N;129.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63045;MM63045;CNN=CC=CC(N)=O;RZOFQBZRGZVYBR-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63046;MM63046;CC(=O)NNC(C)=CC#N;AYTCJSDPQFPIFC-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63047;MM63047;C=CC=NNC=NNC;MVQZZAPSELEDJX-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63048;MM63048;C=NN(C)C=NNC;JYIZGTZXUJXBKH-UHFFFAOYSA-N;114.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63049;MM63049;COC=NN=CNC(C)C;OECAEDGLYRVGBH-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63050;MM63050;CC(=O)NN=C(C)NC=O;RFSIMHLXWUCPMF-UHFFFAOYSA-N;143.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63051;MM63051;C=NOCC(N)=CC(C)=O;RYZMFJKSFAQKSB-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63052;MM63052;C=NNC(C)(C)C(=O)OC;JHBOXQDNMMQSAM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63053;MM63053;C=NNC(C)(C=O)COC;RMZWXUPBLLLHRD-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63054;MM63054;C=C(C)C#CC(CN)CO;BPPWNROZKWXGGS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63055;MM63055;C=NNCC#CC(C)OC;MLGJBNHRARYOND-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63056;MM63056;C=C(C#CCOC=O)CN;QZLCUYGIWGDOHJ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63057;MM63057;CC(=CC#N)OCC(N)=O;JOISNLOHDRSGCM-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63058;MM63058;CC(=O)COC(N)=CC=O;ILKZWKIBSNGKHS-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63059;MM63059;CC#CC(CF)C(N)CO;CGVSUFNJOOAPFZ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63060;MM63060;N#CC=C(N)OCC(=O)O;RHKQECRJVPXOPT-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63061;MM63061;C=CCC(CF)ONC=N;ANACVHAFFSFFMP-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63062;MM63062;C#CC=C(C)CNC(N)=O;GBCOOVAOPBNEFT-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63063;MM63063;CCCCN(C=O)CCN;FUEZUIFLKNOXNT-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63064;MM63064;C#CC=C(C)OCC(N)=O;YNFJDVPUUVIGNP-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63065;MM63065;CCNCC(C#N)NC=N;HYSLYPVHEPHZAL-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63066;MM63066;N#CCCN(C=N)CC#N;ZUSLWRQHEJHJHC-UHFFFAOYSA-N;136.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63067;MM63067;CNC=NC(=COC)CF;ADYGUQXFGPTGBF-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63068;MM63068;C=CCC(CO)N(C)C;XKRZCDJWFGEGHU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63069;MM63069;CC(F)C#CCC(N)CO;FCGXFFGZFIFOPR-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63070;MM63070;C#CC(=COC=C)NC=N;DMFZJCPDDGFJHU-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63071;MM63071;C#CC(CC#CCN)NC;LEJNBRFKXXMEAT-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63072;MM63072;C#CCNCCCOC=O;CUTGJOMDWNYMIZ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63073;MM63073;C=NOCC(=CC=O)NC;XFRLGNHTCZVYMW-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63074;MM63074;C=C(CO)C(=CF)C(C)N;CFUUFHHICYDYTP-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63075;MM63075;NCCOCCO;GIAFURWZWWWBQT-UHFFFAOYSA-N;105.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63076;MM63076;N=CNC=NC=CCCF;FLGAUZUHZRQTCD-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63077;MM63077;NCC#CC=NNCCN;OZIWGYYVAWASLK-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63078;MM63078;CC(N)C(C)F;YTZXMOOHRBVWFE-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63079;MM63079;CN(O)C=NNC(=N)N;NVAPPUVWILXMNX-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63080;MM63080;C=NN(C)C(C=CN)=NO;JHKIYXGBUSXOCK-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63081;MM63081;CN(CC(=O)C#N)C(=N)N;LTNWZFKTOYPNSW-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63082;MM63082;CN=C(NC=O)C(C)C;COWLDDRLXRUDBE-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63083;MM63083;CNN=CNOC(=O)NN;VWCHFUQJIBIXJF-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63084;MM63084;N=CNC=O;SIVOYXYNAPYGQY-UHFFFAOYSA-N;72.07;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63085;MM63085;CCC(N)CF;AZHRYGRHCHZJDC-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63086;MM63086;CNN=CC(C)C(=O)NN;UEEVYWGWVZXKCD-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63087;MM63087;COC(C)OC(=N)N;KMXUZYVOOLBNFP-UHFFFAOYSA-N;118.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63088;MM63088;C=C(C)CONC=N;QQGYMOLJAXRXEZ-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63089;MM63089;C#CCC(O)C=CC(C)O;RUDNLOWIGPEGIL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63090;MM63090;C=NNCC(O)C#CC;VIZAHWYGBXYZBA-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63091;MM63091;CN(C)CCC=NN;BABASBLMYRXZNJ-UHFFFAOYSA-N;115.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63092;MM63092;NC(C=CF)C=CF;VYMWWWJNRCQVEL-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63093;MM63093;C#CC(O)CNN=CC=C;BNCZCJZKPKEDRV-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63094;MM63094;CN(C=N)N(C)C=O;KVNSSTLUCNMQCZ-UHFFFAOYSA-N;115.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63095;MM63095;C#CC(=CC)CNC;GZKSUYOKMVHDPK-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63096;MM63096;C=C(C)C(C)CNNC=O;PQKLRAWEQIUCES-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63097;MM63097;CC#CC(=CC)CN;NZHITODSXYJHLU-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63098;MM63098;C#CC(=CC=C)CN;NQFCORITXFFQPP-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63099;MM63099;C=C(C)C(O)C=NN;RUHJVMFBZRASPN-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63100;MM63100;CC=CCONC=N;QORZYSPHUQIWMN-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63101;MM63101;CCCC(O)C=CC(N)=O;JCGGHRVKEQWVNU-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63102;MM63102;CC(=O)CC#CCN=CN;DXYNRFYTLKLZPT-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63103;MM63103;CC=CN=CNC=N;XRZWJRCQWAZFQA-UHFFFAOYSA-N;111.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63104;MM63104;C#CC(O)CC(=C)C=NN;HZIRACDTBJKVSQ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63105;MM63105;CC(N)C(C)(F)C(C)N;DDPIPBKIGBMERD-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63106;MM63106;C=CC=NOC(CO)CO;CKELTQJXPFWUOV-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63107;MM63107;CCOC(C)OC(=N)N;UJGRKKNGKVANMO-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63108;MM63108;CC(=O)C=CC(O)CC#N;WQOWYAYIFLFCIO-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63109;MM63109;C=COC(C)OC(=N)N;BYZPPCLPYBRFIL-UHFFFAOYSA-N;130.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63110;MM63110;C=NNC(C#CCO)CC;KGCHCVDZOIGNOJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63111;MM63111;C#CC(C)(CF)NC=N;XBTJREAANZEFJP-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63112;MM63112;C#CC(N)CC(=C)CF;GJAYUQVBHNAFNZ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63113;MM63113;CCC(OC)OC(=N)N;JFGRKIRYIZWZDE-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63114;MM63114;C#CC(=CC(F)F)CN;LWZJOBPVIWZCGG-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63115;MM63115;CC=NOCOC(=N)N;NCOXGHZRHHGAFU-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63116;MM63116;CCC(CO)COCCN;SSEOXCAKUGLFCC-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63117;MM63117;C=CCN(O)C=NC(C)=O;CAKZKXXPMSBIKY-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63118;MM63118;CN(CCO)C(=N)CC#N;ZMPCCHFVXLCZNB-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63119;MM63119;N#CCN(O)C=NC(N)=O;XHSONWMSKCNIMB-UHFFFAOYSA-N;142.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63120;MM63120;CNN=CCCN(C)C;YUBQJFUWJGUWQD-UHFFFAOYSA-N;129.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16535;MM16535;C#CCC(O)C=CC(=O)O;AGFACGFYRCOLIV-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63121;MM63121;C#CCC(N)COC=O;TXLUQBOWSRARSR-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63122;MM63122;CC(O)CC(C)OCCN;KMPCLSJONGLZQR-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63123;MM63123;CC(O)CCCOCCN;QRZFSANTGYRAPH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63124;MM63124;CC=NNCC(C)NC;DTIFWBIAPMGJRP-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63125;MM63125;CC(=CF)CONC=N;UFODSLRGEBSYSF-UHFFFAOYSA-N;132.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63126;MM63126;CN(C)C(CCO)=NN;YCMLGYNCVJBGED-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63127;MM63127;C#CCC#CC(=C)CN;JODZZBTXMNJXOA-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63128;MM63128;C#CC(CC#N)CNC;XFNZNEIVUMUFGE-UHFFFAOYSA-N;122.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63129;MM63129;C#CC=C(NC=N)OC;AAGFOXFIQVGQRK-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63130;MM63130;CC(O)C=CC(=O)CC#N;LHWSJQYTVWBUKD-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63131;MM63131;CC(O)C=NN;SMYILXNKIYXGRX-UHFFFAOYSA-N;88.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63132;MM63132;C=C(C=CC(C)O)NC=O;WDRFYEYESUJYGD-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63133;MM63133;CC(C)(CCO)OCCN;JJSNZWCBSIVUSV-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63134;MM63134;C=COC=CC(N)CCO;NVMYTVGGHMUCEA-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63135;MM63135;CNN=CC(C)(CO)CO;GVGVVDBMTCZSKO-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63136;MM63136;CC(CO)OC=CC=NN;FFVPKBMCSHOZHB-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63137;MM63137;C#CC(CN)=C(C)CF;IFRVCVJPPUDXMM-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63138;MM63138;C=CNC(=O)C=CN(C)C;GAUYDSXKLUANLU-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63139;MM63139;C=NN(C)C(C#CC)CO;IDIIZMMGRNETFV-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63140;MM63140;C#CC(CCOC)NC;YHBZJJPKQQRRAN-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63141;MM63141;N=CNOCC=CCF;YEVZDBVODZFPHM-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63142;MM63142;NCCOCCC=CCO;MXRDTLUDQHSGFQ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63143;MM63143;COC=CCONC=N;MLRMBUWNMANNNM-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63144;MM63144;N#CC=CCONC=N;LATCDUMOSJOTCF-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63145;MM63145;CNCCC(C#N)CC=O;DOQVAGBPKSVFQV-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63146;MM63146;C=CCC(=O)N=CN(C)O;QHHKGRDWOMIYRA-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63147;MM63147;NCC#CCC#CCN;WOXMYUMPNWFNOI-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63148;MM63148;CN=C(NC=N)NOC;GRRSXRAFGXOVTG-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63149;MM63149;CCC=NNC(=N)NN;YMSFQIMRAHUMJA-UHFFFAOYSA-N;129.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63150;MM63150;CC(O)COC=CC=NN;DQMDUYHGJAHFHZ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63151;MM63151;CCCN(C)N=CCO;HRWOLLWQQGKPEE-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63152;MM63152;C#CC(CO)C(=C)C=NN;DXAXFTIXMIRCLE-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63153;MM63153;CC(C)(C)C(N)C#CCN;IPTXWMVMUZMDLC-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63154;MM63154;CC(OCC#N)OC(=N)N;KCMIXMYFMOAXOL-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63155;MM63155;C#CCOC(C)OC(=N)N;CUAAYGNJIOGKRF-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63156;MM63156;CC(OC=CF)OC(=N)N;AOTRXTXECGOTQT-UHFFFAOYSA-N;148.14;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63157;MM63157;COC=CC(C=NN)CO;MSRPSLZMZSTXKY-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63158;MM63158;C#CC(C)(N)C(=NC)NC;KBDCZCXLTCSCKJ-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63159;MM63159;CC(N)=NC=NC(C)C=O;FWRHQQHFVHPKKO-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63160;MM63160;C#CC(=N)N(CCO)N=C;PWDIUQAUPQIGDR-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63161;MM63161;COCC(=O)C=CC(C)=O;IWAKJMWJGJXVNY-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63162;MM63162;NN=CC=COCCCO;YRMVCIRLXINPSR-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63163;MM63163;CCC=NN(C)C(=N)NN;ZTKKMLXTQNXSDL-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63164;MM63164;C#CC(C)(F)CONC=N;SFWWPBOCFXSMJY-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63165;MM63165;C=C(C)C=CC(=O)NC=O;MEQGQHFHISBAAQ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63166;MM63166;C=CNC(=O)C=CC(C)=O;QHSKFIQPQOLOIR-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-(ethenylamino)-4-oxobut-2-enoic Acid";MM03441;C=CNC(=O)C=CC(=O)O;YQMCZBOOPWMKRU-UHFFFAOYSA-N;141.13;-0.11;118024322;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16312;MM16312;C#CCC(=O)C=CC(=O)O;AZBWHCMDVNJJIG-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63167;MM63167;C#CCC#CC(C)(N)CN;RPIJZEKTQYGHRO-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63168;MM63168;CC(C)=NNCC=O;VEBPAYJYHXKEJX-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63169;MM63169;C=NOC(C)CC=O;GSYCNBSLGYATCQ-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63170;MM63170;CC(C#N)(CCF)NC=N;ZPGAFUHZPKEQRA-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63171;MM63171;CC(C=NO)C=NN(C)C;XREIIIOESIDFAB-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63172;MM63172;C#CCC(N)COC(C)=O;LTENIMPUOLRYIS-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63173;MM63173;CC(C=O)N=C(N)CCF;IUDNTBRVWNWVEJ-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63174;MM63174;CC(C=O)N=CN;NFIFNICMTUMFDT-UHFFFAOYSA-N;100.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63175;MM63175;C=C(NC(C)=N)C(=O)C=O;DLDKCCQPBBCONS-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63176;MM63176;CNN=C(CC=NN)OC;OOYRCPSLUIGKDO-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63177;MM63177;C=CCC(OC)OC(=N)N;UZFYGMVRPCDILR-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63178;MM63178;COC(OC(=N)N)C(C)C;LUZSZPNWMSKHOG-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63179;MM63179;CNC(C#N)C(C)=NOC;UKHDMFTWFOXQIT-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63180;MM63180;C=NOC(C)(C)C(C)=O;NPCUFHGWXJIFQV-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63181;MM63181;CCC=NOCOC(=N)N;CGVAFFRKMFRMGD-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63182;MM63182;C=CC(=C)C(C#N)C(=N)N;XCVBTXBTYFOVPN-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63183;MM63183;COCCC(=NN)N(C)C;JNJWHGDHJOBUAN-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63184;MM63184;C#CC=NOCOC(=N)N;NSSRGPXJMZYTGT-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63185;MM63185;C#CC(=O)ONC(=N)NC;ITZAWRXXHXDXOI-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63186;MM63186;CN(C=N)NC(=N)C=NN;VNNBSNJHAWLOJS-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63187;MM63187;CC(=CC#N)CONC=N;NKKXAKZBYYRWIU-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63188;MM63188;C=NNC(=N)C#CCCN;BZHURVVSJLCAAI-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63189;MM63189;CCNC(COC)COC;YVNIYVBHXPGOET-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63190;MM63190;CC(=O)C=CC(=O)C=CN;PYUURPUPZRRHHH-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63191;MM63191;C=NNC(C)=NNCC#N;VOTJNEOWZWWYJQ-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63192;MM63192;C#CC=C(C=NN)CNC;LKSLYEYPPKAVTB-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63193;MM63193;CCCN(C=NC)N(C)C;DLMMHTKFOLJFQU-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63194;MM63194;C=NN(CC)CC(C)NC;RJJUSCCXYDXOKR-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63195;MM63195;CNN=C(C)CC(C)=O;ZUVLWZWNWRTKAB-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63196;MM63196;C#CC(C)=CCONC=N;MFSPLURPMUHGCG-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63197;MM63197;CC(=O)CC(C)=NN(C)C;MCVDLYREANBDSX-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63198;MM63198;COCC(C)(C#N)C(=N)N;KUQFMYRKJDPOLL-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63199;MM63199;CNC(=N)C(C=O)=COC;PEFKUQULYJJYDR-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63200;MM63200;C#CC(CNC)=C(C)CF;WGMWYKVRSWNYFR-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63201;MM63201;C=NOCCNN=COC;NXWUUBPXFUUVIJ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63202;MM63202;CCON=C(C#N)NNC;HXRNJERBDAZISC-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63203;MM63203;C#CC(=CF)C(=N)NN=C;NAQDETQAKWISPW-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63204;MM63204;C#CC(C#CC=O)CNC;WLCJXSRRDGKWBB-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63205;MM63205;C#CC(=CCC#N)CNC;SICLNUZIUPFTCK-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63206;MM63206;CN(N)C(=O)NC=NC=N;CRJGHAXWIRABSC-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63207;MM63207;CC=C(C)N(OC)C(C)=N;DUQMMPPBYWZZHI-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63208;MM63208;C=NN=CC(=O)NC(C)=N;GBRFLKAASZJUBM-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63209;MM63209;C=C(C)CC(=N)NC(C)=O;ZOVLTNTUOYBIMG-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63210;MM63210;C=NN=CC(CN)=C(C)F;MQDRBUFROHIROY-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63211;MM63211;C=CNC(=N)N(C=O)NC;JDMXSFGZSNVPPR-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63212;MM63212;C#CC(=O)NC(=NO)NC;DQEJXBFIADLLIN-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63213;MM63213;C#CC(=NO)N(C)C;RWMJVACKPRZLIE-UHFFFAOYSA-N;112.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63214;MM63214;COCC(F)C#CC(C)O;WUZRRBGSWXUGGX-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63215;MM63215;C#CC=C(C)C(C=C)NC;ZQSYZLAJAAICFE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63216;MM63216;CC(C)ONC=N;URVKOEMNUDWRRC-UHFFFAOYSA-N;102.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63217;MM63217;O=CCC(O)C#CC(F)F;GQVQBLIHURDDSS-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63218;MM63218;CC(O)C#CC(F)CC#N;CODGBOPYVCNQIP-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63219;MM63219;CC#CC(N)CC;ZWPGLYYSSDGBNQ-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63220;MM63220;CN(C=N)NC=NNC=O;APHOIHCCXGDRAA-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63221;MM63221;C#CCC(O)C#CC(C)O;VQVCSNOARPIQFV-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63222;MM63222;CC(C)(N)C(F)CN;UALUEUIVAGGBGD-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63223;MM63223;CNC(=O)NC(=N)NN;ORQDGEBIQDAPBT-UHFFFAOYSA-N;131.14;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63224;MM63224;C=C(C)C#CC(O)CCO;NCPJUKXNBYHHER-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63225;MM63225;CCCNNC(=O)NC;BUBDLOOBQQZSMX-UHFFFAOYSA-N;131.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63226;MM63226;CC(=O)C#CC(F)CCO;VDGOVVOKZHPLLM-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63227;MM63227;N=CNC(=N)NC=O;PMGLEPZMFMNYGY-UHFFFAOYSA-N;114.11;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63228;MM63228;CC(=CF)C(C#N)C(=N)N;IDBILQVQXAYULF-UHFFFAOYSA-N;141.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63229;MM63229;COCC(C)C#CC(N)=O;GRKOHZMLUUOZCM-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63230;MM63230;CC(C#CC(N)=O)CC=O;OPVBTJXKKKZUGX-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63231;MM63231;CC(C#CC(N)=O)CC#N;ZGOBZLNJSVISMI-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63232;MM63232;C=C(C)C#CC(O)CC=O;RANAURRQSKRINS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16317;MM16317;C=CCC(O)C#CC(=O)O;DECDGXDTISCUAZ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63233;MM63233;N#CCC(O)C#CC(=O)O;VUWUQJBTCSMAJR-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63234;MM63234;C=C(C)C#CC(C)NC=O;DNSKDHDPHVKYDR-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63235;MM63235;C=COC(C)C#CC(N)=O;JZEQUURVCNFHEC-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63236;MM63236;C=CCC(N)C(C)F;RYETWMUFLJKQIP-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63237;MM63237;C=CC(C)(C)C(=O)NNC;GDJNRIPCFJRZMC-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63238;MM63238;C#CCC(O)C#CC(C)=O;LNSJGNOCZROLNM-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16264;MM16264;C#CCC(O)C#CC(=O)O;YFSGEHMLSRAOHR-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63239;MM63239;C=CC(C)C(N)CF;YATLQYIIGBYESG-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63240;MM63240;CC#CC(O)(CC)C(C)N;YWGBXTYZYHZGOO-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63241;MM63241;C=C(C#CC(C)O)CCO;QVUMTVRPYQAZDP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63242;MM63242;CC(O)C#CC(=O)CCF;CKTPNRTYMBDXSS-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63243;MM63243;CC(F)C#CC(=O)CCO;QDGCCPADWBVBHC-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63244;MM63244;C=NOC(C)(C)C(O)CO;AERDHDPSBHXNLE-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63245;MM63245;C#CC(C)(O)CNN=CC;ZXRQBSMSSSVTBV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63246;MM63246;COCC(=O)C#CC(C)O;FMMUROGEZUPNKE-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63247;MM63247;C#CC(N)CC=CF;XHSCGMZZKJJQKZ-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63248;MM63248;C=C(C#CC(C)O)CC=O;WAUXZLDABTWZMD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63249;MM63249;C=CCC(=O)C#CC(C)O;ILJGGVVFJFDGHL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63250;MM63250;CC(O)C#CC(=O)CC=O;FIANAEJZFFLLNS-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02103;MM02103;CC(F)C#CC(=O)CC=O;IZVAOHNBQUTARY-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63251;MM63251;C#CC(=CCF)CN;FDWBJBSWWCZPHL-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63252;MM63252;C=C(OC)N(O)C=NC=N;UWAUFQFHCYURJE-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63253;MM63253;CCNC(C)(C)C(O)C=O;MLCWAWIVHLDJCH-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63254;MM63254;C=C(C#CC(C)O)NC=O;CGTZCTUPOCEUOO-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63255;MM63255;CC(C)C#CC(=N)NC=O;GNQZZHPDEDCJLZ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63256;MM63256;C#CC(C#C)OC(=N)N;PWYQCNZOAQUNOS-UHFFFAOYSA-N;122.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63257;MM63257;CCCC(NC)C(O)C=O;NNYNXKIWRBATRW-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63258;MM63258;CC#CC(C)(F)C(O)CN;JEWUTXKIRZHHOK-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63259;MM63259;N=C(C#CC(F)F)NC=O;FFEVZZCQUGJKHB-UHFFFAOYSA-N;146.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63260;MM63260;C#CC(O)C(C)(C=C)CN;ZJNONDJRYZXTEV-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63261;MM63261;C=CNC(=O)C#CC(C)O;VUTHCNVHBNAMTM-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63262;MM63262;C=NOC(C)(CO)CCO;BMWOZAUYYYHXIJ-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63263;MM63263;C=C(OC(C)C)C(O)CN;RZMRZQMVZNEEPD-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63264;MM63264;C=NOC(C=NN)C(C)O;HCAKAVFWCIGNIJ-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63265;MM63265;C=C(C)C(C=NN)C(N)=O;TZMUDZPSSOZHLO-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63266;MM63266;C=NNC(=O)C#CC(C)O;HYNWTVUIMLCATK-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63267;MM63267;CC(CCF)ONC=N;SVWTVDWTLUZQOB-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63268;MM63268;C=C(OCCC)C(O)CN;QXBAORBHMGBFJP-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63269;MM63269;C#CCC(=O)C#CC(C)O;SMZHQXNIPBOXMQ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63270;MM63270;C=C(C#CC(N)=O)CCF;LNNRWRUGOVNYKV-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63271;MM63271;C=C(C)C#CC(=O)CCO;HTJUIEUBLWWKNJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63272;MM63272;CC(=O)C#CC(=O)CCF;RFWNQTKJGROQMK-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63273;MM63273;CCCC(=O)C#CC(N)=O;AIFBJWOZTSGSQC-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16139;MM16139;O=C(O)C#CC(=O)CCF;PIKJLGOVPGDGGH-UHFFFAOYSA-N;144.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63274;MM63274;CCNN=CC(C)(C)O;HQTQMFZVPDYQBT-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63275;MM63275;C=NNCC(O)C=CC=O;HNWMEEAXPGXUBZ-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63276;MM63276;C=C(C#CC(N)=O)COC;ADWQKALABNNHIB-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63277;MM63277;COCC(=O)C#CC(C)=O;RYSPTQDIWLNNFR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63278;MM63278;CCNC(=O)C#CC(=O)O;QQMXODZQFCJCIP-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63279;MM63279;C#CC(N)C(C)C(C)F;UMPHNDFQTHECHB-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63280;MM63280;CCNN=C(CC#N)NO;PQTLJVPUQGYVJT-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63281;MM63281;C=C(C)C(C)C(N)CF;NEJNSSJYEIAOCC-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02222;MM02222;CC(=O)C#CC(=O)CC#N;SDBDTKQDYYANRV-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16125;MM16125;O=CCC(=O)C#CC(=O)O;WZRVLXIZGXIQKU-UHFFFAOYSA-N;140.09;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16091;MM16091;N#CCC(=O)C#CC(=O)O;IWLTWHBUBWOOOH-UHFFFAOYSA-N;137.09;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63282;MM63282;CNCC=CNC(=O)CF;ULLYPCXUYLUSSN-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16251;MM16251;C=C(C#CC(=O)O)NC=O;MRZIMPWWIALQKP-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63283;MM63283;C=CC(F)CONC=N;CDLQAHWSVPFGKI-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63284;MM63284;C=C(C)C#CC(=N)NC=O;MAENLMXTGGBDST-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63285;MM63285;CNC(=N)N(O)C=CF;ZDJNQFVTLSEQLJ-UHFFFAOYSA-N;133.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63286;MM63286;C#CC(N)CC#CCN;XVLVGGDXYWJMTH-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63287;MM63287;C#CCC(C=NN)CO;VKRBELVDBBROQE-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63288;MM63288;C=C(C)C#CC(=O)NC=O;UPEPIBCYNNDWRF-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63289;MM63289;C=CNC(=O)C#CC(C)=O;SCKCWTADLALCJA-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63290;MM63290;CC(=O)C#CC(=O)NC=O;QOYVHSNMKQWULX-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16152;MM16152;C=CNC(=O)C#CC(=O)O;VOQOUSPAUXXCPP-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63291;MM63291;CNN=CNOC(=O)C#N;ASDUISCMQWUBHF-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63292;MM63292;CC(C#N)(CO)C(=N)N;OFXIVYNSGIEYEV-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63293;MM63293;C=NNC(=O)C#CC(C)=O;FAHHTIHNCAFVEI-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63294;MM63294;C=NNC(=O)C#CC(N)=O;DXBRCIHZRFMSHR-UHFFFAOYSA-N;139.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63295;MM63295;C=COC(=O)C#CC(N)=O;ZBGCYFYAOSQLAZ-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-ethenoxy-4-oxobut-2-ynoic Acid";MM03108;C=COC(=O)C#CC(=O)O;POLDOEWRNRHJGI-UHFFFAOYSA-N;140.09;-0.24;141191443;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63296;MM63296;C=CC#CCN(O)C(=N)N;PGTZJDOOOLPRDD-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16120;MM16120;C=NOC(=O)C#CC(=O)O;LQHQBCOYVONEOI-UHFFFAOYSA-N;141.08;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16129;MM16129;C#CCC(=O)C#CC(=O)O;DHTQITASYGMAGL-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63297;MM63297;CC=NN(C)C(C)=NNC;QDJQDZSVOGAAFJ-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63298;MM63298;C=CN(N=C)C(C)=NN;FJGGAIOAJXUREG-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63299;MM63299;CN=C(C=NN)NOC=O;XLPRVYLOBWTREA-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63300;MM63300;CC(C)C#CC(O)C=NO;MDOWEQOUQBNUBW-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63301;MM63301;NN=CC(O)C#CC(F)F;CNKKUPNSMOXHAO-UHFFFAOYSA-N;148.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63302;MM63302;CC(=O)C#CC(O)C=CF;QVTUGAYUVSXOLI-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63303;MM63303;C=NNC(=N)C#CC=NN;MVOLDAYMHGKRPQ-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16273;MM16273;NN=CC(F)C#CC(=O)O;ZZDYBGZJSNRDKN-UHFFFAOYSA-N;144.11;-0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63304;MM63304;CCCC(=O)N(C)N=CN;JDOJMCRFJBHSCI-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63305;MM63305;CC(=O)C#CC(=O)C=CN;ZGMDIGLYZZVTOT-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63306;MM63306;C=CN(C)C(=O)NC=NC;XKGQDEMVWOFEIP-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63307;MM63307;CNCC(=CF)COC;NWZNHTZGQNSQLS-UHFFFAOYSA-N;133.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63308;MM63308;CCC(O)C=CC(=N)NO;WAKNHYIOXSXZSI-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63309;MM63309;CC#CC(O)C#CC(C)O;BLKPQAJKDVKRBF-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63310;MM63310;CCC(=N)N(O)CC;CCYIMMWBLGLYAD-UHFFFAOYSA-N;116.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63311;MM63311;CC#CC(O)C#CC(N)=O;DKHOXEXRZBDAFB-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16234;MM16234;CC#CC(O)C#CC(=O)O;GOVVKRWUFVGFBG-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63312;MM63312;CC#CC(=O)C#CC(C)O;UASLHFBTVRSOIX-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63313;MM63313;C#CC(CNC)=C(C)C;OQIDFHIAHXGLSW-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63314;MM63314;C=CC(CC)C(N)CF;HZGXJBNNZKRXTK-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63315;MM63315;N#CC#CCNC(=N)NO;UXPYPUMKYDXMJM-UHFFFAOYSA-N;138.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63316;MM63316;CC(C#CC(C)O)=CCO;PGIAUQDWLCMPCM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63317;MM63317;C#CC(N)C(C=C)C=C;WSLLLOLAXOIWDO-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63318;MM63318;CNC(=N)C(=NN)N(C)O;OYSFTYUCQAZUAK-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63319;MM63319;C#CC(C=C)C(=N)NN;WCMFSRCFCFRIFX-UHFFFAOYSA-N;123.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63320;MM63320;C=C(C)C(NC)C(C)O;QTZJGYBOQGFXOV-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63321;MM63321;CC(=O)C#CC(C)=CCO;NEQCFLOBRKIMSN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63322;MM63322;CC(C#CC(N)=O)=CCF;FUXGMPUTCAZKGU-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16307;MM16307;CC(C#CC(=O)O)=CCO;IPGCWFGRDNWSPQ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63323;MM63323;CC(=O)C#CC(F)=CCO;NQWMJVHHMJABIF-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16219;MM16219;O=C(O)C#CC(F)=CCO;AGCSBYXVGCVBRS-UHFFFAOYSA-N;144.1;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63324;MM63324;CON=CC(=CF)CN;ZKRHRDAFUXTPEZ-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16247;MM16247;CON=C(C)C#CC(=O)O;YGMHOVRJWMXXKV-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63325;MM63325;CC(C#CC(N)=O)=CC#N;YOYSHDFIYYCLFP-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63326;MM63326;CC(=O)C#CC(N)=CC=O;MCGMBFFTYXAKIT-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63327;MM63327;C#CC#CCC(N)C(C)O;JVJMDVAORFZPKE-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63328;MM63328;N#CC=C(N)C#CC(=O)O;XAJWJEAHPFPYIZ-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63329;MM63329;N#CC=C(F)C#CC(N)=O;RRUVSNSLENDPRG-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63330;MM63330;CN(C)C(=O)C(C)(C)CN;MJLJKQYYSHZTKH-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63331;MM63331;C=NOC(=N)NN(C)C=N;WKBWCIVVURBMAT-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63332;MM63332;C=C(CNC)CC(=O)OC;GHAUGAPRGSIFPH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63333;MM63333;C=CCC(F)CONC=N;NUYRXJOVDPMSRT-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63334;MM63334;CCCC(N)C(=N)NC=N;KREPISGLDJNFJY-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63335;MM63335;C#CC(C=NNC=O)=CN;OCKKPXLPZWMRAD-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63336;MM63336;CCC(CN)N(C)C(C)=O;SAXYMNCPCMTOSE-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63337;MM63337;CC(C=CF)CNNC=O;DJOYUXVYUJOQNI-UHFFFAOYSA-N;146.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63338;MM63338;CC(C)=CCC(=O)CCO;YJLJAEZEZBWPRG-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63339;MM63339;CCC(O)CNCCC=O;ISWJYRVHOHLDMW-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63340;MM63340;C#CC(C=C)(OC)C(=N)N;HSDKSITYVSDCKP-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63341;MM63341;C=C(C=NN)CC(=N)NO;SMTMGQPJSRUQDH-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63342;MM63342;CC(C)=CNC(=O)CCF;RFAUUEBKHIFKKK-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63343;MM63343;O=C(CCO)NC=C(F)F;GOXBXIGHQZAEOE-UHFFFAOYSA-N;151.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63344;MM63344;CONC(=O)NC=C(C)C;BKBZQWXTAWRJIR-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63345;MM63345;CONC(=O)NN=C(C)C;GAMWPYJQLGREIN-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63346;MM63346;C#CC(O)CN(C)N=C;VASBDZDBEPTILN-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63347;MM63347;C=COCC(C)C(=N)NO;JYFXACCONFDUDV-UHFFFAOYSA-N;144.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63348;MM63348;C=CC(=C)C(=N)NO;MNVFVCKSVLHEDM-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63349;MM63349;C=CNC(=O)N(C=C)NC;HAPRUDCLOIELNI-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63350;MM63350;COC(C)C=CC(=N)NO;KTOMEGAFLXAKSV-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63351;MM63351;CN=CN(O)C(C#N)=CF;YARMSBKAZAINKI-UHFFFAOYSA-N;143.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63352;MM63352;CCOC(=N)N(O)CC#N;XDQYOXQIAVVERS-UHFFFAOYSA-N;143.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63353;MM63353;CCCC(CN)(CO)CF;POBZVVMMVPTQBR-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63354;MM63354;C=CNC(=O)NN=C(C)C;CFADXIOYNNVWIW-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63355;MM63355;C=CNC(=O)N(C)C=NC;LQMBBXBTPUJISM-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63356;MM63356;CC(C)=NNC(=O)NC=O;DRZVQGBCQZLYMA-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15401;MM15401;C=NNC(=O)NN=C(C)C;CPNRYTNZTHNPJN-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63357;MM63357;CNN=CC(C)C(N)=O;VSUKTHSKQFZHIU-UHFFFAOYSA-N;129.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63358;MM63358;C=NOC(=O)NN=C(C)C;TWKKVXRWJUTGPF-UHFFFAOYSA-N;143.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63359;MM63359;C=CNC(=O)ON=C(C)C;RGOFCFZRPVLXGR-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63360;MM63360;CN(C)CC(C)(C)O;XTYRIICDYQTTTC-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63361;MM63361;C=NNC(=O)ON=C(C)C;NEBBNAUDRCJWRS-UHFFFAOYSA-N;143.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63362;MM63362;CC(CCC#N)ONC=N;QCOQVUGDGQXINF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63363;MM63363;CC(C)=NNC(C)C=NO;NLMDFGJOLLEGMU-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63364;MM63364;C=NNC(C)(C)C#CCO;LXVNABPPEWYBDT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63365;MM63365;CC(C)=NNC(=O)C=NN;MWRLZNNQHMKOSM-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63366;MM63366;CC(C)=NNC(=O)C=NO;CNNMODYYJLSPFE-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63367;MM63367;CNN=CC(C)(C)O;WTKBWVFYDQYBPR-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63368;MM63368;CC(C)=NOC(=O)C=NO;VIKGZQIEIZZOMO-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63369;MM63369;C=NN=CC(N)CNCC;FSUVKVMOHZYWLB-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63370;MM63370;C=CCNCC(C)(C)O;LLTCGYSAJMFIGW-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63371;MM63371;C=COC(CO)CON=C;LWALFGIOJMYDLE-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63372;MM63372;CC#CC(=NC=N)N(C)O;LBNXQAIRPOVFJM-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63373;MM63373;C=CC(C)C(C)ONC=N;XLSYWFOPMKNKIG-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63374;MM63374;C=CCCN=CN(C)NC;RWWPRQCKLLEGDV-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63375;MM63375;C=CCC(=O)CON=C;HBMIHHXJUGMCRN-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63376;MM63376;CC#CCC(CO)NC;QGFLFIXQQZAHDL-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63377;MM63377;CC(=CCC(N)=O)CCF;GSLXCYNGXSWJKR-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63378;MM63378;C=C(C)CNCC(C)O;UQMXKJYWSBDFHB-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63379;MM63379;CN=C(NC)NN=CNO;DRRHWQKSAGHYQH-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63380;MM63380;COCC(C)=CCC(N)=O;DZBGIVLQTOSNBV-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63381;MM63381;COC(C)C=CN=CNN;VGIGHKBTJJBYAQ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63382;MM63382;CC(=CNC(N)=O)CCF;AFYXGEZMWMJTRV-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63383;MM63383;CC(=O)NC=C(F)CCO;SOHRPZOAOHCXKZ-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63384;MM63384;C=COC(C=O)C(N)=NC;ZVEPSLYVNHVIIW-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63385;MM63385;C=CC(=C)C(CCO)NC;HSPUCYFXWGRGHU-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63386;MM63386;CCNC(C#CCF)CN;JPFYHOZTSBVHAM-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63387;MM63387;CCOC(C)=CNC(N)=O;MNQKTYNVYDKMNA-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63388;MM63388;CC(=O)NN=C(C)CCO;FEGZVGBBWLZXFA-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63389;MM63389;COCC(C)=NNC(C)=O;IYZCVTMEGHUYBX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63390;MM63390;C=CC(N)C(C=C)N(C)C;NAVJRBPGKJQRSQ-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63391;MM63391;C#CCC#CC(CN)NC;UOMZUZOIMGXTRU-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63392;MM63392;CN(C)CCCF;STIOOXPZKGSYMN-UHFFFAOYSA-N;105.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63393;MM63393;COCOC(=N)N;SUSOOUUCIZQQTQ-UHFFFAOYSA-N;104.11;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63394;MM63394;CC(=CCC(N)=O)CC=O;FTWOMZUFSPXRLI-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63395;MM63395;C#CC(CCO)NN=CC;FIWNVZZBHOHVSL-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63396;MM63396;CC(=O)CC=C(C)NC=O;PKRKCJWWFIWBQO-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63397;MM63397;CC(=CCC(=O)O)NC=O;HINLNURRWCLRSC-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63398;MM63398;C=CC(CC(N)=O)ON=C;YMJQOAXPMBRBOK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63399;MM63399;CCON(C=NC)C(=N)N;DQGRFMXOIPKYCM-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63400;MM63400;C=COC(C)=CNC(N)=O;ZLHXKTSDVUYMIN-UHFFFAOYSA-N;142.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63401;MM63401;C#CC(N)CC=C;FFUUBERAOZUIKL-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63402;MM63402;CNN=C(C)C=CC(N)=O;SYSOQFPPBTYPCW-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63403;MM63403;C=CC(CC=O)ON=C;CRDMBSKDOJUTMO-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63404;MM63404;C=NOCC(=O)C(C)=CN;HGTMXUPLZWDKMY-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63405;MM63405;CC(CC#N)=NNC(N)=O;DYOFPHOXCVSJFL-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63406;MM63406;C#CC(=C)CNC;HBJJAYJHVNQBHL-UHFFFAOYSA-N;95.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63407;MM63407;C=NOCC(=O)C=C(C)N;NYIGQJCQANRUNJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63408;MM63408;C=C(C#CC)CN;MYBLVUILKRSQMG-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63409;MM63409;C=NNCCNN=CC=O;MIOZPJPKXJLZEO-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63410;MM63410;C#CC(=CC)CN;UBFDPLYBDNZSBV-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63411;MM63411;CC#CC(C)(N)CN;NGMFGCOWUAGYKJ-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63412;MM63412;C#CCC(C)=CNC(N)=O;RYCOMHRCHUGREL-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63413;MM63413;C=NNC=NN;QPFJIBJEVOHLLA-UHFFFAOYSA-N;86.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63414;MM63414;CCCON(C=N)C(=N)N;LPLYITDSMYDCMN-UHFFFAOYSA-N;144.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63415;MM63415;C#CCC(C)=NNC(N)=O;SWFVWOVERYNLCZ-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63416;MM63416;C=COCOC(=N)N;MFHFKEMNAQHUPB-UHFFFAOYSA-N;116.12;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63417;MM63417;C=CC=NNC=NN;WSXJRFHRPQOAHT-UHFFFAOYSA-N;112.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63418;MM63418;C=NN(C=NN)C(C)C;KXHFYLSDMAHKJB-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63419;MM63419;C#CC(N)C(C)CF;UTFPWKCRSWWTFF-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63420;MM63420;CCCC(C#N)NCC=O;FBSFXEUNZQLWHA-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63421;MM63421;CC(=O)ON=C(C)C=NO;OKTNPPASEMBYSU-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63422;MM63422;CC#CC(F)=CCC(C)O;GEVYBXWNXCBIRH-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63423;MM63423;C=C(C=O)CNCC;JYZMBLUPWLQNEA-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63424;MM63424;CC(C)=NN=C(C)CCO;FLUXTYZZEREBEY-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63425;MM63425;CCN=CN(N)CC;ZRLDEOUCSCPLJR-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63426;MM63426;CON(C=N)C(=N)N;XSDIOLLOIYADDD-UHFFFAOYSA-N;116.12;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63427;MM63427;CN(N)C(N=CNN)=NN;HQVYQWGCJZWBTK-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63428;MM63428;C=CN=CNC(=NN)NC;CJDLOSDLNDEJNZ-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63429;MM63429;C=CC=NNC(=N)C=NN;YRINMDXMTWEBDB-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63430;MM63430;CC(=N)NC(C)=NN;GSPBUGGWSVCLPG-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63431;MM63431;CC(C)=NN=C(C)C=NO;WFVZGMAWPLTQLO-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63432;MM63432;C=C(C)OCOC(=N)N;AVKVYDRWQGYSEB-UHFFFAOYSA-N;130.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63433;MM63433;C=CC(C)(N)COC=O;NDHZOEKTFXOUNQ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63434;MM63434;CC(=O)N(C)C(C)C(C)O;SFYJVVBIHSGMDJ-UHFFFAOYSA-N;145.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63435;MM63435;C=CC(C)(COC)NC;RPARFOSBLHUCSH-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63436;MM63436;CC(=O)N(O)C(C)C(C)C;AUIROBWTSYWQDQ-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63437;MM63437;CC(=O)N(C)C(C)CN;VGKALEAZLUTZMM-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63438;MM63438;COC(C)CONC=N;HMCCDLWORCAOLJ-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63439;MM63439;C=NN=CCN(N)C=N;BCTKNOBNPDIFGV-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63440;MM63440;CC=CN(C=O)C(=N)N;KUSKLCHHSCBKGU-UHFFFAOYSA-N;127.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63441;MM63441;CC(O)C(=O)N(C)C(C)C;QREKHBTWAVOAJN-UHFFFAOYSA-N;145.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63442;MM63442;NCC#CC(=CF)CN;SBCGTEBWTILYDS-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63443;MM63443;C#CC(C=NOC)=NN;MJHQVZTXWRDQRK-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63444;MM63444;C#CC(=CCCF)CN;VVWVFCJBPBYBER-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63445;MM63445;CC(C)N(N)C(=O)N(C)O;WRAOBQORGBIMAT-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63446;MM63446;CC=NNC(=N)OCOC;DRPGWGLZSLKIHV-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63447;MM63447;CC(C)N(O)C(=O)N(C)N;XBKSJTOKMOGPMA-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63448;MM63448;CC(C)N(O)C(=O)N(C)O;OUKBIQFAVAVBCB-UHFFFAOYSA-N;148.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63449;MM63449;C=C(C(C)=O)C(C)C(C)O;MDRJISXROGISQO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63450;MM63450;CCOCCONC=N;YTFQDVYYPHPQKI-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63451;MM63451;CC(C#N)(C=O)OC(=N)N;ZLXZQWUCNVLBGO-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63452;MM63452;C=CCC(C)(N)C(F)CN;JDBKFWIOYAQETF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63453;MM63453;C=C(C(C)C)C(O)C(C)=O;MUCGCOHFCWMXMP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63454;MM63454;C#CCC(C)(N)CNN=C;GCMLUPOHAUDAFG-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63455;MM63455;C#CC(C)(N)CNCC=C;OXNDLPJTPCNFDS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63456;MM63456;CNC(C)(COC)COC;ICTFSEJAGGUJFR-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63457;MM63457;CC(N)C#CC(F)C(C)N;QHSYQCVBCSEYOU-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63458;MM63458;CC(C#N)OCOC(=N)N;QJHPZGQJWZICOE-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63459;MM63459;C=CC(=C)OCOC(=N)N;MQOKRWOSJPGQQL-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63460;MM63460;C#CC(=O)OCOC(=N)N;IGWNVWCFGZCTII-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63461;MM63461;C=CCN(C)CC(N)C=C;ZTIHSQXOMJETNO-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63462;MM63462;C=C(C(=O)C(C)=O)C(C)C;REPBBCCYJMNQMX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63463;MM63463;C=C(C)OCCONC=N;DDYGZFNPCBZJPU-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63464;MM63464;C=CCCOCOC(=N)N;URGVXYQMZXWQPJ-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63465;MM63465;C=CC=COCOC(=N)N;BDJGBTWIYUQNDJ-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63466;MM63466;N#CC=COCOC(=N)N;VLHZPJVBNIDMHF-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63467;MM63467;C#CC=COCOC(=N)N;CDXLDQYDRHKSLZ-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63468;MM63468;C=C(NC=N)OC=NOC;ZKXFRGHTJPJPLI-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63469;MM63469;CCNC(C)C(=N)NC=N;WBTVSXFAPSRRNF-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63470;MM63470;CON=C(C)C(N)C(C)C;DDBILDRIAHRZQZ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63471;MM63471;CC(=O)C(=O)C(C)=C(C)F;NJHRHLBFADBAEC-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63472;MM63472;C#CCN(NCC)C(C)=N;CUIHWTYTRPVHGQ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63473;MM63473;C=NNCC=CC(=O)OC;AXTXBFYNAYDYLN-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63474;MM63474;CC(F)CCC(O)C(C)O;JJRUPGVCBNUNNY-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63475;MM63475;CC=CN(CC#N)C(=N)N;GQJCKLPHTDGARO-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63476;MM63476;C#CC(C)N=CN(C)C=N;XPLYMWJITMQYMA-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63477;MM63477;NN=CC=CC=NO;VXKUSGKZSHABRO-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63478;MM63478;C#CC(=N)NC(N)=O;HBYISXKWTTVZSY-UHFFFAOYSA-N;111.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63479;MM63479;COC(C#N)=CN(C)C=N;AWPQHAYEKQEQBZ-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63480;MM63480;N=CN(C=N)N=CC(=N)N;XNZPZPMUXJEINA-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63481;MM63481;COC=CC(N)C=COC;PQGHEQDOKYOVEF-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63482;MM63482;C=CC(=O)CNC=NCC;CEWGBWGWMJTOMM-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63483;MM63483;C=CC(=N)N(C)OCC#N;RVUWBBVVGLPJFT-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63484;MM63484;CON(C)C(=N)CCC#N;JHEAZPYSSMAVSJ-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63485;MM63485;C=NN(C)C(=O)NC=N;YVZCUZMBWIEATB-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63486;MM63486;C#CC(N)C(C)C#CCN;QNTVGCSURRKODL-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63487;MM63487;CN=C(C)NOCC=NN;IUGIZUAQADOXIS-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63488;MM63488;N=C(CC#CC=NO)NN;ALABGLMUJVASPY-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63489;MM63489;CC=NN=CCN(N)C=N;KJILZGOJEZCAGS-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63490;MM63490;CCCN(C=O)C(C)CN;JRXLASQOKDHOPO-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63491;MM63491;CNN=CCC(=O)NC=N;USNYJGRMMUAIKM-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63492;MM63492;CC=CC(NC)C(N)CF;QHFNZIIPLOYLGH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63493;MM63493;C#CC(=NO)N(N)C(=N)N;RJIVGJBJCKJIAB-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63494;MM63494;C=NNCC=NNC(C)=O;BZKDMJGOTFOKDT-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63495;MM63495;C#CCC(C=COC)NC;HFFYUOJKCFDIHD-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63496;MM63496;C#CC(O)CNN=CCC;NPTJQAYQWVINKA-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63497;MM63497;C=CCCN(OC)C(C)=N;HXVHBEOAJMTXQI-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63498;MM63498;C=CCOCCONC=N;WCRXXFIUIOZSOS-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63499;MM63499;CC=COCCONC=N;VTVXJFKPEXCGFB-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63500;MM63500;C#CC(C)N;ZZRMYOZQUCUWFT-UHFFFAOYSA-N;69.11;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63501;MM63501;C#CC(=C)CN;RZDQWQLVXCHNJC-UHFFFAOYSA-N;81.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63502;MM63502;C=C(C)CN(C)C;GKZOJSZSGYEWSA-UHFFFAOYSA-N;99.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63503;MM63503;C=CC(O)(C=NN)CC;YSPZYMGMBDREMQ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63504;MM63504;C=CN=CNC=N;GIQXHKZSBAUJDQ-UHFFFAOYSA-N;97.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63505;MM63505;C=C(CN)CC=NO;BRNGNDQGDNMQMK-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63506;MM63506;CC(C)CONC=N;XDXKHCSNFDEVEC-UHFFFAOYSA-N;116.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63507;MM63507;C=C(C=O)C(C)NC;KTOKBQHKFONHDW-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63508;MM63508;C#CC(=C)N(N)C=N;VNNQHYLEXLUBAM-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63509;MM63509;CNCC(F)C(C)(C)N;VBJPPBJEKGKCTO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63510;MM63510;CCNC(=N)OCC#N;VUQWZKSWWRYSPN-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63511;MM63511;CC(=O)N(O)CCC(C)C;XKFVZYQLFQIMGK-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63512;MM63512;C#CC#CC(N)C(C)N;KWRTXAPTSMHPNA-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63513;MM63513;N=C(NN)NC(N)=O;KVPOANWCFUZXAC-UHFFFAOYSA-N;117.11;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63514;MM63514;C=C(C)CCC(O)C(C)=O;GUHAHBJOIFZDJO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63515;MM63515;C=C(C)CCC(F)C(C)=O;ZPCARWCIFXOHGC-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63516;MM63516;C=C(C)CCC(F)C(N)=O;IMJHDCQGRFOYFP-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63517;MM63517;C=C(C)C(F)CNC(C)=O;HCABVTOONYTWRO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63518;MM63518;CC(CF)CONC=N;RUCZGRXJFCBOOI-UHFFFAOYSA-N;134.15;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63519;MM63519;C=CCCNC(=N)OC;YJNBURJIKMPVCP-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63520;MM63520;CC=CC(=N)N(C)OC;CXHBEWCRSYYBDD-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63521;MM63521;N#CC(=NC=N)N(O)C=N;PJBGPSRCYWALOO-UHFFFAOYSA-N;139.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63522;MM63522;C#CCC(C#N)NC=N;BKIURWIHYZYTKP-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63523;MM63523;C=CC(C)(N)CC(C)=NO;DTLMPUXLLFRXSB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63524;MM63524;CC(=NO)NN(C)C=N;YAPOOOONZBQDAQ-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63525;MM63525;C=C(C)C(C)OCC(N)=O;BAYKRVSPQZVBHB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63526;MM63526;CC(=O)COC(C)C(C)=O;UVUIAVKUXQMOMH-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63527;MM63527;C#CC(CNC)NCC;WPPAIUUMEDFSFH-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63528;MM63528;CNC(=N)C#CC#CCO;PGBYAWJEBADOCA-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63529;MM63529;C=C(C)CCN(O)C(C)=O;DHQUXFTZFXZKOW-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63530;MM63530;C=NNC(CF)C(C)N;JUMORHZMLWXULW-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63531;MM63531;CCC#CC(CN)NC;WUZOLMMEYCRNAI-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63532;MM63532;C=C(C)CON(C)C(N)=O;NFZPXVARYCAXOM-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63533;MM63533;N=CNOCCC=CF;ALLGCWFTHJRKFP-UHFFFAOYSA-N;132.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63534;MM63534;C#CC(C)(N)C(C)(N)C=C;HYZUIFKIOKFDGZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63535;MM63535;C#CC(C)(C=O)OC(=N)N;MBDVATCNXHKODK-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63536;MM63536;C=C(CC=NN)CN(C)C;SFYYABAUIUNYJZ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63537;MM63537;CC=NNCCC#CCO;UAFPXMOXSFYUNB-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63538;MM63538;CC(O)CNC(=O)C(C)C;XMPOJQKDACWHSY-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63539;MM63539;C=NOCC(=O)NC=CC;LJLNKFSCJOVPNN-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63540;MM63540;C=C(OCC(C)O)C(C)O;UWTSIQOVWYKKLM-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63541;MM63541;C=C(F)C#CC(N)C(C)N;XFJWFRDHLCXTIO-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63542;MM63542;CN(C)CC=CC(F)CN;NKRQFVZKKJMEPC-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63543;MM63543;C=C(CCC)N=CNNC;GMGXHDDIMWYIEK-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63544;MM63544;C=NN=COC(=C)NC=N;NVSQGLFQZGRXGO-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63545;MM63545;C#CCC(O)C(=C)C=NN;CHDIFOPTISNNMD-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63546;MM63546;C=CCN=C(NO)OC=O;SGLDQTWNVQMWHM-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63547;MM63547;C=C(C)C(N)COCOC;BDGCNOOHCQWULU-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63548;MM63548;C#CCC(CNC)NN=C;JLLJQZRFRBDARR-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63549;MM63549;C=C(C)CCC(=O)C(C)O;IGVVFVYOEINJJV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63550;MM63550;C=C(CNC(C)=O)C(C)O;HYQRBWORVMLFRQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63551;MM63551;CC(C)C(=O)CNC(N)=O;RTWQTUDEXGPIEX-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63552;MM63552;C=C(C)CNC(=O)C(C)O;SISCAFXMKCUBFK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63553;MM63553;C#CC(=CCNN=C)CO;VQFLPBDUPTZDJU-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(2-methylpropanoyloxy)acetic Acid";MM03544;CC(C)C(=O)OCC(=O)O;NAIQNQWSHGYSBL-UHFFFAOYSA-N;146.14;0.27;22053298;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63554;MM63554;CNN=CCO;YCCHWGMHHWUZJI-UHFFFAOYSA-N;88.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63555;MM63555;CC(C)N(C)N=CCO;JXZYRWDFCWZPRE-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63556;MM63556;C=CC(N)CNC(C)CF;QCZHKOGVSDVRKQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63557;MM63557;C=C(C)CNC(=O)N(C)C;AGOBFWSZRIBVRL-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63558;MM63558;CNC(C#CC(C)C)CN;BBVXHJGDWYZRPL-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63559;MM63559;C=C(CCONC=N)OC;UHLPQRCAEWNSEB-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63560;MM63560;CCC(C)=CN=CNNC;DZTCILKIVYFKEF-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63561;MM63561;C=C(C)C(=O)CCC(C)O;PFFRXWSSLATHRX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63562;MM63562;CC(=O)C(=O)CCC(C)O;LUCDJPABCZMAGK-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63563;MM63563;CNCC(CF)=C(C)C=O;JAPPKXQDVOCDSN-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63564;MM63564;C=CN(C)C(=O)CON=C;YHULLQVSRIXBGB-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63565;MM63565;C=NN=CN=CN(C)O;GZDDCLVXBCSSGV-UHFFFAOYSA-N;128.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63566;MM63566;CC#CCC(C#N)NC=N;UBZPZQOISYQEHJ-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63567;MM63567;C#CC(O)(C(C)C)C(C)N;UHQNBTZUVFQQOQ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63568;MM63568;CNCC=CC(=O)CC#N;XIIWISQZTGQYJE-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16281;MM16281;CC(=O)C(=O)NOC(C)C;WDNGORSPHYNFJU-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63569;MM63569;C=CCCN(C=NC)NC;DSGQIUOASWGVJY-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63570;MM63570;CC(=O)C(=O)OCC(C)C;WFERWTFFEKELDJ-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63571;MM63571;N=C(N)C(C#CC=O)=CF;QQXUJOKSNXSDCZ-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63572;MM63572;C=C(C)C(=O)CCC(C)=O;FXXXYZSMIIVJDG-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63573;MM63573;C=C(C)C(=O)CCC(=O)O;XBFKVCPEZFOJBQ-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63574;MM63574;C=C(C)CCC(=O)C(C)=O;ANANLWBDPHUULS-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63575;MM63575;C=C(F)CCC(=O)C(C)=O;NUELHLWJLXVXAJ-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63576;MM63576;C#CC(C=C)N=CNC=N;ZGIIJTKZNBRNQA-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63577;MM63577;C=C(C)CCC(=O)C(N)=O;QGUKVKPITDSHNN-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63578;MM63578;NCC#CCNCCCF;OZIXVNNEWVQXHU-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63579;MM63579;C=NNCC(C)OC(N)=O;GSAHPIIFBBKETP-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63580;MM63580;C=C(C)OCC(=O)C(C)=O;SFWLLSBDLYLOBO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63581;MM63581;C#CC(O)(CC=C)C(C)N;NJXAYJXDDBUAOB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63582;MM63582;CCNCC#CCC=NN;VYRAAJUPKTWKFS-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63583;MM63583;C=C(C)COC(=O)C(C)=O;ITQHOCYQXHJERD-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63584;MM63584;CCONC=N;OLYSTEUZGSJXDP-UHFFFAOYSA-N;88.11;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63585;MM63585;C#CC(=CCO)CNN=C;URCVBRQULJZAET-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63586;MM63586;C=NNCC(=O)C=CCO;IIAIOTZTPOPGJW-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63587;MM63587;C#CC(C)(N)CN;VJSWHONGARIHJD-UHFFFAOYSA-N;98.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63588;MM63588;CNN=CCC=O;MNUOXQPSUJIWKW-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63589;MM63589;CC#CC(C)(O)C(C)N;QHWXGYJBDQCNDT-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63590;MM63590;C=CC(CNC=O)ON=C;DFMCNSKTMYCIEP-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63591;MM63591;C#CC(C)(O)C(=C)C(C)N;DVEQUIKLVLVTGF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63592;MM63592;CC(N)C1(F)CC1;WOUAWTWMWPLNGS-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63593;MM63593;CCCONC=N;HQEYDZOGQLDFRJ-UHFFFAOYSA-N;102.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63594;MM63594;COC(OC)C(C)(C)N;QTANTCXLVSYYOB-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63595;MM63595;C#CC(O)(CCC)CNC;LETQFCNCSAIYCM-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63596;MM63596;C#CC(O)(CC)CNC;YBZJYMFJQAEZHD-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63597;MM63597;CC(C)C(O)C=CC(N)=O;DYAHCJILIRZGEL-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63598;MM63598;C=NOC(C)(C)C(C)N;MVCNMCWDRSHSTR-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63599;MM63599;CCONC(=N)CCF;ZWTPOAOPBCMOEI-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63600;MM63600;C=COCC(=O)CNN=C;WBEZWPMYGFMFSL-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63601;MM63601;C=NNCCOCC=O;RDGPBLGFYMSBDE-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63602;MM63602;C=NOCC(N)C(C)C;QSWRLSGXEYNJOG-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63603;MM63603;C=NOC(C)C(N)CC;QJAWPUMAXYZYTG-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63604;MM63604;C=CNC(=NN)ON=C;IAVLXPAIJJKCSJ-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63605;MM63605;C=NN(C=NN)CC;FZUNIFIMKWQMGR-UHFFFAOYSA-N;114.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63606;MM63606;C=C(C)C(CN)OC=O;GRFBYUKUVNKMNL-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63607;MM63607;C=CN(CC#N)C(=N)N;XTKWOSJXTLBZCR-UHFFFAOYSA-N;124.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63608;MM63608;CC(=O)C(O)C=CC(C)C;VUNCZAFMLVXZET-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63609;MM63609;C=NNC=CC(=O)N(C)C;CWGGCTQBIDUYSV-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63610;MM63610;NN=CCC=COC=NN;DZKHZZJGWXAWLB-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63611;MM63611;CNCC=C(C=O)OC;RHGHVGODSIZZCV-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63612;MM63612;COCCCONC=N;PZUZVCKRGSQHMP-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63613;MM63613;CCCN(N=CN)C(C)=O;QDIONPPLWMINGC-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63614;MM63614;CC(=O)N(C)C=CC(C)O;ASWHMFUOURRWGS-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63615;MM63615;N#CCCCONC=N;YLLSADQIYIGCGK-UHFFFAOYSA-N;127.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63616;MM63616;C=CC(C)(C#N)OC(=N)N;ZNKPGPAMWAMFLC-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63617;MM63617;CC(O)C=CN(O)C(N)=O;GJABLXFSQQOQER-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63618;MM63618;CC(=O)NC(=N)C=C(C)C;BHJNHXFPBGNBAN-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63619;MM63619;C=NNC(=O)N(C)C=N;LAAFIOJNRXTZNM-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63620;MM63620;C=NNC(=O)C(C)NN=C;VMWSLXXHKKQNGL-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63621;MM63621;C=CC#CC(=N)NC(C)=N;XLPOOFBLCTWRMU-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63622;MM63622;C#CC(N)(C=CC)C(=N)N;QYRMIFZANIIYLA-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63623;MM63623;C=CC(=C)NC=NO;VYUPKWVTMSISRU-UHFFFAOYSA-N;112.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63624;MM63624;C#CC(CN)C(O)C#CC;WWOKIXXFTGZIMU-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63625;MM63625;C=NN=C(NO)NNC=N;XGYFYZZIYUOVMT-UHFFFAOYSA-N;144.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63626;MM63626;CCC#CC(F)C(O)CN;ZTNQFFGRDBITJV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63627;MM63627;C=CC(O)C(C#CC)CN;AVUCIAAHOOOFLJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63628;MM63628;C=C(C)C(NC)C(O)CC;JTSPZGZWLHIPNN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63629;MM63629;CON=CNNC=O;ZJCAKVPLFHAIPD-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63630;MM63630;C=C(C)C=CN(O)C(N)=O;UFFQZKUUAYHUBX-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63631;MM63631;CCN(O)C(C)=N;VZBIWOVKEXIXRO-UHFFFAOYSA-N;102.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63632;MM63632;CC#CC(N)(CF)C(C)N;NYFJYNNLGKPZRW-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63633;MM63633;C=C(C)N(O)C=NC(C)=O;AXLAMEQNPMKBAM-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63634;MM63634;CN=CN(C)CC(=O)OC;UUYWKURSGUOXFE-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63635;MM63635;C=C(C)C(C)C(=O)NNC;MXDTUFTXDITWDK-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63636;MM63636;CC(O)C=CC(=O)C(C)F;IQNCULJIYRKQDR-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63637;MM63637;C#CC(CNC)NC(C)C;IYEBKEHGAXIIBT-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63638;MM63638;N=C(N=C(N)C=O)NO;ZGKUDHIFMRHHHO-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63639;MM63639;CC(C)=CC(CN)OC=O;RHPAMUULDHHTEL-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63640;MM63640;C=CC(NC)C(C)(C)O;KZVLQJPASNKXMN-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63641;MM63641;C#CCC(N)(CO)CC#C;AFBWSWUMXQZOAP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63642;MM63642;CC(F)=C(C)C(C)(N)CO;MFQMARGQBSKGAB-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63643;MM63643;C=C(C)C(N)COCCF;XSUWPDDEQGTICW-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63644;MM63644;C#CCOCC(N)C(=C)C;JCMOSWZRNGMLAH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63645;MM63645;C=COC(=C)N(N)C(C)=N;GQTVDYNEEVNARR-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63646;MM63646;C=CC(N)C(C)(CF)NC;WPLIRQGSGYXFQT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63647;MM63647;CNC(=N)OC(C#N)OC;SVTPLDNDIRSILF-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63648;MM63648;CN(C)N=CC(=O)N(C)O;RFLDFCQHPAGUFP-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63649;MM63649;C#CCNN(C)C=NCC;SYCNJGUIUNQYCO-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63650;MM63650;CNC(C)C#CCC=NN;PRRVRKCAOPJKRK-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63651;MM63651;CN(C=N)C(=CF)CC#N;NUNYPWYFJYXTCA-UHFFFAOYSA-N;141.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63652;MM63652;CCNC(C)(CO)CC=O;XQSHNLGWEVGHQA-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63653;MM63653;C=C(C)C=CC(=O)C(C)O;ZCHXVDJUFZOOPW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63654;MM63654;C=CC(CC)C(=O)NNC;XQHSCHZFPRQERO-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63655;MM63655;CC(C)(CO)NCCC=O;QYDDLAIHKCBFLP-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63656;MM63656;C=C(CC)C(NC)C(C)O;ZZBIMYHUYRZTIZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63657;MM63657;C=CC(C)CCNNC=O;YEVPBMUMCRUOHO-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63658;MM63658;CC(=O)C(=O)C=CC(C)O;LDCDPCOZZMFGHW-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63659;MM63659;C=CC(CNCC)NN=C;YXQPBICBSKITKN-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63660;MM63660;C#CCCN(C=N)CC#N;HGDIFMZFAAKYPC-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63661;MM63661;CC=C(C)N(C=O)C(=N)N;AUTIHFRSPCIFTL-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63662;MM63662;CNC(CCCF)C(C)F;UQBKTRJHDAQETA-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63663;MM63663;CC(C)(C)CNNC=O;JYZISQWYAUGHFH-UHFFFAOYSA-N;130.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63664;MM63664;C#CC(O)CCC=NN;BMGTWKMYXRVOIK-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63665;MM63665;CC(F)(CO)CNCC#N;IKJCUTCYONDQNW-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63666;MM63666;C=NOC(C)(CO)COC;XXZXAICVRXQSTH-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63667;MM63667;C=C(C)C=CC(=O)C(C)=O;ITISDOKCXPJEMZ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63668;MM63668;CON(CCCF)C(C)=N;OLHCNZWQNJFHGB-UHFFFAOYSA-N;148.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63669;MM63669;C=C(C)C=CC(=O)C(N)=O;DCOSAAWXOGAAGI-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63670;MM63670;C=CC(C)NN=CC(C)O;WTVMKFFGWJRVGP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63671;MM63671;C=C(CO)C(=NOC)NO;XUZAWNHOKSTSRL-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63672;MM63672;CCOCC=CN=CNN;AGYFKXLVNCQYLS-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63673;MM63673;C=C(C)C(=N)N(C)O;JCWKZMKICBZZGL-UHFFFAOYSA-N;114.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63674;MM63674;C#CC(CO)NN=CC=C;BGAUNZWSYFFFLW-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63675;MM63675;C=CC(=N)N(C)O;YNHPQEVPRQIKGL-UHFFFAOYSA-N;100.12;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63676;MM63676;CC1(C)C(N)C1N;ZBJPTHZKTKBGGR-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63677;MM63677;COCCC(=NOC)NO;DAPZZJNWXYIDMI-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63678;MM63678;C#CC(N)CCC;QCPOKUXLSVMAIW-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63679;MM63679;CON=C(CC=NN)NO;OCYYDXYBPGUMHN-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63680;MM63680;C=C(F)CN(O)C=NC=N;CJWMQQIMGFGSJP-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63681;MM63681;CC(C)C(O)C#CC(N)=O;RXDHESPKFKONKP-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-hydroxy-5-methylhex-2-ynoic Acid";MM03381;CC(C)C(O)C#CC(=O)O;DKMWZNFBIZNNHA-UHFFFAOYSA-N;142.15;0.09;2748032;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63682;MM63682;C#CC(=C)C(CO)NN=C;KWCJGGOQSSOBPG-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63683;MM63683;C=C(C)C#CC(O)C(C)O;YWPHEWOHMRXFHR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63684;MM63684;CC(=O)C#CC(F)C(C)O;STODTSAXBGDSJS-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63685;MM63685;C=C(C)CNCC(O)CC;IVDQSQLBVDHNEG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63686;MM63686;C=C(C(C)O)C(N)CCF;UDQIWAVQRGTXGB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63687;MM63687;CC(=O)C(C)C#CC(C)O;PYDHAVPAYXBRPU-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63688;MM63688;COCC(C)C(=N)NO;FDVPPVXAAWKJCU-UHFFFAOYSA-N;132.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63689;MM63689;CCC(C)(F)C(C)N;ICNFEDJZWAXMSW-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63690;MM63690;C=NOCC(=COC)CO;HILJKWDNECSKEV-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63691;MM63691;CC(C)C#CC(O)C(N)=O;IGPXQVRBOCBJDL-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16398;MM16398;CC(C)C#CC(O)C(=O)O;WMKJWGGBISWZHV-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63692;MM63692;CCOC(N=CNO)=NN;JYORNUIYFYTKBZ-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63693;MM63693;C=C(F)C(O)C#CC(C)O;PGZAQVOTGZIMJY-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63694;MM63694;CC=CN(NC)C(=O)NC;LVIQKNWNSBFDEK-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63695;MM63695;C=C(F)C(C)C#CC(C)=O;DGBYPBNXNBQRCV-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63696;MM63696;C=C(C)C(O)C#CC(C)=O;IMXVPHPMELNKFW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-hydroxy-5-methylhex-5-en-2-ynoic Acid";MM03358;C=C(C)C(O)C#CC(=O)O;UYFPZOIUWPNWNT-UHFFFAOYSA-N;140.14;0.01;55303256;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63697;MM63697;C=NN(C)C(C=O)COC;HAKRFJDFXJZMCE-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16370;MM16370;C=C(C)C#CC(O)C(=O)O;FYHAICUAVVLRRQ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63698;MM63698;C=NNCC(=O)N(C)N=C;CTZQFKRHFYKMID-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63699;MM63699;N=C(C=CN)NO;MXOMLECDRYYLCU-UHFFFAOYSA-N;101.11;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63700;MM63700;C=NNC(C)CNC;SCPAHCGFGDZFTQ-UHFFFAOYSA-N;115.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63701;MM63701;CCCNC(C#N)C=O;XYOJHHJVRADOMQ-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63702;MM63702;C=C(C#CC(C)O)C(C)O;AKLRQMYTSJBSKE-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63703;MM63703;C#CC(N)(CC)CN;MVUWZLHRBGLYLF-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63704;MM63704;C=NN=C(C)NCC=O;AIJCDJLWQMVRID-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63705;MM63705;COC(=O)OCCN;NPBARHFCUXXUMX-UHFFFAOYSA-N;119.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63706;MM63706;CC=C(C)N=CNN;ZLPWNLYAOJXANQ-UHFFFAOYSA-N;113.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63707;MM63707;CC(=O)C#CC(=O)C(C)O;YWHUWEBVZUJRFU-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63708;MM63708;CNCC=C(F)CF;SKNJRYFVHYENNY-UHFFFAOYSA-N;121.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63709;MM63709;CC(C)NC(C)C(C)F;CPORGQGRYNMZGO-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63710;MM63710;C#CC(N)(CN)CCC;YHUPKQSDHPDBIG-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63711;MM63711;C=C(C)C#CC(=O)N(C)O;YWXJOMNLTNLTJS-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63712;MM63712;CC(=O)C#CC(=O)N(C)O;MHMGGGGYAFINFY-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63713;MM63713;C=NNCC(C=O)OC;PNDCOUWSAOBZPJ-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63714;MM63714;C=NNCC(C=O)=NNC;BGJAMDMRZWKAHR-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16389;MM16389;C=C(C#CC(C)O)C(=O)O;AWVMEQLMSBZWRO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63715;MM63715;CC(=O)C(=O)C#CC(C)O;GLMDUKLIBVFRBN-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63716;MM63716;C#CC(N)(C=C)C(=N)N;JBTVUOGPLRNIGA-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63717;MM63717;CNC(C)CC(F)C#N;RTSMYHUDMUVJNF-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63718;MM63718;C#CC(COC)NN=CC;IMEMLERLCNSUBM-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63719;MM63719;C=C(C#CC(N)=O)C(C)=O;JILHUHLOXYVIQP-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63720;MM63720;C=C(C)CNCCOC;LVILCPCVFZTUKG-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16121;MM16121;CC(=O)C(=O)C#CC(=O)O;HZWRRDZGRCJSJE-UHFFFAOYSA-N;140.09;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63721;MM63721;CC=NNC(C)CNC;IGAIEVBUUDIPAG-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63722;MM63722;C#CC(=NO)N(C)C=NN;ZUWIMJKYFIDWKV-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63723;MM63723;CCN=CN(C)N(C)C;OBLQESDRYCJADE-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63724;MM63724;C=C(C)C#CC(=O)C(N)=O;FMQVOLQXCXQOIH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63725;MM63725;CC(=O)C#CC(=O)C(N)=O;UEQMQFSLNZPDIF-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,5-dioxohex-3-ynoic Acid";MM03149;CC(=O)C#CC(=O)C(=O)O;OFHLPEXMAYXIDC-UHFFFAOYSA-N;140.09;-0.77;19836213;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63726;MM63726;C#CC(N)CCCOC;KHMQIRUPKJIQPB-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63727;MM63727;C#CCN=CN(C)C=N;SNEYZGOMHVDKHG-UHFFFAOYSA-N;123.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63728;MM63728;CNN(C=O)C(=O)NC=N;BGEFRKVIQNKCBJ-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63729;MM63729;C=CCC#CC(C)NC;ZLABZXYSPWDZIX-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63730;MM63730;N#CC(N)=CC(=O)NC=N;CEXNKVVXMBRMTP-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63731;MM63731;C=CN(C)C(C)=NC=N;IKPGPWOIHCSNBB-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63732;MM63732;C=NNC(CC)CNC;VYAYWKFZBZYTMR-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63733;MM63733;CC=C(C=O)C(N)=NC;LKMLVVBVVHIMKJ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63734;MM63734;CC(F)=CCN(C)C(N)=O;NHVRMKPAXSIIQV-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63735;MM63735;C=CC(C)(N)CC(=O)OC;LBYXEBJNSDLRPE-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63736;MM63736;CCCC(=NC)NC=O;AGSXNURPHNDHQH-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63737;MM63737;CC=NNC(=O)N(C)C=N;FUFVZRTWXCFZJY-UHFFFAOYSA-N;142.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63738;MM63738;N#CC=C(N)C=NNC=O;LNEFSSGFNQWZES-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63739;MM63739;CC(C)=CNC(=O)C(C)O;DBVOPGXWXRAQOL-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63740;MM63740;C#CC(N)(CN)CC(C)C;XKGNPSKMANNJSF-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63741;MM63741;CCCC(C)(N)C(F)CN;BBFQCTIQDORRLY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63742;MM63742;CC(=N)NC(=N)C#CCF;OWRCOPHCPOINAO-UHFFFAOYSA-N;141.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63743;MM63743;C=NOCC=CC(=N)NO;GUPQFIDSDROCJP-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63744;MM63744;CNNC(=O)C(C)=CC#N;BXQJHMXQJVDASV-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63745;MM63745;CCN(C=NO)C(C)CO;SWRPNFZHXOCMRT-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63746;MM63746;CC(C)=NNC(=O)N(C)O;CCOYYNGRBHBBRN-UHFFFAOYSA-N;145.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63747;MM63747;CC(=O)N(C)C=C(C)CN;MCDOIPSQSWHLSC-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63748;MM63748;C=C(C#CCN(C)C)CN;FGCDTQPDKJEJLU-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63749;MM63749;CCC(N)C(F)CC(C)F;MPQWIPJZOPSNMJ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63750;MM63750;CC#CC(=N)N(C)C(C)=N;ZTFBVQHUJNVHID-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
6-methylhept-5-ene-2,3-dione;MM01619;CC(=O)C(=O)CC=C(C)C;ZDSFAFAZUKBLRR-UHFFFAOYSA-N;140.18;1.5;86161373;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63751;MM63751;CC(C)=CCC(=O)C(N)=O;OVXKGHCLSQRDSJ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63752;MM63752;C#CC=C(C)C(=O)NNC;DOAWCGMRIUTNLF-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16525;MM16525;CC(C)=CN=C(N)C(=O)O;CJZUVMFJWSOHNB-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63753;MM63753;CC(=O)C(=O)NC=C(C)C;PRPLCRSPHWLPQX-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63754;MM63754;C#CC(O)C(C)(C)C=NN;MXBGDWKBQBRYHD-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63755;MM63755;CNNC(=O)C(C)(C)C;FOQCTLKIEUXMCG-UHFFFAOYSA-N;130.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63756;MM63756;C#CC(N)(CN)CCCF;GVIMCNXSTCGZFR-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63757;MM63757;C#CC(N)(CN)CCC=C;RJMNGNKRACGMOR-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63758;MM63758;C=CC#CC(C)(CN)NC;KURGGEMEHSSNDL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63759;MM63759;CC(C)=NOC(=O)C(N)=O;PNFWVNCDIMBLSH-UHFFFAOYSA-N;144.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63760;MM63760;C#CCC(C=C)(CN)CO;ILKLGNNSVQLUPR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63761;MM63761;C#CC(N)CCC(F)CF;CFUJNNBODDLOLF-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63762;MM63762;COCCNCC(C)(C)O;OFVGCTCOKXRKHS-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63763;MM63763;C#CCC#CCC(N)CO;HXHGKCXNRUDCCR-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63764;MM63764;C#CCC(C)(N)C(=C)CO;BPVWMMVMZJNEHI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63765;MM63765;C=CCC(=C)C(=O)NNC;YRDIOZGHOPFVEH-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63766;MM63766;CC(=O)NC=C(C)C(C)O;GQEDCQCVWFPUIH-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63767;MM63767;CC(=O)NC=C(C)C(C)F;PGXHRCLBWAGGJN-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63768;MM63768;C#CC(CN(N)C=N)OC;UVQINJWJZVDNCS-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63769;MM63769;CN(C=N)N(C)C(=N)C#N;NTMXIPJVOREEGE-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63770;MM63770;CC(=O)NN=C(C)C(C)O;FMEQSZACTXYLCT-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63771;MM63771;C=C(CC)CNCC(C)O;XKWCXSBKQPVOIJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63772;MM63772;CCCOC(=O)OCCN;LQZNCUUTMRUVLZ-UHFFFAOYSA-N;147.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63773;MM63773;CC=COC(=O)OCCN;MBANTYFIRKEFBQ-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63774;MM63774;CC=C(C)CNCC(C)O;ZQKPCSGYMSOLAY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63775;MM63775;CC=CC(N)C(CO)CF;ABXYHCKJGHLEFO-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63776;MM63776;CC=NN=CC(CN)CO;GUPLJYJKTSTTCQ-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63777;MM63777;CC(=O)NN=C(C)N(C)O;HFMKWMSFOUYXBE-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63778;MM63778;CNNC(=O)C(C)=C(C)C;JLXVHMMUIQUSGS-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63779;MM63779;N=C(C#CCF)NCCF;GERLHNDBMOJYSS-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63780;MM63780;CCC(N)C(F)CCCF;NNRKIUIVICHYSG-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63781;MM63781;CCC(=O)N(C)C=CCN;AQJGASHAJPUIOB-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63782;MM63782;CCC(=N)NOC=NOC;MZXYBCTWYUPHKD-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63783;MM63783;C=NOCC(C)(O)CO;WDVUXHKNGMUYTB-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63784;MM63784;C=C(C#CC#CCN)CN;YMNJJNQQKUKPAH-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63785;MM63785;C=CC(NN=C)C(C)NC;KVEJLMSLQSDOSH-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63786;MM63786;C=C(C=NN)C(=C)NC=O;NGKFZYWBCPBCIR-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63787;MM63787;C=NN(C)CC#CC(C)O;KTHOCJRQQBSGSD-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63788;MM63788;C=CCN(C=N)C(=N)C=C;WAJDDFFBEZCNBF-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63789;MM63789;CC(=O)NC=C(C)C(C)=O;YIZCUPLAOCYROM-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63790;MM63790;COC(=CC=NN)C(C)O;BKWUULVHQLKWFB-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63791;MM63791;C=NOCC(CO)OC;OZYIILYEZUYAJN-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63792;MM63792;CCN(C=NC)NCC#N;RYBMXYDJHWDNMK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63793;MM63793;CN(N=CNO)C(=N)N;YQPZVQZCGFJMLZ-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63794;MM63794;C=CCNN=CC(C)O;FPXXGXFERMESDN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63795;MM63795;C#CC(CO)N(C)N=C;OJFSXFUPYDIMPW-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16486;MM16486;CC(C)=NN=C(C)C(=O)O;NMRCYXSRUDZTEC-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63796;MM63796;CCN(C=CCN)C(C)=O;ACLHNQLKZLRLGJ-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63797;MM63797;C=NNCC(CN)=C(C)F;AOPDEZJBWBLVEE-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63798;MM63798;CN(O)C(=N)C(C#N)C#N;LROKGOUPVDTWIU-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63799;MM63799;C=CCCNCCNN=C;NYMGYMJQXSLVEJ-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63800;MM63800;CCN(C)N=CCO;PXWSBZBRDDMUFS-UHFFFAOYSA-N;116.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63801;MM63801;CC(=O)NCC(C)=C(C)F;XVEYNMZOXJJTOK-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63802;MM63802;CONC=N;WALPDCNEABONMQ-UHFFFAOYSA-N;74.08;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63803;MM63803;C#CC(N)CC;MSNZFDLOGHAYJE-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63804;MM63804;CNCC=CF;GKHBZPYSWBBPMK-UHFFFAOYSA-N;89.11;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63805;MM63805;C#CC(CN)NC;VYUQJHXFCIWFPS-UHFFFAOYSA-N;98.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63806;MM63806;C=CCCN(C)N=CCO;FDWYLPLZRIVOFH-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63807;MM63807;C#CC(N)C(C)C=C;ZKIQCQNSCWWLID-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63808;MM63808;C#CC(CNC)OC;KEFLGZQERATTBB-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63809;MM63809;C=CC(C=C)NCC;NIMLKEUMDWGQMX-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63810;MM63810;C=NN=COCCN;YBUJIKYZXKLHTP-UHFFFAOYSA-N;115.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63811;MM63811;CNN=CC(CO)CO;HHKGUUXGQPTYKR-UHFFFAOYSA-N;132.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63812;MM63812;C#CC(C=NN)CC(C)O;MEXAPKNEGVMYFN-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63813;MM63813;C#CCNN=CC=CCO;CHVCIMKRUIIUNM-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63814;MM63814;CNN=CC(C)(C)NC=O;VFEVJIRRUNOBOV-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63815;MM63815;CCC(C)(N)C(F)CN;NSZYEZWCJMSCMX-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63816;MM63816;CN(C=O)C(C)(C)CN;NMGJTIFEJXOYLS-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63817;MM63817;CC(O)CCCC(O)C#N;IGCFZFWLZPHNSS-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63818;MM63818;C=CC(C)(F)C(N)CC;IUVXHJCNKQDRBF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63819;MM63819;COCC(=O)N(C)N=CN;CTIMYYSEEDZZKZ-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63820;MM63820;C=CN(C)C(=NN)ON=C;VBKWCKMFFFFKHT-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63821;MM63821;CC(C)COCC(O)C=O;RFWKBGLSAHZLTA-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63822;MM63822;CCC(C)(C#N)NC=N;RXXXBOYUBIGGGY-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63823;MM63823;COC(=N)NN(C)C=N;YLSKPTRBUQEMOK-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63824;MM63824;CC=C(F)C#CC(=N)N;GOORKEQOQJFBHR-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63825;MM63825;CCN(C=NN)OC=NN;XGDQFBWIZHJVBX-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63826;MM63826;CON=CONC(C)=N;CCKFTWMGIGJBDN-UHFFFAOYSA-N;131.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63827;MM63827;C=CCC(=O)OCCN;FROOZHXWCCINHM-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63828;MM63828;C#CCC(=O)OCCN;QZSZJSOSBPPTBQ-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63829;MM63829;C=NNC(=N)CON=CC;UZAXBRDOOOAKEJ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63830;MM63830;C#CC(O)COCC(C)F;AFSOVBPSYYHTKB-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63831;MM63831;C=C(F)C(=O)OCCN;NZWGEWVMXZGMDZ-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63832;MM63832;CC(=O)N(N=CN)C(C)C;MQEUQVBXWFTBBD-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63833;MM63833;C#CCC(CN)OC=O;PEUGXCYYEYVUGT-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63834;MM63834;C=C(C)C(COC)NC;UPECBPMKHQMPRN-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63835;MM63835;CCN(C=NC)N(C)C;CLUQPDWSAVZJDN-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63836;MM63836;CNN=C(NC)C(=O)NN;GWOIPQDLHAWMMW-UHFFFAOYSA-N;145.17;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63837;MM63837;CC=NN=COCCN;DJJHQOFGPIWQOH-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63838;MM63838;CCNCC(F)C(C)(C)N;CAUVFHSJXNNXFG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63839;MM63839;CNNC(=O)C=CCC#N;UTICXAHKTMLNSF-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63840;MM63840;C=NNCC(N)CC(=C)C;SRSVWRQVZSQZOP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63841;MM63841;CC(C)=CC(=O)OCCN;LLFBTTFEDJWMNG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63842;MM63842;CC(F)=CC(=O)OCCN;FGKKIPHTABGJNT-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63843;MM63843;C#CCC(=O)C=CCNC;LVUPDHFAGUWEAO-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63844;MM63844;CCN(C=O)C(C)(C)CN;XOAYWEMZARDWSO-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63845;MM63845;CC(=CC(N)C=CF)CF;XLUOIBWWQCHKKG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63846;MM63846;CC(F)CC(C)C(N)CF;QBJGQEAUAICFDO-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63847;MM63847;C=NNC(C(=C)C)C(C)N;PBZGIENMNDZERS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63848;MM63848;C=C(C)N(CC#N)C(=N)N;LNBYBFLDVNIQOS-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63849;MM63849;COC(C)CONC(C)=O;RXCSKTMBZYCQSB-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63850;MM63850;C=CCCC(=O)OCCN;DWKQCNPJHHBQOC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63851;MM63851;C=NN=CC(=O)OCCN;HWXFMCILZDXINM-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63852;MM63852;C#CC=CC(=O)OCCN;JEQLJJZOOIYZIQ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63853;MM63853;C=CC#CC(=O)OCCN;OUKSMAJESGVVQQ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63854;MM63854;C#CC#CC(=O)OCCN;FHDWFYZNJCABAH-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63855;MM63855;CNCC=C(F)CCC#N;MDSLQAZWFARDRO-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63856;MM63856;CNCC=C(F)CC=NN;FMCDZVITRMWORC-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63857;MM63857;CC(=O)CCCC(O)C=O;LIIMWGUTLNFIGQ-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63858;MM63858;CC(=O)CCCC(O)C#N;CJOVTZBHDNEJPR-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63859;MM63859;CC(CCCF)C(N)CF;AVARXKOYKKLNKT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63860;MM63860;C=CCCN(C)C(=N)OC;YYCBMTNSIXCVPQ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63861;MM63861;CCC(F)C(=O)OCCN;WVLYXQOEIBLNKH-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63862;MM63862;CC=CC(=NO)NCC=O;QXNRHPLQUOLQNS-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63863;MM63863;C=CC(C)C(=O)OCCN;LCFOYVLYPMENSH-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63864;MM63864;C#CC(F)C(=O)OCCN;DOFJWJZPGLTUTO-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63865;MM63865;CC(C#N)COCC(N)=O;VNBHNPYCBZEEKS-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63866;MM63866;C=C(C)COCC(O)C#N;IHTMVDQUBBWBDR-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63867;MM63867;N#CC(O)COCC(N)=O;BFTAPJNCUCIMSX-UHFFFAOYSA-N;144.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63868;MM63868;CC(=O)NCCC(C)C=O;RMJMJPIZQAQMRV-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63869;MM63869;C=CC(C)CONC(N)=O;JSAJUMCKUJRRMA-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63870;MM63870;C#CC(N)C(F)=CCNC;XXKRKHIKTPLDCA-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63871;MM63871;CC(C#N)CCOC(N)=O;BRXOEHYTKXPGFC-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63872;MM63872;CCN(C)N=COCCN;CDKKUABJBSQEFA-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63873;MM63873;CN=C(NC)NN=CC=O;FWQWXXFFWFHQGL-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63874;MM63874;CC(=O)CCOC(C)C#N;SNNIFPNTGFURJR-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63875;MM63875;CC(C#N)OCCC(N)=O;SYOKADCZYSOJLY-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16242;MM16242;CC(C#N)OCCC(=O)O;CBPCXZZNHDXMLO-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63876;MM63876;CC(=O)OCOC(C)C#N;OXRCONVZANVGMG-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63877;MM63877;C=CC(CNC)C(F)C#N;BQWZYDGTPVIFSH-UHFFFAOYSA-N;142.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63878;MM63878;CNNC(=O)N(C)NC;AFTZASDAHKLCIA-UHFFFAOYSA-N;132.17;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63879;MM63879;C#CCC(C#N)N(C)C=N;DHFIDUDREQVQRI-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63880;MM63880;C#CC(=COC)N(C)C=N;FTEBEROREMDWLH-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63881;MM63881;C#CC(=CC#N)N(C)C=N;UAIBIZXNJXMZGS-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63882;MM63882;C#CC(CNC)NCCC;XXTORNAQMUIAKJ-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63883;MM63883;C#CC(O)COCC(=O)O;MJSMHRWQYOLUHW-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63884;MM63884;C#CC(CNC)OCC=C;TZFDRABBBJVWDZ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63885;MM63885;C#CCOC(C#C)CNC;MWDAMERHMBJBFD-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63886;MM63886;CC=CC(=O)NNC;RTPCKHSSGXKPHU-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63887;MM63887;C#CC(C#CC#N)CNC;RXKFMZVRYQZYJY-UHFFFAOYSA-N;132.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63888;MM63888;C#CC(=NN=C)OCCN;QKZAJPKQNPIKMI-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63889;MM63889;C#CCC(N)(C=C)CCO;MRNUMJOHASFYKB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63890;MM63890;C#CC=C(C=NOC)CN;HXHKBJPHHMZCBL-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63891;MM63891;C#CC(N)C(=NC)N(C)C;CNJAKQFYTRACGH-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63892;MM63892;CC#CC(N)C(=CF)CN;YARPGYSOOVXYFJ-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63893;MM63893;C=CC=NN=COCCN;FFORYEJESMRJLX-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63894;MM63894;CC(F)=C(C)C(N)CCO;VXAKODOOKOWEIW-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63895;MM63895;C#CC=NN=COCCN;VEMGNMNGCHPDFX-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63896;MM63896;C#CCNC;HQFYIDOMCULPIW-UHFFFAOYSA-N;69.11;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63897;MM63897;CNC(=O)OCOC(C)C;VZISJECPGFLWIP-UHFFFAOYSA-N;147.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63898;MM63898;COC1CC1N;PHESTWQJVUANKG-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63899;MM63899;CNCC=C(C)F;QEKBMKZSWYUZQN-UHFFFAOYSA-N;103.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63900;MM63900;CC#CC(C)NC;URIVKEFQXNKNQY-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63901;MM63901;C#CC(O)CN(C)N=CC;NOUUZIKVDPCQER-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63902;MM63902;C=CC(=O)COCC(C)O;UECNMFDNBJKFKQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63903;MM63903;CC(O)COCC(=O)C#N;YEGONHJUMTWCQK-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63904;MM63904;CC(C)C(N)CF;ZRJYSDSGKGRTJF-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63905;MM63905;C#CC#CC(CN)CCO;LGCLJKDIBBNHLG-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63906;MM63906;CC(F)CCNC(=O)C#N;OCMXVXDMHHIGMG-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63907;MM63907;CNN=CN=C(NN)NN;MUINSRNXKNPNHQ-UHFFFAOYSA-N;145.17;-2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63908;MM63908;CC(N)C(F)C(C)(C)N;GNVOBIQEMSCFRV-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63909;MM63909;CC=NN(C)CC(C)N;QPOHNWDALFAIAY-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63910;MM63910;CC(O)CCOC(=O)C#N;FIRLSNYEEAKAMO-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63911;MM63911;C=NN(CC)CC(C)N;IKNZRLBJMXLYRX-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63912;MM63912;CC#CC(O)C(C)C=NN;ZLUZXBXIIAWMJP-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63913;MM63913;C#CC(C#CCCO)CN;WWDUFEUJIDUJOE-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63914;MM63914;C#CC(=O)OCCC(C)O;UEPPVVQGQLOWJT-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63915;MM63915;C=CCC(N)CNN=C;HFPLWTKNMHOSBE-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63916;MM63916;CC(=O)CCCC(=O)CO;RDYZEHHXISBFMS-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63917;MM63917;C=NN(C)C(=N)NC=N;XXKZJEIKIZWUHG-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63918;MM63918;CC#CC(CN)NCC;UXDZQEWUBNTEHG-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63919;MM63919;C=CC(NN=C)C(C)N;QEFVDUGCWXBDLC-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63920;MM63920;CC(O)C(=O)N(C)N=CN;IUQMKHYMQSAGQZ-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63921;MM63921;COC(CN)CC=CCO;CXUOESSKFWFYAS-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63922;MM63922;C#CCN(CC=O)C(C)=N;DEALGISGQDFOTJ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63923;MM63923;C=C(CCNC(C)=O)OC;XMQNLBHAYYCIKH-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63924;MM63924;CNNC(=O)C=CC(C)C;ICHXKWSKBQCLMM-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63925;MM63925;C#CC(C)(O)CC=NNC;IDGANKAERLPXJK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63926;MM63926;C=CC(C)(N)C#CC(C)N;PKZZATQUPRPQHY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63927;MM63927;C=C(C)CNCC=C(C)C;MEGCDEBIXKHAOP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63928;MM63928;C=C(CCOC(N)=O)OC;AULXRBRVLQYXQI-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63929;MM63929;CCC(C)C(N)CNC=O;LNEUMCWPPMCGSR-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63930;MM63930;C#CC=NN(C)CC(C)N;YANVCZVUNPZHTM-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63931;MM63931;C=C(CO)OCCC(C)=O;CHZRNSHYVURREQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63932;MM63932;CNC(C)C#CCN(C)C;JKFHONMXWKNXAL-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63933;MM63933;C=NN(CCC)CC(C)N;KQIGRMWUHAIKHF-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63934;MM63934;C=CCN(CC(C)N)N=C;NDFWRGWKUZMJRK-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63935;MM63935;C=C(CO)OCOC(C)=O;GQCLBNUOBWCKCP-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63936;MM63936;C#CCN(CC(C)N)N=C;JTWIJPBSRIBJDN-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63937;MM63937;C=NN(CC(C)N)C(C)C;MXQLUENPHKYKRR-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63938;MM63938;C#CC=CNC(=N)C#CC;KQQOQTHPGNLTLG-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63939;MM63939;C=NN=CC=C(N)CNC;HNMKZPGPQDATCJ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63940;MM63940;CNN=CCCC#CCO;DKEKNZMSCZGRHO-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63941;MM63941;CCC(N)C(C)(C)C(N)=O;ZZOKKCYGKZUIPO-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63942;MM63942;C=C(C)COCC(=O)C=O;AODPZXBGSVPCOR-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63943;MM63943;C=C(C)COCC(=O)C#N;RWCAJCBKDGRFMT-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63944;MM63944;CC(=O)COCC(=O)C=O;TZHWNDBNYHNOBQ-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63945;MM63945;CC(=O)COCC(=O)C#N;MOWCZMALZMQEBP-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63946;MM63946;CC=NN(C)C(=N)NC=N;RTDFKCJINASFNF-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63947;MM63947;C=C(C#N)CCNC(C)=O;IQTVRFOSXJQUGN-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63948;MM63948;C=CC(=C)CONC(N)=O;NWJRBIQRQMVUCV-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63949;MM63949;C=C(C#N)CCOC(N)=O;HNCLTCXMVBDCTL-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63950;MM63950;CC(=O)OCCC(=O)C#N;HCMFZDUTZVHCET-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63951;MM63951;C=CC(=O)NC(=C)C=NN;MNTHSVYOQOAFDO-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63952;MM63952;C#CC(O)CC=NNCC;RBXHJDZSXAJJEE-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63953;MM63953;CC=C(C=NNC)NC=O;YSJLLANYEMLNDO-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63954;MM63954;CCC(O)C=NN(C)C;QBCLJFFPFKRYJQ-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63955;MM63955;C=NN(C)C(C)C#CCO;ZFIJPLCNFMUOJM-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63956;MM63956;CNC(CF)C(C)C(C)C;QRCAJDIFGHJJIJ-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63957;MM63957;C=NNCC(O)C(C)CF;MJVWUBRBTUKRBH-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16337;MM16337;C=C(C)CONC(=O)C#N;KERXZHFBEALPJG-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63958;MM63958;C=C(C#N)OCCC(C)=O;BPYAWQVCGQHYST-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63959;MM63959;C=C(C)C(C)N(C=N)NC;DTLHZRJJPPHCSD-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63960;MM63960;C=C(C#N)OCOC(C)=O;AUYADFBBLGYHDZ-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63961;MM63961;C=NNC(CNC)C(C)C;CHZBIRAXCPZGJP-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63962;MM63962;C=C(C#N)OCOC(N)=O;QEHMZEWFTWWZQD-UHFFFAOYSA-N;142.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63963;MM63963;CNCC=CC(=O)C(C)F;ZQNAICYDUQQVCR-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63964;MM63964;C=CC(=N)N(C)C=NC=N;DFIXWUCQDGKLSE-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63965;MM63965;C#CC(CO)NC=NOC;NZAABYGNRYGIOL-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63966;MM63966;C#CC(=N)N(C)C=CC=O;FKOCTSQTQXOSCO-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63967;MM63967;C=C(F)C(CNCC)NC;TYHSAVQNBNRDNO-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63968;MM63968;C#CC(=O)OCCC(C)=O;VXAIHTNHWLPAEC-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63969;MM63969;C#CC(=C)OCOC(N)=O;CRXUCCDADLBOFN-UHFFFAOYSA-N;141.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63970;MM63970;C=CC(NN=CC)C(C)N;PRSXCVYQTQUVIL-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63971;MM63971;C=CNC(=NN)C(=O)NC;BDRJXHGGWSCQCK-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63972;MM63972;C=CC(CC)N(C=N)NC;YKOKUCIHCXINFV-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63973;MM63973;CC(C=NN)=COCCO;APFOQHJMTWYFDM-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63974;MM63974;CCNN=C(N)CCC=O;RODFEFHJEVLDOY-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63975;MM63975;C#CC(CC)N=CNC=N;DTPJRPISVGYEAO-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63976;MM63976;C#CC(=NCCOC)NC;OEUMQIXGUFXKFW-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63977;MM63977;C=NNCC(C)N;AVQCKVUOBHOGTL-UHFFFAOYSA-N;101.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63978;MM63978;CC(=NO)OCOC(C)C;STZWOUHUIUSIDC-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63979;MM63979;N=CNC(=N)CN;RCZBLFNMMAEUKO-UHFFFAOYSA-N;100.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63980;MM63980;C=CC(N)C=CF;HWAIUNMVFCDLDX-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63981;MM63981;CC=NNCC(C)N;RQNAXHJJLLTXMC-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63982;MM63982;C=CC(C)(C=C)NC;RLLAPHDTTVMBKK-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63983;MM63983;CC(C)(C#N)OC(=N)N;JQWYTWOTKKZJHN-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63984;MM63984;CC(C)=NNCC(C)N;RBWKELCCJDSPEN-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63985;MM63985;C#CCNN=CCC(C)O;WHNFEGVNUQBAAC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63986;MM63986;CC=CN(NC)C(N)=O;DUTYGGKYFVEBET-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63987;MM63987;CC(O)C=COC(C)CO;DLXGAFSQGCBTNW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63988;MM63988;C=NNCCNC(C)C;CDABDYWBHZNDSD-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63989;MM63989;CCC=NNCC(C)N;RIMWOJSBVJKCNF-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63990;MM63990;N=CNC(=CF)CCC=O;FKGYRYRORZSTRE-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63991;MM63991;C=NNCC(C)NCC;RNMCDRQMRAEVGP-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63992;MM63992;CNCC=C(F)C=NN;KPMZJZUSXMXTOU-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63993;MM63993;C=CC(=O)NCC=NNC;AHNNHKHORLPQGK-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63994;MM63994;C=CC(C)C(N)C(C)F;GNPWYROCVQLANO-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63995;MM63995;C=C(CNC)C(C)=NN;DAKSGOYAYUIEAY-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63996;MM63996;C=CCC(CN)OC=O;GETMQUIYXYEPOZ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63997;MM63997;CC=C(C=NN)CNC;ANEYDRQEVKJGQJ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63998;MM63998;CCC=CN(NC)C(N)=O;ILFBARXLWWPKHG-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM63999;MM63999;CCN(C)N=CCNC=O;NNIWHPUPLWBTKA-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64000;MM64000;C=CC=NOCC=O;QKQGDJNZFKZPPF-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64001;MM64001;C=CCNC(=N)CC#N;HRHRUNGQYIYXIV-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64002;MM64002;CC(CC=O)=NN(C)C;NEMNXPXFTJCXQF-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64003;MM64003;CNN=CCC(=NN)OC;CCCMYKHNIOBLPL-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64004;MM64004;C#CC(C=O)CN(C)N=C;OBZAUXMRLQTBNF-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64005;MM64005;C=C(C)C(=NN)NC(C)=N;RGAYWISKLJWHLF-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64006;MM64006;CNCC(=COC)CF;DIBDEDFXVMSRKR-UHFFFAOYSA-N;133.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64007;MM64007;C#CC(=O)C=CCNC;UFVYKPUBXAYMLC-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64008;MM64008;C#CC(=COC)NC=N;NLZRTMUONWMFDD-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64009;MM64009;C#CC(=CC#N)NC=N;VSFXWVWEDWOTTM-UHFFFAOYSA-N;119.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64010;MM64010;CNCC=CC(=O)CCF;IMISJISLEKVRPR-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64011;MM64011;C=CC(=NN)C(=N)NCC;ISBNVGDPTUSQPM-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64012;MM64012;C#CC(CNCC)NC;SPRTVDJEJJLWJD-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64013;MM64013;C=COCC(C)(N)COC;GXNOOHTYYIZFSB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64014;MM64014;CON=CC(C)(N)CCF;LKWRKSPPTOMJRA-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64015;MM64015;CCC(C)NN=CC(=O)O;MDMIDPACZOFENK-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64016;MM64016;C#CCC(C)(N)C#CCN;WREQSEFWNZHHPK-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64017;MM64017;C=C(F)C=NNCC(C)N;LKMGYDVGTZYNDH-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64018;MM64018;C=CC(=CC(C)=O)CNC;OWGFIBOMHMGYSB-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64019;MM64019;C=C(CNC)C(=C)C(C)=O;RTVDSDBFVBLNLC-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64020;MM64020;CNCC=CC(C)=O;XFAIGWGCYJOYQT-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64021;MM64021;CNN=C(C)NN=CC=O;GICZIRLUCOLFSG-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64022;MM64022;C=CC(C)NC=CC(C)=O;BUQPNWPLXDLBAQ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64023;MM64023;CC(=O)C=CNC(C)C=O;ONUGKZPZWHPQGT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64024;MM64024;C#CCC(=N)NC=CC#N;WUIQJEMLWTYZMF-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64025;MM64025;C=C(C)N=C(C=CN)NN;FLMWFVPCYHVUTF-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64026;MM64026;C=NNC(C=O)C=COC;RVRJOTPLIDACSB-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64027;MM64027;CON=C(C)N=CNOC;VZWPVGBXNTXOQT-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64028;MM64028;CC=NNC(=N)C=NNC;QKLVJQGZWXRFIY-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64029;MM64029;CC=NNC(=N)C=NN;VEVXIKRIQYRVKY-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64030;MM64030;CNC(=N)OCC#CC#N;COFSLKANCFRLSX-UHFFFAOYSA-N;137.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64031;MM64031;C=CC(C)(N)C#CCNC;KBBBGNRXQWXLIY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64032;MM64032;C#CC(C)NC=CC(=O)O;WGTZNGOODKATKP-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64033;MM64033;CN(N)C(=N)CONC=N;GRCZZVHJMHJECF-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64034;MM64034;C#CCC(N)C#CC(C)N;JDOGLROPWCERGQ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64035;MM64035;C=NN(C)C=CC(C)=O;MTFGELSCTGTPAU-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64036;MM64036;N=CNC(=N)CN(N)C=N;IZZZWJXRDLXTAO-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64037;MM64037;C=NNCC#CCON=C;POAOVCYUZPXTDM-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64038;MM64038;C=C(C#N)OC(=C)NC=N;RUFNLXXSZDNIFD-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64039;MM64039;NCC=COC=NNC=O;LPLABBALDZRHDE-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64040;MM64040;CNC(=O)CC=CC(C)O;NVWGFEHZJIHFMT-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64041;MM64041;C=CC(N)C=C(C)OC=O;OQKVAGXWASAFBQ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64042;MM64042;C#CCNN=CCCOC;WJPATJKSRSMJPH-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64043;MM64043;CC(C)C=CNC(=O)CO;FGEUEMSEYMYGIO-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64044;MM64044;CON=CNC(C)C#N;KGRWFXGBAVRROU-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64045;MM64045;CNC(=O)NC=CC(C)O;AUYAHTNSTTWCQW-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64046;MM64046;N=CNC(=O)N(C=N)C=N;WFBDSXUIROZRHS-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64047;MM64047;CCC(=O)NN=CC(C)O;OHFYMBBZOBKQJY-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64048;MM64048;CC(O)C=NNC(=O)CO;QFTIOFPKPWLQRZ-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64049;MM64049;C=C(C=NO)OCC(C)N;XGRAMWPSAWDFFR-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64050;MM64050;C#CC(F)CNC=NO;HKCLOLMXVULNQR-UHFFFAOYSA-N;130.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64051;MM64051;CNNC(=O)C=CC#N;ZPAJYQHFSLIFIX-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64052;MM64052;CNNC(=O)C=C(N)C#N;WXTJAFMBMVMNIO-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64053;MM64053;C=NOC(C)(C)C(=O)NN;OIGLCZKHSYDWRE-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64054;MM64054;CC#CC=CC(=O)NNC;QMTOXTASFYJHCY-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64055;MM64055;C=C(CO)OC=CC(C)O;UWLPLFPATGTIJF-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64056;MM64056;CC(F)=C(CN)CN(C)C;ODVIHCFJTWEFFA-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64057;MM64057;C#CCC=NNCC(C)N;SCMQJMITZCVKCX-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64058;MM64058;C=CCC(=N)NOCOC;AHUWXOWBYVIIKE-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64059;MM64059;CNN=C(NC=O)C(=N)N;CIEJWHXRHWYDSD-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64060;MM64060;C=C(CNC)C(C)=NNC;PBXYGNVCEWRONC-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64061;MM64061;CCOC=CC(=O)NNC;TXNBRQPXFRVYDU-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64062;MM64062;CNNC(=O)C=C(N)NC;LQBKNUWBYQTYTL-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64063;MM64063;CN(C)N=CNC(=O)CO;QLBCNDUKVGWIJV-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64064;MM64064;C=C(CNC)C(C)=NOC;HZJGPPQYNIGSMF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64065;MM64065;C=NN=C(C)C(=C)CNC;PEQVMNSTNKXCDF-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64066;MM64066;C=NNCC(C)(O)C(C)F;HDWFMSLEVBVQKG-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64067;MM64067;CCCNNC=O;YRGVVYIPLJBQIR-UHFFFAOYSA-N;102.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64068;MM64068;CC#CC(C#N)(CO)NC;BUWORLOAVSMATN-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64069;MM64069;NCC=C(C=NO)CCF;MDCANLSNPAONFK-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64070;MM64070;C#CC(O)C(F)=CC(C)N;IKLGYRGYWASQGB-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64071;MM64071;CC(N)C(N)C#CC=CF;OEAIPJATDCXYBC-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64072;MM64072;N=C(N)N(N)C(=O)NN;HWQARYUOBDSLQT-UHFFFAOYSA-N;132.13;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64073;MM64073;CC=NNCCC(=O)CO;MWJWNUGWAKEUTR-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64074;MM64074;C=NN(CC=O)C(=N)CO;NISQLSBEMXGVOQ-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64075;MM64075;C=CC(=O)NN=CC(C)O;KPPPKPWXQIXFPU-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64076;MM64076;CC(O)C=NNC(=O)C=O;DQANWNMZEZRDMR-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64077;MM64077;CC(O)C=NNC(=O)C#N;KSWAVKGTPZCAOR-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64078;MM64078;NC(CO)=NN=CC=O;PWXYQSQRVUUEBD-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64079;MM64079;CC(C)N=CNC(=O)C=O;DYDHMQLUEXKZDB-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64080;MM64080;CC(O)C=COC(=O)C#N;NEUVXTYBHPVDHT-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64081;MM64081;CC(O)C=NOC(=O)C#N;VVKLNXNBCFLOGI-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64082;MM64082;C=NOC(=NC)NO;RLHNYFFUDOVJKD-UHFFFAOYSA-N;117.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64083;MM64083;C#CCC(NN=C)C(C)N;FMPFYZMJEZQYEN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64084;MM64084;N=C(N=CNO)C(N)=O;URMNRLUWJPUOOR-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64085;MM64085;C=CC=NOC(=NC)NO;HLKTUSGGFQQYIE-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64086;MM64086;C#CC(=NC(C)=N)N(C)O;BGZNMYMWUYSRGT-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64087;MM64087;C=CC(=O)CC(C=C)NC;LLLGECDAFPJBKQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64088;MM64088;C#CC(CO)NN=CCC;WGJCUAVYRPVVAQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64089;MM64089;CN(N)C(=NO)NNC=N;BZOLYQYUGXTPGY-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64090;MM64090;C=NNC(CO)C(C)CF;NUPZGRKWJGOVNA-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64091;MM64091;C#CC(O)C(CC=C)NC;QHCQGUPLXZTTEW-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64092;MM64092;CNC(C#N)C(=O)C(C)C;NHBWGQIPZFQPDI-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64093;MM64093;CN(C)C=NNC(=O)C#N;AXQAWPZDRUBKNH-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64094;MM64094;CN(O)C=NNC(=O)C#N;HODCCZYXSAZIAF-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64095;MM64095;CN=C(NC)OCC(C)N;QYKPVSZEGIHZKJ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64096;MM64096;C=NN(C=NC)CC=O;DEZDKDGWUKRHQA-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64097;MM64097;C=NOCC(=CCO)OC;YAPDKFWQQIKESB-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64098;MM64098;C=NN(C)C(=N)N(C)C=N;QZUOTGLZVRKKAK-UHFFFAOYSA-N;141.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64099;MM64099;C#CC(=C)C(=C)N(N)C=N;UIPPNSZBHOWSQP-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64100;MM64100;C=CCNC(C)C(N)CF;MFPUNKDARNRDDK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64101;MM64101;CNCC=C(F)C(C)NC;YDPYUUBSFIIKIH-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64102;MM64102;C#CC(O)C(N)CCC=C;QULFMPJJGNFKEV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64103;MM64103;C=CC(C)(F)C(O)CN;CBPOZAHVJNZHNW-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64104;MM64104;CON=CC(=CCF)CN;MFZNWRMHLRRZAY-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64105;MM64105;C#CC(=O)OC=CC(C)O;JNNZCNLCOVZCOK-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64106;MM64106;CNCC(=COC=O)CF;RVVLGMHBRRVNOM-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64107;MM64107;C#CC(=O)ON=CC(C)O;GWHZXWSSAFCABR-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64108;MM64108;C#CC(=COCC)NC=N;AOYAVUAMMYMFKR-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64109;MM64109;C=CN(NC)C(N)=O;MUGKPVHZJNDREA-UHFFFAOYSA-N;115.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64110;MM64110;CCNN=CCNC=O;YZQXPGVAWZXYTO-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64111;MM64111;C#CC(=O)NN=CN(C)C;MPEDLKKUUQIDSM-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64112;MM64112;CC(C#CCC=NN)CO;FBHJFTXISJZOCG-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64113;MM64113;C#CC(=O)NN=CN(C)O;IYCLRHSWFBDILE-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64114;MM64114;C=CC(C)N(C=N)C(C)=N;FUXMQIXFDKZLFX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64115;MM64115;C#CC(=O)NC=NN(C)C;OYMMGTNGFMJHNS-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64116;MM64116;C=C(C)C(CN)C(=O)OC;IDEXEAJWPPPXOO-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64117;MM64117;C#CC=CC(O)C(=N)NN;QYXCGYHUDDIZIE-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64118;MM64118;CNN=C(C)CC=O;OSBCRQCMTOZXIN-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64119;MM64119;C=C(CNC)CC(=O)C=O;AGMYPOAWHQIFRQ-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64120;MM64120;CNN=CC(C#N)=NNC;TXJNEFQBKJWIQX-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64121;MM64121;C=C(C)C=CNC(=O)CO;DMCQFVRXIIQYLM-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64122;MM64122;CC(N)C=C(F)C(C)O;FXZPIRMXRDFRNX-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64123;MM64123;C=CN(C=NN)OC=O;ZQPHPFBQEVHLSF-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64124;MM64124;C=NOC(=NC=N)NC;RRYWAZRCKDYVCX-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64125;MM64125;C=NNCCNN=CCF;WQIUBQROIDPUDI-UHFFFAOYSA-N;146.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64126;MM64126;C=C(C)C=NNC(=O)CO;DTZMHIFAHORJKM-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64127;MM64127;C=C(C#CC=O)C(N)=NO;IUSFHTJXQGRGGD-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64128;MM64128;CCC(=O)NN=CC(N)=O;NHWJHFHVASYGSV-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64129;MM64129;N#CCCCCNNC=O;GWAWOFNJFNELJE-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64130;MM64130;CCNN(C)C(=O)NN;JYMPAHOGIPPZSO-UHFFFAOYSA-N;132.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64131;MM64131;CNNC(=O)C(C)C;DQRZWBGAZSKOIZ-UHFFFAOYSA-N;116.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64132;MM64132;C=CCC(C)C(=O)NNC;NIYAKXUKGIKEJN-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64133;MM64133;C=CC(O)C#CCNN=C;BXWJUFPFCBVTTE-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64134;MM64134;C=C(C)C=NNC(=O)NN;ZLAGASIVBZIPGY-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64135;MM64135;CNC(=O)NN=CC(C)=O;MAIBXGVSVMLALG-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64136;MM64136;C#CC(CN)C(C)(O)C=C;QUZSXHQHZGNMNL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64137;MM64137;NCC1(O)CC1N;ZPTZXNIQDMAXMK-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64138;MM64138;C=C(CF)N=CNC(C)=O;WSIZWDACENNDET-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64139;MM64139;CNCC(C)(CO)OC;TUULBCGMQONMNS-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64140;MM64140;CCOC(C)(CO)CNC;QCVSQQLCDWGHLA-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64141;MM64141;CC(N)(CO)CO;UXFQFBNBSPQBJW-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64142;MM64142;C#CC(OC)C(=N)NC=C;GFOJQXYZMIBCIM-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64143;MM64143;C=C(CO)OC=CC(C)=O;DQFBVDMJYQRYJQ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64144;MM64144;C#CC(O)CC(C=C)=NN;SPBUOYWYTPIFIX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16509;MM16509;C=C(CO)OC=CC(=O)O;PFHTVXLVAQXHLU-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64145;MM64145;C=C(C=CF)N(C=N)NC;UFKAFRWCELARMX-UHFFFAOYSA-N;143.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64146;MM64146;CC=C(CO)N=C(C)NN;CGZLVXGMPYIGBQ-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64147;MM64147;C=CC(C)(O)C=NN;LASLTDWVASHORS-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64148;MM64148;C#CC(CN)(CO)C(=C)C;WHRQMCGKFUPRKW-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15474;MM15474;C=C(C)C=NOC(=O)NO;WHAYKJOIMHSHCX-UHFFFAOYSA-N;144.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"3-(prop-2-enoylamino)prop-2-enoic Acid";MM03438;C=CC(=O)NC=CC(=O)O;JJGUWVXSGMRPHL-UHFFFAOYSA-N;141.13;-0.11;53958477;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64149;MM64149;C=C(F)C=CNC(=O)C=O;UJGLODUKGKIRRJ-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64150;MM64150;C=NN=CC(O)CNN=C;AFGJRSGUWHTDOE-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64151;MM64151;CNN=CCC(N)=O;SBADLUAQISZDPS-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64152;MM64152;N#CC(N)=NN=CC(N)=O;RWQHDVKHMLMKRQ-UHFFFAOYSA-N;139.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64153;MM64153;CC(=CF)C(C)(N)CO;GRXRBSKOWRJSIX-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64154;MM64154;N#CC(=O)NN=CC(N)=O;SUGGCTAHKYKPOI-UHFFFAOYSA-N;140.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64155;MM64155;C=CC(O)C=NN;ZCAPEMDOJQMTTP-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64156;MM64156;C=CN(O)C(=NN)OC;KLZWSRNZJRADRV-UHFFFAOYSA-N;131.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64157;MM64157;CC(=N)N=CNC(=O)C#N;ANQLERQFRZIZLR-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64158;MM64158;N#CC(=O)NC=NC(N)=O;YMSAZCZKSXALPO-UHFFFAOYSA-N;140.1;-1.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64159;MM64159;C=C(CNC)C(CC)=NN;KWZIYZBZRZAHAI-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64160;MM64160;C=C(C#N)OC=CC(N)=O;XZSPVETXRJGISC-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64161;MM64161;C=CCNCC(=C)C;SSDSFZAMDHDNEJ-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64162;MM64162;N#CC(=O)OC=CC(N)=O;RHULTNFAPISMEW-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16104;MM16104;N#CC(=O)OC=CC(=O)O;IDVMIVUWMFPILX-UHFFFAOYSA-N;141.08;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64163;MM64163;CC(=O)C=NOC(=O)C#N;GFRZZAWGKZHPJK-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64164;MM64164;C=C(C=NN)CNC;PBOGAKMSFQURHQ-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64165;MM64165;N#CC(=O)ON=CC(N)=O;KSTFOJAGXHFQTD-UHFFFAOYSA-N;141.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16205;MM16205;C=CC(=O)ON=CC(=O)O;SALNKTIRYXGVTE-UHFFFAOYSA-N;143.1;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64166;MM64166;CN=CN(O)C(=N)C=O;KGOKBJLUWJJQEQ-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64167;MM64167;C=NNCC(F)(CC)CO;UOWNWFOVQYETQM-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64168;MM64168;C#CC(=O)NN=CC(C)=O;HRKCPGKBGAECFG-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64169;MM64169;CC(=O)C=NN=C(N)CO;KDQFKKFFGBWQPE-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64170;MM64170;C#CC(=O)NN=CC(N)=O;IQFGZORZJKUZLZ-UHFFFAOYSA-N;139.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64171;MM64171;C#CC(=O)NN=CC(=O)O;JGUISAJLDKCDLL-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15386;MM15386;C#CC(=O)NN=CC(=C)F;BCUBLQBMNOPGQN-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64172;MM64172;C=CC(NC)C(=C)C;XFBAFEFSZANDIA-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64173;MM64173;C#CC(=C)N=CNC(C)=O;GJLCIQFFSDSVIG-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64174;MM64174;COCC(C)(N)COC;VYTRXLKAYKOFKL-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64175;MM64175;C=C(CO)OC=CC=NN;RFEKIKZRURXVLP-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64176;MM64176;C#CC=CC(C)(N)CO;PEFQYQSADDCPFT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64177;MM64177;C=CC(N)(CN)C(=C)F;BMKRELRFRIUGMR-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64178;MM64178;CN=C(NO)ON=CNO;NJXKGXVPPWBZCJ-UHFFFAOYSA-N;148.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64179;MM64179;C#CC(=O)OC=CC(N)=O;QJTDMXMPVNSRPI-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16178;MM16178;C#CC(=O)OC=CC(=O)O;JTFAKDOXULXFAO-UHFFFAOYSA-N;140.09;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64180;MM64180;C#CC(=O)ON=CC(C)=O;NYWVIFMXKSRBNW-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64181;MM64181;CCC(CN)OC(C)=O;MZHGKGKKYRTZRN-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64182;MM64182;C#CC(=O)ON=CC(N)=O;SQAQGTLDBAOFGN-UHFFFAOYSA-N;140.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64183;MM64183;CC=NOC(=NC)NO;BZTKUGWAXRGBIR-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64184;MM64184;CCN(C)CC(O)CCF;WLSIVPDLHVEFGQ-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64185;MM64185;CC=C(C)C(NC)C(C)O;PUCVNMOACOMLIH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64186;MM64186;CC(=NO)OC=CC(C)O;ZQFRLMLNWODFBC-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64187;MM64187;CCC=NOC(=NC)NO;ORTMVSIBDXKMFE-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64188;MM64188;CC=CN=CNN(C)C;LSBANSDIYFBIRL-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64189;MM64189;N=C(N)C#CC#CC=O;BXSWPIOYBUVAAD-UHFFFAOYSA-N;120.11;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64190;MM64190;C=CNC(=N)C(=N)NO;AVMKPGLDGWWMLF-UHFFFAOYSA-N;128.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64191;MM64191;CCCOCCC(=N)NO;DRVMACSZTAXXSG-UHFFFAOYSA-N;146.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64192;MM64192;CCC(N)C(=COC)CO;RHUWETOFWWEFHF-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64193;MM64193;C=NN=CC(=C)CNC;XBRUVRCIFQZZJD-UHFFFAOYSA-N;125.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64194;MM64194;CN(O)C(C#CCF)=NN;ZTZJHSIAUHDWQZ-UHFFFAOYSA-N;145.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64195;MM64195;C=CC(C#CC)C(N)CO;YTXXMHCECKEJRF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64196;MM64196;CC(CC=CC(N)=O)=NO;DXHXMLZPIXTNJV-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64197;MM64197;CC(CC=CC(=O)O)=NN;IGDMFSUNQYKVID-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16554;MM16554;CC(CC=CC(=O)O)=NO;YWKIVAMZUCQKDI-UHFFFAOYSA-N;143.14;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64198;MM64198;CC=C(C)N=CNC(C)=O;YUSRBCRYOMKOPO-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64199;MM64199;C#CC(=N)N(C)C(C)=N;HKNWVMORRRTABG-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64200;MM64200;CN=C(C)N=CNC(C)=O;ZLUILQORMQWSQR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64201;MM64201;NC(CO)CC#CCCF;NEDZRTGAQOAKFP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64202;MM64202;CC(=O)C=NOC(C)=NO;URXQMKMEDBXDTB-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64203;MM64203;C#CCC#CC(CN)CO;JMQOETNJCPEJHI-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64204;MM64204;CC=NOC(CC)CO;OXSYPNWGJBCKSV-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64205;MM64205;CC#CC(CO)NCC#N;QCUDIYJUNGZMKN-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64206;MM64206;C=C(CO)CNC(C)C;SOWITAYRZKYPFI-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64207;MM64207;CON=CN=CN(C)O;YTQUCVIVCWJDFZ-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64208;MM64208;C=C(C(=N)N)C(=O)C#N;TVVZQMFHLJEMPD-UHFFFAOYSA-N;123.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64209;MM64209;CN=C(C=O)N=CNO;QLOLAHSTHKOULL-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64210;MM64210;C=CC(O)CC#CC(C)O;GRIJPEQBUWTNHY-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64211;MM64211;CC(O)C#CCC(O)C#N;HGQWRLJSXYSMCQ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64212;MM64212;C=C(C)C(F)=CCNC;WMDBBEVQUQYFDU-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64213;MM64213;C#CCN(CCO)N=CC;SUIIUIDQKVUOCE-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64214;MM64214;CC(O)C#CCN(C)C=O;RDOHIIJHPCAMSD-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64215;MM64215;COC=CC=NNCCO;SGNMMYBKPAVYBX-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64216;MM64216;C=CC(N)C=COC=O;OJSVDFFBNYIHJY-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64217;MM64217;C=CCC(ON=C)C(N)=O;ARPRZBTVLNHZEE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64218;MM64218;CCCC(CN)OC=O;YSYMKPZCMCVMKV-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64219;MM64219;COC=C(C=NN)CCO;XHWAABBXNYIVKJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64220;MM64220;C=C(CO)C(C)(CN)CF;OHUUUWMOLWATTB-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64221;MM64221;C#CC(O)CC#CC(C)O;XWVJTHCRVFOKAS-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64222;MM64222;C=NNC(C=O)COC;YQTFDBLXZSEGQM-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64223;MM64223;CN=C(CCF)NC=N;YFORIEHFYBBSSO-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64224;MM64224;C=CC(CN)C(=O)OC;NLDNLMBKJRCYTJ-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64225;MM64225;C=C(C)C#CCC(O)CO;ODJZMGVFNAGKRV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64226;MM64226;CC#CC(N)(CF)CNC;HKQJQSBHBRBZPO-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64227;MM64227;CC(C=O)CC#CC(N)=O;WGBVBUGOJMXJRK-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64228;MM64228;CC(C#N)CC#CC(N)=O;ZEWZQRGXFUTDPW-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64229;MM64229;C=CC(O)CC#CC(C)=O;WFOHHNYRZMOUIS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64230;MM64230;CC(=O)C#CCC(O)C=O;XVLRJNMYYIAVAJ-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64231;MM64231;CC(=O)C#CCC(O)C#N;RYIVCZKIBJXGKV-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16329;MM16329;C=CC(O)CC#CC(=O)O;NFJLWIQZTIBQFQ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64232;MM64232;N#CC(O)CC#CC(=O)O;SHDUDEPHXTVQIP-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64233;MM64233;C=CC(CO)C(C=C)NC;WRAPFQGWGVQYHU-UHFFFAOYSA-N;141.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64234;MM64234;CC(CO)C(N)C=CF;TXRVXOHXNASAMF-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64235;MM64235;CN(C=O)CC#CC(=O)O;MDMSWPLPASGVKR-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64236;MM64236;C=NNC(=NN)NC(C)=N;HZDRVXWGKOLMHW-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64237;MM64237;C=C(NC=N)OC=CCO;ZTXMMWQDLSBVOE-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64238;MM64238;CN(CCO)CCCCF;HLXGTDGBJJNRTD-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64239;MM64239;C=C(F)CCNCCO;FXUPHQDUEBPLLT-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64240;MM64240;C#CC(O)CC#CC(N)=O;YBDPQJDMZGWKQX-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64241;MM64241;C=C(C)N=C(CCO)NN;RHRHZDRXAOBALK-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64242;MM64242;N#CC(F)C(=N)NCC=O;RWUBVIGKNBBIJK-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64243;MM64243;C=C(CO)CC#CC(C)O;XRMSMXMEQOIUPS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64244;MM64244;C=NOC(C)C(C)=O;UVRLWOYNYCDVMS-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64245;MM64245;CNCC=C(CCO)OC;HXKOWROXBWVQSI-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64246;MM64246;C=C(C)C(=N)N=CN(C)C;FZSIINWMJHCOOG-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64247;MM64247;COC(=O)CC#CC(C)O;DCZDLSJOHASPSP-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64248;MM64248;CC(O)C#CCC(=O)C=O;WLUHUSTZGBFNRJ-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64249;MM64249;C#CC(=O)CC#CC(C)O;XATXTOYKDJNBFB-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64250;MM64250;CC(=O)C#CCC(=O)CO;UCCZQOOHCVATOS-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64251;MM64251;CCC(=O)CC#CC(N)=O;DBUGNIFBTNCAIU-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64252;MM64252;COC(=N)N(C)CC(C)C;MYGPOJRWPVZSEF-UHFFFAOYSA-N;144.22;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64253;MM64253;C#CC(C)=CC(N)CCO;BBMRRAQSSODHGH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64254;MM64254;CC(=CF)C(N)CN(C)C;LHNXBLLRTJKOJW-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64255;MM64255;CNC(=O)CC#CC(C)=O;GDKWEVFVONSIDK-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64256;MM64256;CNC(=O)CC#CC(=O)O;AYIASSNVQANAJU-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64257;MM64257;N#CCC(C#N)OC(=N)N;VBTHJSQSNHXXFM-UHFFFAOYSA-N;138.13;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64258;MM64258;C=C(CC#CC(N)=O)OC;QVHOKAADEGKNJG-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64259;MM64259;N#CC(=O)CC#CC(N)=O;XPXMSPDUEVHVDX-UHFFFAOYSA-N;136.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16294;MM16294;C=CC(=O)CC#CC(=O)O;DLUIZIFIUHIOMS-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16227;MM16227;O=CC(=O)CC#CC(=O)O;QNINGGCMJDJMBA-UHFFFAOYSA-N;140.09;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16195;MM16195;C#CC(=O)CC#CC(=O)O;IEUHXEYBEHZFAB-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64260;MM64260;CC(CC#CC(C)O)=NO;QXIWWWSWPKMNLD-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16240;MM16240;O=C(O)C#CCC(F)=CF;AOSLCDFAQUQIKX-UHFFFAOYSA-N;146.09;1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64261;MM64261;CC(CC#CC(=O)O)=NN;UXUOBWXCSAIFRK-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64262;MM64262;C=C(C=NOCC)CNC;YBNXRACIZRDUPA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64263;MM64263;C#CC=NNC(C)=NNC;LCVABWQVWPMULI-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64264;MM64264;CC(CN)OC=CCCO;DYGMUNBEFIUORM-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64265;MM64265;C=C(C=NOC=O)CNC;DXMGNUFPXKWVBV-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64266;MM64266;CC(=O)NC(C)(C)C(C)N;BVKAWQDIQNKTKT-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64267;MM64267;CC(=O)NCC(N)C(C)C;SZRDZAJPZZLTPG-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64268;MM64268;CNC(CC=O)CN(C)C;CRKOLWXVMVRCJJ-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64269;MM64269;C#CCC(N)C#CCNC;DSWPKUPZXIMLNS-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64270;MM64270;C=NNC(=N)NN;GVJIUSJHFKETRW-UHFFFAOYSA-N;101.11;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64271;MM64271;C=C(CF)C(C#N)C(=N)N;XPSBFPCTHPAECS-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64272;MM64272;COCCN=C(C)NC=N;QHGKTWHSFKNINV-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64273;MM64273;C=CC(=N)NC(=N)CC#N;YHGYFJVDRCQBCT-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64274;MM64274;CC(C)ON=CC(O)C#N;PJTXESOUFFJKRP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64275;MM64275;C=C(NC=N)C(F)=COC;IJCZTQAYROUILC-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64276;MM64276;CC(O)CC=CN(C)C=O;RQVRCPDVLJFDKU-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64277;MM64277;C=NN(C)C(=N)NN;XPXXSCGGEFSJJQ-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64278;MM64278;CC=NN=CC(N)C(C)N;XTWHVRFUPRWDAJ-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64279;MM64279;COC(C)=NNCC=NN;XTYMMDIVVQQMEL-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64280;MM64280;CNN=CC(CF)=NOC;MYUJDDXIGWCKDL-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64281;MM64281;C#CCNN=CCON=C;UVFYUJKFCRSZCA-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64282;MM64282;C=NNC(C)C(=O)OC;KVBXQDKZHMHDSA-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64283;MM64283;N#CCCNNC=NO;BSDBNZKDNGXAAM-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64284;MM64284;CC(C)OC=CN(O)C=O;LBBDLBRLFBKTQP-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64285;MM64285;C=CCC(CNC)NN=C;RJQHDTXHUOPWFE-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64286;MM64286;C=CC(C)(NC)C(N)CF;SGQATLRYNGXBMT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64287;MM64287;CNC(C)C=C(C=O)C=O;AXOHRIGQULKVBC-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64288;MM64288;CN=C(C#CC(=N)N)NN;SPRDSVSXMHUYNL-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64289;MM64289;C=C(CN)C(C)=NNCC;SSLGUBACVQWHKJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64290;MM64290;C=NNC(=O)CN(C)N=C;ARKJEAOZRFLNJI-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64291;MM64291;COC(=N)NCCCC#N;ODIZSCFKEDOCOP-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64292;MM64292;C#CC(=CN=CN)C(C)=O;RKZIMQWLZLHUAY-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64293;MM64293;C=CC(N)C=COCOC;FFSAKOKEDPABKQ-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64294;MM64294;C#CC(CC#N)C(C)NC;UPWSUZYGCHMDDM-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64295;MM64295;C#CC(O)C=CC=NN;UQGKRRWIBSQCCB-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64296;MM64296;COC(C)C=CNC(C)=O;OJLWWCKZHVFMRB-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64297;MM64297;C#CC(C)(O)CC=NN;VEQNFGQEHIMIMR-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64298;MM64298;C=C(C=NN)CC#CCO;AOSAGNPLVXBPJE-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64299;MM64299;C#CC(N)=NCCC(C)=O;RHIHXAHYCXSHNW-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64300;MM64300;C=CC(=CCNC)C(C)=O;XKMHBAALPAVPLW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64301;MM64301;CCC(CC(N)=O)=NNC;CZQKFVJRJQQPIY-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64302;MM64302;C#CC(=NO)C(C)=CCN;CESBXNOMUYPZNJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64303;MM64303;CC=CC(O)C=NNCC;MIPKEFKROVKETK-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64304;MM64304;C=NNCC#CC(C)O;CZWKYBYBXRMNNJ-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64305;MM64305;CC(=O)CC=CC(O)C=O;QVHBMZXJMUPQCH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64306;MM64306;C=C(CN)C(CC)=NNC;PZFNTQPSPJFHGX-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64307;MM64307;C#CC(CNCC)NCC;ZPQINFHNKGYUTK-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64308;MM64308;CC(=O)NC=CC(C)C#N;OGVSHSYIINSNMB-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64309;MM64309;C=CN(OCOC)C(C)=N;VZGJGFVCGIRDGP-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64310;MM64310;N#CC(O)C=CNC(N)=O;QCDYIRNJKVBUFY-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64311;MM64311;CC=C(C=NNCC)CN;GQSPXXBIHZBCRH-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64312;MM64312;CC(C#N)C=NNC(N)=O;VCPIVVJTDZOINL-UHFFFAOYSA-N;140.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64313;MM64313;C#CC(CCN)=NNC=O;AZVNSFJSUTYBLF-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64314;MM64314;N=CNNC(=NO)NN;YZYADTQGUVTJSH-UHFFFAOYSA-N;132.13;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64315;MM64315;C=CC(O)C=NNC(C)=O;NJVKSZBEVOYOSE-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64316;MM64316;CC(=O)NN=CC(O)C#N;GCTXMPIGAOTATJ-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64317;MM64317;C=CC(O)C=NNC(N)=O;KSWWKJFDYCMSQX-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64318;MM64318;N#CC(O)C=NNC(N)=O;SURPGVBLUREGTE-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64319;MM64319;CNN=C(C)C(C)C(N)=O;VFNCHIBJVXNKQB-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64320;MM64320;CC(=O)OC=CC(O)C#N;HBSKBZJRDLSVBC-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64321;MM64321;CC(C#N)C=NOC(N)=O;YZXISCJRPGUSLN-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64322;MM64322;CC(=O)ON=CC(O)C#N;CSRUANYAYVIINA-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64323;MM64323;CNC(=O)C(=N)N=CNO;ACKWQJQBAXHJQT-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64324;MM64324;N#CC(O)C=NOC(N)=O;UJZVGVJDJZLNPO-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64325;MM64325;C=CC(CN)C(=O)OCC;YFHUUAXNUYWOKM-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64326;MM64326;C=COC(=O)C(C=C)CN;JFYUTYORAOKEIT-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64327;MM64327;C#CCNNC=NC=CC;GBIZYHIRLBAWRR-UHFFFAOYSA-N;137.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64328;MM64328;C=NN=C(CO)CNN=C;ODBLNPXNBBXGNG-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64329;MM64329;C=NNC(C)(CO)C(N)=O;FZIWFGAIWXEZBX-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64330;MM64330;CN=C(NO)ON=C(C)C;WTGAIEUYPIQVBT-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64331;MM64331;C#CC(C)(O)C(C)N;VNVBKOQHKRYGSJ-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64332;MM64332;CC(=O)NN=CN(C)C=O;SOQSQTYRMXCVLQ-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64333;MM64333;CCC(C)(F)C(O)CN;RLBSIKKTUTYURF-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64334;MM64334;C#CC(C)(C#CCO)CN;VSXXODLJCNFRNA-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64335;MM64335;C=NN=CC(F)C(O)CN;VUCSWWSDPFFAFU-UHFFFAOYSA-N;147.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64336;MM64336;CNN=CC(C)(O)C(C)N;UAUGEIIRVDZDEI-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64337;MM64337;CC(C)=CC(F)C(O)CN;DTISERSLGMZUCQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64338;MM64338;C#CC(C=NN)C(O)CC;FSWLZCMPNCOOKB-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64339;MM64339;C#CC=CC(F)C(O)CN;UHNGMFLHNUAWIO-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64340;MM64340;C=NN(C)C=NNC(N)=O;HQSMLPRVSGXCTK-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64341;MM64341;CC(=O)OC=CN(C)C=O;HVZSHACLGNGOSN-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64342;MM64342;CC(CN)OC=O;XXXIKSAJQGJOFY-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64343;MM64343;C=CN(C=N)C=N;RDMQUOOZNSRKAC-UHFFFAOYSA-N;97.12;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64344;MM64344;CC(=O)OC=CN(O)C=O;WDVVIGIULDXEPK-UHFFFAOYSA-N;145.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64345;MM64345;CC(=O)ON=CN(C)C=O;PCBKBIJUQQUJCC-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64346;MM64346;CC(C#N)OC(=N)N;IKLQAZLAOFZRFG-UHFFFAOYSA-N;113.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64347;MM64347;C=C(F)C(=C)CNC;FVBPDFGOQOLEDN-UHFFFAOYSA-N;115.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64348;MM64348;C#CC(CN)NCC;NNAYLLBVFJGSAX-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64349;MM64349;C=CC(N)CC(O)C#CC;SGBAFDPUHQQGPK-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64350;MM64350;C#CC(CN)C(O)C(=C)C;FNHKFFVXBYKBDS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64351;MM64351;CCN(C)N=CC(C)O;UXWIVKXGKNQSCS-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64352;MM64352;C=NNCC(C)(C)NC;QQGKQFYVEIWYOA-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64353;MM64353;CNCC(C)(C=O)OC;DJPHFSWGPJKJOL-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64354;MM64354;C=CC(C)(CN)OC=O;BYYYSSZQXINTAT-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64355;MM64355;C=C(C#CCO)NC=NC;RTHOLZWYSKIFOC-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64356;MM64356;CN(C)CCCC(O)CF;RGRZXDPAFNHWHG-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64357;MM64357;C#CC(O)C=NNC(N)=O;USMAPIAMMLAMTM-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64358;MM64358;CC#CC(C)(CN)NC;SQUWIPFPYLRGGL-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64359;MM64359;CCC(=O)OC(C)CN;GWBFBGQBKYJNHY-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64360;MM64360;C#CC(O)C=NOC(C)=O;WGZDOQNZLVUSBY-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64361;MM64361;C#CC(O)C=NOC(N)=O;JNMVWJNOZBGJKM-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64362;MM64362;COC(=CC(C)N)C(C)O;NTSWFNXXBKUSLY-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64363;MM64363;C#CC(F)C=NOC(N)=O;YIUZHMZZKKTKPC-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64364;MM64364;COC(=O)OC(C)CN;DCDLVHXMSZCDBY-UHFFFAOYSA-N;133.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64365;MM64365;CC(F)CC=CC(=O)CO;KURYKWREJLOITE-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64366;MM64366;C#CC(=O)OC(C)CN;JNYANFYVNNBUCT-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64367;MM64367;CON=C(C=C(C)N)NO;BGIRVORNWLNQDC-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64368;MM64368;NN=CCO;ARFDSUGUEVJEDK-UHFFFAOYSA-N;74.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64369;MM64369;CCOC(=CC(C)N)CO;UVPNSJPRIKCRML-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64370;MM64370;C=C(C=O)CNC(C)C;IPJDVEUMOBLHIE-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64371;MM64371;C=NNC=NCC(=O)CF;NGEWOLUFXQQPCI-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64372;MM64372;CC(C)ON=CC(=O)CO;KLXTZCWEAIKJJK-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64373;MM64373;CN(C)C(=N)C#CC=O;TXXKNYYOIMHOAK-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64374;MM64374;CC(C#N)(C=O)N=CNO;OJCWDAMDPKQFIA-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64375;MM64375;C=C(F)CC=CC(=O)CO;OCQBUCMTUDQIRW-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64376;MM64376;C#CCNN=CC(C)CO;LCBWYNBHNRXKNJ-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64377;MM64377;CCC(=O)C=CNC(C)=O;LCXODXZOFKYOKU-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64378;MM64378;CCC(=O)C=CNC(N)=O;JHQYDWQQOKVBGE-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64379;MM64379;CC=NOCC(=N)NC;JCFWRXGMVAJGHD-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64380;MM64380;COC(=O)C=CNC(C)=O;ZXKCZLZDERMMQB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64381;MM64381;C=C(C=NNC(C)=O)CO;FAWLNXKLTGOZKU-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64382;MM64382;C=C(C=NNC(N)=O)CO;XKPIQIOXXUMLLQ-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64383;MM64383;C=CC(C)(CN)C(O)CC;GXKLORSAKDKAPV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64384;MM64384;C=NN=COC(C)CN;CGOQCJACWVOFJH-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64385;MM64385;CNC(=O)C=COC(C)=O;QDHVMPFRQHEUQH-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64386;MM64386;CC(C)(O)C(C)(CN)CN;ZVVNJIKWKITLBF-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64387;MM64387;CC=CCC(N)(CN)CO;OHIAGYBQEYBKQB-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64388;MM64388;C=C(C=NNCC)CN;GGSLMCOICRIMOO-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64389;MM64389;C=C(C=NOCC)CN;DTYBDKHBYXRVOD-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64390;MM64390;C=C(C)N=CNC(=O)CF;DRUDLVREEKVANV-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64391;MM64391;CC=C(F)C(CN)NC;KSZGPTXEAIGPJK-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64392;MM64392;CCC(N)(C=COC)CO;XWKHOLVBMNNMOU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64393;MM64393;C=NNC(C)(CF)CCO;MCCXIBVUAKPOQM-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64394;MM64394;C=CC#CC(C)(CN)CO;PNAXVVHTVAPRAE-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64395;MM64395;C=C(C)N=CNC(=O)OC;IQGBFWHACJUVHB-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64396;MM64396;C#CC(=CC)C(C)NC;VTWLHYCBKJSZNZ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16189;MM16189;N#CC(=O)C=CCC(=O)O;XLPJSBBJLVMWFF-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64397;MM64397;CC(N)(CN)CO;RLTZVHMKZWOFPG-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64398;MM64398;CCCNC(CO)CO;ACLFGOBMRKJLQU-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64399;MM64399;C=C(C#N)C=NNC(N)=O;CNOYYELLHXTMJA-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64400;MM64400;CC(=O)NN=CC(=O)C#N;HLUHOCSPKPBRCW-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64401;MM64401;N#CC(=O)C=NNC(N)=O;QDEGMKPONWXJQG-UHFFFAOYSA-N;140.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64402;MM64402;CC(=O)OC=CC(=O)C=O;MCVCEAWVMQEDQJ-UHFFFAOYSA-N;142.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64403;MM64403;C#CC(C)(C=O)NC(C)=N;ASHKQIQDROLDFO-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64404;MM64404;C=C(C#N)C=NOC(N)=O;ZYJBUTRBXBXTJC-UHFFFAOYSA-N;139.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64405;MM64405;CC(=O)ON=CC(=O)C#N;INONCRGWSSFDPI-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64406;MM64406;C#CC#CC(C)(N)C(C)N;JHVVMEBSWHMYMO-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64407;MM64407;NC(=O)ON=CC(=O)C=O;ZZFZJTWTGUKVCQ-UHFFFAOYSA-N;144.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64408;MM64408;N#CC(=O)C=NOC(N)=O;RLLUWYOBXBIAER-UHFFFAOYSA-N;141.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64409;MM64409;C=CC(C)=CC(C)(N)CO;LCJAEAAENSPCTQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16410;MM16410;C#CC(=O)C=CCC(=O)O;VUBWQFSEKMBTBK-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64410;MM64410;C=C(F)C=CC(C)(N)CO;GWNSALHCOSTVJP-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64411;MM64411;C#CC(=O)C=NNC(C)=O;ISANYQULNNPDKZ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64412;MM64412;C#CCC=NNCCCO;CSOOOHHRGOUSRS-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64413;MM64413;C#CC(=O)C=NOC(C)=O;QGVWLRAZEPSXJX-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64414;MM64414;C#CC(=O)C=NOC(N)=O;DNQQIRPQNBIPME-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64415;MM64415;CNCC(C)(CF)CC#N;SJKOFIYRBZWCHH-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64416;MM64416;C=C(CO)NC(=N)C=CF;WGEJRARENHFMJH-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64417;MM64417;CN=C(CC=CCN)NO;WHMCEQNJNKQTFW-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64418;MM64418;COC(CC=NN)=NN;AKRYEIMUWQVJLN-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64419;MM64419;COC=NNC(=N)OC;IBFJFFWHGMDDKK-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64420;MM64420;CN1CC1C=O;NHYQWZFYOWKSQH-UHFFFAOYSA-N;85.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64421;MM64421;CC(=O)ON=CC(C)=NO;VYENUDOLMFGHHR-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64422;MM64422;CC=NNC=NNCC;QASLMUSSSZZYNH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64423;MM64423;CC(C=NOC(N)=O)=NO;RXVAAMJVYGYDIF-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64424;MM64424;NN=CC(=NN)NC=CF;CBWCXNQENBVCDZ-UHFFFAOYSA-N;145.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64425;MM64425;CC(C)(N)CNN=CCO;GPKXTFWIZBJCKC-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64426;MM64426;CC(O)CC#CC(F)CO;MNDDVZLVOKFKCG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64427;MM64427;C#CC(N)(C=CF)C(C)N;BROAXMOCHTXSHA-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64428;MM64428;C=C(C)C(=O)OC(C)CN;SAHGPVZDFMUYLY-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64429;MM64429;C=C(C)C(C)(CN)CO;GGYARHOQRBYYJQ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64430;MM64430;C=C(C=NNC(C)C)CN;VGTGERULFPTMFK-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64431;MM64431;C=NN(C)CC(N)CCC;UUEGADTYAOVCNZ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64432;MM64432;C=CCC(=O)OC(C)CN;RQPDEELRYSQSLP-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64433;MM64433;C#CCC(=O)OC(C)CN;LRNCESCZGUIHPE-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64434;MM64434;C=CC(=NN)N(C)N=CC;GPDMQOLYAJRHNE-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64435;MM64435;CC(C)C(C#N)OC(=N)N;JCMZHQLOHXTRLS-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64436;MM64436;C=CC(CC)(CN)CO;BXYOBVPVLYQCDX-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64437;MM64437;C=NNC=CC(C)=O;GBPOUROKCSNMTB-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64438;MM64438;C#CC(O)C#CCC(C)O;ITQDBINVKVGMKL-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64439;MM64439;C#CC=C(CO)C(C)N;ZXKUBUHPTWGAII-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64440;MM64440;N=C(N)C#CC#CC=NN;GQUYQLHOVQUQEO-UHFFFAOYSA-N;134.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64441;MM64441;C#CC(C=CC)C(N)CO;XAPSJNXOHVPNDP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64442;MM64442;CC(C)(C#N)NCC=O;FBPHLIZXEMRVBS-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64443;MM64443;CC(=O)CC#CC(O)CF;GTUZFZDDGDNBEO-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16496;MM16496;CCC(O)C#CCC(=O)O;XLXFEYFGIFDYQP-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64444;MM64444;C=NNC=C(C)C=O;FZSWYZCVHHAANY-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64445;MM64445;CNN=COC=CC=NN;JTTDTVRHHHBYNI-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64446;MM64446;C=CC(O)C#CCC(C)=O;WWAHYAGZRDDDGG-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64447;MM64447;CC(=O)CC#CC(O)C#N;MFOGAZWSRRXLSJ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64448;MM64448;C=CNC=NN=COC;JZLZVKQJGPQVTD-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64449;MM64449;C=C(F)CNC(=N)C#N;HGAFMZAVUCEHCU-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64450;MM64450;C#CC(O)C#CCC(C)=O;ITRSGVMDEBGJMC-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64451;MM64451;C=NNCC#CCOC;PGKJIQVFRYQMJT-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64452;MM64452;COCON=CNCC#N;ACGGSRWSBMZXDS-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64453;MM64453;C=C(C#CCC(C)O)CO;ZAZLYIZVOLVSKV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64454;MM64454;C#CCNCC(N)C=CC;NJYKITUICCLEKH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64455;MM64455;C=CC(OC)C(=N)N(C)N;KFXAPQZSQBEXFS-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64456;MM64456;COC(=O)C#CCC(C)O;ARECROJGWBVKCH-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64457;MM64457;C=C(CNC)C(F)=C(C)C;LCZYSBIFYMUKPU-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64458;MM64458;C=CCN(CC#N)C(=N)N;WGBYZKMEYYVKGD-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64459;MM64459;CCON=CNC(C)C#N;BWXRUDDPSAPISY-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64460;MM64460;CC(C)(C)N=CNC(N)=O;MGTNPHWMXULMKZ-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64461;MM64461;COC(C#CC(=N)N)=CF;KUGOKVFFMQIWKW-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64462;MM64462;CNC(=N)CON=COC;DWSCWYQQRVMCFB-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64463;MM64463;C#CC(=O)C#CCC(C)O;FHTLCNQYMLPVFE-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16459;MM16459;C=C(C#CCC(=O)O)CO;ZJSPUANXWFIXSW-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64464;MM64464;CC(=O)CC#CC(=O)CO;XNJVRHUHDOKAKB-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64465;MM64465;CCC(=O)C#CCC(N)=O;ASVDZDQOTKBVIE-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64466;MM64466;C=C(F)CC#CC(=O)CO;KQILZSADGSJZLZ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64467;MM64467;CNC(=O)C#CCC(C)=O;VPDVOXCWLBFKLL-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64468;MM64468;C=C(C#CCC(N)=O)OC;XILATLLSIBGWDC-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64469;MM64469;C=C(C#N)C#CCC(N)=O;LFABIQYMJQZLDX-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16378;MM16378;C=CC(=O)C#CCC(=O)O;BXCSUQKNFIFDNU-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16132;MM16132;N#CC(=O)C#CCC(=O)O;UOPPUUWWKAHEKQ-UHFFFAOYSA-N;137.09;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16266;MM16266;C#CC(=O)C#CCC(=O)O;DFRZIUBLMKJCIH-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64470;MM64470;CC=C(F)C#CCC(C)O;XQFRGLSYDVOYMP-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64471;MM64471;C=NN(C)CC=NNC=O;QAFIXMJKCIYHCP-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64472;MM64472;CC(C#CCC(C)O)=NO;HTCSMXMGMFGXTD-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64473;MM64473;C=CC=NOCC(=N)NC;VEKTYXRZOFGCTO-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64474;MM64474;C#CC(O)C(=N)N(C)N=C;NVXXGKVDOVJNNU-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64475;MM64475;CC(C#CCC(N)=O)=CF;HOZBKNXGIOYYAO-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64476;MM64476;CC(=O)CC#CC(C)=NO;XQAKOVRVGCINJS-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64477;MM64477;CC(C#CCC(N)=O)=NO;CNTJTSVKXBVDNX-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64478;MM64478;CC(C#CCC(=O)O)=NO;OXYVKWSATZPTPD-UHFFFAOYSA-N;141.13;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64479;MM64479;C#CC=NOCC(=N)NC;MGQDZPIPEUSMAK-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64480;MM64480;CC(C)=COCC(O)CO;HCHDLGABVJRJAQ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64481;MM64481;C=CCNN=CC(=C)CN;RFWJVGWASNTGJV-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64482;MM64482;CC=C(C#CCN)CNC;YAPVFOWECGNVGS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64483;MM64483;C#CCCCNNC=O;XEFFVRUQFMFRAZ-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64484;MM64484;C=NN(C)C(CC)C(C)N;MQVURTAYBUGSNG-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64485;MM64485;C=CC(=N)N(C=N)C(=C)C;ZIGIOBIRAASBBT-UHFFFAOYSA-N;137.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64486;MM64486;C#CC(=C(C)C)C(C)NC;FEVCIRORIOADKL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64487;MM64487;CNNC(C)=O;OMMMMWZZJZZMLV-UHFFFAOYSA-N;88.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64488;MM64488;CCCCN(OC)C(C)=N;QLSCYYYMRXGVKF-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64489;MM64489;C=CCNCC(C=C)NC;MABDOPXEJBCNQT-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64490;MM64490;C#CCC(CO)NC;KDBCDMOTPYWNRB-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64491;MM64491;C#CC=C(F)C(CN)NC;HAZVCRGQTDAPJA-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64492;MM64492;CC(C)=CCNC(=O)CO;QCYZUTGLCJBCMI-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64493;MM64493;CC(C)=CCOC(=O)CF;GADFOPMLWARILX-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64494;MM64494;C=CC#CC(O)CNN=C;FHKYOQULYIVVLB-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64495;MM64495;CC(C)=COCC(=O)C#N;BLAVMWBHFPDSDI-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64496;MM64496;CC#CCC(N)CO;SCELGGPWOLAFFS-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64497;MM64497;C=C(F)CC(CO)NC;INIVDSATKFKLSE-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64498;MM64498;N=CNC=NCC#CCF;PIHJNMNMADTTBF-UHFFFAOYSA-N;141.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64499;MM64499;N#CC#CCN=CNC=N;VTXGETZQHBRRKI-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64500;MM64500;C=CCCC(=O)NNC;BFJUKUHCQZLDSW-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64501;MM64501;C#CC(=N)NN;GPSQTLGCUWDCFK-UHFFFAOYSA-N;83.09;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64502;MM64502;CC(C)=NN=CC(O)C#N;BAVADUUOKZJYML-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64503;MM64503;C#CC(N)C(C)C;IGJJBZHFJDQVAV-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64504;MM64504;C#CC(=C)C(C)NC;XRIDKWNOXVTGNX-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64505;MM64505;C=CCCCC(=O)NNC;GRMVPFXSXLDFQH-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64506;MM64506;CNNC(=O)CC(C)C;YAECSNSOXLXCHP-UHFFFAOYSA-N;130.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64507;MM64507;CCCNC(=N)OC;KJFMIXSHBGRSRN-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64508;MM64508;CCCCC(=O)NNC;SORDLKVBOITCFJ-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64509;MM64509;CC(C)=CC#CC(=O)NN;SPKMZSHBWNXFFA-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64510;MM64510;CC(C)=CC#CC(=O)NO;XNXOMGZHWMGKOG-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64511;MM64511;C=CC(=CF)CNC;PGVWAJPIPHSEJT-UHFFFAOYSA-N;115.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64512;MM64512;C=NNCC=CC#CCO;USBILPGGSKMKHP-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64513;MM64513;C=C(C=NN)NC(=O)NC;UZSMZTRRYNTQDK-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64514;MM64514;CC=NNCC(=O)C(C)O;LYKBWGRCBAQYKG-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64515;MM64515;C=CC(F)CN(N)C=N;SWZKOGVDILNOJV-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64516;MM64516;C#CCC(O)CON=C;WOUIXOIODPSIGU-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64517;MM64517;NN=C(C#CC(F)F)NO;LNRQXBDLFOHUHV-UHFFFAOYSA-N;149.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64518;MM64518;CC(C)C#CC(CN)CO;WZTBXSLXUPSVBI-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64519;MM64519;C#CC(=N)NCC(=C)F;ZPAQLUPFYHJVRD-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64520;MM64520;C#CCN(O)C=NN;JYHURXFXQUEBNJ-UHFFFAOYSA-N;113.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64521;MM64521;CCCC#CC(CN)CO;YNAYKPZUHCXUNK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64522;MM64522;COC(CN)CN(C)C;CEOSFFFAAWZOAA-UHFFFAOYSA-N;132.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64523;MM64523;CC(=O)COC=C(F)CO;QEBIDDDETOECGZ-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64524;MM64524;C=CCC#CC(CN)CO;CEWCRKNGFKWSNW-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64525;MM64525;C#CC(C#C)NC(C)=N;GJSSGZQDOVYUKP-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64526;MM64526;C=NNCC(N)CCC;MTNJCGXQRMWSTH-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64527;MM64527;C=CCC(N)C#CCN;GDZFZLZVBYWEIC-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64528;MM64528;CC(C)=C(F)C(N)CN;RTSPSGLJNUSTML-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64529;MM64529;CC(=O)CNC=C(C)C=O;KPGCHYHMIMNZKI-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64530;MM64530;C=C(F)CNC=C(C)C=O;AYPGKYBRFHEWBJ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64531;MM64531;C=C(C)CNC=C(F)C=O;KCMWXINTIXAOMG-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64532;MM64532;CC(=O)COC=C(C)C=O;GSJQABKPYDYMHD-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64533;MM64533;C=CC(=O)C(C)N=CN;WELOFRHZPSTGNF-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64534;MM64534;CCC=C(F)C(N)CN;RPJFCRGWXWGXFR-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64535;MM64535;N#CC(F)=COCC(N)=O;QTCYITOPTZEJLG-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64536;MM64536;CCCN(C=NC)NC;NPZSEQAREYQBDY-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64537;MM64537;C=NNC(C)CC(N)CO;DXSDRVKCSWRUQS-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64538;MM64538;CNCC=COC=CCO;AUUVJUDGTCMJRE-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64539;MM64539;C=C(F)C(CN)NCC;NRPPEIDFNNUENC-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64540;MM64540;CC(C#N)=NOCC(=O)O;MKHXLKYPTCOCTG-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64541;MM64541;C#CC(C)=COCC(N)=O;KFSHDMQSJJDATF-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64542;MM64542;CCCN(OC)C(C)=N;AXZPFNJVFNSBTF-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64543;MM64543;C#CC(F)=COCC(N)=O;CWMVUJGDUBOLOI-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64544;MM64544;CC(N)C(=CCO)C(C)F;QNCPIUCUDOXWGV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16352;MM16352;C#CC(C)=NOCC(=O)O;YYZJPLWQPWWAGX-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64545;MM64545;C=C(C)N(C=NC)NC;WQFPLVFTZWOKFZ-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64546;MM64546;C#CC(NC)C(C)NC;ADLJMBIAHRODMF-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64547;MM64547;CC(CO)=NN=CC(C)O;RPQYEIZSYHUNAW-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64548;MM64548;C#CC=CC(N)CN(C)C;UEFXABVSRFQDKR-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64549;MM64549;CNC(=NC=O)NC=N;AMZWLXUFBLTPCB-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64550;MM64550;C=C(C)CC(N)C#CCN;GBTRPFVEOQRFBQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64551;MM64551;C#CC(C)(N)C(=N)NC=C;DLFUFQMIZDADRL-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64552;MM64552;CN(C)N=C(CC#N)NO;IZYFCNZZEGIBEC-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64553;MM64553;CNCC=COCCCO;XIQMSMJJPKJYFK-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64554;MM64554;C=CC(C)(CNC)NN=C;QDRBMJBIZQBMBY-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64555;MM64555;C=CC(C)(NN=C)C(C)N;XPGXIGQIMQBTBD-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64556;MM64556;C=NNC(=N)N(N)C=CC;BQOFDMAGXWTWJO-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64557;MM64557;C=CC(=C)CNCC(=C)C;QAOYWMVGDSLBRI-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64558;MM64558;CCOC(CN)CN(C)C;SVPPLRARFDBPGQ-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64559;MM64559;CCNC(CCO)COC;GDAKLDABEGZQJK-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64560;MM64560;CN(C)CCCCO;QCTOLMMTYSGTDA-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64561;MM64561;CNCC(C=C(C)C)=CF;JQUHUWFRNAXJDV-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64562;MM64562;CONC(=NC=N)N(C)C;HAUAPWJESHZLDI-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64563;MM64563;CC(CO)=NN=CC(N)=O;JVSVYMYHIXYDBW-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64564;MM64564;CON=CON=C(C)NO;LWTICCWZUSAFJT-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64565;MM64565;C=C(F)C(CN)NC(C)C;SRPQTOMSCPHQFJ-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64566;MM64566;CC(C#N)=NN=CC(N)=O;KQKPLOKWUUCVJW-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64567;MM64567;CC(N=CN)C(=O)C=CF;CYPRYWPWVXGGAA-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64568;MM64568;C#CC(C)=NN=CC(N)=O;FOCVOAWHAMYPPD-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64569;MM64569;CNCCC(C)(C#N)C=O;WZCRHVATWLXJMF-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64570;MM64570;CNC(CC=O)C(C)C=O;XCSAYGJVEKCQMB-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64571;MM64571;CN(C)CCCCNC=O;MPLDPQVXQGUBKN-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64572;MM64572;NC(=O)C#CC=C(F)CF;GDORXBNMADJBQP-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64573;MM64573;C#CC(C=C)(CNC)OC;GZNWGCDYOHLWPD-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64574;MM64574;CC(C=O)=CC#CC(N)=O;HOFDSTSJLIOATJ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64575;MM64575;NC(=O)C#CC=C(F)C=O;FLKYBNKOBQRTPP-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64576;MM64576;N#CC(F)=CC#CC(N)=O;SSBIBKOQRAXTDM-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64577;MM64577;CN=C(C)NC(=CF)CN;XIYRPTVNZWFYLN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64578;MM64578;CC=NNC(=N)NN;AXPZBGOCQNBIAB-UHFFFAOYSA-N;115.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64579;MM64579;C=CC(F)=C(F)C(N)CN;IEZIVZDQUVUECD-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64580;MM64580;C=CCNN(C)C=NCC;LJRTXLJIPVTKAX-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64581;MM64581;NCC#CC(N)CC=CF;KJDANYNNMKDMQC-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64582;MM64582;C=CCC=C(F)C(N)CN;SVLIPKNCRMIATK-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64583;MM64583;C=CC(C)N(C=N)NCC;DPNSDBSMROMQAQ-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64584;MM64584;CCC(C)=NNC(=N)NN;ULFCZUMCOFENHV-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64585;MM64585;CCCCN(C=NC)NC;JEPDTOSEYLADHN-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64586;MM64586;C#CC(=NCC)NCCN;ZFFSXPNXBMURRQ-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64587;MM64587;C=C(F)C(CN)NCCC;NMUCHMNONPOQQZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64588;MM64588;COC(C#CCF)C(C)N;JVBPHPPPADYTIY-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64589;MM64589;C#CC(CN)NCCC=C;MBPPOZSIJXQXES-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64590;MM64590;C#CC(C=O)CNCC;BCLRYOHJYQYVLB-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64591;MM64591;C#CC(C=O)C(C)NC;FTIDBLATJMGERD-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64592;MM64592;C#CC(=CC#CCN)CN;XRGGFJMFEGNAPO-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64593;MM64593;N#CCNC(=N)N;GQGXTMBEZKOHGU-UHFFFAOYSA-N;98.11;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64594;MM64594;CCC(O)CC(O)COC;AAHSFNGTMGSUEN-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64595;MM64595;COCC(O)CC(C)OC;DBJHUZRSSILMSF-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64596;MM64596;CC=NN(C)C(=N)NN;AEOXTZQWIWONQH-UHFFFAOYSA-N;129.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64597;MM64597;CNC(=N)OC(C)C=O;ACQDNRDNMJSKGP-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64598;MM64598;CCOC(C)CC(O)CO;ALSIVMJJBXTRSA-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64599;MM64599;C=CCN(C)CC;LQVWXFHNYICENT-UHFFFAOYSA-N;99.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64600;MM64600;COCC(C)OC(C)CO;OOELPXADJSCXDE-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64601;MM64601;CNCC#CCN;AUJUBRYOQIXUAL-UHFFFAOYSA-N;98.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64602;MM64602;COC(C)OC(C)CCO;XNXXMIXBLPCABQ-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64603;MM64603;C#CC(=C)C(C=O)NC=N;ABBZNACVAYOPFT-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64604;MM64604;CON=CC(C)(C)N;VWBYZSWUGSBHST-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64605;MM64605;CC(C)(C#N)NC=N;IOWRRISYQZJMRC-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64606;MM64606;CNCC=COC=NN;MWKHMSSBOBXPDF-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64607;MM64607;C=CN(NCC)C(=O)CF;KTZCCFUJVHYPMW-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64608;MM64608;C=NNC(C)C(C)N;STSLSQDNICNKQU-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64609;MM64609;C=NNCC(N)CC;PERPKLQMYUMFNG-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64610;MM64610;CON=CNO;AVCYWPGYNXWEMT-UHFFFAOYSA-N;90.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64611;MM64611;CC(CO)CC(O)CC#N;IAORAONOUAJVER-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64612;MM64612;CCC(O)CC(O)CC#N;PXWQSIAKPRUFPP-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64613;MM64613;CNC(C)(C)COC=NN;OYFYLEUSDMJNGF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64614;MM64614;CCN=C(C=O)N=CNO;NGFGNWVEJWMAHJ-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64615;MM64615;COC(C)CC(O)CC=O;HGTSYTFOLDHZEL-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64616;MM64616;COC(C)CC(O)CC#N;LUQLCRCPXUXQCR-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64617;MM64617;CC=CC(=NNC)C(=N)N;MREURRIRTYIQFF-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64618;MM64618;C#CC(=CNC=N)OC=O;KQAFOHUCPLWXNT-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64619;MM64619;CC(C)OC(=O)CCN;ZOPZESRASFRAIT-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64620;MM64620;C#CC=NN(C)C(=N)N;ZHIJGUZWTQYVJC-UHFFFAOYSA-N;124.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64621;MM64621;C#CC(CCN)=NNC=N;AYMYNNPFKLJWPM-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64622;MM64622;C=C(C)OC(=O)CCN;PEOFXIBRWJWDTG-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64623;MM64623;CC(CO)OC(C)CC#N;MKDXCFOCTDDCPB-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64624;MM64624;COC(C)OC(C)CC#N;PFCWHBPAGPGCQP-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64625;MM64625;CC#CC(=N)NC(C)=N;ZDLFIPOANMTCTM-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64626;MM64626;C=NN(C)C(C=O)C(=N)N;RXJJZLXDBSQCAT-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64627;MM64627;CCN(C=N)NC=CC#N;WECAABPMQBXOOX-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64628;MM64628;CCC(N)C(C)(F)CC;POTJMONFYCYNRG-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64629;MM64629;C=CC#CC#CC(=N)N;FYINSJOHHRNIQN-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64630;MM64630;CCCOC(=O)CCN;JYSNRZNGUVBJQZ-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64631;MM64631;C=CCOC(=O)CCN;PWCFLPWPZDNXFL-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64632;MM64632;C=CCOC(=N)NCC;JNJUNEPVRBOAIE-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64633;MM64633;C#CCOC(=O)CCN;BTWGMEPGOMQOMU-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64634;MM64634;CC(C=O)CC(O)CCF;JBFBACGLVKTTJI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64635;MM64635;CC(C)(N)CNN=CCF;KQZPWOLRDOLXTL-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64636;MM64636;CNCC=C(F)C(C)N;ZHMRTQABYVYVSF-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64637;MM64637;C=NOC(C)C(=N)NC;PHBNBQCTLVSTOU-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64638;MM64638;C=CC(N)C(=C)COC;LJJOBDUAGDVOCM-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64639;MM64639;N=C(N)C(N)C#CC=NO;DFMAULCIMALOIV-UHFFFAOYSA-N;140.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64640;MM64640;COCC(O)CC(O)C#N;HIUGRWKFSFLVMK-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64641;MM64641;NCCC#CC=NO;NNSXQVLWNFEQKC-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64642;MM64642;C#CC(C(C)N)N(C)C;DNQBRFBTZLPLMB-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64643;MM64643;COCC(C)OC(C)C#N;KVZDBKHPKRNOAZ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64644;MM64644;CCN(C=N)C(C)C#N;ZRRQVUIZQLZPTO-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64645;MM64645;C#CC(N)CC(C)(N)C#C;CUGJABCNIPPMNJ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64646;MM64646;CC(C)(N)C#CCOC=O;PNUYMPVHOHAXKT-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64647;MM64647;CC=C(CN)CC=NO;RJVTZEZJQAIQGV-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64648;MM64648;C=CC=CC(N)CN(C)C;GLYUINQRAFOBRM-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64649;MM64649;C=NNC(CCO)=NN;STKYMJGZMUADKW-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64650;MM64650;CC(C#CC=O)OC(=N)N;CCKRPZSJQXJWNM-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64651;MM64651;CC(C#CC#N)OC(=N)N;PHDCEUWPWNAYLD-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64652;MM64652;CC(CCO)ON(C)C=O;YAUUICZWKAWKLR-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64653;MM64653;C#CCC(C)(CN)OC=O;NTLFJRKKSGZVBA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64654;MM64654;CCOC(C)ON(C)C=O;KCESWJTWPZSIJE-UHFFFAOYSA-N;147.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64655;MM64655;CC(C)=NNC(C)C(C)N;ALKHZSWAMDQSAT-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64656;MM64656;CC=C(C)OC(=O)CCN;XXTRDHBHIKAQHX-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64657;MM64657;C#CC(C=CCN)=NO;RJFWDNMECCQLFI-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64658;MM64658;C=COC(N)=CC(=N)NN;XLMTVPKLWUBWHR-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64659;MM64659;C=CC(C)CC(O)CC=O;ZWPINZFSLNJDKB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64660;MM64660;CC(C#N)CC(O)CC#N;LZKPNDIRKXYOSI-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64661;MM64661;C=CCC(O)CC(F)C=O;CEOZIGHLPMKPOB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64662;MM64662;N#CCC(O)CC(F)C=O;VILHSJUFQKXXBY-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64663;MM64663;CC=NOCCCO;GJTHDIANGVVFNM-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64664;MM64664;COCC#CC#CC(=N)N;UOOYGLXZXIVEGH-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64665;MM64665;C=COC=NNC(=N)OC;NLHBGWTZCVESHB-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64666;MM64666;CC=NNCC(=O)COC;DXVXFGPRRHFNSP-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64667;MM64667;CC(C#N)OC(C)CC#N;CYYBVTSKMBLIPJ-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64668;MM64668;C#CC(=NO)NNC=N;KVCHQMWIJVMBKL-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64669;MM64669;N=CNC(C=NO)=CN;VEKOWSGIZAKZKU-UHFFFAOYSA-N;128.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64670;MM64670;CC(C)C(=O)CNCC#N;QGXVWDYYWKMHAN-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64671;MM64671;CCCCOC(=O)CCN;QNTPCCXIHHINAO-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64672;MM64672;C=CCCOC(=O)CCN;WGUWLQDGECGOQD-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64673;MM64673;C=CC=NOC(=O)CCN;REAJMFNGNOPQDH-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64674;MM64674;C=CC=NNC(C)C(C)N;XZOIBPXKKPTXQD-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64675;MM64675;C=CC=NN(C)C=NNC;YTLIGRNFETVERR-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64676;MM64676;C=COC(C)CN(O)C=O;HUYNFDCCEKSPDR-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64677;MM64677;C=CC=C(C=NN)CNC;IFMNYYRSVHSAQZ-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64678;MM64678;CC(CN=C(C)NN)=NN;PUBRORPVINMMOF-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64679;MM64679;C=NN(CC)CC(=N)NN;ZYTXPPZGTDVGMT-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64680;MM64680;CC=CNC(=N)NCC#N;PMOWYKAFDRBZHW-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64681;MM64681;CCCCNC(=N)NC=O;JNBZICPAZQRTFH-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64682;MM64682;N=C(N)C(=CN)C(=O)NN;VYJAOWODQBLRBL-UHFFFAOYSA-N;143.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64683;MM64683;C#CCCC(N)C#CCN;UTMHCPUSCCNRHY-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64684;MM64684;C=CC(C)C(N)CNN=C;UVWWQIRKICFIMI-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64685;MM64685;C=CN(N=C)C(C)=NNC;VEWRXLUJBPGHGZ-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64686;MM64686;C#CCC(O)CC(F)C=O;BPQPIRJMIUXIFJ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64687;MM64687;C#CCC(O)CC(F)C#N;NEPXPPOSFRAZRZ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64688;MM64688;C=C(CF)C(=N)NC=NC;ZPROUIWAQROPJF-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64689;MM64689;CC(=CF)CNCCCF;NDMFUGKTNCQOPA-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64690;MM64690;C=CCC(CN)C(=O)OC;YGPYGTQGUVOZGH-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64691;MM64691;C=COC(C=C)C(=N)NN;VHCDMNPHEJKLBR-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64692;MM64692;C=NOCC(=NNC)OC;TVIOMXSRAJDXNO-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64693;MM64693;C#CC(C)CC(O)CCF;ACWSNCUZDQXSHE-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64694;MM64694;C=NOCC(=NN)OCC;ZKIWRVJSGJJJOS-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64695;MM64695;C#CC=C(CN)C(N)C#C;CXPFNWREYYSZRV-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64696;MM64696;CNC(C=CC=O)CCF;UDYCQYPQWJGPNR-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64697;MM64697;CCN(OCCF)C(C)=N;UUOWZBSXFGHEKH-UHFFFAOYSA-N;148.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64698;MM64698;C#CC(F)CC(O)COC;UBBNKWHSEQLANI-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64699;MM64699;C#CC(O)CC(F)COC;SQGIPBBMVGOSLC-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64700;MM64700;CC(C)=C(C#CCN)CN;NGUZOWRJCNZYAW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64701;MM64701;C=CC(NC)C(C=C)NC;LSFRFPVAFDRNPA-UHFFFAOYSA-N;140.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64702;MM64702;C#CCNCC;QLWUUDMYTAATJZ-UHFFFAOYSA-N;83.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64703;MM64703;C#CC(C)CC(O)CC=O;YCFKBXWNSDQMPY-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64704;MM64704;C#CC(O)CC(O)CC=C;AFCDRXCLBJMKIY-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64705;MM64705;N#CCOC(=N)N;DHYGWMICRXCLHG-UHFFFAOYSA-N;99.09;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64706;MM64706;C#CC(O)CC(C)OC=O;FTQIHKFJLHZOBP-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64707;MM64707;C=CC(C)N(C)C;IWSJEVGUBTUOPS-UHFFFAOYSA-N;99.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64708;MM64708;CC(=NN)OC=CC=NN;WJQVMUJZGRHYOK-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64709;MM64709;C#CCC(O)CC(O)C#C;IBSBRCNRPHKSKZ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64710;MM64710;CC(C)C(N)C(C)F;CZQKXMSGIZDUKC-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64711;MM64711;C#CC(C)(CN)NC;GPPNQIBYEXWIBN-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64712;MM64712;CC=CC(N)CN(C)C;ZJHPFVYJHPFCDT-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64713;MM64713;C#CC(=C)CN(N)C=N;FVBOPWBFUMJRQI-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64714;MM64714;C=C(CF)CC(O)CCO;VDLJEDPKACDSOC-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64715;MM64715;CN(C=N)N=CC(=N)N;NLHSYELEKCKLBG-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64716;MM64716;C=NNC(C)CNCC;PNKOVADOXWNAIS-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64717;MM64717;CCNC(=N)OCCF;WXGBSPKNCUMXOC-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64718;MM64718;CNCCOC(=O)C#N;DWRMKBYCQUHKCD-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64719;MM64719;C#CCC(N)=NOC(C)=O;QSULKSBSWMWKRE-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64720;MM64720;C#CC(=O)OCCNC;YXBCIIGKNNSFRR-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64721;MM64721;C#CCN(N)C(=N)CC;FYTNABRDMMPXKE-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64722;MM64722;C#CC=C(C)N(N)C=N;GCUVSFKRQPKKNT-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64723;MM64723;C=CC(CNC)=C(C)F;AMJGPCXQHRRBMF-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64724;MM64724;C=C(C)N(OC)C(C)=N;LTGPQBPXPYBCEV-UHFFFAOYSA-N;128.18;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64725;MM64725;CCC(CN)C(=O)OC;OITQFQBCFPRRFS-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64726;MM64726;CCOC(C)CC(=O)CO;LSXFUKATBFURJV-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64727;MM64727;C#CC(C#C)C(=N)NN=C;WJFBHZRGKIAWRJ-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64728;MM64728;CNC(=O)NC(C)CCF;OIBYJYSPUANJIJ-UHFFFAOYSA-N;148.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64729;MM64729;CNC(=O)NC(C)COC;NEMUDMMEFGGIHZ-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64730;MM64730;C#CC(O)(CNC)C(C)C;ZYDFRZRLCWSORL-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64731;MM64731;CC=C(C#CCN)CN;VIEFDEWWFNIABS-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64732;MM64732;C=C(CO)OC(C)COC;NXCQGYGWSUZRJL-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64733;MM64733;CNCC(C)(F)C(C)(C)N;HCHFKYMODYKWNZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64734;MM64734;CNC(=O)OC(C)COC;YIWOUOPMSLSOMG-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64735;MM64735;COC(=O)OC(C)CCO;YPPVZOKZIPRAQK-UHFFFAOYSA-N;148.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64736;MM64736;C#CC(N)C#CC(C)(C)N;WZDIEOAKHJZXTQ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64737;MM64737;C#CCC(C)(N)C(N)C#C;QAJDKQGKGUBWHZ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64738;MM64738;CCOC(=O)OCCNC;YUZJGVMVVMOXOS-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64739;MM64739;CC=C(C)C(O)(CN)CF;MOIQWDVUPHWSFY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64740;MM64740;CCOC(C)OC(=O)NC;NMFDJWXZRTVLOF-UHFFFAOYSA-N;147.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64741;MM64741;CCOC(C)OC(=O)OC;BJGKUXVSMFKZLT-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64742;MM64742;CC#CC(=O)OCCNC;XLGCLDXUBCDSII-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64743;MM64743;C=NN=C(CNN=C)OC;YLQCMDZUSHOHIX-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64744;MM64744;CCOCON(C)C(C)=N;UPSXFBPASOQCCW-UHFFFAOYSA-N;146.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64745;MM64745;C=CCC(C)CC(=O)CO;LBWBUMWUXSQVMC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64746;MM64746;CCC(C=O)(CNC)OC;LDSFYVJVQOIDEE-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64747;MM64747;C=C(CC)CC(O)CC=O;WHKMPUKODCBQJI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64748;MM64748;O=CCC(F)CC(=O)CO;UGAUFMCZPMJSCC-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64749;MM64749;CC(CC#N)CC(=O)NO;QRVQFTWQBBYTLD-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64750;MM64750;C=C(CC(O)CC=O)OC;PJNHZXIWURQNGM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64751;MM64751;C#CC(O)C(C)(C#C)CN;HIRGUHYQSZCMBK-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64752;MM64752;C=CC(OC)OC(=N)NC;BOMLCXZQNYZNSU-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64753;MM64753;C#CC(=N)N(C)N(C)C=N;MFPDRPOSONEFFL-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64754;MM64754;C=CCC(C)NC(=O)CO;ILSXXEVHWHVAPT-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64755;MM64755;C=CC(N)C(=C)C(N)C=C;HIEKWEOWAXGNNF-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64756;MM64756;C=CC=CC(O)(CN)CF;LOQISQSBBMDHHB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64757;MM64757;C=NN(C)C(C)=CC=NO;CDPJRIUDRDNXHA-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64758;MM64758;CC(CC=O)OC(=O)CF;HDKRZODCGVXJHX-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64759;MM64759;C=C(CN)C(N)C(F)=CF;DFZRAQZCQAJOMZ-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64760;MM64760;CC(C)=CC(O)C(=N)NN;OELUXVDQLDMYMS-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64761;MM64761;CNC(=O)OC(C)CC#N;XSWVGCASHMXZRI-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64762;MM64762;C=CCCC(N)C#CCN;GDMVSWLVUZUKMD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64763;MM64763;CCC=CC(O)C(=N)NN;ORCQUNMIRUWIKF-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64764;MM64764;CC=NOC(=O)C(C)CN;PKNAYGXGXAKLFU-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64765;MM64765;CNCCC(=O)C(C)(C)O;DJVOWECOTHYSFD-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64766;MM64766;C=CCN(C)NC(=O)CF;CMHMYADVVGWQAA-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64767;MM64767;CNC(=O)NN(C)CC#N;AYGNNUSAROMJGF-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64768;MM64768;COC(=O)NN(C)CC#N;JLKLYDZJMSDGFR-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64769;MM64769;CC(C)C(F)C(O)CN;SDKWNFMURKSZFL-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64770;MM64770;C#CC#CC(N)C(=C)CN;XTSCIJGDLMCQHE-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64771;MM64771;C#CC(NCC)C(C)NC;FKJGCBJPIPESHL-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64772;MM64772;CCC(C)C(F)C(O)CN;JTGDKRRLAMQBBG-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64773;MM64773;C=CC(NN=C)C(=C)CN;NEUQLHMMLLADMC-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64774;MM64774;C=NOC(C#N)CCNC;IBLJCDWWHAXFNR-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64775;MM64775;C=CC(=CNC=NO)CF;SPMUCBPEWNXNEE-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64776;MM64776;C#CC(CCF)NC=NC;LJTPJPFRKVMMSS-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64777;MM64777;CCC=C(C#CCN)CN;PLROCACTYGDXMN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64778;MM64778;C#CCN(C)NC(=O)CC;AIGYFNNYRCLJRF-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64779;MM64779;C=C(C#N)CC(O)CCO;SZTSCIAAQCNXSV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64780;MM64780;CCCC(N)C(O)C(C)O;SULCMLFLWSVFET-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64781;MM64781;C=CC(CF)N=CNC=N;BRBVTJRNSXPCMJ-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64782;MM64782;C=COC(C)(C)C(O)CN;YSECHNFMCGLZOY-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64783;MM64783;CNCCOC(C)=O;ZKXGCJWETIMHPS-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64784;MM64784;CC#CC(N)C(C)N;FSTRCDPITOHMAM-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64785;MM64785;C=C(CC)N=CNN;XBZLSELATIPYDF-UHFFFAOYSA-N;113.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64786;MM64786;CCOC(C)(C)C(O)CN;SEYISXWLXMOADS-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64787;MM64787;COCC(F)CC(=O)C=O;ZROQBIGHVVSQJA-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64788;MM64788;CC(CCF)NC(=O)C#N;SHLXFESAOPFIMT-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64789;MM64789;C=C(C#CCN)CN;CGTVIGMHTZCGEL-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64790;MM64790;COCC(C)NC(=O)C#N;VXADFIRYCLTGFZ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64791;MM64791;CC(C)(F)CN(N)C=N;QHDJRHYLRFQLCB-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64792;MM64792;CC(C)(C=O)OC(=N)N;KTKNXLQDHVMGFY-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64793;MM64793;CCCN(C)NC(=O)C=O;YEUQSHHUPZUUBN-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64794;MM64794;C=CC(=C)CC(O)CC=O;YVNDZITWKOHYNM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64795;MM64795;C=C(C=O)CC(O)CC=O;FNHHYJKPAFSBMY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64796;MM64796;C=C(C#N)CC(O)CC#N;YRQPZCFRBKIEMS-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64797;MM64797;CC(C)CC(N)C(O)CO;OMCIQBXZJIKYIY-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64798;MM64798;C#CC(=CC)C(O)CN;PDXGQOIMJWBJKP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64799;MM64799;CCCC(=O)C(C#N)NC;KEBZBMMHVCLHBI-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64800;MM64800;C=CCC(C)NC(=O)C=O;XJKOWMGJWWHAEA-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64801;MM64801;CC(CC=O)NC(=O)C#N;GCJXCCWKDXWODT-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64802;MM64802;C=C(C=O)OC(C)OC=O;LOSFFOUARRCCTA-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64803;MM64803;C=NOC(=N)NC(=N)N;IAKAZUNSFRAIBM-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64804;MM64804;CNC(C)=CC(=N)NC=O;DPHXDUPGCVPWAU-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64805;MM64805;C=CCNC(=N)C#CCO;HEBRABQPKMKCFR-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64806;MM64806;C#CCC(N)C(O)C=CF;LUEQVXBIQJBBJX-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64807;MM64807;C#CC(CC(=C)C)NC;IKXIARVIJGRIGV-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64808;MM64808;C#CC(C)NC(=N)C(C)O;SRMWTGVLCIFDKB-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64809;MM64809;C#CCC(O)CC(=O)C=O;ZTZICFMXXZBKQZ-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64810;MM64810;CCCC(N)C#CCN;WTKRCRUXOVWKSY-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64811;MM64811;C#CCN(C)NC(=O)C#N;IELDGCZMXOQGCJ-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64812;MM64812;C#CCC(O)C(C#C)CN;KUJUODVLOCWCMD-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64813;MM64813;CCC#CC(N)C(C)N;YWQOTFHBTCKHAP-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64814;MM64814;C=COC(C)(CO)CNC;VPGIDZVCHGTBQJ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64815;MM64815;C=NNC(C)C(C)NC;KXCYDJCQHBOAOX-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64816;MM64816;C=CC(=NO)NC=CC#N;HZVABGNOEOOSLS-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64817;MM64817;C#CC(CN)C(O)C(C)C;RFZLRXPPNMFBHG-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64818;MM64818;C#CC(=O)OC(C)OC=O;YHMSSGLXHMSQFR-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64819;MM64819;C=NNC(C)C(=C)CN;NPFVQFDNJCXRMD-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64820;MM64820;C#CC(=O)NN(C)CC#N;DFJSBXLTTFWJML-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64821;MM64821;CCOC(=O)C(C)CN;XBEVGFLLWVWHCF-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64822;MM64822;C#CCN(C)NC(=O)C#C;BNDWGMCJCQLVMP-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64823;MM64823;C=COC(=O)C(C)CN;JFXCPKJSWJLYAO-UHFFFAOYSA-N;129.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64824;MM64824;CC#CC(F)C(N)CN;OBXZEWRVJITHCO-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64825;MM64825;C#CC(OC=C)C(C)N;WQHKINXMJNOLMN-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64826;MM64826;C=NNCC(CC)NC;KKZBQKINHVFSBL-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64827;MM64827;CC(CF)CC(=O)CCO;ADDDVVLOMCWMFB-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64828;MM64828;CCCC(=O)CC(O)CF;JKZFMIHNCZBLHF-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64829;MM64829;CCC(F)CC(=O)CCO;MJSSXNSBYSSJID-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64830;MM64830;CNCCC(C#N)OC;UHQNSKOLGOSYGH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64831;MM64831;C#CC(CN)C(O)CC=C;BVWJLWQEZFLMGU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64832;MM64832;C#CC(CNCC)OC;FRMUVBXSAKHDRQ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64833;MM64833;C#CC(CN)C(O)CC;VAUSLNIBTDIHKX-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64834;MM64834;C=NNCC(=CC)CN;XBYZOXVJULBKGU-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64835;MM64835;C=CC(CO)OC(=N)NC;LUGOKEMGOQVNLM-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64836;MM64836;CC(C)=CC(N)C=C(C)C;SVLQKSURHZCRGD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64837;MM64837;C#CC(CNCC)C(C)=O;KBIYANBXXAJVJI-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64838;MM64838;CNC(C)(C)C(CO)OC;LLDLVEKHWLKCNJ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64839;MM64839;C=CC(N)CC(C)(O)C=C;JEKUSIZFAYDPSZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64840;MM64840;CCC(C)(F)CN(N)C=N;ZETVYJLSFSYIDB-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64841;MM64841;CCC(C)(C=O)OC(=N)N;XCWSGUDPWBJCDI-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64842;MM64842;C=NOCC(C)(N)CCF;YTJZQJQILAAQJZ-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64843;MM64843;C#CC(C)(N)CC#CCN;SOZZVWXZTAMIGX-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64844;MM64844;CC(C)=CC(C)(N)CO;LCLNFASNPCNDDE-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64845;MM64845;CC=CC(=NO)NN(C)C;MNABINHDLRABET-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64846;MM64846;CC(C)C#CC(N)C(C)N;SKFCTWMOXSTPMN-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64847;MM64847;C=C(CCO)OC(C)OC;GSJMSGLIJBVDNE-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64848;MM64848;C#CC(N)CC#CC(C)N;AOBLEEGERCPUPY-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64849;MM64849;C#CC(=C)OC(=C)NC=N;ZUOPLIWVGCERHV-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64850;MM64850;C=CC(=C)C(N)CN(C)C;SKZPMTXFASFWAB-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64851;MM64851;CCCC(=O)OCCNC;GPIYRSCRNNBXNA-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64852;MM64852;CCC=NNCC(O)C=O;VVMXWQSBIOZPKE-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64853;MM64853;C=C(CC=O)CC(O)CF;GAQBTZJSXBANQF-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64854;MM64854;CC(CO)CC(=O)CC#N;ZNITXSMNPKTZJW-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64855;MM64855;C=CC=CC(C)(N)CO;PRFJINCBMNHRTO-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64856;MM64856;C=CCC(N)C(N)C#CC;BHZAVPAVDYVJOL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64857;MM64857;C=CC(C)(C)CNNC=O;MBWHZOGUUKWYCW-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64858;MM64858;C#CCC=CC(C)(N)CO;SKBJNVAMLGWNPH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64859;MM64859;CC(=N)N(N)CC#CCF;DGIWYFSKBOHRGQ-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64860;MM64860;C#CC=C(C=NN)NC=N;IYCDCPTYLDMZRP-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64861;MM64861;C=CNC(=O)CC(O)CC;QVTXNDCFTZBTDU-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64862;MM64862;C=CC(C)(C=NN)NC=O;QISKLVCKXLJSRC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64863;MM64863;C=COC(=C)N(O)C=NN;WAXXLMMSTYZDCC-UHFFFAOYSA-N;143.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64864;MM64864;C=CC(ON=C)C(C)=O;GHWCRWNSHNMOJD-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64865;MM64865;CC(C=O)=NN=C(N)CO;AUTPTCNNSCDMPB-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64866;MM64866;C#CC(=N)NC(C)(C)CO;CTVMJIQAAVUCKJ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64867;MM64867;C#CC(CN)(CC=C)NC;BPIFKMCZNLZIJG-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64868;MM64868;C=CNC(=O)CC(C)OC;OCZIHLKOTHVSSQ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64869;MM64869;CNC(=O)ONC(=N)N;XCDTYOQISFREGB-UHFFFAOYSA-N;132.12;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64870;MM64870;C=CC(N)C=CC(=O)OC;BISLIKVHYSAKAH-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64871;MM64871;C#CC(CC(=C)CF)NC;OVOKTFDBJRBEKF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64872;MM64872;CC(=NNC(=N)N)N(C)O;OHXADTOCWDPGNB-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64873;MM64873;C=CC(NC(C)C)C(C)O;XLNADPFFOKIUKJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64874;MM64874;C=CCC(=O)NC(C)CO;VGCRNALYIXEUSE-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64875;MM64875;C=NN(C)CC(=CC)CN;PMTBBGIXJFIJCT-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64876;MM64876;C=NN=CCC(N)C(C)O;WDMSAIGPMCYOFL-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64877;MM64877;CCC(C)NC(=O)NC=O;DOIWYWVWFFUKGX-UHFFFAOYSA-N;144.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64878;MM64878;CNN=C(C)N(O)CC#N;AIXQRFSOEBJCBI-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64879;MM64879;C=NNC(=O)NC(C)CO;JXBHJQARWCDNFC-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64880;MM64880;CN(C=N)C=C(C#N)C#N;IQINTOULVHBVMR-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64881;MM64881;C=C(CC#N)OC(C)CO;ZYAFZMAYRLKKDH-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64882;MM64882;C=NN(C)C(C)C(=C)CN;WBYPGNJQVYVCCA-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02851;MM02851;CC(CF)OC(=O)CC=O;XVPSEZMYJHSSHK-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64883;MM64883;C=C(CC#N)OC(C)OC;QFOWPVUTSUWUQY-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"1-methoxyethyl 2-cyanoacetate";MM02908;COC(C)OC(=O)CC#N;SKBAXXQQPNGPLI-UHFFFAOYSA-N;143.14;0.44;21702692;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64884;MM64884;CCC(C)OC(=N)NC=O;BCOOKMUDIVVPMW-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64885;MM64885;CCC(C)OC(=O)NC=N;UUNSDLHNHWIFAG-UHFFFAOYSA-N;144.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64886;MM64886;C=CC(C#CCO)NN=C;JNQJZDXLFYNWMK-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64887;MM64887;C=CCOC(=O)C(C)CN;WFALLXBFFDBEBN-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64888;MM64888;C=CNC(=O)OC(C)OC;NYBJZWVIZZDFIA-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64889;MM64889;C#CCOC(=O)C(C)CN;RBJPOTXRGCNKHR-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64890;MM64890;C=COC(=O)OC(C)CO;UDYSOQBAKYSLBP-UHFFFAOYSA-N;146.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64891;MM64891;C=NN=CC(N)C(N)CC;QLQPNSBSIQLZAQ-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64892;MM64892;CC=CN=C(NO)C(=N)N;IVGOLECLORSWEE-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64893;MM64893;C=NN=CC(N)C(=C)CN;UPSYWVPCUVWDIK-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64894;MM64894;CNC(C)C=C(C)C(C)O;BVDLUBMTTSNELM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64895;MM64895;CCC#CC(F)C(N)CN;YUGJPZAOIVZDOQ-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64896;MM64896;C=CC(C)C(N)C#CCN;CTMLQYMOCLPNJS-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64897;MM64897;C=CC(N)CNCC=CF;FPQRLKGLYWVCLK-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64898;MM64898;CC(=NCC(C)O)N(C)N;KIYPYCMUTCYTLM-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64899;MM64899;C=CC(C)CC(=O)CCO;RNBMXVSKZMTFRL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64900;MM64900;CC(C#N)CC(=O)CCO;UMIONGSJZMFLGQ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64901;MM64901;C#CC(F)C(CN)NCC;DDXHKZNOBGBMPW-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64902;MM64902;C=C(COC)CC(O)C#N;KLOCINMOCQAVST-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64903;MM64903;COCC(=O)CC(O)C#N;AFSHNIASRMMRHV-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64904;MM64904;CC(F)=CC(C)(CN)CO;YAVSHEWCQSCCEW-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64905;MM64905;CCNC(=O)CC(C)C=O;YIWUOMMHRGTEOQ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64906;MM64906;C=CC(O)CC(=O)NCC;SQGRYUNWWBLOFS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64907;MM64907;CC(C=CCF)(CN)CO;QDZBNQVHLHLVCU-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64908;MM64908;CC=NOC(C)(C)CO;SNUOCLDDSIGWPS-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64909;MM64909;C=C(CC(O)C=O)OCC;FUGZWKVMQNADFG-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64910;MM64910;C#CCC(C#C)C(=N)NN;DVFATIADKOZVJS-UHFFFAOYSA-N;135.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64911;MM64911;C=C(C)C(CO)NC(C)C;DKKOXFHPHUJAIE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64912;MM64912;C#CC(N)C(=CC=C)CN;JXFXJPDWEORMNT-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64913;MM64913;C=CCNC(CF)CNC;IYTZQPVTTZHTMR-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64914;MM64914;COCC(=O)NC(C)C#N;MBXPTUVGICBCKX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64915;MM64915;CONC(=O)NC(C)C#N;MOAOATMYYUIPRG-UHFFFAOYSA-N;143.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64916;MM64916;C=CC#CC(C)C(N)CO;ZCKHHZCDDSVYFJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64917;MM64917;COCC(=O)OC(C)C#N;NTKBPYDMKUPBCJ-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64918;MM64918;COC(CO)=C(C)C=NN;JHYIRSKFWBVFNM-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64919;MM64919;CCNC(=O)OC(C)C#N;XSBNIHOITBXTDI-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64920;MM64920;CCOC(=O)OC(C)C#N;NHZBTLLIABNXQH-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64921;MM64921;CN=C(CCOC)NC=N;VOKOWUVZSJDLQX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64922;MM64922;C#CC(N)C(CN)=C(C)C;UQJDUCNEJSGAAQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64923;MM64923;C#CC=CN(C=N)N(C)C;TWEAMEVXBRGSNZ-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64924;MM64924;CC=NNCC(=CC)CN;FDSPVVHHFNGKDW-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64925;MM64925;C=C(CN(O)C=O)OCC;HKTUSDOBIMQQKP-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64926;MM64926;NCC=NN=COCCN;PWPQTAFCPQXFFG-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64927;MM64927;C=CCC(=C)CC(O)C=O;UBGCJRDNBMVMHF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64928;MM64928;C=C(CC=O)CC(O)C=O;XMMAKVDBEBXWBT-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15636;MM15636;N#CCC(=O)CC(F)C#N;FGWDZVSSSZDHMH-UHFFFAOYSA-N;140.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64929;MM64929;C#CC(C)NC;SEDYEJKMKNWLGX-UHFFFAOYSA-N;83.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64930;MM64930;C#CCC(N)CO;JCJYGCIFADHREE-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64931;MM64931;C=CNC(=O)CC(C)C#N;HLNIXMAZCZNUTM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64932;MM64932;C=NNC(=O)CC(O)C#N;BEUFPQTYEKLEHW-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64933;MM64933;C#CCOC(=N)N;JHJODRWHLRDVIZ-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64934;MM64934;C=C(CC(O)C#N)OC=O;YVXQGJOWVALWTM-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64935;MM64935;C=COC(=O)CC(O)C#N;PPEUIAPOHDFHKC-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64936;MM64936;C=NOC(=O)CC(O)C#N;PFXYGASAXJAWAP-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64937;MM64937;CNN=CC=C(CO)OC;OEWPCHLERXSIOJ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64938;MM64938;C=CCC(=O)NC(C)C=O;YWXWMFXQLOBQBF-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64939;MM64939;C#CC#CC(=N)N;RZTAQZFSCYUANJ-UHFFFAOYSA-N;92.1;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64940;MM64940;NCC1(CF)CN1;BCSVSSZSTJPLKI-UHFFFAOYSA-N;104.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64941;MM64941;C=CNC(=O)NC(C)C#N;ULKLLSYJFBPDPG-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64942;MM64942;CN=C(NO)ON=CC=O;JYEWIARRSOICCM-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64943;MM64943;C#CC(CO)NN=C;FMNGTIIXYUEDNX-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64944;MM64944;C=NNC(=O)NC(C)C=O;QYPCWODCAKXYEE-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64945;MM64945;C=NNC(=O)NC(C)C#N;VPXFRJCCWRAFQD-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64946;MM64946;C=CC#CCN(O)C=NN;NZQMCQOBSQAVQN-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64947;MM64947;C=NOC(=O)NC(C)C#N;ZJCIDOFILOOUQO-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15977;MM15977;C=CC(C)OC(=O)CC=O;RIGDBGSSJDCPMW-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64948;MM64948;CCNCC=CF;LIAAYUSLACCJBQ-UHFFFAOYSA-N;103.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64949;MM64949;C=C(NC=O)OC(C)C#N;BALPJSLEOUYHTH-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64950;MM64950;C=CC(C)OC(=N)NC=O;XWVQQRDMGMWYKL-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64951;MM64951;CC#CCOC(=N)N;MAFCCZJRDRZWDK-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64952;MM64952;C=CNC(=O)OC(C)C=O;VYGSETARGNVDOR-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64953;MM64953;C=CNC(=O)OC(C)C#N;XHXFUVYAHPTAPZ-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64954;MM64954;C=NNC(=O)OC(C)C=O;ZCHYPDLRIUUPEF-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64955;MM64955;C=NNC(=O)OC(C)C#N;NHEHDIMAOIPIAS-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64956;MM64956;C#CCN(N)C(C)=N;IFJIHFFKABJREC-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64957;MM64957;C=NNCC(=C)CN;USGHVTDMDLZDKN-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64958;MM64958;NN=CN(O)CC#CCF;QCMGCIRYEYOCMD-UHFFFAOYSA-N;145.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64959;MM64959;C#CC(CC=C)NC;JUTKRADCIGNFOJ-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64960;MM64960;CNCC(N)C(C)(F)F;HOAIOHSLVGVDKL-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64961;MM64961;C=CC=C(CO)C(C)N;OKNOYRJMDITPMG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64962;MM64962;C=C(CO)C(C)(C)NC;BXFRIWBVZBEKFW-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64963;MM64963;CNC(C)C=C(C)CO;BRRDMEJDQSNHDQ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64964;MM64964;CC=CC(=O)C(=N)NO;FOZFDGUWQWWQTJ-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64965;MM64965;C=C(C=NOCC)CO;JPPWDIGQVSFRQH-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64966;MM64966;COCC(C)(N)C=CF;KRRBGNAOCKDHRS-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64967;MM64967;C=COC(=C)CN(O)C=O;MSZVIKXLWYAKJV-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64968;MM64968;C=C(C)C(N)CN(C)C;JWVZBDWJMDCTLZ-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64969;MM64969;CN(C=N)C(C)(C)C#N;QDOIPPFMYZHPND-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64970;MM64970;CCC(C)(CN)OC=O;XIWOZGYGBPZPCV-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64971;MM64971;C#CC(C)(CNC)NC;JQGIEFLYTYRGBK-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64972;MM64972;C=C(F)C(C)(CN)NC;GRAKEAVEYIZJGO-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64973;MM64973;N=C(N)OCC#CCF;IIUVIIIDNZIACC-UHFFFAOYSA-N;130.12;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64974;MM64974;C=CC#CCOC(=N)N;BAEJZRXTMKWPFD-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64975;MM64975;C#CC(CO)CON=C;ILOZEEBIKIQTNQ-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64976;MM64976;C=CNC(=N)NCC#N;KBAQUTTVWVXGRK-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64977;MM64977;C=NNCC#CC=CCO;HRDIELJBRCFJOO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64978;MM64978;CC=NNC(C=O)CCO;TWTPVCVHLSSRQF-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64979;MM64979;C=C(OC)C(=N)NOC;JMADYULBVRBGKL-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64980;MM64980;C=CNC(=O)ON(C)C=O;SFEIHHCKBALJOR-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64981;MM64981;CCCN(C)CCO;GVFZJCJJUNBFNM-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64982;MM64982;CNCC(=CF)CNC;RRRLFPZEYXXPNF-UHFFFAOYSA-N;132.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64983;MM64983;C#CCC(=O)NC(C)C#N;APBQOJQZJZJIET-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64984;MM64984;CC(O)CC(=CF)C(C)N;XMGNIDZDZLSFOZ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64985;MM64985;CC#CC(OC)C(C)N;KJEPMTFWVSWRTB-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64986;MM64986;C#CC(C)NC(=O)COC;ADMXGOQDQKPGPZ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64987;MM64987;CCN(C)C(CN)CF;BTFWAKUDXLJNLL-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64988;MM64988;CC(N)C(=CCO)CF;XBWRPCXVWIIGHR-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64989;MM64989;C=NNC(=NN)NNC=N;YVLACOHHRMIXPV-UHFFFAOYSA-N;143.15;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64990;MM64990;C#CC(O)CC(=O)NN=C;MLYOCERWEQMHDZ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64991;MM64991;C#CC(OC)C(C)NC;FVIQNAUKJHNUIT-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64992;MM64992;COC(=N)NN=COC=O;ACWHFEXXVWHEMQ-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64993;MM64993;C#CC(C)NC(=O)CC#N;NXFJHUYXWTVCLF-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64994;MM64994;C#CC(C)NC(=O)NC=C;WQIFJRARPSDTKF-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64995;MM64995;CN=C(NC)NCC#N;MKLQYRNNCYKDLK-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64996;MM64996;C#CC(C)OC(=C)NC=O;IAOZYKOBAPKXAN-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64997;MM64997;C#CC(C)OC(=O)NC=C;RWCCDFNESRAPRE-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64998;MM64998;C#CCC(=O)CC(O)C#C;QIEQKHNZZHGJGG-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM64999;MM64999;CC(C)(C=NN)OC(=N)N;VBDKANBDQBYFIQ-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65000;MM65000;CN(N)C=NNC(=N)N;SUSUCVQGJAKTCH-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65001;MM65001;C=C(CCO)CC(=O)CF;MKNHPIRJQQPRCD-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65002;MM65002;C=C(CC)CC(=O)CCO;CZQSIBKFIMXLOK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65003;MM65003;C=C(CO)CC(=O)CCC;DNFZHMZKEAKKGT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65004;MM65004;CC(C)(N)C(=N)NC=CF;UCDXYYOBJUQAGN-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65005;MM65005;CNN=C(CC#N)NOC;PYFSCOYXSXMMEO-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65006;MM65006;CNN=CCCOCC=O;LQAVRUOPHUVIOS-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65007;MM65007;CN(C=N)C(=NN)NC=N;MTQQJUWKFBQGCI-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65008;MM65008;C=C(C)C(NC)C(C)C=O;OCNCMOFCDJQECX-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65009;MM65009;CCCC(=O)CC(=O)NC;HNVLCZWPWYAMCO-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65010;MM65010;CC(C)C#CCOC(=N)N;ZVEGCOUMDGDZHF-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65011;MM65011;C#CC=NNC(=N)N;OUCNVVDBPIJYGA-UHFFFAOYSA-N;110.12;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65012;MM65012;C=C(F)C(C)(CNC)NC;UTGPLOQGXBSXDJ-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65013;MM65013;CNC(CC=COC)=NN;JARYTKIZXGYGTC-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65014;MM65014;C=NNC(C=C(N)N)=NN;FZUYZTYOTBYMCL-UHFFFAOYSA-N;142.17;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65015;MM65015;CCNC(=O)CC(=O)CC;UMIXFUGPMPWHAU-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65016;MM65016;CNN=CC(=NOC)OC;QFIRAEJTXLYXGN-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65017;MM65017;N#CCN(C=N)NC=N;YFXQOOSLWKFEDC-UHFFFAOYSA-N;125.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65018;MM65018;N#CCC(F)=CNC=N;UESNLBWQFWNVJW-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65019;MM65019;C=C(CN)CC#CC=NO;CVTRLHLUVRNUMB-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65020;MM65020;N=C(N)C(=NN)NC=O;NBJDQJLYUCSVPS-UHFFFAOYSA-N;129.12;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65021;MM65021;C=C(CN)CN(C)N=CC;JTEWQVYUKBVTPO-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65022;MM65022;NCC(=CC=NO)CCF;JUSVMXWVIGRUGP-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65023;MM65023;C#CC(C)=CC(=N)NC=N;UVTAPHACZCBYGM-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65024;MM65024;C=C(COC)NC(=O)CC;OXAFPKGBDATPJQ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65025;MM65025;N#CCNC(=NO)C(=N)N;WZOKQHMEQJPLNA-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65026;MM65026;C=C(CCF)NC(=O)NC;DYVQANZKHNEORT-UHFFFAOYSA-N;146.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65027;MM65027;C#CC(N)C(N)CC(=C)C;BAFKTPSUCOFHLW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65028;MM65028;CNC(=O)NC(=N)COC;YDUYFRDVFVIVDZ-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65029;MM65029;COCC(=O)NC(=O)NO;WLEBAAKTJUJOMX-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65030;MM65030;CCCC(=O)NC(=N)OC;YDHYXPZKOKYRRO-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65031;MM65031;N=C(N)OCC#CC=NN;JJPVIKOXFAHIIV-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65032;MM65032;CCNC(=N)OCCCF;ZECPGSDBCLCMJS-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65033;MM65033;C#CCC(C#N)(CF)NC;JRJJKNRXCAEBRB-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65034;MM65034;CN(C)C(=NO)NNC=N;AORKJYWPBSBDRF-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65035;MM65035;CCNC(=O)NC(=O)NN;GCVWDGVHJMXYAL-UHFFFAOYSA-N;146.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65036;MM65036;CCNC(=O)NC(=O)NO;BKFBOHRCSBYRJQ-UHFFFAOYSA-N;147.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65037;MM65037;C=CC(O)(CN)CF;CNGUDTZZHBQQRA-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65038;MM65038;CC(C)=C(F)C(C)(O)CN;JYUPVVIQUKSTCN-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65039;MM65039;C#CC(O)C(N)C(C)C=C;WEDYUPNNDYFYIU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65040;MM65040;C=C(F)C(C)(O)CN;XQJAKTQHHBCKLF-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65041;MM65041;CC(C)NCC(C)(O)C=O;CKHRGESDVFLSGO-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65042;MM65042;C#CC(O)C(C)(C)CN;OQOOCKRRKPLLEG-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65043;MM65043;C=NNCC(=NOC)OC;KUIIVOLSKXLYFQ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65044;MM65044;C=C(NC(=O)NC)OCC;USTFYOMPAZDSCW-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65045;MM65045;CC=CC(N)C(N)C=CF;IPXHSQRIMCXDKJ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65046;MM65046;C=C(CO)OC(=C)CCO;YDIWKKBSADLIDY-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65047;MM65047;CC=CC(CN)(CF)NC;IQNWJTRBLHECGU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65048;MM65048;CC#CCC(=O)NNC;KNXQPUUQLJVIOE-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65049;MM65049;C#CC(=CCN(C)C)CN;DEFHBZVERXJYOS-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65050;MM65050;CCC(C)NCC(O)C=O;KAPLTVJYQXFGGS-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65051;MM65051;C=CCC(=O)CC(=C)CO;ABPIMPLKWCIXOO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65052;MM65052;C=C(CO)CC(=O)CC=O;NIBWFCLARLQKLU-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65053;MM65053;N=CN(N)C=CC#CCO;RFBCZCUSCQFSQG-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65054;MM65054;CCCC(O)(CO)C(C)N;DCLSLWPQEKHYIB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65055;MM65055;COC(=O)CC(=O)CC#N;KZHKHYJBEOOUAJ-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65056;MM65056;CC(N)C(C)(O)C(C)O;JPMPWMLUISBHTK-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65057;MM65057;CC=CNC(=O)NNCC;GCORZXZUHFXRGP-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65058;MM65058;C=C(C=NNC)NC=O;BUHKBKOXHLAEKF-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65059;MM65059;CC(=NN)C(O)C(C)C;SCYFJUKKOLSMPZ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65060;MM65060;CC(=N)N(O)C(=N)N;GHVMWFPBFLNXIX-UHFFFAOYSA-N;116.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65061;MM65061;C=C(CC(=O)OC)NC=O;RCYBZLMZKRFCOU-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65062;MM65062;C=NNC(=O)CC(=O)OC;IMTOVPVYVKZMIL-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65063;MM65063;CCN(N)C(=N)C=COC;OSEMOJDBJZWHHD-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65064;MM65064;C#CC(C)(C#C)C(O)CN;VUICBIPTVIULHN-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65065;MM65065;C=COC(=O)CC(=O)NC;LGIHCGYTZXIMJT-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65066;MM65066;NCC(O)CF;YNYGCUBTRXYATN-UHFFFAOYSA-N;93.1;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65067;MM65067;CCOC(CC)C(O)CN;DDGFZAAWEQXSNQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65068;MM65068;C#CCOC(C)C(O)CN;PKAISMIGVMKOSV-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65069;MM65069;C=CCC(O)C=NN(C)C;PSGXRQKAOILGSJ-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65070;MM65070;CCC(N)C(N)C#CCF;JLUQJSPJBHITBJ-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65071;MM65071;N#CCC(=N)NC(=O)CF;CWVQWZJAHNQYRI-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65072;MM65072;CCC(=N)NC(=O)CC#N;LIPBRICQGAKQRN-UHFFFAOYSA-N;139.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65073;MM65073;C=CCC(=O)NC(=O)CO;RZXIXCPGIVEVHE-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65074;MM65074;C=CC=NNCC(=C)CN;WUVWOSJXTWXDDG-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65075;MM65075;C=CC#CC(=C)C(O)CN;DCALFVRVUXPYOR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65076;MM65076;CCC(N)C=C(F)CO;XHJWYACAVODROV-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65077;MM65077;C=C(CC#N)NC(=O)NC;NPBVNRXLWIPRMR-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65078;MM65078;CNCC(C)(OC)C(C)O;SHJAYJSCQWDFNT-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65079;MM65079;CC(=CC#N)NC(=N)CO;JTVRZPBYOYJZBK-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65080;MM65080;CNC(=O)NC(=N)CC#N;CECLBEWSWRRJIS-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65081;MM65081;C=CCC(=O)NC(=O)NC;DKOBJEDFYDUUGW-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65082;MM65082;CNC(=O)NC(=O)CC#N;JUFPKJMSAUDBBT-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65083;MM65083;C#CCN(CC)C(=N)CO;SBUMDCJLBGHFRO-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65084;MM65084;C=CCC(=N)NC(=O)OC;ZBGXNZCBMMCLPQ-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65085;MM65085;C=C(NC(=O)CC#N)OC;NHDNORZMTZDHPW-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65086;MM65086;C=CCC(=O)NC(=O)OC;MIGZZKATCBTONM-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65087;MM65087;COC(=O)NC(=O)CC#N;DNPVHDXRUOOKIO-UHFFFAOYSA-N;142.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65088;MM65088;C=C(NC=O)NC(=O)CC;KPQGWTIDTNCSGD-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65089;MM65089;CCNC(C#N)C(F)CO;DBXXFHMBUZHWRW-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65090;MM65090;CC(C#N)NCC(F)CO;QBHKPODPRQUJAP-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65091;MM65091;CCC(CO)(CNC)OC;PDIPECHRDVGEKW-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65092;MM65092;C#CC(=COC=O)C(C)N;OEOIVOOIHOEBTI-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65093;MM65093;CC(C)(CO)OCC=NN;IKYXEZLVRIBUQR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65094;MM65094;C=C(NC=O)NC(=O)NC;BXARWRQTGUTDMV-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65095;MM65095;CNC(=N)OC(C)(C)CO;GYCROCBMKDLHDL-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65096;MM65096;CCC(CO)(CO)NC;UTJQCXJAMSZALS-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65097;MM65097;C=NN=C(CO)CCN;MQUPKEKMZSHEFS-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65098;MM65098;CC=NN=C(CO)CCN;FTBDTEKFCKCBHL-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65099;MM65099;C=CC(=C)C(C)(N)CO;UPJKZEZMHIKUCZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65100;MM65100;C#CCC(C#C)(CN)CO;VFYFFWQFXZENNL-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65101;MM65101;CCC(O)COCC=NN;WYRABBMZASWQCK-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65102;MM65102;CC(C)CC(CO)=NN;OGWGLKFHTFZHOV-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65103;MM65103;C#CC(C(C)=O)C(C)NC;KIOHVEZMWHZBGJ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65104;MM65104;CNC(C)C=CF;PUDSSZDGPHMGAD-UHFFFAOYSA-N;103.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65105;MM65105;C=CNC(=O)NC(=N)OC;AQSGTBBXMGTQPH-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65106;MM65106;C#CC=NOC(=NC)NO;CZOVPXNWAMYJIC-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65107;MM65107;C=NNC(=O)NC(=N)OC;BECPUAYGAQNOQH-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65108;MM65108;CC(O)C(C)OCC=NN;SRVNPCLPXIRZRX-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65109;MM65109;C=CC(N)C=CC;XMEZQXDPUDYKPU-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65110;MM65110;CC(N)(CF)CCF;AEOCHVLUCODNOW-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65111;MM65111;C=CC=NNC(C=O)CO;HDKLNCJRPZPEHK-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65112;MM65112;C=NOC(=N)NC(=O)CC;YTOMELHOPOIDSD-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65113;MM65113;C=NOC(=O)NC(=N)CC;MDKLNUIRHIUAFW-UHFFFAOYSA-N;143.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65114;MM65114;C#CC(=N)NC(C)=N;QSSFSJFANCANRM-UHFFFAOYSA-N;109.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65115;MM65115;CNC(C)C=C(C)F;XHYLNKJTWJPDBU-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65116;MM65116;C=CC(C)(N)CO;WXARLVIOYBONPS-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65117;MM65117;C=COC(=C)NC(=O)NC;BCMJTTHZPJJZRR-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65118;MM65118;CCN=CN(C)NC;DZFCUZTZRRTIJP-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65119;MM65119;C=NOC(=N)NC(=O)NC;DNBGBMOLJSNUJD-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65120;MM65120;C=NN=CC(CO)NN=C;CTKDQCREFMLYFZ-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65121;MM65121;C=NOC(=O)NC(=C)OC;GLNADPOIAFMNBU-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65122;MM65122;C#CC(OC)C(C)N;CTBLYSJLCNTBOF-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65123;MM65123;C=C(CC#N)OC(=O)CO;PIVRQLVIOALHSZ-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65124;MM65124;C=C(CO)OC(=O)CC#N;IFDAKKPTOPVZJZ-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65125;MM65125;CON=C(C)C(C)(C)N;UVZSFWGINVGAJI-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65126;MM65126;CC=CC(C)(N)CO;FBGSONJDWBYLJZ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65127;MM65127;N#CCC(=O)OC(=N)NO;ONLRJMOOGZMHCT-UHFFFAOYSA-N;143.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65128;MM65128;C=C(NC=O)OC(=O)CC;JOPYBFARSPTZNK-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65129;MM65129;CCC=CC(C)(N)CO;POFJRUYUIMOPKA-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65130;MM65130;C=C(F)C(N)(CC)CN;LXPXPMFRTXIMLU-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65131;MM65131;CNC(=N)OC(C)OC;HZZLRNNQHSPDEK-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65132;MM65132;CCCCNC(CO)CO;JAAFFHQHKZVVKR-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65133;MM65133;C=C(C)CNC(C)(C)CO;LTQPWTWKBYZANZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65134;MM65134;C=COC=C(CO)NC=N;HAHANKIDGSYLQI-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65135;MM65135;C=NNC=NNCC(C)O;IDXQGOBMAUKKQC-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65136;MM65136;C=CC(C=C)OC(=N)N;VGUPBINBZRNKBU-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65137;MM65137;C=C(F)CN=CNC=N;SIDJAWHDQIFZCS-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65138;MM65138;C=NOCOC(=N)NC;JLQHTZVOFYXIPL-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65139;MM65139;C#CC(OCC)C(C)N;VIFMYMXKCISERV-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65140;MM65140;C#CC(CN)NCCC;DQRVFLPPTIGARI-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15716;MM15716;C#CCC(=O)CC(=O)OC;JSNIQQWPXUEENC-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65141;MM65141;C#CCC(=N)NC(=O)CC;GSFVIRSFKNTJDU-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65142;MM65142;CC(C)(N)C#CC(F)CN;ASPSXQNYQCPFIW-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65143;MM65143;C#CCC(=C)NC(=O)NC;GFCWYTITIAFGBW-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65144;MM65144;CC(C)=C(F)C(C)(N)CN;LNJBNIWEWROEFY-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65145;MM65145;CNCC=C(F)C(C)(C)N;VLXKSMAYIMNSQA-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65146;MM65146;CC(CO)COCC=NN;WLVBGDYFSBUPQB-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15595;MM15595;C=C(CCC)CC(=O)C=O;WJIOLDAWLVCSDF-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65147;MM65147;C=C(CCO)CC(=O)C#N;AJIOIUGDFWHRHG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65148;MM65148;C=CC(=C)CC(=O)CCO;OOKOUFCZKRAAHY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15795;MM15795;C=C(C=O)CC(=O)CCF;KEMPKDNOEROWIS-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16000;MM16000;C=CC(=O)CC(=O)CCF;DCWRQYVMQDICMC-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65149;MM65149;COC=CC(C)(N)COC;OXPVMUMCQPJJAE-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65150;MM65150;C=CC#CC(C)(N)C(C)N;ODPOODINCAZWHS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65151;MM65151;C#CCN(C)N=CCCO;JBXZPWCISOYZDU-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65152;MM65152;C=NNC=NNCCCO;KLEVMZGDDPZVEK-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65153;MM65153;NN=CCOCCCCO;LTIZOSHUKCSORC-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65154;MM65154;CC(O)C(N)CC#CCF;UUSAQHFOLJWHTP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15982;MM15982;C=CC(=O)CC(=O)COC;HROMBVDUKQSFEF-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65155;MM65155;COCC(=O)CC(=O)C#N;KQUIYHJQKXGEAV-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65156;MM65156;C#CCC(C)(CN)C(C)O;OCVGZRMFCVUZEX-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65157;MM65157;CC(O)C(C)N(C)C;AINPAHMIZZLYDO-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65158;MM65158;C=C(C(C)N)C(C)O;QTYQVXJBBNJKBO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65159;MM65159;CCNC(=O)CC(=O)C#N;FBOSEVOPNLKYMX-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65160;MM65160;C=CC(N)CC(C)(O)CC;PAMYCNXXONMBTO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65161;MM65161;C=C(CCO)NC(=O)C#N;VFQROICPDPLJPA-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65162;MM65162;C=C(CCF)NC(=O)C=O;YTJXLIPOMZFSJY-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65163;MM65163;CC(CN)(CN)CO;DNVWZGIOTUNEMF-UHFFFAOYSA-N;118.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65164;MM65164;N#CC(=O)NC(=N)CCO;DMMOIVWIPRAJRY-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65165;MM65165;C=C(C#N)NC(=O)CCO;OIIOSDJDZNWDMD-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65166;MM65166;CCCC(=O)NC(=N)C#N;GGZXMGOABWVYAC-UHFFFAOYSA-N;139.16;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65167;MM65167;N#CC(=O)NC(=O)CCO;ZIFGVBMDPBWYCS-UHFFFAOYSA-N;142.11;-1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65168;MM65168;C#CC(C)C(C)(CN)CO;ICWDMCVQROLDLN-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65169;MM65169;C=C(COC)NC(=O)C#N;FLRJFUWMHGNEHH-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65170;MM65170;C#CC=C(F)C(C)(N)CN;FNUJVMHBMIKQAM-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65171;MM65171;C#CCC(N)C(C)(C)CO;LLPIYWHCAVDFHS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65172;MM65172;COCC(=N)NC(=O)C#N;NVPKZHXVMHLQOB-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65173;MM65173;COCC(=O)NC(=N)C#N;JWKITPQRPODGSV-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65174;MM65174;COCC(=O)NC(=O)C#N;IPQRXDBBENUQPD-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65175;MM65175;CCC(N)(COC)COC;LIDIGCAJPDQZCX-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65176;MM65176;CCC(=NN)C(C)NC=O;NIIRVXNLGFVFDA-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65177;MM65177;C#CC(C)(CNC)NCC;NKUPBJUQSMZBTK-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65178;MM65178;CCNC(=O)NC(=N)C#N;RRCYZMKQZGBSRK-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65179;MM65179;C=CC(=O)NC(=O)NCC;ATWQKUAFHZAUDM-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65180;MM65180;CCNC(=O)NC(=O)C=O;LJEHGCPJONYGAR-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65181;MM65181;CCNC(=O)NC(=O)C#N;RZWRAQDAODSKNN-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65182;MM65182;CONC(=N)NC(=O)C#N;CGRYYPMWJNELEM-UHFFFAOYSA-N;142.12;-1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65183;MM65183;C=C(C#N)NC(=O)NOC;DBWTUYSTDHYJRM-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65184;MM65184;C=CC(=O)NC(=O)NOC;FXQDWQDGEXHBGH-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65185;MM65185;CONC(=O)NC(=O)C#N;DVSZCARJMLAJPP-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65186;MM65186;C=C(NC(=O)C=O)OCC;NFUGYDFIUQMCNQ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65187;MM65187;C=CC(=O)NC(=N)OCC;CVVGZRUSWPNOIT-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03686;MM03686;CCOC(=N)NC(=O)C#N;GBHFDAGXMXEFLV-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65188;MM65188;C=CC(=N)NC(=O)OCC;VVVSYOCHVHRASW-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03648;MM03648;CCOC(=O)NC(=N)C#N;GHRLYXFHGJDQNG-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65189;MM65189;C=C(C=O)OC(=C)CCO;QWOUUCSMZLZVQW-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65190;MM65190;C=C(CCO)OC(=O)C#N;SLQLPOVRVNNNJD-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65191;MM65191;C=NNC(C)(CC)C(C)N;UKRHNDYLXTZGSO-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65192;MM65192;C=C(COC)OC(=O)C#N;FJHVWPBQQASUIH-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65193;MM65193;C=C(C=O)OC(=O)COC;KJXSFTLUUTUULG-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65194;MM65194;C#CCC(N)(C#C)C(C)N;UCYBSFSVDKRYIL-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65195;MM65195;C=NOCC(C=O)COC;MYKPORSWWCOHLN-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65196;MM65196;C=NNCCC(=O)C(C)=O;ZYIYOPCFDCCODR-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65197;MM65197;N#CCC(=O)CC(=O)C#N;SBAJTWRYUGIQNZ-UHFFFAOYSA-N;136.11;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65198;MM65198;C=NN(C)CC(N)C(C)C;HADFRPHJYAWBHW-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65199;MM65199;C=CC(=O)CC(=C)NC=O;URQWTZSIPAEWOP-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65200;MM65200;C=C(CC(=O)C=O)NC=O;OVJLGSSYZODHFH-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65201;MM65201;C=C(C#N)CC(=O)NC=O;DKEVPTSDNQCZPI-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65202;MM65202;C=CNC(=O)CC(=O)C=C;PNZPDPXYQNUEQF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65203;MM65203;C=NNC=C(C)C(N)=O;YZYXAXNHEWZPSQ-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65204;MM65204;C=NNC(=O)CC(=O)C#N;WZGDBYXIJHCIME-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65205;MM65205;C=NOC(=O)CC(=O)C=O;YPDFAYRYLKTDCW-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65206;MM65206;C=NOCCC=O;CXFFQWNMTHOZMC-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65207;MM65207;C=C(CC#N)NC(=O)C=O;AWOYLUCRDONXOM-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65208;MM65208;C=C(CC=O)NC(=O)C#N;WXVOALGZDLUMTM-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65209;MM65209;C=C(CC#N)NC(=O)C#N;FDYGIBZVIYEROT-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65210;MM65210;CC(N)C(=CCF)CO;UIRNSGBSCKOTLC-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65211;MM65211;CC(C)=C(CO)C(C)N;QOOPACGPBYOAPZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65212;MM65212;C#CC(CN)CO;DIJKJMSNBIZTCZ-UHFFFAOYSA-N;99.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65213;MM65213;C=CCC(N)C(=C)CO;IIFMWAVVTRAQJI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65214;MM65214;CC(O)C=CC(N)CCF;GDBVYLDPNCQIRJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65215;MM65215;C=CC(N)C(CO)C(=C)C;ZTBKOKTWTHAZLW-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65216;MM65216;N#CC(=O)NC(=N)CC=O;CHBAHWBPMRZNJP-UHFFFAOYSA-N;139.11;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65217;MM65217;N#CCC(=N)NC(=O)C#N;ILKAPWBEEOTJMN-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65218;MM65218;C=C(C=O)NC(=O)CC#N;FAJYVRYTYUPSDG-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65219;MM65219;C=C(C#N)NC(=O)CC#N;HHSBQJZPZGNAQA-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65220;MM65220;CC(O)CC(N)C=CCF;VHDOLONTEUSVTH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65221;MM65221;N#CC(=N)NC(=O)CC=O;WZJQDEBDSPTKLP-UHFFFAOYSA-N;139.11;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65222;MM65222;N#CCC(=O)NC(=N)C#N;HUVJJPOGBLRGKG-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65223;MM65223;C=CC(=O)NC(=O)CC#N;UVIMSUIQBPRFIK-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65224;MM65224;C=CCC(=O)NC(=O)C=O;DAEATCUMGVFGPR-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65225;MM65225;N#CC(=O)NC(=O)CC=O;BGEKHAGNONODBR-UHFFFAOYSA-N;140.1;-1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65226;MM65226;N#CCC(=O)NC(=O)C#N;DNIDTHHJVBXWFN-UHFFFAOYSA-N;137.1;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65227;MM65227;C#CCC(=CCO)CNC;ZTHGFXSTCVYUGW-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65228;MM65228;CCNCC=CCO;MBCBWROZUGSWOJ-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65229;MM65229;NC(C=CCO)CCF;DBRILVYPEYAGTL-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65230;MM65230;C=C(NC=O)NC(=O)C#N;XYDJFWFDRXFMMW-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65231;MM65231;CCC(N)COC(N)=O;NGKGRRKNIZAXRC-UHFFFAOYSA-N;132.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65232;MM65232;C=CNC(=O)NC(=C)C=O;UZXYAULWBPNWBA-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65233;MM65233;C=CNC(=O)NC(=C)C#N;RDPXKVSMGSXQFJ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65234;MM65234;C=CCCNC(C#N)C=O;IXTYPDGHRPHYDR-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65235;MM65235;C=C(C#N)NC(=O)NC=O;FFNQJBXXAITMHU-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65236;MM65236;C=NOC=NNC(=N)OC;MBDLAUKOIGQJFI-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65237;MM65237;C=CNC(=O)NC(=N)C#N;BWRGXUKIEKSGLM-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65238;MM65238;N#CC(=N)NC(=O)NC=N;CZIFRBGZMLNUBT-UHFFFAOYSA-N;139.12;-0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65239;MM65239;N#CC(=N)NC(=O)NC=O;FOHXDYBPNMBXAW-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65240;MM65240;C=CNC(=O)NC(=O)C#N;OZUVVIUEERPTND-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65241;MM65241;N#CC(=O)NC(=O)NC=N;LHEFRDHKUPCJQB-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65242;MM65242;C=NNC=NNCCOC;RICYYAXNJBFFPV-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65243;MM65243;C=NNC(=N)NC(=O)C#N;WFSDBKMUWFTVOT-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65244;MM65244;CC(C)=CC(N)CCO;AYSFYFRIYZITGT-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65245;MM65245;CCOC(C)OC(=N)NC;QRQBDFVYFCJUTD-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65246;MM65246;C#CC=NNC(C=C)=NN;NUWILPRWHWTUKG-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65247;MM65247;C=CC=CC(N)CCO;KCRSBIQIJXWDLI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65248;MM65248;C=CC(=O)NC(=N)OC=O;IBJMSHKAMCJCQS-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65249;MM65249;N#CC(=O)NC(=N)OC=O;CCBOATLMVOMKQK-UHFFFAOYSA-N;141.09;-1.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65250;MM65250;C=CC(=C)C(N)CCO;YDNOIDJHONOGBP-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65251;MM65251;C=NOC(=N)NC(=O)C#N;HTUAPVUXGRYPIV-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65252;MM65252;C=NOC(=O)NC(=C)C#N;HXOMLWSQDFTNOT-UHFFFAOYSA-N;139.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65253;MM65253;C=NOC(=O)NC(=N)C#N;CHJBXDQTSSJDEY-UHFFFAOYSA-N;140.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03624;MM03624;C=NOC(=O)NC(=O)C#N;YPDNHAQZRBGIHB-UHFFFAOYSA-N;141.09;-0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15998;MM15998;C=C(C=O)OC(=O)CC#N;HQUXNEGXCIQATL-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65254;MM65254;C=COC(C)OC(=N)NC;XZSZIXLLDUKMFK-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65255;MM65255;C=CC=C(C=O)NC(=N)N;DIICERQWOAJNAV-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65256;MM65256;C=C(C)C(CNC)=C(C)F;MOMBFGZDSFLSGO-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65257;MM65257;C=C(NC=O)OC(=O)C=O;NTHNSIKUGQPZAW-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65258;MM65258;C=C(NC=O)OC(=O)C#N;DBBQBKVGUKVUCR-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65259;MM65259;C=CC(F)(C=C)C(N)CN;BXNVIWKMDAEHTN-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65260;MM65260;C#CC(N)(C=C)C(N)CC;BXUYMPNWOXNWCF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65261;MM65261;N#CC(=O)OC(=N)NC=O;PGEAJUFDJLGVJB-UHFFFAOYSA-N;141.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65262;MM65262;C=NNC(=N)NN(C)C=N;XZLINKATUFXPSY-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65263;MM65263;C#CCC(=O)CC(=O)C=O;BUSOGQZYDBGFJF-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65264;MM65264;C=CC(CN)(CF)NCC;MTOWCDXPHSPNBX-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65265;MM65265;C=CC(C)NCC(=C)CC;RJHFYLVVUWMQRY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65266;MM65266;C=CC(C)CN(C=N)C=N;HQWTUBVLDJWMQX-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65267;MM65267;CCC(OC)OC(=N)NC;MVLHZILPDKXXNM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65268;MM65268;C#CC(CNC(C)C)NC;SICZHEFQJCNXCW-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65269;MM65269;C#CCC(=N)NC(=O)C#N;MHUOYBBNNAKLIC-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65270;MM65270;C#CCC(=O)NC(=O)C=C;NSBLNJFQQFCYAF-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65271;MM65271;C#CCC(=O)NC(=O)C#N;FKOWKJYSFQLWDN-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65272;MM65272;CC=CNC(=N)CC#N;XSADQEZSFLKFTA-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65273;MM65273;C#CC(=O)CC(=O)COC;GDRIDLFEVWRCJK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65274;MM65274;C#CC(=O)CC(=O)NCC;CVDKOXIEEAVVOA-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65275;MM65275;C=COCC(=N)N(N)CC;OPJXYGDHQVFHIK-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65276;MM65276;C#CC(=O)NC(=N)COC;AUPFKOTYNFPVEK-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65277;MM65277;C#CC(=O)NC(=O)NCC;RGAHVTQDABBJIV-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65278;MM65278;CCC(N=CNC)C(C)=O;CSWJAQQRFHDMLC-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65279;MM65279;C#CC(=O)NC(=N)OCC;JPXOGJFSHNIWBY-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65280;MM65280;C#CC(=N)NC(=O)OCC;PNCXJAGETBXVJK-UHFFFAOYSA-N;140.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65281;MM65281;C#CC(N)C(N)CC=CC;GZVRBASHWRJNEU-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65282;MM65282;C#CC(=C)OC(=O)CCO;BYSHPABGSWGSQG-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65283;MM65283;C=C(OC=CC)C(N)CN;HVXCXBHJSFDAQS-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65284;MM65284;C#CC(=C)OC(=O)COC;LAZUZHWQSDEVTI-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65285;MM65285;CNN(C)C(C)=NCCF;FLFPISOCYQARMC-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16042;MM16042;C#CC(=C)CC(=O)CC=O;KDFKAQLQVFFYOL-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65286;MM65286;C#CCN(C)C(=N)NN=C;CJAVPYXTIWWONC-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65287;MM65287;C=CCC(=NN)C(=N)NC;UZCXXALERUAOSY-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65288;MM65288;C#CC(=O)CC(=O)NN=C;DLPNSNDNONCNPE-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15768;MM15768;C#CC(=O)CC(=O)OC=C;LTMPHFJSFFDLDV-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15985;MM15985;C#CC(=O)CC(=O)ON=C;DUEREBNSDITFQD-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65289;MM65289;CC=NOCOC(=N)NC;OSBCTUFGSFVHBA-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65290;MM65290;C=CC(N)C=CCOC=O;MGBLGOLVGQNMAC-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65291;MM65291;CNN=CCC(C=O)OC;KXJLYMXNFPCESH-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65292;MM65292;C#CC(=O)NC(=N)CC#N;ITEMSIKDFGBMHU-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65293;MM65293;C#CC(=C)NC(=O)CC#N;IUJUKGDGJVHEPE-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65294;MM65294;C#CC(=N)NC(=O)CC=C;ZNFHVYIUYUOVHH-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65295;MM65295;C#CC(=N)NC(=O)CC#N;JJZTZPIRSOFGEZ-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65296;MM65296;C#CC(=O)NC(=O)CC=O;FDJFIWPJANRWOD-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65297;MM65297;C#CC(=O)NC(=C)NC=O;JDGVHWKQJJXJER-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65298;MM65298;C=CNC=NN=C(C)OC;KOTCIEKPABHMPM-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65299;MM65299;C#CC(=O)NC(=O)NC=C;IFQMJAPATXUERF-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65300;MM65300;C#CC(=O)NC(=O)NC=O;SYWUKXDZJBPUHP-UHFFFAOYSA-N;140.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65301;MM65301;C#CC(=N)NC(=O)NC;NLGCQAKCYOFVMI-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65302;MM65302;CN=C(NO)ON=CC#N;XWVWTYSUZZWYQC-UHFFFAOYSA-N;142.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65303;MM65303;C#CC(=C)C(=O)NC=N;GFBJFNBBEPNPCI-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65304;MM65304;C#CC(=N)NC(=O)NN=C;JSYCICYJYPKGLS-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65305;MM65305;C#CC(=O)NC(=O)NN=C;CKCKVZSPESBAPW-UHFFFAOYSA-N;139.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65306;MM65306;C#CC(=O)NC(=C)OC=O;QRCVJDAZVBBDEM-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65307;MM65307;C=NNC=NC(=C)CCN;GDWIAADMIDGGLV-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65308;MM65308;C#CC(=O)NC(=N)OC=O;XMDZUMVGCRKTKL-UHFFFAOYSA-N;140.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65309;MM65309;C=C(CN)C(CF)NCC;ATDXMQYPGSJUSO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65310;MM65310;CN(C)N=CC=NNC=O;GYONDFURCNZNEL-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65311;MM65311;C#CC(=O)NC(=N)ON=C;AXLFPRVWVSUZLK-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65312;MM65312;C#CC(=C)NC(=O)ON=C;BDXAYIQGBQIEEY-UHFFFAOYSA-N;138.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65313;MM65313;C#CC(=N)NC(=O)ON=C;RBFDIMASNDTTOH-UHFFFAOYSA-N;139.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65314;MM65314;C#CC(=O)NC(=O)ON=C;MGCPKUFOKWGDHB-UHFFFAOYSA-N;140.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65315;MM65315;C=COC(=CC)C(N)CN;ZEQUQMKNOAKOLR-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65316;MM65316;C#CC(=C)OC(=C)NC=O;SWXIBZFKGZEJMB-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65317;MM65317;CCC=C(OC)C(N)CN;FORFCTSYOQCYLN-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65318;MM65318;C#CC(=CCNC)OC=O;SATZNPAOQBUEJW-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65319;MM65319;C#CC(=O)OC(=N)NC=O;UGIREOQBYJLYMO-UHFFFAOYSA-N;140.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65320;MM65320;C=C(CN(C)C=NO)OC;NVBGIXICHOMZNN-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65321;MM65321;C#CCC(=N)NC(=O)C#C;OYESITFXMURYFR-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65322;MM65322;C#CCC(=O)NC(=N)C#C;CBUUEXVXDPZARI-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65323;MM65323;C#CCC(=O)NC(=O)C#C;VLOXEHHHDSRHHY-UHFFFAOYSA-N;135.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65324;MM65324;C#CC(C(N)CC)N(C)C;LPFCGFPNWJTAKC-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65325;MM65325;N=CNN=CC#CC(=N)N;NZQQBBSUFRIXRG-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65326;MM65326;COC(=C(C)C)C(N)CN;FHSMMHQCTQEXEG-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65327;MM65327;C#CC(OCC=C)C(C)N;KNCUWEVPEPOCML-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65328;MM65328;C#CCOC(C#C)C(C)N;NPPCACGLYARQIH-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65329;MM65329;CC(CF)CC(O)C=NO;GKSAQOOMSJDQNF-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65330;MM65330;CNN=CC(OC)C(C)N;YZWZGKLKFVWUOZ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65331;MM65331;C=NN=CC(OC)C(C)N;UQGQQIYAOJPSSZ-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65332;MM65332;CON=CC(=CF)C(=N)N;RMJXYNFZGWBWIZ-UHFFFAOYSA-N;145.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65333;MM65333;CC(N)C(=CC=NO)CF;IAQVVRFDCPHCCM-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65334;MM65334;C#CC(O)C(=NN)NO;AJANRHPPLPDCDY-UHFFFAOYSA-N;129.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65335;MM65335;C=NNCC(=C)C#CCO;UKNXDAOGRWHARG-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65336;MM65336;C#CC(CN)NCCCC;YYNAARDHGXWFSI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65337;MM65337;CCNN=CCC(O)C=O;AOIZJQKHLLAQQH-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65338;MM65338;C#CC(C=C(C)CN)=NO;PFRSSHKFXFRWAT-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65339;MM65339;CNC(=O)NN=CCCN;LJEMPCIPZDFMMP-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65340;MM65340;C=CC(CC)N=CNC=N;JRLVZLHOPUBJPC-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65341;MM65341;CN=C(NCCCN)OC;KEBUNDYSNNXSFC-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65342;MM65342;CCC(=O)NN=CCCN;KIIBMAUDIBELAP-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65343;MM65343;CCCN(C)C(CN)CF;ZNXDSVGYBIRJNY-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65344;MM65344;C=CC(N)C=C;PGDDUGFZXIFZHJ-UHFFFAOYSA-N;83.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65345;MM65345;CC(C)N=CNN;ITJYEQVBKJRMBF-UHFFFAOYSA-N;101.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65346;MM65346;C=CC(=O)NN=CCCN;IIKMLWANULFIMC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65347;MM65347;CCC=NNCC(=O)CO;WDXFMCDFOSMPOC-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65348;MM65348;C=C(C=O)C(N)=NC;IFDAOHHCPVSVNQ-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65349;MM65349;CC(C#N)CN(O)C=NO;UDMGULVDQMHLBW-UHFFFAOYSA-N;143.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65350;MM65350;CC=C(N=CN)NC(C)=O;FMZWNUUUHCJXAN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65351;MM65351;C#CCC(O)(CN)C(C)F;BMSKOYHVUJMHAK-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65352;MM65352;N=CNC=C(F)CF;KZJIXLJSUUZRFG-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65353;MM65353;C#CC(C)(F)C(O)CNC;SZTJJJDRMOCKOO-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65354;MM65354;CC=CC(O)(CN)COC;XJKRJQQBTPAOAC-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65355;MM65355;CNN=C(C)CC(N)=O;FDUDIXJFXMGFQA-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65356;MM65356;CC=NNCC#CC(C)O;WTLSTGAASZFFQX-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65357;MM65357;C#CC(C)CN(O)C=NO;YKMDOUGDRNPRSL-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65358;MM65358;C#CCN(O)C(=NC)OC;PFJMMUDRZOFXPG-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65359;MM65359;C#CC(O)CN(O)C=NO;HFXSBOKEMDATKX-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65360;MM65360;CCN(C=NC)NC;QIFQDDDWPJPCQG-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65361;MM65361;CCC(=O)CC(O)C=CF;ICTGUUKLKMRBAZ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65362;MM65362;CCN(OC)C(C)=N;DMKDROYLCWNVKS-UHFFFAOYSA-N;116.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65363;MM65363;C=CC1(CN)CN1C;AQFGGMMHIVHHPS-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65364;MM65364;C=C(C)C(O)(CN)C(=C)C;YNNIMJZJIXZOJN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65365;MM65365;C=C(C)C(F)C(C)(C)N;AHAJUGMEBNUBKR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65366;MM65366;C=CC=NNCC#CCO;JVMQKVSOXQXQQN-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65367;MM65367;C=C(OCC)C(C)(O)CN;MSFASDYWZHTFOR-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65368;MM65368;C=NNC(C)(C)C(C)N;UMPZXWWLZBXWFV-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65369;MM65369;C=CC(=C)C(O)(C=C)CN;SFHUMCUDEGBJDP-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65370;MM65370;C=CC(N)CC#CCO;SDIVOJKLWMGIIY-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65371;MM65371;COCCC(C)(N)CF;OPADTRJNWJMUIE-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65372;MM65372;C=COC(=CC=NN)CO;HFIKHUQYFAILDF-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65373;MM65373;C=C(CO)CN(O)C=NO;QOIVHUYIRYDWLZ-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65374;MM65374;CC(N)C(C)(O)CO;QAGAJQYZYDUGCS-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65375;MM65375;CN=C(C#CC(C)O)NC;RWGGDTWAACWIJA-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65376;MM65376;CC(C)N=CN(C)C=N;YGLSSYPZTMDSQK-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65377;MM65377;C=CC(CF)OC(=N)N;XOEFIOMQABFGCM-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65378;MM65378;C=NOC(C=NN)CO;PEPWLKYJVUAPPJ-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65379;MM65379;CCNC(=NC(N)=O)NN;RZYGRXAVBFNOSB-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65380;MM65380;C=C(C=NN)CNCC;CFRKZLCKJXQFEZ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65381;MM65381;C#CC(C#CC)C(O)CN;LAKIVXXTTSACNO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65382;MM65382;C=C(C)C(C)N(N)C=N;MPVWNAYTOBXLLP-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65383;MM65383;CC(O)(CO)CCN;JYFNMVUBSSKMTJ-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65384;MM65384;CC=CC(O)CC(=O)C=O;NMLUTOLYHYNBIL-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65385;MM65385;N#CC(=O)CC(O)C=CF;PEEUJVUOUGHETC-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65386;MM65386;CC(C=NO)CC(=O)C=O;HCZHPIAEQOSQAD-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65387;MM65387;CC(C=NO)OC(=O)C#N;JFSHEBCELPZJBE-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65388;MM65388;C=C(C)C(=N)N(C)OC;UGPIWODARFBLAV-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65389;MM65389;CN(C=NO)CC(=O)C#N;UMMNFVKGNHXLKJ-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65390;MM65390;C=CC=COCC(O)CN;OLXKJRDBLZAQPF-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65391;MM65391;C=C(C#N)CN(O)C=NO;YSCOHEJHLVICCR-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65392;MM65392;C=NNCC(N)C(C)C;WHVRUGCWEUZPGC-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65393;MM65393;COC(=NN)N(C)O;PMLSKOTVNZDIPS-UHFFFAOYSA-N;119.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65394;MM65394;C#CC(C)(C=NN)C(C)O;UCHITCRESPHJLA-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65395;MM65395;CC(CF)N=CNC=N;KARFVIKYMMYFHU-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65396;MM65396;CN(C=NO)OC(=O)C#N;SRZYIPPLUDKMOU-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65397;MM65397;CC=NNC(C)(C=O)CO;LATNAHYGQRVLDI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65398;MM65398;C=NNC(C)C(N)CC;VPPHVLSZOVKODQ-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65399;MM65399;C=CC(=C(C)F)C(O)CN;KNTWGFFHSRFNTR-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65400;MM65400;CCC(C)OCC(O)CN;GZZIVFXCPZAJMZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65401;MM65401;CC=CCOCC(O)CN;VVKQLVPQISQDBF-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65402;MM65402;CCNC(CF)CNC;XHNBYIRZQZQAGM-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65403;MM65403;C#CC(=O)ON(C)C=NO;XVPWXJRZIKACKG-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65404;MM65404;C=CC(NCC)C(=C)C;RZWNMUCZFFDULF-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65405;MM65405;C=CN(C=N)C(=C)OC;AZUFXEUVGZPOMI-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65406;MM65406;C#CC(=CCNC)OC;DKZHNMXHTGZASP-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65407;MM65407;CCC=CN=CNNC;JBCZNSMJKNRLJL-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65408;MM65408;C=CN(O)C=NC=NOC;XMYQQFYYGPDEKI-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65409;MM65409;CCCCOCC(O)CN;OQUPTZQPAWAAMK-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65410;MM65410;C#CC(CO)NN=CC;DQZSXPHHJUEVDX-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65411;MM65411;COC(C)OC(=O)C=CN;IVKBPITVAJAFOH-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65412;MM65412;CC(C)(C)C(C#N)NC=N;CGBQVLZBNXLBET-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65413;MM65413;C=C(C=NO)OC(C)OC;JDXKQUJLFDJJTF-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65414;MM65414;CC(C#N)CC(=O)C=CN;AEVVCQOJHUPZOA-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65415;MM65415;C=NN=CC(=C)C(O)CN;IPIDPFRHHRJZPD-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65416;MM65416;CC(C#N)OC(=O)C=CN;UTRQCPPKXZCVPH-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65417;MM65417;C=C(C=NO)CN(N)C=O;RYQNPSLLXGYNHX-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65418;MM65418;C=C(C(C)=CF)C(O)CN;PCTBTPOGIXYNBY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65419;MM65419;C#CC(O)CC(=C)C=NO;NCXMRRROFCTISB-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65420;MM65420;CC=NOCC(C)O;MPDFTASWKGTWAD-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65421;MM65421;C=CC(C)N(C)N=CCO;JACHTEBPLYKOHT-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65422;MM65422;C=C(CC)CC(=O)C=NO;ZMCKEHKRZGOYKH-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65423;MM65423;CC=CC(=O)CC(=O)NC;KZAYYFVEISDQNT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65424;MM65424;C=NNC=NNC(C)CO;JXIHUBFAYUIASL-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65425;MM65425;C=C(CC(=O)C=CN)OC;PDZVZKYTWCTHAJ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65426;MM65426;CCON=CNO;XOPCODIHKLATQU-UHFFFAOYSA-N;104.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65427;MM65427;C=NOCCC(C)(N)CF;JKCMFEYHAPEJES-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65428;MM65428;N=C(C=CN)NC(=O)CF;MGJCDXWEMYFRAA-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65429;MM65429;N=C(CF)NC(=O)C=CN;VDENWELJPLZQRJ-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65430;MM65430;NC=CC(=O)NC(=O)CF;ZQGMZQCDYAPJFT-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65431;MM65431;CCC(N)C=C(CO)OC;AKMGRXPTXWPCOS-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65432;MM65432;C=NOC(C)(C)C(N)=O;DXPQIWDBVZDPJV-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65433;MM65433;C#CC(=CC=NN)CCO;UHVZZRILZXVLNF-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65434;MM65434;CC=CC(=N)NC(=O)NO;XWNLPKWNPTVNOU-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65435;MM65435;C=CNC(=NNC)ON=C;BDFCYTMORSSXSB-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65436;MM65436;CNC(=O)NC(=O)C=CN;WXQDPSKYIVIEDC-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65437;MM65437;CC=CC(=O)NC(=O)NO;GKEKAACSAVRBFG-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65438;MM65438;CC(C)(CN)N=CNC=N;UOTSFZAOCTVNNJ-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65439;MM65439;CCCC(=O)CNCC#N;FJQCLFMKQICTSF-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65440;MM65440;C=C(NC(=O)C=CN)OC;GGICRCRASDDUIZ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65441;MM65441;C=C(NC(=O)C=NN)OC;VTGQEVUJSLIBCZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65442;MM65442;C=C(CO)OC(=O)C=CN;HTXUGEHBEIYCRO-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65443;MM65443;CC=NNC=NNC;UOTWQJWKZKPNGR-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65444;MM65444;CNN=CCNN=COC;ZEQVMYMWWMPGIH-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15825;MM15825;C=C(C#N)CC(=O)C=CC;NTDOQUGMPHWXLN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65445;MM65445;NC=CC(=O)CC(=O)C=O;VDKAAYCDSGOSKL-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65446;MM65446;C=NNC=C(N=NC)NN;POHXDCPGGCYLRF-UHFFFAOYSA-N;142.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65447;MM65447;C=NOCCOC=NN;PHDHPCBEDQMSAJ-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65448;MM65448;N#CC(=O)NC(=N)C=CN;VYFNKHPXTVBLRK-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65449;MM65449;C=C(C#N)NC(=O)C=CN;DHAACVWONFSVEQ-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65450;MM65450;C=CC(=O)NC(=O)C=CN;BADOWPNWKAUSJD-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65451;MM65451;CC=CC(=O)NC(=O)C#N;AXYJACCJYKESGH-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65452;MM65452;N#CC(=O)NC(=O)C=CN;HEFROWPFCLCEQA-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65453;MM65453;C=NNC(N)=CC(=O)CC;FPLUGQMPFFZUTI-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65454;MM65454;C=NNCC(=N)N(N)C=O;PILDNPJPHOHUAZ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65455;MM65455;C=NNCC#CC=NNC;BYKZGSHSXCGTLA-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65456;MM65456;N=CN=CN=CNC(N)=O;XZKIEUDFSDIJAV-UHFFFAOYSA-N;141.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65457;MM65457;C=CC(=C)NC(=O)C=NO;GKLHTZCQPGVPJV-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65458;MM65458;C=CC(=O)NC(=O)C=NN;DRBDLWGCGXONBX-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65459;MM65459;N#CC(=O)NC(=O)C=NO;PAENASDDTUULCW-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65460;MM65460;C=C(C=NO)OC(=O)C#N;WRFTVXGNKBOTMV-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65461;MM65461;C=CNC(=N)NC(C)C#N;KVTYKSHVARGSJI-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65462;MM65462;C#CC(=C)NC(=O)C=CN;SRNKFVCHVSXBHX-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65463;MM65463;C=C(C=O)OC(=C)NC=N;GOMCNHQLYQLWQB-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65464;MM65464;C#CC(=O)OC(=C)C=NO;JZODHPGLOGRTBG-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65465;MM65465;CC(C)C(=NC=N)NC=O;NBWGPSKAVHAPCB-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65466;MM65466;C#CC(=C)OC(=O)C=NO;RSFNSDWIDISHLB-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65467;MM65467;C=NNC(=O)N(C)NCC;LCNPCDMHQLNDPQ-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65468;MM65468;CNCC(F)=CC(C)NC;CXNDCJVQRCINOW-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65469;MM65469;C=NN(C=N)C=NCC#N;ZNGGUWPUONKSGR-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65470;MM65470;CNCC(CF)NC(C)C;DXZHBWOSKUDNHT-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65471;MM65471;C=NNCC=NNC(N)=O;RWCWIICJOBKHRZ-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65472;MM65472;CCN=CNN(C)CCF;GMBNMZKHUWANHC-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65473;MM65473;C#CC(O)CC(O)C#CC;CPTDDOMBYCJAFD-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65474;MM65474;CC=NOCC(=N)N(C)C;WJAKFYOQPBOGJP-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65475;MM65475;C=NN=C(CCN)ON=C;KRBPMJLCIAYORR-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65476;MM65476;C=C(CC)C(N)(CN)CF;VWISFRLIBQWDPU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65477;MM65477;CC#CC(C)NC(=O)NC;KUSNISPCTQLOEK-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65478;MM65478;C=CC(O)C=CC(C)NC;IKOBLVOMVUNEDK-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65479;MM65479;CC#CC(C)NC(=O)NO;KRFIWTCSUSJHLC-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65480;MM65480;CCC=CC(N)(CN)CF;KYIGQGFIMTULMU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65481;MM65481;CC#CC(C)NC(=O)OC;VGBRWHJRLAYBKJ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65482;MM65482;C#CC(=O)CC(O)C#CC;WSRNCXFEUORLAK-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65483;MM65483;C=CC(C)NC(CN)CF;ABUXLEIRVMDMFT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65484;MM65484;C=C(CC(=N)NO)C(C)O;SACHHTTWXCIOMN-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65485;MM65485;C=CCC(N)(C=C)CO;USADOMMUVZCTKT-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65486;MM65486;C#CC(C#C)OC(=N)NC;FZLLNNUSEUZWCL-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65487;MM65487;CN=C(NC)NC(C)C#N;VKIQNOTVZDCXNM-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65488;MM65488;CN(O)C(=N)NC=N;LLKHKQIBHWWHAI-UHFFFAOYSA-N;116.12;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65489;MM65489;CC#CC(=O)CC(=O)NC;AKOXARRLCIMTOX-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65490;MM65490;CC#CC(=O)CC(=O)NO;JAAOQDQTNMQFLE-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65491;MM65491;C=CC(N)CC(O)C(C)C;JDOLDAINCUNYDL-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65492;MM65492;CC(=CF)CC(=N)NO;PEKQFFJZRIABHR-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65493;MM65493;C=C(C#CC)NC(=O)CO;QKGYCLSMOJGOSC-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65494;MM65494;C=CC(=N)N(N)C(=C)OC;HLEOCRWAWPYRMF-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65495;MM65495;C=C(CF)C(C)C(=N)NO;HGDXOAARSUPAHU-UHFFFAOYSA-N;146.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65496;MM65496;C#CCCC(N)C(N)C#C;YHADSTVRFAPCKK-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65497;MM65497;CC#CC(=N)NC(=O)CO;ACUFBTBCRQQJGO-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65498;MM65498;CC#CC(=N)NC(=O)CF;BKIYDFOAGDWZIC-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65499;MM65499;C=C(CO)NC(=O)C#CC;MFQOPKSEDBMXHS-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65500;MM65500;CC#CC(=O)NC(=O)CF;XXBDYITUOQANCW-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65501;MM65501;C=C(C#CCN)C(C)NC;KYGBBDMLZUWGGA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65502;MM65502;N#CC=C(N)C(=N)NO;KJYGEWVXKFOURD-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65503;MM65503;C#CCC(C)(CN)CO;PCSVKEWHEDOZIZ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65504;MM65504;CC#CC(=N)NC(=O)NN;LJRNDOINGIWEEB-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65505;MM65505;CC#CC(=N)NC(=O)NO;YDIOUGFHYIEEIU-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65506;MM65506;CCC(CO)N(C)C;LUWCDIUTGJVEQX-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65507;MM65507;CC#CC(=O)NC(=N)OC;IIBSBFNHUQRJLI-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65508;MM65508;CNCCN(C=N)CC#N;JRLZXMWKBNNWDY-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65509;MM65509;C=CC(N)CC(O)CCF;KLEMCUYADLNSNW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65510;MM65510;CC=C(CO)C(C)N;VIPIVEFSYNRLQM-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65511;MM65511;C=C(CO)C(C)N;LFMVSBJHTJKUCB-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65512;MM65512;CC#CC(=N)NC(=O)C#N;FQKOSBPWRIKDGH-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65513;MM65513;C#CC(=O)NC(=N)C#CC;RNEJVZOLSLBUMC-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65514;MM65514;CCNC(=NC)NCC#N;MAVXLWFSJAIJES-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65515;MM65515;CC=C(C=NN)CNCC;OUKWTGPLOVIUQH-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65516;MM65516;CC#CC(=NC)NCCN;UBMBLOYEPCXYER-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65517;MM65517;OCCC(O)CC(F)=CF;OYYXXUPOMWNKAI-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65518;MM65518;CCN=C(NC)NCC#N;MAVXLWFSJAIJES-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65519;MM65519;C=NN(C)C(=NC)N(C)N;MUYXYBATRPSTKY-UHFFFAOYSA-N;143.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65520;MM65520;CNC(C)C=CC(C)O;TWDMYTQHNKUURN-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65521;MM65521;C#CC=CC(=NC)N(C)N;WSLWAHIOLWYDJT-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65522;MM65522;C=CC(N)CC(C)O;TURHDOBHLOSTEB-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65523;MM65523;CC=CC(N)CCO;KAVDMSIDIJXTAT-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65524;MM65524;CN=C(NC)NN=CNN;OQADJTKKJDPPMO-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65525;MM65525;CON=CCN=CNC=N;ZUGLZNULLDRQJV-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65526;MM65526;C=NN=CCN=CNC=N;NKEYLWWXLOZBJU-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65527;MM65527;CNNC(=O)CC#CCF;OEDACHSBKYRFII-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65528;MM65528;CN1CC1CN;YZRUIEXVUWFRMZ-UHFFFAOYSA-N;86.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65529;MM65529;C#CC=NNC(=N)NC=C;QUDTWHMTPMQHFA-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65530;MM65530;CC(CC(F)CC#N)=NO;NBEWJEALMVVJQO-UHFFFAOYSA-N;144.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65531;MM65531;CC(CNC=O)CN(C)C;CINZAJAHRPZKFA-UHFFFAOYSA-N;144.22;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65532;MM65532;CNN=C(C)NN=CC#N;GKFAYRQTHQINBO-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65533;MM65533;CCNC(=N)OC;BBCTXXCVEFOEHE-UHFFFAOYSA-N;102.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65534;MM65534;C#CCC(CC=O)NC;ZHRIRQXNRRJRBP-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65535;MM65535;CNC(=N)OCOC;YWRPJRXKRQFRDA-UHFFFAOYSA-N;118.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65536;MM65536;CCC=NNC(=N)N(C)N;GYBKYTWCRRJXHL-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65537;MM65537;CC(=CF)C(=O)CN=CN;SHEXNUXRODWJSE-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65538;MM65538;CC(C)=NN(C)C(=N)NN;NSMWNXGBLJMLPX-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65539;MM65539;CNC(C)C#CCN;SMUAMCSDYAZTJN-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65540;MM65540;C=C(C)C(=O)CN=CN;DNNJJYDINXOHAQ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65541;MM65541;COCC(=O)CC(C)=NO;QMSXPFQVOUPIBJ-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65542;MM65542;CCNCC#CCN;FJPMKTMONILJOQ-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65543;MM65543;CC(C)(CF)OC(=N)N;NVGILRCXWJKLDB-UHFFFAOYSA-N;134.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65544;MM65544;COC(=O)C(C)(C)CN;YAVPDSQCYSZORP-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65545;MM65545;C#CC(=C)CNC(C)C;JQNZQDNWJCTBGY-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65546;MM65546;CC=C(C)NC(=O)NOC;RFHGQRWXSKJKHC-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65547;MM65547;CCOC(=O)NC(C)=NC;KPGXQKVRAPCIHJ-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65548;MM65548;CN=C(CF)NC(C)=N;LNFWJRPRWWRSIW-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65549;MM65549;CC(=CF)OC(=O)CCO;SDWFYZWQNXDENT-UHFFFAOYSA-N;148.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65550;MM65550;CNN=CNN(C)C=N;NEBQEVSMCYKRJU-UHFFFAOYSA-N;129.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65551;MM65551;CNN=C(CCC#N)NC;XFPVYQGAICMUGY-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65552;MM65552;C#CC=CNC(=NN)NN;YKIUHTGVLJFRKN-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65553;MM65553;CNCCC(=O)C#CC#N;MLVYVIAYDYPIJC-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65554;MM65554;CCCNCCOC=NN;WTBMXKMWSOHSFN-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65555;MM65555;C#CC=NN(CC)C(=N)N;ISOYOVHHCRBKBP-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65556;MM65556;C=CNC(=O)CC(C)=NO;SYTDHXNYAVAFHG-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65557;MM65557;CN=CNN(C)CC#N;VMVKCADEICJLCU-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65558;MM65558;CN=C(C)NC(=O)CC#N;UUCSYSMYHHMVFT-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65559;MM65559;CN(C)CCC#CCN;LXODKNUUZDYROZ-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65560;MM65560;C#CC(C#N)=C(C)NC=N;YUFOUQKLRVWNRU-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65561;MM65561;CCN(N)C(C=CN)=NC;WFBQCZDOPYHAFF-UHFFFAOYSA-N;142.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65562;MM65562;C#CCC(F)=CNC=N;ADHVYOZWNBIEBT-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65563;MM65563;CC=C(C)NC(=O)NC=O;ITBBNTXZELPRRK-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15403;MM15403;C=NNC(=O)NC(C)=CC;ROEFFZFTQCHJOR-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65564;MM65564;N=C(N)C#CC#CC=NO;AHHCYDVBKWYOHG-UHFFFAOYSA-N;135.13;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65565;MM65565;C#CC(C=NO)C(N)C=C;GPVHWDTYRJAZPH-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65566;MM65566;CC(=NO)C(C)OCCN;WFISEOMYIASSRK-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65567;MM65567;C=NNC(=O)NC(C)=NN;KJXSCNDWJQLHEB-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65568;MM65568;CCOCOC(=N)NC;WCRRSKPORRTTOG-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65569;MM65569;C=CC#CCC(=O)NNC;OYQJEASLQJZKSS-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65570;MM65570;C=NOC(=O)NC(C)=NC;VHRADDKVFQORJF-UHFFFAOYSA-N;143.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65571;MM65571;C=NOC(=O)NC(C)=NO;FRFSWZPVEOPPIY-UHFFFAOYSA-N;145.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65572;MM65572;NCC=CCC=NO;JURQWZRBKYONNC-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65573;MM65573;CN=C(CC#N)NC;RJSGEQUFVGURHI-UHFFFAOYSA-N;111.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65574;MM65574;CCNNC(=O)N(C)CC;RMMVSUXKQQCSPC-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65575;MM65575;CCC(C=NNC=O)CN;NFQRXUAGLJKAFU-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65576;MM65576;CC(=NO)OC(C)C=NN;WVJRHSJJPAMZFZ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65577;MM65577;CC=C(C)C(C#N)C(=N)N;ILYMZUOIZRJNPZ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65578;MM65578;C=COCOC(=N)NC;XOMZZMPSGODSGL-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65579;MM65579;CC(CC(=O)C=CF)=NO;UJNQDLCVAVZVRR-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65580;MM65580;CC(C=CF)N(N)C=N;HQQNMRIMGZHSQH-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65581;MM65581;CC=NN(C)CC(O)C=O;CDLKXWVUPZCTGJ-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65582;MM65582;C=NN(C)CC(C)(F)CO;XYXRADWUXWTTTC-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65583;MM65583;C=C(C=NN)OC(C)=NO;LZBGRLYPYRWVNK-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65584;MM65584;C=C(C=NO)OC(C)=NO;WDGXDGZPVWTFEZ-UHFFFAOYSA-N;144.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65585;MM65585;CC#CC(O)CC(C)=NO;HYAXRAOWVAPELE-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65586;MM65586;CNC(C)(C)C(C)(O)C=O;TZLACIBGGQEZTF-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65587;MM65587;CC#CC(=O)NC(C)=NO;KQWJRZKGSRIQHM-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65588;MM65588;CC(=CCO)CC(O)CO;YBQPOBVHFMYVBT-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65589;MM65589;C=C(C=NN)C(C)NC;PJDIOVIUKZWHOS-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65590;MM65590;CNCC(CF)CC#N;VSCGNJXLRJLDSJ-UHFFFAOYSA-N;130.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65591;MM65591;C=CC(CNC)OC=O;TWGOVFOCSSTTGA-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65592;MM65592;CNC(C(C)C)C(C)F;LFZVAHGDDXXTQC-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65593;MM65593;CCC(C)(NC)C(O)C=O;FITSEKPZCFGGIM-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65594;MM65594;COCC(C)(C)OC(=N)N;AWRAOGXRSHXKTM-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65595;MM65595;C=CC(C)(O)C(=N)NN;ZAYALEOFZSXSPF-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65596;MM65596;C=CC(O)(CN)C(C)=CF;MBWCSGJFUOXARI-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65597;MM65597;C#CC(CN)NC(C)(C)C;ABBAKXYNERGXDZ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65598;MM65598;C=CC(CNC)OC(C)=O;NIYCOWPNYGJPLG-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65599;MM65599;C=C(C)C(O)(C=CC)CN;VAVFYXITBYCCFU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65600;MM65600;C=NOCC(C)(O)CC=O;OPHBGBDWSPDTRI-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65601;MM65601;COC(=CC=NN)CO;WCXDTIPDRKKLCL-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65602;MM65602;C=CC(O)(CN)C(=C)C;WPSYFHAWNZWOEF-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65603;MM65603;CC(=CC#N)OC(C)CO;UJFYZULNCZZMFY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65604;MM65604;C=CC(O)(C=COC)CN;GNPDEYRJSJVJSP-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65605;MM65605;COC(C)OC(C)=CC#N;LGIJGXAMXNUOKS-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65606;MM65606;CC(=NCCC#N)NC=N;ZZWMTUZYMXGPNU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65607;MM65607;CCN(C)N=C(C)NC=O;HQGRXZXFEODUEZ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65608;MM65608;COCC(C)C(=N)NOC;AUJKEVKBWVJLAK-UHFFFAOYSA-N;146.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65609;MM65609;C=CC#CC(CO)NN=C;USEACSXDYLGBJV-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65610;MM65610;C#CC=C(F)CC(O)CO;MPMRVEVRXQFBRH-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65611;MM65611;C#CCC(=N)N(C)NCC;VTWANSMDIQXNQP-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65612;MM65612;C#CCC(O)C(C)(N)C=C;OOIJRLHATGJICB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65613;MM65613;COC=C(C)CC(O)C=O;OSVVFMCMQGBXCK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65614;MM65614;CN=CN(C)N(C)CC#N;USTFATYBKQOKIB-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65615;MM65615;C#CC(C)(CN)C(O)C=C;BRNHRVQTCKAMTC-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65616;MM65616;CC(C)=CC(=O)C(=N)NO;QCDHQAFWGYSJDU-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65617;MM65617;CCNC(=N)N(N)C(C)=O;CCYILQYFUGZKCB-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65618;MM65618;CC(=CCO)OC(C)C#N;ICNYOINLKWRGTJ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65619;MM65619;C#CC(CO)C(C=C)=NN;IYPSMOGEDPIKTA-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65620;MM65620;CC=C(CF)C(O)CN;YQWUTMGCZVCTPF-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65621;MM65621;CNC(C)C=C(C)NC=O;BIJCQPYARLEQDJ-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65622;MM65622;CNCC(CNC)=C(C)F;CBYAAKSNQBFLJH-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65623;MM65623;C#CC(CN)(CCC)NC;IDQPHCINMGRLNG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65624;MM65624;C#CC(C)C=NNCCO;HFPYBSNXKLLAEZ-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65625;MM65625;COC=C(C)CN(O)C=O;UDDXQTJHBPFUHH-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65626;MM65626;C#CC(C=C)(C=O)C(=N)N;JTPLHSFUCGAZTC-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65627;MM65627;CC(=CC=O)CC(O)C#N;GNPXDAMNZQRTHF-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65628;MM65628;CC(=CC#N)CC(O)C#N;SHDBWZMTHWBWGH-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65629;MM65629;C#CC(C)=C(C)C(O)CN;BRMWPNSAHBSPEB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65630;MM65630;C#CC(C)C(=C)C(O)CN;HYQJBVMNYWEIRM-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65631;MM65631;N#CC=C(N)CC(O)C#N;WVNYYEVWFNZLEF-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65632;MM65632;N#CC(F)CC(N)=CC=O;ZDIMTFVFKBBTEV-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65633;MM65633;N#CC=C(F)CC(O)C#N;QQKZSNDYVYXIOG-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65634;MM65634;CC(=CC=O)NC(C)C#N;WXMZXBDWCUWYTC-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65635;MM65635;CC(C#N)NC(N)=CC=O;FVZIBDOSEQDKLJ-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65636;MM65636;C=C(CN)CNC(C)CF;PSPRXCAEEQMTTG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65637;MM65637;C=CCC(=C)C(O)CN;DKQYPBAKQNGTRB-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65638;MM65638;C=C(CC=CF)C(O)CN;WEOOYWMMJQSDSQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65639;MM65639;CC(=NC(C)C#N)NC=O;OWSAJSQXXLISPM-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65640;MM65640;CC(=CC#N)OC(C)C=O;QEWNNMRQGVHTLR-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65641;MM65641;CC(=CC#N)OC(C)C#N;WRVCGQBMWRFYEG-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65642;MM65642;CC(C=O)OC(N)=CC=O;USALAYCRPTVABR-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65643;MM65643;C=CCC=C(C)C(O)CN;KRBGXOHOWZPBEX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65644;MM65644;CC(C#N)OC(N)=CC=O;QJSDJKFPEPBPIM-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65645;MM65645;CNC(=CC(=N)NN)OC;PNOGNZUYNABBFQ-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65646;MM65646;CC=C(C)C(F)C(N)CN;PDISMIJGCJWQHI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65647;MM65647;C=CCNC(=N)NCC#N;RYMSMXDILJSEMA-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65648;MM65648;CCCOC(=N)N(C)CC;LIQKYWDMCNTCRA-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65649;MM65649;C=C(C=NNC)C(C)NC;JHZMDZIUAAWTGV-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65650;MM65650;N#CC=C(N)CN(O)C=O;FQUIEUMGJKJBDK-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65651;MM65651;C#CC=CC(=N)N(C)C=N;WKKPRWQMNJJSFX-UHFFFAOYSA-N;135.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65652;MM65652;CCCOCOC(=N)NC;DBLWBSOCXITICR-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65653;MM65653;N#CC=C(F)CN(O)C=O;GNSDJVFWUMQNJP-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65654;MM65654;C=CCOCOC(=N)NC;PNKFNYAIWFHHLF-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65655;MM65655;CNC(=N)OCOCC#N;RXGBANMQQZSOAF-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65656;MM65656;CC=CN(O)C(C)=N;XJGGALMQBJEHHW-UHFFFAOYSA-N;114.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65657;MM65657;C=NN=C(C)CN(O)C=O;OVVSRFQCKMUXFY-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65658;MM65658;CC(=CC#N)NN(C)C=O;YHFNDDYNNNXDGY-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65659;MM65659;C=CC(O)C(C)(C)CN;IKEYXGPYBNODHJ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65660;MM65660;CC(C)CC(N)(CO)CO;YKXQZOCEPDWIPS-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65661;MM65661;C#CC=C(F)CC(O)C=O;XLOKTUYDSZVRCC-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65662;MM65662;C#CCOCOC(=N)NC;VQRBXZUSDODSOH-UHFFFAOYSA-N;142.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65663;MM65663;CC=COCOC(=N)NC;YZSUNRIUBWOXPU-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65664;MM65664;C#CC(=CC(C)N)C(C)O;OLFZJXBWGZBOID-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65665;MM65665;CN(C=N)C=NCCC#N;DTURGSPWOUMZKO-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65666;MM65666;CNC(CC=NN)COC;JPYYKYMITVLMQD-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65667;MM65667;CC=NOCC(CN)NC;YXTHAVDKKIUQDB-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65668;MM65668;C#CC(C)OC(N)=CC=O;QBIXZIJVIBAMFZ-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65669;MM65669;CCN(C=O)CC=CCN;FPKZCYZWCKXVID-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65670;MM65670;CC(=CCF)CC(=O)CO;RDDTWPHVVLRAJQ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65671;MM65671;N#CC(F)C(=N)NC(=N)N;JQHARHAWIBDFTM-UHFFFAOYSA-N;143.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65672;MM65672;C#CC(=NC)NC=CCN;AEQMCUGZRLKNAE-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65673;MM65673;C#CC(NC)C(C)NCC;NOQLRDYLRABBIV-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65674;MM65674;CNC(=N)OC(C)CO;SDEPBMSUDKXXAH-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65675;MM65675;CC(C)(C)NC(CO)CO;VMBFZZHWXXGCAW-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65676;MM65676;C#CCC(=C)C(C)(N)CO;PLTCWFFHNNCBLF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65677;MM65677;CNC(=O)NC(C)=CCO;IXNSQFQPQMIBDS-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65678;MM65678;NCC1CN1;AEXCVBXGIHNPIK-UHFFFAOYSA-N;72.11;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65679;MM65679;COC(=O)NC(C)=CCO;QPJORSDKTSFTNE-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65680;MM65680;CCC(N)(CN)CO;BOTDFFFXXQJRFR-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65681;MM65681;CON=C(C)NC(=O)NO;CZGAJUVTGUFRHW-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65682;MM65682;CC#CC(C)(CN)CO;RYMGSDZOCRIMAC-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65683;MM65683;CNN=C(C)NC(=O)OC;YFCYGHYPJHPOGO-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65684;MM65684;CC(C)(N)CF;CHODSSFYKUSDHG-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65685;MM65685;CC1NC1CN;HVDJGDWJYPJJNX-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65686;MM65686;COC(=O)OC(C)=CCO;QCSKQOXLGNYZJU-UHFFFAOYSA-N;146.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65687;MM65687;C=C(C)N=CNN;IHUIPTJGNNAKMX-UHFFFAOYSA-N;99.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65688;MM65688;CC(=CC#N)CC(=O)CO;WNYGVQHRZAIUHS-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65689;MM65689;CCC(=O)CC(N)=CC=O;NPEOWONEJUJDHY-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65690;MM65690;CN=C(C#N)C(F)=CNO;RUQFJAOLXKEQQH-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65691;MM65691;C#CC(C=NN)CCO;LINFJENNEUSAFZ-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65692;MM65692;NC(=CC=O)CC(=O)CF;GJRAJKOEFKACFP-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65693;MM65693;NCC1(CN)CN1;KQMKGQXTWHYAKF-UHFFFAOYSA-N;101.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65694;MM65694;CNC(=O)CC(F)=CC#N;IRUOLDBQGFVGSW-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65695;MM65695;C=NN=C(C)CC(=O)CO;BBZSJKXHYPHABX-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65696;MM65696;C=CC(C)OC(=N)N;CXWFLUIRNLRZQD-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65697;MM65697;C#CC(CN)(CO)C(C)C;AIFFXPLUBFQNAY-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65698;MM65698;C=NN=C(C)CC(=O)NO;NSKAQHBNWBNQMZ-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65699;MM65699;CC#CC(CC)NC;FRESFYZKOVNKGN-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65700;MM65700;C=CC=C(C)NC(=O)CO;RFOOMNPXRKAKPR-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65701;MM65701;CCNC(C#N)C#CC=O;FUOKOHSVKNGWDT-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65702;MM65702;CC#CC(=CC(C)N)CO;NUHQLOUFGNVZED-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65703;MM65703;CCC(=O)NC(N)=CC=O;MQVUAMPLPCKCSW-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65704;MM65704;CC(CC=O)N=C(N)C#N;FMTCHSQBFPRBGN-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65705;MM65705;C=NNC(C)(C)CNC;MHJKVQZUJKAYBF-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65706;MM65706;CNC(=O)NC(C)=CC=O;BOBYWYRBBHQDDU-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65707;MM65707;CNC(=O)NC(C)=CC#N;WBGGSNGWDGSZGJ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65708;MM65708;CC(=CC#N)NC(=O)NO;MPPLSTSDNLHLBQ-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65709;MM65709;C=C(C)C(C)OC(=N)N;VEXPLHBWWMDQGV-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65710;MM65710;C=NOCC(C=O)OCC;MSOZPASYUDGEQT-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65711;MM65711;C=NN(C)C(=N)C=NNC;UGOJMSKFQGCSAP-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65712;MM65712;CC=CC(C)OC(=N)N;QPBNZLIMCVILHH-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65713;MM65713;C=NNC(N)=C(C)C(C)=O;SJAZEWGNCYWIBX-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65714;MM65714;C=NNC(=CC(C)=O)NC;DLYKCAFJTSNOIJ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65715;MM65715;CCON=C(C=NN)OC;BZEAZVXNRVAFQN-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65716;MM65716;C#CC(=CC(C)N)CO;HRKSRHIBTRKKPT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65717;MM65717;C=C(COC)CC(=N)NO;PJIZYVZDWNCWQN-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65718;MM65718;CCC1(CN)CC1O;NALPWWZZXGTWKT-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65719;MM65719;C=NN=C(C)NC(=O)NC;GHYIQOZRGDIJIB-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65720;MM65720;C=CC(C)(NC)C(=C)C;ISPLFNBKTZHXFG-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65721;MM65721;COC(=O)NC(C)=NC=N;SPSRKTZGKAVAOM-UHFFFAOYSA-N;143.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65722;MM65722;CC(=CC#N)OC(=O)CO;MILZUACDGQXEGD-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65723;MM65723;CC(=NC(C)CF)NN;ZYANYRSYTHVOEG-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65724;MM65724;CC1CC1(CN)CO;GBVHOLAXFYSTIL-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65725;MM65725;CC=C(F)COC(=N)N;HABPICNGXSLMQO-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65726;MM65726;N=C(N)OCC(F)=CF;AOPVXWWIDPBHKL-UHFFFAOYSA-N;136.1;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65727;MM65727;C#CC=C(C)CC(=O)CO;ZBZRKUQKEWIVTF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65728;MM65728;C#CC=C(C)CC(=O)NO;IKHAFNMEJIVQKJ-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65729;MM65729;C=CC(=N)N=CN(C)C;ATQLJCKRKOIAJT-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65730;MM65730;C=C(C=NNC(=N)N)CO;BSJYPHXPQFWWGK-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65731;MM65731;C#CC=C(C)NC(=O)CO;JHRZKNWXINWLCR-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65732;MM65732;CNCC(C#CCF)CO;VSROBBJUAAWCFY-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65733;MM65733;C#CC=C(C)NC(=O)NO;RLHXGWQPZXGOHY-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65734;MM65734;CC(=CCO)CC(=O)C=O;BIRXIIYJJBQRFT-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65735;MM65735;C=CC(=O)CC(F)=CCO;UQIBEPLHBCJPIK-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65736;MM65736;C=CC(=CC(C)NC)CO;NAQGROLTNKICHY-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65737;MM65737;C#CCCC(N)C(=C)CO;DWZHKJFEJKVSDB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65738;MM65738;CC(=CCO)NC(=O)C#N;PMASMRKSIIGALH-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65739;MM65739;COC=C(C)NC(=O)C#N;ZQUXKJXBRPDNKJ-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65740;MM65740;CN=C(C)N(N)CC(C)O;HIWAJLCJOVQQDY-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65741;MM65741;C#CCC(CO)C(N)C=C;GMQNRGYRCXEITO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65742;MM65742;CNN=C(C)NC(=O)C#N;VROPACYSXMRPHK-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65743;MM65743;C=CC(CC)OC(=N)N;LPQCPHXYFVPKBV-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65744;MM65744;CON=C(C)NC(=O)C#N;JZFRZQMVLHZVJI-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65745;MM65745;CC(=CCO)OC(=O)C#N;RJEYSTJZGQACSN-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65746;MM65746;C=C(C=O)CC(N)=CC=O;LRYYAALJPMZDKS-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65747;MM65747;C=C(C#N)CC(N)=CC=O;NAXOQMCAAFVJAL-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65748;MM65748;C=CC(=O)CC(N)=CC=O;RZWUFCOUWVYIGT-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65749;MM65749;CC(O)CC(C)(CN)CF;FPUTXPBIFKTOIU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65750;MM65750;N#CC=C(N)CC(=O)C#N;PFGXABHLPOKOPN-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65751;MM65751;C=C(C)CN=CNC=N;DXJODJBITTUQDT-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65752;MM65752;CC#CC(N)C(N)CC;KCJHVWVOMKICMM-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65753;MM65753;CC(=CC=O)NC(=O)C#N;FEHWDNMQUKKFLR-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65754;MM65754;CC(=CC#N)NC(=O)C#N;OCTNILBNRFGCOS-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65755;MM65755;CNCCC(=O)C(C)=O;YPTIXVSGDGHLER-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65756;MM65756;CCOC(CCO)CNC;UPBXLGGIVONNGE-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65757;MM65757;NC(=CC=O)NC(=O)C=O;OGOLTAJQNMTCEM-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65758;MM65758;C=CN(N)C(=N)NN=C;AZAUAMJSKRBLTB-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65759;MM65759;CNCC(=CCF)CCO;KKHJYUUJUNWRLN-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65760;MM65760;CC(C=O)=NNC(=N)N;QXPSVHGNHDTUBU-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65761;MM65761;C=C(C=O)N=C(C)NC=O;OGKIIVAEIFKSMZ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65762;MM65762;C=C(C#N)N=C(C)NC=O;JSGYLZHKVXWJJH-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65763;MM65763;NCC(C=CCO)=CF;LPGADTNVDVPVMS-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65764;MM65764;CC(=NC=N)NC(=O)C#N;YMILCENCUTUSSO-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65765;MM65765;C=NN=C(C)NC(=O)C#N;BCOWSTBQJICBTO-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65766;MM65766;C=C(C=O)OC(N)=CC=O;ZLXMTDVABDYYMO-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65767;MM65767;C=C(C#N)OC(N)=CC=O;KXHQAPSOGFTYFX-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65768;MM65768;C=C(OC)C(CN)OC;IPBBPZQATGBONP-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65769;MM65769;C=CC(=CF)CNCC;QPZBBTSECYQLMB-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65770;MM65770;N=CNC=NCC=CF;LNATWQHNZNTNTD-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65771;MM65771;NC(=CC=O)OC(=O)C=O;GLPWCOWAIHGXIW-UHFFFAOYSA-N;143.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65772;MM65772;N#CC(=O)OC(N)=CC=O;WVIOKZHTAOYACR-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65773;MM65773;C=NNC(=CC=O)N(C)C;KFATVTRBJRLCTE-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65774;MM65774;N#CC=C(N)OC(=O)C#N;PRRKJHYGDREABR-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65775;MM65775;CC#CC(F)C(C)(N)CN;VZFLSBAJUSOOPF-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65776;MM65776;C#CC(=O)CC(C)=CCO;YPHREAJVRUXQGN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65777;MM65777;C#CC(C)(C(C)N)N(C)C;QZQAPSMFUKAACG-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65778;MM65778;CNN=CN(C=N)C(=N)N;KSTJEIDCEKFRJZ-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65779;MM65779;C#CC(=O)NC(C)=NOC;KLMPZPPNWGLUAL-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65780;MM65780;C=NNC(C)CCN(C)C;JHVPLDSHEOWELJ-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65781;MM65781;CC(F)=C(F)COC(=N)N;VGBYFFMMFUPHHK-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65782;MM65782;CNN=CN=CNC(N)=O;LYXFYKWUTUIVAL-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65783;MM65783;C#CC(=O)NC(N)=CC=O;ANDBTAWWWPMOOQ-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65784;MM65784;C=CC(CC#N)NC=NO;ZOGQJHJYGODGJN-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65785;MM65785;C=NNC=NNC(=N)NC;VMANLYFDYBDDHG-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65786;MM65786;C#CC(=C)OC(N)=CC=O;XMVJVWRSRWPAAL-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65787;MM65787;C=CC(N)C(N)C=C(C)C;SXVYDAZBCFJIHN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65788;MM65788;C#CC(=O)OC(N)=CC=O;SSJLOUCGEWEPCE-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65789;MM65789;C=C(F)C(C=O)CNCC;ZQPSJNVKJGDCTM-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65790;MM65790;C=NN(C=CC)C(=N)NN;QXRGABMTYHLBDM-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65791;MM65791;NCC(C=CCCO)=CF;IDLQSLOPEPJLCY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65792;MM65792;C=NNC=NN=CCCN;GURIFTPPMFCOTH-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65793;MM65793;CON=C(C)OC(C)=NO;KYWGLWGMHJBNIG-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65794;MM65794;CC(CC(N)=CC#N)=NO;VPHZKJPYNHTATJ-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65795;MM65795;CC(F)=CC(=O)CN=CN;LPWJNEHEGVCZSN-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65796;MM65796;C#CC=NNC(=NC)NC;DPFZBDPKEOUGOI-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65797;MM65797;CN(N=CNN)C(=N)N;OLKSIOSMOQEYTF-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65798;MM65798;C#CC(C)=NNC(=N)N;WOVITMZJKVDLOR-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65799;MM65799;C#CC(=NNC)NNC=N;YUMFGIRAPPFBKP-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65800;MM65800;CC(=NO)N=C(C)NC=O;CMMPHXWITMDGNP-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65801;MM65801;CC(=NO)OC(N)=CC=O;SRVJNOFAGVQXPJ-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65802;MM65802;C=C(C)CN(C=N)N(C)C;YCHSOLQEEYLYPH-UHFFFAOYSA-N;141.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65803;MM65803;CC(F)=CC(CN)N(C)C;NYHPOPJDXJATQS-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65804;MM65804;C=CC(=NC(C)=N)N(C)C;IGBWHVVMFCUIMN-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65805;MM65805;CC(CC#N)N=CNC=N;AOZRXDGFJGJAHB-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65806;MM65806;C#CCN(C)N(C)C=NC;VGGYMEZKHHPGGD-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65807;MM65807;C#CC=C(C)C(=N)NC=N;OAELCYYWSWMSIK-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65808;MM65808;C#CC(F)C(N)(CC)CN;OUQZFWQJAMOGFW-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65809;MM65809;C=NNCC(=O)NN=C;LJOAUMUBFFVTOM-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65810;MM65810;C=CC(CC(C)=NN)NC;OYBBPYVTQHDGPY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65811;MM65811;C=CC(CN)NCC(=C)F;QPVBYQIZQYQOOA-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65812;MM65812;C=CC(=C)C(N)C(N)C=C;NEUNYRLPNHUYRL-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65813;MM65813;C=C(OC)C(=N)NC=NC;GXXMLNAVBGAYQK-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65814;MM65814;CC(=CF)CN=CNC=N;SESLBKUNKVZPQF-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65815;MM65815;C#CC(=NN)NNC=N;XBRDBADEDDKQDS-UHFFFAOYSA-N;125.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65816;MM65816;C=C(OC)C(CN)OCC;YSBCKURMUVQFFR-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65817;MM65817;CCN(C)C(C=CF)CN;BCNWRSILFPPQTK-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65818;MM65818;C=C(CN)C(C=CF)NC;DANMKTNWKZFDPQ-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65819;MM65819;CC(=CF)C(CN)N(C)C;BJUGARNSRZQISX-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65820;MM65820;C=CC#CC(NC)C(C)N;QTDAYPXMYXSNGI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65821;MM65821;C=NNCC=NNC=O;VJIOFDPEUGTUOD-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65822;MM65822;CCC(F)=CC(O)CC=O;NWIMOBFCHAXRAX-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65823;MM65823;CNN=C(C)NCCCF;KAMZWNXZWUQZAI-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65824;MM65824;COC(C)=CC(O)CC=O;KLJSLSWAAIEZKX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65825;MM65825;C#CC(NC)C(C=C)C=C;OMZSVDQBESKONZ-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65826;MM65826;C#CCNCC(=CC)CN;DOJRDUIROJNVHI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65827;MM65827;C=C(OCC)C(CN)OC;NLSPSRTTYCOZJI-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65828;MM65828;C#CCC(O)C=C(C)CO;RFYNJWDGZGVGIO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65829;MM65829;C#CCC(O)C=C(F)CO;FNDRZNCFEIUOMY-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65830;MM65830;C=COC(=C)C(CN)NC;YSQMCJKXEKBDDQ-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65831;MM65831;NCC(N)CF;FGSNUVHKZPADQO-UHFFFAOYSA-N;92.12;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65832;MM65832;NCCN1CC1;LSDGFGPIFBOTJI-UHFFFAOYSA-N;86.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65833;MM65833;CNCC(C)=CF;KTZATFVFEQXCPM-UHFFFAOYSA-N;103.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65834;MM65834;CC=CC(=NNC)NC;HCZSJUGTHLOGHU-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65835;MM65835;C=CC(=NNC)C(=N)N;JJWWMMFZIXRRLH-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65836;MM65836;CCC(F)C(N)CN;ATNTZWICZKTXQY-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65837;MM65837;C=CC(C)=CC(O)CC=O;BZFGMEYGDAATOD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65838;MM65838;CC(C#N)=CC(O)CC=O;XBAQXQMDZCDMFW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65839;MM65839;CNC(C)C=C(C)C(C)=O;MUSWSPDUGHCTJB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65840;MM65840;CC(C#N)=CN(C)NC=O;YJYFUPYOYCQYRR-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65841;MM65841;CCC(C)(F)C(N)CN;XUNARRVLTMYWBX-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65842;MM65842;C=NOCC(O)(C=O)CC;JXGXABYWGUPUGC-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65843;MM65843;CCC(F)CN(N)C=N;WXQQSQCSTWFJJM-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65844;MM65844;C=NOCC(C)(O)C(C)=O;TYBFWVPORGRAAE-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65845;MM65845;CON=CCOC(=N)N;OYDMSYFMZHYUJT-UHFFFAOYSA-N;131.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65846;MM65846;C=NNCC(O)C(N)=O;AKZJDEZVROLHCM-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65847;MM65847;CCCC(F)C(N)CN;MVUJNYACMIAIGS-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65848;MM65848;C=C(NC=O)C(C)=NNC;SUABNCOSZDRRBU-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65849;MM65849;C=CC(N)C(N)C=CC;ZVTSTBHAQGRHRR-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65850;MM65850;COC(C)=CC(=O)CCO;HXXHVNSCPLQATC-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65851;MM65851;CNCC(C)=C(F)CF;VVVQBNGEBGIKSK-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65852;MM65852;C=CCC(=NC)NC=N;CVHAAVPHVMEYAZ-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65853;MM65853;C=CCC(CC(N)=O)=NN;AUMSCHUPRJFUCJ-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65854;MM65854;C=NOC(C)(CO)CO;BBKVGRNFVJQSRQ-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65855;MM65855;C=CC(CC=NN)NC;SHKPHBJHRNRFRW-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65856;MM65856;CCN=CNC=COC;XYIZHWQPTNOGJX-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65857;MM65857;CCOC(=O)C=C(N)NC;LDMWHGIQRYYSDC-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65858;MM65858;CCOC(=O)C=C(N)OC;QCXALERURNPEBK-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65859;MM65859;CC(=CC(=O)CC#N)CO;ZITJRKYXWPDEPG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65860;MM65860;C=CCC(=O)C=C(C)CF;SZXPTZUCKRYRST-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65861;MM65861;NC(=CC(=O)CC=O)CF;GXUSCKAQBLZKCA-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65862;MM65862;N#CCC(=O)C=C(F)CO;CUSFBYVJZCKSPY-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65863;MM65863;CNC(C)=CC(=O)CC=O;JRTUBLWHKSGHOH-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65864;MM65864;CCOCCC(O)C=NN;USJSGSSOWFDABV-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65865;MM65865;C=CCC(=O)C=C(N)OC;QHNJQNKXMLYKGI-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65866;MM65866;COC(N)=CC(=O)CC#N;KCMJRUIUXAHWPS-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65867;MM65867;CN(C)CC#CC(C)(C)N;AZYPXWMEDUKRNM-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65868;MM65868;OCC(F)CON=CNO;UGMHGMCUBXLOKE-UHFFFAOYSA-N;152.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65869;MM65869;CC=NNC(C)C#CCO;SGHKZOONYJBGIK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65870;MM65870;CC(C)(CCF)OC(=N)N;LUKLXGCAISTDQS-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65871;MM65871;C=CNC(=O)C=C(C)CO;HLHDLWOHLHYKGN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65872;MM65872;CN(C)N=CC(C)(C)O;YJVZDIGPVHIXPD-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65873;MM65873;CC(C)(O)CON=CNO;VXJVOPDVLAUNPX-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65874;MM65874;C=CC(=C)C(CO)=NNC;GUOSVZXBMUMDDM-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65875;MM65875;CCOC(=NN)N(C)O;FXXXZHORNSUMBI-UHFFFAOYSA-N;133.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65876;MM65876;C=NNC(=O)C=C(N)CO;UXSUYFYUFRAEAS-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65877;MM65877;CCCOC(=NN)N(C)O;PIZZIHJVDSORTE-UHFFFAOYSA-N;147.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65878;MM65878;NN=CN(O)C=CF;HQFOAEDLUJEGFM-UHFFFAOYSA-N;119.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65879;MM65879;C=CNC(=O)C=C(C)NC;XAXUMUJOYJTGKO-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65880;MM65880;C=CNC(=O)C=C(N)NC;XRBUAQKZMFPUHX-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65881;MM65881;C#CCC(CO)ON=C;DKIOCQAMAJEIRO-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65882;MM65882;CC(C=O)NCC(=O)C#N;LIXPVIOUGAQEJI-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65883;MM65883;C=NNC(=O)C=C(N)OC;USNYYVJGKXWXBY-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65884;MM65884;CCCC(C)(F)C(N)CN;NFRWLLKNQWOMCD-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65885;MM65885;C=CCC(C)(F)C(N)CN;HVDVQWMAIPVYFB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65886;MM65886;C=COC(=O)C=C(N)NC;QDYCBGIHOXMQFR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65887;MM65887;CCC(N)CC(=O)N(C)C;AEISENYOSFHQGY-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65888;MM65888;N#CC=C(N)COC(=N)N;FNNKKCWSKBZTRW-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65889;MM65889;C#CCC(=O)C=C(F)CO;RWPDPPBQLXUITK-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65890;MM65890;C=CNC=NN=CCCN;DMAHQVISYUWLRD-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65891;MM65891;C#CCC(=O)C=C(N)OC;DWCXIFKPBRQBTR-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65892;MM65892;C=CC(C)=CC(=O)CCO;GSXGBVUJEOLVKU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65893;MM65893;C=CC(N)=CC(=O)CCF;DCSSUFXTRGOPGZ-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65894;MM65894;NC(C=O)=CC(=O)CCF;UHYKJYDHKVQHOI-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65895;MM65895;N#CC(F)=CC(=O)CCO;CNCZFKLHTKDEAQ-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65896;MM65896;C=C(F)CN(CC)CCN;AEVQQJYWBNOANC-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65897;MM65897;C=C(C)CC(C#N)NC=N;ZUICHTHLMNIDEY-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65898;MM65898;CCC=NNC(C=O)CO;IPTUZJRWNIEPDE-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65899;MM65899;COCC(=O)C=C(N)C=O;JZEKNJQESGZMEE-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65900;MM65900;COCC(=O)C=C(N)C#N;CRZJMFKUXBQFRI-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65901;MM65901;CCNC(=O)C=C(N)C#N;XDZDSLLTERXJEJ-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65902;MM65902;N=CNN=CCC(N)CN;UYTMHAGXVSOGHA-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65903;MM65903;CONC(=O)C=C(N)C#N;OMNYZXVKCADOQF-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15757;MM15757;CC(C#N)=CC(=O)CC#N;CCOQBXQOANOOFJ-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65904;MM65904;C=CC(N)=CC(=O)CC#N;FTKVHKLOMQGYQS-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65905;MM65905;C=CCC(=O)C=C(N)C=O;QVQDOIRSLGPGPQ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65906;MM65906;NC(C=O)=CC(=O)CC=O;UCVFZBFQNIIFBE-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65907;MM65907;N#CCC(=O)C=C(N)C#N;OUMLBTHYSYOAEG-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65908;MM65908;CC=CN(C=O)CC(C)N;RGLYMYKRMGREKI-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65909;MM65909;C#CC=C(CN)CN(C)C;ZWEPNIBSWRUOFO-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65910;MM65910;C=CC(=N)NN=CCCN;CBCTULGETUMSPS-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65911;MM65911;N#CC(N)=CC(=N)NC=O;PNUVWMHHLGNTBT-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65912;MM65912;C=C(CNC)C(N)=CC#N;YJJMLWMUOHJISW-UHFFFAOYSA-N;137.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65913;MM65913;C#CC(=N)N(C)C(N)=O;PLOFUADHGWAZBT-UHFFFAOYSA-N;125.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65914;MM65914;N=C(C=C(F)C=O)NC=O;OQOWBDIFLKALDY-UHFFFAOYSA-N;144.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65915;MM65915;C=CC(C)=CC(=O)NC=O;FZZVXHNLJMXCKU-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65916;MM65916;C=CNC(=O)C=C(N)C=C;MGKWNUUNTCAULX-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65917;MM65917;C=NNCC(=CCF)CO;ATOQNCNNFVIHPJ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65918;MM65918;CNN=CC(CO)CC=O;IQICZOLOMLGWJK-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65919;MM65919;N#CC(F)=CC(=O)NC=O;XIUXZDPNIOFVHN-UHFFFAOYSA-N;142.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65920;MM65920;COCCON=CNO;KURIOPOLHDKVME-UHFFFAOYSA-N;134.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65921;MM65921;CC(CC=NN)OC(N)=O;VVMMXHHFPUDZRU-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65922;MM65922;COC=CC(CCO)=NN;XREVMQHDNNPKSD-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65923;MM65923;C#CCNN=CCCO;YBYZANSBWZEHDL-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65924;MM65924;C=NNC(=O)C=C(N)C=O;GYNQNHYCZWELLW-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65925;MM65925;C=COC(=O)C=C(N)C=O;ZLQXSBKMQHAUCG-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65926;MM65926;C=COC(=O)C=C(N)C#N;OKFVRHQKRALDIX-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65927;MM65927;CC(C=NN)OCCCO;WDLOTNOVMCLXIJ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65928;MM65928;C#CCC(=O)C=C(N)C#N;CAOMXGMYOJEBSC-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65929;MM65929;O=CC=NNC=NCC=O;CCDCIDLMSZLHHO-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65930;MM65930;C#CC(N)=CC(=O)COC;KGBSBENYLXGEGU-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65931;MM65931;C#CCN(CCN)CCF;IBQWEFZSDLKLQN-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65932;MM65932;CCNC(CNC)C(C)F;LJLDBLLLEXIUNK-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65933;MM65933;C#CC(F)=CC(=O)NOC;MTPJDVSPKAAMMZ-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65934;MM65934;C#CC(N)=CC(=O)CC#N;GHIOQTBMYQQBOB-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65935;MM65935;C=CC(CN)NC(C)CF;LFVHKIRETJYNSF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65936;MM65936;CC=C(C#CC(C)N)CN;GTJVOQLRPZNEOS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65937;MM65937;C#CC(N)=CC(=O)NC=C;XYLALGBKQJLHKA-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65938;MM65938;CC(NCC=O)C(=O)C#N;APACRAAZEZEALZ-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65939;MM65939;C#CC(N)=CC(=O)NN=C;HGUGEOBIUPJVFM-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65940;MM65940;C=CCCC(F)C(N)CN;NLKCNPJMMKOJTC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65941;MM65941;CC=NNC(C)C(=N)NN;SKVWUQXEUSLIGZ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65942;MM65942;C=C(OC)C(CN)NCC;MJMLUKODKUVPTL-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65943;MM65943;C#CCN(N=C)C(=N)NC;NNNNANINXHMGMO-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65944;MM65944;C=CC(C)=NOCC(C)=O;WVCVBSQLKGKOQL-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65945;MM65945;C=CC(=O)CON=C;SYPZXQLTKDQUCS-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65946;MM65946;CCNCC(=CF)CNC;XDUCSZVVTBKKIY-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65947;MM65947;C=CC(=O)ON(C)C=NN;BPCAZBOBDCKHNN-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65948;MM65948;CNC(=N)C(C)(C#N)CF;JCUBNANAZPBQOZ-UHFFFAOYSA-N;143.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65949;MM65949;CCOCC(CN)N(C)C;SSBCGHOLFOTLMN-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65950;MM65950;CNCC=COCC=NO;HZBOJCWCMBPMPA-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65951;MM65951;CCC=CN(OC)C(C)=N;NDINKGGTPZNVMU-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65952;MM65952;CNN=CC=COC=NN;WHOQGEQCWIZIRS-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65953;MM65953;CC(N)C(C#CCN)=CF;KMGVWFCYYVXNEI-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65954;MM65954;CC(C#N)=NN(C)C=NO;SVHVXPVQOTUIKG-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65955;MM65955;CC#CC(=NO)C(C)CN;JGQYYBCSGPTNCY-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65956;MM65956;C#CC(O)C(=O)CN=CN;ADCYQZNUMRCCKE-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65957;MM65957;N=CNNC(=NO)NC=N;HOYWLVUXOYFPNC-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65958;MM65958;C#CC(F)(C#N)C(=N)NC;WOUAZNOLLZXEGE-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65959;MM65959;C=CC(=N)NC(=NO)NC;BRKKELDXKHSBPC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65960;MM65960;C#CC(C)=CN(O)C=NO;AZEMGNDZGRWNRK-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65961;MM65961;N=C(N)C(=O)C(=O)C=O;CBBADKWRMPZDSA-UHFFFAOYSA-N;128.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65962;MM65962;C#CC(C)=NN(C)C=NO;LGNKOYOKRGSVCB-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65963;MM65963;COC(C)=CC(=O)C=CN;YHSIWNBNTIJNKN-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65964;MM65964;C=CC(CC=NNC)NC;LOZPBAVFLNDCCF-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65965;MM65965;CC#CC(O)C=C(F)CO;BZTSVBZUHNPBDO-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65966;MM65966;CNC(CN)CF;STIBQINBOICGGB-UHFFFAOYSA-N;106.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65967;MM65967;CC#CC(C)(O)C(N)CC;KPTMZXQAZKWCTI-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65968;MM65968;C#CC(C)(O)CNCC;JVANKTBXXQGLTL-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65969;MM65969;N#CC(=N)NC=NC=CF;DJQHYZVZMAVCLJ-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65970;MM65970;CON=CNN(C)C=O;NAULKDOQKALATF-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65971;MM65971;NC(=CC=O)C=C(F)C=O;XDIPUHMMTZDJNS-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65972;MM65972;C=C(C)COC(=N)N;XLOWNHORIIBYBV-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65973;MM65973;C#CC(=C)C(=NO)NC=C;LIYGNASHHCIJRO-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65974;MM65974;CC(CF)OC(=N)N;PFYSOVPVERESNJ-UHFFFAOYSA-N;120.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65975;MM65975;CCN=CNN(C)C;USONKKPXANCJGG-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65976;MM65976;CNCC(C)=C(C)F;IHSUELPEGYNGDJ-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65977;MM65977;C=CC1(NC)CC1N;VKMUGIZLEFDYLD-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65978;MM65978;C=C(C)CNCC(=C)C;LDCWGVLBCJEQMT-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65979;MM65979;COCC(C)OC(=N)N;DSRRXWBIQRUYAO-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65980;MM65980;C#CC(C)(CNC)OC;YKNABXSRAXXLIJ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65981;MM65981;C#CC(C)(OC)C(C)N;QAGATKDQEUGRTR-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65982;MM65982;CC=CCN=CNC(N)=O;WNQYKERIOUQUMI-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65983;MM65983;C=C(CC)COC(=N)N;LJONHAPMEDWKNW-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65984;MM65984;C=C(CF)COC(=N)N;RTUZXIRIQOYQDN-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65985;MM65985;N#CC=CCCNNC=O;ASYVMVQLSVOELM-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65986;MM65986;C=CC(=C)COC(=N)N;LDUJUUPRWLNNNQ-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65987;MM65987;C#CC(=C)COC(=N)N;TXOUPCKGYZGSJT-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65988;MM65988;CCNNC(=O)NC;HTCXTWBUNPHZNS-UHFFFAOYSA-N;117.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65989;MM65989;CCC1(CN)NC1(C)C;CMWYEDYPXPPGOY-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65990;MM65990;N=C(N)C#CC#CCN;MXDQYRISNGPNIQ-UHFFFAOYSA-N;121.14;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65991;MM65991;CN(CC=CF)CCN;HFYCBPYFUVJBEE-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65992;MM65992;CC=C(F)CNCCN;SVJOPLXYWHICIY-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65993;MM65993;CC(CF)N(C)CCN;AQXHBPUUJADBTJ-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65994;MM65994;CC(=CC(F)CO)CC=O;XZJGOXAZOACYDF-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65995;MM65995;C#CC(=NC(N)=O)N(C)C;MXIHTBYKLOPABB-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65996;MM65996;CN(C=O)C(=N)NC=N;GIVFTOCNIKGTFH-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65997;MM65997;CCC(F)=C(C)CNC;BKSOXKYRCXTSMP-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65998;MM65998;NCC(=CC#CCO)CF;ZXSYJAYDPQXZTF-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM65999;MM65999;CNCC(=CF)CCF;IGFBYUKBSYLOSA-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66000;MM66000;NCC(=CF)CC#CCO;MPVNFGKPYCSDGE-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66001;MM66001;COC(C)C=C(C)NC=O;IEAKBOXXIMRYEQ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66002;MM66002;C=C(C)C(NC)C(=C)C;BHPNHEHHMBMGKY-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66003;MM66003;C#CC=CC(O)(C=C)CN;MWFNHCACHYQOIL-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66004;MM66004;C#CCC(C)=CC(O)CO;XLXZGJVQWMEUPZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66005;MM66005;C=CC(O)(C=CCF)CN;LCSPVVBRTJJMHA-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66006;MM66006;C#CCC(F)=CC(O)CO;GLYSVBOQZKCAQD-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66007;MM66007;C#CC#CC(C#C)CN;LFGDXCLDPMPLIY-UHFFFAOYSA-N;117.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66008;MM66008;COCCN=CNC=N;JCRRQGWFDUERJP-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66009;MM66009;N#CC(O)C=C(F)CCO;PLXQGLXBTYBNJL-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66010;MM66010;CNN=CNC(C#N)C#N;NYERHGLDEMHJPW-UHFFFAOYSA-N;137.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66011;MM66011;CC(F)CC(C)(N)C(C)F;DLVHOZLSWWIKOV-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66012;MM66012;C=C(C)C(C)(O)C=NNC;DHVRLUDLAKLRPP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66013;MM66013;C#CC(C)(N)CC(F)CF;KZKRBQJSXBAQHU-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66014;MM66014;C=CC(O)C(F)CNN=C;WMZAZTWVFIJFBN-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66015;MM66015;COCC(C)=CC(O)C#N;PVMLAKQTTBOODU-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66016;MM66016;CCOC(C)=CC(O)C=O;RTTKHJVAKLHKEU-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66017;MM66017;N#CC(F)(F)C#CC(=N)N;RBYIINWOUIPFIY-UHFFFAOYSA-N;143.1;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66018;MM66018;C=CC(O)(C=C)CN;WXCCDKRSQMTJJL-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66019;MM66019;COCC(C)=CN(O)C=O;YTCQNUZZFBUUEQ-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66020;MM66020;C#CC(C)(CN)NC(C)C;SSDBOEHWDZYKBR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66021;MM66021;C=NNC(C)(C)C(=N)NN;SGJNCQORTKGNAU-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66022;MM66022;CCOC(C)=CN(O)C=O;UEWDAXYVYJVGSM-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66023;MM66023;CCC(F)(F)CNCCN;XTBGQDZZRUUPPG-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66024;MM66024;C=CCC(C)=CC(O)C=O;QDJCEDQMKVATGC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66025;MM66025;C=NNC(C)(CC)CNC;TYLNTEFELSXAPZ-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66026;MM66026;C=CCC(N)(CF)CC=C;NHZMTHJZWMZUTO-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66027;MM66027;CC(=CN(C)C=O)CC=O;YMVAOSPYSYHBLS-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66028;MM66028;C=CC(N)(CNC)C(F)F;DIBHCYFMXZMYHJ-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66029;MM66029;CN(C=O)C=C(F)CC#N;PWQQGQVYEAJDFJ-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66030;MM66030;C=CCC(=C)COC(=N)N;HEEDTNJXHYSLBG-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66031;MM66031;C=CC(=C)C(O)C=NNC;JTPDWEJGEGLWON-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66032;MM66032;C=CCC(N)C#CC(C)N;BCTIGKDJJMIYIX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66033;MM66033;C#CCC(C)=CC(O)C=O;MDHVRIHSAFEBQP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66034;MM66034;CC=NN(C)CC(=O)CO;VTSAFSZTKDOTHL-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66035;MM66035;C=C(C)CNCC(=C)CC;IRFCJFLXPWUXOO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66036;MM66036;CCC(F)CN(C)CCN;BXQLFZMCOFFFFP-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66037;MM66037;CC(CN)C(C)(O)CO;QETRSKFSUYWSPZ-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66038;MM66038;CNC(COC)CN(C)C;HNKLOFRPDDOZSD-UHFFFAOYSA-N;146.23;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66039;MM66039;C#CC(O)C=C(F)CC=O;SZARPRCDTYEXNX-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66040;MM66040;C#CC(O)C=C(C)OC=O;ZPSOQOSEYYHYHQ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66041;MM66041;CN(CC#CCF)CCN;AUNIDDJFUTYYSY-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66042;MM66042;CC(=CC(=O)CO)CCF;ZRTUIADMZJAESZ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66043;MM66043;CCC(O)C(C)=NN;LTZCLHMUBUUZRC-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66044;MM66044;C#CC#CCC(=N)NNC;OVIYOCISWISCDV-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66045;MM66045;CCOC=CN(O)C(=N)N;USPIJMRSZRJLOP-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66046;MM66046;C=CCC(N)C#CCNC;SHCGRRKDYXLBAB-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66047;MM66047;CCC(O)C(C)(N)CO;OGFZJRIBYKSVTN-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66048;MM66048;C=CC(C#CC)C(O)CN;QMCWXPVAALOAPU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66049;MM66049;CCC=NNCC#CCO;LRWGOJQQBXDCRF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66050;MM66050;CCCN(CCN)CCF;WQUYJYRWBOCDCS-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66051;MM66051;CC=NOC(C)CO;CPGBZYVAHHLCNC-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66052;MM66052;C=CCNC(C)(CN)CF;GEHXAQVEXXFTDP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66053;MM66053;CCNC(C)=CC(=O)CO;WUKYGGUZVCRFLN-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66054;MM66054;CCN(C)CC(CN)OC;KHTYORLBEGMLON-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66055;MM66055;CCOC(C)=CC(=O)CO;SOSPJGHJXVVZCH-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66056;MM66056;CCOC(C)=CC(=O)NO;ZBVGEWSDNKEPEP-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66057;MM66057;CC(=CC(=O)CO)CC#N;BWZBCOGVYQJMRZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66058;MM66058;CCC(=O)C=C(N)CC#N;SVVWCUYNGRYDEZ-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66059;MM66059;N#CCC(N)=CC(=O)CO;JRKVLNJCKGKXDB-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66060;MM66060;O=CCC(F)=CC(=O)CO;RZSRKZCQIVFBBC-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66061;MM66061;C=C(C)CCN(C=N)C=N;VPAUFEKWGRUOBC-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66062;MM66062;CC(CO)(CF)CC=NN;OLGBFCFKUPGSJJ-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66063;MM66063;C#CC(C=NNCC)CO;JPXDAQQXNRSHDX-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66064;MM66064;C=C(CO)CON=CC;STVMCOPGYICSGE-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66065;MM66065;N#CCC(N)=CC(=O)NO;BOQYSDBMQUGCRH-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66066;MM66066;C#CCC=NN(C)CCO;HCFBALMSUWQGIV-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66067;MM66067;CNC(=O)C=C(F)CC#N;SYICPSDLKNUYAB-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66068;MM66068;N#CCC(F)=CC(=O)NO;OLBPEIJDQAKSAZ-UHFFFAOYSA-N;144.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66069;MM66069;COC(=O)C=C(C)CC=O;BZVAWCAFRQKXQE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66070;MM66070;C=CC(=CF)COC(=N)N;UZVIWWZITSQZCJ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66071;MM66071;C#CC(C(=C)C)C(O)CN;ZUZJKDYJNFNTQG-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66072;MM66072;CON=CCCCO;OSZXQFZIJCNDBO-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66073;MM66073;C=CC(=O)C(C)NCC#N;OUMRRCVJTIDZSE-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66074;MM66074;C=NNC(N)=CC(=O)NO;QSDNVPRRYAUXQO-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66075;MM66075;CC=C(C#N)COC(=N)N;BYNRWZGYSSYXFU-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66076;MM66076;C#CC(=CF)COC(=N)N;AVUXXIMEGBTKGL-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66077;MM66077;C#CC(=O)N(C)N=CN;BOTXIJOAKIQBIX-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66078;MM66078;C#CC(=C)C(N)C(=C)CN;KLISDYAAYWPGDW-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66079;MM66079;C#CC(N)CCC#CCN;XVHLRHUJDCJEHZ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66080;MM66080;CC#CC(=O)N(C)N=CN;MXNNXVWRTDIITJ-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66081;MM66081;C=COC(N)=CC(=O)NO;WZXJKPOSLQGRRN-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66082;MM66082;C=CC(F)C(CNC)NC;OVWDYLKDRGPPML-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66083;MM66083;C#CC(=CNC)C(=N)NN;RYWODMBBFMHYNR-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66084;MM66084;C=COC(=O)CNN=C;XMDAQIDCDPVYMF-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66085;MM66085;C=CNC(C=COC)=NO;LSZLAYINZOGBTB-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66086;MM66086;C#CC=CNC=NO;MIBCYFNYKARIPJ-UHFFFAOYSA-N;110.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66087;MM66087;C#CC=CN(C)C=NO;LVOAANHOEWYSGH-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66088;MM66088;C=CC(=O)C=C(F)CCO;XDLMNRVXTMYDNM-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66089;MM66089;N#CC(=O)C=C(F)CCO;RJLIIZYUUNEOOC-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66090;MM66090;N#CC(CC=CF)NC=N;UDKQQDSDEMOUEE-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66091;MM66091;C#CCNC(C=CC)CN;AYNOWCSQCRZABA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66092;MM66092;N=CN(C=CF)CCCF;MKCYEEQSAUAJKD-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66093;MM66093;C=CCC(C#CCN)NC;WBGJYCGTBQANKD-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66094;MM66094;COCC(N)=CC(=O)C#N;OFOSYDIUAMFFKU-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66095;MM66095;C=CN(OCC#N)C(C)=N;QMOWDZUSXBYHKH-UHFFFAOYSA-N;139.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66096;MM66096;C#CC(CNCCC)NC;ROXGMHZUTFWVLY-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66097;MM66097;CCNC(N)=CC(=O)C#N;MZSVXJBVSXUYPG-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66098;MM66098;CCOC(N)=CC(=O)C=O;PQRMCLWROKEVFG-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66099;MM66099;CCOC(N)=CC(=O)C#N;YADJRUGPVDGQNS-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66100;MM66100;C=CC(=O)C=C(N)CC#N;AZCOLNNVVKCTIC-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66101;MM66101;N#CCC(N)=CC(=O)C#N;OBKPAZDFXAMCEO-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66102;MM66102;C=CC(=O)C=C(C)NC=O;KYPVULALIDERTB-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66103;MM66103;CCOCCN=CNC=N;WJHYMMNDWWJXKI-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66104;MM66104;CC(=CC(=O)C=O)NC=O;MPQBIUWUCQRAFZ-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66105;MM66105;N#CC(=O)C=C(N)NC=O;HOPJTCOIHPFQDB-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66106;MM66106;CC(=CC(=O)C#N)OC=O;UEIXAWRKPVAISG-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66107;MM66107;C=COC(N)=CC(=O)C#N;XCLSEOLFZNJULZ-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66108;MM66108;N#CC(=O)C=C(N)OC=O;NSJYHLLNJNXAAW-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66109;MM66109;C#CC#CCC(=O)NNC;NBRXDHMYGAXSOG-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66110;MM66110;C=CN=C(C)NC(=O)C#N;DTGFUEDYVZNVLL-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66111;MM66111;CC(=O)NN=CCC=NN;HDNRDACBYOQNOP-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66112;MM66112;C#CC(=O)C=C(N)COC;GLFAADHJQMBXFE-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66113;MM66113;C#CC(=O)C=C(N)CC#N;AQLVIAIBISLHLZ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66114;MM66114;N#CC(C#N)N(O)C=N;CZKSSLCDZIAJIE-UHFFFAOYSA-N;124.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66115;MM66115;C#CC(=O)C=C(N)NC=O;YFBICXSUBYXEOU-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66116;MM66116;C=C(C)C(O)CN;NTKSLCGTSLOBPT-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66117;MM66117;C#CC(=O)C=C(N)OC=C;DCWKSOXYWDWBHP-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66118;MM66118;CCC(F)=CC(O)CN;ABTALXSPFPOBAC-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66119;MM66119;CC=NN=CCNCCN;PHDXZECYPATPQZ-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66120;MM66120;CC#CC(C)(C)N;ICNYECGKVDISOU-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66121;MM66121;C#CCC(F)=CC(O)CN;COLFUGZLLXYGKQ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66122;MM66122;C=CCOC(=N)N;FWIFLKHKJWZSTI-UHFFFAOYSA-N;100.12;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66123;MM66123;C=NN(C)C=C(F)C=NO;WIPRTHMSKRXGKC-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66124;MM66124;C=C(C#N)NC(=NO)NC;HBYCBJCYSIQNHJ-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66125;MM66125;CC=CC(N)=CC(=O)CO;OPICWCBUXFAIEY-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66126;MM66126;C=C(C#CC)C(=O)NNC;ZQVFDZXNWGVHON-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66127;MM66127;CCNNC(N)=O;SEJCNHQNVZAVTP-UHFFFAOYSA-N;103.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66128;MM66128;C#CC(C)(F)C(=N)NO;KYNHIWVBIIVDKA-UHFFFAOYSA-N;130.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66129;MM66129;CC=CC(N)=CC(=O)NO;ICVDPWGOTNPKSK-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66130;MM66130;NC(C=CF)=CC(=O)NO;KEMPYRSMAHLVKW-UHFFFAOYSA-N;146.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66131;MM66131;CN(C=O)C(=N)N;FSZMYUTYEDYSLA-UHFFFAOYSA-N;101.11;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66132;MM66132;NCC(O)C=CF;YHHAOQRYSTZIEB-UHFFFAOYSA-N;105.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66133;MM66133;CON=C(C=O)C(=N)NO;XEMNYDCZJIAKDH-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66134;MM66134;COC=CCON=CNO;PEFFRWSKKZSQKR-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66135;MM66135;CCC(N)(CO)CO;IOAOAKDONABGPZ-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66136;MM66136;CON=CCON=CNO;WZPBRLRHSYXSMS-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66137;MM66137;CC(C=O)NN=CCCO;OWPFHQPFKGQRRO-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66138;MM66138;CC#CC(N)=CC(=O)C#N;UCZKUIYANVLGIH-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66139;MM66139;NCC1(N)CC1N;KUQVBHPFYAWYGV-UHFFFAOYSA-N;101.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66140;MM66140;CCCCC(N)(CO)CO;SXWKLGWTWGJNHX-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66141;MM66141;C#CC(C)(N)CCF;YPHDPFKRBJOJFG-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66142;MM66142;C=NN(C=NCC=O)CC;ATIOSNHIPYJRCA-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66143;MM66143;C#CC(C#C)=CC(O)CN;MVBVSFXEXUDICN-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66144;MM66144;CC(C)OC=CC(O)CN;NLVUXMIEXHHHDX-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66145;MM66145;CCCOC=CC(O)CN;JXQNJJQWHYUQGB-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66146;MM66146;C=CC(C)=CC(O)CN;ACNWQPUURJRBDL-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66147;MM66147;C=NN(C)C=NC(C)C=O;DMXQOFGIPRRWGG-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66148;MM66148;CCNN=C(C#N)NNC;FCZAJTHLTFMOKZ-UHFFFAOYSA-N;141.18;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66149;MM66149;N=C(CF)NC=NOC=O;SIYFNMQWPUUKIL-UHFFFAOYSA-N;147.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66150;MM66150;C=NOC(C)COCC=O;KNFACZDMDQLBLC-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66151;MM66151;C=CC(C)=NNC=NNC;GADGBLRVQHEANS-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66152;MM66152;CNN=CNC(C#N)=CF;CQEZJNUFSCYLCI-UHFFFAOYSA-N;142.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66153;MM66153;C#CC(=NN)C(C)=NOC;ADGQAHKDCHGSHO-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66154;MM66154;C=C(C)C(C)=CC(O)CN;MOUHAXFBNBUWIR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66155;MM66155;CC=CCOC(=N)N;RTAMHJNWTPJMHL-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66156;MM66156;N=C(N)OCC=CF;OXRDVISOBDBCSX-UHFFFAOYSA-N;118.11;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66157;MM66157;C#CCC(N)C(O)CC=C;JJDFPVNXRBCMCB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66158;MM66158;CC(C)N=CNC=N;KZXJKBHLHZXNCE-UHFFFAOYSA-N;113.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66159;MM66159;CC=NNC=C(C)C=NO;PYSAVKXPKLPMKP-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66160;MM66160;C=NNCC=NNC=NO;QYFMZIZKRSDUDJ-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66161;MM66161;C#CCC(N)COC;OTXCLTFNOJGVBN-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66162;MM66162;C=COC(CN)CF;DHOHNWDSKJXEGL-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66163;MM66163;CCC(=CF)CNC;OFEUIHUXVMUYRP-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66164;MM66164;C=C(C=CC(O)CN)CF;MIUDECSKJVRDQT-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66165;MM66165;CC(O)CC(O)C(C)CF;WDJAMVXWXOEYKM-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66166;MM66166;CCC1(CN)NC1C;NGXXTWBUUFABME-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66167;MM66167;CCNCCOC=O;FVSKIYHIFBZRHE-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66168;MM66168;CC#CC(C)(N)C(C)N;OBHAYSHUZJYLLM-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66169;MM66169;CC(C)=CCOC(=N)N;CXFJFUMKCVNARK-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66170;MM66170;CC(C=CC(O)CN)=CF;DTNUKHRVIPLYEZ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66171;MM66171;CC(CCF)OC(=N)N;AKFNFGOEOHDCNX-UHFFFAOYSA-N;134.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66172;MM66172;CC(CC#N)OC(=N)N;RRJLKQJUDMSHEO-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66173;MM66173;C#CCC(C)OC(=N)N;RKWBJXOVQWDIRO-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66174;MM66174;N#CC(F)COC(=N)N;OMXOASDRRUYONO-UHFFFAOYSA-N;131.11;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66175;MM66175;C=CC(CN(C)C)NC;VVJYUNUNMVLDKJ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66176;MM66176;C=CC(CC(=C)F)NC;RYDGFXPKUANWNP-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66177;MM66177;NCC(O)C=CCF;RQJAUKQBZORRCM-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66178;MM66178;C=C(CF)NC=NO;ZJNLWPHUXHBMBI-UHFFFAOYSA-N;118.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66179;MM66179;CCNCCOC(C)=O;KGAJEEQMXGQUBR-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66180;MM66180;C=CC=CC(O)CN;NGYQALYKFYRIAC-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66181;MM66181;CCCC(=NC=N)NC=O;XIOVOYYECPRETC-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66182;MM66182;N=C(N)OCC=CCF;APHWTNSYQMSKPN-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66183;MM66183;C=CN(C=C)C(=O)NNC;YXZHFPQCJSQBKQ-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66184;MM66184;C=CC=CCOC(=N)N;MTNMZANNPHIBJL-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66185;MM66185;C=CC(C)C(O)CC(C)O;PRZHHZNJJDZRKN-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66186;MM66186;COCC(F)=CNC=N;PQSLFSHMYIXOFL-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66187;MM66187;CNN(C)C(=O)NN;XDVUDIJDQYLFRG-UHFFFAOYSA-N;118.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66188;MM66188;C=CC(N)C(N)C(=C)C;QLVQDNMSYVXDDS-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66189;MM66189;C=C(F)C(C)NCCN;AKPCJISPBNYHBF-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66190;MM66190;COCOC(=N)N(C)C;ZXDHUNYGUSLGJL-UHFFFAOYSA-N;132.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66191;MM66191;CC=CC(CN)N(C)C;YAVACGJJCIFRCR-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66192;MM66192;C#CC(C)C(O)CC(C)O;MZHNYEGLDLWZTO-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66193;MM66193;C#CC(OC)C(N)CC;VNPBOSAFTOHTBW-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66194;MM66194;C=CCCN(C=N)C=N;VZHPMQSLFFSSDW-UHFFFAOYSA-N;125.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66195;MM66195;CC(F)(C#N)COC(=N)N;UOLLPFCJSWQLNG-UHFFFAOYSA-N;145.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66196;MM66196;C=C(C)C=CC(O)CN;XYAAABKZSHOBAZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66197;MM66197;C#CC(C)(F)COC(=N)N;HMKCNEQFAKEELN-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66198;MM66198;C=C(F)C(C)(C)NCCN;KPLIUQMOYJDYRH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66199;MM66199;CC(CCC#N)OC(=N)N;KCPDJHBZJDCLIN-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66200;MM66200;CC=CC=CC(O)CN;GEUUDFOVDISEHL-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66201;MM66201;C#CC(NC)C(C)(C)NC;YUXIRLLNLYNGMN-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66202;MM66202;CCCC(N)(CF)CCF;ONBOETAMVAHARS-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66203;MM66203;CC(=O)OC=C(C)N=CN;ONBLZTJOUFJJSP-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66204;MM66204;CCC(C)C(O)CC(N)=O;VDHCOCCYGKNJNN-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66205;MM66205;C=C(C)CC(O)C(O)CF;PNKPCAOCITZHOQ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66206;MM66206;CC(=O)NC(C)C(C)CO;WJNHMDQEOKBOPT-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66207;MM66207;C=C(C)C(N)C(C)=C(C)C;NIHHXBNKGPUQCM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66208;MM66208;CC=NNCC(O)C(N)=O;HLSMMKCTFKQIGR-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66209;MM66209;CCCC(=N)NC(=N)CF;VEKMMKXHEOIYIO-UHFFFAOYSA-N;145.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66210;MM66210;CC(=CF)CN(C)CCN;VXZFWGGNMNJUCA-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66211;MM66211;C#CC(=O)N(C)CC(C)N;CLIVONKCORCZEB-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66212;MM66212;CC(N)CN(C=O)C(C)C;YXCDZPVAPPRABX-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66213;MM66213;C=CC(O)C(C)CC(=O)O;DZCYRCZVXOURJM-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66214;MM66214;CCN(CC(C)N)C(C)=O;KXNMPQWIUIWOPP-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66215;MM66215;CC(C)=CC(CN)N(C)C;PZDKKWMQILUQLW-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66216;MM66216;C=CC(C)C(O)CC(=O)O;LQFIFTKYWXGBHT-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66217;MM66217;C=CC(O)C(O)CC(=C)C;STJIACYTJRNFLN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66218;MM66218;C=C(C)CC(F)C(C)C=O;GUZKFEHQIBVTEA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66219;MM66219;C#CCC=CCOC(=N)N;VJSLNINRIPSCSM-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66220;MM66220;CC(=O)NC(C)C(C)C#N;UPPAGWRQKDRMPJ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66221;MM66221;C=CC(C)C(C)NC(N)=O;ZNZFBGTUFUUWLP-UHFFFAOYSA-N;142.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66222;MM66222;CCCOCC(O)C=NN;YBQYLZPHJHIELL-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66223;MM66223;CC(C#N)C(C)OC(N)=O;PUXJQBLPZIAUCQ-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66224;MM66224;CC(=O)OC(C)C(O)C#N;YNYSSWLHUFOQGW-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66225;MM66225;CCNN=CCC(=O)CO;XBLVFUCWXJUCQL-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66226;MM66226;CN=CN(O)C(C=O)=NC;ZEIYFKOHMRCDDG-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66227;MM66227;C=NNC(C)C(C)NCC;CPDMQIDJCRKDKY-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66228;MM66228;CC(C=CF)N(C)CCN;FHNUDWAEMZUABE-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66229;MM66229;C#CC(O)C(C)CC(C)=O;FRFPFMHOJOFWFZ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16553;MM16553;C#CC(O)C(C)CC(=O)O;QMJGCGYLQPHTOX-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66230;MM66230;CC#CC(C)N(C)CCN;LICWDWBWQSDWIU-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66231;MM66231;C#CC(C)C(O)CC(=O)O;MCXAPKYTWZKPJA-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66232;MM66232;NCC(O)C=CC=CF;UYRNTLSPRUQMCX-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66233;MM66233;CNCC(C)=C(F)CNC;VQLUGGKXOBORMX-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66234;MM66234;C#CC(F)C(C)NC(N)=O;NUJGECPQNCCUQG-UHFFFAOYSA-N;144.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66235;MM66235;N#CCN(O)C=NCC=O;WVFIFCPGLNTXEW-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66236;MM66236;CCOCOC(=N)N(C)C;HXJAIMQOLHYCRZ-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66237;MM66237;C=CCN(C)N=CC(C)O;AKXISVBODSPMJM-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66238;MM66238;C=C(CF)C(O)CC(C)O;ZLTYAWLWKUDTCK-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66239;MM66239;C=COCOC(=N)N(C)C;HRAUBKAUIOIHKE-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66240;MM66240;CC(C)=C(F)CNCCN;YIWBXLZGGBVMHT-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66241;MM66241;CNC(=O)C(C)CC(C)O;NIRZXNHKYGGWIL-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66242;MM66242;C=NNC(C)C(N)C(C)C;YTZFCMSXFJKCPN-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66243;MM66243;C=C(C)C(N)C(N)C=CC;VORBWAVPXLTXGD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66244;MM66244;C#CC(N)(C=C)C(=N)NC;INQZBWACEJFJEG-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66245;MM66245;C#CC(C=NN)C(C)O;MHZHBZKPZJMPEH-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66246;MM66246;CC(O)(CC=NN)CCF;XPCJLGHSXRZKMB-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66247;MM66247;CC(C)CN(C)C(=O)CO;AMEAJILYWFSZIT-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66248;MM66248;CCC(=O)N(C)CC(C)O;XXIZNALCXBZFBC-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66249;MM66249;CC=NN(C)C(C=O)CO;ZMUPRLCROQNYDF-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66250;MM66250;CCON=C(CCF)NO;JRBVVBPFVKZEGK-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66251;MM66251;CC(C)CN(C)C(=O)NO;UIRYYGXMTXEYJF-UHFFFAOYSA-N;146.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66252;MM66252;C=CC(C)(CF)NCCN;MDXHQDFKPBEZAM-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66253;MM66253;CC(C)(F)C=CC(O)CN;UANYJUVGVHUTMB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66254;MM66254;CC(C)=CC=CC(O)CN;MDSVEMXIQRVKDK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66255;MM66255;CC(C)CN(N)C(=O)NO;KJOJFNJVRKGOQE-UHFFFAOYSA-N;147.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66256;MM66256;C#CC(=CF)C(=NN)NO;YZOKHDRSTACNJH-UHFFFAOYSA-N;143.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66257;MM66257;CC(C)CN(O)C(=O)NN;XNZNRQJYVUWMFZ-UHFFFAOYSA-N;147.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66258;MM66258;CC(C)CN(O)C(=O)NO;SGUMFGKJLDCZAD-UHFFFAOYSA-N;148.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66259;MM66259;C#CC(C)(CNCC)NC;WURQSVATAYXRRA-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66260;MM66260;CC(C)NN(C)C(=O)NO;NWDFMVGCNXHKMB-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66261;MM66261;C=NNC(CO)C(=C)CF;CVLTZGYNAAFGEQ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66262;MM66262;C#CC(=O)OCC(C)NC;BNWAHXATSWHFJR-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66263;MM66263;C#CCNN=CC(=C)CO;YAICMUWDQWKNJT-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66264;MM66264;C=CC(C#N)OC(=N)NC;MVGSIEBYGLPANY-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66265;MM66265;CC(O)CC(O)C(=O)C#N;ICXRLXDJYISASX-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66266;MM66266;CC(F)CC(O)C(=O)C#N;BTBQPZITIANRRT-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66267;MM66267;C=NN(C=NCC)CC=O;UIMZLBWWXKHGAZ-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66268;MM66268;C#CC(COC(=N)N)OC;FHWXIVXTBMITNU-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66269;MM66269;O=CC=CC=NNCCO;SMJDBXPHQSVRLO-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66270;MM66270;C#CC=C(C=NN)CCO;QDRUHQZXSKOENV-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66271;MM66271;CC=NNC=CC(=O)NC;OHLLUXMJWDTCFK-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66272;MM66272;C=NN(C=NC)C(C)C=O;FXQYLODSRKKLDY-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66273;MM66273;C=NN=CN(C)N(C)C=N;WRBXESHAPVJVBG-UHFFFAOYSA-N;141.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66274;MM66274;C#CCC(C)=CC(O)CN;FVHQGPUDDDYHAR-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66275;MM66275;CCNCCOC(=O)CF;OJDKYWYYHXSNQO-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66276;MM66276;CCNCCOC(=O)C#N;PFGGJOFBFTUSOM-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66277;MM66277;C#CC(=O)OCCNCC;DRKJVNLADDZJSR-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66278;MM66278;C=COC(CN)CON=C;JSFBQQXWPUVBCP-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66279;MM66279;CC(C)ON(C)C(=O)C#N;OLKFTHXCITYMRY-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66280;MM66280;C=NOCC=NNCC=O;JFRDPLLTVLOSLT-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66281;MM66281;C#CC(=C)C(O)CC(C)O;CSUZMADVSSONHJ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66282;MM66282;C=CC=NNC=CC(N)=O;CKWNRSIAUCHBRO-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66283;MM66283;CC=CC(CF)NCCN;PSWXCKHCOWTLRU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66284;MM66284;C#CC(=O)N(C)CC(C)O;OCFZYTYYBBVQFZ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66285;MM66285;C#CCNN(C=C)C=NC;GNWNOVIOZDHXEQ-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66286;MM66286;C#CC=CN(C=N)NCC;RVLZMRZKTQOUSS-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66287;MM66287;C=CC(=C(C)F)C(C)NC;KAUUVPGHIQZUHG-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66288;MM66288;C#CCNC(CN)C(=C)C;ZCAKIXXJDXYMGE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66289;MM66289;C#CC(=O)N(C)OC(C)C;VWHHWCXPMGBSIG-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66290;MM66290;CN(C)C(C=CCF)CN;CGMTXSGMAFTVSH-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66291;MM66291;C=C(C)CC(O)C(=C)CO;HZPIHWCTIFDBPZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66292;MM66292;C#CC=NNC=NCC=O;CWUFWNIGHMXBAL-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66293;MM66293;C=C(C)OC(C)C(=O)CO;RQASEUVIWYQVQS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66294;MM66294;C=CC(CN)NCC=CF;ZDFOLGPGEWTOIM-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66295;MM66295;C#CCN(N=C)C(C)C=O;DWJQKNOWLUWKJP-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66296;MM66296;CC(=O)CN(C)C(=O)CF;CCUXELAMHURZCB-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66297;MM66297;C=CN(C=NNC)OC=O;GONYZSKZKWVIQN-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66298;MM66298;N=CN(C=N)CCC=CF;ZIMJMUCWNNTLKE-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66299;MM66299;C=NOC(=N)NC=NNC;UTYPJWRWLPDQHS-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66300;MM66300;CNC(=O)N(C)CC(C)=O;QKWSCZGOAMCHLQ-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66301;MM66301;C=C(F)CN(C)C(=O)NC;VNTSTWDLAOWYDT-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66302;MM66302;C#CC=COC(CN)CF;BZJVCOPXUSKVCI-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66303;MM66303;C#CC(C#N)NCC=CC;FRVNXSMCWZUWGE-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66304;MM66304;C=NN=C(CC)NN(C)C;JONXGDOOCMUUEB-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66305;MM66305;C=CC(F)C=CC(O)CN;DBZUABASMWWOLV-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66306;MM66306;COC=CC=CC(O)CN;ULGUGWUJPCIDAH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66307;MM66307;C#CCC=CC(O)CN;KFKRIQMCIDJMIV-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66308;MM66308;C=COC(CON=C)=NN;GOCAVYDJPSHKFC-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66309;MM66309;C=CC(O)C=C(C)CNC;DRIPAMSXRCQKRA-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66310;MM66310;C=NOC(=NC)NOC;DZTPKKLWRMJTSR-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66311;MM66311;COC(=O)N(C)OC(C)=O;IZSBOGHCOIPWMZ-UHFFFAOYSA-N;147.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66312;MM66312;C=CC(C=C)N(C)CCN;QOASZVZOIRWQDQ-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66313;MM66313;C=C(C#N)C(C)CC(N)=O;DQVGUUXPTKZGTC-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66314;MM66314;C=C(C)CC(O)C(=O)C=O;YEYQNRFQKQKAIM-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66315;MM66315;CC(C=CC(O)CN)CF;VUTBSGTVKGXMKX-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66316;MM66316;C=CC(=C)C(C)NC(N)=O;GNJNXUMXNRGOQH-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66317;MM66317;C#CC(C)C=CC(O)CN;ZCUJFOXJKBNCBB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66318;MM66318;C=CC(=O)C(C)OC(N)=O;TVOQSGYTRHLLLT-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66319;MM66319;CC(C)OC(=N)N;HTWGHPLTTCMRKW-UHFFFAOYSA-N;102.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66320;MM66320;C=C(C)CN(C)C(=O)C=O;HVVXLVUDEVVGNS-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66321;MM66321;CC(=O)CN(C)C(=O)C#N;RPJWAQURKFJWIY-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-[methyl(prop-2-enoyl)amino]acetic Acid";MM03608;C=CC(=O)N(C)CC(=O)O;OBXSAUMTBVIHRA-UHFFFAOYSA-N;143.14;-0.28;19028675;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66322;MM66322;CN(C)C(C#N)=NCCF;SOYKCKFPRPASSQ-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66323;MM66323;C#CC(C)(C)NC;ZMUVNMBTDREBRP-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66324;MM66324;CN(NC(N)=O)C(=O)C#N;PKZUOQMRDRMLFB-UHFFFAOYSA-N;142.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66325;MM66325;CC=CC(O)CN;KBYJBEASOPKUNG-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66326;MM66326;CC(=O)ON(C)C(=O)C#N;AQDJYRVRCMTWJQ-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66327;MM66327;N=C(N)OCCF;PHVROESUIJJDLC-UHFFFAOYSA-N;106.1;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66328;MM66328;CN(OC(N)=O)C(=O)C#N;DRTPTZDGAACNNE-UHFFFAOYSA-N;143.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66329;MM66329;C#CC(=O)C(O)CC(=C)C;WNPJVXNMJONLDU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66330;MM66330;C#CC(=O)C(C)OC(N)=O;HCAQDGGEBGKDIZ-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66331;MM66331;CCC=CC(O)CN;NSTBXPIOXMJDFR-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66332;MM66332;CC1NC1(C)CN;BYKDWUCPAITNKH-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66333;MM66333;CN1CC1(C)CN;HARONQYLFSROHA-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66334;MM66334;COC(CN)CF;BRHPSSFGOFQZEU-UHFFFAOYSA-N;107.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66335;MM66335;CCC1(CN)CN1;ZIAPDJAOASUYQG-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66336;MM66336;C=CC(O)CN;VEPSIZZAILVTSD-UHFFFAOYSA-N;87.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66337;MM66337;C#CC(=O)N(O)CC(=C)C;HVTQSDFRFPSTHV-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66338;MM66338;CCC(F)C(C)(C)N;HHOPYTCVCFFXSQ-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66339;MM66339;CN(C)C=NCC(=O)C#N;XGPQJVDPHFVQNT-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66340;MM66340;C#CC(=O)N(C)NC(C)=O;PUABZPLTASMJMB-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66341;MM66341;CCOC(CN)CF;MMZIXUJPUAYSLO-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66342;MM66342;C#CC(=O)N(C)OC(C)=O;HUYCPCOSLONAOS-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66343;MM66343;C=NN=CC(=N)NOC=O;GSSCKNNFIYGFAC-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66344;MM66344;CC(C)C1(CN)CN1;YYFYDRKVMAYRBH-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66345;MM66345;C=NNCC#CC(C)=NN;NUFZBYUKQBJBEH-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66346;MM66346;CNCC#CCNC;WZHGUSNKDQSUPH-UHFFFAOYSA-N;112.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66347;MM66347;CNC(C)(CC=O)C(C)O;XFZHXZSCDRBLRW-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66348;MM66348;C#CC(C)(CN)C(C)O;GXHOGOWQDCEIEM-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66349;MM66349;C=CC(C)(F)C(C)(C)N;CHRXPKWWFJZDNC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66350;MM66350;CCC(F)C(=O)NN(C)C;MPTIUARFDCZWIV-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66351;MM66351;C=NOC(C)C(C)(C)N;LPWWLUQCCOFBTI-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66352;MM66352;CNNC(=O)NC(=O)NN;TVPCRGGSUBXXQG-UHFFFAOYSA-N;147.14;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66353;MM66353;CC(=NN(C)C)C(=N)N;ZZFDQRXIYKGYJR-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66354;MM66354;CC(O)CC(=O)C(C)C=O;LHGXYYCKFDMXDV-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66355;MM66355;CC(O)CC(=O)C(C)C#N;QSWIFSMJFBFCDL-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66356;MM66356;CC(O)CC(=O)C(O)C#N;IBNIOYKWIAHYMJ-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66357;MM66357;C=CC(O)C(=O)CC(C)F;IDZUIBJSPCCFES-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66358;MM66358;C=C(CF)N(C)C=NO;YLIRNJCFGJLOTH-UHFFFAOYSA-N;132.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66359;MM66359;C=C(C)C(N)(CO)CCF;VXXMKIOITJPJDA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66360;MM66360;CC(C)NC(=O)C(C)C=O;VVDDSUIMITWCOE-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66361;MM66361;CC(C)NC(=O)C(O)C#N;WRJFCOVETAWSTK-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66362;MM66362;CC(C=NN)CN(C)C;IUAFYGZEJWFZFI-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66363;MM66363;CCC(N)(CO)C(C)=CF;FRTXHBXIKGJYAT-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66364;MM66364;C=CCN(C=NN)C=NO;GKGDRVDIPORQJO-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66365;MM66365;C#CC=CNC(=NC)NO;KDHQNIFGWXHOCO-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66366;MM66366;CC(C#N)C(=O)NN(C)C;WAYYJWCUGOOOHL-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66367;MM66367;CN(C)NC(=O)C(F)C#N;NSZUBBDLNFCQCM-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66368;MM66368;C#CC(C)(N)CCOC;HKTGRDYVFOARQK-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66369;MM66369;CN=CNC(C)(C)C=O;QASSNQGSUHXMHA-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66370;MM66370;CCC(F)COC(=N)N;DOMYJRDWEHQZND-UHFFFAOYSA-N;134.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66371;MM66371;C=CC(F)COC(=N)N;JJWILCMZUPZHOT-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66372;MM66372;CC(C)CC(=O)N(C)C=O;XYXXSJDAZKXVOO-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66373;MM66373;C=CN(C)C(=O)CC(C)O;YZMALNPCJWIUTM-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66374;MM66374;CC(C)NC(CN)CF;JKUOMAIFSBRFQW-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66375;MM66375;C#CCC(=N)N(N)C=C;PSUDPHFUKYZULM-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66376;MM66376;CNCC(C)=C(F)CN;FSKCXABBQTXNMM-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66377;MM66377;C#CCN(CC)CCN;WJGYWFHMVVFUFA-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66378;MM66378;C#CC(CC=C)NCC;IYVLRZKZIHFNFM-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66379;MM66379;C=CNC(=O)NC=NCC;JEVWSOZKOCJRGF-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66380;MM66380;CCNC(CN)C(C)F;ORTZXYMZYTZVIV-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66381;MM66381;CC=CN(OC)C(C)=N;CIRVVGSLDYMRJY-UHFFFAOYSA-N;128.18;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66382;MM66382;C#CC(=C)C(CN)OC;XMVJFZYZLNQAFY-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66383;MM66383;C#CC(O)(C=C)CON=C;QRXZFMRVQAEVIR-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66384;MM66384;C=CN(O)C(=O)OC(C)C;OPCBHLUWNONTDW-UHFFFAOYSA-N;145.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66385;MM66385;C=CCOC(CN)CF;IZLUMUQCHKTBRD-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66386;MM66386;N#CCCN=CNC=N;JJNJEWZCVUDMDS-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66387;MM66387;CC(F)=CC(C)(N)C=CF;JAYKFBFSFRIORO-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66388;MM66388;CN(C)CCC(C)(F)CN;BLBPKHZESOULDM-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66389;MM66389;CC(=NO)NC(C)(C)C=O;LUVWOAQXMOHVOU-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66390;MM66390;C#CC(O)C(=C)CC(C)O;NHILVMUFDZJWAT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66391;MM66391;C#CC(C)C(=O)CC(C)O;ZPOHMBLIQNHXJL-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66392;MM66392;C#CC(F)C(=O)CC(C)O;QQDULPRJMRESPH-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66393;MM66393;C#CC(F)C(=O)NC(C)C;WWPOWVHAALYRLN-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66394;MM66394;COC(C)(C)COC(=N)N;HVGHACDFFDVCTG-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66395;MM66395;C#CC(O)C(=O)OC(C)C;APTHTUMBTZQQLD-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66396;MM66396;C=CC(C)(N)COCOC;VFDCMYWSSOVPDR-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66397;MM66397;CCC(C)C(=O)CC(N)=O;GVLUIDFSVFWIHI-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66398;MM66398;CCC(O)C(=O)CC(C)=O;BKUHSEKYCAHYEQ-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66399;MM66399;CC#CCC(N)C(C)O;BPDDYAOHSGOUPN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66400;MM66400;C#CC(N)(CC=C)C(C)N;HWLMJMSFOKGTCO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66401;MM66401;C=C(CC(N)=O)C(C)OC;IOIBLQNHTNVENQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66402;MM66402;C=C(NC(C)=O)C(C)CO;YZEBUDQQGVQYPI-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66403;MM66403;C=C(NC(N)=O)C(O)CC;XLHGJJYOYOXRNE-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66404;MM66404;CNCC(C)=C(C)C(C)O;KXYZLBSEXWTKOQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66405;MM66405;CC(O)C(C)(C)CN;JFRFVXRCBRHLBX-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66406;MM66406;C#CC(C)(O)C(=C)C=NN;PVMIFOLSEGTHFW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66407;MM66407;CNCC(C)=CC(C)(C)O;NENQFQNYHNHFAJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66408;MM66408;C=C(C)NC(=O)C(O)CC;WJYPEUIZCYCKTK-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66409;MM66409;CCCC(F)COC(=N)N;CYFYHCVFGWORHF-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66410;MM66410;CC(C)N(C)N=CC(=N)N;ZKQYDZYPRWLJTP-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66411;MM66411;NCC1(CO)CC1;KTBPXPGXDDKAGN-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66412;MM66412;CCN(C)C(=O)CC(C)=O;WYWQQSUGCKUJJJ-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66413;MM66413;C=C(C)NC(=O)N(O)CC;JJBCJXXHOPERGZ-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66414;MM66414;CCNC(C=C(F)F)CN;KLNJBGYTMNMRHA-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66415;MM66415;CN(C)CCCNCC#N;SSIVBRYOORRWFI-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66416;MM66416;C=C(CC(C)=O)C(O)C#N;IGYCAGBVVJSTFV-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15971;MM15971;C=CC(C)C(=O)CC(C)=O;BYOFZPOKJMLKDU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66417;MM66417;C=C(C)CC(=O)C(O)C#N;IXWCNRXIIKDDSS-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66418;MM66418;C=CC(O)C(=O)CC(=C)F;GIUHVJYQOBWTLX-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66419;MM66419;C=C(NC(C)=O)C(O)C#N;HTSRBQGHJWPAEI-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66420;MM66420;C=CCC(C)(CN)CO;KJKTYLFVKVCACI-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66421;MM66421;C=C(NC(N)=O)C(F)C#N;UUPLKYUKAUCWEM-UHFFFAOYSA-N;143.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66422;MM66422;CC(C)C(C)(CN)CO;JUSLJLVOAMBXRV-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66423;MM66423;C#CCOCCOC(=N)N;GAPWQTBHDOHXRZ-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66424;MM66424;CC(C#N)C(=N)NC(N)=O;JLKOBKPCWZPKMX-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66425;MM66425;C=CC(C)(O)C=NNCC;UUIJWVVNYZMRNW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66426;MM66426;COCCC(C)(O)C=NN;WAEQNMNAISKWIR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66427;MM66427;CCC(CC)(CN)CO;BYUSRVMQEUNYIA-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66428;MM66428;CCCC(C)(CN)CO;YUDDZBBWUIQUHP-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66429;MM66429;CC(=O)NC(=O)C(O)C=O;DCLLYBIOBPDPJX-UHFFFAOYSA-N;145.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66430;MM66430;CC(CN)(CO)CCF;UJVYTWSQTJXCOM-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66431;MM66431;CC(F)CC(C)(CN)CO;MQJARTFMCRGADS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66432;MM66432;CCC(O)C(C=NN)OC;RRPIPWIVILSWBN-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66433;MM66433;C=C(CC(C)=O)N(C)C=O;ZFWSBUNQSMMBRG-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16561;MM16561;C=C(CC(=O)O)N(C)C=O;BIOQHEJPKCMKBT-UHFFFAOYSA-N;143.14;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66434;MM66434;CNCC(C)=C(F)C=NN;FMJHCPFLXBMOFT-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66435;MM66435;C=CC#CCC(=N)N(C)N;NKQLOABZRXBLKM-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66436;MM66436;C=C(OC)C(C)(CN)NC;KHWIOYDPCBEVCN-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66437;MM66437;CC(CN)(CO)CCCF;XWMREPDIETUMMD-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66438;MM66438;CC#CC(C)C(N)CO;XFJCNQCRPWONIC-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66439;MM66439;COCC(C)(C)C(N)CO;GIXVYTUSTZIQHU-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66440;MM66440;C=CN(C)C(=O)CC(C)=O;BOJWOUZJNSWGEF-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66441;MM66441;CCC(C)(CN)OCCO;YHHAISDLUVFYIG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66442;MM66442;C#CC(CC)(CN)NCC;HDNDZBJVLRNBSX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66443;MM66443;C#CC(CN)C(C#C)CO;WFCGLMBGIJUZPI-UHFFFAOYSA-N;137.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66444;MM66444;C#CC(=N)NCC(=C)OC;ONDNVRRDDCQAKS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66445;MM66445;CCC(CO)=C(C)CNC;GREPZKXFFXWJMW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66446;MM66446;CNCC(C)=C(C)CO;QROYHTRAXDGCFB-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66447;MM66447;C=C(CNC)CC(O)CC;XKDMUINZHOULJO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66448;MM66448;C#CC(C=O)=CC(C)NC;LMOZEDHMSQOCRY-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66449;MM66449;C#CC(CN)NCC(C)C;ADNLQUZPJNZYKW-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66450;MM66450;CCC(COC(=N)N)OC;MPZXHPRQSLVZCE-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66451;MM66451;C=CC(COC(=N)N)OC;UWTHGNSRJHTPTI-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66452;MM66452;C#CC(C#C)COC(=N)N;DOWFIOXXKRZPTN-UHFFFAOYSA-N;136.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66453;MM66453;CCN(CC)N=CC(=N)N;NPVCXFMHIPTJEY-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66454;MM66454;CNC(C#N)C(F)CO;ZVSBBRLVUCSLHX-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66455;MM66455;CN=CNC(C)C#CC=O;KUAHZFQWWFCLSF-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66456;MM66456;C#CC#CC(=C)C(N)CN;GFEIWCZXIIUTFO-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15992;MM15992;C#CC(C)C(=O)CC(C)=O;IUROSAFHXITEMN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66457;MM66457;C#CC(O)C(=O)CC(=C)F;CQKCIUKLPFUKKE-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66458;MM66458;COC=C(C=NN)C(C)O;IWOPJAKJBUQNRW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66459;MM66459;C#CC(C)C(=N)NC(C)=O;ARDBMLXTVJKRHM-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66460;MM66460;CC#CC(C=NNC)CO;MURBUCYXJUCESG-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66461;MM66461;C=CC(C)ON=CNO;QSBKFJIZIXVBPL-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66462;MM66462;C#CC(C)CN=CNC=N;YHZHEOVOWHFIRY-UHFFFAOYSA-N;137.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66463;MM66463;CC(C=NNCC=O)CO;KPNZGHUQGXYAPW-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66464;MM66464;C=NNC=NNCCO;HOQDRRSJWWSGKG-UHFFFAOYSA-N;130.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66465;MM66465;C#CC(O)C(=O)OC(=C)C;KECMNSUNUBAYBV-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66466;MM66466;C=C(CNC)C(C)C(C)O;UGZYZOUQBLBULJ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66467;MM66467;C#CCNC(C)=NCCO;WOWZIFWJYNPIFI-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66468;MM66468;CCN(C)C(CN)COC;HSYTVPFSKVVZAD-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66469;MM66469;CCC(=CC(C)O)CNC;IIYKZQFNARIIMV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66470;MM66470;C=C(CO)C(=O)CC(C)F;VBXIINSRMHTQGS-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66471;MM66471;C=C(CNC)CC(C)(C)O;FSWJTUPNQBQHBH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66472;MM66472;C=C(CNC)C(C)CO;CWLYERBWUBSKEE-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66473;MM66473;C=C(CNC)CC(C)O;UUPLQSLZRVYLKW-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66474;MM66474;C#CC=C(C#C)C(N)CN;SGIDPYLUAYHNRT-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66475;MM66475;CC=C(CNC)CC(C)O;NGIHFNXFKZEGFK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66476;MM66476;C=C(OC(C)C)C(=O)CO;PZASPEGHUYXLKN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66477;MM66477;C#CC(C)=C(CF)CNC;XVQNXYULEXEQCB-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66478;MM66478;COCC(CN)OC=CF;GYVYMZRUOAHLAL-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66479;MM66479;CCC(=CCO)CNC;DRKLIRMDBUYSLK-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66480;MM66480;COC(=O)C(=O)OC(C)C;VNWKDBPNUBZTGN-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66481;MM66481;CCC(OC)C(CN)OC;AYEKGFJVJJRHFF-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66482;MM66482;C=CCC(F)C(CN)NC;VQSHWODUURQLGQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66483;MM66483;CC=C(OC)C(=N)NC=N;ROJPFLWMTZSGQD-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66484;MM66484;C=C(CC(C)O)C(=O)C=O;KNQIXDOZBNLIOV-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66485;MM66485;C=C(C)CC(N)C=CCO;KSNJEFSKYSVYEC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66486;MM66486;CC(C)NC(=O)C(=O)C#N;HUZMPQZHTRESOI-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66487;MM66487;C=CN=CNCC#CC=O;SRZNFRJEDUDBJK-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66488;MM66488;NCC1CO1;AFEQENGXSMURHA-UHFFFAOYSA-N;73.1;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66489;MM66489;C=NNCC(F)CCO;GXJYOKMXCFJZGT-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66490;MM66490;CC1(CN)CN1;MEJBIPAUUBOHLW-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66491;MM66491;CC(F)C(C)(C)N;GXJKUYWZIZEFLI-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66492;MM66492;C=NNC(=N)N(N)C(=C)C;IVOCKUBWANHEAR-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66493;MM66493;C#CC(=O)C(=O)CC(C)O;IJCWECWIZYNZKP-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66494;MM66494;C=C(CO)C(=C)CC(C)=O;VZBRYWDKLRLLKT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66495;MM66495;C=C(CC)C(=O)CC(N)=O;SSDOSCUSJXIHEX-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66496;MM66496;CC=C(CCO)CNC;JPRRXIYLOXENKZ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66497;MM66497;C=C(CC(N)=O)C(=C)OC;VMMUFCZVJLLVNO-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66498;MM66498;C=C(CO)C(=C)NC(C)=O;VUZBOIVZDVLQIO-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66499;MM66499;CNCC(CCO)=C(C)C;XDDQRMXFVGFARS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66500;MM66500;C=CC(N)CC#CCCO;ACJLPXFVDMMWRV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66501;MM66501;C=C(C)OC(=C)C(=O)CO;DRFWZVAYMSZPOI-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66502;MM66502;C=CC(C)(N)COC;JZBPGXAUKWVQNK-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66503;MM66503;C=C(C)CC(=C)C(=O)C=O;RIVVKEHFXKVQIB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15687;MM15687;C=C(CC(C)=O)C(=O)C=O;IXRCWOSTXZUEPJ-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15676;MM15676;C=C(CC(C)=O)C(=O)C#N;KQGDFHQLGLJLCP-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15789;MM15789;C=CC(=C)C(=O)CC(C)=O;CLFXDBKYQNACKN-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66504;MM66504;C#CC(C)(N)C(C)N;CVSOCLOPPNNZKW-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66505;MM66505;N#CC(=O)C(=N)NC(N)=O;XJTQQAMAZCANPC-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66506;MM66506;C=CC(=C)C(=O)NC(C)=O;OETRLHPVHJKRPR-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66507;MM66507;CC(CF)N=C(N)CC=O;LEVSTCKQVAOISQ-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66508;MM66508;CNCC=C(C)C(=O)NC;ZIWFLXSFPZPVRY-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15531;MM15531;C#CC(=O)C(=O)CC(C)=O;OJOSSKUHHPSGSW-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66509;MM66509;C#CC(=C)C(=C)NC(N)=O;DXRCVOFJSMWTMB-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66510;MM66510;N#CCCOC(=N)N;FXACHZYEDUIXTR-UHFFFAOYSA-N;113.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66511;MM66511;C#CC(=C)C(=N)NC(C)=O;PHJUGJGVQLZXIP-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66512;MM66512;CCC(N)C(C)(C)NC=O;AMYWZSDSJPDBLA-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66513;MM66513;C#CC(=O)C(=O)NC(=C)C;NMRAOEIMVPWBQC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66514;MM66514;CC(C)C(N)C(C)NC=O;QBEHBGPMMJVULJ-UHFFFAOYSA-N;144.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66515;MM66515;C#CCCOC(=N)N;PJLMQIWNEUKAKR-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66516;MM66516;CC(=CF)C(O)CC(C)O;UDCZMIKDKGRDDJ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66517;MM66517;CC(F)=C(C)NC=N;KGRCYPISZWKZQH-UHFFFAOYSA-N;116.14;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66518;MM66518;C=CC=CNC(=N)NN=C;AJKNBAHAPKOLJD-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66519;MM66519;C=C(C)C(N)C(=C)C;RMOZCUTWHQZSMK-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66520;MM66520;C=C(F)CC(CC=O)NC;OQNJPIOYECSHMT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66521;MM66521;N=C(CC#CC(F)F)NN;CJLZIMGNCMOOCU-UHFFFAOYSA-N;147.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66522;MM66522;C=CC(C)N(N)C=N;GBFYGQZLXIPPQV-UHFFFAOYSA-N;113.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66523;MM66523;C#CC(C=CCO)C=NN;YDKFEUSPGBMSDR-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66524;MM66524;CC=C(C)C(O)CC(N)=O;GZHJSXHLGWHMQC-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66525;MM66525;C=NN=C(C=O)NNC=N;DCGPDBYQRDYJLN-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66526;MM66526;C=CC(CF)=NNC(=N)N;OUVXEVRQLDHZHG-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66527;MM66527;N=C(NN)C(=N)NN;GUUTVNSLWGCVFC-UHFFFAOYSA-N;116.13;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66528;MM66528;CN(C)NC(=O)C(F)=CN;YKHGOHQPYGCOKA-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66529;MM66529;C=NOC(=NC=NC)NC;CQPDDOUZEFUSQR-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66530;MM66530;C=C(CC(C)=O)C(C)=NO;YEONJJVUMXDZPW-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66531;MM66531;C=CC(=NN)OCC=NN;YCVOQORBCOZAJD-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66532;MM66532;CNN=C(NC=N)NC=N;SZMIOONULZHSPE-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66533;MM66533;C=CC(=NN)NC(=N)CC;ZGAURFMLKODLRB-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66534;MM66534;C#CC(NC=NN)C(=N)N;ATYOOTVBXRNXFS-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66535;MM66535;N=CNC=NN=CCCN;XSXBGCFAQUJSOI-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66536;MM66536;C=NN=CC(=CN)NC=N;ZIABGUOAVNBTCI-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66537;MM66537;CN=C(NN)NC=NO;ZMGRKUOVJGKQMP-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66538;MM66538;CC1OC1(CN)CN;RFKFXXOPLASPQW-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66539;MM66539;C#CCNC=NC=C;QXBPGRWSCZEGFK-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66540;MM66540;CNC(CN)C(C)(C)F;ADEVSXLUPTYJHS-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66541;MM66541;CC(C#N)COC(=N)N;CUEPNVIKPUSDES-UHFFFAOYSA-N;127.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66542;MM66542;C#CC(C)COC(=N)N;ZVVAUNCHXOQXKJ-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66543;MM66543;C#CC(=O)N(CC)N=CN;GAEGKECLYMDBEY-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66544;MM66544;CC=C(CN)CN(C)C;MIXBEKQETRJLAD-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66545;MM66545;CCC(O)(CN)C(C)F;BXCSTSFFEPTDGV-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66546;MM66546;CC(C)NCC#CCN;PQZCWGPIJZAFHI-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66547;MM66547;CC=CCN(C)CCN;WJYGKLNBDCEMNT-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66548;MM66548;COC(=N)N(C)N=CCF;VGGORFQHLIPLQP-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66549;MM66549;C#CC=CC(=N)NC=N;FQTVFWVNCOGNSN-UHFFFAOYSA-N;121.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66550;MM66550;CC(C)=CC(F)C(C)C=O;GCLBLTYWQOKFMX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66551;MM66551;C=CCC(O)(CN)CF;OVMCNRCOQHBFFQ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66552;MM66552;C#CC(O)CNCCC;HZNPOEWBHRRKAZ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66553;MM66553;C#CC(O)C(O)C=C(C)F;JRJJIXDHRYTBFV-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66554;MM66554;CN(C)C(=NO)C(=N)N;KCGQTAIWHDZNBB-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66555;MM66555;CNC(=O)C(O)C=C(C)C;OTKQSNWFVLQIBV-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66556;MM66556;CCNC(C)C#CCN;GTOXNYXEDQVWCC-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66557;MM66557;C=NNC(=NO)NNC=O;ULGBOHPBRPDRRX-UHFFFAOYSA-N;145.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66558;MM66558;C#CC(C)C(O)(C=C)CN;QKRQEGXNWBXDFP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66559;MM66559;CNC(=O)N(O)C=C(C)C;KWFAEAPXNLMDGS-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66560;MM66560;C=C(C#CC)C(N)CN;BNFNLSUWNJQLDF-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66561;MM66561;C#CCC(O)(CN)C(=C)C;HTSFBHPCRWOCKQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66562;MM66562;CCOC(CN)COC;KREATHSVITXNTL-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66563;MM66563;CCC=CC(O)(CN)CN;NYWKQGLVGVKNES-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66564;MM66564;CNCC(C)(O)CO;VBONAERSOMJMRN-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66565;MM66565;CC(C)=NN(C)C(=O)NO;WSAMJTJBSLMESP-UHFFFAOYSA-N;145.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66566;MM66566;C#CCN(C=N)CCF;XVLYBXMARVESSL-UHFFFAOYSA-N;128.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66567;MM66567;CC(C)=CC(O)C(=O)C=O;DGVDAUOBQFOBRU-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66568;MM66568;CC#CC(NC)C(C)N;VRQHXPMGGRSIBT-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66569;MM66569;CC(F)=CN(C)C(=O)C=O;OYGVACGUMPIVQU-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66570;MM66570;CC#CC(=NO)N(C)C;KPEVYZQLWNZOQT-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66571;MM66571;CCC(CNC)=C(C)F;JHOISTKBCWKXAS-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66572;MM66572;CC(C)N(C=O)C(=N)N;HSMXFTQYQVBYHM-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66573;MM66573;C#CC(=CC)C(N)CN;XIOVFCNNQJOHQF-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66574;MM66574;CCNCC=CC(=O)CO;XGYACPXCTUAKLS-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66575;MM66575;CCC(O)C(=O)C=C(C)N;KTVIEKOPMPUPHL-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66576;MM66576;CC=CNC(=N)C#CCO;LSGNDQDUXGPMHH-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66577;MM66577;C#CC(C)(C)C(O)CN;QNZHJWWXAKTQST-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66578;MM66578;CCNCC(CF)NC;UHXHECNTMOQKIH-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66579;MM66579;C=C(C=C(C)C)C(O)C=O;GMVZJJNWGHILND-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66580;MM66580;CC(N)=CC(=O)C(C)C=O;QOHLXOMPLJEXKC-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66581;MM66581;C=CC(O)C(=O)C=C(C)F;LSZFEPCZZVZSGY-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66582;MM66582;CC(F)=CC(=O)C(O)C#N;JIQSFEJVLJZUET-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66583;MM66583;CCOCC(CN)OC;ONACKTDLVVJBFV-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66584;MM66584;CCCNC(CN)CF;UTKXQWVQZBAERU-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66585;MM66585;CNC(=N)OC(C)(C)C#N;GETVMFRGBNJSDU-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66586;MM66586;C#CC(C)(C)COC(=N)N;AJOULZPNHUSPJT-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66587;MM66587;C=CC#CC(C)C(O)CN;VUYITNSKYWEZDL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66588;MM66588;CC#CC(C)C(O)CN;DDVDMMMFUMNVKX-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66589;MM66589;CC(C)=CC(=O)N(C)C=O;MMCUIDHXUQZZOW-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66590;MM66590;C=CN(C)C(=O)C=C(C)N;HYWONABSEIXAEZ-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66591;MM66591;COC(C)(CN)CN(C)C;XUWFZVDNILCUIL-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66592;MM66592;CNCC(NC)C(C)(C)F;MPHDGEKPPWAZRV-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66593;MM66593;CC(C)=CC(=O)N(O)C=N;KHKFSTNZLSKHNR-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66594;MM66594;N=CNNC(=N)OC(=N)N;ZTWKZEBUSBJOIW-UHFFFAOYSA-N;144.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66595;MM66595;CC(C)=CC(=O)C(=O)CO;ORUXJXOKBYWLQW-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66596;MM66596;CC(N)=CC(=O)C(=O)CF;RKTXFXZKQOFPAP-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66597;MM66597;C=CC(C)(N)CNCCF;LNVVVJHUSLFAEE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66598;MM66598;CNC(=O)C(=O)C=C(C)C;CIAAHEZCKPWMIR-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66599;MM66599;C=C(OC)C(=O)C=C(C)N;POJLDARDGZXDFN-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66600;MM66600;CC(C)=CC(=O)C(=O)C=O;IDVURCXFHCZNOX-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66601;MM66601;C#CC(=O)C(=O)C=C(C)N;LUJUCWOCNIRJBH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66602;MM66602;C=NOCCC=NNC=O;SYYUQHGQEOMUSW-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66603;MM66603;C#CC(C)(N)C(N)CC=C;VWQWWWBTRWYIQM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66604;MM66604;CN(C)C(C)(C=CF)CN;PFZFLRNOPFVVSC-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66605;MM66605;C=NNC(C)COC(=N)N;RYAHKXGWRYHEHQ-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66606;MM66606;CC#CC(=N)NN(C)C=N;ZWPJAEWHOCPTNQ-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66607;MM66607;C#CC(CC)C(O)CN;DOPAEQMHMXGNHA-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66608;MM66608;CCNNC=O;OIZBTNMSPCPUJT-UHFFFAOYSA-N;88.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66609;MM66609;C=NOCC(=O)C(C)(C)O;VHKCUYGKKLHXFK-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66610;MM66610;CC(C)=C(CN)CN(C)C;ISFIQAYUJMJSND-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66611;MM66611;CC#CCN(O)C(=N)N;VOZKKWIVSUUTEK-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66612;MM66612;CCOCCN(C)CCN;XWKDJMUGPWUPMT-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66613;MM66613;NCC(O)CN;UYBWIEGTWASWSR-UHFFFAOYSA-N;90.13;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66614;MM66614;COCC(C)CN=CNN;XXPDMZHJGGLKDF-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66615;MM66615;CN(CC=CCF)CCN;OIXFXDCYLUGNEV-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66616;MM66616;C#CCC(=N)NC=COC;IZVBEJVMFRSWKA-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66617;MM66617;CC(=CC(C)O)C(O)C=O;MZPRPUZDERKDEH-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66618;MM66618;CN(C=N)C(C)(C=O)CO;PQEYJAHCYGXPQP-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66619;MM66619;CC(CO)OC(C)(C)CN;YJEDTXVPMTUDSH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66620;MM66620;CC#CC(CO)N(C)C=N;HTOOJKKRKSJANG-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66621;MM66621;CN(N)C(=N)CC#CCF;HBNNMSSFARXKSO-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66622;MM66622;CC#CC(N)C(N)C(C)C;GHFBDIKVDGNRFP-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66623;MM66623;C#CC(C)(CN)CO;SUTGYJTXIIYCGS-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66624;MM66624;C=C(C)C(F)=C(C)CNC;XMEJHJYBGARQNH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66625;MM66625;C#CC(C)(C=C)NCCN;LLWWVMTWPCLWFU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66626;MM66626;C#CC(O)C(C)=CC(C)O;KNKHKASLNNZOFP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66627;MM66627;C#CC(CC)(CNC)OC;MPIUWVLTQJSLOY-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66628;MM66628;C=C(C(=N)NC=N)C(C)O;YWZREXWNRZUDMO-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66629;MM66629;C=NNCC(C)(F)CO;UXGGMVDBVNDAJX-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66630;MM66630;C=CC(O)CC(N)C(=C)C;NJWQDBONQXRBHJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66631;MM66631;CC(C)(CO)ON=CNO;FRBORFCAVQLICX-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66632;MM66632;C=C(C)C(NCC)C(C)O;JBYXEFYPKXQVLW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66633;MM66633;CCN(C)CCC(C)=NN;PGVHYMSHQQUKKN-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16256;MM16256;CC(CF)C(N)=CC(=O)O;YCQKWNWUVAPAIX-UHFFFAOYSA-N;147.15;0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66634;MM66634;CCC(O)C(N)=CC(C)=O;PKMJFOIVIAODED-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66635;MM66635;C#CC(C=C)C(N)C(C)O;RGSNDSPCPKICQJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66636;MM66636;C=CCCC(=N)N(C)O;VZZGWFZJADKILJ-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66637;MM66637;COC(C)C(N)=CC(C)=O;IEHOLFKNHUANHF-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66638;MM66638;COC(C)C(N)=CC(=O)O;AFVUMAWRAYDRKW-UHFFFAOYSA-N;145.16;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66639;MM66639;C=NNC(CO)C(N)=O;IVBCEQSMSDEACJ-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66640;MM66640;CCC(O)C=C(C)CNC;NILGISRMJRWUEK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66641;MM66641;C=C(C)OCC(CN)OC;XXGXDKNKVGZIAD-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66642;MM66642;C#CC(C=C)COC(=N)N;VSJMDYRNACZHRZ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66643;MM66643;C=NNC(CF)C(C)O;QUTHUQITMIBSRF-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66644;MM66644;C=C(C)C=C(C)C(O)C=O;IBIARFMKYNCDJO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66645;MM66645;CC(=O)C=C(C)C(O)C#N;GVBKFNHTHXZIKZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66646;MM66646;C=CC(O)C(C)=CC(N)=O;XCNUCILMEOBCIL-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66647;MM66647;C#CC(F)C(=N)NO;BAZKVXAPQFSWHA-UHFFFAOYSA-N;116.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16110;MM16110;CC(C#N)C(N)=CC(=O)O;FWRUMHSLNDTJAV-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66648;MM66648;C=CC(=CC(C)N)C(C)O;NKVAGRQOKFHOFI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66649;MM66649;C=C(C)CNC(C)C(C)O;DBOFPEWHJGPBBU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66650;MM66650;CC(C#N)C(F)=CC(N)=O;OJNOTSKMTSVYAX-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66651;MM66651;CCC(C)(CN)CO;RYZLYDKGAAOFHY-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66652;MM66652;CC(=O)C=C(C)N(C)C=O;AKBZFWVZKQVWBQ-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66653;MM66653;CC(C)(CN)CO;FNVOFDGAASRDQY-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66654;MM66654;CC(=O)C=C(N)N(C)C=O;VPFAKUIJFPPUEU-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66655;MM66655;CN(C=O)C(N)=CC(=O)O;LKHHPNJDPDEOPK-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66656;MM66656;N#CC(C#CC(=N)N)=CF;HHGQVZDOHUQKSB-UHFFFAOYSA-N;137.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66657;MM66657;CNN(C=N)CC=C(F)F;AMVXOBFMJHOOAH-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66658;MM66658;N=C(C=NN)NN=CCO;XEKBXQWOSTVMEA-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66659;MM66659;CCOCCNN=CCO;HDRJNZUFKBXAEB-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66660;MM66660;C#CC(CC)C(N)CO;RCHDBFWDLUCBGJ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66661;MM66661;C=CC(C)(CC)C(N)CO;OHJAGCFVUUSNDE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66662;MM66662;CC(=CC(C)O)C(=O)CF;DALHTETXTVQUSB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66663;MM66663;N#CCOC(=N)NNC=N;YGPMPQLQOAYFIN-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66664;MM66664;N=CN=CN(N)C(N)=O;BNGUSKKQTMRYNI-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66665;MM66665;CC(=CN(C)C)C(=O)CO;IXUIKUVVJBAMOG-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66666;MM66666;C#CC#CC(N)CNCC;GFLUHLJUFLWPNZ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66667;MM66667;C#CC=CN(C)C(=N)C#C;MGMQSTFCOSZOSA-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66668;MM66668;CC#CC(=N)NC(C)CO;IRFOFRACHPYNMQ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66669;MM66669;C#CC(CO)C(=C)C(C)N;HUPRWHMLLAMPLT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66670;MM66670;CC(=CC(C)O)C(=O)C#N;BZXHYDFZXJOICW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66671;MM66671;C=CC(N)C=CC#CCN;HEQFXNMSTKUGCR-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66672;MM66672;CCOCC(CN)OCC;ZDATYGORZMAMAP-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66673;MM66673;C=NOCC(CN)OCC;FWXDRAFXJBKRDE-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66674;MM66674;COCCC(C#N)NC=N;QQHTUJHOBLMJLB-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66675;MM66675;N#CCN(C=N)CCCF;ZDCCOKCVDZYVMR-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66676;MM66676;C=CC(CC(=C)CO)NC;KCYMKGDXODAECF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66677;MM66677;C#CC(=C(C)C)C(N)CN;KLMHINPJWHGCHM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66678;MM66678;C=CC(N)C(CC)C(C)O;LFZJRKFLNJAFND-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66679;MM66679;C=C(C)C=C(F)C(=O)CO;OENIVGDHODHNCC-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66680;MM66680;C#CC(NCCN)C(=C)C;CXVDWIAZOXNBKQ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66681;MM66681;CCCOC(=N)N;QCAFYXGMKSCDKB-UHFFFAOYSA-N;102.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66682;MM66682;CCC(=NCCO)N(C)N;RKHBQYXTTYXWAB-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66683;MM66683;C#CC(=O)C(N)=CC(C)=O;YESXCADMFCGYFM-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66684;MM66684;C#CC(CC)NC;YYOZIOMDBSHDSX-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66685;MM66685;CC(=NO)C(C)=NN(C)C;HICDVEXPTBVDSJ-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66686;MM66686;CCNN=CCOCCO;NSMKFISRKOEKRI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66687;MM66687;NCC1(CN)CO1;HFPQYNXDKGPJMN-UHFFFAOYSA-N;102.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66688;MM66688;CNCC(C)=CC(C)O;SUGBWZUAQABODR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66689;MM66689;C=C(C)C(C)NCC(C)O;BAXXLPWFANQFQW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66690;MM66690;CC(C)COC(=N)N;UAJQKQHHMVEIBX-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66691;MM66691;C=CC(NC)C(C)CO;PZMADQPTIGXKKQ-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66692;MM66692;CCCCOC(=N)N;RVBFJJRQNLWPJO-UHFFFAOYSA-N;116.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66693;MM66693;C=CC(NCCO)C(C)C;JDFLBUHIMZFOBV-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66694;MM66694;C#CCNN=C(C)CCO;KGVKLHLVEWAPTP-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66695;MM66695;N=C(N)OCCCF;XBJHSZHFDPWWJH-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66696;MM66696;C=CCCOC(=N)N;IPUZLFCJHQJLIR-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66697;MM66697;CCCN=CNNC;DJIJBBPBGXPVFO-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66698;MM66698;C=C(C)CCOC(=N)N;LFORQJIKGIPTFO-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66699;MM66699;C#CC(=N)NN(C)C=N;XVQBFYYXDITNQH-UHFFFAOYSA-N;124.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66700;MM66700;CC(CF)COC(=N)N;FMBJMPLLOCTVQC-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66701;MM66701;C=CC(C)COC(=N)N;QAMMRURKQPMIBY-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66702;MM66702;C=NOCC(=O)COCC;WGRUNGJIFJYZLM-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66703;MM66703;N#CC(=N)NCC=O;SBMDEHVTWHGPAE-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Ethanolamine;MM00490;NCCO;HZAXFHJVJLSVMW-UHFFFAOYSA-N;61.08;-1.06;700;DB03994;ETA;CHEMBL104943;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66704;MM66704;C=C(F)C#CC(=N)NC;FIWKEIXMJJPTFT-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66705;MM66705;CC(=O)NC(C)=C(F)CO;DJFBOYQLNLAQDQ-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66706;MM66706;CC(C)CN(C=N)C=N;UOWWEHKJZFMAGM-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66707;MM66707;CC(C#N)=C(C)CC(N)=O;NZJPXVGMQYZXPK-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66708;MM66708;C=C(C)CC(N)=C(C)C=O;WADPRRCEFIQIDE-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66709;MM66709;C=NNCC(F)C=NN;UMNYGMISGJFWQP-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66710;MM66710;CC(=O)CC(N)=C(F)C=O;ITDSBDYYZWYAMO-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66711;MM66711;CNN=CC(F)CC=NN;KXUGDOPLCHCESH-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66712;MM66712;C=CCCCOC(=N)N;XIIPRGSKKYXCOP-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66713;MM66713;C=CC(C)=C(C)NC(N)=O;DFUMSTPHCPDNSI-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66714;MM66714;N#CCCCOC(=N)N;GNYPXDCUUWLADX-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66715;MM66715;CC=NOC(=NC)NOC;WSZLBOFXNUPFDL-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66716;MM66716;C=C(C)CNCCC(C)O;GGSXBDYXQWMJQH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66717;MM66717;C=CCC(N)C=CCO;IWIAQBBVGWAKIV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66718;MM66718;N=C(N)OCCC=CF;PZUOLMBNBQGMGI-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66719;MM66719;C#CC(C)=C(C)NC(N)=O;NDEVEVHOICLIAH-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66720;MM66720;C=COC(=O)OCCN;HBEKMNUJTZFCJI-UHFFFAOYSA-N;131.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66721;MM66721;CC(=N)N(C)C(=N)CF;XDOOXEOIKNQDMZ-UHFFFAOYSA-N;131.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66722;MM66722;CC(CF)C(N)C=CCO;XZNRQKZDUGTWJQ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66723;MM66723;C#CCC(C=CC)NC;QYLVDMVIXINHJO-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66724;MM66724;C=C(C)C(CN)N(C)C;DYCIRSWXXPWFEO-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66725;MM66725;CCN(C(=N)N)C(C)=O;HMKCCALYZFSOTN-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66726;MM66726;COC(CN)C(C)=CF;HMUMLQAZUSUHJV-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66727;MM66727;CC(C)(CN)COC(N)=O;XVULTRYPJAJQCX-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66728;MM66728;C#CC=CN(C=N)NC;LKOLSNAWLGKSOG-UHFFFAOYSA-N;123.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66729;MM66729;C=CCCN=CNC=N;VWCXWWSDOOFKCH-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66730;MM66730;C#CC#CCNCCN;XKWKGYPSKJGVBN-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66731;MM66731;CNC(=N)OC(C)CCO;NEOFPOOBFWCWQR-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66732;MM66732;C=NNCC(=O)OC;QQLXNZVCARYTNY-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66733;MM66733;CCOC(CO)CC(C)O;YTBTVQRKOXWILL-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66734;MM66734;CCOC(CO)CC(F)F;JTMHFZBTEFHKLT-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66735;MM66735;CCOC(CC(C)O)OC;DKGROFHPUJPAAP-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66736;MM66736;C=C(C)CC(C)(N)C(C)F;OMLGQORNAFKTDX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66737;MM66737;C=C(C)C(CCO)NC;FYZRRUVLBTZGSR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66738;MM66738;C#CC(C)(C)OC(=N)NC;NNBSOAWRWGSMQU-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66739;MM66739;C=CC(N)(C=C(F)F)CN;JHTAFHWJPNEARL-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66740;MM66740;CC(C)OC(CO)CCO;PWAMBVGDDJJKDR-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66741;MM66741;C=C(C)CCCOC(=N)N;XIYBCWROXZPBHS-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66742;MM66742;CNCC#CC(C)(N)CN;ZLPKYGLIRSCSEU-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66743;MM66743;CC(CC(C)N(C)C)=NN;RUAOJNKVMPUJSJ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66744;MM66744;CC(CC#N)COC(=N)N;HYSDSXLUNDLZOH-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66745;MM66745;C=NN=C(C)C#CC(=N)N;KTNVIDUTFXEOLS-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66746;MM66746;CC(=O)N(C)C(C)C(C)N;IVSCMOQQGRTFNE-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66747;MM66747;C=C(C)C(C)COC(=N)N;HNHNLFINZXWOKQ-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66748;MM66748;CC(C#N)CCOC(=N)N;FAYCMQDDHHCCBE-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66749;MM66749;C=C(CCOC(=N)N)OC;QSPIYINEBVWVLR-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66750;MM66750;C=C(CCO)CNC;FJKVZKFJDKMYKF-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66751;MM66751;C=CN=C(C)NC=O;ZFTJRMMKNOMLEF-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66752;MM66752;COC(CC=O)CC(C)O;KEOKSOBDKBYDOD-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66753;MM66753;COC(CC#N)CC(C)O;PLIBMQAIBYDHNE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66754;MM66754;C#CC(=C)CCOC(=N)N;USJWQGSZMSYEGK-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66755;MM66755;C=CN(N)C(=N)NN=CC;RGCPBVQMRXANOA-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66756;MM66756;CC=NN=CNC(=N)NN;ZULRXWWSMAMJJK-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66757;MM66757;C#CCC(=N)NN(C)CC;GLEVBVPWGMJJDH-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66758;MM66758;C=COC(=C)CNC=NO;ARKMAYZGTKJFFL-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66759;MM66759;C=COC(CO)CC(C)O;NRKROGAIWOTXFJ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66760;MM66760;C#CC(C)NC(=N)COC;NNXKQYAGVYJXLQ-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66761;MM66761;CCNC(C)C=C(F)CN;WFECAHMMONITHZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66762;MM66762;C=C(C)CC(=CF)CNC;YEIJKZXILRMDKZ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66763;MM66763;CC(C)(CCF)NNC=O;ZBWIJMNTYFKLTI-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66764;MM66764;C=CC=C(CN)CN(C)C;UQISSZJYENQERF-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66765;MM66765;CN=CN(O)C(=N)C#N;VVOPCNGYMCATHL-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66766;MM66766;CC(C)NC(CN)C(C)F;NFEAZOGRPGQVCP-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66767;MM66767;C=CC(CC#CCO)=NN;BOZZMSKLUPXQQV-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66768;MM66768;C=C(F)CNNC=NCC;VBDBZUABMZGLTF-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66769;MM66769;C=CC=CCCOC(=N)N;VVVAEJOGNLJOSC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66770;MM66770;C=NN=CCCOC(=N)N;NEEBOAAAGZARCC-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66771;MM66771;CNCC(C)=CCC(N)=O;JBUBRDBUOPGJTG-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66772;MM66772;CNCC(C)=C(F)C(C)N;VNOLHDASUPAVPY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66773;MM66773;COCC(=CC=O)N=CN;SQHQAJFCUDRPCW-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66774;MM66774;C=NNC(=N)N(C)N;UTNNOWIGPCMNFB-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66775;MM66775;C#CCN(CCN)C(C)C;NQQPDIUSBVIDPT-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66776;MM66776;CC(F)=C(C=NN)C(=N)N;IIIDEOIGUXYMJL-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66777;MM66777;C#CC(C)(NC)C(C)NC;RLWZISZEPMVLOE-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66778;MM66778;CCC=CC(N)(CN)CN;ZADQJTWPSMLMFN-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66779;MM66779;CCNN=CCC#CCO;QUYZFUTUJOGDCT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66780;MM66780;COCC(C=O)CC(C)F;XAWNQWGBVMCAEG-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66781;MM66781;CCOC(C#N)CC(C)O;IKODGOGVMXRPCH-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66782;MM66782;C#CCC(CN)(CF)OC;VCWXZALJKCKYLX-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66783;MM66783;C=CC(CC)COC(=N)N;DPNTTXKBUIZSKI-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66784;MM66784;CN=C(NC)C(C)C#N;PDHGGPGIAJJPHC-UHFFFAOYSA-N;125.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66785;MM66785;C#CC(N)C(N)C(C)CC;RZVAZLYKPGEQHU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66786;MM66786;C=CCCC(=N)N(C)OC;CNGKOEBOLFTCLC-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66787;MM66787;C#CC#CC(N)C(C)NC;KLLNUZNUXXKYBG-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66788;MM66788;CC(CF)CN=CNC=N;WHOHCNLEEZLQQF-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66789;MM66789;C#CC(C)N(CC)CCN;YINMBIZIHSKHFP-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66790;MM66790;CCON(C=O)CC(C)O;GOAPGIMKJONQTD-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66791;MM66791;CNCC(=CF)CC=NN;NGEKRAIMNOSECN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66792;MM66792;CC(O)CC(C#N)CC#N;IXBDWXRJVDTKLK-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66793;MM66793;CNC(=N)NOCC#N;YVGXYFHDVDPHMY-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66794;MM66794;CC(F)CC(C#N)NC=O;MOAFLAZHECZQTK-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66795;MM66795;CC#CC#CC(N)C(=N)N;JQGLWGKDUPMGFV-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66796;MM66796;C#CC(CF)C(N)C(=C)C;PKPVTQKHSPVAJN-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66797;MM66797;COC(C#N)=CNC(=N)N;BMINQEAKTPGZNY-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66798;MM66798;CONC(=N)CC(C)C#N;VPEUBZMADHHPHX-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66799;MM66799;C=COC=C(CF)NC=N;PKGGOYYOXWFPPC-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66800;MM66800;CCC(C(C)N)N(C)C=O;ILTAXQZPWKVTID-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66801;MM66801;C=C(CC)C(CN)N(C)C;QSBIPDFCLJHSRY-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66802;MM66802;C=C(C#CC(=N)N)C=NO;YMWHASFURXZXKK-UHFFFAOYSA-N;137.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66803;MM66803;C=CC(CN)OC=COC;QDPXNGLAOJYQQL-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66804;MM66804;C=CC(CN)OC=NOC;KPQVRAGZMIXPRY-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66805;MM66805;CC(C)CN(C=O)OC=O;AHXSXVRRSLXVDA-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66806;MM66806;C=CNC(=N)C(OC)OC;QDRUCZKZKPTEER-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66807;MM66807;CC(C)ON(C=O)CC#N;NABVAUUWUNCIPT-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66808;MM66808;C=CNC(=N)N(C=O)CC;RQZPAFKPOKRMOV-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66809;MM66809;C#CCNCCCC=NN;ZTJIJYRGWPHIGR-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66810;MM66810;C=COCCN;CEYHHQSTMVVZQP-UHFFFAOYSA-N;87.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66811;MM66811;CC(CF)C(C=NO)CN;SWGIFABTINCTLB-UHFFFAOYSA-N;148.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66812;MM66812;C=C(C)OCCN;OQYZXNBDLARKMZ-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66813;MM66813;CC=COCCN;VPCZGRSIORQDJS-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66814;MM66814;CC(C)=COCCN;VJBCJIDUOMYLLE-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66815;MM66815;CC(F)=COCCN;BLPWRGKIEWLOKB-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66816;MM66816;CNC(C)(CN)CF;BGTNPSDZUWFSJG-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66817;MM66817;C=CC(=C)OCCN;JNGMHRNZECNPEA-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66818;MM66818;CC(=CF)OCCN;OPDULBKYBJQVLR-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66819;MM66819;CC(CN)CC(=NO)NO;UEZLBMLRKYBELG-UHFFFAOYSA-N;147.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66820;MM66820;C#CCC(C=C)NC;IOOMJDSAXLWYPA-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66821;MM66821;C#CC(CC(C)O)OC=O;HRQXTNFBQFPKNJ-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66822;MM66822;C=C(C)C(CN)OC;RMEJLIOEQNESLV-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66823;MM66823;CNNC(=N)NC(=O)NC;PCWATCJGZQWPAA-UHFFFAOYSA-N;145.17;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66824;MM66824;C=CC(CN)=C(F)F;COBBQIVNCDWWNS-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66825;MM66825;COC=COCCN;CDIKGRCHVOLZJJ-UHFFFAOYSA-N;117.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66826;MM66826;N=C(N)NC(=O)NN;PMZBUASCJWNYKK-UHFFFAOYSA-N;117.11;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66827;MM66827;CCCNC(=N)NC(C)=O;UUOUOSXUNZLTKL-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66828;MM66828;CCCN=CNC=N;XQACNHBSLGCZSN-UHFFFAOYSA-N;113.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66829;MM66829;C=CC=COCCN;PALRBKWKPHRLHS-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66830;MM66830;CC=C(NC=N)C(C)=NO;BEXKWVWZXYXGKS-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66831;MM66831;C#CC=COCCN;IPGRGWLUJUCWIK-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66832;MM66832;C#CC(O)(CC)C(C)NC;QSMCRTRSUFIQNB-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66833;MM66833;C=CCC(N)(CC)CF;PXYBADYLYAFZNK-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66834;MM66834;C=CCC(N)(CN)CF;RBKQAIXCEMBJON-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66835;MM66835;C#CC(O)C(CC)NC;FUUMOVXYSMAHTJ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66836;MM66836;C#CC(O)C(C)=CC(C)N;WCIGYXCZQMSYLK-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66837;MM66837;CNC(=N)OC(C)C#N;KJZBCXLAQCDGOJ-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66838;MM66838;C=CCCC(O)(CN)CF;LXFGOFRXIQGRDD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66839;MM66839;C=C(C#CC(=N)N)OC;ULFWIUKIMYUQKS-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66840;MM66840;CCCC(O)(CN)CF;JEQVEOOTRBXHOC-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66841;MM66841;COC(C=C(C)C)CN;AKTPFIVYVFTOCR-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66842;MM66842;COC(C=C(C)F)CN;OOPPLKHHPSGLMU-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66843;MM66843;CCNCC#CC(C)N;QWBOGQXXXMUZAY-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66844;MM66844;C=C(CCF)OCCN;DDNFANFIAIOCJC-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66845;MM66845;CC(C)CC(O)(CN)CF;DQGKYGRAPXPZOK-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66846;MM66846;CC(=N)N(C)OCC#N;HGKDFFQREVZBBJ-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66847;MM66847;CC(F)=C(C)OCCN;BEZOYFACCAHWIB-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66848;MM66848;CC(=COCCN)CF;PPAUFODYPLLTGS-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66849;MM66849;CCC(COC)NC(N)=O;WHOZMAPMPSXOHW-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66850;MM66850;C=C(C)OC(CO)CCO;QAXNMFQMQFEPNW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66851;MM66851;C=C(C)OC(COC)OC;DSMWMULERAKRMZ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66852;MM66852;CC(O)C#CC=CC=NN;MIEYOPSRVCDRGP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66853;MM66853;C#CCN(C)C(C)CN;AQZJQPWQPROSFE-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66854;MM66854;C=COC(=C)N(C)C=N;WTTLOMVJGLTQDW-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66855;MM66855;C=C(F)C(CN)=C(C)F;TWNIMHWFAQNUEM-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66856;MM66856;C#CC(C(=N)N)=C(C)F;SBPGAIQBKGRTCI-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66857;MM66857;NCC(O)(CF)CCCF;WHQBISSMAHVCSG-UHFFFAOYSA-N;153.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66858;MM66858;COC(CC=O)CC(C)=O;MLJWRRQYKRPILE-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66859;MM66859;C#CC(C#C)(CN)CF;OPDVUWPDEFITIM-UHFFFAOYSA-N;125.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66860;MM66860;C=CC(CN)OCCF;RKURBTQRUJBDJK-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66861;MM66861;C=C(OCC=NN)C(C)O;VYVHYUOCGSOSTF-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66862;MM66862;C=COC(CO)CC(C)=O;WEANXMVXQUZBKE-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66863;MM66863;C#CC(=CC)OCCN;AODMJGNSAYXIGK-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66864;MM66864;CC(F)C(C)(O)CN;BZEXTPMZDHBDSX-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66865;MM66865;C#CC(=CF)OCCN;PXWDULMJKCWOJW-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66866;MM66866;C=CCC(CO)NC(C)=O;ZPJDELXKJYBZJC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66867;MM66867;C=C(C)OC(CO)CC=O;WZUIEKUESPDKQU-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66868;MM66868;CCC(CC=O)OC(N)=O;SCMBTPNCSYLOCD-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02600;MM02600;COC(CC=O)OC(C)=O;HXFKESDULREWHC-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66869;MM66869;COC(CC#N)OC(C)=O;CPHPZQQUBKLNOW-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66870;MM66870;CCOC=COCCN;MJFCIBMGGYJTJA-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66871;MM66871;CC(=NN)C(C)O;UOJRWOKZYVOEFA-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66872;MM66872;CCON=COCCN;RDNMTQSFFHAOPA-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66873;MM66873;C#CC(=NN)N(O)CC=C;GGIWLCXWYWKMEV-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66874;MM66874;C#CCC(CC(C)=O)OC;DQDZJPKJVQUQBC-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66875;MM66875;C#CCC(CO)OC(C)=O;WXZRQHWSJVEXAP-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66876;MM66876;C#CCC(O)(C=CF)CN;WSOWXVDTRZIESN-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66877;MM66877;COC(C)(C)CN(N)C=N;RCYMKAMTFPPCHA-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66878;MM66878;C=CC(N)(C=C(C)F)CN;JPQRMQUCIYSXBF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66879;MM66879;C#CC(=CF)C(C)(O)CN;RIIYDOUALQFBAZ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66880;MM66880;C#CC#CC(N)C(C)(C)N;BQNJTKMJWNVWJK-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66881;MM66881;CNN=CCC#CC(C)O;CFKISVJUWQONQJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66882;MM66882;COCC(C#N)CC(C)=O;RRWLPSGOEOKPRM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66883;MM66883;C#CCC(O)(C=C)CN;ZBAGAOFNEKIOFC-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66884;MM66884;C=CC(CCF)NC(C)=O;MIKKIRZLKBDICT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66885;MM66885;CCCC(C=O)NC(C)=O;ZDPSXCIYGRIZIG-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66886;MM66886;C=CC(CCF)NC(N)=O;NGOVXNJDKJQSNK-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66887;MM66887;CCCC(C#N)NC(N)=O;LONNYSSDUFPXGY-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66888;MM66888;C=C(C#CC)C(C)(O)CN;KWQWCOGYVSAWFU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66889;MM66889;C=CC(COC)NC(C)=O;GAASGORFWJNPQI-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66890;MM66890;CCCC(C#N)OC(N)=O;LQWNOMKBHYTFRW-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66891;MM66891;C=C(C=NN)CNC(C)C;INDNDABYGFCJSL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66892;MM66892;C=CC(=C)CN(C)CCN;SYQXLQIBVJSISB-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66893;MM66893;CC(=N)N(O)C(N)=CC#N;KPLXHTFHMJFCMD-UHFFFAOYSA-N;140.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66894;MM66894;COCC(C#N)OC(C)=O;ZGMFLJKKVXHADJ-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66895;MM66895;CC=CC(CN)OC(C)C;QSLCLDBPQVSPPF-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66896;MM66896;C=CC(NC(C)C)C(=C)C;GMQAREKGVCWYOT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66897;MM66897;CC(C)OC=COCCN;XMXYCMTUZAYBHW-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66898;MM66898;CN=C(C#CCO)NC;MYPFQNJZSJMPBU-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66899;MM66899;CC=C(C=O)C(O)CNC;GLAGGCCCIAUXNN-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66900;MM66900;CCC(CO)=NN;XCRCGHWAOYANAG-UHFFFAOYSA-N;102.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66901;MM66901;C=C(C)CC(C=O)CC=O;TXAYLCZEUXMBIM-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66902;MM66902;CC(=O)CC(C#N)CC#N;LUNXEVXRAVJKGM-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66903;MM66903;CC(C)ON=COCCN;XUAUNFAEAGGQMN-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66904;MM66904;N#CCC(C#N)CC(=O)O;QKZJEGYJYOKGSL-UHFFFAOYSA-N;138.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66905;MM66905;C=C(F)C#CCNCCN;DVHCKWWWTQQTJK-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66906;MM66906;C=C(C)CC(C#N)NC=O;AJLKBJAOLITTNG-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66907;MM66907;CCC=CN(N)C(=N)CO;ALEMTYDWMHDVOF-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66908;MM66908;C=COC(C=O)CC(C)=O;WEZYOAZLQDABDQ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16512;MM16512;C=COC(C=O)CC(=O)O;QDLRNOPXSZMFND-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66909;MM66909;CC(CO)=NN;WEXCAUKYKHJOKS-UHFFFAOYSA-N;88.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66910;MM66910;CCNC(=N)C#CC=NN;KVBDTQCURKCRSI-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66911;MM66911;CN(NCC#N)C(=N)CO;WHYXXTZYVDAKPL-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66912;MM66912;C=CC(C)(N)C(O)CC;XNITYURMSVHGTJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66913;MM66913;C=CC(CC#N)NC(C)=O;SGNRYBHKXHEVAU-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66914;MM66914;C=CCC(C#N)NC(C)=O;PAXVNURSUOSTRP-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66915;MM66915;CCNCC(C)(CO)OC;XYILPEFIAILBFN-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66916;MM66916;N#CCC(C#N)NC(N)=O;KBGXLMXUFJQDEZ-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66917;MM66917;C=C(C)OC(C#N)CC#N;PTZWPRWFSSGOAM-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15726;MM15726;CC(=O)OC(C=O)CC#N;XANYPFHDCPCVAN-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66918;MM66918;CC(=O)OC(C#N)CC=O;HGIARNLBDSPMQQ-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66919;MM66919;CC(=O)OC(C#N)CC#N;HVDSSAABOCPJAD-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66920;MM66920;COCC(F)=COCCN;PEZDHWXLFQXCDC-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66921;MM66921;C=COC(C#N)OC(C)=O;RJOFWJZDNAHYEE-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66922;MM66922;CN=CN(C)N(C)CCF;YDVBCMNOQMFYNP-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66923;MM66923;C=CC(C=CF)C(O)CN;RKVJURSRBCQYKO-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66924;MM66924;C=CC(C=C)C(O)CN;ALKCXNVBBDKKIL-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66925;MM66925;CN=CN(C)N(C)C(C)C;XIFQHMFOUDWJIS-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66926;MM66926;CC(=CCN)C(=O)N(C)C;ILMWFVOQYVXGNZ-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66927;MM66927;CCCN(C(=N)N)C(C)=O;LDQWBPZKTYGUKS-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66928;MM66928;CC=C(C)OC(CN)CN;QCGJRGOEAHLQKB-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66929;MM66929;N#CCN(C=O)NC(N)=O;KVMVYMKJMRQFRU-UHFFFAOYSA-N;142.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66930;MM66930;CC(=O)ON(C=O)CC#N;OWJLUMPJBZVCMY-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66931;MM66931;N#CCN(C=O)OC(N)=O;ZHUJSUYQBMGWSY-UHFFFAOYSA-N;143.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66932;MM66932;C#CC(C)=CC(CN)OC;HRXSLECKVIEJGG-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66933;MM66933;C#CCC(C#N)NC(C)=O;UFKUPORDNKFCCM-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66934;MM66934;CC(C)(O)CNN=CCO;YJTQDNOEDPJVJE-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66935;MM66935;C#CCN(C=O)OC(C)=O;CUJXTWLPZMYKJJ-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66936;MM66936;CCN(C=O)C=CC(C)N;OIEVMEUQPVMIIX-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66937;MM66937;C#CC(CON=C)C(C)=O;VYRBJVPLWPFALL-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66938;MM66938;C#CC(CCF)CC(N)=O;YHXZJOKSVJSANF-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66939;MM66939;C=NNCC(=C)OCCN;UQAODUPOSNHWMW-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66940;MM66940;C=C(C=NOC)OCCN;GXYBTLGGYWASFD-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66941;MM66941;COCC=C(C)OCCN;RMRREEWYXDZWPI-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66942;MM66942;C#CC(CC(N)=O)OCC;OVJMQYQDZSSDBG-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66943;MM66943;C#CC(F)=C(C)OCCN;ROPPHWVHCKXVLG-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66944;MM66944;CCN=CNNC(C)CF;ZMSNSTNFKNNGCG-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66945;MM66945;C#CC(COC)OC(C)=O;UOIXSXNWLSCNFU-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66946;MM66946;C=NOCC(=NN)NO;OHBAJECUYDZTBI-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66947;MM66947;C=CC#CCC(O)CN;GDHNLJKURKMEGK-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66948;MM66948;C#CC(OCC)OC(N)=O;AKLJUEMTIZJAPM-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66949;MM66949;COC(C)C=COCCN;VQHSZYWBHKXUPW-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66950;MM66950;CC(F)C#CCC(O)CN;VQPDJWRLYLIOPV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66951;MM66951;CC(C=COCCN)=CF;LBGKATYQFGUXFX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66952;MM66952;C#CC(CC(N)=O)OC=C;CJGFOWZIRYPGCA-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66953;MM66953;CNC(C)C(CF)CC#N;KYQNRSIYAYWZPZ-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66954;MM66954;C#CC(CC#N)NC(C)=O;PPDRFJIZVMIGIQ-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66955;MM66955;CC(=O)CN(O)C=NC=N;FVEZTIALFAZCOY-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66956;MM66956;C#CC(OC=C)OC(C)=O;PLMKDQSNEGONPX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66957;MM66957;C#CC(OC=O)OC(C)=O;DRNURGZRKACQDY-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66958;MM66958;CC(=COCC=NN)CO;WAYCYWZHZLOHBA-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66959;MM66959;C#CC(OC=C)OC(N)=O;KXDHSHANCKETHK-UHFFFAOYSA-N;141.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66960;MM66960;CCOCC=NNCCO;SWJMYGIHDMYADH-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66961;MM66961;C=C(CCO)OCC=NN;BQJIXXIALSNXBT-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66962;MM66962;C=CC(OCC)C(=N)NN;YTVHPOODBGFQTC-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66963;MM66963;NN=CCOC=CCCO;KMMSYQWVEAWSHN-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66964;MM66964;CC=CC(CN)N(C)CC;UBZSWDJPALUPNB-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66965;MM66965;CCC(CNC)=C(F)CN;YMDWNTAOQZTZNR-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66966;MM66966;CC=CC(CN)OCOC;XSZBAMMCIILXFK-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66967;MM66967;C#CC(C=O)N(CC)N=C;TVQANXULSQBBME-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66968;MM66968;C=NNC=NNC=NNC;FNPQMOUGBNIJTC-UHFFFAOYSA-N;142.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66969;MM66969;C=NN=C(OC)OCCN;FFGYNHUFPHYYMP-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66970;MM66970;C=CC(=COC)OCCN;MKPKSLRBDCRGHW-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66971;MM66971;C=CC(=NOC)OCCN;IGWGGICKTIVVEP-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66972;MM66972;C#CC(=COC)OCCN;OXSFSFOGGAPHTO-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66973;MM66973;C#CC(=NOC)OCCN;XWLHMGJZFVQVRM-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66974;MM66974;C#CC(=CCN)NC=NC;JRWPEGIVJCBFST-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66975;MM66975;COC=NNCC(C)=NN;OASGTNGTWGQCHS-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66976;MM66976;C=C(C)C(CN)OCCF;ACNFHEDWECGNRF-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66977;MM66977;C#CC(OCCN)=C(C)C;KWJUUGNJBOCNLE-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66978;MM66978;C=CC(NC)C(=CC)CN;BWDXLJPHLSXHQY-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66979;MM66979;CC=NN=C(C)NN(C)C;PIAKWNALWPNVSK-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66980;MM66980;NCCOC=C(CF)CF;JEOJMHHRVPCBFB-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66981;MM66981;CC#CCC(O)CN;VRFOTOSQLBOIQD-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66982;MM66982;CC(C)CN(C=O)C=NO;OISNEKYWUOQHIE-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66983;MM66983;COC=C(NC=N)C(C)O;YBUVBGNEVJWGCE-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66984;MM66984;C#CCC(O)CN;ZVZGGDQXPNJDCH-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66985;MM66985;CCC(=COCCN)OC;FINLBGKMRIPTSU-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66986;MM66986;C=NNC=CC=O;YRZQIZLUVNNHCO-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66987;MM66987;C=CC(COC=NN)=NN;MYWFGMFQXHAPEK-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66988;MM66988;C#CC(=COCCN)OC;LHDIQPRRTPHTNX-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66989;MM66989;C#CC(C#C)=COCCN;SZAHSFFFJNBJEH-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66990;MM66990;C#CC#CC(=N)NN=C;RWWQTRNRKZISKQ-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66991;MM66991;N#CCNN=CC(F)=CN;YJFPSGVUVXSIFU-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66992;MM66992;N#CCCCNCCCF;XZHHHAXREUASGB-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66993;MM66993;CC=NNCC(=O)OC;MGEMTICOCHCMFW-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66994;MM66994;C#CCCCN=CNC=N;UUUQZQNUSZIMTN-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66995;MM66995;CCCON=COCCN;UUZZEXFYDWRVJG-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66996;MM66996;NCCOC=NOCCF;LIKFWPDVBPIMIV-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66997;MM66997;CC=CC(CO)NC(C)=O;WJNZCPIWJYNJEH-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66998;MM66998;C=NOCC=COCCN;VJLJLFIXHCPYAD-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM66999;MM66999;CC=CC(CF)NC(N)=O;OLSHXBRHDYUJML-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67000;MM67000;CNC(=N)OCC(C)(C)O;BEBYGNVWKWTFPG-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67001;MM67001;CCCNCC(CO)OC;WRUMQRULRWJTLS-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67002;MM67002;COC(C=NO)OC(C)=O;RYWNLYRMHUGYQE-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67003;MM67003;COCCC=CN=CNN;ORDYZGKMWCIGFV-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67004;MM67004;CNN=CC=COCCN;NDINWCKCBZUUJI-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67005;MM67005;C=C(C)C(C)(N)CO;JIZQVYIMBFICTI-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67006;MM67006;CON=CC=COCCN;AXCCSFKPXSNVJX-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67007;MM67007;N=CNC(=O)C(N)=NN;DAKJGRBZIKAHRZ-UHFFFAOYSA-N;129.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67008;MM67008;C=C(CC)C(C)(N)CO;SSZPPAWGVHIOFL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67009;MM67009;C=CC(N)(CO)CCCF;DCNKXELSYPCDMZ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67010;MM67010;CC=CC(C=O)NC(C)=O;BPEQXBOJAIUKOZ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67011;MM67011;CC(=O)NC(C#N)C=CF;DCCBGYPGOTVCMY-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67012;MM67012;C#CC(C)(C)N;VUGCBIWQHSRQBZ-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67013;MM67013;CC=CC(C#N)NC(N)=O;YBCZDCYGCPBHAI-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67014;MM67014;C=C(C=CC=O)NC=NO;IUUCQYKLZIUTIG-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67015;MM67015;CC(=O)OC(C#N)C=NO;RCPNRJLQONWHPK-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67016;MM67016;CCN=CN(C)N;ZQWSEOHMWLEFER-UHFFFAOYSA-N;101.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67017;MM67017;CC=NN(C=O)CC(=O)O;QZIORXSEZYWISU-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67018;MM67018;CC=CN(C=O)NC(C)=O;GLWLHKOTEITMBS-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67019;MM67019;C#CC(C=NO)CC(C)=O;XFYBTYWXBVWEIL-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67020;MM67020;C#CC(C=CC)NC(N)=O;HEFFSXLJBIOJCE-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67021;MM67021;C#CC(C=NO)OC(C)=O;LOVUQKLCLHUUAO-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67022;MM67022;N#CCN=CN(O)CC=O;IXWNLTLFAMNYNL-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67023;MM67023;C=C(CF)CNC;FTDUAFBHAPQEJW-UHFFFAOYSA-N;103.14;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67024;MM67024;CC#CC(CC(N)=O)OC;LUYFCLTXYGVZSC-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67025;MM67025;CC#CC(CF)NC(N)=O;DNEOVWKMLIQQCU-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67026;MM67026;CNC(C#N)C=NNC=O;WILXRTGVTZFUTF-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67027;MM67027;CC#CC(OC)OC(N)=O;TUDRRMCYATZOIO-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67028;MM67028;C=NOC(C)(C)C(O)C=O;QSGNQDXAWGMNRX-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67029;MM67029;C=C(OCC)C(=O)NNC;XRCQXHIWVMQTBU-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67030;MM67030;CC#CC(C=O)OC(N)=O;MMVHWGZRWBRDML-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67031;MM67031;C#CC(=C)C(C)N;AZGQYJOVEXSTBZ-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67032;MM67032;C#CC(C#CC)NC(N)=O;APPZFSBTYMCVEB-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67033;MM67033;C#CC(C)(O)CON=C;LHDMCKUEENYHKN-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67034;MM67034;CC(C)(C#CCO)C=NN;RFUPIVMTPGXYSB-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67035;MM67035;C=CC(CN)OC;ZLJWCPNSCXWGRR-UHFFFAOYSA-N;101.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67036;MM67036;C#CCOCCN;MZFRRBQTCNHISM-UHFFFAOYSA-N;99.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67037;MM67037;CNCC(C)OC=O;PWWLKRQVFPZBEO-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67038;MM67038;CCC(N)(C=CCF)CO;LEDOTPPCFHIUQI-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67039;MM67039;CCC(N)(CN)CF;HAWFDYNRNXUOMY-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67040;MM67040;CN(CCC#N)C(=N)NO;WMXGFEXSNIEAHW-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67041;MM67041;CC(N)C=C(CF)C(C)O;PVDNTVXVXXEMDM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67042;MM67042;C#CC(CC)C(O)C=NN;BEHWFDHVLMRUTI-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67043;MM67043;C#CCC(N)C(C)O;QVJSQAUXPYBWJA-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67044;MM67044;C#CC(=N)N(O)C=NOC;SYYKVUOXZSDDLI-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67045;MM67045;CC=NNCC(C)(F)CO;RGRQFLLFCBESAB-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67046;MM67046;COC(C)OCCN;TVLSZJYUQNXJMN-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67047;MM67047;C=NNCC#CCO;AJLOKHMIEYDGNK-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67048;MM67048;C#CCC=CC(CO)=NN;JUHQDWTZCCWRLT-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67049;MM67049;C=CC(N)C(C)C(O)CC;CWSHDXJWJWLSHN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67050;MM67050;C#CC(CN)C(C)(C)CO;XQDUQRULFKGCET-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67051;MM67051;CCCNN=C(C)CO;FCMRZMAJTVQCNH-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67052;MM67052;CNCC=C(C)C=O;USMSVIFTTIAVAN-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67053;MM67053;CC#CCOCCN;DRSMJIZRQCMICM-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67054;MM67054;CC(=N)NC(=N)C(C)F;KKTJMOVAZFFQHZ-UHFFFAOYSA-N;131.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67055;MM67055;CNC(=N)OCCO;WTFYFIMSHFVWOJ-UHFFFAOYSA-N;118.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67056;MM67056;CCC(C)NN=C(C)CO;IIRSTVVBZZSTRS-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67057;MM67057;C=C(C)CN(C)CCN;JJUZTHOHCOFTOE-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67058;MM67058;CC(C)CC(CC=O)=NO;LGVZYPNDMRIQGR-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67059;MM67059;CC(C)CC(=NN)NC=O;UEFJUOIAMCSIHA-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67060;MM67060;CC(C)CC(=NO)NC=O;MDFZLLUFWWXQMT-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67061;MM67061;CCC(F)C(C)(N)CN;NMZBBXUYHNISNI-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67062;MM67062;C=C(CO)C(N)CC;SNKWKVDZMJYURV-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67063;MM67063;C=CCC(=CC(C)N)CO;RSPKDHVXCTWVSL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67064;MM67064;C=NNC(C)(CO)CF;JUGGIHPUQXJYJC-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67065;MM67065;C#CC(C)(C=NN)CO;QJCWASMPOWBEEF-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67066;MM67066;CC(N)C=C(CO)CCF;RCJVHXMCQXXYJF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67067;MM67067;C=COC(CC(C)O)=NO;PPDAIKSKPGDACL-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67068;MM67068;C=CC(N)C(C)C(C)O;WQIWSBJYABBUFU-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67069;MM67069;CC(=NCCO)N(C)N;SIKKJGVJUMAEPY-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67070;MM67070;CC=CC(N)C(C)CO;QJMHRQMLWXCCQG-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67071;MM67071;CC=NNC(CO)CCF;UTXSWJSEDHGYFN-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67072;MM67072;CN=C(NC=O)OC(C)C;ILFCVEQPBBUKKH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67073;MM67073;CC(C)OC(=NN)NC=O;JPHRJAQFZXTAEF-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67074;MM67074;NCC=C(F)C=CCO;FTOOPUCSGGZSCH-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67075;MM67075;C=NNC(=NO)OC(C)C;DYLBEFABRHAABO-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67076;MM67076;COC(C)(C)OCCN;COSKGPORCUCPLK-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67077;MM67077;C=C(C)C(CC(C)O)NC;SSLXNYROGLTORV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67078;MM67078;CCCC(N)(CN)CF;SGJSZYIAZDPHFR-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67079;MM67079;CC(C=O)ON=CNO;BDEXOTCWYHEUNX-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67080;MM67080;CC(=O)C(C)ON=CNO;MQEHSWGDYNYXSF-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67081;MM67081;CCC(C=O)ON=CNO;UJTSETNBHZGDLI-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67082;MM67082;CC(O)CC(C=NN)CF;SIGKVGNWWATRGM-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67083;MM67083;CC(F)C(=O)CN=CN;KPWKUOZNJPAZKC-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67084;MM67084;CCNC(C)(CN)CF;LOEBPILKMLRILL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67085;MM67085;C=C(CN)C(C)(F)CCO;YCVFSCQAKXMHCQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67086;MM67086;C=C(C)C(N)CCO;FKEAQJIKLSLOTQ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67087;MM67087;C#CC(N)(CC)CCF;XQYDGZVAIAUVOI-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67088;MM67088;C#CCC(CC(C)O)=NO;YNHSMNIQGFLXLU-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67089;MM67089;C=CC(N)CN(C)CC;SBOBSSMBHKSFAJ-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67090;MM67090;CC(C)OCOCCN;YNBFXPFACXEAEL-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67091;MM67091;CC(=NNC(=N)N)N(C)N;KNEDBTSNSMISMM-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67092;MM67092;C=C(CO)CC(=CF)CN;FAZHRSFNVAIGDE-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67093;MM67093;CC(C)ON=CCCO;REZQGSWLTXXZQP-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67094;MM67094;CCOC(C)OCCN;KXPIVODJGNYMKN-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67095;MM67095;C=COC(C)OCCN;RGEIZAFWFFBKFV-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67096;MM67096;CC(=NCCF)N(C)N;FABFQRZXGQBZRT-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67097;MM67097;CC=NNC(=N)N(C)N;UKAWSVPDWVYTOA-UHFFFAOYSA-N;129.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67098;MM67098;CCN(C)CCC=NN;SOOSWTYFXMREIS-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67099;MM67099;C#CC(C)NN=CNN=C;DPBRLDPQBJWNDW-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67100;MM67100;CCN(N)C(=NN)NC=N;BJULSTVUMLJTKN-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67101;MM67101;C=NNC(N)=CC(C)=O;LKVUMRSEDGYYJI-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67102;MM67102;N=CNC(=NN)NC=N;PWZKJQRPKOBQFT-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67103;MM67103;CNC(CC(=O)O)=NOC;NOGNKLYRCQPJKF-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67104;MM67104;CCOC(CC(=O)O)=NO;HBOVNINYBJOKIS-UHFFFAOYSA-N;147.13;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67105;MM67105;CC#CCNC(=NN)NN;BTOUPESVVOVUIM-UHFFFAOYSA-N;141.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67106;MM67106;CNCC#CC(C)NC;ZQJYKPYYWRVWKG-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67107;MM67107;COCC(=CF)NC(N)=O;XIAKNJJTVMLKEO-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67108;MM67108;C=CC(C=C)(CN)NC;PWMPXWYLGGKDLX-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67109;MM67109;C#CC(=O)C=CC(C)NC;PHLGYNBWLQLKHD-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67110;MM67110;CN=C(CCF)NC(C)=O;JRPDLJUFBRLGLR-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67111;MM67111;C=NNC(=CC=O)NC;SYUVJGJPYISPNS-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67112;MM67112;C=CC(CN)N(C)CC;RSRVYJUZBGYTRS-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67113;MM67113;CCN(N=CC=O)C(=N)N;RVMCOYCAJPHFSA-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67114;MM67114;CN=C(C)NNC(=N)C#N;SBBWZHLTHFTPBW-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67115;MM67115;C=NNC(N)=C(C)C=O;WXPZWPORHQFLSO-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67116;MM67116;C=NNCC(=C)C(=O)C=O;OXBOSJGHDUNQIX-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67117;MM67117;N=CN(C=N)CC(=N)NN;FQYMSJPHEOLQBM-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67118;MM67118;CNC(C)C=CC(C)=O;PMAPGPDXXIJPBY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67119;MM67119;C#CC(=N)NC(=O)N(C)C;WWGXHLVCLGAQAS-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67120;MM67120;CONC(=NO)NC(N)=O;AGCZLCOHMOHFEJ-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67121;MM67121;C=CC(NC)C(=C)CN;JDMNVPYQZOOKMZ-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67122;MM67122;C=CC(OC)C(=N)NN;XMBWHYDLBTVVTM-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67123;MM67123;CCOC(=NC)NC(C)=O;NHPIGJGSDIDCAH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67124;MM67124;CNN=CCC=NNC=O;FFYUBYFVANRETB-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67125;MM67125;N#CC=NNC=NCC=O;IQHZCYMKFCWOKH-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67126;MM67126;C=CC(=O)C(O)CON=C;DSGCCSKKLXQNHN-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67127;MM67127;CCC(OC)OCCN;FHXVNBCCGYHZFW-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67128;MM67128;CC(C#N)NC(=N)C=CN;DOACJULRARWDKA-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67129;MM67129;CC(F)=C(C=NO)CN;NVLJTEZRCPMUGY-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67130;MM67130;C=CNC(CC(=O)O)=NO;MASVBSPSSMZGNL-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16519;MM16519;C=COC(CC(=O)O)=NN;ONNQARWXIUXHOM-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16457;MM16457;C=COC(CC(=O)O)=NO;GYQJJCLQBPFACB-UHFFFAOYSA-N;145.11;0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67131;MM67131;C#CC(C#C)OCCN;DUXNBIWVZRPVJP-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67132;MM67132;CC=C(CC#N)NC(N)=O;BNZXROYACFPJPW-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67133;MM67133;CCC(C#CCCN)=NO;FAAKGSLYTBDCAV-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67134;MM67134;CC=C(CN)CC(C)=NO;WXPJSTXUQUVIMH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67135;MM67135;CC=CNC(=O)NNC;LOWULWHOMIPPAI-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67136;MM67136;CN=C(CC#N)NC(C)=O;DGHZMMVYBUPINJ-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67137;MM67137;C=CCC(=NO)NC(C)=O;WYKDIJRHQNJEDE-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67138;MM67138;CN(N)C(=O)NC(=N)N;OFLCJGPBRKZCFF-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67139;MM67139;CN=C(CC#N)NC(N)=O;FOUDUOBPJISPIZ-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67140;MM67140;N#CCC(=NO)NC(N)=O;CKNHFEXXDSGCAI-UHFFFAOYSA-N;142.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67141;MM67141;CCC=CNC(=O)NNC;QWESVGSOXXFWEE-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67142;MM67142;CC(C=NO)=CCN;SMFSVBWLCSIFSZ-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67143;MM67143;CC=C(NC=O)NC(C)=O;BZZICGPXUPWXDV-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67144;MM67144;C#CC(O)C(=C)C=NNC;YJBZVWQTPJYBTR-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67145;MM67145;C#CC(C)(O)C=CC(C)N;TTYCDNPATZNMFF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67146;MM67146;CNCCC(C#N)=CF;WHKCYJUMEVOFLA-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67147;MM67147;CC#CC(O)C=CC(C)N;UAPVNUOPCJFRAY-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67148;MM67148;CC(N)C=CC(O)C(C)F;MNDMERIJCPRLHU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67149;MM67149;CCOCC(C)(O)C=NN;HABLZRUPCBNSFJ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67150;MM67150;CNCC(O)C(C)F;ZLJCNVKCLRDYAM-UHFFFAOYSA-N;121.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67151;MM67151;CCOCC(O)(CC)CN;YEJSMEACQNGRBZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67152;MM67152;C=COC(C)C(C)(O)CN;HCZZNHSRBQJEMY-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67153;MM67153;C#CC(C)(C)C(O)C=NN;MOBLMIHTFYCFFS-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67154;MM67154;NC(=O)NC(=NO)NC=O;DDINEKFUYUJKAA-UHFFFAOYSA-N;146.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67155;MM67155;C=COCCC(O)C=NN;GVNPPZRLTJEORK-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67156;MM67156;C#CCN(N=C)C(=N)CO;NWCLXKSIRYFFFG-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67157;MM67157;C=CCC(O)(CN)C(=C)C;RWDYHARAFYWTEX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67158;MM67158;CNCC(C)=CNC(C)=O;ARHAFVKARSYZET-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67159;MM67159;CC=NNCC#CCO;HWMGWMXKEFFNLW-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67160;MM67160;C=NNC(=NO)NC(C)=O;RBJBPOWNUJJPEC-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67161;MM67161;CC(C)C(=N)NC(=N)CO;CMDRHEVYZCYEJL-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67162;MM67162;C=C(N=C(C)NN)C(C)O;WWOCCXFKQZDYJQ-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67163;MM67163;CC(C)(CCF)C(O)CN;AOPMBGZPJFUAKV-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67164;MM67164;C#CC(=C)C(C)C(O)CN;FXSLBTZLGACXDX-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67165;MM67165;C#CCN=C(OC)N(C)O;KZEYAJCEFZATBL-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67166;MM67166;C=NOCCOC(=O)NC;NTYDJQSLLBMVHS-UHFFFAOYSA-N;146.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67167;MM67167;C#CC=C(CO)CON=C;MPGPIHZFFCFYFE-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67168;MM67168;CC=CC(=O)C(C#N)NC;UYNYUASCIHIMKL-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67169;MM67169;C=NOC(=NN)NC(C)=O;UAXMNEUJTFOXFG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67170;MM67170;N#CCC(=NO)OC(N)=O;IKUKORVMBKENOT-UHFFFAOYSA-N;143.1;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67171;MM67171;COC(C=CCF)CN;DDWHEQUXMINZIJ-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67172;MM67172;CCC(C=O)=CCNC;JXHYBUYDODVNJJ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67173;MM67173;C=C(C)C(C)C(O)CN;RWUMQWIHMOZNTH-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67174;MM67174;C=CNC(=NO)OC(C)=O;ILUGFCBWXNGASN-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67175;MM67175;CCCOCOCCN;CKVNPCNSXLAGQW-UHFFFAOYSA-N;133.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67176;MM67176;C=NOC(C)C(N)=O;DRQOCEWIYLSTIU-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67177;MM67177;C=NN(CC)CC(=O)C=O;LHLUIBDNPOXWJK-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67178;MM67178;CC=NOCOCCN;IICMRTUSXIRPJX-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67179;MM67179;C=NNC=CC(N)=O;RYSSFSXBJFWXNA-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67180;MM67180;C=NNC(CC#N)=NC;LBOOIGFIIUSBKW-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67181;MM67181;NCCOCC#CCF;GZWBBEZAGXZLSJ-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67182;MM67182;C#CC(F)C(=NN)N(C)C;ZLRIGYWOSJFECL-UHFFFAOYSA-N;143.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67183;MM67183;C=CC(C)C(O)CN;FBYMCXNYDALSCX-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67184;MM67184;C=CC(O)C=CC(C)N;FFTLBABMKVUJTQ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67185;MM67185;CC=CC(C)C(O)CN;MLLQLDFCSFGMOT-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67186;MM67186;COC=CC(C)C(O)CN;WCEIMOIBXVRGBG-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67187;MM67187;C#CC=CC(C)C(O)CN;MVYOSOQKZPAKCI-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67188;MM67188;CCNCC#CCNC;XNDVFRNRFGMOSP-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67189;MM67189;C=C(C)C(C)(NC)C(C)O;UEUICHDGRPMZFY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67190;MM67190;CC=C(C=NO)CC(N)=O;NFVRFYKQKYHMPD-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67191;MM67191;CNC(C)(C)C=C(F)CN;CVWHYCQIRFOLLE-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67192;MM67192;C=CC(C)(N)C(C)O;WDMXVJYJCCYUBF-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67193;MM67193;CCC(NC)C(CO)OC;QIODYIKMENXKCZ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67194;MM67194;CC=CC(CC(N)=O)=NO;NOIGUEQNHJTHNM-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67195;MM67195;CC=CC(CC(=O)O)=NN;SXSVTQFKGHYXAX-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67196;MM67196;NC(=O)NC(C=NO)=CF;FZMSAJXGSLTVKR-UHFFFAOYSA-N;147.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67197;MM67197;C=CC(CO)(NC)C(C)C;VZDDBCKTYMNPEL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67198;MM67198;C=CC(N)(CC)CO;IRWYIJYLKISHGN-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67199;MM67199;CNN=CN(C)C(=N)C=O;ZFVCZYIFSOFTSR-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67200;MM67200;NN=CC(=NO)NC(N)=O;NSZNPNZAQCNLBL-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67201;MM67201;CNC(C)(C=C(F)F)CN;VAYJSHJBAKKNAB-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67202;MM67202;CNN=CC(C=O)COC;JOXYKZUMZYEJCT-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67203;MM67203;C#CCN(C=NN)OC;LDTKECZNSZHWCS-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67204;MM67204;C=C(C)OC(C=NO)=NN;MNFWUXIUYQULTI-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67205;MM67205;CC(=O)OC(=CNO)N=O;BKOUKNYETRDEAW-UHFFFAOYSA-N;146.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67206;MM67206;CON=C(C=NN)CF;LUQDYXPMPBDAEV-UHFFFAOYSA-N;133.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67207;MM67207;C#CCN(C)N=CNN=C;BDLCTFCCFWQBKK-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67208;MM67208;CON=CNOC;SEDFEEQOMDKFNE-UHFFFAOYSA-N;104.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67209;MM67209;CC#CC(=NN)NC(C)=O;CKPHETONWRYKMH-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67210;MM67210;CC#CC(=NO)NC(C)=O;KBQHZFLSJGCQHR-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67211;MM67211;CC#CC(=NN)NC(N)=O;CAIGSAMGIPTOKD-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67212;MM67212;CC#CC(=NO)NC(N)=O;XDNXVTOALCAYMY-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67213;MM67213;CC#CC(=N)NC(N)=O;IBGHJRIBNOBDQN-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67214;MM67214;CC#CC(=NN)OC(N)=O;XMSUVEGRMHZQBA-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67215;MM67215;CC#CC(=NO)OC(N)=O;SPAVQFWTXGZCNT-UHFFFAOYSA-N;142.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67216;MM67216;C#CC(CO)NC(C)=NC;HXUNNXVWNACRSB-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67217;MM67217;CC(N)C=CC(O)CCF;REZUUQDUPGIRET-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67218;MM67218;CNCC=CC#CC(N)=O;SSYMXMMMNKJGII-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67219;MM67219;COC(=CCO)CC(C)O;PULASIWARNTILG-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67220;MM67220;C=COC(C)(C)OCCN;FIUIFGIRCVHHQE-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67221;MM67221;CNNC(=O)NC(N)=O;QZDPOMBIRPNKFL-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67222;MM67222;CNC(CN)CO;QODAEAYGVSYWPM-UHFFFAOYSA-N;104.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67223;MM67223;CCNCC=COCCO;ODPOJTKYYWMYAU-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67224;MM67224;CC(=O)OC(C)OCCN;WYJFXKWKLJEITB-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67225;MM67225;CCN(C)C(C)CO;VDKVVJABFRJUOS-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67226;MM67226;C=CC(CO)=C(C)CNC;YERKYWFNIVOPBT-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67227;MM67227;C=C(CO)C(C)(C)CN;QOQDIVQIQPIUNL-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67228;MM67228;CN(O)C=NNCCCN;JJVNLUKPKBTUJV-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67229;MM67229;C=CC(N)(C=CF)CCF;XDAPIADLGVTZQO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67230;MM67230;CNNC(=O)NC(=O)NC;GEUUKCRSOUEBET-UHFFFAOYSA-N;146.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67231;MM67231;C=CC(NC)C(C)C(C)O;VVLIBRJQXCGQBL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67232;MM67232;C#CC(CN)C(C)C(C)O;GZPBWONPFKLFRF-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67233;MM67233;CC(C)OC(=CCO)CO;JFLFLAIXGGMOMN-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67234;MM67234;CC(N)C=CC(C)O;NVZIRPALMZOFMQ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67235;MM67235;C=C(C)C(N)CN(C)CC;AFGSKCQNMZFMQR-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67236;MM67236;CON=C(CO)OC(C)C;TZNHACJLTPALOJ-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67237;MM67237;C=CC(CO)C(=C)CNC;QNCIZVYEZMDRCC-UHFFFAOYSA-N;141.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67238;MM67238;CC(=O)NC(=N)CCF;FNNPOXBPYZLQJN-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67239;MM67239;C=CC(N)C(C)CO;NSWODWNTXVCPRE-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67240;MM67240;CNNC(=O)NC=O;XRMGUCDKLFGODL-UHFFFAOYSA-N;117.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67241;MM67241;COC(C)=CC(=N)N(C)N;WDHJQXVUOPPJOD-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67242;MM67242;CC(=O)NC=N;QJZQDDFWHZTWRQ-UHFFFAOYSA-N;86.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67243;MM67243;COC(C)CN(C)CCN;BMBMIBBCCTVLSH-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67244;MM67244;C=NNC(=O)CC=NNC;KDKCVVOHIYOARH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67245;MM67245;CNCC(C)OC(=O)CF;KGWUXVVBUQFKAO-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67246;MM67246;C=C(CC)CN(C)CCN;URNWSYBKJGBOHM-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67247;MM67247;C=NNC(N)=CC(=O)NN;ITFXNEWERDADKR-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67248;MM67248;C=C(C)CN(C=N)C(C)=N;NYJOCKJDZKZAAL-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67249;MM67249;C#CCC(C)NNC(C)=O;ZMSGGQPVFRXBNO-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67250;MM67250;CCCC(O)(C=NN)CO;SKZBLQQILTXLOA-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67251;MM67251;C#CCNNC(=N)CC#C;QMIKBUHSDGPTGY-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67252;MM67252;CC(O)CC(=CC=O)CO;DYERDCLPKVTWLX-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67253;MM67253;CNC(=CC=O)CC(C)O;LCOVFXDUJRLZID-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67254;MM67254;C=NN=C(CO)CC(C)O;JHFYXPJGEYIDAH-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67255;MM67255;C=C(CNC)C(N)C#CC;ARVOLFOOZORVKC-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67256;MM67256;C=C(N=C(C)N)C(=O)NC;WTHKIOWLLDMTCJ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67257;MM67257;CC(C)N=C(CO)NC=O;HEWBSCCTDMYZMJ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67258;MM67258;CC(O)CC(F)=CCN;HFIHIVAOWBBMQT-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67259;MM67259;CC(CN)=C(F)CC(C)O;BWDCZOLKPALBAY-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67260;MM67260;C=C(CNC)C(C)C(C)=O;PEIPQPHQRSVQSN-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67261;MM67261;COC(C=CCO)=CCN;SDDLVBWTYAZPTI-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67262;MM67262;CC(N)C=CCO;KFXFGKXIIUPLAT-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67263;MM67263;CC(CN)=C(F)CCO;UAKNINWGWLTXCN-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67264;MM67264;COC(C)C(C)(O)C=NN;CKCJEOOFDPBTGF-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67265;MM67265;C#CC(=C)C(O)CON=C;RFBLXZJTKIOKQV-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67266;MM67266;C#CCC(O)(C=NN)CC;JXHYBLORQMOSLN-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67267;MM67267;CNN=CC(C)C#CCO;VHUMJZGBDUAXSQ-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67268;MM67268;C=C(C)C(F)CNCCN;COROPMVEYRIMCS-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67269;MM67269;C=NOC(CC)C(=O)CO;XMWPHBHZRWIVJC-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67270;MM67270;CNCC#CC(N)C(C)C;BGOZQKKOVJPGEU-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67271;MM67271;CCCCC(N)(CN)CF;FHPGKDLKXVXKEK-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67272;MM67272;NCC(N)(CF)CCCF;YNGLMGXHRJYKRE-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67273;MM67273;C=C(CC(O)C=NN)OC;BFSGIZHQSRKIBU-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67274;MM67274;C=CC(C)(OC)OCCN;AZOGMFCFNIMGEH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67275;MM67275;C=CC(C)(CN)CCO;QSPVEXNFHCZWQV-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67276;MM67276;CC(=NN)C(C)(C)O;FEUQAWMHGNWTMC-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67277;MM67277;CNN=CC(O)CCOC;IESRACYKHGQBRC-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67278;MM67278;CC(CN)=C(F)CCCO;BDBJDMTWPOCHID-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67279;MM67279;CNC(=N)NN=CC=NN;DXBPXPQGYBMTFY-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67280;MM67280;C#CC(C)(CF)OCCN;YJNRDUXPAMYDLA-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67281;MM67281;C#CC=C(CO)CC(C)O;RQERVQXNODMVHM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67282;MM67282;C#CC(C)(OC)OCCN;GCBBADAKHIZODX-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67283;MM67283;C#CC(C)(C#C)OCCN;FKYUKUXXRDROBX-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67284;MM67284;COC=CCC(O)C=NN;WSEXCEQKJAKEQN-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67285;MM67285;CON=CC=CNC=O;WATGSTBTNNAVAH-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67286;MM67286;COCC(=O)CN=CN;TZOIKEJMVRXZPC-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67287;MM67287;O=CC(CO)ON=CNO;GDEPMRMJKHHKGW-UHFFFAOYSA-N;148.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67288;MM67288;C=NN=C(CO)CC=NN;GTIQQVPIWBDNQN-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67289;MM67289;CC(C)C(CO)=NN;VLXXLHVIWBOMCP-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67290;MM67290;C#CCOC(C)OCCN;RBROOPPPLXFNOC-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67291;MM67291;CNN=C(OC)N(C)O;PMEYGXLCZZBGDU-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67292;MM67292;CNN=CN(O)C(C)C=O;QVIYMFFYWFYWLA-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67293;MM67293;CC=NOC(C)OCCN;CDIKPVVPFRPWSS-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67294;MM67294;C#CCN(O)C=NNCC;FNMDXRSTFDIHOF-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67295;MM67295;CNC(C#N)C(=O)C=CF;GKSZRGPVWSSDTE-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67296;MM67296;CCN(C)C(=O)C=CCN;FBFQUABMWWOLKL-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67297;MM67297;CC(O)CC(C#N)=CC#N;IVMKLBNUXIDBRY-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67298;MM67298;C#CC(=O)OCOCCN;OVAVFCVNCSDUOC-UHFFFAOYSA-N;143.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67299;MM67299;COC(=O)C#CCN=CN;IHFJLEVZYYQEFE-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67300;MM67300;C=C(CN)C(C=CC)NC;NKACAKUOFXNNDY-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67301;MM67301;CCN(CCN)CCOC;FBQIOVYVRUXKCT-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67302;MM67302;CC=NOCCO;IVGLGVJCVDBHBJ-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67303;MM67303;C#CC(C=NNC)CO;WKWDUJOJBIACHS-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67304;MM67304;COCC=NNC(C)CO;YCSABSDOIJUMSB-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67305;MM67305;C#CC(ON=C)C(C)CO;MAZWXOGQKIPPGH-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67306;MM67306;CNN=C(N)C(F)C=O;UMNHZIMZAGZXAI-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67307;MM67307;CC(C=NN)OC=CCO;UBXARKNFJYTQBU-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67308;MM67308;CON=CCC(C)O;FKPUKKWRPRTLDT-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67309;MM67309;CNC(CCF)CCC#N;OHJZQQQGOSXBHJ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67310;MM67310;CN=C(C#N)NC=CCO;GTZORTKPJVJEAD-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67311;MM67311;C=NOC(CC)OCCN;XDHNJLVUORCPCN-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67312;MM67312;C#CCCC(C#N)NC=N;RWAIRBDHBPIFAV-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67313;MM67313;C#CC(=NC(C)C)NC=O;SBCAAWJXOZESMJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67314;MM67314;C#CC(OCC)OCCN;WMOJADNTQVWRIW-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67315;MM67315;C#CC(=NN(C)C)NC=O;CNYHCUBXAJTBHZ-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67316;MM67316;CCOC(=O)CC=NN;NBXNJSADMZDYLU-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67317;MM67317;C#CC(CC=C)OCCN;PMVIOXXLTYMLEL-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67318;MM67318;CC(=O)CC(=CCF)CO;YILZXBYCOAJDLE-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67319;MM67319;CC(=O)CC(=CCO)CF;SRGMTAORYSTJTE-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67320;MM67320;COC(C=NN)CCO;XQMNESQJEUNZOP-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67321;MM67321;CCC=C(CF)CC(=O)O;YSAWEAKIBQFILR-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67322;MM67322;C=COC(C=NN)CCO;QTLDVIDXOSMPML-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67323;MM67323;C=NNC(N)=CC(=O)NC;VQKPDUBHVJRIGC-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67324;MM67324;COC=C(CO)CC(C)=O;VBEYYFPFSUBTHY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67325;MM67325;CC=CC(OC)OCCN;UXIRDGBJLLWUCD-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67326;MM67326;COC=C(CO)CC(=O)O;QTPIXDMJGZXWDM-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67327;MM67327;CC#CC(OC)OCCN;WLERHKNBBCYRNC-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67328;MM67328;CC(N)C=CC(C)C(N)=O;MLJPZWFRDPZVJD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67329;MM67329;C=NNC(=N)N(N)CC;TUJCQJJQVMWEQQ-UHFFFAOYSA-N;129.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67330;MM67330;NCC(=CF)CCCO;GLKHIVLMLIWDNX-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67331;MM67331;C=CCC(C)(N)CC(N)=O;AIDCHVBBIIBBKF-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67332;MM67332;C#CC(C=O)CNC(C)C;NOKQIDKDKSCJFT-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67333;MM67333;CC(CO)CC(=CF)CN;PUXXDTLDGPNOSR-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67334;MM67334;CC(=O)NC(=CCO)CF;SWBHSFMXIODCHD-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67335;MM67335;CNCC(CC=O)=C(C)C;UDLKZCZCNSKNLY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67336;MM67336;CCC=C(CO)NC(N)=O;OSFRTEFNSUEBAM-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67337;MM67337;C=NNC(=CC(N)=O)NC;IYWUUPPNNBGTOD-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67338;MM67338;CCC(=COC)NC(N)=O;GEVYVGWCQCCXJA-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67339;MM67339;COCCC(=CF)NC=N;JKIFMMJQGAWKKV-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67340;MM67340;COC=C(NC(C)=O)OC;BCUWSYFHRRPGDM-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67341;MM67341;COC=C(NC(N)=O)OC;YSPFTQVBTQMPLC-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67342;MM67342;CCN=C(CF)NC(N)=O;SIAWFGISBWVVPT-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67343;MM67343;CC(O)CCC(=CF)CN;NGOBKWNLNBVMBL-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67344;MM67344;C=C(CNC)C(C)C=O;ARLUQLXMRYFKEC-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67345;MM67345;CCC(=NOC)NC(N)=O;UKLHPQSJJWBBSH-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67346;MM67346;C#CCCC(=NNC)NC;GPVUZKFIZJYVQS-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67347;MM67347;CN(N)C(=NN)NC=N;UNRGYDBPGUTOOA-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67348;MM67348;C=NOC(C=O)CCOC;CSXYLFPSWBOCDQ-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67349;MM67349;C#CC(=O)C#CCCNC;RKTPGAAZOVDXGS-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67350;MM67350;CNN=CN=CNC(C)=N;VYSVQSQZMAMHTI-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67351;MM67351;CNN=C(CC(C)N)OC;JQQNRBNSYQTRHU-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67352;MM67352;C#CC(=NN=C)NC(=N)N;IUFJHUNWULHLIL-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67353;MM67353;CNCCC(=O)C#CCF;CWTZXKARPHDICP-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67354;MM67354;CNCC(C)=C(C)C(C)=O;PYQXUFSCMMYIKG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67355;MM67355;CN=C(CCC#N)NC=N;NPBDSPCPGOKQNO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67356;MM67356;CCN=C(NC(C)=O)OC;LEYUOENPNXULAW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67357;MM67357;CCN=C(NC(N)=O)OC;JLCHSZAMEILDBF-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67358;MM67358;CN(C=N)NC(N)=CC#N;ZERYTYMIBHYAEA-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67359;MM67359;CN=C(NN)NC(C)=NO;UTRPYLMCHUNMJI-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67360;MM67360;CNN=C(NC(C)=O)OC;SJKOAOSKLFSVSV-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67361;MM67361;CC(=O)C(C)(C#N)N(C)C;NYBZEALPYMXDCL-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67362;MM67362;CNN=C(NC(N)=O)OC;FRJCKDAHKITGMI-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67363;MM67363;CON=C(NC(C)=O)OC;VTZWFPRGOCLOEQ-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67364;MM67364;CNCC=C(C=O)CC#N;ZYBKXDIXEAEWGY-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67365;MM67365;CC(=O)OC(=CCO)CO;GYOSNYMHOYMKHI-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67366;MM67366;CNN=C(C)NN=COC;MQXLDYQLHVXMQL-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67367;MM67367;CNN=C(CO)OC(C)=O;VVZUVZHEGQXQFB-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67368;MM67368;C=NNC(=O)CC(C)(C)N;JNERFUVVEGGJRE-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67369;MM67369;C#CC(C#N)CCNCC;OFALQHVQZWSJPQ-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67370;MM67370;C=C(C)OC(CO)=NOC;HJDXBQOVVQRFLK-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67371;MM67371;CCCNC(CN)C(C)F;HJZFPCLAEIXEAC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67372;MM67372;C=NOC(C)C=O;KHOVZCNORXRCAQ-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67373;MM67373;C#CC(O)C(C#C)CNC;YHHHNMZVELDXNU-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67374;MM67374;CC(C)CNCC(O)C=O;ULYZXGJTOCTIGM-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67375;MM67375;C=C(CNC)CC(=O)C#N;KLFJSDHKYOQDSB-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67376;MM67376;C=NOC(=NN)NC(=C)C;VKAUYYAYGIAGPK-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67377;MM67377;C=C(C#CCO)C(=C)CN;UIXZVAJMMRFVEF-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67378;MM67378;C=NNC=NOC(C)C;ONPARLXBRVDYOM-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67379;MM67379;C=NNC(=N)C(=C)C#N;YBRXQGPRVNOVHS-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67380;MM67380;CCC(N)C(C)(O)CO;OLBLXNYMIOLGEU-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67381;MM67381;CNN=C(OC)OC(N)=O;IMRFLLAXMCIFIF-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67382;MM67382;CC(=O)CC(=CC#N)CO;SVOSEFINSINAJI-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67383;MM67383;C=CC=C(CO)CC(N)=O;AYRSGOOBCUTELE-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67384;MM67384;N#CC=C(CF)CC(N)=O;XLBSKXDFRGIXFO-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16233;MM16233;N#CC=C(CF)CC(=O)O;VZVBAMHDXNNASF-UHFFFAOYSA-N;143.12;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16157;MM16157;CNC(=CC#N)CC(=O)O;PAPWSWPLBZQDQY-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15817;MM15817;COC(=CC=O)CC(C)=O;ODKWLTWQWXYEHP-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15809;MM15809;COC(=CC#N)CC(C)=O;SATVFCVQIINFDB-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67385;MM67385;C=NN=C(CO)CC(C)=O;GPWBWSGIUFQQID-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67386;MM67386;C=NNC(C)C(N)=CC#N;RZTATVVHBVWTOR-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67387;MM67387;C=NN=C(CO)CC(N)=O;LQDISWXCKIFEDV-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67388;MM67388;C=NN=C(CC)CC(=O)O;WFZHVOXODSVFAA-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67389;MM67389;CCC(=NC=NC)NC=O;ZDDNTUZPWCURCA-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67390;MM67390;CC(=O)NC(=CC=O)CO;KTCVMGWPVVQVPT-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67391;MM67391;C#CC(O)CC(C#C)CN;OWIDNPUQCKOJTR-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67392;MM67392;CCN=CN=C(C)NC=O;SQZAQDCHEHCVIH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67393;MM67393;N#CC=C(CO)NC(N)=O;DBVJYEBEWZVOTL-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67394;MM67394;CNNC(=O)N(C)CC#N;RSFGBIOGYNQFLN-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67395;MM67395;CNC(=CC=O)NC(C)=O;UGOXGCNNOQCMFC-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67396;MM67396;CCC(O)(CN)C(C)=CF;GKMPXFMSNCBALB-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67397;MM67397;C#CC(OCCN)C(C)F;VAPKXDTTZADTOD-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67398;MM67398;C#CC(C#C)C(C)(O)CN;BPZJLWPIFXOUII-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67399;MM67399;CNCC=C(C=O)C(C)F;FKUTYHBANLWUBP-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67400;MM67400;CNCCC(C#N)=C(C)F;LFZQHEIQEMFYAS-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67401;MM67401;C=CC=C(NC(N)=O)OC;ABBQZMFMZZXYAT-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67402;MM67402;COC(=CC=O)NC(N)=O;COIUIXXBKQEOPF-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67403;MM67403;COC(=CC#N)NC(N)=O;DKWMBRKGDMUYBB-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67404;MM67404;N=CN=C(CF)NC(N)=O;ZUIQQKKYLBKLIH-UHFFFAOYSA-N;146.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67405;MM67405;C=C(C)C(O)(CN)CCC;HXQUEHHGIAYAJD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67406;MM67406;C=C(C)C(O)(CC)CN;FUJWQYNPGZCJRR-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67407;MM67407;C=NOCC(O)C#CC;WKJZUCPNQZJMJZ-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67408;MM67408;C=NN=C(CO)NC(C)=O;ODLMWXWGRISAHB-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67409;MM67409;CC=COCC(C)(O)CN;RGMUJGFQQOCOHZ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67410;MM67410;CCC(CF)CNNC=O;XNLRLILWDCQKBP-UHFFFAOYSA-N;148.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67411;MM67411;C=CC(O)(CN)CC=CF;MOGQBAISYJAKDT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67412;MM67412;C=CCC(O)(C=C)CN;NSXIEOROZBAYAM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67413;MM67413;C=C(C=CF)C(C)(O)CN;OFDUHKKYPTXLDC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67414;MM67414;C=C(C)C(=C)C(C)(O)CN;LYPBBXBLODUABZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67415;MM67415;CC=CN(N)C(=N)CO;FZZHQPNCQRDGBU-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67416;MM67416;NCC=COC(CO)CO;FZYPLDZPEMIHAQ-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67417;MM67417;CCN(CC)C(=O)NNC;XJSABUXYCUEBJD-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67418;MM67418;CC(C)(CO)OC=CCN;MWIQRYXXRAZYQE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67419;MM67419;C=CC(O)(C=C)C=NN;CIMQDGFRYHOXHA-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67420;MM67420;CC(C)(C)C(O)CN;PROOIQLVYNCTIE-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67421;MM67421;C=NN=C(NC(C)=O)OC;YBFINVQOAWTRTB-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67422;MM67422;CCCN(C)C(=O)NNC;FHEDWYLQJIKMSS-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67423;MM67423;CNC(=CC=O)OC(C)=O;OYTAVYNDBLTQKJ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67424;MM67424;CC=CCOC(CN)CN;UGEDETGIAMLSBI-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67425;MM67425;C=NN=C(CO)OC(C)=O;LQZRNHPPPKBUIX-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67426;MM67426;NN=CC(O)C=NN;PZRGRUZZACXTKI-UHFFFAOYSA-N;116.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67427;MM67427;C#CC(C)C(C)(O)C=NN;VIXBZTIJHCERIK-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67428;MM67428;CC=C(CO)OC=CCN;RSNIZPUNZPHIMO-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67429;MM67429;CC(C)(C=NN)C(O)CF;ZUCLTVIESNGHDO-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67430;MM67430;C#CC=C(CO)CC(C)=O;KEGQCGCBXHVYEH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16513;MM16513;C#CC=C(CO)CC(=O)O;BDQQNHSADSSAPR-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67431;MM67431;CC=C(CNCCN)OC;JVTRYQGEWXBKPC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67432;MM67432;C#CC=C(CC(N)=O)OC;OVCUKTPOZKWTCB-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67433;MM67433;C=CCCNCCOC=O;FXCIEOOIHBUJEX-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67434;MM67434;C#CC=C(CO)NC(C)=O;GBEWOUAXXHSEGX-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67435;MM67435;COC=COCOCCN;XMCNJBCXSKZZNI-UHFFFAOYSA-N;147.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67436;MM67436;C=CC=COCOCCN;YVYVHEGHHYPHSY-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67437;MM67437;CCC(CF)C(O)CN;IJJIJNFIEWVQLK-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67438;MM67438;C#CC=NOCOCCN;XDIUZCVKTBJGBS-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67439;MM67439;C#CC=C(NC(N)=O)OC;YTAOROPWNKUKRB-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67440;MM67440;CC(=O)CC(C=O)=CCO;IJNTZCXAWPDIER-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67441;MM67441;CCC=C(C=O)CC(N)=O;NLXBWVYBGHLYEB-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67442;MM67442;C=C(C)CC(C=O)=CNC;FFGFFDGJWFZPAA-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67443;MM67443;CNC=C(C=O)CC(C)=O;AQECTBANFYZDPG-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67444;MM67444;CCC(COC)C(O)CN;VUKZEWGASLVNHF-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67445;MM67445;C=C(F)CC(C=O)=CNC;SPUDZPJNDPWFJY-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15823;MM15823;COC=C(C=O)CC(C)=O;LMMIUIXKLKKVPF-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15812;MM15812;COC=C(C#N)CC(C)=O;QIXWRKOLDUFDCA-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67446;MM67446;C=NNC(=NNC)C(C)O;FXRYHYZZBUSPAT-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67447;MM67447;CNN=C(C#N)CC(N)=O;VTCUQEHCTZWPHP-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67448;MM67448;CON=C(C=O)CC(C)=O;STZXFZIBWIVOBJ-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67449;MM67449;CON=C(C#N)CC(N)=O;DOUCXRXNRHSVCV-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67450;MM67450;CON=C(C#N)CC(=O)O;RSGQKTFLOXCMEO-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67451;MM67451;CC(=O)NC(C#N)=CCF;QLFOALAXEDXOPN-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67452;MM67452;C#CC(=N)N(C)C(=O)NC;NDEIOIBDWIIXLW-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67453;MM67453;CCOCC(C)C(O)CN;SFGXBYDFECVTJQ-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67454;MM67454;CCC=C(C=O)NC(N)=O;JQYXPMDIKLLXQP-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67455;MM67455;N#CC(=CCO)NC(N)=O;PPPOAYOSNSIDPK-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67456;MM67456;CCN=CNNCC=CF;KWSCVSOGTLXNDN-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67457;MM67457;COC=C(C#N)NC(C)=O;FWTGBYYPMRCWEX-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67458;MM67458;C#CCC(C)C(O)CN;CVOPNVVABWXKSH-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67459;MM67459;C=CC(=COC)NC(N)=O;WBJQNQRWLGGOTM-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67460;MM67460;COC=C(C=O)NC(N)=O;JMIQAVHANFRCBK-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67461;MM67461;COC=C(C#N)NC(N)=O;OMHWEIMDYBPBSQ-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67462;MM67462;CC(C)(O)COC=CCN;ZMFZQUHDVAWUSL-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67463;MM67463;CCN=C(C#N)NC(N)=O;ITAICXCBRQEPNV-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67464;MM67464;C=NOCC(=O)CON=C;HGEWTCOFJCTRDG-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67465;MM67465;C=CC=NOCOCCO;CTEZDRMLFSHNJH-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67466;MM67466;C#CCC(=NN)C(C)CO;JICMPWPVHUJXRV-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67467;MM67467;COC(=N)N;RMAHPRNLQIRHIJ-UHFFFAOYSA-N;74.08;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67468;MM67468;C=CC(=NOC)NC(C)=O;IMVRABDFNWKKKN-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67469;MM67469;CON=C(C#N)NC(C)=O;JFIFMLCNBVCSDV-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67470;MM67470;CON=C(C#N)NC(N)=O;AWVMYKMUIQZGHU-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67471;MM67471;CC(=O)OC(C#N)=CCO;AGYHVZGERXEQRH-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67472;MM67472;CNC=C(C=O)OC(C)=O;VIQCYMSSVHYXQF-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67473;MM67473;CNC=C(C#N)OC(C)=O;LHSYGOZOJIPYSN-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67474;MM67474;CC(C(N)=O)N(C)CC#N;YAZIGJQPHWEQAE-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67475;MM67475;CNN=C(C#N)OC(N)=O;CDOHEGOFIUHCAD-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67476;MM67476;CON=C(C#N)OC(C)=O;YMSUQXRGZHSWTA-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67477;MM67477;COCCN;ASUDFOJKTJLAIK-UHFFFAOYSA-N;75.11;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67478;MM67478;CCOCCN;BPGIOCZAQDIBPI-UHFFFAOYSA-N;89.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67479;MM67479;CC(C)OCCN;USECIYVEPXUVHT-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15675;MM15675;C=CC=C(C#N)CC(C)=O;HALLBIWVJJZYQS-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15674;MM15674;CC(=O)CC(C#N)=CC#N;SQRQBAVFWXYHCL-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67480;MM67480;CC(F)CC(C)C(O)CN;QFGMQMPKQAGPEU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67481;MM67481;C=NNC=NNC=NN;OKPOSFRZTBVRJL-UHFFFAOYSA-N;128.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67482;MM67482;CC#CC(=O)NCCNC;NHMQQYFNIWCWAH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16208;MM16208;N#CC(=CC=O)CC(=O)O;AOIPGVMIZOETIO-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16200;MM16200;N#CC=C(C=O)CC(=O)O;OHOFQJSZEOXTIY-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16109;MM16109;N#CC=C(C#N)CC(=O)O;QWUPROFRGDJPMV-UHFFFAOYSA-N;136.11;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67483;MM67483;CC(C)C(O)CN;KYUPIHBUKDNZKE-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67484;MM67484;C=NNCCC(=O)C=O;HZELUUKNBGFOGB-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67485;MM67485;C=NN=C(C=O)CC(N)=O;SOLHQBKIJQSKCE-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67486;MM67486;C=NN=C(C#N)CC(N)=O;DVHKPXUNRJRJIV-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67487;MM67487;C=NN=C(C#N)CC(=O)O;AFZJDFCAIPYIHR-UHFFFAOYSA-N;139.11;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67488;MM67488;CC(CCCF)C(O)CN;ZVXWURUNMPGRKY-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67489;MM67489;C=CCC=NNC=NN;JUMMRIZRVBZPLX-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67490;MM67490;CN=C(C=O)NC=CC=O;XKDOIWJIHSIIGZ-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67491;MM67491;CC(=O)NC(C#N)=CC=O;RMLVXLQIDDHPJH-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67492;MM67492;CC(=O)NC(C=O)=CC#N;CEIHYBXFUUQKDU-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67493;MM67493;CCN(N)C=NC;JVIPSLKMIZUENK-UHFFFAOYSA-N;101.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67494;MM67494;COC(CN)CN;JMORBWICMBFECY-UHFFFAOYSA-N;104.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67495;MM67495;CCCOCCN;HMWXCSCBUXKXSA-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67496;MM67496;C#CC(F)C(C#N)NCC;GXVUGAQWEGRSMY-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67497;MM67497;C=NNC(C)C(C#N)=CN;DXPLVAGWEKMRPR-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67498;MM67498;CCC(CO)OC=CCN;HVZHTWXVALJVFU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67499;MM67499;C=NOC(=N)NC(=N)OC;KLOAPWUVGFRJNB-UHFFFAOYSA-N;144.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67500;MM67500;C=CC(=CC#N)NC(N)=O;FPNHXEAXRJOTLO-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67501;MM67501;C=CC=C(C=O)NC(N)=O;RIEGHSXTYMMWEN-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67502;MM67502;NC(=O)NC(C=O)=CC=O;JLVUNHCZLFUQJQ-UHFFFAOYSA-N;142.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67503;MM67503;N#CC(=CC=O)NC(N)=O;KSAYIEVXDZRUCK-UHFFFAOYSA-N;139.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67504;MM67504;N#CC=C(C=O)NC(N)=O;NKMOPBAYDMGJAN-UHFFFAOYSA-N;139.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67505;MM67505;N#CC=C(C#N)NC(N)=O;RZELHZVECPGFDJ-UHFFFAOYSA-N;136.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67506;MM67506;C=C(C)N=C(C#N)NC=O;KZSKKVNEOTZKNG-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67507;MM67507;C#CC(CC=NN)=NNC;QGBRIOPXMFQHPW-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67508;MM67508;N=CNC(=O)C=C(F)C=O;WUOPENLYLBPBTL-UHFFFAOYSA-N;144.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67509;MM67509;CC=NNC(=O)N(C)NC;RAMCINJDJNPDGF-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67510;MM67510;NCC(O)CC(F)=C(F)F;SUYVPPXASRQKQF-UHFFFAOYSA-N;155.12;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67511;MM67511;CC(=O)OC(C=O)=CC#N;BYHNXXKNFAKRAW-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67512;MM67512;CC(=O)OC(C#N)=CC#N;HZCNUCAKAAEVLL-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67513;MM67513;CCC(C)NC(CO)CO;RDAZJUCHUUOIGX-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67514;MM67514;CNNC(=O)COC;UORXHHZLSAXOJQ-UHFFFAOYSA-N;118.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67515;MM67515;C=NN=C(C#N)OC(N)=O;XCRBIYSSUVUUEY-UHFFFAOYSA-N;140.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67516;MM67516;C=CCOCCN;RSHBLZQBIVURPD-UHFFFAOYSA-N;101.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67517;MM67517;C=C(F)COCCN;JOXSLIHIUIEHEX-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67518;MM67518;C#CC=C(C=O)NC(C)=O;UUCUWTIMBLZBSW-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67519;MM67519;C#CC=C(C#N)NC(C)=O;URXWASCBTQSVLZ-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67520;MM67520;C#CC=C(C=O)NC(N)=O;JHDAOLAXSXWHPA-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67521;MM67521;C#CC=C(C#N)NC(N)=O;LKHGCFMJGFYSRT-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67522;MM67522;C#CC(=CCO)CC(=O)O;BMWCZDNUWHOQGG-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67523;MM67523;C=C(CNC)C(C)F;CYJDJGLYJWDAJA-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67524;MM67524;C#CC(=COC)CC(N)=O;AEYIDHJJGSFVGA-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67525;MM67525;CC=COCC(=O)NNC;HPRWMGOODPPHQJ-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67526;MM67526;N#CC(C#N)NC(=N)NO;OYLWSJOYAYLIBW-UHFFFAOYSA-N;139.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67527;MM67527;CC(C)=C(F)CC(O)CN;XWMSXLZSFKRISD-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67528;MM67528;C=CC(N)(C=C)CN;AWKTYHGLCSAZJJ-UHFFFAOYSA-N;112.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67529;MM67529;C#CC(=COC)NC(C)=O;VIOYKGBDWDGHMN-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67530;MM67530;C=CC(C)OCCN;ZURLCXCTUUHKLB-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67531;MM67531;C#CC(=COC)NC(N)=O;PQPFPIZZIDNPPE-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67532;MM67532;C#CC(=NCC)NC(N)=O;HYELYCGIXLEYCE-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67533;MM67533;C=CC=C(F)CC(O)CN;HFXDWKPBCOMSGN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67534;MM67534;C#CCN=C(NC)N(C)O;PUCCAGZPDYHXCK-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67535;MM67535;C#CC(=NOC)NC(N)=O;JZTDADCFXCBEHN-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67536;MM67536;C#CC(=CCO)OC(C)=O;AQTWVDOLVGGPTD-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67537;MM67537;C#CC(=NNC)OC(N)=O;KJOPRICHAJSWEP-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67538;MM67538;C#CCC(CN)OC;UNWKVCXOGHIVKW-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67539;MM67539;C#CC(=NOC)OC(N)=O;AMYYOLYXDBQCEW-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67540;MM67540;CCCCOCCN;BFBKUYFMLNOLOQ-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67541;MM67541;NCCOCCCF;WZSYAZDTXUJFFD-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67542;MM67542;C#CC(CC(N)=O)=NN=C;OKZDCQZOSFEPIQ-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67543;MM67543;C=CCCOCCN;SUTJRBJJAHYZQM-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67544;MM67544;C#CC(=CC=O)NC(N)=O;FWWNZYMCEMNFPW-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67545;MM67545;C#CC(=CC#N)NC(N)=O;QNRRFINUPDQYGN-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67546;MM67546;C#CCCOCCN;WUOZVGWFNFOOOX-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67547;MM67547;C#CC(=NC(=C)C)NC=O;NNDXTPITBLEKCK-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67548;MM67548;C#CC(=NC(C)=N)NC=O;CEXWJCWTLWZDPA-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67549;MM67549;C#CC(=NC(C)=O)NC=O;FZFUTZORFFZREL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67550;MM67550;CNC1(CO)CC1;HKFABBUJPSDLPI-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67551;MM67551;CN(O)C(=N)NC=CC=O;JUBAWZUEMXSFIA-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67552;MM67552;C#CC(=NC=N)NC(N)=O;VJJRWQFGAYJZSJ-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67553;MM67553;C#CC(=NN=C)NC(N)=O;CMKSJYLJRLRMHU-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67554;MM67554;CC=COCC(O)C=NN;MTQXAGIQUYEGIH-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67555;MM67555;CC=CCOCCN;YYKJMGQPHCTBGG-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67556;MM67556;NCCOCC=CF;QFEQWLLFDYFUIJ-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67557;MM67557;C#CC=C(C#C)NC(N)=O;ZXGQPUHZYUENPZ-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67558;MM67558;CC(F)(F)COCCN;QFCPYVNXZOLVMZ-UHFFFAOYSA-N;139.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67559;MM67559;CNCC(C)(N)C(F)F;PTMLRYGVYYTESK-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67560;MM67560;C=CC(=C)CC(O)CN;YHTLDRBSMCBHKM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67561;MM67561;CC(C)(CF)NCCN;LSVBBWHYJJDADK-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67562;MM67562;C=NNC(CO)=NN(C)C;VMAMGKKXMOAHMH-UHFFFAOYSA-N;144.18;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67563;MM67563;CNCCC(F)(F)C=O;PMSYIXZJLVCEPV-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67564;MM67564;C=CC(N)(C=CC)CN;IXEZDAOSUQMSRV-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67565;MM67565;CC(F)CCOCCN;XXOBFCOMSXZBGP-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67566;MM67566;C=C(C=CF)CC(O)CN;NUTXAWBIKCIUIP-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67567;MM67567;CC(C)=CCOCCN;DYSYYARKTCBSDH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67568;MM67568;CC(CCF)OCCN;BLRORQHSTIWVAH-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67569;MM67569;COCC(C)OCCN;FQJIKLGIMYXLIM-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67570;MM67570;CC(CC=NN)N(C)C;GASBSEQMMZSVLA-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67571;MM67571;CCC(F)CNCCN;SROPBJVXCWTHCC-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67572;MM67572;CC(CO)=NNC(C)C;XGRZMIRKBNYJOR-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67573;MM67573;CC(CF)COCCN;IIOJAWIZBDSPGV-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67574;MM67574;C#CC(C)COCCN;QHURROJZNPKYKT-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67575;MM67575;C=CCNCC(=C)CN;ACRUITKGZBJFFY-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67576;MM67576;CC(F)=C(C)CC(O)CN;HRAAJIYXNKMAIG-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67577;MM67577;C#CC(NN=C)C(C)=O;RLGJYFCIBUCTRI-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67578;MM67578;C#CCC(N)C(C)OC;CPAONBRBDZEHNS-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67579;MM67579;C=NOCOCC(C)(C)O;SOIGISSVKCOIAD-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67580;MM67580;CCN(C)N(C)C=NC;DWERTBOBKCFPGY-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67581;MM67581;C=NNCCC(O)C=CF;YHEOKQFXOKIXGI-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67582;MM67582;CC(C)=CC(C=O)NC=O;OYJDCSBXGARKRQ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67583;MM67583;CCC(CNC)OC=O;YFBMUAIZOSGYGU-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67584;MM67584;CC(C)=CN(C=O)CC=O;JPEQCIYYMCOHLR-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67585;MM67585;CC(C)=CN(C=O)CC#N;OZVAHEYNQOYZTD-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67586;MM67586;C#CC(=CCON=C)CO;AXODCAVUTYSYTL-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67587;MM67587;CC(F)=CN(C=O)CC=O;YOPVNITYJUZLCH-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67588;MM67588;CC(F)=CN(C=O)CC#N;GJRUTWKYIVHSCC-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67589;MM67589;C#CCC(CN)N(C)C;NEAARIJGESITPG-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67590;MM67590;CNCC(CN)=C(C)F;NLIAUEVVDDWXPJ-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67591;MM67591;C#CC(C=C(C)C)NC=O;NYFHWNTXCRTAAM-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67592;MM67592;C#CC(C)C(CN)OC;ZTYJURBXFIHNLX-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67593;MM67593;C#CC(NC)C(C)C=C;UBLCWKGMNFYLFN-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67594;MM67594;C=CCC(O)CN;WUCHYGSGPTWIRP-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67595;MM67595;CC(F)=CN(C=O)C=NO;SSPJZUBLRUFURM-UHFFFAOYSA-N;146.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67596;MM67596;C=C(OC)C(=CF)CN;NAMDRFUIHBLKGZ-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67597;MM67597;C=CC(CF)OCCN;YYYQBAXEKDTYDI-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67598;MM67598;C=CCNC(C=C)CN;NVWPESRHXZUBNQ-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67599;MM67599;CC(C)=CCC(O)CN;ISDOHQURRVTWRV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67600;MM67600;C=CCCCOCCN;ZVSRVETYYMCTKG-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67601;MM67601;CNN=CC(C)(C=O)CO;IIZIMUZLMKZTHZ-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67602;MM67602;CNN=CCOCCN;BDYPADDEDNZHFE-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67603;MM67603;C#CC=CCC(O)CN;KWHJTUFPIXGYGP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67604;MM67604;C#CCC(C)NN=CCO;RBIKGJQXRKTZEK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67605;MM67605;NCC(O)CC=CCCF;WPTWKAZVFDJXDK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67606;MM67606;C#CCC(=NN)C(=C)CO;UORJSPAUWLBDON-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67607;MM67607;CNN=CCOCCO;WYRJDGVZKKYFDH-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67608;MM67608;C=NOCOCC(C)CO;GYPDVUZZHNHSOU-UHFFFAOYSA-N;147.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67609;MM67609;C=NOCOCCC(C)O;IQGKRBMWHUCFTN-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67610;MM67610;C#CC(CN)CC(O)C=C;JBYQGIUNERRZMC-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67611;MM67611;CC(C)NC(=N)C(=N)NO;RJUHAXDHEJFFJE-UHFFFAOYSA-N;144.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67612;MM67612;CC=NNC=CC(N)=O;VCDHXDDMADSUOX-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67613;MM67613;C=NNCC(=O)N(C)C=O;ZFRKBEZSICWYCK-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67614;MM67614;CNN=CC=COCC=O;NULPETUNRDJUPH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67615;MM67615;CC(N)=CC(CC#N)=NO;OJNNGOKRCRBAQQ-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67616;MM67616;N#CCC(C=C(N)N)=NO;VVGIOVRDLLGJLL-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67617;MM67617;C=C(CO)C(=NCC)NN;DMCIIQNYFIUJMA-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67618;MM67618;N#CCNCC(=O)C=CF;VVNBFQNLEYFUBN-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67619;MM67619;CC(=COC=CCN)CO;PQTWXAATPIUENZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67620;MM67620;C=NNC(COC)=NNC;FLISSUZGQCOPGM-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67621;MM67621;COC(=NN)N(C)OC;HUZVIHMDSBNSOK-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67622;MM67622;C#CC(=O)ON(C)C=NN;OHZJJAMYQXEOHW-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67623;MM67623;C#CCC(CO)NCC;WQIOSMYKZBZIFR-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67624;MM67624;CC=CC(=O)CNCC#N;ZFIDXHONTABZAA-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67625;MM67625;C=CC(C#N)CNN=C;RPHTTWHKFFUHAP-UHFFFAOYSA-N;123.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67626;MM67626;C#CCCNC(C)CO;UYAPKTXGQARVNV-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67627;MM67627;CNN=CCOC(C)=NN;CPRGDPALZZMDPB-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67628;MM67628;C=NOC(C=C(C)N)=NO;WICSGULIDJOOTL-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67629;MM67629;C=CC(=CC(N)CC)CO;MIMULFWCVMBTSH-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67630;MM67630;C=NN=CCOCCN;JGCLNXOQHVAMDA-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67631;MM67631;C#CC(C=NOC)NN=C;RNTIELYOJRIGSY-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67632;MM67632;CC(CO)=C(C)C(C)N;JXPXJRWDEHIMEK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67633;MM67633;CC(C)(N)C(F)=CNC=N;CPIINFSLKHSBOY-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67634;MM67634;C=CCC(C)(N)C#CCN;DDKOBKOXFPNLHF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67635;MM67635;C=CC(C)(F)CNCCN;JDQXTMQGFAVMBS-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67636;MM67636;C#CC(CO)C(C)(C)CN;VPVGVUIAPFPLKC-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67637;MM67637;N=C(NOC=O)OC=O;YTTYRHUPXSDTOP-UHFFFAOYSA-N;132.08;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67638;MM67638;C#CC(C)(F)COCCN;VHDTUKOYIXRPPM-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67639;MM67639;CCON=CNOC;WRKSEEVWEVYIMP-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67640;MM67640;CCCC(N)(CN)C(C)F;VXKZWCIWQBWINN-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67641;MM67641;C#CC(=O)CC(=C)CNC;PVXSNZJIFFOJKH-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67642;MM67642;C#CC(CN)CC(C)(C)O;QMKVQDAUGLPAPI-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67643;MM67643;C=NNCC#CC=NN;ARYLPLJMJOPQTD-UHFFFAOYSA-N;124.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67644;MM67644;C=C(C)C#CCNCCN;PJVKEDREJNUGQF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67645;MM67645;C=NOC(C)COCCN;ODBRAMCTKQOQBQ-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67646;MM67646;CNC=C(C=O)C=C(C)C;BMVKYWAEGIAMPK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67647;MM67647;CC(=CCF)COCCN;FVUOYYKDIHZDGT-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67648;MM67648;C=NN=C(C)COCCN;VSJWPOYQRUKMSS-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67649;MM67649;C#CC(NC)C(C)C(=C)C;SPQNTABOJWXGSU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67650;MM67650;CC(F)=C(C)COCCN;XKENUNLKJURFFF-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67651;MM67651;CC(C)=C(F)COCCN;LICJEXCFDCUYHK-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67652;MM67652;C=C(C=NN)C(=N)N(C)N;GWXBROCQZQMBMB-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67653;MM67653;CCC(C)C(N)(CN)CF;GZKTWFNBHZTQAE-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67654;MM67654;CCCC(CN)(CF)NC;GVZLQCIENVYHMT-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67655;MM67655;C=CC(=CF)CNC(C)C;PXLUFRXFLFBNQT-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67656;MM67656;COC(=CCN)C(C)CO;MGMRRRJFCSUSNY-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67657;MM67657;C=NNC(=NO)C(C)C;YAODWSXTMKFAGZ-UHFFFAOYSA-N;129.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67658;MM67658;C=NNCC(C)OCCN;YBXFXIMPTVBIJZ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67659;MM67659;COC=CC(C)OCCN;RKXQAZVZIGFBJS-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67660;MM67660;CNN=CC(C)OCCN;BEECDNLIFXEQLA-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67661;MM67661;COC(C)C(C)OCCN;JZUNKVFCTPRNGD-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67662;MM67662;CCC(F)CCOCCN;USALATNGENUZPK-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67663;MM67663;CC(C)ONC(=NO)NO;NLHKVECCPYUGRL-UHFFFAOYSA-N;149.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67664;MM67664;CNNC(=O)NCC#N;JTUOKXMSKVADHG-UHFFFAOYSA-N;128.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67665;MM67665;CC(=CF)CCOCCN;RSBOHKJXSONKMJ-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67666;MM67666;COCC(=CC(C)O)OC;ZDVPUATWFPCTDN-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67667;MM67667;C=NOCC=NNC(C)=O;RRTXSLNKRWADHY-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67668;MM67668;CCOC(=CC(C)O)CO;VUMPBSLXPADHEL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67669;MM67669;C#CC(=NO)N(C)CC;XONCKNJOXMXBPQ-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67670;MM67670;C=NOCC(C)=NNC=O;RFLJVPVTWQQGEQ-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67671;MM67671;COC(C)=CCOCCN;PCWYDWYVAKPDMV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67672;MM67672;C=CC(CC=NN)NCC;HMDJFGYFWKCWHY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67673;MM67673;CC#CCNC(=O)NNC;SYSXXFHMEUNPNY-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67674;MM67674;C=CCNN(C=C)C=NC;XPHXVFGKBGWPME-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67675;MM67675;CNCC(=CCC#N)CF;IQHZKWNXLQRVLS-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67676;MM67676;CCC(CN)CN=CNO;RFUPALKVNWBTIP-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67677;MM67677;CN=C(C(=N)N)N(N)C=O;HKDUKTIEDLWQPU-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67678;MM67678;C=NNCC(NC)C(C)C;XVUFJYOYOXENAF-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67679;MM67679;C#CC(C=C)C(C=C)NC;JFHRAVJYWHHJBY-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67680;MM67680;CCC(COCCN)OC;ISCZGEZHAMIRGR-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67681;MM67681;CNNC(=O)NC;WVJCKRKDJABHSV-UHFFFAOYSA-N;103.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67682;MM67682;CC(C)(O)C(O)C=NN;OABGDTZJVULXSB-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67683;MM67683;CCNC(=O)NNC;OVGKWTSCTKEHMI-UHFFFAOYSA-N;117.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67684;MM67684;COC(=CC(C)F)NC=O;PPLQRRFLUIGVPE-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67685;MM67685;C#CCCCN(C=N)C=N;UFNWNVORZMOLBR-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67686;MM67686;C=CCNCC(=CC)CN;VJLMGBLJSASBSR-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67687;MM67687;CC(CO)COC=CCN;RXUSYNUZODVQND-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67688;MM67688;C#CC(=CF)COCCN;BGVYKQRSIPPXCO-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67689;MM67689;C=C(CNC)CC(=O)CC;ZNYNTAADFDZRAF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67690;MM67690;C=CC(=O)CC(=C)CNC;QDPINGCNVYMZME-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67691;MM67691;C=C(CNC)CC(C)=O;HCRGDJCCTNVILY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67692;MM67692;C#CC(O)C(=C)C=NN;SFDCNKKPIGBADY-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67693;MM67693;CC(O)CCOC=CCN;SIXNUUANLHSFAF-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67694;MM67694;CNNC(=O)NC(C)C;MBHIMIOHYVFYAL-UHFFFAOYSA-N;131.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67695;MM67695;C=NNC(C)C(CC)NC;UCNDEAIPXKWNKQ-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67696;MM67696;COC(=NC(C)C)NC=O;UEJSGORWKHCXMV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67697;MM67697;C#CC(CN)CC(C)O;HFPNURSVRDENCE-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67698;MM67698;CCCNC(=O)NNC;BYRZSPSJVMMSEM-UHFFFAOYSA-N;131.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67699;MM67699;CC=NNCCOCCN;UOYZPMDJVUQNNM-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67700;MM67700;NCCOCCOC=CF;CBVAMLPSCOXAOF-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67701;MM67701;C=CC(OC)C(O)C=NN;ZKHUBQFPKAQXMF-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67702;MM67702;N=CN=C(NN)NC=N;PWZKJQRPKOBQFT-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67703;MM67703;C=COC(CO)=NN(C)C;DFDFZAGQTSFLAV-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67704;MM67704;CCNN=CCOCCN;KCJOWJSTCKRTOV-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67705;MM67705;CC(N)C(=CCO)CCF;UXDMBNXEHZCVEU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67706;MM67706;CCNC(=O)NCCNC;NXGATEBNMBIXHD-UHFFFAOYSA-N;145.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67707;MM67707;CC1OC1(C)CN;VMCWEEVNUWVSTH-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67708;MM67708;CCC1(CN)CO1;IUTURYPEMKSLLO-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67709;MM67709;CC(=O)OCC(C)N;OSBHHTXUNQCORF-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67710;MM67710;NC(C=CCO)CCCF;ABIVGBIBALFPMC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67711;MM67711;C=C(C)CN(C)CC;FDBRUHQKZFYGKR-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67712;MM67712;CN(CC#N)C(=N)N;MDYASGOKFBJEMZ-UHFFFAOYSA-N;112.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67713;MM67713;CNC(C)C(C)=CF;NXYVCYDNTZPRCI-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67714;MM67714;CNC(=N)OCC#N;MJGCQBFTORKWLQ-UHFFFAOYSA-N;113.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67715;MM67715;CC=C(CF)CNC;NXKYHQCQWAJDQF-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67716;MM67716;C#CC(C#C)C(=N)N;VRUWXOYFAVVBOY-UHFFFAOYSA-N;106.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-methyl-2-(2-oxoethyl)pent-2-enenitrile;MM01642;CC(C)C=C(C#N)CC=O;XTJWIYAKKMJIAV-UHFFFAOYSA-N;137.18;1.68;73771649;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67717;MM67717;CCOC(=CCN)CCO;VWVLOXDRUXGFGX-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67718;MM67718;C=CC(=CC(C)O)NC=O;MOPIIKLMMRTTNY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67719;MM67719;CC(O)C=C(C#N)OC=O;JJFCXDBACCFTAL-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67720;MM67720;NC(C=CCF)CCCO;VKUVLPDZDPXBCK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67721;MM67721;N=CNC(N)=NC=O;PMGLEPZMFMNYGY-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67722;MM67722;CN(C)C=C(C#N)NC=O;JRYBLMGQTMCJQT-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67723;MM67723;C=C(C)C(C)(N)COC;MNMBEVTTXSMWJN-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67724;MM67724;CN(C)C=C(C#N)OC=O;JXSLWGSKHYXRSR-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67725;MM67725;CC=CC(=O)NCCNC;GHYQAPHIMVEXLP-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67726;MM67726;C=CC(O)(CF)CC=NN;BWOLXUBNGOBWJZ-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67727;MM67727;CNN=CCC(C)(F)CO;VAJDDCJWWLOGJQ-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67728;MM67728;C=CC(N)(CN)C(=C)C;ZCXBTMMDVLPCDE-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67729;MM67729;C#CC(C)(C#C)C(=N)N;LBOOJYKYMHWOKO-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67730;MM67730;CCC(=N)NC(=N)CF;DAEKVTIJEASVRF-UHFFFAOYSA-N;131.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67731;MM67731;COC(=O)OCC(C)N;XPCFDLNENHLNRK-UHFFFAOYSA-N;133.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67732;MM67732;C#CCCC(O)C=NNC;NCANKQYSXULIQC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67733;MM67733;CCCC(=O)NCCNC;GGYJKNHTOCSWIM-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67734;MM67734;CCNC(=O)CC(C)(C)N;BGRVZYZGMPERSU-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67735;MM67735;C#CC(=O)OCC(C)N;ZBUQLWIWRTXODD-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67736;MM67736;CNC(=O)CC(C)(C)N;QQRBHANIKJMYDF-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67737;MM67737;CC(C#CC(=N)N)=NN;MITOUPNZMVIBKG-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67738;MM67738;C#CC(=CC(C)O)OC=O;HZFBMURFAZTQEL-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67739;MM67739;CC(F)CCN=CNN;RQBQQYUOYPEJCU-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67740;MM67740;CN=CN(C)NCC#N;HFLMWVFRYIFLSZ-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67741;MM67741;C=CC(N)C(C)N(C)C;FTWQPYXZTFGOTR-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67742;MM67742;CC(F)C(C)NCCN;DXQWBPCIOTVSJV-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67743;MM67743;C=CN(N=CC)C(=N)NN;WZZIMUOGYMHUTH-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67744;MM67744;CC(C)=NNCC#CCO;RIUKYKHOSGDXOE-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67745;MM67745;CCNCC(C)=C(C)F;KJZHGIBQDWPZMG-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67746;MM67746;CC(CCNC=O)N(C)C;MFBLDXOJVXSNGJ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67747;MM67747;C=COC(CN)CCF;ZDYPXGBSBVUGHK-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67748;MM67748;COC(=CCF)NC=N;GAPABGLQGJAPLQ-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67749;MM67749;C=COC(C=NN)C(C)O;FQTBDIBWTDBNFR-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67750;MM67750;CNC(=CC(C)=O)CCF;LJSKLFSHHVMSNT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67751;MM67751;CNC(=CC(C)=O)COC;KBKXWPAIIOVCKK-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67752;MM67752;C=CC(OC=O)C(C)N;LQVYCVOMEWMUPG-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67753;MM67753;COC(=CC(C)=O)CCO;MXKDFOXLBFGYKI-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67754;MM67754;C#CC(C#C)(C=C)CN;WLGURFHTWNWUGN-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67755;MM67755;C#CC#CC(CF)CNC;QSQBNIODOGQFMK-UHFFFAOYSA-N;139.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67756;MM67756;CCNC(=CC(C)=O)CO;ITMSNZBCYQVKGI-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67757;MM67757;CCC(CF)NCCN;WKPHFYJPQJFFEA-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67758;MM67758;CCOC(=CC(C)=O)CO;MJJISKCTJDPMEM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67759;MM67759;C=C(F)CNC(C)(C)CN;NUTHUFUBWKOZFU-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67760;MM67760;CC=NOC(C=NN)CO;LLWXQBBDPVNKFD-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67761;MM67761;CCNN=C(C)CO;HVOTUIBXUNPQSS-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67762;MM67762;CCOC(=NNC)N(C)O;XNENETNLAZITTR-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67763;MM67763;CNCCOCC(C)C=O;FNQRQIINUUZESJ-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67764;MM67764;CN(NC=N)C(=N)CC#N;WCIHWZOPSCPXDR-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67765;MM67765;N=CNN=COC=CCN;BEWPGHWBSLQPMV-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67766;MM67766;CCNC(=N)NOCC#N;YLAFJQHIHXNIOV-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67767;MM67767;C#CC(C)(CNC)C(C)=O;ZAHSXLQDWSGQIT-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67768;MM67768;C=C(CC=O)CNC;MPSBNGWRZGJKCX-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67769;MM67769;CCNN=C(OC)N(C)O;RQBYFOZWGPUSSJ-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67770;MM67770;CCCOC(=NC=N)NO;JILQAYNHTOSAPE-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67771;MM67771;C#CC(C=C)(C=NN)CO;WLXDFFOBKHMPIZ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67772;MM67772;COC=C(C=NN)CO;SMUUPKKFMYXQNW-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67773;MM67773;CC(=O)C=C(CO)CC#N;SCYWQEHEEJLEQW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67774;MM67774;C=COC=C(C=NN)CO;WQZFBOZYIROHDT-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67775;MM67775;C#CC(C)ON=CNO;QBDWEYVTHQXPRT-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67776;MM67776;CNC(=CC(C)=O)CC=O;RMUVZAHAOCPECM-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67777;MM67777;C=NOC(C)ON=CNO;UYMXMNVBQZYLDY-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67778;MM67778;CNC(=CC(=O)O)CC=O;KYZJAHYYGWWQTJ-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16258;MM16258;CNC(=CC(=O)O)CC#N;RFVPCVMMUVWOCP-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67779;MM67779;COC(=CC(C)=O)CC=O;DBJNRLPRWGBQNZ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67780;MM67780;C#CC(C)(NN=C)C(N)=O;HGMGBNMILNMXOC-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67781;MM67781;C=C(F)C=C(CO)NC=O;DYPKIARYQQPARY-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67782;MM67782;C=NN=C(CC=NN)OC;BKHTVOLGYVAXJG-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67783;MM67783;C=NOCC(=C)OCC=O;UQVXPTISFIKTKW-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67784;MM67784;CNCCOC(C)C(C)=O;QUXPCIKNBKHPJR-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67785;MM67785;N=CN=CNC(=N)C=O;RHDDRRVYSIUAFM-UHFFFAOYSA-N;126.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67786;MM67786;CNN=C(NC=N)N(C)N;PYUYVSZLOPJILT-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67787;MM67787;C#CC(=O)CN(C)C=NC;RMPVJZXGASRFLJ-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67788;MM67788;CNN=COC=CCN;LKQGYONTEASFJW-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67789;MM67789;CCNN=COC=CCN;BEAMTXBPBICGLW-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67790;MM67790;C=COC(=CC(C)=O)CO;ZZAVCJYFWFOCIH-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67791;MM67791;CC(C)NC(C)(CN)CF;LIZJEFWYFFMSPO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67792;MM67792;C=NNCC(F)CC(C)=O;ZOVWFUZABKYBHF-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67793;MM67793;C=COC(=CC(N)=O)CO;OFSGAXNSISVMTG-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67794;MM67794;C=C(C)C(N)(C=CC)CN;FJOOSKFTXPQCTL-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67795;MM67795;C=NOC(=NC)NCC#N;CFRWONCULOTOTO-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67796;MM67796;CNN=C(C)OC=CCN;PNDINTAPPZVAHZ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67797;MM67797;CON=CNOCCC#N;YAIFZBYURIHYRM-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67798;MM67798;CNC(=NOC=O)NC=O;QKQHSSMYGSUQAE-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67799;MM67799;C=NOC(=NCC#N)NC;CFRWONCULOTOTO-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67800;MM67800;CCC(CNC)NCC=O;VJHUNYYJRVLPBV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67801;MM67801;C#CC(=CN)C(=O)NC=N;OQVUPNQZWCWNAW-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67802;MM67802;C#CC(=O)C=C(C)CNC;HCKJTERLYNSVPY-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67803;MM67803;CC(N)C(F)=CN(C)C=N;IGBNDUHGNFUWIR-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67804;MM67804;CCNN=C(N)C(=O)NN;CPEVLRMSPUIKQO-UHFFFAOYSA-N;145.17;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67805;MM67805;CNC(C)C=COC=NN;NGUFNEAINAQURW-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67806;MM67806;CC(=O)C=C(C=O)CCO;YFGFNXDGIRAUSZ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67807;MM67807;CC(N)COC(=O)CCF;FLAIJZPZGSKNRI-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67808;MM67808;CC=CC(N)COC(=N)N;WFMRBOHBINAVSL-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67809;MM67809;CNNC(N)=O;RKNBYEDXBCUNQB-UHFFFAOYSA-N;89.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16320;MM16320;COCC(C=O)=CC(=O)O;XCRLZKZOGYWNAK-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16150;MM16150;COCC(C#N)=CC(=O)O;POHUJJBQCRWYDL-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67810;MM67810;C=C(C)C(=O)OCC(C)N;QMQCYMRBZCWBNI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67811;MM67811;CCOC(C#N)=CC(N)=O;LDJJWVDAQFYWRV-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15305;MM15305;C=C(C)C=C(C#N)CC=O;KSAOIJKJLSCCJR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67812;MM67812;CC(=O)C=C(C#N)CC#N;UASOWIHIWVIZGQ-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67813;MM67813;C=CC(C)NCCN(C)C;MTDVHEAKNUIZJZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67814;MM67814;N#CC=C(CF)NC=N;HCVLKFKGCRYBKU-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67815;MM67815;N#CCC(C#N)=CC(N)=O;JJMPTALHJATBGU-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16130;MM16130;N#CCC(C=O)=CC(=O)O;XRIJCFYPCVIKAS-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16143;MM16143;N#CC(=CC(=O)O)CC=O;PQNFWXNTMZDIRM-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16094;MM16094;N#CCC(C#N)=CC(=O)O;PNWZGAQJDLDDEM-UHFFFAOYSA-N;136.11;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67816;MM67816;C=CC(=CC(C)=O)NC=O;CJVDXCCVKCFFRG-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67817;MM67817;O=CNC(C=O)=CC(=O)O;IYIGHBWGFUQDHX-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67818;MM67818;CN=CNNC(C)(C)C#N;VODRSMDAIDQQGV-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67819;MM67819;C=CC(O)C(=O)CON=C;KIIGOFDIVUGZOZ-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67820;MM67820;CNCC(=CC(C)C)CF;LAENJPYZPHIFEQ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67821;MM67821;CCN=CNNCC(C)C;HJMPKCAOJXOFIV-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67822;MM67822;C=COC(C#N)=CC(N)=O;QLDXUIBZKURMCS-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67823;MM67823;CNN=CC(C)C(O)CF;LMQGGNGENQAXAC-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67824;MM67824;C=CN=C(C#N)NC(N)=O;MVGPRSZUHOVTFL-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67825;MM67825;C=CC(=N)NOC(C)C#N;GBBYLXQPTYFLRN-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67826;MM67826;CNCCNC=C(F)C#N;OZMQTSPLELFCNH-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16311;MM16311;C#CCC(C=O)=CC(=O)O;MPVHBIQGTGLGMV-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67827;MM67827;C=C(NC=N)OC=CC#N;JEWMTYFSSZNCKY-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67828;MM67828;C#CC(=CC=NO)NC=N;UZYPSNRVEQTIBC-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67829;MM67829;C#CC(OC)C(N)C(C)C;ABDXOJDZEFYJNI-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67830;MM67830;C=CC(C)(CC=NN)NC;HQKTWTUXWGNFKC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67831;MM67831;CNC(=NNC=O)NC=N;XBJZHRWOIYNRBF-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67832;MM67832;CC(C)(CN)COC=NO;NPUUDYBDMPTKPU-UHFFFAOYSA-N;146.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67833;MM67833;CC(CN)(CF)CC=NO;BVCOOXPKIFJBPP-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67834;MM67834;CC(C#CC=NO)CN;GDOJRGSZYQNNAI-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16454;MM16454;C#CC(=CC(=O)O)NN=C;KDCCTZSFJKMRLE-UHFFFAOYSA-N;138.13;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67835;MM67835;CCC(CN)(COC)OC;APWJNEPCDDPWHA-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67836;MM67836;CN=C(C=CC=NO)NN;BYPWIJOBKVEREI-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16190;MM16190;C#CC(=CC(=O)O)OC=O;FGQSHALUCPRCNW-UHFFFAOYSA-N;140.09;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67837;MM67837;C#CC(C#CC)(CN)CN;PMURXRQJHWIXMZ-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67838;MM67838;C=CC(=N)NOC(C)OC;VSZSGAKMWZXWRB-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67839;MM67839;CNC(C)C=CC(=O)C=O;YISYXFDBALVKLO-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67840;MM67840;CC(C#CCCN)=NO;FTJUZKAUWLBJHY-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67841;MM67841;CCC(F)C(C)NCCN;GXKYQAFEHMLWER-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67842;MM67842;C#CC(CN)CC=NO;HNJRAHKWEZHEMM-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67843;MM67843;C=CNC(=N)NC(=O)NN;SBNBWMGFTLJHCU-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67844;MM67844;C=C(C=COC)N(N)C=N;CXCJFWRZNGLELN-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67845;MM67845;CCC(C=NO)=NN(C)C;CNYBKTYSZPGMKH-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67846;MM67846;CNC(C)=NC(=NO)NC;RYAUFGCYVSFGJT-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67847;MM67847;C=NN=CC(=C)C(=N)NN;CPTBQKJITMWVCH-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67848;MM67848;CN(C)C=C(C#N)C=NO;JLIGTTRSVXFWFL-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67849;MM67849;C#CC(=C)C(CN)NCC;AQSMEQVYVOJKLA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67850;MM67850;CC(=CC=NO)CN;UHVHCTBONCFWPN-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67851;MM67851;C#CC(C=NO)=CC(C)O;XMVUMQJHSXSAHJ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67852;MM67852;C=CN(CC#N)C(=N)NC;XFKPTMBFPZNSSB-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67853;MM67853;C#CC#CC(C)(O)C(=N)N;GJFQYFDFZGZNHF-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67854;MM67854;C#CC(F)C(=COC)CN;CIZVASYZYARWGE-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67855;MM67855;CC(C)=CC(C#N)C(=N)N;KNRZIUPNJVXQBX-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67856;MM67856;C#CC(C=NO)=NN(C)C;SSJYFVKDMXOTRL-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67857;MM67857;CCC(NC)C(C)(O)C=O;ZHKLDXBPLUODBM-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67858;MM67858;C#CC(O)C=C(C)C(C)N;RGUNMZLXVOXCKJ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67859;MM67859;CC(=O)C=C(C=NO)CO;JZLIBYNUWWGGJL-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67860;MM67860;C=NOC(C)(C)C(=O)CO;ANUPLZOXEXZKEU-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67861;MM67861;C#CC(=CC=O)N(C)C=N;DVTMPNJXIDIEPX-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67862;MM67862;CNC(C)(C)C(O)CO;QSSLRICSJKRFTQ-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67863;MM67863;CC(=O)C=C(C=O)C=NO;OSCUBRDCIKESGW-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67864;MM67864;N#CC(C=NO)=CC(=O)O;PYJUUTJMTNUWFS-UHFFFAOYSA-N;140.1;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67865;MM67865;CC#CC(=CC(C)O)CO;YIWSGZMIXXABHP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67866;MM67866;C=CCC(CN)NCCF;HUGNJSMNUIEYAE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67867;MM67867;N#CCCC(=CF)NC=N;ZFIHITGGDHUPLA-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67868;MM67868;CNC=C(C#N)CCNC;YJWDOQWGWVRXTA-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67869;MM67869;C#CC=C(C#N)CCNC;JTGJNUTYHFXOGB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67870;MM67870;CCC(O)(C=C(C)F)CN;BCNOEWVGILMWPT-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67871;MM67871;CNCC(=CCCF)CF;UFAWYYWDTFFCMU-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67872;MM67872;CCOC=CC(O)C=NN;HGVXVKRRUQECTC-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67873;MM67873;CCC(O)(C=CF)CN;WNFJEJVIKDLSAR-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67874;MM67874;C#CC(C(=N)NN)=C(C)C;OSKIUNAWRMNINI-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67875;MM67875;C#CC(OC)=C(CN)CF;GTLQWXWRTZRYRD-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67876;MM67876;C=CC(=NCCOC)NN;SMSJBBJEWBVFON-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67877;MM67877;CNCC(C)C(C#N)OC;VPNMLJHRFVXXHA-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67878;MM67878;CC=CC(O)(CN)CCF;LUHVQXFIVAXCDI-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67879;MM67879;CNN=CCC(=O)CO;SXQJQEPSBNAHSS-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67880;MM67880;C#CCCNNC=NCC;ZUXHSHHBSFIDML-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67881;MM67881;CCC(O)(C=COC)CN;RCBQJIBINTVDIG-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67882;MM67882;C#CCCC(O)(C=C)CN;SSYALPDLBRUXCK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67883;MM67883;C=CC(CC(C)O)C(C)O;PZQCBCNYHBZWOV-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67884;MM67884;CC(O)CC(C=O)C(C)F;SNDYDCNJHRBHMM-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67885;MM67885;CCN=CNCC#CCN;QOOLHVRRURTIAQ-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67886;MM67886;CCC(O)(C=CCF)CN;KMXFGXJNJXOUPN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67887;MM67887;CC1(CN)CO1;HIXGQJMGPKHMFT-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67888;MM67888;C=CC(O)(CN)CCC;XGLYQLLAVWVLLJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67889;MM67889;CC=CN=CNN;RWBKOPZHKJRGAW-UHFFFAOYSA-N;99.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67890;MM67890;C#CC(C)NC(C)C;GSQNEVOGXTVIJS-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67891;MM67891;CC(O)CN(C=O)C(C)C;NKILTKLDXSJFMI-UHFFFAOYSA-N;145.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67892;MM67892;CCN(C)CCCF;QGAUITPPILBDPB-UHFFFAOYSA-N;119.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67893;MM67893;C#CCOC(=N)NC;HTXDXXUIPWPVTA-UHFFFAOYSA-N;112.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67894;MM67894;C=C(C#N)CCNC;MRQMVYGJTASKCP-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67895;MM67895;CNCC(CF)OC;PTYKXMUEYMDPDH-UHFFFAOYSA-N;121.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67896;MM67896;C=CCC(CN)OC;USRZVIFQHZUGFI-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67897;MM67897;C=CC(O)(CN)CCCF;VULBLKFFZCAJHN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67898;MM67898;C=CC(O)(CC)CN;HMZZTHCQFTZQEV-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67899;MM67899;C=COC(CC)CN;ZEGGNQGRNAJTPF-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67900;MM67900;CCC(C#N)NC=N;DNESVWGVUCLDJI-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67901;MM67901;CC#CCNCCN;SXVFCFSVHJPQCI-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67902;MM67902;C#CCC(=C)C(C)(O)CN;ACPJMHOVJQOMSK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67903;MM67903;CC(C)(F)CNCCN;MKJMLYHKYOLFCS-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67904;MM67904;CCCC(C)(N)C(C)F;VCXXSMKPTFJBMB-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67905;MM67905;C=NN=COCC(C)N;FSQDTRCFPUUIGP-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67906;MM67906;COCC=CC(O)C=NN;XIRBAJURAYYFOL-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67907;MM67907;C=NN=CC#CC(=N)N;IVVCOWVOEPWIAK-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67908;MM67908;CC(=O)CC(CF)C(C)O;UBHRWBVZLOAEOJ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67909;MM67909;CCC(CC(N)=O)C(C)O;RPQXLFALWZZALF-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67910;MM67910;C#CCNN(C)C=NC;LKYRGTKMFXENLQ-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67911;MM67911;C=CCC(=C)C(C)(O)CN;GLBCWTWCEZIHQR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67912;MM67912;CNC(C)C(C)=C(C)F;CJEMMGKPTWDRMZ-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67913;MM67913;CC=C(C)C(C)(O)CN;WHPMYXNRFADEQM-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67914;MM67914;CCC(=O)C=CCNC;UKTXYODHKBUBIX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67915;MM67915;C=CC(=O)C=CCNC;BIMLRFZYAJARHB-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67916;MM67916;CNCC=CC(=O)C#N;WJZABAGYMWFHJV-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67917;MM67917;C=C(C)C(C)(O)CN;KWUHSNCZJAQEJT-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67918;MM67918;C=C(C=O)C(=C)CNC;GEBVSVQHXNSUMU-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67919;MM67919;C=C(C)CC(C=O)C(C)C;AHDXBJNQFLQTRP-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67920;MM67920;CCC(F)=CC(C)(O)CN;HJFSBSYAVKQDTF-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67921;MM67921;C=C(C)CC(C=O)C(C)F;GCZOJIHYVKMZBI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67922;MM67922;C=CC(=CC=O)CNC;QRGLXHCTOAHFMQ-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67923;MM67923;CN(C)C(CN)CCF;QAHIRNTZJZARSX-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67924;MM67924;CC(=O)NC(C=O)C(C)C;XGQSVYQUYAIRFA-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67925;MM67925;CC(F)=C(CN)C(C)F;HRQIUCSUVLTHKY-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67926;MM67926;CC(C)C(C#N)OC(N)=O;FJGJSMKBVXNHQL-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67927;MM67927;C=C(C)OC(C#N)C(C)O;LNHZIOCGXVNHDY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67928;MM67928;CC(=O)OC(C#N)C(C)O;IDAYXXCVXXWYKY-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67929;MM67929;COC(CN)C(C)CF;LTJRXFDUKJOZMY-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67930;MM67930;CC#CC(C)N(O)C(=N)N;CPRLMUDXBVGQDO-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67931;MM67931;C=CC(C)C(CN)OC;DMCGQBFMSJNLGC-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67932;MM67932;COC(CN)CC=CF;JJWLGWIQCAUJAD-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67933;MM67933;CCNCC(=CF)CC;KLXZPKYGFYUDTK-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67934;MM67934;C#CC(CC(C)=O)C(C)O;BKCPJMKCKYDSKO-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67935;MM67935;C#CC(CC(=O)O)C(C)O;GLLJKCANQXVGHN-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67936;MM67936;CCNN=C(C)C(O)CC;LIFVOGFLBGGDGA-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67937;MM67937;C#CC(NC(N)=O)C(C)F;JZLXDKKLKUJONA-UHFFFAOYSA-N;144.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67938;MM67938;CCNCC(=CF)CN;KYIZNCXLCNOMSU-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67939;MM67939;C#CC(C#N)N(O)C=NC;HGOAWTFUXDUAHM-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67940;MM67940;CNC(=N)OC(C)(C)C=O;IPOSYQOXHZUYCT-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67941;MM67941;CC(O)(C=CF)CN;MOYXXKHXOHFCTQ-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67942;MM67942;CCOC=CC(C)(O)CN;IKAUTIBSVXHMQU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67943;MM67943;CCC(C)(F)CNCCN;ANFIRMNZDRUBGO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67944;MM67944;CCOC(C)(CN)COC;HYTLUHKBQCBHRA-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67945;MM67945;CCNC(CC)(CO)CO;LTHDWPMSQJWMDH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67946;MM67946;C#CCCC(O)C=NN;ILHWXUMGRXTINF-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67947;MM67947;C=C(C)C(N)(CN)C(=C)C;JCPLMNJMXVEQED-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67948;MM67948;CC=NN(C)CC(F)CO;YNVRSCTVMSYJEE-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67949;MM67949;COC(CC(C)O)C(C)=O;DIARLZNFLWYWHT-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67950;MM67950;CC(C#N)OC(=N)N(C)C;KWCCNWLBCXEQFS-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67951;MM67951;C=CNC=NC(C)(C)CO;JDXLIKCEPWVCOC-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67952;MM67952;CC(N)C(F)CCN(C)C;PGOZGGWGSVCQPE-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67953;MM67953;C=C(C)CNC(C)C(=C)C;QOSKSBKYHKBWRM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-methoxy-2-propan-2-yloxyacetic Acid";MM03477;COC(OC(C)C)C(=O)O;LNXLSAVPMUEIBB-UHFFFAOYSA-N;148.16;0.47;21910556;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67954;MM67954;C=COC(CO)C(C)(C)N;RRDRCKOOHZLTBR-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67955;MM67955;C=COC(=O)OC(C)CN;IAHBJSSLYWVVSD-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67956;MM67956;CC1(N)CC1O;UODFJEMZGXMCRA-UHFFFAOYSA-N;87.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67957;MM67957;C=NN(C)CC(=C)CNC;IZOQDNXSMSGLOI-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67958;MM67958;C=C(C)CC(CN)=C(F)F;QIQGAQPZSOIBSR-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67959;MM67959;CC(=O)C(C=O)CC(C)O;ARUQGPFFSUZWTA-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67960;MM67960;CC(=O)C(C#N)CC(C)O;LSRWISNFNJYPMN-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67961;MM67961;C#CCC(C)(CO)NC;FHEMVODBOCKMLB-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67962;MM67962;C#CCNC(=NC)N(C)O;PUCCAGZPDYHXCK-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67963;MM67963;C=CC(CC(C)O)C(N)=O;CLPMQFYTOQKYFS-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67964;MM67964;C=C(CNC)CNN=CC;QVTLQELJHCIVKF-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67965;MM67965;CN(C)C(C)(C)CO;XRIBIDPMFSLGFS-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67966;MM67966;C=CC(C)(F)CC(O)CN;ZKXQTQQXLNWIAO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67967;MM67967;CCCNN=C(CC)CO;BIFFRAXVPSFKAD-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67968;MM67968;CC(C)(F)CC(O)CN;DEOUTDFUOMDSLX-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67969;MM67969;C=CCN=C(NN)NO;VIFHJOOWDXRDSV-UHFFFAOYSA-N;130.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67970;MM67970;C=NNCCC(N)C=CF;HNEAKCAVYVXDSN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67971;MM67971;CC(=O)N(C=O)CC(C)C;CCUFTOACXUGEOV-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67972;MM67972;C=CN(CC(C)O)C(C)=O;WCONOBXWFXXFIK-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67973;MM67973;N=CNC(=N)NO;IRRNSFFHTGCWJB-UHFFFAOYSA-N;102.1;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67974;MM67974;C=C(NC=N)OC=CC=O;KCJDGTSDQZJPSL-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67975;MM67975;C=CC#CCC(=N)NNC;LEFAVLITASZBIR-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67976;MM67976;CCC(F)CC(O)CN;XFMNDAIJLHPJJH-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67977;MM67977;CC(=O)N(C=O)OC(C)C;SKHABSVFGVLBJT-UHFFFAOYSA-N;145.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67978;MM67978;CCOC(C)CC(O)CN;TVFCYDLKCSYFFH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67979;MM67979;C=CN(OC(C)C)C(N)=O;WJMJXVYOJDYPNF-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67980;MM67980;C#CC(CC(C)O)C(C)=O;NOCBWFNJSCWRBV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16518;MM16518;C#CC(CC(C)O)C(=O)O;YGLLCNRSKXCTSR-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67981;MM67981;CNCC=CC(=O)COC;POLMEBMFUCPWQZ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67982;MM67982;C#CC(C#C)CC(O)CN;DGXCZBAWJKFXMS-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67983;MM67983;CC=COCCC(O)CN;HKYUXGXHXVBXBZ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67984;MM67984;C=C(C)C(CO)CC(C)=O;YMHHCORQSIBLTL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67985;MM67985;C#CC(C=C)CC(O)CN;SZWFCPKUOFNRII-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67986;MM67986;C=C(C)C(CO)CC(=O)O;PHVXTLWKDLVJPT-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67987;MM67987;C#CC(C)CC(O)CN;ABHRNDJMWFTNSB-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67988;MM67988;CC(CF)CC(O)CN;NLNCAMCTDOAPIS-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67989;MM67989;CONC(=N)C=CCC#N;SRDQJTGQPSWEMG-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67990;MM67990;C=C(C)CC(OC)C(C)=O;FGZLLUQJSRBMQZ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67991;MM67991;C=C(C)CC(OC)C(N)=O;BQQHYGLDOLQCLG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67992;MM67992;C=C(C)CCC(O)CN;NXVHUTSHPRQFKT-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67993;MM67993;C=C(C)C(C)CC(O)CN;CHMILKVAIQMTMR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67994;MM67994;C=C(C)C(CO)NC(C)=O;DIKLBOJWOGPFDW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67995;MM67995;CCC(NC(C)=O)C(C)=O;LGNLYBTZMQHESY-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-acetamidobutanoic Acid";MM03614;CCC(NC(C)=O)C(=O)O;WZVZUKROCHDMDT-UHFFFAOYSA-N;145.16;-0.01;306107;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67996;MM67996;CCN(CC(=O)O)C(C)=O;ZWGZDKQORRWCGT-UHFFFAOYSA-N;145.16;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67997;MM67997;C#CCC#CC(N)CNC;HXIDWNYWFAAYON-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67998;MM67998;CC#CC(=N)N(C)NC=N;HYRJVNAQJKROQS-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM67999;MM67999;C=C(C)CN(OC)C(C)=O;YDMXAVRJDMHWHO-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68000;MM68000;C=NN=CCCC(O)CN;NRFHNUVNTPGTGL-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68001;MM68001;C=C(C)CC(C=O)C(N)=O;GZVFKOXKHNTHBE-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68002;MM68002;C=C(C)CC(C#N)C(N)=O;GVJSHQAJRQWUEM-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68003;MM68003;C=C(C)C(C=O)NC(C)=O;PDLCADWEUDTYNG-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68004;MM68004;C=C(C)C(C#N)NC(C)=O;FYLLKDKHIWCUOZ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68005;MM68005;CC(C)CC(O)CN;IOZUWBDNSBSOBS-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68006;MM68006;C=CCCC(O)CN;OKUFACNXCOEMNH-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68007;MM68007;CC(F)CCC(O)CN;YKMQTTPQWAYHNI-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68008;MM68008;C=C(C)OC(C#N)C(N)=O;QSSDQRRWPVQACG-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16484;MM16484;C=C(C)N(C=O)CC(=O)O;QIGDCUYUOMZEKR-UHFFFAOYSA-N;143.14;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68009;MM68009;C=COC=CC(=N)N(C)N;ALEBQWFNTWHQJL-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68010;MM68010;CNCC(OC=O)C(C)C;BSMPGYZRKUBCID-UHFFFAOYSA-N;145.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68011;MM68011;C=C(C)C(=CC=O)CNC;ABDBCUSISKEUBQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68012;MM68012;C=C(C)CN(C=O)C(C)=O;WQFRWAVXGBGFIF-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68013;MM68013;C#CCCCC(O)CN;FOJVDZRCTZMZDO-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16464;MM16464;C#CC(CC(C)=O)C(=O)O;NNUSLKPYYUOKEY-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68014;MM68014;CCC(N)(CF)CCCF;LFQCOGDJFSBILF-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68015;MM68015;COCCNN=CCO;RVRDUONMRUQNRN-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68016;MM68016;CCC(CN)(NC)C(C)F;JTUKKRCRSWBYSS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68017;MM68017;CCC(O)CN;KODLUXHSIZOKTG-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68018;MM68018;CCCC(O)CN;ZRUPXAZUXDFLTG-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68019;MM68019;CCCCC(O)CN;PZOIEPPCQPZUAP-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68020;MM68020;C=CC(CN)(NC)C(=C)C;RTSLPBBOTNJFBS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68021;MM68021;C=COCCNN=CCO;JYMXPYKYVYQDHV-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68022;MM68022;CC=C(C)OCC(N)CN;MHUSHIWCMYUGRZ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68023;MM68023;COCCCCC(O)CN;SSNZEIWCROBESM-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68024;MM68024;N=C(CC=CF)NO;YPBIHEWRZYHLFG-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68025;MM68025;CC(F)=CCC(=N)NO;JHCZROXNYIKXPV-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68026;MM68026;CC(=CCC#N)C(=N)NO;NAPJTCBHNRSWLD-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68027;MM68027;CC(C)(O)CNCCC=O;YWAXOOYHUBBWLR-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68028;MM68028;NCCC(CO)CO;VTYBYCXLGOZQPN-UHFFFAOYSA-N;119.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68029;MM68029;CC(C)CC(=NO)N(C)O;FHUYUGWROAHGPX-UHFFFAOYSA-N;146.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68030;MM68030;C=C(CC)CN(C=N)NC;YJGYOTHSADGSQU-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68031;MM68031;CC#CC(CO)CNC;VUIPVWOPYYLCCI-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68032;MM68032;CN=CC(C=O)=C(C)NO;QMOUHZJFKYSQRI-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68033;MM68033;CC(=CC(C)O)C(C)N;CKANGQYCMHCNAD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68034;MM68034;C=CC(N)CCC(C)(C)O;FKZLXEYMEYAAGF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68035;MM68035;CC=C(C)CN(C=N)NC;DQSGMEGWSKTDDD-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68036;MM68036;C=C(CC(C)O)C(C)N;ZVUBDGKLUIYLKR-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68037;MM68037;C=C(C=NNCC=O)CO;SGVHACRDRKENBU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68038;MM68038;CC(=CCO)C(C)N;KWOSKBFIPAEBBA-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68039;MM68039;CCC(N)C(C)N(C)C=O;PYXSTPXJIQUBHW-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68040;MM68040;C#CC(=C)C(=N)N(N)C=C;DYOISGBUVLSOKT-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68041;MM68041;CC(C#N)ON=CNO;UPFWWUCFJPSCMO-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68042;MM68042;C=CC#CC(C)NCCN;HPNRFKXNPXTXQQ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68043;MM68043;CC(=O)CC(=CF)C(C)O;UOCKSJOQMUTHCR-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68044;MM68044;CC=C(CC(N)=O)C(C)O;KYSUIOBYMRDZDL-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68045;MM68045;CC(=O)CC(=NO)C(C)C;KACSEFCTAWMZQW-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68046;MM68046;CC(C)C(CC(=O)O)=NO;MJZAWFWWSSYIMN-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68047;MM68047;CN=CNC(C)C#CCN;CBYXFKSXUMDETB-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68048;MM68048;CC=C(NC(N)=O)C(C)O;JEQNXAAPCCSZEO-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68049;MM68049;CCC(N)C=CCO;IFZYRHRSXWPNAT-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68050;MM68050;CC(=O)NC(=NN)C(C)C;JGFFUWQHGDHDNI-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68051;MM68051;CC(=O)NC(=NO)C(C)C;ULGXWJYNKQROAP-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68052;MM68052;C=C(CCO)C(C)N;DKXFDCSSMXHXMN-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68053;MM68053;C=CC(N)CCCO;MBKZPVHEPSNGGF-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68054;MM68054;C#CC=CC(N)C(=C)CN;QEQACKZKDZOTLM-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68055;MM68055;CC=CC(N)CCCO;OTFBLYYTVBYBOL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68056;MM68056;CN(N)C(=NC=NN)NN;HQVYQWGCJZWBTK-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68057;MM68057;C=C(C)CC(=NO)N(C)O;DCJMWRUOKYBMQH-UHFFFAOYSA-N;144.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68058;MM68058;C=NNCC(=CF)CCO;HLWNXGBEIODTIJ-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68059;MM68059;CNN=CC(CF)CCO;BBFAGUKOVQESSO-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68060;MM68060;CN(C)C(=N)C(C#N)CF;ARUMQAVQXIWROC-UHFFFAOYSA-N;143.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68061;MM68061;C=NNC(=N)N(N)C(C)C;URVNFRQLSYHHGF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68062;MM68062;CCNC(CC=O)CNC;LDPFWKGEIHJJOP-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68063;MM68063;CC(=CCC(N)=O)C(C)N;KFBWRGRYAQPAKX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68064;MM68064;CNC(=N)OCC#CCF;RPPXXJRMLPUHNE-UHFFFAOYSA-N;144.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68065;MM68065;CC=NNC(=N)N(N)CC;QIZFVMCZMKOFQR-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68066;MM68066;CC(C)=NNC(=N)N(C)N;CUJGQKDYGQRMAL-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68067;MM68067;CNC(=N)NOC(C)C#N;PJEDDMOAQVOYMX-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68068;MM68068;CNC(=N)C=NNCC#N;XLZJAQFLEOHVDF-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68069;MM68069;C=CNC(=NN)NC=NC;SWARQRNVXKFWHR-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68070;MM68070;CNCC(C)(C)OC=NN;QHVKQYVMAVEMHU-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68071;MM68071;CNC(C#N)C=O;SEOLSDCAQNTVPE-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68072;MM68072;CC#CC(=O)CCNC;CSOYTEOJFQVVKP-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68073;MM68073;CCC#CC(=O)CCNC;RJEIQQLAJHNACH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68074;MM68074;C#CC(N)C(=CC)CNC;CIPQFHUQESUNPN-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68075;MM68075;C=CC(CC=O)=NOCC;DYMGNQSTOLGNAK-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68076;MM68076;CCC(=NN)C(=N)NC;WQHDDKSSCWWWDU-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68077;MM68077;CC(N)=C(C=NN)NC=N;RLOTUEYOYFFIMI-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68078;MM68078;C=NNC=NNCC(C)=O;HZDXXJZNWYRVRW-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68079;MM68079;CC(C)OC(=CN)C(N)=O;MBEPZAYFXFRXEH-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68080;MM68080;C=NNC(CCCN)=NC;ITIKGTBNGJUMHT-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68081;MM68081;COC=C(OC)C(=N)NN;JYCNLDMKYYTTBN-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68082;MM68082;C=CN=C(C=C(C)N)NN;QMWIEQYQMGZRDU-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68083;MM68083;C=CC(CNC)=C(C)C=O;DJZRXURNNUCWKC-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68084;MM68084;CC=C(CC(N)=O)C(C)=O;YAAHUAIFZJCZOT-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68085;MM68085;C=NOCC(C=O)OC;YZMRZNFEKQUKPB-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68086;MM68086;C=NNC(=N)C(C)CCN;SMKNGOWGFLPYNO-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68087;MM68087;CN=C(CCN)NC=CF;XIWMCWFJOOGQMY-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68088;MM68088;CC=NN(C)C=NNC;NOZZPZOUTIRLJQ-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68089;MM68089;C=C(C)C(CC(N)=O)=NO;AWXOUUTXCQOKBK-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68090;MM68090;C=C(C)C(CC(=O)O)=NN;PFKCMSQXFQWTKM-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16549;MM16549;C=C(C)C(CC(=O)O)=NO;UCWRFJZCLHMYOW-UHFFFAOYSA-N;143.14;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68091;MM68091;CC(=O)CC(=NO)C(C)=O;WZCQFOAUTDONOT-UHFFFAOYSA-N;143.14;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68092;MM68092;C=CCNC(=NN)ON=C;ASNKZERNJCIOQC-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68093;MM68093;C=NN(C)C=NC=NNC;RCVAGFDRXCSHGB-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68094;MM68094;C=C(C)CC(=NO)C(N)=O;FFMKJIOLNDYENF-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68095;MM68095;CNN=COCC=NN;LLYALBYWXRYDCP-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68096;MM68096;CC=C(NC(C)=O)C(N)=O;HGVJTGGKWPEDAB-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68097;MM68097;C=C(C)C(=NN)NC(C)=O;XBRRRVWEBIBDTP-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68098;MM68098;CNN=CCC(=N)NC=N;KSZGNKCKDVHXMP-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68099;MM68099;C#CC(C)(C=O)NN=C;WHVRLGFEGZSFSQ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68100;MM68100;C=C(C)C(=NO)NC(N)=O;NZKJSDBNFHQJBC-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68101;MM68101;C=NNC(C=C(N)N)=NO;CTQVGBIALCMDCM-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68102;MM68102;N=C(N)C=NNCC=NO;IJFQCGCBXNEYBU-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68103;MM68103;C=C(C)OC(=CN)C(N)=O;RKLSQTSKQIENIX-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68104;MM68104;CNC(C)(C)COC=NO;JJAYATLLLZZNHD-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68105;MM68105;CNCC=C(COC)OC;JZPKUKRCVSLFOD-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68106;MM68106;N#CC=NN=CNC(=N)N;FZCNFLCMXBRZJC-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68107;MM68107;C=CC(N)C(CN)=C(C)C;HCJUEGWYUSMIHB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68108;MM68108;C=CC(NCCC)C(=C)C;BTHHDFFOGIMKFO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68109;MM68109;CC(C)=CC(C=O)C(C)O;PALOSPPLBQJVMP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68110;MM68110;CC(F)=CC(C=O)C(C)O;AJQTZTXLCYEDOU-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68111;MM68111;CC(C)=CC(C=O)C(C)F;VYIXHPHGVQEBFH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68112;MM68112;C=C(F)C#CC(O)C(=N)N;KBMUCQGVEGUHDU-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68113;MM68113;C=CCON(C=C)C(C)=N;JVPLVVGNPSDQAR-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68114;MM68114;COC(C#CC#N)C(=N)N;OEKOWELRJNVUEJ-UHFFFAOYSA-N;137.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68115;MM68115;CC=CC(C#N)C(=N)N;MUMMBNBTOIBBST-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68116;MM68116;CC(C)=CC(CO)C(=O)O;JOOAFQVJHPXDRK-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68117;MM68117;CCN(C=C(C)C)C(N)=O;STZZVNBVHYOYTB-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68118;MM68118;C=CCCCN(C=N)C=N;XNFDYAOCPLOFOZ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68119;MM68119;CON(C=C(C)C)C(N)=O;SDGGPKQDXNEOJS-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68120;MM68120;CNCC=C(C)C#CCO;AYKCDSATMYARPY-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68121;MM68121;CNNC(=NC(N)=O)NC;TUYGZDOCXVSUTQ-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68122;MM68122;C=NNC(=NO)NC=CF;OBXWTRAFNFNVTH-UHFFFAOYSA-N;146.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68123;MM68123;C#CCC(=NC)NC(N)=O;XIVYBRANNYEBHV-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68124;MM68124;CC(C)=CC(C#N)C(N)=O;JVAKZJDJHDOOQD-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68125;MM68125;CCC(CN)OC=NOC;YPSSHDDJVXJHEX-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68126;MM68126;C#CC(=CC)C(=N)NNC;HGFWJNAWKYQBIE-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68127;MM68127;C#CC(=NN)C(=C)NC=N;XXZAXVUQXGZQRQ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68128;MM68128;CC=CC(N)C(=CC)CN;HWHGNPLTGRUVNJ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68129;MM68129;C#CC(CN)C(C)=NOC;STXWUTXWGUYSRB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68130;MM68130;C#CC(C=C(C)C)C(N)=O;JIDKHOGEWQHAFN-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68131;MM68131;CCNC(=N)N(O)C=NC;BRRSTRSXCQFNAJ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68132;MM68132;C#CC(C)(C)C(C)(O)CN;VUEWLIOAMPJBPU-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68133;MM68133;C#CCC(O)(CN)CC=C;LCMKASYVOZCMOT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68134;MM68134;C=NOCC(=NC)NC=O;LFCKBDYKWRGRKO-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68135;MM68135;C#CC(C=C)C(C)(O)CN;RDLHXTAPLOCKHN-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68136;MM68136;CC(C)=CC(=NO)N(C)O;PCKPBEOIVAXBII-UHFFFAOYSA-N;144.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68137;MM68137;CC(=O)C(C=C(C)C)=NO;BOTPHUPOEYUHLR-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68138;MM68138;CC(C)CC(O)(CN)CN;ZZBGLAFREVMKGV-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68139;MM68139;NCCNCC#CCCF;JKYLBYRETKMCQM-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68140;MM68140;CN(C)CCN;DILRJUIACXKSQE-UHFFFAOYSA-N;88.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68141;MM68141;NCC=C(F)F;NXDISQNMKXPILO-UHFFFAOYSA-N;93.08;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68142;MM68142;NCC(N)CN;PZZICILSCNDOKK-UHFFFAOYSA-N;89.14;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68143;MM68143;C=NN=C(CO)NC(=N)N;BUYHZXDWSJBFFG-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68144;MM68144;CCCCNNC(=O)NN;JIBXJUJLWPFJQM-UHFFFAOYSA-N;146.19;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68145;MM68145;CC(=NN)C(O)C=NN;QRSVMPVPMUIJCD-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68146;MM68146;COC(=CC(C)O)C(C)O;PPOBKNZPPGDYNS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68147;MM68147;C#CC(C)(N)CC;YGWRQPVJLXLHAC-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68148;MM68148;C=NNCC(C)(O)C(=C)F;KWJFOIFDDXHDDI-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68149;MM68149;C=COC(C)CN;LTIMNFWNUWRUNT-UHFFFAOYSA-N;101.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68150;MM68150;C=NN=CC(O)CON=C;ODSGBETZBXNFEN-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68151;MM68151;CCC(CN)OC;VUZDMYKIULCESL-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68152;MM68152;CCC(O)C(C)=NNC;CXZSRURSFLYJDV-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68153;MM68153;C=CC=CN(O)C(=N)NN;PYNHITVHNGFAQN-UHFFFAOYSA-N;142.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68154;MM68154;CNCC=CC=O;KXQKPYXSIHTGOM-UHFFFAOYSA-N;99.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68155;MM68155;CC(CCF)N(C)C;VRSXHIKADVUGPA-UHFFFAOYSA-N;119.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68156;MM68156;CC(C)C(=NN)C(C)O;XPYPBBCMYYGXQI-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68157;MM68157;C#CC=CC(C)(O)CN;PUJZRBCQWANTOW-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68158;MM68158;C=CC(C)=CC(C)(O)CN;AZYIKHMTWIHQED-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68159;MM68159;C=CC=CC(C)(O)CN;WYDKLZBDNUGCKR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68160;MM68160;CC(F)C=CC(C)(O)CN;ILKBJADULNFFTO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68161;MM68161;C=C(C)C=CC(C)(O)CN;DFYLDKGLQARIRZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68162;MM68162;CC(CC#CC(C)O)=NN;XVGYIUCOEIFIHL-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68163;MM68163;CC(O)(C=CC=CF)CN;MOKHIEKXWVZJGN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68164;MM68164;C#CCC(=N)N(C)N;SFHXSRPTTPABOJ-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68165;MM68165;CC(C)(C)C(CO)=NN;FMHPURIJAJAJED-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68166;MM68166;CNC(=O)N(N)C=NC=N;XONIBZWGBWSPEP-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68167;MM68167;C=C(C)C(C)N(C)C;LYLWIKYXOMUWGA-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68168;MM68168;CC(O)C=C(C=O)C(C)C;FYKIVNFYKIRPPW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68169;MM68169;C=NNCC(=O)C(C)=O;DCYWUNJQSNGBLJ-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68170;MM68170;CC(F)C=C(C=O)C(C)O;XEPNMCDCIFHUEF-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68171;MM68171;CC(O)C=C(C=O)C(C)F;CUEMLXNEQTVAGT-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68172;MM68172;C#CC(=CC(C)=NN)CO;VSIJIXFXHJMTIY-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68173;MM68173;C=NNCC(CO)=C(C)F;SJSWUPMABZKRRM-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68174;MM68174;CC(O)C(C#N)=NN(C)C;FMKJQDDUNBZCRC-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68175;MM68175;C#CC(C=NN)CO;RIZLAIDBRRRSHU-UHFFFAOYSA-N;112.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68176;MM68176;CC(CN)OC=CF;WKLQTBKAOIJGNO-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68177;MM68177;CCCN(C=N)C=N;SMNZFVJFYRPRGX-UHFFFAOYSA-N;113.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68178;MM68178;CNC(C=CF)CN;FQFDTHUDWLVNGI-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68179;MM68179;C#CC(C#CC)CN;RRLULPHFSVNKIL-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68180;MM68180;CCC(C#N)ON=CNO;ZPLDEQJQKFUSNK-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68181;MM68181;CN(C)N=C(C#N)N(C)O;MLGYMJMZLJFJSO-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68182;MM68182;CC(C)=CC(C)(O)CN;BQHKJNTVRGFKJW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68183;MM68183;C=CC(CC)N(C)C;MSMQZIXTRIRUKP-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68184;MM68184;CC(F)C(=CF)CN;XYZISXOGXFBEMA-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68185;MM68185;CC(F)=C(CN)CF;JODHTKDILFDEGW-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68186;MM68186;CCC(C)=CC(C)(O)CN;IFZYIUXTKJXALP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68187;MM68187;CN=C(C#N)N=CNO;CXLLONSDJVEUNV-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68188;MM68188;C=CC(C)(CN)N(C)C;NKAQCIQJNGKOBI-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68189;MM68189;CC=CC(C)(O)CN;ARTWWZICYQDOFO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68190;MM68190;CC(=CF)OC(C)CN;ICKLPVYXCLNVHJ-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68191;MM68191;CCC=CC(C)(O)CN;DUHPILIPTBBSCU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68192;MM68192;CC=NN(CCO)CCF;VQMDJGPWXYKSLR-UHFFFAOYSA-N;148.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68193;MM68193;CNC(=CC(C)=O)C(C)O;HYGDGSWBGSGRTC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68194;MM68194;COC(CN)CC(C)F;OHQAUFOSRZAHOX-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68195;MM68195;COC(=CC(C)=O)C(C)O;XKVPHRZWQTUNQM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68196;MM68196;CC(=O)C=C(CO)N(C)C;QWEKCYJPOJYVFG-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68197;MM68197;C=NNC(C#CC)C(N)=O;VTKHSOYKCSPOER-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68198;MM68198;CNCC=C(C)OC=O;NJLKHBSNSUSRLI-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68199;MM68199;CC(C#N)N(C)C(=N)N;AWERLEBVWOCZIJ-UHFFFAOYSA-N;126.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68200;MM68200;CC(C)C=CC(C)(O)CN;PITWRNXEPOHZNA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68201;MM68201;C#CC(C)C(=N)N(C)N;XQUPRUVIENRYEC-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16416;MM16416;COC(=CC(=O)O)N(C)C;POALNOQHQQWCAE-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68202;MM68202;CC(O)(C=CCCF)CN;AHOMHKCJPIFIRJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68203;MM68203;C=CCC=CC(C)(O)CN;DCIMPSWMXTWBOO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68204;MM68204;C=CCN(C)C(C)CN;HBKZTIGMCRTHOO-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68205;MM68205;C=C(CN)C(N)C=CC;ZNGRUFTWKKXMHX-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68206;MM68206;CCCN(C=N)CC#N;HHODJQMYLPVNMZ-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68207;MM68207;C=CC(C)(O)CN;HIZLKTYBQGWVMQ-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68208;MM68208;C=NN(C=N)C(=C)C(N)=O;KPEYOWUDYQDJEL-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68209;MM68209;COC(CO)C(C)(C)N;VUSIMIMTSRCUCN-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68210;MM68210;CCOC(CO)C(C)(C)N;GEZUWYOZGLSWSZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68211;MM68211;C=C(C)CN=C(NN)NO;UXEQZFUKHKJHTG-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68212;MM68212;COC=NN=C(N)CC=O;XWQOYUQQQDTLPK-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68213;MM68213;C=NNC=NNC(C)C=O;CEDTVIOYVRWEMO-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68214;MM68214;CC#CC(C)C(N)C(C)O;YZYVZFVKVZRCGB-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68215;MM68215;C#CC(C)C(=O)CN=CN;WGZWXWHWOYCJOD-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68216;MM68216;N#CCC=CC(=N)NO;CAXNKRDMOOAQPF-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68217;MM68217;CC(O)CN;HXKKHQJGJAFBHI-UHFFFAOYSA-N;75.11;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68218;MM68218;C#CC(C#C)(CN)CN;OLNLNPIVVSYSMX-UHFFFAOYSA-N;122.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68219;MM68219;CC(=O)C=C(C=O)C(C)O;ZJKCLMPQYHXJLM-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68220;MM68220;CC(=O)C=C(C#N)C(C)O;YEOCWUYHXOQWQT-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16151;MM16151;CC(O)C(C#N)=CC(=O)O;QAONDNNLRGRIQZ-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68221;MM68221;CC(=O)C=C(C=O)N(C)C;OFEIFUQJGJXBFQ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68222;MM68222;CC(=O)C=C(C#N)N(C)C;SQXPNRPCDSJBLG-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68223;MM68223;C=CC(N)C(=CC)CN;CLQDDGOQGYYXAJ-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68224;MM68224;COC(CN)CCCF;VEBOCPAVKZEIFB-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68225;MM68225;C=CC(CO)C(C)(C)CN;LKTYRPHBSACGBR-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68226;MM68226;CN=C(C)N(N)CCO;FWXNHVXMMYVTBO-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16117;MM16117;CN(C)C(C#N)=CC(=O)O;UTIADRVAKQOAMN-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68227;MM68227;CCC(CN)OCOC;XZRJLFGQQABILK-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68228;MM68228;C#CC(C=NN=C)CN;UMMUIGKFECXPNL-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68229;MM68229;CC(=O)N=C(C#N)N(C)C;SGBJHFMFJGMKAZ-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68230;MM68230;C=CC(C=O)=CCNC;XSDSKBJEEMKULX-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68231;MM68231;C=NN=C(CCN)C(N)=O;SSEJOCZAUQOQLQ-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68232;MM68232;CN=C(C=CNO)CC#N;VGEPAKZHCSUTSG-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68233;MM68233;CC=CN=C(CCO)NN;OVSHBOSCGNVXKA-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68234;MM68234;CCOCC(C)(N)CCO;KNELFDMCDXTHHI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68235;MM68235;CC(=O)N=C(C#N)N(C)O;QMCBOWYBDIKQFJ-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68236;MM68236;CN(N)C(=NC=N)NC=N;JCXSYZCOGDLPQP-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68237;MM68237;NCC(C=CCO)=CCF;HTFLKEPMSLCTDQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68238;MM68238;CNN=C(CF)CC=NN;AOQDPEDIZOUHBJ-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68239;MM68239;C=NN(C=N)C(=C)C(C)=O;ZMKJGCWEOGNBKB-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68240;MM68240;CC(C)N(C)NC(=N)C#N;FXDSYKVPNYBPGP-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68241;MM68241;C#CC(C#C)=CCNC;YMFZBKVHYTVZKO-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68242;MM68242;CCN(CC)NC(=N)C#N;CHSPRUHIZNKMBL-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68243;MM68243;C#CC(=NC(C)=O)N(C)O;RIAUWQQDJBAGPX-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68244;MM68244;C=C(C=CCO)C(=C)CN;NMTJFTQSGLDCPO-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68245;MM68245;C#CC(=NC(N)=O)N(C)O;MLLFDZHFVIVRBB-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68246;MM68246;CN(C)N(C=N)C(C)(C)C;XTZTXEODWYENRX-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68247;MM68247;CNCC(C=O)CF;VNCFXMVPURPOPF-UHFFFAOYSA-N;119.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68248;MM68248;CC(=O)C(=CC(C)O)CF;NHHOYNFXNYYWAB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68249;MM68249;C=CC(=CC(=C)CO)CN;XGCMOACNCQSYKH-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68250;MM68250;CC=NN(C)CC(C)(C)N;WKRINCKHTOBEMS-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68251;MM68251;C=NN(CC)CC(C)(C)N;GHSSHMVDRQVBPK-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68252;MM68252;NCC(C=CF)=CCCO;NMAJEJJFPHPTQW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68253;MM68253;COC(=CC(C)O)C(C)=O;JSYZYSNRIAMNKQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68254;MM68254;C#CC(=O)NC(C)=NC;RUHNXBCVTPPNCW-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68255;MM68255;CC(=O)C(C=O)=CC(C)O;JKUNBNAMYUJYDG-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68256;MM68256;C=NOCC(=O)NN=CC;IYYGBDNUGWGGJQ-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68257;MM68257;CC(=O)C(C=O)=CN(C)C;FIWOQXCINOBJQH-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68258;MM68258;C#CC(C)(C)C(=N)N(C)N;NBZONPQYEZHONB-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68259;MM68259;C=C(CN)C(=C)C(=C)CO;QJNYYIIVABZAHG-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68260;MM68260;CN(C)C=C(C#N)C(N)=O;XNZBBRSOQRITIK-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-cyano-3-(dimethylamino)prop-2-enoic Acid";MM03086;CN(C)C=C(C#N)C(=O)O;IJKHJKMFGZNRIQ-UHFFFAOYSA-N;140.14;0.04;53919459;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68261;MM68261;CN(C=O)CC(C)(C)CN;ZPSSCNJHAOODAH-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68262;MM68262;CCC(N)C=CCC(N)=O;YAGHAJAAQNRHHX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68263;MM68263;C=CCCC(=O)NC=N;VXQBQFNEZJRPAS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68264;MM68264;CN(C)N=C(C#N)C(N)=O;RWCFUAOLKWQOHA-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16499;MM16499;C=CC(=NN(C)C)C(=O)O;RVPYRXBKAYHCQD-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68265;MM68265;C=CC(CN)=C(C)CCO;BECHEFCDAYPKLE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68266;MM68266;N=C(N)C#CC(F)(F)C=O;ILHXVBYHSQFRMH-UHFFFAOYSA-N;146.1;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68267;MM68267;CN=C(N)C#CC(C)C=O;OWXHVKASLUAEIV-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68268;MM68268;C=CC(N)C(C)(N)C=CF;SJFNLFPQJDLJPT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68269;MM68269;CCCCC(=O)NC=N;XIKBRQVABLUUIY-UHFFFAOYSA-N;128.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68270;MM68270;N=CNC(=NN)NN;IVCQEDNGZYEGAE-UHFFFAOYSA-N;116.13;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68271;MM68271;C=CC=CC(C#N)C(=N)N;VEIJMDXFVXCXLG-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68272;MM68272;C=CC(C=O)N(C=N)CC;JQDZCYLFCTWWMP-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68273;MM68273;CNC(=CC(C)=O)C(C)=O;GLSDIWQKHZMHNQ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16313;MM16313;CNC(=CC(C)=O)C(=O)O;IEUZCHIGDGUOPQ-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68274;MM68274;COC(=CC(C)=O)C(C)=O;YTVHVJYYNVRARB-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68275;MM68275;CC(F)C(C)(C)NCCN;DGYDHDIBIOBEQI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68276;MM68276;C=CC(C=O)C(=C)CNC;SXQQIKRUCTVNBX-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68277;MM68277;C=CC(=CC(C)=O)C(C)=O;SYULPGFFBBCMBS-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68278;MM68278;CC(=O)C=C(C#N)C(C)=O;GKTDAQATKVMXOY-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68279;MM68279;CNC(=NN)N(N)C=N;RCXILGLNEKQNDG-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68280;MM68280;CCCC(=N)NC=NN;JUZWOILTSUVZNS-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68281;MM68281;CC(N)C#CCNC(C)C;WQNWBWGFEVHWDK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68282;MM68282;C#CC(=O)CCNC;POQIRDMEZBTFGX-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68283;MM68283;C=CN=CN=CNC(C)=N;KQVBFUCCUIHJEZ-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68284;MM68284;C#CC(=CC(C)=O)C(N)=O;YYHQEIUJSBZOAC-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68285;MM68285;C#CC(=CC(=O)O)C(N)=O;QFNQBLAZLRHNMY-UHFFFAOYSA-N;139.11;-0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68286;MM68286;CNCC=C(C)OC(C)=O;INJYHJGTZOPUIX-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68287;MM68287;CNC(=N)C=NNC(C)C;KBVITYBVQUSCLK-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68288;MM68288;CC(C)=C(CO)CC(C)O;DLFYSELJEQVNSM-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15375;MM15375;CC(C)=C(CF)CC(C)O;YZDIMWKLPPFBJY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68289;MM68289;C#CCNCC(C)(N)C=C;DVAMBGYZHGPKSU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68290;MM68290;CCNC(C)C#CC(C)N;CKHPACOCQJHATM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68291;MM68291;CC(F)C(N)CCN(C)C;NAABTUMCJNIMFS-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68292;MM68292;C=CC(N)C=CCN(C)C;IDKPXHSIHTWBEL-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68293;MM68293;CN(C=N)C=C(F)CC#N;HFUMHTAUKWKSCI-UHFFFAOYSA-N;141.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68294;MM68294;CC(N)=C(C=O)CC(C)F;KCUAPXHKQDUHBW-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68295;MM68295;CC(F)=C(C=O)CC(C)O;ZBENQKDSIPARJH-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68296;MM68296;CC(C)OC(CN)CCF;NLMMHVPVWIYJNX-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68297;MM68297;CC(N)C(=CF)CN(C)C;FGSOUESOMFMRQX-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68298;MM68298;C=C(C=NN)CNCCC;ILAOBQMPDRLMTO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68299;MM68299;CNCCNC(C)=CC=O;MLGLOYIBFILGKJ-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68300;MM68300;C=C(C#CC)C(=N)N(C)N;ROWGBHOXYRZMCN-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68301;MM68301;CC(=O)CC(CO)=C(C)C;ZYIRUDHMWGSIKT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68302;MM68302;C=CCCCC(=O)NC=N;OYSONALJOLCSAC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68303;MM68303;CC(C)=C(CF)CC(N)=O;VURFNZSMDHDQAH-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68304;MM68304;CC(C)=C(CO)CC(=O)O;IZRGZCTYLLVGPH-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68305;MM68305;CC(=O)CC(CO)=C(C)F;ZIPGSPOQSRVBKN-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68306;MM68306;C#CCC(OC=O)C(C)N;XHRGGNFFWYJNNK-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68307;MM68307;CCNCC(C)(C=O)C=O;YCGADNWQIASGSP-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68308;MM68308;COC(CC(N)=O)=C(C)C;ZZCXACIPOBYGOO-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68309;MM68309;COCC(=O)ONC(=N)N;AIGMUZFFPPLQHW-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68310;MM68310;CCC#CC(=NO)NC;MUFQZVKGQKPGAG-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68311;MM68311;C#CC(NN=C)C(=O)NN;LMIMTNNLZUEZQN-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68312;MM68312;CC(C)=C(CO)NC(N)=O;PSLYNYKUIUCHQG-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68313;MM68313;CON(C=N)C(C#N)C#N;WSKLWODNHVSAJA-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01651;MM01651;CCC(NC(C)=O)=C(C)F;ZISMIEMXBVQRGL-UHFFFAOYSA-N;145.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68314;MM68314;CNNC=O;ZIAFMQXEAJYWKJ-UHFFFAOYSA-N;74.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68315;MM68315;N=CN(C=N)C(=N)C(=N)N;PQAYVFYKHFPGKG-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68316;MM68316;CNN=CCC#CCO;WGNRYDZMRQEACL-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68317;MM68317;CCC(F)CNC(C)CN;YCNNYGRIZDVTDI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68318;MM68318;C#CC(=CC=NN)CO;UTFPKGVCGJISOY-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68319;MM68319;C=NOC(C)OCC(C)O;WVCKYJQGBJWPHK-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68320;MM68320;CC(C)=C(C#N)CC(N)=O;ISALSMJYRVGIOR-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68321;MM68321;C=C(C)CC(C=O)=C(C)N;UBZVVROTHGWTJR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68322;MM68322;CC(N)=C(C#N)CC(=O)O;JHICBBDHBODBMP-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68323;MM68323;C=CC(CC(N)=O)=C(C)F;BFGMMCZEIOYRBE-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68324;MM68324;CC(F)=C(C=O)CC(N)=O;WGASHYZIGDQUDC-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16489;MM16489;CC(F)=C(C=O)CC(=O)O;XRHCNYIRZMFNCW-UHFFFAOYSA-N;146.12;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68325;MM68325;CCC(C)OCC(N)CN;YCEHHSHFEHBWGB-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68326;MM68326;CON=CONC(=N)N;UHWURWCATAOJBV-UHFFFAOYSA-N;132.12;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68327;MM68327;C=CC(NC(N)=O)=C(C)C;YFMDIRICMIVHKF-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68328;MM68328;CC(C)=C(C#N)NC(N)=O;GYYCSSRSPIMJTO-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68329;MM68329;CN=CNNC(C)C#N;IGWGRLNLXOATNW-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68330;MM68330;CC(N)=C(C#N)NC(N)=O;INCWUOXJGFMPLK-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68331;MM68331;C=CC(C)NCC(=C)CN;QWFFZWDPAMTLEY-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68332;MM68332;NN=CCC(O)CCF;RSMMLSCBVMLTOT-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68333;MM68333;CC(F)=C(C#N)NC(N)=O;QLAUZOQESBXHPJ-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68334;MM68334;N#CC(NC(N)=O)=C(N)N;RINBOSBBXSZHHA-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68335;MM68335;C=C(C)C(=N)NOCC#N;KSFYEJYUGJSFAH-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68336;MM68336;CC(=O)OC(C#N)=C(C)N;UXZHKZNVRZVSEH-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68337;MM68337;C#CC(=N)NCC(F)C#N;PJRKKRMAKBZSDS-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68338;MM68338;COC(C)CC(CN)OC;ZVGREJHLIYOAEU-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68339;MM68339;CCC(F)=CC(CN)NC;FLQCGVCAPCNGMC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68340;MM68340;CC(F)=CC(C=O)=C(C)N;VTEYPDHSVMOVDQ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68341;MM68341;COC(C=O)=CN(C)C=N;NQVSCOFLPPDDNB-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68342;MM68342;C=CC(CN)NCC(=C)C;SICOSHQSBXAJEF-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68343;MM68343;CC=NNC(=N)CCCN;KEBGBLDHIXQKSJ-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68344;MM68344;CC(O)CCCOCCO;MLGNYLJPENXZDQ-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68345;MM68345;COCOCCCC(C)O;IPENBBUOLUOEJA-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68346;MM68346;C=C(C#N)N=CNC(C)=N;ZAOLEYSNMXDASG-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68347;MM68347;CC=NNCC(=O)C(C)=O;IGLIWUGMHVBEOS-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68348;MM68348;C#CC(=NC)NCC(C)N;BYDZUUKECHPNPI-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68349;MM68349;C=CC(=C)C(N)C(=C)CN;HHPDXHZNDWSUIU-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68350;MM68350;C#CCNC(=N)C=COC;ZADIIVNHHMAEHK-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68351;MM68351;C=C(C#CCCN)C=NO;LWNCBZITDHHQRD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68352;MM68352;CN=CNC(=N)C=CCF;FJLIHBYDHXQOJJ-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68353;MM68353;CCCOCOCC(C)O;MVJQHWCTYLXHHP-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68354;MM68354;CCC(N)C(F)=CNC=N;FINFCLZRYIKREC-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68355;MM68355;CC(=CCC(C)=NO)CN;KSOOMUPMZWPMFU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68356;MM68356;CCCCOCC(N)CN;JGXXEZFQBIRHDR-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68357;MM68357;CC(O)CCCOCC=O;FGFNRYONOHRQPF-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68358;MM68358;CC=CCOCC(N)CN;LIRVMTUHUPWCPP-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68359;MM68359;COCC=COC(C)CN;OUQGDZXRTPAJQG-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68360;MM68360;C=C(C#CCC=NN)CO;NYXIKRBYUHGSTI-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68361;MM68361;C=NOC(C)OCCCO;DNQXWKRZVNIANO-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68362;MM68362;CC(O)COCCCC=O;AFTJVDXRISWGLY-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68363;MM68363;CCNCC#CC(C)NC;RVOHDAWIFSJPHB-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68364;MM68364;C#CC(NC=N)C(=C)CF;XXILSGGUDCPUPW-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68365;MM68365;C#CC(NC=N)C(C)=CF;XDQPGIWQKNYDIF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68366;MM68366;CCOC(CN)CCOC;AQWWIWDTSGKJJJ-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68367;MM68367;CCCC(CN)NCCF;PGEBHXQTBNLCAR-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68368;MM68368;C=NOCC(=O)C=NNC;VAFLJUOEYWIPEG-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68369;MM68369;C=CCOC(CN)CCF;XMEXECGNGNVVOD-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68370;MM68370;C=CCNN(C=N)CC=C;PJQCVXRUFLEEOD-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68371;MM68371;CNC(C=CF)CCCF;WHNROGBJTIJQSK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68372;MM68372;CNCC(=CC=NN)CF;RYUPVSDQHGLXGG-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68373;MM68373;C#CCOCOCC(C)O;CQQFELNQTVORRK-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68374;MM68374;C=C(C)C(NC)C(=C)CN;CEYWNKTZTRPWII-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68375;MM68375;CNC(C)C(CN)=C(C)F;LLWOITSLYIRQNH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68376;MM68376;CNN=CCC(=O)OC;IZSXMEKUDTWGPG-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68377;MM68377;C=CCNC(CN)C(=C)C;QLTSQQQFWNLQPQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68378;MM68378;C=C(C)C(C=O)=CCNC;KLUAQOFPTREKJA-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68379;MM68379;C=NNC(C=O)CC(C)F;WHVHQAFEVXDQIG-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68380;MM68380;CCNCC(CN)=C(C)F;YLZCSJKGNRXBCQ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68381;MM68381;C=CCCC(CN)=C(F)F;UQLJVBJWSKRPJT-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68382;MM68382;CCC(C=C(C)CN)=NO;SVAKKYVWJORVGZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68383;MM68383;COCCOCCC(C)=O;UAGFHRSQQDYHEE-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68384;MM68384;COCCCC(CN)OC;KVHAOVAPJTXLLH-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68385;MM68385;CC(C=CCN)=NO;RUCHXHGRDLTTBC-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68386;MM68386;C#CC(C=NN=CC)CN;ZCVNWIMVLMBMQN-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68387;MM68387;C=C(CNC)C(CF)NC;CEJZMOGOHMNHFD-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68388;MM68388;C#CC(O)C(=N)NCCC;MEIBMXGVDWTOEG-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68389;MM68389;CCOCCOCC(C)=O;GEYHOHRBQRTICB-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68390;MM68390;COC(C)CN;UANWURKQKKYIGV-UHFFFAOYSA-N;89.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68391;MM68391;CN(C)C1CC1;DYVUNUQDYHPXSU-UHFFFAOYSA-N;85.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68392;MM68392;CCOC(C)CN;YFBZSYRSVUOGPF-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68393;MM68393;C=C(C)OCCOCOC;QUCNAXDAZLURLS-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68394;MM68394;CNCC(O)(CO)C(C)C;DOEYXSSYXVEUEJ-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68395;MM68395;C=C(C=CC#CCO)CN;OSQDPQWAFNNMIN-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68396;MM68396;C=C(CN)C(F)F;GZWHVOMQPCXNRW-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68397;MM68397;CC(=O)CCCOCC=O;HHOXZXLQPOOSAV-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68398;MM68398;CC(=O)CCCOCC#N;DMIDUHVZUDGGLA-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68399;MM68399;CN=C(C#CCO)N(C)C;IRPKAGVIMKXDPR-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68400;MM68400;CC(=O)CCOCCC#N;IMIYYWOBWPUVOW-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68401;MM68401;N#CCCOCCC(N)=O;XAHZWJPJLGDLRZ-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68402;MM68402;C=NOC(CC=NN)=NN;SATGUCZCGUSGOO-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68403;MM68403;C#CCC(O)(CC)CN;GYYOWAWGAJQFDH-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68404;MM68404;CC(CN)=C(F)F;XOHGELVIENZGAV-UHFFFAOYSA-N;107.1;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68405;MM68405;NCC(=CF)CF;KZVZYCQQDSZMGU-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68406;MM68406;CNCC=COC;IHNHQYUNFBMNEQ-UHFFFAOYSA-N;101.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68407;MM68407;N#CCCCOCC(N)=O;KUZLBJZILGPHDN-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68408;MM68408;C#CC(CC)C(C)(O)CN;AGOZMBNDUZEZBA-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68409;MM68409;C=C(C)COCOCC=O;WZDMPHNSNKUKGM-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68410;MM68410;C=CCOCOCC(C)=O;HRGQTHVXGUKVPL-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68411;MM68411;CC(=O)COCOCC#N;JQCVENUWNSQNKO-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68412;MM68412;C=C(C)COCONC=O;BLAOPMMPGIBSKM-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68413;MM68413;CC(=O)NCCCCC=O;CMKXYMURJCKXEU-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68414;MM68414;CC(=O)NCCCCC#N;NIXKQRHFGWCZMQ-UHFFFAOYSA-N;140.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68415;MM68415;C=NNCC(C)(C)N;LNTSXCSQERBBIV-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68416;MM68416;C=CC(C)(N)C=CF;IFHZBLQMVVYSSE-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68417;MM68417;C=COC(=C)NC=N;AGKIHHDMMRBABX-UHFFFAOYSA-N;112.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68418;MM68418;COCOC(C)CN;YKARUMNJDZLCBA-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68419;MM68419;C#CC(C)C(C)(O)CN;APHMEUHHDBAIPI-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68420;MM68420;C=CCOCCOC(N)=O;PSEFLGSBJRRRJB-UHFFFAOYSA-N;145.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68421;MM68421;N#CCOCCOC(N)=O;RHBSOBIMAAWWEV-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68422;MM68422;C=CCOC(C)CN;PKIQCQJDGKHCAS-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68423;MM68423;CC(=O)OCOCCC#N;HFPCTJFXWRMNTI-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68424;MM68424;C#CCOC(C)CN;WCVPODXIRPCSGZ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68425;MM68425;C=CCCOCOC(N)=O;ZWXPESHBCUXESH-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68426;MM68426;C=COCOCOC(C)=O;BHVYQLCGSYCVKS-UHFFFAOYSA-N;146.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68427;MM68427;CN=CNC(C)=NC;ILMMSOKRKGARTL-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68428;MM68428;CNCC=COC=O;PFFVUGQZBXDWLZ-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68429;MM68429;C#CCCOCCC(N)=O;OEWBORMRCMUOJI-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68430;MM68430;C#CCCCOCC(N)=O;FKYLRPVJZFBKAZ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68431;MM68431;CC=NNCC(C)(C)N;BXYODAGFQQRCJK-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68432;MM68432;CNC(C)(C)COC=O;GXAZBRSMBIBAJK-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68433;MM68433;CCC(C)(N)C#CCN;PRSQDYIGFOPMAJ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68434;MM68434;CNCC(C)(CF)NC;AZLABEIPNWPEKO-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68435;MM68435;COC(C)CN(N)C=N;CILMGTJGWRRCDK-UHFFFAOYSA-N;131.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68436;MM68436;C=CC(=C)CN(N)C=N;QGUROENXONBBDZ-UHFFFAOYSA-N;125.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68437;MM68437;CC#CC(C)NCCN;ATBAJFCQFPYNHP-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68438;MM68438;N=CN(O)C=NC(=N)NO;RVRWDFZRKIKLFG-UHFFFAOYSA-N;145.12;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68439;MM68439;CN(C)C(=N)N(N)C=O;TWKZVLJPMRXZCK-UHFFFAOYSA-N;130.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68440;MM68440;CCOCOC(C)CN;GUOZBQFKBXMLAA-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68441;MM68441;COCC(CN)=C(C)F;ICDRYXQNIBVPFR-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68442;MM68442;COC(C)C(=CF)CN;SRQXSTXQWFMRPD-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68443;MM68443;COC=CN(O)C(=N)N;RCTJVOVSPNFFRN-UHFFFAOYSA-N;131.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68444;MM68444;CCC(O)C(N)(CC)CO;JSPPSSWFBJYYTP-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68445;MM68445;CC(C)(O)C(C)(N)CO;NHRGJIDYBIAPLL-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68446;MM68446;CC(O)C(C)(N)C(C)O;KFSOKSKYVDCQOY-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68447;MM68447;CCCC(N)(CO)C(C)O;JLLVNFTYDHTQEP-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68448;MM68448;CC(O)(CN)CN;CZQZKJOXYDUHCW-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68449;MM68449;C=NNC(C)C(=O)C=O;QCGJGEXQZCNYEV-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68450;MM68450;COC(C)=C(CN)CF;KOENQGUUHKQSHM-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68451;MM68451;CNCC=COCOC;RICUXLMMWWIPOM-UHFFFAOYSA-N;131.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68452;MM68452;CN(C)CC(C)(N)C=CF;MVRXKLJGHSUKBV-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68453;MM68453;CC=NN(C=NNC)CC;YKPFRQVZJGNXKJ-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68454;MM68454;CC(O)COCC=CCO;RQDOZJWWGLBVDM-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68455;MM68455;CNCC(C)(N)C(C)(F)F;ZQUVSOIWRMSLFJ-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68456;MM68456;C=C(C#CC(C)(C)N)CN;SNCCUPYMJRCTTR-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68457;MM68457;CC=NN(C)C=NN;MANQWGJVBBYUAU-UHFFFAOYSA-N;114.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68458;MM68458;CCC(C)C(N)(CO)CO;CFTBZKPBTJOCNB-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68459;MM68459;CCOC=C(CO)NC=N;IGPGSIMLEDKVMC-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68460;MM68460;CNC(=NN)NC(=N)NO;UZXSUGWETJKDEE-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68461;MM68461;CC(O)COCC=CC=O;NMWCCKQAHWMOJU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68462;MM68462;CC(O)COCC=CC#N;OWTXJVDDWZRSNF-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68463;MM68463;CNC(C)(C)C#CC(C)N;NEGLZNHQOVGEML-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68464;MM68464;C#CC=NNCC(C)(C)N;CWTCUTNFCJCONE-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68465;MM68465;CC(C#CCN)CN(C)C;GQPQNRJPADDUMY-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68466;MM68466;C#CC#CCNC(=N)NO;LIQNMPBYDWSAJN-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68467;MM68467;N=CNNC(=N)C(=N)NO;RTIIVOTZPUJUSP-UHFFFAOYSA-N;144.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68468;MM68468;CCNC(C)(CF)CNC;CCWAGTAIOJKXHL-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68469;MM68469;C=NOC(=NC=N)NCC;UJGJGUQVMJJVII-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68470;MM68470;C=C(C)CNCC(C)(C)O;LTJPDURWQJIUOX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68471;MM68471;C#CC(C)(C)C(N)CO;FDMQJRZKFNFYKE-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68472;MM68472;C=CC(C)ON(C)C(C)=N;BGDVBMFCUDTTMQ-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68473;MM68473;C#CC(C)OC(=N)N(C)C;ITJWXMHNKJKDHC-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68474;MM68474;CC(C)(C)C(N)CO;JBULSURVMXPBNA-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68475;MM68475;N#CCNCC=O;IUBROSWTXSEKEB-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68476;MM68476;CNCC(N)C#CC(C)C;BPYYSMPHISJGHY-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68477;MM68477;C=CC(C)C(=O)CN=CN;KEFKICZEXRSIIW-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68478;MM68478;CC(C)OCOC(C)CN;ZGXPPERVCKAOAY-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68479;MM68479;C=C(C)C(N)C(C)CO;WUCOYSHBGRCXPX-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68480;MM68480;C=C(N=CNC(C)=N)OC;ZWCJLLFPVKBLFT-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68481;MM68481;C=NOC(C)OC(C)CN;IWHRVKSLQOGDMF-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68482;MM68482;CCOC(C)CN(N)C=N;MFJUCYRDTSXGCO-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68483;MM68483;CCNCC(CCO)OC;STJJYROGFZMWKI-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68484;MM68484;CNCC=C(C)CC(C)=O;COZUYSWSSUKJJI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68485;MM68485;C#CC(C=CCO)=CCN;HOKTYMMPYHPRGI-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68486;MM68486;CC(=O)NCCC=CCO;VCCFPMUPCJPRHO-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68487;MM68487;C=CC(CNC)NC(C)=O;YQUQNZPVVDALOU-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68488;MM68488;CC=CC(C)OC(C)CN;JPHLLQKFGRGMQT-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68489;MM68489;C=C(C)C=C(CF)CNC;RUGPADVDELNRSB-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68490;MM68490;C#CC(NC(C)C)C(C)N;UVCZVCNOYMWUNN-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68491;MM68491;C=C(CN)C(C)=CCO;OGHUXACBXLSRME-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68492;MM68492;C=C(CNC)CNCCF;MPIHMDZFRCIRQV-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68493;MM68493;C#CC(=CCN)C(=C)CO;DFORXNZBAOOCIB-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68494;MM68494;CC(=O)CCNC=CC=O;XOXSBVKFVOUIBZ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68495;MM68495;C=C(C=CC(=C)CO)CN;FBFNOZBXHOQWIH-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68496;MM68496;C=CC(O)C=CC(=C)CN;MHAXIUIQDLYJFE-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68497;MM68497;C=CC(=CCCO)CN;NZYGBBGBGMLVBW-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68498;MM68498;C=C(C=CC(C)O)CN;GPXYKAHDKDDSET-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68499;MM68499;N#CC=NNCCC(N)=O;SJZOLBJMPWGFGX-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68500;MM68500;C#CCC=CC(=N)NOC;LVPBPPULPKOANC-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68501;MM68501;N#CC=COCCC(N)=O;WNXPQXTWTDLNIS-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02773;MM02773;CC(=O)CCON=CC#N;QPGBIFUTBWNZIM-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68502;MM68502;C=C(CN)C(=C)CCCO;ITEPXUKLCBTPIK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68503;MM68503;C=C(CN)C(C)=C(C)CO;TYNULTKXOCTBDR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68504;MM68504;CCCC(C)(N)CC(N)=O;DBRBCTFRIPQIST-UHFFFAOYSA-N;144.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68505;MM68505;O=CC=CCOCC(=O)O;ZQAHHYLKPAMXDL-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68506;MM68506;C=CNC(=N)N(C)CC#N;FHFOVKXGHJJELJ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68507;MM68507;C=C(CN)C(=C)CCO;RJKIFCRKMHDUAH-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68508;MM68508;C=CN(C=N)C(=N)C(=C)C;UNNLWSPBMMRQFU-UHFFFAOYSA-N;137.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68509;MM68509;N#CC=CCCNC(N)=O;PLCMSYVSTVKNFM-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68510;MM68510;CC(=O)NOCC=CC#N;TWFAQZQNTFBOIF-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68511;MM68511;C=C(C)C(N)C(=CC)CN;BBDYKMYOUCQSOK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68512;MM68512;NC(=O)OCCC=CC=O;FRDMMVATDYMOKC-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68513;MM68513;C=NN=C(N(C)C)N(C)C;KVFXRSXCGPRIDU-UHFFFAOYSA-N;142.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68514;MM68514;CC(=O)OCOC=CC#N;GZQCYTCRBMAWTE-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68515;MM68515;C#CC(CF)OC(C)CN;RUWJSIASAVELKJ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68516;MM68516;C#CC(C#C)OC(C)CN;KJALFZCGKXNYLS-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68517;MM68517;N#CC=COCOC(N)=O;FYWWKXWWDYTVTE-UHFFFAOYSA-N;142.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68518;MM68518;C=NN=COCOC(C)=O;QCMYFIDDFWTOHB-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68519;MM68519;C=NN=COCOC(N)=O;KFRHLFSUILHAIA-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15935;MM15935;C=C(C)OCON=CC#N;YBYJXUIAXQRXJJ-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68520;MM68520;CC(=O)OCON=CC#N;RVERQVZBIKZIIM-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68521;MM68521;C=C(CN)C(C)=CC(C)O;OTEKGALMJZYHBK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68522;MM68522;CN(C=N)C(=NN)NN;BEILTJJGMZNREN-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68523;MM68523;CNC(CF)CNC(C)C;OCEPSXHHSQJIRU-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68524;MM68524;C#CC=COCCC(N)=O;VHGXJMNZLNYALT-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68525;MM68525;C#CC=CCOCC(N)=O;LSVQAUDLLXJKCH-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68526;MM68526;CNC(C)C(C)=C(F)CN;MWWVYNDYTJRVLJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68527;MM68527;CCCOCOC(C)CN;BEMFQHGPOFUXDS-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68528;MM68528;C=COCONC(=N)C=C;YTQURFHTSAFLKU-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68529;MM68529;CC=NOCOC(C)CN;MJYVNUXBYKXUSR-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68530;MM68530;CNN=CCOC(C)CN;ZEGFGOSYHJMZMD-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68531;MM68531;C=C(C=CC(O)CC)CN;LCCMNAGPVDXVDQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68532;MM68532;C=NN=CCOC(C)CN;ZVQVEPGURYPFNV-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68533;MM68533;CNCC=COC(=O)CF;XNUJITOYKCDLGU-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68534;MM68534;CC(O)COCC#CCF;DRXFQYRLSZTVTD-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68535;MM68535;C=C(CN)C(=C)CC(C)O;IOJVEAVNDKCQKX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68536;MM68536;CC(O)COCC#CC=O;LDOJMGMHRSRTJN-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"7-hydroxyhept-5-ynoic Acid";MM03701;O=C(O)CCCC#CCO;YVZAOBOYHMHYKV-UHFFFAOYSA-N;142.15;0.24;5312815;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68537;MM68537;CNCC=COC(=O)OC;XPZCEGHEUIVQFA-UHFFFAOYSA-N;145.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68538;MM68538;CNC(=NC=O)N(C)C;LYYHLLVIWOMKIE-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68539;MM68539;CNCC=COC(=O)C#N;WJVRPWITMOLKTG-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68540;MM68540;C#CC(=O)OC=CCNC;NIWVLZLDPKZNNG-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68541;MM68541;C#CC(=O)CN(C=C)C=N;XZORSSVFSWLJPS-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68542;MM68542;NC(=O)OCCC#CCF;LHPYFVFFUQUMJP-UHFFFAOYSA-N;145.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68543;MM68543;CCCC(OC)C(N)CN;QCBMUJMGOAKYAP-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68544;MM68544;N#CC#CCOCC(N)=O;DMZKJUWYHLDAMH-UHFFFAOYSA-N;138.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68545;MM68545;N#CC#CCOCC(=O)O;OPXXXISBZFMOMY-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68546;MM68546;CCOC(CC)C(N)CN;BIDOLRJZNMHRMD-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68547;MM68547;C=CC#CCCNC(N)=O;LPTNGDWVMBBHMC-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68548;MM68548;N#CC#CCCNC(N)=O;JKGRVAUXHAGACI-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68549;MM68549;CC(C=NN)OC=NN;GHYUPGKAXVPHSU-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68550;MM68550;CNCC=C(C)CC=O;DWJKLVUAOBXBOK-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68551;MM68551;C#CC(NCC)C(N)CC;GHYRBSUUWAFKLO-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68552;MM68552;CC(=O)NOCC#CC=O;WAXVLLVOIRSZNZ-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68553;MM68553;CC(=O)NOCC#CC#N;GUAKZUOJOCNSST-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68554;MM68554;CNN=CNC(=N)C(C)C;BBGXREGURFKUAF-UHFFFAOYSA-N;142.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68555;MM68555;N#CC#CCONC(N)=O;LAEMWYLOLUUQCO-UHFFFAOYSA-N;139.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68556;MM68556;NC(=O)OCCC#CC=O;KBTQKQNJPHAJHU-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68557;MM68557;N#CC#CCCOC(N)=O;ZRLZSVBSYIUHOR-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68558;MM68558;CCNN=C(NN)NC=N;KTUVTIZTFLBEBR-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68559;MM68559;C#CC#CCCNC(N)=O;LIKZTMKNYXZWFM-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68560;MM68560;CCC(F)=C(CN)COC;JIFIQOTTZDYGOI-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68561;MM68561;C#CC#CCNNC(C)=O;LNIYMEQKUBVHEH-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68562;MM68562;C#CC#CCNNC(N)=O;UZRWIRLCUMJIPA-UHFFFAOYSA-N;137.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68563;MM68563;C=CC(=NN=C)NNC=N;GZYKOHZYHMDYON-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68564;MM68564;C#CC#CCONC(N)=O;XDQPCALLSLGJGT-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68565;MM68565;CNN=CC(=N)NC;LQGNQMQKKQVCHS-UHFFFAOYSA-N;114.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68566;MM68566;C=CC(N)=CC(=NC)NN;AAUMIYLFCQJSJS-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68567;MM68567;C=C(F)C(=CC)C(N)CN;OCBWJQSZGGRXQG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68568;MM68568;C=CC(C)(C#N)C(=N)N;TZOKOLINEBGEFP-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68569;MM68569;CONC(=N)C(C)CC#N;MTMDGGFVHKJQAS-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68570;MM68570;C=C(C=NNC)C(=N)NN;HTYYIJNXFZQFRN-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68571;MM68571;CC(C)C(CF)NCCN;OSWZBOWZIULPOJ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68572;MM68572;CNN=CC(C)OC=NN;WYDDBPRMTVFHMP-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68573;MM68573;C=NN(C=NC=NN)CC;OCSRHZIKVJYFQB-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68574;MM68574;CC(O)CCC=CNC=O;FAZXVIQCGNFZSA-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68575;MM68575;CNCC=CCC=NO;MQJJXTGUJWUULN-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68576;MM68576;CCC(NCCN)C(C)F;CGEFMRLAIZEEBW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68577;MM68577;C=CC(CC#CCN)NC;IABTVROPCXZOKE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68578;MM68578;C=NNC(=NC)OC;ZLCCMWQXVJDMFY-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68579;MM68579;CN=C(NC)N(C)CC#N;XVRFQJMCYZNLHN-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68580;MM68580;NCC=CC=CC=NO;KROYGOIFMSAMDF-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68581;MM68581;C=NN=C(C=O)CNN=C;VGKKUVJZHJLZIC-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68582;MM68582;CNCC(O)(C=CF)CF;WLTKBCDJRNLPSZ-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68583;MM68583;N#CCN=C(NO)NO;NIMNEXUVKFSRCW-UHFFFAOYSA-N;130.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68584;MM68584;C=CC(C)CC(=O)NC=N;YNJDAESUWGCIJQ-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68585;MM68585;C#CC(C)(O)C(N)C(C)C;HIZLVTHHDWAYAC-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68586;MM68586;CC#CC(F)=C(CN)CN;QDYXVLXADLWYDE-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68587;MM68587;CNCC=COCCC#N;KWQFGMKZGATZSI-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68588;MM68588;C#CC(O)CN(O)C(=N)N;SAGIAZBXAQFMOM-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68589;MM68589;CNNC(=O)NNC;PNJKBEIMAYZIHO-UHFFFAOYSA-N;118.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68590;MM68590;CC(C#CCO)=CCN;OYAUNKRXNSAMMN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68591;MM68591;CNCC=COCOC=O;FISGHGQQIQZRAM-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68592;MM68592;C=C(CN)C(C)C#CCO;RHJDQYXHJKIXCX-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68593;MM68593;C=NOCOC=CCNC;MEJSIPPIRXIVSN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68594;MM68594;COCC=COCC(C)=O;YULFOMMJGPDBDW-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68595;MM68595;CNCC=COCC=NN;FCTGOZUWYRSCMB-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68596;MM68596;C#CC(O)CC(C)(C)CN;HTVBQPKFVHKMQQ-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68597;MM68597;NC1CC1N;DQSBSLFFVASXRY-UHFFFAOYSA-N;72.11;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68598;MM68598;C=CCC(O)(CN)C(C)C;FOBKHQMSPRTYNQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68599;MM68599;C#CC(C#C)CN;GWGCQRMVIWCBQP-UHFFFAOYSA-N;93.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68600;MM68600;CCNN=CONC(C)=O;RWRXBQANNYTEBU-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68601;MM68601;CC(=O)CCC=CNC=O;PRAKQJKCLGGJAT-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68602;MM68602;CN=CN(O)C(C#N)=NC;WEHSVWWENIMPPK-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68603;MM68603;C#CC(C=C)C(O)C=NN;UZMYQAMLEULEMR-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68604;MM68604;CC1C(C)C1(O)CN;WPHVZRYVZGQOJL-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68605;MM68605;CC(C)(CN)CC(O)CO;NTRCMJGIMBSFIW-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68606;MM68606;N#CCC=NNCC(=O)O;YDKRBPBQDKLNAG-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68607;MM68607;C=CCC(O)(CN)CC=C;WZMOMSZBBJYAOE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68608;MM68608;C=CC(C=C)C(C)(O)CN;HEIGISDEFNRYEC-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68609;MM68609;CC(C)NCC=CNC=O;NGQKRCIUWXERBG-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68610;MM68610;CC(=O)COC=CCC#N;HLHKATSEFJZDEB-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68611;MM68611;C#CC#CC(=N)NC;LIVJUFDNNHVHIB-UHFFFAOYSA-N;106.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68612;MM68612;N#CCC=COCC(N)=O;GVEZIYOKNQPZEM-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68613;MM68613;C#CC(CC)NCC;WSMAVIJAJXYNAW-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68614;MM68614;CC#CCC(C)(O)CN;NTDYFAILKXGOQF-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68615;MM68615;C=CC(=NC)NC=N;JDNZVVDYKWYTCI-UHFFFAOYSA-N;111.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68616;MM68616;CCC#CCC(C)(O)CN;FQZZDMAYNBPDGU-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68617;MM68617;COC=C(CN)CF;HQCXYZXIEVTYIR-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68618;MM68618;CC(=O)NCC=NNC=O;SOGRJXINDPAXQE-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68619;MM68619;C=CCNC=NNC(C)=O;GPGRUWLPIABDPQ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68620;MM68620;C#CC(C)C(O)C=NN;ZGSIBAVSVXWGFN-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68621;MM68621;C#CCC(C)(O)CN;AZAJPPXASIXXCK-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15413;MM15413;C=CCC=CCOC(N)=O;ODWCZJSJJQKFTN-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68622;MM68622;C=C(C)C(C)(N)C(C)O;TUYXNSDMLWTRII-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68623;MM68623;C=NNC=CC(=O)C(C)O;UBJGHFBWUZYATD-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68624;MM68624;CC(O)C(=CC#N)NC=N;RXQPWYZLLWFAHW-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68625;MM68625;C#CCC(N)C(C)(C)O;BWAHWSIDFAFXNH-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68626;MM68626;C#CCC=COCC(N)=O;AURLTWFSEMHJSV-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68627;MM68627;C#CCC=CCNC(N)=O;PZKYMNFDKFTBDL-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68628;MM68628;C#CCNC=NNC(N)=O;YIORZGYEVCKJFQ-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68629;MM68629;C=C(CN)CN(C)CC;ABYUMLCTNGJECX-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68630;MM68630;C#CC(C)C(N)C(C)O;PMUGVBXICFXYNE-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68631;MM68631;CCC#CC(N)CNC;GTSYRDYKXZWFOC-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68632;MM68632;C#CC(C)=CCC(=N)NO;KJCLNZXRPMJZHL-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68633;MM68633;CC(O)COC=CC=NO;DWBYXJXQCJVLNK-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68634;MM68634;C=C(C)CNC=NC=NO;NOKABDAEBRDPKE-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68635;MM68635;CC(O)C(F)CC=NN;IBMUJUCKAOWPMV-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68636;MM68636;CC(C=CC#N)C(=N)NO;ZHNAYQKRVGETBU-UHFFFAOYSA-N;139.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68637;MM68637;CC(=O)COC=CC=NO;WFUQQPKXFFTVGE-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68638;MM68638;C=C(CN)C(C)N(C)C;MDLFTVMQKRJUHY-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68639;MM68639;C=CC(=NCCCN)NO;KMMKUYVGHDQQST-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68640;MM68640;CC(C)=CC(=N)NO;KWFHUGHESSHHBS-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68641;MM68641;CC=NN=CONC(C)=O;JPAZVXAQSZKPIY-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68642;MM68642;C#CCC=CC(=N)NO;RVDSLNGGWKDADM-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68643;MM68643;C#CC(CO)CNC;ZCKXORBQNGMPSF-UHFFFAOYSA-N;113.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68644;MM68644;C=C(C)C(N)C(=C)CN;HRIPQIALEKGHKA-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16441;MM16441;CC#CC=NNCC(=O)O;KJTBYOGJFWKBEK-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68645;MM68645;CN(C)C(=N)OCC#N;ZJWDXYMUQMYZRZ-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68646;MM68646;CC#CC=COCC(N)=O;UEJWIWUNQCWDFD-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68647;MM68647;C=C(C=NNC)C(C)N;CVPIKNGFLONGDF-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"7-hydroxyhept-4-ynoic Acid";MM03724;O=C(O)CCC#CCCO;ACYPLZQFTUPVKP-UHFFFAOYSA-N;142.15;0.24;10034720;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68648;MM68648;CCNCC(C)=C(C)CO;IMKHSAJLFHYGGR-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68649;MM68649;C=C(C=NOC)C(C)N;QHIHDUZNTBJMMO-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68650;MM68650;NC(=O)OCC#CCCF;ZVCKOMJDFYIAFN-UHFFFAOYSA-N;145.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68651;MM68651;CCNC(C=CF)CN;NQDHRXTYSLGWPS-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68652;MM68652;C=C(C)CC(=O)CN=CN;BODGBDAOJGVHEB-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68653;MM68653;NC(=O)CCC#CCC=O;JHMJLWKZISFHSM-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68654;MM68654;C=CCN(C=N)C(C)=N;MYPWUEMVAXPWRB-UHFFFAOYSA-N;125.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68655;MM68655;C=NNC(=NCCO)NC;HJYMBAXPFFYOOZ-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68656;MM68656;C=CCC#CCNC(N)=O;KGELXKBCRJFGQS-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68657;MM68657;N#CCC#CCNC(N)=O;MHBQQMXIQTUAAP-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68658;MM68658;N=C(N)C#CC(F)F;BDISSTVQXDBYQQ-UHFFFAOYSA-N;118.09;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68659;MM68659;N#CCC#CCOC(N)=O;MALRSKXOZSXCEN-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68660;MM68660;CCC(C#N)N(C)C=N;KNLXZKUCUMCHLH-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68661;MM68661;C=COCC(=CF)CN;WPOCIISHVBAADK-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68662;MM68662;C=COC=C(CN)CF;VTBLMCOHFDHKQE-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68663;MM68663;C=CC(C)(N)C=C(F)CN;HSWPCPQOHWYAPL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68664;MM68664;C=CC(C)(N)COC(=N)N;JJORTDGDBIUFFU-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68665;MM68665;C=NN=CC(N)C(C)(C)N;TZJILIXDVBECFA-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68666;MM68666;C#CC(C)(CN)CC(C)O;BLAAFCNQBLOKNN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68667;MM68667;CNC(C)CC(=O)C(C)=O;DGSLFNBDJDVYHU-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68668;MM68668;CC(C)(N)C(N)C#CCF;UDQGLYHLOYECIH-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68669;MM68669;CNC(C)(CC=O)CCO;MONUMUYQTNCLHI-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68670;MM68670;C#CC(C)(CN)CCO;OIXSQOUUZYTFAP-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68671;MM68671;CC(C)(CN)CCO;INBMMXYCODJFAA-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68672;MM68672;C=CC(C)(N)C=COC=O;MPAIFZKLVIDZSU-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68673;MM68673;CNC(=N)NN=CC(=N)N;NOMXMQHHRVHMHP-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68674;MM68674;C=CC(C)(F)C(=C)CNC;DUOIRPXNMMUQNG-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68675;MM68675;C#CC(=C)C(=N)NCC=O;ZMXVTLDFZIMQOK-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68676;MM68676;CCNCC(CC=O)NC;RQBMKGGUHKWQQD-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68677;MM68677;C=CC(C)(CNC)OC=O;BNUSTGOIRPUDRG-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68678;MM68678;C=C(C=NN(C)C)C(C)N;UIJWBYQVUSAUSW-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68679;MM68679;CC(C)(CN)CCC(N)=O;XGXREFXHNFOOGY-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68680;MM68680;CNC(C)CC(=O)C=O;PFYPDSZHKPMKRK-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68681;MM68681;CN=C(CC#N)N(C)C;XBSDFECLBSGDBY-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68682;MM68682;CONC(=N)NC=N;JXNCORZMHCXHFD-UHFFFAOYSA-N;116.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68683;MM68683;C=NN(C)C(=N)NNC=N;KAVAZHNGRGVMOV-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68684;MM68684;CCCONC(=N)NC=N;VTZOKFUPJNXWBY-UHFFFAOYSA-N;144.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68685;MM68685;C=CC(N)CC(C)=NNC;IUHOYPUAUUBXFQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68686;MM68686;C#CC(=C)C(=N)NC(C)=N;KNKBSGVNPCCLGA-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68687;MM68687;C=C(C)CN(CC)CCN;QOAVNWHPAILKLV-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68688;MM68688;CNN=C(NN)N(C)C=N;PNYCCUAFQBMZDT-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68689;MM68689;CCN=CN(C)CC(C)=O;IRBXQFLYRAFKSQ-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68690;MM68690;CCNC(C)CNCC=O;VTXHYFSVFQQMOE-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68691;MM68691;C=NNC(=N)CC(C)CN;WMPLRCRWWCOEPA-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68692;MM68692;COC=C(NC(C)=N)OC;ABGIZGOWDOAVFJ-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68693;MM68693;CCNC(C=C(C)F)CN;MIPMYROCIJQDFN-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68694;MM68694;CONC(=N)CC=CC#N;YLLCUWOUGAFQGF-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68695;MM68695;C=C(OCC)C(=N)NC=N;ORMGYFPYGCXZEH-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68696;MM68696;NCC#CC(F)CC=NO;SWGIDONPZWXGFU-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68697;MM68697;COCOC=CCC(C)=O;GVXWYEYMAIVWQV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68698;MM68698;COCOC=CCC(N)=O;PMVGCVSWIRCYOY-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68699;MM68699;CC(=COCC=NO)CN;UEQHAUNWBNLBGS-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68700;MM68700;C#CCN=CN(O)C=NN;NAQJFQJSTZURND-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68701;MM68701;CCC(C#N)N(C)C(=N)N;OENLPHJWXXWIMM-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68702;MM68702;C=C(C=NNCC)C(C)N;LMCVEVVFYCPUAG-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68703;MM68703;N#CC(C#N)COC(=N)N;BVGVLLGLSWLYNC-UHFFFAOYSA-N;138.13;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68704;MM68704;C=C(C)C(C)N(C)CCN;BWKKXIBPWAGIPS-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68705;MM68705;CNCC(CC#N)COC;KATYKBQPIXNDIL-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68706;MM68706;CCCN(CC#N)C(=N)N;RDZJRLMNQVJRHW-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68707;MM68707;CC(C)N(CC#N)C(=N)N;FKNNIMFCXHHNHD-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68708;MM68708;C#CC(C)(C#C)C(N)CN;HCTIIGZMDDSQMG-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68709;MM68709;C=CNC(=N)C(C)C#N;XENACCFZMOMPMP-UHFFFAOYSA-N;123.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68710;MM68710;CCCNN=CNC(N)=O;ZYEKQWGFHUCIIP-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68711;MM68711;CCNN=C(C)C(C)O;GTMHBGJKIAUHRG-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68712;MM68712;C=CCOC(=NC=N)NO;CSNRKCXLOYKVRS-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68713;MM68713;C#CC(C)(O)CNC(C)C;MGGSIHUTEOCPFC-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68714;MM68714;CCOCC=NNC(N)=O;UMPMHOSOAAXTPK-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68715;MM68715;COC(=N)N(O)C(=N)N;AZYFVQJEFVEYOQ-UHFFFAOYSA-N;132.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68716;MM68716;CC(=CC#CCO)CN;OVCBNEHAERCUHF-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68717;MM68717;C=NNC=C(CO)C(C)=O;TWIYFESWQMNDCX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68718;MM68718;NCC=CC#CCO;ADPARSPKBAYAQZ-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68719;MM68719;CCCOC(C)(CN)CN;WGVLBVHVEDVTPA-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68720;MM68720;CC(=O)OC=C(CN)CF;QSIYBVUTRBVSPB-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68721;MM68721;C=C(CC)C(N)C(=C)CN;QXHWXEOTFWLQHW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68722;MM68722;CCCOC=NOC(N)=O;ROHMIXZVRCWZLH-UHFFFAOYSA-N;146.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68723;MM68723;CNCC=CC#CCO;DNGGIOPGYCVHFT-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68724;MM68724;CC(=O)CC=CCOC=O;GGRPEOBDGNEWAC-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68725;MM68725;CC(=O)CC=COCC#N;LQKDKKSDWNGWCP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68726;MM68726;C=CN(N)C(=N)C=COC;ONBNIACEFYZEKJ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68727;MM68727;C=C(CN)CC#CCO;QOIYRSDEJNBMNI-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68728;MM68728;C=CC#CC=CN(N)C=N;JSMNIBNIBHVDNO-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68729;MM68729;C=C(CN)C(OC)OCC;RDPGUZPVXZALCZ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68730;MM68730;N#CCCC=CNC(N)=O;YRCOPICPIUXOSF-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68731;MM68731;CCNCC(C)(O)CO;NPZOFPRQVQCQPO-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68732;MM68732;C=COCC=CNC(N)=O;BYKALHVEMKRMCY-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68733;MM68733;CC=C(CNC)C(N)CF;UAVZSPWPLGEUKR-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68734;MM68734;CC=C(COC)N(N)C=N;JVNSOOYJLCTGAT-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68735;MM68735;CC=CC(=CF)C(N)CN;SZUITZPIBKCUTF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68736;MM68736;C#CC(=C)N(C=N)C(N)=O;UTPOEXHSIJGJCI-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68737;MM68737;C=CCNN=CNC(N)=O;YKTMGSOWJWVZJF-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68738;MM68738;N#CCNN=CNC(N)=O;OKVXZLZZTQGPNA-UHFFFAOYSA-N;141.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68739;MM68739;CNC(=N)N(O)C=N;UJTKTUXIQKDYNX-UHFFFAOYSA-N;116.12;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68740;MM68740;C=NOCC=NOCCO;PNPVBBQEFNBPPQ-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68741;MM68741;N#CCCC=NNC(N)=O;RODWXKXEXHQPJX-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68742;MM68742;C=C(C)NC(=O)CCNC;JRBHRABTVYUULO-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68743;MM68743;CC(C)(C#N)ON=CNO;DUMATKIGUUONEI-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68744;MM68744;CCN=C(C#N)N=CNO;PUGLUDPQUOGOLO-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68745;MM68745;C=NOC(CC(C)O)OC;FSCCLZKDGKHFHM-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68746;MM68746;CC(=O)NN=CCOC=O;RSYYCVZUWMWYQZ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68747;MM68747;CCC(O)(CN)C(C)C;WIXYVWOZXHFYGB-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68748;MM68748;CC(O)C#CC=CCN;MOPDXLTYCVHMBH-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68749;MM68749;C=CCC(O)(CN)CCF;PNRQFAFLNQLHMC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68750;MM68750;CC(=O)NN=COCC=O;XFZSVZBZVUWUED-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68751;MM68751;CC(=O)NN=COCC#N;OMTGPVDQMAEOJR-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68752;MM68752;C=C(C#CC)NC(=N)CO;GVYQYDZPVQJBFX-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68753;MM68753;N#CCOC=NNC(N)=O;MIJLOOMWWJXITE-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68754;MM68754;CCNC(C)C=CNC=O;KPGYSZIUFURFRM-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68755;MM68755;C=C(C)CC(O)(CC)CN;FKBQFFJJVWDDIP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68756;MM68756;C=CCC(O)(CC)CN;YRSVOOYLLURGPC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68757;MM68757;CCC(O)(CN)CC=CF;UQYKBLGRCLODGG-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68758;MM68758;COCC(CN)=C(C)OC;GPXMYVPOYFAQJI-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68759;MM68759;C=CC(C)C(C)(O)CN;IJLXXRAXEMHPOY-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68760;MM68760;C=CC(CC)C(C)(O)CN;DUQCTXSOQUEGAJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68761;MM68761;CC(C=CF)C(C)(O)CN;OZBDDLCFIBHXSE-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68762;MM68762;CN=C(C=CF)NCCN;PWMRXGAHZUUOGQ-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68763;MM68763;C=C(CN)CC#CC(C)O;VVXTZPWVOZYJKD-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68764;MM68764;C#CC(C)C(CN)N(C)C;FBURKQAGFRIJAL-UHFFFAOYSA-N;140.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68765;MM68765;C=CC(NCCN)C(=C)C;CDIROFOIJLPABS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68766;MM68766;N#CCCC=NOC(N)=O;MDGHNLNZUMUTOD-UHFFFAOYSA-N;141.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68767;MM68767;C=C(C)C(CC=NN)NC;VNSWIVWUGVJJAL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68768;MM68768;CC=NNC(C=O)CC=O;AUQKJQKNSGFGQK-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68769;MM68769;CN=C(NCC#N)N(C)C;YSSRPRAUGFLCPF-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68770;MM68770;CC=C(CN)C(OC)OC;ZHXJZIOHOREMHT-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68771;MM68771;CC1CC1(O)CN;HIVGVUACZUFPOK-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68772;MM68772;C#CC(=NC)NCCC#N;PKRNVAGZQRBERP-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68773;MM68773;C=CC(CC)N(C)CCN;SQZJJEKTNARNQU-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68774;MM68774;C=CC(N)(CC)C(C)O;WAYDJZSMEWSTMB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68775;MM68775;CN=CNC=N;UYQJMMLTOKXFCJ-UHFFFAOYSA-N;85.11;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68776;MM68776;C#CCOC=CCC(N)=O;AHRBUJKWIWBMFW-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68777;MM68777;COC=C(C)NC(=N)NO;KXCTTXWFMDJWOB-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68778;MM68778;C#CCNN=CCC(=O)O;RKZCSVPRBCJSQX-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68779;MM68779;C#CCCC=CNC(N)=O;LPGBHRWXVAJBHY-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68780;MM68780;COC(=O)CC(C)N;SJQZRROQIBFBPS-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68781;MM68781;C#CCOC=CNC(C)=O;QABZHZJOLWMXRT-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68782;MM68782;CC(F)=CC(N)CN;SOADDBRYPKYING-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68783;MM68783;CC#CC(N)CNC;QNJKIKMNLXSRQD-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68784;MM68784;CC(N)C(C)OC=O;JODRTVHDVZPAGO-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68785;MM68785;NCC=CC#CC(N)=O;DHEHFZGXCKJEHS-UHFFFAOYSA-N;124.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68786;MM68786;C#CCOC=NNC(C)=O;NJMXLNCHBXPCBB-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68787;MM68787;C#CCN=C(NC)NO;OHPHGONTPGFSHE-UHFFFAOYSA-N;127.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68788;MM68788;C#CCOC=NNC(N)=O;COQPLSSTMIFYAL-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68789;MM68789;N#CC=CCC(=N)NO;IBQDKUJWGPMTOW-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68790;MM68790;C#CC(C)(CC)NC;KNDUEEJMTARWHD-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68791;MM68791;C#CCON=COC(N)=O;COKGPRYTZFIRQW-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68792;MM68792;C=COC(=O)CC(C)N;UZCSDFXURLGGBY-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68793;MM68793;CC(C=CC=O)C(=N)NO;WDUQFWFXGJDEKD-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68794;MM68794;C#CC#CC(CO)C(C)N;PZYJKUALGSACDD-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68795;MM68795;C#CCCNCC(C)O;GJWVGXWHPPBGRY-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68796;MM68796;CCNCC(C)=CC(C)O;FTGUOJLCDVNEGH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68797;MM68797;CN=C(C)NC(C)=NC;RNRQJMWGYZVJIJ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68798;MM68798;CCC(N)COC(C)=O;SCDHRSUWYYPXAY-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68799;MM68799;C=COCC=NNCCO;UOAGQQAEMJHGSO-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68800;MM68800;C=NNC=CC(=O)CCO;ZJZWSLURFRQXCD-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68801;MM68801;CC(O)C=CC(N)C(C)C;PJKPFRUNEQANJU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68802;MM68802;NN=CCC=CCC(=O)O;SCCSPPDXWXMPGE-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68803;MM68803;C=C(C(C)CO)C(C)NC;MLOIFVOQPPNGQB-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68804;MM68804;C=CC(CC(C)CO)NC;HBVTWBLTZDUTNV-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68805;MM68805;N=CN(N)CC=C(F)F;VOTUWLUHWKOPDP-UHFFFAOYSA-N;135.12;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68806;MM68806;C=C(C#CC=CCN)CO;KYODMEYUKAFQRY-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68807;MM68807;NC(=O)NC=NN=CNO;MSBHIDDLOYVCKK-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68808;MM68808;NN=CCC(F)CCO;IJFJTMMEPDFGJP-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68809;MM68809;C#CCN(CC=O)N=CC;GFNUBFMVCGYEGQ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68810;MM68810;C=NOC(CCCO)OC;OOODEGOQTQBOJU-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68811;MM68811;C=C(CNCC)CC(C)O;ITJYJFXHWKQSHI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68812;MM68812;CC=NOC=NNC(C)=O;SJBHIIWSCKILTM-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68813;MM68813;C=C(CC(C)O)C(C)NC;LHWKYOFFTZHNPH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68814;MM68814;CCCC(C=CCO)NC;WQWNIOWKYAPHRT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68815;MM68815;NC(=O)ON=CCC=NO;MXVWGGOQOSVAPD-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68816;MM68816;C=C(C#N)C(=N)N(C)C;DPRNZYZZVWRKAK-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68817;MM68817;CC=COC=NOC(N)=O;WDHUBVHJQPETAP-UHFFFAOYSA-N;144.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68818;MM68818;C#CCOC(=N)N(C)C;KSVHXBDSCKHOOL-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68819;MM68819;C=CC(N)C(C)CC(C)O;YPPICTIRLSJZDD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68820;MM68820;CC#CCN=CNC(N)=O;CDCCNTYZVQYVHV-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68821;MM68821;C=CC(N)CC=NNC;RBOHSCAMYNPIEC-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68822;MM68822;C=C(C)C(CCO)NCC;GVVHHIDFQYQZCJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68823;MM68823;C=C(CCO)CNCC;ZPAONUVNHZBEQX-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68824;MM68824;C=C(C)CNC(C)CCO;LDMMJDGXKOGROK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68825;MM68825;CCC(OC=O)C(C)N;PILZKEOUMIOQRL-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68826;MM68826;CC(=CC#CCCO)CN;WQGKWVFHDCJHEV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68827;MM68827;C=NOCCC(=O)C(C)=O;OOPKILKSYVOPMC-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68828;MM68828;N#CC(=N)N=C(N)NC=N;KCBBCUCAOKVHBW-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68829;MM68829;CNCCC(=O)NC(C)C;DZGOQFFYNQWCDQ-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68830;MM68830;CC(=O)NCC(C)(C)N;WSMGYPOPWMINLU-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68831;MM68831;C=CN(OCC)C(C)=N;MJUIONQUKFTALB-UHFFFAOYSA-N;128.18;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68832;MM68832;CNN=CC=CCC(=O)O;POHROIUDAMABSY-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68833;MM68833;CCC=NN=CCC(=O)O;QDUIHASRKIXGNA-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68834;MM68834;C=C(F)C(NC)C(C)N;AKWRXYOQWNBTTA-UHFFFAOYSA-N;132.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68835;MM68835;CCCNC(=O)CCNC;FJQONSUILLEUCJ-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68836;MM68836;CC(=O)NC=CC=CCO;VPBXZKSNINFDMV-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68837;MM68837;CCC(C=O)NN=C(C)N;YWPRSDKUIAGJES-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68838;MM68838;C=NN=CNC(=N)OC=O;HEXNODGYVGTOLS-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68839;MM68839;C=NOCCCC(=O)C=O;KEYFSEAFGOMIBH-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68840;MM68840;C#CCC(=NNC)NN=C;GWDZUHLOTMZOAJ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68841;MM68841;CC(=O)CN=CN;QNRGQNWTRMBZLO-UHFFFAOYSA-N;100.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68842;MM68842;NC(=O)NN=CC=CCO;MEHXLIMMEKFRLC-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68843;MM68843;COC=CC=NNC(N)=O;GUIHYXACBDDZOO-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68844;MM68844;CON=CC=NNC(C)=O;TYLITJUCZDRCQC-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68845;MM68845;CON=CC=NNC(N)=O;CPGBCIMQSQCGCK-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68846;MM68846;NC(=O)OC=NN=CCO;LFCYYAAPTIEZLE-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68847;MM68847;CC(=O)C(C)NN=C(C)N;NDNGJNLZPUVMOZ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68848;MM68848;C=C(C)C(CN)=C(C)F;MZRTWPKWRNGMHH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68849;MM68849;CNC(=NC(C)=O)N(C)C;IJZCTBABGFNAHD-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68850;MM68850;CCCC(=O)CN=CN;OBCJVLYQRUTISF-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68851;MM68851;C=C(F)C(CN)=C(C)C;VFMRQVQCRRZRSJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68852;MM68852;CCC(=N)NC=NNC;GECXZJULJLBUOD-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68853;MM68853;CN(C(=N)N)C(C)(C)C#N;SUTSSRGLXGWQNX-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16552;MM16552;C=CC=NN=CCC(=O)O;OOOJNQIXURYLOQ-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16228;MM16228;N#CC=NN=CCC(=O)O;LNBBFIQCESGQSC-UHFFFAOYSA-N;139.11;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68854;MM68854;CCNN=CNC(=N)CC;YQAHSZOPJJRXPF-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68855;MM68855;CC(=O)NC=NC=CC#N;VRTKENZEBVQYLU-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68856;MM68856;C=CC(C)(CN(C)C)NC;FDMQXFXMPOUTEV-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68857;MM68857;C=NNC=C(C=O)COC;OFNKLIGOSVRRCT-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68858;MM68858;C=C(C)C(=NN)C(=N)NC;QQQYNFFQVADPJN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68859;MM68859;CC(=O)NC=NN=CC#N;RFECHAXCUAVMFO-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68860;MM68860;C=NNC(=NCC)C(=N)N;FPENTYAEELXYHC-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68861;MM68861;C=CC(=CN)C(=NC)NN;RRDTUIHSJXAPEZ-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68862;MM68862;C#CC(=N)NCC=NNC;AVOJYDOTZHBNSE-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68863;MM68863;NC(=O)NN=CC=CC=O;AJLXJLQIMLCDKO-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68864;MM68864;C=NNCC#CC=CCN;HUPZPNNXMNGYPK-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15272;MM15272;C=NN=CC=NNC(N)=O;OGJHLTISZHZSBX-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68865;MM68865;CN(C)N=CC#CC(=N)N;BYNVHXLFBPCYQY-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68866;MM68866;C=CCOC(=O)CC(C)N;PBOFCQIFZLJXHG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68867;MM68867;CC=NOC(=O)CC(C)N;SBQBYZZJUXYNON-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68868;MM68868;N#CC=CC=NOC(N)=O;YALQBXPQZIOYGT-UHFFFAOYSA-N;139.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68869;MM68869;CC(=O)OC(C)=CN=CN;BBYAVXKJHKWSDX-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68870;MM68870;C=NN=CC=NOC(N)=O;UDMJIQQBLIDSPV-UHFFFAOYSA-N;142.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68871;MM68871;C#CC=CC=CNC(N)=O;MQJOGSMSCDACEW-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68872;MM68872;C#CC=NN=CNC(N)=O;YBCZHBZZVWLQKT-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68873;MM68873;C=NNC=C(C)C(=O)OC;NECVTWVCHUMQBG-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68874;MM68874;NCC=C(F)C#CC=NO;NSGWAMOMEJTYBQ-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68875;MM68875;CNC(C)(C)C(=CF)CN;JGXFMVIKZHBTJN-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68876;MM68876;CC=CC(CCN)=NO;HRNAGAHLGSBOAL-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68877;MM68877;CCC(=O)OC(C)C(C)N;WPZQOYAWTOOZCA-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68878;MM68878;C#CC(O)C(=N)NNC=N;MAHGIBGDTLPFCQ-UHFFFAOYSA-N;140.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68879;MM68879;CC(C)C(F)=CC(N)CN;IPNCQTDRNFMBMX-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68880;MM68880;C#CC=NNC(=N)C=NN;RPVVERIREMGTMS-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68881;MM68881;C#CC(C#N)C(C)CNC;FKUXRXGMOJAFNF-UHFFFAOYSA-N;136.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68882;MM68882;C=NN=C(NO)NC(=N)N;LDCAMLIQDRZGQO-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68883;MM68883;C#CC(C)(O)C(C)(C)NC;GKFYCKUFBOYMQZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68884;MM68884;CC(=O)NN=CC#CCO;DGAPBXIBMOXLTM-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68885;MM68885;C=C(N=CN)NC(C)=O;CPRZEYVLOBDPIC-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68886;MM68886;C=CC=NNCCC#N;NEUGHRHUDVRUBP-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68887;MM68887;CC(F)=C(C)CN(N)C=N;HZQKKQLOQLDVOR-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68888;MM68888;C#CC(=N)NC(=C)COC;PVMSWCKVVRLBQP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68889;MM68889;CON=CCCC(C)=O;JROCFFACRKNSPA-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68890;MM68890;CCCC(F)=CC(N)CN;KRXVTGOQJVPVQY-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68891;MM68891;C=C(C#CCO)C=CCN;TZGHJSSWMNZYMG-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68892;MM68892;NC(=O)ON=CC#CCO;HTWJIHPLKPZNSP-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68893;MM68893;NC(=O)ON=CC#CCF;LBDZDTYCXNNBLN-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68894;MM68894;CC(=N)N(C=N)C=C(C)C;DCWBZCXEISPXJF-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68895;MM68895;CC(F)=CC(CN)=C(C)F;WGHJYCGTGZBAQP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68896;MM68896;CC(=O)NC=CC#CC=O;LVLBIZMZIZLCNC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68897;MM68897;C=CC#CC=CNC(N)=O;IDPRYBDIJQSJSF-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68898;MM68898;NC(=O)NC=CC#CC=O;FQUUBCSYPWWTLH-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68899;MM68899;CNCC=CCC(=O)C#N;YGVPYSQZJFFBQW-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68900;MM68900;NCC=CC=CC(O)CF;HAOKKOCANADCTE-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68901;MM68901;C=C(CNC)C(=C)OC=O;MFASAFQLILTAIC-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68902;MM68902;C#CCC(N)C(N)C=CC;GZIYTTSQHDLRMP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68903;MM68903;CC=CN(N)C(=N)COC;LPDKVNLEZWRKTF-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68904;MM68904;C=CC#CC=NOC(N)=O;NFAYQAYBTFKLMS-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68905;MM68905;NC(=O)ON=CC#CC=O;GIBOUJCWLSKJTN-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68906;MM68906;N#CC#CC=NOC(N)=O;PHFQCKJYBQBPSB-UHFFFAOYSA-N;137.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68907;MM68907;C=NNCC(=O)ON=CC;WNWKWCKSVWQWKK-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68908;MM68908;C#CC#CC=NNC(N)=O;KWOAUOGLBWNYMO-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68909;MM68909;C#CC#CC=NOC(N)=O;FQCODRAFKPBLSQ-UHFFFAOYSA-N;136.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68910;MM68910;C=CC(CN)N(C)C(C)C;HNHKIGIYMKJVBS-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68911;MM68911;NCC=CC=C(F)CO;ZVICQZWJVBRODF-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68912;MM68912;NCC=CC=CC(F)CO;ILZDQEBHRCJEQW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68913;MM68913;C#CC(=C)N(C)C(=N)CO;HINQYAOCAFDZFL-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68914;MM68914;NCC=CC=CNC=O;HCOMMSIZNWHNME-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68915;MM68915;CNC(C)(C)C=CNC=O;RQBXIASXWFDLOZ-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68916;MM68916;CCCC(O)(CN)CCF;NBVPAXOZYRSVMR-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68917;MM68917;C=C(F)CNC=NO;FXAJRHAVMVTLPE-UHFFFAOYSA-N;118.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68918;MM68918;C#CC=C(F)C(N)C(C)N;SGOQDUMPPFBKIL-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68919;MM68919;NC(=O)CC#CCCC=O;MFFWTNNJAKESPP-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68920;MM68920;CC#CC(COC)NC=N;WWRQKWRZRNMWGM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68921;MM68921;O=CNCC#CCC(=O)O;PEBBVFPXVKHKBY-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68922;MM68922;CNCC(=C(C)C)C(C)F;KVHMVAMTLOMELL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68923;MM68923;C#CC(=C)C(N)(CC)CN;KRUGRLFTFFCHLN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68924;MM68924;C=CC#CC(O)CON=C;XPZSCWREHRCRMC-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68925;MM68925;C#CCNC(=N)COC=C;CIHSLDKLYLPMKF-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68926;MM68926;C#CC(COC)C(N)C=C;MXUCMFIRORJPIH-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68927;MM68927;C#CCC(CC)NNC=O;CLBGLWPERMICAP-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16447;MM16447;CNN=CC#CCC(=O)O;GFDUOSNOVXCRKZ-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68928;MM68928;CC(O)CC#CC#CCO;QCRSGMCFBMUZGA-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68929;MM68929;C=CCN(C=N)NCCC;KDWVTNZKQWBNDE-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68930;MM68930;CCC(O)(CN)CCF;WRYIDWJKBXHGRZ-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68931;MM68931;C#CCN(O)C(=N)NC=C;QWDZQVQEUSVIAU-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68932;MM68932;NC(=O)CC#CC#CCO;QOLUJPOTLIEVLF-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"7-hydroxyhepta-3,5-diynoic Acid";MM03394;O=C(O)CC#CC#CCO;IUZQTIBDLYEGKY-UHFFFAOYSA-N;138.12;-0.54;22964462;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68933;MM68933;N#CC#CC#CCC(N)=O;JJAVNRHOHXFHSY-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68934;MM68934;C#CC(COC=C)NC=N;TWXVLFVJZBPSFU-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68935;MM68935;COCC=C(NC=N)OC;XXVMTFVJNIGMGX-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68936;MM68936;COC(=CC=CCN)CO;BJDUOYBSXYGTFE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68937;MM68937;CC(C=CC#CCO)=NN;VIQGZKOSVVBJMJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68938;MM68938;C=CC(=COC=O)CNC;ACESOOWIXAMZDP-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68939;MM68939;CCN(C(=N)N)C(C)C#N;BDJFCUPGHNIEPD-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68940;MM68940;N#CC(=NC=O)N(O)C=N;MIUOJHKWXSOYBV-UHFFFAOYSA-N;140.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68941;MM68941;CCON=C(NO)NO;GXZZXNWXJUMQGY-UHFFFAOYSA-N;135.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68942;MM68942;CNN(C=N)CC=CC#N;OBGMZSQWMQMVBQ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68943;MM68943;C=CC(C)(O)C=NN(C)C;CUUUCLAXHJHITJ-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68944;MM68944;C#CC=CCN(C=N)NC;GRBRPSKTJOJZCP-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68945;MM68945;CC(O)C=CCOCC=O;SDHUZOBGVUFYOG-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68946;MM68946;CC(O)C=CCOCC#N;LICOKWJAEHSLPY-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68947;MM68947;C=CC(=CF)CNCCN;HYFIUVHFZVPCFE-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68948;MM68948;CC(O)C=COCOC=O;DXDHXFQZLAPTQW-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68949;MM68949;C#CC=CNC(CN)=NC;KFENMCCKYRXONO-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68950;MM68950;CON=CN=C(CO)NO;CQFPQCAQBIPNQI-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68951;MM68951;C#CCC(=C)C(CO)=NN;XRORSVGEZLIZKC-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68952;MM68952;CCOC(C=NNC)CO;NVQUCPUIXBMOSQ-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68953;MM68953;CCNC(C)C(=CF)CN;CMFIFIGXGUPVRC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68954;MM68954;C#CCCNN=CC(C)O;MRJIIUNHRGTZJP-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68955;MM68955;NCC(N)C=CF;OACRMFGDHSBJGC-UHFFFAOYSA-N;104.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68956;MM68956;N=C(N)C#CC=NN;OTANTWXDUCSUMS-UHFFFAOYSA-N;110.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68957;MM68957;C#CC=CN(N)C=N;IXKFKMJXSUQIEV-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68958;MM68958;NCC(C=CF)=CF;HHJYIJCEIDEASH-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68959;MM68959;CC(F)=C(CN)CN;NSBLRFKECCLSAE-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68960;MM68960;C=CC(CN)=C(C)F;JUKUNCQUAVEQMC-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68961;MM68961;COC1(CN)CC1C;HORBTCGVLMLJFY-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68962;MM68962;CCC(O)(CN)CC(C)C;NUYPPMBTFRPGIZ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68963;MM68963;CCC(O)(CN)CCCF;GOXNVGSAPCXPAJ-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68964;MM68964;CC(N)C#CC(C)(C)N;XEQKVODDENVIGB-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68965;MM68965;CC(=CF)CN(N)C=N;SLRYXRDZPSKOKB-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68966;MM68966;CNN=CC#CC(=N)N;ACLPIDWWSUJPFO-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68967;MM68967;CCNCC(C)OC=O;AHCRIWJJAKHNNC-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68968;MM68968;CC#CCC(=N)NNC;FCDQAUPWXOSJIJ-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68969;MM68969;CC(=O)C=COCCCO;WFPBFVIDLJANKV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68970;MM68970;C=C(C(C)F)C(N)CN;XASZPEVEIDQGJF-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68971;MM68971;C=CCC(C)C(C)(O)CN;HXTNNWQLIKAZDO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68972;MM68972;C=C(C)C(=C)C(N)CN;FNTPWPHTYKTNBA-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68973;MM68973;CC(C)C(C)(O)CN;RRBXHIYJTGFUDF-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68974;MM68974;CC(F)=C(C)C(N)CN;LUPVQWXKFOBJEW-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68975;MM68975;CCC(O)(CC)CN;OFAPYHPFMXHSQJ-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68976;MM68976;C=CCON(C)C(C)=N;OSYPABXXQVYKDL-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68977;MM68977;CCNCC=C(C)C=O;FNOIFLDECLGIMT-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68978;MM68978;CC(=O)C=COCCC#N;NGEODIZXORUHSK-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68979;MM68979;C=C(OC)C(=N)NC=N;QKHIAFCHJZLMIU-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16271;MM16271;N#CCCOC=CC(=O)O;GYNYBQQHSDFDMJ-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68980;MM68980;C=NN=C(C=CCN)CO;WPDWJGLZYKTWAO-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68981;MM68981;COC=C(CF)NC=N;IPLYKKMEEQCQGL-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68982;MM68982;CC(O)(CN)CC(F)F;IVIBXWUJEZNBJC-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68983;MM68983;CC=C(F)CC(C)(O)CN;GQECDGSNRSKBMF-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68984;MM68984;CNC(=N)C(C#N)CO;AAMHOIJGRRFYRB-UHFFFAOYSA-N;127.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68985;MM68985;C=NN=CCC(C)(O)CN;NLDYZXOLRRGRTN-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68986;MM68986;C#CC(=C)CC(C)(O)CN;YWOGJWXMFNZJOS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68987;MM68987;C#CC(CNC)N(C)C;DCBIQTNOVOXSDW-UHFFFAOYSA-N;126.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68988;MM68988;CC(F)=C(C=CF)CN;NYICIEHDDQESDL-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68989;MM68989;N#CCCON=CC(N)=O;DPQMXEQDIAUFQQ-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68990;MM68990;C#CC(C#C)(CC)CN;PBFUIIFLIVKMQE-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68991;MM68991;C=C(C)CC(C)(O)CN;VFNRGFHJOFJZEU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68992;MM68992;C=NOCON=CC(=O)O;HINLDCTYGKDTTK-UHFFFAOYSA-N;146.1;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68993;MM68993;C=CC(=CC)C(N)CN;MKQCHCMUPTWZOL-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68994;MM68994;C=C(CC)CC(C)(O)CN;IHASIRSEUJNNBM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68995;MM68995;CC(=CF)C(=CF)CN;HNCIMDILXMYGEJ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68996;MM68996;CC=C(C)CC(C)(O)CN;MEUACSCAXMULMQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68997;MM68997;CC(=CF)CC(C)(O)CN;GAFBHRPTFMJOBN-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68998;MM68998;C=CCC(C)(O)CN;ODQCUEVTSAKWLA-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM68999;MM68999;CC(O)C=CCOC=NO;HNLYRQCLNLOIMN-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69000;MM69000;CC=CCC(C)(O)CN;DQWQSUSQBQFKDT-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69001;MM69001;COC=CC(=CF)CN;VDZDYHHKSCQLIZ-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69002;MM69002;CC(F)=CC(C)NCCN;JLQHQWRJQFABIH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69003;MM69003;CC(O)(CN)CC=CF;VHSVAUSVDPCDDA-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69004;MM69004;C=CC(N)(C#CC)CNC;AJWRHBYMGYOSGV-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69005;MM69005;NN=CCCC=CC(=O)O;BWRQYEHDZSICQP-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69006;MM69006;CC(F)=CCC(C)(O)CN;URARDPWEYGNNEK-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69007;MM69007;C=CC=CCC(C)(O)CN;PHJMFOIQXDRSNO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69008;MM69008;CCC1(N)CC1O;JAUWZFVPEYZSSK-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69009;MM69009;CC(C)CNC(CO)CO;ABSAHPVTLXJNJB-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69010;MM69010;CC(O)C(C=CCN)=CF;VWEFJBXXTGHKTO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69011;MM69011;C#CCCN=C(NN)NO;XSQXSTZJUURZOH-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69012;MM69012;NCC1(O)CC1;JXJORHGRCCODBV-UHFFFAOYSA-N;87.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69013;MM69013;CC(O)C=COC=CCO;RSRIMPZMCDYCIL-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69014;MM69014;CN(C=N)C(=N)NO;CUWFAEPHPDJLJY-UHFFFAOYSA-N;116.12;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69015;MM69015;CN(C=N)C(=CC#N)CO;SURCWHIVDSAOFW-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69016;MM69016;CC#CC(C)NC(=N)CN;PHGKRNRWISBUBH-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69017;MM69017;CCCC(=N)N(C)O;HYYLYDADFUMWCW-UHFFFAOYSA-N;116.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69018;MM69018;C#CC(CO)C(C)=NN;DVUYSQQDQJDFDH-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69019;MM69019;CCCCC(=N)N(C)O;WCFBFJIJNXFHFT-UHFFFAOYSA-N;130.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69020;MM69020;CCNN=CC(CO)CF;RIGRHELJGRMDLZ-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69021;MM69021;COC=C(C)CN(N)C=N;BTBGEJQQAROAQI-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69022;MM69022;CON=CC(C)CO;PRBACFFPGQEQDY-UHFFFAOYSA-N;117.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69023;MM69023;C#CCC(NC)C(C)O;BOUSUFHPHXQDMR-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69024;MM69024;CC(=O)C=CCC(=N)NO;MCOIFZYSBFSMQC-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69025;MM69025;C=C(C)CN(C)C(C)CN;FUYQVAOQJNUCQD-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69026;MM69026;CC(C=O)C=CC(=N)NO;QENYURPASPIRRL-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69027;MM69027;C#CCC(C)N(C)CCN;DVPYZRNBTYAJRW-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69028;MM69028;C#CC(CC)C(CO)NC;PGYVCSRYFXXSJD-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69029;MM69029;NCC=CC=COCCO;RZBSAGDDWQWNCT-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69030;MM69030;CNC(C)C(C)=CC(C)O;QJLKPGDXWPTHKM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69031;MM69031;CC(O)C=NN=CNC=O;YZFIXBNJMSTDOE-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69032;MM69032;NCC=CC=NN=CNO;SGXHCFWBIIXNHM-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69033;MM69033;C=CCC(N)C(C)OC=O;LZGXXGPNGQLHDB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69034;MM69034;CNCC=CC(C#N)C=O;PDIXVCUXBNQENF-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69035;MM69035;C=CC(C)NCC(C)CO;SQRSHMIUFILJGG-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69036;MM69036;NCC=CC(F)=CCO;YDIUWSCGKXJHCE-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69037;MM69037;COC(C=CCN)=CCO;KYDPDKUCTFLSEV-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69038;MM69038;C#CC=C(F)C(N)CNC;NPGVPMYDQWTXFU-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69039;MM69039;C#CC(=O)CC=CCNC;DFMUWUZVGXAVLR-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69040;MM69040;C=COC(C#CC)C(=N)N;NIWPWIKOLVFCSV-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69041;MM69041;C#CC(C#C)(CN)CCF;CXGRNDKTZDOTBF-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69042;MM69042;CNN(C=N)CC=C(C)C;BROVCCZSUZYIIF-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69043;MM69043;C=C(C(C)=CC)C(N)CN;VDFWUMKABGLKTB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69044;MM69044;CC(O)CC(=CCN)CF;RRBDPGKUHDRWTM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69045;MM69045;NCC=CC(=CCO)CF;DCTXLAHOXXQIFW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69046;MM69046;CNN=CCC=CC(=O)O;SOAYSWSENYHFPU-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69047;MM69047;CNC(C)C(C)=CCO;IZEXFQBCKGYZHM-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69048;MM69048;C=C(N=CNC)OCOC;SJTDDCKUGASLPI-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69049;MM69049;C#CCON=CC=CCO;CDTJNJWVGNHZAH-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69050;MM69050;N=CN(N)CC=CCO;SWBBFGZTXVEEOG-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69051;MM69051;CCC(C=CCO)NC;XWBIYJSKCBFHAY-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69052;MM69052;CC(=CCN)COC(N)=O;CXFNMHIRLFEHHE-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69053;MM69053;CNCC=CCC(C)=O;PXLSHIXOHTUCQQ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69054;MM69054;C#CC#CCC(N)CCO;QJWNWBXPKYRDHE-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69055;MM69055;C=CC(C)C(N)COC=O;AGSTWVBSXYLTGI-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69056;MM69056;CC=COC=CC(N)CN;VALRSHZXAZKEBL-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69057;MM69057;NCC=CC(=CF)CCO;GIUWHOULSMMKDD-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69058;MM69058;CCC(=NN)NCCCO;ROZLWUQJIZCUMO-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69059;MM69059;C#CC(CNC)N(C)CC;WSPRKHPWZRHVMI-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69060;MM69060;C=CNC(=NC)C(=N)NN;LHEKWSSBEXXICD-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69061;MM69061;CC=C(C=CF)C(N)CN;MBJIQRRKWXHZCJ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69062;MM69062;C=NNC=NN(C)CC=O;UPUGPWYMGAYEHX-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69063;MM69063;C=CC(CCCO)NC;QFGUBYWOBYLOAP-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69064;MM69064;N#CC=CNN=CC(N)=O;BXPDLNHVQZJWHH-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69065;MM69065;N#CC=CNN=CC(=O)O;VGPMRDSCGAXDCE-UHFFFAOYSA-N;139.11;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69066;MM69066;C#CC(=CC=CCN)CO;VDXCMNMTRNJYEJ-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69067;MM69067;CC(C=CCO)=CCN;TZQDKUGIJGYWFR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16420;MM16420;C=NNC=NN=CC(=O)O;MCXPDVLQHJHSJO-UHFFFAOYSA-N;142.12;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69068;MM69068;C=NN=CON=CC(N)=O;KUHRRSJDAKLVDR-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69069;MM69069;CC(C)(C)N(N)C(N)=O;KNLFLRWFSWNCGI-UHFFFAOYSA-N;131.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69070;MM69070;C#CC(C=CCN)=CCO;VZVWWOJPSJQZSU-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69071;MM69071;CCC=C(CF)C(N)CN;GZVPFPDIOWNUKH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69072;MM69072;C#CC=CN=CNC(C)=O;DDNQVHUCHURSLW-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69073;MM69073;C=CC(=CCC)C(N)CN;PBTAIUSFFKGCBF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69074;MM69074;CCN(CCN)CCCF;MMLUUDXHTOHVHA-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69075;MM69075;CC(C=CCN)=CCO;WZWSFBRVWSQBDQ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69076;MM69076;C#CCCN(CC)CCN;LXGWFWJKIIYUSI-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69077;MM69077;C#CCNC(CN)CC=C;VJCAPDHSMXEEPV-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69078;MM69078;C#CC(=NOC)NCC=O;BWAPFETULKBICQ-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69079;MM69079;C#CCNN=CCC(C)=O;YDXPFFATVJVLGK-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16516;MM16516;O=C(O)C=CCC#CCO;CZCNLJQLKHNZRN-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69080;MM69080;C#CC=C(C=CCN)CO;KEYDVAOFKQNJJY-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69081;MM69081;C=C(C=CCN)CO;KEQBZVZOKGTMTB-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69082;MM69082;C=C(CO)C(C)=CCN;CVGHJNDYBPIGEC-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69083;MM69083;C=NNCC(C#CC)CN;RHKWALSXWWDYJO-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69084;MM69084;C#CC(C=O)N(C)N=C;YPPAVMPHTOQOBY-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69085;MM69085;NCC=C(CF)CCCO;NOBKDTRGNDIZEK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69086;MM69086;C=C(C=CCN)CCCO;KQZLHPYJEVEAKK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69087;MM69087;C=CC(=N)N(C=N)C(C)C;JESNHMMWWPEGJR-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69088;MM69088;C#CC(F)C(C#N)NC;JSVNBNTUZXEXSH-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69089;MM69089;CN=C(N)C#CCC=O;ZENOWJZFEPCFJO-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69090;MM69090;CC(O)C=CC=NNC=O;BWYIMXNJZMVVTQ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69091;MM69091;C=CC(CCO)=C(C)CN;BFMKMPSLWVYSCN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69092;MM69092;CC(C)C(=CF)C(N)CN;HPLXTJFEBRKXOX-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69093;MM69093;C=CC(=CCN)CCO;LFTZLVDWQZJMED-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69094;MM69094;NCC=C(C=CF)CCO;IBOTXYYOYGXKQA-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69095;MM69095;C=C(C)C(=CC)C(N)CN;WQGOCCFKVOAVAY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69096;MM69096;CNC(=N)C(C#N)COC;UTPJRNJQHGVNQL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69097;MM69097;CC=NN(C)C(=N)C=NN;BZKUUGPWRUSOIP-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69098;MM69098;CC#CC(=N)NC(=O)NC;OBSBPKMBQQTWOF-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69099;MM69099;CCC(=C(C)F)C(N)CN;YOUVPCAGGIZWHV-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69100;MM69100;CCNNC(=O)NOCC;PSPNEUIMVIESNS-UHFFFAOYSA-N;147.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69101;MM69101;CC(=N)NC=NNCC#N;ZTLWAIBDXIJVHB-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69102;MM69102;C=CC(=C(C)C)C(N)CN;RQHRMEJRBONFMU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69103;MM69103;CCC=CC(CN)=C(C)F;SQBXNUQICADFPJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69104;MM69104;CCC(=CF)C(CN)NC;KRCFTSLWIPTXMA-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69105;MM69105;C=C(C=CCN)C(C)O;XFMRLTRODNVOBD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69106;MM69106;COC(=N)N(C)N=CC#N;ACJQWZYMOPJNIO-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69107;MM69107;C=C(COC)N(C=N)NC;UWQQKGYXFYBLHY-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69108;MM69108;C=COC(=C)C(=NC)NN;FZGKXIOSOQZSPM-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69109;MM69109;C=CN(C)C(=N)CC#N;KAAJNSSBWDDKEH-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69110;MM69110;N#CCCNC(=N)CC#N;CSVNFINEQIVWGO-UHFFFAOYSA-N;136.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69111;MM69111;CCCC(F)=C(CN)CN;PWPSZQBAVMXUOW-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69112;MM69112;CCCON=C(NO)NO;FNDUPWGQGKLFGJ-UHFFFAOYSA-N;149.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69113;MM69113;CCONC(=N)NC=N;DNXMEZVJUIRBQS-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69114;MM69114;CC(N=CN)=C(C=O)CF;GIRWSEJGBLYTSY-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69115;MM69115;C#CC(C=O)C=CCNC;VXZRRNCKTAQHQE-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69116;MM69116;CC1C(N)C1N;CNMAFRXOHFXMJN-UHFFFAOYSA-N;86.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69117;MM69117;CNCC=CC(C)C=O;GHORHBWWAQRERH-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69118;MM69118;CC(CC(C)(O)CF)=NN;PGHWSJFCGBXCDK-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69119;MM69119;CC(=O)C=CC=CNC=O;GZRNHEHJXOFMDO-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69120;MM69120;C=C(CC=O)C(=C)CNC;YIKMEFLDZZAYRG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69121;MM69121;C=CC(=NNCC)NC;GYXULRBCXRXMHR-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69122;MM69122;CNC(=N)C=NN;CQYVKDYDSLUSHQ-UHFFFAOYSA-N;100.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69123;MM69123;CC(C#N)NC=N;VAEMXKGXULICDI-UHFFFAOYSA-N;97.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69124;MM69124;C=COC=NN=CC(N)=O;SRAJZFJMOIEOBF-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69125;MM69125;C=C(F)C(=C)CN;YOLZCEDILQHAOS-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69126;MM69126;C=NNC(CO)=NNC;QZOHIWRXGHTHMM-UHFFFAOYSA-N;130.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69127;MM69127;C=CN=CN=CNC(C)=O;JWHNTJCRNYGSKS-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69128;MM69128;NCC(=CF)CN;MOKUPWHEJFDEGB-UHFFFAOYSA-N;104.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69129;MM69129;C=CC(=CF)CN;GIPFSYCKAFHMLU-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69130;MM69130;C=COC(C)(C=NN)CO;RXROXWKPCSIKDB-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69131;MM69131;C=NOCC(CO)=NOC;CSANNUGTEKBBRH-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69132;MM69132;CC(O)C=NN=CC=NO;BXIYJNKGQFHJPP-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69133;MM69133;COC1(CN)CC1;FHZDVWVTFMUBNC-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69134;MM69134;CNC(=N)C(C)=NN;ZUMMDDVIZVJJFZ-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69135;MM69135;C=NN=C(CO)CON=C;DVPUZPINWQVIBF-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69136;MM69136;CNN=CC(OC)C(C)O;KCMSFMIGNCLNIJ-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69137;MM69137;CNCC=CC(C=O)OC;FWJSFJATWZPRON-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69138;MM69138;C#CC(N)(CC)CC;WHNOKDNCUNZBLW-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69139;MM69139;C=NNC(=O)C(=C)C(=N)N;NBLJMQQZRMPORA-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69140;MM69140;CN(C)C=NN=CC=NO;DXPSHBYMEXBCRD-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69141;MM69141;CC#CC(O)(CC)C(=N)N;KRYOHLWGXMJBNI-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69142;MM69142;C#CC(C)(C#C)CN;LMTNCFUWFJYXQS-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69143;MM69143;CC(=CC=NNC=O)CN;WVDBZUBUTCWBIQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69144;MM69144;C=C(C)CC(CO)=NN;VXQAJYXVLWIZKQ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69145;MM69145;NCC=CCC=NNC=O;OKQHPZVDOVBQDO-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69146;MM69146;C=CC(=C)C(N)CN;BCXHFKUBNXLZAC-UHFFFAOYSA-N;112.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69147;MM69147;CC(O)C=CC#CCCO;ONDGILKVUZMSGS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69148;MM69148;C#CC=CC(N)CN;KEYQAJMWGYYUHW-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01973;MM01973;CN(C)N=CC#CCC#N;BLGOJQNBMXQLKQ-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69149;MM69149;C#CC(=NC)NC=C;JLQDPUAWKXUCJS-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69150;MM69150;C#CC(O)(C=C)C(C)(C)N;YWUHORFTHWZCPV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69151;MM69151;C=CN(OC)C(C)=N;MANNCDHTXVNDSN-UHFFFAOYSA-N;114.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69152;MM69152;CCC(CO)=NNC;PPDCUUTYPPQEIL-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69153;MM69153;C=CC(O)(CNC)C(C)F;RIMODSQGUYWXRD-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69154;MM69154;C#CC(F)C(C)(O)CNC;BETOKIUIEHEFAT-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69155;MM69155;CC(O)C=CC#CC=NO;YFZVOXPOFFOWCM-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69156;MM69156;C#CC(=CF)C(=N)N;JWJHECCXWKOJTM-UHFFFAOYSA-N;112.11;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69157;MM69157;CN(C)N=CC#CC=NO;DXKMXQVXGHWYFA-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69158;MM69158;C=NNC(C)C(C)(C)N;VLEOQTGCNWZXRY-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16371;MM16371;O=C(O)C=CC#CC=NO;LMABRVPBMUINMJ-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69159;MM69159;C=CCCCC#CC(C)F;OZEZRNNCEAEXFV-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2";;;;;;;2.39;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69160;MM69160;CC(=N)N(C)OC(C)C;VIZZNUYYARGWMF-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69161;MM69161;CC(O)C#CCCNC=O;AQEMQIYPCSIIKE-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69162;MM69162;C=CC(N)C(C)(N)C=C;YKGIRGRCFWGLPA-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69163;MM69163;CC#CCC(O)C(=N)NN;BOLGZEQURJPUIK-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69164;MM69164;C#CC(C)N(O)C=NN;OEUADNDALHIHCO-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69165;MM69165;C#CC(C)(C)NCCN;GGAKXTABCKMTAX-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69166;MM69166;CNC(=N)OC(C)CF;YUZDXVLYKWOMCN-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69167;MM69167;CC(C=CCN)C(O)CF;WTISHPLZEHUKHW-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69168;MM69168;CNC(C)C=C(C)C=O;HNPXZYNQEXTVGO-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69169;MM69169;CC(=CC=C(F)CO)CN;KQOBRKTUPYFKCO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69170;MM69170;CCCNC(=N)N(O)C=N;YOSCKSFRVHPICM-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69171;MM69171;COCCCC#CC(N)=O;DQQPSKRDMGVFNA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69172;MM69172;C=CCNN(C)C=NC;BPJISACERNFEJJ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69173;MM69173;CC=CN=C(NO)C(N)=O;SKFJXIXXLGSDEH-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69174;MM69174;C#CC(=C)C(=N)N(C)N;MQUXRTBULVGWBZ-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69175;MM69175;CC(=O)C#CCOCCO;REFMYRLJUOLPOU-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69176;MM69176;O=C(O)C#CCOCCO;CBBVKYYIXYIVKR-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69177;MM69177;CCN(O)C=NC=NOC;NKWIIVMAYIYWTM-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69178;MM69178;CC(=N)N(C)OCCF;ILWNSKJLJGBOKH-UHFFFAOYSA-N;134.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69179;MM69179;CC(F)(C=CCN)CO;VBENVYXFAYPKNP-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69180;MM69180;CC(=O)C#CCOCC#N;VDHURKOKZVRMTO-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16135;MM16135;N#CCOCC#CC(=O)O;DTGFDDKTERLMOE-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69181;MM69181;NC=NOCC#CC(=O)O;ZLDBDWMLWXIJNO-UHFFFAOYSA-N;142.11;-1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69182;MM69182;C#CC(CC)N(O)C(=N)N;YBZQJXMKZSDDTP-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69183;MM69183;CC(=CF)CNCCN;VVGRNNOLOZEKBC-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69184;MM69184;C#CCOCC#CC(N)=O;QJBPDSWNSKRLSW-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-prop-2-ynoxybut-2-ynoic Acid";MM03277;C#CCOCC#CC(=O)O;MSDYZUXVIAJCGU-UHFFFAOYSA-N;138.12;-0.28;11389420;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69185;MM69185;CNC(C)C(C)OC=O;VKKCKMFAGZKPQO-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69186;MM69186;CCC(=CC(F)CO)CN;VYXQGWKDLMMPAP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69187;MM69187;NC(=O)C#CCCC=CF;AIXFVANWMWEHQM-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69188;MM69188;C=C(C=CC)C(N)CN;MOOIMQHYQRSHTP-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69189;MM69189;CNC(=N)C(C)(C#N)CO;NRUSRJAZWANKKW-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69190;MM69190;CC(C=CCN)C(F)CO;PSJPKEZCSCRKFT-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16218;MM16218;CC=NNCC#CC(=O)O;NMLUACVZVCEAET-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69191;MM69191;C#CCCNN=CCO;SJZGLQVISAEYPT-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69192;MM69192;CC=NOCON=CNO;NWMDNSYZMKOWQO-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69193;MM69193;C#CC(C)(C#N)N=CNO;JVUJVQUTIZBWAL-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69194;MM69194;COC=C(C=CF)CN;KRRRUVNZBKSBNE-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69195;MM69195;C=CN(O)C(=N)CC;NPJNKOKFBWCRLO-UHFFFAOYSA-N;114.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69196;MM69196;C#CCC(CN)=C(C)F;IGTJLZDPWXRGIO-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69197;MM69197;COC(C)(C=CCN)CO;UMWWKINMIALEQT-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69198;MM69198;C=C(C)N(C=N)C(C)=N;XTDSVVFKRBKMOX-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69199;MM69199;COC=CCC#CC(N)=O;UEKUJDHJVPHQNY-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69200;MM69200;C=CC(=N)N(C=C)C=N;BFBZBCCWKQCJFR-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69201;MM69201;C#CC(C)=C(CN)CF;VQIYLHGTTFTPIZ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16285;MM16285;C=NN=CCC#CC(=O)O;WSRNQQMDGAEKMY-UHFFFAOYSA-N;138.13;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69202;MM69202;COCC(O)CC=CCN;ISJOASBHKTZGKC-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69203;MM69203;N#CC#CCC#CC(N)=O;FSRZFPNXNVNXNT-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69204;MM69204;CC(O)C#CC=CCCO;DMAYDVVWABYGNX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69205;MM69205;CC=CCN(C=N)NC;FTGKKTQJXDAQGP-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69206;MM69206;C=COC=CNC=NC;ASPXTNQIPLUORH-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69207;MM69207;CC(O)C#CC=COC=O;QVWJYLRLNWOEBS-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69208;MM69208;C=NNC=NN=CC;YTPYZPHUPUKTMB-UHFFFAOYSA-N;112.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69209;MM69209;CC(O)C#CC=NOC=O;OACCIAYPIYCGSQ-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69210;MM69210;CC(=N)NC(=N)C=C(C)F;WMQJMVSIXUFIBF-UHFFFAOYSA-N;143.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69211;MM69211;C=C(CO)OCC=CCN;XMAHNPSYQOCRIM-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69212;MM69212;C#CC(C)(N)CCN(C)C;CJOUMKHHRAUMAU-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69213;MM69213;C=COCC(=NN)NN=C;PKGIEMLWDGWIND-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69214;MM69214;CCN(C=NN)OC=O;WKBZWYZNWCJEQX-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16309;MM16309;CCNN=CC#CC(=O)O;UUFYFMQRKPTXEK-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69215;MM69215;CC(C)(F)CC(C)(O)CN;AVSQIHSHSITCJP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69216;MM69216;CC(C)C(C)(N)C#CCN;KDWXADLJEOUNAK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69217;MM69217;CC(F)CC(C)(O)CN;VJKMBUXLTOMIBG-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69218;MM69218;C=COC=CC#CC(N)=O;FMCPCTYOXYNVST-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69219;MM69219;CC(=O)C#CC=NNC=O;KYXVECQCVWWHCS-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69220;MM69220;CC(O)(CN)CCF;YBDZBSSYPKQEPF-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69221;MM69221;CNN=CCOC=NN;VFKVCGDHWLURFL-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69222;MM69222;O=CNN=CC#CC(=O)O;ZGFLZFYXNVVYKH-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69223;MM69223;CCC=NNCCC#N;VZJRBCXVQMAYDS-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69224;MM69224;COC=COC(C)(C)CN;SZQFSBBEULFSAZ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69225;MM69225;C=COC(C=CCN)CO;MDRRWPPHKUQDLI-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16201;MM16201;NN=CC=CC#CC(=O)O;FVPOCPRKDUBXAT-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69226;MM69226;CON=COC(C)(C)CN;USMZVHUFDSHBQJ-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69227;MM69227;C=NNC(N)=CC=O;RQTGPBALNYAKKP-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69228;MM69228;CCOCCC(C)(O)CN;QQDMEJVRPDIRRL-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69229;MM69229;CC(O)C#CC#CCCO;CYWISHMQNSUUHD-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69230;MM69230;CNCC(C)(NC)C(C)F;KKUFKFOIYFAMKM-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69231;MM69231;C=COCCC(C)(O)CN;XOCNYMKETDKESQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"7-hydroxyhepta-2,4-diynoic Acid";MM03210;O=C(O)C#CC#CCCO;JHTSRZCMYMDPHN-UHFFFAOYSA-N;138.12;-0.54;55302320;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69232;MM69232;C#CC(C)(NCC)C(C)N;GAMKEFBPQSLDGV-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69233;MM69233;C#CCCC(C)(O)CN;LMOVFPHYWAQWQN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69234;MM69234;C#CC(C)CC(C)(O)CN;NKIXQBLFXROAIN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69235;MM69235;N#CCC#CC#CC(N)=O;BRMSQVGCRAZAAO-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69236;MM69236;CC(O)C#CC#CC=NO;YXUXINXACWUZKF-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69237;MM69237;C=C(C)CNN(C)C=NC;IJOGVWMISJMETC-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69238;MM69238;CC(CF)CC(C)(O)CN;FGNMDTBXEJVGLU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16166;MM16166;O=C(O)C#CC#CC=NO;UNBCFBOTGZTFME-UHFFFAOYSA-N;137.09;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69239;MM69239;CNC(=N)OC(C)COC;ZFYKEQOLJYNBCN-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69240;MM69240;CC(C#N)NC(=N)CCF;JZJZTRRVZMZXFG-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69241;MM69241;C=C(CN)NC(=N)C#CC;DDBMOICHWVLVTE-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69242;MM69242;COC(=CC#N)NC(C)=N;YMFBMZPEWQNRJK-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69243;MM69243;C#CCC(=N)NNCCC;MLZNLUOBBISGQZ-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69244;MM69244;C#CCC(N)C(N)C(=C)C;LRWBMUZNKXBMKH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69245;MM69245;CNCC(N)C(F)=C(C)C;RTPMSPLFFMWBDF-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69246;MM69246;CC#CC(C=NN)CNC;YRLMEZCWWNBAMY-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69247;MM69247;C=NN(C=NO)C(C)(C)C;LZBFKNMOFTXMJN-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69248;MM69248;C=CC(C)CC(C)(O)CN;ABKQMBVZGVGKFE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69249;MM69249;C=C(F)CCC(C)(O)CN;WXKXKOMDGMTZSW-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69250;MM69250;C#CC=C(CNC)COC;MMOUKZJNARREKR-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69251;MM69251;CCC(C)(CN)NCCF;LDRBUFQPLFLESQ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69252;MM69252;C=CC(C)(CN)CNN=C;GRAVWJJIAUDHRH-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69253;MM69253;C=CN(C=NO)CCF;KUGGZPWDHSMBMY-UHFFFAOYSA-N;132.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69254;MM69254;CC(C)C(=O)NC=N;VOZPEPWYUJTWGX-UHFFFAOYSA-N;114.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69255;MM69255;CC(C)CC(C)(O)CN;PEQWZSACCRHADO-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69256;MM69256;CCC(CF)(CNC)NC;QYJOTNPMITWOMV-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69257;MM69257;CCNC(C#N)C(F)C=O;FEVGQZROHJZWCW-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69258;MM69258;C=C(C#N)COC(=N)NC;UYDFHPQBBJTTPQ-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69259;MM69259;CC(C)=COC=NNC=O;MCKPGIWFUXCEOS-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15434;MM15434;O=CNN=COC=C(F)F;NBHKVSJJYPVZTI-UHFFFAOYSA-N;150.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69260;MM69260;C=CCCC(C)(O)CN;KESKINPTGALSAZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69261;MM69261;CC(F)CCC(C)(O)CN;KNKLUPXZADTHHW-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69262;MM69262;C=C(C)CCC(C)(O)CN;LHHKDBOKJVCBTN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69263;MM69263;CC(O)(CN)CCC=CF;RNSGUYUYNKIATE-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69264;MM69264;C#CC(=C)COC(=N)NC;HCFJFGOQMIHJRM-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69265;MM69265;CNC(=N)OCC(C)=NN;BAMQJJMMEFRBJM-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69266;MM69266;CC(C)=NN=COCCO;WSSGHOTWXSVFCO-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69267;MM69267;CC(=CC(=CF)CN)CF;XXZNDYFCANDGTO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69268;MM69268;CCCC(C)(O)CN;JSELUEZGSGRXKT-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69269;MM69269;C#CC(=CC(N)CN)CC;TXCRJXACEVCSIT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69270;MM69270;CC(C)=NN=COCC#N;SUINOBJBDMVAIU-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69271;MM69271;C=CC(C=C)=CC(N)CN;NTYKWFDDEHSRSH-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69272;MM69272;CCCCC(C)(O)CN;MBDJXHDBQNHQFE-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69273;MM69273;CCC(COC(C)=O)NC;MDMJFAIBCYSEBX-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69274;MM69274;C#CCC(C)(C)NNC=O;LBLBNNUDKJUZEC-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69275;MM69275;CN(C=N)C(=N)CC=NN;GARYPWZIIMZZFZ-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16080;MM16080;N#CC=NN=CC=C(N)N;JTSWTERBHKTMCV-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69276;MM69276;CCC(=N)N(C)C=NC=N;YOQYXKFKWXTEPG-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69277;MM69277;CC(O)(CN)CCCCF;ODVNUCIYUSQNQV-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69278;MM69278;C=CCCCC(C)(O)CN;VDIAMKZRLQMTCM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69279;MM69279;CC=NOCC(O)C(C)O;LWYBCKDRCOIFBQ-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69280;MM69280;CC=NOCC(O)COC;RWEBNYILLGOGHM-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69281;MM69281;CNN=CCOC(=N)NC;FWCYUTZKYYHQIE-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69282;MM69282;CNC(=N)OCC=NOC;FDVIXKVDJOCWRL-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69283;MM69283;C=C(CF)NC=NCCN;UVIUKTHEJRDGQY-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69284;MM69284;N=C(CC#CC=NN)NN;NWAMUBFTHIUQEF-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69285;MM69285;CNC(=N)C#CC#CCN;VJCBPSXNBGNAEU-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69286;MM69286;CCN(C)C(CN)CCF;OVEISMQJMCJDQP-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69287;MM69287;C#CC(NCC)C(C)C=C;MDAPRRYRJVWRBR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69288;MM69288;C=C(CN)C(=COC)OC;UEHRLYYPXKAHNH-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69289;MM69289;CCC=C(CN)OCCN;DIEPJCFOTCKUFE-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69290;MM69290;C=NOC(OCC)C(C)O;ADPLGOSWMLQEOJ-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69291;MM69291;CCCC(O)COCCO;MIVJAXJQPQOBNY-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69292;MM69292;CCC(C)(O)CN;LHYVEOGDJNQNEW-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69293;MM69293;CC(C)N(C=N)N(C)C=N;OBOIZLGNGRLBGY-UHFFFAOYSA-N;142.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69294;MM69294;CNC(C)(CN)CO;ZDLZZDAEXCAVAD-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69295;MM69295;CCC(C(=O)OC)C(C)N;DBQGCFVOOMYRCC-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69296;MM69296;C=C(C)C(=COC=O)CN;HLDZDMLBQPMSMH-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69297;MM69297;C=CC(NC)C(N)C=CF;MXXZGHDZVHWUHO-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69298;MM69298;C=CC(CN)=C(F)CNC;KUHQGQTUWYIJQV-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69299;MM69299;C=CCNC=NCC=NN;RJGYWNHECRWSKQ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69300;MM69300;CNCC1CN1;QTNNFMKXKWFWQL-UHFFFAOYSA-N;86.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69301;MM69301;CC(CCO)OCCCO;WIDPVBLGWWDBQI-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69302;MM69302;COCCOC(C)CCO;BKEFYFQLVLSBJI-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69303;MM69303;CC=CC(N)CN;KZMRMQYRCJQQFE-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69304;MM69304;CCOC(C)OCCCO;KZXMDHRPTRVMGD-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69305;MM69305;C#CC(F)=CCN;JHHUEIZAZFHGAD-UHFFFAOYSA-N;99.11;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69306;MM69306;CNC(=NC(=N)NN)NO;FQNRZMQFHGZQNY-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69307;MM69307;CCN(C=N)C=N;UKULZLQRGBZHGP-UHFFFAOYSA-N;99.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69308;MM69308;CC(C)=CC(N)CN;DTVKKUCHQMUJFY-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69309;MM69309;CC#CC(F)=CCN;JIWQYEUGBNVDCL-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69310;MM69310;COCC(O)CCCC=O;UCTDOLPLPPJMIH-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69311;MM69311;CC=NNCC(F)CO;UIEFOZPKSKPKBA-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69312;MM69312;C#CC(C)N=C(NC)NO;TZAZCBKEEQKKNG-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69313;MM69313;C#CC(F)C(=C)CN;ZYWRDMNVLKUJNC-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69314;MM69314;CNC(=N)NCC#N;WHGCPIFSTBDXBM-UHFFFAOYSA-N;112.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69315;MM69315;CCC=CC(N)CN;NJGQFTYOBZWBPH-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69316;MM69316;C#CCNC(=NC)NO;OHPHGONTPGFSHE-UHFFFAOYSA-N;127.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69317;MM69317;CCN(C=N)CC#N;MYXRCHFMTLQGOE-UHFFFAOYSA-N;111.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69318;MM69318;CC=NOCC(O)CCO;FKCVEJNHXRFCBB-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69319;MM69319;C#CC(=C)C(CO)ON=C;IIAWUVDIMHVCGD-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69320;MM69320;CC(O)COCC=CCN;MKKZOKQKPGQZKC-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69321;MM69321;C=CC(=COC)CN;ZNBJUMSCHYMFPB-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69322;MM69322;CCN=C(NO)C(=O)NC;ZQQIXXNLGVNACZ-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69323;MM69323;C#CC(NC)C(C)C;WIYRTPAPPABIEX-UHFFFAOYSA-N;111.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69324;MM69324;C=CCOCC(O)COC;DAJQDKKDVFBUTA-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69325;MM69325;COCC(O)COCC#N;HFYAPVAQBSJFGD-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69326;MM69326;CC=NOCC(CO)OC;HFNLPNUMRDHDNU-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69327;MM69327;C=CC(C)(N)CN(C)C;CHOILYSEAXYKMD-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69328;MM69328;CC(CCO)OCCC#N;ALPWSCJAWDFIDD-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69329;MM69329;CN=CN(C)NC(C)C;ACUZECNAIGFBKQ-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69330;MM69330;COCC(C)OCCC#N;PRECESOKWXFYFT-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69331;MM69331;CCC(N)CC(=O)OC;STSLIPZQSYMYNW-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69332;MM69332;CCC(C)=CC(N)CN;KFXHPJJJTWJVBK-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69333;MM69333;CC(=CC(N)CN)CF;IFALUKNFJXWVPI-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69334;MM69334;C=CC(C)=CC(N)CN;YQKZZVDDGFWKME-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69335;MM69335;CC=CCC(=N)NO;IVSSWMGWIOJZBK-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69336;MM69336;CC(C)C=CC(N)CN;WBVVOYVMGKHMSG-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69337;MM69337;C=C(C)C=CC(N)CN;LZQSGNJXYLCBDY-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69338;MM69338;N#CCC(O)CCCCF;ZYEHSXWBNIAQNQ-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69339;MM69339;COC(=O)C(C)C(C)N;RNMOPCBIOYTHPD-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69340;MM69340;N=C(CC=CCF)NO;AXKUAZLXXXQDSG-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69341;MM69341;C#CC(C)CNCC=C;OJRDFCAXUOODDZ-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69342;MM69342;CC(CN)NCC=CF;PJCHVELIWUIUBY-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69343;MM69343;C=CCC=CC(N)CN;JGQVCBNTRSAEJF-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69344;MM69344;N#CCC=CCC(=N)NO;HJCGATGMRFJTMM-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69345;MM69345;CC(CC#N)COCCO;AQOYXIJGEVWYMW-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15880;MM15880;O=CCC(F)COCCF;NSAGOIWSIBJXCM-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69346;MM69346;CC(C=CCN)(CO)CF;QPBJJVYKFCKKPW-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69347;MM69347;C=C(CN)CC(=CF)CO;FARWKMQJEJHQCD-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69348;MM69348;CC#CC(F)=C(C)CN;GDJNCLFHIBFQFB-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69349;MM69349;C#CC(C=CF)NC=N;VVCPHQDLKFZLAA-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69350;MM69350;C#CC(OC=C)C(=N)N;KFEZHZANHOBSNM-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69351;MM69351;CNCCC(C#N)CF;AGPBPGGOTBIHHB-UHFFFAOYSA-N;130.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69352;MM69352;C=CC(=COC=O)CN;COLPYTJXIVOYBO-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69353;MM69353;CC(C)(F)C=CC(N)CN;LNJCIZLEJMLHEO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69354;MM69354;CC(=CC(=CF)CO)CN;CSIJNSLZKACCBN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69355;MM69355;C#CC(C)(C)C(=N)NNC;CQMPCBBIXQEPDQ-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69356;MM69356;CNCC(CO)CO;XQQRDUJIAAHJTQ-UHFFFAOYSA-N;119.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69357;MM69357;CC(CC#N)OCCCO;VXUZEACPUJTMTF-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69358;MM69358;C#CC(C)(CC#N)NC=N;LRGFCUKXPHJYEG-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69359;MM69359;CC(OC=O)OCCCO;QQBCQVBRQJVJDC-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69360;MM69360;C#CCN(O)C=NN(C)C;PIMMMDYBUUFPLB-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69361;MM69361;CC(=CC(N)CN)C(C)C;VDROKRVAFMKXGJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69362;MM69362;NCC=CCC#CC(N)=O;RKTYADGZXNSPKM-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69363;MM69363;C#CC(O)CC(C)=CCN;XPQARVZKQVDXBE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69364;MM69364;N=C(N)C(F)(F)CC=O;PERZUUCQYIJDSR-UHFFFAOYSA-N;136.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69365;MM69365;C=C(C)C(C)=CC(N)CN;SYLSFECICYJMOQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69366;MM69366;CC(F)C(C=CCN)CO;SUZCLLABMUVKNA-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69367;MM69367;C#CC#CC(F)C(=N)NO;BAHHUQSQRCGIEF-UHFFFAOYSA-N;140.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69368;MM69368;NCC=CCC(CO)CF;BIINASVTUGXGCX-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69369;MM69369;NCC=CC(C=CF)CO;XUAZVGVFWUNMGA-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69370;MM69370;NN=CC(=NN)NO;IANMOSTZSALHRK-UHFFFAOYSA-N;117.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69371;MM69371;C=CCC(O)COCC#N;VXHRQIWQKKDJLJ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69372;MM69372;N#CCC(O)COCC=O;WOAZEDAAKUJBSX-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69373;MM69373;N#CCOCC(O)CC#N;FOWJFUIEKOFPMG-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69374;MM69374;N#CCC(F)COCC=O;JWTOXZUVYSJFAS-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69375;MM69375;N#CCOCC(F)CC#N;CSXCMJWRBUZPCO-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69376;MM69376;C=C(C#CC(C)N)C(C)N;SJOXVTNTYYNPFW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69377;MM69377;C=C(CN)CC(F)=CCO;NGFJPTBYEUURIG-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69378;MM69378;CNN=CC(=CC=O)CO;SHWCFHUBWQLSBD-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69379;MM69379;CC(F)CC=CC(N)CN;BQJCAMUCQOLZHM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69380;MM69380;CC(CCOC=O)NC=O;DUVBDLQUMUDDFI-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69381;MM69381;C=C(F)CC=CC(N)CN;KZWQULRYTSPGRH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69382;MM69382;CC(F)=CC=CC(N)CN;SMGFIVFQZRMEGQ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69383;MM69383;CC(O)CC(F)C=CCN;ZANHYEDYADFDJB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69384;MM69384;CNC(=N)OC(C)CC#N;WUSUDGUDTXOUEH-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69385;MM69385;C#CCC(=N)NC(=N)C=C;KFTANQUPYQSAKI-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69386;MM69386;CC(COCC#N)NC=O;RCSCHGYJAKCHCS-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69387;MM69387;CCCC(C)=CC(N)CN;JEYFJCXSHXKATO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69388;MM69388;CC(=CC(N)CN)CCF;SEMFVWPBSMGMKF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69389;MM69389;C#CC(O)C(C)C=CCN;XYPFJRSMHABTNM-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69390;MM69390;CC(F)CCNCCO;XFJMCHLHQKOYCJ-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69391;MM69391;C=CCC(C)=CC(N)CN;SCNMMWOBEPCWCB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69392;MM69392;C#CC(C)(O)CC=CCN;LUPOYOUJTLCYCY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69393;MM69393;CC(N)(C(=N)N)C(N)=O;SFCXISMLFXPRCW-UHFFFAOYSA-N;130.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69394;MM69394;C#CCC(C)=CC(N)CN;VVJUREKWRMDJEQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69395;MM69395;NCC=CC(F)CCCO;WUOXIKPYUZKZTB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69396;MM69396;CNCC(CN(C)C)OC;QBPNJIMRLGCTCW-UHFFFAOYSA-N;146.23;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69397;MM69397;C=C(C#CC)C(=N)NNC;ZLCUHWNNDIYYPQ-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69398;MM69398;CN(CCCC#N)NC=O;FVEGXGVARZRNRM-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69399;MM69399;C=C(C(C)F)C(CN)NC;JUAFTCYQOHLUKO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69400;MM69400;C=C(C)C(N)CC=NNC;NFJHALLIXOEUCM-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69401;MM69401;C#CCOCC(O)CC#N;USWIHDLORYFJJE-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69402;MM69402;CC(F)=C(C)CNCCN;QOZONYIRCMWGMD-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69403;MM69403;CCOC(=O)C(C)C(C)N;FMLDWVZXTNBACN-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69404;MM69404;C=NNC(C)C(=C)C(C)N;XBLXUNNOCQVBMF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69405;MM69405;CC#CC(F)C(N)C(C)N;WACVPGUEJLBHIJ-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69406;MM69406;C=NN=C(C(=N)N)N(C)C;VFXZBPGPZPFMTE-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69407;MM69407;CNCC=CC#CCCO;ZOBRCESFSLHICR-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69408;MM69408;COCCC(C)(CN)OC;XUQXRPKUECUCAF-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69409;MM69409;CC=NOCCOCCO;APEBHNQORDZVJO-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69410;MM69410;C=CC(C)C=CC(N)CN;RKQXNMWSCMTLIO-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69411;MM69411;CC(=CC=CCO)CN;WLJZRKGZJMNVLD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69412;MM69412;C=CC(=C)C=CC(N)CN;ROOMCHMAOUWYQZ-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69413;MM69413;C#CCC(O)COCC#N;QHKFNVFTJWQROT-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69414;MM69414;CCC(=CC(N)CN)CF;MMHJFDOOFYSSAI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69415;MM69415;CC(=O)NCCC=CCN;QSFDBZGGRICWKV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69416;MM69416;C#CCOCC(O)CC#C;XUVQZUUBAREUPZ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69417;MM69417;C=CC(C)N(C)C(C)CN;VIXIJXIJUFUFOI-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69418;MM69418;CNC(C)CN(C)C(N)=O;RVAUZRMNFXNDPR-UHFFFAOYSA-N;145.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69419;MM69419;C=CC(C)C(=C)C(N)CN;JSDVMVDKQNOUPG-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69420;MM69420;CCNN(C=CF)C(N)=O;XERQXPAMJXDKDJ-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69421;MM69421;C#CC(C)C(=C)C(N)CN;GTHIPZKPVFVWPR-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69422;MM69422;CC(CC=CCN)NC=O;UUZAWOMSPIHGSL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69423;MM69423;C=CC(C)=C(C)C(N)CN;RGACCMWPOJYZSW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69424;MM69424;C#CC(C)=C(C)C(N)CN;VUKPTZFUWKTEPZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69425;MM69425;C#CCNC(=N)C=CC#N;ADKIKGDUHWGFQW-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69426;MM69426;CCC(=CCCO)CN;SQPTURGCWMFCMB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69427;MM69427;CC(CN)N(C)CCCF;MZRSSIHVXLGASW-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69428;MM69428;C#CCCN(C)C(C)CN;GEOHJJPEPXPCHE-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69429;MM69429;CC=COCCN(N)C=N;HOPIFGJRUAEVSF-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69430;MM69430;CN(C)C=C(C#N)CC=O;LOBMCEUMZVGWES-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69431;MM69431;NCC(=CCCO)CCF;NNLLYYPUXXRFLA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69432;MM69432;CNC(=N)OCC=COC;ACCKAJBYSAJAEE-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69433;MM69433;CNC(=N)OCC=CC#N;DTUPSHOBNHUGOT-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69434;MM69434;C#CC=CCOC(=N)NC;FTNABXAUYHRXHA-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69435;MM69435;CCCC(=O)COCCO;KNEFRCPFJALUQW-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69436;MM69436;CCCC(=O)COCOC;MXYSFAWOWMHDEM-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69437;MM69437;NCC(N)C=CCCCF;GCTBLPKQKBZPEK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69438;MM69438;NCC(N)C=CCC=CF;YKIHPRRNYIWSSH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69439;MM69439;C=NN=CC=CC(N)CN;DABNORMODDDZSR-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69440;MM69440;CNCCC#CC(=O)C#N;LMVRSSKRBROPRM-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69441;MM69441;C=C(CO)CC=CCN;JXOWEFZTQWABPD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69442;MM69442;C=NNC(N)=CC(N)=O;NXBMOEHKZUVRDR-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69443;MM69443;CCNC(CN)C(C)=CF;UVAXOLVIVXQIBY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69444;MM69444;NCC=CCCO;NFSIVLUYTUNGNA-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69445;MM69445;C#CCC(C=C)NCCN;VVJRDBKZLZETLE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69446;MM69446;C#CC(C=O)N(C)N=CC;SXTOXUYADCXPDN-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69447;MM69447;CC(=CCN)CCCO;ODZXQXDURDLLMJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69448;MM69448;CC=C(CN)CCCO;PYGVBQRZNWZYEH-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69449;MM69449;C#CC(CN)CNN=CC;LTMDLXWNBDEUFR-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69450;MM69450;NCC=CCC=CC(N)=O;LHAIXPLKBNKVHZ-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69451;MM69451;CCNCCC(C#N)=CN;KLDHYTYIYUKZOO-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69452;MM69452;C=C(CCO)OCCCO;HTEWMKVCWGZAKE-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69453;MM69453;CCCOC=C(CN)CN;GCWIBKQXDQOCHL-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69454;MM69454;CC=COC=C(CN)CN;PVEIFFWUBIESHW-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69455;MM69455;C=C(CCO)OCCOC;CYTIMAIYAALFJI-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69456;MM69456;C#CC(CN)C(N)C#CC;MTRGKWVNYVPPJD-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69457;MM69457;C=CC(N)CN;CERVUYGDADTULU-UHFFFAOYSA-N;86.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69458;MM69458;COC(C)(C)CN;ZSTYQALWKOGXOV-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69459;MM69459;C=C(COC)OCCOC;XYDFIVCLHQWJKX-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69460;MM69460;C=C(C)C(N)CN;PZJWIUGWGQJUGN-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69461;MM69461;CCN=C(C)NC=N;HPIBHMVYSGILTC-UHFFFAOYSA-N;113.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69462;MM69462;C=C(CC)C(N)CN;IUZYMZNMIIWIQK-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69463;MM69463;NCC(=CCF)CCCO;QAGDHCSQBAYRNX-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69464;MM69464;CNN=C(N)C(=O)N(C)N;LIUHKVYDXHKVLS-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69465;MM69465;CC=C(C)C(N)CN;ICZBOHMNTCTVNA-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69466;MM69466;CC=NNC(=N)N(C)NC;HAKUXPBFJBMFJC-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69467;MM69467;C=CC(CCF)NC;AWOLQTLZZYNBAH-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69468;MM69468;C#CC(C=CCN)CO;WAKDHHSNRRRBSI-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69469;MM69469;C#CC(=CCN)OC;WOUXONLTVBVOQW-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69470;MM69470;CNC1(CN)CC1N;FKFLRSSMYGZYFK-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69471;MM69471;CCCC(=O)COCC#N;DBZQFQGFSACIGK-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69472;MM69472;N#CCOCC(=O)CCO;NSDXVNUBPQMEAO-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69473;MM69473;C=C(COC)COCC=O;SQIKLBOAYIZFPO-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69474;MM69474;C=C(COC)COCC#N;HZNMOHZIYQADFW-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69475;MM69475;C=CCOCC(=O)COC;XOQMXNJZAPESFJ-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69476;MM69476;CC(=CCN)CCC(N)=O;IXIQSLULHPAOTC-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69477;MM69477;C=NNC=NNCCCF;VYOGAZSAQIWLLW-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69478;MM69478;NCC=CCCCO;QCESBVISIYNKHW-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69479;MM69479;C=C(CNC)CN(C)C;CCJHRZUKCDCSSM-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69480;MM69480;C#CCC(N)C=C(C)C;BWHFDEFCHZIFTE-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69481;MM69481;CCC(N)(CF)C(C)C;ZRWSXABPHSGBAW-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69482;MM69482;CONC(=O)CNCC#N;FFLJTFVLUGZLJX-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69483;MM69483;C#CCCNCC(=C)C;VOJXJAKLWUBWCJ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69484;MM69484;CCNC(=O)COCC#N;LYIUXUHCILFLDA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69485;MM69485;CC(CN)=C(C)CCO;WZFZGSGPKGCFCI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69486;MM69486;CCN=C(C)NCC#N;YSTUSYWSSZDAAI-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69487;MM69487;CNN=CC(F)=CCN;DDUJQGZCASZLPU-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69488;MM69488;CON=CC(F)=CCN;CETYLKQNXNIQAN-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69489;MM69489;CCOC(=O)COCC#N;RUBHYEOIQWSTJY-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69490;MM69490;C=C(C(C)C)C(N)CN;VHCKEDYJIOFVRG-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69491;MM69491;COCC(=O)NCCC#N;UCQDAMXPPNIZBJ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69492;MM69492;CC(C)=C(C)C(N)CN;XVCDGUDKTIAKFH-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69493;MM69493;C=C(CN)CC=CC(C)O;UMSIKTFWWVEMKS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69494;MM69494;C=C(CN)CC(=C)CCO;PFKPHXBRNDENGQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69495;MM69495;CCCON(C)C(C)=N;SGQJTGQRJCLDMJ-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69496;MM69496;CCNC(=O)NNCC#N;ARTAYXNSLCSCDH-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69497;MM69497;COC(=NC=N)NCC#N;WQLQUSKHAFVTBF-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69498;MM69498;C=CCONC(=O)NCC;OGNXIJXFNWOSHL-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69499;MM69499;CCNC(=O)NOCC#N;QUWKDJRSJQUOTM-UHFFFAOYSA-N;143.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69500;MM69500;CNNC(=O)NOCC#N;HKSRYIUCBKFTQX-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69501;MM69501;C=NNCC(=C)C(C)N;FLIDYHCVTVRFNN-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69502;MM69502;C=C(CCO)OCCC=O;OUSOCWMHRDDCGT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69503;MM69503;C=C(CCO)OCCC#N;OZXJHINODJQFQB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69504;MM69504;C#CC#CC(=N)N(C)C;IEZLNUFMAOHURC-UHFFFAOYSA-N;120.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69505;MM69505;C=C(COC)OCCC#N;SPPJFXYWHIZILD-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69506;MM69506;C=COCOC(=O)CCO;ZRWOLHJIFNSVFY-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69507;MM69507;C=C(CCC)C(N)CN;QFQGGMJQPNNMEM-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69508;MM69508;C=C(CCF)C(N)CN;PRCUOYZJURAJIQ-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69509;MM69509;C=CCC(=C)C(N)CN;WYDFPGUGPCTSPQ-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69510;MM69510;C=C(COC)OCOC=O;OMBMEBMRZFLVDQ-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69511;MM69511;C=COCOC(=O)COC;HDQYIQZNECSRJN-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69512;MM69512;CON(C)C(=N)NC=N;BBODNFMOBDIMQX-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69513;MM69513;C=NNC(CCF)=NN;RSFNSBQGIGDXJM-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69514;MM69514;CONC(=O)OCCC#N;BJOKXIGSLWTFLG-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69515;MM69515;CCC=C(C)C(N)CN;CUBFDACEVFUYCH-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69516;MM69516;C=COCOC(=O)NCC;BFVUGZVXLXTSLQ-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69517;MM69517;CC(=CCF)C(N)CN;YVIJADHEOBXICW-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69518;MM69518;C=CC=C(C)C(N)CN;QVZTWMAZTVHKGQ-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69519;MM69519;CCOC(=O)OCCC#N;MVWCONSYGHBPMJ-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69520;MM69520;C#CC=C(CN)COC;PBWAUVFNGSXPPX-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69521;MM69521;C=CCC(CN)=C(C)F;YNKGKYBNEFJKHW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69522;MM69522;CC(C)=C(CN)C(C)F;HFEGQFPKBGSYDM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69523;MM69523;C#CCOCC(=O)CCC;YBPRFKKFKRJNRV-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69524;MM69524;C#CC(C)C(C=C)NC;CVIYRJWGGMSZIE-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69525;MM69525;C#CCCNC(=O)COC;KKQHMOYXEVANGU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69526;MM69526;C=C(OC)N(C=N)CC;JHUMXTIXESLEJF-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69527;MM69527;C=CC=NOCOC=NN;LRCOWXHHXQQCKD-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69528;MM69528;C#CCCNC(=O)NCC;UMUDHZCERWCLEA-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69529;MM69529;C=C(C=C(C)CN)CCO;NFCYKJFMQNTEJX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69530;MM69530;C=NNC(C)(C=O)C=O;OGKGLLIVWKJZPF-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69531;MM69531;C#CCONC(=O)NCC;KNWYMJFQNZLKLA-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69532;MM69532;C#CCONC(=O)OCC;VNXYYVQFJPOHPF-UHFFFAOYSA-N;143.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69533;MM69533;C#CCCOC(=O)NCC;KFVNYHJAQOUNPM-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69534;MM69534;N#CCC(=O)CCCCO;MWBRCMHMDNKQNI-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69535;MM69535;C#CC(OC)C(=C)CN;PHDAVDHGIZIFND-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69536;MM69536;CC(C=CCN)CCO;FMMAHQLSVXBXSJ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69537;MM69537;C#CC(CO)C(C)=CCN;HDDIFQNTVKVTGQ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69538;MM69538;C=CNC(=N)CC#N;XEOKPECTMFBENQ-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69539;MM69539;N#CCC(=O)COCCO;YWGJEEPYAMHIEZ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69540;MM69540;C=C(CC=O)COCOC;TWDSBBOPVJAPRR-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15902;MM15902;C=CCC(=O)COCOC;UDKKIUPQBVSXFJ-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69541;MM69541;C=CNC(=O)CCCOC;UMVUMNSTRPGZKM-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69542;MM69542;C=C(C=C(C)CN)C(C)O;UCEABTWWNKNZTP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69543;MM69543;C=CN(OC)C(=O)NC=N;AZLDIQNQIAMOCY-UHFFFAOYSA-N;143.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69544;MM69544;CC=C(CC)C(N)CN;UBKVHEZMKOSFMT-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69545;MM69545;C#CC(OC)=C(C)CN;RHPQJFXXHDPFNJ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69546;MM69546;CNC(C)C#CC(C)(C)N;KQXMDDBVPRTXRI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69547;MM69547;C=CC(C)(N)C(N)C(=C)C;SWNHPTKRYCHCIK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69548;MM69548;CC(C)(C=CF)NCCN;LAOHQLJPNAGSQE-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69549;MM69549;CNCCNC(C)(C)C#N;CBHJBCZFURTDLT-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69550;MM69550;C#CC(N)(C=CC)CNC;HDEUEEKQEGNTNS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69551;MM69551;CC#CC(C)(CN)NC=N;PTFFORGAOLDXGZ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69552;MM69552;C#CC(=O)NC=N;NUIQZUNTPBMKNE-UHFFFAOYSA-N;96.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69553;MM69553;C=NNC(=O)COCCO;SITZBOYYHZWREY-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69554;MM69554;C=CC(N)CC(N)C(=C)F;WXFZZXDFPJELIY-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69555;MM69555;CC(F)=C(C)CNC(C)C;AVHUDSQXODTGKS-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69556;MM69556;C=C(C)CC(=C)C(N)CN;WLIDIURCFVSJLB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69557;MM69557;CC(=CC(C)C)C(N)CN;IATMFFHNVZUKRF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69558;MM69558;C=C(C)C=C(C)C(N)CN;WERMSDVAIIMWOQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69559;MM69559;CONC(=NO)NO;OVBAYTUVEXIRLX-UHFFFAOYSA-N;121.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69560;MM69560;CCCCNC(=O)CC=O;PVWAVSAIGBNVEN-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69561;MM69561;C=C(F)CC(CN)=C(C)F;PXWONYNAOJQRGK-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69562;MM69562;CCCNNC(=O)CC#N;OEPSSULSFMTAFK-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69563;MM69563;NCC#CCC(N)C=CF;LNHXKQHAHZROME-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69564;MM69564;N#CC(F)=CC(=O)NC=N;LABOIHOJCQSRPY-UHFFFAOYSA-N;141.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69565;MM69565;CC=CN=C(C)NC=O;RMOYOJUSGIVXOR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69566;MM69566;C=NNC(=O)NCCCO;XKHWVXSYORAEIX-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69567;MM69567;C=NNC(=O)NCCOC;ODHGYCNIBBLSBJ-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69568;MM69568;C#CCC(C=CCN)CO;YSBXWCKSWLDLFF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69569;MM69569;C#CC(O)C(=NC)NN=C;XNDGTSXOGKXBOP-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69570;MM69570;CC(O)CC=CCN;AENYVVZIHNWHMG-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69571;MM69571;C=C(CC#N)OCCCO;WIQQNKKXJJXFSG-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69572;MM69572;C=C(CC#N)OCCOC;BFQHWIQGOZHASX-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02867;MM02867;CCOCOC(=O)CC=O;TZYRLCFYMKTCEM-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69573;MM69573;C=C(CNN=CC)C(C)N;FDGNPSGPPQWLMY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69574;MM69574;CCCCOC(=N)NC=O;GVAAPSWKRIBWLD-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69575;MM69575;CCCCOC(=O)NC=N;PCTNSKJURJWHDE-UHFFFAOYSA-N;144.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69576;MM69576;C=NNC(=O)OCCCO;LEZIWWQVODXAFQ-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69577;MM69577;C#CC(C=CCN)C(C)O;VPLFNLBOOXXGTR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69578;MM69578;C=C(C)N(C(C)=N)C(C)=N;USMXGVAKSLLZDN-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69579;MM69579;C=C(NC=O)OCOCC;HWLGOPMMVTWCOQ-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69580;MM69580;CNC(C)CC(C#N)=CN;GFWSPOFLAJRRGY-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69581;MM69581;C#CC(C#C)=CC(=N)NN;PTDJCXVZXOMPPL-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69582;MM69582;C=CNC(=O)OCOCC;XMIWEXQATZTCIG-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69583;MM69583;CC(CN)=C(C)CC(C)O;UXRLGJIKLYQXMU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69584;MM69584;CC=NOCC(C)(O)CO;ORRFOTRKYAMZMI-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69585;MM69585;C=CC(O)C(C=O)ON=C;AEXMMEXJVQJSCC-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69586;MM69586;C=C(C)C(C=CCN)CO;SKMULGFCEMPVDZ-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69587;MM69587;CN=CNC(C)C=O;YCGDGJNKDXGCDF-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69588;MM69588;CC(O)C(C)C=CCN;IEUPJJNWSRRJJT-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69589;MM69589;C=C(CC=O)CCOC=O;USMRKQRXVYWXNT-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69590;MM69590;CC=NN=C(C)NNC=N;BXLQQBXNSATKBJ-UHFFFAOYSA-N;141.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69591;MM69591;C=C(CC=O)COCC#N;SVDKRBXLNVRTLH-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69592;MM69592;C=C(CC#N)COCC#N;REWZMMUNWDSBQC-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02612;MM02612;C=CCC(=O)COCC#N;GSOYOAQIHAKBKL-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15864;MM15864;N#CCC(=O)COCC=O;WZFCPZVGDDDFBM-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69593;MM69593;N#CCOCC(=O)CC#N;CWXNQPJYIOBHJU-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69594;MM69594;CC=C(C#N)C#CC(=N)N;IGYRGHYHOLPBEO-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69595;MM69595;C=CNC(=O)CCCC=O;SHRTZOHFJWFCOE-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69596;MM69596;C=CNC(=O)CCCC#N;NCNSSBJUDDJPNY-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69597;MM69597;CON=C(NO)NO;OVBAYTUVEXIRLX-UHFFFAOYSA-N;121.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69598;MM69598;C=CC(=O)C(CF)CNC;ZVPWUUODIBVVMJ-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69599;MM69599;C#CC(C)C(C)N(N)C=N;ZZXKNOWGWRHXHA-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69600;MM69600;CC#CCC(O)C=NNC;PVSAHOYZPRGKEC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69601;MM69601;CCC(C)=C(C)C(N)CN;YOOHGRXDLKUAFJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69602;MM69602;C=C(COCC#N)NC=O;FSOWHSUWYGDMKH-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69603;MM69603;C=C(CCCF)C(N)CN;FTVNYFQIBVDZCY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69604;MM69604;C=CCCC(=C)C(N)CN;FBSCRONWEXWXIH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69605;MM69605;C=CNC(=O)COCC#N;ODHSWTXYKSDXFX-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69606;MM69606;C#CC(=O)C(=C)C(=N)N;WGUANLNJPHSOEZ-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69607;MM69607;C=NNC(=O)COCC#N;CSWCAQKDYYVOBO-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69608;MM69608;C#CCCC(=C)C(N)CN;JHJYTKIPICLHSE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69609;MM69609;C=C(CC=CC)C(N)CN;HVXORDNEEWVYMR-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69610;MM69610;C=COC(=O)CCOC=O;WDQMKVSTKUOHHS-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69611;MM69611;C=CC(=N)N(N)C=COC;AKTGNUVBPUANLV-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69612;MM69612;C#CCC=C(C)C(N)CN;RKIGQQWUDRQMIQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69613;MM69613;C=COC(=O)COCC#N;JJEQYGKWDSTFSV-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69614;MM69614;CC(=CC=CF)C(N)CN;MWGPGPWGRNPPNA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69615;MM69615;CNCCNCC(F)=CF;WQGVIXDIIVCZRC-UHFFFAOYSA-N;150.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69616;MM69616;CC=NNC(=NC)C(=N)N;JHAAYEZXYHQYNC-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69617;MM69617;C=CCC(=O)NCCC=O;LLEKWZAWYMSPPV-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69618;MM69618;C=CCCNC(=O)CC=O;WWFVXUAAFZDFPH-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69619;MM69619;C#CC(COC)N(C)C=N;FDLGJQWMJVEIHF-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69620;MM69620;C=CC(O)COCON=C;VUVHOSMRZHVWBY-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69621;MM69621;C=CNC(CO)=NN=CC;ZVOCZGAYFZDFRJ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69622;MM69622;C#CCC(NC)C(=C)CN;ZVDUISYVBYVIGF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69623;MM69623;C#CC(C)C(C=CC)NC;YTWBWHQZDKHUTB-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69624;MM69624;C=CNC(=O)NCCC#N;AZSXULSJTIOTLK-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69625;MM69625;C=CC(C)NN=C(C)CO;DTNZMSVWDKXRKI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69626;MM69626;C=NNC(=CC(C)=O)CO;UZZCMKSHPJNBCC-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69627;MM69627;N#CCNNC(=O)NC=O;UCRKJTGTEVPXFI-UHFFFAOYSA-N;142.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69628;MM69628;CC(C=C(CO)CF)=NN;LLHWCIFOUCGNQM-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69629;MM69629;C=NOCOC=C(C)CO;WFPZCMOZTUBWHJ-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69630;MM69630;CC#CC(=N)N(C)C(N)=O;RYCZVIJIYWCIST-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69631;MM69631;C=CNC(=O)NOCC#N;PYKZVNBOVHPBDE-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69632;MM69632;N#CCONC(=O)NC=O;ZVAHNIDXNDIGKG-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69633;MM69633;CON=CCCO;LKVJVEWOWIWUOL-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69634;MM69634;C=NOCOC=CCCO;VWYVKXWYXMFRFF-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69635;MM69635;C=CCONC(=O)NN=C;KRBTUCQQFLMNSG-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69636;MM69636;CC=C(CCF)C(N)CN;IVVNFVQZHPCWSX-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69637;MM69637;C=NOC(=O)NCCC#N;ZHHQLGQMLOHVNC-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69638;MM69638;CN=CNCC#CC(C)=O;NUSORLWLSPZCFK-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69639;MM69639;C=NOC(=O)NNCC#N;GLSZXYDYYFCIPW-UHFFFAOYSA-N;142.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69640;MM69640;C=NOC(=O)NOCC#N;YGBUVCGBHATBRL-UHFFFAOYSA-N;143.1;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02857;MM02857;O=CCCOC(=O)CC=O;SCJFWWSMHHAZCG-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15978;MM15978;N#CCCOC(=O)CC=O;AELBRNJCMNZSHJ-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69641;MM69641;C=C(CC#N)OCOC=O;JRMRLFKAELMQDL-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02906;MM02906;C=COCOC(=O)CC#N;GAOQLTHBOLMIJI-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69642;MM69642;C=NOCOC(=O)CC#N;NMUTXTKDYDQEDK-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69643;MM69643;CCC(=CCF)C(N)CN;VYHRJPAYVWVDFJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69644;MM69644;C=C(NC=O)OCCC#N;SYJPCRGBMULGEP-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69645;MM69645;CNCCC(C#N)CCF;OQDOZLWGQIXSFA-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69646;MM69646;CCCNC(C=CF)CN;FMFQVYSMYZFODS-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69647;MM69647;C=CNC(=O)OCCC=O;HNDCEAXKAJJNPL-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69648;MM69648;CN=C(NCC=O)C(C)=O;XKEIKGBOMAPSHQ-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69649;MM69649;C=NNC(=O)OCCC=O;GWBOPSWLOZUJJB-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69650;MM69650;C=NNC(=O)OCCC#N;BWRAYVZAMGDRIF-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69651;MM69651;CC=C(CNC)OCCN;KOPVTSKPXCVCGE-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69652;MM69652;C#CC(C=COC)NC=N;UJBOKFPRIIBEOR-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69653;MM69653;C=COCOC(=N)NC=O;CPHRHJNZZKUFFI-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69654;MM69654;C=CNC(=O)OCOC=C;HHSRBBAABRJIGY-UHFFFAOYSA-N;143.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69655;MM69655;CC#CC(C#CCN)CN;NXXJTADWGCOHCD-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69656;MM69656;C#CC=C(CN)COC=O;ZPCKNAHBEYHPSS-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69657;MM69657;C=COCOC(=O)NN=C;QFILSBKCPQUVMS-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69658;MM69658;C=NNC(=O)OCOC=O;VVPMBFGLBKEDRQ-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69659;MM69659;C#CCCN(C=NN)N=C;HVNDPYDZQDCJDY-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69660;MM69660;C=NNC(=O)OCON=C;LNONSUXTENEVJO-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69661;MM69661;C=NOCOC=NNCC;CIKUZNHTBUZSSC-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69662;MM69662;CCC(=C(C)C)C(N)CN;IREVATHVOGGYIJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69663;MM69663;C=COC(=O)OCOC=O;WKHXSBAQHIVYNC-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69664;MM69664;CNC(C#CCN)C(C)C;OUAVXHGSUYTZTI-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69665;MM69665;C=CC(C=NN)OC=NN;SQUCPFIFDVSPBL-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69666;MM69666;C=CC(CF)NCCNC;ALUWWKWLIRVZBY-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69667;MM69667;C=COC=CC(CN)NC;CPFNLMOYPVULEL-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69668;MM69668;C#CC(F)(C#N)C(=N)N;AKLARBWWOFJLJF-UHFFFAOYSA-N;125.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69669;MM69669;NN=CC(F)=C(N)OC=O;MNRMJSVGEXQVCG-UHFFFAOYSA-N;147.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69670;MM69670;C#CCOCC(=O)NN=C;BAQUPUDIQVYVSO-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69671;MM69671;C=CC(NC)C(N)C=CC;DEXKKQXRBMOTQE-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69672;MM69672;N=CNN=CCC=CCN;NCPYVKWHPYOOGB-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69673;MM69673;C#CC(CCF)NN=C;NMYSLOAJEHGHGH-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69674;MM69674;CC(=N)NN=CC=CCN;FAKJQFZXMISJTA-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69675;MM69675;C#CCONC(=O)NN=C;PIQZGZKLURWNJS-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69676;MM69676;C#CCC(N)C=C;KKBKRXHQGCJWKK-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69677;MM69677;NCC=C(F)CF;BSUNDFFMFRLGOV-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69678;MM69678;C#CC(O)C(=C)NC=NO;NXDCADXJLJDODS-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69679;MM69679;C#CCCOC(=O)NC=C;XUCHKAFTKMPCCX-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69680;MM69680;C#CC(ON=C)C(O)C=C;YCUYZPSEYFYFAL-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69681;MM69681;C=CC(F)=CCN;UFHOBZSZJOWVPK-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69682;MM69682;CNCCCC#N;HOPPOPHWXVRHLG-UHFFFAOYSA-N;98.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15876;MM15876;C#CCC(=O)COCCF;NPQXXRKBMVQPBZ-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15901;MM15901;C#CCC(=O)COCOC;YYGGBVFFTXFTKP-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69683;MM69683;COCC(F)=CCN;VQPZYOVPBYUZKH-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69684;MM69684;C=C(C)C(F)=CCN;KHKUBAVDGVQJCX-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69685;MM69685;C=CC(C)N(C)CC;AGJZNUXBCRFYNK-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69686;MM69686;CC(C#N)N(C)C=N;UVTQYRFRKANFCK-UHFFFAOYSA-N;111.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69687;MM69687;C=COC=CC(O)C=NN;GFWVPRSTPKPYFW-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69688;MM69688;CC=NN=C(N)CC(N)=O;OCBNQBBPROZKHJ-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15849;MM15849;C#CCC(=O)COCC#N;PRBCRXISLTXKQQ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69689;MM69689;C#CCC(=C)CONC=O;VLYSGZBCNBRNRK-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69690;MM69690;CCN(O)C(=NN)OC;JQPDEYIOJHOEKD-UHFFFAOYSA-N;133.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69691;MM69691;C=CC(F)=C(C)CN;KQXODVOSEMNUJZ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69692;MM69692;CNC(C)C=CC=O;XTYLGCGVFKDDRB-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69693;MM69693;C#CCONC(=O)CC#C;WJVODQCPPSSONV-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69694;MM69694;C#CCNN=C(C=C)CO;UBGVZMYIPPVWFK-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69695;MM69695;C=NN(C)C(C=CF)CO;UDQRTBQVPZSFSR-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69696;MM69696;C#CC(C#C)CNC;QJTNJYSACCFFFZ-UHFFFAOYSA-N;107.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69697;MM69697;C=CCC(=CF)CN;BLQAVKLAAGPVRI-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69698;MM69698;NN=CC=C(CO)CF;BYHVOVJQCOGFSO-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69699;MM69699;CC(O)C(C=NN)CF;ZGYKGZUQRKGXLM-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69700;MM69700;NCC=CCNN=CCF;HXFXTJQNVZKPQD-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69701;MM69701;CNC(=CC#N)OCCO;GTGHXWVUQOMPCJ-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69702;MM69702;CC(C)C(=CF)CN;XTSYQAMNZIJBEE-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69703;MM69703;C#CC(C=CCN)NN=C;MHFUFKXCCQUQEK-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69704;MM69704;CC=C(CN)C(C)F;YYCZFTYGPREOLV-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69705;MM69705;C=C(NC(C)=N)C(C)=O;PQBCYWHGENOLKR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69706;MM69706;CC(C)=C(CN)CF;TYBXEGLREJPWMH-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69707;MM69707;CCC(CN)=C(C)F;TYSMQVJOHRNJBS-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69708;MM69708;C#CC(C)(C)NC(C)C;IEKVAVZDQVUJGK-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69709;MM69709;C=C(C#N)CC(C)NC;JXLMEWDBZZEYFL-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69710;MM69710;C#CC(=NCCO)NN=C;JFOMBANPMYNWQS-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69711;MM69711;CCCC(O)COC=NO;QSMMWKATTCQQCM-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69712;MM69712;CNC(=N)NC(C)C#N;VIFOKCNDSONWCK-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69713;MM69713;CN(C)N=C(N)C(F)C=O;LOMBQGMRZZHFQW-UHFFFAOYSA-N;147.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69714;MM69714;COCC(C)COC=NO;AGXKWDCXZCVGLF-UHFFFAOYSA-N;147.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69715;MM69715;C=C(C#N)C#CC(=N)N;JEVXRZJNMNYWKA-UHFFFAOYSA-N;119.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69716;MM69716;CC(=NN)C(CF)CCO;PZQFTYKPNFWILS-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69717;MM69717;CC(=NO)C(=CF)CN;IQGMGRGFPJOLAB-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69718;MM69718;C=CC(CC(C)F)NC;QPKVMERIWRBKSD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69719;MM69719;COCC(C)OCC=NO;ONLGECXBRYBVOY-UHFFFAOYSA-N;147.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69720;MM69720;CCNC(=N)NCC#N;YUVDRTJGDDXQNK-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69721;MM69721;CCCNN(C)C=NC;MFMHBODKQJUWIR-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69722;MM69722;C=NOCC(F)=CCN;CDKWDZHMFJOVHY-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69723;MM69723;CCON=CCCC(N)=O;POCJOTJCQGRMPB-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69724;MM69724;C#CC(C)C=NNCC=O;ARKKMLODRJRENA-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69725;MM69725;CC=NOCC(=O)N(C)C;HBKCILWFHQXKKP-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69726;MM69726;CNN=CCNN=CC=O;QQFVNPQCVVKVPQ-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69727;MM69727;CC(CC=O)COC=NO;JVFTWAFLGWUOJG-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69728;MM69728;C=NNC(C)=NOC;BNLQKXIFTPYJCZ-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69729;MM69729;CC=NNC(=CC=O)NC;GLTDCOMFFLNHNZ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69730;MM69730;C=NNCC(N)=CC#N;KOKZEDKRUBHHJX-UHFFFAOYSA-N;124.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69731;MM69731;C=NNC(CC)=NO;RQDUDYWTMUHJFX-UHFFFAOYSA-N;115.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69732;MM69732;C#CC=CC(=N)NC=O;XZVSWLXAUBBGJM-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69733;MM69733;N#CC=CCC(=O)NC=N;ZYMMHUJBRMHHHM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69734;MM69734;C=NNC(C)COC=NO;QGBJPCRUXIRQIS-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69735;MM69735;C=C(F)C(N)C(N)CC;ZWVJZUYUNRMHGT-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69736;MM69736;C=CCNCC(N)C=C;WEDAHEMYAXKGMZ-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69737;MM69737;C=NOC(C)COC=NO;KKYRPROOWXPETG-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69738;MM69738;CNC(=N)OCCOC;RSJYLJRBHZTUHI-UHFFFAOYSA-N;132.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69739;MM69739;C=CCC(=O)NC=N;SKFJGTGYNHOHFA-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69740;MM69740;C=C(C)CC(=O)NC=N;RBBQXJFBLNLANU-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69741;MM69741;CC=CCC(=O)NC=N;QERMNEZKIMKNLB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69742;MM69742;CC(=NO)C(CN)=C(C)F;VPIGYAPCWVLBDB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69743;MM69743;C=COC(C)OCC=NO;IYASNNAXJCIQBZ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69744;MM69744;C#CC(=NO)NC(=N)N;BTNBYLYOKUSBGU-UHFFFAOYSA-N;126.12;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69745;MM69745;C=C(CC=NO)C(C)N;YUNOUYXTROLFIX-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69746;MM69746;N#CC=NN=CNNC=N;XBRBOCKAVMXCTC-UHFFFAOYSA-N;138.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69747;MM69747;CC=CC(CCF)NC;KRLXBIWGOODHAQ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69748;MM69748;CC=C(C)CC(=O)NC=N;DYUMLXFDQLBLIC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69749;MM69749;C=C(NC=N)C(CC)=NO;GHUQWAXKIABOMF-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69750;MM69750;C=NOCC=NNC(N)=O;XIGVPFMNTZXWBG-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69751;MM69751;CC(=CF)CC(=O)NC=N;OGPOKLTUAZZCLE-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69752;MM69752;C=NNC=CC(=O)NN=C;LNKNEYIZWQJMHF-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69753;MM69753;CC(F)=C(CN)CCF;JEOYTYCAMISQPY-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69754;MM69754;C=CC(N)C(C=C)NC;YFBKKYZCIAARGA-UHFFFAOYSA-N;126.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69755;MM69755;CCNNC(=O)N(C)N;GCHAGCNQGHUIHN-UHFFFAOYSA-N;132.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69756;MM69756;CNNC(=O)N(N)C(C)C;UYRINNSPKUGUAD-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69757;MM69757;C#CC(O)CON=C;FXVRRKJCHVYVAQ-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69758;MM69758;CNCCC=NNC(C)=O;RJFWUWMULMJAHD-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69759;MM69759;CCN(C=O)CCNC;HSNLPRIDPRLVSV-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69760;MM69760;N=CNNC(=NO)C(=N)N;WCXJYTQPUWGBOC-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69761;MM69761;C#CC(=N)NCC(O)C#C;AEZZPFRPWUGHBF-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69762;MM69762;C#CC(C)(N)C(=C)C(C)N;JYSFPFCMOWYAAJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69763;MM69763;C=C(CN)CCC#CCO;CJUQUQMBMGKOCI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69764;MM69764;CCCC(=O)NN=CNC;UDRCZCOVPDRIBV-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69765;MM69765;CCNCC(O)(CC)CO;SFXOWWKMOVLALO-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69766;MM69766;C=CC(O)(C=C)C=NNC;JYXAIRFBRMIPBQ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69767;MM69767;C=CC(CC)NNC(C)=O;LWEDTGCUULWLAR-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69768;MM69768;CNC=NNC(=O)COC;RDFUOZQTDKCMLM-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69769;MM69769;COCC(=O)NN=CNO;PUFAMLFNSKEJAD-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69770;MM69770;COC=CC(C)(O)C=NN;UXRAISBEONSPPY-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69771;MM69771;CCON=C(NO)N(C)O;ZTADUNDVIANAIH-UHFFFAOYSA-N;149.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69772;MM69772;COC=CC(O)C=NN;PUWCQOTZACAPAU-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69773;MM69773;CNNC(=O)NN=CNO;IWBHYNQFGYABFM-UHFFFAOYSA-N;147.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69774;MM69774;CNN=C(C)C(C)(C)O;ZWQCATDTCMYEFE-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69775;MM69775;CC(=CF)N(O)C=NN;DRZUBAPQQRNPHY-UHFFFAOYSA-N;133.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69776;MM69776;C=CC#CC(C)(N)CNC;BEEYSUSMOFWJQS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69777;MM69777;CC(=CCC#CCO)CN;QCVAZVJTNDLDEL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69778;MM69778;C#CCC(C)(CN)N(C)C;NRXSTUKOERXENC-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69779;MM69779;C=CNC(=N)C#CC(C)O;NLNUGDCJZYKINN-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69780;MM69780;CCCCNCC(O)CO;LWIPMLPWRZUQQH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69781;MM69781;CNN=C(CO)C(C)C;JZOCOEZRWYDSFT-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69782;MM69782;C#CC(C)(OC=C)C(=N)N;GXFNWDBVVHFMOB-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69783;MM69783;CCNN=C(CO)C(C)C;GPYADWHUNYVVQR-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69784;MM69784;C=C(CN)CC(C)(F)CO;QWWYHKSTPGKUND-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69785;MM69785;C=CCC(=O)COC=NO;SYVKGTBZPMJTBP-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69786;MM69786;N#CCC(=O)COC=NO;VCHPBMNUYVSZNI-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69787;MM69787;CC(=CC(C)(C)N)NC=O;AISXQRSDWDSQPM-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69788;MM69788;C#CC(CNC)C(O)C=C;OWQFLIMPPUYCAN-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69789;MM69789;C=CC(CO)NN=CCO;SCMYLJZGZPPGGX-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69790;MM69790;C=CCCNN(C)C=NC;KFEBMDFNYVXIEA-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69791;MM69791;CCC(C)(N)C(CO)OC;BYTDVWBKNWCDPR-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69792;MM69792;C#CCCNN(C)C=NC;FWVQORDMVUDQRN-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69793;MM69793;C=NOCOCC(C)O;UAPFDJCMWIRAFC-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69794;MM69794;CC(COCC(C)O)=NN;DNILCYDNKYBSKR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69795;MM69795;C#CC(CNC)C(C)(C)O;ACLKHWZMFDHMJR-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69796;MM69796;C=C(CNCCN)C(C)F;SMHUMRKVKNIZKE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69797;MM69797;CCOC=CC(=N)N(C)N;PFVFLDSYAJUIRK-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69798;MM69798;CCC(N)C(C)(N)CO;DVKLJXIFPXMMQO-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69799;MM69799;COCCN(C)N=CCO;AFWBWFNROUOGAQ-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69800;MM69800;NN=COCON=CNO;HKEDUMNBTAKKNZ-UHFFFAOYSA-N;148.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69801;MM69801;COC=NN=CNCCO;HBBFRIQSBSSIPN-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69802;MM69802;COCCN=C(C)N(C)N;YAHCANJGKFLOFV-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69803;MM69803;CC=NN(C)C(=N)N(C)N;IKQHZVYYJMWFOI-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69804;MM69804;CNN=C(CC=O)CCO;YHLGYRRLPPUNKS-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69805;MM69805;C=NOCOCCCO;NIAOQBOLGOSCSE-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69806;MM69806;COC(=O)CC=NN;FHWICWFHQAFYHK-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69807;MM69807;COC=C(C)C(=N)N(C)N;ZBTTYOPNKSSCQA-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69808;MM69808;C=CC(=O)C(F)CNN=C;ZOJFVOHPQWAPRE-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69809;MM69809;CC=CCNC(=O)NC=O;YEOPCQYPWAQINN-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69810;MM69810;CONC(=NC=N)OC;IMXLADJQMRUXQE-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69811;MM69811;C=NNC(=O)NCC=CF;WKDFMRRWLVLTSE-UHFFFAOYSA-N;145.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69812;MM69812;C=CCN=C(NO)N(C)N;IICKEUPUYOTVRA-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69813;MM69813;C#CC(O)CC=C(C)CN;LZZFSQCYBVMHLC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69814;MM69814;C=CCC(=N)NO;LOBINSPKFWJZOJ-UHFFFAOYSA-N;100.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69815;MM69815;CC(C)(O)CN;LXQMHOKEXZETKB-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69816;MM69816;C=C(CC=O)OCC=NO;KWNLSOMMFSRQPN-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69817;MM69817;C=CC(CO)NC=NCC;VRZFMIHVLBLOCL-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69818;MM69818;CC=CCOC(=N)NC=O;UVYRITGGKIQGJD-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69819;MM69819;CC=CCOC(=O)NC=N;YKHPTUVUJXGDQL-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69820;MM69820;C#CC(O)CCC(=C)CN;CSRCLGGNCFTRKH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69821;MM69821;CCNCC(C)(CF)NC;BTPNKPBKUJZHON-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69822;MM69822;CNC(=N)OCC(C)OC;DYNXPYHPTNXESM-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69823;MM69823;C=CC(=O)C=CC(C)NC;SFLZNNFAJXYNQM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69824;MM69824;C#CCC(=O)CCC=NO;QRYMEUPOBSSPFF-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69825;MM69825;C=C(CF)CC(=CF)CN;VTOJQAZTSWXSST-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69826;MM69826;C=C(F)C(CO)CNC;UOIHSXQXMNTEDI-UHFFFAOYSA-N;133.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69827;MM69827;CC(=O)C=CNN=C(C)C;SVLLXYAOSGKJDU-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69828;MM69828;C=NN(C)C=NC=NN;DDQWWPUADKKRJW-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69829;MM69829;CC#CCNC(=O)CCO;YRWAORGBWSPOOZ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69830;MM69830;CCC(=O)N(C)CCNC;AUCZYUIGCSQWJJ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69831;MM69831;CC(=CF)C(C)NCCN;GRKPFSWVXBCXMQ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69832;MM69832;COC=CC(F)=C(C)CN;LZWKUDILHMLKJW-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69833;MM69833;C#CC=CNC=NOC=O;RKTAPEVHPZFRRW-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69834;MM69834;CCOCCOC(=N)NC;PGWKHOOEVVLLGW-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69835;MM69835;C=CC(=NOC)NN=C;HSIPQIKRCQACJF-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69836;MM69836;C#CCCNCC(=C)CN;VFCSMMRDYULERY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69837;MM69837;C=CC(N)CCNN=CC;QMTIJSVCFYYDEJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69838;MM69838;CC#CC(F)(C#N)C(=N)N;ZQVUIVLOCHPBFE-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69839;MM69839;CC(=CC(F)CCO)CN;DDXOUOVYKVCGIN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69840;MM69840;C=NNC(=O)NCC#CC;CPVVUUIXRNUHDM-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69841;MM69841;CC#CCOC(=N)NC=O;XIXWZLNMJBNWPM-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69842;MM69842;CC#CCOC(=O)NC=N;WQVHZRUXURWSCS-UHFFFAOYSA-N;140.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69843;MM69843;C=CC(N)C(C=CC)NC;XBDJJMGIZBIUQN-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69844;MM69844;C#CC(CNC)C(C)=NN;ISLUCERTTMPIMH-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69845;MM69845;C#CCONC=NOC;GWBWVCMMTJJDQO-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69846;MM69846;C=C(OC)C(=CCN)OC;USBWFYBPWWVRTR-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69847;MM69847;C=NNC(=NO)C(=C)C;CJCOJSKLCNIKNT-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69848;MM69848;CC=CC(O)COCCO;NOWXWMREPQSYPG-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69849;MM69849;CC=CC(O)COCOC;BURDJKJEAORAPQ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69850;MM69850;C=CC(=C)CC(=O)NC=N;AOKJOZALGIMSJN-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69851;MM69851;CON=CC(=CCN)OC;OPCSAOZKANVDHA-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69852;MM69852;C=NOC(C)(CO)OCC;NXLORJZQUXUUHY-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69853;MM69853;C=COC(=CCNC)CN;NPEKUHJOUQUNBX-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69854;MM69854;C=CC(N)C(=CF)C(C)N;GHKGDHZJACSBAE-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69855;MM69855;CC(F)C(=CCCF)CN;DSTZAVUCYHTGOO-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69856;MM69856;CC(C#N)(C#N)N(O)C=N;HPQKGQNLGBCDFS-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69857;MM69857;C=NOCCC(O)CF;CQGOELACYRBZDP-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69858;MM69858;C=C(CN)CCC=CCO;MKJFOELQNZEUIL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69859;MM69859;CN(C=NO)OCCCO;DABZBCYWGRADHO-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69860;MM69860;CC(F)=C(CN)CCCF;LZXIRSZOEWNCCE-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69861;MM69861;C=CCCC(CN)=C(C)F;OTXNVYARIGDCCS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69862;MM69862;C=CNC(=NNC=N)NN;NQVBRLLGWJPZGY-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69863;MM69863;CCN(OC)C(=N)NC=N;DMRLTEYJDHFHBI-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69864;MM69864;CC(=CCCO)CN;CYQKHPARTRQGET-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69865;MM69865;CNN=CCC(=O)C(C)=O;DGAVIPYWBSGRGA-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69866;MM69866;C=C(CO)CC=C(C)CN;MQOFMSSPIDDOJN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69867;MM69867;C=CCNCCCNN=C;IPJRTYVGCGYMPT-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69868;MM69868;CC=NOCC=CNC=O;QWBRZPVCWDNRHT-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69869;MM69869;C#CC#CCNCCNC;BISNKHHKFRTHKU-UHFFFAOYSA-N;136.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69870;MM69870;CCOC=CCNCCN;LZPQYIJJULVWDE-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69871;MM69871;C=CCC(CO)=NN;SONHKHWCWHBWCQ-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69872;MM69872;CC=CC(O)COCC=O;MZUQCEQRYKWZII-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69873;MM69873;CC(C=NO)COCC#N;PUUXCAMBDYBDTA-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69874;MM69874;CC=CC(O)CONC=O;OCUCINBOVCWZSR-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69875;MM69875;CN(C)C;GETQZCLCWQTVFV-UHFFFAOYSA-N;59.11;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69876;MM69876;CN=CN=C(NO)OC;DVKFENBPGODCGO-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69877;MM69877;C=C(CN)CCCO;NAFCUKMJZZIBHP-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69878;MM69878;C#CC(C=C(C)CN)CO;YENZUDDULHJIIA-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69879;MM69879;CC(F)=CCN;GVVABYFLMPBQAC-UHFFFAOYSA-N;89.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69880;MM69880;C#CC(C)C(=N)NCC=O;AJVRPVHKGAZCBA-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69881;MM69881;C=COCCN(O)C=NO;LBUFRSSHAGPPEM-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69882;MM69882;CC(CN)N(C)C;WNLWBCIUNCAMPH-UHFFFAOYSA-N;102.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69883;MM69883;CC(=CCCC(N)=O)CN;DLOBONJUCKVMKK-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69884;MM69884;C=C(CN)C(C)F;NIYOALIDHFLYIK-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69885;MM69885;CC(=CCCCO)CN;BDPYGFXNWNDZSF-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69886;MM69886;CC=NOC(CO)CCO;FGHZDCUQSLKGMS-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69887;MM69887;CC(F)=C(C)CN;WJEIPYWFQGNXII-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69888;MM69888;CN(C=NO)OCCC#N;CUSNEHBKIAPQEM-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69889;MM69889;CCC(=CF)CN;FUPOTCRRBAUHRP-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69890;MM69890;C=NNCC(=C)C(F)C=O;DJOXXXKINOQTGR-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69891;MM69891;CC=C(CN)CF;GDFMTYRSPSJJMN-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69892;MM69892;CCC(N)(CC)CC(N)=O;HWQSLHVYFJDQNS-UHFFFAOYSA-N;144.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69893;MM69893;C#CC(CO)CC(=C)CN;QQDAXWYXAQYTDZ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69894;MM69894;C=C(C#N)NC(C)=N;FTGKACCBOZVIDV-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69895;MM69895;C#CCCON(C)C=NO;NCNHIRYKCIBMDV-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69896;MM69896;COCCCC(=O)C=CN;IHBTYVZEHVMODI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69897;MM69897;NCC=C(F)CCF;FGMQJFJATULAHB-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69898;MM69898;C=CCC(F)=CCN;LWSDGTKFIYBGOL-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69899;MM69899;CNC(=NC=NOC)NN;VPZFSMQMOOHITK-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69900;MM69900;CC(CN)=C(F)CF;RXKRTWWDIOMARS-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69901;MM69901;CC(=CC(C)CO)CN;OXDAICQGBNBKNF-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69902;MM69902;NCC(=CF)CCF;OHCYWPBQLGHCBY-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69903;MM69903;C=CC(O)CC=C(C)CN;BJXLTHJNHPPJRL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69904;MM69904;CCC(=O)CNN=C(C)N;HTOTXPLFPRTFNC-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69905;MM69905;CN=C(CC#N)NC(C)=N;AIQYXISQKJVUHQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69906;MM69906;C#CC#CC(C=O)C(=N)N;OUKQWUJGVRITEV-UHFFFAOYSA-N;134.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69907;MM69907;CCCCNC(=O)C=NO;GPXSUMFWIGDROA-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69908;MM69908;C=CC(O)CCC(=C)CN;HHCOZQZZSNVZPR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69909;MM69909;C=NOCOC(C)CO;KUTBLTAFOBYZLP-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69910;MM69910;CC=CC(=O)NOCCO;YRKMWXBZVTZSMK-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69911;MM69911;CCCONC(=O)C=CN;SVEUWHDVEMXHFW-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69912;MM69912;COC(=CCN)CF;YOGLWOMSWKLTRF-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69913;MM69913;C=C(C=NO)OCCCO;MOVRYCLUXJMDBV-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69914;MM69914;N#CCCCC(=O)C=CN;RZSLBVXFEJTELN-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69915;MM69915;CC(=CCC(C)O)CN;UVHYBRFLVPVMHW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69916;MM69916;C=COCCC(=O)C=CN;PYHNMLZSTYWIRL-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69917;MM69917;CN=CNCC#CCC=O;AEPDUYDOJPGRNF-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69918;MM69918;CN=C(NO)C(C#N)C#N;SLLLRHDFYCZMDF-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69919;MM69919;C=C(CN)CCC(C)O;NSUSSCOPMMOPEA-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69920;MM69920;C=C(CC=O)CNCC;SGWHSQBXYHZICN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69921;MM69921;N#CCOCC(=O)C=CN;FZSIAKXUYSGUHD-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69922;MM69922;CC#CC=NNC(=N)NC;JQVWLMIWCVIXCA-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69923;MM69923;C=CC(=CCN)OC;PTURJZFGDPIYBD-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69924;MM69924;CC(=CC(C)C(C)O)CN;BZTJYJVNONHNCZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69925;MM69925;N#CCCNC(=O)C=CN;JXVIBIIPDAYEKC-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69926;MM69926;O=CCCNC(=O)C=CF;NGWYMCDLRJTGDU-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69927;MM69927;N#CCCNC(=O)C=CF;LGWDPEZSEXRHQF-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69928;MM69928;CC(=N)NC=NNC(C)C;DQLLXNDNCFUAJR-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69929;MM69929;N#CCNNC(=O)C=CF;VWCXNTRZEHHVHD-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69930;MM69930;CC=CC(=O)NOCC#N;NBCDFULHXDZLSR-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69931;MM69931;N#CCCOC(=O)C=CN;XFJPHBSKZKEPFB-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69932;MM69932;N#CCCOC(=O)C=NO;GSCGCPGZZSMKTK-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69933;MM69933;C=COCOC(=O)C=CN;QBTNQPORYDXKDT-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69934;MM69934;CNN=C(CC#N)N(C)O;MQSLAMJUVSQYSP-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69935;MM69935;CC(N)C(C)(C)OC=O;BZPBLQFYFVJGHE-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69936;MM69936;C=COCOC(=C)C=NO;ZHZLWHIJYIOKNS-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69937;MM69937;CON=C(C=C(N)N)NO;HMULCAVVOROOPO-UHFFFAOYSA-N;146.15;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69938;MM69938;CN(C)CC(F)=CCN;FEYWPBDWRSEVJJ-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69939;MM69939;COCON=CNO;FZSVZEAXAIYFIM-UHFFFAOYSA-N;120.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69940;MM69940;CCOCON=CNO;XJDQKMOIYZFVHA-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69941;MM69941;C#CCOCC(=O)C=CN;WRQLAHSDRHXEMW-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69942;MM69942;C=C(CN)C(C)(C)OC;XRQCDGKFYUUVKY-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69943;MM69943;CCCNN=CNC(C)=N;TUUWACBHWDINTL-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69944;MM69944;CC(C=NO)CCC=NO;LNZRWDXHSRYYLU-UHFFFAOYSA-N;144.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69945;MM69945;CN=C(C)NC(C)C#N;AXNYSUNVJIUOCG-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69946;MM69946;CC(C)C=C(CN)CF;CMIXUUCKSAFDCY-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69947;MM69947;CNN=C(NC)N(N)C=N;PIDZSKMGWANBQZ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69948;MM69948;C#CC(NN=C)C(N)=O;HRXOAUSBMGGADO-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69949;MM69949;CCN=C(C#N)NCCO;YVXIRHZWMRXJSP-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69950;MM69950;NN=CNN=CCCO;RDPZCUTVLHJTMX-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69951;MM69951;C=C(C)C(=NNC)NC;FKORCGKYVIEXAF-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69952;MM69952;CN(C=NO)OCC=NN;NFXGHGZFWJPMMH-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69953;MM69953;CNN=CONC(=N)N;FGJNAFMAILKYDD-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69954;MM69954;C=NOCC#CCCO;OHMCGUAHMOBNKE-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69955;MM69955;C=NNC=CN=NC=NN;CXCLGWWIQZGAFO-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69956;MM69956;NC=CC(=O)NN=CNO;INBVFFSFARQXKO-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69957;MM69957;CC=CC(=O)NOC=NN;HHVQTBNTYPJOPI-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69958;MM69958;CC(F)C=C(CN)CF;YQLQSLLTXCSDFE-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69959;MM69959;C=C(C=NN)OCC=NO;KRRHLXNQLGXBHO-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69960;MM69960;N#CC(=O)C(=O)C(=N)N;IJRSUEZTVBLEBM-UHFFFAOYSA-N;125.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69961;MM69961;CON=CNOCC#N;JXZKJTRFMHNFIP-UHFFFAOYSA-N;129.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69962;MM69962;CC(CF)=NNCC=NN;FKWUNUDQBYFUAE-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69963;MM69963;C=NN(C=NO)C(C)C;IAHLZMMVPNTJII-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69964;MM69964;CCC#CC(=O)NC=N;KVHWHJSQJPHQBB-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69965;MM69965;CC#CCON(C)C=NO;YKEAIXYQZNAYFL-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69966;MM69966;CC#CCNC(=O)C=NN;FFONSODYRPECBD-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69967;MM69967;C=CC#CC(=N)NC=C;NNKGQPQZBBKJSG-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69968;MM69968;CC(C)C#CC(=O)NC=N;WAJHNMSEGUESDG-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69969;MM69969;CON(C)C(=N)C(C)C;GDZLVKKEMOGOKU-UHFFFAOYSA-N;130.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69970;MM69970;CNNC(=O)C(N)=CC#N;LNBNEMPMFVIBKD-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69971;MM69971;CNCCNC(C)CF;SMMILAUVSPOQCG-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69972;MM69972;CN(OC=NN)C(=N)N;RYMIBJXRTCOAGG-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69973;MM69973;C=NN=CCC(=O)NC=N;WMBATBOTHQZIPH-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69974;MM69974;CC#CC(O)COCC#N;PBHXQLZBRFOJPL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69975;MM69975;CC#CC(=O)COCCO;ZMASJHCIMIYQCQ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69976;MM69976;CNC(=N)OCCC#N;CFBZRZWXMXXNLO-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69977;MM69977;C#CC(=NOC)NC(=N)N;NNOIOOGAOHLIFO-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69978;MM69978;C=CN(C=N)NC=CC#N;ZCAQOGVDQJJBLJ-UHFFFAOYSA-N;136.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69979;MM69979;C#CCCOC(=N)NC;OBAUSJPKOUJASV-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69980;MM69980;C=C(C=CC(C)=O)CNC;CUTVLZSVNNMMHX-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69981;MM69981;C=C(CN)C(F)COC;WGYWXPLGEMGTAO-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69982;MM69982;CCNNC(=O)C(C)(C)O;NYWAXEANHHKWTN-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69983;MM69983;CC(CN)=C(F)CCF;MFGAMNPGCXXOIR-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69984;MM69984;C=C(CC=NO)CNC;AAANGVNXOINMSZ-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69985;MM69985;C=CC(C)(C)NNC(C)=O;RUHVNFYHYMZJFA-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69986;MM69986;COCC(F)=C(C)CN;DWQGUVBHXMVVTB-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69987;MM69987;CC#CC(=O)NCCC=O;CDWSMIMYNWGAJC-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69988;MM69988;C=CCC(F)=C(C)CN;SPIKEHUXAUCKBF-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69989;MM69989;C=CCNNC(=O)C#CC;XOPPWEDZWSHZRA-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69990;MM69990;C=CC#CC(C)(O)C(=N)N;RHFYRVFPSKJYMG-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69991;MM69991;CNCC(C)=C(C)C=O;MLJUDMHQKKUQRI-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69992;MM69992;C=CC(=CCN)OC=O;DIFUJIZCESSNKP-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69993;MM69993;C#CCNNC(=O)C#CC;DFELWOWMRHFYMZ-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69994;MM69994;CC=CC#CC(O)C(=N)N;CURLVMNHFYZFBA-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69995;MM69995;C=COCC(O)C=NNC;ACLRQWZVMVOEDH-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69996;MM69996;C#CC=C(CN)C(=C)C;AENMQAWBIXBVKH-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69997;MM69997;COCC(CN)=C(C)C;WTFULZYIXYQQLW-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69998;MM69998;C=CC(O)C(C)=NN;URXXZPPNBOTWHQ-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM69999;MM69999;CCN(CC)N=C(C)CO;SSMVZQUWWKXKGO-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70000;MM70000;C#CC(C)(O)C(=N)NCC;BWWMLJQTYDGOIG-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70001;MM70001;CC#CC(=O)COC=NO;FGARTGZDARPELH-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70002;MM70002;CC#CC(=O)NCC=NO;GATDLEMKWNUPTL-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70003;MM70003;CN(C(=N)N)C(=O)NN;HHELAKBMWZVSEK-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70004;MM70004;CCNC(C)(C)C(O)CO;RNNWSIQRKDCERW-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70005;MM70005;CC#CC(=O)NOC=NN;WZLIEPVCHAQYBZ-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70006;MM70006;CC#CC(=O)NOC=NO;AUOGKIKIOIMQQZ-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70007;MM70007;CCCC(NC)C(O)CO;RQFZNTMCPUZGBI-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70008;MM70008;NCC(=CF)CCCF;NDJSSYZCQGOVQA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70009;MM70009;COCCC(=CF)CN;HGWPNJIMDPFYJA-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70010;MM70010;C#CC#CC(=NN)NO;JXNRSNHZYSZBEC-UHFFFAOYSA-N;123.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70011;MM70011;C#CCCC(=CF)CN;VMRBZBWNFQTSMP-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70012;MM70012;COC=CCC(O)CCO;RIKSUZUYEKECAS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70013;MM70013;NCC(=CCCF)CF;OLMBVTPJONLPOR-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70014;MM70014;C=NNCC(C)(F)C(N)=O;ZVTDFIVFBFCLCR-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70015;MM70015;COCC(O)CC=CCO;AOUDAYLGMFSGAH-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70016;MM70016;CC(=O)NC=CC(C)(C)N;ANYXTEKFAZKCLF-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70017;MM70017;N#CC#CC(F)C(=N)NO;SLWQYZOBWPSULT-UHFFFAOYSA-N;141.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70018;MM70018;N#CCN(O)C(=N)C(=N)N;TYFSWMIVYAANMU-UHFFFAOYSA-N;141.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70019;MM70019;COCC=C(CN)CF;QANSUFZLXAKBRU-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70020;MM70020;C#CC=CC(=NOC)NO;SQULQCGMFDOCRY-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70021;MM70021;CC(CCO)OC=CCO;BTLUGYGWSNFKGU-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70022;MM70022;C=CCC=C(CN)CF;GEZOCEAOJGUVEG-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70023;MM70023;COCC(C)OC=CCO;QEZGPAIWJBJXGV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70024;MM70024;N=C(N)C#CC#CC(=N)N;CEZYNZVPSIMTIY-UHFFFAOYSA-N;134.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70025;MM70025;C#CC(N)(CNC)C(=C)C;VNHJLPDWPQTBCC-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70026;MM70026;CC(CC(F)CN)N(C)C;CCCLFZLQGZPMSP-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70027;MM70027;C=C(C)C#CCC(=N)NN;YLXDFEIIQQIHKL-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70028;MM70028;C=NN=C(CC(C)N)OC;HTFBDJCCHRHDIE-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70029;MM70029;N#CC=CCC(O)CCO;ZKAAZHHYMWZTRJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70030;MM70030;CCNN(C)C(=N)CO;GUCOTWPNUCEZIO-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70031;MM70031;C=NN=CCC(O)CCO;MQCCQVJESNLLCB-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70032;MM70032;C=CCNCC(=C)CNC;RADCCNAOZIZELK-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70033;MM70033;COCC(C)NC=CC=O;OENNNVNTPMZLTL-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70034;MM70034;C=CC(NC)C(N)C(=C)C;SWMZSSGMRRZBFA-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70035;MM70035;C=C(CO)C(C)=NOC;MGAVLDDRBCOQSY-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70036;MM70036;C=C(CO)C(COC)=NN;HMWNMHVXQUMLQG-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70037;MM70037;COCC(C)N=CNC=O;PDHFRIFXUMISAQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70038;MM70038;C=NN(CC)C(=N)N(C)N;UVUQHQOFRHSAOU-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70039;MM70039;COCC(C)NN=CC#N;QMAJRFCRFRGGEY-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70040;MM70040;CC(CCO)OC=CC#N;FXDUNAZKCUHSTD-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70041;MM70041;COCC(C)OC=CC#N;ZPNWKVOPECXUCG-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70042;MM70042;C#CC(CO)CON=CC;VUEUXIMMRSYTEN-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70043;MM70043;C=CCNCC(N)C(=C)C;RTHQTALZAUWGAP-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02775;MM02775;COCC(C)ON=CC#N;IFSAGMUBHMLUTA-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70044;MM70044;CNCC=CC(=O)N(C)C;RKSIKZIMBXUQRN-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70045;MM70045;C=C(C)C(=C)C(=N)NC=N;BDBOKJVTRQCSDJ-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70046;MM70046;CNC(C)(CN)C(C)=CF;XUHQUMSNGWMFRS-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70047;MM70047;C=NNCC(CO)CC#N;UFHMHTPHABSRSO-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70048;MM70048;C=NN(CCO)CC(=C)F;FASFQVDUUVYIIF-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70049;MM70049;C#CC(=CC)NC(=N)CN;FDYYHIJVDDLWDV-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70050;MM70050;CC=NOC(=O)CCNC;SZGBCSATSFXWFR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70051;MM70051;C=CC#CC(=N)NCCN;FYKFEUISJWGSQB-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70052;MM70052;OCCNN=CCCF;BCPGSQWOWUUOIF-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70053;MM70053;C=NOC(C)OC=CCO;JFAAJBGRSZZHTE-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70054;MM70054;C=NOCC(F)C(=C)CN;XEVFLNDLHOUZMP-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70055;MM70055;C=C(CNCC)C(N)CF;RKTZTQHSLFYSFP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70056;MM70056;CC(OC=O)OC=CCO;LVYUSVJPRAKJHC-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70057;MM70057;COCON=CC=CCO;DZGFLWBITJUSCD-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70058;MM70058;COCCC(F)=C(C)CN;RVRRHGZSRZRYFW-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70059;MM70059;CCOCC(F)=C(C)CN;GIGGUMSCKAMYFY-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70060;MM70060;C=NN(CC=O)CC=O;PCGAGLXQADYOGP-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70061;MM70061;C=NNCC(F)=C(C)CN;SMBMSFVDSVUORP-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70062;MM70062;C=NOCC(F)=C(C)CN;UTUYBKFLRKRPIN-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70063;MM70063;OCCC=NNCCF;LZUKKKMBXWMUSN-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70064;MM70064;CCC(F)CNCCNC;BMGVWMORPYEXOS-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70065;MM70065;C=C(CF)C(CN)NCC;MOSZQOQTRKTTBH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70066;MM70066;C=C(CON=CC)C(N)=O;UHOZQXQBZDAJOK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70067;MM70067;CC(CC#N)CC=CC#N;UWWZIIHRMHXCMU-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70068;MM70068;C=CC=CCC(O)CC=O;NONZETJMBSSSOZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70069;MM70069;N#CC=CCC(F)CC#N;GHSXHDXSRNYHML-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70070;MM70070;CCCNN(C)C(=N)CO;LJQLYIDDPFKFLS-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70071;MM70071;CC=C(CNC)C(F)CN;DHUQJZYIRRMQHE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70072;MM70072;CC(OC=O)OC=CC#N;LZGYDJNBURRMAX-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70073;MM70073;COCC(CN)=C(C)CF;QRGJOHFYVHKOPC-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02749;MM02749;CC(OC=O)ON=CC#N;DPCXMWFSQQSXKQ-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15946;MM15946;C=NOC(C)ON=CC#N;YUSCQKBYFCTHSC-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70074;MM70074;CCOCC(CNC)NC;KKUOMSJJDREAIK-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70075;MM70075;C=NNCC(C=O)CF;SPHBLLQUNGWPMI-UHFFFAOYSA-N;132.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70076;MM70076;C=CC(C#CC#N)NC=N;QEEHGFOTKOZPHC-UHFFFAOYSA-N;133.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70077;MM70077;CNN=CCOCCC=O;OYTCZEZKEYBRMR-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70078;MM70078;C=NOCC(=CCN)OC;QERQECDHRIOWDK-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70079;MM70079;C#CC=CCN(C)NC=O;ITYNQAMHHRYBQZ-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70080;MM70080;CNC(=CC#N)OCC=O;SGYBZAXLROODBV-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70081;MM70081;C=CC=C(CN)COC=O;GFOYPZBYCVGQSY-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70082;MM70082;C#CCC(C)(CO)NCC;QYJRERMWYAWAQC-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70083;MM70083;C=NNC(CC#N)=NCC;DTEYMURIOGIDAR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70084;MM70084;C=NN(C)C(COC)=NN;IDGFXTYDISJUFH-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70085;MM70085;C#CC(=O)C(C)CNN=C;VTAHTSXCRDFYMW-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70086;MM70086;CCN(N)C(=O)CCF;YARDPTVZDKLNHR-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70087;MM70087;O=C(CC=CCF)CCO;MWCMMRKAYALQKQ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70088;MM70088;O=C(CC=CCO)CCF;OQGDBEUXGDNBHB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70089;MM70089;COC=CC(=CCN)OC;OANSBUZHQCVLML-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70090;MM70090;CCOC(=CCNC)CN;WXZGUWYUPGNRJG-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70091;MM70091;C=CCC(=COC=O)CN;QTUKEPNOGUDFPW-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70092;MM70092;C#CC(=CNC=N)OC=C;PSASWICCDSIGCG-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70093;MM70093;C#CC(C(=N)N)N(C)C=N;YKXJFNYOEANLNB-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70094;MM70094;CCN=CNC(=O)CCF;BYBNTEKVYNCFFT-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70095;MM70095;CC(C)C(CN)=C(F)CN;KGXWQKWJYGGYNQ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70096;MM70096;CNN=CCOC(C)C=O;ZGCXAQXBFZIEOD-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70097;MM70097;CC(C)=C(CN)COC=O;ACKSTFWUTBCLMK-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70098;MM70098;C=CC(CCNN=C)NC;VVWWWLVHFARVQC-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70099;MM70099;C#CC(CN)CNCCF;ZHNNABICPGIOAL-UHFFFAOYSA-N;144.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70100;MM70100;CCN=CNC(=O)COC;DUIRUWKSCUCYQB-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70101;MM70101;COCC(=O)NC=NOC;XFGRQZMUNJFSHV-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70102;MM70102;C=NNC(C=CN)=NOC;DQVJQJISJHRDKX-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70103;MM70103;COC=CN=C(N)C(C)=O;QNWFPJZCNCTZPN-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70104;MM70104;NC1(CO)CC1;OBMKZINZPBARIK-UHFFFAOYSA-N;87.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70105;MM70105;CCC=NNC(=O)CCO;PUHSXSWKXGURJT-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70106;MM70106;CC#CC=CNC(=N)NO;ZNAUUFQZYWFSRD-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70107;MM70107;C=NNCC=NNCC#N;MRYHIPRISVHGOX-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70108;MM70108;C=CN(O)C(=NO)NO;PXBOSILLKOFYQF-UHFFFAOYSA-N;133.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70109;MM70109;C=NN(CC)C(C)=NO;RRYVEVVPPFAXFW-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70110;MM70110;C#CC(=O)C(C=C)CNC;WHXYAFRHFCVOFZ-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70111;MM70111;C=CCC#CC(=O)NC=N;WXHVERWPRZSENE-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70112;MM70112;N#CC=C(CO)NC=N;MROFBPUQXKYDOP-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70113;MM70113;C=CC(C=C)NCCNC;IVJGMXQMDBLHOL-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70114;MM70114;COCCCC(=CF)CN;AWXMIQDFSBLWEJ-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70115;MM70115;CCNC(=O)NC=COC;FRPQLFHHMKXBIJ-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70116;MM70116;C#CC(C)NC(=NC)NO;TZAZCBKEEQKKNG-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70117;MM70117;CNC(=NO)NN=CC#N;GELLVDAZXLCAJS-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70118;MM70118;CC(C)(C)C(=O)NC=N;QOPUVPSODTXKQA-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70119;MM70119;CCOCCC(=CF)CN;KHDXESIDDOMFGA-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70120;MM70120;CC#CC(=O)NNC(C)C;LGCSCPJFPSZTBC-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70121;MM70121;CN=C(C(=N)N)N(C)O;RQNMNGDZYYXKFL-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70122;MM70122;CCNC(=O)NN=CCO;ULQOPMFGTPTQOR-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70123;MM70123;CC(=NCC(C)CN)NO;FDRIAAJCKXDTQA-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70124;MM70124;CCNC(=O)NN=COC;QSBRVLKWNRLVJZ-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70125;MM70125;CCC(C#N)CC(=N)NO;SCVTUFOVICLOKT-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70126;MM70126;CCC=NNC(=O)NOC;LCZJPVKUCWJUIF-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70127;MM70127;CCC(CO)C(CO)NC;HIPCLSQRBBMDEB-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70128;MM70128;C=NNCCC(=CF)CN;RMDWTSCQYOEYNW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70129;MM70129;CCOC(=O)NN=CCO;KNIDZHCZEAASIT-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70130;MM70130;C=C(CCO)OC=CCO;JYFTWHRQLWWSES-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70131;MM70131;C=NNCC=C(CN)CF;KOBDUHWFYSZOBY-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70132;MM70132;C#CC(=NC)N(C)CCN;UYPYGDYPYNISHU-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70133;MM70133;CCC(CN)=C(F)CNC;CHNXQQSRJFIVTE-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70134;MM70134;NCC=CF;DTGSMKHVQQJWTL-UHFFFAOYSA-N;75.09;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70135;MM70135;C=C(COC)OC=CCO;JUOLPLHBVZHADX-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70136;MM70136;C=C(CN)CF;TWGHLOBVVYTAPI-UHFFFAOYSA-N;89.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70137;MM70137;COC=COC(=O)COC;CLCXPUHENLWTPL-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70138;MM70138;CC(=CF)CN;OCLCIENZTGYPKU-UHFFFAOYSA-N;89.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70139;MM70139;CNNC(=O)N(C)OC;KKUMSAKKFBHZBM-UHFFFAOYSA-N;133.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70140;MM70140;CC(O)C=COCC(C)N;JTKSCHHNQNZLAK-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70141;MM70141;CN=C(N=CNO)NC=N;JGQWZOWMRFOQPO-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70142;MM70142;COC=CCN;IPTZDVLIELQAKV-UHFFFAOYSA-N;87.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70143;MM70143;CC(N)(CN)CN;LQGXMVHKZWQXKT-UHFFFAOYSA-N;103.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70144;MM70144;CCNC(=O)ON=CCO;OTYSNPXRUZTANP-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70145;MM70145;C=CC(C)(N)C=C;OPWDHNDUCLKEHY-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70146;MM70146;CCNC(=O)ON=COC;HQUOFMBSBAOADM-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70147;MM70147;CCC=NOC(=O)NNC;UKVYLOAZRWVDEO-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70148;MM70148;C#CCNC(=O)CON=C;NEOZBZPEYFTVRA-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70149;MM70149;CNN=CC(C)(O)COC;VSASELHUDJTCNI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70150;MM70150;C=CC=CCC(=O)CCO;ZNGVHWNBQYFKOH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70151;MM70151;O=CC=CCC(=O)CCO;SNWGSMVKTTWIHE-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70152;MM70152;CCOC(=N)NC;FDPBQBLWNHRSAR-UHFFFAOYSA-N;102.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70153;MM70153;COC(C)=CCN;CQVUFWYFASRUTG-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70154;MM70154;C=NNCC(=O)C(N)=O;JPDVIUFGMAZMID-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70155;MM70155;O=CC=CNC(=O)CCF;ZJJJUEOAXUYGCW-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70156;MM70156;CON(C)C(C)=N;JGCJXEPADLWULD-UHFFFAOYSA-N;102.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70157;MM70157;C#CCC(C)(O)C=NNC;AKFKODANKJEZPY-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70158;MM70158;CCOC=CCN;NBSSMHSAABJKAX-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70159;MM70159;C=CC=CNC(=O)COC;JUGRUZSCBFESKW-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70160;MM70160;COCC(=O)NC=CC#N;BYLBBIHKWVJRIB-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70161;MM70161;C=C(CC(C)=O)C(C)NC;JKIMYWSSBHRKBX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70162;MM70162;C=NN=CNC(=O)CCF;SQMRLTIIXRXHRP-UHFFFAOYSA-N;145.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70163;MM70163;COCC(=O)N=CNC=O;TVDBIYHXVCWHOM-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70164;MM70164;C=NN=CNC(=O)COC;QMDGMJJCMXLZPP-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70165;MM70165;CON=C(NO)N(C)O;HEUZKWQTFUCWOR-UHFFFAOYSA-N;135.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70166;MM70166;C=CC=NNC(=O)CCO;JVSDWXMEEKTNKJ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70167;MM70167;N#CC=NNC(=O)CCF;CEWUCDKUEHGVIO-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70168;MM70168;C=CN(O)C(=NC)ON=C;XGIQWSBHUGDSNW-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70169;MM70169;CC(=CCO)OCC(C)N;OPHYYEMLEHXULJ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70170;MM70170;COC(CCO)C(C)(C)N;USWGNEMCIQJNNX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70171;MM70171;C=CC(=N)NC(=N)NN=C;LNFOUSBLOGJNMH-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70172;MM70172;C=CC=NNC(=O)COC;FIXPRNUQPXMANA-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70173;MM70173;COCC(=O)NN=CC=O;IUOPMTZCHBDCRY-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70174;MM70174;COCC(=O)NN=CC#N;YKTUFEWPLOXPFJ-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70175;MM70175;C=NNCC(C)(O)CC#N;BTDFYKFIIROZIA-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70176;MM70176;CONC(=O)NC=CC#N;ZJPCRFUUFTYNGT-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70177;MM70177;CCNCC(C=O)CF;SQYPAIAVOMXEDN-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70178;MM70178;C=CCNN=C(C)C(C)O;SYXWRLBOFLPWDY-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70179;MM70179;C=CC=NNC(=O)NCC;JSCRTNMXTDAHAU-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70180;MM70180;C=NN=CC(CO)ON=C;SIPXKCQLPCKMIL-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70181;MM70181;C=CCNN=C(CC)CO;XXKKOEWOFAPLBD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70182;MM70182;C=CC=NNC(=O)NOC;PEZUQOHUCOKMRP-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70183;MM70183;CONC(=O)NN=CC#N;KGTKPSLKWOHOGH-UHFFFAOYSA-N;142.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70184;MM70184;C=COC=CCN;KOCVEJFSGOADPC-UHFFFAOYSA-N;99.13;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70185;MM70185;C=C(N=CNC=O)OCC;VZKSDJUKQUJVPU-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70186;MM70186;CCN=CN=C(NO)OC;QGVVLVRADUNVAR-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70187;MM70187;C=C(C)CN(N)C=N;GLKACAQEQIZNJF-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70188;MM70188;N#CC=NOC(=O)CCO;FUMXWTRSSXIUEW-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70189;MM70189;C=NNCC(O)CCC#N;HKEJSUOMHBKTIP-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70190;MM70190;C#CCCN(C)N=CCO;NEVKYHRLZHVNAG-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70191;MM70191;CCNC(=O)ON=CC#N;OCZJWGHLQSMWEY-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70192;MM70192;CNNC(=O)ON=CC#N;ZOGURBMXAMFWIU-UHFFFAOYSA-N;142.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70193;MM70193;CONC(=O)ON=CC#N;NJDIUYSCENXCOP-UHFFFAOYSA-N;143.1;-0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70194;MM70194;C=NNC=CN=NCCO;HBTHTIQGTOYQQB-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70195;MM70195;N#CC(F)=CC(=N)N;BVMJLQHLRTZKPR-UHFFFAOYSA-N;113.1;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70196;MM70196;C#CC=CCC(=O)NOC;DOYCXZYLHMVCSF-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70197;MM70197;CCC(NC=O)C(C)(C)N;UFHGKWBMXJOTGE-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70198;MM70198;C#CC=CNC(=O)CCO;PXLFKHUUBKXBPF-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70199;MM70199;CC(C)OC=CCN;WPFANIJKSOALEM-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70200;MM70200;CC(=CCN)OC=O;WGSDMFAGJDFQMM-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70201;MM70201;C#CC=CNC(=O)COC;BDVDNUPQRHBZQE-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70202;MM70202;COC(C)ON=CNO;SWOUHWLKPBPOKT-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70203;MM70203;C#CC=NNC(=O)CCO;ZUCLQJAXZJMIEJ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70204;MM70204;C#CC=CNC(=O)NCC;MVQQFSOANCKKHY-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70205;MM70205;C#CC=CNC(=O)NOC;HRZAFLBENCYYSK-UHFFFAOYSA-N;140.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70206;MM70206;C#CC=NNC(=O)NCC;XZIUAZKRUIHKGS-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70207;MM70207;C#CC=NNC(=O)NOC;KYVZRFNLZXJVHN-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70208;MM70208;C#CC=COC(=O)COC;XQZWCWKXJZNZTF-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70209;MM70209;CC(NCC#N)C(=O)CF;NKVJTZMTIWLCAS-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70210;MM70210;C=C(CN)C(C)OC;DQQTUDPPMIBLLB-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70211;MM70211;COC(C)=C(C)CN;OXBGJOXJHPSLLI-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70212;MM70212;C#CC=NOC(=O)NCC;PPAPGMJYFRQXKN-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70213;MM70213;C#CC=NOC(=O)NNC;FMKLZYQCALFJLZ-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70214;MM70214;CCCN=CN(N)C(N)=O;WOWHCHCVYOSMLM-UHFFFAOYSA-N;144.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70215;MM70215;C#CC=NOC(=O)NOC;SACIOQPYGQWNAE-UHFFFAOYSA-N;142.11;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70216;MM70216;N#CCC(=O)CC=CCO;IPVFMNPVMRDFFX-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02569;MM02569;COC=CCC(=O)CC#N;XSSQIWYTEAGPJP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70217;MM70217;C=COC(CCO)ON=C;XFRKTXOSQCRYRQ-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70218;MM70218;CNN=CNN=CCCO;AAQOKSLQUYRMJU-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70219;MM70219;C=CNC(=O)CC=CCO;WDFIRQBOHBEZRZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70220;MM70220;C=NOC(C=O)COC;FWLOAGFRVVDKMG-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70221;MM70221;CNCCC(=O)OC;NGNUXOCKVMKGQL-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70222;MM70222;CCCC(C)(N)CNC=O;PGUWJUVQWWOBCG-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70223;MM70223;CCONC(=NC=N)OC;OOEZVMYXLPFIPH-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70224;MM70224;CNC(C)C(CC=O)NC;YBXXHBFZMQIONM-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70225;MM70225;C#CCC(=NN)NN=C;LCYCYQPNTMJAPS-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70226;MM70226;C=NNCC(C#N)COC;WHKIUEQTSABSSZ-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70227;MM70227;CC=C(CN)COC;LKTARZAEUNLALS-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70228;MM70228;C#CC=C(CN)CN;WSWYTPQYXPCNLK-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70229;MM70229;C#CC=C(C=C)CN;BMKXTJSOJMUSIH-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70230;MM70230;CCC(=CC(N)=O)CNC;CDVHZHGJAJEGSW-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70231;MM70231;C=NOC(C)OC(C)=NN;XEGQWICLQWLJEC-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70232;MM70232;CCC(=CC(N)=O)C(C)N;DNHOEQRPJOSCPX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70233;MM70233;NCC=COCCF;WROIAUYWCBSOJX-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70234;MM70234;C=CC=NNC=NOC;PPNNWSQLYRNDNC-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70235;MM70235;CCNC(C#N)C=NNC;YUSUVNKXISJTGK-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70236;MM70236;CCCC(N)C=CC(N)=O;GDRRREGURBCJGE-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70237;MM70237;N#CC=CNC(=N)C#N;DOUPLAOHMXEBED-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70238;MM70238;C=CC(CCC=O)NC;CVWRFIJPTOLPAV-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70239;MM70239;C=NOCC(CF)=NNC;RJPWWBQMXGXCDE-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70240;MM70240;COC=CNC(=O)CC=O;HMBPFDNRKOYWSF-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70241;MM70241;COC=CNC(=O)CC#N;WLEJNWIZAAQKME-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70242;MM70242;C=C(OC)C(C=O)CNC;WTDUGNMJYUOQBB-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70243;MM70243;C=CCC(=O)NC=NCC;GXLGNDANCUFLHH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70244;MM70244;C=CC(CC(C)C=O)NC;VSNCRFJAAASUKW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70245;MM70245;C=C(CC=O)C(C)NC;MQSCSGAMIBJIHX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70246;MM70246;C=CCC(=O)NC=NNC;JKZUPSDAGXUTBN-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70247;MM70247;CNN=CNC(=O)CC#N;HPTUCQDHUHVBIC-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70248;MM70248;CNC(C)COCC=O;ZKZVONZMOVEEDK-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70249;MM70249;CC=CC(=NC)NC=O;HDPMANOAKWGKIF-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70250;MM70250;C#CC(O)C(C#C)NN=C;ZLAHZIJLZSTRBB-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70251;MM70251;CCNCCOCC=O;ZVYBPDWLRNBQIZ-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70252;MM70252;C=CCC(=O)NN=CCO;GQVGTIVGXHAKSJ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70253;MM70253;O=CCC(=O)NN=CCO;YMGCOGFTVUKDIR-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70254;MM70254;C=CC=NNC(=N)N;IISVITXTOPTYJC-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70255;MM70255;COC=NNC(=O)CC=O;KYNKZPILRNSTAG-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70256;MM70256;C=CNC(=O)NC=CCF;RPYAQVNFHOWXJU-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70257;MM70257;CCC=CNC(=O)NC=O;LILRBVIKVNKNSU-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70258;MM70258;C=CCOC=CCN;WDZQBBQNKWJNNT-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70259;MM70259;C=CNC(=O)NC=COC;LITIZCGRBQEPBR-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70260;MM70260;C#CCOC=CCN;ITPSHVHCOPUSLW-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70261;MM70261;C=CN(C=N)C(C)C(C)=O;BVJWTRHMROMQAY-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70262;MM70262;CNC(=NN)NC=CF;XHQVSRJJYGDTDR-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70263;MM70263;C=CC(=C)C(C=O)NC=N;RUBGYZGNGVUMQZ-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70264;MM70264;CNC(C)C(C)NCC=O;VSEIKJTZINPBRC-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70265;MM70265;CNC(C#N)C(F)C=O;OXZGUPCAIBNECX-UHFFFAOYSA-N;130.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70266;MM70266;C=CNC(=O)NC=NNC;APIZLLLFPCYMCG-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70267;MM70267;CNN=CC(C)(O)C(C)O;SRBDQXATTIHVSF-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70268;MM70268;CC(F)(F)C#CC(=N)N;FPTGOYKDCBMWKP-UHFFFAOYSA-N;132.11;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70269;MM70269;CCC(CNCC=O)NC;SMTRSQXQQQHAJH-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70270;MM70270;C=NOCC(C)(O)CF;YYKJKWDJZOQGLS-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70271;MM70271;C=NNC(=O)NC=NOC;TYFAUFVFTKFIHH-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70272;MM70272;CNN=CC(=N)N(C)C;JBVRJROOADHAFO-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70273;MM70273;CC(O)(C=NN)CO;RRRXCCKIMFNGCM-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70274;MM70274;C#CCC(O)C=NN;DSIQYPRJKDVCTK-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70275;MM70275;C#CC(ON=C)C(C)O;ONVPXSFKACVGPF-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70276;MM70276;CC=NOC(CO)C(C)O;ANFLXJMZRWTFHM-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70277;MM70277;C#CC=CCC(O)C=NN;KBQSNLYVUQENLZ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70278;MM70278;CNN=CC(C)(CO)OC;HHJLQTZRVCWGGI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70279;MM70279;C=CNC(=O)NN=CCC;QTZYZFVYTHEDCB-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70280;MM70280;C=CNC(=O)NN=CCO;PXOIACCWHTWWSU-UHFFFAOYSA-N;143.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70281;MM70281;C=NNCC(C)(C#N)CO;SITDQABWNXIDRZ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70282;MM70282;CNC=NN=CCCNC;BELIRXIKDSGOJB-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70283;MM70283;N=CN=CN(O)C=CF;WQMPXVJCPIQLKF-UHFFFAOYSA-N;131.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70284;MM70284;C=CC(CCC(C)=O)NC;LUYONDZNJBLUNE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70285;MM70285;N#CCN(C=N)N=CCO;LNPPLFIYBXRXLB-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70286;MM70286;CNC(C)C(C)=CC(C)=O;ZTRBIACTPHEORQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70287;MM70287;C=CNC(=O)NN=COC;MFOXBLXFJHBZRI-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70288;MM70288;COC=NNC(=O)NC=N;YWFNEVVRZIUEQJ-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70289;MM70289;CC(N)=CC(=N)NCC#N;WRRBCXZWFKGVFC-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70290;MM70290;CC(N)C=CC(C)C=NO;LTKKVUJRFVKJNK-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70291;MM70291;C=CNC(=O)NC(=N)NC;KOSWAHKISUHUSM-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70292;MM70292;C#CC(=N)N(CC)C(N)=O;CWKUWAXWSYHWCX-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15398;MM15398;C=NNC(=O)NN=CCO;BIGTXULXNHIDHA-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70293;MM70293;C#CC(C)C(C#N)C(=N)N;ZMUCSVHSGZRCRR-UHFFFAOYSA-N;135.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70294;MM70294;C#CC(OC)C(C)(C)N;JMHJCFQJTACCCV-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70295;MM70295;CC(=O)OC(C)=CCN;QXBXNTGOEJXZMC-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70296;MM70296;C=CC(C)(N)C(=C)CN;YIEGTSQNMPDSFU-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70297;MM70297;C=NOC(=O)NC=COC;JYFCXVKDWUZCED-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70298;MM70298;C=NNCC(C)(C)CN;REFPFUDPJXZGGY-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70299;MM70299;C=NOC(=O)NC=NCC;QOJBUDFPCGJCFP-UHFFFAOYSA-N;143.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70300;MM70300;C=COC(C)ON=CNO;PBIBGZHKFDOOLE-UHFFFAOYSA-N;146.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70301;MM70301;C=NOC(=O)NC=NOC;OPPZGABPRFVVAT-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70302;MM70302;CCC(OC)ON=CNO;JQWFDWBQIIQXOR-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70303;MM70303;C=CCNN(C)C(N)=O;OKEWCZZFHYLSKP-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70304;MM70304;CC=CCNN(C)C(N)=O;YGUZJZRPAQSCNL-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70305;MM70305;C=C(NC=N)C(C)=NO;UELOMXREXXYAAK-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70306;MM70306;C=NOC(=O)NN=CCC;OQQHOXLCMZTLKH-UHFFFAOYSA-N;143.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70307;MM70307;CC(O)(C#CCF)C(=N)N;NAQAGPIIBRGZKM-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70308;MM70308;C#CC(C=NN)=CCCO;MCTGAVHYVKFIDU-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70309;MM70309;C=NOC(=O)NN=COC;FKVFCBSLJIATJW-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70310;MM70310;C=C(CC=O)OC=CCO;QCDFZSUWFYJWKO-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70311;MM70311;CNN=COC(=O)CC=O;UGZVOYKVRYZNCS-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02921;MM02921;CON=COC(=O)CC#N;BBFLKSQKOQCUDT-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70312;MM70312;CNN=C(CF)NCC=O;CMOXIAWXEYXVJC-UHFFFAOYSA-N;147.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02920;MM02920;COC=NOC(=O)CC#N;APWVSHHIYNKHNQ-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70313;MM70313;C=NN=CC(O)C(C)(C)N;OGXPPJCXBYGKOL-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70314;MM70314;C=C(NC=O)OC=CCO;RCDJLOMPMSWHKP-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70315;MM70315;C#CCNC(=N)C(O)CC;FLVASKKMBNATTO-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70316;MM70316;C=C(NC=O)OC=NNC;WZYJDKQULHDAGY-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70317;MM70317;CNN=COC(=O)NC=N;XXKXGDGZTDNUFU-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70318;MM70318;C#CC(=N)NC(=C)C=C;FWQLXYPNROIPES-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70319;MM70319;CC(F)=CCN(N)C=N;GQTHCOFYJSWTOS-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70320;MM70320;CN(C)C(=NC(N)=O)NN;NRNIDFYSMMZSIO-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70321;MM70321;C=NNC(=O)OC=NNC;RNUGNYGTCNYRQY-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70322;MM70322;C=CN=C(CO)NCCF;MNAMSSVWUNHNIZ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70323;MM70323;C#CC(C=O)NN=C;AJATWUGBMPTRAC-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70324;MM70324;CCN=C(CO)NCCF;DMNCNMMIDNUTLD-UHFFFAOYSA-N;148.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70325;MM70325;CNCCOC(C)(C)CO;RPHQHAKIEVZAKB-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70326;MM70326;CCC=NOC(=N)NC=O;YUHWICYEDIQYBO-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70327;MM70327;C=CNC(=O)ON=CCO;SVWAKBDXFAWPJH-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70328;MM70328;CCC=NOC(=O)NC=O;REBUYCUCJWFRJP-UHFFFAOYSA-N;144.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70329;MM70329;C=COC(=O)CCNC;PKQGHQDPRQVKQF-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70330;MM70330;CCC(O)COCCNC;LXTCULFNRBXDOL-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70331;MM70331;COC=NOC(=N)NC=O;JDJAYJLPQLEHCK-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70332;MM70332;C#CC=NNC=NCC#C;RRXRLNYVGNPDJP-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70333;MM70333;CC#CC(N)CNCC;JIDJSGKAPCGIEV-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70334;MM70334;C=COCC(=N)N(C)N;YUFSWWCTBFFWKY-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70335;MM70335;C#CCNN=CCOCC;OKLJTVWKWREPCC-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15632;MM15632;N#CC=CCC(=O)CC#N;UXVIPVRLVPAQIR-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70336;MM70336;COC(=O)OC=CCN;SYFNHTMCGKBVNF-UHFFFAOYSA-N;131.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70337;MM70337;C=CC(=O)OC=CCN;DCNSRNFFDHYKQJ-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70338;MM70338;CCON=CNOCC#N;APZNPOVLEPXEGR-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70339;MM70339;CNCCOC(C#N)C#N;HTOBTOLQXPRFJT-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70340;MM70340;C#CC(=C)OC=CCN;FULWHBWELIOSIG-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70341;MM70341;CNCCOCC(C)(C)O;ABSFGUFUJSWZEP-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70342;MM70342;C=NN=CCC(=O)NC=O;QILHHTHHKWBRRD-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70343;MM70343;CCC(CO)OCC(C)N;GMRXKANXMVESIL-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70344;MM70344;C#CCNC(C=NO)=NN;XVPNULGLEYYZNV-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70345;MM70345;C=CC=CNC(=O)CC=O;WPLTUTISDJFJCK-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70346;MM70346;N#CC=CNC(=O)CC=O;LOZDAYLARPPJBV-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70347;MM70347;N#CC=CNC(=O)CC#N;LVHMHORAMSIJEI-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70348;MM70348;CNC(C)C=COC=O;MOFLQDVKFDCPIG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70349;MM70349;C=C(CC#N)N=CNC=O;CNWMXNXKAFTMCF-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70350;MM70350;CC=C(F)CC(=O)NC=N;RMTOHMJODUVTGI-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70351;MM70351;N#CCC(=N)N=CNC=O;UNFHMXGOAVVKDC-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70352;MM70352;C=CCC(=O)NC=NC=N;MFFONBBJLAOQFI-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70353;MM70353;N#CCC(=O)NC=NC=O;JWMKYFBTPHVTKM-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70354;MM70354;CCC(CO)OCCNC;NQSXFLWXQYWQDV-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70355;MM70355;CC(N)COC(C)CO;JKPDVAVDCVXWKV-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01768;MM01768;C=CCC(=O)NN=CC#N;YHJXEOKRNQIUIM-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70356;MM70356;O=CC=NNC(=O)CC=O;SFJVLQDZVOLMIN-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70357;MM70357;N#CCC(=O)NN=CC=O;CAVDTUNLXTVGFO-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70358;MM70358;N#CC=NNC(=O)CC=O;QOTCAMAUZODJHK-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70359;MM70359;C=C(CN)C(C)OC=O;XCNKQOYXVWJWEQ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70360;MM70360;C=C(NC=O)NC=CC=O;QXTNOQYKINCBPT-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70361;MM70361;C=CC(C)(CO)NC=NC;XEILDDPEXFLLRI-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70362;MM70362;C#CC(C=C)NC(=N)NO;WUVLXHIUJXUNFX-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70363;MM70363;C=CNC(=O)NC=CC#N;SMEWDSWNRWSFOJ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70364;MM70364;C=CC(=C)N=C(C)NC=O;PUQGHNAFHCULAJ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70365;MM70365;C=NNC(=O)NC=CC=O;CWCLFSHXZDSZCA-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70366;MM70366;CNCCOCC(C)O;VEXOJGAJYOLIIP-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70367;MM70367;O=CN=CNC(=O)NC=O;COMNFAVNGWKXSE-UHFFFAOYSA-N;143.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70368;MM70368;C#CC(C)(C)C(N)C(C)O;PMPXXEOEXAMUPL-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70369;MM70369;C=CNC(=O)NC=NN=C;NUUAGAKYLICFJJ-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70370;MM70370;CC=CC(N)CC(N)CO;KRECMJSPLBKTLD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70371;MM70371;C#CC(OCCO)C(=N)N;XJWNKSXIWPJJDB-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70372;MM70372;C=NOCC=NNC=O;FREIRBVJBOPMKM-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70373;MM70373;C=NNC(=O)NC=NC=N;QGRNGUKPMXOXDA-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70374;MM70374;C=NNC(=O)N=CNC=O;BBEZUQFPVQCHLY-UHFFFAOYSA-N;142.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70375;MM70375;C=NOC(CO)OC(=C)C;DAOJYIUEJDITCW-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70376;MM70376;CNC(=N)NN=CNO;XARGAESMZKJFNK-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70377;MM70377;C=CC=NNC(=O)NC=C;FYHADQDCVFIMSI-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70378;MM70378;C=CNC(=O)NN=CC#N;LCBBTCJJQOEGFB-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70379;MM70379;CC(=N)N(CC#N)CCO;IMPCJXFCFPLIKC-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70380;MM70380;CCC(O)C(C)=NN(C)C;SQLZLTMXJQGHQD-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70381;MM70381;C=CC=NNC(=O)NC=O;IZKIRPPKCVVCAI-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70382;MM70382;O=CC=NNC(=O)NC=O;VYQLAPHKPHRHHC-UHFFFAOYSA-N;143.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70383;MM70383;N#CC=NNC(=O)NC=O;QMIWAFPYADPGRI-UHFFFAOYSA-N;140.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01580;MM01580;C=CC=NNC(=O)NN=C;GFSKDJXPPQQBIW-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01793;MM01793;C=NNC(=O)NN=CC=O;GCSYDFRBMOKQEZ-UHFFFAOYSA-N;142.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01790;MM01790;C=NNC(=O)NN=CC#N;PQPLWZREOFTEAG-UHFFFAOYSA-N;139.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70384;MM70384;CNC(C#N)C(=O)C(C)F;IEWOSENSSRLPOM-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70385;MM70385;C=NOC(=O)NC=CC#N;RHCJZSOXMYLHOI-UHFFFAOYSA-N;139.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70386;MM70386;CC(O)CC(C)(N)C=CF;SPMSXUPWHKWIMS-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70387;MM70387;C=NOC(=O)NC=NC=N;XQMZKFXWGHNHPF-UHFFFAOYSA-N;142.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70388;MM70388;CC(N)COCCC(C)O;JMHRFHRECTVZMU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70389;MM70389;C=NN=CNC(=O)ON=C;JKJDFBZBUVJMOW-UHFFFAOYSA-N;142.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70390;MM70390;CC#CC(=N)NC=CCO;CYPHVPPSGLVPBW-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70391;MM70391;C=NOC(=N)NN=CC#N;GGHFEOVEEDTHFG-UHFFFAOYSA-N;139.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70392;MM70392;C=NOC(=O)NN=CC=O;QGTMYTYGPMVPPW-UHFFFAOYSA-N;143.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70393;MM70393;C=NOC(=O)NN=CC#N;UQKJXEIZJZPWGL-UHFFFAOYSA-N;140.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15999;MM15999;N#CCC(=O)OC=CC=O;UQZYCGJWTOOWSA-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16005;MM16005;N#CCC(=O)ON=CC=O;AYECCDDVCXKHTL-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15983;MM15983;N#CC=NOC(=O)CC=O;RMYLWQTVULMAGN-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70394;MM70394;CNC(C)C(F)=CCN;NBSLHEHHTJRSIC-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70395;MM70395;CC(CN)=C(C)OC=O;PZVNCXPYEVMHPH-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70396;MM70396;C=C(NC=O)OC=CC#N;QVMBAZCFMIRDQU-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70397;MM70397;COC=C(CN)CCF;DWQAQMGJHOBHET-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15273;MM15273;C=NN=COC(=O)NN=C;DBGNAGWFZZQNIQ-UHFFFAOYSA-N;142.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70398;MM70398;COC(=CCN)CCF;VBDXCDCMBOSUJD-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70399;MM70399;CCC(=CCN)OC=O;AMWHVHBJJRHALF-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70400;MM70400;CNCCOCC=CCO;QQIOABFOCZYBME-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70401;MM70401;C#CC(C=NC)=CNO;GWYHTEJOZCOTOG-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70402;MM70402;CNCC(C)C(=O)C(C)=O;QQBNKMFYLKHYJS-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70403;MM70403;C=CNC(=O)ON=CC=O;JVSQBFIWBSGXGH-UHFFFAOYSA-N;142.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70404;MM70404;C=CNC(=O)ON=CC#N;INHGNKCCHOVFOQ-UHFFFAOYSA-N;139.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70405;MM70405;C=CC=NOC(=O)NC=N;RWTFUSPVCQPVLS-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70406;MM70406;N=CNC(=O)ON=CC=O;IIEFXGCVJIFZAZ-UHFFFAOYSA-N;143.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70407;MM70407;C=CC=NOC(=O)NC=O;QMVOMTVYRVCPKO-UHFFFAOYSA-N;142.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70408;MM70408;O=CC=NOC(=O)NC=O;RAVATOXSKHILTK-UHFFFAOYSA-N;144.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70409;MM70409;N#CC=NOC(=O)NC=O;QRORCBRGMWAJHU-UHFFFAOYSA-N;141.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70410;MM70410;C=NNC(=N)ON=CC#N;UXVMLHZZFOMDBU-UHFFFAOYSA-N;139.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70411;MM70411;C=NNC(=O)ON=CC=O;QFSKOTROWBZSLV-UHFFFAOYSA-N;143.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70412;MM70412;C=NNC(=O)ON=CC#N;KXUQEZGRHWHCKS-UHFFFAOYSA-N;140.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70413;MM70413;COC(CF)=C(C)CN;FGIBVZLIRKREFX-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70414;MM70414;CC=C(CN)COC=O;LAQSIAPGETWKNN-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70415;MM70415;C#CC=CCC(=O)NC=O;XPPWYIZRPQZXHZ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70416;MM70416;CNCC(C)(CCO)OC;SEKLHBKHIGOAQT-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70417;MM70417;C#CC=CNC(=O)CC#N;ZRMRDQQBRSXYDB-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70418;MM70418;CC(N)(C=CF)CCO;YOOMGENWYGPRNZ-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70419;MM70419;C=C(C)C(N)C(C)CCO;WWUBVSJOYIQBEA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70420;MM70420;C#CC=NNC(=O)CC#N;HEXNEMWGEWLAFC-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70421;MM70421;CCC(=COC=O)CN;RPYHZIFPUHCCBY-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70422;MM70422;C#CC=CNC(=O)NC=C;GLECAUIQPWHMFY-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70423;MM70423;C=CC(C)C(CO)=NN;JPEVWSFBQCIMFB-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70424;MM70424;CNC(=N)NN=CC=O;NCAYBXPXKHVRAR-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70425;MM70425;C#CC=CNC(=O)NN=C;AIFJLYYJXFDWMK-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70426;MM70426;CC=NNC(=N)NN(C)C;RFIWGCBSMNBDGW-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70427;MM70427;CNC(CC=O)CCF;GSSROOWCPOYCRV-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70428;MM70428;CCCC(CO)=NN(C)C;HVGOMVUDIGJQGF-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70429;MM70429;C#CC=NNC(=O)NC=O;MAYZDOBFDQFEOY-UHFFFAOYSA-N;139.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15397;MM15397;C#CC=NNC(=O)NN=C;CALCRZROGOEPSW-UHFFFAOYSA-N;138.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70430;MM70430;CC#CC=C(CN)CN;CGZMRLNNTAIXSX-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70431;MM70431;CNCCNCC=CF;SDBMWHHJKPRIAL-UHFFFAOYSA-N;132.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70432;MM70432;C#CCC(ON=C)C(N)=O;IYILKDBGWDJXNK-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70433;MM70433;C#CC=NNC(=O)ON=C;AEEDWVNGHYXDGM-UHFFFAOYSA-N;139.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70434;MM70434;O=CCCNCCCF;UMRBUVDDFHEMKP-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70435;MM70435;C#CC=NOC(=N)NC=O;YGTWHCGKJOZXGE-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70436;MM70436;C#CC=NOC(=O)NC=C;CXCDACFDPPUEIW-UHFFFAOYSA-N;138.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70437;MM70437;C#CC=NOC(=O)NC=N;XOCCAXCLMSVOKY-UHFFFAOYSA-N;139.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70438;MM70438;C#CC=NOC(=O)NC=O;QBYUXTQFONOEHB-UHFFFAOYSA-N;140.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70439;MM70439;C#CC=NOC(=O)NN=C;XGSNPJJTUULTJN-UHFFFAOYSA-N;139.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70440;MM70440;CNCCNC=CC#N;ABQZWSINZPSQKD-UHFFFAOYSA-N;125.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70441;MM70441;CC=C(NC=N)OCC=O;MWXCQMCLXWRYNT-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70442;MM70442;C=COCOC=CCN;NRSLOIJURSCLOA-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70443;MM70443;C#CCC(=O)NC=COC;SUZNFGMCXMPAFX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70444;MM70444;CNN=C(CCC=O)NC;PIEYEDQZAVHJKF-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70445;MM70445;CNC(=N)NN=CC=CN;WWRBCXNCIWAYSK-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70446;MM70446;C#CC(=NN)NC(=N)NN;GWISYPNPTPADDR-UHFFFAOYSA-N;140.15;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70447;MM70447;C#CCC(=O)NN=COC;QWGKUFXDVAXQOP-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70448;MM70448;C=NNC(CC#N)C(C)O;QDRIFAVSLCQBJR-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70449;MM70449;C#CC(=O)CCNCC;XUTQHPOQRBQVFD-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70450;MM70450;C#CCC(=O)NC=NC=O;MCWWGQHQUYISAV-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70451;MM70451;O=CC=CC=NOCCO;VYVIYWYAWIETKN-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70452;MM70452;C#CCC(=O)NN=CC=O;ANIUHDNAPKOTSF-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70453;MM70453;C#CCC(=O)NN=CC#N;CFOWHBPADMVTIO-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70454;MM70454;CNCC(C#CCF)CF;XVTSYFPQSNQSOW-UHFFFAOYSA-N;147.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70455;MM70455;CNN=CCC(F)C=NO;BFLIBGCHOZBLLU-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70456;MM70456;COC=COC=CCN;ACTHASZDQVTUNY-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70457;MM70457;CON=COC=CCN;UCZIIROVGGAWMS-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70458;MM70458;CCC=NNC(C)C=NO;BCHMJYPUUQFYTH-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70459;MM70459;CC(C=NO)NN=CCF;XYMAQOMZXIKPMT-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70460;MM70460;C=NN=COC=CCN;ITVCRQJPQHCUJD-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70461;MM70461;CN(C)C(=O)CC(C)(C)N;MVZAXZOCGODNOR-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70462;MM70462;C=NOC(C)OCCO;VGAUDTAIQPTYIY-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70463;MM70463;C#CC=NN=CNC(=N)N;HPWLOIMYIHLIKR-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70464;MM70464;OCC=CCN(O)C=NO;MJCOJHOMZLNIHA-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70465;MM70465;C=NN(C)CC(C)(C)CN;JSQAOIGNURVORC-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70466;MM70466;CC(=O)ON(C)C(=N)N;KAPUEOLTCZQWME-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70467;MM70467;CCN=C(C=CN)NN;SLISVOWRKPXJCH-UHFFFAOYSA-N;128.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70468;MM70468;CN=CNC=CC#N;RXCUZOVUJYRQEU-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70469;MM70469;C#CC(C)(C)NC(C)CN;WGEIDPNCDUCBHR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70470;MM70470;CN=CNN(C)C(C)(C)C;PJMRDEWZNKCLKT-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70471;MM70471;C#CCNC(C=CN)=NC;VCPKOIHMMMJUMY-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70472;MM70472;CNCCNCC(C)(C)F;FMEKMUSVNGIYLQ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70473;MM70473;CC=C(CC=NO)CNC;PXDUGQQUMYDVJR-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70474;MM70474;C#CC(O)C(C)(N)CC=C;MJUIIMCPOWYYTJ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70475;MM70475;C#CC(CN)C(C)(F)F;KFOYXBTUMBDADD-UHFFFAOYSA-N;133.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70476;MM70476;CN(C=NO)NC=CC#N;ZXHHIFSHRDTEOA-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70477;MM70477;CC(C)NC(=N)NCC#N;NFYAMROKWAKYBO-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70478;MM70478;C=C(F)C(O)C(C)N;JMJLFAVLWKUWRA-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70479;MM70479;C=NN=CON(C)C=NO;KWWGCYYUUSULSO-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70480;MM70480;CC(C=CF)N(N)C(N)=O;FJWWGMVLIALLEO-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70481;MM70481;C#CC=CCC(O)C=NO;WBBPJDWCWYQNLS-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70482;MM70482;C=C(C=NNCCO)CF;UIABULUMOAFIPT-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70483;MM70483;CCN(CC=O)C(=N)C#N;WMAWZBUPXVWHNV-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70484;MM70484;C=NOCC(F)CCO;LMCFYBFQFHHMOH-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70485;MM70485;CNN=CCC(=O)C=NO;GNLGUUPZJOXQMR-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70486;MM70486;C#CC(CN)C(C)(N)C#C;PGAFSIGYCQGALY-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70487;MM70487;C=CC(C)N(N)C(N)=O;GYVFSXSTBNFBBM-UHFFFAOYSA-N;129.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70488;MM70488;C#CC(C#CCO)C(C)N;DWVABPWQQAAAMZ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70489;MM70489;O=C(C=CF)NC=CCO;UKEDHDCTUGJLGX-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70490;MM70490;C=CC(CC)N(N)C(N)=O;RLWGMEYTACCEEI-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70491;MM70491;CC=CC(=O)NC=NNC;COJYSNUAJTZLBE-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70492;MM70492;CNN=CNC(=O)C=CN;LXODPDKKYLBBJU-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70493;MM70493;CNCC(C#CCO)CF;KEBNBWPHSHWXKF-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70494;MM70494;C=NOCC=O;YZKSSCPDPVJMFK-UHFFFAOYSA-N;87.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70495;MM70495;C=CNC(=N)C#CCO;YCINOMQEKSWBIL-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70496;MM70496;CNN=CNC(=O)C=NN;DYDHVSFDVOZFCS-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70497;MM70497;CC(=N)NOC(C#N)C#N;XSUVAMWVJSCETG-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70498;MM70498;CCOC=CNC(=N)CO;RAELWAUQASHEIC-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70499;MM70499;C#CC(C)C(N)C(C)(C)O;KSTBBEQJBWRQMN-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70500;MM70500;NC=CC(=O)NN=CCO;MYSYKVVGKJQCRZ-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70501;MM70501;NC=CC(=O)NN=CCF;TVLDWIQUIXLFIR-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70502;MM70502;O=C(C=CF)NN=CCO;GRWNJENNHLUTGC-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70503;MM70503;CNN=CCC(C)(N)CO;ZBEJKZGVVGTLAP-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70504;MM70504;C=NN=CCC(C)(N)CO;ZNTCSQIKFROKNA-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70505;MM70505;NN=CC(=O)NN=CCF;OKHDKISZJBFLPI-UHFFFAOYSA-N;146.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70506;MM70506;C=NNC(CC=O)=NNC;QSYZGHDSMBLFJB-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70507;MM70507;COC=COC(=O)C=CN;XJNSXJLVKGAKKF-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70508;MM70508;COC=C(CO)C(C)(C)N;FXAXYGUTFNFVNU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70509;MM70509;C=COC(C=O)=CNN=C;NVMWBUMRMOCKIQ-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70510;MM70510;C=C(C=NO)OC=NNC;RJDYXVOESDOYFO-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70511;MM70511;COC(C)(C)OC=CCN;PJYFKUWAQYNMAN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70512;MM70512;C#CC(C)(NC=N)C(=N)N;GIESWHWBZHELAE-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70513;MM70513;C=NNCC(=O)CCF;NENAGGIPBKMVSX-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70514;MM70514;O=C(C=NO)ON=CCF;DSUVYTXDMNAHSC-UHFFFAOYSA-N;148.09;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70515;MM70515;COC=NOC(=O)C=NO;JYXJLWRSBZQYIE-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70516;MM70516;N#CC=CNC(=O)C=CN;IMGJJLGYQFYZGE-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70517;MM70517;C=C(CO)C(=N)NCC#N;UYXHRWBBSJVBOT-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70518;MM70518;O=CC=CNC(=O)C=NO;ZYXNMPPZYSXISV-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70519;MM70519;C=C(C)CNCC(C)CO;LTXJDHCELKFFRO-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70520;MM70520;C=NN=CNC(=O)C=CN;IEWMMVQLGSBXGU-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70521;MM70521;CC#CCCNCCCO;XUZHWHIXUMOWLK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70522;MM70522;C=NN=CNC(=O)C=NN;QSLTZQDESSMOPG-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70523;MM70523;C#CCC(=NN)N(C)N=C;NLCGZBKPFULFKL-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70524;MM70524;CCN(C=NC)CC=O;COVUZOMXWMZUBC-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70525;MM70525;CCN=CN(C)CC=O;SRPFOANAKYQBRL-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70526;MM70526;N#CC=NNC(=O)C=CN;QNEXPZVTXWZTLW-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70527;MM70527;N#CC=NNC(=O)C=CF;MCGORPDEHRBEIM-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70528;MM70528;C#CC#CC(CN)CF;SZTCINYNJRKTED-UHFFFAOYSA-N;125.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70529;MM70529;C=CC=NNC(=N)C=NO;XPOXMPGEYXLGEM-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70530;MM70530;C=CC=NNC(=O)C=NO;APUJHBKHSGAKIB-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70531;MM70531;O=CC=NNC(=O)C=NO;HNGCIUMZGMXQCA-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70532;MM70532;NC=CC(=O)OC=CC=O;PQISLQCJUVWLJJ-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70533;MM70533;O=CC=COC(=O)C=NO;APKGFHHIKSVJPS-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70534;MM70534;C=NN=COC(=O)C=CN;BLZHAJNAMQHYPA-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70535;MM70535;N#CC=NOC(=O)C=CN;PYYHMBNKRHPIEQ-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70536;MM70536;N#CC=NOC(=O)C=NO;SKDVGIPVBDPPNU-UHFFFAOYSA-N;141.09;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70537;MM70537;CC(N)=NNC(C)CC=O;CFUOTKJYNAWHOA-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70538;MM70538;C#CC=CNC(=O)C=CN;NAODYYXREHQXTM-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70539;MM70539;N#CCC(=N)NNC=N;DKRWXKODCDEXQQ-UHFFFAOYSA-N;125.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70540;MM70540;C#CC=CNC(=O)C=NN;JCSSLFUQSNTUQU-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70541;MM70541;C#CC=CNC(=O)C=NO;WLBBVIKVVAQTGE-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70542;MM70542;C#CC=NNC(=O)C=CN;SVPGURFLCXOHLJ-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70543;MM70543;CN(C)C=NN(C)C(=N)N;MFCRSJAUUJQKGJ-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70544;MM70544;C#CC=NNC(=N)C=NO;CBCOLYOHGXTVEQ-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70545;MM70545;C#CC=NNC(=O)C=NO;KWHFERCOTDCPEI-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70546;MM70546;C=C(C)C(C)=NNC(=N)N;RHYMGNWEDYCNBE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70547;MM70547;C=NNCC(=C)C#N;QMZIWTMCXDEUKO-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70548;MM70548;C#CC=NOC(=O)C=NO;TULXSIUZDVMFAB-UHFFFAOYSA-N;140.1;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70549;MM70549;C=C(C)COC(=N)N(C)C;OQYBSJVDUFNFNB-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70550;MM70550;C#CCNC(=NN)N(C)N;FRIQZXLASNXTOW-UHFFFAOYSA-N;141.18;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70551;MM70551;CNC(=N)OCOC(=N)N;PNTGFQNOMGYNAV-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70552;MM70552;CCNC(=NN)NC=CF;OTQKUKRNMDBJRC-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70553;MM70553;N#CC=C(C#N)NNC=N;WLCIGNHVVYYASP-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70554;MM70554;CC#CC(=O)NN=CCO;ZJECHDOECQJZCX-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70555;MM70555;C=NNC(=N)C(=N)NCC;TUQRGCKSZNTNPM-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70556;MM70556;CC(=CCN)OC(=O)CF;UJGYLEIRJYECLU-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70557;MM70557;COC(=O)OC(C)=CCN;AZJDQFBXSCEIKA-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70558;MM70558;C=C(C#CC(=N)N)C(C)=O;DXXYGEDARWAJSQ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70559;MM70559;CC#CC(C=CNN)=NC;QAINHNAIVPIZED-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70560;MM70560;CCC(C#CCN)C=NO;MJUCMTQGWGEOFD-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01891;MM01891;CC#CC(=O)ON=CC#N;MFPFHZYTJUUKLE-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70561;MM70561;C=CC(=O)C=C(C)CNC;DJYWJIHFXLCANW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70562;MM70562;CNCC(C)=CC(=O)C#N;CFFGTNIFIDYAOL-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70563;MM70563;OCC#CCC(O)CCF;IITUODUVYMZPTJ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70564;MM70564;C=CC(C#CCCN)=NO;VHTIEHKJKYJIQY-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70565;MM70565;OCC#CCC(F)CCO;FNMYOCVNFFMVIK-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70566;MM70566;C#CC(=CC#N)NC(=N)N;KFBVMEXJOYKMKL-UHFFFAOYSA-N;134.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70567;MM70567;CNC(C=C(C)C)CCF;XBKSTEDJSGTDCC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70568;MM70568;N#CCNC(=O)NC(=N)N;LPMIJUZJBGRLIA-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70569;MM70569;N#CC#CCC(O)CCO;PWDLISBNECLHGX-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70570;MM70570;C=CC(=CC=NO)CNC;HJUWIWAZWSXGFT-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70571;MM70571;C=CNC=NCC(O)C#N;QTIIUHYKQCBCEU-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70572;MM70572;C#CC(CF)N(N)C(C)=O;PFASHVXGDRQVNC-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70573;MM70573;COCC(O)CC#CC=O;ZAWJHDPGKDUYMI-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70574;MM70574;C=NNC(CC#N)COC;AKIQSAAOJOKPGW-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70575;MM70575;C=NN(C=NC(C)=O)CC;MZZVVEWVSUILBL-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70576;MM70576;C#CC#CCC(O)CCO;DJPXBRIIZHADER-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70577;MM70577;C#CC(O)C(C#C)C(C)N;CXTCECXXTPNINM-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70578;MM70578;CNN=CC(C)(C#N)NC;SQHXWFQZHJQHHG-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70579;MM70579;C=C(COC)OC=CCN;XWDRQHDWAUJPBE-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70580;MM70580;C#CC(C)NN=CCCF;AQZMTSTTWCWJIE-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70581;MM70581;COCC(=O)OC=CCN;OVJKMTACSGMGCV-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70582;MM70582;C#CC(CN)C(F)F;VFQGEOVSYDTRAR-UHFFFAOYSA-N;119.11;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70583;MM70583;CON=CCC(=N)NC=N;CNWLUAJBMLSSIL-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70584;MM70584;CN(CC#CCF)NC=O;YWFMTYOFARACMB-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70585;MM70585;CC(CC#N)CC#CC#N;NYFQMSOTAAXLEB-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70586;MM70586;N#CCC(O)CC#CC=O;HZRCMYRLXGOUJV-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70587;MM70587;N#CC#CCC(O)CC#N;LZONYCKYOUMKNE-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70588;MM70588;CC(CC#CC=O)NC=O;USIQLOXMVMGCHM-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70589;MM70589;C=COC(=O)OC=CCN;XNJZFLYQOGWSJH-UHFFFAOYSA-N;143.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70590;MM70590;C=NN=CCC(=N)NC=N;JMGCUKHQOMSQKP-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70591;MM70591;C=COC(=C)C(O)C(C)N;ATXJVRJZNOWSEF-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70592;MM70592;C=C(CC#CCO)CCO;MAVVQOYMYRPSNA-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70593;MM70593;COCC(=O)CC#CCO;GVCNPRDQTXGSQB-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70594;MM70594;C=C(OC)C(O)C(C)N;NUEUQTOTQWKBDA-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70595;MM70595;CC(O)C(=N)NN=C(N)N;MHYMREAFICJWHM-UHFFFAOYSA-N;145.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70596;MM70596;CCOC(=O)CC#CCO;OGCKVRRCRRLNPN-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70597;MM70597;COCCOC(C)=CCN;NHEOCWANMWZOFT-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70598;MM70598;CCCOCC(O)CNC;NCSHIPUGTYNMGU-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70599;MM70599;C=NOCOC(C)=CCN;YUIWZCYLIGQSRN-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70600;MM70600;COC=CNC(=N)CO;HIQAIAMDUZRGMT-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70601;MM70601;CC(=N)NC(CO)=C(C)F;PCZNRFSVZDEWHX-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70602;MM70602;CNCCNC(C)=CC#N;VKOUMPRDACFPJA-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70603;MM70603;CON=C(C)OC=CCN;LLVFPHIPCLDZPR-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70604;MM70604;CONC(=O)CC#CC=O;AGEMDVRJJKRSHU-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70605;MM70605;C#CCC(N)C(F)=CCN;ALWUFFFBABSEPE-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70606;MM70606;CNNC(=O)NOC;CWAIPAHMBNXCKR-UHFFFAOYSA-N;119.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70607;MM70607;CNN(C=O)C(=N)N(C)C;CDDBVKMSMIOCSE-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70608;MM70608;N=C(NO)NC=CC=CF;AUUIAPXBWNEEGP-UHFFFAOYSA-N;145.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70609;MM70609;CN(C=NCC#N)OC=O;MCTZMTDMNOQGAC-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70610;MM70610;CN(O)C(=N)C(C)(C)C;BUXJHLGKOXATTB-UHFFFAOYSA-N;130.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70611;MM70611;C=NNC(=O)CC#CCO;DGSGYHNXAQZPJQ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70612;MM70612;C=C(CC#CCO)OC=O;BLLOUHHEBHNMRS-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70613;MM70613;CN(C)C(=N)OCC=CF;HXIPFAWYDVPENO-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70614;MM70614;C=COC(=O)CC#CCO;AONPLRHIUCOVPP-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70615;MM70615;COC=C(C)N(N)C(C)=N;PFDVBZYTQSNLDS-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70616;MM70616;CCC(=N)N(C)O;YUURXYKQHPPXQB-UHFFFAOYSA-N;102.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70617;MM70617;N#CC#CCC(=O)CC#N;BIOUSMAIIOPDCV-UHFFFAOYSA-N;132.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70618;MM70618;CNC(C)C(C)(CF)NC;YCZICXGQKAUGIT-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70619;MM70619;CC(C)C(=N)N(C)O;NEUMZNOCDUCUNU-UHFFFAOYSA-N;116.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70620;MM70620;C#CC(C=O)(CC)CNC;BFUBEFOISADHDP-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70621;MM70621;C=CC#CCC(=O)NC=O;LBWUKHXLGVOJGV-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70622;MM70622;C#CC#CCC(=N)NC=O;CTXSHECKCAURGN-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70623;MM70623;N=C(C=CCCF)NO;RXOPCVROWUEEEZ-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70624;MM70624;CCC(C=CF)(CN)NC;ZGZVZFHEUGUUMZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70625;MM70625;CC=CC(O)CC#CCO;WQBCKDXZUHUNOB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70626;MM70626;C=CC=C(F)CC(N)CO;CSFZOVJJRPGNAO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70627;MM70627;OCC#CCC(F)C=NO;ZTWZZPKJOYQPNQ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70628;MM70628;C=C(C=CN(N)C=N)OC;HWBUQWOPOVCMOI-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70629;MM70629;C#CC=C(F)CC(N)CO;FBNQJRZJHOUBOZ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70630;MM70630;C=C(CO)C(NC)C(C)C;PDOFOPTYGINWCP-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70631;MM70631;CCNC(=N)NN=CNO;FFXOBSBACMLVFD-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70632;MM70632;C=CN(C=C)C(=N)NN=C;PYFABWWNTLMLHA-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70633;MM70633;CNCCC(=O)CCC=O;YSXSIMVDVMTTGX-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70634;MM70634;CCNCC(C=O)C(C)F;IWTSPBTXVWUMIL-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70635;MM70635;ON=CN(O)CC#CCF;UANOSKBFIZUKPD-UHFFFAOYSA-N;146.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70636;MM70636;CCC(C#N)NC(=N)NC;QKCUZNZWDKHHFR-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70637;MM70637;CN(C=NO)CC#CC#N;GSDAWYMLSSEIPD-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70638;MM70638;CCCC(CNC)NC=O;NOMXGSMYGIUOQL-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70639;MM70639;CC=CC(CNC)C(N)=O;PZVSQGHYAQIHJM-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70640;MM70640;C=CC#CCN(O)C=NO;UKTIIHLPVUQOLT-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70641;MM70641;N#CC#CCN(O)C=NO;SOYOIBTXVMFPSV-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70642;MM70642;N=CNC(=O)C(CO)CO;JIYPZHLZNCSZRQ-UHFFFAOYSA-N;146.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70643;MM70643;C#CCN(O)C=NCC#N;QRVKZNMONXMXLB-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70644;MM70644;N#CC#CCC(=O)C=CN;XPDYMGQPACKMCQ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70645;MM70645;C=CC(CC(=C)C=O)NC;HFSLKRLOSHNXDF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70646;MM70646;COC(=NCC#N)NO;PSSGFAMKJRZTOD-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70647;MM70647;C=CC(=CN(N)C=N)CF;MIQJFXAVWWCQLL-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70648;MM70648;C=C(NC=O)N(C=O)NC;XPZHPNPVYPGHKE-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70649;MM70649;CCC(C)(CN)CC(N)=O;RTGOXJFJQKRUBV-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70650;MM70650;CC=C(CN)COC(C)=O;XLWVMIIWVSWHJX-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70651;MM70651;CCCNC(=N)NCC#N;IJYHRMHKRPRGRI-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70652;MM70652;COCC=CC(O)COC;ZQHROQOGEKDHIA-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70653;MM70653;C=NNC(=N)NCC(C)F;NVPGYLYYESTVNJ-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70654;MM70654;C#CCOC(=O)CCNC;OYLGWXMMRTYMHI-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70655;MM70655;CNCCC(=O)OC=CF;ZDBGXXUCJLCLBR-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70656;MM70656;C=C(CN)C(C)OCCF;JEFJNUVVRBTKTQ-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70657;MM70657;CCNCC(F)=C(C)CN;QZLSTWNEADJFTQ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70658;MM70658;CC(CN)=C(C)OCCF;FFYLFOKXVLOUBJ-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70659;MM70659;COC(CO)ON=CNO;BVAJNEAXRFKDJI-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70660;MM70660;N#CCNCC(F)C=O;MCPPDXNCSAUHPK-UHFFFAOYSA-N;130.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70661;MM70661;C=NOCC(F)C(C)O;IEUWQQVUBOWFDL-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70662;MM70662;CC(O)C(C#N)=CN(C)C;ZDOKAMZGFDMQMS-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70663;MM70663;COCOC(C)=C(C)CN;IGXSBVBEAYLNHB-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70664;MM70664;O=CCC=CC(O)CCF;KVWORUGZRYDTBW-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70665;MM70665;CN(C)C=C(C#N)CO;QHJNBEQJENMHCY-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70666;MM70666;CNC(=N)OCCCOC;FBRMSUAJECRRFO-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70667;MM70667;COCC(C)C=CNC=O;PBJKEFSGVFOWIP-UHFFFAOYSA-N;143.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70668;MM70668;CNC(=N)OCCCC#N;FVCSTDIYIQPHJQ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70669;MM70669;CNN=C(CO)C(C)(C)C;CNHOVQZQUKTQEE-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70670;MM70670;C=COC=CC(O)CCO;DCUKATICQCVJIS-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70671;MM70671;C=C(CN)OC=CCNC;ILLUCYXPTOYAQV-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70672;MM70672;CNC(C)C=COCC#N;JSFBNAMZMMRVMX-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70673;MM70673;N=CNNC=NN;SDMZXJDGIHJMBP-UHFFFAOYSA-N;101.11;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70674;MM70674;C=NNC(C)(CO)CC#N;QUKAYOXZKMJHNK-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70675;MM70675;C#CC(=O)C(OC)C(=N)N;FTNFOPDCMVORDI-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70676;MM70676;C#CC(=O)C=C(C)N=CN;XDGFRVUXMCFDIQ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70677;MM70677;CNCCNC=C(C)C#N;OVULHKHRJZZLDD-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70678;MM70678;N=CNC(C=NN)=CN;GSTJYXPEWVTLKR-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70679;MM70679;C=C(CN)C(COC)OC;TWUIOIDRLOMLGJ-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70680;MM70680;C=CN(N)C(C=CN)=NC;QARVMSUVFIJITA-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70681;MM70681;C=NNC=C(C=O)CO;LAJWFHWSGPIUSD-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70682;MM70682;CC=NNCC(=CF)CO;LGQLXLZRXBRKND-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70683;MM70683;C#CCC(OC)C(=N)NN;BGBJNYYYOJNOQX-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70684;MM70684;COC(C)(C)ON=CNO;JZTMHONOYGXIFD-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70685;MM70685;COC(CCF)=C(C)CN;NQVOWSPHELKBGU-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70686;MM70686;C#CC=CC(C#C)NC=N;SXJMXEWSVWUQJU-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70687;MM70687;C=NNC(C=O)CCF;ZOOJKRNPSSXOHD-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70688;MM70688;CC(N)=CC(=N)NC=CF;QCPKRIISHSIBBA-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70689;MM70689;COCCC(=CCN)OC;YAQKEVQBYQXIPE-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70690;MM70690;O=CCC(O)C=CCCF;NOMWGGNKHNDAKS-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70691;MM70691;CNCC=C(CNC)OC;GYYPYOIMCGWXFU-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70692;MM70692;CC(=CC#N)NN(C)C=N;QLIDSYSUTLHUJA-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70693;MM70693;CC(N)C(=CF)OC=NO;ZXLSHABRPSGLJX-UHFFFAOYSA-N;148.14;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70694;MM70694;N=CN(N)CC=NO;XCXZXZCEZPWXSU-UHFFFAOYSA-N;116.12;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70695;MM70695;C=C(C)C(C#N)CCNC;VFFAUVRJUIOGJM-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70696;MM70696;C#CC(=NCCN)N(C)C;RFQSAXMJZBZODI-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70697;MM70697;C=CC(C=C)=C(CN)CN;YJKLFIVXKAMKNF-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70698;MM70698;CNC(C)CC#CC=NO;TWDSTNIETGWFRT-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70699;MM70699;CN(C)C(=N)NC=O;ZJCYGCHNOFDJJE-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70700;MM70700;CON=CCCC=O;IHXNGIKRFACTMB-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70701;MM70701;C=CC(CN)NCCCF;LXSRPPNDYRIQKC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70702;MM70702;COC(CF)OC=CCN;LUTSQMFNUSBCFP-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70703;MM70703;C#CC(C#C)OC=CCN;CCPQOWGWRHOQOW-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70704;MM70704;CNCC=C(C)C(C)=NO;DKQKPPMEQABNAC-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70705;MM70705;NCC(=CC#CCF)CN;ZGQBFKDVEVUJSB-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70706;MM70706;C#CCC(N)C(=CC)CN;AHASWPWNDCSLQS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70707;MM70707;C#CC(C=NNC)C(C)=O;IHXPIDFVBDRUCX-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70708;MM70708;C=CCC=CC(O)CC=O;GFLPNMMUJBIXDI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70709;MM70709;N#CCC=CC(O)CC#N;FKQXTUHHJMIAIL-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70710;MM70710;CC#CC(C)=C(CN)CN;FUIPGIOVHNBWBP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70711;MM70711;NCC=COCOCCF;LPPJAZIWSDURRT-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70712;MM70712;C=NNC=CC(=O)OC;YAOMVCZPCZGZBA-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70713;MM70713;C=NOC(C)(C)OC=NN;FRHKGJLVZWOQAA-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70714;MM70714;O=CCC(O)C=NNC=O;ODUVIRLKQOZCKP-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70715;MM70715;N#CCC(O)C=NNC=O;MSEMNAZKNISLFW-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70716;MM70716;C=NNC(=O)CCNCC;GQIMLDLPPJLANG-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70717;MM70717;N#CCC(F)C=NNC=O;QRPZTROSQANNAW-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70718;MM70718;N#CCC(O)C=NOC=O;IRFGIQRAIMJYEF-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70719;MM70719;C#CC(O)C(NC)C(C)C;JWJFQHBMOSPIFZ-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70720;MM70720;C=NOCCOC=CCN;FZRSCDZNDJIKLM-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70721;MM70721;C=NNC(=N)C=NN=CC;ODTPAQSVIWKKMU-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70722;MM70722;C=NN=C(C)C(=N)NN=C;SPYKAGVBGCHVOP-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70723;MM70723;C=C(C#CC)N(O)C(=N)N;KPBYSRJQOXHDHD-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70724;MM70724;NN=CCNN=CCF;YDKYUEJLCOMQGX-UHFFFAOYSA-N;132.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70725;MM70725;C=NNC(C)(C)C#N;FQNUMOLVTIQVTF-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70726;MM70726;C#CCNC(=N)C#N;VCHJWUDHKJSYQN-UHFFFAOYSA-N;107.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70727;MM70727;CN(C=NNC=O)CC#N;FQNROYODZPKRIJ-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70728;MM70728;ON=C(NO)NO;WNDKEQQXNIPBRN-UHFFFAOYSA-N;107.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70729;MM70729;O=CCN(O)C=NNC=O;RWRRCGHPKNKOIS-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70730;MM70730;N#CCN(O)C=NNC=O;FJDAMIIATUPNLJ-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70731;MM70731;C=CC=NNC(C)=NO;DGMVFZGLUONDHW-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70732;MM70732;N#CCN(O)C=NOC=O;CIWZHDUGRNYVBC-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70733;MM70733;CN(O)C(C=CN)=NO;BHWSPYLUHJFPNA-UHFFFAOYSA-N;131.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70734;MM70734;CN(C=NNC=O)NC=O;IVXSWDMMDZPPPL-UHFFFAOYSA-N;144.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70735;MM70735;C=CC(C=C)=NO;BUWODWQXEVDHCY-UHFFFAOYSA-N;97.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70736;MM70736;C#CCC(F)(F)C(=N)N;SAMIHOHXZHUALF-UHFFFAOYSA-N;132.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70737;MM70737;C=NNCCCC(O)C#N;RDGMRTHOCRSKRB-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70738;MM70738;C=CCOCOC=CCN;SKKSRHVCMZLRTL-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70739;MM70739;CC=NOCOC=CCN;SSXQAGDRVHELMI-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70740;MM70740;C=C(F)C(O)CNN=CC;PJUNEDYUOLGPHZ-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70741;MM70741;CNN=CCOC=CCN;FSXTUMASIQEZLS-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70742;MM70742;CON=CCOC=CCN;YQHFDAVGUVTTJU-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70743;MM70743;CCON=COC=CCN;FSJNCNFAUQXUKS-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70744;MM70744;C=C(CN)COC;CXEXSZSLNCRCLC-UHFFFAOYSA-N;101.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70745;MM70745;CN=CN(C)NC;ZZQPBXXWSGWWHG-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70746;MM70746;COC=C(C)CN;IQKSTQJKSUJPSA-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70747;MM70747;CCC(N)(CN)CN;BRAJXWGTZHCUJA-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70748;MM70748;CN(C)N=CCC(=O)C=O;DEWJOLGPBDFYEK-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70749;MM70749;C=CCCNCC(O)CF;HCAKWZSZUIIXRP-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70750;MM70750;C=C(CN)COCC;HHZNSCDSYVKLBK-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70751;MM70751;C#CCC(O)C=COC=O;XIRGMUUSBVVENY-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70752;MM70752;C#CCC(O)C=NOC=O;SNSIVLTWOYNNMN-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70753;MM70753;CN(C)C=NCC#CCO;XPLHWQPUTWJYST-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70754;MM70754;C=C(OCCNC)C(C)O;NSNBQYCKXGKTMZ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70755;MM70755;C=NNCC=C(F)CO;ZIRBWDMGZXDHFF-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70756;MM70756;C#CC#CCNC(=N)CO;VOAZREJSPNXJGF-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70757;MM70757;C#CCN(O)C=NNC=O;YUHXEBLBPOZJLL-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70758;MM70758;C=COCC(=C)CN;RTKHZAWQYXAUPG-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70759;MM70759;C=C(CO)OCCNC;JYMKHWUOULXACU-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70760;MM70760;C=NOCC(=C)CN;TWBBICACJWEYIZ-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70761;MM70761;C#CC(=N)NNC=N;JHVSQFKCGWKCLK-UHFFFAOYSA-N;110.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70762;MM70762;C=CC(O)CNCCCF;LMROFCVPNMVQBM-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70763;MM70763;CC(=COC=O)CN;BCPONOCKLXLOJO-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70764;MM70764;CN(C)C(=N)C(C#N)CO;ZYAANJNUDBPODK-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70765;MM70765;C=NOCC(C)(F)CO;HBBZCINAUJZCEE-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70766;MM70766;CC(N)(C=C(F)F)CN;MBZSXSBKFBAYPQ-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70767;MM70767;C#CCN=C(CO)NN=C;FZBLMMLZBQWRBA-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70768;MM70768;CNN(C=N)C(C)(C)C;GMBXLJMCFWWSQA-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70769;MM70769;CCOC=CC(=O)CCO;SPQHLBGWOWLOID-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70770;MM70770;CNCC(C)(C)OC=O;RPAIUGCCWUCUIS-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70771;MM70771;C#CC=CNC(=N)N(C)O;POWYBNIARCIFEP-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70772;MM70772;CC(C)OC(=N)N(C)C;AXMRMLXMIFXWHC-UHFFFAOYSA-N;130.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70773;MM70773;COCC=CC(=O)NOC;HUUDHSRGTYVPEQ-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70774;MM70774;CCCC(N)(CN)CN;UNPHYRFBFJSUSM-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70775;MM70775;C#CCC(CO)ON=CC;MJSNGAMIEPKIAD-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70776;MM70776;N#CCC=CC(=O)CCO;HGJIJGOCYZMTRM-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70777;MM70777;OCCCC=NOCCO;DRODHRIXVDKSRA-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70778;MM70778;C=C(CN)COC(C)=O;BPBBULPNLITEFX-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70779;MM70779;CC(=O)OC=C(C)CN;ZOMBZVQKESMYAY-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70780;MM70780;C=COC=CC(=O)CCO;LXGFBETZZHXLMV-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70781;MM70781;O=COC=CC(=O)CCF;OIZIVMZBFPTYLK-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70782;MM70782;C=CCN(C)NC=NC;DUFPBPOLESSSKC-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70783;MM70783;COCC(=O)C=NNC=O;FJHPHUCFSYFISC-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70784;MM70784;C#CCOCC(=C)CN;PVUFNYLFBUTBOY-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70785;MM70785;C=C(CN)COC=CF;WJTBMIOQFBZKAC-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70786;MM70786;C#CC(C=NN)=CC(C)O;SQLJXEZDVGLNOA-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70787;MM70787;C=C(CN)CON=CC;XLFZROWFJWRVNL-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70788;MM70788;CONC(=O)C=CCC=O;CKDZSWOTARWEPT-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70789;MM70789;CCNC(=O)C=COC=O;XAUYFCFVZOQPGD-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70790;MM70790;CC1CC1(N)CO;KICGUQSOUHXMJR-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70791;MM70791;CC#CC(N)C(C)NC;ICHABBOKTQRJQQ-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70792;MM70792;CC(C)=NNCC(=O)C=O;FYUMVRWGHUOIDQ-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70793;MM70793;C=CC=C(NC=N)OC;BDUJQMUOTMOLDR-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70794;MM70794;C=C(C)C(CN)=C(C)C;SXURFWZQJDAAPR-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70795;MM70795;C=NNCC(=O)C(C)F;JLHSAPWRLBLKJU-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70796;MM70796;C=CN=CNC(=O)OCC;VZPXOTOBACMYMR-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70797;MM70797;C=CC(C)=C(CN)CN;VJRFFHVHDBPJGI-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70798;MM70798;C#CCC=CC(=O)NOC;PVLLGDMBXQBAPI-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70799;MM70799;N#CCC(=O)C=CCCO;STZPGOWDZUYBJG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70800;MM70800;C=C(C#CCCO)C=NN;HYZMAMFNHBNMKU-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70801;MM70801;C#CC(C#C)=C(C)CN;LNHTYLFLNHEINS-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70802;MM70802;C=C(C=CCCO)NC=O;HUJCPYUIFVZZHR-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70803;MM70803;CN=CNC(CF)CF;HPIVNUGMMLDTEN-UHFFFAOYSA-N;136.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70804;MM70804;CC(C)CC(N)(CN)CN;DLDBQXMSVOIRNA-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70805;MM70805;CC(C)N(N)C(N)=O;WBZFJGUZWNKHOS-UHFFFAOYSA-N;117.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70806;MM70806;C#CC(F)C(C)(N)C(C)N;UGUGESPMMXYXMS-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70807;MM70807;C=CNC(=O)C=CCOC;PCNRBEJPFWXDJX-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70808;MM70808;C=COCC(=O)N(N)CC;OHDIAIAMYHVLSC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70809;MM70809;C=CC=CN(N)C(=N)NO;YQSLWYHABBTBQH-UHFFFAOYSA-N;142.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70810;MM70810;C=C(C)CN(C)NC=NC;YOYSWQCVWWFPCC-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70811;MM70811;CCOC=CC(=O)NC=O;DNFLCDJNYWICMX-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70812;MM70812;C#CC(C)(C)NNC=NC;SPWCBVSEFXQKRB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70813;MM70813;CC=C(NC=N)OCCO;FVVYFCVNQWZMCI-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70814;MM70814;CCNN=CC(=O)NC=O;WWYZTZQQVIWFLC-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70815;MM70815;C=COC(=C)CC(N)CO;BKDXHJBRHOVLIN-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70816;MM70816;C#CCC(C)(C#C)NC=N;UDYXJLCAYPOUJO-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70817;MM70817;C=C(C)CC(N)C(N)CF;BXDVYIWHEKNIIL-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70818;MM70818;CC(CO)NC(=N)C=CF;USUJGSDGGUOQGV-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70819;MM70819;CNCCNCC=C(C)F;YOWGHBYLWIMKNN-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15780;MM15780;N#CCC=CC(=O)CC#N;UMVVKSVLYJUXLE-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70820;MM70820;CNCCOC(C)=CCO;RBFZICJTSJUMGE-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70821;MM70821;C=CCC(=O)C=CNC=O;NITGAWWPPUIUFU-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70822;MM70822;CNN=CC(C)OCC=O;XMBKVQDQUVTIDA-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15767;MM15767;N#CCC(=O)C=COC=O;USNIAOWXQSQTQR-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70823;MM70823;CCCN(N)C(=O)COC;YSSDKNUXSFJQMP-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70824;MM70824;N#CCC(=O)C=NNC=O;XZUGCYVFFYLRMQ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15913;MM15913;N#CCC(=O)C=NOC=O;VFBJRDSCCRQMPP-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70825;MM70825;CC(C)N(C)CCCO;DYJKSXIIFQGFAJ-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70826;MM70826;C=C(C=CCC#N)NC=O;XZZKWWPTCLKGMF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70827;MM70827;CN(CCN)CCC=CF;FAPUAQSRVQCBLO-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70828;MM70828;CCNN(C)C(=N)COC;AFJYBVBKSGXWHJ-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70829;MM70829;C=C(CCO)CNC(C)C;TXIVSLOKRGZOQZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70830;MM70830;COC=NN(C)C(C)=NN;OBUPQZAZIROGME-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70831;MM70831;C=NNC(=O)C=CCC#N;SKABGRJFJYQEJY-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70832;MM70832;C=CNC(=O)C=CNC=O;GRZBTCQSYYGTFU-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70833;MM70833;N#CC(=N)NCC#CCF;BWFGUTVOASCTAI-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70834;MM70834;CC#CCNC(=N)C#N;MARLFXGGRUAUEQ-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70835;MM70835;C=NNCC(C)(F)C=O;XLQMABGFPLDDQR-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70836;MM70836;CCN(O)C(C=CN)=NO;QUPUOLSWFBWMEG-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70837;MM70837;C=C(C)C(=O)NC=NC;GMBVHPVDTWKLBV-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70838;MM70838;C=NNC(C=O)C(N)=O;RZXGNXBBNHJZJF-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70839;MM70839;C=C(COC)C(=N)NC=N;WOHBXBVQTYMDDU-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70840;MM70840;C=C(C=COC=O)NC=O;NGGRIMXGPPQURB-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70841;MM70841;C=CNC(=O)C=COC=O;ICGYODIHOIQXOV-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70842;MM70842;C=COC=CC(=O)NC=O;FOZOSMZVZYECNT-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70843;MM70843;CNCCOC=CCCO;WJNZEBWYSJALSM-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70844;MM70844;C=NNC(=O)C=COC=O;JQKCFGMWBIPVSH-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70845;MM70845;CNCC(C)(CC=O)OC;HYQIGDQRYVJXMD-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70846;MM70846;CNCC(NC=O)C(C)C;CCJPOFCBTKNCLN-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70847;MM70847;CC=NNC(C=O)C(N)=O;UUFWJAODOJPBMH-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70848;MM70848;N=C(C=NNC=O)NC=O;GPOVSQFBMPZTMK-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70849;MM70849;C=C(CCO)CCN(C)C;DPIANZHVPYDUDB-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70850;MM70850;CNC(CC=O)CC(C)F;RJMQQDGPOSTGJZ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70851;MM70851;N=C(C=NOC=O)NC=O;KWOGXGLSLRHXNE-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70852;MM70852;C=NNC(=O)C=NOC=O;KVCHFYIYPFOOKR-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70853;MM70853;CCC(CN)=C(F)C(C)N;YFAASEVWSGWMEU-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70854;MM70854;C=COC(=O)C=CNC=O;PJBPWMSHAPIGSE-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70855;MM70855;C#CC(C#N)ONC(C)=N;KLCWERKLEQATIQ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70856;MM70856;CCOC(=NCC#N)NO;SAXIUMZHYOTJRR-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70857;MM70857;C=C(C)C(C)=C(CN)CN;CJEQHSZZBFURBY-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70858;MM70858;C#CC(C)(O)C(C=C)=NN;QOVSLUMXIKYMIX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70859;MM70859;CNNC(=O)N(C)N;VGWSSNDPPOUDIA-UHFFFAOYSA-N;118.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70860;MM70860;C=COC(=O)C=NNC=O;WMWGKHUIESXJCH-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70861;MM70861;C=CC(O)(C=NN)COC;SKGQQXPQKQKEQB-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70862;MM70862;C=NOC(=O)C=NNC=O;NYXSNDNNHDRFFD-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70863;MM70863;COC=NNC(=N)C(=N)N;PVJRZPWNPOCRGG-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70864;MM70864;C=CN=CNC(=O)CC=O;KGWXXUBFZDCLKU-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70865;MM70865;CNC(C)(C)CC(=O)C=O;JKMRLDQQPJYIOD-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70866;MM70866;C=CN=CNC(=O)NN=C;DSSCBTWGLNCVIP-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70867;MM70867;C#CCNC(=N)CC(C)=O;CJWCGRDJCYWWNT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70868;MM70868;C=C(OC)C(O)C=NN;IJYUWTYMQOBOET-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70869;MM70869;C#CCC=CC(=O)NC=O;GLEWJYMNZNXZFO-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70870;MM70870;C=CC(NNC=O)C(C)C;BJXWFDBZBFTYPA-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70871;MM70871;C=NOC(OC)C(C)O;CQGAMMZHPZVKIH-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15915;MM15915;C#CCC(=O)C=NOC=O;FZDPHEFVASOAKH-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70872;MM70872;C#CCC(=O)NC=NC=C;HFJIDOVHGKXEEZ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70873;MM70873;C=NNCCC(N)C(=C)C;XBNDIORXNLTVTM-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70874;MM70874;CC=NN=CC(O)CCO;FZKRHUOAKLGYJK-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70875;MM70875;C=COC(C)C(=N)N(C)N;AQGHUZDUXKPVHY-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70876;MM70876;CCNC(CNC)COC;SXOGSUFQWFJPOK-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70877;MM70877;C=NOC(CO)OCC;OUNIAYACJALVEP-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70878;MM70878;CCCN(O)C=NC=NO;GIWJQTXETUBNBB-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70879;MM70879;CNN=CC(O)C=COC;YECDMNFUVWNLAX-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70880;MM70880;C#CC(N)C(C)(CC)CN;XGVWAFHYBZIVQW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70881;MM70881;CC=NNC=CC(=O)CO;BIIZSTJKQCPUTA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70882;MM70882;CC=NOC(C)(CO)CO;BRRQUSUCKJQOHP-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70883;MM70883;CCON(C)C=NC=NO;FKPDOJTZXOGPOY-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70884;MM70884;CCCCC(N)(CN)CN;DHVAMNDQVHCBDM-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70885;MM70885;COC(=N)NN=C(N)N;GQIGECWXUXUYCY-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70886;MM70886;CNCC=C(C)CC(C)O;ZMDDJUICBWWIKD-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70887;MM70887;CN(C=CC=NO)CC#N;VTWOXRCCNGGFAB-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70888;MM70888;C=CCCC(N)(CN)CN;WXXQJWGTPJZDSP-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70889;MM70889;CN(C=NC=NO)CC#N;ACKHQCDGHSDKCR-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70890;MM70890;N#CCN(O)C=NC=NO;WLBNPGROXQZCJA-UHFFFAOYSA-N;142.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70891;MM70891;C=C(CN)COC(C)OC;ZNJVLALTTLEUEY-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70892;MM70892;CC=NN=CN(O)CC#N;AZCMJJDUVSLLPE-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70893;MM70893;C#CC(C)(CO)ON=C;VLYCEAWDXODZMR-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70894;MM70894;C#CC(C)OCC(=C)CN;SZDAOPDOYMEVMC-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70895;MM70895;CN(CC#N)N=CC=NO;GQOWMEKGKYMVKD-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70896;MM70896;C=NOC(C#CC)CO;QPUWVMVRWHHYGM-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70897;MM70897;CCN(C)N=C(C)C(C)O;QTSBSLBCAXSIKE-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70898;MM70898;C#CCN(C)C=NC=NO;IDKXUVZVSXFJDL-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70899;MM70899;C=C(CN)COC(=O)CC;FTSKQCIRUYYUCT-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70900;MM70900;CNN=COCC(C)(C)N;XHJKIQZCXOXUHY-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70901;MM70901;C#CCN(N)C=NC=NO;HHEALQJSYBCNDJ-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70902;MM70902;C=NNCC(=O)C=O;UVZRAFZZCGFNOO-UHFFFAOYSA-N;114.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70903;MM70903;C#CC(CC)NN=CCO;YNMJRZXIJJWAPX-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70904;MM70904;C#CCN(O)C=NC=NO;FYJLCMBJIFMXIO-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70905;MM70905;C#CC(=O)OCC(=C)CN;CLFJRBXPCIREAQ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70906;MM70906;CNC(CCF)CC(C)=O;IQDGRDZIUWRWTH-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70907;MM70907;C#CCN(C)N=CC=NO;ZMAYWKSDFYZNPF-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70908;MM70908;O=C(C=CC=CF)CCO;WSOJIQWEZNJHHD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70909;MM70909;O=C(C=CC=NO)CCO;JDRXJQHVZDHRLH-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70910;MM70910;CC(=COC(=O)CF)CN;IRLUEIHYDCUWNA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70911;MM70911;C#CC(=O)OC=C(C)CN;JSOOPGNGLURHQK-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70912;MM70912;C#CC(=N)NC(=CC)CN;XBGXNCZHVHQFGH-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70913;MM70913;CCC(=CC(=N)NN)OC;KVTWUPMQGWHBOM-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70914;MM70914;C=NOC(OC)C(=C)CO;HIDBIOLVNVURIJ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70915;MM70915;C=CC(OCCO)ON=C;LYKAWZDHDDHEFG-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70916;MM70916;CNN=C(C=O)N=CNO;OTQIJBMJEHRIAD-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70917;MM70917;C=C(CN)C(=C)C(=O)OC;NMNMQMLNAWFAHE-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70918;MM70918;CC=NN=CC(=N)NC=O;RPVFDSKJRQZXGP-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70919;MM70919;CCNC(=O)N(N)C(C)C;CRUZNVSXQFGCHS-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70920;MM70920;CC=NN=CC(=O)NC=O;WUNSADLJFXPFKI-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70921;MM70921;C=NOC(C=CCO)OC;PCTNKXKGIRQIER-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70922;MM70922;C=CNC=NC=CC(C)=O;JCOOKDVUPXAMRU-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70923;MM70923;C=COCOCC(=C)CN;YTMUTQQLDOYXGI-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70924;MM70924;C#CCC(C)N(N)C(N)=O;LZSWPQWSLOHYGW-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70925;MM70925;C=NN=COCC(=C)CN;UDJVDJQYCPBWRQ-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70926;MM70926;C=COC=CCN(N)C=N;BUQVZCMFNNBDMB-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70927;MM70927;CON=CCCNC=O;AJWNFSRIMZRJJM-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70928;MM70928;CCC(C)N(N)C(N)=O;WQJQNDCDVWKEOG-UHFFFAOYSA-N;131.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70929;MM70929;CN=C(N)C(=O)C(C)=O;WFEJZZLEYUMWAI-UHFFFAOYSA-N;128.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70930;MM70930;C=CC(=NNC)C(=N)NC;MGHHSRKDQNEJCY-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70931;MM70931;COCC#CCC(=N)NN;ZQFYJFDPDUODRK-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70932;MM70932;CCN(N)C(=O)CF;DTZILCKLVKSNDO-UHFFFAOYSA-N;120.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70933;MM70933;COC(=CC#N)NNC=N;UOHDOMXHYDPDBI-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70934;MM70934;CC=NOCC(C)=O;AQHWJLSFIDVKDJ-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70935;MM70935;C=NN(C)C(CC#N)=NC;NWVVWCRGEUYPDL-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70936;MM70936;CCN(C=NNC)OC=O;ZHXWWSXUZVKBNR-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70937;MM70937;C=CC(=NN)OC;QKOMCOZDOCSXFZ-UHFFFAOYSA-N;100.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70938;MM70938;C=CC(=O)ONC(=N)NC;UGJOHDOQRUBZNC-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70939;MM70939;CCOC=CN(O)C=NO;QCFIPOPDRFHUNR-UHFFFAOYSA-N;146.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70940;MM70940;CC=NNCCC#N;ILLSCQWNSZMADV-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70941;MM70941;C=NNC(=N)C=NOCC;GTUROGPFEDIHQG-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70942;MM70942;CC(C#N)(CC#N)C(=N)N;AUHBRDHLYJIJRB-UHFFFAOYSA-N;136.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70943;MM70943;C=NNC(=N)C(C)=NOC;KAZNMNKPECJTFQ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70944;MM70944;CCON=CN(C)C=NO;IONCRGQSHQDEGM-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70945;MM70945;CCC=NNC(N)=CC=O;QKWUKWXYNVLHFI-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70946;MM70946;C=NNCC(=O)ON=C;FYQLGRODKFIEJZ-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70947;MM70947;N#CC(=N)NCC#CC=O;KWISCAGWYZKVIH-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70948;MM70948;COC(C#CCN)=CCN;CAJFQSXLYKMDJI-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70949;MM70949;C=CC#CCNC(=N)C#N;OTVXVFZCNKOOCJ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70950;MM70950;COCC=NN(C)C=NO;YLAFCFJJMHLDPB-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70951;MM70951;CCOC=NN(C)C=NO;QMSYCIWMLFKDCA-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70952;MM70952;C#CC(C)NN=CCOC;QYZQMHZXFAHMBC-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70953;MM70953;C#CC(NCCN)C(C)C;FMKJMTYBYGDQFQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70954;MM70954;O=CNC=CC(F)C=NO;STKCYYVCZBPBIX-UHFFFAOYSA-N;146.12;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70955;MM70955;C=NN(C=NO)CC;CACMNGIBJGMZCS-UHFFFAOYSA-N;115.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70956;MM70956;C#CC(O)(C=O)CNN=C;GXRYQLPCWHDCNN-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70957;MM70957;O=CON=CC(F)C=NO;MLJKPNFNHAFFEA-UHFFFAOYSA-N;148.09;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70958;MM70958;CNCC(=N)NC=CC#N;JLDNLAUYEACKFA-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70959;MM70959;C=CN=C(NN)C(C)=CN;UFFWCKDMSXUDPG-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70960;MM70960;N=CNNC(=N)C(=N)NN;TXLBCOSSSDZXBP-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70961;MM70961;C=CC#CC(=O)NC=N;MCKSUSUHGIIEOF-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70962;MM70962;C=CC#CC(C=NO)CN;DYTGBWXTVDNQSO-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70963;MM70963;CC=CC#CC(=O)NC=N;NOEOXRZQUXVUIB-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70964;MM70964;C#CC(C=CCN)C=NO;ZHORYGZHMROLPI-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70965;MM70965;CCN(O)C(=NO)NO;GYZSQFKUJKXVAE-UHFFFAOYSA-N;135.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70966;MM70966;CC=CN(C)C=NNC=O;MDXOLUDDQWRVIM-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70967;MM70967;C=NNCC(O)(C#N)CC;AANKDSGNIQCDKK-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70968;MM70968;C=C(C=NNC)C(=O)NN;JAQGHGPZPRNLAK-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70969;MM70969;C#CC=C(C)C(O)C=NN;PMCBCNDDZJFQMG-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70970;MM70970;CC=NN(C)C=NNC=O;WEAODDROZKAMGA-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70971;MM70971;CC=C(OCCN)C(C)N;DIXGOQYEUMYXHY-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70972;MM70972;CON=CCC(C)(O)CO;VBJILMJZSDBQCJ-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70973;MM70973;C=NOC=NN(C)C=NO;BHBAJTCWXORPMR-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70974;MM70974;C#CC(=O)NC(=N)C(=N)N;QTEMEIGUCFYLII-UHFFFAOYSA-N;138.13;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70975;MM70975;C=CC(CC)=C(CN)CN;HUYHSAAHFOXSEE-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70976;MM70976;C=NOCC#CC(C)O;ZSPPSHIKZAUINV-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70977;MM70977;CC(CC(F)CO)=NN;VAKTURUYKAZHND-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70978;MM70978;CC=NOCC(CO)=NN;XKNLLPAHTCFVQW-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70979;MM70979;C#CCN=CN(O)C=NO;PFBLORSNCRPQFP-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70980;MM70980;CNC(=NCCCN)OC;KEBUNDYSNNXSFC-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70981;MM70981;C#CCC=NN(C)C=NO;BKNUHBKIKGLVEA-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70982;MM70982;COCC=CC(=O)C=CN;QRYPWUNYZTWUFI-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70983;MM70983;O=C(C=CCCO)C=NO;SOTYKCOTQXTHOG-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70984;MM70984;C=CC(NC)C(=C)CNC;DIPZJQJOBJYCQB-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70985;MM70985;C=NOC(=NC)N(C)O;ANXJPMVFVDCRJI-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70986;MM70986;C=C(C=NO)C=NNCC;AYRBQSKLXFOMNS-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70987;MM70987;N#CCC=CC(=O)C=CN;KBUYCSAXNBGAPG-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70988;MM70988;O=CCC=CC(=O)C=NO;IFTSMQPLZREILA-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70989;MM70989;C=NNC=CC(=O)C=NO;LIEZTVOEVFIDJB-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70990;MM70990;NC=CC(=O)C=COC=O;DIJQUYUKAVCAMC-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70991;MM70991;C=COC=CC(=O)C=NO;ZZMUSXMKPSEFHY-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70992;MM70992;NC=CC(=O)C=NNC=O;HGEIMBYXCWFNOY-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70993;MM70993;C=CC(CO)=NNCC=O;DSPISPGGUDMUDH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70994;MM70994;CC=CC(C)=C(CN)CN;NJENXOAIZQQZTO-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70995;MM70995;CNCC(C)C#CC=NO;MPTMKLHUCDSPFM-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70996;MM70996;NN=CC(O)C=CC=NO;FUUUNUVEECZWPJ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70997;MM70997;CNC(=N)OC;UOHWZDYCLDKUFF-UHFFFAOYSA-N;88.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70998;MM70998;CON=CCC(CO)OC;LNJWVRHSEUHODX-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM70999;MM70999;CC=NNC=C(C=O)CO;KRQOJALZMQURLS-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71000;MM71000;NN=CC=CN(O)C=NO;BANNESOFECBADQ-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71001;MM71001;CC(=NN)C(C)OCCO;WVGYOZFLYHRGNM-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71002;MM71002;CC=NOCC(=O)NC;DLGPUWNQFCUMCD-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71003;MM71003;C=CC(C=NOC)CO;RWNCXPVVGSSAPI-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71004;MM71004;CC(N)CC#CC=NO;SLDPOERFDOTIIR-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71005;MM71005;CC(N)C1CN1;IKCAHAMVJALSNW-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71006;MM71006;C=C(C=NO)C(=C)CNC;RUSPKZFDEUDUNV-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71007;MM71007;C=NNC(C=O)C(C)F;YTJODLPUZWJIAQ-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71008;MM71008;NN=CN(O)C=NC=NO;NGBKJISPDDSWGK-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71009;MM71009;CN=CN=CN(O)C=NO;FICRNBGLUOQZNM-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71010;MM71010;CNN=CC(CC=O)OC;AUQGKCYLCANULM-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71011;MM71011;C#CCNN=C(C)CC=O;HWAOMWRVDSPIGO-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71012;MM71012;C#CCCN(N)C(=O)CF;GJCMFJRWFGOPKE-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71013;MM71013;CC=NN(C)C=NC=NO;JOQSIZAKALUIDT-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71014;MM71014;COC=NNC(=N)C=NN;BFJNMNVEHRCZIV-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71015;MM71015;O=C(C=CC=NO)C=NO;SWHPZRSRHVJUHA-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71016;MM71016;C=NNC=C(C=O)OC;GFSMBZBVZBFSNK-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71017;MM71017;C=NN(C=N)C=NNC;ZDCQMQZRGZBNAX-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71018;MM71018;CNN=CN(C)C(=N)C#N;RGHJONKXRAZDSE-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71019;MM71019;CNCC=CC=NO;XTPJYYPDTHJUSI-UHFFFAOYSA-N;114.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71020;MM71020;C#CC(N)=NOC(C)=O;JFOPZQMGJDWPQD-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71021;MM71021;CC#CC(O)C=NNC=O;WZOZMWPOWOLMMO-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71022;MM71022;C=C(CN)C(=C)CF;LJNUSCJMCOQXKS-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71023;MM71023;C=NNCC(C#N)OCC;VZJUCBPLCMJTLL-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71024;MM71024;CC#CC(O)C=CC=NO;JBVVVJNYMVNBBI-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71025;MM71025;OCCC#CC(F)CCO;USCBUSDKLGOBHC-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71026;MM71026;N#CCN=CNNC=N;GEHWNWRUYHNARY-UHFFFAOYSA-N;125.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71027;MM71027;C#CC(C=C)NC=N;LEYSJEYRPRCUCD-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71028;MM71028;C=NNCC(C)(C#N)OC;JHMJXGANANDHGP-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71029;MM71029;CC=C(C=CF)CN;KXGMZWHTCURRKD-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71030;MM71030;COCC#CC(O)COC;MBGQPXGHDFTZSB-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71031;MM71031;C=CCC#CC(O)CCO;QOUYNRHFOMQANR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71032;MM71032;CNN=CC(F)=C(N)C#N;OOUZQBPXPXPTQP-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71033;MM71033;COCC(O)C#CCC=O;WIVKGGQMJFYNSN-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71034;MM71034;C=CC(=CCF)CN;QQDNQIBIMARWMU-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71035;MM71035;CN(C=N)C(=O)CC=CF;WTFKQYKVPMDGKO-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71036;MM71036;C#CCC#CC(O)CCO;HYNUTLYQIDHHKX-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71037;MM71037;CC(C)=C(CN)CN;SPWOKCRVOMDSAA-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71038;MM71038;N#CC#CCNC(=N)C#N;JCICZILTKVCKPR-UHFFFAOYSA-N;132.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71039;MM71039;C#CC(N)C(C)(N)CC;YQTUDAWTRXYLBU-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71040;MM71040;CC(C)C#CC(O)C(=N)N;IHASRKMEDPWJQX-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71041;MM71041;C=CCC(O)C#CCCO;KYZAJODZVAPSEO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71042;MM71042;CC=C(C=O)N=C(C)N;SPAJTEZRFPVGEQ-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71043;MM71043;C=C(C)C=C(CN)CN;KULBONRWJJVAOL-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71044;MM71044;COCC#CC(O)CC=O;QDSSOMVBIYTNEP-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71045;MM71045;COCC#CC(O)CC#N;MALKURGKRINRNC-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71046;MM71046;C=CCCN(C)CCN;SSBROZNWBJNCDW-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15493;MM15493;CC(C#CCC#N)CC#N;DEHLTIDZSYQXOI-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71047;MM71047;O=CCC#CC(O)CC=O;JCSONVYMDIHPMP-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71048;MM71048;N#CCC(O)C#CCC=O;WROWYLHJPLEPCO-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71049;MM71049;N#CCC#CC(O)CC#N;MKOXDOKKMWYNMB-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15953;MM15953;N#CCC#CC(F)CC#N;XXGITZKIQXTYLS-UHFFFAOYSA-N;136.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71050;MM71050;CC(C#CCC=O)NC=O;JRKHYTDHHSVIJA-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71051;MM71051;CC(C#CCC#N)NC=O;BPUDZPYYWOSJEH-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71052;MM71052;CC(CN)=C(F)C(C)N;YOHZBEPNKRWVJS-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71053;MM71053;C#CC#CCNC(=N)C#N;FOJYSBLTJWUPTK-UHFFFAOYSA-N;131.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71054;MM71054;CN(C)C(=N)OCCF;FSVMBBRRAQXOPS-UHFFFAOYSA-N;134.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71055;MM71055;C=NN(C)C(C)=NO;VTNAPHUKINQBND-UHFFFAOYSA-N;115.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71056;MM71056;C=C(C)C#CC(=O)NC=N;DSVAGVDMDAGCIH-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71057;MM71057;C=C(C#CCCO)CCO;BAQQWUALJACUHU-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71058;MM71058;O=C(C#CCCO)CCF;IVBFUJOMOZQDOZ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71059;MM71059;CN=CNN(C)C(C)C;LGKVOOZCVMDITN-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71060;MM71060;N=CNC(=O)C#CC=CF;MGRNMHLBHYFHKC-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71061;MM71061;COCC#CC(=O)CCO;ZXKNBLSNKAVZAJ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71062;MM71062;C#CC#CCC(N)CN;LSONACLOFYZPHY-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71063;MM71063;C=CC(C)(C)C(=O)NC=N;XQCGXBMASWDPAB-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71064;MM71064;N#CC(C#N)N(O)C(=N)N;ZIXAALZELQOUJC-UHFFFAOYSA-N;139.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71065;MM71065;CCC(N)C(F)=CCN;FCLKWBHMILFTGE-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71066;MM71066;C#CCN=CNN=CC#N;PVUCVXYFGHIEMD-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71067;MM71067;COCC(=O)C#CCCO;ASOGNYOOPZHHNA-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71068;MM71068;CC(C)=C(C=CF)CN;ZDNXNSLCWSAJHU-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71069;MM71069;CC=C(CN)C(C)=CF;UIFYVQCFVVQFFY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71070;MM71070;COCC#CC(=O)COC;KCZJIRAUXBQHQP-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71071;MM71071;CCC(C)=C(CN)CN;NMWDLOGOQJTZLA-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71072;MM71072;CCN=CN(O)C(=N)C#N;QCGDJMYYQQUJLQ-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71073;MM71073;CCNC(=O)C#CCCO;DKIANVKQHFUWQS-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71074;MM71074;CC(CF)=C(CN)CN;ONLMLCWKNCEJSP-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71075;MM71075;CCNC(=O)C#CCOC;DFYLGBYXPOYLOC-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71076;MM71076;CC=C(N=CNC)OC;VBFWUVCUMVSLAX-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71077;MM71077;C#CC(C)=CC(O)C=NN;KGXGHDUSAVHCMJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71078;MM71078;CCNC(=O)C#CCC=O;PMQCUAMEJFTPKP-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71079;MM71079;CCCC#CC(O)C(=N)N;GWKCQJYQUKYQNM-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71080;MM71080;CON=C(CO)NCC#N;HMGMTIKOPBTPIJ-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71081;MM71081;CONC(=O)C#CCC#N;PHIHWUAPSJZAMW-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71082;MM71082;C=NOCOC(=C)CO;QWEHCCCIJPMFRH-UHFFFAOYSA-N;131.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71083;MM71083;C=C(C#CCCO)CC=O;UTKXBXPZCHBDET-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71084;MM71084;O=CCC(=O)C#CCCO;TYFBBEZYNPCTBX-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71085;MM71085;N#CCC(=O)C#CCCO;GYPTWJHOYAMFET-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71086;MM71086;CCC(N)(C=C(F)F)CN;CCRVVNPPPUHGAB-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71087;MM71087;C=NNC(=CC=O)CO;AHUFTYKKAPNNBY-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71088;MM71088;CCC(OC)C(C)(N)CN;FABYDHJAGFQIEL-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71089;MM71089;C#CC(C)(C(=N)N)N(C)C;QIBLBGCFAISBAU-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71090;MM71090;C=C(C#CCOC)NC=O;NYZGCKCLMJCCLB-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71091;MM71091;C=NNC(CO)C(=C)F;CTGFIHORYARTOK-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71092;MM71092;C#CCC(C)(N)C(O)CF;DNTJONRGWKIQRY-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71093;MM71093;C#CC(CO)CC=NOC;YJCZIXJUCIWGPA-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71094;MM71094;C=C(F)C#CCC(N)CN;YTFCPMUEMPFXLK-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71095;MM71095;C=COC(=O)C#CCCO;FPYQAWLEXNVTEA-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71096;MM71096;C=CC(N)CC(N)C#CC;ABGDFWQLZPQCBA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71097;MM71097;CCC(C=NN)OC(N)=O;OJMCQQQNQAELLZ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71098;MM71098;C=CCC(=C)C#CCC=O;LOLAOODERUSNJH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71099;MM71099;N#CCC#CC(=O)CC#N;BNSQWADSTBDZQU-UHFFFAOYSA-N;132.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71100;MM71100;C=NOCOC=CCO;AQVKMLVYGDAXAM-UHFFFAOYSA-N;131.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71101;MM71101;C#CCC(N)CC(O)C#C;GNDUBFUSBDZQOY-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71102;MM71102;C=C(C#CCC=O)NC=O;TUKHUOQBVYTPMI-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71103;MM71103;C#CC(=C)C=NNCCO;XQOHQBMPSAHKDO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71104;MM71104;C=COC(C)C(O)CNC;ZAVHXDXZCQVPTQ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71105;MM71105;CC(=CC(=N)NC=N)CF;JNQPKEIZIRXWGX-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71106;MM71106;CN(N)C(=O)C=CCO;WVKDJTBZJXNSPR-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71107;MM71107;C=CCC#CC(=N)NC=O;LBWFQBGURNLAJE-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71108;MM71108;C=CNC(=O)C#CCC=O;UDBQZOCLUDQZRG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71109;MM71109;C=CNC(=O)C#CCC#N;RHAPGCPWWBHUNX-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71110;MM71110;C=NN=CNN=C;GQFGDELXGJRQTD-UHFFFAOYSA-N;98.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71111;MM71111;C=CCC#CC(=O)NC=O;JRPUBUXRTWHQRE-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71112;MM71112;N#CCC#CC(=O)NC=O;HTDLXAZKTKAUHL-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71113;MM71113;CCOC(C)C(O)CNC;JXSPKRSKJJMGCK-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71114;MM71114;C=NNC(=O)C#CCC#N;HHJAQPKFDKNONT-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71115;MM71115;CC(F)C=C(C=CF)CN;AXPKGXJVOLXPJG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71116;MM71116;C=NOCCC(=O)C=O;PYZPJRXEHUOVBT-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71117;MM71117;C=C(C)CC(CN)N(C)C;NIAHIALYRIXQAB-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71118;MM71118;CN=C(C=C(F)CO)NC;HDZZEICDRDFIGU-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71119;MM71119;C#CC(N)=NOC(=O)CC;CXUJQUXFKIROTO-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71120;MM71120;CC(=C(CN)CN)C(C)C;XLWJVWUFMPUFQA-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71121;MM71121;CC(=O)C(=N)NCC#N;UDGCPTGLFZTOQP-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71122;MM71122;C=NOCOCCC(C)=O;QIIKXIOIAKEQMM-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71123;MM71123;COCCOC(=N)N(C)C;MUBQIGLIJXWKPH-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71124;MM71124;N#CCNC(=N)C=O;ZPPQPCXVOCHVCJ-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71125;MM71125;C#CC(COC=O)NN=C;LGGXOECBRUKWSN-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71126;MM71126;C=CCC(O)C#CC=NO;LIZMBXXDUSORNT-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71127;MM71127;C#CCC(N)C(C)N(C)C;AMHCVRGGMYQCCN-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71128;MM71128;C=NNC(C)C#CC=NO;CBPKBQWMUVGAAV-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71129;MM71129;C=NNCC(F)=COC;PTROSKDKVJHZTR-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71130;MM71130;CC(C)(N)C=C(F)CO;HLSCESQEDGAPQJ-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71131;MM71131;C#CCC(O)C#CC=NO;DURMMZLSYQXJOW-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71132;MM71132;C#CC(C)(C=O)C=NNC;IXWHQMSLIULBFV-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71133;MM71133;C=C(C#CC=NO)CCO;HXUOFAXWRSQZEJ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71134;MM71134;C=CC(N)(C=C)CCCF;ZYKVPNSBSPXFGA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71135;MM71135;COCC(=O)C#CC=NO;PLPAXRYDTWDRJT-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71136;MM71136;C=C(C#CC(=N)NC)OC;VTBTUXFWQXATNZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71137;MM71137;C#CCC(=O)NC(C)=NC;ODGYBVMZKBHEBQ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71138;MM71138;CCNC(=O)C#CC=NO;BCJPWCYCSLKQFS-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71139;MM71139;C=C(C=C(CN)CN)CC;LIECHJFALSXHTG-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71140;MM71140;CN=C(C)N=C(C)NC=O;YONWPHZFHFIYRW-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71141;MM71141;C=CC(=C)C=C(CN)CN;GBEUMGZYWQOMCB-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71142;MM71142;C=C(C#CC=NO)CC=O;HBBVWUKMYUKHHP-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71143;MM71143;O=CCC(=O)C#CC=NO;TUCOBDGRQHNDJU-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71144;MM71144;N#CCC(=O)C#CC=NO;SIKQDUAPLSGMCU-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71145;MM71145;CC=C(C)C=C(CN)CN;DXFUDFSKIDDDMK-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71146;MM71146;CC(F)=CC=C(CN)CN;BDSBDWOSZUVKAM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71147;MM71147;CC=CC#CC(=N)NC=O;MANCCRBHTSSASC-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71148;MM71148;CC(=NC(C)C)NC=O;CWQGRPGKCMYYSK-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71149;MM71149;CC#CC(C)CNNC=O;YQQWYMKKSJSSKN-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71150;MM71150;CC=CC#CC(=O)NC=O;JDJSAIMBXAJIQT-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71151;MM71151;O=CNC(=O)C#CC=CF;TZOKILYZHBREGF-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71152;MM71152;C=CC(=C)C(=N)N(C)C=N;ILYWLNUJZAIWBG-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71153;MM71153;CNN=CC(C)(O)CO;LYNDTHITFKUCJE-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71154;MM71154;C=C(C#CC=NO)NC=O;UMKMJSVLPIPRFO-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71155;MM71155;CNCC=C(C)C#CCF;GWXQOQVGPVJPQN-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71156;MM71156;COCC(O)C=NN(C)C;MLHNEMBAOBDKBG-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71157;MM71157;N=C(C=NN)N(O)C=NN;MVTACNFFMZCWNQ-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71158;MM71158;C=NNC(=N)C#CC=NO;JSLHHHGVCUQBEO-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71159;MM71159;C=NNC(=O)C#CC=NN;QTSLMCQGUOHPJQ-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71160;MM71160;C=NNC(=O)C#CC=NO;KAFOQRWUTMHBCN-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71161;MM71161;C=COC(=O)C#CC=NO;XCELEHUBFZECSA-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71162;MM71162;CNCCC(F)C(=N)NC;GGBZFZFUJASWPF-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71163;MM71163;CC#CC#CC(O)CCO;AHHKCCOZYYDBPG-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71164;MM71164;CC(C)=NOC(C)CO;YOUVOQINOWPMHG-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71165;MM71165;CC=CC(O)C#CCCO;YGLANDFNJHOSRM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71166;MM71166;C#CC(=NC=NN)N(C)O;DDUKOZIDSDQCEN-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71167;MM71167;CC(C#CCCO)C=NO;DIWBZWVDKDHJKB-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71168;MM71168;COCC#CC(=O)C=CN;SHPXIDDVWFRTPD-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71169;MM71169;C#CCN(O)C=NC=NC;FBFAHAHFLKWNOS-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71170;MM71170;C=C(C#CCCO)C=NO;QKDKLWUJHNKYTR-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71171;MM71171;NC=CC(=O)C#CCC=O;KOYXAQAKSKDJRM-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71172;MM71172;N#CCC#CC(=O)C=CN;JWZYASUMYNLQEV-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71173;MM71173;C=C(C#CCC#N)C=NO;YPESBPOWLGUUBS-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71174;MM71174;C#CC=CCNN=CCO;LMPBXOONNZCJSY-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71175;MM71175;COC(=O)C(C)=CN=CN;SLKLWCXKQZLNFB-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71176;MM71176;CC#CC#CC(O)C=NO;PHIQUSRHWOGOQC-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71177;MM71177;C=CC(=C)CNCCCF;QGYQJKDGUMQCOL-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71178;MM71178;CC#CC(O)C#CCCO;NELLOLUCWGTEIK-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71179;MM71179;CN(CC=O)N=CCC=O;PCZBFLBGMOFGLQ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71180;MM71180;CC#CC(O)C#CC=NO;RQUWRBCQSDARGN-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71181;MM71181;CNCCNCC(C)=CF;OCDRUKHYEUXGPF-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71182;MM71182;C#CC(=CCN)C(=O)OC;HCUQAKFCODMADQ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71183;MM71183;C=CC(C#CCF)NC=N;NWJBOOLCPQTNLQ-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71184;MM71184;OCCC=NNCC=CF;WMSKBBYJVAREIX-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71185;MM71185;CN=C(N(C)C)N(C)C=O;FIQIRBBYJTUELC-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71186;MM71186;C#CC(CNCC)N(C)C;RIMQYMZOQLFQRU-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71187;MM71187;CCC(CC)=C(CN)CN;KHANGFCDFKSLOJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71188;MM71188;CCC(CF)=C(CN)CN;JASAMJQUPOXCAT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71189;MM71189;C#CC(CC)NCCNC;RPUXPTFQOHTUGV-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71190;MM71190;CCC(C)NCC(O)CO;OQFTXPNFGZJZTP-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71191;MM71191;C#CC(C(C)N)C(O)C=C;PSUBVWORIFHZRU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71192;MM71192;NCC(=CC=CCF)CN;XBNTUZSKCIPAEF-UHFFFAOYSA-N;144.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71193;MM71193;CNCC(C)C(C#N)=CN;OGUCAHVORCPMAN-UHFFFAOYSA-N;139.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71194;MM71194;C=NNC=NC(=NC)OC;ACYLHBWEOZBRHU-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71195;MM71195;CC(CCF)=C(CN)CN;ZTDKSTDGWJWNGS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71196;MM71196;COCCOC(C)=CCO;PKYLDKZSXQWNNT-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71197;MM71197;C=NNC(C)=NN(C)C=O;GJYOPOBOYNEQNK-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71198;MM71198;C=NOCOC=NNC;ZVABPWJMBLCVFB-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71199;MM71199;C=CCC(C)=C(CN)CN;TUABVXOPXHTDKG-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71200;MM71200;C#CCC(C)=C(CN)CN;ORPPOBHSMZLVLT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71201;MM71201;C=CC(C=O)=C(C)CNC;BKGHMNGPEWPEMT-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71202;MM71202;C=NNC=NOC;MLSFRQHPAXRWII-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71203;MM71203;C=CN(N)C=NC;WEMXORRBJIKDIO-UHFFFAOYSA-N;99.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71204;MM71204;CON=C(N)C#CC(C)=O;WPIWXKHPUBITOZ-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71205;MM71205;C=C(C=CF)CN;HOXXOZKRCPJUCZ-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71206;MM71206;C=C(C)C(=C)CN;PHIHPZIWIRRJCU-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71207;MM71207;COC=C(C)COCC=O;AGHANYIYBZYBOM-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71208;MM71208;CC=C(CN)CN;YUIMVENSVNUFEC-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71209;MM71209;C=CC(=CC)CN;AZGRVQZFIFMBJX-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71210;MM71210;C=CC(C)(N)C(=C)C;JMXMKLSVGNXLJR-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71211;MM71211;CNCC(C)=COC;KUAYYLRHQGKFCG-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71212;MM71212;C=CC(N)(C=C)CC;OGQIYGSEMLOBHM-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71213;MM71213;C=NNC(=N)C#CC=O;OWAXIKWQPHJBPL-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71214;MM71214;CC=CN(N=CN)C(C)=O;CHZLPIGWKOGPJI-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71215;MM71215;C=CN(N=CN)C(=O)CC;GDVYYAWHZIAPHR-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71216;MM71216;CN(N)C(=O)C=CN;PLISCZXWCRSDIR-UHFFFAOYSA-N;115.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71217;MM71217;CN(O)C(=NO)NO;PPALAKOGVDMWMT-UHFFFAOYSA-N;121.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71218;MM71218;CC(=CCO)OCCC#N;KVDGCIXXTGIXPF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71219;MM71219;C=C(C=COC)CN;XHNMCWPRFVTABS-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71220;MM71220;C=NNC(=O)N(C=N)NC;CAJVVPTUCQOHBF-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71221;MM71221;C=CC(C=C)C(=O)NC=N;YLTYQVGTLFQVRZ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71222;MM71222;N#CCN=CN(O)C=CF;UQUZIDLCJQJILQ-UHFFFAOYSA-N;143.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71223;MM71223;C#CC(=CCN)CF;FAFVQRRCIZSHCP-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71224;MM71224;CNN=CCC(=O)NC=O;JNXGDVAUAJEVGU-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71225;MM71225;CC(C)(N)C(F)=CCN;RTQFYVUCBRLCCG-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71226;MM71226;C=C(CN(C)C)C(C)N;BBTVUPHPJDGRFU-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71227;MM71227;C=CCOC(=O)NNCC;YTXXAGRXVRHCLU-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71228;MM71228;COC(C)=CC(=N)NN;GROLCXUOHSWRGF-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71229;MM71229;CC(C)C=C(CN)CN;CUVJHZPJKNVJMF-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71230;MM71230;CC(=CC=O)COCCO;MSSFZGVDOMPZIH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71231;MM71231;CC(=CC#N)COCCO;PBRDAGNPEDDTGQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71232;MM71232;O=CC=C(F)COCCO;JUKOLDNVNJLQGZ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71233;MM71233;N#CC=C(F)COCCO;LLDKZJBOGAWDCF-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71234;MM71234;CC(F)C=C(CN)CN;FXPJVPPOOUOKKB-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71235;MM71235;CCNNC(=O)OCC;CWYKSVVUHGYPDF-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71236;MM71236;C=C(CNC)COC=O;QZQRIUJZTSMHJX-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71237;MM71237;C=NOCC(=C)CNC;PXCVMLSQBCSPEF-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71238;MM71238;CN=CN(C)C=COC;CQEXSGNVACZLIB-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71239;MM71239;CNCC(C)=COC=O;PIRQTQCPRUVJGA-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71240;MM71240;C=C(F)C(N)CNCC;IHKMEXANYBPEIO-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71241;MM71241;CCCNCC(C)=CF;GQPWDMYODYSKFP-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71242;MM71242;C=C(C=COC=O)CN;MQMYZQJEJPUJAC-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71243;MM71243;C=C(CC)CNNC(C)=O;HTJSYFXKRQOTST-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71244;MM71244;CC=C(C)CNNC(C)=O;DNVVHXMKXPHCIU-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71245;MM71245;C=NOC(C)(CO)OC;MHFZQAYFNTWJGN-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71246;MM71246;C=CC(O)C(C)=NNCC;UFNFFLQUAVHGDB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71247;MM71247;CNN=CCC=C(F)CO;ISFZRYSVROJXQR-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71248;MM71248;CNCC(C=CF)NC;QZXRMJZHBLQPRG-UHFFFAOYSA-N;132.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71249;MM71249;CC(=CC#N)OCCCO;HXYOOLDZEGZVHE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71250;MM71250;C=NOC(CO)C(C)F;CXCYKODPMGMWNC-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71251;MM71251;CCNC(CF)C(C)N;CIJSDIGYXSAQSP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71252;MM71252;C=CC(=NC=N)N(C)C;MZJHXQJJDRXPLI-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71253;MM71253;C#CCC(CN)=C(C)C;BRPHXMICNVPQMS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71254;MM71254;CNC(C(C)N)C(C)F;ZMQXEBGEUBJUHN-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71255;MM71255;CC(=CC#N)CCCC#N;XQSOEZBXCPUEAH-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71256;MM71256;CCCC=C(CN)CN;KACMIFJLADSURL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71257;MM71257;NCC(=CCCF)CN;IJYAIKUQZSHRFC-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71258;MM71258;C=CCC=C(CN)CN;AACNZBDVSURAMK-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71259;MM71259;CC(N)CN(C)CC(C)F;VRSIJHFSMYNHRU-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71260;MM71260;C#CC(C)NC(C)(C)CN;FVECPJJLNJNGRG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71261;MM71261;C#CC(C#C)C(C)(N)CN;NMNKLBUHMLHFPC-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71262;MM71262;C=C(CN)CN(C)C(C)C;XNROWSPEHQZBMJ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71263;MM71263;CC(N)C#CC(F)=CCN;XKFFKQMOFQQEDQ-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71264;MM71264;N#CC=C(N)CNNC=O;XGLYWIUJFHAJNM-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71265;MM71265;C=CCOCC(N)=CC=O;TZZIIMBLRFBTEW-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71266;MM71266;CC(C)C(N)COC(=N)N;VQLHUCDTXVPGPS-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71267;MM71267;N#CCOCC(N)=CC=O;XUYKKRJMIZWWQL-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71268;MM71268;CC=NOC(=NC)N(C)O;BDYVDHFPIGDBRW-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71269;MM71269;C=C(C=COC(C)=O)CN;SOTHJAITXDLOPY-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71270;MM71270;C#CC(F)CC(N)COC;YWPIZVGHHHYDAN-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71271;MM71271;C=C(CC(N)COC)OC;IDJRZSDBXRVPAV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71272;MM71272;C=C(CNC)CN(C)CC;HHGXXXASELLQTH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71273;MM71273;CON=CCC(CO)=NN;GBUJOUMSYFZZTK-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71274;MM71274;CC(=N)N(CC#N)C(N)=O;SHVQFYMYOIRHQL-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71275;MM71275;CC=CC(N)CC(N)CF;NPQWVIIXRWODTA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71276;MM71276;C=CN(N)C(=N)CO;RSCOIAKYHTZLPN-UHFFFAOYSA-N;115.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71277;MM71277;C#CC(C#C)C(=NN)NO;BEKIIIBMZFNWCF-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71278;MM71278;C=CC(O)C(CCF)NC;YBRLVUSVKPSLOZ-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71279;MM71279;C=CCNN=C(C)NC=O;LHLPFJGFQGVHEX-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71280;MM71280;CC(=NNCC#N)NC=O;MYVLFUDLFLCUOT-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71281;MM71281;CNN=CC(=NNC)NO;BLKWUEVXEKGQGT-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71282;MM71282;C#CC(C)(C)NN=CCO;XQSOEFPJNAXNCT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71283;MM71283;CC(=CC#N)OCCC#N;DVOCWWQDXCAPDR-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71284;MM71284;NC(=CC=O)OCCC=O;CHGJWLRDDJAKAC-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71285;MM71285;N#CCCOC(N)=CC=O;CBJIBUQYHDASRN-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71286;MM71286;C=COCOC(C)=CC#N;ZRSGKGLFYBZGCW-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71287;MM71287;C=COCOC(N)=CC=O;YBXYRDLMBZEKCV-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71288;MM71288;C=C(C=C(C)OC=O)CN;UQCNZNYTQPSQGB-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71289;MM71289;CC(N)CN(C)C(C)CF;DXLANDADNIURLW-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71290;MM71290;CCN(CCF)CC(C)N;AELKOTGQSGTQLL-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71291;MM71291;CNCC(C=C(C)F)NC;XRQDTEBSBPUUMT-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71292;MM71292;C=CC(=NN(C)C)N(C)C;GFVXRTPBKRPXMK-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71293;MM71293;CN(CCN)CCCCF;TYOGBHTYMWBHKX-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71294;MM71294;C#CCOCC(N)=CC=O;UBAMAZJTWHNCAV-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71295;MM71295;C=C(CNC)CON=CC;PZMZQTFBPLLDIG-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71296;MM71296;CNCCOC(N)=CC=O;CHDFNUOWXFOYGQ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71297;MM71297;C#CCON=C(C)NC=O;UDRGXWYRTXSOCA-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71298;MM71298;C#CCCOC(N)=CC=O;QOIURSKALSHJGC-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71299;MM71299;CNCC(C)=COCOC;XZLRLGHDBJPCPL-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71300;MM71300;CON=CC=C(C=O)CO;RQNKUUSBBUDFCA-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71301;MM71301;CNCC(C)=COCC#N;QXCFWKZBDLIBDP-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71302;MM71302;C=NOC(C)C(=C)CNC;FIHXBFOAIFXKGF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71303;MM71303;NN=CC(=CCF)CO;SGNMVAKEWANRCP-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71304;MM71304;CON=C(C)COC=NO;UQSKSGYZMXWEHL-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71305;MM71305;CN(C)C(=N)OCCC#N;WPSCEJUVJPLBBV-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71306;MM71306;CON=CN(C)O;NQRFTZHRFKRZPW-UHFFFAOYSA-N;104.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71307;MM71307;CNCC(O)CC#CC=O;NDHKJUCXIGAMRV-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71308;MM71308;CN=CN=C(N)C(F)C=O;BFSMLOCRRHATLN-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71309;MM71309;C=NOCC(=O)C=CC=O;ODFQHUOHSRHWIN-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71310;MM71310;N#CC=C(N)CCC=NO;SYPXLGRQNCQYKX-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71311;MM71311;C=C(CNC)C(C)N(C)C;OEWRCEDYBCFAED-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71312;MM71312;COC=C(COC)NC=N;DNHYTFDJRAEVOX-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71313;MM71313;N#CC=C(F)COC=NO;OQHCKYPNPLPOAB-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71314;MM71314;C#CC(C#C)(CN)C(C)N;UKMGHTOOKQFQOT-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71315;MM71315;C=CC(N)CC(CF)NC;JFKYOKSYICTFKJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71316;MM71316;C=NN=C(C)N=CNN=C;MZLZBABZUSKGTQ-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71317;MM71317;C=NNC=NC=NN=CC;DICXCQOVZABXAI-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71318;MM71318;C=NNC(C)=NC=NOC;YAUIPNQUMNHAMX-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71319;MM71319;C#CC(C=O)C=NN(C)C;ITMZUBHEUBUAKJ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71320;MM71320;CC(=NCC=NO)NC=O;ALRHPLOXELBFHL-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71321;MM71321;CNN=CCOCC=O;WQXQTFVIDXJXQO-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71322;MM71322;CC(=CC=O)OCC=NO;ILQOKFJCFQLSFP-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71323;MM71323;C=CC(CC#N)=NN(C)C;OQXBGHROKGPLNX-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71324;MM71324;C#CC(C)=CC(CN)NC;MKKOHKAMUSZJLF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71325;MM71325;CC=NN(C=N)C=NN;WOWOEHSTUIZCPX-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71326;MM71326;CC(O)C1(N)CC1;BSYCHISQIDPAFR-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71327;MM71327;CCC(C)C=C(CN)CN;OAOXRQNNALAMJS-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71328;MM71328;C#CC(C=C)(CO)C(C)N;QBXOHHSLIMMFLL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71329;MM71329;CC(=N)N(C)O;VGAGNAPEAXVCSF-UHFFFAOYSA-N;88.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71330;MM71330;C#CC(C(C)O)C(C)NC;CEDHKGGOPIBWTA-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71331;MM71331;CCC=NN(C=N)C=NN;AGMZWMGJKYXTNZ-UHFFFAOYSA-N;141.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71332;MM71332;CC(=CCO)OC=CCO;IKCXBAGUVBCHAY-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71333;MM71333;C#CC(C)CC(=N)NO;YRVNFJPGYZLFBI-UHFFFAOYSA-N;126.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71334;MM71334;C#CCNC(=N)C(=O)C#C;IESVQUORZXGVRM-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71335;MM71335;CC(C=C(CN)CN)CF;ROHWJJNRWIRCEW-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71336;MM71336;C=CC(C)C=C(CN)CN;GVICETFBCLTMAZ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71337;MM71337;CC(N)C(CO)CO;AXHSIQOZNGYGJM-UHFFFAOYSA-N;119.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71338;MM71338;C=NNC(=N)C(=NN)OC;LFAWYNTUYJZVFY-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71339;MM71339;C#CC(C#CC(C)N)CN;AUQCQQSQDUJRMD-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71340;MM71340;COCCC(F)=CNC=N;HQBLRQYLRMRVEY-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71341;MM71341;CC(=CCF)N=CNC=O;GYWIABCBILHRNG-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71342;MM71342;C=C(F)C(CN)C(C)O;STYSLOMOFLYHIA-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71343;MM71343;C=C(CN)C(F)C#CCN;ITYVAWNDUUNTKB-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71344;MM71344;CC(C=NOC=O)=NN;WIUYTVNJPHYOIV-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71345;MM71345;CCN=C(C)N=CNC=O;DPJLADDPQIUKCB-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71346;MM71346;C#CCOC(=NC)NN=C;FQVNWRRTHSMRCH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15373;MM15373;CC(=CCO)OC=CC#N;PHPSBXPZFWAAHF-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71347;MM71347;C=NNC(C)=NO;NYYPYINGKZQCML-UHFFFAOYSA-N;101.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71348;MM71348;C=C(C=COCCF)CN;PSLWJVIKBGUXTF-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71349;MM71349;C=C(C=COCOC)CN;VOFFKEZRGBEEJF-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71350;MM71350;C=C(C=CCOC=O)CN;AICBUDAIPMNXBP-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71351;MM71351;C=CC(=O)C#CCCNC;OSLDBJLGHVSZCH-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71352;MM71352;C=C(CO)C(C)(N)CCF;HJRZGCMBVRZDAN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71353;MM71353;C=CN=C(C=C)NC=O;PSXJFSFABFRUSZ-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71354;MM71354;CCNNC(=O)OCC#N;FNLDQXOGWYWGTI-UHFFFAOYSA-N;143.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71355;MM71355;CCC(OCCO)C(C)N;AJSPOQXURMJHDI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71356;MM71356;C=CC=CNC=NCCO;GWIIJIJSZKRQPT-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71357;MM71357;CNCCOC=C(C)C=O;AAWNCWOAVTZSFG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71358;MM71358;CC(CCF)NCCO;FYIJDQBHBFUGDV-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71359;MM71359;CC=CC(=O)NC=NC=N;BWJGMMYKNKQAMS-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71360;MM71360;C=NNC(=NOC)NN=C;ZBILSPQSXJTJMT-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71361;MM71361;CON=CN=C(C)NC=O;VKROUSAIGFXVFK-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71362;MM71362;C#CC(C)(O)CON=CC;FYTMSKDDDOVKGK-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71363;MM71363;C=C(C)CNNC(C)=O;AUGRLINDIDSECQ-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71364;MM71364;CNN=CC(O)CO;QRAUEPWXMNHFTI-UHFFFAOYSA-N;118.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71365;MM71365;CN(C)C(C#N)C(N)=O;RBVMPNTVFXIMEF-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71366;MM71366;CC(=NN(C)C)C(C)(C)O;JLPNIOORUJHNML-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71367;MM71367;COC=NN=C(C)NC=O;WEYCPNVQXHRZMD-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71368;MM71368;CCC=NOC(CO)CO;LEPANDFNLWAQEK-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15374;MM15374;CC(=CC#N)OC=CCO;LLMUMAKBIKUHBK-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71369;MM71369;C=NOC(C)C#CCO;PMOJZZLIGRDBQY-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71370;MM71370;COC=COC(N)=CC=O;DHRDCCVWHVDAOK-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71371;MM71371;C#CC(=CCN)C(F)CF;UWWYYQAIOARYTR-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71372;MM71372;C=C(C=NN)C(F)CO;KCFXGMAXBLWTBV-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71373;MM71373;C=NOCC(CNC)OC;OTILLULYXLXDMF-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71374;MM71374;CC(=CC#N)CC=CC#N;UUTNIYVBEYDUQM-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71375;MM71375;NC(=CC=O)NC=CC=O;KEQZJBKCFFMQRY-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71376;MM71376;N#CC=CNC(N)=CC=O;UARRRQCVVYVPAP-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71377;MM71377;C=CC(CF)CNCCO;PLZMDHHHWTVELV-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71378;MM71378;C#CC=C(CN)NC=NC;IHTLWIJTLQMHGY-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71379;MM71379;C#CCC(CCO)NC;KWUUWXMZHQYOBI-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71380;MM71380;C#CC(C=NOC)=CCN;MHEUMMDIVVVJCE-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71381;MM71381;C#CCNN=CC(O)CC;DVYPVBRVZJSTQL-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15387;MM15387;CC(=CC#N)NN=CC#N;DSPQMOGZZSWPPE-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71382;MM71382;CC(=NN)N(C)CCCO;UMYNDAJLMKDBOP-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71383;MM71383;N#CC=NNC(N)=CC=O;FKDQIAKKLMXAAE-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71384;MM71384;COC(=NC(C)=N)NO;PBURGEMVFBMSAF-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16081;MM16081;N#CC=NNC(N)=CC#N;DTLZWCRIFQRBEQ-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71385;MM71385;C=CC(C)NCCCCO;HCIDMEVNEKJHMX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71386;MM71386;COC(=CCC#N)NC=N;MZLJKDGBFWUWAH-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71387;MM71387;CC(=NC=CC#N)NC=O;TXFGZEOADJWJNV-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71388;MM71388;COC(=O)C(=N)NO;MCOACEFOXULRHU-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71389;MM71389;C=NN=CN=C(C)NC=O;WKTICYUDZHPRHJ-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71390;MM71390;CNC(=N)NN=C(C)C=O;MZWJCKGKUGBWGM-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71391;MM71391;C=NN=C(C)N=CNC=O;JFBUOCSRHHKGKS-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71392;MM71392;CCC(C=O)NN=CCO;MADKKBMTHOUFPB-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71393;MM71393;CN=C(N)C=C(F)CC=O;KLTXPRIPQHGNSL-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71394;MM71394;CC(=NN=CC#N)NC=O;KVXUADWOGTWDJT-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71395;MM71395;CC(=CC#N)OC=CC=O;ZKLDBYQCPKKWOA-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71396;MM71396;N#CC=COC(N)=CC=O;OELPRTUCRJQLLB-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71397;MM71397;C#CC(=CCNC)COC;TYRIVYPYPHPVNL-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71398;MM71398;C#CC(C(C)NC)N(C)C;VRYPNINEVZPXEV-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71399;MM71399;C=NN=COC(C)=CC#N;RFQYQZKEWXZCSL-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71400;MM71400;C=NN=COC(N)=CC=O;VLCPCRQXXKLKBR-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71401;MM71401;CN(C)C(CN)CC=CF;WGSPKGXQXKVTRH-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15270;MM15270;C=NN=C(C)ON=CC#N;ROSYZNHGDWKOIT-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71402;MM71402;C=NNC(C=CC#N)CO;OLEJYGFMTRMLCI-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71403;MM71403;C#CC=NN=C(C)NC=O;AIDKUSCOAQSWEJ-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71404;MM71404;CNC(=N)NN=CN(C)N;YVHQNDXORWOJIK-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71405;MM71405;C#CC(CN)C(OC)OC;XOPUFBCCURCJOE-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71406;MM71406;NC(=CC=O)CC#CCO;NPHYCGYXIMHHIL-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71407;MM71407;CC(=CC#N)CC#CC#N;UCVRXCBYQOEXKP-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15958;MM15958;N#CC#CCC(F)=CC#N;ZJBADSYZOKEQAS-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71408;MM71408;CCON=C(NC)C(=N)N;GUMARLRFXFTVAJ-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71409;MM71409;C=CC#CC(OC)C(=N)N;MHHMITPVQWBWLV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71410;MM71410;C=CN(C=N)C=COC=O;HZMVWPWEXLBMTR-UHFFFAOYSA-N;140.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71411;MM71411;CC(C=CNC=O)=CCO;ACLDEAUHQXMSFI-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71412;MM71412;C#CCC(=N)N(C)CC=O;ICHAAZJDWRHHHF-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71413;MM71413;O=CNN=CC(F)=CCO;XQFOGTJUKQGGQU-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71414;MM71414;CC(N)C(C)(C)CNC=O;QLKFCJICQBSQPD-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71415;MM71415;C#CC(C=CC(C)O)=NN;XKTUDMBKOFCFIN-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71416;MM71416;NCC(=CCCCF)CN;AZAPTEVTHFBILG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71417;MM71417;COCC=CC(N)=CC=O;LJQBCPOXZFSESX-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71418;MM71418;C#CCCC=C(CN)CN;CERNHROVEMIBQA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71419;MM71419;C=CC(=CCNN=C)CN;NQCLNERFGBXUPH-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71420;MM71420;NCC(=CCC=CF)CN;GGHXOTWLKLEXCZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71421;MM71421;CC(C=CNC=O)=CC=O;UWUDKPQZPZDBPE-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71422;MM71422;N#CC=C(F)C=CNC=O;YZXHRZVOVNKHRH-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71423;MM71423;NC(C=COC=O)=CC=O;FQHSKCNAUAEASF-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71424;MM71424;CNCCNCC=COC;UOTQWSCDYDJGHZ-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71425;MM71425;C=NNC(=N)N(C)N(C)C;ZMMGREWLHNBXRA-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71426;MM71426;C=C(C)C(N)CCC(N)=O;WGNJPWRLVQBRAH-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71427;MM71427;N#CC=C(F)C=NNC=O;FKDPTPRBRQEBNL-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71428;MM71428;C=NNC(C#N)C(C)CO;HBGOPLMFJCXMEW-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71429;MM71429;CNCC=CC#CC=NN;MSQLRRIRJLLUKQ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71430;MM71430;OCC=C(F)C#CCCO;GKZZSRXTBAOABN-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71431;MM71431;C=C(CN)CN;PRCGMIFKQRXNBS-UHFFFAOYSA-N;86.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71432;MM71432;C=CC(=C)CN;YHUSMDXAJWFHKS-UHFFFAOYSA-N;83.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71433;MM71433;CC(C)(C=NN)OC(N)=O;ZYKMGGTVCIWBSW-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71434;MM71434;CNCC1CO1;YYYGSQOZWZQGSM-UHFFFAOYSA-N;87.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71435;MM71435;COCC#CC(N)=CC=O;CCYAYSDNBVAIAV-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71436;MM71436;CCOC(=N)N(C)C;XPJAMCKNFBJQEY-UHFFFAOYSA-N;116.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71437;MM71437;NC(C#CCC=O)=CC=O;DNBOZPBQUHCCBL-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71438;MM71438;N#CCC#CC(N)=CC=O;DJRVTIWYQORZDU-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71439;MM71439;N#CCCC=NNC(=N)N;XLONNRYNQDZSJJ-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71440;MM71440;CC(C#CC=NO)=CCO;YSKQEAYHPZHSPV-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71441;MM71441;C=CC(NCC#N)C(N)=O;VOBKKCIXKOIGGZ-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71442;MM71442;C#CC(C)=C(C)CN;HGDWLDDWUJXWGQ-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71443;MM71443;CNN=C(C)C#CC=NO;AEXNJWFQNDLAEJ-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71444;MM71444;N#CC=C(N)C#CC=NO;MGUJMBCMADGMMP-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71445;MM71445;C#CC=C(CC)CN;UNGJXODCJAIMOR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71446;MM71446;C=CNC(=N)C#CCF;QXEWKBYPVAWANA-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71447;MM71447;C=C(F)C(N)C(C)NC;WGXGPEJSEVYOMJ-UHFFFAOYSA-N;132.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71448;MM71448;C#CC=CCN(N)C=N;FKVLWSFXJSMLKD-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71449;MM71449;C=CC(N)CC#CCN;PLVWNVXXESNLNA-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71450;MM71450;COCOC=C(C)CCO;PPIHEODZTOABNM-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71451;MM71451;C=C(C=NN)C(=N)NN;TUXXQFPVIZZMQM-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71452;MM71452;CNCC(COC)OC;XUMJDSWFZLGUEG-UHFFFAOYSA-N;133.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71453;MM71453;C=CN(C=NC)C(C)=N;FPQZYZWZPFYQSC-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71454;MM71454;CNC(=NOC)C(=N)N;WPEADXRWCRXORZ-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71455;MM71455;C=C(C=NNC)C(=O)NC;PMEVRCLKPZKULJ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71456;MM71456;C#CC(CF)C(=C)CN;KIPYCQFMVHPUFQ-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71457;MM71457;C#CC(CF)=C(C)CN;FJJMWWVHXAMRFS-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71458;MM71458;CNC(=N)OC(C)(C)CN;OZELBBBIMLPYKE-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71459;MM71459;N#CCOC=C(F)CCO;YNKAHPNLIBSOTF-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71460;MM71460;C=CC(N)(CN)CC(=C)F;CWEPZVOJYKVVCT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71461;MM71461;COCC(C)=COCC#N;VBCSHJSNLOSMGQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71462;MM71462;COCC(F)=COCC#N;RPMRKHCIVXXEJG-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71463;MM71463;C=C(CNCC)CN(C)C;UODMTALDXVVQFB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71464;MM71464;C=NNC(C#N)CCCO;ZPBJGPMAOUFGGV-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71465;MM71465;C#CCC(OC)ON=C;PFRJTIWZTNSBBX-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71466;MM71466;CN=CNN(C)CC(C)C;LYLPBUBZSORCKK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71467;MM71467;CNN=CCC(=O)CCF;JXTQAOOKYKRJJM-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71468;MM71468;C=CCC(N)(C=CF)CN;QTGJFCRWNBXXIV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71469;MM71469;C=NN(C)C=NNCCF;OTKXHOXARFYNHF-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71470;MM71470;C=CC(=O)C(N)=NNC;DANWNCUOVXUCKC-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71471;MM71471;CON=CNC(=N)NN;OBZFNMHYLFSJEZ-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71472;MM71472;N#CCC(F)=COCCO;XVTIJLAOUJYMSE-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71473;MM71473;CNCC(C)OCC(C)=O;QRTXVAJALSEXAL-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71474;MM71474;CN=C(C)NNC(C)=NN;DBTJVCOKVCUNHR-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71475;MM71475;C=CC(N)CN(C)C(C)C;CJFQRGDIGKEGIU-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71476;MM71476;CC(=COCCO)NC=O;HVKAXWSKODEYJQ-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71477;MM71477;CC(C)COC(=N)N(C)C;ZXQRJZAUZGLHEU-UHFFFAOYSA-N;144.22;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71478;MM71478;CN=CN=C(NOC)OC;JMEZYPNKVNBYRD-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71479;MM71479;C=C(C=C(F)CNC)CN;ORZVGPDUOPWXEQ-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71480;MM71480;C#CCC=NNC=NN;NQTVDFZWJLDUOP-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71481;MM71481;C#CCNC(=NN)C(C)F;LARJAZKKEBDUDI-UHFFFAOYSA-N;143.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71482;MM71482;C=CC(=NNC)OCC;ODEURIHSBBRCDQ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71483;MM71483;C=CC(=NNCC)OC;XBVVOUGVCIOWFS-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71484;MM71484;CC#CC(C)NNC=NC;MVLRRRDOVJHYGH-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71485;MM71485;CC(=COCC=O)CC#N;CXXLLYXTOMTFGT-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71486;MM71486;N#CCOC=C(F)CC#N;HOXZWPYVUKKOAF-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71487;MM71487;C=C(C)C(=O)CNC=NC;RRALEFVPYSTYQS-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71488;MM71488;C=C(CNC)C(N)C=CC;MYQNCFJJDIIAEX-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71489;MM71489;CC(=COCC#N)NC=O;SSNHYQISJDNYDC-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71490;MM71490;CC(=COCC=O)OC=O;KIWFBDXOFQNTMB-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03058;MM03058;CC(CC#N)=NNCC#N;UFMJMUNOEFEKMU-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71491;MM71491;CC(CC#N)=NOCC#N;QVMLGBYECCMATJ-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71492;MM71492;N=CN=C(NC=N)C(=N)N;MDOAMAVDBNAOMF-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71493;MM71493;C=NNCCC#N;KGWXRLYKYDGPAS-UHFFFAOYSA-N;97.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71494;MM71494;C=CC(NC)C(=C)C(C)N;MZDFULKDXFEXTL-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71495;MM71495;CN(C)C(=N)OCCCF;AMRGMIHHYBEDFU-UHFFFAOYSA-N;148.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71496;MM71496;CNN=CC(C#N)NC;GWURURNQTQHSOM-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71497;MM71497;C=NNC(C#N)CCOC;ROUNOXDSFIASBP-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71498;MM71498;C#CCNN=CC(C)OC;KZASYHKZLGSVKJ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71499;MM71499;CCCNCC(C)=C(C)F;OKISVRPWWWFVRM-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71500;MM71500;C#CCNN=CCOC;FXBNAVWWKSJFOX-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71501;MM71501;CCOC(CNC)COC;FYIPCYCMDDUEII-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71502;MM71502;C#CC(CF)(CF)CNC;FOXDCWCERPKKRF-UHFFFAOYSA-N;147.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71503;MM71503;C=CC(CF)NCC(C)N;QZNZFMYYOBODMA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71504;MM71504;C=CCCN(C)NC=NC;IXBXSIQTPTTYKI-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71505;MM71505;N#CCCC(F)=CNC=N;CYZHXGGAJLWTHJ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71506;MM71506;N#CC(=N)NC(CF)CF;WJAOUFUQLPMMCV-UHFFFAOYSA-N;147.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71507;MM71507;CN(C=N)N(C)C=CC#N;SHMZOOWDVJSFDV-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71508;MM71508;COCON=CNOC;PJPBZTWWGCRLTQ-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71509;MM71509;COC(C)CC(=O)N(C)N;NQRFFOOKWXAOKO-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71510;MM71510;COCC(C)=NOC=NO;ODTJKWPPLPHKAX-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71511;MM71511;C=CC(=NC=NC)NC=O;FUWWQHVYBPAOLB-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71512;MM71512;C#CC(=C)N=CNC(N)=O;YDRQSYVHZMIWJX-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71513;MM71513;C#CC#CCC(=O)NC=N;PFDXNVJCYMFYAE-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71514;MM71514;CNN(C=O)C=NCC#N;RCLYWBDZOSFWRB-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71515;MM71515;N#CCC(F)=CNC=NO;UXRKNKMGDMYLHK-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71516;MM71516;CC(=COC=NO)CC#N;XRDHAIZXICQCOC-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71517;MM71517;CC(CC#N)=NN=CNO;CTZJROFYTDOHIU-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71518;MM71518;CC(CC#N)=NOC=NO;RUSSMOAWXULHTR-UHFFFAOYSA-N;141.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71519;MM71519;CCN(C)CCOCCN;JEWBOTHMYSKJOF-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71520;MM71520;C=CNC(=O)OCC=NN;YWDNHBSTAFVPMR-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71521;MM71521;C=CC(C)NNC(C)=O;RUWLVBFGGOWQKT-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71522;MM71522;CNN=CCC(=O)C=O;GGFLBDRQMWCXLS-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71523;MM71523;C#CC(=O)NCCNN=C;ZLVXINPKUIGMOV-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71524;MM71524;C#CCC(C)=NOC=NO;UYSAFFRWZHPKOQ-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71525;MM71525;COC=CCNC(C)CN;KMRUVLKUZXXHMS-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15406;MM15406;CC(C=NO)=CCCCF;LDTCTLXVTLVHJB-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71526;MM71526;CCC(=NN(C)C)C(C)O;PKGVOFWQSJLNOX-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71527;MM71527;C=CNC=NC=C(C)C=O;FJTSZNUTPMZCQM-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71528;MM71528;CCOC(CN)C(N)CC;JQWKSDOLPRSJSR-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71529;MM71529;CC(C)C(CO)=NN(C)C;QRNRWPNBKUILFH-UHFFFAOYSA-N;144.22;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71530;MM71530;C=NOC(=NC(C)C)NO;PBHDHGQBACYXGK-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71531;MM71531;CCOCC(CNC)OC;RLXBBXYINQOOJN-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71532;MM71532;CC(C=NO)=NOCCO;FKLDSKCXNNOIAC-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71533;MM71533;CC(C=NO)=CCNC=O;OLFDAOVHPQXEQF-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71534;MM71534;C#CC#CC(=NNC)NO;AYHDXQKSDZVZJJ-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71535;MM71535;C#CC(=C)CNN=CCO;ZFNZWEDEDYVTTO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71536;MM71536;O=CC=CCNN=CCO;IYVLDAQPVSBNQB-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71537;MM71537;N=C(N)NOC=NN;UXGNGWHXTDKZJM-UHFFFAOYSA-N;117.11;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71538;MM71538;COC=CC=NOCCO;RLNHPFJXDHWOCE-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71539;MM71539;CC(C=NO)=NOCC=O;GWMZWOJQIZUZFU-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71540;MM71540;NN=CC(=CCO)CF;KWPPZECQCPVTKL-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71541;MM71541;C#CCC=C(NC=N)OC;BUCMZTSQCROFGH-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71542;MM71542;C#CC=NNCCC(C)O;VJGCPOIOPDGJDO-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71543;MM71543;C#CCNN=C(C)C=NO;APTPFFRVIHBHBS-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71544;MM71544;C#CC=NNCCCCO;DAXVBZXINUUUCC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71545;MM71545;C#CCON=C(C)C=NO;UQGMLYMONSPUPO-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71546;MM71546;C=NOC(CCC=O)OC;NXLNXPOUHBPARG-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71547;MM71547;C=C(F)CC(=O)N(C)N;YUGVVABDCYKWDN-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71548;MM71548;C#CC(=CCNC)CC#N;BAHUIWZAMORURJ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71549;MM71549;CNCCC(=NN)OC;OSHMAPWQNMUOPI-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71550;MM71550;NN=CC(F)=COC=NO;CXEPTKZVBJVAMP-UHFFFAOYSA-N;147.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71551;MM71551;CN(N)C(=O)COC=NN;AKYGSVPJMFEYAN-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71552;MM71552;COC(C#CCF)C(=N)N;HWJYAJCWBUNRCR-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71553;MM71553;CCCOCC(CN)NC;BBOMGJFOTHJACO-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71554;MM71554;C=NN=CNC(=N)N(C)N;JGVALJAZGZFDQY-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71555;MM71555;CCN=CNC=CC=O;XQDFUXSUWJHGBS-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71556;MM71556;C#CC(OC)C(=N)NCC;CPIRUCDHOMBEEE-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71557;MM71557;C#CC(=CF)C(=C)CNC;QUPJVRRWVRLHQM-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71558;MM71558;C#CC=CCN;UXKNNWBDTNMFCS-UHFFFAOYSA-N;81.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71559;MM71559;CC(CCO)=NN=CC#N;KQIQPCQZAFFUMH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71560;MM71560;C#CCN(OCC)C(=N)N;LIBVUUKIZFSIBA-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71561;MM71561;C#CCC(=C)CN;OWDWXNBSKDEUFO-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71562;MM71562;C=NNC(=N)C(=C)NC=N;OXBQQABYEAUZPT-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71563;MM71563;CC=NN(C=N)C=NNC;GURBGUYHSLVQAC-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71564;MM71564;C=NNC(C=NN)=NN;VJCFTPAGZUYSKQ-UHFFFAOYSA-N;128.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71565;MM71565;C#CC=C(C)CN;OLIUPBVCEHONNF-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71566;MM71566;CC(CC#N)=NN=CCO;LGIUYGHIPHXJET-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71567;MM71567;C=CNC=NCC=NNC;WDIKUWXXPXVSJY-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71568;MM71568;C=NNC=NOCON=C;VDOCYKIQTJUTDP-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71569;MM71569;CC(=NN=CCO)OC=O;VFKMAHQIBZBXBA-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71570;MM71570;CC(=CC=CC#N)CC#N;FVBSNLPFZXAXRW-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71571;MM71571;CC1CC(C)N1C;HNVKIHCMLQFCAO-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71572;MM71572;CC(C)N(C)C(=N)NC=O;BLFFVHMXVUYMEH-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71573;MM71573;CC(N)(C=CF)CN;OEBPRWXIWHDNHK-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71574;MM71574;CC(C=CF)=CC=CC=O;BDFFWDLOWFYIOV-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71575;MM71575;C=NN=CC=C(N)C=NO;AYGRYHZIMIRFGG-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71576;MM71576;CC(C=NO)=NN=CC#N;RZHPCYNKVPVAGD-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71577;MM71577;N#CC=NNC(=N)C(=N)N;PQKHTBCNWCYVTD-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71578;MM71578;C#CC=NN=C(C)C=NO;XRHMRHYEWJGDOW-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71579;MM71579;C=C(F)C(C)=CCN;GCLWCCHCTHNVCF-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71580;MM71580;CNCC=CC(F)(F)CO;MZTAFXQFTFEHBG-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71581;MM71581;CC(=CC#CC#N)CC#N;GYEMXEVYSOKJNL-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71582;MM71582;N#CC#CC=C(F)CC#N;PWDIOXJCKZJQNE-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71583;MM71583;CC#CCC(=N)NN;RCIJZTKFQDJLHP-UHFFFAOYSA-N;111.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71584;MM71584;C#CC(C)=CCNC;AMXKCLXPVUGRTO-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71585;MM71585;C=CC1(NC)CC1C;NDANDKVYJXHMSN-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71586;MM71586;CCCC(O)C(O)CCO;IFHAEPAIFCSCJZ-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71587;MM71587;C#CC(=N)NC(C)CF;CSCGFSYGYZUUGP-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71588;MM71588;C=NOC(C)OC=NN;VJLMCDOGTMEOSH-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71589;MM71589;CC(C)=CCN(N)C=N;GQIKYXBYVKPISS-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71590;MM71590;C=COCC(N)CCF;HQBSGJBGIGLFBZ-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71671;MM71671;C#CC(=N)NCC=NN;XASGYVMRUVHCRU-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71672;MM71672;C=CC(N)C(=C)CNC;BGFSGYMDCWSNPD-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71673;MM71673;C=NNC(C#N)COCC;HMIBVHASFIZUFK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71674;MM71674;C=C(COC)N(N)C=N;YOJJZRFOKZWZTE-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71675;MM71675;COC(=O)C(C)=CCN;VOUQXKFPLUQLQW-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71676;MM71676;C=COC(CF)C(C)N;RICWGFMMBYTHPE-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71677;MM71677;COC(NC=N)=C(C)C;YXHLJFAKZUTRGZ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71678;MM71678;N#CCC(O)C(F)CCF;DBKXYQRXDXDOHC-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71679;MM71679;CC(C)=C(CN)C(C)C;XEIKNTOLHHRCBR-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3";;;;;;;2.13;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71680;MM71680;C#CC(C=C)N(C)C=N;HTNDXSXANPMEDS-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71681;MM71681;CC(N)C(C)(N)CN(C)C;HGMLEIIOMXYCFB-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71682;MM71682;CC(=O)N(C)CC(C)(C)N;IOSGANIIXKSYLC-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71683;MM71683;COCC(C)C(O)CC#N;FNILTPMCKVLSRI-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71684;MM71684;COCC(O)C(C)CC#N;JUPBZARTOHNOKS-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71685;MM71685;CCN(C=O)CC(C)(C)N;ICSBTEINIFNZFA-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71686;MM71686;C#CC(C)(N)C(C)(C)CN;PYPLVYXPQWEFFK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71687;MM71687;C=CC#CC(C)(N)C(=N)N;NHCDFWPBDZQALZ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71688;MM71688;C=COC(C)C(O)CCO;CGNDMOQIKCZNBX-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71689;MM71689;C=NNC(C#N)C(C)OC;FAQMSRSDDABSBC-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71690;MM71690;C#CCC(N)(CN)CC#C;ZGRUUSLXXRPERJ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71691;MM71691;CC#CC(N)(CC)C(=N)N;HBPBPYAABHZDQW-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71692;MM71692;CC#CC(C)(NC)C(=N)N;PGBYOHCKXFLDEW-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71693;MM71693;C#CC(O)C(=C)C(C)(C)N;MADOMUCGPMCKKY-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71694;MM71694;C=CC(N)CC(N)C(C)F;SVAPZZZEZXBAOY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71695;MM71695;C#CC(C)N(C)CC(C)N;WJSUBXSTCHGBJQ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71696;MM71696;CCN=C(C)NNC=NC;GEWVOEQUVNYICI-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71697;MM71697;CNCC(C)(O)C(C)F;CKMFAQFUDAUHPI-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71698;MM71698;CCOC(=O)C(C)=CCN;KAXQYSFLMODPND-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71699;MM71699;CCNC(C)C(C)(O)CO;FUDKPFXOBHFTKE-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71700;MM71700;CCNCC(C)C(=O)CO;FIOBWJYAOLMURS-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71701;MM71701;C=NOC(=O)C(C)=CCN;RIKSOTVXNDZPOK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71702;MM71702;CC(COCCN)N(C)C;GWEBTLMIXCMQRP-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71703;MM71703;CC=CC#CC(N)C(=N)N;QKJQYAXJQMKGEJ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71704;MM71704;CC(CC#N)C(C)CC#N;NYLFUQXGUXOFBY-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71705;MM71705;C=CCC(C)C(O)CC=O;IKNSPSUBVTYLBW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71706;MM71706;C=C(C(C)N)C(N)C=CF;LDNHJYSPNAQFMB-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71707;MM71707;C=CCC(O)C(F)CC=O;CIYZSXSSTZMKSC-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71708;MM71708;N#CCC(O)C(F)CC#N;CNPYZWCIMYXSCL-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71709;MM71709;CC=CC(C(C)N)N(C)C;XNFIVJFEFRWANZ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71710;MM71710;CCCNCCC(=O)CO;XJVAFMINAFZIGL-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71711;MM71711;CCC(N)(CN)C(C)OC;DEVBIEPTISYERO-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71712;MM71712;C=CC(F)(CN)C(=C)CN;UOKRPZNGQODFRU-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71713;MM71713;C#CCC(C)C(O)CC#N;CFQZUKCZOPVXKP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71714;MM71714;N#CC(=O)ONC(=N)CF;CJTPUZUDGHZRHH-UHFFFAOYSA-N;145.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71715;MM71715;C#CCC(O)C(O)CC=C;YUCZWAYUOHVOSO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71716;MM71716;C#CC(N)(C=C)CNCC;VMASCCBRPIPBNW-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71717;MM71717;C#CCC(O)C(O)CC#C;OEMJPZULRMXSNJ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71718;MM71718;C=CC(N)C=CC(N)C=C;SDHOXSVJNVNGNZ-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71719;MM71719;CNC(=N)C#CC(C)=NN;IPMASYSPSIBUOE-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71720;MM71720;CC(=CCN(N)C=N)CF;BISLNMVGMPOHLX-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71721;MM71721;C=CN(C=N)NC(C)=NC;ZQJYTAHMIYJENC-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71722;MM71722;C=CC(=C)NC(CN)=NC;JONIEKMMRQUBAB-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71723;MM71723;CN=C(CC(C)=NN)NN;PVSVRHFYYZOZDH-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71724;MM71724;C#CC(=C)CC(=O)N(C)N;YGGVZITXWRMGFO-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71725;MM71725;CCC(=CC(=O)OC)CN;NVJYLANYXPKCTQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71726;MM71726;CCCCC(N)C(N)CF;PDFFQGWVUQTWGF-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71727;MM71727;C=CCNC(C)C(N)C=C;ALWUXRFZGNRQMP-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71728;MM71728;C=C(COCC)N(N)C=N;GLINEXSSHTYUJP-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71729;MM71729;C=CC=C(CCN)NC=O;KXPGBDJQPYQKCE-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71730;MM71730;CCC=C(CCN)NC=O;FVTJSTNHDBPHGO-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71731;MM71731;C=C(CN)CNCCCF;PODNGORRDJAQKS-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71732;MM71732;NCC=CC#CC(N)CF;WJYBCRTZFYIMFK-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71733;MM71733;C=C(COC)C(O)COC;HCMICUSGIGPUIX-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71734;MM71734;CC(=NO)N(C)CC#N;NMXBJDIZWBRQHS-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71735;MM71735;C#CC(N)C#CC=CCN;KRIHLNFDTOJKPB-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71736;MM71736;CNC(=N)C#CC=NOC;SBADRYSILJXLNI-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71737;MM71737;COC(=O)C#CC=CCN;BBPYZVCAEMTQOM-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71738;MM71738;CNCC(NC)C(C)OC;DRQBLBVWTKJPNA-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71739;MM71739;CCCC(=O)N(C)CCO;DVABXBSMVJVVKK-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71740;MM71740;C=C(CN)C(CCF)NC;ROSMPQSEXZMWTA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71741;MM71741;CC=CC(=NC=N)NC=O;JUQLWQVWRKCPSZ-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71742;MM71742;CCCN(O)C(=O)NCC;YXZCAOXHUDDQBY-UHFFFAOYSA-N;146.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71743;MM71743;N=CNC(=O)C#CC(F)F;VTNYXQRJLCZEBO-UHFFFAOYSA-N;146.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71744;MM71744;CC#CCNC(=N)CO;PDKPFXPOBVPYES-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71745;MM71745;C#CC(C=CC)C(N)CN;MIGMROYUOXZMRA-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71746;MM71746;CCC(=CCN)C(=O)OC;FMRUBGSUNSGDOG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71747;MM71747;COC(CO)=C(C)NC=N;DNJSFKFHWGRIPM-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71748;MM71748;CCCOC(CN)CNC;YQDURHFCPWDHEI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71749;MM71749;CCNC(=O)N(C)OCC;KMMMYIBEKQFEGA-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71750;MM71750;CC(CCO)C(=O)CC#N;QTKNZEASEFSCIQ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71751;MM71751;CN(C)C(CN)CCCF;ZIZSAPICHDCXFK-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71752;MM71752;CCNCC(=CF)C(C)N;CQJDEUSGNUGNGI-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71753;MM71753;COC(=CC(C)(C)N)CO;RIJYFVOWOVHCPM-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71754;MM71754;NCC#CCC(=CF)CN;SPOBZMJKLCYFCQ-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02684;MM02684;COCC(C)C(=O)CC#N;MXCHGVMAUMVXDE-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71755;MM71755;CCNCC=C(CN)OC;PLHJVSMLJLLSBF-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71756;MM71756;CC=CCN(O)C(=N)NN;FLSMWILJZAZCKJ-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71757;MM71757;C=CNC(=N)C(C=O)OC;FPDDKVVTGRSGDM-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71758;MM71758;C#CC(C(C)N)C(O)CC;PEERFSXNCRHZLU-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71759;MM71759;C=CC(=NO)N(C)N=C;DQRWDNQEFQBGCP-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71760;MM71760;C#CC(C(C)N)C(C)(C)O;RERBFYPEGQVAED-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71761;MM71761;CN(O)C(=N)N(C)NC=N;WFHOGRYHTMZCAH-UHFFFAOYSA-N;145.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71762;MM71762;C#CC(C)C(C)(CO)NC;MLHWFIFKFSWMED-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71763;MM71763;C=CC=CCN;HSFHMJJDUVEWRQ-UHFFFAOYSA-N;83.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71764;MM71764;CN=CNN(C)C;RXNQZNBKYQTTOU-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71765;MM71765;CC(=CCN)CF;MCJXOQDDALLAAM-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71766;MM71766;C=CC(C)=CCN;CCTXGPAZIGYPOM-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71767;MM71767;COC(=N)N(C)C;ZZOOEKIAKNNODL-UHFFFAOYSA-N;102.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71768;MM71768;CC#CCC(C)(N)CO;CHXHLYLZVQZLID-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71769;MM71769;C#CC(O)C(C=C)=NN;GPOHYDQJOONWKW-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71770;MM71770;CCC#CCC(C)(N)CO;VYTKICJHCHDEIW-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71771;MM71771;COCC(C)=CCN;BBRDXQCEPPXWOS-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71772;MM71772;CC(C=CF)=CCN;AZHNQIWLMOYTIE-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71773;MM71773;CC(=CCN)C(C)F;ZPQITWBCPAVBKS-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71774;MM71774;CCC(N)C(N)CF;IKDBEJBMRROJFD-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71775;MM71775;CNC(C)CCC#N;HVRNPFMBTRTREJ-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71776;MM71776;CCC(N)COCC(C)O;MQTFVHFJOKHBAC-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71777;MM71777;CC#CCC(N)CN;PBLQEUFKYKQXRN-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71778;MM71778;CC(C=CCN)=CF;LVKGGNAVOCHWPZ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71779;MM71779;NCC=C(CF)CF;HTZFWGMBEFWBDV-UHFFFAOYSA-N;121.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71780;MM71780;CCCN(C)C(=O)CC=O;JEGFMWAUXXKLQG-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71781;MM71781;C=CNC(=O)N(C)CCF;RODPYUCGPWLZQR-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71782;MM71782;C=CC(C)(C(C)N)C(C)O;GKFKBXSQPMFCAM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71783;MM71783;CC(CC#N)C(=N)NO;GQJNIFXBCJCKIY-UHFFFAOYSA-N;127.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71784;MM71784;CCNN(C)C(=O)CC#N;DOVBDLCXUIKCPM-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71785;MM71785;NCC1(CN)CC1N;ABIFQYFUHYYZGH-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71786;MM71786;CCNCCCC#N;IMINWALBEYQLAW-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71787;MM71787;C=C(C=NOC)NC(C)=O;OOPXYIQPAJIAIF-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71788;MM71788;CCON(C)C(=O)CC=O;COYVSUQYDUXYKK-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71789;MM71789;C=CNC(=O)N(C)OCC;FTRLLHOOCYDCRS-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71790;MM71790;C=CCNCCNC;WVFLUSFFXCJHKV-UHFFFAOYSA-N;114.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71791;MM71791;CNN=CC=CCN;QSZXMSUSUUBDQU-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71792;MM71792;CON=CC=CCN;FHTHTFGSHIKLHW-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71793;MM71793;CCNCC(CO)CO;KSUFHGKOOPEBFQ-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71794;MM71794;C#CCC(C)(N)COC;AWZKOUWRRLEUAE-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71795;MM71795;C=C(N=CNO)NC(C)=N;XUHZSUHSTMNIKM-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71796;MM71796;COCC(=O)C(O)CC#N;WSQMVZDXHHCSMH-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02671;MM02671;COCC(=O)C(F)CC#N;LWZBDNOSDULVDX-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71797;MM71797;COCC(N)CC(C)F;VUYXXUJAQUJRER-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71798;MM71798;C=CC(N)(CCO)CCF;QBMQQQPUHKAUHP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71799;MM71799;C#CC=CC(C)(N)CCO;TVEZCFCKHPNTFT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71800;MM71800;C#CC(C)(C)C(=N)NN;HIWQCORQAVOZJS-UHFFFAOYSA-N;125.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71801;MM71801;C=CC(N)(CN)CCF;MSVUEYOLSVJNOF-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71802;MM71802;CCC(N)(C=CF)CN;PNFWYJIESATIGF-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71803;MM71803;C=C(CN)CC(=O)OC;HZGWUSXGKRWDLM-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71804;MM71804;C=COC(C)C(=O)CCO;YAFHRCUBDFALMK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71805;MM71805;CC=C(CN)CC(F)F;GRVHSDZTEMMALN-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71806;MM71806;CCC(=CC(F)F)CN;TYSOXBDSYPCZPM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71807;MM71807;CN(CC#N)C(=O)CCF;HMSZQGQONZAVMM-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71808;MM71808;CCC(O)(C=NN)CCF;PDBIAYMCZDPBNI-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71809;MM71809;CC(=O)OC=CN=CN;QDXFTPYUJTVOEV-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71810;MM71810;CN(C)N=CC=CCN;GPWCTIMFTMJGDE-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71811;MM71811;C=C(C=CCN)OC=O;QCEJFVAXXYZSNW-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71812;MM71812;CCNC(=O)N(C)CC#N;AMACEMNAMOGCTQ-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71813;MM71813;C=COC(=O)C=CCN;RNWJXHBUIJUHIW-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71814;MM71814;O=CCCNCCCCO;LCNBKIHIQVLDEG-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71815;MM71815;CC(CF)C(C)(O)C=NN;KTMPVHLRSSZCJK-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71816;MM71816;CNNC(=O)N(O)CC#N;NIXVVULOSRJHQW-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71817;MM71817;C=NNCC(C)=CCN;DKQHQMKMODOGRH-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71818;MM71818;CC(=CCN)COC=O;VIKLACUATHMCOB-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71819;MM71819;CCC(C)(N)C(C)NC=O;MLLKPHSDKHGASW-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71820;MM71820;C=NNC(C#N)C(C)(C)O;TYLUHRSYFGCZSR-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71821;MM71821;C=C(CC#N)C(C)CC#N;LYZVWGBPMWPLLL-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71822;MM71822;CC(CC#N)C(=O)CC#N;JMQPUJYPFMGDFH-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71823;MM71823;C=CCC(=C)C(O)CC=O;HUCSEOFTURIDHC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71824;MM71824;C=C(CC=O)C(O)CC#N;DXLKNSIYRTXXGM-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71825;MM71825;C=C(CC#N)C(O)CC#N;HFTXJAFDVUNAAE-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71826;MM71826;C=CCC(O)C(=O)CC#N;DWZWDJLKBNAALE-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71827;MM71827;C=CCC(=O)C(O)CC#N;PGVBJUZKBRPAKN-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71828;MM71828;C=CNC(=O)C(C)CC=O;STTVIQBTJCYLBE-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71829;MM71829;C#CC(C#C)(CO)NN=C;ZYHNIWABEQUTCZ-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71830;MM71830;C=CCC(O)C(=O)NC=C;WLYJGEKNLCPZGE-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71831;MM71831;N#CCC(O)C(=O)NC=O;FBSWGBVZUFHENW-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71832;MM71832;CNN=C(C)C=CCN;ANXVHSXQERBTNA-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71833;MM71833;CCC(N)C(N)C(C)F;KFSTWSKVUZEPOX-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71834;MM71834;C=NOC(C)(CO)CF;HDTCVNADPAWJDF-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71835;MM71835;C=CCC(F)C(=O)NC=N;IKOHMKYBTUZGMJ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71836;MM71836;N#CCC(F)C(=O)NC=N;CCZLSIWIXYVEDW-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71837;MM71837;COC(C)=CC(CO)=NN;XDHVKMBGPQLFLX-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71838;MM71838;CCOC(=NC(C)=N)NO;GGRIUSWHJUYQIM-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71839;MM71839;C=NNC(=O)C(O)CC#N;ADLLWQOQQYYRMU-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71840;MM71840;CNN=C(C)CC(=O)C=O;MPZXZRPIEJVITO-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71841;MM71841;C=NNC(=O)C(F)CC#N;VRXGMGGWVKTCJY-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71842;MM71842;C=CCN=C(C)N(C)N;MZDMJKHXJHAIJL-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71843;MM71843;C=COC(=O)C(O)CC#N;IEVOTJSYNIUSOF-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15729;MM15729;C=COC(=O)C(F)CC=O;ABGHGPCEWZVEGZ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71844;MM71844;COCC(N)CCCCO;CAKSIAOFEJQCTM-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71845;MM71845;CNCC(CCC=O)OC;WGJQFDZOXINKPK-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71846;MM71846;CN(C)C(=N)NOCC#N;AEJUNWNOIQEKSN-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71847;MM71847;C=NNC(=O)C(C)NC=O;ACDOXUVVFMSZNW-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71848;MM71848;C#CC#CC(N)C(=N)NC;PTWSMLVVGKJYSY-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71849;MM71849;C=COC(=O)C(C)NC=O;OUKHYLWPWQBXDL-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71850;MM71850;CC(F)=C(C)C=CCN;ANMMBBBQFQGMJT-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71851;MM71851;N=CN(N)CC=CCF;CMSVXVHRHRXOCJ-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71852;MM71852;C=COC(C)C(=O)NC=O;RGHVQWUBQVOZAP-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71853;MM71853;C=COC=CC(=N)NN;VQIGPQJWZSARCO-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71854;MM71854;C=CN(N)C(=N)COC;JCSZZDAQYYONHN-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71855;MM71855;C=CCN(C)C(=O)CC=O;DKWLEAIGMHBFJQ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71856;MM71856;C#CC=NNCC(O)CC;WPQSHDFFIFIBTE-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71857;MM71857;NCC(=CCF)CCF;ZACDDIKBJIRZGK-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71858;MM71858;C=CNC(=O)N(C)CC#N;KCUBTPAYBQLLSY-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71859;MM71859;C=NNC=C(N=NC)NO;YNAOXIONGYJKAQ-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71860;MM71860;CN(CC#N)C(=O)NC=O;WWWLLQLWPSUYJM-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71861;MM71861;C=CCC(=CCN)CF;HRIHDXGBTMNTJF-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71862;MM71862;C#CC=NNCC(C)(C)O;JUHFVXGNMBXALF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71863;MM71863;C=NNC(CO)C(=C)C#N;KLSJKECPAPQAQH-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71864;MM71864;CCON=CN(C)O;CQLTUHPYHATEKW-UHFFFAOYSA-N;118.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71865;MM71865;CCCON=CN(C)O;LWIDWSVLKUKEMV-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71866;MM71866;C=C(C)C(C#N)C(=N)NC;HYLFQGJXAYEBGB-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71867;MM71867;C=CCN(O)C(=O)NC=C;PQTOXIYTIYBVQD-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71868;MM71868;C=CNC(=O)N(O)CC#N;YDCFQCNUJQVQJE-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71869;MM71869;N#CCN(O)C(=O)NC=N;BTKGSAPNMONVBM-UHFFFAOYSA-N;142.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71870;MM71870;COC(C#CC(=N)N)OC;XTNDMLCPUCFRQF-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71871;MM71871;C=NNC(=O)N(C)CC=O;REKXOUQQKPSWOF-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71872;MM71872;C=NNC(=O)N(C)CC#N;PLGJNZLEDCJQDB-UHFFFAOYSA-N;140.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71873;MM71873;COC(=CC#N)NCCO;DEJXYDWFMAAABT-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71874;MM71874;C#CCN(N)C(=NN)NC;CIXGQNCMKAXTFJ-UHFFFAOYSA-N;141.18;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71875;MM71875;COC(C(C)N)C(C)F;UCFNBTQWYYSSCI-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71876;MM71876;C#CC(CC)(CC)NC;WPJUEUKMFDQCAG-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71877;MM71877;C#CC(C#C)C(=N)NC;IZKJHEQYFMAFMC-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71878;MM71878;CCNCCNCCF;ZBJPFRQOEOEFEN-UHFFFAOYSA-N;134.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71879;MM71879;CC=CCNCCNC;RDKQAFPOGLWLIP-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71880;MM71880;C#CCNC(=NC)NOC;RYWYJMZCYVGHMD-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71881;MM71881;C=NNC(C)(C#N)CCO;HBRQZITYIIENSG-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71882;MM71882;C=CNC(=O)N(C)NC=O;ZKQIYEDCSCFSEX-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71883;MM71883;C=NNC(=O)N(C)NC=O;YLJIOYOVZHMMPN-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71884;MM71884;C#CCC(=O)C(O)CC#N;AMAVEHORFNJDKV-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71885;MM71885;C=NOCC(=O)CCCF;AQETVOYGNXVPPB-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71886;MM71886;CC#CCNNC=NC;FYODTQZVCNQMMX-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71887;MM71887;NCC=CC=COC=O;INPOEGZAZFTUJT-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71888;MM71888;CCC(N)(C=C(C)F)CN;FGJIOTONMGSIDX-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71889;MM71889;C=CC(=NN)C(=N)NC;RLFZZQKBJFPVAP-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71890;MM71890;C#CCNC(CF)=NN;WUBWVOWKEUGBJJ-UHFFFAOYSA-N;129.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71891;MM71891;C=CC=NN=CNC(=N)N;WVPKSCLZEHWIGU-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71892;MM71892;CNCCC(=O)C=CC=O;XOESVJRBJGDVNU-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71893;MM71893;CC(N)(C#CCF)C(=N)N;ONDAQPFLLZSLJH-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71894;MM71894;C#CCN(C)C(=O)COC;HLCVTRSOIUAHGF-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71895;MM71895;C=NNC(=N)C#CC(C)=O;KUFUMHLEJNROFS-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71896;MM71896;CC(C=CCN)=NN(C)C;ZQFIWEBQDVZZSH-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71897;MM71897;CN(N=CCC#N)C(=N)N;URSIHICVZUIYKJ-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71898;MM71898;C#CCN(O)C(=O)NCC;TUZMAYRRRXEQJL-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71899;MM71899;C#CC(C)(N)C(=N)NCC;HPZRDWCJDPYOEW-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71900;MM71900;C=CN=CNC=CC=O;ZAHUHBRYMDCMHT-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71901;MM71901;C#CCC(O)C(=O)CC#N;IMXPTZFNCANQMR-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71902;MM71902;CN(C=N)NC=CC#N;IKOOMIQVKKPIOZ-UHFFFAOYSA-N;124.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71903;MM71903;C=NN=CC(=N)NN=C;VJPVAASMXXNPLV-UHFFFAOYSA-N;125.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71904;MM71904;CC(C#CCN)C=NO;AVMWXIRKAJYCTO-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71905;MM71905;CCCC(N)(C=CF)CN;ACHPGOPPBMLNMJ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71906;MM71906;C#CC(CN)C(=C)C=NO;KBVOJPZLGCYFEA-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71907;MM71907;CC=CC(N)(CN)CCF;MMIJZHVGIZEZMZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71908;MM71908;C#CC(N)(CCC)C(=N)N;NLYYNWCVLGRXKJ-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71909;MM71909;C=CC(N)(C=CF)C(C)N;YIWGOZMNBXQRJI-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71910;MM71910;C#CC(=O)C(O)C(=N)N;BZNRJGWCQUBHAW-UHFFFAOYSA-N;126.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71911;MM71911;CC(=O)ON=C(C)C=NN;LFQXIQAFXWAKQW-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71912;MM71912;C#CC(N)CC(N)C(=C)C;DSAHKGYFQGBXOF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71913;MM71913;C=C(C=C(F)C(C)N)CN;UEZXMIOWABGLRD-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71914;MM71914;C=NN(C)CC(C)=CCN;SUDZEBYAVWGGRI-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71915;MM71915;CCOC(=O)C=C(C)CN;UTIONHNCXTWISU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71916;MM71916;C#CCC(=O)C(O)CC#C;BTRRDDJQJXXWCF-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71917;MM71917;C=COC(=O)C=C(C)CN;RJIKYAHLGXPBPZ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71918;MM71918;C=NOC(=O)C=C(C)CN;VSEJEDLDYAUKLI-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71919;MM71919;CC#CC(O)C(CN)CF;DUALBJWWQKDHRT-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71920;MM71920;N=C(N)NN=CC(O)CO;ACSYALOQAPPWCK-UHFFFAOYSA-N;146.15;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71921;MM71921;CC(F)C=C(CN)CCF;ZCSPLUVVUFUJQR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71922;MM71922;CC(C)=C(CN)CC(C)F;BRLFEHWXZCSZHC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71923;MM71923;CC(C)=C(CN)CC(F)F;LIMWVSVHUOAMRU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71924;MM71924;CCNCCNCC(C)F;CUNPMWOUTXDBPE-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71925;MM71925;C=C(OCC)C(=O)CCO;GVTNTMXWJFOJGQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71926;MM71926;CCC(O)(CO)CC(C)N;YPUAIBISONLOSJ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71927;MM71927;C#CC(=CC)C(O)CNC;OTVSUGDJUJBCOO-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71928;MM71928;C=NNC(C#N)C=NNC;FWHPGWJYLYSDCE-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71929;MM71929;CC(N)CC(C)(O)CO;QVWGYUWMYOTHHX-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15886;MM15886;C=C(COC)C(=O)CC#N;MCIJCNZFMSDUBP-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02659;MM02659;COCC(=O)C(=O)CC#N;CWTKOOIATIMJJH-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71930;MM71930;C=C(CCO)C(=C)NC=O;CFTIEFSPPJFECO-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71931;MM71931;C#CC(NN=C)C(=O)OC;AKRSMGPFINVXJX-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71932;MM71932;C=C(COC)C(=C)NC=O;MTTRLFIJLWNQBT-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71933;MM71933;C=CCC(N)CNCCF;MUNAUPKYPMKQEA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71934;MM71934;C=C(NC=O)C(=O)COC;LLDOVQUMEBUWMW-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71935;MM71935;C=NOCOC(=C)NC=N;GRXLYWYTPJSXOZ-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71936;MM71936;CC=COCC(=N)NNC;LWHXBTNAVBSSLD-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71937;MM71937;CC=NNCC(C)=CCN;FZBUGXRPJORVHO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71938;MM71938;C=CN=C(C)NNC=NC;AEXOEKNFGKGDIE-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71939;MM71939;C=NNC(C)C(C)=CCN;CMLVWOGVNURJGK-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71940;MM71940;CCN=C(N)C(=O)CC=O;ZNGDQCRUTXHMGD-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71941;MM71941;C#CC(=CN)C(=O)N(C)N;PEUXKGTVNWOHTA-UHFFFAOYSA-N;139.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71942;MM71942;C=C(CNC)C(C)=CC=O;ONKWLKDBVKXNPE-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71943;MM71943;CNN=CC(C)(C=O)C=O;VZQXLXBNVIFFLB-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71944;MM71944;CCNCCN(C)C(C)=O;JCALSDWHCDPSJK-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71945;MM71945;CNN=C(N)C(=O)CC=O;PVAWSKAWDZOWLE-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71946;MM71946;C=NNCC(=CC#N)OC;MHLVWUGNHZPCAC-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71947;MM71947;C=C(NC=O)C(CC)CN;QHLYSCQOTUCGAU-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71948;MM71948;CNN=CCON(C)C=O;XKDKJCRRKHGVRE-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71949;MM71949;CNCC=CC(F)CO;YMBPTONZDUKULC-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71950;MM71950;C=C(C)C(N)C(=C)CNC;ZASZCQXVXSUOQD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71951;MM71951;C=CN=CN=C(C)NC=O;NGYCPDPRKQYVJI-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71952;MM71952;C#CC(=NO)N(C)C(C)C;RFBRSEZGPNIJAZ-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71953;MM71953;C=C(NC=O)C(=O)NCC;SXFPCVCZUSPMSJ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71954;MM71954;C=NN(CC)CC(O)C#N;XCLVJYIQANBLLQ-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71955;MM71955;C=NNC(C)(C#N)C(C)O;QGTPEINVYIQXQR-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71956;MM71956;C=COC(CNC)COC;FVVBURBSWNTZRJ-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71957;MM71957;CN(C=CC#N)C(=N)CO;QEFNVSODRVTGBE-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71958;MM71958;C=NN=C(CO)CC(C)N;GRLBPIAAKULMQY-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71959;MM71959;C#CC(C=C)C(C)(N)CO;YYEFVKCAKRSXGZ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71960;MM71960;C=COC(OC=C)C(=N)N;SUICJBBEZBGEEI-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71961;MM71961;C=C(NC=O)C(=O)OCC;KWADKXWQVLDXEI-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71962;MM71962;CNC(C)(CO)CCF;YAVLHZWBWLRRJU-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71963;MM71963;C=NNC(C#N)(CC)CO;LZJAXUZSPUEJAY-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02484;MM02484;C=C(CC#N)C(=O)CC#N;PKVWWCURXHRLNG-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15551;MM15551;N#CCC(=O)C(=O)CC#N;JBTLUNVOPWXGQE-UHFFFAOYSA-N;136.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71964;MM71964;COC=CC(=NN)C(C)O;MMNWGGCACZNRME-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71965;MM71965;C#CCC(N)CC(O)C=C;RIMDKHJSYUDXAU-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71966;MM71966;C=C(NC=O)C(=O)CC=O;GFUBTLDSLROQHA-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71967;MM71967;C=C(NC=O)C(=O)CC#N;HTPSLJAOFWYBTK-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71968;MM71968;C=NNC=NN=C(C)CO;FXYIDLXJVGLWMH-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71969;MM71969;C=CNC(=O)C(=O)CC#N;FDQUSIGDFZFQCR-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71970;MM71970;CC(C)(CC#N)C(=N)NO;UTUSRVZSCNKKIM-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71971;MM71971;C=NNC(=O)C(=O)CC#N;BWGZBCBSGOCQNW-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02501;MM02501;C=COC(=C)C(=O)CC#N;WJWVGDDNQCQMEO-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02786;MM02786;C=NOC(=O)C(=O)CC#N;BRPPESSCZHFKHN-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71972;MM71972;C#CC(CO)C(C)N;JTBUSTXYUHLGEI-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71973;MM71973;CC(C)(F)CC(N)CO;IDGOXQYHOFKAMG-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71974;MM71974;C=CN(O)C=NOC;HYPDILQCHUEZOL-UHFFFAOYSA-N;116.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71975;MM71975;CC#CCNN=CC(C)O;RHKVJTWNSDPMHE-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71976;MM71976;C#CC(C)(C#C)C(=N)NC;QUTIVTJOYUAEFU-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71977;MM71977;C#CC=NNC(C)C(C)O;DVTSTTUDECFTIH-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71978;MM71978;CC(C)(C=O)NN=CCO;KETUVDIQJWJFLA-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71979;MM71979;C#CC(CNC)C(=C)CO;XYQRVUBOYMYNIG-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71980;MM71980;N=CNC(=O)C(=N)NC=O;GEHIQCMLOMQRLC-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71981;MM71981;CC(C)=NOCCO;SJTCPULGRKWPDM-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71982;MM71982;CC#CC(=N)NCC(C)O;NGBYENCXHRXKFN-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71983;MM71983;C=C(N=CNO)C(=N)N;QTWYCYMRQIYROX-UHFFFAOYSA-N;128.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71984;MM71984;C=CNC(=O)C(=O)NN=C;OFIVXVNOIGCGNS-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71985;MM71985;CN(O)C=NOCCC#N;NZFODRALMGGOAI-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71986;MM71986;C#CC(=CN(C)C=N)OC;UGKXSWHVHJCYKQ-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71987;MM71987;CCC(N)C(N)C(F)CC;GOTJTVYALBOLDZ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71988;MM71988;C#CCOC(=O)C=CCN;VUFVOADJTTXHOK-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71989;MM71989;C#CC(OC)ON=CNO;AKMQHMWFAWNMED-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71990;MM71990;C=CNC(=O)C(=C)OC=O;LFJIMMQTDWDTFY-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71991;MM71991;C#CC(C)(C=NN)C(N)=O;IPIVUUBVRSNOII-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71992;MM71992;C=COC(=O)C(=O)NC=N;YMDDHEMNLUKUNC-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71993;MM71993;C=CC#CC(C)C(N)CN;FUTSPAKESPXYCL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71994;MM71994;O=CC=CNN=CCCO;MKXOFHBQWQQSMK-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71995;MM71995;C#CC(CN)C(F)=CF;XHYKAYILXAFRPX-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71996;MM71996;CC(C)CN(C)CCO;AHZMWLPRMPNBHX-UHFFFAOYSA-N;131.22;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71997;MM71997;C#CCC(=O)C(=C)NC=O;PHUBARBXFXGGSU-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71998;MM71998;NCC(N)CC#CCCF;TWORHIKEGWSRSR-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM71999;MM71999;C#CC(=NN)C(=C)CCO;XDNIBKJBGYITNZ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72000;MM72000;C#CCC(=O)C(=O)NC=C;JKASFBBXMPJAFY-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72001;MM72001;C#CCC(=O)C(=O)NN=C;VIMPDZIAXJOTJK-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72002;MM72002;C=NN=CC=CN(N)C=N;RMWOJQUVYHQSBQ-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72003;MM72003;COC(=O)C=CC=CCN;QPJDJAMIUCAVLL-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72004;MM72004;C=NOC(=O)CC=NNC;DZCKLBUEYXRJKH-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72005;MM72005;CCC(N)C(=CF)CNC;ZKTCETNSCXQXRM-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72006;MM72006;CN(C=O)C(=CF)NC=N;ULYYRXMAAATJOX-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72007;MM72007;CCC=C(CN)C(F)CN;JGUVUDSBIDCCSU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72008;MM72008;CC(C)(C#CC=NN)CO;BWUROSPQIGVYEO-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72009;MM72009;C#CC=C(C#C)N(C)C=N;WLDZZMHGTSKSQZ-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72010;MM72010;CCNCC(COC)NC;GLMYIFQXTBICNL-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72011;MM72011;CC#CCC(N)CCO;JOQYMWIXHNSXTN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72012;MM72012;CC=COC(CN)CNC;NFTXAPFNYYHCFP-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72013;MM72013;C#CC(C=NN)CNCC;OTBOKIYUMNTLFN-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72014;MM72014;C#CC(C=C)C(N)CCO;MGUZYAJTCCSXOH-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72015;MM72015;CNC(=N)NN=CNN;JUMXPHCLQQLSKJ-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72016;MM72016;C=NNCC(=CCN)CF;WRGZTEHTHHTOAX-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72017;MM72017;CNN=C(C=CCN)CF;SGFAQXHIBIMRHS-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72018;MM72018;CC(C=CF)C(C)CC=O;NONFTQDRJZNMHL-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72019;MM72019;CC(CC=O)C(O)C=CF;SSUSVPAFDREDSH-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72020;MM72020;CON=C(C=CCN)OC;JNKGZGHQUONUCI-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72021;MM72021;C#CC(C#CCN)=CCN;OJVRATUJYBOGHX-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72022;MM72022;C=C(CNC)C(C)=CCO;ASVGTEIBQBMVNZ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72023;MM72023;C=CCC(=CCCF)CN;QIXHDSHLYFIUTP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72024;MM72024;C=CC(CN)CNC(C)=O;QSPSZIBGHHMPRF-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72025;MM72025;CC=CC(O)C(C)NC=O;QCVVVZOHTVAYMG-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72026;MM72026;CC#CC=C(CN)CNC;QTCCWHFLOZUOOL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72027;MM72027;C#CC(NCC#N)C(=N)N;RQWHFIHUQXFBRW-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72028;MM72028;CNC(=NC=N)N(N)C=N;WJBXTZBIPVVFHB-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72029;MM72029;CCOCC(C=O)CNC;MDKYSKRCNZVCGW-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72030;MM72030;CC=COCC(CN)NC;FQTMTBBAEXDQIG-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72031;MM72031;CC=C(CN)CC=NNC;BYOOOEDYXFHBNB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72032;MM72032;C=CC(=CCCO)CNC;DBZBECSMWIKGFX-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72033;MM72033;CNCC=CCCC(N)=O;XZUNJFCREGNFBJ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72034;MM72034;C#CCC(O)C(C)C=NO;DPPSAPMBFXTRBQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72035;MM72035;C=NNC=NN=C(C)OC;BOGWNAXZSMGGFT-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72036;MM72036;C=NNC(=NC)C(C)=O;XTOGHEWCDRSBFY-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72037;MM72037;C=CC(=CC#CCN)CN;MIOUNXKTHVEZQG-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72038;MM72038;CC=C(CN)C(F)CNC;CGAXNGKFJPSWBF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72039;MM72039;CCOCCNCCNC;CUTCQTWBLVIKNC-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72040;MM72040;C=CC#CCNNC=NC;BGRYIMOSPIVTRW-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72041;MM72041;CN=CNNCC#CC#N;PYKZNQYBXOTCCR-UHFFFAOYSA-N;136.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72042;MM72042;COCOC=CC=CCN;SEUSBVFOTGPBLJ-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72043;MM72043;CNCC=CCCCO;OUXRVKUNXBQWOE-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72044;MM72044;C=C(CCO)C(=C)CNC;KJLQKGGGELNQOO-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72045;MM72045;CNCC=CC(C)CCO;CDECXAUTVWMKJF-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72046;MM72046;CNCC=CC(C)CO;CIFCMTPYPBOAFP-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72047;MM72047;CC=CCN;QFUSOYKIDBRREL-UHFFFAOYSA-N;71.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72048;MM72048;CNCC=CCC(C)O;WDEVFGVJIIPQMN-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72049;MM72049;CC(C)=CCN;PFCBHFDNVFQUJI-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72050;MM72050;CC1(N)CC1N;OFGPADUXZCUDRS-UHFFFAOYSA-N;86.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72051;MM72051;CCCN(O)C(=O)C=CN;JUQVMYXMZPFTLG-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72052;MM72052;NC=CC(=O)N(O)CCO;BAQOKVYBINXGAS-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72053;MM72053;CCC=CCN;IAWXHEPLJXAMSG-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72054;MM72054;NCC=CCF;VNWNOELYUQSTIS-UHFFFAOYSA-N;89.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72055;MM72055;C=CC(F)C=NNC(=N)N;YOWOIRRSEMRUBT-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72056;MM72056;C#CC=NNC(=N)NC;PXDAAXXRBMKKTI-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72057;MM72057;CC(C#N)C=NNC(=N)N;LYOKOHKQBLWWOO-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72058;MM72058;CC(N)C1CO1;WBIXZPFTDIBNKH-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72059;MM72059;N#CCC=NNC(=N)N;AVKIYQMXYJTSSQ-UHFFFAOYSA-N;125.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72060;MM72060;C=NNC(C=O)=NCC;RCFUWNJLTOUXEI-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72061;MM72061;CC=CC(=O)N(O)CC=O;CQNNRFXBTICOND-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72062;MM72062;CN(CC#N)C(=O)C=NO;SXVDZHFHQGMOKF-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72063;MM72063;CC=CC(=O)N(C)NC=O;YNHAZERSDHPBFR-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72064;MM72064;CN(OC=O)C(=O)C=CN;PNWPBCXQVREZBT-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72065;MM72065;C#CCC(C)C(=O)C=NO;ZGXQCIFCVWYQHF-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72066;MM72066;C=NNCC=NNC(=N)N;SKVJGRSOGVPBHZ-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72067;MM72067;CNCC(C)=C(C)CC=O;CCKAVKWULJUWNK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72068;MM72068;CC(C)C=CCN;VZGNGZHVERZLQY-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72069;MM72069;C=C(CCO)C(O)C=CF;SNXKYXIZIGWHPW-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72070;MM72070;CC(F)C=CCN;XCJOZVHNFIOOGN-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72071;MM72071;C=NNC(=N)C(=O)CC;KVASYTSOCSYUCB-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72072;MM72072;C=CC(=NNC)OC;MHOXBIOSJXFRHM-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72073;MM72073;CNCC=CC(C)C(C)O;GRNYHDJPSFQQOS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72074;MM72074;CCOC(=O)C(C)C=NO;FBKOOSLTCLQRAA-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72075;MM72075;CC(F)=CNC=N;QDKPTNXIKVMJIB-UHFFFAOYSA-N;102.11;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72076;MM72076;C#CCC(N)CN;QFZQCTUENBYWEF-UHFFFAOYSA-N;98.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72077;MM72077;C=CC=C(C)CN;ZKGVDYYBUNEFNC-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72078;MM72078;C=C(CN)C(C)C;LJHQPNUBIYJRDE-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72079;MM72079;CC(C)=C(C)CN;BOECHSSNNYQCRI-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72080;MM72080;CC(N)C1(C)CN1;GQFQCONKAIVSEE-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72081;MM72081;CC=C(CC)CN;WERVTHVTZFSBQI-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72082;MM72082;C=CC#CC(C=O)C(=N)N;NDNCANSTKFYRRP-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72083;MM72083;N#CC=C(N)NNC=N;RBLCELPVOQSMSC-UHFFFAOYSA-N;125.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72084;MM72084;CNCC=CCOC=NN;NQACJVKJMIXTCV-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72085;MM72085;CC(F)C#CC(CN)CF;SFAULXSIORAOAF-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72086;MM72086;C=NNC=NC(=C)C(=N)N;LRSQUFVBQVYTJZ-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72087;MM72087;C=C(COC)N(O)C=NO;YTFQJWIHRJANIP-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72088;MM72088;C#CC=NNC(=N)C(=N)N;RNBJOYIWXJSEAG-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72089;MM72089;C#CC(CC(C)N)=NO;ZLRGNETWKUQYFG-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72090;MM72090;COCC=CCN;FFDXRXAPBWZNPY-UHFFFAOYSA-N;101.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72091;MM72091;C=CNC(=NC=N)ON=C;QQAFQKJJSOWVCB-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72092;MM72092;C#CC1CC1NC;MXANEDOGPMRTLH-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72093;MM72093;C=NNC(C)(C#N)COC;CUCRKYRATSLDHZ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72094;MM72094;C#CC(=O)C(C)(O)C(=N)N;KXOQEYFBHBRECR-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72095;MM72095;C=C(CN)CC(F)F;OARJDRXEBPNKGY-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72096;MM72096;CN(C)N=CNC(=N)C#N;VTOZWDAECIMQBF-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72097;MM72097;CC(F)C=NNC(C)C;IKOCLVRLVRDUHH-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72098;MM72098;CN(O)C(CC#N)=NC=N;PVCNAQCZPKSKNF-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72099;MM72099;CC(=CC(F)F)CN;FHYIXVHYJZNUJA-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72100;MM72100;C=C(C)C(CCNC)=NO;IMSAYGUKNPAAIV-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72101;MM72101;C=C(F)C=C(C)CN;LBMYDUUWNTXUTR-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72102;MM72102;CC(C=NO)C(=O)CC#N;XLQBITXGZYZFQP-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72103;MM72103;CC(=CCN)CCF;JTESDHIHLMWNMV-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72104;MM72104;CN(O)C(=NO)N(C)O;QZGKRTQDAOOJJQ-UHFFFAOYSA-N;135.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72105;MM72105;C#CC(O)(C#CC)CCN;DLIZDAJNGFDVPU-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72106;MM72106;CC(=O)NN=CCC(C)N;KZMVBAXJRLEKBA-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72107;MM72107;C#CC(C)C(=N)NN;ORLCOXJQZZUGGN-UHFFFAOYSA-N;111.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72108;MM72108;C#CC(C)(O)C(=N)N;OCDNOOWZDSFSKE-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72109;MM72109;C=C(OC)C(=O)NC=N;LFWPWSQNIUWQBJ-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72110;MM72110;C#CC(O)C(=N)N;HUFOULCGBQBWRY-UHFFFAOYSA-N;98.11;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72111;MM72111;CC=NNC(=O)NNCC;ZEJNTCWCCLNMJN-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72112;MM72112;C=NNC(=N)C(N)C=NO;DUNGTRGQLFNVSQ-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72113;MM72113;C=NNC(=O)C(F)C=NN;MUTBLDIPYCRLDJ-UHFFFAOYSA-N;146.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72114;MM72114;C=C(CN)CC=CF;WOZPCQKNMZBEIP-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72115;MM72115;CC=CN(C)C(=O)CC#N;ZTJZRAVQPZETBK-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72116;MM72116;CC=CN(O)C(=O)CC=O;WIYJFWSUHGZOOT-UHFFFAOYSA-N;143.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72117;MM72117;CC=CN(O)C(=O)CC#N;GJAZOWWLPRJKBL-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72118;MM72118;C#CC(O)C(C=C)=NNC;ODVMRCCQZVARHB-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72119;MM72119;NCCC#CC#CCO;RDUQVOIHMJXVGA-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72120;MM72120;C=C(F)C(C)(O)C(C)N;FJUJIIUDPZRSIS-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72121;MM72121;C#CC(O)C(C)(C)C(C)N;PNMCHDIVXBXTHE-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72122;MM72122;CNC(=O)ON=CC=NN;BYQQEYKFVOPCCY-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72123;MM72123;CC(O)C#CC#CCCN;RDPRIRNUVRXDLA-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02924;MM02924;CC=NN(C)C(=O)CC#N;QEFHYTHTJRJPCM-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72124;MM72124;CC(C=CCN)CF;ONMCUYNSUBCLRI-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72125;MM72125;COC(C)C=CCN;SINNDVKWFATMKI-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72126;MM72126;NCCC#CC#CC(N)=O;YKXVERXBMBSPTC-UHFFFAOYSA-N;136.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72127;MM72127;C#CCC(N)(CO)CC=C;GKNNZDKFVPUHOV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72128;MM72128;CC(=CC=CF)CN;XLCXEFYEQHBKSK-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72129;MM72129;CN=C(NN)N(C)O;MUSFZBSDAAEOGZ-UHFFFAOYSA-N;118.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72130;MM72130;C#CCC(C)(N)CO;OLSAEBUYGXQFDB-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72131;MM72131;C#CC(C)=CNC(=N)NO;OYMQHADOMJBOEB-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72132;MM72132;C#CC(C=O)(CO)NN=C;RCPYSCIEURGEOS-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72133;MM72133;CC=CC(CN)NC;YGIHRFPLSTVMJO-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72134;MM72134;CCN=C(NO)C(=N)N;HQWVFXYBAWIPNK-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72135;MM72135;C=CNC(=O)N(O)C=NC;CEGZWHVHHMYCMM-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72136;MM72136;CC=C(C)C(=N)NO;BCYJEWRNOYCJPF-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72137;MM72137;CC=CC(=N)NO;OMNNOACKEKNERU-UHFFFAOYSA-N;100.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72138;MM72138;C=NNC(=O)N(C)C=CC;BLBKWDZVJZGGIX-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72139;MM72139;CN(CC#N)CC(F)CO;JSHMTGQFOUTGJO-UHFFFAOYSA-N;146.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72140;MM72140;C#CCC(C)(CO)C(C)N;AGPNRVNICZMGQB-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72141;MM72141;C#CC(=N)NC(C)CO;PXMOSHBQAKAGDH-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72142;MM72142;C=NNCC=CCN;JNAFXQZLDPTEBD-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72143;MM72143;C=NOCC=CCN;UDKZFQDSORPJLC-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72144;MM72144;CCC(F)CC(N)CO;GUXAWUBGTSULLR-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72145;MM72145;CC(C)C(F)CC(N)CO;XLUXJUPHWBWBTG-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72146;MM72146;CC=NN(C)C(=O)NC=O;OVURXSVZCAGQHR-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72147;MM72147;C=CCC(F)CC(N)CO;VUEMSDYLWJSJCJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72148;MM72148;C=NNC(=O)N(C)N=CC;BUKXBTKIIXYCBF-UHFFFAOYSA-N;142.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72149;MM72149;CCOC(CO)C(C)=NN;MJXGKMYWQILDEE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72150;MM72150;C#CCC(N)C(C=C)CO;LSBZCHSCVRGHFB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72151;MM72151;C=NOC(=O)N(C)C=NO;AWFLEZCXOWAVJR-UHFFFAOYSA-N;145.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72152;MM72152;C=C(CN)CC(C)(F)F;BFIKUVPYQNTNSN-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72153;MM72153;CC#CC(C)(N)CNC;JCGLQPIDZIFPBL-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72154;MM72154;C#CCC(=O)C(C)C=NO;TZEDALKSBAPIIE-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72155;MM72155;C=NNC(C)=NN=CCO;CQJAHPKYBRHGFJ-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72156;MM72156;C#CC(=N)N(C=C)C(N)=O;JODZCMMPMZONRD-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72157;MM72157;CN=C(CC(C)O)N(C)N;XOAITULMWFDPLU-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72158;MM72158;CNCC(C)=CCC(C)=O;LEYUKAUJUJEYEE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72159;MM72159;C#CC(C)NN=CCO;MGDJYGPJGXATTQ-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72160;MM72160;C#CCC(=N)N(O)C=NO;ITVGVNGFRFOKPK-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72161;MM72161;CC(=CCN)CC(C)F;NGNHEIMZXBTDQC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72162;MM72162;CC(N)(C=CF)CCCO;VJHXUVSKSLMJSO-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72163;MM72163;C#CCC(=O)N(C)C=NO;VBGZTXXZFKXMJM-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72164;MM72164;C=CC(=C)C(C)(N)CN;CXQAINATHHXKSF-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72165;MM72165;O=C(C=CF)C(=O)CCO;QKZREGQWYFGJMC-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72166;MM72166;CC#CCNN=CCO;HRYXPJDCUNYOHV-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72167;MM72167;C#CC=CC(C)(N)CN;PZEIJIGKRRBLEY-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72168;MM72168;CC(=O)NC(C)(C)CCN;PYSHUUQVMDQELN-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72169;MM72169;NC=CC(=O)C(=O)CC=O;RTPTXUCSJFZLOG-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72170;MM72170;C=C(CC=O)C(=O)C=NO;GLWAQJILZFTWNN-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72171;MM72171;C=C(CC#N)C(=O)C=NO;QWRZQTZBUNOCOB-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72173;MM72173;C=C(C=NO)C(=O)CC=O;WKSKTRAUJJUVPF-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72175;MM72175;C=C(C=NO)C(=O)CC#N;ICVGMTIWVQEODD-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72176;MM72176;O=CCC(=O)C(=O)C=NO;RSLUYRZVEIUBMS-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72177;MM72177;N=CNC(N)=NC(=N)C=O;FBLNRUFROBWZAN-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72178;MM72178;CCC(C)(CCN)NC=O;JKJSADUJLFYYMY-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72179;MM72179;C=CNC(=NC)NN=C;BSNIKFAZOJVSLJ-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72181;MM72181;C=NNC(=O)C(=O)C=CN;PVUBDXOGBADHCY-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72183;MM72183;C=NNC(=O)C(=C)C=NO;WEBOSSAOMQAAOV-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72184;MM72184;C=COC(=O)C(=O)C=CN;IJPIHFJHCZBDFT-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72185;MM72185;C#CCC(=C)C(=O)C=NO;VZUCHEUAMVZGKV-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72186;MM72186;CNC(NC=N)=C(F)C#N;DFNRSAHPQOTBBB-UHFFFAOYSA-N;142.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72188;MM72188;CNC(C)(C)C=CC(N)=O;FKZCODCOWFFUBU-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72189;MM72189;C=C(CCC=O)CNC;RPPWPEUTKBLARL-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72190;MM72190;CC#CC(C)C(O)CCO;HXSSFXCYOZVDRE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72191;MM72191;CC#CC(O)C(F)CCO;ORHJDXANUCRNIY-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72192;MM72192;C=C(CN)CC(F)=CC;PXIMOYDWOACNFW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72193;MM72193;CC(C)ON=CN(C)O;UMHOMLWZXLNETE-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72194;MM72194;CC(=CC(F)=CF)CN;VSKBNPGPZITWJD-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72195;MM72195;C=C(CN)CC=C(C)F;FCXBDMBYFILQGE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72197;MM72197;CC#CC(O)C(O)CC#N;OGAPULITMGCEQZ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72198;MM72198;CC(=O)OCC=CCN;ZNFAXOFZASYZEX-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72199;MM72199;CNCC(C)=CCC=O;FAQCXVKBHLXNTO-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72200;MM72200;CC#CC(O)C(C)NC=O;XFJBOOFPUBRILL-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72202;MM72202;C=NNC(C)C=CCN;XUHNIXVRCILNLF-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72204;MM72204;C=C(C#CC)C(O)CCO;DWWZGSJDRQTRGR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72205;MM72205;CNCC(C)=CC(C)C=O;FUBKYBNWLWVMLL-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72206;MM72206;CC#CC(=O)N(C)CCO;OIXKJDXGHPAQKH-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72207;MM72207;C#CC(=O)C(C)CNC;NMXSTFUIBDGYBG-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72208;MM72208;COC(C#N)ON=CNO;LGNDKAITPOJPLR-UHFFFAOYSA-N;145.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72209;MM72209;C=C(C)CN(N)C(N)=O;CODLISMRPKINIS-UHFFFAOYSA-N;129.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72210;MM72210;CC#CC(=O)N(C)CC#N;AIYYJFXYRNTNNL-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72211;MM72211;N=C(N)NC=NOC=O;PRNVXFLRXGJVPC-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72212;MM72212;CC(C=CCN)OC=O;DJHYOUQJHXQSGC-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72213;MM72213;NCC(C#CCF)CF;BIKPWWYCUYFERZ-UHFFFAOYSA-N;133.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72214;MM72214;COCC#CC(CN)CF;NISIADXAFCQTMR-UHFFFAOYSA-N;145.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72215;MM72215;CC(C=CF)C=CCN;MDOGGWNESWUTJN-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72216;MM72216;C=C(CCO)C(O)C#CC;WBVQDHVLJVIHSR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72217;MM72217;CC(=CCN)CCCF;JEYBFNISPMJLOC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72218;MM72218;CN=CNN=CCC(C)N;CVLRVTKYMHIPLO-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72219;MM72219;CC#CC(O)C(=O)NCC;LOWRTKBGKFPSHN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72220;MM72220;CC(=N)NN=CCC(C)N;IOAJCFMEDDHLEV-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72221;MM72221;C=C(NC=O)C(O)C#CC;JRCWPWVSYIKMMW-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72222;MM72222;C=C(CCC(C)=O)CNC;MIQPSKWTHSMWOY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72223;MM72223;CC(=NO)C(F)=CCN;UUKGGESQVMYLQP-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72224;MM72224;CC=CCN(N)C(N)=O;PDTLVSAGINPLFF-UHFFFAOYSA-N;129.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72225;MM72225;C=C(CC=NO)C(C)NC;YTXWOQIJZZDXSE-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72226;MM72226;C=CNC(=O)C(O)C#CC;GEIMBPCKARIAFK-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72227;MM72227;C=C(CC)CN(N)C(N)=O;KFEODBIVUSJOAN-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72228;MM72228;CC=C(C)CN(N)C(N)=O;XXQPXXIHZKNJAE-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72229;MM72229;C=NNC(=O)C(O)C#CC;DBXIBIGTUDGDEM-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72230;MM72230;COCCC(C)=CCN;RJJXEWZVSBYRDR-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72231;MM72231;C=C(CN)C(C)C(C)F;NABSPKSSHQSHLE-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72232;MM72232;CC(C)=CCN(N)C(N)=O;PYXNBFGSXAAZTG-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72233;MM72233;C=CC(C)(CN)CC=NO;GTNYYPIBAKWPFV-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72234;MM72234;C#CC(O)C=NNC(=N)N;QOKLHLOBPLVWID-UHFFFAOYSA-N;140.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72235;MM72235;C=C(C#CC)C(=O)NC=O;SAQIOUMJEHOMMH-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72236;MM72236;C=CC(N)C(=C)C(C)N;YLAKMRXNUHKAQW-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72237;MM72237;CC=CC(=O)C(O)C=NO;OOLABGWMJIQFKY-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72238;MM72238;NC=CC(=O)C(F)C=NO;XSHYUVNWJCXPOH-UHFFFAOYSA-N;146.12;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72239;MM72239;C=C(OC)C(C)(O)C(C)N;YXSUNNHGHODYPU-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72240;MM72240;CC=C(C=NNC)C(N)=O;LXGBMMBKAHJJMN-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72241;MM72241;C#CC(C=O)C=NNC;AMZOTVJVTVUFPC-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72242;MM72242;NC=CC(=O)N(O)C=CF;KOFKGFAJZCEGBF-UHFFFAOYSA-N;146.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72243;MM72243;C=C(NC=O)C(=N)NC=N;ACRIFAKJNYAHCB-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72244;MM72244;C#CC(C#C)C(O)C(C)N;OSQMEWYQMMWMHK-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72245;MM72245;C=COCC(O)C(C)N;NOPWAXLILJUKMJ-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72246;MM72246;NCC=CCC(F)CF;VAOMVVLXQOALDC-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72247;MM72247;C=CN(C=NN)N=C;QIYPJINVYSJWBS-UHFFFAOYSA-N;112.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72248;MM72248;NC=CC(=O)N(N)C=NO;ZYFHFTMPCGVEQS-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72249;MM72249;NC=CC(=O)N(O)C=NN;ZGFFZWCDEKQJTD-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72250;MM72250;CC#CC(CF)N(N)C=O;BUJZYSHTGODQRE-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72251;MM72251;C=C(C=NO)N(C)C=NO;XOOCBGBESMQUGD-UHFFFAOYSA-N;143.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72252;MM72252;COC(=O)CC=CCN;LXRZFAQGLFLJSI-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72253;MM72253;C#CC(CF)NN=C;GEPJORSONUNYJX-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72254;MM72254;C#CCOCC(O)C(C)N;BFDPCEFRZSMGBO-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72255;MM72255;CCNN=CC(C)C#N;LHQOWSWGALKXPT-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72256;MM72256;C=NN=C(C=O)CON=C;BINHUZIIPQLLDM-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72257;MM72257;N=C(C=NO)N(O)C=NN;OEFCSSWYOPFSLR-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72258;MM72258;CNCC(C)(C)C(O)CO;CPOWWBKGBIFPFN-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72259;MM72259;C#CC(=CF)C(=O)NC=N;LCDXZJSFJKYDJO-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72260;MM72260;C=CC(O)(C#N)CNN=C;UDTKPXBRGXEVAC-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72261;MM72261;C=C(C=NO)C(=O)C=NO;GYHPEYSTZSOEQK-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72262;MM72262;C=C(CN)CC=NOC;NHJULWGTTYVHCM-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72263;MM72263;C=NNC(=NO)NOCC;YMBGKFRBORIQTB-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72264;MM72264;CC#CC(=O)C(O)C=NO;LCWZCEFYDXUBCC-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72265;MM72265;C=C(F)C#CC(=O)NC=N;GAFCBNOLVJHBDA-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72266;MM72266;NN=CC=NNC(=O)CO;DKOYMZVNPNQVEK-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72267;MM72267;CC(C)=C(C)C=NO;VCFGQEYBXHPIRB-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72268;MM72268;CNNC(=O)N(N)C=O;XPACRYKJGMSNEU-UHFFFAOYSA-N;132.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72269;MM72269;C#CCNC(=N)C(C)(C)O;FBOHZKVXVCHZMD-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72270;MM72270;C#CC(=C)C(=C)CNC;KXYNKRYMEJMFRD-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72271;MM72271;C#CC=CC(=O)NC=NC;WMGYMAMOKAZPJV-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72272;MM72272;CC(O)C(=N)NC=CC#N;NTVFPZXCXZKKBM-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72273;MM72273;CC#CC(=O)N(O)C=NC;RXGVMVSJAMRVHI-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72274;MM72274;COCC(OC)C(C)N;VLQGAUDWMOCJSK-UHFFFAOYSA-N;133.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72275;MM72275;CN=C(NO)C(=O)NN;DTPZDTVTXILRHT-UHFFFAOYSA-N;132.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72276;MM72276;CCC(N)C(CF)NC;RSJCHGRWYJDZOJ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72277;MM72277;C#CC(C#C)C(C)NC;AEOUZKFWPVMXFN-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72278;MM72278;C=NNCC(=C)C(O)C#N;RZMDTHMDMZUNBA-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72279;MM72279;CC(CN)=C(CF)CF;FOPVPCOLZUWCHR-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72280;MM72280;COC(C=CCN)CF;DINJBJDPPJQBAT-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72281;MM72281;C#CC(C=CCN)OC;OLTQDXXXELHYQI-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72282;MM72282;NCC=CCOCCF;WCQVFYNWQYUWLT-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72283;MM72283;C#CC=CN(O)C(=N)N;OJPMEWGHKSGRAN-UHFFFAOYSA-N;125.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72284;MM72284;NCC=CCCOC=O;MSAFYQPGPDWPFP-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72285;MM72285;CN=CNCC#CC=O;XZLKOCHXCDMDRP-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72286;MM72286;N#CC=C(F)C(O)CCO;MCHSFFYVLQMPBP-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72287;MM72287;C=CC(C)(C)NNC=NC;VPJBCGZGLXXZJW-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72288;MM72288;COCC(O)C(C)=CC=O;WYTBUSWZMSVEPE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72289;MM72289;C#CC(O)C#CCNN=C;GINACIQSTTVJCK-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72290;MM72290;COCC(F)C(N)=CC=O;BHGSSVCROHOWLS-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72291;MM72291;C#CCC(N)C(C)(N)C=C;FVSRMZNDKROEJM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72292;MM72292;C=C(C=CC)C(C)(N)CN;PROFUZXZCXUGKD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72293;MM72293;C=C(C=CF)C(C)(N)CN;MKBFTZYFFVUQMU-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72294;MM72294;C#CC(C)(NCC)C(=N)N;YCFDNUPCPOYSBN-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72295;MM72295;C=C(C)C(N)CC(N)CF;MWKZYLPFRCRZNB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72296;MM72296;CNNC(=O)NN;GNWLDEDHYUOIDF-UHFFFAOYSA-N;104.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72297;MM72297;CNC(C)CN(C)C(C)=O;JEOOZIIBAOUYSH-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72298;MM72298;C=CC(N)CNCC(=C)C;RCKHMYNWAVYPTC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72299;MM72299;COC=C(C)C(O)CC=O;JWGVTRRMUPSSJO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72300;MM72300;C=C(CN)CC=NN(C)C;YUNAVQKDDVGEJO-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72301;MM72301;C=C(CN)CC(=C)OC=O;ZPGMQNZVXATTOO-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72302;MM72302;COC(=O)CC(C)=CCN;VTGUBSOQHMWVBF-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72303;MM72303;CC(=CCN)C=C(F)CN;VLJXYDDQWBGERT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72304;MM72304;C#CC(O)C(=NN)C(=C)C;WEPNSLVUXSMBHJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72305;MM72305;C=NNC(=NOCC)NO;YMBGKFRBORIQTB-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72306;MM72306;CC=NOCC(C)(O)C=O;RFZWCTNBVHMEOH-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72307;MM72307;C=CC(C)(O)C(C)=NNC;NZEJFEVSQKCNMD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72308;MM72308;C=C(CO)C(CO)=NNC;QTDPEMCOQWFQGV-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72309;MM72309;C=C(C)OC(=CCN)CN;OMXCHYOHSPETNX-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72310;MM72310;CNCCNCC=C(C)C;IBAASOGKUIKJMS-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72311;MM72311;CC(=CC#N)C(C)CC#N;BBKKQBAFHPLMNH-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72312;MM72312;C#CCOCC(N)CCF;IEOMLVVOCITVQP-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72313;MM72313;C=CC=C(C)C(O)CC=O;FJLLHWPFCVDTIJ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72314;MM72314;CC(=CC#N)C(O)CC#N;QRZGEJACBAQTAL-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72315;MM72315;CCC(N)(CO)CC(C)O;RBUXBECMMCFRDB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72316;MM72316;N#CCC(O)C(N)=CC=O;JDJSMUYYIYUYAN-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72317;MM72317;CC(CO)ON=CCCO;BRNREJVYNTVRSG-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72318;MM72318;N#CCC(O)C(F)=CC=O;RUYKJFBAWMROTE-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72319;MM72319;N#CC=C(F)C(O)CC#N;XJVSQTJTBOJTBH-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72320;MM72320;CCCN=C(NN)N(C)O;VWRUFKJQDPWXEK-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72321;MM72321;CC(NC=O)C(F)=CC#N;PNIJJGSTIMFNOJ-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72322;MM72322;C#CC(=CC=NOC)CO;HTCPWFAHKJBJNU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72323;MM72323;CON=CC(CO)CCO;FGCSIIVEDKBOCO-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72324;MM72324;C=NOC(=O)CCNCC;IENSLIPTJJVYHH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72325;MM72325;C=NNC(C)CC=CCN;BBGGCTKARWXDDK-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72326;MM72326;CC(CC=CCN)OC=O;HUHBGRKNJCGITK-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72327;MM72327;C=CCN(O)C(C)=NC=O;DJYZIAAUSGSNQF-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72328;MM72328;CC(=NC=O)N(O)CC#N;IJGPJPWBFKHPGW-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72329;MM72329;C=NOC(=O)CC=CCN;SDMDOEZPOAUASJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72330;MM72330;COCC(CC(C)O)=NN;AMCKBOBTLZMYTL-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72331;MM72331;C=NN=C(C)N(O)CC#N;UFWDGSHUCJEYFT-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72332;MM72332;CC(=CC#N)N(C)NC=O;JWRBJBFWGQIHCM-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72333;MM72333;N#CC=C(N)C(=N)NC=N;KWILHIFBJWTWHR-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72334;MM72334;C=CC(C=C)N(N)C(C)=N;WJTPFPYBBCSZJW-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72335;MM72335;C#CCC(O)C(C)=CCO;IXBULPRKAUOOKX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72336;MM72336;C=CN(N=C)C(=N)N(C)N;LCTXZYJARLZHQM-UHFFFAOYSA-N;141.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72337;MM72337;CC1C(C)C1(N)CO;DJSCYYYILSOIQL-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72338;MM72338;C=C(C)C(N)CC#CCN;SZJZJQBJPRVYTP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72339;MM72339;COCC(=O)C(C)=CCO;DFJWLTWPEPRDEL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72340;MM72340;CC(C)=C(F)CC=CCN;VMRFNLOZAGJQPS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72341;MM72341;COC(C)(C=CCN)OC;SVVFGUASZPMRKT-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72342;MM72342;C#CC(N)(C#C)C=CCN;FSGAEUISMIEOCU-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72343;MM72343;C=C(CN)CC(OC)OC;RANZZUVNGZLPAE-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72344;MM72344;C#CC(=NN)C(C)=CCO;JQOUGPAOPOCPEX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72345;MM72345;C#CC(CC(=C)CN)OC;XFGXHGUIIAZWCS-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72346;MM72346;CC=CCN(N)C(=O)NC;BNWSPJLEJZQEQI-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72347;MM72347;CNN=C(C)C(=O)NOC;JSPQUARDSUGLCV-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72348;MM72348;CNC(C=C(C)CF)CN;HPONJJVKWBYUKI-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72349;MM72349;CCOC(=O)C(C)=CNC;ZVENIQHUUNMZNA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72350;MM72350;CCN(C)C(C#N)C=O;LGNDFTOONDKZNN-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72351;MM72351;C=C(CCF)C(N)=CC=O;MWHQBMXBSKQVBG-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72352;MM72352;CC(=CC=O)C(=O)CCO;PUGVIOPBLGDYHR-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72353;MM72353;NC(=CC=O)C(=O)CCO;WDSUGMHOSSWWTN-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72354;MM72354;N#CC=C(N)C(=O)CCO;FKGWIJYWXRQANI-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72355;MM72355;C#CC=CNC(=N)NO;ZNHSMOQGXYGITM-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72356;MM72356;O=CC=C(F)C(=O)CCO;LIISXKMOFCOWEK-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72357;MM72357;COC(C=C(C)CN)OC;KGOGPLJYAUWJEB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72358;MM72358;CNC(C=CC(C)C)CN;GWHXGXWTZDSDGO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72359;MM72359;CCCNC(=N)C(=N)NO;OARRFNMSPIUHMX-UHFFFAOYSA-N;144.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72360;MM72360;CNC(C=CC(C)F)CN;MTFAILFSWGLDSX-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72361;MM72361;COCC(=O)C(N)=CC=O;BMADMVQRNAFNIZ-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72362;MM72362;CN(C)CC=C(CN)CF;KNRZEQCVMXRRHB-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72363;MM72363;C#CCNC(=N)COCC;BNPWIFWMWWOWIG-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72364;MM72364;COCOC(C)C=CCN;QZWCTNOMIVVILJ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72365;MM72365;CCNC(=O)C(N)=CC#N;NZOWMYNEVINWHE-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72366;MM72366;C=NN(C)C(C)C=CCN;VYAIZXDPYQGXFE-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72367;MM72367;CCC#CC(C)C(N)CN;AODSQXNLLXAVEU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72368;MM72368;C=CC(N)C(C)C#CCN;IIPRWXPVXROEMC-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72369;MM72369;CNN=CNN=CCC=O;CBALGUCPSQPLPH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72370;MM72370;C=C(C)OCC(=O)N(C)N;UNQHGBDPCHWZLZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72371;MM72371;N=C(N)C(=N)NN=CCO;HNPZJXSHJNBLNL-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72372;MM72372;C=COCC(=O)N(C)N;FRASPHQXVDTBOI-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72373;MM72373;CC=COCC(=O)N(C)N;WFBCKMKPGTYPSV-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
5-methoxy-4-methyl-3-oxopent-4-enenitrile;MM02564;COC=C(C)C(=O)CC#N;FICURALOGAFWFO-UHFFFAOYSA-N;139.15;1.02;130778663;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72374;MM72374;CNN=C(C)C(=O)CC=O;ZVIWKVZGANJCGM-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72375;MM72375;CNN=C(C)C(=O)CC#N;GXTBEZZHLNLKDT-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72376;MM72376;C=CN(C=NNC)N=C;FPLOQSIOVWXGNK-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72377;MM72377;C=C(C=O)C(C)=CCNC;DYUNFPJYQPQXPO-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72378;MM72378;CCC=C(C)C(=O)NC=O;UURDNPCFDXIDFC-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72379;MM72379;C=CNC(=O)C(F)=CCO;ZKGNCOUALAKBOI-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72380;MM72380;C=CC(=C)CNCCNC;SKIMLLUMNODTOV-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72381;MM72381;COC(C)OCC=CCN;WQPYQMIDZNZPKR-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72382;MM72382;CNN=CN(C)N=C(C)C;GFTRMUPFZHGBII-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72383;MM72383;C=CCOCC(=O)N(C)N;QWXDZXFTBSKNRO-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72384;MM72384;C=NNC(=O)C(F)=CNC;ANTIJYDDSKRUGQ-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72385;MM72385;COCC(=O)N(C)N;WJTYHRKXQCWECO-UHFFFAOYSA-N;118.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72386;MM72386;CNN=C(C)C(=O)NC=O;GVWPODINLUMSSF-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72387;MM72387;COC(=O)CCC=CCN;QOJVSUBTPPXPGM-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72388;MM72388;NCC=CCOC(=O)CF;IPWYPRYUEAKDLD-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72389;MM72389;C#CC(=O)CCNN=C;YJUWHWAZFQOUGH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72390;MM72390;C=NNC(=N)C(=O)N(C)C;ODPDWKWUKHHWME-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72391;MM72391;COC(=O)OCC=CCN;HZEZOUPRIRAXON-UHFFFAOYSA-N;145.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72392;MM72392;CC(=CC=NCCO)NO;MFBMSHQFLBDRCU-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72393;MM72393;C=C(CC#N)C(N)=CC=O;NZXKRTHRFZUFFZ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72394;MM72394;NC(=CC=O)C(=O)CC=O;LTYQPXSTIIVTDM-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72395;MM72395;N#CC=C(N)C(=O)CC=O;BZSIUFKCQSBEIA-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72396;MM72396;N#CC=C(N)C(=O)CC#N;JSWHJAJKHDHSSV-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72397;MM72397;C#CC(=O)OCC=CCN;ASXDYFARSDWDFL-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15312;MM15312;C=C(NC=O)C(F)=CC#N;PBEJGSZYWKDOEE-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72398;MM72398;NCC=CC#CC(F)CN;MBGRCXHDDKHQGF-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72399;MM72399;C=CC(N)C#CC=CCN;SQGSVVWKVABCJD-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72400;MM72400;CC(=CC=COC=O)CN;IZIVVSDNSYAGPH-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72401;MM72401;CC(=CC=NOC=O)CN;RZUSZBWITZWYOQ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72402;MM72402;CNN=C(C)COC=NN;NKKJJJSIZWFBGU-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72403;MM72403;C#CC(CC=C)C(N)CN;UCAHUTVDQBZMMM-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72404;MM72404;CC(C)(CO)C(=N)NC=N;BVBXRVSIRJOQRT-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72405;MM72405;C=NOCOC=CC(C)=O;WAQTUPLAJOFBMT-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72406;MM72406;C=NOCOC(=C)C(C)=O;QVMBTRHONIZLOT-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72407;MM72407;CC(=CC#N)C(=O)NC=O;GQAZVSYMNJCKEN-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72408;MM72408;C=CNC(=O)C(N)=CC#N;GYTFSKPKADCDOT-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72409;MM72409;N#CC=C(F)C(=O)NC=N;ODEQVFZQMQZWAY-UHFFFAOYSA-N;141.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72410;MM72410;N#CC=C(F)C(=O)NC=O;ILNZQZMZWUVTCA-UHFFFAOYSA-N;142.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72411;MM72411;NC(CO)CCF;DDKVDMVGGZCZEP-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72412;MM72412;CCOC(C)CC(N)CO;MNWDQEGOPQWLTG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72413;MM72413;C=COC(C)CC(N)CO;KLBXVGYAYVWAJK-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72414;MM72414;C=NNC(=O)C(N)=CC=O;GMNKHKWBVUZLRS-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72415;MM72415;C=NNC(=O)C(N)=CC#N;MZBLBMCDWIYWBP-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15396;MM15396;C=NNC(=O)C(F)=CC#N;IONTWVGGJQWFHZ-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72416;MM72416;C=C(CN)C(CF)CCF;GKONNSNDSXBEEU-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72417;MM72417;C=NN=C(C)C(=O)NC=N;KOUDWLVWLYCSEV-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72418;MM72418;CN=C(C=O)NC=CC#N;VYCIFLFQEAORRA-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72419;MM72419;C=COC(=O)C(N)=CC=O;LWHRSZKWLSYFHL-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72420;MM72420;C=COC(=O)C(N)=CC#N;WJPYHCJXDZOFIQ-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72421;MM72421;CC=COCCC(N)CO;RPTXURLBWILFTF-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72422;MM72422;CC(CN)=C(CF)CCF;ILIAVSNQADMCGG-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72423;MM72423;CCOC(C=CCN)OC;DUBPGJHGIIPWGP-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72424;MM72424;C#CC=C(F)C(=N)NC=O;ZDWXMZAPERFTMZ-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72425;MM72425;C#CC=C(F)C(=O)NC=N;DRTDROYWZRHREP-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72426;MM72426;C#CC=CC(CN)NCC;LYIQEMUKYUNFSM-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72427;MM72427;CC(=CN)C(=NO)N(C)O;AIYPHHNJPGPARM-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72428;MM72428;CC(=NO)N(C)C=CF;REZKZNLSTOTGEX-UHFFFAOYSA-N;132.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72429;MM72429;C=NNC(=N)C(=O)NNC;CBJFSPZOOAEORT-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72430;MM72430;C#CC(C(=C)CO)C(C)N;XJMXKQVWZWIJBP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72431;MM72431;CC(O)CC=NNC(=N)N;GCNAMJRIMHGMRQ-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72432;MM72432;CCC#CC(=N)NCCO;QRKAZLWDSJTXHL-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72433;MM72433;C#CCC(N)CCO;ONRQHVXCJKFYGL-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72434;MM72434;C=CCN(N)C(=O)NC=C;KEFHTUVYZHWMKI-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72435;MM72435;CC(C)(CF)C(N)CCO;VUZWBYACENVWOX-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72436;MM72436;CNN=CC(O)CC=O;DASXEXSCYPQYHK-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72437;MM72437;CC=NNC(CO)=NNC;AWPPSVUHJKYHBJ-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72438;MM72438;C#CC=CC(CO)=NN;UVJZZANYSNSZIO-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72439;MM72439;C=NOC(C=CCN)CF;YGGXWZRDJUYXJB-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72440;MM72440;C=NOC(C=CCN)OC;OFIPLUDUXWDZLA-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72441;MM72441;CC(=CC#N)N(O)C=NO;OMIPSDDNUCTNBI-UHFFFAOYSA-N;141.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72442;MM72442;C=CC(C=CCN)OC=O;HGRWUGZEVPLPJY-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72443;MM72443;COCCC(=CCF)CN;YDURNANHODYKJX-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72444;MM72444;C#CC(=NC)NCCCO;TXUFUQQYMGPZEW-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72445;MM72445;C#CC=CC(CO)=NNC;IFGCDLANVYWYIV-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72446;MM72446;CCCOC(=CCN)CN;GFCSPWBRENBORS-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72447;MM72447;CC=COC(=CCN)CN;LBPNEJYNXHGWEH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72448;MM72448;C=NN=C(C=CCN)CN;KZVZBXOMZASBTI-UHFFFAOYSA-N;140.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72449;MM72449;CCC(C)N(C=N)N(C)C;PKEXKQGRLHKMIH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72450;MM72450;CC(=CC(CO)=NN)CF;RRMIREMAIUQOCD-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72451;MM72451;C#CC(C(C)C)C(N)CN;RHYGUJINOWSHLT-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72452;MM72452;C=CC(N)C(NC)C(=C)C;CRVDOHFRPWRJLM-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72453;MM72453;N#CC=C(F)C(=O)C=CN;XISXDVHFTMZGNC-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72454;MM72454;C=C(C=NO)C(N)=CC=O;NBHSAXHZDGVMMG-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72455;MM72455;N#CC=C(N)C(=O)C=NO;FJDQFEQMHUUXGZ-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72456;MM72456;N#CC=C(F)C(=O)C=NO;CLAFPMLVZRMEMG-UHFFFAOYSA-N;142.09;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72457;MM72457;CC#CC(C)C(F)=CCO;VGEFUGQMJFBGFX-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72458;MM72458;CC#CC(O)C(F)=CCO;DIXMJZBBEVOTQY-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72459;MM72459;CCOCC(OC)C(C)N;IIPXXMFYOWXDDP-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72460;MM72460;C=C(C)CNCCCCO;KEJOUBZOLFFLRV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72461;MM72461;CC#CC(O)C(N)=CC=O;SNCYCLVYTAPYLE-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72462;MM72462;C=COCC(OC)C(C)N;NNSPARVSTAKTAX-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72463;MM72463;CCNCC(C=O)CC=O;FNMYGTJRAZXQIJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72464;MM72464;CC(=CCO)C(N)=CC=O;LRXZAQBTGCQERO-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72465;MM72465;C=C(C=CCO)CNC;BWLIQSBOSYGYDA-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72466;MM72466;CCNC(=N)NN=CNN;FTTOLRUBCZUFGB-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72467;MM72467;C#CC(OCC#N)C(=N)N;KFVIJQRBYRHBIW-UHFFFAOYSA-N;137.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72468;MM72468;C#CCOC(C#C)C(=N)N;BYUYHWFOANRPCQ-UHFFFAOYSA-N;136.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72469;MM72469;NC(=CC=O)C(N)=CC=O;DFCMZSBDRWOYSP-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72470;MM72470;CCC(CCN)NC(C)=O;QSHXTMHNECOTLT-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72471;MM72471;COC(CC=CCN)OC;KQDYIINIZCNSJB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72472;MM72472;C#CC(CC=CCN)OC;DSQGMCOSBWRDHK-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72473;MM72473;C=C(C#N)C(=NNC)NO;MNDGHVRUUZTVKC-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72474;MM72474;C=CC=NOCOC(N)=O;OYTYMVPEOJHDTC-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72475;MM72475;C=NNCCC(=CC)CN;NYFXHEDZDKROID-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72476;MM72476;C=CCC(CCN)NC=O;RJXFDBXXSKNFLF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72477;MM72477;CC=C(CN)CCOC=O;ZEIKGJSNIHQZAT-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72478;MM72478;CNC(C=CCCF)CN;XGHXWOKIDLOTCV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72479;MM72479;C#CC(C=NN)=CCO;AXQFQYUOVZJLFC-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72480;MM72480;CC(C)C(CCN)NC=O;GFGAXIPFIBQURZ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72481;MM72481;CCCC(CCN)NC=O;DAKCAGBYWFSBEG-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72482;MM72482;CNC(C=CCOC)CN;DSHMMZSVVYOLDL-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72483;MM72483;CC(CCO)=C(C)NC=O;YVKCZXZMRNZVRL-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72484;MM72484;CC(CC#N)=C(C)CC#N;WZNZNDCFWFBZHZ-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72485;MM72485;C=NNC(CCO)=NOC;MCUGAWHAVCTFNO-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72486;MM72486;CC(NC=O)=C(C)OC=O;AESSDWLYVOHWEI-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72487;MM72487;C#CCC=CC(CN)NC;PQZSRWFTMJUFBH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72488;MM72488;CNCC(C=O)C=CC=O;JYYXBHBHOGDIRN-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72489;MM72489;CN(N)C(=O)CF;QXWAAPGSIPUMHG-UHFFFAOYSA-N;106.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72490;MM72490;C=NNCC=C(CC)CN;JXYICGHJXNKFOV-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72491;MM72491;C=NN(C=N)C(C#N)=CN;ZFIKLNUZMOHUTE-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72492;MM72492;CC(C=NO)=C(N)CC#N;BEJVMNJRTJDJDU-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72493;MM72493;CC(C#N)N(C)CC=O;ZQPNEEANTOFCDJ-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72494;MM72494;C=NOCOCC=CCN;MBKBUUHLFJQLAW-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72495;MM72495;C=C(C=C(C)CO)CNC;DXLVZHCDGYACFN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72496;MM72496;C#CCC=NNC=NNC;JSUKDKILEVTRNC-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72497;MM72497;CC=NNCCC=CCN;FNVXXUPWXGAUEL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72498;MM72498;CON=COCC=CCN;MJMFNEVTRUMQIB-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72499;MM72499;C=CC(CC#N)=NNC;IPMDVEMPKIDLEX-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72500;MM72500;COC=NOCC=CCN;UTGVCIADJWAQFE-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72501;MM72501;CN=CNCC#CC=NN;GPNIXNUQHQHQSF-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72502;MM72502;C=C(C=CCCO)CNC;XDUMTHRZKOBCIA-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72503;MM72503;C=CCN;VVJKKWFAADXIJK-UHFFFAOYSA-N;57.1;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72504;MM72504;C#CC(=C)C(=NN)NN=C;AEAKDWAMNVCJTA-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72505;MM72505;C=C(CC)CN;ZYAKVPKYLCZNMF-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72506;MM72506;CCC(OC)C(=O)N(C)N;SAIYJMXSDHUHOZ-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72507;MM72507;CC=C(C)CN;PDLOGTOXFRBJKR-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72508;MM72508;C=C(CN)CCC;ZVIOCZGNOYQVMH-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72509;MM72509;C=C(CN)CCF;ROMZIWGNSZKEEK-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72510;MM72510;CCC(=NNCC#N)NC;KSUHRZKCIVMBMF-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72511;MM72511;C#CCC(=N)NN;LDZWEFBKFXCPEH-UHFFFAOYSA-N;97.12;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72512;MM72512;C#CCC(C#N)C(=N)N;YIEWFTAXSSVEJT-UHFFFAOYSA-N;121.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72513;MM72513;COC(C#N)C(C)C(C)O;UBMMORGIFVQVGS-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72514;MM72514;CC(=CCF)CN;XKSFLMXHKNBRDK-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72515;MM72515;C=CC(CN)NC;UODYKTAYZUOFBR-UHFFFAOYSA-N;100.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72516;MM72516;C#CCNC=NC;GJWUWILWZYFJRC-UHFFFAOYSA-N;96.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72517;MM72517;C=NN(C)CC(=O)C=CF;IDTPICJVHNBCQT-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72518;MM72518;CC(=CC(C)F)CN;BNAMIPYGDYAALQ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72519;MM72519;CC(F)C=NNC(=N)N;JXYJYSZHGNWLBK-UHFFFAOYSA-N;132.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72520;MM72520;N=CN(C=N)NC(=N)NN;XREPLYOLYCVOMG-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72521;MM72521;CC(C)N(C)CCN;QZNLXSYPOLTMIP-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72522;MM72522;CCN=CNC(=NN)NC;MNZVSGSRPWHKIA-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72523;MM72523;C#CCNC(=N)C(C)C=O;RCYGEMWOSIONBI-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72524;MM72524;C#CC(CO)C(O)C(C)C;GGNNIHBYLSFCQT-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72525;MM72525;CON=CC=COC=NN;OIYSAZPVLYZEIJ-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72526;MM72526;COC(C)C(=O)N(C)N;IRGFGGBWKILOPF-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72527;MM72527;C=C(CN)CCCF;UDDQEZRUBOIGQN-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72528;MM72528;C=C(CN)CCOC;RVSRCEKUHAOAEX-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72529;MM72529;C#CC(OC)C(C)C(C)O;BRYXZZMDZSXRBY-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72530;MM72530;C=CCCC(=C)CN;TURFAMSJNZZFSJ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72531;MM72531;C#CC(OC)C(O)C(C)O;QOUZKZUCPRBXAA-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72532;MM72532;CC(=CCCF)CN;QHIFABWDSGVXQT-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72533;MM72533;COCC=C(C)CN;ZEPDWQUPMMUINU-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72534;MM72534;C=CCC=C(C)CN;NYANRJJKCBRCBW-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01916;MM01916;CC(C)C(C)C(C=O)C=O;XGMOKTFRDJLDET-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72535;MM72535;CC(O)C(C)C(C#N)C=O;OZCAIYNNDMXIGK-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72536;MM72536;CC(O)C(C)C(C#N)C#N;NEBNYSPIXPQDKJ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72537;MM72537;CC(C)=CC(C)(N)CN;HVVJGWQKCSGDQL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72538;MM72538;COC(=O)C(C=CN)=NN;ZWPWESVXYHCGAL-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72539;MM72539;CC(C)C(O)C(C#N)C#N;XEDKWMWNGXYOKG-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72540;MM72540;CC(F)C(O)C(C#N)C#N;JSAGQNZDYPTFNJ-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72541;MM72541;CC(O)C(F)C(C#N)C#N;DPSHIRQVCCCVPV-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72542;MM72542;CNN=CC(C)(C)C#N;ZMRGUCFOKSFUHL-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-[1-(dimethylamino)ethyl]propanedinitrile;MM03062;CC(C(C#N)C#N)N(C)C;JXKXDCBPVWNKGS-UHFFFAOYSA-N;137.19;0.6;130233767;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72543;MM72543;CC(N)C(C)(N)C(C)F;IYHFSYORTZEGMP-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72544;MM72544;CC=NNC(C)C#N;RWAUFEUOVTWTGP-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72545;MM72545;CC=NN=CN(N)C(=N)N;UIKRMIHEFCWDHT-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72546;MM72546;C#CC(C=C)C(O)C(C)O;RPTCYFDSXDODHJ-UHFFFAOYSA-N;140.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72547;MM72547;CCN=C(NC)NOC=O;GHZZEWWRYVPPJM-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72548;MM72548;CCNC(=NC)NOC=O;GHZZEWWRYVPPJM-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72549;MM72549;C#CC(C#C)C(O)C(C)O;GJXNSQLKTJKVKB-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72550;MM72550;CC(N)CNCC(C)F;RSEKCGUMQNOIDT-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72551;MM72551;CC(C)C(=NO)NCC#N;YENPNFCOQPFMCM-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72552;MM72552;C=CC=CC(C)(N)CN;SUCWGENVTZKOJW-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72553;MM72553;CCC(=NO)NCC#N;GMLAIUHKULJMOU-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72554;MM72554;C=CCC(N)(C=C)CN;VYOMYSAUIANSOE-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72555;MM72555;CNC(C)(CF)C(C)N;QDYFJSNBKGJJJL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72556;MM72556;C=C(CN)CC(F)CC;DSPAWMCTXZQFJI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72557;MM72557;C#CC(C(=N)N)C(=O)CC;NVFQNQXUFZGGOF-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72558;MM72558;CC(N)CNC(C)CF;DITDJMAEDKZWCI-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72559;MM72559;C=C(CN)CCC(C)F;KYXSSYKXNOQDRR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72560;MM72560;C=C(CN)CCC(F)F;XXWULMUEGRIXJD-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72561;MM72561;C=C(F)CCC(=C)CN;LYHZBJICEYFDME-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72562;MM72562;CCC(CO)N(C)C(N)=O;LNLXLZMWSLGMKW-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72563;MM72563;CC(=CCC(C)F)CN;UQEWLNHZGXKRNQ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72564;MM72564;C=C(C)C(C)C(C=O)CO;WOIBJEHCQYUVEQ-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72565;MM72565;CC(C)=CCNCCN;FZJMPMVCGUIQOW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72566;MM72566;C=CC(CC)C(O)C(C)=O;STGVEPUQDYJXDB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72567;MM72567;CC(=O)C(C(=N)N)=C(C)C;NWYLNKNGJIUDPW-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72568;MM72568;C#CCCC(=N)NOC;OQSSPEDSJOGSOX-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72569;MM72569;C#CCNC(=N)COC;HAACBFWIBYMEMW-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72570;MM72570;C=C(C=CC=O)CNC;LNJSSEXFNIYAPS-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72571;MM72571;COC(C#N)C(C)C(N)=O;QFWTXFRLQYPGSM-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72572;MM72572;C=C(F)C(N)C=CCN;OASUWKKJCGTXAO-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72573;MM72573;C=CC(C)NCCNC;JSWAFCBNDXIJBK-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72574;MM72574;C=C(CN)CCCCF;ULHKIFWQUCQVAP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72575;MM72575;CCC(C#N)N(C)C(N)=O;WRUIQRKSFHKQBH-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72576;MM72576;C#CC(C#N)=CNC=N;UVIYRFNOWGRFRF-UHFFFAOYSA-N;119.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72577;MM72577;CC=C(OC)C(=O)NC=N;VTMNLEQTXJYECO-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72578;MM72578;C=CC#CC(=O)NNCC;AGTKXBLMWXWDRB-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72579;MM72579;C=CC(CC)N(O)C(N)=O;VVLZRVZPIQUVBP-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72580;MM72580;CCNCCC(=O)OC;KDGSVMQRTUAIDO-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72581;MM72581;CC#CC(C)C(=O)NC=N;NGXQNCILGOOYQD-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72582;MM72582;C#CC(CC)C(=O)NC=N;KLNMKJOONOGRRR-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72583;MM72583;CNN=COC(=O)NNC;QYMNZUVQLLGOBW-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72584;MM72584;C=NOCCC(=C)CN;QUPRKRSRWNITMW-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72585;MM72585;C#CC(=N)N(C)C(=O)NN;YOWHSZFXRSMPDT-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72586;MM72586;CC(=CCCCF)CN;ACWOOQRYXVPQOY-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72587;MM72587;C=NNCC=C(C)CN;XHDOJQPRKPZRHO-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72588;MM72588;C=NNC(=N)N(C=O)C=O;YLLVMQAKOAMMHP-UHFFFAOYSA-N;142.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72589;MM72589;CCON=CC(O)C=NN;NGPXUXAFYDTVKV-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72590;MM72590;CN(C)N=CC(C)(O)CO;QKAOMBYBZWUELV-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72591;MM72591;N=C(N)C(=N)NN=CCN;JSJWCIANMGRNGN-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72592;MM72592;C#CC(CC)N(O)C(N)=O;RJJGIEZNKJWWRO-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(3-oxobutan-2-yl)propanedinitrile;MM02887;CC(=O)C(C)C(C#N)C#N;BHPHKDVGALPWDT-UHFFFAOYSA-N;136.15;0.87;45085453;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72593;MM72593;C=C(C)C(O)C(C#N)C#N;URJFGGXRWHQVEW-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72594;MM72594;C=NOCC=C(C)CN;HRAMRYVCMRSOQF-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72595;MM72595;C=C(C)C(C)N(C=O)C=O;RXXSCTAOFVTFIB-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72596;MM72596;C=C(C#CCO)C=NNC;VWEUTGJUECFVOD-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72597;MM72597;C#CC(=CC=NN)NC=O;QKZICEOWCSLKFV-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72598;MM72598;CN(C(N)=O)C(C#N)C#N;LSFFKKRPEFYZGE-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72599;MM72599;NCC=CC=C(F)CN;TWBCCRZKEOUJIX-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72600;MM72600;C=CNC(=N)C(=C)C=O;FRABLMOSHPBQDU-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72601;MM72601;C=NOC(CO)ON=C;IWYKKWZUBDOMQU-UHFFFAOYSA-N;132.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72602;MM72602;NN=CCC=C(F)CO;WMTYUEGKIAOHLF-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72603;MM72603;CON=C(C=O)N(O)C=N;MAZKXWSMWZJRJG-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72604;MM72604;C=CC(C=C)N(O)C(N)=O;RRTVNAYQXVSFFO-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72605;MM72605;CC#CC(C)C(N)CN;QXVFHLSBPPASFA-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72606;MM72606;CCN(C)C(C)=NC=N;QGVFBXJOKWFLLH-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72607;MM72607;C#CC(C#C)C(O)C(C)=O;WDCPRVXHSDHWDF-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72608;MM72608;CCC=NNC(=N)C(=N)N;MWFPBBUQYSYTTP-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72609;MM72609;C#CC(=CC=NN)NC=N;SIMZQGDHUNVQEN-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72610;MM72610;C#CC(=CNC=N)OC;JEQCYVITJWZOLN-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72611;MM72611;C#CC(C#C)N(C)C(N)=O;NBKIMPOPYSQATK-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72612;MM72612;C=CC(N)CC(C)(N)CF;ZOXFQGJFOJQRHC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72613;MM72613;C#CC(C)(N)CC(N)C=C;YKKJWELEHXTQEY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72614;MM72614;CCC(C)=CC(C)(N)CN;XRUBARWRLKNLKU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72615;MM72615;C=NOCC(=O)C(C)=O;FGWILXIUINTPKI-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72616;MM72616;C=NNC(CO)=NN=CC;YECKHHXSDZJKJK-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72617;MM72617;C#CC(CO)ON=C;ALIAALAPKSZZGL-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72618;MM72618;C#CC(N)C(C)(N)C(C)C;SNYLBYNOZRJVHP-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72619;MM72619;CNN=CC(O)CCCF;YCACRDSMPRTOGZ-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72620;MM72620;C#CC=C(C)C(CO)=NN;FCHHMCOJDLCSSV-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72621;MM72621;CCC(CO)C(=O)N(C)C;NWWFKMMEJURWFQ-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72622;MM72622;C=C(F)C(C)(N)C=CCN;XZWFRCIQQDNLOQ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72623;MM72623;CC=NNC(=N)C(=N)N;OVLAHCFMTOGGJZ-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72624;MM72624;CCN(CC)C(=O)N(C)O;CAENEQPWJWVBBY-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72625;MM72625;CCN(NC)C(=O)N(C)O;ICBQMKCSQMNOFK-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72626;MM72626;CCN(OC)C(=O)N(C)C;MLYMWNRXXVQABC-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72627;MM72627;C=C(C(C)O)C(C=O)CC;RIXJCMXCZGTJBK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72628;MM72628;CC(C)C(=O)C(C#N)CO;FAYQOZHNKYYDQX-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72629;MM72629;CN(C)CC(F)C=CCN;QFGCASYFWVVQEU-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72630;MM72630;C=CC=NNC(=N)C(=N)N;ZCQLVOFHSQIOCO-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72631;MM72631;CN=CNNC(C)(C)CF;XDVCDDVSWVRCNW-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72632;MM72632;CC(C)=NNC(=N)C(=N)N;FCJHLJWEWUSEQV-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72633;MM72633;CC(O)C(C)(C)N(N)C=O;VDFDTMUGIYJZQW-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72634;MM72634;CC(=O)CNN=CCO;SDLIRVPFPLSKHZ-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72635;MM72635;CCN(N)C(=O)NC;CJJUREBRCOJNML-UHFFFAOYSA-N;117.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72636;MM72636;C#CC(CF)CNC;OXJLETHXIJNAPU-UHFFFAOYSA-N;115.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72637;MM72637;CCN(N)C(N)=O;WFGVMJYASPLBLS-UHFFFAOYSA-N;103.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72638;MM72638;CCC(C#N)C(=O)N(C)O;AHHWMRMJPBBBHD-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72639;MM72639;CC#CC=NNCCCO;LPQSCBRWNIWPQQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72640;MM72640;NCC=CCC(F)(F)CN;HXZHQTMGEKPPCW-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72641;MM72641;CC(N)(C=CCCF)CN;DWWSXPIOPHWEJP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72642;MM72642;C=CCC(N)C(C)(N)CF;KBXTUJOWQQCPIC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72643;MM72643;CCCC(N)(CF)C(C)N;LIHZDUKZRWNYFH-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72644;MM72644;C=C(C)C(N)(CN)CCF;GDYQHMQOVNVARY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72645;MM72645;CON(C=O)C(=O)C(C)C;ZNWZMHMKCAZYFR-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72646;MM72646;C=C(C(C)N)C(C)N(C)C;DLCPYJZWGZUIRH-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72647;MM72647;CNC(C)CNCC(C)F;MRUBMQCCZPASLN-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72648;MM72648;C=C(CN)CCOC(C)=O;MNSHGIYTEQNJSR-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72649;MM72649;C=C(CN)CC(F)CCF;ZZIYBRJCZWKCKH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72650;MM72650;C=NNC(C)CC(=C)CN;LCOLBPFOOJFXQV-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72651;MM72651;C=C(CN)CC(C)OC=O;NXRGVJAISNARPZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72652;MM72652;C=NOC(=O)CC(C)NC;PAHQVUBLPWGBPE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72653;MM72653;CC(=CC(F)CCF)CN;VHYBMLGGBONAOQ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72654;MM72654;CON(C=O)C(=O)N(C)O;GXVXHXYQXQNZJW-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72655;MM72655;C#CCC(C)(C#N)C(=N)N;NKHGTIUUOOBVAT-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72656;MM72656;C#CC(CO)C(=O)C(C)C;PVHKDEIYIIOTCO-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72657;MM72657;C#CC(CO)C(=O)C(C)F;ZRKVOVDBHWYSOL-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72658;MM72658;CC=CCCN(N)C(N)=O;DAIYMYBOJPVEQQ-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72659;MM72659;CC(C)CN(N)C(N)=O;VMXQPONDPXTFOQ-UHFFFAOYSA-N;131.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72660;MM72660;C=C(C=C(C)C=O)CNC;DJBQDOLNHJXLOS-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72661;MM72661;NCC(C#CC=NO)=CF;HIDAESJBFYWJJT-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72662;MM72662;CCCCN(N)C(N)=O;DLLQJWPKYXYPCE-UHFFFAOYSA-N;131.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72663;MM72663;C=CC(C)=CC(=N)NC=N;GLJLIFDLYHHJGQ-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72664;MM72664;CC(=CC(F)C=CF)CN;ITVFDTMQVKBKKM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72665;MM72665;C=C(C(C)O)C(C=O)C=O;GEKXDDZQABGQKZ-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72666;MM72666;C=C(C(C)O)C(C#N)C=O;MJVKPIJGCQAVNU-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72667;MM72667;C=C(C(C)O)C(C#N)C#N;IRUCBNXORJXQGY-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02173;MM02173;CC(F)C(=O)C(C#N)C#N;HORNPUIPUPSWNN-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72668;MM72668;C#CC(N)C(C)CN(C)C;SACYYDHNVUMJSP-UHFFFAOYSA-N;140.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72669;MM72669;C#CCN(N)C(=O)COC;CUPHJZDHYLSZCC-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72670;MM72670;C=CC(C#N)C(=O)N(C)C;YRCNSOMDUORNOS-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72671;MM72671;CN(C)C(=O)C(C#N)C#N;ILHJJQGBDAZAFM-UHFFFAOYSA-N;137.14;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72672;MM72672;C=CC(C#N)C(=O)N(C)O;LVJGRYHTDCHVGP-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72673;MM72673;CN(O)C(=O)C(C#N)C#N;VCRUJZXJGWURSA-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72674;MM72674;CC(C)NC(=N)N(C)C=O;OQYCOCDDMAYKAC-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72675;MM72675;C#CC(OC(=N)N)C(=N)N;DBVKXHNJXIEEQD-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72676;MM72676;C=C(NC=N)OCOCC;IBJXYBYXROPPRV-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72677;MM72677;C=COCOC(=C)NC=N;BITFGFRODGVGGW-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72678;MM72678;CC(C)C(=O)N(C=O)C=O;LELIBXSFNOEPLQ-UHFFFAOYSA-N;143.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72679;MM72679;C=CN(C=C)C(=O)C(C)O;RYNVFVDZORUCCS-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72680;MM72680;CC#CCNC(=N)COC;JCJAPJQDNGHVSN-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72681;MM72681;C=C(C)C(=C)C(CN)NC;WVVUHKBEOBTJLC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72682;MM72682;CCOC(=CCN)CNC;VDHBZUBZROAIHK-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72683;MM72683;C=COC(=CCN)CNC;BEGUALWEVAUNCZ-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72684;MM72684;C#CC(N)C(N)(CC)CC;YPIXYAYBSWOIDU-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72685;MM72685;C=CC(N)(CN)C(C)CF;JGWVNRVXKJQBPP-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72686;MM72686;CCC(N)(CN)C(C)=CF;VYYVQJOHBQIACF-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72687;MM72687;C=CC(N)(CN)CC=CF;KRHHWIUDOPZDEV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72688;MM72688;C=NN(C)C(C=NN)=NN;SJRCWTJBEDCHFB-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72689;MM72689;C=CC(C=C)(CNC)NC;LBFTUEBCLPMGQN-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72690;MM72690;C=NN(C)CCC(=C)CN;NPVMWPAIPSFOTD-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72691;MM72691;C=C(CN)CCC(=O)OC;WMNDSPOZTCNKMH-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72692;MM72692;CC(=CC=C(F)CN)CN;QSNOVOPRXFWGCA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72693;MM72693;C=CN(C=C)C(=O)N(C)O;NYVQJSQNSJUCLU-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72694;MM72694;C=CN(C=O)C(=O)N(C)O;UJPNORKGMGBEGJ-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72695;MM72695;CN(O)C(=O)N(C=N)C=N;ROHGMBOJTLSIBR-UHFFFAOYSA-N;144.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72696;MM72696;CN(O)C(=O)N(C=O)C=O;IFLABXWXZJLZOX-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72697;MM72697;C#CC(C=C(C)CN)OC;UMZOPDRBJYVLNA-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72698;MM72698;C=CC(N)C(C)C(N)CF;HSFDECNPMVHTEQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72699;MM72699;C=NN=CC(N)C=CCN;DBVKIIQHLHWHPB-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72700;MM72700;CNCC=C(C)C#CCN;VLZPECDKOFYHQP-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72701;MM72701;C#CC(C)NCCNCC;GAXFAIQJSAWVFM-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72702;MM72702;C=NN(C=O)C(=O)N(C)O;RIYJCIVWWPPYHA-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15579;MM15579;C#CC(C#N)C(=O)C(C)F;WWLAYGQQTDPLKQ-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72703;MM72703;C=NNC(C=O)=NN(C)C;CXBFTKUWFCKAFW-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72704;MM72704;C=C(CN)CCCCCF;PSGWIOSGWRXTRD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72705;MM72705;CC(C=O)N(C)CC#N;XPGMBGNCBSZHCB-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72706;MM72706;C=NN(C=N)C=NC=NN;GKZPTIUZCSMPFT-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72707;MM72707;C#CC(C=C)C(=O)N(C)C;VTQVPFPLXKHWMU-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72708;MM72708;C#CC(C#N)C(=O)N(C)C;KLTXYBUYHSTQRN-UHFFFAOYSA-N;136.15;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72709;MM72709;C=C(CN)CCOCCF;ZNBBBCGKGNIQLZ-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72710;MM72710;C#CC(C=C)C(=O)N(C)O;CLCIYDPWYUGVGT-UHFFFAOYSA-N;139.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72711;MM72711;C#CC(C=O)C(=O)N(C)O;DWPADDKHJBUGMV-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72712;MM72712;C#CC(C#C)C(=O)C(C)O;MKDHXINBRBSQEX-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72713;MM72713;C=C(CN)CCCOC=O;WCQLNFNLWMRING-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72714;MM72714;C=C(CN)CCNN=CC;HWPSACDXQMJQBN-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72715;MM72715;C=CC=NNCC#N;RVVLYOQDIWJQFH-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72716;MM72716;C#CC(C#C)C(=O)N(C)C;UPZNMRHYSXZLAV-UHFFFAOYSA-N;135.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72717;MM72717;CNN=CC=CN(N)C=N;XCUFDFDWMBGHSR-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72718;MM72718;C#CC(C#C)C(=O)N(C)O;MIKVFUVWHZVMNJ-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72719;MM72719;CC(=CCCOC=O)CN;MPXBMSPFRKCPCU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72720;MM72720;CCC(CO)C(=O)C(C)=O;XJDURGCUORUPOE-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72721;MM72721;C#CC(=C)C(CNC)OC;GEKICLUIPFQYHX-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72722;MM72722;C=CC(CNC)C(=O)OC;PLJFJBIKFVPZSF-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72723;MM72723;C#CCC(CC=NN)NC;CCJKRHDOVULEDV-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72724;MM72724;CCN(OC)C(=O)C(C)=O;UOYKYESHJOPFHK-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15289;MM15289;C=CC(CC)C(=O)C(C)=O;CRULVCVKCAXLFL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72725;MM72725;CC(=O)C(=O)C(C#N)CO;VYWZEMPLJSICCB-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72726;MM72726;C#CC=CC(CNC)NC;ZKTRLRSPKYIMJS-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72727;MM72727;C=C(C(=O)O)C(C#N)NC;DIMTXMBOEKZXNR-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P4";;;;;;;-1.62;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72728;MM72728;CN(N)C(=O)C(F)=CN;NVNRSQOHQCTDNK-UHFFFAOYSA-N;133.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72729;MM72729;C#CC(C=NO)CN;LGZIUPJPBLKMJW-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15872;MM15872;C=C(C)C(=O)C(C=O)OC;MHGKAZHGEDQJEX-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02610;MM02610;COC(C#N)C(=O)C(C)=O;NXQWDZYEVBNYGU-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72730;MM72730;C=C(C)C(=O)N(C=O)CC;QCFUZJYEZZFKSS-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72731;MM72731;C=CC(C#CCN)=CCN;QLTGPDPOZDWHDT-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72732;MM72732;CNC(=N)N(C=O)C(C)C;BJGFQAWJLMFBPF-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72733;MM72733;C=CCCC(CN)N(C)C;LXAUIMUXISDBQM-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72734;MM72734;CN(C)C(C=CCN)CF;AZDIPNMOQLBEDG-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72735;MM72735;C=CCC(=NC=N)NC=O;AIZSRWIDURSPSV-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72736;MM72736;CC#CC(C=NO)CN;KMBVPDBJAHHTIE-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72737;MM72737;C#CC(C=CCN)N(C)C;HFNUXKQMPBUFKM-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72738;MM72738;C=C(C)C(=O)N(C=O)OC;AKCGIQIBKXNJIM-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16517;MM16517;C#CC(CO)C(=C)C(=O)O;LGHVBDXPKQBHBZ-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72739;MM72739;C#CC(=NO)OC=CCN;CXNGLQLYKGCUCR-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72740;MM72740;C#CC(CC)C(=O)C(N)=O;FEJNYJCOOCRACR-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72741;MM72741;C#CC(O)(C#C)CC=NN;VKDKOSMPBFPKII-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72742;MM72742;C=C(CNC)CC(C)=NO;VLXDCFRAXDUTOC-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15853;MM15853;C#CC(OC)C(=O)C(C)=O;MJAYIPZZLKIEDM-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72743;MM72743;CC(C=NO)=CC(C)N;SAUAOCOZEWIKOP-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15769;MM15769;C=C(C(C)=O)C(C#N)C=O;DYTFGHVZXSJMSO-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72744;MM72744;CNNC(=O)N(C)N(C)C;GPHYHCTVQSTIFG-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72745;MM72745;C=C(C(N)=O)C(C#N)C#N;LUPGSHIRHZISJF-UHFFFAOYSA-N;135.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15510;MM15510;C=C(C)C(=O)C(C=O)C=O;DKFLYRTYFJFTLK-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15533;MM15533;C=C(C)C(=O)C(C#N)C=O;NYAGHCLBNSIUAG-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15576;MM15576;C=CC(C=C)C(=O)C(C)=O;PMBGVNOOPGQXHH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15515;MM15515;CC(=O)C(=O)C(C#N)C=O;XLPGXJUIRCVMAP-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02828;MM02828;CC(=O)C(=O)C(C#N)C#N;MMPIIZHOVATEBE-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72746;MM72746;C#CC(O)C(CF)NN=C;AFLPYRZTQOXVPA-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72747;MM72747;C=CC(C=C)C(=O)C(N)=O;YHZSMZSCNLIWRX-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72748;MM72748;CN=C(C=CC=NN)NN;ZUCHSOJVDFUFOY-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72749;MM72749;CC=COCCNCCN;NXJPVOHWXYBPGM-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72750;MM72750;CN(C)C(N)=C(C#N)CO;HUSQYLHQYJKWOA-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72751;MM72751;C#CCCNCCC=NN;ATGQRBDACHKFCC-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72752;MM72752;C#CCNN=CC(C)(C)O;KEKXAROXZLQEFM-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72753;MM72753;CN(C)N=C(C=NN)NO;BZVAEZDQCBZODX-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16455;MM16455;C=CN(C=O)C(=C)C(=O)O;RNRLCMGQYNNDHU-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72754;MM72754;COCC=CCNCCN;PYQWWCZSHFZXJX-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72755;MM72755;NCC=CC=NN=CCN;FXAJJAWNKVFMAN-UHFFFAOYSA-N;140.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72756;MM72756;CNC(C)C=C(C)C=NO;TXGCONZODBTUSA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72757;MM72757;CN(O)C=NOCC=O;UDHCTWFKLLYOLH-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72758;MM72758;C=CC(C)ON=CN(C)O;KETIWEHOXXBZPA-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72759;MM72759;C=C(C)CN;VXDHQYLFEYUMFY-UHFFFAOYSA-N;71.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72760;MM72760;C=CC(C)(N)CN;RZFOANCXAONJLQ-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72761;MM72761;C=C(C)C(=O)N(C=O)C=O;GBZZSSMGOMNEIU-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72762;MM72762;C#CC(O)(C#C)C(C)CN;WZZVJJCEZKKKQR-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72763;MM72763;CC(=O)C(=O)N(C=O)C=O;TYFJZIUDJAHMDM-UHFFFAOYSA-N;143.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72764;MM72764;C=COCC(C)N;RMFVFBUXAXXIQM-UHFFFAOYSA-N;101.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72765;MM72765;CCC1(N)CC1N;CGZJCHDWWWSBAV-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72766;MM72766;CC(N)COC=CF;ZASSOIMROHTBRG-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72767;MM72767;N=CN(C=N)C(=O)C(N)=O;LSFINVOCKFWSLH-UHFFFAOYSA-N;142.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72768;MM72768;C=C(C(=N)N)C(=O)NC=O;MQXRXBRXYBUUKX-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72769;MM72769;CN(O)C=NC(=N)C#N;MFUKIJDKFFDVRZ-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72770;MM72770;CCCN(N)C(=O)NCC;WVROCHTTYDMQHG-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72771;MM72771;C=CC(CNC)NC;ALYKEDPYPCRTOD-UHFFFAOYSA-N;114.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72772;MM72772;CC(=N)N=C(C)N(C)C;COUSCUOCLGTXBU-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72773;MM72773;C#CC(CC)N(N)C(N)=O;DBAKVSASZZEVOM-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72774;MM72774;C=CC(C)(C)C(N)CN;LKIHDSKYQWSXQE-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72775;MM72775;C=C(CF)OCC(C)N;SDRWHRFFBQLTJS-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72776;MM72776;C#CC(=C)OCC(C)N;RHYRYZCWMCOVFJ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72777;MM72777;C=C(C)CNCCNC;CXNYTQBGHALNOK-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72778;MM72778;NCCC#CC=NNC=O;MRMWVCIZPYUUMT-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72779;MM72779;C#CC(C#N)C(=C)C(N)=O;OUWLBBYJADNWMK-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72780;MM72780;C=CCCN(N)C(=O)NC;YOULRQYJFDDYJY-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72781;MM72781;C=NN(C)C(=N)C(=N)N;VVXZQFOBAOMHNC-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72782;MM72782;CC#CCCN(N)C(N)=O;XOUUHJMGSVFOKB-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72783;MM72783;C#CC(C#C)C(=O)C(N)=O;JNQUVOMXJUECMH-UHFFFAOYSA-N;135.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16261;MM16261;C#CC(C#C)C(=O)C(=O)O;SWFYWUKYNNGDAZ-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72784;MM72784;CC(=CCF)N(N)C=N;ULPDZINLVBNTFO-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72785;MM72785;CC=CC(CNC)NC;CLJHPFNGJMXTFL-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72786;MM72786;C#CC=C(C#C)NC=N;AIGXYXZEQWKNHF-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72787;MM72787;CC#CC(OC)C(=N)N;AISWJJXIVDWVFJ-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72788;MM72788;C=C(C)C(OC)C(C)N;VAMVXWDWVXETIA-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72789;MM72789;C#CC#CC(O)C(=N)NC;CSUZUBUJDNOUJV-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72790;MM72790;COCC=NNCC=O;KXFHCEYMEIJSFG-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72791;MM72791;CNN=CC#CC(C)CO;IYHCABDVCIFHNZ-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72792;MM72792;CNCC(C)(C)OC(=N)N;HOCHZPMGDVYVQC-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72793;MM72793;C=CC(C=CCNC)=NO;PCOBGEIHXJUUHS-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72794;MM72794;CC(C)C(C)C(C=O)=NO;AHWSFPKXJDZLBZ-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72795;MM72795;CN(C=O)C=CC(C)(C)N;RZSGPPJWVVGPLK-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72796;MM72796;COC(C)(C)ONC(C)=N;QQACDUKSRGQJCV-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72797;MM72797;CC(C)N(C)C(C#N)=NO;CMXSOTOAVDBHMN-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72798;MM72798;C#CCN(C)C(C#C)C#N;HOVOLGQOXNLHNL-UHFFFAOYSA-N;132.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72799;MM72799;C#CC(NCC)C(C)(C)N;HZDOCTBJRRHVOG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72800;MM72800;C=NNC=NN(C)C=O;IWUWTEFOCMMEOV-UHFFFAOYSA-N;128.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72801;MM72801;C=COCC=NNC=NN;NNZBLQDDFWHDMG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72802;MM72802;C=NOC=NNC(C)(C)C;FCFLHSZFWYNYBV-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72803;MM72803;CN=C(NC(=N)C#N)OC;LFFULYYKYFUURF-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72804;MM72804;CC(C)(C=CF)C(N)CN;GYBGLHXMOFTXHS-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72805;MM72805;C=C(C)C(C)(C)C(N)CN;YGUSJCBOSKRIDT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72806;MM72806;CNN=CC(C#N)N(C)C;ZNPTVEJBCJFGLJ-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72807;MM72807;CCC(=NO)N(C)C(C)=O;GTURHKFYKDWZPS-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72808;MM72808;C#CCNC(C=O)=NC;DMQDNRAQLQNVQK-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72809;MM72809;C=C(C(=N)N)C(=O)NN;DCUINUCOPQCJSQ-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72810;MM72810;C#CC(C)(O)C(C=C)CN;WSKBYGVLQBGDEU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72811;MM72811;C#CC#CC(=O)NC=N;OHCCXLMWIYWYIU-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72812;MM72812;CNCC(C)(O)C(C)(C)F;RRTAXPBVNFOXEH-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72813;MM72813;CNCCC(O)C#CC=O;RPTKRKBZUVUVLM-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72814;MM72814;C=CN=CNC(=O)C=C;DDBWZPNFTYLIAG-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72815;MM72815;C#CC(C#N)CN(C)N=C;RRMHQFRZSDAHAX-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72816;MM72816;CC(=O)C(C)C(C=O)=CN;PPWHQMZNSVHFEQ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72817;MM72817;C=NNC(=NO)NCC=O;GNQKLPPMSDHPFY-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72818;MM72818;CC=NOC(C)C(O)C=O;SVILCXSBXLBOAB-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72819;MM72819;C=CC(=NNC)C(O)CF;BFQNVSNFMYZMAJ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72820;MM72820;C#CC(O)C(C=CC)CN;MJIUXVZXVMMIFK-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72821;MM72821;CC(=O)N(C)C(C#N)=CN;LHBVVUYILVZGTF-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72822;MM72822;C#CC(NC)C(C)(C)CN;WEHBBPRIJGPTKO-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72823;MM72823;C=NOC(CO)OC;LUOCLRBPSXWKKP-UHFFFAOYSA-N;119.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72824;MM72824;C#CCC(=C)C(C)(N)CN;YREVQMBEHIIRCT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72825;MM72825;CC=C(C#N)N(C)C(N)=O;YURWYARZBQBTBQ-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72826;MM72826;CN(C(N)=O)C(C=O)=CN;AODRCDKCADYJND-UHFFFAOYSA-N;143.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72827;MM72827;CN(C(N)=O)C(C#N)=CN;HUIADQHBNORNCZ-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72828;MM72828;C=CNC(=O)N(N)CCC;ZDUJGJZIPCWFIV-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72829;MM72829;CC(C)(N)C(C)(O)CO;MSMFSDYFNDBCLX-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72830;MM72830;CC=C(C#N)N(O)C(N)=O;ZEGMNYQHAJOVDP-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72831;MM72831;C=C(C)N(C)C(C=O)=NO;MMCISBLBBVJCBN-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72832;MM72832;C#CC=C(C)C(C)(N)CN;ZOCAIJLWJKWUGD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72833;MM72833;C=CC(=NO)N(C)C(C)=O;VACPDIFOMARNLC-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72834;MM72834;CN=C(C#N)N(C)C(N)=O;FTUQIBVHODIPHJ-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72835;MM72835;CCNC(C)(CF)C(C)N;WWJNLAPZGYFKCM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72836;MM72836;CNN=CCC(O)CC#N;OBHRPQCNODRWKT-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72837;MM72837;C=C(C)N(O)C(C#N)=NO;FWEHOZYXMXLRPQ-UHFFFAOYSA-N;141.13;0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72838;MM72838;CC=NOC(CO)CC=O;ZJWSMRPSAROAEL-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72839;MM72839;C#CCNN=CC(C)O;LILIHDBPVZXORT-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72840;MM72840;CC(=N)N(O)C(C#N)=NO;DPTUJGIUOOWKIJ-UHFFFAOYSA-N;142.12;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72841;MM72841;CC(=O)N(O)C(C#N)=NO;ZHVGUWRNPNLXNX-UHFFFAOYSA-N;143.1;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72842;MM72842;C#CC(C=C)NN=CCO;WATXRIONIBJLKL-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16403;MM16403;C#CC(=CC)C(O)C(=O)O;DYKOJLICSWSKCJ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72843;MM72843;C#CC(C)(CNC)N(C)C;VBIQDLUVIZSOHI-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72844;MM72844;N#CCCC=NNCCO;ZLDLHRBMHPVTBS-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72845;MM72845;C#CC(=NN)C(C)C(=O)O;ZTCZYSBVHDDZSK-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72846;MM72846;C#CC(=C)N(O)C(=N)N;MDVORLIDHZKRJS-UHFFFAOYSA-N;125.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72847;MM72847;CC#CC(C)(OC)C(=N)N;LXUGLVHTXGZFHF-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72848;MM72848;C=C(COC)OCC(C)N;LETUXBZPJDRYSP-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72849;MM72849;CCC(F)CNCC(C)N;SITGWSPRRDNSDC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72850;MM72850;CC#CC(C)N(N)C(N)=O;DRMGDAUFSMBXLI-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72851;MM72851;C#CC(=C)N=CNC(C)=N;JBHXRUCAPJGGOM-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72852;MM72852;CCNN=CC#CCCO;NUGVSBWRMDZIJW-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72853;MM72853;C=NOCC(C#N)CCO;QHFADSICEMTSBS-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72854;MM72854;CCN(C)CC(C)C=NN;JUOPGDDMOBPUQV-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72855;MM72855;C#CC(OC)C(=O)N(C)N;KRTAYSSDTMBTER-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72856;MM72856;C#CC(=NO)N(C)C(C)=O;ZMXSWSDPVBQRJA-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72857;MM72857;C=CC(O)CC#CC=NN;SBPNYWUYPDXFPH-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72858;MM72858;C=NNCC(C=O)CC#N;ZXJXEJYHHUTCJI-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72859;MM72859;CC=CN(O)C(=NC)NN;HEMJEHLNTCAKBR-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72860;MM72860;C#CC(=NO)N(C)C(N)=O;XULAQGBNRNVQCI-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72861;MM72861;C=NNC=NNC(C)C#N;GDCBHOPLLCKFTI-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72862;MM72862;CNCC(C=C(C)C)NC;RWULKVHMCVUJSW-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72863;MM72863;CCN(CC#N)CC=O;RCTVRYREUWVVSF-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72864;MM72864;COC(=NN)OCC=NN;VTIXGGFGBXFCJE-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72865;MM72865;COC(=O)C(=O)C(=N)N;ITGMPPDROZLVNU-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72866;MM72866;C#CC(=NO)N(N)C(C)=O;CCUXTWJUDWBRJH-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72867;MM72867;C=CC(O)C(C)(C)C(C)N;CXVPZPOKDZYHDN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72868;MM72868;CCN(O)C(=N)C(=N)N;UFNWNXDYEXIPQD-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72869;MM72869;C#CCNNC(C#N)=NC;QYZVADSYAFHYNC-UHFFFAOYSA-N;136.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72870;MM72870;CN=CN(C)C(=O)C=CN;NVZWQFUBHRSVTE-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72871;MM72871;C#CC(=NO)N(N)C(N)=O;KZGVQPHZNHQNLF-UHFFFAOYSA-N;142.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72872;MM72872;C=NNC(=NO)N(C)OC;JNVFPUADQVTYBA-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72873;MM72873;C#CC(=NO)N(O)C(=C)C;YFMDHHASKGJHNU-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72874;MM72874;CC(O)C(C)(N)CCO;YYRANMCPMNUTKR-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72875;MM72875;CC=CC=CC=NO;JVAZBPIFVPVRSK-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72876;MM72876;CC(=NCCC#N)NC=O;CUASKYFCCWJRAD-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72877;MM72877;CC(N)CNCC#CCF;GQXDCMFZDUYQJT-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72878;MM72878;C=C(CNC)OC=CCN;OINMPOBDNAARGR-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72879;MM72879;CC(C)C(=O)C(=CN)CO;RCAWJNYKNDSUKK-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72880;MM72880;CCC(=CN)C(=O)C(C)O;XQJYIHSPIBVZNZ-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72881;MM72881;CC(C)C(=O)C(CO)=NO;UZPWHHINIOFGBZ-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72882;MM72882;C=C(NC=N)C(C)=NOC;XBRXYFCAJDWHJR-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72883;MM72883;CC=CC=NO;UKWWWNDNBRTZFR-UHFFFAOYSA-N;85.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72884;MM72884;C=NNCCC(C)N(C)C;HLPPRNWWOKUXGC-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72885;MM72885;CNNC(=O)OCCC#N;ZJVSKFUJPZTKDF-UHFFFAOYSA-N;143.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72886;MM72886;C=NNC(=NOC)N(C)O;PVIPNECFFUROOI-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72887;MM72887;CC=NN(C)C(=N)C(=N)N;DEWMHEKAZKLUAQ-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72888;MM72888;CNNC(=O)OC;VGXZECGDNVDUKU-UHFFFAOYSA-N;104.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72889;MM72889;C=CCOC(=O)NNC;JCJRAQDEXGTERE-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72890;MM72890;C#CCCC(N)(C=C)CN;GIOTXIBKJSPAQN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72891;MM72891;C=NNCCC(=O)CC#N;XSOCTDUXJODWES-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72892;MM72892;CNNC(=O)OC(C)C;JWPSDIIFDMISNM-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72893;MM72893;CCCOC(=O)NNC;GQOVDCDVZFFEFM-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72894;MM72894;CNC(C)(C=CCN)CF;WKLZFLXKOXEMJU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72895;MM72895;CNNC(=O)OCC(C)C;YJUGLCQORZIGAB-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72896;MM72896;C=C(C)C(C)NNC=O;ASNDUEKOYKGAGA-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72897;MM72897;C#CC(N)(C=C)C=CCN;QMVPRPWZGPDUOB-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72898;MM72898;CC=C(C#N)C(=O)N(C)O;QFKDKXLPCFEOJK-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72899;MM72899;CN(O)C(=O)C(C#N)=CN;YSSHYDUFGJSHBM-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72900;MM72900;C=NOCC(O)CCC#N;IOOQNZQSNVTODC-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72901;MM72901;CN(O)C(=N)C(C#N)=NO;HMKDSZBBDKPUFL-UHFFFAOYSA-N;142.12;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72902;MM72902;C=NOCC(C)(C#N)CO;FCALWGFRPCEWKE-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72903;MM72903;C=CC(CO)=NOCC;BMTOUJOHXFHJIU-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72904;MM72904;C#CC=NNCC(O)C=C;UGJVMSAITOJLLW-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72905;MM72905;C#CC(=NO)C(=C)C(C)O;RINIIHYCWOUIHG-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72906;MM72906;CN1CC1(C=O)CO;FSQTVMSHJFHBLV-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72907;MM72907;C=NN=C(NO)N(C)C=O;HNENDELMSUMVSX-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72908;MM72908;C#CC(C)NCC(C)NC;NNTZIJKHDHXNDA-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72909;MM72909;CNC(C=C(C)CN)CF;PEXJOTIIFPIENR-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72910;MM72910;C#CC(F)C(=O)N(C)N;VQEJTKKLHCLTRC-UHFFFAOYSA-N;130.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72911;MM72911;C#CC(=CN)C(=O)N(C)O;MPJHFYOEFCPCGA-UHFFFAOYSA-N;140.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72912;MM72912;C#CC(F)C(=N)N(C)O;WKPOJLLRRPPXDJ-UHFFFAOYSA-N;130.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72913;MM72913;C=C(CO)NC(C#N)=NC;SCDYKJOYKNWDQM-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72914;MM72914;C=NOC(C=O)CC=O;JNRGSVWCKISROF-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72915;MM72915;CC(=CC(CF)=NN)CO;UQGDLARNKNXXBB-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72916;MM72916;CC#CC(=O)NCCCN;GUTGPHOSHRHGOU-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72917;MM72917;C=NOC(CC=O)ON=C;YQTWIZVGYAFEML-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72918;MM72918;CNN=CN=C(N)C(N)=O;XXMBGWRORHHZRP-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72919;MM72919;C#CC(=NO)C(=O)N(C)C;MKVRVTVLHUFLDL-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72920;MM72920;C=COC(CC=O)ON=C;QZVJNQNTVOHBSO-UHFFFAOYSA-N;143.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72921;MM72921;C#CC(=NO)C(=O)N(C)N;PLGUISGBVFQCRG-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72922;MM72922;C#CC(=NN)C(=O)N(C)O;NBVUTQLLDJCDSN-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72923;MM72923;CC=NOCC(N)=O;IALLOCFKEBIKNX-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72924;MM72924;N#CCCNN=CCCO;CTJTXPJERYPZBE-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72925;MM72925;C=CC(C)=CC(CN)NC;MQYVWCKFKALZIR-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72926;MM72926;C=C(C)C=CC(CN)NC;SMVNMWFWZMYDIK-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72927;MM72927;C=C(C)C(=O)C(C=O)=CN;OLONMTNMSISQJL-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72928;MM72928;C=C(C)C(=O)C(C#N)=CN;MNMUZRGCEVRROI-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72929;MM72929;CC(=O)C(=O)C(C#N)=CN;QPOZZXQXTBFGCR-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72930;MM72930;C=C(CO)CC#CC=NN;YUFXKUIGJPQHJF-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72931;MM72931;CC=C(C#N)C(=O)C(N)=O;OGMRCNZNQGGQJS-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72932;MM72932;N#CC(=CN)C(=O)C(N)=O;IEXFJHHCDHPGTR-UHFFFAOYSA-N;139.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72933;MM72933;C=C(C(C)=O)C(C#N)=NO;QGCTYCRYEZJYTB-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72934;MM72934;C=C(C)C(=O)C(C#N)=NO;HCTJAXIXJQCDID-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72935;MM72935;C=C(OC)C(=C)C(=N)NN;MULDEYBSISQJEE-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72936;MM72936;C#CC(=CF)C(=O)C(N)=O;LWVQBIOGXLLKRV-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72937;MM72937;CCNNC(=N)C=CC#N;TZQXGQGVCNUYHY-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72938;MM72938;CC(C)N=C(NN)N(C)O;YYDVQTHRZHIQAS-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72939;MM72939;C#CC(=NO)C(=C)C(N)=O;VBONLUSKPCCIKI-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72940;MM72940;C#CC(=NO)C(=O)C(C)=O;WMTMKRIUAIJIOW-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72941;MM72941;C#CC(=NO)C(=O)C(N)=O;CPUSSURBTKSFST-UHFFFAOYSA-N;140.1;-1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72942;MM72942;C#CCNC(=N)C(C)OC;SFILPCVHSFMDFC-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72943;MM72943;CC(C#CCN)=C(C)CN;JLBBKSUMWHQCJG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72944;MM72944;C#CC(CC=O)ON=C;DMMZDSQSJSMAKZ-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72945;MM72945;CC(C)=C(C)C(C=O)CO;NJWHQODVGUYOBS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72946;MM72946;CC(F)=C(C)C(C=O)CO;XVQABKAHHHPEJR-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72947;MM72947;C=C(C=CC#CCN)CN;GRBAJABUQDPLDX-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72948;MM72948;C=CC(C)=CCNCCN;XNDAHJWGFOMTMQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72949;MM72949;C#CC(N)C(C=C)=CCN;UWIRQTPQYBGFAR-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72950;MM72950;CCNC(CN)COCC;ZXIPVNSWNJGZII-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72951;MM72951;CCC(CNC)NCC#N;HYDAJXKULMSUHW-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72952;MM72952;CCNN(C=N)CCC#N;KYFBMEZWMYNRQI-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72953;MM72953;C#CC(C)(CO)CNC;NMTIJGUIOXNRRP-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72954;MM72954;C=NOC(C)C(=O)C=O;XSTYKAIGTWXWCD-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72955;MM72955;CN=C(C=O)NC(C)C=O;UKZXKUVKMVPMOC-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72956;MM72956;CCNCCOCC(C)O;SGFCZHBKSJRLED-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72957;MM72957;CC(F)=C(C)C(C=O)=CN;FQEVTMWMCQIILJ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72958;MM72958;CC(N)=C(C)C(C#N)=NO;LOJOAYNGKDPPGW-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72959;MM72959;CC(C(C#N)=NO)=C(N)N;YYFIAWZMEQEEEQ-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16507;MM16507;CC(N)=C(F)C(C#N)=NO;BZURWJNYRUPWHK-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72960;MM72960;CCC=CC(CNC)NC;MEZKZGZUNOJVNU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72961;MM72961;O=CC=NNC=NC=CF;MYMFZSZNSFLSPQ-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72962;MM72962;CCC(C#CCN)=CCN;LTRDNQGEXBAQBY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72963;MM72963;C#CC(=NO)C(F)=C(C)N;DJJVNCDZJLJZMY-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72964;MM72964;C=CC(C(N)CC)N(C)C;DJBMCVIWYNDILE-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72965;MM72965;C=CC(C(C)N)N(C)CC;KEDOBNOPCBFONM-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72966;MM72966;C=CCNC(C=C)C(C)N;KMMDFNWSMJCUEP-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72967;MM72967;C#CCOC(C=C)C(C)N;UIVWTHMKEFHDJK-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72968;MM72968;COC(CO)=C(C)C(C)O;CMDUNWWVDMQTIC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72969;MM72969;C#CC(OCC=C)C(=N)N;DESKOSVFJSCING-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72970;MM72970;CCC(O)C(CN)COC;LQXMILSZBZWZLA-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72971;MM72971;CC(C)C(N)=C(C=O)CO;QGRKRJQICMEPRD-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72972;MM72972;CNC(=NOC)OC=NN;GTNFXWPUFAEATD-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72973;MM72973;CC=NNCC(C#N)OC;DHQPOXJFHWLULZ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72974;MM72974;CN(C=NO)CC#CCF;KUEUWGKIUSFIDZ-UHFFFAOYSA-N;144.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72975;MM72975;CC(O)C(F)=C(C#N)CO;FTOGVNVOTWXOAP-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72976;MM72976;COC(C=O)=C(C)C(C)O;BIYFWZIPKBRPCB-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72977;MM72977;CNNC(=O)OCC#N;AEMKHLQEOJTIOG-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72978;MM72978;C#CC=CC(=N)NC(C)=O;YTGXNSXGFRSUJF-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72979;MM72979;CNC(C=CCN)C(C)F;WZKMDPIGGXOJOW-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72980;MM72980;COC=CC(OC)C(C)N;MMHYCLKPGSJRHT-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72981;MM72981;CCOCC(C)N;UHUULJTYNNNPQR-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72982;MM72982;CN=C(NO)C(=N)N;GFFPQNFSSDARAN-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72983;MM72983;CN=CNC(=O)C=CC#N;VBIRVFCTQQDINH-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72984;MM72984;C=NN(C)C(=O)NNC;HMEYDWXXPBRKJX-UHFFFAOYSA-N;130.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72985;MM72985;C#CC(CO)=C(F)C(C)O;WTHFFRYPRSIFIX-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72986;MM72986;CC(O)C(N)=C(C#N)C#N;YMCWXFWQLUNRFV-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72987;MM72987;CC(O)C(F)=C(C#N)C#N;DWHRTWORUVDCBE-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72988;MM72988;CC1C(N)C1(C)N;NPNUFQXMCIZGQD-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72989;MM72989;CCOCCNC;QWEJWXUAXUMVFU-UHFFFAOYSA-N;103.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72990;MM72990;C=C(C)C(C)(N)CN;JHRDWBCZBDGWSV-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72991;MM72991;C#CC(C=O)=C(C)C(C)O;OUDUEFDIONBZQT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72992;MM72992;C=C(CO)C(C)(C)N;FXGQUYFIPYZQKQ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72993;MM72993;CC(N)COC(C)C;OVBQUDFVVLIUPF-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72994;MM72994;C=CCOCC(C)N;ZFJHYZSNWJMEFW-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72995;MM72995;C#CCOCC(C)N;XOFDJLARQQMMDK-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72996;MM72996;C=CCC(N)COC;NUCIPTHEMHXHLM-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72997;MM72997;C=CC(CO)=C(C)C(C)=O;WVGCTKPTNPOFJX-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72998;MM72998;C=CC=NNCC(O)C#N;MBAIRXRSSNRVCZ-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM72999;MM72999;CC(=O)C(N)=C(C=O)CO;ZBSOYTTXWUXVNC-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73000;MM73000;CC(C)OCCC(N)CO;YRCBJQIYTAEALS-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73001;MM73001;CC(N)C(N)C(C)N;QSVOLNPEFFYCIN-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73002;MM73002;CNNC(=O)OCOC;WOYUXLGOWZFQIG-UHFFFAOYSA-N;134.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73003;MM73003;CC#CCOC(=O)NNC;YSQWKAHQHJVSQB-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73004;MM73004;COC(C#N)=C(N)C(C)=O;NPWPNNXAGNVWQF-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73005;MM73005;CCN(C)C(C)CN;JWDYUDYLASJGRH-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73006;MM73006;C=CC(OC)C(C)N;KKSMGQLHBQPBBK-UHFFFAOYSA-N;115.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73007;MM73007;C=CCOCCNC;KYSOMVASXGZGSI-UHFFFAOYSA-N;115.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73008;MM73008;CNCCOCC#N;LZSLDGOWOFQBKJ-UHFFFAOYSA-N;114.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73009;MM73009;CNCCC#CC#N;KCDFELZUQNGSJW-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73010;MM73010;C#CC(O)C(C#C)C=NN;XRAHKCXAKZLRFD-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73011;MM73011;CC(C)C(O)C#CC=NN;YMBCDKJADDZQTG-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73012;MM73012;COCC(O)C(C)=NN;JTCZUDSKYPSHBJ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73013;MM73013;CC(C(N)=O)=C(C#N)C#N;WGJXGVYXMSKEOJ-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73014;MM73014;C=CC(C=O)=C(N)C(C)=O;UEANUAWHEZQVHV-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73015;MM73015;CC(=O)C(N)=C(C#N)C#N;ATXOCHQGNJCVGE-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73016;MM73016;NN=CNN=CC(O)CO;JWRJARWPXUUNKY-UHFFFAOYSA-N;146.15;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73017;MM73017;N#CC(C#N)=C(N)C(N)=O;DSGCOSJBLXYNSW-UHFFFAOYSA-N;136.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16099;MM16099;C=CC(C#N)=C(N)C(=O)O;HKXSZNAPYOLGIQ-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73018;MM73018;N#CC(C#N)=C(N)C(=O)O;KYKNLNILFDKEDL-UHFFFAOYSA-N;137.1;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73019;MM73019;C=C(C=CF)CC(N)CO;JDLSMXMYCJLQHK-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73020;MM73020;NCC#CC=CCN;JEVZDIBCEXGXOP-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73021;MM73021;C#CC(C#N)=C(C)C(N)=O;ACPXLVQFEMTWPW-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73022;MM73022;C=COCC(CN)C(C)O;JBVOCBGZXGEIQI-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73023;MM73023;CN=CNNC(C)(C)C;UEUOKYXEBWWWHR-UHFFFAOYSA-N;129.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73024;MM73024;C#CC(C#N)=C(F)C(N)=O;VFADDRMSCMIJSN-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73025;MM73025;C=C(CC)C(C)(N)CN;SXHKPUXRHGTSPS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73026;MM73026;C#CC(C#C)=C(F)C(N)=O;OPTQUCKZINYQAO-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73027;MM73027;C#CCC(N)CC(=C)CO;WVHPIERIZHCXPP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73028;MM73028;C#CC(C)CNCC(C)O;VQBZJHYYVOMBKG-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73029;MM73029;C=NOCC(C)(O)CC#N;LWPISXLJRDDFCC-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73030;MM73030;CC=C(C)C(C)(N)CN;MWADZABDZQXDTI-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73031;MM73031;CC=CC(N)(CC)CN;YADGKINCNYYCKW-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73032;MM73032;C=NNCC(F)C=O;ZVYKZRRAVGMKSP-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73033;MM73033;CCCOCC(O)C(C)O;RVZFSKJSVXYOOV-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73034;MM73034;C#CC(=C)NC(=N)CN;FCJAFQOPBHQHBV-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73035;MM73035;CC(N)COC(C)CF;VDJBUIQAGCRPDH-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73036;MM73036;CC(F)CC(O)C=NN;ZZSROTKLAKMMMK-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73037;MM73037;C#CC(C)OCC(C)N;IJDXPAHBQLBPOJ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73038;MM73038;CNCCOCC(C)F;PGXVGEMEKOHRHT-UHFFFAOYSA-N;135.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73039;MM73039;CCOCOCC(C)N;JYIDZIYQDFWYJI-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73040;MM73040;C=C(C)CNCCCF;KETBUBWLDWNXCR-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73041;MM73041;C=NOCC(F)CO;CDDTYAYIBMDAOR-UHFFFAOYSA-N;121.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73042;MM73042;CC(O)C(O)CCCC#N;HPLMZJSWAQOEPJ-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73043;MM73043;C=C(C)COCCNC;HEOOOJVJADERIS-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73044;MM73044;COCCC(CO)=NN;PBRCAQSMBMSIOJ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73045;MM73045;CC(O)C(C)CCNC=O;OLTBCDIUMARHEY-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73046;MM73046;CNCCOC(C)OC;BPZPWCRNINJRFM-UHFFFAOYSA-N;133.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73047;MM73047;C#CCCC(CO)=NN;OCCFMCLDCYZDIN-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73048;MM73048;CC(C)C(O)CCNC=O;KUQCQULRCPBRJP-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73049;MM73049;C=CC(CO)=NNC=NN;JKYUYHPFONFTJE-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73050;MM73050;C=CC(=C)CNCCN;XQGANRNZKHXTJA-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73051;MM73051;CC(=CC#CCN)CN;QGWOSCVLHXKWCO-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73052;MM73052;C=NNC=CC(=O)C(N)=O;CBZGPGOIPHDUIQ-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73053;MM73053;C#CC(OCC)C(=N)N;QZGBQUAUTANHBI-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73054;MM73054;CNCCOCCCF;YOEIOXSIZAMJDS-UHFFFAOYSA-N;135.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73055;MM73055;NCC(CO)CF;GQHGBMZORNZQAB-UHFFFAOYSA-N;107.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73056;MM73056;CNCCOCCOC;CKXAGUOIDSMMPP-UHFFFAOYSA-N;133.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73057;MM73057;C#CCNN=CCO;FOZVVHLDIBLWDV-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73058;MM73058;CNCCOCCC#N;WDIQHXCTBOHAMJ-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73059;MM73059;C#CC=NNCC=CCO;HYBZMKUROODMFZ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73060;MM73060;C=CC(N)CC(F)=CCO;ISKFMIBDARQRES-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73061;MM73061;C#CCCOCCNC;AREIQLQZCKJIKH-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73062;MM73062;C#CCC(=NC)NCCO;NUODZAFLVIAFIR-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73063;MM73063;CNCCOCC=CF;OAQOIFDDRWTWCG-UHFFFAOYSA-N;133.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73064;MM73064;CN(C)CC(N)C(C)(C)N;QAORKDMWSNJHCG-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73065;MM73065;CC(C)C(O)COCC=O;DPEPYVNKVIHNOE-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73066;MM73066;CC(C)C(O)COCC#N;FHDDNXYSUMYZMB-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73067;MM73067;CC(O)C(F)COCC#N;NAKHTRZBRQZSNH-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73068;MM73068;CN=NC(=CNO)N(C)N;GLHINJRRRLHYAI-UHFFFAOYSA-N;145.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73069;MM73069;CC(C)=C(C)C(C)(N)CN;JIHNMQSPSRHFNN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73070;MM73070;COC(C)(C)OCC(C)N;QJVHEMZAVPUYIO-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73071;MM73071;C=CC(C)(N)CCO;VMZCYPIHGZCOPP-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73072;MM73072;CCC(N)(C=C(C)C)CN;LKKMYOQTJHXVOX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73073;MM73073;C#CCC(C)(C)C(N)CN;BDIKEZFXEXUJOR-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73074;MM73074;CC=NOCC=O;AMEPLRDVOTWHEA-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73075;MM73075;CC(N)(CCF)COC=O;XIEXUCXPTINSFW-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73076;MM73076;CCC#CC(C)(N)C(=N)N;UFHPXFALRGLVRN-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73077;MM73077;C=C(C)C(=O)C(N)=NNC;LEMVBGYZPZGFAW-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73078;MM73078;C=C(C)OCOCC(C)N;XSGMSAWOBAUQHF-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73079;MM73079;C#CC(=C)C=NNC=NN;FDCDOURQWGAJCA-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73080;MM73080;C#CC(NC)C(C)(N)CC;AYXRGFALGGHJKH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73081;MM73081;C#CC(C)N(C=NN)N=C;KWFVGYLDLCZRHX-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73082;MM73082;CNCCOC(C)(C)OC;QEBPLHMDQMWVNK-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73083;MM73083;C=NNC(=N)OC=NNC;STUAEPOUMKHTDQ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73084;MM73084;C=C(CCC)C(C)(N)CN;QVJGLJLYEWIOTI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73085;MM73085;CC(=O)CN(C)CC#N;TXHHSDPWFOPQTE-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73086;MM73086;C=NNC(C#N)C=COC;XLPWCCKZSYSWOU-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73087;MM73087;C=CCC(=C)C(C)(N)CN;LJVYXTRWDMGZBP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73088;MM73088;CC(=CCF)C(C)(N)CN;WFSGTBBXKYBSAR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73089;MM73089;C=COC(=C)C(=O)NC=N;AATILLQCVHMTLG-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73090;MM73090;CC=CC(N)(CN)CCC;BFDHJMIGOXDIPW-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73091;MM73091;C=CC=NNC(=O)NNC;AOLRLDUELKYJFK-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73092;MM73092;C=CCC(N)(CN)C(=C)C;SLTLVCMXGMSYSQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73093;MM73093;C#CC(N)CC(C)N(C)C;IJQYVLCPOFYXQT-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73094;MM73094;C#CC(=N)N=C(C)NC=O;XSYWNUMXMWDNNN-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73095;MM73095;C#CC(=C)NC(=N)C(C)N;QOHUYTZAWFQWHM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73096;MM73096;C=NOC(C)OCC(C)N;VGOZZUUPMMEMOK-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73097;MM73097;C#CC(C)CNCC(=C)C;ZYPHFVBKHMQHTP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73098;MM73098;C=C(COCC(C)N)OC;JOINCDHEKMSLOJ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73099;MM73099;C=CC(C)N(C)CC(C)N;PKTYVDBYGIOODX-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73100;MM73100;CCCOCOCC(C)N;ICJZBUZWIYIKKN-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73101;MM73101;C#CC(C)(C)C(=O)NC=N;VSOSKNAQRYZESE-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73102;MM73102;C=NOCCOCC(C)N;AMWNJWSVPYLGSI-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73103;MM73103;C=CCOCOCC(C)N;UNNTVXMFLUNTEK-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73104;MM73104;COC=CCOCC(C)N;FCYSRPSKWHJKNE-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73105;MM73105;C=C(C)C=CCNCCN;NOUCTZWKUBMZBQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73106;MM73106;CNCCOC(C)CC#N;XHCRTNPLVHIEOX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73107;MM73107;CC(=O)C(C)OCCCO;LMPIGRYWUMHWPI-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73108;MM73108;CN(C)C(=N)NN=CC=O;WHNQQEUGMPVCPO-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73109;MM73109;C=NOC(C)OCCNC;BDXJQJGGQFJOOD-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73110;MM73110;C#CCC(N)CNCC=C;FOWLGRIXWGSGJY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73111;MM73111;CC#CCNC(=N)CNC;ALQDTMYXNJVTKX-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73112;MM73112;C=C(C=CC)CNCCN;FFBNNRFJSUOWDU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73113;MM73113;CNNC(=N)C(C)=CC#N;GNJRGDKZHHAATQ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73114;MM73114;C=C(C)C(=C)CNCCN;UGLCBWNSVDQCQH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73115;MM73115;COCCCN(O)C(N)=O;STEGFFRVHOCWPA-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73116;MM73116;CN=CNNC(C)C(C)F;ISURMUKWAQSGDL-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73117;MM73117;CC(C=NN)C(C)N(C)C;DZTNQUDAFOJLKD-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73118;MM73118;C#CCC(CC#N)CNC;CYKFVSWPPSULQV-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73119;MM73119;CC=NNC(C)C(O)C#N;XIZIPQVQIIHPRI-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73120;MM73120;CCOC(C(C)N)C(C)N;MDPZQAWIXBLZCN-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73121;MM73121;C=CC(CC)=NO;ANIVPZHWIIHPGT-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73122;MM73122;CC(=O)N(C)OCCCF;YJUVFUJPLBOAHG-UHFFFAOYSA-N;149.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73123;MM73123;CC=CC(C)=NO;ODJDPMLKZFPXSG-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73124;MM73124;COCCON(C)C(C)=O;LSXKSIMEGIVPMG-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73125;MM73125;CCC(N)(C=CCF)CN;DACRZQDAIXLDKJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73126;MM73126;CCOCON(C)C(C)=O;QMFBLNBTFKJRLA-UHFFFAOYSA-N;147.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73127;MM73127;C=CC=CC(N)(CC)CN;AJTBXKPNGFMKEE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73128;MM73128;C=NOCCCC(O)C#N;NMOJLSGPJWHCBT-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73129;MM73129;C#CC(O)CON=CC;PNPJYOZYPONKFF-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73130;MM73130;C=CC(OC)OCC(C)N;VTNYDVIECZABBH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73131;MM73131;C#CC(CF)OCC(C)N;NRZIIUOJOICEAR-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73132;MM73132;C#CC(O)COCC=NN;LDPVFPQBCBAQGS-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73133;MM73133;C#CC(C#C)OCC(C)N;DWVNJLVJVSXMTA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73134;MM73134;C=CC#CC(N)C=CCN;CPMXIVBOVISOKW-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73135;MM73135;C#CC(N)C(=C)C=CCN;DBCZXIPRMMZHRK-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73136;MM73136;CC#CCCNNC=O;QVIUMYFSRDCGQP-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73137;MM73137;CC(COCC#N)C(N)=O;IJVJWBAOURFWGR-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73138;MM73138;C=C(C)C(O)COCC#N;GBTLDEOZNCCATD-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73139;MM73139;C=C(CC)CNCCNC;RYCNOFFPJUCWFY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73140;MM73140;C=CC(=C)COCCNC;RFQQNFLJJYBUDJ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73141;MM73141;CC(OCCC#N)C(N)=O;DWWXHXFUMUZYBP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73142;MM73142;C=C(C#N)COCCNC;DAESKRAZAUSKLK-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73143;MM73143;C#CC(=C)COCCNC;GVBHVUYSQJRXNL-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73144;MM73144;C=NNCC(C#N)C(C)=O;QXEUUMODZOPVIH-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73145;MM73145;CC=C(C)CNCCNC;CSVDNYXCLXZQIZ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73146;MM73146;CN(CCCC#N)C(N)=O;CRZDLVTZLPCJLA-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73147;MM73147;C=CC(N)CC#CCNC;IWMYNVFLAIFKKJ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73148;MM73148;CC(=O)NNCC=C(C)C;VRKPHSCVZXFWNO-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73149;MM73149;C=C(C#CCO)C(C)=NN;SCPCOMMGWSRHLC-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73150;MM73150;NCC=CC=CC(N)CF;DBBVAUJCJZPMSW-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73151;MM73151;C#CC(N)C=CC=CCN;WOZQUPSTNICKFG-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73152;MM73152;C=CCCON(C)C(N)=O;WHHVGPDOQZRLNP-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73153;MM73153;CN(OCCC#N)C(N)=O;ORAMGBFZPQAROK-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73154;MM73154;C=NOCOCC(O)CO;IMQDXMIZKSNGBT-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73155;MM73155;CNC(C)C(=CCN)OC;SIFVYBNGSLFNAL-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73156;MM73156;C=CC=CC(CNC)NC;NPQBMFLFMWBPKY-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73157;MM73157;C=NN=C(C=O)CCNC;TXKZWVSXVZFMMI-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73158;MM73158;CCC(N)C(CN)=C(C)F;JTESWXMCAPPBFT-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73159;MM73159;C#CC=CC(OC)C(C)N;USBDWEAYKNQCFD-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73160;MM73160;CNCCOC(C#N)OC;UFFHVGZIWPVUHQ-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73161;MM73161;C#CC(C=C)OCCNC;CONQEBNDPXWYCN-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73162;MM73162;CCOCCC(=O)C(C)O;KZAZKFFRRJFARE-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73163;MM73163;C=CC(=CC)CNCCN;ULKQTFOURROGES-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73164;MM73164;CNCC=CC(C=O)=CF;MPOCCCWVYZTNDT-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73165;MM73165;C=CCC(C)N(C=N)NC;NCMMGHCLZPZRAG-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73166;MM73166;C=CC(NC)C(C)CCO;FRAHMGZHQUBMRQ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73167;MM73167;C#CCC(O)C(C)=NN;LQIFROFEXVSEKF-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73168;MM73168;CNCCOCCCC#N;VXWZMHBNKLPVIM-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73169;MM73169;CCCCOC(=O)C(C)O;MRABAEUHTLLEML-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73170;MM73170;C#CC=CC(O)C=NNC;VZRQQCMNUKKGRE-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73171;MM73171;C=C(OCCOC)C(C)O;LKACAMOXWFHNJT-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73172;MM73172;C=CCOCOCCNC;GLLLTPNXLJBKIJ-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73173;MM73173;CC=NOCOCCNC;RJROGBCJJJQAKC-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73174;MM73174;NCCN;PIICEJLVQHRZGT-UHFFFAOYSA-N;60.1;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73175;MM73175;CNCCOC;KOHBEDRJXKOYHL-UHFFFAOYSA-N;89.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73176;MM73176;C#CC1CC1N;OWMGVYBSPWDSPH-UHFFFAOYSA-N;81.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73177;MM73177;CNCC(C)CC#N;BKFSZWPPZLVXEW-UHFFFAOYSA-N;112.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73178;MM73178;COCCC(=NN)C(C)O;XWQMTDPRTROFEL-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73179;MM73179;C=CC(N)(CC)CN;QUJKOHNJAVXCCZ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73180;MM73180;C#CC(OC)C(=N)N;DODBTTGIGBDHIE-UHFFFAOYSA-N;112.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73181;MM73181;C=C(F)C(C)(N)CNC;KPYAEHROLVABKJ-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73182;MM73182;COCOCC(=O)N(C)C;IMNFFUUNHIENEG-UHFFFAOYSA-N;147.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73183;MM73183;C#CC(CO)OCC=NN;LBVSAOVZHUTYDX-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73184;MM73184;CC#CC(C)(N)C(=N)N;DOLGCJAAAJTILA-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73185;MM73185;COC(CO)C(C)=NN;MZVFFUJSODYRKJ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73186;MM73186;C#CC(=NN)C(=C)C(C)O;MWCHVQIWVPRXLP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73187;MM73187;CCCCNC(=O)N(C)O;CDWLHEDABRABRI-UHFFFAOYSA-N;146.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73188;MM73188;C#CC(C)N(C)N=CCO;ZUFYSENDCVFXPC-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73189;MM73189;OCCC=NOCCO;IJWHKXBAPWWIOF-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73190;MM73190;C=NNC=NN=CN(C)O;XALWGZGDZWABMN-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73191;MM73191;C#CC(C)(C)C(N)CN;XPUGLDXOWUBVRL-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73192;MM73192;C#CC(N)(CC)CNC;NSWJETXTTIHJEB-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73193;MM73193;C=NN(C=NNC)CC=O;HWNCQKGQJAOKCW-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73194;MM73194;C#CC(C)(C#C)CNC;WXMHGAQSGRRKEF-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73195;MM73195;C#CC(N)CNC(C)C;XKBVTMDNTBJSHK-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73196;MM73196;C=C(C)C(CCCO)NC;LOYMKSDWMFYOEU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73197;MM73197;CNNC(=N)C=CC#N;FDFYMZIOSCFZES-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73198;MM73198;C=NNCC(=O)CF;RJFOQBGWTSJLAV-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73199;MM73199;CC#CC(N)C=CCN;XINPPYIRPDNEDU-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73200;MM73200;CNC(C)C(C=O)CC=O;WPXWQHYPDWJHJJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73201;MM73201;C=CC(CF)=NNCCO;IGEFEAUXMGKGLD-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73202;MM73202;C=C(COCC=O)C(C)O;UXOASGZIYQBTCA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73203;MM73203;C=C(COCC#N)C(C)O;YTRZUAZCQZADFW-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73204;MM73204;CC(C)C(=O)COCC#N;LULSTLGLSRJLRD-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73205;MM73205;CC(O)C(=O)COCC#N;DHZJMPUWKDCJIC-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73206;MM73206;CC(O)C(=O)NCCC=O;BMLNEOFIUSUGPC-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73207;MM73207;CC(C)C(=O)NCCCN;GZHDSRBTCOHPIG-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73208;MM73208;C=C(OCCC#N)C(C)O;QBLRXQKPFKWVPM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73209;MM73209;C=CCCOC(=O)C(C)O;JUMWMTWQAVPKAV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73210;MM73210;CNC(=N)C#CC=NN;UJKZAKRGGDYZFV-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73211;MM73211;C=COCOC(=O)C(C)O;MSVCWEFUWBOFFP-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73212;MM73212;CNN=CC(C=O)=CCO;AMYRGTDUCAVESW-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73213;MM73213;CCC(CN)C(C)NC=O;QPUQQBMEPBDAHL-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73214;MM73214;CC(CF)C(=N)NC=N;HEOUAPJIVHTDKG-UHFFFAOYSA-N;131.15;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73215;MM73215;CNC(C)(C)C(C=O)CF;OGVOLVDRXCEUTL-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73216;MM73216;CC(=CCN)C(N)CF;NSFILQBRXPDXJG-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73217;MM73217;C=C(C)C(CCF)NC;LJFHOSDJUCGUHW-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73218;MM73218;CC(=O)CC=NNC(=N)N;VKMLEZPYKINBBN-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73219;MM73219;CNC(C=CF)C(C)N;KANYOEJWJYDCNJ-UHFFFAOYSA-N;132.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73220;MM73220;CNCC(C=O)C(C)OC;WLEWCCHBSSHEKM-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73221;MM73221;CNC(C)C(C)=CC(N)=O;UWFHHHXXPHQGKK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73222;MM73222;CN=C(CCF)N(C)N;KTZXSGLFIFRFSO-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73223;MM73223;CC=C(OC)N(C)C=N;GZBBAGYZFPMVQP-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73224;MM73224;COCC(CCO)=NN;TYXLLJGPIUNINB-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73225;MM73225;CCC(C=CC(N)=O)NC;LOMBEOZGKIBJOJ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73226;MM73226;CNN(C=N)CCC#N;BHMLPMJOHNHPOF-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73227;MM73227;C#CCOC(=O)CC=NN;GTQZWOXBOWJCSM-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73228;MM73228;C=CC(C#CC=NN)CO;MTMHMEQNLRSLBD-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73229;MM73229;CN(O)C(=O)NNCC#N;RGGQMDWWXBECNV-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73230;MM73230;C=NNC=NC=NOC;BYBVFVSCNWAANI-UHFFFAOYSA-N;128.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73231;MM73231;CN(O)C(=O)NOCC#N;INKWWGIEUMFEMB-UHFFFAOYSA-N;145.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73232;MM73232;C=C(C)CC(N)CN(C)C;GWPZBMXPHREOBS-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73233;MM73233;CC(N)CN(C)CCCF;RVZUEZCMIMFYID-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73234;MM73234;C=NN(C=NNC)C(=C)C;IDKIFUBKNGTJMT-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73235;MM73235;C#CCCN(C)CC(C)N;JNEYVFNJMNJBCM-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73236;MM73236;C=CC(C)(C)NCCNC;HOXADGXUSOGVSN-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73237;MM73237;C#CC(N)(CCC)CNC;YDTCEMKDFFDTTR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73238;MM73238;C=COCOC(=O)N(C)O;JTKMKSVTLMNOAH-UHFFFAOYSA-N;147.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73239;MM73239;C#CC(C)(OCC)C(=N)N;XAERPXXCYOWUNV-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73240;MM73240;CNC(CC=O)CCC=O;NOKNVQUWDBCMQG-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73241;MM73241;CNCC(C)NCC(C)F;KRRBVKIONRPMMC-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73242;MM73242;CCC(=N)NC(=N)CC#N;ZDTXWOFVBDGFAD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73243;MM73243;CNCC(C)NC(C)CF;CNBUCCWILCJKBH-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73244;MM73244;CC#CC(N)C=C(C)CN;NFTORBQPIJKLPB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73245;MM73245;CCNC(C=C(C)C)CN;OVHHOGJWJRHTAF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73246;MM73246;C=NNC(=CC=O)OC;LTECBDSGYSMFTF-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73247;MM73247;C=C(COCCO)C(C)=O;UKKZNQAKLQMRCW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73248;MM73248;C=C(C)C(=O)COCOC;VKNYXDGCHLPGQI-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73249;MM73249;CCCCNC(=O)C(N)=O;MAIURHHAZPZPGJ-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73250;MM73250;C=NNC(=N)NCC=CF;GUAHNDMAQGFZMS-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73251;MM73251;CNC(=NN)C(=O)OC;QMUUOMWYMKUNEN-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73252;MM73252;C=C(OCCCO)C(C)=O;UVUDEOPRQLBIIB-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73253;MM73253;C#CCNCC(N)CC=C;BRZJTNKBZVATFV-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73254;MM73254;CN=CN(C)CC#CC=O;KNMXEYIOXNIGJH-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73255;MM73255;C=COC(=O)C#CCCN;WHZDTHUSXGUSHV-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73256;MM73256;C#CC(CN)C(C#C)OC;UJYAHHVMHSMWLB-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73257;MM73257;C=CCCCC(=O)C(C)=O;MNJCZWVCOPHNOO-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73258;MM73258;N#CCCCC(=O)C(N)=O;CKZIXGHSIJAMGW-UHFFFAOYSA-N;140.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73259;MM73259;C#CCC(=NN)NOC=O;KTXAZISZOHVZCP-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73260;MM73260;C=NNCC(=O)CCC#N;IUQXPERJOUJCFU-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73261;MM73261;C=NNCC(C)(C#N)C=O;ASYRUJOOFHALRW-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73262;MM73262;CC(=O)C(C)=C(C)N=CN;JBSNYHJMJRWSIB-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73263;MM73263;C=C(C)C(=NNC)OC;KZAVUPFGEMPITP-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73264;MM73264;C=C(C)C(=O)CCOC=O;BGIVQBQGDLGXKO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73265;MM73265;C=NN=C(CF)NC(=N)N;LVQUQXXZNFDGDZ-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73266;MM73266;CN=C(NC)NOC(C)=O;IQCNHGHBCVZEHS-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73267;MM73267;CNCC(C#CCN)CF;HIYZRRWBVZJZQQ-UHFFFAOYSA-N;144.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73268;MM73268;C=NNC(=N)C(=N)N;QTOWVBYVCZXREM-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73269;MM73269;C#CC(CNC)C(=C)C=O;OSIGWLNRRWERFT-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73270;MM73270;CC=CC(N)C(N)CCF;OYSONGDWWUGASD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73271;MM73271;C#CCOCC(=N)N(C)N;HJDXRECDQIEWEW-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73272;MM73272;C=NNCC(C#N)OC;GKENUEZYCXADAL-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73273;MM73273;C=C(C)C(=O)COCC#N;VQRHTBWXESXYFU-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73274;MM73274;CC(=O)C(=O)COCC#N;CINVLROVXUEAPE-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73275;MM73275;C=NNC(=NC)OCC#N;JSVOXDWKOXIFGJ-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73276;MM73276;C=CC(=COC=O)NC=N;SKWCQWZWBGDGLK-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73277;MM73277;CN=C(C=CN)N(C)N;YRLCEDIQXXZZLO-UHFFFAOYSA-N;128.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73278;MM73278;CC(N)C(C)OCC=NO;QTPGXLGPOXHKIQ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73279;MM73279;CCC(N)COCC=NO;WEYHCROVRCJCNS-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73280;MM73280;NCC=CC(=O)OC=NO;VUPJFMMLIXSURB-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73281;MM73281;C=NNC(C#N)C(=C)OC;LFMMCHJYZRTCLI-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73282;MM73282;N#CCCNC(=O)C(N)=O;ZXEOGYFLRNUPNF-UHFFFAOYSA-N;141.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73283;MM73283;C=NNC(C)C#N;VJNFRMPGTIMZPX-UHFFFAOYSA-N;97.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73284;MM73284;CC(=O)C(=O)NNCC#N;ULYMPMQXCBGYRY-UHFFFAOYSA-N;141.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73285;MM73285;C=NNCC(C#N)=NNC;OVYUUEIHDVRLEE-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73286;MM73286;N#CCON=C(N)C(=O)O;DCJAMNDTJJXXFO-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73287;MM73287;C=C(C)C(=O)NOCC#N;CAKGVNFAASCBIA-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73288;MM73288;CCCC#CC(N)C(=N)N;LLOPCTDXFLSQPW-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73289;MM73289;C=C(OCCC#N)C(N)=O;WTZMLIMEIVPBFI-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-(2-cyanoethoxy)prop-2-enoic Acid";MM03070;C=C(OCCC#N)C(=O)O;FPBYDGFFSWUWBP-UHFFFAOYSA-N;141.13;0.51;53811032;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73290;MM73290;C=CCCOC(=O)C(C)=O;ZLHCEVRDZWNNCH-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73291;MM73291;CC=CC(CNC)NCC;BLVIFCARAWBJLO-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73292;MM73292;C#CC(C)(C=CCN)NC;HMKBMMKXQIRQRG-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73293;MM73293;C#CC(C=C(C)CN)NC;VBTSCGQSARGKQT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73294;MM73294;C=COCOC(=C)C(N)=O;DPSXERIDXCELNO-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73295;MM73295;C#CC(N)C=C(CC)CN;BKIQULUSYGARQH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73296;MM73296;C#CC(=NO)N(C)C(=N)N;KAUIPLXPFKPCSR-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73297;MM73297;CN=C(C#CC(C)N)NC;ZOWKCZTVNRLEAX-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73298;MM73298;CC=C(C#CC(=N)N)C=O;MNIDSNXGNVQYFQ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73299;MM73299;C#CCOCC(=O)C(C)=O;YKHGUIGSNYMWGV-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16476;MM16476;C#CCCN=C(N)C(=O)O;LZPKHGMARRAFNN-UHFFFAOYSA-N;140.14;-0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73300;MM73300;CCC(C)C(N)C(N)CF;XHYDURIPDDVQMA-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73301;MM73301;C#CCON=C(N)C(=O)O;KEAZTSMMESCKJR-UHFFFAOYSA-N;142.11;-1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73302;MM73302;CCOCC(C)NCCN;JPYWSCNFYGCXCW-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73303;MM73303;C=C(C=O)NC=NOC;FFRVGQJNOOMLNI-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73304;MM73304;CN(C)CCCC=NO;FXHUQLCJGRTYGW-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73305;MM73305;C#CCNC(C)C=CCN;OLSDYHFIIKRHRU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73306;MM73306;CC=COCC(O)C(C)O;VLNIVMSUPFSIBU-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73307;MM73307;C=C(C=NO)NC=N;HVCNRMXKDRNLRJ-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73308;MM73308;NCCC#CC(F)(F)CO;QZUMBQVCOOLKEP-UHFFFAOYSA-N;149.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73309;MM73309;C=NNC(=NO)N(O)CC;HFRDUZYBSJLBJJ-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73310;MM73310;C=C(OCC#N)N(C)C=N;JKFRRKDPZVJOAD-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73311;MM73311;CC(C#CC#CCO)CN;UOUTVLOCXSNHBK-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73312;MM73312;C=C(OC)C(=N)NCC#N;ZJGWUASAKWRPHB-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73313;MM73313;CC(CCC=NN)C(=O)O;MCHXEESNCVZRFX-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73314;MM73314;C#CC(O)(C=CC)CCN;RVSPGHCUJGIKAK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73315;MM73315;C=CC(CN)C(O)C#CC;QWPMSJHTXYRDGB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73316;MM73316;C=CC(O)(C=C)C(C)N;YVRHDCGLFZSTPR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73317;MM73317;C#CC(=C)C(=C)NC=NO;AFHVCWUBEGSBBY-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73318;MM73318;C=C(C)C(C#CCO)CN;ILRRDIPSAKLYOW-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73319;MM73319;CCC#CC(=O)NNC;GPHCROJDZZXHKH-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73320;MM73320;C=C(CN)C(C)C#CCN;XXVQJVLSKNEINM-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73321;MM73321;CCNCC(C)(O)CF;RYUFZADIFDLHLH-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73322;MM73322;CC#CC(F)(CO)CCN;MZMQWCMFALIYLO-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73323;MM73323;CC=COCC(O)C(C)=O;BRZAHZCMKSVNNT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16452;MM16452;CC=COCC(O)C(=O)O;PKKZOYCDXZHHIP-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73324;MM73324;C=CCC#CC(=O)NNC;ZJIDJQOWYFLFCW-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73325;MM73325;C=CC(=C)CNNC=NC;MXBNXPLFGCFQIK-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73326;MM73326;C#CC(C=C)C(O)C(C)N;VEOLLDPLBNHHGR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73327;MM73327;C#CC=C(C)C(O)C(C)N;NVKIHKNUTAWNJI-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73328;MM73328;CC(OCC=CF)C(N)=O;LAZWBFUORLMIBF-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73329;MM73329;CC(=O)C(C)OCC=NO;VMPBBSMBKNHLCY-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73330;MM73330;C#CCC(=C)C(O)C(C)N;AWPUMSZYSKVPQC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73331;MM73331;CNN=CC#CC(=N)NC;QRECDZAEIRABJY-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73332;MM73332;C=C(C)C(O)C(C)N;MBQMRUYRTASWMG-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73333;MM73333;C=NNC(C)C(O)C#N;QCXAYWHQZJGZFK-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73334;MM73334;C#CC(F)=CC(O)C(C)N;NKXLBHPKOKZPBA-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73335;MM73335;C=CC(F)=CC(O)C(C)N;GFQNRUJWAZDQBD-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73336;MM73336;CCOC(CN)C(C)NC;WMFXMEASNOZHMP-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73337;MM73337;C#CCN(C)C(=N)C(C)O;AKVYRZSHDPJCIS-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73338;MM73338;C=C(COC=NO)C(C)O;KPJYBPRCUSIVHI-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73339;MM73339;C=COC=CC(O)C(C)N;DZAWKDHLDGWVJO-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73340;MM73340;C=CC(N)C(C#CC)CN;OWSSVIQTCFHNAE-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73341;MM73341;C#CC(C)=CC(O)C(C)N;OIUJITGLFXKDEM-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73342;MM73342;CC#CC=CC(O)C(C)N;NSKKHCYOJCLQKV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73343;MM73343;CC(C)C(=O)NCC=NO;NFLAYYKCSOWYIQ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73344;MM73344;CC(O)C(=O)NN=CNO;SOPSKVBYZFBWCV-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73345;MM73345;C#CC=CC(O)C(C)N;SRTRAINTENOLES-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73346;MM73346;C=CC(C)=CC(O)C(C)N;GNHBCTZSJAACLB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73347;MM73347;C=C(OCC=NO)C(C)O;JBNKJGJTTYNJPV-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73348;MM73348;C=CC=CC(O)C(C)N;ZDFYNMPVXROZIS-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73349;MM73349;C=NNCC(C)(O)C#N;OACIDDJTKIMGBW-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73350;MM73350;CC(C)=CC(O)C(C)N;SNVAZAURUNJWLQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73351;MM73351;C#CC=C(CN)C(C)NC;JSFPGORVQUXLMF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73352;MM73352;C#CCC=CC(O)C(C)N;YAUWCYNPOBOSSD-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73353;MM73353;C#CCC(=NC)NNC=N;SSVAJWLVSRWMRS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73354;MM73354;C#CC(C=CCN)NCC;QGCPOHFBIOFQQI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73355;MM73355;CC=CC(O)C(C)N;KCZROOPJVLKKLW-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73356;MM73356;CN(O)C(=O)COC=NN;FSSHTJAGYSKVPZ-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73357;MM73357;C#CC=C(CN)CNCC;UPXXSCXNTYXEMB-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73358;MM73358;C=CC(C=CCN)N(C)C;CQGKSKBQDYQZHH-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73359;MM73359;CC=NN(C)C(=O)NNC;LEAYOTUCHWFIHL-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73360;MM73360;CNC=NCC#CCNC;FNRXWQGYHTUIMH-UHFFFAOYSA-N;139.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73361;MM73361;CC=CCNC(=O)N(C)O;OSXIMSFBKCQCGS-UHFFFAOYSA-N;144.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73362;MM73362;C=NNC=C(C=O)NC=O;YPOONECXLNCIGD-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73363;MM73363;C=NOC(=O)NCC=NN;QAAWGUFCMWFOJR-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73364;MM73364;C#CC(C)(O)CC=NOC;FNOWLECQGAVBKR-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73365;MM73365;C=CC(O)C(C)N;STWCGNZQQRMKAU-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73366;MM73366;CNCC=CC=CNC=O;UNXGRWYKNSOHHY-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73367;MM73367;CN(O)C(=O)NN=CNN;CYJVRUXFGMWVPM-UHFFFAOYSA-N;147.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73368;MM73368;CN(O)C(=O)NOC=NN;VZJNJBOWSKKKGY-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73369;MM73369;CN=CN(C)N;AWMWOVMYBLSVJQ-UHFFFAOYSA-N;87.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73370;MM73370;CC(N)CN(C)C;RRQHLOZQFPWDCA-UHFFFAOYSA-N;102.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73371;MM73371;C#CC(F)(CO)CNN=C;IOUMKPXIBDNOMC-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73372;MM73372;C=NOCC=NOC(N)=O;SVDATXHLTDFCET-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73373;MM73373;C#CC(C)(CO)C(C)N;FUHOQAPCPQKOQS-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73374;MM73374;CCCCN=C(NN)NO;UADDENSWNDRJGS-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73375;MM73375;NN=CN(O)C=NN;KGUOROVXBJTLJB-UHFFFAOYSA-N;117.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73376;MM73376;C=C(CNN=CC)C(=O)O;YJEROPPINRUABY-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73377;MM73377;CNN=C(C=COC)CO;BVSALXOZWFYCMY-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73378;MM73378;CC(N)C=C(F)F;ACQVTTJYTNXWHO-UHFFFAOYSA-N;107.1;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73379;MM73379;N=CNCC(F)(F)F;XBDKXFCTDXXWRM-UHFFFAOYSA-N;126.08;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73380;MM73380;CNC(C)COCC(C)O;ZLVZDKPPGQCKAB-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73381;MM73381;CC(C)C1(N)CC1N;KWOWMGVWMIYMJS-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73382;MM73382;CN=CNC(=CCF)CO;NXXVQCABYZNJOQ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73383;MM73383;CC(=O)C(=O)NCC=CF;HMHIVFZPNWAOAJ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73384;MM73384;CC(=O)C(=N)NCC=NO;RPQDLCYHEGTYDL-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73385;MM73385;C#CC(C)C(NC)C(C)O;YEZSALICTZVRTB-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73386;MM73386;C#CC(C(C)O)C(N)CC;FNYQUIQXLDZZFE-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73387;MM73387;NC(=O)C(=O)NN=CNO;FFWPHQYWKPLPHB-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73388;MM73388;NC(=O)C(=O)ON=CNO;SRYKVDYCAMKCLO-UHFFFAOYSA-N;147.09;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73389;MM73389;CC(N)C(C)(C)C(C)O;SADOYNDWWQFBDT-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73390;MM73390;C=C(F)C(O)CCC#CC;GUPTUWRSNDLBDI-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73391;MM73391;C#CC(=C)C(=N)NN;GWNKZTFJMOQBNT-UHFFFAOYSA-N;109.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73392;MM73392;CC#CCCN(O)C(N)=O;VDXSGZRREYAYRD-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73393;MM73393;C=C(CO)C(F)=CC(C)N;VADZDBDZZHGGLU-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73394;MM73394;C#CC(C)(C)C(CO)NC;LOYZBSYKNVAFHJ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73395;MM73395;C=CC(CN)NCC;JJEYDLQLSPCFPI-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73396;MM73396;CC#CCNC(=O)N(C)C;GTWCCJNKLMNRKC-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73397;MM73397;C=C(OCCO)N(C)C=N;UAVADQFURYDFQB-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73398;MM73398;CC#CCNC(=O)N(C)O;APJRMEHWCUNXKC-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73399;MM73399;CC=C(CN)CNC;HQPYUHDTAPWSQJ-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73400;MM73400;CN=C(C)N=C(NO)OC;UIYXXGUKNKWQQF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73401;MM73401;CC(F)=C(C)CC(N)CO;RVNYAOBNDLUIMY-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73402;MM73402;CC#CCNC(=O)C(N)=O;JAMDHXPSGCGKKC-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73403;MM73403;CCC(=NC)NC=N;UVPXKJUITZVIGE-UHFFFAOYSA-N;113.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73404;MM73404;CCC(=CF)CC(N)CO;ALSIAUKVGIHZTP-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73405;MM73405;C=CCC(N)CN(C)C;VIOVKLPCKXGYJX-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73406;MM73406;COC(C)(CF)C(C)N;KBKWISJHAKJMMP-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73407;MM73407;COC=CCC(O)C(C)O;VENQELUTTVOZRI-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73408;MM73408;C#CC(C)(OC)C(=N)N;QBJSICLCNIWHLR-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73409;MM73409;CNC(C)CC#CC=O;VVECBYYMZDDYLA-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73410;MM73410;CCOCC(CN)C(C)O;JLRCXCWKKHLAST-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73411;MM73411;C=C(COC)C(C)NC;QLWMSVXNTRNSRT-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73412;MM73412;CC(O)C(C)OC=CCO;SWGLESMVNDYOLS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73413;MM73413;CCC=C(CN)CNC;ZZPDWHFMGNCNLX-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73414;MM73414;C=C(F)C(=O)C(C#N)NC;WRUGOAYRSOUWNA-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73415;MM73415;C#CCC(OC)C(C)N;MKRYEVAOFIHKAV-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73416;MM73416;CC(O)CN(C)C(C)C;MAUZILVBJWIFMT-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73417;MM73417;CC(O)C(O)CC=CC=O;VCWMXSAFTKKQLD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73418;MM73418;CON=CC(CO)C(C)O;ZYJYCQLUUKMCTJ-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73419;MM73419;C=NN=CCC(O)C(C)O;BQDCRNCCJQUXIO-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73420;MM73420;CC=COCC(CN)CO;ACIOQUQFIQJBHV-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73421;MM73421;C=CC(NC)C(C)CF;ZRXHSUXLURNJNU-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73422;MM73422;C#CCON=CN(C)O;YFRLJSKCABAHBC-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73423;MM73423;CC(O)C(C)NN=CC#N;YHBBQFCQXNARFP-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73424;MM73424;CC(O)C(C)OC=CC#N;UGGMBQUJPQGACR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73425;MM73425;CC(C)N(C)N=CNC=O;XASCDDARLXGOEN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73426;MM73426;C#CC(=N)N(CC)CCO;YTKVQXAVTQVMOA-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73427;MM73427;C#CCNC(CCO)=NC;WFOWEHXERUPGJA-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73428;MM73428;CC(CC=CCO)C(N)=O;FWUQQUSFJBDPTG-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73429;MM73429;C#CC(=N)N(C=C)C=C;RSCFXNDBCHCMAR-UHFFFAOYSA-N;120.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73430;MM73430;C=NNC(C)=NN=CNO;FSHLHYNLWYYACJ-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73431;MM73431;CC#CC(C)C(N)CCO;DIXIWCYDGGCVAG-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73432;MM73432;CNN=CC(CO)CC#N;LRTFXFFRIVQRMV-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73433;MM73433;CC=CCNNC=NC;WKUBHDQMTCJCHP-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73434;MM73434;CNCC=CC=CCO;HIUZORHRTOGKBR-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73435;MM73435;CNC(=N)NN=C(C)NN;ULIJEWTYFOKTRJ-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73436;MM73436;CCNCCC#CC=O;RAMDQEAUMYUGMO-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73437;MM73437;CC(C)(CCF)C(N)CN;IUCBWGBQPXZWIO-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73438;MM73438;CCC=NNC(C)C(=O)O;JMFCYSPFVQBTQC-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73439;MM73439;CNCC(C)C(=O)NC;CCQIEJCCHLDGMW-UHFFFAOYSA-N;130.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73440;MM73440;C=CNC(=N)NN=CCF;HKDBFAQVKVFMTK-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73441;MM73441;CC(C)=CC(C)NCCN;RNXVTXVNANVCIV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73442;MM73442;C#CCNCC(C)(C)CN;GDEKDCPQGYXVCQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73443;MM73443;C=C(C)C(N)(CN)CCC;YRMLIPDQDZKOAP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73444;MM73444;C=C(C=CCNC)CO;ATWUXPWUQVYFSA-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73445;MM73445;CCC(F)=CC(N)C(C)N;DYCZOGRZYJSDCC-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73446;MM73446;CCC(N)CNCC(C)F;MSHMRBBJUFHFGN-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73447;MM73447;CNCC(=CC(C)C)CN;LMBPTPSLHDTMHY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73448;MM73448;CCC(NC=O)C(C)CN;UGOMRYDULFZDRR-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73449;MM73449;C=NNC=C(C=O)C(N)=O;XCZJAGCMPZCDMX-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73450;MM73450;CCCC(CN)CNC=O;LHCZLXDQAIOGLJ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73451;MM73451;CNCC(=CC(C)F)CN;GCNSMFGVXZIMEK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73452;MM73452;CN=CNNCC=C(C)C;MQUCCXTUOGMTKX-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73453;MM73453;C=CC=CCC(O)C(C)=O;GGYVEINZXVYZAZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73454;MM73454;C=CC=CCC(O)C(N)=O;PDPRJBSCPVWXTN-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73455;MM73455;CC(=O)C(C)NC=CC=O;LJFNSJBMWDSBPD-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73456;MM73456;C#CC(C=CCO)=NN;NIFNVIWLSOWSSQ-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73457;MM73457;CC(NN=CC#N)C(N)=O;JBDLGNIDEBTNOM-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16197;MM16197;CC(NN=CC#N)C(=O)O;WUZGLWZLUSNZMK-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73458;MM73458;C=CCC(C)NNC=NC;PUWMHQJNXODPKE-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73459;MM73459;C=NN=COC(C)C(N)=O;HKWBTMNPUXBGFW-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15937;MM15937;CC(=O)C(C)ON=CC#N;HIIVDRFHJMVPMI-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73460;MM73460;CNCC=CC=CC(N)=O;RSCXQIQDWTXUFX-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73461;MM73461;CC(ON=CC#N)C(N)=O;RSTBWCVWPZPOHZ-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16165;MM16165;CC(ON=CC#N)C(=O)O;NDVYCYPHFZZDPA-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73462;MM73462;C#CCN(C)C(=N)COC;RXVNQMIIEHCIPR-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73463;MM73463;CN(CC=CC#N)C(N)=O;LWZQQKHBHHNEKU-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73464;MM73464;C=CCC(N)C(N)C=CF;IUZGWENBNJQETH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73465;MM73465;CC(=O)N(O)CC=CC#N;SOQXZJITWHCVDU-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73466;MM73466;C=NN=CCN(C)C(N)=O;QRFZVNXWIZOEHE-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73467;MM73467;C#CC(C#C)C(=N)N(C)C;YLVKAPWSHFCAKY-UHFFFAOYSA-N;134.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73468;MM73468;C#CCNN(CC)C(N)=O;XSJMCAJNRILOAY-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73469;MM73469;CON=C(C)CCO;RYPSQPGXYROHIO-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16426;MM16426;C#CC=CCC(O)C(=O)O;QRWHIQMPKFOHSF-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73470;MM73470;C=C(C)C(C)NCCNC;RYRYNJKDKFLSIH-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73471;MM73471;C=NNC(C=O)CF;QZVHDCDECBOTIB-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73472;MM73472;C#CC=NNC(C)C(=O)O;IAEWOHCLNWKIBJ-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73473;MM73473;CCOC=CC(N)C(C)N;XERXGBUQRFMOAO-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73474;MM73474;CNCC(CC#N)CCF;NVKSEMXWXACKDQ-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73475;MM73475;C#CC=CCN(C)C(N)=O;GEUFHHJYGADWAU-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73476;MM73476;CCOC(=CCN)C(C)N;CSSFEWHWTZEBHN-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73477;MM73477;C=C(C=CCNC)CCO;WTYQLGOHQCQJCC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73478;MM73478;COCC=NNC(=N)N;GLLQSARQHXZYAO-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73479;MM73479;C#CC=CCN(O)C(N)=O;JDDMGGLORZDTQW-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73480;MM73480;C=C(CC)C(N)(CC)CN;HAFGNHYYMRLREG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73481;MM73481;CC(O)C(=O)CC=CCO;VWGCIVIZYCMTEH-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73482;MM73482;NN(C=O)CC#CCCO;RHHIYJRZGLSXBG-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73483;MM73483;CC(CCF)=NNCC=O;MBAYZNYQKKAPRB-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73484;MM73484;C=NN=CN(C)C(=N)NN;MWBKFXGFQRAABG-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73485;MM73485;CC=CNC(=NN)NC=N;IBXCPWZDMZIJHC-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73486;MM73486;C#CC(=O)CC(C)(C)NC;CAFSEPHUZFPWRX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73487;MM73487;NN=CC#CCCCO;UJNCRUHOAJIDEO-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73488;MM73488;C=CC(C#N)ONC(C)=N;DOMZSUPQVBSRQY-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73489;MM73489;CNN=CNC(=O)C(C)O;URIJZPJIWZLTPM-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73490;MM73490;N=CNN=CC#CCCN;BGDDNJOCWCNMNL-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73491;MM73491;CC=C(C)C(N)(CC)CN;FCAJTIKMYNGFHY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73492;MM73492;CCC(N)CC=NNC=N;FCNOFQTVHQABHU-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73493;MM73493;CC=C(N=CNN)NC=N;LGSBGFZNIFRJMU-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73494;MM73494;C=NNC=NOC=NNC;XCZWQIZQXOIUGT-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73495;MM73495;C#CC(=CCN)OC=NO;VWVQDYNBZRXCPP-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73496;MM73496;CC(C)C(=O)NN=CCO;KAQAPUWTBCBPRA-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73497;MM73497;N=C(N)C#CC=CC=NO;LKYFQACDWSEVPS-UHFFFAOYSA-N;137.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73498;MM73498;C=NNC(=N)C(C#N)NC;MXTWARPDMCDFFU-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73499;MM73499;CC(O)C(=O)NN=CCO;HTYFUNNBAIHZIO-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73500;MM73500;CC(N)C(C)C#CC=NO;ACYXAKVKGBLZSS-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73501;MM73501;C#CC(C)NC(C#C)C#N;KGEDLTCRFNPEGL-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73502;MM73502;COC=NNC(=O)C(C)C;SYPZQKHTKPCTOD-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73503;MM73503;N#CC(=O)C(=N)N;VXOMWBVKXLWJAF-UHFFFAOYSA-N;97.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73504;MM73504;C=C(OC=CCO)C(C)O;PRCCOVRHYWTANH-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73505;MM73505;CCN(C)CCC(N)CF;UHQUXOQOYQRVIX-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73506;MM73506;CNCC(C)=C(C)C=NO;KVTJYXOMIRLFSX-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73507;MM73507;N=C(N)C#CC(=CF)CF;VFCCDJBPICUTFT-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73508;MM73508;CC(CC#N)=NNC(=N)N;MLXYMGGEFZNWPJ-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73509;MM73509;C#CCOC(=C)N(C)C=N;NCZLTSQUQBVUMD-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73510;MM73510;CN(O)C(=O)CC=CCO;XFFNFUYDKDGSMH-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73511;MM73511;C=CC=CC(=N)N(C)C=N;AHKFSWOGRSXLIM-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73512;MM73512;CCOCCNC(C)CN;AQZXTMVGKNVYEK-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73513;MM73513;N=C(N)NC(=NO)NO;SPLQCTMHRZANOL-UHFFFAOYSA-N;133.11;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73514;MM73514;CC(N)C=CC=NO;QVHWBFOSIMJVBK-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73515;MM73515;CC=CC(CCNC)=NO;GSWOXVZOBRWJOT-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73516;MM73516;C#CCC(=NOC)NN=C;RRHZAQZEQFGCLJ-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73517;MM73517;CNN=CCC(=O)N(C)O;FJAZXYCLPCFBHZ-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73518;MM73518;C=CC(CCNC)=NO;CKXRGIKLZYGSGR-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73519;MM73519;C#CC(C)NCC=CCN;GWESMYDAGKVLOS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73520;MM73520;C#CC(O)(CCN)C(C)C;FENRASMDUXDYOH-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73521;MM73521;CN(C)C(=O)NC=CCO;GKZXYCPBFIAIFF-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73522;MM73522;CCC=CNC(=O)N(C)O;DXDYJJPYANJQMU-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73523;MM73523;C=COC(CC)C(=N)NN;OBSLFPJFWPTOCB-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73524;MM73524;CCN=CNC(=O)N(C)O;GOIPQBRBWLLQJJ-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73525;MM73525;CNCCC(=O)C(F)F;OSNJOJNWIFEFSK-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73526;MM73526;C#CC(O)(CC=C)CCN;IPSDBJVYQNHUSL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73527;MM73527;CON=CNC(=O)N(C)O;PWLTXAQIRHBTTG-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73528;MM73528;CC#CC(O)(CC)CCN;UNJYKHJODKGEFG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73529;MM73529;C=NOCOC=NN;NLQFUUALUUMEOA-UHFFFAOYSA-N;117.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73530;MM73530;CC=NN(C)C=NC=NN;QWUNJJQMWWHJHW-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73531;MM73531;C#CC#CC(C)(O)CCN;OODZORGZIOZVQQ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73532;MM73532;NN=CC(C=NN)OC=O;IIZIUXJPLNWGBF-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73533;MM73533;C#CCC(CN)C(O)C#C;MIHSERSBPUUMHN-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73534;MM73534;CNC(C)C(C)(O)CF;ZGXPUHJPUQESHN-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73535;MM73535;CCNN=CCF;FZNZUZQODGGDML-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73536;MM73536;CN(C)C(=O)NN=CCO;MCPLFHLMIGSFBL-UHFFFAOYSA-N;145.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73537;MM73537;CN(C)C(=O)NN=CCF;RQDAYEOEVIYSDE-UHFFFAOYSA-N;147.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73538;MM73538;CC(O)(C#CCF)CCN;IXVQXKUQJZABOT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73539;MM73539;C#CC(C=C)NC(=N)C=O;GRUOOEUAKDSOJN-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73540;MM73540;CC(C#CCO)(CN)CF;LHILVUVUAFXVCJ-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73541;MM73541;C#CC#CC(C)NN=C;AFYRLFJCCZHSLH-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73542;MM73542;CON=COC(=O)N(C)O;CSBQIEMTJVCWDK-UHFFFAOYSA-N;148.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73543;MM73543;CCC(C)=C(CN)CNC;SMHNYKFZGOBSBX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73544;MM73544;C=NNCC(N)=C(F)C=O;OTDZTRKIAWNUIB-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73545;MM73545;CC#CC(C)(O)CCN;JRSHTXKYYZNNGW-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73546;MM73546;C#CC(C)(O)CCN;GGJZWDXZMLJSIJ-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73547;MM73547;CCNCC(COC)OC;FJAWQPOKTPZVJE-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73548;MM73548;CCCC=C(CN)CNC;ARNRHOIRXZTJMM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73549;MM73549;C=CCCC(N)C(O)CF;GDZCOHOUBJTFIL-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73550;MM73550;C=COCC(O)C(C)NC;GQBDGWBGSCUSLW-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73551;MM73551;CCOCC(O)C(C)NC;NIIAWZQEKJPBRJ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73552;MM73552;CC(O)C(=O)NC=CC=O;NZZBFOIMVYMUKJ-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73553;MM73553;C#CC(C)(C)C(O)C(C)N;FGVKHNMGBFKFQE-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73554;MM73554;CC(C)C(=N)N=CNC=O;AKXYUIOVUUQDSO-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73555;MM73555;C=NNC(=NO)NN=CC;HICZNAMWZONWTO-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73556;MM73556;CC(O)C(=O)NC=NC=N;QPWICUYTXMXYCI-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73557;MM73557;C=NN=CNC(=O)C(C)O;WBISLWPCMNVJAW-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73558;MM73558;C=NNC(=NO)NOC;ZLGXHJAKSAIXDQ-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73559;MM73559;CC(C)NC(=N)C#CCO;BLHATXOZSIXFRC-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73560;MM73560;C#CC(C)C(O)C(C)N;UVLKWWVHDLLXOZ-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15385;MM15385;N#CC=NNC(=N)C(F)F;HXCYPSZHUOPHKP-UHFFFAOYSA-N;146.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73561;MM73561;C=CC=NNC(=O)C(C)O;BHFMUAMDQHSZKI-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73562;MM73562;CC(O)C(=O)NN=CC=O;HFYRXVIUXVMVLG-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73563;MM73563;CC(O)C(=O)NN=CC#N;JELHLEKVWVQIEF-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73564;MM73564;CC(F)C(=O)NN=CC#N;QTILMPDDLZUCJM-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73565;MM73565;CC(O)C(=O)OC=CC#N;RGGSJXONPKZRQP-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73566;MM73566;CC=CC(CN)C(F)CO;JLYWXKRRNXDPBC-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73567;MM73567;CNCC(=CCCF)CN;RHIJZFGKJSIING-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73568;MM73568;CN(O)C(=O)CC=CC#N;CJVVBSKTWRSHPL-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73569;MM73569;C=NN=CCC(=O)N(C)O;UTDNDIMBGJXTMP-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73570;MM73570;C=CCC=C(CN)CNC;GFLHMIOSBRFGRC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73571;MM73571;C=CC(CC)NCCNC;DAZATYIQNITTIU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73572;MM73572;CNC(C#CCOC)=NO;AWVNCSQKGLPYGI-UHFFFAOYSA-N;142.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73573;MM73573;C#CC(C)(CNC)C(C)O;KDCPQNXYYJRHPM-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73574;MM73574;CC(C)(N)C(C)(N)CO;OGPWCIAGDUXVAN-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73575;MM73575;C=CC=CNC(=O)N(C)C;WDRNYWBVFWBXBR-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73576;MM73576;C=CC=CNC(=O)N(C)O;APINZXPGOMPFPX-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73577;MM73577;CN(O)C(=O)NC=CC#N;IUEUKTXKBRFTLB-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73578;MM73578;C#CC(CC)C(C)(N)CO;GGQWTTZAYFENAF-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73579;MM73579;CC#CC(C)C(C)(N)CO;KYQGCAYJAGVNTI-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73580;MM73580;C=C(C)C=NO;RNQUXGAIVHPEHC-UHFFFAOYSA-N;85.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73581;MM73581;C#CC=C(C)NC(=N)NO;MKBVHZPGGRWMLE-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73582;MM73582;CN(O)C(=O)NC=NC=N;VTYKMTWTUWENDT-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73583;MM73583;C=NNC(=NOC)NO;ZLGXHJAKSAIXDQ-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73584;MM73584;C=NN=CNC(=O)N(C)N;NGDHFZZIMSMPGL-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73585;MM73585;NN=CC=NOC(=O)CO;KNMZDGMPSOTUML-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73586;MM73586;C=C(C#CCO)C=NN;DVMAJQRNPRMIEK-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73587;MM73587;C=C(CC(C)O)C(=N)NO;XIKDREPCUVWFFJ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73588;MM73588;C#CCCC(=N)NO;JBKZUZXISCOJCH-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73589;MM73589;C=CC=NNC(=O)N(C)C;XQSLPEFNURTYCU-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73590;MM73590;CN(C)C(=O)NN=CC=O;ATNYBLNYHPCFDA-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73591;MM73591;C=CC=NNC(=O)N(C)O;HPXKHEUFFXOODV-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73592;MM73592;CN(O)C(=O)NN=CC#N;DCWWMBCXVMUQKN-UHFFFAOYSA-N;142.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73593;MM73593;C#CC(CN)CNCC=C;YBTUYXVJMLATIJ-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73594;MM73594;C=NOC(C)C(O)CC#N;HYXGQLBVJVHFRP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73595;MM73595;CCOC(C)C(CN)NC;QGYDAXIXXXIZBA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73596;MM73596;C=C(C=NN)N(C=N)CC;OLHVVRWFOHPIJQ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73597;MM73597;C=CC=CCNNC=NC;GZJFUGIQDMAXLE-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73598;MM73598;C=CNC(=O)C(=N)NN=C;PSMIBLYOHSHWRZ-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73599;MM73599;C=NOCC(O)C=CF;LJNHAPYCWWXDNY-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73600;MM73600;CN=CNNCC=CC#N;ORODGRHXXWKSQN-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73601;MM73601;C=CNC=NCC=NOC;OMQBVSFZCLRNLV-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73602;MM73602;N#CC#CCCC(=N)NO;YQTAYHNKPOUFOA-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73603;MM73603;CNCCC(F)F;JJCCIEGZFMFFIO-UHFFFAOYSA-N;109.12;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73604;MM73604;C=C(CCOC)C(=N)NO;NDSPKZXKIZGDDA-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73605;MM73605;C#CC=CNC(=O)C(C)O;HYOANWCXNDCHQT-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73606;MM73606;C=CC(C#N)(CO)NN=C;OIFNRALOXVXCQE-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73607;MM73607;CC(C)(O)C(C=CF)CN;ROVXLPLVSSNQPH-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73608;MM73608;C#CC=NNC(=O)C(C)O;DFYBOGHULJOTDL-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73609;MM73609;C#CC=NNC(=O)C(C)F;LPMZDDKRRURWOM-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73610;MM73610;CNCC=C(C)C;ZZPSWDZXWOPXGB-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73611;MM73611;C#CC=COC(=O)C(C)O;JHJVSLACXGXBSX-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73612;MM73612;C=COCCNC;HDEFKPTUGHCBCD-UHFFFAOYSA-N;101.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73613;MM73613;CCNCC(C)(CO)CF;RMAFEJRFQDWOHO-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73614;MM73614;C#CC1C(C)C1N;KEORLPWDCQOAGI-UHFFFAOYSA-N;95.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73615;MM73615;CC(C)(N)COC=O;QJAQNHNNGVNWRD-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73616;MM73616;C#CC=CNC(=O)N(C)C;WTKRPUGSCMWKTE-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73617;MM73617;C=CN(O)C(=NC=N)OC;SZKGKOVQYJPJAR-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73618;MM73618;C#CC=CNC(=O)N(C)O;XTMHQIFCLVUDHO-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73619;MM73619;CC(O)(C=NN)CCF;JEPAIFMELYHUKK-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73620;MM73620;C=CC(C)(CO)C(N)CC;MCHSJOJIRZRPOW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73621;MM73621;C#CC=NNC(=O)N(C)C;TVJGCTFWBAWBAC-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73622;MM73622;C#CC=NNC(=O)N(C)N;HLORNEYFOKWXBZ-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73623;MM73623;C#CC=NNC(=O)N(C)O;ZRJSTPLRTTXKQL-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73624;MM73624;C#CC(C)(N)C(=N)N;IYIZGZOFNDPPTA-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73625;MM73625;C=C(C)OCCNC;XBTWZCBXAWMYRC-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73626;MM73626;C=CC(C=C)C(N)CO;KESXRUHUGXVSAC-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73627;MM73627;CNCC=C(C)CF;ZTPJDTGDNIZVTG-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73628;MM73628;C=NOCC#CCO;NOPFTIJPXMIURJ-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73629;MM73629;CNCCOC=CF;PIXHVZVZLLYXPP-UHFFFAOYSA-N;119.14;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73630;MM73630;CC(=O)OCC(C)(C)N;SFRWMZNGJPNGEZ-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73631;MM73631;C=CC(C=CF)C(N)CO;DAFIJOUUDZHMBU-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73632;MM73632;C=CC(C(=C)C)C(N)CO;QWKLENTUDLVWQA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73633;MM73633;COC=CN=C(N)C(=O)O;GFIQKZDQZHDMPI-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73634;MM73634;C=CCC(N)CO;WCZXECFPTUZDMM-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73635;MM73635;CC=CCC(N)CO;ZEODUDKXIGPAIV-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73636;MM73636;C=NOC(=NC)N(O)CC;MJDPCGFYBPEZDL-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73637;MM73637;CC(C)=CCC(N)CO;KVMBSAVMJGOQKB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73638;MM73638;C=CC(=O)C(C#N)N(C)C;BUFOZLXURSIBFJ-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73639;MM73639;CCC(N)C(C)(N)CF;RJMHTKOEIRCBIE-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73640;MM73640;CC(F)=CCC(N)CO;VKUZNDZASJWWAB-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73641;MM73641;C#CC=CCC(N)CO;AJKHHTBTRAERLK-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73642;MM73642;C#CC(CO)C(N)CC;SWYQKLZJOZRUBA-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73643;MM73643;CC(N)C(C)(C)OCCO;MSEYRDVRTQSDNV-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73644;MM73644;C=NNCC#CC(=O)NC;PEPSUXFCTJXXMM-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73645;MM73645;C=COC(CO)C(C)=NN;YQHUWSYFIPLEOW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73646;MM73646;C=C(C)C(=O)NN=CCO;ASWFGEBTOPIRIH-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73647;MM73647;CCC=NNC(=O)C(N)=O;JKZPPVUPLVVING-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16304;MM16304;CCC=NNC(=O)C(=O)O;UWSAFSIQRSEOTI-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73648;MM73648;CCC(N)C(C)OCCO;KMHVDCDQNXTQJN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73649;MM73649;COC=NNC(=O)C(C)=O;XZQWJZCBSAZRAX-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73650;MM73650;C=C(OC=CCO)C(C)=O;IYIKIKBXMFFBID-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73651;MM73651;CC(=O)C(=O)OC=CCO;MQHFHFLHUXLINI-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73652;MM73652;O=C(O)C(=O)OC=CCO;GYAYPQIONRYFLS-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73653;MM73653;COC=COC(=O)C(C)=O;SWJSKIMHXUBGQC-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16179;MM16179;CON=COC(=O)C(=O)O;KASVTQQAXSDZAF-UHFFFAOYSA-N;147.09;-0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73654;MM73654;C=CC(N)(CN)C(C)C;WTTDNUNZIDBAGH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73655;MM73655;C=COC=CCC(N)CO;OJYNQEBMWJTGTE-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73656;MM73656;C=C(C)C(N)(CC)CN;DHQCRZHBNYNZDV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73657;MM73657;CCC=NOC(=O)C(N)=O;LSZDXVWITPECLS-UHFFFAOYSA-N;144.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73658;MM73658;C=COCCC(CO)NC;WFGRNDVZVPUXBU-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73659;MM73659;C=CC=CCC(=O)C(N)=O;RYDVDJDBPLZNJZ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73660;MM73660;C#CC(C=C)CC(N)CO;XXADFKKETVPKFR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73661;MM73661;C=NN=CCC(=O)C(N)=O;PJPWUIITXIWGCH-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73662;MM73662;C#CC=NNCC(C)O;JBJPGEXPZFZKEU-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73663;MM73663;CC=NNC(C#N)CCO;CTCWXVNVFXRACT-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73664;MM73664;C=CC=CNC(=O)C(C)=O;LWRCPGWHDZBFRF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73665;MM73665;C#CC=NN(C)CCCO;IEVIPBLVIIAXBQ-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73666;MM73666;N#CC=CNC(=O)C(N)=O;WLUKQUMWWAGHSK-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73667;MM73667;CC(N)CO;BKMMTJMQCTUHRP-UHFFFAOYSA-N;75.11;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73668;MM73668;C=CC(=C)C(CN)C(C)O;VLXUHAWGMMLKDR-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73669;MM73669;CC(O)CC#CC=NN;KLAQBRRIWCHTRM-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73670;MM73670;C#CCC(N)C(C)C(C)O;FWLFKLAATLAHAV-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73671;MM73671;C=NNC(=CC#N)N(C)C;XWVXVUCSKFBSFO-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73672;MM73672;C=NOC(C)OCC=O;KOMKETGRNYDWFH-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73673;MM73673;CC(=O)C(=O)N=CNC=O;NYEDOPRUKYVZIA-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73674;MM73674;O=CNC=NC(=O)C(=O)O;SLPIOQUOWCLIKZ-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73675;MM73675;C#CCNC(CF)=NNC;QEDAKDLQZOKSCW-UHFFFAOYSA-N;143.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73676;MM73676;C=NNC=CC(=O)ON=C;LIYYEKJMADAQSF-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73677;MM73677;C=NOC(=NC=NN)NC;NIYBBXWUDMPQAB-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73678;MM73678;C=NN=CNC(=O)C(N)=O;VPYUCDZLRFWMCX-UHFFFAOYSA-N;142.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73679;MM73679;CC(=O)C(=N)NN=CC#N;XEPYXFTUBHSPTF-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73680;MM73680;CCOC(=O)C(=NN)NC;IUJNSZTUBOUDQO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73681;MM73681;C=CC=NOC=NNC;POXWNLRATDAXHA-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73682;MM73682;N#CC=NNC(=N)C(N)=O;WEZGPLZJGCRZSN-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73683;MM73683;C=C(C)C(=O)NN=CC#N;STKFTFCNCBNWBW-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73684;MM73684;CC(=O)C(=O)NN=CC#N;HHMCEMXGOGOBOZ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73685;MM73685;C=CC=NNC(=O)C(N)=O;GJXOZRPFWBSBTB-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16112;MM16112;N#CC=NNC(=O)C(=O)O;VKYLLGFESKMNPD-UHFFFAOYSA-N;141.09;-1.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73686;MM73686;CC(N)CNCC=CF;JQYCKIRDSTZRNI-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73687;MM73687;CNCC=C(C)COC;DJQHAXZASZDLQT-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73688;MM73688;C=C(OC=CC#N)C(N)=O;XRIJNVAZHZUOIW-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73689;MM73689;C=CC(=C)C(N)C(C)N;GCJPOJBMWYAECC-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73690;MM73690;C=CC(=N)NOCCF;YIMAGXQECGMZRU-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73691;MM73691;C#CC(=C)OCCNC;WIKMEAPKTJTBEY-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73692;MM73692;N#CC=COC(=O)C(N)=O;JTBJWZQVTSVGSZ-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73693;MM73693;CNC(=N)N(C)CC#N;AYGXBEYQWIOVIP-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73694;MM73694;C=C(C)C(CNC)NC;XDEVQLXTSXEFFD-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02724;MM02724;CC(=O)C(=O)ON=CC#N;SMUWNYLJVJLQAI-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73695;MM73695;C=CC(CN)(CF)CF;ZPYWBFCQHLQORY-UHFFFAOYSA-N;135.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73696;MM73696;N#CC=NOC(=O)C(=N)N;RHACQLLMPRKNGA-UHFFFAOYSA-N;140.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73697;MM73697;C=CC=NOC(=O)C(N)=O;DTAWOKCBSSYXLL-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73698;MM73698;N#CC=NOC(=O)C(N)=O;RHXLRYKVBSKPKQ-UHFFFAOYSA-N;141.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73699;MM73699;CC(O)CNCCCF;UGVVOOZDHRIALS-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73700;MM73700;C#CC=CCC(=O)C(N)=O;CGALXIDWBRVUQB-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16401;MM16401;C#CC=CN=C(N)C(=O)O;IZWYQSZTEQWHQL-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73701;MM73701;C#CC=CNC(=O)C(C)=O;IHCGEVRCXONVCN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73702;MM73702;C#CC=CNC(=O)C(=O)O;KLGVNDZTLQIERH-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73703;MM73703;CNC(=N)C#CC(F)F;SJUPAAPHMWECIH-UHFFFAOYSA-N;132.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73704;MM73704;CCNCCOC=CCO;OPHBAPJPLDMRJY-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73705;MM73705;CC(CF)CNCCO;GFXIAQLVTPWYEP-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73706;MM73706;CCOCCCNCCO;WMTQTMOUNYSPCJ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73707;MM73707;C#CC=NNC(=O)C(N)=O;IRTNMLCAHFPPHP-UHFFFAOYSA-N;139.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73708;MM73708;C=CC(CCOC)NC;OOECSNMKABNFOV-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73709;MM73709;C#CC=COC(=O)C(N)=O;IMBQQPSTHORISD-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73710;MM73710;C=CCNCCNCC;IZKXXNZRDBAQAS-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73711;MM73711;C#CC=NOC(=O)C(N)=O;UHHJLGGRMPTERK-UHFFFAOYSA-N;140.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73712;MM73712;CCNC=CC(=NN)OC;GCAAOZGTOOWTBB-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73713;MM73713;CC(N)C=C(F)CCO;IXSSVZJKEDMVCI-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73714;MM73714;CNCCOC=COC;OECORRSZQCUMKB-UHFFFAOYSA-N;131.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73715;MM73715;C=C(F)C(CN)CCO;ISSHJXTUSIBARO-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73716;MM73716;CC(C)C(O)CC#CCO;QHQWCYPJGBIVIB-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73717;MM73717;NCC(CCO)C(F)=CF;QOTGUBDLTHNICS-UHFFFAOYSA-N;151.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73718;MM73718;CC(O)C(O)CC#CCF;XPXYTXJVEUUNHX-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73719;MM73719;CC(F)C(O)CC#CCO;BVNFYRKWQAUQEE-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73720;MM73720;CC(C=CCO)(CN)CF;XZGIMQPWJHKZBA-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73721;MM73721;C=CC#CCC(O)C(C)O;YBRYHYKVVUNPNJ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73722;MM73722;CC(O)C(O)CC#CC#N;NPAPVWBHLKYHAK-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73723;MM73723;CNC(C)C(C)NC(C)=O;DAAVQBBQESUANB-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73724;MM73724;C=NNC=NN(C)CC#N;PZLAWSJFFYNTOE-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73725;MM73725;C=CC(=O)OCC(C)(C)N;XUZSRCFYWXXWOQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73726;MM73726;C#CC(=O)OCC(C)(C)N;JFXHMWSGMHMMFJ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73727;MM73727;CC(=O)NCC(C)CN;KPYAYJPVNXTYPE-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73728;MM73728;C#CCC(C)(N)C(=C)CN;WGDGLFBOJKDCRE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73729;MM73729;CCC(NC=O)C(C)NC;VJXJLUDUGHPMTC-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73730;MM73730;C=C(C)C(O)CC#CCO;WOBFERPRWZRCBQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73731;MM73731;C=C(C)CNCCCC=O;LCJWSRNZXRBGSE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73732;MM73732;CC(=O)C=C(F)CN=CN;BNBSLTOFEDNRSO-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73733;MM73733;CC(F)=CCNCC(C)N;XTHLGFKTZNPQMD-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73734;MM73734;CC(CC(F)F)NCCN;IYMUZMHVBDZXNU-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73735;MM73735;CN(C)CC(N)CCCF;NNNRTZBTGJMDAI-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73736;MM73736;CN(C)CC=NNC(=N)N;VWCCDPCSIBJBPJ-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73737;MM73737;C#CC(CN)C(F)CF;OPVCBGWKGRYETQ-UHFFFAOYSA-N;133.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73738;MM73738;NC(=O)N(O)CC#CCF;IUSVTWZUSHEHMH-UHFFFAOYSA-N;146.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73739;MM73739;CC(=O)C(O)CC#CC=O;DQAMPKOSISESIO-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16419;MM16419;C=CC#CCC(O)C(=O)O;ZEBLOZDHNIGIBD-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73740;MM73740;N#CC#CCC(F)C(N)=O;PRWXIMGLWHUSML-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73741;MM73741;C=CCCC(N)CN(C)C;UZEJPMZKQIUDKQ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73742;MM73742;CC(=O)N(C)CC#CC=O;CJPKKYFZVBLSKS-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73743;MM73743;CC(C)(CN)CONC=N;ROBHGBKDYFBJQN-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73744;MM73744;C=CC#CCN(C)C(N)=O;PYHKGDTUMXMNGP-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73745;MM73745;CN(CC#CC#N)C(N)=O;MBPXJKYELZTXAQ-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73746;MM73746;CNN=C(NC=N)C(=N)N;UNQQCSRPKVCIEF-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73747;MM73747;C=CCN(N=CC)C(=N)N;RXHWKRRHJLHZBO-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73748;MM73748;C#CC(CN)C(F)CCF;HEVDKBHUFQRZGS-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73749;MM73749;C#CC(CN)C(C)F;OWOSVPLWOIAPHT-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73750;MM73750;C#CC#CCC(O)C(C)=O;RYIXERHYUTUZOD-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16324;MM16324;C#CC#CCC(O)C(=O)O;IWSUGFDABLXLHW-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73751;MM73751;C=CC(C)(N)C(=C)CNC;DBQXKKVLJZBHCU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73752;MM73752;C#CC(N)(CNC)C(C)C;LNWCWDWKXGHIBM-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73753;MM73753;C=NNCC(=O)OCCF;YPFSBEJCWOYQJP-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73754;MM73754;C#CC(CN)C(CC)=NO;QBORVIULLIZCHH-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73755;MM73755;C#CC(O)C#CCCN;WRPBQBCSURHYFW-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73756;MM73756;C#CC#CCN(O)C(N)=O;QOHWCFSXBSISTM-UHFFFAOYSA-N;138.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73757;MM73757;CC(C#CC(C)N)=CCN;NSSGUYPOZLUGMG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73758;MM73758;C=C(CC#CCO)C(C)O;IZJUEANZQICWMS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73759;MM73759;CC(O)C(=O)CC#CCF;MFIUMUDTTWORDW-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73760;MM73760;CC(F)C(=O)CC#CCO;BVQLZRJSFZZYHR-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73761;MM73761;C=C(C(=N)N)C(=O)NC=N;JGMCPMXGLKXHKW-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73762;MM73762;CNC(C)C=CC=NO;ODIPPBAXMXCLEU-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73763;MM73763;CC(F)=C(C)C(N)C(C)N;PZZSDMRWKBLLQP-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73764;MM73764;CC(=N)NC(C)=NCC#N;KWVPCDNLQLNTDV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73765;MM73765;CC(O)C(=O)CC#CC#N;JTMGGYNMKIDBSY-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73766;MM73766;C#CC(C)(O)C#CCCN;VOVRJHYQJYAGDG-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73767;MM73767;CC(F)CNC(C)C(C)N;MQZMJIAEKGTMGX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73768;MM73768;CC(C)(N=CN)C(O)C=O;ICNUDIHMRWGOPT-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73769;MM73769;C=CC(C)CN(C)CCN;GIOCWJGJYMUCOD-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73770;MM73770;C=CC#CCC(=O)N(C)O;QPBVZLFZAZXLJZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73771;MM73771;CN(O)C(=O)CC#CC#N;UAZYRMQUEYKJDL-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73772;MM73772;C#CC#CCC(=O)C(C)O;FLKGECMOKYGTQW-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73773;MM73773;C#CC(O)C(C)(N)C(C)C;WORBVRFSRDHRMW-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73774;MM73774;C=C(CC#CCO)C(C)=O;WXSYMNLEDLMVLE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16492;MM16492;C=C(CC#CCO)C(=O)O;ZJPMLZSLZYLLDO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73775;MM73775;C=C(C)C(=O)CC#CCO;YLRCOODLTFXKTJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73776;MM73776;CCC(O)(CF)C(C)N;LBOLRIHQUQEIPT-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73777;MM73777;CC=NNC(=O)NNC;FVYOXQSEUMDOJY-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73778;MM73778;C=C(F)C#CC(O)CCN;FTMHOBDLCPGONZ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73779;MM73779;NC(=O)C(=O)CC#CC=O;AFZMTSCHOJIMAA-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73780;MM73780;N#CC#CCC(=O)C(N)=O;HPABTSXQHWBHSN-UHFFFAOYSA-N;136.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73781;MM73781;C#CC(O)C(CN)CC=C;LRABLYOZLRSCKR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73782;MM73782;C#CC#CCC(=O)C(N)=O;CVEJPOMDORCFLC-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73783;MM73783;C#CC#CC(O)CCN;FACHRQPPALSNDI-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73784;MM73784;CCC=NNC(=O)NNC;CWQBDRJESPAYAA-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73785;MM73785;C#CC(C)NC(C)CNC;ABZCYKCZJBFZDU-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73786;MM73786;CC(C)(C=O)C(=N)NC=O;BSWQGQUZIGGRJA-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73787;MM73787;C=CC(N)C(N)CC(=C)C;TWFPGRJBRYBIBC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73788;MM73788;C=C(C)C=C(CN)CNC;NDDIPRQDAUAOAD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73789;MM73789;C#CC(NC(C)C)C(C)C;OTFQOIZGTMOROV-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73790;MM73790;CNN=CC=CC(O)C#N;VFKHGAQPSZKPLJ-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73791;MM73791;CN=CNCC#CC(C)N;YTLGXAYUYZPNLH-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73792;MM73792;C#CCC(=C)CNCCN;XMJRMCYPFCMUNA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73793;MM73793;C#CCC(O)(C=C)C(C)N;DJACPXZSLMUGHE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73794;MM73794;C#CCC(=C)OCCNC;XWJNNMWWGRFWHK-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73795;MM73795;C=C(C)C#CC(O)CCN;IZINVLFHRJRTBC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73796;MM73796;CON=CC(C)(O)C=NN;FURLTDZOWLVSCG-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73797;MM73797;C=COC=CC(O)C(C)O;WRFZSZNUBUWHPY-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73798;MM73798;C#CC(=C)C(C)(O)C(C)N;RFCSLCSLJDEPAA-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73799;MM73799;CC(C)C(O)C=NNC=O;VUAIYSRLOTYNDO-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73800;MM73800;C#CC(=C)C(O)C=NN;ONJCYFHFBBWNOH-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73801;MM73801;CCC(NC)C(C)(O)CO;QBRWJEPOJMBMNP-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73802;MM73802;CC(O)C(F)C=NNC=O;RDVPMLNQTTXMJQ-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73803;MM73803;CNCCOC(N)=CC#N;WVPODCCCRKMUIV-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73804;MM73804;C#CCC#CC(O)CCN;XCRZYLGAAAPFGH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73805;MM73805;CC(C)C#CC(O)CCN;OIJNLTIQHGCTBR-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73806;MM73806;CC(C)N(C)C=NNC=O;KRNYRVQUWNCQMS-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73807;MM73807;C#CC(F)(CO)C(C)CN;QGYZGTZFTZWCTC-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73808;MM73808;C#CC(=N)N(O)C(=N)C=O;UOLDGFKQJJLPMC-UHFFFAOYSA-N;139.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73809;MM73809;CCNCCC(=O)N(C)C;NEGDLSFFPNQBPZ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73810;MM73810;C=C(C=CC)C(N)C(C)N;NWZDDESMUHQQIT-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73811;MM73811;CC#CC(O)CCN;XNPJWXADQBNUMT-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73812;MM73812;CC(C=CCCO)C(=O)O;FRSSEPHAGUUYAU-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73813;MM73813;C=C(C=CF)C(N)C(C)N;BKVDQNIZCLDWDY-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73814;MM73814;CC=CC(CN)C(O)CF;PRLNOIHLQYXXMS-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73815;MM73815;CCNC(C=CF)C(C)N;YWPKKVDQXFGMIX-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73816;MM73816;CCCC(CN)(CN)CN;UEBFJGNPPCQDSC-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73817;MM73817;C=NNCC(C)=CCNC;MGRXYSWULGUVID-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73818;MM73818;CC(=O)N(C)C=CCCO;GQOHELAZSVKFBC-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73819;MM73819;CNCC=C(C)CC=NN;WFIANEZKGUBYNO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73820;MM73820;CNCC=C(C)C(C)C#N;UPNJLTWOHPAGIQ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73821;MM73821;C=CC(O)(CCN)C(=C)C;GRPQPPVEEAFMPO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73822;MM73822;C=CC(=NNC)C(F)CO;PEFFISXPBGGZRM-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73823;MM73823;CCCC=CN(O)C(N)=O;IZMCGNMMAQLFFN-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73824;MM73824;NC(=O)N(O)C=CCCO;HUAOPHADTVLOPA-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73825;MM73825;C#CCOC=CC(=N)NN;CSRNVHJCGOEMDV-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73826;MM73826;NCC=CC=CC(F)CN;SHUAZJWXJXRXGV-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73827;MM73827;C#CC=C(C)N(O)C(=N)N;LBQSGVSHLVETQC-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73828;MM73828;C=CN(O)C(=NC)NN;XKKUBYJBXZFIIM-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73829;MM73829;COCC=CN(O)C(N)=O;VIDOHBOICNSGLL-UHFFFAOYSA-N;146.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73830;MM73830;CNC(C)C(COC)OC;WRBRAHFVKLCHMY-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73831;MM73831;CCOC=CN(C)C(N)=O;PSPOZHYELJNYIP-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73832;MM73832;C=C(CC)C(CNC)NC;FWHJSQBRLYAPRI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73833;MM73833;CCOC=CN(O)C(C)=O;FJUODLSGXRJSNO-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73834;MM73834;C#CC#CCC(O)C(C)N;OEWTWZODLOYOEZ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73835;MM73835;CCOC=CN(O)C(N)=O;MVJMYYJASOYVCA-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73836;MM73836;C=CC(=C)C(CN)NCC;LCCPHEIABVRLIF-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73837;MM73837;C#CCCC(N)C(O)C=C;GDYLKAIUAFJBEE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73838;MM73838;CNC(C)C(C=CF)NC;JILTYFNHOIEFKQ-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73839;MM73839;CC=C(C)C(CNC)NC;LWRBJZNUXOYCDN-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73840;MM73840;CC(N)C(O)CC#CCF;PINHEVOGXIZJAB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73841;MM73841;C=CC#CCC(O)C(C)N;USOHUOLGGNMZKB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73842;MM73842;CCCN=CN(O)C(N)=O;QGGXTEQVOLQPPJ-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73843;MM73843;CN(N)C(=N)CO;UDXXQCCIAQEWPL-UHFFFAOYSA-N;103.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73844;MM73844;CCC(=CCN)C(F)CN;OMILGGFIRDEAPW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73845;MM73845;CCON=CN(C)C(N)=O;SFHZEYUDDPIFRT-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73846;MM73846;C=NOC(CC#N)C(C)O;OKMOCOAOANRQSI-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73847;MM73847;CCON=CN(O)C(N)=O;YGOWUNNDVQZOFG-UHFFFAOYSA-N;147.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73848;MM73848;CC#CCC(O)C(C)N;IMTIIZDEHYVVEW-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73849;MM73849;CCC(N)C(=CCN)OC;ACKGYTRFVJAUGE-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73850;MM73850;CCC(=CCNC)CC#N;DWKRTSJHFRPTKR-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73851;MM73851;CNCC=C(CF)CC#N;GGBFSSAHSNVROC-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73852;MM73852;C#CCC(O)C(C)N;SOVYEWJPNDKZEF-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73853;MM73853;CC(C)C(O)C(N)CCF;PAGUPWRGELRAPY-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73854;MM73854;C=CCC=CC(O)C(C)=O;NIKGOOLVEFZHFG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73855;MM73855;CC(=O)C(O)C=CCC=O;OGEGGAGGWFVMHM-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73856;MM73856;C=C(CO)OCC(C)NC;QXNYZVPBMMJLDA-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73857;MM73857;C=CC(O)C(C=C)CN;SSIDVXUAAXTXAI-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73858;MM73858;CC(=O)C(C)C=CNC=O;GHZTXAOGZPZIFY-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73859;MM73859;C#CC(=N)N(N)C(N)=O;NJNLBSZEKMIJRN-UHFFFAOYSA-N;126.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73860;MM73860;C#CCC(O)C(C=C)CN;DTORQKGBPIDHQU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73861;MM73861;CC(=O)N(C)C=CCC=O;HEMUGXKZGRZAJQ-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73862;MM73862;CC(=O)N(C)C=CCC#N;ZMINMXIPVYMSKV-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73863;MM73863;CN(C=CCC#N)C(N)=O;KWPAQIVSIZIPIN-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73864;MM73864;C=NNC=NN=CCO;SZGLLDIAUMTHSM-UHFFFAOYSA-N;128.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73865;MM73865;CC(N)C=COC(C)CO;MPXJIAXHWHXCNY-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73866;MM73866;C=CCC=CN(O)C(N)=O;NUGKRGLRYISGJQ-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73867;MM73867;N#CCC=CN(O)C(N)=O;COLMKBWOLAXVSN-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73868;MM73868;CCC(OC)C(CN)NC;UJGIBMDPIHHFPX-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73869;MM73869;C=CC(CCOC=O)NC;USLNAGRKVABNIS-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73870;MM73870;C=CC(CN)C(C)(O)CC;RWDXTMRDPMQDOX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73871;MM73871;C=COC=CN(O)C(C)=O;NHOPZBWVBRDEFP-UHFFFAOYSA-N;143.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73872;MM73872;CC=C(CN)C(N)CCF;KBLZALNAXISETR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73873;MM73873;CCON=CC(CO)CO;BTRVPMOKFQEGMU-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73874;MM73874;C#CC(C)C(C)(N)CO;UNIBWKQKPQVYBI-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73875;MM73875;CN(C=NCC#N)C(N)=O;JJWCYDRVSQMPNJ-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73876;MM73876;CC(N)C=COCC(C)O;NMZJHHSRDNHMNU-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73877;MM73877;CCC(O)C(C=CF)CN;UHDZIGYZISYERN-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73878;MM73878;C=C(C)N(C)C=NNC=O;OUFIKQXZYSGOQJ-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73879;MM73879;CNC(CCF)C(C)O;RQRVANYTJUHNBK-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73880;MM73880;C=CC(CN)C(C)(C)O;HCJMURHXBDPKCT-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73881;MM73881;CNCCOC=CCOC;UACBOICDPGQNBB-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73882;MM73882;CCON=COCCNC;LYAYNOSSTBZLOM-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73883;MM73883;CC(CN)(CN)CN;UGDSCHVVUPHIFM-UHFFFAOYSA-N;117.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73884;MM73884;CC=CC(CN)C(C)(C)O;GNUJHLMPMSAPGY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73885;MM73885;C#CC(CO)C(C)(C)NC;QXNQIJOHRZWFBV-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73886;MM73886;C=C(C)C(CN)NC;HZUXYUXVZOGPPQ-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73887;MM73887;C=COC=NN(C)C(N)=O;GGVITRMUCRSDET-UHFFFAOYSA-N;143.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73888;MM73888;CCC1(CC)CC1N;GTCTYNQHFFXPGX-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5";;;;;;;1.21;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73889;MM73889;C#CCC=CN(C)C(N)=O;JIYLITRRFHZJHQ-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73890;MM73890;C=CC(N)CC(C)(F)F;PYAUXINFLRGUEO-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73891;MM73891;CC(C)=CC(N)C(C)N;SKOYVCRHTNFFBM-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73892;MM73892;C#CC(C)CC(N)CO;HAYDIVGIOAJCBJ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73893;MM73893;C#CC=NNC(C)CO;BJJXCRSUJRTFIH-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73894;MM73894;CC(O)C(=O)C=CCCO;ZGNGKKFLBURWQP-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73895;MM73895;CNNC(=N)CN(C)C;RTLLHDDKAWYYRV-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73896;MM73896;CC#CC(C)CC(N)CO;APQKCCYWSKTASG-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73897;MM73897;C#CC(C)(N)C=CCN;VYBDLPNQMYQAEJ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73898;MM73898;CCON=CC(=O)C(C)O;ZAPVCHWKWKRHCN-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73899;MM73899;CC(=CC(F)CN)CN;IYMCXTNCNYUJTF-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73900;MM73900;C=C(C)C(CN)C(C)O;YBYRLHJTPCHPEQ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73901;MM73901;CC(C)NCCCC#N;GPDPCDJDIZSQPX-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73902;MM73902;CC(N)C#CC=CCN;JHTXOIXDYLMFKA-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73903;MM73903;CC(F)=CC(CN)C(C)O;QEVDRLGTHOKOBH-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73904;MM73904;CN(C)C(=N)NCC#N;LDHLYDLPLASTJR-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73905;MM73905;C=CC=CC(N)C(C)N;KXJNFUBGTNMXAP-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73906;MM73906;CCC(F)C(N)CNC;JYKGHJWTPGPBMO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73907;MM73907;C=CCC(N)C(N)C=C;XTXCOZCMYAVTQR-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73908;MM73908;CCNC=CC(=O)N(C)O;AHPOUOFLRXMWIM-UHFFFAOYSA-N;144.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73909;MM73909;C=C(CC)C(CN)NC;IWTPWVTZPKEIBB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73910;MM73910;CC=C(C)C(CN)NC;GSAARZFBVMRKBP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73911;MM73911;C#CC(=CF)C(=N)NC;ICKNRPSVDAYJQI-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73912;MM73912;CCOC=CC(=O)N(C)O;DJNQHBQAEVSJOG-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73913;MM73913;C=C(CC)C(CN)C(C)O;MAOGYCYBAWOCHX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73914;MM73914;C=NOC(C)(C)OC(N)=O;HZKKZSKERQENBN-UHFFFAOYSA-N;146.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73915;MM73915;CCNN=CC(=O)N(C)O;LRYNXKSGJNTOFC-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73916;MM73916;CN=C(C#CCN)NC;SZYCMXQMWCRRLX-UHFFFAOYSA-N;125.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73917;MM73917;C=CC(N)CC(F)(F)CC;GVEGEVSNILDAGL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73918;MM73918;CC(=CC(C)(N)CF)CN;IPQHSQFXCBZVHC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73919;MM73919;CC(C)C(=O)C=CNC=O;FDSVXPBNKUPNMU-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73920;MM73920;CN(O)C=NOCC#N;WDYAFSWMLYMJAW-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73921;MM73921;CNC(C)(C=C(C)C)CN;QHFQMHRVQACIKO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73922;MM73922;CC#CCN(C=N)C(N)=O;BODMHIGLZKCOQI-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73923;MM73923;CC(F)C(=O)C=NNC=O;LQUZGBSLTHDFAY-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73924;MM73924;CC(O)C(C=CF)CN;OXRFTVRHGSFVIX-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73925;MM73925;C=C(C=CF)C(CN)CO;PLRHHJTXRTXGSE-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73926;MM73926;C#CC(C)C(=O)CCNC;SGRHDQMPKRHWNQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73927;MM73927;C#CCC(N)C(C)CO;YWWCAZXBVHNNAE-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73928;MM73928;CC(F)C(C)(N)C=CCN;NNJHHBLLLSEEER-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73929;MM73929;CN(O)C(=O)C=CCC#N;YRUBVQSVEAIPDN-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73930;MM73930;C#CCC(=O)CCNC;YYTOVBVYCPZEJZ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73931;MM73931;CNC(C)COC=CCO;RWKATSSAQUYFFN-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73932;MM73932;CC#CC(=N)NCCO;MVPIBOAHBTYWSR-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73933;MM73933;CC(C)(N)C=CCO;QHPRLQPXEXYIRD-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73934;MM73934;C=C(C#CCCN)CO;CZQXVHZWVHLCEN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73935;MM73935;C=NOC(CC=O)OC;YBDLOUWTKYORSY-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73936;MM73936;C=NNC=CC(=O)N(C)O;YZIFCUQMHROHEX-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73937;MM73937;CC(C)(CN)C(N)C=CF;SSYBTFQUHJWDET-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73938;MM73938;CC(=CCN)C(C)(F)CN;OEEPNXPCWGJQCH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73939;MM73939;CNC(C)CC(=O)N(C)C;GEQBIWXNNIQQRU-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73940;MM73940;C=COC=CC(=O)N(C)O;QRXXZPAIAIIFCN-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73941;MM73941;C=CCC(=O)CCNC;AWCHFMVGJGDVPY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73942;MM73942;C=CC(C)C(=O)CCNC;QWOOLEPNXQJGDF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73943;MM73943;C#CC(C)C(N)CCO;DWNZKLFUMRJXIX-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73944;MM73944;C#CCC(C)NCCCO;RGCRTVLOPWCRHG-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73945;MM73945;C=C(C)CC(=O)CCNC;OWGPFRYLJDFQID-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73946;MM73946;CN(O)C(=O)C=NN=CN;OXNGNBKQDXXFOR-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73947;MM73947;CN(O)C(=O)C=NNC=O;VTPMNJPRCHZDTI-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73948;MM73948;CCC(CNC)C(=O)NC;PFCLBULKSWNASI-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73949;MM73949;CCC(C)=CC(N)C(C)N;PEFRQDHIBFMTSR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73950;MM73950;C=CC(C)=CC(N)C(C)N;IBFMXTIBIJOHKA-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73951;MM73951;CCCC=CC(=O)C(N)=O;GQIMRNLUECGALP-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73952;MM73952;C=C(C)C=CC(N)C(C)N;XRHLELKKYANVQQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73953;MM73953;CN(C=N)C(C=O)C=CF;CSPUVOQNXXAURQ-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73954;MM73954;CCNC=CC(=O)C(=O)O;ZHHDQWSFBGYNCH-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73955;MM73955;CC(C)=CCNC(C)CN;FINCJCBCGGHVDR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73956;MM73956;CCNN=CC(=O)C(N)=O;PZFHCGIOTRODOD-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73957;MM73957;CC(=CC#CC(C)N)CN;DVYQJDVPFJBIKM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73958;MM73958;CC(C#N)(C=O)NCCO;VRGYZSLATGNTLB-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73959;MM73959;NC(=O)C(=O)C=CCC=O;QXJUZWCXQFWTBA-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73960;MM73960;N#CCC=CC(=O)C(N)=O;VOOMTWFLTCNLLZ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73961;MM73961;C=C(C)C(=O)C=NNC=O;PHBYGKWJCAGBBI-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73962;MM73962;C=NN(CCC=O)C(=N)N;RUBZIAAQNATIPA-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73963;MM73963;C=CN=CN=C(N)C(=O)O;IXDJGCPHHZHABB-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73964;MM73964;CNCC(F)C=C(C)CN;NSIQWEBBSRAYAI-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73965;MM73965;COC(C=NN)=CCCO;XWHQXAQPFFLMQO-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73966;MM73966;C=CC(CCF)NC(C)C;PGSHIXIBSJYHKM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73967;MM73967;CNC(C)C=C(C)CCO;MJFLWUCGSNUMQP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73968;MM73968;C=C(NC=N)OCC=O;WWOJVQHRUYKYNA-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73969;MM73969;CC(C)N(O)C=NC=NO;SPHOKZCDBAPVNR-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73970;MM73970;CC=CC=CC(O)C(N)=O;AHAGRLOQPZJKQG-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16558;MM16558;CC=NN=CC(C)C(=O)O;DKMZKTCMVYBZJQ-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73971;MM73971;CCOC(C)CNCCN;HFPXKFJCPCYKEX-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73972;MM73972;CC=CC=CN(O)C(N)=O;DRVPAHCTRJGEKB-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73973;MM73973;CC(=O)N(C)C=CC=NO;XWJZELHVDOVYHI-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73974;MM73974;CN(C=CC=NO)C(N)=O;WUMXMPBVGZBFLO-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73975;MM73975;CCC(F)C(=O)CCNC;ZQSWFIZTEVTPMP-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73976;MM73976;CN(C=NC=NO)C(=N)N;QOPSYZAVPWFVGW-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73977;MM73977;CN=C(NC)NN=CCF;BKAUNGPVOPWGTG-UHFFFAOYSA-N;146.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73978;MM73978;C=C(C)N(O)C=NC=NO;PGGDVOADTJNEQY-UHFFFAOYSA-N;143.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73979;MM73979;CC(C#CC(F)F)CN;JTKYNBMNVCULQT-UHFFFAOYSA-N;133.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73980;MM73980;C=C(CCF)CNCCN;JESDCGSKZDCIBZ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73981;MM73981;C=C(CC#CC#N)CNC;XATQWIQSJJPTSI-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73982;MM73982;N=CNC(=N)NC=C(F)F;IHVXRDRBSRHBAR-UHFFFAOYSA-N;148.12;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73983;MM73983;CC(O)C(=O)C=CC=NO;GEHPZEUWINAHFO-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73984;MM73984;CNCC#CC(C)=CCN;DEWVRAJMLKCFES-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73985;MM73985;C=CC(C#N)C(=N)NC;WQVVMQOEKKVUDJ-UHFFFAOYSA-N;123.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73986;MM73986;C=CCC(F)C(N)CNC;CTVMQEMDWGMGEB-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73987;MM73987;CN(C)C(=O)C=CC=NO;FLNSEZGGEXWUHY-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73988;MM73988;CN(N)C(=O)C=CC=NO;LPYMTZBQUFQULX-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73989;MM73989;C#CC=CC(C=O)NC=N;AGPQNEVQNVKQHV-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73990;MM73990;C=CCC(N)C(N)C=CC;JRLJSCBTVDSGFF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73991;MM73991;CC=NN=CC(=O)N(C)O;WIGQCFOPXUFLSL-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73992;MM73992;C=CCCC=NNC(=N)N;DRWIHXQVODEORL-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73993;MM73993;C#CC(CN)C(N)C(=C)C;PNFYIODGAALSIC-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73994;MM73994;CC=NN=CC(=O)C(N)=O;QVTURKSTNAPHDL-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73995;MM73995;CNC(CN)C(C)=C(C)C;DNYLQLVGQFRXMP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73996;MM73996;C=NNC(C=O)C(C)C#N;BWXZGHGNHOITOJ-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73997;MM73997;CCCOCC(=N)N(C)N;VRPDTLNYLQMCER-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73998;MM73998;CC(C=O)OC=CN=CN;AAEPXHXRFKLDMA-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM73999;MM73999;COC=COC(C)C(C)N;QWXIISGYKWACTK-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74000;MM74000;CNCC(C)(CF)C(C)=O;GALVJBRUNGDERX-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74001;MM74001;CC(O)C(C)C#CCCO;YQHODESPLRSKNS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74002;MM74002;C=CCC=CC(N)C(C)N;GFRTVXKECCZZII-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74003;MM74003;CN=C(NC=N)NC=NN;NUVGKFGJDCFSCT-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74004;MM74004;CC(C)C(O)C#CCCO;FFDMHZPZXUYCTA-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74005;MM74005;CCNCCC(=NN)NC;PJRHTBVSSMSRSQ-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74006;MM74006;CC(O)C(O)C#CCCF;IOIIRBOPRNJKGG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74007;MM74007;OCCC#CC(O)C(F)F;ROHFMQBKNOGPBS-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74008;MM74008;CNCCC(=O)C(C)OC;ANJHDAKMJJVMKC-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74009;MM74009;CNCCC(=O)CCF;NPFQVKJWODJGRW-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74010;MM74010;CC(O)C(F)C#CCCO;DTESNVMHWKVNMG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74011;MM74011;CC(N)C(N)C=CC=CF;FSGQYDKCTUVSOB-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74012;MM74012;CNCC(N)C(F)C(C)C;DPFSYAANAZDNMB-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74013;MM74013;CNN=COC=CC(C)N;MFPHSEPQSOBCST-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74014;MM74014;CNCCC(=O)CC(C)F;CJYJUOGNSCJTAA-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74015;MM74015;CNCCC(C)=O;MKBRAZBSNHKNFV-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74016;MM74016;C=CCC#CC(O)C(C)O;NASXIAHETIYYDK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74017;MM74017;CC(O)C(O)C#CCC#N;AVWJLVSKNACPAT-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74018;MM74018;C#CCCC(=O)CCNC;ZXXRYRGCZYYZRR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74019;MM74019;C#CCC#CC(O)C(C)O;VWJRIJCEWPRCLB-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16504;MM16504;CC(C#CCCO)C(=O)O;FJKSDUFLTWKSQM-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74020;MM74020;C=CCC(N)C(N)C(=C)C;FMQGSIDAKRVYQV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74021;MM74021;CNCCC(=O)C(C)C;KHHBREZONKWQMA-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74022;MM74022;C#CC=C(C)C(N)C(C)N;DTZAQJCQQWELHI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74023;MM74023;N#CCNC(=N)C=CN;XHPAPEGCJSWDCK-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74024;MM74024;CCC(F)(C=CCN)CN;XSKVNXXEHRJHNU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74025;MM74025;CON=CCC(C)=O;ITHBEMLPVYPGTN-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74026;MM74026;C=C(C)C(O)C#CCCO;GQKOWTSHVSDKSL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74027;MM74027;CN=C(NN)C(C)=C(C)N;FGNMYWQBDORRRE-UHFFFAOYSA-N;142.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15333;MM15333;C=C(F)C(O)C#CCCC;MTGXVNRGEHBNEC-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74028;MM74028;CC(=O)C(F)C#CCCO;IWUBYHNHZMDSHH-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74029;MM74029;C=CC(C)(C#N)C(=N)NC;SDWCPBGWNWYPGL-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74030;MM74030;CNC(C)(C=CCF)CN;CSJWYNGKJNAJNA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74031;MM74031;C#CC(CN)CF;UJMQZBOOWMCJQF-UHFFFAOYSA-N;101.12;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74032;MM74032;COCC#CC(O)C(C)=O;OSNBPIUXAKTCJI-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74033;MM74033;CC(C#CCC=O)C(N)=O;QFEODIHFILLUBZ-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74034;MM74034;CC(C#CCC#N)C(N)=O;FAOKVRQPAAPEFM-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74035;MM74035;N#CCC#CC(O)C(=O)O;HNFBAESOZDIMJV-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74036;MM74036;N#CCC#CC(F)C(N)=O;OHIWITYBUWZPRN-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16338;MM16338;C#CCC#CC(O)C(=O)O;KWOHQMYLFVYOBP-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74037;MM74037;CCNCCOCC=NO;OLJIXHQHLXFQNM-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74038;MM74038;C=C(C#CCCO)C(C)O;CESJXFHNNZNLQD-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74039;MM74039;CNC(=N)NC(=O)NN;VXZYAYFZDHYLMC-UHFFFAOYSA-N;131.14;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74040;MM74040;COCC#CC(=O)C(C)O;JLEVROMLCHQUCG-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74041;MM74041;NCCC=NN=CNC=O;KKFNHKHJVFZLLB-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74042;MM74042;CC(C)=NOCCC=O;BACLZVBKJPPIGZ-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74043;MM74043;CN(O)C(=O)C#CCCF;ZDYLEBLVWNNRKJ-UHFFFAOYSA-N;145.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74044;MM74044;C#CC(C#C)ONC(C)=N;HPLMMYOHEYGTTK-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74045;MM74045;CC=CNC(=N)C#CCN;LWCZKALERYJSOV-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74046;MM74046;C=NNC=NN=COC;ARHDXDAFWAHSJE-UHFFFAOYSA-N;128.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74047;MM74047;C=CC(=C)C(C)NCCN;YJYDLPFNXYTALQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74048;MM74048;C=CC(N)C(N)CC=CC;FPMTTZADJLKVBQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74049;MM74049;CC(O)C(=O)C#CCC=O;KMUBOGQQHZSPIM-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74050;MM74050;CC(O)C(=O)C#CCC#N;WOZCWPJYNWKACG-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74051;MM74051;CC(=CC=NO)C(C)N;XSLLDIKKOWMOMU-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74052;MM74052;CNCC(C)=CC=NO;IMBYSLCPNNLZPV-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74053;MM74053;CC(C=CCN)C(F)CN;NCSKAZQUPOCIKJ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74054;MM74054;CN(O)C(=NO)NC(=N)N;ZNFSHMFSEBPFOK-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74055;MM74055;C=NOC(C=O)C=NOC;SWTKZIQDPFQDTJ-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74056;MM74056;CN(C)C(=O)C#CCC#N;GBFMHXXRUPNJHU-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74057;MM74057;C=CCC#CC(=O)N(C)O;QZBGWUQMLCBSPL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74058;MM74058;CN(O)C(=O)C#CCC#N;PREICLUZOFHYEK-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74059;MM74059;CN=CNNCC(C)C#N;RBHBAKPLNLRWHD-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74060;MM74060;C#CCC#CC(=O)N(C)O;RBVMRXNYNQBJBH-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74061;MM74061;C=C(C#CCCF)C(N)=O;QURHISXWFRFMNQ-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16404;MM16404;C=C(C#CCCO)C(=O)O;ZEGHXRPWHGSKHC-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74062;MM74062;C=NNC(=NNCC)OC;OOIBIBREJSVEEX-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74063;MM74063;C=NNC(=NN)OC(C)C;KSHXKDPQUKFNAD-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74064;MM74064;C=CC(C)=C(CN)CNC;YNJDAVAOPJQWPD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74065;MM74065;C=C(C#CCOC)C(N)=O;HPGSMHORVYVIBC-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74066;MM74066;COCC#CC(=O)C(N)=O;INUIDRBKCAWPHM-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16184;MM16184;COCC#CC(=O)C(=O)O;SWNQQDVRBFYWNU-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74067;MM74067;CC(O)(CCN)C(F)F;DCOVLYPEHDQZMZ-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74068;MM74068;C=C(C#CCC#N)C(N)=O;LOCZMWGAVBHCFA-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74069;MM74069;C=CC(CNC)NCCC;WUUNMXFEXQKPHA-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74070;MM74070;CCC(=N)NC(=NO)NC;FTIUEEZQQQNUHY-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74071;MM74071;C=CCC#CC(=O)C(N)=O;MDLDVPMQPPBQOP-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74072;MM74072;N#CCC#CC(=O)C(N)=O;AKDSSYXFWDAWJV-UHFFFAOYSA-N;136.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16174;MM16174;O=CCC#CC(=O)C(=O)O;NFZMOHVEXRMMIV-UHFFFAOYSA-N;140.09;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16102;MM16102;N#CCC#CC(=O)C(=O)O;PSGFKMUROXUMSO-UHFFFAOYSA-N;137.09;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74073;MM74073;C=NN=C(CCNC)OC;SVGQNTFQDBRSIO-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74074;MM74074;C#CCC#CC(=O)C(N)=O;HIFKXMQFXBAHGR-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74075;MM74075;C=CC(C)C(CN)N(C)C;FNJCVRYUQLWBAM-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74076;MM74076;C=C(C)C(O)(CF)CCN;APHGHLGYNLXHRS-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74077;MM74077;CC(O)C(C)C#CC=NO;UYKVISDELVEIJL-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74078;MM74078;C=NNC(=N)C(=O)N(C)N;HMNPKVGGMSLQSE-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74079;MM74079;C#CC(=NC(C)=O)N(C)C;ICEVGVWHTZYVQY-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74080;MM74080;C#CC(C)(O)C(C)CN;JHUMRNRFLZQBHT-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74081;MM74081;CC=CC(O)(CF)CCN;OOHHACLULLRWJJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74082;MM74082;COCCC(OC)C(C)N;VHQAZMWYJMEBOS-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74083;MM74083;CCNCC(O)(CC)CF;UXBQFOFTNXLHPG-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74084;MM74084;CC(=O)C(C)C#CC=NO;NEYHSWCTSYEPMD-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74085;MM74085;C=C(CCC)C(CN)NC;YKFPVNQGUIJPPE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74086;MM74086;C#CC(O)C(CN)C(C)C;ZPVMPNIQHXZSBO-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74087;MM74087;CC(C#CC=NN)C(=O)O;XXJXZRYOFLYUHN-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74088;MM74088;CC(C#CC=NO)C(=O)O;RGAJMXYPQIELOM-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74089;MM74089;CCNCC(C)(O)C(C)F;HNGZRRFRUXOCHS-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74090;MM74090;COC(C=CN(C)C)=NN;VRMHSVJQKHBYCV-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74091;MM74091;C#CCC(C#CCO)CN;LXJQOIFQULBGSG-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74092;MM74092;CCCC(O)C(=N)NNC;WULSAIVNZGLOFI-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74093;MM74093;CC(O)C(F)C#CCCN;GZECJQODXJPYCB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74094;MM74094;CC(O)C(=O)C#CC=NO;JMDARNQGBYUDNA-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74095;MM74095;C=CCCCNNC=NC;FIHAYURRJDEEBS-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74096;MM74096;CN(O)C(=O)C#CC=CF;JKJYTLQKVPBILX-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74097;MM74097;CN=C(C)NC=N;GGTZFVAIGQEKIK-UHFFFAOYSA-N;99.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74098;MM74098;CC(C)(O)C(C)(F)CCN;PTZMVAZYYFORGU-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74099;MM74099;COC(C)C(C)N;ZAZPNEAXPOUSEQ-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74100;MM74100;CCC1(C)CC1N;QKFNHSOEBYDPGI-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74101;MM74101;C=C(C)CNCCN;DDOHLBXQNUTMBP-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74102;MM74102;CN(C)C(=N)N(O)C=N;CSEHMDIUJDBRPJ-UHFFFAOYSA-N;130.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16368;MM16368;C=C(C#CC=NN)C(=O)O;CWAPCCRTUYVBQG-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16327;MM16327;C=C(C#CC=NO)C(=O)O;MAXMKJFHHZHUDD-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74103;MM74103;N=C(N)C(=O)C#CC=NO;CTWYZSJYGSVBHZ-UHFFFAOYSA-N;139.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74104;MM74104;NC(=O)C(=O)C#CC=NO;SDPOVWVREGNQKB-UHFFFAOYSA-N;140.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74105;MM74105;CC(O)C(C)(F)CCN;ICSWTJIHOOQMFJ-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74106;MM74106;COCONC(C)=N;MKAVIUIKTPQPOO-UHFFFAOYSA-N;118.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74107;MM74107;CC=NNC=NOC;JGNNHDYTAAEMKX-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74108;MM74108;CC(O)C(F)=COCCO;CEPKMGVKWJKWDF-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74109;MM74109;CN(C)CC=CCN;HFDUQFHISFSFBW-UHFFFAOYSA-N;114.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74110;MM74110;NC(C=CF)CCF;SYXRNUFIPATHDE-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74111;MM74111;C=NNC(=NN(C)C)OC;HDSKVTCMPBNSGW-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74112;MM74112;COCC(=N)N(C)N;KAZIWUUADMAMPR-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74113;MM74113;C=C(C)C(N)C(C)N;ZOHMGYSMCCROMR-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74114;MM74114;C=CC(C)(CN)NC;GERNQFSEUFGERE-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74115;MM74115;C=CC(CNC)OC;VWRQUFSSUUYOIO-UHFFFAOYSA-N;115.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74116;MM74116;C#CCC(O)(C=C)CCN;YUUUPZKWKDGMOS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74117;MM74117;C#CC(=C)C(C)(O)CCN;YUXSVDYRDXFTBP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74118;MM74118;CCNN=CCC#N;FNHNBFVDXIWXHU-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74119;MM74119;CC(=CCNC=O)C(C)O;QKAIOJYGUCGYEQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74120;MM74120;CC(N)C(=CF)CF;PWURUWOIMCHERD-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74121;MM74121;C=NOCOC(=O)C=CN;VNLWBDHLDIDKFF-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74122;MM74122;C=CC1(CN)CC1N;SGRDNYDQICTPCE-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74123;MM74123;CC(=COCC=O)C(C)O;DJDGIMRFXYOGAY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74124;MM74124;CC(O)C(F)=COCC#N;WYDOHFAMWXXDTP-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74125;MM74125;C=C(C)OCC(=N)NN;YPZXTAMFFLHOMP-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74126;MM74126;N=C(N)NN=C(CO)CO;FRYKSOZEONGBKW-UHFFFAOYSA-N;146.15;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74127;MM74127;C=C(NC=NC)N(O)C=N;XCQOKGDQICZBSU-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74128;MM74128;CC(=CCN(C)C)CN;ZHNBVSLLKRYBPM-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74129;MM74129;C=CN(O)C(=NCC)NN;VHRXSOVRZSWYPZ-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74130;MM74130;CCC(O)(CC=O)CNC;ZJJJRNQOLYIPIF-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74131;MM74131;C#CCC(O)C(N)CC=C;XBXCOKWZZJQZGB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74132;MM74132;C=CC(C)C(O)C(C)N;CZBYOFRKWNAAEP-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74133;MM74133;C=COCONC(C)=N;CVGXDMSEYWFECD-UHFFFAOYSA-N;130.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74134;MM74134;C=CCC(=N)NC=NC;UJVGORXLRDBLMW-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74135;MM74135;C=CC(O)(CC)CCN;DQNDNVVAZRCVQC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74136;MM74136;CNN=CC(=O)NC=N;HITIGOKREIPDNR-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74137;MM74137;CC=NNC(=O)N(N)C=N;MPPMRKWWDBOWCN-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74138;MM74138;C=CC=NOCC(O)C#N;OOYDAEGYXVTGBR-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74139;MM74139;C=CC(=N)N=CNC=O;MZJQHLHLYSEWSE-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74140;MM74140;CC(CF)C(C)N(C)C;LKNTYHOTWWORGQ-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74141;MM74141;C=C(CC)C(N)C(C)N;PZPHNRKGGAUTIZ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74142;MM74142;C#CCNC=NO;DTUWAJAHKBVJEC-UHFFFAOYSA-N;98.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74143;MM74143;CC=C(C)C(N)C(C)N;LHQCELHOFJUAHT-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74144;MM74144;C#CCOC(C)C(C)N;DIENHIQOYIDACI-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74145;MM74145;CCC(N)COCOC;TZSPLFBCOJWGCW-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74146;MM74146;C=C(CC)CNCCN;XFHZYDLUIUARIY-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74147;MM74147;CC=C(C)CNCCN;FEHBPDFQCUCDON-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74148;MM74148;COCCN=C(C)NN;IFUIQJRYUGNWSX-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74149;MM74149;C=C(C)C(C)(O)CCN;XRAPUHTWDBVIIK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74150;MM74150;CCNCC(O)C=CC=O;URTGVMAGABDDFF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74151;MM74151;C=C(C)C(F)=CCCC=O;SRONGWXQQBNMIK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74152;MM74152;CNCC(C)C(=O)OC;SXSWYMMPWYAQNU-UHFFFAOYSA-N;131.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74153;MM74153;N#CCCC=C(F)C(N)=O;IOSCVXPJBICVFZ-UHFFFAOYSA-N;142.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74154;MM74154;CC(O)(C=CF)CCN;UGOFQVXXARRANT-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74155;MM74155;CNN=CCC(C)(O)C#N;PQWMWYHITFNXPI-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74156;MM74156;CC(=O)C(C)=CNCC=O;DYIZOXULLUWEBM-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74157;MM74157;CC(=O)C(C)=CNCC#N;DFBSGKJMTUWAHE-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74158;MM74158;C#CCC(CN)C(O)C=C;WOTKQFZHHNSDGH-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74159;MM74159;N#CCNC=C(F)C(N)=O;TZSKCDMCDHNHNO-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16145;MM16145;N#CCNC=C(F)C(=O)O;GPCILFGRGBXZPD-UHFFFAOYSA-N;144.11;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74160;MM74160;CC(C)C#CC(O)C=NN;JFFLNTGLOAODPX-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74161;MM74161;COC=C(C)C(=N)NN;JLQCCAXDAHXMMG-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74162;MM74162;CC(C)(F)C(O)C=NN;DKADFLNRQAZGAK-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16470;MM16470;CC(=COCC=O)C(=O)O;IUTCSAASBDWPDN-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74163;MM74163;COC=C(CF)C(C)N;MARMRXGSBFYJEI-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74164;MM74164;C=CC=C(CN)C(C)N;RWPQXWSFBQUMQG-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74165;MM74165;C#CC=CC(C)(O)CCN;QPYPWBHWIVEMNL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74166;MM74166;C#CCC(C)(N)C(C)O;TWXWQYNCIAFSBM-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74167;MM74167;CC(O)(C=CCF)CCN;IXYAPHTZUFKHFO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74168;MM74168;CC(C)=C(CN)C(C)N;JFDJBKFBPMQARL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74169;MM74169;C=CCNN(C)C(=O)NN;IEDKAHRGXDAOOD-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74170;MM74170;CNCC#CC=CCN;WIQAJCPDRPBXMJ-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74171;MM74171;C=CC(=NN)C(O)CF;XXKSRPWFQHOQTQ-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74172;MM74172;C#CC(C)(C)NCC(C)N;TWTRTUBPNLRYJF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74173;MM74173;C#CCOC=C(F)C(N)=O;LWYPCAXCMOYEEX-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74174;MM74174;CNCC=CC(F)(F)CN;UOCDUJNCWHNEOZ-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74175;MM74175;CC(O)C(C)(C)N(C)C;JLBLJBKKSIFSRR-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74176;MM74176;CC=CC(C)(O)CCN;KDJIQWWHKPVLEQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74177;MM74177;C=CC(C)(O)CCN;QCANOJXVBPWCST-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74178;MM74178;CC(=COC=NO)C(C)O;FLXCJFQNWCZQNY-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74179;MM74179;CNC(C)(C=CCN)CO;BZMKTDZCUCRCQY-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74180;MM74180;C#CCC(N)(CC)CO;DYOBNEXSRFIAME-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74181;MM74181;C#CCNC(=N)N(C)O;XLJSDAAQLQOBPP-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74182;MM74182;CC(=NOC=NO)C(C)O;LZKBHNXKWGDAMI-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74183;MM74183;C=NN(C)C(=NOC)NO;HQUYYMUFTBSGDX-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74184;MM74184;C=CC(CN)C(O)CCF;XZVCDTKRPAIVAI-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74185;MM74185;N=C(NN)NC(=NN)NO;CKTZHQLHLYWBJH-UHFFFAOYSA-N;147.14;-2.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74186;MM74186;CN=C(NN)NO;MDLTUWODWJSBRK-UHFFFAOYSA-N;104.11;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74187;MM74187;CCN=C(NN)NO;GVJKLULEAKBQPB-UHFFFAOYSA-N;118.14;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74188;MM74188;CC(=NOC=NO)N(C)O;CGDARICRZCHHHC-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74189;MM74189;C#CC(N)=CC(=N)N(C)N;WSYKIJRZYUEEGS-UHFFFAOYSA-N;138.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74190;MM74190;CC(=O)C(C)=COC=NO;ALTXSSADLBHLFV-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74191;MM74191;CCCN=C(NN)NO;WLQCGVLTLARNJA-UHFFFAOYSA-N;132.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74192;MM74192;C=CCC(O)C(C=C)CN;JHPXFLDIEFSJSC-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74193;MM74193;N#CC=C(CO)NC(=N)N;FDWJAMYYSBCJJO-UHFFFAOYSA-N;140.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74194;MM74194;CN(C=CC=O)C(=N)NO;VYWHRZZFMPQJOU-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74195;MM74195;C=C(C)C=CC(=N)NC=N;LUQJVWAUPBIDPZ-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74196;MM74196;C=C(C(C)C)C(N)C(C)N;DMKRQILNLAPNTH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74197;MM74197;C=C(C=NNC)C(F)C=O;MGKSFMKXKSNTCT-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74198;MM74198;CC(O)C=NNC(C)CF;MUEJIECFZJGIKX-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74199;MM74199;CC(C)=C(C)C(N)C(C)N;JPBXCDIXGUETCM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74200;MM74200;CC(C)NCCN(C)C=O;NPDIGEYXIGTQDP-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74201;MM74201;CC(C)OC=CC(=N)NN;VNZPPAQJFKYWJZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74202;MM74202;C=NNC(=N)C(=O)NC;RHMQNFAWDZNOIO-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74203;MM74203;CCNN(C(N)=O)C(N)=O;OVQURBYJHNKKTR-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74204;MM74204;C=C(NC=N)OC(C)C#N;YHEWPQRFVVETGS-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74205;MM74205;CC#CCNC(=N)NO;HHYUTJZBPKCNLM-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74206;MM74206;C=CC(CN)C(O)CC;WWHFRBLSBBEECS-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74207;MM74207;C=CC#CCNN=CCO;ARSRMSZHALLYJS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74208;MM74208;C#CC(=N)NC(=C)CC#N;YVAWESGFRNUHFO-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74209;MM74209;C=C(F)C=C(CN)C(C)N;CXXLFVMPHDHQKA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74210;MM74210;C#CCNCCNC(C)C;OUUAEMPSPJCJEP-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74211;MM74211;CCNC(C)C(CO)CO;WMZSUTBAHWUIIS-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74212;MM74212;C=CCOCONC(C)=N;PAYMMNSMRHEVAB-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74213;MM74213;CNCC=CC#CC(C)N;MZMZCPDXUXBVHL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74214;MM74214;CC(F)C(C)C(N)CO;OCBJNLDZCMHAJU-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74215;MM74215;CCC(CF)C(N)CO;RTVWDRHXDKYHCL-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74216;MM74216;C#CCC(C=C)C(N)CO;ZWDPZHUBMIKCND-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74217;MM74217;C#CC=NN(C)CC(C)O;SKGATQRTSIYJBF-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74218;MM74218;CC(=NN=CC#N)N(C)O;QRKCRXYZJGHOPH-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74219;MM74219;CN=CN(C)CC#CCN;YNQFHMIJKABMOX-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74220;MM74220;CCOC(=O)C=CN=CN;KXXWTNQYCDEIPB-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74221;MM74221;CC(C)NC(CO)CCF;IFYFSYBGFJDHDF-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74222;MM74222;C=CCC(C)N(C)CCN;LIPLEJHKGWHCKW-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74223;MM74223;C=CC(CN)C(C)O;YFSQCOLXDAPAHQ-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16487;MM16487;CCC=NN=C(C)C(=O)O;VCYOQGGXQXAENQ-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74224;MM74224;COC=NN=C(C)C(=O)O;RBAPCKKMLRCAFE-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74225;MM74225;C=NOC(=O)C(C)CNC;RQBBAKYDVSCHGE-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74226;MM74226;NC(=O)C(F)=CC=CC=O;KVMRKPARXUCGAW-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16538;MM16538;C=NN=CC=C(C)C(=O)O;XKYHCRXGWKGBJO-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74227;MM74227;CCNC(=N)N(C)CC#N;MIMHCLSOWTYDFG-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15382;MM15382;C=NN=CC=C(F)C(N)=O;WZRILTVMOKENLW-UHFFFAOYSA-N;143.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74228;MM74228;CC(=NN=CC=O)C(N)=O;YBLQMYUFKGARRN-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16167;MM16167;CC(=NN=CC#N)C(=O)O;FORDTXOUGGKZCC-UHFFFAOYSA-N;139.11;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74229;MM74229;C#CC=NN=C(C)C(N)=O;NUEORDYLPQKWHP-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74230;MM74230;CC(C)C(N)CNCCF;HVSDEMGDVFHICO-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74231;MM74231;C=CCC=NOCC(N)=O;PJODVQPYXOPMRH-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74232;MM74232;C=NOCOC(C)C(C)N;WVESCYOKBWPMAI-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74233;MM74233;C=C(CNCCN)C(C)C;LHRVENYPUGIXQT-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74234;MM74234;CC(C)=C(C)CNCCN;SXFYEZYRNDZOOX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74235;MM74235;C=C(CCC)C(N)C(C)N;QAFOBIPVXVPUFR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74236;MM74236;CC=CC(CN)C(C)O;BOQYLXJDJVXNFM-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74237;MM74237;C=CCC(=C)C(N)C(C)N;DBLBNNTTWAEWGV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74238;MM74238;CCOC(C)C(=N)N(C)N;YQFLKORMXCNLKU-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74239;MM74239;N#CCNN=CCCCO;GUWRYQASEICDMF-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74240;MM74240;C=CC=C(C)C(N)C(C)N;JCXCBCXTTHDCGU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74241;MM74241;C=C(C)C(CNC)NCC;BXCLHHUMCAHXOA-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74242;MM74242;CC#CC(NC=N)C(C)N;JCBAFYZQWORGCR-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74243;MM74243;C#CC(C)C(CN)C(C)O;LWUATFXVROQZFN-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74244;MM74244;CCON=CC(C)C=O;SBPGMUDMKUBXKE-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74245;MM74245;C#CC(=O)C(C=O)C(=N)N;NQJMMGCPOPRKPQ-UHFFFAOYSA-N;138.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74246;MM74246;CC(C)=C(F)CNNC=O;HXVKCQVSYCPSTM-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74247;MM74247;COCC(=C(C)F)C(C)N;IKQWOIOTBKQKOR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74248;MM74248;C=CC(=C)C(C)(CN)NC;JSQSCVVTNNBPNT-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74249;MM74249;C=C(CN)CCC(F)CN;ZIKNOYXTCYRVCJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74250;MM74250;CN(C)C(=N)NN=CNO;WWYLCADWEYHSNA-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74251;MM74251;CN(C=O)C=CN(N)C=N;ADCRTJCOSZKOSQ-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74252;MM74252;C=CC(C#CC(=N)N)=CF;IYTVUSJTCVYEET-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74253;MM74253;CNC(C)C(F)C=CCN;MLGJTKBLIGSKQC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74254;MM74254;C=COCOCC(N)CC;KQWKIDXQBUVCQO-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74255;MM74255;C=CC(C)NCCNCC;IBQXEBATXOTKNP-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74256;MM74256;C=CC(=N)NOCCC#N;FUMFBAWQCMSXPY-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74257;MM74257;C#CC=C(C)C(CN)CO;WDGHNAAZIQDAPP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74258;MM74258;C=CCOC=CC(=N)NN;UQMUIRCAXKPRNL-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74259;MM74259;CC(=CCC#CCN)CN;RCJKZDHTFPZZMO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74260;MM74260;CCN(CC#N)C(=N)NC;JESGFXVCJLPJFO-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74261;MM74261;C=NNC(NC)=C(C)C#N;YYHOGVQXNBCAPT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74262;MM74262;C=CN(N)C(=O)C(N)=NN;ZTZAXUQPQJNBDD-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74263;MM74263;C#CC(OC=C)C(=N)NC;OFLYJPYQTORUEF-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74264;MM74264;C=CC(CN)CO;SQPJKFUJMVBOJA-UHFFFAOYSA-N;101.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74265;MM74265;CC=CC(CN)CO;MLHVXSMPYIWXOP-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74266;MM74266;CCCC(O)C(O)C(C)O;DSNDTZRJRVQFEQ-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74267;MM74267;C=C(C)C(CN)CO;FXVJNTITFZSYFK-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74268;MM74268;C=CC(CNC)OCC#N;DJEIEYDDCNKCTJ-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74269;MM74269;C#CCOC(C=C)CNC;AMJMTETYUFPQIJ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74270;MM74270;C=NN=CC(CF)CNC;FVQQAGGONRIWBA-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74271;MM74271;CC(C=NNC(=N)N)CO;MYPSMROUHJNHFI-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74272;MM74272;C#CC(=CC#N)NNC=N;OBQAQPWFIRPTSY-UHFFFAOYSA-N;134.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74273;MM74273;CC(=CC(CN)CO)CF;IQUPIZHYABUMPG-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74274;MM74274;CCC(C)=C(CN)C(C)N;VTWNKOIFHHWRKO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74275;MM74275;C#CCCN(C=N)C(C)=N;SZQGREZGMPWWNT-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74276;MM74276;C#CC(C)=CC(CN)CO;JMHHSUJRBUDEEZ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74277;MM74277;CCC(CNCCN)OC;XXZRDHNTTUYQAJ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74278;MM74278;CNCC=CC(OC)OC;RXBMWAKQDZRDDR-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74279;MM74279;CC#CC#CC(CN)CN;NRRWXQGGDYXDLR-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74280;MM74280;C=NNC(=N)C(C)=O;JUFPATWGRXZMBA-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74281;MM74281;CN=C(C#CCNC)NC;WGRZCVPWDBIKDB-UHFFFAOYSA-N;139.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74282;MM74282;C=NNC(C=O)=NC;DKTWSPUWYJLWCQ-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74283;MM74283;CC1(C)CC1N;IVYCMLREPMLLEO-UHFFFAOYSA-N;85.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74284;MM74284;CC=CCNC;UUBPFQGETKBNFO-UHFFFAOYSA-N;85.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74285;MM74285;C=NOC=NNC(C)C;FOKMAMNTLBZABU-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74286;MM74286;CC(F)C=CC(CN)CO;HOEGTQPBIUSABH-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74287;MM74287;C=C(F)C=CC(CN)CO;HUXAETLDZULITJ-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74288;MM74288;CNC1CC1N;OEPKLHJJULWQIG-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74289;MM74289;C=NOC=NNCCC;DLDLMHWYOQKKOO-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74290;MM74290;CN(C)C1(C)CC1;OXSZRFKYYAIKAQ-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74291;MM74291;CNCC=CC(C)F;KTHISWYWAIOTEB-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74292;MM74292;C=C(C)C(=C)CNC;MQKOQDORDXTSOW-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74293;MM74293;CN(C=N)N(C)C=N;XKAQUNSPKKSAKM-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74294;MM74294;NCC(C=CCCF)CO;QDNDSVMMSHVOPZ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74295;MM74295;C=COCC(=N)NN;IWCPWZWHUMUWQD-UHFFFAOYSA-N;115.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74296;MM74296;COC=CC(=N)NN;WEBMNGRCUPZZKG-UHFFFAOYSA-N;115.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74297;MM74297;CNCCO;OPKOKAMJFNKNAS-UHFFFAOYSA-N;75.11;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74298;MM74298;C#CC1(C)C(C)C1N;UUTJVPRPXAJFER-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74299;MM74299;C=CC(=CC)CNC;KYQSSVOCVXPCFG-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74300;MM74300;CC=C(CN)C(C)N;HZJGXLZXBGRTFV-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74301;MM74301;CNCC=CCOC;LJMHCCDLXPKXEG-UHFFFAOYSA-N;115.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74302;MM74302;CNCC=CCC#N;UNTFYUSUFDOPPF-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74303;MM74303;CC(F)(F)CC(=N)NN;SLNVXOUENSXGEL-UHFFFAOYSA-N;137.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74304;MM74304;CNCCC(F)(F)CF;APFQZOYGDWIQHD-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74305;MM74305;C#CC(F)C(C#N)N(C)C;UVVAKSWYUJSYJU-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74306;MM74306;CNC(C)(C)CCC#N;RLOJGAJRQFMBCL-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74307;MM74307;C=CC(=O)N=C(NC)OC;KQZDWIJEOOITGH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74308;MM74308;CNCC(C)C#CC=O;UVIGLLSUHKONNR-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74309;MM74309;C=NNC=NOCOC;GHJYKWRMTBRRGH-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74310;MM74310;C=C(C)C(C)N(C)CC;QSHKPZKPUAZNRU-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74311;MM74311;C#CC(CC(C)O)C(C)N;MPYZRBSRKSDWDP-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74312;MM74312;C#CCNC(C)C(C)N;JDPDGIQMVMKBQT-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74313;MM74313;C=C(F)C(C)=CCNC;BWYJKZQRPMVPOP-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74314;MM74314;C=CCNCC(C)NC;YMRQQZNXOBZNCS-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74315;MM74315;CNCC=CC(F)C#N;CZAXOKKQWJTLOP-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74316;MM74316;C#CC(C)C=CCNC;QAKHRTCZZPLYMF-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74317;MM74317;CCOC=CC(=N)NN;YOOQWSRQZFILKH-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74318;MM74318;C=CCC(N)C(C)OC;BICGTJWRUHOWLY-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74319;MM74319;CC(=O)N(O)C(C)CCF;MFFWGVXZZXDMAE-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74320;MM74320;C=CC(F)C(N)CNC;KHBFWKPTVVUPPH-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74321;MM74321;C=CCC(=O)CNC=NC;SYSHNFYVGOYLKC-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74322;MM74322;C=CCC(N)C(=C)CN;OZWVQLPTJYBNGM-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74323;MM74323;CCC(N)C(N)C=CF;UBHUHLYLLPTZGQ-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74324;MM74324;COCCN=CC=CNO;AAUWZHAVQRMXCD-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74325;MM74325;CNC(=O)C(C)N=C(C)N;SPNIEQYKRLBDFH-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74326;MM74326;CC=C(C=CF)CNC;IAFPUUBFKLJEDS-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74327;MM74327;CON=C(CCN)OC;KISWNTSDSJAZBC-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74328;MM74328;NCCC#CC=CCO;JPQLLHMAABTUBQ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74329;MM74329;CNCC=CCOC=O;XQGYAQDWRAASTI-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74330;MM74330;CNCC=CCC=NN;CBKACHNCFHRJED-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74331;MM74331;CNCCC(F)(F)CC#N;UWUFLPSCWZOLMF-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74332;MM74332;C=C(C)C(N)(CN)C(C)C;ZQYJCZSGUFLMSS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74333;MM74333;CC(C)=COCC(=N)NN;ICSCILRINWIPEE-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74334;MM74334;N=C(C=O)NC(=N)CF;JESDBWOCSKDMAG-UHFFFAOYSA-N;131.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74335;MM74335;CC(F)=COCC(=N)NN;JSXNLHRXQRYJHW-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74336;MM74336;C=C(CN)CC(F)CNC;VRLNZYNOQPDKEP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74337;MM74337;CC=NNC(C#N)COC;WQINZESGUDEZHW-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74338;MM74338;C#CCC(C)N(O)C(N)=O;RXUWFGLCVPDRGO-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74339;MM74339;CC(=CC(=O)C=O)N=CN;UWAJQUFIOAIQEJ-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74340;MM74340;C=C(C)CC(N)C(=C)CN;BJEYAXDYUYLITA-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74341;MM74341;CCC(N)C(N)C=C(C)F;SMTSQTDYCRSUIO-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74342;MM74342;CC=CC(CN)NC(C)C;VJDMURPHGFFBHQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-hydroxy-2-methylheptan-4-one;MM01692;CCCC(=O)C(O)C(C)C;VKLZESYVUQDSRK-UHFFFAOYSA-N;144.21;1.37;13926326;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74343;MM74343;CN=C(CCO)N(C)N;YIHUKWAYCSUULV-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74344;MM74344;ON=CNCC#CCF;ATQJQKXZARKBLY-UHFFFAOYSA-N;130.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74345;MM74345;CC(C)C=C(CN)C(C)N;QLHBFDDQVUUCQZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74346;MM74346;CN(C)C=NCC#CCN;CDFDLLAEVLLPOI-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74347;MM74347;C#CC(=NO)NC=C;OSFGAKUIQLSWMD-UHFFFAOYSA-N;110.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74348;MM74348;CNCC=CC(C)CC#N;DDVXHXTYCRAQCG-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74349;MM74349;C=NNC(C)C=CCNC;LSVHFJDOKVNWJV-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74350;MM74350;CNCC=CC(F)C=NN;SQMUREJZZQNWNT-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74351;MM74351;C=COC(CCN)=NOC;BWLPBVYIJDFEQB-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74352;MM74352;CC#CC(=CCN)CNC;MIRHCBQGRCWLIT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74353;MM74353;CCOC(CNC)C(C)N;AZXNOKIBRDBRDN-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74354;MM74354;C=NNC(=O)CON=CC;DBTSFXYXPPCMKK-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74355;MM74355;CCNC(=O)N(O)C(C)C;SWCZAFYDOHGXDS-UHFFFAOYSA-N;146.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74356;MM74356;C=C(C)N(C=CF)C(C)=N;XYNIGBSKBZGISR-UHFFFAOYSA-N;142.18;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74357;MM74357;C=C(C)C(C)(N)CCO;QVAOAZGXQGCARV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74358;MM74358;C=CC(N)(CC)CCO;ZNVUCRXIDORXCU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74359;MM74359;C=C(F)C(CC)(CN)CN;PCHZIHUZPPWRBH-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74360;MM74360;C#CC(C#N)CNN=CC;HLWWWLXZBWIACG-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74361;MM74361;C=C(CN)CC(CF)NC;RRXWAANOXKGIGR-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74362;MM74362;C=C(NC=O)C(O)C(C)O;RLFFSXBMTZKNIJ-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74363;MM74363;NN=CC#CC=NNC=O;SBFXFKSAFQBLGO-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74364;MM74364;C#CC(CC)NCC(C)N;WSGDQVHQZBRZJK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74365;MM74365;C=CC(C)=NO;CRJRYBCZMPIBJG-UHFFFAOYSA-N;85.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74366;MM74366;C=CC(C#CCCO)CN;VLHJJUGHANWWNU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74367;MM74367;CCC(N)C(N)C(C)NC;XKQMQILZRIYGTF-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74368;MM74368;C=CC(=C)C(N)C(N)CC;QVMUVORXHJEQKV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74369;MM74369;NCCC#CC=CC(N)=O;GIJSGJLLILAMPT-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74370;MM74370;CN=C(C#CCC=O)NC;KGKDMDFBSAKHMZ-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74371;MM74371;CNCCC=O;AAOIVJJZEDSKPA-UHFFFAOYSA-N;87.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74372;MM74372;CCC(N)C(C)NCCF;YXDHUEGHNMKFNG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74373;MM74373;C#CCN(C)C(=N)CC=O;HPDRNNRVQSEFKP-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74374;MM74374;CC(C)N(C)C(=O)NC=O;IWRROWMXSOODNH-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74375;MM74375;C=CC(NC)C(C)CC=O;LSNPCASMDUKQCL-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74376;MM74376;CCC(=O)CN=CNC;YYIWUAWKPVFOJA-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74377;MM74377;C=CCCC(N)C(N)C=C;QTAHANCQUONWJQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74378;MM74378;CC=NN(C)CC(O)C#N;LTRRKVADPFSQRR-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74379;MM74379;CCN(C)C(=N)NCC#N;XEFYRRRGOWLUMW-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74380;MM74380;COCCC(=N)N(C)C=N;GEKFMVGLIBRVOP-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74381;MM74381;CCC(F)C(O)C=NNC;UPTVQHYMWBPLBJ-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74382;MM74382;C=CC(=C)C(=N)NCC#N;NBYKFBNTAZYQIN-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74383;MM74383;C=C(C)NC(=NN)NC=N;NBGTXXSHXXIQKT-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74384;MM74384;NN=C(NN)NN;RTZLPSUDDQWQGE-UHFFFAOYSA-N;104.12;-2.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74385;MM74385;CCCC(=O)C(C)C(N)=O;DZAPSOJMUKVTRZ-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74386;MM74386;CCC(N)C(N)C=COC;HAIUSHIXMSLNKK-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74387;MM74387;C#CC=NN(C)C(=N)NC;DKHQTXULRVTLGP-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74388;MM74388;C=CNC(=NN)NC=N;XTDNNELQHQPFLT-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74389;MM74389;CC(NNC=N)=C(F)C#N;AWFQNKPYNVSDHJ-UHFFFAOYSA-N;142.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74390;MM74390;CNC(C)CC(=NN)OC;MFMBACSVUPDZMY-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74391;MM74391;C=C(CN)CCNCCF;WRCYIWDRKZYMFV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74392;MM74392;CCNCCC(=NN)OC;LBRBFHZGFDQLSW-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74393;MM74393;CCNC(=O)C(C)C(C)=O;VWAZBWBFYOAMHH-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74394;MM74394;C#CCCN(N=C)C(=N)N;XFZJREBJLUOSMS-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74395;MM74395;CN=C(C=C(C)N)NN;LNEQFIUFCIVBTC-UHFFFAOYSA-N;128.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74396;MM74396;C=C(N=CNN)N(C)C=N;GFJYCTYJOBPYKY-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74397;MM74397;CNCC=CCC(=O)OC;WYLIYTKBJAAHER-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74398;MM74398;CNCC=CCC(C)=NN;MDBPLTDFNOLWOA-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74399;MM74399;CC(O)(C#CCCN)CF;JYBAJPMXARGJRY-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74400;MM74400;CC=C(C)N=CNNC=N;SNNHRKCMZYDTMW-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74401;MM74401;CCCOC=CC(=N)NN;HOFFPMMZJFPDJX-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74402;MM74402;CCC(N)C(C=CF)NC;OCTYOJOOWJIIES-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74403;MM74403;C#CC=C(CN)C(N)CC;CIACWBWDHNGMEI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74404;MM74404;C=CC(CNC)=C(C)CF;QSLNNNOUJJDBKB-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74405;MM74405;CON=C(NO)C(C)(C)O;ZCNDPRDTMIHXPH-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74406;MM74406;CNCC=C(C=NN)CF;WURPTULSPKPTOK-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74407;MM74407;C#CCC=C(CN)C(C)N;RHXOUNISDCTWRT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74408;MM74408;C#CC#CC(O)C(C)CN;XQIUBYWIMQVNDR-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74409;MM74409;C#CC(O)C(C)CN;SNPKUUSOJTUBMH-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74410;MM74410;C=C(OCC)N(C)C(N)=O;CTTNQFIIOXEEKM-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74411;MM74411;C#CC(C=CCNC)OC;AWUZBWICSLHCST-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74412;MM74412;C=CCC(=C)C(CN)NC;PSQPYJULFYHPDT-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15506;MM15506;C=C(C)C(C)C(=O)CC=O;UVSXUBIIDBJQCL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74413;MM74413;C=C(F)C(O)CCN;JMVWZOGHTHJDNU-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74414;MM74414;C=C(CC=O)C(O)C(C)=O;UVADEEIGQOOPDH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74415;MM74415;C=C(C)C(O)C(=O)CC#N;BAEMNYYBBOYYNU-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74416;MM74416;C=C(CC#N)C(F)C(N)=O;YNZMGPNWNDUPCR-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74417;MM74417;C=C(NC=O)C(C)C(C)=O;VWPMIYNZQIMFDM-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74418;MM74418;C=CCC(N)C(=CC)CN;WHTAIRXAXXCVFY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74419;MM74419;C=NOCC(O)C=CC#N;ZPTHDRLPWFSXQD-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74420;MM74420;C=C(C)C(C#CCO)=NN;KYZNRYRMBXCIKX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74421;MM74421;C=CC(C)(C#CCO)CN;WRBVQWCYXWEJRQ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74422;MM74422;C=CC(CO)=NOC;BHPTXVKZKCUTSU-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74423;MM74423;C=CCC(O)(CF)CCN;CFKRPGMKMIPLSV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74424;MM74424;C=C(C)C(F)C(=N)NC=O;AIFFSXXXPDAVLP-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74425;MM74425;CC=CCN=CNNC=N;OJEHDNDCBLPKSN-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
N,N-dimethylethanamine;MM00859;CCN(C)C;DAZXVJBJRMWXJP-UHFFFAOYSA-N;73.14;0.57;11723;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74426;MM74426;NCCOCCN;GXVUZYLYWKWJIM-UHFFFAOYSA-N;104.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74427;MM74427;C=C(CC#N)N(C)C(N)=O;JWYZSLKXCCDNMI-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74428;MM74428;C#CC#CCCN;ZMVUKHORNPUNAE-UHFFFAOYSA-N;93.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74429;MM74429;CC(C)C(O)C(F)CCN;UWZRHOALPZGZKV-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74430;MM74430;CCCC(O)(CF)CCN;VFCMILMJBSQFTG-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74431;MM74431;CCOCC(O)C(N)CC;QMIWSVAQYMKJAH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74432;MM74432;CNCCC(C)(F)F;MWEFKLJGEIHOGM-UHFFFAOYSA-N;123.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74433;MM74433;C=COC(=C)C(O)CCN;CJVPXZPTYJSASV-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74434;MM74434;C=C(F)C#CCCN;LDBBPNAIJXDRFL-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74435;MM74435;CCC(O)C(F)CCN;NBWDTCXQVRIETL-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74436;MM74436;CC(C)(O)C(F)CCN;CQDLPEQFKVPSJD-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74437;MM74437;C=C(CC#N)N(O)C(C)=O;OUPOVSWUCIDQSB-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74438;MM74438;C=CC(C)(O)C(N)CCF;NQWJEVLUYSEEAU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74439;MM74439;C=CCC(=C)N(O)C(N)=O;XZUSAEXBVFEIAR-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74440;MM74440;C=C(CC#N)N(O)C(N)=O;MEHPHZXWNQBBDG-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74441;MM74441;CC(O)C(=N)N(C)N;PVTNCQRHYLJHRV-UHFFFAOYSA-N;117.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74442;MM74442;C=COCC(C)(O)CCN;OUWFKORUJYDGDZ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74443;MM74443;N#CCC(=N)N(O)C(N)=O;JQMDHWJUDNDZDQ-UHFFFAOYSA-N;142.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74444;MM74444;C=CC(C)=CCNC;HJUKYAVVKGCJBM-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74445;MM74445;CCOCC(C)(O)CCN;JAPMHMSDYNAQMX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74446;MM74446;NN=C(C=CCF)CO;LWEQFPZQCGDLHT-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74447;MM74447;CC(C=O)(CO)NCC#N;FTOAMZPHVWPNCV-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74448;MM74448;C=C(C)N(C)C(=O)NC=O;LLFWSBMXWSNKDW-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74449;MM74449;CNC(=O)ON=CCCN;UZCCGHPVHJXHPN-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74450;MM74450;C#CCN(C)N=CC(C)O;UROKTFRKTGMBFC-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74451;MM74451;C#CCN(C=C)C=N;WJWVWPZVSNYXRF-UHFFFAOYSA-N;108.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74452;MM74452;CC=C(NC=N)OC;FQTQEXSNTNGBDP-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74453;MM74453;C=C(C)N(N)C(=O)NC=O;LHGQGQRAOBRCBV-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74454;MM74454;C=COC(C)(CO)CCN;UWVLHLLRIYJVCD-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74455;MM74455;C=NOC(C)ON=CCO;VTCLJIILSPYPCN-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74456;MM74456;C=CNC(=O)N(O)C(=C)C;ULVQYLYLATWTEA-UHFFFAOYSA-N;142.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74457;MM74457;CCC(CO)(CCN)OC;LSCFFLQIDTYHDG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74458;MM74458;CC(F)CNN=CCO;LCIFHUZJDGMAED-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74459;MM74459;C=NNC(=O)N(C)C(C)=O;NLYQMXRDIKCEML-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74460;MM74460;CC(O)C#CCCN;GBKAJQUKVBVCNQ-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74461;MM74461;C=NNC(=O)N(N)C(=C)C;XUPNIURUEVMAHF-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74462;MM74462;C#CC(=CCN)CN;NICVRTWRCQMPAI-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74463;MM74463;C=COC(=C)N(O)C(C)=O;UCZVUEKXXHIJOP-UHFFFAOYSA-N;143.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74464;MM74464;CC#CC#CCCN;BLSCRWNMGARAQX-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74465;MM74465;COC(=O)CC(C)(C)N;JOTOUSGKSPPFQF-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16434;MM16434;C#CCC(=C)C(O)C(=O)O;RKHMFGFUZVMLLD-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74466;MM74466;CNCC(N)C(C)(C)F;OTWUFZMWYXJNDO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74467;MM74467;C#CCC(=C)N(C)C(N)=O;DGZITDGUFAXPQW-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74468;MM74468;C=CN=C(C)NC(C)=N;QCXSNRDDOIWOCD-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74469;MM74469;C=CC(N)C(C)(C)CN;RMITYXKUQJHTJM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74470;MM74470;CNC(=N)C=C(F)C#N;KPBLYVKTCLMNQB-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74471;MM74471;C=CC(CN)NC(C)C;SKSGUGXBJOFCRW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74472;MM74472;CNCC=C(C)C=NN;VJNNBNNJRZBUGP-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74473;MM74473;C#CCN(C)N=CCO;QUNJFKVILUOTLI-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74474;MM74474;C=C(C)C(C)=CCNC;GMBBNYZMKYNNKV-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74475;MM74475;C=NOCC(=CF)CO;CTRPVXQIUGIDSK-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74476;MM74476;C=CC(N)C(N)CCC;OHCMSEMRSJYLCX-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74477;MM74477;C=C(CO)C(C#CC)=NN;ALXUUSOMGQJUAP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74478;MM74478;C#CC(C)=C(C)CNC;ZSUMPCZUQIQOJQ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74479;MM74479;CC#CC(=CCN)CN;BRGGUPXCLAEGPK-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74480;MM74480;C=C(C)C(CNC)OC;YGLJXHTUDIMYQU-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74481;MM74481;C=COC(OC)C(=N)N;HBHLXCNKAAVBQP-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74482;MM74482;C=CC(CNC)=C(C)C;QLQYYTYDTRGPFJ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74483;MM74483;C=CC(CN)(CN)CF;YZYFMAYWZCHVKZ-UHFFFAOYSA-N;132.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74484;MM74484;CCON(C)C(=O)C(C)O;DNCYSPAVIRNWJU-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74485;MM74485;C#CC(CN)C(=C)OC;CHKVYKSIDCJFGR-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74486;MM74486;CC(C)C(O)C(C)N;QLKNFSOWJQLKLV-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74487;MM74487;CC=C(CN)C(C)NC;UIHXDNCMOQNLCV-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74488;MM74488;CC=C(CN)CNCC;IXYRJFXKOWLKAX-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74489;MM74489;CCCN(O)C(=O)N(C)C;KZYZSLAIMIRIRJ-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74490;MM74490;C#CC#CC#CCCN;OIMJLZZHBKMHRW-UHFFFAOYSA-N;117.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74491;MM74491;CNC(C)(C)CN(C)C=O;HBVFWLMJIKCMIJ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74492;MM74492;CCON(C)C(=O)N(C)O;ZNKGWURZCVQUDC-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74493;MM74493;CC(C)C(=O)C(C)NC=O;GYMMVBMDALUPDZ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74494;MM74494;CCOC(CN)C(C)(C)N;YGHORIJCMVAHCN-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74495;MM74495;CNN=C(C)C(C=O)C=O;YTTCFXFLNMCRAY-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74496;MM74496;O=CCC=NNCCF;IAZMTMZACWFFQR-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74497;MM74497;CC=NOCOCCCO;WIVRCJQEVIAHTL-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74498;MM74498;CCC(C)(F)C(N)CNC;GEENCOYPDDMUNW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74499;MM74499;C=CC(F)=CC(O)CNC;ULGZEYJFNIGNCF-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74500;MM74500;CNC(C)(C=CF)C(C)N;KHXVSGCGIDIOSS-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74501;MM74501;CC(C#N)NC(=N)N(C)C;PCHFIXPSFIYPJU-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74502;MM74502;CCC(N)C(N)C=C(C)C;NOUVEYBKBWYWEP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74503;MM74503;CNCC(O)C=C(C)F;RFSGJCICYHHARU-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74504;MM74504;CNCCOCCN(C)C;BPOJHKFBHRYIHZ-UHFFFAOYSA-N;146.23;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74505;MM74505;C#CCC(O)(CC)CCN;AFXFMGFDBDODMQ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74506;MM74506;C=NN=CC(=NN)NN=C;ASDLBUVZMZSLTM-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74507;MM74507;CC(F)C(=O)N(C)CC#N;MCBHPUCDPNZFFV-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74508;MM74508;C=COC=CC(O)CNC;IUZHWTTUOUVLBU-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74509;MM74509;CON=CCC(C=O)OC;QXZZGFVSAXQAKH-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74510;MM74510;CNNC(=N)CNCC#N;KIZDMXNDCYCTMN-UHFFFAOYSA-N;141.18;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74511;MM74511;C=CCC(=C)CNCCN;GMIPINUOHOSLJP-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74512;MM74512;C=CC(CF)=NNC=NN;YOEPSDFWSWJKCA-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74513;MM74513;C=CC=C(C)CNCCN;RVPCZZZAEFROFC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74514;MM74514;CC(F)=C(C)C(O)CCN;GEONSDXIXMJZGE-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74515;MM74515;C#CC(CN)C(C)N(C)C;UUNYVBGWAUAONK-UHFFFAOYSA-N;140.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74516;MM74516;CN(O)C(=O)N(C)CC#N;SSCJXUVXDPBVOT-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74517;MM74517;CN(C)C(=O)N(O)CC#N;GWEPUUSRCLUZQX-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74518;MM74518;C=C(F)CC(O)C(C)N;CUQLHIUFBGHMDK-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74519;MM74519;CN(C)C=NCC(=O)CF;CLSULQQQXPBEDD-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74520;MM74520;CN(C)C(=N)C#CC=NN;FKEDPGKGHUMULF-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74521;MM74521;C=NN=CCC(O)C(C)N;JBAOMQGNTOAWPU-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74522;MM74522;C#CCN(C)C(=O)C(C)O;QVZICYQDHUSINH-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74523;MM74523;CC=CC(CN)(CN)CF;KQYRKRZOCKYDDE-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74524;MM74524;C#CC(CN)CN(C)CC;MZDRJAXMEVWVOK-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74525;MM74525;C=C(CN)C(N)C(C)CF;YVXLFRCNAOJEMJ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74526;MM74526;C#CC=C(C)C(O)CCN;NCZUAUCPHWOVHY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74527;MM74527;C=C(C)CC(O)C(C)N;IMECVNOQBHQLAZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74528;MM74528;C#CCC(O)C#CCCN;HCOZNVPRSZKUFO-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74529;MM74529;C#CCN(C=NN)N=C;GHMITMUWGDYDLH-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74530;MM74530;C#CCN(C)C(=O)N(C)C;JAZDXSPBUXYFMJ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74531;MM74531;C#CCN(C)C(=O)N(C)O;DQVYIPYPIHEWDC-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74532;MM74532;C#CCN(O)C(=O)N(C)C;KFSYLFJUYGURED-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74533;MM74533;C#CCN(O)C(=O)N(C)N;ILXRBGHWDCUQQF-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74534;MM74534;CN=C(C)N(C)N(C)C=N;GJMDDQDRBCURDC-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74535;MM74535;C=CCCN(C)C(C)CN;SPGVCGIWXZNVLF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74536;MM74536;C=C(C)C(=O)C(O)CCF;AZCNKCKZMFGBPL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74537;MM74537;C#CCCC(N)C(=C)CN;UBFPRBKJNNXGTA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74538;MM74538;CC=NN(C=N)C(C)=NN;QZRMLMKOKMDXLR-UHFFFAOYSA-N;141.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74539;MM74539;COCC(C)C(=O)C(C)=O;QBJOWEFIAAAYBK-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74540;MM74540;C=NNC(=N)OC=NN;DGHFKKQYTQICQK-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74541;MM74541;C=CC=CC(N)C(N)CC;CNDCAWABTQULQT-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74542;MM74542;CCCN(C)C(=O)C(C)=O;SMWWILSZARNVQI-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74543;MM74543;C=C(CC)C(O)CCN;IEIPLJZZXCGYBQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74544;MM74544;CNCC=C(C)C(N)CF;QQFXQTLQTVBERO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74545;MM74545;C=C(C)C(O)CCN;IMBSIYINKDXGEO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74546;MM74546;CCON(C)C(=O)C(C)=O;DQXJELDUPJRGOM-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74547;MM74547;C=C(C(C)=O)C(C)CC=O;HVURQKOATUOIGX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74548;MM74548;CC(CF)C(C)(O)CCN;NFVSLRHBQYBNCC-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74549;MM74549;C#CC(N)C(C)=CCNC;WKKXHLAWLLIREY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74550;MM74550;C=C(C)C(=O)C(C)CC=O;WUGRKMHMHKGALV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74551;MM74551;CC(F)=CC(O)CCN;YALHMCQMLGPKIU-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74552;MM74552;CC(=O)C(=O)C(O)CC#N;YNIJPTCUFDQKOH-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74553;MM74553;C=CC(C#N)C=NNC;AAEVNHJCEPZIBJ-UHFFFAOYSA-N;123.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74554;MM74554;C=C(C)C(=O)C(C)NC=O;OBTWUZCTTIPWIG-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74555;MM74555;CNCC=C(C)C(C)=CF;HLIWBJNFPZZCQR-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74556;MM74556;CN=C(N(C)N)N(C)O;WKYOUIQQZKKUOR-UHFFFAOYSA-N;132.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74557;MM74557;CCOC=CC(O)CCN;GADIMXDOUQKBLL-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74558;MM74558;CC(C)C(C)(O)CCN;FDKNWBCQNVFZCC-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74559;MM74559;C#CCN=C(NO)N(C)C;DQBNHAQZVHHOGP-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74560;MM74560;CNCC=C(C)C(C)=NN;PJLREIZRNWTOBP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74561;MM74561;C#CCN=CNC(=N)C=C;PNFQHPNCHHDSKT-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74562;MM74562;CN(CC#N)C(=O)C(N)=O;HDRXEKIGJXIUAG-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74563;MM74563;C#CCC(C)C(=O)C(N)=O;QNZWBOFMLITYCL-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74564;MM74564;C#CCC(O)C(=O)C(C)=O;BQZRDHARDJSOEW-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74565;MM74565;C=C(F)C=CC(O)CCN;YPAGWJDHRAETBN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74566;MM74566;C#CCN(C)C(=N)C(=O)O;LKQWNPRAFYHYEH-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74567;MM74567;C=CC=CC(O)CCN;FRCOWTKVLWJHRC-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74568;MM74568;C=C(CN)CC#CCNC;YGYSOAZKRNXMCF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74569;MM74569;C=C(F)CC(C)(O)CCN;CPZHGYFZGZYKQL-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74570;MM74570;C=C(C(=O)CCO)C(C)C;LJBYOYFXBPXGTB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74571;MM74571;C=C(C#CC=CCN)CN;QXEOCJCCCHDXQA-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74572;MM74572;CCN(C)N=CCF;CQCGJOQKBHUSPS-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74573;MM74573;NCCC(O)C=CCCF;IWBDOKVYBVSKFY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74574;MM74574;C#CC(C)NC(=N)C#N;WEOHZBNTSABQEA-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74575;MM74575;CCNC(CN)C(C)OC;TWRPOIDGCMORTJ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74576;MM74576;CCCN=C(N)C(=O)C=O;WJIYCHGJVHQFKE-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74577;MM74577;CCCNC(CN)COC;TVVWERZZDRMXFA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74578;MM74578;C=CC(CNCC)NCC;GHNFRDZMVOJOBY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74579;MM74579;C=CC(O)CCN;GTYDVILRLCJUHL-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74580;MM74580;CCCC(=O)C(=O)N(C)C;ZGQJSIMWJULHAX-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74581;MM74581;CCCC(=O)C(=O)N(C)O;XTYGFDXOYSCDHG-UHFFFAOYSA-N;145.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74582;MM74582;C=CC(C(=C)F)C(N)CN;BXROMRJVUSZVME-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74583;MM74583;C=C(OC)C(=NC)N(C)N;KKZXMFJJDDVPEG-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74584;MM74584;CCNC(=N)C(=N)NO;KHRCFOMISKMIMJ-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74585;MM74585;CON=C(N)C(=O)N(C)O;JBBADGAPWUKLGB-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74586;MM74586;CON=CC(CN)C(C)F;IJISSHJDKMNERT-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74587;MM74587;C=C(C(=O)CC#N)C(C)O;FXAVROCXFZAWRO-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74588;MM74588;C=C(CC=O)C(=O)C(C)O;YDBXNMPPCFBILT-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74589;MM74589;C=C(CC#N)C(=O)C(C)O;MRBLINVAHQAOTI-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74590;MM74590;C=CC#CC(=O)NNC;VERSTLCWSJIANT-UHFFFAOYSA-N;124.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74591;MM74591;C=C(NC=O)C(=C)C(C)O;JFIMWTRIIUKJOL-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74592;MM74592;C=NN=CC(CN)C(C)F;XORFQVMWOIXFDS-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74593;MM74593;C=CC=CC=NO;SNKFOIMIBQBHJI-UHFFFAOYSA-N;97.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74594;MM74594;CC(C)C(=O)C(=O)NC=N;SQCHOFRPCLQYPC-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74595;MM74595;CC(F)CC(C)(O)CCN;KAYCVVREBXSSGK-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74596;MM74596;CC(F)C(C=O)=CN=CN;ZLPIVPWTVACJMQ-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74597;MM74597;CCNCC(CN)=C(C)C;SNOBSFLDRWPQTF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74598;MM74598;CNN=CC(C)C(O)C#N;CNOWEMDXJLVYPZ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74599;MM74599;C=COCCC(N)C(C)O;VCAYTOYXMITCHY-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74600;MM74600;C#CC(C=NNC)NC=O;PGEZDDLSNJSKCR-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74601;MM74601;C=C(CC#N)C(=O)N(C)O;RNGJUPFZAYDFDS-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74602;MM74602;CN(C)C(=O)C(=O)CC#N;GIQRNAUHAVHMRZ-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74603;MM74603;C#CC(C#C)C(=C)CNC;LSEOTMUAGDHFLS-UHFFFAOYSA-N;133.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74604;MM74604;C=CC(=C)CNC;JOOMGYUTUJLRGQ-UHFFFAOYSA-N;97.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74605;MM74605;CC(O)(CCN)CCF;YISSDFKVPBRCHC-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74606;MM74606;C=NOCC=C(F)CO;LTIJAEZOOFRXFF-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74607;MM74607;CN(O)C(=O)C(=N)N=CN;PMYHGEDTIMLQLL-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74608;MM74608;C=C(C)CC(C)(O)CCN;LVFVRFAPILCTBM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74609;MM74609;CC(O)(CC=CF)CCN;UESKHNCJJUYEMU-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74610;MM74610;C=CC(C#CCO)=NNC;BTTDLHSZCZOUBU-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74611;MM74611;C=NNC(C#N)C(C)O;NFIMFJLBZLBFKW-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74612;MM74612;CC=NOC(C=O)C(C)O;QNLJCAXBSWSBLI-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74613;MM74613;C=CC(=N)NOC;HCVJWROJYNJUBZ-UHFFFAOYSA-N;100.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74614;MM74614;C=COC(=C)C(=O)N(C)O;QLAMMXBSZSNVBI-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74615;MM74615;C=COC(=O)C(=O)N(C)C;LILYZNXNWJDEPV-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74616;MM74616;CN(C=N)C=CF;MIUSBZPCKPCGKJ-UHFFFAOYSA-N;102.11;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74617;MM74617;C#CCC(=O)C(=O)C(C)O;UZAMZGJMHDCGJV-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74618;MM74618;C=C(F)CC(N)CN;RATHHEJLEPWNQB-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74619;MM74619;C=CCC(C)(O)CCN;PTQBTEVVTJCZNY-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74620;MM74620;C#CCC(=C)C(=O)N(C)O;OSSKIRAODWGAQO-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74621;MM74621;C#CCC(=O)C(=O)N(C)C;KYRYYJRYBGBCMY-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74622;MM74622;C#CCC(=O)C(=O)N(C)O;UXKDQCLBXLLLKI-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74623;MM74623;COC(=NC=N)N(C)O;CSQCAACAMDQTRR-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74624;MM74624;CNN=CNN=CCO;NOCGLHRPSSUUSL-UHFFFAOYSA-N;130.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74625;MM74625;CCNN=CNN=CCO;RDYPGOHSXIDODN-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74626;MM74626;C=C(C=CC)CNC;MGJXWQBQZLRSMQ-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74627;MM74627;C=NNC=C(N=N)C(N)=O;FKYCXWZXKNXRLD-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74628;MM74628;C=NNC(=NC)C(N)=O;MSFIKNAFLNQBDY-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74629;MM74629;C=NOC(CF)CC=O;XRAWKYDIJINROT-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74630;MM74630;N#CCNN=CC=CCO;LVXGPKFYAZSYDM-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74631;MM74631;CC(O)(CCN)CCCF;WVMMNXYCMVQKBW-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74632;MM74632;C=C(C=CF)CNC;PUMAARJSLJDMDI-UHFFFAOYSA-N;115.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74633;MM74633;CC(CN)(CF)CF;PQZAHZZMJSPTMY-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74634;MM74634;CN(N)C(N)=O;DOORGKNGFZOACY-UHFFFAOYSA-N;89.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74635;MM74635;C=NNC(C=O)=NNC;OCBPRELIKMXHHY-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74636;MM74636;C=CCC(=C)C(=O)C(C)=O;VSEUQUZVYWGUOU-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74637;MM74637;C=CC(N)C(N)CC;ACZXVSQJNWDQCS-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74638;MM74638;C=C(CC#N)C(=O)C(N)=O;LECIZJYKJHZLGO-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74639;MM74639;C=C(CN)C(C)NC;SQBSSYOBKGROCA-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74640;MM74640;C=C(CN)CNCC;LFHFJFSMODMXQH-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74641;MM74641;C=C(C)C(=C)C(=O)NC=O;YPJUWYYRSZXILW-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74642;MM74642;CNN=CNN=CCC#N;ZNYKHYCDAMCRCK-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74643;MM74643;CCOC(C=O)C=NNC;KLMQAINEJWHQJY-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74644;MM74644;C=C(C)C(=O)C(=C)NC=O;WMAKCIGROSZSSO-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74645;MM74645;C=NNC(C#N)COC;TZMXANOKSYJBMH-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74646;MM74646;CCC(C)(O)CCN;SRGNXDJXTPZYRH-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74647;MM74647;CNN=CC(C)C#N;URVCLHNWTYLVGS-UHFFFAOYSA-N;111.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74648;MM74648;C=NNCC(F)=CC=O;HSIQKMDDUVJZBX-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74649;MM74649;C=CNC(=O)C(=O)C(=C)C;OBCBBRFCMRHPKX-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74650;MM74650;C=C(C)C(=O)C(=O)NC=O;IIWUBWGPINRDBS-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74651;MM74651;CC(C)=NNCC#N;PHOUBEXKXQKGHR-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74652;MM74652;CC(OC=O)C(C)(C)N;SGENNRAWBLQTBO-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74653;MM74653;CC(C)C(N)CN(C)C;ZKUQESYHKKBVDE-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74654;MM74654;CC#CC(C)NC(=N)C#N;POQJJHUVSVDLMI-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74655;MM74655;C=C(NC(C)=N)OC=O;JGPORTYWBWKFTD-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74656;MM74656;CC(=CCN)CN(C)C;UONSWXWMQFYSOR-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74657;MM74657;CC(C)(CO)C(CN)CF;IMNYUAOSUYOHOD-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74658;MM74658;C=C(C=C(C)C)CNC;AEJBTMWZQZPMDI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74659;MM74659;C=C(C=C(C)F)CNC;PBVFOOPGKXTZSJ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74660;MM74660;CCC(CC#N)=NNC;ZUNFLPGZMLIODC-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74661;MM74661;COC=CN(C)C=NO;OPTYQYIOVCHLFZ-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74662;MM74662;CC=NOCC(O)C=O;AQBOWIPDKNRSLM-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74663;MM74663;CCC(C)(N)COC=O;IYQNNUYUSKEJTH-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74664;MM74664;CCC(COC)C(N)CO;LDOZGHPUMIPRKV-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74665;MM74665;C#CCOC(=C)NC=N;NBOTXWCODBJRJR-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74666;MM74666;CC=CC(C)NNC(N)=O;SGFCGXFPSDJQKC-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74667;MM74667;C=CC=CC(=N)NC=N;MDJAMBYIVKKJIY-UHFFFAOYSA-N;123.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74668;MM74668;C=C(C)C(N)C(N)CC;PYKNLYUXLNEVCL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74669;MM74669;CON=CC(O)C=NN;UTNLURFGZHXCCA-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74670;MM74670;CC(C)N(O)C(=O)C=CN;KFXCPLNCVZSLED-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74671;MM74671;CC(C)N(C)C(=O)C=NO;HBRKVBIYJQUGSJ-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74672;MM74672;CNCC(C)OCCO;PAOJFOUKFJTBAD-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74673;MM74673;C=NN=C(C#N)N(O)C=N;UJBZVMWNRYFXHR-UHFFFAOYSA-N;139.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74674;MM74674;CCOCC(C)C(N)CO;BEIODCAFWLAVFG-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74675;MM74675;C=C(C=CC)C(O)C(N)=O;AKHHSSLMNBNZNU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74676;MM74676;CNC(C)CC#CC#N;GKUDGYDCFWAHSU-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74677;MM74677;C=NNC(C)(C#N)CO;BAPJVUOKCXNPSK-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74678;MM74678;C=C(C)N(C)C(=O)C=CN;XFCCZGIKAJJBDJ-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74679;MM74679;CC=CC(=O)N(C)C(N)=O;AGWIAIXCHGVMSE-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74680;MM74680;C=COC(C)C(=N)NN;CQIFAQCPAHHOBQ-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74681;MM74681;CC(C)C(CN)N(C)C;DJVWTEQJNMZOQF-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74682;MM74682;CC(N)C(=CF)C(C)N;RVWCJQGCBPMHNL-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74683;MM74683;C=CN(C=N)C(=N)CC;PRDSVQYQRLTXQL-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74684;MM74684;C=NN=C(CO)NN=C;VKLBHABVAGESEH-UHFFFAOYSA-N;128.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74685;MM74685;C=C(C=NO)N(C)C(C)=O;DHWKGABNEUIFQU-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74686;MM74686;C=NOC(C)(CO)CC#N;POVKPYWLYSHWEP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74687;MM74687;CN(C(N)=O)C(=O)C=NO;VTGBIKFTYHDTOM-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74688;MM74688;C=NN=CC(CN)CF;DDRXTPTZHXVQFR-UHFFFAOYSA-N;131.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74689;MM74689;C=C(C=NN)N(O)C(C)=O;AVMBNKPBZDTEEU-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74690;MM74690;C=C(C=NO)N(O)C(C)=O;SOTAIHVDCBKRBZ-UHFFFAOYSA-N;144.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74691;MM74691;CCC(C)(N)COC(C)=O;XYVZRAMNTKRXNU-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74692;MM74692;C=CC(C)(CN)CN(C)C;CBYONTDRNGJTGA-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74693;MM74693;C#CC(C)(CN)CN(C)C;SBZKWXCGTXYVPZ-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74694;MM74694;C#CC(C)NC(C)C(C)N;XTUCAKQXKKWTGA-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74695;MM74695;C=CN(O)C=NOCC#N;VUOCCSOTOTZRAU-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74696;MM74696;CC#CCNC(=O)N(C)N;SHJZOYFMDDXEHS-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74697;MM74697;C=COCC(C)C(N)CO;ADLOUAKJMYQFCK-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74698;MM74698;C=CCCC(N)CO;XRZOFEYIXZMXAT-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74699;MM74699;C=C(F)CCC(N)CO;USAPZPQBUZGNSO-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74700;MM74700;CC(=CC(F)C(C)N)CN;AIQVOEKPCUTZLO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74701;MM74701;C=C(C)C=CC(=C)CNC;CESGTQMJFYMLRR-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74702;MM74702;CCC=C(F)CC(N)CN;RVYCJALKCIGSNQ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74703;MM74703;CC(CF)NN=CCO;RVESTFWVXGRDEZ-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74704;MM74704;C=CC=C(F)CC(N)CN;WJBIDNQFKYUOEY-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74705;MM74705;C#CC=C(F)CC(N)CN;KKWSKBHIPVOWPV-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74706;MM74706;C=C(C=C(C)CF)CNC;YYZHXCXGTZDFCW-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74707;MM74707;C=CC(C)=CC(=C)CNC;PLGHNDJRXXUHFF-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74708;MM74708;CN(C)C(=O)N(O)C=CF;UBSYTJCAXQRPJO-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74709;MM74709;CC(CN)=C(C)CN(C)C;NMOIJCWZYTXAJC-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74710;MM74710;C#CC(=CC(C)N)OC=O;TWBPUSNFUHHBPD-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74711;MM74711;C=C(C)C=C(C=O)C(=N)N;AFVKZZYLMMGSDG-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74712;MM74712;CNN=CCCC(N)CO;UEKHYIVPFMNREN-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74713;MM74713;CN(N)C(=O)N(C)C=NO;FUHCWMVFXYUHJS-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74714;MM74714;CN(O)C(=O)N(N)C=NN;XATDYQNFTPRDPT-UHFFFAOYSA-N;147.14;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74715;MM74715;C=C(C=COC=O)CNC;MWUNIDMFQOLAML-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74716;MM74716;C=C(C=CC=NN)CNC;NLGBQOHDBXVJOQ-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74717;MM74717;C=NN=CCCC(N)CO;OIOPBELYZKVIFW-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74718;MM74718;C=NOC(ON=C)C(C)=O;KXPBDIYIMBOYPA-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74719;MM74719;CC=CC(O)C(=O)C(C)=O;RORCXNRNFMKZPT-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74720;MM74720;C=C(C)C(N)C(N)CCC;GKEYZHOPDCARNA-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74721;MM74721;CC(F)=C(C)C(N)CCF;BBFHFHBEQMCNFP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74722;MM74722;CNCC(C=NN)C(C)F;LYFOFHZQVSWCDV-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74723;MM74723;C=C(C(C)=O)N(C)C=NO;HOHWGVBZEMBCHN-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74724;MM74724;C#CC=C(CNC)C(C)N;XREKTMJMCPXFFU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74725;MM74725;C=C(OC)C(C)(CN)CN;IERFASJTXFRYTM-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74726;MM74726;C#CC=NN(C)C(C)CO;AXTYOQLTHWMDOL-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74727;MM74727;CN=CN(C)C(=O)C(=O)O;TYOAYLLRMPWUAY-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74728;MM74728;C=C(C=NN)OCCO;AOAQVKAFQSUNCW-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74729;MM74729;C=CC(C)NC(=O)N(C)N;ICVUBTLMZCSLKA-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74730;MM74730;C#CC(N)(CC)CNCC;QHYHDQOJGJYZLU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74731;MM74731;C=CCC(O)C#CCCN;RBVHGGYGUHDMEI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74732;MM74732;CCC(CN)(CF)COC;MSIUCBSXMLRNDK-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74733;MM74733;C=C(C=NO)C(=O)C(C)F;XLZWIABASGNUQU-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74734;MM74734;C#CC(C=O)(CC)C(=N)N;KJXAHWNDWYNDLL-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74735;MM74735;C=C(C=NO)C(=O)N(C)N;PTKHOAHFZKXMEO-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74736;MM74736;C=C(C=NN)C(=O)N(C)O;XJZCPDPINNXHGH-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74737;MM74737;C=C(C=NO)C(=O)N(C)O;CNDQMQPLKQQBGW-UHFFFAOYSA-N;144.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74738;MM74738;C=C(C)C(=O)C(=O)C=CN;IXBQSZBVCYAJMB-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74739;MM74739;C#CCC(CN)C(C)O;NIRAPERCVPDBQO-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74740;MM74740;C=C(C=O)C=CC(C)NC;HADOCKBZHKJZIS-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74741;MM74741;C=CC(C)C(N)C(N)C=C;UUDJMLYCZQIHQX-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74742;MM74742;CC(C)(O)C#CCCN;UBHRSRIFHLINQP-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74743;MM74743;C=C(CC)C(N)C(N)CC;QNIXKESETXYPOJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74744;MM74744;CCC(N)C(N)C=CCF;BHKBFKSYSOJSGP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74745;MM74745;C#CC(N)C(CCC)NC;ZDMOIKNBDGAGJY-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74746;MM74746;CC(C)(O)CCN;PUSZHIWAFZLOMD-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74747;MM74747;CCC(CNC)C(=O)OC;VBGOREQYIHNRPX-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74748;MM74748;C=CCNC(=O)N(C)N;JLNXXDSEKNAXSN-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74749;MM74749;NCC(CN)CO;MNWCNYCFWHBOGH-UHFFFAOYSA-N;104.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74750;MM74750;C=CCC(OC)C(=N)NN;FFQSNOWLPLBEBS-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74751;MM74751;CC=CCNC(=O)N(C)N;JJYLHTTYUVZUPU-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74752;MM74752;CCC(N)C(=CCF)CN;VBHMCQQKLJWCIR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74753;MM74753;C=C(C#CC)N(C)C(N)=O;AICJESXDFQJVHE-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74754;MM74754;CON=C(OC)C(C)CN;NERZAJXXFONZFC-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74755;MM74755;CN(N)C(=O)NC(C)(C)C;HRVCLEVGEMRHOF-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74756;MM74756;CC(C)NC(=O)N(C)N;DRNQDHKACFSYPJ-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74757;MM74757;CNC(C=CCN)COC;RUHSIRLDYSDTCU-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74758;MM74758;CCC(N)C(CN)=C(C)C;ABGQRSUXUDHDRA-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74759;MM74759;CNC(C)C(CN)=C(C)C;ZZJUZRBINLNORZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74760;MM74760;C#CC(C#CCN)C(C)N;FKIUGBLZLWPUCO-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74761;MM74761;C#CC(C)C(CN)CO;BJLARVUXIGWUDD-UHFFFAOYSA-N;127.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74762;MM74762;CCNC(C)C(CN)OC;HDICHBUGWKIKLT-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74763;MM74763;CCCNCCNCC#N;PFGWHRQLAWSDDQ-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74764;MM74764;C#CCC(CN)CO;KDLLZSXNMJNDBO-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74765;MM74765;CCNC(=O)N(C)N;VIZDBCLFWNSSTA-UHFFFAOYSA-N;117.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74766;MM74766;CCC(C)NC(=O)N(C)N;SOVZTHHNBOSHHS-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74767;MM74767;CNC(=O)N(C)N;KMCMZQBYRXQEQH-UHFFFAOYSA-N;103.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74768;MM74768;C=CCCNC(=O)N(C)N;IFHVATLYGAIUEP-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74769;MM74769;CC#CC(O)C(=O)N(C)C;WLQJZKNXDQVWPD-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74770;MM74770;CC#CCC(CN)CO;YMNWNAMJZVZDSH-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74771;MM74771;NCC1(N)CC1;JATTWGKYNBEIMH-UHFFFAOYSA-N;86.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74772;MM74772;N#CCNC=N;UFEVPEJLQMALEQ-UHFFFAOYSA-N;83.09;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74773;MM74773;C=C(C#CC)C(=O)N(C)O;OCCJYCXGPOMWKN-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74774;MM74774;CC#CC(=O)C(=O)C(N)=O;GEYDJLZVTUBUKL-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74775;MM74775;CCN(C)CC(C)N;ZWAVQTLSMDPBHH-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74776;MM74776;C=CCC(N)C=CF;DPVQNWKOCVHLJC-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74777;MM74777;C#CC=C(C)CNC;SVFVELQNXFYBLX-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74778;MM74778;CCC1(C)C(C)C1N;MMQBIFJWYNSCEV-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74779;MM74779;C=CC(C#N)NC(C)=N;MCVQHOVZXBVRJM-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74780;MM74780;CCCNC(=O)N(C)N;KIQLLFWKXPSFHF-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74781;MM74781;C#CC(=CC(C)N)OC;AAFIQFUEHJSCLD-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74782;MM74782;C=CC#CCC(CN)CO;XYVAEQVNIIOCFB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74783;MM74783;C#CC#CCC(CN)CO;FEGKJAATMXTNEZ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74784;MM74784;CC=CC(=N)NC=NC;LIYYIZUAZWQGBY-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74785;MM74785;CC(O)C(F)C(N)=CC=O;CZDFVPXTORAPNW-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74786;MM74786;CNC(C)COCC#N;JSMRKJDINYVMPD-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74787;MM74787;C#CCOCC(C)NC;FRMSYPAZGJEGKJ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74788;MM74788;N#CC=CC=NNCCO;WYEZTCIVUJQNSU-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74789;MM74789;C=C(CN)C(N)CCC;XEVUSFXVSBXAOE-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74790;MM74790;CNCC(CNC)OC;CNMMETFHNCNZOB-UHFFFAOYSA-N;132.21;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74791;MM74791;CCC(CF)CNCCO;KHGCUOGLWSQJAB-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74792;MM74792;CC=C(CNC)CNC;XZWLJKFQDOELFK-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74793;MM74793;C=CC(NC)C(C)NC;IHDKSZPLCVBVTJ-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74794;MM74794;CCC(C)N(C=N)NC;QPTRUXPJHYGQKK-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74795;MM74795;CC(O)CC=NNCC#N;GBGIENNRZHHFFV-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74796;MM74796;COC=C(C)N(C)C(N)=O;VCFSIQQPAQKCRX-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74797;MM74797;CON=CC#CCCN;JJAIRUVYJHVJQF-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74798;MM74798;CCCCNC(=O)N(C)N;JZJFEKRDBIGOLY-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74799;MM74799;C=C(C#CC(C)CN)CO;HCCWBDYLXGNTSX-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74800;MM74800;CC(F)(C=NN)CCCO;RZMWZIUBPSQYAO-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74801;MM74801;CC(C)(CCN)OC(N)=O;MTTAVJNOBCOVCN-UHFFFAOYSA-N;146.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74802;MM74802;C#CC(=O)C(C)C=NNC;QOXJAKCOAFDVAV-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74803;MM74803;CON=C(C)N(C)C(C)=O;ODOURZLCPRCQRY-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74804;MM74804;C=CC=C(C)C(O)C(C)=O;OHIXSHLKDXUJKC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74805;MM74805;CC(=CC#N)C(O)C(=O)O;OYBHTGWQRYXTRN-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74806;MM74806;N#CC=C(N)C(O)C(N)=O;KOVQWQZOQIVHGB-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74807;MM74807;C=NNC(C=O)C=CF;NBBBQYLGLXZEHF-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74808;MM74808;C=NOCC(=O)CCF;KZSYYMADAYGHPC-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74809;MM74809;C=C(C)C(N)C(C)(C)CN;GCVGGPUTTKOKEZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74810;MM74810;CC(=CC#N)N(C)C(N)=O;RLKDOAZKRJDIJD-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74811;MM74811;COC(=CCN)C(C)(C)N;ITMPOYGCVAULBS-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74812;MM74812;C=C(F)C(C)(N)CNCC;VRBIKSZZPIQEJV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74813;MM74813;CNN=CC(F)=CC(C)N;ROBVZCDOKVVRRH-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74814;MM74814;CNN=C(C)C(C)C#N;ZHCPIFRCDJUXIP-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74815;MM74815;CC(C)OC(C=CN)=NN;QIXPDWHFKZYWDT-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74816;MM74816;N=C(N)NN=CCC=O;FSEHRXUBXPNBMB-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74817;MM74817;CC(=O)N(O)C(C)=CC=O;XVZWNMRLJNBDAL-UHFFFAOYSA-N;143.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74818;MM74818;CC(=O)N(O)C(C)=CC#N;JYOYLRWHFCOTND-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74819;MM74819;CCC(N)=CC(=NN)OC;MBTBITWKXWPCEU-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74820;MM74820;C=CC=C(C)N(O)C(N)=O;LCRHCOAPXHHKDB-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74821;MM74821;C=COC(C=NN)=NOC;PAMCLFQLLHZQCG-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74822;MM74822;C=C(C)N(O)C(C)=NC=O;MTWVWPSKGVNAPP-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74823;MM74823;C=NN=C(C)N(C)C(N)=O;GFGPQSUAIXKUCY-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74824;MM74824;C#CCNCC(C)(C)NC;MXTYBOTZACTLEF-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74825;MM74825;C#CC=NNC(=NC)OC;XJOMAKVYQFXXIV-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74826;MM74826;C#CC=C(C)N(O)C(N)=O;ZKHXNBPOCXIERR-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74827;MM74827;CC(=CCO)C(=O)C(C)O;FEDUTARBRQKQLA-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74828;MM74828;C#CCC(N)CCCO;MQECHMKPBIOXFK-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74829;MM74829;C=NN=CCC(C)(N)CN;AZJFVCQMKWWDAG-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74830;MM74830;CC(=CCO)C(=O)N(C)O;RLXDTXUPMXCPEE-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74831;MM74831;C=CC(C)(F)C(N)CNC;BESBVWDUKNUHAC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74832;MM74832;C=CCC(C)(CN)N(C)C;AKCCHEOXOWHWPK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74833;MM74833;C=C(CN)CC(F)C(C)N;SRNGEFWLIYBLOT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74834;MM74834;CC(C)C(=N)NC(=N)CN;HFKSAEVPDHRXMK-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74835;MM74835;COCCC=NNCC#N;OAJKDRAUSMPAPS-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74836;MM74836;C#CC(=N)N=C(N)NC=N;AAJMAKBOJFDXQF-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74837;MM74837;CNN=C(C)C(=O)N(C)O;XBXJOXXIOCYAPX-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74838;MM74838;C=C(C)CNC(C)CCF;QVDDKEPGDAFFHA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74839;MM74839;C=C(C(N)=CC=O)C(C)O;OIDYAENGTBHKLK-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74840;MM74840;CCNCC(C=O)COC;DTBZDKXOBSVSSD-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74841;MM74841;CC(=CC#N)C(=O)C(C)O;DSVUCIWSQSQGGW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74842;MM74842;CC(O)C(=O)C(N)=CC#N;SUQPVNZSMXCWOF-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74843;MM74843;C=NNCC#CCF;KEUXIVDMKPNBDX-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74844;MM74844;CC(N)=NC(C)C(=O)C#N;QWRHHBLUPSQNQP-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74845;MM74845;C=C(C)CNCC(C)NC;VWFFLWHKWNEGEQ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74846;MM74846;C=C(CN)CC(N)C#CC;CDUHEJVLSVKWDH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74847;MM74847;CC(=CC#N)C(=O)N(C)O;MFQKWSOEFQNDCD-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74848;MM74848;COC=CCNCC(C)N;GXLKPYMZFHMGBD-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74849;MM74849;CN(O)C(=O)C(N)=CC#N;RJGHFDSZVFKPTG-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74850;MM74850;CN(C)C(=O)C(F)=CC#N;QEBGPUJFHLXSTI-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74851;MM74851;C=C(C=NOCC)NC=N;VDMUTGSCOHEFGI-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74852;MM74852;CNN=C(C)C#CCCN;CTNITAZKBJRURR-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74853;MM74853;COCC(C)C(=N)NC=N;DAPUQOROJJGYPY-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74854;MM74854;C#CC=C(F)C(=O)N(C)C;VRFLCRJYYJRBFW-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74855;MM74855;C=COC(=C)C(N)CNC;BRNZOUVPUZYQLF-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74856;MM74856;C=C(C)C(=O)C(C)=CNC;MSIWUWOQFASFSZ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74857;MM74857;COC=C(C)C(=O)C(C)=O;VIXPYNOLXUWKAT-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74858;MM74858;CNC(C)C=CCCO;ARAAJZRLJHYTCO-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74859;MM74859;C#CCNCC(N)C(C)C;NQZMYNSFYXJXDE-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74860;MM74860;CC(N)C(F)CC=CCN;BERNZTWOGYRIOA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74861;MM74861;CNCC=CC(N)C(C)F;UIVSGANSAAFFBQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74862;MM74862;CNCC(CC=O)N(C)C;XPILGSKSUBQFLZ-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16137;MM16137;C=C(C(=O)O)C(N)=CC#N;JCSVQGXEJQPAKB-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74863;MM74863;CC#CC(CC#N)NC=N;CQSHMBRXBOMZAQ-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74864;MM74864;CC(=CC#N)C(=O)C(N)=O;LVTJREBVRWBNAP-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74865;MM74865;CC(=O)C(=O)C(N)=CC#N;GTHGIPWDEGQWLL-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74866;MM74866;COCCCNCCC=O;JXHHDHMETMNXGW-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74867;MM74867;N#CC=C(N)C(=O)C(N)=O;QNWPYGCKFCFEAZ-UHFFFAOYSA-N;139.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74868;MM74868;C#CC=C(C)C(=O)C(N)=O;FTLPUAQRTXREFZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74869;MM74869;CNCC(=CCF)CNC;SPBNAZMACNHWRU-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74870;MM74870;COC=C(NC=N)C(C)N;KZWDIUGCCKYFMZ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74871;MM74871;C=CC#CC(=NO)N(C)C;VVABXVXXNBFCFC-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74872;MM74872;C#CC(N)CC(=CC)CN;YVMSZOAQFCWNOT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01721;MM01721;CC(C)=C(C)C(O)CCF;CYMUPGWJIYBXNF-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74873;MM74873;C#CC(CF)ONC(C)=N;USXPCFCZSZFEGF-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74874;MM74874;C=CC(C=C(C)CN)NC;OZQNCZFKNSQLRN-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74875;MM74875;CCNCC(C)NCCF;VBICCTBGBMTXSW-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74876;MM74876;C#CC(=O)N(C)CCCN;OMQCZGDMXRQWPU-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74877;MM74877;CC(=NNC(=N)N)C(C)F;WUKZLSVMBDXUHA-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74878;MM74878;CC#CCN(C)C(=N)CN;DFUNWNCZBZBJQG-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74879;MM74879;CC(F)=C(C)C(O)CC=O;FEEQBYKVAFMHNU-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74880;MM74880;CC(N)=C(C)C(=O)CCF;LFQYYJKTNHPROO-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74881;MM74881;CC(F)=C(C)C(=O)CCO;SHRNYXNLXIXOJO-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74882;MM74882;C=NOCOCC(C)NC;QWXMWXYHFDVLSR-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74883;MM74883;C#CC(C)CNCCNC;ZBRVZOANMADEGR-UHFFFAOYSA-N;140.23;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74884;MM74884;CCC(CF)=NNC(=N)N;FRLKRGULLKIPCG-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74885;MM74885;CCOC(=O)C(C)=C(N)N;YYDHUWRVINQWHF-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74886;MM74886;CC(N)=C(C)C(=O)CC#N;RJTTULNBKYWJRN-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74887;MM74887;C=CCC(=O)C(C)=C(N)N;PMWIABNFIGIHLM-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74888;MM74888;CC(C(=O)CC#N)=C(N)N;HHRWGBVUGNKQOF-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74889;MM74889;N#CCC(=O)C(F)=C(N)N;YEACQVBRFFAKAM-UHFFFAOYSA-N;143.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74890;MM74890;CNC(C)COCC=NN;WYYUFCZYQVYKRG-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74891;MM74891;CC(C)=C(C)C(=O)NC=O;ILKALOYNOJECGV-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74892;MM74892;C=CNC(=O)C(F)=C(C)N;RBAMBLRRPDHLIU-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74893;MM74893;C#CC(=NO)N(C)C=C;BWEWPXBXHHDFDG-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74894;MM74894;N=CN=CN(N)C(=N)NN;SSDYWOUZXYNTLI-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74895;MM74895;C=COC(=O)C(C)=C(N)N;QLBUUCFCDYCVHP-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74896;MM74896;C#CCC(=O)C(F)=C(N)N;CVBSRISFJUABTL-UHFFFAOYSA-N;142.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74897;MM74897;CC(F)=C(C)C(=O)C=CN;IJFZSEVXOLWHEM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74898;MM74898;CC(F)=C(C)C(=O)C=NO;UEJBYVGINXNWFZ-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74899;MM74899;NCC=CCCC(N)CF;YFJBDPVCUAYPPG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74900;MM74900;CC#CC(=O)C(F)=C(N)N;MRZMHBITBVPXOE-UHFFFAOYSA-N;142.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74901;MM74901;C=CCNCC=C(C)CN;DVVBZTNBEODEDI-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74902;MM74902;C#CC(NC=N)C(=N)NC;WPBRZCMZAZUOHA-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74903;MM74903;CC=CC(NC)C(C)NC;NCAFJRRVWHYWOI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74904;MM74904;C=CC=NO;KMNIXISXZFPRDC-UHFFFAOYSA-N;71.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74905;MM74905;C=CNC(=NC)N(C)N=C;QXZLWWJIKMIRKI-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74906;MM74906;CCC(COC)NCCN;IRMAMKZQJDBJHP-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74907;MM74907;CC(CC=O)=C(C)C(C)F;YKDCYAPBOYYOOE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74908;MM74908;CCCN(C=O)CCCN;DJDZXTGNEBHTEA-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74909;MM74909;CC(NC=O)=C(C)C(C)O;BQFVPGACDDCBRZ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74910;MM74910;CC(=O)C(C)=C(C)CCF;FXZNCODOTUQTNA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74911;MM74911;CC(=O)C(F)=C(C)CCO;GOQYLUXHTFBONU-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74912;MM74912;C#CC(=C)NC(=O)N(C)N;FTBPMJWFRXIKOC-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74913;MM74913;CC=CN(C=O)CCCN;UCSBBVPHMHZMFP-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74914;MM74914;C=CCNN(C=N)C(C)C;LNKOURZHNIYKIT-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74915;MM74915;CN=C(NN)N(C)OC;QEXIQGZNRLZKJK-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74916;MM74916;C=NOCC(O)C(=C)C#N;YZVHXXFLKJYZFY-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74917;MM74917;C#CC(=C)C(O)C=NNC;HOQKGJYVAHAGNH-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74918;MM74918;C#CC(O)C(C)C=NOC;MFUQYJGEENMJKY-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74919;MM74919;C=C(C)C(CNCC)NC;ZLOHBBYOXVWQPI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74920;MM74920;CC(=O)C(C)=C(N)CC#N;YEJKEBXSZAEACO-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74921;MM74921;CON=C(C#N)N(O)C=N;APUCNSQEIKZXBG-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16107;MM16107;CC(C(=O)O)=C(N)CC#N;PHISWTRLDBNAHY-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74922;MM74922;CCN(CCCN)C(C)=O;RPLYQULNDJPCKO-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74923;MM74923;C=CCC(C)=C(F)C(C)=O;CZESPEHFWASDIV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74924;MM74924;C=C(C)N(C=O)CCCN;NUZLPVKNVACZMT-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74925;MM74925;C#CC=CNC(=O)N(C)N;XKLLSYACXPWODP-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74926;MM74926;CNC(=NN)N(C)C=CF;GKXHFENQYPIUCX-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74927;MM74927;C=C(C)NC(=O)N(C)N;XDUPPJPOYZJSLE-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74928;MM74928;C=CC(=COC=O)C(C)N;DHKIFVJCCCBUDA-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74929;MM74929;C=NN=C(NO)NCC#N;BPDNWUFJXOLGAB-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74930;MM74930;CNC(CN)CC#CCF;QRGONFDFPHNFJW-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74931;MM74931;CN(C)C(N)=C(F)C=NO;KNNOHOLSGPBRAG-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74932;MM74932;CC=C(CN)OCCNC;XDGAEVFBYCDKKQ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74933;MM74933;CCC=CNC(=O)N(C)N;QINWSRGPBJFBED-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74934;MM74934;CC#CC(N)=C(F)C(N)=O;YNXPDCXVEHISSX-UHFFFAOYSA-N;142.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74935;MM74935;C#CC(=CC=CCN)CN;LWFCWFWWGCIQRB-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74936;MM74936;CCNCCOCC=NN;SSGAIGPNKCOUTH-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74937;MM74937;NCCNCCC#CCF;KOFLNLREHDLDFL-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74938;MM74938;COCC(CCO)COC;KPCQRPJPIRCOSG-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74939;MM74939;CC1C(N)C1(C)C;NPZOXHJFVIOPST-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74940;MM74940;CNC(C)COC;BIJHOXVSOJUIPD-UHFFFAOYSA-N;103.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74941;MM74941;CC1CC1(N)CN;DDKCZJYYHBBTTI-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74942;MM74942;C=C(C)C=CCNC;KEIOCVUCNHLFTR-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74943;MM74943;N=CNC(=NN)C(=N)N;ZRJSPMBZXBMKAV-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74944;MM74944;C=C(CNC)CNC;RMUDJWFPRXVROG-UHFFFAOYSA-N;114.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74945;MM74945;CCC1(CN)CC1N;IGOHQGUZVWIXRS-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74946;MM74946;CC=CNC(=O)N(C)N;XXLNTUFHUOGZPR-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74947;MM74947;CNCC=CC=NN;PCJCJWAGBUEFLE-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74948;MM74948;CON=C(NO)C(C)O;LZAZWWSUOHNOQM-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74949;MM74949;C=CC(C)(CN)NCC;NAVATCUKNRKGKJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74950;MM74950;C=CC(C)NC(C)CN;BZABCOWWVUDQAH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74951;MM74951;CCOC(COC)COC;UEJJMEVRBNJCGY-UHFFFAOYSA-N;148.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74952;MM74952;C=C(C=NOC)NC=N;BETNUXRBTFNAMV-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74953;MM74953;C=CNC(=O)N(C)N;HSQCELGQORDAGY-UHFFFAOYSA-N;115.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74954;MM74954;C=C(F)C(C)C(N)CN;MIHUASGTUMQEKW-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74955;MM74955;N#CCC(CCO)CCO;FENYLDYMNSIGSJ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74956;MM74956;C#CC(=N)NC(=NC)NN;ALVKVZJBFYPFOW-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74957;MM74957;C=C(C)C(C)NCCN;FXCRVIXJKGTPOR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74958;MM74958;COCC(CC#N)CCO;WNYRASWNWYFFTJ-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74959;MM74959;C#CC(=O)NCCON=C;UEEPYCSKHJDJSY-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74960;MM74960;CNCC=CC(C)=CF;KKCRKTSLBBHWGB-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74961;MM74961;COCC(CC#N)COC;WRSQROCTOLGTTD-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74962;MM74962;C=NNC(CO)=NOC;NUQNKKXHELJFQL-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74963;MM74963;CNCC=CC(C)=NN;QCJWVGJUMAPWNE-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74964;MM74964;CCOC(=NC=N)N(C)O;RXHIZQSRGNFARF-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74965;MM74965;CNC(C)C(C)CC#N;TZAKMSZLWGHIDR-UHFFFAOYSA-N;126.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74966;MM74966;C=COC(CCO)COC;DSQXSURVRKXTEU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74967;MM74967;CC#CC(CN)C(F)CN;PHFVTSQCTFXURS-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74968;MM74968;C#CC(CC#N)NC=N;FHMQPCJBCOCVPW-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74969;MM74969;C=COC(COC)COC;XXDOJGXVULFMHA-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74970;MM74970;C=CC(C=C)(CN)CN;UBYUOZAKSUPIOT-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74971;MM74971;C=CC(C=C)(C=C)CN;STUMHHWESHJTTC-UHFFFAOYSA-N;123.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74972;MM74972;CCOC(CC#N)COC;OZWVQUKWMZSKFJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74973;MM74973;C=COC(CCO)OCC;ULJMRSIJXXEHPD-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74974;MM74974;C=CC(CN)NCCC;GVDGHSRELOZTKA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74975;MM74975;C=CC(C#CCF)CN;AKEUUDBGNUOMMW-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74976;MM74976;CNCCNCCCF;CPXTZEXQUHSYFV-UHFFFAOYSA-N;134.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74977;MM74977;CCOC(CC#N)OCC;WBOXEOCWOCJQNK-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74978;MM74978;CCCN(CCF)NC=O;KHITVIMMTPUGPN-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74979;MM74979;CNCC=CC=NNC;BXGYYXDUUKRYFM-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74980;MM74980;CNN=CC#CCCN;JUEUJZJQLWTUBT-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74981;MM74981;C#CC(=N)N=C(NO)OC;DDPMGSINXAPZBV-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74982;MM74982;N#CCC(CC#N)CCF;JFBIYVMCNVDHBC-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74983;MM74983;NCC#CC#CCCN;LEJDQEVGPDQVOM-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74984;MM74984;CN(CC#N)C(=N)C=CN;XMIBXJPVFGBZSD-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74985;MM74985;CCC(C)(F)CC(N)CN;QABTYFLVAQUOHI-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74986;MM74986;COC=C(CC#N)NC=N;YGBPQTZPDBTUDW-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74987;MM74987;C=CC(C)(F)CC(N)CN;PSZBPRFDXISKCB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74988;MM74988;NCC#CCC=NO;HEEUZVYPMCIOQG-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74989;MM74989;C=NN(C)CC#CC(N)=O;ZEUHIJWHEXOIPE-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74990;MM74990;CCC(C)(N)CC(=O)OC;ZQKIEOBCNUGBIS-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74991;MM74991;C=COC(CC=O)CCO;DNPNRVAKCAYMLK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74992;MM74992;C=COC(CC#N)CCO;JMXYYXMPXAXAGR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74993;MM74993;C=COC(CC#N)COC;STHLEPKWJBAYRH-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74994;MM74994;C=COC(C)(C)C(=N)NN;FAIBLEFNTVECKC-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74995;MM74995;NCCC#CC(F)(F)CN;SHRIKRCSLYGNQL-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74996;MM74996;C=COC(CC#N)OCC;CQVZGBKPXZHCCR-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74997;MM74997;COCC(C)(CN)COC;FMPMQRYFTZBCJY-UHFFFAOYSA-N;147.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74998;MM74998;CNCC(C)(COC)OC;ZWGVJSYCXCWZNN-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM74999;MM74999;CC(N)C=COCC=NO;KVWNFMXCQMRTCL-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75000;MM75000;C=C(CN)CC(N)C(C)F;JBMIHJYDTHUHRA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75001;MM75001;CCCN(CC=O)NC=O;CSCMLAWMLCBUFD-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75002;MM75002;C=C(C)C(F)CC(N)CN;RPMQXHQYYWBLLR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75003;MM75003;CC(=CC(C)N(C)C)CN;OKKXAYWKMPEAQT-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75004;MM75004;C#CC(C)(CN)C(C)=NO;RIHFYADCAYAWKH-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75005;MM75005;C=CC(N)CC(=C)OC=O;KRQXNPDOPXLTBZ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75006;MM75006;C=C(C=O)CC(=C)CNC;RIXKZCKLRYTKJP-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75007;MM75007;C#CCN(CCC)NC=O;VIAIXHDQPLUPEJ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75008;MM75008;C=CC(=NN)OCC(C)O;JVSRZGBAJJMYMO-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75009;MM75009;N#CCC(CC#N)NC=O;DQHZIGYIIRHDKT-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75010;MM75010;CCNC(=N)NC(=O)NN;GXCISOAXDHFCJK-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75011;MM75011;C=COC(CC#N)CC#N;VCYIACNTVMHXPW-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75012;MM75012;C=COC(CC#N)OC=O;RZDSDAICUVKFDN-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75013;MM75013;O=CCNN=CCO;CDDXCTOBMPMAPF-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75014;MM75014;CC=CC(F)CC(N)CN;FNHFDFIBCAGPSW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75015;MM75015;C#CC(=N)NC(C)=CCN;UTPBCHMRKYKMLM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75016;MM75016;C=C(C=O)C=C(C)CNC;GVCJTIBTGVXDQI-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75017;MM75017;C#CC(=NNC)C(=C)CO;FSXIAQPLMJYMQY-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75018;MM75018;C=NOCC(=CC#N)CO;FXGNZVFHLMLNTM-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75019;MM75019;CNN=CC#CCCO;GKAOEHNMHBXXAI-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75020;MM75020;N#CCN(CC#N)CC#N;LJAIDEYQVIJERM-UHFFFAOYSA-N;134.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75021;MM75021;CN(N)C(=N)NC=NO;RLOKNRLVHSQDCX-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75022;MM75022;C#CCC(CC#N)NC=O;KKSOMIJEVCWERO-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75023;MM75023;C#CC(N)C(C)NC(C)C;FSQVWCJMJJLUGD-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75024;MM75024;C#CCN(CC#N)NC=O;TUXOPZOOCALEJF-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75025;MM75025;C=CC(=CC(=C)C)CNC;SRDBVZVLOHPPPL-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75026;MM75026;C#CCC(CC#C)CC#C;DBVZFDBLQXYJNO-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75027;MM75027;CC(C)NN(C=N)C(C)C;WNTYHMBDMAHPAU-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75028;MM75028;C#CCC(N)CCNN=C;QFWFINODQBBVOI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75029;MM75029;N=CN=CNN=CCC=O;DGXVXQRRPMQWML-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75030;MM75030;C=CCC(N)C=COC=O;GZIZHNPYHZPSSD-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75031;MM75031;C=C(C=CCNC)C=NN;OADFDSKOYDFKPD-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75032;MM75032;CNCC=CC(N)=CC#N;JGUKWIQGGZZOKV-UHFFFAOYSA-N;137.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75033;MM75033;C=C(C=NN)C(=C)CNC;MZVPOGLHORPKTN-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75034;MM75034;C#CC(OC)C(=C)C(C)N;COHJLLGVWJUFHQ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75035;MM75035;CCOC(C=NO)OCC;RFBOFHYKOSLVSA-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75036;MM75036;CC(F)C(N)CC=CCN;OEDBQIBVBQCZTM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75037;MM75037;CC(C#N)NN=CCCO;QZBDDRYMCFCKEB-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75038;MM75038;C=CC(=NO)C(C)CNC;RYWKXBYNENSAID-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75039;MM75039;C=NN(CC=O)CCC#N;ZPUGNOBFYHKWFQ-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75040;MM75040;C=NNC(C#N)C(C)C=O;XNJVRBGILSVJBI-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75041;MM75041;C=NNC(C#N)CCC=O;ORXXSMDRFSABJA-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75042;MM75042;CCON(C=NO)CCF;VPNJRXPATLCGOY-UHFFFAOYSA-N;150.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75043;MM75043;CC(C=CC(C)N)=NO;YEOFAHHELPJJJY-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75044;MM75044;COCC(C=NO)CC#N;WMWVKBZNHYYQCD-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75045;MM75045;C#CCC(=N)N(C)C(C)=N;JAUPOWMYYCLISA-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75046;MM75046;CCCC(C=NO)NC=O;RFVANQWXVYHXKJ-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75047;MM75047;CNCC(C)C(=O)N(C)C;XRWTYOJBFUQYGW-UHFFFAOYSA-N;144.22;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75048;MM75048;C#CCN(C)C(=N)C(C)N;FJGBGAISSZUTOL-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75049;MM75049;C#CC=NNC=NN;SYDCBYCNAQYRKN-UHFFFAOYSA-N;110.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75050;MM75050;C=COC(C=NO)CCO;HGXLJSFJHAWRES-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75051;MM75051;CNCC(C(C)F)N(C)C;QJXKSQBBACVOOE-UHFFFAOYSA-N;148.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75052;MM75052;C#CC(N)(CC)C(C)NC;WPOPMOOBZQNIDF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75053;MM75053;CCC(C=CF)(CN)CF;AGCNVCSBNBCKQP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75054;MM75054;C=NNC(C=NN)=NOC;KUEQBRCHTYGHGY-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75055;MM75055;N#CCN(C=NO)CCF;JWDJOENDKSCZGO-UHFFFAOYSA-N;145.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75056;MM75056;C#CC(O)C(F)CCNC;LLCFINQXOULRIB-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75057;MM75057;C=CCC(C#CCO)CN;NDCNPWIFFGFMRF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75058;MM75058;CN(N)C(=O)N(C)C=NN;OFTDWIIHECDSQM-UHFFFAOYSA-N;145.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75059;MM75059;C=NNCC(C=O)=CC#N;JJCZRIPZQRWTKG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75060;MM75060;C#CCN(C=NO)CCF;GWZLCKHHUNQDRQ-UHFFFAOYSA-N;144.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75061;MM75061;C=CC(C=CC)(CN)CN;BFRATQFKUANULN-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75062;MM75062;CC=CN=C(N)C(=O)C=O;IJYOCNHRLZQNIG-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75063;MM75063;C=CC(CN)(CN)C(=C)C;GSUUOVZCOFRSHO-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75064;MM75064;CNN=CC(C)F;OEBSPTRNBLIHDN-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75065;MM75065;CCCCC=NO;YUKIAUPQUWVLBK-UHFFFAOYSA-N;101.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75066;MM75066;N#CCC(C=NO)CC=O;VTRSNLMKDKGUOY-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75067;MM75067;C=C(C)N=C(C)NC(C)=O;XYBARCUVFWHVNW-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75068;MM75068;C=NNC(C=NO)CC#N;BQRVPRUYUWRARO-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75069;MM75069;C=NOC(C=NO)CC#N;ZTMOEEHGHFBDSG-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75070;MM75070;C=C(CN)CCC(N)CF;ZXKJLHNKDBMRPJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75071;MM75071;CN(N)C(=O)NC=O;HYUPDSKMWXQUMZ-UHFFFAOYSA-N;117.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75072;MM75072;N#CCN(C=NO)CC=O;NPKLTKPCHNSLIS-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75073;MM75073;C=NNC(=O)N(C)C=NC;MZMOIOYGHSBFBT-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75074;MM75074;C=CC(=CC(N)C=C)CN;FGRLFQLUKQROJE-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75075;MM75075;C=C(C)C#CC(CN)CN;KKPVWOXAZLTCPT-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15432;MM15432;C#CCC(C=NO)CC=C;JNJIVKXXPDQWPQ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75076;MM75076;C#CCN(C=NO)CC#N;USQXYEVCXOWOFY-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75077;MM75077;C=C(C)C(=O)NC=NCC;DEEXEMFDJADFOK-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75078;MM75078;C=CC(N)C(=C)C(=C)CN;DGEBPYCEPOSZBJ-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75079;MM75079;C#CC(O)C(=O)CON=C;LGIBBNKKVQJEQQ-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75080;MM75080;C#CCN(C=NO)CC#C;BHOFLCSUGGMJLJ-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75081;MM75081;C#CCNC(C)CNCC;AHZTXABCAHQYOK-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75082;MM75082;N#CCNC(=N)C=CCF;JCGWJHCEHZYAFI-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75083;MM75083;C#CC(NN=C)C(=O)C=O;KACXOZMHMUZRHW-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75084;MM75084;C=CCC(C#CC)NC=O;BOIDRSGWYSINJP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75085;MM75085;CNC(C)C(C)NCCF;MYVAEHITZMTNBR-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75086;MM75086;CC#CC(CC#N)NC=O;FZRQEGVPSYHVAV-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75087;MM75087;C=C(CC)C(C)NCCN;FWEGXVXCNASIBN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75088;MM75088;CCNNC(=N)C(C)OC;HJELPWAPMNTLLD-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75089;MM75089;CC=NNC(=NOC)NO;ZQOOFMLCDFBZBZ-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75090;MM75090;COCC(C=NN)C=NO;RZVZYJGLNZXUED-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75091;MM75091;CNC(C)COCCC#N;NGQIUQCOVSQLRQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75092;MM75092;CNCC=COC(C)CN;IYFMVQIZMUYSGS-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75093;MM75093;CCC(O)(C=NN)CF;WGFZHLJMUUYMDK-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75094;MM75094;C=C(C)C(O)C#CC=NN;KJDKFRGKAKQWRW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75095;MM75095;C=CC=CC(C)NNC=O;WDMDPRFIJJNAIK-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75096;MM75096;CCC(O)C#CC=NNC;QESFQGAIIAKSPR-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75097;MM75097;CC=NN(C=NO)CCO;SZWCNYSZNGLLPY-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75098;MM75098;C#CCC(O)C(C)=NNC;JEIGSBPMSIDFNR-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75099;MM75099;C=NN=C(CO)N(C)N=C;VYUQDKDLRIZCNX-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75100;MM75100;CCON(C=NN)C=NO;PKYCYLNAYJKMJI-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75101;MM75101;CCON(C=NO)C=NO;WVYPVUAMWHWPAQ-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75102;MM75102;CC=CC(C=NO)CC=O;DZTGMIDPOKGNOK-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75103;MM75103;O=CCC(C=NO)C=NO;NMAUTRWGZXFGHK-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75104;MM75104;C=CC(C)=C(C=C)CNC;WPFNBXPWQQWLFS-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75105;MM75105;CC=NOC(C)(C=O)CO;RSQAXRSEBAYNCN-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75106;MM75106;CC=CC(C=NO)NC=O;XYWWTACHZBULLZ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75107;MM75107;CCN(C=CC#N)NC=N;KFDFEIDRURHYNR-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75108;MM75108;C=COC(C=NO)C=NO;FNLULEKFWAKFGO-UHFFFAOYSA-N;144.13;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75109;MM75109;CC(C)C(C#CCO)CN;UDCNMLFXCQEWHV-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75110;MM75110;NN=CC(C=NO)OC=O;BLUGPIJGYMLUAT-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75111;MM75111;O=COC(C=NO)C=NO;RCKSZHBHKGXLRX-UHFFFAOYSA-N;146.1;-0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75112;MM75112;NCC(C#CCF)C=CF;ROEANYBRGSOZFU-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75113;MM75113;CC=CN(C=NO)CC=O;YWBDVEIIIHRLJS-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75114;MM75114;CC=CN(C=NO)CC#N;CQTBGGIHHLVATR-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75115;MM75115;NCCC#CCO;YWRGDVSXKHWBKK-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75116;MM75116;CC(C)(F)C(O)CCN;AREWKMIEZYRUIY-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75117;MM75117;C#CC(C(=O)C#N)N(C)C;AHTGLFPMNUOCQF-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75118;MM75118;N#CCN(C=NO)C=NO;NIOTZDUNJRTNQT-UHFFFAOYSA-N;142.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75119;MM75119;CC=NN(C=NO)CC#N;LYBUQNFUYCIJPP-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75120;MM75120;C=CC(=CC=NN)CNC;SALGATLVXWNJLS-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75121;MM75121;C#CC(=C)C(O)C(C)NC;UMBPWGKXSOFAOP-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75122;MM75122;C#CCN(C=NN)C=NO;YUIRUHQMWHESEK-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75123;MM75123;C#CCN(C=NO)C=NO;BBXMATWDBZIDJU-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75124;MM75124;C=CC(C=CCNC)=NN;SDIMBMWYOMQHEV-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75125;MM75125;CON=CC(C)(CO)CO;LJBIWZYEGLREOP-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75126;MM75126;NN=CC(C=NO)C=NO;ZVFPPVOSIYNJTQ-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75127;MM75127;NN=CN(C=CF)C=NO;JMIUDBLHSANGPB-UHFFFAOYSA-N;146.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75128;MM75128;C#CCCNCCNCC;ZXCJTMGDPQQLSE-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75129;MM75129;NN=CN(C=NO)C=NO;MMBFRIQTRMEIHO-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75130;MM75130;CC(F)=CC(C)N;FIBUKYUQWJWCDG-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75131;MM75131;CC=NN(C=NC)C=NO;HLMJBXSABVOVML-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75132;MM75132;COCOC(=O)C(=N)NO;UQBYPQSVDQAZPC-UHFFFAOYSA-N;148.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75133;MM75133;OCC=C(CCO)CCF;NYLBKVZQQWGWDO-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75134;MM75134;NCC(N)CCF;OJGSZLAOKBCAIQ-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75135;MM75135;COC=C(CCO)CCO;LKJARVXGQXXPJA-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75136;MM75136;C=CC(CF)NN=CCO;DLHDGRBDTCHNAE-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75137;MM75137;COC=C(CCO)COC;MULYLQSMBHFZBQ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75138;MM75138;CC1(CN)CC1N;LLLJACJGKLGJDX-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75139;MM75139;COCC(=CCO)COC;ZEXSMAFZHOJMPD-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75140;MM75140;COC=C(COC)COC;PKXPEQXQDRBISD-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75141;MM75141;CNC(CN)CN;HHYMYDOVIYPHEW-UHFFFAOYSA-N;103.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75142;MM75142;CC=NOC(C)OCCO;FEVBKQUKPHKHMC-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75143;MM75143;COC(C)(C)C(C)N;AHSFBCVORJGQNR-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75144;MM75144;C=C(F)C(C)(C)CN;LANZRYMTOXQMAH-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75145;MM75145;CC(F)CC(N)CN;RVSZYHYVBODDLM-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75146;MM75146;CNC(C)CC(F)F;IPTIEROLBCRMLJ-UHFFFAOYSA-N;123.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75147;MM75147;CC#CCN(N)C(=O)NC;GYDCGFKKTJXYEX-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75148;MM75148;CC=CCC(O)C(=N)NN;RHXKKFAUXNDGRN-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75149;MM75149;CCCC(F)C(O)CCN;QCFFKVWWGOIMGX-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75150;MM75150;CC#CCN(N)C(N)=O;RYNDFAMYHBLHEA-UHFFFAOYSA-N;127.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75151;MM75151;CCOC(=CCO)CCO;VMRAYIBFXKLGHK-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75152;MM75152;CCNCCC(F)F;LYBBGKGUVGLYHL-UHFFFAOYSA-N;123.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75153;MM75153;CCOC(=CCO)COC;MMPFSQLMDKYSAA-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75154;MM75154;CC=NN(CC#N)CCO;FTGHXXZDJSDHBV-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75155;MM75155;CCC#CCN(N)C(N)=O;IAGZXLATMYKTFD-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75156;MM75156;CNC(=CC#N)NCCO;KIYCXZOSLFXFBI-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75157;MM75157;CCN=C(N)C(=O)C(C)=O;PJCLQIYLKJYVPF-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75158;MM75158;CNN=CC(C=O)CF;QJJJUHQMNQTVPM-UHFFFAOYSA-N;132.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75159;MM75159;CC(C)C(F)C(O)CCN;MWKNJWMPWGFGQP-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75160;MM75160;C=C(C)C(O)C(N)CC;DFZJMOKRTITIPS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75161;MM75161;C=NNC=NC(=N)C(C)=O;FTOKBFDDCCLTOT-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75162;MM75162;CCNCC=C(C)C;FGNBUQWVCCHAPU-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75163;MM75163;C#CCC(N)CC#C;POLQVYHRUZUNIZ-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75164;MM75164;COCC(=CC=O)CCO;YITZXLLNWSMOHH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75165;MM75165;COCC(N)C(C)C;PVNWTJLUPPXWDT-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75166;MM75166;COCC(=CC=O)COC;NOMGTWZSUSIZFI-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75167;MM75167;COCC(=CC#N)COC;RQVWPGJENZLJMF-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75168;MM75168;C=CC(C)(CN)CF;IYEJYYDTGAOJRB-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75169;MM75169;C=NN=C(CCO)COC;BVEYHDAOLKIQNK-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75170;MM75170;CNC(C)C(N)CF;AKOISDQEZRKCIH-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75171;MM75171;CCNC(=CC=O)CCO;LDNLAVSBRSJDRR-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75172;MM75172;C=NNC=NC(C=O)=NC;XOZBRFYNOMQREK-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75173;MM75173;CCC(N)C(C)OC;AUEYFDBDVYGKEF-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75174;MM75174;CCCC(=NNC)NC=O;IEUFGPQKCJTRQY-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75175;MM75175;NN=CNN=C(CF)CF;HJMBXITZHSOGIQ-UHFFFAOYSA-N;150.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75176;MM75176;CNN=C(CCO)NC=O;VJLZOUFLLWMQTL-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75177;MM75177;C=CC#CC=NNC=NN;ZGIQVHBAAYNKSQ-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75178;MM75178;CNCCC(F)C(C)(C)O;QRIRLQFOLXRXDL-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75179;MM75179;C=NNCC(C#N)=CC=O;ASAUZWCGSRRLSP-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75180;MM75180;C#CC(C=O)C(C)=NNC;UETXMSOUICSYLA-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75181;MM75181;CNCC(F)=CC(C)N;VSGHFYJJSUNGCG-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75182;MM75182;CNN=C(COC)NC=O;XAIDZEGUENQXKB-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75183;MM75183;C=COC(C)C(O)CCN;RIDZNLCFCBUEHK-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75184;MM75184;COCC(=NOC)NC=O;GITXMGVIPFGKKA-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75185;MM75185;CC(F)C(C)(CN)CN;STJKKDDOZKPTLE-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75186;MM75186;C=NN(C)C=NOC=NN;UIFANVGCDCBKBX-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75187;MM75187;CC(F)C=NN;REYBUMXQGBGJAP-UHFFFAOYSA-N;90.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75188;MM75188;CNCCC(F)C(C)O;WUELYGFXDSEDPQ-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75189;MM75189;CCC(F)CC(N)CN;ABPQUIDMGCRXMY-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75190;MM75190;COC=C(CC#N)CCO;NPOQSXMDDAOBBL-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75191;MM75191;C=C(OCC)N(C)C=N;GZAIUHPXFUTPAU-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75192;MM75192;CC(C)C(N)CC(O)CO;ILWLFXLCRZOSFO-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75193;MM75193;COCC(=CCO)CC=O;HKKJBYGMUUGRKZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75194;MM75194;COC=C(CC#N)COC;FYEGDCLTBBCRGL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75195;MM75195;C#CCOC=CNC=NO;MRVVEJCCRKHERH-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75196;MM75196;C#CCC(=C)C(O)CNC;JZZQWZFURBPBED-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75197;MM75197;C=CC(C)(O)C#CC=NN;MZEMXZKTFTZFDU-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75198;MM75198;C=CC=C(C=O)C(=N)N;YDAVJCMOWOAZQP-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75199;MM75199;CNCC(O)C(C)=C(C)C;UYXLNEQEKATUAW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75200;MM75200;CC=C(C)C(O)CNC;DMWACYDVXMBCOZ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02787;MM02787;COCC(CC#N)=NOC;QLZZYEJJUDZTKF-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75201;MM75201;C=NNCC(=O)C(=O)C=O;KRZYEWWUUGRDDV-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75202;MM75202;C=NN=CC(O)C=NN;ASDCUTMWBVFFGX-UHFFFAOYSA-N;128.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75203;MM75203;C=C(CCF)C(O)CNC;VPNVIDDFZPMVEF-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75204;MM75204;CCC(CN)(CN)CF;YLANVSVWBHUSIT-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75205;MM75205;C=CC(CC)(CN)CF;FBAYFTBSIUBQQO-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75206;MM75206;C=CC(CF)C(N)CN;YUOJKCHECCVTGL-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75207;MM75207;COC=C(COC)NC=O;MQQIGUXFALMWIZ-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75208;MM75208;C#CC(C#C)C(O)CCN;FRSISKNJCLXPQX-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75209;MM75209;CC(C)C(=NN)C(O)CO;TUYOZXPIMCKFTM-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75210;MM75210;C=CCNC(CC)CN;NCFOPOHEDKNOFW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75211;MM75211;C=CC(CC)NCCN;CVUMVZHNIXFXIH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75212;MM75212;C=CN(C=N)C=COC;KLFCKVUWAOVESB-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75213;MM75213;C=COC(=CCO)CCO;UZYUAWWRAOHTSR-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75214;MM75214;C=CC#CC(CN)CN;BXPLMKPEFBCUGK-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75215;MM75215;C=C(CC)CNNC=O;MRKBMBJTGKTOLY-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75216;MM75216;COC(C)(C)CC(N)CN;OEMZPEWRORBIOG-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75217;MM75217;C=COC(=CCO)COC;IBQWKKKLUUYXQD-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75218;MM75218;COC=C(COC)OC=O;LVHHFENLJCRQCL-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75219;MM75219;C=C(C)C(O)CNC;IFZVBWKKMWZUGA-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75220;MM75220;C#CC(N)C(C)(C)NCC;QLYZKSVUNLOHSH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75221;MM75221;CC=C(C)CNNC=O;GUHBZUPSTQBSIC-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75222;MM75222;COCOC(C)(C)C(C)N;IIIHRJFNPZLDDG-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75223;MM75223;CC(F)=CC(N)C=CCN;RGRPPCICARWGMS-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75224;MM75224;C=NNC(=CC=O)NC=O;DOZUZJOAXKEIMA-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75225;MM75225;CCNCC(F)=CC(C)N;SGRPQJPDYYPLMI-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75226;MM75226;CCC(C)(N)C(O)CCO;SEHWZYLWRHXVEG-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75227;MM75227;CCC(CN)C(F)CO;BVLNUJUWESJWPS-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75228;MM75228;C=CCC(N)C(O)C(C)C;QTRRKXIAOPINTK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75229;MM75229;CON=C(CC#N)NOC;XATXCJOCUGTPSV-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75230;MM75230;CNC(CN)C(C)(C)OC;UGXWXNWXZSFFKU-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75231;MM75231;C#CC(F)C(O)CC=NN;GKKDMQBZNZTFAZ-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75232;MM75232;C#CC(C)(C)C(O)CCN;MZXGETDSVFQVAO-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75233;MM75233;CCCOCC(O)CCN;IZCWSJYHXFNCNR-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75234;MM75234;CC(CO)=NN=CCCN;PIHRTLYLHSNJBJ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75235;MM75235;C#CC(C)=CC(O)CNC;GHVPABHYNQAKGT-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75236;MM75236;C#CC(C#C)(CO)CCN;BLSMMOKOZARZAO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75237;MM75237;C#CC=CC(O)CNC;NNBLCSMTOJTIIF-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75238;MM75238;C=C(F)C=CC(O)CNC;CZUWBQREURMSHV-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75239;MM75239;CNN=CC#CC(C)(C)O;XBDLTMOAMLZILT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75240;MM75240;CCOC(=CCO)CC=O;VERDIDIDWYWALT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02784;MM02784;CCOC(CC#N)=NOC;ZECJEDIGJJJZDI-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75241;MM75241;CNCC=CC(C)(N)CF;NHYVOEVQMDTPOE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75242;MM75242;CCOC(=COC)NC=O;MXTFVMXUNKEXBU-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75243;MM75243;CCN=C(NC=O)OCC;OHGWKDDKLLDPSN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75244;MM75244;C#CC(C)(N)C=CCNC;NZVBCFDDMXTRQK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75245;MM75245;N#CCC(=CC=O)CCO;FMSHYJMFZNKEEX-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75246;MM75246;C#CCC(N)(CN)CC=C;ZAEKTQGXHZAMBO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75247;MM75247;C=NN=C(CC#N)CCO;JPJYSRZKZFXLEF-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75248;MM75248;CNCC(O)C=C(C)CF;STCMDQXVJRQRIQ-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75249;MM75249;C=CC(C)=CC(O)CNC;BMENTBJSOYQIQF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75250;MM75250;N#CC=C(CCF)NC=O;SCPVEZTXOPSEST-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75251;MM75251;C#CC#CCC(O)CNC;JHRVTSRPFXSBSK-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75252;MM75252;CC(C)C(F)CC(N)CN;KLQYYBBSLLYRPQ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75253;MM75253;CNCC(O)C=CCF;SJXREOGZORHJDT-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75254;MM75254;C#CC(ON=C)C(C)=O;YXZJOOZPTUEGAW-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75255;MM75255;CC(=O)N(C)CC(C)CN;KFHYQDALRHYQGI-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75256;MM75256;COCC(=CC#N)NC=O;PFKJKQNDCKRJPY-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75257;MM75257;CNN=CC(C)=C(F)CO;RUCRUAQGGGHNDD-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75258;MM75258;CC(C=NOC(N)=O)=NN;RALVWBJEBFLCCI-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75259;MM75259;CCCC(F)CC(N)CN;NMMKHMDMHVOHDZ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75260;MM75260;C=CN=C(CCF)NC=O;QKMZPJNFPXJCGX-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75261;MM75261;C=CC=CC(O)CNC;GOAXUJNRGWIRBM-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75262;MM75262;CC=NN(C)C(C#N)CO;WLAWEKJYAYVJRN-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75263;MM75263;C=NN=C(CCO)NC=O;QANDJRHHVWQCKY-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75264;MM75264;CC(C)=CC(=N)N(C)C=N;TZRXXUDZWJAFHY-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75265;MM75265;COCC(=NC=O)NC=O;ISVLWTDIWCLPBO-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75266;MM75266;C=NOCOC(=O)NC;KFUQSTMEFNAMKY-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75267;MM75267;C#CC(N)C(F)=CC(C)N;XLHWAXDIRNLOJH-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75268;MM75268;COCC(=CC#N)OC=O;IRVQSQISSZCTBU-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75269;MM75269;C=NN=C(CCO)OC=O;KLEFQOLONPNSSV-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75270;MM75270;CC(N)C=C(CF)OC=O;RBLSKCWZCYNQPD-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75271;MM75271;CNCC=CC(F)CNC;DBRZUXDBBRBVGJ-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75272;MM75272;C=CCNCC(C)=CCN;ZBKLKFXNUIXNTN-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75273;MM75273;CCN=C(CC#N)NC=O;KEDQFVPYKVDLAS-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75274;MM75274;CC(F)CN(C)N=CCO;HPIHNFPZTOTAIJ-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75275;MM75275;C=CCC(=NNC)NC=O;FZQFPUDFIUCQAA-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75276;MM75276;COC(C=NN)=CC(C)O;IHQGXOWVROHZKD-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75277;MM75277;CC(C=NNCC#N)CO;NLOWPPHLWXRJIT-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75278;MM75278;CNN=C(CC=O)NC=O;SFJKSVPKZZZKJJ-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75279;MM75279;CNN=C(CC#N)NC=O;PZBZMKWENDQXHS-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75280;MM75280;CC=NN(C=NN)CCO;DVZLDYDATXVBER-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75281;MM75281;CCC(F)CC(O)C(C)N;RFYOYYABOGOOSI-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75282;MM75282;C=C(CNC)C(N)CCF;FBELHKXQWUCFIP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75283;MM75283;C=NNC=NC(C=O)CF;YVUIGZIOIQGUGX-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75284;MM75284;CC=CC(O)CNC;IHANYBVKBXQIME-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75285;MM75285;CCNC(=CC=O)NC=O;FKAWUKRMPAMOFR-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75286;MM75286;C#CC(C=C)C(O)CCN;JEYFZAZMRWUNBF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75287;MM75287;C#CC(=O)C(=O)C(N)=NC;PCNROGCTXNGYSH-UHFFFAOYSA-N;138.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75288;MM75288;C=CC(O)CNC;PHGTVCXSHPAJLN-UHFFFAOYSA-N;101.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75289;MM75289;C=CC(O)C(CN)C(C)C;VBPQONJIEZJSLC-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75290;MM75290;C=CC(O)C(CC)CN;AZJRBYOIRUZWMU-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75291;MM75291;CONC(=NC=O)NC=O;HHJCTENQAVFFEM-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75292;MM75292;C=NN=C(NC=O)NOC;JAGDZZFWEPKVMU-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75293;MM75293;CC(O)C=NN=CCCN;SDAHUIFVRPPXCQ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75294;MM75294;CC(C#CCC(C)O)=NN;HAHTVMYYHPEWQJ-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75295;MM75295;CCOC(C)C(=N)NNC;LUOWCTSBZUCXRP-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75296;MM75296;CCOC(=CC=O)NC=O;IUTVKKNZTIELAN-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75297;MM75297;CCOC(=CC#N)NC=O;FVAYNHRJTXCEME-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75298;MM75298;CC=NOCCC(=O)C=O;DRCHRMJMWRLJSC-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75299;MM75299;CC(N)C(N)CC#CCF;BARRUUBVSSUWEE-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75300;MM75300;C=C(CC)C(C)(CN)NC;YBNZSBBVRRVTSZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75301;MM75301;C#CC=C(CCO)OC=O;NIUYBVBXXRPIAA-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75302;MM75302;CC=C(C)C(C)(CN)NC;DKUQVTKFERYKAR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75303;MM75303;C#CC(F)(C=O)CCNC;GGCBVTDEACUMEH-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75304;MM75304;C=C(CC)CNC(C)CN;FRNPCEUPJNMFEI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75305;MM75305;C#CCC(=CCO)CCO;MVPCYFDIYJXQCQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75306;MM75306;CCC(CC(N)CN)OC;XBBYORKEFUBBKZ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75307;MM75307;CN(C=NN)N=CCCF;OJZPPUSDZMWSEF-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75308;MM75308;CC#CC(C)C(O)CCN;AZXKXRXMQGSPHC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75309;MM75309;C=NOC(CC)=NNC;NDFBRIFKVRJVEJ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75310;MM75310;COC=C(CC#N)CC#N;BQRVLJLTZBHWAP-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75311;MM75311;CCOC(C=CN)=NN;RWUPMTWEVICSGG-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75312;MM75312;C=NN=COC(=N)NN=C;GQRWAAWIPZPOMT-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75313;MM75313;C#CC=NNCCC(C)=O;VTUHJMQMCRZTAO-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75314;MM75314;C#CC(C)C(O)CCN;YEGDOFSVPLCNLF-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75315;MM75315;CC(CF)CC(O)C(C)N;RQQYUUNTNBZGCJ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75316;MM75316;C#CC(=C)N(C)C=NO;WLNHRYUURNFLMK-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75317;MM75317;COC=C(CC=O)NC=O;DQKRYOLADBHBPC-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75318;MM75318;COC=C(CC#N)NC=O;ZAEUUXNEHKLSMM-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75319;MM75319;C#CC(C#C)C(O)C=NN;OWWKAXBAEKLLCV-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75320;MM75320;CCCC(O)C(C)N;TXRCHGMTTXKTPE-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75321;MM75321;CCON=C(NO)C(C)O;GUXRTVMDFXWXTE-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75322;MM75322;C=COC(=CCO)CC#N;WGDVMGRKCROVJH-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75323;MM75323;O=CCC(=CCO)OC=O;HDIDYGBFBYPJMB-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75324;MM75324;COC=C(CC=O)OC=O;KCCYWBQAMAUGHN-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75325;MM75325;COC=C(CC#N)OC=O;UVMUWLXMCLKSBJ-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75326;MM75326;CNN=C(CC=O)OC=O;KMQATSKKZOZMNZ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75327;MM75327;CNN=C(CC#N)OC=O;HKGJVRZLRJQIKZ-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75328;MM75328;C#CC(C)(CO)ON=CC;YESWRHWOGOETSN-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75329;MM75329;CC(N)C(O)CCCCF;LUVAWIGQQZSHMF-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75330;MM75330;CCC(O)C(C)N;JPGZDACJIPHKML-UHFFFAOYSA-N;103.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75331;MM75331;CCC=C(NC=O)NC=O;AHBSOKSLVPKUNE-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75332;MM75332;C#CC(CC(N)C=C)OC;GSALLXHPFVXDSB-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75333;MM75333;CON=C(CO)NO;NLEZELVTEAZHCR-UHFFFAOYSA-N;120.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75334;MM75334;C=CC(N)C(N)C(C)CC;KRXVTYRYVSMEIS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75335;MM75335;CNC=NC(CO)COC;LSAFARBGRQJLEE-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75336;MM75336;C=CC(=NN)C(F)CO;RZQGLKFBYSTNBI-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75337;MM75337;C#CC(=N)N(N)C(=O)NC;GONSMVSTOAEDRR-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75338;MM75338;C=NOC(C=CF)CO;WORUQKBWHSMGOF-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75339;MM75339;CNC(C)C(C)N(C)C=O;JKPOIGRULDUZSD-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75340;MM75340;C=NN=C(NC)NC(C)=N;IXVVZGBTFKVKCF-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75341;MM75341;CC(C)N=C(NN)NO;UBTBRSRTVKCRRO-UHFFFAOYSA-N;132.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75342;MM75342;C=CC(=NN)OC(C)CO;IZFUYVOAYYUWRB-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75343;MM75343;C=CC(C=C)C(O)CCN;QCKAQHSEVATWQU-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75344;MM75344;CCN(O)C=NOC;BVCNQPMQQZWDQY-UHFFFAOYSA-N;118.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75345;MM75345;CON=CC(CO)CO;UFLFZFLLYUUUHW-UHFFFAOYSA-N;133.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75346;MM75346;C#CC(CC(C)(C)O)=NN;PVSVGFYVQOGDFH-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75347;MM75347;C=NNC(=NOC)NC=O;JAGDZZFWEPKVMU-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75348;MM75348;C=CNC(C#N)=NCCO;JAXGRPDMTJKFKH-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75349;MM75349;O=CNC(=CCO)OC=O;MXAFNAPZVATPTB-UHFFFAOYSA-N;145.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75350;MM75350;C=COC(=COC)NC=O;KLQRYPGCKSFBBP-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75351;MM75351;C=NOCC(C#N)=CCO;GFFMUXXOLBVSCX-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75352;MM75352;CNN=C(NC=O)OC=O;NQRJDLOSCPBKKH-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75353;MM75353;C#CCNC(C)C(C)NC;OBRIUZMBXJADFY-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75354;MM75354;C=C(C)C(C)C(O)CCN;RZFFMLZMQHSXRG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75355;MM75355;C=CC#CCC(O)CCN;ZPIYJCIHOOUGLU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75356;MM75356;C=NOC(=NNC)NC=O;BEUXULCPVVDATK-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75357;MM75357;NCCC=NN=CCO;RRANJCQDHUKUOX-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75358;MM75358;C=NOC(=NOC)NC=O;QNPLDZUKVHLAID-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75359;MM75359;CC(C#CC(C)CO)=NN;UVLGKSIUDZWNED-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75360;MM75360;CC(=O)CON=C(C)C;OTBWLHDSVHJRFL-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75361;MM75361;C#CC(C=C)=NNC=NN;WZKMRIZGLCFDQR-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75362;MM75362;C#CCC(O)CCN;VVVAIYAOAOPWIY-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75363;MM75363;C#CC(N)C(C)C=CCN;LWGKAWKTVJKPFA-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75364;MM75364;C=CCC(=CC#N)CC#N;RXAHGFSKSPVDMN-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75365;MM75365;N#CCC(=CC=O)CC#N;HBSWHDKGPJDOOC-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75366;MM75366;C=NNC(=N)OC=NOC;SCZJNBYFIMHXNY-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75367;MM75367;CN(C=N)C(=O)C=NN;WYMZYJPXYGQPOP-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75368;MM75368;O=CC=C(CC=O)NC=O;UQFACRARDMAIDB-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75369;MM75369;N#CCC(=CC=O)NC=O;FCYXUVLSUFFRNU-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75370;MM75370;N#CC=C(CC=O)NC=O;ICEWOFUBVPLARN-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75371;MM75371;N#CC=C(CC#N)NC=O;XZLRPISMMAYDJC-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75372;MM75372;CC(=O)N(C=N)N=CN;RCCYUKBNJGRRJV-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75373;MM75373;C=CC(=C)CC(N)C(C)O;SDHXYGYLWVIJMP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75374;MM75374;CCC(C=O)CC(=N)NO;HPSUHGWOEPTKHM-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75375;MM75375;O=CCC(=NC=O)NC=O;NWKYXTZDFGDIFT-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75376;MM75376;C=CC(CN)C(=CF)CO;IIZQSGMIBYQKCS-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75377;MM75377;C=NN=C(CC#N)NC=O;KPBBLRPYDWKOFC-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75378;MM75378;N#CCC(=CC=O)OC=O;HIDGHOBXOQCAAG-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75379;MM75379;C=CCCNCC(=C)CN;RDPNVIVYEJPYSV-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75380;MM75380;C#CC(=CC#N)CNN=C;IQWIVUDWAFNRDY-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75381;MM75381;C=CC=C(NC=O)NC=O;UDEPRUXXLNCSBQ-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75382;MM75382;N#CC=C(NC=O)NC=O;PSSCLYJTHLECGI-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75383;MM75383;C#CC(N)=C(F)C=NOC;POHAWRYPMLQOFY-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75384;MM75384;CC(C)(O)C(CN)CCF;AADNOFYFCCZBNG-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75385;MM75385;C=NN(C)C(=NO)N(C)O;IPORLUGKVHQVGS-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75386;MM75386;C=NNC(C#N)C(=O)CC;WHJQBQSYYPYHLO-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75387;MM75387;CC(=NN(C)C)C(C)C#N;NTCAEXHAWMRUPR-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75388;MM75388;CN=CNC=O;CDOCHJBVAWVREA-UHFFFAOYSA-N;86.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75389;MM75389;CC(C)NN=CC(O)C=O;PMWDZRMSLXWBBZ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75390;MM75390;O=CN=C(NC=O)NC=O;LFNSJNLKZFWXDU-UHFFFAOYSA-N;143.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75391;MM75391;N=C(N)C(F)(F)CO;BNCHUKHZFCZZFS-UHFFFAOYSA-N;124.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75392;MM75392;C=C(F)CC(O)CCN;ZAHVNYFONUTSMY-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75393;MM75393;CC(C)CN(N)C(=O)CO;STGLKLLHUWAHRU-UHFFFAOYSA-N;146.19;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75394;MM75394;C=NN=C(NC=O)NC=O;VHJWYGMYFHBTMZ-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75395;MM75395;C=C(NC=N)OCCO;IVVOUWADRSYVDB-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75396;MM75396;C#CC(O)CC=NOC;WAVMHHUONQQJKZ-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75397;MM75397;C=NNC(=NC=O)NC=O;VHJWYGMYFHBTMZ-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75398;MM75398;CC=NOC(CO)OCC;GHBXNOVKZFYEBQ-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15411;MM15411;C=NNC(=NC=O)NN=C;SACWIQUKIXDNOU-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75399;MM75399;C=NN=CCC(O)CCN;OQNVDVTXISHOOJ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75400;MM75400;CC=CCNNC(=N)CN;ZWUYAPFDJARPQL-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75401;MM75401;C=COC(=CC=O)NC=O;PDEWPXRHYHLOIY-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75402;MM75402;C=COC(=CC#N)NC=O;SWWZSGKMQOYWLD-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75403;MM75403;CC(C)(F)CC(O)CCN;DREMASUFAANWNR-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75404;MM75404;CC=NN(C)C(CO)=NN;PIVNTAPCRBARCP-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75405;MM75405;C=NN=C(NC=O)OC=O;OWFVBQLHUAWLSM-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75406;MM75406;C=C(C)C(CO)=NOC;YISJYZLERQAIRR-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75407;MM75407;CCC(CNC)OCCO;ORERSEAEJLSFOE-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75408;MM75408;C=C(CC(CO)=NN)OC;VMYMAQPFMCILFP-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75409;MM75409;CCCC(N)CO;ULAXUFGARZZKTK-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75410;MM75410;C=CC(NCC)C(C)NC;ODNUIIOLJAHBPU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75411;MM75411;CCCCC(N)CO;DPEOTCPCYHSVTC-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75412;MM75412;C#CC=C(CC#N)NC=O;XVKYBZYRJBBGES-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75413;MM75413;C#CC=C(CC#N)OC=C;ANKVKDLCZPVFIC-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75414;MM75414;C#CC=C(CC#N)OC=O;PTORLLKASNNIGL-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75415;MM75415;C=CCC(NC)C(=C)CN;JIOTZNGLJPGOKU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75416;MM75416;C#CC=C(NC=O)OC=C;MVIGHQWXORWPIL-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75417;MM75417;C#CC=C(NC=O)OC=O;JJXSFQJLIVJJSQ-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75418;MM75418;CNN=CNN=C(C)CO;FWGFWXIVJJINDW-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75419;MM75419;CC=CC(CF)C(N)CN;LOPDHEQALBVKNX-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75420;MM75420;C#CCC(=COC)NC=O;ABGWJBLJUIVKKY-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75421;MM75421;CN(CC=O)N=CCO;IJFVYOSPRDUJOE-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75422;MM75422;C=CC(NCC#N)C(C)=O;IPOIVAUHBLBBBX-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75423;MM75423;C#CCC(=CC=O)NC=O;NKIABDLBTBXAFD-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75424;MM75424;C#CCC(=CC#N)NC=O;NSPMUSKOFRCJJS-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75425;MM75425;C=C(C)C(C=NNC)CN;QYOPUEDSHGYCGD-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75426;MM75426;C#CCC(=NC=C)NC=O;KNADEFHNVKJAAH-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75427;MM75427;C#CCC(=NC=O)NC=O;LGNKTSZXGACNHD-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75428;MM75428;CC(F)CC(O)CCN;UFBVRFXOKWPART-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75429;MM75429;C#CC(CN)C(C=C)OC;VHQUJKIRILDHHX-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75430;MM75430;C=NNC(CC#N)C(N)=O;JUMZIVCKQQRHMC-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75431;MM75431;C=CC#CCN(N)C(N)=O;JZUKCABQQZDKSE-UHFFFAOYSA-N;139.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75432;MM75432;CC(F)CCC(N)CO;SCOFBLLIIIDVRH-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75433;MM75433;COC(C#CCCN)OC;DHJOCROWMSBDJF-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75434;MM75434;CCC(F)CC(O)CCN;OWLKVFQJYCQZKT-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75435;MM75435;C=CC(C#CCOC)CN;MDRRTTGQDAITOW-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75436;MM75436;C=CC(C#CCCN)=CF;VGZHDUJPGADDNE-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75437;MM75437;C=CC(CN)C(C)=NNC;WOSNGQHTSWOSEK-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75438;MM75438;CCNCCOC=NOC;BHTDNKISIUHWEV-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75439;MM75439;C=COCCCC(N)CO;MKPDRFZPFBNKMQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75440;MM75440;C#CC(=CNN=C)C(N)=O;VKRKPZHCIOYVLD-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75441;MM75441;C=CCNC;IOXXVNYDGIXMIP-UHFFFAOYSA-N;71.12;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75442;MM75442;N#CCC=NNCCCO;DPVQGTMNPYNJLH-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75443;MM75443;CON=CC(C)C=O;FZLLFLFIDYPFBH-UHFFFAOYSA-N;115.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75444;MM75444;CC(O)C=CC#CC=NN;JOYLSQSBBAFZED-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75445;MM75445;C=NNC=NOC(C)C=O;YCNYWQPPSDLMCB-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75446;MM75446;CON=C(C=NO)NOC;HXVJJQVNLFNTQZ-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75447;MM75447;CCOC(C=NO)=CCO;YBWZZLHLNSMQFH-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75448;MM75448;CC(N)C=CF;BROANTPMJFKWKT-UHFFFAOYSA-N;89.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75449;MM75449;CN(C=N)C=N;VZAHVSCGUMSECN-UHFFFAOYSA-N;85.11;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75450;MM75450;COCC(C=NO)=CC#N;MUHFUGWOTMQIPL-UHFFFAOYSA-N;140.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75451;MM75451;C=NOC(C=O)OCC;CCMOMSODTNSHHK-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75452;MM75452;C=NN=C(C=NO)CCO;RAWCAPDSXSDBIN-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75453;MM75453;COC=CC(C)N;MEPOQJSRPSRNRN-UHFFFAOYSA-N;101.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75454;MM75454;CNC(C)C=C(C)C;HVSXQVGSGDQGBT-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75455;MM75455;C=C(C)CC(O)CCN;OPJWFDMDDIRTGQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75456;MM75456;C=CC(CN)C(=C)CO;HYHDGLZNUHGAGW-UHFFFAOYSA-N;127.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75457;MM75457;CN=NC(=CNO)NC=O;XZCHJLMSGMTZRI-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75458;MM75458;COC=CCC(O)CCN;OKFGZNCAHOWJMH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75459;MM75459;COC(C)=CC(C)N;FJWKYIYEOODDAJ-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75460;MM75460;C=NNC(C=O)=CC=O;HZKVBPFHZMXDCD-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75461;MM75461;C=C(CO)C(C=CF)CN;YUMJOHAOVXKJEA-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75462;MM75462;NCCC(O)CC=CCF;YEXFVCVGUUMRBQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75463;MM75463;C=NNC(C=NO)=NOC;SWSRPSUDBFYMOY-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75464;MM75464;C=CCCC(O)CCN;NHESODMXAYJSCZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75465;MM75465;CC(CF)CC(O)CCN;WMPHOWABWLTUNS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75466;MM75466;C#CC=C(C=NO)CCO;ILKCMDNLPIHHIF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75467;MM75467;CC(N)C=COC=O;WSABPUBOPIVYJT-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75468;MM75468;C=NN(C)C(C=O)=NNC;BMIVPVNKOWKFMM-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75469;MM75469;CNN=C(NC)C(=O)OC;ILAHRXRFEVMIFX-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75470;MM75470;C=NNC=NOCC(C)=O;DRSSMUDZXDLHPB-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75471;MM75471;C=NNC(=NNC)OC;QLURHSJPHURJOQ-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75472;MM75472;C=CN(C=NNC)N=CC;BODJEOGKWVNZEX-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75473;MM75473;CNN=C(C=NO)CC#N;IJYABCZOWNPSDN-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75474;MM75474;CON=C(C=NO)CC=O;OZSYBZLJYSVZMU-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75475;MM75475;CON=C(C=NO)CC#N;WNMWYHVHAQGQPL-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75476;MM75476;CCC=C(C=NO)NC=O;VFTHSYORCSMXMO-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75477;MM75477;CC(N)C(C)N(C)C;VCRFEZWLBSZISX-UHFFFAOYSA-N;116.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75478;MM75478;CCCC(O)CCN;NNNLJNYYAWMTDI-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75479;MM75479;C=NNC(=NN)OCC;UVEHEYQSZBEOJO-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75480;MM75480;CNN=CC(=O)N(C)C=N;KSHVLYZFBDQFCN-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75481;MM75481;CC(CN)(CN)CF;NPEQKRMJZXURHS-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75482;MM75482;COC=C(C=NO)OC=O;IRNATXPIHMBNGV-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75483;MM75483;CC1C(C)C1(N)CN;VNIXNNUWGYFXOF-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75484;MM75484;C=CC1(N)C(C)C1C;CRAZQGKUVOFTJT-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75485;MM75485;C=COC(C=NO)=NNC;YXOYURCFNLSJES-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75486;MM75486;C=CCC(CN)C(C)O;LBYYJNHJTOEAQC-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75487;MM75487;COC(C=C(C)N)=NN;FKRJOPBPKPYMLE-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75488;MM75488;C=NNC(=N)C(F)=CNC;MVISGKSALSCFIS-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75489;MM75489;CC(N)C(C)(N)C=CF;YWXMOPLQNKOJJX-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75490;MM75490;CC(F)CCC(O)CCN;VPTHURFQVGCFLK-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75491;MM75491;C=NOC(C=NO)=NOC;NGQJJJVKHNGCBA-UHFFFAOYSA-N;145.12;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75492;MM75492;CC=CC(=CC#N)CC#N;JNFGKZQTFASVMN-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75493;MM75493;N#CCC(C=NO)=CC=O;ZXWSIPCHTGDVBV-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75494;MM75494;C=NN=C(C=NO)CC#N;RZHCPXJNXXVVJW-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75495;MM75495;C=NNC(C=NO)=CC#N;HOVOJZYGQVREOS-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75496;MM75496;C=NNCC=C(C#N)C=O;FRLHJVGFGSFEFU-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75497;MM75497;CC=NNCC#N;FKDHGKKZHZNJCR-UHFFFAOYSA-N;97.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75498;MM75498;C#CC(CC)NC(=N)C#N;DNZVPEQAVYRAMA-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75499;MM75499;NC=CC(=NC=O)NC=O;UBFHKGOZOIYYGK-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75500;MM75500;NCCC(O)CCCCF;OVCSTJWXLVKWKK-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75501;MM75501;C=NN=C(C=CN)NC=O;RGJTZMDLEBRAFB-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75502;MM75502;C=CN=C(C=NN)NC=O;ILQKTWJGFGDHAH-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75503;MM75503;CC(F)C=NN(C)C;LXRVPGVMNRMBHO-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75504;MM75504;CC(O)C(CN)C(C)CF;OBLUDSOTHQHFEM-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75505;MM75505;C=NNC(=NCC#N)NO;BPDNWUFJXOLGAB-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75506;MM75506;C=CNC(C=NO)=NN=C;SIJSKGOLBTXRFI-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75507;MM75507;CNN(C=O)C=NNC=O;HTVSUNGGUQKKTH-UHFFFAOYSA-N;144.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75508;MM75508;C=CC(=NO)N(C)CC#N;ZDWDDYOSVUCPGR-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75509;MM75509;C=NN=C(C=NN)NC=O;ABENJUNYGMPNLP-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75510;MM75510;C=NN=C(C=CN)OC=O;DITZITLOWNNFMO-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75511;MM75511;CC=CCC(CN)C(C)O;RVVGPUMIZUMGBV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75512;MM75512;C=NN=C(C=NO)ON=C;KLVUYJVGAVGNNB-UHFFFAOYSA-N;142.12;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75513;MM75513;CC(=O)OC=CC(C)N;LLWOLKCXYPOWDU-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75514;MM75514;CC(O)C(CN)CC=CF;GHMWCRZTZGPPLO-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75515;MM75515;C#CC=C(C=NO)NC=O;ZMRGSFSJDDFINZ-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75516;MM75516;C#CC=C(C=NO)OC=O;FBXMLKMKFKUPPJ-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75517;MM75517;C#CCC(C=NO)=CCO;ZCPGVTKFOZPXDN-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75518;MM75518;CC(N)C=C(F)C(C)N;SABBVJXOFFAUFW-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75519;MM75519;C#CCC(C=NO)=NNC;RMYIOVDQNCOHCB-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75520;MM75520;CC#CC(=CCO)CCO;FXEOKMJCCZPKTF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75521;MM75521;CC(=CC(C)N)OC=O;DROPAOXNMPZVMY-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75522;MM75522;CCC(O)CCN;RPOTYPSPQZVIJY-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75523;MM75523;CN=C(NN=CC#N)OC;HBJODQZHADVLQO-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75524;MM75524;CC(C)=NNCC(O)C#N;UUYWQQBTTNQJNQ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75525;MM75525;CC#CC(=NNC)NC=O;FTEJKGZCKXRLTJ-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75526;MM75526;CC(O)C(F)=CC=NN;UCWGSUXUBMYVHP-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75527;MM75527;C=CCNC(C)(C)CN;AOMKEEFXGCQOAI-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75528;MM75528;CC#CC(=NOC)NC=O;YOWPTUCPJAWCCS-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75529;MM75529;CNCC(CO)C(C)F;PJNRKTCTMRLLFC-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75530;MM75530;CN=C(OC)N(O)CC#N;KYYOSYMNWMDKMN-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75531;MM75531;CCCON=C(CO)NO;BGKKYLHUSWXXMK-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75532;MM75532;CCN(CCF)N=CCO;RFIPMIBJTQAQTG-UHFFFAOYSA-N;148.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75533;MM75533;C=CC=C(C#CC)NC=O;COXTUFSLLAWQQB-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75534;MM75534;C#CC(C#C)N(N)C(N)=O;KMXHYEWBPJVIPE-UHFFFAOYSA-N;137.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75535;MM75535;CC#CC(=NC=N)NC=O;DDBVIHPFTHGSSI-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75536;MM75536;CC#CC(=NC=O)NC=O;RXFDWCRPNLASNZ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75537;MM75537;C=NN=C(C#CC)NC=O;NIZSKIMUSIIPCE-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75538;MM75538;C=C(C)C(C)(CN)NC;QPZKNZQRTSMRGJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75539;MM75539;OCC=C(C=NO)C=NO;WNNDGTBOHXVPPA-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75540;MM75540;C=CC(=C)CC(N)CN;DVJNFKMOWJLDTO-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75541;MM75541;COC=C(C=NO)C=NO;YPTZMQQNDSKORW-UHFFFAOYSA-N;144.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75542;MM75542;C#CC(=NN)C(=C)CO;KSTKCBSVHYKGSV-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75543;MM75543;CC(O)CNN=CCC#N;SKIZTANLPGVKFJ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75544;MM75544;OCCNN=CC=CF;QQYHHGYYRMIMPV-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75545;MM75545;CON=C(C=NN)C=NO;DWOAKSDWVBLONW-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75546;MM75546;CNC(C)C=C(C)CF;LRLXWXOLUSFUCK-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75547;MM75547;C=CC(C=C)C(CN)CO;GMLWBVCQGWAUIM-UHFFFAOYSA-N;141.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75548;MM75548;C#CC=C(C=NO)C=NO;DUZHIHFTKMVUPN-UHFFFAOYSA-N;138.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75549;MM75549;CC#CC(C=NO)=CCO;IJIISCFQGPIBIA-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75550;MM75550;CC(C#CC(=N)N)=CF;AZMCPSLVAOVKFD-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75551;MM75551;CC#CC(C=NO)=NNC;LKBWZFMPJTUZDJ-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75552;MM75552;COCOC=CC(C)N;WUIYPILMGHTIQQ-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75553;MM75553;COCCC(=N)NC=N;FMSJEYKWQVEQSG-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75554;MM75554;CC(F)C(CCF)CCF;RGGCWNDAPHSNQC-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75555;MM75555;CN(C=CC#N)NC=N;PIJJKOGIWNZVCC-UHFFFAOYSA-N;124.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75556;MM75556;C=CC(N)C(N)C(C)C;WYCDWBRYZAOYSP-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75557;MM75557;CCNCC(N)C(C)F;VXDUIFONPQOYAQ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75558;MM75558;CNNC(=N)C(C)OC;DDJQXANKUHIBOW-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75559;MM75559;C#CCC(CNC)OC;NMVSRPZGYMKIMB-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75560;MM75560;CC(=N)N(C=N)C(C)C;JDEFTKOXHNJQMG-UHFFFAOYSA-N;127.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75561;MM75561;CC(C#CC=NN)=CCO;VVVXJFHXXHFSMR-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75562;MM75562;C=C(C)C(C)C(CN)CO;XCESFKDDBYVEFC-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75563;MM75563;CCOC(CCO)C(C)O;SZMGGZUMDZHKMX-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75564;MM75564;C=CN(C(C)=N)C(C)=N;WTPKJEWRQZEZMH-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75565;MM75565;CC(O)CC(=N)NCC#N;DWNVQLSTIQANCS-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75566;MM75566;C=CN(C=NCC)CCO;VAXJIJBYOOHPHV-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75567;MM75567;N#CCNC(=N)C=CCO;DCYZCKTZIJZVMM-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75568;MM75568;C=CC(CC)(CN)NC;DQGOMQSQXUTHLN-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75569;MM75569;C=CC(C=NOC)CN;HHTXEQFNUOOPMX-UHFFFAOYSA-N;128.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75570;MM75570;CC(F)C(CC=O)CCO;OYNFAVAGCPEVBG-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75571;MM75571;CC(C)=CC(N)CC(C)F;UNCNKVKQDXUKAY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75572;MM75572;CC(O)CCN;NAXUFNXWXFZVSI-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75573;MM75573;CC(=O)OC(C)=CC(C)N;BJEWUJJYWSGPDQ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75574;MM75574;CC(=CF)C(CCO)=NN;FPPHOGQYQXKVHO-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75575;MM75575;C=CC(C)(N)CCC(C)O;UKCCFGDMOCCOEL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75576;MM75576;NN=CC(=CF)CCO;OHIHNNHSSOVEEU-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75577;MM75577;NCCC=NN=CCCO;MYWZKLOVACEGJV-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75578;MM75578;CNCC(=CF)C(C)(C)N;OCOUOBFKODYQMD-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75579;MM75579;C=COC(CCO)C(C)O;DIWXCTGQZKIIJU-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75580;MM75580;COCOC(C)=CC(C)N;BRMACLHXBKVXCO-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75581;MM75581;C=CC(C)(N)CCCO;JVWFZUHQKUPBKA-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75582;MM75582;CCC(C)(N)C(CN)OC;LFFYPXKIMJEDAP-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75583;MM75583;C#CC(CN)C(C)(N)C=C;QBIGEADOFTYDLI-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75584;MM75584;CCOC(CC=O)C(C)O;SZULYZHYEARUSW-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75585;MM75585;CCOC(CC#N)C(C)O;QPFCOOXRJQOJAP-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75586;MM75586;C=NOC(OC)C(C)=O;DDANPBYIYXRWOO-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75587;MM75587;C#CC(N)(C#CC)CCN;WNWVCGXITGSUCC-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75588;MM75588;C=C(C#CC=NN)CCO;RIRJFQAHAIQZFL-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75589;MM75589;C=CC(N)(CNC)C(C)F;XMMVTKIMRBRRMG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75590;MM75590;C=C(C)C(N)(CF)CNC;WTPFDLOUKRHJRZ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75591;MM75591;CC#CC(C)(C=O)C(=N)N;ANAVHZCLQLWTFP-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75592;MM75592;C=NNC(C)=NN=CC=O;SQAULNOFEGGXRL-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75593;MM75593;C=C(C)C(=C)CC(N)CN;LOCALXSMOFRYSK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75594;MM75594;CNC(C)C=C(C)C(C)F;SDMRKCKLJMYYND-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75595;MM75595;CC(C)C(CC#N)CC#N;ZRFBWWVWDOQJQU-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75596;MM75596;CC(O)C(CC#N)CC#N;JREIXFURFOHBHH-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75597;MM75597;CNCC(CCCO)OC;RSLNWJRJZPRMQP-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75598;MM75598;CC(F)C(CC#N)NC=O;KSSBHRQTVJSAOK-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75599;MM75599;CNCC(C)(C=O)CC=O;IIKRSTMPQSPKDR-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75600;MM75600;C=COC(CC#N)C(C)O;VZUYCAVEAXOWCE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75601;MM75601;C=NOC=NNC=NNC;CNQDQWFFFKSPSR-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75602;MM75602;COC(C)OC=CC(C)N;OZIOAHTURGGXDP-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75603;MM75603;CCC(=O)OC=CC(C)N;DCJDSXIJGREFIR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75604;MM75604;CC(N)C=COC(=O)CF;ZMIWDGKSBHWGOH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75605;MM75605;C=NOC(=NN)NN(C)C;WJKGTFJKRWBNBN-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75606;MM75606;C#CC(=O)OC=CC(C)N;FUPLOACIBOCYAL-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75607;MM75607;CNC(=N)NC(=N)OC=O;GYAWSLKSFAJMTL-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75608;MM75608;C=C(C=CC)CC(N)CN;BWCAWOQRPSYTSQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75609;MM75609;C=C(C=CF)CC(N)CN;UWDXQHDMILXTBG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75610;MM75610;CC(=NOC=O)NCC#N;RXUMVVSSDYSLEN-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75611;MM75611;CCCC(CCO)C(N)=O;IBXCKGRNBIIHSK-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75612;MM75612;CC(=CC(N)C=CF)CN;ZOLQXIWKMBCXRE-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75613;MM75613;NC(C=O)=NC(N)=NC=O;VRPVPCCWYKHKHY-UHFFFAOYSA-N;142.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75614;MM75614;CNC(C)C=C(C)CCF;MTLOWKYMQHIJDN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75615;MM75615;C#CC(=NN)C(=N)NN=C;MXYUANVHICIBAE-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75616;MM75616;CNC(C)C=C(C)CC#N;YCXWRTMIYGWSLQ-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75617;MM75617;C#CCC(C)=CC(C)NC;JYOBCYFPOOQRFL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75618;MM75618;CCC(=CC(C)N)OC=O;LKWOBQXNARDZAN-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75619;MM75619;C=C(C)CNCC=CCN;DUKYIMRINNNYBG-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75620;MM75620;CCOCOC=CC(C)N;QSLOCDIWTAJVRZ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75621;MM75621;C=COCOC=CC(C)N;JKNMIWZFDWVIMG-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75622;MM75622;CC(C)=NNC(N)=CC=O;OZCNLNKTKUCDRW-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75623;MM75623;COCCNN=CCC#N;LLQPSSNSYNIJMD-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75624;MM75624;C=NOCOC=CC(C)N;RQOGQKYRMNMKGY-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75625;MM75625;CCNCC(=O)CCNC;QJPOYWLWRQBTIV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75626;MM75626;CC(C)(O)C#CC=NN;UYZPGRVPWQCMLB-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75627;MM75627;CCOC(CCO)C(C)=O;ZXKHDNFFULUDBJ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75628;MM75628;CON=COC=CC(C)N;IDYKWOKOLNWHNE-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75629;MM75629;CC(N)C#CC#CCCN;QKNLIEMDMPNNOR-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75630;MM75630;CCOC(OCC)C(N)=O;DSKGWFQMJHBHRT-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75631;MM75631;CCOCCC(=N)NC=N;LVRFUQURTXOTMS-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75632;MM75632;CCCN(CCO)C(C)=O;RWZMVDSHMKLMQZ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75633;MM75633;CC#CC(=N)NCCOC;LZDMEZUBHCVNCI-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75634;MM75634;C#CCC(N)C(N)CC=C;CWXWFUQTPMFSQN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75635;MM75635;C#CC(C=C(C)CO)CN;ZJPWLGLBPZJWQF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75636;MM75636;C=CCC(CCO)C(=O)O;IOMHUZGUYRPTQL-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16275;MM16275;N#CCC(CCF)C(=O)O;TXPBRAOBYBJBQU-UHFFFAOYSA-N;145.13;0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75637;MM75637;CC(C)NC(C)CNC=O;DLOVQIWKINYSCU-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75638;MM75638;CC=C(CN)C(N)C(C)C;IQYHXWJURZOKDG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75639;MM75639;COCC(CC#N)C(N)=O;AAVZXHLMXSPYNK-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75640;MM75640;C=C(F)C(=CCN)CNC;VCXWLQAJPUOTJK-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75641;MM75641;CN(C)C(=NC=O)N(C)C;GLBRQECQMUFZGK-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75642;MM75642;CNC(C)C(C=O)COC;NPFJKLOBEWYGSB-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75643;MM75643;C#CC(=C)C(C)(CN)CN;JUTQXXPJIHZRJZ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75644;MM75644;C=CC(C#CCO)=NN;ORJWHOFVHACJLT-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75645;MM75645;C=CC(C)(CN)COC=O;XSOWWQZTQLKMLP-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75646;MM75646;C=COC(COC)C(C)=O;HXOHCSYMXMTZKW-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75647;MM75647;C=CC(CN)(CCC)NC;QRTSTNRLBHRDOX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75648;MM75648;C#CC(CN)C(=C)CCO;NFEVYIYBOVVNEM-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75649;MM75649;C#CCC(C=C)(CN)CN;BSVNYLAVBBOJRK-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75650;MM75650;CC(C)NN=CC#CCO;NYYUWMSYBRJSKZ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75651;MM75651;C=CC(=CC)CC(N)CN;ABQQJFQZGGLKLH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75652;MM75652;CCOC(CC#N)C(N)=O;JVIUSSPPXCYFFG-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75653;MM75653;C=CC(=CF)CC(N)CN;ZJYVSFWGZHZNTH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75654;MM75654;C=C(C)N(O)C=NOC;ZDBTYZHQRFZLBT-UHFFFAOYSA-N;130.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75655;MM75655;C=C(CO)OCON=CC;UVLNXUWTWGGRFL-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75656;MM75656;CCC=NOC(C=O)CO;MPHGULIJPZKCTH-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75657;MM75657;C#CC(F)=CN(O)C=NN;QFOMFZFLDXLSQO-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75658;MM75658;CC(=O)N(CC#N)CCF;WNNZWWZCTZEAOV-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75659;MM75659;C=C(CN)C(N)C(C)CC;MPESTSNDOAMJNJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75660;MM75660;CCON=CN(O)CC;KRPQDWCRZIWQDD-UHFFFAOYSA-N;132.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75661;MM75661;CN(C=N)C(N)=C(F)C#N;ZFKVFXVOYQRPIC-UHFFFAOYSA-N;142.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75662;MM75662;C=CCN(CCF)C(N)=O;MPJOCBHXOBPMQL-UHFFFAOYSA-N;146.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75663;MM75663;C=C(C)CC=NNC(=N)N;WHJONPPERXYYOX-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75664;MM75664;CC=COCCC(N)CN;KIWXYWKYXHAWTI-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75665;MM75665;CNN=CC#CC(C)CN;CTKXACXTEBXCRY-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75666;MM75666;CNCCC#CC(C)=NN;NVNQKMPQIFUFDA-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75667;MM75667;CCC(=O)C(=N)NO;QDNJFBFGFMBXCF-UHFFFAOYSA-N;116.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75668;MM75668;C=CC(C=CC)C(N)CN;GQKFJFIMPGLQLI-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75669;MM75669;C=NOC(C)OC(N)=O;DYKNUCSLQOHTEB-UHFFFAOYSA-N;132.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75670;MM75670;C#CCC(CCF)C(N)=O;LJTVHJRFDFBFJU-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75671;MM75671;C#CCC(CCF)C(=O)O;APEGGONMQISVTB-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75672;MM75672;CC(CO)NN=CCC#N;OSDXOFQSOGUSON-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75673;MM75673;C=CC(C=CF)C(N)CN;PXPYJFBPGPLDQC-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75674;MM75674;C=CC(=CCN)C(N)C=C;QSZNNNVYHDOZKW-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75675;MM75675;C#CC(=NOC)C(C)CN;BWNYHGGIAJXEIN-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75676;MM75676;CC#CCN(C=N)CCN;BUPFSVQKCQLXTA-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75677;MM75677;C#CCN(OCC)C(N)=O;BQXUKVTTZGBZJV-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75678;MM75678;C=C(C)C(CC#N)CC#N;KKMCBLWWEYSCIE-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75679;MM75679;CC(C#CC(F)CF)CN;ARTNRAFDSNRMKB-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75680;MM75680;CNCC(C=CCN)=CF;OQBOLDZMHSVAJT-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75681;MM75681;C=CCC(CC=O)C(N)=O;ZIOLBZWFESBFFI-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75682;MM75682;C=CCC(CC#N)C(N)=O;HZPGFTSOXYGMFU-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75683;MM75683;C=NN=CC(=O)CCNC;WEVJYEVZWYGTND-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75684;MM75684;C=C(C=NNC)OCCO;WYPXLOGOWWZJPH-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75685;MM75685;C#CC(C=C)=NNCC=O;ACXGJKRSICKAGT-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75686;MM75686;C=NN(CC#N)CCC=O;SJNJXOKGKHVSQG-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75687;MM75687;C=NN(C)C=NNCC#N;NNTFURHSERWNAC-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75688;MM75688;C=CCC(NN=C)C(=O)O;QVPUYKNKEKZREW-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75689;MM75689;C=CC(C(=C)C)C(N)CN;MPHOULANIATTQA-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75690;MM75690;C=COC(CC#N)C(N)=O;UCLSKKMGHKJWBN-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16192;MM16192;C=COC(CC#N)C(=O)O;GNBMOZRJZXYWPG-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75691;MM75691;CCCNN(C=N)C(C)C;GJTSCECQZGDAFU-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75692;MM75692;CN=C(CCOC)N(C)N;LRQFSBRWOAKIQB-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75693;MM75693;C=C(F)C(=O)CCNC;NYBUTLIQQHINTL-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75694;MM75694;CC=NNC=NC=NOC;VFUXNHMFLAGBOC-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75695;MM75695;C=NOC(CC#N)C(=O)O;JMSAVJZCMCCJSN-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75696;MM75696;C=C(C)C(C=CCN)NC;BWXBTQSQVQTGOG-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75697;MM75697;CON(C=NN)C=NN;STILWJORCDEFEL-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75698;MM75698;C=CC(C=NNCC)CN;WNDXTDHZWVIWGW-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75699;MM75699;C=NNC(CC=O)=NOC;DSMPQHGNMGEEIB-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75700;MM75700;C=CN(C=C)C=NCCN;WKJOMEXAWFITNG-UHFFFAOYSA-N;139.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75701;MM75701;CC=NN=CC(CN)CN;IFFVXZUTENBYMA-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75702;MM75702;N#CCN(CC#N)C(N)=O;MXWXAZPTASMWDO-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75703;MM75703;CC=NNC(=N)OC=NN;DQJIVQIBZMBSJE-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75704;MM75704;N#CCN(OC=O)C(N)=O;QAHVJGJVAJYGOL-UHFFFAOYSA-N;143.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75705;MM75705;C=CC=NNC(=N)C=O;RFELYJRAORZSBI-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75706;MM75706;C#CC(CN)C(C)OC=O;OWBQWVWZVXRWBU-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16515;MM16515;C#CCC(CC=O)C(=O)O;KPKUWFPTLUFWRE-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75707;MM75707;CNCCC(=O)C(C)=CF;LJJYGAPOSXEYPV-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75708;MM75708;C#CCC(OC=C)C(N)=O;ZILVZPZCOHLLIK-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75709;MM75709;CNCCC(=O)C=CC#N;RTYROAWDRHXWKK-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75710;MM75710;C#CC=NNCC(=O)CC;CQRZLURUTLDVRJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75711;MM75711;C#CC(CF)C(=C)CNC;ARSUGHDMKUMAAV-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75712;MM75712;CN=C(NC)C(=N)NC=N;KYRILJURUMPSFE-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75713;MM75713;CNCCC#CC=NOC;IFWAYNKDVGYGFQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75714;MM75714;C#CCN(OC=O)C(C)=O;HUNROBVTXWJMMK-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75715;MM75715;C#CCN(CC#C)C(N)=O;SISVPWCRKRCGCP-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75716;MM75716;C=CCC(N)CN;CHASDAVUHLBZSL-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75717;MM75717;C#CC(=NN(C)C)NN=C;WHAGJGITNZVBFM-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75718;MM75718;CNCCC(=O)C=COC;ARPFPBFEUDFRBF-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75719;MM75719;CN(C=N)CC#N;UACDXBPSJNTPST-UHFFFAOYSA-N;97.12;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75720;MM75720;C=C(CF)C(C)N;NNKLBUWXTFBXGX-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75721;MM75721;CC(=CF)C(C)N;AAGVXPNZWCAPSX-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75722;MM75722;CC=NNCC(O)C#N;REYIDCRCMHNBQE-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75723;MM75723;C=CC#CCCN;MMBIRKVJEUXLPC-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75724;MM75724;C=C(C)CC(N)CN;GOOJBINFULKWQW-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75725;MM75725;CCC(N)C=C(C)F;QKIZBBLYMWAWRJ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75726;MM75726;CN=CNCC(F)F;PLVIPPCIQQXEKM-UHFFFAOYSA-N;122.12;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75727;MM75727;C=C(C(C)N)C(C)F;SZDABPLVLGOPRG-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75728;MM75728;CC(F)=C(C)C(C)N;RZMQBVNVROASQX-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75729;MM75729;C=NN=CC(O)C=NNC;LBCLRXCLWLRSFP-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75730;MM75730;C=C(C)C1(N)CC1C;YIOACSJFHQMCMX-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75731;MM75731;CC(C)C(C=CF)CC=O;ZVPQEJZLMMMUNJ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75732;MM75732;C=C(OC)N(C)C=N;VVHCAYQRVGPFMS-UHFFFAOYSA-N;114.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75733;MM75733;CC=CC(NC=O)C(C)O;QHFFTRCGGSDFHC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75734;MM75734;CC(C)C(C=NO)NC=O;QKDJCOUPMMRJJD-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75735;MM75735;C=CC(=C)N(N)C=N;KUOYOYMAQBCAFF-UHFFFAOYSA-N;111.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75736;MM75736;CN=C(C)NCC#N;CCDPCRNXDMCQQV-UHFFFAOYSA-N;111.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75737;MM75737;C=NNC(C=NO)C(C)C;MVOIPCWUSYMRFC-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75738;MM75738;C=CC(O)C=NNCC=O;FZYSOMFIHBIOTD-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75739;MM75739;C=NOCC(=O)C=O;GGVGZRGMTNECDL-UHFFFAOYSA-N;115.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75740;MM75740;CN(C)CC(C)(C)CN;ULDIVZQLPBUHAG-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75741;MM75741;C=CC(C)(CNC)NC;CMAZNPBBFNQRAC-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75742;MM75742;C=CC(N)CC(F)CC;QAJUVWIWCJAPFP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75743;MM75743;C#CC(=C)C(=O)CCNC;DROYCDDZJVALGT-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75744;MM75744;CC=CC(CCO)C(N)=O;SMLUULFTOCPVCS-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75745;MM75745;C#CC(CO)ON=CCC;RBHNTFVKBXTXEZ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75746;MM75746;C=CC(N)CC(F)CF;ZDBCIGNBYUXHCP-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75747;MM75747;CNCCC(=O)C=C(C)C;LWTJPCHHHFKJCM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75748;MM75748;C=C(CC)CC(N)CN;ISQYMWVCHPHWSJ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75749;MM75749;C=C(C)C(=O)CCNC;NEJBJFLLEGIGAD-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75750;MM75750;C=CN(O)C(C=NN)=NN;SJVIXYYWKDTIHU-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75751;MM75751;CC=C(C)CC(N)CN;DMNWUVZEIMDWHA-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75752;MM75752;CC(=CF)CC(N)CN;IQHWVUYOPBMYLK-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75753;MM75753;C=C(CN)CNC(C)C;OXDHPXHESPSWQG-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75754;MM75754;CC(C)=CCC(N)CN;KBZGEQDENNBPRL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75755;MM75755;CNCC(C)C#CC#N;ZUTKWANZMHJAHG-UHFFFAOYSA-N;122.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75756;MM75756;CNC(C)C(N)C(C)F;RLKHSSAMXHAMHM-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75757;MM75757;CC=CN(CCF)C(N)=O;HHHAJGKCURVFEW-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75758;MM75758;C=C(CN)C(N)C(C)C;ZQOXYZYXVXSSKT-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75759;MM75759;N=CN(N)C(=N)C(=N)N;UAZDFJVXQLIMSZ-UHFFFAOYSA-N;128.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75760;MM75760;CNN(C(N)=O)C(N)=O;IESNJYMXENWYGQ-UHFFFAOYSA-N;132.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75761;MM75761;C#CC=CCC(N)CN;AJQPCAUFUSLCQY-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75762;MM75762;CCCC(=O)C(=N)NO;GHRDRPYPDYGNKP-UHFFFAOYSA-N;130.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75763;MM75763;CC(C)CC(=O)C(=N)NO;FNGNITNKEMLRCP-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75764;MM75764;CCOCON=CN(C)O;FWNDFXVLOIUFLL-UHFFFAOYSA-N;148.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75765;MM75765;C=CC=NNC(=N)C(N)=O;SCBFFHSTWCULQS-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75766;MM75766;C=NNC(=NCCO)OC;GMJVQCHVWVAPFZ-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75767;MM75767;CNN=CN(NC)C(N)=O;NXDDESZUZAYAFZ-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75768;MM75768;CNN=CC(C#N)CCO;RARSFKXEVAYDIU-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75769;MM75769;C=NOCC(C=O)CC#N;QACRMXUXNQNNEV-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75770;MM75770;CC=CC(=O)CCNC;XZZPUIIFEISLCC-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75771;MM75771;C=CC(=O)CCNC;TTXGYERBPQKDCC-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75772;MM75772;C=C(C)C(C=NO)CC=O;XNYUTWIRPJFYMZ-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75773;MM75773;CC(=O)C(C=NO)CC=O;USJJQBDJDRRQFQ-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75774;MM75774;CC(=O)C(C=NO)CC#N;RCVYGOJRMACARD-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75775;MM75775;CC=CC(NC=O)C(C)=O;OOWZGLXQKVYLJA-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75776;MM75776;CON=CC(C)(C)C(N)=O;RYXINCJHGPIWBN-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75777;MM75777;C=C(N=CNC=N)C(=N)N;IPZWDIBVQMHOPQ-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75778;MM75778;C=NNC(C=CC)C(=O)O;PQBUNWXVSVJDBH-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75779;MM75779;C=NNC(C=NO)C(=C)C;GCCCTNTWGOINSQ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16435;MM16435;C=COC(C=NN)C(=O)O;RBGHARINVOMTKL-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75780;MM75780;C=NOC(C=NO)C(C)=O;BUCDQIMBUXDWAG-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75781;MM75781;CC(CCF)N(N)C=N;IOTHUYMTLKYLHE-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75782;MM75782;CN(N)C(=O)C=CC(N)=O;JRMHXDQOISDESL-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75783;MM75783;C=C(C)N(C=NO)CC#N;PODLEJKMFNSFTC-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75784;MM75784;C=C(CN)C(C)NCC;CVRJWUFYMRCOIB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75785;MM75785;C#CCNN=CCCN;WZIHKXRCUNJOJE-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75786;MM75786;C=NOC(C=CCN)=NO;JRKRYZWNLJBKGG-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75787;MM75787;C#CC(C)C(=C)CNC;WVIODVDINWGKEE-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75788;MM75788;C=NOC(CF)C(C)=O;XBDSUNUOBXNFRL-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75789;MM75789;C=NN=C(CF)CCN;MYQITSYSBQLXPN-UHFFFAOYSA-N;131.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75790;MM75790;CNCC(C#N)C(=N)NC;VDQMQKSLGIWXLP-UHFFFAOYSA-N;140.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75791;MM75791;C=CNC(=N)C#CCC#N;JSZJJVQVTCXBOL-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75792;MM75792;CNCC(C)=CC(C)=NO;ALENOCBTWSSMAA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75793;MM75793;C#CC(O)C(F)C(C)CN;SIWUEIKTJWIFTN-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75794;MM75794;C=C(F)C(O)C(C)CN;JNEKUMRRJQFIJJ-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75795;MM75795;CC(C)=NOC(C)C=O;RNNFMWKZFRKZRX-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75796;MM75796;C#CC(C=NN)C(=O)OC;YUPSVRBODGZOEV-UHFFFAOYSA-N;140.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75797;MM75797;CC=CN(NC=O)C(C)=O;VEMOIFDPAMIDRS-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75798;MM75798;C=CC(CCN)=NOC;VLHXEIHCEBFDPY-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75799;MM75799;C#CCC(C=NO)C(=O)O;FDSZKXSFKPQAFI-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75800;MM75800;C#CC(C=C)(C=C)CN;FGXULLXOLUIWFR-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75801;MM75801;CNN=CNN=C(C)CF;GGYIHJBUXDSHQM-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75802;MM75802;C#CC(C=O)=CNN=C;RDHINVAFUPOFPZ-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75803;MM75803;C#CC(CN)COC=C;UNIPTBZIQSCNPJ-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75804;MM75804;C=NOC=NNCC;BDFMAUSMEOGAEZ-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75805;MM75805;CC#CC(OCC)C(N)=O;JEZURSMSHQVHBL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75806;MM75806;CC#CC(CC#N)C(N)=O;FJPNQBHQCFSKSP-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75807;MM75807;CC(C#CCO)=CC(C)N;YDAUAWWKZWSDEY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75808;MM75808;C=NNC(=NCC)ON=C;ACSCULAZUYQYAQ-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75809;MM75809;C#CC(CN)CON=C;NHXCJEOKHIFYQN-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75810;MM75810;CC(C#CCO)CN;RUYIBVDTBQOISW-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75811;MM75811;CC(O)C(C=NO)C=NO;FPFNEMXCLXZRES-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75812;MM75812;CCC(O)(CF)C(C)CN;VTIXCFAXUAEWSS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75813;MM75813;C#CC(N)=NN=C(C)C=O;KYIQMBNWVJZOHR-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75814;MM75814;CC=NN(C=NO)C(C)C;MFQDOHSPZGYFRN-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75815;MM75815;C#CC(C#C)C(O)CNC;SZCFXRGALCUXLY-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75816;MM75816;CC(F)(C#N)C#CC(=N)N;CSEMKKGYDAPZCF-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75817;MM75817;CC=CC(C=NO)C(N)=O;ZWLBWAHAPNJEBE-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16526;MM16526;CC=CC(C=NO)C(=O)O;SRGYKNWZRRPXFS-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75818;MM75818;COC=CC(C)(O)C(C)N;NRRFPCNOIQBSGV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75819;MM75819;CC=NOC(C)OC=NN;BOKSERAYJIPWDA-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75820;MM75820;COC(C=CN)=NN;YAAPRJBEXUEUAY-UHFFFAOYSA-N;115.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75821;MM75821;C#CC(C#C)(C=O)NN=C;VLKHEHCWBJJESZ-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75822;MM75822;C=CC(O)C#CC(C)CN;XYTJITZFPJPENF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75823;MM75823;C=CC(C)(O)C(C)N;ATWIZQJOZBEPDO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75824;MM75824;CNCC(C)(C)NCC#N;SXSPFZWBNWRNRF-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75825;MM75825;C#CC(C=O)(C=O)NN=C;HMMSYXVYXGLVIG-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75826;MM75826;CC=NN(C=NO)C(C)=N;WYJLQCNSSOEXIT-UHFFFAOYSA-N;142.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75827;MM75827;C#CC(N)C(C)(C)C(C)N;CTVJCCXHKMSJBM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75828;MM75828;C=NNC(CF)=NC;MLTKSKDYGWBWIO-UHFFFAOYSA-N;117.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16414;MM16414;CC#CC(C=NO)C(=O)O;IRMIPDQMDBLSOP-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75829;MM75829;C=NNC(=N)CF;AARQMOSLYGGXSI-UHFFFAOYSA-N;103.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75830;MM75830;CC(O)C(=CCO)CCF;MOLDGEQALGMKFX-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75831;MM75831;COC=C(CCO)C(C)O;JPZLHCUTSAYKOW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75832;MM75832;CN(C)N=CCF;AIDCSRDXIMTFOD-UHFFFAOYSA-N;104.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75833;MM75833;C=C(C)NC(=N)COC=O;BMQWEOHLOBIGRC-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75834;MM75834;COC=C(COC)C(C)O;MMPDOOZQIYNKDU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75835;MM75835;CNN=CC(C)(C=O)OC;KUKIZOWRPZCHNM-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75836;MM75836;CNCC=C(C)CN(C)C;LBERCCCSJNSVRQ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75837;MM75837;COC(C)(C)CNCCN;VFUUPEKCMNJLPI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75838;MM75838;C=CNC(=O)C(=C)C(=N)N;FXDKQKPAHYGGKV-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75839;MM75839;CCC(CN)C(O)COC;LLUIUHAQYHMLQC-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75840;MM75840;CC(O)C(F)C(C)CN;BSBUTDYQWWMXSW-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75841;MM75841;C=CC(N)(CCF)C(C)N;TXYPDSNXNFUMCD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75842;MM75842;C#CC(O)(CF)CON=C;GWTIIPNCUZRIFO-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75843;MM75843;CNN=CN=C(C)NC=O;PBPSMMMYRZVJRM-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75844;MM75844;C=CC(O)C(N)CC;NSHKPMMUFRWNLP-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75845;MM75845;CC(O)C#CC(C)CN;JMFZVLARDDASGC-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75846;MM75846;C=CN(O)C=NC(=N)NO;OIWQSCVEACETDQ-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75847;MM75847;CC(C)=C(C)CC(N)CN;MWAAQSCIGRVVSX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75848;MM75848;CC(F)=C(C)CC(N)CN;PPBSYTUCDANNIU-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75849;MM75849;C=CCN=C(C)NC=O;GFNURLFOAAPEJK-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75850;MM75850;C=C(C)C=CCC(N)CN;JMBKVPUVOJOQMR-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75851;MM75851;C#CCC(=C)CC(N)CN;ZQFKXAWBRQLPBZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75852;MM75852;COC=CN=CNC(C)=N;QNWMTSXOBWANSW-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75853;MM75853;C=NNC(=N)C(=O)NN;ZJOFDGSRLBCATC-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75854;MM75854;C=C(CC)C(O)C(C)CN;DMHJVBRYRULYRY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75855;MM75855;C=CCC(N)C(=C)CNC;OJZYHASFMQFCKX-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75856;MM75856;C#CC#CCCNNC=O;NRTSGAOLGIEHTR-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75857;MM75857;C=C(C)C(O)C(C)CN;CKIWTZPNIJGSLN-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75858;MM75858;C=C(C)CN(N)C(=O)NN;VRTJYOOYCHEERH-UHFFFAOYSA-N;144.18;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75859;MM75859;CC(CN)C(O)C=CF;GXGJVHNDQBBLKM-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75860;MM75860;C=CCNNC(=O)N(C)C;NJJJYLRMTFXCNH-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75861;MM75861;CC=NOC(C)(CO)OC;NWPCKRXMIGTJGW-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75862;MM75862;C=CNC(=O)N(C=O)NC;VAGVXVULZOQSDO-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75863;MM75863;C=C(CO)OC(C)CNC;RJLCPFAJXCHASE-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75864;MM75864;C#CCNC(=N)N(O)CC;UOYRUIRZQCNAKV-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75865;MM75865;CC(C)(O)C(C)(F)C=NN;VCGOQYIDQKKAGL-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75866;MM75866;C#CCC(=C)C(=N)NC=N;DKIZMGQPDXREFN-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75867;MM75867;CC(O)C(=CC=O)CCO;IZVXGKVUVBLGKH-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75868;MM75868;COCC(=CC#N)C(C)O;PDELJXUVDNWAMG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75869;MM75869;C#CC(=CF)N(O)C=NN;VJGVOFFAOYKUIF-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75870;MM75870;C=NN=C(CCO)C(C)O;OVXPHPPDCWCAGI-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75871;MM75871;C=CCC(N)C(C)N(C)C;QGKRZADJHVLYTH-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75872;MM75872;CC(C)=C(C)C(=N)NC=N;JIQYLERWQXSLJV-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75873;MM75873;C=NN=C(COC)C(C)O;OEQHKXUBOLNHEP-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75874;MM75874;CC(C)ON=C(CO)NO;MEWXGLZFJBVUJZ-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75875;MM75875;CNN=C(NC=O)C(C)C;CFIPFOWADCENAC-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75876;MM75876;CNN=C(NC=O)C(C)O;GJHDSJPQZHLAQR-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75877;MM75877;CN(N)C(=O)C=CNC=O;DOXNZONXQXFFIA-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75878;MM75878;C=C(C)C(CCN)=NNC;DSHGBLKKUYUVBC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75879;MM75879;CON=C(NC=O)C(C)O;HTZXABKFHCQFQG-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75880;MM75880;C=NNC(CO)=NC=CF;CJUAOSVBXWQIBW-UHFFFAOYSA-N;145.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75881;MM75881;CON=C(NC=O)C(C)F;BUITVKUAUDVALF-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75882;MM75882;CNN=CN(O)C=NNC;RGMZAVGJESYSHS-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75883;MM75883;C=CCC(N)C(O)CC;YHYJJFHJNHTDMQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75884;MM75884;C#CC=C(C(C)N)C(C)N;XXUIUUMSYAXBRT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75885;MM75885;CCC(F)=CCC(N)CN;RQWSBBUOKCABIG-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75886;MM75886;C=CC(C)=CCC(N)CN;BDMKYVCIOJIPET-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75887;MM75887;CC(CN)C(C)(O)CCF;ZPBIJUCIPMNTBZ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75888;MM75888;CCC(CN)C(CO)OC;GYLMIEBMGQVOPI-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75889;MM75889;C=CCC(C)(O)C(C)CN;IXZWHICJYULLSW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75890;MM75890;CN=C(NNC)N(C)O;IMOZMWFAOSPAHT-UHFFFAOYSA-N;132.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75891;MM75891;N=CN=CN(O)C=NN;AOCVVBQJPHGGHQ-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75892;MM75892;C=CC(F)=CCC(N)CN;LNWDCDGBIJKKLI-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75893;MM75893;CCC(=CF)CC(N)CN;KCLDJLDHUFRPQJ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75894;MM75894;CC=C(CF)CC(N)CN;RWVOWMQEOCGBCM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75895;MM75895;C#CC(C)NC(=N)N(C)O;LZRFACPGFSTTDV-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75896;MM75896;CN=CNC(=N)CCC#N;JZLNRLJOUYPHGO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75897;MM75897;NN=COC(=NN)NO;XVHPVBDNDKCWLY-UHFFFAOYSA-N;133.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75898;MM75898;CC=NNCC#CC(N)=O;AEPZZYHFSOUDKH-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75899;MM75899;CCC(C)N=C(NN)NO;OOEXCQLGDWSORJ-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75900;MM75900;CC(C=NN=CCO)CN;KSMQIUZZHGMDFL-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75901;MM75901;C=C(C)CC(N)C(C)O;UODDASYHWKXBEW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75902;MM75902;C=NOCCC(C#N)C=O;RRKXWQQGCKFNIE-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75903;MM75903;CC(=CF)CC(N)C(C)O;LZJQKVIRRYSCTC-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75904;MM75904;N=C(N)NN=CCO;IXCPKVJBVRCJBY-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75905;MM75905;CC(N)C(C)O;FERWBXLFSBWTDE-UHFFFAOYSA-N;89.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75906;MM75906;C#CC=C(CCO)C(C)O;VXRKOTZKSZFMGP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75907;MM75907;CCNCC(C)C(=O)OC;ZMGSTHPWYHINIC-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75908;MM75908;C=C(CO)C(=NC)NN;DRLCPCDKOXWSAX-UHFFFAOYSA-N;129.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75909;MM75909;C=CC(=C)C(N)C=CCN;BHGWEOZRSTZJMJ-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75910;MM75910;CC(O)C(=CCO)CC=O;XRKXEEBAHXXYAG-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75911;MM75911;COC=C(CC#N)C(C)O;JJTRMQRUIHZIPO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75912;MM75912;C=CC#CC(N)C(=N)NC;AULYTBWHAQHKGV-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75913;MM75913;CC(CN)C(C)(C)O;OGMZAUYKGXDGCT-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75914;MM75914;CN(C(=N)CC#N)C(N)=O;TVYVYUCLCITHLT-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75915;MM75915;CC(=NOC=NN)NO;ODTTWPOJOVFOCV-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75916;MM75916;CNN=CON=C(C)NO;KZLIIDJEWDSMRR-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75917;MM75917;CCCNCCC(=O)OC;GDEQTSGNHQHPLZ-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75918;MM75918;CC(C=CF)C(N)CO;DJTYMVRTHRGWTB-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75919;MM75919;COC=C(NC=O)C(C)O;JHRLOJBQNFQJEV-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75920;MM75920;CC(=CF)C(C)C(N)CO;JCVPBVUZCVXBPW-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75921;MM75921;C=COC(=CCO)C(C)O;CIMFJJVPEUJBFF-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75922;MM75922;CC(O)C(=CCO)OC=O;AGLNYSMRINYOCU-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75923;MM75923;C#CC(N)=NN=CC(N)=O;RJIDUPOHAGGKPK-UHFFFAOYSA-N;138.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75924;MM75924;C=COC(=NNC)C(C)O;HYZYAYVXVITOEQ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75925;MM75925;C#CCNCCC(=C)CN;JYRUKNCSAVPCAH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75926;MM75926;N#CCNC(C=O)CO;PGLJWJPRNDADBF-UHFFFAOYSA-N;128.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75927;MM75927;CC=NOCOCCO;KUNLJAZPUNBJTN-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75928;MM75928;C#CC=NN(C)CCO;NJXLVOPLZOSBAP-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75929;MM75929;C=C(C#CC=NN)C(C)O;ULJSOAJYZWHDLN-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75930;MM75930;CC(C)N(C)C(C)CO;NGNCAQIJXZLCHV-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75931;MM75931;CNN=C(C)C(F)C=NN;XHTOZUCMUKVXNX-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75932;MM75932;C#CC(CO)C(N)C(C)C;GEBUZHZLXXJKNM-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75933;MM75933;CCCC(CO)NCCN;VCXMDEGZFJRGQG-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75934;MM75934;CCC(N)CO;JCBPETKZIGVZRE-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75935;MM75935;CC(NCC#N)C(=O)C=O;CXRBLGQOSWIWIW-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75936;MM75936;CNCC(CF)C(C)O;KDVXLQZCQPEQLQ-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75937;MM75937;CC=C(F)CCNCCN;ZVGSWPIIWGHVLW-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75938;MM75938;C=NNC(CF)=NNC;HAAVKESVKAUIJA-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75939;MM75939;CNN=C(C)CC#N;ZCIYSNQJZHNVSY-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75940;MM75940;C#CCC(CN)C(=C)CO;RQHUZYCYRGJMLV-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75941;MM75941;CC(C)C(CN)C(C)O;GYWXULUKPZHAKM-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75942;MM75942;NCC(N)CC=CCCF;MDHRVGCCVAYGRP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75943;MM75943;C=CCOC(C=CN)=NN;ZAECFGRDTHZVJR-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75944;MM75944;CNN=CC(F)C=NN;UXXXYJVXXAJNHU-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75945;MM75945;CC=NN(C)C=NC(C)=O;BVOLCFHZWZZFLA-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75946;MM75946;CNN=CCF;FIIISJVPXVCFJH-UHFFFAOYSA-N;90.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75947;MM75947;CCC(CN)C(C)O;LNPLPBRSCJTMHP-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75948;MM75948;C=COC(C=O)C=NNC;AFXASLUTQPXGGB-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75949;MM75949;C#CCCC(CN)C(C)O;WILBTTARQXSNEX-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75950;MM75950;C=CC(=N)NC=NCCO;JXRVAOXSLXTJLF-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75951;MM75951;C=NNC=CC=NCCO;UHGGGYWGHWCGJI-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75952;MM75952;CNN(C=O)C(=O)NC=O;CWNYREJSORUMPO-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75953;MM75953;C=CC(C)C(CN)CO;OQXHKFDYAIYRGU-UHFFFAOYSA-N;129.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75954;MM75954;C=CCC(CN)CO;CZUIGKJWYZGBRL-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75955;MM75955;CC(C)C(CN)CO;JUZQUSSFETVSOF-UHFFFAOYSA-N;117.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75956;MM75956;CCOC=CCC(N)CN;NMDLJKHKBHFGKL-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75957;MM75957;CC(C)C(=CC#N)CC#N;OZMSRRGMRAMIGI-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75958;MM75958;C=NN=C(CC#N)C(C)O;RBHZBXWQXSMMCN-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75959;MM75959;C=C(C)CC(CN)CO;OAMAKNYTOKPTCT-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75960;MM75960;C=C(F)CC(CN)CO;VXDUMIIBDRCPSS-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75961;MM75961;CC=CCC(CN)CO;KCPYIYSTQSWWPF-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75962;MM75962;C#CC(=C)CC(CN)CO;KXYREJZTMZZTDM-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75963;MM75963;CC(O)C(=NC=O)NC=O;NENPBLMGZFLAHB-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75964;MM75964;CC(=CF)CC(CN)CO;JNOVTTGFQKTAPU-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75965;MM75965;C#CC(C#C)C(=O)NC=N;JYBKNKWVPAYHQL-UHFFFAOYSA-N;134.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75966;MM75966;C=C(C)C(=NO)NCC#N;BTLQYZGFSJTNPO-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75967;MM75967;C=NN=C(NC=O)C(C)O;ZFJOPOVUUMESDR-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75968;MM75968;C#CC(=CNC=N)C(N)=O;MZOLXBGGEZNLFL-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75969;MM75969;CC(O)C(=CC#N)OC=O;JLRSNHVXFXMDBU-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75970;MM75970;C#CC(O)C(C#C)ON=C;PVECOKWGGZSMMX-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75971;MM75971;NCC(CO)CC=CCF;LWBWJWXVJHHCPL-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75972;MM75972;CN(C)C(CC#N)=NC=O;PMYBQXLBVRUZHH-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75973;MM75973;C=CCC(=NC=O)N(C)O;OQHIXZCBAIOZID-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75974;MM75974;C=NN=CCC(CN)CO;XNZZQLPDIWPSMP-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75975;MM75975;CN(O)C(CC=O)=NC=O;RIXLIGIFWWHORJ-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75976;MM75976;CNN=CC(O)C(C)=O;RHRWZUKZSSEHGK-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75977;MM75977;C=NN=C(CC#N)N(C)O;HZFYSZUNWWYSOW-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75978;MM75978;CN(C)C(=CC=O)NC=O;CBTLQIFHKOJSCI-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75979;MM75979;C#CC(=C)CCNCCO;WJPXXHGXZCXIPU-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75980;MM75980;C#CC(CNC)CC(C)O;YTEFHIWZVREBPL-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75981;MM75981;CNN=C(C)CC(O)C#N;ZNZCQELHQDRLDH-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75982;MM75982;CNN=CC(O)C(C)F;LAPKMNWKXUWPLA-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75983;MM75983;CC(O)CC(CN)CF;KMKFYDHABYBILN-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75984;MM75984;CCNN=CC(C)(O)CF;VSMAHTUNRPSWTC-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75985;MM75985;NCCCO;WUGQZFFCHPXWKQ-UHFFFAOYSA-N;75.11;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75986;MM75986;C#CC(CCO)CNC;AXGRSDNHEFUILL-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75987;MM75987;CNCC(C)(C)NC(C)=O;HPBUSAOMGQICJJ-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75988;MM75988;CNCC(C)(C)NC=O;OQWUGDCUGOEFJV-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75989;MM75989;C#CC(=CC(C)N)CCO;APQCNQXVXOIQBJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75990;MM75990;CC(CN)(CF)CCCO;IMWYUETUTSOXLG-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75991;MM75991;C=NN=C(NC=O)N(C)O;XBBJNSFBUMOZLO-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75992;MM75992;C#CC(=N)N(O)C(=N)C#N;BTUXAOIKXWYDPP-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75993;MM75993;C#CC(C=CC(C)O)CN;MFOYGKLCEYOMNJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75994;MM75994;CON=CC(C)C(N)=O;JXUJEWSSBIHDSN-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75995;MM75995;C#CC#CCN(N)C(N)=O;OLEFTXZYPWKALZ-UHFFFAOYSA-N;137.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75996;MM75996;C=CC(=NN)OCCO;NBSKOVOGARWIDL-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75997;MM75997;C=NOCC(C#N)CC=O;SLNGKRDQTNUNQN-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75998;MM75998;C#CC(=CC(N)=O)NN=C;XLQLZTKYPTZUOE-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM75999;MM75999;CN(C)C(=CC=O)OC=O;PGSJXXVEMOKNBH-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76000;MM76000;NCC(N)CC=CC=CF;ZZHRZVTWMWNYKT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76001;MM76001;C=CN=CNNC(C)=NC;YTBMPBRQMOEIFT-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76002;MM76002;C=CC(N)C=CC=CCN;HVPZVJRVNGAJJK-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76003;MM76003;NCC(N)C(CF)CCF;KXYJPEIDVXKWPB-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76004;MM76004;C=CC(C#CCCN)CO;HUQJKKSSVYQDRJ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76005;MM76005;CCNCC(CNC)OC;ZWCFVTKGGHDFKW-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76006;MM76006;CC=C(CCCO)CNC;KQVBUNYJGFRMQZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76007;MM76007;C#CC(CCCO)=NN;CJWIDVFPCYYQCC-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76008;MM76008;C#CC=C(NC=O)C(C)O;BHPRBCWJVAGICE-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76009;MM76009;C#CCC(=CCO)C(C)O;NDXGDSSEOSAOED-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76010;MM76010;C=NNC(=CC#N)NC;RKYYMNFIDCUWPO-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76011;MM76011;CNCCN(C)CCC=O;FXFCCFHQGNOTCF-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76012;MM76012;CCNCC(C=NN)CF;DLCBMBTWZXBXMC-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76013;MM76013;CC=C(CNC)CNCC;ISXGUOUJMCZHNM-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76014;MM76014;C#CC#CC(CN)CNC;IJLWNJYBBVFRSM-UHFFFAOYSA-N;136.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76015;MM76015;CCON=C(CF)CCN;VKDFBKWUPKTAJE-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76016;MM76016;C=CC(CCN)=NNCC;RONHHFRTRSIXGJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76017;MM76017;C=C(C)C(NC)C(C)NC;BOEAKTWGWNXNNO-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76018;MM76018;CC(=O)C(F)=C(N)N=CN;HYAUMDHWZMUBAF-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76019;MM76019;C#CCC(=NC=O)N(C)O;MGTFFJKXPDGOBM-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76020;MM76020;CC(=NNCC#N)N(C)C;VHDNOGSIQWHGST-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76021;MM76021;C#CC=CC(NC)C(C)N;QQGWEUDNGHHIMH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76022;MM76022;CCC(NC)C(CN)OC;OMKHUZWONPMFAA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76023;MM76023;CCN=C(NN)N(C)OC;SVIYKSVYPRZWDZ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15286;MM15286;CCC=C(CCF)C(=O)O;CMMTZQYCADSBNK-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76024;MM76024;COC=C(CCO)C(C)=O;SVWOZVLYXCUWRN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76025;MM76025;CC(C=O)N=C(N)C=O;DGKNWAPMDDHLSH-UHFFFAOYSA-N;128.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76026;MM76026;CCCNCC(CN)OC;KKFUYZXWXQQYCD-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76027;MM76027;C#CC(CN)COCC=C;HWXDCFCWJYMFJR-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76028;MM76028;CCON(C)C(=NC)NN;BBUWNBDRGWJMDR-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76029;MM76029;C=C(C)C(=NN)N(C)C;NMRMQZDCHDSYHE-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76030;MM76030;C#CCOCC(C#C)CN;IJKMJEPZFAMPAH-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76031;MM76031;C#CCC#CC(CN)CN;BXVWGMYWSVQUEQ-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76032;MM76032;C#CC(=CCNCC)CN;UDLBWHNGWLDRMU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76033;MM76033;C#CCC(N)C(C#C)CN;UNPUDFJBBPLJBT-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76034;MM76034;CCNCC=COCCN;XVRNXHVSEBRZHS-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76035;MM76035;CNCC(C)OC;ARJYMGOQJFRJEF-UHFFFAOYSA-N;103.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76036;MM76036;CCN(C)C(C)=NN;USOIQKHYKPXIGW-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76037;MM76037;C=NN(CC#N)CC(C)=O;ADVUMMHIAXLECM-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76038;MM76038;C=CC(N)CCF;KLGUENNCSDXEND-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76039;MM76039;CC=CC(C)NC;RYJLQZZUQFEGBK-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76040;MM76040;C#CC(=O)C(C)C(C)NC;PQRIAYQXGPFIMR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76041;MM76041;CCC(=N)NOCC#N;JBSJKBAVMXXSJA-UHFFFAOYSA-N;127.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76042;MM76042;CNC(=N)NOC=NOC;FEUYDFBFZMLLJZ-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76043;MM76043;CON=CCCN;IPTVZIIPONIWDI-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76044;MM76044;CCOC(=COC)C(N)=O;CWHFFTUONWBREI-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76045;MM76045;C=NNCC#CCCN;RIBFMVJGKWWIGL-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76046;MM76046;NCCC#CCF;YCZJFGZTAZRZED-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76047;MM76047;N#CC=C(CCF)C(N)=O;JBMLFHMYLPBELZ-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76048;MM76048;C#CCC(=C)CNC;RLGILRBLKWBFBP-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76049;MM76049;CC(N)(C=NO)CCF;RAQYKIMKVRTDLV-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76050;MM76050;C=CC#CC(O)C(=N)NC;KALRDXGOATZOII-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76051;MM76051;CNC=C(C)C(=NN)OC;SOYPPQZCUXRUTR-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76052;MM76052;COCC(=CC#N)C(N)=O;DEGSARYUNKCXHL-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16298;MM16298;COCC(=CC=O)C(=O)O;HYBLIEOCQYFUGY-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16144;MM16144;COCC(=CC#N)C(=O)O;QICGJBRIQDEHTQ-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76053;MM76053;CNN=CC(C=O)OC;MALSROUPVXJEDG-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76054;MM76054;CC(N)C=CC#CCO;HNVXAHYESBDTGA-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76055;MM76055;C=NN=C(C)CCN;GBBFYTDPVJZWRC-UHFFFAOYSA-N;113.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76056;MM76056;C=NNCC(O)C(O)C#N;RNDLLQMCUQTXAT-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76057;MM76057;C=C(C)C(=NNC)NC=O;HXWMPSUNEUITHT-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76058;MM76058;CCC(C)C(O)C(=N)NN;MYNATWQATROSMN-UHFFFAOYSA-N;145.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76059;MM76059;C#CCC(O)(CC)C(C)N;BLBBUYWPAWPLFP-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76060;MM76060;CCOCC(C)(O)CNC;UMQXKLFBADGMJJ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76061;MM76061;CNCCC(C)(F)CO;GVFVTNWBVQQHHI-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76062;MM76062;CCOCC(O)C(C)CN;NTRWGGQLJKRPEU-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76063;MM76063;CON=C(NC=O)C(=O)O;ORJQIJHLDKGZNE-UHFFFAOYSA-N;146.1;-1.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76064;MM76064;C=NNC(=O)N(N)CC;QNUWJLWJGRLJEY-UHFFFAOYSA-N;130.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76065;MM76065;C=C(CNC)C(C)N;DMRXCXQTJMLMBO-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76066;MM76066;C=C(COC)C(C)N;GLLSJGKLYATBIT-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76067;MM76067;CCOC(=CC=O)C(N)=O;CHSQWHKMZZFGPD-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76068;MM76068;CCOC(=CC#N)C(N)=O;MVYJFUWUTHVPLK-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76069;MM76069;CC(CF)C(N)CN;RXEPCSLDEDRGFN-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76070;MM76070;C=NN=C(OCC)C(N)=O;CWYXGVUAEVQJEZ-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76071;MM76071;C#CC(O)(C=NN)CC=C;NWABWCITJIBGFW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16481;MM16481;C#CC=C(CCO)C(=O)O;XWHAIPNBZAUUBD-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76072;MM76072;CC(O)C#CC=CC(C)N;ZRJIEYTXKYCBKE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76073;MM76073;CC1CC1(CN)CF;VSORXZAVSGZRQQ-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76074;MM76074;CCNN=CC(C)(O)C=O;KWPOUOMWACGPHV-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76075;MM76075;CCON=CCCN;ZYNXQTSUOWWXLT-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76076;MM76076;CNC=C(CC=O)C(C)=O;BOZBCHSRIKQLDP-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76077;MM76077;C=C(CN)C(C)(C)NC;YMWVPMDXGZEDNX-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76078;MM76078;C#CCC(N)(CC)CN;CLXKLZVRZFGSRT-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76079;MM76079;COC=C(CC#N)C(N)=O;PZJHZAHODLTMIB-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76080;MM76080;C=CCNNC(=O)NC;RUNLKNDOIDKCJU-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76081;MM76081;C#CC(O)CC#CCCN;NUZANHIZHGOYTG-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76082;MM76082;C#CC(C)C(O)C(C)CN;LEWNRRKFTCMJGB-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76083;MM76083;CNN=C(CC#N)C(N)=O;QDRODPLBIIDBLF-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76084;MM76084;C#CCN(O)C(=N)NC;XUXODPDKXCVUMI-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76085;MM76085;CON=C(CC#N)C(=O)O;QMGCRZOOPWEQET-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76086;MM76086;CCC(NC)C(O)CCO;JARBINGVGGEUNR-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76087;MM76087;C=C(F)C(=CCO)NC=O;PJLHCNDXVLEWPB-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76088;MM76088;C#CCC(O)C(C)CN;ICMLDODJBOSYFH-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76089;MM76089;COC=C(NC=O)C(N)=O;IMABRCQGODADJT-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76090;MM76090;COC(CO)C(C)CN;YQCRNRXOVIMJRL-UHFFFAOYSA-N;133.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76091;MM76091;CC(C)C(O)C(C)CN;FJGUTTDAGNFFRS-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76092;MM76092;CC(C)CN(N)C(=O)NN;HDYFXEXPMYKTSG-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76093;MM76093;CN=C(NO)NCCO;YLVNOMYVPLDLIA-UHFFFAOYSA-N;133.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76094;MM76094;C=COC(=CNC)C(C)=O;NAAHMCGLVKLYMS-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76095;MM76095;COC=C(OC=O)C(C)=O;RDIHROLGSVDRRR-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76096;MM76096;CCC(C)(CN)N(C)C;XDYURRGYGRJXES-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76097;MM76097;C=COC(=NNC)C(N)=O;BOIKHSXXEUNZPM-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76098;MM76098;C#CC(C)(C=O)C(=N)N;BYDVOPGCBYCNDL-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76099;MM76099;C=COC(=NOC)C(N)=O;YXYDURDHOWDOKV-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76100;MM76100;CC(C)(C)N=C(NN)NO;HPVXATCTVSWVTR-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76101;MM76101;C=CCC(O)C(C)CN;XQKGEQVQTFXZAQ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76102;MM76102;C#CC(C)CC(N)CN;NEHKNUZUWXWNEV-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76103;MM76103;CC(=O)C(=CC#N)CC#N;TVQVVOGQXVLWRG-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76104;MM76104;CC(F)C(O)C=NN;UWTQVUDLGKYTRL-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76105;MM76105;CC=CCC(O)C(C)CN;KHDYJDQUNYBCSY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76106;MM76106;CNN=C(C)C(C)(O)CO;ZEWPZITUNCVVMB-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76107;MM76107;C=CC(C=C)C(N)C(C)O;RTHPUZUJXWHLKZ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76108;MM76108;CNN=CC=C(F)CO;RHMUDZMGQXRSEX-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76109;MM76109;N#CC=C(CC#N)C(N)=O;PTPODMJQWZUHCH-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16095;MM16095;N#CC=C(CC#N)C(=O)O;SOXZUPKAEYUJCC-UHFFFAOYSA-N;136.11;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76110;MM76110;C=NN=C(CC=O)C(N)=O;LPPSLSPPMCZBLW-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76111;MM76111;C=NN=C(CC#N)C(N)=O;YPWBJHRSAFESDF-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76112;MM76112;C=CCC(N)C(C)O;BJORUWKNBLQGBX-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76113;MM76113;CC(O)C(N)CC=CCF;FADLCJWDSQPRRL-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76114;MM76114;CC(=O)C(=CC=O)NC=O;ZBRMAEHTPKAMNE-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76115;MM76115;CC(=O)C(=CC#N)NC=O;JLUTVICJIORZTL-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76116;MM76116;C=CC=CCC(N)C(C)O;BWIFROXHGCRBPL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76117;MM76117;CCC(O)C(C)CN;MMWWVBQEVQSRHN-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76118;MM76118;C=CNC(=N)NN=CCO;JKSVEKKWAAECFQ-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76119;MM76119;N#CC=C(NC=O)C(N)=O;OVMRAEHSVMLMGW-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76120;MM76120;O=CC=C(NC=O)C(=O)O;MBFYTQVLWIXZNY-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76121;MM76121;C=C(NC=NN)C(=N)NO;PSRPVHOMYFPDSR-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76122;MM76122;C=CC(C)C(N)CO;ZIAKCBZAMLSKPH-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76123;MM76123;C#CC(=C)CC(CO)NC;ZJSLZENYQVICDH-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76124;MM76124;C#CC=CC(C)C(N)CO;UFSOXANJRSJFHR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76125;MM76125;C#CC(CO)CNCCC;IEWKEQXTMIIPCJ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76126;MM76126;CC(O)C(C)CN;KXMFGLXJCQSGOK-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76127;MM76127;C=C(F)CC(O)C=NNC;AURJSMDSPXTXOK-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76128;MM76128;C#CC(=N)NC=CC(C)O;FPAUWYMPZJDYQO-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76129;MM76129;CC(C)=NNC(C#N)CO;KSZUKRJAELSRQE-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76130;MM76130;C#CC(C#C)(C=NN)CO;RCDGEAQQIXGOED-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76131;MM76131;CNN=C(CO)C(C)CO;RNIKOSQVRSQXNK-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76132;MM76132;CCC(N)C=C(F)CN;IHIOEEQIZJAUDG-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76133;MM76133;C=CC(N)C=C(C)CN;LZQVZUVJJICVIY-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76134;MM76134;C=COC(=CC#N)C(N)=O;MYFJFFWEUOLVRR-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76135;MM76135;C#CC(=N)NCC(C)F;LIBQPUJSURQOMV-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76136;MM76136;C=COC(=NN=C)C(N)=O;XQRGZJIJUKGDND-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76137;MM76137;CNCC(C)OCC#N;PTEOJXKBQGOPKS-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76138;MM76138;CCC(CN)CO;DHPOUEPMENIWGX-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76139;MM76139;CCCC(CN)CO;WXEANJGEMOJGSH-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76140;MM76140;C=C(CNC)CNCC;JIPRPMSRWAFHHR-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76141;MM76141;NCC(CO)CCCF;UXYFFQVYYOTMFS-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76142;MM76142;C#CC=C(CC#N)C(N)=O;BSJNXEWXHQWZHR-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76143;MM76143;C#CC(C)CC(CN)CO;SVHXIXOOMKFYFN-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76144;MM76144;C#CC=C(NC=O)C(N)=O;SNGUBKBAMXZKLF-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16367;MM16367;C#CC=C(NC=O)C(=O)O;AVYHZKIDTMLNAY-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76145;MM76145;C=CCOC(=C)NC=N;MWSHNVBLQJJYSS-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76146;MM76146;C#CC=C(OC=C)C(N)=O;XFMAPVYYZQWEOA-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16532;MM16532;C#CCC(=CCF)C(=O)O;NJUKZZZFJTTYKU-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76147;MM76147;CNN=CC(C#N)C(C)O;RCAQZOFLOSVJGM-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76148;MM76148;C#CC(C)C(N)C(C)CO;OWNYAAQTXZGFRA-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76149;MM76149;C=NN=COC(=NN)NO;UCTAXMZRFQMGJZ-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76150;MM76150;C#CC#CC(=NN)N(C)O;VWRDICUOHHRRFA-UHFFFAOYSA-N;137.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76151;MM76151;C#CCC(=NOC)C(=O)O;OJZIKEROECNULU-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76152;MM76152;NCC(CO)CCCCF;XYDOXJHMAJJCEP-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76153;MM76153;COCCCC(CN)CO;XIXUZIPFULCMOC-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76154;MM76154;C=NNC=NC(=N)C(N)=O;HPHFRRAYIUVKRR-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76155;MM76155;C#CCC(=NN=C)C(N)=O;KCWPPRXWJQRJGU-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76156;MM76156;C=NN=CC(=C)NC=N;MAAXOYXOWAAMOZ-UHFFFAOYSA-N;124.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76157;MM76157;C=NNCC(C#N)C=O;QPYALYRJBLPADQ-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76158;MM76158;CCOCCC(CN)CO;MOWMEWXQDUIPIL-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76159;MM76159;COC=C(C=NO)C(C)O;CSWPHAZHFIHAEV-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76160;MM76160;C#CC(CNC)C(C)CO;BLUKOOUMGQJLAE-UHFFFAOYSA-N;141.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76161;MM76161;N=C(C=CF)NC=CCO;CPRXQRHTOWREBW-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76162;MM76162;CON=C(C=NO)C(C)O;LGMHPCJRBUYUJZ-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76163;MM76163;C#CC(=N)N(C)C=CCO;UFNZAQKRDXDNKI-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76164;MM76164;CC=CN(C=N)CC=O;AHGDATAUXQRKDM-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76165;MM76165;C#CC(C)(C)C(N)CCO;QMUISSYLCGKWKE-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76166;MM76166;CCOCC(CN)CCO;JYJGHBNYQFIZLP-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76167;MM76167;C=C(C=CCO)C(C)N;CMDXGKWVLNKOBN-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76168;MM76168;COCC(=NOC)NO;YMPUGLUQDXKTHL-UHFFFAOYSA-N;134.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76169;MM76169;C=NN=CON=C(C)NO;RGTWSTNFNLPPOT-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76170;MM76170;NCCC#CCCO;ZBQXRHMBVLOCAH-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76171;MM76171;CON=C(C=NO)N(C)C;JGPLARFPVJAARR-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76172;MM76172;C=CC(=O)C(=NC)NO;HCUHFJHTSRJEPL-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76173;MM76173;C=NNC(=N)C(N)=O;HXSKXFCKRGZOQP-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76174;MM76174;CON=C(C=NO)N(C)O;CVPVWVUGVXZZEP-UHFFFAOYSA-N;147.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76175;MM76175;CC(O)C(C=NO)=CC=O;WWLZEJYCWIZVNB-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76176;MM76176;CC=CC(N)C=CCN;ZNOIESOJGKRLKB-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76177;MM76177;COC(C=NN)=CCO;ZDNCHYSHRVGCEL-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76178;MM76178;C=CC(N)CC(C)=CCO;YRZGFVDQCMGHEY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76179;MM76179;CC=NN=C(C)CCN;GEMUMHWMSNKFDS-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76180;MM76180;CC(F)C(C)C(N)CN;BUVXLCUKKCUVMM-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76181;MM76181;CCC(C)(CNC)NC=O;KHEWRJKQYYPCCN-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76182;MM76182;C=C(CO)CC#CCCN;JGSVPGOFGIONRR-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76183;MM76183;C#CC(=O)C(F)CCNC;ATRCMQNUVFSTMS-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76184;MM76184;NN=CC#CCCO;OXNHPWGKQDTWLD-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76185;MM76185;CC(C#CCCN)CO;BFWCFEFGUTYOHJ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76186;MM76186;NCCC#CCCCO;TVPBOIVYDMVWMQ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76187;MM76187;CN(C)C(C=NO)=NC=O;NWIVBFJZVBDOQB-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76188;MM76188;C=C(CCCO)CNC;OXHQWBRIVHAZON-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76189;MM76189;CNCC(C=O)C=C(C)F;LEBUALSCKNKZQS-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76190;MM76190;C=C(CCCCO)CNC;UAUHBIDFVVPSCA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76191;MM76191;CC(O)CC#CCCN;BFWNEMZEXKCBOC-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76192;MM76192;C=NN=C(C=NN)N(C)O;IZKNEAOILFPHKT-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76193;MM76193;C#CC=C(C=NO)C(C)O;DDMIYVPMLJLELM-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76194;MM76194;CNCC(C=O)CCC=O;GLLUZZIMGARWRL-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76195;MM76195;CCC(N)C(C)N(C)C;OSNYMGRGGIIETC-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76196;MM76196;CN(C)C(=N)N(C)C=O;RPGRFUSMMVFBIA-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76197;MM76197;CNCC(C)=CC(C)CO;TYGBVTKDHOHNST-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76198;MM76198;C=C(C(N)=O)C(C)=NNC;MADKHERUCZRNOG-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76199;MM76199;C=C(COC=O)C(C)N;UUWNOZBKIGEWAR-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76200;MM76200;CNC(CCF)C(C)C=O;RZAGLUZBGNDVBH-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76201;MM76201;C=C(C)C(C=NO)=NNC;OWLXHVDRCSAXAK-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76202;MM76202;CON=C(C=NN)C(=O)O;MNGWSLSWSBRGQY-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76203;MM76203;C=NOCC(=C)C(C)N;YHXIWBDKYHRXDP-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76204;MM76204;CC(=COC=O)C(C)N;ZOVPQODYMGNHCZ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76205;MM76205;C=C(CNC)CC(C)CO;ZODPSVXTCMKXDL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76206;MM76206;CNCC(C)=CCC(C)O;KJHHVVZOXDWWRV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76207;MM76207;C=C(CCC(C)O)CNC;GMALPZWYXFSPGP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76208;MM76208;C=NNC(C=O)=NC=NC;DUSHKOZFUDQXLV-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76209;MM76209;C=NN=CNCC=O;SCRGZWNDADEILS-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76210;MM76210;C=CC(N)CCON=C;ZZCIAQGHIVQEMZ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76211;MM76211;CNC(C)C=CCC#N;AYURYSUTDIZAFF-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76212;MM76212;COC(C)C#CCCN;DSYNDFFLBIOEFH-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76213;MM76213;C=C(CNC)C(C)NC;RCWMSGCPHSKYEN-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76214;MM76214;CON=CN(C)C(=N)NN;ZYALOINHWPLDRA-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76215;MM76215;CC#CC(=NC=O)N(C)O;IKBSZBWXWYWGGF-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76216;MM76216;C=CC(N)C(C)=CCN;WUKFHWLIFIWYBV-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76217;MM76217;CC#CC(=COC)C(N)=O;ZWXDMALRMWFEQY-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76218;MM76218;C=CNC(=NNC)NC=N;IYBWDSJAAIPIOP-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76219;MM76219;C=NN=C(C#CC)C(N)=O;RNTQNOQSUKCBMP-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16300;MM16300;C=NN=C(C#CC)C(=O)O;FUJZXKAJEYYUNR-UHFFFAOYSA-N;138.13;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76220;MM76220;CC=C(CNC)C(C)N;NQGWDNAHRXWMGP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76221;MM76221;C=NN(CC#N)C(C)C=O;WYCDOXSKZPTBNG-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76222;MM76222;C=CC(=NN)N(C)C;HTOVZCFRCFFBHQ-UHFFFAOYSA-N;113.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76223;MM76223;C=CC(C=C)(CC)CN;KJINBFMFICNOEK-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76224;MM76224;C=NNC(N)=C(C)C#N;PXIPCLDMBYYCSX-UHFFFAOYSA-N;124.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76225;MM76225;C#CC(C=C)(CN)CN;XMMPWOGHILOUHJ-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76226;MM76226;CC(C)=C(CC=O)CCF;IMEDKAABFGESRV-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76227;MM76227;CC(F)=C(CC=O)CCO;BHDABHCTPBCRHI-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76228;MM76228;C=NNC(C#CC)=NNC;NVRBYKUQZNLWEH-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76229;MM76229;CC#CC=NNC=NNC;MYMUTLOXLBFRQT-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76230;MM76230;CCCC=NN(C)C(=N)N;YUPBQZRBQCXOQS-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76231;MM76231;CCC(CF)C(N)CN;GSYYJYBZPBCOPS-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76232;MM76232;CC(C)=C(CCO)NC=O;COSHBAXSAGRYQD-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76233;MM76233;CC(C)=C(CCF)NC=O;UDRVQJDAPWYXQH-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76234;MM76234;C#CC(CF)C(C)NC;UMCHEHMTIDDWHT-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76235;MM76235;CC(F)=C(CCO)NC=O;GZUXWMACJFZHQJ-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76236;MM76236;CNCCC#CC(O)C#N;BKSNYJZMDNWQFV-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76237;MM76237;O=CNC(CCO)=C(F)F;IBRVSSSBCSKISJ-UHFFFAOYSA-N;151.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76238;MM76238;COCC(NC=O)=C(C)C;DZACIYUMUBAQIJ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76239;MM76239;C=CC(OC)C(C)NC;SNWZOYKMGQZHQA-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76240;MM76240;COCC(NC=O)=C(C)F;WXMIBCQCRVILOK-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76241;MM76241;C=CC(=NO)OCCCN;IEXRLQMWXGXUNE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76242;MM76242;COCC(NC=O)=C(F)F;LZVOFWHBUPJMHT-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76243;MM76243;C#CC(CN)C(=C)CF;PXYMJOIVPCCBEF-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76244;MM76244;CC(C)=C(CC#N)CC#N;DRNJODVZPGCLHR-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76245;MM76245;C=CC(CC(C)NC)=NO;VUZCVNVQJNDARX-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76246;MM76246;C#CC(O)(CC)C(=N)NC;VGTFLAFDPHCLMY-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76247;MM76247;CC(F)=C(CC=O)NC=O;VTINSNLRSLEAGC-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76248;MM76248;CC(F)=C(CC#N)NC=O;DQDQJWBETNKIDL-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76249;MM76249;C#CC(C)(O)C(=C)CCN;XPIFONXYCREHKK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15307;MM15307;N#CCC(NC=O)=C(F)F;SJPAXBDTCQLMCJ-UHFFFAOYSA-N;146.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76250;MM76250;CCC#CC(CN)CN;YMUXDUMYMZXIMQ-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76251;MM76251;CC(F)=C(NC=O)NC=O;BGBQZWXCTXMQGG-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76252;MM76252;C=COC(NC=O)=C(C)F;VSGWOEJKUPCNPD-UHFFFAOYSA-N;145.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76253;MM76253;C#CC(O)C(C#C)CCN;BECOKKMFFISNEW-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15313;MM15313;C=COC(NC=O)=C(F)F;TWMUIIHQKQSFFP-UHFFFAOYSA-N;149.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76254;MM76254;C=CCON=CCCN;ZKOZQSXLHGULMP-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76255;MM76255;N#CCNNC=NOC=O;PPLZGEWGUVWRNP-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76256;MM76256;C=NN(C)C(=NN)C(C)F;NSIIVHKVMMTUGW-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76257;MM76257;C#CCC(C)(O)C(C)N;MCOCRVKBINFUIZ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76258;MM76258;CNC(=N)N(O)C=COC;YHLGKSRIKHGOBA-UHFFFAOYSA-N;145.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76259;MM76259;CC(C)N=C(N)CC(N)=O;HBAYGNMXTQPMOU-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76260;MM76260;C=NOCC#CCCN;VOJZHVJAHXHSQS-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76261;MM76261;CNN=CC(C#N)COC;PXXOZYSRHZPOML-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76262;MM76262;CC=NNC(=NO)N(C)O;DTPYMHGVEQGXGH-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76263;MM76263;CC(C)=CC(C)(N)C(C)N;YHAPVJJMCCVJBU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76264;MM76264;N#CCC(C=NO)=C(N)N;BVZAIPQHUUNKNP-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76265;MM76265;CC(=CC(C)N)C(F)CO;RTFFOGHCSLJFNP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76266;MM76266;C=CC(O)C(=C)CCN;PGNDIWWWCBTLMS-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76267;MM76267;CC(F)=C(C=NO)NC=O;LKEQCMVLAMKDFC-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76268;MM76268;CNC(C)CC(F)(F)CN;MDBMQLCKFKSJKV-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76269;MM76269;C=COC(C=NO)=C(C)N;YJOMWHYOYZDIFM-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76270;MM76270;C=NNCC(C)(C)C(C)N;MNAGNWKGXZPDIO-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76271;MM76271;C=COC(C=NO)=C(N)N;MFVYFSMDEMCWCA-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76272;MM76272;CC(C)=CC(N)C=CCN;NVADIIHHHHGVLS-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76273;MM76273;CNNC(=N)C(C)(C)OC;MZMRQKSAUCEQCD-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76274;MM76274;CC(N)=C(C=NO)C=NO;ZSDDYWSDRRHNEK-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76275;MM76275;C#CCC(N)(CN)CCC;LQTZWAZWYMQNDG-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76276;MM76276;CC=NN=CC(=O)NC=N;XKDQQUCPZIZKEX-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76277;MM76277;C#CCC(O)C(N)CC;STOQYXGUTPDQFI-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76278;MM76278;C=CC(C)(CNC)NCC;VSUZXPDAPFKYNX-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76279;MM76279;C#CC(C)(CCN)NN=C;GJGCHYMKELCDOH-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76280;MM76280;CC(O)C(CCF)C(C)O;YQWCXTXZCUAMNH-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76281;MM76281;CC#CC(N)(CF)CCN;DVCZVUIFWQNIGK-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76282;MM76282;C#CCC(O)C(=C)CCN;NVHTZUIVDVQNAT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76283;MM76283;C=CNC(=N)C#CC(C)N;IVKMYUXTGHZKEA-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76284;MM76284;C=CC(O)C(CF)CNC;LGLRPOIDTGCJLZ-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76285;MM76285;CC(=O)ON=C(C)CCN;UMERDXOMHDZXET-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76286;MM76286;C=CC#CCC(O)CNC;TWIYVCDDOSYNRW-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76287;MM76287;C=C(C)C(N)CCN(C)C;GGGFWQAPWWZWMU-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76288;MM76288;CC(=O)OC=C(C)C(C)N;XPURUUPMEYAFQJ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76289;MM76289;C=CC(N)CC(C)OC=O;LCBTYSJTGMHFCU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76290;MM76290;CC#CC(=N)NC(C)CN;ONONLGFDZCVNMZ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76291;MM76291;CC=CC(N)C=C(C)CN;RCTYJRIKTPXCSC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76292;MM76292;CC(C)C(NC=O)C(C)O;SXVBBGSKQJUBAY-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76293;MM76293;CCN(C)N=C(C)CCN;UGPLHQXWVGSFEC-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76294;MM76294;C=COC(C(C)O)C(C)O;OCWRZIVBTNONEV-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76295;MM76295;C=C(C)CC(=N)N(C)C=N;JNBJWUURSFEITQ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76296;MM76296;C#CC(C)(C)C(C)(N)CO;UHUZZYZSHKPTCL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76297;MM76297;C=C(OC(C)=O)C(N)=NC;GMERJXKURXCRRC-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76298;MM76298;CCNNC(=NC)N(C)O;BYWCXQVGHPALAJ-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76299;MM76299;CCC(CCN)=NN(C)C;IYTWVTRCPWFABV-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76300;MM76300;CCC=NNC(=NO)NO;SVMGGDVHBSGPQK-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76301;MM76301;CC(C)C(CCO)C(N)=O;RKYRZSJXJAYXBQ-UHFFFAOYSA-N;145.2;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76302;MM76302;C=C(F)C(CN)CN(C)C;OJGPCNAQPSECRM-UHFFFAOYSA-N;146.21;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76303;MM76303;CNN=CCC(O)C#N;GNMYAKBFRGMFHY-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76304;MM76304;CNCC(C)OCCC#N;YIGJMYUGMDKHQU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76305;MM76305;CC(C)(C)C(C)(N)CO;MYIFAFOUNLOFFY-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76306;MM76306;CC=CC(N)CCOC=O;BRRWBALCBNQOKG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76307;MM76307;CC(F)=C(CCN)C(C)O;VXBHQXTUJZJSCV-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76308;MM76308;C#CC(C)(CO)CCN;OEKLOSADQXOXER-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76309;MM76309;CC#CC(=N)NC=CCN;OSMXVBKGDPGFKA-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76310;MM76310;C=CCNN=C(C)CCN;DXCJYOUAHMWVRO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76311;MM76311;CNC(C#N)C(=O)C(C)=O;YIQLKMNGOZMLSD-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76312;MM76312;CC=CC(N)C(C)=CCN;ZNKVRMVEUPRLRY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76313;MM76313;COCOC=C(C)C(C)N;WCYZSJGQAJUFQW-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76314;MM76314;CC#CC(C)C(N)C(C)N;VAMZDNINBZELQR-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76315;MM76315;CON=C(CCN)CCF;KNYDRBTVSWHLIY-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76316;MM76316;CNCC(=C(C)C)C(C)N;ALULAZVVWVZSJR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76317;MM76317;C#CC#CC(O)CNN=C;FBUZMHQQXSZHTQ-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76318;MM76318;CC(=O)N(CCO)C(C)C;RGTAMHUSFDKGSK-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76319;MM76319;C=CC(NC=NC)C(C)O;PFTHPTWFYSAGEM-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76320;MM76320;C#CC(N)(C#C)C(C)CN;BHDYFDCHVOELDI-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76321;MM76321;C=C(CF)C(C)(CN)CN;OISWEUPTMFQIHJ-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76322;MM76322;CC=C(CCN)C(C)O;VURVNLYNJQLPEL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76323;MM76323;C=CC(=C)C(C)(CN)CN;SXLMPQRDYKVYQE-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76324;MM76324;CCC(CN)(CF)CCF;PMYXWBBYIHFZNK-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76325;MM76325;CC(C)C(CC=O)C(N)=O;DVRLMAAFEPHJAQ-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76326;MM76326;CCNN=CC(O)CF;KJTYIPRLCGBGPX-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76327;MM76327;CC(=O)C(CC#N)C(C)O;MBDUFURTHKXJOU-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76328;MM76328;C=CC(=CC)CNNC=O;PTVPGOROWIJGEH-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76329;MM76329;CC(=O)C(NC=O)C(C)C;MMSIWXWRHPLYJO-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76330;MM76330;C=CCC(C=C)(CN)CN;IEBFDFJMGCGJTK-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76331;MM76331;C=NNC(C(=O)O)C(C)C;FHEHVAXODFHRCY-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76332;MM76332;C#CC(CN)(CF)CCF;KHQIICZXCIOQCS-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76333;MM76333;C#CC(CN)(CF)CC=C;OGPKFQSVCWYTBE-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76334;MM76334;N#CC=C(N)NC=O;XCXLABPMENIPQB-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76335;MM76335;CCC(C=CF)(CN)CN;WGDMPBLFEOCEGI-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76336;MM76336;C=COC(C(C)=O)C(C)O;IYEGURKQRGWYJC-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76337;MM76337;C#CC(C=CC)(CN)CN;MXQKQIOGPBAEIW-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76338;MM76338;C=C(C)C(CC)(CN)CN;LETNBLZXRGYUCH-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76339;MM76339;CC=C(F)CC(CN)NC;CLNFXZKDXNEQNS-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76340;MM76340;C=C(CCN)C(C)O;PTZROHOPURBFMW-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76341;MM76341;CC(C)C#CC(CN)CN;IDEBKSILHICWFK-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76342;MM76342;CC(C)N(CC=O)C(N)=O;IZVHKNIABOLEMB-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76343;MM76343;CC(C)N(CC#N)C(N)=O;LEJBHJBQHFZEDX-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76344;MM76344;C#CCNC(C)=NCCN;SLFVEOCWESKFOE-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76345;MM76345;C=C(CNCC)C(C)=CF;SROLSFWUFHKRFS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76346;MM76346;C=CC(F)=C(CO)CCN;FZRODXQRMXPADO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76347;MM76347;C=COCOCC(=N)NN;PMXUGUSVYDFVNL-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76348;MM76348;C=C(C)C(CCO)C(C)=O;SXQAMCXSSQYUOS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76349;MM76349;C=C(C)C(CO)NC=NC;BHQPQIMAZHQXIX-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76350;MM76350;C#CC(=O)ON=CCCN;RPJDZDNJRBRZMZ-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76351;MM76351;C#CC=C(CO)CCN;MJHIHNGXBNOTLN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3-ethoxypentane-2,4-dione;MM02627;CCOC(C(C)=O)C(C)=O;PJILIYKKEZAWDQ-UHFFFAOYSA-N;144.17;0.57;129638360;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76352;MM76352;CNC(C)C=CCCC#N;HOSOVLIEVZMFQY-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76353;MM76353;CNC(C)C=CCC=NN;OPPLGGUPUARKLY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76354;MM76354;C=C(C)N(CCO)C(C)=O;UMXUTYIJHGCHMF-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76355;MM76355;CCCC(CF)C(N)CN;HWXWJEQUKSCWMR-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76356;MM76356;CNCC(OC)C(C)NC;GYHCMJXJGGGOCY-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76357;MM76357;CC#CC(NC)C(=N)NC;VEZFEDBZVNZXBB-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76358;MM76358;C=CNC(=NC)C(N)C=C;XIQCJSBKKLFNRW-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76359;MM76359;C=CC(CN)C(C)(C)CO;MPHGHSJWQHWCOP-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76360;MM76360;C=C(F)C=C(CO)CCN;USEDLFXMFMPWRD-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76361;MM76361;C=C(C)N(OCC)C(N)=O;VIWKMRBCSWAFAW-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76362;MM76362;CC=C(NC=N)OCCN;ILSFJNIEAJYOJN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76363;MM76363;CCNN=C(CC)CCN;QYDMYVFCJVYIDI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76364;MM76364;CCON(C(C)=O)C(C)=O;MMBJCRNJJCDWNX-UHFFFAOYSA-N;145.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76365;MM76365;CCOC=C(CN)NC=N;PLEQWXOTZGGGCE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76366;MM76366;CCON(C(N)=O)C(N)=O;HSKCBAHJPPWWMV-UHFFFAOYSA-N;147.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76367;MM76367;C#CC(C)C(C)C(N)CO;BGAGDTNKMZTXDW-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76368;MM76368;COCC(C=O)=CN=CN;APXJHDZXWCMSOQ-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76369;MM76369;C=C(C)C(CC=O)C(N)=O;VACGZJKQJQJMGS-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76370;MM76370;C=C(C)C(CC#N)C(N)=O;IDLYCVBAIXIQDN-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76371;MM76371;C=CC=C(CO)CCN;RAPFAQILQYVJFI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76372;MM76372;CCOCC(NC)C(C)N;PQJSEDBALQHYKN-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15807;MM15807;C=COC(C(C)=O)C(C)=O;RKBHWNPDLIXFPK-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76373;MM76373;C=CC(NC)C(N)CCF;QDGPJQMLXJLHCW-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76374;MM76374;C=C(C)N(CC#N)C(N)=O;LXXXEIZYULVZJY-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76375;MM76375;C=CC(=NN)C(=C)NC=N;FEMJSMPGSZPFLU-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76376;MM76376;CC(C)=C(CO)CCN;ONQGAXGGYBFXDC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76377;MM76377;C#CCC=C(CO)CCN;UBQWSUGHSYBNAI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76378;MM76378;NCCC=NOCCCF;NIFNFJAUKBCSOC-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76379;MM76379;CC=C(CO)CCN;XGYOPFRHKRFMLA-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76380;MM76380;N#CCN(C(N)=O)C(N)=O;MNXOCKKUMYJOQC-UHFFFAOYSA-N;142.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76381;MM76381;CC(=O)N(OC=O)C(C)=O;JCGVCHQEUSGDDL-UHFFFAOYSA-N;145.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76382;MM76382;C=C(CO)CCN;RTCQIVBCNHJCJL-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76383;MM76383;C=COCON=CCCN;PKTNZQPWAHXJKW-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76384;MM76384;C=NN=CON=CCCN;FYVWZHGVQKEWJA-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76385;MM76385;CC(N)CN;AOHJOMMDDJHIJH-UHFFFAOYSA-N;74.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76386;MM76386;NCC1(CF)CC1;SEGLGKJDVQQUQU-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76387;MM76387;C#CC(CO)ON=CC;VNLZWTPZXOWFQM-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76388;MM76388;C=NN=CCCN;OGXOWWYKUPBYBD-UHFFFAOYSA-N;99.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76389;MM76389;CC(C)(N)C(N)CF;SUDGWEVVSPOXIX-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76390;MM76390;CN=CN=C(OC)N(C)O;YKWOOFCCRKYSIY-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76391;MM76391;CC=CC(C(N)=O)C(C)O;GVWPMPQBHRWEHO-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76392;MM76392;C=CC(C)(N)C(C)N;NOZFBOGZRMOUCS-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76393;MM76393;C#CC(CC(O)C=C)=NN;NWIKKFYPRHPZSS-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76394;MM76394;CCOCC(=NOC)NO;YDPKUSCUOZSROO-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76395;MM76395;CC(C)C(C=NN)C(=O)O;BZPJPELDZACDRF-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76396;MM76396;C=CC(C)(CN)CN;SSAOVXYCIXBGHF-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76397;MM76397;CON=CON=CNO;FCLKIVZEVFAKHB-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76398;MM76398;C=CC(CN)C(C=C)CO;BJAZSLUCAYYCQS-UHFFFAOYSA-N;141.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76399;MM76399;CC(=O)N(C=NO)C(C)C;KLZJAOQRAOHFHV-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76400;MM76400;CC(CN)CO;FVXBTPGZQMNAEZ-UHFFFAOYSA-N;89.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76401;MM76401;C=CC(C)(C=C)CN;RGTCJDXWRGGBCQ-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76402;MM76402;C=C(C)C(C=CF)C(N)=O;ZNDWJLGSBDRASS-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76403;MM76403;NN(C=O)CCO;OEXZWKZZPQSDAW-UHFFFAOYSA-N;104.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76404;MM76404;CC=CC(C(C)=O)C(N)=O;UCVZATDCRPYHMJ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76405;MM76405;CC(F)(C=NN)CCO;PZWFCVPTFWYSKG-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76406;MM76406;C=NNC(=CC#N)CCO;CTUFPKWTQGTUEW-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76407;MM76407;C=CC(N)CCOC;SQKUZTBTFOQBPC-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76408;MM76408;CC(=O)N(C=CF)C(C)=O;OFMDRYUWXAZELM-UHFFFAOYSA-N;145.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76409;MM76409;CC=CN(C(C)=O)C(N)=O;RNAWKYSNQPRKKH-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76410;MM76410;C#CC(C)(CCO)C(C)N;UBPMZOWJRQVQGB-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76411;MM76411;C=NN(C(=N)N)C(=N)N;QVAWRBVRNHUKGH-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76412;MM76412;C#CC(C=CF)CN;CSIKVCAYIOXGGY-UHFFFAOYSA-N;113.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76413;MM76413;C=NN(CC=O)C(C)C#N;SIWXDSNNHZEOLO-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76414;MM76414;C=NNC(=N)NC(=C)OC;XHJLYYNGXJWHEN-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76415;MM76415;CC#CC(CN)CN;SRURVGCVHSIXQS-UHFFFAOYSA-N;112.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76416;MM76416;CNN(C=N)C(C)C;PVXXKIYYGUNSNI-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76417;MM76417;C=NNC=C(CC=O)N=O;VOCMHVWWDDBCGK-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76418;MM76418;CNN=CNN=CC=O;ZFDZWOWJASWXKW-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76419;MM76419;C#CC(CN)C(=C)C;WDSHZAAHTRUIMM-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76420;MM76420;C#CC(=O)CNN=C;GOBMXMUVXRTLTH-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76421;MM76421;CC#CC(C(C)=O)C(N)=O;DGECKKAOXSBYLS-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-prop-1-ynylpropanedioic Acid";MM03247;CC#CC(C(=O)O)C(=O)O;SNDZZWLYTISHSM-UHFFFAOYSA-N;142.11;-0.2;22146573;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76422;MM76422;CCNN=CCCN;DZCNMKLHUWOLRZ-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76423;MM76423;C=C(C=CC(C)N)CO;CPMKKSVIGSBKKR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76424;MM76424;C=C(C=CC(C)NC)CO;IULAGEUSSRDDFC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76425;MM76425;CNCC(C=O)C=CC#N;YVMCRMABVFNNOI-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76426;MM76426;C=CC(=O)C(F)CCNC;TVRKFHIJZXMAPS-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76427;MM76427;C#CC=NNC=NNC;KMTIYKSBDRMHFB-UHFFFAOYSA-N;124.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76428;MM76428;COCC#CCCN;MSFMBFOHOOSZSJ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76429;MM76429;CCC(=CN)C(=NN)OC;NLKHQBRENGEIDH-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76430;MM76430;CC(C)(N)C(=CF)CN;IZZFKSRJMUVGIA-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76431;MM76431;C=NNC(C#N)C(=C)C=O;ORAPABONXMYNFN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76432;MM76432;CNCC(C=O)C=CF;XDRGKSCNSIKHGV-UHFFFAOYSA-N;131.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76433;MM76433;CCC(=CC(N)=O)CCN;PPAHSBBOEZOFFP-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76434;MM76434;C=C(NC=N)OC(C)C;JQMAEBVTZRZMCC-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76435;MM76435;C=C(C=CC(C)N)C(C)O;UPGDOMNADUCRDX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76436;MM76436;C=CC(C=O)CNC;XWAMPNNGOBZVBG-UHFFFAOYSA-N;113.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76437;MM76437;C#CCNN=C(C)N(C)C;JPSYVGXZJANLAV-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76438;MM76438;CNCC(C=O)C=COC;UJNCUKYPDLXCOT-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76439;MM76439;C=C(C)N=C(N)C(=O)C=O;APKCTVHRFJJXJW-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76440;MM76440;CC(CN)(CF)CCF;YMQDQAQUJCNZSM-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76441;MM76441;CC=CC(C)(CN)CN;GIKUTIRJAQGPAL-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76442;MM76442;CC(C=CF)(CN)CN;OSDBJZLDCYCJOL-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76443;MM76443;C=NN=C(C(C)O)C(C)O;NBOBXAXGXJZMHO-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76444;MM76444;C#CC(=N)NC(=C)CC=O;UHAPIOBLRRXFFU-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76445;MM76445;C=C(C)C(C)(CN)CN;QAAWLOPHTGRMDJ-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76446;MM76446;C#CCNN=C(C)COC;MTJKATURGZQHPU-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76447;MM76447;C=CC(C)CC(N)CN;LMHYOJIYXNPMNT-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76448;MM76448;C=C(C#N)NC=NOC;JGGWYIMBRQMMOL-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76449;MM76449;C#CC(=N)NC(C)C=C;WVQAVNYLQJJDDG-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76450;MM76450;CC(C)NN=CCCN;OQJLFSFFWGQRSI-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76451;MM76451;CC=NN(C)C(=NO)NO;UCRYBMHJOMCEOH-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76452;MM76452;CON=CCC=NNC=O;SAKQKVDRRPEYRC-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76453;MM76453;C#CC(C)C=NNC(=N)N;XEHCRADHUSYCNE-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76454;MM76454;C=C(NC=N)OCCF;AXLGIMVCCOCSKL-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76455;MM76455;C=C(C)C(=C)CNCC;KCKOXKNWRPZOMY-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76456;MM76456;C=C(C)C(N)C=CCN;WJTGLGHRGUWPTA-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76457;MM76457;C#CC(=N)NC=CCF;HQEUYRQYRUJRDP-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76458;MM76458;CCN(C)N=CCCN;CAYDXUMMCJPNBT-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76459;MM76459;C=CC(=C)NC(=NN)NN;WOXMLTZGWKBWFK-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76460;MM76460;CNN=C(C)C(C)CN;RKYZLFMFXVYNFF-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76461;MM76461;CON=C(C)C(C)CN;DMGKQUNTLLFZQR-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76462;MM76462;C#CC(O)C(=NN)NN=C;QMEWKUXGIAORDD-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76463;MM76463;CCC(C=NNC)CN;AEUMDYNFTVKZDA-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76464;MM76464;CCCNN=CCCN;YPDKPJNIUNAWIU-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76465;MM76465;C=CCNN=CCCN;ROVINWHLKHYRMX-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76466;MM76466;CN=CNC(=NN)NC;QFWPNUOTUFNRNH-UHFFFAOYSA-N;129.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76467;MM76467;COC=NN=CCCN;LCQXBTCFNGTMJT-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76468;MM76468;CC(=O)C(=CCO)C(C)O;HBCNTGWZQAIZTG-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76469;MM76469;CCC=C(C(N)=O)C(C)O;AWKVUFLDOSJWFX-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76470;MM76470;NCCC#CCOC=O;GBPQZMRYVWQESL-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76471;MM76471;C=NNCC(=O)CC#N;PUDCBUFRYUKKOA-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76472;MM76472;CCC#CC(O)C=NNC;GPIKWLZUJGUQRA-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76473;MM76473;C=C(CN(C)C)C(C)(C)N;GPUKHCYHDNIJDR-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76474;MM76474;C#CC(=N)NC(N)=CC#N;DDFZGMXSBYPECE-UHFFFAOYSA-N;134.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76475;MM76475;CC=NOCC(O)CF;XOTAJHFKRHDUJW-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76476;MM76476;C#CC(O)CN(N)C=O;GFFGRBXDOAMBRN-UHFFFAOYSA-N;128.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76477;MM76477;C=C(C=CC)CNNC=O;AMAYWRBLJFSQBY-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76478;MM76478;C=C(N=CNN)NC=NC;PJOYBRFTQCIGDW-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76479;MM76479;CC(=NO)ON=CCCN;KSTBESWGKLHCHI-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76480;MM76480;C#CCOC(CO)ON=C;KVEQYBQFYRUJPX-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76481;MM76481;C=NN(CC)C(C#N)C=O;PBAFZJVZMVYVLE-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76482;MM76482;CON=C(C(C)=O)N(C)O;LMOSQLKBDIBRFC-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16296;MM16296;CC(O)C(=CC=O)C(=O)O;MPVKURDWDYHUCP-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76483;MM76483;C=CC(C)(N)CC(N)CF;GZCAOCDCVONPTF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76484;MM76484;C#CC(O)(C#C)CCNC;MIAWJCNRLRHHGJ-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76485;MM76485;C=C(CN)CC(C)(N)CF;RMICNAGTSAMYKK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76486;MM76486;C#CC(C)(N)CNC(C)C;KNBBRTPPIVQDGD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76487;MM76487;C=CC(C)C(C#N)C(=N)N;MUISBPNKHXUOKP-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16164;MM16164;CN(C)C(=CC#N)C(=O)O;FGVQJIRLRXBZDY-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76488;MM76488;C=CC(C)(CN)NC(C)C;CUCBOBSJQPQYAC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76489;MM76489;CC(C)=CC(C)(CN)CN;XLOGXQLVVSVELY-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76490;MM76490;CN(C)C(=NC=O)C(N)=O;UPTMTIPPVIRDSH-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76491;MM76491;CC(F)=CC(C)(CN)CN;UVZUCUNJMKZFSX-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76492;MM76492;C=CCCN(C)CC(C)N;FGMDNEHQZIWXMX-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76493;MM76493;CC(N)(CF)CC=CCN;AOZISMSPUNAIHK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76494;MM76494;CCC(C)C(N)C(O)CF;DNUZEUDTIQVWTE-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76495;MM76495;C=C(C)C(=NC=O)N(C)O;VFKHLWAUUSXCEL-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76496;MM76496;CC(=O)C(=NC=O)N(C)O;NQUMYEKITMINOZ-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76497;MM76497;CCC(CNC)C(O)CO;SQGNQCQKVUMRKH-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76498;MM76498;CCNC(=O)N(C=O)NC;YBXGRQGYEZCRJI-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76499;MM76499;C#CC(C)(N)C#CCCN;PHHBKKMJMIDDMU-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76500;MM76500;COCC(O)CNC(C)C;SNNSWIUABLWXGI-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76501;MM76501;C=NN=C(C(=O)O)N(C)C;OEVLNFHFYQHEGC-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76502;MM76502;C=NN=C(C(C)=O)N(C)O;MLBLNUOACONYPZ-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76503;MM76503;CC(=O)C(=CCO)C(C)=O;XVKQIXGMOKITNA-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76504;MM76504;C=C(C)C(=CNC)C(C)=O;CZVOOLKZKYXLEI-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76505;MM76505;CNC=C(C(C)=O)C(C)=O;CKCVJCBJRIYYDZ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76506;MM76506;COC=C(C(C)=O)C(C)=O;JVJUIMLDVRHIOS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76507;MM76507;C#CC(=O)C(CO)NN=C;WCNXJQHPFJUSCF-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76508;MM76508;CCC(=CCCN)NC=O;JNXAEXSNTNODTN-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76509;MM76509;CNN=C(C(C)=O)C(N)=O;XGEGZTJUZBOKJS-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76510;MM76510;CNCC(C=CF)C(C)=O;KBTSLFRYOQVPJC-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76511;MM76511;C=CC(CNC)C(=O)CF;WGKNQPPXOUFZAX-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76512;MM76512;C=CC(N)(C#CC)CCN;XEOUNTFNXDTHGJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76513;MM76513;C#CC(=C)C(=NOC)NO;CTORLHIUCKLBNM-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76514;MM76514;C=CC(N)(CCN)C(=C)F;UDKJMMVUVCOYIX-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76515;MM76515;C#CC(C)=NNCC(C)O;SYSZARVIVLYUPT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76516;MM76516;CC(=O)C(=CC#N)C(N)=O;VAKFUPJJTGUDFV-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76517;MM76517;C#CC(CCN)C(O)C=C;JEMMDQAXHFWXFQ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76518;MM76518;CN(C)C(C#N)C=O;ZAQDNSPVKOMESO-UHFFFAOYSA-N;112.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76519;MM76519;C#CC(=O)CC=NNC;SBJXTVKCHIXHJH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76520;MM76520;C#CC=C(C(C)=O)C(N)=O;GRJKWUJAFVUQNZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76521;MM76521;C=C(C)C(N)C=C(C)CN;YVPXKOZWFLUQBF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76522;MM76522;COC=C(C)C#CC(=N)N;AARLNHAMEMAXJY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15365;MM15365;CC(C)=C(CCF)C(C)O;KBOGDXJOQIIOJS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76523;MM76523;C=CC(=O)NC=CCCN;AHEPIPOAYCWXCE-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76524;MM76524;CNC(C)C=C(C)C=NN;BHOKHMVWTRBBGI-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76525;MM76525;C#CCN(O)C(=N)NCC;GCCUUQUKOIWXFJ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76526;MM76526;CC(=NN(C)C)C(C)CN;BAEOUAYYIOKZAZ-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76527;MM76527;CC(C)CN(C=N)N(C)C;TXKHKDZCKBXBIW-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76528;MM76528;C=C(C)C(CN)NC(C)C;MWIQYSZGCJJXEW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76529;MM76529;C#CCC(N)(CC)C(C)O;POYRWQWZCUFYSE-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76530;MM76530;CC(C)=C(NC=O)C(C)O;JPSBXBDAGOVRGL-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76531;MM76531;CC(F)=C(NC=O)C(C)O;LSYZYDRIVPHJQP-UHFFFAOYSA-N;147.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76532;MM76532;C=CN(N)C(=NC)N(C)O;IIDKSMDXVGRHML-UHFFFAOYSA-N;144.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76533;MM76533;C=C(C)CNN=CCCN;VWMVPWWFPGCJOL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76534;MM76534;CC(=O)C(CCF)=C(C)C;MJIWOWIVFIVGTI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76535;MM76535;CC(=O)C(CCF)=C(C)N;MEHNSQWOZKQXLY-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76536;MM76536;CC(C)=C(CCO)C(=O)O;WGUKZHODZLDHOI-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16244;MM16244;CC(N)=C(CCF)C(=O)O;GCEVDNXDJWAQIY-UHFFFAOYSA-N;147.15;0.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76537;MM76537;CC(=O)OCC#CCCN;ZQCKMADASGXLFM-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76538;MM76538;C#CCC(N)(CO)C(C)C;KWBNJLIGMUOGLM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76539;MM76539;C=CCN(C)N=CCCN;PNIJUBNQCQVRGO-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76540;MM76540;CC=CN(N)C(=NC)NO;FMDJTJDIYVXOPA-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76541;MM76541;CC(=O)C(CC#N)=C(C)N;HARIBJFEZOIBQX-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76542;MM76542;C#CC(C(=N)N)C(=N)NO;BTXHAWXVGOSELH-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76543;MM76543;CC#CC(N)C#CCCN;RYCRCCYSFUPAFY-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76544;MM76544;C=C(CNC)C(N)CCC;VWAHSMBKOIYJOS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76545;MM76545;CCN(C=O)C(=N)N(C)C;BXUDNHRQFIJRIJ-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76546;MM76546;C=CC(C)CC(N)C(C)O;FPHJDNJDQHCPOT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76547;MM76547;N#CCC(C(=O)O)=C(N)N;NZDJEDROHHDGHK-UHFFFAOYSA-N;141.13;-0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76548;MM76548;CN=C(NC)NN=CCO;ARYCXJBTRJGYEQ-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16376;MM16376;CC(F)=C(NC=O)C(=O)O;BBFHKRDMNAFAMW-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76549;MM76549;C=NNC(C=O)CC#N;PNRCHQXJDPEYFT-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76550;MM76550;C=C(F)C(N)C#CCCN;IBDBLPJTJZUTKO-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76551;MM76551;C#CC(CCN)C(C)O;BVHPQIDFPDYQMZ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76552;MM76552;C=CC(CNC)C(=O)CC;MBTGZMPFKRIBIW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76553;MM76553;CN(N)C(=NC=N)C(=N)N;JWHGJPMQDPBZJZ-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76554;MM76554;CC(F)C(C=NO)=C(N)N;YIBCPBRNHGZXFT-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76555;MM76555;C#CC(O)CC=CC(C)N;MQFPNEAIRXEUGB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76556;MM76556;C=CC(CO)(CF)CCN;QQXLBIIVBGRCJT-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76557;MM76557;C=CC(CNC)C(C)=O;ABOBTHMNKLVPBW-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76558;MM76558;CC(C)=C(C(C)N)C(C)N;RHBFNCIDBKMGFV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76559;MM76559;C=NNC(=N)C(C#N)OC;SXLGVSVKKFXTDJ-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76560;MM76560;CC#CC(C(=O)O)=C(N)N;MHHRGWPVOMOQED-UHFFFAOYSA-N;140.14;-0.78;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76561;MM76561;CCC(N)C(C)(CN)CN;HWPAHQOIJAQAON-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76562;MM76562;C=C(CC)C(C)(CN)CN;RIQQFOZCMRNSKR-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76563;MM76563;CNN=CNN=CC(C)=O;JFQOZPDYVHMFDH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76564;MM76564;C=CC#CC(C)(CN)CN;XOOUEANAVYNWTA-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76565;MM76565;C=C(C)N(C(C)=O)C(C)C;JEMIGGKVVYQQCC-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76566;MM76566;C#CC(N)CNC(C)CC;DCRAFNDLWSUVFB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76567;MM76567;CC(=O)N(C(C)=O)C(C)C;WCEGPMFZWQIRAR-UHFFFAOYSA-N;143.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76568;MM76568;CC(=O)N(C(N)=O)C(C)C;XQQBRCDSDHXNAP-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76569;MM76569;C=CC(C=C)CC(N)CN;WJFZVMCTSYPUFV-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76570;MM76570;C#CC(C=C(C)CF)CN;TYORTXWHMWPPNY-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76571;MM76571;C=C(C)N(C(C)=O)C(C)=O;COPCNDQMNQPAKY-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76572;MM76572;CC(=O)N(C(C)=O)C(C)=O;FQTCUKQMGGJRCU-UHFFFAOYSA-N;143.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76573;MM76573;CCC(C=NN(C)C)CN;CSJYFKHASRSJJR-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76574;MM76574;C=NNC=C(N=O)C(C)=O;OBKBPPZFACWIAQ-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76575;MM76575;C#CC#CC(CO)CCN;TVHUDUKHVYNOKL-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76576;MM76576;CCNN=CC(=O)N(C)N;YSHUBYMIFHVKMW-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76577;MM76577;N=C(N)N(N)C(N)=O;GXCRKCZEKJYZFE-UHFFFAOYSA-N;117.11;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76578;MM76578;C=c1cc(C)c(=C)c(C)c1;JJEUJYIFTJNVCH-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76579;MM76579;C=c1cc(C)c(=C)cc1C;XZXZSWBOJJOMNX-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76580;MM76580;C=CC(=C)C(C)C(N)CN;WRRZPJFADZZXCW-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76581;MM76581;CCN(C)C(=N)N(C)C=O;TVHDIGILAZXFMJ-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76582;MM76582;C=CN(C)C(=N)C#CCN;JKIJJYFWYKYIBY-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76583;MM76583;CCNN=C(C)C(C)CN;LGDPJDKLPMRBGQ-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76584;MM76584;CC(=NOC=O)C(C)CN;NCSBUWDQLHPAHN-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76585;MM76585;C#CCCNCC(C)NC;YSXJJWLKOIBLLX-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76586;MM76586;C=CC(N)CCOCOC;RYLXBKJCIWQHKJ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76587;MM76587;C=NOC(C)=NNC;GFANLKKDXLTPDI-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76588;MM76588;CC(CF)NN=CCCN;PHKSUDSBSNQHRU-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76589;MM76589;C=NNC(=N)C(F)=CN;JYLCUXJBVFFVMH-UHFFFAOYSA-N;130.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76590;MM76590;CC(C)(C)OC=NN;DGPSAJJKPAZHHS-UHFFFAOYSA-N;116.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76591;MM76591;C=CC(C)NN=CCCN;WPGYOONSKPPJEP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76592;MM76592;C=CCC(C=C)C(N)CN;QCILTWYYZOHWCN-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76593;MM76593;C#CC(CNC)C(=C)OC;FLROYHZKKXXPJU-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76594;MM76594;C#CC(NCC)C(=N)NC;IXFIFYNHXYLUBJ-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76595;MM76595;CCC(C=CF)C(N)CN;AGQQOCMDLKMQAD-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76596;MM76596;CNN=C(CF)C(C)CN;VFRVVIKTYCEFLH-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76597;MM76597;CON=C(CF)C(C)CN;DHHYWASLZYGPTK-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76598;MM76598;CNCC(CCC#N)OC;ZAFAOAXBNBWLGM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76599;MM76599;C=CC(=NN)C(=O)N(C)N;ZEDUOZAVKGRHRL-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76600;MM76600;CCC(O)(CO)C(C)C#N;PFGSHMKLNFWQMX-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76601;MM76601;CCC(O)(CC)C(O)C=O;SYXLBDRTJOLKJD-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76602;MM76602;CCC(O)(CC)C(O)C#N;WJNKJQVEKYELMM-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76603;MM76603;C#CC(CCN)NN=CC;GGJGDENDMDHNOD-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76604;MM76604;C=CC(C(C)C)C(N)CN;AVOQWVLUQQHUCV-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76605;MM76605;CNC(C)(C)COCCO;YRCNPJSEQXYKJT-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76606;MM76606;C=NN(C=N)C(=N)C=NN;MMNRUINMPNPEFM-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76607;MM76607;C=C(C)C(CC)C(N)CN;KOPOUESRUHDLQT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76608;MM76608;C#CC#CCNN=C;QLBIXOOPEHNRKJ-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76609;MM76609;C#CC(C)C(C)(CO)CO;MHQLNIWQJSYATP-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76610;MM76610;C#CC(=C(C)CN)C(C)N;JXASDHBXRBWTHD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76611;MM76611;C#CC(O)C(C)(CC)CO;MLNCYYZTRMFROL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76612;MM76612;C=NNCC(CN)C(=C)C;VFNUXIVXCVDNIY-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76613;MM76613;C#CCOC(OC)C(=N)N;CUPDOSSUAFLAQP-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76614;MM76614;C#CC(C)C(F)(CO)CO;RVVXRCSNAUVZOK-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76615;MM76615;C#CC(CO)CCN;ACHYDCKIFBRMGT-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76616;MM76616;C=C(CO)C(CC)CN;KBDDJIKBLLZOLC-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76617;MM76617;C=NNC=C(C#N)COC;IPWGNPYXVCQVCZ-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76618;MM76618;C=CC(CN)C(C)C(C)O;LNWNDQHGVURQBH-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76619;MM76619;CC(O)CNC(C)CCF;DJCXFQUDIJAKCA-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76620;MM76620;CCC(C)(C#N)C(O)CO;CXZZHBACIOJRBS-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76621;MM76621;C=C(OC)C(CO)CNC;LMAUZESINHKTGY-UHFFFAOYSA-N;145.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76622;MM76622;CCC(O)C(C)(C#N)CO;SICLORNDOGGGCH-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76623;MM76623;COC=CN(C=N)C(C)C;FZGLCESHKYGXCG-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76624;MM76624;CCC(O)C(O)(C=O)CC;XEUYMGVAHHTCEH-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76625;MM76625;CCC(=NC)NNC=NC;BEQJIJHKNAPLEK-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76626;MM76626;CC(N)C=CC(CO)CF;PBKYMHCMQIRPLN-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76627;MM76627;CCC(C=NOC=O)CN;TWTLERUYZYCNOJ-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76628;MM76628;C=CC(C=CCNC)NC;WHFMSSYLOOOYLR-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76629;MM76629;CC=NNCC#CC=O;NXUFTPLOHMEIDP-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76630;MM76630;C=CC(CN)C(C)NN=C;HVPUNPORZCLUME-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76631;MM76631;CCN(C=N)N(C)CC#N;WSTLHUOHCIEMJU-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76632;MM76632;CCCCNN=CCCN;UXDSXDDEUOTGPF-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76633;MM76633;CC(C)=NNC(=NO)NO;MQTFLFSSGYILHN-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76634;MM76634;CC(C#N)C(C)(C=O)CO;QZIAFXFDOLHTCU-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76635;MM76635;CC(C#N)C(C)(C#N)CO;XUIUVSZFDBOANH-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76636;MM76636;CCC(C)(C#N)C(O)C=O;SGIRJGKOTMWKHJ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76637;MM76637;C=CC(O)(CO)C(C)C#N;BTTNEIQUTMLYIF-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76638;MM76638;C=CC(C)C(O)(C#N)CO;AHEDXDSPWCCESX-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76639;MM76639;CC(C#N)C(O)(C#N)CF;UYJKHMKDKJWWCE-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76640;MM76640;CC(C#N)C(F)(C#N)CO;HSEPTJOTQMWCJK-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76641;MM76641;C=CCCNN=CCCN;KGCGWPRIEGTYMK-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76642;MM76642;CNCC=NN=CCCN;AQTPKLYZTORVEJ-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76643;MM76643;C=C(N=CNO)NC(=N)N;KZHHBLZNKJQXCY-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76644;MM76644;C=CC(=NO)N(C)N=CC;WHCMAMSMHVVXGF-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76645;MM76645;C=CC(C)(CO)N(C)C=O;UEESTLJFMQTKHP-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76646;MM76646;C=NNC(CO)C(O)C#N;UHYYYHPDLACLOK-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76647;MM76647;C=NN(C)C=NCC#N;ZDUYENOJOJGKCM-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76648;MM76648;COCCC(C)NCCO;IQESVXOFEAWVLL-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76649;MM76649;C=C(C)C(CN)CC(C)O;ZMEIAMKBBBUTNK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76650;MM76650;C#CC(O)C(C)(C#N)CF;YPQJNVKFCUMLOL-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76651;MM76651;CC(F)C(CC=O)N=CN;HTOBCVAGGFUXCQ-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76652;MM76652;C=NNCC#CCC#N;LFIZRBLHLIHDBM-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76653;MM76653;CN=C(C#CCCO)NC;QCVFMSAHKQEPJR-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76654;MM76654;C#CC(C)C(O)(C=C)CO;NQQDGJFNLPFJCW-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76655;MM76655;C#CC(C)C(O)(C=O)CF;HWRSZSVJLFVBJS-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76656;MM76656;C#CC(O)C(O)(C=C)CC;OHIYILRAHYZIOW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76657;MM76657;C#CC(C)C(CCO)NC;WOYUEXBIJMFKFA-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76658;MM76658;C#CC(C)(CC)C(O)CO;CGFTUAPTFQLHOT-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76659;MM76659;C=NOC=NN=CCCN;MSCAUQFJHCUFHE-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76660;MM76660;C#CC(O)(CC)C(C)CO;FEIZXDLLKGFVHB-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76661;MM76661;C=CC=CCNNC=O;MUBCLWGQDYDLEP-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76662;MM76662;NC=CC=NN=CCCN;ZINXNSCNQWEGSK-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76663;MM76663;C#CC(C#CCO)C=NN;SDBFHRSIWQGWPN-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76664;MM76664;CC(C)(CN)CF;LFENAMANOFPPRE-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76665;MM76665;CCCC(N)CN;LPGZAWSMGCIBOF-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76666;MM76666;C#CC(C)(CC)C(O)C=O;HXSXHGYAZCXONN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76667;MM76667;C=COC(CO)ON=CC;CAFYRLAWNIISMG-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76668;MM76668;C#CC(O)(CC)C(O)C#N;MKLBQWLCVOOTPM-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76669;MM76669;C#CC(F)(CO)C(C)C#N;LMGVNXPXFAHDIW-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76670;MM76670;CON=C(NOC)C(C)O;PMFCTTSKLODBAJ-UHFFFAOYSA-N;148.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76671;MM76671;C#CC(C)(OC)C(O)C#N;ZXOIKZJOMRMYAF-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76672;MM76672;C#CC(C)(CO)N(C)C=O;KAJDNHPVAUXMNI-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76673;MM76673;NCC(C=C(F)F)CCO;XHNSVBFUJICGHG-UHFFFAOYSA-N;151.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76674;MM76674;C#CCC(N)C(C)CCO;ORSVNHXVTJYRQG-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76675;MM76675;C#CC(O)C(C)(C#C)CO;YKQHKUNVFJMLAW-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76676;MM76676;C#CC(CN)CN;WDHIUDDRDHALCZ-UHFFFAOYSA-N;98.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76677;MM76677;C#CC(C)(C=CCO)CN;BSTJITGJXZIFCH-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76678;MM76678;CC=NOCC(F)CO;XYEZWDLTVRPGBV-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76679;MM76679;C=NNC=C(C#N)C(C)O;SWMAUYSKHUHCHG-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76680;MM76680;C#CC(CN)CC=CCO;AHSWPXXBOHTNLI-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76681;MM76681;C#CC(C)C(O)(C#C)CO;GSRDJPUMQYXCDY-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76682;MM76682;C=NNC=NC(=CF)CO;AHSYIWRTDONQNV-UHFFFAOYSA-N;145.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76683;MM76683;CC(C#CCCO)CN;BBRABNUKCOPXDU-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76684;MM76684;CN(C)C(=N)NN=CNN;RCGQQJMJYWGMLI-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76685;MM76685;C#CC(O)C(O)(C#C)CC;PDLFGIFGSPCDPO-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76686;MM76686;CNC(=NC(=N)OC)NN;UYJFOBUFGYEMSN-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76687;MM76687;C#CC(C=C)CN;QIYDZDWZDIMVEW-UHFFFAOYSA-N;95.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76688;MM76688;C#CC(O)C(C)(C#C)OC;LEWGGHXZUSVGKP-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76689;MM76689;C#CC(F)C(C)(C#C)OC;XVSSUVSKPBGCSF-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76690;MM76690;CC(CO)C(C)(C#N)C=O;KIFDPPTVJAUODM-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76691;MM76691;CC(CO)C(C)(C#N)C#N;HLHFWGJJOKGHJK-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76692;MM76692;CC(C#N)(C#N)C(O)CO;XTKMXRPLPQJWKI-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76693;MM76693;CCC(C)C(O)(C=O)C=O;SJJGDELSXCTWQV-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76694;MM76694;CCC(C)C(O)(C#N)C#N;NXGDUDDQYJBOLP-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76695;MM76695;CCC(O)C(O)(C#N)C#N;KPRJRRPLJAGUAV-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76696;MM76696;CC(F)C(C)(C)CN;ULIQRXWIDQIFEC-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76697;MM76697;CC(C)CC(N)CN;LGNSOKKCXYBTOL-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76698;MM76698;C=C(CNC)C(C)C;PLVCKLSLZLCGFW-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76699;MM76699;CNCCC=NOCC=O;LFCXXQZBYACPEE-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76700;MM76700;COC(C)C(C)(C#N)C#N;TVQHOKTVJSUEEB-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76701;MM76701;CC(C=O)C(C)(C#N)C#N;RMMQOVGWOWKJPH-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76702;MM76702;CC(C#N)C(C)(C#N)C#N;YHPCQJBWJUJHKS-UHFFFAOYSA-N;133.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76703;MM76703;CC(C#N)(C=O)C(O)C#N;DKPRTOJLHULATR-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76704;MM76704;CC(C#N)(C#N)C(O)C=O;AOTOMQAOYDNAPJ-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76705;MM76705;CC(C#N)(C#N)C(F)C#N;DODWRUZAAZKOSR-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02256;MM02256;CC(C#N)(C#N)C(F)C=O;PGCHJTFJHQKVSR-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76706;MM76706;C=CC(O)(C=O)C(C)C#N;IZXRYWKAXASKJX-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76707;MM76707;C=CC(C)C(O)(C#N)C=O;QKDCFMPKLMZDKL-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76708;MM76708;C=CC(C)C(O)(C#N)C#N;ZONPFPBGMNDAQR-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76709;MM76709;CC(C#N)C(O)(C#N)C=O;VNMURNTXZYUCKK-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76710;MM76710;CC(C#N)C(O)(C#N)C#N;WSLKVRDVRUYBRN-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76711;MM76711;C=CC(O)C(O)(C=C)C=C;DBOSKPSWHFEFFY-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76712;MM76712;C=CC(O)(C=C)C(O)C#N;SQPISAINYYUZRD-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76713;MM76713;C=CC(O)(C=O)C(O)C#N;YXVJTGHUKKVXCL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76714;MM76714;C=CC(O)(C#N)C(O)C#N;OLWNBJBJKSPTQP-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76715;MM76715;N#CC(O)C(O)(C#N)C=O;ANLORBHARBVZLC-UHFFFAOYSA-N;140.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76716;MM76716;N#CC(O)C(O)(C#N)C#N;BEXGQEYMCPPPOP-UHFFFAOYSA-N;137.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76717;MM76717;C=CC(O)(C#N)C(F)C#N;NGCCVNDSJJFDCP-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76718;MM76718;C=CC(F)(C#N)C(O)C#N;WAENKEFONCEAEC-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76719;MM76719;N#CC(O)C(F)(C#N)C#N;UHCOUZNTKYPPHC-UHFFFAOYSA-N;139.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76720;MM76720;CNCC(C)=C(C)C;MBZUZXQXDBJANN-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76721;MM76721;CN(C=O)C(C)(C#N)C#N;KTLXNDXSBPULSA-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76722;MM76722;CC(C#CC(C)CO)CN;TYWPODKMEXCKGE-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76723;MM76723;CCC(C)(CN)CF;JLNHZCVUPIBAAU-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76724;MM76724;C#CC(O)C(C)(C#N)C=O;DIGABXFPTSCTPD-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76725;MM76725;C#CC(O)C(C)(C#N)C#N;WVFCKWZGEZVVKQ-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76726;MM76726;C#CC(F)C(C)(C#N)C#N;PODMACQJTSITJN-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76727;MM76727;CNN=CN(O)CC#N;UWQJOMZKPGWGOW-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76728;MM76728;C#CC(C)C(O)(C#N)C=O;IWVHVIONHKJWRA-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76729;MM76729;C#CC(C)C(O)(C#N)C#N;XLAXHZYEVULDJN-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76730;MM76730;CC(C#CCCCO)CN;XFDOUSUDGSGWNL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76731;MM76731;C#CC(O)C(O)(C#N)C=C;MKBKLHYSGIWXSJ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76732;MM76732;C#CC(O)C(O)(C#N)C#N;IKQSKDGJVRYOFC-UHFFFAOYSA-N;136.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76733;MM76733;C#CC(F)C(O)(C#N)C=C;HBUGWXXOOHQLAE-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76734;MM76734;C#CC(F)C(O)(C#N)C#N;GKAWYFIVNOANQA-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76735;MM76735;C#CC(O)C(F)(C#N)C#N;SJDWRAYFFXDWGU-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76736;MM76736;C#CC(C)(C#N)C(F)CO;YJHRBXBPWODPJK-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76737;MM76737;C#CC(C)(CN)CF;SHTJRYQMRPTHAQ-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76738;MM76738;C=CC(C)C(N)CN;ICVFUPDPNAHTGZ-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76739;MM76739;C#CC(O)(C=C)C(C)CO;GTBOOKZJEDPEMZ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76740;MM76740;C#CC(O)(C=C)C(O)CC;AYNMQBNNQFZHJM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76741;MM76741;C#CC(O)(C#N)C(O)CC;NTSWJGIJBVLDRH-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76742;MM76742;NCC(N)CCCF;PIBXGUGFGKJQSB-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76743;MM76743;C#CC(C)(C#N)C(O)C=O;NEHIFJWMIJREOL-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76744;MM76744;C#CC(C)(C=O)C(O)C#N;RDZNZQNULMDKKF-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76745;MM76745;C#CC(C)(C#N)C(O)C#N;NPWGEKTVTJARPV-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15297;MM15297;C#CC(C)(C#N)C(F)C=O;VPZSLVWROJVFKE-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76746;MM76746;CCON=C(COC)NO;OWMPDCGKGKRTFC-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76747;MM76747;C#CC(O)(C=O)C(C)C#N;VFHXITAFKSTWPZ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76748;MM76748;C#CC(O)(C#N)C(C)C=O;KZNPFYUIORSNRK-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76749;MM76749;C#CC(O)(C#N)C(C)C#N;ROBTXVSHNJOSKE-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76750;MM76750;C=C(CO)CC=CC(C)N;HQKXOOOKMQLZBP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76751;MM76751;C#CC(O)(C=C)C(O)C=C;ZMLNQIWZCARYJF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76752;MM76752;C#CC(O)(C=C)C(O)C#N;JMELFRABSZQAHN-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76753;MM76753;C#CC(O)(C#N)C(O)C=C;BHDBHJPZMPWCOR-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76754;MM76754;C#CC(O)(C#N)C(O)C#N;PJMBIAZLXSNTED-UHFFFAOYSA-N;136.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76755;MM76755;C#CC(O)(C#N)C(F)C#N;MMGABYXBBXRYSK-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76756;MM76756;C#CC(F)(C=C)C(O)C#N;YDSYMPIUKIGISF-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76757;MM76757;C#CC(F)(C=O)C(O)C=C;LITRIAGPFQIQDD-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76758;MM76758;C#CC(F)(C#N)C(O)C#N;IHKGLEHWAGCDOX-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76759;MM76759;C=CC(=C)CNCC;GCTREDYKTQZIME-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76760;MM76760;CNN=CC(C)CN;USYVDEWDXFASBJ-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76761;MM76761;C#CC(C)(C#N)N(C)C=O;KUMNKBMJPLADFZ-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76762;MM76762;CCC(=CCCN)C(N)=O;GBURYXMYPNSUTQ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76763;MM76763;CON=CC(C)CN;PMNJRHQHCFTINF-UHFFFAOYSA-N;116.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76764;MM76764;C=NN=CC(C)CN;UPBPAIHOKCGFBU-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76765;MM76765;C#CC(O)C(C)(C#C)C=O;BJNUMVDZOMUYHK-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76766;MM76766;C#CC(O)C(C)(C#C)C#N;MOLLRSZMWXZDFY-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76767;MM76767;CC(C#CCF)CN;KSWPMKVKJZZDEJ-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76768;MM76768;CCN(O)C=NC(=N)C#N;GSALAOOCCTWVTM-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76769;MM76769;C#CC(C=CC(C)N)CO;BKIBHAWAQRIAFL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76770;MM76770;C#CC(O)C(O)(C#C)C=O;RMEDUTAGTNFJFV-UHFFFAOYSA-N;138.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76771;MM76771;C#CC(O)C(O)(C#C)C#N;GACQHFGRLFTCIM-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15323;MM15323;C#CC(F)C(O)(C#C)C=C;NXYLQHCGWGIXAY-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76772;MM76772;C#CC(F)C(O)(C#C)C#N;YELDVTIYBMXRAR-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15328;MM15328;C#CC(O)C(F)(C#C)C=C;XZMWSQHEDRZASV-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76773;MM76773;C#CC(O)C(F)(C#C)C#N;XZSGAIMOPVBNPN-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76774;MM76774;C#CC(C=CC)CN;LPXBSKUFUQWEPB-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76775;MM76775;C=C(CO)CNN=CCF;QPBGRSIPCKRMLL-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76776;MM76776;C#CC(C)(C#C)C(O)CO;UUGVYOGFBRXISZ-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15348;MM15348;C#CC(C)(C#C)C(F)CO;PCQSLHSJZFMXBR-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76777;MM76777;C=CC(NC)C(C)N;YXXSHILKOAZPIV-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76778;MM76778;NN=C(C=CF)CCO;LBWNWHSYPYHUOT-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76779;MM76779;C#CCC#CCCN;MYMLORRLRPXLDR-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76780;MM76780;CC(CCO)=NNCC#N;XAEICLNPKHMIGZ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76781;MM76781;CC=NN=CNCC=O;WPWFJQPEKOUIIS-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76782;MM76782;C#CC(OCC)ON=C;IBZPGUCJGHPKLH-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76783;MM76783;C#CC(O)(C#C)C(O)CC;CGCWMSDHVHXGRO-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76784;MM76784;C#CC(F)(C#C)C(O)CO;MPPIDGFEGJQIRS-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76785;MM76785;C=NN(C)C(=NNC)OC;QRLJOOGDCJYMJR-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76786;MM76786;C=C(CNC)CC(C)F;ZWNASPPJTWFHTO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76787;MM76787;C#CC(C)(C#C)C(O)C#N;PYDGSVXJVOBHKH-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76788;MM76788;C=C(CNC)CC(F)F;HYWBMZROWQQTJN-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76789;MM76789;C=NN(C)C(=NN)OCC;FEKRRXFKOAUICA-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76790;MM76790;C#CC(O)(C#C)C(C)C=O;KMGNDBYPLFEKBB-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76791;MM76791;C#CC(O)(C#C)C(C)C#N;MXFPJDOZTCVLJZ-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76792;MM76792;C#CC(O)(C#C)C(O)C#N;CCHFZJRNCVAPCW-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76793;MM76793;C#CC(F)(C#C)C(O)C#N;NUUMTZVGGXZWAZ-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76794;MM76794;CCCC(C)(CN)CF;WPBTWCJVDSHSCE-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76795;MM76795;C#CC(C)(C#C)N(C)C=O;YJAQBHKYUWKNMC-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76796;MM76796;C=CC(N)(CC)C(C)N;JEFUOLAWMDLKPN-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76797;MM76797;CC(CF)CC(N)CN;SKUHJRDGULQOSJ-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76798;MM76798;CNN=C(C)C(=O)N(C)N;HPVODZNUQFYTKL-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15367;MM15367;C#CC(O)C(C)(C#C)C#C;IMDOIAQSUMHBPL-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76799;MM76799;C=CC(N)CC(N)C=C;KACVOJCFPQKCGF-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76800;MM76800;C=CC(C)=CC(C)NC;BDTRARXZVCIQIM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76801;MM76801;CC(N)C=CCCCO;FYAAJMFYZHHIOC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76802;MM76802;CCNN=C(C=CN)OC;YVVKIQXKVMDEFF-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76803;MM76803;C#CC(O)C(O)(C#C)C#C;BTODWHAWBSQTOE-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15324;MM15324;C#CC(O)C(F)(C#C)C#C;RIYFITMTMVWSSH-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76804;MM76804;CC(F)C#CC(C)CN;XRRFWYZELSBLMD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76805;MM76805;C=C(C)C(C)C(N)CN;ZOKZSUCNJMZBKM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76806;MM76806;C=C(C)C(=C)C(C)NC;QNUDZGBEROJPMX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76807;MM76807;COC(=NN)C(C)=C(C)N;RTUURTJETAHPBN-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76808;MM76808;CCC(C)(CO)C(=O)CO;VMKVZGZBTVQDAV-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76809;MM76809;C=CCCCC(N)CN;XGXONGXEPHWGKF-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76810;MM76810;C#CCCCC(N)CN;FGOAYGYINUSNLE-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76811;MM76811;CN=CNNC(C)=NC;CHHKEGSSFUNNOT-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76812;MM76812;CC(=CC(C)N)CCO;FJCJSJWNBRAMBD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76813;MM76813;C=C(CC)C(O)(CO)CO;HYHCVSLTROXGFQ-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76814;MM76814;CCNN=CC(C)CN;FRMGKWKDRRZLRQ-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76815;MM76815;C#CCC(C#N)C=NNC;XNHOJBFVMADHDX-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76816;MM76816;CNC(=NNC=N)NC=N;IYOMEYMISTXGAD-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76817;MM76817;C#CC(CN)C(C)CCO;CTFCWIFAPOKFOR-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76818;MM76818;CCON=CC(C)CN;OHKOJZUAOWOFTA-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76819;MM76819;C=C(OC)C(C)(CO)CO;YUWKWIJALIXMBL-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76820;MM76820;C#CCC(N)C(N)CC;LTEDJPIECWTTLV-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76821;MM76821;C=C(CNC)C(N)CC;IUZJJAMNAWZUJE-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76822;MM76822;CC=CC(C)C(N)CN;HSZWQWWZBDFYKG-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76823;MM76823;CC(C=CF)C(N)CN;LXZDIIXLSDYERM-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76824;MM76824;C=C(C#N)C(C)(CO)CO;NLLFCHSOFSQFTI-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76825;MM76825;CCC(O)(CC)C(=O)C=O;CXVJMZIZWPNKKE-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76826;MM76826;C=CC(=N)N(C)C=NC;WHNVDKXSIUUDFQ-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76827;MM76827;CN=C(C)N(C)CC#N;FMZOWTUWUUETKN-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76828;MM76828;CNCC(C)=C(C)CF;WRKLFUMGIBVERC-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76829;MM76829;C=C(C=O)C(C)(CO)OC;LQDDYIOFBLKGOZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76830;MM76830;CC=CC(NC)C(C)N;GFRPSNZERLWXLH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76831;MM76831;C#CC(=C)C(C)(CO)CO;FXBONDUIIYCIIH-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76832;MM76832;CC=C(C(C)N)C(C)N;ONGGCJZZZXBJFE-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76833;MM76833;C#CC(=C)C(O)(CC)CO;IBICYBFITNQFJX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76834;MM76834;C#CC(=C)C(F)(CO)CO;UFPPRBRPWJUSAT-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76835;MM76835;C#CC(CC=O)CNC;WPIQEHRXFAXYDY-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76836;MM76836;CNC(=NNC=N)NN;YHWVOQWGQOBALM-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76837;MM76837;CCC(C)(C#N)C(=O)CO;FCYIOLUHUGOUQF-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76838;MM76838;C=C(CC)C(O)(C#N)CO;KQGRKDFKFISJIO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76839;MM76839;C=CC(CC)C(N)CN;YWIYMXGMYLTZHP-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76840;MM76840;CCC(C=CC(C)N)CO;NOWHUMIKYGCRMR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76841;MM76841;CC(N)C=CCC(C)O;VDSSAFZTWIUPLC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76842;MM76842;C#CC(CNC)C(C)C=O;FTLRIVHCGBOVNY-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76843;MM76843;C=NNC(=N)N(C)CCF;HCFVQYWIBYNIJP-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76844;MM76844;C#CC(F)C(=O)CNN=C;CLNOBHKZCQGFTO-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76845;MM76845;CNC(=O)C(C)(C#N)CO;DDTZJYKUBPSWGO-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76846;MM76846;C#CCC=NNC(=N)N;UBKCWAIQOOCUDO-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76847;MM76847;C=CNC(=NN)N(C)C=N;JIBZNKSFMBXZTM-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76848;MM76848;C=C(OC)C(C)(C#N)CO;CJJHYSBFQCLCKD-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76849;MM76849;CCNC(=NN)NC=NC;NEQFCVSQELIKTO-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76850;MM76850;C=C(OC)C(O)(C#N)CC;DJMJHKATMSDYNX-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76851;MM76851;COC=NNCCCN;FWONRISNCYOXQU-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76852;MM76852;CC=C(C(=N)N)C(C)=O;VQBQOYCXCNZWHU-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76853;MM76853;CNC(=O)C(C)(C#N)OC;OHPUWOMVNNWFCA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76854;MM76854;C=CC(C)(CO)C(=O)C#N;AAMSBBINKHJSAP-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76855;MM76855;CC(C#N)(CO)C(=O)C#N;GVBOMOWXTUPCCP-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76856;MM76856;CNCC(=CC#N)NC=N;NFCBIVWJYXOUJU-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76857;MM76857;C=C(C#N)C(O)(C#N)CO;MWFOXBMZSSRMFL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76858;MM76858;C=CC(O)(CC)C(=O)C=O;VBUDUVWWKCPELL-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76859;MM76859;CCC(O)(C#N)C(=O)C#N;GHGNBJQKEBDBFI-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76860;MM76860;C#CC(C)C(C#C)CN;BBPQMZWXWIJWGD-UHFFFAOYSA-N;121.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76861;MM76861;CCC(OC)C(=N)NN;SVTXTNVVLYPMNS-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76862;MM76862;C#CC(NC)C(=N)NC;LKFQFAPZGPGUPC-UHFFFAOYSA-N;125.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76863;MM76863;C=CC(=CC)C(C)NC;YAYARCLNIKEGLP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76864;MM76864;C=CC(CN)CNN=C;BXGAMYLPAHXRMX-UHFFFAOYSA-N;127.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76865;MM76865;COC(C)(C#N)C(=O)C#N;KXRAPHMQJRIULT-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76866;MM76866;C#CC(=O)C(C)(C=O)CO;FHPRXFMDWVBOBO-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76867;MM76867;C#CC(=O)C(C)(C#N)CO;HFCAKVQEBRAOFM-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76868;MM76868;CCC(=CC#N)NNC=N;ZOGFDSZIUKRUJP-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76869;MM76869;C#CC(=C)C(O)(C=C)CO;SZNQVMNKDKTUTR-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76870;MM76870;C#CC(=O)C(O)(C=O)CC;FIGMXHDCLZIXER-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76871;MM76871;C#CC(=O)C(O)(C#N)CC;NKSVZVTZWUUJTF-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76872;MM76872;C#CC(=O)C(O)(C#N)CO;XBKNNHXAKCBBMV-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76873;MM76873;C#CC(=C)C(F)(C#N)CO;PHCBVFUULNXCOF-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76874;MM76874;C#CC(O)C=NNC(C)C;BJHXBKQLBIZWJD-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76875;MM76875;C#CC(=O)C(C)(C#N)OC;GMUTVJMISCJJLP-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76876;MM76876;C#CC(C)(CO)C(=C)CO;ACXSXJZNVRWLLK-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76877;MM76877;CN(CCF)CC(C)(C)N;BRNFPMAGZNKGMK-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76878;MM76878;C#CC(O)(CC)C(=C)CO;RHVCHOPMXLAXME-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76879;MM76879;CNN=CC#CC(C)O;RURQQAQJUUUQHK-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76880;MM76880;C#CC(C)(CO)C(=O)NC;UCEYPYKPFMPWRK-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76881;MM76881;C=NNC=NOC(=O)NC;WELKGXCUCUKWIH-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76882;MM76882;N=C(N)NC=C(F)F;NQBIBUAXNNURGY-UHFFFAOYSA-N;121.09;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76883;MM76883;C=C(C#CCC=NO)CN;LPVFBIMQTMHCOV-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76884;MM76884;C#CC(O)(CC)C(=O)NC;OBUVXTTUIQVTKH-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76885;MM76885;NN=CCC(F)C#CCO;QPYDHEPCYKTWQH-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76886;MM76886;CNN=CC(C)(C#N)CO;ZAFOQSVUNOAAEQ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76887;MM76887;C=C(CNC)CC(C)(C)F;CZONDRNJZBEHJY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76888;MM76888;CC(C)(F)CCC(N)CN;ZUQNOLOKYNJCRB-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76889;MM76889;C#CCNC(C)(C)CNC;MZBCMQPQFOMXQN-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76890;MM76890;C#CC(C)(OC)C(=O)NC;MUVYVIDFEDLVCJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76891;MM76891;C#CC(C)(CO)C(=O)C=C;XAADKFIELKADSO-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76892;MM76892;C#CC(O)(CF)C(=C)C=O;WOAWMDSGSYTXGK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76893;MM76893;C#CC(O)(CC)C(=O)C=O;MBBLUYCGVZSULG-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76894;MM76894;C#CC(O)(CO)C(=O)C#N;XMWAPEIHZDDWQG-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76895;MM76895;C#CC(F)(CO)C(=C)C=O;GNEMDAZCOIIYRI-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76896;MM76896;C#CC(F)(CO)C(=O)C#N;GVSPRCKMYSAPQP-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76897;MM76897;C=C(C)C(C)(C)NCCN;FUSBJBWUGGUYSK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76898;MM76898;CC(N)(C#CCCN)CF;JHEQAOCRVCMRSX-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76899;MM76899;C#CC(C)(OC)C(=O)C=O;TYDDEWVAYCTYOF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76900;MM76900;C#CC(C)(OC)C(=O)C#N;QUQSYVLYXMCRLM-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76901;MM76901;C#CC(=O)C(C)(C#C)CO;CMBHARLXTHMSJC-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76902;MM76902;CC#CC(C=NO)CNC;VUXGCYOAUHCQNA-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76903;MM76903;C#CC(=O)C(O)(C#C)CC;WBQHRDGWVCIJSD-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76904;MM76904;C#CC(=O)C(O)(C#C)CO;ZMRFIOBZVDJKNL-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15343;MM15343;C#CC(=C)C(F)(C#C)CO;GVHRNKILVLOMLM-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76905;MM76905;C#CC(=O)C(F)(C#C)CO;CGMHZUDDRXCVMH-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76906;MM76906;C#CC(=O)C(C)(C#C)OC;VGSBOYMZVBXVCV-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76907;MM76907;C=C(CO)C(C)(C#N)C=O;MNDGHIXKKYOWTN-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76908;MM76908;C=CC(C)(C#N)C(=O)CO;ALLWKTUDRBOOGZ-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76909;MM76909;CCC(=O)C(C)(C#N)C#N;MBCVQXLIYHPSCM-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76910;MM76910;CC(C#N)(C#N)C(=O)CO;YXNSFSQNLHNQQP-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02172;MM02172;CC(C#N)(C#N)C(=O)CF;RUYUWTRBPNOQCD-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76911;MM76911;CC#CCNN=C(C)CO;FPSSLEIQCLSGKY-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76912;MM76912;CN(C=NO)C(=N)NN;WWUJTLGVIZJBIT-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76913;MM76913;C=CC(O)(C=O)C(=C)CO;VRZORIGPOTXUAC-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76914;MM76914;C=CC(O)(C#N)C(=C)CO;BSSDTEDCNMIAIX-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76915;MM76915;C=C(CC)C(O)(C#N)C#N;CKUXRKSZWDHJEO-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76916;MM76916;C=C(CO)C(O)(C#N)C#N;YLTXSDGTJVQINZ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76917;MM76917;C=C(CF)C(O)(C#N)C#N;YXLMUDFCCNXJPS-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76918;MM76918;CCC(=O)C(O)(C#N)C=O;UKVVMRXSOVHZAO-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76919;MM76919;C=CC(CCNCC)=NO;KBBOFHZNHFMFNT-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76920;MM76920;CCNCCC(=O)CC#N;HFYMWBBFHKLCSH-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76921;MM76921;C=CC(C)(C=O)C(=O)NC;MOWOJHUHFLYZIC-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76922;MM76922;C=CC(C)(C#N)C(=O)NO;SLPFHUDGBZCAPB-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76923;MM76923;CNC(=O)C(C)(C=O)C=O;RSYSXIWKPXSOOL-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76924;MM76924;CNC(=O)C(C)(C#N)C#N;PFAIDIULBUDELK-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76925;MM76925;CC(C#N)(C#N)C(=O)NO;GLUUKVWEOGQECW-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76926;MM76926;C#CC(C)(N)C(C)NCC;ODOJMRGABOLIBG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76927;MM76927;C=NNC(=CC#N)C(C)O;RILPRGWFWHGXAA-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76928;MM76928;CNC(=N)C(O)(C#N)C#N;KFPLSONXLQNOEQ-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76929;MM76929;C#CC#CC(O)CCNC;SOYWCRYETXWGBH-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76930;MM76930;CNC(=O)C(F)(C#N)C#N;YMXCSHRHGFNGQC-UHFFFAOYSA-N;141.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76931;MM76931;C=C(OC)C(C)(C#N)C#N;SFYDXLWDIWVOAD-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76932;MM76932;COC(=O)C(C)(C#N)C=O;CHVXXEIINMCSIJ-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76933;MM76933;COC(=O)C(C)(C#N)C#N;UHHPBTVMZCLTPI-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76934;MM76934;C=C(OC)C(O)(C#N)C#N;CIKJTSMUPFKWCR-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76935;MM76935;C=C(C=O)C(C)(C#N)C#N;DWNYNBOAMRPNRA-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76936;MM76936;CC(C=O)(C=O)C(=O)C#N;MRBXHDWYYZCENR-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76937;MM76937;CC(C#N)(C=O)C(=O)C#N;KVMFDXQEFKNMNN-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76938;MM76938;CC(C#N)(C#N)C(=O)C#N;VQQZCLOKBMOXCU-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76939;MM76939;CC(C#N)(C#N)C(=O)C=O;CRJRFBSQFBISEC-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76940;MM76940;C=CC(=C)C(O)(C=O)C=O;WWGBHMZACNGMQI-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76941;MM76941;C=C(C=O)C(O)(C#N)C=O;OAUNLWUFUCZBAL-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76942;MM76942;C=C(C#N)C(O)(C=O)C=O;CESTXWRFIFUDMA-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76943;MM76943;C=C(C#N)C(O)(C#N)C#N;WZWPRKAEUODNNA-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76944;MM76944;C=C(C=O)C(O)(C#N)C#N;YPZWYDNJRFNCTE-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76945;MM76945;C=CC(O)(C=C)C(=O)C=O;FVXWLBUUYLWHGA-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76946;MM76946;C=CC(=O)C(O)(C=C)C=O;VGKKIRYANPVSMV-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76947;MM76947;C=CC(O)(C#N)C(=O)C#N;LFYDWFFIASDAKG-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76948;MM76948;N#CC(=O)C(O)(C#N)C=O;QNAIKRHCEVURPY-UHFFFAOYSA-N;138.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76949;MM76949;N#CC(=O)C(F)(C#N)C#N;OHRAPISJVHOWPN-UHFFFAOYSA-N;137.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76950;MM76950;C#CC(=C)C(C)(C#N)C#N;VIEBNMXYXMRKAC-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76951;MM76951;C#CC(=O)C(C)(C=O)C=O;JKPSVELKHKNDMW-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76952;MM76952;C#CC(=O)C(C)(C#N)C=O;WYYXZMNKZTUZKY-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76953;MM76953;C#CC(=O)C(C)(C#N)C#N;FCDXVSYPKLHKAT-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76954;MM76954;C#CC(=C)C(O)(C#N)C=O;QQFNZMTWCTUZTG-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76955;MM76955;C#CC(=C)C(O)(C#N)C#N;SZQRXKQRYNLVGT-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76956;MM76956;C#CC(=O)C(O)(C=C)C=O;QNJHKOMXWKPGPX-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76957;MM76957;C#CC(=O)C(O)(C#N)C=C;XKNCLQAPCOUVGC-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76958;MM76958;C#CC(=O)C(O)(C#N)C=O;FVTUGJHMUKCCKU-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76959;MM76959;C#CC(=O)C(F)(C#N)C=O;KIECMQJYDVWVDD-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76960;MM76960;C#CC(=O)C(F)(C#N)C#N;JVIOROKUVWVZMG-UHFFFAOYSA-N;136.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76961;MM76961;C#CC(C)(C#N)C(=O)CO;DTMVZUNGSXRQRZ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76962;MM76962;CC(C#CC(N)=O)C=NN;QCUISHQADXAWDZ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76963;MM76963;C#CC(O)(C=C)C(=C)CO;UZLVOTFDEVRWSI-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76964;MM76964;C#CC(O)(C#N)C(=C)CO;KDBUCJMPARTNSG-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76965;MM76965;C#CC(O)(C#N)C(=C)CF;QJXHVGDKZYEBGX-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76966;MM76966;C#CC(F)(C#N)C(=O)CO;SUWBVIGIKKLEMF-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76967;MM76967;C=CC(C)(CCN)NN=C;ZYMBXNGCRDDUIY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76968;MM76968;C=C(C)CC(=O)C(=N)NO;DCRJPZMORGNIQX-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76969;MM76969;CNN(C=O)C(N)=O;CZUWKOMQQAEUKQ-UHFFFAOYSA-N;117.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76970;MM76970;CC(C)(C#CCO)CN;ANLXYFGKBORNNA-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76971;MM76971;C#CC(C)(C#N)C(=O)NC;VLZYDKQDESWAIC-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76972;MM76972;C#CC(C)(C#N)C(=O)NO;YZFOVIOUINMIAG-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76973;MM76973;C#CC(N)(C=CC)CCN;NNAPIHJZUKAHLP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76974;MM76974;C#CC(CC(=C)CO)=NN;MLHYHTRNLBVQGY-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76975;MM76975;CC(O)CNN=CCF;VDCASNHNJNTPAT-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76976;MM76976;C#CC(O)(C=C)C(=O)NC;QEBLVDYSQIZKCY-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76977;MM76977;C#CC(O)(C#N)C(=O)NC;LXYUEXLDLPWULH-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76978;MM76978;C#CC(N)(CCN)C(=C)C;PFPSSQFLYBXKPZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76979;MM76979;C=CC(O)(C=CF)CNC;VHKRAXVFBFGDLH-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76980;MM76980;C#CC(F)(C#N)C(=O)NC;JAWIZGNXFKQJLO-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76981;MM76981;C#CC(C)(C#N)C(=O)OC;GWFYXXNDZPFWQF-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76982;MM76982;C=C(C)C(C)=CC(C)NC;XSCBNPSSFMUHLV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76983;MM76983;C#CC(O)(C=O)C(=C)OC;VTSNZRJQSLXGDD-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76984;MM76984;C#CC(O)(C#N)C(=C)OC;NKIPOGJAMJLMGI-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76985;MM76985;C#CC(O)(C#N)C(=O)OC;XUBJRBWUBULHDV-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76986;MM76986;C#CC(C)(C=O)C(=O)C#N;SDTUPOGQOYYIQM-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76987;MM76987;C#CC(O)(C=O)C(=C)C=O;SYYJKQPGYKRUII-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76988;MM76988;C#CC(O)(C#N)C(=C)C=O;FMXPSMLDOPLNOM-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76989;MM76989;C#CC(O)(C=O)C(=C)C#N;ULGGFAGJFDMODD-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76990;MM76990;C#CC(O)(C=C)C(=O)C=O;YNLAEDJOBPKGNO-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76991;MM76991;C#CC(O)(C=C)C(=O)C#N;BCHOOGVNXVEKLA-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76992;MM76992;C#CC(O)(C#N)C(=O)C=C;SQCULVVNLSISHA-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76993;MM76993;C#CC(O)(C#N)C(=O)C=O;ZBMYPJWSRFXDKO-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76994;MM76994;C#CC(O)(C#N)C(=O)C#N;SFIVUVHFHYEIGV-UHFFFAOYSA-N;134.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76995;MM76995;C#CC(F)(C#N)C(=O)C#N;IFNUTMATEFQOHY-UHFFFAOYSA-N;136.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76996;MM76996;C#CC(=O)C(C)(C#C)C=O;UIYPBPWNJGMTDC-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76997;MM76997;C#CC(=O)C(C)(C#C)C#N;MDCYEHPMCNRAAN-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76998;MM76998;C#CC(=C)C(O)(C#C)C=O;GLDWQTFKVMMXBR-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM76999;MM76999;C#CC(=C)C(O)(C#C)C#N;ZENZKNDKZILNAR-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77000;MM77000;C#CC(=O)C(O)(C#C)C=C;REJNRJUHCVPIEQ-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77001;MM77001;C#CC(=O)C(O)(C#C)C=O;PULJHRRSXBOERQ-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77002;MM77002;C#CC(=O)C(O)(C#C)C#N;XSAIKIUWVHZOIK-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77003;MM77003;C#CC(=O)C(F)(C#C)C#N;PMYZSUZDWBLTEC-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77004;MM77004;C#CC(C)(C#C)C(=O)CO;SOXBYPBOYWKNCY-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77005;MM77005;CNC(C)(C)C(O)COC;AVELYZRDZSJQGT-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77006;MM77006;CCC(O)(CNC)COC;MYFPJSHOQKKAQJ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77007;MM77007;C#CC(O)(C#C)C(=C)CO;TUGHXACUPCJZKK-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77008;MM77008;C#CC(O)(C#C)C(=O)CC;DEJXRKTXMCXTHH-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77009;MM77009;C#CC(O)(C#C)C(=O)CO;DQZFXHKQJGVZFK-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77010;MM77010;C#CC(O)(C#C)C(=O)CF;SCYBJYRHBLFTDV-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77011;MM77011;C#CC(F)(C#C)C(=O)CO;KTNFOYSILXOUFP-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77012;MM77012;CC(=O)N(C)C(=N)N(C)C;KQHWHEXRKICRCT-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77013;MM77013;C=C(C)CCCC(N)CN;ZVHOQTRLXCNWSV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77014;MM77014;CCC(N)C(C)(O)COC;BYFPYGHRKWJKDJ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77015;MM77015;C#CC(C)(C#C)C(=O)NC;LHBGSJWYWWQOER-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77016;MM77016;C=CC(O)(C=C)CNC;IWMNTYJVDVEIFY-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77017;MM77017;C#CC(C)(C#C)C(=O)NO;KLSUMLFOURSROE-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77018;MM77018;CC(C)=CCCC(N)CN;GXWAUUXWIJFYOU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77019;MM77019;C#CC(C)N(O)C(=N)NC;LGFXWJDCFNBNIF-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77020;MM77020;CC(C)C(C)(O)C(C)N;KAMYBMXVSOLGON-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77021;MM77021;C#CC(N)(C#C)C(=O)NO;RAAQSLUZSNCWCX-UHFFFAOYSA-N;138.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77022;MM77022;CC(O)C#CC(C)(C)CN;NRSDBFMVIJVAKH-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77023;MM77023;C=C(F)CC(C)(O)C(C)N;HUMCFBFKCAIORE-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77024;MM77024;C#CC(O)(C#C)C(=O)NC;KVKONTLCMRPQSU-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77025;MM77025;C#CC(O)(C#C)C(=O)NN;XBJOXZQPILKSSC-UHFFFAOYSA-N;138.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77026;MM77026;CC(CCF)CC(N)CN;PQHJIHINALFYNM-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77027;MM77027;C#CC(F)(C#C)C(=O)NC;SQXRYCZOISJDSZ-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77028;MM77028;CN=CN(C)C=C(C)C=O;WDGRNVHIQXVGCN-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77029;MM77029;C#CC(O)(C#C)C(=O)OC;DZVAITGFDWGQIJ-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77030;MM77030;C#CC(C)(C#C)C(=O)C=O;ORNRIBZINGUNDV-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77031;MM77031;C#CC(O)(C#C)C(=O)C=O;BXJTUPVMDVVQHA-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77032;MM77032;C#CC(O)(C#C)C(=O)C#N;DYTMCPBKOHCEFU-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77033;MM77033;C#CC(=O)C(O)(C#C)C#C;JJLMYXMSWZLWPN-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77034;MM77034;CC(=CF)C(C)(CO)CO;SHYICLQSINWGAH-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77035;MM77035;CNCC(C)=CC(F)C#N;HHSCNAWGAZINID-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77036;MM77036;CNC(C)C=C(C)C=CF;IQRWLFAYAUQHIL-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77037;MM77037;C=CCC(C)(O)C(C)N;CYWSFTZMRRSIIC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77038;MM77038;CC(N)C1(O)CC1;YDUOHHRMLNGGPN-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77039;MM77039;CCNCC(C)(O)CC=O;RAPMUKKLKBYUGF-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77040;MM77040;CC=C(C)C(O)(CO)CO;COLUPTJLIOTIRT-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77041;MM77041;CC(C)=CC(C)C(N)CN;UFGUJIMSGMVEBG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77042;MM77042;C#CC(CNC)CN(C)C;VHRZRQBBEBYBMC-UHFFFAOYSA-N;140.23;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77043;MM77043;CCOCCNCC(C)N;DKPQRIFOJYMIJG-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77044;MM77044;C=C(NC=N)OCCC#N;PVRXSSRCDIZJRL-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77045;MM77045;CC=C(C)C(O)(C=O)CO;DWFXXFHCFPGFCJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77046;MM77046;CC(=NO)C(C)(C=O)CO;HJDCKLQGNHEBLA-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77047;MM77047;CNCC(C)OC=NOC;SLNKLJPWTGDRQH-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77048;MM77048;C#CC(CC(C)O)=NN;JEJNVVOUPOVIJE-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77049;MM77049;N#CCC=CC(=N)NC=N;PNQDFXNVUNOFBD-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77050;MM77050;CC=C(C)C(O)(C#N)C=O;PPJAHUXNZVINCD-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77051;MM77051;CC=C(C)C(O)(C#N)C#N;MRQJKGDKYKFJKW-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77052;MM77052;CC(=NO)C(C)(C#N)C#N;ZEZQDWOHJRSETC-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77053;MM77053;C#CC(O)(C#N)C(C)=NO;AQGASTCOHUHEJZ-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77054;MM77054;C=CCC(=C)C(N)CCF;YHRCDYYVLAFYJZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77055;MM77055;C=C(C(C)C)C(N)CCF;NPFJHAXXYGRAMO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77056;MM77056;C=CCC(O)C(N)CC;GUMZHXIDCOVASF-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77057;MM77057;C=C(C)C(N)C(C)=CCN;MGWUBOFADRWUEC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77058;MM77058;CC#CCC(O)CNC;FGCXXNVYHSKWQE-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77059;MM77059;CNCC(C)=C(C)C(C)F;FPZQVDZNTICGFW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77060;MM77060;CC(C#CCCO)=NN;NNGKOYPMTVENFP-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77061;MM77061;C#CC(C)C(C)(CN)CN;ZXZWYXWEZXFSBV-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77062;MM77062;CC(CN)(CF)CCCF;DMAQJRJZTPLMPP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77063;MM77063;C=NN=CC(C)(CN)CN;LYTMAWYUECYJJL-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77064;MM77064;CN=C(NO)N(C)N;SVPPNPUKUHZURM-UHFFFAOYSA-N;118.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77065;MM77065;C#CCC(CC)(CN)CN;OKWJOOUADGAWNY-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77066;MM77066;CC(CF)CCC(N)CN;ZXGVSAIRUHTNHD-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77067;MM77067;CCC(F)CCC(N)CN;XZSYFYFLZVHBMP-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77068;MM77068;C=CC(C)CCC(N)CN;AQMJZZCVWYHLRT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77069;MM77069;C=CC(=C)CCC(N)CN;ZSEOBTBVWVRGIA-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77070;MM77070;CNC(=CC#N)CCCO;FUAMGAFJURMDGT-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77071;MM77071;C=COC(C=O)ON=C;KAWKDMQTVODEHY-UHFFFAOYSA-N;129.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77072;MM77072;CNN=CNN=C(C)C=O;WJARBMFRJWJRKP-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77073;MM77073;C=NNC(=N)C=O;QRGUCELOQRELFG-UHFFFAOYSA-N;99.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77074;MM77074;CCCCC(O)(CO)CO;XJHIVZIVHQGBBE-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77075;MM77075;C#CC(=C)CCC(N)CN;QBHPUMNAEVCCQV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77076;MM77076;CCCN=C(NO)N(C)N;IAUQDTBZXWCZBQ-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77077;MM77077;CC(=CF)CCC(N)CN;WEGOUVMLIYRUKN-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77078;MM77078;C=CC(CN)CN(C)N=C;CKGWAXFPSQNFJI-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77079;MM77079;CCCCC(F)(CO)CO;WUDSSSCTURRJIS-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77080;MM77080;C=C(CC)C(C)C(N)CN;IENSVKOMKUHXKE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77081;MM77081;C=CC=CC(=N)NCC#N;QNHFTVZDLYEZAE-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77082;MM77082;C=CC=CC(C)C(N)CN;LMQNTFNAXDRKOA-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77083;MM77083;CC(O)C(N)C(C)CF;VRCCGKUFDDHFMP-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77084;MM77084;C=CC=CC(N)C(C)CF;JZOAGGPHLYEHSC-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77085;MM77085;C=CCCC(N)C(C)O;CNBADPWDBDZNPK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77086;MM77086;C#CC=CC(C)C(N)CN;ILRIDTXZAVDIDI-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77087;MM77087;NCC(N)CCCCCF;QHJZORBSKFDUEN-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77088;MM77088;NCC(N)CCCC=CF;IZVOOTCKTQBJSI-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77089;MM77089;C=NN=CCCC(N)CN;YUKSBJJUJGOTCY-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77090;MM77090;COC(=O)CC#CCCN;VTPHWAHBBZTFMP-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77091;MM77091;COC(C)(CO)CCCO;WHTMGQSKKWIURQ-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77092;MM77092;COCC(C#N)NCC=O;CPLHUIINKSCKJZ-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77093;MM77093;COC=NN=CC(C)CN;YAOIMWAOYPRGLX-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77094;MM77094;CC(C#CCOC=O)CN;MIXKMHWEOAOBTQ-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77095;MM77095;COC(C)(CCCO)OC;HLSHRWPNRRAMMV-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77096;MM77096;C=CC(CCC)C(N)CN;QCUJSPDLZZAPGP-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77097;MM77097;CC=CC(=NC)NNC=N;HJFJFKFIAXOOAK-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77098;MM77098;N#CCC=C(C=O)C(=N)N;ANSIMBFEBXPNDX-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77099;MM77099;C=C(C=NN)OC=NNC;ALJRHFWFOZWTIF-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77100;MM77100;C#CC(=O)C=CN(C)N=C;MHWXNYUEJULGHE-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77101;MM77101;C=NNC(=N)OC(=O)CC;GCNGTHIFOVLJMV-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77102;MM77102;C=CC(NC)C(C)NCC;DEDFMQLVWBGTQY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77103;MM77103;COC(=NN)C(C)=CN;CMOMIFJLWPLSIG-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77104;MM77104;N=CNC=N;HLSFBFYQBSVXBS-UHFFFAOYSA-N;71.08;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77105;MM77105;CC(=NC=NN)N(C)C=O;DVWTZXJBBKYVLK-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77106;MM77106;C#CC(C=O)=C(N)NN=C;VLPYUHKYMFPNIX-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77107;MM77107;CC(O)C(C)NCCCF;UYWVRNYGZOCOMW-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77108;MM77108;CCOCC(O)(CC)CO;ONHPXOVFVHQDDY-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77109;MM77109;COC=CC=NNCC#N;MMQZNTVZJGIJBK-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77110;MM77110;CCOCC(C)(CO)OC;RITXTTNTLGBWDH-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77111;MM77111;CN=CNN;BMOREWAEADRMKJ-UHFFFAOYSA-N;73.1;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77112;MM77112;CCC(N)CN;ULEAQRIQMIQDPJ-UHFFFAOYSA-N;88.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77113;MM77113;C#CC=CC(C)N;VAWGDZWFHXQXDN-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77114;MM77114;C=C(C(C)O)C(C)CN;IVSZPWNKFNZLOX-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77115;MM77115;CNN=CCC#N;PPVIREPNSUBSPC-UHFFFAOYSA-N;97.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77116;MM77116;CCC(C)(CO)OCCO;VXOCTNGGOADDKV-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77117;MM77117;C=C(CC)CNC;WTDHKHCTOJZURS-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77118;MM77118;C=NNC(=CC#N)COC;WPGKBPNNULTKFO-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77119;MM77119;CCCOC(C)(CO)CO;YLQZVOTWKZTMQL-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77120;MM77120;CC(CO)(CO)OCCO;MYRCRMHSNHAGRA-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77121;MM77121;CCC(C)(OC)OCCO;QRLZYENMGYBCCP-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77122;MM77122;CCCOC(C)(CO)OC;QUAJJBCVFFZGHR-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77123;MM77123;CC=C(C)CNC;IUULRFDJTPRMJA-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77124;MM77124;CC(CO)(CO)CCC#N;NUPISSZRRYXPEN-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77125;MM77125;CCC#CCCN;BOSJIPJDUDDZAA-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77126;MM77126;CCC(O)(CO)CCC=O;AOBGGCJNECBIIP-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77127;MM77127;CCC(O)(CO)CCC#N;NVZGHDNFDVBGGG-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77128;MM77128;CON=C(NN(C)C)OC;LFVFGICBBZINQF-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77129;MM77129;C=CCCC(O)(CO)CF;NGVUNMLEKMYZIR-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77130;MM77130;COCC(C)(C)CN;PQUOEPYRTBAJTK-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77131;MM77131;C=CCNCC(C)N;DCQWADLROPOQBG-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77132;MM77132;C=C(CCF)CNC;NSRHQIFMJITYMM-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77133;MM77133;C=CC(CCN)C(C)(C)O;GWCONBNZLOFOSJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77134;MM77134;CNCC(C)=CCF;JTDGLYWTLANSJS-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77135;MM77135;CON=CC(=O)NC=N;JUNKJAQCDINZCF-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77136;MM77136;C=C(C(C)N)C(C)N;DKLPVMDTMXFYAD-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77137;MM77137;C=CC(=C)C(C)NC;OHXGZDZJGUCOFT-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77138;MM77138;C#CCCN(N)C=N;DQYSXZYMOIPRKT-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77139;MM77139;CC(CN)C(=CF)CO;NQFXFEDPZTZJRH-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77140;MM77140;C=COCC(O)(CC)CO;HFSNDSRZLNYPIW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77141;MM77141;CC(CF)C(C)C(N)CO;XIWYEIKDNWAKHI-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77142;MM77142;CN=C(CCF)NN;BVROMRDSPDYYNR-UHFFFAOYSA-N;119.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77143;MM77143;CC(CF)CNC(C)CO;DEEHFWCIHPQHBT-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77144;MM77144;C=C(C)C(CCN)C(C)O;BSNVGOBSMWCGSN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77145;MM77145;C=COCC(C)(CO)OC;AJHXGCIQYYYTSM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77146;MM77146;C=CC1(CN)CC1C;VUFPHBNNVYTWCG-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77147;MM77147;C=NNC(C)(C)CCN;YNEOUKOCTKRYJB-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77148;MM77148;CC(O)CNCCCC=O;BCOKOHOGTXJNSZ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77149;MM77149;CCC(C)(CO)OCC#N;XTTZRRRMMNTPGJ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77150;MM77150;CC(CO)(CF)OCC#N;RZCBCLAYSXQCAG-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77151;MM77151;CC(N)(CCN)C(F)F;IETKASWYAABDHE-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77152;MM77152;C=CCOC(C)(CO)OC;LOJSWSZLNZZWSY-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77153;MM77153;COC(C)(CO)OCC#N;CBUOWEQHANCAMS-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77154;MM77154;COC(C)(CF)OCC#N;JMDFHOTUFGUAPL-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77155;MM77155;CCC(C)(CO)ONC=O;YWVKWFSNCGSPLA-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77156;MM77156;CCC(C)(OC)ONC=O;YUFSYEIOWKJSQW-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77157;MM77157;C=C(C)C(N)CC(C)F;ZGFLFWSDFGMQBV-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77158;MM77158;CC(=NCC=CF)NC=O;IICGYUHCYKMBBH-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77159;MM77159;C#CCOC(C)(CO)OC;IOATUFIXADZRJQ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77160;MM77160;CNN=CC(O)(CO)CO;FCHFYNYMRFYPIL-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77161;MM77161;CC(C)=CC(=N)NC=N;IKWDNTIGHKTIOS-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77162;MM77162;CCC(O)(C=O)CCCO;AFOAUFTXMUTTMR-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77163;MM77163;CCC(O)(C#N)CCCO;OPNMLTZXOWRYIO-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77164;MM77164;CNCC(C)=CC(C)F;YBRNFHLNGQYVCE-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77165;MM77165;C#CCC(C)(CN)CN;NWQSURCDNRLWJG-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77166;MM77166;C=CC(CC(=C)C)NC;DFYCCUNJWVLNQB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77167;MM77167;C=C(CCCF)CNC;YRJUXTJPZQYVQH-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77168;MM77168;C=C(F)C(CO)CCN;RQBCTOZNEAOYAU-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77169;MM77169;C=C(NC=N)OCCC;UGXKZDXHQOHMBM-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77170;MM77170;CCC(O)(C=O)CCOC;ABQNFXGRBSRERX-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77171;MM77171;C#CC#CC(N)CCN;DDPBPJNKOKLVMS-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77172;MM77172;CC#CC(C)(O)C=NN;FZTWQKGADCCFDW-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77173;MM77173;CNCC(C)=CCOC;PVWLLCJGUNRUOF-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77174;MM77174;C=CC(N)C(C)C(C)F;MWUFIVWMVFKZPN-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77175;MM77175;COCCC(C)(C#N)OC;AHEDPHMCGJRJPJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77176;MM77176;C=C(CN)CNCCC;LPMFIPFALXAGTI-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77177;MM77177;C#CCONC(=N)CC;DDQWMJGALUBUMZ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77178;MM77178;CC#CC(O)C=NNCC;LPCFBRRELDBOGO-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77179;MM77179;C#CCC(C)C(N)CN;GFDQYUQQHGCCGI-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77180;MM77180;CC=CC(N)C(C)CF;SCTJQYCWCSDIOU-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77181;MM77181;C=NNC(CF)CCN;PUGRDFKHIQBBDA-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77182;MM77182;CCOCC(O)(C#N)CC;XKEMWKCYBSHFOP-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77183;MM77183;C=CC(O)(CO)COCC;CRHVYQRFRRJMFN-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77184;MM77184;CCOCC(O)(C#N)CO;GUWRBJLZTLYKAO-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77185;MM77185;CCOCC(F)(C#N)CO;FLGMRJQPRJCVEL-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77186;MM77186;C=CC(CCN)NN=C;NYMJKQMTXYEGKY-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77187;MM77187;CNN=CCC(=O)CC#N;VRVDONZLGJOOBW-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77188;MM77188;C=CC(O)C#CC=NN;XPXVTTPWOLTADJ-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77189;MM77189;C=CCNNC=O;RETKORUFJCYBGR-UHFFFAOYSA-N;100.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77190;MM77190;C#CC(CCN)N(C)C;BSIRWMVLTYACHC-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77191;MM77191;C=CC(C)(CO)OCCO;OXMXVNIGFVHUMA-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77192;MM77192;C=CC(C)(CO)OCOC;BUQHULMKSWLMNK-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77193;MM77193;COCOC(C)(C#N)CO;SWDJUXNJSAFROS-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77194;MM77194;C=C(F)C(CCN)NC;RMSYABJSDNSIBL-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77195;MM77195;COC(C)(C=O)OCCO;SNKSZTCJVCPCIU-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77196;MM77196;COC(C)(C#N)OCCO;ZHQPGHFKOPICOW-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77197;MM77197;COCOC(C)(C#N)OC;SHSVAHNNOYVYIE-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77198;MM77198;CC(C#N)(CO)CCC#N;SYZYOJYFUMXAIZ-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77199;MM77199;CC(C#N)(CF)CCC#N;WLCAYWJJYZXNEF-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77200;MM77200;C=CC(O)(CC)CCC=O;PSPIPNRHOHISOC-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77201;MM77201;CCC(O)(C=O)CCC#N;NKGYGKJOGJPSPA-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77202;MM77202;CCC(O)(C#N)CCC#N;CHORTAQAGVLNKV-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77203;MM77203;C=CC(O)(CO)CCC#N;LDIWVIMCXPSMHD-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77204;MM77204;C=CCCC(O)(C#N)CO;GFQFCRZTPUSUBL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77205;MM77205;O=CCCC(O)(C=O)CO;OEKRDEHRIPGWPW-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77206;MM77206;CNC(C)C(CO)CF;NRSRYXMIWMNBGK-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77207;MM77207;COC(C)(C#N)CCC#N;RENBBTVRJVEXJG-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77208;MM77208;C=CC(O)(CC)CNC=O;FVVJXWWFGGDTSS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77209;MM77209;CC(=O)NC(N)=CC#N;LLDRGVADQISGIP-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77210;MM77210;CCC(F)(C#N)CNC=O;RLNBOEDIBVHDBJ-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77211;MM77211;C=C(CN)C(CC)NC;SDQGUHBRZMCDAF-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77212;MM77212;CN(N)C(=O)CO;IEEHDVFRFRYYBN-UHFFFAOYSA-N;104.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77213;MM77213;C=NN(CC#N)C(=N)CO;XHFLSUSJBJNQGM-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77214;MM77214;CCNCC(CO)CF;PQLXZAQAFMTCFL-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77215;MM77215;C=CN(C=N)C=CC#N;AUIZDKNWQPURAF-UHFFFAOYSA-N;121.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77216;MM77216;C#CC=CCNCCC;RGVJAHBIPXUPSP-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77217;MM77217;C#CC(C)(N)CC(=C)CN;UDQOALUFEMEFSQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77218;MM77218;COC(C)(C#N)CNC=O;SSRBATNCAXMZIW-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77219;MM77219;C=CC(CN)CC(C)(C)O;OQJHVSDHBDWKOI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77220;MM77220;CC=NNC(C)(C)CCN;ILWOQIWSCCOXTP-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77221;MM77221;C=COCC(C)(C=O)CO;OCHXVPOWGAFGIF-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77222;MM77222;C=COCC(C)(C#N)CO;HSWNSDRJSIJWGT-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77223;MM77223;C=COCC(O)(C#N)CC;XSZVLBMPKZZEAY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77224;MM77224;C=COCC(O)(C#N)CO;VEUQOQFHVWGKIQ-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77225;MM77225;C=COCC(O)(C#N)CF;ZYOHOXACCLJSCH-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77226;MM77226;C=CC(F)(CO)COC=O;FZYNQVMMUICXPQ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77227;MM77227;C=COCC(F)(C=O)CO;FPLJJSPARFQVQG-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77228;MM77228;C#CC(ON=C)C(N)=O;TUHCPYLSRHWEIL-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77229;MM77229;C=NNC(CO)=C(C)C#N;JNQGEGWVPGOTOV-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77230;MM77230;CC(C)=CCNCC(C)N;ZRCRIULZMQOJME-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77231;MM77231;C=NNC(C)(CC)CCN;OPFQFILALHBXQM-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77232;MM77232;C=C(C)C(C)(CNC)NC;NXHUTQHEKZZOJU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77233;MM77233;COC(C)(C#N)COC=O;HPIULQNWKKXCMY-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77234;MM77234;C=C(C)C(C)NC(C)CN;KKAUKGMTBXCMQC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77235;MM77235;C=C(C)CCC(=C)CNC;IFRVZIYWNXMDMI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77236;MM77236;C#CC(=C)C(CO)CCN;ZWYFVQPQPPKOHU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77237;MM77237;C#CCC(=O)CCNCC;BBBMJWXQNXKWPY-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77238;MM77238;C#CC(C)=NNC(C)CO;ICWAQZZLBJMBKR-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77239;MM77239;C=NOC(C#N)C(C)CO;RCKPHSZUBVZFHJ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77240;MM77240;CNN=CNN=CC(N)=O;GYTVZLWUKYSYES-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77241;MM77241;C=CC(C)(CO)OCC#N;CBORNCOVKSRSKO-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77242;MM77242;C=CCOC(C)(C=O)CO;SIRHCTRSMPLERT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77243;MM77243;CC(C=O)(CO)OCC#N;WPZZWXAQHCJNRA-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77244;MM77244;CC(C#N)(CO)OCC=O;QFCXSPAVRHNLNC-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77245;MM77245;CC(C#N)(CO)OCC#N;KPQLTXYGYUYZIL-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77246;MM77246;CC(C#N)(CF)OCC#N;DMBBDBYPKWUIMX-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77247;MM77247;COC(C)(C=O)OCC=O;RNEXUKWQVNILGK-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77248;MM77248;COC(C)(C=O)OCC#N;KCJKTLZUWZJNPL-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77249;MM77249;COC(C)(C#N)OCC=O;GHIHUFLHBBPXIX-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77250;MM77250;COC(C)(C#N)OCC#N;YTSYPQUWYIFHCO-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77251;MM77251;C=C(CNC)CC(C)CF;HHWZDXMBKIAKPJ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77252;MM77252;C=CC(C)(OC)ONC=O;PNDQJACDOSYXTR-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77253;MM77253;N#CCNN=CCCO;RKTYZNLZBLICNK-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77254;MM77254;COC(C)(C=O)ONC=O;GHUSPYGOXZCFHU-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77255;MM77255;CC=CC(N)CC(F)CN;RQIDRIRYUVWSHA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77256;MM77256;C=C(CCO)C(=NN)OC;NVNQICPNBORKAI-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77257;MM77257;C#CCCC(O)(C=C)CO;HEPJIVURIKBPBT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77258;MM77258;C#CCCC(F)(C#N)CO;YDEVZOSMKSWPQF-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77259;MM77259;C=NOC(C#N)CCCO;XVCAYARZDSVWAI-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77260;MM77260;CNCC(C)=CC(C)CF;YMXUJZJKJWVVPI-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77261;MM77261;C#CCOC(C)(C#N)CO;CTIDOPOYFUXDQN-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77262;MM77262;C#CCOC(C)(C=O)OC;HEFPFSGBVLRFLH-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77263;MM77263;C=NOC(C=O)ON=CC;BGQUGVJXLCLAGB-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77264;MM77264;C#CC(C)C=C(C)CNC;LOCSAEZCTKFAID-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77265;MM77265;C#CC(CN(C)C)C(C)N;NZOQGMWYBQYSCM-UHFFFAOYSA-N;140.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77266;MM77266;CNCCC#CCC(C)=O;BQSCBBZWWVQNDR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77267;MM77267;CC=NOC(C)C(=O)C=O;UBLMUSWGZWUJKY-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77268;MM77268;CC(C)=CN(C=N)N(C)C;BEARJYUWXKAUNG-UHFFFAOYSA-N;141.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77269;MM77269;C#CC=CN=CNC(C)=N;KJNCWDCTQKZDBV-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77270;MM77270;CC(C)=NOCC=O;IPHDQQSCWFHFEH-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77271;MM77271;N=C(N)C=NN=CCCN;JTHUKYMKNPWFJX-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77272;MM77272;C#CC(F)(CO)CCOC;JSBQEFNCAUCDAW-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77273;MM77273;C=NNCCC(=C)CNC;BHMQDJFVDYZYSX-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77274;MM77274;C=C(CCOC=O)CNC;NFRIVJVIDKFWKN-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77275;MM77275;C=NOCCC(=C)CNC;LUTNEZWUMOTESC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77276;MM77276;C=NNCC=C(C)CNC;UJHPJKCZSUQMNT-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77277;MM77277;C=CC(CN)CC(C)O;QGBYZWXCPLGBKU-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77278;MM77278;CNCC(C)=CCOC=O;WOZGDXNSNHBWNP-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77279;MM77279;C#CC(O)(CO)COCC;VFOQIYWMBMZHCV-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77280;MM77280;C#CC(F)(CO)COCC;AEQXMDKFUOWDNH-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77281;MM77281;C=NOCC=C(C)CNC;ZGZOLJDRFSHNML-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77282;MM77282;CNCC(C)=CCC=NN;WYHOCRGJQXQFKM-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77283;MM77283;C#CC=C(F)C(N)CCN;ZSUWYWXCWBIWMY-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77284;MM77284;C#CC(C)(OC)OCCO;UHZQGMQFHKCFRX-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77285;MM77285;C=C(C=COC=O)C(C)N;GEEHSSRJGDVCEL-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77286;MM77286;C=C(C#CCCNC)CO;FBLQRJGGWWEIEF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77287;MM77287;C#CC(F)(CO)CCC#N;LHXKVVXMQPJEID-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77288;MM77288;C=C(C)C(C)C(=N)NC=N;RTKMQMMQBVMXJW-UHFFFAOYSA-N;139.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77289;MM77289;OCCCNCCCF;ABJRHLMBSYAWQL-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77290;MM77290;CC(C)=C(F)C(N)CCN;VUASXLNVYPZOSW-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77291;MM77291;CN=C(NN=COC)OC;PJTCNABPKNQAEF-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77292;MM77292;CCOC(OCC)C(=N)N;KDPBTKVANKRYFT-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77293;MM77293;C#CC(C)(CO)COC=O;DHKKKQOPYGKIMN-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77294;MM77294;C=NNC(CCN)C(=C)C;LRGFPEJFNDGOSB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77295;MM77295;C#CC(O)(CO)COC=C;CMMMRJCSFSQNHW-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77296;MM77296;C#CC(C)=NNC=NNC;CSWNCPJJIKYIGN-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77297;MM77297;C=CCC(C(C)N)N(C)C;RHEMKKNKYGQSHF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77298;MM77298;C=C(F)C(CCN)N(C)C;IUJGZKFXGZOTIM-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77299;MM77299;C=CC(CN)CCO;GMHYKEJSPXHMBP-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77300;MM77300;CN=C(C#N)NC=CC=O;VGSAJMJWXNKLOT-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77301;MM77301;C#CC(C)(CO)OCC#N;AYBCHAZJFWDMMM-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77302;MM77302;C#CC(C)(OC)OCC=O;YAXMYSZYEJYNOP-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77303;MM77303;C#CC(C)(OC)OCC#N;DTRNWXZPSVZGIC-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77304;MM77304;C#CC(C)(CF)ONC=O;IKTCZJBRFBKDNR-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77305;MM77305;C#CC(C)(OC)ONC=O;RWNXTPMAYCONAG-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77306;MM77306;C#CC(=NN)NOC=O;AEMPRHXTRNDIDD-UHFFFAOYSA-N;127.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77307;MM77307;C#CCCC(O)(C#C)CO;DUYZIMDJLXENIG-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77308;MM77308;C#CCOC(C)(C#C)CO;NFXFJMAJRMQGQM-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77309;MM77309;C#CCOC(C)(C#C)OC;STHJUMNJRMYRIJ-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77310;MM77310;CC(C#N)(C#N)CCCO;ZPODQWSXSPWVAL-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77311;MM77311;C=CC(N)(CF)CNCC;SHKGULMYWNMNKO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77312;MM77312;C=CC(O)(C=C)CCCO;KIOBFQQEFSRYOV-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77313;MM77313;N#CC(O)(C#N)CCCF;CQRZRIAEMFBULT-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77314;MM77314;N#CC(F)(C=O)CCCO;VSDPHAMXVDHTCF-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77315;MM77315;N#CC(F)(C#N)CCCO;AVZBWRCPYIVMHU-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77316;MM77316;C=CC(CC)(CNC)NC;RDHIOWVVHWEEKY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77317;MM77317;C#CC(=N)NCC(=C)C=O;PYIZWADTRXWDKD-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77318;MM77318;C#CC(N)C#CC(C)CN;MPKLWDCYURHJIG-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77319;MM77319;C=CC(C)NC(CC)CN;FSDQXYVHXYVWDC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77320;MM77320;C=CC(CC)NC(C)CN;VOEKZCZORNIGTH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77321;MM77321;COCCC(C)(C=O)C=O;ISGYIHYJJVVECL-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77322;MM77322;COCCC(C)(C#N)C=O;IHXPRBFWBNTXNM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77323;MM77323;COCCC(O)(C#N)C=O;OFZQIFNXSFRCON-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77324;MM77324;C=CC(CC(C)=CF)NC;GOLSKKMJOOFKPG-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77325;MM77325;C#CC(C)C(C)C(N)CN;QZKUOCYTBAYUSH-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77326;MM77326;C=NN(C)C(=N)C(=N)NC;BUAAYPNDKZDBCG-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77327;MM77327;CNCCC(C)C(=O)OC;GSHLTVPIUTWIRN-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77328;MM77328;CCC=CC(N)C(C)CF;ZLDQCMZYTVDLLL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77329;MM77329;CNCCNCC(C)CF;HKPDDNZCOJWBGJ-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77330;MM77330;C=CC(O)(C=O)COCC;JGVOOQMCGREFCD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77331;MM77331;CC=CC(CN)CCO;WNIWWSICQNHXRP-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77332;MM77332;COCC(C=O)NCC#N;KVHICYLWNWVCHI-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77333;MM77333;C=C(CN)CNCCCC;AUEQCJXYRCPHRI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77334;MM77334;CC(C=O)(C=O)OCCO;UKIDUYKUZDNDOY-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77335;MM77335;CC(C#N)(C=O)OCCO;YGYWCIBGMNSRRH-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77336;MM77336;CC(C#N)(C#N)OCCO;OEVPGXKIFOOXQG-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77337;MM77337;CC(C#N)(C=O)OCCF;JJKDSRZWDJVCFB-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77338;MM77338;COCOC(C)(C#N)C=O;JGWZWTIZUYERGP-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77339;MM77339;COCOC(C)(C#N)C#N;ZSWWMDGNMACLKC-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77340;MM77340;CC(C#N)(C#N)CCC=O;YJKKKEGLNKJBRR-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77341;MM77341;CC(C#N)(C#N)CCC#N;QQCFZGKNADNZNQ-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77342;MM77342;C=CC(O)(C=O)CCC=O;LSPAJKIIKMLZOE-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77343;MM77343;C=CC(O)(C#N)CCC=O;GIVHSQHAVUDATI-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77344;MM77344;C=CC(O)(C#N)CCC#N;BYAQBURETOCYIZ-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77345;MM77345;C=CCCC(O)(C#N)C=O;OGPUPQWDHKGPBW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77346;MM77346;O=CCCC(O)(C=O)C=O;DUPFVFKERQHUCI-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77347;MM77347;N#CCCC(O)(C#N)C=O;FUEYFZDEAAOVND-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77348;MM77348;N#CCCC(O)(C#N)C#N;IIONNRDMGOPUIC-UHFFFAOYSA-N;135.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77349;MM77349;N#CCCC(F)(C#N)C#N;JYNJLPWMVQNIGL-UHFFFAOYSA-N;137.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77350;MM77350;C=CC(C)(C#N)CNC=O;IKWYYSWLHSAGFX-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77351;MM77351;CNN=C(C=CN)OC;MYRWLPINXSIINP-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77352;MM77352;CC(C#N)(C=O)CNC=O;DLJJSBCPRQVNSB-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77353;MM77353;CC(C#N)(C#N)CNC=O;LIRFLPLBFOVAIS-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77354;MM77354;C=CC(O)(C#N)CNC=O;FXCLEBYFYCQXTD-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77355;MM77355;O=CNCC(O)(C=O)C=O;CWFPMBURCOYBHO-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77356;MM77356;N#CC(O)(C#N)CNC=O;HUVPZUOSENJNST-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77357;MM77357;C=CC(F)(C#N)CNC=O;ZWKCXEIQPKBPLN-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77358;MM77358;N#CC(F)(C=O)CNC=O;SFCAOWQRQDIANR-UHFFFAOYSA-N;144.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77359;MM77359;N#CC(F)(C#N)CNC=O;ZGZARIIFSSJCEM-UHFFFAOYSA-N;141.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77360;MM77360;C#CC=CC(CN)CCO;ATJIDJOUNZEBQD-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77361;MM77361;C=C(C=C(C)CNC)CO;YDPHYFPDWHPQMH-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77362;MM77362;CNN=CN(C=O)NC;JSIQNHMMKNIGKS-UHFFFAOYSA-N;130.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77363;MM77363;C=NNCC(O)(C#N)C=O;MNUBYSIGQAUTAB-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77364;MM77364;C=NNCC(O)(C#N)C#N;PPHLXEHTFGENFY-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77365;MM77365;C=C(CO)CC(=C)C(C)N;UKDUTGCIUZPIQJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77366;MM77366;C=C(CO)CC(=C)CNC;KVWNEUOTDFCTGB-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77367;MM77367;C#CC(CN)CCCO;YSOFTKHCRSIBAW-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77368;MM77368;C=COCC(C)(C#N)C#N;YEYNSNJDFJMABF-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77369;MM77369;CC(C#N)(C#N)COC=O;FLKGCHMEPRUCOS-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77370;MM77370;C=COCC(O)(C=C)C=O;TVNJARVCZJBPMY-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77371;MM77371;C=COCC(O)(C#N)C=C;HADSWPKRCQEYCG-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77372;MM77372;C=CC(O)(C#N)COC=O;CCVIJKXAOSOFQK-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77373;MM77373;C=COCC(O)(C#N)C#N;IMQAOMNOCPGNOP-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77374;MM77374;C=CC(F)(C=O)COC=O;HTURASGGUUGSAJ-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77375;MM77375;C=CC(O)(C#N)CON=C;UAPGIRSVARXJLT-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77376;MM77376;C=NOCC(O)(C#N)C=O;IXPGJPFTKIAYEG-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77377;MM77377;C=NOCC(O)(C#N)C#N;IMLXWWWDOAFBHH-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77378;MM77378;CC=NOCOC=NN;QEUNPJJBAQQGLC-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77379;MM77379;N=CN(N)CCC#CCF;PDQAMFBBIABYGT-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77380;MM77380;CC(=CC(C)(C)N)C(N)=O;FKKADRBWNYZIMD-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77381;MM77381;C#CC(N)CC=CCNC;RWTABEAICBESBF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77382;MM77382;CC=NNC(=N)CF;AKQABGMCKAMRLK-UHFFFAOYSA-N;117.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77383;MM77383;C#CC(F)CON=C;JKDDWFOCZXLFPG-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77384;MM77384;C=C(CC(N)=O)C(C)CN;VQBGRODHEPCYJD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77385;MM77385;C=NNCC(F)(C=O)C=O;VLWVRTWJHOECAC-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77386;MM77386;CC(C#N)(C#N)NNC=O;LTBDVJDFJVEMAQ-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77387;MM77387;CC(C=O)(C=O)OCC#N;VZHIJMMDJXZEMK-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77388;MM77388;CC(C#N)(C=O)OCC=O;ORDAZCQJCXZLCG-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77389;MM77389;CC(C#N)(C#N)OCC#N;IREBZKSKXGFKKV-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77390;MM77390;CCNCC=CC(C)=NN;JVZDZAZJBUVXEW-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77391;MM77391;CC(C#N)(C#N)ONC=O;IELJXERJBOJBOF-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77392;MM77392;C#CCCC(O)(C#N)C=O;IDQZQIDARSRXTB-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77393;MM77393;C#CCCC(O)(C#N)C#N;DMRKBNYPFQXDIC-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77394;MM77394;C#CC(NN=C)C(C)CN;YSFZTSAIQACDDI-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77395;MM77395;CC#CC(OC)C(=N)NC;XXXJDLAMZODMHV-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77396;MM77396;CC=C(C=NN)N(C)C=N;SAPQYCCRLTXJRX-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77397;MM77397;C#CCOC(C)(C#N)C=O;PEVQDPPFEYQSDB-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77398;MM77398;C#CC(=CCN)C(N)CC;HMWNGDFSHOQCCD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77399;MM77399;CCN(C=N)N(C)CC=O;SCRDSNCOIYTIKQ-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77400;MM77400;C#CC(O)(C#N)CCCF;BOQGMNPYCZNABQ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77401;MM77401;C#CC(F)(C=O)CCCO;ZOLLROYPNMFVAQ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77402;MM77402;C#CCC(C=CCN)NC;VUNLQNYOBSXLMP-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77403;MM77403;C#CC(O)(C#N)CCOC;FEUADJNMDLPFEX-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77404;MM77404;CC=C(C=NNC)NC=N;UDCNQBXDNHAUEW-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77405;MM77405;CCOCC(=N)NCC=O;APQHAUMHTHBKSF-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77406;MM77406;C#CC(F)(C=O)CNN=C;UNXQZLKPWPIRNP-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77407;MM77407;C#CC(O)(C#N)COCC;ZNBFADMLEPQPFQ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77408;MM77408;C#CC(C=C)C(CN)NC;WVWAVMLREZHKSF-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77409;MM77409;C=NNC(=O)C(N)=NN;GGDCBYDSAZXZBZ-UHFFFAOYSA-N;129.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77410;MM77410;C#CC(CN)C(C=C)C=C;MBBUFNSHVXWELD-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77411;MM77411;C=NOCC(C)(O)C#N;MMUKNLANCVDWPP-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77412;MM77412;C=CC(C#CCCN)NC;UMQSKHGVTSICLK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77413;MM77413;C#CC(C)(C#N)OCCO;VBSCSGFZUPPROL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77414;MM77414;C#CC(C)(C=O)OCOC;XYKHRLFRQRLSPG-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77415;MM77415;C#CC(C)(C#N)OCOC;SBLYGKSAQXXZPI-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77416;MM77416;C#CC(O)(C=C)CCC#N;LHSIPNKNHGAUOQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77417;MM77417;C#CC(O)(C=O)CCC#N;UQPGRIKFQLGBHW-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77418;MM77418;C#CC(O)(C#N)CCC=O;HYJSBJGPQVIGHK-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77419;MM77419;C#CC(O)(C#N)CCC#N;LBWNZHRLTZFMQJ-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77420;MM77420;C=CCC(N)C(C=C)NC;BHGUMNOAAIPYAF-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77421;MM77421;C=CC(CN)C(N)C#CC;UJZGMFYPPZQVEG-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77422;MM77422;C#CC(C)(C#N)CNC=O;UMNFSBNNDNUHGJ-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77423;MM77423;CC=NNC(=O)N(N)CC;MTKWXCIPTIYWFJ-UHFFFAOYSA-N;144.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77424;MM77424;C#CC(O)(C#N)CNC=O;OCBMAKNDZYHJQA-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77425;MM77425;C=CCNCC;PUUULGNNRPBVBA-UHFFFAOYSA-N;85.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77426;MM77426;C#CC(F)(C=O)CNC=O;VVUFTAUTEWKKQZ-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77427;MM77427;C#CC(F)(C#N)CNC=O;FXEIJSGTNSYQAL-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77428;MM77428;CC#CCCN;IFGQNSAUMOFJNS-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77429;MM77429;CN(C)C(N)=CC(=O)NN;IRQYIIHSBOUYII-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77430;MM77430;C#CC(O)(C#N)CNN=C;PHVCJENLJRXRIX-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77431;MM77431;C=C(F)C(CC=O)CNC;QWKCOJJHBHQPOU-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77432;MM77432;CC(=CC(N)=O)C(C)CN;ADLPDPMHCRUCEI-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77433;MM77433;C#CC(O)(C=C)COC=O;LDTMJANOCWGQRP-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77434;MM77434;C#CC(O)(C=O)COC=C;ZVRDRNQQSWPGRU-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77435;MM77435;C#CC(O)(C#N)COC=C;VVMBXTUPIPBCMW-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77436;MM77436;C#CC(O)(C#N)COC=O;RTLGAKUMPSALNU-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77437;MM77437;CCCCNCCC(N)=O;XQVFSQZADCUSDH-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77438;MM77438;C#CC(O)(C=O)CON=C;FHABZVNBHIPQPM-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77439;MM77439;C#CC(O)(C#N)CON=C;HQSZQLNYHZSZBY-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77440;MM77440;CNCCC#CC(C)C=O;QMIJKXVTZFCTPR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77441;MM77441;NCCC1CN1;DXBJDJDFIJWEDF-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77442;MM77442;N#CC=C(CC#N)NC=N;DDVJXBRCZLRJCK-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77443;MM77443;CC=CN(N)C(=NN)NN;NIGABHZIXZNOTE-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77444;MM77444;C#CC(C)(C=O)OCC=O;LAULLFVZKAZOCY-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77445;MM77445;C#CC(C)(C=O)OCC#N;PEEQPRWEGOXSPZ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77446;MM77446;C#CC(C)(C#N)OCC=O;XYWOOXPPJLOYAL-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77447;MM77447;C#CC(C)(C#N)OCC#N;MLQBXJFNRKFTQS-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77448;MM77448;C#CC(C)(C#N)ONC=O;JSJSPOPHPRJSAQ-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77449;MM77449;C=CCC(N)C=C;WEEQJHPCOHDOJT-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77450;MM77450;C=C(F)C=CC(C)N;VUOHCMTYRBAKPC-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77451;MM77451;C#CCOC(C)(C#C)C=O;AAGXGDDAUUXBMM-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77452;MM77452;N=C(N)C#CC=CF;SQUWGWOJUBXXEU-UHFFFAOYSA-N;112.11;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77453;MM77453;C#CC(O)(C#C)CCCO;FTMWYDIBWLLJLI-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77454;MM77454;C=CC(C)C=NNC(=N)N;LTRLCGIIAIMTEH-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77455;MM77455;C#CC(O)(C#C)CCOC;TVCQMQRJZNQQKL-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77456;MM77456;C=NNC(C)CCN;GSOBSTJTYLBGJZ-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77457;MM77457;CN=C(NN)NOC;WHFRQAUKAIBKOY-UHFFFAOYSA-N;118.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77458;MM77458;C=C(C)C(N)CCF;HEVGKHUMISCXPB-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77459;MM77459;CC=CCNNC=O;ZGHMJEALYIXHLK-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77460;MM77460;CNC(C)(CN)CN;TZYNAVCZTLUNDI-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77461;MM77461;C#CC(C)(C#C)OCCO;UDJHIXZBHOAPAF-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77462;MM77462;C#CC(O)(C#C)CCC=O;ZKPVSKHYAZLCJD-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77463;MM77463;C#CC(O)(C#C)CCC#N;AXHPIUAEJLSNFO-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77464;MM77464;C#CC(C)(C#C)CNC=O;XJMLTARVYOWNIH-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77465;MM77465;C#CC(F)(C#C)CNC=O;LEWSQSOZPQMFQK-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77466;MM77466;C=CC(N)C(C)CF;WBCHWPNZGJCMPG-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77467;MM77467;C#CC(O)(C#C)COC=O;CNZYTCJXOFFKMP-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77468;MM77468;C=CC(N)CC=CF;NNLCYFNESOTUAT-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77469;MM77469;C#CC(O)(C#C)CON=C;QHZLQQJVLWLGQF-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77470;MM77470;CC(O)C(=O)N(C)N;NFRXVCWXCNVUHB-UHFFFAOYSA-N;118.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77471;MM77471;C=CC=CC(C)NC;OMUSJMLLLFJSCD-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77472;MM77472;C#CC(C)(C#C)OCC#N;CEOHTCZNRCRYGI-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77473;MM77473;C#CC(C)(C#C)ONC=O;LTUPAIURPVSTIJ-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77474;MM77474;COC(OC)C(=N)N;GEFAWXQACXMZBX-UHFFFAOYSA-N;118.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77475;MM77475;CC1CC1(CN)CN;YJKYCMLELCXQFN-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77476;MM77476;CN(N)C(=NN)NN;VAVDLMIDRXJSNX-UHFFFAOYSA-N;118.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77477;MM77477;CC(C=C(F)CO)=NN;FHESYAKGGJWODI-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77478;MM77478;CNN=CC(F)C(C)(C)O;SHKSJLJMAQIUCK-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77479;MM77479;CC=CCC(O)(CO)CO;NDTDCOWADJYPSO-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77480;MM77480;C=CC(C)(N)C(N)CC;RJTFAZJDPBIENJ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77481;MM77481;C=CCNN=CC#CCO;ORMDWLZDZXTIJT-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77482;MM77482;CC=NOCC#CCO;AZJVIAVPLUKRRY-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77483;MM77483;COC(C)(OC)C(=N)N;HPPYASNQUZDNJB-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77484;MM77484;COC(C)(CO)CC=NO;ADXSRZBULIBMIU-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77485;MM77485;C=C(C)C=CC(C)NC;PMKRJUKSNWTQND-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77486;MM77486;COC(C)(CC=NO)OC;IXBOCCJXRBHTDF-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77487;MM77487;CNNC(=NN)NN;QTILHBUIUVFXQB-UHFFFAOYSA-N;118.14;-2.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77488;MM77488;CCNN=CN(O)CC#N;DCKBGMPONNQHFC-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77489;MM77489;CN=CN(C)CC(C)=O;NTRUQQLUROJKCK-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77490;MM77490;CCNCCC(=O)COC;KZZHELXOEXOSNH-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77491;MM77491;C#CC(C=C)N(O)C=NN;SDPFKUITBPMSNV-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77492;MM77492;CC=COC(C)(CO)CO;ULVXUCDXODGHRB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77493;MM77493;CNN=CC(=CC#N)CO;NUFUQDABMQAZTN-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77494;MM77494;COC(=O)C=CC(C)N;XUMXBEOXYOHXFJ-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77495;MM77495;C=NOC(C=O)ON=C;MIAFZAZLBYDBCG-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77496;MM77496;C=C(C#CC(=N)N)CF;VJBKAHGAYAWHDW-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77497;MM77497;CCC(=O)CN(C)C=NC;POOWKTDAMYMHNE-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77498;MM77498;CC=CCC(O)(C#N)CO;QSAIPJDGKMULQP-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77499;MM77499;N#CC(O)(CO)CC=CF;COZKIPPTMFPSDD-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77500;MM77500;C#CC=NNCCC=O;QGIHOYKUYBZZNB-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77501;MM77501;CC(C=O)(CO)CC=NO;ZFZYYMFZAFOZDO-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77502;MM77502;CC(C#N)(CF)CC=NO;MFWXKLTYIRWLAB-UHFFFAOYSA-N;144.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77503;MM77503;C=NNC=NC(C#N)=CN;KTJJHEJWRFWELH-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77504;MM77504;CNCC(C)C(=NN)OC;VMMLGHFICCJEGD-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77505;MM77505;C=CC(F)(CO)CC=NO;XYVVELQMVNIEKW-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77506;MM77506;CNN=CC=CC(C)N;ZWWHNODQCGZJKI-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77507;MM77507;N=CNC(=CF)NC=NO;YMBPPKVBBGFAOG-UHFFFAOYSA-N;146.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77508;MM77508;COC(C)(C=O)CC=NO;HSUKBNCGGQZAMW-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77509;MM77509;COC(C)(C#N)CC=NO;IUCMUDOTOGBORA-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77510;MM77510;CON=CC=CC(C)N;MGFSDMWFFJGBRZ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77511;MM77511;CC=NNC(C)CCN;QIKKFMGNKNABQH-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77512;MM77512;C=NNC(=NN)OC;CLXMSXJIZYYYJA-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77513;MM77513;NCC(CF)CCC=NO;SHJLFRIVXGNDRW-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77514;MM77514;C#CC(=NO)NC(=N)NC;PRNOHYDSNSPJJV-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77515;MM77515;CC=COC(C)(C#N)CO;LJUVZVPWNPAJJZ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77516;MM77516;C=CC(C)(CO)OC=NO;SWZQUUGSFDFJHU-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77517;MM77517;C=CC(C)(OC)OC=NO;HFZSSHICVZHWCM-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77518;MM77518;CN=C(NC=O)C(=N)N;UGSDRSVJEIBPNI-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77519;MM77519;C#CC(O)(CO)CC=CC;VBEXERWEQSPKRF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77520;MM77520;CNC(C)CC(=O)CC#N;MQAFTJASTCTNLR-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77521;MM77521;C=CC#CC(N)CCN;AGDFHDPPSBGBHY-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77522;MM77522;C#CC(=NN)N(C=N)N=C;SUGMAPFHKFOROH-UHFFFAOYSA-N;137.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77523;MM77523;C#CC(O)C(C)(C)CCN;YNKOYZOGQICHFM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77524;MM77524;C#CC(O)C(C)CCN;SUCPXIGRMKYUTN-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77525;MM77525;CC(C(=N)N)=C(F)C=O;LGSHVDMYAMMGBI-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77526;MM77526;C=NN(C=NN)CC=CF;UFMWIWQRYYNSJY-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77527;MM77527;C#CC(C)(OC)OC=NO;RRUWWMDLHIVLOQ-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77528;MM77528;C=C(C)C(N)CCOC;ZMDKZSOUPGTHNJ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77529;MM77529;C#CCNC=NOC=O;NLHMOANZWNAFKH-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77530;MM77530;O=CC(O)(C=O)CC=CF;AGXUAZWFOTUZNL-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77531;MM77531;N#CC(O)(C#N)CC=CF;MVNNBWHYHOTELX-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77532;MM77532;CC(C#N)(C#N)CC=NO;PXMXVAUUQCIKDO-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77533;MM77533;C=CC(O)(C=C)CC=NO;VQWQEUDYHVBWHN-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77534;MM77534;C=CC(O)(C=O)CC=NO;GSCHHSJTZBRAHJ-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77535;MM77535;C=CC(O)(C#N)CC=NO;WKAVWYGAPHECTG-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77536;MM77536;CNC(C)C=CC=NN;YRSOHZHSAZKDBF-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77537;MM77537;C#CC(=NN)C(=O)N(C)N;GFKGMSDDFGGPPU-UHFFFAOYSA-N;140.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77538;MM77538;C#CC(=CF)N=CNN=C;AUXLZUGCUBBMEA-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77539;MM77539;CC(C#N)(C#N)OC=NO;FPCVMCIQNUWEAU-UHFFFAOYSA-N;139.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77540;MM77540;C#CCC(=C)N(N)C=N;OTWQLMLYTWRZAF-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77541;MM77541;CNCC(CCF)NC;FWGGMJVJWFHFKT-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77542;MM77542;C#CC(O)(C=O)CC=CF;BHYNEVNWPJMTBL-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77543;MM77543;C#CC(F)(C#N)CC=NO;WZFDQCIRWORWEY-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77544;MM77544;C=CNC(C#N)=NCCF;XLHCBGHGTSFTSM-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77545;MM77545;C=NOCC(C#N)=NNC;OZDFAFTVXZBGRL-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77546;MM77546;C#CC(C)(C=O)OC=NO;QPFQAQROKBWPQL-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77547;MM77547;C#CC(C)(C#N)OC=NO;UJZXASLQGAVIAP-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77548;MM77548;CC(C)N=C(N)C(=O)C=O;ANSGENZMQBIEGF-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77549;MM77549;C=NNC(CC)CCN;ZQHCALFJNINGBA-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77550;MM77550;CC(C)(CCN)C(O)CF;QVPJHLGGADIKQF-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77551;MM77551;C#CC(C)(C#C)OC=NO;QSRFZOSVXGPTIP-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77552;MM77552;CC#CCC(C)(CO)CO;KUGVQHXGKJPPEW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77553;MM77553;C=CC(O)(CO)CC#CC;VPZXGABCNPAUAF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77554;MM77554;CC#CCC(O)(C=O)CO;OPBPOSMBVVAZLU-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77555;MM77555;C#CC(O)(CO)CC#CC;QRYMJYTYPOCBHE-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77556;MM77556;CC#CCC(O)(C#N)C#N;JMWCMGYHERBPDT-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77557;MM77557;CNN=CC(C)(O)C=O;JYCMQKAKAQYETA-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77558;MM77558;CN(N)C(=O)C(C)(C)O;AOEHOOSDZSRIQI-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77559;MM77559;CC(CCN)C(C)(O)CF;DTQZSNHACQZUNA-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77560;MM77560;CC(C=CCO)(CO)CF;YGABIGDMAADLAM-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77561;MM77561;C#CCC(CCF)NC;XQSIQQXMPYVXQG-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77562;MM77562;C#CC(=C)C(C)(O)CNC;PKCHITCSDWSWRY-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77563;MM77563;C=CCC(C#CC)CN;VBCWRNKZHQPJIU-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77564;MM77564;CC(CCN)C(C)(O)CO;LSOCDBJBORCFTL-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77565;MM77565;CCOC(OC)C(=N)N;NKPSDMBLGOMWNF-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77566;MM77566;C=CC=NOC(C#N)CO;KOXCXBMHWPCJOQ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77567;MM77567;CC=C(CCCN)NC=O;YVDFGRXNPZXXQD-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77568;MM77568;CCC(O)(C=CCF)CO;HVSHCRSNZMZOBV-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77569;MM77569;CC(O)C#CC=NN(C)C;GPVPTACTNXUTEO-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77570;MM77570;C=NNC(C)(C#N)C(N)=O;SJNHLNZUQWGKRZ-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77571;MM77571;CCC=CC(O)(CO)CO;KGRRZRMJAXUMOF-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77572;MM77572;C#CC(C=C)(CC)CN;FDUCMBOLAXBAIL-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77573;MM77573;COC=CC(C)(CO)CO;HVJUEPKOZBFKQZ-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77574;MM77574;CC(=O)NC=CC(C)CN;ZEJBSYLCJQYSNE-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77575;MM77575;C#CC(CN)C(C)C=C;PABADOHYJPBNNV-UHFFFAOYSA-N;123.2;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77576;MM77576;CON=CC(C)NC(C)=O;LQFQBYYPZHEZKP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77577;MM77577;CC(O)C(C=NN)=CF;GFFOACKTUZVWHU-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77578;MM77578;CC(=N)NOC(C)(C)C=O;YNFOFVSKSBQKRR-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77579;MM77579;C=NN=C(N=CNO)OC;XNCXECMTBXLEJU-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77580;MM77580;COC(C)(C=CCO)CO;AQXPUCSKPPBXPR-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77581;MM77581;COC=CC(C)(CO)OC;YXNBYJVDWOPZTO-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77582;MM77582;C#CC(C)(N)C(C)(C)NC;AFVMIZGEMDPOFP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77583;MM77583;COC(C)(C=CCO)OC;SVBWLNQUGZAMFU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77584;MM77584;C=NN(C=CC#N)CCO;HSVWVMJBVYLSMI-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77585;MM77585;CC(=CC(C)CN)NC=O;GWINNDFMLVERLZ-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77586;MM77586;COC(C=CCO)=NN;JKDNYYJPAFNVNC-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77587;MM77587;CC(=CC(F)CO)C(C)N;XEFUBJCTGBDHLR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77588;MM77588;C=C(C=CF)NC(=N)CO;ZHMRMTOIZLIBQP-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77589;MM77589;C=CCNC(CO)=NC=C;IVAFUULQBKSFKS-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77590;MM77590;COCC(C)=NNCC=O;BXYXFLMZEZYVGG-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77591;MM77591;C=C(F)CC(C)(CN)CN;KWIIFPWDCDWOTR-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77592;MM77592;CC(C=CC=O)(CO)CO;PWRBHWBQXKAQFM-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77593;MM77593;CC(C=CC#N)(CO)CO;MJJVUAMINAIDPF-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77594;MM77594;C#CC#CC(C)(N)CCN;NUJGPXMHOHKODJ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77595;MM77595;CCC(O)(C=CC#N)CO;SYSVIPDYVQFTPC-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77596;MM77596;CC(N)C(C)(O)CCF;LIFXFOFRWTUYAQ-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77597;MM77597;C=CC=CC(O)(CO)CO;HAHNOPAVKZXVCQ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77598;MM77598;C=CC=CC(O)(CO)CF;QBAGEJDJPGXIOX-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77599;MM77599;C=C(C)C(O)C(C)CCN;STKZLZZCVHYXKG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77600;MM77600;COC(C)(C=CC=O)CO;XOFPDPATJGQUAZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77601;MM77601;CC(N)C=CC=NN(C)C;DAQIZGYYLWJNSO-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77602;MM77602;C=NN=CC(C)(CO)CO;RBEPGGFSTUDNSU-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77603;MM77603;CC(C)(CN)OC=CCN;WQPILIYZKFQOSK-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77604;MM77604;C=CCNC(C#N)C=O;FNOXLFFYOMMFRW-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77605;MM77605;C=CCCC(C)(O)C(C)N;BLBWMGSNFCMLJM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77606;MM77606;C#CC(C)(N)CC=CCN;LDJMVENGCVBNKZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77607;MM77607;C#CCC(N)C(C)(C)CN;ZBZFVSDCDRYFPM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77608;MM77608;C#CC=CC(C)(CO)CO;DIFIQEGJFRTUSI-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77609;MM77609;C#CC=CC(O)(CC)CO;YLFIKYRMWPCGBB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77610;MM77610;CC=NOCOCCC=O;AZQZBSUUFZZQMX-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77611;MM77611;CC(=NN)C(F)C=NN;JDHOYIBOLFBRLG-UHFFFAOYSA-N;132.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77612;MM77612;NN=CNN=COCCF;BAUSZIWCBFZRTP-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77613;MM77613;CN(CC#N)CC=O;ODVCGJIUMWASDD-UHFFFAOYSA-N;112.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77614;MM77614;COC=CC(C)(C=O)CO;HBQCLCDVXKXFRU-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77615;MM77615;COC=CC(C)(C#N)CO;GEXIDVDIWMYLIX-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77616;MM77616;CCOCC(=O)N(C)C=N;HJGNWKFLTADIRO-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77617;MM77617;CCC(O)(C#N)C=COC;DBJLPKSPPYLPLL-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77618;MM77618;CNN=C(C(C)=O)N(C)C;JMXRMMZLADPSER-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77619;MM77619;C=CC(O)(C=COC)CO;UVZMTCLNVJZDHK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77620;MM77620;COC=CC(O)(C#N)CO;YTBNUSULOPTDAR-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77621;MM77621;COC=CC(F)(C#N)CO;SXJOYSANFCFVNZ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77622;MM77622;COC(C)(C#N)C=CCO;DGKMFPQDYVHVSI-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77623;MM77623;C=NNC(C=O)=NOCC;ZLCNEWLGLVLDTJ-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77624;MM77624;CC(N)C(C)(O)CCCF;UXCBIGDGODWKCP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77625;MM77625;C=CCOC(=O)C(N)=NN;LLYAIDFETDOCSH-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77626;MM77626;CCC(O)(C#N)C=NNC;PVHDEXXWNPJQRD-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77627;MM77627;CNN=CC(O)(C=O)CO;MNAKCRQOWHCBAT-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77628;MM77628;CNN=CC(O)(C#N)CO;CIPBQXBTHKYUAV-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77629;MM77629;CCC(N)C(O)CCF;YAFLLLZXXOLGGA-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77630;MM77630;C#CCC(O)CNC;QQKVXVCYMBKZJP-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77631;MM77631;C=CC(O)C(C)CCN;AGUOVRATHYNONV-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77632;MM77632;C#CCC(N)(C#C)CCN;YWHRAHAJWJPZKN-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77633;MM77633;CCC(N)C(O)CC;IOYVGJNAPMXLLT-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77634;MM77634;CNCC(C)(OC)C(C)N;YXBQFADOEXXWLA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77635;MM77635;C=C(C)C(N)(CF)CCN;RGUNBLDVVGNZGW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77636;MM77636;C#CCC(O)C(C)CCN;QQRNNUGIHKRMSM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77637;MM77637;C=C(C)C(N)(CC)C(C)N;FZRTZOKEFHSXCZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77638;MM77638;CC(C=O)(C=CC#N)CO;ZGOQYDYDXAIPLV-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77639;MM77639;CCC(O)(C#N)C=CC=O;KWOZRQMQMUVHSM-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77640;MM77640;C=CC(O)(C=CC=O)CO;MNWRLLDIHXEOND-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77641;MM77641;C=CC(O)(C=CC#N)CO;DCMIHYAXLBKQPB-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77642;MM77642;C=CC=CC(O)(C=O)CO;FMCNUIIMBQFAII-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77643;MM77643;C=CC=CC(O)(C#N)CO;HQGOBCIFQFKSQA-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77644;MM77644;N#CC(O)(C=CC=O)CO;FGXQGOKUSUTAAF-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77645;MM77645;N#CC=CC(O)(C#N)CF;ZJISPMBUKJTQCY-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77646;MM77646;O=CC=CC(F)(C=O)CO;BCKKGBVOTQGKBE-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77647;MM77647;N#CC(F)(C=CC=O)CO;IHUOSHADTCHNCH-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77648;MM77648;N#CC=CC(F)(C#N)CO;PZQPQRBDORVQEC-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77649;MM77649;C=CC(N)CC(N)C(=C)C;CGTGLUMZEURJHN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77650;MM77650;CN(C=NN)N=CC=CF;JGSURYLGLQJCDO-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77651;MM77651;CN=C(NO)NNC;BYVIDIHBJSVAQJ-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77652;MM77652;C=NN=CC(O)(C#N)CO;ZRGNCFWRAVEQAB-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77653;MM77653;C=NN=CC(O)(C#N)CF;GWVLLORPMDGSIX-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77654;MM77654;C=NNC(=NC)ON=CC;ZJWQGHDDAZRPLU-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77655;MM77655;CC=NOCOC(C)C=O;YTKWSLJRJNOHET-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77656;MM77656;C#CC=CC(O)(C#N)CO;VKDUNIHZYIPLBA-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77657;MM77657;C=NNCC(=C)C(=O)C#N;PLTOZYKLLZVEHF-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77658;MM77658;C=C(C)C#CC(N)CCN;TZPMXDVFQMMZQJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77659;MM77659;C#CC(O)(C=CCO)CC;VYBHCWYKOQQHKG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77660;MM77660;C#CC(O)(C=CCC)CO;GVFBFMHPGAARKB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77661;MM77661;N#CC=CN=CNC(N)=O;OMZGFCJESYOYNZ-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77662;MM77662;C#CC(=NO)NCC=C;BTXHDZDTHSYSBR-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77663;MM77663;C#CC(O)(C=COC)CO;FPJSSJYCSBRGOK-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77664;MM77664;C#CC(F)(C=COC)CO;KEIKOADZSREAMU-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77665;MM77665;C=CC(=C)CNCC(C)N;GKYXVMNDZHZAHQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77666;MM77666;C#CC(O)(C=NNC)CC;NMPNFGXTKDTMDG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77667;MM77667;C=CC=NNC(C)CCN;VXYHYGPAMRVDNH-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77668;MM77668;CC#CC(O)C=NN;LXIDXSKIUJRJJK-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77669;MM77669;C#CC=NNC(C)CCN;MABKVSVOEVPNIE-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77670;MM77670;C=NOCC(F)C=O;MJKNSCSJJHLWEK-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77671;MM77671;C#CC(O)(C=NNC)CO;ISBSDHKURRZAJR-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77672;MM77672;CCNC(C#N)C#CC#N;RKFXEATZXQWXGE-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77673;MM77673;N#CCON=C(CO)NO;YBRGVBLFZQLWPS-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77674;MM77674;CNCC=CC(N)C=CF;WXDBCUVYBKWRIX-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77675;MM77675;C#CC(O)(C=NOC)CF;SGDIMQBQFXOXGG-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77676;MM77676;C=CNC(=N)C#CCNC;OCVZBPLDJOHKFM-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77677;MM77677;NCCC(N)C#CC=CF;XQZXRVHELWIAJX-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77678;MM77678;C#CC(O)(C=CC=O)CO;IWQWTDRCAHRGLV-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77679;MM77679;C#CC(O)(C=CC#N)CO;XDJUFDZUJNFXRO-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77680;MM77680;C#CC(F)C(CO)ON=C;PUPYQSOZSDSFLC-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77681;MM77681;C#CC(O)(C=NN=C)CO;ZLKGSGGHPKQKIW-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77682;MM77682;C=C(C)C(N)C#CCCN;KZTWWLSAFLTSRC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77683;MM77683;C#CC=CC(O)(C#C)CO;PWQOLKIAESMEEB-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77684;MM77684;C=CC(O)(C=C)C=CCO;NXNFMLOCKSDXFF-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77685;MM77685;N#CC(O)(C=O)C=CCO;KIAORMKEOPLJOC-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77686;MM77686;N#CC(O)(C=O)C=CCF;GIWOPRLGBQEXLT-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77687;MM77687;N#CC(O)(C#N)C=CCF;QAIMAJVFRQJGEW-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77688;MM77688;O=CC(F)(C=O)C=CCO;LKQXQCLZIJHFKX-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77689;MM77689;COC=CC(C)(C#N)C#N;TZQZLCQSDNTWHA-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77690;MM77690;COC=CC(O)(C#N)C#N;GUHUEWTVGPRLOK-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77691;MM77691;CNC(=O)NCC=NOC;CGRGRISQHCDGJJ-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77692;MM77692;CC(C#N)CNN=CCO;IEEVHAKWMIOHLM-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77693;MM77693;C=NNC(CF)=NCCO;FFFFUXGVBRQQQD-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77694;MM77694;CCCC(N)C(C)O;QFMJENDXNJEXIO-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77695;MM77695;C=CC(O)(C#N)C=NNC;PVOAVBURBVYCSF-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77696;MM77696;CNN=CC(O)(C#N)C=O;HDHJCNWCHVHTLB-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77697;MM77697;CNN=CC(O)(C#N)C#N;YWINIAMXTFUKFF-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77698;MM77698;CC(C)(CC=O)C(=N)NO;MZDYINOXKVLKLO-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77699;MM77699;NN=CC#CC=CCO;XCTQARMCLKHCBE-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77700;MM77700;CNN=C(C)C#CCCO;YRHRTOONCDYEMC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77701;MM77701;C#CCC(CCN)NN=C;IAGAAVUKTHGHOF-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77702;MM77702;C#CCC(=COC)NC=N;CWGKIPSVOZDKNX-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77703;MM77703;C=CC(O)(C#N)C=NOC;CWHJOOKOAZVALA-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77704;MM77704;CON=CC(O)(C=O)C=O;WVEIFJHMJUTPDW-UHFFFAOYSA-N;145.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77705;MM77705;CON=CC(O)(C#N)C#N;GBNZYFZFEOHABI-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77706;MM77706;N#CC(O)(C=O)C=CC=O;RWXVWWOVOLHMAL-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77707;MM77707;N#CC=CC(O)(C=O)C=O;BGJWFWWQWCTTIO-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77708;MM77708;N#CC=CC(O)(C#N)C=O;CMURCIWVUXNSHV-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77709;MM77709;N#CC=CC(O)(C#N)C#N;JLKPNBWEEQTFKH-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77710;MM77710;C=NN=CC(C)(C#N)C#N;LJIOWIPYHFYPOH-UHFFFAOYSA-N;134.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77711;MM77711;C=NN=CC(O)(C#N)C=O;HTBREVGSARBMGH-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77712;MM77712;C=NN=CC(O)(C#N)C#N;NMFZOMNDHDFIAH-UHFFFAOYSA-N;136.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77713;MM77713;C#CC=CC(O)(C#N)C=O;BVWRMUMWXDYWBH-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77714;MM77714;CN(C)C(C=CF)CCN;NUGCLYDWMZHUIL-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77715;MM77715;CC(O)C(N)CCCCF;KQQRWEFGRZTHJL-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77716;MM77716;C#CC(O)(C=C)C=CCO;ZHFUAHLXFWBZHS-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77717;MM77717;C#CC(O)(C#N)C=CCO;YFCWAFAELTZZCD-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77718;MM77718;C#CC(O)(C=O)C=CCF;XNLQTPPEYVHGQJ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77719;MM77719;C#CC(O)(C#N)C=COC;FQECAUFWQPPFGQ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77720;MM77720;C=CCCCC(N)C(C)O;DEAUKTXURSYVPH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77721;MM77721;C=COC=NNC=NN;NBUPOLFAHSXEOH-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77722;MM77722;C#CC(N)(C=C)C(C)CN;GWYZHABXGBPPKJ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77723;MM77723;CCC(=O)CCC(=N)NO;XYRCPVKQBYKIAG-UHFFFAOYSA-N;144.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77724;MM77724;C#CC(O)(C=O)C=NNC;XRLAPNKWOJRTNA-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77725;MM77725;C#CC(O)(C#N)C=NNC;MBNVZJRZNTWIKZ-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77726;MM77726;C#CCOC=NNC=NN;WGLRHAXFVXSNCI-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77727;MM77727;CNN=C(C=O)N(C)C;NKVKHBRQTXVLEQ-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77728;MM77728;C#CC(O)(C=O)C=NOC;PIJZFDBTBBMETN-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77729;MM77729;C#CC(O)(C#N)C=NOC;DHJQHNIWUAUVLM-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77730;MM77730;C#CC(C=C)(CN)CCF;ZMXYNYPZIWQOCC-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77731;MM77731;C#CC(O)(C#N)C=CC=O;VZDKHBSXFOTZSM-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77732;MM77732;C#CC(O)(C=O)C=CC#N;KFRIPNYAJFVTCI-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77733;MM77733;C#CC(O)(C=O)C=NN=C;DCPLDEYKNLKBQT-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77734;MM77734;C#CC=CC(O)(C#C)C=O;ZROCJXDORKQUFK-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77735;MM77735;C#CC(CN)(CN)C(C)C;FKWWQTQCBPLDLR-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77736;MM77736;C=NNC(=NOC)C(C)=O;CSRJAIGPPAGGKF-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77737;MM77737;CNC(C)C=CC(C)=NN;IGWNHVZVJHMEDQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77738;MM77738;C=CC(C)CN(C=N)NC;SJHMOKLTQBRVDE-UHFFFAOYSA-N;141.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77739;MM77739;C#CC(O)(C#C)C=NOC;MZZNEJSPEFOXRQ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77740;MM77740;C#CC(=NNC)NN=C;JMUFYPVNLQTWQB-UHFFFAOYSA-N;124.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77741;MM77741;CCC#CC(C)(CO)CO;LNDKIPLVJSYGOT-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77742;MM77742;C#CC(CN)CC(=O)OC;UVYNCYDWFSZTDP-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77743;MM77743;C=CC=NNC(=NN)OC;SDOMTNHRBQYLSO-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77744;MM77744;C=CC(C)C(C)C(N)CN;XNGCPRFWBVWOQR-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77745;MM77745;C=C(CNCC)CNCC;NATZRGWAJMUMGI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77746;MM77746;CON(C)C(C=NN)=NN;ONPJZNOHZQOHJD-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77747;MM77747;C=NN=CNNC(=N)C#N;MZQULLARJVBGHP-UHFFFAOYSA-N;138.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77748;MM77748;CCC(O)(C#CCO)CC;OXSALEISXNHGAE-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77749;MM77749;CCC(O)(C#CCF)CC;IJNVEARXMCLBRC-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77750;MM77750;C#CC(=O)C(C)(C#N)NC;BVTONLWKJHQRSU-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77751;MM77751;CCC#CC(O)(CC)CO;XEEAXQJWDCIDIR-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77752;MM77752;CCC#CC(O)(CO)CF;JYWLNVXNPFWJDV-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77753;MM77753;C=CCNC(C)C(C)NC;RVQSJENTUFBVQQ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77754;MM77754;C=C(CNCC)C(C)NC;MRRQNBNLGUXASA-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77755;MM77755;CCC#CC(F)(CO)CO;AMYRRAXWEYUZDB-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77756;MM77756;C=CCCNCC(N)CF;XTDOMXIXBHIRCP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77757;MM77757;C#CC(C(C)O)C(C)CN;QIBAOCUJIPDOFG-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77758;MM77758;C=NOC(C=CN)=NNC;PJIHXPOVEKZNKW-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77759;MM77759;COC(C)(C#CCO)CO;GTUQTUPOICGKFQ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77760;MM77760;COC(C)(C#CCF)CO;SOZSMDNZXYOZMI-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77761;MM77761;COC(C)(C#CCO)OC;SHUGVBLTLDYKPT-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77762;MM77762;CNCCC#CC(C)=CF;RECQALQWVVWADV-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77763;MM77763;C=CC(=N)NO;FJYACARVIOXIAK-UHFFFAOYSA-N;86.09;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77764;MM77764;C=CC#CC(C)(CO)CO;WVVNRIQMCHUSEW-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77765;MM77765;CC(C#CC=O)(CO)CO;CWAUHEXAGKFZBW-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77766;MM77766;C=CC#CC(O)(CC)CO;ONRXDOQXNGHVLS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77767;MM77767;CCC(O)(C#CC#N)CO;XZLFPRVBXFGSAK-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77768;MM77768;N#CC#CC(O)(CF)CF;FCRBVEQTUAOPIN-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77769;MM77769;O=CC#CC(F)(CO)CO;CAMQQBXDVRPFHJ-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77770;MM77770;O=CC#CC(F)(CO)CF;FZRNGJRMYNTOGK-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77771;MM77771;CCC(N)C(COC)NC;QBYHVYMCIJADER-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77772;MM77772;C=CC#CC(C)(CO)OC;NZCZFUZWCNFIDO-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77773;MM77773;COC(C)(C#CC=O)CO;BHVKCUJOUSDMQN-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77774;MM77774;C#CC#CC(C)(CO)CO;XBXWFOCLQMWUCR-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77775;MM77775;C#CC#CC(O)(CO)CF;BFSLUUFUWGZYDH-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77776;MM77776;C#CC#CC(F)(CO)CO;CZWVCXXJBQHMIK-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77777;MM77777;C=NN(C)C(CC)CCN;FWJXZDCOXFSSBS-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77778;MM77778;C#CC#CC(C)(CO)OC;PQFPFDYIUBIMAZ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77779;MM77779;C=C(OC)C(CF)NC=N;HXJMQFCHFDLSPF-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77780;MM77780;CC(C)(O)C=CN(N)C=N;PGMKEWMZSYWZCQ-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77781;MM77781;C=CC(C)(C#CCO)CO;RZUUOOIYVXBGER-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77782;MM77782;CC(C#N)(C#CCO)CO;LNMVCMZIDJBXGU-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77783;MM77783;C=CC(C=C)(CO)CNC;NVJKEBNBJQOIIT-UHFFFAOYSA-N;141.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77784;MM77784;COC(=N)N=C(N)C=O;NUBQYBZVJNPEAC-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77785;MM77785;C=CC(O)(C#CCO)CC;XFUHWOQAQKIGOR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77786;MM77786;C=NNC(=N)ON=C(C)C;CEXFNZWCLXEBEO-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77787;MM77787;C=CC(O)(C#CCC)CO;ROHYYOJDNGESKA-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77788;MM77788;C=CC(O)(C#CCF)CO;ZHVALMXCDXZZIZ-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77789;MM77789;CCC#CC(O)(C=O)CO;IEMHPQOSKGFPNP-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77790;MM77790;C=CC(O)(C#CCO)CF;IFMNLJLZKDFWGQ-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77791;MM77791;N#CC(O)(C#CCF)CF;IHABDWKXMHBASM-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77792;MM77792;O=CC(F)(C#CCO)CO;GHAAYGDSSSVVAL-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77793;MM77793;O=CC(F)(C#CCO)CF;QPURRXSEHPOYIC-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77794;MM77794;CNCC(CC=NN)OC;QMPQIXVPLNEMGP-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77795;MM77795;CC(CO)(CCN)CCF;UDUNGCRWBTXPSF-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77796;MM77796;CC(C)(CO)CCN;LVFSSKLFZHOPFX-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77797;MM77797;CNN=COCC(C)C;DELBCAQDWJQLOO-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77798;MM77798;COC(C)(C#CCO)C=O;WNYZBZPAIPADLW-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77799;MM77799;COC(C)(C#N)C#CCO;YCDYOPWHDGAEJJ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77800;MM77800;CCC(C)(C#N)C#CC#N;AOLGQUNMIVUMRK-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77801;MM77801;C=CC(C)(C#CC#N)CO;ATMKFDNMRLTWRL-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77802;MM77802;CC(C#CC=O)(C=O)CO;BJHMVUPNXCUTGV-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77803;MM77803;CC(C#N)(C#CC=O)CO;JEQWVCFJQYCHDE-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77804;MM77804;CC(C#CC#N)(C=O)CO;UWWYUQTVDYIHMQ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77805;MM77805;CC(C#N)(C#CC#N)CO;HHESTZSJYGZJQL-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77806;MM77806;CC(C#N)(C#CC#N)CF;QHDDEWDOWFYJON-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77807;MM77807;CN=C(C(=N)N)N(C)C=O;GKBYPXGBROMRFW-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77808;MM77808;CC(O)C(CF)CCN;AOCGFWSVSWBLCI-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77809;MM77809;CCC(O)(C#N)C#CC=O;ZIGYWICUFUEUHW-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77810;MM77810;CCC(O)(C#N)C#CC#N;MHYNLCVZBKBICY-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77811;MM77811;C=CC#CC(O)(C=C)CO;ZJBZTVNFQKHNHT-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77812;MM77812;C=CC#CC(O)(C=O)CO;GNEXHCABIQRSLX-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77813;MM77813;C=CC#CC(O)(C#N)CO;RPNLMZKNTKAUSG-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77814;MM77814;N#CC(O)(C#CC=O)CO;CJZQJNGMLHHWRL-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77815;MM77815;N#CC(O)(C#CC=O)CF;KLTZERLQBVYVII-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77816;MM77816;O=CC#CC(F)(C=O)CO;OJAJRDAZBXCGNZ-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77817;MM77817;N#CC(F)(C#CC=O)CO;GYKQZCVVIMWXIC-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77818;MM77818;N#CC#CC(F)(C=O)CO;HPFAADDTJSGKBW-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77819;MM77819;N#CC#CC(F)(C#N)CF;SNFPDQAEEXMRDL-UHFFFAOYSA-N;140.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77820;MM77820;CC=C(CN)C(=CF)CN;BTDMRZRVEWUDRF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77821;MM77821;C=CC(NC)C(N)CCC;FSYJXSZGNVEYCN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77822;MM77822;COC(C)(C#N)C#CC=O;XSERIQRKHSKFHH-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77823;MM77823;COC(C)(C#N)C#CC#N;GOMXAXOHXCYUTJ-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77824;MM77824;C#CC#CC(C)(C#N)CO;GQDUJGLBXAYXCX-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77825;MM77825;C=NN(CC)C(C)CCN;SFWYFXIEARQFMR-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77826;MM77826;C#CC#CC(O)(C#N)CC;HDYOCVJTWHRJFE-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77827;MM77827;C#CC#CC(O)(C=O)CO;KIQGXUVIDUOOBN-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77828;MM77828;C#CC#CC(O)(C#N)CO;JLZKZJVKGKVTOJ-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77829;MM77829;C#CC#CC(F)(C=O)CO;HVACEGOVNQTTKR-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77830;MM77830;C#CC#CC(F)(C#N)CO;NDMGIXWRPAXMQB-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77831;MM77831;COCC=NNCCC#N;LMTLZWWLJDLZOQ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77832;MM77832;CC(O)C(C=CF)CCN;HXDDYVHZFOIOHS-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77833;MM77833;C#CCCN;XSBPYGDBXQXSCU-UHFFFAOYSA-N;69.11;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77834;MM77834;C=CC(CCN)C(C)O;LCVLDGUMUYVIKD-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77835;MM77835;CC=CC(C)N;RJGNESAPBYJKKF-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77836;MM77836;CC=CC(CCN)C(C)O;YWVQFHGGUNWGSR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77837;MM77837;CC(C)C(CCN)C(C)O;DWLAZNXDTQBJOI-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77838;MM77838;COC=NNCC(C)C;TVQBTOMJTHUJAL-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77839;MM77839;CC(O)C(C)CCN;ZREPKBFAFRKRAG-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77840;MM77840;C#CC(O)(C#CCO)CC;IQWDZGPJYXQGSV-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77841;MM77841;C#CC(O)(C#CCC)CO;WYUBWSZTSANZGY-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77842;MM77842;C#CC(O)(C#CCF)CO;RRBOOWOQTQFZRA-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77843;MM77843;CC(F)C(CO)CCN;MRQSRQAWVSEOBP-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77844;MM77844;C=NOC(C=C(C)N)=NN;ZLSZVNYWEPDOTA-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77845;MM77845;C#CC(F)(C#CCO)CO;DXDYGRISNDFWTL-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77846;MM77846;CCOCC(CO)CCN;RMKQTCUVGMSHOS-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77847;MM77847;C#CC(C)(C#CC=O)CO;SWYKTYWXTVLGFE-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77848;MM77848;C=CC(C)NC;PMGNVDPARHYFIN-UHFFFAOYSA-N;85.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77849;MM77849;C#CC=CC(CO)CCN;RRSITIAIEYVMNO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77850;MM77850;C#CCC(CO)CCN;QHPNNUHVUISCGB-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77851;MM77851;C#CC(O)(C#CC=C)CO;KTEAUAHBCMKVQT-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77852;MM77852;C#CC(O)(C#CC=O)CO;PRXLGENXFCYMJF-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77853;MM77853;C#CC(O)(C#CC#N)CO;ZPFGUOPPLBLMJK-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77854;MM77854;C#CC(F)(C#CC=O)CO;UUITVDYEWUSYMG-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77855;MM77855;CC(N)C=CCF;DBOJMCZRWHMECR-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77856;MM77856;C#CC(C)(C#CC=O)OC;OXMQTWMLHRRGOB-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77857;MM77857;C=C(NC=N)OC;VKZDSXLCOLVXSG-UHFFFAOYSA-N;100.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77858;MM77858;C#CCC(=O)CC(C)NC;OEXMJVOZOUSOLH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77859;MM77859;C=CCC(CO)CCN;CLDQSVAXWZHANN-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77860;MM77860;C#CC#CC(O)(C#C)CO;IHQRRMKAGFTOQP-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15340;MM15340;C#CC#CC(F)(C#C)CO;DGVVEQDFQZXHGH-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77861;MM77861;CC(C#CCO)(C=O)C=O;AWQOUCVDOBWIGW-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77862;MM77862;CC(C#N)(C#N)C#CCO;YWGZOPBZEPPWNE-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77863;MM77863;CC(C#N)(C#N)C#CCF;NYJBZPQMDPYHDE-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77864;MM77864;CC#CC(C)CN;VKVQIGSRXIBXMQ-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77865;MM77865;C=CC(O)(C#CCO)C=C;GSHNSFZEZAXNTM-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77866;MM77866;C=CC(O)(C#N)C#CCO;XEIZPJMVNWTVOE-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77867;MM77867;O=CC(O)(C#CCO)C=O;AUKDCQZSUNPURL-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77868;MM77868;N#CC(O)(C#CCO)C=O;BQLLJJOCAWAAAS-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77869;MM77869;O=CC(O)(C#CCF)C=O;DPVXDWNJWNGHFB-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77870;MM77870;O=CC(F)(C#CCO)C=O;LZKWRWBZLFLAJX-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77871;MM77871;N#CC(F)(C#N)C#CCO;LHPWZHJEZWYHDW-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77872;MM77872;CC(C#N)(C#CC#N)C=O;PGZITDYXFQNZRL-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77873;MM77873;CC(C#N)(C#N)C#CC#N;FAGJTHDMLZFAEF-UHFFFAOYSA-N;129.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77874;MM77874;CC(C#N)(C#N)C#CC=O;NZDFIFBMHAFMDS-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77875;MM77875;C=CC(O)(C#CC=O)C=O;RETGNCIWOOQXOV-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77876;MM77876;C=CC(O)(C#N)C#CC=O;RITDKIXDARGMEI-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77877;MM77877;C=CC(O)(C#CC#N)C=O;VLXUXTKRSPWTPB-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77878;MM77878;C=CC#CC(O)(C=O)C=O;JUNGDQJZHBGACO-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77879;MM77879;C=CC#CC(O)(C#N)C=O;BSCICOWXYQZWDN-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77880;MM77880;O=CC#CC(O)(C=O)C=O;ZRPWLWKBWXKYTM-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77881;MM77881;N#CC(O)(C#CC=O)C=O;QEQRAERFEUAIGT-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77882;MM77882;N#CC#CC(O)(C=O)C=O;RBQAXYPWKKOLMB-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77883;MM77883;N#CC#CC(O)(C#N)C=O;RAHFLCMBEWLCAS-UHFFFAOYSA-N;134.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77884;MM77884;C#CC#CC(C)(C#N)C#N;JGLYFZXFKJZZMM-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77885;MM77885;C#CC#CC(O)(C=O)C=O;PTVFXOFJRATWNS-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77886;MM77886;C#CC#CC(O)(C#N)C=O;XSCCLLUCNWNXGW-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77887;MM77887;C#CC(C)(C#CCO)C=O;USLRVNPVITUDAJ-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77888;MM77888;C#CC(C)(C#N)C#CCO;QHYBUQPJSZJGNJ-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77889;MM77889;CC(C)C(CO)CCN;RCDDMGWMBXIOIW-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77890;MM77890;C#CC(O)(C#CCO)C=O;YFAWMBWPBCGNEZ-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77891;MM77891;C#CC(O)(C#N)C#CCO;YTGSPIYCPLPXIF-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77892;MM77892;C#CC(O)(C#CCF)C=O;OHQIDKUYRZIXKJ-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77893;MM77893;C#CC(O)(C#N)C#CCF;JNPFPVGEKSZCFW-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77894;MM77894;C#CC(F)(C#N)C#CCO;UTTBLNIJIXQVRQ-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77895;MM77895;C#CC(C)(C#CC=O)C=O;MQRPCCQDRYKOAO-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77896;MM77896;C#CC(O)(C#CC=C)C=O;PASPDSCXFGMQST-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77897;MM77897;C#CC(O)(C#N)C#CC=C;JJRJXCHPZKDNMS-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77898;MM77898;C#CC(O)(C#CC=O)C=O;OSBDCPBEYXOUMP-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77899;MM77899;C#CC(O)(C#N)C#CC=O;YOKVGLOYMJDQMD-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77900;MM77900;C#CC(O)(C#CC#N)C=O;VNQPWCCLUAHPDR-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77901;MM77901;C#CC#CC(O)(C#C)C=O;GQYLABBSFCXQMH-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77902;MM77902;C#CC#CC(O)(C#C)C#N;JOBLXLBNZBYCRC-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77903;MM77903;C=NOC(C=CNC)=NN;AQYASVDXLQZHMP-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77904;MM77904;C#CC(O)(C#C)C#CCO;ADAGVBCQOYRXLA-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77905;MM77905;C#CC(O)(C#C)C#CC=O;YEDINUKAQSXYJH-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77906;MM77906;C#CC(O)(C#C)C#CC#N;NNBQNBJWDBKHDQ-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77907;MM77907;NCC1(CN)CC1;PHRUVWQLCGKEKY-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77908;MM77908;C=NNCCCN;FBSOVQBOKGULCQ-UHFFFAOYSA-N;101.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77909;MM77909;CNC(C)(C)COC;PEZCONMNKQLFHS-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77910;MM77910;CC(N)C=CC(C)F;FFDJDBXQFLSRRR-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77911;MM77911;CC(N)C=CC(F)F;AFIPYSQKADGISX-UHFFFAOYSA-N;121.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77912;MM77912;C#CCONC(C)=N;XRZRJTVCZVQRDZ-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77913;MM77913;COCC=CC(C)N;LXTALOKTEPZVOQ-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77914;MM77914;CCC(CO)(CO)COC;NSNOJFKJIAUDLP-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77915;MM77915;CC#CC(N)CCN;OYNHTCXCTJJVKQ-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77916;MM77916;C=CC(C)(CC)CN;CIADDZRQLZENRR-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77917;MM77917;C#CC(C)(C=C)CN;ARLUSHXSHMQDTF-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77918;MM77918;CCC(C)C(N)CN;RZPLEXWIJYXQKX-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77919;MM77919;C=CCC(C=C)NC;FTYHOYDBAABPHS-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77920;MM77920;C#CC(CN)CC=C;XZSVZYPIWUZLIS-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77921;MM77921;CC#CC(CC)CN;WUTSSDKBNMDRHI-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77922;MM77922;CCNCCO;MIJDSYMOBYNHOT-UHFFFAOYSA-N;89.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77923;MM77923;CNC(C)CC(=O)CF;MRZRKNWSPMUNIE-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77924;MM77924;CNC(CCO)CCF;YCICBCJSUVMONU-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77925;MM77925;C#CC(CN)C(C)C;YKVWAKRADDKQQR-UHFFFAOYSA-N;111.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77926;MM77926;NN=CC(F)C=NN;JUYNXWNVOTXSIX-UHFFFAOYSA-N;118.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77927;MM77927;CCC(CO)(CO)CC#N;BFKMEYAEKOTFGN-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77928;MM77928;N#CCC(CO)(CO)CO;JFEZYEDPIUIPIJ-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77929;MM77929;CC=NNCCCN;UAYXGBQGCFSTAY-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77930;MM77930;C=NNCC#N;XCXOGRCXQRHONU-UHFFFAOYSA-N;83.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77931;MM77931;C=CC(=CC=O)NC=NO;BMZLAPYUYYUMJD-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77932;MM77932;CCC(CO)(CC#N)OC;MTYMAEVDOXJZEL-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77933;MM77933;COC(CO)(CO)CC#N;HDVBVHUMOVFQHJ-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77934;MM77934;CC(CN)(CN)CCF;QMVLAJAJJNQMNE-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77935;MM77935;CC#CC(O)C(=O)N(C)N;PHEMRUCLDYJRDJ-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77936;MM77936;CC=NN(C(=N)N)C(=N)N;KAODNKFIFUXZFK-UHFFFAOYSA-N;142.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77937;MM77937;C=CC(N)C(C)C=CCO;RIKWKOVCJIGRPH-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77938;MM77938;C=COC(CC)(CO)CO;OFEOHVRMXVFHJL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77939;MM77939;C=CCC(C)(CN)CN;YKVIUEGKYGGZLX-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77940;MM77940;C=CC(C)(CN)CCF;QYHSOKSGSMILNS-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77941;MM77941;CC(C)C(C)(CN)CN;PYPLCQDGTFXXMG-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77942;MM77942;CCCC(C#N)(CO)CO;INYIXKXSHRLGER-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77943;MM77943;C=C(C)C(N)CC=CCO;LSWUDDUESSJXEL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77944;MM77944;CC(F)C=CN(N)C=N;XCUQBVXVOAFGHC-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77945;MM77945;C#CC(F)C#CC(=N)N;HPANWAATCSWGGN-UHFFFAOYSA-N;124.12;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77946;MM77946;C=CC(=C)C#CC(=N)N;YVKYZUJYNCXHGP-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77947;MM77947;COCC(C#N)(CO)CO;TWNKCQWYOMEHPT-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77948;MM77948;CC(N)C=CCCCF;VIHILFGLRVMBKT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77949;MM77949;C=NNCC=CC(C)N;NOROHSKLXSWYQO-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77950;MM77950;C=NOCC=CC(C)N;PDKAEFGHVPBDOK-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77951;MM77951;CCC(C)(CNC=O)NC;SXKBHLNPRJCFSW-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77952;MM77952;CC=NN(C)CCCN;CYEPBQXZAULWEI-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77953;MM77953;COCC(=N)NCC=O;XNYCBMOKWBHOEB-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77954;MM77954;CCC(C=O)(CCO)OC;ALNWTEIFLZMEEW-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77955;MM77955;CCCC(C#N)(CO)OC;HYPNLKXZZPWFNP-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77956;MM77956;CNCCC(F)=CC=O;OXPSCQFZHAKODW-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77957;MM77957;CC(C)C(C)C(N)CN;DRNFJFMSTVSGRE-UHFFFAOYSA-N;130.24;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77958;MM77958;C=CC(CO)(COC)OC;NFUGRWQIOPTCIJ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77959;MM77959;COCC(C#N)(CO)OC;HLGFQUWZQBRSFW-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77960;MM77960;COC=CC(N)C(C)C;ITSDBBJEZJWWHP-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77961;MM77961;C=CCNCC(N)CC;LAHGWBIUJRONNU-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77962;MM77962;C#CC(O)C(=O)N(C)N;XNEMAFHMSIARKV-UHFFFAOYSA-N;128.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77963;MM77963;C=CC(CCN)CC(N)=O;FENFAKVYQXTKQK-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77964;MM77964;CNCCCC(=O)OC;NCHRVWIOGHJADK-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77965;MM77965;CN=CN(O)C(C#N)C#N;QUCPEAKWLFCBCB-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77966;MM77966;C=CC(CO)(CO)OCC;MAACTMRZZAFMLC-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77967;MM77967;CCOC(C#N)(CO)CO;CIHYGCXOAVLLLY-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77968;MM77968;CCOC(C#N)(CO)OC;JVKMTUZMACTRSY-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77969;MM77969;CCC(C#N)(CO)CC#N;PODOVVHTFAEEOW-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77970;MM77970;CCC(C#N)(CF)CC#N;WUCSXMZVWOHGBA-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77971;MM77971;CC(CCF)C(N)CN;VVQHBEOKUQWUJA-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77972;MM77972;C=CC(CO)(CO)CC#N;HGALWJFXHODCFZ-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77973;MM77973;C=CCC(C#N)(CO)CO;ZAVZRVWUTCHTKH-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77974;MM77974;N#CCC(C#N)(CO)CO;NGMWHZSFCJWHGN-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77975;MM77975;N#CCC(C#N)(CF)CF;VGYUOLQVAZIAIA-UHFFFAOYSA-N;144.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77976;MM77976;CNN=CNN=CC#N;FUCCJVRQCNRZCB-UHFFFAOYSA-N;125.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77977;MM77977;CC(CC#N)CNNC=O;NWKDIPPVNNSPRA-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77978;MM77978;C=CCC(C)C(N)CN;UGMRANOYYKWWDK-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77979;MM77979;C=CC(CO)(CC#N)OC;UPQOQXFKPVOMKJ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77980;MM77980;C=CCC(C#N)(CO)OC;VDLRHXVCINBVFJ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77981;MM77981;COC(C#N)(CO)CC=O;ULYZCMGRYFNTBY-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77982;MM77982;C=CC(C)C(=C)CNC;JOGZPCJPDIOWED-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77983;MM77983;CCC(C#N)(CF)NC=O;CLYMLRNUGMIHIQ-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77984;MM77984;N#CC(CO)(CO)NC=O;PDSLCXDDEOIJBT-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77985;MM77985;CCC(C(N)=O)C(C)NC;AVCRBGXKOJBYSC-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77986;MM77986;CN(N)C(=O)NN;RNPNUQAIHFZXIU-UHFFFAOYSA-N;104.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77987;MM77987;C=COC(C#N)(CC)CO;OPWJQRJLGWOVTF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77988;MM77988;C=COC(C=O)(CO)CO;VZGLHKRFMOSDPW-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77989;MM77989;C=COC(C#N)(CO)CO;AILWZICFUBFRDW-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77990;MM77990;C=C(NC=N)C(C)=NN;YTXUELWUDPHBCT-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77991;MM77991;CCC(CC)(CN)CN;SDIOBNKHLKIWOP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77992;MM77992;C#CC(O)CON=C(C)C;VVMZKFTWRRLORM-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77993;MM77993;C#CC(CC)(CN)CN;QYDSIGOCNSDYHW-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77994;MM77994;C=NOC(C#N)C(C)(C)O;VYSYKLAFTRKJMQ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77995;MM77995;C#CCC(C#N)(CO)OC;AXAOPFGZBYSDQF-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15898;MM15898;C#CCC(C=O)(OC)OC;KYTHOGLMDATQSG-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15894;MM15894;C#CCC(C#N)(OC)OC;SOUASLSFJXAKET-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77996;MM77996;C=CC(NC)C(N)CC;KNOFRDCGBGPSSL-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77997;MM77997;C#CC(CN)C(C)CF;KIUQGHIWTBLZEC-UHFFFAOYSA-N;129.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77998;MM77998;C=NN(CC)CCCN;PNAGCWWNUTUFAL-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM77999;MM77999;C#CC(CO)(CF)COC;KXRPDHPWIJLVAI-UHFFFAOYSA-N;146.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78000;MM78000;C=CC=CN(C=N)NC;ZLTBUFFNMAHKJP-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78001;MM78001;C=C(C)CNC(C)(C)CN;NHQQZUHYTDBINC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78002;MM78002;CNC(C)CC(=O)C(C)F;QDBQLWRIDAXIDW-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78003;MM78003;CC(F)CC(C)(CN)CN;CPPWAVYDLKZBLY-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78004;MM78004;C=C(C)CC(C)(CN)CN;AIIDJZDKEAUQBG-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78005;MM78005;CC(F)(F)CNCCCN;MIALTIDJJKBDKF-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78006;MM78006;CCCC(C)(N)C(N)CF;RLYUCPUVQSAILQ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78007;MM78007;C#CC(CO)(COC)OC;PLEBNNCCJGXMMG-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78008;MM78008;C#CC(CCO)(OC)OC;RSNAZRLWFKKZTJ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78009;MM78009;C#CC(COC)(OC)OC;SCKJOIBIIFSPEM-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78010;MM78010;CCNC(C)(C)C(=N)NN;IXMNOMTYDKXCLA-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78011;MM78011;CCCC(CC(N)=O)NC;YGQWCFURIUYSKP-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78012;MM78012;C#CC(CO)(CO)OCC;FEAYKIFPVJSREU-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78013;MM78013;C#CC(CO)(CF)OCC;SWTIDVMDSVCRGI-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78014;MM78014;CC#CC(C)(N)C(=N)NC;PEAIUJVXBSOCLP-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78015;MM78015;C#CC(CO)(CO)CC=C;SQCSTGHWVHVWJV-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78016;MM78016;CC(C#CCN)=CC(C)N;PGRJWOOZGIAOSZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78017;MM78017;C=NNC(C#N)(CO)CO;YLCMONRXQZTOQH-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78018;MM78018;CC(C)(CCN)CC(N)=O;QNQNQTPJIVAECC-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78019;MM78019;CNC(C)(C)COCC#N;FCCPFNMDICDZSQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78020;MM78020;C#CC(CO)(CC#N)OC;SBCRXYDUBBYEIJ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15895;MM15895;C#CC(CC=O)(OC)OC;UIHLGVVTGZGGPZ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78021;MM78021;C#CC(CC#N)(OC)OC;NDJIGHUWCHPKCG-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78022;MM78022;C=CC(C)(N)C#CCCN;JEDPKJVTEAGOSU-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78023;MM78023;CCC(C#N)=C(N)NC=O;JSIQCNCIZMSIPU-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78024;MM78024;CCNCCC=O;WMIBZKNFYVSASG-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78025;MM78025;C#CC(CO)(CO)OC=C;INSIUWHADBRNPQ-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78026;MM78026;C#CC(CO)(CF)OC=C;XHCHYTKXUZPMRJ-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78027;MM78027;C#CC(CO)(OC)OC=C;FXVYVDXCUVUDJF-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78028;MM78028;CC(C)C(=N)NOCC=O;CQKOFLPIOMRQRV-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78029;MM78029;CCNC(=NNC=N)NN;KBLDCIAOEQIPHZ-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78030;MM78030;CCC(=O)CN=CN(C)C;AHDVEFZSAOIBBT-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78031;MM78031;C#CCC(C#C)(CO)OC;AWJHNPJCJQKRSS-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
3,3-dimethoxyhexa-1,5-diyne;MM02691;C#CCC(C#C)(OC)OC;NHJJYMVKOFYIOZ-UHFFFAOYSA-N;138.17;0.63;118607746;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78032;MM78032;C=CC(C#N)(CO)CCO;NLXJOOXXJRMYQH-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78033;MM78033;CCCC(C#N)(C=O)CO;CNGWOFYEGUTUHT-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78034;MM78034;CCCC(C#N)(C#N)CO;XMCTWWGRTXLNKM-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78035;MM78035;N#CC(C#N)(CO)CCF;OVJRAMWXAFZUCL-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78036;MM78036;C#CC(C)(CCN)N(C)C;QYNIAHCZEHNQAC-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78037;MM78037;CC(C)(N)C=NNC(=N)N;YZEYJBJPVOJPEP-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78038;MM78038;COCC(C#N)(C=O)CO;BCZVPYAYQVWKRG-UHFFFAOYSA-N;143.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78039;MM78039;COCC(C#N)(C#N)CO;JZIOIQHZXAZINX-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78040;MM78040;C=C(CNC)CNC(C)C;HFPOZCIHZOCAGU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78041;MM78041;CC(C#CCN(C)C)CN;HTSMFAOBSYARNL-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78042;MM78042;CC(N)C=CC=C(F)CN;XTDIVQQDIUTSSE-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78043;MM78043;C=C(C)CC(C)C(N)CN;RBLNOHMDUDHMDG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78044;MM78044;C=CC(C#N)(CCO)OC;JLADCWHAYFRFSA-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78045;MM78045;COC(C#N)(C#N)CCO;SDXGKDGODYTWRE-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78046;MM78046;COC(C#N)(C=O)CCF;UQQSYKVZNQKSDN-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78047;MM78047;C#CC(NC(C)=N)C(=N)N;AIGYVXLUXMTOPY-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78048;MM78048;C=CC(C=O)(COC)OC;CHICUQRENPIMSF-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78049;MM78049;C=CC(C#N)(COC)OC;NBEABRZMDPXZAX-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78050;MM78050;COCC(C#N)(C=O)OC;UBTXQRXJLIESCJ-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78051;MM78051;COCC(C#N)(C#N)OC;RXMLZLIIUXLUKJ-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78052;MM78052;CC(=N)NOCC#CC#N;JQQSMFBRJVYNKJ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78053;MM78053;C=CC(C#N)(CO)OCC;HTFBWPUFCQGUJK-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78054;MM78054;CCOC(C#N)(C=O)CO;PFDYSLKHWPJJPH-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78055;MM78055;CCOC(C#N)(C#N)CO;KSKSZOINYADSJI-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78056;MM78056;CCOC(C#N)(C=O)OC;YRZCMKOZKBIMJY-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78057;MM78057;CCOC(C#N)(C#N)OC;GJXOODHMRCAJSM-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78058;MM78058;CCC(C#N)(C#N)CC#N;IVQFPFCAVQXKAS-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78059;MM78059;C=CCC(C#N)(C#N)CO;SZMRUVKSFGWNRL-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78060;MM78060;N#CCC(C=O)(C=O)CO;IOFYXJBKCNABBA-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78061;MM78061;N#CCC(C#N)(C=O)CO;REDKMLSCKGIRDK-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78062;MM78062;N#CCC(C#N)(C#N)CO;SOOXGQYNNGIJQQ-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78063;MM78063;N#CCC(C#N)(C=O)CF;USPDVDOEMLMNLY-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78064;MM78064;C=C(C)C=NNC(=N)NC;NWGGWQVLCMWSDV-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78065;MM78065;COCCCC(=N)NOC;HQGYHJYZVGGCCW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78066;MM78066;C=NOC(=O)CCCNC;CEPWBDMOTBXUJX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78067;MM78067;C=CC(C=O)(CC#N)OC;IQCWZGJNVFELMC-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78068;MM78068;C=CCC(C=O)(C=O)OC;HLASDVJQOQZXDK-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78069;MM78069;COC(C=O)(C=O)CC#N;MEEAQUJNIIPUKE-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78070;MM78070;COC(C#N)(C=O)CC=O;HGWJVNQJZAFYDT-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78071;MM78071;COC(C#N)(C=O)CC#N;HAHUVOQLPAGREV-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78072;MM78072;COC(C#N)(C#N)CC=O;CJVDIGXBTFJWPD-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78073;MM78073;COC(C#N)(C#N)CC#N;YREPEMKDDXHZJW-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78074;MM78074;CCC(C#N)(C#N)NC=O;BJKCZVLEGWHPII-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78075;MM78075;C=CCC=NNC(=N)N;NQIKPIDFGRFULU-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78076;MM78076;N#CC(C#N)(CO)NC=O;MCLYXXYCOGVGPF-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78077;MM78077;C#CCC#CC(N)CCN;OCBMDHNCULTMKF-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78078;MM78078;CCN(N)C(=NN)NN;GGYUVLZBNYJWPF-UHFFFAOYSA-N;132.17;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78079;MM78079;CCNN=C(NN)NN;RUFSWVUJMAVGCA-UHFFFAOYSA-N;132.17;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78080;MM78080;CNC(C)CC(=O)COC;NMQSEJHRKCPUBL-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78081;MM78081;NCC=CC(=NO)OC=O;PBNIXHQUQXWNEM-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78082;MM78082;C=COC(C=C)(C=O)CO;FNYQKHHWTXVRKH-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78083;MM78083;C=COC(C#N)(C=C)CO;QHGMDEYBWOHPSE-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78084;MM78084;C=COC(C#N)(C#N)CO;OWIKNTXEZVPHQC-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78085;MM78085;C=NOC(C#N)(C#N)CO;ZXAMNGREYWJSHK-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78086;MM78086;C=COC(C#N)(C=O)OC;XGCSXRYYVQSHAK-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78087;MM78087;C=COC(C#N)(C#N)OC;UFWQWWVTAWZXGL-UHFFFAOYSA-N;138.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78088;MM78088;CC(CCN)N(C)CCF;GHUKEFFLQGTKEO-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78089;MM78089;C#CCC(C#N)(C#N)CO;JJUOTOUHTOYDHS-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78090;MM78090;C#CCC(C=O)(C=O)CF;YJZMZAVUMKVDJX-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78091;MM78091;C=C(CNC)C(C)NCC;JYWZCTBJHIVIGW-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78092;MM78092;NN=CCC#CC(F)CO;OKHWQMYWJUFYFY-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78093;MM78093;C#CCC(N)C(N)C(C)C;JFHOVDOXKYHKQG-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78094;MM78094;C#CC(C#N)(CO)CCF;IGQFTPSWLFVEOA-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78095;MM78095;C#CC(C#N)(CF)CCO;DOQWNLMHHYFBRJ-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78096;MM78096;C=C(CNC)C(N)C(C)C;WSAOZJAZYLLCHR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78097;MM78097;C#CC(C=C)(CO)COC;CGPBNKPXXKNMRR-UHFFFAOYSA-N;140.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78098;MM78098;C#CC(C#N)(CO)COC;VXNJNTVDDGKIMO-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78099;MM78099;CCC(F)(C=NN)CO;KACCBQBBVUDZGQ-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78100;MM78100;CNCC(=CCN)C(C)F;FHWKQALYHIBPFJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78101;MM78101;CCC(C)C(C)(CN)CN;WOQYTFOLASVXMD-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78102;MM78102;C#CC(C#N)(CCO)OC;YXNMJCRWQFGNKJ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78103;MM78103;C#CC(C=O)(CCF)OC;TVQYQCUQTNLXOB-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78104;MM78104;CC(CN)(CN)CC=CF;IOYSGMZFBMXEQY-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78105;MM78105;C#CC(C=O)(COC)OC;GNDIGQORVIDFEJ-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78106;MM78106;C#CC(C#N)(COC)OC;UXYVWIBVIZMHIY-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78107;MM78107;CCCC(CC)(CN)CN;QHZTXCGUDBFGJH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78108;MM78108;C=CC(N)CC(=NO)OC;MJALESWEFBPMFH-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78109;MM78109;C#CC(C#N)(CO)OCC;LDFFXANBNPGKHM-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78110;MM78110;C#CC(C=O)(OC)OCC;PGYGNRURQGVBGK-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78111;MM78111;C#CC(C#N)(OC)OCC;SIVHBBTUHRCRPV-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78112;MM78112;C#CC(C=C)(CO)CC#N;BJPVJWHNPHOXOS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78113;MM78113;C#CC(C#N)(CO)CC#N;BDSRJYRPAMGVDQ-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15740;MM15740;C#CC(C=O)(CF)CC=O;IZGCYDVVZYFJFY-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78114;MM78114;C#CC(C#N)(CF)CC#N;FSJNDAJGSZHHQL-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78115;MM78115;CC(CC(CN)CF)=NO;DGBCVMODKLXNQA-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78116;MM78116;CC(C#CC(C)CF)CN;VWYOBPQMLROZAL-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78117;MM78117;C=CC(N)CC(C=C)NC;MEXGTPALLDVKHP-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78118;MM78118;C#CC(C=O)(CC#N)OC;MEOTWAYOTSCJIA-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78119;MM78119;C#CC(C#N)(CC#N)OC;NOTDZWDCXBBAJN-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78120;MM78120;COC(C=CC(C)N)CF;NQZQIDXZUFGVFM-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78121;MM78121;C#CC(C=O)(CC)NC=O;FTBSSJICDMUTRB-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78122;MM78122;C#CC(C#N)(CC)NC=O;ULFKLLPRUWSCGA-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78123;MM78123;C#CC(C#N)(CO)NC=O;KCHZQWPQSLWHPY-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78124;MM78124;COC(C=CC(C)N)OC;RKSQKDDQQGUBHH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78125;MM78125;C#CC(O)C#CCCNC;BAASAWBZZPKZQY-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78126;MM78126;C=NNC(=O)CCCCN;WGEAOGZQLXYTQA-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78127;MM78127;CNCCN(C)C=CC=O;PUSJUDKHXMWPNI-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78128;MM78128;C#CC(C=C)(CO)OC=C;ZQJMLOGYBZVONB-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78129;MM78129;C#CC(C=C)(CO)OC=O;AZAKTBRENLCKBF-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78130;MM78130;C#CC(C=O)(CO)OC=C;NAWSHXXCRWWMOQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78131;MM78131;C#CC(C#N)(CO)OC=O;MTSHEOVHQDRXEA-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78132;MM78132;C#CC=NNCC(O)CO;UFKHGTKECHOQML-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78133;MM78133;C#CC(C=O)(OC)OC=C;BEULOFBIIRSSBD-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78134;MM78134;C#CC(C#N)(OC)OC=C;ZLHGGGCXHKTHFR-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78135;MM78135;C#CC(C#N)(OC)OC=O;BQYGGAQWKQZXCE-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78136;MM78136;C=CC=NN(C)CCCN;YVCDQDUZUOFIEL-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78137;MM78137;C#CC=NN(C)CCCN;LNDXCESMNPIULS-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78138;MM78138;C#CCC(C#C)(C=O)CO;ANUUJBKRVNYWGW-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78139;MM78139;C#CCC(C#C)(C#N)CO;WAKQVMFZLBFYLS-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78140;MM78140;CCC#CC(O)C(=N)NC;LRCSSUHWZUZBIU-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78141;MM78141;CNCC(C)C(C)(O)C=O;HWIMLRMSGWHTTP-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78142;MM78142;C=CCCC(C)C(N)CN;GNVZMVNKDCISHQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78143;MM78143;CC=NN(C)C=NC(N)=O;FWBBTSVWMUMFAX-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78144;MM78144;C#CC(C#C)(CO)CCO;BHUWNHPCHZJCPA-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78145;MM78145;C#CC(C#C)(CO)COC;MXVLJYXVKVROHL-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78146;MM78146;C#CCCC(C)C(N)CN;URNCOESRXBQDHP-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78147;MM78147;C=CC(N)C(C)COC=O;CNKJPKAZMQQYQF-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78148;MM78148;C#CC(C#C)(CCO)OC;PYOVKYSMRHREQX-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78149;MM78149;CCCNC(C)C(=N)NN;JNHZJGWPGGFRAJ-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78150;MM78150;C#CC(C#C)(COC)OC;PCVUITRFITWZFM-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78151;MM78151;CCN(C)N=CC#CCO;QQGACEOPYOSLNX-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78152;MM78152;C#CCOC(C)C(=N)NN;GDZKTKGPAVXNIJ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78153;MM78153;C#CC(C#C)(CO)OCC;ZPWRPACMNRGWNT-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78154;MM78154;C#CC(C#C)(OC)OCC;NDFHPVCMFVAHGX-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78155;MM78155;C#CC(C#C)(CO)CC=O;QEKKFTWWQSLDHH-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78156;MM78156;C#CC(C#C)(CO)CC#N;XOHIYAPINWLASB-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78157;MM78157;CC(CC=CF)C(N)CN;UPSUODMPUCJSSU-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78158;MM78158;C#CC(C#C)(CC#N)OC;VQGNKQMASLTVHP-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78159;MM78159;CCC#CC(N)C(=N)NC;QKZKZWRTCVGDLQ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78160;MM78160;C#CC(C#C)(CF)NC=O;JTBKJZPIBJDJPU-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78161;MM78161;C#CCNN=C(C)C(C)O;FGRILWVBOSELBQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78162;MM78162;C=CC(N)C(C)=CCNC;WVMPSKMVKZOBBG-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78163;MM78163;C#CC(C#C)(CO)OC=C;BYABTUFJSGRERI-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78164;MM78164;C#CC(C#C)(CO)OC=O;KXLLJMVRHQQCFF-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78165;MM78165;CCC(N)CNCCOC;NCJCJQVRCBKWPP-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78166;MM78166;C=C(F)C(C)(O)CCCN;HBJXWDZDAIAGRD-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78167;MM78167;C#CC(C#C)(OC)OC=C;CJGRAJCTNVXVKK-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78168;MM78168;C#CC(C#C)(OC)OC=O;JUUVNQIEYQRWJQ-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78169;MM78169;CC=CCNCC(=N)NN;CGOGRUQKDUABSJ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78170;MM78170;C=CC(C#N)(C#N)CCO;APVJXAVLHZVIGQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78171;MM78171;O=CC(C=O)(C=O)CCO;SIAHGOSAHPFEET-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78172;MM78172;N#CC(C#N)(C#N)CCO;OUZHQFWWUOZDFG-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78173;MM78173;N#CC(C#N)(C#N)CCF;BKQSOYVTGKJUEX-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78174;MM78174;C=CCC(NC)C(N)CF;YCTSIYGTLHZCHV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78175;MM78175;C#CCC(CN)C(N)C#C;HAIYMWVNMDJLIN-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78176;MM78176;C=CC(C=O)(C=O)COC;QKQIWVUCQNIOQI-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78177;MM78177;C=CC(C#N)(C#N)COC;TYSRMACXDTUSER-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78178;MM78178;COCC(C#N)(C=O)C=O;GDSASKKDJGYTRU-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78179;MM78179;COCC(C#N)(C#N)C=O;AEMATSBRZZZELP-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78180;MM78180;COCC(C#N)(C#N)C#N;XNWIEIBTRTYDDG-UHFFFAOYSA-N;135.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78181;MM78181;C#CC(CCN)N(C)CC;ZSEYMJGLXSYZCT-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78182;MM78182;CCOC(C#N)(C=O)C=O;PTPKHNJMZYTSCL-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78183;MM78183;CCOC(C#N)(C#N)C=O;UXFGOHXMYPCDAQ-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78184;MM78184;CCOC(C#N)(C#N)C#N;NTJPGUFMVZBZIG-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15756;MM15756;C=CC(C=O)(C=O)CC=O;FQDSWZXPVDMWNW-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78185;MM78185;C=CC(C#N)(C=O)CC#N;SRCQVSBJRMLUMT-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78186;MM78186;C=CCC(C#N)(C=O)C=O;JQZPPOPRMRMLKQ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78187;MM78187;N#CCC(C=O)(C=O)C=O;SOYJSNCZHUPVIR-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78188;MM78188;N#CCC(C#N)(C=O)C=O;HKWOWDKFLCCOII-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78189;MM78189;N#CCC(C#N)(C#N)C=O;KIQWBRBZUOMKLQ-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78190;MM78190;N#CCC(C#N)(C#N)C#N;SCIYPPJMKCXIGM-UHFFFAOYSA-N;130.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78191;MM78191;C#CC(OCC)C(=N)NC;OIOJFYOQRMCSHM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78192;MM78192;C=NN(C)C=C(C#N)CO;QCWXTZKNGBFERQ-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78193;MM78193;C=CC(C#N)(C#N)NC=O;OUWDSEMNCLPBLX-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78194;MM78194;C#CC(=C)CC(CO)=NN;JOIKHYBHRBVPRJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78195;MM78195;C#CC#CC(O)CCCN;RMMRYJZGRYTUBF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78196;MM78196;N#CC(C=O)(C=O)NC=O;KDPBHWYHUIGHIG-UHFFFAOYSA-N;140.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78197;MM78197;N#CC(C#N)(C=O)NC=O;UELQMUKHNBVMNV-UHFFFAOYSA-N;137.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78198;MM78198;N#CC(C#N)(C#N)NC=O;RVDKXSFCKRHBOI-UHFFFAOYSA-N;134.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78199;MM78199;C=CC(O)(CNC)C(=C)C;ZIRYBQKADXJUCT-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78200;MM78200;CCNC(C)CC(O)C=O;DPWLKLNHDURVRS-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78201;MM78201;CC=NOC(CO)CF;UKVMGQVILXZNDS-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78202;MM78202;C=COC(C=O)(C=O)C=O;ZIDBORVGFIMJQQ-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78203;MM78203;N#CC(C#N)(C=O)OC=O;QLYZSQCBMUIRLM-UHFFFAOYSA-N;138.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78204;MM78204;N#CC(C#N)(C#N)OC=O;OKKNZUFLOUJTCP-UHFFFAOYSA-N;135.08;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78205;MM78205;CC=CC(NC)C(N)CC;MPQCCLFJPSMZGA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78206;MM78206;C#CCC(C#CCN)CN;MWYUBZVFRNTZLH-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78207;MM78207;CCC(=CC=NN)CNC;GOSBAWYRDUYBNF-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78208;MM78208;C#CCC(C=O)(C=O)C=O;HZOGCJPRIMFGGF-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78209;MM78209;C#CCC(C#N)(C=O)C=O;VRGWSJMUGOCSCK-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78210;MM78210;C#CCC(C#N)(C#N)C#N;OPGLJGOPQINMPV-UHFFFAOYSA-N;129.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78211;MM78211;C#CC(C#N)(C#N)CCO;JVMAUVGVWPCGQV-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78212;MM78212;C#CC(C=O)(C=O)CCF;XATFLTDZTSQTMT-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78213;MM78213;C#CC(C#N)(C=O)COC;RBXILGGXKIMUFN-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78214;MM78214;C=C(C)N(C=N)N(C)CC;MIDKBDWGCMFZBG-UHFFFAOYSA-N;141.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78215;MM78215;C#CC(F)=C(OC)C(=N)N;UIEFVSIALRWSEJ-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78216;MM78216;C#CC(C=O)(C=O)OCC;IIJFBNYAWDYQRR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78217;MM78217;C#CC(C#N)(C=O)OCC;YGVQASQQWGJRPT-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15744;MM15744;C#CC(C=O)(C=O)CC=O;YMWVJALTKHULRK-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78218;MM78218;C#CC(C=O)(C=O)CC#N;DBJXRTKQIDUWBV-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15727;MM15727;C#CC(C#N)(C=O)CC=O;CYYROFJFONEIJY-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78219;MM78219;C#CC(C#N)(C=O)CC#N;QLUUNYDORLEQTI-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15717;MM15717;C#CC(C#N)(C#N)CC=O;KDRBDIYGNHQWIY-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78220;MM78220;C#CC(C#N)(C#N)CC#N;OIWRKFFCNWPGMV-UHFFFAOYSA-N;129.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78221;MM78221;C=CC(NCCN)C(C)C;WRZHKFHRPRRVSR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78222;MM78222;C#CCNN=C(CC)CO;GNKLJLMQRXRMLF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78223;MM78223;C=CC#CC(O)CCCN;FYNIMYGSZUYJIG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78224;MM78224;C#CC(C=O)(C=O)NC=O;PBSJBSMGHFKXGL-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78225;MM78225;C#CC(C#N)(C=O)NC=O;GFOSUHYZMDRAJQ-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78226;MM78226;C#CC(C#N)(C#N)NC=O;QCAPUDDVOGTIBC-UHFFFAOYSA-N;133.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78227;MM78227;CC#CC(O)CCCN;WBNFYOHSIXVTSM-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78228;MM78228;CCC(O)(CF)CCCN;RLZNCQAAIZCNLQ-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78229;MM78229;CC(F)C(C)(O)CCCN;BXYRWNDJXNTNEY-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78230;MM78230;C#CC(C=O)(C=O)OC=C;UVBRSKXRUUNAFD-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78231;MM78231;C#CC(C#N)(C#N)OC=C;ZBLRNCZADWMABS-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78232;MM78232;C#CC(C#N)(C=O)OC=O;LFBSYTGGGKYOJQ-UHFFFAOYSA-N;137.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78233;MM78233;C=CC(CNCCC)NC;KUCLEFVFKIBWSC-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78234;MM78234;CCN(C=O)C=CCCN;BBJZQGZJOBZUQA-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78235;MM78235;C#CCC(C#C)(C#N)C=O;HAYYLLXNRUVWBF-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78236;MM78236;C#CC(C#C)(C=O)CCO;CGJVZGBJRZAFKO-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78237;MM78237;C=CC(CF)C(=C)CNC;NOWUGBKQSRGSLQ-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78238;MM78238;C=CC(CF)=C(C)CNC;MYAIRCJHCZIPOK-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78239;MM78239;C#CC(C#C)(C=O)COC;LOJBFWYCBREEHX-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78240;MM78240;C#CC(C#C)(C#N)COC;REFNZZNSXAAUCH-UHFFFAOYSA-N;133.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78241;MM78241;C=NN=CCNCCCN;ZZJFLCGMTMGDKV-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78242;MM78242;C#CC(C#C)(C#N)OCC;GKIDNXJNQXODQD-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78243;MM78243;C#CC(C#C)(C=O)CC#N;CCIXBJGGJJFUAS-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78244;MM78244;C#CC(C#C)(C#N)CC#N;RRIXMPKYEIAPBR-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78245;MM78245;NCCCNN=CCCF;QFVUPYODDJXWDW-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78246;MM78246;C#CC=C(C=NOC)CO;MFEHEIUCTKQROU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78247;MM78247;C#CC(C#C)(C=O)NC=O;RGRVMEQOFCXKGW-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78248;MM78248;C#CC(C#C)(C=O)OC=O;OVYPNNPKFHFDLP-UHFFFAOYSA-N;136.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78249;MM78249;COCC=NNCCCN;MUAZVIKIPMRWEH-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78250;MM78250;NCCCNN=CC=CF;DQPXKTBEAZOMIF-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78251;MM78251;C=CC(C)N;JDCBWJCUHSVVMN-UHFFFAOYSA-N;71.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78252;MM78252;CCC(F)C(O)CCCN;LPCZXXAQEXVMCF-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78253;MM78253;C#CC(C#C)(C#C)NC=O;JEVZQRZWBJSLOR-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78254;MM78254;C=C(C)CNC;NOBVTKCADZWKHR-UHFFFAOYSA-N;85.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78255;MM78255;CC(C)(CN)CN;DDHUNHGZUHZNKB-UHFFFAOYSA-N;102.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78256;MM78256;C=CC(C)(C)CN;QYINCSDHMJPJRV-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78257;MM78257;CC(F)C(O)CCCN;LFWZFHGGBQYLHK-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78258;MM78258;CC=CC(CO)(CO)CO;ODHJKBPNMDJJDS-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78259;MM78259;CC(C)C(N)CN;JUGFAVYVWUFUCN-UHFFFAOYSA-N;102.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78260;MM78260;C#CC(CC)CN;FPIRGTNOVSQZJT-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78261;MM78261;CC(C)(C=CF)CN;MWFHSVFUATXQBO-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78262;MM78262;CC=CC(CO)(OC)OC;MCNBKYPMEOPJDO-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78263;MM78263;N=C(N)C=C(F)C=O;DCYOIOLNYSRPEJ-UHFFFAOYSA-N;116.1;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78264;MM78264;CCC(C=O)(C=NO)CO;XJAXGHKOLVXZEH-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78265;MM78265;C#CC(CC(C)O)=NNC;BZCBAWBIXAWFCC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78266;MM78266;C#CC(CC)=NNCCO;ZDNDPQCRVCHJMG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78267;MM78267;CCC(N)C(C)(O)C=CF;YBMDOGPJTSJJEW-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78268;MM78268;CCC(C#N)(C=NO)OC;OFTUBOKSEFPGBT-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78269;MM78269;COC(C#N)(C=NO)OC;ZNHPCIJEJAKSPV-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78270;MM78270;C=CCC(=C)CNC;LJJIKRXNHOPCNM-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78271;MM78271;C#CC(C=CC)(CO)CO;LMAYHMXHLYCBED-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78272;MM78272;C#CC(C=CF)(CO)CO;DODAKBOGQIJUFK-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78273;MM78273;CNCC(C)C(F)F;KEHSBCMXBWESQZ-UHFFFAOYSA-N;123.15;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78274;MM78274;CC(O)(CF)CCCN;BZFCBXQZLLZKMP-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78275;MM78275;CCC(C)(CN)CN;RHUFFBLLFAYITF-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78276;MM78276;C#CC(C=NO)(CO)OC;UJURZANKGXMSQH-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78277;MM78277;C#CC(C)(CN)CN;QOOYYINSHGACKP-UHFFFAOYSA-N;112.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78278;MM78278;C#CC(C=NO)(CF)OC;XNFXSUDMHZOGSV-UHFFFAOYSA-N;145.13;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78279;MM78279;C#CC(CN)CCF;RKHWDGMYBXPLNL-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78280;MM78280;C#CC(C=NO)(OC)OC;QOFNPLUVNZHYHN-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78281;MM78281;N#CC(C#N)(C=CF)CO;BBGBRXLSZKTMTO-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78282;MM78282;C=NNC(C#N)CC=O;QOQUNRBRCPUDBF-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78283;MM78283;C=CC(C=C)(C=NO)CO;AZQINMNQTYGMKE-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16566;MM16566;N#CC(C#N)(C=NO)CF;DEVXSRJVNHWHPK-UHFFFAOYSA-N;141.11;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78284;MM78284;CC(N)CN(C)C(C)C;JGPLGXKAPTVKMX-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78285;MM78285;COC(C#N)(C=O)C=CF;NWGIRMDMMYJMKO-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78286;MM78286;C=CC(C#N)(C=NO)OC;VEJUALJHGMVCDS-UHFFFAOYSA-N;140.14;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78287;MM78287;C#CC(C=O)(C=CF)CO;XOXOQUGELVPNKZ-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78288;MM78288;C=NOC(C)(C#N)CCO;YLGFCSMSFQQHPH-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78289;MM78289;C=C(C)CC(=C)CNC;OIXUGMLAZILFCA-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78290;MM78290;C#CC(C#N)(C=NO)NC;VXCZXCNQZSKBCV-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78291;MM78291;C#CC(C=C)(C=NO)OC;MWSAQCMPDWVQIX-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78292;MM78292;C#CC(C=O)(C=NO)OC;HYSDJTCCSMDFTN-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16440;MM16440;C#CC(C#N)(C=NO)OC;LRFAPUBCUCIDRV-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78293;MM78293;CNN=CC(F)CCO;NXXKEGJIRABFFS-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78294;MM78294;C#CC(C#C)(C=NO)CO;KUHZQBKEHOMFMK-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78295;MM78295;C=C(F)CC(=C)CNC;QNGYCNXDFJVMDT-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78296;MM78296;C#CC(C#C)(C=NO)OC;HNXYTQWGVMDLEM-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78297;MM78297;N#CC(C#N)(C=O)C=NO;OELGRXRRCXMUCP-UHFFFAOYSA-N;137.1;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78298;MM78298;N#CC(C#N)(C#N)C=NO;GTEZTEUGKPEMSJ-UHFFFAOYSA-N;134.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16425;MM16425;C#CC(C#N)(C#N)C=NO;PYMCPSIPBUQZDS-UHFFFAOYSA-N;133.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78299;MM78299;C#CC(C#C)(C=O)C=NO;RBXFSKAQPIZTND-UHFFFAOYSA-N;135.12;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78300;MM78300;C#CC(C#C)(C#N)C=NO;MIVMQZHOAXSSNU-UHFFFAOYSA-N;132.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78301;MM78301;N#CC=C(N)NCCCO;BOGHTMIVEXFECF-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78302;MM78302;C=C(C)C=C(C)CNC;JZQFIIZOPGYFAZ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78303;MM78303;CC#CC(CO)(CO)OC;UHWDGILXJFFIGM-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78304;MM78304;CC#CC(CO)(OC)OC;HXIJRAATOQGTFG-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78305;MM78305;C=CC(C#CC)(CO)CO;CJUUYTIMWUEUBK-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78306;MM78306;CC#CC(C#N)(CO)CO;MGTSGULPQLYNSN-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78307;MM78307;C=C(F)C=C(C)CNC;ROSFHUOZKNKNHI-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78308;MM78308;C#CC(=C)C(O)CCCN;HNGZNUAURRJZSU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78309;MM78309;CC#CC(C=O)(CO)OC;ABRUVOVKQTYERL-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78310;MM78310;CC#CC(C#N)(CO)OC;VLUCVTBVOZOGBC-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78311;MM78311;CC#CC(C=O)(OC)OC;UOMOLNKIZCDOID-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78312;MM78312;CNN=CC(C)(C)CN;RQDYUSPHNSWBOC-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78313;MM78313;C=COCC(O)CCCN;UOCZBUGFGGXBOA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78314;MM78314;C#CC(C#CC)(CO)CO;YEKIUUCTIXRMRZ-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78315;MM78315;CNC=C(C#N)CCCO;WCNYXRLMIUJEPK-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78316;MM78316;C#CC(C#CC)(CO)OC;GCXGLKADNBBDQV-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78317;MM78317;CC#CC(C#N)(C=O)CO;YXRFOJLZXTXGHU-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78318;MM78318;CC#CC(C#N)(C#N)CO;MZFPSNWFWQNDDB-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78319;MM78319;CCCC(C)(CN)CN;KMOWNWLKNQDRIA-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78320;MM78320;CNCC(C)(CF)CF;VYFARJMFTHNERI-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78321;MM78321;CC#CC(C#N)(C=O)OC;WCRXKGUVSRALMG-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78322;MM78322;CC#CC(C#N)(C#N)OC;WQRQHSTZWLQDST-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78323;MM78323;CC(N)C=CC#CCN;VWLDDRURKQOQJX-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78324;MM78324;C=C(CC=NN)CNC;NJRRVAZLZWLHHJ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78325;MM78325;CC=NNC(N)=C(C)C#N;STVWWSSKXQYOLU-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78326;MM78326;N=CNC(=N)CC=CF;CGVDKGSFGFVJGC-UHFFFAOYSA-N;129.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78327;MM78327;C=C(C)C(C)(O)CCCN;NYGWRVNUTCRNQE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78328;MM78328;C=CCNC(=N)C#CC;SEVUCRTUCOFOII-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78329;MM78329;CCOCC(O)CCCN;FHJYMKGPVPVSDM-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78330;MM78330;C=NNC=NOC(C)=O;ZPJLNBSANKLEGQ-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78331;MM78331;CC(O)(C=CF)CCCN;MBCALXYLDOVGPC-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78332;MM78332;CC(C)C(C#N)(C=O)CO;GYIDYCHIQUXZCV-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78333;MM78333;CC(C)C(C#N)(C#N)CO;NRUAYFNXWXSCRZ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78334;MM78334;CNCC(C)=CC=NN;JDGTUKRVLAPKNG-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78335;MM78335;C=CC(C#N)(CO)C(C)O;ZBPLGRMENIKYCW-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78336;MM78336;CC(O)C(C#N)(C#N)CF;GVVMKGJOCLASHI-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78337;MM78337;C=C(C)C(=N)NC=NC;IONWVCVGULSRDW-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78338;MM78338;C=NNC(=NC=N)OCC;GTUMYLPSLGNMRT-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78339;MM78339;C=NNC(C)C(C)CN;YOJMVSLVKYZBRS-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78340;MM78340;COC(C#N)(C#N)C(C)O;RCPPGKRQDAEATK-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78341;MM78341;C=CCC(=N)N(C)C=N;VTZDQDVFJUDKLO-UHFFFAOYSA-N;125.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78342;MM78342;C=C(CF)C(O)CCCN;ZXEAISOSBZTMGW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78343;MM78343;CN(C)C(C#N)(C#N)CO;BZGWBUBMTKNLNK-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78344;MM78344;C#CC(C=O)(CO)C(C)C;QZUCDBJCRGLYGF-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78345;MM78345;CNN=CC(C=O)CC#N;REBBJTBLPIARSF-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78346;MM78346;C#CC(C=C)(CO)C(C)O;MZKDYNRUKLYIGL-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78347;MM78347;CNN=C(C#N)C=NOC;UALZAFCOLKBCSP-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78348;MM78348;C#CC(C#N)(OC)C(C)O;IHZGJSIWSGKPHC-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78349;MM78349;C=CC(CN)C(N)CF;CYYZCDZYOUNVCD-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78350;MM78350;CC=NN=CNN(C)C;PYXWQZFGMNQIBC-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78351;MM78351;C#CC(OC)C(=N)NC;CVHHISHBJHSZGI-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78352;MM78352;C=NNCC(CC)CN;YLTCYMRJLFTJIS-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78353;MM78353;C#CC(CN)CCC=C;GASFAKZFTIIMCV-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78354;MM78354;C#CCNC=NOC(C)=O;QGQGHITYZMLPBQ-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78355;MM78355;C=CC(C)C(N)C(O)CC;IKVJSUWRBIXOEJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78356;MM78356;CC(C)(C=C(F)CN)CN;QKXLQRQVBLQMPI-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78357;MM78357;C#CC(C#C)(OC)C(C)O;TYMQBKMPZYVDMG-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78358;MM78358;CN(C)N=CC(C)(C)CN;LMNYQDUTIKTMKG-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78359;MM78359;C=NNC(=NC)OC=NN;NMWIMAHYVZUYQW-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78360;MM78360;CC(O)C(C#N)(C#N)C=O;TTWFOLHTTUNRSH-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78361;MM78361;CC(C)CC(C)(CN)CN;RLYWJBVMCOYLFP-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78362;MM78362;CNCC(OC)C(C)(C)N;NSTSGWUDPFYEBB-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78363;MM78363;CN(C)C(C#N)(C#N)C#N;NMBGHNIVQIAIPB-UHFFFAOYSA-N;134.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78364;MM78364;C#CC(C#N)(C=O)C(C)O;FFUXUWSSKFWWAF-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78365;MM78365;C#CC(C#N)(C#N)C(C)O;TYQZRYDTOZVFFH-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78366;MM78366;CC(N)(C=CF)C=CCN;DJCCXKUOIIBQOF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78367;MM78367;C=CC#CC(C)(N)CCN;DASFGNZBLDIHIH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78368;MM78368;C#CC(C#C)(C=O)C(C)O;MXOXBDZHOLLLEF-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78369;MM78369;C#CC(C#C)(C#N)C(C)O;SOAVDKRMJIBCLR-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78370;MM78370;C=C(C)C(C)(N)C(N)CC;BQMQEQOJMIFBCW-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78371;MM78371;CC(F)CN(C)CCCN;LEMYVOFYXXIMCF-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78372;MM78372;C#CC=CC(=N)NC(C)=N;VPNJXCHGNBWMRQ-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78373;MM78373;CC(C)=CC(N)CCCF;YXIYIKKMINKNAV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78374;MM78374;C#CC(C)(N)C(C=C)CN;TZLOMVGQZLRMEX-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78375;MM78375;CC(C)(C=NOC=O)CN;ASSKARFTKIHMOO-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78376;MM78376;C=NNC=NOC=NOC;ZNVSRKPDDAZQMS-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78377;MM78377;C=C(CNC)C(C)(C)NC;OHWSKQBYFATMQQ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78378;MM78378;C=NOC(=NN)C(C)=CN;FNRMYMOKTGWAHF-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78379;MM78379;N#CC(=N)NC(=N)CF;OCNSILPHJUFJHT-UHFFFAOYSA-N;128.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78380;MM78380;C=C(C)C(C#N)(CO)OC;OTWALCFEOBLDAH-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78381;MM78381;C=C(C)C(O)CCCN;JOKFYCHDZCDVFL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78382;MM78382;COC(=O)C=C(C)C(C)N;BUWLUHYSQGAJDZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78383;MM78383;C=CC(C)(O)CCCN;LNAFPOYREMRFGU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78384;MM78384;C=NNCC#CC=O;WQUGFCYGRWMQIG-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78385;MM78385;CCC(C#N)(C#N)C(N)=O;LLOWFLPMKBEQOY-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78386;MM78386;C=C(F)C(N)C=CC(C)N;SEILEUPGHLSOSV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78387;MM78387;C=C(F)CCNC(C)CN;KSJVIYHEOKMNNM-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78388;MM78388;CC(N)C(C)(C)O;OVKDLPZRDQTOJW-UHFFFAOYSA-N;103.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78389;MM78389;C=C(C#N)CC(=C)CNC;PBBGBVOUBAPFKS-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-acetyl-2-methoxypropanedinitrile;MM02585;COC(C#N)(C#N)C(C)=O;LBXOEXYDCXUSEQ-UHFFFAOYSA-N;138.13;0.01;88096451;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78390;MM78390;C=C(CNC)CC(C)=NN;TUELASBLUNFKGA-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78391;MM78391;C=NNCC(C#N)=NOC;ABVVFAATWIJZSI-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78392;MM78392;C=NN=C(C#N)CNN=C;SLMMQUVTOULJSF-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78393;MM78393;COC(C#N)(C#N)C(N)=O;ZWECBUHSKPLMGZ-UHFFFAOYSA-N;139.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78394;MM78394;C=CC(=C)C=C(C)CNC;WEQJUTFKQYUDIS-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78395;MM78395;NCCCC(O)C=CF;BXTQPWAIZXBZBH-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78396;MM78396;CNCC(C)=CC(C)=CF;YWYNZUPGEIPUHP-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78397;MM78397;C#CC(C#N)(CC)C(N)=O;HWNHFMFDJMGQIE-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78398;MM78398;C#CC(C#N)(CO)C(N)=O;GMCUNDCLUGEVQI-UHFFFAOYSA-N;138.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78399;MM78399;C=C(F)CC(CN)NCC;DQJODOSLFZNQIL-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78400;MM78400;C#CC(F)C=CC(=O)NN;FNGOGHORVCDAIG-UHFFFAOYSA-N;142.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78401;MM78401;C=NOCC(O)C#CCF;XNKLMCNDVHOOQK-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78402;MM78402;C#CC(C)C=CC(=O)NN;MYIJJXQHBINONE-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78403;MM78403;C=C(CC=NOC)CNC;LCYHMSNFZQIAMA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78404;MM78404;C#CCC(N)C#CCCN;SOEHTPMFILCHHW-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78405;MM78405;CC(C)N=C(NO)N(C)N;DTDRWSGGCKGYCI-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78406;MM78406;C#CC(C=C)(OC)C(N)=O;NETDZRMMBSBQCQ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78407;MM78407;C#CC(C#N)(OC)C(N)=O;YEASZSDLFVOIEZ-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78408;MM78408;C#CC(C#C)(CO)C(C)=O;ACOQXSCJDPIMLI-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78409;MM78409;C#CC(C)(OC)C(=N)NC;UVKHMPUMLVMNGP-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78410;MM78410;C#CCCC=CC(=O)NN;SMFSUCOVHKWTNI-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78411;MM78411;CC(CN)(CN)CCCF;VYVSJICQOOXEFF-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78412;MM78412;C#CC(C#C)(CC)C(N)=O;ZMNBTYZRJJEKGA-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78413;MM78413;C#CC(C#C)(CO)C(N)=O;ZASWAOAVMDKLCO-UHFFFAOYSA-N;137.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78414;MM78414;C#CC(C#C)(CF)C(N)=O;UHEKOPDTIFQWRI-UHFFFAOYSA-N;139.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78415;MM78415;C=CCCC(C)(CN)CN;XYQVGMNYMOWQHM-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78416;MM78416;C#CC(C#C)(OC)C(N)=O;YIMVJLLVXVLRCQ-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16288;MM16288;C#CC(C#C)(OC)C(=O)O;PKERPNGPFWXGFA-UHFFFAOYSA-N;138.12;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78417;MM78417;C=C(C)C(C#N)(C=O)C=O;CJOSWDJKNRSWAZ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02202;MM02202;CC(=O)C(C#N)(C#N)C#N;NPOUXGJURPRIEX-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78418;MM78418;C=CC(C)(CNCC)NC;JCTBIJPHDRWVDK-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78419;MM78419;C=CC(C)C(O)CCCN;ZHUPSNZLRBGZOR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78420;MM78420;CCOCC=CC(=O)NN;OSTRFUSYTGSJJV-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78421;MM78421;C=CC(=O)NN;KJASTBCNGFYKSR-UHFFFAOYSA-N;86.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78422;MM78422;C=CC(O)CCCN;PDHVIZQWXDSWLG-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78423;MM78423;C=CC(C=C)(C=O)C(N)=O;WQALPVYWQVCEGF-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78424;MM78424;C=CC(C#N)(C#N)C(N)=O;HBMQPZRDJXVHDF-UHFFFAOYSA-N;135.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78425;MM78425;N#CC(C#N)(C=O)C(N)=O;XZDCDSHPEUUZSE-UHFFFAOYSA-N;137.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78426;MM78426;N#CC(C#N)(C#N)C(N)=O;OTQHCXCMEIVADU-UHFFFAOYSA-N;134.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78427;MM78427;C#CC(C#N)(C#N)C(C)=O;DPNSLXYOYOFQPI-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78428;MM78428;C=CC(C)(C#CCN)CN;MYETVVHIPPCYBR-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78429;MM78429;C=C(C)C(CC)(CN)NC;VSBNBOUYIXITDI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78430;MM78430;CC=CC(=O)NN;MTANTOSWGQDIGK-UHFFFAOYSA-N;100.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78431;MM78431;C#CC(C#N)(C#N)C(N)=O;FBVRFLSYZQDQDZ-UHFFFAOYSA-N;133.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78432;MM78432;C#CC(C#C)(C=O)C(C)=O;UNNQGWPCNMRPCH-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78433;MM78433;C=CC(N)CCC(=O)OC;NPQNXYDSZMNPMC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78434;MM78434;C=CCC=CC(=O)NN;UDRURGSACJVHQF-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78435;MM78435;C#CC(C#C)(C=C)C(N)=O;FUAAEIRZLWRFSC-UHFFFAOYSA-N;133.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78436;MM78436;C#CC(C#C)(C#N)C(N)=O;XWWXZHHUVZEHSJ-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78437;MM78437;C#CC(C#C)(C#C)C(=C)C;NABSYNSNQVAEST-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78438;MM78438;C#CC(CN)CC(F)CF;NLVWKIJSFLYTIN-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78439;MM78439;C#CC(C#C)(C#C)C(N)=O;TVGOILFTXDMQNG-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16316;MM16316;C#CC(C#C)(C#C)C(=O)O;QTTVULGPOCCOPR-UHFFFAOYSA-N;132.12;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78440;MM78440;C=CC(C=C)CN(N)C=N;GDBDUPXBPZBLIN-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78441;MM78441;CNC(C=CC(C)N)CF;LQZPBXYERLVITO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78442;MM78442;CN=C(C=CN(C)C)NN;OXUYATCOLDPSJE-UHFFFAOYSA-N;142.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78443;MM78443;CCC=CC(=O)NN;DUJJSQOIIBWRGN-UHFFFAOYSA-N;114.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78444;MM78444;C=NN(C)C(C)C(C)CN;LVMGOYXTHLLKCT-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78445;MM78445;CN(CC=CF)CCCN;OLRJQSBMOXOOAZ-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78446;MM78446;C=CCCOCC(=N)NN;CTYMJAJPBYZBFG-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78447;MM78447;C=CC(=O)NC(N)=CC#N;HTGBMNVJJFFKIU-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78448;MM78448;C#CC(=N)NC=CCOC;SFXFKJHYBJLNFZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78449;MM78449;COC(=NC=NN)NO;YCSGEKWROMKINR-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78450;MM78450;C=NOCOC(N)=O;RXUIHMSSQJWZJW-UHFFFAOYSA-N;118.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78451;MM78451;C=CC(CC)C(N)C(C)O;LIVRUEGPLBETTD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78452;MM78452;C#CC(N)C(CN)CC=C;ZSTANSIYOWRMGO-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78453;MM78453;CC=CC(CN)C(N)CF;DZSNZKQREIMFMC-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78454;MM78454;COC(C)OCC(C)CO;BSQJUNDOMHOKKX-UHFFFAOYSA-N;148.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78455;MM78455;NCC=C(CN)C(F)=CF;GUUCRCJDTOTCFD-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78456;MM78456;N=C(N)C(=N)NO;SCXYOLDWIGAWJM-UHFFFAOYSA-N;102.1;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78457;MM78457;C=CC#CC(CCN)NC;WHEKKGWESDNLMC-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78458;MM78458;CC(CF)CCC(O)C=O;HTXRETYBIYTTFE-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78459;MM78459;C=CCNC(CN)=NCC;RPDZCDLQWHCDQG-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78460;MM78460;CC(C=O)CCC(F)CO;ORTCZHMHXIJNIC-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78461;MM78461;C#CC(=COC=O)C(=N)N;NGOYXQPAXNBYSE-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78462;MM78462;C=NN(C)C(=CC#N)CO;XSRZTKRDLAKOEA-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78463;MM78463;CCC(N)C(C)O;BKFGLDUWYUYHRF-UHFFFAOYSA-N;103.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78464;MM78464;C#CC(CN)CCCCF;CDVRBTMNRDBEIU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78465;MM78465;COC=CC(=NOC)NO;RZSXLFVEULXFDP-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78466;MM78466;CN=C(NC)OCCCN;KPSZTBMQHAYWGV-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78467;MM78467;C#CCC(O)CCCN;UFAVTKNMTOFWMS-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78468;MM78468;C=NN(C)C(=NN)C(N)=O;YMWBDCCFBNZPRG-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78469;MM78469;CC(CO)COC(C)C#N;IXXHAJYNVPHENJ-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78470;MM78470;CCC(O)COC(C)C#N;OUCJWPMDGKYCAE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78471;MM78471;CC=C(OC)C(N)CCN;QQAZXXGNEFEPDW-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78472;MM78472;CC(=CCN)C(=CF)CN;PDGHSJXRSGCLRV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78473;MM78473;C=CC(=O)C(C=C)CNC;JVTNVTLNFIXQIO-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78474;MM78474;C#CC(C)CN;LOJZQZIHVLXRDD-UHFFFAOYSA-N;83.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78475;MM78475;COCC(=N)NN;LMVHSBGGRJCGSI-UHFFFAOYSA-N;103.13;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78476;MM78476;CC(CF)CCN(O)C=O;AVGGLOLXIDYMRQ-UHFFFAOYSA-N;149.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78477;MM78477;CCNCCNC;MXJYVLYENVWKQX-UHFFFAOYSA-N;102.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78478;MM78478;CC(C)C(O)CCCN;FRRQZKYIEMYBTR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78479;MM78479;COC(C)CCN(O)C=O;NVFHQEFDAOXVRR-UHFFFAOYSA-N;147.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78480;MM78480;NCC#CCCN;SNQQYVXOFSHTPO-UHFFFAOYSA-N;98.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78481;MM78481;C=CN=CNC(C)=N;LQCRLOOGZKIXQC-UHFFFAOYSA-N;111.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78482;MM78482;COC(C)CON(C)C=O;YCRSZZVXGAGROZ-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78483;MM78483;C=C(CCF)C(C)N;PCHKYCWUSRYKKN-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78484;MM78484;C=C(C)C(CNC)C(C)=O;LTDBHUHECFIYKW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78485;MM78485;C=NNCC(C)CN;ODKCOFPXWGDOTC-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78486;MM78486;C=CC(N)CCCF;PSSHBGQLCZHGCB-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78487;MM78487;C#CC(=NC)N(C)C(N)=O;VJCOSCBYQWKPBK-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78488;MM78488;CC(C)(N)C(C)(N)CF;TYUSHYOPOCBDDG-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78489;MM78489;C#CC(C)OCC(F)CO;JGSQTFAKSXFALU-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78490;MM78490;CC#CC(C)(N)CCN;ZUSFRIVDHCNXKT-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78491;MM78491;CNCC(C)(N)C(C)F;UXXPPZXZQCZIFC-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78492;MM78492;CC#CCNN(C)C(N)=O;RUNQTBFDOQKBAL-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78493;MM78493;CNN=CC#CCC(N)=O;TUYJBBZJOXPLQT-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78494;MM78494;C=C(CC(C)F)C(C)N;RCCVXTTUQQMWIN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78495;MM78495;C=CC(O)COC(C)C=O;FMAJDNFEAJPVGC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78496;MM78496;CC(C#N)OCC(O)C=O;YNAGQVDTCWDFMR-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78497;MM78497;CC(C#N)OCC(O)C#N;BQWDBJHUDQNGKM-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78498;MM78498;C#CCON=CCCO;IQSSCKDLXDZVIY-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78499;MM78499;CC(=CC(F)F)C(C)N;COLZVOYMMMCXEI-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78500;MM78500;C#CC(C)(N)C(=N)NC;GHCZMHUDBVHTSQ-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78501;MM78501;CCC(N)(CF)CNC;RLIHCAVZYJSPEO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78502;MM78502;C#CC(=N)NC(C)=CC;BIUBDKXBTVHGOO-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78503;MM78503;C=CC(N)CCC(F)F;ARVMXSXOKMDGEY-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78504;MM78504;CN(C=O)OCC(O)C#N;KKPZQWWGMUIOQR-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78505;MM78505;C=CC(C)NCC(C)N;JAKUUMRXEPCAKW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78506;MM78506;CN(C)C(C#N)=NCC=O;XONKJGHNPWDHNQ-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78507;MM78507;CC(CCN)NCCF;QYYBGNLLYWSQKL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78508;MM78508;C#CC(C)OCC(O)C#N;RMBRYLMASWAYEW-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78509;MM78509;C=NOC(C=O)CCC#N;GRWNKRPNWITMDB-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78510;MM78510;C#CCC(C)NCCN;DGNRGAWMQWDGCY-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78511;MM78511;C#CC(O)COC(C)C=O;GNULMPPZAHRIBS-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78512;MM78512;C#CC(O)COC(C)C#N;GBVFHALMZJGEAJ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78513;MM78513;C#CC(O)CON(C)C=O;GEANUYDXUOSEHI-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78514;MM78514;C#CC(F)CON(C)C=O;UIXSBTLSWFYRGR-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78515;MM78515;CC(C)C(N)CO;NWYYWIJOWOLJNR-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78516;MM78516;C=C(CCCF)C(C)N;JKAJUJWXVRZMFA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78517;MM78517;C#CC(O)COC(C)C#C;IUEUDIPFKKNMDD-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78518;MM78518;CC=NNCC(C)CN;CMWDFIUDESHZBA-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78519;MM78519;CCC(O)CCC(=O)CO;COOPQESXSOJPKZ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78520;MM78520;C=CC(N)C(C)C=CF;ZZMRPOKDHPTEDA-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78521;MM78521;CCNC(CF)CCN;ACFPRFYRSCVUNR-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78522;MM78522;C#CCC(CN)NCC;SUXOJJJZOGYFTA-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78523;MM78523;CCNN=C(C=O)N(C)C;NXWHYNXCOJIRGC-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78524;MM78524;CCC(=CC=O)N=CN;QOBORURWBMSOMA-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78525;MM78525;CC=NN=CNCC(C)=O;UPASEDAVZKJDOD-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78526;MM78526;CCC(F)CNC(=O)NC;YLMBOPUEMZGHFE-UHFFFAOYSA-N;148.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78527;MM78527;CCC(F)CNC(=O)NO;RRIYXMCRYKBEKV-UHFFFAOYSA-N;150.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78528;MM78528;CCN(C=NC)C(C)=N;WCVYKCTWWSYLEK-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78529;MM78529;CCC(C#CCN)CN;BWZXASHBKRJORD-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78530;MM78530;CNC(=O)NCC(C)OC;SJXITSQCMCWWTL-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78531;MM78531;NCC=COC=CCN;KQDIMNMBJRVZHY-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78532;MM78532;CCC(F)COC(=O)CO;HMYRYAJAYYLFTJ-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78533;MM78533;CCCNCCOCCO;KLZYEOKJKWDFLT-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78534;MM78534;COCC(C)(N)CC(C)F;WJFVZAJQPRHHLP-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78535;MM78535;CNC(C)(C)C=C(C)CF;FYWININKECMQLG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78536;MM78536;CNC(C)CO;PXWASTUQOKUFKY-UHFFFAOYSA-N;89.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78537;MM78537;CNCC(C)(C)C(=O)OC;CVDOMJHQKVAACI-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78538;MM78538;CC(C)(CCN)NCCF;NTWDTGCMCIZAGI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78539;MM78539;NCCCC(O)CCF;IIWWNDWPQWYSIE-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78540;MM78540;C=CC(NC)C(C)(C)CN;VDVRKCFZYJDKTI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78541;MM78541;C=NN=C(C)NCC#N;GSBPOGMCRYDHTO-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78542;MM78542;COCCC(O)CCCN;AIUMMAFFYOMAQM-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78543;MM78543;C#CC(C)(N)CNCCC;UEUUHYIIJBYYQB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78544;MM78544;CCC(=O)COC(C)CO;HNLICOVJSUXBGE-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78545;MM78545;NCCCC(O)CC=CF;BSVVXYTYRGPFEW-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78546;MM78546;CCCC(N)(CF)CNC;RQMCKXCEDQIYAW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78547;MM78547;C#CC(C#C)=NNC=NN;KVWOAPNLKPKKPE-UHFFFAOYSA-N;134.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78548;MM78548;CNCC(C)(C=NN)CF;BZRNKCNXHNSBNW-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78549;MM78549;C=NOC(=O)CN(C)C=N;MOQKICQWXCIMGV-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78550;MM78550;C=CC(=O)CCC(O)CF;UYNKSLUWVHHPRN-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78551;MM78551;CCC(=O)C=C(C)N=CN;CUYBHBMLMLNFNO-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78552;MM78552;CCC(O)CCCN;GWIBVMYPMCXSKP-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78553;MM78553;CC(CF)CNC(=O)C#N;IEFOFWVFPPSYIC-UHFFFAOYSA-N;144.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78554;MM78554;C=CC(=N)N(N)CC(C)F;FJHBSLQZTZUXSK-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78555;MM78555;C=NOC=NNC;QJYGUPMHKOEZSL-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78556;MM78556;C#CC(N)C(C)=CC(C)N;XBFQGUDZUWASEO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78557;MM78557;CNCC=COCC(C)N;CXDKEEFPJWONEH-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78558;MM78558;C#CCNCC=CC(C)N;KELKTYCZWVZFLI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78559;MM78559;CCC(O)COC(=O)C#N;KIMUCIBELFTLEW-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78560;MM78560;N#CC(=O)OCC(O)CO;JPOOHSQVOFPOSN-UHFFFAOYSA-N;145.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78561;MM78561;C=CC(=O)OCC(O)CF;MNADOJVPSUQHEL-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78562;MM78562;N#CC(=O)OCC(F)CF;VKWSEEHQBGEMTJ-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78563;MM78563;C#CC=NNCC(C)=O;BNLUCRTXQGRJIJ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78564;MM78564;C=NNC(=NC)ON=C;AAJOVUSMXOSBPO-UHFFFAOYSA-N;128.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78565;MM78565;C=C(C=O)COC(C)CO;UQJSEODPULPNOE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78566;MM78566;CC(CF)OCC(=O)C#N;IPCUBQZXHIEPBS-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78567;MM78567;CCCOCC(N)CNC;JHWXCVKUBAPIMW-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78568;MM78568;C=NN=C(N)NC(=N)CC;ZKDBHGRAVLWFBZ-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78569;MM78569;CNCC(C)NCCCF;WXHJAPYAFFCYOO-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78570;MM78570;CCOC=NN;JSEKGNDYALPQNK-UHFFFAOYSA-N;88.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78571;MM78571;C#CC=NNC=NN(C)C;WSAFCXKAXABTJH-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78572;MM78572;CC=COCC(N)CNC;CXIBQCJPELOZMS-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78573;MM78573;C#CC(=O)NCC(C)OC;XLCUBWJDXVBOQH-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78574;MM78574;CC=NOCC(N)CCN;ITZOJVMCIUGGBA-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78575;MM78575;NN=CCF;VWJKRQYPFNSWON-UHFFFAOYSA-N;76.07;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78576;MM78576;C=C(C#CCCN)CNC;IPJPEZLSNHDPKL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78577;MM78577;NNC(=O)C=C(F)CO;ZBWNFCLVGWAEEJ-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78578;MM78578;C=C(CCCCF)C(C)N;MXMYWUDYYXMQDT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78579;MM78579;C=NNCCC(=C)C(C)N;PIOGQJFYLVGCLN-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78580;MM78580;C#CC(=O)COC(C)OC;RGICJZDLUDKFLB-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78581;MM78581;C#CC(=O)NOC(C)CF;XTUOEYVEODTXSR-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78582;MM78582;C=CC(C)CCC(=O)CO;QVSNYHHIMGTJQR-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78583;MM78583;CC(C#N)CCC(=O)CO;DISLTQKEJCPZKZ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78584;MM78584;C#CCC(F)=CC(=O)NN;HGIXBVVDRXXTMM-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78585;MM78585;C=C(CCOC=O)C(C)N;GLMVPUQASLFGAN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78586;MM78586;C=C(C)C(N)C=CCNC;HIPOISIBDIKAJM-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78587;MM78587;C#CC(C#C)=CC(=O)NN;MGAPZSUECJTTIJ-UHFFFAOYSA-N;134.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78588;MM78588;C#CC(=CC(=O)NN)OC;XAEZJIRKKQLRRU-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78589;MM78589;C=CC(C)CNC(=O)CO;UZEMUYFZSOFUKS-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78590;MM78590;C=NNCC=C(C)C(C)N;NOKHWHBPKUIWPW-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78591;MM78591;C=CC(O)CNC(=O)CC;JVLINHJRWAWMHH-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78592;MM78592;CC#CCN(N)C(=O)NN;JWNVRAYNFPTFGS-UHFFFAOYSA-N;142.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78593;MM78593;CNC(=O)NCC(C)C#N;UXMXBGCVCRIAGP-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78594;MM78594;CC(C)(O)CCCN;HQRGNSMVEPYXHU-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78595;MM78595;CNC(=O)NCC(O)C#N;VDMOHOVTYDCTEB-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78596;MM78596;C=CC(F)CNC(=O)NC;LSRDJOUKWPDYPJ-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78597;MM78597;CC(=CCOC=O)C(C)N;OWNJGWUGTDNCJU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78598;MM78598;C=C(CO)OCC(C)C=O;VKVWMTUKWICSQK-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78599;MM78599;C=C(CO)OCC(C)C#N;LYMVSDCTQACDKM-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78600;MM78600;CCNC(C)C(N)C(C)F;CLRSCZXDODGAIA-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78601;MM78601;CC(C#N)COC(=O)CO;GQFXIUSEKCJHDS-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78602;MM78602;C=C(C)C(F)C(N)CCN;UBLKVBWMCGSBDJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78603;MM78603;C=CC(O)COC(=C)CO;FJHBUFVBVSVPAP-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78604;MM78604;C=CC(O)COC(=O)CF;ODNKNBVJJKBQBI-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78605;MM78605;C=CC(F)COC(=O)CO;RXTHKNSITPQHCS-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78606;MM78606;CC#CC(C)(O)C=NNC;PNEPUWKIDQPIFU-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78607;MM78607;CC(C#N)COC(=O)NO;KQJIHTGKKCCMQO-UHFFFAOYSA-N;144.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78608;MM78608;CNC(=O)OCC(O)C#N;IIYOOMMZAMLLMJ-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78609;MM78609;COC(=O)OCC(C)C#N;RFESMZJWQGZCIH-UHFFFAOYSA-N;143.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78610;MM78610;CCNC(CCF)CNC;DEKGGFOXWQQIMD-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78611;MM78611;CNCC(COC)N(C)C;CJAIWYBBHFGACM-UHFFFAOYSA-N;146.23;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78612;MM78612;C=C(CO)COC(C)C=O;VCWKRUTWQRYKOE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78613;MM78613;C=CC(=C)CC(C=C)NC;LTAMLBWDALNUBJ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78614;MM78614;CNC(=O)COC(C)C#N;GXZDRPZLYOGRIV-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78615;MM78615;CC(CO)CCN;DUAXLVGFFDFSAG-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78616;MM78616;C#CC(C)(O)C=NNCC;KIRKNSBYTGQNPL-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78617;MM78617;O=CCCCCNCCO;GLFABRYOTAMBSL-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78618;MM78618;C=CC(C)ONC(=O)NC;JOJHOMPQACTZJC-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78619;MM78619;CC(C#N)ONC(=O)NO;KFPZIFYAGRBACM-UHFFFAOYSA-N;145.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78620;MM78620;C#CCOC=CC(=O)NN;JHXSQIVVMRJCJC-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78621;MM78621;CC(=CC(=CF)CN)CN;BMXKCUUPBVMHDT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78622;MM78622;N#CCOC(=O)CNC=N;BEMQAJFZONGEOQ-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78623;MM78623;C=C(CF)CCN(O)C=O;QMVIROZKIGQRPM-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78624;MM78624;C#CCNC(=N)N(C)OC;SZHUJCGTWRADLJ-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78625;MM78625;NNC(=O)C=CC=CF;YJMHYQRNGGMZLR-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78626;MM78626;C=CC#CC(N)C(C)CN;DRRDRYATJAULNL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78627;MM78627;C=CC(=C)CCC(O)C=O;FFIAHTWHHIGLKU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78628;MM78628;N#CC(O)CCC(=O)C=O;ITZJDFYMRFXQAY-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78629;MM78629;C#CC(=CC(=O)NN)NC;AULPNWYJPXAVCW-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78630;MM78630;C#CC=NNCC(C)CN;LYTHNDFSJBYNAJ-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78631;MM78631;CC(O)CCCN;VJGRDSFPHUTBBE-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78632;MM78632;C=CC(C)CNC(=O)C#N;DXEGMCCYUJOQOF-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78633;MM78633;N#CC(=O)NCC(O)C#N;XLWGLOYMWSGIHY-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78634;MM78634;C#CC(C=C)=CC(=O)NN;WXMIIJRQHNAESS-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78635;MM78635;CC(=CC(=O)NN)CF;COVWHXFPKAACDQ-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78636;MM78636;C=CC(F)CNC(=O)C#N;VWBISMFDOGOPHZ-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78637;MM78637;CC(C=O)COC(=O)C=O;OGQSSGRSOYMZDP-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78638;MM78638;CC(C=O)COC(=O)C#N;BRWXEINABIRUDJ-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78639;MM78639;CC(C#N)COC(=O)C=O;DRAYFSMVCQCOIO-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78640;MM78640;C=CC(=C)OCC(O)C#N;ZECBMGMDZKQQPL-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78641;MM78641;C=CC(=O)OCC(O)C=C;ZVZUOJROSSCAKO-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78642;MM78642;C=CC(O)COC(=O)C#N;ZRNNRUUZBBHTPP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78643;MM78643;N#CC(O)COC(=O)C=O;NOKSNBGUPJADTQ-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78644;MM78644;C=C(C=O)OCC(F)C#N;SXRAUOHMTJXLDQ-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78645;MM78645;C#CC(C)=C(C)C(=O)NN;AJHNVLCSXJEZTP-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78646;MM78646;NCCC#CCC(N)CF;FEICBSVULYJKJM-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78647;MM78647;C=COC=CC(=O)NN;JPMYRECDUQPFAL-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78648;MM78648;CC=C(CCF)C(=O)NN;NCGGSCPYRXRILL-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78649;MM78649;CC(C#N)OCC(=O)C=O;YPCBHFNJPQAPJR-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78650;MM78650;CCC(=CC(=O)NN)CF;PBAZLYHFSVAFDF-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78651;MM78651;CCOC=CC(=O)NN;JXQAVINPADHZBT-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78652;MM78652;CC(=COC=CCN)CN;OWIAWQSSULZODT-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16334;MM16334;CC(C#N)ONC(=O)C#N;OEXJNNLQSCFHRR-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78653;MM78653;C=CCC(C#CCN)CN;BOQCXTMAJPYGSA-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78654;MM78654;C=CC(C)C(CN)CCO;JNDJIWQYUJYZGM-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78655;MM78655;C#CC(=O)CCC(O)C=C;FVPGRSNZNQZNPC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78656;MM78656;C#CC(N)C(CN)C(C)C;KQNMMNILQQYZLZ-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78657;MM78657;C#CC(=O)NCC(F)C=C;BUZLIVYQZYBYEV-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78658;MM78658;C#CC(=O)OCC(C)C=O;LXZFZFNTGHSJLX-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78659;MM78659;C#CC(C(C)CN)N(C)C;KVQXFJBAWVTIAD-UHFFFAOYSA-N;140.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78660;MM78660;C#CC(=C)OCC(O)C=C;JFUOXQVJFPLPJK-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78661;MM78661;C#CC(=C)OCC(O)C#N;HFSKJNBLKZKRHZ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78662;MM78662;C#CC(=O)OCC(O)C#N;SACSTEWFMWOPRN-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78663;MM78663;C=COC(C)=CC(=O)NN;IUBSKCILMSXQQB-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78664;MM78664;C#CC(=O)COC(C)C=O;LBHMXPCWDVVFSD-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78665;MM78665;C#CC(=O)COC(C)C#N;FNNZAIJVRUODQL-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78666;MM78666;CCCCN(C=N)N(C)C;FHNDWUJKKUWPIP-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78667;MM78667;C#CC(=O)NOC(C)C=C;LDDSTIAADVWEOA-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78668;MM78668;C#CC(=C)CCN(O)C=O;ZVWXMIPFFYQDBQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78669;MM78669;C#CC(=C)CON(C)C=O;YGNQPUUZPWLCMZ-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78670;MM78670;C#CC(=O)CON(C)C=O;QPSFSAGWMCWREG-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78671;MM78671;C=CCOC=CC(=O)NN;YWKFLZGGMSGKRT-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78672;MM78672;CC(C)OC=CC(=O)NN;KVOLERDGJJUZFQ-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78673;MM78673;C#CC(O)CCC(=O)CC;XEWGXCGATWHWFA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78674;MM78674;CC(C)C(C#CCN)CN;AHQLLRRAZBACKT-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78675;MM78675;CC(F)=C(C=CCN)CN;LFCTZDLPBJLVLY-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78676;MM78676;C#CC(C)CNC(=O)NC;YSYZLFJRXGLFSU-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78677;MM78677;C=CC(NC)C(CC)NC;MAHSMAXZCUVKSY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78678;MM78678;C#CC(C)COC(=O)CO;OGDCZADFXQIJNB-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78679;MM78679;C=CC(CN)=C(C=C)CN;GWDCPETXYJGEOM-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78680;MM78680;C=C(C)C(C)N;WRECWMOOUJKRLA-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78681;MM78681;COC=CC=CC(=O)NN;RSEXURATAOTORK-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78682;MM78682;C=CC(N)CC;QQNANNQWXIBBTR-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78683;MM78683;CC1CC1(C)CN;SIAGGBZUCIEXPX-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78684;MM78684;CC1(C)CC1(C)CN;CHJLJWSJVBXKDI-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5";;;;;;;1.21;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78685;MM78685;C=CC(C)C(N)C=C;UURGGQNFDVZTSW-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78686;MM78686;C#CC(C)OCC(=O)NC;JQTNLJFOTHXZBX-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78687;MM78687;C#CC(N)C(=N)NC;YNQRTMSWPYGUQL-UHFFFAOYSA-N;111.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78688;MM78688;C#CC(O)CCC(=O)C=C;DARXVPYLOWRKLO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78689;MM78689;C#CC(F)CCC(=O)C=O;CUFTVBWDHKCBDY-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78690;MM78690;C=C(C)C(=O)NN;WRCDBWVYCOKFIO-UHFFFAOYSA-N;100.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78691;MM78691;C#CC(C)COC(=O)C=O;GZTNZLQDVAMYCO-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78692;MM78692;CC1C(C)C1(C)CN;YAKOKXRLOJQVHB-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78693;MM78693;C#CC(O)COC(=C)C#N;LFZAMBHJMYESFM-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78694;MM78694;C#CC(O)COC(=O)C#N;VETRNFKGKWZHFF-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78695;MM78695;CCC1(CN)CC1C;NWUVCECETDQZHN-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5";;;;;;;1.21;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78696;MM78696;C#CC1(CN)CC1C;HCIGRDPYDLHEFK-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78697;MM78697;C#CC(C)OCC(=O)C=O;ZERHPXQWSPMCHH-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78698;MM78698;C#CC(C)OCC(=O)C#N;AHQJTDXWXCWNEF-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78699;MM78699;COCC(C)(N)CCF;QUWVTOMOMNRTCL-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16336;MM16336;C#CC(C)ONC(=O)C#N;AHFVLSDLZCFIIK-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78700;MM78700;C#CC(C)(CCN)NC;JUROILSOEMKSPX-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78701;MM78701;CC(=NNCC=O)N(C)C;KVBBGRYTYGNHHK-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78702;MM78702;C=CC=CC(=O)NN;QXCHDWCPHNQRQW-UHFFFAOYSA-N;112.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78703;MM78703;C#CC(=O)NCC(O)C#C;SZJRKDVKAFPWSA-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78704;MM78704;C=C(C)C#CCCNC;MBBNZLTUUMINBC-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78705;MM78705;CCN(C)C(C)C(C)N;NDOJHIGLENTCPB-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78706;MM78706;C#CC(=C)OCC(O)C#C;GPRFATFEHFGWRC-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78707;MM78707;C#CC(=O)OCC(O)C#C;GECDDFINVMGLHZ-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78708;MM78708;CC(=O)NC(C)CCCN;NLHOBJNMJUXSMW-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78709;MM78709;CC(CF)NCCCN;YWJPRHRBTNIJOT-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78710;MM78710;C#CC(=O)NNC(C)C#C;YXCSFDQPHXDMQR-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78711;MM78711;CCOC(C)C(=N)NN;ORJVYZGOROCKAW-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78712;MM78712;C=C(CO)CCC(=O)CF;HKAYIZVLZNQQDP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78713;MM78713;CC#CC(N)C(C)CN;UJTCYBDTUFOQDK-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78714;MM78714;CC(C)(CCCN)NC=O;CGVNYOWYCITQQE-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78715;MM78715;C=CN(CC#N)C(C)=N;JBKUBEGORJJTTR-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78716;MM78716;C=C(CCC(=O)CO)OC;XCITYHDKWKTSAQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78717;MM78717;CC(F)C(=CCN)CN;ZXQZMPKDUPTYLC-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78718;MM78718;CCC(CCCN)NC=O;ADGNBDIXBHOIAG-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78719;MM78719;CNC(=N)C(C#N)CC#N;DHNKQCYDNYSDFV-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78720;MM78720;C=C(CO)CNC(=O)CC;JMRUXYJIUPIPES-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78721;MM78721;C=NNC(=N)NC=C(C)C;PFGBVPWBTPBRGZ-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78722;MM78722;CCC(=O)CNC(=O)CC;JDDMJRMMPVYDMJ-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78723;MM78723;CCC(=NC=N)N(C)C;CVHUUBZDBSEOOQ-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78724;MM78724;C=C(C)C(NC)C(C)N;IZSHDYJCQICSKL-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78725;MM78725;C=C(CO)COC(=C)CO;QNOGUYXSKDAONN-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78726;MM78726;C=C(CN)C(=CC)CN;REZZGUXONUVKJR-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78727;MM78727;C=C(CF)COC(=O)CO;VLGIQXGYIQSSSW-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78728;MM78728;CC(C)=C(CN)C(C)(C)N;JDBJJWOZBBMCGP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78729;MM78729;C=CC(CCCN)C(N)=O;SAAUDCJCOOUNJX-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78730;MM78730;CN(C)CC(C)(N)CCF;VAUBGRRPPKGDDY-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78731;MM78731;CC(=NC(C)C)NN(C)C;FRXUGEMKVRRZSH-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78732;MM78732;C=C(CC)C(=O)NN;FPELLJPIGXXMKB-UHFFFAOYSA-N;114.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78733;MM78733;CC=C(C)C(=O)NN;DVSXXUNWMDKNQS-UHFFFAOYSA-N;114.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78734;MM78734;NC(CO)=NNC(=O)CO;XINKBASCKYIQGN-UHFFFAOYSA-N;147.13;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78735;MM78735;CCC(=O)NN=C(N)CF;PTRBAVBPNSQHAG-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78736;MM78736;CC=CC=CC(=O)NN;DAORANLCMKVPOR-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78737;MM78737;CCC(=O)NOC(=O)CC;QNLZHLAMPRACIH-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78738;MM78738;CCCNC=CC(=O)NN;ONFPQUMGHLDJKM-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78739;MM78739;CC(C)=C(C)C(=O)NN;VJKNUPUSLBZDJM-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78740;MM78740;CNC(=O)ONC(=O)CO;NTGSYBRXNKJUIU-UHFFFAOYSA-N;148.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78741;MM78741;CCC(=O)ONC(=O)NC;CXOCBFPTMGYCGK-UHFFFAOYSA-N;146.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78742;MM78742;CC(O)C#CC=NN;UIAZWXQWLOAYTL-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78743;MM78743;CC=C(CCCN)C(N)=O;CYAWLAJQTNGZOP-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78744;MM78744;C=C(C#N)N(O)C=NNC;JDJNYPKOUPCNJC-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78745;MM78745;CNN=CC(O)CCC#N;AEPGZBGGNTVBLG-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78746;MM78746;CC(CCCN)C(N)=O;DGSFNXGCUFENQF-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78747;MM78747;OCC=NNCC=CF;BAKQZZGJRJWHMH-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78748;MM78748;C=C(F)CC(C)(CN)NC;OBUCMNLOHMAQTA-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78749;MM78749;CCC(N)(CN)C(C)(C)C;HQERHEFOHYSBAE-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78750;MM78750;C#CC(=NN)C(C)CO;OQMKMEICGROOPF-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78751;MM78751;C=CC(N)C(C)(N)CCF;ZMSQESNRCKGLDC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78752;MM78752;C=C(C#N)CCC(=O)NC;GMXDLXMXIYLMPF-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78753;MM78753;CC(N)C#CC=CC(C)N;VNYBLBJLYNEOSE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78754;MM78754;C=C(CC)CNC(=O)C=O;ZMTLBNQGQXSGBP-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78755;MM78755;CCC(=O)CNC(=O)C#N;KBVOHBYPTMWZFU-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78756;MM78756;C#CC(C)(N)C(CC)NC;NPTRAUBRQQDUEF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78757;MM78757;C=C(CNC(=O)C#N)OC;POMPNRVFYLLBIV-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78758;MM78758;C=C(CO)COC(=C)C=O;GTPGONJLWRZKSO-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78759;MM78759;C=C(CO)COC(=O)C#N;MZHHTCLODJIWKY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78760;MM78760;C=C(C=O)OCC(=O)CO;KBDZEBIVEJKJFK-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78761;MM78761;CCC(=O)COC(=O)C#N;OLHLCOWPIROWRU-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78762;MM78762;C=C(F)C(C)(CN)CNC;KCRLBNKGLOUSOM-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78763;MM78763;C=CC(=O)OCC(=O)NC;BZHYWLQFJHJLSC-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78764;MM78764;C=C(COC(=O)C=O)OC;FYXOOJHHOYAYCY-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78765;MM78765;CCC(=O)NCC(=O)C=O;WFTMBVMASAQXMQ-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78766;MM78766;CCC(=O)NCC(=O)C#N;IXKNGGDXMHOANA-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78767;MM78767;C=CC(=C)CNC(=O)NC;ZWYJYXMZABNALK-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78768;MM78768;C=C(C#N)CNC(=O)NC;QSEBRYUJHOKZOF-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78769;MM78769;CC(F)=C(C)C(N)C(C)C;NNRQJKFRBOTRLY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78770;MM78770;C=C(C#N)CNC(=O)OC;VJJCGEAHWJKFDF-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78771;MM78771;C=CC(=O)NN=C(N)CO;YZHFWBDKLKGIDT-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78772;MM78772;N#CC(=O)NN=C(N)CO;DMIGLTBVQIWYRI-UHFFFAOYSA-N;142.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78773;MM78773;N#CCC=NNCCO;GVGVLKRVGSVFLP-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78774;MM78774;CCC(=O)NN=C(N)C=O;ZWNZCYXDYSEQGD-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78775;MM78775;CCC(=O)NN=C(N)C#N;RQZRBVZTBZCNQZ-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78776;MM78776;C=CC(N)=NNC(=O)CO;GENMVDUIEPOKQS-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78777;MM78777;CNC(=O)NN=C(N)C=O;LZYROOOOBSWTNR-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78778;MM78778;CCC(=O)NOC(=O)C#N;DZLNLCYGMIFMCI-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78779;MM78779;N#CC(=O)ONC(=O)CO;QVHWSUSXDFAMLX-UHFFFAOYSA-N;144.09;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78780;MM78780;CC#CC(C)=NNCCO;VRCDCXQBXFQVGC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78781;MM78781;CNC(=O)NOC(=O)C#N;QSTYHTQYVYSMLL-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78782;MM78782;C=C(C#N)COC(=O)CO;SVPNVUPRBQRESH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78783;MM78783;C=C(CNC(C)C)C(C)N;BLHPEYZHBBOCMH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78784;MM78784;CC(N)C=CC(N)C(C)F;AGRMNMNYJSZXDP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78785;MM78785;C#CC=NNC(C)C(N)=O;VMNIEWSRAXKGJA-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78786;MM78786;N#CC(=N)NOC(=O)NO;WHTHJFKJBZNYJH-UHFFFAOYSA-N;144.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78787;MM78787;C=CC(=O)NOC(=O)NC;XNKONZYQOWETLK-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78788;MM78788;CNC(=O)ONC(=O)C#N;JNGCVSRUOUDWAK-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78789;MM78789;C=CC(=O)NOC(=O)NN;MAJHFXCYVBXBDK-UHFFFAOYSA-N;145.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78790;MM78790;N#CC(=O)NOC(=O)NO;DRJQRJQBPDTJNJ-UHFFFAOYSA-N;145.07;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78791;MM78791;C=C(CNC)CNCCC;XPJAQADYWFEKPP-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78792;MM78792;COC(=O)ONC(=O)C#N;LMXUZMRNEMTOPE-UHFFFAOYSA-N;144.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78793;MM78793;CN=C(C#N)N(C)CC=O;OGPHSHJGBPBERU-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78794;MM78794;C#CC(=O)NCC(=C)CF;TVPXUIKIZCHEOL-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78795;MM78795;C=CCC(F)C(N)CCN;HHEWFVNMHDWMBJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78796;MM78796;C=CC(NC)C(N)C(C)C;ZAAJLCPGSYMXPV-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78797;MM78797;C=CCNCC(N)C(C)C;JXALLWIOKIPFHM-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78798;MM78798;C#CC(=O)OCC(=O)CC;LQQJHRFRAYYBIH-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78799;MM78799;CC(=O)N(C)CCCCN;TWZOPZRLSKCQJZ-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78800;MM78800;C#CC(=O)OCC(N)=NO;ABDJOZKNWMXPCI-UHFFFAOYSA-N;142.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78801;MM78801;C#CC(=C)OCC(=O)NC;UOYJCEJOAZXNDH-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78802;MM78802;C#CC(=O)OCC(=O)NO;LVQJYGVHWBAIHN-UHFFFAOYSA-N;143.1;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78803;MM78803;CN(C)C(=N)N(C)CC#N;XHCXTETZGDILJZ-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78804;MM78804;C#CC(=O)NN=C(N)CO;HKKTVYUBWWWSSO-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78805;MM78805;C#CC(N)=NNC(=O)CC;SOBWDFUWQTUHEX-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78806;MM78806;C#CC(N)=NNC(=O)CO;AKCFHPUSBIAUBS-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78807;MM78807;C=CC(CF)CN(N)C=N;PEUFKWKUXJWDBJ-UHFFFAOYSA-N;145.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78808;MM78808;C#CC(=O)ONC(=O)CO;KPYVGCRRYMGQBP-UHFFFAOYSA-N;143.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78809;MM78809;C=NN(CC)CC(=O)C#N;RGTUNKVDUKKRKA-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78810;MM78810;C#CC(=O)ONC(=O)NO;KFKRDROBGZYVIU-UHFFFAOYSA-N;144.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78811;MM78811;C#CC(=O)COC(=C)CO;YTSYGVCMZPWJMQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78812;MM78812;C=C(CN)C(=C)C(=C)CN;UANZIJMNQWUOBB-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78813;MM78813;C#CC(=C)COC(=O)CO;XTQQWGPKECKARC-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78814;MM78814;C#CC(N)=C(C)C(=N)NN;LSLRUNYFRWPYBS-UHFFFAOYSA-N;138.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78815;MM78815;CC(C)(CCCN)C(N)=O;RHCWRIBYJCKHLR-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78816;MM78816;C#CC(C)N(C)CCCN;MBJIPTJXMXXYNM-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78817;MM78817;CCC#CC(N)C(C)CN;RHSWUFGNWOYSLY-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78818;MM78818;CNC(C)CNCCCF;CRGTVKCIFHGZSH-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78819;MM78819;CCC(CCN)CC(N)=O;XVPSZADELTZPLL-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78820;MM78820;C#CC(=N)NOC(=O)NO;DOHBJRXDXGZYLR-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78821;MM78821;C#CC(=O)NOC(=O)NC;OXKNWLGOMNRRTD-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78822;MM78822;C#CC(=O)NOC(=O)NN;CRYBPXJZCKHQAM-UHFFFAOYSA-N;143.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78823;MM78823;C#CC(=O)NOC(=O)NO;HUEMZCARPQYGDJ-UHFFFAOYSA-N;144.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78824;MM78824;C#CC(N)CC#CCCN;MBGPVTTVRZLIAX-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78825;MM78825;C#CC(=O)NOC(=O)OC;KTUIJPDCIWUBFZ-UHFFFAOYSA-N;143.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78826;MM78826;C=C(C#N)CCC(=O)C#N;CWSJCYUZBKGWKF-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78827;MM78827;C=CC(=O)CCC(=O)C=C;WDJQTMBKTKCWHD-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78828;MM78828;N#CC(=O)CCC(=O)C=O;PRLBCUFNEMTQRX-UHFFFAOYSA-N;139.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78829;MM78829;N#CC(=O)CCC(=O)C#N;KXNKVYYLWIDVCK-UHFFFAOYSA-N;136.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78830;MM78830;CNC(C)CC#CC=NN;AUHXNBUVBWNSNR-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78831;MM78831;CNC(C)CC=O;SMKOXDVZNDVCPQ-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78832;MM78832;C=CC(=C)C(C=O)CNC;PYSOLNUAKHAFRS-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2,3-dioxopropyl 2-oxoacetate";MM02284;O=CC(=O)COC(=O)C=O;CXZXJMBFBKZQDW-UHFFFAOYSA-N;144.08;-1.5;88933788;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15641;MM15641;N#CC(=O)COC(=O)C=O;AQUDHXCIXFJRLO-UHFFFAOYSA-N;141.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78833;MM78833;CCCN=C(NN)NOC;NYMUVYNKJREODJ-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78834;MM78834;C=CC(=O)ONC(=O)C=O;ZCJURURVULKTDV-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78835;MM78835;N#CC(=O)ONC(=O)C=O;NQIAFASUCSPPEM-UHFFFAOYSA-N;142.07;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78836;MM78836;C#CC(=O)CCC(=O)C=O;NHZSXNXQOIJXTR-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78837;MM78837;C#CCC(NC)C(C)NC;ZJRKECKSYVECLI-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78838;MM78838;C#CC(=C)OCC(=O)C#N;UAZYETLBZPIWFH-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78839;MM78839;C#CC(=O)OCC(=O)C=C;UPAXBJVOKDLUJS-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78840;MM78840;CCC(F)C(=CCN)CN;JCSZLQQISLXDDF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78841;MM78841;C=C(CN)C(=CCC)CN;SOPGRFFUTSHUPP-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78842;MM78842;CCONC(=NC)NN;IEDUWTUFXKNGSS-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78843;MM78843;C#CC(=C)CNC(=O)C#N;XOCSZQGXJTWWDT-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78844;MM78844;C#CC(=O)ONC(=O)C=C;WOWWHVHXYRTMEC-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78845;MM78845;C#CC(=O)ONC(=O)C#N;OUYLXUBNGMIZOM-UHFFFAOYSA-N;138.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78846;MM78846;C#CC(=O)COC(=C)C=O;WMWYMYXQHBVMHV-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78847;MM78847;C=CC=C(CN)C(=C)CN;VXCAEDLVURKJMA-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78848;MM78848;C=CCNC(C=C)CCN;GZHVZFXQENPLPU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78849;MM78849;C#CC(=O)NOC(=O)C=C;AXCNFYBOEDLYKM-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78850;MM78850;C#CC(=O)NOC(=O)C#N;BQEHILFXZURTMC-UHFFFAOYSA-N;138.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78851;MM78851;C#CC(=O)CCC(=O)C#C;HKPMSKDDSJCIEB-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78852;MM78852;C#CC(=O)COC(=O)C#C;KKEOAACZUDLGIE-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78853;MM78853;CNCC=C(CF)CNC;BMZGKLFZDTZEEV-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78854;MM78854;C#CC(=O)NOC(=O)C#C;DOVHUCRFTCWHQE-UHFFFAOYSA-N;137.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78855;MM78855;C=C(CC)C(NC)C(C)N;CFAQZNPADHSVIU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78856;MM78856;CC=C(C)C(NC)C(C)N;YRMGVXQOGQYGSQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78857;MM78857;C=NNC(C)=NOC=O;KDLJZMMFWWPFTJ-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78858;MM78858;C=NOC(C=O)OC;QFBHVJWVHAIYSQ-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78859;MM78859;CNC(CCCOC)=NN;ZLONRHLZSJNXHF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78860;MM78860;CC(C)C=NN(C)C(=N)N;LTAXSCVTJLXULN-UHFFFAOYSA-N;142.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78861;MM78861;C=NNC=NCCCCN;JAPLBMJYQXXDLG-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78862;MM78862;C=C(CN)C(CN)=C(C)C;JARJEMCYCRBFBZ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78863;MM78863;CC=C(C)OCC(O)CO;OAEUABRNDJHUSU-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78864;MM78864;CCC(O)COC(C)=NO;PMXQNDFZPYGEJT-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78865;MM78865;C#CC(C=O)ON=C;PIXCODPFPQOKIW-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78866;MM78866;C#CC(C(=N)N)C(=N)NN;MBKGCKBYNVKUPI-UHFFFAOYSA-N;139.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78867;MM78867;C=C(NC=N)C(C#N)=CN;JVBHGQGYJRDZAN-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78868;MM78868;CCC(CN)OCCNC;BXGTXRQTWYDWKX-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78869;MM78869;C=C(F)C(C=NO)CNC;CRBRYVRPZXEJRP-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78870;MM78870;CCN(C=O)CCCCN;YJMUAVMIIFVBIL-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78871;MM78871;C=NNC=C(C=O)OC=O;HTVYIEHSYFVQGM-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78872;MM78872;C=CCNCC(C=C)C=C;PSGCVKKLKGCSIB-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78873;MM78873;NCCC=CCC=NO;ARWVPEVNHHJTNX-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78874;MM78874;C=NN(C)C(C)C(=O)C#N;ILRNFSAVWAGKNC-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78875;MM78875;C=CN(C=NN)N=CCF;PIEZKUHXZDBIGA-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78876;MM78876;C#CC(CN)CC#CCN;ZNWFOJIEDFWQQL-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78877;MM78877;COCC(CN)CC=NO;AOSYXTOSQXMKOG-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78878;MM78878;C=NN(C)C(CF)=NN;DWIOLZWYKNLUHH-UHFFFAOYSA-N;132.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78879;MM78879;CC(COC(C)C#N)=NO;GIYMZOCSTPSSJG-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78880;MM78880;C=NNC(=NO)NC(=N)N;LDCAMLIQDRZGQO-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78881;MM78881;C=NNC(=N)OC(C)=O;XKHKVTVQGHJHPB-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78882;MM78882;C#CC(=NC)NCCCN;VCMMZBUBPQZZGS-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78883;MM78883;C=C(C)CC(C#N)C(=N)N;ZTOLNQWPPHSIGU-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78884;MM78884;CC#CC(C)(O)C(=N)NC;RGFMDDUVGPZBRX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78885;MM78885;C=NNC(=N)C#CC#N;OXOGAMJMWKKCGR-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78886;MM78886;C#CC(C)(C)NC(=N)C#N;MAZCEAOGPFRKDE-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78887;MM78887;CC=C(C#CCCN)CN;IAOIWPDUWUBEOD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78888;MM78888;CC=C(C)OCC(=O)CO;SYVZVUJWGJCYSE-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78889;MM78889;C=C(CNC)C(CC)NC;IAWPXQIUYOYZTM-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78890;MM78890;C=NNC(=O)N(N)CCF;QQEAPARPACBJJB-UHFFFAOYSA-N;148.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78891;MM78891;CC=C(C)OCC(=O)NO;YIKYEBDUQJITED-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78892;MM78892;C=CN(C=N)C(C)=CC=O;HRWUCEBJCAHYHE-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78893;MM78893;CC=C(C)CNC(=O)CO;ZQRDAKJDIJGLGQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78894;MM78894;CC1(CN)CC1;NIJMHZCHTZXLJX-UHFFFAOYSA-N;85.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78895;MM78895;CC(N)C1(N)CC1;XKLLOALELYOMOD-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78896;MM78896;CC#CC(O)C(=N)NC;KJGVFSWEERUDNS-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78897;MM78897;C=NNC(=O)N(C)N;WFGRSGZDGNGPMP-UHFFFAOYSA-N;116.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78898;MM78898;CNN=CC(C)(O)C(N)=O;PWKMPWQVKNAQBT-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78899;MM78899;C=CC#CC(O)CCNC;LJFPFDYOTXHXIV-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78900;MM78900;CC(F)=C(C)C(=O)NN;LSDUIPJCMBSZPB-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78901;MM78901;CCC(=CF)C(=O)NN;ASHKCNHWYUKGOS-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78902;MM78902;CNC(C)(C)CC(O)C=O;WLKZTKJFVFLMIT-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78903;MM78903;CC(=NO)ONC(=O)NO;PEEBYMYTCXSJET-UHFFFAOYSA-N;149.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78904;MM78904;CCC1(CN)CC1;DFEBPTMNVUHJRX-UHFFFAOYSA-N;99.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78905;MM78905;CC#CC(C)(C)CN;KKPUZDTYMAJPGU-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78906;MM78906;CC(C)C(C)(C)CN;XRJDGOQUIYTWGH-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78907;MM78907;CC(N)C#CCCN;WDDOTHXVOOTRGV-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78908;MM78908;CCCC(O)C(=N)NN;YWJDRKNAUPIOKX-UHFFFAOYSA-N;131.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78909;MM78909;CCCCC(O)C(=N)NN;ABIXUYGSKYRMOG-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78910;MM78910;CCC(C)(CC)CN;HGGUWASRBGFLDM-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3";;;;;;;2.13;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78911;MM78911;CC(CCC(=O)C=O)=NO;MXXKQSHUFNTBEN-UHFFFAOYSA-N;143.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78912;MM78912;CCNN=CNN=CC#N;CAAHSJWQWXKKQK-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78913;MM78913;COC(C)C(=N)NN;AUUFIGNNYAIIPK-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78914;MM78914;CC(CNC(=N)C#N)=NO;KUAPRIQPKMZNQK-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78915;MM78915;CC(CNC(=O)C#N)=NO;UUOYLPYKEINSQJ-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78916;MM78916;C=C(CN)C(=C)CN;COJGPNZJDKLVQJ-UHFFFAOYSA-N;112.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78917;MM78917;CC=C(CF)C(=O)NN;KOGQFJZJXHAMNU-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78918;MM78918;CNC(C)C(O)C=CF;WNKZDOHLWBFOQI-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78919;MM78919;C=NNCC#CC#CCO;IKQHVZRTROLGCN-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78920;MM78920;CNC(C)C(O)C=COC;DEBUNXBJLKCSDX-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78921;MM78921;CNC(=N)N(O)C=CC=O;GQUMJOPCUQPMPS-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78922;MM78922;CC#CC(O)C=NNC;GIFBSGWOFIKLHT-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78923;MM78923;CC(=NO)ON=C(N)C=O;GRDZNTXADMJOOE-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78924;MM78924;C=C(C=O)OCC(C)=NO;RFLMNKWBWBVRAX-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78925;MM78925;C#CC(=C)C(=C)C(=O)NN;IDYLIASLIQWFRP-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78926;MM78926;CC(C)(C#CCO)NC=N;QJERGYKZIBLIQY-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78927;MM78927;C=COC(N)=CC(=O)NN;OLXSARAYOYXTQZ-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78928;MM78928;C=C(C)C(O)CNCC;CIUJZHIQRQGFCN-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78929;MM78929;C#CC=CC(O)CNCC;QQAALLPFDHCCBK-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78930;MM78930;CCNCC(O)C=C(C)C;RALZVMGVZZIAKV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78931;MM78931;C=C(C=COC)C(=O)NN;WEPSLYDRHSWFJP-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78932;MM78932;CC(=O)NN;OFLXLNCGODUUOT-UHFFFAOYSA-N;74.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78933;MM78933;C=CC(=N)NC=NC;VDMMGIYPVLIDNP-UHFFFAOYSA-N;111.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78934;MM78934;C=NOCC(=O)CF;LJLPDXWGRHLCFE-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78935;MM78935;C#CC=NNC(CO)CO;DQOZOBCOSQRQCT-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78936;MM78936;C#CC(F)C(=NC)NO;AUDQSDVDRHHQOZ-UHFFFAOYSA-N;130.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78937;MM78937;CC(C)(F)C(N)CCN;YXFGFYSCUCLCAK-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78938;MM78938;C=CC(O)CNCC;VGBIPRBKKGNWDZ-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78939;MM78939;CC(C=CC(O)CO)CF;CGJFBCWFRGWAJM-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78940;MM78940;CC(C)(N)C(N)C=CF;KCEYXORVUJGDLN-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78941;MM78941;C=C(C)CNCC(C)N;MWRYEBYYLBBYGF-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78942;MM78942;CC(CF)C(C)(C)CN;XTMKWVXFJIRBGU-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78943;MM78943;C=CCC(N)C(C)(C)O;IBDLLWLRXLTGMZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78944;MM78944;C=CC(C)(N)C=CCN;XYOCGGSRZIYEGQ-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78945;MM78945;C#CCC(C)(CN)NC;ZKKZTTVBGAZTDB-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78946;MM78946;C#CC(N)(CC)CCN;GDGKJPRFHJFKEH-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78947;MM78947;CCC(O)C=CC(O)C#N;UWKIEVTVRUIKRR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78948;MM78948;C=CC(=NOC=NN)NO;DBMTXIYNUFIUGG-UHFFFAOYSA-N;144.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78949;MM78949;C#CC(C)(CN)CC=C;JVPLFKYWNLCOLK-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78950;MM78950;CNC(C)C(C)(N)CO;JAZRXCZDYIYQBY-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78951;MM78951;C=CC(C)(NC)C(C)N;LQZWQSNTBDXCJK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78952;MM78952;C#CC(=O)C(C#N)NCC;WEBMXKLHZFKXEK-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78953;MM78953;C=C(CO)C(C)(F)C=NN;XAEXIRVXHINDTQ-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78954;MM78954;C=C(C)C(N)C(C)CF;MKSKSWVHSSBEBE-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78955;MM78955;C=C(C#CC=NN)CO;ACOLSRWVPHODJT-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78956;MM78956;CC=NOC(CC=O)OC;VWLPJHJBZLPUJG-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78957;MM78957;CCN=C(NO)N(N)CC;ATLPSENBDJMFGK-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78958;MM78958;N=CNC(=N)N(N)C=N;CSKCHCGKKLJOKE-UHFFFAOYSA-N;128.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78959;MM78959;C=COC(C=NN)=CCO;DHADSTOROOGMIF-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78960;MM78960;CC=CC(=N)N(C)C=N;IFRKURHWHODZTN-UHFFFAOYSA-N;125.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78961;MM78961;C#CC(CCO)=NNCC;JCAICHCQAWQSDV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78962;MM78962;C#CC(CCN)NCC;GFMJIDHKYKKOIX-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78963;MM78963;C=NN(C)C(=NN)OC;FPRAEUOEXXVMKI-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78964;MM78964;C=CC(CCN)N(C)C;MPEJJCUHVPMCCN-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78965;MM78965;C#CC(=O)C(C)NCC#N;WKQYBTWCSDMREO-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78966;MM78966;CCC(CC)(CC)CN;ZSUSGBQRHRZDAP-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1";;;;;;;2.47;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78967;MM78967;C#CC(CC)(CC)CN;GPTIGYHGPFDTOB-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78968;MM78968;C=NNCC(C#N)CF;SHMVCWVTEIPIFF-UHFFFAOYSA-N;129.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78969;MM78969;C=NOCOC(=O)C=NN;KBRNAOUSTRJSIF-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78970;MM78970;C#CC(O)C=CC(C)CO;OVSYOBMRMRZYRG-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78971;MM78971;C#CC=NOCC(=O)NN;DMZPVONOYVEUAW-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78972;MM78972;C#CC(O)C=CC(O)CC;HYSRABRQGIOUDW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78973;MM78973;CC(C#N)C=CC(O)C=O;DLCDBSAICNENTO-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78974;MM78974;CC(C=O)C=CC(F)C#N;ZRFOCWMHDIRAPA-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78975;MM78975;CC(CN)=C(CN)CF;GSEMRSNYISTYJP-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78976;MM78976;C=NNC(C#N)C(C)=O;MHJZBOVXQJRPPJ-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78977;MM78977;CC(C=O)C=CN(C)C=O;GBLDDWHASGVWCM-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78978;MM78978;C=CN(N)C(=NC)NO;CQHWAKXBIVGSTC-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78979;MM78979;C#CC=CN(C)C(=N)NO;IJCDJBFHBXGURO-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78980;MM78980;C=CC(=C)C(N)C(C)(C)N;BHJSMMDJFCMEJU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78981;MM78981;C#CC(C)(N)C=CC(C)N;MGXDZWOTTXPOMF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78982;MM78982;C=CN(N)C(=NCC)NO;MKCYNKAOWDQKKF-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78983;MM78983;CC(C#N)N=CN(C)C=O;OJMTZXVDJNVLDJ-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78984;MM78984;C=CC(C)C(N)C(C)O;LEPHTVUIGNWINO-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78985;MM78985;COC(=NO)N(C)C;BNGGMOBBWBAZIH-UHFFFAOYSA-N;118.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78986;MM78986;C=C(CCC(=N)NO)OC;ZFMVBVHFBSDLEJ-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78987;MM78987;CC(C)(N)C(=CCF)CN;OCZMNWXVAYVHOJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78988;MM78988;COC=COCC(C)(C)N;ZMWDVTYXWGKFKB-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78989;MM78989;CON=COCC(C)(C)N;WMUNBRLEQOZWNH-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78990;MM78990;C=CC(F)CC(=O)NN;RNVLFRDCOMNHGM-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78991;MM78991;CC(CCC#N)NNC=O;KJYPTPMECDZPET-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78992;MM78992;CNC(C)C(C)OCCO;UUJSQHZQRWRJCW-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78993;MM78993;CCC(F)CC(=O)NN;WXTHZJXTXDNRBP-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78994;MM78994;C#CC(O)C=CC(F)C=O;LYJGMWFKTZUTKS-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78995;MM78995;C#CC(CF)CC(=O)NN;OVSHZJFUVNOANN-UHFFFAOYSA-N;144.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78996;MM78996;C=CC(F)C(C)(N)CCN;AZHAMPSIBNTVMI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78997;MM78997;CCC(C)(F)C(N)CCN;IQXKGZNRSLNJHA-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78998;MM78998;C=CC(C(C)O)C(C)CN;BXZJAZJEWYCUBY-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM78999;MM78999;C#CC(N)(CCC)CCN;SEDOKGMTDFHODD-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79000;MM79000;C#CC(N)C=C(C)C(C)N;SBNOHSMXEZVFNV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79001;MM79001;C=C(C#CC(=N)N)CC#N;ZYUBRTDZGBSWTA-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79002;MM79002;C=C(C)C(=C)CNC(C)C;TXIAITBGEZNNAA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79003;MM79003;C#CC(C)(O)C=NN;GRSXZKCWPLRFAE-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79004;MM79004;C#CC(O)C=NN(C)C=O;KRKXNLXEVVIWKC-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79005;MM79005;C=C(CC)CNCC(C)N;FCADGKFAELPBDF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79006;MM79006;C#CCC(N)C=C(C)CN;GLXQPDZEBQCPQV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79007;MM79007;C#CC(O)C=CC(O)C#C;SIRKDCULXSMMAW-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79008;MM79008;C=CC(CO)C(C)CN;MUKUIIPGYLJMPC-UHFFFAOYSA-N;129.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79009;MM79009;CC(C=CC(=O)CO)CF;MMABHHJEJVPBHQ-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79010;MM79010;CC(N)CC(=N)N(C)C=N;RCSCCJVCMYDUMV-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79011;MM79011;C#CC(C#C)CC(=O)NN;QVSGQKMTSFTRAQ-UHFFFAOYSA-N;136.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79012;MM79012;CCCC(N)COCCN;JZGAFIJAPZFEPM-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79013;MM79013;CC(C)(N)COC=CCO;UDKGFIPIQGVIGZ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79014;MM79014;CC(O)CC(CN)CCF;XTBKEPYZINBZFJ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79015;MM79015;C=NN=CC(=C)C(=O)NN;ISLZOJFVFVHPKK-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79016;MM79016;CNCC(C)(CF)CCO;XJJVDWCGUMAMAZ-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79017;MM79017;C#CC(O)C=NNCC=C;HVPNXIMHWARDEZ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79018;MM79018;CCN(N)C=NC(=O)NO;MXSIDKJIKYSDTQ-UHFFFAOYSA-N;146.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79019;MM79019;N#CC=CCC(=N)NC=N;JYMDNUDFINIOMP-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79020;MM79020;CCN(O)C=NC(=O)OC;JECPEWKKTVFOCN-UHFFFAOYSA-N;146.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79021;MM79021;C=NN=CCCC(=O)NN;FRUXVNVOZSXMFP-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79022;MM79022;C=CC(=COC)C(=O)NN;IBSATAZIJYLFKK-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79023;MM79023;C=CCC(N)C#CCCN;XNQKTCFTMAGKLG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79024;MM79024;CCOC(C)C(N)CNC;GQGHGECLNKEWKJ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79025;MM79025;C=C(CC#CCN)C(C)N;CXFWLYZJGMEDFM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79026;MM79026;CC(F)C(C)CC(=O)NN;ZYHQEBMUMAHFKY-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79027;MM79027;CCNC(CCN)C(C)F;ZOBYUTYNKIOYQX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79028;MM79028;C=C(C#N)C=CC(O)CO;UCPCXJKFINOOKX-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79029;MM79029;CCC(O)C=CC(=O)C=O;PPHHNMQICKLQHF-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79030;MM79030;C=CC(C)(NC)C(C)NC;JKSXVYBYGDKBRQ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79031;MM79031;CCC(C)(CN)CCCF;HSWQAZVZORFRKV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79032;MM79032;C=CC(C)NCC(N)CC;VBQAEYLUACZCOR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79033;MM79033;COC(C)C=CC(=O)C#N;JUOFKSZOWRBFRO-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79034;MM79034;C=C(CN)CNC(C)CC;UENNUWUVYAUGKB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79035;MM79035;NCC(CCO)CCF;YCEQUOYYFMDXTH-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79036;MM79036;CC(C)(CF)CC(=O)NN;YOMJYPGLFWYQSF-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79037;MM79037;CCN(O)C=NC(=O)C#N;LYTOVBCTVUTMET-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79038;MM79038;C=CC(=CC(=C)CN)CN;ULXATXZOEGYNFS-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79039;MM79039;CON(C)C=NC(=O)C#N;CWOKDBLCTQXIEU-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79040;MM79040;CCC(F)CNCCCN;FUKGRSSZYDLBCH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79041;MM79041;C#CC(=C)C=CC(O)CF;UCANMROGURQYJD-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79042;MM79042;C#CC(=O)C=CC(O)CF;FCHQMGLOLOUJEM-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79043;MM79043;C#CC(=O)C=CC(F)CO;FABRYJIZDCPNSY-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79044;MM79044;C#CC(C)CC(=O)NN;IXSFJACODUEQHV-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79045;MM79045;C=CC(N)CNCCCF;MXOAZHIWVJIXEA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79046;MM79046;CC(C)C(CN)CCO;ATHFLBKHNHAITG-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79047;MM79047;NCC(CC=CF)CCO;DEBQQEIUODICCA-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79048;MM79048;COC(C)(C)CC(=O)NN;DSGYSRNPYRYLLP-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79049;MM79049;CNC=NC=CC(=O)OC;YMGZVRNKXUMOLV-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79050;MM79050;C=CC(C)C=CC(=O)CO;XZRZBPWEJXTCFT-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79051;MM79051;CNN=CC(O)CF;BEPSTDHWEWEMJF-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79052;MM79052;C=CC=NNC(=N)NC;MLEGCDKZVKXZJE-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79053;MM79053;C=C(C=CC(O)C#N)CO;ABZCEKNFHCHMJC-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79054;MM79054;CCC(=O)C=CC(O)C#N;NDXUGNGANRGWIA-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79055;MM79055;N#CC(F)C=CC(=O)CO;QCCWFLMNUXKGJZ-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79056;MM79056;COC=CC=CN(N)C=N;HDSKSSLSDRRNPD-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79057;MM79057;CCC(=O)NN;DXGIRFAFSFKYCF-UHFFFAOYSA-N;88.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79058;MM79058;C#CCC(C)=NNC(=N)N;YLTOPHUQMKKCPW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79059;MM79059;CCCC(CN)C(N)CF;ATMJZKOKWLANLE-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79060;MM79060;CC(C)C(=O)NN;PLNNJQXIITYYTN-UHFFFAOYSA-N;102.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79061;MM79061;C=CC(=C)C(=CCN)CN;GCMCFFUENJYLBD-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79062;MM79062;C=CC(=CCN)C(=C)CN;BNMXKFZCDULHQE-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79063;MM79063;C=CCCC(=O)NN;OJZGZEFTNZHDCD-UHFFFAOYSA-N;114.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79064;MM79064;CNN=C(C(=N)N)N(C)N;BSNGRYOUWSJZNZ-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79065;MM79065;CCNCC(CCF)NC;WQEBWMQCNKEQNJ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79066;MM79066;C=CN(C=N)CC(=O)CC;AYTIPEFIULCYFG-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79067;MM79067;CNC(C=CCN)CCF;QGZIHSFHNDPGSG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79068;MM79068;CCN=C(CC)NNC=N;AQXGKJSLZSLNRR-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79069;MM79069;C#CC=C(C=CCN)CN;SDZFSTUOIPKOBL-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79070;MM79070;C#CC#CC(O)CC=NN;QCSQMYKGQXVSBW-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79071;MM79071;C=CCCN(C=N)C(C)=N;POIFZFVXEUVODS-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79072;MM79072;C=CC(C=C)C(C=C)NC;MHBUWYAUILIBTB-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79073;MM79073;C=NOCCC(=NC)NN;ROESHWKRZCRTHJ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79074;MM79074;C=CC(C)CC(=O)NN;BNGLQBAXOBADAZ-UHFFFAOYSA-N;128.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79075;MM79075;C=C(C)CCC(=O)NN;DJTWMGQGQZPLJJ-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79076;MM79076;C=CCCCC(=O)NN;JQYPHLJCOVCYKR-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79077;MM79077;CC(C)CC(=O)NN;OQNKZWDYYSHLPO-UHFFFAOYSA-N;116.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79078;MM79078;CCCCC(=O)NN;PJBQYCIDGYKEMN-UHFFFAOYSA-N;116.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79079;MM79079;C=NOC(C)(C#N)C(C)O;JXIXXQZVYYDCRI-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79080;MM79080;CC(C)C(C)CC(=O)NN;IJDDYAIUJNTTNT-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79081;MM79081;COC(=NC=NC=N)NO;OZOZVJMPGOAFDT-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79082;MM79082;NCC=CCC(=CF)CN;RCJVMUDXCRTPDJ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79083;MM79083;CC=NNC(=N)C(=O)NC;UWPBQYZIDDBFPJ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79084;MM79084;CC#CCONC(=N)NN;ZMCVTPIQXHJOPR-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79085;MM79085;NN(C=O)C=NC(=O)NO;FKUVEYZYDFNNDL-UHFFFAOYSA-N;146.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79086;MM79086;N#CCC(=CF)NC(=N)N;OYLCESDFLFSWAH-UHFFFAOYSA-N;142.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79087;MM79087;C#CCC(=CC#N)NC=N;MFRFCXAFYXCZGP-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79088;MM79088;COC(=O)C(=N)N=CNO;DXQPTKKPUKZGSJ-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79089;MM79089;C=NNC(=N)CCCCN;ROJWNBQRARLATM-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79090;MM79090;NCC=CC=C(CN)CF;WIHMXJBSOLTACZ-UHFFFAOYSA-N;144.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79091;MM79091;CCC(OC)C(N)CNC;FMOQIBFPYLMFDD-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79092;MM79092;C=CC(C=C)C(=C)CNC;VQIDVXXDHOXWBK-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79093;MM79093;C=CC(C=C)=C(C)CNC;LZOQMDSCEUWASU-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79094;MM79094;COC(CC=CCN)=NO;XDKVMOPXJDWNOL-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79095;MM79095;CCC(C)(C)CN;PZVPOYBHOPRJNP-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79096;MM79096;C=NN(C)C=NC(=O)NN;DRYORRDLZCZMSJ-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79097;MM79097;C=NN(C)C=NC(=O)NO;OPACNZAQKLDPQV-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79098;MM79098;CN(C=O)N=CC(=O)CF;LJMIEXQADGJOPF-UHFFFAOYSA-N;146.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79099;MM79099;C#CC(OC=C)ON=C;MLRHLPHPNRZBLJ-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79100;MM79100;CCN(CCO)N=CCF;CYCVCZONNIOJCI-UHFFFAOYSA-N;148.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79101;MM79101;CNC1(CN)CC1;URIMBVCIVIKPKI-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79102;MM79102;C=CC(C)C=CC(=O)C=O;PHCSYRSPTGXHIU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79103;MM79103;C=C(C=O)C=CC(O)C=O;FJTQIHSDUQAHAQ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79104;MM79104;C=CC(O)C=CC(=O)C=O;BQDNTVGMXZSVLU-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79105;MM79105;C=CC(=O)C=CC(O)C=O;QZUKGBBBCQUXFL-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79106;MM79106;C=CC(=O)C=CC(O)C#N;JGFVODUNMONOBY-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79107;MM79107;O=CC(=O)C=CC(O)C=O;QVFAXJBUGVNDDK-UHFFFAOYSA-N;142.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79108;MM79108;NCCC(=CC=NO)CF;FDUBIIKIGBQDGH-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79109;MM79109;C=C(C#N)C=CN(O)C=O;MWLUVOGKVPYUIH-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79110;MM79110;CNN=C(C=CCO)OC;SUWZZNZXECEOEJ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79111;MM79111;C=CC(=O)C=CN(O)C=O;IXBIZSFTGRZAMK-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79112;MM79112;C=C(CN)C(C)(C)N;MJYVFZRNEWEEIC-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79113;MM79113;CC(C)(CN)CCF;RSTMXEXDZQLYFW-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79114;MM79114;N=C(N)C(N)C(F)F;MEHZBTFWZNFXOA-UHFFFAOYSA-N;123.11;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79115;MM79115;C#CC(C)(CC)CN;IHBIFKAVXWSSFI-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79116;MM79116;C=CC(=CCN)CN;JIUFTCHKGPQHPD-UHFFFAOYSA-N;112.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79117;MM79117;CNCC#CCCN;KGEPNNMHHYLVPE-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79118;MM79118;CC(C)(CN)CC(F)F;CZSHMUXSQWUCMB-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79119;MM79119;CC(F)C(C)(N)CCN;NSTNMMKZYJKRGO-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79120;MM79120;CC(N)C=CCN(C)C;PSDOFIPAJZQGJR-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79121;MM79121;CC(C)(CN)CCCF;NMTUSGKLCVACMK-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79122;MM79122;C#CC(C)(CF)CNC;CNZQJFCZWDGRMV-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79123;MM79123;CN(C=O)C=NC(=O)C=O;ISZHNQUJGBITEZ-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79124;MM79124;CN(C=O)C=NC(=O)C#N;BMDMJGAUGKGXND-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79125;MM79125;C=CC(=O)CC(C)NC;JRGRLSNWZYDHQD-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79126;MM79126;C=CC(=C)CNC(C)C;UWZSDOJPUPAPFM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79127;MM79127;CCNC(=O)NC(=N)N;WQTURFBDCKOMIB-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79128;MM79128;C#CC(=N)N(C)CCF;WMLYIGSNZHBVFJ-UHFFFAOYSA-N;128.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79129;MM79129;C=C(CN)C(C)=CCN;NXVXITSCKSMABU-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79130;MM79130;CC=CC(=CCN)CN;BVJXHYAYUWXMLZ-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79131;MM79131;NCC=C(C=CF)CN;UPYCETMYTPOTSV-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79132;MM79132;C=C(C)C(=CCN)CN;QFJRHDIMULNMNZ-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79133;MM79133;C=CCCN(C=N)NC;SQCSGYKWQJLPJC-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79134;MM79134;CN(C=O)N=CC(=O)C#N;YKJLGXBYJZVQOP-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15689;MM15689;C#CC(=O)C=CC(F)C=O;RUWJZVZRXQYCKZ-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79135;MM79135;C=COCON=CCCO;PPPBKXRGLPZLLP-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79136;MM79136;CN=C(C=CCF)NN;VRYMRUNFXFFEAZ-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79137;MM79137;C#CC(=O)C=CN(O)C=O;RKQMKWXDYWDLEP-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79138;MM79138;C#CC(C=NOC)CCO;LDIUETYSSATAPD-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79139;MM79139;C=CCCNCCNC;ACJKYPLQLRKSMD-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79140;MM79140;CC(C)=CC(N)C(C)(C)N;FZERIJLAKOOTKF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79141;MM79141;CCN(C=NC=O)CC=O;PWGGRNXGARLKHM-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79142;MM79142;C#CC(=O)N=CN(C)C=O;AWROXBLKNJPZTN-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79143;MM79143;CNCC(C)(N)C(C)(C)F;BDEXVQBWYIBIQK-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79144;MM79144;CCC(F)C(C)(N)CCN;SYVKVRLGHGTACB-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79145;MM79145;CCOC(C)(C)C(=N)NN;PIWVUYVPGDIXPT-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79146;MM79146;N=CN=CNN=CC=O;NXMAYEXZAXUXEI-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79147;MM79147;C#CC=NNC(C)C=O;ZAVYCOXEGLHTMU-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79148;MM79148;C=C(NC=NC)C(O)C#N;WDSRCVMIAHZYPV-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79149;MM79149;C=NNC=NC(CF)=NN;MSOADEUSAWRBNY-UHFFFAOYSA-N;145.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79150;MM79150;CCC(C)(N)CNCCF;YOHQFEUANKKVMK-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79151;MM79151;C=NNC(=NNC)ON=C;BPYNFBRWSWVECX-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79152;MM79152;C=NNCCC(C)(C)CN;WTZKHBAFUUQEEW-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79153;MM79153;C=CCC(N)(CF)CCN;NXBZDIWOGILCQP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79154;MM79154;C#CC(O)C=CC(=O)CF;WJEKLDGTNYRMSN-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79155;MM79155;C#CC(F)C=CC(=O)CO;BWUQDTWHLNAOKY-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79156;MM79156;C#CC(O)C(C)C(C)CN;DKRGZGCPFXRRHM-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79157;MM79157;C#CC(C)C=CC(=O)NO;TVTBQZQVARWQAB-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79158;MM79158;C#CCOC(=O)C(N)=NN;BZRSSQUSALGTRU-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79159;MM79159;C#CC(=O)C=CC(O)C#C;LGGIJJDVPXSUJW-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79160;MM79160;C#CC(C)(CCN)NCC;IWPASOALNQSZGO-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79161;MM79161;C#CC(C)(O)CC(C)CN;SCBHLNGEHJTULG-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79162;MM79162;CCCOC=NNC;CIKTXJCKFVDPRM-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79163;MM79163;C=C(C#N)C=CC(=O)CO;VNVTVZQRPJJWDJ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79164;MM79164;CNCCC(O)C#CCF;BBSHZDBVJINYHS-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79165;MM79165;C=C(C#N)C=CC(=O)NO;HEGCIGRLVVQALI-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79166;MM79166;C#CC(=C)C=CC(=O)NO;DTILKVNHGYFTFK-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79167;MM79167;N#CC(=O)C=CC(=O)C#N;WLCMGJPPJICQQO-UHFFFAOYSA-N;134.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79168;MM79168;C#CC(=O)C=CC(=O)C#N;QIXZWMJCCNTPGD-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79169;MM79169;C#CC(O)CC(C)CN;ZNPNGUWGOOMQPE-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79170;MM79170;C=CC(N)(C=CF)CCN;FGKKDOXEEQDETE-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79171;MM79171;CCN(O)C=NC(C)=NO;FLAIUYKOWIXDKK-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79172;MM79172;CON(C)C=NC(C)=NO;JNAPNLOGRBKLGI-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79173;MM79173;CC(C=CN(C)C=O)=NO;CGTRVIJCCXTEQO-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79174;MM79174;CC(C=CN(O)C=O)=NN;AJJVHVAKICYSIN-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79175;MM79175;C#CC(=C)CC(N)C(C)N;NMNJOHIOZAAPBJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79176;MM79176;C=C(C)C(=O)CC(C)NC;UFBZHXAXYORMIB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79177;MM79177;CNCCC#CC(F)CO;UMKSFWHWAJGAJY-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79178;MM79178;CC(=CC(N)C(C)C)CF;KVFUTDZMMRVIBI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79179;MM79179;CC=C(C)C(O)C(C)NC;LKVGOFJVJUATJE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79180;MM79180;C=C(CC)C(O)C(C)NC;TXZUTLIVRSNUOF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79181;MM79181;C=CN(O)C=NC(C)=NO;CYQDTZJSCVYJHY-UHFFFAOYSA-N;143.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79182;MM79182;CCCNN=COC;YQUZTIQLJUSISL-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79183;MM79183;COC(=O)C#CCC(C)N;AYBHUSFBFDRLAM-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79184;MM79184;C=C(C=NN)OC=NN;DJCCKMKCFDYPAT-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79185;MM79185;C=C(C)C(O)C(C)NC;KXNRVGSCKFWHGQ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79186;MM79186;CC(C=CC(=O)C=O)=NO;CVRCBSBFIOEGEJ-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79187;MM79187;C#CC(CCN)NC(C)C;NQCNEVSBWJVGQP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79188;MM79188;C=NNC(C)=C(C#N)OC;GOCKIBWQQIAHKA-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79189;MM79189;CC(C)=CC(=CCN)CN;RDWQVMWFZMSHJW-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79190;MM79190;C#CCC(N)C(C)=CCN;UYBTZOWTDLKNFE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79191;MM79191;CC(F)C(C)NCCCN;LNHLVMFIBRFMQD-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79192;MM79192;C#CCNN=CC(C)C#N;AMTUPWXOEZXQLK-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79193;MM79193;C=C(F)C(C)CNCCN;HGVRVRNPEYGPJY-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79194;MM79194;C#CCNN=CC#CC;ASRZQOFNTQUWLF-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79195;MM79195;CNC(C)(CF)C(C)CN;CSFNAKYPVMTISU-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79196;MM79196;OCC(O)C#CC(O)CO;CAPUIYPMKMKPHD-UHFFFAOYSA-N;146.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79197;MM79197;CCC(F)C#CC(O)CO;ZFYVXPSSDDWOOG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79198;MM79198;C=CC(C=C)(CN)C(C)N;HDIBJQKRBLDHOR-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79199;MM79199;CNC(C)C(O)C=CC#N;QFWWWHFYCIFTPL-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79200;MM79200;CC(C#CC(F)C=O)CO;LGNQXZAIMOKDIO-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79201;MM79201;C#CC(O)(C=NN)C(=C)C;ZMEHSHSAARJOGB-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79202;MM79202;C=CC(O)C#CC(O)CF;IKHJZVXHJICUIK-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79203;MM79203;C=CC(O)C#CC(F)CO;GYKCCRBADFVXJE-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79204;MM79204;CNC(C)CC(F)C(C)O;GZNOQZBTODGPLF-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79205;MM79205;COC(C)C#CC(O)C#N;ZBEXDNUWWRKERK-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79206;MM79206;COC(C)C=CN(N)C=N;HGIVATMGONKVTM-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79207;MM79207;C#CC(O)C#CC(C)CO;WETCIVHILQXSHS-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79208;MM79208;CC=NN(C)C=NCC#N;XTLVJVQOAOCBDJ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79209;MM79209;C=C(C=CC(=C)CN)CN;RTBWLCWYZOSQOF-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79210;MM79210;C#CC(C)C#CC(O)CO;DYFXBLOBCGXRQJ-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79211;MM79211;C#CC=CC(O)C(C)NC;XETCBMWDUKVMHG-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79212;MM79212;C#CC(O)C#CC(O)CC;HINXZJWGZFHCJM-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79213;MM79213;CNC(C)C(O)C=C(C)C;SVOWHUVBMUCWGT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79214;MM79214;C#CC(O)C#CC(F)CO;UFODEBAWPVIGQG-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79215;MM79215;C#CC(O)C#CC(F)CF;LCVFVCWDGKMMEL-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79216;MM79216;C=CC(O)C(C)NC;WZAVYHKCQFHNPT-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79217;MM79217;C#CC(O)C#CC(C)OC;LAAWDWTWWGFDQO-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79218;MM79218;CC(C#N)C#CC(O)C#N;WZTAHMVOOJCZJM-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79219;MM79219;C=CC(O)C#CC(O)C=C;SRRXMQPHRGZCTN-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79220;MM79220;N#CC(O)C#CC(O)C#N;WNQHNSVHWZHMJC-UHFFFAOYSA-N;136.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79221;MM79221;N#CC(O)C#CC(F)C#N;BXZDQNGIKXRRRA-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15610;MM15610;N#CC(F)C#CC(F)C=O;PMULMAGHSDQTGA-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79222;MM79222;C#CC(O)C#CC(C)C=O;GOGSYCRFAVQUBO-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79223;MM79223;CCC(N)C(C)N(C)CC;QSJLBMKFLRVYLO-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79224;MM79224;C#CC(=CCF)C(=O)NN;HWQJMIJYRREQPK-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79225;MM79225;C#CC(C)C#CC(O)C=O;YAOAZXAFXNACJV-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79226;MM79226;C=C(CC(C)CN)NC=O;KSELDNFSFRYVIP-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79227;MM79227;C#CC(O)C#CC(O)C=C;XGADLPQOLHTZLV-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79228;MM79228;C#CC(O)C#CC(O)C=O;XSZPSDOPISUAGC-UHFFFAOYSA-N;138.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79229;MM79229;C#CC(O)C#CC(F)C#N;QSTVDZDOSRLOKV-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79230;MM79230;CNC(C)CC(F)CO;DFTQALDXHSFEON-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79231;MM79231;C#CC(O)C#CC(O)C#C;LDLUPAHOKLTPSR-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79232;MM79232;C=CC(C)(O)CC(C)CN;JXNCUZMRTVDHEC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79233;MM79233;C#CC(=C)C(=O)NN;WUPFIWVIFNWGEC-UHFFFAOYSA-N;110.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79234;MM79234;C=C(C#CC(C)CO)CO;HPQDCZIBZRQVKX-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79235;MM79235;CC(C#CC(=O)CO)CF;UBLQMVJHDKFJHZ-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79236;MM79236;CC(C)=C(F)CC(=O)NN;QRZVNIAJIWAAAX-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79237;MM79237;C=C(C#CC(O)CC)CO;VOJWPYCBMIXUDC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79238;MM79238;CCC(=O)C#CC(O)CF;YHIXPWWUHNVRFV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79239;MM79239;CCC(F)C#CC(=O)CO;YMXKKMLFFBWEEH-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79240;MM79240;CNCC(O)CC(C)F;LBFJNUOMGXHTPU-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79241;MM79241;C=CC#CC(=C)C(=O)NN;HRTIOXDIYDXTOY-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79242;MM79242;CC(C#CC(=O)NN)CF;SUXQWOVMWJNQFP-UHFFFAOYSA-N;144.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79243;MM79243;CC(C#CC(=O)NO)CF;QKOQNFMTRPYOTM-UHFFFAOYSA-N;145.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79244;MM79244;C#CC(C)C(N)C=CCN;BKGNOFGGMKQPRQ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79245;MM79245;CNNC(=NC(C)C)NO;DZHBVZMQYGXYAU-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79246;MM79246;CC(F)C(C)C(=O)NN;PLPACWHIYBCROM-UHFFFAOYSA-N;134.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79247;MM79247;N#CCCNNC(=N)NO;SFNJXKUMFBRIIH-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79248;MM79248;C=C(C#CC(O)CF)OC;HHNGHPPHHZKGSR-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79249;MM79249;CCC(O)C#CC(=O)OC;GMESNUCOCRRYJV-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79250;MM79250;COC(=O)C#CC(F)CO;CWTLDOIAELRRIK-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79251;MM79251;C=C(C=CCN)C(=C)CN;LFZBRSGPJYPCQQ-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79252;MM79252;C#CC(C)(C)NC(=N)NO;CIPULDDGBYHMCW-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79253;MM79253;C=CC(=C)C#CC(O)CO;IBESHXIWRWPTCD-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79254;MM79254;C=C(C#CC(O)CF)C=O;SUVIKUPRTVXTOS-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79255;MM79255;C=C(C#N)C#CC(O)CF;ALYNRPBHVIDZJW-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79256;MM79256;CCC(O)C#CC(=O)C#N;WIGQPBJBMGCIMS-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79257;MM79257;C=CC(=O)C#CC(O)CF;NKLXEVSCSLAQCO-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79258;MM79258;C=CC(=O)C#CC(F)CO;KVLDQFSKHPUMQA-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79259;MM79259;O=CC(=O)C#CC(F)CO;ACYMAXSBXDWGAR-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79260;MM79260;N#CC(=O)C#CC(F)CO;LOXCKTFXIHJFAJ-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79261;MM79261;CCNCC(C)=C(C)CF;ATWYUJXNXUBAAR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79262;MM79262;C=CC(=CC#N)N(C)C=N;FPQPFOLPZVOCLS-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79263;MM79263;C=C(CC)C(=CCN)CN;GNUDPNABHFWSGO-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79264;MM79264;COC(C)C#CC(=O)C#N;ZCGLDZAQULBKEQ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79265;MM79265;C#CC(=O)C#CC(C)CO;POKDDGJHVCJKRX-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79266;MM79266;CC(C=CF)C(=O)NN;OMFOFVBZXSJHRX-UHFFFAOYSA-N;132.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79267;MM79267;C#CCCC(O)CNC;WEJBAIBYLKPFGL-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79268;MM79268;C#CC(=C)C#CC(O)CO;CHBLGPXGEBSWCE-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79269;MM79269;C#CC(=O)C#CC(O)CC;YXVXLRFLYKHIAI-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79270;MM79270;C#CC(=O)C#CC(F)CO;XRDKUTAGFXIXOM-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79271;MM79271;C=CC(C)C#CC(=O)CO;WARIRHXRCKARBG-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79272;MM79272;C=CCCC(O)CNC;NMSFGMRSYVKVKS-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79273;MM79273;C=NN=C(C)CC(=O)NN;GNKRABVIUROPPW-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79274;MM79274;C=CC(O)C#CC(=C)CO;CCVQAASFBXYETG-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79275;MM79275;C=C(C#CC(O)C#N)CF;FQAYHTOSYMEEHJ-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79276;MM79276;C=CC(O)C#CC(=O)CF;SYWDOKOEHLPXFK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79277;MM79277;CCC(=O)C#CC(O)C#N;PIEHYRSYOLWWNK-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79278;MM79278;O=CC(O)C#CC(=O)CO;LUSGXBMKNOQVRU-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79279;MM79279;N#CC(O)C#CC(=O)CF;YRRXVLXSFCRNNY-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79280;MM79280;C=C(C#CC(F)C=O)CO;IJOVUECGWGPHRE-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79281;MM79281;C=CC(F)C#CC(=O)CO;MDSKRYLSCGAZKH-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79282;MM79282;N#CC(F)C#CC(=O)CO;NYAGQWLHYVIXOG-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79283;MM79283;NNC(=O)CC=CCF;VJWOVLKHHAOPRZ-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79284;MM79284;CCC(=CF)CC(=O)NN;KEEXEFKNFPVYDZ-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79285;MM79285;CNC(=O)C#CC(C)C#N;MMDKRGWMIULJIN-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79286;MM79286;CNCC(O)CCC(C)F;IVWKXSQTWQHOGR-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79287;MM79287;N#CC(O)C#CC(=O)NO;WERSTZQJWIXZFZ-UHFFFAOYSA-N;140.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79288;MM79288;C=C(C)CCC(O)CNC;JWQRKZFBNURNHN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79289;MM79289;NC(C#CC(F)C=O)=NO;ZJENCESXRFBODB-UHFFFAOYSA-N;144.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79290;MM79290;COC(=O)C#CC(C)C=O;SLCYFUOFQDPJBF-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79291;MM79291;C=C(C#CC(O)C=O)OC;ZQJISOLOHCFDOT-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79292;MM79292;C=C(C#CC(O)C#N)OC;IANUOIMTFFJEFP-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79293;MM79293;C=CC(O)C#CC(=O)OC;BUAYJVSQLLEYOE-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02345;MM02345;COC(=O)C#CC(F)C=O;NHLUAUHOZXTDNG-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79294;MM79294;C=C(C#CC(O)C#N)C=O;NJNAIIXZYINQQK-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79295;MM79295;C=CC(O)C#CC(=O)C=O;FTIUXNDZQAXUIB-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79296;MM79296;C=CC(O)C#CC(=O)C#N;RBJLCVRGMKEMNI-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79297;MM79297;C=CC(=O)C#CC(O)C#N;AXCWSKVDRZBZPO-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79298;MM79298;N#CC(O)C#CC(=O)C=O;MBCJZERCKVAYSS-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79299;MM79299;N#CC(=O)C#CC(O)C#N;JSKFJSVUFPUZKJ-UHFFFAOYSA-N;134.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15783;MM15783;C=C(C#CC(F)C=O)C=O;HYRLSSNPTWTIOO-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15611;MM15611;N#CC(=O)C#CC(F)C=O;KVWPYFVBGHDIGA-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79300;MM79300;C#CC(=O)C#CC(C)C=O;RDECKZFCNWHXGW-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79301;MM79301;C#CC(=O)C#CC(O)C=C;JRQIFERABXDNRR-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79302;MM79302;C#CC(=O)C#CC(O)C#N;SNIOMQDCNDRIMZ-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15615;MM15615;C#CC(=O)C#CC(F)C=O;ZMZJEQRBZRFEAT-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79303;MM79303;CNCC(O)CC(C)CF;DSLPGLKFHIKRKJ-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79304;MM79304;C#CCC(=C)CC(=O)NN;SEDZYKASDDKMCJ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79305;MM79305;C#CC(F)C#CC(=O)CO;WKGRZPUQJGUIGT-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79306;MM79306;CC(=CF)C(=CCN)CN;ZWOYVCXHRKWJOI-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79307;MM79307;CNCC(O)CCCCF;AEHJFXNHGDHIQA-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79308;MM79308;C#CCC(C)C(=O)NN;OMUJVCXYACMKEO-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79309;MM79309;CCOC=CCC(=O)NN;HJLHQZHDDQDORY-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79310;MM79310;C#CC(O)C#CC(=O)NO;HGPOOLGMUMGCTJ-UHFFFAOYSA-N;139.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79311;MM79311;C#CC(F)C#CC(=O)NN;NAFXNTVROPCRLN-UHFFFAOYSA-N;140.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79312;MM79312;CC=CC(CN)=C(C)CN;RYBWIZMCAJRLGK-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79313;MM79313;CC(CN)=C(C=CF)CN;GGIQXJRYHIEQMO-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79314;MM79314;C#CC(C)C#CC(=O)C=O;SGROTCDSOGYTSF-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79315;MM79315;C#CC(O)C#CC(=C)C=O;ZWWBNSIWPHHLDT-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79316;MM79316;C#CC(O)C#CC(=O)C#N;XEYYQGIYXRRCCI-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79317;MM79317;C#CC(=O)C#CC(O)C#C;ZTGRLIZJURZBCP-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79318;MM79318;C=C(C#CC(=C)CO)CO;NNNOCJWCNVXUMZ-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79319;MM79319;C=C(C#CC(=O)CO)CC;YLVGYJWLOQMKFM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79320;MM79320;C=C(C#CC(=O)CF)CO;WGKUAIVALXOKBP-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15573;MM15573;O=C(C#CC(=O)CF)CF;HEWZQKAZPNJIDF-UHFFFAOYSA-N;146.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79321;MM79321;CNCC(CCOC)NC;BSOPTEOHGFPONS-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79322;MM79322;CCC(O)CNC;RDTCWQXQLWFJGY-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79323;MM79323;CCC=CC(=CCN)CN;FEYWMEHZWXQFNZ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79324;MM79324;C=CCC(=O)NN;WFKVRCILUKAVTF-UHFFFAOYSA-N;100.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79325;MM79325;C=C(C#CC(=O)NC)CF;AGARQMNSJTXJLI-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79326;MM79326;C=C(C#CC(=O)NN)CF;PSRZSGQRHKRXSJ-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79327;MM79327;C=C(C#CC(=O)NO)CF;LPESHHPXAOSTQN-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79328;MM79328;NC(C#CC(=O)CF)=NO;UIQROHRAZXMKJH-UHFFFAOYSA-N;144.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79329;MM79329;C=CC=CC(=CCN)CN;BUYKBZJRQFUOHM-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79330;MM79330;C=C(C#CC(=O)OC)CO;SZKIQJMMIJLMNJ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79331;MM79331;O=C(C#CC(=O)NO)NO;ZFSBEACNOVUTJN-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79332;MM79332;C#CC=CC(=CCN)CN;MGWBXYPYPRPPML-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79333;MM79333;C=C(C)C(CN)=C(C)CN;DQKLHLSAFBENKT-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79334;MM79334;CC(C)=C(C=CCN)CN;YVRIZVJTTFNPEH-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79335;MM79335;C=C(C#CC(=O)NC)OC;UAYOOWKBYKOGFJ-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79336;MM79336;C=C(C#CC(=O)NN)OC;FJMQLAVEXOPROX-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79337;MM79337;C=C(C#CC(=O)NO)OC;JUSQOVSAHJDOKV-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79338;MM79338;COC(=O)C#CC(=O)OC;VHILMKFSCRWWIJ-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79339;MM79339;C=C(C#CC(=O)C=O)CO;ONOIESZPIXFQTF-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79340;MM79340;C=C(C#CC(=O)C#N)CF;CAEHUEHKLWTGND-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79341;MM79341;C=CC(=C)C#CC(=O)CO;UQQBPESWCUSJOI-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79342;MM79342;C=C(C#CC(=O)CO)C=O;QZVKPKUQKDVULP-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79343;MM79343;C=C(C#N)C#CC(=O)CO;NMRSSJOUGHCBNC-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79344;MM79344;C=C(C#N)C#CC(=O)CF;LXPMCZWDSKJYCM-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79345;MM79345;O=CC(=O)C#CC(=O)CO;QNMGESZYXBTJCK-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79346;MM79346;C=CC(CN)=C(CC)CN;MJQMUOAQJKDHLJ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79347;MM79347;C#CC(CC)CNCCN;NPTAACTXUWSLIO-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79348;MM79348;CNC(CO)CC=CF;JRSIUHYNVHWHJZ-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79349;MM79349;CNC(CO)CC=COC;IWBYIRLQOXUQOM-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79350;MM79350;CC(C)(C)CN;XDIAMRVROCPPBK-UHFFFAOYSA-N;87.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79351;MM79351;C=CC(=O)C#CC(N)=NO;CFTCLDCJWTUMCQ-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79352;MM79352;NC(C#CC(=O)C=O)=NO;GKLUEURCHNEEBA-UHFFFAOYSA-N;140.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79353;MM79353;N#CC(=O)C#CC(N)=NO;MJGWRJQXLZHAPN-UHFFFAOYSA-N;137.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79354;MM79354;C=C(C#CC(=O)NC)C=O;QLMIUXGPWBCKGU-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79355;MM79355;C=C(C#N)C#CC(=O)NO;IQMBYLNDSMXUPX-UHFFFAOYSA-N;136.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79356;MM79356;C=CC(=O)C#CC(=O)NC;DNOYIZJPHONVGO-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79357;MM79357;CNC(=O)C#CC(=O)C=O;LWCTZCLJQDXZLR-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79358;MM79358;CNC(=O)C#CC(=O)C#N;MSZOENCONLRLHW-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79359;MM79359;N#CC(=O)C#CC(=O)NO;INQVCBCOGSVSHE-UHFFFAOYSA-N;138.08;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79360;MM79360;C=C(C#CC(=O)OC)C=O;WGNDWTZVKXNEEX-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79361;MM79361;C=CC(=O)C#CC(=O)OC;GOBHJTZXFCXTNN-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79362;MM79362;COC(=O)C#CC(=O)C#N;BPFVHRZQEIJNBV-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79363;MM79363;C#CC(=O)C#CC(=O)CF;AJIAHVMAHGQIJV-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79364;MM79364;COCC(C)(C)N;CMZQPQQRGBOLHN-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79365;MM79365;C=CC(C)C(=O)NN;GCVYRWRVYUTERF-UHFFFAOYSA-N;114.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79366;MM79366;C#CC(=C)C#CC(=O)NN;ZXYKWFYWUUAGHM-UHFFFAOYSA-N;134.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79367;MM79367;C#CC(=C)C#CC(=O)NO;PPZCOICBXSWKDG-UHFFFAOYSA-N;135.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79368;MM79368;C#CC(=O)C#CC(=O)OC;CMFTWIHIXFLIRX-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79369;MM79369;C=CC(=O)C#CC(=O)C#N;NSPCLXXHEQCICZ-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79370;MM79370;O=CC(=O)C#CC(=O)C=O;PCNZPEWBUJVNJM-UHFFFAOYSA-N;138.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79371;MM79371;N#CC(=O)C#CC(=O)C=O;UJRHQYHQPQKMAF-UHFFFAOYSA-N;135.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79372;MM79372;N#CC(=O)C#CC(=O)C#N;KUBQVZWERGLXSK-UHFFFAOYSA-N;132.08;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79373;MM79373;C#CC(=O)C#CC(=C)C=O;HVRALYCKLINEKV-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79374;MM79374;C#CC(=O)C#CC(=O)C=O;YLTVLVBSQNDVBU-UHFFFAOYSA-N;134.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79375;MM79375;C#CC(=O)C#CC(=O)C#N;OGLAIAFVEJDVAH-UHFFFAOYSA-N;131.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79376;MM79376;C#CC(C)(C)CN;PCALDSSOWAKEOT-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79377;MM79377;C=C(C)CC(=O)NN;PHVGKKKPJLDWGW-UHFFFAOYSA-N;114.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79378;MM79378;CC=CCC(=O)NN;XZDJXZJOZSEZBZ-UHFFFAOYSA-N;114.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79379;MM79379;OCC(O)C#CC(F)=CF;TYAMFMDNDOWZDR-UHFFFAOYSA-N;148.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79380;MM79380;CC(O)C(C)C(C)CN;MJNPCOMAJHGRSH-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79381;MM79381;C=CC(N)C(C)(C)N;DSMZMGIRXYCHAE-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79382;MM79382;CC(C#CC(O)C=O)=CF;ZNDULFJWCGOPPB-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79383;MM79383;C=C(C)C(C)C(=O)NN;YSGBIWHMDNZOMY-UHFFFAOYSA-N;128.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79384;MM79384;C=CC(O)C#CC(C)=NO;LPIJKGRNQPKPHQ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79385;MM79385;CC(C#CC(F)C#N)=NO;OEVPVEOPMLSLKP-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79386;MM79386;CC=C(C)CC(=O)NN;CAIDUXQQJKUUII-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79387;MM79387;CC(C#CC(=O)CO)=CF;JZIWINWFVZKNCJ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79388;MM79388;CC(CN)C(CO)CCF;MZHIAXUDRYCYOY-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79389;MM79389;C=C(C#CC(C)=NO)CO;VGYMEVAWPMJKTQ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79390;MM79390;CNC(CN)CCF;FQCUXWABAOKUAX-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79391;MM79391;C=CCC(C)C(=O)NN;YNPIRCMXCSHHFQ-UHFFFAOYSA-N;128.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79392;MM79392;CCNCCNCC;CJKRXEBLWJVYJD-UHFFFAOYSA-N;116.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79393;MM79393;CC(C#CC(=O)NN)=CF;ZOIPJIOQZKKJSN-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79394;MM79394;CC(C#CC(=O)NO)=CF;LXRHIWQXHWXKHV-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79395;MM79395;CNC(=O)C#CC(F)=CF;OLNLWOUOQUIDDW-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79396;MM79396;NNC(=O)C#CC(F)=CF;NWKQXBNUMXATFH-UHFFFAOYSA-N;146.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79397;MM79397;C#CCNCCCN;ODHNWDKVMONLQJ-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79398;MM79398;C=C(C#CC(C)=NO)C=O;USDFCTIMWMGHIA-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79399;MM79399;C#CC(=O)C#CC(C)=NO;KCEDJZOKVHICQY-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79400;MM79400;CC(C#CC(C)=NO)=NN;AQRZXCFFNFLDLG-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79401;MM79401;CC(C#CC(C)=NO)=NO;NUEIJHKYKZGFOQ-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79402;MM79402;C=C(C)C(N)C(C)(C)N;UDGURCDQSBCKAT-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79403;MM79403;C#CCOCC(C)(C)N;WPVAZAPQCRRDPO-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79404;MM79404;COC(C)=CCC(O)CO;HQSGACRXFGIBAA-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79405;MM79405;C=CCCNCCO;LXZCETCVOKUOGH-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79406;MM79406;C#CC(C)(N)C(C)CN;JGONXLKRBIWIMF-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79407;MM79407;COC(C)(C)C(=N)NN;STZMYRDROZGLHI-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79408;MM79408;CCC(N)(CF)CCN;AWCHPOLARLSPLD-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79409;MM79409;CC(=N)NOC(C)CF;KNPAOFSVGBCPTO-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79410;MM79410;CCC(C)C(=O)NN;XZHQUWDDJFKLND-UHFFFAOYSA-N;116.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79411;MM79411;OCCNCCC=CCF;LJSXKIBOVGWOSS-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79412;MM79412;CNCCC#CC(C)F;RDSSASRXQBCVNK-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79413;MM79413;CC(C)=C(C)CC(=O)NN;OKDPPHFJDLAKMS-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79414;MM79414;CC(F)C(N)C(C)CN;AQARKEBIWNDNSL-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79415;MM79415;CNC(CCF)CC(C)O;KBRUKAPGOMQGLR-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79416;MM79416;C=C(C(=N)N)C(=O)NC;VGJLYFBKJVEVMF-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79417;MM79417;C=C(C(C)C)C(C)NC;MPNYCDIMGSLEFB-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79418;MM79418;CNC(C)C(C)=C(C)C;VWKIRRMINIMKJW-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79419;MM79419;CC(C=O)=CCC(F)CO;FUWHLZWXNNFCCM-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79420;MM79420;CC(C)C=CCC(=O)NN;PJLGOGFZFIEWGG-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79421;MM79421;COC(C)OC=C(C)C=O;HBLYIVPSGLSXJK-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79422;MM79422;C#CC(C)=CCC(O)CO;KJIHHRXQXJAMGV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79423;MM79423;C#CC(F)=CCC(O)CO;SRINJUAOULJQNZ-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79424;MM79424;CCC(CN)CCO;XRMZDFLZTLVQKQ-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79425;MM79425;C=C(C)C(N)CCCF;VFNMISVTXRYAAP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79426;MM79426;CCC(CN)CCNC=O;TZWRDYXDDOGFEW-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79427;MM79427;COC(C)=CCC(O)C=O;GNLZMPDYSMUVPP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79428;MM79428;CC(CN)CNCCF;GPAUQAFHQMABMB-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79429;MM79429;CCC(C)=CCC(=O)NN;BIQCUXHBYAJMAN-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79430;MM79430;C=CNC(=N)NN=CCN;TZJDGWDPGRQCEZ-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79431;MM79431;C=CC(O)C(F)C=NNC;YULIJIGPTRGIJI-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79432;MM79432;CC(=COC(C)C=O)CO;YMWWYXFUMUUTJY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79433;MM79433;CC(C#N)OC=C(F)CO;CRFDAFCAIOFEFQ-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79434;MM79434;CCCNCC(N)CF;IIUUWNSUXQODNF-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79435;MM79435;CNC(C)C#CCCN;CIYOAEUFIDZPHH-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79436;MM79436;CC(=CCN(O)C=O)CF;MYPAJFHUPCOYQH-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79437;MM79437;CC(C)C(C)C(=O)NN;ASMKSBCWJCEZEH-UHFFFAOYSA-N;130.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79438;MM79438;COC(C)=CCN(O)C=O;ABIMYURNJTYNAA-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79439;MM79439;CC(C#N)=CCC(O)C#N;HLRHDSCKHFKWAC-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79440;MM79440;CC(C=O)=CNC(C)C=O;HDFIJGRFJRFYMC-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79441;MM79441;C=CC(C)(N)CCC(N)=O;JVJBVBDFAUGPBQ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79442;MM79442;CCC(CC)C(=O)NN;ITUUDQHMMMKCCX-UHFFFAOYSA-N;130.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79443;MM79443;C=CC(=C)N(O)C=NOC;IDRHNWLFWQGYJJ-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79444;MM79444;CC(C#N)OC=C(F)C=O;XIPVEDLIPKZADC-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79445;MM79445;C=CC(N)C(C)CCF;YXCHDICJHFRLLA-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79446;MM79446;CC(C#N)=CNN(C)C=O;FLTTTYOHGJCXTC-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79447;MM79447;CN(C=O)NC=C(F)C#N;MTWRFRQFVYBUHC-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79448;MM79448;C#CC(C)=CCN(O)C=O;LDINSIGPKFWYLA-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79449;MM79449;C#CC(O)CC=C(C)CO;DRKYNXPKYOQTOX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79450;MM79450;CN(CC=CF)N=CCO;QSLKVXWFTGLRLO-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79451;MM79451;CC(C#N)=C(C)NCCO;BOCASQVJESAHEM-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79452;MM79452;CC=NN(CC#N)CC=O;PQSIOGMDWMBEOD-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79453;MM79453;C#CC(O)CC=C(C)C=O;SPQYRMUQUSIELB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79454;MM79454;CC=C(C)C(=N)NC=N;BERGKKWPALUBMC-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79455;MM79455;C=CC(=COC)NC=N;SJXHSCDNDREERD-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79456;MM79456;CNN=CNN=C(N)C=O;PJPFEWLDKGXWKT-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79457;MM79457;CNN=C(N)C(=O)OC;XWQZKRZANDRWJL-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79458;MM79458;C#CC(=NNC)N(C)N=C;RWLPROQZFYGXKF-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79459;MM79459;C=CC(=NCC)N(C)N;JSAQSELQAYHIBI-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79460;MM79460;COC(C)=CCC(=O)NO;MVDQJLFGWFNZSN-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79461;MM79461;CC(F)=C(CF)C(=N)N;UYVYZRZVFVGRAU-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79462;MM79462;C#CC(NC)C(C)CN;DDWDZEGKNZALRI-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79463;MM79463;C#CC(C#N)NC(C)CF;FSRUVGGCEYPXGX-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79464;MM79464;CNN=COC(C)(C)C;JJUCIUFBECAWPX-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79465;MM79465;C=NNC=CC#N;KKLBRNDMDDSFPB-UHFFFAOYSA-N;95.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79466;MM79466;COCC(F)C=NN;XGVFBCSVXZRCSR-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79467;MM79467;C=CN(N)C(=O)C=CN;LBQSLCNKJGYVOM-UHFFFAOYSA-N;127.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79468;MM79468;COC=C(C)N(C)C=NO;GPKUIVNIMYGIHZ-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79469;MM79469;CCC(C)(N)C=CC(N)=O;NDRXQGPJKODODL-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79470;MM79470;CCC(C)=CNC(=O)NO;AVZUVUTZAMFESI-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79471;MM79471;CNC(=O)NC=C(F)CO;JTWNXZPCIREKPF-UHFFFAOYSA-N;148.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79472;MM79472;C#CC#CCC(=O)NN;ZMYKZHZUHCRDFV-UHFFFAOYSA-N;122.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79473;MM79473;CNC(=O)NC=C(C)OC;DVBRXFSMUIREFQ-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79474;MM79474;NNC(=O)CC#CCF;BEYKBJWBEFHDCY-UHFFFAOYSA-N;130.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79475;MM79475;CCC(CN)CCC(N)=O;KLISFZSBQWLVNV-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79476;MM79476;C#CC(=COC)C(=O)NN;COYNJFJLNANLDK-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79477;MM79477;CCC(=O)NN=C(C)OC;JFNBCUDDOCXGAH-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79478;MM79478;C#CCC#CCC(=O)NN;LLLDKQQXQNNYGY-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79479;MM79479;C#CCC(=O)NN;YOWXOXKINQPPGB-UHFFFAOYSA-N;98.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79480;MM79480;CNC(=O)NN=C(C)CO;UVIUSHPUMHCWSP-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79481;MM79481;C=CC#CCC(=O)NN;XSUSREURWADSHF-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79482;MM79482;CC#CCC(=O)NN;FUTDXPQIFFBEPV-UHFFFAOYSA-N;112.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79483;MM79483;C=C(CO)OC=C(C)CO;GZRXERAXCMNZBI-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79484;MM79484;CC=C(C=CCN)CN;FRGHODCKTKHMFE-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79485;MM79485;COC(C)OCC(C)(C)N;WLYXAIXPRLVNPM-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79486;MM79486;C=C(CO)OC=C(C)OC;OCXOAFLMDUQIND-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79487;MM79487;COC(C)=COC(=O)CO;SKKDARMWKOHZFG-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79488;MM79488;COC(=O)OC=C(C)CO;ZGEGEABCEWTVBV-UHFFFAOYSA-N;146.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79489;MM79489;C#CC(C)NCC(C)(C)N;ZWPSPFHJADMREY-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79490;MM79490;CC(CO)=NOC(=O)CF;RFPFRCWGWMCVCK-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79491;MM79491;CCOCOCC(C)(C)N;VRTPSBGAVWVUFM-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79492;MM79492;C=NOCOCC(C)(C)N;PSYHEAHNBXICNV-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79493;MM79493;C=NN=CC(C)C(=O)NN;KLZFXGLLGQAQCQ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79494;MM79494;CNC(=O)ON=C(C)CF;FJVYHBZBPWXIME-UHFFFAOYSA-N;148.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79495;MM79495;CCC(C)=NOC(=O)NN;LSLKZVBLRVWNJG-UHFFFAOYSA-N;145.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79496;MM79496;CCC(C)=NOC(=O)NO;HAXOCGFOKYVURN-UHFFFAOYSA-N;146.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79497;MM79497;CCC(C)(N)C(N)COC;ONQDRRVMFNUIHI-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79498;MM79498;C=CC(NN=C)C(=O)C#N;QNOIFGIYYVBUFH-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79499;MM79499;CCN=C(NN)NOCC;KNNGYIFIIJAVCV-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79500;MM79500;COC(=O)ON=C(C)CO;KKQPUQLJTAGZGU-UHFFFAOYSA-N;147.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79501;MM79501;C=CC(C)=CCC(=O)CO;DHBKRRNZIQQQKY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79502;MM79502;CNC(C)(C=CF)CCN;PNZJYPRRXODNCJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79503;MM79503;C#CCC(F)C(O)C=NN;GAFCTZPGUUZZRF-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79504;MM79504;C=CC(C=C)C(=O)NN;WXJCSHCVKSYLRD-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79505;MM79505;CCC(=O)NC=C(C)C=O;DCSJODAQFBINOU-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79506;MM79506;C=CC(F)=CNC(=O)CO;UYXZIPWOLUQFRB-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79507;MM79507;C=CN(C=N)C(=NN)NC;LXWSDSFKNYOZNC-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79508;MM79508;CON=CN(N)C(=N)N;SFKUKXRKMRKWOY-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79509;MM79509;CNC(=O)NC=C(F)C=O;DMNFCFMUKLEFMT-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79510;MM79510;CNC(=O)NC=C(F)C#N;IOHUITQBAQQCQL-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79511;MM79511;CNN=C(C)NC;ZTQCMJKWEAXRNE-UHFFFAOYSA-N;101.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79512;MM79512;C=C(C)C(=O)CCNCC;CQOBSZAAZQBYBX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79513;MM79513;CC(C=O)=NNC(=O)CO;CYNRACSAFPYGBR-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79514;MM79514;CC(C#N)=NNC(=O)CO;YCDGRHAWIBDVSB-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79515;MM79515;CC(C=O)=NNC(=O)CF;AVTGKWACELEWAS-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79516;MM79516;CNN=CC(C)(F)C(C)O;UVQQLQJOODENCR-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79517;MM79517;CON=CCC(=O)CO;BVEDNWMIMAEUPX-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79518;MM79518;C=CC(=O)CCNCC;ZOFRKRUPWMRVPU-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79519;MM79519;CCC(F)(C=NNC)CO;GZAIXSNMZIKCHD-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79520;MM79520;CNC(=O)NN=C(C)C#N;IMVDOSRINLPFRM-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79521;MM79521;C=CC(C)=NNC(=O)NN;AHLHZCZVCJSJBT-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79522;MM79522;C=CC(C)=NNC(=O)NO;PPJAHFQJNKRTBR-UHFFFAOYSA-N;143.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79523;MM79523;CC(C=O)=NNC(=O)NO;PFGZVVDZRCZGRS-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79524;MM79524;CNCC(N)(CF)C(C)C;SXPXPRJPZDNGFN-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79525;MM79525;CC(C=O)=COC(=O)CO;SLOZQPWXOPOZHA-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79526;MM79526;N#CC(F)=COC(=O)CO;UOLWTIGPYATVBA-UHFFFAOYSA-N;145.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79527;MM79527;C=CC(=C)CC(N)C(C)N;JZAUBNZEWKLWDK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79528;MM79528;C=NOCC#CC(=O)NC;CMJFMIZSAOKPFD-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79529;MM79529;C=C(C)CNCC(N)CC;BISZQZLRGBDOBZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79530;MM79530;C=CC(C)NCCC(=C)C;GTFQFRAKLUYKHU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79531;MM79531;CCC=NN(C)C(=N)N;AVIIMYPHUWOEHG-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79532;MM79532;CC(O)C(F)C=NN;OEXRMFRVFIBUOB-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79533;MM79533;CC=NN(C)C(C#N)C=O;TVQQKUYVLRFPRK-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79534;MM79534;CC(C=O)=NOC(=O)NO;DGZUCCDUYQRNDU-UHFFFAOYSA-N;146.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79535;MM79535;COC(=O)ON=C(C)C=O;VATYSFNOKYBOFS-UHFFFAOYSA-N;145.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79536;MM79536;C#CCCC(C=NO)NC;JLZBNXFARGFWHY-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79537;MM79537;C#CC(C)=CCC(=O)NO;OMDWBPQNXZONAK-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79538;MM79538;CNC(C=C(C)F)CCN;PQSSKYWARPVKLL-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79539;MM79539;CON=CCC#CC(C)O;KBIFWZQKJHROEC-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79540;MM79540;C=C(CF)C(CO)=NNC;FEYFMEPOSCPYGZ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79541;MM79541;C=CC(NC(C)C)C(C)N;QCLCETLPLSYQRO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79542;MM79542;C#CC(F)=CNC(=O)NC;JZBCOQLNMLCUEV-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79543;MM79543;N=CNC(=N)C=CCCF;FBGSSOSPIQQJAQ-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79544;MM79544;C=C(C=CF)C(CO)=NN;URIKRRQFLGJNQJ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79545;MM79545;C=CCC(N)C(N)CC=C;MRLXGFBWLDCANI-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79546;MM79546;C#CC(C)=NOC(=O)CO;UHLBDLAMCGBOTQ-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79547;MM79547;C=C(C)C(N)CCCCF;DJNLXBKWIXHEBT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79548;MM79548;CCNC(=N)C(=N)NC=O;KUHXHQTYPMOBRF-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79549;MM79549;C#CC(C)=NOC(=O)NC;INUSDVPNCSOSDF-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79550;MM79550;C=CC(=O)CC=C(C)CF;LAGGSFDQLRFSBE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79551;MM79551;CC#CC(O)C#CC(=N)N;GBKVOAPTJYIBHH-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79552;MM79552;C=CC(=O)NC=C(F)CO;DQRIAEPAWPRRMW-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79553;MM79553;N#CC(=O)NC=C(F)CO;CYOYMXASVFXOJH-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79554;MM79554;C=C(CNCCC)C(C)N;OFFTUWFAOHCOJA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79555;MM79555;CC(C)C(N)C#CCCN;XNJNZGYDFRBXEL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79556;MM79556;COC(C)=CNC(=O)C#N;FRDKWTXOFAXGAB-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79557;MM79557;CC(=O)C(F)C#CC(=N)N;ONSGJBAAZWKMSM-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79558;MM79558;CC(CO)=NN=C(N)C=O;HPUJCRVTSDIGBB-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79559;MM79559;C=CC(=O)NN=C(C)CO;KDFFZAXFLXEQMT-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79560;MM79560;CN(C)N=CN(O)CC#N;JEYWRUYEIPRKPQ-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79561;MM79561;C=COCC(=NOC)NO;OQQLDUDTGLMQPN-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79562;MM79562;COC(C)=NNC(=O)C=O;LCJYKHLLNZLJAX-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79563;MM79563;COC(C)=NNC(=O)C#N;DTODEACCIJJKJI-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79564;MM79564;C=C(C=O)OC=C(C)CO;CHDYLVIFQGKAEZ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79565;MM79565;C=C(C=O)OC=C(F)CO;YRQVOWQOEPCYRF-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79566;MM79566;CC(=COC(=O)C#N)CO;BDTZZALWGMDBFW-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79567;MM79567;N#CC(=O)OC=C(F)CO;CQWRFVGFYYPLPI-UHFFFAOYSA-N;145.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79568;MM79568;C#CC(O)C#CC(=N)N;SDRUWMUFKYLRGG-UHFFFAOYSA-N;122.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79569;MM79569;CC(CO)=NOC(=O)C#N;ZZUQLQMJRAXSSG-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79570;MM79570;C#CC(CC)(CCN)NC;WKPUJOWXFRYPIN-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79571;MM79571;C=CC(=O)NC=C(C)C=O;SRHXWUKMWNCUEH-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79572;MM79572;CC(C=O)=CNC(=O)C=O;BSIJFWMQGMIKHN-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79573;MM79573;CC(C#N)=CNC(=O)C#N;GHUZQXDNAPGBDR-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79574;MM79574;O=CC(=O)NC=C(F)C=O;JMCXDYUABODVCQ-UHFFFAOYSA-N;145.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79575;MM79575;N#CC(=O)NC=C(F)C=O;BEOICGNKVKXOOA-UHFFFAOYSA-N;142.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79576;MM79576;N#CC(=O)NC=C(F)C#N;AORPPWFEOZRJHG-UHFFFAOYSA-N;139.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79577;MM79577;COC=C(C=NOC)CO;LVPANXZBYYGQHQ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79578;MM79578;C#CC(C)(O)C(=N)NC;NVHQBXWEJXUZKG-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79579;MM79579;C#CC(=NNC)C(C)CO;AYNDECLPIHBLMU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79580;MM79580;CC(C=O)=NNC(=O)C#N;MZXFAGMDGAGKEH-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79581;MM79581;CC(C=O)=COC(=O)C#N;VXAFXIBEFFXZHD-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79582;MM79582;N#CC(=O)OC=C(F)C=O;RNPGWZDKMGQNPT-UHFFFAOYSA-N;143.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79583;MM79583;CC(C=O)=NOC(=O)C#N;LENCLGNJIXDQSF-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79584;MM79584;C#CC(C)=CNC(=O)C#N;LBIHKWSQTNWUEF-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79585;MM79585;C#CC(F)=CNC(=O)C=O;UXFNOHXRFZOBMH-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79586;MM79586;C#CC(F)=CNC(=O)C#N;IMXCUSJQEWCFBO-UHFFFAOYSA-N;138.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79587;MM79587;C#CC(O)C(=N)NC;AZSWCVUGCAZALX-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79588;MM79588;C=CC(N)CCN(C)CC;PCHFLABCSBKUQS-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79589;MM79589;C#CC(=O)NC=C(C)CF;VVWBNHHQYFTTCS-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79590;MM79590;C#CC(=N)NCC(C)OC;HQQUXQGEGPSCIH-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79591;MM79591;C#CC(=O)NC=C(C)OC;PMUGOIXJDWLRFZ-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79592;MM79592;C#CC(=O)NN=C(C)OC;NUOSDQUGCREIRG-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79593;MM79593;C#CC(=N)NCC(N)C#C;HAPXDRQLUUZFPH-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79594;MM79594;CNC(C)=NCC(=O)OC;VLDDVQRPQCOWCJ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79595;MM79595;CCC(N)C=CC(F)CN;PDNARMNXGLLDLC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79596;MM79596;C#CC(=O)ON=C(C)CO;OZHIILOFYRTSSO-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79597;MM79597;CCC(N)C#CC(C)CN;FJIFWCLVSMNOKD-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79598;MM79598;C#CC=NN(C)C(C)C=O;PGXFCMBYWFZOQF-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79599;MM79599;C#CC(=O)NC=C(C)C#N;KMOAEZAYIUSAHL-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79600;MM79600;C#CC(=O)NC=C(F)C=O;BPZFGYWORHJDFA-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79601;MM79601;C#CC(=O)NC=C(F)C#N;XOWBQDCOZJIQEH-UHFFFAOYSA-N;138.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79602;MM79602;CNN=C(C=O)NC;UVEGMWSMKYWUCA-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79603;MM79603;C#CC(=O)NN=C(C)C=O;RUXYJKNBQNGANJ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79604;MM79604;C#CC(=O)NN=C(C)C#N;YHEBTMYWQYGISS-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79605;MM79605;C#CC(=O)ON=C(C)C=O;FFLNUTNHTLGVDU-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79606;MM79606;C=COC(=O)C(=N)NN=C;UZHMWADDTNNAKJ-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79607;MM79607;C=NNC(CF)=NN;ZVZNHGHHLZLOCC-UHFFFAOYSA-N;118.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79608;MM79608;C#CC(=O)C=CNN=C;QUUCWEWJVBYORP-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79609;MM79609;N#CC(=CNC=N)NC=O;UJGUTGAQRFLLNU-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79610;MM79610;C=NNC(=N)ON=CC;OPAMTZGWMLYVCY-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79611;MM79611;CCNCC(C)(O)COC;ISNAHXWQDYQJLF-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79612;MM79612;CC(C#N)=NNC(C)=NO;ZKWUJGUTYQYIQX-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79613;MM79613;CC(CN)CC(C)(O)CF;FNZCYYQOBHZBGL-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79614;MM79614;COC=NNC(C)(C)C;LVWNVRBPMQDSDG-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79615;MM79615;C#CC(C)=NOC(C)=NO;GTHBBVCGOPCLFF-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79616;MM79616;C#CC(C)NN(C=N)CC;LCYAOMFTJMZTKB-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79617;MM79617;CC=C(C=C(C)CN)CN;JMASBTZJOKUHTO-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79618;MM79618;C=NOC(C)=NN;WCIKOOXHHRWDQM-UHFFFAOYSA-N;101.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79619;MM79619;C=C(C=C(CC)CN)CN;WGBPTNPXWAIAGH-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79620;MM79620;CC(CO)=NN=C(C)CO;ZOFOSAODLNUWBE-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79621;MM79621;C=C(CN)C(C)=C(C)CN;IODDZUPUTQZTTQ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79622;MM79622;COC(C)=NN=C(C)CO;WNGJSSHAJOVSEF-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79623;MM79623;C=NNC(C)(C#N)C=O;SNVUWPQAQVBCHY-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79624;MM79624;CC=CN(N)C(=O)C=CN;YVEUDOFLBFQPTQ-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79625;MM79625;CC(C=O)=NN=C(C)CO;ACUFXVIQXGPPIS-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79626;MM79626;COC(C)=NN=C(C)C#N;VKVYFMVRCLAJKI-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79627;MM79627;C#CC(C)=NN=C(C)C#C;CPMCJXWGRIRGFY-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79628;MM79628;CCC(F)CCNCCN;MBHDTOXRAPXBFB-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79629;MM79629;C=CCNC=NC(C)CN;RXTDGGUBGYGWMH-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79630;MM79630;CCNC(CF)C(C)CN;KKCHHXGFWOFEKV-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79631;MM79631;C#CCN(OC)C(=N)NC;BRKXWRJRWNQLFA-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79632;MM79632;C#CC(C)C(=CCN)CN;TVEUSQXJYPSUSS-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79633;MM79633;CCC(F)CC(CO)CO;IJOQRAIPBIANHI-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79634;MM79634;C#CCC(CN)=C(C)CN;KAZIEOBVQIQBON-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79635;MM79635;C#CC(C=CCN)=CCN;HFINJEULTGTNHA-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79636;MM79636;C=C(C)C(NC)C(N)CC;CRCMQKOEDAICRW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79637;MM79637;C=CC(O)C#CCCNC;ALTDBBNSGZJOBJ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79638;MM79638;C#CC(C(=N)N)=C(C)OC;DYGQXBYWXYNWBL-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79639;MM79639;C#CC(NC)C(CC)CN;HPNQKBZLHQSSEW-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79640;MM79640;C#CC(CC)C(CN)NC;QLTFYHFAOWDRRM-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79641;MM79641;C=CC(CN)NC=NCC;FBJSVYIKPSHNFY-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79642;MM79642;NCCC(F)(F)F;NGZVNONVXYLYQW-UHFFFAOYSA-N;113.08;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79643;MM79643;CCC(CC(O)CO)OC;PHMSIDIFGDTWEN-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79644;MM79644;CCC(O)CC(CO)OC;KRDPYEIKHRIAGJ-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79645;MM79645;CNCCN(C)C;HVOYZOQVDYHUPF-UHFFFAOYSA-N;102.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79646;MM79646;COC(CC(C)CO)OC;CHTKILFXQOSAKA-UHFFFAOYSA-N;148.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79647;MM79647;C=CC(C)NCC;YKYJBYZNSFKGIO-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79648;MM79648;COC(C)CC(OC)OC;OMAKZNALRADTRX-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79649;MM79649;CCC=CN(O)C(=N)NN;VFMJOFQZLDPMSJ-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79650;MM79650;CCC(CO)OC(C)CO;OSHHWBWWMHVWCY-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79651;MM79651;C#CC(C=C)C(O)CNC;KWKLVYKVDADPTJ-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79652;MM79652;C=CC(N)C(C)C;QOKTTWTYXHGNCZ-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79653;MM79653;CC(C)N(N)C=N;VFLPXZIUQRVBBY-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79654;MM79654;CN(C)CC(C)(C)N;IRNAEDHJBNPCEZ-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79655;MM79655;CCCNCCC(O)CO;JWTGHQVFUCONLZ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79656;MM79656;CNCC(O)C(C)CCF;CHQHXNMEDDFRJS-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79657;MM79657;CNCCNC(C)C;OBUILYJKCCEQEW-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79658;MM79658;C=CCC(N)C(C)N;NWUMBJBGYYRADQ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79659;MM79659;CCC(CO)CC(O)C#N;LNISQLXAGAYQNW-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79660;MM79660;C=C(CC)C(C)NC;QUDKJZCRORTGLL-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79661;MM79661;C=CC(CCC)NC;GMTPTFXPZGYNKK-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79662;MM79662;CC#CC(=NC)NC;GBVVXUUFPGAORW-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79663;MM79663;COC(CO)CC(C)C#N;IFBOZJAGJJMIDS-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79664;MM79664;CCC(CC(O)C#N)OC;VSSVPCNMBZVTIC-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79665;MM79665;COC(CC(C)C=O)OC;RIYSWAMUWUBOOH-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79666;MM79666;COC(CC(O)C#N)OC;GANDUQADXMWGKA-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79667;MM79667;C#CCC(C)(N)C(C)N;SLZHGHKISCBDDJ-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79668;MM79668;CC(N)C(C)(C)N(C)C;WUTRWVHGZAPDGG-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79669;MM79669;CC(C)=NO;PXAJQJMDEXJWFB-UHFFFAOYSA-N;73.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79670;MM79670;CCC(CO)OC(C)C#N;UOVXDAACUAFCHV-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79671;MM79671;C=CC(C)OC(CO)CO;JQRDYMZILGRSLE-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79672;MM79672;CC(C#N)OC(CO)CF;VHVYJWYAWKRRPF-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79673;MM79673;C=C(C)CC(N)C(C)N;JFRRLQOPEZWLGL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79674;MM79674;COC(CO)OC(C)C#N;OVLWRQIETORABB-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79675;MM79675;CCC(CO)CN(C)C=O;BNVDXVOPBIONIE-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79676;MM79676;CCNCC(C)(N)CF;FATUANPSCUQPNJ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79677;MM79677;CNN(C=N)CC(C)C;QBDYFIGYZRVPJV-UHFFFAOYSA-N;129.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79678;MM79678;CCCOC(=NO)N(C)C;RIVCEAHSMIGRBC-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79679;MM79679;CC(=N)NOCC=CF;YIHXAOFPQYRALF-UHFFFAOYSA-N;132.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79680;MM79680;CNCCN(C)CCF;XRUWHHCJOZOBJG-UHFFFAOYSA-N;134.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79681;MM79681;CC(C=CCN)=CCN;RPXYCUMDFTXXFM-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79682;MM79682;CCC(OC)ON(C)C=O;FYAPDXFSOFYHNV-UHFFFAOYSA-N;147.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79683;MM79683;O=CCC=CCNNC=O;YNLGGUQYRLFXMN-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79684;MM79684;CC(N)C(N)CC=CF;NOUZWQCFUGAXGL-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79685;MM79685;COCC=CN(N)C=N;DIGQXZMYNUCKPN-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79686;MM79686;C#CC(O)CC(OC)OC;NANUNESKDRZODB-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79687;MM79687;CNCC(O)C(C)C(C)C;RFBINNDQIZOAEV-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79688;MM79688;C#CC(C)OC(CO)CF;WZHDNMUBWRBRKE-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79689;MM79689;C#CC(C)OC(CO)OC;IWYQAHYTIYYUEM-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79690;MM79690;C=CCC(=CCN)CN;ZMQKPEJRAMBVHW-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79691;MM79691;CC(C)C(=CCN)CN;PCHODHPJBYPYGQ-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79692;MM79692;CCC(C#N)CC(O)CO;ULHFSKZTGUINJG-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79693;MM79693;C#CC(C(=C)F)C(=N)N;OJQVGDDVILSBHG-UHFFFAOYSA-N;126.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79694;MM79694;CC=NNC(CO)=NOC;CXEUJWFOYZOEQX-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79695;MM79695;C=CC(CCCF)NC;IZHFJBXGZQHVKA-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79696;MM79696;CN(C(=N)CO)C(N)=O;UVDKPBVFLGEAKB-UHFFFAOYSA-N;131.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79697;MM79697;CCN(C=N)NCC#N;PGRTWZRJFYVWBK-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79698;MM79698;NCCCNCC=CF;ULGJESMWAOBOFA-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79699;MM79699;C=CCC(C)(N)CN(C)C;HPJHVJZLHPUYKA-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79700;MM79700;COC(C#N)CC(F)CF;NHNGJBCFASNLPX-UHFFFAOYSA-N;149.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79701;MM79701;CC(=CC(C)N)CN(C)C;NPIVILYLIFPEKK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79702;MM79702;C#CCNC(C)(C)CCN;IGLRRETZXTWDSQ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79703;MM79703;C#CC(C)N(O)C(=N)CF;NRVXHCBDNDPTDL-UHFFFAOYSA-N;144.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79704;MM79704;CCC(C#N)OC(C)CO;GOANZWGIYAVVTP-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79705;MM79705;C=CC(CO)OC(C)OC;JGZLRLLHHFKWRD-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79706;MM79706;COC(C)OC(C#N)CO;PCRVATLYZFYBCS-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79707;MM79707;COC(C)OC(C#N)OC;GAFFBCIWYSSENF-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79708;MM79708;CNCCN(C)CC(C)F;ZWSQPBCUQZKZKX-UHFFFAOYSA-N;148.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79709;MM79709;C=C(C)CN(C)CCNC;PGRMTUDMUCKCMX-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79710;MM79710;CCC(CN)C(C)(N)CF;RBGUGGRTZHCAOQ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79711;MM79711;CCN(C=O)CC(C)CO;AMWMOARCVXTYHG-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79712;MM79712;C=CC(C)N(N)C(=N)NO;ITKJTCAFRDEOQV-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79713;MM79713;CCC(O)CN(C=O)CC;VTTOTDTXOFTGEF-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79714;MM79714;NCC(N)(CCF)CCF;JUIVWZOTLNNBML-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79715;MM79715;CCC(N)(CCN)C(C)F;KGTXXOKHLRHSCY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79716;MM79716;C=COC(C)(C=O)C(=N)N;VWPOJVXPIPJWFS-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79717;MM79717;CON(C=O)CC(C)CF;VHCNDBYZNZFOLK-UHFFFAOYSA-N;149.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79718;MM79718;COC(C)CN(C=O)OC;DPQJCLDNMLYAMG-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79719;MM79719;C=C(CC)CC(N)C(C)N;NNTQPLPLMOXAJF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79720;MM79720;CC(C=O)CC(C#N)CO;RLJVJXJIUBAQFB-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79721;MM79721;CC(C#N)CC(C#N)CO;NQCBBFRFUDIAFP-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79722;MM79722;C=NNC(=N)OC(=O)NC;LIJZIZPNFWPOJV-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79723;MM79723;CNN=CC(C#N)CO;MSEHRWYBLCFBAS-UHFFFAOYSA-N;127.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79724;MM79724;C#CC(ON=C)ON=C;FJQOGBSYLOFMRA-UHFFFAOYSA-N;126.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79725;MM79725;CC=C(C)CC(N)C(C)N;DNUVAPSWPCLFFI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79726;MM79726;C#CCC(C)ONC(C)=N;JOZHJZLWUSTIJR-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79727;MM79727;CC(=CC#N)NCC(C)O;GKMBTIBKZJPHII-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79728;MM79728;COC(C=O)CC(C)C=O;YYZFHTJYMZQIMF-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79729;MM79729;COC(C#N)CC(C)C=O;ZIFVWKKWNDIXEM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79730;MM79730;COC(C#N)CC(O)C#N;UHMMHLDRUAOVNP-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79731;MM79731;CCN=C(NO)NNCC;XZAPXNHTAKZFNI-UHFFFAOYSA-N;146.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79732;MM79732;CC(C)=CCC(N)C(C)N;RWYFZGRFSGLVTO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79733;MM79733;C#CC(=NN)C(C=C)CO;DLASJEQKMOIADJ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79734;MM79734;CC(C=O)OC(C#N)CO;FLCQLYOWYRBPGK-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79735;MM79735;CC(C#N)OC(C=O)CO;MBLRKUHPMHXMTM-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79736;MM79736;CC(C#N)OC(C#N)CO;PFQKKJPHUBELRJ-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79737;MM79737;CC(C=O)OC(C#N)CF;IBAFATNDLCSFJP-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79738;MM79738;CC(C#N)OC(C#N)CF;OEMGLPNECTZOLX-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79739;MM79739;COC(C#N)OC(C)C=O;YPTLUYWTJBLCQE-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79740;MM79740;COC(C#N)OC(C)C#N;UFJCZCYWFCIVSH-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79741;MM79741;CC(F)CNCC(C)CN;NDXUVLFKMYQRDF-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79742;MM79742;C=CC(N)C(C)CN(C)C;WIRQSCRDPZKLFD-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79743;MM79743;CN(C=N)C(=O)CF;LFFAQZBIUZIADA-UHFFFAOYSA-N;118.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79744;MM79744;C=CCC(=NC)NN(C)C;ZQFKJHYYGYIBCX-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79745;MM79745;C=C(C)CC(=CCN)CN;ADGBARJIUYYGJX-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79746;MM79746;CCNN(C=N)C=C(C)C;BETQPGYYEMESKJ-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79747;MM79747;CNCC(C)C#CC=NN;SQWKJPBOMZIYRW-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79748;MM79748;C=CC(C=C)C(N)C(C)N;WTIYXCYQQYBNRN-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79749;MM79749;C#CC(OC)C(=N)N(C)C;DPJMMWWKBYSKBX-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79750;MM79750;C#CC(CN)=C(C)C(C)N;UNKPJOWLOWYRIB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79751;MM79751;CCC(C#N)ON(C)C=O;AYCJMBVJDXAPGP-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79752;MM79752;C=CC(O)CN(C=O)CC;BLSDMBNUFYYJEX-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79753;MM79753;CCN(C=O)CC(F)C=O;RUGBMUAJOMBOOJ-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79754;MM79754;C=CC=CCC(N)C(C)N;ZUEBVTCIOIXCIK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79755;MM79755;CN(N)C(=O)C#CCCF;MGGBMPZLIZJOCH-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79756;MM79756;CNN=CCCC(=O)C#N;DNARCTITYGGOLX-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79757;MM79757;CCNC(C=CF)CCN;NKYRUOHBBMXUPT-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79758;MM79758;C=CC(N)C=CC(C)NC;NOVOXMQGADCVGV-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79759;MM79759;C#CC(=NN)NN=CC=C;PRJWBESZSYMZNP-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79760;MM79760;CNC(C)C#CC(C)CN;LBDLMDAHSMTMAF-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79761;MM79761;CCN(C)CC(CN)CF;CIEYISUYKLUPDI-UHFFFAOYSA-N;148.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79762;MM79762;C=CC(C)CN(C=O)OC;JVTDROWDAHZXGY-UHFFFAOYSA-N;143.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79763;MM79763;CCC(C)=CN(C=N)NC;HMJATFKRNYLICK-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79764;MM79764;C#CC(=CC(N)CC)CN;WSJZGNFMQGMETK-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79765;MM79765;C#CC(O)CC(C=C)CO;DZZRCTOHGCAFNB-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79766;MM79766;CN(C)CCC(=CF)CN;IKCIDMAIJOGUHR-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79767;MM79767;C=CC(C=CC(C)N)NC;IFIIBMCTWUFCFL-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79768;MM79768;C#CC(O)CN(C=O)CC;JFAORQZWEVYCTM-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79769;MM79769;C=CC(C)N(C)CCNC;PHOIZGHSQZXTPA-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79770;MM79770;C#CC(C)N(C)CCNC;RGSUQRUOINRGEA-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79771;MM79771;C=C(CCC#N)C(C)NC;JEWKXSRXUJPPCP-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79772;MM79772;CCOCC=CN(N)C=N;GELCAMMWXDXYER-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79773;MM79773;C#CC(CO)CC(O)CC;WWCDKYJFQUIVTC-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79774;MM79774;C#CC(CF)CC(O)CF;XNYXGCWMTIABHH-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79775;MM79775;C=CC(C)C(=CCN)CN;SOXOHMKMOHXXCV-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79776;MM79776;C#CC=C(OC)C(=N)NN;BREGFUUOJPPPCJ-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79777;MM79777;CNN=COC(C)C;WBTDGVWOOOEJGV-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79778;MM79778;C=CCC(CN)=C(C)CN;NUKHSWSMOWLETA-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79779;MM79779;CC=CCC(=CCN)CN;UTDGZALNPCADLG-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79780;MM79780;CC(CN)=C(CN)C(C)C;GRMTYWFUWPASJT-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79781;MM79781;CCNN=COCC;KMNGCWJZOSZBPE-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79782;MM79782;C#CC(CO)OC(C)CO;SSSJPCOULUXYHH-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79783;MM79783;C=C(F)C(=CCNC)CN;ZHQNTOARHSGNQP-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79784;MM79784;CCC(CN)=C(CC)CN;ARQUUMPHQMJQKS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79785;MM79785;CN=C(NO)NC=CCF;KYMPSVBODBLVGY-UHFFFAOYSA-N;147.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79786;MM79786;C#CC(CO)CC(C)C#N;NQVKZBVYZQYTAW-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79787;MM79787;C#CC(CC)CC(O)C=O;YKYJFAFZRYELEQ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79788;MM79788;C#CC(=N)NCC(O)CC;QVSYQQZZNJZLGJ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79789;MM79789;C#CC(CO)CC(O)C=C;CQKCISMVSRYSMJ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79790;MM79790;C#CC(CF)CC(O)C#N;NODODOHYUSDXCO-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79791;MM79791;CNN(C=N)C=CCC#N;RSHGWSFNTSSWNW-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79792;MM79792;CC(N)C(C)N;GHWVXCQZPNWFRO-UHFFFAOYSA-N;88.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79793;MM79793;NCC=CCN;FPYGTMVTDDBHRP-UHFFFAOYSA-N;86.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79794;MM79794;C#CC(OC)OC(C)C=O;XPEQJTRPLVNYJE-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79795;MM79795;C#CC(OC)OC(C)C#N;XJTUWGNVEAJXLW-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79796;MM79796;C=NNC(=N)OC=O;GYLWAELQRGQLAT-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79797;MM79797;C=CC(C)(C)NC;DSJFCAAHGYTQAJ-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79798;MM79798;C=C(C)CNCC;AXTLFVLHXSDZOW-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79799;MM79799;CC(=N)NOC(C)C;DMTWNUQIGKRBNL-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79800;MM79800;CC(CN)=C(C)CN;RDPJLELODUFZHE-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79801;MM79801;CNCCC(F)=CF;MJCIDBQXFXSADP-UHFFFAOYSA-N;121.13;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79802;MM79802;CNCCC(C)=NN;BBNFORLTFPGJAU-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79803;MM79803;C=CC(O)CC(C)CN;CMDWTXDYFQNSKG-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79804;MM79804;C#CC(O)CC(C#C)CO;JHHHDEMEDWSWMM-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79805;MM79805;CCN(C=N)N(C)C;ZUCRJEFQAABCJZ-UHFFFAOYSA-N;115.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79806;MM79806;C#CC(O)CC(C#C)OC;QOMYZCJXPQYCDP-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79807;MM79807;CCC(C)=NO;WHIVNJATOVLWBW-UHFFFAOYSA-N;87.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79808;MM79808;C=C(CN)C(C)(N)CC;MDKAUPQVFXNLOJ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79809;MM79809;C#CC(C)OC(C#C)CO;AYNPXKMUISXAQM-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79810;MM79810;CC(CO)CC(C=O)C=O;NNCXBTBUZNTCGL-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79811;MM79811;CC(CO)CC(C#N)C#N;WGTCDYUCOGUJBU-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79812;MM79812;C=C(CN)CC(=C)CN;CSXNJFOJOFVFBT-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79813;MM79813;C=CC(C#N)CC(O)CO;SXSNBHBZKDLEJR-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79814;MM79814;N#CC(C#N)CC(O)CO;QNSLXCYKRYIJQA-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79815;MM79815;N#CC(C#N)CC(F)CO;QDRJRSIBVLPTGE-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15682;MM15682;N#CC(C=O)CC(F)CF;FLLCYEBCZCOFAN-UHFFFAOYSA-N;147.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79816;MM79816;C#CC=CC#CC(=N)N;MPANIYUAVROVLK-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79817;MM79817;CC=NNC(=O)N(C)N;JFWCOTMJBXBYLH-UHFFFAOYSA-N;130.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15890;MM15890;COC(C)CC(C#N)C=O;WLSYNMHFFOYATD-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02871;MM02871;COC(C)CC(C#N)C#N;CVRZYVUOLXSCQL-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79818;MM79818;C#CCC(C)C(N)C(C)O;CMICVZWKUQWBQI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79819;MM79819;C=CC(C=O)OC(C)CO;IWLYELZFVXPBDH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79820;MM79820;CC(CO)OC(C#N)C#N;CRGRZEFLCAYJPB-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02584;MM02584;CC(CF)OC(C#N)C#N;QIKGLDTVNFZKND-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02695;MM02695;COC(C)OC(C=O)C=O;NRGZAJPXIVTQAG-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79821;MM79821;COC(C)OC(C#N)C=O;WPEGDJNTROOJLB-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02688;MM02688;COC(C)OC(C#N)C#N;WGEJYZMWOGPNJV-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79822;MM79822;C#CC(C=CF)C(=O)NN;HABOWLSJCRBMEQ-UHFFFAOYSA-N;142.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79823;MM79823;C=CN(C=O)CC(O)CC;QBGRKPNNPVIGCH-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79824;MM79824;CC(CF)CC(=N)NO;QHKILPNMNDAPFN-UHFFFAOYSA-N;134.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79825;MM79825;CNCCC(C)=NOC;PJQCBCCJZUQPKF-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79826;MM79826;C=NN=C(C)CCNC;LARKMUFPWMWLHW-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79827;MM79827;C=C(CN)CC=CCN;JNYDBEOMINTXBO-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79828;MM79828;CCC(N)C(N)CCF;ADRVNFDVXHMIKL-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79829;MM79829;CC#CC(CN)CNC;VAMOMEAKBSCFEK-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79830;MM79830;CCCC(=CCN)CN;DGPJOSXRQVJNIV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79831;MM79831;CCC(C)ON(C=O)C=O;KQTBXNJSWMVHSA-UHFFFAOYSA-N;145.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15444;MM15444;C=CC(C)CC(C=O)C=O;KMCLPMQCTYRCDR-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16567;MM16567;CC(C#N)CC(C#N)C#N;GAGLSEMIOGZXKE-UHFFFAOYSA-N;133.15;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0";;;;;;;0.74;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79832;MM79832;C=CC(C=C)CC(O)C=O;PDOIQPIQPYJHSZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79833;MM79833;N#CC(O)CC(C#N)C#N;DBHNWFYMFCUZKT-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79834;MM79834;N#CC(C#N)CC(O)C=O;YKQHHIIVGAPFHV-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79835;MM79835;N#CC(F)CC(C#N)C=O;IVJGCOBNEPCNDJ-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15534;MM15534;N#CC(F)CC(C#N)C#N;OEZJGTVURILJMB-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16007;MM16007;N#CC(C#N)CC(F)C=O;WRZAUUIXUCLOQN-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79836;MM79836;NCC=C(CN)CCF;AARMCMZFBOTFIH-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79837;MM79837;C#CC(C)(O)C=NNC;BBEROACVGGHVKH-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79838;MM79838;CC(C#N)NC(C#N)C#N;YOFPLXCFTGELNP-UHFFFAOYSA-N;134.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15840;MM15840;CC(C=O)OC(C=O)C=O;KATQLFGWYFWMSB-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15833;MM15833;CC(C#N)OC(C=O)C=O;XYXDRYUMQBUOOW-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15828;MM15828;CC(C#N)OC(C#N)C=O;JYZMLSJKODYGIM-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15826;MM15826;CC(C#N)OC(C#N)C#N;VXUHWCQNELUVMF-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15831;MM15831;CC(C=O)OC(C#N)C#N;GHROQGUHIPMMLC-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79839;MM79839;C=C(NC=NC)C(=N)NO;NOKZTLHOCCFOIW-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79840;MM79840;CN(C=O)CC(C#N)C#N;JIIRGNUNFGMLBA-UHFFFAOYSA-N;137.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79841;MM79841;C=C(CC)N(C=N)NC;QOBFMDANUUPCMS-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79842;MM79842;O=CC(C=O)CN(O)C=O;BXJKKIDKYKWDCB-UHFFFAOYSA-N;145.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79843;MM79843;C=CCC(CO)NC;OMIBPPOIBLWLFN-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79844;MM79844;C=NN(C)CC(C#N)C#N;ZLOBMXSOIQBMHM-UHFFFAOYSA-N;136.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79845;MM79845;CCC(CN)=C(C)CN;SSAURLSBJLJNIR-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79846;MM79846;C#CC=CCC(CO)NC;QEDLUNWOZAAENB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79847;MM79847;CN(C=O)NC(C#N)C#N;LFOGZQHWFNTCHI-UHFFFAOYSA-N;138.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79848;MM79848;CN(C=O)OC(C#N)C#N;JREJORVNUFHZSG-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79849;MM79849;C=CN(C=O)CC(C)C#N;IECHSKUPGUWLQB-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79850;MM79850;CCC(CCNC)=NN;BVKOTLCBXIINGK-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79851;MM79851;C#CC(C)(C)C(=O)NN;SOJJUHTWCDTBSA-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79852;MM79852;CN=C(COC=O)NC;KMXMOWBCLSXLCE-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79853;MM79853;C=CC(F)CC(C)(N)CN;DDNYYCVYFWURDC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79854;MM79854;C=CC(C)CN(C=O)C=O;IZTIBJJMNNPKNP-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79855;MM79855;CC(C#N)CN(C=O)C=O;JSPDWJYUCXKLMO-UHFFFAOYSA-N;140.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79856;MM79856;C=CC(C)(N)CCN(C)C;DERRSSYPVLQJJA-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79857;MM79857;CC(C)=CC(=N)NCC#N;BCSGADKHBIVNNL-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79858;MM79858;CNCCC(C)=NN(C)C;DYNXDFPMPKSLQQ-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79859;MM79859;CNC(C)(C)C#CCCN;PAUWXVXEWCOJKD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79860;MM79860;C=CC(C)NC(C)C(C)N;PJDORNHDLONKKA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79861;MM79861;C=C(CN)CNCC(C)C;RILJHKLOMJWCHU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79862;MM79862;C=CN(C=O)OC(C)C=O;LQRFBROIVMGYIS-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79863;MM79863;C#CC(N)CC=CC(C)N;JBVMUOREQRGESQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79864;MM79864;CC(C=O)=CC#CC(=N)N;LETXVSOLUPIBKB-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79865;MM79865;CC(C#N)ON(C=O)C=O;AOTMLJSOHXAGEL-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79866;MM79866;C#CC(O)CC(C#N)C#N;PNEOLMYCAUKAKV-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79867;MM79867;C#CC(C)NC(C)CCN;YEBXAJKFGIVLBZ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79868;MM79868;C=C(CN)CC(C)=CCN;AMBZDOIEPVBSEL-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79869;MM79869;C#CC(C)CN(C=O)C=O;GEDJSHBXPFANAX-UHFFFAOYSA-N;139.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79870;MM79870;C#CC(C=CC)C(=O)NN;HTJHJBBEDVOSHY-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79871;MM79871;C=C(CO)C(CF)CNC;YEOLRVCRHBXWIG-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79872;MM79872;CCC(N)C(N)CC(C)F;KWOZENBEMXBLNV-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79873;MM79873;CC(C)NC(C)C(N)CF;RSYJJVHKLFPQJF-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79874;MM79874;C=CC(O)C(C#N)ON=C;WUGPQXPIRZFYAI-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79875;MM79875;C#CC(C)ON(C=O)C=O;YZABMZAHLXXXCX-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79876;MM79876;C=NNC=C(F)C(=O)NC;QRLYVBMQEONEPU-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79877;MM79877;CC(O)(C=CF)C=NN;QFDGDLGPFHLFQZ-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79878;MM79878;CNN=CC(F)C(C)O;MDXMKPGPZVEXGY-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79879;MM79879;CC=NOCC(=O)C=O;PCPVBDBOCJYUTE-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79880;MM79880;N#CCN(O)C=NC=N;OBIKIDRKVQGJRH-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79881;MM79881;C#CC(C#N)OC(C)CO;PXHZXOXDANLEFW-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79882;MM79882;C#CC(C=O)OC(C)OC;IDJLOMRGAAWRMY-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79883;MM79883;C#CC(C#N)OC(C)OC;ZDVWFDMGLSILQC-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79884;MM79884;C#CC(C=C)CC(O)C=O;FFBDBRHPZZBARP-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79885;MM79885;C#CC(C#N)CC(O)C=C;GQPUAYLNRFQONF-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79886;MM79886;C#CC(C=O)OC(C)C=O;YLSSZKQNPYBDBQ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79887;MM79887;C#CC(C=O)OC(C)C#N;VGOYWBXPHPUZPI-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15827;MM15827;C#CC(C#N)OC(C)C#N;DZALODSXSFLDRR-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79888;MM79888;N=CN(C=N)C(N)=O;UMZWKXSRLGNNQU-UHFFFAOYSA-N;114.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79889;MM79889;CC(C#N)=CNCCCO;XRAPCDGRHBJHFU-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79890;MM79890;C#CC(C=O)ON(C)C=O;QZHVTEQJNPBPCK-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79891;MM79891;C#CC(C#N)ON(C)C=O;SRGFFJRZBSHVDD-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79892;MM79892;CC(O)CC(C)CN;BSJILSAQCDSDCN-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79893;MM79893;C=NNC(N)=CC#N;ALHQYUYLKPKKPR-UHFFFAOYSA-N;110.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79894;MM79894;CCC=NNC(N)=CC#N;FVYXZNWQUDHZEF-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79895;MM79895;C#CC(C#C)CC(O)CO;WLWCGSVUFPGGDY-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79896;MM79896;C=NNC(CC#N)=NNC;UMMHMYITFSVGEE-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79897;MM79897;N#CC(=CC(=N)N)OC=O;XAQSYWVZFYDIIV-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79898;MM79898;C#CC(C#C)CC(O)C#N;GKPDTEIWTJGUCT-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79899;MM79899;CC(C=CF)NCCCN;RKSGFPSYEWCZTI-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79900;MM79900;C=C(C)C(NCC)C(C)N;ARVBTHLDICTATJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79901;MM79901;C=C(C)C(CCN)N(C)C;GWLAWZXIBJOXEL-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79902;MM79902;C#CC(C#C)CN(O)C=O;FTHDDSCBJOYVTG-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79903;MM79903;C#CC(C)(NC)C(C)CN;PAOSSMMFBAPCTQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79904;MM79904;C#CC(C#C)ON(C)C=O;GRJZFZBVLXFACE-UHFFFAOYSA-N;137.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79905;MM79905;C=CC(C)(CN)NC=NC;UXOUQVFMQMXHPN-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79906;MM79906;CCCC(CN)(CN)NC;HOGXWEWYFCZJSH-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79907;MM79907;C=CC(CN)(CF)CNC;XETQAHPNNOGCMG-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79908;MM79908;CC(=CC=C(C)CN)CN;ISUFVMMKLHXRCL-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79909;MM79909;C=C(CN)CC(=CC)CN;JGOLUUUWUPLFGM-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79910;MM79910;CCNN=C(C)CCNC;JHKTYCQDBUIRMV-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79911;MM79911;C=C(CF)CC(CO)OC;FXDUFESNVYNCHI-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79912;MM79912;C=C(CN)C(C)C=CCN;BLYCWUNBEWYEFJ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79913;MM79913;C=C(C=NNC)N(C)C=N;VXGNJCWGZFHZSO-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79914;MM79914;C=C(CO)CC(OC)OC;RMODEYQVLCRRKZ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79915;MM79915;CCC(=O)CC(OC)OC;WYCRQIULMFHSGL-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79916;MM79916;CCNCCOC(C)CN;UHNDLESZHKMJRE-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79917;MM79917;CC=NNC(C=O)=NNC;IOJFHKXFIZNEGP-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79918;MM79918;CCC(=O)NC(CC)CO;MYRWXTRZUDMJRX-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79919;MM79919;CCNN=C(C=O)NC;ZYAZNLYODWMHRO-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79920;MM79920;CCNCCCC(=O)OC;PEOHFFPBAXUCQI-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79921;MM79921;CNN=CN(CC#N)OC;QSZJSWJWUWDNQO-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79922;MM79922;CCC(OC)OC(=O)CO;HECJAKVBVXCLFM-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79923;MM79923;C#CC(NCC)C(C)CN;VZFYOMJBZPQKIB-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79924;MM79924;C=CC=NNC(=N)OC=O;JXXUBKCQEZLFFA-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79925;MM79925;C#CCN=C(NN=C)OC;WNQBKHILPVUSAH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79926;MM79926;C=C(C=O)C(CF)CNC;AZRTYJHUKJGIFJ-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79927;MM79927;CCCC(CN)=C(C)CN;OBCUDPFNOJAWAZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79928;MM79928;C=CCC(=O)C(=C)C(=N)N;BFQOAECRMVQPMO-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79929;MM79929;C=CCC(CCNC)=NN;JBVDBTSUUIQFRM-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79930;MM79930;C#CCC(CCNC)=NN;JPNIPCYXCCARGT-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79931;MM79931;C=C(C#N)CC(CO)OC;SMNSBDQIERQNAX-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79932;MM79932;C=C(C=O)CC(OC)OC;QDFHDFZSXPKXPV-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79933;MM79933;C=CC(=O)CC(OC)OC;LDZMXEKFWQVLTC-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79934;MM79934;COC(CC(=O)C#N)OC;CQKGFOPSCBUIAT-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79935;MM79935;C=NOC(C#N)C=NNC;BXMNFMGQILFDRT-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79936;MM79936;CCC(CF)NC(=O)C=O;MKEIMTAVWDIRNP-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79937;MM79937;CCC(CO)OC(=O)C#N;HENPNHGXQBLTAZ-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79938;MM79938;CCC(CCNC)=NOC;CQTNSRXICRUTDM-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79939;MM79939;C#CC(C)(C)C(=N)NC=O;DRLNZLICJYQUDV-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79940;MM79940;CCN(CC)NC(=O)C=O;KRIHTBSMOOTIAR-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79941;MM79941;CCN(CC)NC(=O)C#N;GJCNZVXEPCLOQU-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79942;MM79942;CC#CCC(=N)NC=O;XKCNQLNBQKLJOZ-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79943;MM79943;C#CCCC(=CCN)CN;JIWPYNHINFEIJB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79944;MM79944;CNC(=NO)OC;COBGRGUNUAVUSZ-UHFFFAOYSA-N;104.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79945;MM79945;C=NN=C(CF)CCNC;OVEYPJHYFTVCSI-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79946;MM79946;C#CC(=O)OC(CO)CO;HXZQMPMVZJDISW-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79947;MM79947;C#CC(=C)OC(CO)OC;QJBVCMINTRVERP-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79948;MM79948;C#CC(C(=N)N)=C(C)C#N;GYOZVZIBOIIOBC-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79949;MM79949;C#CCN(N)C(=O)NN=C;YGAGYOYRNDUDPP-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79950;MM79950;C=C(CO)CC(C=O)CF;DXUWQXFKROJFFW-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79951;MM79951;C=CC(CC)CC(=O)CO;SLIURWVEGUJSQK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79952;MM79952;CCC(=O)CC(C=O)CO;QMYWSEOYVOJDJN-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79953;MM79953;CN=CNC(C)=O;YICHMBJXNDCBDP-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79954;MM79954;CC(C)(N)COCCCO;NZZAGKIUGKPVAN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79955;MM79955;CCC(C=O)CC(=O)NC;CROCNMCKPXEAPV-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79956;MM79956;C=CC(NCCC)C(C)N;NBYYVQGSYFQUMF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79957;MM79957;C=CCNN(C=N)C(=C)C;ITBIAVFGGIVCGX-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79958;MM79958;C=CC(O)(C=O)C=NNC;TZBXKGVXUXWJAW-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79959;MM79959;CC(C)OC(=NO)N(C)C;XVHCNUJGTHCOQQ-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79960;MM79960;C#CC=C(OC)C(=O)NN;OWJJYLCWQCCBRZ-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79961;MM79961;C#CC(=O)C(O)CON=C;HATMRNHXYNHHKG-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79962;MM79962;COCOCC(=O)NN;ZDFDFBMPOZJLPQ-UHFFFAOYSA-N;134.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79963;MM79963;C=C(CO)CC(C#N)OC;RJOINWZVJGOKJD-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79964;MM79964;COC(C#N)CC(=O)CO;KFMKDRUWMFVVDR-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79965;MM79965;COC(C#N)CC(=O)CF;IPBWYCNFPKBPSP-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79966;MM79966;CNCCC(=NN)C(C)C;XMPMRTXFDLOXMY-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79967;MM79967;CCC#CC(CN)C(C)N;OISIBJQLBLROLC-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79968;MM79968;C=CC(CC(=O)NC)OC;NOTYUUYGZOPPCR-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79969;MM79969;COC(=O)CC(C#N)OC;QTNPFCPUYIHMGY-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79970;MM79970;C#CC(=COC=C)C(=N)N;JXMWLODPSXCVTH-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79971;MM79971;CCC(=O)NC(C#N)CF;KYOCWEKIXMPUNK-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79972;MM79972;C=COC(=C)C(=O)NN;WCBPWEJVKIGSOR-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79973;MM79973;CC#CCNN(C=N)CC;MZQRKLZIOJWRLS-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79974;MM79974;CCOCOCC(=O)NN;UWBUGWBGQARLJQ-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79975;MM79975;C#CCCCNCCNC;DNVZYRSSYSXJRZ-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79976;MM79976;C#CC(CCO)C(C)NC;MVDQRGCEQKWUSX-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79977;MM79977;C=CC(CC)NC(=O)NO;GFIVFZSAGCIZDG-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79978;MM79978;CNC(=O)NC(C#N)CO;RXNCORRVDVWJIH-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79979;MM79979;C=CC(CF)NC(=O)NC;QFDCSGRGEDBYQU-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79980;MM79980;CC(CN)CCO;QZSYAXJCRMECOT-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79981;MM79981;CCC(C=O)NC(=O)OC;UPISTIXECZOUHJ-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79982;MM79982;C=C(CO)OC(C#N)CF;GMGMAROVMYNDKW-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79983;MM79983;C=CC(CO)OC(=O)CF;LGNDNUBUDJFCLP-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79984;MM79984;C=NNC(=N)NC=CC;NEEXJWDKIODILQ-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79985;MM79985;C=C(C)C(N)CCCCO;JTBYLNYVISWARS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79986;MM79986;CCC(C=O)OC(=O)NC;HALAGVWDLZIAIS-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79987;MM79987;C=CC(OC)OC(=O)CO;PRWZBWCMJTVDAV-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79988;MM79988;CNCC(C)NC;RDHNFSNXWLWMIX-UHFFFAOYSA-N;102.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79989;MM79989;C=C(C)C(C)NC;RTHLYNSVJOCYIO-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79990;MM79990;C#CCC(C=O)CNC;MNPUZUGIJQXHJP-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79991;MM79991;C=C(C)C#CC(=N)N;KUDCDUDDBGTWRW-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79992;MM79992;CC(=N)NOCCF;FEKFMGKOLXFQJQ-UHFFFAOYSA-N;120.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79993;MM79993;CCN(C=O)CC(=O)CF;PTGSFOVNKFOUDK-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79994;MM79994;CC(C)(N)C#CCCN;FNMJKBKUYARTMJ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79995;MM79995;C=C(F)CCN(N)C=N;OMDFVDXLCZUADF-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79996;MM79996;C#CC=NNC(=N)N(C)C;ZVCSKXFAYSYHKI-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79997;MM79997;CCC=NNC(=N)N;PDLUEZCGOCZWDX-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79998;MM79998;N=C(N)C#CC=CC=O;YDHOIIISFBYVEP-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM79999;MM79999;C#CC(N)C(=N)N(C)C;JVKUDJHDQFLNCM-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80000;MM80000;C=C(CC)CN(C=O)OC;GEOULYUCZVBZDG-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80001;MM80001;C=C(CF)CN(C=O)OC;CZLYOWQSXNNMMC-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80002;MM80002;C=CC(=CC#N)NC=N;UUEFWUREECREDQ-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80003;MM80003;CC=C(OC)C(=O)NN;LIUZFMNJAIZSDH-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80004;MM80004;CC(N)(C=NO)CCCF;DSVGBTPAAVFDFY-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80005;MM80005;CCN(C=O)NC(=O)CF;WBFMWEBXYTXOLI-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80006;MM80006;CC(C=NO)CCN;XZHPGOHXLCMKBQ-UHFFFAOYSA-N;116.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80007;MM80007;CC#CC(O)CCNC;GTKPHINEEIAQAZ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80008;MM80008;C=COC(=CC)C(=O)NN;XDYDMYQPJHXWIM-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80009;MM80009;CCN(C=O)OC(=O)NC;OJDRGYXEIXGDLL-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80010;MM80010;C=C(C#N)CC(C#N)CO;OAPLLSXMQIYQSK-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80011;MM80011;C=C(C=O)CC(C=O)CF;HHZNWWUWDNZZTR-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80012;MM80012;N#CC(CO)CC(=O)C=O;APPKUTGFVINNGS-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15700;MM15700;N#CC(=O)CC(C=O)CF;JGCDGUAGXPNOKG-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80013;MM80013;N#CC(=O)CC(C#N)CF;XPFYBZCCVZFJGW-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80014;MM80014;C=CCCC(N)C(C)N;OADOZQKCWXBVJL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80015;MM80015;C=CCC(N)C(N)CC;IOERQDAMNFYCON-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80016;MM80016;C=CC=C(OC)C(=O)NN;CPIAUEWMFFWAIV-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80017;MM80017;CC(C)(F)CC(C)(N)CN;HERRORWQOIYWNA-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80018;MM80018;C#CC(C)(N)C(=N)N(C)C;XOTQVPXYNUBFKG-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80019;MM80019;C=C(OCC)C(=O)NN;CWVHPLCYLOVTKW-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80020;MM80020;C=C(C=O)CC(C=O)OC;NTNUYANSVRRYTE-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80021;MM80021;C=CC(=O)CC(C=O)OC;PGQUZVNSFYNPSM-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80022;MM80022;COC(C=O)CC(=O)C#N;LZTVHPWDZCHJCD-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80023;MM80023;COC(C#N)CC(=O)C=O;XANNEWFWFCJXHI-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80024;MM80024;COC(C#N)CC(=O)C#N;IFINNMQUOSQYBT-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80025;MM80025;C=CC#CC(O)C=NN;JOLFXSQLYIZEPE-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80026;MM80026;CCC(C#N)NC(=O)C#N;CIQOKKCHNSMJHQ-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80027;MM80027;C=CC(CO)NC(=O)C#N;GGGLZSYINOSPIM-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80028;MM80028;N#CC(=O)NC(C#N)CO;OXRNXGRTTNDNFH-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80029;MM80029;N#CC(=O)NC(C#N)CF;INPAFGITLBXQSE-UHFFFAOYSA-N;141.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80030;MM80030;C=CC(=C)OC(C#N)CO;ULTHYBLXQYMIKL-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80031;MM80031;C=C(C=O)OC(C=O)CO;IOHPFMUNXDLXER-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80032;MM80032;C=C(C#N)OC(C#N)CO;KYYHECAMPPRODL-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80033;MM80033;N#CC(CO)OC(=O)C=O;GSZFXITZXUXKSH-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80034;MM80034;C=C(C=O)OC(C=O)OC;UJKUIRBOVNJEQN-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80035;MM80035;C=C(C#N)OC(C=O)OC;VZTWTCWHTVDJRV-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80036;MM80036;C=C(C=O)OC(C#N)OC;GRLQQGJWUKTGHD-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80037;MM80037;C=C(C#N)OC(C#N)OC;HLTOOYOVZXENKE-UHFFFAOYSA-N;138.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80038;MM80038;COC(C=O)OC(=O)C#N;DWVZHDZNSJBLME-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80039;MM80039;COC(C#N)OC(=O)C#N;KZOGGDRNGFCJIO-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80040;MM80040;CC(C)(CN)CC(F)CN;DVLWZLCQJSONKK-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80041;MM80041;CC(N)C#CC(C)(C)CN;WFIWESCSSKQIOO-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80042;MM80042;C=C(F)CC(N)(CC)CN;COQDUNJNIXSQER-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80043;MM80043;CNC(C)C(C)(O)COC;AIPABVCZSFYDQI-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80044;MM80044;CC=C(OCC)C(=O)NN;SGHLSPCXUOECJZ-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80045;MM80045;CCC=C(OC)C(=O)NN;PVWOTSKUCNOODI-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80046;MM80046;CCN(C=O)CC(=O)C#N;QIACADZHIAHBFY-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80047;MM80047;CNCC(C)(C)OCOC;DPBPHJUMKNKNHH-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80048;MM80048;C=C(C)CC(=C)CNCC;CTKRESDMSIDXKF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80049;MM80049;CCC(NC)C(O)COC;WCFNRUQNGSVTCH-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80050;MM80050;CC=CCOCC(=O)NN;JWMGXRXUHFHMFT-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80051;MM80051;C#CC(O)C=NN(C)CC;SDHCGWJIXCDQRH-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80052;MM80052;C=C(F)CC(=N)NNCC;BBUUTOJCNRDZKU-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80053;MM80053;CC(C)NC(=N)C#CCN;JBYTWORMZDHMNL-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80054;MM80054;CCN(C=O)OC(=O)C#N;JIDJLXOZUSCFJV-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15773;MM15773;C#CC(=O)CC(C=O)CF;XVOMXWWSYQNIGK-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80055;MM80055;C#CC(=O)CC(C#N)CF;HXKWXHPSCPHSFW-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80056;MM80056;CCC(C)OCC(=O)NN;RFZRQULKGPMRNM-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80057;MM80057;C#CC(=O)CC(C=O)OC;SFEDMFMWGKRLEP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80058;MM80058;C#CC(=O)CC(C#N)OC;GHMMPHUBPNSMEK-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80059;MM80059;CNCC#CC(C)(C)CN;ZRESHAGJURMPHC-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80060;MM80060;C#CC(=O)NC(C#N)CC;WRLXFPQGSLUPQT-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80061;MM80061;C#CC(=O)NC(C=C)CF;HOBAJMDUMJPBID-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80062;MM80062;C#CC(=C)OC(C=O)CO;MUBGGVWMRCPHJN-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80063;MM80063;C#CC(=O)OC(C#N)CO;OXUPCGMENSYINU-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80064;MM80064;C#CC(=C)OC(C=O)OC;YCYRSMZEVLRJTG-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80065;MM80065;C#CC(=C)OC(C#N)OC;FXVMGHJGCOSHNC-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80066;MM80066;C#CC(=O)OC(C=C)OC;PTWFHFSACLIMFP-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80067;MM80067;C#CC(=O)OC(C#N)OC;XTMRSXPKTWZJSC-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80068;MM80068;CC(=N)NC(C)=C(F)CO;ZIOALHYCLFGYJG-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80069;MM80069;CCCCOCC(=O)NN;QYILSWNAUNJYBV-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80070;MM80070;C#CCC(N)(CC)C(C)N;QLAVGXKXFHRNSW-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80071;MM80071;C#CC(=C)CN(C=O)OC;AINAQPHDVYUKMZ-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80072;MM80072;C=CC(C)(CCN)N(C)C;UPRLTKKCWSQMEG-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80073;MM80073;C#CC(=O)ON(C=O)CC;VQQPZGRHKZDJBT-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80074;MM80074;C#CC(CC)CC(=O)CO;DMJLBCKOPZZBOG-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80075;MM80075;N=C(N)C#CC(F)C=O;FTVYQAZKLXCDJW-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80076;MM80076;CNC(C)CC(C)(F)CO;BRFTWDUFLKFZTA-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80077;MM80077;C=C(C)C(C)(CN)C(C)N;JMFKLYFWXZRYQL-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80078;MM80078;C#CC(CO)CC(=O)OC;ZWQSNYQICDPZIT-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80079;MM80079;C#CC(CF)CC(=O)OC;IVSKFQYKCMMKQZ-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80080;MM80080;CN=C(CO)NCCF;DKAOVAPOBSQFQR-UHFFFAOYSA-N;134.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80081;MM80081;C=CC(C)CC(N)C(C)N;UQLQJVNJEHNZCO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80082;MM80082;C#CC(=N)NC(C)C(C)N;GLLQPLRSZWJBDY-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80083;MM80083;C=CC(=N)NC(=N)C(=C)C;URLPNYIOMJYQCQ-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80084;MM80084;C=C(C)CCC(N)C(C)N;CYUCEMIBVVUXKN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80085;MM80085;C#CC(CC(=O)NC)OC;CKLRLVUWNKJHSI-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80086;MM80086;COC(C#CC=NN)CO;SGFXPXBXNCSXPD-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80087;MM80087;C=C(C)C(C)NCC(C)N;JVXBQVOCXUKVIT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80088;MM80088;C#CC(CC)NC(=O)NO;FAQLJZNVLOXORD-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80089;MM80089;C#CC(CC)NC(=O)OC;WEQUQWCJSKUDGB-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80090;MM80090;NN=CN=CN(O)C=NN;XMMIGPRNFTWRHS-UHFFFAOYSA-N;144.14;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80091;MM80091;CC(N)C=CC(C)N(C)C;WYEYDTQDUFSROQ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80092;MM80092;C=CCCN(O)C(=N)NN;UYPBSKVQTCBFOY-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80093;MM80093;C#CC(=N)NCC(C)O;UPLVKPZFWSMMOQ-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80094;MM80094;C#CC(CC)OC(=O)NO;DEHOKDMUOVPVED-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80095;MM80095;C#CC(OC)OC(=C)CO;ASJDDGUUWZBCAL-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80096;MM80096;C#CC(OC)OC(=O)CO;BXMGLFZXFORBFC-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80097;MM80097;C#CC(OC)OC(=O)CF;CSGVRMKZXOGYKU-UHFFFAOYSA-N;146.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80098;MM80098;CC=NOCOC(=O)NC;FUXRZZGQNULPIS-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80099;MM80099;C=C(C(=N)N)C(N)=O;SEEPYTGGARRMEW-UHFFFAOYSA-N;113.12;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80100;MM80100;C=CC=NNCC(=O)C#N;KYIGQPPMTDCRDQ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80101;MM80101;C#CC(OC)OC(=O)NC;DQZBDBIJRGSQGA-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80102;MM80102;C#CC(OC)OC(=O)NN;GBAUKBHEYZIPNP-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80103;MM80103;C#CC(OC)OC(=O)NO;VFVOKVLIAZXXSY-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80104;MM80104;C#CC(OC)OC(=O)OC;NJMKSYWHAOHKME-UHFFFAOYSA-N;144.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80105;MM80105;C#CC(CF)CC(=O)C=O;VUOVDBWYFFPYTC-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80106;MM80106;C=CNC(=N)NN=CCC;HBJPGRITCAMRCG-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80107;MM80107;C#CC(CC(=O)C=O)OC;HLHOICOAMNVSME-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80108;MM80108;C=C(CCCO)C(C)NC;RAGZYXIDUDUUEG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80109;MM80109;C#CC(CC)NC(=O)C=O;YJIDIZVNNPSTRW-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80110;MM80110;C#CC(CO)OC(=C)C=C;AMFVCSFGXLAGNS-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80111;MM80111;C#CC(CO)OC(=C)C=O;WWGIESASRINHAS-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80112;MM80112;C#CC(CO)OC(=C)C#N;FCNCZQBSXOYUGD-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80113;MM80113;CC(C=CF)CN(N)C=N;ICULPONCIMKTQE-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80114;MM80114;C#CC(CO)OC(=O)C=C;BPAKKGFJMUMYAL-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80115;MM80115;C#CC(CF)OC(=O)C=O;DZAGUJJJJVENOF-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80116;MM80116;C#CC(OC)OC(=C)C=O;JQRVXKMLKSGWAH-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80117;MM80117;C#CC(OC)OC(=O)C#N;TWWDOGJHJCRJSQ-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80118;MM80118;N=CN(C=O)CCO;NTJCSGWFXUDAGN-UHFFFAOYSA-N;116.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80119;MM80119;C=CC(N)C=C(C)CNC;CCJMUIIVENQEMJ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80120;MM80120;C#CC(=O)OC(C#C)CO;NUJBDOITUKXNBD-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80121;MM80121;C#CC(=O)OC(C#C)OC;CKZXYHFEAHYACD-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80122;MM80122;C=C(CO)CC(C#N)C#N;AMPWXBLXVBBUJN-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(2-oxobutyl)propanedinitrile;MM02927;CCC(=O)CC(C#N)C#N;ACJKSOKIWJNWTA-UHFFFAOYSA-N;136.15;1.02;14596095;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80123;MM80123;CNC(=O)CC(C#N)C#N;JUSMKRRVWMOLDN-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15818;MM15818;C=C(CC(C=O)C=O)OC;LVHWBQADZFLRHZ-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80124;MM80124;C=CC(C=O)CC(=O)OC;WRAYMILLEVPNIJ-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02979;MM02979;COC(=O)CC(C#N)C#N;LNILZLQJSFRHRQ-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80125;MM80125;CC#CC(CCO)=NNC;YYBOGFFTBGMQQJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80126;MM80126;CCC(=O)NC(C#N)C#N;SFHFCULUPRGJLV-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80127;MM80127;C=CC(=NNC)C(F)C=O;BUDQYFBCQDFVPH-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80128;MM80128;C=NOCC(=O)C(=C)F;PQVSUVZTVWIHNA-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80129;MM80129;C=C(C=NNC)OCC=O;RCRBBXVBVWVZJC-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80130;MM80130;CNC(=O)NC(C#N)C#N;QBXXADJLCFFXFA-UHFFFAOYSA-N;138.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80131;MM80131;C#CC(N=CNN=C)=NN;QCMWBMMISWERMD-UHFFFAOYSA-N;137.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80132;MM80132;C=CC(C#N)NC(=O)OC;ZCKVYXJYRIUXJR-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80133;MM80133;C=C(CO)OC(C#N)C#N;KXGDQIIWRNZDIT-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80134;MM80134;C=C(C)CC(N)C(N)CC;DKIPLJFSRAPOIC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80135;MM80135;N#CC(C=O)OC(=O)CO;QFLRNSRQYFJDLT-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80136;MM80136;N#CC(C#N)OC(=O)CO;OQAAXCFOAGBZHJ-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80137;MM80137;C=C(C)N(C=N)NC(C)C;YRAYMCKFVDWTHU-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80138;MM80138;CNN=CNN=COC;VKFTYJMKECZIPA-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80139;MM80139;CNC(C)C(C=O)C=CF;BRXMVTPUVQESLC-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80140;MM80140;CNC(=O)OC(C#N)C#N;SWLPFPSVLXQGHP-UHFFFAOYSA-N;139.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80141;MM80141;COC(=O)OC(C#N)C=O;KXCBNTDOMVSBJN-UHFFFAOYSA-N;143.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Dicyanomethyl Methyl Carbonate";MM02495;COC(=O)OC(C#N)C#N;DTYIHKZTGFDVPJ-UHFFFAOYSA-N;140.1;0.19;123444139;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80142;MM80142;C=CC(CC)C(N)C(C)N;MKYIIJDGQYTNOX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80143;MM80143;CC(N)C(N)CCC=CF;KGEDIGMHWMIBJO-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80144;MM80144;CC(N)C(C)OC=CCN;CBIBKDMSFWRAOQ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80145;MM80145;CC(C=O)C=NNCC#N;JAKUQSQXSPUNDK-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80146;MM80146;CNCC(C)C=O;QAAICYDCLDIDEZ-UHFFFAOYSA-N;101.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80147;MM80147;C=NN(C)C(C#CC)=NN;QYMDIJJMNAXSQI-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80148;MM80148;C=CN(C=O)CC(=C)OC;AORLUOPFCQFTCL-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80149;MM80149;COC(=O)CN(C=O)C=O;IAPJLCPOFRVRFG-UHFFFAOYSA-N;145.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80150;MM80150;C#CC(=O)C=C(N)NN=C;SLJJHZRXLJNTEH-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80151;MM80151;C=C(C(=N)NC=N)C(C)C;ZSUIYJOTSTYOPT-UHFFFAOYSA-N;139.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80152;MM80152;C#CC(C)C(C=O)CNC;WKWUMHRDHUSWGS-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80153;MM80153;CN=C(NC)NN=CCN;GNZQNYPTTXEXMW-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80154;MM80154;O=CN(C=O)NC(=O)NO;XIDNFBWGAJVNBK-UHFFFAOYSA-N;147.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80155;MM80155;C=C(CN)CCC(=C)CN;KCAVQNOOEBXNMW-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80156;MM80156;C=C(CN)CC=C(C)CN;PFYVNIYXGSTAHR-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80157;MM80157;C=CC(=N)N(C)C(=N)C=C;BKRYYGMGYZQYRA-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80158;MM80158;CCC(=O)ON(C=O)C=O;BENGPZFSBUXCRI-UHFFFAOYSA-N;145.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80159;MM80159;C=C(CC=NN)CNCC;YZRHNVZEWWHXDO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80160;MM80160;C=CC(=NN)ON=C;FMMDDPAIVYTWPP-UHFFFAOYSA-N;113.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80161;MM80161;CCC(N)COC=CCN;BWEARHBIIQBISC-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80162;MM80162;C=CC(C=O)CNCC;CBVNBOQIGCOKSQ-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80163;MM80163;C=CN(C=O)OC(=O)NC;FQDSBWPSJUBGQS-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80164;MM80164;C=CN(C=O)OC(=O)NO;MVVAVFPPKMWMSC-UHFFFAOYSA-N;146.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80165;MM80165;NNC(=O)ON(C=O)C=O;WBDFLVYLIQAZBN-UHFFFAOYSA-N;147.09;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15679;MM15679;C=C(C#N)CC(C#N)C=O;VYIBSRMYGAZPAH-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15681;MM15681;N#CC(=O)CC(C#N)C=O;VXVQSKNKMQNPDY-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16581;MM16581;N#CC(=O)CC(C#N)C#N;IOIKPSLNLDWRFX-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16024;MM16024;N#CC(C#N)CC(=O)C=O;WMACHTSYLFZWHE-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80166;MM80166;CC(=CCC=CCN)CN;WQGIMJADSZNQKH-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80167;MM80167;C=CC(=CN)C(=NN)OC;IPMQTLPDKKNGEQ-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80168;MM80168;CNN=CNC(=N)NC=N;TYPSICAUZAKTDL-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80169;MM80169;C=CN(C=NC=NN)N=C;JMQDZKYQZDJEFY-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80170;MM80170;N#CC(=N)NC(C#N)C#N;FCEVHNFTVZXURG-UHFFFAOYSA-N;133.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80171;MM80171;C=CC(C=C)NC(=O)C=O;QLPJGJJGGQOBED-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80172;MM80172;C=CC(=O)NC(C#N)C#N;NIVODAVHDRBMRP-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80173;MM80173;N#CC(C#N)NC(=O)C=O;IQXKKLBWFQSRMN-UHFFFAOYSA-N;137.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15785;MM15785;C=C(C#N)OC(C#N)C#N;OSNMWICSKUCJAN-UHFFFAOYSA-N;133.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15787;MM15787;C=C(C=O)OC(C#N)C#N;GTAMVOUKTZZCQR-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15672;MM15672;C=CC(C=O)OC(=O)C=O;WLZKPLLFAVYFSB-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Dicyanomethyl Prop-2-enoate";MM02436;C=CC(=O)OC(C#N)C#N;NXSVCLVLRVNERG-UHFFFAOYSA-N;136.11;0.13;57793798;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15658;MM15658;N#CC(C=O)OC(=O)C=O;PLCDYABFOVHBOK-UHFFFAOYSA-N;141.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16586;MM16586;N#CC(=O)OC(C#N)C#N;POYBHJZLVZOQDX-UHFFFAOYSA-N;135.08;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15970;MM15970;N#CC(C#N)OC(=O)C=O;IPNBSOBJCUZRFW-UHFFFAOYSA-N;138.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80174;MM80174;C=CC(CCN)N(C)CC;GBGZATYLPCMCQS-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80175;MM80175;C=CC(N)C(CN)C(C)F;NORWCMPYBSQCES-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80176;MM80176;C=C(C#N)CN(C=O)C=O;BXLZYBBTOJXPST-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80177;MM80177;C=CC(=O)CN(C=C)C=O;CMHULRGGBXJOEK-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80178;MM80178;C=CCC(C)=NNC(=N)N;WZNHURFCCJFZBL-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80179;MM80179;C=C(CN)C(NC)C(C)C;CQARWQAXPANCTB-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80180;MM80180;CN=C(CCOC=O)NN;UZYIUABVMJGTPA-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80181;MM80181;CC(=NN)N=C(C)NC=O;BIQRTNTWDNPVKQ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80182;MM80182;CN(N)C(=NN)C(=N)N;QBESHBPZLLFLOD-UHFFFAOYSA-N;130.16;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80183;MM80183;CN=C(C=CN)NN;NRNQDPRIMCQGPJ-UHFFFAOYSA-N;114.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80184;MM80184;CC#CC(C)C(=N)NC=O;ILCRSUZABLQADO-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80185;MM80185;N#CC(=O)NN(C=O)C=O;KOMXLERQMXXFCX-UHFFFAOYSA-N;141.09;-1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80186;MM80186;CCN(C)CC;GNVRJGIVDSQCOP-UHFFFAOYSA-N;87.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80187;MM80187;C=C(F)CCNC;MWIBZIDLHZUOGR-UHFFFAOYSA-N;103.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80188;MM80188;CCC(N)C(C)N;ZNUSBSVDROQNFN-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80189;MM80189;C=CC(CC)NC;JBDIXYSJNUCUIC-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80190;MM80190;CNCCC=NN;IWOUQLZYYHRDQT-UHFFFAOYSA-N;101.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80191;MM80191;C#CC(=O)CC(C=O)C=O;IUTAMSGTCXHNBK-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16014;MM16014;C#CC(=O)CC(C#N)C#N;WWRBKVIIQKZMMA-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80192;MM80192;CC(=O)OC(CCN)=NO;BZJGIMODMRORDZ-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80193;MM80193;CC(N)(CN)CCF;IRCMSTWUUJMAAI-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80194;MM80194;C#CC(C#C)C(=O)NN;CRGFAWPVIBRVPG-UHFFFAOYSA-N;122.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80195;MM80195;C#CC=COCC(=O)NN;INQMOQSHONEXFE-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80196;MM80196;C#CC(=O)NC(C#N)C=C;ZFRAKRSFGAERFG-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80197;MM80197;C#CC(=O)NC(C#N)C#N;LFYFAVVFKPYQBR-UHFFFAOYSA-N;133.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15788;MM15788;C#CC(=C)OC(C#N)C=O;WJJWZRIXZXTRLE-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15786;MM15786;C#CC(=C)OC(C#N)C#N;NTRQLNWJZQRTLT-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15659;MM15659;C#CC(=O)OC(C#N)C#N;WUJUBJMHZCEQHX-UHFFFAOYSA-N;134.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80198;MM80198;C#CC(=C)CN(C=O)C=O;BJSNSESWIBSQMT-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80199;MM80199;C#CC(C)(C#C)C(=O)NN;VPCOPLHBBLVRHR-UHFFFAOYSA-N;136.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80200;MM80200;C#CC(=O)CN(C=O)C=O;XSDYIBYIMYOKMD-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80201;MM80201;CNCC(C)(C)OC;UPQXFVNGCXRRTR-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80202;MM80202;CC=CC(=N)NC=N;LOKTUSPMXOJURT-UHFFFAOYSA-N;111.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80203;MM80203;C=C(C=NN)NC=N;AFXFTBRSBGGORX-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80204;MM80204;CCCC(N)C(C)N;CZQPFXAHULAFHQ-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80205;MM80205;NCCC=NN=CC=NO;YZAKHRCXDPJXRB-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80206;MM80206;C#CC(=O)NN(C=O)C=O;XQVUPVBXXSYZTD-UHFFFAOYSA-N;140.1;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80207;MM80207;CC=C(C)N(N)C=N;ZWRDZTJNEQOUFM-UHFFFAOYSA-N;113.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80208;MM80208;C#CC(=O)ON(C=C)C=O;PCUDLYLGXACZPI-UHFFFAOYSA-N;139.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80209;MM80209;C#CC(CN)CNC;PUPGMICYBPYUPY-UHFFFAOYSA-N;112.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80210;MM80210;C#CC(CN)C(C)N;VJIHJSHQAHJQNV-UHFFFAOYSA-N;112.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80211;MM80211;C#CC(=O)ON(C=O)C=O;UWINYCGKOVPQOA-UHFFFAOYSA-N;141.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80212;MM80212;C#CC(C=C)CC(=O)CO;GKAQLDAEWOLAMM-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80213;MM80213;C#CC(C=O)CC(=O)CF;PGLBAGCRWRWUGR-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80214;MM80214;C#CCOC(C)C(=O)NN;XPQUKTUZEPSGNA-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80215;MM80215;CNC(=O)NC(=N)N;CEEWPWGDAOQHCX-UHFFFAOYSA-N;116.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80216;MM80216;C#CC(C#N)CC(=O)NC;TXSJHDYTFINRRJ-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80217;MM80217;C#CC(C=O)CC(=O)OC;JCXGRLPVFIUWIG-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80218;MM80218;CCCNCCNC;CHKWHTPECBLEBR-UHFFFAOYSA-N;116.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80219;MM80219;C#CCC(OC)C(=O)NN;LVYGUWBRQHGIFZ-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80220;MM80220;C=CC(=C)OCC(=O)NN;RHQCMBCUUHJUCH-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80221;MM80221;C#CC(C=C)NC(=O)OC;GRHLGUCYMPHUMV-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80222;MM80222;C#CC(C=C)OC(=C)CO;SZPLNIJDCRWBHB-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80223;MM80223;C#CC(C=O)OC(=C)CO;OQWWJNKIBVIICQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80224;MM80224;CNCCC=NNC;AMPMEIBCPDQMLW-UHFFFAOYSA-N;115.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80225;MM80225;C#CC(C=C)OC(=O)CO;NNRGODAHAYXDHP-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80226;MM80226;C#CC(C=O)OC(=O)CF;KXUOTOUVMVKQEJ-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80227;MM80227;C=NN=CCCNC;VMMHWHJHIHMLCH-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80228;MM80228;C=CC=COCC(=O)NN;LPCLOWATBAMHER-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80229;MM80229;CC(C)C(C#N)C(=N)N;DXRVPOFORGJMGE-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80230;MM80230;C=COC(CC)C(=O)NN;FMPCMRRVPGJVGS-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80231;MM80231;CNCC(C)C(=O)CC#N;KSYKBCBQIYPBPR-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80232;MM80232;CC(N)CC(F)(F)CO;RVOUCRKPNKMQQX-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80233;MM80233;C#CC(C=O)OC(=O)OC;HEBYGUMXBJDKIO-UHFFFAOYSA-N;142.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15597;MM15597;C#CC(C#N)CC(=O)C=O;IGQMMLKJKKHEQM-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80234;MM80234;CC=C(C)OCC(=O)NN;OXNDJPOTTDFCMP-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80235;MM80235;C=NNC=CC(=O)CC#N;TYKZQFGWIZJRIB-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80236;MM80236;C=NN=CC(O)C(C)=NN;GTXSUUYOVBHFND-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80237;MM80237;CN(C)C(C#N)(C=O)CO;OJOYHOGFVZWHEQ-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80238;MM80238;C#CC(C#N)NC(=N)C#N;JQGQZVQPSYPUJF-UHFFFAOYSA-N;132.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80239;MM80239;C#CC(C=C)NC(=O)C=O;XBEYFQZWEOIHTK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80240;MM80240;C#CC(C=C)NC(=O)C#N;ZPSNMDZTLXKGFI-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80241;MM80241;C#CC(C#N)NC(=O)C=C;MLTVBFHJSRWKIM-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80242;MM80242;C#CC(C#N)NC(=O)C#N;YUORCRSKFGSKCJ-UHFFFAOYSA-N;133.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80243;MM80243;C#CC(C#N)OC(=C)C=O;SACJPCUGURVUPY-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15628;MM15628;C#CC(C#N)OC(=O)C=O;MYJUBPNJSJRNCW-UHFFFAOYSA-N;137.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15647;MM15647;C#CC(C=O)OC(=O)C#N;RHAJLSPKPGKWLO-UHFFFAOYSA-N;137.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15686;MM15686;C#CC(=O)OC(C#C)C=O;SHTFYFLQMITPLD-UHFFFAOYSA-N;136.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80244;MM80244;C#CC(C#C)CC(=O)CO;YCYMNRZVNJEKHJ-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80245;MM80245;CC(C)C(C#CCO)=NN;GZGSXIJWNOIBEB-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80246;MM80246;C#CC(C#C)CC(=O)NO;CXUGOAQAXSWXOF-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80247;MM80247;CNCCC(F)=C(F)CO;FLUGNDZXZMKXKX-UHFFFAOYSA-N;151.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80248;MM80248;C=C(CNC)C(C)(C)N;LWUCLXOEMUCBIW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80249;MM80249;C#CC(C#C)NC(=O)NC;ZUISWPGPWXDUQU-UHFFFAOYSA-N;136.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80250;MM80250;C#CCC(=NN)C(O)CC;QABYXXFSGFBEFF-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80251;MM80251;C#CC(C#C)NC(=O)NO;NOMMFOGMUWZODB-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80252;MM80252;CNN=CC#CCO;CEFMNODRKRTMSB-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80253;MM80253;C#CC(C#C)NC(=O)OC;IFSPMDMRFFKOEA-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80254;MM80254;C=CC(C)(CN)C(C)N;MRYRBVUAHVADQZ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80255;MM80255;C#CC(C#C)OC(=O)CO;CFXSWBQZVDYJKH-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80256;MM80256;C=CC(C)CN(N)C=N;VFPQOCUMYZSXGT-UHFFFAOYSA-N;127.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80257;MM80257;C=CC(=NC)NC(C)=N;BXZJGPPTWSCCEE-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80258;MM80258;CON=C(C=CCO)CO;GPJUTUAGXGRGOZ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80259;MM80259;C#CC(C#C)OC(=O)NC;QJPRANOYMHLVLA-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80260;MM80260;C#CC(C#C)OC(=O)NN;VLDWZXKCNRNSMN-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80261;MM80261;C#CC(C#C)NC(=O)C#N;RKHGBRWXPPTIMG-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80262;MM80262;C#CC(C#C)OC(=O)C=O;BCYDHQHIIZSBHY-UHFFFAOYSA-N;136.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80263;MM80263;C#CC(C#C)OC(=O)C#N;MCABMTOQMUJDHI-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80264;MM80264;CCNCCNC(C)C;XKPFASDYQGMBQB-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80265;MM80265;C#CC(=O)NC(C#C)C#C;OBOPOLJMZHNNGU-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80266;MM80266;C#CCCONC(C)=N;PKWGAKVITMSZBY-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80267;MM80267;C=NN=CCC(CO)=NN;GAUORAJGMPFJRB-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80268;MM80268;CNCCC=NN(C)C;MCRCRXYOBQLWHB-UHFFFAOYSA-N;129.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80269;MM80269;CC=NNC(=CC#N)CO;XZSGBGADUGHXIM-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80270;MM80270;C=C(C=NNC)NC=N;NAQCDOOWFRCCNY-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80271;MM80271;C=CC(C)C(N)C(C)N;CVURORKADSKBCA-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80272;MM80272;C#CC(C=C)=NOCCO;NZSRHRSFTYBGIQ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80273;MM80273;C=CC(=C)C(O)C(C)NC;WGUVEJVJTGRIQC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80274;MM80274;CC(N)C(N)CCCF;QOICFLFWEVQMFW-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80275;MM80275;CC=C(C)OC(CO)CO;PKTIGSOSGQAACS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80276;MM80276;CCC(N)C(C)(O)CCF;XEXAMEMDRADJOE-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80277;MM80277;CC(=CF)CC(C=O)CO;ULYAZEYEXQOCHI-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80278;MM80278;C=CCC(C)(O)C(N)CC;CVOSIAAVEQLLPE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80279;MM80279;CNCCC(F)=C(C)C;YQFRLHQQHOPJMR-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80280;MM80280;C=C(CO)C(F)C=NNC;QOLLOVBYQPMCTG-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80281;MM80281;CC(F)CC(C)(N)C=CF;OAHYWTQULSHYCS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80282;MM80282;CC(C#CC(C)(C)N)CN;MBUWNRVOEODFRQ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80283;MM80283;C=C(NC(=N)NO)C(C)O;OUCTYQBRCBWABE-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80284;MM80284;COC(C=O)CC(C)=NO;REWVUZNIFBQLAC-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80285;MM80285;COC(C#N)CC(C)=NO;HNOKIVCMOQBACP-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80286;MM80286;C=C(C)C(N)C(C)(N)CC;FEXDDIXXMPGOCV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80287;MM80287;CC(=NO)NC(C#N)CO;RHBSDFCNMLRKRL-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80288;MM80288;C#CC(=C)C(C)(N)CCN;IDCUDRCVFOFQOB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80289;MM80289;C#CC(CCO)=NN;CTDFHFKOVXDMBC-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80290;MM80290;COC(C#N)OC(C)=NO;FXVZMCROWIJXFF-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80291;MM80291;C=C(C)C=C(F)CCNC;BRWJPTMRMTVROS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80292;MM80292;C=NN(CC)CC(C)=NO;SNYASZBXIKCMOH-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80293;MM80293;CC(C)(CF)CNCCN;ZQRRQXMQXTWXOG-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80294;MM80294;CCN(C=O)OC(C)=NO;NJYQTUJDLRXKPN-UHFFFAOYSA-N;146.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80295;MM80295;C#CC(CO)CC(C)=NO;UPVUKPMOOFMFFG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80296;MM80296;C#CC(CC(C)=NO)OC;FOUOXPZTEBUHON-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80297;MM80297;C=CCC(O)C(N)C(C)C;LBKKZAPTSBYRME-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80298;MM80298;OCCC=NOCCF;UWVRPFQNYUPIPU-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80299;MM80299;COCON=CCCC=O;MXBPKGWKUVHVAI-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80300;MM80300;CC(CC(C#N)C=O)=NO;WPYFCUXHIDMTQL-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80301;MM80301;C=CC(C#N)NC(C)=NO;VIPOMLRFWPTKRG-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80302;MM80302;CC(C)(O)C(N)CCCF;FWDDAYBPMAUHSG-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80303;MM80303;CC(=NO)NC(C#N)C=O;LPWDEJIVNKVTEA-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80304;MM80304;CC(=NO)NC(C#N)C#N;ADFQEKZJZBIASX-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80305;MM80305;C=C(C)CNC(C)C(C)N;FYYOETXEYQMYDC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80306;MM80306;C=C(C=O)NC(=N)NCC;KMIDANHTQGSCQD-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80307;MM80307;C=C(CN)C(F)=CC(C)N;CYJWOEKCJIUSOE-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80308;MM80308;N=C(N)C#CC=CC=NN;CHWAYXDTHSFKDE-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80309;MM80309;C=CN(C=O)OC(C)=NO;HRLDWIDANBFKSU-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80310;MM80310;C#CC(C=O)CC(C)=NO;GBHHAKOFVIHHMP-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80311;MM80311;C#CC(C#N)NC(C)=NO;UVDHIOWGWTWGNY-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80312;MM80312;C#CC(C#N)OC(C)=NO;QHHDRSLAHRFLBJ-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80313;MM80313;C=NNC(=NC=NN)OC;NWGRSFLIRCXRCA-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80314;MM80314;C#CC(C#C)OC(C)=NO;CFPZIHMPMMUVTA-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80315;MM80315;C=C(C=NNCC)NC=N;GFKYEOUJHINXHO-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80316;MM80316;CC(C=O)NN=CCC#N;KERVPKZVZAEPQI-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80317;MM80317;C#CC(=C)CC(O)CNC;KNHCJKPBGWEHRM-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80318;MM80318;C=CCN(C)C(C)CCN;QLAGTTGPILGRBH-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80319;MM80319;C=NNC=C(C=O)N=O;ZLRRHMJRKBFLKB-UHFFFAOYSA-N;127.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80320;MM80320;C=CCCCC(N)C(C)N;PCOLTYICPHBRCK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80321;MM80321;C#CCCCC(N)C(C)N;QDYZXLHFKSJSGD-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80322;MM80322;C=NNCCC(=O)C#N;HFWWURKFRYBQRD-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80323;MM80323;CC(CF)CC(CO)=NO;PEUBIPRDZIOCRT-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80324;MM80324;C=C(C)C(=C)CNCCC;COLFSDDOYCMXBQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80325;MM80325;C#CC(C=C)(CF)C(=N)N;OPSZSDLBSYPIIO-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80326;MM80326;C=NNC=C(C=O)CC#N;YZBVNKBOJCZUFR-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80327;MM80327;CC(CF)CC(=NO)NO;MNQRONLGBQOQIF-UHFFFAOYSA-N;150.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80328;MM80328;C#CC=NN(C)C=NN;NCMRURDLVYJHER-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80329;MM80329;CCOC=NNC;PXSLKRFYCJMZSB-UHFFFAOYSA-N;102.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80330;MM80330;CCNN=COC;NCZMWGAVNGGMDA-UHFFFAOYSA-N;102.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80331;MM80331;CC=NN(C)C(=N)C(C)=O;JWJOREJQPNQHGM-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80332;MM80332;C=NOC(C=C(N)N)=NN;BVKKMHUYMFGVCU-UHFFFAOYSA-N;143.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80333;MM80333;CNCCC(F)=CCC#N;DJNMGWUZTHCFDT-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80334;MM80334;COC=NN;MSNVNCUCJANCKL-UHFFFAOYSA-N;74.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80335;MM80335;C=NOC(C=NN)OC=O;PRXONAKLZVXFNA-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80336;MM80336;C=CC(=C)CC(O)CNC;RIZXDOKDUBMQFT-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80337;MM80337;C=C(CF)CC(O)CNC;FSFLLRRMGJURDM-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80338;MM80338;CNCC(O)CC=C(C)C;VENPDGQTOAAQLF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80339;MM80339;C=COC(C=C)C(=O)NN;ZLSOLXFXCPFNFF-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80340;MM80340;C=COC(C)(C)C(=O)NN;VRKVUJZZDFLNCO-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80341;MM80341;COC(C)(C)C(=O)NN;XPEUBMJVIQJQIQ-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80342;MM80342;C=CN(C(=N)N)C(=O)NC;ODPREGSRXHEHAE-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80343;MM80343;N=C(NN)NN=C(N)NN;ZUEJAAICFXQKHN-UHFFFAOYSA-N;146.16;-3.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80344;MM80344;CC#CC(=CCO)NC=N;FGCGVHVXRXPFBT-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80345;MM80345;CNCC(C=O)CCF;GPCPKYRCXJFFIE-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80346;MM80346;CCCNC(C)CC(N)=O;NVMDMANHUPIDBI-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80347;MM80347;CC#CC(C)NNC(C)=O;LHLVUJAUYDGSNH-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80348;MM80348;CCC(C)NC(=NO)OC;ZGHPDTDLAWIRPB-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80349;MM80349;C#CC(O)C=NNC;LLLGQAAVHMGYKH-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80350;MM80350;CC=C(CO)OC(C)OC;FWYSKFBHMGOXGZ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80351;MM80351;C=CNC(=N)C#CCC=O;TTZMTSCNRSFQNC-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80352;MM80352;CNC(=NO)OC(C)CO;GDNNONCBDRDBHS-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80353;MM80353;C#CCN(C=N)CCC=O;VAZKINZWUNIMIL-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80354;MM80354;C#CCNC(C)C(C)CN;JFGBNORROWKOKN-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80355;MM80355;C=C(CC=NN)C(C)NC;IONBWLONRWXYMO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80356;MM80356;C#CC=CC(=N)N(C)NC;AINRSHZCNXDXNZ-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80357;MM80357;CCC(=CF)CC(O)C=O;GTXYDKIWYHVJPV-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80358;MM80358;CC(C=O)CC(CF)=NO;TVACTFJYBMAXJM-UHFFFAOYSA-N;147.15;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80359;MM80359;C=CC(C)=C(F)CCNC;MJKWMXXKTCSKJN-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80360;MM80360;CNCC(C=O)CCC#N;LFRGOLGRKJODIH-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80361;MM80361;C#CC(CC=O)CNCC;FKTMNYRJLJBVLP-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80362;MM80362;N#CCNCC(=O)C(N)=O;XUSKINAHBHNHEV-UHFFFAOYSA-N;141.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80363;MM80363;CC(=CF)CNCCCN;YUCYXHHNIMNZKC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80364;MM80364;CNCC(C=O)CCCF;WRUJGJSOXKVZEU-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80365;MM80365;CC(C)N(NC=O)C(C)C;RCYKKVZDPPOLKZ-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80366;MM80366;C#CCC(C#N)C(=N)NC;HUHAQHFPOJAQQO-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80367;MM80367;CNC(=O)C(F)=CC=NN;WVITXTJFPQEWHP-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80368;MM80368;CC(C#N)NC(=NO)NO;SGDOFNJBAXSNHC-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80369;MM80369;C=CC(C)NC(=NO)OC;KCTFIERFUKVPDB-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80370;MM80370;COC(=NO)NC(C)C=O;SPBQNQLKOYAVRV-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80371;MM80371;CC(C#N)OC(=CF)CO;BSSIRZIOZFXHGM-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80372;MM80372;C=NNC=NOC(N)=O;ADRDZTLOFIFVPW-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80373;MM80373;CC(C#CC(C)O)=NN;DOQIYNZZQMZIPU-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80374;MM80374;CC(C#N)OC(=NO)NO;QHWHZBQVSZIIQI-UHFFFAOYSA-N;145.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80375;MM80375;CC=C(CO)CN(C)C=O;AZTSEYIZJTVMMY-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80376;MM80376;C=C(C#CCCNC)CN;XZRPEGSNKYKCDF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80377;MM80377;C=NN(C)CC(CC)=NO;AIEWSULAJCLUCH-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80378;MM80378;CCC(C=O)CNC;AJMNFFASWPBVKT-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80379;MM80379;COCON=C(CO)NO;IQESWICEHPGAFR-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80380;MM80380;CCCC(NC)C(N)CF;VHSKCZDURNMGAL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80381;MM80381;CNC(C)C(CCF)NC;VKAIJFFBIYDNMQ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80382;MM80382;C#CC(NC=N)C(C)CF;HNZKGCVZZAKYRM-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80383;MM80383;CC=C(CN(O)C=O)OC;SVTWCBSBJJKVMJ-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80384;MM80384;CCNN=CC(F)CO;OOBQUQMECVQDFD-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80385;MM80385;C=NNC=C(C#N)CO;GWWHTBSNYHDUID-UHFFFAOYSA-N;125.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80386;MM80386;C#CC(=O)C(C#C)NN=C;NZRVDXQPOWNQIC-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80387;MM80387;N#CC=CN=C(NO)NO;JKMUPHWUWCDGCO-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80388;MM80388;C=NOC(C)C#CC(N)=O;OWTJIRMXYDOVGU-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80389;MM80389;NN=C(CO)CC=CCF;SYZDIOVJVUINIV-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80390;MM80390;CC=NOCC(C#N)CO;IXRYEOCFEGXQJD-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80391;MM80391;CNC(C=CF)C(C)CN;GVJFHPFDFSDRBJ-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80392;MM80392;C#CCC=NOCCO;WCCJMIUAEYWVSU-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80393;MM80393;C#CC(C)CC(=CF)CO;GDZQVUIHYIIBES-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80394;MM80394;C=CC(C=NN)C(=N)NN;VOOSLJLRYDEPQG-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80395;MM80395;C#CC(O)CC(=CF)CC;JFSSEBUIMGINKA-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80396;MM80396;C#CC(O)CC(=CC)CO;WMXGUVWLWIBPID-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80397;MM80397;C#CC(C)CC(CO)=NO;IASBBVUIUSLKMY-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80398;MM80398;C=NOC(C#N)C(=C)CO;IBGPIGODKGQJNO-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80399;MM80399;CNC(=NNC=N)N(C)N;FWUWDVHNZJMZBY-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80400;MM80400;CC(O)CNC(N)=CC#N;AOMUYYQAEFIPGC-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80401;MM80401;C=C(C)N(N)C(=NN)NN;WCSKDUPDOVQUGI-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80402;MM80402;CNC(=NC=N)C(=O)OC;XBNIKICGXUNNOU-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80403;MM80403;CC=CC(C=O)C(C)NC;NCBFZERHDBHNGP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80404;MM80404;C=CC(C=O)C(C)NC;ZOFWGCXBDQGLNW-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80405;MM80405;CNCCC(=CC=O)NC;BDWZRRUBSOMTIO-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80406;MM80406;C=NN(C=NC)C=NN;JABLEXIAVRKNPL-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80407;MM80407;C#CC(C)NC(=NO)OC;GSNGJQAWHRFCTF-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80408;MM80408;CN(C=NC=NN)OC=O;IKZQNQLVJRZLPK-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80409;MM80409;C=NNCCC(F)C#N;PUACUBCTJBUXIL-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80410;MM80410;C=NNCC#CC(=O)OC;LYQAEVJLFHZDDV-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80411;MM80411;CN=C(NOC)N(C)N;CWBOTSYFWMKPRK-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80412;MM80412;C=CC(C)=NNC(=N)NC;OCXWZISTRQXAAF-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80413;MM80413;C=CC(C(C)CN)N(C)C;SHXLCSXKWDFPOR-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80414;MM80414;C#CC(CN)C(N)CC=C;ZQDUUKZCMPMDGT-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80415;MM80415;CCC(O)CC(C=O)=CN;LWYFMMFIMXHHMO-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80416;MM80416;CNCCC=NOCOC;LBNCZAWXALBEQE-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80417;MM80417;C=CC(CC(O)CF)=NO;XZKUOXHDCCCFNL-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80418;MM80418;CNCCC=NOCC#N;JFKSDNCUQCLZCE-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80419;MM80419;C=NNC(C)C(F)=CF;VLLOXQNXZXRZSW-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80420;MM80420;COC(C)CC(C#N)=NO;MAVMTBAEPQFBCT-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80421;MM80421;CN(N)C(=NN)N(C)N;HMGOMBALIXGWFO-UHFFFAOYSA-N;132.17;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80422;MM80422;CC(C)=NNC(=O)N(C)N;XMIBEIOMGWIFLN-UHFFFAOYSA-N;144.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80423;MM80423;CCCOC(=NO)NC;WQCYCBMRJHZMEW-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80424;MM80424;CC(CO)OC(C#N)=CF;MQIUYQKGWJSVJG-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80425;MM80425;C#CCON=CCCNC;NIUPXEMDPNWRQG-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80426;MM80426;CN(C)N=CNN=CC#N;KKSKCRWYTBQJCV-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80427;MM80427;C=CC(=NO)OC(C)OC;XZFJQNNOZVTTEF-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80428;MM80428;CNCCC=NN=CCN;HTHXOCRSWUOKSM-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80429;MM80429;C#CC(O)C(C#N)NN=C;UJSSIRYMXSXPOI-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80430;MM80430;C#CC#CC(O)CON=C;GWYXMGPUVOSZLV-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80431;MM80431;N#CC(=CF)CC(O)C#N;WDTYJOUXKWGSLO-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80432;MM80432;N#CC(F)CC(C=O)=NO;BIPDRZWHUKUENY-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80433;MM80433;CC=NOCC(O)CC#N;WZEBTAYMLCVBCO-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80434;MM80434;C#CC(C#N)(NC)C(N)=O;UFHLOMMGTUHDLQ-UHFFFAOYSA-N;137.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80435;MM80435;CNN(C)C(=NN)NN;QBDJDMVIEXKWFB-UHFFFAOYSA-N;132.17;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80436;MM80436;CNN=C(NN)N(C)N;JAGOPNHABYKYCB-UHFFFAOYSA-N;132.17;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80437;MM80437;C#CC(O)CC#CC=NN;NVSWWLALCPZTMF-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80438;MM80438;CC(C=O)N=C(C#N)NO;UKWLLAVIOOFIHW-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80439;MM80439;CC(C#N)N=C(C=O)NO;WFGIEDGTNYWVJT-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80440;MM80440;CC(C#N)N=C(C#N)NO;LKYCPMMCLNFSQL-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80441;MM80441;CC(C#N)OC(C=O)=CN;YFTRSPHVKHAHBJ-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80442;MM80442;CC(C)N(C)C;VMOWKUTXPNPTEN-UHFFFAOYSA-N;87.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80443;MM80443;CC(C#N)OC(C=O)=NO;XSSULMFVHWHZKO-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80444;MM80444;CC1(C)CC1(C)N;JSLNMYHDORBKGU-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80445;MM80445;CC=C(C#N)CN(O)C=O;KIOOGWSOALNRKU-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80446;MM80446;N#CC(=CN)CN(O)C=O;UWNBKFDMEYESLZ-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80447;MM80447;COC(C)C(C)(C)N;ONSHSNRNRKKNRY-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80448;MM80448;CCCONC(C)=N;JCOFQNLLIJJOQD-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80449;MM80449;C=CC(CN(C)C=O)=NO;ZUUGZYGTZMKPFW-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80450;MM80450;C=CC=CN(N)C=N;OURQHRKXIJLZOL-UHFFFAOYSA-N;111.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80451;MM80451;C=CC(CN(N)C=O)=NO;VIDZFWMYGNDDPC-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80452;MM80452;C=CC(CN(O)C=O)=NN;PUXATPXEFZXFAO-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80453;MM80453;C=CC(CN(O)C=O)=NO;ZGZXFCMFYHTCDJ-UHFFFAOYSA-N;144.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80454;MM80454;C=NN(C)CC(C#N)=NO;IMBUVEZXGOIVTD-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80455;MM80455;CCNC(=N)C(=NN)NN;GKCAURBKAGXEDT-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80456;MM80456;C=NNC(=CC#N)CO;BLFDLEWLANWWHZ-UHFFFAOYSA-N;125.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80457;MM80457;CN(C=O)N=C(C=O)NO;RJIXKXZIPLXTTR-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80458;MM80458;CN(C=O)N=C(C#N)NO;WGFWSMIBPWPFEZ-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80459;MM80459;C#CC(O)CC(C=O)=CC;GWCARQNJDQFZCC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80460;MM80460;C#CC(O)CC(C=O)=CF;YQMFGFVVHAUYAA-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80461;MM80461;C#CCC(CNC)C(C)=O;HWXBJGWXDMZRCP-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80462;MM80462;C#CC(O)CC(C=C)=NO;YULFUOADCZZOFD-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80463;MM80463;C#CC(O)CC(C#N)=NO;PYSNXELVMXRNRR-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80464;MM80464;C#CC(C)N=C(C#N)NO;ZHYQDNMDLLBPQY-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80465;MM80465;C#CC(C)OC(C=O)=CN;GMPUSBQOPFIPGA-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80466;MM80466;C=C(C(C)N)C(C)(C)N;QOFMCQAOVASILH-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80467;MM80467;C#CC(=CC)CC(O)CO;BNZDMYAZJBTZEZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80468;MM80468;C#CC(=CF)CC(F)CO;FXERBTPSRJWLID-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80469;MM80469;C=C(CN)CCN(C)C;ICGKYCVMSYHXAT-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80470;MM80470;CNCC(C)C(=O)CCF;QPTYLAVNOSHHQV-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80471;MM80471;C#CC(=NO)OC(C)OC;ZXXQVORXHDEDJS-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80472;MM80472;CNCC(C)C(C)=O;VTURIGBWCJSJHB-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80473;MM80473;C#CC(=CC)CC(O)C=O;GOBDJRKGBPIFEI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80474;MM80474;C#CC(=CF)CC(O)C=O;APYDCRVBBBJSKK-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80475;MM80475;CNN(C=CC#N)C(N)=O;OHNBPKYFFLVQMM-UHFFFAOYSA-N;140.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80476;MM80476;C#CC(CC(O)C#N)=NO;MSJALMQEUCYAOO-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80477;MM80477;C#CC(CC(F)C#N)=NO;HCJDSJSBXVXOKR-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80478;MM80478;C#CCN(O)C=NC=NN;AJGKLFLFXIEAKJ-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80479;MM80479;C#CC(=NO)OC(C)C#N;AFXMSSJMUJMYLJ-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80480;MM80480;C=CC(N)C=CC(C)N;OFRJGIKBTDESQX-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80481;MM80481;CC=NOCON=CCO;GFDDJOYHESEXTC-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80482;MM80482;C#CC(CN(C)N=C)=NO;SIVZLNOYKLCSIT-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80483;MM80483;CNN=C(CC#N)CCO;POBKHDVNLHQUDF-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80484;MM80484;C=COC(=CN)C(=N)NN;GPNNHDRDEOBHRC-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80485;MM80485;C#CCNC(=N)NOC;IYLHREITNIBOBQ-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80486;MM80486;CON=CNN=CCCO;NQZVPOWJKQCLDV-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80487;MM80487;C#CC(CC(O)C#C)=NO;MXGXRYHPCHHRMB-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80488;MM80488;C=CCCNCC(=C)C;IEDGXVSYEFJCDM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80489;MM80489;C=C(C=NNC=N)NC=N;NEPMXKYGQKBJQW-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80490;MM80490;CC(CCF)NCCN;IFFJIYYZFWDZNU-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80491;MM80491;CC(C#N)C=NNCC=O;RPEBJEXNXAEQRM-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80492;MM80492;CCC(=O)CC(=CF)CO;UHVAFVPKOJLLGO-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80493;MM80493;CCNC(=N)C#CCF;ILKGBCYDQGEDRX-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80494;MM80494;CNCC#CCC=NO;UEJGJEGWXSXRAU-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80495;MM80495;CNCC=CC(C=O)C=O;XTPHWSWODMVFOU-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80496;MM80496;CC(F)C(=O)N(C)C=N;YJCXDYDXJUIVIT-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80497;MM80497;CNCCC#CC(C)C#N;ITDIJEUXQRUNNY-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80498;MM80498;CN(C=O)C(=N)C(=N)N;WQNGSJHNTAACJQ-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80499;MM80499;C#CC(O)C(=C)NC=NC;TWXQJMSKFPFXBP-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80500;MM80500;CCC(=O)CC(=NO)NO;RBSFUAPWPJWBMC-UHFFFAOYSA-N;146.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80501;MM80501;C#CC(O)(CC)CCNC;IFEBKAUOMFNFKE-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80502;MM80502;C=NNC(=NC=N)OC;LRYHEICFKPHZJK-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80503;MM80503;C=CC(O)(C=C)CNCC;XFKIEMISZZAPMU-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80504;MM80504;N=C(N)N=C(NN)NO;TUQQXJZMQKNDIP-UHFFFAOYSA-N;132.13;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80505;MM80505;CC(C)=CN(O)C(=N)NN;FDORDHMAKBJDHJ-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80506;MM80506;C#CC(OC)ON=C;DCMOHIBMJQCLOE-UHFFFAOYSA-N;113.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80507;MM80507;CC=NOCOCC=O;RDULNOOZZRSDMJ-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80508;MM80508;C=C(CO)CC(=NO)OC;GYSLWXGPWDNCCK-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80509;MM80509;C=CC(C)C(O)CNC;QVQJLEIKPPJNAA-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80510;MM80510;CC=NNC(CF)=NNC;XJPVOYPXCKRWTN-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80511;MM80511;CC=C(CO)NC(=O)NC;AHHCNYRMAKDSKB-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80512;MM80512;C=C(C)C(C)C(O)CNC;LHMXLIXIFGVPMN-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80513;MM80513;CCC(N)C(C)(C)O;RJQQAAMUEHNMSQ-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80514;MM80514;CCN=CNC(C)(C)CO;AEGJZFDTZZHADY-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80515;MM80515;CN=C(NO)N(C)NC;MXDQKVXRLBYKEN-UHFFFAOYSA-N;132.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80516;MM80516;CCC(=O)NC(CC)=NN;FYOSYIOMHJBHFD-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80517;MM80517;N=C(CCC=CF)NO;ZVSYPIWUALBRTQ-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80518;MM80518;CC(CC#N)CC(=N)NO;BSSCHVXDTNUPLH-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80519;MM80519;C#CC(=O)CNCC#N;PPRIOQFYMMDVCN-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80520;MM80520;COC=CCCC(=N)NO;PEGOUTJAHRROPJ-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80521;MM80521;C#CC(=NN)NN=C;RTQVCLCGBQCLSE-UHFFFAOYSA-N;110.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80522;MM80522;C=CC(CNCC)C(C)=O;YSHBSTFPZQHAQB-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80523;MM80523;CC(C)(N)C(CO)CO;OWTQBHBTFKZROQ-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80524;MM80524;C=CC(=C)CC(CO)NC;NDSAJLYXNWJOGU-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80525;MM80525;C=CC(C(C)=O)C(C)NC;KGNICQXCIREPTN-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80526;MM80526;C=NNC(=N)C(=O)OC;PEJHKZOAVFWETH-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80527;MM80527;C=NNC(=N)ON=C;GQTDFVCGNWREBV-UHFFFAOYSA-N;114.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80528;MM80528;CNN(C(=N)N)C(N)=O;NIRFFXJBDGWFIE-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80529;MM80529;CC(C)NCC(CO)CF;WCBVFDPOSLPLNV-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80530;MM80530;CC=CCOC=NNC;KHFQVMFZLROSLJ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80531;MM80531;CCNCC(CO)CC=O;FRSKXNBJSLMWOU-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80532;MM80532;C#CC(=CCO)N(C)C=N;JRQBBPZFUYJZJL-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80533;MM80533;C=NOC(CCOC)=NN;RAVPUNLCQULUOK-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80534;MM80534;C=NNC(C#N)CCF;FQOPKEYFPFWNCE-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80535;MM80535;C#CCNN=CCOC=O;QOBJNQFUZMENBH-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80536;MM80536;C#CCNN=CC(=C)OC;KGXCSRCHWRHEIP-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80537;MM80537;C=CCN(C=NC)CCO;SOKRAFTZNNIADW-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80538;MM80538;CNC(=NO)NC(=O)NO;CTCXTUSXXVMXSR-UHFFFAOYSA-N;148.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80539;MM80539;CCC(=N)NOCCC=O;FWVNOXJMYZVLHF-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80540;MM80540;C=C(C)C(CN)CC(N)=O;XZDUEUKDEAMUAR-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80541;MM80541;CCC(C)(CC(N)=O)NC;ILSHSQFHNJRSFM-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80542;MM80542;CC=C(F)C(O)C=NNC;NWXHLDLCTGBQIT-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80543;MM80543;C=CC#CC(O)C=NNC;AOJWXOZWOYFRAI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80544;MM80544;NNC=O;XZBIXDPGRMLSTC-UHFFFAOYSA-N;60.06;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80545;MM80545;C=C(C)CCNCCC=O;UHMNJHBVYLGOCK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80546;MM80546;CC=C(NC(=O)NC)OC;YURDVDMLWSZROW-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80547;MM80547;C=C(CO)NC(=NO)OC;IBWQMBJOWHXDCN-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80548;MM80548;CN=C(C)N(N)C(C)C;GDMAVJXQDPHDJK-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80549;MM80549;C#CC(CC=O)C(C)NC;AKXKPVBLEFIJPI-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80550;MM80550;N#CCNN=C(N)NC=N;IIOBQGWDLCCKHN-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80551;MM80551;C=C(NC(=NO)OC)OC;AKZNXMHCVNIBOH-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80552;MM80552;C=NN(C=CCC)C(=N)N;OQFMNFOQZFQRPD-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80553;MM80553;C=C(CO)OC(=CC)CO;VZPNEFAJHXTISR-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80554;MM80554;CNNC(=NN)N(C)N;JAGOPNHABYKYCB-UHFFFAOYSA-N;132.17;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80555;MM80555;CNC(=N)NOC=O;RXODEFKYEMMOBR-UHFFFAOYSA-N;117.11;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80556;MM80556;CCC(=O)OC(=NO)NC;TVZHYKMOKQNNHQ-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80557;MM80557;C#CC=NNCC(O)C#C;VBWOUPNVDXLABC-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80558;MM80558;C=CC(=O)C(C)CNC;NZAITPIUXLFKMI-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80559;MM80559;C=C(CN)C(=C)CNC;OIYZYZRCIJEJBF-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80560;MM80560;C=NN(C)C(=N)N;DILPDUYNADZDCN-UHFFFAOYSA-N;100.13;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80561;MM80561;CC(=NNCCF)C(C)O;DVSQYXRQUYMHMR-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80562;MM80562;CCC(CC(=O)C=O)=NO;MJKUUEREQNSJRD-UHFFFAOYSA-N;143.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80563;MM80563;C=CC(=O)CC(CO)=NO;FIRGTSORNKVJRI-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80564;MM80564;O=CC(=O)CC(CF)=NO;WMIIFOMZZGFGDG-UHFFFAOYSA-N;147.11;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80565;MM80565;C=NOCC(C#N)C=O;ZGJNPAQIQUFRNP-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80566;MM80566;C=COCC(=O)N(N)C=C;ZKQIRASUCSAOMY-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80567;MM80567;C=C(C#N)CC(=NO)NO;AAFJNCRABUMYPU-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80568;MM80568;C=C(CF)CC(CO)=NN;YFQKWJURNUIYLF-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80569;MM80569;C#CC(C=NOC)C(C)O;NIWSJTWLJOSECE-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80570;MM80570;C=C(C=O)CC(=NO)OC;KMUJQBUCOBRQBS-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80571;MM80571;C=CC(=O)CC(=NO)OC;QNVPIJSCDIZYFI-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80572;MM80572;C=C(C)N(C=N)NCC;UZSCZGPAGLBNJT-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80573;MM80573;C=CC(=O)NC(=CC)CO;QUKXYFJTBDOADB-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80574;MM80574;CCC(=CCNC)CN;XJYFHAAMJFYMPU-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80575;MM80575;C=C(F)C(=NN)NO;XPZQAFRAEJUCAL-UHFFFAOYSA-N;119.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80576;MM80576;C=C(C#N)NC(CO)=NO;YKLHJKMAFCARLI-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80577;MM80577;CC#CC(=O)C(C#N)NC;NGWPMGRVVJPCEM-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80578;MM80578;C#CC(=O)N(N)C(C)CO;ZVPSTEHCOBNLPK-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80579;MM80579;C=C(CO)C(CF)=NNC;ZGICZDXFAJPLRH-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80580;MM80580;NC(C=O)=NC(CO)=NO;SKMKGXWCISNHNM-UHFFFAOYSA-N;145.12;-1.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80581;MM80581;N#CC=CNN=CCCO;ZYNNAIMZLPFXOG-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80582;MM80582;NC(C=O)=NC(CF)=NO;XSHYAQZUHSNAAF-UHFFFAOYSA-N;147.11;-0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80583;MM80583;CCC(=NO)NC(=O)C#N;MMEJNBZPHPLARY-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80584;MM80584;N#CC(=O)NC(CO)=NO;HGCJWTOOKFCCST-UHFFFAOYSA-N;143.1;-1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80585;MM80585;CC(=O)C=CC#CC(=N)N;LOQOUSZGUVEHRR-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80586;MM80586;C#CC(C#CC=NN)CO;AJPJINNRVYYYIN-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80587;MM80587;C=NNCC#CCCNC;FOCFFHLNYSOACA-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80588;MM80588;CC#CC(C=NO)C(C)N;XUXVPJUDSXJXKQ-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80589;MM80589;CC=NOC(OC)C(C)=O;TZLFZTVKUCNVRX-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80590;MM80590;CC(C=NO)C(C)CN;GWPYKRUHSLFLHW-UHFFFAOYSA-N;130.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80591;MM80591;C=C(C#N)NC(=NO)NO;SZTPKFHIDFQITJ-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80592;MM80592;C=CC(=CCNC)CN;BQSSKCPXBTZAEK-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80593;MM80593;C=CC(CN)CC=NO;JXTMSCVWCHCYRZ-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80594;MM80594;CON=C(C)C(C)C=O;LPNCHKVGEYHHSL-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80595;MM80595;C=NNC(=NN)ON=CC;RAJACBJNRXIWQD-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80596;MM80596;NCCCC=NO;KEQOQERGLPLLOT-UHFFFAOYSA-N;102.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80597;MM80597;N#CC(=N)NC(=NO)NO;LYPFHDVPDMJTLC-UHFFFAOYSA-N;143.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80598;MM80598;CONC(=NC=NN)OC;NCKNCTLLCZPHEQ-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80599;MM80599;CNC(=NO)NC(=O)C#N;JTHNRBAORKLBAO-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80600;MM80600;N#CC(=O)NC(=NO)NO;QPBZRIOFQGBNSA-UHFFFAOYSA-N;144.09;-1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80601;MM80601;CC=C(NC(=O)C=O)OC;JVSSEFTVFMUDAH-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80602;MM80602;CC=C(NC(=O)C#N)OC;DIZZUDMGUPDQSK-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80603;MM80603;C=CC(N)CC(C)(N)C=C;YNPMSUBRURFNSG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80604;MM80604;C=C(C#N)NC(=NO)OC;OEZJBQAZWOXDNT-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80605;MM80605;C=C(CF)CC(C)(N)CN;FEZOHDKRUKGRJQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80606;MM80606;N=C(N)NC(N)=O;SQSPRWMERUQXNE-UHFFFAOYSA-N;102.1;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80607;MM80607;COC(N=C(N)C=O)=NO;WLAPIHNYEROEKV-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80608;MM80608;COC(=NO)NC(=N)C#N;WRKDWLBJBWKRMG-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80609;MM80609;C=CC(=O)NC(=NC)OC;KQZDWIJEOOITGH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16529;MM16529;CN=C(NC(=O)C#N)OC;IQUCMGJDDREVLO-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80610;MM80610;C=C(C=O)OC(=CF)CO;XMFGBDOAXCVCJQ-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80611;MM80611;CC=C(CO)OC(=O)C=O;NERTZEIHULEQCR-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80612;MM80612;C=C(C=O)OC(CO)=NO;BVEWDTKQTUHAGM-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80613;MM80613;C=CC(=C)CC(C)(N)CN;TUSKFPXUBLQJLV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80614;MM80614;C#CC(O)(C#C)CC(C)N;XLBDSWKNPHELFU-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80615;MM80615;N#CC(=O)OC(=NO)NO;DUEMXTPRVPWJKW-UHFFFAOYSA-N;145.07;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80616;MM80616;CC#CC(O)C(=N)N(C)C;OOBNUJRZTIECCR-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80617;MM80617;C#CC(=O)CC(CC)=NO;RRWBYPUBHLMDLW-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80618;MM80618;N=CNC(N)=NC(=N)CO;YZKLFSIVMCOZNJ-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80619;MM80619;C#CC(=C)CC(=NO)NO;KHPJGLDUXJLPIH-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80620;MM80620;CNCC(C)(O)C=CF;YTQQUYJKKQCCJN-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80621;MM80621;CC(=CF)CC(C)(N)CN;WEVQLKKDPLAIII-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80622;MM80622;C#CC(=O)NC(=CC)CO;DWRVQFQHOYREAC-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80623;MM80623;N=C(CO)NN;ODESKERDLZIGMF-UHFFFAOYSA-N;89.1;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80624;MM80624;C#CC=C(C)NC(=N)CO;NYYGHFJVSUAEFX-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80625;MM80625;CC(C)NC(C)(CN)CN;PHZMUMMUEPLPGV-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80626;MM80626;C#CC(=O)NC(CC)=NO;ZGSDFASWJCRLCB-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80627;MM80627;C=C(C)CCNCC(=C)C;NSALXAMQKVLLRY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80628;MM80628;C=NNC(C=O)=NOC;KZPRMMSBHAWJLG-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80629;MM80629;CNCC(C)(O)C=C(C)C;CDWNGUPZHOZYHW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80630;MM80630;C=NNC(=NN)OCOC;MIATUBWZDFUGRS-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80631;MM80631;CNN=CN(C)N=CCF;WJQGKCHVBTVDCH-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80632;MM80632;CC=NN=CNNCC#N;XWRGQKZXSUHHGN-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80633;MM80633;C=C(C)CNN=COC;DBLYCZUNZYJBHQ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80634;MM80634;C=CC(C)(O)CNC;ZJMNOEAMIPHERS-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80635;MM80635;C=C(C)COC=NNC;BKEGMEUHNMGMJX-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80636;MM80636;CN(O)C(=N)NN;BNJWAWSDDGOPBO-UHFFFAOYSA-N;104.11;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80637;MM80637;C=C(CO)NC=NCC;BFINUNXDKONYJV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80638;MM80638;C=CCCC(=N)NO;UKIZHHMPUPXHFQ-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80639;MM80639;CNCC(C)(C)OCCO;ZHHHPIVHEBWNIN-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80640;MM80640;CCNC(C)CO;SGBGCXQCQVUHNE-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80641;MM80641;C=NNC=NOCCF;XRLLEYABUXNNEW-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80642;MM80642;C=CC(=NN)OCOC;UOGKJUTXXYCUSM-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80643;MM80643;C#CCOC(C=C)=NN;MUSKYZXGEZTBEX-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80644;MM80644;C#CC(=CC(C)O)NC=N;ZUCMUHWPKNWESY-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80645;MM80645;CNCCC(F)=CCO;OFTUKBOBSPBGQZ-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80646;MM80646;C#CC(=O)NC(=NO)NO;YBLNQQXFLJXMSI-UHFFFAOYSA-N;143.1;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80647;MM80647;C#CCCNC(C)(C)CN;XYDRANUTXORFPT-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80648;MM80648;C#CC=CN(C=N)CCO;XKZZSGMBAIHKNG-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80649;MM80649;C#CC(=C)NC(=NO)OC;JCHKOXHGKJUIPR-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80650;MM80650;CNC(N)=CC(=NN)OC;NCZUDGZBECTBEW-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80651;MM80651;CN=C(C#N)NC(=N)CF;NGJRCBQELRPEHJ-UHFFFAOYSA-N;142.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80652;MM80652;C#CC(=O)NC(=NC)OC;YGXHQWZLFHBSNW-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80653;MM80653;C#CC(=O)NC(=NN)OC;LRYFOVKUKBVPLM-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80654;MM80654;C#CC(=O)NC(=NO)OC;MCIALXBMTMOEQL-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80655;MM80655;C#CC(=C)OC(CO)=NN;MSZBQHPOXJYNDW-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80656;MM80656;C#CC(=C)OC(CO)=NO;XWMJODYMZIADRH-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80657;MM80657;CC=CC(N)C=CC(C)N;JKXCDRKBKJGCKK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80658;MM80658;C#CC(CC)C(=N)NC=O;YFXLRJSOUNPUJS-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80659;MM80659;C=CC(=CC)CC(=O)CO;XLBPTMQVEPIPJN-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80660;MM80660;CC=C(C#N)CC(=O)CO;RPSSSSUCZQYELV-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80661;MM80661;CCC(=O)CC(C=O)=CN;HHHQDFCENDTSOQ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80662;MM80662;CC(C)NCCO;RILLZYSZSDGYGV-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80663;MM80663;CNC(=NO)OC(C)C;BQXGAVGCHBEAGE-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80664;MM80664;N#CC(=CN)CC(=O)NO;FNOVVGYYNYMYIR-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80665;MM80665;CNC(=O)CC(C#N)=CF;IJVVCLMHWDXYOY-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80666;MM80666;N#CC(=CF)CC(=O)NO;QMLKCLOGUOXEIU-UHFFFAOYSA-N;144.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80667;MM80667;C#CC=C(C)NC(=N)CN;VSQZBMLVHNZRII-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80668;MM80668;C=CC(N)C(C)=CC(C)N;LJAWRUSVNZVTFH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80669;MM80669;CC=NOCCC(O)C#N;NKAPYUZHRIGNSP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80670;MM80670;C#CCC(O)C#CC=NN;ZIBKYAZZYMHREO-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80671;MM80671;CNC(=O)CC(C#N)=NO;SHCHERFOFZZXBV-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80672;MM80672;CN(C)C(CCCO)=NN;PMTDSXUOWOZRHI-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80673;MM80673;N=CN=C(NN)NN;IVCQEDNGZYEGAE-UHFFFAOYSA-N;116.13;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80674;MM80674;C=NNC(=N)NC(C)=N;HBCCAFYNTPYGPH-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80675;MM80675;CC(=N)NOCCC=O;RQMKAKYAUHCJIC-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80676;MM80676;CC=C(C=O)NC(=O)CO;YFIGHIDXPFGFQL-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80677;MM80677;CC=C(C#N)NC(=O)CO;AHZYIYQLUQZBAG-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80678;MM80678;CCC(=O)NC(C#N)=CN;ZUIONSHLQXITQB-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80679;MM80679;CCC(=O)NC(C#N)=CF;RUMOVAPVVKZQQN-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80680;MM80680;O=CC(=CF)NC(=O)CO;LMNPORZWPXCXBD-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80681;MM80681;CCON=C(C)CC(N)=O;PQJCBSAYSZJAFQ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80682;MM80682;CC(=N)NOCCCC#N;BJUDSRWQDULYNT-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80683;MM80683;CNN=C(C)C#CC(C)O;WLOUFFWKCBZMCC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80684;MM80684;C=NOC(CC#N)C(N)=O;DWDFGKWGYWSIEV-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80685;MM80685;C=CNC(=N)NN=C;HTMMOSOJBAIHFT-UHFFFAOYSA-N;112.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80686;MM80686;CC(C)=NNC(C#N)C=O;ZVTQMIUTTKJKGF-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80687;MM80687;CC=CC(CCN)C(N)=O;XKXYVDDXFOEJBN-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80688;MM80688;CCCON=CCO;WLUAUIUITFMAEF-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80689;MM80689;CC=C(C#N)NC(=O)NC;DBLJNHXEQLQQQK-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80690;MM80690;CC=C(C#N)NC(=O)NO;WBSBHCXXSRSXCU-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80691;MM80691;CNC(=O)NC(C=O)=CN;SAJZGQWPTYUNED-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80692;MM80692;CNC(=O)NC(C#N)=CN;RFBKXOQQJSVNPK-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80693;MM80693;CNC(=O)NC(C=O)=CF;QVFSOFCPRAPSMM-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80694;MM80694;CNC(=O)NC(C#N)=CF;RWHDDMKRQUUPSO-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80695;MM80695;C#CC(NCC#N)C(N)=O;HOUVSYNXWNEMMJ-UHFFFAOYSA-N;137.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80696;MM80696;COC(=O)NC(C#N)=CN;BCUDMVACSICOQA-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80697;MM80697;COC(=O)NC(C#N)=CF;RYVDMYYBMZFOCC-UHFFFAOYSA-N;144.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80698;MM80698;C#CCCCONC(C)=N;YKRNUXFARWHDJE-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80699;MM80699;CCC(C)(CNC)C(N)=O;DQTCMOVFBDGQNB-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80700;MM80700;CN=C(CC#N)NC(=N)N;BKCIRFUCRPDLRN-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80701;MM80701;CNCC(C=O)C(C)CF;YWWBQRVMJQNHIX-UHFFFAOYSA-N;147.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80702;MM80702;N#CCCNN=CCO;BMICPLIJYJYXQI-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80703;MM80703;C=C(CF)NC(C=O)=NO;WQAVWKIJRKXFQT-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80704;MM80704;CNNC(=NNC=N)NC;KDFQXFWDAHOSLC-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80705;MM80705;CC#CC(=N)NC(=N)NN;CEBPMEARUQDSKN-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80706;MM80706;CCONC(=NC)N(C)N;BXJUXLBUKWUUBS-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80707;MM80707;C=NNC(=N)N;HYXJGYTXXVCEQD-UHFFFAOYSA-N;86.1;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80708;MM80708;N#CC(=NO)NC(=N)CF;MWQXZWYLEWUMHD-UHFFFAOYSA-N;144.11;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80709;MM80709;CCC(=O)NC(C#N)=NC;NUDLAYXKMBWRMU-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80710;MM80710;CN=C(C#N)NC(=O)CO;CXBUDFZHGDTTHN-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16544;MM16544;CN=C(C#N)NC(=O)CF;BWVIXBBMLAYCOO-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80711;MM80711;CCC(=O)NC(C=O)=NO;NMNRWXXXYWKNMP-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80712;MM80712;CN=C(NNC)NOC;BTHJKDFKBJLVQR-UHFFFAOYSA-N;132.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80713;MM80713;CC=COCC(N)CCN;XHGKNCDFFULRTH-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80714;MM80714;C=CC(=NO)NC(=O)NC;WMIOGFDCQFRXGG-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80715;MM80715;CN=C(C#N)NC(=O)NC;GFJKZVLTIGWOBT-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80716;MM80716;CN=CNCC(F)=CC=O;MBKVXBUKGIFXOB-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80717;MM80717;CC=NNC(=N)N;RZBSYVZCDZQFDT-UHFFFAOYSA-N;100.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80718;MM80718;C=C(N=C(C#N)NO)OC;LCAGBPYQPJHPCT-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80719;MM80719;C#CCC(C)C(N)C(C)N;OHEWRSGLXYNZCN-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80720;MM80720;C=C(C)N(N)C(=O)NCC;PDBJPWYYMIMJGX-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80721;MM80721;COC(=N)NC(C#N)=NO;GHNLVMRFFKOSTJ-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80722;MM80722;C=CC(=NC)NC(=O)OC;PYZGYJOUUIIGCB-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80723;MM80723;C=CC(=NN)NC(=O)OC;YCVKYPBXIUSHRL-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16502;MM16502;CN=C(C#N)NC(=O)OC;FLTXVFNOAVGMMA-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80724;MM80724;COC(=O)NC(C#N)=NO;OQOBILRDNQDFLO-UHFFFAOYSA-N;143.1;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80725;MM80725;C=C(C)N(N)C(=O)NC;GZVGSVIIQOSRPY-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80726;MM80726;CC=C(C=O)OC(=O)CO;DPCXGLWFHRVKMK-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80727;MM80727;N#CC(=CN)OC(=O)CF;XJTYJVSPTRQXHT-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80728;MM80728;N#CC(=CF)OC(=O)CO;ZGEMWJIODDVLSA-UHFFFAOYSA-N;145.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80729;MM80729;COC(=O)OC(C#N)=CN;BIPDYYGNWOJNRJ-UHFFFAOYSA-N;142.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80730;MM80730;C=C(CO)OC(C#N)=NO;YYPREHFMQJDIJY-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80731;MM80731;CCC(=O)OC(C#N)=NO;KVYBBAJMZPRGTA-UHFFFAOYSA-N;142.11;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80732;MM80732;C=C(C)N(N)C(N)=O;OTLOUJRQZMTZNJ-UHFFFAOYSA-N;115.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80733;MM80733;CCC(C)=NNC(=N)N;JCZUOBZQFQAICO-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80734;MM80734;C=CC(=NO)OC(=O)NC;JLIATBSXAQQYDX-UHFFFAOYSA-N;144.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15799;MM15799;C=CC(=O)CC(C#N)=CC;TYHOPDIIHQTVNA-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80735;MM80735;N#CC(=O)CC(C#N)=CN;YCRXFYHASGFMNH-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80736;MM80736;C=C(C#N)CC(C#N)=NO;RNPSALUKDMOWNB-UHFFFAOYSA-N;135.13;0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80737;MM80737;C=CC(=O)CC(C=C)=NO;GCIXHUNYHWSEDJ-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80738;MM80738;N#CC(=O)CC(C#N)=NO;YMOHXXFYULJMOY-UHFFFAOYSA-N;137.1;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80739;MM80739;CNNC(=NN)NNC;HERFXCFZBNGRMM-UHFFFAOYSA-N;132.17;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80740;MM80740;C=C(CC)N(N)C(N)=O;FMCFOGNYUSTWLR-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80741;MM80741;CCC(=NNC)N(C)C;CAMPPZFYBWRJRW-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80742;MM80742;CNC(=N)NOC=NN;PQEFEZCHRHFWBR-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80743;MM80743;CC=NN(C)C(=N)N;GCFFFHCGANTGOF-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80744;MM80744;CNCCC=NNCC#N;UZPDNFHEDHQFDN-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80745;MM80745;CC=C(C=O)NC(=O)C#N;GWCUYVFWGCKENG-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80746;MM80746;CC=C(C#N)NC(=O)C#N;OATYGMUXZDNMRO-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80747;MM80747;N#CC(=O)NC(C=O)=CN;BXESHPXQJQRALU-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80748;MM80748;N#CC(=CN)NC(=O)C=O;CMADYHAZBMIKRJ-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80749;MM80749;N#CC(=O)NC(C#N)=CN;KTRKZOASJCTKRV-UHFFFAOYSA-N;136.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80750;MM80750;N#CC(=O)NC(C#N)=CF;OBSAJKONTVUOCU-UHFFFAOYSA-N;139.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80751;MM80751;CC(C#N)(CCF)C(=N)N;FNTNHRXXXWXPKI-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80752;MM80752;CC=C(C)N(N)C(N)=O;CMPOWUZKSRTJPT-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80753;MM80753;C=C(CCC)N(N)C(N)=O;SSFOWGIHEIINBR-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80754;MM80754;CC(C)C(C)(C#N)C(=N)N;JAGXONDVFWOTDC-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80755;MM80755;C=C(C#N)NC(C#N)=NO;IWXJTXBCOJRTBC-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80756;MM80756;CNC(CCO)=C(C)C#N;PFJAYGCDJXYMLU-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80757;MM80757;O=CCN(CC=O)CC=O;PUIQUZWELLTUSI-UHFFFAOYSA-N;143.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80758;MM80758;C=CC(N=C(N)C=O)=NO;LZFOCUGWHOFUSV-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80759;MM80759;C=CCNC=NCC=NO;QWAJSDZSDNXZCU-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80760;MM80760;CNC=C(C#N)CCC=O;ITGRIMBOLVAFRK-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80761;MM80761;C#CC(C=NO)CNCC;HROTUWTYPOARIU-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80762;MM80762;N#CC(N=C(N)C=O)=NO;XCLMSPIHOWHMAE-UHFFFAOYSA-N;140.1;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80763;MM80763;N#CC(=N)NC(C#N)=NO;XKLLPSFCYCFEBZ-UHFFFAOYSA-N;137.1;-0.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80764;MM80764;C=CC(=NC)NC(=O)C#N;ONHMQHCTSXCKNP-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80765;MM80765;C=CC(=O)NC(C=C)=NN;ZFNZJVHYBCMJHJ-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80766;MM80766;C=CC(=NO)NC(=O)C#N;LVFPWDWFVDCQMT-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16160;MM16160;CN=C(C=O)NC(=O)C#N;GEDBXOYIFNYDQZ-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16090;MM16090;CN=C(C#N)NC(=O)C#N;ZYNYEPSYXVGRRV-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80767;MM80767;C=CC(=O)NC(C#N)=NO;BLRVFOIRXCHQPM-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80768;MM80768;O=CC(=O)NC(C=O)=NO;KYKMQMCCZKWUQZ-UHFFFAOYSA-N;144.09;-1.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80769;MM80769;N#CC(=O)NC(C#N)=NO;BFKSGUABSLWHKN-UHFFFAOYSA-N;138.09;-1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80770;MM80770;C=C(C#N)OC(C=O)=CN;LHRXMHKGTILRPS-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80771;MM80771;CCN=C(C)N(C)N(C)C;PNKHQDHVSPLJLS-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80772;MM80772;CNCCC(C)(C=O)C=O;WPCGTCMTLFMRPY-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80773;MM80773;N#CC(=O)OC(C=O)=CN;STGILQWRVLXQLM-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80774;MM80774;N#CC(=CN)OC(=O)C=O;PMPVCDPRDMIWIZ-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80775;MM80775;N#CC(=O)OC(C#N)=CN;WYPONJTZMPKEFP-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80776;MM80776;C=CC(=NO)OC(=C)C=O;KOWOITWPQWYLCV-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80777;MM80777;C=C(C=O)OC(C#N)=NO;VTGJDLQBXQCROI-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80778;MM80778;C=CC(=O)OC(C=O)=NO;BVIVZXSVAUBYEL-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80779;MM80779;C=CC(=O)OC(C#N)=NO;NZCZHXHFTUYLMK-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16556;MM16556;N#CC(=NO)OC(=O)C=O;RMCQNFZHXPSLIQ-UHFFFAOYSA-N;142.07;-0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80780;MM80780;N#CC(=O)OC(C#N)=NO;NHFMTRCTHCHVOD-UHFFFAOYSA-N;139.07;-0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80781;MM80781;CC(C#CCCN)C=NO;FGSMYEBKJLXSNB-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80782;MM80782;C#CC(C#N)C(=N)NN=C;QTHXSCMRBBCPFK-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80783;MM80783;C#CC(=O)NC(C#N)=CC;LDRUQGXYNSIETK-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80784;MM80784;C#CC(=O)NC(C=O)=CF;ZLAFLHJRNCZHON-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80785;MM80785;C#CC(=O)NC(C#N)=CF;DEDIXCNPJMUYER-UHFFFAOYSA-N;138.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80786;MM80786;C#CC(=C)NC(C=O)=NO;KBGWNWLWBXRREE-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80787;MM80787;C=CC(CC)(NC)C(C)N;RUJREWDXEDOHLM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80788;MM80788;C=NNCC(C)(F)C#N;UFKIFSSLPYVLKO-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80789;MM80789;C#CC(=N)NC(C#N)=NO;PGPHIEBTRKZVII-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80790;MM80790;C#CC(=O)NC(C#N)=NC;WXXRJBWZWPZKLA-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80791;MM80791;C#CC(=O)NC(C#N)=NO;MPPFOFTVDKCIQT-UHFFFAOYSA-N;137.1;-0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80792;MM80792;C#CC(=C)OC(C=O)=CN;DTFPUUJHIKQEBM-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80793;MM80793;CCOCC(N)C(C)NC;MZMBWDXGDCEHBL-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80794;MM80794;C#CC(=O)OC(C=O)=CN;MJPDGGLYBSTVOY-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80795;MM80795;C#CC(=O)OC(C#N)=CN;VFRFSCLAUHNQEA-UHFFFAOYSA-N;136.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80796;MM80796;C#CC(=C)OC(C=O)=NO;HGIWSSYGJDZUBH-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80797;MM80797;C#CCNC=NN=C;WVCXTSUXQWVMSV-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80798;MM80798;C#CC(=O)OC(C=C)=NO;UVCVNHQUEGRUFY-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80799;MM80799;C#CC(=O)OC(C=O)=NO;QDLGQEJIGOPPJT-UHFFFAOYSA-N;141.08;-0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16485;MM16485;C#CC(=O)OC(C#N)=NO;RFTYJTDUGWKWLC-UHFFFAOYSA-N;138.08;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80800;MM80800;C#CC(=CC)CC(=O)CO;ONRWVWGOCHHDBA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80801;MM80801;CC=NNC(=N)OC(C)=O;IXWDUKPKNZROCJ-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80802;MM80802;CCC=NNC(=N)OC=O;ZOCZGKXIXHLQQE-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80803;MM80803;CC(=NO)N(N)C(=N)N;PDSOCRQJKJPNIF-UHFFFAOYSA-N;131.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80804;MM80804;C#CC(CC(=C)CO)=NO;OSBZQAGZVSMXBM-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80805;MM80805;C#CC(CC(=O)CF)=NO;HZCMUJYBTLUZGN-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80806;MM80806;C=CNC(=N)NC(=O)NC;XRPAANSUMDSWAG-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80807;MM80807;C#CC(CC(=O)OC)=NO;HZJWRHMBMVDZEV-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80808;MM80808;C#CCCC(N)C(N)CC;CVSLWLUFERJZIE-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80809;MM80809;CN=C(NC)NC(=O)NC;NDMIZORWSKCWIM-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80810;MM80810;CC(=N)N(C)C=NCC#N;OPMYHVURQDMCGI-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80811;MM80811;C=CC(C)N(C)CCCN;OJUIQGSPIZHKIZ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80812;MM80812;C=NNC(=O)C(C)CCN;LBLTXEZRZWCEHL-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80813;MM80813;C#CC(=CF)NC(=O)NC;QJVPKIGKSMOSJR-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80814;MM80814;C#CC(=CF)NC(=O)NN;BCGUWRARKKFZAV-UHFFFAOYSA-N;143.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80815;MM80815;C#CC(=CF)NC(=O)OC;GRROCXQQAIMESJ-UHFFFAOYSA-N;143.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80816;MM80816;C#CC(C=NN)OC=NN;ZYRNCTULMCYRCE-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80817;MM80817;C#CC(=NO)NC(=C)CF;BHUHGOVUTRRZOM-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80818;MM80818;C#CC(C)C(C)NCCN;SIHLUOSFQFPFCN-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80819;MM80819;CC=NN=C(C)C=NN;HWCMWYXRHBAFAU-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80820;MM80820;CC(=NO)NC(C)(C)C#N;NBVWGFQGWWSBQR-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80821;MM80821;CNCC(C)(O)C(C)=CF;UXSJMPMSGRZGQU-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80822;MM80822;C=CC(O)(CCF)CNC;CBILKMHYEILVIE-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80823;MM80823;C=CC(O)(CC)CNC;ZSUHHKAYYKRVGS-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80824;MM80824;C#CC(=NN)NC(=O)CC;NSBIEIIUCIDICN-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80825;MM80825;C#CC(=NO)NC(=O)CC;RSYURLUQJPZQKB-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80826;MM80826;C=C(CN)C(C)=CCNC;KCILIOUVAKWSKQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80827;MM80827;CC=C(C)C(C)(O)CNC;FBDMOTIWDLJQND-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80828;MM80828;C=C(C)C(C)(O)CNC;KIMDMRYDENTMBW-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80829;MM80829;CN=CNC(=O)CC(C)C;XCRFXALNPYKMLH-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80830;MM80830;C=C(CC)C(C)(O)CNC;NANOEDYEGHAZNL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80831;MM80831;C=CC(CO)N=CN(C)C;ZIQWMJCEHYCMLV-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80832;MM80832;C#CC(=NC)NC(=O)NC;HXQXEIGIRAIKBX-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80833;MM80833;C#CC(=NN)NC(=O)NC;CGBAZVHQMZMPDV-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80834;MM80834;C#CC(=NN)NC(=O)NN;ROKLSLASHHTMHW-UHFFFAOYSA-N;141.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80835;MM80835;C#CC(=NN)NC(=O)NO;BIXMFCLIKFYNGY-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80836;MM80836;C#CC(=NO)NC(=O)NC;QEBHVOSMPGUMEX-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80837;MM80837;C#CC(=NO)NC(=O)NN;WLMJKFLZNCIFPO-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80838;MM80838;CC(CN)CNCC=CF;UCAPEUMUMNIHPM-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80839;MM80839;C=CCCC(=O)NC=NC;KEFRTDZRSMTGIA-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80840;MM80840;C#CC(C)C(CN)NCC;BSHXLVFSGMYSAG-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80841;MM80841;CCCC(=O)NC=NC;QUTHXTDJWXLXQL-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80842;MM80842;C=CCOC(=NO)NC;OHFXRFIHFCULPK-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80843;MM80843;C#CC(=NC)NC(=O)OC;GULTXDUJHHEKQD-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80844;MM80844;C#CC(=NN)NC(=O)OC;HRPCLHUTTCHODM-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80845;MM80845;C=C(CN)C(=CC)CNC;LOCVBWVBAWEHPQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80846;MM80846;CNN(C=O)CC(O)C#N;GKJMOZARZMVZHG-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80847;MM80847;C#CC(=NO)OC(=C)CO;OMTODBHDJABXPV-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80848;MM80848;C#CC(=NN)OC(=O)CO;CNPKBRSPJHQLNG-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80849;MM80849;N#CCCCNNC=O;NSFPTJRZEUQKCG-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80850;MM80850;C#CC(=NO)OC(=O)CF;YPLCYPCZBSOQJM-UHFFFAOYSA-N;145.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80851;MM80851;CC(N)CNC(C)(C)CO;CRHVXCQTNDCXBZ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80852;MM80852;C#CC(C)(O)C=NN(C)C;FPHLXCDJKQXKIE-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80853;MM80853;CCC(C=CF)NNC=O;SJIQYYMGHKAIOI-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80854;MM80854;C#CC(=NO)OC(=N)NO;CLFQXYNNYGCABD-UHFFFAOYSA-N;143.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80855;MM80855;C#CC(=NN)OC(=O)NC;ZWEJKZIORLUFEZ-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80856;MM80856;C#CC(=NN)OC(=O)NN;GEWBKJPCRNCFTI-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80857;MM80857;C#CC(=NO)OC(=O)NC;LAGIBXCVUBHKGY-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80858;MM80858;C#CC(=NO)OC(=O)NN;SXKSYKRXGCERFX-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80859;MM80859;CC(CC=O)CC(=N)NO;DQLPGGNNKIWIEH-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80860;MM80860;C#CC(CC(=O)C=C)=NO;TXILKTBIKODMFL-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15287;MM15287;C#CC(=CC)NC(=O)C#N;JALHOSWEPRRFNE-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80861;MM80861;C#CC(=CF)NC(=O)C=O;VAIDTBYVTHFKPO-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80862;MM80862;C#CC(=CF)NC(=O)C#N;BXJYVTIOCPZLGC-UHFFFAOYSA-N;138.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80863;MM80863;CCC(CNC)OCCN;GCNQRQVNUXPJHS-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80864;MM80864;C#CC(=NO)NC(=C)C=O;PLSHDDXYSXAWDK-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80865;MM80865;C#CC(O)C=NN(C)C;ZEFWDRSVBWWLKF-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80866;MM80866;C#CC(CCC)NNC=O;BUNNOYMNTVRENN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80867;MM80867;C#CC(=NO)NC(=N)C#N;IBJRBPTUECQOLS-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80868;MM80868;C#CC(=NC)NC(=O)C#N;QQWKQTSZFPASRB-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80869;MM80869;C#CC(=NO)NC(=O)C#N;DLSDFUBRVQAVQY-UHFFFAOYSA-N;137.1;-0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80870;MM80870;C#CC(=NO)OC(=C)C=O;JNVRFQPBIHXMHK-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80871;MM80871;C#CC(=NO)OC(=C)C#N;BVUBFTURUQTJLM-UHFFFAOYSA-N;136.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80872;MM80872;C#CC(=NO)OC(=O)C=C;KBAXAGQIHVYZDB-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80873;MM80873;C#CC(=O)CC(C#C)=NO;FJXAOBZEZCMNPL-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80874;MM80874;C#CCNN(C=N)C=CC;QHRMPLSOJJVTOY-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80875;MM80875;C#CC(=C)NC(C#C)=NO;SQNSMEOEDVGWCK-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80876;MM80876;C=CC(CCNC)=NOC;ATMAXIBPXHMBQO-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80877;MM80877;CNN=CC(C)(O)CC#N;RPQGAPJQOKZKBA-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80878;MM80878;CON=CC(C)C#CCO;KTYQVLMNSPJWOW-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80879;MM80879;C#CC(=O)NC(C#C)=NC;GOIOPDFDQLSVRU-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80880;MM80880;C#CC(=O)NC(C#C)=NN;NDEPKZIKNXCOBE-UHFFFAOYSA-N;135.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80881;MM80881;C#CC(=O)NC(C#C)=NO;IACFGUOOTQUGOR-UHFFFAOYSA-N;136.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80882;MM80882;C=CC=NOC(CO)=NN;RFFLUSHZVANMSF-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15467;MM15467;C#CC(=C)OC(C#C)=NO;RZPGEBDRTHSUPN-UHFFFAOYSA-N;135.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80883;MM80883;CC(F)(C=NN)CO;IOXZQVCUKOLDDF-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80884;MM80884;CNCC=C(CN)CCF;YSWWJGPDNQVXFF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80885;MM80885;COCC(=CNC=N)OC;HLBPMCHOFFWVAJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80886;MM80886;CCNCCC(O)CC=O;FXISXKUSNINCFC-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80887;MM80887;C=CCC(=CCNC)CN;LMTZBTQECMHRQB-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80888;MM80888;CCC(C)(N)COCCO;PZRJZOOXWXUUSD-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80889;MM80889;CNC(COC)=NCCO;BCKZSTVTPLBZMI-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80890;MM80890;CCC(=NO)N=C(C)NO;GPYCQOOPALZJGG-UHFFFAOYSA-N;145.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80891;MM80891;C=NNC(N)=C(C#N)CO;OTVIUBQFAMVRQH-UHFFFAOYSA-N;140.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80892;MM80892;CN=C(C)N(N)C=CCO;LMUMZMSZFIHOLA-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80893;MM80893;CN=C(CCO)NN;DXXQUDBWYOUOPN-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80894;MM80894;C#CC(C)(CCO)CNC;KMYLBHDFMPVPCR-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80895;MM80895;CNCC=C(C=CF)CN;SLUTVTOLGCIPKJ-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80896;MM80896;CC(N)CC(C)(C)NC=O;AHTYAKDYVOOZPX-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80897;MM80897;C=CNC(=N)NN=CC;VHXXADSTQMBECE-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80898;MM80898;NN=C(NO)OC=O;PWCCRXYPWBPTAF-UHFFFAOYSA-N;119.08;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80899;MM80899;C#CC(C)C(=O)C(=N)NO;XSVXTIIYPOOPDX-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80900;MM80900;C=CCC(CCN)C(N)=O;KEOSLEKOXZWWEU-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80901;MM80901;CC=C(C)NC(=NO)OC;TWMAVUYWTUZEPG-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80902;MM80902;C#CC(=O)C(=O)CNN=C;MAJRBONNUDPKIO-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80903;MM80903;CCCC(CCN)C(N)=O;FWUFBHHKZSVWSF-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80904;MM80904;CN(CCC#N)N=CCO;RDWUNYQIMKQRDT-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80905;MM80905;CC(C)C(CCN)C(N)=O;NEFPWBKLZNMLIA-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80906;MM80906;C#CC(C=NOCC)CO;SVNXCNOADNTMIT-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80907;MM80907;COC(N=C(C)NO)=NO;SOOBVMOBCFNYAK-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80908;MM80908;CC(=CC#N)NC(C)CO;KOIMIRRPDHTDBQ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80909;MM80909;CN=NC(NN)=C(C)NO;RZPZWSIPSFGJND-UHFFFAOYSA-N;145.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80910;MM80910;CC=C(C)N(N)C(=O)NC;MBUXAZAHBYSLPG-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80911;MM80911;CCC(=NO)OC(C)=NN;WEEIKLGUJSLCHR-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80912;MM80912;C=CCC(=C)N(N)C(N)=O;UMMITHULLOBXEX-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80913;MM80913;C=CC=C(C)N(N)C(N)=O;PGOJXBWZSPDLJS-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80914;MM80914;CNC(=NO)OC(C)=NO;RILRHRHRXKSMNS-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80915;MM80915;C=C(F)CC(C=O)CNC;MKYYSZDOOBLTDH-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80916;MM80916;CC(=NN)OC(=NO)NO;DDLCFOFDCSAKND-UHFFFAOYSA-N;148.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80917;MM80917;CC(CC(C#N)=CN)=NO;GWZNPWVYNDLSKQ-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80918;MM80918;CC(=NO)NC(C#N)=CN;SCPRUZQLXLZXGI-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80919;MM80919;CC(=NO)NC(C#N)=CF;HWTXZMDZVNOIRC-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80920;MM80920;CN(CC=O)N=CCC#N;YRCMUWWANMXRBS-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80921;MM80921;C=NNC(=CC#N)NC=N;ALEKLOSLCLOLJU-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80922;MM80922;C=CCC(C=O)CNC;GSPRHDGNAVXANP-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80923;MM80923;C=CNC(=NNC)C(=N)N;UDHCFGAYFUZGAS-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80924;MM80924;CC(=NC(C#N)=NO)NO;CFWARZLMOCFNIY-UHFFFAOYSA-N;142.12;-0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15462;MM15462;CC=C(C#N)OC(C)=NO;LTZJEDSEGFQHND-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80925;MM80925;CC(=NO)OC(C#N)=CN;BMKIORYCFKVBAM-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80926;MM80926;CC(=NO)OC(C#N)=NO;ONRJOTMLYJYZDQ-UHFFFAOYSA-N;143.1;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80927;MM80927;C=C(C)N(C=N)NCCC;AHXLISXKVWEZIM-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80928;MM80928;C#CC(CC(C)=NO)=NN;MAPWLJANQPBSFU-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80929;MM80929;C#CC(CC(C)=NN)=NO;QZNOQFGCZDOGKI-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80930;MM80930;C=C(C)C(=CCNC)CN;MPQUYSJOMBRSQJ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80931;MM80931;N#CC(=CNC=N)NC=N;PDQKWQQVLYOEMG-UHFFFAOYSA-N;137.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80932;MM80932;N#CC=C(CF)NC(=N)N;SVFDNUTXLIOCTJ-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80933;MM80933;C#CC(=NC(C)=NO)NN;RINDQSUEXSQYPM-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80934;MM80934;CN=C(COC=NN)NC;JDOMHDZUJJIKAA-UHFFFAOYSA-N;144.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80935;MM80935;C#CC(=NC(C)=NO)NO;ASUWOOLJZJNSDR-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80936;MM80936;CN=CNC=CC=O;LOEOCEIOYMJWQP-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80937;MM80937;C#CC(=NN)OC(C)=NO;MJILTLYZGDJVHO-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80938;MM80938;CNN(C=N)CCCC#N;SPKRCSAJZQMFPS-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80939;MM80939;C=CC(CCC=NN)NC;IQCUTMHWBIXVTI-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80940;MM80940;C=C(CNC)C(=CC)CN;TYYQXMOOFDUXIS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80941;MM80941;CC(C)(N)CC=NNC=N;LXCQMRSSWUPVHV-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80942;MM80942;COC=CCNCCCN;VSIBULTURRQXQH-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80943;MM80943;CN(C)CCCN;IUNMPGNGSSIWFP-UHFFFAOYSA-N;102.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80944;MM80944;CCC(=N)NOC;HNINNSPBRHXDCS-UHFFFAOYSA-N;102.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80945;MM80945;COC(C)=CC(CO)CO;HTXYPFTUZMQLAA-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80946;MM80946;C=CCC(C)(N)CN;ISVSKEWGZVCRIF-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80947;MM80947;C=C(C)C(N)C(C)C;KTQNAIJPPUISRT-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80948;MM80948;CCC(N)C(N)CC;IWCAQTQMDRGMPI-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80949;MM80949;CNCC=C(C)CN;RGHZUWLLIVPJAE-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80950;MM80950;COC(C)=CC(CO)OC;YXODBGMWKOWMCU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80951;MM80951;CNC1(CN)CC1C;OHOORZIDAUQTKV-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80952;MM80952;COC(C=C(C)CO)OC;JJVKRKMJJHRHOQ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80953;MM80953;C=C(C)CC(C)(N)CN;NTXNSGKXYZLILT-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80954;MM80954;C#CCC(N)C(C)(C)N;AOOWHJUWBYCWDC-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80955;MM80955;CC(C=O)=CC(CO)CF;CHIJMNOBIFYYKA-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80956;MM80956;CC(C)=CC#CC(=N)N;XKLNUILDHYCYMQ-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80957;MM80957;C=NOC(=NN)NC=NN;ZRXUPOCKLBJJLP-UHFFFAOYSA-N;144.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80958;MM80958;CC(N)(CN)CC=CF;CLHXRIMGQLTTMU-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80959;MM80959;C=CC(F)=CC(CO)OC;CWBVMMRWEDPADU-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80960;MM80960;COC(C=C(C)C=O)OC;UKYNGIDUKUFOQS-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80961;MM80961;C#CC#CC(CCN)=NO;FEKSLMPYDRRLRG-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80962;MM80962;CC(CF)CN(N)C=N;DCBAMISPULDDFD-UHFFFAOYSA-N;133.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80963;MM80963;C#CC(=NO)C(=C)CCN;QJCQNDOKSOPXMJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80964;MM80964;C=CC(=N)NC(C)C#N;ZYGYISRRYYJCQL-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80965;MM80965;N=C(N)C#CC=CCF;GAMDWKXSJWXGEO-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80966;MM80966;C#CC(=N)N(C)C(=C)C;TVZQUKBTSDPJDR-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80967;MM80967;CCNC(CN)CCF;LKPSMZZBOFQVJT-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80968;MM80968;N=C(N)C(=N)NC=O;FOSNMTOWBMLUTE-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80969;MM80969;C=CC(=CCN)CNC;GCURIZLFCFOHGB-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80970;MM80970;C=COC(=CF)C(=N)N;NWFAMFFHLBTSKP-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80971;MM80971;C=CC(C)C(C=C)NC;XJJIKPNXKJQVKQ-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80972;MM80972;C=NN(C)C(=NC)NC;JUGQJADHVXRSCC-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80973;MM80973;C=CC(CCNC)=NN;BCGRPBNCKFDBBP-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80974;MM80974;COC(C)=CN(C=O)OC;AMXWASQHFLPHMN-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80975;MM80975;CC(C)(CN)CC(N)CF;CMKBJFHXDLROOY-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80976;MM80976;C=C(CC)CC(C)(N)CN;SLUHHHOJLZQOCR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80977;MM80977;CC(C)=CCC(C)(N)CN;WLHOFTAOSBBFAB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80978;MM80978;CC(F)=CCC(C)(N)CN;BUVQCPYQFBPOKE-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80979;MM80979;C=CNC(=N)NC(N)=O;OMHCPLOJHZWVOK-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80980;MM80980;CC(F)CC(C)NCCN;XCURNZJBXBELAU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80981;MM80981;C=CC(C=C)C(C)(N)CN;MDTJRLKBQNFYEQ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80982;MM80982;CC(N)(CN)CC=CCF;MIIMBCJSAFLKSJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80983;MM80983;C=CC=CCC(C)(N)CN;VMUUUGGIVYSDKK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80984;MM80984;C=CCC(N)(CN)CC=C;LRRIAAKWBNOMQU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80985;MM80985;CON(C=O)C=C(C)C#N;MKOFHZBNUJJTFQ-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80986;MM80986;C=CC(N)C=C(C)C(C)N;SPQXBPQQFPWZBG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80987;MM80987;C=C(C)C(N)C=CC(C)N;KEJCGYDLPDAXBG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80988;MM80988;CON(C=O)C=C(F)C=O;MOKMZOQIWOLORJ-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80989;MM80989;CCC(N)C(N)CC(C)C;YYVZVQKZMFBBGV-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80990;MM80990;CCN(C=O)N=C(C)C#N;PURQHIDLNUQOHC-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80991;MM80991;C#CC(C)=CC(C=O)CO;HUQJHIZDWXMCFP-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80992;MM80992;C#CC(C)=CC(C#N)CO;CZLLWOGEYXLFEZ-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80993;MM80993;CC=NN(C=NN)CCF;QFJJITIDTAHBRZ-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80994;MM80994;CN=C(NC)NC(N)=O;IZRKJLYCWDGEBX-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80995;MM80995;C#CC(C)=CN(C=O)OC;KVJNEHFEMNIUOS-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80996;MM80996;C#CCC(C#N)NC(C)=N;ADVBQIKVOMGENB-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80997;MM80997;CNN=COC;GNTNVDMKYNHFCO-UHFFFAOYSA-N;88.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80998;MM80998;C=C(C)C(N)C(CN)CF;XOEPGIRPUTYCFD-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM80999;MM80999;C=CNC(=N)C(=O)C#N;WJDSZMJTAVCEJZ-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81000;MM81000;C=CC(NC)C(C)C(=C)C;HRPFWUHFPFCNTJ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81001;MM81001;CN=C(NC)C(=N)N(C)N;GYMXEGSYPWLQBM-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81002;MM81002;CC=NNC(=O)CCCN;GIIOLYOTOURUEX-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81003;MM81003;C#CC(C=C(C)C#N)CO;BPDKSIQPKOFALS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81004;MM81004;C#CC(C=C(F)C=O)CO;KWZOWBPLTAROHZ-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81005;MM81005;C=CCC(C)C(N)C(C)N;UGEILQMOGMCRNA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81006;MM81006;CC(=CC(C=O)C=O)CO;PFIXJLKDEGZCKI-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81007;MM81007;CC(=CC(C#N)C#N)CO;OZASDDCWOSVBSV-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15816;MM15816;COC(C)=CC(C#N)C=O;YSKGRNGALHUDDY-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81008;MM81008;CC(=CN(C=O)C=O)CF;XJNNXFPEGJHTOK-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81009;MM81009;O=CN(C=O)C=C(F)CF;ZGNQEMKNHHDLEY-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81010;MM81010;COC(C)=CN(C=O)C=O;UJBDFRQORCBTEM-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81011;MM81011;C=CCC(N)C(N)C(C)C;UPNXKUNDMYMZHN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81012;MM81012;CNCC(C=CF)=CCN;ZBHQQBUEDWGZCJ-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81013;MM81013;C=C(CN)C(N)(CC)CC;LVYVEJOJAQDTPI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81014;MM81014;C=CC(C)NN(C=N)CC;XAJHXLZWPWBGJP-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81015;MM81015;CCN(C=O)CCC(C)N;OZUNCSCZTOGSEZ-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81016;MM81016;CNN(C=N)CCC(C)C;QOMJDUXAJKIOMJ-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81017;MM81017;C=CC(C)C(N)C(N)CC;RFMMZKBTZXLWAD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81018;MM81018;CN(CCCN)CCCF;KODZZPHBGCGAPA-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81019;MM81019;CCC(N)C(N)CCCF;SNABDKWIUVZMNM-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16037;MM16037;N#CC(C#N)C=C(F)C=O;WTNUGNZGBICONP-UHFFFAOYSA-N;138.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81020;MM81020;C#CC(=C)C(N)CNCC;JQFPFHDWRYKXCF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81021;MM81021;C#CCCC(=N)N(C)C=N;UXDCOBPUCYOYRI-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81022;MM81022;CNN=CCCN(N)C=N;WCKLYMOWQKOKOE-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81023;MM81023;C#CC(=N)NC=CCC#N;BBPZAQVCRVTLKW-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81024;MM81024;C=CC(C)=CN(C=O)C=O;RNOAEIBOAMKCAD-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81025;MM81025;CNCC(CC=CF)NC;RZJCOYCJVCMTCD-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81026;MM81026;CC=CC(CCNC)=NN;BYENZYKEACSOEJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81027;MM81027;CNCCC(C=CF)=NN;WLQMZPPRKJFWTM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81028;MM81028;CNCC(C=CCN)OC;LMJFQSDDYJFSFO-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81029;MM81029;O=CC(F)=CN(C=O)C=O;XODUJBSTLBHRCV-UHFFFAOYSA-N;145.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81030;MM81030;N#CC(F)=CN(C=O)C=O;CRAJQTBTWXTSLA-UHFFFAOYSA-N;142.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81031;MM81031;C=CC(CCNC)=NNC;AYAMZJYCCAIDTB-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81032;MM81032;C=C(C)C(CCNC)=NN;GVEWWZYMPDFFME-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81033;MM81033;C#CC(C#CCCN)CN;HQTPFFKZESMAGC-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81034;MM81034;C=CN(C=O)N=C(C)C#N;OYGIQOHLQYNJIK-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81035;MM81035;C=CCCCNCCNC;GYGHTCMPPQYCNM-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81036;MM81036;CC(C)(N)CN;OPCJOXGBLDJWRM-UHFFFAOYSA-N;88.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81037;MM81037;CC(C#N)=NN(C=O)C=O;DJSLCCJOLBTYPT-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81038;MM81038;C#CC(C)=CN(C=O)C=O;VRVFYBXTMNFKAY-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81039;MM81039;CNCC=CCN;ICJKCSFHXVDPOA-UHFFFAOYSA-N;100.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81040;MM81040;C#CC(F)=CN(C=O)C=O;PGLFQJGSJJPPJS-UHFFFAOYSA-N;141.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81041;MM81041;C#CC(F)(F)CCN;WVENBXGHMHYIPP-UHFFFAOYSA-N;119.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81042;MM81042;C#CC(C=O)C=C(C)CO;RXRHCPBQIACION-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81043;MM81043;C#CC(C=O)C=C(F)CO;JTLHTHXVSRAIRE-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81044;MM81044;C#CC(C#N)C=C(F)CO;BUSRGUSSMDXEBM-UHFFFAOYSA-N;139.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81045;MM81045;CC=CC#CC(=N)N;AFYULYCXXJHOTK-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81046;MM81046;CCNC(C)CNC;IDVZGQNFJWCAQR-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81047;MM81047;CC(C)C(N)C(C)N;WANBQZBCWWTMCD-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81048;MM81048;CC(C)CC(C#N)C(=N)N;LERAQAKMESMOGV-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81049;MM81049;CCCNC(=N)C#CCO;ATXLQLNGMMLAKZ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81050;MM81050;N#CC(=N)NC=CF;XOPADPGNWXDJPY-UHFFFAOYSA-N;113.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81051;MM81051;C=NNC(C=O)C(O)C#N;YMQHBVXPQDETLT-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81052;MM81052;C#CC(O)(C=C)C=NN;DMBRMBJZENKPRX-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81053;MM81053;CC(=O)NNCC=C(C)F;WYDFQKYDNGBYQW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81054;MM81054;CCNCC(C)NC;WYPOUQXPXVMTSM-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81055;MM81055;C#CCNNC(=O)C=CC;ZXFKFIFCRLVNCT-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81056;MM81056;CNCCC#CCN;VAOUTIMULNJPSF-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81057;MM81057;N#CC=C(N)NC(N)=O;PJPIHOMJTFEEDB-UHFFFAOYSA-N;126.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81058;MM81058;C#CC(C)C(O)C(C)NC;GUXPMSLFJGEVCW-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81059;MM81059;C#CCNC=NOC(N)=O;CWXCXFUFBDHBCE-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81060;MM81060;C=NNC(=N)OC(N)=O;MHJPIUKSEXVGGY-UHFFFAOYSA-N;130.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81061;MM81061;CC(=NOC=O)NO;IQXLPGXBOXPANY-UHFFFAOYSA-N;118.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81062;MM81062;CC=CC=CN(O)C(=N)N;UZPVAVXGHDVXLP-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81063;MM81063;COC(C)=CC(=NO)NO;TZDMFFGMJZEDNK-UHFFFAOYSA-N;146.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81064;MM81064;CC(C)(N)CC(O)CO;IZANGCKJAVWBMJ-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81065;MM81065;COC(C=C(N)CF)=NO;YUZZMOUKNZJTJF-UHFFFAOYSA-N;148.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81066;MM81066;C=CC(C=C)C(O)CNC;JUJXIRGPLPGXKD-UHFFFAOYSA-N;141.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81067;MM81067;CC(F)CC(C)(N)CO;PJKSFZHLEAFVBE-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81068;MM81068;CN(C)C(C#N)C#CC=O;LKQJLEGMFQGTAS-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81069;MM81069;COC(=NO)NC(C)=NO;SOOBVMOBCFNYAK-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81070;MM81070;CC(C=O)=CC(CF)=NO;XTMFALNQJDZZSH-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81071;MM81071;CCC(C=C(N)C#N)=NO;NOJOKVSJTCPABY-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81072;MM81072;N#CC(F)=CC(CO)=NO;MVVJSMLPONSOKD-UHFFFAOYSA-N;144.11;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81073;MM81073;CCC(F)CC(C)(N)CO;QTCAKKUTQMFSLS-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81074;MM81074;CNC(C)(C)CO;LHYBRZAQMRWQOJ-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81075;MM81075;CC(CCF)C(=N)NO;BTFPKQYJPVBYKN-UHFFFAOYSA-N;134.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81076;MM81076;N#CC(N)=CC(=NO)NO;GLYJYJHJYAQJKH-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81077;MM81077;COC(C=C(C)C=O)=NO;CRMRPMGMRKIKFF-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81078;MM81078;COC(C=C(C)C#N)=NO;OFBNWPBGEGXFIL-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81079;MM81079;COC(C=C(N)C#N)=NO;CLGTVPQCJBJKPC-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81080;MM81080;C#CC(C)=CC(CO)=NO;LBEWWOFXNWRCJH-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81081;MM81081;CCN(C)CC(C)(C)N;WGBQMTRKPCBRGO-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81082;MM81082;CC(F)CCC(=N)NO;OOSDYRSSBAMMFA-UHFFFAOYSA-N;134.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81083;MM81083;C=C(C)C(C)(CO)CNC;WLJPLQSRKQUUFI-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81084;MM81084;C#CC(C#N)NN=CC;MOMXZQMFYYBYAL-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81085;MM81085;CON=C(C)CC=O;QJBLRDUTJAGXDC-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81086;MM81086;C#CC(N)=CC(=NO)OC;UJGSMRCWZZBRMA-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81087;MM81087;C#CC(CO)C(C)(C)N;AIFDODFBIDJVPU-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81088;MM81088;CCC(N)=CC(C#N)=NO;LOHGMDJAFMCSCW-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81089;MM81089;C#CCCC(CO)NC;UUFBDEOIILQEHB-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81090;MM81090;CC(=NO)N=C(C#N)NO;CFWARZLMOCFNIY-UHFFFAOYSA-N;142.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81091;MM81091;CC(C=O)=CC(C=O)=NO;CGWZYGKRQBAZFZ-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81092;MM81092;CC(C#N)=CC(C=O)=NO;IONBDUYTYVEZMQ-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81093;MM81093;C=CC(C=C(N)C=O)=NO;REKWHTGCNPIKKI-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81094;MM81094;C=CC(N)=CC(C#N)=NO;MHXAZNNNCRKKBY-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81095;MM81095;N#CC(C=C(N)C=O)=NO;AGLFSSQEXOSFMX-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81096;MM81096;N#CC(N)=CC(C#N)=NO;BHVZQCNXIQTDGJ-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81097;MM81097;CC(CF)C(C)(N)CN;NNBDAWJVMDITAC-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81098;MM81098;CC(C)(O)CC(N)CCF;XHBQIIQSRHVEIR-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81099;MM81099;C#CC(N)=CC(C#N)=NO;ZKBBESKGQCXRPA-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81100;MM81100;C#CC(=CCO)NC=N;RWQSOISFBHVFPR-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81101;MM81101;CCC(N)(CN)CCF;YAMWMLMHKLIFLJ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81102;MM81102;CCN(C=N)CC(=O)C#N;ZUXLTOIHCLPPGR-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81103;MM81103;C#CC(C=C(N)C=O)=NO;SWQQFOLCLXLGKE-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81104;MM81104;C#CC(C=C(N)C#N)=NO;ZHFLASGMIBBDHS-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81105;MM81105;CCC(C)C(N)C(C)N;IZTLTHGHNQLHIG-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81106;MM81106;C#CC(N)=CC(C#C)=NO;MANXGDRVPYELMK-UHFFFAOYSA-N;134.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81107;MM81107;C=CCC(CNC)NC;UECJZLUMAMZUMY-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81108;MM81108;C#CC(CC=C)NC=N;OGDMPPGPACWFGD-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81109;MM81109;C=CC(=NCC)NNC;MMCRZPCTJIDVTE-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81110;MM81110;C=CC(CNC)N(C)C;AUDGSVVDVDOZOZ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81111;MM81111;CC(C)(F)CC(N)CCO;DGDRJQORGYQTBK-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81112;MM81112;C#CC(CN)C(N)CC;ITNVVHWDHAPMRH-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81113;MM81113;CCCCN(C=N)NC;HPQSTFHLCNTBLV-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81114;MM81114;C#CC(C)C(N)C(C)(C)N;CBAIVPIOFRYSJQ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81115;MM81115;CNCCC#CCCO;YOOIVCWZKPUKKW-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81116;MM81116;CCN(C=N)NC(C)(C)C;YEDKNHAXSYXLSD-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81117;MM81117;C#CC(N)CC(C)(C)CN;HFOAODBHNXXGPM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81118;MM81118;C#CC(C)CC(C)(N)CN;MZHKFUNNWOHOOH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81119;MM81119;CNCCC#CC(C)CO;LJYGGDMPSOJIOZ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81120;MM81120;CCC(O)C=C(CO)OC;MZYGCIQUZZBAJE-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81121;MM81121;C=NNC(=NCC=O)OC;BWDCOAAHDPKHSV-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81122;MM81122;COC(=CC(C)OC)CO;CYPDFJDBSLQDPT-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81123;MM81123;CCC(N)(CN)CC(C)F;CMISJAQTUGAKGR-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81124;MM81124;C=NNC(=N)NC(=C)CC;SMCNHNDQLRRHSG-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81125;MM81125;C=C(C)CC(=N)NCC#N;AAHZPDKJLVFNSU-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81126;MM81126;C=NNC(C)C(=O)C#N;RNCYDUVLPUZAOG-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81127;MM81127;CC(C)(CN)C(N)CCF;FLIBSXBXAAFHQQ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81128;MM81128;NCCCC(N)=O;WCVPFJVXEXJFLB-UHFFFAOYSA-N;102.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81129;MM81129;C=NOC(C#N)CC(C)=O;UXMBFXXEZRKDED-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81130;MM81130;N#CCC(=N)NC(=N)N;DRLOUHZBVZOTRZ-UHFFFAOYSA-N;125.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81131;MM81131;CC=NNC(=NNC)OC;WCICGMGXNWBZDV-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81132;MM81132;C=CC(C)NN=COC;XSJLEXTWQFMDJQ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81133;MM81133;CNN=CN(N)C(=N)NN;RDHYBSNIXRHTFM-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81134;MM81134;CCCC(N)(CN)CCF;YKHRHMVOPBHGHA-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81135;MM81135;C=CC(C)OC=NNC;ZUSYKKUOZSUGAU-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81136;MM81136;CC(C)C(C)(CN)C(C)N;FALXIDYWGDJZDK-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81137;MM81137;CC(=NCCN(C)C)NN;OAUMMTIYMQCSKW-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81138;MM81138;COCC(C)CN(N)C=N;QQJHJDGNVUIUFV-UHFFFAOYSA-N;145.21;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81139;MM81139;CC=NNC(=N)OC=O;ZRLMXYJCVBLTKD-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81140;MM81140;CC(C=O)C=C(CO)CF;RDLHVZCSIZYNFK-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81141;MM81141;COC(=O)ON=CC=NN;MTCDVNUFQUXURK-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81142;MM81142;CCOCC=NNCC#N;MOCBMPGHUYMQKE-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81143;MM81143;CNC(C)(C)CC=O;REEWJOWVRRCQSH-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81144;MM81144;COC(=CC(C)C#N)CO;FMFYHGIDQIRNLI-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81145;MM81145;CCC(=CC(O)C=O)OC;BDJKHPZBFSDAOS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81146;MM81146;COC(=CC(O)C#N)CF;WMKQSXKQFDANGA-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81147;MM81147;C=NNC(=NC)NC;QSAUUIWLUYFEIG-UHFFFAOYSA-N;114.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81148;MM81148;CNC(=N)NN=CCC#N;IYGDLXYJVORHFA-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81149;MM81149;C#CC(=NN)N(N)C(=N)N;RTAGRRDIQPWIGC-UHFFFAOYSA-N;140.15;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81150;MM81150;CN(C=O)N=C(CO)CO;ZOVZHNGYOMPBLM-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81151;MM81151;CN(C=NN)C(=N)NC=N;FAPUVSWGAKBNIJ-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81152;MM81152;C=CCN=CN=CNC=O;BQUOQKVQEHLBCC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81153;MM81153;CNC(C)(C)CC(C)=O;WYMGVBJKEPKVNH-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81154;MM81154;CCCN=CNC=O;STFBUXVOMWZFSE-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81155;MM81155;CC=NN(CC)C(=N)N;WPYUCFVTFMWXMT-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81156;MM81156;CCC(F)=CC(N)CCN;ZBAGOWHJSCWPGC-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81157;MM81157;C#CC(C)C=C(CO)OC;HTOUYBVDOWYIRW-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81158;MM81158;C#CC(O)C=C(CO)OC;JVEPDRBFFXMZAN-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81159;MM81159;C=CC(F)=CC(N)CCN;KXFWLYFJFCJCJG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81160;MM81160;CN(C)C(=N)NC(=O)NN;WWFOQZJKINBTSM-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81161;MM81161;CC(C)(N)C=CC=NO;PVZCGKMIGVJRDB-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81162;MM81162;CCCC(C#N)C(=N)N;GZIHUKSXUYDDIF-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81163;MM81163;CCNC(CN)CC(C)F;NWBOLNODQUUQBU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81164;MM81164;N#CCC=CC#CC(=N)N;HRQFYEDXQGBVIC-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81165;MM81165;C#CC(C)(O)C(=N)N(C)C;IUGOHOIZXDGONR-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81166;MM81166;C=CC(=CC(O)CO)CF;MFINVSRJBJDBRP-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81167;MM81167;CCNC(C)COCCN;HMGIWOOKZJFJJT-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81168;MM81168;C#CC(O)C(=N)N(C)C;GJOFSSBFVDMNFZ-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81169;MM81169;COC(C)C=C(C#N)CO;RIEPORVEGXSKCU-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81170;MM81170;COC(C#N)=CC(C)CO;BIQACAORIWIVAX-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81171;MM81171;C=CNC(=N)N(C)N=CC;QHDQITFKXVMMFF-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81172;MM81172;C#CCN=CN(C)C(C)=N;IZWMTPXUHFUXJK-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81173;MM81173;CC(C=O)C=C(C=O)CO;SERUQEVNEKOJOA-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81174;MM81174;CC(C#N)C=C(C#N)CO;DTVFFGZIQHEYGJ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81175;MM81175;CN(C)C(=NC=O)C(=N)N;HNZVUUHHZCWWNG-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81176;MM81176;C#CC(O)C(C)(C)CNC;CKWQPVKYIIXUSS-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81177;MM81177;C#CC(F)(CO)CC(C)N;HDKWMWPMDGPRDO-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81178;MM81178;C=CC(=CC(O)C#N)CO;OCFKGAKGZYINNH-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81179;MM81179;C=CC(O)C=C(C#N)CO;UQXUVJCILKDCOM-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81180;MM81180;COC(C#N)=CC(C)C=O;VSUGGJLURGBFBI-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81181;MM81181;COC(C=O)=CC(O)C#N;ZMXHZVUJJBZSDZ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81182;MM81182;COC(C#N)=CC(O)C#N;VDZTUDGYWKCPQC-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81183;MM81183;CCC(C=O)=CN(C)C=O;XIDCBFRHOHGYKX-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81184;MM81184;CN(C=O)C=C(C#N)CO;SYAAVXATRUOEJP-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81185;MM81185;CN(C=O)C=C(C#N)CF;WFVKBSMERACQQI-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81186;MM81186;CCC(CC)(CN)C(C)N;MYKVQSNUFKRTFF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81187;MM81187;CCC(C#N)=CN(O)C=O;RLXWGWMAHAVMJW-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81188;MM81188;N#CC(=CN(O)C=O)CO;QFSAGXXZXOAVKA-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81189;MM81189;N#CC(C=NNC=O)=CN;DVHDYIQTXKLDEN-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81190;MM81190;CNC(C)C=C(CN)CF;ZPMYYFFAHHOSHY-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81191;MM81191;C=NN(C)C(=NC)NCC;YFIJWHZICBKDGF-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81192;MM81192;COC(C#N)=CN(C)C=O;LVKYBZHCYCWWAV-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81193;MM81193;C=CC(O)C(C)NCC;HMWDBFMPZMVKPH-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81194;MM81194;C=C(C)C(O)CNC(C)C;QRMBIVFTCFMKCY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81195;MM81195;C=NN(C)C(=NCC)NC;YFIJWHZICBKDGF-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81196;MM81196;C=CC(CNC)=C(C)CN;MFFWWHKWUYMZKH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81197;MM81197;CC=CCC(CNC)NC;GCVKWTGHDWEYBG-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81198;MM81198;CCC(C#N)=NN(C)C=O;HQGPYBQPSFOLLM-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81199;MM81199;CCOCC(O)CCNC;KPRMODUMSNZKGU-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81200;MM81200;NN(C=O)CC=NNC=O;RYSFPCRQDJIETC-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81201;MM81201;CN(C=O)N=C(C#N)CO;DRIAMAUGBURGPA-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81202;MM81202;C=CC(N)C(CN)C(=C)C;DOJVRZRQQKOMCN-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81203;MM81203;C=CC(=CF)C(N)CCN;LLQAYUVGRWUGBL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81204;MM81204;CC=NN(C)C(=NC)NC;MCXFQTNCEDEHIQ-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81205;MM81205;COC(C#N)=NN(C)C=O;ZNQUNVOTASROTL-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81206;MM81206;C#CC(O)C=C(C#N)OC;SOYMHTFYIDBURV-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81207;MM81207;CCNCCOC=CCN;NKPJMRUDHVZZSR-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81208;MM81208;C#CCNNC(=O)C(C)C;WAQWGIYIGBZEHO-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81209;MM81209;C#CC(=O)NC(N)=CC#N;CZCCQEJFMSKKSA-UHFFFAOYSA-N;135.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81210;MM81210;C=CC1CC1N;UFALAUZAIDONSZ-UHFFFAOYSA-N;83.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81211;MM81211;CNC=NC=COC;XMLUJXAKBHYTRC-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81212;MM81212;CNCC(C)(CN)CF;DPOXTABIFNXKTM-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81213;MM81213;C#CC(=CC(O)CO)CC;RVAVVBKHWMYCDT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81214;MM81214;C=CC(O)CNC(C)C;KPKIKEVCISRUEC-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81215;MM81215;C#CC(=CC(O)CC)CO;HTVPDUPOYMBQNT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81216;MM81216;C#CC(F)C(=O)N(N)C=C;NWJBRETUPRNCCO-UHFFFAOYSA-N;142.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81217;MM81217;CNC(=O)NC(N)=CC#N;SUMOZTXBXUITPI-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81218;MM81218;C#CC(=CC(O)CO)OC;RKAZDVGGTOYWNO-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81219;MM81219;C#CC(=CC(C)C#N)CO;FEUQKRGWJLPLEV-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81220;MM81220;C#CC(C)C(O)CCNC;KCZCGGNXZUNFFI-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81221;MM81221;C#CC(=CC(O)C=C)OC;TZPSJYVPGQUAQS-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81222;MM81222;C#CC(=CC(O)C#N)OC;KUZWQYPFOZHGEL-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15796;MM15796;C#CC(=CC(F)C=O)OC;XGSPWICAAFUZJW-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81223;MM81223;C=CC(C)(C=O)CNC;YZMZALYPFXAUQK-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81224;MM81224;C#CC(=CN(O)C=O)CF;WDRPXPDRTNHXOU-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81225;MM81225;CCC(C)(CN)C(C)N;VAIAOQVPALVYGP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81226;MM81226;C#CC(=CN(C)C=O)OC;ZMDYYMRQNLPUFR-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81227;MM81227;C#CC(=N)NC=C(C)C;AKOFBNWGNBKVCW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81228;MM81228;N#CCCC(=N)NC=N;IVOOJFWAOOXRPL-UHFFFAOYSA-N;124.15;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81229;MM81229;C#CC(=CN(O)C=O)OC;QVCXCVGWHMOMJD-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81230;MM81230;C=C(C=CCN)CNC;BSWXWXLWHXZSOM-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81231;MM81231;C=C(C#CC#N)NC=N;FTIKXLSPGZJZPR-UHFFFAOYSA-N;119.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81232;MM81232;C=C(C=CCNC)CN;ADGLHICKJWUTAN-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81233;MM81233;C=C(CC)C(=N)NC=N;DEYOHAMYTDHBFP-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81234;MM81234;CCOC(CO)CCNC;OVIDMQCXJBGMNW-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81235;MM81235;C#CC(=C)CC(C)(N)CO;DBZYOVIDYQTPMK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81236;MM81236;C#CC(=CC(O)C#C)CO;NRTQJZOTLZVASK-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81237;MM81237;C=CC(C=NN)CNC;NDKZBLFJCVHSKH-UHFFFAOYSA-N;127.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81238;MM81238;C#CC(=CC(O)C#C)OC;XRYHKPAXMQZNCN-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81239;MM81239;CNCCC(O)C(C)CF;MRJJLPGOFBOUFL-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81240;MM81240;CC(C=C(C=O)C=O)CF;WCKDZINBCYFKKD-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81241;MM81241;C#CCC(NC)C(C)N;AQFRBFZOMXFXNI-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81242;MM81242;N#CC(C#N)=CC(O)CF;NQARAYJBDYHLRQ-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81243;MM81243;C=CC(N)C(C=C)CN;ROLQSFATIJQNNX-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81244;MM81244;C=CC(C)CC(C)(N)CN;HFSIZBJVMWBXIW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81245;MM81245;C=C(F)CCC(C)(N)CN;SGVRPQZPDZERAW-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81246;MM81246;C=CC(C=O)=CC(O)C=O;PIRZTSIJOYLDBX-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81247;MM81247;C=CC(C=O)=CC(O)C#N;HMCMCZYVBIVMAR-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81248;MM81248;C=CC(C#N)=CC(O)C=O;AFTGTKWXTUVFNO-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81249;MM81249;C=CC(O)C=C(C#N)C=O;VQWDNKGKLPXUMV-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81250;MM81250;O=CC(C=O)=CC(O)C=O;ZXWRPDZHMYYVGR-UHFFFAOYSA-N;142.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81251;MM81251;N#CC(O)C=C(C=O)C=O;YEWDFJBOMGNIMC-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81252;MM81252;N#CC(C#N)=CC(O)C=O;LQZCHCGAQSAOGM-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81253;MM81253;N#CC(C#N)=CC(O)C#N;RTRADGIJACYPKH-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81254;MM81254;C=C(F)CC(N)C=CCN;TVFYCKGUAFEIEV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81255;MM81255;C=CC(C=O)=CN(C)C=O;AXFWYSONPXDNBN-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81256;MM81256;N=C(N)C=C(F)C#CC=O;NDODHXCRXSTMBE-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81257;MM81257;CN(C=O)C=C(C#N)C#N;AJYFVTFVEIEBHJ-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81258;MM81258;CCNCC(O)CCC#N;GPOCSJLEFCLROO-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81259;MM81259;C=CC(C=O)=CN(O)C=O;NJFYXGUYBFLLTQ-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81260;MM81260;C=CC(C#N)=CN(O)C=O;CXPATAIWSCZZKJ-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81261;MM81261;C=CC(C)C(O)CCNC;DTHSAHBKLHVVQY-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81262;MM81262;O=CC(C=O)=CN(O)C=O;WGKRDBUTUNFVAH-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81263;MM81263;N#CC(C=O)=CN(O)C=O;MINVKSLXNPLFRB-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81264;MM81264;CNC(C)(C)COCCN;ZGYHCSDSGZZWBI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81265;MM81265;CCCC(C)(CN)C(C)N;VJCUPJMPSBIVCT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81266;MM81266;CC#CC(=N)NCC(C)N;JRRNSOLMXXFTJI-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81267;MM81267;CN(C=O)N=C(C=O)C=O;MHNHOONFNNNVFQ-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81268;MM81268;CN(C=O)N=C(C#N)C=O;AZZRGVVSCDBPBW-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81269;MM81269;CN(C=O)N=C(C#N)C#N;BKTYFVYUGMAKKM-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81270;MM81270;C#CC(O)C=C(C#N)C#N;IQZKVJFGFASLMT-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81271;MM81271;C=C(CNC(C)C)C(C)C;RMDXVMLWGZOPKX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81272;MM81272;C#CC(C#N)=CC(O)C=C;IKQZBSQOWQLORN-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81273;MM81273;C#CC(C#N)=CC(O)C=O;CEUSMLLHZDRWQP-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81274;MM81274;C#CC(C#N)=CC(O)C#N;SHDBRZWPBFJENS-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15755;MM15755;C#CC(C=O)=CC(F)C=O;DKNZAQRXJQQAJX-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81275;MM81275;C#CC(C#N)=CN(C)C=O;HSDOJVPDTWAIHQ-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81276;MM81276;C#CC(C=O)=CN(O)C=O;UBKZXJHISADOCC-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81277;MM81277;C#CC(C#N)=CN(O)C=O;WJDNHUNJGNLBEY-UHFFFAOYSA-N;136.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81278;MM81278;CC(C)=C(C)CNC(C)C;LEZQWNOQUVKBOM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81279;MM81279;C=C(C=NN)NC(C)=NC;VJZBOCZUPJKAFL-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81280;MM81280;C=C(C=C(C)CN)CNC;QZWTWEMHSHSWJF-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81281;MM81281;C=C(C)NC(CNC)=NC;DGGNWEMTWFZKPB-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81282;MM81282;C#CC(CC(C)N)=NOC;BIBRPBRMNCTGKG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81283;MM81283;C#CC(C#N)=NN(C)C=O;GXDZUZKVOPUQRO-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81284;MM81284;C#CC(C=O)=CC(O)C#C;BFKFLSQMRIBRBO-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81285;MM81285;C#CCC(O)CCNC;UOYKNPHIQDYCBP-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81286;MM81286;C#CC(C#C)=CC(O)CO;UNLCKUIPSVXAEN-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81287;MM81287;C#CC(C#C)=CC(O)C=O;APHSFTRLLTWCAQ-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81288;MM81288;C#CC(C#C)=CC(O)C#N;HOKZAPOMPQROAB-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81289;MM81289;C=C(C(=CF)CN)C(C)N;WRQJSZIHGNKTQL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81290;MM81290;C#CC(C#C)=CN(C)C=O;WXJUWHALJTVZDC-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81291;MM81291;CC(F)=C(C)C(N)CCN;OILBFXFGLSBECS-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81292;MM81292;C=CNC(CNC)=NCC;HPDXZHXWSPHJHD-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81293;MM81293;CCNCC(O)CC;JRLAKNMVEGRRGK-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81294;MM81294;C#CC(C#C)=CN(O)C=O;UYENGSGKSDXICH-UHFFFAOYSA-N;135.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81295;MM81295;COC=C(C=NN)C(=N)N;WMZLRAJIGRQVEK-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81296;MM81296;CCCNC(C)(CN)CN;GDDFCMUELZPDDH-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81297;MM81297;C#CCC(CC)(CN)NC;YARJUXILAMEWGU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81298;MM81298;CCC(=O)C(C)=CN=CN;KALIIUFFNNWFMJ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81299;MM81299;CCC(=CC(=O)CO)CF;QZLROZOFLOJKFL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81300;MM81300;C=CC(C)CNCCNC;YSOBAIBSMJEFAK-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81301;MM81301;C#CC(C)CNCCCF;KSSIJFWOWQCAMB-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81302;MM81302;CNCCC(O)C(C)C;HYOHZBBXRSCVKA-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81303;MM81303;C=CC(N)C(C=CF)CN;XMNNIOMRDFWCQO-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81304;MM81304;CCC(=CC(=O)CO)NC;AQNMEEGMACRTFZ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81305;MM81305;NN=CCOC=C(F)CO;ZGJMMLLJGPXWKE-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81306;MM81306;C=COCCCC(=N)NO;IDMFORNHXFTIND-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81307;MM81307;C=C(C=C(CO)OC)CO;OAIGIZJPFQELAT-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81308;MM81308;CCC(=CC(=O)CO)OC;YOBGVAGHKVEUCW-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81309;MM81309;CCC(=O)C=C(CO)OC;RBEDZBWYWMVIOS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81310;MM81310;C#CC=CC(CCN)NC;LMCOIYOBIHXAQP-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81311;MM81311;N#CCNN=CCC(N)=O;NQMOECAQVRYUBV-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81312;MM81312;CNCCC(O)CCF;RIRCNCXRVBTBFE-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81313;MM81313;C=CC(C=NNC)CNC;GMWFKWJDSYHDQS-UHFFFAOYSA-N;141.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81314;MM81314;C=CC(C=NOC)CNC;GTQNOSBIAWMXHQ-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81315;MM81315;CC(N)C(CF)C(C)O;OIVLPADYRAAYOZ-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81316;MM81316;C=C(C)CC(O)CCNC;UHWHSQFCNVFPIT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81317;MM81317;C=NN(CC)C(=NC)NC;FAYHBCVNNMGIPT-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81318;MM81318;C=CC(CN)C(N)C=CC;GECPDQDDIIGGMA-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81319;MM81319;CNN=CC(C)(F)CO;UWBSVWUWUIXSDH-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81320;MM81320;NN=CC#CC=CNC=O;FWNWIGZWPBAGPH-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81321;MM81321;CNC(=CC(=O)OC)OC;SBRHXNWMPVONFD-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81322;MM81322;CNCCC(O)CCCF;FDDIUAWGUJRVKV-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81323;MM81323;CNN=CN(O)C(C)C#N;OXMJHDNRLYCGIM-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81324;MM81324;CCC(O)CCNC;VBLBSFNRAOOBCS-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81325;MM81325;CNN=C(CO)CC(C)F;RIZXGAPQMWFCPI-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81326;MM81326;NN=CN=CN(O)C=CF;YYTXIWOVUCBVAV-UHFFFAOYSA-N;146.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81327;MM81327;CC(N)C(CO)C(C)F;CUVZQAAHVYKJGI-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81328;MM81328;CNC(=O)N(C=N)C=N;KATCNBKDLANCAB-UHFFFAOYSA-N;128.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81329;MM81329;C#CC(CO)C(F)C=NN;DBPSJXUVFYYMGP-UHFFFAOYSA-N;144.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81330;MM81330;CC(C)(O)CCOC=NN;UCWOYRFKSSRQHI-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81331;MM81331;C=C(C#CC(C)=NN)CO;XMXUVFCTQFEGGY-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81332;MM81332;C#CC(=C)C(CO)CNC;QESXLSKURAFCHY-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81333;MM81333;CNC(=O)N=C(NO)OC;YJYLYMQDEXTXLP-UHFFFAOYSA-N;147.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81334;MM81334;CCC(=CF)C(N)CCN;DKGKKFRQRRXXDL-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81335;MM81335;C=C(C#N)C=C(CO)CO;MVCCSIAWFSRCFE-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81336;MM81336;O=CC(=O)C=C(CO)CF;SWSUXWUHNOVOJM-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81337;MM81337;C=C(C=O)C=C(CO)OC;RDCAUYMOHKJRCW-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81338;MM81338;C=CC(=O)C=C(CO)OC;AKHJWNVLKXYPIT-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81339;MM81339;COC(=CC(=O)C#N)CO;BXIMGPQPECPJCS-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81340;MM81340;COC(=CC(=O)C=O)CF;WJVKHBOOUJKZCH-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81341;MM81341;C=CC#CC(=N)N;SDBMYDYSCDJLAF-UHFFFAOYSA-N;94.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81342;MM81342;CNC(=CC(=O)C#N)NC;CPUGPYFFDUVTHP-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81343;MM81343;CNC(=CC(=O)C#N)OC;SGBDNKBEPPKQFJ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81344;MM81344;OCCCCCNCCO;UFMWZOFXJMRHDM-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81345;MM81345;CNCCC(C)O;CVCDGQVQQGSYMK-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81346;MM81346;CNCC(CF)CC(C)O;RHLGNVNCWUIAGF-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81347;MM81347;C#CCC(C)(N)CCO;JQKGSCSAZDTBCT-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81348;MM81348;CC(F)CC(N)CCO;MYXKOSRRJKNMGV-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81349;MM81349;C=CNC(=NC=NN)NN;TUSWZZAQYVMHHK-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81350;MM81350;NN=CON=CC=CCO;SRUZBFVXNKAZIU-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81351;MM81351;N#CC=C(CC=O)NC=N;PNBJQDRVKYCTQJ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81352;MM81352;CCC(CN)C(C)C(N)=O;VEOFVGIXYIEYSW-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81353;MM81353;C#CC=NN(C)CC=O;NYNBGPMNABNFTJ-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81354;MM81354;C#CC(=O)C=C(NC)OC;BZRVEPHSMXKGGK-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81355;MM81355;CN=CN=CNN=CC=O;CHGLVPYQVKESDT-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81356;MM81356;N#CCCC(C#N)C(=N)N;RSWKIGKYGQOYFM-UHFFFAOYSA-N;136.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81357;MM81357;C#CCCC(C#N)C(=N)N;ZCUJNZCKZUSVAE-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81358;MM81358;N=C(N)C#CC=CCC=O;QSGXMKYBOMKTBE-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81359;MM81359;C=NNC(=NCC)NC;QVMNFWFLGMKYSH-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81360;MM81360;C=NNC(=NC)NCC;QVMNFWFLGMKYSH-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81361;MM81361;CC=NNC(=NC)NC;XHXGFKNGHLVTSX-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81362;MM81362;C=CC(C)C(C=O)CNC;OQYMKICUBPJJTL-UHFFFAOYSA-N;141.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81363;MM81363;CC(C(=O)C#N)N(C)C=N;AKFRTCLBGOYKQY-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81364;MM81364;CC(C)=NNC(=N)N;HAHCPVYIYQRMBZ-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81365;MM81365;CCNN=C(NN)C(=N)N;RBRSFEKIAKBUOG-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81366;MM81366;C=CNC(=NN)C(=N)N;SPGTZHKTNCAUOC-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81367;MM81367;C#CC(=O)N=C(NO)OC;MCIALXBMTMOEQL-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81368;MM81368;NCC(CN)CN;XXZJETFEIRYFCD-UHFFFAOYSA-N;103.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81369;MM81369;CNC(=N)C(=NN)NC=N;GCQHPVUCDMMLGL-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81370;MM81370;CCC(C#N)=CC(=O)CO;GJBUGQDCKBOVKZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81371;MM81371;CC=CNC(=NN)C(=N)N;QHNDMVNCJLPIRY-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81372;MM81372;C=CC(=CC(=O)NC)CO;HWRZTANRTYPDIH-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81373;MM81373;CNC(C=O)=CC(=O)CO;VYNMQODVNHIBNQ-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81374;MM81374;CC(F)=CC(C)(C)N;ATEWFZXBCJBNJN-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81375;MM81375;CN(C=N)C(=N)NC=NN;NGCXISFNMZCVNS-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81376;MM81376;C=NN=CNC(=N)ON=C;OHGDGALJGSZPOG-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81377;MM81377;C=NNC(=NN)ON=C;IMWKVYRNUPEDHE-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81378;MM81378;CNC(C#N)=CC(=O)NO;ACRPCBVIGZCUQE-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81379;MM81379;CNC(C#N)=CC(=O)OC;DXTLFSKCVFLUSZ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81380;MM81380;C=CC(=CC(=O)CO)OC;POGXEGIJNBXNTB-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81381;MM81381;COC(C=O)=CC(=O)CO;ISVMMULBFLMBBY-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81382;MM81382;CCCC(C)(N)CN;XUDPMVLRRITCFQ-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81383;MM81383;CCC(=CN=CN)C(C)=O;XLYDIFNJZUXPKR-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81384;MM81384;CNC(=O)C=C(C#N)OC;PNGFXLGCXBHOMN-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81385;MM81385;COC(=O)C=C(C#N)OC;CLPIWEBAKCEGSG-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81386;MM81386;C=C(C=O)C=C(C=O)CO;PVXDCCGCZCPJGP-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81387;MM81387;C=C(C#N)C=C(C=O)CO;ZQOMGMGPBSWJEN-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81388;MM81388;O=CC(=O)C=C(C=O)CO;NJULDASNMLONQU-UHFFFAOYSA-N;142.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81389;MM81389;N#CC(=CC(=O)C=O)CO;KKGDXBPUAVFKCV-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81390;MM81390;N#CC(=O)C=C(C=O)CO;RXLVKHTYXXQKHB-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81391;MM81391;N#CC(=O)C=C(C#N)CO;SHAMMEMMLYCCTN-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81392;MM81392;CNC(C=O)=CC(=O)C#N;KYNNFAYPAYIMGN-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81393;MM81393;CNC(C#N)=CC(=O)C#N;JXWSKSPKYBPCNU-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81394;MM81394;COC(C=O)=CC(=O)C#N;HARMILSYBPLUDT-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81395;MM81395;COC(C#N)=CC(=O)C#N;FHAKHZIHUOSHFX-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81396;MM81396;C#CC(=O)C=C(C=O)NC;NDWMXWOAZMABTA-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81397;MM81397;C#CC(=O)C=C(C#N)NC;DJCQZAREJGPCQL-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81398;MM81398;C#CC(=O)C=C(C=O)OC;BLGYVTYWRDUDOX-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81399;MM81399;C#CC(=O)C=C(C#N)OC;XUXPGGMVTMWOMK-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81400;MM81400;C=CCC(CNC)C(C)=O;ITVSFZCKUFIXNX-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81401;MM81401;NCCC(F)(F)CF;ACLVQBXCZDSHTB-UHFFFAOYSA-N;127.11;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81402;MM81402;CCCNC(=N)NOC=O;HWEUQRPFRGARKA-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81403;MM81403;CC(N)C(C)(C)CN;KMKROLUYWRLWCT-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81404;MM81404;C=NNCC(C#N)CC#N;FRQZTCIRWICXHA-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81405;MM81405;COC(C#N)=CNC(C)=N;KJRRCEMPKIHEBR-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81406;MM81406;COCOC(C=O)C(=N)N;LWVNGISSKRMJBD-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81407;MM81407;C#CC(=CC(=O)NO)NC;UMAHZGVUNXCPRW-UHFFFAOYSA-N;140.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81408;MM81408;C#CC(C)(C=NO)C(C)N;QZRSNNXFZZDKPY-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81409;MM81409;C#CC(=CC(=O)NO)OC;IRJVRTAXQRNKCI-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81410;MM81410;C#CC(=CC(=O)C#N)CO;HYZQTBKFOMELCU-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81411;MM81411;C#CC(=CC(=O)C#N)NC;NWVNQCWCNYSEQS-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81412;MM81412;C#CC(=CC(=O)C#N)OC;ASHGPVKFDKVIAH-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81413;MM81413;C#CC(=O)C=C(C#C)CO;CUKNIJLHGDTIAY-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81414;MM81414;C=C(C=C(C#N)C=O)CO;PVOMXYCDIQVRIN-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81415;MM81415;O=CC(C=O)=CC(=O)CO;QKUFWTBEHJACDT-UHFFFAOYSA-N;142.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81416;MM81416;N#CC(C#N)=CC(=O)CO;OPZHKXJBXZXYER-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81417;MM81417;N#CC(C=O)=CC(=O)CF;VDAMGITWMLBMCR-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81418;MM81418;CCC(=N)NC=NCC#N;SDVRMHANWZISHY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81419;MM81419;N#CCNC(=N)C#N;GANATBKSLDOXCF-UHFFFAOYSA-N;108.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81420;MM81420;C=NNC(=O)CC(C)CN;QTLQUTAHZYPOLK-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81421;MM81421;CNC(=O)C=C(C#N)C#N;PHIHLXYNNKNMTK-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81422;MM81422;N#CC(C#N)=CC(=O)NO;VHRAORIKOGQKRD-UHFFFAOYSA-N;137.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81423;MM81423;COC(=O)C=C(C=O)C=O;WQYZUQCMAVMJIX-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81424;MM81424;C=C(C#N)C=C(C#N)C=O;JOYQFWPTJINLMS-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81425;MM81425;C=C(C=O)C=C(C#N)C#N;GQQDDMGSWWOQHK-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81426;MM81426;N#CC(=O)C=C(C=O)C=O;NAXUMSSRTQMIMY-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81427;MM81427;N#CC(=O)C=C(C#N)C=O;XEHBLXAESFZXPL-UHFFFAOYSA-N;134.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81428;MM81428;C#CC(=O)C=C(C#N)C=O;PDVPVPGWNSLOFM-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81429;MM81429;C#CC(C#N)=CC(=O)CO;REJIFXXXWZNEGG-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81430;MM81430;CCC(CNC)NC;WLZRPMGWZLCLGV-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81431;MM81431;CC(C)=CC(N)CCN;HNSAZXGAVHPORD-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81432;MM81432;C#CC(C=C)=CC(=O)NO;QOICWJKMOGDLMQ-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81433;MM81433;C#CC(C#N)=CC(=O)NC;DORRMPLVAUGPAR-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81434;MM81434;C#CC(C=O)=CC(=O)C#N;GZCYKAHFWNEVAB-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81435;MM81435;C#CC(=O)C=C(C#C)C=O;JCORVZYOCAJSHX-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81436;MM81436;C#CC(C#C)=CC(=O)CO;FDIPLSNNGHAKMI-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81437;MM81437;CCCCC(C)(N)CN;HCSAUTLXOWWRJF-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81438;MM81438;CCC(C#N)C(=N)N;HPPHDVREJMXEAK-UHFFFAOYSA-N;111.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81439;MM81439;C=C(C=NNC)C(=O)OC;VDVIFRSIWGTBIU-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81440;MM81440;C#CC(C#C)=CC(=O)NO;QYIVXTNIFGGZGI-UHFFFAOYSA-N;135.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81441;MM81441;CC(N)(CN)CCCF;ROPXUCLXHQXZPB-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81442;MM81442;CCOCC(O)C(C)(C)N;RMGVWRRYKZXASO-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81443;MM81443;C#CC(O)CC(N)CC=C;NBDIGELOUUQKER-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81444;MM81444;C=C(CF)N=C(C)NC=O;OICMOTXSLGVBMA-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81445;MM81445;C=CC(=O)NNCC#CC;ZMFJVSBIAXQNDU-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81446;MM81446;CNCCC(C)(O)C(C)F;UPWQBFAIEFXVIR-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81447;MM81447;CNC(=NC(C)=NO)OC;JJWHWKBUULYRHS-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81448;MM81448;CNCCC(C)(O)CF;XDXCRCYGNLKRRL-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81449;MM81449;CC=NOCC(F)C=O;YSIVFTUVVWQXKG-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81450;MM81450;C=CNC(=NC(N)=O)NC;UZKDBILGRIHJHE-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81451;MM81451;CC(C=C(C=O)C=O)=NO;JACOXHOMVMPQPV-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81452;MM81452;C#CC(=N)NC(C)CN;HBGATBVWIIGZBS-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81453;MM81453;C=CC(=C)C(C)(O)CNC;KWYYGPQXQWEAGN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81454;MM81454;C=C(C)CCN(N)C=N;XGJUQDCOFVHRNY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81455;MM81455;CNCCC#CC(C)N;QSSOOSRRDAYBCW-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81456;MM81456;C=CC=CC(N)CCN;NNBBSWWCKICUHH-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81457;MM81457;CCC(N)C(N)C(C)C;SKLIKGBWQAGQEX-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81458;MM81458;CCC(C)NCCNC;WPJAFCLJIYJMKN-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81459;MM81459;C#CC=CN(O)C(=N)NC;SNYLZNRGYDYYQZ-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81460;MM81460;C#CC(=N)NCC=CF;MERSHTCPGXAIOY-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81461;MM81461;C=CC(=C)C(N)CCN;PDKDCBUMMWBFCQ-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81462;MM81462;COC(CO)COC(C)C;VTHPKJILNLCPMH-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81463;MM81463;C#CC(C#C)(CO)ON=C;VPMSIQLMZGJOOL-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81464;MM81464;CC(C)N(O)C(=N)NN;FVZISSHXEYVZPM-UHFFFAOYSA-N;132.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81465;MM81465;C=NOC(CO)=NNCC;OVEKWBCFIXVMCW-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81466;MM81466;C=C(CCF)N(N)C=N;FACOEEZXKQXZGH-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81467;MM81467;CNCC(N)C(C)=CF;ZJBIPHBCUDLYET-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81468;MM81468;NN=CC(O)C=CF;XZHULNIMYVCHQL-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81469;MM81469;CC(=O)OC(=NN)NO;SMNLFQWAYICNNZ-UHFFFAOYSA-N;133.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81470;MM81470;CNCC(F)=CC(C)(C)N;HUCMOZPHSKCOGU-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81471;MM81471;C=C(C)C(C)C(C)(N)CN;SGIOLLMVJHRPBE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81472;MM81472;COC(C=O)CCC(C)O;RYUCKSUGIMUHKM-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81473;MM81473;CC(CF)CC(C)(N)CN;BWSFCUFBPFEXCW-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81474;MM81474;CC(C)ON=CCO;TXNIJXZETXEEDR-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81475;MM81475;CC(F)CCC(C)(N)CN;UNGJEEYWMUVPCX-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81476;MM81476;CC(C)NCC(C)(N)CF;ZOFHKNZWTPJCCG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81477;MM81477;C=CC(OC)OCC(C)O;RPPHLROCOONAJA-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81478;MM81478;C=C(C)CCC(C)(N)CN;YKDMZZWHDLHWIP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81479;MM81479;C#CC(N)(C#C)CC(C)N;WHHMOLMAHUMTFZ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81480;MM81480;CCN(C=O)CCC(C)O;PEUMTMVQPBUHDM-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81481;MM81481;C=C(C)CC(N)(CC)CN;SZFLHZRSPDJRQH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81482;MM81482;CN(CC#N)C(C=O)CO;BQUPDTSGUKYAAP-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81483;MM81483;N=C(N)C=C(F)C#CCF;HWRCOZFRRXQBQL-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81484;MM81484;C=CC(CC)C(C)(N)CN;WOUWQBLJTKFZCA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81485;MM81485;CC(N)(CN)CCCCF;PVILIQNSYOQRPY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81486;MM81486;C#CCCCC(C)(N)CN;LFSUTQRBOVVOLF-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81487;MM81487;C#CC(C)(C)CNCCN;SPEGHOSDLLHVJJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81488;MM81488;CN(C(N)=O)C(N)=CC#N;RNKOWRQYYIXMMK-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81489;MM81489;CC(C=CF)C(C)(N)CN;WNRPPCVJZWDNOZ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81490;MM81490;C=CC(N)(CCF)CCF;YUERPIWTJZOONA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81491;MM81491;CNCCC(C)(CO)OC;UMKCLDCHEWEBKV-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81492;MM81492;CCNC(C)(C=O)C(=N)N;UASYGYCLEYJTPY-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81493;MM81493;CCNCC(O)C(C)CF;DPSVBLRXFRSHLQ-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81494;MM81494;C=C(C)C=CC(N)CCN;UCSGAZANVLVHBL-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81495;MM81495;C#CC(CO)OCC(C)F;UGRVILAYVVVXHJ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81496;MM81496;C=C(F)C=CC(N)CCN;UGYXLQOXRARZCY-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81497;MM81497;CN=C(N=CNN)N(C)O;MCSQOWYQWVAAIP-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81498;MM81498;CC(CO)NC(N)=CC#N;SHHOFRGIWLEBAB-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81499;MM81499;CCC(O)C(C)NC;FVBGYVPJBWIVKV-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81500;MM81500;CNCC(C)C(F)C=O;DMSKWTQHLCJFKW-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81501;MM81501;CNN=C(CC=O)COC;BBMMENABQHXWSB-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81502;MM81502;C=NN=C(NN=C)OC;UWGGFOYIOGCPJT-UHFFFAOYSA-N;128.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81503;MM81503;CC(O)COC(C#N)C#N;HHQOPTUAKWOUTQ-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02591;MM02591;CC(F)COC(C#N)C#N;JNTMESNYTHIQBD-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81504;MM81504;C#CCC(C)(O)CCNC;FSGALZYMCVTSGZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81505;MM81505;CCOCCC(C)(N)CO;ZRYXIWVXIYUHGO-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81506;MM81506;C=NNC(CC#N)CC#N;SNKDKCBXANNNGA-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81507;MM81507;CNC(C)CN(C)CC#N;ZFEKGNPTFBLLMV-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81508;MM81508;CCC(C)=CC(N)CCN;HFUIQOUCSOANAQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81509;MM81509;CC(=CC(N)CCN)CF;RFWPZBIXJPFJCT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81510;MM81510;C=CC(C)=CC(N)CCN;NIOBDWMESRTJKD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81511;MM81511;CC(=CN(N)C=N)CCF;MQJAEQZVPHIAJY-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81512;MM81512;CC(C)CON(C=O)C=O;BFGAUFBDRBFLCK-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81513;MM81513;CC(O)CON(C=O)C=O;BZYKOCQOGSLFLV-UHFFFAOYSA-N;147.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81514;MM81514;C#CC(CC(C)F)NC=N;OAXHCYWQKVFACM-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81515;MM81515;CON=CNC(C#N)=CN;RATHKTPUQMENHR-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81516;MM81516;CN(C)CC(C=CF)CN;RMNDQNPDOBGRIR-UHFFFAOYSA-N;146.21;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81517;MM81517;C=COCCC(C)(N)CO;QTWXFYSBRXSQOU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81518;MM81518;C=NNC=C(C#N)C(C)=O;YFNRPPKJXVGVMJ-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81519;MM81519;C#CC(C#N)OCC(C)O;DWTIXTPQSNTXBK-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81520;MM81520;C#CC(CO)C(=NC)NC;HIGIJPQCIUVBCA-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81521;MM81521;C=C(F)C(=CC(C)N)CN;PQJUBAXQUHOULO-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81522;MM81522;C=COC=CC(N)CNC;DDMOTKVEKHCNAA-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81523;MM81523;NCCC(N)C=CC=CF;WYPSUDJBWLUCHQ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81524;MM81524;CC(C#CCCN)=CCN;HLJQQVFDNCWHMD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81525;MM81525;CN(CC=O)CC(F)C#N;COCSAPMWLWQCAT-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81526;MM81526;CCC(C)(N)C(CO)CO;NYJHKXKKYWHWDM-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81527;MM81527;C=C(C=CC)C(N)CCN;UPCMXQHHIWRDBO-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81528;MM81528;COC(CF)CCC(C)=O;BCXWNPAGLAHRQR-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81529;MM81529;C=C(C=CF)C(N)CCN;QVFUQESAXCOKAU-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81530;MM81530;C=C(C(C)F)C(N)CNC;MYNAJADPSPJDME-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81531;MM81531;C=C(C)OCC(CO)CO;VIKLMSACVQVDML-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81532;MM81532;C=C(C)C(=C)C(N)CCN;AKQIJUOZKKYNNQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81533;MM81533;CNCC(N)C(C)=C(C)F;ZWLQCAJWMPWIMG-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81534;MM81534;C=C(C)C(C=NN)CNC;MIHSMDLDSDTIMY-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81535;MM81535;C=C(C)C(CNC)N(C)C;GZIJSNGSDJOTKN-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81536;MM81536;C=C(C)OCC(OC)OC;WKDSLAJAGIYKCY-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81537;MM81537;COCC(C(=N)N)=C(C)F;XRJSMUYWXURYPH-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81538;MM81538;C=C(CN)C(C)(CN)CF;ZTUXQTMWUIGUBB-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81539;MM81539;CCC(N)(CN)CC=CF;ZVBITPFZMNEBIE-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81540;MM81540;CNC(CO)CCCF;FKARMZDHYZBQBO-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81541;MM81541;C=NOC(COC)=NNC;MYVGFTKMGROLHE-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81542;MM81542;COC(C#N)CCC(C)=O;HHCOGOCCZJBBHD-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81543;MM81543;C=CN(C=N)C=C(C)C=O;VLZAENMHFVOKGV-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81544;MM81544;COC(C=O)CCC(=O)O;PUXRFQXVGSQCDT-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81545;MM81545;COC(C#N)CCC(=O)O;WDCURLKDFFCFRJ-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81546;MM81546;CCC(C=O)CNC(C)=O;NNTMMDKWRQWKHT-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81547;MM81547;CCC(CO)NCC(C)N;XNBPMXPJARIJHE-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81548;MM81548;CCC(C)C(N)C(N)CC;LTFJKPYIWPALHI-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81549;MM81549;COC=CCCN(N)C=N;ZERFNCWOLXQHJQ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81550;MM81550;CCC(C#N)CNC(N)=O;QHSAQWAPIPKTKP-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81551;MM81551;C=C(C)CCNC(C)CO;MLDKUGZJLPEPNM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81552;MM81552;CCNCC(C)O;UCYJVNBJCIZMTJ-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81553;MM81553;C=CC(CNC(C)=O)OC;AVMWTMCJIYUQDW-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81554;MM81554;C=CC(CNC)C(C)=NN;HLWCCHNGGCNGQU-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81555;MM81555;CC(=O)OCC(C=O)CF;PGUNYHXCLBYKEW-UHFFFAOYSA-N;148.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81556;MM81556;C=CC(C#CCF)C(C)N;MWIBQUQEJJCCDX-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81557;MM81557;COC(C#CC=NN)OC;IQLUHDPFFKZZJU-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81558;MM81558;COC(C=O)COC(C)=O;LBOHWLQOVZBBNV-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81559;MM81559;CN=C(C#CCCN)NC;XKKSPTUXHQAVPQ-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81560;MM81560;CCC(CN)C(N)C=CF;MMLKMTFTFVDLLM-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81561;MM81561;C#CC(=C)C(CO)C(C)N;RENKXXLFUAHKOG-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81562;MM81562;CCCNCCO;BCLSJHWBDUYDTR-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81563;MM81563;CC=C(CF)C(N)CNC;LSLMQVGXIFGFLB-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81564;MM81564;C=CCNN=COC;ZVDZEEPMYILMOH-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81565;MM81565;CN=CC(=CNO)CC#N;ZJSWQIRQDBXEFH-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81566;MM81566;C=C(C)COC(C#N)CO;PCCVPFDXCVHVNT-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81567;MM81567;C=CC(=CC)C(N)CCN;ILQZWCXDMNVRLG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81568;MM81568;C=C(C)COC(C=O)OC;ATIKTWKNPGQOBM-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81569;MM81569;COC(C#N)OCC(C)=O;AOPJUFCXWVKTEF-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81570;MM81570;CC=NOC=NNCC;UYTYNGLTRWFFKN-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81571;MM81571;CCC(C#N)ONC(N)=O;QNTVCFOXASVCBX-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81572;MM81572;CCNC(=O)CC(C)CN;YTDFIUZGBLRBEM-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81573;MM81573;C=CCOC=NNC;HTSSYRMCJVDGMF-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81574;MM81574;N=CNNC=N;SYDHXCIYUKJNJP-UHFFFAOYSA-N;86.1;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81575;MM81575;CC(CN)C(C)C(N)=O;DUPZGBWHIATINJ-UHFFFAOYSA-N;130.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81576;MM81576;C#CC(CO)CCC(=O)O;DWZUPAZTKFCTDQ-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81577;MM81577;C#CC(CF)CCC(=O)O;VXOZKXQPSWHPTK-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81578;MM81578;CC(F)(F)CCN;INUCXBIYHAIRNX-UHFFFAOYSA-N;109.12;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81579;MM81579;C#CC(CNC(C)=O)OC;LTAYBGVRVYDLBB-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81580;MM81580;C#CC(CF)COC(N)=O;NLWAMZWGYAHKSI-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81581;MM81581;CC(C)(N)C=CF;FJRUEOCRYIJNJZ-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81582;MM81582;C#CC(OC)OCC(C)=O;RFDHXLAQFTXGOC-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81583;MM81583;C=NOC(=N)NN=CC;GTMKBQFNJGDDNL-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81584;MM81584;CCCC(CN)CC(N)=O;QVKWQAAMRZUCMX-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15736;MM15736;C=C(C)CCC(C=O)C=O;GEQBUMCZTCDWIS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-(3-oxobutyl)propanedinitrile;MM02834;CC(=O)CCC(C#N)C#N;QVKCWJSACKDYLP-UHFFFAOYSA-N;136.15;1.02;15049541;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81585;MM81585;CCC(C)(N)CN;NMUURUZMXPDLAB-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81586;MM81586;C=CC1C(C)C1N;OYOWGJKOLHWDQJ-UHFFFAOYSA-N;97.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4,4-dicyanobutanoic Acid";MM03095;N#CC(C#N)CCC(=O)O;VGMGUNNYKIUMIC-UHFFFAOYSA-N;138.13;0.51;88470272;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81587;MM81587;C#CC(C)(CC=O)CNC;AIVJEOHJCBTZKN-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81588;MM81588;C=CC(C=O)CNC(C)=O;YAAIRXDTWFSTJA-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81589;MM81589;CC(=O)NCC(C=O)C=O;PMYXFVURXLVEKT-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81590;MM81590;CC(=O)NCC(C#N)C#N;XGJOXZHSKZPAGZ-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81591;MM81591;CC(F)C#CC(=N)N;DQHXZUSWXMZVDR-UHFFFAOYSA-N;114.12;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15981;MM15981;C=C(C)OCC(C=O)C=O;OHPLOGWJHBIPIO-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81592;MM81592;CC(C)=NN=CNC(=N)N;LVYNCCNAJZWQBE-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15412;MM15412;C=CC(C=C)COC(N)=O;DYFDBDWFJDYUTG-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81593;MM81593;C#CC(=N)NC(=C)C;BVBCWEVFDOABET-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81594;MM81594;C=NOC(COCC)=NN;DQWLLQUWCBTGGP-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81595;MM81595;N#CC(C=NOC=O)=CN;KXZQBPWCJSRPRY-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81596;MM81596;N#CC(C#N)NNC(N)=O;HMPYJZLZYYOUQM-UHFFFAOYSA-N;139.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15834;MM15834;C=C(C)COC(C#N)C#N;ONQKSHOMGBAHLH-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81597;MM81597;CC(=O)COC(C#N)C#N;ZIUFXKRGAMMZGY-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81598;MM81598;CC=CC(N)CNC;ZQAZSOYSXYVMGL-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16180;MM16180;C=CC(C#N)OCC(=O)O;JVRDDIDFGQVZFZ-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81599;MM81599;N#CC(C#N)OCC(=O)O;GPWOFSQXLFRDHF-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81600;MM81600;C=NNC(=N)NCC(=C)C;DPWAGSBKDSHVPH-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81601;MM81601;C=NN(C=CC)C(=N)N;PRBSNYSNUUXSBR-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81602;MM81602;CC(=O)NOC(C=O)C=O;QYQQDSUPLIDHSK-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81603;MM81603;C=CCC(C)N(C)C;AWVMCKBHHQPKEW-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81604;MM81604;C=C(C)CCN(C=O)C=O;IVVHDPGQXCPIMI-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81605;MM81605;CC(=O)CON(C=O)C=O;YOSGKLRDVMXXDX-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81606;MM81606;C=CC(=N)N(C)C=N;LVSACUUOGQGCGB-UHFFFAOYSA-N;111.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81607;MM81607;C#CC(C#N)CNC(C)=O;NSZAKCBUMSYXFZ-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81608;MM81608;C=CCCN(N)C=N;AGLAEPXOWXZKPA-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81609;MM81609;C=NNC(C=O)=CN=O;RHTYQOWOENGAIU-UHFFFAOYSA-N;127.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81610;MM81610;C#CC(C=C)OCC(N)=O;DAWXBTWXSDKJCK-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16155;MM16155;C#CC(C#N)OCC(=O)O;QXSJYYKFJNIHKK-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81611;MM81611;C=NOC(=N)NOC=O;FAXCZNKYVFRUCE-UHFFFAOYSA-N;131.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81612;MM81612;C#CC(C#C)CNC(N)=O;SUMIEVXJWXYFRJ-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81613;MM81613;C=CC(CCN)NC;DVDNOFVENZTSDG-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81614;MM81614;CCCCONC(=N)NN;SIMNKLYIGILTBB-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16359;MM16359;C#CC(C#C)OCC(=O)O;CLMRJVMSMHJOCX-UHFFFAOYSA-N;138.12;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81615;MM81615;CNCC(N)C=C(C)C;KZTMGINSAJKPSJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81616;MM81616;CN=CNC(=O)C(C)C;VSOURBJDEPEPMZ-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81617;MM81617;C#CC(C#C)ONC(N)=O;YTYYQNBARGUYLN-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81618;MM81618;C=CC(C)C(C)(N)CN;HSCOJGYVOYGDRP-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81619;MM81619;CC(C)NC(=N)NOC=O;MTPMCNPHEUGMIF-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81620;MM81620;C=CCC(N)(CC)CN;HHVOBOFTWFVSHV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81621;MM81621;NCCC#CCC=NO;BDVWXUNHQALCAP-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81622;MM81622;C=CC(CN)CN(C)C;YRQYJOXSQPUMNO-UHFFFAOYSA-N;128.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81623;MM81623;CC(CN)CC=NO;BLFTVKOYTPJLRU-UHFFFAOYSA-N;116.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81624;MM81624;C=NOCC(=O)CC#N;OPJLYAILAFIGTJ-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81625;MM81625;C#CC(O)C#CCC(C)N;XAQGSXCIANBRGY-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81626;MM81626;CC(=N)NC=NC(C)C#N;MMCLBAIOCFSHSA-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81627;MM81627;C#CC#CC(O)CC(C)N;ZTQOAOSOAJYGDF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81628;MM81628;C#CC(C)(O)CC(C)N;QXHSPSYSZKUINE-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81629;MM81629;C=CC#CC(O)CC(C)N;ZGAWOFVNMMXNSQ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81630;MM81630;CC#CC(O)CC(C)N;IGSKAPMBNAIWPL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81631;MM81631;C#CC(=C)N(O)C(=N)NC;VXISJANACUBOMP-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81632;MM81632;C=C(C)C(O)C(C)(C)N;DIUQFOFTXUMMNK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81633;MM81633;CC(CF)CNCCN;KMNUTJOLENGRLP-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81634;MM81634;C#CCNNC(=O)CCC;YRURKKYOYDORDS-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81635;MM81635;CCNCC=C(C)CN;ORUSFPLSUUUHHO-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81636;MM81636;CCC(C)N(O)C(=N)NN;BFSOIZGVGYVENR-UHFFFAOYSA-N;146.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81637;MM81637;CNC(C)C(O)C(C)C;UMXBCSPDKGHAEV-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81638;MM81638;CNC(=NC(=N)NO)OC;GQNRVLSBGPTDNE-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81639;MM81639;CN(O)C(=N)NCCO;YTDLISAVWCFENQ-UHFFFAOYSA-N;133.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81640;MM81640;CCC(O)(CC)CCNC;SCYWDMVWWYYQKR-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81641;MM81641;CC(C)COC(=NO)NO;NLOXVTGOVTVLHW-UHFFFAOYSA-N;148.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81642;MM81642;C=C(CC)C(N)CNC;ADJRSTYBMMTXMV-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81643;MM81643;C=CCC(C)(CO)NC;QHYOPWVLZVAHNE-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81644;MM81644;CC(CN)C(N)C=CF;JAPARLAMKWIDTH-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81645;MM81645;CC=C(C)C(N)CNC;WNJTVSKRPSCCIW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81646;MM81646;C#CC(CN)C(C)NC;WEWROOWOFQWLCN-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81647;MM81647;CCN=C(NO)NCCF;QHYNIUSDKBKPKK-UHFFFAOYSA-N;149.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81648;MM81648;CCNC(=NCCF)NO;QHYNIUSDKBKPKK-UHFFFAOYSA-N;149.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81649;MM81649;C=C(OC)C(CN)CF;CVBYZKBJNWNZSB-UHFFFAOYSA-N;133.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81650;MM81650;CNC(C)C(C)O;ZRHCPNAOHVNUKM-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81651;MM81651;CCC(C=O)=CN=CN;UVQDFFKUIOGXGO-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81652;MM81652;CC(C)OCC(C=O)=NO;NLEJLMCMZIQDNL-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16514;MM16514;CC(C)OCC(C#N)=NO;VKCUQPGFDOKZDW-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81653;MM81653;CNCCC(C)(O)CCF;VWGZDQKXDFHDOT-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81654;MM81654;CCNN=CC(C#N)C=O;BNNJCVBVCVBIDT-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81655;MM81655;CNCC#CCCNC;PDXZBZQLOUGRNS-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81656;MM81656;C=NOC(=NN)C(C)(C)O;FZYBVKJPDFZVPA-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81657;MM81657;CC(C)ON=C(C#N)NO;PGQYIHMTBYRORQ-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81658;MM81658;CC(O)COC(C#N)=CF;USPMSSAGYXDDAV-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81659;MM81659;CC(CCC#N)C(=N)NO;DKIQEUZWHVAICT-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81660;MM81660;CC(O)COC(C#N)=NO;BVKVSQPQOSOEHV-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81661;MM81661;NCC=CC#CCCN;KKAWJSSKDARECJ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81662;MM81662;CNC(COC)C(C)(C)N;ITDVCVZJBVWXFD-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81663;MM81663;C=CCC(C)(O)CCNC;YHITVGQETKJWPW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81664;MM81664;CCNCC(F)(F)CCN;DCQKGMHBVQOQOK-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81665;MM81665;C=NOC(=NNC)C(C)O;JYXBXIQIHKEEFH-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81666;MM81666;CCC(CO)NC;HSHIHFMFJLIQDN-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81667;MM81667;CNCCC(C)(C)O;ZULPATVQDRLYAC-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81668;MM81668;CCC(CNC=O)C(C)N;PBXIXWOTQIAFFS-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81669;MM81669;CNC(C)C(C)(C)C(N)=O;FFMJBGLVUOUIQO-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81670;MM81670;CC(C)CNCCC(N)=O;RSXPTUKYQSYJDM-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81671;MM81671;CCNC(=N)CC#N;GGOOCZCPDGDQID-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81672;MM81672;C#CCC(C)(N)C=CCN;OQGBVWJMKRZIPC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81673;MM81673;CON=CCC#CCO;QJZYOHVFIPENFJ-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81674;MM81674;CCC(CCC(=O)O)=NN;FUDUIGFBPZYUIW-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81675;MM81675;CCC(CCC(=O)O)=NO;RMSQUGMFXFWNKJ-UHFFFAOYSA-N;145.16;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81676;MM81676;C=C(F)CCC(=NO)NO;SMWUSNQCDRSFPD-UHFFFAOYSA-N;148.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81677;MM81677;CC(F)CC(N)C=CCN;VXUWFLKWENOCDF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81678;MM81678;N#CC(CCCF)C(=N)N;YLVLIPKYEZOOIN-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81679;MM81679;CC=C(CO)CNC(C)=O;HBHSMUXZPRSZPQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81680;MM81680;CCNC(C)C(C)(N)CF;WZCZHDFUHKRYMS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81681;MM81681;CCC(CNC(C)=O)=NO;VDKCAFRIXRGPKR-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81682;MM81682;CNC(=N)NN=CCOC;YECPUHIKGPIXRJ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81683;MM81683;CNCC(C)(CN)C(C)F;IDQOHMZEDGQKDW-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81684;MM81684;CC(C)C=CC(N)CCN;OOJYSRWPQKBLSS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81685;MM81685;CCC(=NN)NC;REERBUJMLFIARK-UHFFFAOYSA-N;101.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81686;MM81686;CCCON(C)C(=N)NN;HFYFOIMDPUJGPO-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81687;MM81687;N#CCC(F)C#CC(=N)N;WGCINTREEGYTFH-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81688;MM81688;CNCC(N)C=CC(C)C;FJLPBXFOOUUSFU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81689;MM81689;CCN(N=C(C)C)C(=N)N;IPDLZQVQBDVVRU-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81690;MM81690;C=NNC(=N)C(=N)N(C)C;YVHCAWZELCKTDL-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81691;MM81691;CC(C)C(CCCN)=NO;MCYMPNJBNJVIBL-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81692;MM81692;C#CC(O)CC(F)C=NN;WIVPWWIQZOULIS-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81693;MM81693;C=CC(O)(CF)CC(C)N;DLABUIQHBULYCN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81694;MM81694;C=CC=NOCC(=O)C#N;MTWYFJUBIUCALB-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81695;MM81695;CC=C(CO)OCC(C)=O;LBKLHODDRWIFEP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81696;MM81696;C=C(C)C=CC(N)CNC;DOZTUNKBWSSJQX-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81697;MM81697;CNC(C)CC#CCO;NHVUDHJFNHMPIT-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81698;MM81698;C#CCC(C)CN(N)C=N;WLFNFCGKOBKKDB-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81699;MM81699;CCC(C)=CC(N)CNC;LLCSODNWOITCQI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81700;MM81700;CC(C)(N)C(O)C=CCF;YNBFWSKLSVGJCE-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81701;MM81701;C=CC(O)C(C)(C)N;IRJYJPRXYJKENZ-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81702;MM81702;CC(N)CC(C)(F)CO;CCOCPLZMOXGOAP-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81703;MM81703;C=C(C)CCC(C=O)=CN;IGSRHKGCVOLFCA-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81704;MM81704;CNCC(N)C=C(C)CF;HZDURTADWXNDLU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81705;MM81705;N#CC(=CN)CCC(=O)O;WIXUYLQLTUUJGQ-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81706;MM81706;CC(=O)CCC(C#N)=NO;SHTNEQMXXIPLDF-UHFFFAOYSA-N;140.14;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81707;MM81707;C=C(C)C=CN(O)C(=N)N;KFOXBXHQUPKHGG-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81708;MM81708;CNCCC(O)C(C)=CF;DNNNTXZFDPHENX-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81709;MM81709;C=CC(C)=CC(N)CNC;MMTRGOZCHGYMCD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81710;MM81710;CC=C(C=O)CNC(C)=O;KMLAZEKHUFRNFT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81711;MM81711;C#CC(C)=CC(N)CNC;KXZVALMDXUMMOR-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81712;MM81712;C=CC(=C)C(O)CCNC;YJYFZQXAQNZUSO-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81713;MM81713;CC=C(C)C(O)CCNC;DLGRCXAAFTZIFH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81714;MM81714;CC(=O)NCC(C#N)=NO;GEEUDEWMDIMBNX-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81715;MM81715;CC(=CN(C)C=N)OC=O;JJRPIFVDVWTIQV-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81716;MM81716;C=CC(CC(C)N)=NNC;VQHSGWPMLNNDAC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81717;MM81717;CCNCCOCC(C)N;TXUYEJGRDSSUPX-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81718;MM81718;CC(=O)CN=C(C#N)NO;IRWONODBSMJOTE-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81719;MM81719;C=C(C)C(O)CCNC;UBBCSGFVMKTOSM-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81720;MM81720;C=CCC=CC(N)CCN;CADXCNGAMVBJCP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81721;MM81721;CN=C(C#N)NNC(C)=O;UVXYFSYSXZFCKE-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81722;MM81722;CC(=O)NN=C(C#N)NO;GYNTXPZNNZPLKH-UHFFFAOYSA-N;142.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81723;MM81723;C=CC(=NNC(N)=O)NO;BCYXNKJFTLADEE-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81724;MM81724;CNCCC(O)C=CF;KFLCHHQCCDOBTO-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81725;MM81725;CC(=O)ON=C(C#N)NO;NHTZOPCJAOVCFR-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81726;MM81726;CNCCC(O)C=COC;STZPOYBKDBFEDS-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81727;MM81727;C=CC=CNC(=N)N(C)O;RCDPCQOYERNSTO-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81728;MM81728;CN=C(C#N)NOC(N)=O;IYJJTIDLIVMZSI-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81729;MM81729;N#CC(=NOC(N)=O)NO;FLLRBKXZSQXAAO-UHFFFAOYSA-N;144.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81730;MM81730;C=C(C)CC(C)(N)CO;AKKGMUYJOZLUCN-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81731;MM81731;CC(=CF)CC(C)(N)CO;UBGYFFPNBLQEQG-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81732;MM81732;CC(=O)NOC(C#N)=NO;PMNDGQZNURAKDL-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81733;MM81733;C#CC(=CC)CCC(=O)O;KQEHHXZTFRXXBA-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81734;MM81734;C#CC(CCC(C)=O)=NO;VUFMTKLMFVQYRE-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81735;MM81735;CCNCCC(C)=NOC;XXWPSPYPJQEVIT-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81736;MM81736;C=C(CCC)C(N)CNC;ZGRWTUFICIRVAF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81737;MM81737;C=CCC(=C)C(N)CNC;AOTOPCBXPIXUPH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81738;MM81738;C=C(C)CC(C)(CO)NC;PTARUBSDEDVICR-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81739;MM81739;C#CCC(=C)C(N)CCN;IWCWNGATCKYLEZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81740;MM81740;CNCC(N)C(C)=CCF;IAHKOYGEPNGDLG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81741;MM81741;CNCCC(O)C=CC#N;NVGWSKZFUMCFCC-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81742;MM81742;N=C(NN)NO;MYYGWTHTRXMJJX-UHFFFAOYSA-N;90.09;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81743;MM81743;C#CCC(=NN)C(C)O;YGLBUEUVOMHBKJ-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81744;MM81744;CNCCC(O)C=C(C)C;WTZAGTNLEPWCOM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81745;MM81745;CC=NNC(C#N)C=O;KWNCXJLNDYKUCT-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81746;MM81746;C=CC(O)CCNC;WRQLXHQSQYNTBX-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81747;MM81747;N#CCCCC(=N)NO;OHZPCXGVGXBYHO-UHFFFAOYSA-N;127.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81748;MM81748;C#CC(=NOC(N)=O)NO;BPOPZCIZHXBAIO-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81749;MM81749;C#CC=C(C)C(N)CNC;GSHPUQQGFAIBRS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81750;MM81750;C#CC(=NO)OCC(C)=O;JKTNSNOJAMFQEH-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81751;MM81751;C#CC(=NN)OCC(=O)O;MXWUQJIDQCFUGR-UHFFFAOYSA-N;142.11;-1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81752;MM81752;C#CC(=NN)ONC(C)=O;YAACAERYOPSGKJ-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81753;MM81753;C#CC(=NO)ONC(C)=O;XGBPHPPGKVKARX-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81754;MM81754;C#CC(CO)C(C)(N)CC;ZUAGVPQLJJYIAO-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81755;MM81755;C#CC(=NN)ONC(N)=O;VXYMDAIKASQZNP-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81756;MM81756;C=CC(CN)C(N)C(=C)C;WLEKNLCGIXLCIL-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81757;MM81757;C=C(CO)CC(=NC)NN;ZUHVRBRTQZPDDT-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81758;MM81758;CCNCC(CO)COC;UURUAODPLWYGON-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81759;MM81759;C#CC(C)C(=NOC)NO;GMGSOGJSMRRVNA-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81760;MM81760;C=C(C(=CC)CN)C(C)N;HRURELVSWCMSRD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81761;MM81761;C=C(C#CCC(C)N)CO;CELMUYPJFZJMQF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81762;MM81762;CNCC(N)C(C)=C(C)C;PUTSBLLYVQPSNP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81763;MM81763;CC(N)C(=CCN)C(C)F;VLAODPMHNRBABR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81764;MM81764;CCC(CN)(CF)CNC;MXZJQLSVZOZDCV-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81765;MM81765;C=C(C#CC(=N)NC)CF;BWDBORRHRDVFAX-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81766;MM81766;CCC(=CC(C)NC)CN;CJZRJYJXAKBTHI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81767;MM81767;COC(C=CC(C)O)OC;JSBWIKWBIQHLEI-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81768;MM81768;CC(N)C=CC(=CF)CN;OIIWNZLCTGJVBG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81769;MM81769;CCNCC(C)OCCN;NINRTTYSKUVCPA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81770;MM81770;C=C(CN)C(=C)CNCC;XGTIVDUOYISATD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81771;MM81771;COC=C(CCO)NC=N;ZWHBOFWKFBSNPH-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81772;MM81772;CCN=CNCC(C)=NN;MMNBWEPRPAXEHA-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81773;MM81773;C=CC(N)CC#CCCN;HQERRTXGMDGIFX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81774;MM81774;CNCC(CF)CC=O;KNYZDFBRAJSEHR-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81775;MM81775;CCNCC(C)C=O;GQWBSQFTULUQGH-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81776;MM81776;CNCCC#CC(C)NC;IGUXZNSZYURYKN-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81777;MM81777;N#CCC=NNCC(N)=O;KRZDDWRIGBYKIT-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81778;MM81778;CC(=CC#CCCN)CN;JHTRESHYFBMPRK-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81779;MM81779;CNC(C)C(C)C=O;RJKDLTRWZSAWOX-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81780;MM81780;C#CC=NNCC=O;HOLAIWQDRDYEBH-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81781;MM81781;C#CC=NN(C)C=NNC;HSGZXYNSFLSYMK-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81782;MM81782;C=NN(C=NC)C(C)=NN;VBYVRPZIQIXNLE-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81783;MM81783;C#CCC(NC)C(N)CC;PHPBMPFESIZBNC-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81784;MM81784;C=C(CN)C(C#CC)CN;WMVRWTSMKSXOPR-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81785;MM81785;CCOCC(CCN)NC;VMGUPZQKLZTDJZ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81786;MM81786;CNC(C=CCF)CCN;HBKZZECDPQTWQR-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81787;MM81787;C=C(CN)C(=CC)C(C)N;GFYWLCBIDXXBQD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81788;MM81788;C#CC(=COCC)C(=N)N;PCLHWXWUVGDNMH-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81789;MM81789;C=CC(CN)C(OC)OC;RSCXEICKMLCXGL-UHFFFAOYSA-N;145.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81790;MM81790;C#CC(CN)C(=CC)CN;ZPYPBZLHKPSYAQ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81791;MM81791;CCN(C=N)NCCC#N;WBMFJHOQFGPIEC-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81792;MM81792;CNCCC(OC)C(C)=O;YKAISFLNROBQJN-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81793;MM81793;C=NNC(CF)=NOC;ORIHZISLJNKPHN-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81794;MM81794;CN=C(NC)NN=C(C)C;KHBCJWSJHCFISA-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81795;MM81795;C=COC(C=O)CCNC;IQKPZFMXRGFLHC-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81796;MM81796;CCNCCC(CF)=NN;OFOVOGNKUBVTOP-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81797;MM81797;N=C(N)C(=NN)NN;ACDNHCCDMBIZET-UHFFFAOYSA-N;116.13;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81798;MM81798;C=CC(C)(CNC)C(C)=O;UOGIOENNHZCABJ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01907;MM01907;CC(C)C=CC(C=O)C=O;DBOUIYRKEMHGGQ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81799;MM81799;CC(O)C=CC(C=O)C=O;KAXKFBCNUXDNBM-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81800;MM81800;CC(O)C=CC(C#N)C#N;AUWBHJINXDTOCD-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81801;MM81801;CN(O)C=NC(C#N)C#N;UXWFVNQGAHVMGL-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81802;MM81802;CCCNCCOCCN;FOVBRQXVOFMZRK-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81803;MM81803;CNCC(CF)CC(C)=O;HIJWNPWTZAEBOH-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81804;MM81804;CCNCCOCCNC;XOTJFJLSGDMNBU-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81805;MM81805;O=CN(C=O)C=CC(F)F;ZVJHRRXRPQLBHG-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81806;MM81806;NCCC(F)F;ITYSTTQEKQMPKF-UHFFFAOYSA-N;95.09;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81807;MM81807;C#CCCNC;OOFSDSHCWBZGQL-UHFFFAOYSA-N;83.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81808;MM81808;C=C(C)CNC(C)C;JCDWOLVZJLRYJP-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81809;MM81809;C#CC(F)=CC(=N)N;AFQTWMUXVNQUPC-UHFFFAOYSA-N;112.11;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81810;MM81810;C=C(C)C(N)CCN;GQBDTUUZTIADFW-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81811;MM81811;CN(C)N=CN(C=O)C=O;WQDLPIOVQXUNLG-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81812;MM81812;C=C(C)C(N)CNC;PVGPUJIHPGKUNO-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81813;MM81813;CNN=C(C)C(C=O)OC;ZLTQYXGWFPNRMC-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81814;MM81814;C=NNC(=O)C=CN(C)C;BEPWFGXVGZBNSY-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81815;MM81815;C#CC(C=O)=CNC=N;OJRHDXSZGPOONQ-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81816;MM81816;C=NNCC(F)(F)CO;IMEFKKJQLPZAFM-UHFFFAOYSA-N;138.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81817;MM81817;C#CC(C#N)N=CN(C)O;JZIJPGKQVXBVOA-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81818;MM81818;CCNN(C=N)CC;KGMFOWWSBMONLT-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81819;MM81819;C#CC(C=C)CNC;OLRSSWCYHAAUMI-UHFFFAOYSA-N;109.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81820;MM81820;C=CCNCCCN;RSHQODNWDOTDCW-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81821;MM81821;CCNCC=CCN;WIBVKDVYWHOWRS-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81822;MM81822;CNCC=CCNC;QXDVFQAKOKIPCM-UHFFFAOYSA-N;114.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81823;MM81823;C#CC=NNCC(O)C=O;YCQBPQXLAOFQRB-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81824;MM81824;CC(N(C)C)C(C)(C)N;FHBDSHVVOHFBPI-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81825;MM81825;CCC(=CNC=N)OC=O;QXOBOCIECZXTCX-UHFFFAOYSA-N;142.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81826;MM81826;C=CC(NC)C(C)(C)N;AFNMYGCZDHNKPF-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81827;MM81827;CC(C#N)=C(N)NC(N)=O;XNNTZJGLVHYARF-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81828;MM81828;C#CC(CF)C(C)N;UKVDYJMCJCCXHU-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81829;MM81829;COC(C=CC(C)=O)OC;RSTWITPJTXXNLJ-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81830;MM81830;NN=CC(O)COC=CF;UVHRQDIRYBKHTM-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4,4-dimethoxybut-2-enoic Acid";MM03709;COC(C=CC(=O)O)OC;NATCFBVPXXCORD-UHFFFAOYSA-N;146.14;0.25;53404071;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81831;MM81831;CC(C)(N)C=COC=O;MVZBJUSQSKPNRQ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81832;MM81832;CNCC(C)NC(C)C;PRLAXXSRKFUCCN-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81833;MM81833;CCN(CC)N=CC(=O)O;BTWBCNAAITZOHR-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81834;MM81834;CNN=C(C)CC(C)N;SSZBPBINXOORLF-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81835;MM81835;CC(C)N(N)C(=N)C=CN;WIPSYPHTMNYEMW-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81836;MM81836;CON=C(C)CC(C)N;SSABAXMTWBSQSI-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81837;MM81837;CCC(O)C=NOC;SSVHBHNJJJMMJL-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16505;MM16505;COC(C=O)C=CC(=O)O;FNWAOQVVFACNRV-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81838;MM81838;CCN(C=O)C=CC(C)=O;YNDHYYNRORDKJH-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81839;MM81839;CNC(C)CC(C)=NN;OMQJMTDURRFJJO-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81840;MM81840;C#CC(C)C(=NN)C(C)O;DIIQURFWCUVCFG-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81841;MM81841;CNC(C)C=C(C)CN;FZRQBBOXLGGVKD-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81842;MM81842;C#CC(C)C(CO)=NN;SHHBMBQEWLGMNV-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81843;MM81843;C#CC(C=CCCN)=NO;DJQQWOFSBAIIRB-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81844;MM81844;C=C(CN)C(=C)C(C)N;GPENAKQQWSJTBH-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81845;MM81845;C#CC(C)(O)CC(C)NC;NCKGNQUDBCESEQ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81846;MM81846;CCNCCC(C)=NN;ANKKQGOWWZLEQT-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16365;MM16365;C=CN(C=O)C=CC(=O)O;MIMQLTSLGBQVTB-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81847;MM81847;O=CN(C=O)C=CC(=O)O;ZYUJHMYHCVCTOC-UHFFFAOYSA-N;143.1;-0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81848;MM81848;C=CC(O)C(F)CC(C)N;GCXWQQFUROTNQH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81849;MM81849;CC(N)CC(C)(O)C(C)F;FRZRHVYAOGKYFS-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81850;MM81850;CC=C(C)C(N)CCN;HQXVATQTPWBQBG-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81851;MM81851;CC(N)CC(C)(O)CF;WEZVRQMFULEONL-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81852;MM81852;CNC(CCF)CCF;RDBBURJBCFHNMY-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81853;MM81853;C#CC(=CC=C)NC=N;WNHGWKWNICRIKJ-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81854;MM81854;C#CC(=COC)C(=N)N;LGJYDXVFWNWEJA-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81855;MM81855;C#CCC(=NOC)NO;QJQMZMKJQDOJIS-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81856;MM81856;CNC(C)C(CF)CF;ASGIIBRFGZVGNA-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81857;MM81857;CC(=O)ON=C(C)NO;DAJDDESLFPPKPA-UHFFFAOYSA-N;132.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81858;MM81858;CC(N)CC(F)C(C)(C)O;MGGYFGGRCSTHAV-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81859;MM81859;CC(N)CC(F)C(C)O;AKCQUADJOLXEQY-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81860;MM81860;C=NN(C=CC#N)CC=O;ZXBKSRABTLEGHI-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81861;MM81861;CNN=CC(O)CC(C)N;DZRYQEFBWDRBAS-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81862;MM81862;C#CC(CN)C(=C)CN;MHVBHMCJHRRGGM-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81863;MM81863;C=CC=CC(C)(N)CCF;PPPBXZZTVMXCEA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81864;MM81864;CNCCC(F)C#CCO;ZPCFWXIYQTWBNZ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81865;MM81865;CCNN=C(C)CC(C)N;CBQPOTMYJAFARH-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81866;MM81866;CC(CC(C)N)=NOC=O;HTRVSSLQERSADW-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81867;MM81867;CC(C)(CN)C(=CF)CN;WUAVPMPZFDNXCV-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81868;MM81868;N#CC=C(N)NCCC=O;NTTDQKKCGSSUDL-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81869;MM81869;C=C(NC=NC)C(F)CO;SHAOBRFIHZZKCQ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81870;MM81870;C#CC(=C)C(O)CC(C)N;OBYGCXWUKQQMJE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81871;MM81871;CN(C=CC=O)C(=N)CO;BYYCIDUUKOFORN-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81872;MM81872;COC(C)(CO)CC(C)N;RJZQMCFNHSRALI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81873;MM81873;C#CCC(C)(O)CNC;BUFYBYBQKDCBQT-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81874;MM81874;CN(C)N=CC(C#N)=NO;UKIUIMVXHOKHBW-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81875;MM81875;C=CC(O)(CC)CC(C)N;YAVURDKQURLGLA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81876;MM81876;C#CCC(C)C(C)(N)CN;DXXJFXXAIGMIJS-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81877;MM81877;C#CCN(O)C(=N)N(C)C;OUEFJDNDAXXAQB-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81878;MM81878;C#CCOC(C=O)ON=C;ZULXLXNEMBBVCX-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81879;MM81879;C=CC(N=CN(C)O)=NO;PKBRQYSPVJAYBR-UHFFFAOYSA-N;143.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81880;MM81880;CN(O)C=NC(C#N)=NO;OLXUEFYTUMAUEH-UHFFFAOYSA-N;142.12;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81881;MM81881;C#CCNN=C(C)ON=C;ZUAMBFDTLOHENE-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81882;MM81882;C#CC(C=CC(C)O)=NO;RUIINWGMWSCJAQ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81883;MM81883;C=NOC(C)(CCN)OC;GBOFPPJDAMWWRC-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81884;MM81884;C=C(CF)C(O)CC(C)N;DIJNZZPNYYAMLK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81885;MM81885;C#CC(C=NN(C)C)=NO;CCRCGBGZLIMFDR-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81886;MM81886;C=CC(N)(C=CF)CNC;ZYIUWKQYBMLJGS-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81887;MM81887;C=NNC(=NOC)OC;YXLRZNALBWKOLO-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81888;MM81888;CC(C)C(N)(CN)CCF;NPZABTJXAYCHAL-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81889;MM81889;C=CCC(O)C(C)NC;WGFPAHNAJMUHEU-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81890;MM81890;CC=CCC(O)C(C)NC;BNBVTTWWYMROIN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81891;MM81891;C#CC(N=CN(C)O)=NO;YUHPGVXWJHYASO-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81892;MM81892;CNC(C)CC(F)=C(C)F;OHXBQKBPKSTPGB-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81893;MM81893;C=C(C)C(O)CC(C)N;GPGXRWZXKZNYRD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81894;MM81894;CC(=O)C=CC(C#N)=NO;IGGLOJMTFBQGGX-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81895;MM81895;O=CC(C=CC(=O)O)=NO;LOJYUWZCLNJGKP-UHFFFAOYSA-N;143.1;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81896;MM81896;C#CC(C=CC(C)=O)=NO;FGPDNRKGSSYOOV-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81897;MM81897;C#CC(C=CC(N)=O)=NO;PIRMLYGXBLAZEF-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16396;MM16396;C#CC(C=CC(=O)O)=NO;COUQSGANDRINFN-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81898;MM81898;C#CCC(N)C=CC(C)N;MVJIRKSJAYMFOZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81899;MM81899;C=NOC=NN;XQHIIZJPZFQNOK-UHFFFAOYSA-N;87.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81900;MM81900;CC(C)C#CC(CO)CO;PDSFVFRDDAYRTJ-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81901;MM81901;CC(C)C#CC(CO)CF;JAUHNKWTJRPJBV-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81902;MM81902;CNC(C)CC(C)=NOC;LAXRPMNADNXDLA-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81903;MM81903;C=CC(C)(O)CC(C)N;OLXOYOLVJHGUOT-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81904;MM81904;CC(N)CC(O)C=CF;PWJHWVDGDWSYQT-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81905;MM81905;COC(C)(C)COC=NN;KLGQWQRLIQRJCF-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81906;MM81906;CN(N)C(=N)N(C)O;QIWYUJYFFZGTFT-UHFFFAOYSA-N;118.14;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81907;MM81907;COC(C#CC(C)O)CF;PXEALKIYWSEJBV-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81908;MM81908;CC(=CC(N)CCF)CN;YUVKLBFMDZNKRJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81909;MM81909;COC(C#CC(C)O)OC;GVTDOUQLGDYNLL-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81910;MM81910;C=CC(C#CC(C)O)CO;CHRMKUPLGFEBID-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81911;MM81911;CNC(C=C(C)C)CCN;XKZAHBXFZDBQKG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81912;MM81912;COCC=NNC(C)C#N;KQHRIEDEPKYOAO-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81913;MM81913;CC(N)(CO)CC=CF;CHUUTPUWQNSFCC-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81914;MM81914;C#CC(C#CC(C)O)CO;HVPQQEOYADNUFP-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81915;MM81915;C#CC(C=C(C)C)CNC;FZKYWOLKKSTWAM-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81916;MM81916;CC(O)C#CC(C#N)C#N;BZFVISWPNIFFMH-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81917;MM81917;C#CC(C#CC(C)O)C=O;DYAKCHSCBJDEJK-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81918;MM81918;CNCC(C)OC=CCN;DRWUSDZTMIHCBX-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81919;MM81919;C=NNC=C(C#N)OC;NUAHJHDJJVHRJV-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81920;MM81920;C=C(F)C#CC(CO)CO;BNGYNGQNLRDTHY-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81921;MM81921;C#CC(C)CC(C)(N)CO;QDDZJVXUKQHDID-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16292;MM16292;COC(C#CC(=O)O)CF;BNLKTICAPSRLGD-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81922;MM81922;COC(C#CC(C)=O)OC;OGOVBILLIPQPEE-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81923;MM81923;CC(C)(N)CO;CBTVGIZVANVGBH-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81924;MM81924;COC(C#CC(N)=O)OC;FDCYAEJDQPINHC-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81925;MM81925;COC(C#CC(=O)O)OC;CKKCCBNTBRTJAA-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81926;MM81926;C=C(C)C#CC(C=O)CO;IQIVEZDDBGHXCQ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81927;MM81927;N#CC=NNC=NCC#N;DEWJCEANRYGFMZ-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81928;MM81928;C=NNC(=O)C(C)=C(C)N;LEYWULGVZWTJDX-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81929;MM81929;CCC(C#CC(N)=O)C=O;CDKSHFZTHNZQQR-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81930;MM81930;C=C(F)C#CC(C=O)CO;VGPBEAGURKQGCT-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81931;MM81931;C=NNC=NOC(=O)CO;JLZDPLZXSZUOEF-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81932;MM81932;C#CC=CC(O)CC(C)N;OBEPHJWSPHLAOB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81933;MM81933;COC(C#N)C#CC(C)=O;ZMVDAOJKADIPLW-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16114;MM16114;COC(C#N)C#CC(=O)O;GUEOTEVFUOSRJF-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81934;MM81934;N=CN(C=O)CC(O)CO;VQBAYJGSUIRNHW-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81935;MM81935;C=CCC(C#CCO)=NN;SGVZBINQCSBKKF-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81936;MM81936;C#CC(C#CC(N)=O)CO;BOGVCYVGUKHPJM-UHFFFAOYSA-N;137.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81937;MM81937;C#CC(C#CC(=O)O)CO;WUIRIGDIFHYFAU-UHFFFAOYSA-N;138.12;-0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81938;MM81938;C=C(CCC)C(N)CCN;ODUYXEOOINSTGO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81939;MM81939;C#CC(C#CC(N)=O)OC;UWVKEJOQIZCDMN-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16237;MM16237;C#CC(C#CC(=O)O)OC;JZHUQMIAWYSYJP-UHFFFAOYSA-N;138.12;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02042;MM02042;CC(=O)C#CC(C#N)C#N;YFBYOTDLNVHYAW-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81940;MM81940;C=C(C)CC(O)CNCC;QHJWERVSBKAVFA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81941;MM81941;NC(=O)C#CC(C=O)C=O;PCGBSDXIIURZGC-UHFFFAOYSA-N;139.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81942;MM81942;N#CC(C#N)C#CC(N)=O;KGZIAIUZSQWIMY-UHFFFAOYSA-N;133.11;-0.86;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81943;MM81943;C=CCC(=C)C(N)CCN;UXUHPIPHWBSCOX-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81944;MM81944;C=CC(C(C)N)C(O)CC;OZASWHIOAZZENN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81945;MM81945;C=CC(O)CC(C)N;IUEILONZLJXAFY-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81946;MM81946;CC(O)C#CC(=CF)CO;GIWPCLHMSNIIFA-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81947;MM81947;C=CC(C(C)N)C(C)O;CUJUKSOYHDUFJK-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81948;MM81948;CC=CC(C(C)N)C(C)O;YGZZVSDGCVMFIC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81949;MM81949;C=C(C#CC(=N)NC)CO;QUTRYVDJKZMASE-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81950;MM81950;OCC(C#CC(F)F)=NO;QCONTARKPIBFLD-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81951;MM81951;CC(C)C#CC(=NO)NO;XTZYXIUJDPBSRS-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81952;MM81952;C=C(CNC)C(=C)CNC;OTVSJGZVNPAART-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81953;MM81953;C=CCC(N)C(C=C)CO;XUCUVEMKSGUKMJ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81954;MM81954;C#CC(C)(C)C(CO)=NN;BMQMTNYRMZVJGG-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81955;MM81955;CC(F)C#CC(=NO)NO;VHMLBUJRSUFBSF-UHFFFAOYSA-N;146.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81956;MM81956;C=CCCCNCCO;QTRQINVKFQLBBW-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81957;MM81957;C=C(C)CCCNCCO;HUFRGQQDDWPENC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81958;MM81958;COC(C#CC(C)O)=NO;OJDIJAAICQQYOU-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81959;MM81959;C#CCC(CO)=NNCC;CRYUEBPVJHWHMV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81960;MM81960;C=CCC(N)CC(C)O;RRCFYIVJDUSDTK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81961;MM81961;CC(O)C#CC(C#N)=NO;PVNDAILXAHOQQV-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81962;MM81962;C=CC=C(C)C(N)CCN;HIYNMGSYDOADBG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81963;MM81963;NC(=O)C#CC(=CF)CF;QOSNLPUKYYZUCI-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16235;MM16235;O=C(O)C#CC(=CF)CO;UROINGGOBIXWRA-UHFFFAOYSA-N;144.1;-0.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81964;MM81964;C#CCC(CO)=NN;YABOKHZQYGDQAF-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16243;MM16243;NN=C(C#CC(=O)O)CF;CBWAEWOXCCVDHK-UHFFFAOYSA-N;144.11;-0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81965;MM81965;C#CCC(N)(CC)CCO;XMCGJQVUWATFAC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81966;MM81966;C=C(C)C#CC(=NO)NO;UGSRZYKUYYBGGQ-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81967;MM81967;CC(=O)C#CC(=NO)NO;MBIACBAXFJTBCP-UHFFFAOYSA-N;142.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81968;MM81968;C#CC(CN)C(N)C(C)C;UKWHNDBGFGCXBX-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81969;MM81969;C=CC(C=C)C(N)CCO;FCOFWCIMDWHZPW-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81970;MM81970;CN=C(C#CC(=O)O)NO;OLXWVQKOMGACAX-UHFFFAOYSA-N;142.11;-0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81971;MM81971;NN=C(C#CC(=O)O)NN;UREXAABPCORPNG-UHFFFAOYSA-N;142.12;-2.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81972;MM81972;NN=C(C#CC(=O)O)NO;APWGDPODEJCCSY-UHFFFAOYSA-N;143.1;-1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81973;MM81973;O=C(O)C#CC(=NO)NO;SCXXCPNQNRFHSW-UHFFFAOYSA-N;144.09;-1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81974;MM81974;C#CC(C=CCO)CNC;JFGYYDSOYORREC-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81975;MM81975;CC(C)=C(C)C(N)CCN;RGTOIQMEYAEQCX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81976;MM81976;CN(N)C(=NC=N)NN;UNRGYDBPGUTOOA-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16140;MM16140;COC(C#CC(=O)O)=NN;BIYVJFWIRJKBJB-UHFFFAOYSA-N;142.11;-1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16193;MM16193;COC(C#CC(=O)O)=NO;NFJGBFSFZZBJFU-UHFFFAOYSA-N;143.1;-0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81977;MM81977;CC(=O)C#CC(C=O)=CN;ZNXGBGTZEKLIKS-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81978;MM81978;CCNN=C(CO)CC=O;AUQVICCJGFPJBI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81979;MM81979;CC#CC(CNC)CNC;NGVIWEWOVFSOMC-UHFFFAOYSA-N;140.23;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81980;MM81980;C=C(C)C(=CCN)C(C)N;WGHARQIGRMSJBE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81981;MM81981;CCC(N)(CN)C(C)CF;YGLOXOVRAYKOHZ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81982;MM81982;CCC(C)(NC)C(N)CF;UHZYWMQQVBJHAP-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81983;MM81983;C=CC(C#CC(N)=O)=CF;KDMDYKUNRVJCOL-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81984;MM81984;CNCCC(F)CCC=O;KBCUDJBMVHGASQ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81985;MM81985;NC(=O)C#CC(C=O)=CF;FWNZYIMISMSYTD-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81986;MM81986;N#CC(C#CC(N)=O)=CF;PULQWYNLNXZTQE-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16204;MM16204;O=CC(C#CC(=O)O)=CF;JMVMUNYEWHTFHL-UHFFFAOYSA-N;142.09;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16562;MM16562;CC(=O)C#CC(C#N)=NO;UMLDIGFTVRZZPA-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81987;MM81987;N#CC(C#CC(N)=O)=NO;AUVONJHWJOXISG-UHFFFAOYSA-N;137.1;-1.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81988;MM81988;N#CC(C#CC(=O)O)=NO;CYZQYVYHRUECHN-UHFFFAOYSA-N;138.08;-0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81989;MM81989;C#CC(C#CC(C)=O)=NO;KAOXRKRQYFGXTC-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16194;MM16194;C#CC(C#CC(=O)O)=NN;BDOBPBNWYSVYKF-UHFFFAOYSA-N;136.11;-0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81990;MM81990;C=CC(CCN)(OC)OC;IKRMTGUMDGBRSV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81991;MM81991;C#CC(C)C=CN(N)C=N;KQRROFLBKHUOGT-UHFFFAOYSA-N;137.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81992;MM81992;CCC(CC(C)NC)=NN;LGVDZWUKXDWQIV-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81993;MM81993;CNC(C)CC(CF)=NN;GYBZJOQKBRWBCR-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81994;MM81994;C=CC(=CC(C)NC)CN;WXAIDTSFMULNRO-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81995;MM81995;CC(C)=COC(CO)CO;GWOQELPJVQGUSY-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81996;MM81996;CCN(C=N)NCC(C)C;LFRUSPVBEXVQJF-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81997;MM81997;CCC(=O)C(C)C(C)NC;YYCGXWGDAFTLPZ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81998;MM81998;CN=CN=CN(O)CC#N;PZYIYBIHXRKVBR-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM81999;MM81999;COC=CN(N)C(=O)CF;DIFIAEZNNRRXJB-UHFFFAOYSA-N;148.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82000;MM82000;CC(F)=COC(C#N)CO;NOECNXNOLMYOJC-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82001;MM82001;C=C(CN)C(=C)C(C)NC;FYACFNTWSOYVNL-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82002;MM82002;C#CC(=N)N(C)CCOC;YCTMYJAYXWDECC-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82003;MM82003;CN=CNC(C)C(C)=NN;LUPAEAAGAXZHKJ-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82004;MM82004;CCOC(OC)C(=N)NC;PXTKEWZNOQZCOW-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82005;MM82005;C#CC(CNC)C(=C)CF;NWLMMYWLVGYTOZ-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82006;MM82006;C#CC(CO)OC=C(F)F;TZAZOXGDCDZZOY-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82007;MM82007;C#CC(C=CC=C)CNC;XBVKZCFKAGGPFC-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82008;MM82008;CC(C)=NNC(C=O)C=O;ZHPFWIXGADVQDE-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82009;MM82009;CC(CO)C(C)OC=NN;RHHFVELWQWWCRJ-UHFFFAOYSA-N;146.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82010;MM82010;C=CNC(C)=NCC=O;SJJUGDFHSIASSM-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02789;MM02789;CC(C)=NOC(C#N)C#N;QCPRFSJNLSBETC-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82011;MM82011;C#CC(C=CC#N)CNC;SJEFDQPRANXCQG-UHFFFAOYSA-N;134.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82012;MM82012;C=CC(N)C(CN)C(C)C;WWSPIZBRDDQEMN-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82013;MM82013;C=C(C)N(NC)C(C)=NC;WPTJDHXALNSFKR-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82014;MM82014;N#CCN(CC=O)CCO;HYYSGXQMRLBNCI-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82015;MM82015;CNCCC(F)C(C)C=O;GBBKJRRJCUJJFO-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82016;MM82016;C=NN(C)CC(=O)C#N;QTXKLBOPPFQAPA-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82017;MM82017;C=COC(C=O)ON=CC;XPMXSVZMFSCLQP-UHFFFAOYSA-N;143.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82018;MM82018;CNC(CC=O)CCCF;DEWHIMDZNFUTNT-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82019;MM82019;C#CC(CCC=O)CNC;ZSPXOBMSEUJOQQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82020;MM82020;N=CN(C=N)C(=N)N;XUEUTGKINLCQEE-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82021;MM82021;CCNC(=N)NN=CCF;CUQPBFOBNQFCLF-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82022;MM82022;CCC(C=O)C(C)NC;QPEHVNXQGQCGTD-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82023;MM82023;CC=CN(N=CC)C(=N)N;YAJNXXCIMCLOGC-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82024;MM82024;C#CC(=O)CN(C=N)CC;LTWVQKFEKIXXSK-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82025;MM82025;CON(C)C(=N)NN;MRGOEYMOHUVETP-UHFFFAOYSA-N;118.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82026;MM82026;C=C(C#CC(C)=O)N=CN;NNSNUZJTXKZXRU-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82027;MM82027;CNC(C)C(C)C(C)=O;YTYWZFCPIMGADS-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82028;MM82028;CC(C#N)=C(C)NC=N;SJRJGTXNBDXVSJ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82029;MM82029;COC(C(=N)NN)=C(N)N;MYMPHQZGHDFVIE-UHFFFAOYSA-N;145.17;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82030;MM82030;COC(=NO)NN=C(C)C;YWOLACMTVKBFMJ-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82031;MM82031;CC(C)(N)C(C)(O)CF;IOXWCGWHQLKBNT-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82032;MM82032;C#CC(CON=C)C(C)N;OEZUHCDQKQCXPJ-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82033;MM82033;C=NNC=NOC(=O)OC;VMJGASCGEBUUSG-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82034;MM82034;CNC(=NO)ON=C(C)C;WTGAIEUYPIQVBT-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82035;MM82035;C#CC(C)(O)C(C)C(C)N;YGLMJSNMLIPMAL-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82036;MM82036;C=NN(C=NN)C=NCC;KOZNQTUTUXDQNG-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82037;MM82037;CCC(C)(N)C(O)CF;VJAWQGWSPRHCHW-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82038;MM82038;C=CC(F)C(O)CC(C)N;HCAIDQFNZMESKD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82039;MM82039;C#CCC(O)C(C)(C)N;IODHAYIRQYIWFO-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82040;MM82040;CC(C)=NOC(=NO)NO;RJCIBLGHSMEGGD-UHFFFAOYSA-N;147.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82041;MM82041;COC(=NO)ON=C(C)C;JMNZBLGXXDJHDO-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82042;MM82042;C=CC(O)C#CCC(C)N;JTFREHCTJIOYGA-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82043;MM82043;CC(F)=CN=C(C#N)NO;WNGBVCJURVRTGR-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82044;MM82044;CC(C)=NN=C(C#N)NO;RIVJJBFAJMHBJB-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82045;MM82045;CC(C)=COC(C=O)=CN;WKLAVNLUHHWEGI-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82046;MM82046;C=CC(CN)C(C=C)NC;LIIKBBPVNOYXTI-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82047;MM82047;CC(C)=NOC(C=O)=NO;VTBDZICOWKGHHC-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82048;MM82048;CCC(COCCN)NC;RYZIFLCTDSJJEG-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82049;MM82049;CN=C(CO)NC=C(C)C;UYDIILICYVSPES-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82050;MM82050;C=CC(C)C(O)C(C)NC;WQQJISVPAQBWNR-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82051;MM82051;C=CC(F)C(C)=NNC;UQFLKWWWGZYRHG-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82052;MM82052;C#CCC(=NNC)ON=C;UJRCFTMMRJDEFF-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82053;MM82053;C#CC(=NO)ON=C(C)C;UXQWFTRWECVPES-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82054;MM82054;CCOCCCNCCN;DUTFBJHWOUYVQY-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82055;MM82055;CC(C)OC=C(CO)CO;RCQRPCQCHGLNTL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82056;MM82056;C=CC(C)(O)CNCC;WKNIZNZGOVUSCP-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82057;MM82057;C=COCC(O)CC(C)N;SLSHOBSGUGDWLN-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82058;MM82058;CNN=CC(C)(C#N)C=O;ZDDGQUMSONGAGV-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82059;MM82059;CCC1CC1N;GAZWKJNMLLGPKV-UHFFFAOYSA-N;85.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82060;MM82060;CNC(=NO)NC(=N)C#N;HANNHQCCAAHDPZ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82061;MM82061;C#CC(O)(C=C)C=NNC;LUIVLPDVFHXJMT-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82062;MM82062;C=C(C)N(N)C(=O)NN;FNGFFVZIJYZEDV-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82063;MM82063;C=C(C)C(C)(C)NC;DHJSXEZSMDFTJO-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82064;MM82064;NNC(N)=O;DUIOPKIIICUYRZ-UHFFFAOYSA-N;75.07;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82065;MM82065;CC(C)CN(N)C=N;HYLHZPSVKIVUQL-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82066;MM82066;C=C(C#CC=NN)NC=O;SIASMFXZDICTLA-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82067;MM82067;C=C(F)CCNCC;FKVMWJTVQQQKSK-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82068;MM82068;CNN=CCC(C)N;ZPWIHVDEGMEOAU-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82069;MM82069;C=C(C)C(C)(O)CCNC;BJOKBRJOCSLSNN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82070;MM82070;COC(CC(C)N)C(C)O;OWXSDVGAQIYLET-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82071;MM82071;CC(C)NN=C(C#N)CO;VKCMNIJJYHIHMA-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82072;MM82072;CC(F)CC(C)(N)C(C)O;YANLLBDUHLYPME-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82073;MM82073;CC(C)ON=C(C=O)CO;MUAPAOIQPNERJZ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82074;MM82074;CC(C)ON=C(C#N)CO;HWZVAUOEAKEKHB-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82075;MM82075;CON=CCC(C)N;GAMXQXFMMYNITC-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82076;MM82076;C=COC(CO)CC(C)N;NUHDFHUJMJITGC-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82077;MM82077;C=CC(C)(O)CCNC;HNNBFDAFMOJALH-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82078;MM82078;C#CC(=CCC(C)O)CO;XOOIXYCVQFZEPP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82079;MM82079;CCOC(CO)CC(C)N;QXGCZLIRRNKINV-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82080;MM82080;CCC(N)(CO)CC(C)F;IFLLSNONSAHGBT-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82081;MM82081;CNN=CC(O)CC#N;LVTVWRAQIDOGCI-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82082;MM82082;CNC(C)CC=NN;GKNPNUDKNVAEEP-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82083;MM82083;CNN=CC(F)CO;ILLPLFDPHXBNQR-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82084;MM82084;CON=C(CO)C(F)=CN;YRGUBJWORZTBFE-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82085;MM82085;CCC(CN)C(F)F;JPVQHGLDRRRWCE-UHFFFAOYSA-N;123.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82086;MM82086;CCC(CF)C(C)(N)CO;BRASFFLFCIZUDL-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82087;MM82087;CCNCCC=NN;UTVGKNVSPRBPQU-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82088;MM82088;C=C(C(C)F)C(C)(C)N;MYLDYFGDMAQQEQ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82089;MM82089;CC(=O)OC=C(CO)CO;WOVQJSRXCCEDAM-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82090;MM82090;C=C(C)OC=C(CO)OC;SFXMJXAFCJPINE-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82091;MM82091;CCCC(N)(CO)CCF;HQSVINONKKZFOO-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82092;MM82092;C#CCCC(C)(N)CO;QHYJHGBTGNTKHX-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82093;MM82093;CCC=CN(N)C(=N)NO;NTEYYHMIYPIBAN-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82094;MM82094;C=C(C=CC)NC(=N)NO;DJRVSNONYURHOT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82095;MM82095;CC#CCC(CO)=NNC;WSSZDWBIJNZLBG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82096;MM82096;CCC(CO)=NNC(N)=O;LIYKWTQTYQKHIF-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82097;MM82097;C#CC(C)(C=NOC)CO;KLKVQRCQXHPNTC-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82098;MM82098;CCC(=NNC(C)=O)OC;RIHURDCVQGXSST-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82099;MM82099;CON=CN(O)CCC#N;KBKMIIFGZIEPTL-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82100;MM82100;C#CCC(=NOCC)NO;GQBKKVRSWJTKNW-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82101;MM82101;CNN=C(C)C(=CF)CO;QCUIMZUFEFKTLX-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82102;MM82102;CCC(=NNC(N)=O)OC;KWZAWWGQHOIDDF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82103;MM82103;CC=NN(C)C(=N)C(N)=O;RLSMLLFUGPWSSG-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82104;MM82104;CC(=NN)C(F)CCO;DOSQNSFZZDTEKT-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82105;MM82105;C=CC(C)C(O)CC(C)N;LUSADYHPZZZZBE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82106;MM82106;C#CC(=NNC)NN=CC;LGRYDZSGMBGPGC-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82107;MM82107;CC(N)CC(C)(O)CCF;MDPHJDRCZONOKY-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82108;MM82108;CNC(=NNC(C)=O)OC;DGLFSPYZMQPOKS-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82109;MM82109;CON(C=NN)C(=N)CF;UWUUQXCQUSPEDE-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82110;MM82110;CC=CN=CNC=O;HNEDLRDWEOYVKE-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82111;MM82111;CNC(=NNC(N)=O)OC;AHNVBFJZXQWJQB-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82112;MM82112;CCCCC(=N)NO;RRNLVICCUZTJOW-UHFFFAOYSA-N;116.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82113;MM82113;N=C(CCCCF)NO;JFHGGRCVHJFJBA-UHFFFAOYSA-N;134.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82114;MM82114;COC(=NNC(N)=O)OC;HDMLTDBVXMKBME-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82115;MM82115;CC(F)=C(C)C(C)(C)N;QUVGJLPZBXMSIJ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82116;MM82116;N#CCCCCC(=N)NO;GWJIOHYIZZNSMJ-UHFFFAOYSA-N;141.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82117;MM82117;C=CCNCC(C)(C)N;HHGDZAMHLHFROB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82118;MM82118;COC(C)(CCN)OC;XOCHQQQPVSQATN-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82119;MM82119;C=CCC(C)(O)CC(C)N;BSYUPSCZVVJXQH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82120;MM82120;C#CC(F)(C#C)CCN;JGSDIOXKFLRFNT-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82121;MM82121;C=CC(C)(CO)C(C)NC;OMKVLAJQQRWYCL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82122;MM82122;C=C(F)CC(O)CC(C)N;CMBGZYDHVSJIKS-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82123;MM82123;CNC(C)CNC(C)C;DWRCCIXFGALMLN-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82124;MM82124;C#CC#CCNC(=O)NN;WERMLKJLRKMURT-UHFFFAOYSA-N;137.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82125;MM82125;CCC(C=O)=CNC(C)=O;OMOHJZMNLQDSTR-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82126;MM82126;C=CC(=CNC(C)=O)CO;CESLUJLTGOECLU-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82127;MM82127;CC(=O)NC=C(C#N)CF;LQRTTXIKQHMFFA-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82128;MM82128;CC(F)CCN(N)C=N;AYDFTQREXZVQFQ-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82129;MM82129;CNC(CO)C(C)(C)C;QPEVEJCNPXGGBV-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82130;MM82130;COC(C#N)=CNC(C)=O;UTQQLZMNEPFSDH-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82131;MM82131;CC#CCNNC(C)=O;LUYUZKOUPLBGEZ-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82132;MM82132;C=C(C)OC=C(C=O)CO;ICBZEZMOSABEEJ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82133;MM82133;CC(=O)OC=C(C#N)CO;JEQQDOIXVGBDBS-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82134;MM82134;COC(C=O)=COC(C)=O;VPKRNHGLSXTTCY-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82135;MM82135;CC(N)CC(O)CC(C)F;NUSSBLAPLCGIFC-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82136;MM82136;CNN=CN(C)C(=O)NN;YTZVHUNLMKIFNZ-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82137;MM82137;CC(=O)NN=C(C#N)CO;FWIVIEKULHGUPB-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82138;MM82138;C=CNC=NCC(=C)CO;VIKQCGITPNHLLZ-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82139;MM82139;CC(N)CC(O)CCF;RKWMRLHPXMMPTK-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82140;MM82140;CC#CCNC(=O)NN;AIBXPIQEHLWGKO-UHFFFAOYSA-N;127.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82141;MM82141;C=C(CC)N(N)C(=O)NN;PGQSRYGUJXRMAS-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82142;MM82142;CCC(C#N)=NNC(N)=O;UVCWUZNXGJGXSS-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82143;MM82143;CC=C(C)N(N)C(=O)NN;UPPCHYPUQUNHNO-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82144;MM82144;CC#CC(C)NC(=O)NN;NYQYGQGBLSVVST-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82145;MM82145;COC(C=O)=NNC(C)=O;CVKCRYKKLISELH-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82146;MM82146;COC(C#N)=NNC(C)=O;VBCNEVHWGDWRBL-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82147;MM82147;C#CCC(C(C)N)C(C)O;GIZYVVPXHULBGJ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82148;MM82148;CCC(O)CC(C)N;YHIZZSLGMMCSNN-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82149;MM82149;CC(O)C(C)C(N)CCF;XPODSYWMFAKVBK-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82150;MM82150;C=CC(=NNC(N)=O)OC;ISKWJMDILQYFDR-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82151;MM82151;CC(N)CC(C)(C)O;LYLPRVUTJGLNPP-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82152;MM82152;CC(=O)ON=C(C#N)CO;XBHUAYFBBIYCLM-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82153;MM82153;CC(=O)ON=C(C#N)CF;KVOTZHHUCDDGHY-UHFFFAOYSA-N;144.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82154;MM82154;C=CC(=CC(C)N)CN;FTZGLHXMIJYLNW-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82155;MM82155;C#CC(C)(C)NC(=O)NN;BCAZNIDIHBLCOO-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82156;MM82156;N#CC(CO)=NOC(N)=O;TTZUKBLMZSWGOU-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82157;MM82157;N#CC(CF)=NOC(N)=O;LSJJPQDWOFZIPZ-UHFFFAOYSA-N;145.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82158;MM82158;COC(C#N)=NOC(C)=O;OJNGYNJZFCKGCW-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82159;MM82159;CCNN=CCC(C)N;KTFNGJLCJUEWID-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82160;MM82160;CNN=CCC(C)NC;PGFBMXOVOZUJPQ-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82161;MM82161;COC(C#N)=NOC(N)=O;RUTDUKRUXOQHOG-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82162;MM82162;C#CC(=CCC(C)=O)CO;ALVCZRADJIIDLC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82163;MM82163;C#CC(=CNC(N)=O)CC;NDGJLNRNWNNMPY-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82164;MM82164;CCC(=CCN)CNC;FODYCCWYSITWKK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82165;MM82165;C=CC(CNC)C(=C)F;WVTMTHXUBCRJTG-UHFFFAOYSA-N;129.18;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82166;MM82166;C#CC(=COC(C)=O)CO;DIAXMIFIQGHCLH-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82167;MM82167;C=CC(CO)C(C)N;JBUDRQBGWYFUST-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82168;MM82168;C#CC(=NNC(C)=O)OC;MJPXXFZDPDNFDL-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82169;MM82169;C#CC(CF)=NOC(N)=O;QTSPTBGEMBYGQO-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82170;MM82170;C#CC(CNC)C(=C)C;BPOAJIKRJBHQMZ-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82171;MM82171;C=CC(=CCN)C(C)N;COMOYKJTAASIJJ-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82172;MM82172;CC(N)C(C=CCF)CO;XFEQXZJWRPMAAT-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82173;MM82173;C=CC(C=O)=CCC(N)=O;HKALIMBOOSQRLX-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82174;MM82174;C=CC(C#N)=CCC(N)=O;VHRRHLNGPTWYLH-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82175;MM82175;CC(O)CC(N)C(C)CF;ODILVCJVLGRUFU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82176;MM82176;C=CC(C=O)=CNC(C)=O;UAKPNAMXFPNZDL-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82177;MM82177;CC(=O)NC=C(C#N)C#N;YWLZNSMAJDGGTH-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82178;MM82178;NC(=O)NC=C(C=O)C=O;AYHCQKHWIQISMD-UHFFFAOYSA-N;142.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82179;MM82179;N#CC(C#N)=CNC(N)=O;CIHFOAZWXPCKSQ-UHFFFAOYSA-N;136.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82180;MM82180;CC(N)CC(C)O;RTFVYTOTESLFBG-UHFFFAOYSA-N;103.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82181;MM82181;CC(=O)NN=C(C=O)C=O;DWUPFVMBLVPXEK-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82182;MM82182;CC(=O)NN=C(C#N)C=O;ZFYLGCKFSAITPN-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82183;MM82183;CC(=O)NN=C(C#N)C#N;XPXKASUSZSXKSC-UHFFFAOYSA-N;136.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82184;MM82184;CNC(=N)NN=CCCO;NQJIXYVZPNJEDT-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82185;MM82185;C#CCC(C)NC(=O)NN;ZUJCYGWYLOTXMF-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82186;MM82186;CNC(CCO)C(C)CF;JSQPAZGJHLZBAM-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82187;MM82187;CNCC(CC=O)C(C)F;BAAZOABEKZQAGY-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82188;MM82188;N#CC(C=O)=NNC(N)=O;SBRQBTHMVKAELD-UHFFFAOYSA-N;140.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82189;MM82189;N#CC(C#N)=NNC(N)=O;QIGMUJGSHZKZFD-UHFFFAOYSA-N;137.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82190;MM82190;CC(=O)ON=C(C=O)C=O;NUDQEHCTBHTRDA-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82191;MM82191;CC(=O)ON=C(C#N)C#N;HPYPNOYVPJUISO-UHFFFAOYSA-N;137.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82192;MM82192;C=CC(C)(N)CC(F)CC;RHEHCZKIQKJMGG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82193;MM82193;CCC(N)(CN)CC(C)C;HNUCJUQQAXPQAW-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82194;MM82194;CC(=O)ON=CCC(C)N;RTZWJKLRKIRKIR-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82195;MM82195;C#CC=CC(=N)NN(C)C;FECJOCJTNXOSBV-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82196;MM82196;C=CC(C#N)=NOC(N)=O;SYDZVOKFQMRDNP-UHFFFAOYSA-N;139.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82197;MM82197;NC(=O)ON=C(C=O)C=O;QBAAQJBDSUCSTM-UHFFFAOYSA-N;144.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82198;MM82198;N#CC(C=O)=NOC(N)=O;QMEPALSFRAESSB-UHFFFAOYSA-N;141.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82199;MM82199;N#CC(C#N)=NOC(N)=O;ZYCONHVSCCHVRY-UHFFFAOYSA-N;138.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82200;MM82200;C=CCC(C)C(C)(N)CN;UPGBOKZXOBNYBZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82201;MM82201;C#CC(C#N)=CCC(N)=O;PREITPFRLGBQTI-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16442;MM16442;C#CC(C=O)=CCC(=O)O;XQNVGKFDSOABCE-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82202;MM82202;CNC(=O)NN;LHYKTQVFLKHQSR-UHFFFAOYSA-N;89.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82203;MM82203;C#CC(C#N)=CNC(C)=O;GKUQJMJFGWBJTM-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82204;MM82204;C#CC(C#N)=CNC(N)=O;ABQWYYKLBLZNCX-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82205;MM82205;CNCC(CF)C(C)C=O;NXRQUFADDXROIY-UHFFFAOYSA-N;147.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82206;MM82206;C#CC(=N)NC=CCC=O;SQYQVKZOMLMZEX-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82207;MM82207;C#CC(C=O)=NNC(C)=O;YQDDJSZGXDUFGR-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82208;MM82208;C#CC(C#N)=NNC(C)=O;CYSCMWUNPZPLPD-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82209;MM82209;C=CCNC(=O)NN;IJAXBJTWIMFYLY-UHFFFAOYSA-N;115.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82210;MM82210;CCNC(=O)NN;CJYIAZYTBJVFOT-UHFFFAOYSA-N;103.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82211;MM82211;C#CC(C=O)=NNC(N)=O;RPUQVYAIYIEJMX-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82212;MM82212;C#CC(C#N)=NNC(N)=O;GMCRZQBBLUQUBY-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82213;MM82213;CCCC(N)(CN)CCC;ARNUEVREKCIXML-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82214;MM82214;C#CC(C#N)=NOC(C)=O;KXWSJPNNTGZHGS-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82215;MM82215;CCOC(C)(CCN)OC;LCMXLKHNGLOUBS-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82216;MM82216;C=COC(C)(CCN)OC;HOQBGVSPJNFIGV-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82217;MM82217;COC(C=O)C(C)N=CN;OVBLSICWVUMLRJ-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82218;MM82218;C#CC(C=O)=NOC(N)=O;KQIPJNJKAKCCAV-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82219;MM82219;C#CC(C#C)=CNC(N)=O;NZRVHLVDHJFTLQ-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82220;MM82220;C=CC(C)(C)NC(=O)NN;OJUHOSMCZXGDEZ-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82221;MM82221;C#CC(C#C)=NNC(N)=O;WTVRVDNPASVNDI-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82222;MM82222;C=CC(N)(C=CC)CNC;AVVXSISRUBGMTL-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82223;MM82223;C#CC(C#C)=NOC(N)=O;JBMXIEKYNPEBQB-UHFFFAOYSA-N;136.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82224;MM82224;C#CCC(C)NCC(C)N;CYDDWLLQQAKBIK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82225;MM82225;C=CCC(=C)CNC(C)C;QAMVCZLSCIJFMY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82226;MM82226;C#CC(=O)C(C)N(C)C=N;UANJJYRSESAAEV-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82227;MM82227;COCC(C#N)=CNC=N;HKTPBSGPDMMJMP-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82228;MM82228;C#CC(CC(C)N)NN=C;VFKXTGILOLQEJX-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82229;MM82229;CC=CC(C)NC(=O)NN;FKSWWWGUDFYLPQ-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82230;MM82230;COC(=NN=C(C)C)OC;WIMOMLUSCXEAQE-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82231;MM82231;CC(C)=NN=C(C#N)CO;JRVJJGGEOCVYOD-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82232;MM82232;C#CC(N)C#CCC(C)N;VTJVJMWYIASTKH-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82233;MM82233;C#CC(=COC)NC(C)=N;IIFUZFLJDGCEKP-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82234;MM82234;C=CC(CC)NC(=O)NN;PDVFWQKABXLFNI-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82235;MM82235;CC(C)C(CN)CC=NO;BLZTYSBTZJLKNJ-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82236;MM82236;CC=CC(=CC(C)N)CN;AKSAPNGAIQTSHH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82237;MM82237;CC(N)C=C(C=CF)CN;VBRNTVJRWGTRFL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82238;MM82238;C=C(C)C(=CC(C)N)CN;RWMUWFURDPROIQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82239;MM82239;C#CCON=CCC(C)N;MYVLLKGYAQXTCS-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82240;MM82240;CC(N)CC=NN=CCN;QFCBQXJEKXUPOA-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82241;MM82241;NCC#CCC(N)CCF;ZVXDJVCTLMGHCH-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82242;MM82242;C=C(C)N(C)C(CN)=NC;DVURLIQMKPLZLM-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82243;MM82243;NCCCCC=NO;XKTYUWGXRDCIPL-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82244;MM82244;C=NOC(CCN)OCC;ACQSTEQAGNJYKM-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82245;MM82245;C=COC(CCN)ON=C;XCVGFZCNTBQTDG-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82246;MM82246;C=CC(C)CNC(=O)NN;UJZDQNYMQPNLIS-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82247;MM82247;CC(N)C(C=CF)=CCN;GKCPVFJTEAAMGX-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82248;MM82248;CC#CC(C(C)N)C(C)N;VTPLOXXVSIZAPK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82249;MM82249;CCC(CCCN)=NO;QKXQPJGLKJZARH-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82250;MM82250;CCC(N)C(C)(CC)CN;VWCHUKXDFYKSQU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82251;MM82251;C=CNC(=NC)NC=NO;XFFKRARTNZGCLQ-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82252;MM82252;C=CC(C)C(=N)NCC#N;LAWOGEARJGMXAO-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82253;MM82253;CCC=CC(N)C(C)CN;FZPPIMNLLJOORM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82254;MM82254;C=CC=CC(N)C(C)CN;APCXCEKPYUDKHB-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82255;MM82255;CCN(CC#N)N(C)C=N;CECPXHLSVXPKTJ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82256;MM82256;C=CC(=C)C(CCN)NC;CVPBYCCNJVLKFH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82257;MM82257;C=CCN(NC)C(=N)C=C;LBVGQGUAVHQFCJ-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82258;MM82258;C=CC(=CCN)C(C)NC;MOIYVWIGAXCTGF-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82259;MM82259;CC=NOC(CCN)OC;DRVMOUGWLJURSB-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82260;MM82260;C=CC(=CCN)NC=NC;DHCHLDWOPHABLC-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82261;MM82261;C=CC(=C(C)CN)C(C)N;BZGHGUVHPFFOJS-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82262;MM82262;CCOCCC(CN)NC;FWQSIKUEUZXCQP-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82263;MM82263;CC(C#N)C(=N)N;PNGBLVCAFDZQBL-UHFFFAOYSA-N;97.12;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82264;MM82264;C=CCNCC(C=C)CN;ZQIRZLVHIBWKIK-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82265;MM82265;C=CC(=CF)C(N)CNC;CVRMGZGQFDNVTM-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82266;MM82266;C#CC(CN)C(C)=CCN;BAEQVVPIQZDZDJ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82267;MM82267;CC(C)(C)NC(=O)NN;RQRLGHDOAMWLLQ-UHFFFAOYSA-N;131.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82268;MM82268;CCC(O)C(O)C(C)C#N;DCMQALGAUQUJHT-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82269;MM82269;CCC(CN)=C(C)CNC;IWFTXYLOJYPMBI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82270;MM82270;C=C(C)C(C)(O)CNCC;BSKDLLWYSZWMFI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82271;MM82271;NC1CC1;HTJDQJBWANPRPF-UHFFFAOYSA-N;57.1;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82272;MM82272;CCCCNC(=O)NN;OQGXXDLQVFZTAD-UHFFFAOYSA-N;131.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82273;MM82273;CC1CC1N;PYTANBUURZFYHD-UHFFFAOYSA-N;71.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82274;MM82274;CC(O)C(=N)NC=CC=O;PKZPLALGLBULIM-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82275;MM82275;CC(CN)C(F)F;VIJYKDCSCUREMN-UHFFFAOYSA-N;109.12;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82276;MM82276;NCC(CF)CF;HMANHHAKFPUZFI-UHFFFAOYSA-N;109.12;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82277;MM82277;C=CC(C)(N)CCF;PFDSEBPIWJYTRL-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82278;MM82278;C=C(F)CC(C)NC;MYGLZPJMEQBPGV-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82279;MM82279;CN=C(C)NC(C)=N;JDRHHVWEZCRYKY-UHFFFAOYSA-N;113.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82280;MM82280;CCC(C)(C)NC(=O)NN;ZENYJWBGLBXUOF-UHFFFAOYSA-N;145.21;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82281;MM82281;CC(C)CCNC(=O)NN;RFVNGMJFQBJKGN-UHFFFAOYSA-N;145.21;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82282;MM82282;C=C(C)C(=N)NC=N;IQZAPSOYMDOMEM-UHFFFAOYSA-N;111.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82283;MM82283;CCCCCNC(=O)NN;MYFMFYJXDUTRFB-UHFFFAOYSA-N;145.21;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82284;MM82284;C#CC(C)C(C)C(O)CO;RKGUWUZXQATAJZ-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82285;MM82285;C=CC(C)(CC)NC;ONKNNGWEKXPOLN-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82286;MM82286;C=CC(C)C(O)C(C)(C)N;YNAONLOLDRTNSA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82287;MM82287;CNC(C)C(C)NC;ISUMFQHWPMTXHE-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82288;MM82288;C=CC(C)=CN(O)C(=N)N;OOQASADKLLAJEV-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82289;MM82289;C=CC(O)C(CC)NC;QLRJYBJLRHQSQH-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82290;MM82290;C=CC(N)C(C)CN;BQZBRVOTORMOGB-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82291;MM82291;CC(F)C(CN)CF;LAKFSJDTOMDGCI-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82292;MM82292;CNCC(C)(O)CC(C)F;GRPDBMOEEGCTOT-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82293;MM82293;C=C(F)C(CN)CN;MRZOACWDGWTJKE-UHFFFAOYSA-N;118.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82294;MM82294;C=NOC(C)(C#N)CO;WKQWZNUBEVNAAJ-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82295;MM82295;CC(C#N)C(C)C(O)C#N;WAMJVNLSBKQNIE-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82296;MM82296;CCN(C=N)C(C)=N;MKLCAOOMKNAUQU-UHFFFAOYSA-N;113.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82297;MM82297;CC(C#N)C(O)C(C)C#N;NFSAGDCHGILSLJ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82298;MM82298;C=CC(C)C(O)C(O)C=O;CSYSZHULIAHTLT-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82299;MM82299;C=CC(O)C(O)C(C)C#N;ADPOVRDXIJZNII-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82300;MM82300;CCCC(N)(CC)CN;HWNQPFFOPXRWGZ-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82301;MM82301;CNCC(C)(O)CCF;AEEHCBAANISSNX-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82302;MM82302;C=CC(N)CC(=C)CN;IOBGPVQAZDSARL-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82303;MM82303;C=NNC(C#N)(C=O)CO;ABIXTTBSKJJDAH-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82304;MM82304;C#CC(O)C(O)C(C)C=C;PJHHTUVPEUUAKY-UHFFFAOYSA-N;140.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82305;MM82305;C#CC(O)C(O)C(C)C#N;VSZHALGGJZIMEZ-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82306;MM82306;NN=CC#CCO;POCBPXBHMAGFMX-UHFFFAOYSA-N;98.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82307;MM82307;CC(O)C(C)(N)CCF;KJIWXLAYMMJFBA-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82308;MM82308;C=C(C=CC(C)N)CN;UAVGBKSUGMNAQK-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82309;MM82309;CCC(O)C(C)OC=NN;OTDABLRCIGQXAT-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82310;MM82310;CNCCNCC(C)C;BITFXPQRJCWTRS-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82311;MM82311;C=CCC(N)C=CCN;RRXVUNUGTYRINE-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82312;MM82312;CC(C)=NOCC#CCO;SYLIIKFERUXEFR-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82313;MM82313;CC(=O)C(=N)N(C)O;UCFSLZSXVGSXTF-UHFFFAOYSA-N;116.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82314;MM82314;C#CC(C)C(O)C(O)C#C;QXEYZJLLSSGEST-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82315;MM82315;CCC(N)(CO)CCF;WQVJUZJHRBSRTB-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82316;MM82316;C=CC(C)ON=CCO;YLHAFILPJLVUIY-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82317;MM82317;C#CCN(CC)C(=N)NO;QJIDSXLPFNWJDU-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82318;MM82318;C#CC(O)C(O)C(O)C#C;AUWJMBYQLOZYSY-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82319;MM82319;C=C(C=CCN)C(C)N;NEONRIBCEUOTAR-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82320;MM82320;COCCCN(N)C=N;VHGGSGBBRBTTJA-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82321;MM82321;C#CCNC=NN=CCO;NVHUCXUHONUWQA-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82322;MM82322;C=CC(=C)C(N)CNC;JOFWJKHTVZCVAK-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82323;MM82323;CC=CC(N)C(C)CN;MLPROTSJVYTLCN-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82324;MM82324;C=COC(CCN)OC;XOSJPTKFDCFVEL-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82325;MM82325;C=CC(CCN)NCC;LWVYFSKIZGVUAZ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82326;MM82326;CC(C)=NNCC(=O)C#N;MFMILGDOFDOUAF-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82327;MM82327;C#CC(=CC#N)C(=N)N;SHJOGBCLJLBFDJ-UHFFFAOYSA-N;119.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82328;MM82328;CCCC(=N)NO;OPENCMFJZQABIY-UHFFFAOYSA-N;102.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82329;MM82329;N#CCNN=CCNC=O;HIUSIMSRASVQSR-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82330;MM82330;COC(C)(C)C#CC(=N)N;XBGOUGYGHFFMOS-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82331;MM82331;C=C(COC=O)C(C)(C)N;PAEQKQQIPNCUMN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82332;MM82332;CNCC(C)(C)C(C)O;GSQDUKRXZCYUIS-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82333;MM82333;CNCCC#CC(C)(C)N;GBVVZIQBXNJLNA-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82334;MM82334;CC(C)(CCF)NCCN;CYGQLIRPYZFJRZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82335;MM82335;CCC(=O)N(C)C(C)CO;YFGDSDYIKYTFAN-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82336;MM82336;C=C(C)CC(N)C=CCN;CVHNRZYXCNECBQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82337;MM82337;CC(=CC#N)NCCO;PSMKNQQKGNXWKE-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82338;MM82338;C=CC#CC(CCO)=NN;FGCJJHOWRISTHG-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82339;MM82339;C=NNC(N)=C(C#N)OC;DPERNWOQSMNLMX-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82340;MM82340;C=C(C=C(C)CN)C(C)N;SHWWVRJMVUQSGF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82341;MM82341;C=C(CN)CC(N)C=CC;VBJZIXGUEMQMIU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82342;MM82342;C=CC(N)CC(C)=CCN;ZEIUIDGAVCVTFV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82343;MM82343;C=CCC(N)C=C(C)CN;WJVNEMNLIXYZMA-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82344;MM82344;CNCC(C)(C)O;KYCZVVFGMGLNPL-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82345;MM82345;C=CCCNCC(C)O;TXJVNPOPEXJYJF-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82346;MM82346;CC(CF)N(C)C(=O)C=O;UHJIJXOSWUHRIB-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82347;MM82347;CC(CF)N(C)C(=O)C#N;FJCJMTDGIWZSHF-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82348;MM82348;C#CC(=O)C(F)CNN=C;XXDMZNSWUMMHMF-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82349;MM82349;C#CC(=O)C(C)C(O)CF;DNQVMJNPRMNJRD-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82350;MM82350;C#CC(=C)C(O)C(O)CC;FCODMWYHYGQFTF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82351;MM82351;CCC(N)C(CO)CF;ZONRVBIMNVKNHQ-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82352;MM82352;C=CC(CO)CNC;HOFWXXUFQDYSMC-UHFFFAOYSA-N;115.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82353;MM82353;CC(C)NC(CN)CCF;FUXFFTQYKZTYCM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82354;MM82354;C#CC(=O)N(C)C(C)CO;HREXYBZLVSOVMR-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82355;MM82355;C#CCC(CO)C(C)N;KOLGAWMEWONEDE-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82356;MM82356;C=C(C)CNCCCCF;QSHMTBGQAFMTNX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82357;MM82357;COCCNC(C)CCN;GPVNNZWFMTYJGL-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82358;MM82358;CC#CC(=N)NCCC#N;FYCWTFFAWFWLNZ-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82359;MM82359;CNCC(C=C(C)C)CO;AXYRRDRRTYQKIR-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82360;MM82360;CNCC(C=COC)CO;RXZNGRZHXFWREZ-UHFFFAOYSA-N;145.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82361;MM82361;CC(C)(C)NCCO;IUXYVKZUDNLISR-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82362;MM82362;CC(N)CCO;AGMZSYQMSHMXLT-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82363;MM82363;COCOC=C(C)NC=N;MPESCCKOGAIYCN-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82364;MM82364;C#CC(CCO)C(C)(C)N;YUCVHTMBXOMEJG-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82365;MM82365;COCC(CC=O)N=CN;DFMDAECBIPROMY-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82366;MM82366;C=CC(C)N(C)C(=O)CO;AIFXFNRCDNHGLG-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82367;MM82367;CC(C#N)N(C)C(=O)CF;YWLPCBQDWYFOFQ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82368;MM82368;CNC(=O)N(C)C(C)C#N;HXZBKOGDGOETFH-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82369;MM82369;CC(C#N)N(C)C(=O)NO;FLBUWUOUXLEOEV-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82370;MM82370;CC=CN(OC)C(=N)NN;UXIBTZZQPIKZOX-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82371;MM82371;CNC(=NC=NC=N)NN;XUVJHXKDIIAAGN-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82372;MM82372;C=C(C=CC)C(N)CNC;PXJTWZDUQKJZNR-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82373;MM82373;COC(=O)N(C)C(C)C#N;WJRFSTBOBDFPTC-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82374;MM82374;C=C(C=CF)C(N)CNC;DTWJFIWRMJGEFG-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82375;MM82375;CC(C(=O)C#N)C(O)C#N;CRASNVRKSXAXGX-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82376;MM82376;C=CC(CN)=C(C)C(C)N;GFYIBGPXWCGSOV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82377;MM82377;C=CC(C)C(O)C(=O)C#N;XCAPJPPNBYSXSY-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82378;MM82378;C=CC(=C)C(O)C(O)C#N;QILKPIIXXUJQCQ-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82379;MM82379;C=C(C#N)C(O)C(O)C#N;VGHDTWPBTULTQW-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82380;MM82380;N#CC(=O)C(O)C(O)C#N;JXYKQNWRAJJPOC-UHFFFAOYSA-N;140.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82381;MM82381;C=C(C#N)C(F)C(O)C#N;OAFRQNGHQDRDQD-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82382;MM82382;C=CNC=NC(C)C(C)N;AGSODDJZTTVQBV-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82383;MM82383;C=CCC(=N)N(C)C(C)=N;AYLJSRLYFADPLT-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82384;MM82384;CN(C)C(=NNC=N)NN;CPASKGDVAVPCEZ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82385;MM82385;C=C(C#N)C(C)N(O)C=O;FYMCEQFUAWOIKI-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82386;MM82386;CC=NN=CNC(=N)N;LRLXHUBEZIEBLU-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82387;MM82387;C=C(C)C(=C)C(N)CNC;RSDRKYZKXFCYMH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82388;MM82388;CC(=O)CNN=CCF;GSMZCBYTJUPULB-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82389;MM82389;CCNC(CCN)COC;UIOGWSOYZDDUCY-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82390;MM82390;CCCCC(N)(CC)CN;HILDMLVQDDBFMP-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82391;MM82391;CC(C#N)N(C)C(=O)C=O;WNYKWMVWYXVAIV-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82392;MM82392;CN=C(NN)NC=NNC;DTCIKCWMOLVTKX-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82393;MM82393;C=CN(N=CC)C(=N)N;KEKILUQLFMFIJY-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82394;MM82394;CCN(OC)C(=N)NN;QBQFJDINUPZSLE-UHFFFAOYSA-N;132.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82395;MM82395;CC(C#N)N(O)C(=N)C=O;NCXQTMPHFANRQX-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82396;MM82396;CCC(N)(CN)CCCF;LORLNXDLEHQEGU-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82397;MM82397;C#CC(C#C)(CCN)OC;AJNHOITVBZBKQA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82398;MM82398;C#CC(=O)C(O)C(C)C#N;NIEKCBLSGUEBAV-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82399;MM82399;C#CC(=C)C(O)C(O)C=C;BBNHGSAJCQPCAB-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82400;MM82400;C#CC(=O)C(O)C(O)C#N;WPVSVLSPWWMGIL-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82401;MM82401;C#CC(=C)C(F)C(O)C=O;UQSPUMFPNSDBBL-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82402;MM82402;C#CC(=C)C(F)C(O)C#N;XQMCIMQCKWCXDM-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82403;MM82403;CN=C(NC)N(C=N)C=N;WYABEVLAMDDDHS-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82404;MM82404;C#CC(=O)N(C)C(C)C=O;QPNMMSPCWBKDEN-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82405;MM82405;C=C(C#N)C(=C)NC=N;MZGTZYJQPPLLBW-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82406;MM82406;C=C(C=CC(C)NC)CN;VZMLJKIVINBSDW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82407;MM82407;C=CC(N)CC(=CC)CN;REGDOTQFYJPLPU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82408;MM82408;CCC(N)C=C(CN)CF;JSTVQXUMJNRZSO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82409;MM82409;C#CC(=O)C(=N)NCC#N;BTZBBBKSYGZSIH-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82410;MM82410;CC=NOC(C)=NNC;VDTWRHHUJNOTHM-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82411;MM82411;C=NNCC#CCC(C)N;IPJCTTBTRVNEPT-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82412;MM82412;C#CC(C)C(CCN)=NO;FAZFPIGLVVJKQL-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82413;MM82413;C=CC(CN)CC(C)=NO;DSKMVDJSTYFYIG-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82414;MM82414;CCC(C)(N)C(O)COC;QLBBBEVVDQJAFA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82415;MM82415;C=CC(=CC(N)CC)CN;MBCKYWULKYMTEV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82416;MM82416;C#CC(C)N(C)C(=O)NC;SDOOIFXKEFJMJN-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82417;MM82417;CC(C)(O)C#CC(=N)N;RSYMAVPMOYLWND-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82418;MM82418;CC=C(C=CC(C)N)CN;VVTZWQYVPODSEK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82419;MM82419;C=C(CN)C(=C)C(N)CC;RGNRKUVSLVXMKJ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82420;MM82420;CN(C=N)NC(C#N)C#N;ZGVDBBQVIVMBIA-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82421;MM82421;C#CC(C)C(O)C(=O)C=C;DVSVTAQVNYXKTN-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82422;MM82422;C#CC(O)C(F)C(=C)C#N;STGUIJUMXSKLCQ-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82423;MM82423;CCC=CC(=N)NCC#N;QLDNHGXLXDGJQA-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82424;MM82424;C#CC(C)N(C)C(=O)C=O;FOJAWZTVVJBSNW-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82425;MM82425;C=C(C)NC(CO)=NC;QFMGNOJGPVVKMH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82426;MM82426;C#CC(=O)C(O)C(C)C#C;YFBIDSXWTBRXKH-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82427;MM82427;C=CNC(CO)=NCC;GJKHJRLULFFVNX-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82428;MM82428;C#CC(=C)C(O)C(O)C#C;QKKIHRPHRPQJLD-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82429;MM82429;C#CC(=O)C(O)C(O)C#C;AWZMDGATYBRLFC-UHFFFAOYSA-N;138.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82430;MM82430;C#CC(=O)C(F)C(O)C#C;SLLUSLRRQWAEFK-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82431;MM82431;C=CCC(O)C(C)(C)N;HQIHZDWLVRRILJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82432;MM82432;CCC(=O)C(C)C(=O)CO;DOYZQQRMIYAEES-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82433;MM82433;NCC=CC(N)CC=CF;ABSVGAZZUJIOLM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82434;MM82434;C#CCCC(C)(O)CNC;XYXFIDKDCGTXJA-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82435;MM82435;CNCC(C)(O)CCCF;KHESUENQFMZTAC-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82436;MM82436;C#CC(=NOCC)NN=C;WVINGIDAZADGLU-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82437;MM82437;CCCC(C)(O)CNC;VLDJSKUONPWBLF-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82438;MM82438;C=C(C=O)C(F)CCNC;KFYJBOKSIBIRTR-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82439;MM82439;C=C(CC)N(C)C(=O)CO;OTUHYINFPRXZCM-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82440;MM82440;C=C(NC=NC)C(F)CN;RILUEJJCPMPPHL-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82441;MM82441;CC=NOC(CC)=NN;BEQPTUBAXYJKMU-UHFFFAOYSA-N;129.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82442;MM82442;CC(C)=NNC(=N)OC=O;LPOHCBZJNHGVMJ-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82443;MM82443;C=NOC=NN=CC=NN;IZNGPRMMZWSZIM-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82444;MM82444;CCOCCCN(N)C=N;GCUAVDBVWFFTBI-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82445;MM82445;CN=C(N)C(=O)C(=O)C#N;UUPWJOHTCJDSDU-UHFFFAOYSA-N;139.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82446;MM82446;CCC(C)(O)CNC;LTKOALBSODNLAO-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82447;MM82447;C=CC(=C)CNCCCN;XJRNEEARTSOASZ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82448;MM82448;CCC(N)(CO)CCOC;SHDGFEICHAFVBQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82449;MM82449;CNC(=N)C#CC=COC;PGHURRVFUWJCRG-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82450;MM82450;C=C(CO)C(C)C(=O)C#N;XOIZOPSSWFRPEC-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82451;MM82451;CC(C(=O)C#N)C(=O)CO;VLZICNSMELSMQO-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82452;MM82452;C#CC(CCF)N(C)C=N;UPVNRQDNTXDJEW-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82453;MM82453;CNC(=O)C(C)C(=O)C=O;ZXFNFTKJORBHGQ-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82454;MM82454;CCC(CNC)=C(C)CN;ZSGKJLIHLHADKQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82455;MM82455;CC(C)CC(C)(N)CO;YEMAIZYKPDFKNU-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82456;MM82456;C=NOCC(C#N)=NOC;ZROBLJXBALDOLY-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82457;MM82457;C#CCNC(CCN)=NC;NAEKFKSUOQUJLQ-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82458;MM82458;CN(C(=N)CO)C(=O)C#N;FTBCSRUDHNHESA-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82459;MM82459;C=C(C=O)N(C)C(=O)CC;XLYJBCLGFFLBBK-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82460;MM82460;C#CC(C(=C)OC)C(=N)N;QOWVVDUUQUOUPQ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82461;MM82461;CCC(=O)N(C)C(=N)C=O;QRPFQRITUOSZLV-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82462;MM82462;CCC(=O)N(C)C(=N)C#N;GJLXNOVMLUJYGW-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82463;MM82463;CCC(=O)N(C)C(=O)C#N;CMZKZKIIKXUFHZ-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82464;MM82464;CN(C(=O)C#N)C(=O)CO;RIMVISLOORTXGQ-UHFFFAOYSA-N;142.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82465;MM82465;CN(C(=O)C#N)C(=O)CF;NNSZZEIMTCLHHU-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82466;MM82466;CCNC(C)(C)CO;CPEPOQRXWWGDCU-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82467;MM82467;CNCC=C(CF)C(C)N;NNCAQHRHJRWXSU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82468;MM82468;C=CNC(=N)N(C=N)C=N;XOSPSOWEDIXFAE-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82469;MM82469;C=NN=C(C#N)CON=C;UALRLFFQSMICQT-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82470;MM82470;CCCCN(N)C(=N)NO;RTQDIUIDPYAQAW-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82471;MM82471;C#CC(C#C)NC(=O)NN;WNUNRHLKGHNVGN-UHFFFAOYSA-N;137.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82472;MM82472;C=CC(=CC)C(N)CNC;PXCYVFAIICNRSQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82473;MM82473;C=CCCN(N)C(=N)NO;LPARNJBSCOHYOB-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82474;MM82474;CCC=C(F)C(CN)CN;UODUCTUDKKENOG-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82475;MM82475;C=C(C#N)N(C)C(=O)NC;WBAJZHGTZYYMOK-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82476;MM82476;C=C(C#N)N(C)C(=O)NO;UPHRDEMTLLKGCV-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82477;MM82477;CNC(=O)N(C)C(=N)C#N;GILXTHLOPYXVLH-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82478;MM82478;CN(C(=N)C#N)C(=O)NO;TWKJTQOUPFXCSK-UHFFFAOYSA-N;142.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82479;MM82479;CNC(=O)N(C)C(=O)C=O;QUZXICOPSLOSHK-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82480;MM82480;CNC(=O)N(C)C(=O)C#N;TWBUPYKRMKDZSI-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82481;MM82481;C=CCC(NC)C(C)O;WXXZQSSMBGFFQA-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82482;MM82482;CC=CCC(NC)C(C)O;MWSKMDAUUWEFIP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82483;MM82483;CNC(=N)N(O)C(=O)C#N;PQSFUHFXMOGJMC-UHFFFAOYSA-N;142.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82484;MM82484;C=CC(=C)N(O)C(=O)NC;MJFVZHMMMJZFRG-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82485;MM82485;C=C(C=O)N(O)C(=O)NC;FLDSJSHOWWEEBA-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82486;MM82486;C=C(C#N)N(O)C(=O)NC;ZDEOYJIVDLOEDN-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82487;MM82487;C=CC(CN)=C(C)CNC;AFIFFKPCJPKNLM-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82488;MM82488;C=C(C#N)N(C)C(=O)OC;PTQDLNACHZESOG-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82489;MM82489;COC(=O)N(C)C(=N)C#N;GIUUKIAJEZERIF-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82490;MM82490;COC(=O)N(C)C(=O)C#N;ZIJPYNUKLPRQOK-UHFFFAOYSA-N;142.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82491;MM82491;N=C(N)C#CCF;QASLXQNXRFQFKI-UHFFFAOYSA-N;100.1;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82492;MM82492;CCN(C=N)NC;HNSNYRQUWWCWTP-UHFFFAOYSA-N;101.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15471;MM15471;C=CC(=C)N(O)C(=O)OC;USXHJFJSRCDMLT-UHFFFAOYSA-N;143.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82493;MM82493;COC(=O)N(O)C(=O)C#N;UBHIHYYHPJQACN-UHFFFAOYSA-N;144.09;-0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82494;MM82494;CC(C)C(C)(N)CN;CUGUEZKINWGNPZ-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82495;MM82495;CNC(=N)C(=N)NO;DEZVWLXLHYEGRD-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82496;MM82496;CCNC(=N)C(=CF)CO;ZUSBPTDLWURBHD-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82497;MM82497;C#CC(=O)C(O)C(=C)CF;QDGQSCLRYNPREV-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82498;MM82498;C#CC(=C)C(C)C(=O)NO;YDCCAJWFEFOOQZ-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82499;MM82499;C=CC(C)C(CO)NC;GILXPNPEMNPMAG-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82500;MM82500;CC(=CF)NC(=O)NN;NAKJSJIPQBWBJE-UHFFFAOYSA-N;133.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82501;MM82501;CC(C)=CN(N)C=N;MZCCMUSCYGUDLJ-UHFFFAOYSA-N;113.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82502;MM82502;C#CC(=C)C(O)C(=O)OC;LWUVOOJGHVGROZ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82503;MM82503;C=CCC(C(C)N)C(C)O;KXXOXBCOIDPPLK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82504;MM82504;C#CC(=C)NC(=O)NN;ZOFNHPWLWQGWPA-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82505;MM82505;C=C(C)CNCCC;JMGZIGRZHQPVDS-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82506;MM82506;C=C(C)CCNCC(C)O;VEPZJMSANNQTCE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82507;MM82507;C#CC(=C)N(C)C(=O)CF;HUZPUDIJUAJYRJ-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82508;MM82508;CC(F)=C(C)NC(=O)NN;FAUZTIWIOXIHRG-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82509;MM82509;CCC(N)(CC)CN;ZVZPXKGMHIJPET-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82510;MM82510;C#CC(F)CCNC;NMYLIOHUCURKQP-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82511;MM82511;C=C(CN)C(C)(C)CN;WXXANWBNNKNSET-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82512;MM82512;C#CC(=O)N(O)C(=C)CC;AVFXJXYCSVKDRZ-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82513;MM82513;CCC(=CC(C)N)CN;CZUUBJPHRHAWOP-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82514;MM82514;C#CCN=CNC(C)=N;IBOSLGPLIDQGDK-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82515;MM82515;C#CC(=C)N(C)C(=O)NC;SNINVHDPRFBVLS-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82516;MM82516;C=C(CF)C(CO)CNC;PJYCMTKBSFIQGW-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82517;MM82517;CN(C(=N)N)C(N)=O;DBYAIUUOJCGEPZ-UHFFFAOYSA-N;116.12;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82518;MM82518;CCC(F)=CNC(=O)NN;PIWLUFHFKHAKCT-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82519;MM82519;C#CC(=N)N(C)C(=O)NO;ZNMPSEHNUIPQBM-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82520;MM82520;C#CC(=O)N(C)C(=O)NC;HFEUZKAHPVDBDL-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82521;MM82521;CC(N)C=CC=CCN;MYUVAHZVVMMLHA-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82522;MM82522;CCCNC(C)CNC;NMVLBZWHYMVKAT-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82523;MM82523;CC#CC=CNC(=O)NN;OCZOOTGHXPNNOE-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82524;MM82524;CCC#CCNNC(C)=O;GQNDENAYIJVATN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82525;MM82525;CC#CCN(C)C(=O)NN;JUBCDAJTAOGDMR-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82526;MM82526;C#CC(=C)N(N)C(=O)NO;WKCUANGNKXESEJ-UHFFFAOYSA-N;141.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82527;MM82527;C=NNC=C(C#N)NC=O;SQURYLYQSRZEIG-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82528;MM82528;C#CC(=N)N(N)C(=O)NN;PWYAFQCDNXDWNQ-UHFFFAOYSA-N;141.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82529;MM82529;C=CCNNC(=O)OC;MBXNLGDSFBPCKC-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82530;MM82530;C=C(C)NC(=O)NN;HRIRYPCTSSOZKA-UHFFFAOYSA-N;115.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82531;MM82531;C=CC=CNC(=O)NN;DLMSVPLJDRXMLT-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82532;MM82532;C#CC(=C)N(O)C(=O)NC;JLAXQNZPSZZVKG-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82533;MM82533;C#CC(=C)N(O)C(=O)NN;MHMHEXHGIYTPEX-UHFFFAOYSA-N;141.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82534;MM82534;C#CC(=N)N(O)C(=O)NC;UXGAZWVHFLKJBP-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82535;MM82535;C#CC(=O)N(C)C(=C)OC;HYTDWGOWTRICSX-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82536;MM82536;C=CCNC(C)CCN;WDFQWPWWLSFEIA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82537;MM82537;C=CCC(=N)NCC#N;AMXZNRHNPBFZIF-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82538;MM82538;CNCCC(N)=CC#N;DBWAAMROLQNAEZ-UHFFFAOYSA-N;125.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82539;MM82539;C#CC(=O)N(C)C(=O)OC;WMVCRFHGOMWDHX-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82540;MM82540;C=CC(C)NCCCN;HVCNJQBFUCETAA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82541;MM82541;C=CC(N)CC=CCN;JWCPAJXBXGFSAO-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82542;MM82542;C#CC(CNC)CNC;LSWWJHRFIVRVHF-UHFFFAOYSA-N;126.2;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82543;MM82543;CC=CN(C=N)NCC;SZJWGMFSOYFZMY-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82544;MM82544;C#CC(C=CCO)C(C)N;YFCCTOBPIFVGSS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82545;MM82545;CCNCCC#CCCO;VIXNLTAUFOTPES-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82546;MM82546;C#CC(=C)N(O)C(=O)OC;QAQQCXGMOFESCM-UHFFFAOYSA-N;141.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82547;MM82547;C=C(C#N)C(O)C(=C)C=O;LZYGHIBAPMKHIH-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82548;MM82548;C=CC(=O)C(O)C(=C)C=O;INCHNRVXXIIUPF-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82549;MM82549;C=C(C#N)C(O)C(=O)C=O;WATIKDZFDKCGAG-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82550;MM82550;C=C(C=O)C(O)C(=O)C#N;HAZNZRHUCBPRGA-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82551;MM82551;C=C(C#N)C(O)C(=O)C#N;XLSZJNVEFCDNGU-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82552;MM82552;COCC(CN)C(C)F;HWOXWVOIBVFIOW-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82553;MM82553;C=COCC(CN)CF;RJQRFIBGUJRFGW-UHFFFAOYSA-N;133.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82554;MM82554;CCC=CN(C=N)NC;LFWDAOPVXOCWGN-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82555;MM82555;C=C(F)C(C)(N)CC(C)N;NGPALBQTCNXCGT-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82556;MM82556;C=C(C=O)N(C)C(=O)C=O;BAQUXPMQSAEQPA-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82557;MM82557;C=C(C#N)N(C)C(=O)C=O;FJPVJPFOSSKVJQ-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82558;MM82558;C=C(C=O)N(C)C(=O)C#N;JGVFIAUWFCEKRM-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82559;MM82559;C=C(C#N)N(C)C(=O)C#N;ITNJLBWMQPPKDT-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82560;MM82560;CC(N)CC#CCN(C)C;SSPCQLIUBUCRAD-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82561;MM82561;C=CC#CC(N)CC(C)N;JYINFCFPCWQQRY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82562;MM82562;C#CC#CC(N)CC(C)N;GMXFSWDLZKPRBN-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82563;MM82563;C=CC(NC)C(C)(N)CC;XZZRQOYTMZJKQO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82564;MM82564;C=CC(=O)N(C)C(=N)C#N;UTOVGVDZGNQZOP-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82565;MM82565;CN(C(=N)C=O)C(=O)C#N;JOCNTAYGCZNUNG-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82566;MM82566;CN(C(=N)C#N)C(=O)C#N;VQMBFUCNNFDGDH-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82567;MM82567;C=CC(=O)N(C)C(=O)C=C;CEHHGEQOHMSYEE-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82568;MM82568;C=CC(=O)N(C)C(=O)C#N;UUOXSNMVSWTGDB-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82569;MM82569;CN(C(=O)C=O)C(=O)C=O;BZULYFFESBEVQO-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82570;MM82570;CN(C(=O)C#N)C(=O)C#N;CTHHEAODWYIIJZ-UHFFFAOYSA-N;137.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82571;MM82571;C=CC(C)(N)CCOC=O;KKSTZMYBPCCZQP-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82572;MM82572;C=C(C=O)N(O)C(=N)C#N;CQPDWUYCOJSUTC-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82573;MM82573;C=C(C#N)N(O)C(=N)C#N;VKYBHVRGTZAKDP-UHFFFAOYSA-N;136.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82574;MM82574;C=C(C)C(=C)NC(=O)NN;LTAAFYMKOLIBLT-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82575;MM82575;N#CC(=N)N(O)C(=N)C=O;YYXRHRSSOZWLNB-UHFFFAOYSA-N;140.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82576;MM82576;N#CC(=N)N(O)C(=N)C#N;VHFGYUYOKGOROF-UHFFFAOYSA-N;137.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82577;MM82577;C#CC(=O)C(O)C(=C)C=C;UFZUZEILRZNJKO-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82578;MM82578;C#CC(=O)C(O)C(=C)C=O;UHELCFVZGUGWFH-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82579;MM82579;C#CC(=C)C(O)C(=O)C=O;BNRFHGKEDBCIRM-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82580;MM82580;C#CC(=O)C(O)C(=O)C#N;WWDGANKGYTXVFN-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15513;MM15513;C#CC(=O)C(F)C(=O)C#N;QZNMELZWFAYJAW-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82581;MM82581;CNC(C)(C)C(N)COC;JPICCAJUKNXZOR-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82582;MM82582;CCNC(C)(CN)CCF;VVRVLFNGFNDVJY-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82583;MM82583;C#CC(=O)N(C)C(=C)C=O;SUTFVFAKDLBIEO-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82584;MM82584;C=CC(N)(CNC)C(=C)C;DPOLCBUBHLZBDY-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82585;MM82585;C=NOC(C)C#CC(=N)N;YPZFTSGSMSIFLZ-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82586;MM82586;C=C(CN)CCCN(C)C;OKPQFMBOIBYBQG-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82587;MM82587;C=CC(N)C#CCC(C)N;WZPPXHODQYHXOQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82588;MM82588;C#CC(=O)N(C)C(=N)C=O;DNZJZNUCEDVLMB-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82589;MM82589;C#CC(=O)N(C)C(=N)C#N;DGJQHZBMIMIUDK-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82590;MM82590;C#CC(=C)N(C)C(=O)C#N;RSEWEZKBPBCTIU-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82591;MM82591;CC(=CC=CC(C)N)CN;JZAWJKWEVLTBCC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82592;MM82592;C#CC(N)CC(N)CC=C;KEDSEXCBMDODBN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82593;MM82593;C#CC(=O)N(C)C(=O)C=C;ZXAXVCRXQCGEDV-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82594;MM82594;C#CC(=O)N(C)C(=O)C=O;WMQVGEDYQTVMDY-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82595;MM82595;C#CC(=O)N(C)C(=O)C#N;LNAXSNVSSREZEY-UHFFFAOYSA-N;136.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82596;MM82596;C=C(C=C(C)CNC)CN;ZIDLTJMNFSLFGJ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82597;MM82597;CN(C)CC(CN)CCF;SIVMGJOJBBICPQ-UHFFFAOYSA-N;148.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82598;MM82598;CCCC(=CC(C)N)CN;FGPXZYPKXABMBN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82599;MM82599;C=CC(=CC)NC(=O)NN;JVIXZFRTZNKVOX-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82600;MM82600;C#CC(=O)N(O)C(=C)C=C;HEKAQVRFTIDYTL-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82601;MM82601;CCC(N)C(C)CNC=O;VQDNSRUTJHEXPR-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82602;MM82602;CC(C)C(N)CCNC=O;ASFGRRGCZQJDPI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82603;MM82603;C=CC(N=CN)C(C)C=O;HWERMZUHGZWVAN-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82604;MM82604;CNCCCN(C)CC=O;MFPADZVKEHZTEB-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82605;MM82605;C#CC(=O)N(O)C(=N)C=C;IAUSVEBJHBVBNQ-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82606;MM82606;C#CC(=C)C(O)C(=O)C#C;BCPQBPQZENAVFX-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82607;MM82607;C#CC(=O)C(O)C(=O)C#C;SFVAZZZCTRERPY-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16580;MM16580;C#CC(=O)C(F)C(=O)C#C;AGBRXFBXIWUIGN-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82608;MM82608;CC(N)C=C(CN)CCF;RJOUJYQJIUBBTP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82609;MM82609;C#CC(=C)N(C)C(=O)C#C;HONWVRPMGPVGCW-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82610;MM82610;C=CCC(=CC(C)N)CN;MMESQWKUDDYXDY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82611;MM82611;CC(C)C(CN)CN(C)C;RIQCFCILVYQVNJ-UHFFFAOYSA-N;144.26;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82612;MM82612;C#CC(=O)N(C)C(=O)C#C;OTANFTCCBJITQA-UHFFFAOYSA-N;135.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82613;MM82613;CC(N)C=C(CN)C(C)C;ZXZZFGOUHJBMOS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82614;MM82614;C#CCON=CNC(=N)N;KIJJGLQKHYIEQF-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82615;MM82615;COCC(C)NCCCN;AJOPWLVPPGGCDV-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82616;MM82616;C=C(C)C(N)C(CC)CN;HRCHEPBAJWINFG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82617;MM82617;C#CCCNC(C)C(C)N;UYIXIXRVPZFYIH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82618;MM82618;N=CNN=CNC(=N)N;UZLWQCAOBBUNNV-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82619;MM82619;C#CC(=C)N(O)C(=O)C#C;MNZLAQPGELKLRY-UHFFFAOYSA-N;135.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82620;MM82620;C=C(C=CC)NC(=O)NN;XQZWKPARMZLISP-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82621;MM82621;CC=CN(N)C(=N)C(=N)N;AHXNHXCTSHDSPG-UHFFFAOYSA-N;141.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82622;MM82622;CC=CNC(=O)NN;QPIVNRSZFCQWML-UHFFFAOYSA-N;115.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82623;MM82623;C=CC(OC=NN)C(=N)N;VTMRNVXGXZLNJU-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82624;MM82624;CNC(=NN)NC=COC;KYSGHKGYHQNVIY-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82625;MM82625;CCN(C)C(=O)C(C)CO;LFHRMWJZMGDBFS-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82626;MM82626;CON=C(C)C(C)C(C)N;KOEMIVAVYUNZAN-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82627;MM82627;C=C(C(O)C#N)C(C)CO;HCWMEQJOWFTTSX-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82628;MM82628;C=CCC(=CCN)CNC;QLTCCIPXKRRDRN-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82629;MM82629;C=CCC(=C)NC(=O)NN;KFEFBNROXDEAPV-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82630;MM82630;CNCCCNN=CC=O;BTJGFIJJFXFQKO-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82631;MM82631;C=C(C(O)C#N)C(O)CC;WLYRATJGVDOHDP-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82632;MM82632;C=C(C(O)C#N)C(O)CO;FJDUEAMFTQKJOB-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82633;MM82633;CC(C#N)C(=O)C(F)CO;CBMILZNHBKOWKO-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82634;MM82634;CNCCC(C)NCC=O;GJVJTZYVENUVHY-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82635;MM82635;C=C(CC)NC(=O)NN;JNSWOJREURIPDZ-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82636;MM82636;N#CCN(C=O)NC(=N)N;YHPRFKIKXHTTGM-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82637;MM82637;C=C(C(O)C=O)C(C)OC;BQVXIZOFHUVARZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82638;MM82638;C=C(C(C)CO)N(C)C=O;VJLGJDWHQIYNBE-UHFFFAOYSA-N;143.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82639;MM82639;C=C(C(O)CO)N(C)C=O;MPHAEIWPXNIJET-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82640;MM82640;C=CCC(=CCN)C(C)N;VYBQZIWLKDJSEX-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82641;MM82641;COC(C=O)C(=N)N;BEAOAFJXUBTJTC-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82642;MM82642;CCNCC(C)(CN)CF;FEXFCOUHNHTKFO-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82643;MM82643;C=CC(CC(=C)CN)NC;GIZGXDCOESFERH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82644;MM82644;C=CC(CC(C)NC)=NN;RJIQEWPLQIKIDN-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82645;MM82645;C=C(CC)C(N)C(C)CN;MCXGAARLYVAZQT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82646;MM82646;C=C(C(C)OC)N(C)C=O;IFXOLEBGIKRBCI-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82647;MM82647;CC=C(C)NC(=O)NN;FFIHQMCCSCPVFA-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82648;MM82648;C=CC(=O)C(C)C(C)NC;NADXKHRASBRASG-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82649;MM82649;CC=C(C)C(N)C(C)CN;VCLLSDWYEBGHNY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82650;MM82650;CNCCC(F)C=CC=O;UZYJUBAKDBHPRW-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82651;MM82651;CNC=NC(C)C=NOC;YEKSLKZBGLJAFU-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82652;MM82652;CNCCC(F)C#CCN;RYYWGOFFNRGLCO-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82653;MM82653;C#CC(=N)NCC=CC=O;MXJOQMGHFOFGBY-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82654;MM82654;C=CC(=CCN)C(N)CC;YBBXAWYIWYXXNK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82655;MM82655;CC(C)=CNC(=O)NN;VSWZBSDUHAJLHV-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82656;MM82656;CC(F)C(C=NO)CN;WCKRPZKXDYFDBI-UHFFFAOYSA-N;134.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82657;MM82657;C#CCCC(C#C)NC=N;COOIKGJGJHSBHA-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82658;MM82658;C=C(C(C)C#N)C(O)C=O;ROGRHEGRPQDLMZ-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82659;MM82659;C=C(C)C(=NC)N(C)NC;XICHAPWEILBZCA-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82660;MM82660;C=CC(O)C(=C)C(O)C#N;FOHAESCLSMIZBX-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82661;MM82661;C=C(C(O)C#N)C(O)C#N;UVXFJJPQRGCGIQ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82662;MM82662;C=CC(C)C(=O)C(O)C=O;VWCNFDAIVLBPDM-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82663;MM82663;CC(C#N)C(=O)C(O)C#N;UJPIGCHFKCSAAM-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02079;MM02079;CC(C#N)C(=O)C(F)C=O;BIHARERKXXUCEM-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82664;MM82664;N#CC(O)C(=O)C(O)C#N;IEWNGMPPFZZRNU-UHFFFAOYSA-N;140.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82665;MM82665;N#CC(O)C(=O)C(F)C#N;GFEUUGAQYYOFSQ-UHFFFAOYSA-N;142.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82666;MM82666;CC(C)=C(C)NC(=O)NN;PSGXAKMRWXASJN-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82667;MM82667;CCC(C)=CNC(=O)NN;CFGGBBDAFDBRSR-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82668;MM82668;C=C(C(C)C#N)N(O)C=O;HWRKYIQZFQGELH-UHFFFAOYSA-N;140.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82669;MM82669;C=CC(C#CCN)C(C)N;QVJASQNARSXBHX-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82670;MM82670;C=C(C(O)C#N)N(C)C=O;LFCJYWDDUAFHAP-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82671;MM82671;C=CC(C)N(C)C(=O)NN;ZVOHTWDDVIQZHA-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82672;MM82672;CC(C)N(C)C(=O)NN;YPDQFPBKQNQNQK-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82673;MM82673;CC=C(C=NO)CCN;VBEKVEZKCKGLCQ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82674;MM82674;CCC(C)N(C)C(=O)NN;KFPFBINEZJRQJG-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82675;MM82675;C=C(C=NO)CCN;MBTTYYJDZIDUQL-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82676;MM82676;CN(C=O)C(=N)C(F)C#N;CRZJTAMFIVTJEK-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82677;MM82677;C=CN(C)C(=O)C(C)C#N;YANSENQNUXYUOL-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82678;MM82678;CN(C=O)C(=O)C(O)C#N;DTQFMEPTWFDJSI-UHFFFAOYSA-N;142.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82679;MM82679;C=CN(O)C(=O)C(O)C#N;RNAUVECCSYSNRN-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82680;MM82680;CCCN(CC)C(=O)NN;ITTZSMNLWUYPRB-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15986;MM15986;C=NN(C)C(=O)C(C)C#N;FYUNGJDJHZROTL-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82681;MM82681;C=CCOCC(CN)CF;JTDQHRMNHAREHM-UHFFFAOYSA-N;147.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82682;MM82682;C=CC(CCNCC)=NN;JBJZJDJSPOSFSU-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82683;MM82683;CNCCCNC=CC=O;IUFSLQGQVDOBBW-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Methylamine;MM00515;CN;BAVYZALUXZFZLV-UHFFFAOYSA-N;31.06;-0.43;6329;DB01828;NME;CHEMBL43280;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82684;MM82684;CNCCN;KFIGICHILYTCJF-UHFFFAOYSA-N;74.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82685;MM82685;C=CC(F)(C=NN)CO;WUNZETYJZWTDOM-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82686;MM82686;C=NN=CN(O)C(C)=NN;RYNVEUWWILYNDY-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82687;MM82687;C#CC(O)C(=C)C(O)C=C;NUKPTFNFADHXCO-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82688;MM82688;C#CC(C)C(=O)C(O)C=O;SQYFMSZUAIUFAW-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82689;MM82689;NCCC(F)=CF;YOXFYQUNPSRCPV-UHFFFAOYSA-N;107.1;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82690;MM82690;C#CC(C)(F)CCN;MIALHNSLIZOVSO-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82691;MM82691;C#CC(O)C(=C)N(C)C=O;DCUCYMAAYRWFQC-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82692;MM82692;C#CC(F)C(=C)N(C)C=O;ZQDPFFCYXNSAJZ-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82693;MM82693;CON=C(CO)N(C)O;IGJJRNPGOPUJDI-UHFFFAOYSA-N;134.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82694;MM82694;CN(C)N=CC(F)CO;KBZCWWPHAXLHRA-UHFFFAOYSA-N;134.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82695;MM82695;C#CC(O)C(=C)N(O)C=O;UYXYFSPONYGJJJ-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82696;MM82696;CC(CN)CN(C)C;DAMJSIMZZSEQRD-UHFFFAOYSA-N;116.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82697;MM82697;C#CC(N)CC(C)N;QUXILOCCGCRWAJ-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82698;MM82698;C#CC(O)C(=C)CC(C)N;KSYWQMMRIVLZME-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82699;MM82699;C#CC(O)C(=N)N(C)C=O;CQVCPOGLTCCZFD-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82700;MM82700;C=CC=CN(O)C(=N)N;JPLXCJOLRJDCEM-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82701;MM82701;CC(F)(C#CCO)CCN;RJZAFTRBCPUHCC-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82702;MM82702;CC=CN(O)C(=N)NNC;LIINUYWAQBJOSW-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82703;MM82703;C=C(F)CC(=N)NN;ORVVHWSJQFSXKE-UHFFFAOYSA-N;117.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82704;MM82704;C#CC(O)C(=O)N(N)C=N;ILXDKNJFITXODC-UHFFFAOYSA-N;141.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82705;MM82705;CC(O)C#CC(C)C(C)N;LWCKJZGWWRFYBW-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82706;MM82706;C#CC(O)C(=O)N(O)C=C;ZXLHBFFAJKFMGA-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82707;MM82707;C=CC(C=C)N(O)C(=N)N;LIZCQRRZDUFQCY-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82708;MM82708;C=C(C)C(O)C(C)C(C)N;GAUBRJRFAKIZGY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82709;MM82709;CCC(O)C(C)(C)N;NFZHDQFMWNCLMM-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82710;MM82710;C#CCC(N)CC=C;KXOFRYQXFVHHII-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82711;MM82711;C#CC(C)(CO)NC(C)=N;WFJKONAGOGCPNR-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82712;MM82712;C#CC(O)C(=C)C(O)C#C;HSELVFGULYITCT-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82713;MM82713;C=CNC(=N)C#CC;LRUOPHLXMXWGAT-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82714;MM82714;CN(O)C(=N)C=O;CLCJWYJGXUSEBG-UHFFFAOYSA-N;102.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82715;MM82715;CC(C)(C#N)NN=CCO;HVLIRRUOFCNEPU-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82716;MM82716;CC(CCN)N(C)C;HMNAAVUZNWPXDC-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82717;MM82717;CC(F)(CN=CN)C(N)=O;ZYEBXCVPSUUCHA-UHFFFAOYSA-N;147.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82718;MM82718;CCN(C)CCCN;FRVNYRKFLIOCNF-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82719;MM82719;N#CCCC=NOCCO;WJMHKCZLUFNLTP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82720;MM82720;C=CC(NC)C(C)C;IQWORNMACULZTC-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82721;MM82721;C=C(C#N)C(=C)C(O)CO;XWCOZPANYWYYMS-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82722;MM82722;C=CC(=O)C(=O)C(O)CC;WAPHFYAIBRYOMJ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82723;MM82723;C#CC(C=NOC)CO;NOKOFYJUAZFRKQ-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82724;MM82724;CC(N)(C=CF)CCN;VYQQGPFIDIJLIU-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82725;MM82725;CC(N)C(C)(N)CCF;QOUQKPAFPARXEW-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82726;MM82726;C=C(F)C(N)CC(C)N;JUSGACJQBVEFOR-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82727;MM82727;CON(C)C(=O)C(=O)C#N;XTXHKHDZJZZXQT-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82728;MM82728;N#CCNN=CCC=O;KWQAORPPCKUEFC-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82729;MM82729;C=CC(O)C(C)C(C)N;IPJCYXASUGOEMH-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82730;MM82730;C#CC(=O)C(=O)C(C)OC;XTIMPRAIWRLSNK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82731;MM82731;C=NNC(C)CC(C)N;UMAGAIRRIARVKH-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82732;MM82732;C#CC(=C)C(=O)N(C)OC;LNXHQIGDGAIGOB-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82733;MM82733;CC#CC(N)CC(C)N;LDIWHQYBQBFOEV-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82734;MM82734;C=C(C(=O)CF)C(O)C#N;PNLURLIZMCTDEB-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82735;MM82735;C=CC(C)C(=O)C(=O)CO;WPFACTYJNOJZBU-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82736;MM82736;C=C(CC)C(=O)C(O)C=O;CRMHBMAENPLVNQ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82737;MM82737;C=C(CC)C(=O)C(O)C#N;UAHPTTWLRAEOTC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82738;MM82738;C=C(CF)C(=O)C(O)C#N;WJPPDKWVHQMINO-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82739;MM82739;C=C(CO)C(=O)C(F)C#N;XVHKNDAMQYSJDU-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82740;MM82740;C#CC(C)(F)CCNC;SKJKVKCBEMASAP-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82741;MM82741;CC(C)(CCO)OC=NN;ZMSLERAQPICJEX-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82742;MM82742;C#CC(F)(CF)CCN;RKRJYKHBOICISO-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82743;MM82743;C=C(C(=O)NC)C(O)C#N;CBOKBZTVSLHOFY-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82744;MM82744;CC(C#N)C(=O)C(=N)NO;PEBSPJZLNQYUIO-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82745;MM82745;CNC(=O)C(=O)C(C)C#N;IDTNKJVXGUYEDQ-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82746;MM82746;CC(C#N)C(=O)C(=O)NO;HFWSWULKDFDMNA-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82747;MM82747;CN=C(N)C(=O)C(F)C#N;RNHNQNQXQIVKRN-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82748;MM82748;N#CC=C(N)OCCCO;DBEYGFOFBLEXQA-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82749;MM82749;CCNCCC(CO)OC;HQVFEGQBRVRTLG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82750;MM82750;C#CC(C)(CN)CNC;TWLGZOUMGRIQJT-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82751;MM82751;C#CC#CC(=C)NC=N;RECRLOHMZCFLMW-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82752;MM82752;CCCC(C)(N)CO;ATRNFARHWKXXLH-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82753;MM82753;C=CC=CNC(=N)NO;BIPDUFAHSXWDET-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82754;MM82754;C#CC(C#N)NN=C;PXQFYTKVFNHIIJ-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82755;MM82755;CC(N)CC(=CF)C(C)O;CLENXFSHNAAPJQ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82756;MM82756;CC(CN)=C(C)C(C)N;BOTIQDJZPVKTAS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82757;MM82757;CON=CC(C)C(C)N;XWKPJGKHJBZRQM-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82758;MM82758;CCN(C)N(CC)C(N)=O;VPJSIYMHCYNDAU-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82759;MM82759;C=NN=CC(C)C(C)N;JEVCDWRSZQBJQF-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82760;MM82760;C#CC=CC(=N)N(C)N;CNQYNRMSPZUSBN-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82761;MM82761;C=CC(O)C(=C)C(=O)C=O;IORWAOIHCQKXMS-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82762;MM82762;C=CC(O)C(=C)C(=O)C#N;QXCFJORFFCRVFK-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82763;MM82763;C=CC(=O)C(=C)C(O)C=O;UYJSYGVUTPXCON-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82764;MM82764;C=CC(=O)C(=C)C(O)C#N;NYVVQQGNBFAGIM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82765;MM82765;C=C(C(=O)C=O)C(O)C=O;DFHULRKFEVJDJV-UHFFFAOYSA-N;142.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82766;MM82766;C=C(C(=O)C=O)C(O)C#N;WUZHTEROTHKFDD-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82767;MM82767;C=C(C(=O)C#N)C(O)C=O;PUJZZTWCNPZQOT-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82768;MM82768;C=CC(O)C(=O)C(=C)C#N;DBZNSAHRXGMCJM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82769;MM82769;C=CC(=C)C(=O)C(O)C=O;KTZCKCGTVBCNQE-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82770;MM82770;C=CC(=C)C(=O)C(O)C#N;XQJZHQAVCIHMAR-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82771;MM82771;C=C(C=O)C(=O)C(O)C#N;PAMHLSGHLFWNLA-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82772;MM82772;C=C(C#N)C(=O)C(O)C#N;MKVJRECXMQLALV-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16388;MM16388;N#CC(=O)C(=O)C(O)C=O;TVRXYDMKCIHYGA-UHFFFAOYSA-N;141.08;-1.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82773;MM82773;N#CC(=O)C(=O)C(O)C#N;ZIJLYVXFGATQMG-UHFFFAOYSA-N;138.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16023;MM16023;N#CC(=O)C(=O)C(F)C#N;LSCGHSXBNJEWKL-UHFFFAOYSA-N;140.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82774;MM82774;C=C(C#N)C(=C)N(O)C=O;ZHFAXMONLHTKSK-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82775;MM82775;CNC(=N)C(F)(C#N)C#N;WZXRDVIVUZHWBR-UHFFFAOYSA-N;140.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82776;MM82776;CNC(C)CC#CCN;HIKCBBUGZXESFV-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82777;MM82777;CNCC=CC(C)NC;SUNLLRHIZQXDGL-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82778;MM82778;C=C(F)C(CN)CNC;JHWALTPELYTNQN-UHFFFAOYSA-N;132.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82779;MM82779;C=C(C)C(CCN)NC;QSOADBLIJCFWNB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82780;MM82780;C=CC(=NC)N(C)NC;ACRLNYSFCRCFDS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82781;MM82781;CNCCC(OC)OC;FRNBQLDGXCGOTH-UHFFFAOYSA-N;133.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82782;MM82782;C#CC(C)(CO)CC(C)N;FUQINCDFDXWXJN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82783;MM82783;C=C(C)CC(NC)C(C)O;VXTSUONEPDBTKS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82784;MM82784;CC(N)C(C)C(C)(C)O;YTILFGKZBYFYIU-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82785;MM82785;CCN(C=N)C=COC;PZKVHUHAJZUKCT-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82786;MM82786;C=C(C#N)C(=O)N(C)C=O;YIAUFDJHHLHQGD-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82787;MM82787;C=CN(C)C(=O)C(=O)C#N;KCZLQTHRNZVNTQ-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82788;MM82788;CC(F)=CC(C)(N)CCN;PVNJTWALPYSDSA-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82789;MM82789;CN(C=O)C(=O)C(=O)C#N;UNQDSGCDQYKVQY-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82790;MM82790;C=CN(O)C(=O)C(=C)C#N;WBFTXLWAIPXQAD-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82791;MM82791;C=CC(=C)C(=O)N(O)C=N;GGOJHUCBOZOPCQ-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82792;MM82792;CC(F)CC(C)(N)C(C)N;ZELGPLOHWNDOLY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82793;MM82793;C=CC(C)(N)CC(F)CN;IBYADBPNMGDBFL-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82794;MM82794;CC(=CC(C)(C)CN)CN;PRUFRBXISAALTD-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82795;MM82795;C#CC(=O)C(=C)C(O)C=O;URUUVUPYYOBTOM-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82796;MM82796;C#CC(=O)C(=C)C(O)C#N;CIJQWIBDIMHXDB-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15657;MM15657;C#CC(=O)C(=C)C(F)C=O;AQYXQGXRGPPZIO-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82797;MM82797;C#CC(=C)C(=O)C(O)C=O;FDVWPRQJDQBHPE-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82798;MM82798;C#CC(=O)C(=O)C(O)C=O;SILRQBOQAFADGB-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82799;MM82799;C#CC(=O)C(=C)N(C)C=O;ODMQBIAWELPITL-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82800;MM82800;C=CC(N)(CF)CC(C)N;FEAUILXVWHTSPM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82801;MM82801;CC(C)(N)COC=CCN;KEZKUQPGFIGPCN-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82802;MM82802;C=C(C)C(C)C(CO)NC;NWOPYPNJRMDBKN-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82803;MM82803;C#CC(=C)C(=C)N(O)C=O;RGQJQYWYVKKHSW-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82804;MM82804;C=CC(C(C)O)C(N)CC;KGXZWTIFMFLSLQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82805;MM82805;CC(C)(CN)NCCCF;RISLYHAKWZHJLJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82806;MM82806;C#CC(F)(CCN)COC;NZLCVVXGYJDBPL-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82807;MM82807;C=CC(CNC)C(C)O;UJAOYHIALHIOGG-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82808;MM82808;C#CC(=C)CN(N)C(C)=N;QGDBQPAEGWUGHT-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82809;MM82809;C=C(CN)CC(=C)C(C)N;ZIFDGOLZLQJQAL-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82810;MM82810;C=C(CCN(C)C)CNC;ZAVFZWNNTOYERK-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82811;MM82811;CC=CC(CNC)C(C)O;ALTQYVVBVOYBSK-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82812;MM82812;CCC(C(C)N)C(C)O;DRLZBZBQOICVFN-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82813;MM82813;C=CCC(N)C(C)C(C)O;AZMZBEPWBMGRMF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82814;MM82814;C=C(CN)CC=CC(C)N;PVTMMRJRQXUPRY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82815;MM82815;C#CC(=O)C(=O)N(C)C=O;PRQBYDQOWRZLMI-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82816;MM82816;CC(=CCNC(C)C)CN;GHHATJYVRWRNAJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82817;MM82817;C#CC(=C)C(=O)N(O)C=C;CDJLBRAREHYODU-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82818;MM82818;C#CC(=C)C(=O)N(O)C=N;PASDZEMXELKIGH-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82819;MM82819;C=C(CN)CC(=C)CNC;XCBUSJUVTACXSA-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82820;MM82820;C=C(C)CC(CO)C(C)N;JOQYDXRFUIQAGH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82821;MM82821;CCCC(N)C=C(C)CN;XQOWPEFJSQQGIU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82822;MM82822;CC(F)CC(CO)C(C)N;XWEDGKOMYLHFKK-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82823;MM82823;CNN=C(N)C=O;TZJLJWOINVWCGA-UHFFFAOYSA-N;101.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82824;MM82824;C#CC(O)C(=O)C(=C)CF;ZHCVFIOLGOFPDX-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82825;MM82825;C#CC(F)C(=O)C(=C)CO;JKWOIENHFXNFSL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82826;MM82826;C=C(C)CC(N)C(C)CO;BNXFXEYHCPLMPO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82827;MM82827;C=NNC(=NN)OC=NN;HIBNDZLRIWVZKO-UHFFFAOYSA-N;144.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82828;MM82828;C#CC(C)C(=O)C(=O)NC;WIECCOVEKKPNRT-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82829;MM82829;C=CC(C)C(N)CC(C)O;SAGNFWFHRQGPJU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82830;MM82830;CCNC(C)C=C(C)CN;YTPJSJYAVWLCPC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82831;MM82831;C#CC(O)C(=O)C(=O)OC;PJWULMHQLUNOGC-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82832;MM82832;C#CC(O)C(=C)C(=O)C=O;LIUGFZPYQYEUBI-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82833;MM82833;C#CC(O)C(=C)C(=O)C#N;XFXVTVCEHSHBRN-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82834;MM82834;C#CC(O)C(=O)C(=C)C=O;FLABPEBTEMIDHZ-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82835;MM82835;C#CC(O)C(=O)C(=O)C=C;JOWZRUOCHQYYBA-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82836;MM82836;C#CC(O)C(=O)C(=O)C=O;YWBOWLGHSYNUBG-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15990;MM15990;C#CC(F)C(=O)C(=O)C#N;GJTOMKDOJMDPRM-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82837;MM82837;C#CC(=O)C(=C)C(O)C#C;PKSFBLPUGKSEDT-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82838;MM82838;C#CC(=C)C(=O)C(O)C#C;GOAGJQMMTYUAHK-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82839;MM82839;C#CC(=O)C(=O)C(O)C#C;ULMFMZADMSZZLW-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82840;MM82840;C=NN(C)C(C)CC(C)N;XXCNQHAPGYBPQA-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82841;MM82841;C#CCOC(=NN)NN=C;BRTVBZCHLWDQSD-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82842;MM82842;CC=NNC(=NN)OC;JGCYTZMLCWWIBI-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82843;MM82843;C=C(CC)C(=O)C(=O)CO;RGNYZGKWSLOXEY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82844;MM82844;C=CC(=CC#N)NC(=N)N;HEPJQMMCQLOWHA-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82845;MM82845;COCC(=O)C=CN=CN;SHJZLFZAWXUYRI-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82846;MM82846;CC(=COCC#N)NC=N;ZUOQROALVWNNSU-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82847;MM82847;C=C(CO)C(=C)C(=O)C=O;ZFVHNWXUGDVPDY-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82848;MM82848;C=C(C#N)C(=C)C(=O)CO;GPSSNCAZPMXNJJ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82849;MM82849;C=C(C(=O)C#N)C(=O)CO;IVNKUIVGXXYXGZ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82850;MM82850;C=C(C#N)C(=O)C(=C)CO;UGGPDMJQOFJOMM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82851;MM82851;C=C(CO)C(=O)C(=O)C#N;MSMARNQPZLJTMH-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82852;MM82852;C=NN=C(C)C=NN;XSWOTPRQBSRRTO-UHFFFAOYSA-N;112.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82853;MM82853;C=CC(=O)C(=C)C(N)=NO;NPNOFUYMEXUKIG-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82854;MM82854;C=C(C(=O)C#N)C(N)=NO;RIPKAWRHEYZUQA-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82855;MM82855;C=C(C(=O)C#N)C(=O)NC;QRHCHUPIUGVRMF-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82856;MM82856;C=C(C#N)C(=O)C(N)=NO;OXLPTCMYFUFMKA-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82857;MM82857;C=C(C#N)C(=O)C(=O)NC;UMAGHNNQAHNINU-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82858;MM82858;C=C(OC)C(=O)C(=O)C#N;CEABMEALTTVRJC-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82859;MM82859;C#CC(=O)C(=O)C(=C)CO;IWZFCCUVZAUITD-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82860;MM82860;CNN=CC(C#N)C(C)F;XHMVHCKYJFNITM-UHFFFAOYSA-N;143.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82861;MM82861;C#CC(=O)C(=C)C(N)=NO;IJVKCWFMTVNXRF-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82862;MM82862;CC(O)CCC(N)CCF;OBRFMKZIQUCHFP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82863;MM82863;C#CC(=C)C(=C)C(=O)NO;TYFLADVYBDTPNP-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82864;MM82864;C#CC(=O)C(=C)C(=O)NC;VYPQRQIHCWTHNN-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82865;MM82865;CNCC(C)N(C)CC#N;YGWRBTIALDOQBD-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82866;MM82866;C#CC(=C)C(=O)C(N)=NO;XVQLIXMESPTEPB-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82867;MM82867;NCCC(F)=C(F)CCO;WVFVZKBIDAYCNP-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82868;MM82868;C#CC(=C)C(=O)C(=O)NC;ZIALGFNAJXRWNV-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82869;MM82869;C#CC(=O)C(=C)C(=O)OC;PNNIXVPTHFPDMQ-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82870;MM82870;C=C(C(=O)C#N)C(=O)C#N;PSGVXKGOHMAPTA-UHFFFAOYSA-N;134.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82871;MM82871;C=C(C=O)C(=O)C(=O)C#N;XSELOZPXICAJOL-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82872;MM82872;N#CC(=O)C(=O)C(=O)C#N;MMTHOVUWUJNAIL-UHFFFAOYSA-N;136.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82873;MM82873;C#CC(=O)C(=C)C(=O)C#N;FYICTWILCMWBBQ-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82874;MM82874;C#CC(=O)C(=O)C(=O)C#N;SMDDBUHNLGJCTE-UHFFFAOYSA-N;135.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82875;MM82875;C#CC(=O)C(=C)C(=O)C#C;HDAHNRQUTQOWBF-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82876;MM82876;C#CC(=O)C(=O)C(=O)C#C;RHUUGOQZMWUVRD-UHFFFAOYSA-N;134.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82877;MM82877;N#CC=C(CCO)NC=N;PBWWHMOEHDOYGI-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82878;MM82878;C=CC(NC)C(C)C(C)C;HQZBNTIFWTZSMA-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82879;MM82879;CCC(CN)=C(C)C(C)N;BBRNFFNNNGODRD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82880;MM82880;C=C(CC=CCN)C(C)N;MJDHOWNCZCYYHS-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82881;MM82881;CCNN=CC(C)C(C)N;MVMDDTABZAIBDE-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82882;MM82882;CC(N)CC#CCCO;DATZFIDCAZOSCV-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82883;MM82883;C=CCN=CN(C)C(C)=N;ZDJQLPSEUUDEDA-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82884;MM82884;C=COC(=C)C(=N)N(C)N;KYEUBZYRERGLFY-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82885;MM82885;CC=C(C)C(O)C(O)C=O;BDIPHHOKRSDGMD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82886;MM82886;CC=C(C)C(O)C(O)C#N;WXDVRIRXFJNVFR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82887;MM82887;C#CC=C(C)C(=N)N(C)N;WEHYUFQJRLYPNI-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82888;MM82888;CCC(=CC(N)CC)CN;LUPQEGHYKWNGJA-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82889;MM82889;C=CC(N)C(C)C(=C)CN;CGYTWTRDKBUHSF-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82890;MM82890;CC=C(NC(=O)NN)OC;MGUZNWVOXNILAY-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82891;MM82891;C#CCCN(C=N)CC=O;QXNDISJPVNJYDX-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82892;MM82892;NCC=CC(N)CCCF;ZOFWRRSBYRIXOD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82893;MM82893;CC=C(C)C(O)C(=O)CO;PNMIOFJXSJHBCQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82894;MM82894;C=CCCC(N)C=CCN;VZGDUELIOMIWFF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82895;MM82895;CCN(C=CF)C(=O)NN;ZWAGVDJIQAAICX-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82896;MM82896;C#CC(=C)CCNCCN;RATYACDDCSOEPN-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82897;MM82897;C#CC(=C)NC(=NN)NC;HMCNSCFIMHTTHI-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82898;MM82898;CC(C)C(=NN)N(C)C;SFXHLJZHYRGNNO-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82899;MM82899;CCCONC(=N)NN;PFNOQFOZSBJOMC-UHFFFAOYSA-N;132.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82900;MM82900;N#CC=CN=C(N)NC=N;IEBKTKADLJEWSB-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82901;MM82901;N=CNC(N)=C(F)C=O;DWKMBQLXCGDYGY-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82902;MM82902;C#CC(=C)N(C)C(=O)NN;CBEIGYDDJUCPOG-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82903;MM82903;CC=C(C)N(N)C(=O)NO;FOYBLIFDJZIFOB-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82904;MM82904;CC#CC(O)C(C)=NN;AVSKNPLEKOOQEY-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82905;MM82905;CC=C(C)N(O)C(=O)NN;FQAPQZFCSXLOFW-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82906;MM82906;C=NOC(OC)C(C)CN;FADZSNKEWIPQER-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82907;MM82907;CC(=NO)C(C)C(=O)C#N;BQIAGEZZHGOBOM-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82908;MM82908;CC=C(F)C(CN)CNC;RKYOENLTEOFGQV-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82909;MM82909;CCOCC(CN)COC;GSKONWNFMPFOSH-UHFFFAOYSA-N;147.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82910;MM82910;C=C(N=CNN)NC(C)=N;WZIGRVDLOFJXKZ-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82911;MM82911;CC(CCCN)=NO;DEPFTHPVOFPMTN-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82912;MM82912;C=C(NC=O)C(=NC)NN;UFNVKQXTIIPOED-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82913;MM82913;C#CC(=O)N(C)C(C)=NO;LZVYELVXMFAPGD-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82914;MM82914;C=COCC(CN)COC;SZGIVXLLKBBUNM-UHFFFAOYSA-N;145.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82915;MM82915;C=CC(O)C(C)(N)CC;SQGWQANVRWWRDW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82916;MM82916;C=COC(CCNC)OC;QJCYWSDFVSMVLH-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82917;MM82917;C=NOC(CCNC)OC;PWSWTXYCPRQQEC-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82918;MM82918;CC(F)=C(C)CNNC=O;YRSMRVFPCDQDEW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82919;MM82919;C=C(C(C)=CF)C(O)CO;RZFGNJZJPSTKIS-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82920;MM82920;C=CCN(C=C)C(=O)NN;DVZKUUVLYYBFRL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82921;MM82921;COC(C)C(=O)C(C)=NO;XXQYUJUJWYFXTF-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82922;MM82922;C=C(C)N(C)C(=O)NN;RNSRSLLLUUPYLX-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82923;MM82923;CC=C(C)C(=O)C(O)C=O;GONLFZFSMQNBKN-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82924;MM82924;C=C(C(C)=NO)C(O)C#N;PUVAHQATOXXPCJ-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82925;MM82925;C#CC(CCCF)NC=N;ZQAPURWBEHDEFS-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82926;MM82926;CCC(=CCNC)CNC;JCDBFAVAQWJZAM-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82927;MM82927;CNC(C)CC(O)CF;NKGGOMGWLVHTPV-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82928;MM82928;CC=C(C)C(=N)N(O)C=O;QUTRGNXSKJSNDR-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82929;MM82929;C=CN(C)C(=O)C(C)=CN;VHHLXYLSHXHEEM-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82930;MM82930;C#CC(=CCC#N)NC=N;DMQDKGAJONFXPI-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82931;MM82931;CC=CN(C)C(=O)NN;WSAIGXSXPACYEM-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82932;MM82932;C=CN(C)C(=O)C(C)=NO;LDCXSLSFVYKNAI-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82933;MM82933;C#CC(=O)C(=C)C(C)=NO;LIDSAFWPSWTELR-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82934;MM82934;C=CC(C)N(NC)C(C)=N;MOOHTKGRWREUBI-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82935;MM82935;CCC(=C(C)CN)C(C)N;XZJCYLXWPMNLGP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82936;MM82936;C=CC(CNN=C)C(C)N;UVGTWFADFZAYGJ-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82937;MM82937;C=C(CC)N(C)C(=O)NN;LGBQNANCSMHMKO-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82938;MM82938;C=C(C)C(=CNC=N)OC;CMDXNAWHGUGELD-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82939;MM82939;C#CC(CN)C(C)NCC;FGGDZAYAIJBBFS-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82940;MM82940;CC(CF)=C(C)C(O)CO;LGTPVMMITCPXSN-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82941;MM82941;C=C(F)CCN;JMEHTIOUWMKPJQ-UHFFFAOYSA-N;89.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82942;MM82942;CCCC(O)(CC)CNC;RGSDWCOTWYWVJW-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82943;MM82943;COC(C)=C(C)C(O)CF;JQRDLEBOJRAZHT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82944;MM82944;CC1C(C)C1N;FJUWTTDYFTWJLY-UHFFFAOYSA-N;85.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82945;MM82945;C#CC(F)CCN;KBMDPWBCGACARA-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82946;MM82946;C=CC(=N)NC=N;GXKRPYGRDJADEL-UHFFFAOYSA-N;97.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82947;MM82947;CC(C=O)=C(C)C(O)CF;UOCCYCODRLZDIT-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82948;MM82948;CCC(O)C(N)=C(F)C#N;MFPSBMCLPVGHPO-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82949;MM82949;CCC(O)(CC)CNC;GAPGLSASPDQDGH-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82950;MM82950;CC=C(F)CCN;VVMWCHTVCUJFRA-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82951;MM82951;CNCC(C)(C)C=O;ITRWKPWUXCSBTI-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82952;MM82952;C=NNCCC(C)N;PWBYLIHUWYBREM-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82953;MM82953;CC(N)CC#CCN;UWYKPZCTLZOSGA-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82954;MM82954;C=COC(=C)CCN;FNCDUKWYBUZZJV-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82955;MM82955;C=C(CCN)OC=O;TUHNPZXVZNJQNY-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82956;MM82956;CNCC(C)(O)C(C)C;DDAVIVPVSOBVLW-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82957;MM82957;C=C(F)CC(C)(O)CNC;QXYXRUMPRATMJJ-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82958;MM82958;C#CC(C)=C(C)C(O)CO;VHJBOXCJFQTIKV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82959;MM82959;CNCC(C)C=NN;CBJSENHSSISMGL-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82960;MM82960;NCCC(F)=CCF;KRJYPCVVAVBCQX-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82961;MM82961;CNCC(C)N(C)C;SOIRNMUAUJFUMN-UHFFFAOYSA-N;116.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82962;MM82962;C=CC(O)C(C)=C(C)C=O;SDOIDAOPMILSLI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82963;MM82963;CC(C#N)=C(C)C(O)C=O;CJCHZMNNKLCWFH-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82964;MM82964;CC(C#N)=C(C)C(O)C#N;DUFBZMOMSHLTFF-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82965;MM82965;CC(C=O)C(N)=C(F)C=O;KCBQGTKOGGEPMF-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82966;MM82966;CC(C=O)=C(N)C(O)C#N;JXGDEKSUSWPIQD-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82967;MM82967;CC(C#N)=C(N)C(O)C#N;QAYHSUIBARIECF-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82968;MM82968;C#CC=C(NC=N)C(C)O;SVVAIKFETABZMW-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82969;MM82969;CC(C)=C(F)CCN;QCQKXTYCIRMHRP-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82970;MM82970;CC(C#N)=C(F)C(O)C#N;YNTQEKTUTKMJJX-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82971;MM82971;N#CC(F)=C(F)C(O)C#N;NEVQKXVFEDWMMF-UHFFFAOYSA-N;144.08;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82972;MM82972;C#CC(=N)NCC=C;GHJBWSAACAJHKH-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82973;MM82973;C#CC(CC)NC=N;SFSYPQDBQQCFCQ-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82974;MM82974;COC(=CF)CCN;KTWXQXOHGALTQJ-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82975;MM82975;CC(C#N)=C(N)N(O)C=O;MHPIGKLZOOFYDV-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82976;MM82976;CC(=N)NC(C)(C)C#N;KHGGZXBMWNCXHR-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82977;MM82977;CC(C)(N)C(N)CCF;XVVWIZZOMWZYSP-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82978;MM82978;C#CC(O)C(C)=C(C)CO;SCKNXCUJBOIUGM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82979;MM82979;C=CCC(C)(N)C(C)O;OHUOQBLNXMAJLJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82980;MM82980;C=C(CCN)OC(C)=O;XXPCJIYTNVZIRG-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82981;MM82981;CC=CN(CC)C(=O)NN;CGTGQEVAIOCNIY-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82982;MM82982;C#CC(C)(CCN)OC;VODNBRVNEFDKRS-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82983;MM82983;C#CC(O)C(F)=C(F)C=O;DMUFWUVZWVLFGA-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15267;MM15267;C#CC(F)=C(F)C(O)C#C;QIKLLGXGHSBAQL-UHFFFAOYSA-N;142.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82984;MM82984;CCC(N)C=C(C)CN;LLQFWVBCSPCKQW-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82985;MM82985;C=NNC(CO)=NOC=O;SODRNWXNVYWHLI-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82986;MM82986;CCC(=O)C(C)=C(N)OC;DKQQUNHLOFWZRT-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82987;MM82987;C=C(C)CNCCCN;QLFIIADRLVPWPJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82988;MM82988;CC(O)C(C)(C)N;RICKMFQXMYMBNY-UHFFFAOYSA-N;103.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82989;MM82989;C=CCC(N)(CC)CO;FPKUAIOLRNEGEW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82990;MM82990;CC(C(=O)CF)=C(N)C#N;OPNIEXZHNMLFOC-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82991;MM82991;CC(C#N)=C(F)C(=O)CO;NCASHXUCNOPSBJ-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82992;MM82992;CCC(=O)C(F)=C(N)C=O;AKLASJAJFITLTD-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82993;MM82993;CCC(N)(CO)CC=CF;YRBIMLSDUGCTCJ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82994;MM82994;CCC(C)(N)CO;QHKGDMNPQAZMKD-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82995;MM82995;CC(C)NCC(O)CCF;AYACILSBMFWRBL-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82996;MM82996;C=CC(=CC)NC(=N)NO;RXZIXKJYAXSUMG-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82997;MM82997;CC(C(=O)NO)=C(N)C#N;RMBVOGVIECOEMW-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01774;MM01774;CNC(=O)C(C)=C(F)C#N;LZNJTZODVFONGO-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82998;MM82998;CC=NNCCC(C)N;ISEPXJFUIFIKKA-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM82999;MM82999;CC(N)C(C)C(O)CCF;UDVJUZPOBVIXFD-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83000;MM83000;CC=CC(=N)NCC#N;LTKHESSEFBKHRM-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83001;MM83001;CC(C)(O)C=C(F)CCN;WFSLUMWSUHDZFV-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83002;MM83002;CNC(=O)C(N)=C(C)C#N;BDYAWKVLZRJQDF-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83003;MM83003;CCCC(N)C=CCN;QQSYBWYNYSCYNH-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83004;MM83004;COC(=O)C(C)=C(N)C#N;ZRIVMQNVXNLUPA-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83005;MM83005;COC(=O)C(N)=C(C)C#N;VKCJDRJUCLCFIP-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83006;MM83006;C#CC(F)=C(C)C(=O)CO;RHHADYPDXAMNOU-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83007;MM83007;CNCC(C)C=NNC;LRNZAFUBBVXQHC-UHFFFAOYSA-N;129.21;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83008;MM83008;CNC(=N)NN=CCO;UBVNFGFMSFYYBI-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83009;MM83009;CNCC(C)C=NOC;HBLSSKGKAVCHCT-UHFFFAOYSA-N;130.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83010;MM83010;C#CC(N)=C(C)C(=O)OC;XLZZEQVZDDQLDR-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83011;MM83011;CC(CO)=C(C)C(=O)C=O;RMXLYTBXAMZDEM-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83012;MM83012;CNC(N)=C(C)C(=O)C#N;DJSJZIQJNBBTDT-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83013;MM83013;C=CC(=O)C(C)=C(N)OC;SBPNVQNXWAWMNR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83014;MM83014;C=CC(=O)C(C)=C(N)C=O;UYOGKRDMSKSEKR-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83015;MM83015;C=CC(N)=C(C)C(=O)C=O;DGTMQCZMLIBTKC-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83016;MM83016;C=CC(N)=C(C)C(=O)C#N;FEYHHEJRWMNXAW-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83017;MM83017;CC(C(=O)C=O)=C(N)C#N;RWAGVVMKBYIEGM-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83018;MM83018;CC(C(=O)C#N)=C(N)C=O;UWUGMEIAUGBWAI-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83019;MM83019;CC(C(=O)C#N)=C(N)C#N;DUNLRGYDZGHPBA-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83020;MM83020;CC(C#N)=C(N)C(=O)C#N;IOUCQEGTVJRAJM-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83021;MM83021;C=CC(=O)C(N)=C(N)C=O;ZMQXLCATTVZHCB-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83022;MM83022;N#CC(N)=C(N)C(=O)C=O;MSJPHVDIJNOFRR-UHFFFAOYSA-N;139.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83023;MM83023;N#CC(=O)C(N)=C(N)C#N;KTSBSRZOTJMVHA-UHFFFAOYSA-N;136.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83024;MM83024;N#CC(=O)C(N)=C(F)C#N;WRZZFCKNMWXXLN-UHFFFAOYSA-N;139.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83025;MM83025;N#CC(N)=C(F)C(=O)C=O;HNGPOCYSWTYSCE-UHFFFAOYSA-N;142.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83026;MM83026;C#CC(N)=C(F)C(=O)C#N;OKMSYULKSWTDGL-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83027;MM83027;C#CC(=O)C(F)=C(N)NC;RQCFARXEYBNJQN-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83028;MM83028;C#CC(=O)C(C)=C(N)OC;IBZCIOGXECIOPQ-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83029;MM83029;C#CC(=O)C(C)=C(N)C#N;UZXOWLDIVSPOCK-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83030;MM83030;C#CC(CC(C)N)C(C)O;JEEAKGBRJNFVCL-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83031;MM83031;C#CC(=O)C(N)=C(N)C=O;YSYFTCOVQUNDIM-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83032;MM83032;C#CC(=O)C(N)=C(N)C#N;LYVIHLZCZFILMU-UHFFFAOYSA-N;135.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83033;MM83033;C#CC(=O)C(N)=C(F)C#N;GTDUQSFSPFPKFW-UHFFFAOYSA-N;138.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83034;MM83034;C#CC(=O)C(C)=C(N)C#C;UKYQDFSAYUSDOO-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83035;MM83035;C#CC(=O)C(F)=C(N)C#C;PQURNRZMWDMTIN-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83036;MM83036;CC(=NO)C(C)=C(C)C=O;RYFZUUFEJXYTNX-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83037;MM83037;CC(=NO)C(N)=C(F)C#N;YEGFJDFVWQECKG-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83038;MM83038;C=NN=CC(C)CNC;HVPHUPWINUZMRU-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83039;MM83039;NCCC(F)=CCCF;YTYPYECNSHUTDM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83040;MM83040;CNCC=C(C)CNC;VMLHFWRKQPZNKE-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83041;MM83041;CCCNCC(C)NC;LWKLIZBZKBSZFR-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83042;MM83042;CCN=C(C)N(C)NC;NYIDXSSHEIAZDI-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83043;MM83043;NN=CC(F)CO;UVRHMXUAYKNVEE-UHFFFAOYSA-N;106.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83044;MM83044;COC=C(C)N(C)C=N;PEZHAHYDSFLDQQ-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83045;MM83045;C=CC(O)CCOC=NN;WXTDSSCAMBAKSU-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83046;MM83046;CC=C(CCN)OC=O;KAEMZQCBDBZGFN-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83047;MM83047;C=C(F)C(=NNC)NO;YMVNKMZSWAYLEC-UHFFFAOYSA-N;133.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83048;MM83048;COCCC(O)CCCO;NAKDWUSKKPLCDJ-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83049;MM83049;C=COC(=CF)CCN;XBKBQJNTFVZAIV-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83050;MM83050;COC=C(CCN)OC;NEZLZDZXDRZWLL-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83051;MM83051;C=C(F)C(CN)C(C)C;VWUACIFHYVSPPN-UHFFFAOYSA-N;131.19;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83052;MM83052;C=C(C=C(F)CCN)CO;XNNHBYRZJNSOOK-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83053;MM83053;CCOCC(O)CCCO;QTEJNUXNRFQNAO-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83054;MM83054;C=C(C)C(CN)C(C)F;RSGWMXJDEGNBBL-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83055;MM83055;CNN=CC(=O)C(=N)NO;QNDMDTRILCTUCF-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83056;MM83056;CC(=CF)C(CN)CF;ZEAWZUVAXJVKEX-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83057;MM83057;CCOCC(O)COCC;WIHIUTUAHOZVLE-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83058;MM83058;C=CNC=NCCOC;YEJBJMGMOHJYQS-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83059;MM83059;CC(=N)NC(=N)C=C(C)C;HUHAUPBPBIIRIX-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83060;MM83060;CNC(C)(C)C=C(C)CN;RIAMVYMFFVAOAG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83061;MM83061;C#CC(CN)C(C)(C)NC;WIHUBCLMFYWMIF-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83062;MM83062;C=CN(N)C(=O)NCCC;FDRQGIVUVUVWLP-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83063;MM83063;CC#CC(F)(CN)CCN;QJFAJJNZDWRJLA-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83064;MM83064;C=C(CN)CC(N)C(=C)C;UKLWAFNLEOOWKG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83065;MM83065;CC(CCCO)OCCO;CUTGFCPYJPBESM-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83066;MM83066;CN(C)C(=N)C=C(F)C=O;PRAYOHNEABLDGR-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83067;MM83067;C#CC(CO)CC(C)N;VHRWSWYUHGZEHU-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83068;MM83068;C#CC(C)CNCC(C)N;PAXDPZLFAFAWGJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83069;MM83069;CCOCC(C)OCOC;XGUSMOGOACFMIE-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83070;MM83070;CC(OCCO)OCCF;UYISTRQDVKPGIQ-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83071;MM83071;C#CC(=O)OC(=C)CCN;NRHNDOKNCGIJBE-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83072;MM83072;C=C(CO)CC(C)N;TYHMUTJCJQPNCS-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83073;MM83073;CC(N)C(C)C(C)O;QEZOEPOESWIINB-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83074;MM83074;N#CCCNC=NCCO;QFSVKJHFEZVKKT-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83075;MM83075;C=CC(C)C(=N)NC(C)=N;MDBMAFBEUSOHOV-UHFFFAOYSA-N;139.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83076;MM83076;CC(O)CNC(C)C;RNFDZDMIFOFNMC-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83077;MM83077;CC(CO)COC=NN;WLPDIULZWYLDCF-UHFFFAOYSA-N;132.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83078;MM83078;CC(N)CC(CF)N(C)C;MAZJLFBLYCRCGF-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83079;MM83079;C=C(F)C(CN)CC(C)F;IHXHBKSVCMSDMO-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83080;MM83080;C=CC(CO)C(N)CC;YBCSPUIXTXZYTF-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83081;MM83081;CC#CC(=N)NCCNC;LQKXVDTWPHNRKZ-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83082;MM83082;CCNN=CC(C)CNC;RMAHLIHBBKEUDN-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83083;MM83083;CC=NN=CC(C)CNC;ZZWWMKBBAJFUGG-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83084;MM83084;CCC(C)NCCO;YTVUVYDVQNALCM-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83085;MM83085;CNCC(C)C(C)=NOC;HRODPUQDGIDCCH-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83086;MM83086;C=NN=C(C)C(C)CNC;ZUQOKABTLFFQNR-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83087;MM83087;C=C(C)C(N)CC=CCN;DNBBFZPGZMTSKU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83088;MM83088;C=COCC(O)CCOC;VKZZKEGIQZQXDB-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83089;MM83089;COCCC(F)COC=O;LBRNNUFPRUKXKC-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83090;MM83090;CCC(N)CC(C)O;FQXRRPAWODYRLV-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83091;MM83091;CNC(C)CC(C)O;GJXMSASDQMEPIH-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83092;MM83092;C=C(CNC)C(=C)C(C)N;JNTPPYGLFXEHLG-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83093;MM83093;CC(F)=C(CCN)OC=O;OZVSVTKZKNZWOV-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83094;MM83094;CCOCC(O)CCC=O;DVVWFGDVXPMNFG-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83095;MM83095;CCOCC(O)CCC#N;HCFBHZFHTYDLQG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83096;MM83096;CCOCC(O)COC=O;XKPVWCXQRSMDNP-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83097;MM83097;C#CC(=C)CC(CN)NC;HHWOBVLVVSHONS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83098;MM83098;CCNCCC(C)O;WQQPHKWXRLDYER-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83099;MM83099;CCN(C(=N)N)C(N)=O;KDVFADBNYHQMOQ-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83100;MM83100;CC(CCCO)ONC=O;VPAGKSRZAZPKEO-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83101;MM83101;C=NN(CC)CCC(C)N;OZLPERZIXSWGMY-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83102;MM83102;C=CC(C)C(N)C=CCN;MTEUTCQBWGVSEB-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83103;MM83103;C=NN=CN(N)C(=N)NC;NWIUMDJWLABDFW-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83104;MM83104;CCCC(N)CCO;YZOKDOZIDBMHOK-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83105;MM83105;C=C(C#CC=O)N(C)C=N;SNCOPWLSXFYYFQ-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83106;MM83106;C=COCC(C)OCCO;FGJCOHZKQVFTCX-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83107;MM83107;C=CC(C)C(N)CCO;CLSOPKXCHZRRJE-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83108;MM83108;C=COCC(C)OCOC;QBVNHTWQKBSSNM-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83109;MM83109;C=C(CC)CNCCCN;MNLAMUOTNUUSSW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83110;MM83110;CC(OCC=O)OCCO;MVDDNAPBGVTYBM-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83111;MM83111;CC(OCC#N)OCCO;FTIBJTSITUNCQC-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83112;MM83112;NC(CCO)CCCCF;JDKGRKWUWMDZIP-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83113;MM83113;C=C(CC)C(CCN)NC;AMXNJTVBWQASHO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83114;MM83114;CC=C(C)C(CCN)NC;FBWDCYDSZXEJCV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83115;MM83115;C#CC(F)=C(CCN)OC;BKBULAMOECUSNZ-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83116;MM83116;C=CC(C=NN)CNCC;HIAPULNUFOAKPD-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83117;MM83117;C=COC=C(CCN)OC;OMHZKPSKGKYBML-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83118;MM83118;CNC(C)CCO;HNNZBZKURNBXOO-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83119;MM83119;N#CCCC(F)CCC#N;YDYWOLIKVMPHOS-UHFFFAOYSA-N;140.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83120;MM83120;C=CCCC(O)CNC=O;UFDAIPODMGFDEC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83121;MM83121;COC(=CNC=N)CC#N;HRYICKWDQXAGDT-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83122;MM83122;CCNCCCO;FBXBSCUQZWUZDD-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83123;MM83123;C=COCC(O)CCC#N;XDPGRKCPCUKORS-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83124;MM83124;CNC(=NNC(=N)N)NN;XNTAEDPYJFQTGG-UHFFFAOYSA-N;145.17;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83125;MM83125;C=COCC(F)CNC=O;FOMMMWTYEBSWCJ-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83126;MM83126;C=COCC(O)COC=C;ZZVYKBSGBYOZEG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83127;MM83127;C=CC(C(C)N)C(N)CF;PWQMCGYFKTZYHZ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83128;MM83128;C=NNC(=N)N(C)C(=C)C;CLBWMPPCTLTAPO-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83129;MM83129;C=CC(C(C)NC)N(C)C;UQFSRNYWERGXGB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83130;MM83130;C=CN(C)C(=N)NN=C;YIHKYNOOEQCTRG-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83131;MM83131;C#CC(C(C)N)C(N)CC;URFUVVUZEAMFPO-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83132;MM83132;C#CC(C=CCNC)CN;SFVQMYPNTHBJAL-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83133;MM83133;CC(CCC=O)ONC=O;VDVIHTHXGSXKJF-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83134;MM83134;CNCC(C)C(CF)=NN;MLFQNYSPNQFDJQ-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83135;MM83135;CC(CNC=O)OCC#N;XRSKZCRENAIQHM-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83136;MM83136;C=CN(OC)C(=N)NN;APGKSSAJBDXOKN-UHFFFAOYSA-N;130.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83137;MM83137;C#CCC(C)N;ATNZRYIKSXYJKY-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83138;MM83138;CC(OCC=O)OCC=O;BTGPFWAEBUOQSH-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83139;MM83139;CC(OCC#N)OCC=O;LIKXGZHPOLGPMP-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83140;MM83140;CC(OCC#N)OCC#N;SNBCUTVWDVXLIK-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83141;MM83141;C=CC(N)=NCC(C)=O;RZPNFLACXUQKBE-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83142;MM83142;NCC1CC1N;TYDMCEFWHAUBHG-UHFFFAOYSA-N;86.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83143;MM83143;CC(OCC#N)ONC=O;PPHSUNPXYPCDRW-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83144;MM83144;C=C(CCN)OC;VNSCIOYPARKRBK-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83145;MM83145;C=C(F)C(C)CN;BQJBIEMOGZBVGS-UHFFFAOYSA-N;103.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83146;MM83146;CC=CN(N)C(N)=O;PMJOTONFXDVORO-UHFFFAOYSA-N;115.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83147;MM83147;C#CCOC(C)OCC=O;QYMXTRHDZDICGW-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83148;MM83148;C#CCOC(C)OCC#N;XHSAKQIMDQESHV-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83149;MM83149;C#CCOC(C)OCC#C;MDGCPYRQURSYAE-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83150;MM83150;C=CC(CN)CF;FSYVRMMJDJOUBD-UHFFFAOYSA-N;103.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83151;MM83151;C#CCC(C=O)N(C)C=N;WJXVOXSWUNOCNP-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83152;MM83152;O=C(CCCO)CCCF;MWCIAEPBHLJMPX-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83153;MM83153;C=CC(C)(F)CCN;CKDHTCLAJDJXHN-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83154;MM83154;N#CCC(=N)N;NUPLLTDVHPEUQM-UHFFFAOYSA-N;83.09;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83155;MM83155;CC(CN)C(F)=CF;PSUVYBMRFSOGRI-UHFFFAOYSA-N;121.13;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83156;MM83156;COCCC(=O)CCOC;KPAJOFKZGBPVJO-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83157;MM83157;CC(F)C(CN)CN;QITDEIIJRXLTQZ-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83158;MM83158;C=CC(CN)C(C)F;SVOOJMFXIWAWNW-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83159;MM83159;CNC(=NN)NN(C)C=N;NFBXUAKPRIHUQF-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83160;MM83160;C=NOC(CCO)=NN;IWDFJMJYJZKEDR-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83161;MM83161;CCOCC(=O)CCCO;LCMXYTYPVKDSKC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83162;MM83162;CC(=CC(C)(C)N)CF;IXHKWRAYDMPQOP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83163;MM83163;CCON(CC)C(=N)NN;JVGFYEBGRVZICC-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83164;MM83164;C#CC(C)(N)CC(C)N;GMXLIYMKYYVEDL-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83165;MM83165;C=C(CCN)OC=NNC;MXLKSURPDACCPI-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83166;MM83166;CC(C)(N)C=CC=CF;AUCOOASRTUEUKL-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83167;MM83167;COC=NNCCC(C)N;PNMACQJNSBESJZ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83168;MM83168;CCOCC(=O)NOCC;WLESPQPHSVGQSO-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83169;MM83169;C=CCC(N)C(C)(C)N;QICXAUTWPCFJRS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83170;MM83170;C=C(CCOC)OCCO;QQJBGJIHSPRSGM-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83171;MM83171;COCCC(=O)OCCF;SAPNJKMGUHWNQO-UHFFFAOYSA-N;150.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83172;MM83172;C=C(COCC)OCCO;GIVKLVJFAIZMNF-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83173;MM83173;CCOCC(=O)OCCO;ORXBJQGKWZUJPB-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83174;MM83174;C=CCC(C)(N)C(C)N;KCJDETQKBHEDIF-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83175;MM83175;C#CC(=N)N=CNC(=N)N;YDIKTXYQCYHHPU-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83176;MM83176;CCCNC(=O)NCCO;DTICASROQKOLJF-UHFFFAOYSA-N;146.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83177;MM83177;C=CCC=CN(N)C(N)=O;QMIUYSBTBKWVBA-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83178;MM83178;CCC=CN(N)C(N)=O;VQXROVCOHZVVPX-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83179;MM83179;CNC(C)=C(C#N)CCO;NCZXHYWBQFTJJF-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83180;MM83180;CCONC(=O)NOCC;ZXKLNONIDSIJHS-UHFFFAOYSA-N;148.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83181;MM83181;CC(C)C=CN(N)C(N)=O;HZLSLUNOYMRNDT-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83182;MM83182;C=C(C)C(C)(N)CCF;BYJHMSADSPHDBJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83183;MM83183;CCCNC(=O)OCOC;YPKNMVCJYWNKBG-UHFFFAOYSA-N;147.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83184;MM83184;CCONC(=O)OCOC;WXDQTQVFIABGEW-UHFFFAOYSA-N;149.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83185;MM83185;C=C(C)C(C)(F)CCN;PPPXUPAHXYDYEH-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83186;MM83186;CCCOC(=O)OCCO;ZGSQMVQJVOJLJX-UHFFFAOYSA-N;148.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83187;MM83187;CCCC=CN(N)C(N)=O;KTYOAAVQLSCRRY-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83188;MM83188;C=CC(C)(N)C(C)CF;UTXUPBKXWBZDCC-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83189;MM83189;C=CC(C)(N)CC=CF;PDMZEJVAUYLZJW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83190;MM83190;C=CC(N)(CC)CCF;UBYZHULPLYXCTB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83191;MM83191;CNC(CF)CC(C)N;DDYRGSWEIWUENL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83192;MM83192;CC(N)CNCCCF;USLCYRNEEQVSHP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83193;MM83193;NN=COCCCCO;XBSHUAQZJDNPDD-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83194;MM83194;C#CC(=O)CON=C;KDMMRQBPPOYLQV-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83195;MM83195;C=C(CCN)OCCF;RRLLBTJCBXIMJP-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83196;MM83196;CC(C)(C#N)C(=N)N;JARWBIAYCVWXTK-UHFFFAOYSA-N;111.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83197;MM83197;CN(N)C(=N)C=C(N)N;XBKXYXWGOMHPHD-UHFFFAOYSA-N;129.17;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83198;MM83198;C#CC(OC=NN)ON=C;IWFAETQGTFVURI-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83199;MM83199;CCN=CNCC=NNC;GEMNBGNUNDYIOO-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83200;MM83200;C#CCOC(=C)CCN;YGKKHQMNRCUNFC-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83201;MM83201;CCCCC(=O)NNC=O;VIRGAGSLMLZICG-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83202;MM83202;COCCC(=O)NN=CN;ZFZUCZUJYXUOCV-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83203;MM83203;CCNCC(N)C=CF;OTXDCFKYWIBCHN-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83204;MM83204;CC(C)=C(F)C(C)CN;NVJBZOQAALIQRM-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83205;MM83205;C=CCCCN(N)C=N;SBDZXLQARNMTND-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83206;MM83206;CCOC(=NO)C(C)CN;YLMCOXQSJRCNFL-UHFFFAOYSA-N;146.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83207;MM83207;CCOCC(=O)NN=CN;ZPSGAAHVOJDFRK-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83208;MM83208;C=C(CCCO)OCC#N;HFBWJNCWIZEZHS-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83209;MM83209;CNCC(C)C(C)=NN;FDEZMTKJDUVKBR-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83210;MM83210;COCCC(=O)OCC#N;JSLFMVMMTGLNTD-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxoethyl 2-ethoxyacetate";MM02649;CCOCC(=O)OCC=O;KJMUUQWSJXYVQN-UHFFFAOYSA-N;146.14;-0.24;57000251;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83211;MM83211;C#CC(O)C#CC(=N)NC;MAGNISVBEPIXME-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83212;MM83212;C=CCCC(=O)NCCO;QNNPREOEKDAKHG-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83213;MM83213;CC(C)C(O)C#CC(=N)N;HTNVXICHIGMBEW-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83214;MM83214;CNCC(CF)COC;YHOSIBKLRWPWHG-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83215;MM83215;C#CC(O)CC(N)C(C)C;AUBOVDWWDUKMOK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83216;MM83216;CNN=CC(C=O)=NOC;ZVPPIPARQLIKCY-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83217;MM83217;CNC(=NOC=O)OC;PEUFSLLVHVPGAN-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83218;MM83218;CCONC(=O)CCC=O;YMIYGEQXUBKNAE-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83219;MM83219;CCONC(=O)CCC#N;GDBLAXCGUKBWRG-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83220;MM83220;C#CC(CCN)OCC;RPFVNJFHZMPJHN-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83221;MM83221;C=CN(C=N)C(=O)C=NN;QJJJGYXWYNXQOX-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83222;MM83222;C#CC(CCN)OC=C;AMGXNPZOBKUUDB-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83223;MM83223;C=CCNC(=O)NCCC;IXWZIIHZLGKQDO-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83224;MM83224;CCCNC(=O)NCC#N;FXWBSEIXDNOLCC-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83225;MM83225;N#CCNC(=O)NCCO;PXSQXGWOICNAEI-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83226;MM83226;C=CCNC(=O)NCCF;ZUGXEYWWDGDITP-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83227;MM83227;CNN=C(C)C(C)(O)CF;PUHRGJDZAYYTEF-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83228;MM83228;CCCNC(=O)NOC=O;GMVSEHFTCKUNNC-UHFFFAOYSA-N;146.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83229;MM83229;C=CC(NC)C(C)CN;CDLWEDSEJAHYEB-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83230;MM83230;CCONC(=O)NOC=O;XWYKXGWXSIOJHY-UHFFFAOYSA-N;148.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83231;MM83231;CNC(C)CC(C)(O)CF;LNWDLZIMEWMDAW-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83232;MM83232;C=CN(C=N)N(C)CC;AWKRFBVKYIIZNP-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83233;MM83233;CCCNC(=O)OCC#N;YLXUEGMBKXTQEZ-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83234;MM83234;CCN(C)C(=N)C#CCO;MMAVPWDHCHBTBI-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83235;MM83235;C=C(C)CC(C)(O)CNC;WQVKYXFIXBOTLG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83236;MM83236;NN=CC(F)CC#CCO;SZGUAEZVHOLLJU-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83237;MM83237;CNCC(C)(O)CC=CF;BBNTURPQKBIPRP-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83238;MM83238;C=CN(C=N)NCC#N;PAQJHGFOMQIFIX-UHFFFAOYSA-N;124.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83239;MM83239;COC=CC(CN)CF;OZYFIGWIMDYSQJ-UHFFFAOYSA-N;133.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83240;MM83240;CCONC(=O)OCC=O;CTVUXQZQRBZGSR-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83241;MM83241;CCONC(=O)OCC#N;ZAUPEJRYYSCKHN-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83242;MM83242;C=C(CCC#N)OCCO;XIZIKBPYBQXABJ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83243;MM83243;C=C(C)CNCC(C)(C)N;YVUZXVSNCHBYLE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83244;MM83244;COCOC(=O)CCC#N;QFHCPWWYHZFSLP-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83245;MM83245;C=C(C)CC(C)(N)C(C)N;YHTOKIOASICIJG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83246;MM83246;CNC(C)(CF)CC(C)N;MICZWUZMDYTFQU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83247;MM83247;C=NOCOCC(F)C=O;LIFPYHSOEBOAED-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83248;MM83248;C=COCC(=C)OCCO;UZYDQXWTCSZZPJ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83249;MM83249;C=COCC(=O)OCOC;HFNSINXOLFPLGH-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83250;MM83250;C#CC(C)(CC(C)N)NC;OUUNCILJFIFHGJ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83251;MM83251;CNN=CC(C)(F)CCN;PTEYDWVSRXPKCC-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83252;MM83252;C=CCNC(=O)OCCF;UVMOSOKNLIIQHN-UHFFFAOYSA-N;147.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83253;MM83253;N#CCNC(=O)OCCF;OJIGFINGMMGETB-UHFFFAOYSA-N;146.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83254;MM83254;CCNCC(N)C=C(C)F;WZDLWRDNNQZBOA-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83255;MM83255;COCOC(=O)NCC#N;OTRDONDNCFVBCK-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83256;MM83256;COC(C)(C)C(CN)CN;SYVBHJQMGSOHQY-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83257;MM83257;CCCOC(=O)ONC=O;HHNLCMZRXMQLCA-UHFFFAOYSA-N;147.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83258;MM83258;C=CCC(C)(O)CNC;GOYQHMXJXTUAJA-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83259;MM83259;C=CC(N)(CCC)CCF;DCWABCYBSPHXRA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83260;MM83260;CCC(N)(C=CF)CCN;MIQDGCVKDKEZOA-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83261;MM83261;CCCC(N)(CN)C(C)C;VIXAUZLYHLXUFR-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83262;MM83262;C#CC(=N)NC(=N)N(C)N;DWEYXYWPVQEKPO-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83263;MM83263;CC(N)CC=C(F)C(=N)N;YLANFOWQQOTPPU-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83264;MM83264;CNC(C)CC#CC(C)N;OMAJGSCGENRBGW-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83265;MM83265;CC=CCC(C)(O)CNC;JMAPVNYJTOBYRV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83266;MM83266;C#CCNC(=O)NCCC;WQCLUAIWCJTHGR-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83267;MM83267;C=C(CCN)OC(C)OC;YQLLXIGNEXIFIP-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83268;MM83268;C=NNC=C(F)C(N)=O;CDSQJNDOKOECGE-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83269;MM83269;CCNC(CF)CC(C)N;FJFJOJQUZHYIOD-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83270;MM83270;C=CC(CCN)NC(C)C;ZQCTYLOTSSYGGA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83271;MM83271;C#CCNC(=O)OCCF;TULAQKFRHOGTTB-UHFFFAOYSA-N;145.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83272;MM83272;C#CC(CC(C)N)NCC;ZUVMVKXLLPIOSY-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83273;MM83273;C#CCOC(=O)OCCO;LMNANZURGQOTGJ-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83274;MM83274;C=CC(=CC(C)N)CNC;ZQSBYEANBGPKCX-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83275;MM83275;C=C(CCC#N)CNC=O;BMBHZVAAPSPVQB-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83276;MM83276;N=C(NN)NC(=CF)CO;JHTQGZISKDRLGI-UHFFFAOYSA-N;148.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83277;MM83277;C=CCCC(=O)COC=O;ZLODORJDJMZTPM-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83278;MM83278;N#CCCC(=O)COC=O;HPWSFSWHSBXWHI-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83279;MM83279;CCCNCC(N)COC;NLCUKKDDYQTGEE-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83280;MM83280;CC(N)C(C)C(C)(N)CO;XSXVVAJIJYICOJ-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83281;MM83281;C=CNC(=O)N(N)C=C;JOOSZSLDUCRMTQ-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83282;MM83282;CC(O)C(C)(C)OC=NN;QMHSHICGIRZINY-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83283;MM83283;CNN=C(C=CC#N)CO;CXEUUKPRUVWGDB-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83284;MM83284;CC=CN(N)C(=N)NO;SYYTWIBFNYDNCO-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83285;MM83285;CN(N)C(=N)NO;MSCNZJVMWGNKKY-UHFFFAOYSA-N;104.11;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83286;MM83286;N#CCNC(=O)CNC=O;IIDMXRDLMQQWTI-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83287;MM83287;C=NOCOC(=C)CCN;AKPMOVUGPJXSEA-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83288;MM83288;CN(C=O)C(=N)CC(N)=O;HLEHLRSCRNJHDB-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83289;MM83289;C=C(C)N(C)C=NCCN;KLLGRAUSJZXFDH-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83290;MM83290;C=NOCC(=O)NCC#N;XHMONLSHJGSNIT-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83291;MM83291;C=COCC(=O)NOC=O;USWHDTNDDZKYMF-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83292;MM83292;C=C(CCC#N)OCC=O;IQONVHGLYKIEAP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83293;MM83293;C=C(CCC#N)OCC#N;YGQHQRYGARSAQY-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83294;MM83294;N#CCCC(=O)OCC#N;FAOOTJWZECWSDL-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83295;MM83295;C=C(C)N(C=NC)CCN;MZNXZOOJVNGSOZ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83296;MM83296;N#CCCC(=O)ONC=O;HUIWLAAZDTUVMD-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83297;MM83297;CCC(C)C(N)(CC)CN;XVYAPFOXTUAEBU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83298;MM83298;C=C(CNC=O)OCC#N;JFVZGPSAVLBGKA-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83299;MM83299;CNCCC(C)(OC)OC;VAXLEYKWESSFES-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83300;MM83300;N#CCOC(=O)CNC=O;SAHHDTAZFMXHAR-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83301;MM83301;C=CC(C)CCN(N)C=N;JREODPBYNXYSRM-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83302;MM83302;C=COCC(=O)OCC#N;CHJZGOKXYFYXGK-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83303;MM83303;CCON=CCO;QJCBAXJJVRXAIF-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83304;MM83304;C=CC#CC(N)CCNC;AKLSOOQVWQXBSQ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83305;MM83305;CC(CF)C(C)NCCN;QSXRSKQZGXAIIN-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83306;MM83306;C=C(CF)C(N)CNCC;VSDBCRBNEWXGNC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83307;MM83307;C#CC(CNC)C(N)CC;BQZRRRVLEYJNKH-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83308;MM83308;C=CCNC(=O)NCC=C;QRWVOJLTHSRPOA-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83309;MM83309;C=CCNC(=O)NCC=O;LFRBYWBKMFSOLG-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83310;MM83310;N#CCNC(=O)NCC#N;JNMDCJCUBYYIRQ-UHFFFAOYSA-N;138.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83311;MM83311;CC(C)C(=N)NC(=N)NO;ISMCNJGNHQZOEJ-UHFFFAOYSA-N;144.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83312;MM83312;N#CCNC(=O)NOC=O;NLXYRZKGDNCRAX-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83313;MM83313;C=CC(C=NN)C(C)NC;YALUFOHBZBKKLK-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83314;MM83314;C=CC(CO)COC=NN;WASOIHRBEOOKFC-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83315;MM83315;CCC(CCF)NCCN;UFNBYLAXEKFHEK-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83316;MM83316;C=CCNC(=O)OCC=O;IUBOTQWJTOLYBC-UHFFFAOYSA-N;143.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83317;MM83317;C=CCN=C(NO)NC=C;DZDVKMWYUTYJGC-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83318;MM83318;C#CCOC(C#C)CCN;WTYBQUKSUPMWJQ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02494;MM02494;C=CCOC(=O)OCC=O;VFKZYRCHJDKFOK-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83319;MM83319;C=CCOC(=O)OCC#N;CHYCPLOZUIUZIX-UHFFFAOYSA-N;141.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83320;MM83320;CNC(=O)N(N)C=C(C)C;ZWIIWIMZKXHUMW-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83321;MM83321;C#CC(CCN)ON=CC;IPEVTUUBCBWUKK-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83322;MM83322;C#CCNC(=O)COC=C;CYGNCJNJEJTRMQ-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83323;MM83323;C=NN=CC(CC)CNC;YVTYXOLHOJCRKK-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83324;MM83324;CCC=CN(N)C(=O)NC;VZPSTXJFKOWYPZ-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83325;MM83325;C=CN(C=NCC)CCN;LVDBCMQPAMAZSU-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83326;MM83326;C=CC(=CCNC)C(C)N;VJTZDMHZAFNLJH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83327;MM83327;CCNC(C)C(C)O;IMLRFMHYTUWOSX-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83328;MM83328;C=CC(NC)C(CC)CN;QWCOKWYXDJTWKF-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83329;MM83329;C#CCNC(=O)NCC=C;RFMCVXSDTWQZLS-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83330;MM83330;C=CN(C=NCCN)CC;MLKGGNKDRPTRGI-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83331;MM83331;C#CCOC(=O)NCC=O;BORVDFNYXCBFOO-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83332;MM83332;C#CCOC(=O)NCC#N;OWHYFRQMLBKJSP-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83333;MM83333;CCCC(F)C(CN)CN;GPHCRRJUQLSZJP-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83334;MM83334;C=CC(CN)C(F)CCF;ISOCCMOEOWFPFE-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83335;MM83335;C#CCNC(=O)OCC=C;CPELOBVQNADEDB-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83336;MM83336;C#CCOC(=O)OCC=O;WIWZGEZNTCJISZ-UHFFFAOYSA-N;142.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83337;MM83337;C#CCOC(=O)OCC#N;MPRLWPOXNZAEDK-UHFFFAOYSA-N;139.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83338;MM83338;C#CCNC(=O)NCC#C;QEGCMBYMDKISGC-UHFFFAOYSA-N;136.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83339;MM83339;C=C(CCF)C(CN)CF;FAMUFORJBXTISI-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83340;MM83340;C=CC=CN(N)C(N)=O;GFQUKKIFQQLQDK-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83341;MM83341;CC(C)=CN(N)C(N)=O;NSXUPEURAYCTFD-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83342;MM83342;CCC(C)=CN(N)C(N)=O;UKQNCWFOIJZLRR-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83343;MM83343;CC(CO)=C(F)C(C)CN;OEJUNYNVMTWNMQ-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83344;MM83344;OCCCC(F)CC=NO;AFQWDTNMKIFSKN-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83345;MM83345;CC=C(CCN)OCCO;KOZALMWCVCXOBS-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83346;MM83346;CCC(=NN)C(C)CNC;UKMJLRMLIHNRAO-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83347;MM83347;C=CC(C)(C)N;RBRPAKDHMRWACJ-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83348;MM83348;CCNC(=CC#N)CCO;DCWXWBGGDPLIEP-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83349;MM83349;CCCNC(C)CO;RBDMEECWQBIBGN-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83350;MM83350;CC(OC=CF)OCCO;ANTCLPKJAFRNTE-UHFFFAOYSA-N;150.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83351;MM83351;CC(C)(F)CCN;PUAGMMGBTMAYQO-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83352;MM83352;CC(O)C=C(F)C(C)CN;RZPASGIQSQONRN-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83353;MM83353;CC(N)C(C)(C)N;MIKNSPXOIZYKIT-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83354;MM83354;CCCN(N)C=N;FKIRROQSHJUHMT-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83355;MM83355;C=C(C)N(N)C=N;GEEDVIKIFCVDJT-UHFFFAOYSA-N;99.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83356;MM83356;CC(CC=NO)CNC=O;HIYKFXYKGIELOO-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83357;MM83357;NCC(CN)CF;MLGYPSMVMFEFLH-UHFFFAOYSA-N;106.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83358;MM83358;C#CCC(CO)C(N)CC;RBNFUEAAYIEDKF-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83359;MM83359;CC(N)C(C)CO;PTQQVFJSDCETDR-UHFFFAOYSA-N;103.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83360;MM83360;COC(=CCO)CCN;XWPHBTJAESGWAW-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83361;MM83361;CCC(C)(F)CCN;UYLWOFQNDLVYRX-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83362;MM83362;CC=NOC(C=O)OC;BHDVFAQDYJPNBM-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83363;MM83363;C=NNCC(C)OC=NO;KTJPGKZHQSHSBT-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83364;MM83364;CC(OC=NO)OCC=O;DXPJFZHEHQVATO-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83365;MM83365;CC(OC=NO)OCC#N;AIZWRSRAEVYXDF-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83366;MM83366;CC(F)(CF)CCN;ISFQYBAPFBOXRF-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83367;MM83367;CNCC=CC(C)N;LYMLHUGEPITZDD-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83368;MM83368;CN(CC=NO)CCC#N;ZKLGMROITSKIJF-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83369;MM83369;NCCC(F)C=CF;NZOBELKRNFFIRL-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83370;MM83370;CCOC(=CCO)CCN;KGDIINCTYIYIPA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83371;MM83371;C=C(C)C(F)CCN;MJUSJZLOSXEKBY-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83372;MM83372;CCNN=C(N)C(C)=O;VPGYXOMZMZOSOU-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83373;MM83373;C#CCOC(C)OC=NO;ZIROHPPSDXABDP-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83374;MM83374;C=CC(N)CNCC;IZUIDJYHOADLKU-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83375;MM83375;CCCCN(N)C=N;TWFDSXXXAZLGGK-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83376;MM83376;CCOCC(=O)CC=NO;BMQKUIDVKHVKLC-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83377;MM83377;CCCCC(=O)NC=NO;CWBJBZRMIGIJGJ-UHFFFAOYSA-N;144.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83378;MM83378;CC(F)(C=CCO)CCN;OZFFBDFSUYXVBO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83379;MM83379;CC(=O)CN(C)N=CCF;JOEVLRBLKZNDSB-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83380;MM83380;COCC(C)(C)OC=NN;GESWCUBGBDAZEK-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83381;MM83381;CCCC(=NN)OC;WGBGBWOVAKZLCA-UHFFFAOYSA-N;116.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83382;MM83382;C#CCOCC(F)C=NN;QZGMOEKJZGBCRU-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83383;MM83383;C=CC(CN)COC;XWPJGRPHXCFJPF-UHFFFAOYSA-N;115.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83384;MM83384;CC(N)CC(C)(N)CF;BTEVQGHFKVCENY-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83385;MM83385;CCNC(C)(C)CNC;DNPDBQYZBLMLLA-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83386;MM83386;N=CN(C=O)N=CC=NN;MZYMTEZSFQXWSU-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83387;MM83387;CC(N)C(C)(C)C(C)N;GOYPXBRGYAEDDB-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83388;MM83388;C#CCN(C)C=NC(C)=O;DBOWPJQWKSWSTD-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83389;MM83389;COC(C)C=NNCC#N;XGRZMJMOTMPZSV-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83390;MM83390;CC(C)NCCN(C)C;QXPRMANJAMOFLQ-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83391;MM83391;C=CNC(=N)N(C)C(N)=O;BACMMQHZUSYLDG-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83392;MM83392;CCCNC(=O)CC=NO;JASPILGJYIDYEA-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83393;MM83393;CC(N)CC(N)C(C)F;DOKFLLMWYAIILG-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83394;MM83394;CCC(N)CCO;GMQNGMZJGKHTIA-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83395;MM83395;C=NNC(=N)NCCCO;CJKLQIOAXKVTBM-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83396;MM83396;NCC(C=CCO)CF;GVIGCWIHZKABJE-UHFFFAOYSA-N;133.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83397;MM83397;C=COCC=NNCC#N;QNZDRVNHDMAFQP-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83398;MM83398;C=CN(CC)C(=N)NN=C;IFWYYQCBJJLPMZ-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83399;MM83399;CC(O)C=CC(CN)CF;OLXNALLYIXJIFC-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83400;MM83400;CC=CNC(=O)NOCC;OYPPPCVIOQBVHF-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83401;MM83401;C=CC(C=O)C(CC)NC;CKRGKZSNVPWJKH-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83402;MM83402;N=CNN=C(N)N;UXRQORPVVWRVDO-UHFFFAOYSA-N;101.11;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83403;MM83403;C=NNC(C#N)CCC#N;ZMMCEQUYZCGYHJ-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83404;MM83404;C=CC=NNC(=N)N(C)C;JVBZSEBCSVXQDM-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83405;MM83405;C#CC=NNCC(=O)OC;LWMCXVYCVDIJCJ-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83406;MM83406;CC=NOC(=O)NOCC;QUPYWZPYIQJYJA-UHFFFAOYSA-N;146.15;0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83407;MM83407;CN=C(C#N)NC=CC#N;NXHJBSJQYRZGIP-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83408;MM83408;CNN=C(C)C(C)(O)C=O;UBFXZRDQUPCLAD-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83409;MM83409;C=C(C)N(N=CC)C(=N)N;GDJLDAASXUHFSN-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83410;MM83410;CCC(N)(CN)C(C)C;QUOKKEWLQUDMKR-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83411;MM83411;C=CNC(=N)C(=NN)NC;ZKDQNRHAOFFTGY-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83412;MM83412;CC(=NN)N(C)C;DHUNIARCLCYQGA-UHFFFAOYSA-N;101.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83413;MM83413;COC(C#N)=CC(=N)N;FHHMXNSYVBQMSC-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83414;MM83414;CCCOC(=O)NC=NO;QFZZORBCOWJCDV-UHFFFAOYSA-N;146.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83415;MM83415;CC=CNC(=O)OCOC;YLCYKNPTJDTFID-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83416;MM83416;CC(N)CCNCCF;ZHWIVBXTDZXDEO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83417;MM83417;CNCC#CCC(C)N;OEUMTNGURVQZRE-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83418;MM83418;CN(N)C(=O)C(O)CO;SGKSFTUKJKPJMB-UHFFFAOYSA-N;134.14;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83419;MM83419;CC=CC(N)CNCC;USIQMDYLAADTNJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83420;MM83420;C=C(CCN)OCC=NO;WJRULTKCUQWDAB-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83421;MM83421;CC=NNC(=O)OCCO;FONAIWJSMDMIKH-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83422;MM83422;NCC(C=CF)C=NO;SXJNGANGCFSUHO-UHFFFAOYSA-N;132.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83423;MM83423;C=C(C#CC=O)NC=N;GSWWVZDWWHOQJQ-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83424;MM83424;CCCOC(=O)OC=NO;DBNNMNOHRIRPRP-UHFFFAOYSA-N;147.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83425;MM83425;N#CCCC(=O)CC=NO;WLXJGMWGTHNCOP-UHFFFAOYSA-N;140.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83426;MM83426;CC=CCC(=O)CNC=O;IPQDCDKHEHAPMC-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83427;MM83427;C=CC(F)(C=NNC)CO;DUAXUFMGIZXBGT-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83428;MM83428;CC(C#CCO)=NN;UOXDCCJJUJWNRG-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83429;MM83429;C=NOCC#CC(N)=O;WQLXCXAUHMORQR-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83430;MM83430;CCNCC(C)=CCN;XNFRUMVBKZGWMQ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83431;MM83431;C=CN(O)C(=N)C=O;QCNFOAVDPRFWAZ-UHFFFAOYSA-N;114.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83432;MM83432;COC(CCN)=NO;LJXXUKYDVKCQFH-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83433;MM83433;CNCCC(F)=CC=NO;ZOIBXRFLCJQHGZ-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83434;MM83434;CC(CN)CCC=NO;RUDQPRBZFYQZGM-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83435;MM83435;CON(C)C(=N)N(C)N;NKZOOUVIVFAKIB-UHFFFAOYSA-N;132.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83436;MM83436;C#CCC(=NNC)C(C)O;MKOIQXRIVOZLNC-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83437;MM83437;C=C(C#CC)C(CO)=NN;PDDHRBZJKBTSCB-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83438;MM83438;C=C(C)C(N)CNCC;HGIUGOPTJHGNFH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83439;MM83439;CC(CO)=NN=CC=NN;YTXZOMNHPJIFOT-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83440;MM83440;CC(C=NO)=CCCN;UQVUYGPNPHKQDU-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83441;MM83441;C#CCC(CO)=NNC;SQXHPZILLICIOY-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83442;MM83442;CC(O)C=NN=CC=NN;CFBQWQUKCXOZIF-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83443;MM83443;C=C(CCC#N)OC=NO;FAMAVDJFPKKERR-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83444;MM83444;CNCC=C(C)C(C)N;LTOLVYGZHBCPRH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83445;MM83445;CC(=CC=NO)CCN;CYGVEKSVPQSJCO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83446;MM83446;C=NNCC(=O)OC=NO;XHNJGHNVDMJTDM-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83447;MM83447;N=CN(N)CCCCF;IYBFKRIUYXTVMN-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83448;MM83448;CC=NOC(=O)CNC=O;CTCXOAYWKTZSPG-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83449;MM83449;NCC(CF)CC#CCO;BBDVEVORGIYTQF-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83450;MM83450;CCNC(C)C(C)NC;LNDUGRWIXLQNSB-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83451;MM83451;C=C(OC=O)C(C)CN;UHRMZUUNEFESCG-UHFFFAOYSA-N;129.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83452;MM83452;CNC(C)C(N)C=CF;DBVVAUXCTUOXST-UHFFFAOYSA-N;132.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83453;MM83453;CC=CCC(=O)NNC=O;LMRIYMDLGAAAKW-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83454;MM83454;CCC(N)C(C)=CCN;GRQNKPAFLUYOAQ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83455;MM83455;CC=CNC(=O)NCC=O;GXDLVEALQFYNOE-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83456;MM83456;CC=CNC(=O)NCC#N;RHLUPUFXAAJYLJ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83457;MM83457;COCC(C=CF)CN;XXRAKNZDCNQJRL-UHFFFAOYSA-N;133.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83458;MM83458;C=C(F)C(=NNCC)NO;XQIFIUUNEPCOEU-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83459;MM83459;N#CCNC(=O)NC=NO;IFJBOZOHYUOOMO-UHFFFAOYSA-N;142.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83460;MM83460;C=C(C#CC=NN)C(N)=O;PBINEAFZZXAPBR-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83461;MM83461;CC=NNC(=O)NCC#N;IZDYZXUSZMVYKN-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83462;MM83462;C=CC=CN(N)C(=O)NC;GLDLCZVEVKGKJD-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83463;MM83463;CC(CN)C(F)C#CCO;HSOPQAFMLPWTEO-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83464;MM83464;CC=NNC(=O)NOC=O;CVEQHJUACURWQQ-UHFFFAOYSA-N;145.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83465;MM83465;C#CC(=CC#N)NCCO;KHNGSZPRCIPOMA-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83466;MM83466;N#CCNC(=N)OC=NO;SQSCROTWFYTKLG-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83467;MM83467;N#CCNC(=O)OC=NO;ZRGSARBYJWDCLK-UHFFFAOYSA-N;143.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83468;MM83468;C=CC(O)C(C=C)CNC;GLKGRDNDHUBBHY-UHFFFAOYSA-N;141.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83469;MM83469;C#CC=CCN(O)C(=N)N;SBAREIADEPRTFB-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83470;MM83470;CC=NOC(=O)NCC#N;FXWNZTGHUVMARV-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83471;MM83471;CNC(C)(C)C(C)O;XMVCOMWKOOCNKI-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83472;MM83472;CNC(CCF)C(C)N;YBWFUJJCVMHBIY-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83473;MM83473;CNCC(NC)C(C)C;GARRZTCFQVOIIS-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83474;MM83474;C=C(NC=NO)OCC#N;CQAPSRVTDHQEEO-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83475;MM83475;C#CC(C(C)C)C(C)N;QQOMRFRESKTIDO-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83476;MM83476;CCC(C)(CO)NC;FMNCPRRHOHJMAG-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83477;MM83477;CNNC(=N)NO;LQVQNWMQRAYHEF-UHFFFAOYSA-N;104.11;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83478;MM83478;C#CC=C(CO)N(C)C=N;ZKLGIEZLLYSVKP-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83479;MM83479;COC(C(=N)N)C(=N)NO;QCRSZYIVAHCKKT-UHFFFAOYSA-N;146.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83480;MM83480;CC=NNC(=O)OCC#N;OCLBKBQWRWUHTL-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83481;MM83481;CC=NNC(=N)ONC=O;BDTFUVBBBVWBBD-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83482;MM83482;CC(C)C(=N)NO;JHRDEHLFNLLCQS-UHFFFAOYSA-N;102.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83483;MM83483;CC=NNC(=O)ONC=O;SOQXYHYDAWNAJL-UHFFFAOYSA-N;145.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83484;MM83484;C=CCOC(=O)OC=NO;XVBKQADRUFBETM-UHFFFAOYSA-N;145.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83485;MM83485;C=CC(CN)C(C)OC;OSQRNGNVVMCPKK-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83486;MM83486;C=CC(CN)COC=O;GCISNZSXKZCJEI-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83487;MM83487;CC=NOC(=O)ONC=O;GHXKAJIRSBWGFD-UHFFFAOYSA-N;146.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83488;MM83488;CC(C)(C)C(=N)NO;CVOGFMYWFRFWEQ-UHFFFAOYSA-N;116.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83489;MM83489;C=CC(CN)CON=C;RWGYHLFKOIRFRW-UHFFFAOYSA-N;128.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83490;MM83490;C#CCNC(=O)NN=CC;RCWZVQHBRBXZFN-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83491;MM83491;CC(N)CC(C)(CO)CF;ZBZFDJZOHFVAQW-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83492;MM83492;C=C(CO)CC(N)CC;UKHQBNLUZBCRRB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83493;MM83493;C=CC(=CNC=N)OC;SGNWDKAYVKWXGY-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83494;MM83494;C#CCOC(=C)NC=NO;NMLBFVVSRGRKSV-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83495;MM83495;CC(N)CC(N)C(C)(C)F;JGUBRNBYUJZZJK-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83496;MM83496;C#CCOC(=O)NC=NC;UNSLXQROKATFOY-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83497;MM83497;C#CCOC(=O)NC=NN;DQVFWHLOYWGHHU-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83498;MM83498;C=C(C)C(CNC)C(C)O;OJRFEZHSYWAAGS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83499;MM83499;C#CCOC(=O)OC=NO;DTYJMYMUSSGNID-UHFFFAOYSA-N;143.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83500;MM83500;C=CC(CC(C)N)C(C)O;RGELPRIJCXZHSD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83501;MM83501;C=CC(=C)C(CO)CNC;GUKFIWXTPIEABR-UHFFFAOYSA-N;141.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83502;MM83502;C=CC(C)=CN(N)C(N)=O;XPWFKTAHFDJIGO-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83503;MM83503;N#CC=CNCCCO;CLCVWFXZEJJOKW-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83504;MM83504;CC#CCC(=O)NCCO;PTPDNAMOEUKIFC-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83505;MM83505;C=C(C)CC(=N)NC(C)=N;WFQOTRYWYXCLAO-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83506;MM83506;CC#CCC(=O)NCC#N;QWYVVCPWIFYMQD-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83507;MM83507;C#CC=CC(C)(N)CCN;WOFAIZMTWYDPTF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83508;MM83508;C=CC(CO)CC(C)N;HXHCHXLGRSJBRY-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83509;MM83509;CC(CC=NO)OC=NO;QCCJGTSBBBABEN-UHFFFAOYSA-N;146.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83510;MM83510;C=CC(C(C)N)C(C)CO;PHRHAASUACLMGW-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83511;MM83511;CC(OC=NN)OC=NO;LIYQRKXTUTWUSL-UHFFFAOYSA-N;147.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83512;MM83512;C=NOC(=O)CC=NOC;IOMADYSXNULQMF-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83513;MM83513;COC(=CCO)C(C)CN;PZUKNFUTDQSBSE-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83514;MM83514;N#CCC=NNCC=O;OUYLZWHLZACHKE-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83515;MM83515;CC(O)CC(C)(F)CCN;JBBNOMRYOPQZGF-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83516;MM83516;NCCC(F)C=CCO;BEWRYSNWOZYMCG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83517;MM83517;C=C(CC=NO)NC=NO;IHRWECAOWSNZST-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83518;MM83518;C=C(CC=NO)OC=NO;XFLOULVGSRDXJC-UHFFFAOYSA-N;144.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83519;MM83519;CC(N)CNCCC(C)F;FXQWAXYZNBNNMI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83520;MM83520;CC=CNC(=O)NC=NO;QZCAUIWVQCCBQH-UHFFFAOYSA-N;143.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83521;MM83521;C=CC(CC(C)O)C(C)N;IIAQQFLANORLIR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83522;MM83522;C=CC(CCO)C(C)N;LHYZNCQVDREXDO-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83523;MM83523;C=C(C)C(CCO)C(C)N;MUUQGJACXUYFGE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83524;MM83524;C=CCC(N)CCCO;CHLOSJNHSWMHKH-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83525;MM83525;C=C(C)CC(N)CCCO;IABGYEBTWXFDNK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83526;MM83526;CC=NNC(=O)NC=CF;KAZVYSIPEAIBMD-UHFFFAOYSA-N;145.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83527;MM83527;CCNN=C(N)C=O;XCRLTSOKSLWSDT-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83528;MM83528;NC(CC=CF)CCCO;ITIHNUMDKZSRML-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83529;MM83529;CCCNN=C(N)C=O;OYWXECLPLGJGFY-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83530;MM83530;CC=NNC(=O)NC=NC;ULTKNUBSFAXRDN-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83531;MM83531;CC=NNC(=O)NC=NN;BMHVQLMVYUKLRO-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83532;MM83532;C=NOC(=NN)NN=CC;HROASOFNOSTKMG-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01797;MM01797;CC=NNC(=O)NN=CC;WACBOOPNNABJCA-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83533;MM83533;CC(N)C(C)C#CCCO;UUHQTQFTAODFBU-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83534;MM83534;C=CN(C)C(=N)NN=CC;VFCPPTSILYGEOR-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83535;MM83535;NCCC(F)C=CCCO;CZPMGXFXLVXKRV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83536;MM83536;N=C(NC=NN)OC=NO;CUGSILMJQNXVJU-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83537;MM83537;NN=CNC(=O)OC=NN;QTWIPUQXWRPJKI-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83538;MM83538;CC=NOC(=N)NC=NO;VUHZKUXYVXVUEZ-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83539;MM83539;CC=NNC(=O)OC=NN;AXQJUJXKVZQLMC-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83540;MM83540;CC=NNC(=O)OC=NO;KGBMWJYFBFRQNS-UHFFFAOYSA-N;145.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83541;MM83541;C=CN(C=NN)N=COC;MXNXUZLCKGMTPD-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83542;MM83542;CC=NOC(=O)OC=NO;ORQLWZBAWGFAOQ-UHFFFAOYSA-N;146.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83543;MM83543;CCNCC(N)C=C(C)C;WWNPGYWEDCQGOT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83544;MM83544;COCC(F)(CF)CCN;VUQCUCYORKTAQD-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83545;MM83545;CN(C(=N)N)C(=N)CC#N;WRCUOOAGKYKKIK-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83546;MM83546;CC#CCC(=O)OC=NO;GQIPPXMKQWMLDH-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83547;MM83547;CNC(CCF)CCC=O;RICKLHOBUUQKFA-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83548;MM83548;C=NOC(C)(CF)CCN;FBJFLKYHOZTAIG-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83549;MM83549;CCC=NOC=NNC;FFSBJNGIGKMOJB-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83550;MM83550;CC=NNCC(F)C#N;ZTZDBCSMIKDSSO-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83551;MM83551;C#CC(C)(C(C)N)C(C)N;BEQLBRSJCIMGKL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83552;MM83552;CC=NN=C(C)NC(=N)N;VMAAJGSVVKRPTL-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83553;MM83553;CCOC(=NOC=O)NC;MYCBVQHTPUYSLK-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83554;MM83554;CC(C)C(=N)NN(C)C=O;XUUPCDNCKSUESS-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83555;MM83555;CC(=CC(N)C(C)C)CN;FDDFDPDTQBPYGO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83556;MM83556;C#CCC=NNC(=N)NC;AGCOMOGTPNYVJT-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83557;MM83557;COC=CC(O)CCOC;HULNYNWJRVOPGA-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83558;MM83558;CCONC(=N)NN;GHRBLJWRCVKLJI-UHFFFAOYSA-N;118.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83559;MM83559;CNCC(C)(C)C(C)=O;QPKSAEVZZQMSER-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83560;MM83560;CON(CC=CF)C(=N)N;KIUBLEULVQPAFV-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83561;MM83561;C=C(CCN(C)C)C(C)N;UYSJYXXFYLGJKE-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83562;MM83562;CCOCC(O)C=CCO;SNORNQXOIGGXJM-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83563;MM83563;CCOCC(O)C=COC;OSTBDENOROUBQN-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83564;MM83564;C=CN(C=N)C=CC(C)=O;RVWULBOPAUVIJZ-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83565;MM83565;CNN=CC(F)CCN;MCTLFQZICLBJMH-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83566;MM83566;C=CC(C)NC(C)CCN;YRPYCCZEHNYVFK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83567;MM83567;CC(C=CCO)OCCO;LTLSERJULYLMGV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83568;MM83568;CNC(C)C(N)C=C(C)F;AIOLIJQIIRQLMX-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83569;MM83569;CCOC(C#N)=CC(=N)N;LNXMHPLAQWIIEU-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83570;MM83570;COC=CC(C)OCOC;NWQCWZAGMBLHOA-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83571;MM83571;C=CC(CC(C)N)N(C)C;HVOVYKDRNHBDSV-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83572;MM83572;NCCC(F)C=COC=O;BUCIPPYTOAOIMA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83573;MM83573;CC(C)=CCC(CN)=NO;XMAGAGZWIXFWPR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83574;MM83574;C=C(CCF)C(F)CCN;NERNUEYICPLWEE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83575;MM83575;C=C(COC)C(F)CCN;VNNMLVXFEJJMKC-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83576;MM83576;CNN=C(C)C(F)CCN;DYRLPIOEYNNGBS-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83577;MM83577;CC#CC(N)C(C)C(C)N;GKDUIYCSCBCZGD-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83578;MM83578;CC(N)C(C=CCF)=NO;WLQFHYIMJOGYIW-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83579;MM83579;NCCC=CC=NO;WWPOIFOWMGWMLT-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83580;MM83580;C#CC(CN)CCN(C)C;TUDCYYLBIAKNSH-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83581;MM83581;C=CC(CN)COC(C)=O;GSQGNIMCEQVLFO-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83582;MM83582;C#CC(C)(O)C(C)CNC;WJXDOBNMSRYXSB-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83583;MM83583;C=NNC(=NC)OC=O;FFLZYJAKANSENA-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83584;MM83584;CCC(N)C(C)=C(C)CN;NIHSXBUTDBVHKS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83585;MM83585;N#CC=CC(O)CCCO;DYTXXPCIYAWCEL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83586;MM83586;C#CC(=NN)OCON=C;NPSFXQGEKFLZEH-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83587;MM83587;CNC(C)C(C)=C(C)CN;AVAAOLIKHXHJBC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83588;MM83588;COCCC(O)C=CC=O;QFUJQKAWXXWXGJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83589;MM83589;COCCC(C)NCCN;QYOADUQRAUDEAR-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83590;MM83590;C=NOC(C=COC)=NN;MQBDYLTWPPDDNN-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83591;MM83591;CCNCC(N)C=CCF;QFVALWWCNQYAKZ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83592;MM83592;C=CCOCCOC=NN;PCBLAEINWZJEDV-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83593;MM83593;C=C(OCOC)C(C)CN;KYIDCERPDRJJGU-UHFFFAOYSA-N;145.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83594;MM83594;C#CC=CC(N)C(C)NC;KEAAJGFUGDKHAS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83595;MM83595;CNCCC(F)=C(C)CN;NPRLGARXCULTGL-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83596;MM83596;COCC=NN=CC=NN;WMSHATWODJVPBU-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83597;MM83597;CCNCC(C)=C(C)CN;MQMLKWBAUCEVJD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83598;MM83598;COCCCCN(N)C=N;HXKXQPFBBGCCPE-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83599;MM83599;C=CCC(NC)C(C)NC;ZFQCUPHUFDZOOB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83600;MM83600;COC=C(OC)C(C)CN;JYPWXTUTQOQVPZ-UHFFFAOYSA-N;145.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83601;MM83601;CCNC(CN)CCOC;WKBBCXKUAPTUDD-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83602;MM83602;CCCNC(CN)CCF;PQGSSPDRIQFQSS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83603;MM83603;C#CCNN=CC(C)F;WJQUQRAGXYUYSN-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83604;MM83604;CN(CCCO)N=CC#N;QSNPOQGJWBDSCW-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83605;MM83605;C#CC(CNC)CNCC;HEERPRNCVOONRT-UHFFFAOYSA-N;140.23;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-[2-methoxyethyl(methyl)hydrazinylidene]acetonitrile;MM02783;COCCN(C)N=CC#N;BSSUZBMOZNINCK-UHFFFAOYSA-N;141.17;0.07;144185812;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83606;MM83606;CCC(C#CCN)C(C)N;QAWGYJKGGVAWBB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83607;MM83607;CN=C(NC)C(=O)C#N;RSUKGTXLLNHOLN-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83608;MM83608;CCC(CN)NCCCF;ISLGCJYUIFLSEM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83609;MM83609;CC(N)C(C)(C)C#CCO;FZCGAGIMIPJHNC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83610;MM83610;C=CC(CN)COCOC;UCZRNOPJRFOCKH-UHFFFAOYSA-N;145.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83611;MM83611;CN(NC=N)C(C#N)C#N;HLVPQDAZWUKGNR-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83612;MM83612;C#CCOCC(C=C)CN;CCWMRZFOJHVPRC-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83613;MM83613;C=CC(CN)CON=CC;GCRTYMQMDKZHDO-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83614;MM83614;O=CCCC(F)C=CCO;MSXABTQLNAWXTD-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83615;MM83615;C=C(NC=O)N(C=N)NC;UNELBLZQKNEGGH-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83616;MM83616;C#CC(O)CCNC(C)C;RTMVOBLFKQIZMZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83617;MM83617;CCC=CC(O)CNC=O;NKUIVQHYWMZFME-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83618;MM83618;C=CC(CN)C(C)OC=O;LOBVUKOOGIXCDN-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83619;MM83619;C#CCC(N)C(C=C)CN;FLRQWYLGFKYJGF-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83620;MM83620;CC(F)CCN;LMRNCVNWJNBQNO-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83621;MM83621;N#CC(=NCC(=N)N)NO;NYFJGMBJWCBVOG-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83622;MM83622;CNN=CONC(=O)NN;ICFAOWZSFGTXPP-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83623;MM83623;CCC(F)CCN;NNSFCSPNXVOBPJ-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83624;MM83624;NCCC(F)CF;URKKAUPRTZACSM-UHFFFAOYSA-N;109.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83625;MM83625;CC(C=CCO)OCC=O;RZYCRKDWCWVRNW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83626;MM83626;CC(C)CN(N)C(=N)NO;QQMTUVLWMMRAMY-UHFFFAOYSA-N;146.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83627;MM83627;C#CCC(C)NC;URJXDWOPIDOYLR-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83628;MM83628;COC(C)(C)CCN;CLOYVCHXXWLKSL-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83629;MM83629;CC(C=CCF)ONC=O;XSCATBNMYIFEEN-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83630;MM83630;C#CCC(O)(C#C)C=NN;KASSSFLYJXERON-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83631;MM83631;CN=C(NO)NCCOC;BFFPQXFNCGGXSU-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83632;MM83632;C=CC(N)=CC(=O)NN=C;RPLRIEYJZLCXHG-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83633;MM83633;C=NNC(=O)C=C(C)N;ZGBCWHWOTRUCPZ-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83634;MM83634;CNN=C(C)C(O)C=O;RUILRYJSLJCBDM-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83635;MM83635;CC#CC(C)NNC(N)=O;JDODAMPDPOYMTG-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83636;MM83636;C=CC(O)CC(C)NC;AZYFHJNULIOFEL-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83637;MM83637;C=CC(C)(N)CCN;ISKUXNWVNSTVET-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83638;MM83638;C=CC(O)CC(N)C(C)C;JUDUCQKJPRLFPH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83639;MM83639;COC=C(C)NC=N;CSXHFCRQUMRQFX-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83640;MM83640;CCC=CN(N)C(=O)NN;AUXNFDWILCIHAD-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83641;MM83641;C=CC(O)CCNCC;AHRNGCGHJUNXTI-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83642;MM83642;CC(C)C(F)CCN;GOTUNXAAWZNNEZ-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83643;MM83643;C=CC(N)C(C)NC;ODNJEQGYOSDZHZ-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83644;MM83644;CCC(=N)NO;RLZPCFQNZGINRP-UHFFFAOYSA-N;88.11;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83645;MM83645;C=CC(CCN)OC;UKCRXTCAXZHZQW-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83646;MM83646;CCC(N)C(C)C(C)(C)O;TUGWWNUOFDTKQG-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83647;MM83647;C=CN(C=N)N(C)C;AARCMIXCJCGMMB-UHFFFAOYSA-N;113.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83648;MM83648;N#CC=CC(O)CCC#N;FBYVGQAAJGVQJV-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83649;MM83649;CC(C)(CCN)OC=O;NXHAAGQMQCFUBX-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83650;MM83650;CC(C)(CO)C(F)CCN;VGZHCXGPXXLBLY-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83651;MM83651;C=NOC(C=O)OC(C)=O;IMSMKSGWYVWTJB-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83652;MM83652;C#CC(CF)C(F)CCN;ZVBNSUDFUBDMCV-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83653;MM83653;CC=CC(C)(N)CCN;PZKGGQZDEDNJFD-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83654;MM83654;C#CC(CO)C(C)C(C)N;LHUFPNSQJDRKQL-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83655;MM83655;C=COCC(O)C=CC=O;HNYJPJSRGZGLFF-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83656;MM83656;CC(C)(O)CC(F)CCN;PDLFXOLIVQMIRC-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83657;MM83657;C=C(C)C(C)NC(C)C;GXWJQUVTXPUDPC-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83658;MM83658;C=C(C)C(O)COC=NN;HCQYSWWIKKWVBJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83659;MM83659;CCNCC(C)(C)NC;OZPMFSLZWORMMH-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83660;MM83660;COCC(CO)CC(C)N;XZBZTCQQZAQYAZ-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83661;MM83661;CC(C=CC#N)OCC#N;FTWTWJLIMKJAGW-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83662;MM83662;NCCC(F)CCCF;JNSPEWCMZVIAPH-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83663;MM83663;CN(C=CC=O)CCC#N;WXUMSTNHNPCCQH-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83664;MM83664;CCCC(=N)NC=NC;ZPFBDBSWUOEHBB-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83665;MM83665;CC(C#CC#N)NC=N;ICYLMPYUBRZDAY-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83666;MM83666;C=C(C)C(N)C(C)NC;XJPVNUPRJBJZDN-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83667;MM83667;CCN=CN(C)C(C)=N;OOXJGKCLHUUUKM-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83668;MM83668;C=NNCCC(N)CC;LMYWRMDFSNHMLD-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83669;MM83669;C=CCCN(O)C=NC=O;LVHQADOEKCKZHL-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83670;MM83670;CC(O)CCC(F)CCN;UHAPNPLCBPADAW-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83671;MM83671;CC(CF)C(F)CCN;YQXMPVNPAGZTPC-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83672;MM83672;CC(CCO)C(F)CCN;YHBRRHOZBZKGEB-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83673;MM83673;CC=CC(N)C(C)NC;PAPKRNKUJMREOR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83674;MM83674;CN(CCC#N)N=CC#N;WLUHWJHPYQQIIF-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83675;MM83675;CNC(C)C(C)=CCN;BBJCMTNBAOFYAP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83676;MM83676;C=NOC(CF)CCN;DKIYLXCLPWSNSB-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83677;MM83677;COC(C=CF)CCN;KOQOABNLNRYWKE-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83678;MM83678;COC(CCN)C(F)F;IAVQWXUSAWERBU-UHFFFAOYSA-N;139.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83679;MM83679;C#CCC(CCO)C(C)N;ACCYEQMAIZLGGL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83680;MM83680;C#CC(OC)C(C)CN;PXKXCBSAOJKRHY-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83681;MM83681;CC(C)CC(N)C(C)(C)N;JYBABNLSWOCISN-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83682;MM83682;CN(C)CC(C)(F)CCN;HKBRIKWNKVDNJP-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83683;MM83683;CC(N)CC(C)CC(N)=O;DFGLTLWUBLVCSC-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83684;MM83684;CC(C)=CC(C)(N)CCN;HDLQWLFFDRIJET-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83685;MM83685;C=C(C)N(OC)C(=N)NN;DUWXUOUOMAQVEV-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83686;MM83686;CC(N)CC(C)(N)C(C)F;AQFPEFQWIQWPEV-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83687;MM83687;C#CC(N)C=CC(C)(C)N;TUYRWHUSODOSOH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83688;MM83688;CON=CC(C)(C)O;WXBLOXGMFJDMAU-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83689;MM83689;CC(N)(C=CCF)CCN;JWODQPNQTYQFAO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83690;MM83690;C#CCCC(C)(N)C(C)N;MTOOFDWRFUFZRB-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83691;MM83691;N#CCN(CC#N)NC=N;PQGWFWIXAKUJGI-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83692;MM83692;C=CCC(C)(CNC)NC;PTHIESIYOQLWNQ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83693;MM83693;C=CCC(N)(C=C)CCN;SEISVYSDSHMQTQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83694;MM83694;C=C(C)C(C)(CCN)NC;UPQBRNRHAINUKP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83695;MM83695;C=NN(C)CC(C)C(C)N;WPSKTHQUOZPRJN-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83696;MM83696;CC(F)(C=O)CN=CN;FZQRJWQIGBHPBS-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83697;MM83697;CNC=CC(=O)CCCF;OPMDGMFNIBNQEZ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83698;MM83698;COC=CC(=O)CCCO;ASMFNDSGUIXYEA-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83699;MM83699;C=C(C)CNC(C)CCN;TVZMLIXWTMQHQO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83700;MM83700;CNC(=N)C(=NN)N(C)N;RESDCZLTMMJMAM-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83701;MM83701;CNCC(C)C#CC(C)N;BVCDIUTYBBOLHZ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83702;MM83702;C=NNC(C#N)C=O;RERXRIPHGXEBRM-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83703;MM83703;CC(C)=CCC(F)CCN;BALAVZFIKREETL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83704;MM83704;CC(CCNC(C)C)=NN;PTDVOXVIXNIVRQ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83705;MM83705;CCC(O)COC=NN;LCSOFDYNKJDAKH-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83706;MM83706;N#CC(=N)NC(=N)C(=N)N;CKQZKOWQARZDRK-UHFFFAOYSA-N;138.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83707;MM83707;CNC(C)C#CCC(C)N;SSWRTSKFGUTKSQ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83708;MM83708;C#CC(C)C(CO)=NNC;DZNYYBYNBVCMRN-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83709;MM83709;CC(CF)CC(F)CCN;TVCAUGJUWMRVSV-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83710;MM83710;CCONC(=O)C=CCO;GWXLLPYUWOKYBH-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83711;MM83711;CCONC(=O)C=CNC;USUGFTPGRRNDSF-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83712;MM83712;CCN(C)CC(F)CCN;AAJWSPLDOFNMJP-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83713;MM83713;CNN=C(CO)CC=O;COZZKPAPAAZXIM-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83714;MM83714;CCONC(=O)C=NOC;GZLTXGDEDLFCDO-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83715;MM83715;C=C(C=COC)OCCO;DMSHZIPNPCANTO-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83716;MM83716;COCOC(=O)C=CCO;QLBBPCMVHUBCEM-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83717;MM83717;COC=CC(=O)OCOC;IPFLIHGOEJYGLL-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83718;MM83718;CC(C)(O)COC=NN;JBXFHXLTYQIIRG-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83719;MM83719;CNN=CC(=O)OCCO;DEHSCPHVOHFULW-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83720;MM83720;CCNC(C)CC(C)=NN;IMVGMOJASGELTC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83721;MM83721;CON=CC(=O)OCCO;VJHICVREMGSTQO-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83722;MM83722;CC=NNC(=N)OC(N)=O;SCPJBWDQBJKDII-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83723;MM83723;CNCC(C)=CC(C)NC;WKQHTWJBYZWUOZ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83724;MM83724;N#CC=CC(=O)CCCO;XSRGFDQNHXXAOR-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83725;MM83725;CNC(=NCC#N)NC=N;IWHVBLMOFLVTGH-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83726;MM83726;CCN=C(N)CC(=O)C#N;CAZVLDNUQIKXOY-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83727;MM83727;C#CC(=C)C=NOCCO;SEOPNWBTYYPCGD-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83728;MM83728;NCCC(C#CCO)=CF;XAXOBIPCCXVLJX-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83729;MM83729;CNC(C)C(N)C=C(C)C;BNXNWCQDCAABAC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83730;MM83730;CN=CNC=CC#CCO;ZLAHIEVYVXTITG-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83731;MM83731;COC(=NN)ON=CNO;BYMMJKLFLWWXGW-UHFFFAOYSA-N;148.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83732;MM83732;CNC(C=CF)CC(C)N;YPLPWXNKBMKFHM-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83733;MM83733;CNC(CC(C)F)C(C)N;SEPWNUYZKRMKMD-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83734;MM83734;CCONC(=O)C=CC=O;KOEIFTUVKBQQDT-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83735;MM83735;N#CC=CC(=O)OCCO;QLIGRFODASPBER-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83736;MM83736;C=NN=CC(=C)OCCO;RREKIVLWTOVAOF-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83737;MM83737;C=CCNC=NCC(C)N;YZSJCDUEKUTYMY-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83738;MM83738;C=NN=CC(=O)OCCO;DKUSUKUOPVVRSH-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83739;MM83739;CCNCC=C(C)CNC;LEHHDDOUYVHACI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83740;MM83740;NN=CN=NC=CNO;OTMLGXHECNSLBP-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83741;MM83741;CNCCNC(C)C(C)C;ZSXBRCZKMIIMFR-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83742;MM83742;C#CC=CC(=O)OCCO;CHZMKCLTFZTWSB-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83743;MM83743;N#CCCC(=O)C=CCO;IVJKBSQJTIIOQQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83744;MM83744;C#CCON=C(C)CCO;WFVKEKYAEBPKOC-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83745;MM83745;CC(CCO)OC=NN;YXUAQDJZDNRVNJ-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83746;MM83746;N#CC=C(N)CCCO;LOQGFOGAPRYQCW-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83747;MM83747;CC=NNCC(C)C(C)N;SSHJEBSIGGHDFT-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83748;MM83748;C=NN=CN(C)CC(N)=O;CRYXZGFHKMCKCY-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83749;MM83749;CC(C)C(N)CC#CCO;YJWUZXJZBSGLSE-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83750;MM83750;CC(C#N)=CNCCC=O;JHFWVDVCKGPKKP-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83751;MM83751;C=C(C=CCNC)C(C)N;AHGQAQRVHIJOLC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83752;MM83752;C#CC(O)CC(C)(C)NC;DWRUJXLWXLNCRO-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83753;MM83753;C#CCNC(=NN)ON=C;SATODVVWDZZTDU-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83754;MM83754;C=NNC(C)C(C)C(C)N;NBWCEKHFDMXEGF-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83755;MM83755;CC(N)CCC(C)(O)CF;OGDPORXEUULACT-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83756;MM83756;N#CCNC(=O)C=CCO;CWJCXARXPDBRNC-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83757;MM83757;C=C(C)C(CCN)NCC;XDVZVSFJJVOPBU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83758;MM83758;C=NNC=C(C)C(=O)C#N;OTJZOTRSPGYKOQ-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83759;MM83759;C=COC(=O)C(N)=NN;OCBYKRBGGNAKSB-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83760;MM83760;CNN=CC(=O)NCC=O;SJOXNSDXWGRMBO-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83761;MM83761;CNN=CC(=O)NCC#N;KOWKFLLVEILKNT-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83762;MM83762;C=C(C)C(CCN)OC=O;HPOGFJUNOQOCGE-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83763;MM83763;COC=CC(=O)NN=CN;PNUOSRMHABIPFK-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83764;MM83764;CNN=CC(=O)NN=CN;SAIMSWXPRXOMFU-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83765;MM83765;CNN=CC(=O)NOC=O;WMPGTOBAHOEJAT-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83766;MM83766;C=C(C=CCO)OCC#N;XBPRQMJGKSKZJO-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83767;MM83767;CNC=CC(=O)OCC#N;JBSLZMKGSSOMCU-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83768;MM83768;COC=CC(=O)OCC#N;FUHZLGFXTIEHJU-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83769;MM83769;C=NNC(C#N)C(C)C#N;KEWOGWHKWZHNFC-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83770;MM83770;C=CC(CC)(CCN)NC;POPMNAXHEYRSBV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83771;MM83771;CNN=CC(=O)OCC=O;GZXLDCOMJKUFFS-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83772;MM83772;C=CCC(C)(O)C(C)(C)N;BXAGPQFXXAKFJO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83773;MM83773;CNC(C)C=CC(C)NC;LVHDPVRWRGISPB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83774;MM83774;CON=CC(=O)OCC#N;XKIYZFICVSIYJY-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83775;MM83775;CN(C)C(CO)=NCCO;FGDKIKCKBNTOBP-UHFFFAOYSA-N;146.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83776;MM83776;COC=CC(=O)ONC=O;NDHVMBNHZPQUBJ-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83777;MM83777;CNN=CC(=O)ONC=O;UMHONECGXAMIPT-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83778;MM83778;CC(C)(CO)NC(=N)NO;UUUYCHUOTRMCCS-UHFFFAOYSA-N;147.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83779;MM83779;N#CC=CC(=O)CCC#N;FBQMCYNZQGBCBY-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83780;MM83780;C#CC(CC(N)CC)NC;FKOJAJNLUZSJOV-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83781;MM83781;C=NN=CC(=O)CNC=O;GLYHTSVDLUVTCN-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83782;MM83782;CC(C)N(N)C(=N)NO;FUXMOIDQQWNJGX-UHFFFAOYSA-N;132.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83783;MM83783;CCC(C=C(C)CN)NC;BQMFALOASUVODK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83784;MM83784;CC=C(C)C(N)C(C)NC;OFJQFZUWKSPGGA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83785;MM83785;C=NN=C(C=CN)ON=C;WKJMBFUQSYMAIM-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83786;MM83786;C=CC=CC(=O)NCC#N;WKHSXHLOHNEDLC-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83787;MM83787;O=CC=CC(=O)NCC=O;MREDJJJHEZTYSC-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83788;MM83788;N#CC=CC(=O)NCC=O;UOEYUKRSMFYOAA-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83789;MM83789;N#CC=CC(=O)NCC#N;SKNXCXUEULPAPF-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83790;MM83790;C=NN=CC(=O)NCC=O;YWJMYQKVUBIQBK-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83791;MM83791;C=NN=CC(=O)NCC#N;XVTXOEHZQZTUFQ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83792;MM83792;C=NNC(=O)NC(C)(C)C;RHGCNHIRAANGQS-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83793;MM83793;C=NN=CC(=O)OCC#N;ZJZYVRGPVYWPTH-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83794;MM83794;C#CC=CC(=O)NCC#N;ICIXEKWNBIVXLQ-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83795;MM83795;C=CC(N)C(CF)CNC;OIHQMGPCHVMLFS-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83796;MM83796;C#CC=CC(=O)OCC#N;HRYWQXOUNWOBOC-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83797;MM83797;C#CC(ON=C)C(C)CN;YYFWTMGYYWJHKA-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83798;MM83798;C#CC=CC(=O)ONC=O;UGFXWEXEKOQSDL-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83799;MM83799;CC=CC(CN)C(F)CN;FNHLXPIZRDKAJU-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83800;MM83800;C#CCNC(=O)C=COC;NIVALDVMYPFCLI-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83801;MM83801;C=NNC(=O)C(C)=CN;GSXHFEVCVTXFTP-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83802;MM83802;C#CCC(CN)COC=O;ADJDYLIPEAALCW-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83803;MM83803;C#CCOC(=O)C=CCO;CHVGQVPBFATDMV-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83804;MM83804;CON(C)C(=O)NN;HFABSEOBDBALDQ-UHFFFAOYSA-N;119.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83805;MM83805;CNN=CC(CCN)OC;HAYNTVNSJWRFPL-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83806;MM83806;C=NN=CC(CCN)OC;MPHVAFPSXCKNRM-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83807;MM83807;C#CCNC(=O)C=NN=C;IRIGSXBFKNMMAM-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83808;MM83808;C=C(F)C(CN)CNCC;XAKBJZYNHFMFGL-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83809;MM83809;CC(C)ON(C)C(=O)NN;ANIPAQJRMXFVOF-UHFFFAOYSA-N;147.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83810;MM83810;C=CN(C=N)NCC#CC;WAMXHLPWHJCFCI-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83811;MM83811;CC(C=CCO)OC=NO;IZXGAKUJYMFBTQ-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83812;MM83812;C=CC=CN(N)C(=O)NN;NNZLGBSTPVCIGO-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83813;MM83813;CON=CC(C)OC=NO;XQANSUUQAZRARF-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83814;MM83814;C=CCN(C=N)C(=C)CO;ZIHAFUYXVPRTNP-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83815;MM83815;C=C(C#N)C(O)C=NNC;HQYKRHFLWBDSRS-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83816;MM83816;CON=CCC(=O)C=O;GLNDVJIGPRIDNQ-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83817;MM83817;CN(N)C(=N)C=C(N)CO;LCOLDRIGKGFOMI-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83818;MM83818;C=CC(O)CCC(C)N;PBFLCNUNUXYZEL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83819;MM83819;C=NNC=C(C#N)C(N)=O;ZYOFAKBERXSCRF-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83820;MM83820;CON=C(CC=O)N(C)O;ACBDMDKYOFAKJW-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83821;MM83821;CC(=N)NO;AEXITZJSLGALNH-UHFFFAOYSA-N;74.08;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83822;MM83822;CCC(NC)C(N)COC;MYPNEHVYSPWFOP-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83823;MM83823;CCC(N)C(C)C(C)O;VKMHBVNELLRMRM-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83824;MM83824;CCCC(N)C(C)CO;KIVBFLOUYDITOC-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83825;MM83825;C#CC=CN(N)C(=O)NC;VDQZVKYRUQASLV-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83826;MM83826;CN(C=CC#N)CC=NO;ILBWFMUVZDDGPT-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83827;MM83827;C#CC(CC)C(N)CNC;QSMLNNOZLHYMCZ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83828;MM83828;CCOC(CCN)CCO;HUMIOAAPCMUKMT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83829;MM83829;O=CN=CN(O)CC=CF;ARAVPMRODXEBCR-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83830;MM83830;C#CC(OC)C(F)CCN;UXOQWQNHDOQRLJ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83831;MM83831;CN=CNC=CC#CC=O;YDYFXFYZJVTIBE-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83832;MM83832;C=NN=CN(N)CC=NO;VXLKKJWDMSBBPN-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83833;MM83833;C=CC=NN(C)CC=NO;IFTJMPUZWBBUDA-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83834;MM83834;CN(CC=NO)N=CC#N;FJKGLPIAGXDXGU-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83835;MM83835;NCCCF;YTHVGJSPULXGNY-UHFFFAOYSA-N;77.1;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83836;MM83836;CC(N)CCCO;JAXJUENAJXWFBX-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83837;MM83837;COC(CCN)CCCO;WEZULJZKAPXSFA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83838;MM83838;NCCC1CO1;BRKUEPJSZFSMPC-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83839;MM83839;C#CC=NN(C)CC=NO;VCEMEOCKEJOPHJ-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83840;MM83840;O=C(C=CCO)CC=NO;FZQRYZSQKICBPT-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83841;MM83841;C=C(C=NNC)CC=NO;JVYRMXOFNVMMOL-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83842;MM83842;NCC(CF)CC=CCO;ZNJOIRGRGPRUCQ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83843;MM83843;COC(C)CCN;IQKTYAYBZRHHJI-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83844;MM83844;C#CCC(N)CC;QRSKOUFDYNFCNV-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83845;MM83845;C#CC=NNC(C=O)CO;FSNZRUWBFDVMSZ-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83846;MM83846;CC(O)C(C)NC=CC#N;NRWRKSMKMPSOHE-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83847;MM83847;CNC(C)CC(F)CC=O;DVQWYTSCFMSCPB-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83848;MM83848;C#CC(C)C(C)N;JEXGNOTVKZKORR-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83849;MM83849;CC(=O)NCCCC(C)N;MFKNBHHMQNTYOH-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83850;MM83850;CC=NNCC(=O)C#N;RHKPWUCOMJDZCO-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83851;MM83851;CNC(=O)CCCC(C)N;BLCQQJMTGKPXRJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83852;MM83852;C=NOCCCN;HNGGYWZVZKHICR-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83853;MM83853;CC(N)CCCC(N)=O;PVTWDDIZLORGIS-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83854;MM83854;C=C(CO)C(=NN)OC;MHYOJEQCDPMZSG-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83855;MM83855;CC=NNC(=O)C=CNC;JARQAQBDHXSNKM-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83856;MM83856;CC=NNC(=O)C=NNC;WAUAUPJFBXLZPH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83857;MM83857;COC=CC(=O)OC=NO;OBCJZGZQOVUIOJ-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83858;MM83858;CC(O)C=CCOC=NN;MCNZQMQIFFKFGH-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83859;MM83859;C=C(C=NNC)OC=NO;BLQFPOKGCUDTSN-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83860;MM83860;CC(CO)C(N)=CC#N;NMORSEGCCURCBQ-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83861;MM83861;CC(CCO)C(CN)CF;UIVGFELAOBYCDQ-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83862;MM83862;C#CC(=CCC=O)NC=N;XXKIUPQTCUKLCQ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83863;MM83863;C=CCC(C#N)C(=N)NC;KKOAKHLWDYZMAT-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83864;MM83864;CCC(N)C(C)(C)N;KMBLEIWOEVXHQI-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83865;MM83865;C=CN=C(C#N)NCC=O;JAYPQGXKJQLZDB-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83866;MM83866;CC(CCN)OC=O;WXBCFMLEXVYFOB-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83867;MM83867;CNNC(=N)N(C)OC;CUJZYEBPQJUXGO-UHFFFAOYSA-N;132.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83868;MM83868;C=CC=CC(=O)NC=NN;XCZZORDOXMNXFV-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83869;MM83869;C=NN=CC(=C)NC=NO;OGOGHBXEBRUJJS-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83870;MM83870;CCC(C)ONC(=N)NN;LTLBXCYZTHUQFD-UHFFFAOYSA-N;146.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83871;MM83871;C=NN=CC(=O)NC=NC;SMPVHARKWOZVOT-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83872;MM83872;C=NN=CC(=O)NC=NN;KOKCFQUTLMZVAD-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83873;MM83873;C=NN=CC(=O)NC=NO;OBGVFDNZBXKVFX-UHFFFAOYSA-N;142.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83874;MM83874;N#CC=CC(=O)OC=NO;CULZFRAWWICEKD-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83875;MM83875;C=NN=CC(=O)OC=NO;JYYUAEZZCSIRJB-UHFFFAOYSA-N;143.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83876;MM83876;N=C(N)C#CCOC=NN;WUTLHHRNGUPVTO-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83877;MM83877;C=CC(=NC)NNCC#N;SVFHKHLFPMDRII-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83878;MM83878;C#CC=CC(=O)OC=NO;OMQIXPMPGIXDDC-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83879;MM83879;C#CCOC(C#C)ON=C;GITXFHHTEHIGKO-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83880;MM83880;CC#CCC(O)C=CCO;LCVWZPZCBNKVRR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83881;MM83881;CC=CCC(CN)=NO;RASZLZMYDNSJTE-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83882;MM83882;C=NOC(C)CCN;FCYAOJIZZRMUDM-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01968;MM01968;CC#CCN(C)N=CC#N;XXEAMAFGSBNHKA-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83883;MM83883;OCC#CC(F)CCCO;NHFISAZFUWRVBW-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83884;MM83884;C=C(F)C(C)CNC;UMZTZTBWNNYUJB-UHFFFAOYSA-N;117.17;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83885;MM83885;CNC(=N)C(=N)NC=O;ZNYZWMPHBRLMET-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83886;MM83886;CNCCC(F)CF;YLUGIODBUQMIJZ-UHFFFAOYSA-N;123.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83887;MM83887;CC(CCCCN)=NO;LFZJIJFILMTVOU-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83888;MM83888;COCCC(O)C#CCF;ROAHMNWTICNTFE-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83889;MM83889;COCCNN=C(N)C=O;KMELJLURGHISPK-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83890;MM83890;C=CCC(CN)CF;WEKFFRUVNQXZLJ-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83891;MM83891;C=C(C=NO)CCCN;NFKYJBCJRHSQOZ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83892;MM83892;C=CC#CC(O)CCCO;AQAAEUHDYJUWHK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83893;MM83893;O=CC#CC(O)CCCO;RESSDJSXFAVCAT-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83894;MM83894;CC=NOCCCN;RPGXTQWAFOSUHU-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83895;MM83895;CC(=NCC(=N)N)NC=O;VBPXYZJCZACITO-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83896;MM83896;CC(C=CC=NO)CN;IXHKJRRRAVGTRJ-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83897;MM83897;COCCC(O)C#CC#N;QRSAEZKUDWRUHE-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83898;MM83898;CC(O)(C=O)C(=N)N;LFVKKEAWPPQCDQ-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83899;MM83899;C#CC(C#CCO)CCN;PLGJWYOFTKRMJJ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83900;MM83900;C=CCC(=N)NC(C)=N;ISLYGOMTDFPWMY-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83901;MM83901;C=CC(C)(N)CCCF;ZEROAHSSWMZBQO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83902;MM83902;CC(C#CC=O)OCCO;UIADDWMIOZGSFT-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83903;MM83903;CC(C#CC#N)OCCO;GGVOHKANSZCQLB-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83904;MM83904;COCOC(C)C#CC#N;ZXKDXVIOYAEUFL-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83905;MM83905;C=C(C)C#CC(=N)NC;SKNMUGJFJKTEPB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83906;MM83906;C#CC#CC(O)CCCO;NEFLMKZKKIIAPF-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83907;MM83907;CNCCCC(C)(O)C=O;PKWFRZWLTWIZFV-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83908;MM83908;C=COCC#CC(=N)N;LEMLWZDGODFUNT-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83909;MM83909;CC(C)=NOCCCN;QSCDVWXHWVBING-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83910;MM83910;C#CCNN=CON=C;KNUHWCGWYMCXKQ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83911;MM83911;CC=NN(C)C(CF)=NN;ZKPLFEMNBWFOBD-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83912;MM83912;COCC=NNC(=N)CF;URENWKCIYDOBDI-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83913;MM83913;CC(C#CCO)CNC=O;PLOGSEOOUZCUBU-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83914;MM83914;CCC#CC(O)CNC=O;SLRHLFXPVUYNSD-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83915;MM83915;C#CC#CC(C)NC=N;KZNRWWGCNMJVIF-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83916;MM83916;C=C(C)C(F)C(C)CN;PMVUAEJNPIFDPT-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83917;MM83917;CCC(N)CC#CCN;KSBZVVCTTULFEZ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83918;MM83918;C=C(C#CC(C)O)CCN;KVTSGFNTYKGWJC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83919;MM83919;C=CC(O)C(=C)CCNC;JUXLPBMSTJGXEN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83920;MM83920;CC=CC(F)C(C)CN;MXOFHXYLNBXORF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83921;MM83921;CC(C#CCO)OCC=O;BIGQVIKOZMROLK-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83922;MM83922;CC(C#CCO)OCC#N;SFGMSOAQRXUARO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83923;MM83923;COCC(CCN)OC;FYYJRQMDIGKBQR-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83924;MM83924;C=CC#CC(O)CCC#N;AXRUKRGSUDWVIY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83925;MM83925;O=CC#CC(O)CCC=O;GIPUPYHOSOQRFW-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83926;MM83926;N#CC#CC(O)CCC#N;RPTUQZCZFBRCCW-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83927;MM83927;CC(C#CC=O)CNC=O;VWCZWSCKZIUCLY-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83928;MM83928;C=CCNC(CO)=NC;VODSDWYJSFVFQM-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83929;MM83929;CCC(CCN)OC=O;SVWOAFJVWQOPBY-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83930;MM83930;N#CC#CC(F)CNC=O;IMZIMUOKWAGBHP-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83931;MM83931;C#CCC(CCN)OC;PALCSWJDJSKMME-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83932;MM83932;C=COCC(O)C#CC=O;KFZGXJPWSLZZJC-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83933;MM83933;CC#CC(=CF)CCN;MWEVVILBBLZTQK-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83934;MM83934;N#CCC=NNC(=N)CF;WRBOYZMMFCPLHK-UHFFFAOYSA-N;142.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83935;MM83935;C#CC(C)(C#N)C=NNC;CYOASXNTTRQFRB-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83936;MM83936;CCC(N)(CO)CCCF;ULHSCVMDFSFCPW-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83937;MM83937;CC(=CNC(=N)NO)CF;IUCACHHDUTUNAK-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83938;MM83938;C#CC=C(CO)NC=N;NJYXUSBTAIMZNA-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83939;MM83939;CC(F)C(CN)CCF;GRSDTRGIAHKIFC-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83940;MM83940;C=CCC(CN)C(C)F;LFJGFFMERATDFC-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83941;MM83941;CC(C#CC#N)ONC=O;LPAICUBWNRNFKQ-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83942;MM83942;C#CC#CC(O)CCC#N;UJHPEDQFBNOLDR-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83943;MM83943;CC(C)C(CN)C(C)F;WVHYNPLFZWHJLJ-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83944;MM83944;C#CC#CC(C)NNC=O;UTRMTPXSRDEJIB-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83945;MM83945;C=CC(C)C(CN)CF;PNQCDIAPXXMTOI-UHFFFAOYSA-N;131.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83946;MM83946;C=NNC(C)(C#N)CC#N;HEMLBJKXNYSHNO-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83947;MM83947;C=C(C)N(C=N)C(=C)CO;OCZVNMUUTNICAP-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83948;MM83948;C=C(C#CCO)CCCO;LJRPJCKCEOQBRW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83949;MM83949;C#CC(C=C)C(C)NC;YTHOJDWTBKXYDM-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83950;MM83950;C=CC(=C)C(CN)CN;AVTTTYNKRUFMTI-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83951;MM83951;CN=C(C=O)NC=CF;SJVXAOIUWMLRHX-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83952;MM83952;C#CC=NNCCCC#N;KYYSWJHSRLNIMM-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83953;MM83953;COCCC(=O)C#CCO;SZEYTZMQHNZCQW-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83954;MM83954;CCOCC(=O)C#CCO;WGKGZUANLHJBBL-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83955;MM83955;C=NNCC(F)F;LYNPNROLHZPUJS-UHFFFAOYSA-N;108.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83956;MM83956;C#CC(=NOC)NCC#N;CNMMXFAMSUCLKH-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83957;MM83957;C=CC=NOCCCN;RMIJQRVFNASMKO-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83958;MM83958;C=C(CCCF)C(C)(C)N;MSZUDTSLVJCXKE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83959;MM83959;C=CC(N)C(C)(F)CCN;JRECZOFHAUFDOD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83960;MM83960;CC(N)C(C)(N)CCCF;FSTUGGIIXWMLAX-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83961;MM83961;C=C(C#CCO)OCOC;RTCOHCCGGFVUJX-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83962;MM83962;O=CC#CC(=O)CCCO;RKCWIAYEAJXZKM-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83963;MM83963;C=NN(C)C(=NC=O)NO;ZXRHYZIDOCGWRI-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83964;MM83964;C=C(CCNC)C(C)O;MYTFCJDIYPCUJV-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83965;MM83965;C#CCNC(C)CC(C)N;PEKFJQZSYWUFMS-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83966;MM83966;CC(C)(CF)C(N)CCN;PGVYXYUQHRJQAE-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83967;MM83967;CCNCC(C)(C)O;XJUNFOQRHFYPKP-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83968;MM83968;C=CC#CC(=O)NCCO;IAJRUORBCSXCGZ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83969;MM83969;N#CC#CC(=O)NCCF;DFOXWLIZEYLGJW-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83970;MM83970;CNC(C)(CCF)CCF;AXUNXPSMOUVEIR-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83971;MM83971;C=C(C#CC=O)OCCO;VMFUSCGEORZJBQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83972;MM83972;C=C(C#CC#N)OCCO;VAJFXNQKGLVALZ-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83973;MM83973;C#CCC(N)(C=C)CNC;STUCXRXSGGKKKM-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83974;MM83974;C=CC#CC(=O)OCCO;NICIVRASQXEENA-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83975;MM83975;O=CC#CC(=O)OCCO;BOBHHGBXZUYHRT-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83976;MM83976;N#CC#CC(=O)OCCO;DQAHYOCSLWHACH-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83977;MM83977;COCOC(=O)C#CC=O;VTEXPYYXZSHGEO-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83978;MM83978;C=CCN(C)CCC(C)N;GUORTYQDVUAJHN-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83979;MM83979;CCCC(N)CC(N)CF;XTUFFZJDQYXLIA-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83980;MM83980;C#CC#CC(=O)OCCO;IJGURDBCGLJOJT-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83981;MM83981;C#CC#CC(=O)OCOC;QYNVNCHDKDTGKO-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83982;MM83982;COC(C)OC(C)CCN;FVJLCZBCHLJPPE-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83983;MM83983;CCC#CC(=O)CNC=O;MUCUMAWVVVKKBE-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83984;MM83984;CC(C)=CC(F)C(C)CN;LNPGLXFFNWQCMM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83985;MM83985;C=C(C#CCO)COC=O;CJUSDXQMXCWANK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83986;MM83986;CNCCC(=CF)CO;FJQSSEHFMRPXPG-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83987;MM83987;C#CC=C(CO)CCNC;BPBMPZGLSWNXIX-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83988;MM83988;C#CC(CNC)CC(F)F;SXARWHPXCVRCOO-UHFFFAOYSA-N;147.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83989;MM83989;C=CCNC(=O)C#CCO;ZLYKMADOWHLBKO-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83990;MM83990;CCC#CC(=O)NCC#N;GCSLZHDTGSUBQR-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83991;MM83991;O=CCNC(=O)C#CCF;UZJWRSBTNAZQFO-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83992;MM83992;N#CCNC(=O)C#CCF;YCWUGSFINJIHJH-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83993;MM83993;CCC#CC(=O)NN=CN;AWJAHTBRPISGBW-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83994;MM83994;C=C(C#CCO)OCC#N;LSYXRXXHQVDOQN-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83995;MM83995;CC(N)C=C(CF)C(C)N;WLRZLEOKERKGCE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83996;MM83996;C=CCOC(=O)C#CCO;YZZNSHUTLIEWGX-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83997;MM83997;O=CCOC(=O)C#CCO;YUGAHBXVWPQJGB-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83998;MM83998;N#CCOC(=O)C#CCO;ROTWRBFLEQDRMX-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM83999;MM83999;CCC#CC(=O)ONC=O;QLDBGYCFWJVDTD-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84000;MM84000;N#CC#CC(=O)CCC#N;SPTZMDIKJDNBRE-UHFFFAOYSA-N;132.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84001;MM84001;C=NN=CCCNC(C)C;AVQOWLUZAIEWCW-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84002;MM84002;C=C(C#CC=O)COC=O;OWWYJLKPTAFJLC-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84003;MM84003;C=CC#CC(=O)COC=O;RQJFLSJKNPFBNK-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84004;MM84004;CNCCC(CO)=C(C)C;PCYDAFWVQQOALE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84005;MM84005;CC=C(CO)CCNC;UXCHPNVRFTUZHC-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84006;MM84006;C=C(C)NC=NCCNC;YIZCOLITRUJHLJ-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84007;MM84007;C=C(CO)CCNC;XSADGKUHITUXRT-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84008;MM84008;C=NOCOC(C)CCN;IPEDWJWZEWVCLU-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84009;MM84009;CC=CC(N)C(F)CCN;PEFFAPBGEBWIAX-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84010;MM84010;C=C(C)C(=C)C(CN)CN;JXISTXYOHRTBIM-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84011;MM84011;C=CCNC(=O)C#CC#N;QTXQCZRPQFYWQE-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84012;MM84012;C=CC#CC(=O)NCC#N;JXIGIMZCSGEHLA-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84013;MM84013;N#CC#CC(=O)NCC#N;MLYUMYPXAZTUDK-UHFFFAOYSA-N;133.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84014;MM84014;C=CC#CC(=O)NNC=O;QGWQCBJJNHGAEO-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84015;MM84015;C=C(C)C(C)NCCCN;IFAURCKQVKIOSM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84016;MM84016;N#CC#CC(=O)NOC=O;HGWCGYGILYXJCQ-UHFFFAOYSA-N;138.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84017;MM84017;C=C(C#CC=O)OCC=O;WTKKRJHVHBTLJJ-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84018;MM84018;C=C(C#CC#N)OCC#N;HOBGOUDIWAEULH-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84019;MM84019;N#CCOC(=O)C#CC=O;PEKRJNONCCWJHJ-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84020;MM84020;N#CC#CC(=O)OCC#N;KUHBEEGVXRWWCY-UHFFFAOYSA-N;134.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84021;MM84021;CCON(C)C(=N)N(C)N;VUCQREHKGGAQAO-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84022;MM84022;CCOC(CCN)COC;APKFFESEKAWUFA-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84023;MM84023;O=CC#CC(=O)ONC=O;UIZUCIJQYFRXNF-UHFFFAOYSA-N;141.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84024;MM84024;N#CC#CC(=O)ONC=O;NAOZDCJBJOFJIZ-UHFFFAOYSA-N;138.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84025;MM84025;C=CC(CO)CNCC;WYNAPIBIHAXRJO-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84026;MM84026;C#CC#CC(=O)CNC=O;MKGLOSCSOZJRHJ-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84027;MM84027;C#CC#CC(=O)COC=O;BGBQAKVKFQPZOF-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84028;MM84028;C#CC#CC(=O)NCC=O;COWWWDYSJCUDSB-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84029;MM84029;C#CC#CC(=O)NOC=O;ZFOWOVBIJNXEGC-UHFFFAOYSA-N;137.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84030;MM84030;C#CC#CC(=O)OCC#N;ZVQSLYDVZZHVGW-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84031;MM84031;C=CCC(CCN)OC=O;MQIQBLCZBXXDKQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84032;MM84032;C#CC#CC(=O)ONC=O;FFKCLLIOLDFSFS-UHFFFAOYSA-N;137.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84033;MM84033;C#CCNC(=O)C#CCF;AJDSVXOMXPSNTJ-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84034;MM84034;C#CC=C(COC)NC=N;BSHWILAGRZCFLO-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84035;MM84035;C#CCOC(=O)C#CCO;MIEAXMNLPJJRTH-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84036;MM84036;C=CC(N)(C=C)CNCC;XFXOXRJQCLUBOR-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84037;MM84037;CCC(CN)(CCF)NC;PLLREWFHDBAMMF-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84038;MM84038;C#CCNC(=O)C#CC=C;KGTOAVFQEMFXSV-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84039;MM84039;C#CCNC(=O)C#CC=O;LEEAZEQFPDHTFY-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84040;MM84040;C#CCNC(=O)C#CC#N;KSKNCPHLFJZUQW-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84041;MM84041;C#CCOC(=O)C#CC#N;YTLDLFSLXNHJBO-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84042;MM84042;CCC(N)CC(CF)NC;LYRIFVJMINQORF-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84043;MM84043;C=CCON(C)C(=O)NN;LWEANJBDUYCOPN-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84044;MM84044;CCNC(=O)C(F)C=NN;KOVBBAUNVQCZKT-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84045;MM84045;CC(O)C(=NC=O)N(C)C;KAPCXJZQHXKYRD-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84046;MM84046;CC(C)=CCC(CN)CF;WEQVEBONRBSJAR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84047;MM84047;C=CC(CO)C(N)C(C)C;GMFZVEUALFYXDH-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84048;MM84048;C=NOCC(F)CCNC;MOFDCGPJARMYII-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84049;MM84049;CC(C#CC=O)OC=NO;JXTGZCUYCFTRRV-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84050;MM84050;CC(C#CC#N)OC=NO;FITUSHGJHRMTLZ-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84051;MM84051;CC(C#N)N(O)C=NC=N;XIBZXEUJHVCQOK-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84052;MM84052;C#CC#CC(O)CC=NO;MMNLADITRBZGAF-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84053;MM84053;C#CC=CC(=N)NNCC;UPQCUKSIJJKSHV-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84054;MM84054;C=NNC(CO)C(=O)C#N;GWCOZYVERJJDKR-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84055;MM84055;C=CC(CO)C(C)C(C)N;JUFXSLYTXVVWJM-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84056;MM84056;CCNCC(C)=CCNC;OKLAZSXAOVHDSQ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84057;MM84057;CC(=NOC=NN)N(C)O;DDFCOIVLWZLMON-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84058;MM84058;C=CCON=CCO;FVPPWDLSKSCYGL-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84059;MM84059;CCC#CC(=O)NC=NN;DRSJROWPVGRJCV-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84060;MM84060;CCC#CC(=O)NC=NO;DEZBGMZZZPQEDG-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84061;MM84061;CCC(N)C(C)CO;UQKCKPROSFGNIU-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84062;MM84062;CNCC(C)CO;QIMXXSHKYGRQBW-UHFFFAOYSA-N;103.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84063;MM84063;CC=NNC(=O)C#CCO;PNLLUXYEHUNYCB-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84064;MM84064;C=CC(=C)C(N)CNCC;OSHCETZWKOHDAE-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84065;MM84065;CCC(N)CNCCCF;IUYASUUKSCZDAO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84066;MM84066;CC(F)(C#N)C(=N)NO;RNXCPUNIXRFTSY-UHFFFAOYSA-N;131.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84067;MM84067;C=C(COC=NN)C(C)O;OGXDFSFKPJPSSA-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84068;MM84068;NN=COC(=O)C#CCO;IXPXMCDIJOZTHH-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84069;MM84069;COC(C)C(CCN)OC;QEDWDOBRSBDZBK-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84070;MM84070;CC=NOC(=O)C#CCO;PPTGGJLQHZABRP-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84071;MM84071;C=C(C#CC=O)CC=NO;AYQQNDWXINTYPM-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84072;MM84072;C=C(C#CC=O)NC=NO;BETBVZJWVZBTHY-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84073;MM84073;C=C(C#CC#N)NC=NO;APURVRBOHJEIKN-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84074;MM84074;C#CC(C=CF)C(C)NC;MJOYDSXAHQIQIV-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84075;MM84075;N=C(CF)NN=CCO;DZUVVMVUBAOXPZ-UHFFFAOYSA-N;133.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84076;MM84076;CC=C(CO)COC=NN;KMXRLWABHYVNNN-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84077;MM84077;N#CC#CC(=N)NC=NO;DHDFHIBKOJEXDB-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84078;MM84078;C=CC#CC(=O)NC=NN;ACZFAOJMQWTNMX-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84079;MM84079;C=CC#CC(=O)NC=NO;IWPALYHCGBADDH-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84080;MM84080;C=C(C#CC=O)OC=NO;MXDCDCPNQOWJNX-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84081;MM84081;C=C(C#CC#N)OC=NO;MRPYAWKFNFRQGQ-UHFFFAOYSA-N;136.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84082;MM84082;COCCC(CCN)OC;HKLGYLKIXHRTFO-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84083;MM84083;CC(O)C(C)C(N)=CC#N;BVSPDVKOBDVAIY-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84084;MM84084;C#CC#CC(=O)NC=NC;SQLUILOCJCZUKW-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84085;MM84085;C#CC#CC(=O)NC=NO;CCOKRBLPZKLSFT-UHFFFAOYSA-N;136.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84086;MM84086;OCC=CC(O)C=CCF;CNDOMXMGLBSZFY-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84087;MM84087;CCOCC(CCN)OC;FLFQFYPZBPNAPD-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84088;MM84088;C=COCC(CCN)OC;DYTDQZYRIVWAQI-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84089;MM84089;CC(O)CCOCCCN;RFHAISDLRZIDJC-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84090;MM84090;C=NOCC(CCN)OC;BZXBVHXFUMQOIV-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84091;MM84091;NCCCOCC=CCO;AOSUJRGWVQUDAG-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84092;MM84092;C=C(CCO)COC=NN;MZJSXSFGCOOCRD-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84093;MM84093;CNCCC(F)CCO;XLGMEXHQMUAGCK-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84094;MM84094;CCC(C(C)N)C(N)CF;IPZFFXGYLBHQBK-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84095;MM84095;C=CCCNCCCO;IBDKRVBETNIBFG-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84096;MM84096;NCCCOC=CCCO;LNYQBRROAJQQDM-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84097;MM84097;C#CC(CCNC)N(C)C;XDZKLAZRNVRBMN-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84098;MM84098;CC(C)C(CCO)C(C)N;JKTJTEQZMBIUAR-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84099;MM84099;C#CC(CN)C(CC)NC;KPYJVNDAOMPCRM-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84100;MM84100;CC(=O)N(N)C=CC(N)=O;KIIPJVRHBIEAFQ-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84101;MM84101;CNCCC(F)CCCO;LWYKPYAOAHPBLV-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84102;MM84102;C=NOCCC(=O)C#N;XUTGADKHZJJWGE-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84103;MM84103;NCCCOCCCCO;PJLOHVAAPSXEQI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84104;MM84104;C=C(C#CCCO)CCN;HNCDDWYVXUTBTJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84105;MM84105;C=C(C)C(C=CCO)CN;CGPDMNTXGKUFON-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84106;MM84106;C=NNCC(C#N)=CC#N;LTZSTRPWXKGOJC-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84107;MM84107;CCC(=CF)C(CN)CN;POZTVVWHHMYURH-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84108;MM84108;O=CC=CC(O)C=CCO;YUOPMKASQVFHAL-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84109;MM84109;N#CC=CC(O)C=CCO;JJEFJNJNTQBCAO-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84110;MM84110;C#CC(CN)CNCCC;NKPXWKZMACLSSB-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84111;MM84111;CN=C(CC=CCO)NN;FVFNIVMURWMMEA-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84112;MM84112;C=CC(C#CCCN)CN;OVBHWTRGICXMMZ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84113;MM84113;CC=CCNC(CN)=NC;NHJUXWQBXWXGCK-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84114;MM84114;C=C(C=CC)C(CN)CN;BJLUWHQJGNLKLM-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84115;MM84115;C=CC(=NN)C(C)CNC;JAYFVISRZZUGBT-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84116;MM84116;C=CC(CN)C(C)=CCO;UIMKRCPZJZOAPQ-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84117;MM84117;NCC(CF)CCCO;HCEGCJQTASERES-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84118;MM84118;COCCN=CC=CNN;VVLIAXOSMRBTHU-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84119;MM84119;CNCCCF;OMMBEQZVNCHVOJ-UHFFFAOYSA-N;91.13;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84120;MM84120;C=COC=NN(C)C=NN;QQQIXRQFRUDMFR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84121;MM84121;COCCCN;FAXDZWQIWUSWJH-UHFFFAOYSA-N;89.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84122;MM84122;CCNCCN;SCZVXVGZMZRGRU-UHFFFAOYSA-N;88.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84123;MM84123;C=NOC(COC)=NN;CJENHABGTHNELS-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84124;MM84124;NC=C(F)C=NOC=NN;LCRHOGQNJLBXEQ-UHFFFAOYSA-N;146.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84125;MM84125;C=CNC(N)=NNC=N;KCJBBAIJZYOAMP-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84126;MM84126;CC(O)CCC(CN)CF;MEIRZGMUKWJBES-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84127;MM84127;C=C(C)C(C)(C)N;ZBPZPZJQEGFHSB-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84128;MM84128;CNCCC(C)F;JCNWQAJOLZPZOZ-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84129;MM84129;N=CNC(N)=NN;WSYZPZTYFQOJLK-UHFFFAOYSA-N;101.11;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84130;MM84130;C=C(COC)COC=NN;UJQVTKIJZUZLIO-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84131;MM84131;C#CC=NNCC(C)C#N;IFVRDYRSWMBBOM-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84132;MM84132;CN=C(NN)NC(C)=NN;YJRHPZYOJKBNNA-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84133;MM84133;C=CC(C)ONC(=N)NN;QUSCJRKTUCGSCW-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84134;MM84134;CCNN=COCCCN;BFEAHXHROJAIJY-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84135;MM84135;CNN=C(C)OCCCN;CGLPBVRSFYJCKF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84136;MM84136;C=NNC(=CC#N)OC;NJFXAUYEQCJPTP-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84137;MM84137;N#CC(F)(F)CNC=N;VZANNUIJWMCCGR-UHFFFAOYSA-N;133.1;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84138;MM84138;CON=CN(C)N=CC#N;HKZQCTOCKWNQDK-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84139;MM84139;CC(F)C(C)CN;GZZWUFNRZMEUKY-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84140;MM84140;CCC(CN)CF;ISUQFBSWPJBNAL-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84141;MM84141;C#CC(=NC)NC;FECQWVBIUMZCRW-UHFFFAOYSA-N;96.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84142;MM84142;C#CC=CC(O)C=CCO;IIUWIKFRXXMBLO-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84143;MM84143;CCOCCCN;SOYBEXQHNURCGE-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84144;MM84144;CCN(C)C(=NO)OC;OCVHQLHOIPOPDQ-UHFFFAOYSA-N;132.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84145;MM84145;C=CN(OC)C(=O)NN;QKDNNACGRDVDDZ-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84146;MM84146;C=NNC(=O)C=C(N)NC;IUMIBXFSVKHIOX-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84147;MM84147;C=COCCCN;JPVNTYZOJCDQBK-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84148;MM84148;CC(C)OCCCN;VHYUNSUGCNKWSO-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84149;MM84149;C=C(C)OCCCN;MYIJLLKKHKBDQP-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84150;MM84150;C=C(C)N(OC)C(=O)NN;UNCFNTCNBKRFKV-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84151;MM84151;CC(=O)OCCCN;SCLGGNBFBLJQFU-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84152;MM84152;C=C(C#CC)CCN;FTMAHPLOQMYKKC-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84153;MM84153;CCC(F)C(C)CN;FNNJXVCYZOTKOX-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84154;MM84154;CC(CN)C(F)CF;NMLZUHFVWYQOCZ-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84155;MM84155;CCC(F)CCNC;RWTUUOLSNVDFIU-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84156;MM84156;CCCC(CN)CF;MIIWBZUJILUBRJ-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84157;MM84157;C#CC(CC)CNC;LNRHBXNKSUMBAK-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84158;MM84158;NCC(C=CF)CN;HVPOXVVNNVVBOX-UHFFFAOYSA-N;118.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02769;MM02769;CN(C=CC=O)N=CC#N;AMGFMXJOESQKOK-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01965;MM01965;CN(C=CC#N)N=CC#N;CVCNUMNRDAXCER-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84159;MM84159;C=CC(C=CF)CN;GHLSMSALQDYUNL-UHFFFAOYSA-N;115.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84160;MM84160;CN(C=NC=O)N=CC#N;PGSFSSPZURWEOC-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15488;MM15488;C=NN=CN(C)N=CC#N;KXNNEPIRJBNQDI-UHFFFAOYSA-N;137.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84161;MM84161;CC(C)C(CN)CF;UJVONILAIYOTQR-UHFFFAOYSA-N;119.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84162;MM84162;C=C(C)C(CN)CN;PCFORIRERPSEGL-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84163;MM84163;C=CC(CN)C(=C)C;ZVUBQNWTFLECTM-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84164;MM84164;CCCOCCCN;UTOXFQVLOTVLSD-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84165;MM84165;C=CCOCCCN;NIGGRFSYIUCXTE-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84166;MM84166;CC=CN(OC)C(=O)NN;MTGPCUGOIMKBGB-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84167;MM84167;C#CC(CN)C(C)(C)N;OOEJMLZZNWGLMA-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84168;MM84168;CCC(C)(CNC)NC;WMYTZAJECXRAQB-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84169;MM84169;CC(F)COCCCN;HTPIENQSDOBYNS-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84170;MM84170;C=CC(NC=N)C(F)C#N;RXKPIBLBDHZHAP-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84171;MM84171;CNN=CN(C)N=CC#N;YEBDWIQYOYBMQC-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84172;MM84172;C=CN(C)C=NCC=NO;GJSZAYZZIOZLJU-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84173;MM84173;C=CCN=CNC(C)=N;DZOYPQZCBYDGRQ-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84174;MM84174;CNC=CC(=O)C=CC#N;FSLZSDCWXLIPTC-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84175;MM84175;CC(C#CCO)C=CCO;WWNUOOQJVKGLOC-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84176;MM84176;C#CC(C)(O)C(C)=NN;PVZXBKNQBCSDTO-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84177;MM84177;CNCCC(F)CCF;WEJRGSSAGGZALI-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84178;MM84178;CCN=C(CC=NO)NN;GBQPYAQCYBFSOS-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84179;MM84179;C=CC(C=C)(C=NO)CN;DKBYQWWXEKOLKF-UHFFFAOYSA-N;140.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84180;MM84180;C=CC#CCNNC(C)=O;UVHZKRVMUZIYCR-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84181;MM84181;CON=CC(O)C#CCF;CGQUZKCZXQCOJS-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84182;MM84182;CC(C#CC#N)C=CCO;NARHPZPXZUJTLI-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84183;MM84183;CNCCC(F)CC#N;JVVCRHIACKEDRR-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84184;MM84184;CC(N)CCC=NO;UTEYMRBMZNFTHN-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84185;MM84185;C#CC(O)C(C)=NNCC;AAZPJCOLJHKALB-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84186;MM84186;O=CC#CC(O)C=CCO;SUPWOOAVEFHPHM-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84187;MM84187;COC=CC(O)C#CC=O;GTPPGOCAJKJMMK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84188;MM84188;COC=CC(O)C#CC#N;PAWKFLSJGIOYPT-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84189;MM84189;C=NOC(=NN)C(C)O;JYQRCNCQGXHKCR-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84190;MM84190;CNN=CC(O)C#CC#N;FVENZGCNFHXLSF-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84191;MM84191;NCCCC=CC=NO;ZXVTYPZHMAERMH-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84192;MM84192;C=C(C#CCF)CCN;OFTKLBOAOGZTFO-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84193;MM84193;CON=CC(O)C#CC=O;GPYSHJXRGJLOKP-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84194;MM84194;CON=CC(O)C#CC#N;XMLBPVPVNSDFBB-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84195;MM84195;C#CC#CC(CO)ON=C;DTXYEJZVZRFVCH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84196;MM84196;NN=CC#CCC(F)CO;IEZMAJILJWODAU-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84197;MM84197;C#CC#CC(O)C=CCO;ZLPWJQWPITVYLD-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84198;MM84198;C=C(C#CCO)C(C)CN;FTGNAAZOFNZVCT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84199;MM84199;C=COC(C)=CNC=N;QFNSGTMBFQILCJ-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84200;MM84200;CC(C)C(F)C(C)CN;JEPRGYGXKWFQHH-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84201;MM84201;CNN=C(C#CC#N)NO;YZABJLNEDBDNIW-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84202;MM84202;N#CC=CC(O)C#CCO;PSKSELNXFYEWQA-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84203;MM84203;CC(C#CC#N)C=CC#N;GYWDVICCUMBBMK-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84204;MM84204;CC(O)C(C)OC=NN;KQFSQMVQWMMXRW-UHFFFAOYSA-N;132.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84205;MM84205;CNC(C)C(C)C#CCO;VNRKRXCITCVYBG-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84206;MM84206;C#CC=CC(O)C#CCO;XDLKUUVKJJNSES-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84207;MM84207;CN(O)C(=NN)OC=NN;WOMSJCYKXQSJCS-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84208;MM84208;C=CC(CN)CC#CCO;DHKQVUYTCSSMMT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84209;MM84209;O=C(C#CCO)C=CCO;BMUPIIWSGVCTBL-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84210;MM84210;COC=CC(=O)C#CCO;NGZUVLIHDNRZAQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84211;MM84211;CC(CF)OCCCN;FOFOHRFHKAIUEI-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84212;MM84212;CCC(=N)NC=C(F)CO;CHAUNKWEKPVLLL-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84213;MM84213;CNN=CC(=O)C#CCO;KKCWECAMKRSRTI-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84214;MM84214;CON=CC(=O)C#CCO;UNURIQPFIGCMHV-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84215;MM84215;C#CC(C)OCCCN;AAKIFPNXKUGTQB-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84216;MM84216;O=CC#CC(=O)C=CCO;IRYHKPKNMBHJEZ-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84217;MM84217;N#CC#CC(=O)C=CCO;GOBWUWXPHXFHNO-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84218;MM84218;CNC=CC(=O)C#CC=O;BZYUUALZJAARHJ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84219;MM84219;CNC=CC(=O)C#CC#N;PETXJZBTWQVVSX-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84220;MM84220;C=CC(CCN)=C(F)CO;OODPUYDZUMBLNR-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84221;MM84221;C=C(C#CC#N)C=CC#N;BGJLKEMIJFEKMG-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84222;MM84222;CCC(=O)OCCCN;HXLBLZBUASUGOT-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84223;MM84223;C=CCC(CO)OC=NN;ZVJIEGRXQVIBEU-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84224;MM84224;CC(C#CCO)C#CCO;BVFWBFRBCGPTRP-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84225;MM84225;C=CC(O)C(C)(N)C(C)C;VAZPGABYUPKGEK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84226;MM84226;N#CC#CC(O)C#CCO;IFVJQYNTNKAAHV-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84227;MM84227;N#CC#CC(O)C#CCF;WLNUFFYKBTVYGQ-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84228;MM84228;COC(=O)OCCCN;YMANJZXMTDRWJR-UHFFFAOYSA-N;133.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84229;MM84229;CCC(CO)OC=NN;GUIJNPPQXSRIMX-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84230;MM84230;CC(C)(N)C(C)(C)O;OZSQDNCDEHVGBC-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84231;MM84231;C#CC#CC(O)C#CCO;BEJIRUHOVTVPLL-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84232;MM84232;CC(C#CC#N)C#CC#N;UYBNCNFTDVZLIW-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84233;MM84233;O=CC#CC(O)C#CC=O;KIPMEFKKEAVUTG-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84234;MM84234;N#CC#CC(O)C#CC#N;OVWRJQKTGOIRPI-UHFFFAOYSA-N;130.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84235;MM84235;C#CC#CC(O)C#CC=O;DUOVONFRLNVGIB-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84236;MM84236;CC(=CF)OCCCN;DWNSCZCZSABXCF-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84237;MM84237;C#CCC(O)C(C)CNC;RYCMYNINMVYWPL-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84238;MM84238;C=C(C#CCO)C#CCO;GDHNFUXELISUGW-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84239;MM84239;C=C(C#CC=O)C#CCO;LBJYERRXLUKWSG-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84240;MM84240;N#CC#CC(=O)C#CCO;BMPXAMUHEOFGOF-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84241;MM84241;C=C(C#CC#N)C#CC#N;YOLLFEDVPODWJL-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84242;MM84242;O=CC#CC(=O)C#CC=O;BVNZZQXVCVQBFC-UHFFFAOYSA-N;134.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84243;MM84243;N#CC#CC(=O)C#CC#N;FKCCUGMGEIIJTJ-UHFFFAOYSA-N;128.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84244;MM84244;CC(CN)C(F)CCF;DSUCGYLFGAMBGS-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84245;MM84245;COCC(F)C(C)CN;LKNHAEFXQWSPBQ-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84246;MM84246;C=CCC(F)C(C)CN;ZBBZUDHVDCGNIS-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84247;MM84247;CCNCC(C)(O)CCF;LPXKQRMDNBZSCO-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84248;MM84248;C#CC(CCF)CNC;UTQMYOJKJOFGHW-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84249;MM84249;C#CC(=CCF)CCN;ILIHTTDUBFWPSZ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84250;MM84250;C=CC(OC)C(C)CN;KOLDLMXMBIHQHL-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84251;MM84251;C=C(CC)C(CN)CN;PZIKYDCYGLYOGH-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84252;MM84252;CC=C(C)C(CN)CN;UQQYZHMIRWYSQN-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84253;MM84253;CC(=CF)C(CN)CN;CLQZZMPERNPNFE-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84254;MM84254;COCC=C(C)OCCO;YMIIYXCEVAKKOC-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84255;MM84255;NCC(CF)CCCF;PKGLJYISPXDSMN-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84256;MM84256;COCCC(CN)CF;PVMVGTCDRAWWBQ-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84257;MM84257;C=CCNC(CN)=NC;UNJNOEYMPZHHSF-UHFFFAOYSA-N;127.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84258;MM84258;C#CC=CC(CN)CN;NZKAPZYKCNUPCD-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84259;MM84259;COCCC(F)=CNC=O;TUCHRUREDCZAKC-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84260;MM84260;CNCC(C)C(O)C(C)C;MNVKZWDWHUKRSL-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84261;MM84261;CNC(=NCCO)NO;YLVNOMYVPLDLIA-UHFFFAOYSA-N;133.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84262;MM84262;CNC(C)C(C)(C)O;SOHFMOBBZSGBFW-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84263;MM84263;CCOCON=CCC=O;JHGNFXJVLKYBGB-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84264;MM84264;COCCC(C)=NNC=O;HKPUOFUIWCZBDW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84265;MM84265;CCC(N)(CC)CO;RJICLMDXEDUMAK-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84266;MM84266;CNN=CN=NC=CNO;PUWLFERMEGBISF-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84267;MM84267;CC(C)(CO)NCCCN;ZNHVGXSSQYFYHN-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84268;MM84268;CNC(CO)C(C)C;VUJGKDVZMCDYDE-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84269;MM84269;CCOCOCCCN;NXPSSVRXFZOPBI-UHFFFAOYSA-N;133.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84270;MM84270;CC(=CCC#N)OCCO;ODWCPLWHZGMJNO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84271;MM84271;CCC(N)CC(C)(N)CF;KFNXQIADVWXOOG-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84272;MM84272;CC(=NNC=O)OCCF;KGCLUXFWEXJPML-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84273;MM84273;CN=C(C#N)NC(C)C=O;QMNQTYSDSAPWQN-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84274;MM84274;CN(C=N)NC(C)(C)C#N;JAWHJTLZCYIDMM-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84275;MM84275;C=CC(CO)C(C)NC;VPSKJWJXQFSVJE-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84276;MM84276;CNC(C)(C)CC(C)=NN;ZPSNKAREZDKZQF-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84277;MM84277;C=C(CC)C(C)(N)CCN;LYTGEEJPHHGORB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84278;MM84278;CNCCC(F)CC(C)F;IRKNYKZSVXQBFQ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84279;MM84279;CNCCC(F)CN(C)C;RJAHGIZHFRRYFI-UHFFFAOYSA-N;148.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84280;MM84280;CC(=CCCO)OCC#N;GZXODJGHZZSHDM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84281;MM84281;COCC=C(C)OCC#N;KFZSMGKSZKUUIJ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84282;MM84282;C#CC(C)C(CO)CNC;AMXVRTHAWBFLQV-UHFFFAOYSA-N;141.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84283;MM84283;C=C(C)CC(F)CCNC;LQHSWQANBVOHMG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84284;MM84284;CCON=C(C)ONC=O;DWOAOVMJMSPVEX-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84285;MM84285;CC(=CCC#N)CCC#N;CEVFOUWOCFYTFM-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84286;MM84286;C=C(F)CC(F)CCNC;ZYOUOAZVPOFLPB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84287;MM84287;COC(C)(C)OCCCN;DDWISJLQVKYVCI-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84288;MM84288;C=CC(C)(N)C(F)CCN;WGGKWPSEKNIBBB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84289;MM84289;C#CC(C)(C)C(N)CNC;QOEIWUMLEIQWOR-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84290;MM84290;O=CCC=C(F)CNC=O;RHRSUQKCHYQFFL-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84291;MM84291;CCCC(F)(CN)CCN;LGEMLKNSZISUGD-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84292;MM84292;C=COC=C(F)CNC=O;LIQWRGJJFJSOMH-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84293;MM84293;C=C(C=O)NC(=N)N(C)C;LPGPEISTAAKDLW-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84294;MM84294;CC(N)C=CC(N)CCF;GRLUKNCRCRCVMD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84295;MM84295;C#CC(CC(C)=O)=NNC;IGAQTEANTRWDCD-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84296;MM84296;CC(CCC=O)=NNC=O;LSODJIWCUYGJGC-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84297;MM84297;CC(CCC#N)=NNC=O;MCCGBZDJKYXBLL-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84298;MM84298;CC(CF)NN=C(N)C=O;ZCVIJTZLUALQPE-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84299;MM84299;CC(=O)ON=C(N)CC#N;SQOUMQMERPSUHX-UHFFFAOYSA-N;141.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84300;MM84300;CCC(=NN)OC;SNEHGFNFTPWKFD-UHFFFAOYSA-N;102.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84301;MM84301;C=CC(C)C(C)NCCO;SGKJPFXQGLOOCJ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84302;MM84302;C=NNC(=O)CN(N)C=O;ODJHGFKACDMNKO-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84303;MM84303;CC(=NNC=O)NCC#N;RJPUTXGQUMACJV-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84304;MM84304;CC#CC(O)C(C)=NNC;SJVFANYAGCNJCZ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84305;MM84305;C#CC(C)NCCC(C)N;WZQREXQKWCQHOB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84306;MM84306;CC(=CNC=O)OCC#N;IWGQNTNSHKIGPK-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84307;MM84307;CC(=COC=O)OCC#N;XQRHNXMWABKNOB-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84308;MM84308;C=CCC(CCO)NC;CAUBWWUSQQBAPH-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84309;MM84309;NNC(=O)C=CNC=O;VSFPVKUHWOTUPT-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84310;MM84310;CC(=NNC=O)OCC#N;FPSCYFKFNPKVKT-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84311;MM84311;C#CC(CNC)CC(C)F;GUTJCJPZSRXBGJ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84312;MM84312;CC(F)=CC(C=CF)CN;URYCXRXBCGBSNZ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84313;MM84313;C=C(C)C(=NC)NN(C)C;PHNZDWXIJFXFAJ-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84314;MM84314;C#CCOC(C)=CNC=O;DGRPFZWSCISWNV-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84315;MM84315;C#CCOC(C)=NNC=O;VXKXKLAUZGIXAP-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84316;MM84316;CC(C)OCOCCCN;CYZYGXQPTFUWJP-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15408;MM15408;CC(=CC=NO)CCCF;CKQZQDYMDMHKMK-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84317;MM84317;C#CCOCC#CC(=N)N;UVSTVJVITAJWGD-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84318;MM84318;C#CC(=CCO)C(C)CN;MRCARMZLRZNHNF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84319;MM84319;CNCC=CC#CC(=N)N;JEOHAFCADFDHER-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84320;MM84320;CC=NOCC(C#N)C=O;JXDXUCHMAOUPIY-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84321;MM84321;C#CC(=NN)C(CO)CO;PTEAFNRTOFNBKZ-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84322;MM84322;CON=CCOCCCO;FYEZISGHIDTYTK-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84323;MM84323;COCON=CCC(C)=O;HCSIYRSPMBCSOP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84324;MM84324;COCC(C)OCCCN;KRFFDNVOHOVALI-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84325;MM84325;C#CC(F)C(=N)N(C)N=C;DECKLKIOXRXBJA-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84326;MM84326;C=CC(C=CCO)CN;ZZOHBVPOIWSKLW-UHFFFAOYSA-N;127.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84327;MM84327;C=NN(C=NNC)CC#N;SATFCGBXVPLQMS-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84328;MM84328;C=NOC(C=NNC)=NN;UHCCGKLZLABHKS-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84329;MM84329;CNN(C=O)C(=N)CC#N;GZFGSGDCWWNHGQ-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84330;MM84330;CC(=NC=NO)NCC#N;VAYYHJPLRQIPFR-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84331;MM84331;NCCC(C=CCO)=CF;SPKOWYQMEWZXFA-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84332;MM84332;C#CCNC=NN=CC=O;ZJHHHTWNUUTGPV-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84333;MM84333;COC(C)=NN;OVQDIQJUAXPGTE-UHFFFAOYSA-N;88.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84334;MM84334;CC(=CC=NO)OCC=O;HRWWXECXXHJKSQ-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84335;MM84335;CC(=CC=NO)OCC#N;FGWPSTKYLSOYFJ-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84336;MM84336;C=C(COC)OCCCN;IXHJDEFPGBATEE-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84337;MM84337;N#CC(=N)NC(=N)OC=O;GFAPTGQDSXCJDU-UHFFFAOYSA-N;140.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84338;MM84338;N#CCOC(N)=CC=NO;LVQPZWPATFAPPG-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84339;MM84339;CC=NN=C(C)OCC#N;AYTBRMHOTWBSJO-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84340;MM84340;C=CC(C=CCCO)CN;RTQBNTASTQXVMJ-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84341;MM84341;CN=C(C=O)NCC#N;BXIUWKSBMMRZQG-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84342;MM84342;C#CCNC(C)=NC=NO;GMDSBFDPTRPGLC-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84343;MM84343;C#CCC(=O)OCCCN;DNVZMEBLUMQLRM-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84344;MM84344;C#CCC(=N)NCC=NN;RWAASELLYIXLBD-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84345;MM84345;NCCCOC(=O)C=CF;MHRYMNDZESELKR-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84346;MM84346;CC(C#CC=NN)NC=N;HBRPAEBQLZAVSX-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84347;MM84347;C=CC(CN)C(C)N(C)C;IINFOLNYTUDPMU-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84348;MM84348;CCNN=C(C)CC=NO;SYKHUGJLIDQRKT-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84349;MM84349;C#CC(C)(O)C(F)C=NN;LNJPDHGVUVAOPN-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84350;MM84350;C=NNC(=CC#N)NC=O;SNQWJNJXHSXLLQ-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84351;MM84351;C#CC(=N)N=C(NC)NN;ALVKVZJBFYPFOW-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84352;MM84352;CC(=NNC=O)NC=CF;YVXXRVSJBLADNE-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84353;MM84353;CC(=CCC#N)OC=NO;XBHSYQXCTRNVOB-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84354;MM84354;CC(=COC=O)OC=NO;LDZUXVWBKQSCQY-UHFFFAOYSA-N;145.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84355;MM84355;C=CC(C=CC(C)O)CN;MPFLXLCEULKCFW-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84356;MM84356;CC=NOC(C)=NNC=O;XETPQXDVEWCZHL-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84357;MM84357;C#CC(C=C)C(CO)=NN;MEPJIJXKBFLGOK-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84358;MM84358;CNC(=N)NN=CCN;STPVNLCONJBWJT-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84359;MM84359;C#CC(=NNC)NC(=N)N;ZQUAMHFAYHDWQA-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84360;MM84360;CON=CCOC(C)CO;CIKVKTNDPLYZGU-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84361;MM84361;CCCONC(=N)N(C)N;MXHNGAQPXSEUAO-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84362;MM84362;NN=COC(N)=CC=NO;KZMXRAVJHHWTTQ-UHFFFAOYSA-N;144.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84363;MM84363;CC(C)ONC(=N)NN;QGHJLNYIMYSVFD-UHFFFAOYSA-N;132.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84364;MM84364;CC(C)=C(C)C(CN)CN;GOVDLCXIYIVOKA-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84365;MM84365;N#CCC(C#N)=CNC=N;UGDWAEKQBQGCFY-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84366;MM84366;C=C(C)C(=O)OCCCN;SNCMCDMEYCLVBO-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84367;MM84367;N#CC(F)C(=N)NO;KKRMCWZYJSOVHO-UHFFFAOYSA-N;117.08;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84368;MM84368;CON=CC(F)=CNC=O;DOLARZHIRGOPQU-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84369;MM84369;CN(C)C(=N)NOC=O;HCMXLEXTIVXTEB-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84370;MM84370;C#CC(C)(CN)CNCC;OVPVUTSEDQSELZ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84371;MM84371;CC(=O)C=CN=CN;NICHBAUDIXZWRJ-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84372;MM84372;C=CC(C)NCC(C)CN;AYYKBORDCSFTCI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84373;MM84373;CON=CC(C)=NNC=O;MJOORIVQRQCGSB-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84374;MM84374;CC(C=CC=O)=CCCF;TYFORHBSXZITEO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84375;MM84375;CC(C=CC#N)=CCC#N;YXQWFAJNBUOTNQ-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84376;MM84376;N#CC(=O)OC=CNC=N;UQKYOYLWYTWSIH-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15391;MM15391;C=NN=CC(C)=NNC=O;WFODKHDGULCXRQ-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84377;MM84377;C=CC(CN)CN(C)CC;JQSWUBBXOBPPCK-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84378;MM84378;N#CCOCONC(=N)N;BZOUDWMTLUKDPH-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84379;MM84379;N#CC=CC(N)=CC=NO;WKJXALMUZGRVJY-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84380;MM84380;CCC(F)=CC(CN)CN;VABNMYYWCAHPKO-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84381;MM84381;CCC(C)C(F)C(C)CN;BLOSYDSAGKYPLC-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84382;MM84382;N#CCCC(=N)NCC#N;CYSXFTSBXXFCHA-UHFFFAOYSA-N;136.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84383;MM84383;C=CC(C)C(F)C(C)CN;AZDMNXUACUOMMU-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84384;MM84384;C=NNC(=CC#N)C(N)=O;MIQZYRDCVYTXKQ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84385;MM84385;C=CC(=C)C(N)C(C)NC;IJUDAESKOWHZNF-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84386;MM84386;CNCCC(F)CCCF;PCZUISKXSKGQCY-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84387;MM84387;C=NNC(=N)ON=CCO;LMUCHYWGNDDTLQ-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84388;MM84388;C#CC(=C)N(N)C(=O)CF;SBRZHMFWVCACFA-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84389;MM84389;CNCCC(F)CCC#N;BNIBDCHCLUDLSM-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84390;MM84390;C=NNCC(F)CCNC;DKPCKQYRJOWVFF-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84391;MM84391;CC(C#CC=O)=CNC=O;WYJXSTQTFFXMNI-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84392;MM84392;C=NOCC(F)C(C)CN;KBRQXLQCZLJFLA-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84393;MM84393;O=CC#CC(F)=CNC=O;YTRUCYWVADSSSR-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84394;MM84394;C=CC(C=C)C(N)C=NO;MGMGHMTVTWPORO-UHFFFAOYSA-N;140.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84395;MM84395;CNC(C)C(C)C#CCF;FWRROFSHDADACZ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84396;MM84396;CC(C#CCO)=CC=NO;AHBNOUYKEVEVDW-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84397;MM84397;NC(C#CCF)=CC=NO;JANLYMJNEQBCGZ-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84398;MM84398;NC(C#CC=O)=CC=NO;KDFCZLORMAVESF-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84399;MM84399;CCC(N)CCNCCF;NFDDARPCJQDERU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84400;MM84400;CNCCC(=NO)OC;ANLHVVYEMGCCJZ-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84401;MM84401;COC(C)COCCCN;UYEGFNZIOYZMRD-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84402;MM84402;C#CC(F)COCCCN;CXXPMFJQMBLTKP-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84403;MM84403;C=CC(NCC)C(C)CN;RQLLWWVJICTZSK-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84404;MM84404;C=CCC(CN)COC=O;QAUBBQFEWBZINB-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84405;MM84405;C#CC(CCCF)CNC;NIHLMCVSDNLREN-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84406;MM84406;C#CC(CCC#N)CNC;DXCPXLFTTKZMHP-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84407;MM84407;C#CCCC(C#C)CNC;VPPJWOVYBOOYTK-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84408;MM84408;C=CC(CCO)OC=NN;JFJRRHRFFQPYNE-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84409;MM84409;CC#CC(CCNC)NC;BTBSBAFFAGANSI-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84410;MM84410;CC(CO)C(F)CCCO;UXKQTPGVDSJTAS-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84411;MM84411;C=CC(C(=C)F)C(C)NC;OVVPWHCMWFHIHH-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84412;MM84412;C#CC(C(=C)C)C(C)NC;XSDJTQBSPBTJAU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84413;MM84413;CNC(=N)N(N)C=NO;RZXFRARZGWPJPE-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84414;MM84414;CCCCC(F)C(O)CO;CNSDJPKSMRQQSH-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84415;MM84415;C#CC(C=C)C(C=C)CN;IJCPSUUKZQCGIP-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84416;MM84416;NCC(CF)CCOC=O;PBUHZMMPSHINEV-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84417;MM84417;C=NOCCC(CN)CF;RRKQRIOKIIXMII-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84418;MM84418;C=CC(OC)OCCCN;VSXMQDKTYFCYNJ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84419;MM84419;C#CC(C#C)OCCCN;BCCQPBWMVAPJPN-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84420;MM84420;CNC(=CC#N)CCO;APKAXYJBDKDEEJ-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84421;MM84421;NCC#CCC(CN)CF;VJHNIBDBVLFRGC-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84422;MM84422;COCCC(C)C(O)CO;OYQVUUNVVOHZEN-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84423;MM84423;C=CC(C=COC=O)CN;GLZLPKDCCYXXDW-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84424;MM84424;C#CC(C=C)C(N)CNC;RZHVTZQOXLUARM-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84425;MM84425;COC(C=NN)=CC(N)=O;INMYVPHMHBONAA-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84426;MM84426;C=C(CCC)C(CN)CN;OHCGAGDGQLPINS-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84427;MM84427;C=C(CCF)C(CN)CN;NYEGYIGQABLLBB-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84428;MM84428;C#CC(O)C#CCCCN;FDTHQQJQEMPKFD-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84429;MM84429;C#CC(O)C(F)=CC(=N)N;HOKFMOGNFCXYRA-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84430;MM84430;C=CC(C#CCO)CCN;GEMSEEAAQAWCII-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84431;MM84431;C#CC(C)=NNCC=O;FCQQIBQAOUDIQZ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84432;MM84432;C#CC(O)CC(C)C(C)N;RXNXSPKZYIRUIQ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84433;MM84433;CCOCC(O)C(O)CC;ALDJTCIKRVMSPG-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84434;MM84434;C=CCC(=C)C(CN)CN;HQTYHIVXRIXPFI-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84435;MM84435;C=NNCC#CC(=O)CF;QHHVVPVYDCMYQY-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84436;MM84436;CCOCC(O)C(C)OC;GAWAOVDSULTPTH-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84437;MM84437;CC(CN)CF;SZZMKINPSFOMSO-UHFFFAOYSA-N;91.13;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84438;MM84438;CNC(C)CN;GINJNNGWMNSBIG-UHFFFAOYSA-N;88.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84439;MM84439;C=CC(C)(N)CC;XPCLPRGWHXAORE-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84440;MM84440;C#CC(C)CNC;COLHAGFIFRRGJH-UHFFFAOYSA-N;97.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84441;MM84441;CC(N)C1(C)CC1;DOAMTLHAIDSDBV-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84442;MM84442;C=CC(CN)CN;RAVQMRJHGBPJBZ-UHFFFAOYSA-N;100.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84443;MM84443;C=CC(C=C)CN;KRDPGGQNQJRERU-UHFFFAOYSA-N;97.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84444;MM84444;C=C(F)C(=C)CCN;DNDQMQMPLQEVKO-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84445;MM84445;CC(N)C(C)CC(O)CF;IHAZYRVDLDJSPW-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84446;MM84446;CC(F)C=NNCC=O;OAOPCKOHOUZTQH-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84447;MM84447;N#CC(=CN)CCCCO;BEJGTOYBZOUOFP-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84448;MM84448;CCC(O)C(C)OCCO;SMKXSHZYUPUPQF-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84449;MM84449;CCCOC(C)C(O)CO;XMDPUQIUMJFFCH-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84450;MM84450;CON=C(NCC=O)OC;BNEDUHNODRAVJC-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84451;MM84451;CN=CN(C)C(C)=N;MBKCIKOJVJJGHT-UHFFFAOYSA-N;113.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84452;MM84452;COC(C)C(C)CN;RFPOFUVDPPCTPM-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84453;MM84453;C#CC(=N)NC=CC;KBBYCFZNCGMGTG-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84454;MM84454;CC(CCC=O)C(O)CO;WZNCZLHDCWEVSD-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84455;MM84455;CC(CO)CC(C#N)=CN;SZYHJLOWQZREBQ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84456;MM84456;CC(O)CCC(C#N)=CN;YPYOGOJVLCXUMP-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84457;MM84457;CCC(O)C(O)CCC#N;RZTFRJYKZCNKJJ-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84458;MM84458;CC=CC(CN)CN;PURWFVNXZCWDDJ-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84459;MM84459;C=CC(=CF)CCN;CMOFKUCBYHOWNV-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84460;MM84460;COC(C)C(O)CCC=O;ZJMKMJNBAVYCSY-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84461;MM84461;COC(C)C(O)CCC#N;SJYGENBLBUSOSO-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84462;MM84462;CC(=O)CNN=C(N)C=O;PRIBKHSCQRGWQQ-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84463;MM84463;CC=NN(C)C(=NN)OC;KKIMNXRDYPLFSA-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84464;MM84464;C=NNCC(C#N)=CF;WJTDJLPAEBDRIU-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84465;MM84465;COCC=CN(O)C(=N)N;AYELTSOZJBRAIE-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84466;MM84466;C=CCCNCCN;BIVHRVFJIFEZEL-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84467;MM84467;CC=NOC(C)=NN;BATWKGYAPYHXBM-UHFFFAOYSA-N;115.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84468;MM84468;CCC(N)CCC(O)CO;DHDNESVUWLXWBJ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84469;MM84469;NCCC#CCCN;USFNGVOJZNIBGS-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84470;MM84470;CCN(C=N)CC#CCO;ICZQXHPVHMCFGV-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84471;MM84471;CC(C)C(N)C(C)(C)N;XXYQXWQZPJHMGC-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84472;MM84472;CNCC(C)(F)CCN;WGTBPSILOGGHSH-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84473;MM84473;C=NNC(C)=NOCC#N;HAPWKUOWACGLNA-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84474;MM84474;COC(=NN)C(C)C;FTKMAAXLHKSPHZ-UHFFFAOYSA-N;116.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84475;MM84475;C=C(C)C(=N)NC(C)=N;ALSAQWUYZJTVBK-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84476;MM84476;CCCC(C)(O)C(C)NC;PGPWMTIARBVRFG-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84477;MM84477;CC(CO)C(C)OCC#N;SLJPISKOKRUMIV-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84478;MM84478;CC(OCC#N)C(F)CO;MMFFZECTYPHQSC-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84479;MM84479;COC(C)C(C)OCC#N;IJDDUEFVOHXNLF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84480;MM84480;C=CC(C)(N)C(C)CN;XGLGZXDPBXUEDN-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84481;MM84481;CNCCC(C)(F)CF;UTBFATXVVIVHKT-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84482;MM84482;C=CC=CCN(O)C(=N)N;GSVQMXOJURSQHK-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84483;MM84483;C=CC(C)C(C)(N)C(C)O;IRGFWZJIBOQPFQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84484;MM84484;CNC(C)C=CC(C)N;HLNDSLKEBINXFK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84485;MM84485;C=CC(=NC)NN(C)C;JLNNEJQLTHURSS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84486;MM84486;CC(C)=CC(CN)CN;KXVRHNJACRRRIX-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84487;MM84487;C=CC(O)CC(C)C(C)N;OMKHXPILVLTJJY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84488;MM84488;C=C(C)CCNCCN;MTGSVQGKBAGDJI-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84489;MM84489;N=C(N)C(=CF)CO;KUDUPWNBLVAJHW-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84490;MM84490;C=C(CCN)C(=CF)CO;PPEWHMUTTSCQGM-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84491;MM84491;CCNCC=CC(C)N;DQKRHEYMWHOZOR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84492;MM84492;N=CN(N)C=CCCF;QSKDXFJEMPLBSA-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84493;MM84493;CC(CCCO)C(O)C#N;XJVYMLITBTYNGD-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84494;MM84494;CNC(C)C(F)CCN;GYHINMKYNDCFSJ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84495;MM84495;CNC(=N)C#CC=CCO;VBYXWDGCXCAKNI-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84496;MM84496;CC(CN)C(C)OC=O;KAXAMPLLVZCKQP-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84497;MM84497;CC(O)CC(=CF)CCN;XVNKZFVFZBTIEL-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84498;MM84498;C=NOC(C)C(C)CN;JDSWONUTQCWVQF-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84499;MM84499;C=CCN(C)N(C)C=N;UYLUVVAWEIKRAW-UHFFFAOYSA-N;127.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84500;MM84500;C=C(CCN)C(=O)OC;AYPJBYKXNYZEBX-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84501;MM84501;C=NNC(C=O)=C(N)C#N;NIDJZGQFBWBMGY-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84502;MM84502;COCC=NNCC#N;CCRGJFUYYAYYRJ-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84503;MM84503;CC(=CC#N)N(C)C=N;RHYSUFSQZOEHDA-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84504;MM84504;NCCC(C=CF)=CF;MFSZJNJZPDADCS-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84505;MM84505;CC(F)C(=CCO)CCN;KVXVPOPTLRVBMN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84506;MM84506;CC(CCN)=C(F)CCO;QXQPLJWIPBUSQO-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84507;MM84507;C#CC(CNC)C(C)C;ZMWGCTAYPXCJPW-UHFFFAOYSA-N;125.22;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84508;MM84508;C=C(C)CCNCCCO;XRMQGSWFLVSGRW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84509;MM84509;COC(CF)C(C)CN;FTNCYQRTFFLJHV-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84510;MM84510;CC(F)=C(CCN)CCO;CDHDMBQBXAWYOJ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84511;MM84511;CC(OCCO)C(O)C#N;TUDOPDYFPOHEIW-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84512;MM84512;C=CC(O)C(C)OCOC;YUVPYDZKTQNECN-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84513;MM84513;COCOC(C)C(O)C#N;GXAYUQQQZZJYSD-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84514;MM84514;CCN(CC)N(C)C=N;UKXHZJNRNVAOMH-UHFFFAOYSA-N;129.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84515;MM84515;C#CC(CCNC)NC;NPYHQLSTPAVRPP-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84516;MM84516;C=NNCC(N)=C(F)C#N;SORAYOQXIKKNSE-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84517;MM84517;CCC=CC(CN)CN;XWWRZGCBZMLQFO-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84518;MM84518;C=CC=CC(CN)CN;VNMALTCXSFZHQK-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84519;MM84519;C=CN(C=N)C=CC=O;FZDJBXRJLRNLNF-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84520;MM84520;CC(N)C(C)CCO;ARPFQJSOTZIOMN-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84521;MM84521;NCCNCCC=CF;YXICZKHHFPRRDE-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84522;MM84522;CC(CCC=O)C(O)C#N;IRZVGOPLHRQIMS-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84523;MM84523;CNCC(C)(N)C=C(F)F;AIFPDFDAZKPOTL-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84524;MM84524;N#CCCC(O)C(O)C#N;MUFNKLRWYFWYDA-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84525;MM84525;N#CCCC(O)C(F)C#N;SSAWHFDDCBOZHG-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84526;MM84526;C=CC(C)C(N)CCCO;FXYGOCBSEKHFEY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84527;MM84527;C#CC(C=CCO)CCN;UOLBQIUEQRGTNL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84528;MM84528;C=CC(=CCO)CCN;YKPCMKHVXYDZDR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84529;MM84529;CCC(C)C(N)C(C)(C)N;FKBQUFKKZLHFIY-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84530;MM84530;NCCC(C=CF)=CCO;CGYLPFDNHJXZKZ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84531;MM84531;CNCC(N)C(C)(C)CF;TZRQGIXJQGPHNS-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84532;MM84532;C=COCC(C)C(O)C#N;ARAUFKSFNCCDPZ-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84533;MM84533;CCC(F)(CCN)CNC;XVOHYBGCEVSRIU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84534;MM84534;C=COCC(O)C(F)C#N;JCWLONIGOMGENY-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84535;MM84535;C=NNC(=O)CC(C)(C)O;BPZHZETWFOPBNU-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84536;MM84536;C=NNC(C)=O;CUQQXXHZLBBJGV-UHFFFAOYSA-N;86.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84537;MM84537;C=CC(C)(C=NN)CNC;JVGQLLHONKWTEC-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84538;MM84538;NCCC(=CCCO)CF;ZEQFPAPUIJDUCJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84539;MM84539;C=CCOC(C)C(O)C=O;DUGLQRWFGNJDGK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84540;MM84540;C=CCOC(C)C(O)C#N;MBNHZIXEOQZKIP-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84541;MM84541;CC(OCC=O)C(O)C#N;DJWGVDCAONQQNC-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84542;MM84542;CC(OCC#N)C(O)C#N;JJNHYGUWWKVHOA-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84543;MM84543;C=CC(C)(CNC)N(C)C;RLQYLSHBKBRAFU-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84544;MM84544;CC(N)C(C)CCNC=O;ISXOMMFRCIPKSN-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84545;MM84545;CCC(N)CCCNC=O;IHOWKGCFXKQAOA-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84546;MM84546;C=CC(=CCCO)CCN;JGEQDFUTAPPLNW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84547;MM84547;C=NN=C(N)C(O)C=O;JQNLRLHQJMYSLO-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84548;MM84548;C=C(C=CCCO)CCN;LTBNGAHNLWZBTD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84549;MM84549;CC(CCC#N)N(O)C=O;MQKLXMQCBVSEBR-UHFFFAOYSA-N;142.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84550;MM84550;C=C(CN)CC(C)N(C)C;QFDAAKLWXFARND-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84551;MM84551;C=NOCC(C)N(O)C=O;RGBIVJYETINUNI-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84552;MM84552;C=CC(=NNC)C(=O)NN;IWCCHAYUDWAJLS-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84553;MM84553;CCC(F)CN(N)C(C)=N;CETLXEDVUUFXRP-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84554;MM84554;CNC(C)C=C(C)C(C)N;KEJNLERAALAECB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84555;MM84555;CC(C)(CO)OC=NN;FEPUIDIXRXWKIS-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84556;MM84556;NCCC(=CF)CCCO;RCTJOAAQRTXNBA-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84557;MM84557;CC(C)(O)C=NNCC#N;NOBNFAZPPJMUOT-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84558;MM84558;C#CCOC(C)C(O)C#N;NIARIFOFABTEFT-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84559;MM84559;C=CC(N)CCCN(C)C;LGBHGGAJPSTDNR-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84560;MM84560;C=CC(N)CC(N)CCF;LTVSKWDFAQQAJR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84561;MM84561;C=CC(N)CC(=C)CNC;YGAZAODZPKPCEX-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84562;MM84562;C#CC(=C)C(CO)=NN;AWSMFFBECPVPKX-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84563;MM84563;CCC(=CC(C)N)CNC;SYLBKJAEOPEDCI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84564;MM84564;C#CC=C(CCN)CCO;JPFYBVZKXNCXRA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84565;MM84565;C#CC(O)C(O)CCOC;MLDMOEWVGDYZOR-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84566;MM84566;C#CC(F)C(O)CCOC;XNANMWPFFXTMMA-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84567;MM84567;CC(F)=CCCNCCN;XKAHOJJOZAZKGY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84568;MM84568;CNC(=O)N(N)C=CF;XHHCQKIPIHESIQ-UHFFFAOYSA-N;133.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84569;MM84569;C#CC(O)C(O)COCC;FNOBBDGBRYDIMO-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84570;MM84570;C#CC=CNC(=N)COC;KZEVSQRRRXVJEK-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84571;MM84571;C=C(C=NNCC)CCN;BEFTTWOPSHESRJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84572;MM84572;COCC#CC(C)NC=N;JXOOTDGFFCXXJW-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84573;MM84573;CCNC(=O)N(N)C=CF;PRHYJLBNTIJUTL-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84574;MM84574;C#CC(O)C(O)CCC#N;YAFYNBHQWNTSNQ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84575;MM84575;C#CCNNC(C)=NCC;FWYGGYLNDWYODE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84576;MM84576;CCC(N)CCCC(N)=O;QGZNPVVZPTXMLO-UHFFFAOYSA-N;144.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84577;MM84577;C#CC(F)C(F)CNC=O;OAXCDAUNNLLPJE-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84578;MM84578;CNC(=O)N(N)C=C(C)F;SDURQVGYZAJQBG-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84579;MM84579;C#CC(C)C(O)COC=O;HEBAQZHFKICCDE-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84580;MM84580;C#CC(O)C(O)COC=C;SGESZSUGBKQYFI-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84581;MM84581;C#CC(F)C(O)COC=C;WJBWUKHFYNDOKI-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84582;MM84582;C=C(CCN)C(=O)OCC;ZCLSMLGVGJOXRC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84583;MM84583;C=CC(=CC(C)O)CCN;ROBSAMZZHLNERU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84584;MM84584;C#CC(O)C(C)OCC#N;PJHLRJYGOTYSNO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84585;MM84585;C#CC(CO)C(=C)CCN;NPBHYCNVXDENMY-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84586;MM84586;C=C(CCN)C(=C)OC=O;YJHWQOWNUSXMGG-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84587;MM84587;C=COC(=O)C(=C)CCN;OMWDEZVWFBZOBD-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84588;MM84588;C#CCOC(C)C(O)C#C;NMIUSTAYRUNSEI-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84589;MM84589;CC(CCCO)C(=O)CO;XTWAAHRDDQAVTL-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84590;MM84590;C=C(CCN)C(C)=NNC;GJMXXSFIYOMJQC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84591;MM84591;C=C(CO)C(O)CCCF;FSTHPNHZXUUAIF-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84592;MM84592;C=CC(CO)C(N)=CC#N;ILRFPAIMUJVYHT-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84593;MM84593;CNCC=CC(N)C(C)C;KTXZTEWVUVOGEP-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84594;MM84594;CON=C(C=O)N=CNO;YNZNFWLIZRBXNB-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84595;MM84595;CC(=CCN)C(N)C(C)C;HNKAAONIQHAVFG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84596;MM84596;COC=C(C=CF)CCN;MBJVUVSZBGRZFJ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84597;MM84597;C#CC(C)(CCN)CCO;GHGRSSLLFNODML-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84598;MM84598;COC=NNCC(C)CO;RXQAJNOOOUEQNG-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84599;MM84599;C=CCC(CCN)N(C)C;VBFLOMRMCNVNOP-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84600;MM84600;C=C(F)C(CCF)CNC;PUZIUUWKWQBVHM-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84601;MM84601;C=C(CN)CCN(C)CC;FFLQOUBODIPLDM-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84602;MM84602;CCC(C)=CC(CN)CN;BDVDOBVDGNIRRX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84603;MM84603;C=C(OC)C(O)CCOC;VZYJDFIAJAVAKT-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84604;MM84604;CC(=CC(CN)CN)CF;JJBLUVQKFBOUQM-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84605;MM84605;CCN(C=N)C(C)C=O;FUSPRBGPEYRTAM-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84606;MM84606;C=CC(C)=CC(CN)CN;DPIKYVTVONCIAZ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84607;MM84607;CCC(CN)COC(C)=O;PALQBTKNNFBIGK-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84608;MM84608;C=C(CCN)C(=C)C(C)O;FCMQIPGVGOHQCT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84609;MM84609;CC(C)C=CC(CN)CN;ZIADGXZDZDQRHK-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84610;MM84610;C=C(OC)C(O)COCC;UOXYHCNIUGUWKU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84611;MM84611;CC(F)C=CC(CN)CN;IOFXUSLVKMFLLY-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84612;MM84612;C=C(C)C=CC(CN)CN;RJMALIKSIQYMDC-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84613;MM84613;C=C(F)C=CC(CN)CN;XLUUPJPQFFLUEJ-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84614;MM84614;C=C(CO)C(C)OCOC;GCNSCAWWNRDSMZ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84615;MM84615;CNC(=O)C(C)OCCO;DTKKDJRNZOXZAB-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84616;MM84616;CCCNC(=NN)NC=N;CCNRWOBODLVVQE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84617;MM84617;CC(OCCO)C(=O)NO;XRANEVGHTJBAIU-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84618;MM84618;C=C(OC)C(C)OCCO;UIBAHDUPDFAKLE-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84619;MM84619;C=C(OC)C(C)OCOC;QRZHFVUQZSWMRG-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84620;MM84620;C=C(CC)CCNCCN;RYPWFQGCNOJCSN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84621;MM84621;CCCCN(C)C(=O)CO;OECLKMSYWCPFNW-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84622;MM84622;CNCCC(C)C(=O)C=O;CNJRXGVNNRRCHR-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84623;MM84623;CC(=CF)CCNCCN;FHNPOYCSRYGNNV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84624;MM84624;CCCC(NC)C(C)NC;YPLWYQUITYNART-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84625;MM84625;C#CC(CNC)C(C)CF;KPCGHSYSPXXOAL-UHFFFAOYSA-N;143.21;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84626;MM84626;CCCCN(C)C(=O)NO;AVKHXWNDNIYMHO-UHFFFAOYSA-N;146.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84627;MM84627;CNC(C)CCNCC=O;RPVQSCAUGXGLBH-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84628;MM84628;CCCCN(O)C(=O)NN;LEQBBZWJUCCKIH-UHFFFAOYSA-N;147.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84629;MM84629;CCCCN(O)C(=O)NO;YBKNLZNQGWDNQL-UHFFFAOYSA-N;148.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84630;MM84630;C=NOCC(CN)CCF;MXAQGPFMLTUNTI-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84631;MM84631;C=NNC=CC(=N)N(C)N;IPGDBZLQBZLBSV-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84632;MM84632;CC(CN)CON=CCF;RHTUYTIHYPLJMS-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84633;MM84633;C=NN=CC(F)CCNC;NUQPITYLLVQVIQ-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84634;MM84634;CCCNN(C)C(=O)NO;XLMYIHRAUFFORX-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84635;MM84635;CCCON(C)C(=O)CO;LQXHXWIBNDEADQ-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84636;MM84636;C=NNC(CF)CCNC;JLRYLMQNBQPFAG-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84637;MM84637;CNCCC(F)C=NN;MMLJPPPJWLRMTQ-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84638;MM84638;CNC(=O)N(C)OCCO;GCVZEMMIGRVHJT-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84639;MM84639;N#CCCC(O)C(=O)CF;FRNBURVRZVYBPZ-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84640;MM84640;CNN=COCCC(C)O;JIOJEDIHOBNZJY-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84641;MM84641;C=CCCC(O)C(=O)NC;ASAGMJYJKCORJY-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84642;MM84642;CC=C(C#CCN)CCN;XOGMMENVGAMQBQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84643;MM84643;CC=C(C#CCN)NC=N;RKEITIKHAFYSIB-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84644;MM84644;C=CC(=COC=O)CCN;TVNDVPOGQRBVJQ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84645;MM84645;COC=NNCCC(C)O;RPESPNZIRBQBRL-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84646;MM84646;COC=NNCCCCO;IURDFTIYKDJHHF-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84647;MM84647;C#CCNNC(C=C)=NC;PZAKFAHWQXAPFM-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84648;MM84648;C=CCC=CC(CN)CN;BXEIQBIHVUAYKE-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84649;MM84649;C=NNC=C(F)C(=O)OC;ZKFSTKOFDFOAFH-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84650;MM84650;NCC(C=CC=CF)CN;BQXQUTLUMZBNNF-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84651;MM84651;N=C(CF)NN=CCF;JXKIJQNUWPQODW-UHFFFAOYSA-N;135.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84652;MM84652;CNCCC(F)C=NNC;WADBJRLRZPTMCT-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84653;MM84653;COC=CCCNCCN;UCMZLFXLXJTCHW-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84654;MM84654;C=CC(=N)NNC(C)=NO;ZEYQJEVIIQTWCQ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02605;MM02605;CC(OCC#N)C(=O)CF;ZHWJWSDHLVWQMH-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84655;MM84655;COCC(C)CN;QKCOKEIMHOFEHO-UHFFFAOYSA-N;103.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84656;MM84656;C=NOC(=NN)C(=C)OC;NHBSHPBGNWHRTK-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84657;MM84657;C=NNC(=N)C(F)CC#N;UGJSXVIMMVWHOA-UHFFFAOYSA-N;142.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84658;MM84658;CNC(=O)C(C)OCC#N;MSVISBIGHUPMIR-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84659;MM84659;CC(OCC#N)C(=O)NO;ZNTMZVZWFGDAKR-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84660;MM84660;COC(=O)C(C)OCC#N;MJGQWGJTUQSOCY-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84661;MM84661;C=C(CF)CCN;RFQOHYXYJNTXIG-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84662;MM84662;NCCC=CC(F)(F)CO;DSAJQLCLEUYIEF-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84663;MM84663;C=CC(=C)CCN;MNGPPBIDVPCLAA-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84664;MM84664;C#CCNN=CCF;OPRRFTXKAREIHD-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84665;MM84665;CC(=CF)CCN;USBWQJCGMMGHMD-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84666;MM84666;C=C(CCN)COC;VXVQUMJXSOYQMH-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84667;MM84667;C#CC(C=C)NC(=N)C#N;CWFFPVHZLNRMIN-UHFFFAOYSA-N;133.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84668;MM84668;CNC(=O)N(C)CCC#N;AVWPNUFFHQYFIO-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84669;MM84669;CN(CCC#N)C(=O)NO;MMPMSYFEEDBIKU-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84670;MM84670;COC=C(C)CCN;XBFUQIQIZVJNOM-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84671;MM84671;C=NNC(=O)C(C)COC;QWKFHGMBNWCDAO-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84672;MM84672;C=CC#CC(O)C(C)=NN;XXRGSEMFLDJTGJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84673;MM84673;CC(C#CCO)=CCCN;KXCBGSKDSRUMSW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84674;MM84674;C=CCCN(N)C(=O)NO;OLAHJWZDVGSXAU-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84675;MM84675;C#CC(O)CC(=O)NN;HCGDUHIBZZRWFR-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84676;MM84676;C#CC(CC(O)C#C)=NN;QLXFDRLUCQQEHF-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84677;MM84677;C=CNC(=O)N(N)C=CF;KRNWCERBGSSIBC-UHFFFAOYSA-N;145.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84678;MM84678;C=C(CCN)C(C)F;GTRCONJRWKNOGW-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84679;MM84679;COC(=O)N(C)CCC#N;NIPZSDYZOGELGK-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84680;MM84680;CC(F)=C(C)CCN;GLDXRTFVLNHYDZ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84681;MM84681;C=COCC(C)CN;XGMVLLTXLTUENW-UHFFFAOYSA-N;115.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84682;MM84682;CC(CN)COC=O;ZZKHDLFNIQABDP-UHFFFAOYSA-N;117.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84683;MM84683;C=C(CO)N(O)C=NOC;SFGZMGPLLUJOKW-UHFFFAOYSA-N;146.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84684;MM84684;C=NOCC(C)CN;LJCOKQATUFRDHB-UHFFFAOYSA-N;116.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84685;MM84685;C=CCC(CN)NC;GTQVEJVCVANJRK-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84686;MM84686;CCC(=CF)CCN;RJDDGPRASXWAJN-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84687;MM84687;CN(NCC#N)C(=O)CO;UMSJKLHCTDTVQQ-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84688;MM84688;CNC(=O)N(C)NCC#N;SCIVGLSLZCMJEB-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84689;MM84689;N#CC(=N)NO;YURQPGVFJJHBCK-UHFFFAOYSA-N;85.07;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84690;MM84690;C=CCNN(C)C(=O)NO;QHBJDSXTJGVOTM-UHFFFAOYSA-N;145.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84691;MM84691;CN(NCC#N)C(=O)NO;JZTYKULFDJYPIW-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84692;MM84692;CC=C(CF)CCN;JRBCMAVHZWXINB-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84693;MM84693;CC(C#CCO)CCN;JONWQRFBLSBGLH-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84694;MM84694;NCCC(=CF)CF;UMCMCFHQDXXIAG-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84695;MM84695;CCC(=O)N(C)OCC#N;STXPAZGWIXYOCM-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84696;MM84696;CN(OCC#N)C(=O)CO;AUHXJEPYLRHOLU-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84697;MM84697;CC(N)C(C)(F)CCN;QQVZHWCIDIVTEC-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84698;MM84698;CC(=CCCN)C(O)CF;OSRPOJGNSHDOJL-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84699;MM84699;C=CCON(C)C(=O)NC;OHCLSVIILFWWMX-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84700;MM84700;CNC(=O)N(C)OCC#N;CZPGOHDCCFVETA-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84701;MM84701;C=NOC=NN=CC(C)O;RSVWNSMCKASVAH-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84702;MM84702;C=CCON(C)C(=O)NO;XCHASQUBXLBHGQ-UHFFFAOYSA-N;146.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84703;MM84703;CN(OCC#N)C(=O)NO;JOEKFALJFFFIFP-UHFFFAOYSA-N;145.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84704;MM84704;CNCC(C)=CC(C)N;AJUTWTMBUWKUOC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84705;MM84705;C#CC(C)(N)CCNC;QTOJHSUOTAOLFT-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84706;MM84706;CC(=O)OCC(C)CN;OMBSVUQQLKLDSG-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84707;MM84707;C=C(C)CC(CN)NC;JTEXVJLWQPDMLK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84708;MM84708;CC(=N)NC=NCCF;RFTWPLYIVDNSIV-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84709;MM84709;CC(O)(C=CCCN)CF;SIIMCBKDBSDHHK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84710;MM84710;CC(O)C(F)C=CCCN;ADWOUAXGJLZFHN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84711;MM84711;C#CCOC(C)C(=O)OC;JWBIJGCMAURQHW-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84712;MM84712;CC=CC(CO)OC=NN;UFDFIKRQDPEVIO-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84713;MM84713;C=NN=CC(=NN)NO;RSYKGXXNGNJHDM-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84714;MM84714;C#CCCN(C)C(=O)NC;FWJDRRZEOQPJSP-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84715;MM84715;C=NNC(C)CCNC;DCAYPQYOYJUPJJ-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84716;MM84716;C=NOCC(=C)CCN;PJKRZKUXLLZYLF-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84717;MM84717;C#CC=CC(=N)NNC;XUXGEHCOYYLSLT-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84718;MM84718;CNCCC=CNC(C)=O;VPMCQZDNWFTKKM-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84719;MM84719;C#CCON(C)C(=O)NC;SRJSEXCRGCCFOC-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84720;MM84720;CC(=COC=O)CCN;UBHYSHLNJMIPMX-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84721;MM84721;C#CCON(C)C(=O)OC;JTAYDUCXLOHJBZ-UHFFFAOYSA-N;143.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84722;MM84722;C=CC(=N)N(C)C(C)=N;HMNJIPRIMWTRBU-UHFFFAOYSA-N;125.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84723;MM84723;C=CC(=O)C(O)CCCF;WDTJVHVNVTUVLG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84724;MM84724;N#CC(=O)C(F)CCCO;AWMCVGLSMZDCFC-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84725;MM84725;CC(CF)=NNCCO;GPXDTYWHQFHXRI-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84726;MM84726;C=C(F)C(F)CCNC;JWSUDWIDIFTMAN-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84727;MM84727;C#CC(C=NOC)=CCO;NZBWKLHWUIDHMB-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84728;MM84728;CN=CNC(=N)C(C)C;CBEDJPRQDHEDCY-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84729;MM84729;CC(O)CC(N)=CC#N;OTUKODZDQBHHIP-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84730;MM84730;C=C(C=O)C(O)CCOC;ZXWLXLBDYFJQJT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84731;MM84731;COCCC(O)C(=O)C#N;SLOJZKLBTZPGPF-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84732;MM84732;CC(CN)COCCF;QIZTVLSMLOJLAY-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84733;MM84733;COCOCC(C)CN;OSKJMLHMJLZKHS-UHFFFAOYSA-N;133.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84734;MM84734;C=CC(=O)C(C)OCCO;QTCSZXVZARDFMY-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84735;MM84735;CC(OCCO)C(=O)C#N;DPKGPRBGCZMQCN-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84736;MM84736;CC(OCCF)C(=O)C=O;CNVJFJPKDBNZOC-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84737;MM84737;C=CC(=O)C(C)OCOC;RPWNVVNVAGLBFL-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84738;MM84738;CN(CCCF)C(=O)C#N;SAONTSKBBITFNK-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84739;MM84739;CC=NOCC(C)CN;SZEYYRXOYMGCOC-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84740;MM84740;CC(C#CCCN)CN;SFWAOQKGNPFASH-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84741;MM84741;C#CCC(N)C(C)CN;AUOYEXLFXIYLFZ-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84742;MM84742;COCCN(C)C(=O)C#N;YXNHMEGHSPKOHF-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84743;MM84743;CN(OCCF)C(=O)C#N;VQRLHZRGUBFHHM-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84744;MM84744;C=C(C=O)C(O)CCC#N;NXQBTQHNUXNTBT-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84745;MM84745;C=CC(=O)C(O)CCC#N;XDVMEBXEJMZEDQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84746;MM84746;N#CCCC(O)C(=O)C=O;QJDLIZNPUSPKHB-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84747;MM84747;C=C(CCN)C(F)CF;CAUMVLYJVSYGGW-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84748;MM84748;CC(N)=C(C#N)CCC=O;KQWYOTQLOVXFHY-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84749;MM84749;NCCC(=CF)CCF;GLJJPTRRHGLKGP-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84750;MM84750;CNCCC=C(C)NC=O;JQYNLOMNDFKOFE-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84751;MM84751;C#CC(OC)ON=CC;GGCOKCQDEYOYIQ-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84752;MM84752;CC(COC=O)C(=O)C#N;PYMWJJSZJTUQFW-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84753;MM84753;C=CC(=C)C(O)COC=O;WSUYFKLYMSXLMF-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84754;MM84754;C=C(C#N)C(O)COC=O;VLEVWMZNCRSDIH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84755;MM84755;C=COCC(O)C(=O)C=C;MLCDVVBYHQVTSR-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84756;MM84756;C=C(C=O)C(F)COC=O;CFTSQPXYQIIUSC-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15820;MM15820;C=COCC(F)C(=O)C=O;CYKHZEIZVXJGRA-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15819;MM15819;C=COCC(F)C(=O)C#N;IMUOMFDGMBKFBF-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84757;MM84757;C=NNC(CC#N)=NOC;JNPRDSSUQQPCBY-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84758;MM84758;COC(=CCCN)C(C)O;IILZYPNTIPUNEY-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84759;MM84759;C=NOC=NNC=CC=O;HUYDBTHBVZFJQT-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84760;MM84760;C=NNC(=O)NC(C)C;ZHRJMVKNMZEXDF-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84761;MM84761;C=NNC(=O)NCCC;JOOYBCMYJODNMT-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84762;MM84762;CC(OCC#N)C(=O)C#N;MDRWXBUJEHFQJM-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84763;MM84763;C=CCC(=CF)CCN;BKJVNKOXILHPNP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84764;MM84764;C#CC(O)C=CCCN;DBAZVCQBCKLCSK-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84765;MM84765;C=C(F)C=CNC(=N)CO;QJJXTQYJESPRGN-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84766;MM84766;COC=C(CF)CCN;IQXZIYBYFCVYAW-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84767;MM84767;CC(F)C(=CF)CCN;WGLGNRDHNGBZJS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84768;MM84768;CC=C(CCN)C(F)F;LTTRXGIBYHQRCS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84769;MM84769;CNN=CC(=O)NN;FGJKHLZUEHYULX-UHFFFAOYSA-N;116.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84770;MM84770;CNN=CCC(=O)C#N;XUIWLWXDPRPKRE-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84771;MM84771;CNC(CN)CC=CF;FOEVITZFUDIUAF-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84772;MM84772;CNC(C)C(C)(F)CCN;HTECZQRRHVUFMO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84773;MM84773;CCNCC(C)(F)CCN;WQBHCJTYAHJTQU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84774;MM84774;C=NNC(C)(C)CCNC;LJDMDIDDJZFTHA-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84775;MM84775;CC(N)C(C)(C)C#CCN;DORMLUIWCQVCNX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84776;MM84776;C=CC(=O)N(C)OCC=O;HEQFHPUGFIBUJB-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84777;MM84777;C=CCON(C)C(=O)C#N;ICZVJKIPSXWKCK-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84778;MM84778;CN(OCC=O)C(=O)C#N;VJRAICVVIXHTLO-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84779;MM84779;CN(OCC#N)C(=O)C#N;WAJLSSFKXNJVJI-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84780;MM84780;C#CCCC(O)C(=O)C=O;FGDRUAXPKKOXBG-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84781;MM84781;C=CC(C)(C)C(CN)CN;OGVYIIGXBJCYCS-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84782;MM84782;NCCC=CC(O)C=CF;FGPBINVRBYNACA-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84783;MM84783;CCCNN=CC(=O)NN;OFVSLZMCWIGCGO-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84784;MM84784;CNC(C)(C)C(F)CCN;YBCFXHDSTWIWAE-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84785;MM84785;C=C(CNC)C(C)(C)CN;DKUPOOAAAPJVIH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84786;MM84786;CCC(F)(CCN)C(C)N;PWDPPSGBJYSVIM-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84787;MM84787;C#CCON(C)C(=O)C#N;IBGGWHLUMHUXSS-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84788;MM84788;COCC=CNC(=N)NO;NDTIZHREGMSHPB-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84789;MM84789;C#CC(=O)C(O)CCCF;WHJYTPWHFLUOPV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84790;MM84790;C#CC(=O)C(F)CCCO;KFVKODPGNGTJEV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84791;MM84791;C=CCC(N)CCN(C)C;FDZROIIJSGQMJY-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84792;MM84792;C#CC(O)C(C)=CCCN;UKZTWIUODPFNAP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84793;MM84793;C#CC(=C)C(O)CCOC;KCMWTILAOZOCGK-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84794;MM84794;C=CCC(N)C=CC(C)N;XMNAVECKESMLHL-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84795;MM84795;CNN=CC(C#N)C=O;GLKYITJUZYZSRT-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84796;MM84796;C#CC(=O)C(C)OCCO;WIENQLFAZGTTAO-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84797;MM84797;CC(=NOC(N)=O)NO;QUCCFRXEEZOXQZ-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84798;MM84798;CC(=N)N(C)C(C)=C(C)F;BQASKXBDRDYHLH-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84799;MM84799;CC(N=CN(C)N)C(=N)N;DETKIAVZAOOPCO-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84800;MM84800;C#CC(=O)N(O)CCOC;XCJNFZLKGQUANC-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84801;MM84801;C=C(C=CC(C)N)C(C)N;QWDZHZAXLBJGBH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84802;MM84802;CN(C=O)C=NCC(=N)N;OODIVAIIVRNLTP-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84803;MM84803;C=NOC(C#CC=O)CO;OCYWRVKALWPEDJ-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84804;MM84804;C#CC(=O)N(C)OCCF;QUQVVCFWYNFRDB-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84805;MM84805;C#CC(=C)C(O)CCC#N;IDFUCSJIQYTGON-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84806;MM84806;C#CC(=O)C(O)CCC=C;YZGRLFVEOFVQGV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84807;MM84807;C#CC(=O)C(C)CNC=O;PZSGZJMDPATUKN-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84808;MM84808;CC(O)COC=CCCN;ZVHIMXOUFLVONO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84809;MM84809;CCC(O)COC=NNC;TZPVMAAPGJQEPM-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84810;MM84810;COC(=NC=NC=O)NO;YHNANMWPDSGPBZ-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84811;MM84811;C#CC(=O)C(C)COC=O;LVXSUKFPPNBUQI-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84812;MM84812;C=NN(C)CC(=C)CCN;YSWBFBKBCFMIDC-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84813;MM84813;C=CC(O)CC(N)=CC#N;ZKDVDPLLMMQSFV-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84814;MM84814;N=C(NN)C(=CN)CO;QZAQCRRLQOVVBF-UHFFFAOYSA-N;130.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84815;MM84815;NCCC=CC#CC(N)=O;PGYZRISQMAQDLD-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84816;MM84816;C#CC(=O)C(C)OCC#N;HEKJPMNLETXWEU-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84817;MM84817;C#CC(=O)C(C)ONC=O;BOTKQEAQJNRFSW-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84818;MM84818;CNC(C)CC(N)=CC#N;BMEFMORSHJVVSU-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84819;MM84819;CNC(C)C(C)NC(C)C;CHANECYKOMELCW-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84820;MM84820;C#CC(O)CC=CCCN;BSTDFLJAAUNOSG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84821;MM84821;NCCC=C(CO)CF;VFLQWLNOWKPSJM-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84822;MM84822;C#CC(=O)N(O)CCC=O;VKKCTRHIRYLHGC-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84823;MM84823;CC(F)CC(=CF)CCN;ZHQGQBLGXYXYKX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84824;MM84824;COCCN=CNC(C)=N;NWGOINSZXZMQFU-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84825;MM84825;C=C(CCN)COCCF;GEXMHKSFVNQBIC-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84826;MM84826;C#CC(=O)N(C)OCC=C;CNBFOEVLQSZYFL-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84827;MM84827;C#CC(=O)N(C)OCC=O;BVRKYDABVGZUKQ-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84828;MM84828;C#CC(=O)N(C)OCC#N;GMWRSRDBTMUMDE-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84829;MM84829;C=C(CCN)CNN=CC;XQWHBZOBYVKFJM-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84830;MM84830;C#CCCN(O)C(=O)C#C;PUCPOKACQSGOPX-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84831;MM84831;C=C(C=COC=O)CCN;HCATYFOPMDBBSD-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84832;MM84832;C=C(C#CC=NN)NC=N;DTNRUIYLTFFPLT-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84833;MM84833;COCOC=C(C)CCN;KZLBODZOXIXKTC-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84834;MM84834;C#CCON(C)C(=O)C#C;BBTAYBYJDSGKEN-UHFFFAOYSA-N;137.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84835;MM84835;C=NNC(C)C(=C)CCN;FGOJFIRHRLDZCT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84836;MM84836;C=CCC(=O)C(=N)N(C)O;VTEXWGCUSAHOTE-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84837;MM84837;C=C(CCN)C(C)OC=O;HXEHFMIEBCLTSA-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84838;MM84838;COC=C(CCN)CCF;FXLBIRNXAOMFJE-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84839;MM84839;CC(CO)C(=O)CCCF;MMYCZGQHMLOWMZ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84840;MM84840;CCC(F)(CN)C(C)CN;VOIGAOBMHQMNTB-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84841;MM84841;C=C(CO)C(F)CCNC;RUNFLNXEPJIQSG-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84842;MM84842;CNC(C)(CN)C(C)CN;ZTBOURPNCMNZKG-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84843;MM84843;C#CC(C)(O)C=CCCN;JQMBRRYJNAWMEO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84844;MM84844;C#CC(C)(CCNC)NC;SBRXLRFSAHHWKR-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84845;MM84845;CCC(O)CNN=COC;WSIASLMNOZABQT-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84846;MM84846;CC(CN)COC(=O)CF;KEUIIBYKQCKYAH-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84847;MM84847;C#CC(=O)ON=C(C)NO;RKMOCUSLSOJMGX-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84848;MM84848;C=CC(=O)OCC(C)CN;NOODEOCZLOGMOS-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84849;MM84849;C#CC(=O)OCC(C)CN;GCLBPGJCAGPDJA-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84850;MM84850;CCOCC(=O)C(C)CO;AMJKGAZQGXQCEJ-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84851;MM84851;CC=NN=C(C)NO;UVCVESOFVWKIGE-UHFFFAOYSA-N;115.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84852;MM84852;CC(C#N)NN=CCO;YAABYUJOVGZCEO-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84853;MM84853;CCCNC(=O)C(C)OC;OYKQQJZAXCGGHJ-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84854;MM84854;CCC(C#N)NN(C)C=N;RKOOHKUJBAPFKF-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84855;MM84855;C=C(OCCO)C(C)CO;HDVXWJBFYOAIJK-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84856;MM84856;CCC(CO)NCCCN;SGVOYRDYUAYEOI-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84857;MM84857;NCCC=C(CO)CCF;QUVKHJYNTQDIRZ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84858;MM84858;C#CC(C=CC(C)N)CN;SSSZYXFTLBNWGJ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84859;MM84859;CCC(F)C(=O)OCCO;JHGAKAUPPQNOGB-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84860;MM84860;CNC(CN)CC=C(C)F;VXIIHDCIZXWPOT-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84861;MM84861;CC(CCF)=NOCCO;OUVRLZHJXKZUAO-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84862;MM84862;C#CC(=C)C(F)CCNC;MUOSKFFPGCINLT-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84863;MM84863;CCN(C)C(=O)CCCO;LWVRRWRITQYZJV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84864;MM84864;CON(C)C(=O)CCCF;DQUMVDSJPSMEAH-UHFFFAOYSA-N;149.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84865;MM84865;CCC(N)C(C)C#CCN;GNCAMIZSBCGYAV-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84866;MM84866;CC(C)(O)CC(N)=CC#N;YAVAXSVMDXJIGK-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84867;MM84867;CNCC=C(F)C(C)CN;BARNZDROTQOFOB-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84868;MM84868;COC=COCC(C)CN;PYTPSPRCFFIQMA-UHFFFAOYSA-N;145.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84869;MM84869;CON=COCC(C)CN;AZJDMRAOQQFBDU-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84870;MM84870;COC=NOCC(C)CN;JBHDSRQMXBEPIO-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84871;MM84871;COCCC=CN(N)C=N;MEAUGMFKLAULAA-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84872;MM84872;CC(CO)C(=O)CCC#N;CGOBKUCPEDDHSF-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84873;MM84873;CCC(F)=C(CF)CCN;LRGIBMZJDIIEQI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84874;MM84874;C#CC(CCNC)NCC;FXOZHEYHZZERAI-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84875;MM84875;C=CC(C(C)O)C(C)NC;FITAUTMKWBDJED-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84876;MM84876;C=COCC(=O)C(C)CO;GXYKXPSINSRODP-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84877;MM84877;C=NNCC(=CF)CCN;ORKNIAOTOFAMNN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84878;MM84878;NCCC=CC(CO)CF;YJQOXCLNFSLFCR-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84879;MM84879;CC=C(CCN)COC=O;PXYYZCREGYAJEQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84880;MM84880;C=C(C)C(CO)C(C)NC;UYRHVVIVCGUOCW-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84881;MM84881;NCCC=COC=CCO;VFDJQOOQZLVADH-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84882;MM84882;CCC(=COC=O)CCN;RKRAEEYAUUNCDI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84883;MM84883;C=CCNC(=O)C(C)OC;BUVVEPSQPCMODN-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84884;MM84884;CC(CO)C(=O)NN=CN;KNFNQBWUKSGUAK-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84885;MM84885;NC=NNC(=O)C(F)CO;KCHADBHDRYNNEN-UHFFFAOYSA-N;149.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84886;MM84886;C=C(OCC#N)C(F)CO;CWNWVSOWZCHOJO-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84887;MM84887;C=CC(C=C)C(CN)CN;MVGYSRPMJMNYRW-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84888;MM84888;CCC(O)C(=O)OCC#N;FHSAVJXCTNUTQI-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84889;MM84889;N#CCOC(=O)C(F)CO;CVYRYFOLTJCSQD-UHFFFAOYSA-N;147.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84890;MM84890;NCCC=C(F)CCO;OCLMWUXYYGIMJZ-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84891;MM84891;C=NNC(=NC=O)OC;WHRGCKIASDORBL-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84892;MM84892;CNC(CN)CC=COC;CTOZQOFDUWUNKC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84893;MM84893;NCC(CN)CC#CCF;UMPNLGGLSXIAMS-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84894;MM84894;CCC(CN)C(F)CNC;JNOQCOWOIMWQPF-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84895;MM84895;NCCCN;XFNJVJPLKCPIBV-UHFFFAOYSA-N;74.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84896;MM84896;COC(=CCCN)CCO;KDVHZWYNKGSJSX-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84897;MM84897;C=COCC(=O)N(O)CC;OHKPUICGEKYPBU-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84898;MM84898;C=CCCN;ASVKKRLMJCWVQF-UHFFFAOYSA-N;71.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84899;MM84899;C=C(C)CCN;NJTBJCGFHPFCQL-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15832;MM15832;C=COCC(=O)N(C)OC;CHVJMHMOBNWZRR-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84900;MM84900;CC=CCCN;VWJYDONMXDIHNY-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84901;MM84901;NCCC=CF;INUOPOJUOVSUAK-UHFFFAOYSA-N;89.11;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84902;MM84902;C=CCNC(=O)N(C)CC;RSVICVBICARLKV-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84903;MM84903;CCN(C)C(=O)NCC#N;GJVPGMYNPRPAJB-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84904;MM84904;NCCC=CC(F)CCO;GJAWZESAWUQUNV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84905;MM84905;CC(N)C(C)(C)C;DXSUORGKJZADET-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84906;MM84906;CON(C)C(=O)NCC#N;QNDXPFLKRGCDNB-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84907;MM84907;CC(F)=CCCN;SQBTUQZHDAOCJL-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84908;MM84908;NCCC=COCCCO;MTCBBGLBBJZPAA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84909;MM84909;CCN(C)C(=O)OCC=O;GNJOTNXANGHJDV-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84910;MM84910;C=CCOC(=O)N(O)CC;OZZBHPOADAKXJP-UHFFFAOYSA-N;145.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84911;MM84911;CCN(O)C(=O)OCC#N;BJPXKCMOESTRLC-UHFFFAOYSA-N;144.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84912;MM84912;NCCC=C(F)F;LRWMZMQXLKUXAD-UHFFFAOYSA-N;107.1;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84913;MM84913;C#CC(C)CCN;UIOWIJGQLZVMNW-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84914;MM84914;C=C(CC)CCN;ZNUXQUALVWOIAJ-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84915;MM84915;CON(C)C(=O)OCC#N;HYHPXFKQYNWLEB-UHFFFAOYSA-N;144.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84916;MM84916;CCN(C)C(=O)ONC=O;JVRPZKOGWCJKGW-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84917;MM84917;NCCC=CCF;YRQWHOCHGCHZDT-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84918;MM84918;CC(N)CCN(C)C;XFBCIULBTBLLOK-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84919;MM84919;C#CCCC(=O)C(O)CF;UOWYJPGTAKQGMD-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84920;MM84920;C#CC(OCC=O)ON=C;LELMAZVRVFYQHO-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84921;MM84921;C=NNC=C(F)C=O;DWEDBOGUHPGASA-UHFFFAOYSA-N;116.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84922;MM84922;CC(N)C=CC(C)N;YNAIBRGIACBBCY-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84923;MM84923;CC(F)C=CCCN;KXRWWLLZCAVLNU-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84924;MM84924;C#CCOC(=C)C(O)CO;BMCNXUXDOFZFLF-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84925;MM84925;C=C(CCN)CCF;SPIVDLLEBMTXBW-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84926;MM84926;CC(=CCF)CCN;ANRSDHNEAUAMHP-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84927;MM84927;CC(CN)C(F)CN;FXGGXRFUCUDOCO-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84928;MM84928;CC(=CCCN)CF;XFHNYEBDOIBVKE-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84929;MM84929;C=NNC=NOC(C)C#N;OEOSCWKKRQJCFA-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84930;MM84930;C#CCNC(=O)N(O)CC;GIOKXHKCIBAXMK-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84931;MM84931;NCCC=C(F)CF;QTEHFHUSHFBBSU-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84932;MM84932;C=CCC(CN)CN;OPBRDYYWYDROKV-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84933;MM84933;C#CCOC(=O)N(O)CC;IBSDKLWVJAKPSP-UHFFFAOYSA-N;143.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84934;MM84934;C#CC(CF)CCN;OVECATDHPWVSBO-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84935;MM84935;C#CCOC(=O)N(C)OC;VPSPPKMSUWDZDF-UHFFFAOYSA-N;143.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84936;MM84936;C=C(C)CC(CCO)NC;BOJKZQDTWYQCHB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84937;MM84937;COCC=CCCN;WSUYNLNLHRMNCI-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84938;MM84938;CC#CC=NNCCC#N;KRHCOIMPSOTURJ-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84939;MM84939;C=C(CCOC)C(O)C=O;QTFRCPXARRYOKK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84940;MM84940;CON=CC(F)C=NN;WSMQNRZFNIEPJD-UHFFFAOYSA-N;133.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84941;MM84941;C=C(COCC)C(O)C#N;BHSLSDXLVUYAHE-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84942;MM84942;C=CC(O)C(=O)COCC;ZEAPMQHNUFRCGX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84943;MM84943;NCCC=COC=O;LYMNJBUNLZDVHK-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84944;MM84944;NCCC=C(CF)CCO;JJMUBXXEGZFOEN-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84945;MM84945;CCCNC(=O)C(C)C=O;IRGVMODUWTYRRY-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84946;MM84946;C#CC(=CCCN)CO;FCVCYLVKWPVSOT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84947;MM84947;CCNNC(=O)C(F)C#N;YAPZGKSQKNNURW-UHFFFAOYSA-N;145.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84948;MM84948;C=C(C=O)NC(=N)C(C)=O;ALHKIYFLUCZEKF-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84949;MM84949;CCONC(=O)C(C)C#N;RLRPWXYYFWVTDC-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84950;MM84950;C=C(OCCO)C(C)C#N;IJWBMJIRVBMXSD-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84951;MM84951;C=CC(O)C(=C)OCCO;FRVZOYWBVYOIDI-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84952;MM84952;C=C(OCCO)C(O)C#N;HYFGVHZQZKDFHU-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84953;MM84953;C=C(OCCF)C(O)C#N;UFEYUYHDRVPIOQ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84954;MM84954;CC(C)(C)C(CN)CN;NKMQNKNMUHHDAN-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84955;MM84955;CCCOC(=O)C(O)C#N;CXSZJKAAGLEFCR-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84956;MM84956;C=C(CCCO)N(C)C=O;FKMAOHRETOAFCI-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84957;MM84957;CC(C)C(C)(N)C(C)N;XSLRRIURCVRRJU-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84958;MM84958;C=C(CCN)CC(C)F;WMADWJPTQLUICL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84959;MM84959;CC(N)CC(N)C=CF;DPYOLSYPJSYXKE-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84960;MM84960;NCCC=CCO;LUMISFPHMAACCP-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84961;MM84961;CC(=CC(F)F)CCN;FDOVNDKUNRKQIS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84962;MM84962;C=C(C)CC(CN)CN;NHCJQDJTZCCKPD-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84963;MM84963;CC(=O)OC=CCCN;DCAJXAMUVHUGTJ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84964;MM84964;CNCCC(F)CNC;AKSYCWJSBUHVTF-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84965;MM84965;C=C(COCC)N(C)C=O;HAEVCXQPYGKPPO-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84966;MM84966;C=C(CCN)CCCF;LRXUMKBYMSJDCF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84967;MM84967;CC(=CCCF)CCN;JZZCQCLMHCYIJA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84968;MM84968;C=C(CC=CCO)CCN;XKOLSWRLFNGHDY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84969;MM84969;CC(=O)NCC=CCCN;NXUZWICKZRPFMV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84970;MM84970;CC(=CCCN)CCF;LEIUDMXLJCMWKQ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84971;MM84971;NCCC=C(F)CCF;YSVPLOHCZGHJGM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84972;MM84972;CNC(=O)CC=CCCN;ZVYPHZJRUYUCTQ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84973;MM84973;CNCCC=CC(=O)NC;MYPJVBFETYEYOT-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84974;MM84974;C#CC(C#N)C=NNC;MMXNJMBXLOOYCL-UHFFFAOYSA-N;121.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84975;MM84975;C=CN(O)C(=O)NCCC;VEPILZRVYKMNNQ-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84976;MM84976;C=C(CO)CC(=C)CCN;RILANNURWNMANA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84977;MM84977;CC(=CCCO)CCN;IKFJAGPDPREDMN-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84978;MM84978;C=C(C=O)NC(=N)C=O;VCTMYGAHUKRJFI-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84979;MM84979;C=C(OCCO)N(C)C=O;PIQQTUWIVZKKFO-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84980;MM84980;COCC=C(C)CCN;BNQHBKHLUPVLLI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84981;MM84981;CNCC(F)=CCCN;WQXQUQIHYHEKFB-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84982;MM84982;COCC(C)=CCCN;GMAGQNQXOBZWCB-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84983;MM84983;C=C(C)C(F)CCNC;ZRANSLYHSTYPQS-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84984;MM84984;CC(=CCCN)C(C)F;ZVGMAHZGJJBAMW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84985;MM84985;C=C(F)C(C)=CCCN;DQGRDEWXAXBZBJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84986;MM84986;C=CCNC(=N)C(=O)C#N;LPBYQARUPVBBGC-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84987;MM84987;C=CC(O)C=CCCN;MYQAHIAGJROALI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84988;MM84988;C=NN(C)CCCNC;QXFQAQZTTAUHDZ-UHFFFAOYSA-N;129.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84989;MM84989;COC(=O)C=CCCN;YIASMVVBRSAEBL-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84990;MM84990;C#CC(=CCCN)CCO;KJECCFOXLIGFTB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84991;MM84991;CC(C=CCCN)=CF;NQWAIRIQMLNOFS-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84992;MM84992;CC=CC#CC(=N)NC;XFQIBDNUPFDYOB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84993;MM84993;C=C(CCC#N)C(O)C=O;QQMSQFCZYHEZPF-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84994;MM84994;C=CC(O)C(=O)CCC=O;PRVYVWGFWHNQSO-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15535;MM15535;N#CCCC(=O)C(F)C=O;CURSHAJLYWSZQW-UHFFFAOYSA-N;143.12;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84995;MM84995;C=C(CNC=O)C(F)C#N;JSGGVLSIDVRWFS-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84996;MM84996;CCCOC(=NO)NCC;DLVAITCHRKFPTE-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84997;MM84997;NCCC=CCCO;BZYSQKKUJXQUHC-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84998;MM84998;C=CC(=CCCN)CO;XNPUSRBNBVEMJG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM84999;MM84999;CC(C=CCCN)C(N)=O;VUHBXERUYPHXQD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85000;MM85000;C=NNCC(=O)C(O)C#N;CQBXVLOJRKCLAJ-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85001;MM85001;C=NNCC(=O)C(F)C=O;OVOKLBOZDADQEB-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85002;MM85002;C=NNC(=O)N(C)CC;AZYYXWPJFPCINQ-UHFFFAOYSA-N;129.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85003;MM85003;C=COCC(=C)C(O)C#N;WCXQXQGFTGSHEA-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02972;MM02972;CC(C#N)C(=O)COC=O;AUURKSBVOOEOAS-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85004;MM85004;C=COCC(=O)C(O)C=C;YJMNPGXCKDADLY-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15987;MM15987;C=NOCC(=O)C(C)C#N;QQBOAIGFHJDWIL-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85005;MM85005;C=C(C)C(CN)CCCO;DOAPOEKHBJCCSF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85006;MM85006;NCCC=CC=CC(N)=O;HSTYWRFLRSBNNL-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85007;MM85007;CCC(N)C(F)CCN;PGTAQVZEAUDFKZ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85008;MM85008;C=C(CCN)CCCCO;MMQFTKQSFSULHB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85009;MM85009;CC(O)C=CCCN;BOUOOMOUQLCXTO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85010;MM85010;C=C(CCN)CCC(N)=O;FUWDGJMHZMMISO-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85011;MM85011;C#CC(CCN)CCO;IJYRIJPDQVLZBU-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85012;MM85012;C=C(CCN)CCO;YARMDFHKSJQVSO-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85013;MM85013;C=CCNC(=O)C(C)C=O;GCEFPMFYLNGYGY-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85014;MM85014;CC(C#N)C(=O)NCC#N;PDHIGJWTXBWUCU-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85015;MM85015;N#CCNC(=O)C(O)C#N;VATRUVBDGNRUON-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85016;MM85016;C=CC(F)C(=O)NCC#N;KWINYTTWFBYJQS-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85017;MM85017;CC(=CCCN)CCO;VBCOXUWHBHMXRL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85018;MM85018;NC(=NNC=O)C(O)C=O;LCAQZRVOVVFGMR-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85019;MM85019;C#CCC(O)C=CCCN;BWHJEZDQJIIARF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85020;MM85020;CC(C#N)C(=O)NN=CN;HWAQXKKCWMNJJZ-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85021;MM85021;C=CC(O)C(=O)NN=CN;BGMCASZADVALQP-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85022;MM85022;N#CC(O)C(=O)NN=CN;ASJXDJMLMVFFJJ-UHFFFAOYSA-N;142.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85023;MM85023;C=C(OCC=O)C(O)C#N;GMEBFWZWSWPYGB-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85024;MM85024;C=C(OCC#N)C(O)C#N;XPFFBBGTWPGGPT-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15792;MM15792;C=C(OCC#N)C(F)C=O;BRVJRTTZBKEMPR-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02838;MM02838;CC(C#N)C(=O)OCC=O;QZOYAEYWJWQCLG-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02419;MM02419;CC(C=O)C(=O)OCC#N;QNDAHKHELOQELF-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02110;MM02110;CC(C#N)C(=O)OCC#N;ZIOSHAIDJQZLCD-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85025;MM85025;N#CC(O)C(=O)OCC=O;BAIWHRUREIKPBR-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85026;MM85026;N#CCOC(=O)C(O)C=O;FVRNJMHBQVQCGK-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85027;MM85027;N#CCOC(=O)C(O)C#N;YYUFEVOJFAGUIM-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15646;MM15646;N#CCOC(=O)C(F)C#N;VCCPUAPGGQBPMV-UHFFFAOYSA-N;142.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85028;MM85028;C=CC(CN)C(C)CCO;IGELNNHMNPQYME-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85029;MM85029;N#CC(O)C(=O)ON=CN;FTHXKHIJLFLHPC-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85030;MM85030;C=C(CCC#N)N(C)C=O;BHYIMGFDBOMAEG-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85031;MM85031;C=C(CCC#N)N(O)C=O;FUWGWCCCUFFBAR-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85032;MM85032;CNCC(F)C(C)CN;JMYLYTPTYUBFGZ-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85033;MM85033;CC(CCN)=C(F)CN;FYJVWFCXYUEUGZ-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85034;MM85034;CC(=CC(C)O)CCN;NVLISOBFLVIOQL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85035;MM85035;C=CN(C)C(=O)CCC=O;VFBIRYGIMLTNQY-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85036;MM85036;C#CC(CC=C)CNC;BAEWWFQNTGAODQ-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85037;MM85037;C=C(C)C(CN)CCF;CKUCPBVPNFOIQP-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85038;MM85038;CC#CC(=O)C(C=O)=NO;WUJHRTRUJMNIIU-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;"0, -1";"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85039;MM85039;CC(CF)C(CN)CN;NHDNUFBPDQQRTH-UHFFFAOYSA-N;134.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85040;MM85040;C=CC(C)NC(=O)NN=C;KYCKZZDZTYMDSI-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85041;MM85041;C=NN=CC(=O)NN;CZDCQCZHJNSPFG-UHFFFAOYSA-N;114.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85042;MM85042;C=CC(=O)NN=C;QKWNVXNOGFGBDL-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85043;MM85043;C=NN=C(C)C(=O)NN;DEELOCGONWOJIH-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85044;MM85044;CC=NN=CC(=O)NN;DWTXLJMDWKHHEM-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85045;MM85045;C=CC=NN=CC(=O)NN;PFWVIEJDIDXMTF-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85046;MM85046;C=CC(O)CC(=C)CCN;XGFZFPPHYYODHJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85047;MM85047;CC(C)(O)C=CCCN;XBFQIDRZXKINBI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85048;MM85048;C=CC(C)C(CN)CN;UCUCBTPBMIXHAH-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85049;MM85049;C=CC=CNC(=N)NOC;ZYIHHJJLFQCRIT-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85050;MM85050;C=COCC(=O)N(C)C=O;IWSHXJYCWXHRKS-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85051;MM85051;CC=NN=C(C)C(=O)NN;WLZISBPJQFZAHP-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85052;MM85052;C=CC(CN)C(C)CF;WZCKOSRNPBZAEB-UHFFFAOYSA-N;131.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85053;MM85053;CNC(=NN)NC=N;WELLPSRHOOJTCO-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85054;MM85054;CONC(=N)N(C)N;XEGJSPHXHSZJIE-UHFFFAOYSA-N;118.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85055;MM85055;C=CC(C)C(C=C)CN;AHVLPLKVVJDDPL-UHFFFAOYSA-N;125.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85056;MM85056;CC(C)=NN=CC(=O)NN;OOMUIIOLJCQTMM-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85057;MM85057;C=C(C(=O)NN)N(N)C=O;CHTTUEPXGDWBMH-UHFFFAOYSA-N;144.13;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85058;MM85058;N#CCNC(=N)N(O)C=O;XUZJXYGACUQITK-UHFFFAOYSA-N;142.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85059;MM85059;CN(C=O)C(=O)NCC#N;QWJKPWMVWQTXGI-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85060;MM85060;C=CN(O)C(=O)NCC#N;FMRPBCDLMXHYHD-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85061;MM85061;CON=CCOC(=O)NN;UBNNJLMSAMDDRM-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85062;MM85062;CNCCC(=CF)C(C)=O;MWERSIZVTXULFP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85063;MM85063;CNCCC(CF)NC;NNLMHUIXKCXCEQ-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85064;MM85064;NCC(CN)CC=CF;XNBCSYYJBHSUAY-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85065;MM85065;C=C(OCC#N)N(C)C=O;VVDFPTRAVJUHRF-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85066;MM85066;CNCCC(C=O)=CF;SMTWMHXGSRVBPR-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85067;MM85067;C#CC(O)C(CC)=NNC;AYCFAAMRIHAXAQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85068;MM85068;C#CC(=CCCN)OC;RXWROHFDPJLBHQ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85069;MM85069;CC=NNCCCNC;VPJFGOZDHOLPRB-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85070;MM85070;C=NNCC=CCCN;OHJCHXJWZDDRPV-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85071;MM85071;NCCC=CCOC=O;IYAVYXMKCJPJID-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85072;MM85072;C#CC(F)C(O)C=NN;PIDJFTLAHAUKDM-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85073;MM85073;CNCCCNN=COC;BLMWWSCYSRDALF-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85074;MM85074;C#CCC(C#N)=CNC=N;WYJRMWPPVFRSIF-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85075;MM85075;C=CN(C)C(=O)OCC=O;YJTXPPKHTMPRIF-UHFFFAOYSA-N;143.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85076;MM85076;C=CN(C)C(=O)OCC#N;PDQNHZAADTUDTG-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85077;MM85077;C=CN(O)C(=O)OCC#N;UUFHEQSMPURGKK-UHFFFAOYSA-N;142.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85078;MM85078;CNN=CC=CCCN;YOMYLFBTOLZUAA-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85079;MM85079;CNCC(C)(N)C=C(C)F;IECTWCLFPFIRPY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85080;MM85080;C=CN(C=N)NC(C)(C)C;SJGVBVHLGAXOSL-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85081;MM85081;CN=C(NC=N)NCC#N;IWHVBLMOFLVTGH-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85082;MM85082;CCC(N)C(C)(F)CCN;KVCSMKKTNGZYET-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85083;MM85083;NN=CC(=CF)NC=O;RKEYAHDAPSACDT-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85084;MM85084;N=CNN=CC=CCCN;IMAYKOGMJQHKGQ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85085;MM85085;C=CC(O)C=NOCC;BNRHAMFBKMGKDX-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85086;MM85086;CNCC(C)(F)C(C)CN;OAUKEAHXKCUEIW-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85087;MM85087;CN(C=O)C(=O)ONC=O;FWDNQABTDFULEB-UHFFFAOYSA-N;146.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85088;MM85088;C#CC(N)C(C)(C)CNC;QTWYMMDFCYWJTR-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85089;MM85089;COC(=O)C(C)(C)CCN;HUPLDLUMVOWPGJ-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85090;MM85090;CC(C)NC(=N)COC=O;COUOAZGPYPNKSP-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85091;MM85091;C#CCCC(=O)C(O)C#N;OKGIQROFDMKPBS-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85092;MM85092;C=CC(O)COC=NN;BUKTWELHXVTDNH-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85093;MM85093;C#CC=NNC(CO)=NN;FBMJIAZWFBYHOG-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85094;MM85094;C#CCNC(=O)C(C)C#N;VXJNEBZVRXPFLX-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85095;MM85095;C#CCNC(=O)C(F)C#N;FPVNKDNJWCJOHO-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85096;MM85096;C#CCOC(=C)C(O)C=C;SBGAKAKLDJRNIV-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85097;MM85097;C#CCOC(=C)C(O)C=O;QUXOFFXAZLNAQR-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15316;MM15316;C#CCOC(=C)C(F)C=O;ALADDJPOOJGGSA-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15730;MM15730;C#CCOC(=O)C(C)C=O;WVVMGGHSYWXXPX-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85098;MM85098;C#CCOC(=O)C(O)C=C;WJMPKISKWIFGDW-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16040;MM16040;C#CCOC(=O)C(F)C=O;SMCTUMAJLZOOHA-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15648;MM15648;C#CCOC(=O)C(F)C#N;NJUYQHAWZRGGRM-UHFFFAOYSA-N;141.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85099;MM85099;CN(C)CC(F)=CCCN;KGMDGZUTKMAKST-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85100;MM85100;CNCCC(F)C=C(C)C;CYOKJQIZUPJRIU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85101;MM85101;CNCCC(F)C=C(C)F;WQQHWFFUOVHEKL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85102;MM85102;C#CC(CN)C(C)(C)CN;PQOCAEUKEKPRLE-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85103;MM85103;C=C(C)C(N)(CC)CCN;TXICBXYYFCNLOB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85104;MM85104;CC(=CC#N)NC=N;BJBAOFASVDVMKC-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85105;MM85105;C#CCOC(=C)N(O)C=O;HVJVRSVXBLFFQB-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85106;MM85106;C#CC(=N)NN(C)C(C)=N;IZFBLFBFIOMYJH-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85107;MM85107;C#CC(=N)NC(=N)C(=N)N;MQUXYNSPUXOXQA-UHFFFAOYSA-N;137.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85108;MM85108;C=CC(N)CC(=C)C(C)N;ODEKOMNSLLJJBP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85109;MM85109;C#CCOC(=O)N(C)C=O;KDXXGOMEJRENPJ-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85110;MM85110;CC(=CCN)CNC(C)C;HEJDLRCPGBFASF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85111;MM85111;CC(C=NN)N=CN(C)C;SRUAWMMNVYQQBK-UHFFFAOYSA-N;142.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85112;MM85112;C=C(C#CC(C)N)CCN;WAMLCDWWLPOVFQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85113;MM85113;C=C(C)CNCC(C)CN;QGWVKAFBQWECRT-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85114;MM85114;C#CC(O)C(=C)CCCO;QSOZUQBZFXKAAW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85115;MM85115;C#CC(F)C(=O)CCCO;LPSPKNQSDOAOPB-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85116;MM85116;C=CC=NOC(=NN)NO;VNLMKUKFOAIZQR-UHFFFAOYSA-N;144.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85117;MM85117;C#CC(CCN)C(F)CF;BDOOCHZKEQQQFT-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85118;MM85118;CC(CN)COCC=NO;DRFUZROFBSJUSH-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85119;MM85119;CCOC(CCNC)=NO;MUFMAGUWYMETHU-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85120;MM85120;CNN=COCC(C)(C)O;BGOAYVNIEUFQAG-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85121;MM85121;C#CC(O)C(=C)OCCO;GJWTWLBMQYSJFI-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85122;MM85122;C#CC(O)C(=O)OCCC;FBCQHHYCTMEPFY-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85123;MM85123;C=CC(N)CC=CC(C)N;XCLKXGCNHUUVFN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85124;MM85124;CC(=CC(F)CF)CCN;ADXIIRSXFFOZDP-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85125;MM85125;CCN(CC#N)N=CCO;ONPGRVYXJGQCOV-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85126;MM85126;OCC=NNCC#CCF;VYUKQXKMSGLLTQ-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85127;MM85127;COC=NNCC(C)(C)O;ZXGFQHZRSDWKTG-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85128;MM85128;CN=C(NC(N)=O)N(C)C;PWXBSWLERHAIDM-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85129;MM85129;C=NOC(C#N)CC=O;YAPVBCJUKFBCTF-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85130;MM85130;CCC(N)C=C(C)CNC;LMBQPSWYUGJAST-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85131;MM85131;N#CCNC(=O)CNC=N;FZVLVWHAJGLICJ-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85132;MM85132;C#CC(F)C(=O)NCC#N;FMRSFOYRZCTRTQ-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85133;MM85133;C=NNC(C#N)=CC(N)=O;MYKSCAGHOATLSZ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85134;MM85134;C#CC(C)C(=O)NN=CN;GJIBGKMIDALSNQ-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85135;MM85135;C#CC(O)C(=O)NN=CN;DQVHAKXWWPVZQU-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85136;MM85136;CC(O)CNC=CC#N;ABHJGHVQVKXACQ-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85137;MM85137;COC(=O)C=C(C)CCN;UKYAXHIEHJVFCD-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85138;MM85138;C#CC(O)C(=C)OCC=C;CNDBIMQJNSRDAL-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85139;MM85139;C#CC(O)C(=O)OCC=C;UWWNSRHQTBJSQG-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85140;MM85140;C#CC(O)C(=O)OCC#N;TUUNIIQYQBPSCE-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85141;MM85141;C#CC(F)C(=O)OCC#N;SPPFGMKSBKPPHV-UHFFFAOYSA-N;141.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85142;MM85142;C#CC(C)C(=O)ONC=O;HKDMKYFUBGWGDX-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85143;MM85143;CCC(C#N)C(=N)NC;QBIOSFOOBLYVKD-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85144;MM85144;COC(CCN)CN(C)C;HMNHYZBOPRNABE-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85145;MM85145;C#CCCC(=O)C(O)C#C;OARIXNQPDIAADQ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85146;MM85146;C=C(F)CC(CCN)NC;HZYKXXUKPLXLOV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85147;MM85147;C#CC(CNC)CC(=C)C;HWRMQBRVPUCMAA-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85148;MM85148;C#CC(CNC)CC(=C)F;QUPULZWHFZNZKZ-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85149;MM85149;C#CCOC(=O)C(O)C#C;FOHYCYCOYFBLEN-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85150;MM85150;CN(C)CC(=CF)CCN;IUIMMUDULNYEPI-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85151;MM85151;CCC(=CC(C)N)C(C)N;IDFODHRQNRNUPL-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85152;MM85152;CC(=N)NC=NCCC#N;FTLDTNNXKVKLSK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85153;MM85153;CCNN=C(CF)CCO;NYHAROKOGXTNSO-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85154;MM85154;CNCCCNN=C(C)C;FFBXQTWFAFLXJA-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85155;MM85155;NCCCC#CC(O)CF;IDGCKKPAHXINRP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85156;MM85156;CNCCCN(C)CC#N;AGYXZAIZPMVSAV-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85157;MM85157;C=C(CCN)CNCCF;NFOQTBPEMLSGID-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85158;MM85158;C#CC(O)C(C)C(C)NC;VBRLTXYRERLJRO-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85159;MM85159;C#CC=CNC(=N)CNC;ZDFSSJQXVYVFDO-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85160;MM85160;C=C(C#CCNC)CCN;SHKOPXAIPVPDKV-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85161;MM85161;CC(=CCOC=O)CCN;CXLXRPGJRCMCAF-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85162;MM85162;CCCC(N)C(F)CCN;WJCIGWMGZZRLIY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85163;MM85163;NCCCC#CCO;ALFYCRZTRIOPFL-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85164;MM85164;CCCN=C(N)C(=O)NO;LUJDBTNRZZLOIQ-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85165;MM85165;CCCNC(=O)C(=O)NC;GVMXCIHIBKWASV-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85166;MM85166;C=C(C)C(C)C(CN)CN;AUNUXECZPWDTQC-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85167;MM85167;NCCCC#CC(F)CO;IQJPUQDMOLFWFT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85168;MM85168;C=C(CC(C)(C)N)NC=O;FQWPYUAFXMQAOU-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85169;MM85169;COCC=NOCCCO;FPRGHSLXKWVVNK-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85170;MM85170;CC(N)C(C)NCCCF;CTYRBKWGLQNLQS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85171;MM85171;CCON=C(N)C(=O)NO;MZLBIPOOUUHYJI-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85172;MM85172;C=C(CO)C(=O)OCOC;CKKMPQSCPPMGQI-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85173;MM85173;C=C(C)C(O)C(C)CNC;HMXKHNMUYIIZCB-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85174;MM85174;C=NNCCC(N)C(C)C;SEXBOMPMQIALIS-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85175;MM85175;C=C(OCCC)C(=O)NO;PYCBWEJULTUUHC-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85176;MM85176;CNCC(C)C(O)C=CF;HWPMTCDXULNUIW-UHFFFAOYSA-N;147.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85177;MM85177;NC(=NO)C(=O)OCCO;RDKZPCHKKKEZLB-UHFFFAOYSA-N;148.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85178;MM85178;CCCOC(=O)C(=O)NC;QIBGMPXDYBNMTR-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85179;MM85179;CNC(=NC(C)CO)NO;UXCXUBSIOKITKR-UHFFFAOYSA-N;147.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85180;MM85180;CCNN=COCCCO;QBCHDPJVSXQBIW-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85181;MM85181;C=C(OC)C(=C)OCCO;OVWORJVZXBKWSV-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85182;MM85182;C=C(OC)C(=O)OCCO;KUYDCNLXHYHEHK-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85183;MM85183;C=C(OC)C(=O)OCOC;PJUWZOXRQNMPSX-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85184;MM85184;C=C(CCC#N)C(=O)CO;VQZOROFCFCYNDW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85185;MM85185;C=C(CO)C(=O)CCC#N;LIUNFDOMZAFYNT-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85186;MM85186;C#CCNCC(C)C(C)N;ZEWQFQFBLFWPAH-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85187;MM85187;CC(C)=CCN(O)C(=N)N;VDYXFGXQPGSRBU-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85188;MM85188;CC(F)=C(C)C=CCCN;OPXBHNLEZULSLR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85189;MM85189;N#CCCC(=O)C(N)=NO;QPVFJDCSTFTMKU-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85190;MM85190;CNC(=O)C(=O)CCC#N;CONURJFJJUSVID-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85191;MM85191;C=CC(O)C(C)CNC;OQYPKIYKPIIALJ-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85192;MM85192;C=C(CC)C(=O)CNC=O;NMLOGGYYLIJMIX-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85193;MM85193;CCC(=O)C(=O)CNC=O;SRBIKUNYUJDWEV-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85194;MM85194;CC(C)=C(F)C=CCCN;IDWLTCHLCHFODF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85195;MM85195;COC=NNC(C)CCO;ZBGOQQMBUYCOEJ-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85196;MM85196;CC(CCN)=C(F)C(C)N;CNZBMOOKPLJUJQ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85197;MM85197;C=COCC(=O)C(=O)NC;JEEUFCCJVFNPCO-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85198;MM85198;CC(F)=C(NC=N)NC=N;IDCOANMZZGPARW-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85199;MM85199;C#CC(N)(CC)CCNC;BRPPDSHBLCJEMJ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85200;MM85200;CC(C#CC(C)CN)CN;HGKQACOLFYWUOP-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85201;MM85201;N=C(C#CCCCN)NO;NWUHRERWCOPFEX-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85202;MM85202;C=C(CC)C(=O)NCC#N;VSVIWSKDVZJQRF-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85203;MM85203;C=C(CO)C(=O)NCC#N;ZRPOELVPRTYGKJ-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85204;MM85204;C=C(CF)C(=O)NCC#N;DTGYNCWQYIDATP-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85205;MM85205;CNC(C)CC(OC)OC;VGHIVTCVGIURQI-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85206;MM85206;C#CC(ON=C)OC(C)=O;UHVLDCKXTMZFSK-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85207;MM85207;C#CC(=O)OC(=N)NN=C;DYOKQJQRUNHSEW-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85208;MM85208;C=NN=C(NC)OC;ZLCCMWQXVJDMFY-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85209;MM85209;N#CCNC(=O)C(N)=NO;VEJVKHHXCGTNCR-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85210;MM85210;C#CC(CC)NN(C)C=N;JWWYCXSEXAUYEN-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85211;MM85211;C=C(OC)C(=O)NCC#N;DRBJRPXWACMJOX-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85212;MM85212;COC(=O)C(=O)NCC#N;LCKQFABUWVXQKN-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85213;MM85213;CCC=NOC=NN;CWSCSOMZLPPEDX-UHFFFAOYSA-N;115.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85214;MM85214;CCC(CC(N)CO)NC;GUMWYLKGDXHAJR-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85215;MM85215;NC(=NNC=O)C(=O)CO;OSMRIZVHMSEQGJ-UHFFFAOYSA-N;145.12;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85216;MM85216;C=CCC(CO)CNC;JZZQSTMFKDDJQW-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85217;MM85217;C#CC=CC(=NN)OC;MXSJYAQHVISYOH-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85218;MM85218;CNCC(CO)C(C)C;RUCGLTUZJPWFOZ-UHFFFAOYSA-N;131.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85219;MM85219;C=NOCON=CCC#N;QPMQGTQVVNVSIH-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85220;MM85220;CCC(=O)C(=O)OCC#N;ZXTIAPGJMFYPMB-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85221;MM85221;N#CCOC(=O)C(=O)CO;SJMZKOWGCMCLGR-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85222;MM85222;C=C(CC)CC(CN)CN;FCQZDIRSUFMVON-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85223;MM85223;CC=NN=C(N)C(O)C=O;ITTZNYXEARVCGR-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85224;MM85224;CC(CN)C(=CCO)CF;SRUNYIOHFOZDIZ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85225;MM85225;C=C(OCC#N)C(=O)NC;IASUTSRJMLKDRF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85226;MM85226;C=C(OCC#N)C(=O)NO;XFPOZABYUAQACQ-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85227;MM85227;C=C(CF)CC(CN)CN;UYTLPTHRHLAVPS-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85228;MM85228;C=C(C#CCCCN)CO;OFMWWRZDJHALMC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85229;MM85229;N#CCOC(=O)C(N)=NO;IAJOFEKBQGNTOU-UHFFFAOYSA-N;143.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85230;MM85230;C=CCOC(=O)C(=O)NC;SGPJKKKDROJKJP-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85231;MM85231;CNC(=O)C(=O)OCC#N;WDKWXCZZFFRWSB-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85232;MM85232;C=C(OC)C(=O)OCC#N;UPYFYYBIKLDQTE-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85233;MM85233;COC(=O)C(=O)OCC#N;QATUQIJBCSUWRV-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85234;MM85234;CNC(C)(C)CCO;VQOUDUVJUBAXKV-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85235;MM85235;C=C(F)C(CCN)CCO;UVORARFRNVIGIU-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85236;MM85236;NCC(C=CCO)CCF;INLGFJKQBLWIHU-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85237;MM85237;NCCCC#CCCO;OLXXNLABOGINDE-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85238;MM85238;C#CCNC(=O)C(=C)CF;KDGBWHKUALNWQJ-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85239;MM85239;C#CCNC(=O)C(=O)OC;ISEURNCKTHCKJP-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85240;MM85240;C#CCOC(=C)C(=O)CO;FYBQTBBYUYGXLK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85241;MM85241;C=CC(=C)CC(CN)CN;SDFKRYCCQNCRCU-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85242;MM85242;C#CCOC(=O)C(=C)CO;CNCPRDMBONHFFW-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85243;MM85243;C#CCOC(=O)C(=O)CC;DRONKQJPGISSPT-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85244;MM85244;C=CC(CN)CC(=O)OC;YASADXZPAWGQFS-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85245;MM85245;C#CCOC(=C)C(=O)NC;SUALTGNZYQGMMR-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85246;MM85246;C#CCOC(=C)C(=O)NO;ZEDGPPZRSKZOQC-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85247;MM85247;CC=C(C)CC(CN)CN;VDDXOFGMVAIZOI-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85248;MM85248;CNCCCC(=O)C(C)=O;XIWPBCNOVVFMAP-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85249;MM85249;C#CCOC(=O)C(N)=NO;YAPFJNVJUTZNGH-UHFFFAOYSA-N;142.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85250;MM85250;C#CCOC(=O)C(=O)NC;YEWZZBRTCXZYNT-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85251;MM85251;C#CCOC(=O)C(=O)NN;UZGRDWJDYGPVFY-UHFFFAOYSA-N;142.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85252;MM85252;C=CC(=C)C(=O)CCCO;REAFPOQJSMGUCV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85253;MM85253;C=C(C=O)C(=O)CCCO;XBHMWXQQOHWOFA-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85254;MM85254;N#CC(=O)C(=O)CCCO;HVEIPMFLRKFZKE-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85255;MM85255;CC=C(F)CC(CN)CN;LFDUGRZZXIGQJV-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85256;MM85256;NCCCC#CCC(N)=O;SYBBRZYXBYTZPP-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85257;MM85257;COCCC(=O)C(=O)C#N;ZTMRPCMEQRWQND-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85258;MM85258;C#CC(C#C)=CN(C)C=N;GPJMZTNHYUJNBZ-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85259;MM85259;C=CC(=NN=C)C(=O)NN;LZRAIFKPEMYQHG-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85260;MM85260;C=C(COCC)C(=O)C=O;CRCORMJISMEGTE-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85261;MM85261;CCOCC(=O)C(=O)C#N;CSVXKSWTFKPFPY-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85262;MM85262;C=NN(C)C(=O)NN;NRMXINULZNHRTN-UHFFFAOYSA-N;116.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85263;MM85263;C#CC(C)(O)C(C)=NNC;SBMPVCQNMJZKDY-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85264;MM85264;CCCNC(=O)C(=O)C#N;OKLIRGIRZKZUOY-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85265;MM85265;CC(C#CCCCN)CO;DRSDKGAALZAWNO-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85266;MM85266;C=CC(CN)CCCCO;KDNDUQPSRXTEBJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85267;MM85267;C=C(OCCO)C(=O)C#N;MTBGPKFEPSQYDF-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85268;MM85268;C=C(C#N)C(=O)OCCO;FCDPKPULJHOKEK-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85269;MM85269;C=C(OCOC)C(=O)C=O;DUPIVOCGLFCLHX-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85270;MM85270;C=C(OCOC)C(=O)C#N;FEOLHNRIBFSIHX-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85271;MM85271;C=CC(=O)C(=O)OCOC;GSTDWEMRIUEERV-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85272;MM85272;COCOC(=O)C(=O)C#N;UZLJRUQFYMRQKZ-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85273;MM85273;C=C(C#N)C(=O)CCC#N;BXLQMYURSGDSIH-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85274;MM85274;CC(C)=CCC(CN)CN;MFWMQRHTQWVRFX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85275;MM85275;C=C(C=O)C(=O)CNC=O;KWBIRQSQEBAUHV-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85276;MM85276;C=CC(CN)CCCO;UVYWWHWWFOZEIS-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85277;MM85277;O=CNCC(=O)C(=O)C=O;XALXQLZYOOXEFR-UHFFFAOYSA-N;143.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85278;MM85278;CC#CCNNC(=O)NC;GUGLRZDPTVOGJB-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85279;MM85279;C#CC(O)C(C)=NNC;DMMSTGALFFTDRA-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85280;MM85280;NCC(C=CF)CCCO;RBRREJMSDMCRIP-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85281;MM85281;CC(F)=CCC(CN)CN;MZIACDLSAVAEAK-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85282;MM85282;CCC(N)C(N)C(C)CN;AJWQCHYJWDWTLD-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85283;MM85283;CCNCC(F)CCNC;ACTMBIBXRVVMCU-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85284;MM85284;N#CCN(C=N)C(N)=O;XSZXDMDZIXNVJW-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85285;MM85285;C=C(CCCO)C(C)CN;GNKQHNCLIDABRN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85286;MM85286;C=CCNC(=O)C(=C)C=O;PPTKCQQERHIFRK-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85287;MM85287;C=C(C#N)C(=O)NCC#N;ZKTGUVSJNFPAPX-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85288;MM85288;C=CC(=O)C(=O)NCC#N;KLMCGQLLZSGVJM-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85289;MM85289;N#CCNC(=O)C(=O)C=O;VSPJOINHTSBUSS-UHFFFAOYSA-N;140.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85290;MM85290;C=C(OCC#N)C(=O)C=O;FPHVBSBRVADQBO-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85291;MM85291;C=C(C=O)C(=O)OCC#N;BWLSJAATSAOCHH-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85292;MM85292;C=C(C#N)C(=O)OCC#N;WCXBOCLHPHATRQ-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02327;MM02327;C=CC(=O)C(=O)OCC=O;ZNYCKPIKBFRCIU-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85293;MM85293;C=CC(=O)C(=O)OCC#N;ZIQRXCXWPYYQRZ-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02320;MM02320;O=CCOC(=O)C(=O)C=O;PWAVOKQEXTZKFZ-UHFFFAOYSA-N;144.08;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85294;MM85294;N#CCOC(=O)C(=O)C=O;RBYHAEVWWKWOQR-UHFFFAOYSA-N;141.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15665;MM15665;N#CC(=O)C(=O)OCC=O;QKBMYAPTOVMGGN-UHFFFAOYSA-N;141.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85295;MM85295;N#CCOC(=O)C(=O)C#N;DXTRCPHMEXQMJY-UHFFFAOYSA-N;138.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85296;MM85296;COCOC(C)=CCCN;LHKRTXGDYNRGGQ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85297;MM85297;C=CC(=O)C(=O)ONC=O;ATWDXDYFAMIPJV-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85298;MM85298;C=CC(CCN)C(=C)CO;IRBQQXJMEMGMQE-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85299;MM85299;CN(C=N)N(C)CCC#N;AUORKOIAISVECX-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85300;MM85300;NN=C(CO)CC=CF;MFKPOPFHHKOQKD-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85301;MM85301;C#CCNC(=O)C(=C)C=O;MQWBMBJMENKHHY-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85302;MM85302;C#CCNC(=O)C(=C)C#N;ZZNLQPHHPRAMGW-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85303;MM85303;C#CCNC(=O)C(=O)C=C;GXUZSANBJAONSW-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85304;MM85304;C#CCNC(=O)C(=O)C#N;SQFPWKWYJUKEJS-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85305;MM85305;C#CCOC(=O)C(=O)C=O;ZHOCYKHHRPQNIO-UHFFFAOYSA-N;140.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85306;MM85306;C#CCOC(=O)C(=O)C#N;DEVSEFIQZNQMLH-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85307;MM85307;C=C(CCO)C(C)CN;HAUUANVDYZKITI-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85308;MM85308;C=NNC(=NC)N(C)C;NBUUSXGQXZNRHJ-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85309;MM85309;C=CCN(C)C(=N)NN=C;JFDBRPJVVQBRIL-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85310;MM85310;CCNC(=N)NN=CCN;OAMBHAFDBAKIFO-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85311;MM85311;CCC=NNC(=N)NC;IZJWKQSHMMTJBU-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85312;MM85312;CON=CCO;MBBQSQDXYVJQIO-UHFFFAOYSA-N;89.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85313;MM85313;CCC(C=O)N=C(C)N;MXEKUXPKWAPLMI-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85314;MM85314;C#CC(=C)C(=C)OCCO;FSFLZEIJACRJIB-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85315;MM85315;C#CC(=O)C(=C)OCCO;AIYFMSPBSDXIRJ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85316;MM85316;C#CC(=O)C(=O)OCCO;CNDZBQADSJATFU-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85317;MM85317;C#CC(=O)C(=C)OCOC;WIZHEEQGYYRPJL-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85318;MM85318;C#CC(=O)C(=O)OCOC;NWRFIFCAHHZJQX-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85319;MM85319;C#CC(=O)C(=O)CCC#N;ATLDJKXPNVTMMK-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85320;MM85320;C#CC(=O)C(=C)CNC=O;FMFCCUOXQKUUCA-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85321;MM85321;C#CC(=NN)NC(=N)N;WMTIDHZOKGRTBQ-UHFFFAOYSA-N;125.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85322;MM85322;CCC=NN(C)C(=N)NC;CHXVXCKDGFBBSM-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85323;MM85323;C=CCN(O)C=NOC;RZPIEQUNBSUJIR-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85324;MM85324;CCC=CNC(=NN)NN;BJPQQULITBLVJO-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85325;MM85325;C#CC(=O)C(=O)NCC=C;RJWDKINQTNYTDE-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85326;MM85326;C#CC(=O)C(=O)NCC#N;YSEPUQGMDHBRHD-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85327;MM85327;CC(C#CC=O)N(C)C=N;MJJTVJAUYQRBAY-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85328;MM85328;C#CC(=O)C(=C)OCC#N;AVUCTXGOBKOAKU-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85329;MM85329;C#CC(=C)C(=O)OCC#N;XJMFBOVVPAWMBG-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15667;MM15667;C#CC(=O)C(=O)OCC=O;IRRCKZWZHQAMAA-UHFFFAOYSA-N;140.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85330;MM85330;C#CC(=O)C(=O)OCC#N;NQYWZZQTHXETAG-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85331;MM85331;C=C(C#CCN)C(C)CN;CZUWOBLVBOJKPM-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85332;MM85332;C#CC(=C)C(=O)ONC=O;XCXDTNWUFNNKCL-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85333;MM85333;C=NNC(=N)C(F)C=O;BZMIWMKQTMGWOP-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85334;MM85334;C#CC(=O)C(=O)ONC=O;SVICAZHULJHTFI-UHFFFAOYSA-N;141.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85335;MM85335;C#CCCC(=O)C(=O)C#C;NTTLTARFLXSGQP-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85336;MM85336;CN=C(C)NC(=NN)NC;AVOSLSIJGJRDDG-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85337;MM85337;C#CCNC(=O)C(=C)C#C;DPVMETXRZOWEKX-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85338;MM85338;C#CCNC(=O)C(=O)C#C;DJEYKWGPZNQLSV-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85339;MM85339;C#CCOC(=C)C(=O)C#C;VSECPISCZAMMBV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85340;MM85340;C=CC(N)C(F)=CCCN;JNGTUYDKRWUIGT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85341;MM85341;C#CC(N)C(F)=CCCN;HVMZADBICVDZLZ-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85342;MM85342;CC(=O)N(N)C=CC(C)O;RLZKHRDCJHYSCY-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85343;MM85343;CC(F)C(CCO)=NN;LXZUVALNBOXJRM-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85344;MM85344;COC(C)OC=CCCN;YXLZDGCRHNJWOB-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85345;MM85345;COC(=O)CC=CCCN;VPYULLWZEPQPJF-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85346;MM85346;NCCC=COC(=O)CF;FNDAUDGXQGWAOF-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85347;MM85347;CN=C(NC=NN)C(=N)N;YQDOBQMUFJGBCM-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85348;MM85348;COC(=O)OC=CCCN;GVUIVNIBXAQITD-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85349;MM85349;C#CC(=O)C(=C)CCNC;NNHXPMSZHQWLFB-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85350;MM85350;CNCCC=CN(C)C=O;NOFNSZPPEZKEHX-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85351;MM85351;CC=CCC(O)C(O)C=O;OLSYJGZYBXQIAZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85352;MM85352;N#CC(O)C(F)CC=NO;KQVLFRVCRDOZFM-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85353;MM85353;CN(N)C(=N)NC=NC=N;VNIBNGBRTQSYIL-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85354;MM85354;C=C(CCNC)C(C)=O;YKDIBAJBSGCUSK-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85355;MM85355;CC=NOC(C)C(O)C#N;DTPRNZLQXSTHQA-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85356;MM85356;C=CCC(NC)C(N)C=C;BGTFDCQZWPGEHA-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85357;MM85357;C#CC(=NNC)C(C)C=O;RMUXWHHYEQMFHI-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85358;MM85358;CC(C)=NNC(N)=CC#N;ZOZSQJFQCNCGLC-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85359;MM85359;C=NNCC#CCCCN;GNIAWPRUBJJKMM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85360;MM85360;C=CC#CC(CCN)=NO;IDORDFHCIJFRDB-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85361;MM85361;C#CC(=NN=C)NN=C;AFCFXYBGOZZIJD-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85362;MM85362;C=CC(CCN)C(=O)OC;QDYXMNFTMROZLN-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85363;MM85363;C#CC(CC=NN)CNC;QTNUVWFRDFPCQE-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85364;MM85364;C=C(C#CCO)CCCN;VBOOVYDYCZWPHM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85365;MM85365;CC=CCC(O)C(=O)CO;LQCGBEFGCRRLRQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85366;MM85366;CC(C#CCO)C(C)CN;RBVLBEFQQMAMJC-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85367;MM85367;CNCCC(C=O)=COC;HPEDPKYAPSGAFI-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85368;MM85368;COCC(=CCCN)OC;LMGMLRGNQKOOOV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85369;MM85369;C=NNC=C(C#N)C=O;QDSNGFDEBQOTDH-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85370;MM85370;CC(C=C(F)CO)CN;MSIPIZSFBIJHDB-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85371;MM85371;C#CC(F)C(=N)NN=C;UNNBDGHVTWJATO-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85372;MM85372;CNCCC(NC)C(C)F;YKCSRFZVGJARJY-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85373;MM85373;C=NOC(=NN=CC)NC;PHWQJJBQOAEMBV-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85374;MM85374;CNCCC(C=O)=C(C)F;QPMCAYONTJYLIP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85375;MM85375;C=CC(CC)C(CN)CN;UQWUTXJGEWEMLO-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85376;MM85376;NCC(CN)CC=CCF;AKIFBQWMXWGCSC-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85377;MM85377;C=CC=CCC(CN)CN;LIVDXJHDMMLCLX-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85378;MM85378;C=C(C=CC)N(O)C(=N)N;QZALHPKKSZEQCI-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85379;MM85379;C=NN=CCC(CN)CN;NEEBPCVFNJIIKE-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85380;MM85380;CC=NNC(=N)C(=O)OC;PHIVEJMGACOXTD-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85381;MM85381;C#CC(O)C=CC(C)CN;ZVXXVPDLJMCDHC-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85382;MM85382;CC=CCN(N)C(=O)NO;LVUVJQRJSNRTRY-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85383;MM85383;CNN=CC(=O)N(N)C=N;CBKXJNFDVUWNHE-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85384;MM85384;CC=CCN(O)C(=O)NC;OLMFRRSDKALROH-UHFFFAOYSA-N;144.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85385;MM85385;CC=CCN(O)C(=O)NN;UJULIAMBIOKNOU-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85386;MM85386;COC(C=CCCN)OC;ABXAVVMCDPOUSZ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85387;MM85387;C=CN=C(CO)NC(C)C;VGOMJVDTZUOHAU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85388;MM85388;CCNN=C(C)OC;OEDPKQRNGZDCPI-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85389;MM85389;COCCOC=NN;IXYJNOZOEIDYJB-UHFFFAOYSA-N;118.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85390;MM85390;C=COC(C=C(C)N)=NN;AHFQSCZOBSAOEH-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85391;MM85391;C=CCC(C)(O)C(C)NC;BBWRIFFSLSURIU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85392;MM85392;COC=CC(=NN)OC;HRRLOMYCJZXTIG-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85393;MM85393;CC=CCC(O)C(=O)C#N;DRHLUEGZCULQTL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85394;MM85394;C#CCC(C)C(CN)CN;RJPDKPIXEVGDOX-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85395;MM85395;CC(C)NC(C)C(C)O;WVAAPUJBEYSPKS-UHFFFAOYSA-N;131.22;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85396;MM85396;CN(CC=CF)C(=O)C=O;GSALHFPIJNCINH-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85397;MM85397;CN(CC=NO)C(=N)C#N;BMVFOURJMKXRAH-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85398;MM85398;CC(C=C(CO)CF)CN;PTFQWBLQGPPBLK-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85399;MM85399;C=CC(CNC)C(=C)CO;UOBZMFWIESKJOA-UHFFFAOYSA-N;141.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85400;MM85400;C#CC(=C)C(O)CC=NO;JDPNMHJYBCVYKG-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85401;MM85401;COCOCC=CCCN;UVXUJBSLZFIWAF-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85402;MM85402;CCOCOC=CCCN;VEIOZZXQTUHQJW-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85403;MM85403;C#CC(=O)N(O)CC=CF;VBQIGAZASWUJCZ-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85404;MM85404;CC=NNCC=CCCN;PXUMCTURSYRNBR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85405;MM85405;C#CC(=O)N(C)CC=NO;FZHHHWPMTJSZNX-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85406;MM85406;C#CC(=N)N(O)CC=NO;DKTYJVRJKUNNAP-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85407;MM85407;C=NN=CC(C)=NN;PTDRKUAFJGZZGQ-UHFFFAOYSA-N;112.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85408;MM85408;C#CC=NNCC=CC#N;YNUKCZOSTJDFBI-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85409;MM85409;CNC1CC1;VEBLEROFGPOMPB-UHFFFAOYSA-N;71.12;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85410;MM85410;CC(=NCC(C)CO)NN;DFEULRXKBZCYGS-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85411;MM85411;C=C(CC=CF)C(O)CO;WWUUVMJBDKICLY-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85412;MM85412;C=C(CC=NO)C(O)CO;BCPGMSXNHYBUOD-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85413;MM85413;CCN(N)C=N;MPVDOINNRPAFJK-UHFFFAOYSA-N;87.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85414;MM85414;C=NNC(=O)C=CN;KFSVJHPAZPULAT-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85415;MM85415;NNC(=O)CO;LIUCWHQVLKSECA-UHFFFAOYSA-N;90.08;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85416;MM85416;CC=CNC(=O)C(F)CO;SHHGIOZUUJFUSL-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85417;MM85417;C#CCCCN;LMDDPGHBJXJGAC-UHFFFAOYSA-N;83.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85418;MM85418;CCC(CN)CN;GLXTZKCNKVYLPF-UHFFFAOYSA-N;102.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85419;MM85419;NCCCC(F)=CCO;ZUXNZLHKKLFSPS-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85420;MM85420;CCC(C)C(=O)NC=NN;WAORKNWDSQGQHI-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85421;MM85421;C=CC(CC)CN;VUKOLUDZTXFTAM-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85422;MM85422;CC(=NN)C(O)C=CF;WWTGJPXDVUKZKF-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85423;MM85423;C#CC1CC1CN;QNDHLOFCABYULS-UHFFFAOYSA-N;95.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85424;MM85424;CC(O)CC(CF)CCN;FETDSDPODQKYRJ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85425;MM85425;C#CC(=CC(C)CN)CO;YEBOQAMWDNEWSA-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85426;MM85426;CC=NNC(=O)C(O)CF;RYCFUJVIHTWCJU-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85427;MM85427;CC=NNC(=O)C(C)OC;PDHLBVBOMZLWCL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85428;MM85428;C=CC(C)(N)CNC;CPEOVDHHDBEIHI-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85429;MM85429;C#CCC(N)C(C)C;MRJJJYLASQXSCD-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85430;MM85430;C#CC(=NN)N(O)C=NN;GMRAAUKGYHWQKO-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85431;MM85431;CC(=CF)C(C)CN;VYGMYASECUYBAW-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85432;MM85432;CC(=NN)C(C)(F)CO;ZEWSPXUVUGVXPH-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85433;MM85433;CN(C=N)NCC#N;MCEPYWDNDRFGFE-UHFFFAOYSA-N;112.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85434;MM85434;CC=NOC(=O)C(O)CO;IGFYXKDIFSJVCP-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85435;MM85435;C=C(C=O)CCNC;MHSAGURHNODIOI-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85436;MM85436;CC(C=CCO)CN;YACLKDRHZFGBIG-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85437;MM85437;CCN(C)C(=O)CC=NO;VQEGMNZNSZTTGU-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85438;MM85438;NCCC(C=CCO)CF;RETUMPFWNBCYTA-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85439;MM85439;CCC(=NN)C(F)CO;SJWLTYFCZGHUHP-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85440;MM85440;CC=CNC(=O)N(O)CC;FESRNSPOAQTCRV-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85441;MM85441;CC(C)(O)CON=CCO;JXGIXPSPXZGBNW-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85442;MM85442;C#CC(=C)C(CO)=NNC;JEOZAPWMMZVLSI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85443;MM85443;C#CC(=NC)N(N)C(N)=O;ARYUAWXBWDVNBT-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85444;MM85444;CC=NNC(=O)N(C)CC;MIKOUIYTEIVTFU-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85445;MM85445;N=CNC(=N)C(N)C(=N)N;KKNPFDDCSSSKRX-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85446;MM85446;NCCC(CF)CCCO;RBKRPOPGMQUZIS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85447;MM85447;COC(C)CON=CCO;MIYDQHMAGOUPLN-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85448;MM85448;C#CCC(C)=NOCCO;KNDWEJPTHVVKAI-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85449;MM85449;C=C(CO)COC=NN;IERDNHBLSVTKII-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85450;MM85450;CCC(=N)NC=NC;OZFXLXLCGXTZDO-UHFFFAOYSA-N;113.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85451;MM85451;CCCC(CN)CN;HSLUUDBZCZUDIW-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85452;MM85452;NCC(CN)CCF;KREZJIZUZYRJBW-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85453;MM85453;CC(C#N)C(=O)CC=NO;SZPXEWISNKGLDA-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85454;MM85454;C=CC(CN)CCF;VZKBJQCPOOMZIJ-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85455;MM85455;COC(=N)N(C)C(N)=O;JBQBGSQZDJZYBF-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85456;MM85456;CC=CNC(=O)C(C)C=O;JAPGVUZHZXNHEO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85457;MM85457;CC(O)C=CC(C)CN;BOVKESXSJFPFAJ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85458;MM85458;C=C(CO)C(C)CCN;JRWCRBDFUPCZAD-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85459;MM85459;C=C(NC=NO)C(O)C#N;RXWCMMSKRYIXSO-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85460;MM85460;NN=COCC=CCO;MRMGYQFISOIGJG-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85461;MM85461;C=CC(F)C(=N)NC=NO;WVOYNCFCHCUTTB-UHFFFAOYSA-N;145.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85462;MM85462;CC(C=CC(N)=O)CCN;XRCMBYTWOOBABA-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85463;MM85463;NC(=NC=NO)C(F)C=O;DRSKQJQTRCNHLQ-UHFFFAOYSA-N;147.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85464;MM85464;N#CC(F)C(=N)NC=NO;SVBURIJNNXMPEJ-UHFFFAOYSA-N;144.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85465;MM85465;C=CC(C)C(=O)NC=NO;PCTOFMPGJHNCBF-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85466;MM85466;C=CC(F)C(=O)NC=NC;CIFXWVPZJPTRLA-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85467;MM85467;C=CC(CCN)CCO;NOHKUNFCVPROFD-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85468;MM85468;CCCN(C=N)C(=O)CF;FBRZABFZROPOEZ-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85469;MM85469;C=NNC(C#N)=C(N)C=O;FAOUETKMEWMZGW-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85470;MM85470;CC=NNC(=N)C(O)C#N;OZVUBRDROQPFHC-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85471;MM85471;CC=COC(=O)C(O)C#N;UFFUIEHIQHHGLH-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85472;MM85472;CCCNCC(C=O)CC;AKPBTMKNHIPCMN-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85473;MM85473;CC(C#N)C(=O)OC=NO;AIEMSJQXIVIODR-UHFFFAOYSA-N;142.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85474;MM85474;C=CC(O)C(=O)ON=CC;OVXVPYBLUHUHKS-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85475;MM85475;CNN=C(NN)C(=N)NC;OIPINVJGBNIYKD-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85476;MM85476;C=CC(C=C)CCN;KGLLUXBCZIVSQO-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85477;MM85477;CC(C)C(CN)CN;LBDGNOZZXKARJB-UHFFFAOYSA-N;116.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85478;MM85478;C=CNC(=NN)C(=N)NC;WLYIQJBOZLQIPR-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85479;MM85479;CNN=C(NC)NC=N;AEAJRAJMJVUZHP-UHFFFAOYSA-N;129.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85480;MM85480;C=NNC(C#N)=NNCC;NRDSVEWMMQZOSL-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85481;MM85481;CNN=CN(C)N=COC;MKUDYNBIMYTYNS-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85482;MM85482;CNNC(=N)NOC;VFKUTRISWXOULG-UHFFFAOYSA-N;118.14;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85483;MM85483;C=NNC(N)=C(C#N)C=O;XSSZGTPUBVQXND-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85484;MM85484;CCCONC(=N)NNC;NLRMKIRINIICSY-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85485;MM85485;C=CN(O)C(=O)NC=NC;CCCVKPXUDCDPDM-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85486;MM85486;C=NNC(C#N)=NN(C)C;LMJBRSXXDCBMML-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85487;MM85487;C=NN(C)C(=O)NC=NN;DKMSHERGNPDDIN-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85488;MM85488;C=CN(N)C(=O)C=NNC;QHZUCJKHFROAAY-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85489;MM85489;CCNN=COCCOC;GKHOMFNQODCPCZ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85490;MM85490;CC(C)(C)ONC(=N)NN;FJYYSPNBWUTGHK-UHFFFAOYSA-N;146.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85491;MM85491;CC=NOC(C=CN)=NN;VHQJWKYYPFLMIP-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85492;MM85492;CC=NNC(=N)N(O)C=O;CIBZPZYRMZMQQU-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85493;MM85493;C=CN(C)C(=O)NN=CC;WUVLTHRETRCPSY-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85494;MM85494;CNN=C(CCCN)OC;RRUYTVBMKBQQDR-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85495;MM85495;COC=CCOC=NN;OQUAIICOWMJOJF-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85496;MM85496;C=NN(C)C(=O)NN=CC;VQMIBOHKOQZBAO-UHFFFAOYSA-N;142.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85497;MM85497;C#CCOC(C=CN)=NN;YRMHIZPPUBEFAZ-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85498;MM85498;C=C(OC=NN)N(O)C=O;MHJSYIUBLLVDGQ-UHFFFAOYSA-N;145.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85499;MM85499;N=CNC(=CC=NN)CF;VZVWRXAJVRXAQE-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85500;MM85500;C=NNCC=C(C#N)C#N;MISDIXHJTKERNP-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85501;MM85501;C=CN(N)C(=O)C=NN;XVQYYPDYFVTAEZ-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85502;MM85502;C=CN(O)C(=O)OC=NO;XRILHRLDWXQFAJ-UHFFFAOYSA-N;146.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85503;MM85503;C=CC(CN)C(C)C;QUGKEGYRLPCRSE-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85504;MM85504;CC(=CC(C)N)C(C)N;YGTXAKNPBKZPGI-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85505;MM85505;CN(C=N)C(C)(C)C=O;VCZHXFGAHJKFBG-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85506;MM85506;CNCCC(C)(F)CN;WIVFFLJGYMIXOL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85507;MM85507;C=CC(C)(F)CCNC;HGOYCMBJAVYJGR-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85508;MM85508;CC(CF)(CF)CCN;XJDIBIHBHYMXIW-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85509;MM85509;CC=NOC(=O)N(O)C=O;MKFBYUATPJEISA-UHFFFAOYSA-N;146.1;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85510;MM85510;C=C(C)C(C)(CC)NC;UWZZQPAJULPAFM-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85511;MM85511;CCC(N)C=CC(C)N;HOOPISRNCLXFOQ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85512;MM85512;C#CC(O)C(=O)CC=CF;GXXYUSKTKCXLKI-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85513;MM85513;C#CC(O)C(=C)CC=NO;CDRRURJLMTYRKD-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85514;MM85514;C#CC=NNC(=N)C(C)F;NFCKXBVAMNLXRS-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85515;MM85515;CCON(C)C(=N)C(C)=O;PZRNKKPPQDVVGW-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85516;MM85516;C=NNC(C#N)CF;GHDIRZIEEQGHMF-UHFFFAOYSA-N;115.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85517;MM85517;C#CC(C)NC(=N)C=CN;IEYQNEQHVNOLSZ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85518;MM85518;CC=CN(O)C(=N)C=O;QFNZBBFTZUOOBC-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85519;MM85519;CNN=COC(C)C(C)O;IFGOYGLJHGSKRS-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85520;MM85520;COCC=NOCC(C)O;ICZQIUHKEFUIJT-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85521;MM85521;C#CC(C)C(=O)NC=NN;AFKGWFQUFHCECH-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85522;MM85522;C#CC(O)C(=O)NC=NO;ZELZJTSZBZIKEP-UHFFFAOYSA-N;142.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85523;MM85523;CCNN=COCC(C)O;ORXSSWKDMJONHX-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85524;MM85524;CC(CCCN)=NNC=N;YABMDVDIWXQVHK-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85525;MM85525;C#CC(O)C(=O)NN=CC;HJOJEEKTBQYCPW-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15445;MM15445;C#CC(C)C(=C)OC=NO;VLMJKCXTEMAFLS-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85526;MM85526;C#CC(O)C(=C)OC=NO;ASKBYELWWMLHQR-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85527;MM85527;C=CC(CN)CC(F)F;DVGXMXHIWVLNML-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85528;MM85528;C#CC(O)C(=O)ON=CC;IHEWBOQPFITIHF-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85529;MM85529;C=C(CO)C(=O)CC=NO;HPSQQJAUQBIIGW-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85530;MM85530;C=CC(C#N)=CNC=N;QQDDTQQCVLTOFO-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85531;MM85531;C=C(OC)C(=O)CC=NO;HRJFDZKMGHUXKB-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85532;MM85532;CCNCC(C)C=NN;SBVWDOQMRDAOLZ-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85533;MM85533;CC=NN=CN(C)C(=N)N;DJJHXPQSXLSPFO-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85534;MM85534;CC(N)C(F)C(C)CN;ITNNUXWHNFEXSL-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85535;MM85535;C=NNCC(=O)C#N;TYZNGEUZMDBOIX-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85536;MM85536;CNC(=N)NC(=O)NC;KGCIDHJBLPVUNN-UHFFFAOYSA-N;130.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85537;MM85537;CC=CN=C(N)C(=O)NO;YAPUXYOFXWWQCT-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85538;MM85538;CC(=CF)N(C=N)C(N)=O;KRIOKDMYXFXMPR-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85539;MM85539;CC(CN)CC#CCO;APYIQPHYBFWOGH-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85540;MM85540;CCC(CO)NN=COC;CZVZSCGPSZALGE-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85541;MM85541;CCCNN=COCCO;DPEFBDORFFWKAI-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85542;MM85542;NCCCCC#CCO;RXOJDKMZWKKHER-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85543;MM85543;C#CC(F)(CO)CCCN;QJKQLZFNSCUBKD-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85544;MM85544;CC=CNC(=O)C(=O)OC;ZIEKUIWIZQOGAP-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85545;MM85545;CC(F)=C(C)C(C)CN;LHYUJEBGMMQHMZ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85546;MM85546;O=CCC=NOCC=O;HARRHVKJHVPSSC-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85547;MM85547;C=COCON=CCC=O;DIWURLWHIGXABF-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85548;MM85548;CC(=C(F)F)C(C)CN;SRUMKJCMJRBURB-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85549;MM85549;COCON=CC(C)C=O;BWOLOWMSTUVDLL-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85550;MM85550;CC=NN=C(N)C(=O)CO;GXBZNPXEEZHMHL-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85551;MM85551;C=C(CO)C(=O)NN=CC;AXOOROHTYOOYQA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85552;MM85552;CC(C=O)CC(N)=CC#N;SNUNMZWEHGCEFU-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85553;MM85553;C#CC(=NN)N(C)N=CC;QZVIFOZSZKBKSC-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85554;MM85554;CC=NN=C(N)C(=O)NN;CZQUIAZPJBQVEU-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85555;MM85555;CCN=CN=C(C=O)NC;WNZOZKQOGRCTBC-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85556;MM85556;CC=NNC(=O)C(=O)NC;PJIHVBIJSLCEAX-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85557;MM85557;CCC(O)C(F)CCCN;UAXMOXQVMMVKCR-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85558;MM85558;NCCCC=C(F)CO;NTFCNAJICHTHIH-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85559;MM85559;CNCCC(F)C(C)N;MYYMKBPZLATYJH-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85560;MM85560;CNC(=O)C(=O)OC=CF;IFGPDYJBZMOXOU-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85561;MM85561;CC=COC(=O)C(=O)NN;DFMBDEBJZDAFFK-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85562;MM85562;C=C(OC=NO)C(=O)NC;HAHYLZKWDDJOIY-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85563;MM85563;CC(N)C(F)=CCCN;ZIRQUKNEHRZJDG-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85564;MM85564;COCC=NNC=CC=O;XWKSSLYOFROUHX-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85565;MM85565;COC(=O)C(C)CCN;RLQGFMIEMSPTCP-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85566;MM85566;CC=NOC(=O)C(=O)NC;JKQALHCDYKCRDM-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85567;MM85567;CNC(C)C(C)C=NN;ZXWNWGPHSFXCCW-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85568;MM85568;C=C(CC=NO)C(=O)C#N;FUPGQNIFAVFCFX-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85569;MM85569;C=CC(=O)C(=O)CC=NO;SKOKPIIUWFCHDD-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85570;MM85570;O=CC(=O)C(=O)CC=NO;ARKMFDBKWZUEIZ-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85571;MM85571;COC=NNC(C)COC;PVYAGYNFYYRVMS-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85572;MM85572;CNN=C(C)OC;UAZLUNCYTIRCKU-UHFFFAOYSA-N;102.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85573;MM85573;CC(O)C(C)(F)CCCN;KCVRMIOVDBPVIC-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85574;MM85574;CC=CNC(=O)C(=O)C#N;BQSLPIFCYYVHEU-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85575;MM85575;C=C(NC=NO)C(=O)C#N;WXLJGWNOFDTUHK-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85576;MM85576;CNN=C(C=CCF)OC;NPIIJURGYPZYRY-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85577;MM85577;CC(C)(O)C(F)CCCN;WPWYDESPMZKAMD-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85578;MM85578;N#CC(=O)C(N)=NC=NO;YFRIGQRLECJSBJ-UHFFFAOYSA-N;140.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85579;MM85579;N#CC(=O)C(=O)NC=NO;GUEUATIYGSCIDE-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85580;MM85580;CC=NN=C(N)C(=O)C#N;PTFJHEWWWXECGB-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01785;MM01785;CC=NNC(=O)C(=O)C#N;ZAJPYVDKCJHTTQ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85581;MM85581;C=C(C=O)C(=C)OC=NO;VSZBYBDIWHXBIQ-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85582;MM85582;C=C(OC=NO)C(=O)C#N;VRTSESCCTMKJGV-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85583;MM85583;NCC(C=CF)CCF;LMGQUGSNVBMBII-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85584;MM85584;C#CC(=NOC)NN=C;KHMGIDKBINKPCD-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85585;MM85585;C#CC(=O)C(=O)NC=CC;DPSMZBWOAYMBJS-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85586;MM85586;C#CC(=O)C(=O)NC=CF;HPXFIXDPBROULF-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85587;MM85587;CCC(F)(CO)CCCN;UNBHHTDXKIWIGW-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85588;MM85588;C#CC(=O)C(=C)NC=NO;YZFIAHDEZMFYMC-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85589;MM85589;CCC(C)C(CN)CN;DRKZCKNGMOEPES-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85590;MM85590;CC(F)(CO)CCCN;CABRCFDLSBVSLY-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85591;MM85591;C=COC(C=CN)=NN;FUSVVEZDNUPRGL-UHFFFAOYSA-N;127.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85592;MM85592;C#CC(=C)C(=O)NC=NN;FNEQXFSNSHSMPX-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85593;MM85593;C#CC(=C)C(=O)NC=NO;VMEFMFDPCHEYIP-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85594;MM85594;CC(=O)NC=CCCCN;IMZKORKUXUPOIK-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85595;MM85595;C#CC(=O)C(=O)OC=NO;FRKPGPNHOFMEGB-UHFFFAOYSA-N;141.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85596;MM85596;COC=NN=CC=NN;WXOWNQAKZDUAGW-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85597;MM85597;C#CC(O)C(O)CC#CC;PXFKJTMRWRYOFQ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85598;MM85598;CC#CCC(O)C(=O)CO;DGVNHPZLVWTHNC-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85599;MM85599;C=NNC(C=O)=CC#N;BHQUPRSHJLMKRC-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85600;MM85600;CC#CCC(O)C(=O)NC;ZUHBBOMMDHSKPN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85601;MM85601;C#CC(C=C)C(C)CN;ABAZIWNUHQFTFR-UHFFFAOYSA-N;123.2;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85602;MM85602;NCC(CN)CCCF;GVUNYCIEXWSGRE-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85603;MM85603;CC#CCN(C)C(=O)CO;FMLCENNILMAHJK-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85604;MM85604;CC(=CCCCN)NC=O;YVLFSKWDPYILGR-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85605;MM85605;C=CCCC(CN)CN;BWBBHXLQMTZZRZ-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85606;MM85606;CC(CCN)CC(O)CO;XIZZHCDLKHNQGN-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85607;MM85607;C#CC=CN(C)C(=N)CO;HXZNFEBSDQPJSC-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85608;MM85608;C=C(C#N)C=NNC;AUONUMLXPQCTLC-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85609;MM85609;COC(=CCCCN)CO;VLHPPXOWOPHMKU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85610;MM85610;CC#CCN(N)C(=O)NO;MBWLKJLIYMMWDK-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85611;MM85611;C#CC(C=C)=NNCC#N;DILMFLMBEYLVDQ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85612;MM85612;CC#CCN(O)C(=O)NN;ZFNUVUVOEKHSKY-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85613;MM85613;CC#CCN(O)C(=O)NO;GALYZJRZBCCFEB-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85614;MM85614;C#CCCC(CN)CN;RTMWHARVSSRYAE-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85615;MM85615;CC#CCC(=O)C(O)CO;IYWWJGWKYJDMGV-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85616;MM85616;C=CC(CN)CCCF;YPYRUQXNVDVBPI-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85617;MM85617;CC=C(C=O)CCNC;HVYAKHCMCFPHGW-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85618;MM85618;CNCCCNCCF;MFVBADJOGAMYNP-UHFFFAOYSA-N;134.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85619;MM85619;CCCNCCC=NN;MWNIRCIWTIGXKQ-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85620;MM85620;CNCC(C)(N)C=C(C)C;VJAAYOTWJBNSLL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85621;MM85621;CCN=C(N=CNN)NO;GJTDLIHVZSANQG-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85622;MM85622;CC(C)(F)CC(CN)CN;QLYYRZWVHJXJCM-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85623;MM85623;C=NNC(=O)C=C(N)N;YKOUMWKCIRMIJZ-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85624;MM85624;CN=C(CN)NC(C)(C)C;SFCJZMHITRYYIU-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85625;MM85625;CCC(C)(CN)C(C)(C)N;UKUXECAQCUBPTI-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85626;MM85626;C#CC(C)(CN)C(C)(C)N;RTGJGBRSUZOJBH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85627;MM85627;COC(CO)CCCN;GTOFXZACBUKAFY-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85628;MM85628;CCNN(C)C(=N)NO;MIVJIVCENKNEPC-UHFFFAOYSA-N;132.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85629;MM85629;CC(O)C(=CF)CCCN;NNOGPZQCPDCFJK-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85630;MM85630;C=CN(C=C)C(=NC)NO;GUMZHLFXIKTHKN-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85631;MM85631;C=CC(=NOC)C(O)C=O;BRAKZZXVWJVRAX-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85632;MM85632;CC(C)(N)C(F)=CCCN;PMVDDIZTSIDELU-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85633;MM85633;CCCC(C)(O)C(=O)NN;UUFDNXVIAIDCRG-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85634;MM85634;CNCC(C)(N)C(C)=CF;DMNIPMPMAIOMSJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85635;MM85635;C=COCC(O)C(C)=NO;CJLAAJBQXHRJBW-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85636;MM85636;CNCCC(C)(F)C=CF;IPPOGZLHYSJIQW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85637;MM85637;CNCC(C)(N)C=CCF;XVTRNLXSCAFIAP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85638;MM85638;CC(=NO)C(C)OCC=O;MFWWLARWIQKKJO-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85639;MM85639;CC(F)=C(CO)CCCN;NIYFUOVVKTZIGH-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85640;MM85640;CCC(F)=CCNNC=O;MSBFUVACOPDPDJ-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85641;MM85641;C=CCON(C)C(C)=NO;CKIVYOOQDLGDIV-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85642;MM85642;CC(=NO)N(C)OCC#N;BVJRAODQUONIQY-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85643;MM85643;C=C(C)C(C)(N)C(C)CN;VZOAGGRTUDAKCI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85644;MM85644;C=C(C)C(C)(F)CCNC;ZRCGGVPHJZXBTI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85645;MM85645;CC(O)C=NNCC#N;UDTMDSQMRMWWIZ-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85646;MM85646;COCCC(=O)C(C)=CN;FEOLOLNILMAVPQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85647;MM85647;C=CC(C)(C)CNCCN;HSIWAZPBNYVTIC-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85648;MM85648;CC(CO)OC=NN;QCUFFUVSOAMFOY-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85649;MM85649;COCCC(=O)C(C)=NO;FEAOOQOANJYNKS-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85650;MM85650;C#CC(C)(CNC)C(C)N;CRAIRKUVEQSAOJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85651;MM85651;O=CCNN=CCF;FJEHWIFZRKSHCA-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85652;MM85652;CC(C)C(N)CC(N)CF;BSDSUVWSWXPKCS-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85653;MM85653;NCCCC(=CF)CO;CNLQTJWHVKDZDX-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85654;MM85654;CC=C(F)C(=O)NCCO;HBSOHLGJGUJICX-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85655;MM85655;CC(C#N)NN=C(N)C=O;WLJFMJVWXDOUMD-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85656;MM85656;C=C(OCOC)C(C)=NO;RMBPCSFNZRLPMD-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85657;MM85657;CC(=CN)C(=O)CCC=O;YEOYPCXNKSBJGU-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85658;MM85658;C=C(CCC=O)C(C)=NO;RFIVEVMQPDPFBA-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85659;MM85659;CC(CO)(CF)CCCN;GFPZCGNJUFYQNU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85660;MM85660;C=C(CO)C(F)CCCN;WBGMHLCDAGAZDU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85661;MM85661;C=COCC(=O)C(C)=CN;RYDNIUMFPVUBKA-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85662;MM85662;NCCCC=COCCO;IACKMHVFWLVGPJ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85663;MM85663;C#CC(=O)CON=CC;LCHQYUNCLJEWLG-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85664;MM85664;NCCCCC#CC(N)=O;TWIPIDLAMJWPCV-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85665;MM85665;N#CCNC(=O)C(F)=CN;JACXDAVJFXXYNJ-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85666;MM85666;CC=C(C)C(=O)NNC=O;JWQUKHUXYZQTAJ-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01889;MM01889;CC=C(F)C(=O)NN=CN;RKRFQCBUWGZAMH-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85667;MM85667;CC(=CN)C(=O)OCC#N;QZRXHEMJKSSHAX-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85668;MM85668;C=C(OCC#N)C(C)=NO;SZEVSJDXEHXOAM-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85669;MM85669;CC(=NO)C(=O)OCC#N;AQRLYWSMGBNGFC-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85670;MM85670;CC(=NO)C(=O)ON=CN;CBUZJLOTKGRTRQ-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85671;MM85671;C#CC(=O)COCON=C;NCKBXRKZGXGKFR-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85672;MM85672;C=CC(C)C(CO)CNC;KWZLIPWLNHPIJI-UHFFFAOYSA-N;143.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85673;MM85673;CC(C)NCC(N)C=CF;QOMIQOOXPFFOIC-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85674;MM85674;CC(C)C(N)C(C)CO;QVTHCDQFWZCCFK-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85675;MM85675;CC(=C(C)C(C)N)C(C)N;XFKCWJFCZGFDIQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85676;MM85676;CC(=NO)N(O)CC=CF;WRUXGMNRZHLMMT-UHFFFAOYSA-N;148.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85677;MM85677;CC(=NO)N(C)CC=NO;AIGPWUQPBFODDC-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85678;MM85678;NCCCC(F)C=CCO;XDMOWMVEDCWTEF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85679;MM85679;CCNN=C(CC)OC;DVPODWRAHVSGKG-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85680;MM85680;CC(=NO)N(C)OC=NN;OASZYIWJLPZIGX-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85681;MM85681;CC(=CN)C(=O)CC=CF;WKWSGUKHFYHMRM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85682;MM85682;CC(=CN)C(=O)CC=NO;BDHKTYWOSVRYCV-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85683;MM85683;CC(=NO)C(=O)CC=NO;KBNNGMVMVIFQKK-UHFFFAOYSA-N;144.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85684;MM85684;CC(=CN)C(=O)NC=CF;JDKZCACIDFJQIE-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85685;MM85685;CC=C(C)C(=O)NC=NN;KGLQLGZLKQLGLL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85686;MM85686;CC=C(C)C(=O)NC=NO;XCXLPBURXFDQGZ-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85687;MM85687;NC=C(F)C(=O)NC=NN;BNPCVWFAQLCFBA-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85688;MM85688;NN=CNC(=O)C(F)=CF;VMIDNWNLZANORA-UHFFFAOYSA-N;149.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85689;MM85689;CC(CCN)COC(N)=O;SWAWAFLLKGQQAL-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85690;MM85690;NCCCC(F)CCO;SUTJTBVVPBWAJQ-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85691;MM85691;C=C(COC=NN)OC;KANUIEVAOLMANV-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85692;MM85692;CC(C#N)NC(=N)C#N;JLSNSRAYCNHOPS-UHFFFAOYSA-N;122.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85693;MM85693;CC=NNC(=N)C(C)=NO;JWQDZTKBANKLKG-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85694;MM85694;CC=NNC(=O)C(C)=NN;GZHVIUCZRJHFID-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85695;MM85695;COC(CCO)CCCN;RPDIWKWPVQJNRH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85696;MM85696;C=CC(F)CC(N)CNC;BDMYASNMHYQJMQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85697;MM85697;NCCCCOCCCO;FRKOXJOMASBBBF-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85698;MM85698;C=CCC(N)CC(N)C=C;PAHPOFXGKJPDJI-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85699;MM85699;C=CC(O)CC(=O)NN=C;BZPAAARYJCXWDE-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85700;MM85700;CC(CF)CC(=N)NC=N;LYFYHSCVZRNBBK-UHFFFAOYSA-N;145.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85701;MM85701;CNC(C)CC(F)=CCN;QLYSHEVKBSZSRW-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85702;MM85702;C#CC(=CCCCN)CO;BBXLYLVWHQCSCK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85703;MM85703;C#CC(N)C=C(C)CCN;IVQCKAPOTMVKFW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85704;MM85704;C=CC(=C)C(N)CC(C)N;HEXVBFBXWWNGEY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85705;MM85705;CC(CF)C(O)C=CCO;NRYXVSQBLZIXPQ-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85706;MM85706;C#CC(=CCO)CCCN;MGYBSONIBPNORD-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85707;MM85707;C=CC=NNC=O;MFBDYGYVBQAREG-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85708;MM85708;CC(=CF)C(N)CC(C)N;MNUSOBYFGUDKDA-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85709;MM85709;COC=CC(O)C(C)CO;DUSHFBBKMTUYKN-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85710;MM85710;CC(C)CC(C=CF)CN;QNMOBVHFAYTEQN-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85711;MM85711;NCCCC=CCO;VGCCWFWWDWZAFB-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85712;MM85712;CC(O)(C#CC=NN)CF;SCTLMMSKBXMKJX-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85713;MM85713;CN(C)CC#CCCCN;MQAFQDKKCIZTBU-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85714;MM85714;C#CCNCC(=C)CCN;FRBCLMYLGXHHML-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85715;MM85715;CC(=CCO)CCCN;BYMYHBUZOAXBDC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85716;MM85716;C=C(CO)CCCN;KMQXLXQASPBPRH-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85717;MM85717;C=C(CNC)NC=NCC;FOKHFCWTQSTZHX-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85718;MM85718;C=NOC(=O)C(C)CCN;OMEUWTGREJGHMR-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85719;MM85719;CC=CC(C)(O)C(=O)NN;KPANBLAQIBWEFX-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85720;MM85720;C#CC=C(CO)CCCN;LKNYZNATJXONBQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85721;MM85721;CC(CCN)CCNC=O;LLNZWDRMCNAJKN-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85722;MM85722;C=C(CCN)C(N)C#CC;GYFMVYRHDQSVLX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85723;MM85723;CC(C=CC#N)C(O)CO;RGMKKZWKQMULGP-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85724;MM85724;CC=C(CF)C(=N)N(C)N;WTGCJSAFSPTACS-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85725;MM85725;CCC(F)(CN)CCNC;AWKDGSQQDZKZPE-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85726;MM85726;CNCCC(C)(CF)NC;NIWMSLUFJSYAHN-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85727;MM85727;CC(CO)C(O)C=CC=O;USUDFTIBAUAOJB-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85728;MM85728;CC(CO)C(O)C=CC#N;UPENFHTYWXZEEP-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85729;MM85729;N#CC=CC(F)C(O)CF;OZLLBISBJJALOB-UHFFFAOYSA-N;147.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85730;MM85730;C=CC#CC(C)NNC=O;AFLRZSMPRXJGMH-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85731;MM85731;CC(CF)CC(CN)CN;MLQPFHKDQNEMIB-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85732;MM85732;CN(C=NC(N)=O)CC#N;IGNHHPBNVVPBQJ-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85733;MM85733;C=NN=CC(O)C(C)CO;ODRMEOHXXRHIMM-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85734;MM85734;C=CC(CC(C)N)C(N)=O;MUWLFTCHHJTJAD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85735;MM85735;CCC(F)CC(CN)CN;NHQBLYQEMFUASI-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85736;MM85736;C=CC(C)CC(CN)CN;MFHZBSGQNATPIA-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85737;MM85737;CC(CO)N(C)N=CC#N;SYAINVPPXNCSOU-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85738;MM85738;CCC(CC(C)=NN)NC;WXADNYOOSYFTIF-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85739;MM85739;CNN=C(C)C(O)C=CF;LQMZHJQGDWEGMR-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85740;MM85740;C=NOC(C)(C#N)C(N)=O;HPXDYUPLYKKVNO-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85741;MM85741;C=C(CCCN)CCCO;KDJCUIVHGZJGCJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85742;MM85742;CC(=CCCCN)C(N)=O;NIXVAPHNPNMUIX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85743;MM85743;C#CCN(O)C(C#C)=NN;SSTAESLICIUATA-UHFFFAOYSA-N;137.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85744;MM85744;CCC(C=C(F)CN)CN;MGGLMDBESUVWLA-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85745;MM85745;CC(N)CC(C)(C)C(N)=O;PXVMRXMJSNNIIC-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85746;MM85746;C=CCC(N)CCC(N)=O;BNALXJIPINMHBO-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85747;MM85747;CCC(CO)ON=CCO;WNNMHEPGRVKQKN-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85748;MM85748;CC(C=CCO)C(O)C=O;XSLXSVJNZIXIKI-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85749;MM85749;C#CC(C=O)=CC(N)=NC;UXWZSOWAYLLEMS-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85750;MM85750;C=CC(O)C(O)C=CCF;QVKVEKKEMFQTPQ-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85751;MM85751;CC(C=O)C(F)C=CCO;BQSQTVSSNFDBHH-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85752;MM85752;CNN=CN=C(NC)NN;DTCIKCWMOLVTKX-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85753;MM85753;CC(F)=CC(CO)=NN;UMEACWITXLMJSX-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85754;MM85754;COC=CC(O)C(C)C#N;JQTPFMGNLNALPX-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85755;MM85755;CNCC(CF)CCC=O;ZQSPTVANKBVCCR-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85756;MM85756;CNN=CC(O)C(O)C#N;MTSXWKDITVKWNA-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85757;MM85757;CNN=CC(O)C(F)C#N;SYXVBDLRQIQBAH-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85758;MM85758;CN(C)C(=N)NN=CCF;IIFNGQKHQJMFRV-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85759;MM85759;CNN=CC(F)C(O)C#N;BOOQTELLUUVTTD-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85760;MM85760;CC(C=CCO)N(C)C=O;IIZQWTZSDOLADN-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85761;MM85761;CC(F)CCC(CN)CN;UZXDBFIHEFTJBG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85762;MM85762;C=C(C)CCC(CN)CN;CPIGHFJEJMPEDL-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85763;MM85763;C#CC(C)C(N)C(C)CN;QMZXYWVTPKKILB-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85764;MM85764;CNN=CC(C)N(O)C=O;PSWVZEICDPBTNQ-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85765;MM85765;C#CC(C)(CO)CCCN;TVVMTKOBKBGMAU-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85766;MM85766;CNC(C)C(C)C(C)=NN;YMENOHSLDNBWEU-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85767;MM85767;CC(O)C=NN(C)CC#N;ZTVDIOQNGRPZTD-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85768;MM85768;CC(=NOC(=O)C#N)NO;NWSWINGYQFDMLA-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85769;MM85769;CON=CCOC=CCO;OCEIOUXEJMFWJC-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85770;MM85770;C=CC(CO)CCCN;GEKNUCGSEURASG-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85771;MM85771;C#CC(CCCN)C(C)O;BMWZPIJIEGKREY-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85772;MM85772;CNC(=N)NN=CCCN;MTWRNVAJEABQJF-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85773;MM85773;C=CC(CCCN)C(C)O;YSXKQACFDJWFBR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85774;MM85774;CC(=C(F)CN)C(C)CN;KHEUQBYAAVLWMN-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85775;MM85775;CNN=COCCCCN;SSEFGWRLGQFWGJ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85776;MM85776;CNCCC(C)NCCF;GDJDFWKHOOTGDM-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85777;MM85777;N#CC(O)C(O)C=CC=O;ADBOQVKEUMERDN-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85778;MM85778;N#CC=CC(O)C(O)C=O;WZOINOFWTXRWJN-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85779;MM85779;N#CC=CC(O)C(F)C=O;JPZPOEKJZSSBSI-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85780;MM85780;N#CC(O)C(F)C=CC=O;AUSOFIMVNHTHKL-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85781;MM85781;N#CC=CC(F)C(O)C#N;PTHSFVQMPBSASK-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85782;MM85782;CCNCC(F)C(C)CN;FEFJVBANRIXKTC-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85783;MM85783;CN(C=N)C=COC=NN;BJMCCQFNDZVVLM-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85784;MM85784;CC(C=CC#N)N(O)C=O;PTNGSHALRAFQAI-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85785;MM85785;C=NN=CC(C)N(O)C=O;ZNHNORZBXONKQK-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85786;MM85786;C=C(CCNC)C(=O)CC;RMERXLYGXYTYGA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85787;MM85787;N#CC(C=CCO)=CN;BVFGCXJWGKEFNG-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85788;MM85788;CC(C#N)N(O)C=NC=O;AXEDVJAAJWHBEV-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85789;MM85789;C=NN=CN(O)C(C)C=O;BOFRASMXAQYLMB-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85790;MM85790;C=NN=CN(O)C(C)C#N;UUUCSCRBMYLJSJ-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85791;MM85791;C=C(CCNC)C(=O)C#N;QXVMMNMFTMAFMI-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85792;MM85792;CCNCC(C)C(C)=NN;DHGSHJBMTRVVBB-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85793;MM85793;CNN=CC(C)C(C)NC;NYDDNIUZMKRXNG-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85794;MM85794;C=CC(=C)CCNCCN;PZTBDFKJLMLODS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85795;MM85795;C=NOC=NNCC=O;RMMHZJRRUVVPGX-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85796;MM85796;C#CC=CC(O)C(O)C#N;HGCZRCWFJVLYRB-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85797;MM85797;C=NOC(=O)C=CNC=N;PIBPZJBWVJBUDS-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85798;MM85798;CCCNCCC(C)=NN;JHCXCCFUWIOBHB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85799;MM85799;C#CCC(C)NN=COC;CAXHCOCJDPKCID-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85800;MM85800;C#CC(O)C(C)C=CCO;PGEXPOYBEGFMTJ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85801;MM85801;COC(=O)C#CCCCN;PRBCJVNAMJLXLI-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85802;MM85802;C#CCC(C)OC=NNC;ZJMMLCWJDZLHAJ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85803;MM85803;CCC(=NNC)OC;HJPUMHQJLHTPFZ-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85804;MM85804;CC(=N)NN(C)C(=N)C#N;LGNPNSGCTDTFRF-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85805;MM85805;C#CC(O)C(O)C=NOC;QXOLTPLWFFPIRO-UHFFFAOYSA-N;143.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85806;MM85806;N=C(N)NC(=N)OC(=N)N;LKHSYPHSQMRPHG-UHFFFAOYSA-N;144.14;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85807;MM85807;NCCC=CC=C(F)CN;GEWLHMIGWCIYTF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85808;MM85808;C#CC(CNC)C(C)C=C;TYTMCVWLKHMMQU-UHFFFAOYSA-N;137.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85809;MM85809;C=NNC(C#N)(C#N)CC;ABDBNTVSPKNYTF-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85810;MM85810;CCC(CCN)C(=O)OC;GEDCCIYZFIELQY-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85811;MM85811;C#CC(C)(C=NO)CCN;WTTGYHWDFLPKIO-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85812;MM85812;C#CC(O)C(O)C=CC#N;NDLKMJLKCGQYFQ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85813;MM85813;C#CC(F)C(O)C=CC#N;NRWRGDPXLPOZDE-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85814;MM85814;C#CC(CNC)C(=C)CN;RAXFGYOEWZRNAQ-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85815;MM85815;C=COC(CC(C)N)=NO;FNQKPDXUQHOVCV-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85816;MM85816;CCNCC(C=NO)CF;DULVFIBDHPHDTJ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85817;MM85817;C#CC(O)C(O)C=NN=C;PWQMVMJVZRXMTF-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15380;MM15380;C#CC(O)C(F)C=NN=C;VXLMISNCEGPTJM-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85818;MM85818;CC=C(CCN)C(N)CF;GFRRPZJKKHBRMT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85819;MM85819;CC=C(CCN)C(F)CN;JORLKWGZJONDNO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85820;MM85820;C#CC(C)N(O)C=NC=O;MEBHEEVRWFEZSV-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85821;MM85821;NCC(C=CF)CCCF;FERSYVGFCQUVDS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85822;MM85822;CC=CC(CN)NC=NC;IULJYAQGRQDBAO-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85823;MM85823;C#CC=NNC(=N)OC=O;IOPCXKBNAWHPLH-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85824;MM85824;C=CC(C#CCN)CCN;JNPMICFDJLKTID-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85825;MM85825;CC=NOC=NN;RRLICNFUNKZGRW-UHFFFAOYSA-N;101.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85826;MM85826;CCC=CC(O)C(=O)CO;TUWQEFWYFGRUIV-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85827;MM85827;CC(C=CCF)C(=O)NO;GTQBTAXXHGMIRM-UHFFFAOYSA-N;147.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85828;MM85828;COC(C=NN)OC=NN;XSMVSSYTERTBDR-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85829;MM85829;CNC(=N)NC(N)=O;JHZLFAAUEHTQBY-UHFFFAOYSA-N;116.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85830;MM85830;C=NNC(=O)CCC(C)N;SENITTJLXGBIMU-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85831;MM85831;CC(O)(CF)CCCCN;SBFYGCVLKJBMPV-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85832;MM85832;C#CC=NNC(=N)CF;CXFKBZGRLQZFFN-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85833;MM85833;CC=NNC(C=O)=CC#N;FHECVQVMRQKVHA-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85834;MM85834;CNN=CC(C)C(=O)NO;CSWDVZYJOVLOMZ-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85835;MM85835;C=CC(O)C(NC)C(C)C;WHYOFCOXNKBUBF-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85836;MM85836;COCC(O)CCCCN;JMQJFPRKLZSHKG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85837;MM85837;C=NNC(C)C#CC#N;NEVQWZXBRQHFSS-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85838;MM85838;CC=CCN(O)C(=N)N;AGPGUURGINPEQF-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85839;MM85839;C=CC(N)C(C=C)C(C)N;SGGGTGHRYNBEGD-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85840;MM85840;C=NN(C)C(=NC)N(C)C;VVQIWOXUEAMOKA-UHFFFAOYSA-N;142.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85841;MM85841;CNCCC(C=O)=C(C)C;ZFTWSSYJYPDTMI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85842;MM85842;CC(C)C(C)(N)C(C)O;BZEGSBCSGGVWES-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85843;MM85843;C=NNC(=O)CC(=C)CO;FOCCIXQILVTWPA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85844;MM85844;CCC=CN(O)C(=O)CO;QJCIVBXRVNPAAS-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85845;MM85845;NCC(CN)CCCCF;QTMBNDOQVODDPD-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85846;MM85846;COC=CN(C)C(=O)CO;ZAXBQSKSJPLMOL-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85847;MM85847;COC=CN(C)C(=O)CF;KRSURPNAZMXTPR-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85848;MM85848;CC=CNC(=NC)N(C)O;DOUDVHBEFTXLSP-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85849;MM85849;CNC(=O)N(C)C=CCF;UAVBVDHWKVHGCG-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85850;MM85850;C=CC(CN)CCNN=C;MRYBSLRWXFIVQJ-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85851;MM85851;CCC(N)(CO)C(C)C;WDBULKXQTMBKID-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85852;MM85852;C=CC=NNC(=O)C=CN;XSOPDCOEDIDXLS-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85853;MM85853;CN(C=NC=N)N=CC#N;MMQPTNJFIPSYMS-UHFFFAOYSA-N;137.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85854;MM85854;CCC=CN(N)C(=O)NO;UVLCWGUOCHNFNG-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85855;MM85855;N=C(NN)NC(=N)NO;SHEOCTCNUJWPHE-UHFFFAOYSA-N;132.13;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85856;MM85856;N#CC(=O)CNC=N;NYMQMJQCRQUWOR-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85857;MM85857;CCC=CN(O)C(=O)NC;KDOMXHFKAHTCIU-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85858;MM85858;CCC=CN(O)C(=O)NN;MGUPDIWCHNIJMZ-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85859;MM85859;CCC=CN(O)C(=O)NO;BDDXBGLWZOPGGY-UHFFFAOYSA-N;146.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85860;MM85860;CCN=CNC(C)CO;OISCKYMUNLBMPU-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85861;MM85861;CNCC(C(C)C)C(C)O;OABDGDHVWQTXJX-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85862;MM85862;C=CC(CN)CCOC=O;VLPUPVZYDLXDOC-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85863;MM85863;C=CC(CN)CCON=C;VHZOWCAKSUZKAT-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85864;MM85864;CCC=CN(O)C(=O)OC;UFOBMASXRXMEAJ-UHFFFAOYSA-N;145.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85865;MM85865;COC=CN(C)C(=O)OC;ULJXCKOOXOTLKM-UHFFFAOYSA-N;145.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85866;MM85866;C=CC(CN)CC#CCN;QZAABJUCNVGVCZ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85867;MM85867;CNC(C=CCCN)CF;SJSFPBDVRRQHOH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85868;MM85868;C=NOCC(F)(F)CO;XAOQIJGKWJHOQU-UHFFFAOYSA-N;139.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85869;MM85869;CON=C(NO)C(O)CO;LEJYAZSOQNWBFN-UHFFFAOYSA-N;150.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85870;MM85870;NCCCC(CO)CF;SMJPOLDRJFRFAL-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85871;MM85871;COCC(CO)CCCN;WIPVQMBALXNQEP-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85872;MM85872;NCCCC(CO)CCF;HPLKTNPXSCHPMF-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85873;MM85873;O=CC(O)C=O;NVXLIZQNSVLKPO-UHFFFAOYSA-N;88.06;-1.25;;;;;DOPC;MDCG;27;"0, -1";"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85874;MM85874;C=CCC(C)C(CN)CN;DSBNQVHOSVFQJG-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85875;MM85875;C#CC(O)CN(C=N)C=O;XAOLYVNABAOGKP-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85876;MM85876;CNCCC(=CCO)OC;HQXKFAGYMMEEKO-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85877;MM85877;CC(CN)CN;BDXGMDGYOIWKIF-UHFFFAOYSA-N;88.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85878;MM85878;C=CN(C(=N)NC)C(N)=O;NJFPAUIBZFBBDU-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85879;MM85879;C#CCNN=CC#CCO;ZYIPQMDXMSHWSP-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85880;MM85880;CCC=CN(O)C(=N)C=O;QENQREODWGFRDG-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85881;MM85881;CNN=CN(C)C(=O)NO;QLIXGYZIXWBSGT-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85882;MM85882;N=CNC(C=CF)=CCO;MZZFETMPNPJVIE-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85883;MM85883;CC(C)N=CNCCO;OPVLYPRNZQFTII-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85884;MM85884;CC(C)C(N)CCCO;HAXFIELNJPNSBJ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85885;MM85885;CNCC(C=CCO)CF;WDKLKFMEUNEFSW-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85886;MM85886;CCNC(=N)NN=C(N)N;MCQDPMDTXMFXAV-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85887;MM85887;C=C(CO)CCCCN;YLHBEGIQHUMIDO-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85888;MM85888;C=C(C(C)O)N(N)C=O;YDXJUNWFGQVZAO-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85889;MM85889;CNN=CN(O)C(=O)NC;YLDVCLUEWJLJJD-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85890;MM85890;CON=CN(C)C(=O)NO;VFOJYBSIUQZEMX-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85891;MM85891;CC(CCCN)CNC=O;AMULFMLCEFCUBP-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85892;MM85892;CNC(=O)N(O)C=NOC;VSNZHDHOZIWRIG-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85893;MM85893;NCCCCCO;LQGKDMHENBFVRC-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85894;MM85894;NCCCCCCO;SUTWPJHCRAITLU-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85895;MM85895;CCNN=COC(C)CO;IOVFOUUPYYLYOS-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85896;MM85896;C=CC(C)CN;KNDRWHMOJREVPO-UHFFFAOYSA-N;85.15;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85897;MM85897;COC=NNC(C)(C)CO;RCLYKVGNUGWMOZ-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85898;MM85898;CC#CC(=O)C(=N)NO;UPSAYYKVWVFASG-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85899;MM85899;C=C(CCCCN)C(N)=O;HGBMIPQYJRXOJH-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85900;MM85900;C#CC=NNCC(=O)C=O;SALRIHJMAANNMT-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85901;MM85901;CCC(CC(C)N)C(N)=O;KKPAYFCDIVNHEM-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85902;MM85902;COC=NN(C)C(=O)NN;CTHASPDTXSKYHZ-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85903;MM85903;COC=NN(C)C(=O)NO;JHGAELKEBHURCP-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85904;MM85904;CC(C=CC#N)C(=O)CO;ZZQRIUZPNHASGM-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85905;MM85905;O=CC=CC(O)C(=O)CF;GWMKHGUFBLVOGT-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85906;MM85906;N#CC=CC(O)C(=O)CF;BMMQFYONUKORIQ-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85907;MM85907;CC(CCCCN)C(N)=O;CTHOPHSWTMBPAH-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85908;MM85908;NCCCCCC(N)=O;ZLHYDRXTDZFRDZ-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85909;MM85909;CC(C=CC#N)C(=O)NO;PEOMZEWVMZVVTE-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85910;MM85910;CC(CF)CCN;ZGLJRRALJZRZLD-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85911;MM85911;C=NN=CC(O)C(=C)CO;MIQZVYWSGAURPA-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85912;MM85912;CCOC=NNC(C)CO;UWIDEVWXIVEFGD-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85913;MM85913;C=NN=CC(C)C(=O)NO;RXVVPAKLHOJXAG-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85914;MM85914;CC(CCCN)CC(N)=O;HPRIVJKHWJBBBY-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85915;MM85915;CC(C)NN=COCCO;KLMPHGAWSFWMMX-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85916;MM85916;CC=NOC(C=O)CC#N;APTQOYXUTARTSI-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85917;MM85917;C=CC(CCO)C(C)CN;YTNAVARPPOULLD-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85918;MM85918;CC(CO)CCCN;JTFYMMKMDXPADE-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85919;MM85919;CN(C=CC#N)C(=O)NO;XEQYULVPODGEPG-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85920;MM85920;C=CC(C)CCN;DHOZGVQOZATZGP-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85921;MM85921;C#CCC(C#N)=C(N)OC;GDKMQLUGTBRTGF-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85922;MM85922;C=CC(O)CCCCN;HNROLZVXHUUYJU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85923;MM85923;CC(O)CCCCN;YTRVNXSHHAUIBX-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85924;MM85924;N#CC=C(N)C=CCCO;RDNFKBYGNORMOS-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85925;MM85925;C=CC=CN(N)C(=O)NO;UKRMZEYSFQPUIQ-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85926;MM85926;C=NNC=NC(C#N)=NC;OROFIQKLAUPLKJ-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85927;MM85927;C#CC(C)(C#N)NCC=O;ODQMSYBWJAVWLA-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85928;MM85928;CNN=CC(C#N)CF;PPVSONDMCTWBCB-UHFFFAOYSA-N;129.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85929;MM85929;N#CCCC=NNCC#N;HDTQKVLVMGNWAZ-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85930;MM85930;CNC(=O)N(O)C=CC#N;FOZQOEHUAWVUHR-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85931;MM85931;C=CC=CN(O)C(=O)NN;WRYYGRRSOLEKPA-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85932;MM85932;CC=CC(C)CN;AMNSVVMMZZHJLW-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85933;MM85933;CC(C=CF)CN;DWLODQBYFLUEFL-UHFFFAOYSA-N;103.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85934;MM85934;CCC=CN(N)C(=O)CO;KNXGJNPDRFONDO-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85935;MM85935;CC(C)(CF)CCN;YQWGYSPOUDBOIC-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85936;MM85936;CC(C)=CNC(=NN)NN;OZNOZPRMOHPDGU-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85937;MM85937;C=CC(C)(N)C(C)C;BYBCZOZQZNWGLH-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85938;MM85938;CCN(C)C(=NN)NC=N;YMWKDMZQCHMEGU-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85939;MM85939;C=C(CC)N(O)C=NC=O;BXWFJNXAEGDQTL-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85940;MM85940;CNC(=N)C(=NN)NN;BQWYLRQEORCJNH-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85941;MM85941;CCNC(C=O)C(=N)NC;QTHYGNSXUSWENA-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85942;MM85942;C=CC(N)CC(C)N;SJVISMOTYCRFPY-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85943;MM85943;N=CNN=CCCCCN;KGKZXFMUOZETQB-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85944;MM85944;NN=CN(O)C=NC=O;GJGKXCFDYFXZID-UHFFFAOYSA-N;130.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85945;MM85945;CN(C=NC=O)C(=O)NO;KASABKGGWALCCT-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85946;MM85946;CC(F)=CC(C)CN;GGXMPMVUCZNXSQ-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85947;MM85947;CC(C=CF)CCN;KDRZWDGXKPYVEA-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85948;MM85948;CNN=C(C=CF)C(C)O;ZYVMDMLLLIKDTI-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85949;MM85949;CC(C(=N)N)=C(C#N)C#N;BUQUEEUOXHKXBI-UHFFFAOYSA-N;134.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85950;MM85950;NCCCCOCC=NO;QUCDBRKZLOOAOX-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85951;MM85951;CN=C(NN)C(C)C=NO;OCBXCWQPRGJFMJ-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85952;MM85952;CNC(=O)N(O)C=NC=N;PQFIWRJTFQCXDE-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85953;MM85953;CNC(=O)N(O)C=NC=O;SSLYANYVUOGACG-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85954;MM85954;C=NN=CN(C)C(=O)NC;BPGDGJTTZAPWHM-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85955;MM85955;C=NN=CN(C)C(=O)NO;OATXWGINBFVZEU-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85956;MM85956;CC(F)C(C)CCN;YYMFNGXGGJTVSS-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85957;MM85957;CNC(C)CC(=NO)OC;DTIZSJGVVWJYER-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85958;MM85958;CNCCC(C)C(O)C#N;GRDAQNRGYPJWGL-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85959;MM85959;C=NN=CN(O)C(=O)NC;YBQKLIMDRXXXFW-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85960;MM85960;C=C(F)C(C)CCN;QBIPKPUJFJFBRD-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85961;MM85961;C=CC(N)(CC)CC;LRMKOBBEJXAGLH-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85962;MM85962;C=C(N=CN)C(O)C=O;JCVQLPWNHCVVGL-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85963;MM85963;C#CC(C)C(C)CN;BJDKBCGMUVRTSW-UHFFFAOYSA-N;111.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85964;MM85964;C=NN=CN(O)C(=C)OC;JFWSDSCLKKYOGE-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85965;MM85965;C#CC(C)N(C)C=N;AXEUXBSKQUOPFA-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02733;MM02733;CCC(=O)N(C)N=CC#N;ASXHOPCNFFFZBF-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85966;MM85966;CN(N=CC#N)C(=O)CF;FGCCLBPUUVTSGH-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85967;MM85967;C=CC(O)C#CC(=N)NC;CDMQMZKPNRUVQZ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85968;MM85968;C#CC(O)C(C)CCNC;JYJCRBVMUCRSGK-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85969;MM85969;CNN=C(C=C(C)F)CO;NENSSSNLANOYQL-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85970;MM85970;COC(=NC=NN)N(C)O;BYXRWCQSMFAXKJ-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85971;MM85971;CNC(=O)N(C)N=CC#N;MEYMEBUHKKAEAC-UHFFFAOYSA-N;140.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85972;MM85972;CN(N=CC#N)C(=O)NO;VJKUPYMATSELLX-UHFFFAOYSA-N;142.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85973;MM85973;C=C(CCCN)OC;QSGFWEWGQALJFM-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85974;MM85974;CNC(C)CCC(O)C=O;SWNHNVBESGSHEI-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85975;MM85975;COC(=O)CCCN;KVQGGLZHHFGHPU-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85976;MM85976;C#CC(=NOC)NO;ZDHDKVSGMYWABJ-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85977;MM85977;C=C(C#CC(C)O)NC=N;DOLQRTFYHHRNCX-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85978;MM85978;COC=CC(C)CN;BGIAYXGKEPXQQD-UHFFFAOYSA-N;115.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85979;MM85979;C=CC(=C)CN(O)C(=N)N;BVOVALSTCKIQIQ-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85980;MM85980;C#CC(=C)N(N)C(=O)NC;KJOBLGKNCHEEJR-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85981;MM85981;C=CC#CC(=N)NC;URBOFHIAGCXWQW-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85982;MM85982;CNCC(C)C(C)(N)CO;XBFRTPWETIQPJT-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85983;MM85983;C#CCC(CC)CN;SFFFBSKFJHJYIY-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85984;MM85984;CCC=C(CO)N(N)C=O;BCCQQWNRCKLNLU-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85985;MM85985;CC=C(CO)N(N)C=O;BMUXNVRLJGQFTG-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85986;MM85986;C=CC(CF)CCN;ALWXISFVIMABQZ-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85987;MM85987;C#CC(=C)N(N)C(N)=O;XMCOGDFGZBXQGF-UHFFFAOYSA-N;125.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85988;MM85988;C#CC=CN(C)C(=O)NC;ACWWFVPXHKKBGH-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85989;MM85989;C=CC(=NC)N(C)N;LNCPCZRAGZBMDS-UHFFFAOYSA-N;113.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85990;MM85990;C=CC(C)C(NC)C(C)O;SSNLUCLJABQBEU-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85991;MM85991;CC(CO)NC=CC#N;UKVWGESNENMQGY-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85992;MM85992;CC(CN)CC(=CF)CO;YPIJGVXBTILNBI-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85993;MM85993;C=C(CO)CCNCC;TZGFLWHNJQXYDK-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85994;MM85994;C#CC=CN(O)C(=O)NC;ZWVSBPCSYMYWBX-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85995;MM85995;C#CC=CN(C)C(=O)OC;RWDGUZIRYIKKSE-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85996;MM85996;CON=CCOCCO;IKSNWJOWECQGFS-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85997;MM85997;CNN=CCCCN;ZNKUANZXSQJRFJ-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85998;MM85998;C#CC(=CC)N(N)C(N)=O;ZYTYJHGEPYVRMC-UHFFFAOYSA-N;139.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM85999;MM85999;CNCCC(CF)C(C)O;HHYBEZDZDIWYIF-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86000;MM86000;CC(C)(N)C(F)CCN;VLTHNDMGKGGIJE-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86001;MM86001;CC(C)(CCN)CCF;PGNLUTYXFNHEGB-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86002;MM86002;C=CC(=O)C(O)C=COC;IZRNOGILWOURIQ-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86003;MM86003;C=C(C)C(C)(N)CNC;KSVJORZJWVRFKK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86004;MM86004;NN=CC#CC(F)CCO;BRGFOTMOEIOPAB-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86005;MM86005;CNN=CC(O)C(=O)C#N;NUWAEKTXOYYUTG-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86006;MM86006;CNN=CC(F)C(=O)C#N;RVIZFAHTOXNJQD-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86007;MM86007;COC=NNCCOC;SOOYNAFUASXDSZ-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86008;MM86008;CN(C=CCF)C(=O)C=O;RGWIJXQRDDKHRO-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86009;MM86009;C=COCCNN=COC;AODMXVZFKCCCJC-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86010;MM86010;CCC=CN(O)C(=O)C#N;DPZYONQRGHQWDL-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86011;MM86011;CC=CC(N)CC(C)N;VJDDKKMINYZMDA-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86012;MM86012;N=C(N)C=C(F)C=NN;CYPPFYNBGPMGQZ-UHFFFAOYSA-N;130.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86013;MM86013;COC=CN(C)C(=O)C#N;IHEHEDKSPBPIAY-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86014;MM86014;CNCCC(C)(N)CF;NFCVQBCWLATKEA-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86015;MM86015;C#CC(F)(F)CNC=N;GNAURKGWDAIBAA-UHFFFAOYSA-N;132.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86016;MM86016;C=CC(=N)NC(=N)CC;RHBXSMFSXHZASC-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86017;MM86017;CNCCC(C)C(C)O;QIYHLAZQIYVKKK-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86018;MM86018;CNN=CC=NN=COC;AZZSYCCXKFZSKO-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86019;MM86019;CNCCC(CO)CF;RDKNORUUQQJQBL-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86020;MM86020;CCNCC(C)CO;ZHBUZINBDSZNNV-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86021;MM86021;CNCCC(C)CO;QSFMIXLUNXROPA-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86022;MM86022;CCCNCCCO;VVBMMWYCAMYUSW-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86023;MM86023;CNC(=NC=N)NC=N;HHEGXJFNUJQYNG-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86024;MM86024;CC(=O)CCNC=CC#N;GSJMIEVMFXXYLA-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86025;MM86025;C=C(CO)CC(C)CN;QKQCECLLYPYUKL-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86026;MM86026;C=CC(=O)N(O)C=NNC;VYSGSBMIGAVCIA-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86027;MM86027;CON=CN(C)C(=O)C#N;QGTKQTULUXQWLK-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86028;MM86028;C=CC(N)CNC(C)C;FMYMQXMMEJEZHC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86029;MM86029;CC(CC(C)(C)N)NC=O;KPJKPHKMLALIFK-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86030;MM86030;CON=CN(O)C(=N)C#N;RGOKVZFZHUKQCA-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86031;MM86031;C=CC(CC(C)N)NC;AWRHLXLGXWOJRS-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86032;MM86032;C#CCC(N)CNCC;WSIXKTKZHCDLNT-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86033;MM86033;CCOC(=O)CCCN;MAFQLJCYFMKEJJ-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86034;MM86034;N#CC(=O)C(O)C=CC=O;KJOSOGTWRMDQQI-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86035;MM86035;N#CC=CC(O)C(=O)C#N;MJYFDEDPGHFWCZ-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86036;MM86036;C=NN=CC(O)C(=O)C=O;RNADGPNNVHRAOJ-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86037;MM86037;C=C(CCCN)OC=O;SZYTUWDZWRDTLF-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86038;MM86038;CC(C#CCN)CCN;PDQJADBJBKWISZ-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86039;MM86039;CN(C=CC=O)C(=O)C=O;RLUZVNCSZJSKGF-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86040;MM86040;CN(C=CC#N)C(=O)C=O;PPSGUZKPTICRPS-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86041;MM86041;CN(C=CC=O)C(=O)C#N;CMALSSWKTGOJFF-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86042;MM86042;CN(C=CC#N)C(=O)C#N;DPTAQTOFYBEIQK-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86043;MM86043;CON=C(C)CCCN;XBVHHUQUUXAGBM-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86044;MM86044;C=CC(=O)N(O)C=CC=O;SHTNVBIPIUDDOE-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86045;MM86045;C=CC(C)N(N)C(C)=N;JELIZRLAMDZZHN-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86046;MM86046;C=C(F)C(N)CCNC;DQPPNNLTLOJWEC-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86047;MM86047;CC(C)=C(F)CCCN;FPUOHPKRCIGCOB-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86048;MM86048;COCC=CC(C)CN;KUTRQYPDNOIBKA-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86049;MM86049;CC(C=COC=O)CN;HNTJTADLVYUJEX-UHFFFAOYSA-N;129.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86050;MM86050;CC(CCN)C(F)CF;GOIPPWKTZATBRW-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86051;MM86051;C=CC(=O)N(C)C=NC=O;RIPNIDVKVUVZSJ-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86052;MM86052;NCCC(CF)CCF;LXMYBRHQLWCWKE-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86053;MM86053;COCC(CF)CCN;NNFQRYPOBVGEFK-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86054;MM86054;C=CC(CCN)CCF;AXYDPXCJOLMTTF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86055;MM86055;C=C(CCF)N=CNC=O;LAHCPIBPHSQNOC-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86056;MM86056;C=CC(=C)N(O)C=NC=O;ZXHURSZQTNJBQI-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86057;MM86057;C=C(C#N)N(O)C=NC=O;IAXBJDRAXPANGA-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86058;MM86058;C=CCNC(=O)NN=C;BYCOBFMWZLHROX-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86059;MM86059;CN=C(NC=N)NC=N;HHEGXJFNUJQYNG-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86060;MM86060;CC(C)C(CF)CCN;CHKJCSCSSJPTTJ-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86061;MM86061;C#CC(C=O)CCNC;ZXZCDORPAVGBLV-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86062;MM86062;C=NN=CN(O)C(=N)C#N;UJKDWEBAIQMXSJ-UHFFFAOYSA-N;139.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86063;MM86063;C#CC(CF)C(C)CN;BGHRDDORPIJKJE-UHFFFAOYSA-N;129.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86064;MM86064;CN(N=CC#N)C(=N)C=O;LOSYVUHKJGHPDT-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86065;MM86065;CCNN=CCCCN;FHBIMLXKOWBPDZ-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03040;MM03040;CN(N=CC#N)C(=N)C#N;GOXWPKURGMUATG-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86066;MM86066;CN(N=CC#N)C(=O)C=O;YFICTRIOVQMFLF-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02714;MM02714;CN(N=CC#N)C(=O)C#N;TXZCMYQBUMXUMD-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86067;MM86067;C#CC=CN(C)C(=O)C=O;QYFOHGZDFXFBMO-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86068;MM86068;NCCCC=NOC=O;LZKABFTWBMQZNM-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86069;MM86069;NCC#CC=CCCN;SPDIXAVCADCUAF-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86070;MM86070;C=NNC(=N)NCC;RWLLTLILKBRYCL-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86071;MM86071;C#CC(=O)C(F)C=CCO;FUKBABJXFQZXLZ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86072;MM86072;C=NNC(=O)CCOC;OFZASYDCLCFTMU-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86073;MM86073;C#CC(=O)C(O)C=NNC;RPQPQQWLVMBKOV-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86074;MM86074;COC(=O)NC(N)=CC#N;SXAPQWKTYQPFBF-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86075;MM86075;CC(C)=CC(N)CC(C)N;DOUZZTQPOASQPH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86076;MM86076;CNN=C(C)C(O)CC#N;XNANSOCCEXEZNX-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86077;MM86077;C#CC(=O)N(C)C=CCO;UZBJVVLHJDOCRD-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86078;MM86078;C#CC(C)(F)CC(=N)NN;KRDLLEDEZQSIIC-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86079;MM86079;CON=C(C)CC#CCO;SARYQPNEUKIUAY-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86080;MM86080;C#CCC(NC)C(C)(C)N;XMXZATNBMYCWIR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86081;MM86081;C#CCCNCC(C)(C)N;NKFRIZCVUFUYPI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86082;MM86082;C#CC(=O)N(O)C=CCC;VRNXCUDZPVKWTN-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86083;MM86083;C#CC(=O)N(O)C=CCF;AVMPEQBZAWUORS-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86084;MM86084;C=C(CC)C(C)(N)CNC;MBTVJDIYRYAXFV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86085;MM86085;C#CC(=O)N(C)C=COC;KNRINKOOVRPAHK-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86086;MM86086;CNCCC(C)(F)CNC;CBCZMFVISVFPDQ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86087;MM86087;C#CC(=O)N(O)C=COC;BTWMURVJYVBHJN-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86088;MM86088;CC(C)(CCN)COC=O;XCBWTXHGWLRVIX-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86089;MM86089;C=C(C)OC(=O)CCCN;LLSSDCATLFGSCO-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86090;MM86090;C=CC=CC(N)CC(C)N;JEXZFMYCJYHXIS-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86091;MM86091;C=NNC(=N)NC;QPADXYFHJYCILH-UHFFFAOYSA-N;100.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86092;MM86092;C#CC(=O)N(O)C=NCC;XMPQSHXUFVLOMF-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86093;MM86093;CC(O)C(F)C#CC=NN;VYBDSTWHXFMQHR-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86094;MM86094;CNN=C(CO)CCC#N;FPNZDALCQBQQDY-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86095;MM86095;C=CC(CO)OC=NN;PWEWWHSUVAGFAA-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86096;MM86096;CC=NNC(=N)NC;AJVRBQSRETZJCK-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86097;MM86097;CN(C)C(=NN)NC=N;HSDNFIYFYFDQQS-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86098;MM86098;CC(CCCN)=NN(C)C;WWNYYNTXXLILKE-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86099;MM86099;C#CC(=O)N(C)C=NOC;JNURBLKLEIDAPD-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86100;MM86100;CC(N)(C=CCCN)CF;DJXVUFPPBXSMNM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86101;MM86101;CCONC(=N)N(N)CC;NQYWAJQLVOIAON-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86102;MM86102;CNN=COC=CNC=N;BFZUUHOQHMNJNE-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86103;MM86103;C=CC(C)(C)C(N)CNC;MBFSKUOGMYRCNU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86104;MM86104;C=CC(N)(CCC)CNC;OOOZTTGNGGZBAQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86105;MM86105;C#CC(=O)C(O)C=CC#N;IBWYMVGTGNMRJL-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86106;MM86106;CC(C=C(F)C(C)N)CN;OGQLFNYSFYOCMD-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86107;MM86107;C#CC(=O)N(C)C=CC=O;NBAKLECFMNYLRD-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86108;MM86108;C#CC(=O)N(C)C=CC#N;VSMOLBDSLNJTFN-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86109;MM86109;C=C(C)C(N)CNC(C)C;ZYXKOEXLTMMALT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86110;MM86110;C=C(CCN)CC(F)CN;MRXMPRAGXPUARG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86111;MM86111;C#CCC(C)ON=CCO;WGBPPAPHAXVHBS-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86112;MM86112;C#CC(=O)N(O)C=CC#N;BXJUARQEFCLZAT-UHFFFAOYSA-N;136.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86113;MM86113;CCOCCC(N)CNC;OTBQAMQKGPCEQU-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86114;MM86114;C=C(CC#CCN)CCN;XZEHGIFDUCEPGZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86115;MM86115;CC(C=NOC=O)CCN;SDATYNCOZBZCEI-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86116;MM86116;C#CC(=O)N(C)C=NC=O;SYYSLOWJVBUSNW-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86117;MM86117;CCN=C(NC=N)NC=N;ZAWTUTNSIOETSQ-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86118;MM86118;CCC(N)C(N)(CC)CC;GRPQIEHRGUMHPJ-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86119;MM86119;C#CC(=NOC)C(=C)CO;JHVVMHDHDKAPDW-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86120;MM86120;C#CC(=C)N(O)C=NC=O;ZMPKUWLSPAKSOD-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86121;MM86121;C=CC(N)CCC(N)C=C;RUEJMNXKBFKTIK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86122;MM86122;C=CC(=C)CC(CN)NC;VZGDSTWVOBIXEO-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86123;MM86123;C=CCOC(=O)CCCN;QMDLISGNOMTRLA-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86124;MM86124;C#CC(=O)N(C)N=CC=O;CDMYOPMRCWUNQS-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86125;MM86125;C#CC(=O)N(C)N=CC#N;YINJBVJAOBNGLW-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86126;MM86126;C#CCOC(=O)CCCN;JLAJBDMDJIPYIR-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86127;MM86127;NCCCC(=O)OC=CF;AUDYOAXUSCYBBY-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86128;MM86128;C=CC(OC=O)C(=N)NC;ACCIADHNRUPLGY-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86129;MM86129;CC=NOC(=O)CCCN;ZEBMXOZMODMGCG-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86130;MM86130;C=NNC(=CC=O)NC=N;JEIAVXZXKHJGDL-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86131;MM86131;CCC=CC(=O)C(O)CO;MABPSNBFKIDOFE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86132;MM86132;CNC=CC(=O)C(C)CF;CMOPKFVYLLBEMS-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86133;MM86133;COC(C)C(=O)C=CCO;QHQVDCLCCPRKNA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86134;MM86134;C=NN=C(CC)NC(=N)N;PPXLJXUYZPNKTO-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86135;MM86135;CC(C#CCN)=CCCN;OEOLESFQGWFCDO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86136;MM86136;CC(N=NC=CNO)=NN;VXQBYKPZAUQTBV-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86137;MM86137;CCC(N)C(F)CCNC;QBHDGVTWSIYMEM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86138;MM86138;CCCNC(C)C(C)NC;IJAPQTIUWIEGOU-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86139;MM86139;C=NN=COC=CNC=N;SBJABEVCRRVDHT-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86140;MM86140;C=CC(=N)N(C=O)CC=O;CGRNMJJWILBWGP-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86141;MM86141;CC(=CCCN)C(N)CF;SPKUYGUZKCZNNT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86142;MM86142;CC(=CCCN)C(F)CN;BMXRGGFAWPTFNI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86143;MM86143;C#CC(N)C(C)=CCCN;KLLYBDSGTBJIKA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86144;MM86144;CC(C=CCOC=O)CN;IMVIJSJNXFUYHY-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86145;MM86145;CCN(O)C(=O)C=COC;JPLXDJOSELLFHQ-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86146;MM86146;COC=CC(=O)N(C)OC;RBTIXCCMRPXUFY-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86147;MM86147;C#CC(CC=O)=NNC;PDGCRKLRMWJVMW-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86148;MM86148;CNN=C(C=COC)OC;DSVBHGNBGDXIKE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86149;MM86149;C#CCNC(=N)C=CNN;MZJAJQWFKFSBJN-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86150;MM86150;C=NNC(C#N)(C=O)C=O;VXGUYVOEFCRHQD-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86151;MM86151;N#CC=CC(=O)C(O)CO;TUQXVRTVWFYURW-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86152;MM86152;N#CC=CC(=O)C(F)CO;WYFFZIXZPDLUEO-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86153;MM86153;CC(CN)CC=NNC=N;MXDDKMOCSUTZIG-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86154;MM86154;CON=CNC(=N)N;WQEASNBMDPVVOZ-UHFFFAOYSA-N;116.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86155;MM86155;C=NN=CC(=C)C(O)CO;BGRNQWFBNBVJHQ-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86156;MM86156;CCN(O)C(=O)C=CC=O;MDKQNXHZOKWEKE-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86157;MM86157;CCN(O)C(=O)C=CC#N;UZBIVJPONTYIIR-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86158;MM86158;CON(C)C(=O)C=CC=O;KXUKEGBPMFPJCX-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86159;MM86159;NCCC(CF)COC=O;GFKNLVIIILDAGO-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86160;MM86160;C=NOCC(CF)CCN;IDSHYICKZOTEMG-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86161;MM86161;C#CC=CC(=O)C(F)CO;BYGGKCNADZDMNY-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86162;MM86162;C=CC(CCN)COC=O;KUAOBPPTAUQBCL-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86163;MM86163;C=CC(CCN)CON=C;SOZUOAPCNHKDFF-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86164;MM86164;C=C(C=CCO)C(O)C#N;PENDFJMNVWMOQZ-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86165;MM86165;CC(C#N)C(=O)C=CCO;SBNWJICSZSLFMF-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86166;MM86166;C=CC(C)C(=O)C=CNC;ZQXUSKMTMCNLMD-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86167;MM86167;CNC=CC(=O)C(C)C=O;DWVFNNVGSKJDPV-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86168;MM86168;CNC=CC(=O)C(C)C#N;ZLUNIZICYKPBMI-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86169;MM86169;C=C(C=COC)C(O)C#N;ZVWUTFIZNKHNIS-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86170;MM86170;CC(=NO)C(N)CCCF;VDXPILZTVOSJML-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86171;MM86171;NCCCC=CN(O)C=O;GJJMBQSUWILCLM-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86172;MM86172;CNN=CC(=O)C(C)C#N;KFXGTMGFBSCNIK-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86173;MM86173;CNN=CC(=O)C(F)C#N;NWOGEVRDUQVLTR-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86174;MM86174;C=C(C=NOC)C(O)C#N;NAEIFUHJWDVCTL-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86175;MM86175;C=CC(CCNC)NN=C;CQVUFOUWCPGQHL-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86176;MM86176;C#CC(C=CCN)CNC;BWCSNZOTCXHQBJ-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86177;MM86177;COC=C(CCCN)OC;UNOZAZXESAEGGS-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86178;MM86178;CCC=CC(=O)N(C)C=O;NNIKZOQONFQKHL-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86179;MM86179;CON=C(CCCN)OC;ZFKZUNLGHAWRTJ-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86180;MM86180;C=NN=C(CCCN)OC;PAFNDZBBBYNJRU-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86181;MM86181;CCC=CC(=O)N(O)C=N;GBLLFOSWDWBSJI-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86182;MM86182;CNCC(=CCCN)OC;WQRUPOWEVSXQPI-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86183;MM86183;C=CN(C=NC)CC=NO;QEQICQUVCYWKQH-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86184;MM86184;COC(=CNC=N)CCF;OJYLFEVEYKJHSU-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86185;MM86185;C#CC(C=NO)CCN;GUFZBKAXORKLPA-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86186;MM86186;C=C(F)C(CCNC)NC;ZMJRUGJWHXUECX-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86187;MM86187;C#CC=CN(NC)C(C)=N;VODXMGQSYBUTMG-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86188;MM86188;COC(OC)C(C)CCN;HQFQHAMBZWQMGU-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86189;MM86189;C=CN(O)C(=O)C=COC;NKMZUKGBBKWGOA-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86190;MM86190;COC=CC(=O)N(O)C=N;ACNMXQBETSBQEH-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86191;MM86191;C=CCN(C)C(CN)=NC;GAARXMMVLLEGFB-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86192;MM86192;NCCCC=NNCCF;RRTVIGQVGMRNAD-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86193;MM86193;CC(C)CCN;BMFVGAAISNGQNM-UHFFFAOYSA-N;87.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86194;MM86194;NCCCCF;CULGXMIWFKMPMB-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86195;MM86195;C=NNC(=O)NCC;JSZFXMVDLQVGDN-UHFFFAOYSA-N;115.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86196;MM86196;CCNC(=N)NC(N)=O;DXSMBVYQTYDRHI-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86197;MM86197;C=C(C)C(=NO)NC(=N)N;PNKYZOMETOSDIV-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86198;MM86198;CNC(=O)C(F)C=NN;QNWUGIDQBAIMGV-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86199;MM86199;N#CCN=C(N)NC=N;OVSGXSAQZXPBQV-UHFFFAOYSA-N;125.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86200;MM86200;N#CCN(O)C(=N)CF;REJHOOVCVKHHBX-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86201;MM86201;CON=C(C=CC=O)CO;NXIVRZYDXCTIMC-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86202;MM86202;C#CC(O)C(C#C)C(=N)N;QIMHQDJNCNJRGH-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86203;MM86203;C=CN(O)C(=O)C=NNC;GAZYFZDLWABDJW-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86204;MM86204;C=CCCCN;UVBBCQLPTZEDHT-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86205;MM86205;NCCC1CC1;ZOGZOXRETBBBJI-UHFFFAOYSA-N;85.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86206;MM86206;C=COC(=C)N(O)C(=N)N;GDBMUANXGRBYQN-UHFFFAOYSA-N;143.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86207;MM86207;CC(C)(O)C(N)=CC#N;FIMQNIKRUXIFKB-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86208;MM86208;C#CC(ON=C)OC(N)=O;DBRPQOOZVZWPKC-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86209;MM86209;NCCCC(F)F;UREOFAQFBIQBEZ-UHFFFAOYSA-N;109.12;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86210;MM86210;C=C(C=CC=O)C(O)C#N;YLXSHCFZIQOJIC-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86211;MM86211;C=C(C=CC#N)C(O)C=O;BZVYRTKPCHUVEI-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86212;MM86212;C=CC=CC(=O)C(O)C=O;HPNHSUVPBFWOMH-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86213;MM86213;C=CC=CC(=O)C(O)C#N;XNUGPJPQKBILMX-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86214;MM86214;N#CC(O)C(=O)C=CC=O;IZOIZMDSARXKGM-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86215;MM86215;N#CC=CC(=O)C(O)C=O;HWPDUPSMSDGOFJ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86216;MM86216;N#CC=CC(=O)C(O)C#N;BEDOTWQXZRDRRR-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86217;MM86217;C=C(C=CC=O)N(C)C=O;NCPOBNRWUJEJBH-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86218;MM86218;C=NOC(=NN(C)C)NO;JEPZUSIVXUBQOM-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86219;MM86219;CCC(C)CCN;JLAUIBFZZUVOBB-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86220;MM86220;C#CCC(C)CN;HDDJERJWCUVSFP-UHFFFAOYSA-N;97.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86221;MM86221;CC=CN(N)C=N;JNLVWVCUHZZMCO-UHFFFAOYSA-N;99.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86222;MM86222;C#CC=CNC(=N)C(C)O;CPOILHUMZZSUBH-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86223;MM86223;C=CC=CC(=N)N(O)C=O;VNPGZTFCZOPQEE-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86224;MM86224;COCCCCN;YUUFAJOXLZUDJG-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86225;MM86225;C=CC=CC(=O)N(C)C=O;BTVYOQNPGSOGCS-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86226;MM86226;CN(C=O)C(=O)C=CC#N;ZIDMUVVGIAVCMD-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86227;MM86227;NCCCC=CF;FAHOUDLOSPKFIC-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86228;MM86228;C=CN(O)C(=O)C=CC=O;AQWULPJYNPTBTA-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86229;MM86229;C=CC=CC(=O)N(O)C=N;ZQEDRVJAHHBMMR-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86230;MM86230;C=CC1CC1CN;LHAYPRVWFNHURS-UHFFFAOYSA-N;97.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86231;MM86231;CC(C)(F)CCCN;ZORDECCTTMQXDR-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86232;MM86232;CC(F)(F)CCCN;HYNONZQLNWUFIJ-UHFFFAOYSA-N;123.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86233;MM86233;CC(F)=CCCCN;OGMJVZPFDHQYLZ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86234;MM86234;CNN=C(CO)NC(=N)N;UCEZQHJZSCDKIR-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86235;MM86235;CCC(F)CCCN;RTFCDZNVVOREPY-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86236;MM86236;NCCCC(F)CF;CUEZHGVSIMUUOW-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86237;MM86237;COC(C)CCCN;NKXHKDQGLVQGAN-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86238;MM86238;C=CN(C(=C)C)C(=N)CO;ATFFYSXGBASKAR-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86239;MM86239;C#CC(F)CCCN;CRONBIZONICMSB-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86240;MM86240;C=C(CF)CCCN;OBMOZORFPYNCPE-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86241;MM86241;CC(=CF)CCCN;VMMSQAGOLKJAAJ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86242;MM86242;NCCCCOC=O;ZGKTZLKVUZAQSG-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86243;MM86243;NCC#CCCCN;YSAQTELNGOPEGM-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86244;MM86244;C=C(C)CNCC(C)C;VQELOBGJXJRQIO-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86245;MM86245;C#CC=CC(=O)C(O)C=O;NXUYYYCQYDAQEV-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86246;MM86246;C#CC=CC(=O)C(O)C#N;DVZIZJZQCCWUJF-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86247;MM86247;C=C(CCN)CN(C)C;YELGZHWKRSSXNS-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86248;MM86248;NCCCC(F)(F)CF;ALRQSEZLCIMDDU-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86249;MM86249;CCN(C)CC(C)CN;SICIHXOPFHRGOG-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86250;MM86250;C#CC=CC(=O)N(C)C=O;STSIDBGLEPSVAA-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86251;MM86251;CNC(=N)C#CC(C)F;JHLBQESMCJWEER-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86252;MM86252;C#CC(CF)NC(C)=N;UBFYYSOHMGZUPW-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86253;MM86253;C#CC(O)C(=C)C=CCO;CYGJZGITNGOSPR-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86254;MM86254;C#CC(O)C(=O)C=CCF;MUPQTYXGOKUVTL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86255;MM86255;C#CC(F)C(=O)C=CNC;IZSFHOUECDMAHW-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86256;MM86256;CN(C=N)NCC(=O)C#N;YBVCVGCXCIXZDX-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86257;MM86257;C#CC(O)C(=O)C=NNC;UIZKOBQKCJSOLL-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86258;MM86258;C#CC(F)C(=O)C=NNC;CGXBUTGBSMSRJO-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86259;MM86259;CC(=O)OCCCCN;DAAYKHPGIBVWRL-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86260;MM86260;C#CC(O)C(=O)C=NOC;ZSNVQTBRIVEJOH-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86261;MM86261;C#CC(O)C(=O)C=CC#N;HTSIFRUKJJIMDG-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86262;MM86262;CN(C)CC=CCCN;CLTFENQMYIXVML-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86263;MM86263;C=C(CC)CN(O)C(=N)N;YUSJGWZABXCEBV-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86264;MM86264;C=C(CF)C(=O)C=CNC;ZTGYYSYHJPXAGC-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86265;MM86265;C=C(CO)C(=O)C=COC;FLOIUWZUKJCQBU-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02557;MM02557;COC=CC(=O)C(=O)CF;VAUZPOPACZFJNU-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86266;MM86266;C#CC(=NOCC)NO;NDRUCBVEGTURDR-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86267;MM86267;CC=C(C)CN(O)C(=N)N;WXLUXBXKBHUUER-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86268;MM86268;CCC=CC(=O)C(=O)NO;MZUOJSQHNKXGNC-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86269;MM86269;NCCCC(F)CCF;AEDINRKKJJDIOT-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86270;MM86270;C=C(CC(C)NC)C(C)O;RLSVECYJGGSCMK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86271;MM86271;COCC(F)CCCN;SSMVPGAVFAQTGN-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86272;MM86272;CNC(=O)C(=O)C=COC;XULIGXYMUNBAKI-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86273;MM86273;C=C(OC)C(=O)C=CCO;JOVCODJGAGEHSC-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86274;MM86274;COC=CC(=O)C(=O)OC;ULVZASULKYKRBU-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86275;MM86275;CON=CN(O)CCO;GTVBYJUYSXVQND-UHFFFAOYSA-N;134.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86276;MM86276;CNC(=NN=CCO)OC;OUUANCNYEIPINX-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86277;MM86277;CNC(C)CC(=CF)CO;PMQWMAXPYHCGIP-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86278;MM86278;C=C(C=NNC)C(=O)NO;KYLMVOFLHDIYJP-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86279;MM86279;CNCCC(C)(C)CO;DEJARBPGPZTGTE-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86280;MM86280;C=C(CO)CC(C)NC;CRXLUPKZEWQUQE-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86281;MM86281;COC=NNCC=CCO;FAYJPXUDOBLCTI-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86282;MM86282;CON=C(CCO)CCF;QEDZBMDPEPCGTR-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86283;MM86283;C=C(C=CC#N)C(=O)CO;XTUWJNSXCVNSCR-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86284;MM86284;NC(=NO)C(=O)C=CC=O;QDUKKNASGSPKHJ-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86285;MM86285;CNC(=O)C(=O)C=CC#N;NGZXTRKWLNLXAG-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86286;MM86286;N#CC=CC(=O)C(=O)NO;AWNWHINHBDTRFK-UHFFFAOYSA-N;140.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86287;MM86287;C=NN=CC(=O)C(=O)CO;WOVNLGCLICWYCW-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86288;MM86288;C=NNCC(C)CCN;CAIHOSLUHSGTTM-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86289;MM86289;C=NNC(C)CCCN;HKGVVUJXIJSEMX-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86290;MM86290;CCN=CC=C(C=O)NO;VFOXTEYWGQEVDL-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86291;MM86291;C=NN=CC(=O)C(=O)NC;IOINUKQHFLVKME-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86292;MM86292;C#CC=CC(=O)C(=O)CO;HDHWMHDLAIQJBR-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86293;MM86293;C=NOC(C)CCCN;BJKLSMGJKWQYCV-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86294;MM86294;C#CC=CC(=O)C(N)=NO;AZQUNVJEEJTOIL-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86295;MM86295;C#CC=CC(=O)C(=O)NC;ABCKKJDMARHLOZ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86296;MM86296;C#CC=CC(=O)C(=O)NO;OWPIQNCGHJHSJJ-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86297;MM86297;C=C(C#N)C(=O)C=CNC;XHQYEGFGWPHAFM-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86298;MM86298;CNC=CC(=O)C(=O)C=O;AOGHVOLWDVRHSQ-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86299;MM86299;C=C(CCF)CCCN;SZFNXNKAHXRBIK-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86300;MM86300;CONC(=N)C(F)C#N;PMPWXSUGEZPVHO-UHFFFAOYSA-N;131.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86301;MM86301;C=NN=C(NC)OCC=O;WEMOGMGNLHVQJH-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86302;MM86302;N#CC=CC(=O)C(=O)C#N;QLSDDMWUBHXWOY-UHFFFAOYSA-N;134.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86303;MM86303;C#CC(=O)C(=O)C=CCO;JWGKDMVWOJGEOS-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86304;MM86304;C#CC(=O)C(=O)C=CNC;SAZWOQNNPOURSP-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86305;MM86305;CC(C=O)C(N)=CC#N;QSXIGWJIFOIFSQ-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86306;MM86306;C=NNC(C#N)=CC=O;ZKJVBPXFDURFAR-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86307;MM86307;C#CC(=O)C(=O)C=CC#N;AHFCZGVUTYBXIX-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86308;MM86308;C#CC(C#N)(C=O)NN=C;LHIMUQGVDWCENI-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86309;MM86309;CCCN=C(C)NNC;KEOIMFNMKGIIFE-UHFFFAOYSA-N;129.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86310;MM86310;C=NOC(C=NN)=NN;XMABRGQOCIYOBD-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86311;MM86311;CNC(N=CN(C)O)=NN;OODWSWYTCJTJFR-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86312;MM86312;CNC(C)C(C)CO;WVIAIFKVKDAIIE-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86313;MM86313;CCC=CN(O)C(C)=NO;GLNVAWYGWHAMHZ-UHFFFAOYSA-N;144.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86314;MM86314;C=NN(C)C(=O)C=CN;PYAAQHJUSRDFQD-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86315;MM86315;C=C(C)C=NNC=O;QCAHUQCGPGFYBU-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86316;MM86316;CCN=CN(O)C(C)=NO;KHTRRZANXDTJNC-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86317;MM86317;CNN=CN(O)C(C)=NO;GIYKYEKGYNFBAG-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86318;MM86318;C=NNC(=O)C=CC(C)O;NDOURYVRHIYQPN-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86319;MM86319;COC=NN(C)C(C)=NO;KDWBDYYHVWDMQK-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86320;MM86320;C=NNC(=O)C=CCCO;ACXRUDLYSIDKLX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86321;MM86321;CC=NN(C)C(=O)NN;IUQXJAMLCOXMPX-UHFFFAOYSA-N;130.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86322;MM86322;CC#CCNNC=O;OKZFCDJITQTPEO-UHFFFAOYSA-N;112.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86323;MM86323;CC(=NO)N(O)C=CC#N;WSNKUWVVYHONFK-UHFFFAOYSA-N;141.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86324;MM86324;CC(CN)C(C)N(C)C;NWXSDMIIPUTCAK-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86325;MM86325;C=NOC(CO)=NN=CC;OCNHZSFDAPXRFK-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86326;MM86326;CC(F)=C(C)CCCN;JHJOIFONSDUHHX-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86327;MM86327;CC#CCNN(C)C=N;MAECHUFCDHRAFK-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86328;MM86328;CCNCC(CO)CCF;KVMQJYKPTKHAIA-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86329;MM86329;CC(=CCCCN)CF;RGEOYCFZYWRMOJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86330;MM86330;CNC(=O)CN=C(C)NC;KHSJJCVYTYSNSL-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86331;MM86331;CC(=NO)N(C)N=CC#N;MYMDPDMTQZIKOE-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86332;MM86332;COC=CC(=O)C(C)=CN;IUGGGERNEUIRIJ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86333;MM86333;NCCCC=C(F)CN;NHBXPRWQFOVEKV-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86334;MM86334;CC(CF)C(C)CCN;GXTYELPOFPVGSC-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86335;MM86335;CNCC(N)C(C)CF;HHXUSVDENZXAGH-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86336;MM86336;C#CCC(N)C(C)NC;AYECFDDSNXGYOG-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86337;MM86337;CCC#CC(C)C(O)CO;RRMQAGHKQFDRLI-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86338;MM86338;COC(CCCN)OC;TYVAXMOICMBSMT-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86339;MM86339;C#CC(CCCN)OC;UHUQBEZYINPABF-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86340;MM86340;C=CNC(N)=NNC(=N)N;FRUVAGPPRGKAQR-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86341;MM86341;CCC(=CF)CCCN;YXQAIALYKUDPSA-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86342;MM86342;CNCCC(C)CNC=O;XJJGPDRTWXXDJC-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86343;MM86343;CC(CN)CCCNC=O;DPPNGGNONUEILE-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86344;MM86344;CCC#CC(O)C(O)CF;UPGRRTSAOOXLBG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86345;MM86345;CCC(F)C(O)C#CCO;RJNVQQSPFCFTIN-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86346;MM86346;CC(CN)CCCO;JFENECNVZGWOMD-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86347;MM86347;CC(=O)N(N)C=C(F)CO;MDWJWJCHICRUOM-UHFFFAOYSA-N;148.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86348;MM86348;C=CC(=CF)CCCN;PBEULQZFZVQJOL-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86349;MM86349;CNC(=N)NC(=N)CC#N;JTBXJPNKODJKHV-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86350;MM86350;CNC(C#CCO)=CC#N;DAVAOEODPQMMKL-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86351;MM86351;CC=NOCC#CC(N)=O;XOLQMUPKQYCMLA-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86352;MM86352;C#CC(=NOCCC)NO;MAKLVHAKKJOYKY-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86353;MM86353;COCCN(O)C=NOC;DPAWANBXHWUVFR-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86354;MM86354;C=CCOCCCCN;KFKCZVUOCBEGQI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86355;MM86355;C#CCOCCCCN;RFCLGZGBUGBAFV-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86356;MM86356;NCCCC=COC=O;BLCWVSYWGNEGFJ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86357;MM86357;C#CC(C(C)N)C(C)(C)N;MQHNCRQQBVRQFV-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86358;MM86358;C#CC#CCNN=CCO;ONAHFEMJNKLVEN-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86359;MM86359;CC=NOC=NNCCO;CPOFRAQSHSJBBX-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86360;MM86360;CC(C#CC#N)C(O)CF;QNBKXMSRHXZAQS-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86361;MM86361;CC(C#CC=O)C(F)CO;VGHTUCYUMATSMI-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86362;MM86362;CC(N)(C=CCN)CCF;JWTMJCVEPFLIRF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86363;MM86363;CNCCC(C)(F)C(C)N;QLBDALYIABYBAX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86364;MM86364;CCNC=C(C#N)CCO;CLWDLXZPGJKBGJ-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86365;MM86365;C=CC#CC(O)C(C)CO;GLHPQSFWLNTEAM-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86366;MM86366;CCC(O)C(O)C#CC=O;BMRPZHZXMDJILV-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86367;MM86367;CCC(O)C(O)C#CC#N;QNHCPCXOWHDNOQ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86368;MM86368;N#CC#CC(O)C(F)CO;OBWQHHTVHQAXIW-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86369;MM86369;O=CC#CC(O)C(F)CF;QBEHBAZTSHRFGK-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86370;MM86370;CNN=C(CC#N)CC=O;PZZIVWOPVFMNTF-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86371;MM86371;O=CC#CC(F)C(O)CF;DUZVBPQETYYTMV-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86372;MM86372;N#CC=CNCCC=O;CPZKYXQWPCTJQX-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86373;MM86373;COC(C)C(O)C#CC=O;LFDLOFCGUWBVJK-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86374;MM86374;C#CC#CC(C)C(O)CO;XUCLGADYUIKXNS-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86375;MM86375;C#CC#CC(C)C(O)CF;VWYRFRDGFXTMOO-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86376;MM86376;CC(=O)CC(N)=NC(C)C;OGQZHJSMUNIWMF-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86377;MM86377;C#CC(=O)N=CN(C)N=C;VSRSZRDEWBHRNZ-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86378;MM86378;C#CC(F)C(C#N)NN=C;KFVYTEPDRUIEAI-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86379;MM86379;CN=C(N)C(=O)C#N;BDGXOGXWQCLDHF-UHFFFAOYSA-N;111.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86380;MM86380;C=CCNN=C(C)OC;XGBGJFLRGIOZCL-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86381;MM86381;C=C(N=CN)C(C=O)OC;RFBYLCYDSFCRIS-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86382;MM86382;C#CC#CC(F)C(O)CO;NQUPOLVXWUDEGO-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86383;MM86383;C=C(F)C(C)(N)CCNC;OCBSILDODVTHCH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86384;MM86384;C=NNC(=N)OC(=O)C#N;KTUYDEJVOFYGPF-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86385;MM86385;CCNCC(C)=CC(C)N;SOMRRIYKDOZEBX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86386;MM86386;CN(C=N)C(=N)NCC#N;MPGDWGORFJPAEK-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86387;MM86387;CC(C#CCO)C(O)C#N;NPOHBQNRCNDQTA-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86388;MM86388;CC(C#CCF)C(O)C#N;BPDLXIARTSGBKK-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86389;MM86389;CC(F)(C=CCCN)CN;DGRDXCJWKHCMFS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86390;MM86390;C#CC(C)(N)C=CCCN;OTAZFECMXDYJNN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86391;MM86391;CCC#CC(O)C(O)C#N;DPEBQRIVTYVOIL-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86392;MM86392;N#CC(O)C(O)C#CCO;SMTXQYNBAIREDN-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86393;MM86393;C=C(C)CCC(N)CNC;ANWZHHPTPANYBR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86394;MM86394;C=CC(O)C(F)C#CCO;ATTFWNMOFJMHAU-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86395;MM86395;O=CC(O)C(F)C#CCO;WBBBMJFWAMGXJD-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86396;MM86396;N#CC(O)C(F)C#CCO;FLCPVDWAEIEZTB-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86397;MM86397;CC(C#CCO)N(C)C=O;GQOMTXHCIWWJOT-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86398;MM86398;CC(C#CC=O)C(O)C#N;SLSGAIDBTSISAT-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86399;MM86399;C=C(C)CCC(=N)NC=N;DSVBUUZWXJQVDS-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86400;MM86400;C=CC(C)C(O)C#CC=O;CHCDFCXZKDJXHZ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86401;MM86401;C=NNC=C(C#N)CF;OVPTUJMYEBGRSY-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86402;MM86402;N#CC(O)C(O)C#CC=O;OEUOQEHTQNBAPB-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86403;MM86403;O=CC#CC(O)C(F)C=O;ZOFUISYZPXGSDB-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86404;MM86404;N#CC#CC(O)C(F)C=O;RRJAOBHZVDPUTP-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86405;MM86405;N#CC#CC(O)C(F)C#N;UGTWTRDZXWHHQY-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86406;MM86406;CON=C(C#N)N(C)OC;SQZPMVVEJBIRFY-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86407;MM86407;CC(CO)C(C#N)=CC#N;BGRKPNOBLGOPFO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86408;MM86408;N#CC=C(C=O)C(O)CO;FQVPGNHEPPHZOK-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86409;MM86409;N#CC=C(C#N)C(O)CO;OFPAWNCZWJLTGJ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86410;MM86410;N#CC(=CC=O)C(O)CF;GQCAFMNWUYQUMA-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86411;MM86411;N#CC=C(C#N)C(O)CF;VFYLTMOPECZBFY-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86412;MM86412;N#CC(=CC=O)C(F)CO;YDPQMDQAJKNWEF-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86413;MM86413;N#CC=C(C=O)C(F)CO;AXJUGMZNDKJGBO-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86414;MM86414;CC(N)CCC(=CF)CN;JOEJLZQFFUGYQF-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86415;MM86415;COC(C)C(C#N)=CC#N;FNQVJBTZLJVMII-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86416;MM86416;CC(C)C(=NN)OC=NN;ARWKYTFOQRCPGD-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86417;MM86417;C=CC(=NN=C)C(O)CO;ICMDLCOEUMUEIH-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86418;MM86418;C=NN=C(C#N)C(O)CO;CLVFNMAGWWZFBP-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86419;MM86419;C=NN=C(C#N)C(F)CO;RAAAYJPBAYBEJK-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86420;MM86420;C=CC(N)C(C)C(C)NC;XLHMWGTYCKBPRG-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86421;MM86421;C=C(C=NNC)CCNC;BNHKZKWBCLIDRF-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86422;MM86422;CCN(O)C(C#N)=NC=N;BPEDBFRFZGIWQK-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86423;MM86423;CCN(O)C(C#N)=NC=O;MHOFOYLACUQKDO-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86424;MM86424;C=NN=C(C#N)N(O)CC;XVHRETRUVMOBOC-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86425;MM86425;C=C(C=NOC)CCNC;PQULANYKWJEJOT-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86426;MM86426;C=CC(N)C(C)CNCC;HSZPCPJIMKGLNR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86427;MM86427;CON(C)C(C#N)=NC=O;BULSBRYOQGYUEK-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86428;MM86428;C=NN=C(C#N)N(C)OC;VXTJSDNCJOFBMY-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86429;MM86429;C#CC=C(C#N)C(O)CF;AEFVGAHIPBPFKS-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86430;MM86430;C#CC=C(C=O)C(F)CO;XWFKUCZYRYXNDQ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86431;MM86431;CC(C#N)C(C#N)=CCO;GCEWURFVTWWDEO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86432;MM86432;C#CC(C)C(N)CCCN;IXOVVTLKWVNUJW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86433;MM86433;N#CC(=CCO)C(F)C#N;ILSIDKQQCKAYRZ-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86434;MM86434;CNC=C(C#N)C(O)C#N;JOEYNFQJHRYEDL-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86435;MM86435;C=CC(F)C(C=O)=CNC;LXJUVLZZFOZDDQ-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86436;MM86436;COC=C(C#N)C(C)C#N;BPULRQDMNPMWPL-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86437;MM86437;C=CC(=COC)C(O)C=O;NSHATCIFJRYJCU-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86438;MM86438;C=CC(=COC)C(O)C#N;PYKFRBMYGHYCBY-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86439;MM86439;COC=C(C=O)C(O)C#N;ICQRGPNUCJAHRA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86440;MM86440;COC=C(C#N)C(O)C#N;RWRIDLYRJHGOGO-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02550;MM02550;COC=C(C#N)C(F)C=O;LDRFRJOMULXOAC-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86441;MM86441;CNN=C(C#N)C(C)C=O;ADRBTYLTAOCOOJ-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86442;MM86442;C=C(CF)NC(=NN)NC;QDZRKFQHXLQVHD-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86443;MM86443;CNN=COC(C)C(=N)N;JCFUWSZDKFBKFK-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86444;MM86444;CC=CN(OC)C(=N)N;FVYYMGUPDWIYHS-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86445;MM86445;C=CC(=NNC)C(O)C#N;QIWNYKRSNDAAAW-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86446;MM86446;CNN=C(C=O)C(O)C#N;OZBLFSRKMAURTQ-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86447;MM86447;CNN=C(C#N)C(O)C#N;IYHXYXBMXPSRCE-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86448;MM86448;C=CCC(=CN)C(=N)NN;IIXZYJMJXIYRNG-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86449;MM86449;CNN=C(C=O)C(F)C=O;XYBGFCQEVUHKEJ-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86450;MM86450;CNN=C(C=O)C(F)C#N;HCZZDUKYHHEFCB-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02753;MM02753;CON=C(C#N)C(C)C=O;QAUZULGDEVCVJO-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86451;MM86451;C=CC(C)ON(C)C(=N)N;UOBSXQBCRFBGSY-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86452;MM86452;C=NNC(CC#N)C(=N)N;GGRVXCMFZHVBFN-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86453;MM86453;C=C(CN)C(=NO)OC;USFCVRYGDGDPEM-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86454;MM86454;C=CC(=NOC)C(O)C#N;IMCQLKOTTIIKHT-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86455;MM86455;C=CC(O)C(C#N)=NOC;SRPVYLFRGQMFRT-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86456;MM86456;CON=C(C=O)C(O)C#N;XFJXOAOSNWLDHK-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86457;MM86457;CON=C(C#N)C(O)C#N;KZSFEYXPGDARPI-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02738;MM02738;CON=C(C=O)C(F)C=O;SGMLEYXHAHFWRG-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02725;MM02725;CON=C(C#N)C(F)C=O;ZMOAIKNKHPRGNE-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02729;MM02729;CON=C(C=O)C(F)C#N;HCBJYCWXXQQSOB-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02717;MM02717;CON=C(C#N)C(F)C#N;VPLHUCSVNZKCTE-UHFFFAOYSA-N;141.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86458;MM86458;CON=CC(O)C(=N)N;FUKQQFMYXVPXTG-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86459;MM86459;C=CC(N)C(=C)CCNC;CRPXZDRMPZRJRT-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86460;MM86460;C#CC(O)C(=CC)NC=N;OHMJLMBQNNLORV-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86461;MM86461;C=CN(O)C(=N)NC(=C)C;PDPLHGOHJFATPM-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86462;MM86462;CNC=C(C#N)N(C)C=O;YOMLAOHXSLCAOT-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86463;MM86463;C=C(C)C(O)CNC=NC;FPKXIPRLIGFQFD-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86464;MM86464;C=C(CCNC)C(C)=CF;HFGOTWSFEPHYFR-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86465;MM86465;COC=C(C=O)N(C)C=O;DOBWNSRGVSGHSE-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86466;MM86466;COC=C(C#N)N(C)C=O;PPWLRTWSHNKQGX-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86467;MM86467;C=CC(C)=CNC(=N)CO;KHGKRKIMUNQHQS-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86468;MM86468;C=CC(=COC)N(O)C=O;MXNOJWLRADKRBI-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86469;MM86469;C=C(CCNC)C(C)=NN;JQAKOSWGNPFDSU-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86470;MM86470;C=CC(C)NC(=N)NO;XUIRRLOMWPOYBM-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86471;MM86471;CON=CNN=CCC#N;OGDDYTXNDFBAJF-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86472;MM86472;C#CC(F)C(=NN)ON=C;HFMCHICTDGZVGT-UHFFFAOYSA-N;143.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86473;MM86473;CCC(C)N=C(NC)NO;LBUZXNHUAXZCTF-UHFFFAOYSA-N;145.21;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86474;MM86474;C=C(C)C=C(CO)NC=N;GCTHBRPEERQFOS-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86475;MM86475;COCC=C(CO)NC=N;OBECRQDUXSBEBQ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86476;MM86476;C=CC(NC(C)=N)C(C)=O;CZMYYMANQIDQSB-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86477;MM86477;C=CC(NC=N)=C(C)CO;BQMADAUSACTGCG-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86478;MM86478;CNN=C(C=O)N(C)C=O;JDKHENQGEQWQNO-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86479;MM86479;CNN=C(C#N)N(C)C=O;XBHWKKMHRUNLRI-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86480;MM86480;CN=CNC=CC(C)O;MTXIJAKFZHVWJB-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86481;MM86481;C#CC=NNC=NOCC;VIMLRVYXNATEOS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86482;MM86482;C#CC(=NN)N(N)C(C)=O;LOAXKZZFUKMWTD-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86483;MM86483;C#CCOCOC=NN;UIWMMWITUXRHJN-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86484;MM86484;CC(C)(OC=O)OC=NN;KAKBDFFTCUZTIC-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86485;MM86485;C=CN(O)C(C=O)=NNC;IGCWNJNJJRUDKQ-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86486;MM86486;C=CN(O)C(C#N)=NNC;SDMVGEPCEKHQGV-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86487;MM86487;C=CNC(C=C)=NCCO;PKNJMSHZSHCMAM-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86488;MM86488;C#CC(=N)N(C)CCCO;PBGREARQXMRQQZ-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86489;MM86489;C=CC(=NOC)N(C)C=O;SRNAPJVBGDWFFR-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86490;MM86490;C=CC=CC(=N)N(N)C=C;JLYKUTLPNKWQBQ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86491;MM86491;CC(=CCCN)C(C)CN;JAHXISMLUNSQJV-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86492;MM86492;CON=C(C#N)N(C)C=O;JROISMMUEQTFOI-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86493;MM86493;CNCCC=CC(F)CN;GSBRJXWXBWDNTJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86494;MM86494;C=NOC(=O)C=C(N)C=O;SMHDMBFZPIILDO-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86495;MM86495;C=CN(O)C(C=O)=NOC;OTVPSZXSDADTTC-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86496;MM86496;C=CN(O)C(C#N)=NOC;HIKZSBZRIWNDCO-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86497;MM86497;CC(=N)NC(C=O)C=CF;KASHZVWMVYUNGI-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86498;MM86498;C#CC(=N)NCCCC=O;RGWUNJYUJKCKBJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86499;MM86499;C#CCC(CN)C(C)NC;XQWZVEMRQCQVQP-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86500;MM86500;CN=CNC(N)=CC#N;RQCKHLVLQHGJAU-UHFFFAOYSA-N;124.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86501;MM86501;C=C(C)C(C=O)NC(C)=N;DDXVKQRFOYESFW-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86502;MM86502;C=CC(CNC)C(N)CC;MPVKHGBVVOGVPL-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86503;MM86503;C#CC(CCN)C(C)CN;JUYZKDKATQLHNY-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86504;MM86504;CC(C#N)C(C#N)=CC#N;VRTGSAQNLKVFDY-UHFFFAOYSA-N;131.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86505;MM86505;C=CC(=CC=O)C(O)C#N;ZACMCXXQIJGEND-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86506;MM86506;C=CC(=CC#N)C(O)C=O;QGXDXKLHUQRUFV-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86507;MM86507;C=CC(=CC#N)C(O)C#N;PKKDDBVZKQBBJM-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86508;MM86508;C=CC=C(C=O)C(O)C#N;KXOLHNDTIMGNEL-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86509;MM86509;C=CC=C(C#N)C(O)C=O;QZSMSIDCHZBMLP-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86510;MM86510;N#CC(=CC=O)C(O)C=O;OUMRPTKHXXDTCM-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86511;MM86511;N#CC=C(C=O)C(O)C#N;XHZZCPHJYNUHCM-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86512;MM86512;N#CC=C(C#N)C(O)C=O;NOSXHOHBTRYDFT-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86513;MM86513;N#CC=C(C#N)C(O)C#N;HXGHNBJNOUJLLW-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15652;MM15652;N#CC=C(C=O)C(F)C=O;ACEMEUPTJJQUHB-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15621;MM15621;N#CC=C(C#N)C(F)C=O;FBHCHQYYNKCONG-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86514;MM86514;C=CC(=NN=C)C(O)C#N;SZYDVXLEHMHESH-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86515;MM86515;C=NN=C(C=O)C(O)C#N;BRUJBQKPKAGVMJ-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86516;MM86516;C=NN=C(C#N)C(O)C#N;NOCMKUVOQPYGMP-UHFFFAOYSA-N;136.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86517;MM86517;C=C(CC)C(CN)CCN;LGMCULWRQRZMMJ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86518;MM86518;C=CC(=C)C(CN)CCN;MYFWZJQLNDTARW-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86519;MM86519;C#CCC(CN)CNCC;QTMWWVITGLSNBD-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86520;MM86520;CN(C=O)C(C#N)=CC=O;NELNWLHULKEJQT-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86521;MM86521;CN(C=O)C(C=O)=CC#N;LHCAHFZZBPHTLI-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86522;MM86522;C=CC(=CC#N)N(O)C=O;HCJJFWKHPAFXNA-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86523;MM86523;C#CC(=CNN=C)C(=N)N;QKZMNEYAVHRACR-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86524;MM86524;CCN(C)NC(=O)N(C)C;XHOXTINAYYMMIC-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86525;MM86525;CNCCC(=CF)CNC;GDTBAHKDQZVTFW-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86526;MM86526;CNCCC(C=NN)=CF;KJZJPTIUFHYURE-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86527;MM86527;CCC=CC(CN)CCN;IONYQFOKGALHLD-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86528;MM86528;C=CN(C)C(C#N)=NC=O;WTPOPANVWMQIEO-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86529;MM86529;C=CC=CC(CN)CCN;KQHJSUOGEUDQSS-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86530;MM86530;C#CC=CC(CN)CCN;VWDCODJKOLWJTP-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86531;MM86531;C=C(CN)C(CC)C(C)N;NGNYDXXUSMSKLJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86532;MM86532;C=CC(CCNC)=C(C)F;CTSRFZCEHWWNIM-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86533;MM86533;CN(C=O)C(C=O)=NC=O;QBBWSWJWLMGENC-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86534;MM86534;CN(C=O)C(C#N)=NC=O;NQNNQBROHOJTQV-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86535;MM86535;NCCCCC(CN)CF;AXEIMYLUPNAOTB-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86536;MM86536;C#CCCCNCCCN;HFHVCDSQUGTESU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86537;MM86537;CCC#CC(=N)N;IFFOHQREXKTKBI-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86538;MM86538;CCN=C(NN)NC=NC;NEQFCVSQELIKTO-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86539;MM86539;C=CC(=NC=O)N(O)C=C;QLFFEZFDTCHNGK-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86540;MM86540;CCNC(=O)NN(C)CC;HWSUOUIRSOMACO-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86541;MM86541;CC(C)(OC=NN)C(=N)N;VVNOTBUTARQTNA-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86542;MM86542;C=CN(O)C(C=O)=NC=N;WFTNUYXHDZQOAO-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86543;MM86543;C=CN(O)C(C#N)=NC=N;GBWGLQDNQBTYSL-UHFFFAOYSA-N;138.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86544;MM86544;C=CN(O)C(C#N)=NC=O;GMPSDKWRCKFWIU-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86545;MM86545;C=CC(C)(O)C(C#N)=CN;JCAGYLQSVQTJFJ-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86546;MM86546;CON(C(=N)N)C(C)C;ILJHMXJGQWTLDH-UHFFFAOYSA-N;131.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86547;MM86547;CCON(CC)C(=N)N;UTEKQWWATURERQ-UHFFFAOYSA-N;131.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86548;MM86548;CC(CN)C(C)(C)N;IFPDWCHTHGPOKN-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86549;MM86549;CN(N)C(=N)C(=N)N;MXZNUZIMGUCHAM-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86550;MM86550;C=CC(CN)CCN;IJOCAFYJTXCYHQ-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86551;MM86551;C=NN=C(C=O)N(C)C=O;NEMMSWQIKVABOI-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86552;MM86552;C=NN=C(C#N)N(C)C=O;QQOUSCRXHUEYAF-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86553;MM86553;CNCC(C)(C)CNC;JXRIGNBVDJINOQ-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86554;MM86554;CC(C)ON(C)C(=N)N;RSJVJTVQMOAKKG-UHFFFAOYSA-N;131.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86555;MM86555;C=CN(O)C(C=O)=NN=C;VWHVYTRUPMZYCK-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86556;MM86556;C=CN(O)C(C#N)=NN=C;XWDVKRVSNAHTPS-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86557;MM86557;N#CC(=O)ONC=CC=N;ZTSZLOHNWUXBOU-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86558;MM86558;N=C(N)C#CCCCF;RMGHJUGOMJFQQS-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86559;MM86559;CC(C)C(N)C(C)CF;ONPZXACLPIHQMT-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86560;MM86560;N=CNNC(=N)C(=N)N;GDRPWYUJTANOMH-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86561;MM86561;C#CCC(CN)CCN;JCCWGOXMQPKKDW-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86562;MM86562;C=CC(CCN)CCN;WKFVLDUIWUCKIG-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86563;MM86563;C=CC(C=CF)CNC;VTOMXQFIDMEXTF-UHFFFAOYSA-N;129.18;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86564;MM86564;C#CC=C(C#N)C(O)C#N;IPHIHWZLLHELMO-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86565;MM86565;C=CC(CN)C(C)CN;GGBIEGSADORIOJ-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86566;MM86566;C#CC=C(C=O)N(C)C=O;DMMMCKHVDXAWJL-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86567;MM86567;C#CC=C(C#N)N(C)C=O;ZULIPAQDEHFIOE-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86568;MM86568;C=CC(CN)CCCN;PWLZXAMGRLVUBD-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86569;MM86569;C#CC(O)C(C=O)=CCF;YXSVDUHODYUDCS-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86570;MM86570;C#CC(F)C(C#N)=CCO;HEIPKFVAUYLMEP-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86571;MM86571;C#CC(O)C(C#N)=COC;KQSOANMDEFLITD-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86572;MM86572;CNN=C(CC(C)=O)OC;LMNWXQBPHIAAJV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86573;MM86573;CNN=CC(N)C(=N)N;CKZNBDLYPWKPHD-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86574;MM86574;C#CC(O)C(C=O)=NNC;VVJJOPGGPVTZJB-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86575;MM86575;C#CC(O)C(C#N)=NNC;RJPGPHQTNSIXIS-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86576;MM86576;C#CC(C)=C(C=NO)CN;YWVCUNVFRCPQNT-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86577;MM86577;CC(N)CC(C)(N)CCF;OLMNIEIJSPEJLR-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86578;MM86578;C#CC(O)C(C=O)=NOC;DBETZMMRAYAFSI-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86579;MM86579;C#CC(O)C(C#N)=NOC;HBHCHXCXRXMLOX-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15916;MM15916;C#CC(F)C(C=O)=NOC;ZGFJWALUKOCWEN-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86580;MM86580;C#CC(O)C(C=O)=CC=O;XKYIMCDWQBZPEP-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86581;MM86581;C#CC(O)C(C#N)=CC=O;REOVSWXIWARDCN-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86582;MM86582;C#CC(O)C(C=O)=CC#N;VIFIUYWWGBTFLV-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86583;MM86583;C#CC(O)C(C#N)=CC#N;LDMYZYSTCPMFCO-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15420;MM15420;C#CC(F)C(C#N)=CC#N;DWFYEZBZRLPAMH-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86584;MM86584;C#CC(O)C(C=O)=NN=C;HDLFOAJIVDNWHJ-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86585;MM86585;C#CC(O)C(C#N)=NN=C;DUHLDWMOHJMREI-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86586;MM86586;C#CC=C(C#N)C(O)C#C;GUJHDOSWAQTGSZ-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86587;MM86587;C#CCC(=N)NCC=NO;UDQHWZLQOQCUHV-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86588;MM86588;C=C(F)CC(C)(N)CCF;OUBQWTAJTZAADS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86589;MM86589;C=C(C)C(C)(N)CCCN;XGWUTDRYRMKLEB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86590;MM86590;C#CC(=COC)C(F)CO;RKOBMCQTWQJTIR-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86591;MM86591;CC(N)CC=COC=NO;PQFBESAXLHROQL-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86592;MM86592;CNCCCC=NNC=O;DBLVUFLYOSZAJF-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86593;MM86593;C#CC=NNC(C#N)C=O;FVVZUEKNIHOTLP-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86594;MM86594;CON=CC(C)(O)C(=N)N;NELHHCLYTLQVEI-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86595;MM86595;CC=NN=CC(O)C(=N)N;MVZDTXFAZKKIOA-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86596;MM86596;CC(CF)(CCN)CCN;JMCNFIQUMSXALX-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86597;MM86597;C#CC(=NOC)C(O)CF;KTBFGVCSZJGGFD-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86598;MM86598;C=CNC(=N)N(O)C(=C)C;YPDBMSPBKCUWMH-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86599;MM86599;CC(=CC(C)C(C)N)CN;FYWQASGNYJVVCQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86600;MM86600;N=CNC(=CCO)CO;GMEPKFUYYRZXCJ-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86601;MM86601;C=C(CCN)CC(C)CN;FRKVSKKVPKCZBH-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86602;MM86602;C=C(CO)OC(N)=CC#N;GICGLRLFHUTGJN-UHFFFAOYSA-N;140.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86603;MM86603;C#CC=NOC(C=O)CO;HECPJVLMNCTSIP-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86604;MM86604;CC=C(CNC)CC(C)N;XOUKTJKXQNCGHH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86605;MM86605;C#CC(=CC#N)C(O)CO;WWUHQNFJSMCHTR-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86606;MM86606;C#CC(=CC=O)C(O)CF;BCGWXGOLAABHNY-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86607;MM86607;C#CC(=CC=O)C(F)CO;GYBKNEDZXYNVPG-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86608;MM86608;C#CC(=NN=C)C(O)CO;IIJGGHDWLGCJPC-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86609;MM86609;C=C(CCN)CCCCN;LMLHYJYUELEFNA-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86610;MM86610;C=CNC(=N)CNN=CC;VXBRLWHSKARBHK-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86611;MM86611;CC(NC=N)C(=N)N(C)N;AWQRLHBGKGHXND-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86612;MM86612;C#CC(=NC=O)N(O)CC;MPBFNUBJULBQEJ-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86613;MM86613;NCCC(C=CF)CCN;LTURKRVIDNCWIY-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86614;MM86614;C#CC(=NC=O)N(C)OC;QDLAXFJJIOILQJ-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86615;MM86615;CNCC(C=CF)C=CF;XZNBVTNNRNZFEN-UHFFFAOYSA-N;147.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86616;MM86616;C#CC=C(C#C)C(O)CO;CBYGAYDIRVNXIZ-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86617;MM86617;C#CC(=CCO)C(C)C=O;GPABUUOJHNUXJL-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86618;MM86618;C=C(NC(=N)NO)C(C)C;FBRWSVSKKADJKI-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86619;MM86619;C=C(C)C(C)NC(=N)NO;JDCVKJDDDZGDBC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86620;MM86620;C#CC(=CCO)C(O)C=C;UPOYKOQYRHBXBF-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86621;MM86621;C#CC(=CCF)C(O)C=O;YWXMJWSLYOWCPR-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86622;MM86622;C#CC(=COC)C(O)C#N;WGWBRXFJDFUNRH-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86623;MM86623;CNC(=O)N(N)C=NC=O;CRXPGRXDBRSLAM-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86624;MM86624;C=CC#CC(=NOC)NO;PLWDZPRBTVBUHK-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86625;MM86625;C=CC(CC)NC(=N)NO;BBUDRQMXQLRESV-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86626;MM86626;C#CC(=NNC)C(O)C=O;LKPUNYUJWUFLEY-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86627;MM86627;C#CC(=NNC)C(O)C#N;ZOFXFJBXMYZDFX-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86628;MM86628;C=C(C)C(=CCO)NC=N;NEIPSENFMHWXOK-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86629;MM86629;C=COCC(=N)NCCO;JIFGHMSGIZKKBB-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86630;MM86630;C#CC(=NOC)C(O)C#N;MOEXYUHSCZGSEJ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86631;MM86631;CC(C)C(CC=O)N=CN;AUNCKCUHYHUNQS-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86632;MM86632;C#CC(=CCO)N(C)C=O;YKBIYENSWGXRPV-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86633;MM86633;C=C(C)C(CCN)CCN;VOAPJXLJXIGISB-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86634;MM86634;CC(F)CC(=N)NCC=O;VDEIFMYALATPDA-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86635;MM86635;C=C(F)C(CCN)CCN;ARWIVQOXUGAROI-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86636;MM86636;C#CC(=COC)N(C)C=O;GPETYRLCNDUEBS-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86637;MM86637;CC(C=CC(C)CN)CN;FMKIVGGJQANROM-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86638;MM86638;CC(CN)CC(CN)CF;HURHGXAYTPYJRS-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86639;MM86639;C=CN(C=C)C(=N)NOC;JEACRXLZGRRGEV-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86640;MM86640;C#CC(=COC)N(O)C=O;FAGWWDHKTXVNHP-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86641;MM86641;C=CC(CN)CNC(C)C;LLAIQJOXCDYQSH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86642;MM86642;CNCCC(C)C#CCN;IHIRTBBIMNRDKR-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86643;MM86643;CC=CNC(=N)NOC;KDLYIKQXXIWQQR-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86644;MM86644;CC(C)(C=O)ONC(=N)N;RADZBDUJXDKWSN-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86645;MM86645;C#CC=NOCOCCO;JGCSIXBWQDHLDT-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86646;MM86646;CC(C)=NN=CNO;OFTKOUINJHYNCH-UHFFFAOYSA-N;115.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86647;MM86647;C=C(NC=N)C(F)C#N;JATKMCVKNRWFDZ-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86648;MM86648;C=C(CNC=NC)C(C)=O;DVZFRIGTOCGWKF-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86649;MM86649;C=CNC(=N)C=C(N)C#N;DRUVGWFJEMKVJX-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86650;MM86650;CC(=NO)C(C)N;LISJCGQKFOJTGZ-UHFFFAOYSA-N;102.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86651;MM86651;C=C(CCCN)C(C)CN;OTMDLBGEIRUVDU-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86652;MM86652;C#CC(=NOC)N(C)C=O;LGTJJJNQYKVBGE-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86653;MM86653;CC=CC(CN)C(C)CN;IPYMTSSWQGBDLK-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86654;MM86654;C=CC(CNC)C(C)=CF;QJIOIMBVKVFANV-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86655;MM86655;C=C(NC=N)C(C)(O)C#N;HEWUTBVWJKRQHM-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86656;MM86656;C=NN=CC(C)(O)C(=N)N;HQJFNHZNDJXAFJ-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86657;MM86657;C#CCCC(CCN)NC;GQLMSNGIUWWRPQ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86658;MM86658;C#CC(=CC=O)C(O)C=O;QICPHHMJIXZXAZ-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86659;MM86659;C#CC(=CC=O)C(O)C#N;KNAGETWHRGBHSO-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86660;MM86660;C#CC(=CC#N)C(O)C#N;IZPKFSLHFKVYSS-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86661;MM86661;C#CC(=NN=C)C(O)C#N;TWFSBBHINUXQPT-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86662;MM86662;C#CC(CCN)CCCN;FMXRBYGZIAEQKT-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86663;MM86663;NCCCC(C=CF)CN;IAUWUYAVGLQLOL-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86664;MM86664;C#CC(=CC#N)N(C)C=O;CLFSVMDQVKOLMT-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86665;MM86665;C#CC(=CC#N)N(O)C=O;AEAQLEZJQPSFPJ-UHFFFAOYSA-N;136.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86666;MM86666;C=C(C)C(CN)C(C)CN;BEKITOFRKVYESX-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86667;MM86667;C=C(C)C(CN)CCCN;FYROZLHCRRYBOB-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86668;MM86668;C=CC(CN)C(C)CCN;VRPQTUGWWFVTEN-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86669;MM86669;C#CC(=NC=O)N(C)C=O;DMGQMIRSMFYNMI-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86670;MM86670;C=CC(CN)C(C)NCC;QAVBOWOKNKMNOT-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86671;MM86671;CC(C)(N)CC(F)F;ZHAGFDCJSHNKQN-UHFFFAOYSA-N;123.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86672;MM86672;C=CC(F)=CC(=N)N;VGEVCEPUTUXCLF-UHFFFAOYSA-N;114.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86673;MM86673;CC(CCN)CCN;FJSUFIIJYXMJQO-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86674;MM86674;CCNCC(C)CN;IRXCTWZYBZIMQH-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86675;MM86675;C=CC(C=C)CNC;VUWYINJJQDVADW-UHFFFAOYSA-N;111.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86676;MM86676;C=CC(C)(C)NC(=N)NO;FSQFELOSFWRGAT-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86677;MM86677;C#CC(=NC=O)N(O)C=C;MTQFOXVTSLMMFQ-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86678;MM86678;CNC(=NC(=N)N)NOC;ORTFDVWDTMRTEW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86679;MM86679;C=C(CO)CCCNC;NUQGNRXHQBLARU-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86680;MM86680;CCCNCCCN;OWKYZAGJTTTXOK-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86681;MM86681;C=C(CNC)CC(C)N;GGLICRHPYQONHC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86682;MM86682;CC(C#N)C=NN=CNO;HYQDTRJTLTUCEX-UHFFFAOYSA-N;140.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86683;MM86683;NCCC(CF)CCN;XJOVYOKYCAANAT-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86684;MM86684;C=CCC(CN)CCN;HEFBSNMAIYZKQB-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86685;MM86685;C#CC=C(C#C)C(O)C=O;ZVBGZWMJOUDYBA-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86686;MM86686;C#CC=C(C#C)C(O)C#N;BOBUXRZHIPXBBB-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86687;MM86687;CC(C)C(CN)CCN;MKILERJRIWILOO-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86688;MM86688;C#CC=C(C#C)N(C)C=O;NOBYHFBOAPMVLB-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86689;MM86689;C=CC(CNC)C(=C)C;VUUYESJTTOYQLH-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86690;MM86690;C#CC(CF)CCNC;UPKNDCQMSTVKNK-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86691;MM86691;C=CC(CCCO)CNC;WRNXNUKGQPCEOX-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86692;MM86692;C#CC=C(C#C)N(O)C=O;MXZROKVKOJAUJF-UHFFFAOYSA-N;135.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86693;MM86693;C#CC(F)C=NNCC=O;GUTNLYNIOBVSNA-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86694;MM86694;N=CNCC#CCCN;INJGNPCMKLIKSQ-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86695;MM86695;C#CC(=COC)C(O)C#C;ORDNGAVIJYOXHJ-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86696;MM86696;CC(=CC(C)N)CC(C)N;PUINOVFOHBBEPD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86697;MM86697;C#CC(=NNC)C(O)C#C;YCWWAUXELOKBFU-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86698;MM86698;C#CC(CC#N)=NN(C)C;SMZPSNSCHUBFIQ-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86699;MM86699;CN(C)N=COC=NN;GISQIQPBVMMCSN-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86700;MM86700;C#CC(=NOC)C(O)C#C;JWVJBELWZHRVJG-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86701;MM86701;C#CC(=CC=O)C(O)C#C;OSOYGBRPTWGPDK-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86702;MM86702;C#CC(=CC#N)C(O)C#C;OJKRTLXCYIQCTH-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86703;MM86703;CC(C)(C)C(=N)NCC#N;BLMGSFLHOMZYOR-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86704;MM86704;CNC=NC(C)(C)CNC;NSMNETBZUVOTTR-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86705;MM86705;C=C(CO)C(=COC)CO;NQPDBLKQLXZLBC-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86706;MM86706;CCC(=COC)C(=O)CO;IMUSPPDCSHBESR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86707;MM86707;CCCC(=O)OCC(=N)N;VYAOMVLYLVEHEK-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86708;MM86708;C=C(CN)CCCC(C)N;YPASBSJVCFXHMQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86709;MM86709;CCC=C(CO)C(=O)NO;KRWFGXUHAKWZMB-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86710;MM86710;CN=C(C#N)NN(C)C=O;XSQUOIMBRKBCHP-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86711;MM86711;CCC(=COC)C(=O)NO;SOZGNJZKGRNHOG-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86712;MM86712;CN=C(C)NNCC(C)C;NVNZKSHAZSXBAC-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86713;MM86713;CCC(=CNC)C(=O)OC;RZIQAQQUCPUYHW-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86714;MM86714;COC=C(CO)C(=O)OC;BZDWNGYJVUTBKY-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86715;MM86715;C=C(CO)C(=CCO)OC;QVPYGCAJHQMWRN-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86716;MM86716;CCC(=O)C(=CCO)OC;YXAKXJZHLPLSRW-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86717;MM86717;COC(=CCF)C(=O)CO;CBXWSCRLHRKCOR-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86718;MM86718;C#CCC(F)CC(=N)NN;QTEOKZCWYJEMRE-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86719;MM86719;C=C(CO)C(=COC)OC;CTGIRLIFUSEWPH-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86720;MM86720;CON=C(C)C#CCO;BOTUVBSZGHXMTK-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86721;MM86721;C=C(C)CC(CN)CCN;VVKSSFHJLFUKOW-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86722;MM86722;C=C(CCO)C(C)CNC;PRBXHEYZFCJAKD-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86723;MM86723;CNC=C(OC)C(=O)NO;RUQSJQYHULTMKX-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86724;MM86724;C=C(F)CC(CN)CCN;VTSSHLFZSGTOCM-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86725;MM86725;N=C(N)C#CCC=CCN;JJPTUWLKKFHTDA-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86726;MM86726;C=C(CCO)CCCNC;VCZWYLVRDAKSBS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86727;MM86727;CNC(=O)C(=COC)OC;FUFFIDOSLJSJHY-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86728;MM86728;NCCC(CCN)CCF;RDTPYJZSEOVXGZ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86729;MM86729;C=C(OC)C(=CCO)OC;MVTNMBASCWEZMZ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86730;MM86730;CNC=C(OC)C(=O)OC;URLLZNCWZGFWHC-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86731;MM86731;C=CCC(CCN)CCN;GJJJDBSWZAXRGF-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86732;MM86732;CC(C)C(CCN)CCN;SXHATKFSLSHFDD-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86733;MM86733;C=C(CCCNC)C(C)O;YGBYVPVCNIQDIS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86734;MM86734;CNN=C(CO)C(=O)CF;OHTAKMLBLDYQIP-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86735;MM86735;CCC(=O)C(CO)=NOC;VMSGJIUWQBXKJK-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86736;MM86736;N#CC(=CN)C(F)CO;QAFQZWRSIJICGC-UHFFFAOYSA-N;130.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86737;MM86737;CNC(=NN)N(C)N;MZUMFCWEWUSBBW-UHFFFAOYSA-N;117.16;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86738;MM86738;CC=CN(N)C(=NN)NC;HDYONJIUJDVFNR-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86739;MM86739;CNN=C(NC)NN;MKLKOOFMULOAJN-UHFFFAOYSA-N;117.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86740;MM86740;C=NNC(=CC(=N)N)OC;VWWCOGRCXZWYRI-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86741;MM86741;COC(=NC=O)NC(=N)N;HOGRFJZEVCNRAU-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86742;MM86742;C=CN(OCCC)C(=N)N;UQQOMOWYDZJIOE-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86743;MM86743;CNN=C(CO)C(=O)NC;IRHITSXPMDZOGZ-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86744;MM86744;CNN=C(CO)C(=O)NN;IGPMGAZKJXAPGZ-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86745;MM86745;CNN=C(CO)C(=O)NO;BTWMFXOFKOHECC-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86746;MM86746;CNCCCC=NNC=N;ICXVYEFFLNJPHC-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86747;MM86747;C#CCC(CNC)C(C)N;MGLUAMLDISEFJT-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86748;MM86748;CNC(=O)C(CO)=NOC;YIIHEQOOKJWHPQ-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86749;MM86749;CONC(=N)N;DNVXFQJJANXZMH-UHFFFAOYSA-N;89.1;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86750;MM86750;C=CCC(C)ONC(=N)N;DASQHCGXKDOMJR-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86751;MM86751;CNN=C(OC)C(=O)CF;NZXHDQUYUNPRIZ-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86752;MM86752;C=CC(C=C)(OC)C(=N)N;OGXSVQIUNWKCFY-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86753;MM86753;C#CC(C=NO)CCNC;PUMPSYUWUGVRRP-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86754;MM86754;CC(O)(C=NN)C(=N)N;NHMOTHMMQPFTBY-UHFFFAOYSA-N;130.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86755;MM86755;CCC(=CC(=N)NN)CF;QPEUIGRZKXSJHI-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86756;MM86756;CNN=CC(C)(O)C(=N)N;HLXCWYFLOCHDNF-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86757;MM86757;N=CNN=CC(O)C(=N)N;ZAOGHFHTQWRVAM-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86758;MM86758;CNC(=NC(=N)N)N(C)O;AMZMBDDQYJTMRH-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86759;MM86759;C=CC(=NC)NNC(C)=N;GFQOQJUEICWSHN-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86760;MM86760;C=C(CO)C(=CC=O)CF;DSTAZSJENLOVSW-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86761;MM86761;N#CC=C(CO)C(=O)CO;OJVCDKHTCOQVNX-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86762;MM86762;C#CC=NOCC(F)CO;DNEBWVVONBHBID-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86763;MM86763;CCC(C)(O)CC(=N)NN;FAANLUOAPUMCTN-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86764;MM86764;CC=C(C)C(CO)NC=N;RBPQQYBQYKULET-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86765;MM86765;NCCCC(F)CCCN;KPQHZRGLAWXDQX-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86766;MM86766;C=C(CCCN)CCCN;YECLFEGDAOFCCH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86767;MM86767;CNC(=O)C(=CC#N)CO;BLSKMIJBEXQVGL-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86768;MM86768;C=C(OC)C(=CC#N)CO;RVKLSLSZQBIWRM-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86769;MM86769;COC(=O)C(=CC#N)CO;BWVKFZFSQIICDK-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86770;MM86770;CNC(=CC=O)C(=O)CO;SJWOJBDBDCDEPI-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86771;MM86771;CNC(=CC#N)C(=O)CF;VHSLJEXAWHTMPJ-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86772;MM86772;CNC(C)C(CN)CCF;YCDJJBAZEQEBMM-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86773;MM86773;CNCC(C)C=CCO;IIGFPMKPKUXBSQ-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86774;MM86774;CNC(=CC#N)C(=O)NO;DIZLLWJCPBKFQF-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86775;MM86775;CNC(=CC=O)C(=O)OC;SUZWUERVCFXOKV-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86776;MM86776;CNC(=CC#N)C(=O)OC;VNHLCEOHEWSDLE-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86777;MM86777;COC(=CC#N)C(=O)CO;XLIXOEIKHJIGJE-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86778;MM86778;C#CCC(CN)C(C)CN;RBAIEOUXXUQLAD-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86779;MM86779;C=CC(C)C(CN)CCN;LWNXYEWEWOYPHA-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86780;MM86780;CNC(=N)C#CC(C)CO;VJIQWEXWICYDIB-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86781;MM86781;CNC(=O)C(=CC#N)OC;LBEGEHOOPDRZHX-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86782;MM86782;CC(N=CN)C(C)C(N)=O;BMEDMIZGUSPEAX-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86783;MM86783;COC(=CC#N)C(=O)NO;RPZKDQOEIOXTPS-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86784;MM86784;COC(=O)C(=CC=O)OC;VYSUFTKMRCAKIR-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86785;MM86785;COC(=O)C(=CC#N)OC;JOSKZVKDRLURGL-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86786;MM86786;C=NN=C(CC)C(=O)NO;MLLJBKGGFRCWMZ-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86787;MM86787;C=NNC(=NO)C(=C)OC;GLDIVQJGBIJKSL-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86788;MM86788;C=CC(CCN)C(C)CN;LUPXLMAWQSWBID-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86789;MM86789;C#CCNC(=NC=N)NC;XZJMPJAJDDOPNZ-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86790;MM86790;C=C(CO)OC=NN;ZVGNVNULZWDKRF-UHFFFAOYSA-N;116.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86791;MM86791;C#CC=C(CO)C(=C)CO;NTCNPYCNWURTOG-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86792;MM86792;C#CC=C(CF)C(=O)CO;BBJKSTWXHYQFJV-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86793;MM86793;CNNC(=NN)NC;MKLKOOFMULOAJN-UHFFFAOYSA-N;117.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86794;MM86794;C#CC=C(CO)C(=O)NC;HCIYXGKKXGBISQ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86795;MM86795;C#CC=C(CO)C(=O)NO;YYDZTVYOSWGJSG-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86796;MM86796;NCCCC(CF)CCN;AHELEHYCMCGPFA-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86797;MM86797;C#CC=C(OC)C(=O)CO;XSEQUZSZPSRRMB-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86798;MM86798;CNC(CCN)CCCF;VQJLRESGDWKTIA-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86799;MM86799;C=C(CO)OC=NNCC;IRKUVQSWRXHGTO-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86800;MM86800;C#CC=C(OC)C(=O)NC;KOMCQOJZIQGKIA-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86801;MM86801;C=CNC(=N)NOCCC;NXTXPVSAKGVRDF-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86802;MM86802;C#CC=C(OC)C(=O)NO;MHAYIPDCOJLHTE-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86803;MM86803;C#CC=C(OC)C(=O)OC;PHSJCKPPASYBGS-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86804;MM86804;CCNCC(CN)CCF;CBQPBGXBTODURV-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86805;MM86805;CC=CN(OCC)C(=N)N;QGVHDLNJHQHOPD-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86806;MM86806;C=CN(OC)C(=N)N;OQCJJZSBJUORLB-UHFFFAOYSA-N;115.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86807;MM86807;C=CC(=O)C(=CCF)CO;FKVZZGQYIPUUIM-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86808;MM86808;N#CC(=O)C(=CCF)CO;WTCTZYRBKWFTJG-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86809;MM86809;C=C(C=O)C(=COC)CO;VSCUYOIKZCHZQR-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86810;MM86810;C=CC(=O)C(=COC)CO;ZASGFCFNCMADRP-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86811;MM86811;COC=C(CO)C(=O)C#N;NAHWMPYBVLROFB-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86812;MM86812;COC(=CCO)C(=O)C#N;QCICNIABSMKCIH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86813;MM86813;CNC=C(OC)C(=O)C=O;VMZLWLDNLXUDTR-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86814;MM86814;CNC=C(OC)C(=O)C#N;UAMUXSJVIIABIP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86815;MM86815;COC=C(OC)C(=O)C=O;HSJGJKSRVHKLAJ-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86816;MM86816;COC=C(OC)C(=O)C#N;FGHJIABVWITBCY-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86817;MM86817;C=CC(CCN)CCCN;WRIDQDIEIYRYOE-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86818;MM86818;C=NOCOC(C#N)C#N;DWAIAPORGMAGRG-UHFFFAOYSA-N;139.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86819;MM86819;C#CCOC(=NOC)NO;XAQDPNFHZLYXAR-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86820;MM86820;CNN=C(CO)C(=O)C=O;WETDQFXMSWBEMS-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86821;MM86821;CNN=C(CO)C(=O)C#N;MGFBVAHBPCMKPY-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86822;MM86822;CNN=C(CF)C(=O)C#N;OPJNVVTWEYJIHE-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86823;MM86823;CON=C(CF)C(=O)C#N;WKBKAVQAVZSPBV-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86824;MM86824;CC(=O)C(C)=CCN=CN;AAMODDVKVYEYSO-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86825;MM86825;CNC(=O)N(C=N)C=NN;VZIMAUXOPRNVAX-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86826;MM86826;CNN=C(OC)C(=O)C#N;SWVDXMFUIPITBU-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86827;MM86827;C=C(C#N)C(=CC=O)CO;FSODZPKXEWXDHP-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86828;MM86828;C=CC(=O)C(=CC#N)CO;HSWSESRDBXGEOQ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86829;MM86829;N#CC=C(CO)C(=O)C=O;RQJJQHDEOCSWEW-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86830;MM86830;N#CC(=O)C(=CC=O)CO;LHFYKXDGOHPCAW-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86831;MM86831;N#CC=C(CO)C(=O)C#N;AJXLEXBLXSVNBX-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86832;MM86832;CNC(=CC=O)C(=O)C#N;XTIKXSAFOBNWTP-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86833;MM86833;CNC(=CC#N)C(=O)C#N;IOILFZDBVKVJMZ-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86834;MM86834;COC(=CC#N)C(=O)C=O;UHJOKGMWXCZYHM-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86835;MM86835;COC(=CC=O)C(=O)C#N;HFFPOWTWZVOCEX-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86836;MM86836;COC(=CC#N)C(=O)C#N;YZPSAXNLXKTJSN-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86837;MM86837;C#CC(CCF)CCNC;YBGFSYVMMHTSPA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86838;MM86838;C=NN=C(OC)C(=O)C#N;UVLMENPHYMUIMO-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86839;MM86839;C#CC=C(CO)C(=O)C=O;OHQRJBKHXDCZFF-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86840;MM86840;C#CC=C(CO)C(=O)C#N;BQGBGSYAXWFOGL-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86841;MM86841;C#CC=C(OC)C(=O)C#N;XWAOTUHSJIYKSW-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86842;MM86842;C#CC(=C)C(=CCO)CO;QICMNBMGJXYGPQ-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86843;MM86843;C#CC(=O)C(=COC)CO;DJUBQQFDBPIHJW-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86844;MM86844;C#CC(=O)C(=CCO)OC;WUFAGMQDIYQEOE-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86845;MM86845;C#CC(=O)C(=CNC)OC;KMAYFDIKSFWIFT-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86846;MM86846;C#CC(=O)C(=COC)OC;GNZVVJWKKUCBTO-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86847;MM86847;CC#CC(=N)N(C)C(=N)N;RPQZAEFDDYCOFG-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86848;MM86848;C=CC(=NNC)C(N)=O;CPTAOXSSERGZNS-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86849;MM86849;C#CC(=O)C(CO)=NNC;AIRDNUUDVPYERF-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86850;MM86850;C#CC(F)(C#N)CNC=N;XEAHGYVEXNOLNK-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86851;MM86851;C#CC(=O)C(CF)=NOC;VIZDEGROKWXDBF-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86852;MM86852;CCONC(=N)N;CBMRZJUMXRMBBQ-UHFFFAOYSA-N;103.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86853;MM86853;CNN=CC(C)(C)NC=N;MRYIZHYLYZHADN-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86854;MM86854;C#CC(=O)C(=CC#N)CO;WJELYRNQICIGND-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86855;MM86855;C#CC(=O)C(=CC#N)NC;QWPVPMXDSIFDKP-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86856;MM86856;C#CC(=O)C(=CC=O)OC;HIBFKYWGGXXHOH-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86857;MM86857;C#CC(=O)C(=CC#N)OC;KVHDDJBTOOURTM-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86858;MM86858;C#CC(=O)C(CO)=NN=C;OJBQQVCCIVHALZ-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86859;MM86859;C#CC(=O)C(=NN=C)OC;WGAKOUSEJKQPFI-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86860;MM86860;C#CC=C(CO)C(=O)C#C;BUPNZTWMPNSCPJ-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86861;MM86861;C#CC=C(OC)C(=O)C#C;SQZAPDKHPYIJQN-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86862;MM86862;C#CC(CC#N)CCNC;KFPHSJCCFSBDEW-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86863;MM86863;CCC=C(C#N)C(=O)CO;UGRZXGVVMRWDRB-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86864;MM86864;N#CC(=CCO)C(=O)CF;SIUCTGCAEAPBLM-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86865;MM86865;C=C(CO)C(C#N)=COC;AUXRZFPTESNXKG-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86866;MM86866;C=CC(=COC)C(=O)CO;LQHMPJQURJSIKO-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86867;MM86867;CC(=CC=NO)N(C)C=N;PYRDCMHOGZAREG-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86868;MM86868;C#CC#CC(CCO)=NN;RHCHRQHZEPEKLK-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86869;MM86869;COC(C)=NN(C)CC=O;GBMZGCJYPVHWQU-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86870;MM86870;C#CCONC=NOC=O;NZIKNJJGCCETJS-UHFFFAOYSA-N;142.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86871;MM86871;C=CN(N)C=NC(=N)NO;SXIBTDWBFLKDRD-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86872;MM86872;CN=CNCC(C)(C)O;DFCOSIBVJCFQIU-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86873;MM86873;CC(C)(N)CCOCCO;DNSYJYIPSMULBS-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86874;MM86874;CNC=C(C#N)C(=O)NC;GVZDTODBFIUQSF-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86875;MM86875;CN=CNC=CC=CCO;LVJMGIOPFRKHJJ-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86876;MM86876;C#CC(N)C(C#C)C(=N)N;JRCHPLSWKCKYRX-UHFFFAOYSA-N;135.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86877;MM86877;C=C(NC(C)=N)OCC=O;XKEOIQZFVQZNOQ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86878;MM86878;C=CNC(=N)NOC;KGJOAKVEZQKBQW-UHFFFAOYSA-N;115.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86879;MM86879;C=NOC(=NN)OC=NN;IJXSCWWKPGZPBP-UHFFFAOYSA-N;145.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86880;MM86880;CNC(=O)C(C#N)=COC;PBQKKVRPSPFTMI-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86881;MM86881;COC=C(C#N)C(=O)NO;RGOYSFSDKSGURZ-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86882;MM86882;C=C(OC)C(C#N)=CCO;BKIXDWRUWVNDDB-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86883;MM86883;COC(=O)C(C#N)=CCO;QTEIIVBULFPZOU-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86884;MM86884;CNC=C(C=O)C(=O)OC;QBSTYVJKZGPQTF-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86885;MM86885;CNC=C(C#N)C(=O)OC;KGLBFLIAVJFWBM-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86886;MM86886;COC=C(C#N)C(=O)OC;AGNUFSNBWSLFIN-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86887;MM86887;CNN=C(C=O)C(=O)CF;IOXAKRBBHGAIMB-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86888;MM86888;C#CCC(=NNCC)OC;TYBAAKUWPMHUML-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86889;MM86889;CCNC(=NN)NNC;VPNMDCONPRLFHS-UHFFFAOYSA-N;131.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86890;MM86890;CCCNC(=NN)NNC;LPAJOQSCFRFOFG-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86891;MM86891;CC(C)C(=O)CN(C)C=N;SGYYVOBWVJCFEM-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86892;MM86892;CN=C(NC)NOC;MLGXIPZSHRTEAB-UHFFFAOYSA-N;117.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86893;MM86893;CCC(C)ONC(=N)N;WQRLKLQDLSPYDA-UHFFFAOYSA-N;131.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86894;MM86894;C=CC(=NNC)C(=O)NO;ZAJJFMYRFLZJJA-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86895;MM86895;CNN=C(C=O)C(=O)NC;YMLISAAOWFRUDO-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86896;MM86896;CNN=C(C#N)C(=O)NC;WUVQQPDSNQWQRG-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86897;MM86897;CNN=C(C=O)C(=O)NO;INJYXAQINCNJJC-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86898;MM86898;CNN=C(C#N)C(=O)NO;ZUWMDWNRTUJASN-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86899;MM86899;C#CC(CCNC)C(C)C;QUHNRDBJHOEMDD-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86900;MM86900;C#CC(N)CC=NO;VMGTUAMYDRTDEA-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86901;MM86901;C=CC(CN)CCCCN;VIGIHKYDLYVLHQ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86902;MM86902;CC(=NO)C(C)(C)N;JVMJGSVRQJSDHL-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86903;MM86903;CC(N)COC=NO;COCZZIVVZPXLKF-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86904;MM86904;CNC(=O)C(C#N)=NOC;YAWNGRIJVJUFBX-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86905;MM86905;CON=C(C#N)C(=O)NO;UMTWECTUTHGUIB-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86906;MM86906;NN=CON=CCCF;OOFRKFQBGFQXRZ-UHFFFAOYSA-N;133.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86907;MM86907;C=CC(C)(C=NO)CNC;COGXPRWFTZINAD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86908;MM86908;CON=C(NOC)OC;GPWFRBGAWYSPEO-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86909;MM86909;CNN=C(C=O)C(=O)OC;AGNJXVGPTOOUCW-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86910;MM86910;CNN=C(C#N)C(=O)OC;HCMFTGRSVOLVPZ-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86911;MM86911;NCCCCN;KIDHWZJUCRJVML-UHFFFAOYSA-N;88.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86912;MM86912;CON=C(C#N)C(=O)OC;BHCHMPZEFHJRQV-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86913;MM86913;C=C(CO)C(C=O)=CC#N;VYVQJGULEIJAOS-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86914;MM86914;C=C(CO)C(C#N)=CC#N;AJXVQNQKBBSSOK-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86915;MM86915;C=CC(=CC#N)C(=O)CO;AOZNZPGASMGFJM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86916;MM86916;N#CC(=CC=O)C(=O)CO;SWJUDENJKUVAAV-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86917;MM86917;N#CC=C(C=O)C(=O)CO;VYWVUFDXSKAHQM-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86918;MM86918;N#CC=C(C#N)C(=O)CO;TXHUNUFBPDVLRL-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15552;MM15552;N#CC=C(C#N)C(=O)CF;LMWIGRWKJYPPDB-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86919;MM86919;NCCCCCN;VHRGRCVQAFMJIZ-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86920;MM86920;C#CC=NOC(C#C)CO;NPXORHNVWXVQSG-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86921;MM86921;CC(=NOCC=O)C(C)O;FVMWHCDYXDFHAT-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86922;MM86922;CNC(C)C(C)CN;NIGYWDGXGONHOR-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86923;MM86923;N#CC(=CC=O)C(N)=NO;PALAUHUFGRYYHB-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86924;MM86924;N#CC=C(C=O)C(N)=NO;HAFSRFUWJBOVGD-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86925;MM86925;CC(=CC=NO)NC=N;GYTAHEYAMPADTL-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86926;MM86926;C=CC(=CC#N)C(=O)NO;PNSLNNYHAQWFHS-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86927;MM86927;CNC(=O)C(C=O)=CC=O;CBLYADZKLZZQGG-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86928;MM86928;CNC(=O)C(C#N)=CC#N;HPYBFPMZBHYJQJ-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86929;MM86929;N#CC=C(C#N)C(=O)NO;GRFDLQIAJZYQRA-UHFFFAOYSA-N;137.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86930;MM86930;COC(=O)C(C=O)=CC#N;JZXMARPSQFLVSK-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86931;MM86931;COC(=O)C(C#N)=CC#N;QSFBIPTURBFJLA-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86932;MM86932;C=NN=C(C=O)C(=O)CO;IEBUBNRJVOLDGF-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86933;MM86933;C=NN=C(C#N)C(=O)CO;MDVQCVFPWSIOJO-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86934;MM86934;CNCCC(C)NC;DKZBLXUAJDHZQQ-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86935;MM86935;CNC(=N)C(O)C(=N)N;SAYSZIKPCXSXRB-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86936;MM86936;C=C(CN)CCNC;OCNGCZMQQMEFPU-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86937;MM86937;C=CNC(=N)C(C)(O)C=C;ZAUVPQJXOOLEJP-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86938;MM86938;C=NN=C(C=O)C(N)=NO;AGWWHGXGHKDABV-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86939;MM86939;CCC(F)C(CO)=NN;IEDRGLZQQZSRFQ-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86940;MM86940;C=NN=C(C=O)C(=O)NC;SLZXPUFNIPUSNI-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86941;MM86941;C=NN=C(C#N)C(=O)NC;ZFXWNWIRQJGKHT-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86942;MM86942;C=NN=C(C#N)C(=O)NO;FNXCPDXXALKLRF-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86943;MM86943;C=NN=C(C#N)C(=O)OC;XQNQUWDLGQSVJW-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86944;MM86944;C#CC=C(C=O)C(=O)CO;XMOPZZKYIVJBSK-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86945;MM86945;C=C(NC=N)C(=C)NC=O;HCTUVXMBDIDMLV-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86946;MM86946;C#CC=C(C#N)C(=O)NC;RBSLPAIXSLSTAT-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86947;MM86947;C#CC=C(C#N)C(=O)NO;DITYQGHKCPGOTR-UHFFFAOYSA-N;136.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86948;MM86948;C#CC=C(C#N)C(=O)OC;PTBIFOZFGAGYNI-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86949;MM86949;C=C(C#N)C(C=O)=CCC;YFWPUTJYKXALMD-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86950;MM86950;C=CC(=CCO)C(=O)C#N;YQWDEKQMLLUVIA-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86951;MM86951;N#CC(=CCO)C(=O)C=O;QRWZYOSUTLWUOU-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86952;MM86952;N#CC(=O)C(C=O)=CCO;SAZQICKVSPBLPY-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86953;MM86953;N#CC(=O)C(C#N)=CCO;JTBBDFYLJZEETB-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86954;MM86954;C=CC(=CNC)C(=O)C#N;LCTDHVUZOCNXGD-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86955;MM86955;C=CC(=O)C(C#N)=CNC;QCTWDJFVFQUNPR-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86956;MM86956;CNC=C(C#N)C(=O)C#N;PKAGWAAJBSUIMC-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86957;MM86957;COC=C(C=O)C(=O)C#N;PRYDDVJIUZGPIM-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86958;MM86958;COC=C(C#N)C(=O)C#N;PWPDYLLBGVMWDI-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86959;MM86959;CON=C(CO)CCCF;SJUNQQYFPGUIPG-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86960;MM86960;CN(O)C(=N)N=CNC=N;RBHIHXYQRBDTTR-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86961;MM86961;C#CCC(C)NC(=N)NO;XYFDKNLSQRFMJE-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86962;MM86962;CNN=C(C=O)C(=O)C=O;AUZUMOIBGCIKNE-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86963;MM86963;CNN=C(C=O)C(=O)C#N;SSFJMOQZNJVPIC-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86964;MM86964;CNN=C(C#N)C(=O)C#N;SCGJENGILQIMMF-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86965;MM86965;CCC(CN)CCN;XGJHPGPVESLKKD-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86966;MM86966;NCCCCCCN;NAQMVNRVTILPCV-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86967;MM86967;CCNCCCNC;PVFDVUMXTHUUNU-UHFFFAOYSA-N;116.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86968;MM86968;CC(N)C=CCC(C)N;AIYBADAWTMMQKB-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86969;MM86969;C#CC(CN)CC(C)N;HJXNHYCZUTXTTD-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86970;MM86970;N#CC(C=O)=CC(=N)N;WXBOJAPMWDLCHL-UHFFFAOYSA-N;123.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86971;MM86971;CON=C(C#N)C(=O)C=O;PCLIICPOXKYHOY-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86972;MM86972;CON=C(C=O)C(=O)C#N;IRPKNMCRQWWLEP-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86973;MM86973;CON=C(C#N)C(=O)C#N;ONPGGOVOHAUWOB-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86974;MM86974;N#CC(=O)C(C=O)=CC=O;JHMCYKXYCUHEIC-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86975;MM86975;N#CC=C(C=O)C(=O)C#N;VYSWJYUDKHEVJG-UHFFFAOYSA-N;134.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86976;MM86976;N#CC(=O)C(C#N)=CC=O;GLEQTWLNVXQTFQ-UHFFFAOYSA-N;134.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15959;MM15959;N#CC=C(C#N)C(=O)C#N;STBFMXDKGUOORE-UHFFFAOYSA-N;131.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86977;MM86977;C=NN=C(C=O)C(=O)C#N;SAHWZGYHMVUSCP-UHFFFAOYSA-N;137.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86978;MM86978;C=NN=C(C#N)C(=O)C#N;HFOAYKNLPPADHK-UHFFFAOYSA-N;134.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86979;MM86979;C#CC(=O)C(C=O)=CCO;XMFTZENSORUYIN-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86980;MM86980;C#CC(=O)C(C#N)=CCO;SOIQIDHDHKLIFB-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86981;MM86981;C#CC(=O)C(C=O)=CNC;OUMQIWQXSPCPBU-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86982;MM86982;C#CC(=O)C(C=O)=COC;DPJMIHHJCNGOIT-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86983;MM86983;C#CC(=O)C(C#N)=COC;WJOWPPMEVUDSON-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86984;MM86984;CC(=O)CC=CCN=CN;UJOUXNWMWALELT-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86985;MM86985;CNC(=N)NN=C(N)N;BRKCZVOZHGHRFF-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86986;MM86986;C#CC(=O)C(C=O)=NNC;KFMMNJNJZWFWBV-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86987;MM86987;C#CC(=O)C(C#N)=NNC;IGCCFHZMCPZOQE-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86988;MM86988;C#CC(=O)C(C=O)=NOC;KSNWKXHMPNBKGI-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86989;MM86989;C#CC(=O)C(C=O)=CC#N;WWSCFVDSHBJXIJ-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86990;MM86990;C#CC(=O)C(C#N)=CC#N;PYXFMKYXCHQXBV-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86991;MM86991;C#CC(=O)C(C=O)=NN=C;RFDPCTRKXUCVNM-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86992;MM86992;C#CC(=O)C(C#N)=NN=C;PEAUUDNMMLEBOK-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86993;MM86993;C#CC=C(C#N)C(=O)C#C;VJKFYVXSTUAYKR-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86994;MM86994;CC#CC(C=O)CN=CN;YSUUADWGPASJSG-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86995;MM86995;C#CC(=CCO)C(=C)CO;SHSXLXQRHPOUFX-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86996;MM86996;CNCCC(C)=CCN;AFKYMPLNKMXLHA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86997;MM86997;CCN=CN=C(NC)NN;MNZVSGSRPWHKIA-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86998;MM86998;CN(C=CC#N)C(=N)N;AYYPKMFAQMEPKX-UHFFFAOYSA-N;124.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM86999;MM86999;C#CC(=CCO)C(=O)NC;VVZPXGAIAMZXAT-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87000;MM87000;C#CC(=O)CC(=NC)NC;BYCGFJBVYUCARY-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87001;MM87001;C#CC(=CCF)C(=O)NO;CDOAMVMDAKUOJZ-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87002;MM87002;C#CC(=N)NCCCF;FQOKVIIVNCXODR-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87003;MM87003;C=CC(=NC)NC(=N)NN;NLAXIFRJJZXLNH-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87004;MM87004;CC(CN)C(C)CCN;DSEQDRWJALUGTE-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87005;MM87005;CCNC(=N)C(=N)NN;MKILIANKZMQGLF-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87006;MM87006;C#CCON=C(NO)OC;QNQVDBZLCAMPCE-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87007;MM87007;C#CC(=COC)C(=O)NC;BOHIRFRSYXRGRE-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87008;MM87008;CNC(=CC#N)CO;ZKXTYXCOADIPPP-UHFFFAOYSA-N;112.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87009;MM87009;C#CC(=COC)C(=O)NO;UYFYAJMWQPYAPC-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87010;MM87010;NCCC(CN)CCF;RIUHHUPOJBLSGT-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87011;MM87011;C#CC(=CCO)C(=O)OC;SUFRNHDSPTUYNV-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87012;MM87012;C#CC(=CNC)C(=O)OC;ZLIPWVMWJVJCNV-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87013;MM87013;C#CC(=COC)C(=O)OC;HIURMEHJDIABFH-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87014;MM87014;C=CN(OCC)C(=N)N;UVIGULFFSIRRAD-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87015;MM87015;CNC(=N)NC=NC=NN;VREINIWJWSWIBN-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87016;MM87016;CCC(C)N=C(C=O)NO;UQEXKIFHXGUICG-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87017;MM87017;CC(F)C=NOCCO;OLHXJUODKFWTOE-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15930;MM15930;C#CC(=NOC)C(=O)CF;OMUYJBCFSRNNPF-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87018;MM87018;C=CC(CO)NC=CC#N;ICESSBKNKINPNH-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87019;MM87019;OCC=CC=NN=CNO;LXWAESJRIQXCIB-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87020;MM87020;COCC=NN=CNO;NYJQHMDLEPYIRY-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87021;MM87021;CN=CNC(=NC)N(C)N;QMZWOSLITZUTES-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87022;MM87022;C#CC(=NNC)C(=O)NN;TWQZOTABAAVFJF-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87023;MM87023;CCC(CN)C(C)NC;UCWYZYOJMSLWIJ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87024;MM87024;N#CC(=N)NN=CCCO;SGNBOAQOGXOHGE-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87025;MM87025;O=CC#CC=NNCC=O;FHZIGJQIJHAJMB-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87026;MM87026;C#CC(=NOC)C(=O)NC;RWHFYPFKMFLETG-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87027;MM87027;C#CC(=NOC)C(=O)NN;DXTCWJJRKPLTRY-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87028;MM87028;C#CC(=NOC)C(=O)NO;FTKJXTMEZYYKDA-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87029;MM87029;CC=C(CN)CCNC;CLNQETNEPQBCQP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87030;MM87030;N#CCC=NOCC=O;CAVKTNBJPGDVCU-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87031;MM87031;CC(N)CC(C)(CN)CF;MKTCYXAUSOSRDG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87032;MM87032;C#CC(C)(CN)CC(C)N;AEIYVDMJDCZRHT-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87033;MM87033;C#CC(=CC=O)C(=O)NC;VVMBBDKTXIJRFS-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87034;MM87034;C#CC(=CC#N)C(=O)NC;VHIORFZLAGULST-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87035;MM87035;C#CC(=CC#N)C(=O)NO;FZKRBMQJYDSHME-UHFFFAOYSA-N;136.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87036;MM87036;C#CC(=CC#N)C(=O)OC;WSSXZUGNKDFBIH-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87037;MM87037;C#CC(=NN=C)C(=O)CO;QPDJOIWUNNEIDS-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87038;MM87038;N#CC=CC(=N)NC(=N)N;IHNIYXWWEDZJNW-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87039;MM87039;CNN=C(C=C(C)F)OC;OQANHFYOEFWMIJ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87040;MM87040;C#CC(=NN=C)C(=O)NC;AJOSYYRHDGHCSJ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87041;MM87041;C#CC(=NN=C)C(=O)NN;KLZTXMUFZPJQLF-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87042;MM87042;C#CC(=NN=C)C(=O)NO;FALNKVRJBPLTSA-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87043;MM87043;C#CC=C(C#C)C(=O)CO;MBFUTYYYUSVWHR-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87044;MM87044;CCC(C)(CNC)CNC;OUKUGENVDQLDLV-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87045;MM87045;CCN=C(NC)NOC;VXUYBDOBHPXURP-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87046;MM87046;C#CC(=CCO)C(=O)C=O;SSEKYDOVXXQULT-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87047;MM87047;C#CC(=CNC)C(=O)C=O;GUDGMIURIHVRLA-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87048;MM87048;C#CC(=COC)C(=O)C=O;UKDURUIOHZVBCQ-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87049;MM87049;CC(C)NC(CN)C(C)C;SWSVIKNQCIPREU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87050;MM87050;CCNC(=NC)NOC;VXUYBDOBHPXURP-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87051;MM87051;C=CC(C)ONC(=N)N;VDPXWOQREGYCFG-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87052;MM87052;C=CCCNCCC(C)N;MEYUBMGAZFXMJY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87053;MM87053;C#CC(=O)C(C#C)=CCO;DORJQQPTXGQMHE-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87054;MM87054;C#CC(=O)C(C#C)=CNC;XXGDPBUXEQCGFY-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87055;MM87055;C#CC(=O)C(C#C)=COC;ONMVIQZCFAQACE-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87056;MM87056;C#CCC(=N)NCCOC;VNMKMBHJPAFRLU-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87057;MM87057;CNCC(C)OC(C)=NO;QSAMYFSSQDQVRB-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87058;MM87058;C#CC(=O)C(C#C)=CC=O;OXGBGBRPBYCJNC-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87059;MM87059;C#CC(=O)C(C#C)=CC#N;DRMPKPRCMZCJPA-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87060;MM87060;CNCC=CC(C)C(C)N;UKVKWPIEOPWVAS-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87061;MM87061;CC=CC(CNC)CNC;ALXXQKSOBIDZRW-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87062;MM87062;CNCCCOC(C)=NO;JIPVZCAJTPFBOC-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87063;MM87063;CNN=C(CC(C)F)OC;UHBVZPFBTCMUMV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87064;MM87064;COC=C(OC)C(C)=NO;ANCZBWYXKOTJCQ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87065;MM87065;CNC(=N)CN(O)C=NO;OGMMRJCNKCLEOE-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87066;MM87066;CNCC(C=CF)CNC;GAOPSLLAGORNKU-UHFFFAOYSA-N;146.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87067;MM87067;COCC(=CCF)NC=N;PJPQQDMIXCHGBY-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87068;MM87068;CC(=CC#CCO)NC=N;VTCYLYNBVIXKER-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87069;MM87069;CNN=COC=NN(C)C;RIGXDQRFCQSSOB-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87070;MM87070;CC=CC(C)NC(=N)CO;GILQLJXOMYXIIJ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87071;MM87071;CNC(C)CCC(F)CO;MGBPWIJFBQBYOA-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87072;MM87072;CNN=C(OC)C(C)=NO;SZEUFRIWODBWHJ-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87073;MM87073;CON=C(OC)C(C)=NO;CXPFALQJAPKJQM-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87074;MM87074;CNC(=CC#N)C(C)=NO;LJKRZQRWEZUFOM-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87075;MM87075;CC(=NN)OCCF;RAFLNKVYXURKSE-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87076;MM87076;C=NN=C(CO)C(C)=NO;LVRXEXSRRUOXLL-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87077;MM87077;CC(CF)C(=N)NCC=O;HTZKCDOVAABBSV-UHFFFAOYSA-N;146.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87078;MM87078;CN(C)C(=N)C#CCC=O;FFCMGDSYSDPVFN-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87079;MM87079;C=CC(CN)CC(C)CN;BOBJUCFUXCIOQR-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87080;MM87080;C=CNC(=N)NOCC;AVBRFRSADWLZPX-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87081;MM87081;C=C(OC)C(=N)NNCC;MWGNWVHJQDHBKA-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87082;MM87082;C=CC=CN(N)C(=N)C=C;BTXQLTMYFSXNJX-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87083;MM87083;CON=CCF;OXROAESROLIBLI-UHFFFAOYSA-N;91.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87084;MM87084;C=NNC=C(C=O)C(C)=N;MCMWDYBPAFJRSP-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87085;MM87085;CC(=NO)C(C#N)=CC=O;YRNDRFRSDMBVSW-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87086;MM87086;CNCCC(C)=C(C)CN;KZACNGSEFIUAQF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87087;MM87087;CC(CN)C(CN)CCF;ZNQMBFMQBYRHEF-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87088;MM87088;C#CC(=NNC)C(C)=NO;QKGXMTHCTMFDGN-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87089;MM87089;C#CC(=NOC)C(C)=NO;JHPPYZVECDVGLW-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87090;MM87090;C#CC(=CC=O)C(C)=NO;DDZUYYBGARIEDF-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87091;MM87091;CCCC(CN)C(C)NC;MEUZHKFWQKVWAR-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87092;MM87092;C=CCC(CN)C(C)CN;DYXUSJGWCSPSMB-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87093;MM87093;C=CC(NC=N)C(=C)C=O;FAEWQXYQVQNJFP-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87094;MM87094;NCCC(CN)CCCF;JXPFDNCEVAUCOI-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87095;MM87095;NCCCC(CN)CCF;ZJDGYPWWWQZYMX-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87096;MM87096;C=CCCC(CN)CCN;KMNRZGAKZCDCFH-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87097;MM87097;C=CC=C(CN)CCNC;KXEFVJRAXLHLNW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87098;MM87098;CNNC(=NN)NC(C)C;NMXLOXPPKIUXLM-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87099;MM87099;CC(C)C(CN)C(C)CN;JTNBHZGAYSXBLN-UHFFFAOYSA-N;144.26;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87100;MM87100;OCCC(CF)=C(F)CO;BHICDKPTZBVFRO-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87101;MM87101;CCC(C)C(NC)C(C)N;AAIHNZBTFZKYHL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87102;MM87102;C=CC(C(C)N)C(C)NC;PWFODCNLRYGUQZ-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87103;MM87103;CCCN=CNC(=N)NN;SCXJRNUBXFWHSK-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87104;MM87104;C=CC(CNCC)C(C)N;AMMDFUUCZLSWMB-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87105;MM87105;C#CC(CON=C)C(=N)N;RJPZEVFDUWLEFW-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87106;MM87106;C=NN=CC(OC)C(=N)N;ODTUSYMTMDIZGL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87107;MM87107;CNCCC(CN)=C(C)C;AOHJDTDQVWJDLA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87108;MM87108;COCC(CO)=C(F)CO;FLMIPKLXKPEUAC-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87109;MM87109;CNCCC=COCCN;LJDNRBGPDJEOGJ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87110;MM87110;CNC;ROSDSFDQCJNGOL-UHFFFAOYSA-N;45.09;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87111;MM87111;COCC(CO)=C(C)OC;SJTVGDMOCPAANK-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87112;MM87112;CCC(N)C(C)C;JYNQKCFJPQEXSL-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87113;MM87113;CC(N)CC(C)(C)N;PCXAQLMRLMZKRL-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87114;MM87114;COCC(OC)=C(F)CO;KXOBBWSVNQKWIV-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87115;MM87115;CNCC(C)C(C)N;VMZWEPKPUAKURR-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87116;MM87116;CCOC(CO)=C(C)CO;RBQCVDDWTXORLJ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87117;MM87117;C=NN=CC(C=O)C(=N)N;WILGIOHRLHEIJA-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87118;MM87118;CCOC(CO)=C(F)CO;YWGWLHYNSZORMI-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87119;MM87119;CC(CN)C(C)CN;RMIUJCRSUIITNG-UHFFFAOYSA-N;116.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87120;MM87120;CC(CN)CCCN;JZUHIOJYCPIVLQ-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87121;MM87121;CNC(=N)C#CCCF;SPDCLAJMMDDRPX-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87122;MM87122;C=CCC(CO)=C(F)CO;AHGLTIPDINQVJL-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87123;MM87123;N#CCC(CO)=C(F)CO;HWNJVJHKQPZVIP-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87124;MM87124;COC(C)=C(CO)CC#N;NMPGDQGXMCKHGN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87125;MM87125;COC(CC#N)=C(F)CO;JAHPDOHAUGKXBC-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87126;MM87126;CC(C)(OC=O)C(=N)N;QFAFZPQJXNPMIC-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87127;MM87127;C=C(C#N)NC(=N)C#N;CRCKBCMSYKQSII-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87128;MM87128;C=C(C)N(OC)C(=N)N;YBKCMARVPJONLL-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87129;MM87129;CCC(N)(CC)CCN;LVFJDWMKKSWNKJ-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87130;MM87130;C=COC(CO)=C(C)CO;DMVXBBUKTHFPIN-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87131;MM87131;CC(=CC(=N)NN)CF;NCYOSIKDCREFQD-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87132;MM87132;C#CCC(CO)=C(F)CO;TZJPXLYFSCMOGD-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87133;MM87133;C#CCC(OC)=C(F)CO;LZQUNLCHKYIPNB-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87134;MM87134;C=CC(C)C(N)C(C)C;DMEULHUTTAORFC-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87135;MM87135;CC(C=O)=C(CO)CCF;GVDSRIGQLAQRCF-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87136;MM87136;CC(C)C(=N)NCC#N;YVJMKXCIGQLIBU-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87137;MM87137;CN(C)C(=N)C#CCN;QOBNGRUWINYSOU-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87138;MM87138;C#CCON=CCC#N;SKKDCIRJZLZPTL-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87139;MM87139;CNC(COC)=C(F)C#N;QVOIYMBXGIKXRF-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87140;MM87140;COC(CCO)=C(F)C=O;WOKFIQBOVYGGIZ-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87141;MM87141;COC(CCO)=C(F)C#N;AKZIZURKUKYTHN-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87142;MM87142;CCNCCC(C)=CF;DYZUROXGVINBAV-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87143;MM87143;CNC(=N)C(=N)NC=N;CRMFOMPEUQFQIT-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87144;MM87144;CCC(CN)C(C)CN;QHDBAJXMDCDMEN-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87145;MM87145;COCC(OC)=C(F)C=O;OUGRSIQDXHRZTH-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87146;MM87146;CCNC(OC)=C(C)C=O;AETRGOIYPSNVIX-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87147;MM87147;CCOC(CO)=C(C)C=O;RMOVBQIJVIESAQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87148;MM87148;C=CC(C)=C(CO)CC=O;VBUHPYDZSAJEII-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87149;MM87149;CC(C#N)=C(CF)CC#N;NVSJDXSBJJDEGJ-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87150;MM87150;N#CCC(CO)=C(F)C=O;ZHAXJKBUGHEZKR-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87151;MM87151;N#CCC(CO)=C(F)C#N;RJUXRMZVPVPGIV-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87152;MM87152;CCC(CF)C(=N)NN;IZEVAZZIUSMUKI-UHFFFAOYSA-N;133.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87153;MM87153;CNC(CC#N)=C(F)C=O;BCZRGIZMTKIHBL-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87154;MM87154;COC(CC#N)=C(C)C#N;KGROUMUNPXWSRQ-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87155;MM87155;COC(CC#N)=C(F)C=O;KRMXYMKCWRMKNN-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87156;MM87156;C=CC(C)=C(CO)NC=O;KEMULPOINMMOMF-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87157;MM87157;C=CC(F)=C(CO)NC=O;VBFOEKYZZKJVTI-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87158;MM87158;C#CC(O)C=NNCC#N;HQALPSKEJZGBNG-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87159;MM87159;N#CC(F)=C(CO)NC=O;VTVLQIWRRHDXJI-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87160;MM87160;C=CC(=N)NC(=NC)NN;OGGYNSVYXMFXHG-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87161;MM87161;CCNN=C(CC=O)OC;DKCVTQDLZIGIFD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87162;MM87162;CCON=CC(O)CC#N;HDCVZFSOHXUVFN-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87163;MM87163;CNC(NC=O)=C(F)C=O;HSDQBQQWHFZZFI-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87164;MM87164;CNC(NC=O)=C(F)C#N;WJIWFODKKCVRMW-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87165;MM87165;CCONC(=NC)NC;ZHYQLLPWZPRCNU-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87166;MM87166;CCCC(=CN)C(=N)NN;VLYUUGALWZHCCW-UHFFFAOYSA-N;142.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87167;MM87167;COC(CC(C)(C)N)OC;ZRBIZMQAUKIVOZ-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87168;MM87168;CNC(C(=N)N)=C(F)C#N;KHFJDFUFTYJQJI-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87169;MM87169;COC(NC=O)=C(F)C#N;NJGCCVNGRKCJQQ-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87170;MM87170;C=COC(CO)=C(C)C=O;HWJGSWZZZKTBAB-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87171;MM87171;CON=CC(C)(N)C(=N)N;GXMABQNYMLYCDI-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87172;MM87172;C=COC(CO)=C(F)C=O;QUNCBLHJIJPWCX-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87173;MM87173;C=C(CNCC)CC(C)N;JCEYTZRUZORMMR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87174;MM87174;C=C(CN)CC(C)C(C)N;CSXBETHMAIKRAK-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87175;MM87175;C#CC(F)=C(CO)COC;DZJCBLQCJHJYPM-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87176;MM87176;C=C(CN)CC(N)C(C)C;UABLXUKYUDNUON-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87177;MM87177;C=C(CCC(C)N)CNC;MIUNIRYCYPODSE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87178;MM87178;C#CC(F)=C(CO)CC#N;FUJLIZQAKFSGLC-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87179;MM87179;COC=C(C=NO)C(C)N;DRBQIPBSSWARMJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87180;MM87180;CC#CC(C#CCO)=NN;JLQNGKXGSFKQLC-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87181;MM87181;C#CC(F)=C(CO)NC=O;VAWRZYQSHZOMPA-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87182;MM87182;C#CC(F)=C(CF)NC=O;OUHYFTUBLNVWEA-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87183;MM87183;COC(=O)C=CN=C(C)N;HAOLXNSPUXXYEM-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87184;MM87184;C=CCC(N)C(C)CNC;IZWSCBZQVFDOSY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87185;MM87185;C#CC(F)=C(NC=O)OC;NUIGWXJJPIFJIF-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87186;MM87186;C#CC(C)=C(CO)OC=O;RYRGYTDBRPHRNR-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87187;MM87187;C#CC(F)=C(CO)OC=C;NSFQQMWDCIRQMH-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87188;MM87188;C=C(NC=N)C(N)=CC#N;HEHPLWPTXAFQTM-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87189;MM87189;CC(=NN)C(F)C#CCO;GMMPOVMUMMVBQN-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87190;MM87190;CCC(N)=C(C=O)CCF;RYQXUFUCOAIECB-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87191;MM87191;CNCC#CC(=N)N(C)C;LQRHBCODKKHKIP-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87192;MM87192;COC(C)ON=C(C)CO;ULFVOCWQNZKEFW-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87193;MM87193;CCNCCC(C)=C(C)F;DSXIKZNUBVDYHF-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87194;MM87194;CC(C)C(N)C(C)C=CF;RNJUIPSVAZGSCL-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87195;MM87195;C=COC(=COC)C(=N)N;OPXXEAHWZAMOFJ-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87196;MM87196;CC(O)C=NN=CNO;JTXZSZDWFWPZTQ-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87197;MM87197;CCCNC(C)(CC)CN;UQSPQQZRYPNVKV-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87198;MM87198;COCC(C#N)=C(F)CO;WUZULKOLTHCLMA-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87199;MM87199;CCNC(=O)N(N)C=O;ITPSIDQFZAUTTJ-UHFFFAOYSA-N;131.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87200;MM87200;C=C(CN)C(C)C(N)CC;YAPDDDWLCVYDDX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87201;MM87201;C#CCNC(=N)CCOC;POXNYVBXCUPSTH-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87202;MM87202;CNCC=C(C)CCNC;ORNZMLNXZFCFHL-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87203;MM87203;CCCC(CN)C(C)CN;MYAQQGGHVCSOEL-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87204;MM87204;COCC(C=O)=C(N)OC;MXVAPHBIBYLPNN-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87205;MM87205;CNCCC(CF)CC#N;RRDYXQAGUPJSQH-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87206;MM87206;CCOC(C=O)=C(C)CO;RBXLFBGFZBMWAK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87207;MM87207;CNC(C)C(CN)C(C)C;NRKCVKPTIRKRNG-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87208;MM87208;CCOC(C=O)=C(N)OC;SCYDBFNFUKXWOP-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87209;MM87209;CN(C=O)C(=CF)C(=N)N;HZQZNHPQLGLTIO-UHFFFAOYSA-N;145.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87210;MM87210;CC(CF)=C(C#N)CC#N;BFLXDVGJVLZIKO-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87211;MM87211;CN=C(C(=N)NC)N(C)N;ACSYNLKBTWRVSO-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87212;MM87212;N#CCC(C=O)=C(F)CO;MWKISYMHPWPOJQ-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87213;MM87213;N#CC(CC=O)=C(F)CO;KDPMEKWMZDMLRB-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87214;MM87214;N#CCC(C#N)=C(F)CO;JWVWLFLELMORGL-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87215;MM87215;CNCCC=C(CN)CF;DSUBSDDSSPBYIQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87216;MM87216;C=CCC(C=O)=C(N)OC;XXQKIYRKLACWOQ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87217;MM87217;C=CNC(=N)C(C=C)OC;AMTPOAQWGQJFAJ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87218;MM87218;COC(N)=C(C=O)CC#N;YKGZDTPXCQGUOO-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87219;MM87219;C=CCCCNCCCN;MWIWATHYPJVCFH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87220;MM87220;C=NN(CC#CC)C(N)=O;BHXUGRJKSOUELV-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87221;MM87221;N#CC(NC=O)=C(N)CO;UIQZLFAHPLPCFZ-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87222;MM87222;C#CC(C)N(N=C)C(N)=O;RBTDCIHXWNIPIY-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87223;MM87223;COC(C)C=NN=CNO;SRZDZCJQJOABOV-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87224;MM87224;O=CNC(C=O)=C(F)CO;RYAUNEAMBVCVSM-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87225;MM87225;COC=CC=NN=CNO;IOPCWPTXUYWNSQ-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87226;MM87226;CNC(N)=C(C#N)NC=O;YGDLNSJOEHLARX-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87227;MM87227;C=COC(C=O)=C(C)CO;FKLFBDGIQZVXLU-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87228;MM87228;C=COC=NNCCO;SYYCXNHSPVZHEB-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87229;MM87229;C=COC(C#N)=C(F)CO;SXAWRHGFTPQJIV-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87230;MM87230;C#CCCNCCCCN;NFVMLVBRDUIKDB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87231;MM87231;CNC(N)=C(C#N)OC=O;QRSZLAGPMBBRBN-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87232;MM87232;C=COC(C=O)=C(N)OC;FYQAMWVWLZBFFI-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87233;MM87233;C#CCC(C=O)=C(N)OC;QJHWINCOLBGQJO-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87234;MM87234;C#CC(CC(C)=O)=NOC;ZCMMUBMJVQWVHB-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87235;MM87235;C=CC(C)=C(C=O)CCO;FDMVBRJTQYXIOB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87236;MM87236;CC(C#N)=C(C#N)CCO;JYSNBXFCXCSFAV-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87237;MM87237;N#CC(CCO)=C(F)C=O;FARICXFOPRBDKO-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87238;MM87238;CC#CC(=N)N;QLLGQNYGSOIXGM-UHFFFAOYSA-N;82.11;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87239;MM87239;C=C(C)CC(C)NC;PZUXTOMMVOLCCO-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87240;MM87240;C#CC(=N)NC(=N)N;YTHJPEDUMXILLM-UHFFFAOYSA-N;110.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87241;MM87241;C=C(C)CCNCC;SVIWMMFSFHLWKK-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87242;MM87242;CCC(=N)NCC#N;MLGCJYXIUPJQMP-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87243;MM87243;COCC(C#N)=C(C)C#N;HZUAAHLLSJGSDE-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87244;MM87244;C=CC(N)=C(C=O)COC;HPOSPPQESCIVTK-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87245;MM87245;CCCNCC(C)(C)N;CBAWVZZTVWKUSC-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87246;MM87246;COCC(C=O)=C(N)C#N;RTFJJABVSBXWKP-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87247;MM87247;N#CCONC=NOC=O;IZNYYNXRLWCOLH-UHFFFAOYSA-N;143.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87248;MM87248;COCC(C=O)=C(F)C=O;KZOVDNFPWYYEOB-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87249;MM87249;COCC(C#N)=C(F)C=O;LLCBCRVSAPZDHA-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87250;MM87250;CCNC(C=O)=C(N)C=O;QNOWIPGZXAYRSG-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87251;MM87251;C#CC(CC#N)=NNC;XIFCCEWCYFCTHV-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87252;MM87252;CCOC(C=O)=C(N)C=O;KIPQCGDNXBFANQ-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87253;MM87253;CCOC(C#N)=C(N)C=O;MZDRRKYZJFNSKW-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87254;MM87254;CCOC(C=O)=C(N)C#N;OOVYKQYBDDUPMX-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15704;MM15704;CC(C#N)=C(C#N)CC=O;VXVOEJLYQPPGRL-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87255;MM87255;CC(C#N)=C(C#N)CC#N;PMSDAUKGHNTHGS-UHFFFAOYSA-N;131.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87256;MM87256;CC(C#N)=C(C=O)CC#N;OQADTHCPNZVUJH-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87257;MM87257;C=CCC(C=O)=C(N)C#N;SKYBKKSNMKLWTE-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87258;MM87258;CC(CN)CC(C)CN;AJMALXBRSCPCJC-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87259;MM87259;C=COC(C=CCN)=NO;UBXPJCQUYBBDRV-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87260;MM87260;N#CC(CC=O)=C(N)C=O;JYTBNLLDHBNHKY-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87261;MM87261;N#CC(N)=C(C#N)CC=O;SEYGRDDYOLBNPY-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87262;MM87262;CNN=COC=NNC;MICILXPVPBAUKY-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87263;MM87263;N#CCC(C#N)=C(N)C#N;DNSHEULCQNUTJU-UHFFFAOYSA-N;132.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87264;MM87264;N#CCC(C=O)=C(N)C#N;QSWBPJMFAXOBKF-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87265;MM87265;N#CCC(C=O)=C(F)C=O;IWYSDQRUXRXXAI-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87266;MM87266;N#CCC(C#N)=C(F)C=O;MDYRBNARLVTMJH-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87267;MM87267;N#CCC(C#N)=C(F)C#N;OOZHJXOWKVMJKN-UHFFFAOYSA-N;135.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87268;MM87268;CC(C=O)=C(C=O)NC=O;PQWPVGIKKIIUPE-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87269;MM87269;C=CC(N)=C(C#N)NC=O;NHZFEDFJSOYPBI-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87270;MM87270;C=NOC(=O)C(N)=NN;QPNIWPKOECGIQX-UHFFFAOYSA-N;130.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87271;MM87271;N#CC(N)=C(C#N)NC=O;WLJRXWKOEDTVIV-UHFFFAOYSA-N;136.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87272;MM87272;C=C(C)N(C=N)CC=NO;AZGWTDNVRNVNSJ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87273;MM87273;C=CC(NC=O)=C(F)C=O;NGGJSCCJHIRHLY-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87274;MM87274;CNN=COC=COC;CFFLAZYOKUFJSU-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87275;MM87275;NN=c1occ(N)o1;RXCZVUKJCKCUMU-UHFFFAOYSA-N;115.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87276;MM87276;N#CC(F)=C(C=O)NC=O;KSKXPIYBRMSSSZ-UHFFFAOYSA-N;142.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87277;MM87277;N#CC(NC=O)=C(F)C=O;XVOHGXWPNHIHTD-UHFFFAOYSA-N;142.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87278;MM87278;N#CC(F)=C(C#N)NC=O;YCISRSRLHJSMHK-UHFFFAOYSA-N;139.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87279;MM87279;C=C(NC=N)C(O)C#N;FPXIKJHYCLBSRG-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87280;MM87280;N=C(N)NC(=N)C(O)CO;DZDDMNZQRLFYMN-UHFFFAOYSA-N;146.15;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87281;MM87281;C=CC(C)NC(=N)CO;UIEAFBVRFMKPKR-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87282;MM87282;CON=COCOC=NN;NOJMOUCGMDWAGQ-UHFFFAOYSA-N;147.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87283;MM87283;CC(C#N)=C(C#N)OC=O;RYESAKHMESNGEM-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87284;MM87284;C=COC(C=O)=C(N)C#N;YQUMZPVXTQFHNH-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87285;MM87285;C=COC(C#N)=C(N)C=O;TUKYLFCHHAHZCR-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87286;MM87286;C=COC(C#N)=C(N)C#N;YWPZRXHVRVWFGR-UHFFFAOYSA-N;135.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87287;MM87287;N#CC(N)=C(C=O)OC=O;AHTQVDFCPYZNAP-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87288;MM87288;N#CC(F)=C(C#N)OC=O;XEYMWZXKIRIMOF-UHFFFAOYSA-N;140.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87289;MM87289;C#CCC(C=O)=C(N)C#N;IPWZTGRKZPBSBZ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87290;MM87290;C#CC(F)=C(C#N)CCO;JKXLIHRESMATHN-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87291;MM87291;CNC(C)CC(C)=CF;JVCANJIEIZMIJJ-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87292;MM87292;CNCCC(C)CC#N;GJUHNEHCXIFYNR-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87293;MM87293;C#CC(N)=C(C=O)COC;QWSAQXUWRBSDQK-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87294;MM87294;CNCCC=C(C)CN;BPIFOGJSCNTUGM-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87295;MM87295;CCC(CNC)C(C)N;HPHBYOMSGDCLSA-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87296;MM87296;C#CC(C)=C(C#N)NC=O;VZCFCWSIBLWVDZ-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87297;MM87297;C#CC(N)=C(C#N)NC=O;AMXVHZCUUQZGIN-UHFFFAOYSA-N;135.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87298;MM87298;C#CC=COCOC=NN;NXSGNZUZPBFTMD-UHFFFAOYSA-N;140.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87299;MM87299;CC=CN(C)C(=N)NO;MMWXJTUEEGQLML-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87300;MM87300;C#CC(F)=C(C=O)NC=O;MVYOVHPKNOFSAY-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87301;MM87301;C#CC(F)=C(C#N)NC=O;LNXSJWRLDYNFHY-UHFFFAOYSA-N;138.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87302;MM87302;C#CC(N)=C(C=O)OC=C;TVGLIUVEKGDSIQ-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87303;MM87303;C#CC(C=C)CCNC;JWLUAXUNDSMUIN-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87304;MM87304;C#CC(N)=C(C=O)OC=O;VYGNQNUKMSYCRD-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87305;MM87305;C#CC(N)=C(C#N)OC=O;AYUMXWCDJDONKM-UHFFFAOYSA-N;136.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87306;MM87306;C#CC(F)=C(C#N)OC=C;SICZLHRFSTWEMA-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87307;MM87307;CC(F)CC(C)(N)CCF;MVPFCBAKAIEVBB-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87308;MM87308;C#CC(COC)=C(F)CO;XBWGFHCRMGOHFO-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87309;MM87309;C#CC(CC#N)=C(F)CO;SZKRERFCNMEEGS-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87310;MM87310;CC=CCCNC(=N)NO;LIVWHFMBFHTSPL-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87311;MM87311;C#CC(NC=O)=C(F)CO;FSUZFCHTIQPZEO-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87312;MM87312;C=C(CN)C(C)(C)CNC;WBRRKUTVQCBMMH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87313;MM87313;C#CC(NC=O)=C(C)OC;SYKSMHMRHMFFQK-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87314;MM87314;C#CC(OC=C)=C(F)CO;WFXPREGZYCLKRH-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87315;MM87315;C#CC(CCO)=C(C)C#N;IALXWLBTWMMDOQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87316;MM87316;C#CC(CCO)=C(F)C=O;PAHSXEBPFYJPOO-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87317;MM87317;CNCCC(C)(N)CCF;YAJKMGNBODHDNI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87318;MM87318;C=NN=CC(C)(N)C(=N)N;QHWDMZSSTOJNHL-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87319;MM87319;CN(N)C=NC=NC(=N)N;GLJNQWWVYAUEJE-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87320;MM87320;C=C(F)CC(C)CCNC;VQDXYBIOFDAFIU-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87321;MM87321;C#CC(NC=O)=C(C)C#N;CZSFZEBEPOOVBA-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87322;MM87322;CCON=C(NOC)OC;WCDQANUOUMNHFM-UHFFFAOYSA-N;148.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87323;MM87323;CCONC(=NOC)OC;WCDQANUOUMNHFM-UHFFFAOYSA-N;148.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87324;MM87324;C#CC(NC=O)=C(F)C=O;CNLABYKVFCOMOC-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87325;MM87325;C#CC(NC=O)=C(F)C#N;QBDHLKJKSPBBSO-UHFFFAOYSA-N;138.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87326;MM87326;C#CC(=O)NNC=NN=C;YNWXPAONLPFIAK-UHFFFAOYSA-N;138.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87327;MM87327;C#CC(C)=C(C#C)CCO;NMGUFTFIZDWGLB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87328;MM87328;CNC(C)CC(C)=C(C)C;FOVSTWXRAKMCQK-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87329;MM87329;C#CC(F)=C(C#C)NC=O;YGPTZKYDHOAYBH-UHFFFAOYSA-N;137.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87330;MM87330;CNC(C)CC(C)=C(C)F;KRFVFFHFULARBV-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87331;MM87331;CC(C)=C(C)NC(=N)CN;QZDMTCWQRSXIDN-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87332;MM87332;C#CC(O)CC(=O)ON=C;HUOKIJJQNHTIDR-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87333;MM87333;C=CCN(C=N)CC(C)O;QFWXSLQMDZAZHN-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87334;MM87334;CCC(C=NO)=C(N)C#N;PIAZGVYIABWDMA-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87335;MM87335;CNC(C=NO)=C(C)C#N;IRXKMILUHIHYSC-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87336;MM87336;CNC(C=NO)=C(N)C#N;GWSHIQFJKIONKJ-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87337;MM87337;CNC(C=NO)=C(F)C#N;OCKDTIPGZZPIBC-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87338;MM87338;COC(C=NO)=C(C)C#N;NPRPHBQKAABZQJ-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87339;MM87339;CNC(=N)C#CCC(C)O;KKYMZJDVJDXCAU-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87340;MM87340;C#CC(C)=C(C=NO)CO;OVMKUMCGPDSPCP-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87341;MM87341;C#CC(N)=C(C=NO)CF;YXAWIONZQTUWKP-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87342;MM87342;C=CN=C(C)NNC(C)=N;MOCHZBWPLQIOHV-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87343;MM87343;CC=CC(C=O)=C(N)CO;AJONLAJVHFBJAF-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87344;MM87344;CC=CNC(=O)N(N)C=O;OLXPEOVYZFNVGE-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87345;MM87345;CCC(N)=C(C#N)C=NO;GQMLCBKZDKQSNR-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87346;MM87346;CC(N)C=CC(C)C(C)N;VURXUWUGAXEVJZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87347;MM87347;CC(=N)NC(N)=C(F)C#N;APJQJJUWDAJFPA-UHFFFAOYSA-N;142.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87348;MM87348;CN=CNCC(F)CCF;KWVHVHWGTBVSLR-UHFFFAOYSA-N;150.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87349;MM87349;C=CC(C=NO)=C(N)C=O;SQUMVJKCQMEMQB-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87350;MM87350;C=CC(N)=C(C=O)C=NO;TWQHODGEBRIVQB-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87351;MM87351;C=CC(N)=C(C#N)C=NO;PEDQTNCLXMVWEK-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87352;MM87352;N#CC(F)=C(C#N)C=NO;GGDYQPQZQPBHMJ-UHFFFAOYSA-N;139.09;0.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87353;MM87353;N=CNCC=O;WLHBIWWJKPXTOC-UHFFFAOYSA-N;86.09;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87354;MM87354;C#CC(C=NO)=C(C)CO;IUJBOAAVFQJDIR-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87355;MM87355;C=CNC(=O)N(N)C=O;ASYJEPWRYAZIAC-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87356;MM87356;CN=CN(C)C(N)=CC#N;MXGVXZIRRNJOSR-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87357;MM87357;C#CC(C=NO)=C(N)OC;BKVLKPNUCOCTPW-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87358;MM87358;C#CC(C=NO)=C(C)C=O;YPOFCLYGVPQVOZ-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87359;MM87359;C#CC(C=NO)=C(N)C=O;UJRKFBMEBPUFAB-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87360;MM87360;C#CC(C=NO)=C(N)C#N;RWZLPKMNBGPLDJ-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87361;MM87361;C#CC(CN)C(C)C(C)N;XRWHHFQJHPLIKQ-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87362;MM87362;C#CC(N)=C(C#C)C=NO;ZWWXYOATIDFQPB-UHFFFAOYSA-N;134.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87363;MM87363;CCCC(CNC)C(C)N;JSQUUQSFHGASEE-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87364;MM87364;CN=C(C)NC(=NC)NN;AVOSLSIJGJRDDG-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87365;MM87365;CNCC(CCF)C(C)N;AVIPXAWBCQTLPF-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87366;MM87366;C=C(C)C(CNC)CNC;GGOMANHDXNZWDL-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87367;MM87367;CC#CC(C=O)=C(N)C=O;HWJXKXNLDNWKAW-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87368;MM87368;CC#CC(C#N)=C(N)C#N;WGYMPYKAPJJAQR-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87369;MM87369;CN=CN(CCN)C(C)C;IYASITOBECLJNL-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87370;MM87370;CNCCC(C)C(F)CN;QMCRWMKTSNJXNP-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87371;MM87371;C#CCOC(=C)C(=N)NN;VUJNZKOJFVCABD-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87372;MM87372;CN=CNC=C(C)CC=O;AJYPTBUYZUUMAS-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87373;MM87373;C=C(C=CCCNC)CN;USBZOSJTTSPIND-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87374;MM87374;COCCC(CO)CCO;WVFYRYSBTMIIMA-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87375;MM87375;C=CCC(CN)C(C)NC;FGLUUTRREMMZCB-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87376;MM87376;C=CC(=C)C(C=C)CNC;ORHHJRCVOPSAEC-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87377;MM87377;C=NOC(=NC=O)NO;ZRVMBRONBUXWIQ-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87378;MM87378;COCCC(CO)COC;OJQNZYZXERYNIG-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87379;MM87379;C#CC(C=CF)CCNC;FKHWEMMWVZZPOR-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87380;MM87380;COC(=NOCC#N)NO;FSWAIXUCMYHHIZ-UHFFFAOYSA-N;145.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87381;MM87381;C#CC(C=NN)CCNC;VGYWEGNREZFJOI-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87382;MM87382;C=CC(=N)N(NC)C(=C)C;RSZGWJBXXFDQEZ-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87383;MM87383;C#CC(CCNC)C(=C)F;NFPSDXFAVRCAJD-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87384;MM87384;C=CCCNC(CN)=NC;QHZKTMHSZHOWGQ-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87385;MM87385;C=CC(=CCCNC)CN;PJGMPHCYSNIIBO-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87386;MM87386;COC(OC)C(C)NC=N;PHFWIKGHRWPULX-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87387;MM87387;CCN(O)C(CF)=NN;CJTAFACJLXWDLL-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87388;MM87388;C=CCC(=N)N(C=C)NC;VJEHGVUTZWBPNK-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87389;MM87389;COCCC(CCO)OC;WLBJWJRUFNGFNR-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87390;MM87390;CCNC;LIWAQLJGPBVORC-UHFFFAOYSA-N;59.11;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87391;MM87391;C=C(F)CON=CCO;UFADDIAGTCATTE-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87392;MM87392;CNCCCCF;RGILQTLZYDPUJS-UHFFFAOYSA-N;105.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87393;MM87393;C=C(F)CC(C)(C)N;LAYSWNIDXXSGMN-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87394;MM87394;COCCC(COC)OC;CWLPBGQUGHLPBK-UHFFFAOYSA-N;148.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87395;MM87395;CNCCCC(C)F;QQGXETWEMHSBTL-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87396;MM87396;C#CC(CO)C(=O)ON=C;ZXYXBVHAHBTEBQ-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87397;MM87397;CNCCCCC#N;BGQUMUJMYOMMEO-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87398;MM87398;CN(O)C=NN=CNO;VUANMCKFRVZJNY-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87399;MM87399;CN=CNC=CCF;IGRQKJXYKDXHOL-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87400;MM87400;CN(C=N)CC(C)(F)F;WIFKTWTVYXZZHW-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87401;MM87401;CCC(C)(N)CC(C)N;DZDWNIJHTQUMJU-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87402;MM87402;CC(F)C=NN=CNO;OKUIAGMTDUWTFZ-UHFFFAOYSA-N;133.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87403;MM87403;CNCCCC(C)(F)F;WACPOZLMKWQCSQ-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87404;MM87404;CC(N)(CCF)CCF;UEDBXMFYNIXFCZ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87405;MM87405;CNC(=N)NOCCC#N;ZJLPCXGFFJZKFI-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87406;MM87406;C#CC(CF)C(=N)NC;RWEQBXGDDRIDOM-UHFFFAOYSA-N;128.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87407;MM87407;C=CC(N)CCC(C)N;MZFUYUUGCZGUMF-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87408;MM87408;C=NN=COCC(=N)N;LSEOEXGBGKIPAS-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87409;MM87409;CNC(=NC(C)C)NOC;AKKACXMUCSIUOJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87410;MM87410;C=C(CCNC)CNC;OGEWAGSSGUPWGD-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87411;MM87411;COCCC(=N)N(C)N;HELYZXRLZRMTKX-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87412;MM87412;CCC(F)CCCNC;LBBLNJIRYQFSQP-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87413;MM87413;CCOCC(CCO)OC;MKUALEVAQMPPPO-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87414;MM87414;CNCCCC(F)CF;XAIOCFNKEKXMOD-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87415;MM87415;CCOCC(COC)OC;CCRPAKKYRKGCEY-UHFFFAOYSA-N;148.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87416;MM87416;CCC(N)C(C)CNC;XGFJGWNMGIQJMP-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87417;MM87417;C=NNCCCCNC;CZDCOHWISFDGCH-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87418;MM87418;C=NOCCCCNC;NGKSNVMQXSEFOE-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87419;MM87419;CNCCCCC=NN;NAULDJSXIXLCEC-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87420;MM87420;CCC(C)(F)CCCNC;FQGHCFNVAHVZJI-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87421;MM87421;C#CC(=NC)N(C)C(=N)N;FBQFSZCGCYYUHX-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87422;MM87422;C=CC(C)(F)CCCNC;RVBLPMVMEKQWOX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87423;MM87423;CCOC(CCCO)OC;OMUABRUHAWUNTO-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87424;MM87424;CCOC(CCOC)OC;FSWDUUZBFBEKIK-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87425;MM87425;CCN=C(C)NNC(C)=N;JTDWVOSXEQDCMV-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87426;MM87426;CCOCC(CO)OCC;CCLNWKPQPZBSEI-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87427;MM87427;CCOCC(OC)OCC;OWRXRUHWOAOBJV-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87428;MM87428;C=NN=C(C)OCC(=N)N;NOPQBYNNCADGPD-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87429;MM87429;CC(N)C(C)CCN(C)C;HGQPMOSOYXWGFJ-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87430;MM87430;CCC(N)CC#CC(=N)N;STCARPFMXCBFEE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87431;MM87431;C=CC(N)C(C)CC(C)N;UIDJDNMJWYHMDZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87432;MM87432;CNCCCC(F)CC#N;DYDHXXOWDMSYLR-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87433;MM87433;C=CCC=NN(C)C(N)=O;MUKHDFIZAZPBDL-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87434;MM87434;CON=CN=NC=CNO;CIZAXKXGULTBOS-UHFFFAOYSA-N;144.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87435;MM87435;C=NOC=NNC(=N)C#N;KVIYIMZKIGCVOY-UHFFFAOYSA-N;139.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87436;MM87436;OCCOC(CF)CCF;JFPXYEPNBFYSSX-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87437;MM87437;C=NNC(C)CCCNC;NBJHWEQZGUSNMW-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87438;MM87438;C=NNC(C#N)=C(F)C=O;ISNOSDHMPCVMCJ-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87439;MM87439;CNCCCC(C)OC=O;BAMPONBDRKCNHE-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87440;MM87440;COC(CCF)OCCO;WKOSEFQAYSSHKQ-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87441;MM87441;COC(CCF)OCCF;XSECMFZXWWYMMV-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87442;MM87442;COCC(OC)OCCO;PXMCAASZYZQAIW-UHFFFAOYSA-N;150.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87443;MM87443;COCC(OC)OCCF;CWZJSPYECVVTKI-UHFFFAOYSA-N;152.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87444;MM87444;CNCCCC(F)C=NN;VJTSWTYWTVADKN-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87445;MM87445;CCCOC(CO)OCC;GHANDYMZRBJJPC-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87446;MM87446;CCOC(CF)OCCO;COHSZEHVLRMTBI-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87447;MM87447;COCC(=N)NC=CCF;AELVVKHGSGSBLM-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87448;MM87448;CNN=C(CC#N)CC#N;YKNUQSGULVXPOW-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87449;MM87449;CNNC(=N)C=CC=CF;RJMKBZOZFHQRGH-UHFFFAOYSA-N;143.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87450;MM87450;C#CC(OC)=C(C)C(=N)N;SAKSYONQSNTULC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87451;MM87451;C=C(C)C(F)CCCNC;OQRZNLLSDNZEQM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87452;MM87452;C=NNC=C(F)C(=O)C#N;UAFKHHSAKIWAOC-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87453;MM87453;CC=NOC=NNCC#N;VUROASMRGXSYAL-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87454;MM87454;CCOCCC(=N)N(C)N;RCNNNPJPUJLESM-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87455;MM87455;COC(CCO)CCC=O;PQKRWTNOJFVPQB-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87456;MM87456;CCOC(C=NNC)=NN;UUOAHOANSQWEKS-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87457;MM87457;C#CCC(C)C(N)C(C)C;RSORKNZSKNBIOY-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87458;MM87458;C=C(C=O)C(=NNC)OC;XYAYJMMHYWWLAF-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87459;MM87459;CNCC(C(C)C)C(C)N;PSYHHCVYZUMDKL-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87460;MM87460;C#CC(CN)CCC(C)N;TWXXOAGJEDABNC-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87461;MM87461;C=C(C=CCN)CCNC;OSGHIUOFRATCLB-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87462;MM87462;CCNNC(=N)C=CCF;CGHKAMXCVCLMMJ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87463;MM87463;C=C(CN)C(=C)CCNC;CFQVTLJAXVWXPK-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87464;MM87464;C=NOCC(=C)C(=N)NN;OWQSHLNKUOWQEF-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87465;MM87465;CNC(=N)N(N)C=NC=N;ZZZSQQBQMBMDJI-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87466;MM87466;CNCCCCC(C)=NN;PHRQUWBQYYPMRO-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87467;MM87467;CC=C(CCNC)CNC;RIGHPTCSRVUHEL-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87468;MM87468;C=COCC(CO)COC;HYBVRROEWPAPFO-UHFFFAOYSA-N;146.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87469;MM87469;COCC(F)C=NOC;DLPYHWRJJSYMKP-UHFFFAOYSA-N;135.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87470;MM87470;C=CC(=CCN)CCNC;MRFKNHMSTJZACI-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87471;MM87471;C=CC(CN)C(CC)NC;DXFLDNUCZGQNSJ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87472;MM87472;C=CCCNCCCNC;ZPCRROSHUDQVDU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87473;MM87473;C=CC(C=NO)C(C)NC;GRHWPNUOEJRFDA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87474;MM87474;CC=NNCCCCNC;ZHQYAIMJZWBQPB-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87475;MM87475;CCOC(CCC#N)OC;SQFIVVOQESTUSZ-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87476;MM87476;C=CN=CNCC=CC=O;HPCXLPXTHJLPAG-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87477;MM87477;CCCCNC;QCOGKXLOEWLIDC-UHFFFAOYSA-N;87.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87478;MM87478;N=CNCC(F)F;RLTMBFKXQBVAOB-UHFFFAOYSA-N;108.09;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87479;MM87479;C=COCC(CO)OCC;HPGRIVVDWYRQDV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87480;MM87480;C=CCC(C)NC;BRLFBNVIHIQUMM-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87481;MM87481;CN(C)C(=N)NC=NO;HRAAEIIPAJBFCD-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87482;MM87482;C=COCC(OC)OCC;IELQNQLDZIHBPK-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87483;MM87483;C=CCCNCC;IAPZHYGQTIVTEU-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87484;MM87484;C=C(C#N)C(C)(O)C(=N)N;VWWGGKLIFDGRMQ-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87485;MM87485;CN=C(C#N)NC(C)C#N;HJDDXNAKWDEEHA-UHFFFAOYSA-N;136.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87486;MM87486;N=C(N)CC(F)(F)F;HCWWJFASZVJTOM-UHFFFAOYSA-N;126.08;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87487;MM87487;C=CC(C)NC(=N)C(C)O;NUCVDVRALLCYPL-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87488;MM87488;CC(N)C(C)C(C)(C)N;OYBPRHVCFQBCTR-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87489;MM87489;N#CC=C(N)NC(=N)CO;ANIVLDLKBOQABY-UHFFFAOYSA-N;140.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87490;MM87490;CC(N)CC(F)CCN;BPEOMDLSWJGMRU-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87491;MM87491;CNC(C)CC(C)NC;DVNSRGIPZPKUSM-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87492;MM87492;CCCC(CO)OCC#N;YPGWPDNQXOFLIZ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87493;MM87493;C=CCOC(CO)COC;NZVRODQAWPPMPM-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87494;MM87494;COCC(CO)OCC#N;CFYZGYHLTQZWMR-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87495;MM87495;COCC(CF)OCC=O;IOBFTIKSHDWSHB-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87496;MM87496;CCCC(OC)OCC#N;AGFCKELFQODVPJ-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87497;MM87497;COC(CCO)OCC#N;XSVNLLAQKJPSOX-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87498;MM87498;C=C(CCNC)C(C)N;IWAOFTZITDICRK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87499;MM87499;C=CC=CC(=N)N(C)N;ZNOBSKFWGVBQLL-UHFFFAOYSA-N;125.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87500;MM87500;C=CCOC(COC)OC;PFGYILUZDMFOMF-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87501;MM87501;COCC(OC)OCC#N;VMNGFHMRAQTITH-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87502;MM87502;CCC(CCO)ONC=O;XZDLICBENQWPHM-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87503;MM87503;CCNCCC(C)NC;XKKMWTUYYVVRBJ-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87504;MM87504;CCOC(CO)OCC#N;CTDWHTSPNLZVNW-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87505;MM87505;CNC(C)CC=CC#N;PZUBAEKLOGBGKJ-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87506;MM87506;C=CNC(=N)N(C)OC;DSOFBJZIYRBVMJ-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87507;MM87507;CNCC(CF)CCN;UUOAYLCKSHCTFQ-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87508;MM87508;C#CCOC(CO)CCO;FIGTVBMRMGXIKL-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87509;MM87509;C#CCOC(CO)COC;MSOOPGRFIBRRED-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87510;MM87510;C#CCOC(CCO)OC;XVDQYDTUOJKFAH-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87511;MM87511;C#CCOC(COC)OC;IAYJYJABFVVDOX-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87512;MM87512;CN=C(NC)N(C)OC;FREPJWOXWRZDFS-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87513;MM87513;C#CCOC(CO)OCC;UQUBOIYFDIZKKN-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87514;MM87514;CNCC=CCCNC;ZDMUISDZLKJLOF-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87515;MM87515;O=CCC(CO)CCCO;USFSWYDTISCXPQ-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87516;MM87516;CNCCC(C)=CC(C)N;VCOYIRQKWULONN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87517;MM87517;C=CN(N=C)C(=O)C=CN;PVFIBTMFFANYOX-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87518;MM87518;C=CNC(=N)C(C)(N)C=C;MJLSCDVOEZNASW-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87519;MM87519;COC(CC=O)CCCO;SMKKZWDSTRRNRZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87520;MM87520;C=C(C)C(N)CCC(C)N;YVFMUVCGGMLKOL-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87521;MM87521;COCCC(CC#N)OC;FCDBGVKMCVRUSE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87522;MM87522;C#CCON=C(C)CO;WDEVCQWXSBVPMH-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87523;MM87523;NN=C(NO)C(N)=O;QWVTXRKNRBFGLF-UHFFFAOYSA-N;118.1;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87524;MM87524;CCOCC(CC#N)OC;ZYCMQOSIPUHSFX-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87525;MM87525;CC(=NN)OC=CC(C)O;LGSKKQMERQMUCT-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87526;MM87526;CC(CCN)C(C)N(C)C;JARPHHMLVBZSSG-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87527;MM87527;CCC(=NN)OC=NN;WZBMDYGHGQSCGP-UHFFFAOYSA-N;130.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87528;MM87528;C=CCC(CNC)C(C)N;UJGKUZXGOXROSP-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87529;MM87529;C=COC(=CC#N)C(=N)N;PSYQQUDZWKZHMG-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87530;MM87530;C#CC(C)(C=O)CN=CN;VBEYRYOOZHEPQD-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87531;MM87531;C=COC(CO)CCCO;AOEHSJSGJZIQHC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87532;MM87532;CCC(=N)NNC(C)=NC;IZOGPZKGDRXYNP-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87533;MM87533;C=CC(CCC(C)N)NC;HWSNLFSKOIGWFL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87534;MM87534;C=COC(CO)CCOC;CTQOFLMLVOCVOH-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87535;MM87535;CNCCC(C)C(N)CF;XWEROGPAJJQPQH-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87536;MM87536;C#CC(N)C(C)CCNC;OKKMWQHXKHFDMK-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87537;MM87537;CCC=NOC(=NN)OC;KZJDZZVAOOLRFG-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87538;MM87538;C=CCCNCC(C)CN;YDNWTJXGWAACAJ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87539;MM87539;C=COC(CCCO)OC;UIWZQVOJUBVKKY-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87540;MM87540;C=CC(C)CNCCCN;GLJULNKUYCMXFL-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87541;MM87541;C=CCC(NC)C(C)CN;CWBHGNAEUOVTRC-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87542;MM87542;CN(C=O)C=COC=NN;NNJCIHUJVQUCNL-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87543;MM87543;C=CC(C)C(CCN)NC;HHLDNTIDSGQFHB-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87544;MM87544;C=CC(CNC)C(=C)CN;JOIVYAJYFSPEOU-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87545;MM87545;C=CC(C=CCN)CNC;JWQMCIXSHOFSCR-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87546;MM87546;C=COC(CO)COCC;FIRNGBVPCLTRIM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87547;MM87547;CC(=N)NCC#N;CCSCAOQZPUIRMS-UHFFFAOYSA-N;97.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87548;MM87548;CNCCC(C)(C)N;CEXOTARNUNKHAK-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87549;MM87549;CNCCCNC(C)C;IOWKVIRYCFXIFG-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87550;MM87550;N#CCC(CO)OCCO;PMIOVOYYFYSTFU-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87551;MM87551;COC(CC#N)OCCO;VBFBICFFIJKUKK-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02702;MM02702;COC(CC=O)OCCF;IIWWPZYNCZIGGF-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87552;MM87552;C=COC(CO)OCCC;DMJGVBLYJLMUBN-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87553;MM87553;C=COC(CO)OCCF;VXZRZFLMXFOSJM-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87554;MM87554;C=COC(CF)OCCO;XMIFHQRTTKQSLX-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87555;MM87555;CCNC(C)CCNC;RHCPVXMOFXMBFO-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87556;MM87556;C=C(F)C(C)CCNC;XUQARKARAWALSA-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87557;MM87557;N#CCCC(CF)CC#N;KSHUJCMXVYVZPQ-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87558;MM87558;COC=NOCOC=NN;IAIVLCRMEUIEKR-UHFFFAOYSA-N;147.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87559;MM87559;C#CC=NNC(C#N)CF;SDLHWUNZJNMDHQ-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87560;MM87560;C#CC(N)CCCNC;WYOAJNUEXMNYJF-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87561;MM87561;C=CN(C=NC)C(=O)CO;UIXHFNHTIIGLJJ-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87562;MM87562;C=CN(C)C(=N)N(O)CC;NMHQPFCGASBOHL-UHFFFAOYSA-N;143.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87563;MM87563;C=CC(=C)CCNCC;UGZUBUJYVAONGF-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87564;MM87564;COC(CC#N)CNC=O;OCNNGBXSMDFJER-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87565;MM87565;N#CCNN=CC(F)CO;LIHXBBBMBZNSNM-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87566;MM87566;CCC(=N)N(C)CC#N;BZPGNJOGSUSMEV-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87567;MM87567;C#CCC(C=C)CNC;ZKSKBJOPTWWMNC-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87568;MM87568;C=COCC(CO)CC=O;LUNIEVMUCGRHBM-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87569;MM87569;C=COCC(CO)CC#N;KHQZAADOFGFSJU-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87570;MM87570;CC(=NN=CNO)C(C)O;BIZOYWCTMSXBQJ-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87571;MM87571;COC(CC#N)COC=O;BZYJCTCDMVJFQI-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87572;MM87572;CNC(=N)C(=CF)OC;YXXXSWYWUFJDIL-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87573;MM87573;CN(C)C=NC(C)(C)CN;HPTIYASHIFEHOJ-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87574;MM87574;CCN=C(NO)NC(=N)N;QQEJDFLEQAICIY-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87575;MM87575;C=C(CO)OC=NNC;XVGDBGUQAADEMU-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87576;MM87576;CCC(CO)=NN=CNO;OSDDSLAWSAOAMF-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87577;MM87577;CC(CO)=NOCC=O;HDHSATOSRLRCEV-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87578;MM87578;CCC(N)(CCN)C(C)C;XOFNZCARGORUJD-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87579;MM87579;C#CC(C)(COC)C(=N)N;ZQBSWQHJXPGEEK-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87580;MM87580;C=C(F)C(=C)CC(C)NC;QVGCJKPOMPNOER-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87581;MM87581;C=COC(CO)CCC=O;WYZKSAJEMRZJIS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87582;MM87582;C=COC(CO)CCC#N;PZRGLHYCBUIBSK-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87583;MM87583;C#CC(=CC(=N)N)OCC;QIKOHYUKAOAIOX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87584;MM87584;C#CC=NOC(CO)CF;TYEQKWMNTDXYNV-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87585;MM87585;CC(=O)OC=CCN=CN;FWEFVBHSMLAGKH-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87586;MM87586;C=C(C=NN)CCNCC;CNSVDIAAOGZOQV-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87587;MM87587;CCC(CNC=O)OC=O;SREVROYIJWWAMJ-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87588;MM87588;C=CNC(=N)C(N)C=CC;UDKNIOPHBAQTDA-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87589;MM87589;C=COC(CNC=O)OC;RSSXPMPEZGZATC-UHFFFAOYSA-N;145.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87590;MM87590;C=C(F)C(CCN)C(C)N;VWUDHRVFVIAROE-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87591;MM87591;C=CC(CC(=N)NN)OC;PMQYNRZHWTUXBQ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87592;MM87592;C=CC(CC)NC(=N)CN;ZUUJHLWEPQZSQS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87593;MM87593;C=COCC(CO)OC=C;BGBCQQVUFOHFST-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87594;MM87594;C=COCC(CO)OC=O;AEFYDULSMPTHFT-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87595;MM87595;CCC(=NC)NNC(C)=N;JFYQGKSOYSVQSD-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87596;MM87596;CC(=COC(C)=NN)CO;TVGVNIMOJAWYNB-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87597;MM87597;C=COC(COC=O)OC;QZIPPICTEKIBLH-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87598;MM87598;C=COCC(OC)OC=O;SQDWNBKHAXGBON-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87599;MM87599;C=C(CCNC)CNCC;VZMHIRMRBSRFQB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87600;MM87600;C=C(CCNC)C(C)NC;DMMAJBCSHZEQQE-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87601;MM87601;C=CCNC(=N)N(C)OC;ZJCMSBCQZKEOBV-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87602;MM87602;CCC(CC#N)OCC#N;GBRKUCUAUMUTCY-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87603;MM87603;C=CCC(CO)OCC#N;VTMROJRFDMPMTC-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87604;MM87604;C=CCOC(CO)CC=O;VKJKFBIKSDSFDR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87605;MM87605;C=CCOC(CO)CC#N;KVGZZKZPDJNTDP-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87606;MM87606;N#CCC(CO)OCC=O;WNHUJZAMDZXVIK-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87607;MM87607;COC(CC=O)OCC=O;TWAZACRYIGMVNH-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87608;MM87608;COC(CC#N)OCC=O;OXYYTXXJMGUXHG-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02699;MM02699;COC(CC=O)OCC#N;CMHOBXMUEKEQNE-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87609;MM87609;COC(CC#N)OCC#N;AOOILNFKIGBUEU-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87610;MM87610;CCC(CC=O)ONC=O;VBTHPTPGHFYIPD-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87611;MM87611;CNCCCCC(N)CF;UEMPKKABBIUFPJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87612;MM87612;C=CC(CNC)CNCC;UQZXXILVPAXHFQ-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87613;MM87613;CCCN=C(CNC)NC;PQOKVLAWQYLMDO-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87614;MM87614;COC(CC#N)ONC=O;ZZYZQGWZHZNCAM-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87615;MM87615;C=COC(CO)OCC#N;ZPKGSJALXLEGJD-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87616;MM87616;CCCNC(CN)C(C)C;PXHFETNNPQXXKG-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87617;MM87617;C=C(C)C(CF)CCNC;BKPRYCKLMFDIEP-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87618;MM87618;CCN(CCC#N)NC=O;VSPIBBBKICBVCX-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87619;MM87619;C#CC(COC=C)C(=N)N;GHVXLJSOKADXKS-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87620;MM87620;C=CC(C)=NN=CNO;CYQZVZLBSJHVGX-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87621;MM87621;CNCCCC(CF)NC;AYDQMAYFQNOIDX-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87622;MM87622;C=COC=C(CO)C(=N)N;RCQATBWHQKCRSV-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87623;MM87623;C#CCOC(CO)CC#N;PFJOPUGNYFGJBS-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15899;MM15899;C#CCOC(CC=O)OC;IUQLIBWUEQOCMM-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87624;MM87624;C#CCOC(CC#N)OC;ISVKOVMDAZCQCZ-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87625;MM87625;C#CCOC(CO)OC=C;ASQJZWYLIFNRRL-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87626;MM87626;CCC(C)(CO)C(=N)NN;WGDXPOWQEKYTDF-UHFFFAOYSA-N;145.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87627;MM87627;COCC(C)=NN=CNO;CUCVJHNEBYZDAS-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87628;MM87628;CNCCCCNCCF;VDMVLVPVUUPEAJ-UHFFFAOYSA-N;148.23;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87629;MM87629;CC(F)=CC(=N)N;NFVNGFAVMHKGPZ-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87630;MM87630;C#CCC(CO)OCCO;KMOAJSVDJDEMKC-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87631;MM87631;C#CCC(OC)OCOC;RYJVBNUXMVFJKE-UHFFFAOYSA-N;144.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87632;MM87632;C=C(C)C(=NNC)C(N)=O;PHQUCDCFVNEYSG-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87633;MM87633;CC(C)C(N)C(C)C;FATQVQVMXNESGD-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87634;MM87634;CNCCC(C)(C)NC;NPLHWESLGFAHEP-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87635;MM87635;CNN=COC=NN;KIUMSEPWXMFNMB-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87636;MM87636;COC=NNCCC#N;XPTGHUVNXUREBN-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87637;MM87637;C#CCC(CO)OCC#N;QBVTYIRXGCTTNQ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87638;MM87638;C#CCC(OC)OCC=O;OTKGOGAWHZRNBQ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87639;MM87639;C#CCC(OC)OCC#N;IWVYXORXHSKHJY-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87640;MM87640;CNN=COCCC#N;QZWKPFMEYYYVAV-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87641;MM87641;CCC(C)(CCN)NC;LXGYESNUXLUILV-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87642;MM87642;C=CC(=C)CC(C)NC;YEYSYISQKFYNCW-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87643;MM87643;CNCCC=CC(C)N;XJBUCOHDZPCVNJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87644;MM87644;COCCC(C=O)CCO;LNXJRZODXZZJDY-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87645;MM87645;CN(N)C(=N)N(N)C=N;XOOIJGRLWCOREL-UHFFFAOYSA-N;130.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87646;MM87646;C#CC=NOC(CO)OC;SOJTVBYGHHPKKX-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87647;MM87647;CNN=COCC(=O)C=O;BMQFCRVGOLWCFX-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87648;MM87648;CCNC(C)C(C)CN;XEDAFAKZUNPHLH-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87649;MM87649;C#CC(COC)C(=N)N;LAZVGSDBRIEFIM-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87650;MM87650;CC(CF)=NN=CNO;MLUNFZAWBAYQHA-UHFFFAOYSA-N;133.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87651;MM87651;N#CC(=CN)C(F)=CCO;IDQFYOPFDHMDPS-UHFFFAOYSA-N;142.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87652;MM87652;CNN=C(C=O)NN(C)C;CNWCCPFPTRPVLE-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87653;MM87653;N=C(N)C(=CF)CCF;QPDALOTZJLMTSI-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87654;MM87654;COC(C=O)C(N)=CC#N;RSGYCWSKHOWMCK-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87655;MM87655;N=C(C=CCF)NCC=O;GUZYZRCBQKTMNO-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87656;MM87656;C#CC(=O)C(N)=NC=NC;DEQSPTNSFQMSKB-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87657;MM87657;CCC(N)C(C)C(C)(C)N;VSYXDWBAWUZVEE-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87658;MM87658;CCCC(C)(N)CCNC;ATSKADIXDBDESL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87659;MM87659;CON=CC(C)(C)NC=N;YMONNRNTWUKPTF-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87660;MM87660;C#CCC(=NNC)OC;MUAPCLCRDOCAOR-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87661;MM87661;C=CC(=O)CC(N)=NC;UYVCIUABNIAHFQ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87662;MM87662;CCOC(C=NN)=NN;FYJBJLJSRTVBHX-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87663;MM87663;C=CN(N)C(=NN)NCC;QRXYUICJDZKCBX-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87664;MM87664;C=C(C)C(=C)CC(C)NC;NYMMJARYEMCMPO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87665;MM87665;CCC(N)CC(F)CCN;JLRDFKVECSEGFO-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87666;MM87666;C=CC(COC)OCOC;UQGPISJHJPJTNI-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87667;MM87667;CCOC(C#N)OCCO;IVZFYMQCRRCWBU-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87668;MM87668;C=CC(OCC)OCOC;LXYZXHNPYGRLRA-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87669;MM87669;C=C(C=CF)CC(C)NC;RVBAREAFBSCJER-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87670;MM87670;C=C(C)C(=O)CC(N)=NC;OJZVTUQWSSNHNU-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87671;MM87671;C=C(C=NN)CC(C)NC;HPCMIAGZVZFVJE-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87672;MM87672;COCC(C)=CC(=N)NN;IBEZCLIRPMVTGH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87673;MM87673;CCCCN(C=O)CCO;QMRPBJIZVBTURS-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87674;MM87674;C#CC(CC#N)NC(C)=N;ZZHNIXCWYOJLOO-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87675;MM87675;CNCCC=C(C)CNC;UQWCVJHLADJYNW-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87676;MM87676;CCC(N)(CC)C(C)CN;UKQDNDNKPASXIV-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87677;MM87677;CCCON(C=O)CCO;UFUAZSCOIRBFOH-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87678;MM87678;C#CC(=N)N(N)C(=N)NC;UDTURXPFZAWQAT-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87679;MM87679;CCCN(C=O)OCOC;WPDXESLVWJFRFL-UHFFFAOYSA-N;147.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87680;MM87680;N#CCCC(C=O)CCO;CWNHFUFQZFFQSX-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87681;MM87681;N#CCCC(C#N)CCF;HPYVUOPPFABQFP-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87682;MM87682;C=C(C)N(OCC)C(=N)N;BAFZEKBCWZUBEU-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87683;MM87683;COCC(C#N)CNC=O;ROFRGZGDZFKYEJ-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87684;MM87684;C=CC(=N)N(N)CCCF;NPVTZDFIVBLPLU-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87685;MM87685;C=COCC(C=O)CCO;QNUUPADCSNVZIO-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87686;MM87686;C=CC(CNC)C(C)NC;GSHJVVYZBOYABK-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87687;MM87687;CC#CC=NNC=NOC;ZVUIZHSNCVFZCO-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87688;MM87688;C#CC(COCC)C(=N)N;VMXLRISCIRTIQM-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87689;MM87689;C=CN(C=COC)C(C)=N;ANTMMKYYKPKLGH-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87690;MM87690;C=CN(OC(C)C)C(=N)N;CZTWPCAGLYJONL-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87691;MM87691;C#CC(=CN)C(=NN)OC;MWFPXHPGCMJSMH-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87692;MM87692;C=CNC=NC(N)=CC#N;HYKGQQHKMNQQEY-UHFFFAOYSA-N;136.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87693;MM87693;C#CC(CCCNC)NC;WCISDTDWKFRPGH-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87694;MM87694;CCNCCC(=CF)CN;SDHMWVBZYVRSIM-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87695;MM87695;CC(F)=CNC(=N)NN;VKQYAQJOFCGPAK-UHFFFAOYSA-N;132.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87696;MM87696;CC=C(C=O)CNC=NC;YBKAAWUZRTWHMI-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87697;MM87697;CCOC(C#N)CNC=O;HPIJLSKPBQXICP-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87698;MM87698;CON=C(NCC#N)OC;CQNHSEMRLIBJHN-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87699;MM87699;COCON=CCC#N;VSJXNJFBGWKLQE-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87700;MM87700;C=CNC(=N)N(CC)OC;YGGMUWACEOZREF-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87701;MM87701;N=CNN;RFZKDTRCZMWOEI-UHFFFAOYSA-N;59.07;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87702;MM87702;CNC(NC)=C(C#N)CO;ANKFHNJFPBUPSU-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87703;MM87703;C#CC(=O)C(F)C=NNC;UJQKWNDPJKWROY-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87704;MM87704;CCNCC;HPNMFZURTQLUMO-UHFFFAOYSA-N;73.14;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87705;MM87705;CNCC1CC1;BFPMCZWKUSUMKE-UHFFFAOYSA-N;85.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87706;MM87706;COC=NNCC(=O)C=O;JMSZXNCVQCNBAI-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87707;MM87707;CC(=N)NC=CF;NDFMGMZGCSTJDI-UHFFFAOYSA-N;102.11;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87708;MM87708;C=CC(=NN(C)C)C(N)=O;UUOTZXOVMCTGDE-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87709;MM87709;C#CC(C)(O)C(=C)NC=N;PVVYBHQIGPKKEF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87710;MM87710;CC(F)CC(C)(C)N;VNSDCPLBYLLDFD-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87711;MM87711;C=CC(CCO)OCC#N;RTYPYFPRFUBGLX-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87712;MM87712;C=CCOC(C#N)CCO;WIGZKEQGDBAKKE-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87713;MM87713;N#CCOC(C=O)CCO;KDBVCUGCUZPZKJ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87714;MM87714;N#CC(CCO)OCC=O;XYKSFCBXSBHBRB-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87715;MM87715;N#CC(CCF)OCC=O;PVCMNPJOVIZHOX-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87716;MM87716;C=C(C)CCCNC;JLQHDUPAHJWBPK-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87717;MM87717;C=C(F)CCCNC;LOGCZVPJPQKCOX-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87718;MM87718;N=CNCC(=N)N(O)C=N;CYJUCDGJUFQQLH-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87719;MM87719;CN=CN=C(N)C(=O)CF;USFPEOQXVKJRSP-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87720;MM87720;C=CC(COC)OCC=O;MVBGVFWAKWSJFW-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87721;MM87721;C=CC(COC)OCC#N;XBWCXCZEZOCQPR-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87722;MM87722;COCC(C=O)OCC=O;IHHXOQYBKHFVRM-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87723;MM87723;COCC(C=O)OCC#N;JSGXPZUNCPBFMF-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87724;MM87724;COCC(C#N)OCC=O;TZUNXICKCXJYCP-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87725;MM87725;C=NOCC(=O)C#CC#N;HHYOPFYHEOSQTR-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87726;MM87726;CCOC(C=O)OCC=O;QEMROSQNUOIWLV-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87727;MM87727;CCOC(C#N)OCC#N;JTNZUGYQSAKOGT-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87728;MM87728;C=CC(OCC)ONC=O;LRLNAWRPOUFDGH-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87729;MM87729;CC(=O)CNC(N)=CC#N;UGZURQYWXNJWGU-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87730;MM87730;C=CNC(C#N)=NNC;QRHDNQYKWDKUMG-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87731;MM87731;C=C(C)C(C)CNC;MUXLNBGIOQFVHG-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87732;MM87732;CC(=N)N(C)CC#N;JJUZGPJBXMKCIQ-UHFFFAOYSA-N;111.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87733;MM87733;CNN=C(C)OC=NN;XJJPDMCOMRHGIQ-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87734;MM87734;C=C(OC=O)C(=N)N;GZCPXCNPOHPIGK-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87735;MM87735;C#CC(=N)NCCC;ZNLQVZMXHZLJFZ-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87736;MM87736;CNCCCC=NN;XBRDAAXUYLNIMU-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87737;MM87737;CCON(C=O)CCC#N;LBXMUEUPHVATEI-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87738;MM87738;CNCC(C)C=C(C)F;DYVVTMVGGGIAAX-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87739;MM87739;CC(C)(CF)C(=N)NN;XNWJLNQXUKMYQQ-UHFFFAOYSA-N;133.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87740;MM87740;CCCN(C=O)OCC=O;HPYPLMDYSSGPGB-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87741;MM87741;CCCN(C=O)OCC#N;AUCZPCNFEHCPKJ-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87742;MM87742;N#CCON(C=O)CCF;FCZAFPKNBNBYBY-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87743;MM87743;CCC(C)(N)CCNC;MXHGGMXIJYQETD-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87744;MM87744;CNC(C)C(C)C(C)N;MJFWMVUQOBUIAY-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87745;MM87745;CC=NOC(=NN)OC;QPOYOXGJHPMOST-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87746;MM87746;C#CCOC(C=O)CCF;OKAHRZGULQRPCH-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87747;MM87747;CCNCC(C)C(C)N;PWVASEJFXHLGHU-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87748;MM87748;C=C(CN)CCNCC;NJKXUHDOKHIQNJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87749;MM87749;C#CCOC(C=O)COC;ZJLJLDFYFHRXIB-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87750;MM87750;C#CCOC(C#N)COC;IDVGYXBEWATEDY-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87751;MM87751;C#CCOC(C=O)OCC;ZIQJVIXODRZEJF-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87752;MM87752;C#CCOC(C#N)OCC;RPQVPYZUMRBBAV-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87753;MM87753;C=C(C#N)CCCNC;BNULCHJCQBLPHG-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87754;MM87754;C#CC(=C)CCCNC;NWAZAOFGDFPSGJ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87755;MM87755;C#CCON(C=O)CCF;XYMRMOOJNGTBTK-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87756;MM87756;N#CCC(C#N)CCCF;PUXGZEBCOJPRMM-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87757;MM87757;CC(=O)OCOC=NN;LWEIQHIFANXWSP-UHFFFAOYSA-N;132.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87758;MM87758;COCCC(C#N)CC#N;NZPICVCKIHWPQZ-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87759;MM87759;COC(CCF)OC=NN;FPFBALYQZFPNAF-UHFFFAOYSA-N;150.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87760;MM87760;CCNN=C(CF)C(C)O;HJKGNEUHYRWXBK-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87761;MM87761;CNCCCC(C)=CF;FEHDTUNDRYSTIE-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87762;MM87762;CNCCCC(C)=NN;DHXYDZOPDKCGDB-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87763;MM87763;CNC(=O)N(N)C(N)=O;KXIIGMVGPQSSRN-UHFFFAOYSA-N;132.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87764;MM87764;C=C(COC)C(=N)NN;IJQGDOYJQDKDNN-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87765;MM87765;NC(=O)N(N)C(N)=O;XHYWZUWPPUQDDR-UHFFFAOYSA-N;118.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87766;MM87766;CNCC(C)C(C)=CF;NPVLFTWGJOGHGJ-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87767;MM87767;C=CC(CCF)CNC;GTQHSUKRNQCXKT-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87768;MM87768;CON=CNN=C(C)CO;LJIXKYKRLPNHIW-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87769;MM87769;CC=CN(CC)C(=N)CO;PSKXFZNUEPAKMH-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87770;MM87770;CCOCC(C#N)NC=O;BVSICFXGXPEWCB-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87771;MM87771;C=C(C)C=CNC(=N)CO;NEWIFXFGJVXRPV-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87772;MM87772;C=COC(C#N)CCCO;OOYVFAHALKQZPW-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87773;MM87773;CC(C)(N)CC(C)(F)CN;BFVXKVFUSLOGFP-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87774;MM87774;CCC=C(C)NC(=N)CO;HXEUGEVEWZBLQZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87775;MM87775;CN=CNCC(O)C(C)C;XBSBNVKCGWQAJK-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87776;MM87776;C=CC(CNC)C(C)(C)N;OBHWAFOKVYZXAY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87777;MM87777;CN(O)C(CF)=NC=N;IJYQIDHJGNTSMD-UHFFFAOYSA-N;133.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87778;MM87778;CC(N)(CC=CF)CCF;XQQMDGRVUDMWPZ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87779;MM87779;COC(=NN)NN=CCO;HITYNMYEJICJFH-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87780;MM87780;C=CCC(C#N)OCCO;ZBDKEXLHIZFQJG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87781;MM87781;CCCOC(C#N)CC#N;IWOWHHBTDUENSD-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87782;MM87782;N#CCC(C=O)OCCO;DNKGWLULOOGXIX-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15870;MM15870;O=CCC(C=O)OCCF;QIAKWIOOSZOWSB-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87783;MM87783;C=CC(CC=O)OCOC;JENJCDMIPKCIPW-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87784;MM87784;COCOC(C=O)CC#N;CFJNUEXYANPVGU-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15900;MM15900;COCOC(C#N)CC=O;LUEPJLGGEAUTDG-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87785;MM87785;COCOC(C#N)CC#N;ZQBXQXZLUFIRRB-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87786;MM87786;C=CC(OC=O)OCCO;MMDBAIQDUKVHAY-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87787;MM87787;C=COC(C=O)OCCO;SGAWMVWSVUPJEK-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87788;MM87788;C=COC(C#N)OCCO;WYKLRMINYOLDMN-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87789;MM87789;C=COC(C=O)OCCF;AVCZVRNHACFERX-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87790;MM87790;C=C(C=NN=CNO)OC;ONJJECGBCUULLB-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87791;MM87791;CC(N)CC(F)CCCN;BTGXNNQRRSVOMV-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87792;MM87792;CC=NOC(=O)CCO;CHPQQPQEGDQBOE-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87793;MM87793;C#CC(C)(N)CCCNC;QCDJYULRAHVKPR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87794;MM87794;C#CC(CC(C)N)C(C)N;GZLMOVVMXYLELJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87795;MM87795;C=C(F)C(CN)CC(C)N;HOMYERTVARSGDI-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87796;MM87796;C=C(C=NN)CCCNC;HRELDIWZFOJBEQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87797;MM87797;C=CCCNC(=N)N(C)O;AMMDUFFRKIBMGT-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87798;MM87798;CNCCCC(C)=NOC;PZZGUGTVVIZNOC-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87799;MM87799;C#CC(=CF)N(C)C(=N)N;HYKCBAMYJNOTME-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87800;MM87800;CNCCCC(C)=C(C)F;QOJXPIBESWQINZ-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87801;MM87801;CNCCCC(F)=C(C)C;ARQWFHQQUOULLA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87802;MM87802;CNCC(C=CF)C(C)C;AKQVWZUPPCOCEN-UHFFFAOYSA-N;145.22;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87803;MM87803;C=CCN(C=O)OCCF;XIUFKWWNKPOZTO-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87804;MM87804;CCCON(C=O)CC=O;CPHRDDWHMXKART-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87805;MM87805;CCCON(C=O)CC#N;KVVCYNLWCKYGPE-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87806;MM87806;N#CCN(C=O)OCCF;DROKNSZIZDJTKD-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87807;MM87807;CCNN(C(C)=N)C(C)C;WSZQJQSLKCDNHL-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87808;MM87808;C=CCN(C=O)OCOC;RUQNOPXGIQOABN-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87809;MM87809;COCON(C=O)CC#N;BWNWGAMWWYLVIH-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87810;MM87810;N#CCCC(C#N)CC=O;VJSZRSSGQKIHHF-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87811;MM87811;N#CCC(C#N)CCC=O;USTZHTAGUHYXSK-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87812;MM87812;C=CC(CC#N)CNC=O;KNBICRSRNDKCHS-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87813;MM87813;C#CC(C)=NOCC=O;OSXRXHUKZVMUNH-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87814;MM87814;C=CC(OC=O)OC=NN;OSRNERIYLMHMJA-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87815;MM87815;CC=CN(CC)C(=N)NO;HVDIYFJYUXCZNY-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87816;MM87816;N#CCC(C#N)CNC=O;XPSZPPDRXWRASQ-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87817;MM87817;C=CCC(O)CNC=NC;IUTHOYDITGSFER-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87818;MM87818;C=CC(=CC(C)O)NC=N;LYTIAMYLTFWRGP-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87819;MM87819;C=CC(CC=O)COC=O;UABYETFZZADNHV-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87820;MM87820;C=COCC(C#N)CC#N;LJLRTIVYERQTIU-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87821;MM87821;N#CCC(C=O)COC=O;CPIHNINDOXJGAX-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15761;MM15761;N#CC(CC=O)COC=O;SFTIWQMYNPMPRH-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87822;MM87822;C=NN=COCOC=NN;CEIJWWFAPPTWGX-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87823;MM87823;C#CC(=O)C(=O)N(C)C=N;KSIASVZXNDIIEW-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87824;MM87824;CNCC(CF)C(C)CN;FEGBNJNWFROJJD-UHFFFAOYSA-N;148.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87825;MM87825;CNN=C(CC=O)OC;XRAUARVZIZIJDI-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87826;MM87826;N#CCCC(C#N)NC=O;GHXJHCAKJMXTIL-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87827;MM87827;C#CCN(N=C)C(=O)CO;XVHVTCDONMYPNQ-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87828;MM87828;CNN=CN(N)C(=O)CO;RZKUNQYAQCPGRH-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87829;MM87829;C=CC(CNC)C(C)CF;PMGZFTOTADYLSZ-UHFFFAOYSA-N;145.22;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87830;MM87830;C=CNC(=O)N(N)C(N)=O;VBFOQVFXRXRWQO-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87831;MM87831;C=COCC(C#N)NC=O;RDYUJTWWBCBZOH-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87832;MM87832;N#CCCC(C#N)OC=O;GWMFFGATQNRFOE-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87833;MM87833;C=CCN(OC)C(=N)NC;ZCOOOYAUHPPNAI-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87834;MM87834;CC#CC(CN)CCNC;MFVGZLUHJZKTFJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87835;MM87835;C#CC(C#CCO)=NNC;VJIZYEPRUKTKCU-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87836;MM87836;C=COCC(C#N)OC=O;SBEAWTHTYLXUBQ-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87837;MM87837;N#CCC=C(CF)NC=N;RXNPOVLQJUMCNN-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87838;MM87838;CNC(=N)C#CCCCO;XMILJQNWBXAJNG-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87839;MM87839;CC(C)(O)C(CF)=NN;SJOJNEDWHSYKFO-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87840;MM87840;CNN=C(CO)N(N)C=O;UDACXVPGTYKDQS-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87841;MM87841;CC(O)C(=NN)C(C)F;JYZQNJSNIQGXCZ-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87842;MM87842;COCON=C(C)CO;XNTUHUKTTKOALX-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87843;MM87843;C=CC(CC#N)OCC#N;GUSCVDOJEQPUIH-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87844;MM87844;C=CCC(C#N)OCC#N;CDOZMNKQTRJHFY-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15859;MM15859;O=CCOC(C=O)CC=O;MGTABUKGTQYZMV-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15842;MM15842;N#CCOC(C=O)CC=O;GAMCFEUQDJTSEU-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87845;MM87845;N#CCC(C=O)OCC=O;HCRWYJNODRJJOZ-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87846;MM87846;N#CCOC(C#N)CC=O;KKXKJRRQIHGXEJ-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87847;MM87847;N#CCC(C#N)OCC=O;WHEQABPUCBOSMM-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87848;MM87848;N#CCOC(C#N)CC#N;UIQOETZPOOADEQ-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87849;MM87849;N#CCOC(C=O)CC#N;OPPSTPHXLNGUDL-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87850;MM87850;N=C(C=O)N(O)CCF;FTKMYEFDTAAFGW-UHFFFAOYSA-N;134.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87851;MM87851;O=CCC(C=O)ONC=O;CIOGNQNFEGUERA-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87852;MM87852;C=COC(C=C)OCC#N;CYVFASHNVXKIBW-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87853;MM87853;C=CC(OC=O)OCC#N;JXTPEINYMWJHLH-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87854;MM87854;C=COC(C=O)OCC#N;UZQRBXAIZYGPPC-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87855;MM87855;C=COC(C#N)OCC#N;FURZFQIVOWJING-UHFFFAOYSA-N;138.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87856;MM87856;C=CCOC(C#N)OC=O;HEBCBRZNHGZSEL-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87857;MM87857;N#CCOC(C#N)OC=O;UXAWINUCLMTBPN-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87858;MM87858;CCC(C(C)N)C(C)NC;GXARJYSUMBUCAY-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87859;MM87859;CC=C(C#CC#N)C(=N)N;XIXAKKXKSOUPHC-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87860;MM87860;C=COC(C=O)ONC=O;UYXKQRWUVSXUGP-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87861;MM87861;C#CC(=CC=NN)C(=N)N;BNVIYQXCJRYTEV-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87862;MM87862;CCC(=CF)CCCNC;BKVXTWSSYAYPMX-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87863;MM87863;CCC(CCCNC)=NN;BUAORSAKNIKVAL-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87864;MM87864;NN=COC=C(CO)CO;YBJYWBQRNBPIAT-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87865;MM87865;C=C(CO)C(=O)ON=CC;UNPRXPFZVPZBCZ-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87866;MM87866;CNCCCC(CF)=NN;NYDDTZSWAQVREP-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87867;MM87867;CNCCCC(C#N)=CN;QNPVRYHRVKHMPR-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87868;MM87868;C=CC(CCCNC)=NN;MNSACUNGHCWFRC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87869;MM87869;C#CC(=CF)CCCNC;BMBAJSHLUAPDCG-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87870;MM87870;C=CCCNC=NCCN;UJLIKUFENJXBQR-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87871;MM87871;CNC(C)C;XHFGWHUWQXTGAT-UHFFFAOYSA-N;73.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87872;MM87872;C=CCN(C=O)OCC#N;GOIMPDNRWVPYJU-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87873;MM87873;C=CCON(C=O)CC#N;BYKNUUYWMHUSFM-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87874;MM87874;O=CCON(C=O)CC=O;HENXOWUATLDRSZ-UHFFFAOYSA-N;145.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87875;MM87875;N#CCON(C=O)CC=O;OELNHQFQLCAIEC-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87876;MM87876;N#CCN(C=O)OCC=O;QGNVJQPUQRUKPZ-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87877;MM87877;N#CCON(C=O)CC#N;HWESPFGEPYPYQL-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87878;MM87878;CCCNC;GVWISOJSERXQBM-UHFFFAOYSA-N;73.14;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87879;MM87879;C#CCCC(C#N)NC=O;JUDOKQMCGQTXGS-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87880;MM87880;CN=C(C=O)NN=CCO;DSAOFMRHNSRQEW-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87881;MM87881;N#CC(C=O)NCC=O;BGQXCRSQGMNKSQ-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87882;MM87882;CC(C)(N)CCF;RITZSPXTPJXSQS-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87883;MM87883;C#CCOC(C=O)CC#N;XUERTZHSGUFGCE-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15838;MM15838;C#CCOC(C#N)CC=O;GAHPQXOQRYZPOM-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87884;MM87884;C#CCOC(C#N)CC#N;UCDLYVLZIQNRHY-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87885;MM87885;C#CCOC(C=O)OC=C;QKFJIXDFXKYKJW-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87886;MM87886;C=CN(C)C(C#N)=NNC;HSNLIYDGONBUQK-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87887;MM87887;C=CC(C)CNC;LZSVHJVHJDQSQF-UHFFFAOYSA-N;99.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87888;MM87888;C#CC=NNC(C)=CC#N;NCTFOULJEZULTF-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87889;MM87889;N=C(CCF)NN;MGTLWKPEIBFGJK-UHFFFAOYSA-N;105.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87890;MM87890;N=C(N)C(=N)NN;HKCQSUIAXVRLKV-UHFFFAOYSA-N;101.11;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87891;MM87891;CCNCCC(C)(C)N;BXVCTVNOMCANRL-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87892;MM87892;CC(C)(C=NN)NC=N;NZBGGXVWABBRQW-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87893;MM87893;C#CCON(C=O)CC=O;KAVCFLZOELZHMG-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87894;MM87894;COC(CCF)=NN;OWGLNPGHOUCZEN-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87895;MM87895;C=C(CCN)CC(C)N;GXEAXZGLDGJPGD-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87896;MM87896;C#CCC(C#N)OCCO;CSMLXJWULBDIOL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87897;MM87897;C#CCC(C=O)OCCF;JLGZJMTVNCRXHO-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87898;MM87898;C#CCC(C=O)OCOC;DPEKJEKDPBOLKZ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87899;MM87899;C#CCC(C#N)OCOC;DOBNQHWPXHBJLZ-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87900;MM87900;CNCC(C)C=C(C)C;WPQZPVQOGIXCIX-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87901;MM87901;C=C(CN)CC(C)NC;GYAZWCUMEISXKA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87902;MM87902;C#CCN(C=O)OCOC;CAWPOFHAKZTJMW-UHFFFAOYSA-N;143.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87903;MM87903;C#CCC(C#N)CNC=O;VKMZAFVPBHGDES-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87904;MM87904;C=NOC(=O)C=NN;YLFXBMXNQQRECX-UHFFFAOYSA-N;115.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87905;MM87905;C=C(COC)N=CNC;ZWQRWEGSNXQASO-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87906;MM87906;C#CCC(C=O)OCC=O;PPYJWLNLNLDNOA-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87907;MM87907;C#CCC(C=O)OCC#N;AUQCCOGMHCNOKL-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87908;MM87908;C#CCC(C#N)OCC=O;STJQOUMVSUPKII-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87909;MM87909;C#CCC(C#N)OCC#N;XFHWOBRNIJODBR-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87910;MM87910;CON=CONC(=N)C#N;GWKGDYLMFKCHAK-UHFFFAOYSA-N;142.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87911;MM87911;C=CC(C=C)C(C)NC;FLHPOCVKVCORLV-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87912;MM87912;C#CC(CN)CCNC;IOVFIYKGRUNTAL-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87913;MM87913;CCCNCCCNC;LAODUQWLGGBAKR-UHFFFAOYSA-N;130.24;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87914;MM87914;CNCC(F)CC(C)(C)N;VDYSYDANZGSTTL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87915;MM87915;COC(C)(C)CC(=N)NN;YBFGKXNPSVTKLM-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87916;MM87916;C#CCON(C=O)CC#C;NNXBFSKOTFRRMQ-UHFFFAOYSA-N;137.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87917;MM87917;CC(CF)C(C)(N)CCF;VKRNFTHOWJHEDJ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87918;MM87918;C#CC(CCF)CCCO;XAFISBDUTLBTGG-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87919;MM87919;C#CCC(C)(N)CCCN;MRTYJJCCASOTCE-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87920;MM87920;CCC(N)(CCF)CCF;HIQLCTQPTAGWIO-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87921;MM87921;CNCC(C)C=C(C)CF;NIKXEBRUAVJLSN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87922;MM87922;N#CCCNC(=N)NC=N;QZLWLTNTXKATMS-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87923;MM87923;CN(C)C(=N)C(=N)NC=N;KJEQTVUPANIYIZ-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87924;MM87924;COC=C(C(=N)N)C(C)F;OASHBPBCAFWHQR-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87925;MM87925;CCC(N)C(C)C(C)NC;MUWYLYDBRJSQIJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87926;MM87926;CNC(=N)C#CCC=NN;SCFIEWHUAFIIRW-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87927;MM87927;C=CC(CCNC)C(=C)F;ZNZXRAYHXZYTKV-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87928;MM87928;C#CC(=O)ONC=NOC;BEFHZQUPACMJEV-UHFFFAOYSA-N;142.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87929;MM87929;CN=CNCCF;MLZVQUREOLBWBV-UHFFFAOYSA-N;104.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87930;MM87930;COCCC(C)(C)N;UOTJBZGEOWJGED-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87931;MM87931;C#CC(COC)OCCO;RKHZNTAWAMJJAZ-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87932;MM87932;CNCC(C)CNC;GDJIVWPKHAWKIO-UHFFFAOYSA-N;116.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87933;MM87933;C#CC(OCC)OCCO;JNCAQTXHCHVNSJ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87934;MM87934;C#CC(OCC)OCOC;ODWCUVNEZKYRSB-UHFFFAOYSA-N;144.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87935;MM87935;CNN=CC(F)(C=O)C=O;SWPKNHWXNGLNQH-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87936;MM87936;CC(C)(N)CCOC=O;ZCEDKLQIRUOUMX-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87937;MM87937;C#CC(CCF)CNC=O;CUXIMHFPBBVOMG-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87938;MM87938;CNN=C(CF)COC;CDDMNQYSGYOEPQ-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87939;MM87939;CC(N)CC(CN)CF;DMWVZPJROMJEOY-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87940;MM87940;C#CC(CCO)COC=O;GNFSVUGEOHABFE-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87941;MM87941;C=CC(=C)N(N)C(C)=N;IUGSPMMHAGSHDH-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87942;MM87942;CC(N)C(CF)CCN;BGMNRUBXNIPYNM-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87943;MM87943;C=CC(C=C)CCNC;OGCMXJDIBSEFOH-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87944;MM87944;CCCN=C(NN)NC=N;CCNRWOBODLVVQE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87945;MM87945;C#CC(CCO)OCC#N;IBZZBGCHZXUJEL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87946;MM87946;COCOCCC(C)(C)N;MCUQGOAZXVMAKM-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87947;MM87947;C#CC(COC)OCC=O;PSUQXBWWRJFIJX-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87948;MM87948;C#CC(COC)OCC#N;XJJYFEUQWJGXLV-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87949;MM87949;C#CC(OCC)OCC=O;CRDMYAMMHXFOKW-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87950;MM87950;C#CC(OCC)ONC=O;KGZIYRLAWWLPNB-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87951;MM87951;C=C(CCCN)CC(C)N;KWPBRXIXAOGZLZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87952;MM87952;CN=C(NN)NC=N;WELLPSRHOOJTCO-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87953;MM87953;C=NNCC(=N)NC(C)C;BAPGPDRCYLKJEO-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87954;MM87954;C=C(OC(C)C)C(=N)NN;WFGPJSCDABUYSC-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87955;MM87955;C#CCOC(C#C)CCO;DDICHHIQESXXMD-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87956;MM87956;C#CC(CCN)CC(C)N;KMXLFLFCAMWBFW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87957;MM87957;C#CCOC(C#C)COC;BJVQBBYXRXZRAK-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87958;MM87958;C#CCOC(C#C)OCC;PSFYNSAIXLJSMI-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87959;MM87959;C=NOC(C)CNC=NC;JYVSFWWCHXCZPB-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87960;MM87960;C#CC(=NN)C(=C)C(=N)N;GISWPOFVNRFKSY-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87961;MM87961;C#CC(CCCF)NC=O;VDYBJXUTMHEZAT-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87962;MM87962;C#CC(C)(CN)CCNC;WGXJOEAPGCJBKA-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87963;MM87963;CC#CC(C)(N)CC=NO;DCMNULLZDDDUOI-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87964;MM87964;C=CC(C)C(=N)N(C)NC;YOOUANNFIQXROW-UHFFFAOYSA-N;141.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87965;MM87965;C=C(CN)CCCCNC;IITFNBFFAIOWMC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87966;MM87966;CNC(CCF)CCCN;RYLCAGBGJSNDQN-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87967;MM87967;CCNCC(CF)CCN;OTYDAGTYXIMLHT-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87968;MM87968;C=CC(C=NN)CCNC;PABRUVACCJJIDP-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87969;MM87969;CC(N)C(CF)C(C)CN;XXJFLHKNBDTRIS-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87970;MM87970;C#CC(CC#N)OCCO;MNLOCJWVVMWIHV-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87971;MM87971;C#CC(CC=O)OCCF;JTPNIPBUUPZEKS-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87972;MM87972;C#CC(CC=O)OCOC;IJJNMEYDIJPKRZ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87973;MM87973;C#CC(CC#N)OCOC;PLJCASQZKMNJDI-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87974;MM87974;CN=C(COC=NO)NC;MDZKTDJDDUTHMK-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87975;MM87975;C#CC(OC=C)OCCO;SFJNPVFCHCMOCV-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87976;MM87976;C#CC(OC=C)OCOC;WEAQWWBARWRPDM-UHFFFAOYSA-N;142.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87977;MM87977;C#CC(CC#N)CNC=O;KGDMVBXHYVFKQJ-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87978;MM87978;C#CC(CCC#N)NC=O;KWTRLWHHYCSHTO-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87979;MM87979;CC(N)C(CF)CCCN;MKPOXGFKHRFLKS-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87980;MM87980;CC(C)(F)C(CO)=NN;WGRGENYZWDLIJE-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87981;MM87981;N#CCCC(=CF)C(=N)N;LBOCSGFJXXBOPY-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87982;MM87982;C=CNC(=N)C(=NC)NC;YVKCCQGJOPIGCI-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87983;MM87983;NCCCCNCCCF;JUGPUOGZSGQOPG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87984;MM87984;C=C(C)CCNC(C)C;IOTODINQKFEGKN-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87985;MM87985;C=CC(CN)CC(C)N;UVVDKJZDTOTEIY-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87986;MM87986;C=NN=C(NO)ON=CC;BEWNNBNVTXOFKV-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87987;MM87987;C#CC(CC=O)OCC#N;HMDPCXHPQHMZFK-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87988;MM87988;C#CC(CC#N)OCC#N;BBTHKHBWDNXRTR-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87989;MM87989;C#CC(OC=C)OCC=O;NIMOBIIFHFLCNA-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87990;MM87990;C#CC(OC=C)OCC#N;YFEVIQCFKSXEPX-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87991;MM87991;C#CC(OC=O)OCC#N;QUHGWXMGGJJYDD-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87992;MM87992;CCN=C(C=O)N(C)O;ICTXGLKFMCOTIB-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87993;MM87993;C#CC(OC=C)ONC=O;BOLIGHUFAHTHLG-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87994;MM87994;CCN=C(N)C=CC=O;FBMSMMKAUIOKRA-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87995;MM87995;CNC(=N)NC=CC#N;FBHSJBXPFJSEPC-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87996;MM87996;C#CCOC(C#C)CC#N;SKXRNCGJAJDSSR-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87997;MM87997;C#CCOC(C#C)OC=C;VNQNVIPBVDIFEW-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87998;MM87998;C#CCOC(C#C)OC=O;VRYQVUZUXJAFFO-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM87999;MM87999;C=CCC#CC(=N)NC;FLMCNDPSHPWFAY-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88000;MM88000;C#CC(F)C(=C)NC=N;YFUNJBNXYSSJKB-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88001;MM88001;C#CCC(C#C)OCC#N;GPAPVJKFLFTJFF-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88002;MM88002;C#CCC(C#C)ONC=O;YVYIHVKCNTYEMC-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88003;MM88003;CON=CC=NN=CCO;PFKJUWJDDPMTAE-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88004;MM88004;OCCC(CF)CC=NO;JKVKYYRALMIONV-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88005;MM88005;CNC(CCN)C(C)C;ASCIOLSXUDGMFM-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88006;MM88006;COCC(CO)CC=NO;TYMURAKBNBFZKJ-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88007;MM88007;CN=CNC(C)C(C)(C)N;SKQHIAGXNGBFEF-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88008;MM88008;CC(F)(C=O)C=CN=CN;JXAJTYZWHLCCLG-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88009;MM88009;C=C(CCN)CCC(C)N;TZMVSMXLGBYZRP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88010;MM88010;CCNC(C#N)C(=O)OC;HSSGWNADWBDSOA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88011;MM88011;CNCC(C)CC(F)CO;RDCCWGQKNQONHB-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88012;MM88012;COC(CC=NO)CCO;UFYCYFOQXWXSEW-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88013;MM88013;C=C(CNC)CC(C)NC;JWMLFZLOOBQBLK-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88014;MM88014;COCC(CC=NO)OC;HCGCNKFGLXKHKI-UHFFFAOYSA-N;147.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88015;MM88015;CCOC(CC=NO)OC;PPOGACXCTMOEEO-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88016;MM88016;CC=NN(CC=O)C(C)=O;QNIJVLWUYPSWQS-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88017;MM88017;CNN=C(C)C(C#N)C#N;GXFKGFTZEGLHTJ-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88018;MM88018;NN=CC(CCO)=C(F)F;NKNNHLBEWMHKNU-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88019;MM88019;C=CCCN(O)C(=N)NC;SJWLZHHQDKQRFY-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88020;MM88020;C=COC(CO)C(=N)N;KWZMSBXQAWMTLU-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88021;MM88021;C=CC(CNC)CC(=C)C;HMXQOLIMLWGDQJ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88022;MM88022;CC(N)CC(C=CF)CN;DXMFZUPQBKEGKI-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88023;MM88023;C=C(CCNCC)CNC;SIZRBOJTWTXBMB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88024;MM88024;C=CC=CNC(=N)COC;SIGJJSMAUIMFQS-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88025;MM88025;C=C(C=NN)C(C)CNC;GCFCHQJXPFOTPI-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88026;MM88026;C=CC=C(C)C(=N)NNC;NMEIIERGNIOVLT-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88027;MM88027;CC=COC(CO)COC;BONSFGXQDHEUJB-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88028;MM88028;COC(CCO)OC=CF;FXBZNGQSLXHCED-UHFFFAOYSA-N;150.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88029;MM88029;CN=C(N(C)C)N(C)O;HANHXKBWVKUTDD-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88030;MM88030;CNNC(=N)C(N)=CC#N;CILIKBVZTDIDAV-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88031;MM88031;C=C(CCN)C(C)C(C)N;ACCPIHJSSVUDGW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88032;MM88032;C=C(C)C(CCN)C(C)N;LZOQZMUIEZHKNO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88033;MM88033;CCC(N)(CC)CCNC;UDZFEGOYTOHDHK-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88034;MM88034;C=CC(C=C)(C=O)C(=N)N;HBLMHMQKAJGFSO-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88035;MM88035;COC(CC=O)CC=NO;NJBRMMJHIBSXSM-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88036;MM88036;CCCCNC(=N)N(C)O;RATZQKXMOASFKO-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88037;MM88037;C=CC(F)C(C#N)=C(N)N;IWAGDMXEJFJSJW-UHFFFAOYSA-N;141.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88038;MM88038;CC(N)CCC(CN)CF;AURHJVNIYHYMEE-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88039;MM88039;CC(C)(O)C=CC(=N)NN;GADAXHLSWQANQE-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88040;MM88040;C#CCNN=COCC#C;KLSRWYIPLQLSQD-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88041;MM88041;C=C(CN)C(C)CCNC;BXLYTKFRWXUFNI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88042;MM88042;C=COC(CC=NO)OC;MTCRYXFHEZRHMB-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88043;MM88043;CCNC(=N)C(CF)OC;JDJFBMVDJKAMGJ-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88044;MM88044;N#CCC(CF)OC=NO;ZOZWTUKBMPLIEU-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88045;MM88045;COC(CC#N)OC=NO;ULGBHTZJGGJRFM-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88046;MM88046;C#CC(=NNC)N(N)C=O;LELUOEJLDXQLFK-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88047;MM88047;CNCC(C)C(=CF)CN;LHZBWGWOFBMACM-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88048;MM88048;C#CC(=NN)N(N)C=O;YVINHAWTMBHCJY-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88049;MM88049;CCN(CC#N)CC=NO;NGFVPCYDOYWEKT-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88050;MM88050;CNC(C)CCCF;ZPHMDDDDYUZQCA-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88051;MM88051;CCC(=CF)C(=N)N;BDMVRUGRWBSQRU-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88052;MM88052;C#CC(C)(C#C)OC=NN;NANFMIXNSRWFCH-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88053;MM88053;CNC(=N)C#CC(C)C;ORGVVWWCKNJAGZ-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88054;MM88054;COCC(C=O)CC=NO;GXXBTFAQNLCWCN-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88055;MM88055;C=CCC(N)CCCN;BDEODMHFVYPMJI-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88056;MM88056;C=CC=CC(=N)NNC;LEKIYTWBHKMMQD-UHFFFAOYSA-N;125.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88057;MM88057;C=C(OCC)C(=N)NN;CINTWJOWPPPIIF-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88058;MM88058;N=C(CC=O)NC=CCF;WDHAPLPPKJCYSJ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88059;MM88059;C=CNC(=N)NOC(C)C;RXLASPWRICFQNW-UHFFFAOYSA-N;143.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88060;MM88060;COC(C=NN)=NN(C)C;IPIFKSAXNZVFSW-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88061;MM88061;CCC(NC)C(C)CN;CMKMPHHTFSJZIN-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88062;MM88062;CNC(=NN(C)C=O)OC;SHBKOHLXVSKLOC-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88063;MM88063;N=CN(C=N)C(=O)C=CN;FPNNIYLLPRUJLH-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88064;MM88064;CC=COC(C#N)CCO;IMHNFCVNKFWHLD-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88065;MM88065;N#CC(CCO)OC=CF;IIDOKQKENILVQH-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88066;MM88066;COCC(C#N)OC=NO;AYDUGLXEWZOFOO-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88067;MM88067;CCCN=C(CN)NC;GREMBURQNKIMHO-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88068;MM88068;CC(F)=C(C)CC(C)(C)N;FNFMXVLPSPUARQ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88069;MM88069;CCOC(C#N)OC=NO;VFIAFVVMGTYLPS-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88070;MM88070;C=C(CCNC)C(C)(C)N;GBDVLQDVKQGOQU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88071;MM88071;CC(N)(CCF)CCCF;WWUAXBUNDWVTQJ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88072;MM88072;CON=C(C=C(C)F)CO;BWDMMQBDKVGRHH-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88073;MM88073;C=C(C)CC(N)CCCN;RISKJEMCWJOXTF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88074;MM88074;CCCN(C=O)CC=NO;HZQKEMCPTJPFAQ-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88075;MM88075;C=C(CC(C)NC)C(C)N;XGGDVEWDWRJAGX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88076;MM88076;C=NNC(C#N)CC=NO;UVUJGYQOOWEXLM-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88077;MM88077;CC(C)N=CNC(=N)NN;RKBLQEXSBHDYDB-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88078;MM88078;C=CCC(C#N)NC=NO;RCTCIMKBSSSXOV-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88079;MM88079;CC=NN=CC(CO)=NN;NCDFAVGWDYAJJQ-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88080;MM88080;CC=COC(C#N)CC#N;FUXNMYUZLJEYDK-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88081;MM88081;N#CCC(C#N)OC=NO;GVCOKBWSMQFJLC-UHFFFAOYSA-N;139.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88082;MM88082;CC=CC(C)NC(=N)CN;PXUHLVAHDGKLBJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88083;MM88083;C=COC(C=C)OC=NO;MZOOEHDYPOWTOE-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88084;MM88084;CC(C)N=C(NN)NC=N;RQFGUHZVXDNQDV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88085;MM88085;C=COC(C=O)OC=NO;FETITBSDQVLJFX-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88086;MM88086;C=NOC(C=O)OC=NO;XQDAFWCYGWTSSD-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88087;MM88087;C=CN(N=C)C(=O)NCC;GFJKMUNBBJMPAU-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88088;MM88088;CC(N)CC(CF)CCN;HXAZWXZYAPCCFA-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88089;MM88089;C#CCN(N=C)C(N)=O;YPOWXTACWGHZFW-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88090;MM88090;C=CC(CCN)CC(C)N;POKHCDYHPADHSZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88091;MM88091;CNN=CC(=NN)OC;RWZBUTXUZKWVPK-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88092;MM88092;CNCCCC(F)=CCN;YRYZBJNENMGCHL-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88093;MM88093;CNCCC=C(F)CCN;YXKPTCRRHOSWQV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88094;MM88094;CC(CCN)C(N)CCF;URLCCGRGTPACEK-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88095;MM88095;C=NN(CC#N)CC=NO;CBXNXHHLWPTFNV-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88096;MM88096;C=CCN(C=O)OC=NO;USBZOBJFDSPOHT-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88097;MM88097;N#CCN(C=O)OC=NO;DEINQDRIVCMHLZ-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88098;MM88098;C=C(CCNCC)C(C)N;IUCUIXRVOJJXKB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88099;MM88099;C#CCC(C#N)NC=NO;PFNXWODWUWJULM-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88100;MM88100;C#CCC(C#N)OC=NO;ZWBOZHJKKQUUCK-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88101;MM88101;CNN=C(CCF)OC;CWEVQHDNUFCEIX-UHFFFAOYSA-N;134.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88102;MM88102;C=C(C)C(=N)N(N)CCC;DJTNGYKFEINEQQ-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88103;MM88103;C#CCN(CC=NO)N=C;WZQJXMOHCPFSBE-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88104;MM88104;C#CCN(C=O)OC=NO;RBILCOOKQCZITQ-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88105;MM88105;CNCC(CNC)C(C)C;ABNSJFOYUUEFII-UHFFFAOYSA-N;144.26;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88106;MM88106;CC=CC(CCN)C(C)N;JFJIQIKPCGFZAM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88107;MM88107;C#CC=C(C)OC=NN;BATVYIRTROGBOA-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88108;MM88108;CCC(C)(CN)CCNC;OYGCPEOHYKEHSF-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88109;MM88109;C=CC(CN)CCC(C)N;ACLCTAZKAPCLMG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88110;MM88110;C=CC(N)C(C)CCNC;HMOZQCPKTXWGOU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88111;MM88111;C=C(OCCC)C(=N)NN;YRFRFNBZXJPCNT-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88112;MM88112;CC=C(OC=NN)C(=N)N;IKBMAVUTDQJNGL-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88113;MM88113;C=NOC(=O)CC#CCO;KGRRERGRYRBYKQ-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88114;MM88114;C#CC(CCO)OC=NO;QGXULHWMZRKRPO-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88115;MM88115;C#CC(COC)OC=NO;XNEGGMRLICOVCD-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88116;MM88116;C=CN=C(NC)C(C)NC;XEQMOUFLAXOTAA-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15407;MM15407;C#CC(CC=C)CC=NO;GKQOWPMNXRWJTK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88117;MM88117;C#CC(=CNC=N)CC#N;CHYLUMNXCMZSPS-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88118;MM88118;C=CC(CCCN)C(C)N;NDULPBRNKCDWBB-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88119;MM88119;C#CC(CC#N)OC=NO;YHCHZHUBTXUAHR-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88120;MM88120;C#CC(OC=C)OC=NO;KAGHOJJMTJRPSM-UHFFFAOYSA-N;141.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88121;MM88121;C#CCNN=COCC=O;MKZZEGDYDNLGHD-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88122;MM88122;C#CC(OC=NO)ON=C;BUZLGDXTIAZZBV-UHFFFAOYSA-N;142.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88123;MM88123;C=CC(C)N(O)C(=N)C=O;CFHSXQSFRSCGSG-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88124;MM88124;C#CCC(C#C)OC=NO;XBOBBWKOMSERQI-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88125;MM88125;CNCCCC(=CF)CN;GSNXZIIDDOTULU-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88126;MM88126;CN=C(CC#CCN)NC;RTHFFFVEQJRZQD-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88127;MM88127;C=CNC(=N)N(C=C)OC;QXOCXXJOWCRYGW-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88128;MM88128;CC#CCN(C=O)CC#N;ZTAXTGGHIJLOFG-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88129;MM88129;CC#CCN(C=O)NC=O;PVPSHMSPBUOAPP-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88130;MM88130;CN=C(C)NN;RQEGWNSPNNZTDK-UHFFFAOYSA-N;87.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88131;MM88131;CC(N)CCCN;UEICEJLUNGARHQ-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88132;MM88132;C=NN=CC(=CN)C(=N)N;UKJVMJDVANIHNX-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88133;MM88133;CCCC(C)NC;IPBXLJFBVNLKFE-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88134;MM88134;CC(N)CCCCN;XTBMQKZEIICCCS-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88135;MM88135;C=C(NC(=N)CC)OC;AAMXQRMIUUEUSG-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88136;MM88136;C#CCCN(N)C(C)=N;VYLOVNXLVIMTPI-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88137;MM88137;CNC(C)CCCC#N;SKYVSWAOALMNSS-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88138;MM88138;C=C(CN)CCCNC;USWFVXUFRLWJHP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88139;MM88139;C=C(CN)C(C)CNC;CKYWAEOXRWKEJS-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88140;MM88140;C=NN(C=CC)C(=O)NC;VJKGUSGBFBERJH-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88141;MM88141;C=CN=C(COC)NC;DPVFAPHBMCQSEP-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88142;MM88142;COC(C(=N)N)C(C)F;KDUNCAFGMOASJN-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88143;MM88143;CC=CC(CO)OCCO;PDBLVXMMMZJODF-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88144;MM88144;C=C(C)CCCC(C)NC;BWFWFCNXMUAOQI-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88145;MM88145;C=C(C=O)CN(C)C=NC;BWJACSLHUSERCB-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88146;MM88146;CC(N)CC(C)C(C)CN;PZEJEHABWANYNJ-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88147;MM88147;CC(N)CC(CN)CCF;NPDSOXKBEBWOPA-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88148;MM88148;CC#CCN(N)C(=N)NN;FRXRJTPGJHLDJL-UHFFFAOYSA-N;141.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88149;MM88149;C=CC=CNC(=N)CNC;XTKUDGRWTQGEEU-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88150;MM88150;CON(C=NO)CCCF;ZUUDSQPJXMHFNN-UHFFFAOYSA-N;150.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88151;MM88151;C=C(C=COC=O)NC=N;IGRLEVVRCNOWED-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88152;MM88152;CC(=CC#CCN)NC=N;JZUPMIDLBJMWAQ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88153;MM88153;CCN(C=NO)OCOC;ZEZKXPVNQWXUQT-UHFFFAOYSA-N;148.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88154;MM88154;C=CC(CN)C(C)C(C)N;VZEKVAPYLXSOAU-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88155;MM88155;C#CCC(CCN)C(C)N;UNXMVHNOKNOPGP-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88156;MM88156;C=COC(CCCO)=NN;GUURWMMWVGHSDR-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88157;MM88157;CNC(C)CCC(F)CN;URBIOONJLRZCGP-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88158;MM88158;CNCCC(C)=CCCN;YXSHKDAGPUCZEL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88159;MM88159;N#CC(F)=C(F)CNC=N;NYOFTECZYZWWKX-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88160;MM88160;CNN=CC(=NNC)OC;OKUAESDXECLPTE-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88161;MM88161;C#CCNC=CC(=N)NN;MXAPXJFPKYKQQH-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88162;MM88162;CC=CC(CF)NNC=O;BVZDAUPRSBAHCK-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88163;MM88163;CC=CC(CO)OCC#N;WPJXMWDAMTZNJN-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88164;MM88164;N#CCOC(C=CF)CO;BSWVKUXXRHTHQA-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88165;MM88165;COC(C=CF)OCC=O;VGLURSGVUXETHX-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88166;MM88166;COC(C=CF)OCC#N;YVUKBFPWGPTKSQ-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88167;MM88167;CC=CC(CO)ONC=O;NUSKDTJVNYGJPI-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88168;MM88168;CNC(=N)C#CCCOC;DWTYAVSXIISXIS-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88169;MM88169;CNCCCC=C(C)CN;VYRNPRZKTMRKEY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88170;MM88170;CNN=C(C=NN)OC;VJIOLEILQOXBGP-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88171;MM88171;CCCC(NC)C(C)CN;YMLCFILHAXYVLZ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88172;MM88172;C=CCCN(C=NO)OC;AAISUAGIMQADDR-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88173;MM88173;C=C(CN)C(CC)CNC;MFUZYHMSAVINLB-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88174;MM88174;C=NN=C(C#N)CNC=N;XBWWOSQXNXZDJI-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88175;MM88175;CCC(OC=O)C(=N)NC;JKBAJUOIVFELNX-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88176;MM88176;C=CN=C(CNCC)NC;FFJBFMXLURWRCH-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88177;MM88177;CNC(=NN(C)C)NN;RYMBDEIRNGHZQM-UHFFFAOYSA-N;131.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88178;MM88178;C#CC(CN)CCCNC;ZZOZIDBPZDLDCJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88179;MM88179;C#CCOC(C=NO)OC;LZJRROCYLBEXSS-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88180;MM88180;C#CC(=N)NCC;XJKGLJOLDILHFF-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88181;MM88181;CC(N)CC(C)CN;ACEKLXGWCBIDGA-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88182;MM88182;COCCC(C#N)C=NO;RERWFYVRAXOPDK-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88183;MM88183;C#CC=C(C)NC=N;KCOQYBGRYUHLFT-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88184;MM88184;C=C(OC)C(=N)NN;QXIHPRYZCZLUAF-UHFFFAOYSA-N;115.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88185;MM88185;COCOC(C#N)C=NO;YLNBWRLVDDFWCE-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88186;MM88186;CNCC(C)C(C)(C)N;AGYHKUHPWUMOBJ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88187;MM88187;CC(N)CCC(C)CN;VQGRILOLJITFOR-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88188;MM88188;C=CC(=N)N(N)C(=C)C;IZFVBHCUHOUUKR-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88189;MM88189;C#CC(C)C(C)CNC;CSJDMTAQJBVKMU-UHFFFAOYSA-N;125.22;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88190;MM88190;CCCCN(C=O)C=NO;UMLBGPVDMHIMHX-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88191;MM88191;C=CCC(=N)N(N)C=C;HEHRPJCUVZFITG-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88192;MM88192;C=NN(C=NO)CCCF;SGIWWQJYGVMMGS-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88193;MM88193;C#CC(=NNC)ON=CC;LVSGPXJOKGEYBO-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88194;MM88194;CCC(CCN)C(C)N;COCNURMPVFCAGG-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88195;MM88195;CC=CN(C=O)OCCO;FWHFKCQIPJJOLF-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88196;MM88196;COCON(C=O)C=CF;JZMPKXRESIFQRH-UHFFFAOYSA-N;149.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88197;MM88197;C=CCN(C=N)C(=C)C;ITHGKGDMTOOCMH-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88198;MM88198;COCON(C=O)C=NO;RULARTBDQJYSFK-UHFFFAOYSA-N;148.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88199;MM88199;CC=CC(C#N)NNC=O;VVUQWXVYRHPMOF-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88200;MM88200;N#CCOC(C=O)C=CF;BFLLHLUOEYSJDV-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88201;MM88201;N#CCOC(C#N)C=CF;AUSFDXSUEAUUSD-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88202;MM88202;O=CCOC(C=O)C=NO;HAIHLBLUNLXEDQ-UHFFFAOYSA-N;145.11;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88203;MM88203;N#CC(C=NO)OCC=O;IPIHPYZKHPZZAG-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88204;MM88204;N#CCOC(C#N)C=NO;IVXQPYLOOVDHOH-UHFFFAOYSA-N;139.11;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88205;MM88205;O=CCCN(C=O)C=CF;FQISTMXVWVKPIS-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88206;MM88206;CC(N)C=CCOC=NO;UHILVDDFNGIPQW-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88207;MM88207;C=C(C)N(C=N)C(=C)C;ZXSJVQRCMNBSAW-UHFFFAOYSA-N;124.19;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88208;MM88208;C#CC=NNC=NOC;BWGWKIXNQFNUOC-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88209;MM88209;C=CCCN(C=O)C=NO;PCKMSVFQPYYDKV-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88210;MM88210;C=C(C=O)CN=CN(C)C;ULVMCKMVHUZZNA-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88211;MM88211;CNC(=N)NC(C)=CC#N;RFOZJGJYJYVFQB-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88212;MM88212;CNCC(C)C=C(C)CN;XIPACHLKPMTDGU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88213;MM88213;CC(C)NC(C)C(C)CN;FIZLLTOXJAIEJS-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88214;MM88214;C#CC(C#N)=C(C)C(=N)N;XZLINPMUGAIHOP-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88215;MM88215;C=C(C)C(N)CCCNC;RALUKSNJIPJXNA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88216;MM88216;CC(N)C(CCN)CCF;BXUBEXJKTKXEQG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88217;MM88217;C=CCC(CCN)C(C)N;WPOGSHZXRKLPGE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88218;MM88218;CC=C(C)NC(=N)CO;AAGDOXNJQMHBCS-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88219;MM88219;CC(C)C(CCN)C(C)N;GJNYTKQHZVJBPO-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88220;MM88220;C=CN(C=NO)OCC#N;BMTSQNLJZRKUMH-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88221;MM88221;C=CC(C)(CN)CCNC;KDMPBZRHJYUTEW-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88222;MM88222;N#CCON(C=N)C=NO;FHKPWIZCDITOIM-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88223;MM88223;C=CC(C)N(C)C(=N)CO;HEWOZZWGYBKIPY-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88224;MM88224;C=C(OC)C(=NN)OC;OUOJFWNRTHUYIA-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88225;MM88225;C#CCCN(C=NO)N=C;NBLLMZYCYXNZOT-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88226;MM88226;CNC(C)CCC(N)CF;GKWSTTXDFVNVHC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88227;MM88227;COC(C)C(C)C(=N)NN;MFMQHHQKIZWBQJ-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88228;MM88228;C=C(CCCN)CCNC;LKZJDLFEVHUGGK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88229;MM88229;C#CCON(C=O)C=CF;XWEQFXXOGOLUIK-UHFFFAOYSA-N;143.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88230;MM88230;CN(C)C=NCC(C)(C)O;RZUYBRQJDVVMSR-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88231;MM88231;C#CCON(C=C)C=NO;WLOCNDZNLOVQDW-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88232;MM88232;C=C(CCNC)C(C)CN;DESRRMAXVDGRFH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88233;MM88233;CC=CCN(C)C(=N)NO;YKTMLWDDGQGYKX-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88234;MM88234;CCNCCCC(N)CF;IKXRCUYLUDFSDU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88235;MM88235;C#CC(N)CCCNCC;MQANKDILMYXPBX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88236;MM88236;C#CCNN=C(C#C)C#C;KDDUQWXBFRIYPA-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88237;MM88237;C#CC(C=NO)CCC=O;DYZSEXKLMVWABE-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88238;MM88238;CNC(=N)C#CCCC#N;SMTIKGLDGRNEQG-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88239;MM88239;C#CC(C=NO)CNN=C;XPXSHRONJXACIM-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88240;MM88240;C#CC(C=NO)COC=O;RKASPFFFEKOXDU-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88241;MM88241;CC(C)=C(CO)N(C)C=N;CVXWHOHTWLLGJJ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88242;MM88242;C#CCNC(=NC)NC=N;XZJMPJAJDDOPNZ-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88243;MM88243;C#CC(C=NO)OCC#N;LXVJUUWQCGDDRJ-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88244;MM88244;CON=CC(C)(F)CO;OVUCCWAJFYJLSR-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88245;MM88245;C#CCC(C#C)=CNC=N;XIKNBEQABBMLSD-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88246;MM88246;C#CCOC(C#C)C=NO;LGAQCDIJDWXGBP-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88247;MM88247;CCN(CC)C(C#N)C#N;VSIBZHXUEUAXNH-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88248;MM88248;C=CC(CCCNC)NC;MPHAUEJRPIAHKV-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88249;MM88249;CCN=CNC=CCCN;GNMNPRLSILDDHR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88250;MM88250;C#CC=NOCC(=O)C=O;YSINLVILYQSRNV-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88251;MM88251;COC(C=CF)OC=NO;OJNNAEFHFXLLEY-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88252;MM88252;COC(C=NO)OC=CF;DLIWQGLHVCIXIM-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88253;MM88253;C=CN(O)C(CF)=NC=N;BNDJAPLOBMUWJM-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88254;MM88254;COC(C=NO)OC=NN;NYTGDRKYEZRPCD-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88255;MM88255;CC=NOC(C=NO)CO;OWNUZKOGQDDRGD-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88256;MM88256;CC(C)(C)N;YBRBMKDOPFTVDT-UHFFFAOYSA-N;73.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88257;MM88257;CC=CCN(C=NO)OC;XRWWINZQFMOQMD-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88258;MM88258;CON(C=NN)CC=NO;WZVLRBDFJHHOAY-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88259;MM88259;O=CC(C=NO)CC=NO;KKUIMJWYUURNIL-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88260;MM88260;N#CC(C=CF)NC=NO;ZXWARTGAEUBSMW-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88261;MM88261;N#CC(C=NO)OC=NO;LDALEVXLWUTPAH-UHFFFAOYSA-N;143.1;-0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88262;MM88262;CC=NOC(C=O)C=NO;FPPRTWOSZAXQPW-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88263;MM88263;CC=NOC(C#N)C=NO;GLEBIHZJQDNKTA-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88264;MM88264;CCNC(C)C;RIVIDPPYRINTTH-UHFFFAOYSA-N;87.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88265;MM88265;C=CC(=N)NCC(=O)C#N;DYCFOJZRSIADDX-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88266;MM88266;C#CCC(C)CNC;JSQCUCFVBVVYDJ-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88267;MM88267;CC=NN(C=N)CC=NO;GVMUNXSMNYGEBT-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88268;MM88268;CC(N)C(C)CCN;OLTBRQIRRDQOTO-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88269;MM88269;C=CN(O)C(C=O)=NCC;JUMRQDSDEVYERS-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88270;MM88270;N#CC(C=O)NC(=N)C=O;JOMQTFMOXJQYLI-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88271;MM88271;C=CN(C=NN)OC=NO;OJECPFLRDSDSLF-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88272;MM88272;C=CN(C=NO)OC=NN;PSHAPUDWTDXIJB-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88273;MM88273;C=CN(C=NO)OC=NO;XEUPZHKOLRQQIM-UHFFFAOYSA-N;145.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88274;MM88274;CON=C(CC#N)NO;CGWKQSUNMAFDPZ-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88275;MM88275;C#CC(C=CF)OC=NO;DAIPSJZCHOLUTN-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88276;MM88276;C#CC(F)CON=CCO;RAHOUCNTRVFNSU-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88277;MM88277;C#CC(C=NN)OC=NO;YQRATCHFZYTXET-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88278;MM88278;C#CC(C=NO)OC=NN;VXJCNUFWDMJBDI-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88279;MM88279;C#CC(C=NO)OC=NO;GBDGFNOFDWSIAM-UHFFFAOYSA-N;142.11;-0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88280;MM88280;CNN=CC(F)=C(C)CO;RZDKUPPHJSVEMP-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88281;MM88281;CN(O)C=NOC=O;VGBINDIDRQSAJG-UHFFFAOYSA-N;118.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88282;MM88282;C=NN=C(NCCO)OC;GMJVQCHVWVAPFZ-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88283;MM88283;CCC(N)CCCN;HYQBVSXBLGKEDT-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88284;MM88284;C=C(C=COC)NC=N;QUSRWPZSPGBJGG-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88285;MM88285;CC(N)C(C)C(C)CN;XYCGWJLLLHXYMK-UHFFFAOYSA-N;130.24;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88286;MM88286;C#CC(=N)N(C)C(=N)N;ZJQPJBJTZRCJIO-UHFFFAOYSA-N;124.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88287;MM88287;CC#CC(CO)OCOC;WRFHDWOTSQMAKO-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88288;MM88288;CC(N)C(C)CCCN;NYCNZFKSGAOSCE-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88289;MM88289;CC#CC(OC)OCCO;HONCSNFOMHVQOD-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88290;MM88290;C=CC(=C)CNC=NC;MOVAYJRISWGIBV-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88291;MM88291;CNCC(C)C(C)NC;KIEUTEZDNSQNBO-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88292;MM88292;COC=C(CF)C(=N)N;NOHFZTUNTGTPGH-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88293;MM88293;CC#CC(CF)ONC=O;ZVRWWTTVAIGBKY-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88294;MM88294;CC#CC(OC)ONC=O;UJPFXTBZTNSNCK-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88295;MM88295;CC(N)CC(F)CC(C)N;CVMVYHIQSQFDBJ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88296;MM88296;CC#CC(C=O)OCCO;QLKLGEJAAONBHX-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88297;MM88297;CC#CC(C=O)CNC=O;NZCXSTODGBUTAP-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88298;MM88298;CC#CC(C#N)CNC=O;SEHCQPMTANNICD-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88299;MM88299;CNN=C(CC(N)=O)OC;MEXLTKZUYGBIRN-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88300;MM88300;N#CC=C(N)NCC=O;PJMGKYPVBFVPJM-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88301;MM88301;CC#CC(C=O)OCC#N;BLFFHTGFJAPDMR-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15830;MM15830;CC#CC(C#N)OCC#N;YMLPXHQTWVCQTQ-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88302;MM88302;CC#CC(C=O)ONC=O;RWBAFTJFRCLRJS-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88303;MM88303;CC#CC(C#N)ONC=O;FIQVQXSNHQRFSM-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88304;MM88304;NN=COC=NN;JLNDIYIBQQPBCK-UHFFFAOYSA-N;102.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88305;MM88305;C#CC(=NN)ON=C;JJDVIPPDRTWQGJ-UHFFFAOYSA-N;111.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88306;MM88306;C#CC(F)COC=NN;FVMWHQBLRVHBIY-UHFFFAOYSA-N;130.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88307;MM88307;C#CC(C)(OC)OC=NN;JIGLTWKVTHAYIF-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88308;MM88308;CC#CC(CO)OC=NO;OVDOUOFDKALEQA-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88309;MM88309;CC#CC(OC)OC=NO;CKQXZWSRSURCDM-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88310;MM88310;CC#CC(C#N)N=CNO;MZPJGBQYODXCIG-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88311;MM88311;CC#CC(C#N)OC=NO;TXQUPVDYRBJCEB-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88312;MM88312;C=CC(CCF)C(C)(C)N;OYIKTFRRTPTUIL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88313;MM88313;C=CC(C)(CCN)CNC;LKGFMGWTQDZJPG-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88314;MM88314;CC=C(C)CC(=N)N(C)N;WSGSIMXFIGQBAT-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88315;MM88315;CC(=N)N(N)C=CC(C)F;DYWWQVKTISKSKS-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88316;MM88316;C=CC(=C)CCNC(C)C;FFRHHNIVQNTFAK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88317;MM88317;OCCCC(CCF)=NO;XEIGKODGPXGMCT-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88318;MM88318;CC#CC(N)CNC=NC;WPFFUEOZVWAZKA-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88319;MM88319;COCCC(COC)=NO;BNAYVIIOFPNBDO-UHFFFAOYSA-N;147.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88320;MM88320;C=CCC(N)C(C)CCN;QJVNDTSVBGTJLU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88321;MM88321;C=C(CNC)C(C)CNC;UQKUBLUBXRQJLN-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88322;MM88322;CC(N)C(C)C(C)CCN;WXHCJTZTBCMNCX-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88323;MM88323;CCOCC(COC)=NO;DCKIFPYQCFHCLH-UHFFFAOYSA-N;147.17;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88324;MM88324;NCCCC(N)CCCF;XTCVDQGFWLIFRF-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88325;MM88325;C=CC(C)C(N)CCCN;NYZWDGDVISRMHU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88326;MM88326;CC#CC(OC)OC=NN;OUQPHBJYYRKHDJ-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88327;MM88327;C=NOC(=O)CO;AGBZLIJAZWHLGW-UHFFFAOYSA-N;103.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88328;MM88328;N#CC=C(N)C(O)CC#N;UWWQQSNRPKBIIA-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88329;MM88329;C=CN(C=NC)CCCN;STYPSUUUJMSXSP-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88330;MM88330;C#CCOC(CF)C(=N)N;OBLBAYRUTIOCCR-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88331;MM88331;C#CC(=C)N(O)C(=N)C=O;VDVAJEGYISUPCV-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88332;MM88332;OCC#CC=NN=CNO;ITVLJUFNNCSHEZ-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88333;MM88333;CCC(CN=CNC)OC;DBFUFHJYCOKSST-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88334;MM88334;CN=C(C)NCC=O;XSCMZZSFBXUUHI-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88335;MM88335;C#CC(=NN)N(N)C(N)=O;XPBPVQBSLYXUNZ-UHFFFAOYSA-N;141.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88336;MM88336;CNC=NC=CC=NOC;PDVKWTFVWBTWRH-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88337;MM88337;CN=CN=C(NC)NN;QFWPNUOTUFNRNH-UHFFFAOYSA-N;129.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88338;MM88338;CNC(=N)NC=C(F)C=O;BCTSWYPHLAHOBL-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88339;MM88339;CCNN=C(NC)N(C)N;ABAVBOIRNGTGEE-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88340;MM88340;CON=CN(O)CC=O;GOKWPFLKMHOOQX-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88341;MM88341;N#CC=C(N)NN=CCO;WQGVZXIEFKPGTI-UHFFFAOYSA-N;140.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88342;MM88342;CC=C(CCO)OCCO;DBUDKCLOIKPZRY-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88343;MM88343;CNC(C)(C)C;ZQGJEUVBUVKZKS-UHFFFAOYSA-N;87.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88344;MM88344;C=NNC(CNC=N)=NC;LVEWLXYRVZBZDK-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88345;MM88345;CNC(=O)N(C)N=C(C)C;YXFNTWBUARWZGK-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88346;MM88346;CCOC(=O)ON=CNO;GECAXUZOFDJJPX-UHFFFAOYSA-N;148.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88347;MM88347;CCNC(=NO)OCCF;OHVZABWFJYVKIY-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88348;MM88348;CCC(C)NC;PYFSCIWXNSXGNS-UHFFFAOYSA-N;87.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88349;MM88349;CCNC(=NO)OCOC;LHPMFZFWBUWSMH-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88350;MM88350;CCCNCC;XCVNDBIXFPGMIW-UHFFFAOYSA-N;87.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88351;MM88351;CCCOC(=NO)NOC;GWWFCZVKRITBLS-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88352;MM88352;CC(C)(N)CCCF;MOBDMAMUWNQIGG-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88353;MM88353;CC=C(CCO)CNC=O;FZWWIRRQIJFMHN-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88354;MM88354;C=CC(=C)C(=N)NN;DSTKERQDYBJIMJ-UHFFFAOYSA-N;111.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88355;MM88355;N=C(C=CCF)NN;FPGVHVPSZRBATK-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88356;MM88356;CCC#CC(=N)NC;KCNPGQKTSKWZCB-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88357;MM88357;CC#CC=NN=CNO;SNRPBHSPQCMYKY-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88358;MM88358;CC(=NN)OC=CCO;XIUINKBQZBLAJC-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88359;MM88359;C=NNC(=N)CNC=N;GLBQGVBLSCUHEY-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88360;MM88360;C#CCC(=NC)NC;OBLUXRTWVALWDG-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88361;MM88361;CC(F)=C(C)NC(=N)NN;RKCWGHMAZIQWAJ-UHFFFAOYSA-N;146.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88362;MM88362;CC(C=CF)C(C)(C)N;WPYJZFBNSBMJCK-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88363;MM88363;CN(C)N(C=O)CCC=O;FDEBEIORJYRNDT-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88364;MM88364;CNCC(C)CC(F)F;IUCXQUSRQNVCCZ-UHFFFAOYSA-N;137.17;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88365;MM88365;CC(C)OC=NNCC#N;DBWNKCACQZZXJF-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88366;MM88366;C=C(NC(=N)N)OC=O;QEOZRLZQEXFBSU-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88367;MM88367;C=NNCC(=NO)OCC;YHGBIYNPBUNNTO-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88368;MM88368;CC(=NN)OC=NN;YXPZOSCXPUTOAK-UHFFFAOYSA-N;116.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88369;MM88369;CCOC(COC=O)=NO;RUUFYKVZQWMACZ-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88370;MM88370;C#CC(C#N)=CC(=N)N;HHTHDYQJQGYADT-UHFFFAOYSA-N;119.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88371;MM88371;CN(C=O)C(=N)CC#N;MZSYVAFKYKVRBA-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88372;MM88372;CON=CNOC(=O)C#N;MVUMGVXBVBGFQD-UHFFFAOYSA-N;143.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88373;MM88373;C#CCCNC(=N)NOC;BEEWSOICOGQPJF-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88374;MM88374;COCC(=NO)NCC#N;QYCSFTKHMCTKKR-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88375;MM88375;CC=NNC(=N)CNC=N;LTYPETHQUXVIRL-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88376;MM88376;CNCC(C)C(C)CF;LKJULSYANQRAKZ-UHFFFAOYSA-N;133.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88377;MM88377;CC(=N)NNC(C)=CC#N;IDONTCKTMALDIR-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88378;MM88378;C=CC(C)(C)ONC(=N)N;KJZQQMPCXILBOB-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88379;MM88379;CC(C)(C)ONC(=N)N;YAJSJBBCCXJIIC-UHFFFAOYSA-N;131.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88380;MM88380;C#CC(C#CCO)=NN;PYEKGXBYONLRPS-UHFFFAOYSA-N;122.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88381;MM88381;CONC(=NO)NCC#N;ODVDMLIEKCWFBW-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88382;MM88382;CC=CC(C=NO)NC=N;RCIQKDBZHDYKAK-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88383;MM88383;CC=NOC(=O)NC;AJXKMJYKYIXOJG-UHFFFAOYSA-N;116.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88384;MM88384;N#CCOC(=CF)CCO;ZKJVKAAWLZXYGZ-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88385;MM88385;COCC(=CF)OCC#N;WZTKLTCLKPMDPL-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88386;MM88386;COCC(=NO)OCC#N;UCBHHKJCIRFRGB-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88387;MM88387;CCNCCCC=NN;HYHACMBDSURFHH-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88388;MM88388;C=CCOC(=NO)NCC;BRIHJKOVQVEBCI-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88389;MM88389;CCNC(=NO)OCC#N;IXMPPQKFIXYCOR-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88390;MM88390;CC(C)(N)CC(=CF)CN;GNISESIJISQUFN-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88391;MM88391;CN=CNC=CC(C)(C)N;UZSRRXKIVZJFHA-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88392;MM88392;CNN=C(CO)C(C)(C)F;OSKOFSLVHBVJSO-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88393;MM88393;C#CC(C=NO)=C(C)CN;YZLSGFODPHTQEM-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88394;MM88394;CNCC(C)C=CC(C)N;AVDJSIMRNOGNMV-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88395;MM88395;CC(C)(N)C=COC=NO;IWHHXMNVJNFTMG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88396;MM88396;C=C(CN)CCNC(C)C;TWUBQAWYFRYGPP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88397;MM88397;C#CCNC(COC)=NO;SRBYEWYOEXSUSW-UHFFFAOYSA-N;142.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88398;MM88398;C=C(CN)CC(C)NCC;ANEKKIKOGABGQX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88399;MM88399;CC=CC=CNC(=N)CO;BHODNHCWPAJACG-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88400;MM88400;CN=C(NC(=N)N)N(C)O;AMZMBDDQYJTMRH-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88401;MM88401;CCNC(=NC=NC)NN;NEQFCVSQELIKTO-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88402;MM88402;C#CCOC(CCO)=NO;IPFXFHHVDYNQGL-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15430;MM15430;C=CCC(CCCF)=NO;ZFGFKZBMSICJJA-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88403;MM88403;O=CCC(CCCF)=NO;MRMZFYFOWJFPLH-UHFFFAOYSA-N;147.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88404;MM88404;CNCC(C)CCOC=O;CBDYWFUOJKQQFX-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88405;MM88405;C=C(CCCNC)CNC;NWXWLSVLEVXGKK-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88406;MM88406;C=C(CCCNC)C(C)N;XMFZXECPXBZAGK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88407;MM88407;COC=CCC(=N)N(C)N;ABPZHKLQPQIJCP-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88408;MM88408;CCCCC(=NO)NC=O;GTTONJJTOOFHKD-UHFFFAOYSA-N;144.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88409;MM88409;CNCC(C)C(C)C(C)F;KCTLPXVWABGEQP-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88410;MM88410;C=C(C(C)N)C(C)CNC;UMAHZZBFLRMYDK-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88411;MM88411;C=NNCC=CNC=NC;ICEJSVQXQMBGSK-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88412;MM88412;CNC(=N)C#CCC=NO;RXBGWVXVDLUHQO-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88413;MM88413;N=CNCC#CC=NO;BOLJCIFMJBEKCI-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88414;MM88414;C#CC(=C)C(C)(O)C(=N)N;WXOWGRRXRXKYQB-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88415;MM88415;C#CCC(=C)C(=N)N(C)N;KCHWMLYUDHJFNY-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88416;MM88416;CNCC(CCF)CCF;GKWTXTXHXPVJRF-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88417;MM88417;C=COC(COC)C(=N)N;QFHZXSJSOPXQGM-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88418;MM88418;NC=NC=CC(O)C=O;NBLSTQUKZXRARG-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88419;MM88419;C=CNC(COCC)=NO;XSPRKFXDJNATFV-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88420;MM88420;C=CC=CNC(=N)C(C)O;ICFZKCQQZHOKHL-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88421;MM88421;CNC(C)CCC(C)=NN;LJXWHOSGPQSWGT-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88422;MM88422;C=CC=CNC(=N)CO;FYRTUOQEMOBEBT-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88423;MM88423;CCN=C(CO)NC;KUGCIYFDTVIMMI-UHFFFAOYSA-N;116.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88424;MM88424;C=COC(CCCO)=NO;REOSPJKJWVMUQU-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88425;MM88425;C=COC(CCOC)=NO;TYXYGJPQESPABM-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88426;MM88426;C=NOC(CCCO)=NO;CZIWUJXCXAWLKM-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88427;MM88427;CC(CO)=NNC=CC#N;BQYVUTNWMAUFLX-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88428;MM88428;C=NN=C(C=CN)N(C)O;DIIMINIYBKMODP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88429;MM88429;N#CC(=O)CNN=CCF;FLMFFCJSHYKWGO-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88430;MM88430;C=COC(=O)C(C#N)NC;WRANXVSQLNXGGP-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88431;MM88431;C=C(C)N(C)C(=N)NO;BBIKHLITTKRMII-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88432;MM88432;CC(C)=C(CO)NC=N;CQQPQYSWCKQJGP-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88433;MM88433;C=C(NC=N)C(=C)C(C)O;KERHVNUFOCCXKS-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88434;MM88434;CC(=O)C(C)=NN=CNO;VJKYEFFLKZFAIT-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88435;MM88435;CCC(C=O)=NN=CNO;CNANTJHTCWCKBR-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88436;MM88436;C#CCON(C)C(=N)NC;SMHHCSYXGYKRTH-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88437;MM88437;C=CN(C=N)CC(C)(C)O;GIKWSFPFLPZEDN-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88438;MM88438;CC=C(CC#N)OCCO;JDQVMFYQZQKQTO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88439;MM88439;O=CCC(=CF)OCCO;DHWOFCGHGFTPEX-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88440;MM88440;C=CCNC(C)=NCCO;AKQYDVJBBLUEBN-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88441;MM88441;COCOC(CC#N)=NO;KNBNBBMDAPEFLZ-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88442;MM88442;CCC(=N)N(N)C=CCF;CLSXZYWXQAVZSV-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88443;MM88443;C#CCOC(CCO)=NN;YFBJWUONMZMBAY-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88444;MM88444;CC=C(NC=O)OCCO;RFZHEEPBYDJXHJ-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88445;MM88445;CC=C(NC=O)OCOC;YDNXYNRKGCFLMN-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88446;MM88446;C=NN=CCCC(C)NC;YJINMYRCDONDLP-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88447;MM88447;CCCOC(=NN)NC=O;SNJVGHIWDKZQTM-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88448;MM88448;C=CNC(=NO)OCCC;PQYAUYGGSIAKEX-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88449;MM88449;CCCOC(=NO)NC=O;YNCJCSZTIFNLJK-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88450;MM88450;CCNCCCC(C)=NN;YWLCVKUCTSCCHK-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88451;MM88451;CCCNCCC(C)=CF;RTTNRABOTFERFM-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88452;MM88452;CCOC=NNC(C)C#N;HVNIKFXAFIAAHA-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88453;MM88453;COCOC(=NO)NC=O;HVGWTVSYDZKVMJ-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88454;MM88454;C=NNC(=NO)OCCC;QAXHMORYMXBRMU-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88455;MM88455;C=NNC(=NO)OCOC;VSURWIXFHTUOHY-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88456;MM88456;N=CNC(=CCCO)CF;VCBFXUJEJNRWMZ-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88457;MM88457;C=NOC(=NO)OCOC;FOSDYSKWRCWNEC-UHFFFAOYSA-N;148.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88458;MM88458;C=CCCC(CC=O)=NO;APUOPUHNXDLPJL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88459;MM88459;N#CCCC(CC=O)=NO;YCPPIKGJYCZGCK-UHFFFAOYSA-N;140.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88460;MM88460;N#CCC(CNC=O)=NO;KIZGVZVFHMZYFA-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88461;MM88461;C=COCC(CC#N)=NO;WTTASZOJUOIUGI-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88462;MM88462;N#CCC(COC=O)=NO;JDKMVFDGPHIRAQ-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88463;MM88463;CC(=O)CC(C)N=CN;XWHXOICANFQGGZ-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88464;MM88464;C#CC(CCNC)CNC;DVFPZPSIJJXRGO-UHFFFAOYSA-N;140.23;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88465;MM88465;N#CCCC(=CF)NC=O;VMOMVZYJYIIXSC-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88466;MM88466;C#CC(CN)CCNCC;ICKJUCFJTQZJLK-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88467;MM88467;N#CCCC(=NO)NC=O;ZBPBJCNLVQEFGL-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88468;MM88468;C=NNC(CCC#N)=NO;KWWNRVGEJWJZNX-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88469;MM88469;CCC(=O)CC(C)N=CN;KUPNBCCBTOCVIM-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88470;MM88470;CC=NOC(=O)C=NNC;LDMGFRVAIIYAIM-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88471;MM88471;C=NNC(CNC=O)=NO;NBRGSFWGAPFRSM-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88472;MM88472;NC(=CC=O)NN=CCF;QUORUTJUYJMCGT-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88473;MM88473;CC=NOC(=O)C(C)O;ODGXVSCPEVSVHY-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88474;MM88474;C=NNCC(=NO)NN=C;UKBWGGQJETWWBS-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88475;MM88475;C=C(NC=N)C(C#N)OC;WZKUZJMAGFYNAF-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88476;MM88476;CC(F)C(CO)=NN;AMOACOUGFZOFJY-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88477;MM88477;C=CNC(COC=C)=NO;QOEXFJIJAFPCDE-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88478;MM88478;CCC(C)(C)N;GELMWIVBBPAMIO-UHFFFAOYSA-N;87.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88479;MM88479;CC(=CF)C(=N)N;KHTINOYAVGABSO-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88480;MM88480;CCCN=C(C=O)N(C)O;ZTUFYZOBGOYUCE-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88481;MM88481;N=CNC(=N)NNC(=N)N;BANOTOXSIWFQFI-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88482;MM88482;C=CNC(CON=C)=NO;QWOUFEIEWXYIKB-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88483;MM88483;C=COCC(=NO)NN=C;GNTHEVAIFSYFCG-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88484;MM88484;C=COC(CCC#N)=NO;XLEASOKCMUKMDX-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88485;MM88485;C=NOC(CCC=O)=NO;DEEHBLHMRFRVDS-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88486;MM88486;C=COC(=CF)CNC=O;OIYWPFVFKRZSHG-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88487;MM88487;C=NNCC(=NO)ON=C;IWHOQNQHYZWSHQ-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88488;MM88488;CC(=CF)NC(=N)NN;JFKCSDMAVOIDMB-UHFFFAOYSA-N;132.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88489;MM88489;C=COC(CON=C)=NO;XPMWGHORJWOUSH-UHFFFAOYSA-N;144.13;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88490;MM88490;C=COCC(=NO)ON=C;ZVLNIXGYYCBKSE-UHFFFAOYSA-N;144.13;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88491;MM88491;CCON=C(CC#N)NO;SYWGILVAFKTYRU-UHFFFAOYSA-N;143.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88492;MM88492;N=C(C=CN)NN;VGKUUZJKIFHYLP-UHFFFAOYSA-N;100.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88493;MM88493;C=CC(C)C(C)(C)N;KNNLPTDYYAPCSU-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88494;MM88494;CC(NC=N)C(F)C#N;OMUNZLIJCNTZOX-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88495;MM88495;C=NN=C(C=C(N)N)NO;CTQVGBIALCMDCM-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88496;MM88496;CNCCCC(=NO)OC;NBWOIBIHBKZVPA-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88497;MM88497;C#CC(O)C(=C)NC=N;VBCKIGPVVNDBND-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88498;MM88498;CNC(=N)N(C)O;INNJRALLAPSVAC-UHFFFAOYSA-N;103.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88499;MM88499;C=NN(C(=C)C)C(=O)NC;WASKANRLECCKAQ-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88500;MM88500;CCN(N=C(C)C)C(N)=O;QJMSTYSDYDIBIQ-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88501;MM88501;C#CC(=NN)C(F)CCO;ZLNZMYNRWWIDNM-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88502;MM88502;C=NNC(=NO)NCC#N;BPDNWUFJXOLGAB-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88503;MM88503;CC(=O)CC=C(C)N=CN;DKQGCDUSUZNHOJ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88504;MM88504;C=CC(CO)N(C)C=N;DIHHADYMHAASIR-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88505;MM88505;C=C(CO)C(=C)N(C)C=N;XDMNNZFZUWPPPS-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88506;MM88506;C=NNC(=NO)NOC=O;FBOOQQBBZDTRJW-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88507;MM88507;C=CCNC(=NO)OC=O;SGLDQTWNVQMWHM-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88508;MM88508;N#CCNC(=NO)OC=O;UBQFPVQTMWNJNT-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88509;MM88509;CC(=CCC=O)N=CN;IYAUSEWGGRNWLR-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88510;MM88510;C=NOC(=NO)NCC#N;WIXNUVKQIKHEGM-UHFFFAOYSA-N;142.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88511;MM88511;N#CCOC(=CF)CC#N;XNKNEUPQGMIWAB-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88512;MM88512;C=CCC(=NO)OCC=O;YZOWENSTRGFWPG-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88513;MM88513;C=CCC(=NO)OCC#N;MPMSZOZYSLEKCI-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88514;MM88514;N#CCC(=NO)OCC=O;IMUAMVGZCNRYPU-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88515;MM88515;N#CCOC(CC#N)=NO;IFXRXXOCSPZVMS-UHFFFAOYSA-N;139.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88516;MM88516;CC=C(NC=O)OCC=O;HMLUXPCMBWIRMJ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88517;MM88517;CC=C(NC=O)OCC#N;NRUHTKCKUOBRPJ-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88518;MM88518;NN=COC=CC(N)=O;CXGUTNDPQASJAF-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88519;MM88519;C=C(NC(C)=N)OC;SZXLHJHFKQAIEH-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88520;MM88520;N#CCOC(=CF)NC=O;DCBCQQYHBYCLDC-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88521;MM88521;CN(C)C=NCCF;URNMSVHACGEHNE-UHFFFAOYSA-N;118.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88522;MM88522;N=CNCC(F)=CF;LKSSFFPUZCVGHL-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88523;MM88523;C=C(CN)CC(C)(C)N;MEYRQMHMJKLFDP-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88524;MM88524;CN=C(NC=O)OCC#N;MWGVCGTXZSGLKA-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88525;MM88525;C=CNC(=NO)OCC#N;QCWBFCGHBHNCAY-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88526;MM88526;N#CCOC(=NO)NC=O;VIMGXYBYEAVFKQ-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88527;MM88527;C#CC(C=O)NN=COC;OJTHBTUGUVDRHK-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88528;MM88528;C=CCOC(=NO)NN=C;PYOWLMWDOWUJEC-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88529;MM88529;C=NNC(=NO)OCC#N;ZUSGFMJOCRBAFA-UHFFFAOYSA-N;142.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88530;MM88530;CC(C)(N)CCCCF;MAWUFOJNJTWKNR-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88531;MM88531;C=NNC(=NO)ONC=O;BXDDZQUTJGCNOC-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88532;MM88532;N#CCOC(=NO)OC=O;FBIREMWGZDXYAK-UHFFFAOYSA-N;144.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88533;MM88533;CNN=CC(=O)N(N)C=O;LXGRUFBCVDAMCE-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88534;MM88534;COC(C=NN)=NN;RTIJPIBBIUIOIM-UHFFFAOYSA-N;116.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88535;MM88535;C#CCNC(CC#N)=NO;WVGGBLAEGXZQKM-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88536;MM88536;CCN=CNCC(C)N;NKGFHKGUUGKZSM-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88537;MM88537;CC(C)NN=COCC#N;FMDLVVGOCZHIJF-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88538;MM88538;C=C(N=CN)C(C)C=O;RQZVTIAVTMQWET-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88539;MM88539;C=C(C)C(C)C(C)NC;WZERNQIBMOEPFK-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88540;MM88540;C=NNC(C#N)=CC(=N)N;AMFFYAMWMGIFTE-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88541;MM88541;CN(C)C(=NN)NN;DYIXFPYIMSJTKA-UHFFFAOYSA-N;117.16;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88542;MM88542;C#CCOC(=NC)NC=O;JCGWBJWYZPYCDK-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88543;MM88543;CNC(=NN)NCC(C)F;FDFUMLJRSLQNNL-UHFFFAOYSA-N;148.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88544;MM88544;C#CCOC(=NO)NN=C;BDXRVHMEKJPCBN-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88545;MM88545;CNC(C)C(C)C=CF;FOERUBAMFXGNAD-UHFFFAOYSA-N;131.19;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88546;MM88546;CCN=C(NC)C(C)N;IRGJFLZGPVFXPO-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88547;MM88547;CNC(=N)C(=NN)NC;IFUAHPFTJWMMLW-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88548;MM88548;C=CN=C(NC)C(C)O;NPQQNEFGUYAYNC-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88549;MM88549;CC=NOC(=O)C(C)=NN;GUIXLSYNINFYAO-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88550;MM88550;C=C(C#N)NC(C=O)=NC;YYXFJXKRIAQENN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88551;MM88551;C#CCC(CCC=O)=NO;LDYMLJOCBKKHOE-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88552;MM88552;CNCCC(CN)CF;ICRIUJGLDUKPEF-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88553;MM88553;C#CCC(COC=O)=NO;DTFVXUIXJZVLMC-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88554;MM88554;CCN(O)C(=N)NC;OWKBXJZLAVXNMZ-UHFFFAOYSA-N;117.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88555;MM88555;C#CCC(=NO)NCC#N;CMWWJPZEGSVNAF-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88556;MM88556;CCCN=CNCCN;DYPLHAVLYOOONR-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88557;MM88557;C#CCC(=NO)NOC=O;VMJMJTUWXGGGQU-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88558;MM88558;CC(C)NC(=N)N(C)O;RHQKXZUPWZHBIG-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88559;MM88559;C=CNC(=O)C(=O)ON=C;SEWZQIZVHYVKLL-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88560;MM88560;C=C(CN)CC(C)(C)NC;LBKNKOPJQSAHFI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88561;MM88561;CC(C)=CN=CNC(=N)N;RCWBTYIYQQERJZ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88562;MM88562;CC(C)CNC(=N)N(C)O;GRIKAYHACPSFMU-UHFFFAOYSA-N;145.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88563;MM88563;C=NOC(N)=O;GFPCGDMSWGIZGA-UHFFFAOYSA-N;88.07;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88564;MM88564;CCOC(CC=NO)=NN;XYHQYUZVEJJKPV-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88565;MM88565;CCOC(CC=NN)=NO;WJIVOIVECVDZHZ-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88566;MM88566;CCOC(CC=NO)=NO;NCRXWROCNBDSIE-UHFFFAOYSA-N;146.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88567;MM88567;CC=CC(C)(CN)NC=N;QSNGDAAABGZUKA-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88568;MM88568;C=NOC(C#CCO)=NN;SPWLAUIVPPPQRS-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88569;MM88569;C=CC(C)C(=N)NN(C)C;RVSVODKVPJRRCC-UHFFFAOYSA-N;141.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88570;MM88570;CN=C(C)NCC(=N)NO;HIARNTGLDABPGF-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88571;MM88571;CNC(CCO)=NC=NO;KIWZITNXJVNAEU-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88572;MM88572;C#CCC(CO)=NOCC;RTAUDTFRQQGEQQ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88573;MM88573;C#CC(=CNO)C(=N)NC;TZLSESYGUPTDKZ-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88574;MM88574;CC=CNC(COC)=NO;UIVNFYMDHJNAGA-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88575;MM88575;COCC(=NO)NC=CF;ZRZNAHCJRJCJDD-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88576;MM88576;CNC(=N)C(N)C=NOC;LKPBCRUSHNCMRF-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88577;MM88577;CNC(COC)=NC=NO;CJANJMQZXDTTLQ-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88578;MM88578;CN=C(C)N(C)CC=O;LKKBWRWLDKWGIG-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88579;MM88579;COCC(=NC=NO)NN;ZXJVDWOIFMNDFS-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88580;MM88580;COCC(=NC=NO)NO;SBECXQXSMSBKIP-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88581;MM88581;CNC(=NC=N)NN;WELLPSRHOOJTCO-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88582;MM88582;C=NOC(=NC(=N)N)NN;NHJSWVGMBZKMSS-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88583;MM88583;C=CN(O)C=NOC=O;GJEUHCMWEQDZOO-UHFFFAOYSA-N;130.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88584;MM88584;CC=NN(CCO)C(N)=O;PNOQUDSUHUKPOX-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88585;MM88585;C=NN=CC=NOCCO;NVXHRRFNDWMWSE-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88586;MM88586;CNC(C#N)C(=O)OC;ZQOOHSZRIVZDDU-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88587;MM88587;C#CC(C)=NN=CNO;OVUCTUBTOVTBLZ-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88588;MM88588;CNN=CN(N)C(=N)NC;BLRFQDHNYMGKGZ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88589;MM88589;C#CC(C#C)=NNCC=O;WQAMORUIUBDFOW-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88590;MM88590;CONC(N=CNO)=NO;JNHWBKZBTBZQAA-UHFFFAOYSA-N;148.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88591;MM88591;CC(C)N(C)C(=NN)NN;VUKDSMJPNCRDSL-UHFFFAOYSA-N;145.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88592;MM88592;CCNC(=NN)NCCF;NOSACEWYXFXLQX-UHFFFAOYSA-N;148.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88593;MM88593;C#CC=NNC=NN=C;KIXZBUCMYBXZDY-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88594;MM88594;CNC(N=CNN)=NC=N;NUVGKFGJDCFSCT-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88595;MM88595;CC=C(CCO)OC=NO;VRKYFTHIUCMVOA-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88596;MM88596;CC=NN=CNOCC=O;ZJKAEMRMMIUPJK-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88597;MM88597;C#CC(C)NN=COC=C;DPHAAELJUJVGKS-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88598;MM88598;CC(N)=C(C=NN)C(=N)N;TYPDOGDYEKPEPY-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88599;MM88599;CCCC(=NO)OC=NN;GKHZXXQESOGYSU-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88600;MM88600;CCCC(=NO)OC=NO;IHNXSOBYFIXSQK-UHFFFAOYSA-N;146.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88601;MM88601;COCC(=NO)OC=CF;YPKUBSISQBSQPN-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88602;MM88602;COCC(=NN)OC=NO;CUCDLKZKWJLNHC-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88603;MM88603;CCC(=NN)OC(C)=NN;IDSYOACNEMMQRL-UHFFFAOYSA-N;144.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88604;MM88604;CCNC(=NO)OC=NN;ZHNRTHMLRJSCPR-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88605;MM88605;CCNC(=NO)OC=NO;ODNIVSIMNNQRSI-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88606;MM88606;CONC(=NO)OC=NN;CWMBTWHATIGCBS-UHFFFAOYSA-N;148.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88607;MM88607;CC(F)=CNC(=N)N(C)N;YCUFWDIRCLQFMU-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88608;MM88608;CC=NOC(=NO)NOC;LPBLTBPCBBPHMQ-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88609;MM88609;CCNN=COC(C)C#N;CEDKDRZRLCEUDP-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88610;MM88610;CCOC(=NN)OC=NO;FQAZUAMLVKGHEE-UHFFFAOYSA-N;147.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88611;MM88611;CCOC(=NO)OC=NN;HTSQSNLVPRPAMD-UHFFFAOYSA-N;147.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88612;MM88612;CC=NOC(=NO)OCC;OZHVXYJMEGHPAB-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88613;MM88613;CC=CCC(=NN)NC=O;XBVAYKABEZZROJ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88614;MM88614;C#CC(C)(N)CC=NO;ONOONMPJMANSMO-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88615;MM88615;C=CNC(CC=NO)=NO;DUEXEYNEYBHYHP-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88616;MM88616;COC(C=C(C)CN)=NO;VFLKRDGHEGQGBU-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88617;MM88617;C=NNC(CC=NO)=NO;RWGBDQWNCSVHMR-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88618;MM88618;C=COC(CC=NO)=NN;CWPPWELUNWCTDE-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88619;MM88619;C=COC(CC=NN)=NO;KJEMWRWPUPJWAZ-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88620;MM88620;C=COC(CC=NO)=NO;QCIBAOQZFGHAQC-UHFFFAOYSA-N;144.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88621;MM88621;C=C(C=CC=NO)NC=N;ZSFFDBRTMMYVDO-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88622;MM88622;CC(NC=N)C(C)(O)C#N;QMGMYTPSHAYTAJ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88623;MM88623;CC=CN(O)C(=N)NC;ICEBDBKECDKKDY-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88624;MM88624;C=CCC(=NC=NO)NN;BLZGXMRWXOYNEW-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88625;MM88625;C=C(CCF)NC(=N)CO;QAWDVJSJALVJDP-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88626;MM88626;C=CCC(=NO)NC=NO;UITBTJUBBFWNEP-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88627;MM88627;N#CCC(=NC=NO)NO;AQRKRHCYCRPEAI-UHFFFAOYSA-N;142.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88628;MM88628;CCNC(=N)N(O)CC;AMCZUIIOMHOORH-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88629;MM88629;C#CC(=O)N(N)C=NNC;AZPOUHDEHNGGJX-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88630;MM88630;CNC(=N)N(O)CC(C)C;NEQOLCYTWZEWML-UHFFFAOYSA-N;145.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88631;MM88631;CN=C(NO)N(C)C;FBHKJKUIIVXFME-UHFFFAOYSA-N;117.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88632;MM88632;NN=C(N=CNO)NC=O;LPEWEICLFWREFJ-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88633;MM88633;C#CC(=CN)C(=O)ON=C;HLOBHTQMDWDWDQ-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88634;MM88634;CCN=C(NO)N(C)C;QDYRBZBLMKXMCF-UHFFFAOYSA-N;131.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88635;MM88635;CCN(C)C(=NC)NO;NVBHKKDZZBURBK-UHFFFAOYSA-N;131.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88636;MM88636;N#CCC=NOCCC#N;SFANMGJDPCFPKC-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88637;MM88637;CCCN=C(NO)N(C)C;AGZWAMSPLNWCFC-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88638;MM88638;CCCCNC(=N)NO;ULDDTFAPYWLDGF-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88639;MM88639;O=CCON=CC#CCO;TZOPMQUWULZOKU-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88640;MM88640;CC(=NCC=O)N(C)C;OITSOABWOCPJLD-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88641;MM88641;CCCNC(=NC=N)NN;CCNRWOBODLVVQE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88642;MM88642;C#CCON=CC#CCO;CHJVHNKXULTLTC-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88643;MM88643;CNC(=N)COC=NN;ZOVCOFYPAXEBEY-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88644;MM88644;CC=NNC(=NO)NC=O;ZCSIFJSYGXXZDZ-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88645;MM88645;C=NNC(=N)CN(C)C=N;MXVSMFYBRYJYCS-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88646;MM88646;N=CNC=CC=O;JBIVEOHUJJURSP-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88647;MM88647;CON=C(CCF)C(C)O;VSZGVWNFLYZHBI-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88648;MM88648;C=COC(=CF)NC=NO;HGHJTMNZXMRHOV-UHFFFAOYSA-N;146.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88649;MM88649;C#CCONC(=N)NC;PURHFKUVUIGYLA-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88650;MM88650;CC=CNC(=NO)OC=O;NWIAWVLGPGKAGF-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88651;MM88651;CN=C(NC=NO)OC=O;JPUSVYLIGXECSF-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88652;MM88652;N#CCNC(=N)CNC=N;JHTUFTKSAMXKJW-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88653;MM88653;C=NOC(=NN)NC=NO;OAFZANNVLVKKLR-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88654;MM88654;C=NOC(=NO)NC=NN;ZLYQCNLCXWPVCV-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88655;MM88655;C=NOC(=NO)NC=NO;VCGZWXPNTQEDEF-UHFFFAOYSA-N;146.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88656;MM88656;C#CC(=CC=NC)NN;MNEBSDSZLLZWLE-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88657;MM88657;C=NOC(=NO)NN=CC;UCFZJFDVAWOIDZ-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88658;MM88658;CC=C(CC#N)OC=NO;MSHCKOZFBFJWEQ-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88659;MM88659;CC=NOC(CC#N)=NO;XWHZNTVEBYQPMW-UHFFFAOYSA-N;141.13;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88660;MM88660;C=CNC(=N)COC=NO;YXZHLTQTCAIVDT-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88661;MM88661;NN=COC(=CF)NC=O;HPONBUVARSXAAW-UHFFFAOYSA-N;147.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88662;MM88662;CN=CC=C(C=NO)NN;NXIUENONKIONRN-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88663;MM88663;CN=C(NC=O)OC=NN;CFTWCYLYBCNVTB-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88664;MM88664;CNN=C(CO)C(C)F;MSPAWCDGKRYQRI-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88665;MM88665;C=CNC(=NO)OC=NN;NTIFTKXRCWDBAI-UHFFFAOYSA-N;144.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88666;MM88666;N=CNC(=NO)OC=NO;IYGBZOZNGYYSDJ-UHFFFAOYSA-N;146.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88667;MM88667;CNC(=N)NC(=NO)NN;WBRPPQGADAMTAY-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88668;MM88668;C=NNC(=NN)OC=NO;HJGJOTSKSIWIOF-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88669;MM88669;N=C(N)C#CCCCCN;XWALOJUIRYUHDD-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88670;MM88670;CC=NOC(=NC)NC=O;ZUWKNYCTVXJJJC-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88671;MM88671;CCN(CC)C(=NC)NO;TVXDKYYGRVRSBL-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88672;MM88672;CC=NOC(=NN)NC=O;GVWVGLIEOJTDRL-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88673;MM88673;C=CC(C)CNC(=N)NO;FZSBBJGLTZAIGT-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88674;MM88674;CC#CC(CO)C(=N)NC;BXIDFQDBFRGICW-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88675;MM88675;C=CN(C=N)C=CC(C)O;SNLMLVWBACKKQL-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88676;MM88676;C=NNC(=NO)ON=CC;BEWNNBNVTXOFKV-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88677;MM88677;C=NOC(=NO)OC=NN;ZDVJSHCVOZODBL-UHFFFAOYSA-N;146.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88678;MM88678;C=CCC(=O)CC(N)=NC;MMGNGHUTARBMKU-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88679;MM88679;C#CCC(=NC=NO)NC;GUSZQPQLXRFLRU-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88680;MM88680;CCCCONC(=N)NC;OZGDFBAHBNKMHA-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88681;MM88681;CNN=CC(N)C(=N)NC;HXHSBTBLVOKANH-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88682;MM88682;C=CN=CNCCC#N;KAXYCLHAHBQQAE-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88683;MM88683;C#CCC(=NO)NC=NO;CCMIAHDASXGUBI-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88684;MM88684;C#CCC(=NN)OC=NO;GWWXFZNUVJXQCE-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88685;MM88685;CC#CCC(=NO)NC=O;DEMKAUXHILFMLN-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88686;MM88686;CC(=NO)OC=CNC=N;DJTICQBSVDIVLU-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88687;MM88687;C=NNCCC(C)CNC;AJXJKYIMONFVDJ-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88688;MM88688;C=C(CO)CC=NOC=O;LCYJYPMJBTXCAP-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88689;MM88689;C=CC=CNC(=N)C(C)N;UTGCNMBBSAOVRL-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88690;MM88690;CC=COC(CCO)=NN;UOFKILKZGTZBBP-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88691;MM88691;CCCN(C(C)=N)N(C)C;VRXFCYQYRGTRRT-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88692;MM88692;C=CN(C=N)CC(=C)C=O;JBICOJDDGWCDAB-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88693;MM88693;CN(C=N)C=COC=NO;WBNDWWHRLIDFPS-UHFFFAOYSA-N;143.15;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88694;MM88694;CC=CN(O)C(=N)NCC;CSEOHMVJMPYTBM-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88695;MM88695;CNC(C)C(C)C(C)=CF;RBUDLIYHPNPOOZ-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88696;MM88696;C=C(CC)N(C)C(=N)CO;XTZNGHMEYUCKPL-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88697;MM88697;CC(C)N=C(NO)N(C)C;CZHBZDUVIGHJPC-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88698;MM88698;C#CCNC(=N)NC=NC;REKIYBPITCWRLW-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88699;MM88699;CNCCC#CC(=N)NC;UZPSJTJIRUPDCP-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88700;MM88700;C=CC(CCF)C(C)NC;MPWZBBYAQZTMEO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88701;MM88701;C=CCC(C)NC(=N)NO;ISSSRFWBJBDQJY-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88702;MM88702;CCOCC(C=CN)=NO;RZSOAVWYEHNSHX-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88703;MM88703;CCOCC(C=NO)=NN;WPQRIZUGNAIQQJ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88704;MM88704;C#CC(CCN)CCNC;QESJOJQKEMDHQQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88705;MM88705;C=CC(CO)=C(C)NC=N;LRHQVFHNSBCZJZ-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88706;MM88706;CN=C(C#N)NOCC=O;RKAPFHOUERIFIN-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88707;MM88707;C#CC(=O)C(N)=NC(C)=N;CUVUZLYFMIQEEK-UHFFFAOYSA-N;137.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88708;MM88708;C#CC(OC=C)OC=NN;UTOAIKUVCPTYJZ-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88709;MM88709;CN(C)C(=NN)NCCO;BUBJOEAVYGQZAI-UHFFFAOYSA-N;146.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88710;MM88710;CN=C(C=CN)NCCO;RGTPELJMNGCZLM-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88711;MM88711;C=NNC(C=O)=NC(=N)N;YDOVLDBFUJLOFC-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88712;MM88712;C#CC(=O)CC(=N)NC=C;DPGOEGMVMYPJRS-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88713;MM88713;CCC(=N)NC(=NN)NC;KLNHVLGFGFSNHC-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88714;MM88714;CCON=C(C=NO)NO;LQGJYIGMEFBORB-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88715;MM88715;CC=CC(=N)NNCC#N;KBRXXRIHHXXNEE-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88716;MM88716;CC=C(C=NO)OCCO;YISJSTNUFLTRPS-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88717;MM88717;C#CC(=N)N(CC)C(=N)N;QBVZORKOXGZRMW-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88718;MM88718;C#CCONC=NN=C;HIBGJHPGOHLVSR-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88719;MM88719;C#CC(=C)C(C=O)C(=N)N;OIIXROHVFALNTB-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88720;MM88720;OCCOC(C=CF)=NO;RDDACZIAUMNEDD-UHFFFAOYSA-N;149.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88721;MM88721;CC=CCONC(=N)NC;RCTGMYPRECBWKR-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88722;MM88722;C#CC(C=C)C(C)CNC;WXVPSNSJRPHHEM-UHFFFAOYSA-N;137.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88723;MM88723;C=COCC(C=CN)=NO;COQWDSGUJVJUCU-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88724;MM88724;CCCN=CNCCNC;ZUQFEPMSJUJELI-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88725;MM88725;C=NOCC(C=CN)=NO;UTISCXHMOAMIEQ-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88726;MM88726;CN(C=NC=N)C(=N)N;GZFIWUNIMBQIDZ-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88727;MM88727;C=COCC(C=NO)=NN;IPZRAVPYWVBCEZ-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88728;MM88728;C=C(CC(=O)CC)N=CN;AHBIGNQMJKMIRY-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88729;MM88729;C=NOCC(C=NO)=NN;HITHJPKCMVDAOS-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88730;MM88730;C=C(CC(C)=O)N=CN;IUYOEEYNKJJSNC-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88731;MM88731;N=C(N)NC(=N)CO;MXTIMSOGIVKWKQ-UHFFFAOYSA-N;116.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88732;MM88732;CN=CC(C)=C(CO)NO;VVRXVDXWAOZMNF-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88733;MM88733;N#CCNC(C=CF)=NO;LMWJGSCFWWNTKX-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88734;MM88734;C#CC(C)(CO)C(=N)NC;CQDWXFNGUHJJCM-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88735;MM88735;CCCNC(=N)NO;LDXOUVUIJDLYHH-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88736;MM88736;C=CCNC(C=NN)=NO;LGVDLNZGNXJHMX-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88737;MM88737;C=CCNC(C=NO)=NO;VFMLHMBFQFEMRW-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88738;MM88738;C=CC(C)C(C)NC;XKMVIRPGAMLWPZ-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88739;MM88739;CCOC(=NN)C(C)=NN;VSNZECJQNKNEFE-UHFFFAOYSA-N;144.18;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88740;MM88740;NN=C(C=NO)NOC=O;VZAKRHJCRNGPLY-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88741;MM88741;C=CCOC(C=NO)=CN;XKFGZULLTWDBTG-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88742;MM88742;C=C(CO)CN=CN(C)C;XMEAGKHNRBBOTA-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88743;MM88743;C#CC(=NN)OCCC;UIDNELYZJRZODP-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88744;MM88744;C=CCOC(C=NO)=NN;FQQRFQGJUVYAHE-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88745;MM88745;CC=CC(=NN)ONC=O;YIHLSAWBQQIJMK-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88746;MM88746;CC=CC(=NO)ONC=O;PKCUDODJZOSOIN-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88747;MM88747;C=NNC(=NC)NC(=N)N;KEIHKCFWSPJDEA-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88748;MM88748;C=NNC(=N)NC(=N)N;SQXLXBITQCFNJN-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88749;MM88749;COCC(=NN)OC(C)C;WRMSYBMUBROCKX-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88750;MM88750;C=CC(=NN)OC=O;HWOBKHICVSZPRI-UHFFFAOYSA-N;114.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88751;MM88751;C#CCNC(C=NN)=NO;MMFPKDNXSODUOJ-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88752;MM88752;C#CCNC(C=NO)=NO;RSUOAGBWDWGBQQ-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88753;MM88753;C#CC(=N)N(C)CC;YJDANQUVDNQDJV-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88754;MM88754;C#CCOCOC(C)=NN;UXHRBOBQXROLEZ-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88755;MM88755;C=CC(=N)N=C(NC)NN;OGGYNSVYXMFXHG-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88756;MM88756;COC(C)(C)ON=CCF;KGBKVLOMSDWTGH-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88757;MM88757;C#CCOC(C=NO)=NN;NXFXPCYZBNYTKE-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88758;MM88758;C#CCOC(C=NN)=NO;GUONZXMXONYLJO-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88759;MM88759;CC(C)C(N)CCCN;XJMFFJYZSJMGGP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88760;MM88760;CCC(N)C(C)CCN;LZEHBXAZHLVXLW-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88761;MM88761;C=CCN(C)NC(=O)C=C;PCXAHAVASMJIAT-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88762;MM88762;O=CC(CO)=NN=CNO;DXKJEHDIJMYEHZ-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88763;MM88763;CCN=C(NO)C(F)C#N;UZPHWKBXAGJCTR-UHFFFAOYSA-N;145.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88764;MM88764;CNC(C=CN)=NC=NO;NJXIFRAPJZGEGM-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88765;MM88765;C=CN(N=C)C(=O)NC;UJCRZSSYCZFOFP-UHFFFAOYSA-N;127.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88766;MM88766;CNC(C=CF)=NC=NO;WZKUCXKOVVIKRI-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88767;MM88767;CN=CN=C(NC)N(C)N;QMZWOSLITZUTES-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88768;MM88768;NC=CC(N=CNO)=NO;JDCHANPPEKNCEJ-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88769;MM88769;ON=CNC(C=CF)=NO;YUYFEIBBILOODY-UHFFFAOYSA-N;147.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88770;MM88770;C=CN(C)C(=N)NOC;PRWZWDNIIYTSDB-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88771;MM88771;COC(=NC(=N)NN)NN;XOVLJFURXABUMR-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88772;MM88772;C=CNC(=NN)NC=CC;LNBBCHZDLVVRHX-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88773;MM88773;NN=CC(N=CNO)=NO;FJNARPIJLWEYIC-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88774;MM88774;C#CC(C=O)OC=NNC;QZPGCFKQBFQAID-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88775;MM88775;C=C(C#N)C=NOCCO;OXEJZLJIGFWXAC-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88776;MM88776;CC=NNC(C=NO)=NC;WYWLLXANOVHECD-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88777;MM88777;CC=NN=C(C=NO)NO;SRYGCOVVYVBOGM-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88778;MM88778;CC=C(C=NN)OC=NO;MZZKSUZRMNAMRB-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88779;MM88779;NN=C(C=CF)OCCO;FLUCJWDCLJSDMN-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88780;MM88780;NC=C(C=NO)OC=NN;GVYYQUSCFOPCBB-UHFFFAOYSA-N;144.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88781;MM88781;NC=C(C=NO)OC=NO;FCWYEGKQLPFTCU-UHFFFAOYSA-N;145.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88782;MM88782;C=NN(C=CC)C(N)=O;ZNWSWYFWKJBBGV-UHFFFAOYSA-N;127.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88783;MM88783;C#CC=NOCOCC=O;CPRFBQSQCAHSBS-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88784;MM88784;CC=CC(=NN)OC=NO;COHYKAISGMNUKF-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88785;MM88785;C=COC=NNCC(C)=O;WPNRAKVUOOOYKS-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88786;MM88786;CC=CC(=NO)OC=NO;WNXOGPKUILYUFO-UHFFFAOYSA-N;144.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88787;MM88787;NC=CC(=NO)OC=NO;YTIYJCAHJAQDEF-UHFFFAOYSA-N;145.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88788;MM88788;C=C(OC)C(=NNC)OC;CTDUSDXKMSJAHQ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88789;MM88789;CC=COC(C=NO)=NN;GRLFWFCVQRXUHB-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88790;MM88790;NN=C(C=NO)OC=CF;SKDCNYIUHOHEHV-UHFFFAOYSA-N;147.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88791;MM88791;CC=COC(C=NN)=NO;HSYSDZJEZJDLHK-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88792;MM88792;COC=COC(C)=NN;CCAXDYJNRXUYRY-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88793;MM88793;C#CCONC(=N)NCC;WIWNSDLHVQOASE-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88794;MM88794;CC=NOC(C=CN)=NO;WGDSVBZBXKAIGF-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88795;MM88795;COC(C(=N)N)=C(N)C#N;JSQKRFRNNGELQL-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88796;MM88796;CC=CC(=N)N(C)NC;FSHCMQBXXSBPNV-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88797;MM88797;C#CCCONC(=N)NC;FNWXDLAAHSICMX-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88798;MM88798;COC(C=NO)=CC(C)N;GZXVRQWVIBCNNZ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88799;MM88799;NN(C=O)C(=O)CO;FSXRYALJQURZCW-UHFFFAOYSA-N;118.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88800;MM88800;C=CNC(=O)N(C=C)N=C;FZUIPPTZJHIJME-UHFFFAOYSA-N;139.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88801;MM88801;CC(OC=NO)C(C)(C)N;NCXABOFFYDXVBI-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88802;MM88802;CON=C(CC=O)C(C)O;SQVPPAPFJQRWKT-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88803;MM88803;CC#CC(=NO)OCCO;ZZJCJRSVOXHPNC-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88804;MM88804;CC#CC(=NO)OCOC;ZWADTBZWVAHMFZ-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88805;MM88805;CNC(C)C(C)C(C)(C)N;LRUKGEFHUVVVRU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88806;MM88806;CC#CC(CNC=O)=NO;DLWQLXOPMVZZED-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88807;MM88807;C=NNCC(C#CC)=NO;XATZLLMACZBBBK-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88808;MM88808;C=COC(=O)CNC(C)=N;NRNHCFUBYUHGAV-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88809;MM88809;CC#CC(=NO)NCC=O;PFGVACWTZSMNCJ-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88810;MM88810;CN(C=N)CC#CC=NO;FELYGGKCJSJKTI-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88811;MM88811;CNC(N)=C(C#N)CO;UFDGMEUZMAMOSW-UHFFFAOYSA-N;127.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88812;MM88812;C=C(CO)OC(CC)=NN;DRMBCJYMAXJZQV-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88813;MM88813;CC#CC(=NO)OCC=O;GHQJCRLWQMZYKC-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88814;MM88814;CC#CC(=NO)OCC#N;FBTJMXBMIOJOSI-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88815;MM88815;CC#CC(=NN)ONC=O;AWZZJOXPYLGUJV-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88816;MM88816;N#CC(C=O)NN=CCF;RHTUWGJICBXXDA-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88817;MM88817;CC#CC(=NO)ONC=O;KAHFYPBWRJDVIE-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88818;MM88818;C=CN(O)C=NOC(C)=O;PMJLFWKHHIBEQA-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88819;MM88819;CC(C)(C)N=C(C=O)NO;UHMOYNCOOYKNDG-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88820;MM88820;CC#CC(=NC=NO)NC;OYBJTSGYVHKJGG-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88821;MM88821;NN=C(C#CCCO)CF;RQEYUKPNDXVDDY-UHFFFAOYSA-N;144.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88822;MM88822;C#CC(CC=O)=NOC;KYZIEFPYMXBRIF-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88823;MM88823;N=C(N)NNC(=NO)NN;JQIGIGDPRYVAKM-UHFFFAOYSA-N;147.14;-2.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88824;MM88824;CC#CC(N=CNO)=NO;KINDEJFOLGCGOI-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88825;MM88825;CC#CC(=NN)OC=NO;OYOXEXKSDLXNTJ-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88826;MM88826;CC#CC(=NO)OC=NN;UQLRFZDROPKMCU-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88827;MM88827;CNC(=N)C#CCC(C)N;XSBRBYVHCPXGEK-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88828;MM88828;CNCC(C)CC(N)CF;HWAAWBITWCRKSJ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88829;MM88829;CNN=CC(O)C(=N)NC;HMGHQAVAPOFSMW-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88830;MM88830;C#CCC(N)CCCNC;BZGHSGVVZIDBSK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88831;MM88831;C=CN(O)C(=N)NC;SZWHNFYXBZFPJG-UHFFFAOYSA-N;115.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88832;MM88832;COC=CC(CO)CCO;HRZZUIJMRORHMW-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88833;MM88833;C=C(CCN)CCNCC;VLAUXASFLDYLHO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88834;MM88834;C=CC(C=C)CC(C)NC;VUZRFCWMQNNMQC-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88835;MM88835;CCC(N)C(C)C(C)CN;QMJWTKDANXKIIS-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88836;MM88836;CC(=O)CON=CCF;DYNJQOKTGIBXOH-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88837;MM88837;COC=CC(CO)COC;GPWJYJRTYFFZMN-UHFFFAOYSA-N;146.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88838;MM88838;C=C(CC)NC(=N)CO;IUFRVBFHCATIRM-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88839;MM88839;CCC(C)C(N)CCCN;GWXFUXYKNMWNJZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88840;MM88840;CN(CC=O)C(C#N)CF;YZVILQAHHUADMH-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88841;MM88841;CN=CNC(C)C(C)NC;OOCSPUOFNYOYTP-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88842;MM88842;CCN=C(CO)N(C)C;XMWYTMLFUSPMFI-UHFFFAOYSA-N;130.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88843;MM88843;CNC(C(C)C)C(C)CF;MJPLYGBKLCPGPK-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88844;MM88844;C=CC(C(C)C)C(C)NC;KNRRZOSEUFXMMW-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88845;MM88845;COC(C=CCO)CCO;QGQVUWYJDCDWLF-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88846;MM88846;COC=CC(CCO)OC;FYFIXSVNBMUJRK-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88847;MM88847;C=C(F)C(CN)CCNC;KZCAXTGQPSSATH-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88848;MM88848;COCC(C=CCO)OC;MMSZCYDLWAAGHE-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88849;MM88849;COC=CC(COC)OC;SWYBVXRCTVIAGD-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88850;MM88850;C=NN=CC=NNCC#N;YDIHXYKIQLVGAT-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88851;MM88851;CCN(C)C(CO)=NC;DNGAJSCGNIPKPR-UHFFFAOYSA-N;130.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88852;MM88852;CN=C(CNC=N)N(C)N;WBCRNXIBMNVMIZ-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88853;MM88853;C=CC(C=C)CCNCC;UIENLCQIPUHCIZ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88854;MM88854;C=C(COC)N(C=N)CC;FEMCBDPZRWEZOW-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88855;MM88855;CNCC(C)C;QKYWADPCTHTJHQ-UHFFFAOYSA-N;87.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88856;MM88856;CCOC(C=CCO)CO;WWSMKHVHJBAPOU-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88857;MM88857;CCOC(C=COC)CO;LUVIHCZCVSPMJP-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88858;MM88858;C=CC(=N)N(N)CC;FLBNPEYDWPZVJK-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88859;MM88859;CCOC(C=CCO)OC;HLEDMWVQVQIGDU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88860;MM88860;CNCCC(C)CCN;GBBRXTGKAQWUQQ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88861;MM88861;C=C(C#CC#N)C(=N)N;IXXGLVBVRYMQMY-UHFFFAOYSA-N;119.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88862;MM88862;C=C(CNC)CC(C)(C)N;UNYFHUSOQRGAPF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88863;MM88863;C#CCNN=COCCF;VUDJABTUTXVVGR-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88864;MM88864;CNC(=N)NO;CMSVKEVOBXPEHI-UHFFFAOYSA-N;89.1;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88865;MM88865;C=NN=C(NC)NC(=N)N;KEIHKCFWSPJDEA-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88866;MM88866;CCN=C(NC)NCC=O;NHYJHYHYMPXKQR-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88867;MM88867;C#CC(=NN)NNC(=N)N;HOLVGOCYYCKYSC-UHFFFAOYSA-N;140.15;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88868;MM88868;CN(N)C=NOCC(=N)N;AQZVBNDNHZYFAQ-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88869;MM88869;O=CC=CC(CF)CCO;IDSBMSFCRSAVJP-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88870;MM88870;C=C(CCN)CC(C)NC;DZTDMYJYMRERDH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88871;MM88871;C=CNC=NCCC(C)N;GTXYIYBUFCXWFQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88872;MM88872;COC(C=CC=O)CCO;OCTUXUHENMOHJP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88873;MM88873;COC(C=CC#N)CCO;SDHYIQKBTSNCMM-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88874;MM88874;CN=CN(C)C=CCNC;BZEXTOHWPWETES-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88875;MM88875;C=C(CC#N)C(=N)NNC;NTWZSDXVFVKVKL-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88876;MM88876;C=NN=CC(CO)COC;HZMMHTMTHUQMAC-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88877;MM88877;C=CC(N)(C=C)C(=N)NC;WDXZDIIVRPOWEG-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88878;MM88878;C#CC(=NN)OC(C)C;DZQQDNVSDSSQOA-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88879;MM88879;CCC(CC)(CCN)NC;KYORCACOOXVTBD-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88880;MM88880;C#CC(=CF)NC(=N)NC;KWSHWIUXUTULHM-UHFFFAOYSA-N;141.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88881;MM88881;CNC(C)C(C)C(C)NC;JUWMZBPYDLGIDU-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88882;MM88882;CCOCC(=NN)OC;DLIZSCVCUUIONX-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88883;MM88883;C=CN(C)C(=N)N(C)OC;UKFQWXPKERHRNO-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88884;MM88884;CCN(CCO)N=CC#N;OARNTNPFCHWIRZ-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88885;MM88885;CCCNC(C)C(C)CN;UPCVWWIANUPLJF-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88886;MM88886;C#CC=NNCC#CC#N;WVKDUOJRSPKFBI-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88887;MM88887;CC(O)C(=O)N(N)C=O;WEUKRQFDNGEZCN-UHFFFAOYSA-N;132.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88888;MM88888;C#CC=CC(CO)CCO;BNDWZQJNDPLLTM-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88889;MM88889;C=COCC(C)C(=N)NN;OJJAZIKKHHRWEG-UHFFFAOYSA-N;143.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88890;MM88890;C#CC(C)C(CF)NC=N;QCEAIIHOVIAOQR-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88891;MM88891;C=CC(COC)N(C)C=N;UBKXWEOTJXYBOR-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88892;MM88892;C#CCC(CN)CCNC;SZWHMCLEERSHIE-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88893;MM88893;COC=CC(CO)CC=O;UTHYYHYGFFSBHW-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88894;MM88894;COC=CC(CO)CC#N;CVKKDBYUPZBKAK-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88895;MM88895;C=CCN(C=N)CCOC;ZABUEDCJDYFIKF-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88896;MM88896;C=CCCN(NC)C(C)=N;VSOIKZINQABNSQ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88897;MM88897;COC(C=CCO)CC=O;BXWNPMHIBSCOKS-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88898;MM88898;COC(C=CCO)CC#N;ZUFFQFBNQMIRAI-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88899;MM88899;CNN=COC=CNC=O;MCDXHFSDQGWGRU-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88900;MM88900;CC(C)(C#N)ON=CCO;KCKTYVJHSNJBMH-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88901;MM88901;CNCCCC(CN)CF;GUUPISOUTHEIAM-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88902;MM88902;N#CCN(C=O)NCCO;BEKUWGZAILEICK-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88903;MM88903;CNC=NC=CC=NNC;ISTQPHAQSMAKRS-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88904;MM88904;CNC(=NN)NCC=CF;UMTAZIKDRZTIEB-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88905;MM88905;N=C(N)C=CF;NBHZNBLZEGXVFE-UHFFFAOYSA-N;88.09;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88906;MM88906;CC#CC(=N)NC;XEOHVBLXDGTLES-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88907;MM88907;CNCCC(C)CN;ZFYMCLAYUICHCI-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88908;MM88908;CCC=CC(CO)NC=O;OYYLCXOVDVGGGE-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88909;MM88909;CNC(=N)N(N)C=NN;LILAFFVQMRBUNH-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88910;MM88910;C=COC(C=CCO)CO;MOBIIQAGVGUYBB-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88911;MM88911;C=CN(C=N)CCF;LZCPOAOSNNUSTQ-UHFFFAOYSA-N;116.14;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88912;MM88912;N#CC=C(F)CNC=N;YSNDWLDLZJPOFQ-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88913;MM88913;N#CC(=O)CN(C=N)C=O;AOVXVNTXLQUEPX-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88914;MM88914;C=COCCC(=N)NN;XPHSDPRKNOLVSM-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88915;MM88915;COCC(C)C(=N)NN;VQDNHDWHMSSLJE-UHFFFAOYSA-N;131.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88916;MM88916;CN=C(NC=N)N(C)N;SQXPBHSCTIUKRU-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88917;MM88917;N#CC=C(CF)C(=N)N;GHWAUMDWUXEHGF-UHFFFAOYSA-N;127.12;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88918;MM88918;CNN=C(C)C(=NN)OC;PSAHLHLQWQBPLJ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88919;MM88919;CNN=C(C)OC(C)=NN;CBUNLBSKGPEKPE-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88920;MM88920;CNN=COC=CC=O;TYOWIQVMJSYZNA-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88921;MM88921;CN=CNC=CCC#N;UAASHVWNDJLPGR-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88922;MM88922;C=C(C)CC(C)NC(C)C;AVUCMIOQDKRHSU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88923;MM88923;C=CCN(C)NC(C)=O;IUAZNLBOGXUZQM-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88924;MM88924;C#CC(CN)CC(C)(C)N;PDRRLXQJYXTFTA-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88925;MM88925;CNC(=NN)C(=N)N(C)C;DGFZDEYYZSKEEJ-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88926;MM88926;CN(C)NC=O;ALTGURJQVWBILJ-UHFFFAOYSA-N;88.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88927;MM88927;C#CC(O)C=COC=NN;WICHBOAXZURTNA-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88928;MM88928;COCC(C)(C)C(=N)NN;HFEABYDEVRAZOG-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88929;MM88929;C=C(C)CC(=N)NNCC;UUYSDSHZAOQVII-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88930;MM88930;C#CC(CO)=NN=CNO;RXXWYXINCGWEIL-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88931;MM88931;CC(N)CCC(N)CCF;XDUYTOOUMBVQLU-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88932;MM88932;CON=CC(F)CO;KMCJZBAFPRHVBM-UHFFFAOYSA-N;121.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88933;MM88933;N#CC(CO)=C(N)CO;ASTHBTGUWYFBBZ-UHFFFAOYSA-N;128.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88934;MM88934;C=C(C)C(=N)N(C)N(C)C;XZYHNFFGFVQZGV-UHFFFAOYSA-N;141.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88935;MM88935;N#CC=CC(CO)CC#N;JOMRYRMVJSIIAH-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88936;MM88936;N#CC=CC(CF)CC#N;PSHOETCZEWQHDZ-UHFFFAOYSA-N;138.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88937;MM88937;C=C(CO)OC(C)=NN;KAQVVGAOQAJJON-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88938;MM88938;COC(C=CC#N)CC#N;ZOKADUGBGFOJKS-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88939;MM88939;CN=CN=C(CF)N(C)O;DMVRJXFBIIBZLQ-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88940;MM88940;C=NN=CC(CF)NC=O;WIEBPRBLINWBGM-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88941;MM88941;CC=C(C)N=CNC(=N)N;WYPNBUGWDCDWRD-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88942;MM88942;CCC(C)=NN(C)C(N)=O;JRTGQKPZZWPNBM-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88943;MM88943;CCC(C)=CC(=N)NNC;XQNXBBTYCATJOQ-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88944;MM88944;C=COC(C=NN=C)CO;CBQSNUAVIBRZAD-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88945;MM88945;NN=c1oc(N)c(N)o1;ISKUHMMBQVKONJ-UHFFFAOYSA-N;130.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88946;MM88946;CC(N)CC(CF)C(C)N;QSVRKPUZWGMRAD-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88947;MM88947;C#CC=COC=NN;ZQWOTORPXBFBAW-UHFFFAOYSA-N;110.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88948;MM88948;CNCC(C)C(C)C=CF;SYMFXLQEDCTGRO-UHFFFAOYSA-N;145.22;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88949;MM88949;C#CC(C#C)OC=NN;NBXSDSGFMHGFIQ-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88950;MM88950;CNCC(C)C(C)C=NN;OAKQFLLEQHWDFU-UHFFFAOYSA-N;143.23;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88951;MM88951;C=CC(N)CCC(C)NC;WVNAZHMLQQLOCS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88952;MM88952;CCNNC(=N)CC=CF;KNSPBNKRSCQJNS-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88953;MM88953;C=CCN(C=NC=O)OC;MTFDSEXDOWILSA-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88954;MM88954;C=C(CN)C(C)CNCC;SJIUMBGVOOPXHO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88955;MM88955;CON(C=NC=O)CC#N;GWTFOMUKOSMDAS-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88956;MM88956;CC(C#N)=C(F)CNC=N;SARSCXMFROMEAI-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88957;MM88957;C=C(CN)CCCNCC;HRVVHDTYYANAHJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88958;MM88958;CCN(C=CC#N)NC=O;HVGNTPMIUCNSFQ-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88959;MM88959;CCN(CC#N)N=CC#N;KIWSDTRHMJHPSN-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88960;MM88960;C=C(CN)CCNCCC;ROLJJDDBXRHFIZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88961;MM88961;N#CC=C(N)C#CCO;RUUPMOIDPIOMRT-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88962;MM88962;C=CC(CN)CCCNC;LSBQHKKBQKRULH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88963;MM88963;C#CC(OC)C(=C)NC=N;CJDPGMQYNTVSSJ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88964;MM88964;CC(C)C(C)(C)N;YQNVPNRHJFZONU-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88965;MM88965;CCC(C)(N)CC;VQMPTVQCADWACQ-UHFFFAOYSA-N;101.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88966;MM88966;CNCCCCN;RMIVMBYMDISYFZ-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88967;MM88967;CNCC(C)(C)CCN;JBWLQPPGYPMSDV-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88968;MM88968;C=CC(=N)N(C)N(C)C;ROQDOSFUSKWUCZ-UHFFFAOYSA-N;127.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88969;MM88969;C=CC(CN)CCNC;OXCRYIFSBAQTEZ-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88970;MM88970;C#CCN(C=NC=O)OC;NANWXYOYWGLRHT-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88971;MM88971;CC(C)(N)CC(F)CCN;BXNOVEVZJSPSAS-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88972;MM88972;C=CC(C)(C)C(=N)N(C)N;ZKCHSUMMNYMCSG-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88973;MM88973;COC=CC(C=O)CCO;XZGJLPQFZGGVPN-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88974;MM88974;COC=CC(C#N)CCO;CAXTULINZSAYCU-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88975;MM88975;CCNNC(=N)C=C(C)C;PSHNBBLZXYOMBM-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88976;MM88976;C=C(NC(=N)CN)C(C)C;YMZXDEZQDXOMAV-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88977;MM88977;CN=C(CNC=NN)NC;RLPYLDHMEFKNME-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88978;MM88978;CC(C)OCCC(=N)NN;VHNQSDDUSJBRJZ-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88979;MM88979;COCC(C#N)C=CCO;JFJYRHHDDZHWDZ-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88980;MM88980;COC=C(CO)OC=NN;CEUBVYUGUSHWIU-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88981;MM88981;CNN=C(CO)CF;IPXDPHYRZGZBIP-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88982;MM88982;CC#CC(=N)NC(=N)NC;HZOVBJASGAZYAQ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88983;MM88983;C=NN=C(CCO)N(C)O;LMUGYGRQIUJHSH-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88984;MM88984;CC=C(C)CC(=N)NNC;YEBAKLWIEKJFOR-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88985;MM88985;C#CC(=O)C(=NCC)NO;BOJFNNSYLIIBGR-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88986;MM88986;O=CC(F)=CNN=CCO;YRCPTEUJBJLGLI-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88987;MM88987;C=CNC(=NOC)C(N)=O;QNKIKISMLIWZQA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88988;MM88988;C=NN(C(=C)C)C(N)=O;RTFVGJMVXLKFEZ-UHFFFAOYSA-N;127.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88989;MM88989;CC(=O)ON=CCCO;HZYQYJBJCWRKIC-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88990;MM88990;C#CCNN=COC=C;HDSSFYODYQDBFC-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88991;MM88991;CC(=NN)OC(C)=NN;DVGUBXUERYRWOB-UHFFFAOYSA-N;130.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88992;MM88992;C#CC=COC=NNC;IJYBOQKKMYXFHV-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88993;MM88993;C#CC(C#C)OC=NNC;IENRFLUMJVLZGU-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88994;MM88994;COC(C=NN)=CC(=N)N;BWYMIXYSOXXUHC-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88995;MM88995;C=CNC(C=NN)=NN=C;LKAGKNGEHJAPMZ-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88996;MM88996;CCOC(COC)=NN;JNZWJQNPNWKRIT-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88997;MM88997;C=CC(CC(C)N)C(C)N;ZXZCMTNGXUHGJA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88998;MM88998;CNNC(=N)C=CCC#N;KQFXRMSLVHEEKN-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM88999;MM88999;CCC=NOC(=O)CO;AVQKIFSFOGKMRU-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89000;MM89000;C=C(CN)CCC(C)NC;RDGFPFHTHFZXIN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89001;MM89001;CC(CF)N=C(NN)NN;NKOJHRHLMSRZKC-UHFFFAOYSA-N;149.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89002;MM89002;CCN(N)C(=N)NC=CF;WNHYQMKSASDOOR-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89003;MM89003;CCC=NOC(N)=O;SXGZOWIQTSRPHX-UHFFFAOYSA-N;116.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89004;MM89004;C#CC(F)=CNC(=N)NC;MFOZDPAKDNUOJD-UHFFFAOYSA-N;141.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89005;MM89005;C=C(CN)C(C)C(C)NC;PQNRYOYJVYBDCD-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89006;MM89006;O=CCOC=NNCCF;LIHDSETWXYUWMY-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89007;MM89007;CCON(C=O)C=CCO;SKQVJXDMSOLYJC-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89008;MM89008;CCON(C=O)C=CCF;YXIWZASWYGHEBO-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89009;MM89009;CC(C#CC#N)=CNC=N;QJAVSJJEJQOADS-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89010;MM89010;CON=COC(C)(C)CO;BBOHXSVPSJONFO-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89011;MM89011;CCON(C=O)C=NNC;MIKSALPQPKUJDV-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89012;MM89012;C=CC(F)C(CO)=NN;SQOUQFHATHWYGO-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89013;MM89013;C=CCOCCC(=N)NN;NCBZZLFNJGIZRD-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89014;MM89014;CCC(NC=N)C(C)=NN;DAONXMSOJWIZBU-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89015;MM89015;N#CC(C=CC=O)CCO;XEESXWDKNILTLY-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89016;MM89016;N#CC=CC(C=O)CCO;XTGDIJUPOSKNJJ-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89017;MM89017;N=C(N)NC(=N)NC=O;HRMZCAWIHAJTDJ-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89018;MM89018;COCC(C#N)C=CC#N;HPQIMCHRXKGCBF-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89019;MM89019;C=CN(N)C(=NC)NC=N;NHWGOPQWOIWGSU-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89020;MM89020;C=NN=CC(CO)=NN;QCOLDOBJIXEQKU-UHFFFAOYSA-N;128.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89021;MM89021;C#CC(CNC=N)=NN=C;PXAILSPZRCZKKL-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89022;MM89022;C#CC(=CNC=N)CCF;AAHHQIMSUNDVID-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89023;MM89023;C=CN(O)C(=N)NCC;XIDGCZQHWVJMTK-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89024;MM89024;CCN(C)N(CC)C(C)=N;LWZMQVTWUXMADH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89025;MM89025;C=C(C)C(CN)CCNC;OVONRBBJAHIONH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89026;MM89026;C#CC(C=CC#N)C(=N)N;UIIPLOSCLBCECW-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89027;MM89027;CC(C)NC(C)C;UAOMVDZJSHZZME-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89028;MM89028;C=CCC(=N)N(C)N;XGUQPDPGNMDHQY-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89029;MM89029;CC(=N)N(N)C(C)C;YTLREVCEIPJLOL-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89030;MM89030;C=C(F)C(=C)C(=N)N;HDDAKQHECYAADE-UHFFFAOYSA-N;114.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89031;MM89031;CNC=NCCOC;PYBCCLBPTGBYKC-UHFFFAOYSA-N;116.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89032;MM89032;N=CNCC(F)=CC=O;OJWWVDWJVBIFRC-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89033;MM89033;C#CCC(=NN)OCCO;SOMCQOYGMYAJMR-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89034;MM89034;N#CC(F)=C(N)C(=N)N;ODNNODGARMBNNF-UHFFFAOYSA-N;128.11;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89035;MM89035;CNCCCC(C)CN;NMEUJUJNSQDOFG-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89036;MM89036;N#CC(C=CCO)CC=O;HGIQWXKTTIZUGZ-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89037;MM89037;N#CCC(C#N)C=CCO;FONHKXVMJOQDGU-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89038;MM89038;COC=CC(C#N)CC#N;OGTUFPRMIDMHGV-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89039;MM89039;CCC(C#N)=NN=CNO;LROCLHKBBHVQOR-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89040;MM89040;NN=CC(F)=CCO;QXARZSDWLGXVLQ-UHFFFAOYSA-N;118.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89041;MM89041;C=C(CCNC)CC(C)N;SMNLBINITXUJGX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89042;MM89042;CN(C)C(N)=CC(=O)CF;FOXLBYABIKZISH-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89043;MM89043;COC=CC(C#N)NC=O;DNBBWRNAGIHXCR-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89044;MM89044;C=CN(O)C(=N)NCCC;BLSTTYMOFWFAHX-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89045;MM89045;C=CCOC=NNCC#N;NQASDORRMDCSNB-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89046;MM89046;CCC(C)(CCN)CNC;ZJSZAUMWADUATQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89047;MM89047;CC(C)NC(=N)NO;OITVEDMMUMUWTL-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89048;MM89048;CNN(CC(C)C)C(C)=N;MAIBWPWXVNRFME-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89049;MM89049;C=COC(C#N)C=CCO;BXBCFPSEERYRTL-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89050;MM89050;COC(C)=NNCCC#N;SZOHPIPEDDJQNP-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89051;MM89051;C#CC(=NNC(C)C)OC;CXCVRJOYCWJYIR-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89052;MM89052;CC(C)CNC(=N)NO;IZMFTNDTIFWYCE-UHFFFAOYSA-N;131.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89053;MM89053;C=C(CCN)CCCNC;YHUNKJUZALTEKO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89054;MM89054;CCC=CN(C=O)CC#N;LQJZLKKRZSATDD-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89055;MM89055;N#CCN(C=O)C=CCF;QZGVOJSBBZDDDV-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89056;MM89056;COCCNC(=N)COC;QOLFEWYPUUNICS-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89057;MM89057;C=CCN(C=O)C=COC;VTULFQMGRKEBNT-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89058;MM89058;COC=CN(C=O)CC#N;IKYRXTGGZAXOEM-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89059;MM89059;C=C(CCN)C(C)CNC;ZOBDCUYYAPBRQF-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89060;MM89060;C#CC=NNC=CC#N;OYOANVIIBITFLQ-UHFFFAOYSA-N;119.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89061;MM89061;CN(O)C(C=O)=NC(=N)N;GZVSXRVLTWCQTD-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89062;MM89062;CNN=C(C)OCCC#N;MMSXUXYLPDRJJJ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89063;MM89063;CON=CC=NOC=NN;VMXPKEQMTJMAOK-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89064;MM89064;C=CCC=C(CO)NC=N;RQEYLAKPARRDFR-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89065;MM89065;CC(C)C(N)C(C)CCN;JZRPOUVDGKLJIH-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89066;MM89066;C=C(C)N(C)C(=N)COC;BIHDVRUBMIQZJB-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89067;MM89067;C=CCN(C=O)C=NOC;TVGDEQFOTGTXGH-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89068;MM89068;C#CC(OC)OC=NN;SVLLZKQSGMSHTR-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89069;MM89069;C=CNC(=NC=NN)NC;YXHRKATZJMRQBN-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89070;MM89070;N=CNC=C(F)CNC=N;UUQDHSVWGNFOOX-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89071;MM89071;CN(C)C(=NN)N(C)N;OMSNKYAJDCEIBA-UHFFFAOYSA-N;131.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89072;MM89072;CNN=CN(C=O)NC=O;VTISNBZBUJTHOD-UHFFFAOYSA-N;144.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89073;MM89073;C=NN=COCC(=N)NC;GQJXFMLBRDECKM-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89074;MM89074;CNN=CN(C=O)OC=O;FSFAYPBQVBADIN-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89075;MM89075;C=NOC(CNC=N)OC;AFMHKYYJSKSPTR-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89076;MM89076;C=CC(CCN)CCNC;CZKVUTNXIAVRTO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89077;MM89077;CN=C(C#N)NOCC#N;OHCKHUULRIBJPO-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89078;MM89078;CC#CC(CNC=N)=NN;YUMCDWQEZJGUMA-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89079;MM89079;C=CC=CC(C=O)CC#N;QZKAQRPYENXWFY-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89080;MM89080;N#CC=CC(C#N)CC=O;LEZAAZCVUZAYFT-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89081;MM89081;N#CC=CC(C#N)CC#N;LIMRITYUYRYCGO-UHFFFAOYSA-N;131.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89082;MM89082;COC(CNC=N)=C(F)F;XYVFWWGMIWLYOD-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89083;MM89083;CCN(C)C(=NN)N(C)N;UWPMKOGIHGACQN-UHFFFAOYSA-N;145.21;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89084;MM89084;N#CC=CC(C#N)NC=O;FTIWMOJWUKPPKE-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89085;MM89085;C=CC(C=C)CNCCC;PYQZRDWRJGVJDB-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89086;MM89086;C=NN=CC(C=O)NC=O;KXSVMBQVUGOIKV-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89087;MM89087;C=NN=CC(C#N)NC=O;OIAYMBHFXHPPKE-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15746;MM15746;N#CC=CC(C=O)OC=O;UOHGLUFTTPHECF-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89088;MM89088;N#CC=CC(C#N)OC=O;UOSRTIGRVBJCDT-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89089;MM89089;C=CN(CC)C(=N)CNC;NAXNLWQWIJZVDZ-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89090;MM89090;C=CC=CN(C=O)CC=O;FAVCWPIEHXLXCO-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89091;MM89091;N#CC=CN(C=O)CC#N;TZSLEVZTAZZITP-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89092;MM89092;CN=CNCCOCC#N;JYLNBSZOGOHNDR-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89093;MM89093;C#CC(=N)N;XJWHSATWBUVHPQ-UHFFFAOYSA-N;68.08;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89094;MM89094;C=C(F)CNC=N;GDCXDNPTUTWGQG-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89095;MM89095;CC(N)CCC(C)N;BBPXVYVXKAYBSS-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89096;MM89096;CNC(=N)C=C(C)F;SQLOIUACRHMASD-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89097;MM89097;C=CC=CC(=N)NN;JBXYKTAIHAHHND-UHFFFAOYSA-N;111.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89098;MM89098;C=NN=CN(C=O)CC#N;JIBIEKSJAVIXJT-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89099;MM89099;CN=CNC(C)CC#N;VMEUVCQPKDROBA-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89100;MM89100;C#CCC(C)C(C)NC;OTCSTNZIUYMXNP-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89101;MM89101;C=CC(=N)N(N)C=CC;GPFDHCURAAGRJX-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89102;MM89102;C=CC(CCN)CNC;LXHYYGLWFILGFX-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89103;MM89103;C=CC=CN(C=O)NC=O;CJJMRKZTYINJIT-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89104;MM89104;O=CN=CN(C=O)NC=O;GHOUDTGHHRVWMT-UHFFFAOYSA-N;143.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89105;MM89105;C=NN=CN(C=O)NC=O;GVTPPPKSJWGKEI-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89106;MM89106;CCN(C(C)C)C(C)C;JGFZNNIVVJXRND-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2";;;;;;;2.39;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89107;MM89107;C=CC(N)CC(C)CNC;SMXNQMAGGJZKAE-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89108;MM89108;C=CCC(=C)CNC=NC;DAFYNIOVZXYGJJ-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89109;MM89109;CN=CNCC(C)=CC=O;ATHHJOZYECXPMJ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89110;MM89110;C=C(NC=N)C(F)C=NN;UMZVDFYDUBGVCI-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89111;MM89111;N#CCCN(O)C(=N)C#N;NJTHPLGPRYOQRE-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89112;MM89112;N#CC(CO)=C(N)N;AGFHGGVCRWVYQM-UHFFFAOYSA-N;113.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89113;MM89113;C=C(C)N(C)C(=N)CNC;UNJSHCWCZVGUDH-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89114;MM89114;N#CC=NN(C=N)CC#N;HFEPPIGIAPAGQP-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89115;MM89115;C=CCN(C=O)N=CC#N;MGTBGVYRZVBTLL-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89116;MM89116;NN=C(CO)CF;OBEOJVZJHRDBNE-UHFFFAOYSA-N;106.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89117;MM89117;CN=CN(C)C(C)C(C)N;OBCDCTXZJAOZLQ-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89118;MM89118;N#CCN(C=O)N=CC=O;PKPDNWLPTQTNOE-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89119;MM89119;N#CC=NN(C=O)CC=O;YOFUDVDXQWEFTJ-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89120;MM89120;N#CC=NN(C=O)CC#N;GZKPYBYYLNYFNY-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89121;MM89121;CNN=C(NO)C(=O)NC;IDSBLEYTTKFGSZ-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89122;MM89122;CC=CC(CCN)CNC;SUFRTZBHKLOXDJ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89123;MM89123;C#CC=CC(C#N)NC=O;HWUMFAVRQSOPCM-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89124;MM89124;C#CC=CN(C=O)CC=O;BKJHYINPJJBQRN-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89125;MM89125;CCCN(C=NC)CCN;MSSWLSPAEXKWHY-UHFFFAOYSA-N;143.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89126;MM89126;C#CC=CN(C=O)OC=O;PUKRLDLKCGICHD-UHFFFAOYSA-N;139.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89127;MM89127;C=CCCONC(=N)NC;AKLQSGLWLJCFFO-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89128;MM89128;C=C(C)C(CCN)CNC;VHFKLXOLGMHHRN-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89129;MM89129;COC=C(COC)C(=N)N;HEXVAQUTSCQAND-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89130;MM89130;C#CCC(C#N)C=CCO;CWNOXUYZHQBQNM-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89131;MM89131;C#CC(C)C(C)C(C)NC;IAYFTNXPXGUSSN-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89132;MM89132;C#CCN(C=O)C=COC;OTOXJQCRBUYNNH-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89133;MM89133;COCC=C(F)CNC=N;JRQARXCIZJFQGI-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89134;MM89134;N#CCC=C(F)CNC=N;NCGIXCCKEUBYNI-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89135;MM89135;C#CCN(C=O)C=NOC;WUDCEBJMKTXHHS-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89136;MM89136;C#CC(CN)C(C)C=NO;IZMVGLBEMAWOPX-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89137;MM89137;CNCCC(CF)CNC;ANFCSBFCLHTLDL-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89138;MM89138;C=CC(CCCN)CNC;AAWPMFYIUDPJTF-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89139;MM89139;C#CC(C(=N)N)=C(C)NC;XECQYNFUINLOET-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89140;MM89140;C#CCN(C=O)C=CC=O;CUHXGNQMVXVFCV-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89141;MM89141;C#CCN(C=O)C=CC#N;SDZSLOTTWMEKLX-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89142;MM89142;CCNCCC(CN)CF;LLTUSFSDNMLELE-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89143;MM89143;CCCNC(C)C;VLSTXUUYLIALPB-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89144;MM89144;CC(CC(F)C=O)N=CN;HQFZCJGMKKQDQH-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89145;MM89145;C=CC(C=C)NC=N;ZUWIYBIERCFHMI-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89146;MM89146;C#CC=CN(C=O)CC#C;AZSUHFRCINUBDW-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89147;MM89147;C#CC(C=C)C(=N)N;GXKBAUQLQLZNNJ-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89148;MM89148;CC(N)CC(C)C(C)N;WVENESMVZIRPBC-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89149;MM89149;C=C(C)NC(=N)COC;HRFBGCNQBUNJMY-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89150;MM89150;C#CC(C=CCO)CCO;BDFKVYLXRPUQFR-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89151;MM89151;C#CC(C)=CN(C)C=N;YPICNSFUSWUMJP-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89152;MM89152;C=C(NC=N)C(F)CO;HJTVGKQIBJHNST-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89153;MM89153;C=CN(C=NNC)C(N)=O;FOEUMABQUBBTHC-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89154;MM89154;CN=C(N)C=C(C)C=O;TTZCOOGENAECPG-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89155;MM89155;CNC=NC(C)CNC;SCBGESXEQKNMJB-UHFFFAOYSA-N;129.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89156;MM89156;N#CC(C#CCCO)=CN;SBDNJTMRZHPQHC-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89157;MM89157;CCN(C)C(CN)=NC;HNZNPLADFTVNEB-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89158;MM89158;COC(=NN)C(C)=NN;HYDCRGLQJYOZLV-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89159;MM89159;C=C(C)CCCNC(C)C;XPRHIKUSBBDQGP-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89160;MM89160;C=CC(C)CN(N)C(C)=N;MHPZMTYYEOCNMF-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89161;MM89161;C=C(C)CNC(=N)COC;URSNASZTMRSRJT-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89162;MM89162;C=C(CN)CC(C)CNC;RHDXQJLTWZCYEI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89163;MM89163;C#CCOC=COC=NN;BODAPFXYMUSFNB-UHFFFAOYSA-N;140.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89164;MM89164;C=CN(O)C(=NOC)OC;BRAQNFYOZDEEKJ-UHFFFAOYSA-N;146.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89165;MM89165;C=C(C)NC(=N)C(C)NC;JQRDWTXVISJSNV-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89166;MM89166;CC(F)C#CC(CO)=NN;SLCSKWVXWDGBJX-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89167;MM89167;C#CC(C=CCO)OC=O;JQTOOVDMEIPGMB-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89168;MM89168;CNN(C=C(C)C)C(C)=N;KKJZTHXPDVNNAN-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89169;MM89169;C=CCNNC(=N)CC=C;IUYONQOWBJKGHT-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89170;MM89170;CNC(C)CC(CN)CF;GPFJUJZOSRQLHD-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89171;MM89171;C#CC(C=CC=O)CC=C;HLBSGYGLTCTTKF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89172;MM89172;C=CC(CNC)C(C)CN;AAVOYIRIYZZSDM-UHFFFAOYSA-N;142.25;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89173;MM89173;C#CC(C=NN=C)NC=O;SBOGAHLRLRAYDB-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89174;MM89174;C=CC(=N)N(C=C)NCC;FNSAPPBGDUEWOE-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89175;MM89175;C#CC=CC(C#C)NC=O;ZNQDITVQAKVECX-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89176;MM89176;CNC(C(C)C)C(C)CN;FKJRIABVPDDGFT-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89177;MM89177;COC=CC(C=NO)CO;KCQUCCAPNWDRST-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89178;MM89178;CCC(C)(C)NC;BUJFTKPQXSIZFX-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89179;MM89179;C=NN=C(CO)NCC#N;MVLIKASLVSSECF-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89180;MM89180;C=NN(C=O)C(=CC)CO;KPIHQAPTWUKOAI-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89181;MM89181;CC#CC(=N)N(C)C;CBPHKMJQALMSIE-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89182;MM89182;CCNN=CON=CCO;KIJCEKWDKSJINV-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89183;MM89183;C=COC(C)=NNCCO;IKISZAJWTFNGGJ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89184;MM89184;CNC(=N)C(=N)NN;XDANNIIYRPDIRD-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89185;MM89185;CON=CC(C#N)=CCO;SMPALEMPAQIKHE-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89186;MM89186;C=COC(CCO)=NN;IJPLMIJZCCQUSZ-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89187;MM89187;CNC(C)C(C)CCF;PWCLLLNYIVQUSU-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89188;MM89188;CON=COCCCO;QVYYJHRXKDVPEL-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89189;MM89189;C#CC(=C)C(=N)NC=C;DFXWNOZBKMVNIK-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89190;MM89190;CCN=CN(C=NO)OC;RKEXCEUMZCUUQT-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89191;MM89191;C=NN=CNC(=N)C=O;KXDDJFMYXQXVJL-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89192;MM89192;N#CC(=N)NC(C#N)=CN;OBZVVSKGLNDWCU-UHFFFAOYSA-N;135.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89193;MM89193;CCN(C=NO)N=CCF;ICKQJMMCALSRBY-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89194;MM89194;CCN=C(CN)N(C)C;ZSCCEUJNMNPOKM-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89195;MM89195;CNN=C(OC)C(C)=NN;JLRPMHINERVHNF-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89196;MM89196;CCN(C=NO)N=COC;ZIRRQCQDORDPGK-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89197;MM89197;C=C(C)NC(=N)CNCC;DHWZYKWSEDCXOI-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89198;MM89198;C=NN=CC(C=NO)CO;BUBVTAQWNOPAMM-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89199;MM89199;C=C(C)C(C)CNC(C)C;OCWZQLVYWZCQDH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89200;MM89200;C=NN=CC(C=NO)NC;BWOJENPQELZREH-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89201;MM89201;CC=C(C)C(=N)NN(C)C;HCXAXQBYNRVUHO-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89202;MM89202;C=CCNN=COCC#N;HDADPJGOMWBLKG-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89203;MM89203;C=CN(NC)C(=N)C(=C)C;LQAVFWFIWRJJPA-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89204;MM89204;CON(C=CC#N)C=NO;UJVLFDWVFBRFPY-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89205;MM89205;C#CC(F)(C=O)CNC=N;DAFAPGVCXIYKFT-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89206;MM89206;CCOCC=NOC=NN;SKKDIWRUPJZJSA-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89207;MM89207;C=NN=CN(C=NO)OC;OAOWVIQICJACTF-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89208;MM89208;C#CC(=NC)NC(=N)NC;VLRPEIFWTVJSCA-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89209;MM89209;C#CC(CF)OC=NN;LWYBJOSBHOUFHR-UHFFFAOYSA-N;130.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89210;MM89210;CCN(C=NO)N=CC#N;OXPOFCQTRQQLSZ-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89211;MM89211;CON=CC(C#N)CC#N;ORAOFKAVFWCRFQ-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89212;MM89212;C#CC=CN(C=NO)OC;RFYDAXVZQZBZMG-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89213;MM89213;CCCON(C)C(=N)NC;WWSOHBXQECKUAT-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89214;MM89214;C#CC(F)(C=O)C=NNC;AHKAGXZHBVCLQF-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89215;MM89215;C#CC(COC)C(=N)NC;GEKKMCGBWWZYSS-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89216;MM89216;CN=CNCC=COC=O;UTMZNBSJOZJNGQ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89217;MM89217;CNN=CC(C)(F)C#N;JWYCYIWXMMYGAK-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89218;MM89218;CCC(N)(CC)CC;JLEIRAYWBMNMKU-UHFFFAOYSA-N;115.22;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3";;;;;;;2.13;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89219;MM89219;CCC(C)C(C)NC;SLTPTOCULAQQIN-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89220;MM89220;CC=C(NC=N)C(C)O;LYCNCQDXCOIBAB-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89221;MM89221;CCC(C)NC(=N)NO;WDBQPSIRYCCLSO-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89222;MM89222;CNNC(=NN)N(C)C;JQGUHEXIZLPONI-UHFFFAOYSA-N;131.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89223;MM89223;CNN=CN(C=O)C=NN;QQQKGPHGVNJCPK-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89224;MM89224;CNN=CN(C=O)C=NO;DLQMUMCBEAPHSE-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89225;MM89225;CCN(N)C(=NN)N(C)C;ZCCGKMRTKXGZFD-UHFFFAOYSA-N;145.21;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89226;MM89226;C=NN(C=NO)C=NCC;MGVIPKZJVUIWSB-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89227;MM89227;CNC(=N)N(C)OC;KMNXLFCBLZMILG-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89228;MM89228;C=NN(C)C(=O)NC=CF;OUHVYOKPMZKVMD-UHFFFAOYSA-N;145.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89229;MM89229;C=NN(C=NO)C=NOC;QTDPLTOBSDEPFP-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89230;MM89230;CCNCCCCN;ONCPEIKLFULSSA-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89231;MM89231;CNC(C)C(C)C(C)C;POUSKDAGSKYCSR-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89232;MM89232;CCC(O)C(=NN)OC;QKWYTFVHBSITQO-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89233;MM89233;C=CC(O)C(CF)=NNC;ILECFBNPPYQRML-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89234;MM89234;CC=CCOC(CO)=NN;QMHCPTNXVPPTGN-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89235;MM89235;C=CC=CN(N)C(C)=N;ANSWQKUZQUSJKP-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89236;MM89236;C=C(C)N(C=N)C=CC;HDKUBSOTJCAFFJ-UHFFFAOYSA-N;124.19;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89237;MM89237;CC(N)(CCF)CCCN;JECOLVVCLYVGQH-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89238;MM89238;CC(=O)C(=O)C(=N)NO;RXRNFNLAMXTMCK-UHFFFAOYSA-N;130.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89239;MM89239;OCCON=CC#CCF;IBVJPYCQLUKNPI-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89240;MM89240;CC(F)=C(C)CC(=N)NN;IOCDISVUYZRESU-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89241;MM89241;C=CN(C(N)=O)N(C)C;MMSLPDYEXXZVEF-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89242;MM89242;CCC=NN(C=N)C=NO;IDUDZDLUUPATSO-UHFFFAOYSA-N;142.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89243;MM89243;CN(C=N)CC(=N)NC=N;UMJANNSSFJCPKN-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89244;MM89244;C=CN(C=NO)N=COC;ZESQOUSEYDKJAB-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89245;MM89245;CN(C=N)CC(F)=CC#N;AEQQXQRYVOWWOV-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89246;MM89246;COC=NOCCCO;QXYVDGSZZJPDMB-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89247;MM89247;C=CC=CN(C=O)C=NO;AJKQRNDEKFJITC-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89248;MM89248;CN(C)C=NC=CC=NN;ZXNYEACPJZQGTF-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89249;MM89249;C#CCNNC(=N)C=CC;FXNJXEXHLVLPDE-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89250;MM89250;C#CC=CCC(=N)NNC;DFFNIWMXLJKLNO-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89251;MM89251;C=C(C(=N)N)C(C#N)=CF;RDONNEMVXMEEPV-UHFFFAOYSA-N;139.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89252;MM89252;C=CN(C=NO)C=NC=O;BXDSFTHVAJUCJH-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89253;MM89253;COC=NNC(C)=NOC;CAISYQXEDLEFAO-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89254;MM89254;CCOC=NNCC#N;INVCKSIDFKRYPO-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89255;MM89255;C=NN=CN(C=N)C=NO;TWLOHKNHTAJKTD-UHFFFAOYSA-N;141.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89256;MM89256;COCON=C(C)CC#N;DZAYXWLCKLHKHB-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89257;MM89257;C=C(C)N(NCC)C(C)=N;BFPSPZZMRUKGIP-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89258;MM89258;CCC(C)=CNC(=N)CN;AVGBLVCNPQXNSP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89259;MM89259;C=CCON(C)C(=N)NC;JOJAQUSSMWGMPK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89260;MM89260;C=C(N=CNC)C(N)CC;DPTRHVWXAZVHGS-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89261;MM89261;C=C(C)N(NC)C(=N)CC;VTKNWFQJBCIRKN-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89262;MM89262;CNCCC(CF)C(C)N;XQNSBBXNRHZLBP-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89263;MM89263;CNC(C)C(C)C;LJLWVVCWBURGCC-UHFFFAOYSA-N;101.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89264;MM89264;CCC(CC)NC;IFFVNFLXNMUQEL-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89265;MM89265;C#CC(=N)NC(=N)NC;AKPXFTTVJZQAEO-UHFFFAOYSA-N;124.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89266;MM89266;N=C(N)NC(=CF)CF;YFGCMCOFJNBALK-UHFFFAOYSA-N;135.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89267;MM89267;C=CCC(=N)NNCC;LTYNBVYWIPOKAI-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89268;MM89268;C=C(OC=O)C(=N)NC;ARAADFKFVDQYQM-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89269;MM89269;C=CCNC(C#N)=NNC;MPRCSUPZZIJUCS-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02723;MM02723;CC=CN(C=O)N=CC#N;RMNOWMNMSAOQLA-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15905;MM15905;N#CC=NN(C=O)C=CF;LBUDTWSTMGKNMJ-UHFFFAOYSA-N;141.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89270;MM89270;C=CN(C=NO)N=CC#N;OMUDVNXKXSFBCE-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89271;MM89271;N#CC=NN(C=N)C=NO;SQVFBCGITMMBLB-UHFFFAOYSA-N;139.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89272;MM89272;CN=CN(C=O)N=CC#N;GBOXUNVATYBEAA-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89273;MM89273;C#CC=NNC(=NN)OC;HZZJPRYPMWZBAH-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89274;MM89274;CC(NC=N)C(O)C#N;YIWPGRAETIBZOU-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89275;MM89275;CC(C)(N)CC(CN)CF;VNNSZALDMFTOMN-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89276;MM89276;C#CC=CN(C=O)C=NO;UPVLNJFHLSCMTM-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89277;MM89277;CN=CNC(C)(C)CCN;VQVVXLKIRAESRK-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89278;MM89278;C=C(C#CC#N)NC(=N)N;PPQASHLIPMOIRP-UHFFFAOYSA-N;134.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89279;MM89279;C#CC=NN(C=N)C=NO;ACFDVHIYOSFCFK-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89280;MM89280;C=C(CN)CN(C)C=NC;DQINRAJJSOOPLD-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89281;MM89281;COCOC=NNCCF;WXFRAVGIHAQFFR-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89282;MM89282;C#CC=NN(C=O)C=NO;CHHPTNMDIGBTIO-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89283;MM89283;CNN=CON=CCOC;RKANOJUWQAEKJM-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89284;MM89284;CNC(=N)C(=CF)NC=O;CFPYBTVBVRRFRY-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89285;MM89285;CNN=C(C)OC=COC;UBIOEQQOZPKATA-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89286;MM89286;COC=C(C)CC(=N)NN;JOCJVUXYGCNDOK-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89287;MM89287;COC=CC(CCO)=NO;XZRHQJVLOXYTDH-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89288;MM89288;CCCC(C=NN)NC=N;WODOMBCEESNBDL-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89289;MM89289;C#CCC(C)=NOC=NN;DCBRVBDHEIVSLL-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89290;MM89290;COC(=NN)C(C)OC;RMADYRGDZAEVLS-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89291;MM89291;C=CC(C)(O)C(=C)NC=N;QMLMIXNKWOCOHI-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89292;MM89292;NN=COC(C=NN)=CF;DPFTVQBBONDHNR-UHFFFAOYSA-N;146.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89293;MM89293;C=CC(CN)CC(C)NC;LQGAVKQJDZFEBA-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89294;MM89294;CC=NOC(=O)NCCO;HRWZYYBCELBLKD-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89295;MM89295;C=CN(C=N)CC(=C)CF;IXGYCBSGDBWBDC-UHFFFAOYSA-N;142.18;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89296;MM89296;CC(O)C#CC(C#N)=CN;YEAYINFPQAYVLH-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89297;MM89297;C=CN(O)C(=N)NC(C)C;OPHMFNBDXUSMCX-UHFFFAOYSA-N;143.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89298;MM89298;C=CC(F)C(CO)=NNC;OYMHPAOZCUDPDL-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89299;MM89299;C#CC(CF)ON=CCO;XERQOOWGLGGGFX-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89300;MM89300;CON=C(CF)CC(C)O;YENCOIYXEBMVMH-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89301;MM89301;C=CN(CC)C(=N)CO;DCTKYFSZAQWNFH-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89302;MM89302;CC(C)=CNC(=N)CO;CSUBSNYYEUCZHU-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89303;MM89303;C=CCNN(C)C(=N)C=C;PBLFNXKBJAAKJN-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89304;MM89304;CON=COCC=CCO;UUTZMAAGCSHGHD-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89305;MM89305;CCOC(C=NNC)=NO;SUGCVZJHETXRKB-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89306;MM89306;COC=NNC(C)C#N;UWQLEKLLWDRJHM-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89307;MM89307;CNN=CC(F)C#CC=O;RIIMRPPZQLYSIB-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89308;MM89308;COCC(=NO)NC=NO;SBECXQXSMSBKIP-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89309;MM89309;O=CC=CC(CCO)=NO;GMUBQIMMBKVWQQ-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89310;MM89310;C#CC(N)C(=CC)NC=N;KCWKIQGYDLVGJZ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89311;MM89311;C=COC(CNC=N)OC;IPAWQBPNUYZSHA-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89312;MM89312;C=NN=CC(CCO)=NO;MIKZQJJUVRJJQF-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89313;MM89313;COC(=O)OCOC=NN;XDYJZWCQYOVIQR-UHFFFAOYSA-N;148.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89314;MM89314;N#CC(CO)=NN=CNO;AHSRUDRJQFNMMB-UHFFFAOYSA-N;142.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89315;MM89315;C=COC(N)=C(C#N)CO;CZHCNGHKUNTQJQ-UHFFFAOYSA-N;140.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89316;MM89316;C=COC(=CC(=N)N)CO;FHWOZYDOLRDAHA-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89317;MM89317;C#CC=NOCOC(N)=O;VDHXHHTWTHILCV-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89318;MM89318;C=NN(C(=C)CO)C(C)=O;AXVHDTDGNDWWPT-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89319;MM89319;CCOC(C=CC=O)=NO;QEAMJXQQVJFUIS-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89320;MM89320;C#CC(C(=N)N)C(C)C#N;PJKWGORFMGJLQL-UHFFFAOYSA-N;135.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89321;MM89321;CNCC(C)C(CN)CF;HPDQMKNKWIWTPN-UHFFFAOYSA-N;148.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89322;MM89322;C=CC(CN=CN)C(C)=O;DAVVLQGITGAOMB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89323;MM89323;COC=CC(CC=O)=NO;KRBLSQLGRDTTNV-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89324;MM89324;C=NN(C(C)=N)C(N)=O;WYTJPSYGHLEFHY-UHFFFAOYSA-N;128.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89325;MM89325;CC1CN1C=N;UNVODNGUSFUMPY-UHFFFAOYSA-N;84.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89326;MM89326;C#CC(C#C)ON=CCO;WXORWFPFJWJOJU-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89327;MM89327;CON=CC(CC#N)=NO;ZGPXTEXQPHMCFK-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89328;MM89328;C#CCC(=N)NC=C;JPHJILBNCIJWKE-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89329;MM89329;C=CN(N=C)C(N)=O;OUPNOEDTPUQOGF-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89330;MM89330;CCC=CC(=NN)NC=O;GQVZCMNXNSWGFB-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89331;MM89331;COC=NOCC=CCO;YVJGDOBDMMAXLA-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89332;MM89332;CCOCC(=NNC)OC;NHISXTZMFCROHC-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89333;MM89333;CCC=CC(=NO)NC=O;GHHIKBIRJAIUEW-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89334;MM89334;CCNN=COCC#N;YBTGLYANEJFWQH-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89335;MM89335;CC(=NN)OC(C)OC=O;KRANPMZYEZGAHE-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89336;MM89336;C=C(CC)CN(C)NC=O;WWOHEPSEDXDJTM-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89337;MM89337;CC(C)(C)NC(=N)NO;NAQIYJVQSFQXDY-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89338;MM89338;CCOC(=NN)C(C)(C)O;KXLYVMFWBAZJDP-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89339;MM89339;CCOC(=NN)C(C)O;JRXJPPDCILBITE-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89340;MM89340;CC=C(C)C(=N)N(C)N;UWEWPGMTEQNCHW-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89341;MM89341;CC(C)(O)C=NOCC#N;SHLWAFUUNWFIOE-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89342;MM89342;CNC(=N)CN(O)C=NN;DHWZLIHTARYQKA-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89343;MM89343;CN=C(C=NNC)NC=O;QBTNSZJAQMHDNK-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89344;MM89344;CON=C(OC)N(C)O;INQDEAIBCHKYIF-UHFFFAOYSA-N;134.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89345;MM89345;CC=CN(O)C=NOC=O;AYXLRXBOHGZWJA-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89346;MM89346;C=CNC(C=NNC)=NO;NKOZTCADMBCPTO-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89347;MM89347;C=CC(=NN)ON=CCO;HYWKEKGISZDGMB-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89348;MM89348;CNN=CC(=NO)NC=O;ZWMVCSXMWQNBKN-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89349;MM89349;CCON(C)C(=N)NC;VWYNVYHKIYYVCX-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89350;MM89350;CN=C(C=NOC)NC=O;VLZRVQUUWMMZRT-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89351;MM89351;NC(C=O)=NN=CNO;SGCXXSRHGLRYTP-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89352;MM89352;CC(NC=CC#N)C(N)=O;WSTVLSFQVJAEPK-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89353;MM89353;C=NOC(=O)C(C)=O;DUVWLEZUMNTVLF-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89354;MM89354;CNC(=NNC=N)N(C)C;NLJHYUNGZUYYCQ-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89355;MM89355;C=COC=NNCC=O;MATLCFSDEGSXPB-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89356;MM89356;C=NNC(C=NNC)=NO;BZCCMBDVMIJTOK-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89357;MM89357;CNN=COC(C)C#N;JRTKOGSCMAVEQD-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89358;MM89358;C=NN=C(C=NOC)NO;LJHNEVSYHBMWQM-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89359;MM89359;C=COC(C=CCO)=NO;RJXUNOPLNCZKGL-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89360;MM89360;CCNNC(=NN)N(C)C;KRTHVCIZTAPWEG-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89361;MM89361;CNN=C(CCC#N)OC;RMIZYDWSUVLAPO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89362;MM89362;CCNC(=N)N(C)OC;GPUQLNRNDCULCY-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89363;MM89363;C=C(C)N(NC)C(C)=N;UXQGBWHOBDVLLW-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89364;MM89364;CCN(OC)C(=N)NC;GFJAIOXDMIGHKN-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89365;MM89365;C=CC(CN)CC(C)(C)N;ZPBIUQNUIUVXDL-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89366;MM89366;C#CC(=NN)ON=CC;CJXMNINKLKQONS-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89367;MM89367;COCC(=NN)OC;CHXBFTUULHNOCT-UHFFFAOYSA-N;118.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89368;MM89368;CCNN=C(NN)N(C)C;KRTHVCIZTAPWEG-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89369;MM89369;C=NOC(C=NOC)=NO;ZEULHPQNGGYMDX-UHFFFAOYSA-N;145.12;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89370;MM89370;O=CC=CC(CC=O)=NO;FWKTYYBYMDWSEM-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89371;MM89371;C=COCC(=NN)OC;UPVUSPRXFBPPTI-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89372;MM89372;C=CC(CCN)C(C)(C)N;BGXKYZUOBQGMHW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89373;MM89373;C=CC=CC(=NN)NC=O;QNWSRIGOZAXKDX-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89374;MM89374;C=CNC(C=CC#N)=NO;WEJUZKYWEVUQGQ-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89375;MM89375;O=CC=CC(=NO)NC=O;VMDGZJBKPYYSAG-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89376;MM89376;C=NNC(C=CC#N)=NO;QFWFHRGRDVLORC-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89377;MM89377;CCCON=COC=NN;SFFSSGAMMIRDHW-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89378;MM89378;C=NN=CC(=CN)NC=O;ZGCRBLDSRHUUPA-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89379;MM89379;C=NN=CC(=NC)NC=O;KRQQGXAMLKPBLB-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89380;MM89380;CC=NOC(=O)C=NN;IYQBVEQIMCXDGL-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89381;MM89381;CC(C)NC(=O)NN(C)C;BAZQLHSXDCVEJJ-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89382;MM89382;C=NN=CC(=NN)NC=O;OQYWCUMUSOYITM-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89383;MM89383;C=CNC(C=NN=C)=NO;UBJUAGKFAGRBOV-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89384;MM89384;CCCN=CN(N)C(=N)N;DXDDQSQCXSJSHE-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89385;MM89385;C=NN=CC(=NO)NC=O;QLSTZKFCYGQSIY-UHFFFAOYSA-N;142.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15457;MM15457;C=NN=CC(=NO)NN=C;ZEKISYSOYNIUME-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89386;MM89386;C=NOC(C=CC=O)=NO;DDLJYTFFWNMYQG-UHFFFAOYSA-N;142.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89387;MM89387;C=NN=CC(=NO)ON=C;FCXWDNGUIRVOBH-UHFFFAOYSA-N;142.12;0.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89388;MM89388;CNNC(=N)CC=C(C)C;ASKIYKJKZHHVFS-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89389;MM89389;C#CC=CC(=NC)NC=O;BUJJHENNQOGILF-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89390;MM89390;CN=C(NOC)N(C)C;WCOSCZKHTVCJSV-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89391;MM89391;C#CC=CC(=NO)NC=O;MQABTTHOPRVSIS-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89392;MM89392;C#CC=CC(=NO)NN=C;SRCAXYYEIQCCFB-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89393;MM89393;C=CCC=NOC(=O)CO;WEYYSQSBBQSLRE-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89394;MM89394;CCCOC(CO)=NNC;VYBTYUZZLWXVJQ-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89395;MM89395;CC#CCNC(=N)NC=N;HOMTVJMBIRTRKU-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89396;MM89396;CNNC(=N)CC=CCF;QASCVCJDYSPWNH-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89397;MM89397;C#CC(=CN)C(=N)NCC;FXYXTMANOAHCRR-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89398;MM89398;CNN=CC=C(C)NC=N;NMEQCNWXJQMDJQ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89399;MM89399;NN=CC(C=CCO)=NO;XOFDKVPDZIOULP-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89400;MM89400;C=C(C=NOC(N)=O)CO;PIRYOGRVJYKYGV-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89401;MM89401;C#CC(CO)=NOCCC;UHBYOOQAQPKQOJ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89402;MM89402;COC=CC(C=NO)=NN;IPCDVNVLPOADDB-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89403;MM89403;COC=CC(C=NN)=NO;XNEYXTVSKOQJSZ-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89404;MM89404;C=C(NC=N)C(F)COC;UWDBVFYRLPZEPG-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89405;MM89405;CC=CN(C)C(=N)C(=N)N;MIKSKKROIBISFG-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89406;MM89406;C=CC(C#N)ON=CCO;LEWVJYNGOWBPON-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89407;MM89407;C=NN=CN(C)O;HOWIZFYGJVWXGQ-UHFFFAOYSA-N;101.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89408;MM89408;CCON=C(CF)CCO;XNJPPXRSUWYICS-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89409;MM89409;CN=NC=C(C=NO)NO;RKXMPXISRIDNEA-UHFFFAOYSA-N;144.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89410;MM89410;COC=NNC=CC(C)=O;SKPPWUDSLIQKNS-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89411;MM89411;CON=CC(C=NO)=NN;GPAHQJAWXCGHRJ-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89412;MM89412;CON=CC(C=NN)=NO;CGERILJERORPOU-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89413;MM89413;O=CC=CC(C=NO)=NO;BWYHIZLSJBUPLM-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89414;MM89414;N#CC=CC(C=NO)=NO;MCZMRHIPDOMYCY-UHFFFAOYSA-N;139.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89415;MM89415;CCN=CC=CNNC=O;JUQZRTDVWHSLEI-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89416;MM89416;COC=NNC=C(C)C=O;XKFAPCJUHNPIDX-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89417;MM89417;C#CCC(CCN)CNC;LDEBRRCAVRBMNZ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89418;MM89418;CC#CC(C=NNC)=NO;SLDGNAKNPOJNAN-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89419;MM89419;C#CC(=NN)OCC=C;GSEXSXOGIQASMC-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89420;MM89420;CC=NOC(=O)CO;ZGRWNWJVQAYYKE-UHFFFAOYSA-N;117.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89421;MM89421;COC(C#N)=C(N)NC=O;DGXPGSNOCXTKCV-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89422;MM89422;CCCNN=C(CO)OC;PXHSHPZJWVZXFQ-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89423;MM89423;CC=NOC(N)=O;HCUKYIRGHQRKMX-UHFFFAOYSA-N;102.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89424;MM89424;COC(C#CCF)CCO;KQWUKBDLZHTHGF-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89425;MM89425;N=C(C=CC=O)NCCF;DOYJTKYRBKJINW-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89426;MM89426;CNC(=N)C#CCCCN;UHADKEFTQPKEOU-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89427;MM89427;CCOC(C#CCF)CO;QQLZYXMDFLXGMQ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89428;MM89428;C=CNC(=NC)N(N)C=N;MSJJGJWXSSZETQ-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89429;MM89429;CCOC(C#CCO)OC;NRVAQGMVDPJGAN-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89430;MM89430;CCCCN(NC)C(C)=N;JQIFBRWUKGZSEP-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89431;MM89431;C=CC#CC(CO)CCO;RTKHESCIQRWELV-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89432;MM89432;N#CC#CC(CO)CCF;JDGRFAPMFBZJDS-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89433;MM89433;N#CC#CC(CF)CCO;OTPDSHTZHQQJQE-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89434;MM89434;COCC(C#CC=O)CO;OYABJEDDILZYLM-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89435;MM89435;COCC(C#CC#N)CO;VKDRMEQYPQWRRP-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89436;MM89436;CNN(CCC#N)C(=N)N;UMUIWBLJKNGEGJ-UHFFFAOYSA-N;141.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89437;MM89437;COC(CNC=N)=C(C)F;QCTVMQWWWGFCON-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89438;MM89438;C=CN(C=N)C(N)=CC#N;DIKMWZAXRBBICJ-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89439;MM89439;CN=CNC=CCC=NN;JRZISLXPIWYKJB-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89440;MM89440;CC(C)(N)CCCN;WHLFXPIYRPOHGB-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89441;MM89441;CNCCCC(C)N;STCRXVFGEODGCN-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89442;MM89442;COC(C#CC#N)CCO;QGAYEKMLENZXLJ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89443;MM89443;CNCC(C)CCN;SUVNSQXJGDMNRW-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89444;MM89444;CC=CC(=N)N(C)N;VJCQSCPHFZQMOP-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89445;MM89445;COCC(C#CC=O)OC;VSOYNKCHBMDCRL-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89446;MM89446;COCC(C#CC#N)OC;BDPXXHNIJQDLJL-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89447;MM89447;CC(C)(O)C(C#N)=C(N)N;BPNVJUYMZQWPGI-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89448;MM89448;C#CC(C)(O)C(C)NC=N;NSEMDRVLWIRCNB-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89449;MM89449;CC(CN)CC(C)(C)N;AZAKXNIIJHGYLY-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89450;MM89450;CC=CN=C(C#N)NO;OZPGJSWPJFTRIL-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89451;MM89451;CN=C(N)C(C)(C)C=O;IJWLJNNERYYIKR-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89452;MM89452;C#CC(O)C(CC)NC=N;JPOOWAHJJPXVHG-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89453;MM89453;CNCCCCC(C)N;WAEBPJQJWCRUJJ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89454;MM89454;CN=CNCC=CC=O;OBAZBHKSWKAXDU-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89455;MM89455;C=C(C)NC(=N)C(C)(C)N;RJABXGVXTARXNK-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89456;MM89456;CCON=COCCO;HMZFLIGDOCTISO-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89457;MM89457;C=CCC(C#CCO)CO;RPXWMLLNOQXYDO-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89458;MM89458;C=COC(=CC(=N)N)NC;NUVWSSXFPNXIDG-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89459;MM89459;COC(C#CCO)CC=O;MJNPRMCKIXGBPP-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89460;MM89460;COC(C#CCF)CC#N;DBPAGNAPISZMPX-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89461;MM89461;CCC#CC(CO)NC=O;IOCWJGPVSXQQJV-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89462;MM89462;C#CC(=O)ON=CN(C)O;DFJQFPZBIQWXFG-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89463;MM89463;COC=NN=CNO;SKPMMHMTHGKIIK-UHFFFAOYSA-N;117.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89464;MM89464;C=C(C)N(O)C(=N)NCC;BPNATHCIGBBDTQ-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89465;MM89465;CCOC=NN=CNO;AUFQIYGSBLVWTL-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89466;MM89466;CCCOC=NN=CNO;HBQAXARXIOCAFN-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89467;MM89467;C=COC(C#CCO)OC;CDKMKCGKPSRFRV-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89468;MM89468;C=CC#CC(CO)CC#N;BAEIBQUNGWXWAS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89469;MM89469;N#CCC(C#CC=O)CO;OKSMEGZIUPIZKG-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89470;MM89470;N#CC#CC(CO)CC=O;UEJUISFETVWCHE-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89471;MM89471;N#CC#CC(CO)CC#N;IFJBUERTHVFLNQ-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89472;MM89472;CNCC(CCN)CCF;JPRIAPFPIAJZDB-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89473;MM89473;CN=CNCC=C(C)C=O;BONJAGOUPWJECU-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89474;MM89474;C=C(C)NC(C#N)=NNC;SBWSFMFGGVXFSJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89475;MM89475;COC(C#CC#N)CC#N;OVXNFQLQYNRFHB-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89476;MM89476;CCOC(COC)=NNC;PUUDICSXXZGTEP-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15349;MM15349;C=CC#CC(CO)OC=C;XZNVXKLRFFDQQL-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89477;MM89477;C=COC(C#CC#N)CO;KWRUCEHENPHUTD-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89478;MM89478;C=CC#CC(CO)OC=O;JSYUPNNLSQPPQY-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89479;MM89479;O=CC#CC(CO)OC=O;UVWMCNUUOXXPPS-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89480;MM89480;O=CC#CC(CF)OC=O;GLFAAAGYZZXMSV-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15854;MM15854;C=COC(C#CC=O)OC;DAJGNBGRYZTKNW-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89481;MM89481;COC(C#CC=O)OC=O;UAINDYIQOGIUFO-UHFFFAOYSA-N;142.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89482;MM89482;C=C(CC)N(O)C(=N)NC;GAAJJAHZXVZNJT-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89483;MM89483;C#CC#CC(CO)CC#N;NNXWJXAGADFBGE-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89484;MM89484;C=CC(CCN)C(C)NC;HAJBAIYFASJNGQ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89485;MM89485;C=C(F)CC(=NNC)OC;FKACSABZQWTTJZ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89486;MM89486;CCCN(OC)C(=N)NC;VBSDZZMGNBYBFL-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89487;MM89487;CCOC(CO)C(=N)N;IFKWFXHAAJWGOD-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89488;MM89488;CCN(C=NC)CCNC;FNASLEWBRGIIJP-UHFFFAOYSA-N;143.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89489;MM89489;CC=COC(C=NN)=NN;MFEZYBOSFJUJKO-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89490;MM89490;CNC(=O)ON=CN(C)O;VARJDMHWXHSNSB-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89491;MM89491;C=CC(CCNC)C(C)N;NPUOBGZBNPQSJR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89492;MM89492;C=CC(C#CCO)CCO;FKZAVTUIXBVEFQ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89493;MM89493;N#CC(C#CCF)CCO;LFXVUGJZWVSROR-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89494;MM89494;CCOC(=NOC)N(C)O;MHKMESVLHSXRJD-UHFFFAOYSA-N;148.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89495;MM89495;C=NN(CC=CF)C(N)=O;YTAVWDKVDRGEDG-UHFFFAOYSA-N;145.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89496;MM89496;COCC(C#N)C#CCO;IVRBRRMKAKPPNT-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89497;MM89497;CC(=NN(C)C=O)N(C)O;MBJIALDKCGZNGS-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89498;MM89498;CCOC(C#N)C#CCO;UKSCNVXVICDWCZ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
4-propylpent-2-ynedinitrile;MM02012;CCCC(C#N)C#CC#N;OZFXGEOKGBENLT-UHFFFAOYSA-N;132.17;1.45;140250072;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89499;MM89499;N#CC(C#CC=O)CCO;YWBBYESZPWEABV-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89500;MM89500;N#CC#CC(C=O)CCO;YPDVFWPIKJPPQJ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89501;MM89501;CCC(C)(C)NC(=N)NO;QVUZAYHBOPACKU-UHFFFAOYSA-N;145.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89502;MM89502;CCC=C(CO)NC=N;LEBIAVCQHNLBIU-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02680;MM02680;COCC(C#N)C#CC=O;ALCVEGOEDCSNOM-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89503;MM89503;CCOC=NOCCO;QIBZJASJIHQLTJ-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89504;MM89504;CC=COC=NN=CNO;YIKUPKIOBFJBIH-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89505;MM89505;C#CC#CC(C=C)CCF;ZRFJROMCMJTDGT-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89506;MM89506;C=CC(C#CCO)CC#N;GKABRRRHKUNHBR-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89507;MM89507;N#CCC(C#N)C#CCO;YNGFFAVSAJLLPD-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89508;MM89508;C=CCCNCCCCN;LWWUPDRWCVMJPB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89509;MM89509;CCC#CC(C#N)NC=O;RPCHVSGBMLDEJX-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89510;MM89510;C#CC=NOC(C=O)OC;HXWUCBAQTSGMBQ-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89511;MM89511;CNCC(C)CCCN;FNSLYRFJGCJPOB-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89512;MM89512;C=CC(C#CCO)OC=O;DXNSSKALCXZONG-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89513;MM89513;N#CC(C#CCO)OC=O;QORDBPVZHXUYNQ-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15500;MM15500;C=CC#CC(C#N)CC#N;FTWHBIQNWOWZMT-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15688;MM15688;N#CC#CC(C=O)CC#N;LMCLWEPQINTZCJ-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15997;MM15997;N#CCC(C#N)C#CC=O;SHJFEPSGZBTQRZ-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89514;MM89514;CNCCC(C)C(C)N;FCUWLYXXPPHEMM-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89515;MM89515;C=CC(C#CC=O)NC=O;IPNVATUKYBHVFA-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89516;MM89516;CC(=O)OC=COC=NN;NKNKHKLOQFNOKG-UHFFFAOYSA-N;144.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89517;MM89517;COC(=NN)C(C)(C)O;ZZMYYLGFNSXXCX-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89518;MM89518;C=CC#CC(C=O)NC=O;XUNNBEJLWWXUNA-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89519;MM89519;C=CC#CC(C#N)NC=O;SLJIVASFCUCNFH-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89520;MM89520;N#CC(C#CC=O)NC=O;UQQGRJAGPFWRHH-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89521;MM89521;N#CC#CC(C#N)NC=O;WQPUCCFCCCCZJK-UHFFFAOYSA-N;133.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02533;MM02533;C=COC(C#N)C#CC=O;GYQOMNYOEJLPIF-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15742;MM15742;N#CC#CC(C=O)OC=O;XEEDSKFHYNKBMZ-UHFFFAOYSA-N;137.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16011;MM16011;N#CC#CC(C#N)OC=O;KOLSKJRLJFAVCV-UHFFFAOYSA-N;134.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02788;MM02788;C=NOC(C#N)C#CC#N;SHTFSCPJYKWGTO-UHFFFAOYSA-N;133.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89522;MM89522;C#CC(=O)N(N)C(=O)NC;TURYVWVAJSCXFA-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89523;MM89523;CC=C(CO)N(C)C=N;KUIYDPVJJURNIZ-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89524;MM89524;C#CC#CC(C=O)NC=O;HEWIHAQEELJJLB-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89525;MM89525;C#CC(=O)N(N)C(N)=O;KUGPFFAMGSVIGJ-UHFFFAOYSA-N;127.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89526;MM89526;OCC=NOCC#CCF;MTJJBSNVZWIBQH-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89527;MM89527;C#CC(C#CCO)CCO;MECZOVCEAGGZKN-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89528;MM89528;C=CC(=NN)OC(N)=O;MMVGAMLVKDDUOA-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89529;MM89529;C#CC(C#CC=O)CCO;AFAKISGGQVAPQR-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89530;MM89530;CNCC(C)C(C)CN;AQXWLLRMGOEHAI-UHFFFAOYSA-N;130.24;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89531;MM89531;C=CC(=N)N(C)NCC;QBDWZJYTIMOQDQ-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89532;MM89532;C=CC(CNC)CC(C)N;XDBHBCSJESIAHV-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89533;MM89533;C#CC(C#CCO)CC=O;ZIUYLHPYIJIISF-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89534;MM89534;C=C(NC=N)C(F)CC#N;FMRKKBPQCKLHRP-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89535;MM89535;CC(=N)N(N)CCC=CF;XSDCWJMRSSCDCP-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89536;MM89536;C#CC(C#CCO)OC=O;FEZZVEGWTFWQHE-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89537;MM89537;CN(C)C(=N)NC=CC#N;GOAAPBPGXIXVKM-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89538;MM89538;C=C(NC=N)C(F)C(C)N;BYNCKDCLOFAFSQ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89539;MM89539;C#CC(C#CC=O)NC=O;LMUXPCWWOLJPLO-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89540;MM89540;C=COC(N)=C(C)C(=N)N;YPOMQJUWRRLOOQ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89541;MM89541;OCC#CC(C=CF)CO;GTVYBNYNOMGIFO-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89542;MM89542;CC(C)=NOC(=O)CCO;DFDATHMLUGNXDP-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89543;MM89543;C=NN(C=O)C=CCC=O;KNOZQPCBALINDT-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89544;MM89544;CCOC(COC)C(=N)N;FNXGHPLXENTUDL-UHFFFAOYSA-N;146.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89545;MM89545;C#CC=NNC(=N)C(C)=O;YRQAVTXHLBSFDA-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89546;MM89546;CC=C(C)CNC(=N)CN;VUGYIMIVCQARCE-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89547;MM89547;COC(C#CC=O)C=NO;VHXWFIFSMGBKAX-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89548;MM89548;C=CCNC(=N)COCC;JSYSLOQCDVGWJT-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89549;MM89549;N#CC(C#CC=O)C=NO;SXTONCQVHMQGBE-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89550;MM89550;N#CC#CC(C=O)C=NO;CBMZOBVJYVIPBF-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89551;MM89551;N#CC#CC(C#N)C=NO;ZFVHMPCHGLUPER-UHFFFAOYSA-N;133.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89552;MM89552;C#CC(C#CC=O)C=NO;ICIMYNBRRJQGAT-UHFFFAOYSA-N;135.12;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89553;MM89553;C=CCNC(=N)C(N)CC;DIMAWVOWBLUFKB-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89554;MM89554;N#CCC=NNC(=N)C=O;SQZWCTYCQHHPRU-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89555;MM89555;C#CC(C#CC)C#CC#N;AOSDUVHYSQDMLX-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89556;MM89556;CC=CN(OC)C(=N)NC;INZWPTXPECWLBN-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89557;MM89557;C#CC(=NNCC=C)OC;ZKMSUNKRDFZZPN-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89558;MM89558;COC=C(CNC=N)OC;FNYHJPVWROUVMA-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89559;MM89559;C#CC(=NNC)OCC;KFZROHCDFFZHJY-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89560;MM89560;CN=C(NCC#N)C(=N)N;RNTUBHFLVIQSIB-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89561;MM89561;CN(C=O)N=CNCC#N;AAMQRESKUUQJBX-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89562;MM89562;CNC(=N)CN(O)C=N;MVBDBWWPEGQPRV-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89563;MM89563;N#CC=C(CO)C(=N)N;OQAYTSGVTCUDTJ-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89564;MM89564;C#CC(=NNCC)OC;ONDHDJGYKLPIBD-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89565;MM89565;CON=CNC(C#N)=CF;RBNOINYNHCEQKO-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89566;MM89566;C#CC(=O)OCC=NOC;IAAVRLNJDXBODT-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89567;MM89567;CC(F)C(=CNC=N)CF;JZAJFCADWBFMIA-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89568;MM89568;C=NOC(C#N)C#N;VDKYTNUCFYVANH-UHFFFAOYSA-N;109.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89569;MM89569;C=CCOC(=NN)C(C)O;FDSOEGZRSNVURM-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89570;MM89570;N#CC#CC(=CF)CCO;KQBQDXCHWOCQQR-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89571;MM89571;N#CC=C(N)NC(=N)N;HKTUHNAJZPKSMN-UHFFFAOYSA-N;125.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89572;MM89572;CN(C)C=NCCO;XZOOTVRHELUDPK-UHFFFAOYSA-N;116.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89573;MM89573;C=CC#CC(CCO)=NO;RGNRMTCDSRIBCU-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89574;MM89574;C#CC(=C)NC(=N)C=C;WBNOVKBNMSGPPZ-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89575;MM89575;C=CCCN(N)C(C)=N;CEISHIFFNOCNOG-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89576;MM89576;COCC(C#CC=O)=NO;VCIKCZMDGRHXGV-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89577;MM89577;CN=C(NC=N)NCCO;LFCIHDVLKSXYHN-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89578;MM89578;CNN=C(CO)OC(C)C;YPCAMFYVDMNWIS-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89579;MM89579;CCNN=C(CO)OCC;OGZWALCOYSJKLM-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89580;MM89580;C#CC(CO)=NOC(C)C;JJSCNDJAVJNOGN-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89581;MM89581;CNNC(=N)C=CC(C)C;QZSSQYYBFDZYMJ-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89582;MM89582;CCNC(=N)C=C(N)OC;UTKVGKNPFBEIEC-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89583;MM89583;C=CN(N)C(=NC=N)NC;NHWGOPQWOIWGSU-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89584;MM89584;C=CC(CO)ON=COC;WLPMWIDPYARSQS-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89585;MM89585;C=CN(O)C=NN=C;CXMGJJQNZNTOBI-UHFFFAOYSA-N;113.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89586;MM89586;C#CC#CC(CCO)=NO;XQKQZGVJTYCYFG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89587;MM89587;CNC(=N)N(C)OC(C)C;OPNCIJMBUWFEKK-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89588;MM89588;C#CCN(O)C=NOC;UZSZWQXNWHFVGH-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89589;MM89589;CC=NN=CN(C)O;WECGVTNJIWJUGJ-UHFFFAOYSA-N;115.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89590;MM89590;C=CCC(C#CCO)=NO;OJMNHTLETUNUPA-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89591;MM89591;N#CCC(C#CCF)=NO;ABQAJZMFEGLCPC-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89592;MM89592;C#CC(=COC)NC(=N)N;FKHXTDVGLYMKKC-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89593;MM89593;O=CNC(C#CCO)=CF;JRTPJFBBUIKURE-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89594;MM89594;O=CNC(C#CCF)=CF;OKPMMOZEAKEYIS-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89595;MM89595;CCC=NN=CN(C)O;BULNFHSLSDPGNQ-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89596;MM89596;CCC#CC(=NC)NC=O;TWLBKEZBSCHNDM-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89597;MM89597;CN=C(C#CCF)NC=O;HNQMTVOSVKIOPU-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89598;MM89598;N#CC(F)C=NNCCO;BRHYQWKJCXEXSJ-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89599;MM89599;C=C(C(=N)N)C(C)=NOC;NMNAJQFEFGNSEV-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89600;MM89600;C=C(F)C(CCO)=NN;WOILCXNDCDUWMP-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89601;MM89601;CCC#CC(=NN)NC=O;VDQDRIPRNMHIQO-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15276;MM15276;C=CNC(C#CCC)=NO;FTQMWLWCGTWVGN-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89602;MM89602;CCC#CC(=NO)NC=O;TXHOSCKSJLDCFL-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89603;MM89603;CN=C(N)C(C)C=O;WGZSAHXSCIFYPX-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89604;MM89604;N#CC(=N)NN=CCC=O;PNCMOQXMHUGXIF-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89605;MM89605;CNC(=NC(C)=N)N(C)N;KWEZZAPSIXLQAE-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89606;MM89606;C=NN=C(C#CCO)NO;SARRFQGUKYWWND-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89607;MM89607;C=CC=C(CNC)NC=N;PHNDCQVNBGMLTJ-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89608;MM89608;C=COC(C#CCO)=NN;YSNYZPPZLRDCOZ-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89609;MM89609;CON=CC(C)(F)C(C)=O;VWQPGUBBIZMFTB-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89610;MM89610;CNN=C(CC#N)C(C)F;FGWYQOXZGJQGCX-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89611;MM89611;C#CC(=O)CNN=COC;SUSLJJCUXLSBNY-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89612;MM89612;N#CC#CC(=CF)CC#N;LHRUERPZYOHYBT-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89613;MM89613;N#CCC(C#CC=O)=NO;TWFXJNBBSDXADY-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89614;MM89614;N#CC#CC(CC=O)=NO;IXCKNAUVOVHFKE-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89615;MM89615;N#CC#CC(CC#N)=NO;NLXSZVWRYUZUAL-UHFFFAOYSA-N;133.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89616;MM89616;O=CC#CC(=CF)NC=O;XEWYAEUBEODMDA-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89617;MM89617;C=COC(=CC=O)C(=N)N;SQHZHOBBBDVHDY-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89618;MM89618;CNN=COC=CCF;JGDHQBNRHSSJEE-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89619;MM89619;CN=C(C#CC=O)NC=O;KDPLSSWWXCUUDZ-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89620;MM89620;CN=C(C#CC#N)NC=O;SHEYVYUCSZUQQU-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89621;MM89621;COC(C)C=NOC=NN;SGZGGPMRMLLWEG-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89622;MM89622;C=CC#CC(=NN)NC=O;KIHKZTRRCLLHOW-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89623;MM89623;C=CC#CC(=NO)NC=C;OTDSWGXOFDBHPO-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89624;MM89624;C=CNC(C#CC=O)=NO;HGHYLOUKQBNCQO-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89625;MM89625;C=CNC(C#CC#N)=NO;GQORCKPBVMCADT-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89626;MM89626;NN=COC=CCF;DTMGJBNSAVCHMZ-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89627;MM89627;O=CC#CC(=NO)NC=O;DSNAYOISZSJCLJ-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89628;MM89628;C=NNC(C#CC=O)=NO;JLPWIKHRMVCBRN-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89629;MM89629;C=NNC(C#CC#N)=NO;IQYUZWLYUWXZAO-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89630;MM89630;O=CC#CC(=NO)OC=O;FUEQSQUJZUOQDY-UHFFFAOYSA-N;141.08;-0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89631;MM89631;N#CC#CC(=NO)OC=O;PZLOROUKUNHHAP-UHFFFAOYSA-N;138.08;-0.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89632;MM89632;C=NOC(C#CC=O)=NO;RWKAEAADUYPZSF-UHFFFAOYSA-N;140.1;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89633;MM89633;C=CC=C(C=NN)C(=N)N;OHGFLAMKKCNQPR-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89634;MM89634;C#CC#CC(=NC)NC=O;WYWQJCKSSQIUIV-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89635;MM89635;C=CCNC(=N)CNCC;JYIOSTHMQWZNOD-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89636;MM89636;CNC(=O)C#CC=NOC;SGRGHGYMSFSLFN-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89637;MM89637;C#CC#CC(=NN)NC=O;UIWUYGUPNFPWSI-UHFFFAOYSA-N;135.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89638;MM89638;C#CC#CC(=NO)NC=C;PZXOPJAQWSBSEK-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89639;MM89639;C=CNC(=NN)NC=C;GIUPKSPCIFHMFB-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89640;MM89640;C#CC#CC(=NO)NC=O;YPBWXLQQBJANGB-UHFFFAOYSA-N;136.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89641;MM89641;C#CC#CC(=NO)NN=C;JMGPGTJZWTXDRD-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89642;MM89642;C#CCC(C#CCO)=NO;MIXLCPWJPMNANI-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89643;MM89643;C#CCC(C#CC#N)=NO;YQNCGRFMGYZBSI-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15342;MM15342;CC=CC(C#CCO)=CF;LOCBUPZYEZJSON-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89644;MM89644;CC=C(C#CCO)C=NO;CBTIISIQSXFVKY-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89645;MM89645;CCN(N)C(=N)CCCF;BTEMQPRRPVTFIG-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89646;MM89646;NC=C(C#CCF)C=NO;CHTYVABGFQELRG-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89647;MM89647;C=CCNC(=N)C(C)OC;BANOGYMYCDZANS-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89648;MM89648;O=CON=C(CO)NO;JLBNYGZUBFCPRU-UHFFFAOYSA-N;134.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89649;MM89649;C=CCNC(=NN)NC=C;WBEPPHNSZNFCGG-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89650;MM89650;CN=C(NN)NN(C)C=N;NFBXUAKPRIHUQF-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89651;MM89651;NN=CC(C#CCF)=NO;AGQNCVOKPBUXMR-UHFFFAOYSA-N;143.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89652;MM89652;NC=C(C#CC=O)C=NO;QUBBBYNQWYFJCH-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89653;MM89653;N#CC#CC(C=NO)=CN;HFKKOHJAOGLKRV-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89654;MM89654;CC=CC(C#CC#N)=NO;RAKXPHSCOUTFRZ-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89655;MM89655;CC(C)N=C(C=O)N(C)O;VGNCKAITSNYNNC-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89656;MM89656;C=CC#CC(C=NO)=NN;WRWYBIHEFUAALC-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89657;MM89657;C=CC#CC(C=NN)=NO;UCVVIRWIMUKSIB-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89658;MM89658;N#CC#CC(C=NO)=NO;DYBLSPANTVTHJH-UHFFFAOYSA-N;137.1;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89659;MM89659;C=CC(=N)N(C)C=COC;GYIQKOXRHRQLTB-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89660;MM89660;C#CC#CC(C=CN)=NO;PQDLJQPPCIQMQK-UHFFFAOYSA-N;134.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89661;MM89661;COC(C)=NN=CNO;CXDVUISEEABHLM-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89662;MM89662;C#CC#CC(C=NN)=NO;MHAGGIWNUUFMBT-UHFFFAOYSA-N;135.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89663;MM89663;CCCONC(=N)NC;RKCHWAPCUACUHW-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89664;MM89664;C=C(CC)CNC(=N)CO;CZGRGCQMAKENGY-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89665;MM89665;CC#CC(C#CCO)=NO;YJGSXWZEWJNYLP-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89666;MM89666;C=CCC(C)(CO)NC=N;QGDLOOZCNBSMAK-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89667;MM89667;CCOC(C)=NN=CNO;CHMVCOIRIPODEY-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89668;MM89668;CCCN(C=N)CC=NN;MEUMVMMALKGVKA-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89669;MM89669;COC=C(CO)CCCO;MHFVAJJEJFTFMM-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89670;MM89670;COC(=CCO)CCCO;SVRYLTXNCOUIPN-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89671;MM89671;CNC(=N)N(OC)C(C)C;ZKJSSGPFWXPTKH-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89672;MM89672;COCCC(=CCO)OC;JJVHZAIQBDRJHV-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89673;MM89673;CN=C(N(C)N)N(C)C=N;MJZFLXGGIWEMQG-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89674;MM89674;CCOCC(=COC)CO;FJVFGWFUJMIXJO-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89675;MM89675;CCOCC(=CCO)OC;GKGYURWMJYDECW-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89676;MM89676;C#CCNC(=NC)C(=N)N;VVNXBUMTQJIPIE-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89677;MM89677;CN=CNC=CCC(C)O;PQDZBMOEQXHMJP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89678;MM89678;CN=C(COCOC)NC;QXDTZUARCYHUOW-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89679;MM89679;C=CC(CN)C(C)CNC;FIDJIAYVFREWLN-UHFFFAOYSA-N;142.25;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89680;MM89680;COC(C#N)C(C)NC=N;MAGBHDBAQJHSDY-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89681;MM89681;C=COC(N)=CC(=N)N;SDVUILINLINNTO-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89682;MM89682;CC(C)(C=O)CN=CN;QBUIXLFACBZDPN-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89683;MM89683;CCC(=NN=CNO)OC;LOLBDLRHZDASDD-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89684;MM89684;CC(F)=CCC(=N)NN;UECSBUPHIBHBIW-UHFFFAOYSA-N;131.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89685;MM89685;C=CNC(=CNO)N=NC;INNLXKFJGGZLPV-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89686;MM89686;CON=CC(C)NC=N;IRIJKZOKZDCCIA-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89687;MM89687;C=COC=NN(C)CC=O;GHGIWYQTEDDLBN-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89688;MM89688;C=CN(C=N)C(=C)CCO;WQAUVEQZDWWXNP-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89689;MM89689;C#CC=NNC(C=O)=NC;LCGOGUPXOADUHT-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89690;MM89690;N#CC=C(N)C=C(F)CO;XNHVIGOQNINZDY-UHFFFAOYSA-N;142.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89691;MM89691;C#CC#CC(=C)C(=N)N;CWUQXBKHDUSNSI-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89692;MM89692;CN=C(N)CC=O;XSVIBOUXMLHSSG-UHFFFAOYSA-N;100.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89693;MM89693;C=CNC(=NN)NC(=C)C;GHHWBNSUUQFWLO-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89694;MM89694;C#CC(=COC=NN)CO;MDZAPSYMKSRJSG-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89695;MM89695;CCONC(=NC)N(C)C;CRLUYQYUFKGXFN-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89696;MM89696;CC=NN(C(C)=N)C(N)=O;NLBPPRKGNYTUMO-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89697;MM89697;CCC#CC(=CN)C(=N)N;QUIDHFMOTAOPTL-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89698;MM89698;C#CC(C=CNC=N)=NN;NCTNTXSFADDMPM-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89699;MM89699;C=C(OC=NN)C(N)=O;KKINVNILOKISCY-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89700;MM89700;C=COC(C)=NN=CNO;VQZUWEVZWXGSFN-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89701;MM89701;CN(C=O)N(C)CCC=O;UNBMLBPAPVOLOV-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89702;MM89702;C=COC(C=C)C(=N)N;LAVGYTPHBHSWBB-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89703;MM89703;CNN(C=O)C(C#N)=CN;HUQMFTIHNCDCDY-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89704;MM89704;CNN=C(COC)OC;KMJVYEDDNVSMRD-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89705;MM89705;CCON=C(C)OC=NN;LHBWMXWPOYESSV-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89706;MM89706;CC(=NO)C(C)C(=N)NN;KFGBTVKPTFWFLS-UHFFFAOYSA-N;144.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89707;MM89707;C#CCNC(=N)C(=O)C#N;RLLQUDUFWHXJOE-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89708;MM89708;N=CNC=C(CF)CF;IZVAIIGKMVBCLV-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89709;MM89709;C=C(C)OC(N)=CC(=N)N;RIYBRADIDAMGKB-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89710;MM89710;COCC(C)(OC)C(=N)N;HIMMEEZGSAYNSW-UHFFFAOYSA-N;146.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89711;MM89711;COC=C(CO)OCCO;QGBUIUGHFBGUGX-UHFFFAOYSA-N;148.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89712;MM89712;COC=C(CO)OCCF;KQAMDISROFKKKI-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89713;MM89713;COC=C(CO)OCOC;QJDISKRPLGGKGV-UHFFFAOYSA-N;148.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89714;MM89714;C#CCON=CC(O)CF;NTHZJELHPABNJJ-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89715;MM89715;C=C(NC=N)C(C)(O)CO;FDYKDDWCINEBSB-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89716;MM89716;C=C(CO)N(O)C(=N)C#N;CHYWMLMGXGONPR-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89717;MM89717;C#CC(C)(CC#N)C(=N)N;CAQDLOGIZVYCHX-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89718;MM89718;CCCOC(CO)=NOC;CJRWPVVHCYXDNE-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89719;MM89719;C#CC(=NNC)C(F)CO;XKCFITOVFVOWDR-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89720;MM89720;CN=C(C#N)N(C)O;KXZRFOFLHABVLE-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89721;MM89721;C=C(NC=N)C(F)CCO;QKIJGEFRKGWFJW-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89722;MM89722;CON=C(CO)CCC#N;QUPQXPULSDXWQD-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89723;MM89723;C#CC(=O)C(=NC)N(C)O;GVDHTWLIOWXDQJ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89724;MM89724;C#CCN(N=CC)C(N)=O;KDZPUJOUSIFLRL-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89725;MM89725;CNC(=N)NN=C(N)NC;PQGNKCXYYVOIAP-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89726;MM89726;CN(O)C=NN=CCC#N;XYIGWIOVACYNKW-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89727;MM89727;O=CCCC(=CCF)CO;XYMILNJLGXQPCL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89728;MM89728;COC=C(CO)CCC#N;LGACETAKOMYNGB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89729;MM89729;COC(=CCO)CCC=O;QHZXSKSYROUNHK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89730;MM89730;COC(=CCO)CCC#N;PLHHYEGGOQEQHJ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89731;MM89731;C#CC(CCF)NC(C)=N;DLSFWYXWOHVLPB-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89732;MM89732;CNC(=CC#N)NC(=N)N;PEIIBHYZUDVLRK-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89733;MM89733;COC=C(CF)CNC=O;VJIUKWWUIBMMQK-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89734;MM89734;CCON=CC(C)NC=N;PRSHHYXHKUXVJX-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89735;MM89735;CN=C(NC)C(C)N(C)C;AJOLVJIRWJGASY-UHFFFAOYSA-N;143.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89736;MM89736;CN(CC#N)C(=N)C(=N)N;ZWDRBJWXQNTBDN-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89737;MM89737;C=COCC(=CCO)CO;HGHKYEJCHZJUHJ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89738;MM89738;C=COCC(=COC)CO;WXOAMGKXVCMYIG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89739;MM89739;NN=COC(N)=CC(N)=O;HSUXDWPTSJSYGJ-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89740;MM89740;C=COCC(=CCO)OC;LKASVAUUXGZTEG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89741;MM89741;COCC(CC#N)NC=N;QBYXQRAEFVROKM-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89742;MM89742;CNC(=NNC(=N)N)NC;AEIONKBQLGLNNW-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89743;MM89743;COC=C(COC=O)OC;DCBSOZDBDNWKLQ-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89744;MM89744;C=CC(=CCC=O)NC=N;CXVWVTLLENQTHK-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89745;MM89745;C#CC(CF)N(C=O)N=C;SFWHXMIHSMDBDU-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89746;MM89746;C=CN(N)C(=NN)N(C)C;UEQMUXPUGWUXMB-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89747;MM89747;CCC(=NOC)OC=NN;ATWVPTLVLVNPCF-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89748;MM89748;CCC(N)C(C)CCNC;YHFOMTVUWSKYPR-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89749;MM89749;CN(C=N)C=CC#CC#N;YKYGMOPMJRMKJY-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89750;MM89750;CCNN=C(OC)C(C)O;FTSQXWWRYCNLGL-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89751;MM89751;C=C(C)N(C=N)CCC#N;CNJJVSMHCLFHHB-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89752;MM89752;C#CC(=CCOC)C(=N)N;UCMVWNHBTFRNSP-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89753;MM89753;CN=CNCC(=NC)NC;MRRMJFHNWPHTTI-UHFFFAOYSA-N;142.21;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89754;MM89754;CN=C(NC)N(N)C=CF;GKSAOKOLNHRUHP-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89755;MM89755;CCNN=C(CO)OC;WQTKUEYNRIBGNS-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89756;MM89756;COC=CC=NOC(N)=O;BXXCCXHRGAUBEB-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89757;MM89757;C#CC(N)=C(C#N)C(C)O;NSRNTHLRRFIDAL-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89758;MM89758;CC(=O)C(C)(C)CN=CN;RVUYUFDCRBQBPZ-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89759;MM89759;CC(C)=CC(=N)NN;VGFYEAUQWKKBCB-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89760;MM89760;N=C(CC=CF)NN;YNYURPOCVSHOJL-UHFFFAOYSA-N;117.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89761;MM89761;CNC(C)(C)CCCN;DTLGBDJQAWOPLE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89762;MM89762;C=CC(C=O)=NNCC=O;JBGLQWUBWGCTNL-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89763;MM89763;C=NNC(=N)C=CNC=N;ZNQNZXQZCUYMDM-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89764;MM89764;CN(C=O)N=CCC=O;MOVPRFCKENREAU-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89765;MM89765;CCON=COCCC=O;AESIMIVXNFZPAH-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89766;MM89766;CNC(=N)NOC;QRBRRBKQLLFUFL-UHFFFAOYSA-N;103.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89767;MM89767;C=CNC(=N)C=COC;SMJYNPVQWZDRFC-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89768;MM89768;C=C(C=CC=O)NC=N;PWFPMEQIGRZNTI-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89769;MM89769;C=CCONC(=N)NC;JPRWODKUVDHBQR-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89770;MM89770;C=NNC(C#N)(C#N)C#N;WSRMABPZGQPPBR-UHFFFAOYSA-N;133.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89771;MM89771;C#CC#CCNN=COC;MXFNAZJHPWIZTE-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89772;MM89772;NN=CN(C=NN)OC=O;PVJXZXWIOAPXDG-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89773;MM89773;N#CC=C(NC=N)NC=N;PYHVTJRNCLOEQS-UHFFFAOYSA-N;137.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89774;MM89774;CC(=O)N(C)C(=N)CC#N;QEXCUQFOHRRPEV-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89775;MM89775;C#CC(C#C)C(O)C(=N)N;OSAUECKZDYAXOP-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89776;MM89776;CC(=N)N(N)CCCF;TVNGEXYRZAIAMF-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89777;MM89777;COCC=NOC=NN;KXTITPYSLJTXMX-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89778;MM89778;C=CCOC(=CCO)CO;SHAIBVODGAOAPV-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89779;MM89779;N#CCOC(=CCF)CO;NIBKIVAVJNLJCP-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89780;MM89780;N#CCOC(=CCO)CF;WQHPVGREQXKDEL-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89781;MM89781;C=CCOC(=COC)CO;PZPCYTDLYFILDG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89782;MM89782;COC=C(CO)OCC=O;ZDLWYEARLBEHTI-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89783;MM89783;COC=C(CO)OCC#N;DLMQMNYPGANHGK-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89784;MM89784;C=CCON=COC=NN;AWTKBBOGRRCKEB-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89785;MM89785;CNN=C(CO)OCC#N;DQZQHMGAWUDNRY-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89786;MM89786;CCN(C)C(C#N)C#N;XVXVUVSSCGBYSC-UHFFFAOYSA-N;123.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89787;MM89787;C=C(C#CC=O)C(=N)N;VEMBCYVZZXBVGV-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89788;MM89788;CCCC(C)=NOC(N)=O;QNLOHUGGGMLKCO-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89789;MM89789;COC(C)(CO)C(=N)N;ARTNIZLGHPQLQB-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89790;MM89790;CC(C)(O)C(C)(C)NC=N;FAHXYKCRDPCLCK-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89791;MM89791;CN(O)C=NN=CCO;KKRYFOCXINHBKP-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89792;MM89792;C=CC=NN=CN(C)O;PSMVYKYLVGTBHL-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89793;MM89793;C#CC(CC#N)C(=N)N;ZJJHHKFHDBDUFS-UHFFFAOYSA-N;121.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89794;MM89794;CCC(C)(NC=N)C(C)O;IETOJYSSPZNCPM-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89795;MM89795;CCC(CC)(CO)NC=N;RCNOCFJXTZBYJN-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89796;MM89796;COCC=NN=CN(C)O;GXLPDVNJOFQXON-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89797;MM89797;CNN=C(CO)ONC=O;XUDOLGDWEZPEJJ-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89798;MM89798;CON=C(CC#N)CC=O;SCHPVBNCFHWYTF-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89799;MM89799;COC(C)=CCC(=N)NN;UKBKFKRWJDINSO-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89800;MM89800;CNN=C(NC)C(=O)C=O;MIFMCHKEUCZZCK-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89801;MM89801;C=NOC(C#N)=NNC;JQDMVMONYNQGSW-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89802;MM89802;CNN=C(OC)ONC=O;MUFMLWKGBXLJHE-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89803;MM89803;C#CC(C#N)=CC(=N)NC;ZXFXJNPSHKZCCD-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89804;MM89804;C#CCCC(=CCO)CO;CNXLRPRFCHTTDM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89805;MM89805;CCCNN=CC=O;OHZDSSBJQJSKMQ-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89806;MM89806;CCC(C=O)=CN=C(C)N;YKZIKGVJNLNHSE-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89807;MM89807;CNN=COC(C=O)=CN;NKMRACMXZJKRLC-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89808;MM89808;C#CC#CCNC(=N)C=C;YDYRJQCMPWZQFK-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89809;MM89809;COC(=CC#N)CNC=N;CPOQWKPCBJSUQB-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89810;MM89810;C#CCOC(=COC)CO;HIMOGRZXMJJQLF-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89811;MM89811;NC=CC(=NN)OC=O;QUXZUXFRVMHXRH-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89812;MM89812;C#CCOC(CO)=NOC;YWDSDZIPKPTRAG-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89813;MM89813;CNC(=O)ON=C(C)C;DYHDSNLVRHBLIR-UHFFFAOYSA-N;130.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89814;MM89814;C#CC(NC)=C(C#N)CO;NJKBWFAZPFJYBE-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89815;MM89815;CN(O)C=NN=CCF;GETDUBHVRAJMIX-UHFFFAOYSA-N;133.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89816;MM89816;C#CC=C(CNC=N)OC;ZXAQZUVKGANLAY-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89817;MM89817;C=NN=C(C=O)CNC=N;WAXYMCUCFYSBEY-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89818;MM89818;C=C(C)N(C=N)CCNC;DZUJSEHDYJFGLN-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89819;MM89819;COCCC(=CC=O)CO;DJPZKGOLCCIIKN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89820;MM89820;COCCC(=CC#N)CO;JBDRKYRTFLABGE-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89821;MM89821;CC=C(CO)NC=N;UTPNDCNWMHDNCF-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89822;MM89822;CNC(=N)C(C)=CF;NYSHCBPPFCNSAV-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89823;MM89823;COC(=CC#N)CCCO;KLKGXYXQYYOYFP-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89824;MM89824;CNCCCCNC;CZPRYVBLOUZRGD-UHFFFAOYSA-N;116.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89825;MM89825;N#CCC(CO)NC=N;LIZLGLJRWQTGCQ-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89826;MM89826;C=CNC(=N)COC=C;UIAGCYRYSQJLGD-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89827;MM89827;C=C(CC)N(N)C(C)=N;AQSRULBGNYTLHC-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89828;MM89828;C=NN=C(CO)CCOC;YRMPVAMJIARJST-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89829;MM89829;CC=CNC(=N)C(=N)N;QVRTZGIWMFRGNW-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89830;MM89830;COC=CCC(=N)NN;JCZDHJCDOFGUBZ-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89831;MM89831;COC=NNC=CC(N)=O;GXVQCAFNBWIEJM-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89832;MM89832;C=CC(=N)NC=COC;HPOYMRPCIKBEGH-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89833;MM89833;O=CCON=CCF;USIHLYAZRZAEKK-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89834;MM89834;C=CN(OC)C(=N)NC;BJDGWFPHFDNNTA-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89835;MM89835;CCCOC(=O)CC(=N)N;LDCBBNBRKMDBSZ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89836;MM89836;CNN=CC(F)C#N;CKFQMZZYMXSMCR-UHFFFAOYSA-N;115.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89837;MM89837;C#CC(C=O)=CNC(C)=N;HODGLLMAKNQVOJ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89838;MM89838;N#CCC=NOCOC=O;FUJZZCWWEYFFTH-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89839;MM89839;CCCONC(=N)NCC;JYJXIKLDEOBKIG-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89840;MM89840;CC=NOC(C#N)C#N;PJJIIEOMBYHNBD-UHFFFAOYSA-N;123.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89841;MM89841;C=CN(O)C(C#N)=NC;VATGZTGYETXVRV-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89842;MM89842;CN(C)C=NCC=NO;GADWGCSYDKUMOS-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89843;MM89843;CON=C(C)C(C#N)C=O;JZPHUCFHSUZMSW-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89844;MM89844;CNCC=CC(=NO)OC;QVWNGGVZIIRHPZ-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89845;MM89845;C#CC(=NN)C(F)CO;RAWCXOXDQLLMPE-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89846;MM89846;CCNN=C(CF)NC=O;BXOMUTLHBFUYGV-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89847;MM89847;CN(O)C=NN=CC=NN;PPTCWFVITGAEGW-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89848;MM89848;C=CNC=NC=CC=NO;YPKRRNCYKLDTSW-UHFFFAOYSA-N;139.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89849;MM89849;CON=C(N)C(F)C=O;VBNZAIJLTYQBSF-UHFFFAOYSA-N;134.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89850;MM89850;C#CC=NOCC(=O)C#C;SDORKFNBCQVYHS-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89851;MM89851;C=COC(C=NNC)=NN;SSGZMBBFYWWHRS-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89852;MM89852;CCON=C(CF)NC=O;KOFWNTBVZUWLKJ-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89853;MM89853;C=COC(C=NN)=NN;NMPLFFFWQQVDMO-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89854;MM89854;CC(=NO)OCCCCN;VIFWEFRHHYZEPG-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89855;MM89855;CCONC(=NC=O)OC;BQKYXUVGBGJURD-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89856;MM89856;C#CC(=NN)OCCOC;IGZVWDGLEKDVQQ-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89857;MM89857;CCC(=CC=O)OCCO;WHZUPGNYNHRNCB-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89858;MM89858;COCOC(=CC#N)CO;XZXWBTRKNCXNJS-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89859;MM89859;CNC(=CC=O)OCCO;HCWOCDHJFBIURG-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89860;MM89860;C#CC=NOC(C=C)=NN;QMKXSULKICHBJD-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89861;MM89861;C=C(C)C(=C)C(N)C(=N)N;ABUFNFWTQVRHHN-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89862;MM89862;C=NN=C(CC)OCCO;IJYHKFZLMSJSOP-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89863;MM89863;C#CC(=CC)OC=NN;VZWKCEXKSUFOQD-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89864;MM89864;C=NN=C(CO)OCCF;OCBMKEQHDSMESJ-UHFFFAOYSA-N;148.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89865;MM89865;COC(CO)=NN;HHMPILQJCWVGGP-UHFFFAOYSA-N;104.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89866;MM89866;N#CC=C(N)C(F)CO;QENHQBOCOWZSOG-UHFFFAOYSA-N;130.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89867;MM89867;CN(C(=N)N)C(=N)NC=O;WOAFJBLLCDLTRP-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89868;MM89868;CC(C)(O)C=NOC=NN;RLLKUNRYGKPGAG-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89869;MM89869;C=C(C)C(O)C(=C)NC=N;QWGYAYIAFLUZKY-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89870;MM89870;C#CC=C(CO)OC=NN;CBVXFKBZWSBPMC-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89871;MM89871;CC=CN(C)C(=N)CNC;WXAOBXMITJBEOW-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89872;MM89872;N#CCCC(=CC=O)CO;ZFOGSPJUGJEJLK-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89873;MM89873;N#CC=C(CF)CCC#N;CFGASUPBOBRMJJ-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89874;MM89874;COC(=CF)CN(C)C=N;XHNRZZVYPXBPIZ-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89875;MM89875;COC(=CC#N)CCC#N;JXCUNBJWKHWILY-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89876;MM89876;C=CC=C(CO)CNC=O;KVEOFABUQLSCLC-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89877;MM89877;C=CC(NC)=C(C#N)CO;LNAQSBBBZKWMOI-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89878;MM89878;N#CC=C(CO)CNC=O;JUJAJUNJUJATGK-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89879;MM89879;C=CC(=N)NCC#CC=O;PFYYKIMDQUJRJS-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89880;MM89880;CN=CNC=CC(C)CN;MUWIMUJPDIGYHX-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89881;MM89881;CC(CCC=O)N=CN;QZYYRYXLJGXGFJ-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89882;MM89882;CN=C(COCC#N)NC;XXCRQDOVYIHBRD-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89883;MM89883;CC(C)CNC(C)C;PHQYHKHLCPPXKT-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89884;MM89884;COC(=CC#N)CNC=O;QWSUZFSABBDSDG-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89885;MM89885;CNC(=NOCC#N)NO;UKPNYUHURBLQET-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89886;MM89886;CCN=CNC(C)C;GJXHPXRXLJSJGW-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89887;MM89887;CNN=C(N(C)C)N(C)N;AOOHNIWSELTJLO-UHFFFAOYSA-N;145.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89888;MM89888;CNC(=CC=O)COC=O;WYAQAJAYFYQKFS-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89889;MM89889;C=C(CF)N(C)C=N;UPKHVFCECGIOSD-UHFFFAOYSA-N;116.14;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89890;MM89890;CC(=N)N(N)C=C(C)C;WXJANQUCTQUQLZ-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89891;MM89891;N=CNC(=N)NC(=N)N;KNTUNOPXPGDMNM-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89892;MM89892;C=NN=C(CO)CCC#N;NWGWDADBTUIUOR-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89893;MM89893;C=NN=C(CCC#N)OC;JCEDHHZMRPVECZ-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89894;MM89894;CC=NN(CC=O)C(N)=O;PGVSEBKYUWFXOE-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89895;MM89895;C=CC(F)=CNC(=N)N;ZZAIZXNSWFGKOU-UHFFFAOYSA-N;129.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89896;MM89896;COC=NOCCO;NTQCMISNNCGLDU-UHFFFAOYSA-N;119.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89897;MM89897;C=COC(=C)CNC=N;OHXZEVYHQXQQKS-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89898;MM89898;CON=COCCO;RHRLFRZQDFVCQN-UHFFFAOYSA-N;119.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89899;MM89899;N=C(N)C(=CF)NC=NN;WVDYZTICLKJFAY-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89900;MM89900;CC=CNC(=N)COC;NPNAMKBOTXPBEZ-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89901;MM89901;C=CCNC(=CC=O)CO;NJBSKYHCYRQZQF-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89902;MM89902;O=CC=C(CO)NCC=O;BGOCXZPIEKNSSV-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89903;MM89903;N#CCNC(=CC=O)CO;OFMIZYKRIHVXLU-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89904;MM89904;N#CC=C(CO)NCC#N;YVHUFADMMDKCAC-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89905;MM89905;CON=CC(F)C(C)=O;WJVFLAKXNDEQIY-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89906;MM89906;CN=C(NN)NC=COC;KYSGHKGYHQNVIY-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89907;MM89907;C#CCCC(=N)N(C)N;ONFBYHPISRRNKY-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89908;MM89908;COC(=CC=O)NCC#N;SIHUBEJBUWYECT-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89909;MM89909;C=NOC(=O)OCCCO;IUKAUMOSJQVSIH-UHFFFAOYSA-N;147.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89910;MM89910;C=CC(=N)NCC#CC;WRQAJOFBRFIUMM-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89911;MM89911;CC(=O)CON=C(C)CF;PTRVOIWKUPWZPE-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89912;MM89912;CC(C)NN=CC=O;ZLJGITLINZBKOQ-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89913;MM89913;CC=C(C)C(=N)NNC;VTDVQXRZQOPAIV-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89914;MM89914;COC(=CC#N)NNC=O;MDMGCNKGZBKSBK-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89915;MM89915;NN=COC(C=NN)=NN;VKVGVRFWVGJQTD-UHFFFAOYSA-N;144.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89916;MM89916;CC(=CF)N(C)C(=N)NN;QNLRZXBCKKNWSG-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89917;MM89917;CCC(=NCC#N)NC=O;YYOCAWGMWQAGEB-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89918;MM89918;CNN=C(C)OC=CC=O;CLNBYWTVSZAVQM-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89919;MM89919;N#CCN=C(CO)NC=O;MLVCUNDOODKHAY-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89920;MM89920;C#CC(OC)OC(C)=NN;HDJPTIWGQUXQKM-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89921;MM89921;CCCNC(=N)NOC;LNUUZCMJIQVPNY-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89922;MM89922;CNN=CC(C#N)=CC#N;SUYPZOZHHSBNNP-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89923;MM89923;CC(C#N)ON=CCC#N;CXQZMOBDQAYECW-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89924;MM89924;CNN=C(OC)C(C)O;QYFLVWZANJOWKE-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89925;MM89925;CC#CC(N)=C(C#N)CO;KWWADNVFSAXDJK-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89926;MM89926;N#CC#CC=NNCCO;VQSJDLNETXJKHL-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89927;MM89927;CC(=O)C#CCCN=CN;YGRURKAIIWKVJN-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89928;MM89928;CC(CC(C)O)=NOC=O;LCGWOHBWIBYMJR-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89929;MM89929;C#CCN(N=C)C(=O)CF;KHANDWVQDWPJOK-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89930;MM89930;CNN=C(CF)CC#N;XFFNUYYINMFRCJ-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89931;MM89931;COC=NNCC#N;FTCMYTBIYKYDMW-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89932;MM89932;CCON=CNC(=N)C#N;UZZNXBFNQMMEDD-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89933;MM89933;COC(=NC=O)NCC#N;MEZXBDUOGNJFDD-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89934;MM89934;CCONC(=N)NC;PJMMTTPLCIPVBM-UHFFFAOYSA-N;117.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89935;MM89935;N#CCC#CC=CNC=N;WHTAJGLNBWIBTM-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89936;MM89936;NN=C(C#CCF)CO;UNDRELYXLAUWBE-UHFFFAOYSA-N;130.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89937;MM89937;C=CC(CO)=NOC(C)=O;QFJGMLZOZKTFEY-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89938;MM89938;C=NNC(CO)=NNC=O;JHBJJRPCWDNNTM-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89939;MM89939;C=NN(CC=O)C(=O)C=O;UROJMFAQUSSURA-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89940;MM89940;CN(C(=N)N)C(=N)CO;KYNUEKKKJGBXOM-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89941;MM89941;C=C(C#N)C=NOCC=O;KRFCPSLPUPWNSN-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89942;MM89942;CNN=COC(N)=CC=O;GNNLZKDCGQOHNH-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89943;MM89943;C=C(CF)OC=NN;MRWAMIKVDKBAHG-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89944;MM89944;NN=COCOC=CF;MCGOTHVRYQCTQY-UHFFFAOYSA-N;134.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89945;MM89945;C#CC=CCNC(=N)CO;CWQDGPKCCSMBFP-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89946;MM89946;C=CC=C(CO)OCC=O;OFZZJQDRFJFPRF-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89947;MM89947;C=CCOC(=CC=O)CO;UROMGNVVKKIGAP-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89948;MM89948;N#CCOC(=CC=O)CO;CMCTYUXOAIUUOH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89949;MM89949;N#CC=C(CO)OCC#N;MPKBSJPILWZSIH-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89950;MM89950;N#CC=C(CF)OCC#N;COUPUPRJOIOOGS-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89951;MM89951;CNC(=CC=O)OCC=O;FRNCHUZCFPEDLC-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89952;MM89952;CNC(=CC=O)OCC#N;IFDOEXPTXBXYRZ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89953;MM89953;CC(=NC(=N)NO)N(C)N;LFIAXNMBZOJBTQ-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89954;MM89954;CC=C(CNC=N)OC;OROZPGUOBLDVKA-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89955;MM89955;C=NN=C(CO)OCC#N;CJXLNMBGJOQJCY-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89956;MM89956;C#CC#CCOC=NN;GDYRFCKPMBXJEK-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89957;MM89957;C=NOC(=O)C=C(N)C#N;ZYUXCNZTWGHNRN-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89958;MM89958;CNN=C(CO)OC;RJXVWFPFDYZSQO-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89959;MM89959;CCON=CC(F)C=O;BYJRDNOIVPWWKP-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89960;MM89960;N#CC(=CN)C(C#N)CO;ZPZPFJYOIPFPIQ-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89961;MM89961;N#CCOC(=NC=O)NO;VIMGXYBYEAVFKQ-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89962;MM89962;N=CN(C(=N)N)C(=N)N;MTJWQJLRSANTOH-UHFFFAOYSA-N;128.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89963;MM89963;CC(=O)CC=NOC(C)=O;YRZITJXWQKKCAM-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89964;MM89964;CC(CN=CN)C(N)=O;LWVSIRURSDPOMB-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89965;MM89965;CC(=CC#N)NCC=O;YIHIRICKVUSORM-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89966;MM89966;C=NN=C(OC)OCC#N;OBFAAYLMMSLSOG-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89967;MM89967;COC(C)=NNC(C)C#N;SZIQDGIUZWHFSR-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89968;MM89968;CNCCCCCNC;BESLVGXJZXNIJE-UHFFFAOYSA-N;130.24;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89969;MM89969;CNN=COCC#N;PCDJRFZLKMMBIF-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89970;MM89970;COCC(=N)NC(C)(C)C;GXICZVBRUYYVTQ-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89971;MM89971;C=CCNC(=N)C(C)(C)N;WROBASHLSCWTQK-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89972;MM89972;C#CCN=C(CF)NC=O;OKSVXHVMEVUQTQ-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89973;MM89973;C#CC(CO)=NOCC;PWORIAFZUAMWED-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89974;MM89974;C=CC(=NOC=O)C(C)O;ZMUGXBTZLVDQGT-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89975;MM89975;CC(O)C=NN=CC=CN;OIVKKDPDQKRATM-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89976;MM89976;CON(C=N)C(N)=O;AZTUWPNNUVLATP-UHFFFAOYSA-N;117.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89977;MM89977;C#CC=NOC=NNC;BBWYWTBDWHOJIZ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89978;MM89978;CCNN=COC=NOC;MOWAIBDVHKYLHE-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89979;MM89979;CNN=C(C)OC(C)C#N;AMLWMWXLTZERJC-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89980;MM89980;C#CCOC(=CC#N)CO;YWGJIYZFONXUHX-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89981;MM89981;C#CCOC(=CC=O)NC;PXRPACJMLMBGTB-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89982;MM89982;C#CCOC(CO)=NN=C;XUFAWFLFGUMMLI-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89983;MM89983;CC=NN=COC=NN;WRXXAKGGJHTSJY-UHFFFAOYSA-N;128.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89984;MM89984;C#CCOC(CC#C)=NN;POUYQOATTAVHFD-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89985;MM89985;C#CCOC(=NC=O)NO;UYRYHUSZMDECOR-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89986;MM89986;CNN=CC(F)(C#N)CO;UHVGARSRKOWBCO-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89987;MM89987;CNC(=CC#N)C(O)CF;UXRUTONCXJECPX-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89988;MM89988;CN=CN=C(NN)N(C)C;BQIWLRPWTCEBEF-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89989;MM89989;CCN(C)N=C(CO)OC;MEDBLVXUXCMIBV-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89990;MM89990;C=CCN(C)NC(=N)C=C;IFWLJUGDQHVZQU-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89991;MM89991;C=NNC=C(C=N)C=O;FIJYACXERPSHSV-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89992;MM89992;N=CNC(=N)NN;WSYZPZTYFQOJLK-UHFFFAOYSA-N;101.11;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89993;MM89993;C#CC=C(CO)OCCO;CNJRRFGVZJGKHJ-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89994;MM89994;C=CC(=CC(=N)N)OC=O;OYWUNBCHCAWHSV-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89995;MM89995;C#CC=C(CO)OCOC;DCKGRYIVHAQBGR-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89996;MM89996;C#CC=C(CO)CCC#N;MPUXRMFOUGUHQO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89997;MM89997;COC(=CC(=N)N)N(C)C;XEJDDGDERFABHH-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89998;MM89998;CN=CN(C)C=CCCN;ASALFURYTPBOET-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM89999;MM89999;C#CC=C(CNC=O)OC;BFHGTIJGFOUETR-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90000;MM90000;CC=CC(NC=N)C(C)N;DVKNXJSWXMUIBN-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90001;MM90001;C=NN=C(NO)C(C)O;MCQFRBXMXWBCSH-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90002;MM90002;C#CC=C(CO)OCC#N;QJRGBHAKDUKDMT-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90003;MM90003;CC(C)=C(NC=N)C(C)N;UZFHIDWBPPONIY-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90004;MM90004;CNC=C(C=O)CCCF;NCABNWFKMKGRHH-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90005;MM90005;C#CC(N)=CC(=NC)NC;ASSBEAMWIYNOJG-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90006;MM90006;COC(=CCF)CNC=N;LANJXTNZXLASJF-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90007;MM90007;CC(C#N)=C(N)C(F)CO;OVGREZZRPWBUGE-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90008;MM90008;CCOCC(C#N)=CCO;IMGPNPJNEKGWIW-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90009;MM90009;CCOCC(C=O)=CNC;ODDKSBHCAONLQZ-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90010;MM90010;CCC(CC)=NOC(N)=O;SAPHJSMIBLJRDJ-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90011;MM90011;CON=C(N)C(F)C(C)=O;SHXUYCAVHBLARZ-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90012;MM90012;COC(CNC=N)=C(C)C;LROHISUSKWRTCA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90013;MM90013;CONC(=N)NC(C)C;ZSNACLXOOVCKRO-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90014;MM90014;C#CC(=CNC=N)C(=N)N;LXNJRSXIVWZLMY-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90015;MM90015;N#CCC(C=CF)NC=N;VPNVEMNCGHZSBM-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90016;MM90016;C=CN(OC)C(=N)NCC;QQPOACWFKONSBI-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90017;MM90017;CNC(=N)C=CF;LJPDMTBCBIOZSB-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90018;MM90018;C#CC(=NNC)OC;XTZDFDWOJZPSPA-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90019;MM90019;CC=CNC=NC;NEYCRTRKGPJSRF-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90020;MM90020;CNC(C)(C)C(C)C;UVXNOYVRAWBANB-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90021;MM90021;CCC(C)(CC)NC;ZMVHRWPZFKGQRN-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90022;MM90022;C=C(C)C(CC#N)NC=N;ABEOJKBIVDDODF-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90023;MM90023;C#CCNC(=N)C=C;MXJUVXFMEZJORE-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90024;MM90024;C=NNC(=CC#N)C(=N)N;QTGGLFSJEFABCK-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90025;MM90025;OCC#CCON=CCF;RVUBJQGRIWUPEV-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90026;MM90026;C#CC(C#N)=C(N)C(C)O;BYZWKXKUTYVKJA-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90027;MM90027;C=NN=CN(C)OCCO;LUKYBKUASCXXAL-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90028;MM90028;CN(O)C=NN=CC=O;YPUHGJPRVMJIKI-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90029;MM90029;COC(C#CCCO)=NN;CZMYDNLEEVWKLJ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90030;MM90030;CON=COCCC=O;LXLJIAVFTXYTCE-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90031;MM90031;CC(CCN)OC=NO;LBZJKCOOTJHQAH-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90032;MM90032;COC(CC=NO)CCN;PWKKDSOXKNQIIK-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90033;MM90033;CNC(=N)NCC(O)C#N;DPSLHSJPVYTGOF-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90034;MM90034;CCON=C(C#N)NOC;GWYPDIYWBXXVDF-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90035;MM90035;CCC=C(C=O)OCCO;VISJHBAZDRCPAG-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90036;MM90036;CC(N)CCC(C)(C)N;PWAFLIBMAOAMGE-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90037;MM90037;CNCC(C)CC(C)N;TYURBZALTIRPDA-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90038;MM90038;CNC(C)C(C)CCN;PYILYYLYVNIWPJ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90039;MM90039;COC=C(C=O)OCCO;DRYMGQZCTLKWIX-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90040;MM90040;COC=C(C#N)OCCO;UFZCAIRMINUHSI-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90041;MM90041;COC=C(C#N)OCOC;XSZMGTFEGKPARA-UHFFFAOYSA-N;143.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90042;MM90042;CNN=C(C#N)OCCO;HVVAUPGDPIVMKU-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90043;MM90043;CCNC(=NO)NC(=N)N;QQEJDFLEQAICIY-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90044;MM90044;C=CC(=NOCC)C(C)=O;MYMKXQNRHWQZID-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90045;MM90045;CC#CC(O)C(C)NC=N;LYXHFPLAPSPITB-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90046;MM90046;CN=C(N)C(C)=CC=O;QKXJKTFKRQRUNY-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90047;MM90047;CNN=COC(C)=C(C)F;NLJLNRXJEBWWKZ-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90048;MM90048;CON=C(C#N)OCCO;XZVACAZGBWGFMG-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90049;MM90049;CON=C(C#N)OCCF;LGBHYSRNZUELBY-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90050;MM90050;COCOC(C#N)=NOC;TZSFNBBVJOSMLI-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90051;MM90051;N#CCCC(C=O)=CCO;BBPDWWNNZIZQLF-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90052;MM90052;N#CC(=CCO)CCC=O;LENMRTQNMPZFNF-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90053;MM90053;N#CCCC(C#N)=CCF;HIYRLMZRJZCXBW-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90054;MM90054;CNC=C(C=O)CCC#N;ADNFUMMOFHPRGI-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90055;MM90055;CON=C(C)OC=NN;MDTUXXZJTQFNOM-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90056;MM90056;CC(F)(C#N)CNC(=N)N;KXVBZRWIYVYKTR-UHFFFAOYSA-N;144.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90057;MM90057;N#CC(=CCF)CNC=O;NHSGSEUIJXFZTR-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90058;MM90058;COC=C(C#N)CNC=O;MALVKZOCFYZYBF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90059;MM90059;C=COCC(C=O)=CCO;SBEHGBRERHIDSB-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90060;MM90060;O=COCC(C=O)=CCO;FKXQAATZTVTGQI-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90061;MM90061;C=NN(C)C(C)(C)C(=N)N;WFIRKZWLNURAHF-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90062;MM90062;COC=C(C#N)COC=O;YTCGITUYMOCJIX-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90063;MM90063;C#CC(C)(N)C(=C)NC=N;XYSZOKGKQLYLQC-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90064;MM90064;C=CC(=N)NN(C)C(C)C;QJXSEDHQSFSVHF-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90065;MM90065;NN=COC=COC=O;STGCBJNNJPEUHV-UHFFFAOYSA-N;130.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90066;MM90066;FCC=NOCCF;PGKSLAZNWURTGO-UHFFFAOYSA-N;123.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90067;MM90067;CON=CC=NOC(N)=O;DVZMRPXDSGHHKB-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90068;MM90068;C=C(C)C(=N)NN(C)CC;KPZDWSNFFBZVAS-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90069;MM90069;C=NN(CC(=N)N)C(C)C;DUIKDFVDMIIOJH-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90070;MM90070;CNC(C)C(C)C(C)CN;GFBODPMTABYJAR-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90071;MM90071;C=C(NC=N)C(C)(O)CC;LHBMZPCVOOIJHS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90072;MM90072;C=CCC=CNC(=N)CO;SBVMWGOKYDGQCP-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90073;MM90073;CON=C(C#N)CNC=O;KYAMBLUGUIDNJF-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90074;MM90074;N=C(N)N=C(C=O)NO;WSCHHJLHNMXNMR-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90075;MM90075;CNN=C(CO)OC=NN;LVFGQMKZOLJVAM-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90076;MM90076;C=CC(=CCCO)NC=N;ARTFKFYHAFWEAL-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90077;MM90077;C=C(CNC=N)OCCF;RRXRLIJCLNDSKQ-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90078;MM90078;C#CC(=NOC)C(C)O;WGHXBEGPMNZUIV-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90079;MM90079;C=C(CNC=N)OCC#N;SYKXLOIZNGTMLX-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90080;MM90080;C#CCOC(=C)CNC=N;ZUDCIIXSVRTFPD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90081;MM90081;C=C(C)CC(=N)NCC=O;PQDGXRWDFRPTOW-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90082;MM90082;N#CC(=N)N(O)CCO;HPPPPDLFLVXZRB-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90083;MM90083;COC=NNC(C#N)CO;HUGCRKYZWRANTG-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90084;MM90084;C=NOC(=O)C(=CF)CO;LMGMBKGGEQEGJH-UHFFFAOYSA-N;147.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90085;MM90085;COC(C=O)=NN=CNO;VGDKXYAMFHVYHC-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90086;MM90086;N#CCOC=NNCCO;SYAOTVLCRUJBTI-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90087;MM90087;CCNN=CC=O;MNZVNCQPULXXMV-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90088;MM90088;C#CC=NNC(=N)C=O;LUMVJKPVWZRLBA-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90089;MM90089;C=NOC(C#CCF)=NN;IASXRTAWLZVTKK-UHFFFAOYSA-N;143.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90090;MM90090;C=CCNC(=N)CC(C)=O;ZEDMWDUFMKEEFS-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90091;MM90091;C=NN=C(CO)NO;NNIMWHQCJVVVIP-UHFFFAOYSA-N;117.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90092;MM90092;CON=C(C#N)NCC#N;RQSIMDQYVGPJPD-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90093;MM90093;C=C(OC)C(CO)=NOC;ZJLAMCAOQDWRAW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90094;MM90094;CC(CO)=NN=CC=CN;COAUFLUTRJCYGQ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90095;MM90095;C=CCOC(C=O)=CCO;QUEFHKOHIBXXKO-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90096;MM90096;N#CCOC(C=O)=CCO;LDKKEGCVLWETQM-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90097;MM90097;N#CCOC(C#N)=CCO;RWOXANDNOKZJHL-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90098;MM90098;C=CC(N)C(=N)NCCC;JIILMLKGEFVNJN-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90099;MM90099;C=CC(=COC)OCC#N;ZGLBMLXAZHXKBN-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90100;MM90100;COC=C(C=O)OCC=O;ZJNIDZVPMBPGBJ-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90101;MM90101;COC=C(C=O)OCC#N;MOLOVGUUMZMFKV-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90102;MM90102;COC=C(C#N)OCC=O;VJAAFUYBSQDZTO-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90103;MM90103;COC=C(C#N)OCC#N;NNFSBYQYTKGOBO-UHFFFAOYSA-N;138.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90104;MM90104;CC(N)=CC=NN=CCO;AWVZDACEARRYNO-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90105;MM90105;CNN=C(NNC)N(C)C;ZJPHVNPNNZAIQA-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90106;MM90106;CCC(CCN)C(C)NC;XJSCBCDRGVQWJQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90107;MM90107;CN=C(CNCC#N)NC;ONUQJIDOFNETFT-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90108;MM90108;CON=C(C#N)OCC=O;WLOMKFCRUUFMNP-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90109;MM90109;CON=C(C#N)OCC#N;JGNPJQHZGMNKKI-UHFFFAOYSA-N;139.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90110;MM90110;C=CC(C)N=C(C=O)NO;KETOIJGWHLFMOG-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90111;MM90111;CNN=C(C=O)ONC=O;DZWRJFDZMDHARR-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90112;MM90112;C=C(NC=N)N(C=O)NC;XDRDEPDJZZPDBM-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90113;MM90113;CN=C(NC)NC=NN;CZVZBOZVPAERIU-UHFFFAOYSA-N;129.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90114;MM90114;CON=C(C#N)ONC=O;PPHYCXJBMSBBSQ-UHFFFAOYSA-N;143.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90115;MM90115;C#CC=CN(N)C(=N)NN;CDNMBHIOZDRQQK-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90116;MM90116;C=CN(N=CC)C(=O)NC;SQNPGZMSZZDEPH-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90117;MM90117;C#CCOC(C=O)=CCO;USUFUCZBMWWDOT-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90118;MM90118;C#CCOC(C#N)=CCO;XIZRHJIVLOCYQY-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90119;MM90119;C#CCOC(C=O)=COC;KDIPPEBCBYBFLW-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90120;MM90120;C#CC(=C)NC(=NC)NN;HMCNSCFIMHTTHI-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90121;MM90121;C=C(NC=N)N(C=N)C=N;MKHCXBNMOCJOOR-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90122;MM90122;CCNC(=N)NOCC;CBPMLZNXJBTZFH-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90123;MM90123;N#CC=C(C#N)CCCO;GKVXLPHJLIIESH-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90124;MM90124;COCCC(C=O)=CC#N;LFHUBDHFTNXZBI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90125;MM90125;COCCC(C#N)=CC#N;LNWHPPCUCUEXTE-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90126;MM90126;C=CCN(C)C=NC;HGBJKBOUSXHDAP-UHFFFAOYSA-N;112.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90127;MM90127;O=CC=C(C=O)NCCO;MNBDYSRWPROTOL-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90128;MM90128;N#CC(=CC=O)NCCO;KUEZIYQDVLPYII-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90129;MM90129;N#CC=C(C=O)NCCO;RTHGEYPMYKDHHB-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90130;MM90130;N#CC=C(C#N)NCCO;XCZMMAFRDANXLN-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90131;MM90131;N#CC=C(C=O)NCCF;SNFAVTIPQMQVSM-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90132;MM90132;N#CC=C(C#N)NCCF;FVWXAYQVYXFASD-UHFFFAOYSA-N;139.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90133;MM90133;C#CC(=CNN)C(=N)NC;AJZFIXZKVZKOOO-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90134;MM90134;CC#CC(=NN)OCCO;LPBLOFPMWYANGO-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90135;MM90135;CC=CN(N=CC)C(N)=O;AQAGXAPTQDXDBR-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90136;MM90136;C=C(C)N(OC)C(=N)NC;IRBAQXCSZILJCA-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90137;MM90137;C#CC(=NN)ON=C(C)C;RGSWLOIBDYRDPK-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90138;MM90138;N=C(N)NC(N)=NO;VNCWWWSEJXYSIV-UHFFFAOYSA-N;117.11;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90139;MM90139;CCC(=NNC)N(C)C=O;RQFHFUHGSCOPEF-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90140;MM90140;CCNN=C(C#N)NC=O;AYPCJMUWWRESTG-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90141;MM90141;CC=CC(=N)NNC;GAVNFTPSRJOVHK-UHFFFAOYSA-N;113.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90142;MM90142;C=CC(=NOCC)NC=O;UZRGEQFULCKMRD-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90143;MM90143;C=NN=C(C)OC=NN;XHLTVJONHUWDHM-UHFFFAOYSA-N;128.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90144;MM90144;CCON=C(C#N)NC=O;AQCPSWFTIPNRJM-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90145;MM90145;C=CC=C(C=O)OCCO;CNKYOCKQHWUWMA-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90146;MM90146;O=CC=C(C=O)OCCO;PRSLONLEPCTKRP-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90147;MM90147;N#CC=C(C=O)OCCO;APDJXAATWSJQCP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90148;MM90148;N#CC=C(C#N)OCCO;XRMTYRSDXDCHKU-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90149;MM90149;N#CC=C(C=O)OCCF;JXOOIFRAKZJZCK-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90150;MM90150;N#CC=C(C#N)OCCF;AFISGCALPITJGO-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90151;MM90151;COCOC(C#N)=CC=O;YMQFEYZBYDYSAZ-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90152;MM90152;COCOC(C=O)=CC#N;XQOGGODHPMTSOI-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90153;MM90153;COCOC(C#N)=CC#N;QHSMRTVBNQCHDX-UHFFFAOYSA-N;138.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90154;MM90154;C=CC(=NN=C)OCCO;UOYVOYZDPPDEHZ-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90155;MM90155;C=NN=C(C=O)OCCO;SCVJCXMWSFKWGF-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90156;MM90156;C=NN=C(C#N)OCCO;ANNJUUKRAWOBFY-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90157;MM90157;C=NN=C(C=O)OCOC;MBFAAFCFXJRYCO-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90158;MM90158;C=NN=C(C#N)OCOC;WVDTUDZRLQYFPY-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90159;MM90159;N#CC=C(C=O)CCC#N;UTXZEQDFEYRDKW-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90160;MM90160;N#CCCC(C#N)=CC=O;WXGXAFOJIQVMCW-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90161;MM90161;C=NOC(=O)C(N)=CC#N;JIMDSCKEOYJIQC-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90162;MM90162;C=CC(=CC#N)CNC=O;OODZSJYWZHHUKC-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90163;MM90163;C=CC(=N)N(N)C=C;WAMMJZJIHNBTLJ-UHFFFAOYSA-N;111.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90164;MM90164;C=CC=C(C=O)CNC=O;LQXREGSUTBKIFK-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90165;MM90165;CC=NN=C(NO)C(C)O;KSSLEPSTHVHJAN-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90166;MM90166;C#CC=CN(C)C=N;NQKVEKUKODAURR-UHFFFAOYSA-N;108.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90167;MM90167;COCC(C)(O)C(=N)N;MIGQQCRTOXYLBB-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90168;MM90168;N#CC(=CC=O)CNC=O;UTFSHJDEQSPIRQ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90169;MM90169;N#CC=C(C=O)CNC=O;JHKOHKLRKKTIIU-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90170;MM90170;N#CC=C(C#N)CNC=O;ZTWADYKUIVCAPB-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90171;MM90171;CCOCC(CO)=NOC;POWCLOHFIWHOMR-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90172;MM90172;N#CC(=CC=O)COC=O;XOAFAIGVBSPZSQ-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90173;MM90173;N#CC=C(C=O)COC=O;MUACIJFHLFUZNA-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90174;MM90174;N#CC=C(C#N)COC=O;BNENTPAJKCWKBI-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90175;MM90175;C=C(C)N(N)C(=N)CC;DWWXWXRGVAGWOI-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90176;MM90176;C=C(CC)C(=N)N(C)N;AOTIDYOKRIOAIN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90177;MM90177;C=NNC(CC)C(=N)N;JCOVOCBNUCCRRO-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90178;MM90178;C=CC#CC=CNC=N;KQEBBNFUGZEGOJ-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90179;MM90179;C=NN=C(C#N)CCC#N;HNJCMGXKRVHDIB-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90180;MM90180;C#CC=NN(C)CC(=N)N;MKLCPRPINWAAAY-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90181;MM90181;CC(C)CNC(C#N)C#N;WPYPYJCMPMLCMP-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90182;MM90182;C=NN=C(C=O)CNC=O;AICWNVLRKOCWKM-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90183;MM90183;C=NN=C(C#N)CNC=O;SIYBRAZLNODWJU-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90184;MM90184;C#CC=NOC(C)=NN;HJWYAULACCPESF-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90185;MM90185;N=C(N)C(O)CO;JULLTPGMRGWZIU-UHFFFAOYSA-N;104.11;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90186;MM90186;C=C(C=CF)C(O)C(=N)N;XHSYZAVWKTTZNH-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90187;MM90187;CN=C(NC)C(C)(C)NC;BRZZWDLQXCMVPF-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90188;MM90188;O=CC=C(C=O)NCC=O;RVKHPBLOBVGMQP-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90189;MM90189;N#CCNC(C=O)=CC=O;VYZGHUZRUUCSPU-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90190;MM90190;N#CC(=CC=O)NCC=O;OQLCZLGUMPIEAR-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90191;MM90191;N#CC=C(C=O)NCC=O;CZEDTAJHJAQKLV-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90192;MM90192;N#CC=C(C=O)NCC#N;ONUPAXAAMRQXBD-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90193;MM90193;N#CC=C(C#N)NCC=O;WVIVHFVHJYANQV-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90194;MM90194;N#CCNC(C#N)=CC=O;QXBMZUMOXIFGOO-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90195;MM90195;C=CC(=CC#N)NNC=O;HTSAQEGLFMWXAI-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90196;MM90196;C#CCC(=NN)OCOC;WOUZVIKQBWZRSQ-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90197;MM90197;N#CC=C(C=O)NNC=O;JPSILVJAYGMEIV-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90198;MM90198;N#CC=C(C#N)NNC=O;GHMMSCJPQQGGGU-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90199;MM90199;C#CC(=COC=NN)OC;UDZOCVMCAMDEPO-UHFFFAOYSA-N;140.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90200;MM90200;N#CCNC(=N)C(F)F;GLEWPCAEOTWBMZ-UHFFFAOYSA-N;133.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90201;MM90201;COC(CO)=NN(C)C;MLDRFQQCUIZKIW-UHFFFAOYSA-N;132.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90202;MM90202;N#CCN=C(C#N)NC=O;COAITTBCQLHLMW-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90203;MM90203;C=NN=C(C=O)NCC=O;WVNFSUTTXXIFHF-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90204;MM90204;C=NN=C(C=O)NCC#N;LUNQKYWKSNSECX-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90205;MM90205;C=NN=C(C#N)NCC#N;BCMKSFRPHMQMIS-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90206;MM90206;NN=C(C#CC=CF)CO;PXNWYWGQTUUNMY-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90207;MM90207;N#CC(=NNC=N)NC=O;AUGYGFDFLQCLHR-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90208;MM90208;COC(C)=NOCC(C)O;UJYGYNMOXGWPID-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90209;MM90209;C#CC=NN=CN(C)O;WRYWPPLMGVABFA-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90210;MM90210;C=NN=C(C=O)NNC=O;AEWPENICBZFRMD-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90211;MM90211;CC(C=O)=NN=CN(C)O;JZKFKJOMHQOEQW-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90212;MM90212;N#CC(=NOC=O)NC=O;LLACMHUMKQWYOF-UHFFFAOYSA-N;141.09;-1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90213;MM90213;O=CC=C(C=O)OCC=O;OPODESYYTRNLLH-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90214;MM90214;N#CCOC(C=O)=CC=O;PYSOMDNFCMKUBW-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90215;MM90215;N#CC(=CC=O)OCC=O;NFTGZHHNSKJQQQ-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90216;MM90216;N#CC=C(C=O)OCC=O;PTUVHEKUMODYAV-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90217;MM90217;N#CC=C(C=O)OCC#N;GGUGOKXPACZSLV-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90218;MM90218;N#CCOC(C#N)=CC=O;SFXWZMKDTRCXTD-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15485;MM15485;C=NN=C(C=O)OCC=O;ZTHZKYKNFOPLAS-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90219;MM90219;C=NN=C(C=O)OCC#N;WIPMUKJEAFJHED-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90220;MM90220;C=NN=C(C#N)OCC#N;ZJLRPMMCJRWRET-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90221;MM90221;CN=CNCC(C)(C)NC;PPCCXWNDKNIFEZ-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90222;MM90222;C=CC(=CC)C(O)C(=N)N;AGCUBTGCKDMSAJ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90223;MM90223;C=NN=C(C=O)ONC=O;ILTQFTPTRBTHOV-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90224;MM90224;C#CCNC(C#N)=CC#N;ZNOJLTFNIHPTLP-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90225;MM90225;C=C(C)C(N)(CC)C(=N)N;LONBMJMIYWBUDM-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90226;MM90226;C#CCN=C(C=C)NC=O;IGRJMOHTRMMUQT-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90227;MM90227;CC(=NN(C)C)C(F)C#N;QQPUNVIWXMZFMV-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90228;MM90228;C=C(C=CC)C(O)C(=N)N;LCGAXSUSBCZYQQ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90229;MM90229;CC(=CC(F)C#N)NC=N;SIAKXXWCPUYEOY-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90230;MM90230;C#CC=C(C=O)OCCO;GOMFQYKOFKOCGO-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90231;MM90231;C#CC=C(C#N)OCCO;IASRINOFGCJJSJ-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90232;MM90232;C#CC=C(C#N)OCOC;LPWLBNNNDQRHMC-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90233;MM90233;C#CC(=NN=CNO)OC;FZRTYRPVPVONSA-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90234;MM90234;C#CC=C(C=O)CNC=O;QOKVZZFJKCCUOJ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90235;MM90235;C#CC=C(C#N)CNC=O;PBPDVCCLOAQDSJ-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90236;MM90236;C#CC=C(C=O)OCC#N;XRSSWFYICMFGQQ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90237;MM90237;C#CC=C(C#N)OCC#N;UADYLVVUBSSQDC-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90238;MM90238;CCC(C)NC(=O)C=NN;WRYNYMMSHXUTLE-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90239;MM90239;CC=NN(CC)CC(=N)N;VHFGWHYEZWQYQT-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90240;MM90240;CC(C)CNC(=O)C=NN;PYNOZLMGGATSPU-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90241;MM90241;CCNC(=CC(=N)N)OC;FHTJWBJTHWIHTB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90242;MM90242;CCCCNC(=O)C=NN;NCRIFJQIWRUSRQ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90243;MM90243;CCOC(=CC(=N)N)NC;NMROBJVIPIVMLF-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90244;MM90244;CN=CN(C)CC=CCN;AOZOIVMOZXZCLW-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90245;MM90245;C=CCC(=C)C(=N)NNC;ZIEVDCCPHAOPFC-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90246;MM90246;C=C(NC=N)C(O)CO;IGIZPIJMERMVIF-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90247;MM90247;C#CC=NNC(CF)=NN;LVPLYXFCBSLSPC-UHFFFAOYSA-N;142.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90248;MM90248;CNCC(C)C(C)C(C)N;ZRBDGSWRQDLYSP-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90249;MM90249;C=CC(=O)C(C)CN=CN;DCAYXWZRKBOGMK-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90250;MM90250;CC=CCNC(=N)CO;UGKVOMIEOAZDLN-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90251;MM90251;C#CC(=CCO)OCCO;WQTZJKHTMJAOKI-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90252;MM90252;C=CC(C)C(CF)NC=N;JZGDLQISMWOFMN-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90253;MM90253;C#CC(=COC)OCCF;UQIBXJLRGLDMQJ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90254;MM90254;C#CC(=COC)OCOC;XISPKZGBTSYDLW-UHFFFAOYSA-N;142.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90255;MM90255;N=C(CO)NCC=CCF;JRRPLKJVYQAPBO-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90256;MM90256;CNC(=N)C(=CC#N)CF;WGVSDJPXLGIVBI-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90257;MM90257;C=C(NC=N)C(C)(C)O;NWXVMBGNGOGXGP-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90258;MM90258;C=CC(CCNC)CNC;GVGXOEJCZANHOD-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90259;MM90259;C#CC(=CCO)CCC=O;WRPMTANJMKXATD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90260;MM90260;C#CC(=CCO)CCC#N;WFBATRLPSVNESK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90261;MM90261;C#CC(=CCF)CCC=O;XXFCWKCOVFCEQU-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90262;MM90262;COCC(=CNC=N)CF;BNTQOVHXMUJESN-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90263;MM90263;C=NOC(=O)OC=NNC;JMCBOFYMKGUMRR-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90264;MM90264;C=C(NC=N)C(CF)OC;QWRYNMHUZZGXRA-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90265;MM90265;C=C(NC=N)C(C#N)NC;CJTICXITJGYAEM-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90266;MM90266;C=C(CF)NC=N;NIRXIQNDNFPOPW-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90267;MM90267;C=CC(C)C(=N)NN;UADZBNSLJWYKHL-UHFFFAOYSA-N;113.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90268;MM90268;C#CCOC(C=NN)=NN;FWIDZEYJSSVHMI-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90269;MM90269;C#CC(C=NN)=NN=C;NKTCJUVHNKQDNF-UHFFFAOYSA-N;122.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90270;MM90270;CN=CC=CNOCC=O;ZYNXNSYSHQXUAS-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90271;MM90271;C=CC(=N)N(C)C(C)C=O;WGBSWMHMZWRICR-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90272;MM90272;C#CC(=CCO)OCC=O;CINVZLGGLPXJBP-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90273;MM90273;C#CC(=CCO)OCC#N;HCCBQGKHZHAQGG-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90274;MM90274;C#CC(=COC)OCC=O;FAGOAJLNEJQYDJ-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90275;MM90275;C#CC(=COC)OCC#N;NKJOAKMYUPKJIE-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90276;MM90276;C=CC(CO)=NN(C)C=O;OOILNZOZRTTZAE-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90277;MM90277;CON=C(CC#N)N(C)O;WKNDPPWUVFMPEQ-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90278;MM90278;CN=C(COC)NC;GVMYGPAIVBENQK-UHFFFAOYSA-N;116.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90279;MM90279;CNN=CC(CO)=C(F)F;YINWAADWLAYQCQ-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90280;MM90280;CC#CC=CNC=N;PDSKZEUNSDKXBQ-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90281;MM90281;C=CN(N)C(=N)NC=NC;FXDGKMLVNZHPPJ-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90282;MM90282;C#CCOC(C#C)=CCO;QAXIFHDNBJRHNB-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90283;MM90283;CC(=N)NC(C)(C)C(C)=O;JVCLUVZLOYSKLD-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90284;MM90284;C#CC(=NN)OC;QJSKJKYYKNHVFG-UHFFFAOYSA-N;98.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90285;MM90285;CNN=CN(O)C(=N)C#N;YZTODSVPMYXIFH-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90286;MM90286;CC=NN=C(CO)NO;JPYUZAPAONNOFF-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90287;MM90287;C#CC(=NNCC)NC=O;NPVYOKWDPRILOY-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90288;MM90288;C=C(C)C(=N)NN(C)C;TWQVUPSWXMOAES-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90289;MM90289;C#CC(=NOCC)NC=O;KISBQSRUEVYHDX-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90290;MM90290;CCC=NN=C(CO)NO;HKSFOIUSPLPFLL-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90291;MM90291;C#CC(=CC=O)OCCO;RGXZARLUQDJHES-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90292;MM90292;C#CC(=CC#N)OCCO;BMQRNULXGMCKPF-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90293;MM90293;C#CC(=CC#N)OCOC;BORXFBHRFHNZRM-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90294;MM90294;CNC(=CC(=N)N)OC;CEVJWVHLXGMLSU-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90295;MM90295;C#CC(=NN=C)OCCO;NUFJAINLBUBORX-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90296;MM90296;C#CC(=NN=C)OCCF;NZTJEPHAUJKDMN-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90297;MM90297;N=C(CC=CCF)NN;IPTSMJCMTGYEBG-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90298;MM90298;C#CC(=CC#N)CNC=O;YIJMLTTVTYBPOQ-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90299;MM90299;C=CC(CO)=NOC=O;UYJGMFJVYRJMDT-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90300;MM90300;CCNCC(=NC)NC;OAKCHQRRNMLUHA-UHFFFAOYSA-N;129.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90301;MM90301;C#CC(CNC=O)=NN=C;SZYXEGJAZIRCDH-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90302;MM90302;C#CC(=CC=O)NCC=O;OHLFXZKLFSEWNK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90303;MM90303;C#CC(=CC=O)NCC#N;HZTCPOOTMSVINN-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90304;MM90304;CCNCCCCNC;KRHIROAJBNEFCZ-UHFFFAOYSA-N;130.24;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90305;MM90305;C#CC(=CC#N)NNC=O;QKIPGLIDBHJDHR-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90306;MM90306;N#CCOC(N)=CC(=N)N;GXRNZUOKEUTOSA-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90307;MM90307;C=NN=CN(O)CC;BJNVIHDQEMVNDG-UHFFFAOYSA-N;115.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90308;MM90308;CNC(=NN)N(C)CCF;WATMFAWLXBTRLC-UHFFFAOYSA-N;148.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90309;MM90309;C#CC(=NCC=C)NC=O;ISQHDKUEZJTJLV-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90310;MM90310;N#CCON=CCO;WNHXXTXIKQCDJE-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90311;MM90311;C#CC(=NNC=O)NC=O;OVDHCMXKLHUMSA-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90312;MM90312;C#CC(=NOC=O)NC=O;KBZPBSZGXDZMFT-UHFFFAOYSA-N;140.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90313;MM90313;C#CC(=CC=O)OCC#N;HLBUNGTUWJHWSL-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90314;MM90314;C#CC(=CC#N)OCC#N;ZORJPNODZOOAAX-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90315;MM90315;C#CC(=NN=C)OCC#N;ORQJTNZOZLVVSJ-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90316;MM90316;CC(N)C#CC=CNC=N;LGPPMQULETZJIG-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90317;MM90317;C#CC=C(C#C)OCCO;HNNUASXHXUIBFX-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90318;MM90318;C=C(C)C(NCC)C(=N)N;PVRVZKCCXJWFMS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90319;MM90319;C#CC=C(C#C)OCC#N;JSHMEVHOPUJKTE-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90320;MM90320;CN(C=N)C=CN(N)C=O;ZTBZQNKEPYHUSQ-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90321;MM90321;OCC=C(CO)CC=CF;GYRVZBLKLXDDKR-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90322;MM90322;NC=CC=NN=CCO;BHIOVTQTEIZELD-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90323;MM90323;C=C(C)N(N=CC)C(N)=O;OTMUVZPIIWOCNV-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90324;MM90324;COC(=CCO)CC=NO;DMQWPWRBEZEYSY-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90325;MM90325;C#CC(=O)N(CCO)N=C;FUEIWWXVVTYDRU-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90326;MM90326;C=CCNN=CC=O;WOWLWSRBTNCPTG-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90327;MM90327;C=C(F)C(C#N)NCC=O;YZQLFQJCZAGYPY-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90328;MM90328;CNN=C(CC=NO)OC;RGAMNISLAPIYFS-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90329;MM90329;CON=C(CC=NO)OC;YONRRKROKVLADI-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90330;MM90330;N#CC=C(N)NNC(=N)N;JLYSQEKDFBUMIW-UHFFFAOYSA-N;140.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90331;MM90331;CN=C(CNC(C)C)NC;QBBITCLLEDMGHE-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90332;MM90332;C#CC(=CNC(=N)N)OC;SWGWZVHXLSGTQW-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90333;MM90333;CC(C)=NOC(=O)C=NN;MVNSTUAFLWWFQV-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90334;MM90334;COC=C(NC=NO)OC;YRCGOGRNBSHFPF-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90335;MM90335;C#CC(=CN)C(=N)N;XETFJYQEJHIWPH-UHFFFAOYSA-N;109.13;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90336;MM90336;C#CC(F)C=NNCC#N;UTWZTRMEZZMGGY-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90337;MM90337;N#CCNN=CC#CC=O;BOLYFUNTWICMLD-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90338;MM90338;CON=C(CO)NC=NO;NLCFUVPRSKAADP-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90339;MM90339;CC(C)=CCN(C)NC=O;VTOLVUXDISZSGC-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90340;MM90340;CON=CC#CC(=O)CO;FCGAUJZOWLGPTA-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90341;MM90341;CCCON=C(CO)CO;NOSKBKVVNYWAED-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90342;MM90342;CNC(=O)N(C=N)OC;NAYZTENFGRMBGD-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90343;MM90343;CNC(C(=N)N)=C(F)C=O;HZVCDYSZDLHNGV-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90344;MM90344;CCOC(C)=NOCCO;GZHPMDDMOJCHLW-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90345;MM90345;CNN=C(C)C(F)C#N;YACMRKHHWJGCSP-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90346;MM90346;C#CC(CF)=NNCC=O;IOQWUJCPFWZWPE-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90347;MM90347;CC(=O)CC=NOC=O;QBUBFZCALGOPGY-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90348;MM90348;CCC(F)(C#N)CNC=N;LCFCIOUUFISFOR-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90349;MM90349;CNN=CON=CCC#N;KRFKFOFKEJJSNS-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90350;MM90350;C=CC(C(=N)N)=C(N)C#N;GWYXGEOYRXVXLU-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90351;MM90351;CN(C)N=CN(C)C(=N)N;OXVGREAGPDRPGN-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90352;MM90352;CNN=COC=NOC;HTPAOGRRZSMDKZ-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90353;MM90353;CCN(C=N)CC=NNC;VXOYWSGVZAHBEF-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90354;MM90354;C=CC#CC(=NN)OC;SILWJNSSXFKLEY-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90355;MM90355;N=CNC(=CF)C(=N)N;RNBRYSGLDAKQNJ-UHFFFAOYSA-N;130.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90356;MM90356;CC(O)(CO)C(=N)N;GVBJCNNEGXOALD-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90357;MM90357;CC(=O)C#CC(C#N)=CN;VDGJRXJKRHJLQS-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90358;MM90358;C#CC(O)CC=NOC=O;BGTRQBJZEHOFLW-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90359;MM90359;C=CN(C=N)C(=C)NC=O;YSVJCDPBDJWBRZ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90360;MM90360;CON=CC(CO)=NOC;DHXFUAKDMGACLM-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90361;MM90361;C=C(C)C(CO)=NOC=O;JDZWRFGTNBMFLL-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90362;MM90362;C#CC(C)N(O)C=NOC;UDWFCMJOAWNRPG-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90363;MM90363;O=CC#CC(F)C(O)C=O;NAOLPVLOUWAAQL-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90364;MM90364;N#CC(O)C(F)C#CC=O;ZBEBWARXWSUIKD-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90365;MM90365;N#CC#CC(F)C(O)C#N;KSOARMMZXQPYNM-UHFFFAOYSA-N;138.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15296;MM15296;N#CC#CC(F)C(F)C=O;OKRZNFJGTIRAKC-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90366;MM90366;C=CC(C)CC(N)CNC;GZSGLZBWVUZWKK-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90367;MM90367;C#CC(C)CC(N)CNC;RFQKPFLPNXPRLO-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90368;MM90368;C=CC(=CF)NC(=N)C#N;IKHFITKGNPBCCJ-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90369;MM90369;C=NN(CC)C(C#N)C#N;FQXYBCXFNHHVST-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90370;MM90370;C#CC#CC(O)C(O)C=C;WCSCLFCQUQUIEG-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90371;MM90371;C#CC#CC(O)C(O)C#N;UZTVIJINJZOOST-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90372;MM90372;C#CC#CC(O)C(F)C=O;PRRJJFKWYWEMMC-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90373;MM90373;C#CC#CC(F)C(O)C#N;ZNVJDNNXUSSAQN-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90374;MM90374;COC(=O)CC(C)CCN;NMBPMYCGGMADQX-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90375;MM90375;N#CC(C#N)=CC(=N)N;TXFLFUQVFJWQJX-UHFFFAOYSA-N;120.12;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90376;MM90376;C#CC=CC(C=NO)CN;KEKABLJDMORMNR-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90377;MM90377;C=C(CCN)CC(N)CF;DGPYGYSCIMSOLC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90378;MM90378;CCC#CCNNC=O;MUTLBBWOMYEIFP-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90379;MM90379;CCC(N)CC(N)C=CF;DJPFVJPQZHYEOD-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90380;MM90380;COC(=CF)N(O)C=NN;BXJISKFJRULKPU-UHFFFAOYSA-N;149.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90381;MM90381;C#CCN(O)C(=N)ON=C;HFYVSUDRLFPKMQ-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90382;MM90382;CCCNC(=N)NC(N)=O;SQKKSXOTRHLTFW-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90383;MM90383;CC(=O)N=CN(O)C=NN;GCKFAFCGJSRBAM-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90384;MM90384;CNCCCC(C)(O)C#N;UWWOIQWKZJZDQV-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90385;MM90385;C#CC(O)C(O)C#CCC;WQWVNYUODBEYHO-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90386;MM90386;CCN(O)C(=N)C=O;XDMAWROTBOUUOM-UHFFFAOYSA-N;116.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90387;MM90387;C=CC(O)C(F)=CC(=N)N;IFXZEQUGPGGUOQ-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15332;MM15332;C#CC(O)C(F)C#CCF;NHYWBTHIXXNYFJ-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90388;MM90388;CC=C(F)CC(N)CNC;VIQRIFLQWIMCGI-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90389;MM90389;C#CC(C)(O)CCCNC;HEPDLPGZQYNASF-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90390;MM90390;C#CC(C)C(O)C#CC=O;VJSURZCQKWURRY-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90391;MM90391;C#CC(O)C(O)C#CC=C;LIGSKVGZQCEDSJ-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90392;MM90392;C#CC(O)C(O)C#CC#N;DPKJZGJVCXRDBW-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90393;MM90393;C#CC(F)C(O)C#CC#N;XCSVETDYUWKIBX-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90394;MM90394;C#CC(O)C(F)C#CC=O;LDGLTMGSWSJHEX-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90395;MM90395;C=C(CC)C(N)CC(C)N;ATAGGLAKBWLDGD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90396;MM90396;COC(C)C=NOCCO;RXRLLZHZIPFRAD-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90397;MM90397;CCNN=COCCO;BBZIDGDCNZSFOF-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90398;MM90398;C#CC#CC(O)C(O)C#C;XKRWOTLOBRUPKK-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90399;MM90399;CNC(C)C(C)=CC(C)N;JULJFPJXXDFEQO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90400;MM90400;CNC(=N)C#CC(C)(C)O;ABFDSACGIOMQRA-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90401;MM90401;CNCCCC(O)C(C)F;FLEDOSCAFAHJHK-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90402;MM90402;C=C(CO)C(C)C#CCO;ZNDBAZDYLAGOSM-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90403;MM90403;CC(C#CCO)C(=O)CF;HVRVFCDJTBIMCO-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90404;MM90404;CCOC=NNCCO;HZPCWQHADXOHFU-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90405;MM90405;C=C(CC)C(O)C#CCO;BIEXXHIBWNIQLK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90406;MM90406;C=C(CO)C(O)C#CCC;ASJZPKCSXMXXOR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90407;MM90407;CNC(COC)CC(C)N;FFVPRNYVHBODOV-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90408;MM90408;O=C(CO)C(F)C#CCO;NPOJQXITESENIZ-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90409;MM90409;CNCCCC(O)CF;XINULBWVGCTWKU-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90410;MM90410;C=CNC(CN(C)C)=NC;UTELEZYBEQRAKW-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90411;MM90411;C=NNC(N)=C(C#N)CF;JNYATGCQOLWTPK-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90412;MM90412;C#CCCOC=NNC;YPDOGJOTBXROQN-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90413;MM90413;C#CC(C)NN=C(C)CF;KPFOCSWMTZYRQV-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90414;MM90414;CC(CCF)N=CNC=O;PJYWCUNOCBECTB-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90415;MM90415;CC(=N)NC(C#N)C(C)C;ZWSKPWQGJIAIBA-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90416;MM90416;COC(=O)C(O)C#CCF;YOOQVQZERRCCMA-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90417;MM90417;CNCC(N)CCC=CF;IFDCUZJOOUHIJU-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90418;MM90418;C=C(CO)C(C)C#CC#N;MQCOEQGECSDIMP-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90419;MM90419;N#CC=NNC(=N)CF;BAVGUYIKANKYFY-UHFFFAOYSA-N;128.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90420;MM90420;C=C(CO)C(O)C#CC#N;LSSRCMNESDMMLP-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90421;MM90421;C=CC#CC(F)C(=O)CO;AKGXXFZGZYYMEH-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90422;MM90422;O=CC#CC(F)C(=O)CO;ZMVGRVGHEVADRG-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90423;MM90423;CNC(=O)C(C)C#CC=O;NYCWUGMRHDMHQC-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90424;MM90424;CNC(=O)C(C)C#CC#N;RLRJLHDNNXJTID-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90425;MM90425;CC(C#CC=O)C(=O)NO;UPACENMNWVGXAH-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90426;MM90426;C=C(C)C(N)C(C)NCC;NDYYUXYKRRLSDV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90427;MM90427;N=C(N)N(O)C=CCCF;MCCVZCDWFRDHFJ-UHFFFAOYSA-N;147.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90428;MM90428;N=C(CO)NC(=N)NN;LPFRJAXVTZDKNB-UHFFFAOYSA-N;131.14;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90429;MM90429;CNC(=O)C(F)C#CC#N;JIDQJSNWZKMJQZ-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90430;MM90430;CC(CF)(CF)CCCN;VWGHIPNFNOFEPB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90431;MM90431;C=C(OC)C(O)C#CC=O;BSVNKBNBSFMXCC-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90432;MM90432;C=C(OC)C(O)C#CC#N;WBTIKRRPOVOMRI-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90433;MM90433;C=CC#CC(O)C(=O)OC;UEQYXALWIXGHAF-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90434;MM90434;COC(=O)C(O)C#CC#N;PURRVGMGFWHSDT-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90435;MM90435;CCC(N)(CF)CCNC;NEZREBBNAFUEAL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90436;MM90436;C#CC#CC(O)C(=C)CO;CAXAPJLJCXHKKL-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90437;MM90437;C=CC#CCNNC(N)=O;NJKQEYIOICOIIU-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90438;MM90438;C#CC(O)C(F)C=NN;XWGAPBFBGCPUHP-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90439;MM90439;C#CC(O)C(F)C=NNC;ZLXCRDQHVIZJAV-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90440;MM90440;CCOCC(O)C=NOC;IVAUWBILEGAIKX-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90441;MM90441;C#CC#CC(O)C(=O)NC;YLGSMYCUUKVLBL-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90442;MM90442;C#CC#CC(O)C(=O)NN;HICCJUPYUDTGID-UHFFFAOYSA-N;138.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90443;MM90443;C#CC#CC(O)C(=O)NO;TWJKRMXRWIAAHC-UHFFFAOYSA-N;139.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90444;MM90444;C=CC(=CC)NC(=N)CO;YZLWDBVAAQRBGR-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90445;MM90445;C=NOC(=NOC)C(C)O;CHPMDTKBETZHFP-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90446;MM90446;C#CC#CC(F)C(=O)NN;FRWUPQZHJICZQA-UHFFFAOYSA-N;140.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90447;MM90447;C#CC#CC(F)C(=O)NO;FPQDQAJIWCCMNE-UHFFFAOYSA-N;141.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90448;MM90448;C#CC#CC(O)C(=O)OC;MCVKBLMCXYIVFW-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90449;MM90449;COC(C)(CCCN)OC;MPXPIVKBZYOKPI-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90450;MM90450;N#CC(=CN)CC#CCO;ILAYEBMVORWLGE-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90451;MM90451;O=CC(=O)C(O)C#CCF;PNFJIWWXVHZZHT-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90452;MM90452;N#CC(=O)C(O)C#CCF;GFMLORQFYQXCGI-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90453;MM90453;O=CC(=O)C(F)C#CCO;ZXWIKVNMCTUGIQ-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90454;MM90454;N#CC(=O)C(F)C#CCO;HPFFRJCDELVWND-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90455;MM90455;C=C(C=O)C(O)C#CC=O;RXNSFERHTQOGQY-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90456;MM90456;C=C(C=O)C(O)C#CC#N;WHVZXXYSUPQBAG-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90457;MM90457;C=C(C#N)C(O)C#CC=O;KOVBEKRLKXWDCK-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90458;MM90458;C=CC(=O)C(O)C#CC=O;NJZCTWQDTBDJOZ-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90459;MM90459;C=CC#CC(O)C(=O)C#N;KOUCUWZOXYKNEP-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90460;MM90460;O=CC#CC(O)C(=O)C=O;HNEHYDYXVIADSC-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90461;MM90461;N#CC#CC(O)C(=O)C=O;LXDJCAAXKBCFQM-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90462;MM90462;N#CC(=O)C(O)C#CC=O;DATBSXJTDXFWKM-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90463;MM90463;N#CC#CC(O)C(=O)C#N;KRHAKGRKHZLZQT-UHFFFAOYSA-N;134.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90464;MM90464;C#CC#CC(O)C(=O)C=O;HNZIOSGUGGUMCO-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90465;MM90465;C#CC#CC(O)C(=O)C#N;SZJYFLLMCOOZKY-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90466;MM90466;C=CC(N)(CF)CCNC;IFJOKGJBGJEATR-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90467;MM90467;C#CC(=C)C(O)C#CCO;VYXAUTMXMZAVFE-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90468;MM90468;C#CC(=O)C(F)C#CCO;WTAXYMIYUISJAP-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90469;MM90469;C#CC(=O)C(O)C#CC=C;LPBQZMHDLPGMJH-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90470;MM90470;C#CC(=O)C(O)C#CC=O;HMYIAAYSUAJIPM-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90471;MM90471;C#CC(=O)C(O)C#CC#N;MLAHWCSWUVHAIL-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90472;MM90472;C#CC#CC(O)C(=O)C#C;RPDVXLNGNQDFEP-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90473;MM90473;C=CC(F)(CN)CCNC;PSUIHZITSLWCOA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90474;MM90474;CCC=NOC(C#N)CO;XMLXDWUQIDFWAN-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90475;MM90475;C=C(C#CCO)C(C)CO;GEFVHTNRRZLJRL-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90476;MM90476;C#CC(N)C=CC(C)CN;RHCJOUYLDKLIOO-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90477;MM90477;CC(CO)C(=O)C#CCF;OAGHEDHZWXOPBS-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90478;MM90478;CC(CF)C(=O)C#CCO;CKUHSCXOVUHXSB-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90479;MM90479;CCC(F)C(=O)C#CCO;PEGQUBGCALCJOI-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90480;MM90480;CCC#CC(=O)C(F)CO;LOZWTLFCLJKORX-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90481;MM90481;C=CC(C=C)NN(C)C=N;DEGQJBNFDWHMBQ-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90482;MM90482;C=NNCC(=O)C(F)C#N;MIYFUQGUIMSDBL-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90483;MM90483;COC(C)C(=O)C#CCO;DUCHVNLAFQVYIX-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90484;MM90484;CCC(CN)CC(=O)OC;YEYKNKBUYDZIIE-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90485;MM90485;CC(CO)=NOC(C)C;GKAKVWVLGPEVQH-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90486;MM90486;C#CC(=NOC(C)C)NO;PQYMSPNHHUJBJT-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90487;MM90487;NCCCC(F)CCCF;ZBHSVPDAENJIAZ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90488;MM90488;COCOC(C)CCCN;CSALIAXRKLRKRV-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90489;MM90489;C=C(C#CC#N)C(O)CO;CARMPASCVZTSDY-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90490;MM90490;C=C(C#CC=O)C(O)CF;MZARLIQSDCHILP-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90491;MM90491;C=C(C#CC=O)C(F)CO;QLGFFORVYDDTHV-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90492;MM90492;C=CC#CC(=O)C(O)CF;VWMCWJISNOCOJO-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90493;MM90493;O=CC#CC(=O)C(O)CF;SRJIYESUQKTBLV-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90494;MM90494;N#CC#CC(=O)C(O)CF;WWRKAKYOQMRSLS-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90495;MM90495;C=CC#CC(=O)C(F)CO;SIKMTLXAZFXHIA-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90496;MM90496;CC(O)C=NNC=CC=O;KPNQZAVDKITBJA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90497;MM90497;C=COCC=NOCCO;IKDIIEPUKQIMPW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90498;MM90498;CCN(C)C(=O)C#CC=O;MDSHZEVUFPABLX-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90499;MM90499;CCN(O)C(=O)C#CC=O;ATWQERCYBMMXAV-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90500;MM90500;CCN(O)C(=O)C#CC#N;ISHGXUKNTDPSBI-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90501;MM90501;C=NOCC(F)CCCN;XMJGQSVSCSDPKV-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90502;MM90502;C=NNCC(=C)CCCN;VZIWMGLGHOKMHI-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90503;MM90503;CC=CCC(=N)NNC=N;JYFYEEQGHKQWOE-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90504;MM90504;C=C(C=NNC)CCCN;OLXWEAGVAXAVDC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90505;MM90505;C=CC#CC(=O)N(C)OC;GLVLEAXICZSUIR-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90506;MM90506;CON(C)C(=O)C#CC=O;DZDXGMZJHOOWGI-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90507;MM90507;CON(C)C(=O)C#CC#N;FWWFJCNFHVFPSQ-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90508;MM90508;CC(=CNC=N)OCC#N;XGLYKZOYVDLTJS-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90509;MM90509;C#CC#CC(=O)C(O)CF;YAMCMAUTENXBDB-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90510;MM90510;C#CC#CC(=O)C(F)CO;WWAJUIOGBOUMGH-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90511;MM90511;COC(=O)C(C)CCCN;QBPPRFJSYXDRQL-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90512;MM90512;C=C(CCCN)C(=O)OC;YNCVBWZHOBCBBX-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90513;MM90513;C=C(C#CCF)N(C)C=N;LDGDTRHZLWVBJR-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90514;MM90514;C#CC(C)CCNCCN;HDROSMNHFSRQEQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90515;MM90515;C=C(C#CCO)C(O)C#N;LUFZBLFHSVCANC-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90516;MM90516;N#CC(O)C(=O)C#CCF;TUJSYVFAAGBHMN-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90517;MM90517;C=CC(F)C(=O)C#CCO;HZLXMSHMXVMOJB-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90518;MM90518;N#CC(F)C(=O)C#CCO;YVYGZQZSODLYLL-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90519;MM90519;CCC(=O)OCCCCN;WRQYHPOFHFUCJX-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90520;MM90520;C=CC(=O)OCCCCN;IEOMKERTJQIKKF-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90521;MM90521;CCC#CCNN(C)C=N;HYVARNOULWZZRY-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90522;MM90522;C=CC#CCNN(C)C=N;JLVLTWMZQUGKSA-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90523;MM90523;N#CCCCN(O)C(=N)N;YEWSYAIXPFQIPL-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90524;MM90524;C=C(C#CCF)N(O)C=O;YBXAXZGDPWTOFY-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90525;MM90525;CN(C=N)NCC#CC#N;MQSLRTAVKORVRQ-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90526;MM90526;C#CC#CCNN(C)C=N;PVVHHVXQOHTUJX-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90527;MM90527;COCC(CCCN)OC;ZVQHOAKNXXAZGQ-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90528;MM90528;C=C(C)C(O)CCCNC;XCKMTAQRXFSWPA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90529;MM90529;C=C(CO)C(C#N)=CNC;LRSOQXCIJFOPMR-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90530;MM90530;NCCCC(CF)OC=O;OTIJWZCOGUBFNW-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90531;MM90531;C=COC(CCCN)OC;OJRBHZCMHQOAJG-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90532;MM90532;C=NOC(CCCN)OC;ISASVVHQZNQCHP-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90533;MM90533;C#CC(CCCN)NN=C;XMJLVYJORMSCLQ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90534;MM90534;C=CN(O)C(=O)C#CCF;STCQTDQCUFPQIK-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90535;MM90535;CCC#CC(=O)N(O)C=N;SJYHGBRZJBUUBI-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90536;MM90536;C#CC(CCCN)OC=O;DBGUDBGHKKLQAV-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90537;MM90537;C=CC#CC(=C)C(O)C#N;RYRDNSVTWAUSGA-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90538;MM90538;C=C(C#CC=O)C(O)C=O;BKSDSNWGUQWMTB-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90539;MM90539;C=C(C#CC=O)C(O)C#N;NMXBDYGTHLGZLA-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02106;MM02106;CC(C#N)C(=O)C#CC#N;XQFFPWDTFYMQIZ-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90540;MM90540;C=CC(O)C(=O)C#CC=O;XTZQKTUHBHSGLW-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90541;MM90541;C=CC#CC(=O)C(O)C#N;OJBLOOIEUHWKML-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90542;MM90542;N#CC(O)C(=O)C#CC=O;RGJRTFJPRWVTAO-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90543;MM90543;N#CC#CC(=O)C(O)C=O;IIPGRWJIQXNWGP-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90544;MM90544;N#CC#CC(=O)C(O)C#N;IFUVYZCEKPVRME-UHFFFAOYSA-N;134.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90545;MM90545;COCC(=CF)CCCN;JHDHGNUCOZQSSB-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90546;MM90546;C=CC#CC(=C)N(C)C=O;LSJBKOHCPPICOO-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90547;MM90547;C=C(C#CC=O)N(C)C=O;UNNZYGIETMBOQK-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90548;MM90548;C=CC(C)C(CN)C(C)C;REORAGAKEVDCOA-UHFFFAOYSA-N;141.26;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90549;MM90549;C=C(F)C(C=CCN)CN;ZIAUKCKSQBDODI-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90550;MM90550;CC(CF)NC(=N)NO;UHAKYIUUWMCRML-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90551;MM90551;C=CC(O)CCCNC;VAJZGSCBYJESJV-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90552;MM90552;C=CC#CC(=C)N(O)C=O;XBMRXEVECQNEBK-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90553;MM90553;C=C(C#CC#N)N(O)C=O;RXHYPCKRUWZTDQ-UHFFFAOYSA-N;136.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90554;MM90554;C=CC(C=C)CNCCN;QUBISWYOHAYNFS-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90555;MM90555;C=CCCNN(C=C)C=N;SANRTNWKLPSJFL-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90556;MM90556;CCC(CN)=C(F)CCN;GIAWFULRTYVVTN-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90557;MM90557;C#CC=NNCCCCN;NYYGWSPGIVHMMI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90558;MM90558;NCCCC=CCOC=O;MTIBTVREGYERCE-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-Propylamine;MM00436;CCCN;WGYKZJWCGVVSQN-UHFFFAOYSA-N;59.11;0.36;7852;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90559;MM90559;N#CC#CCC(C#N)=CN;QUBZNTHBDKDUQA-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90560;MM90560;C#CCC(CC#N)=NNC;AULJPEZZTSIPBE-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90561;MM90561;C=CN(C)C(=O)C#CC=O;WIBMGLIJBVZXGF-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Amylamine;MM00537;CCCCCN;DPBLXKKOBLCELK-UHFFFAOYSA-N;87.17;1.14;8060;DB02045;AML;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90562;MM90562;C=CC#CC(=O)N(C)C=O;UWYMJFIKWOLXBN-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90563;MM90563;CN(C=O)C(=O)C#CC=O;FNKHAHZAKJWKEV-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90564;MM90564;CN(C=O)C(=O)C#CC#N;JLQJCEUWMJPWOO-UHFFFAOYSA-N;136.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90565;MM90565;CC1CC1CN;BRWRRWXQMCPPRZ-UHFFFAOYSA-N;85.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90566;MM90566;C=CC#CC(=O)N(O)C=C;AUCMTOVQKFKDIQ-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90567;MM90567;C=CN(O)C(=O)C#CC=O;IHCKAUCTYMUXEF-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90568;MM90568;C=CC#CC(=O)N(O)C=N;BHPVLOATYHLHTF-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90569;MM90569;CC(C)NCCN;KDRUIMNNZBMLJR-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90570;MM90570;CCC(N)CNC;RJWRAYIIAQIXGG-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90571;MM90571;CCNC(C)CN;BNKSAALXGVBEIG-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90572;MM90572;CCN(CC)CC;ZMANZCXQSJIPKH-UHFFFAOYSA-N;101.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90573;MM90573;NCCCCCF;KOLZZKRWBHRCBJ-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90574;MM90574;C#CC#CC(=O)C(O)C#N;PUIHHGNPTNARAW-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90575;MM90575;CC(F)CCCCN;LTROEWWOMRYSBS-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90576;MM90576;NCCCCC(F)F;PZURDJRXXCQKLZ-UHFFFAOYSA-N;123.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90577;MM90577;C=C(F)CCCCN;NGOMOCXIDUHPMZ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90578;MM90578;CCCC(N)CNC;XTVLXGBMFJLCQY-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90579;MM90579;C=C(CCNC)OC;CXWZNOGSPSCRNT-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90580;MM90580;C=NNC=CC(=O)C#N;CMUKHWAITLXOPY-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90581;MM90581;C=CC(CF)CNC;DEYQWAMCVUDSCU-UHFFFAOYSA-N;117.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90582;MM90582;C#CC#CC(=O)N(C)C=O;VHHGETWYCRVUBO-UHFFFAOYSA-N;135.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90583;MM90583;C=CN(C=N)NCC;OCVIPXKZNYXMLC-UHFFFAOYSA-N;113.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90584;MM90584;C#CC(=CC)NC=N;FYZFAOYMNKUNDX-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90585;MM90585;COCCCCCN;DMRHQYSRQGGRCK-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90586;MM90586;C=C(NC=N)C(C)(F)F;CIMQBZVLHVFCBC-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90587;MM90587;C#CC(O)C(=C)C#CCO;WYMAYUOMMIQILN-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90588;MM90588;C#CC(C)C(=O)C#CCO;KRUKOCKJJBIAEX-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90589;MM90589;C#CC(O)C(=O)C#CCF;VGEOZPUXEMJMSY-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90590;MM90590;C#CC(O)C(=C)C#CC=O;ARUFOTAKHFVZAO-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90591;MM90591;C#CC(O)C(=O)C#CC=C;MXVOSQULSCRTIA-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90592;MM90592;C#CC(O)C(=O)C#CC=O;WFITWLDXTUKWLD-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90593;MM90593;C#CC(O)C(=O)C#CC#N;ZTIYITCLOWNIDQ-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90594;MM90594;N#CC(=CN)CC#CCF;RYQZPSQLGXONNR-UHFFFAOYSA-N;138.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90595;MM90595;C=C(COC=NNC)OC;BIPQIHMJHKHCFK-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90596;MM90596;C=C(C#CCO)C(=O)CF;OVVNMZQFONTSIX-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90597;MM90597;C=C(CF)C(=O)C#CCO;RJPJTGUHKMABDI-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90598;MM90598;C=C(NC=N)C(=CF)CO;CULIQBRVGPQQMY-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90599;MM90599;C=C(C#CCO)C(=O)NC;BMQOQSLSLXGVDY-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90600;MM90600;CNCC(C)(C)C(C)F;FMWFAQIVUXRFSM-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90601;MM90601;CN(C)C(C)(C)CCN;ROEWEIJJGJGZJM-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90602;MM90602;NC(=NO)C(=O)C#CCO;OLEJQZKWBIRVOA-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90603;MM90603;CCC#CC(=O)C(=O)NC;PECHQGRCNZAPNW-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90604;MM90604;C=CC(N)C(C)(C)NC;NGTUBBMYCYAPIZ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90605;MM90605;C=C(C#CCO)C(=O)OC;IVKJOWFELUYIOK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90606;MM90606;C=C(OC)C(=O)C#CCO;CDQXNPVHKLGAAQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90607;MM90607;COC(=O)C(=O)C#CCO;TVFPKHQBNPVXHE-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90608;MM90608;COC(=O)C(=O)C#CCF;JBXJKRSYBQOJDO-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90609;MM90609;C=C(C#CC=O)C(=O)CO;GNXXBYOLONNINE-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90610;MM90610;C=C(CO)C(=O)C#CC=O;XDNFNPFERMVQAR-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90611;MM90611;C=C(CO)C(=O)C#CC#N;RCKFCFIVPNPBJW-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90612;MM90612;C=CC#CC(=O)C(=O)CO;QKQCFYNIGBPZFK-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90613;MM90613;O=CC#CC(=O)C(=O)CO;MGTFNGORMFIPPZ-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90614;MM90614;N#CC#CC(=O)C(=O)CO;BMCOKTFGVVRIFN-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90615;MM90615;CCC(C)(CF)CNC;PYMAXLWCDRLWHI-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15487;MM15487;C=CC#CC(=C)C(=O)NC;CKRQBCSSNRSBSW-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90616;MM90616;C=C(C#CC=O)C(=O)NC;ZYEMVYUZMIBJNE-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90617;MM90617;C=C(C#CC#N)C(=O)NC;PFJLGQYRVVZCEH-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90618;MM90618;CNC(C)C(C)C(C)O;YRGCTKXBRJTUCD-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90619;MM90619;C=CC#CC(=C)C(=O)NO;HPISZZVVJIAWBV-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90620;MM90620;C=CC(C)(CN)CNC;WYKBUSDLIVTNEW-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90621;MM90621;C=CC(N)CC(N)CC;LMCLPFOUEWQMLD-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90622;MM90622;C=CC#CC(=O)C(N)=NO;KVECJOHBOVDLDB-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90623;MM90623;NC(=NO)C(=O)C#CC=O;WZKNCRXWPJGLOV-UHFFFAOYSA-N;140.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90624;MM90624;N#CC#CC(=O)C(N)=NO;MWQAFUKNHVCXFH-UHFFFAOYSA-N;137.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90625;MM90625;C=CC#CC(=O)C(=O)NC;FCLNEADOPBIHAD-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90626;MM90626;CNC(=O)C(=O)C#CC=O;GMGYOMHCVPIBBG-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90627;MM90627;CNC(=O)C(=O)C#CC#N;GOOPMBFBAXBFEM-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90628;MM90628;N#CC#CC(=O)C(=O)NO;UXFNCKZARAIESU-UHFFFAOYSA-N;138.08;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90629;MM90629;C=C(C#CC=O)C(=O)OC;ZPVLPHXGNVQZDT-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90630;MM90630;C=CC#CC(=O)C(=O)OC;DOOMKJYXFZLZDS-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90631;MM90631;C#CC#CC(=O)C(=O)CO;VXOSVQVEIXTNRA-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90632;MM90632;COC(=O)CC(C)CN;XMTSNVMIKXQAPW-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90633;MM90633;C#CC#CC(=O)C(N)=NO;JWPLGXHYDMDCQG-UHFFFAOYSA-N;136.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90634;MM90634;C#CC#CC(=O)C(=O)NC;HGKQAVDFJAUHQK-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90635;MM90635;C#CC#CC(=O)C(=O)NO;XTXUIDMOVWWGLA-UHFFFAOYSA-N;137.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90636;MM90636;C=C(C#CCO)C(=O)C=O;BELUDWXSOICBPM-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90637;MM90637;C=C(C#CCO)C(=O)C#N;CJLMQTNUSUCEIW-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90638;MM90638;C=C(C=O)C(=O)C#CCO;LXJSVTGFWIJWND-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90639;MM90639;C=CC(=O)C(=O)C#CCO;DSDDPEGGHBHDFR-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90640;MM90640;N#CC(=O)C(=O)C#CCF;MBWSIVOYLLSKAN-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90641;MM90641;C=CC#CC(=C)C(=O)C=O;KYJHLVLBHRWTHU-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90642;MM90642;C=CC#CC(=O)C(=O)C#N;ZNEMGFORCHLXOL-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90643;MM90643;C#CC(=O)C(=C)C#CCO;VZYFHDMMSBJCEU-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90644;MM90644;C#CC(=O)C(=O)C#CCO;FTUTUYQBVPJZJH-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90645;MM90645;C#CC(=C)C(=O)C#CC=O;NJESTBOAYDAEBX-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90646;MM90646;C=C(CC(=N)NN)OC;OGVGYEUFYNFCKP-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90647;MM90647;C=CCNCCC(C)N;PBQLMBLGKKYFCC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90648;MM90648;CNCC(N)CCCF;NRPXRWYKKLREES-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90649;MM90649;CC(=CF)C(O)C#CCO;RCQGYVCCZRKWBD-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90650;MM90650;CC=C(F)C(O)C#CCO;PNGQWQAKDMQKLS-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90651;MM90651;C=CN(N=C)C(=N)C(C)=O;MFWDAXUNRDUADF-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90652;MM90652;CC(=NO)C(C)C#CCO;AOBGJAURWTZJOO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90653;MM90653;CCC(CO)C(C)NC;SBGPDLBRDTZRFX-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90654;MM90654;CC(O)CC(C)(N)CCF;CUFKABMRPFYCKQ-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90655;MM90655;C=CC#CC(O)C(C)=NO;WRDXXFMWWHEEGW-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90656;MM90656;CC(=NO)C(F)C#CC=O;GZNBLRIHDYFGTK-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90657;MM90657;C#CC#CC(O)C(C)=NN;NKFPGPMPKIVKFW-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90658;MM90658;C#CC#CC(O)C(C)=NO;NFXZKUMGAYJDNE-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90659;MM90659;C#CC=NNCCC#N;KASGOCAJKSOEHV-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90660;MM90660;C=C(C#CCO)C(C)=NO;RRASUCVSJWXNBP-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90661;MM90661;CC(=CN)C(=O)C#CC=O;CENDHRMBNQORHF-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90662;MM90662;C=CC#CC(=O)C(C)=NO;SULGUGJXJUOKRK-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90663;MM90663;C=C(CCNC)OC=O;CTKVCVBKLLMIIU-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90664;MM90664;C#CCC(C#N)=CN;OGVGOYCTKKYXGV-UHFFFAOYSA-N;106.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90665;MM90665;C=CCCC(=N)NC=N;BZZZLWQUFYPJKO-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90666;MM90666;CC(=CCCF)C(O)CO;UNSKXERCZUSQKB-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90667;MM90667;CNCCCC(C)O;GABQQRQJSZXOTR-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90668;MM90668;C=CC#CC(=C)NC=N;OVHSLTXRDDZEOP-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90669;MM90669;C=C(F)C(C)C(C)CN;GWMIDLRXPNPWKD-UHFFFAOYSA-N;131.19;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90670;MM90670;C=C(F)C(C)C(C)NC;GJBPESMBZRJXQE-UHFFFAOYSA-N;131.19;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90671;MM90671;CC(C)N(C)CCCN;BYMMQCFMKZXWCN-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90672;MM90672;C=C(F)C(N)CCCN;ZETMQYPKVZUYJK-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90673;MM90673;CCOC=C(C)C(O)CO;YAYWZHIOMFSTIB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90674;MM90674;C=C(C)C(=N)NCC#N;AYVJNDAAOSHXGC-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90675;MM90675;C=NNCC(F)(C#N)C=O;YFSILXCKOHCULC-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90676;MM90676;COC(=O)CCCCN;ULBCJDXDVAJYNI-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90677;MM90677;CC(C)C(CN)C(C)C;YZMPGOSLRRXMSC-UHFFFAOYSA-N;129.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90678;MM90678;CC(=N)NC(=CF)CCO;RNVLGFPYBFENMM-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90679;MM90679;C=C(C)C(NC)C(C)C;GYOSEJRLGQAAJX-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90680;MM90680;C=CC(CF)C(C)CN;IPSFBMGHWIZBRU-UHFFFAOYSA-N;131.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90681;MM90681;NCCCC(CF)CF;LQCYDCXDUWSIOO-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90682;MM90682;COC(C)C(F)=CNC=O;HAQULSUYOTYBOK-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90683;MM90683;CNC(CCO)CCCF;CZNAOLLJFVAURD-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90684;MM90684;CON=CCC(O)C#N;AGQUTQNCLWLDMO-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90685;MM90685;CNCCCCO;DBKSSENEKWOVKL-UHFFFAOYSA-N;103.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90686;MM90686;CCC(O)C(C)=NNC=O;NJVGUOZGKYBIFC-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90687;MM90687;CNCCCC(C)NC=O;USNQEAXBBGZHDG-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90688;MM90688;C=NNCCCCCN;QXFDRFPCSZDILA-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90689;MM90689;NCCCCCOC=O;JJGBSCVBYBTKFJ-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90690;MM90690;CCC(O)C(O)C=NOC;OGRIEBAZBWPRBA-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90691;MM90691;C=CC(C=CC)NNC=O;KKPOMUZZYCASRN-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90692;MM90692;CCC(O)C(COC)=NN;VSEVBUDZTXGHET-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90693;MM90693;CON(C)C(C)=NNC=O;ZEJRKXFJNRQOKI-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90694;MM90694;C=CC(=CC(C)(C)N)CN;IQPDPGYCIQDJEC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90695;MM90695;C=C(C)C(N)C(C)(C)NC;MAWMWHUABLGPPE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90696;MM90696;C=CC(C)(CC(C)N)NC;OTTFNFFPJMCEPJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90697;MM90697;CNCCC(F)C(C)(C)N;IAYMJIDHEBUQTF-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90698;MM90698;CC(=CCCF)C(O)C=O;CTXVZCVLBRNQFN-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90699;MM90699;CNCC(CN)C(C)(C)F;XSOZCTTTYNGPBB-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90700;MM90700;CC(C)(CCN)C(F)CN;CSVUGYBUMRYDQQ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90701;MM90701;CNCC(C)(C)C(N)CF;ABGYRSKUKKAMEI-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90702;MM90702;CCOCC(=NN)C(C)O;WHTQPIRQZKTMRS-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90703;MM90703;CCNN=C(C)C(O)C#N;IXGSZACVZHAMOL-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90704;MM90704;CCON=C(C)C(O)C#N;FHHOBSHDZUUKQG-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90705;MM90705;C=CC(=C)C(C)(N)CNC;KRFMZHRVDRYBKA-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90706;MM90706;CNC=NC(C)(C)COC;XBRZZFCTAXWQLO-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90707;MM90707;CCC(C)(N)C(F)CCN;DTRYIZRGKVDNLV-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90708;MM90708;CCOC(C)C(CO)=NN;RZGLGJQOWLJESN-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90709;MM90709;CCC(N)CC(C)C(N)=O;RPHZCEPVHSDXJF-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90710;MM90710;C=NOC=NN=CCO;JOZDTPLEEOPWDO-UHFFFAOYSA-N;129.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90711;MM90711;COCC=NOCCO;JLLVSMJWRZWWIZ-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90712;MM90712;C=NN(CC)C(=O)NCC;DRKJZZZQQWFINX-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90713;MM90713;CCON=C(C)N(C)C=O;BRVRSZQEGWDYMF-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90714;MM90714;C#CC(C)(C)N(C)NC=N;WZGXOBLEKNNCEU-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90715;MM90715;C=C(C)N=C(N)CC(C)=O;URFWUAYCZKQCQY-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90716;MM90716;CC(=CCC#N)C(O)C=O;SYKVSOHKZIBDPT-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90717;MM90717;CC(=CCC=O)C(O)C#N;KBTROZABZOEWKL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90718;MM90718;N#CC(O)C(F)=CCC=O;UETAVOOVTMRAQQ-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90719;MM90719;N#CCC=C(F)C(O)C#N;NDPJZJROCLZSII-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90720;MM90720;C=CC(O)C(C)=CNC=O;CYVPYYPQMPAXRT-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90721;MM90721;CC(C#N)C(F)=CNC=O;WVXSZJFMLXCSNR-UHFFFAOYSA-N;142.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90722;MM90722;CC(=NNC=O)C(C)C#N;WTDJPEHXXKEYGQ-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90723;MM90723;CC=NNC(=N)NCC;RSTNDZVDOCGBLO-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90724;MM90724;C=CC(O)C(C)=NOC=O;RSDCFRNCMGPZAN-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90725;MM90725;C#CCC(C)(CCN)NC;MFXYLOPDEHKGDD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90726;MM90726;CC(=CCC#N)N(C)C=O;WGCNQAVSQQCSRX-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90727;MM90727;CNC(=N)NN=C(C)C;PSWZNJUYOFQLJH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90728;MM90728;C=NN(CC(C)C)C(N)=O;GCAIHJXYSYKLBF-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90729;MM90729;C=CCC(N)(C=C)CNC;CWQGEKOFYBXMMD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90730;MM90730;CNCC(C)(C=CF)CN;WLNYBIVLKSVNSU-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90731;MM90731;C=COC=C(C)N(O)C=O;RYYANGUFKNRLJR-UHFFFAOYSA-N;143.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90732;MM90732;CN(C=NC=N)C(=N)NN;OHLSLNZMFYKKHE-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90733;MM90733;N#CCCC=NOCC=O;MBMTVIAEBOXMSR-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90734;MM90734;CC(C#N)=CN(C)CC=O;RDXDTWFYWBUXHI-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90735;MM90735;C=NN=C(NC)ON=C;AAJOVUSMXOSBPO-UHFFFAOYSA-N;128.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90736;MM90736;CC=CNC(=NN)NN;IUHIQLPZXPLYBC-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90737;MM90737;C=NNC(C#N)CC#N;APTIUWWFMJZRMZ-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90738;MM90738;CCONC(=N)C#N;WFLMMGVHIUVQFC-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90739;MM90739;CC=CCNC(=NN)NN;VERKVBDAMISLJZ-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90740;MM90740;C=NN(C)C(C)=NNC=O;NSKKPYDOWRJRQA-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90741;MM90741;CC(=NOC=O)N(C)C=O;NWBJHELMMAEHOO-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90742;MM90742;C#CC(C)(C(=N)N)C(=N)N;JBRSVSGHDLQOCW-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90743;MM90743;CON=CNC=NOC;YQEJDICVIIJJSK-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90744;MM90744;CNCC(N)CCC(C)F;XIUYPXKNFZGOBL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90745;MM90745;C#CC(=C)CC(N)CNC;PBUCPGVHICCLRY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90746;MM90746;C=NOC(=O)CC(C)CN;JUWNQDZJZMZYFZ-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90747;MM90747;C#CC=CNC(=NN)NC;LENQOAAGDLOUKX-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90748;MM90748;CN(CCF)CCCCN;HJQZZAXIBNOQID-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90749;MM90749;C#CCCNC(C)CCN;WRKTUDXOHCTJNN-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90750;MM90750;C=NNC=O;OUBYOHPZEVYQTG-UHFFFAOYSA-N;72.07;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90751;MM90751;CC(CCCCN)OC=O;HZSJQSSISBGUDK-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90752;MM90752;C#CCC(C)NCCCN;DXXBSHIOGOBZEX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90753;MM90753;CNN=CC#CC(O)CF;VECFEJLXRZSBGU-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90754;MM90754;CCOC(=O)CCCCN;YMYLIDVSLIIAPI-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90755;MM90755;C#CCC#CCNNC=O;IUXUVRIYUKZJOK-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90756;MM90756;C=C(CCCCN)OC=O;QPRJPPARAMAMNE-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90757;MM90757;C=CC(=O)CN(C=N)CC;IZNPKOGQTPADHK-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90758;MM90758;C=COC(=O)CCCCN;ZPLRMCMVTJQMQO-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90759;MM90759;CON=CC(C)(O)CCO;GZQOWXJKFBIHJT-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90760;MM90760;CCNC(=O)C#CC=NN;ATHAVAJMWSTKPK-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90761;MM90761;C=NOC(=NNC)N(C)O;SUISPALQEIRBQE-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90762;MM90762;C#CC(F)C(C)=NNC=O;YLUTZRYIQXXJKA-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90763;MM90763;C#CC(O)C(C)=NOC=O;HLOKUNMUJYPHGE-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90764;MM90764;CC(=CCCO)C(=O)CO;PTSLIRDSWPAXED-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90765;MM90765;CC(=CCCF)C(=O)CO;HZUFARBAMVNGSH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90766;MM90766;C=NOC(=O)CCCCN;RGOWFROOBOXLEF-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90767;MM90767;CCNC(=N)C#CCNC;RWSBPXFKMYRMGM-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90768;MM90768;C=C(F)CC(CO)=NNC;RWUISSACPPQKJY-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90769;MM90769;C#CC#CCONC(=N)N;IOESMTZFSOLJOR-UHFFFAOYSA-N;137.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90770;MM90770;COCC=C(C)C(=O)CO;QNNKAOOIUHVJAK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90771;MM90771;C#CCC(=O)C(=N)N(C)O;SQYJECZBLPSMAZ-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90772;MM90772;C=NOC=NOCCO;UWQNOVOVQPKVPS-UHFFFAOYSA-N;132.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90773;MM90773;NCCCCC(F)=CCF;ILYRSQKAEOQQKK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90774;MM90774;CCNCCC(F)C=NN;FQFOIWXRIPLFCQ-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90775;MM90775;CCOC=C(C)C(=O)CO;SIIWYJSSPGDSDU-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90776;MM90776;CCOC=C(C)C(=O)NO;LCBMJLQOFBWXDS-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90777;MM90777;C#CCC(C)C(N)CNC;MLDKXWGINLPHFI-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90778;MM90778;CCON=C(C)C(=O)CO;ABHIQVDHXXZSQF-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90779;MM90779;CNCC(C)C(N)=CC#N;HGKSVGUDPXJKIC-UHFFFAOYSA-N;139.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90780;MM90780;C#CC=CNC(=N)C(C)N;ZJPZFEFTDRCCTQ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90781;MM90781;CC(=CCC#N)C(=O)CO;MIRHDBCOMGORDL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90782;MM90782;N#CCC=C(F)C(=O)CO;WADBQHHPGNUFJX-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90783;MM90783;CNC(=CC(=N)NN)CF;DYWGPSLFXXGQIN-UHFFFAOYSA-N;146.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90784;MM90784;NN=COCCO;SLTQIIDLMPKFCZ-UHFFFAOYSA-N;104.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90785;MM90785;CC(=CCC#N)C(=O)NO;XCEYHTUCDGMPSN-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90786;MM90786;C#CC(N)(C#C)CCCN;XTPVLUOMZFZADN-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90787;MM90787;N#CC=C(N)CC=O;MRYWSSLSLJKETJ-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90788;MM90788;CNC(=O)C(F)=CCC#N;UUOLHZUGSRPPEK-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90789;MM90789;C#CC(C)CC(CN)NC;JLNDPTYENWUYQT-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90790;MM90790;N#CCC=NNCCC#N;YZRKAYBTVYVGMW-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90791;MM90791;C=C(C#CCC#N)NC=N;NRGBMQJJWAPJHZ-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90792;MM90792;C=CN(C=N)NCC(C)C;IZZMIMUNWDNAHD-UHFFFAOYSA-N;141.22;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90793;MM90793;CCN(C=NN)N=COC;XGCSPHLWMRARMV-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90794;MM90794;C#CC(C=C)CNC(C)C;QQQOISMHLSDJHB-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90795;MM90795;C=COC=C(C)C(=O)NO;XGENJUGXOSJYMQ-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90796;MM90796;C=CC(=C)N(O)C(=N)N;NTMMEZQPQNYSPD-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90797;MM90797;C=COC=C(F)C(=O)NC;YPMHLAIHJCIEBX-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90798;MM90798;CNC(CO)=NC=CCF;LYDSSGHNDCWYAK-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90799;MM90799;CCNC(=NOC=O)OC;XUZXNUSDYBMRNT-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90800;MM90800;COC(=O)C(C)=NOC=O;KAENPTGMZXUCHI-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90801;MM90801;C=CC(=O)C(C)=CCCF;DXOIDOXWUTYANC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90802;MM90802;C#CC(C)C(N)C(C)NC;OJMDCWHBLZOHPK-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90803;MM90803;CCN(C)N(C)C(C)=NC;NAWPAVDOWBPHID-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90804;MM90804;CC(CN)=C(F)C(C)CN;GDTILZZVWKIKEQ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90805;MM90805;CCNC=C(C)C(=O)C#N;ZGCLKALAMNFKQF-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90806;MM90806;C=C(CCNC)OCOC;OAGVVNWVNGUTHU-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90807;MM90807;CC(=CNC=O)C(=O)C=O;GYSZNWGDEGOFPW-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90808;MM90808;C=C(C=O)C(F)=CNC=O;HVAXRCKLYMXEFL-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90809;MM90809;COCCCOC(C)=NN;OJSVRBRHVINGMJ-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90810;MM90810;O=CNC=C(F)C(=O)C=O;UCGHDDHYBIZACI-UHFFFAOYSA-N;145.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90811;MM90811;N#CC(=O)C(F)=CNC=O;CATHKRYPPFEDNG-UHFFFAOYSA-N;142.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90812;MM90812;N#CCCONC(=N)C#N;AVXBZRCBOASOEA-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90813;MM90813;CNC(C)CC=CNC=O;MJEHZUWSGIZRPO-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90814;MM90814;C=C(C=O)C=NNCC#N;PDCASRYNXSDZQW-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90815;MM90815;CC(=NNC=O)C(=O)C#N;MAJMZHVVFQSZAS-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90816;MM90816;C#CCOC(=C)CCNC;QOWHGVZEMRWGDS-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90817;MM90817;CC=NNC(=CC#N)OC;OFABXISAGCSMRA-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90818;MM90818;C=CNC(=NC)N(C)O;VMMOBIRZDDDYPA-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90819;MM90819;C#CC(=O)C(F)=CNC=O;WAPJYAVFMOLKNW-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90820;MM90820;C#CC(=O)C(C)=NNC=O;FACHEDBPHLBUIY-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90821;MM90821;C#CCOC(C)=CNC=N;GWYAMZSKALHLPR-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90822;MM90822;C#CC(=CC#N)NN=C;ASBYNDNFAOQGKR-UHFFFAOYSA-N;119.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90823;MM90823;C=CC(N)C(F)CCCN;PDJQBLONURESEQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90824;MM90824;C=C(CCCN)C(N)CF;IVVQAOXIAUYXQT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90825;MM90825;C#CCNN=CC(O)C#C;PQNRTXZLKXVCBH-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90826;MM90826;CCN(N)C(=O)C(N)=O;WLKNKLVRNCBMNJ-UHFFFAOYSA-N;131.14;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90827;MM90827;CCN(N)C(C)=NC=NO;AMPHJQZQAMFTNL-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90828;MM90828;OCC#CCNN=CCF;FQBSHCKBXQDQBU-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90829;MM90829;CCN(O)C(C)=NC=NO;KUMXLKYOKJGQOT-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90830;MM90830;C#CC=NOC(C)(C)CO;UCIQCYRNFZDAFP-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90831;MM90831;CON(C)C(C)=NC=NO;BMSPYCWAJMDLLA-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90832;MM90832;CNN=C(C=CF)CO;IXEWQTSRRBEWJX-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90833;MM90833;CCC(=O)CC(N)=CC#N;GXEVSTGXHURZBD-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90834;MM90834;CC(=O)CC(N)=CC#N;XOJRKQMOMSROTN-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90835;MM90835;NN=C(CF)NO;YSFXUNGVTDPYRE-UHFFFAOYSA-N;107.09;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90836;MM90836;CC(N)(CCO)CCF;RWXVHFCMUJIOEA-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90837;MM90837;C=CN(C)C(C)=NC=NO;APRMKXQFEVRVNU-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90838;MM90838;CC(=NC=NO)N(C)C=N;OZMXHPZNBXXQSH-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90839;MM90839;CNCC(C)(C)CCO;QLRNIBZNLPIYJF-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90840;MM90840;C=CN(N)C(C)=NC=NO;VXNRZAFKSXOEHY-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90841;MM90841;CNC(=O)CC(C)C(C)N;LDMSWPARUFWQGE-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90842;MM90842;C=CN(O)C(C)=NC=NO;IWDPMMHAWJNWAA-UHFFFAOYSA-N;143.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90843;MM90843;C#CC(N)C(=C)CCCN;HWYSLYQZUWLVFI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90844;MM90844;CNCCC(C=O)CF;DLVLSMJMFNOSTC-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90845;MM90845;CNCCC(C=O)C(C)F;MFYROSAQYFQVRX-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90846;MM90846;CCC(N)CCC(N)=O;XTYPRAYIFIXHSU-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90847;MM90847;C=C(CON=CCO)OC;VNYSVSNMDIRRIJ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90848;MM90848;C#CC(C)NCCCNC;ITTJHRMJHSSSAV-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90849;MM90849;C#CC(F)C(N)=CC=NO;ZZPAQBYTJOKHMK-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90850;MM90850;C#CC(O)C(F)=CC=NO;SSVYBSFRHXIXCI-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90851;MM90851;N#CCNN=CCO;UVFGMVOAQYWHDK-UHFFFAOYSA-N;113.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90852;MM90852;COC(=O)CCCCCN;TZJVWRXHKAXSEA-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90853;MM90853;CNCCC(C=O)COC;YZQYIPNIVFHAIG-UHFFFAOYSA-N;145.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90854;MM90854;CNC(=NC=NN)NN;CMCIRDDSKPSRHC-UHFFFAOYSA-N;130.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90855;MM90855;C#CC#CC(=O)CNC=N;TWSMQEXQYIODAY-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90856;MM90856;CNC(=O)C(F)=CC=NO;WWKPSGRRNQIHSG-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90857;MM90857;NN=CC=C(F)C(=O)NN;AGXAISIEFPVNHU-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90858;MM90858;NCCC=CCC(N)CF;AGBHSMNSQHGPTO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90859;MM90859;CC=NN=C(C)C(=O)CO;IMZQBBVBSXJLML-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90860;MM90860;CNN(C)C(=N)NOC;HAHHGHYZCAKOMG-UHFFFAOYSA-N;132.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90861;MM90861;CC=NN=C(C)C(=O)NO;DIGCHRDNSCNUEG-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90862;MM90862;CC(=CC=NO)C(=O)C=O;PALBXSDOLIPZFH-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90863;MM90863;CNC(C)CC(F)C=NN;YLVKAGHMWBHGAE-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90864;MM90864;C#CC(=O)C(N)=CC=NO;JPKSPCSJPVIWER-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90865;MM90865;NCCCC=CC(N)CF;VWYNQRIBYATXJW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90866;MM90866;C#CC(N)C=CCCCN;XYUXEKFPZTYEIE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90867;MM90867;COCC(CF)C(C)CN;VVQWKRFEHMAEQL-UHFFFAOYSA-N;149.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90868;MM90868;O=CC#CCNN=CCO;GHICETHGRIEUMD-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90869;MM90869;CCNN=C(C)C(C)=NO;LBNSYCCBLNJZLX-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90870;MM90870;CNC(CCF)C(C)CF;GDXABHXMMSXEET-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90871;MM90871;CC(=NO)C(N)=CC=NO;NZKBIKFEUCNVCK-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01898;MM01898;CC=NN=C(C)C(C)=NO;UPZXBMOZSMBOMS-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90872;MM90872;CC(CN)C(C=CF)CF;ZLQBQACYNVPQFE-UHFFFAOYSA-N;149.18;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90873;MM90873;C#CC(CO)C(C)=NOC;MJQQJRDBCFHFHE-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90874;MM90874;CC=COC(CN)CCN;SOTFZZLHEWJDRR-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90875;MM90875;CN(N)C(=N)CC(=N)NN;WNAVTHZUYMQVLY-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90876;MM90876;CC=C(CCNC)OC=O;JHZPXGGTLAQKRE-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90877;MM90877;C#CC(N)=C(C#C)C(=N)N;RELPXWUXSHIACN-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90878;MM90878;CNCCC(=CC#N)OC;DPFXOYOPMYVXHC-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90879;MM90879;C=CC(N)C(CC)C(C)N;LFQHFEMHWDPPJO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90880;MM90880;C#CC(C=NO)CCCN;YKKQMCOUCZDFJV-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90881;MM90881;C#CC(C=CCN)C(C)N;MBXKJVJTTLINNU-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90882;MM90882;COC(CCCCN)OC;QFHXMRXYGMDDIK-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90883;MM90883;C=CCOC=NNCCO;YEUMELQZRMPMQV-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90884;MM90884;NCCCCC(=CF)CF;HONRBSDBBLNPBH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90885;MM90885;C=CC(=CF)CCCCN;SRBOVJKNDMPCCB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90886;MM90886;C=CCNNC(C=C)=NC;JSSGMRUFGJHEKY-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90887;MM90887;C=CC(C=CCCN)NC;BDAXUAHGCVYHBD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90888;MM90888;N#CC=CNCCO;WFHWFXOYXOBETN-UHFFFAOYSA-N;112.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90889;MM90889;CC(OCCO)=C(F)CO;HBVAIOBBPLGJGQ-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90890;MM90890;CC=NNCCCCCN;JEFCOJQBENXMAY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90891;MM90891;CC(CCC=O)=C(F)CO;IEPUOYZEZLZILY-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90892;MM90892;N#CCCC(F)=C(F)CO;VOSYEMSGPCIEBX-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90893;MM90893;NCC1CC1;IGSKHXTUVXSOMB-UHFFFAOYSA-N;71.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90894;MM90894;CNC(C)CCF;YFYNFVYBRNWTCE-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90895;MM90895;CC(CO)=C(C)OCC=O;VZOADAQLFWQAOK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90896;MM90896;CC(OCC=O)=C(F)CO;PSFGDPSCJISDPF-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90897;MM90897;CC(OCC#N)=C(F)CO;KKFQUAVYOGIENI-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90898;MM90898;C#CCOC(C)=C(F)CO;VNXCHHBGFUVAQG-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90899;MM90899;CC(C=O)=C(N)CCCF;SBNBTKJUFRCMIW-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90900;MM90900;CC(C=O)=C(F)CCCO;NALHQFNHHRCSHB-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90901;MM90901;C=CCC(C)CN;VWHLBDDPVAKXDL-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90902;MM90902;COCCC(N)=C(F)C=O;FAUGYOJGWBRCRA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90903;MM90903;CC(C)C(C)CN;GBMSZXWHMSSBGP-UHFFFAOYSA-N;101.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90904;MM90904;C#CCC(=O)C(N)=NNC;AVTATWTWIBKIDV-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90905;MM90905;C#CC(=O)C(O)CN=CN;LVTXJNZEAQIGMC-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90906;MM90906;CC(C=O)=C(C)OCCO;ICBHJUHOUHRGJK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90907;MM90907;CC(OCCO)=C(F)C#N;GFINSRDZUYPZFQ-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90908;MM90908;NC(OCCO)=C(F)C=O;XOMNFPFRDRAPNZ-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90909;MM90909;C#CC(C#N)=C(N)NN=C;DMBQAIAICLWPBR-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90910;MM90910;NC(OCCF)=C(F)C=O;FPHAIECTBLFPIT-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90911;MM90911;COCOC(N)=C(F)C=O;BWOOCIWAJGDLHR-UHFFFAOYSA-N;149.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90912;MM90912;CCN(C)C(C)C;UTLDDSNRFHWERZ-UHFFFAOYSA-N;101.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90913;MM90913;CC(C=O)=C(N)CCC=O;SHULWZBFUQPVRJ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90914;MM90914;CCC(CC)CN;MGWAGIQQTULHGU-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90915;MM90915;N#CCCC(N)=C(F)C=O;FLQQOKGUJJVOSZ-UHFFFAOYSA-N;142.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90916;MM90916;CCNCCCF;ZVBFCLIDOSUHQS-UHFFFAOYSA-N;105.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90917;MM90917;C=CC(C)=C(F)CCC=O;XDQBNLWUUVLHKI-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90918;MM90918;C=CC(C=O)C(N)=CC#N;VPCCZNONUDENCE-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90919;MM90919;N#CC(F)=C(N)CNC=O;QJPRAPWVSNLZTO-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90920;MM90920;CC(CN)CC(F)F;PGFRUHINHDONNY-UHFFFAOYSA-N;123.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90921;MM90921;C=C(F)CC(C)CN;MPLPUNSDRORTJZ-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90922;MM90922;C#CC(=O)N=C(NC)OC;YGXHQWZLFHBSNW-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90923;MM90923;C=NNC(=NN)OC=O;XQBGVKQIADPEJK-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90924;MM90924;CCNCCC(C)F;JHAHBYPBLULOLT-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90925;MM90925;C=CCC(N)CNC;ZHNDELHHXSKLRO-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90926;MM90926;CC(CN)C(C)CF;ZAWQCQGLLBLKLD-UHFFFAOYSA-N;119.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90927;MM90927;CC(NCC=O)=C(F)C=O;BNYLJYCMLNAQPJ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90928;MM90928;CC(NCC#N)=C(F)C=O;OQELCMXODCKZRF-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90929;MM90929;CC(N)CC(C)N(C)C;GTEYLCBPKVEEJL-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90930;MM90930;C=CCNC(N)=C(F)C=O;FUPCZAABIDJPKW-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90931;MM90931;CNC(=O)N=C(NC)NC;NDMIZORWSKCWIM-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90932;MM90932;CC(C=O)=C(C)OCC#N;HBLWBPOXYMEGTC-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90933;MM90933;CC(C#N)=C(C)OCC#N;PTZARLUYMYVAKL-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90934;MM90934;CC(OCC#N)=C(F)C=O;DUBLWTRIDNDUCG-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90935;MM90935;CC(C=O)=C(N)OCC#N;JWEWUDKCZCQHDY-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90936;MM90936;C=C(C)CC(N)CNC;BUTILLHRLRDPDJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90937;MM90937;N#CCOC(N)=C(F)C=O;MNYUODITLGPLMM-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90938;MM90938;C=C(C)CN(O)C(=N)N;RXDCTDLKJDWHKV-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90939;MM90939;CNC(C)CC(F)CF;NVNXGVGRTCVJPH-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90940;MM90940;COC(C)=CN(C)C=N;KLQIYZCEOVPSTG-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90941;MM90941;C#CCOC(N)=C(C)C=O;MUTDCIDKZMYNRG-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90942;MM90942;C#CCOC(N)=C(F)C=O;IHHSQDJEWQAWBL-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90943;MM90943;CCN(C)CCC(C)N;UDHPIYXPNQMTGF-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90944;MM90944;CC(N)C#CCCCN;JJHBVWXKOWUFTN-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90945;MM90945;C#CC(F)=C(C)OCCO;XYBZNJVZXAMPRE-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90946;MM90946;C#CC(=O)C#CCNN=C;UKOWJFQDQHDOEA-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90947;MM90947;C=NN=C(NC)OCC#N;JSVOXDWKOXIFGJ-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90948;MM90948;CC(OC=NO)=C(F)CO;NCRKLGXXHNTWQP-UHFFFAOYSA-N;149.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90949;MM90949;CN(CCO)C(=N)NO;OXOQJTBVQYBGLJ-UHFFFAOYSA-N;133.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90950;MM90950;C=CCNC(=NC)N(C)O;AVIXLDTUOATLIV-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90951;MM90951;COCCONC(=N)C#N;UPYKZJPRORHBCA-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90952;MM90952;C=CCN=C(NC)N(C)O;AVIXLDTUOATLIV-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90953;MM90953;CNCC(N)CC=CF;BEOVFXYTHYDWTE-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90954;MM90954;CC=CNC(=NC)NO;PLYDPTNUZKKNCO-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90955;MM90955;CC(F)C(C)C(C)CN;LVQPSNJIVKVZRP-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90956;MM90956;C=CC(N)C(C)C(C)N;MZHIAWMNBJTUQH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90957;MM90957;C#CCNC(C#N)=NC=C;ZMJQAORVNOHHGZ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90958;MM90958;CCC(C)C(N)CNC;BVWYEZKLWPQVQX-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90959;MM90959;C#CC(F)(C#N)CNN=C;PYHCCHCTPXMEEG-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90960;MM90960;C=NN(C=CC)C(=O)NN;GUXOYEUYQHLPCX-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90961;MM90961;CC=NN(C)C(=N)NC;AVXYKSZMDKQVDG-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90962;MM90962;C=NN=CC(F)=C(N)CO;VIYVMPQQYVPFMN-UHFFFAOYSA-N;145.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90963;MM90963;CCCON=CC(O)CO;FLOLNSWUNCPZBG-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90964;MM90964;C#CCC(O)C=NOCC;ATSWMRXZCCLVBD-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90965;MM90965;CNC(C)C(C)C(C)(C)O;IDSDQFXITCGKGX-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90966;MM90966;CCC(C(C)O)C(C)NC;QKLNURRQYBJHTK-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90967;MM90967;C#CC(C(=N)N)C(=N)N;LUCOXZZRDOJSIT-UHFFFAOYSA-N;124.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90968;MM90968;NCCNCCCCF;LYBOWGFYOHSVCM-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90969;MM90969;C#CC=NNCC(F)C=O;YDPXOBYINXWTTB-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90970;MM90970;C=NN=C(CO)NCC=O;RKWJRULMECJXGR-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90971;MM90971;C=CC(CCNC)C(C)O;OCCLSOTYEVYKRI-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90972;MM90972;CC(=CF)C(CO)=NN;PXUMSKRDZONHEJ-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90973;MM90973;COCC(CO)C(C)(C)N;YHTKNUFLXSGKLS-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90974;MM90974;CNCC#CCCCN;UZEVPUHDTWDXTA-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90975;MM90975;CC(CO)=C(F)C#CCO;UCQFRNFCADXDQR-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90976;MM90976;C=C(F)C(C)(N)CCCN;RWWJHJGOYZNSLX-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90977;MM90977;CNC(C)C(CO)C(C)C;RRGHRAQAHJORKU-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90978;MM90978;OCC#CC(F)=C(F)CO;ANXJQXLKSYAGRE-UHFFFAOYSA-N;148.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90979;MM90979;CC(C#CC=O)=C(F)CO;NKCZCTOBWFAUHJ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90980;MM90980;NC(C#CCO)=C(F)C=O;VOQJFAHQGDPNDH-UHFFFAOYSA-N;143.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90981;MM90981;N#CC(F)=C(N)C#CCO;GDYDLGMXMDRCTO-UHFFFAOYSA-N;140.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90982;MM90982;CC(C#N)=C(C)C#CC#N;PWHLTOYHDTUVSL-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90983;MM90983;CC(C=O)=C(N)C#CC=O;ZZCRAUWGDJAIIS-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90984;MM90984;NC(C#CC=O)=C(F)C=O;HYAVKFCTWHNCRA-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90985;MM90985;C=CC(N)(CNC)C(C)C;PAGOXEGMYKBHOM-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90986;MM90986;C=C(C)C(N)(CC)CNC;KLEGVGSPXDRTAF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90987;MM90987;C=C(C)C(N)CC(N)CC;OTYXRAOYSWRBIP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90988;MM90988;CNCC(C)COC(=N)N;GXVGJVFREQYMOJ-UHFFFAOYSA-N;145.21;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90989;MM90989;CNCC(N)CC=C(C)F;USXBGJPFZPXSIE-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90990;MM90990;C=C(C)C(CO)CCNC;AERYWGCLZMFCAO-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90991;MM90991;COCCCCC(O)CO;VADJWBMEMQUMKV-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90992;MM90992;CC(CN)CC=NN(C)C;WZTGXZBJTLEUPM-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90993;MM90993;CCOCCCC(O)CO;UYDSUKJFDHLOIQ-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90994;MM90994;CC(CCN)CC(F)CN;KYFAUZZRQNPIIX-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90995;MM90995;C=C(CC)CC(N)CNC;UWQWZWFSELQDHC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90996;MM90996;C=CC(=C)CC(N)CNC;AVQBAJMIQQNLAW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90997;MM90997;NN=C(C=CF)CO;AVVAYWFDNSRMEO-UHFFFAOYSA-N;118.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90998;MM90998;CNCC(N)CC(C)=CF;QHCKYWBIZVPZDT-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM90999;MM90999;C=CC(N)C=C(C)CCN;JTKAUYDLKNEXFK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91000;MM91000;CC(CO)CCOCCO;IZQKPFOFQXMTJA-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91001;MM91001;CCC(O)CCOCCO;DOJYNHQGTIGYAD-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91002;MM91002;CCCOCCC(O)CO;VSWVJVNTOYZZNE-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91003;MM91003;CNCC(N)CC=COC;ZDMXAANZWLFGCD-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91004;MM91004;NCCC=CC(N)C=CF;RMGLNLNWXKWRBN-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91005;MM91005;C=NOC(=NNC)NO;VOGKGDURIQNSEO-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91006;MM91006;CNCC(N)C(C)CCF;MZEODGYXZPDSRQ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91007;MM91007;CNCC(F)C(C)CCN;CFKIFZRJXKEGIQ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91008;MM91008;C=CC(CO)CCNC;PQPSIMUQHNAKPY-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91009;MM91009;C=CCC(C)C(N)CNC;UJCJDXVVKAIJPQ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91010;MM91010;CC(C=CCCN)N(C)C;NEXJRENPIDOPGF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91011;MM91011;CNCC(N)C(C)C(C)C;GKYROWGSGIPVDL-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91012;MM91012;C=CC(N)(CF)CCCN;BJWHVOJGLRVBOQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91013;MM91013;CC(O)C(N)=CC#N;TXSPCJQSXMKUNF-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91014;MM91014;C#CC(N)(C=C)CCCN;VGDPNYCIDOGTHI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91015;MM91015;C=CC(CC(N)CC)NC;PMNGCTWVMKEEIV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91016;MM91016;CCC(O)COCCCO;HVLNCHJZJCUJGG-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91017;MM91017;N=CNC=COC=CCO;JKOPMWBNLWXZJZ-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91018;MM91018;N#CC=C(N)OCC(N)=O;NVMBIECOKKPCMG-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91019;MM91019;CCC(O)COCCOC;DDVVHCUAYLSHIH-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91020;MM91020;C=CC(=NC)NNC(C)C;CSOWFHLDROBVRQ-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91021;MM91021;COC(C)COCCCO;ZHSXIOAXIJOKHK-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91022;MM91022;CCOCC(N)CCNC;IHOWBRCMAPERNZ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91023;MM91023;C=CC(CO)NN=COC;NNDUUGNXNPONDJ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91024;MM91024;COCCCOC(C)CO;ZJGSPTDGQSUTHD-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91025;MM91025;CC(CC=CF)NCCN;PBVUVLCLUUIUBP-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91026;MM91026;C#CC#CC(N)CCCN;CKOMZOYSADDQGV-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91027;MM91027;CC(=CNC=N)OCCF;GIBNLQMBLPNXJS-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91028;MM91028;C#CC(N)CC=CCCN;CDRAMKQXYXRJNT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91029;MM91029;N#CCCCCC(O)CO;YHNIOXXJIQVOAG-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91030;MM91030;C=C(C#CCCCN)CN;VXBXZTKPAMUGHG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91031;MM91031;C#CC(C#CC(=N)N)CO;LFBOAUKZKUVKNV-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91032;MM91032;C=CC(CNC)C(=C)C=O;JDGPMKIHELIFRX-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91033;MM91033;C#CC(=N)NC(C)CCO;XXYAEYMMANEQDN-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91034;MM91034;CNCCC(C)(C)NC=O;HMYWTVBMZMUWCD-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91035;MM91035;COC=NN(C)CC(C)O;OVBPAKAEAIRCPN-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91036;MM91036;CON=C(C#N)N=CNO;ANGWAQVCTITZOJ-UHFFFAOYSA-N;142.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91037;MM91037;CN(C=N)C(=CF)NC=N;FDZFRJWZDDIOON-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91038;MM91038;C=C(C#N)C=NNCCO;UGFNMYGUPURCQV-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91039;MM91039;C#CC(=COC)C(=N)NC;YNTRMCJPESOXKI-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91040;MM91040;NCC(CCF)CCCF;XPIFOSHGPFMRPE-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91041;MM91041;CC=NOC(CCO)=NN;BMYTXVOULXDFKV-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91042;MM91042;C=C(F)C(CN)C(N)CC;QIJDREUQZPLSHX-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91043;MM91043;CC(CO)COCCC#N;BTZMPICPYQWRQB-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91044;MM91044;C#CC(C=C)C(C)NCC;ONGXQHOFWMWAIU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91045;MM91045;C=COCOCC(O)CO;FENHDXQIJLTYQE-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91046;MM91046;CC(C#N)ON=CCCO;FSEQAMFADYJERG-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91047;MM91047;C#CC(C#CC(=N)N)CF;HCFZAHLZASVVRE-UHFFFAOYSA-N;138.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91048;MM91048;CC=C(CN)C(F)CCN;ZSDDNFSPKOKFJS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91049;MM91049;NCCNCCCCCF;PAJKKJPZZHAYGY-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91050;MM91050;COC(C)COCCC#N;HVXUIRXXHLUMCL-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91051;MM91051;C=CCCCCNCCN;ZSMPOUPKZFHPAK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91052;MM91052;CON=COC=CNC=N;VYRNWOCSHRQYBB-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91053;MM91053;CCC(C)CN;VJROPLWGFCORRM-UHFFFAOYSA-N;87.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91054;MM91054;CCNC1CC1;ULEZWUGQDAQWPT-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91055;MM91055;CC(CF)OCOCC#N;HZURPKBSXYRCCH-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91056;MM91056;COC(C)OCOCC#N;JHYCSBVGPFWXOY-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91057;MM91057;CNC(C)(C)CN;UWYSRQHOWXXYMN-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91058;MM91058;CC(CN)CCF;DCXJZVOIFVWSNI-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91059;MM91059;C#CCOCCC(O)CF;IIFZRHOYUFYLJL-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91060;MM91060;C=CN(C=N)NC;XLOULWARJHEGRW-UHFFFAOYSA-N;99.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91061;MM91061;CCCNCCN;CFNHVUGPXZUTRR-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91062;MM91062;CCC(CCNC)NC=O;CUUFTXFOOMQDDT-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91063;MM91063;CC(F)CC(C)CN;SUVQTNYYSHBDRH-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91064;MM91064;CC(C#N)CCOCCO;PHOCDMAJPMCMJW-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91065;MM91065;CNC(C)CC(C)F;UHKAESWRFKANPB-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91066;MM91066;CNCC(N)C(C)C;LMBYDKQMLXSAQC-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91067;MM91067;C#CC(C)C(C)NC;MOCOHLMOXBXXAT-UHFFFAOYSA-N;111.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91068;MM91068;N#CC(=CN)CCC=O;ULFWRJBLVYCXDC-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91069;MM91069;CC(CN)CCCF;QZSNRSQZSSLLMX-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91070;MM91070;C=CN(C=C)C(=NN)NN;YGMOJIMEYMDIFH-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91071;MM91071;CC(C#N)COCCCO;KWOBXEGTMZJOAR-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91072;MM91072;C=CC(O)COCOCC;HOWAVYVAUWWYRU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91073;MM91073;CCOCOCC(O)C#N;SMYIHZZVQRCTRL-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91074;MM91074;C=CC(=N)NCC#N;JEWVWRJJKDULQR-UHFFFAOYSA-N;109.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91075;MM91075;C#CC=NNC(C#C)C=O;KEJXCXFHECEEQL-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91076;MM91076;CCCC(CN)NC;YYUUOEQXJGQPIS-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91077;MM91077;CC(=CC(C)(C)N)CN;ZTYCWPYALVVAQO-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91078;MM91078;CC(C#N)OCCCCO;UVDSVNJNUREATR-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91079;MM91079;COCCCOC(C)C#N;XUJVYWHXEHQVDL-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91080;MM91080;CC(C#N)OCOCCO;OZITWLBLPZVAOI-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91081;MM91081;CC(C)(N)C#CC(=N)N;MVMHQJLOGQHCHQ-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91082;MM91082;CNCC(C)(C)C=NN;CPYXSKYLAWCRBE-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91083;MM91083;CNCC(F)CCCN;SXKULYJZFCESBO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91084;MM91084;CCCOCCN(O)C=O;YIYQVIYMFMBMLT-UHFFFAOYSA-N;147.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91085;MM91085;COCCCON(C)C=O;YKMPZWTTYJUZJU-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91086;MM91086;C=CCC(C)NCCN;NDHIYGAFDDIHJG-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91087;MM91087;CCOCCON(C)C=O;WGPRQURSDVNHNG-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91088;MM91088;CNN=C(C#N)N(C)C;CMUXUOOSHFMBCE-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91089;MM91089;C=NN=CNNC=CC=O;SWGMTEURFSRHJL-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91090;MM91090;C#CCC(C=O)CCNC;NAEHIMSLPZONNF-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91091;MM91091;N#CCOCCC(O)C#N;RGKMGOBLMHADFH-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91092;MM91092;N#CCOCCC(F)C#N;DCCVISFRXMHFQB-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91093;MM91093;C#CC(C#N)(CF)NN=C;SQEXWFONCNSOAF-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91094;MM91094;CNCCC(C)C=O;XDKBAFXOTRNCLB-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91095;MM91095;C=NNC(C#N)(C=O)CF;KECCSHYUGJFKDD-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91096;MM91096;C#CC=NNC(C#C)C#C;NTJZZOAOFUOUQR-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91097;MM91097;CC(C=O)COCCC#N;NQWXLJHTJJXEJZ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91098;MM91098;CC(C#N)COCCC=O;XVLVYBFDXKQUOW-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91099;MM91099;CC(C#N)COCCC#N;SEAZIKLHWGMBIL-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91100;MM91100;C=CC(O)COCCC#N;ZTHMDSLOHORDKD-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91101;MM91101;C=CCCOCC(O)C#N;JXFAASXGJYLIKM-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91102;MM91102;N#CCCOCC(O)C#N;OOFZICQDMZKZHX-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91103;MM91103;N#CCCOCC(F)C#N;RAHJTGWCKNXSPC-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91104;MM91104;C=COCOCC(O)C=C;UGSBPSIXYDAHDG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91105;MM91105;C=COCOCC(O)C#N;BSIZULDYFYUSGZ-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91106;MM91106;CCOC(C)=CNC=N;JXFVJZRCGZBNHR-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91107;MM91107;C=NNC(=N)NC(C)(C)C;PCCCPJQTNCCHLD-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91108;MM91108;C=NOCOCC(O)C#N;WXVCLNVZKNESJC-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91109;MM91109;C#CC(C=O)NCC#N;CLYSLMGCOWOIEI-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91110;MM91110;CC#CC(=N)N(N)C(=N)N;WVUVGJPWIRNSSQ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91111;MM91111;CC=C(C)NC(=NN)NN;UNAOKSPOXBLJAX-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91112;MM91112;CC(C(=N)N)=C(F)CF;ZJWWCORRXOXQKW-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91113;MM91113;CC(C=O)OCCCC#N;FZVBEEGXEHRFPE-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91114;MM91114;CC(F)=C(C)NC(=N)C#N;YCRBDCGLZBPFSH-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91115;MM91115;C=NNCCC(C)CN;HCAKKXMSYWVGGD-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91116;MM91116;CC(C#N)OCCNC=O;OMYIFUMLNWNXGK-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91117;MM91117;C=CCCNC(C)CN;KGUXKMAKNFZMNP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91118;MM91118;CC(C=O)OCOCC=O;HGRVEAGRXPREKJ-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91119;MM91119;CC(C=O)OCOCC#N;WJIPSHKMLUTBFG-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91120;MM91120;CC(C#N)OCOCC=O;IDCJISSGWWHJHN-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91121;MM91121;CC(C#N)OCOCC#N;CAIBOFZMBUVCAK-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91122;MM91122;CC(C#N)OCONC=O;DXGNUGDXPRCZBM-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91123;MM91123;N#CCCCCN(O)C=O;WCYXSGHMPRMICF-UHFFFAOYSA-N;142.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91124;MM91124;C=NN(C=CC)C(=N)NC;UUFLRNOEWUELAR-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91125;MM91125;C=CC(N)CNCCC;NCOZIDKFCOXLJW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91126;MM91126;C=CC(N)C=CCCN;UJRCTKOLYXMCOX-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91127;MM91127;C=CC(N)C(=C)CCN;IFRIEBRAAUUATN-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91128;MM91128;C=CCC(CN)NCC;BKRGHCGUWHERAR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91129;MM91129;CNCC(=CF)CCN;VPTYKPQDEIVFSR-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91130;MM91130;C#CC(CC)C(C)NC;XZKJJGZOSBGKCT-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91131;MM91131;CNC(CF)CCCN;ZPVUNUKZLXSIBV-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91132;MM91132;CN(C=O)OCCCC#N;YTZGLQYJBXOMNC-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91133;MM91133;C=COCCON(C)C=O;FHURUEYJUMUURD-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91134;MM91134;CN(C=O)OCOCC#N;DAOXSVBKRGEMMO-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91135;MM91135;NCC#CCCCCN;JLGVVONDOAUSCR-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91136;MM91136;C=CC(C)(N)CC(=C)CN;ANUJLJYCDYWIKZ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91137;MM91137;C#CCOCOC(C)C=O;LELIFUVWLCHSGI-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91138;MM91138;C#CCOCOC(C)C#N;OUYKCIQYWZYOPO-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91139;MM91139;CCC(C)(N)C#CC(=N)N;JZHYIZUVWIAZSK-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91140;MM91140;C#CCOCCN(O)C=O;MNGHSPTVEXLFSB-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91141;MM91141;CC(C)(C#N)C#CC(=N)N;GDPMJQYSWPPSFG-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91142;MM91142;C#CC(CNC)C(C)(C)N;YMFSKCKIRHYZJJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91143;MM91143;C#CCOCON(C)C=O;KQXSPUGQGOZATO-UHFFFAOYSA-N;143.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91144;MM91144;C=C(C)CC(C)NCCN;HFSIFBICAXDFHV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91145;MM91145;C=C(CCCN)CN(C)C;ISFLGGBEZPCVLO-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91146;MM91146;CC(F)(CN)CCCCN;OHRHVDMIUIEPGD-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91147;MM91147;CCN=CNC(C)(C)CN;WPEAIOFFMGOKAS-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91148;MM91148;C=C(C)C(C)(CN)CNC;HRFGPJKYYWMOPX-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91149;MM91149;CC(C)C(N)CCN(C)C;DHKCTLKHZKQBEY-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91150;MM91150;C#CC(O)COCCCO;CVFVRVKXZZCDEW-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91151;MM91151;C=C(C)CCNC(C)CN;OAPZLHNIMLPPLL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91152;MM91152;C#CC(O)COCOCC;QMICHBAGSRHYFF-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91153;MM91153;C=C(CCN)CN(C)CC;VMEZSMONCGHODH-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91154;MM91154;CC=C(F)CC(N)CCN;JOJMJMBIYHEGLY-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91155;MM91155;C=C(C)CC(CN)NCC;XKHIKSFRNKOIRN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91156;MM91156;C=CN(N=C)C(=O)NN;XPLCWMYFEMHFAZ-UHFFFAOYSA-N;128.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91157;MM91157;C=C(CCN)C(N)C=CC;UVTIVJZWZZCIDP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91158;MM91158;C#CC(O)COCOC=C;VGUFEOLPPZFNFP-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91159;MM91159;C#CC(O)COCOC=O;NRWIZQSRDANDGT-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91160;MM91160;CC=NN(C)C(=N)NCC;YSALDALXNLUXRW-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91161;MM91161;C#CC(C)OCOCC=O;VXPNOTUFCWYLAH-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91162;MM91162;C#CC(C)OCOCC#N;CCRRSLYCGIBGMH-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91163;MM91163;CNCC(C)C(F)=CCN;WPYBWWZZTZPMGB-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91164;MM91164;C#CCOCCC(O)C#C;XDCLWHIOEGBDFG-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91165;MM91165;C=C(C)C(C)C(N)CNC;CXRRUQJBJAVCEO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91166;MM91166;C#CCCOCC(O)C#C;HRIPWEQIAKQLSA-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91167;MM91167;C=C(C)C(N)C(=C)CCN;MKCQHTXZUZSVGF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91168;MM91168;CCC(F)(CN)CCCN;FDJSAZLJBCLLME-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91169;MM91169;N#CC=C(N)NC(=O)C=O;MQNIFNFOODWVMW-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91170;MM91170;CCC(CC)(CNC)NC;UDIDFHUQPJUOHB-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91171;MM91171;C=CC(CC)(CN)CNC;PQDPYQPTUOOCPX-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91172;MM91172;CNC(CN)CC(C)CF;HKDDCQSFNVSUIO-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91173;MM91173;C#CC(CC(C)NC)NC;BTHZYRHIQBYOSR-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91174;MM91174;C#CC(=CC(C)CN)CN;NWIAAQJDNBPLSA-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91175;MM91175;C=CC#CC(N)CCCN;AFUFOIMAKKDHPX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91176;MM91176;NCCCCCC(F)CN;CTHNECAQRISXBK-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91177;MM91177;CNCCC(C)C(C)=O;YSJINNCRQGGQPI-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91178;MM91178;C#CC(=C)OC=CNC=N;UOLCFNFPROCXNO-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91179;MM91179;C=CC(CCN)C(N)CF;URQUFDVRYDOIPR-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91180;MM91180;CCC(=O)CCOCCO;NEVMEARJYMAVIP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91181;MM91181;CCCOCCC(=O)CO;BSHOWIKZRVQNRD-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91182;MM91182;C#CC(CCF)C(C)NC;VVCZTCOBSSOFSA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91183;MM91183;CN=C(NC=N)N(C)C=N;ROKHESKNPROKKA-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91184;MM91184;CNCCC(C=CF)NC;KLLSLDXHRYGSHO-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91185;MM91185;C#CC(CCCN)N(C)C;CJYJCEVEJFRWRL-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91186;MM91186;C=C(CC(C)NC)C(C)=O;IEXNBZDDGCCWTC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91187;MM91187;C=NOCONC(=N)N;LLIPWBYZKXORFG-UHFFFAOYSA-N;132.12;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91188;MM91188;CNC(CN)CCCOC;NIPXWWOHQBUILM-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91189;MM91189;C=C(CO)COCOCC;HXXAPUXYRTUNCF-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91190;MM91190;CCOCOCC(=O)CO;SLXNGQYGVFISSJ-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91191;MM91191;C#CC(=O)C(C#C)ON=C;HDHBRCZKCSGEGN-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91192;MM91192;CCCCOCC(=O)NO;FDXCWJITHIIXJG-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91193;MM91193;C#CCCCC(CN)NC;XDAIPLWXNSYTMF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91194;MM91194;CCOCOCC(=O)NC;JZYLZNBOHLJWCD-UHFFFAOYSA-N;147.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91195;MM91195;C=C(CC)N(O)C(=N)C=O;CGLGOFLCRGOAIC-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91196;MM91196;C=C(COCOCC)OC;XHYBHANIXAXERI-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91197;MM91197;CC(C)=CN(O)C(=N)C=O;OLGPSABLEIUBPM-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91198;MM91198;C=CC(CC)C(N)CNC;HBIPUHKUHWKANI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91199;MM91199;CCC(O)C(N)=CC#N;LYVWBXDXQVDFMJ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91200;MM91200;CNCC=COCCCN;YJDMNLKBKGPJFC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91201;MM91201;CCON=C(CC)CO;FWAYBXVCWJMNKE-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91202;MM91202;CCCCNNC(=O)NO;QKWMOOOJOFUONM-UHFFFAOYSA-N;147.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91203;MM91203;CCON=C(C)CO;JUEZHHNFKIFJNP-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91204;MM91204;C#CCCON=CCO;YAILXZJGNHNCBQ-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91205;MM91205;C=C(C)C(=CN)C(=N)NN;HXIXGMUUTNGKSA-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91206;MM91206;C=CNC=NCC=CCN;QPTJFHCQYGDHIE-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91207;MM91207;CC(C)CN;KDSNLYIMUZNERS-UHFFFAOYSA-N;73.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91208;MM91208;CNC1CC1C;RHJITQJBHCWZLJ-UHFFFAOYSA-N;85.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91209;MM91209;CN(C)C(C)(C)C;OXQMIXBVXHWDPX-UHFFFAOYSA-N;101.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91210;MM91210;C=C(CO)OCCCOC;YSBVAKTYMDDQRZ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91211;MM91211;CCC(CN)NC;WGGUQGISLBWZHZ-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91212;MM91212;CC(C)(N)C=CCN;PPBOVNGJONFPLH-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91213;MM91213;CNC(=N)C#CCF;UMUQEFFLEUITSW-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91214;MM91214;CNCC(C)(C)N(C)C;WWBYIFXSSNNBBW-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91215;MM91215;CCOCCOC(=O)NC;RRJVYHOFCHQHGB-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91216;MM91216;CC#CC(N)CCCN;NBXHVIRAJFVSGP-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91217;MM91217;COCCCOC(=O)OC;UFNREJPEUKLISQ-UHFFFAOYSA-N;148.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91218;MM91218;CC(N)C(F)CCCN;NRRKUMFSMVBILO-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91219;MM91219;COC(=O)OCOCCO;ZWCIFRAPWYKRRG-UHFFFAOYSA-N;150.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91220;MM91220;N#CCCCCC(=O)CO;HNZWGOZVDWUYNZ-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91221;MM91221;C=CC#CC(=N)N(C)C;KHDIBRJSAVFXQV-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91222;MM91222;C=COCCCC(=O)CO;VEIPMVQHYJWFBM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91223;MM91223;C=CC(C(=N)NN)=C(C)N;LYHWAEXTIWJZLY-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91224;MM91224;CCNCCC(F)CN;VSSWRWIRDWCCSD-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91225;MM91225;C=NN(C(=O)NC)C(C)C;ODCSUSYHYYSJES-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91226;MM91226;CNCC(CF)CNC;ROSXZQJKTJYNSE-UHFFFAOYSA-N;134.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91227;MM91227;COC=NNCCCC=O;PDRZILBVEAEEHT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91228;MM91228;CNN=CCC(=N)N(C)N;KNMQJQSPEZCRJX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91229;MM91229;C#CC(C)(N)CC(C)NC;AAUUKSFRZFQZEG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91230;MM91230;C=C(CO)CCOCC#N;IRYIDGRVYWLTLN-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91231;MM91231;N#CCOCCC(=O)CO;IHVNMWZOTGMWFW-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91232;MM91232;N#CCOCCC(=O)CF;IMGLRFHJEFXFID-UHFFFAOYSA-N;145.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91233;MM91233;CNCC(C)(F)CCCN;JKTXMNMQARGJHV-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91234;MM91234;CCNCC(C)(N)C=CF;SQECLOGQOMXIET-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91235;MM91235;CC(N)C(C)(F)CCCN;HCSPIZDHWPCLQE-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91236;MM91236;C=CCOCCC(=O)NC;MIWDNGBOSAJBKC-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91237;MM91237;COC(=O)CCOCC#N;REAGWCROCANMPW-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91238;MM91238;C=C(C)CNCCC(C)N;WDYGQXDIMAJQGK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91239;MM91239;C#CC(C)(N)CCNCC;JVTFOMRVIPTLAG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91240;MM91240;CNCCC(C=CF)=NO;LQHGZIVBSOPQKC-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91241;MM91241;C=C(CO)COCCC#N;HSECEYGOASZBRQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91242;MM91242;CC(=CC(F)CCN)CN;AGJSXPUEFAXRCY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91243;MM91243;CNC(=N)N(C)N=C(C)C;KZGXJYJWUHOQIW-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91244;MM91244;CCNCCC(F)CNC;WNKYQXRHZATRRU-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91245;MM91245;CNC(=O)COCCC#N;CPBNXZZCAGAWIJ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91246;MM91246;CC(CCN)CNCCF;LPQCSOVZYCYBLZ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91247;MM91247;C=NOC(=NN)NOC;PRUKDEXUQNYLAW-UHFFFAOYSA-N;132.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91248;MM91248;CC#CC(C)N(C)NC=N;KWTVYCXHVLXIGK-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91249;MM91249;C=CCCCNC(=O)CO;NOGPFGKPUSCIQW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91250;MM91250;C#CC(=C)N(C=NN)N=C;PRCWJSMLEINART-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91251;MM91251;C=C(C)C(N)CNCCC;UVFYUDQWYABHLO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91252;MM91252;CNC(=O)NCCCC#N;KOCNFWHRILTVTR-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91253;MM91253;C=C(CCN)C(C)N(C)C;MCNVYLAZICMROH-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91254;MM91254;CC(F)=C(CC#N)C(=N)N;RCTNNHZJVZHLOD-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91255;MM91255;CCC(CN)CC(F)CN;YMSKTCULYVDXPY-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91256;MM91256;CN=C(CC=NO)NN;YHHXVERKHNSADZ-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91257;MM91257;CNC(=O)NNCCC#N;KPHZHSVSHMYBFE-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91258;MM91258;C#CC(=NO)NNC(C)=N;UBTRDBDYCZUEBK-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91259;MM91259;COC(C)COC(C)=NN;XADYWYUUCNMDHZ-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91260;MM91260;CCC(=O)NOCCC=O;OJHVNUVLZBGXEV-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91261;MM91261;CCC(=O)NOCCC#N;PVQMXNUDTLXLOP-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91262;MM91262;CCC(O)C#CC(=N)NC;MDNJMJZAEHFLFO-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91263;MM91263;CNC(=N)C#CC(C)O;YJXFJZWCNGHPPF-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91264;MM91264;CC(=CC(CN)CF)CN;UURYCIAHSAGLBY-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91265;MM91265;C=C(CO)OCCCC#N;QBYKVAMNEJODMM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91266;MM91266;C=CC(N)C(=C)C(C)CN;GIZDKWVQUIJMPG-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91267;MM91267;N#CCCCOC(=O)CO;NOJCRJZRESBOGK-UHFFFAOYSA-N;143.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91268;MM91268;CCC(=O)OCCNC=O;DTEBSVVIANFJRC-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91269;MM91269;CC(CCCN)NCCF;DFNWPXZXUATWIL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91270;MM91270;CNCC=C(F)CCCN;VPTXDFNPUSUHAB-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91271;MM91271;C=CC(F)C(N)CCCN;YYJQFYZWBPIJIW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91272;MM91272;CC#CC(C=O)NCC#N;MYAGUHKZPIHJLJ-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91273;MM91273;COC(=O)OCCCC#N;MNYSULOMXIFCPK-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91274;MM91274;CCN(N)C(=N)C=CCF;WITRMHYYZXKJTF-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91275;MM91275;C=C(C#CCN)N(C)C=N;XGGFILBGQHMRQD-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91276;MM91276;NCCCCCC(N)CF;UOQUEBSUCLYCSM-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91277;MM91277;C#CC(C)CNCCCN;ZNPRJBSKFRZDRW-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91278;MM91278;N#CC=CC=NNCC#N;HBTQPOZSBBOMGN-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91279;MM91279;N#CCOCOC(=O)NO;BCZMILAJUHEZSH-UHFFFAOYSA-N;146.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91280;MM91280;COC(=O)OCOCC#N;ZTIRHWXKIRXFMK-UHFFFAOYSA-N;145.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91281;MM91281;CNCCC#CC(C)CN;UFKRFWZJIAZNQW-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91282;MM91282;C=CC(O)C(C)C(C)NC;LZMPEQJIBFMZMI-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91283;MM91283;CNC(C)C(=CF)CCN;CMWBQDKIENQHLK-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91284;MM91284;C=CN(C)C(CNC)=NC;KHDALTQTLVXTNY-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91285;MM91285;C#CC(=CC#N)C(=N)NC;LTQWDMMDADDCOV-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91286;MM91286;C#CCOCCC(=O)OC;HVWXWOSAFYWVRF-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91287;MM91287;CCNC(CF)CCCN;DNHQKXNKGFDPCE-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91288;MM91288;C#CC(CCNC)ON=C;NAARVZYKCHCDLP-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91289;MM91289;CCNCC(=CF)CCN;QYVIQMPQUWWWDC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91290;MM91290;C=CC#CCNNC=O;GTBLPRWPNLWPHM-UHFFFAOYSA-N;124.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91291;MM91291;C#CCCCNC(=O)OC;VEVFCSUVRFKHKM-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91292;MM91292;C=CC=NNC(C#N)C#N;ZQCJNLZYWRCPMH-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91293;MM91293;C#CC(=C)C(CN)C(C)N;FCKKDOKYJCLMGH-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91294;MM91294;CCNCC(CN)C(C)F;AZTDSTHRHZXNEU-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91295;MM91295;NCCCCCNCCF;CIEBNRJZQPBXDY-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91296;MM91296;CC=CNC=NCCNC;GQZPEUHVLIRGFX-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91297;MM91297;C=CC(=O)CCOCOC;HMNZCOPTOLMXPL-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91298;MM91298;CNC1(C)CC1;KYTQSTIMXRWCDS-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91299;MM91299;CC(C)(N)C(C)(C)N;CGCVLTOGUMLHNP-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91300;MM91300;C#CC(=N)N(C)C=C;ZCXLYEAYDDKHBR-UHFFFAOYSA-N;108.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91301;MM91301;N#CC(=CN)C=C(F)CO;AMLGPWSXIGROBJ-UHFFFAOYSA-N;142.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91302;MM91302;C=CC(C)(N)CC(C)N;FXMLIFQEAAHRBN-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91303;MM91303;C#CCC(C)(N)CCN;YWJBUOSGOUJBRU-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91304;MM91304;C=C(C#N)COCCCO;RAUUUHDCZRSIKW-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91305;MM91305;C=CC(C)(N)CNCC;FXVFVKDSQJIQRJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91306;MM91306;C=CCC(C)(CN)NC;QIGSKSFIYCHDRT-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91307;MM91307;C=C(C#N)COCCOC;XRIPJBCYEUEMOI-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91308;MM91308;C=CC(=O)COCCOC;JKYJINMJUOCKGD-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91309;MM91309;COCCOCC(=O)C#N;IOESDSHBYVWWSP-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91310;MM91310;CCOCOCC(=O)C#N;QLJCRNLUBZIBFS-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91311;MM91311;CCNCC(N)CCF;YYADANPYZQILMB-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91312;MM91312;CC(=O)N=C(CO)N(C)C;VFFCJOBVSVLJMG-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91313;MM91313;CN(C=N)C(=N)C(=N)N;FPLGQCOMBVJONG-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91314;MM91314;CCOCCNC(=O)C#N;RTKBXYVMNQSVBX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91315;MM91315;CCCCNNC(=O)C=O;ODLOIKFIRBXPNI-UHFFFAOYSA-N;144.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91316;MM91316;C#CC(CO)=C(C)NC=N;USJLYWQXJMMFRV-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91317;MM91317;C=C(C#N)OCCCCO;CFHXCAWFHNHNDI-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91318;MM91318;CC(F)C(N)CCCN;IXCOALVTVCWFIJ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91319;MM91319;N#CC(=O)OCCCCO;RVOQLASRVCJOAR-UHFFFAOYSA-N;143.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91320;MM91320;C=NNCCC(C)NC;OKEUYGFFJJIHCV-UHFFFAOYSA-N;129.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91321;MM91321;COCCCOC(=O)C=O;IRCYDNAIDREIBT-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91322;MM91322;C#CC(N)CCCCN;YFOMRDJVGRHJNX-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91323;MM91323;N#CC(=O)OCOCCO;JJHWOFNOKPTCRJ-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91324;MM91324;N#CC(=O)OCOCCF;YKWUFBJRDQAEFK-UHFFFAOYSA-N;147.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91325;MM91325;C=C(C#N)OCOCOC;IRXFIOVGHFGXSS-UHFFFAOYSA-N;143.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91326;MM91326;C=C(C)NC(=NC)N(C)O;GOCCWQWLGFDZFK-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91327;MM91327;CC(F)(C=NN)C(N)=O;AOBPSWKWDUPLTE-UHFFFAOYSA-N;133.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91328;MM91328;CN(N)C(=N)NC(=N)NO;JKNSJFHYTFJRJX-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91329;MM91329;C=CCOCCC(=O)C#N;UGQZXTMWRBJBTJ-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91330;MM91330;N#CC(=O)CCOCC=O;CTNYBFOGAXXXKJ-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91331;MM91331;N#CCOCCC(=O)C#N;IYFTXMPLSGYGRC-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91332;MM91332;C=CCCOCC(=O)C=O;FOYQGXNTWKVLQB-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91333;MM91333;N#CCCOCC(=O)C#N;BBVRNWUXEIPMDT-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91334;MM91334;C=COCOCC(=O)C#N;NHIAYQANXFNOOV-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91335;MM91335;C=COC=CN(C)C=N;PNBZTXYOQHEKAB-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91336;MM91336;C=CC(=N)N(C)CC#N;SGVQELGJNZSLFK-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91337;MM91337;C=CCC(O)C(N)=CC#N;UVCNZZJDDFSSGO-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91338;MM91338;N#CCCCNC(=O)C#N;XNJIGCFXGJBNAU-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91339;MM91339;C=COC(=C)C(=N)NN;QSJIUXPSMUDYTP-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91340;MM91340;C=COCCNC(=O)C=O;HRNQDFPZHSSQEI-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91341;MM91341;C=COCCNC(=O)C#N;YVYJGOXQIMLRKV-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91342;MM91342;NCCCNCCCF;LUZDKYCTDZUGJU-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91343;MM91343;C=CCCCNCCN;RIIYMKHODCWFPA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91344;MM91344;CNCC(F)(F)CC(C)N;HBIVVJWYLSAQDP-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91345;MM91345;CNN=C(CO)C(C)=CF;XENRPJDSAXZSSO-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91346;MM91346;CC(N)CC(F)(F)C(C)N;BSTCJBNQRCIZOV-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91347;MM91347;C=COCONC(=O)C=C;OYWSBJSCZIKAEF-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91348;MM91348;C=C(C#N)OCCNC=O;LCZJAWNGGPWZCY-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91349;MM91349;CC(CN)=C(C)C(C)(C)N;HEOCDCHJQDUESL-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91350;MM91350;CCC(C)(N)C=C(C)CN;TUZUKLXWLSSJQR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91351;MM91351;C=C(C)CC(C)(CN)NC;PVRVZMBTVZBESR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91352;MM91352;C=C(C=O)OCOCC#N;PVIKBQNAXRBXRG-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91353;MM91353;C=CC(=O)OCOCC=O;LFEVGPUIIJEZEY-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91354;MM91354;C=CC(=O)OCOCC#N;HNPVAYBAIOBKCS-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91355;MM91355;C=CCOCOC(=O)C=O;RUOHCMAQRUGTLO-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91356;MM91356;N#CCOCOC(=O)C#N;GTYHNYYUJDVJGA-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91357;MM91357;C=CNC=NCC(C)(C)N;BJGWSLRCBFCHJF-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91358;MM91358;CCNCC(N)CC(C)F;KGOPEVNYSCZSFU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91359;MM91359;C#CCOCCC(=O)C=O;KASRYFSVOWZDIB-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91360;MM91360;C#CCOCCC(=O)C#N;CQGITVNJNYKQKC-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91361;MM91361;C=CC(N)CC(N)C(C)C;AYYTWRALOGZRRU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91362;MM91362;C=CC(=NN=CCO)NO;KHXLBIVRZAZTLJ-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91363;MM91363;C#CCCOCC(=O)C=O;WRHNPOWHOFTVAH-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91364;MM91364;C#CCCOCC(=O)C#N;UXLRKTPAVXODCZ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91365;MM91365;CNCC(F)CC(C)CN;XMMPWWANXMZBQW-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91366;MM91366;C#CCCCNC(=O)C=O;WJLNYZMGEOYRBA-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91367;MM91367;C#CCOCOC(=C)C=O;BAHIBAABIICOOV-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91368;MM91368;C=C(CN)CC(F)CCN;QWSIHKVKROLONV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91369;MM91369;CN(C)C(=N)NN=CCO;FXMMXSUEUPVEIL-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91370;MM91370;C=C(C)CCCNCCN;NGWJTOPWXFFNTB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91371;MM91371;NCC=CCC(F)CCN;BLTUXRCDTUYEPG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91372;MM91372;C=C(C)C(N)C(CC)NC;CNJOQNVHACSUIJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91373;MM91373;CNCC(COC)COC;XZVVAPXCTGEWSG-UHFFFAOYSA-N;147.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91374;MM91374;C#CC(=O)COCCOC;FCKJRCKANQKCDP-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91375;MM91375;C#CC(=O)NCCCOC;KKBFBOGUROATAX-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91376;MM91376;CNC(C)(CN)CC=CF;YQBRVIVXZYRHNY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91377;MM91377;CC(CN)CCC(F)CN;XNBPMZMJYILLNL-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91378;MM91378;C=CC(N)C=CC(C)CN;YADULIHYVQASQK-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91379;MM91379;C#CC(=C)OCOCCO;IPRUQPRIFXCCMG-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91380;MM91380;CCC(CN)CC(N)CF;SNBLIRMXRQUQEK-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91381;MM91381;C#CC(=O)OCOCCO;RQUNFTQFOOLUHN-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91382;MM91382;C#CC(=O)OCOCCF;XNSFFDRDKVQZRL-UHFFFAOYSA-N;146.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91383;MM91383;C#CC(=O)CCOCC#N;SCAYOFIAKYPRPN-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91384;MM91384;C#CC(=C)CCONC=O;SLGAJIQHIOVEHG-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91385;MM91385;C#CC(=O)COCCC#N;GYYNZIUJPFDRCR-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91386;MM91386;C#CC(=O)COCOC=C;CGEDRMCXDIORHC-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91387;MM91387;CNC(C)CC(CF)NC;HAXRTLZADNKOCO-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91388;MM91388;CCC(C=O)N=C(N)C#N;QGGAZUHRRNTUGX-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91389;MM91389;C=NN=CNNC=CC#N;CWSVTBKXWWRMFY-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91390;MM91390;C#CC(=O)NCCCC=O;CSKCBULBTMEKLJ-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91391;MM91391;C#CC(=O)NCCCC#N;IGRQYDRSMOMTAK-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91392;MM91392;C=NOC(C=NN)=NOC;PMXGHMNAOMCSJY-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91393;MM91393;C=CC(=O)C(C)N(C)C=N;VEMOHZHFLJARFS-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91394;MM91394;C#CC(=C)OCCNC=O;JBQXUCYRIFRCLL-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91395;MM91395;C#CC(=C)OCOCC#N;ZAKROSRGLLLDRB-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91396;MM91396;C#CC(=O)OCOCC#N;MNRXYHQCAISNFQ-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91397;MM91397;CCNCC(N)CCOC;RUIUFMCFGRRBEM-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91398;MM91398;CNCC(C=CF)CCO;BEWWOBDSHVUTFT-UHFFFAOYSA-N;147.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91399;MM91399;C#CCCNNC(=O)C#C;YYDLAYNVTSTLQP-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91400;MM91400;CCC(F)C(N)CCCN;NENDAINSGJPJRI-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91401;MM91401;C#CCOCOC(=O)C#C;BAXULUZZPJBLBD-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91402;MM91402;CCC(N)C(F)CCCN;KUNCSJMRUVSTHJ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91403;MM91403;CCOC(C#N)C=NNC;NNYLXADPAPTFNX-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91404;MM91404;C=CN=C(C=O)NCC#N;KLNBYDSUIMILJN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91405;MM91405;C#CC(N)C(C)CCCN;KYZPHJQUSALPLT-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91406;MM91406;C=CC(C)CCNCCN;OBESKMMXZWZQCT-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91407;MM91407;C=C(C#N)NC(=N)C=O;JVQNUNUCENZCJG-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91408;MM91408;CC(CF)ONC(=N)C#N;XDBAZQLMVOZMOL-UHFFFAOYSA-N;145.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91409;MM91409;CC(CO)CCOC=NO;CAHYFENWTACNSA-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91410;MM91410;C=CC(N)C(CCC)NC;OQGVPRHBKLQZJC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91411;MM91411;CCC#CC=NNCC#N;MNUNLGYEIHKZPY-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91412;MM91412;CCOC(C=O)C(=N)NC;HRMBWXCFMMSJOD-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91413;MM91413;CC(CNC=O)C(C)(C)N;CRCLXRZXDWRUKY-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91414;MM91414;CCC(C)(N)CCNC=O;DNPJMUZBKXQXGJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91415;MM91415;C#CC=CNC(=N)CC=O;UHGWEKLXYBTAMD-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91416;MM91416;CC(CO)COCC=NO;LJAGPVXXTFHTKR-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91417;MM91417;CC=C(CCNC)C(N)=O;DZOPRMPIAZKBCK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91418;MM91418;C=C(CN)C(C=CF)CN;WGOBFGURTGNKDL-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91419;MM91419;CNCC(=CF)C(C)CN;CDJPCARVZPTYIZ-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91420;MM91420;COC(C)COCC=NO;FNEVWGIEMNIYQC-UHFFFAOYSA-N;147.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91421;MM91421;CN=C(N)C(=CC=O)CF;MVBKJRGZPQFUAA-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91422;MM91422;CNCCC(COC)NC;ZFMZBLOHZILAIL-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91423;MM91423;CNCC(=CCCN)CF;KKRLDHQWHULCHM-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91424;MM91424;C=C(C)C(CN)C(=C)CN;GMCGLFZURUTRGN-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91425;MM91425;C=C(C#CCC=O)NC=N;GZFZTMJPZNKBFK-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91426;MM91426;C=CCC(C=O)N(C)C=N;UEALHMITZGKSPS-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91427;MM91427;CNC(CCCN)C(C)F;PUWUMKZUOOJGGF-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91428;MM91428;CNN=CN=CNC(=N)N;UITATEVHSLVNRI-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91429;MM91429;CNN(CC=CF)C(C)=N;VBKHMMKBPWBNKP-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91430;MM91430;CNN=CC(C#N)CC#N;UQDLJDJOXNKGJK-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91431;MM91431;C=CC(CN)C(=CC)CN;WIJMMYWOKJNWGF-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91432;MM91432;CNN=C(N)C(=O)CC#N;RRLWBTBZIBZIEB-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91433;MM91433;C=CC(CN)C(N)CCF;KGXKFYVHCLZFDQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91434;MM91434;CNN=CC#CC(F)CO;MZRNCUKEINAELK-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91435;MM91435;CC(C=O)OCCC=NO;NDGMCWIPBDGUJQ-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91436;MM91436;CC(C#N)OCCC=NO;OOTJFOPGNMCZPO-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91437;MM91437;CC(C#N)OCOC=NO;MGFPYBKHJFDXAO-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91438;MM91438;C#CCC(O)C(N)=CC#N;LTGZUHLQIQISBC-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91439;MM91439;CCNCCCNCC#N;VMYFFJXZMMMCOX-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91440;MM91440;CC(N)CC(F)F;AAOJRPSNKWSTFL-UHFFFAOYSA-N;109.12;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91441;MM91441;C=C(NC=N)C(F)F;LYCVWVPQNWFCFM-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91442;MM91442;C=COC=CNC=N;PWQBDXQEAOVCNU-UHFFFAOYSA-N;112.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91443;MM91443;C#CCC(N)CC(C)N;QHIFMUATKLMLSB-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91444;MM91444;CC=COCCN(O)C=O;QRHUSPPRJQNWLQ-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91445;MM91445;C=NN(C)CCOC=NO;HEMYFHYLANBGQB-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91446;MM91446;CN(C=O)OCCC=NO;NUUSJUZNQJAQSO-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91447;MM91447;CC=COCON(C)C=O;DJYIRKGXMFANNO-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91448;MM91448;CC(N)C=C(F)CCN;SRUURJRCLYINNM-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91449;MM91449;CCC(C)NN(C)C=N;IRNJPLHVBBWBKE-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91450;MM91450;C=C(NC(=NN)NN)OC;NXIAIEUEJZZYQJ-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91451;MM91451;C#CC(O)COCC=NO;BWXRGIFKDRNYON-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91452;MM91452;C=C(C)N=CNC(=N)NN;LGIOJOSWUZHEMH-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91453;MM91453;C=C(C=O)CC(C)NC;QHHGUXCDDBYZRA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91454;MM91454;CC(O)COC(N)=CC#N;ABXGNXRGJOUSBQ-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91455;MM91455;C#CC(C)OCOC=NO;JHKBQDZDBXMCRP-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91456;MM91456;C=C(C#CCN)NC=N;GXIREFKULVMWPZ-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91457;MM91457;N=CNC=C(C=O)NC=N;QWUXVWISDLFBJG-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91458;MM91458;CN=C(C=O)NO;HFQWBXBHFOXUAR-UHFFFAOYSA-N;102.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91459;MM91459;C=C(C=O)CCNCC;PRGJLYXVVXOWEU-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91460;MM91460;C=C(C=NO)CC(C)N;VXVKHQKVJYBEEU-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91461;MM91461;N#CC=C(N)OCCO;VEXIDEGGXKCVLA-UHFFFAOYSA-N;128.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91462;MM91462;CCN(C)N=COCCO;IGGQQZDBBUCUAO-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91463;MM91463;C#CC(=N)NCCC#N;GMKJYNWUVONEKQ-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91464;MM91464;CC=CCNN(C)C=N;NQVRKVBQGVGQSC-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91465;MM91465;C=C(CO)CCOC=NO;HVCHNHNUUZPQFI-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91466;MM91466;CCC(=O)CCOC=NO;VLPANUHTXZNBKY-UHFFFAOYSA-N;145.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91467;MM91467;C#CC=NNCC(=O)CF;JJUCUBKQUVYFFV-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91468;MM91468;CC(C#N)C(=N)N(C)C;PCFDCDZUPUCKRP-UHFFFAOYSA-N;125.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91469;MM91469;C=C(C=O)C(=C)NC=N;USVWSDXTULOMOM-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91470;MM91470;CCN(CCO)N=COC;LKNVDIMLXPNWFV-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91471;MM91471;CC(F)=C(CN)CCN;GAWGJKKBFPMZKE-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91472;MM91472;COC(CCC(C)O)=NN;PJAAYYUBIYMYHZ-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91473;MM91473;CNC(=NC(N)=O)NC;IZRKJLYCWDGEBX-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91474;MM91474;C=CC(CN)C(=C)CN;SPIVGOGAZPMWJZ-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91475;MM91475;CNC(=O)NCCC=CF;IJPAOXJIDXHTPX-UHFFFAOYSA-N;146.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91476;MM91476;N=CNC=COC=CF;CSBFOWHZHQUPLJ-UHFFFAOYSA-N;130.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91477;MM91477;CNC(C)CC(C)(F)CN;NESFLFUIIYCMGN-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91478;MM91478;COC(CCCCO)=NN;WQSMPJMNCBYRBF-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91479;MM91479;C=C(C)C(C)(N)CNCC;VKDBVOGGDJPZFT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91480;MM91480;C=CC(C)N(O)C(=N)N;LMNRYFWQLHEQMO-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91481;MM91481;C=C(CO)OCOC=NO;JFCXQEMJXRIVHI-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91482;MM91482;O=C(CO)OCOC=NO;DSFNCELSRWLRES-UHFFFAOYSA-N;149.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91483;MM91483;CNC(C)CC(F)C(C)N;CPVSYYPNIIVZCN-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91484;MM91484;CC(C)C(C)NN(C)C=N;IFQYWOCGSKEPPG-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91485;MM91485;CC(C=NN)CNC(C)C;JWKJFOCYVVSHAL-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91486;MM91486;CC(C)(N)CC(F)CO;RXYINRRRUSXTEE-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91487;MM91487;CC=COCOC(=O)NO;FGSQEBYJWQPEDL-UHFFFAOYSA-N;147.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91488;MM91488;C=C(C#CC(C)N)NC=N;CNRNKHTTWXIDLO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91489;MM91489;C=NOC=NOC(C)C=O;RNZYBDWMBXNKBI-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91490;MM91490;C=CCN(O)C(=N)NC=C;SIVPFZHXTASMMU-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91491;MM91491;CC(CC#N)NN(C)C=N;DMVPSPRSPBITTP-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91492;MM91492;C#CCC(C)NN(C)C=N;CUQKPZJHYFFBJA-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91493;MM91493;C=C(C=O)CCOC=NO;FEOVQZGXPCUZMT-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91494;MM91494;C=CCN(O)C(=NC)NC;JIAJMFJKQDASRQ-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91495;MM91495;N#CCN(C=N)NC(=N)N;ZILZLSFTQAUFCM-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91496;MM91496;CCC#CCN(C)NC=N;PIKHTRGSGUATEK-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91497;MM91497;C=C(C=O)COCC=NO;HQVZSKNEUJIRMJ-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91498;MM91498;CCNCCC(O)C(C)N;FANGPCFHLAVJHI-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91499;MM91499;CC=CCNNC(=O)C=O;RJWHSSYUIKUGJZ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91500;MM91500;C=C(C#N)OCCC=NO;UBFILTPTZJJGLV-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91501;MM91501;N#CC(=O)OCCC=NO;ULNCIMMREABRBW-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91502;MM91502;C=C(C#N)OCOC=NO;PVHSPUAFLDONGG-UHFFFAOYSA-N;142.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91503;MM91503;CNCC=CC(F)CCN;HIDBAHPYJBNTMV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91504;MM91504;C=C(C#CCNC)NC=N;FLGAKKGSHBVTKU-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91505;MM91505;C=CC(NC)C(C)C(C)N;DIBOZLBRXQHFRZ-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91506;MM91506;CC(C=NN)C(=N)N(C)N;YSVDBKRHPONOCL-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91507;MM91507;C#CC(=C)OCOC=NO;BPUFLBRLSJRABW-UHFFFAOYSA-N;141.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91508;MM91508;C#CC(=O)OCOC=NO;GFANJGIFRYZOPV-UHFFFAOYSA-N;143.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91509;MM91509;CNC(CF)CC(C)CN;JUVKFVMHTFXGLN-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91510;MM91510;CNN=C(NO)NC(=N)N;HOPFZFANFGQWCG-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91511;MM91511;CC#CCOCC(O)C=O;QOKIYNHRPFCJOQ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91512;MM91512;C=CC(C)CC(CN)NC;VOBUZUJTLNTNSA-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91513;MM91513;C=CC(O)CC(C)(C)N;XZQJLQJOOBNJRZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91514;MM91514;CC#CC(C#N)NCC=O;SCIBRRKVRKEKFX-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91515;MM91515;CC#CCCNC(=O)CO;HELUTUANIJGWRH-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91516;MM91516;C=C(CN)CC(CN)CF;UIQGUVJENGEYSM-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91517;MM91517;CC#CCNNC(=O)CO;YLUXCUKHMXIYJN-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91518;MM91518;C=C(C)CCC(CN)NC;JDWJVFQXOSPTIU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91519;MM91519;C=C(C(C)O)C(C)CNC;MKKBKSCKZZBAIH-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91520;MM91520;CC#CCNNC(=O)NO;KSNSGWXRJOLDRI-UHFFFAOYSA-N;143.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91521;MM91521;CC#CCONC(=O)NN;LIIFTVBFZPQGNV-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91522;MM91522;C=CC(N)C(C)C(N)CC;BCRWFTHILSOFLW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91523;MM91523;C=C(CO)C(C)CNC;BFJVSFRJXLDEBS-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91524;MM91524;CC#CCNNC(=O)C#N;KGXGUGQYPGGQIC-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91525;MM91525;C#CC(=O)NNCC#CC;KFRIXXDOUVANKC-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91526;MM91526;C#CC(N)C(C)C(C)CN;DEGOANDBNDNAOO-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91527;MM91527;C#CC(CO)CC(C)NC;VIMBXQRAJGPQKV-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91528;MM91528;CCNN=C(C#N)N(C)C;GUJMRYIBNFHBMP-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91529;MM91529;CNCCC(C)N(C)C=O;GLASYVJAFZNLLR-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91530;MM91530;C#CCNN=CON=CC;BISXDELZJMLOMB-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91531;MM91531;CC(=O)C(C)N=C(N)C#N;GXUHPOYQWIWBOJ-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91532;MM91532;CNC(=NN=CC=O)OC;JOXDFCSCJDLCNE-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91533;MM91533;CC(C)=COC=NN;QGARGYQOHYDEPZ-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91534;MM91534;C=C(CN)C(F)CCNC;PLUYOZQUJCDOSW-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91535;MM91535;CN=CC=C(CC#N)NO;YVOHRHQMLNLGBF-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91536;MM91536;CCN(C)C(=N)C#CCN;VDEXPTSUPJJGGY-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91537;MM91537;C=C(CN)C(F)=CCCN;IJEIZQKFXQEYIB-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91538;MM91538;CC(C)OCOC=NN;OODVTRKLZPWHAX-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91539;MM91539;CC(CN)CCNCCF;BLVLXRLIDKLVAK-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91540;MM91540;CCCOCOC=NN;WFSWHQAYLHAYPV-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91541;MM91541;C#CCC(=O)CCCNC;JRTSSMQTFVJXBW-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91542;MM91542;CN(C=N)NCC=CC#N;WUKMSRDWQBYUJO-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91543;MM91543;COCOCCOC=NN;DHRGDSNHEHCUGT-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91544;MM91544;COCC(C)=NNCC#N;YCMHFGGTEKILQY-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91545;MM91545;C#CCC(NC)C(C)CN;SEPXZIIMCSDULZ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91546;MM91546;C=C(CN)C(C=CC)CN;QPWHJJVHLLFYRY-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91547;MM91547;C#CC(=CF)NC(=N)C=O;SDSSESDTTXGNTI-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91548;MM91548;C=C(CN)C(=CC)CCN;VPGIOTCEGFRUIM-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91549;MM91549;CCC(F)=C(CN)CCN;BXGWSVXYYVGWQH-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91550;MM91550;CNN=CC(C)(F)C=O;OKBJTFMCSQPVGZ-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91551;MM91551;CNCC(=CF)CCCN;KGHFJUZBUSGJOG-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91552;MM91552;NCC=CC(C=CF)CN;HRGVIAIPOUAVOZ-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91553;MM91553;C=CN(N=CC)C(=O)NN;PXCNJVHNXVYPQN-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91554;MM91554;C=CC(=C)C(CN)C(C)N;IZALGZCCOMQPBX-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91555;MM91555;N#CCOC(=CF)C(=N)N;PWFYOJMPDBOESU-UHFFFAOYSA-N;143.12;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91556;MM91556;C=C(C)C(C=CCN)CN;NAOWQTUKRDPDFR-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91557;MM91557;O=CC=CCCC(O)CO;ZBIQTYQLTALPFI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91558;MM91558;C=C(F)C(=CCCN)CN;GNCLTNDWSUEQBH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91559;MM91559;C=NNC(=N)C(=O)CC#N;KVVQXSNEEOOTFE-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91560;MM91560;C=CC(CNC)CC(C)O;VQYGVEMRGVXCHY-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91561;MM91561;NCC=CCC(CN)CF;MUIADJTZWPEOTC-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91562;MM91562;CCC(O)CNC=CC=O;MNUIQBIEJDHKSO-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91563;MM91563;CNCC=CC(CN)CF;KNJMMGHALWNJDP-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91564;MM91564;COC(C)CN=CNC=O;BHXHKZMVWUAFBC-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91565;MM91565;C=C(C#CCCO)NC=N;UHNKQNPCQSFYDY-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91566;MM91566;C=CC(CCO)CNC;NHQLVCGELXXMAU-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91567;MM91567;CCC(O)CNN=CC#N;USNIWNODGSEFJP-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91568;MM91568;CNCCCC=O;PJZBKCVVFPTFAW-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91569;MM91569;O=CC=COCC(O)CF;XGKYFHKXYIBCGP-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91570;MM91570;N#CC=COCC(F)CO;LTYYFDVJRDIHSQ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91571;MM91571;C=NN=COCC(O)CO;ZBEUNBCRLGJQDN-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91572;MM91572;CNC(=N)CC#N;IVAJYNQUSLCPEV-UHFFFAOYSA-N;97.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91573;MM91573;CC(CO)CON=CC#N;UQONMGQVSRNIFO-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91574;MM91574;NCCC=CC(=CF)CN;TUIIPFUGPMODKF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91575;MM91575;C=C(CCN)C(=CC)CN;HGSPPBDVWWXOJK-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02776;MM02776;COC(C)CON=CC#N;DNOAHPZJAMMNEM-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91576;MM91576;C=CC(CN)C(C)=CCN;COUDGUCNZQKKSB-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91577;MM91577;CNC(=N)C(C)C#N;GVAWOXKVRSDVLP-UHFFFAOYSA-N;111.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91578;MM91578;NN(C=O)C=C(F)CO;GMLJCYNJEPEYGK-UHFFFAOYSA-N;134.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91579;MM91579;N#CC=COC=CNC=N;MBBBDZSSMPQATH-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91580;MM91580;C#CC=COC=CNC=N;INJPWRPSLXUPHN-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91581;MM91581;CCNCC(C)N;RFWLRDUNLTZRIQ-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91582;MM91582;CNCCCC(=O)C#N;AKSWXRUIQJDSAB-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91583;MM91583;CN=C(NN)N(N)C=N;RCXILGLNEKQNDG-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91584;MM91584;CC(C)NN(C)C=N;WOVUWCLXCNYWIK-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91585;MM91585;C#CC=COCC(O)CO;MVIQUUDPNIBUIN-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91586;MM91586;CNN=CC(C)(F)C(N)=O;FUJGITIQWLHKPY-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91587;MM91587;CCC(CO)OC(C)=NN;HWNHFLVIGMAWQE-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91588;MM91588;CNN=CNC(=N)NN;FOBKICOYRWKYLC-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91589;MM91589;C#CC(=O)CCCNC;XHGFDGBCLHBYFY-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91590;MM91590;CC(C=O)COC=CCO;RTTWBWFRRGLVNM-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91591;MM91591;N#CC(O)COC=CCF;VDSZZARTERGIAQ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91592;MM91592;CCNCC(N)CC;LNSQCMZLXWAQBY-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91593;MM91593;COC=COCC(O)C#N;DOJGGJWFPRUIPK-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91594;MM91594;CC(=NOC=O)N(C)O;IZOXEFGQLWSHTO-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91595;MM91595;CNN=COCC(O)C#N;NHHHWSVNWJZPMM-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91596;MM91596;CNCCCC(C)=O;YOFYTIAEHLUATG-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91597;MM91597;CON=COCC(O)C#N;ICSLGCBUGTURMH-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91598;MM91598;C=NOC(=N)NN=CCO;WMMKDFIYFUVOGN-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91599;MM91599;C=CC(C)(N)C(C)NC;YZZATFYPZRCRGB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91600;MM91600;CC(N)(CF)CCCN;IWOSEPBDIBGUJZ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91601;MM91601;C#CC(N)CC(C)CN;NSQWTTMXYBQXIF-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91602;MM91602;CC(C#N)=CN(C)C=N;AKQHPNCPYCOJBQ-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91603;MM91603;CNCCC(N)C=CF;WQGJZNHBYKNUQL-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91604;MM91604;CC(C=O)OCC=CCO;PPZYJUJCGSWQTK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91605;MM91605;CC(C#N)OCC=CCO;GCVZSCHWMGUBNU-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91606;MM91606;C=C(C=CCN)CCN;AEVMGRGCBDHRSC-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91607;MM91607;CC(C)C(=N)N(C)C=N;ZSGPOMSQVWDKDO-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91608;MM91608;CNC(=N)N(C=N)C=N;DHEHQXSKZWAOEV-UHFFFAOYSA-N;127.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91609;MM91609;CC(F)C(CF)NC=N;WEYWAHHIKFYPKH-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91610;MM91610;CC(N)C(C=CF)CN;TWANWWWXHUTIRW-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91611;MM91611;COC=CCCN(O)C=O;HRQQUQJJDBHJMQ-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91612;MM91612;C=C(C)C(CN)C(C)N;GNQUGJUJTPTPEX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91613;MM91613;COC(C(=N)N)=C(C)F;OVHMMJSCPQWDHB-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91614;MM91614;CCC(N)C(CN)CF;AEENEQCSAKRLNI-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91615;MM91615;CNN=CCCN(O)C=O;GZWVVGPOCCBIBN-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91616;MM91616;C=CC(C=CCN)CN;WGHVKHGNCGPPGO-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91617;MM91617;C=CCNCCCNC;XRMSVFVELIQFCC-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91618;MM91618;COC=CCON(C)C=O;NKILSCONGKHWSU-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91619;MM91619;C=NN=CN(C)C(=N)N;KEHQMCAAXKVPEI-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91620;MM91620;CNC(=N)C(C)(C)C#N;SHYAEJIPVOZCLF-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91621;MM91621;N#CC=CCCC(O)C#N;GVKAZZUAIKTPGH-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91622;MM91622;C=CC(F)CN=CNC=O;IBZVNMZTNRTEEC-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91623;MM91623;C#CC=NOCCCO;QJDKRDRRAGRAPG-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91624;MM91624;C#CC(CC(=O)OC)=NN;IALODZZSCHEOJF-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91625;MM91625;CCOC(CC(C)N)=NO;AIHYUYYOQPMKQS-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16078;MM16078;CC(C#N)CNN=CC#N;NNXVWUMJHLKDDU-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91626;MM91626;C=CC(O)CNN=CC#N;ITROCOKIBJSDRD-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91627;MM91627;C=C(C)NC(=N)NC=NO;PGKZAYBPXOKJFD-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91628;MM91628;N#CC=NNCC(O)C=O;VTSHTOAMFQNOAD-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91629;MM91629;N#CC=NNCC(O)C#N;QQXHUAVELARZOC-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91630;MM91630;O=CC=NNCC(F)C=O;INHGJPTXEPTCPD-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91631;MM91631;N#CC=NNCC(F)C#N;BPJNBGMIPAJMDB-UHFFFAOYSA-N;140.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91632;MM91632;CC(C#N)COC=CC=O;PPQHGWUOCWZJNW-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91633;MM91633;C=CC=COCC(O)C#N;BIPLVARXZWCFGV-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91634;MM91634;N#CC=COCC(O)C#N;KOTFLJSIWZVAPQ-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15810;MM15810;N#CC=COCC(F)C=O;IBPGEPOXSCDEJT-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91635;MM91635;N#CC=COCC(F)C#N;BBHKLISXSQYKLR-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91636;MM91636;C=NN=COCC(O)C#N;DOLMCTUVVYUIDS-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15932;MM15932;CC(C#N)CON=CC#N;GRNPRCMXNQACSD-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91637;MM91637;C=CC(O)CON=CC=O;VBUOTHLRFFMRTN-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91638;MM91638;COC=NNC(=N)OC=O;DKCHLOXSLQWTSA-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91639;MM91639;N#CC=NOCC(O)C=O;NWPYNJKAZHAQFM-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91640;MM91640;N#CC(O)CON=CC=O;ZNWKBZYGXNTJAC-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91641;MM91641;N#CC=NOCC(O)C#N;VTMINNNDGISSFC-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91642;MM91642;CC(C=O)NN=CNC=O;PUZHCEJUURHCCF-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91643;MM91643;CC(C#N)NN=CNC=O;XMDRKYQPICSOES-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91644;MM91644;CCNC(=NC)NC=NO;PQPWXRNFNNAFEW-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91645;MM91645;C=NNC(C#N)=NNC;MIGBRTKGPVCGSA-UHFFFAOYSA-N;125.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91646;MM91646;CC(C#N)OCC=CC#N;VXIHHKXKJFKLSX-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91647;MM91647;C=C(C)C(C)(N)CC(C)N;ARCPCYULGHSZJF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91648;MM91648;CC(C#N)ON=CNC=O;ZEOKXHBQUHVNOO-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91649;MM91649;CCN=C(NC)NC=NO;PQPWXRNFNNAFEW-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91650;MM91650;N#CC=CCCN(O)C=O;SXHQVHUNASDZDA-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91651;MM91651;C=NN=CCCN(O)C=O;NCWDXJGZTHDWBW-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91652;MM91652;COC(C)(CC(C)N)OC;WQYZIZZDCKFIBR-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91653;MM91653;C=C(F)CC(N)CNCC;NCBJNPPJJCPWNB-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91654;MM91654;CC(CCC(C)N)=NO;UNHMJULYZWMBAY-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91655;MM91655;CNCCC(N)C=C(C)F;UFHXFYRDSMJQON-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91656;MM91656;C=NN(C)C(C#N)=NNC;BTANBBQRPLRLDR-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91657;MM91657;CC(C)(N)CC#CCO;QZMUIKZMBQZIEG-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91658;MM91658;C#CC=NNCC(O)C#N;QYMNVTOPQNPETM-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91659;MM91659;N=C(N)N(O)C(=N)N;PTUNZZSNAHJWPA-UHFFFAOYSA-N;117.11;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91660;MM91660;CNN=C(C=O)NC(C)C;INCUEFLWFFKXCL-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91661;MM91661;C#CC=COCC(O)C=O;MQCVVJULTAABKW-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91662;MM91662;C#CC=COCC(O)C#N;XEIYZUIEIOEYFR-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91663;MM91663;CC(N)(CF)CCCCN;MEACHCKILJUQRU-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91664;MM91664;C#CC=NOCC(O)C#N;DENPCLVVSABYRW-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91665;MM91665;C=CC(CC)N(O)C(=N)N;YABOJSJNPRKFJN-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91666;MM91666;CCNCCC(C)(N)CF;MHMXITTWMUKVDC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91667;MM91667;COCC(O)CC(C)(C)N;RKZZMKNKHQVDJB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91668;MM91668;CC(CCN)C(C)(N)CF;FQXVULXHDJMEEG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91669;MM91669;C#CC(O)COC=COC;MLHQAMYMRXWJTA-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91670;MM91670;C#CC(O)CON=CCF;IHXJHOWIPUPPMC-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91671;MM91671;CN(C)C=NC(C)(C)CO;OMSBFBVVGXLCFP-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91672;MM91672;C#CCC(C)(CN)CNC;UFURSSYLAKNVJC-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91673;MM91673;CON(C=NN)C=NC=O;DPBIXVWOAPSVKH-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91674;MM91674;CC(CN)CC(N)C(C)F;TTXGNRVKKPVFKW-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91675;MM91675;C=C(C=C(C)CN)CCN;RYHHAICDQZUFNT-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91676;MM91676;CN=C(N=CNC=N)NO;AQQMECUHEQSMJH-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91677;MM91677;C#CC(F)CNC=CC=O;KULHMHWEVSKVHN-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91678;MM91678;C=C(C=C(C)CCN)CN;BYSCYIPONGVMGF-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91679;MM91679;C#CC(C)CN=CNC=O;FVYKRPVANGVRKV-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91680;MM91680;C=CC(N)C(C)NC(C)C;YSRBVDVPDITIEK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91681;MM91681;CC=NNC(C)(C#N)C#N;MHJKSGWVNFZUHG-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91682;MM91682;C#CC(O)CNN=CC=O;JQTXNAPBDYXECZ-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91683;MM91683;C#CC(O)COC=CC#N;FMMMNGDATXANCD-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91684;MM91684;CNC(CCN)CC(C)F;ZYJXASDVSSCHOZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91685;MM91685;C#CC(O)COC=NN=C;NYJTXGBCJJUBOH-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91686;MM91686;CC(C)=CC(CN)C(C)N;LVNXUCVJYZQXGT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91687;MM91687;C#CC(O)CON=CC=O;FCMCFMFHZZETHD-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91688;MM91688;N#CCCCC(=N)NC=N;KLPITFDRFOXHGP-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91689;MM91689;C#CCCCC(=N)NC=N;DLWKDLZZOJAOJY-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91690;MM91690;CC(C=CF)CNCCN;FOSXLUMHBGLPKU-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91691;MM91691;C#CC=COCC(O)C#C;RFOHWUQEQANWIX-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91692;MM91692;C#CCC(N)C=CCCN;FSLCNLIKBYEAME-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91693;MM91693;O=C(CO)CCC=CCF;LWBAUUPNGPVDOH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91694;MM91694;NCC=C(F)C=CCCN;GFBNCIISAGBPEZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91695;MM91695;CC(C)=COCOC=NN;WAGQTYASGHWQMW-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91696;MM91696;C#CCC(N)C(=C)CCN;IZNXQAXYDUHRSH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91697;MM91697;COC(=O)CCC=CCO;JICKAALHTZLHAP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91698;MM91698;CCNC(=N)C(=N)NC=N;XZLBXYPZUSJGEH-UHFFFAOYSA-N;141.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91699;MM91699;C=CCNCC(C)C(C)N;ZDUCTRHTAHCLHO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91700;MM91700;C#CC(C)(C=C)C(C)NC;KVRFMGFPBBQQBF-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91701;MM91701;COCC(C)OC(C)=NN;NETCXHZTGJJUDV-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91702;MM91702;C=CC(N)(C=C)CCNC;GMKAWEWGBMTRNO-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91703;MM91703;C#CC(=NOC)NOC;VNUFNINMBWDVIU-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91704;MM91704;CCC=NNCC(=O)NO;IYIWAUCCHIESAQ-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91705;MM91705;CNC(=N)C#CC(C)OC;ZSGDKYBGGRORSB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91706;MM91706;C=C(CO)COC=CCO;WEKRBUQJFXCHQK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91707;MM91707;CCC(=O)COC=CCO;YBLDEGNIMMPRSS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91708;MM91708;COC=COCC(=O)CO;RIQMAQVEEYBCSD-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91709;MM91709;CCC=COCC(=O)NO;QRCCKINAUYNPOO-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91710;MM91710;CCC=NNC(C#N)C#N;RYNAGIDQLXOHCV-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91711;MM91711;C=CC(C=C(C)CN)CN;WTRBELUKFYMBLZ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91712;MM91712;CN(C)C(C#N)C#CC#N;RMMNIVQUYGPUPO-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91713;MM91713;CC=NOC(CO)=NNC;REKRPUJALWSQBV-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91714;MM91714;CNC(=N)C=C(C#N)OC;GUWMGTCBRYWKIQ-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91715;MM91715;COC(C)C(CO)=NN;VSGWUJOFRFJEQM-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91716;MM91716;COC(CO)CC(C)(C)N;ODSHCUZEZCQHRX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91717;MM91717;C=CC(CO)C(C)(C)N;MKPNXKMGHGKRIR-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91718;MM91718;CNC(=O)NCC=CCF;MPXPMSRZKUWYFH-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91719;MM91719;CCNCC(N)CCCF;WKUYRJLUBHAIHL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91720;MM91720;CNN=C(NO)C(C)(C)F;DPTDMTGIOJGLMR-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91721;MM91721;C=CC(CNC)C(C)CO;YLUIKMSYLDMIJY-UHFFFAOYSA-N;143.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91722;MM91722;CNCCC=CC(=O)C=O;YKVJTYRXZUMUJV-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91723;MM91723;CC(O)CC(C)(C)N;GZTKJFBKAZBXIB-UHFFFAOYSA-N;117.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91724;MM91724;C=CC(CCNC)C(C)=O;RKAPPKXMSJEYIH-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91725;MM91725;CNN=CONC(=O)NO;SPSJIVRLPAGXFG-UHFFFAOYSA-N;148.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91726;MM91726;C=NNCC(F)C(=O)C#N;MSBKPACOBHSDLT-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91727;MM91727;C=NOCC#CC(=N)NC;JSSYHUMTXTUAJZ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91728;MM91728;COC=CCOC(=O)CO;BSNMMJNGZBOALX-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91729;MM91729;C#CC(CCN)C(N)C=C;BPQCOAOFCNNSRL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91730;MM91730;CC(N)(CC=CF)CCO;MQUDMCMYCWCYSU-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91731;MM91731;C=CC(CCN)=C(C)CN;YXZJWBYZIDUDKT-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91732;MM91732;C=C(CC)C(CN)C(C)N;IVVFUFCJXTUXLP-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91733;MM91733;C=NNC(C#N)=NCCO;ZJEJTZJBNNWTKC-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91734;MM91734;CC(F)=C(CN)C(C)CN;WRFWCMKUNNCOPB-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91735;MM91735;C=CC(CCCN)N(C)C;MSSDYASITYTUAK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91736;MM91736;CC(C=NOCC#N)CO;CUVNYZNOLOUWTM-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91737;MM91737;C=CC=CC(CN)C(C)N;PXVZGGCXMCFKMY-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91738;MM91738;COC(=O)OCC=CCO;MTAXJUIWBBEQAH-UHFFFAOYSA-N;146.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91739;MM91739;C#CC=CC(CN)C(C)N;SBZLYLGEKKSBRC-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91740;MM91740;C=C(C)C(CCO)CNC;FPKDNBUZMMOMKD-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91741;MM91741;CNN=C(NC)C(F)C#N;ALASKUOVFGPZHI-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91742;MM91742;C#CC(C=NOC)C(=N)N;GCWXDBQLWYUKMR-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91743;MM91743;C=CC=CCCC(=O)CO;XQCHQYZUHRSQHP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91744;MM91744;CCC(CN)C(=CF)CN;YYVORMJMESRNPC-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91745;MM91745;CC(C)=CN=C(N)CC=O;ZZUPNMBLMWNZCA-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91746;MM91746;C=NN=CCCC(=O)NO;XNUIZORUJWJYCL-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91747;MM91747;C=C(CF)CN=CNC=O;FOERJOOEHGVBSL-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91748;MM91748;C=C(F)C(C=O)CCNC;OIXUOGSAKLXYHD-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91749;MM91749;C=CCCN(N=C)C(N)=O;CCFLBUBXIZTWSK-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91750;MM91750;CCNN=COCCC=O;FYUIDUJBXBDVKI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91751;MM91751;CNCCC=C(C=O)C=O;RDLCCMPSOZCRJB-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91752;MM91752;C=CCC(N)C(C=C)CN;OETRVQVHBGUXLB-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91753;MM91753;CC(C)C(N)CCC(N)=O;VNRJWMWWCNUZPF-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91754;MM91754;N#CC=NNCC(=O)CF;FCOVLMAEACHPJC-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91755;MM91755;CNC(=NC=N)N(C)C=N;ROKHESKNPROKKA-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91756;MM91756;CNC(=O)CNN=CC#N;URVYCMVFSUBQPT-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91757;MM91757;C=CC(C=O)CCNC;RBARWLARJYIDJY-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91758;MM91758;C=C(C)C(C=O)CCNC;IBGMBFWRZJRNIL-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91759;MM91759;COC(=O)CNN=CC#N;PWJHLCVFVNVAFQ-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91760;MM91760;C=CC=COCC(=O)CO;QNFPGMYVRZGHNR-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91761;MM91761;CNC(CN)C(C)C=CF;DEYGBMBSNXDPGM-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91762;MM91762;C=CC(CN)=C(C)CCN;LIBMUSQFFHTHNQ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91763;MM91763;NCC=COC=CCCN;VCQGUMILYKJVSC-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91764;MM91764;COC=NNC(C)CC=O;IZOJZYJUGZWHMP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91765;MM91765;CNC(=O)COC=CC=O;AWYNUQHURXPEFE-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91766;MM91766;N#CC=COCC(=O)NO;WHOJFCBFUKKCFB-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91767;MM91767;CC1(N)CC1;VSRXAWSAKJABKW-UHFFFAOYSA-N;71.12;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91768;MM91768;COC(=O)COC=CC#N;PUWCAHWOCKTWPH-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91769;MM91769;C=C(CO)CON=CC#N;AWYBKEACUKWVSI-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91770;MM91770;N#CC=NOCC(=O)CO;BMWVIXIYSYDGEU-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91771;MM91771;CNCC(C)CF;FDAHTMWIYHYPQB-UHFFFAOYSA-N;105.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91772;MM91772;C=CNC(=NN)NN;QGFLWQOVQDTNHG-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91773;MM91773;CNC(=O)CON=CC#N;PLHXWNPNLCONLA-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91774;MM91774;C=NNC=C(C#N)OC=O;KOTYVDYXSUNOLR-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91775;MM91775;C=NN=CCNC(=O)CO;WQXQMQYPINOZRD-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91776;MM91776;C=C(CN)CCN;BMAWGSITOGAGDR-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91777;MM91777;CC(C)(C)NCCN;JYXKYKIDIKVWNY-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91778;MM91778;CNC(=O)NCC=CC#N;XVVIBHQASICFGO-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91779;MM91779;CC(C)NC(C)CN;CYDDCGURYVWSDZ-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91780;MM91780;C=NN=CCNC(=O)NC;XJFHNLMFUKHYLJ-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91781;MM91781;C=CCC(N)CCN;UKBDYQIYFYMPFQ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91782;MM91782;COC(=O)NCC=CC=O;KRXRRBKJEKYTLG-UHFFFAOYSA-N;143.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91783;MM91783;N#CCNC(=N)NC=N;OVSGXSAQZXPBQV-UHFFFAOYSA-N;125.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91784;MM91784;CCC(=O)NNC=CC#N;HCLZLPJDLCFBTO-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91785;MM91785;CNN=CON=C(C)C;LTHZHDOOUBEUJB-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91786;MM91786;O=CNC=NNC(=O)CO;MZQIDOABXXAXAT-UHFFFAOYSA-N;145.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91787;MM91787;C=NNC=NNC(=O)CO;KNMKRTAWYIBSMP-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15275;MM15275;C=NNC=NNC(=O)CF;LGZKWYDGFKQNHJ-UHFFFAOYSA-N;146.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91788;MM91788;CCN=CN=C(N)C=O;JEYBRPKCIOISGV-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91789;MM91789;COC(C#CC=NN)=NN;KYBWJBAULOHEED-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91790;MM91790;CN=C(C)NN(C)CC#N;LNFZCEHEGFVJNJ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91791;MM91791;COCON(C)C(=N)N;YFNFYWYBXIRPPF-UHFFFAOYSA-N;133.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91792;MM91792;CC(C#N)=CNC=N;ROROTVSPTAJHDC-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91793;MM91793;C#CC(C=NNC)C(=N)N;CMRBSAUZVPHTNJ-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91794;MM91794;C=NN=CONC(=O)NO;DMOZPBCMHCWCLE-UHFFFAOYSA-N;146.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91795;MM91795;CC(=CCN)CCN;NZLCWLIDZUKWHX-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91796;MM91796;C=CC(N)CCNC;IDWHUCLPKQGJRC-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91797;MM91797;C#CC(=C)C(=NN)ON=C;KKOYYJMERGMOQK-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91798;MM91798;CNC(=O)OCC=CC=O;HEBITZTWSMVGNZ-UHFFFAOYSA-N;143.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91799;MM91799;N#CC=CCOC(=O)NO;WWPNNTAYJSJAEK-UHFFFAOYSA-N;142.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91800;MM91800;CN=CNC(C)(C)C=NO;HTPLAEMUWMBFEG-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91801;MM91801;CCN=C(C=O)NCC#N;LHALYHAJVHNIQV-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91802;MM91802;C=NNC(=O)C=CCO;KXZNZNYNDRAVFO-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91803;MM91803;C#CC(=NO)OCCNC;XMSHYDFOKZIYIN-UHFFFAOYSA-N;142.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91804;MM91804;C=NNC=NOC(=O)NN;JIKYCNXATCDPAE-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91805;MM91805;NCC(C=NO)CC=CF;BXKSFHPVBIJYSU-UHFFFAOYSA-N;146.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91806;MM91806;CON=CC(C)(O)C(C)O;VTPADTBLFMNBSM-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91807;MM91807;C=CC(=CC=NO)NC=N;KXQJHBIXQYUVRK-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91808;MM91808;C=CC(CN)C(C)N;FNTCGZPCIFZNJE-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91809;MM91809;CN=CC=C(C=NO)NO;RTAXNYPZTZZDTD-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91810;MM91810;C=CCCN(C)NC(C)=O;PYLNOJJSLSBIJQ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91811;MM91811;C#CC=COCC(=O)NO;VCWQAZBEFRHBRC-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91812;MM91812;CNN=CCC(C)(C)N;COBAXKOSQRMLMK-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91813;MM91813;CC(C)CN(C)NC=O;ONMRQEBXPQLNSQ-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91814;MM91814;CC=NOC(=NN)C(C)O;XOKOJOSSFUPPQL-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91815;MM91815;C=CNC(=O)N(CC)N=C;HLFBAMDBFUTPSU-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91816;MM91816;C#CCC(C)(N)CNC;UEHJETPGBVNZPR-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91817;MM91817;C=CNC(=N)NC(C)=NO;WQYPJKMBDCDEQZ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91818;MM91818;C=C(C)CC(N)CCN;BUWKLIJCYBHBRK-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91819;MM91819;C#CC=CCNC(=O)OC;DUOMJBOXJMVMEH-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91820;MM91820;C#CC(C)(N)CCCN;YNPVZFJWICZWRA-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91821;MM91821;C=CC(NC=N)C(F)C=O;QAEIHAUSDXNUIC-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91822;MM91822;CC(C)CNN(C)C=N;PQABBNPMLVTBKD-UHFFFAOYSA-N;129.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91823;MM91823;CN(N)C(=N)NC(=N)CO;PLJBFNHZVPUJFD-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5";;;;;;;-1.55;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91824;MM91824;COC(CC(C)N)OC;QJCUOTXLMITDRG-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91825;MM91825;CC=NOC(C#N)CO;NQPANZKTKSNNDM-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91826;MM91826;CCN=C(N)CC(=O)C=O;IIOYHZISDGWOEP-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91827;MM91827;C=CC(O)C(N)=CC#N;ALIABGIPZKYMDF-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91828;MM91828;C=C(C#N)COC=CCO;CTXQHGRVXAKYAT-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91829;MM91829;C=CC(=O)COC=CCO;WTCHGYHFXBHWJJ-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91830;MM91830;N#CC(=O)COC=CCO;CJFJQBOBCSNIBN-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91831;MM91831;COC=COCC(=O)C=O;MTBJTLDQTZIAGH-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91832;MM91832;COCC(=NN)C(C)(C)O;YUCWMKXZDVNMKY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91833;MM91833;CNCCCOC(C)CO;CFCDXMYRMYJUDD-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91834;MM91834;C#CC(CO)=NNCCC;DLNYPDGCJZETNL-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91835;MM91835;N=C(N)NC(=NN)NO;TUQQXJZMQKNDIP-UHFFFAOYSA-N;132.13;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91836;MM91836;CC(N)CC#CCCN;PGPFDYQXORGOCB-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91837;MM91837;NCCC(N)CC=CF;JZYGEKDADSZVHS-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91838;MM91838;COC=CCNC(=O)C#N;XRIZFBQIMACXFW-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91839;MM91839;CNNC(=N)NC(=N)NO;DODBOIIRKDHCLB-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91840;MM91840;CNC(C(C)C)C(C)O;ZQFVEGFIGKPNTR-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91841;MM91841;C=COCC(=NN)C(C)O;LQQDOJRVZBNTCE-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91842;MM91842;CON=CCNC(=O)C#N;NWFCQSCDRKKTTR-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91843;MM91843;CON=C(C)C(C)O;WPHUYJPJRANCOS-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91844;MM91844;CON=CC(C)(CO)OC;UEPOLVZTDUOXTK-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91845;MM91845;C=NOC(CO)C(=O)C#N;XFHFZJNSWIIDKJ-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91846;MM91846;CCC(CO)=NOC;XSSLGIAZAAPKHD-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91847;MM91847;CNN=CONC(=O)C#N;PPMGPHAHLLXSMI-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91848;MM91848;CC=CC(N)CCNC;XSVFJZWTYHPULO-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91849;MM91849;C=COCC(CO)=NN;MYZUSDHNVXBCKM-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91850;MM91850;CON=CONC(=O)C#N;KEGBDLRUUVJCKA-UHFFFAOYSA-N;143.1;-0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91851;MM91851;O=CC(=O)OCC=CCO;RYHDTXSKMKQXGG-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91852;MM91852;N#CC(=O)OCC=CCO;GJEHEIAVQPBPCE-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91853;MM91853;CCNCC(N)C(C)C;SLYXZCWXDBXVIS-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91854;MM91854;CNCCC(C)OCCO;MOCORDOXYPJIOD-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91855;MM91855;CC(CO)C(C)(N)CCF;WLKOSTMAAMRYLX-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91856;MM91856;CC(O)C=NOCCO;ZKKBWSNFYYPWJP-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91857;MM91857;C=C(C#N)CNC=CC=O;NWOLUZSENUPJCP-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91858;MM91858;C=CC(=O)CNC=CC=O;KNXBUUDDEJENIH-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91859;MM91859;N#CC=CNCC(=O)C#N;XQHDGPIUUOGMGJ-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91860;MM91860;C=CC(=C)CN=CNC=O;KTJYAAJIGAPNIJ-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91861;MM91861;CC(C)(N)CCO;PHRHXTTZZWUGNN-UHFFFAOYSA-N;103.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16077;MM16077;C=C(C#N)CNN=CC#N;HTTGPDQOYGAPRD-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91862;MM91862;N#CC=NNCC(=O)C=O;QRIOBKOSPRNADM-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91863;MM91863;N#CC(=O)COC=CC=O;XNYSFCWKJAAYBR-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91864;MM91864;N#CC=COCC(=O)C#N;CNFPYDXCRVLHMW-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02716;MM02716;C=NN=COCC(=O)C#N;SATLSLRRHUSGSD-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91865;MM91865;CCCCNN(C)C=N;UCUNFJJRRBPCCL-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91866;MM91866;CCC(=O)CCCNC;AQPWDLVHTYSUBK-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15928;MM15928;C=C(C#N)CON=CC#N;ASHRNDGWWNBBOS-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91867;MM91867;CC(CO)OC(N)=CC#N;XXXIDZIOIQCLBO-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15927;MM15927;N#CC=NOCC(=O)C=O;BMURDGVQJZIQPF-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91868;MM91868;N#CC(=O)CON=CC=O;NPIMIDKNIDCRTM-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15917;MM15917;N#CC=NOCC(=O)C#N;VAPOHRRWVRZANQ-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91869;MM91869;C=CC(=O)CCCNC;MIKKFJYKRMYQQK-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91870;MM91870;CC(CN)=C(C)CCN;KHUQNIOXBVLUOR-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91871;MM91871;N#CC=CCNC(=O)C=O;WSOQRCDZSCKWRW-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91872;MM91872;N#CC(=O)NCC=CC=O;JRXACOONZUBVLA-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91873;MM91873;N#CC=CCNC(=O)C#N;AMSODKBLYJOFTF-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91874;MM91874;C#CCC(CF)CNC;WZVCRPUIDNWZGA-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91875;MM91875;C=NN=CCNC(=O)C#N;AUMKXQHBLUCHGX-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91876;MM91876;N#CC(=N)NN=CNC=O;SJJSEDDDAFUXCZ-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91877;MM91877;N#CC(=O)NN=CNC=O;LWNIMPISYMPMBY-UHFFFAOYSA-N;140.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91878;MM91878;C=CC(C)C(CCO)NC;UFHGRYOSVQYPPW-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91879;MM91879;C=NN=CNNC(=O)C#N;RTVDDYTVLDKBKU-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91880;MM91880;N#CC(=O)ON=CNC=O;MSKCDTFCXZJULS-UHFFFAOYSA-N;141.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91881;MM91881;N#CC=C(N)CO;SEQDCFXTQJKSMP-UHFFFAOYSA-N;98.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91882;MM91882;CCN=C(NO)C(=O)OC;IDBFEGWNRKOTPT-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91883;MM91883;CCC=C(CN)CCN;LHQJJLQESPDQNN-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91884;MM91884;C#CC=CCNC(=O)C=O;WHIXCNIQIMUZIP-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91885;MM91885;CC(C)N=C(N)CC=O;FROGDXIQYKNKSE-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91886;MM91886;COC(CN=CN)C(C)=O;PBORJVWPBRRFSU-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91887;MM91887;COC(C#N)=C(N)NC=N;MYFPZFQPZPJYHB-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91888;MM91888;CCOC(C=O)CN=CN;MXGVOANOOUPAOB-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91889;MM91889;C#CC(=O)COC=CCO;UMBJDKGMIJQHHR-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91890;MM91890;C=CNC(CC(C)=O)=NC;SSWCSQGUGWWCAZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91891;MM91891;COC(C=O)CN=CN;IUEPQCSEPCSTDX-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91892;MM91892;CC=CC(CN)C(C)N;WJAFNUZVWKPFFR-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91893;MM91893;C#CC(=O)NOC=NNC;PTFGTRDFLBPLKF-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91894;MM91894;CC(C)=C(CN)CCN;GYDDYOWGDCADQL-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91895;MM91895;C#CC(=O)NOC=NOC;BSZCWSSOPAHOSI-UHFFFAOYSA-N;142.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91896;MM91896;C=CC(C)C(CN)NC;HDQZDVGYZWYYCR-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91897;MM91897;C=CC(=CCCN)CN;ALMHVLRIPFQXPG-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91898;MM91898;C#CC(=O)CNC(C)=NC;QSMDTDWDKZLWOX-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91899;MM91899;CC(C)(N)CNCCCF;YXSSEZUUEZTPST-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91900;MM91900;CC(C)C(C=O)N(C)C=N;NPJPZWAMHDWPQY-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91901;MM91901;C#CC(=C)CN=CNC=O;GLKUQQKWIGMKOH-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91902;MM91902;CNCC(C)CC(=O)C=O;PQPAUKPMLPBMNT-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91903;MM91903;C#CC(=O)COC=CC=O;BDHFCJKZCYKYIS-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91904;MM91904;C#CC(=O)COC=CC#N;CMOYREGHTDNIEF-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91905;MM91905;C#CC(=O)COC=NN=C;VDIGGHQKDRZACO-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91906;MM91906;C=CC(N)C(C)(C)CNC;OSTJKYFDJGOPGG-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91907;MM91907;C#CC(=O)NCC=CC=O;LXTFDDQAGWRARQ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91908;MM91908;C#CC(=O)NCC=CC#N;YIDSRQWFNSHQFH-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91909;MM91909;C#CC(=O)NNC=CC#N;YWYOYFYPYQGPQA-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91910;MM91910;C#CC(=O)NN=CNC=O;GPLLEOVCDSNBNK-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91911;MM91911;CNN=CNC(=N)C(=N)N;NPTIAHVWHXGPGY-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91912;MM91912;C#CC(=O)ON=CNC=O;KEVDTZSQLZFIOB-UHFFFAOYSA-N;140.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91913;MM91913;C=C(C)NC(=NN)NN;IGAIWIMZRLVKTO-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91914;MM91914;OCC(O)CCC#CCF;CFKXAIBIKWNOSW-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91915;MM91915;C=C(C)C(C)(N)C(C)NC;WKOLDZGFWGBOAB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91916;MM91916;COC(C)OCC#CCO;CSILOGIUCXPAKC-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91917;MM91917;N#CC#CCCC(O)CO;JAAPQHKKIGYCPQ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91918;MM91918;CC(F)C(C)(N)CCCN;BWSXAUDYJQOIHH-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91919;MM91919;CC(CO)OCC#CC=O;PGIYCSWVQOFTOE-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91920;MM91920;CC(CO)OCC#CC#N;KZQMKXXUYMJVPF-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91921;MM91921;C#CC#CCCC(O)CO;VEWAAWZRLFKENJ-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91922;MM91922;C=CC(O)CCC#CCO;QJAQHTCIZPNCKO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91923;MM91923;C#CC(=O)CN(C)C=N;ZOWGTAYVKXQIPI-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91924;MM91924;CC(C#N)OCC#CCO;ATPHBPRVMNQTRP-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91925;MM91925;CN(C=O)CCC#CCO;PYOQWIZPRBUYMO-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91926;MM91926;C=CCCC(=N)NC(C)=N;VOTJPMRRVJULBJ-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91927;MM91927;CNCCC(N)C=C(C)C;GFQTZKAEBBXQRW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91928;MM91928;CN=C(N)CC#CC(C)=O;AWORYTKSPGJTOU-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91929;MM91929;CNC(C)(C)C(CN)CF;NEZMIXRDJBTMPG-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91930;MM91930;CN(C=O)OCC#CCF;OLKUYYZCEQYIEJ-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91931;MM91931;N#CC(O)CCC#CC=O;XHVNCMBVLXSERA-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91932;MM91932;N#CC#CCCC(O)C#N;KXWRWHAHONIXCH-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91933;MM91933;C#CCC(N)(CC)CCN;HGSSXXSKXXYBDV-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91934;MM91934;CON=C(C=CF)NO;HQGCSJFZTZLFAN-UHFFFAOYSA-N;134.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91935;MM91935;C#CC(C)(C=NN)C(=N)N;VGLODAUCGXXIIR-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91936;MM91936;CC(C=O)OCC#CC=O;OREBOFSJZVWAEP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91937;MM91937;CC(C#N)OCC#CC#N;UKMCENSMHGRQHV-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91938;MM91938;CC(C)=CCC(N)CCN;NVHHYMWPQDSZPF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91939;MM91939;NN=CON=CNO;VTCQHNWUINNMKV-UHFFFAOYSA-N;118.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91940;MM91940;O=CC#CCCN(O)C=O;YRRROBQYLOACGQ-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91941;MM91941;N#CC#CCCN(O)C=O;SCXPUIDFXRMMCM-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91942;MM91942;C=CC(F)CC(N)CCF;VFLNHBHBIWAVSD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91943;MM91943;C=C(CC)CC(N)CCN;SFXHDLPGVGCDQB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91944;MM91944;C=C(CN)CC(=C)CCN;UJDYMIHZHURBDP-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91945;MM91945;CC(=CF)CC(N)CCN;ZFHYKIIQQUVAAM-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91946;MM91946;C=CC#CCON(C)C=O;PBLJTHGKZZQMGA-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91947;MM91947;CN(C=O)OCC#CC=O;ORZMXRSMMHABLZ-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91948;MM91948;CN(C=O)OCC#CC#N;SIHMNKVPVRXHTD-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91949;MM91949;CNC(C)C(N)CC(C)C;BNJINXKDZSPUIC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91950;MM91950;C=CN(N)C(=N)CC(C)F;LVXAVFNLNSPHPB-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91951;MM91951;C=NOC(CC(C)N)OC;HNZSSRLHHPTOKL-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91952;MM91952;CC(C)C=C(CN)CCN;LYYIVRLYEIHPJQ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91953;MM91953;N=NC=CNN=CC(N)=O;LMYHFNTXBFVMJY-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91954;MM91954;CNC(=NN=CNO)OC;FKGGQFUBMZGNJL-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91955;MM91955;CNCCCON=CCF;ICQZBNSQBHJTFS-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91956;MM91956;C#CCNC(=N)C=C(C)N;ROVGQOXKSZKYFL-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91957;MM91957;C=C(CO)CCC#CCO;JIBXVLUQGZOTTF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91958;MM91958;COC(=O)CCC#CCO;LKLBKAVTWRIKRX-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91959;MM91959;C#CC(CNC=O)=NNC;HMHJJVQWYHVBOT-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91960;MM91960;C=C(CN)C(=C)OC=NO;QBWOTFKKJHUZPM-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91961;MM91961;CCC(=O)NCC#CCO;HNKYKHSGTZZVFL-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91962;MM91962;O=C(CF)NCC#CCF;ZSXIMKBRERRRSS-UHFFFAOYSA-N;147.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91963;MM91963;CC(F)C=C(CN)CCN;OOUJSZIOTAOKIW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91964;MM91964;CNC(=O)NCC#CCF;OISIISXXHBQAHL-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91965;MM91965;C=C(C)C=C(CN)CCN;CAVQMCKHZLTVPD-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91966;MM91966;COC(=O)NCC#CCO;UGAIWBZYYXCWQW-UHFFFAOYSA-N;143.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91967;MM91967;CCC(=O)OCC#CCO;ZBFZRJIHJJJTFE-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91968;MM91968;O=C(CO)OCC#CCO;CDKOAGOMJBSNLS-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91969;MM91969;N#CC=CN=CNC(=N)N;TVBLOGNWFDXXJY-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91970;MM91970;CNC(=O)OCC#CCF;LBNVIQQVHACEIA-UHFFFAOYSA-N;145.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91971;MM91971;COC(=O)OCC#CCO;HBOUXBOOVUJYSF-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91972;MM91972;C=COC(CCCN)=NO;KSLLZQLVQLPBTI-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91973;MM91973;CC(C=NO)(CF)CCN;COJVRYFDIHVIKS-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91974;MM91974;CNC(=O)CCC#CC=O;HVBUIRQVIOOPKR-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91975;MM91975;N#CC#CCCC(=O)NO;AYPMKXFMBIZSFG-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91976;MM91976;NCCC(N)CC=CCF;NZXHCHXPXJRULN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91977;MM91977;O=CC#CCNC(=O)CF;HTFNYSOIHNLWGR-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91978;MM91978;N#CC#CCNC(=O)CF;ISAIFYCOFMTEJI-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91979;MM91979;C=C(C)C(C)C(CN)NC;GVMXCVRFWJVYBM-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91980;MM91980;OCCNN=CC#CCF;IWMAWHMFAAJTBG-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91981;MM91981;C=CC#CCNC(=O)NC;DCDGNUHIFXDOHS-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91982;MM91982;CNC(=O)NCC#CC#N;UXYFGUQBFQXBJX-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91983;MM91983;C=CC#CCNC(=O)OC;OQLJNENBYUBVPW-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91984;MM91984;COC(=O)NCC#CC=O;IYVBAWURQNJAJI-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91985;MM91985;C=C(CO)OCC#CC=O;DXGRHJHAXYFRKX-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91986;MM91986;CCC(=O)OCC#CC=O;YYMUWOBTSQBVBQ-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91987;MM91987;C=C(C)C(C)CNCCN;XIAKVBJQCJGRKA-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91988;MM91988;C=CC#CCOC(=O)CO;SRTOAGXBFYAKAJ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91989;MM91989;O=CC#CCOC(=O)CO;CQRICTOWFOAJPV-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91990;MM91990;N#CC#CCOC(=O)CO;BAKIITJBMLXIFT-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91991;MM91991;CN=C(NC)NC(C)=NO;HBLIXPJQEMXCAR-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91992;MM91992;N#CC(=CC(=N)N)C(N)=O;LVJXRTRRASZBSE-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91993;MM91993;O=CC#CCOC(=O)NO;HGTBEPYCGIWOSF-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91994;MM91994;C=NOC(=CNO)N=NC;XHMXWFOPLOPSGZ-UHFFFAOYSA-N;144.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91995;MM91995;C=C(C)C(=O)CCCNC;CILIYBVCZINPCD-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91996;MM91996;CCOC(CCCO)=NN;IQYIXILQZJQMEB-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91997;MM91997;C#CC#CCNC(=O)NC;SRUJQVTZSXUHOX-UHFFFAOYSA-N;136.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91998;MM91998;C#CC#CCNC(=O)NO;WEQMTPSJIGCBFZ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM91999;MM91999;C#CC#CCNC(=O)OC;GZTFVYFYOXUDKR-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92000;MM92000;C#CC#CCOC(=O)CO;JGKQYEUUGPOMQK-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92001;MM92001;CC=CC(C=NN)NC=N;YPVJQXZDQWWQJG-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92002;MM92002;C#CC#CCOC(=O)NN;XASRYTBMSHFCIG-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92003;MM92003;C#CC#CCOC(=O)NO;BCCGRSABGYZHHJ-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92004;MM92004;CON(C)C=NC(=N)NO;KLAJAXPRKGBENF-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92005;MM92005;N#CC(=O)NCC#CCF;IGVYPEHDNOYEFF-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92006;MM92006;C#CCC(=CCN)CCN;AWQQDIGDBOZBHN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92007;MM92007;C=CC(=O)OCC#CCO;YKHJUOXAHSBLMI-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92008;MM92008;O=CC(=O)OCC#CCO;HUYNSXRCGZJIKK-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92009;MM92009;N#CC(=O)OCC#CCO;LEHCLYBNWFQZAP-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92010;MM92010;N#CC#CCCC(=O)C#N;VYORDMBDMBJGEP-UHFFFAOYSA-N;132.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92011;MM92011;C=CC(C)(CN)C(C)NC;JKVUIJHEXJMVMU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92012;MM92012;CC(C#N)=C(N)CC=O;IYUJAENJNHDAMH-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92013;MM92013;C=NNC(=NC=N)OC=O;OEBBXCBPDHUJAY-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92014;MM92014;C=CC(=O)NCC#CC#N;DWMFUONPVXLVDL-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92015;MM92015;C=CC#CCNC(=O)C#N;IHVYTKLRHXRDQL-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92016;MM92016;C=C(C#N)OCC#CC#N;XKXSSTWBFHRTHG-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92017;MM92017;N#CC#CCOC(=O)C#N;UCVBPIOVFUFAGM-UHFFFAOYSA-N;134.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92018;MM92018;C#CC#CCCC(=O)C#N;VAHLKXPNUIRMOF-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92019;MM92019;C=CC(N)(CC)C(C)NC;ZFSHSPFWOBAHDM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92020;MM92020;CNN=C(C#N)NC;OALFYEIKJSCWDK-UHFFFAOYSA-N;112.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92021;MM92021;CCC(N)(CF)CCCN;HQFCSBKPLFANGH-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92022;MM92022;C=CC(C)(CN)CNCC;TXQDISJLVIVCQM-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92023;MM92023;C#CC(N)(CC)CCCN;SGKQLNUIZPPLFD-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92024;MM92024;C=CN(C=N)C(C)(C)CO;WVOKRZDNFUXAJW-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92025;MM92025;C#CC(C)(CCCN)NC;HUWKGLKEBPUEFH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92026;MM92026;CC#CC(CO)NC(C)=N;OBFKVNVLLJSWND-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92027;MM92027;CC(C=C(CN)CF)CN;PHPKUTRZIKEIFW-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92028;MM92028;CC(C)NCC(CN)CF;NVYGUFFFHMDQIP-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92029;MM92029;C#CCCC(C)NCCN;IQEJGMYQCKOYPO-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92030;MM92030;CNCCC(N)C=CCF;GRQZXNXCOPIHRK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92031;MM92031;CNCCC(F)C=CCN;ONWFHKUFDOXVPA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92032;MM92032;CN(O)C(=N)NC=CCN;UAPUWILZLRNOOK-UHFFFAOYSA-N;144.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92033;MM92033;NCC=CC(F)=CCCN;HRWSQWWGPZSBGU-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92034;MM92034;C=CC(=C)C(N)CCNC;QWJQYDVZPRIZQN-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92035;MM92035;C#CCNCCC(C)NC;NFADLLAUESISNH-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92036;MM92036;CN(C=N)NCCCC#N;LBOVYEPNFZSTBX-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92037;MM92037;C#CC(C)NCCCCN;AMOVNUFSMIPGKJ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92038;MM92038;CNC(=N)C#CC=CCN;PGHIBBLSYBSHDK-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92039;MM92039;C=C(CN)C(CN)CCF;SAWKIHCNKKZSFD-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92040;MM92040;C=CCC(CN)C(=C)CN;PFFTXBMBQNHKRY-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92041;MM92041;C=NN=CN=CNOC=O;QQTXAQLHZAOVOP-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92042;MM92042;C#CC=C(CN)C(C)CN;OSDSPISEVOOJEJ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92043;MM92043;CCC(CCN)=C(C)CN;AQXCQNSHQCGHCC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92044;MM92044;N#CCNC=NOC=O;QTTZUIXEEWRGNX-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92045;MM92045;C=CNC(=NC)NO;IPVLDQOKUJMEPP-UHFFFAOYSA-N;115.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92046;MM92046;N=C(C=C(N)CO)NN;OOMPSIHEPBPZAR-UHFFFAOYSA-N;130.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92047;MM92047;CCCOCOC(C)=NO;YXYJPBSCDNBZAJ-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92048;MM92048;C=NOC(C=NOC)=NN;ULRCLUSBMWHZJB-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92049;MM92049;CCC(C)=C(CN)CCN;FKMQMXHFSHYIMV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92050;MM92050;CC(CCOCC#N)=NO;GIMXDTWKVMWCAV-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92051;MM92051;CC(CF)=C(CN)CCN;GQKLPCWHDWJAMT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92052;MM92052;C=NOCOCC(C)=NO;MDEGCVQOBLBZRD-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92053;MM92053;CCC(C)C(NC)C(C)O;UKBWEONXNDLPPB-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92054;MM92054;CC(CO)=C(F)CC(C)N;MHHRZRXLUGURGI-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92055;MM92055;CCOC(C)OC=NN;LQBJDTFATVGPSG-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92056;MM92056;CC(CN)=C(CF)CCN;CWIMLEXLPBAPGB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92057;MM92057;C=CC(C)=C(CN)CCN;LUMGYLIGZNWHTQ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92058;MM92058;CC(=NO)OCOCC#N;RGDKKCOQIBUYAW-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92059;MM92059;C#CCOCCC(C)=NO;WJNKHIWIMDXFTM-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92060;MM92060;CNC(=N)N(C)C(=O)NC;QMJXZFXWANKLPJ-UHFFFAOYSA-N;144.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92061;MM92061;C#CC(CCCN)NCC;KNBXWBSXPBANCV-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92062;MM92062;CNC(C=CF)CCCN;OZLZUDMDMTVQSO-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92063;MM92063;CCC(OC)OC=NN;HBKCXJDQZQALEZ-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92064;MM92064;C#CC(C=CCN)CCN;NWXPWGVTMKQZGB-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92065;MM92065;C=CCOC(C)OC=NN;TVXWCDPUVLNQPO-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92066;MM92066;CC(N)CC(F)=CCO;TYUGBRUGQDJHQN-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92067;MM92067;CNCC(C=CF)CC=O;MGDYDDSBCCDDIR-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92068;MM92068;COC(COC=NN)OC;PYMNFPDVARGSIY-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92069;MM92069;CCCC=C(CN)CCN;MEERZZRFUPIXGM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92070;MM92070;C=CCC=C(CN)CCN;TYIYDSMPCWRQNS-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92071;MM92071;C#CCC=C(CN)CCN;QYGXANHNMFDGIH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92072;MM92072;C=CC(C#CC(=N)N)C=O;KGMMUVWVKPPHPY-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92073;MM92073;C#CC(C=O)CC(C)NC;ROPGYMUEOJAYPR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92074;MM92074;C#CCC(=CCCN)CN;SLZWXXDFWROSDF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92075;MM92075;CC=CC=C(CN)CCN;UKKNRGUALNGXIT-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92076;MM92076;CC(CNN=CCF)=NO;UMKZZSYQGVZGRB-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92077;MM92077;C=CC(CC=O)CNC;CVBRNAQBWBIJOB-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92078;MM92078;COC=NNCC(C)=NO;MPWMRAHOAYWUJU-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92079;MM92079;COC=COCC(C)=NO;STOIMUXXSKPQJQ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92080;MM92080;NCCC(=CC=CF)CN;IVUUMHLBCWPBST-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92081;MM92081;CC=CC(=CCCN)CN;IVNDCUFZCODLED-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92082;MM92082;NCCC=C(C=CF)CN;IQGJTVAUEPPHBE-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92083;MM92083;C#CC(C)C(CN)C(C)N;MHYGAVYDEPPPOV-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92084;MM92084;C=CCCC(C=O)NC=N;UHUDFMYBNCTNTC-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92085;MM92085;C#CC(C)=NNCCC#N;XCAZUQUGCORMLG-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92086;MM92086;COC=NN=CC(C)=NN;FWAFECGGJVORCQ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92087;MM92087;C#CC(=NOCC)NOC;QJKSDYHHVZADSB-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92088;MM92088;C=C(CN)C(CN)C(C)C;FJQXDNOLFPZTAH-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92089;MM92089;CCC=CC(CN)C(C)N;HWQFFUVLYBLPNP-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92090;MM92090;CNC(=NC(=N)C=O)NC;BOGZWJJJUASJOI-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92091;MM92091;CC=NN=CNC(=N)NC;KENCWEQBMUDTAV-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92092;MM92092;C#CCCOC(=O)NN;RPUAHRCJXIQWAF-UHFFFAOYSA-N;128.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92093;MM92093;CC(CCC=CC#N)=NO;CLFJCUZXNDONIC-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92094;MM92094;C#CC(C=NN=C)C(=N)N;ASRISXGTZYNVME-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92095;MM92095;CC(CNC=CC#N)=NO;IOFMYFVXBGBZHV-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92096;MM92096;C=CC=NNCC(C)=NO;MKDXZOXXHAREQV-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92097;MM92097;CC(COC=CC=O)=NO;TXVCTQMOSKBPAC-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92098;MM92098;C=C(C)C(=CCCN)CN;ULINPPWJSLEFBP-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92099;MM92099;C=CN(N=CC)C(=N)NC;HCDRLAMZZHZXGW-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92100;MM92100;CN=C(N)CC#CC=O;IZGNCOGINBGIFZ-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92101;MM92101;CC(=NO)NN=CNC=O;KUCDBCPPRZPZJA-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15492;MM15492;C=NNC=NNC(C)=NO;GCLKRBRCXYTFCV-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92102;MM92102;C=CC(CNC)CC(C)=O;LPOSDPYCZDVDPL-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92103;MM92103;CC(=NO)OCC=CC=O;NADMDAUCWAAITQ-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92104;MM92104;C=CC(CC)C(CN)NC;DMZLHGJUQIGZMU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92105;MM92105;C#CC=NNCC(C)=NO;CLRKYQTWPMYKEQ-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92106;MM92106;C=CC(C=C)C(N)CCN;WPFVJRLLTBDQNC-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92107;MM92107;CC(CCC#CCO)=NO;NNRNLCRUZNNCIK-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92108;MM92108;CCC(CN)=C(C)CCN;QUJLBWFKRQJPIX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92109;MM92109;CC#CCN=C(NN)NN;BTOUPESVVOVUIM-UHFFFAOYSA-N;141.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92110;MM92110;CC(=NO)OCC#CC=O;FFLNXRUUQSIDBZ-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92111;MM92111;CC(N)CCN;RGTXVXDNHPWPHH-UHFFFAOYSA-N;88.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92112;MM92112;CCNN(C)C=N;MBSWDCRMPYPKBA-UHFFFAOYSA-N;101.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92113;MM92113;CC(C)(C#N)NNC=N;QDJIEXVZHXQEKI-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92114;MM92114;CNC(C)C(C)N;ZAFKWADGQSJLBQ-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92115;MM92115;CCOC=CCC(O)CO;FWSYPHXSNLTRRA-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92116;MM92116;CNCC(C)(C)CN;RHVOQYGAPIWRIQ-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92117;MM92117;CCCC(=N)NC=N;IFWWLBWJVNMVDA-UHFFFAOYSA-N;113.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92118;MM92118;C=C(C#CC)NC=N;LABDSXOAGILACB-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92119;MM92119;CCC(C)(C#N)NNC=N;OFWILTCWGSFPAG-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92120;MM92120;C=CC#CCONC(=N)N;HHVZBOFBLGJHIJ-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92121;MM92121;C=CCOC(=O)NN;PLQJBTCPJQBICT-UHFFFAOYSA-N;116.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92122;MM92122;CCC(N)C(C)NC;YCZHFRJNFDFQQN-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92123;MM92123;C=C(CN)C(C)CN;WQKHLLCNIXKUGF-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92124;MM92124;COCC=COC(C)CO;QKRRMZLZTZJZLF-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92125;MM92125;CCC(=N)N(C)C=N;UZUAZHYKYWDOIF-UHFFFAOYSA-N;113.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92126;MM92126;CC(=NO)OC=CCN;GKNQFLGNSLZBAB-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92127;MM92127;CC(C=NO)(CN)CCF;XXLAHPLCUHDMTP-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92128;MM92128;CC(C)OC(=O)NN;PHHLRHSOQWTNBH-UHFFFAOYSA-N;118.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92129;MM92129;C=C(C)COC(=O)NN;PSPXVVNCDXGGTN-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92130;MM92130;CC(=CCCN)CN;QICSOIPFZIMOSX-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92131;MM92131;C#CCC(C)(N)CCF;GRNKCESNTRUPEF-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92132;MM92132;COC(=NO)NC(=N)N;KRPSGVIMMWSRDN-UHFFFAOYSA-N;132.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92133;MM92133;CC(CO)CC=CNC=O;DUJOAGZKEVJWJV-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92134;MM92134;CCC(O)CC=CNC=O;RKAIMLINCVSIIS-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92135;MM92135;CNCCCCC=NO;CFNVMMMIMLTTLZ-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92136;MM92136;C=COC=CCC(O)CO;QOBHNORLIKFWKK-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92137;MM92137;C=NNC(=O)CC(N)=NC;YCOPQAGUTVJYOJ-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92138;MM92138;CNC(C)CCC(O)C#N;KQCPPPPMARCIES-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92139;MM92139;CCC(=N)NC(C)C#N;ZRBVPXPBBCOGNF-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92140;MM92140;CCCOC(=O)NN;ABZURHNFFCKUPB-UHFFFAOYSA-N;118.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92141;MM92141;CC(CO)OC=CCC#N;DLAQGMPKDKEGTH-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92142;MM92142;CC(CF)OC=CNC=O;UNLYYRIDPXWTHJ-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92143;MM92143;COC(C)OC=CCC#N;NOPDXXFYMKSNCZ-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92144;MM92144;C#CC(C)C#CC(=N)N;HYMQFCUICBOAJO-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92145;MM92145;COC(C)OC=CNC=O;ZMJIMXKCZDSPCG-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92146;MM92146;COC(C)OC=NNC=O;ITVVFWZLTIBNIH-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92147;MM92147;C=CCCOC(=O)NN;ZLNJFPJEHLYHGV-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92148;MM92148;C=CCC(N)CNCC;VEFBTGPOSBVJKJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92149;MM92149;C#CC(O)CCC(C)NC;YPUPZLZEEVDSOI-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92150;MM92150;CC(=N)N(C)C(C)=CF;FFNOJOQNYBWKFP-UHFFFAOYSA-N;130.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92151;MM92151;CC(C)(C)OC(=O)NN;DKACXUFSLUYRFU-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92152;MM92152;C=C(C)C(N)CCNC;PZMZUXYWKZZRCP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92153;MM92153;CN(C)C(=N)C#CCF;IJRAGTBMGAMDCE-UHFFFAOYSA-N;128.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92154;MM92154;CN=CNCC(C)=NN;SOPVRCJWNFGYHV-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92155;MM92155;CC(CF)C(N)CCN;RZRBQJDJQYBARN-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92156;MM92156;O=CC(O)CC=CCCO;SSJICEWJUHRGEK-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92157;MM92157;CNC(C)CCC(O)CF;XPETZGLKUHAIRK-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92158;MM92158;C=CC=CN(O)C(=N)NC;PNYRXTREWBHZPI-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92159;MM92159;C#CCC(C)N(O)C(=N)N;RGGAYWZXTKWFFO-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92160;MM92160;CNCC(C)C(F)CF;HHPMIEJVFWJGCP-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92161;MM92161;CN(O)C(=NN)NC(=N)N;FUGWIKLPYGXXCC-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92162;MM92162;C=C(C)NC(=NC)NO;HKTXSMBWJBLUSA-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92163;MM92163;CCCC(N)C(C)NC;NZSZAPGOPUNSOP-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92164;MM92164;C=CNC(=NCC)NO;IOJOEUXTDGMHQD-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92165;MM92165;C#CCC=CNC(=N)NO;XFSVYEXHGKNMCX-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92166;MM92166;C=CNC(=NCCC)NO;GEPKGEFBUDUXEL-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92167;MM92167;C=CCC(CO)NC=NC;KVCFKICALMRCHP-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92168;MM92168;CCC(C)OC(=O)NN;YALLLIUEAPCDCY-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92169;MM92169;C=C(CO)CC(C)(C)N;YZHSDURYSPJQGM-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92170;MM92170;CC(C)COC(=O)NN;ABTXUKOYJCIDQU-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92171;MM92171;CC(=CCN)C(C)CN;SUNCJXAVBNWAOI-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92172;MM92172;C#CCC(CN)C(C)N;MVVOSIYLDVIDOR-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92173;MM92173;C=CC(CF)C(C)NC;MUSAYFZXSJOMIF-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92174;MM92174;COCC(O)C=NOC;JOLYOYWKKLEUET-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92175;MM92175;O=CN(O)CC=CCCF;ZHUIVUCZDXHVQQ-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92176;MM92176;CC=C(CN)C(C)CN;NZFKMUWWDIUDEE-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92177;MM92177;CCOC=CCN(O)C=O;IKDXQHMVFYTTHK-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92178;MM92178;CCNC(C)C(C)C(C)O;SRBWJXMAHINVRL-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92179;MM92179;COC(=CCO)CC(C)N;GCNGDBYRLOFCGP-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92180;MM92180;C=CC(CCNC)NC;VALZHKNJADYKHR-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92181;MM92181;CCNN=CCN(O)C=O;QKKOAOHCGUHUBF-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92182;MM92182;C=CCC=CCC(O)C=O;CTYATOPUBQXJIK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92183;MM92183;CC(C#N)CC=NNC=O;OVUCSSYKOFPBBP-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92184;MM92184;COCC(O)C(N)=CC#N;IHKUBALXWOGHQQ-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92185;MM92185;C=CNC(=O)C#CC=NN;DWWKOASNAPCURW-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92186;MM92186;N#CC(O)CC=NNC=O;TVLDMTSVYVTNIJ-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92187;MM92187;CNC(=NOC)C(F)CO;TVMNIKWGODNXJK-UHFFFAOYSA-N;150.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92188;MM92188;CCC(=CCCN)CN;VHMONIDIAHWUDR-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92189;MM92189;CC(=NN)OC(C)(C)CO;QAKNFDIGIYTDTD-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92190;MM92190;CNC(=N)N(C)C(N)=O;FZOSKMYXCRVLPF-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92191;MM92191;C=CCON=C(C)CO;UBPCQLNASVCMHM-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92192;MM92192;C=NOC(=NN)NO;CHPLAATWRJHGAU-UHFFFAOYSA-N;118.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92193;MM92193;CC(C)CN(O)C(=N)C=O;UVVRUFWGVVYFAU-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92194;MM92194;CC(C#N)OC=CCC#N;GPCDBMMGTFZMLX-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92195;MM92195;CC(=O)CC(N)=C(C)C#N;DHHIYIKXMAQYAG-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92196;MM92196;CNCC(C)=CC(C)(C)N;CZVBXMNUHIKESA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92197;MM92197;CC(C#N)OC=CNC=O;DRIMRARWXMSJGA-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92198;MM92198;CC#CC(=N)NCCCO;QVILEIYMFXFRPU-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92199;MM92199;CC(C=O)OC=NNC=O;WHFDQBJNPGQXRA-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92200;MM92200;C#CC(C)(N)CC(C)CN;CFGMOSPVEKHUOP-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92201;MM92201;CNC(C)CCCO;ZVYJWCYTKFZINI-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92202;MM92202;COC=C(C=O)CN=CN;HIYYPFSYTWRJRU-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92203;MM92203;C=C(C)CC(N)CNCC;OAKFFWXJVABKPK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92204;MM92204;C#CCC(N)C(C)(C)NC;RXLBLVZPEQIFLX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92205;MM92205;C#CC=NOCC(C)O;LGMXMONPXVPUMH-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92206;MM92206;C#CCC(N)(CC)CNC;BRLDDIAHBGCTBT-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92207;MM92207;N#CCC=CCN(O)C=O;LHTGHQNYKIWXKK-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92208;MM92208;C=C(CCN)CCN(C)C;FGUABVRDJZCDBP-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92209;MM92209;CC(F)CC(N)C(C)CN;RIYLPMRLMDWHEG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92210;MM92210;C=COC=CCN(O)C=O;AYFHHOAZVTWFEV-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92211;MM92211;N=C(CCC=O)NC=CF;LUVZJWOTHMLJDE-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92212;MM92212;C=NN(C(N)=O)C(C)C;JZYGHTLAXGIEFP-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92213;MM92213;CN(C=O)CC=NNC=O;ZGTSQKKHPWUMJJ-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92214;MM92214;C=CC(CNC)C(C)C=O;RYVOWUORWOITNV-UHFFFAOYSA-N;141.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92215;MM92215;CNN=CC(C#N)=CCO;KSOAGKAYLDOCHO-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92216;MM92216;C=NNCC#CC(F)C#N;XSKGHTWUKVJYGX-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92217;MM92217;O=CNN=CCN(O)C=O;AXBCMHIZSHQFTF-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92218;MM92218;C#CC(=NN)NNC(C)=N;QXSGXWJYTVAKPT-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92219;MM92219;C#CC(=N)N(N)C(=N)N;BPQDTDQKKSTKQT-UHFFFAOYSA-N;125.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92220;MM92220;C=COCONC(=N)N;ZTKDYWQTSZCXEY-UHFFFAOYSA-N;131.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92221;MM92221;C#CC(=O)C(OC)ON=C;ICLOKLLWFLEJQK-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92222;MM92222;CNN=CN=CN(N)C=O;YOJVOWOYEQGRPA-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92223;MM92223;CC(O)C#CC(=N)N(C)C;OYVGGTYNINBDOP-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92224;MM92224;CNNC(=N)NC(=N)CO;KVDFVZILRJNZCB-UHFFFAOYSA-N;145.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92225;MM92225;CC(C)NC(=N)C(=N)NN;ZTFDLWGOWKMEOQ-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92226;MM92226;C=NNC(=CC#N)CC#N;BDYISZRSUYEABD-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92227;MM92227;CNCCCONC(C)=N;ZRHROHKSWWHJSX-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92228;MM92228;CN=CN(C)C=CC=NN;XVFPYUZOWHLUGR-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92229;MM92229;C#CCC(N)C(C)C(C)N;NJLBKZKQIYWAFH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92230;MM92230;C=CNC(CO)=NC;MVWDESPNYICKMN-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92231;MM92231;C=CCN(CCC)NC=N;LZBCEAHQFAURGM-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92232;MM92232;C#CCOC(=O)NN;OHRUVUVQLSILAA-UHFFFAOYSA-N;114.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92233;MM92233;C=CC#CCOC(=O)NN;SIAFLBFUBIHVJI-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92234;MM92234;C=CCN(NCC)C(C)=N;WJFHOZGWVVEAGN-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92235;MM92235;C=CNC(=NC(C)C)NO;QPHKDPLLJARMCJ-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92236;MM92236;C=CCNC(=NCC)NO;XUTQCVNMQFFRGU-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92237;MM92237;COC(C)OC(=O)NN;VXKZWFXFZPQAHB-UHFFFAOYSA-N;134.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92238;MM92238;C#CC(O)CC=NNC=O;WOIUKTDIBJVNHZ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92239;MM92239;C=CCN=C(NO)NCC;XUTQCVNMQFFRGU-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92240;MM92240;C#CC(C=C)OC(=O)NN;LZYPKPDWLMASGA-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92241;MM92241;C=CC(CN)CC(=C)CN;XEXPNMFWKBGNJO-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92242;MM92242;CC#CCOC(=O)NN;UHSWNESAQOTKIW-UHFFFAOYSA-N;128.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92243;MM92243;C#CC(CO)CC(C)(C)N;KMWQNQMHUUDCRT-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92244;MM92244;CCOCOC(=O)NN;CHRSLUQBJZYMHC-UHFFFAOYSA-N;134.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92245;MM92245;C#CC(C)OC=CNC=O;URTPAWNVMRVBIU-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92246;MM92246;CN(O)C=NC(=N)NC=N;YNVBGIZFKBRTAC-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92247;MM92247;C#CC(C)OC=NNC=O;NCDNUGABQNSFML-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92248;MM92248;C=CC(=CC(C)CN)CN;PZUUKMRNOBSXCL-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92249;MM92249;CN(C)CCC(CN)CF;YMCDVABTMQYTRW-UHFFFAOYSA-N;148.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92250;MM92250;COCC=CCC(=O)CO;HVMXZADDIHVALI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92251;MM92251;CC=CN=CNCCO;LDTPLINOQHRPDN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92252;MM92252;C=COC(C)OC(=O)NN;GMEHSNFMTLYPJL-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92253;MM92253;CC(CN)=C(C)C(C)CN;UQDMCBGRQCZNJB-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92254;MM92254;CC(CCCF)NCCN;ZICQFGVRSUECEJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92255;MM92255;C#CC(C)(C)OC(=O)NN;CCZIDHPRQBZATM-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92256;MM92256;CCN=CNC=CCO;WXYRZGIYASCZMK-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92257;MM92257;CCNN=CCC(=O)NO;IQLGDMJQBYBKFC-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92258;MM92258;C#CC(CC)OC(=O)NN;SQFFIFGLTYMGSO-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92259;MM92259;CCCC=CNC(=O)CO;HHNZKYWTWNQOIJ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92260;MM92260;CC=NN(C)C(C#N)C#N;PKKAMIQIZWIRNL-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92261;MM92261;CCCCC(N)C(C)NC;KJPMXOHJQXWQJN-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92262;MM92262;CON=CC(O)C(C)O;WUHQFGVPEXDRRD-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92263;MM92263;C=C(CN)C(F)CCCN;HCHOZAMDNIPOLH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92264;MM92264;CNC(C)CCCNC=O;UVOJKPZUMATBQW-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92265;MM92265;C#CC(CC#CCO)=NN;UBVYGNQAVNCYOW-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92266;MM92266;CNC(=O)NC=CCOC;TUWULFUZTRLNNF-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92267;MM92267;CC(CN)=C(F)CCCN;XOKANKJREHGRHG-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92268;MM92268;C#CCCCNC(C)CN;YGURUFYSJATAKV-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92269;MM92269;COCC=CNC(=O)OC;ASLLKEOYLLHPGQ-UHFFFAOYSA-N;145.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92270;MM92270;C=CC(C)NCCCNC;OVJZDPOWLHBCKF-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92271;MM92271;CNC(C)CCCC(N)=O;WOOHYFPQOIXICJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92272;MM92272;CCC(=O)NC=NCCF;RVQDYLOQULQISY-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92273;MM92273;CNCC(CC=O)CNC;GTYSLQMCMOWPJP-UHFFFAOYSA-N;144.22;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92274;MM92274;C=CCC#CC(CO)=NN;BJHPQBDWXABELR-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92275;MM92275;CCCNN=C(CO)CO;JZTOKGHBXXZYGL-UHFFFAOYSA-N;146.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92276;MM92276;C=CN(O)C(C)=NOC=O;ODAALINYDLFMNO-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92277;MM92277;CCNN=C(CO)COC;SAMZOWRPKOUHTD-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92278;MM92278;N#CCNN=C(NO)NO;QTQKOIXVKTWOOJ-UHFFFAOYSA-N;145.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92279;MM92279;C=NOC(=NN)N(C)O;CCGPDADCKJLDAM-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92280;MM92280;O=C(CO)NN=CCCO;YUNCGLQZEDNBMR-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92281;MM92281;CN(C=N)C=COCC=O;JMQKBTCYKKLUTM-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92282;MM92282;CCC(=O)NN=CCOC;AAEIOWVZAJBMFX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92283;MM92283;CNC=NCC(C#N)OC;PKSQSVFAJYHPTN-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92284;MM92284;C=CC(C=O)C(N)=NC;HTJXWUPYZNVTOL-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92285;MM92285;CCOC=NNC(=O)CO;FEIQRGIMKOLIKS-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92286;MM92286;CC(=O)C#CC=CN=CN;ZVGMDXYHVYTMJI-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92287;MM92287;C=NNC=NCC(=N)NC;JHTTZFPPXUPZML-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92288;MM92288;CC=CC(=CN)C(=N)NN;TZLLZMVEMCABKL-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92289;MM92289;CCCC=NNC(=O)NN;BGPCCJHWOYPWFT-UHFFFAOYSA-N;144.18;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92290;MM92290;NNC(=O)NN=CCCF;MITCHJRSANYLAH-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92291;MM92291;COCC=NNC(=O)NN;KKRPDZOOTTWBSC-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92292;MM92292;CCC(C)C(N)C=NO;HMMDNMAQLMLDHS-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92293;MM92293;NCCC(C=NO)=CF;YMYRZFVHCGASPT-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92294;MM92294;CCOC=NNC(=O)NC;LHOCUJYMVIXEAN-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92295;MM92295;CCOC=NNC(=O)NN;ZNERYEPVBNZJCO-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92296;MM92296;CCOC=NNC(=O)NO;FOHOWBITCFUEIJ-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92297;MM92297;C=C(CO)OC=CCCO;BQPOXRWTKYRKCU-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92298;MM92298;C=CNC=NCC(C)C#N;LDFWXBLJVJOLAQ-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92299;MM92299;C=C(CN)CC=CCCN;RIXKKKHZXTVUQK-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92300;MM92300;CC(=CC=CCCN)CN;WKVQVAPGPLLKOE-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92301;MM92301;C#CC(N)C(CC)CNC;TXDSISLACIPUIL-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92302;MM92302;C=C(CO)OC=CCOC;UZCFNPQHMIPXTE-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92303;MM92303;COCC=COC(=O)CO;SSXLDACKKUYNBI-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92304;MM92304;C=CC(CCN)C(=C)CN;IYHUWPMWKMZMQZ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92305;MM92305;CNC(C)C(C=CF)CF;YWPZNKIRIDPKPM-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92306;MM92306;CON=CC(CO)OC;MDGJJBPPBSWLHP-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92307;MM92307;C#CC(CO)COC=NN;UYNXJVGDVYABOK-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92308;MM92308;CCOC=NOC(=O)CO;NUSXONYCXAQFMU-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92309;MM92309;CCC(=CCN)C(C)CN;IGMTWLMPBPUBJX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92310;MM92310;CC=NN=CON=CNO;PQMNLGSFYNCPLP-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92311;MM92311;C=NNC(C#N)=NC;KOWKVKNUXVRJSF-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92312;MM92312;COCC=NOC(=O)NN;GMOMFTWEJCNAJZ-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92313;MM92313;C=CC=C(CN)C(C)CN;CWAJDRONFIXPFX-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92314;MM92314;CC(C)N=CN=C(N)C=O;BPGQTXSLPQJLFY-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92315;MM92315;C=NOC(CF)CCNC;LQBJEEVRRJYWNS-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92316;MM92316;C=CCC=CCC(=O)CO;GQIDFZDOIORFSE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92317;MM92317;C=C(CO)CC=CNC=O;YJPZCZLBVNUYGC-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92318;MM92318;C=NOC(CCF)=NN;MRZAHYMTZBYWSS-UHFFFAOYSA-N;133.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92319;MM92319;CNC(=O)CC=CCC#N;FOSGGVZZYHHXDI-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92320;MM92320;C#CC(C)(C)OC=NN;SBLJYSLGBILLCC-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92321;MM92321;CC(F)=C(C=NO)CCN;QXOLNRCAMJBZGC-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92322;MM92322;CC(C#N)NN=CCC#N;PPBMBXOREAKHKN-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92323;MM92323;C#CCONC(=N)C#N;XYSWNMGDUPUAKT-UHFFFAOYSA-N;123.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92324;MM92324;NCC=CC(CN)CCF;CETHTRNXBRTULH-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92325;MM92325;CCON=CC(C)(O)CO;CMNOFQGNIQRADZ-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92326;MM92326;C=CCC(C=CCN)CN;OQYJGMJTODIIQT-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92327;MM92327;C=CCC=CNC(=O)CO;ULCZSRXYIOFIOL-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92328;MM92328;CCC(=O)NC=COC=O;SDLKRFHUHVKPAN-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92329;MM92329;C=CC(C=CCN)CCN;FVRKHFGFEUOXOX-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92330;MM92330;N#CC(CO)=C(N)NC=O;BKSZYLVZGXLJEY-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92331;MM92331;C=NN=C(CO)ON=C;XCPOUQZLFDUVIK-UHFFFAOYSA-N;129.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92332;MM92332;NCCC=C(CN)CCF;UYXGFGRFWHGZIE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92333;MM92333;C#CCC(O)C=NOC;MALWJCXTDDXPQW-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92334;MM92334;C=COC=CNC(=O)NC;FKWHYEHXSVCKPZ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92335;MM92335;CNC(=O)NC=COC=O;VUSJXEILHIHGBP-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92336;MM92336;CNCC=COC=NO;OJDTWHYOLBWWPO-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92337;MM92337;C=CCC(=CCCN)CN;REJMBZIMXLUAGB-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92338;MM92338;COC(=O)NC=CCC=O;YWUKOVJUQMVSJV-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92339;MM92339;C#CC(CO)=NNC(C)C;RNPMYLPENZTDMK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92340;MM92340;CON=C(C)CO;QLHRZVBDPAMBJG-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92341;MM92341;CCC(=O)NC=NCC#N;UQIPHEOGBPNZJQ-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92342;MM92342;CNCCC(C)C(C)=NO;RFTSFOOTCCQEGI-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92343;MM92343;O=CNN=CNC(=O)CO;JNWXGEAEHMOQPS-UHFFFAOYSA-N;145.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92344;MM92344;N#CC(=O)C(=O)CNC=N;KTXDIJVYIIGOPL-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92345;MM92345;C=C(C#CCO)CCNC;ZFKNQGCITYMIMT-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92346;MM92346;CCC(C#N)=C(N)C(C)O;JQPXSVUNNVHDOH-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92347;MM92347;CNC(=O)NC=NCC#N;JOAXAHXJRQXNAK-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92348;MM92348;C=NOC=NNC(=N)C=O;APFHIKZBKKAYFR-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92349;MM92349;CC(C)=C(CN)C(C)CN;PTFXUMQBSUHSRR-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92350;MM92350;CN(C=CC#N)CC=O;JLSHVUMTUXQPEB-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92351;MM92351;CC=NNC(=NC=O)OC;JRRZPNISEVOHIO-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92352;MM92352;COC(C)=NNC(=N)CF;XTIFZZICNGCLCD-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01971;MM01971;CCC(=O)NN=CCC#N;UIHZOIQJCBDCBL-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92353;MM92353;C=NN=C(NN)NC(=N)N;VZUDPXSQBKIWGD-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92354;MM92354;C=CCC=NNC(=O)CO;BIDIHXJPQJBRFR-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92355;MM92355;N#CCC=NNC(=O)CO;UNFVZGTUQMSRRL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92356;MM92356;N#CCC=NNC(=O)CF;XACCEZPGWOVEKM-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92357;MM92357;C#CC(CO)C(C)CNC;QDBGLGABISLDSZ-UHFFFAOYSA-N;141.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92358;MM92358;CC(CO)C(C)(C)N;YWGHLYCOBOJONY-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92359;MM92359;C=NOC=NNC(=O)CC;HGBPBHQZBHXAHN-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92360;MM92360;C#CC(C#N)OCON=C;BGZBWXHYBWIUQX-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92361;MM92361;CCNN=C(C#N)NC;HMMMFJZBSQXHEZ-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92362;MM92362;CCCNN=C(C#N)NC;UWOULBQRINLMCV-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92363;MM92363;C=CCC=NNC(=O)NN;JIHKLYQQOWXQGQ-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92364;MM92364;C#CC(=O)C(=N)N(C)N=C;ISJDWSIKZBAEHA-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92365;MM92365;CCN(C(=N)NC)C(N)=O;JVSUHNKSBYQUGU-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92366;MM92366;CC=CC(=NN)OC=NN;NZEQDUSOPKSATO-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92367;MM92367;CN(C)N=CC(F)CF;FVUICCWJOIJBGH-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92368;MM92368;C=CC=NOC(=NN)OC;KWXWMSUAJCDHEX-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92369;MM92369;COC(=O)NN=CCC#N;NWYLEFMSKRNJMN-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92370;MM92370;C=NOC=NOC=NN;MLKLVIVQBLXIKI-UHFFFAOYSA-N;130.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92371;MM92371;COC(C)(C)OC=NN;FIQWATIZMNROAC-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92372;MM92372;C=COC(C)(C)OC=NN;BQHMGVDKRXEFKZ-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92373;MM92373;C=NOC=NNC(=O)OC;AQBLYJSQAXCMNY-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92374;MM92374;O=CCC=COC(=O)CO;HXXDULAATPCBGE-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92375;MM92375;N#CCC=COC(=O)CO;YIKCGRVMQVKPCK-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92376;MM92376;C=C(CO)OC=CNC=O;VXDNKIOIYKFKID-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92377;MM92377;CC(C)C(C=CCN)CN;CVTOTDXMMYQTMG-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92378;MM92378;CN(N)C(=O)C(N)=O;JGCMHLXIXNCVHK-UHFFFAOYSA-N;117.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92379;MM92379;C=NOC(CO)=NOC;SZGHOESOISKSQW-UHFFFAOYSA-N;132.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92380;MM92380;C#CC(=NNC)C(O)CC;SPQOSCIEGKXVIL-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92381;MM92381;N=CNN=COC(=O)NO;XXNYONNZNPIUPI-UHFFFAOYSA-N;146.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92382;MM92382;CCNC(=N)N(C)C(N)=O;XPOGBAMDACRGJM-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92383;MM92383;N#CCC=NOC(=O)CO;WOOPPONJAUDZPC-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92384;MM92384;CCC(C)(N)CCO;WIKUCGJLELHSGA-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92385;MM92385;CNCCC(=CF)CC=O;MSRLPPNVMRIKOP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92386;MM92386;CN(C)C(=N)NN=CCN;RSGFPQOJZPAZJX-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92387;MM92387;CCNCCC(C=O)CC;XAKLSLCSIPFIAT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92388;MM92388;CNC(=O)ON=CCC#N;ZEBRGWJFOVSZOT-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92389;MM92389;C=CCC=NOC(=O)NO;WWMZVVBVFRQQNL-UHFFFAOYSA-N;144.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92390;MM92390;N#CCC=NOC(=O)NO;GTMDRTBUSAFSHJ-UHFFFAOYSA-N;143.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92391;MM92391;CNN=CC(F)C(N)=O;ZZHLWBLNMNCXOW-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92392;MM92392;COC(C=O)=C(N)N=CN;GZPSJJKPHHOJKY-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92393;MM92393;CC#CC(=NOC)NO;LUUSMVZRFUOUJA-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92394;MM92394;C=COC=NOC(=O)NC;SRGQFHJMRJWSIE-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92395;MM92395;C=COC=NOC(=O)NN;UJXDEFNGAQNBLC-UHFFFAOYSA-N;145.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92396;MM92396;COC(=CN)C(=N)NN;JWVFTSQRPNUQHZ-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92397;MM92397;N#CC=C(C(=N)N)C(=N)N;DIZUDDXTXVRPGW-UHFFFAOYSA-N;137.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92398;MM92398;C#CC=NOC(C)CO;QDESMQHQUJZTNZ-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92399;MM92399;C=CC(CN)CC=CCN;MVKVDSWBFNBJTA-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92400;MM92400;C#CCC=CCC(=O)NO;VOFSYABGHHINTF-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92401;MM92401;CCNN=C(NO)C(C)F;VAJMRSLUBRYHON-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92402;MM92402;COC(CC(C)(C)O)=NN;DGOPRRGTPLMMNM-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92403;MM92403;C#CCC=CNC(=O)NC;PWWUZKKTBHQOEF-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92404;MM92404;C#CCC=CNC(=O)OC;LDWSKKQKJREHHN-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92405;MM92405;C=CC(C=CCNC)CN;QVFQHZHTGLAKDK-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92406;MM92406;CCC(=NN)ON=CNO;KDQCXWGZJJDEAP-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92407;MM92407;CC(N)=C(C#N)CC=O;MHUCLXXRIYUJKW-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92408;MM92408;C#CCC=NNC(=O)CO;VEAUFQAJSPXRGR-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92409;MM92409;C#CC(=O)C(=NNC)NC;FKBWXFYZMXMCNZ-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92410;MM92410;CC(=O)C=CC(C)N=CN;UKWLYHPVTNYDJB-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92411;MM92411;C=C(C)C=NNC(=N)C#N;QWBVSSFSLYIAMA-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92412;MM92412;C#CCC=NNC(=O)NN;UPPBAZHCQCXYLY-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92413;MM92413;NCCCC=C(CN)CF;PDKSVFFUZOFMCQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92414;MM92414;CNCCCC#CC(C)=O;CARDLGAFLKZMIT-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92415;MM92415;C=CC=NNC(=N)C#N;IAIWEKZJZGTOKF-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92416;MM92416;C#CCC=NOC(=O)NN;MQEAVWBWXZPYSC-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92417;MM92417;C#CCC=NOC(=O)NO;GBPUCNZTXQJEEP-UHFFFAOYSA-N;142.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92418;MM92418;N=CNC(=N)C(=N)N;VOBWBIHQPULELZ-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92419;MM92419;CC=C(CN)N(C)C=NC;ROEONAQJWKICTE-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92420;MM92420;CC1CC1(C)N;FVVGXRJNWIYMNJ-UHFFFAOYSA-N;85.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92421;MM92421;C=NN=C(NCC)OC;DVIHNGUSNHWDBS-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92422;MM92422;C=CC(=O)NC=CCCO;JZCCQLUUARCHES-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92423;MM92423;N=CNN1CC1;QVFSNNJRGMFGQJ-UHFFFAOYSA-N;85.11;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3";;;;;;;-1.53;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92424;MM92424;N=C(N)C#CCN;XRZMOZVKQMZNGQ-UHFFFAOYSA-N;97.12;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92425;MM92425;COCC=CNC(=O)C#N;YVRPETXKXGUACN-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92426;MM92426;CNCCCOC;HJELPNLGHMWKQT-UHFFFAOYSA-N;103.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92427;MM92427;CC(C)NCCCF;MTIJXHYJMIVUCO-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92428;MM92428;CCOC=CNC(=O)C=O;HQORNHUEQOLHQV-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92429;MM92429;CCOC=CNC(=O)C#N;HJPOMBDLHDBEFT-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92430;MM92430;CC=COC=NN;OVZAZTPUARSICU-UHFFFAOYSA-N;100.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92431;MM92431;C#CC=C(CC#N)NC=N;SUYJTCMFOFGEEO-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92432;MM92432;N#CC(=O)NC=NCCO;ZWFPIGYETRVUJY-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92433;MM92433;N#CC(=O)NC=NCCF;MYTFALCDQMJZPL-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92434;MM92434;N#CCONC(=N)C#N;IAQFFRQSXOXGFA-UHFFFAOYSA-N;124.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92435;MM92435;CCNN=CNC(=O)C#N;RDHFPYNTRRCXIE-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92436;MM92436;CC(C#N)C=NNCC#N;XAQMGTWBEAKZHC-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92437;MM92437;CN=CC=CNOCC#N;LGVNDPKGFFZEHY-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92438;MM92438;CCON=CCC#N;SCZQXJPYEVJDFC-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92439;MM92439;C#CC(O)C=NNCCF;SAAZIACEISMELI-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92440;MM92440;C=CNC(=O)C(=O)N(C)N;SUJWJDLVESCZBD-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92441;MM92441;CNCC(C=CF)C=NO;UWMKMDLWCWTZAH-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92442;MM92442;C=CC(=O)NN=CCCO;GNGQHEWEYCNYQS-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92443;MM92443;N#CC(=O)NN=CCCO;KTTOGLRULADONU-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92444;MM92444;CCON=CC(O)CO;RADLIGPEVGKQBS-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92445;MM92445;CCC(CCCNC)=NO;NGPSKBKPCFUEIY-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92446;MM92446;C=CC(=O)NN=CCOC;NHMFRFWQSRPWOL-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92447;MM92447;COCC=NNC(=O)C=O;PEAUXEQTMVBGFQ-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92448;MM92448;CN(C)C=NCC(O)C#N;STBRSHYFWGDJDZ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92449;MM92449;CCNCCCC(=O)CO;FUKNINIZJNWRGW-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92450;MM92450;C=CNC(=O)N(C)N=C;KGDWSSYSRAYARQ-UHFFFAOYSA-N;127.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92451;MM92451;CCOC=NNC(=O)C=O;PCFXIVPLGICBOW-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92452;MM92452;O=CC(=O)OC=CCCO;BMXIMGAOQRHNCF-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92453;MM92453;N#CC(=O)OC=CCCO;OFCWAYSTELJRQC-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92454;MM92454;NC(CCF)CCF;XKGBKIQADWNOFD-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92455;MM92455;COCC=COC(=O)C=O;XIXLSOSPQOJQEL-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92456;MM92456;COCC=COC(=O)C#N;LENADOCDXPAXDY-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92457;MM92457;CC=C(NC=N)N(O)C=N;JHEMVIUILOHIFV-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92458;MM92458;CNCC(C)C(C)F;IHWYNSSDBVJDJG-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92459;MM92459;CC(NC=N)C(F)F;YORPVXXDZOWSHH-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92460;MM92460;C#CC(=C)N(C)C=N;NWDPYSYAENCMIO-UHFFFAOYSA-N;108.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92461;MM92461;C=CC(=O)CC=CNC=O;ZQCTUWPISWKJQY-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92462;MM92462;C=NN(C)C(=O)NC;VZLPWZKNBSXSJZ-UHFFFAOYSA-N;115.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92463;MM92463;CN(O)C=NC(=N)NO;PEBCOFIAKAKXDH-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15940;MM15940;N#CC(=O)CC=NOC=O;HIYUHJHZVKWLMR-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92464;MM92464;CC(C=CCN)CN;RTSAHAJLDHRVSP-UHFFFAOYSA-N;114.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92465;MM92465;CC(=NN)OCC=CCO;QLNXESHSZDSYRL-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92466;MM92466;N#CCC=CNC(=O)C=O;DLIOHYHVWWBMEB-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92467;MM92467;N#CC(=O)NC=CCC=O;XIWBZQGTYVWSLS-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92468;MM92468;N#CCC=CNC(=O)C#N;QGUPKTHTCAICCM-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92469;MM92469;C=CC(C=C)NC(=N)NO;SFMYEBNKNFIGSD-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92470;MM92470;C=COC=CNC(=O)C#N;NUOVCXMJNHPTNJ-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92471;MM92471;N#CC(=O)NC=COC=O;YLSNBJWVJGRDOY-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92472;MM92472;CC(C)(OC=NN)C(N)=O;PBGCNHIFBTVAIF-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92473;MM92473;CC(N)CC(C)OCCO;ZUOXATWFBFLASI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92474;MM92474;C=NOC(=N)NN=COC;FQUPZUVDHJADIF-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92475;MM92475;C#CC(C=O)C=NOC;LIOWJWLFQBPJGN-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92476;MM92476;N#CCN=CNC(=N)C#N;NDANJKKWNXZGRW-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92477;MM92477;C=CC(=O)NC=NCC=O;AZCKHRYHFKHZGI-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92478;MM92478;N#CC(=O)NC=NCC=O;QEPWMPIWDGGSCP-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92479;MM92479;N#CCN=CNC(=O)C#N;BLXQVHXRTQDKHE-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92480;MM92480;C=NN(C=NN)C(=C)OC;VAAXTEXTLLVUNW-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92481;MM92481;COCCC=NOC=NN;KWCNOASYXHODGW-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92482;MM92482;CC(=O)C=CC(C#N)=CN;FHDDVISTSNEYMA-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92483;MM92483;N#CC(=N)NC=NNC=O;SUXFOWYCQISRDP-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92484;MM92484;C#CC(=NN)C(O)C(=C)C;QPYWKKURNRUDBH-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92485;MM92485;C=CC(CO)CC(C)NC;UBEXXZSMMLCOMY-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92486;MM92486;N#CCC=NNC(=O)C=O;RVZOESQUYRDWCQ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92487;MM92487;N#CC(=O)NN=CCC=O;YETPUWCZUPEKTI-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92488;MM92488;N#CCC=NNC(=O)C#N;UYPBMMXRBZVQJP-UHFFFAOYSA-N;136.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92489;MM92489;CON=CC(O)C=NOC;KPNBYONODDDLBR-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92490;MM92490;CC(N)CC(F)CCO;SYSKSTCNCMSNCO-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92491;MM92491;COC(CCO)CC(C)N;QBXVWZUPAVBWOQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92492;MM92492;C=COC=NNC(=O)C#N;GUDWBLOYILAKCR-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92493;MM92493;C=C(CCNC)CC(C)=O;PVACQBHOUTYWIX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92494;MM92494;C#CC(C=NOC)C(N)=O;URHWNHFWBLDYPL-UHFFFAOYSA-N;140.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92495;MM92495;C=NOC=NNC(=O)C#N;KIPUEJDZMJVVLD-UHFFFAOYSA-N;140.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92496;MM92496;C=CC(=O)OC=CNC=O;AVMYRFJNCGJLQN-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92497;MM92497;O=CNC=COC(=O)C=O;GINMVTZAYVHIOT-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92498;MM92498;N#CC(=O)OC=CNC=O;NSQKRFOXLYPPHM-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92499;MM92499;CCCN(C=N)CC=O;BIQKONNRLQCDOX-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92500;MM92500;CNC(C)CC(C)NC=O;VREFMOOWSRHYGF-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92501;MM92501;C=C(C=O)OC=NNC=O;CBKFYRRPMKTQBH-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92502;MM92502;N=CNC(N)=NC(=N)NN;GUBVPDUTAWSAKH-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92503;MM92503;CN(C)C(=N)CC#N;HEKNNKLQEFMKFE-UHFFFAOYSA-N;111.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92504;MM92504;C=C(CC=O)CCNC;ZPGLCGSXLIJFNT-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92505;MM92505;N#CC(=O)OC=NNC=O;KEMDIXZXZGFYLC-UHFFFAOYSA-N;141.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92506;MM92506;CC(N)C(CF)CF;QZDPGJBBNLTJLS-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92507;MM92507;CNN=CNC(=N)N(C)N;IXHZUBMTFOIQJX-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92508;MM92508;C#CCNC(=NN)NC;UVNDXVDKXNCQNN-UHFFFAOYSA-N;126.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92509;MM92509;C#CC(=NN)C(C)(C)O;AMOWUKQAVYVQCY-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92510;MM92510;C=C(CO)C(C#N)=C(C)N;KTKBTFQTBFQAHD-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92511;MM92511;CCN(C=N)CC(C)=O;BRSAEAKUAHUNBU-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92512;MM92512;CNCCCOC=O;MZVKMOAZONWJQD-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92513;MM92513;N#CC(=O)ON=COC=O;IZEWRGDFUBODGT-UHFFFAOYSA-N;142.07;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92514;MM92514;C=NOCCCNC;QNQTYQMKMUSCNU-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92515;MM92515;COCC(F)=CC(=N)N;ZGJMLDJZJCBYLC-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92516;MM92516;CCC(C)(CN)CNC;LHRLNABZSYMGHZ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92517;MM92517;CC(=CC(C)CN)CN;TVYMUHQBNBJJDE-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92518;MM92518;C#CCC=CNC(=O)C=O;VKICMWYRTLJQAG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92519;MM92519;C=CCCC(N)CCN;ADCCLBGEBYLZPR-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92520;MM92520;CNCCC(C)OC=O;REPIZNRGCAXPKL-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92521;MM92521;C=NOC(C)CCNC;GNVGDUFBWWNFHT-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92522;MM92522;C#CC(CO)C(N)=CC#N;KANSJKSKSGTSEL-UHFFFAOYSA-N;136.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92523;MM92523;C#CCN=CNC(=O)C=C;QXNAVXNWQIFRFO-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92524;MM92524;C#CCN=CNC(=O)C#N;GLEWBGSIACWRPO-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92525;MM92525;CC(C=CCN)CCN;SYGMSUONUHQEOQ-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92526;MM92526;C=CC(=NN)ON=CNO;ULAWDWVGJGTLJE-UHFFFAOYSA-N;144.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92527;MM92527;C#CC(=O)NC=CCCF;MVYNWKHNHSBSJQ-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92528;MM92528;CC(=CCN)CCCN;TXNAQTUCVIGMPJ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92529;MM92529;C#CC(=O)NC=CCOC;CYLQKLUZHWPSPR-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92530;MM92530;CC=CC(N)=CC(=N)NN;DEFIDSRKAYFPTG-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92531;MM92531;C#CC=CN(N)C(C)=N;XDCFALBMBGZZNY-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92532;MM92532;C=CC(N)=C(C)C(=N)NN;ILAVUVBAAHFOFF-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92533;MM92533;C#CC(=O)NN=CCOC;ACXSJWISQVJKOU-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92534;MM92534;CCONC(=N)NCCF;DFBBFERSJYCKSK-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92535;MM92535;C#CC(=O)NN=COCC;WOXVYEKPTRFFHB-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92536;MM92536;C#CC(=O)OC=CCCO;RUKRUZUWRILPQZ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92537;MM92537;CC(CN)C(N)CCF;CUBFYOZXTTVKTL-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92538;MM92538;C=CCC(N)C(C)NC;HMTAJRNQAIYGCR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92539;MM92539;CNCCC(C)=CC(C)=O;PXJOSKPPGICQFI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92540;MM92540;C=C(CN)C(C)CCN;OZSDNCFBUDGRDS-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92541;MM92541;C#CC(=O)CC=NNC=O;AXFLECJXEBGYLY-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92542;MM92542;CCCC(N)C=NO;RUHQWCSROMMYTF-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92543;MM92543;CNCC(CF)CCF;KEBTXEXUOXHOAZ-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92544;MM92544;C#CC(=O)NC=CCC=O;NWSVLWXANUSHOC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92545;MM92545;CC=C(C=NO)CCNC;BVTJSVMVAPUHEA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92546;MM92546;C=CNC(=NO)NC(=N)N;ZAHHKVIEUBIUJH-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92547;MM92547;COC=NNCCC=O;UBPUYKLTHBKDQG-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92548;MM92548;C=C(C#CCO)CC(C)N;XBXSDYUZCCABFC-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92549;MM92549;C#CC(O)CC(C)CNC;LFXFFLICXRMSHP-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92550;MM92550;C#CC(=O)C(=N)NN=C;PWJAZEPUCQNHNU-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92551;MM92551;C#CC(=O)NC=NNC=O;LBYHFTNQNNJBQO-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92552;MM92552;C=NOC(C=O)=NNC;XVKGCINEVPEGBF-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92553;MM92553;C#CC(C)(C)NN=COC;KLQJSUVDBMRXDM-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92554;MM92554;C=NNC(C#CCF)=NN;WAZPMATUZYDOIM-UHFFFAOYSA-N;142.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92555;MM92555;C#CC(=O)NN=CCC#N;UYKZWGOFGFRAHV-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92556;MM92556;C=NN=C(NN(C)C)OC;HDSKVTCMPBNSGW-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92557;MM92557;C#CC(=O)NN=COC=C;DGSFZNASNKZVKD-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92558;MM92558;CN(C)C(=N)C#CCO;OLVSWVUHSKTMRC-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92559;MM92559;C#CC(=O)NN=CON=C;SXIGODZBVSCCLN-UHFFFAOYSA-N;139.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92560;MM92560;C#CC(=O)OC=CCC#N;NAIBUJMBUGKHPI-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92561;MM92561;C=CCC(CN)C(C)N;XFDIQBPWFHYLMC-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92562;MM92562;C#CC(=C)OC=CNC=O;YELPMVADLOZJHK-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92563;MM92563;C#CC(=O)OC=CNC=O;RMNCPLJVSLNELR-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92564;MM92564;C#CC(=O)OC=COC=O;ILEZVHHEBDKIGM-UHFFFAOYSA-N;140.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92565;MM92565;CNN=COCOC(C)C;GOBIDZBNESJQJT-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92566;MM92566;C#CC(=C)OC=NNC=O;YCEMSJUQFUQOFB-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92567;MM92567;C#CC(=O)OC=NNC=O;MXRGVVLKJCQBRQ-UHFFFAOYSA-N;140.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92568;MM92568;CCCOCOC=NNC;SKUAKIDCGWQOFD-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92569;MM92569;C=CCOCOC=NN;UBFKXBMVFQNFFE-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92570;MM92570;C=CC(CN)C(N)CC;ZWPWWTIPIMJWET-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92571;MM92571;CC=C(CN)CCCN;ROVWSFZXYOUNIK-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92572;MM92572;C#CC(=O)ON=COC=O;YXXWAVWVLLKVSY-UHFFFAOYSA-N;141.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92573;MM92573;CC=C(CN)NC=NC;PWIIRACKWXHMGT-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92574;MM92574;CCC(C=CCN)CN;ILHGPOBPKXGOAD-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92575;MM92575;CC(C)(N)CCC(O)CO;RNYBFUCAIJGEFL-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92576;MM92576;CC(=CCF)NC(=N)CO;HOTFALBQPKZNFD-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92577;MM92577;CNCCCOCOC;BIGADHRFBBMMIZ-UHFFFAOYSA-N;133.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92578;MM92578;C#CC(COC=NN)=NN;COUQEKABEACBTD-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92579;MM92579;COC(C)OC=CC=NO;BLUFIUNYQDRVGJ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92580;MM92580;CNCCCOCC#N;WFRWKAGADHQTJW-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92581;MM92581;CNN=CC(C)(C#N)OC;IJOIMYARSQJZQM-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92582;MM92582;COC(C)ON=CC=NO;WOFCOCVLIOAHQP-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92583;MM92583;N#CC(O)CC=CC=NO;ZFRUEQSFRWRRAO-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92584;MM92584;CC(N)CCOC(C)CO;QQVALKILTLLBGY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92585;MM92585;CC(C#N)NC=CC=NO;VKAOQZXXBKULOJ-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92586;MM92586;C=COC(C#N)C=NNC;NCAJCRXEJOAXTD-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92587;MM92587;C#CCCNC(=NC)NO;HUAIRNNMIWHVHB-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92588;MM92588;CC(C#N)N=NC=CNO;NGNGYWBQDCAJBK-UHFFFAOYSA-N;140.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92589;MM92589;CC(C=O)OC=CC=NO;XRRFWRAPDHVDRN-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92590;MM92590;CC(C#N)OC=CC=NO;MODOTTXBTRRGRU-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92591;MM92591;C#CCCN=C(NC)NO;HUAIRNNMIWHVHB-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92592;MM92592;CNC(CCF)C(C)(C)N;GHEKWBJWWRTMMH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92593;MM92593;CC(C=O)ON=CC=NO;PTSYMHYSMMSQOA-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92594;MM92594;CC(C#N)ON=CC=NO;WCLMYPPQDZDNAF-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92595;MM92595;CC(C)NCC#CC(=N)N;HUKCLRRRKOZIPX-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92596;MM92596;CC(=N)NC(=N)CCCF;BGYTWJZYCQAFPD-UHFFFAOYSA-N;145.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92597;MM92597;CN(C=O)CC=CC=NO;FMFVZLZVLDLBNC-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92598;MM92598;CCCC(C)(CN)CNC;ZRPQDDKJKFPHHB-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92599;MM92599;C=C(C)CCC(N)CCN;QKUVILXLWGZRJC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92600;MM92600;CC=NN=CCN(O)C=O;IQLGOGZKYLJDSR-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92601;MM92601;CC(N)CCOCC(C)O;TVANKXLXNNQZNY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92602;MM92602;CC(C)(C#N)NC(=N)C#N;OCAUEDTYUZWAEX-UHFFFAOYSA-N;136.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92603;MM92603;C#CC(C)NC=NC=NO;VWBYHAGBDJYNRG-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92604;MM92604;C#CC(N)CCNC(C)C;XOGFYFGKOFAFAN-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92605;MM92605;CC(=O)C(C)C#CC(=N)N;GCGHTVVROUKNRW-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92606;MM92606;C#CC(C)NN=CC=NO;MUJLJEPGOLLDKD-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92607;MM92607;COC(=O)CC=CC=NO;VEJWFWHAJFCKBM-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92608;MM92608;CC(O)(C#CCF)C=NN;UQPPGLUOXPQUSV-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92609;MM92609;C=C(CO)NC=NC=NO;UWHLJLCHDBJJHS-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92610;MM92610;C=NOC(=NNC)C(N)=O;ATTZGDUHWMSGQK-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92611;MM92611;C=NOC=NOC(=O)NC;MRXKSPUWZIPEKS-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92612;MM92612;CC=NN=CNC(=O)CO;KVRXIELJYLMKAI-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92613;MM92613;NN=CC#CC(F)CO;AWMJVLFMNBNNCP-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92614;MM92614;CNC(=N)NC=NC=NO;XBXLBJOSHMNFGP-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92615;MM92615;CC(C)(O)C(CO)=NN;XFBTYECVFCCWBR-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92616;MM92616;CCCNN=COCC=O;FOWJDJYRIDZXGA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92617;MM92617;CC=NN=CNC(=O)NC;SCDUJUQTKHXXSJ-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92618;MM92618;CC#CC(=NOCC)NO;VJNHLWCGKULPPX-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92619;MM92619;C#CCC(CO)OC=NN;YIMAMMWOWPPKIZ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92620;MM92620;C=CC(O)CC(C#N)=CN;PGWJDGOOHIJXJH-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92621;MM92621;C#CC(=CC=NC)NO;FHIRIBXGLYDSEV-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92622;MM92622;CNCC(C)C(C)C(C)O;RNRMNRFRYPIHPY-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92623;MM92623;CC(N)CCOC=CCO;MLLMSGGDOLLKGW-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92624;MM92624;N=C(CF)NN=CC=NO;WENNQBWUEWJERU-UHFFFAOYSA-N;146.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92625;MM92625;C=COCC(=O)N(C)N=C;YYOLPKCQPAKPSG-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92626;MM92626;CC(N)CCOCCCO;HRCOUUYKLMTGML-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92627;MM92627;C=NN(C)C(=O)C(=C)CO;IFSRKOCQBYAODT-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92628;MM92628;CNCC(C)CCO;AAHWWTCYRIHDHR-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92629;MM92629;COC(=O)NN=CC=NO;OVRUXYVJYNTINI-UHFFFAOYSA-N;145.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92630;MM92630;N#CC=C(N)C(CO)CO;VSAQWKQNPNOMRH-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92631;MM92631;CC(C)(N)CCCO;PUCFHKBOPVGLPI-UHFFFAOYSA-N;117.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92632;MM92632;C#CC(=C)N=CNC(=N)N;VWGXAIJGHPIYPG-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92633;MM92633;COC(=O)OC=CC=NO;FCUPNHKGVFIJCD-UHFFFAOYSA-N;145.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92634;MM92634;C=CN(C)C=NCC(C)N;SRSPRWQDXAZWFI-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92635;MM92635;CC(CF)CC(N)CCN;RUKZRTQJNJLTTC-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92636;MM92636;C#CC(=CCO)CC(C)N;QGMXOVPRPQGMSO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92637;MM92637;O=C(CO)ON=CC=NO;MYNIUUYWKYMGIQ-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92638;MM92638;CN=CNCC(F)C(C)=O;UADRQRRDHXKXHB-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92639;MM92639;CC(C)(O)CC(C#N)=CN;ZIMZVOHYKQCGFX-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92640;MM92640;CON=CC#CCCO;KHZUCNYSFVAUPC-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92641;MM92641;CCNN=COCC(C)=O;XYKCWTWWJBCJDZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92642;MM92642;C=CC(C)CC(N)CCN;XDURDUFVFVMKOL-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92643;MM92643;CCC(C=O)NN=COC;ZEPRRVCOQLIWPE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92644;MM92644;COC(=O)ON=CC=NO;NMIMBYFPDNGDBB-UHFFFAOYSA-N;146.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92645;MM92645;C=CNC(C=O)=NNC;BKFLWUMENCUVPM-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92646;MM92646;NC(C=O)=NC=CC=NO;RUXWLVVPIUALSL-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92647;MM92647;C=C(C#N)NC=NC=NO;GKROQFLFAYIAGY-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92648;MM92648;CC(=N)NC=C(F)CC=O;QCOJAISMTGQLLV-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92649;MM92649;COC=NNC(C)C(C)=O;YGYJOENTUCLYLW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92650;MM92650;CC=NN=CNC(=O)C#N;GRVCHRFUJRQLHZ-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92651;MM92651;C=NNC(=NOC)OC=O;JZGNUTVTTBNXLY-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92652;MM92652;C=NNC(C)(C#N)C#N;DYFUXNGOWJFZIB-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92653;MM92653;CC(C#CC(=N)N)C=O;ZFIYWMRQQALSTN-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92654;MM92654;N#CC(=N)NN=CC=NO;JESDJXXDBLFDGV-UHFFFAOYSA-N;139.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92655;MM92655;C=C(C=O)OC=CC=NO;YBNXQWMUHCAERA-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92656;MM92656;N#CC(=O)OC=CC=NO;KXIYXUOLNBVDSF-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92657;MM92657;C=CNC(CC=O)=NC;VRVTVBWBGKXKPF-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92658;MM92658;CC(CN)CC(F)=CCN;ZIINATBEHHJTBG-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92659;MM92659;CCC(C#CC(=N)N)C=O;MMXWOLCFYPIGIH-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92660;MM92660;CNC(C)CCC=O;ZBMLKARIMYNKTL-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92661;MM92661;C#CC(=C)NC=NC=NO;LCNXUESHSMUCTO-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92662;MM92662;C=NOC(=N)NC(=N)C=O;LVQFTCSBVKARNQ-UHFFFAOYSA-N;142.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92663;MM92663;CCOCOC=NN;AGQBDYOHJZBNKR-UHFFFAOYSA-N;118.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92664;MM92664;C#CC(=O)NC=NC=NC;IHGHCZHLUDMJLO-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92665;MM92665;CC=CN=C(N)CC(C)=O;XCTQBGXQYUPLEM-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92666;MM92666;C#CC(=O)OC=CC=NO;LQSRTBVCCMWOJG-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92667;MM92667;CCC=NNC(=N)N(C)C;PHGVOSXGIUYSJJ-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92668;MM92668;CC#CC=CNC(=O)CO;AXUWUTWFGKMOFD-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92669;MM92669;C=C(C)OCOC=NN;RXTXAQQGQUPBMC-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92670;MM92670;CC=COCOC=NN;IDVHOPDPLDROHK-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92671;MM92671;CC#CC=CNC(=O)NO;FNGRGZZSOCUVJL-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92672;MM92672;C#CC(N)=CC(=NN)OC;BOOGPXJUWUUCIW-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92673;MM92673;C=CCNC(=NN)N(C)N;GIHJMLBQHMDWFS-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92674;MM92674;C=NOC(=O)C=C(C)N;RLSIGINNBXRCRX-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92675;MM92675;C=NOC(=O)C=CNC;WKMWIERTTZLVOE-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15394;MM15394;CC#CC=NNC(=O)NC;YZUYGOZFNSPRPY-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92676;MM92676;CC#CC=NNC(=O)NN;CQLWESZEPITLNI-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92677;MM92677;CC#CC=NNC(=O)NO;VPUXBHWXHRGZAF-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92678;MM92678;CC#CC=NOC(=O)CO;QCQSRNHMGCRRKY-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92679;MM92679;CC(=O)C(C)N(C)C=N;VXAUNBAGRMHZSQ-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01854;MM01854;CC(CC=CCCF)=NO;DQSDGFFTTLQHIW-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92680;MM92680;CC(=CC(C)CCN)CN;NTBDVQMKXXTZRX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92681;MM92681;C#CCC(CC(C)N)NC;WQZKLQYTFXSRQD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92682;MM92682;N#CC(=CN)CC(O)C#N;ALAXLLVLFCPJQG-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92683;MM92683;C#CCNC(=NN)NCC;MWKPVRANADFWNR-UHFFFAOYSA-N;140.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92684;MM92684;C=CNC(=O)N(C=N)C=N;BOALSTFXZORVCI-UHFFFAOYSA-N;140.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92685;MM92685;CNN=C(COC)C(C)O;DPNMVVICTVYLQQ-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92686;MM92686;C=C(OCC)C(CO)=NN;CLAKHMHSZQQXNX-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92687;MM92687;C=CC(C#CC(=N)N)CF;JFXJVPKHHDDHLA-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92688;MM92688;N=CNC(=N)NC=N;GIYYASNIWYSYSG-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92689;MM92689;CC(=NO)OC=CCCO;IJDBPHSTUPKWML-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92690;MM92690;C#CC(=O)CCC(C)NC;JCBNXUDKLVVMEI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92691;MM92691;CC(=NO)ON=CCCO;HYIFCNRXRSTGCE-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92692;MM92692;CCOC=NOC(C)=NO;YAAHUIMNXKEAQM-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92693;MM92693;C=NOC(=O)CCC(C)O;LOYNIMVBFIQFBT-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92694;MM92694;CC=NOC=NNCC=O;ATDIJXVBGSGMBO-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92695;MM92695;C=CC(CNC)CN(C)C;KGAQEMFEQIWCAF-UHFFFAOYSA-N;142.25;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92696;MM92696;C=CN(C)C(C=O)=NNC;HNIBKIXQRWSWGL-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92697;MM92697;CC(N)CCON=CCF;UUHRKZLXRIZFPY-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92698;MM92698;N#CCCNN=CCF;MRIOLSHFSCQMLU-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92699;MM92699;CC(=NO)NN=CCC#N;HAOKCDDYFANVRB-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92700;MM92700;C=C(C)CC(CN)C(C)N;JCOSIBMMOSHPNI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92701;MM92701;CNC(C)CCC(C)=O;QWIDZWGWRUZPJG-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92702;MM92702;C=COC=NNC(C)=NO;FWNZKCIPZQLJAH-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92703;MM92703;C=NOC=NNC(C)=NO;RGPQYSCVOKZGSU-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92704;MM92704;C=C(C)OC=NN;SCUGUJHOGSAAPC-UHFFFAOYSA-N;100.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92705;MM92705;CC(=CF)OC=NNC=O;QUTSFPWXSSVFRO-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92706;MM92706;COC(N)=CC(=NN)OC;DOXPEQZEGBTHPO-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92707;MM92707;CC(=NN)OC=NNC=O;OXMVGFHAMRESEW-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92708;MM92708;CC(=NO)ON=CCC=O;JTWAQFIBBKBGIG-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92709;MM92709;C=COC=NOC(C)=NO;VYKGMWSSUNWVHY-UHFFFAOYSA-N;144.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92710;MM92710;C=NOC=NOC(C)=NO;BXWRYNRLJQPJMO-UHFFFAOYSA-N;145.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92711;MM92711;C#CC(=NN)C(F)C=NN;KJPZCWDJHIBUEH-UHFFFAOYSA-N;142.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92712;MM92712;CC(=O)C#CC=NN(C)C;WKKAMNXMFWOJHO-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92713;MM92713;N=C(N)NC(=N)C#CCN;QJBAAPSYGXFTGD-UHFFFAOYSA-N;139.16;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92714;MM92714;CN=C(C)NC=NC=NO;YQRRKAFSTNNPEF-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92715;MM92715;CC(=NC=NC=NO)NN;LSPMIDUHFISWNN-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92716;MM92716;C=CCN(OCC)C(=N)N;XEKISRFROUNSPZ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92717;MM92717;C#CC(F)C(C)(N)C(=N)N;RTPUKSPXMMYNSO-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92718;MM92718;NCC(=CF)CC=NO;UHJCFWVZQLYCRR-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92719;MM92719;CC(N=NC=CNN)=NO;ZYQLHSIFWOYWOR-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92720;MM92720;CC(=NN)OC=CC=NO;VGXXFUNOWAAHAU-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92721;MM92721;CC(=NO)OC=CC=NN;WYMMIVOPWAUAMN-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92722;MM92722;CC(=NO)OC=CC=NO;HXZFESBMVSQDNV-UHFFFAOYSA-N;144.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92723;MM92723;CC(=NO)ON=CC=NN;CTJBGFRNCVGBKQ-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92724;MM92724;C#CCCNCCC(C)N;MGIRDNSWVMPDIP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92725;MM92725;C=NOC(=O)C(C)=CN;WPBLDRQRVMRMJO-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92726;MM92726;CNCCCON=C(C)C;MPITYJXQKYVUJC-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92727;MM92727;OCC(O)CC#CCCF;LDOOKSJQVPZZLF-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92728;MM92728;OCCC#CCC(O)CF;FZDBXNRGZKRQOI-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92729;MM92729;COCCON=CCC#N;ORWCENHZNGDCKH-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92730;MM92730;CC(=CCN)OC=NO;CFZKOCHBBPQCBA-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92731;MM92731;N#CCC#CCC(O)CO;WSOCAVMSFYZPFR-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92732;MM92732;C=NNC(=NCC#N)OC;MJUGUCYZWVJMEI-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92733;MM92733;C#CCC#CCC(O)CO;VGPAIANUFLHCJC-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92734;MM92734;CC(CCN)NCCCF;BYSUSSKFSBKBTQ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92735;MM92735;C=NOCC(O)C#CC#N;NANSWDFFLMATDY-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92736;MM92736;C=CC(O)CC#CCCO;NXYBKCROKQWGQJ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92737;MM92737;N#CC(F)CC#CCCO;LFXYNBKWYAFZRO-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92738;MM92738;CNCC(C)C#CCCN;ZDSTWNJZMNXRDF-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92739;MM92739;COCC#CCC(O)C#N;BARURLAEQLYTOF-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92740;MM92740;CN(C=O)CC#CCCO;OOZFNTRNBGQHBU-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92741;MM92741;NCC=C(F)CCCCN;ATJHYEBXQALPBO-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92742;MM92742;C=C(C=COC=NO)CN;QZUDLVDKGPUZRC-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92743;MM92743;C#CC(=O)C(C#N)NN=C;JMMQYSCFGQNURK-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92744;MM92744;CC=NOC(C=O)OC=O;BBSBCBZMIGZTKW-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92745;MM92745;C=NNC(C)C(C)CNC;KTFPXZBKNIBHSF-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92746;MM92746;CC(=CCN)C(C)CCN;DHSKSLBNBNPKES-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92747;MM92747;CC(N)C(C)C#CCCN;YCMHSHLHZVYFOJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92748;MM92748;CCNC(CCN)CCF;QPIUEZSBOKEIRT-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92749;MM92749;CN=C(CC(C)=NO)NN;MGIKTKDJFCKGNJ-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15955;MM15955;N#CCC#CCC(F)C#N;HMGUNCCEYNGJFA-UHFFFAOYSA-N;136.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92750;MM92750;NCCCC(C=NO)CF;NWXXVFWFZJNSAX-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92751;MM92751;CCOC(CCN)CNC;SHABYKWPDKPPQF-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92752;MM92752;CCC=NOC(CO)=NN;MWUXGFPNPCXOGT-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92753;MM92753;C#CCC#CCC(O)C=O;PEZHRRZRZFLZOO-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92754;MM92754;C#CCCC(C)(CN)NC;SMGYSYKZHMATOY-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92755;MM92755;C=CN(C=N)CC(F)C#N;CJFOFNGKRFZFCD-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92756;MM92756;C=C(CCN)OC=NO;KBPHUDQPFGLYQP-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92757;MM92757;C#CCN=C(NO)ON=C;PBWDOHNIYCKSMP-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92758;MM92758;CC(CF)CON=CCO;MTJIAFHGJOOHIB-UHFFFAOYSA-N;149.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92759;MM92759;CC(F)(CC=NO)CCN;VBZMHNTUYKUABZ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92760;MM92760;C=C(CO)CC#CCCO;TZOWVDZAFKJTNF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92761;MM92761;CCC(C=C(C)CN)CN;MQOKJSHCSSNQMM-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92762;MM92762;COCC#CCC(=O)CO;DLMCCNNLLRSORM-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92763;MM92763;CCC(=CC(C)CN)CN;OEFJYWNTLDXNHW-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92764;MM92764;C=C(C=NO)CCNC;FIDLBBKBDYGKBM-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92765;MM92765;C=CCC(=O)C(=NC)NO;OARAFCLIINDNMW-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92766;MM92766;CCC(C)C(N)C(C)NC;UZAMHTBLDKHRCY-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92767;MM92767;C=CCC=CNC(=N)NO;WLDZPWLGVFWNLS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92768;MM92768;C=CCNC(=N)CNN=C;MWNGSVMPIKNEDN-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92769;MM92769;COC(=O)CC#CCCO;XYEJXJXRBPEEMO-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92770;MM92770;C=C(C=CCN)CCCN;CYBCXENCQWJVIF-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92771;MM92771;NN=C(CF)ON=CNO;OQUUYVSYKIHWOC-UHFFFAOYSA-N;150.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92772;MM92772;CC(C)OC(CCO)=NN;ZPPCHTSHMKAHDT-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92773;MM92773;C#CCC#CCC(=O)CO;ADRWAOHUIHYESX-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92774;MM92774;COC(C)=NNCCCO;KNTWJHHRVCCSRO-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92775;MM92775;C=C(C#N)CC#CCCO;IMDKSOHMDAAHDF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92776;MM92776;C=CC(C)C(N)CNCC;FFNDAYDZOPBZCS-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15495;MM15495;C=C(C#N)CC#CCC#N;UURDHOWJEGBGDF-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92777;MM92777;OCC(O)CC#CC=CF;YFFRQVQFOSXWME-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92778;MM92778;C=CC(CCO)C(C)NC;NWHMUSUIAUIQDB-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92779;MM92779;C#CC(=N)N(C)CCC#N;OBPJYNGWYBFPNG-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92780;MM92780;C#CC(=NN)N(C=C)N=C;MKGMFGFHHCPIHW-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92781;MM92781;CON(C(=N)N)C(=N)N;JWFFMLKLKXPUOW-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92782;MM92782;CC(C)(N)CCCNC=O;TWSWLWDPUVJXIU-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92783;MM92783;C=C(CN)C(=C)CCCN;WCMIODCKPNGXIW-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92784;MM92784;C=C(C=COC)C(=N)NN;XSPLRZXDNBZAIP-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92785;MM92785;C=C(C=O)CNN=COC;UZNNHJMRBCCSFI-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92786;MM92786;CNCCCOC(C)OC;MSVITWWVONZMCE-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92787;MM92787;CN(C=O)CC#CC=NO;AVEVANSCUKZEIX-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92788;MM92788;CCC(=O)OCCCNC;WMJSTHPTPDXSSC-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92789;MM92789;CC(OC=NN)OC=NN;MOEUZRZZCZSSSZ-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92790;MM92790;C#CC(C)(C)OC=NNC;ZAQHAINVRNKMPI-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92791;MM92791;C#CC(O)CC#CC=NO;QNNCZMNJPHOXKN-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92792;MM92792;CNCC(C)CCNC=O;FEMOAHTUIRVNGO-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92793;MM92793;C=C(C)NC(=NN)N(C)N;JWYALIGJNUKKNR-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92794;MM92794;CNCCCOC(=O)OC;KKWVPPDCKOIWHL-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92795;MM92795;C#CC(C)NC(=NN)NC;CYOYNGZZLXGSIU-UHFFFAOYSA-N;140.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92796;MM92796;C=C(C#N)OCCCNC;AJBMDQZESVZPMH-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92797;MM92797;C=CN(OCOC)C(=N)N;GOURGMDQFVJPAW-UHFFFAOYSA-N;145.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92798;MM92798;C#CC(=O)C=CCCNC;TUFLVBVYEDXDOO-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92799;MM92799;C#CC(=C)OCCCNC;SNWFPTKPDLRLFI-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92800;MM92800;COC(=O)CC#CC=NO;ZKICVLNEAQSVML-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92801;MM92801;O=CC(=O)CC#CC=NO;BIXRRPFCNYHKHI-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92802;MM92802;CC(CC#CC=NO)=NN;CZBDFIWHASDOQC-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92803;MM92803;CC(CC#CC=NN)=NO;VAQKYJPVIKEMLU-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92804;MM92804;CC(CC#CC=NO)=NO;XDOOYRORYUANKJ-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92805;MM92805;COC(C)OC=CNC=N;ZTTPGHQVGUTMOA-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92806;MM92806;C=C(CN=CN)C(C)=O;UKXNLHYUVMPXMN-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92807;MM92807;CNC(=N)C#CCOC=O;QIVAFRQXTZMDIL-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92808;MM92808;C=NOC(=NN)OCCC;OTBBOZUTEYTLAJ-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92809;MM92809;CNCC(CF)C(C)NC;QBBSMYZZEJEMGZ-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92810;MM92810;CCOCC=CC(O)CO;GBZWQGQIBHFECW-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92811;MM92811;CC(C=COCCO)CO;DRTGJGHYCNGFTL-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92812;MM92812;CC(C)=NOC=NN;JMGXMRUXOXCRFX-UHFFFAOYSA-N;115.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92813;MM92813;C=C(CN)C(CF)CCN;OQMKQLFVGJOLOW-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92814;MM92814;COC(C)C=COCCO;HTNAQRIOQDMWCG-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92815;MM92815;C#CCOCCOC=NN;FWFLYFYVTUUVQK-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92816;MM92816;CNCCC(COC)OC;NVFAMFUPEYLUBV-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92817;MM92817;CCNC(CN)CCCF;ONLCDESAKVGHOS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92818;MM92818;CNCCC(CC#N)OC;WDLGLVGITOUBJX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92819;MM92819;C#CC=NNC(C)C#N;UVBORQDXRUHCRV-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92820;MM92820;CNCCC(CF)OC=O;BFAYREAMIREHLG-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92821;MM92821;CC(C)C(N)C=NO;RJDOJMINLATJCM-UHFFFAOYSA-N;116.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92822;MM92822;CC(CN)=C(C)OC=NO;XXODGQHPGHLMMP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92823;MM92823;CC(N)CC(F)=CC=NO;LMVYUOCHVDPANS-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92824;MM92824;C#CC(F)C(O)C(=N)N;FLJGYWHTAGVSOE-UHFFFAOYSA-N;130.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92825;MM92825;CC(C)=NNC(C#N)C#N;FNCHMEOBMVKACB-UHFFFAOYSA-N;136.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92826;MM92826;N=C(NN)NC(N)=NO;SHEOCTCNUJWPHE-UHFFFAOYSA-N;132.13;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92827;MM92827;C=CC(CCNC)NCC;HJGUXQPNCFKCQU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92828;MM92828;CON=CC(C)(O)CO;NZOFQWIZOTWNMG-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92829;MM92829;NCC=CC(CF)CCN;CPEIGJRCNYPDSO-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92830;MM92830;C=CC=C(CN)CCCN;GBBBOMLZMLZYNV-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92831;MM92831;C#CC(=NNC)C(C)(C)O;ALYCRDIZIIKLND-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92832;MM92832;C=CC(=CCNC)CCN;UXFSGJDRDFRSQI-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92833;MM92833;C=CC(C)C(CN)C(C)N;UYVPUXFPKXMLRM-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92834;MM92834;C=COCC=CC(O)CO;WPSLKBXXORPEKF-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92835;MM92835;C=C(C)C(CN)C(N)CC;FNSOUXZDEFPZGA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92836;MM92836;CC(C)=C(CN)CCCN;HXEYONSWLVFEIS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92837;MM92837;CC(C=COCC=O)CO;SQNHWYFVTKURNQ-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92838;MM92838;C=CCOC=CC(O)CO;GPRZSERKBYTNQT-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92839;MM92839;NCCCCC(=CF)CN;KUBCQRBSYGIMPS-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92840;MM92840;C=CC(C)(C)NC(=N)CO;VRHZSTXUZDGHQN-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92841;MM92841;CC(C)NN=COCC=O;KUASPYVLTIDBKV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92842;MM92842;O=CC=CCON=CCO;PSONSCXIDFQMGE-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92843;MM92843;C=CC(CN)C(N)CCC;REJFLXPSUACZLN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92844;MM92844;C=CCCCN(O)C(=N)N;OOMVOORHWYAGRJ-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92845;MM92845;C=NOC(=O)C(C)(C)CO;ZMYBYONIEYGSQP-UHFFFAOYSA-N;145.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92846;MM92846;C=CC(CF)C(N)CCF;IXYWMRQBMCWMBW-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92847;MM92847;CNCC(C)C(C=O)=CF;RTTVRYADGBNNBA-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92848;MM92848;CNCCCOCCC#N;GOXAFMJHMOLNMV-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92849;MM92849;C#CC(=O)CC#CC(=N)N;VFFOXTZDLYYRSS-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92850;MM92850;CNCCCOC=CC#N;NEMMMBIRFPZWBY-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92851;MM92851;N=CN(N)C=NC(=N)NO;FVGWXWKBHADALB-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92852;MM92852;C=CN(C=CC)C(=N)NO;HOMBKANBTHNDID-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92853;MM92853;CCNC(C(C)C)C(C)O;PKZWKVXRZJAUTG-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92854;MM92854;C=CC=NN(C)C(=O)NC;WWGVFTVFNWHWSM-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92855;MM92855;N#CC(C#N)=C(N)NC=N;LNJVYLYXXKDCOT-UHFFFAOYSA-N;135.13;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92856;MM92856;C#CC=NOCCCNC;MFAUDHLAXSSLSM-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92857;MM92857;CNCCOC=CCCN;RMGDAXVVRKZIQJ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92858;MM92858;CCC(=NN)OCCO;YDKXSJPGWNFQAI-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92859;MM92859;C=CC(=NOC)OCCO;PNFPYQKPNXWJQR-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92860;MM92860;C=NOCOC=CNC=N;IRCINGAYFTWUTO-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92861;MM92861;CCN(C)N=CONC=O;WXDVAWZEAPJMTK-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92862;MM92862;CNN(C)C=N;XAKMCWSISAUVAJ-UHFFFAOYSA-N;87.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92863;MM92863;C#CCOC=CC(O)CO;KHXKNEWZFAKKTA-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92864;MM92864;C#CCOC=CC(F)CO;RVJPUIGYKXIFKS-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92865;MM92865;CCNN=COC(C)C=O;NXUMKMSYOBRSJO-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92866;MM92866;CNN=C(NC)C(=O)CF;XNLDHABYPJFLGF-UHFFFAOYSA-N;147.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92867;MM92867;CCC1(N)CC1;RTHXBEOKSSCNNT-UHFFFAOYSA-N;85.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92868;MM92868;CNC(CCO)C(C)C;ZPIMJYGYLVMSAP-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92869;MM92869;CNC(=CC(N)=O)N(C)C;VQVQTBIZEHIETE-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92870;MM92870;CCC(N)CCN;WTSXICLFTPPDTL-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92871;MM92871;CCCC(N)CCN;RPLXGDGIXIJNQD-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92872;MM92872;CCOC=NNC(C)C=O;PCAAWBKSBFMDMN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92873;MM92873;N=CNCC(=O)C(F)=CF;HPRLUNBOXVIMPH-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92874;MM92874;N=C(N)NN=C(N)N;ZILVNHNSYBNLSZ-UHFFFAOYSA-N;116.13;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92875;MM92875;CCC(C)NCCN;WXBCLRGRESBFRV-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92876;MM92876;COCCC=CC(O)C#N;WYERQUGXXOZHDW-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92877;MM92877;CC(C#N)C=COCCO;DFWOVGVYWOVUKW-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92878;MM92878;C=CC(O)C=COCCO;NMMCWZFAAQENDV-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92879;MM92879;N#CC(F)C=COCCO;DTZBUAKXBQFEPS-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92880;MM92880;CCCNC(C)CN;KBWKTWRJUCKQME-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92881;MM92881;COCOC=CC(O)C#N;ATSIARAOJMDZHI-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92882;MM92882;C=C(CN)CCCN;OVDMBEKBNSEMKF-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92883;MM92883;N#CC(O)C=NNCCO;BJKPLMHFMUHGNF-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92884;MM92884;CC(C)(C#CC(=N)N)CO;VLMJFQLLDZJWBG-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92885;MM92885;N#CC(O)C=NOCCO;GMSWHUMAJIPRPR-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92886;MM92886;C#CCNN=COCC;XHOXYHLTXBNISR-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92887;MM92887;CCNC(CC)CN;TZGWVMCBTLZVCS-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92888;MM92888;CN=C(NC)C(N)C=CF;YJABSKUNKSBROQ-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92889;MM92889;C=CNC(=NNC=N)NC;KEGKTRFGOBVWPQ-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92890;MM92890;NCC=CCCCN;QGFGFBGYAYQIDM-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92891;MM92891;CC(C)=C(F)CC(C)N;CVSMNIDUSMONFG-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92892;MM92892;C=NOC(=NC=O)NC;YVIDFEIQEYFEHU-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92893;MM92893;N=CNCC(F)(F)C=O;MCACTWTUHUJLGJ-UHFFFAOYSA-N;136.1;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92894;MM92894;C=CCCNCC(C)N;NBLBHDJRRKOUKZ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92895;MM92895;NCCC(N)CCCF;NPEUNVPFDAQQRL-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92896;MM92896;COCCC=CN(O)C=O;GUDYJKPGIJMAOH-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92897;MM92897;C#CCC(N)CCNC;BVFFUKOFDXUEQR-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92898;MM92898;CCOCC=CN(O)C=O;LLBDRXGKVYHJHB-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92899;MM92899;CN(C=O)C=COCCO;CBJYWSAKONKOIZ-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92900;MM92900;CNC(C)C(N)C(C)C;DIGMEBBJPCWBLN-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92901;MM92901;C=C(CN)CCCCN;WCTHGIUMQNPJNJ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92902;MM92902;CNC(=N)C#CCOC;RHSWYTXOUPPVLR-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92903;MM92903;C=NOC(CF)=NNC;ZHUBPXCJAOYFTB-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92904;MM92904;COC=NNC(C)(C)C=O;KUWHSAGEPZJXFO-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92905;MM92905;CNN=COC(C)(C)C=O;SVBCPWCILPWROS-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92906;MM92906;C=CNC(=NC)NOC;UBHYBKFKLDGBPX-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92907;MM92907;C=CC(C=O)CC(C)NC;KEAPIFHHNNLDRK-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92908;MM92908;COC(C)OC=NN;CNFOVJPTBOHPRR-UHFFFAOYSA-N;118.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92909;MM92909;CC(=CCCCN)CN;SLVKXEKWEZOTIO-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92910;MM92910;C=CC(C)C(N)CCN;GVDMUSJQXDSHMB-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92911;MM92911;C=C(C=O)C(C)CNC;VBRWPPGGBABIEE-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92912;MM92912;CCCC(CN)C(C)N;NCYBYDTWUUYFIN-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92913;MM92913;CNCC(CF)C(C)N;CPBGRVFZKCBUBM-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92914;MM92914;C=CNC(=NC)C(C)N;JTMRBJQLWFTDSO-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92915;MM92915;CC(C)C(CN)C(C)N;UXDJARIJYYVFDT-UHFFFAOYSA-N;130.24;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92916;MM92916;C=CCCC=CC(O)C=O;QPLKTDRBSHMPNG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92917;MM92917;COCOC=CNC=N;FDSOJPHZMCQFOW-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92918;MM92918;C#CC(C)(N)CC(C)(C)N;KWXXHIYZXDLFBN-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92919;MM92919;C=CCOC=CC(O)C#N;LFBSBRXHBILTGR-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92920;MM92920;N#CCOC=CC(O)C#N;JXRWMYDDBKJEJK-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92921;MM92921;C#CC(C)OC=NN;CDWNEKQXGINFBH-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92922;MM92922;C=COC(C)OC=NN;KFXLBLKDVWGNLJ-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92923;MM92923;C#CC(=O)C#CCNC=N;CLHYVSDXKLHRCI-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92924;MM92924;C=NN=C(NC(=N)N)OC;QEYSGUYNDZQWAJ-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92925;MM92925;C=CCNN=CC(O)C#N;ZBRCCNGCVFAWOQ-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92926;MM92926;N#CC(O)C=NNCC=O;ZQBWKZXKVCHRLK-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92927;MM92927;N=C(N)C(C#CCF)CF;CBXVDRFGALZHJM-UHFFFAOYSA-N;146.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92928;MM92928;N#CCNN=CC(O)C#N;JFKVKSOZUQTYRN-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92929;MM92929;C#CC(CN=CNC)OC;OUUOUZDHNDGGFH-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92930;MM92930;CCCC(=NO)C(C)N;NHUNCLZRGIZZBF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92931;MM92931;C=C(C=NO)OC=CCN;ZCMMNVPWRQMYTB-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92932;MM92932;C#CC(N)CC(C)(C)NC;VDXWZRNOBONIFR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92933;MM92933;N#CCON=CC(O)C=O;JGOLEQVGVRLJDP-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92934;MM92934;N#CCON=CC(O)C#N;VQXHOGPNHREJBG-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92935;MM92935;C=CCC(C)(C)NCCN;KCCOPJOACWUVHH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92936;MM92936;CN(C=O)C=CCCC=O;PQZQMXVFDIRTEZ-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92937;MM92937;N#CC(O)C(O)C(=N)N;LXDGDCUZYSTJEX-UHFFFAOYSA-N;129.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92938;MM92938;N=C(N)C#CCC(F)F;LROBSRPQMCDHKY-UHFFFAOYSA-N;132.11;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92939;MM92939;C=C(C)CCNCC(C)N;JUOQKMKNAVLOTP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92940;MM92940;C#CC(C)(N)C(C)CNC;TZZWNPRJEIIPRX-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92941;MM92941;N#CCC#CCNC=N;LIXMFKJMEMLLSK-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92942;MM92942;CNC(C)(CCN)CCF;RFEQGCFAAXAAQS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92943;MM92943;CN(C=O)C=COCC#N;GRJLKGYLECOAJW-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92944;MM92944;CNCC(C)(CN)C(C)C;MRKKSDRPVHZWBI-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92945;MM92945;C=NN=C(C=NN)N(C)C;YGPTWZBWSHBIOW-UHFFFAOYSA-N;141.18;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92946;MM92946;C=CCOC=CN(O)C=O;JIKOXTPEPPNTTQ-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92947;MM92947;N#CCOC=CN(O)C=O;PTDQRJYJANKVRD-UHFFFAOYSA-N;142.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92948;MM92948;CC(N)CC(F)=C(F)CN;UQFZYVOOQYXKGU-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92949;MM92949;C#CC(COC)NC(C)=N;ALMOLVRFDONMEA-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92950;MM92950;CC(C)CC(CN)C(C)N;DOQXKSRRUFDNKC-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92951;MM92951;CNN=CC#CC(C)=O;KMECCAOOVJSQRY-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92952;MM92952;C=CC=NOC(=O)C(C)O;IQCZHRSVDGZHTF-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92953;MM92953;C=NOCC(=O)C#N;OJJCXFDGDVGCKA-UHFFFAOYSA-N;112.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92954;MM92954;CC(F)CC(CN)C(C)N;DQLKGRVKAYQLJR-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92955;MM92955;CNC(=N)N(O)C=CCF;ZNJVPLRTWVIVSU-UHFFFAOYSA-N;147.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92956;MM92956;CC(N)CC=COCCO;IDBXENVIWSDMTQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92957;MM92957;CON=CN(O)C(C)CO;DZMQBIKNRIRBOV-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92958;MM92958;CNC(C)CCOCCO;RVUPJGDFBTVYHK-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92959;MM92959;CCNCCCOCCO;DCHGMSYPBVEQDG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92960;MM92960;CC(N)CC(=CCO)CF;VDEBHSONTSACHJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92961;MM92961;CC(C)C(C)(N)CCO;GVHJMGYIHVKAKN-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92962;MM92962;CC(N)CC(=CF)CCO;JYJJGNOYLYAAQR-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92963;MM92963;C=C(C)CCNCCCF;HIDFXSQKIGSHAB-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92964;MM92964;C#CC(=CCC(C)N)CO;BTRHRSCJILHALF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92965;MM92965;NCCC(N)CCCCF;SHTVTWODMIPHCI-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92966;MM92966;CCC=NOC(=NN)NO;KMQLAUCVLAKSCE-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92967;MM92967;CCNN=CC#CC(N)=O;IJBJKSSUWYAPSS-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92968;MM92968;C=CCCCC(N)CCN;ILZFKNKZTATUOO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92969;MM92969;C=NOCCC(N)CCF;YZRYBWFVPIWHPN-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92970;MM92970;C=C(C=CCNC)CCN;VLRKHBCAVXQPLD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92971;MM92971;CC(C=CF)C(N)CCN;RSFCLBZSWBSQII-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92972;MM92972;COC(OC)C(C)C(C)N;IHTKUDHIYTVDON-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92973;MM92973;C#CCOC=CC(O)C#N;POZRZYQHOOYHPX-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92974;MM92974;C=CC(CO)OC(C)=NN;MUUZHXZDUIUVIY-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92975;MM92975;C#CCNN=CC(O)C#N;OCOQLUUGLQXHOS-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92976;MM92976;CCC(C#N)=C(N)CO;JQUKHHXXQSUPJU-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92977;MM92977;C=C(C)C(C)C(N)CCN;GESQTFSMAXUKOW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92978;MM92978;CN(C)C(=NC=N)C(=N)N;MFFOVGMLPBTINC-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92979;MM92979;C#CCOC=CN(C)C=O;SNDMANGCASQFRB-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92980;MM92980;C=CC(C)(CCNC)NC;WPGKYIFSHVQAQE-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92981;MM92981;CCC(CC)(CN)CNC;WVZBENAMOSULMQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92982;MM92982;C#CCOC=CN(O)C=O;VTKCBYQCHHYQOJ-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92983;MM92983;CC(CN)CC(=CF)CN;LABHDJOGJVVTRY-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92984;MM92984;CC#CC=NOCCO;HRDZTENECSQLPX-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92985;MM92985;CC(O)C(C)C(C#N)=CN;OLQVOEWCTAQEOL-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92986;MM92986;C=CNC(=NC=NC)NN;SWARQRNVXKFWHR-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92987;MM92987;CC(CO)C(C#N)=CN;DIBAEEKASVUNEQ-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92988;MM92988;NCC=CC(F)CCCN;NFSOXQFOYFHARU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92989;MM92989;CC(CN)=C(C)CCCN;BVUKFPDZLBFEAZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92990;MM92990;C=C(C=O)CNC=NCC;SFNQBDJTQSXGLI-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92991;MM92991;CN(C=N)C=COCC#N;HDRSGMPZBJCOKX-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92992;MM92992;CCC(CO)C(C#N)=CN;IGDOTLHMOKTTJX-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92993;MM92993;COC(CC(C)O)=NN;VNBVYCWEPIOHGU-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92994;MM92994;CC=CNC(=NC=N)NN;IBXCPWZDMZIJHC-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92995;MM92995;C#CC(O)C=COCCO;ARTLNNOWQFFSOB-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92996;MM92996;C#CC(O)C=COCOC;JWDQJCIHPUCKLH-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92997;MM92997;C=CC(C#N)=C(N)CC=O;WELFZIXIRDZGSB-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92998;MM92998;CCOCC#CC(=N)NC;MMURHMORDGXABA-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM92999;MM92999;C=CC(CCNC)C(N)=O;PCCJCDIUSMQZBA-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93000;MM93000;C=CC(=NCC=O)N(C)C;JIEZSAGSVTVPEA-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93001;MM93001;C#CC(O)C=NOCCF;DJLPOGZZZURAAI-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93002;MM93002;C#CC(O)C=CCOC=O;NCLYELQNDKWYCS-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93003;MM93003;C#CC(O)C=COCC=C;HQFOWDSWALOGAH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93004;MM93004;C#CC(O)C=COCC#N;FFLDKBBSQRIAMJ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93005;MM93005;C=NN(C=O)CCCC=O;YYRHKOZSMJMEKG-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93006;MM93006;C#CC(C#C)C(C#N)=CN;HNFUTEDJFGLJMU-UHFFFAOYSA-N;130.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93007;MM93007;C=NNC(C#N)=NOCC;NRPNYUNAUCSMTG-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93008;MM93008;CC#CCNN=COC;IGGAMGFHSWHDFN-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93009;MM93009;CCN=CNC=C(C)CN;YJNGNMIGLVEUHT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93010;MM93010;C#CCOC=CC(O)C#C;FGWWCHZCDPHZEM-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93011;MM93011;C#CC(=C)C(CN)CNC;VSCYHAABXALGTJ-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93012;MM93012;C#CCON=CC(O)C#C;YZBIRIRNCYHIOT-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93013;MM93013;CNCC(C=CCN)CF;XIIHVBRGHXNLTB-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93014;MM93014;C#CC(C)NN=COC;QMYMNEUHLFMBQC-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93015;MM93015;C#CC#CC(CN)CCN;BCDHCKVCWSQYHP-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93016;MM93016;C=C(CCCO)CC(C)N;XBBNZSDKJKBWPF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93017;MM93017;COCCC=CC(=O)NO;OCWIHENHIAIWAF-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93018;MM93018;C=CC(=CCCN)CNC;WMHNHLKZGGPDDB-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93019;MM93019;C=C(CCO)CC(C)N;PKUSOMVPPKJCDC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93020;MM93020;CCOCC=CC(=O)NO;FJRJOKXLFFVWFJ-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93021;MM93021;CCC(C)C(CN)C(C)N;OTBNBDDBZRWQKS-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93022;MM93022;C=CC(C(C)F)C(C)NC;FECCPYXPAUVPAL-UHFFFAOYSA-N;145.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93023;MM93023;COCCNN=C(C)OC;JGQRTFSYMZKVOV-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93024;MM93024;CCCNC=CC(=O)NO;LOCYRIRVRIHLCH-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93025;MM93025;CC(N)C(CN)CCCF;CPCABFFYMAVCGQ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93026;MM93026;C=CCCC(CN)C(C)N;MANNIYHBUHCOGI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93027;MM93027;C=C(C)C(CCNC)NC;SMLDEKQUUAJXKP-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93028;MM93028;COC(=O)C=COCCO;DEMKFMLECTVMIR-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93029;MM93029;CC#CCOC=NN;MRNLAFITXGCKEI-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93030;MM93030;CNC(CC=CF)C(C)N;PEQXYVRHDWXXNR-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93031;MM93031;COCCC(=NN)OC;QBGZSHFFGPLXQV-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93032;MM93032;N=CNCC#CC(F)F;MRUKOPFMQMHVEZ-UHFFFAOYSA-N;132.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93033;MM93033;CNCC(CC=O)CCF;CJZIPJCGQOWLCT-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93034;MM93034;CC=CCN(NC)C(C)=N;LIJOTHYBCXMLDE-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93035;MM93035;O=CCCC=CC(=O)CO;HKMZUSFMBVSHNZ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93036;MM93036;C=CC(CC)C(N)CCN;TZRDOBOWJWYSOV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93037;MM93037;C=COCC=CC(=O)CO;PKYYMQZYWDXCEF-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93038;MM93038;C=NN(C)C(C#N)C#N;CFCPYBNFYXASIV-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93039;MM93039;C=CC(O)C(COC)=NN;YHFORCKYWHAZJS-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93040;MM93040;CC=NOC(CO)=NN;LHWGMWPQCWNASJ-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93041;MM93041;C=COCC=CC(=O)NO;JUSWONLSDIBIIE-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93042;MM93042;C=CC(OC)C(CO)=NN;YUOOVKFWXRMVFA-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93043;MM93043;N#CC(F)C#CCNC=N;LYTXFYVVSIMRPR-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93044;MM93044;C=CCN=C(NC)NOC;CHODDGDKQAOHGV-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93045;MM93045;CC=NOC(=NNC)NO;IBWLTERXJPIZKA-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93046;MM93046;CCC(=O)C=COCC#N;FQYKQKHKFGPFHX-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93047;MM93047;C=CCOC=CC(=O)CO;URGMZUKBMACEDA-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93048;MM93048;C=CC(C=C)C(=N)NNC;UIJWGQHNTUDLMD-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93049;MM93049;CCOCOC=CNC=N;SIUDTVIIFRSONW-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93050;MM93050;CC(CO)=NNCC#N;QSSMHNSCVCGRPM-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93051;MM93051;CC(CO)ON=CCC#N;RLCSULKRYDXHAO-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93052;MM93052;C=CCOC=CC(=O)NO;JEBJTGXYBAYBSC-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93053;MM93053;COC(=O)C=COCC#N;BRALGRDLCPVEJT-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93054;MM93054;C=COCOC=CNC=N;CUZBIAQBIFRHPN-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93055;MM93055;CON=C(NO)NCC#N;ODVDMLIEKCWFBW-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93056;MM93056;C=NN=CNC(=N)NC;GHTNOZYQCFVIIW-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93057;MM93057;N#CCNN=CC(=O)CO;XTYOIMKEQBFDOW-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93058;MM93058;COC(C)=NNCC(C)O;NGEIRWPLVWLBKN-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93059;MM93059;C=CC=NN(CC)C(N)=O;DIMRDNVWRMWSOX-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93060;MM93060;CNC(=O)C=NNCC#N;ZYPBVILWKVDLDK-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93061;MM93061;C=NOCC(=O)C#CC=O;ULUOXBNTZYTCNP-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93062;MM93062;N#CC=C(N)OCC=O;QAXNWGUHRNLSEG-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93063;MM93063;C=CC(=O)COC=NNC;GVKAQOPXJUYDRL-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15920;MM15920;N#CCON=CC(=O)CF;PGMKJIPSQVXUEV-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93064;MM93064;C#CC(=C)NC=N;DVFCPMZEIZMHEQ-UHFFFAOYSA-N;94.12;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93065;MM93065;C=CC(=O)CNN=COC;HNSNLKMSQABCCR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93066;MM93066;COC(=O)C=NOCC#N;UQEVMVSGMAMWQG-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93067;MM93067;C#CC=NNCC(=O)C#C;NUSXQYLAKQJXHG-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93068;MM93068;CC(N)C(C)CN;STLSOFAFTXCYOU-UHFFFAOYSA-N;102.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93069;MM93069;CC=NOC(=NN)NOC;YXVUNRYWZQJYSK-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93070;MM93070;C#CCNC=CC(=O)OC;JYDASUKIKKBAMB-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93071;MM93071;C#CCOC=CC(=O)CO;UVMBEWFWLKHGRP-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93072;MM93072;CC(=N)N(C)C=N;PNBABMSIQOJEMA-UHFFFAOYSA-N;99.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93073;MM93073;C#CC(C#C)ONC(=N)N;VCXKEUFCJNZTBK-UHFFFAOYSA-N;137.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93074;MM93074;C=CC(=NNC)OC=NN;FSABVWIZXWYCBG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93075;MM93075;C#CCNN=CC(=O)CO;LZCMNTKEOMWMSB-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93076;MM93076;CC#CCONC(=N)N;WIRBUAISXARACS-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93077;MM93077;C=CC(C=NO)C(=N)NN;QFXCRLVCDZHIQR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93078;MM93078;CCC(C)C(C)(N)C=NO;IIIFBDUDCXKYEB-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93079;MM93079;CNC(C)(C)CCF;JKOPGBPDUDTLBD-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93080;MM93080;C#CCON=CC(=O)NO;MHGSQYFKMRXAMW-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93081;MM93081;CC(=N)NC(=N)C(C)C;SZFWMFMIZSKNMX-UHFFFAOYSA-N;127.19;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93082;MM93082;C=CC(=O)C=CNCCF;CCUCOYASBLKBSH-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93083;MM93083;C=C(C=O)C=COCCO;KSJLEQZMCNFMFO-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93084;MM93084;N#CC(=O)C=COCCO;KQCZFVSMUKJTRZ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93085;MM93085;N#CC(=O)C=COCCF;HTWOWVZMHQTDAR-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93086;MM93086;COCOC=CC(=O)C#N;MYHWCSSOCLLKGO-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93087;MM93087;C=C(CC(C)N)OC=O;VLFDCZREMIQIRM-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93088;MM93088;C=C(C)CC(N)C(C)=NO;ACJIWNOPPWRHOC-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93089;MM93089;CC(C#N)(CF)NCC=O;BSSCMSAMEJBTLU-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93090;MM93090;N#CC(=O)C=NNCCO;FCMHFLHRCUJWJJ-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93091;MM93091;C=NNC(=N)C(C)(F)F;NUKHDUAZHVHVPI-UHFFFAOYSA-N;135.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93092;MM93092;NCC=COC=NO;PFZRVDNSNYNUID-UHFFFAOYSA-N;116.12;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93093;MM93093;N#CC(=O)C=NOCCO;AMXURGHIRAXBTF-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93094;MM93094;N#CC(=O)C=NOCCF;QOJGGXAQSOYNTD-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93095;MM93095;CCCC(C)(CN)NC;JEEXVMMVCVOBME-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93096;MM93096;C=CCNC=CC(=O)C=O;YQDRZZGOGHLXIV-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93097;MM93097;O=CCNC=CC(=O)C=O;GTWQYPGZBQHAMS-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93098;MM93098;N#CCNC=CC(=O)C=O;NTASIHIMVPSZIS-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93099;MM93099;N#CCNC=CC(=O)C#N;VCDYWHLGNFEFSS-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93100;MM93100;N#CCOC=CC(=O)C=O;LXVOEALEPPJYAN-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93101;MM93101;N#CC(=O)C=COCC=O;BGRFFCJFUKQDGW-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93102;MM93102;N#CCOC=CC(=O)C#N;AYRHCXXMABRLHC-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93103;MM93103;C=C(CC)OC=NNC;BIJHAZLGBXHEPF-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93104;MM93104;CNN=COC(C)(C)OC;ZMTRJVKOTHODLO-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93105;MM93105;CCNN=COC(C)OC;FPJSXXBFQOKMLR-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93106;MM93106;CN(C=O)C=NC=NN;AQNUZGKQTFWXHQ-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93107;MM93107;C#CC(C)(O)COC=NN;WZDWJXZEFLVZDR-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93108;MM93108;CC#CC(=NNC)C(C)O;FAJODIWWAZAEQH-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93109;MM93109;C#CC(CO)=NNCC;AIICDSYCYQPZLS-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93110;MM93110;C=C(CN)CC(C)CN;SRDNBNHXECZICT-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93111;MM93111;C#CC(CC(C)N)OC;NAPZLZADTIPGOL-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93112;MM93112;C=C(CF)C(=N)N(C)N;WWTFHUOIJPSQQJ-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93113;MM93113;CC(CN)CC=CCN;UYLDPBMIIRZGNK-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93114;MM93114;N#CC(=O)C=NOCC=O;MTAILLXLGKRALT-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93115;MM93115;N#CCON=CC(=O)C#N;GYSNLPRCKFNNAA-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93116;MM93116;C#CCNC=CC(=O)C=O;CSVCYFFVSLPWMZ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93117;MM93117;C#CCNC=CC(=O)C#N;CVLPYUCKSWKZRQ-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93118;MM93118;C#CCOC=CC(=O)C#N;NBDSBQPPSYPWSZ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93119;MM93119;C#CC(CO)=NNCC=C;OYWSFZFIMGAAHY-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93120;MM93120;CNCC=CC(C)CN;VHWXXBNSIDDUEM-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93121;MM93121;C#CC(=O)C=COCCO;TYQQWOLUKDWTAP-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93122;MM93122;C#CC(=O)C=COCOC;RIVSFKAJQLTDDO-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93123;MM93123;NN=C(CO)CO;PSIXHVPNLPMCML-UHFFFAOYSA-N;104.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5";;;;;;;-1.55;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93124;MM93124;C=C(OC)C(=NN)C(C)O;SHSNKPDNDHSHBN-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93125;MM93125;CC(C)N(O)C(=N)C=O;AJCQJKOTFVZJOG-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93126;MM93126;C=CCC(N)C(C)CN;LNXYGWUBEVCGPU-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93127;MM93127;C#CC(=O)C=NOCCO;NMICFTABDVOXHE-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93128;MM93128;CC=NOC(=NN)NO;NJVYVBXBXMEOIJ-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93129;MM93129;C#CC(=O)C=CNCC=C;UPEVXHULQKJZGF-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93130;MM93130;C#CC(=O)C=CNCC#N;MNVSZXSJGDZMOX-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93131;MM93131;C#CC(=O)C=COCC=O;KIHAORFWEYINBD-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93132;MM93132;C#CC(=O)C=COCC#N;GZKYTFDUFWYOQW-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93133;MM93133;C=NOC(=NC=NC)NO;MKVSWIARUDMOLW-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93134;MM93134;COC=NN=C(C)NO;YIZYIQYHUNDOPQ-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93135;MM93135;C#CC(C#CCCN)=NO;VOKPEIWUQJVNDS-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93136;MM93136;CCCN(CC)NC=N;ZOXIQUCPBUVFJS-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93137;MM93137;CCN(CC#N)C(C)=N;RMIULQVVIYHZKG-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93138;MM93138;CC(N)C(=CF)CCN;HNWPMMTYKHTIEC-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93139;MM93139;CNCC(C)(N)CC(F)F;RJJZFZVOGDVSCP-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93140;MM93140;C#CC(CC(C)(C)N)NC;CVHSXYMBFTXFGB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93141;MM93141;CC=COC=CC(O)CO;CPLAUDPNSAMIGM-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93142;MM93142;COC(CCCN)=NO;FDRZZLOSHQMLTH-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93143;MM93143;C#CC(C#N)N(C=N)N=C;BHPMCHYFWMPNDN-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93144;MM93144;CCOC(=NN)C(C)CO;ZRYFDQIWWDNTOH-UHFFFAOYSA-N;146.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93145;MM93145;CC(CF)NC(C#N)C=O;KPPAEUYVTQASLN-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93146;MM93146;C=NN(C)C(=O)C=NNC;ZKPQJLCVJHQGTA-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93147;MM93147;COC=NNCC(C)(C)F;CSSGLMFMQJIAOU-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93148;MM93148;CNN=COCOC=NN;OMFQJXNHQQHUGK-UHFFFAOYSA-N;146.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93149;MM93149;CC=COC=NNC;KXNZECPOXDTQNP-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93150;MM93150;C=C(C=NO)C(=C)NC=N;QWQWRXMFZAULGW-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93151;MM93151;CNCCCC(C)=NO;QGMQGSOJGCYTEA-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93152;MM93152;CCN(C)N=COC=NO;OYOMXSRMHQJFFQ-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93153;MM93153;CC=NOC(C=NN)=NN;OAPDJCQZYYLQPE-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93154;MM93154;CNN=COCC(C)(C)F;QTABVLXPXGHRNK-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01679;MM01679;CC=COC=CC(O)C#N;PJNUPZGRLZTCGY-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93155;MM93155;NN=CC(F)CF;CEIFLNMCOHNTDL-UHFFFAOYSA-N;108.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93156;MM93156;C=CC(O)C=COC=NO;VGOZUVDRHIPGSH-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93157;MM93157;N#CC(O)C=COC=NO;MHPYRFRTRPBXLX-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93158;MM93158;CC(N)CCC#CCO;MGUIWLJXDJPDDJ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93159;MM93159;C#CC(C=C)OC=NN;YSXVTDCHNXURJR-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93160;MM93160;C=C(NC=O)NC=NCC;JZZLFNSYDKTNIU-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93161;MM93161;N#CC(O)C=NNC=NO;PWNXIMQLBPURHM-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93162;MM93162;C=C(NC=N)N(O)C=NN;VHQMNFMGOXGBIS-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93163;MM93163;N#CC(F)C=NNC=NO;HWMGZOXXKPVMQG-UHFFFAOYSA-N;144.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93164;MM93164;C=CC(O)C=NOC=NO;YGCJTGHCEGDRQP-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93165;MM93165;O=CN(O)C=CNC=NO;OMPCIZWECAPZDD-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93166;MM93166;C=COC(C=C)OC=NN;KHSLCIJDKSFKRL-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93167;MM93167;CNN=CC(C#N)OC;JLYDQRZQXOSXLT-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93168;MM93168;CC(=O)CC#CC(=N)N;PWTZZTVJPRLCOM-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93169;MM93169;NN=COC=CN(O)C=O;GNRREOREWIRTMR-UHFFFAOYSA-N;145.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93170;MM93170;CC(C)(C#CC(=N)N)C=O;YJTIPUCERQASCZ-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93171;MM93171;CC=C(C#N)N=C(N)C=O;QIOLUKAMOFCSFQ-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93172;MM93172;NN=CC#CC=C(F)CO;XLPITZIRXOKQCE-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93173;MM93173;C=CCNN=C(CO)CO;JCBHDPODZMVESK-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93174;MM93174;C=NOC(=NC(C)=N)NO;LYKMSAKHTYOMNQ-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93175;MM93175;CCNN(CC#N)C(N)=O;PGRJYCLDYZRYSM-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93176;MM93176;CC(N)CCC#CC(N)=O;WYHDMRLWZZUKHU-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93177;MM93177;CN=CC(C)=C(C=O)NO;NIUAHOUTWFHTDN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93178;MM93178;C=CN(C)C=NOC=NO;STYZRKCUTXZGJA-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93179;MM93179;C=NN=C(C)N(C)O;GCYUBVQKMKOBBT-UHFFFAOYSA-N;115.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93180;MM93180;CCC(NC)C(C)C(C)O;YVXQJBZEYGVQPW-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93181;MM93181;CNC(C)(CN)CC(C)C;GAJKGWMRKWWSHA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93182;MM93182;C#CC(C)(C)ON=CCO;OGEVWDRJSYXCQN-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93183;MM93183;C=C(C=NOCCO)OC;RPRXNQPJAQZOQB-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93184;MM93184;C#CC=NOCCNC=O;YKDMRZAGLDINLC-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93185;MM93185;C#CC(O)C=COC=NO;CJMDKJMBNLCIDF-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93186;MM93186;C#CC(F)C=NNC=NO;AVPZMCFDIHWHRH-UHFFFAOYSA-N;143.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93187;MM93187;C#CC(O)C=NOC=NN;SDSIOEVMYBIQOW-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93188;MM93188;O=C(C=CCC=NO)CO;UDFYBUCBKJBMPS-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93189;MM93189;CNCCC(C)(N)C=CF;CXSATJJLRMUMRZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93190;MM93190;C=CCC(C)(CN)CNC;MPOKAXSWRBDNGQ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93191;MM93191;N#CC=C(N)OC=CCO;OCVZNIVKQMCQHD-UHFFFAOYSA-N;140.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93192;MM93192;CNN=C(CCCO)OC;WOYUMNYJJOYKFO-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93193;MM93193;C=C(C=O)C=NOCC=O;MZWYAFAVDFUSFE-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93194;MM93194;C=C(F)C(C)(CN)CCN;JOABPSGRYYLVQT-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93195;MM93195;CNN=COCC(C)=O;QVHGLSMCAASPTF-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93196;MM93196;CCC(=O)C=COC=NO;OPJBSEDQDRKSLL-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93197;MM93197;O=C(C=COC=NO)CO;PAPIHQGYAYYZGX-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93198;MM93198;COC=NNCC(C)=O;WAAUWHFAPZXDAZ-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93199;MM93199;C=NOC=NNCCC#N;XHEOTRNNJATVMQ-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93200;MM93200;COC(=O)C=COC=NO;QIPNKPBBZRBHKO-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93201;MM93201;CCN=CNCC(C)O;NSIDOWRPJCROGW-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93202;MM93202;CCN=C(N)C(=O)C#N;XVSDNTGACFDDSI-UHFFFAOYSA-N;125.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93203;MM93203;CCOCOC=NNC;KCGLIRSRNHNOSE-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93204;MM93204;C=CCOCOC=NNC;GCYOFXHEIDNBOZ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93205;MM93205;CCCN=CNCCO;QBWITWWIFHBRRX-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93206;MM93206;C=C(C=O)C=COC=NO;LOSIJTDQSQTOKR-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93207;MM93207;CC(N)CC=CCO;XADBGEPAEKYPLX-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93208;MM93208;CNCC(C)CNC(C)=O;HPMSBFYZVCZPDY-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93209;MM93209;N#CC(=O)C=NNC=NO;BXHCHOBKWKOSSB-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93210;MM93210;C=C(C#N)C=NOC=NO;RVRCCYZMMBSYKG-UHFFFAOYSA-N;139.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93211;MM93211;C=CC(=O)C=NOC=NO;ZLAQKFKHXQVOPO-UHFFFAOYSA-N;142.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93212;MM93212;CCC(CNC)CNC=O;AKZQLVNQTWKOOC-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93213;MM93213;N#CC(=O)NC=NC=CF;AHUVWCJPQJPERM-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93214;MM93214;C#CC(C)OC=NNC;TVHUOEIYRGHIIY-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93215;MM93215;C#CC(=C)C=NNC=NO;JQKQXHCNLRDLGI-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93216;MM93216;C#CCCNN=C(C)OC;WMOGXLPYQNNHQQ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93217;MM93217;C#CC(=O)C=NNC=NO;JXESYGDBYKVWIN-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93218;MM93218;CC(C)NCC(N)CCF;VDDFPIOUWJKDNY-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93219;MM93219;C#CC(=O)NC=NC=CF;AGPUVIWKSLKOMK-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93220;MM93220;CC(N)CC=CCC(N)=O;UFTXAVXPLZTKJY-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93221;MM93221;CC=C(C)CN(C)NC=N;CRWRWIZXQPBPEA-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93222;MM93222;CC(O)C=CCC(C)N;VHMQVFDZNNHZHD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93223;MM93223;C=COC=NNC(C)C;UTJOBYBCDXMRNL-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93224;MM93224;CNC(C)C=C(C)CCN;NBTRTQGNKBQTMK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93225;MM93225;C#CCCOC(C)=NNC;ITZZLKDKMCBTSI-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93226;MM93226;C=CC(=NN)N(N)C(C)=O;GPHULHICJYKMSF-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93227;MM93227;C#CC(O)C(C)OC=NN;NJALQPFHGJZFLK-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93228;MM93228;CCN(CC)NC=O;RDQFXUBEQWOLHN-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93229;MM93229;CC(C=NN=CCO)CO;FQWJEUAKZKUIAQ-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93230;MM93230;CCN(CC(C)C)NC=N;QQMHPQDQFQBLJI-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93231;MM93231;CON=CC(O)CO;TZOTURNLXUYTEM-UHFFFAOYSA-N;119.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93232;MM93232;C#CC(=NN)C(C)O;MZNKYVYWNSBUQP-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93233;MM93233;C#CC(CC(C)N)OC=O;HAHIYMDJBDDLSU-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93234;MM93234;COC=NN=CC(C)CO;NWCXHKXPXPSAGH-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93235;MM93235;COC=NN=CC(O)CO;LBXQVIVSGQKQOX-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93236;MM93236;COC=C(CC(C)N)OC;CXCNZSXLVMSNMH-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93237;MM93237;N=C(N)C#CCC=O;YQXIJYDQSCPJPF-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93238;MM93238;C=C(C)CC(NC)C(C)N;SDEQUTAJNCXNAW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93239;MM93239;C#CC(CC=O)CCNC;SYHMDASKYLDNIQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93240;MM93240;CNCC(C)CC=O;JBFIXZASYBUXBQ-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93241;MM93241;C#CCC(C#CCO)=NN;AWLHKEROUGHCSJ-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93242;MM93242;NN=CC#CC(=CF)CO;VADIJUBEKDMACF-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93243;MM93243;C=CC=CCN(C)NC=N;QZJDTIMFZQUCQT-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93244;MM93244;C=C(C=CCCN)CNC;CPUWATAJDDEHHC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93245;MM93245;O=CC=CC=CC(O)CO;WHZOFQPHXVEQDB-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93246;MM93246;N#CC=CC=CC(O)CO;IXOOIINKPDUFFC-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93247;MM93247;C=CCC(C)N(C)NC=N;MOXHWYUZWPMHMG-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93248;MM93248;COC(C)=NNC(C)CO;UKAMHWNVLUGXBG-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93249;MM93249;N#CC=NN=CC(O)CO;SAZXMMRLCOQYOS-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93250;MM93250;N#CC=NN=CC(O)CF;HVGRVNPICKHFOB-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93251;MM93251;CCNN=C(C)OCCO;WEWLWFWBSZQAJQ-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93252;MM93252;CNCC(C)C(F)C=NN;JOYWUHOGXRITJX-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93253;MM93253;CNCC(C)C(F)C(C)N;STESBLWDFVQBGF-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93254;MM93254;CC(F)=C(CCN)C(C)N;KPANFDJTZVMKAE-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93255;MM93255;CCCCC(C)(CN)NC;AOCJAZUFUCRAQL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93256;MM93256;C=NOC=NOCC=O;PGQXUPFIENGTEE-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93257;MM93257;CNC(C)(CN)CCCF;JFTKIMOMHGKUAT-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93258;MM93258;N#CC(O)C=CC=CCO;NMWUAETUCSWDNX-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93259;MM93259;C=NNC(=N)N(C)C;OZFJLVLPYKBPFY-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93260;MM93260;CC(C#N)C=NN=CCO;SNBZBAQIUQHTIM-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93261;MM93261;C=CC(C)C(N)C(C)NC;LOIYCWOWJWSOFB-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93262;MM93262;CNN=CN=CN(C)C=O;NNYSIJDRWGSSAQ-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93263;MM93263;N#CC(O)C=NN=CCO;IILWFDFTRHXDSI-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93264;MM93264;COC=NN=CC(O)C#N;IBKBTMKKKJOCJT-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93265;MM93265;CN(N)C(=N)NC=NN;IEIPXJFRKHKUAA-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93266;MM93266;C=C(CF)C(=C)C(=N)NN;BELHVZAIDHNWKV-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93267;MM93267;CNCC=C(C)CCCN;WBTNJCMLSOCDHI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93268;MM93268;C=CC(N)C(C)NCCC;DABVYGNLOSIDCH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93269;MM93269;C#CC(C)C(N)CCNC;ZUGQLNJDRZUOJQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93270;MM93270;CNN=CC=CN(O)C=O;QMNYVYCZYJNAFX-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93271;MM93271;C=C(C=O)C(C)NC=NC;BAEKPSMWLCKELB-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93272;MM93272;CC(C=CCN)C(C)CN;HLKYDDZCBGDBPM-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93273;MM93273;C#CCC(=CF)C(=N)N;IFNKWTKKVXVVFS-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93274;MM93274;C=CC(=NN)C(=NN)OC;RABQCQGQVGLSIH-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93275;MM93275;C=NNC(=N)C(F)=CC#N;FXTIBCMIWIMLHK-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93276;MM93276;CN(C)N=CC(F)CC#N;SVEPQUMPRFAQLY-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93277;MM93277;C=COC=NN;BQOWBJQFDSLKIP-UHFFFAOYSA-N;86.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93278;MM93278;CN(C)C(C=NN)=NC=O;CNEMFHJSIYENLU-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93279;MM93279;COCONC(=N)C#N;XCIQZCPGQWAKAW-UHFFFAOYSA-N;129.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93280;MM93280;C=CNC(=N)NC=CC#N;NFPPBYUXEAGLNS-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93281;MM93281;C=CN=CNCC(=C)C=O;GGNMULQPVKXWLD-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93282;MM93282;CC#CC=NNCC#N;QHUOEJAMJRZMKV-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93283;MM93283;C=CC(=O)NN(C)CC;DRUOWCXDMBAZAM-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93284;MM93284;C#CC(C#N)(CO)ON=C;MHZTVQUCMMFJQJ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93285;MM93285;CNN=C(CO)C(C)(C)O;XNBCPGGSSMENRQ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93286;MM93286;C#CC(=NNC)C(C)O;OURNQNKPXHUEQB-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93287;MM93287;C#CC(=O)CC(C)CNC;SGMWTTCKMMRVOD-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93288;MM93288;CN=C(C)NNCC#N;ABBVIKPBCIMCIN-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93289;MM93289;C=NOC(=O)NCCC;UVHAUHGRJOCSQV-UHFFFAOYSA-N;130.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93290;MM93290;C#CCOC=CN(C)C=N;IFDIAPJLWCELSV-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93291;MM93291;COC=NN=CN(C)C=O;BJKHRNKHONEREW-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93292;MM93292;C#CCC(CN)C(N)CC;WIXLOOFASSUBKD-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93293;MM93293;C=C(C)C(CF)C(C)NC;RHEBZHAAJZHXIW-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93294;MM93294;C#CC(=O)C(C#N)N(C)C;HFCXSXRHZTZXOW-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93295;MM93295;C=CC(CN)C(=C)CNC;TVURVYDZPIKNTC-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93296;MM93296;CC1C(C)C1(C)N;PVUYVPDHRKFVEB-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93297;MM93297;CNC1(C)CC1C;RMXBHKWQFBQBQG-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93298;MM93298;C=CC=CC=CC(O)C=O;AHAPKACJUJHSLG-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93299;MM93299;N#CC=CC=CC(O)C#N;SJGYTKBVJYEFLQ-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93300;MM93300;C=CC=NN=CC(O)C#N;SRKYUYXXMDBYEP-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93301;MM93301;N#CC(O)C=NN=CC=O;ZPIQEJWMUQKMLU-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93302;MM93302;N#CC=NN=CC(O)C=O;JTTCKLNDHPQUMZ-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93303;MM93303;N#CC=NN=CC(O)C#N;XRNGZHCGSMRICS-UHFFFAOYSA-N;136.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15326;MM15326;O=CC=NN=CC(F)C=O;NLIQQNIHVCJBKM-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15314;MM15314;N#CC=NN=CC(F)C=O;HNWLHQQOSBVTDE-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93304;MM93304;N#CC=CC=CN(O)C=O;OFFNAXLOKAHCQT-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93305;MM93305;C#CCC#CC(=N)N;WHMKLOHLCPROOA-UHFFFAOYSA-N;106.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93306;MM93306;N#CC(N)=C(CF)C(=N)N;SVZGEBUQTJXWGR-UHFFFAOYSA-N;142.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93307;MM93307;C=NN=CC=CN(O)C=O;CFUWOPMHYKHZSD-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93308;MM93308;C=C(CCN)CNC;YCAGISVRQAYOAV-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93309;MM93309;CNN=C(CO)CO;ZLDPFIMQJBJMCP-UHFFFAOYSA-N;118.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93310;MM93310;CC(C)C(=N)NC=N;XCMXOLUZNHTMNU-UHFFFAOYSA-N;113.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93311;MM93311;CC(=N)N(C)C(C)=N;CMPVQLUYHDATAK-UHFFFAOYSA-N;113.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93312;MM93312;CCC(C)(CN)NC;VEOUCDXKDYMMON-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93313;MM93313;C=NNCCC(C)(C)N;VIUKTJNLEPRKTO-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93314;MM93314;CCCC(=N)NC(C)=N;JKINPBPLDQXVEZ-UHFFFAOYSA-N;127.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93315;MM93315;C=C(CF)N(N)C(C)=N;MEEPDCAKGMMFBG-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93316;MM93316;C=CCC(CF)CNC;WHDIGETUIGOWPH-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93317;MM93317;CC=C(CCN)CNC;KTMSYNQIODKXEX-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93318;MM93318;CC(CN)C(F)CC=NO;HKINXLHUJJONBL-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93319;MM93319;CC(N)C(CF)C(C)N;VALZJAXAHCJZGX-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93320;MM93320;C=CC(C(C)N)C(C)F;HKKOVHATFKJHSH-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93321;MM93321;N#CCOC=CNC=N;IHXIXFHYFHRIIS-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93322;MM93322;C#CCOC=CNC=N;YSZCPLUGHZIQKL-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93323;MM93323;CC(C)(N)CC(C)(N)CF;BXIACMJMKFMNLW-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93324;MM93324;C=C(OC)C(CO)=NN;XGMPXKWYFIPZEX-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93325;MM93325;CNC(CF)CC(C)(C)N;WKIDIBLNYRPVCZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93326;MM93326;C=NN(C)CCC(C)(C)N;WLCHLFMEVGQIEV-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93327;MM93327;CNC(C)(C)CC(F)CN;ODZCOCGBPHIPQO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93328;MM93328;CC(=CF)CC(N)CCF;JZPIRUJWRWSFRB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93329;MM93329;C=CC(=CC(C)N)CCN;QDYXGGFTRPRPBG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93330;MM93330;C#CCC(C)CNCCN;HAFWXSCIUMYGDX-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93331;MM93331;C=NOC(=NC=N)N(C)O;AJGMPEULVAZCNS-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93332;MM93332;CN(C=O)C=NN=CC#N;UHXVFPDCGUKMNR-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93333;MM93333;NCCC=CC(N)CCF;HCSUKXVHTIEWMB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93334;MM93334;C=CN(O)C=NN=CC#N;AFTDIOSONACQLO-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93335;MM93335;C=NN=CC(=NN)N(C)O;KBBKWLHXKLHDGH-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93336;MM93336;CC=NOC=NN=CCO;UYVLJSDLYYUWMR-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93337;MM93337;C=CCC(C)C(N)CCN;ZSEGBFRPDTVBPM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15490;MM15490;C=NN(C)C=NN=CC#N;LQUKMRUKURBBHD-UHFFFAOYSA-N;137.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93338;MM93338;C=C(CCN)C(N)CCF;YHTYCYLYNIEVMQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93339;MM93339;CNCC(C)=C(C)CCN;IKPUZPJRODJKMX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93340;MM93340;CC(C)C(C)C(N)CCN;JOKMVTCXBIUEQY-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93341;MM93341;C=C(CCN)C(=C)C(C)N;BSJKZLQEKAIYSH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93342;MM93342;CNCC(CCN)=C(C)C;XTOBTIHYDJBWHG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93343;MM93343;CC(C)C(CCN)N(C)C;WHMZUNKMDWUEMS-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93344;MM93344;C#CC=NN=CC(O)C#N;PLIBCVVPYMOXIJ-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93345;MM93345;C=CC(N)CC(CN)CF;PQCVVWRMSNXUJC-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93346;MM93346;C#CC=NN=CN(C)C=O;OYAOKCNNWFZBDX-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93347;MM93347;C=CC(=CC(=N)NN)NC;GQSUNLFFWISZHL-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93348;MM93348;C=CC(CN)CCN(C)C;OFULUPCUKZNNLV-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93349;MM93349;C=CC(C=CC(C)N)CN;KGDGXOCOPASYIB-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93350;MM93350;C=C(CO)CC(=NN)OC;WZBPCRRINNZZAJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93351;MM93351;CC(CN)C(N)C(C)CF;NBBGPTUHUYTZGA-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93352;MM93352;CNC(=N)N(N)C=NC=O;BLWDRWPRFMUQBB-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93353;MM93353;CC(C#N)OC=CNC=N;OAQSOHMFOXDBPT-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93354;MM93354;CNC(=N)C(=N)NC=NO;PHKHISJPMMJEGU-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93355;MM93355;CCNCC(CCN)OC;HEMGKHAHTVQBMO-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93356;MM93356;C=CC(CCNC)OC=O;VGZDBTSFCNBING-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93357;MM93357;C=CC#CC(CN)CCN;SBFBNTHLRWNSBY-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93358;MM93358;C#CC(O)C=NN=COC;WFMRAKPUNMUKNY-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93359;MM93359;C#CC(O)C=NN=CC=O;GCALQATUSJTIIL-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93360;MM93360;C#CC(O)C=NN=CC#N;WVBGPLDWRSXVKK-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93361;MM93361;C=NN(C)C(N)=O;RNSBBQANTFOYHX-UHFFFAOYSA-N;101.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93362;MM93362;COC=CC=CC(=O)NO;VTOBZYVKCMFUOB-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93363;MM93363;C=CCNC(=N)C(O)C=C;KBJGYMRFRUQCCM-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93364;MM93364;CNN=CC=CC(=O)NO;JDOJVKZYKJSWCI-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93365;MM93365;C#CC(=COC)CCNC;JGJJOILATJPMAW-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93366;MM93366;C=C(C=NN=CCO)CO;QNMCALURLGDKAI-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93367;MM93367;O=C(C=NN=CCO)CO;PPKASCMXPKQBMU-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93368;MM93368;CC(N)C(=CF)C(C)CN;ZBAITDINJUZWNV-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93369;MM93369;C#CC(C)=NOCCCO;DLYCUGWBNULWMV-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93370;MM93370;C=C(CCO)C(N)=CC#N;UNQQLWNIUXBWJT-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93371;MM93371;CCC(C)=CN(O)C(=N)N;CTZIIFJQPCLAHK-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93372;MM93372;C=CN(C=CC#N)C(=N)N;ACBYEWWYGJXXNF-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93373;MM93373;O=CC=NN=CC(=O)CO;HFYYPUWFVBCQID-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93374;MM93374;N#CC=NN=CC(=O)CO;LXXYUFOOHCZHMV-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93375;MM93375;CC(N)C(=CCCN)CF;XGNLAEHROICIJR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93376;MM93376;COC(C)C=NOCC=O;DWZKTDDEWWRDOA-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93377;MM93377;C#CC(C=O)NN=CCF;WMAONBKHABUWMG-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93378;MM93378;C#CC(NN=C)=C(F)C=O;DWANRAWVKGTQEK-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93379;MM93379;CNC(=O)C=NN=CC=O;OUVRDPLFZMQCQH-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93380;MM93380;CNC(=O)C=NN=CC#N;WSQJTBRUMMQEMH-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93381;MM93381;C=NN=CCNC(=N)CO;CNSHJSXNUUPNCA-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93382;MM93382;C=CC=NN=CC(=O)NO;AYJBEWAXSCENPR-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93383;MM93383;N#CC=NN=CC(=O)NO;FHPDYLIULTZMCU-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01858;MM01858;COC(=O)C=NN=CC#N;QFFJHHVFYXORJC-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93384;MM93384;C#CC=NN=CC(=O)CO;SUJYCLMJJYNSGN-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93385;MM93385;CCCNCC(CN)CF;MVMCLZBULIENFA-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93386;MM93386;C#CCC(C)C(CN)NC;BMAFGKLIDYUNTM-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93387;MM93387;CC(C=O)OC(N)=CC#N;LIZACTRXDUDZTI-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93388;MM93388;C#CC=NN=CC(=O)NC;MTHISZBRZIWNFN-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93389;MM93389;C#CC=NN=CC(=O)NN;SCZLNGGYAGTFDK-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93390;MM93390;C#CC=NN=CC(=O)NO;KPCDKMFCZXDBNA-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93391;MM93391;C#CCC(N)C(CC)NC;WCKMTJOLZLAVGO-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93392;MM93392;N#CC(=O)C=NN=CCO;IWSOOYBUPYITBZ-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93393;MM93393;COC=NN=CC(=O)C#N;CXNCUPVQLKLLCW-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93394;MM93394;N#CC(=O)C=NN=CC=O;OCULDVFRWRTBFB-UHFFFAOYSA-N;137.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15698;MM15698;N#CC=NN=CC(=O)C#N;HINFQWPCCGFSJF-UHFFFAOYSA-N;134.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93395;MM93395;C#CC(=O)C=NN=CCO;JCPGWAQUDKGWPD-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93396;MM93396;C#CC(=O)C=NN=COC;LIYNFGHJINVWDD-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93397;MM93397;C#CC(=O)C=NN=CC=O;GZOQAKGHDDAATM-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15308;MM15308;C#CC(=O)C=NN=CC#N;DXSBNCFOMWXVGS-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93398;MM93398;C=COC=NNCC;WUZLJOIQCUMQJW-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93399;MM93399;OCC(O)C=CC#CCF;XAJSMTNTFYDSKF-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93400;MM93400;C#CC#CC(C)(O)C=NN;LOXQNNYUYNPSNY-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93401;MM93401;O=CC#CC=CC(O)CO;ZEMMGULNLWBSJW-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93402;MM93402;N#CC#CC=CC(O)CO;BWSNYRGBHFBNQQ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93403;MM93403;CC#CCOC=CNC=N;KONGJGCTYNCXQL-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93404;MM93404;C=NNC(C#N)(C#N)CO;RSQJMKGRJOPNGA-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93405;MM93405;N#CC(O)C=CC#CCO;GIINAIGPMSBIKO-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93406;MM93406;C=CCCN(O)C(=N)N;IAIIXXBQJGLWOH-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93407;MM93407;C=CN(N)C=N;NYYFHEKLMSFVCX-UHFFFAOYSA-N;85.11;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93408;MM93408;O=CN(O)C=CC#CCF;FVYLDPYUHMBLLV-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93409;MM93409;COC=C(CO)NC(C)=N;CCHIYHLDEJZZPC-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93410;MM93410;CCC1(N)CC1C;QPPDWCWOZKUMRI-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93411;MM93411;CC(C)C1(N)CC1;BCEQMDPSJGINGM-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93412;MM93412;CN(C=O)N=CC#CCO;NSSMVVHGURLZIH-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93413;MM93413;CCC1(NC)CC1;PYIHBODUNRRGKT-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93414;MM93414;CC(N)CNC(C)C;RUGMSNPOEXDQLW-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93415;MM93415;CN(C=O)C=CC#CC#N;FKERSXNQMNGTOS-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93416;MM93416;CC(N)CC(F)CF;FAIQIKUMMFKSLI-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93417;MM93417;C=CCC(N)CCF;SDIMGHXIHMNLKL-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93418;MM93418;C#CCNC(CO)=NN=C;FZBLMMLZBQWRBA-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93419;MM93419;N#CC(C=CNC=O)=CN;QIINAPUHKWCVOY-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93420;MM93420;C=CC#CC=CN(O)C=O;PKOQHDSGXQCHFK-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93421;MM93421;O=CC#CC=CN(O)C=O;LOSKKIJJQKZQPH-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93422;MM93422;N#CC#CC=CN(O)C=O;JNLMXFMJCIQOHD-UHFFFAOYSA-N;136.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93423;MM93423;CC(C)C(N)CCN;FAKVQKOINPDRTH-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93424;MM93424;C=C(F)C(C)C(C)N;KAUDNYFHQTTXLP-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93425;MM93425;C#CC(C)NNC=N;ZYQYFFGAIZUCGV-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93426;MM93426;COC=CN(C)C=N;PHTIZHIHYINQTE-UHFFFAOYSA-N;114.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93427;MM93427;C=CC(CF)C(C)N;ZCLQDYHIZRKACL-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93428;MM93428;CN(O)C(=N)C#N;OEPCHCSISVRFLJ-UHFFFAOYSA-N;99.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93429;MM93429;CC(N)CC(F)C(C)C;GKKBXXHGAUMTFS-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93430;MM93430;COCC(F)CC(C)N;MPVBQUMDDCVCNQ-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93431;MM93431;CC(=CC(C)N)CCN;NLCCYCOBKJNIFV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93432;MM93432;C=CC(C)(N)CCNC;TXWQXRCQURFEJP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93433;MM93433;C=CC(O)CC(=O)ON=C;NLUQBZSHWDCOMN-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93434;MM93434;C=C(C=CC#CCO)CO;MIKXRRNAUJKTBL-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93435;MM93435;CN(C)N=C(CF)NO;ZFNDAVAHGVTQFE-UHFFFAOYSA-N;135.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93436;MM93436;COC(=O)C=CC#CCO;CDTOLMVYKCWUHS-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93437;MM93437;CCC(CO)N=CNC;LLFNHIAAZVYDCA-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93438;MM93438;CNC(=O)C=CC#CC=O;KMUYXYZEASYHOV-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93439;MM93439;O=CC#CC=CC(=O)NO;BUUIGAUBFQLYPZ-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93440;MM93440;N#CC#CC=CC(=O)NO;FLDZLVUWBYAUCJ-UHFFFAOYSA-N;136.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93441;MM93441;COC(=O)C=CC#CC=O;PGZBKCZANNQHHH-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93442;MM93442;N#CC(=O)C=CC#CCO;LFIRVUFRRYHWMA-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93443;MM93443;C#CC(COCCO)=NN;ZHKZYFMFIHAULC-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93444;MM93444;CC#CC(C)NNC=N;RFEAIMCNRUWGRM-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93445;MM93445;C=NOC(=O)CC(=C)CO;OZSJONTWXNRPPW-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93446;MM93446;CCOC=CN(C)C=N;OKTLNKDMSXAEJW-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93447;MM93447;CCC(C)C(N)CCN;HKTQMCDAQDHXDJ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93448;MM93448;CCCNN=CC(C)=NO;UYYYIXFRDJCZKU-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93449;MM93449;C=CN(N)C(=N)CCF;VAQQAVDAMPMHHV-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93450;MM93450;CC(C=NOCCO)=NO;GCOQZQSQJHEOOH-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93451;MM93451;CC#CC(CN)CCN;COULMWJWSSTFOK-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93452;MM93452;CCN(C=N)CC=O;DSFCMRAOORHWSZ-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93453;MM93453;C=CC(CNC)CC(N)=O;PBQWHOGATMRHNK-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93454;MM93454;CNN=COC(C)C=O;FIRUKWUSXWTVKU-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93455;MM93455;CC(C=NNCC#N)=NO;LSUHORXMSQAIGL-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93456;MM93456;C#CC=C(C=C)NC=N;YITWSGZBDDOSBX-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93457;MM93457;CC=NNC(=N)N(C)C;FUCYMJIBUMUCPX-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93458;MM93458;CN=C(C(=N)N)N(C)N;MTUNLEINJKETDC-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93459;MM93459;C=CC=NN(C)C(N)=O;KJZVEGUPYYDZJS-UHFFFAOYSA-N;127.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93460;MM93460;CC(C=CCC=NO)=NO;WJQGHUGZXLKVGH-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93461;MM93461;CC(C=NN=CNO)=NO;DLGOHFZOJOSXNL-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93462;MM93462;C=CNC(=NC)NOCC;VRSAMESUDFMXRJ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93463;MM93463;CC(C=NOC=NO)=CN;ZARUCJGRUJOHII-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93464;MM93464;C=CNC(=NN)N(N)C=C;LPAIKRLGVFONON-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93465;MM93465;C=NOC(=O)CC=CCO;WSRSVEJPELZTLQ-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93466;MM93466;CC(C=NOC=NO)=NN;RVPMKALUPMNCGE-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93467;MM93467;CCOC=NNCC=O;BZWOGVOHXKFYMQ-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93468;MM93468;COC=NNC(C)C=O;LFAPPFDAHLSMIG-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93469;MM93469;CC(C)=CC(F)CC(C)N;UMVBCHFPYKQCEX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93470;MM93470;C=NOC=NNC(C)C#N;WZYIBVIVMLVOCW-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93471;MM93471;CC(C)(N)CCNCCF;YRIZBPAPONNBOL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93472;MM93472;CNC(=NC=NOC)NC;ZEBNIXNFUKPZMD-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93473;MM93473;C#CCNC(=N)C(C)=CN;NNLZHKYVJADEML-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93474;MM93474;CC=NNC(=NN)OC=O;CLRSJKZCCYOEMC-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93475;MM93475;CC(C=CC#CC=O)=NO;NSHQUXNLZGJSFP-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93476;MM93476;CNCC=C(F)CC(C)N;LFDOHCIACMFWPF-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93477;MM93477;C=C(C)OC=NNC;BULKHDGISYOSIG-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93478;MM93478;COC=CNC(=N)C=CN;AMABIJZDIGCGJK-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93479;MM93479;CNN=COC(C)OC;ZSPNKKJEVOZBPH-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93480;MM93480;OCCCC#CC(O)CF;NPRFJCAKZRSLRF-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93481;MM93481;C=CCOC(=NN)ON=C;VVPARMNGBNAQAW-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93482;MM93482;OCCCC#CC(F)CO;IXRNQWZKMMRKMN-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93483;MM93483;CC(N)C=C(F)CCCN;KZKGSIRQRFWFJG-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93484;MM93484;CN=CN(C)CC=NNC;FWHFZDBNSUCENN-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93485;MM93485;CNCC(C)C(C)(N)CF;QVGXHQGDMJBPPN-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93486;MM93486;C=C(C=CC(C)N)CCN;GIJCTNWTWCIBBD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93487;MM93487;CCC(O)C#CCNC=O;NMGMJIDXZBGYPQ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93488;MM93488;C=CC(=C)OC=NN;FGKPBUFXKTYHNW-UHFFFAOYSA-N;112.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93489;MM93489;C=C(C=NNCC#N)OC;UBGBSIYBRFXAOQ-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93490;MM93490;C=C(NC=O)N(N)C(C)=O;YCWZKCKXQGGLLY-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93491;MM93491;CC(O)C=NOCCCF;TUUZPQLZIWXVPB-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93492;MM93492;CC(C)=CCC(N)CCF;XYXSXBFEJGMDSY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93493;MM93493;COC(=O)C(F)C=NN;ZNCWDHPFSZTTIM-UHFFFAOYSA-N;134.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93494;MM93494;CCC(C)CN(C)NC=N;RKPDNOWLBGIQKJ-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93495;MM93495;C=CC(C)CN(C)NC=N;KELPCSUXFLFZNT-UHFFFAOYSA-N;141.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93496;MM93496;COC(C)C#CCNC=O;FYNUEBFMJPMCJN-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93497;MM93497;C=NOC(C#CC=O)OC;OCTKXYAVUDDXKG-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93498;MM93498;C=CC(N)CC(=C)CCN;ZILCWXJOVCKFBO-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93499;MM93499;NC(=CC=O)NN=CCO;KXGJWUUOPWTLTH-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93500;MM93500;C#CCCC#CC(O)CO;FHENPGBCEMXKNM-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93501;MM93501;CC(C#N)C=NOCCO;WPQRJDNSCUJBTB-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93502;MM93502;O=CC(F)C#CCCCO;DRPYLVCYPYPWMV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93503;MM93503;N#CC(F)C#CCCCF;ZESWXUZOQSITPL-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93504;MM93504;CNC(=NOC)C(N)=O;MELCOVLXMSIYOM-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93505;MM93505;CCON=CN(N)C(N)=O;STPQCWXOSSRYHS-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93506;MM93506;C=CC(CO)C(=O)ON=C;PQPCQXLODIKAAD-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93507;MM93507;COCCC#CC(O)C#N;WPDAWJZGNHXXNF-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93508;MM93508;O=CCCC#CC(O)C=O;NSJMYAFOWBAPDA-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93509;MM93509;N#CCCC#CC(O)C#N;SGTXOLFYPFZRTA-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93510;MM93510;CC(C#N)C#CCNC=O;MSHHRJJGPKFEQM-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93511;MM93511;COC(=NN)C(C)CO;UPQYNYIIIKCAEU-UHFFFAOYSA-N;132.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93512;MM93512;C#CC(=NN)C(=C)C(N)=O;ZMHVZAWMCIRCQA-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93513;MM93513;CN(CC=O)C(N)=CC#N;PBNXBJITQFLTSF-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93514;MM93514;C=NNCC#CC(O)C#N;PLFIIIOQSXZMFK-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93515;MM93515;C#CCNN=COC;QTSSJNZQCXWXAC-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93516;MM93516;CCC(=CC(C)N)CCN;RNJYVMVPIGKIBM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93517;MM93517;C=COCC#CC(O)C#N;YLINFQKXJGLYNB-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93518;MM93518;CCC(=NO)C(N)CC;ITJRKRSRLYJNSW-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93519;MM93519;COC(CC(C)CN)=NO;FOAPYKFTUWVBBD-UHFFFAOYSA-N;146.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93520;MM93520;CCNCCC(N)C=CF;MDJDYXXXZDCHTF-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93521;MM93521;C=CCC(N)C=CCCN;GHLLJWCNFUOWFU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93522;MM93522;CC(CCF)C(N)CCN;WICXKBROHXGSEA-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93523;MM93523;CCOC(CCCN)=NO;GJKSJKJHWAADBM-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93524;MM93524;C=CC(CN)C(N)C(C)C;SMSNMBYKIIYVIV-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93525;MM93525;C#CC(O)C#CCOC=O;XGRPCJGJASKWDM-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93526;MM93526;C=CC=C(CCN)CNC;OVKRELJWNGEUPC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93527;MM93527;C=NNC(=N)C(C)(F)C#N;KKFVOHRWWCENGC-UHFFFAOYSA-N;142.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93528;MM93528;C=C(CCNC)C(C)=NO;IJOWNGYQOVYMCZ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93529;MM93529;C=C(C#CCCCO)CO;UAZLGHWZHWXZMV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93530;MM93530;C=CC=C(CCN)C(C)N;KSERRKXTZSXLRZ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93531;MM93531;CNC(=NN=COC)OC;PJTCNABPKNQAEF-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93532;MM93532;COCCC#CC(=O)CO;LDHGXKBNJGGKRX-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93533;MM93533;CN(C=N)CC#CCC#N;QUGYBDWTEKIGGG-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93534;MM93534;CC(C)=C(CCN)C(C)N;ATVHYMKDNKFRJM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93535;MM93535;CCC=CN(O)C(=N)N;WOAMRUSHSLEJOK-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93536;MM93536;C=CC(N)C(C)(CC)NC;YHOYUZTWVIXUGI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93537;MM93537;C=COCOC=NN;RHSLNVLZEXQVCO-UHFFFAOYSA-N;116.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93538;MM93538;CC(CF)NC(=N)CO;QFAIRIVRGQDCRN-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93539;MM93539;O=C(C#CCCCF)NO;WBKPTYZIPPRHJP-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93540;MM93540;CCC(CN)(CF)CCN;VEWFFGPDKMQEIQ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93541;MM93541;CC=NOC(C#N)C(N)=O;IDBGUBGIGINBKV-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93542;MM93542;CCC#CC(C)NNC=N;TWXFCLXDZPXMSU-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93543;MM93543;CC(CN)C(N)CCCF;NNMGKBXYKQVODH-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93544;MM93544;C#CC(=NN)C(O)C=C;YZFXVUYXHYUTQC-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93545;MM93545;CCC(=N)N(N)CC=CF;XBVTWKAADIARLD-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93546;MM93546;CN(CC(C)(C)C)NC=O;GCZFZMDRNWDTLN-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93547;MM93547;CCCC(CN)C(N)CC;PLMUZKDGHDHIQE-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93548;MM93548;CCOCC#CC(=O)NN;JYQZFQPRPAETRQ-UHFFFAOYSA-N;142.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93549;MM93549;CCOCC#CC(=O)NO;VHMNPTWUSUAXCX-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93550;MM93550;CCC(N)C(CN)CCF;VIHNDGYWGBJDQR-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93551;MM93551;COC(=O)C#CCCCO;UUJLWAJNAHDVMB-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93552;MM93552;CCC(CNC)C(F)CN;UWDMTROTJLBKEL-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93553;MM93553;C=CCCC#CC(=O)CO;QLATZPQNFRHXCQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93554;MM93554;O=CCCC#CC(=O)CO;TYXZMTOVZJMSQY-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93555;MM93555;CCC(=CCCN)CNC;WEQIACIAOQBULK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93556;MM93556;CC#CC=C(CN)NC=N;RTEBSMRWZNLZDF-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93557;MM93557;CCC(=O)C#CCNC=O;CRVBMZBAZFUFAU-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93558;MM93558;CNN=C(N)C(=O)CO;PMRGIGBODTWMIK-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93559;MM93559;CCNCC(CF)C(C)N;HFBLSJUNDFJSKX-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93560;MM93560;C=CC(CON=C)C(C)N;HPTMVLJHXIJWQF-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93561;MM93561;CC#CC(CO)=NN;MLOBOUFHOVAZAV-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93562;MM93562;CNC(=O)C#CCCC=O;PGSSHNCHBRLGQE-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93563;MM93563;N#CCCC#CC(=O)NO;KCEBQKRDCFLXIY-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93564;MM93564;CC#CC(CO)=NNC;BHGCDMDYPOXLTI-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93565;MM93565;C=CC(=CCCN)C(C)N;WDFOJXZMWZRXSN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93566;MM93566;C#CC(C=CCCN)CN;NOGKZWHSXBUOBB-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93567;MM93567;C=C(CNC)C(CC)CN;NXRVLBJWBXLPEV-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93568;MM93568;C=C(C#CCNC=O)OC;GIUALEBXSYNQOH-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93569;MM93569;C#CCCNCCCNC;ICWTUCBSFRTXQW-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93570;MM93570;CCCCN(O)C(=N)N;IIAJJJOOKGCUPG-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93571;MM93571;COC(=O)C#CCOC=O;PAZDSRPXJKJPPZ-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93572;MM93572;C#CCCC#CC(=O)NN;VIAUURHXHMFBQT-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93573;MM93573;CC(N)CCF;CTWNQUCWODHDGS-UHFFFAOYSA-N;91.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93574;MM93574;CNCCCN;QHJABUZHRJTCAR-UHFFFAOYSA-N;88.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93575;MM93575;CC(N)CC(C)F;YPDBRTGBYOVPCF-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93576;MM93576;CCC(=N)NC=N;RMMFGGLEKQQZSO-UHFFFAOYSA-N;99.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93577;MM93577;CCC(N)=C(C#N)C(C)O;OUTZHJAGAQORTN-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93578;MM93578;CC=NN=C(C=NN)CO;KQWQXZUVSKLNAB-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93579;MM93579;CCC(F)CC(C)N;OSAWWDKIPUFPEP-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93580;MM93580;C=CN(C=C)C(=N)NO;WLFWKEYXYCNERK-UHFFFAOYSA-N;127.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93581;MM93581;C#CC(=O)C#CCNC=O;SWPCCQOVHQPZAZ-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93582;MM93582;CNC(=O)N(N)C=NOC;KMWAQMYNOJXQJX-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93583;MM93583;C#CC(=O)C(=N)N(C)O;BXRSXSGRZWVTEH-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93584;MM93584;C=CN(C(=C)C)C(=N)NO;RVLJOOFJPZXYQZ-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93585;MM93585;CN=C(C)NCC(=O)C=O;YNGXMCIFUWMGGC-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93586;MM93586;CCC(=NNCCO)OC;DXZHOPIJTHVJPR-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93587;MM93587;COC(C)CC(C)N;VXWHJPHQSGRXKA-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93588;MM93588;C#CC=NNC=CC(N)=O;LPHOOLMLJVXNMZ-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93589;MM93589;C=CC(O)C#CCC=NO;WAGJBAQVUYHKPW-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93590;MM93590;CC(F)C(=CCO)NC=N;VTZNJGPOFLMIGK-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93591;MM93591;C#CC(CCCO)=NOC;HPIDONOUSCKEQD-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93592;MM93592;CC(N)C=CCCN;SBMKMBODVBHKRZ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93593;MM93593;C#CC(=N)N(C=NN)N=C;ZDORUYYXCZDLQU-UHFFFAOYSA-N;137.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93594;MM93594;CCNC(C)C(C)N;LLGJLRPFCYMOGI-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93595;MM93595;C=C(C#CCC=NO)C=O;GHUUCSYYVCDMAA-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93596;MM93596;O=CC(=O)C#CCC=NO;VARUIIZCVFVUTB-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93597;MM93597;C#CC(=O)C#CCC=NO;HHKDXVYXSYSWAR-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93598;MM93598;C=C(CCN)C(C)N;BDWIYCBEBQMJDH-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93599;MM93599;NN=COCOC=NN;OXEMWHQBCGTXQC-UHFFFAOYSA-N;132.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93600;MM93600;CCC(N)C(C)CN;PGXBLKMCNUKABP-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93601;MM93601;CN=C(C)N(C)NC;DFGCOAJIZKNKPY-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93602;MM93602;C=C(CO)CCC(C)N;MZSUDXHXXALDRW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93603;MM93603;CC(O)C=CC(C)C(C)N;VWQUHTDSOMXBLA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93604;MM93604;C#CC(CN)CCN;FXNDDIBTPNYTNP-UHFFFAOYSA-N;112.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93605;MM93605;CNN=C(CCOC)OC;QUYPGZSZXQJRLR-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93606;MM93606;CNCC(C)(N)CCF;QEGIBIYULHFCTJ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93607;MM93607;CC=NNC(=N)N(C)CC;ZEECJNXAEQJFPG-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93608;MM93608;CNCC(C)(C)C(C)N;DRUUYRRUVMZZRS-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93609;MM93609;CC(N)CC(F)CCF;MLABFXGDOJHAOA-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93610;MM93610;C=NN=CC#CC(O)CO;YPNZZUQDZQZUGC-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93611;MM93611;C=NOC(C)CC(C)N;UDTMZIPPFWZWJA-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93612;MM93612;C=NN=C(C=NN)COC;DXDOVLCBNDXRSE-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93613;MM93613;N#CC(O)C#CC=CCO;ZSUVRNSHZXWBML-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93614;MM93614;CC(CN)(CF)CCN;NFYFLXRMBFOEBS-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93615;MM93615;CON=CC#CC(O)C=O;JXTCUKVVRJUVQV-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93616;MM93616;CON=CC#CC(O)C#N;ZGXUYQROQNKAEX-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93617;MM93617;C=CC(C)(CN)CCN;WIKFGGFIZUBBQJ-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93618;MM93618;CC=NN(C)C(=O)C=CN;SGXHFURKYHWPOA-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93619;MM93619;C#CC(O)C#CC=CCO;ILJUMDVLDMVUEA-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93620;MM93620;C#CC(O)C#CC=NNC;KNHKRFKEMALEMK-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93621;MM93621;C=CC(=N)NC(=C)OC;GHUJDRQUAVYEIL-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93622;MM93622;C#CC(O)C#CC=NOC;UEGWQUBPXNLNTH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93623;MM93623;CC(CN)CCN(C)C;NMBDSTSMIIILMP-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93624;MM93624;CC(C)N(C)NC(N)=O;GQWZOODSEYAYOW-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93625;MM93625;CCN(CC)NC(N)=O;QKCJEILQEHVAKV-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93626;MM93626;C=C(C#CC=CCO)CO;IHJWWAHXRYPNBT-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93627;MM93627;NCCCC(N)C=CF;ZMTWHTZXAXAJSJ-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93628;MM93628;C=CC(N)CCNCC;ZEJDNJPUJUCAFP-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93629;MM93629;CC=NNC(C#N)C#N;PMGXPSQWTBRLSR-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93630;MM93630;CCCC(N)C(C)CN;LKLISQBWOZVLBO-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93631;MM93631;CCN(C)NC(=O)C(C)C;HFBKJUPLQAMTMO-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93632;MM93632;CCNC(C)C(N)CC;REGGFPATTXKCEP-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93633;MM93633;C=CC(COC)C(C)N;PVPJFULRTZUBDL-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93634;MM93634;CNC(=O)C#CC=COC;YIIFXDICVDXPDU-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93635;MM93635;COC=CC#CC(=O)NN;HYDANTNTHWUNPG-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93636;MM93636;COC=CC#CC(=O)NO;MBFIPJZFDXXDIH-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93637;MM93637;CC=C(CCN)C(C)N;HWGWJLBEVLNKBU-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93638;MM93638;CNN=CC#CC(=O)NN;BDLHZPVZKLULKE-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93639;MM93639;CNN=CC#CC(=O)NO;ARSNPERFTCMZSM-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93640;MM93640;NCCC#CCCCN;WIWYHCLUYHPVCL-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93641;MM93641;N#CCNC=NOC(N)=O;WRBDOQLSBGNPHO-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93642;MM93642;CC(N)CC(F)CC(C)F;DZFRDBXYOCUTCR-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93643;MM93643;COC(=O)C#CC=CCO;YARMWDNUYYFICP-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93644;MM93644;CC(N)CC(F)CN(C)C;VSENYNLCUNXTRW-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93645;MM93645;CNC(=O)C#CC=CC=O;DUDXNANLELVONO-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93646;MM93646;CNC(=O)C#CC=CC#N;NVLACXGCFLWBQH-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93647;MM93647;C=CC=CC#CC(=O)NN;QTKCYNVBUGWMKY-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93648;MM93648;O=CC=CC#CC(=O)NO;FUUJVWPTHYVAGM-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93649;MM93649;N#CC=CC#CC(=O)NO;RKWLJUDRMUPMKY-UHFFFAOYSA-N;136.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93650;MM93650;CN=C(C)NC(C)C=O;ZUPQSEYETIKSTP-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93651;MM93651;C#CC(N)C(C)C(C)(C)N;YIVKCKXQMKROFV-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93652;MM93652;C#CC=CC#CC(=O)NN;WVMLLHULJHLSKF-UHFFFAOYSA-N;134.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93653;MM93653;N#CC(=O)C#CC=CCO;VLVKABIWSJJCLK-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93654;MM93654;C#CCNCCC(C)(C)N;WJCMLHSYHNENBA-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93655;MM93655;C=C(C)C(C)(N)CCNC;ZTIXFALKRVSWCD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93656;MM93656;CC(N)CC(F)CCCF;NQDXJZWXHWSFHW-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93657;MM93657;C=C(C#N)C#CC=CC#N;FVUUPIVSTLWUBD-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93658;MM93658;CNN=CC#CC(F)C=O;PHTWWILVHSKSEA-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93659;MM93659;CC(CO)=NNC=CC=O;IFFMDGZKUMBBEV-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93660;MM93660;CC(F)=CC(N)CCCN;YOQSVLVWXJRCKM-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93661;MM93661;COC=NNC(CO)CO;QRJOVWXGINJJDF-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93662;MM93662;CNC(C)(C)C(N)CCF;ZQTYHZRAXQGROU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93663;MM93663;C#CC=NOCCO;DVOJOAQRGJKDOB-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93664;MM93664;C#CC(=NN)ON=CNO;KMWVFXBOJGEZGT-UHFFFAOYSA-N;142.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93665;MM93665;CNN=C(CC(C)O)OC;YCTNUGFGHPCMNI-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93666;MM93666;CON=CC(=CCO)OC;XUNFBVUEALIYPR-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93667;MM93667;COC(C)=NNCCO;UQLUIOXRSHRBCI-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93668;MM93668;C=C(C)C(C)(CN)CCN;BGCWPWBKUKNTIX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93669;MM93669;CC(C#CC#CC#N)CO;ZBJRVHQSDFZNOJ-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93670;MM93670;N#CC=C(N)C=CCO;JAGJITASZNEIDF-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93671;MM93671;N#CC#CC#CC(O)CO;MIUZPLUZABEKNQ-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93672;MM93672;C#CC(=NN)NC(=N)NC;KHOVGPSUPUJLSD-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93673;MM93673;CC(C#N)C#CC#CCO;YAVWBXZKMJHQIQ-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93674;MM93674;CC=C(C)CN(N)C(C)=N;ZXHPJCILZFVYKU-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93675;MM93675;CN(C)C(=NN)C(=N)N;WKJVAOAILVTYGS-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93676;MM93676;C=CC(O)C#CC#CCO;JZKMUVPLHAGYQF-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01647;MM01647;CC(C#N)C#CC#CC=O;MJYUWBVCOLIWTG-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93677;MM93677;N#CC#CC#CC(O)C=O;MTYPBSSBHDEIGA-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93678;MM93678;N#CC#CC#CC(O)C#N;QJSJNLQUDOZORB-UHFFFAOYSA-N;130.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93679;MM93679;CC(=CC(=N)N(C)N)CF;DWVFVUBJDRNFHO-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93680;MM93680;N#CC(C=CCO)=C(N)N;BNGVSNQOYVSNJW-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93681;MM93681;C=NNC(NC)=C(F)C#N;AUEJDAJMANAZMX-UHFFFAOYSA-N;142.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93682;MM93682;C#CC(O)C#CC#CCO;BVPFIDLGRYEMNX-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15427;MM15427;C#CC(O)C#CC#CC#N;PQICRZFPMMNTKX-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93683;MM93683;CNC(C)=CC(=N)N(C)N;AXDPKKRPXVYKPR-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93684;MM93684;C=NNC(=NC=O)OC=O;OWFVBQLHUAWLSM-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93685;MM93685;C=C(C#CC#CCO)CO;MWBSUQYEPUKPPI-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93686;MM93686;CC(C)CCN(C)NC=N;DLTMASJKSYZLPE-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93687;MM93687;C=NN=C(C=NNC)NC;BTWJKUNFVFUNSK-UHFFFAOYSA-N;141.18;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93688;MM93688;C#CC(C=O)N(C)CC#N;BHLJOUOIPPNOPX-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93689;MM93689;NNC(=O)C#CC#CCO;LNEGQTQIWYAWPA-UHFFFAOYSA-N;138.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93690;MM93690;NNC(=O)C#CC#CCF;NJGQGRNPZFWQNV-UHFFFAOYSA-N;140.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93691;MM93691;CC(C)ON=CCF;BPVOAJPTHJPXAA-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93692;MM93692;O=C(C#CC#CCO)NO;QVTFDYKYLAAXMX-UHFFFAOYSA-N;139.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93693;MM93693;O=C(C#CC#CCF)NO;PLPCAXUKQZWFCO-UHFFFAOYSA-N;141.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93694;MM93694;CC(CN=CN(C)C)=NN;IFFUOCMTQOVHEF-UHFFFAOYSA-N;142.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93695;MM93695;COC(=O)C#CC#CCO;NMLNMEPAGMSYOD-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93696;MM93696;C=C(C#CC#CC#N)CO;NQRWNGTYXMRMTO-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93697;MM93697;N#CC#CC#CC(=O)CO;RFJDCAMBCLQFRX-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93698;MM93698;CN=CN(C)CC(C)=NN;JFDBWAHJIONUOS-UHFFFAOYSA-N;142.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93699;MM93699;NC(C#CC#CC=O)=NO;XTOLOFYUXPLWON-UHFFFAOYSA-N;136.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93700;MM93700;CNC(=O)C#CC#CC#N;HROHUJJTPHXXKY-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93701;MM93701;C=CC#CC#CC(=O)NN;PKRAWVDANMSMBA-UHFFFAOYSA-N;134.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93702;MM93702;O=CC#CC#CC(=O)NO;QETCZFYQPWROMB-UHFFFAOYSA-N;137.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93703;MM93703;N#CC#CC#CC(=O)NO;VDIZUTAGVDXEBP-UHFFFAOYSA-N;134.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93704;MM93704;COC(=O)C#CC#CC=O;WUZDHGQNLXRSJY-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93705;MM93705;C#CC#CC#CC(=O)CO;PBOWVNNUTZAXEE-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93706;MM93706;C#CC#CC#CC(=O)NN;BDNLFZZYFLPUSN-UHFFFAOYSA-N;132.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93707;MM93707;C#CC#CC#CC(=O)NO;ROGFJMOMTIUWRE-UHFFFAOYSA-N;133.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93708;MM93708;N#CC(=O)C#CC#CCO;NKBJSIHYFPZEIY-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93709;MM93709;C=C(C#N)C#CC#CC#N;MTAHWXDIIGDHEJ-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93710;MM93710;CCC(N)C=C(C)CCN;SQQSURBBAQAUPS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93711;MM93711;CC(C#CCCCO)=NO;WPZOOVVCBCWCCD-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93712;MM93712;CNCC(C)=CC(C)CN;ROYYUMAFGZMIMW-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93713;MM93713;COCCC#CC(C)=NO;AATLANBCGBCJTI-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93714;MM93714;CNC(=N)C=C(F)C=NN;WCFZLKJMCVZIDJ-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93715;MM93715;C=NNCC#CC(C)=NO;BQINJUSKIVJZOT-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93716;MM93716;C=NOCC#CC(C)=NO;WWIFTRDLVVOVTH-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93717;MM93717;CC(C#CCC=NN)=NO;OGRZXAFDSLKYHL-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93718;MM93718;CC(C#CCC=NO)=NO;BNNYZZYLBGPHQU-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93719;MM93719;C#CCNC(=NN)C(=N)N;RVWXBEFEFHXCMJ-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93720;MM93720;C=CC(N)C(F)CC(C)N;LQXXCTAJJWRUGJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93721;MM93721;CNN=CC#CC(C)=NO;CDHNMNXJDKWDQE-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93722;MM93722;CC(C#CC#CCO)=NN;OXJNMLZWVVCIGM-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93723;MM93723;COCC(C#N)C=NOC;HRUUFVPOGDDCKE-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93724;MM93724;CC(C#CC#CCO)=NO;NOSZRDLIDOOKDJ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93725;MM93725;CC(=CC(C)N)C(C)CN;FMHVVRNKKSHCQH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93726;MM93726;COCC(CC(C)N)OC;LBAHRDRMWSVDMD-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93727;MM93727;CC(=COCCCO)CO;OZHXHTGBTSBRKD-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93728;MM93728;CCOCOC=C(C)CO;VCGYPGCMQRISCH-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93729;MM93729;CC(N)CC(CF)OC=O;DYBJQKYWGGZEMS-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93730;MM93730;C=NN=CNC(=N)NCC;XNBJAVFVOPPUTG-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93731;MM93731;N=CNNC(=N)NC=N;VRPJDRQJZWIHGE-UHFFFAOYSA-N;128.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93732;MM93732;CNC(=O)NN(C)C(C)C;SKJFAJQYSQKEGJ-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93733;MM93733;C=NOC(CF)CC(C)N;NEVZSOHNBGKSLC-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93734;MM93734;CCN(CC)NC(=O)NC;WYXXPLMEPPBOIF-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93735;MM93735;C=CN(O)C(=N)C#N;QDZGWWWEEPOJNN-UHFFFAOYSA-N;111.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93736;MM93736;CC(F)COC=CNC=N;WBFGIUBRJCBRPT-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93737;MM93737;C#CC=CN=CNC(=N)N;BTJNEACWVYTOEM-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93738;MM93738;C=CCCCN(C)NC=N;CAEFVXMYSCDGJZ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93739;MM93739;C=C(CNC)C(C)CCN;YFHVYOBOYMJUFG-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93740;MM93740;C#CC(=N)N(NC)C(=N)N;BOLFYRWKVBHJOZ-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93741;MM93741;CC(=CCOCC#N)CO;XTRSXLGSQHZEFL-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93742;MM93742;N#CCOCC=C(F)CO;JDWIZLXHCLQJIH-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93743;MM93743;COC(C)=CCONC=O;YIQUOBDBRRGCDU-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93744;MM93744;C#CC(=O)C(=N)N(O)C=C;QMOVYFZBFFVPNP-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93745;MM93745;C=CCC(N)C(=C)CCN;JGCSNRWBVZKSMW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93746;MM93746;CNC(=O)N(CC#N)NC;SHOYIJFFKKWJMA-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93747;MM93747;CC(CCN)=C(C)C(C)N;QUDQPPUWUWGCJD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93748;MM93748;COC(C)(C)ON=CCO;DOWDIDZQQQQCQX-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93749;MM93749;C=CCCC(C)(CN)NC;BEIKZOAVRCMCFJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93750;MM93750;C=C(C)OCON=CCO;RUQVOPDBBIOUFL-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93751;MM93751;C=CCC(=NN)OCCO;HQKKNMPNBVQKFG-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93752;MM93752;CCON=C(NC)C(N)=O;QNQICASOMVUDSE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93753;MM93753;C=CC(N)(CC)CCNC;OEOZHUHYEOLNBF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93754;MM93754;CC=CNC(C=O)=NNC;MXJFWPRCNIQFIG-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93755;MM93755;N#CC(F)=CNCCCO;LHRHELJDLPRXPS-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93756;MM93756;C#CC(CC)(CN)CCN;UFBKWDHHZOTFDK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93757;MM93757;N#CC(F)=COCCCO;IOUFBABZNZSYTN-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93758;MM93758;C=CC(C)CNC(C)CN;KWPXMCDUNYKESC-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93759;MM93759;C=CC(=N)NNC(C)=NC;GUDSFHZDPTWKGG-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93760;MM93760;CNC(C)C=CC(C)CN;KVKVSVAISZFMCS-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93761;MM93761;C#CC(=NC)NNC(C)=N;HHJZAFBOVFLUHY-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93762;MM93762;CC=NN=CNCC#N;DRYCKTROFMEIGW-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93763;MM93763;CCCCC(N)C(C)CN;MMXQJPMXNLYTRF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93764;MM93764;C=CC(C)C(C)NCCN;NPNIWHHDXDIQOW-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93765;MM93765;C=CC(N)CC=CCCN;POMIQKBQOPFDFN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93766;MM93766;C=NOC(=NNC)OC;RGKANSCQNDLIFM-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93767;MM93767;CC(C#N)=CCOCC#N;OOAOVEBVWLZHET-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93768;MM93768;N#CCOCC=C(F)C=O;DQTCMHLBWJHKQU-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93769;MM93769;CC(C#CCCCN)CN;KVPSYSYMYNGAAQ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93770;MM93770;CC(C#N)=CCONC=O;JGXPELPZLMXNHF-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93771;MM93771;C=COC=NNC;FLWFNVFPWSWDLP-UHFFFAOYSA-N;100.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93772;MM93772;CC(C=O)=CNCCC#N;RNCSGXAHMXJGNB-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93773;MM93773;N#CCCNC=C(F)C=O;BJMPATNGFWFLLR-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93774;MM93774;N#CCCOC=C(F)C=O;IQAZTFZONRIFLL-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93775;MM93775;C=CC(C)C(CN)NCC;KRBOFAVJNKNBDH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93776;MM93776;C=CC(OC)OC=NNC;UFVFRFKIIKWHQG-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93777;MM93777;C=NNC(=N)C(C)NC=N;KNLJVFZUNRSLDO-UHFFFAOYSA-N;141.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93778;MM93778;CC=C(CCCN)CNC;PEQYZWHTWOZCJQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93779;MM93779;C=CC(COC=O)C(C)N;ZGODWQCAUWMEQT-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93780;MM93780;C=CC(CCNCC)NC;FPJDIZISLBPIII-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93781;MM93781;C=C(C=NOC)OC=NN;QTPFOHZPIMPGQB-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93782;MM93782;CC(=O)C#CCN(C)C=N;UURVGZZTGIZKQL-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93783;MM93783;C#CCCNC(CN)=NC;VJAOLSHVQSBGHF-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93784;MM93784;CNC(CN)C(C)CCF;CZLLRQOIMOHYIX-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93785;MM93785;C#CC(C)=CCONC=O;JHRWMRJCNMXXBB-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93786;MM93786;CC(N)CCC=NNC=N;UCNOVEQTPWNYEH-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15402;MM15402;CC(=CCCC=NO)CF;SXKVMPVTJJPQNG-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93787;MM93787;COCCOC=CNC=N;OKWKQRZWCIHFTM-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93788;MM93788;N#CC=CNC=N;VWUHEIAKMQVRBA-UHFFFAOYSA-N;95.11;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93789;MM93789;C#CC(=NNC)C(O)C=C;SNRCZZLXYUFYID-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93790;MM93790;C=NOC(=NN)C(N)=O;PVKNPOUFUCVOBM-UHFFFAOYSA-N;130.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93791;MM93791;COCCC(C)N;GASMMXGMCKCSJL-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93792;MM93792;CCC(C)=NNCC=NO;JKJBLAHFABPNSE-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93793;MM93793;C=NN=C(C=NN)C(C)O;NWXJDFIWTRDHAV-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93794;MM93794;C#CCCN(O)C(=N)C=O;XIXPGQVINUVPFW-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93795;MM93795;C=CC(=NC)NN;MREHFPGLMAHYTN-UHFFFAOYSA-N;99.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93796;MM93796;COC=CNC=N;HAGOVJOJLPHNTM-UHFFFAOYSA-N;100.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93797;MM93797;CC(C#N)=CNCC=NO;XYOZDPHLEUOODR-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93798;MM93798;CCC(=N)NC(C)=N;JCHYSNVBNAGQRC-UHFFFAOYSA-N;113.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93799;MM93799;C#CC(C)=NNCC=NO;GZKVJWJLHBLXSM-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93800;MM93800;CC(N)CCOC=O;UXEJPUZKDZDBQT-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93801;MM93801;C=CCC(N)C(C)=NO;SJEHHJOWLLOOEZ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93802;MM93802;C#CC(=C)CCNC;FQXWFTCHJSWLBA-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93803;MM93803;CCN=C(NO)C(C)=O;XPROCROKENIFBR-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93804;MM93804;CNC(CN)C(C)C;INAWYAVKDZRHFP-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93805;MM93805;CCOC=CNC=N;VCXARVKMRWXUIG-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93806;MM93806;CC(=O)OCCC(C)N;QLIABFUCGAPTLK-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93807;MM93807;C=C(C)CN(N)C(C)=N;XRBXGECLGHHTPS-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93808;MM93808;CC(=COC=CCO)CO;RJCUZVWRTMJENY-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01703;MM01703;COC=COC=C(F)CO;CXYLORGEEHHAAL-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93809;MM93809;COC(CCCCN)=NO;CADZNBYDEZLNEO-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93810;MM93810;CC(N)CC(N)CCF;ZIFCMLVNQUBANS-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93811;MM93811;CON=COC=C(F)CO;JHPYGPKJAOGZSL-UHFFFAOYSA-N;149.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93812;MM93812;C=NOC(=O)CC(C)O;YXPBLAJNNRFKFO-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93813;MM93813;CC(=COC=NO)CCN;ASAONTQDFDOORM-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93814;MM93814;CON=C(CC=O)CCF;FYZKSYFLCFLWAK-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93815;MM93815;CNCCCCC(C)=NO;HTRVIKKCSJDSNG-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93816;MM93816;CNCC(F)CC(C)N;BMWQYQCXBPFKAW-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93817;MM93817;CNC(C)C(C)(C)CN;ULJOOYGJXGWHKP-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93818;MM93818;CNC(=N)C#CCC#N;TXKBNARSLKOCPM-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93819;MM93819;C#CC(C)(C)C(C)NC;JOBYGHIITPNEKR-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93820;MM93820;N#CC=COC=C(F)CO;JRBDFINTFWEPFH-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93821;MM93821;C=NN=COC=C(F)CO;NGXWPCAWGMFDQQ-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93822;MM93822;C=NOC(=NOC)C(C)=O;FJBWWOHOSLUKDE-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93823;MM93823;C=NOC(=NNC)ON=C;QHQQXISCZYSEGX-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93824;MM93824;C#CCOC=NNC;BQECYENJTARICM-UHFFFAOYSA-N;112.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93825;MM93825;CC(CO)=NN=CNC=O;VGJCGGXHAGMHFH-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93826;MM93826;C#CCOC=NN;HRYRLMZLWWLQJE-UHFFFAOYSA-N;98.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93827;MM93827;CC(F)COC=NN;GUENUMFFSSFESF-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93828;MM93828;CNCCC=CC(C)=NO;DRFRALBYBAANPN-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93829;MM93829;COC(C)=NN=CNC=O;YPYKMUPWJSGTKE-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93830;MM93830;C=NOC(=O)C=CN;JPGWMTPOOWLOHQ-UHFFFAOYSA-N;114.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93831;MM93831;C#CC(C)(CN)CCN;LVZZYBJCNRDEHJ-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93832;MM93832;N#CC=C(N)CC(=O)CO;DUOPSZBTKNVMMN-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93833;MM93833;CON=CC#CC(C)O;BKZGCTQQDXZXCC-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93834;MM93834;CC(=O)CC(C#N)=CN;UTSCZUJRDIPPDO-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93835;MM93835;C=C(C)C#CC(CO)=NN;IYODZHXFCDJCPD-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93836;MM93836;C=NNC(=O)C=CNC=N;PXENZFDSWWCWTL-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93837;MM93837;O=CC(F)=COC=CCO;UCHZZGDUBFCYIP-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93838;MM93838;CN(C)N=C(CO)CO;LNTGPUWQBFHSSL-UHFFFAOYSA-N;132.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93839;MM93839;CC=NOCC(=O)C#N;LMQXGVRGQQLQRH-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93840;MM93840;CC(CO)=NOC(C)CO;LVGKUUGICZJYFT-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93841;MM93841;CC(N)C(C)CC#CCO;UKQSLBNYJSTGOP-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93842;MM93842;CC(O)C#CCN(C)C=N;KBPACZBHHRSGBF-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93843;MM93843;CCN(C)N=COCC=O;WEVTWTKOTUGSIM-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93844;MM93844;C#CC(=N)NNC(C)=N;KAKPBMAKBQTWNI-UHFFFAOYSA-N;124.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93845;MM93845;CC(N)C=CC(C)CN;MHNQZTQHMMOFLS-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93846;MM93846;C=CC(C)=CN=CNC=O;JUHWUTZWWCMEEA-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93847;MM93847;CC(C#N)=CN=CNC=O;MSVIXCMDPOWBNK-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93848;MM93848;C#CCOCCC(C)N;GCRMGEROSIFVJM-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93849;MM93849;C=C(CCCN)CNC;ZZCDOQNCKPYRCE-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93850;MM93850;C=C(OC)C(CO)=NNC;ZOZIBLGCOIOASX-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93851;MM93851;N#CC=NNC=C(F)C=O;UFVSRXYOXKBXRT-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93852;MM93852;N#CC=COC=C(F)C=O;ODWYYPXLUVGAQT-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93853;MM93853;CC=NOC(=NN)N(C)O;OVGNTNMNXWMOOS-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93854;MM93854;CC(=NN=CCO)N(C)O;YQIVHWMTSSIAJX-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93855;MM93855;CC(C=O)=NN=CNC=O;ZQSOXZAUULKOBR-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93856;MM93856;C=C(CCN)CNCC;WSGMNQDXINPFCW-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93857;MM93857;C#CC(C)=CN=CNC=O;PEQWHVPDLWTNPL-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93858;MM93858;C=C(C(C)N)C(C)CN;JJYCTQOYJUGXTK-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93859;MM93859;C#CC(F)=CN=CNC=O;YCOSCWDTPPXFSV-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93860;MM93860;C#CC(C)=NN=CNC=O;HYBJBDUFBLDKDW-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93861;MM93861;CC(=N)N(N)CC=CF;SKLCRKUGDPFQIS-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93862;MM93862;CCN=C(CO)NCC;HLWPRKMSFBPWBU-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93863;MM93863;CC(=CCCN)C(C)N;UJIHTLHRLILMJC-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93864;MM93864;C=C(CCN)C(N)CC;HQHZOFNGXWPFHS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93865;MM93865;C=CC(CNC)COC;QJIMYTNKOZTWMO-UHFFFAOYSA-N;129.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93866;MM93866;C#CC=NOCC(=O)NC;VFGJIMFQMBECNM-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93867;MM93867;C=CC=NN=C(C)N(C)O;PQGALUMEHYOJLB-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93868;MM93868;CNCC(C=CF)CN;BDLSBLMOYRYQKW-UHFFFAOYSA-N;132.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93869;MM93869;CCC(C)C(CN)NC;OWWSIPIIMBTABG-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93870;MM93870;C#CC(CN)C(C)CN;AOFSIFNQQZYBDD-UHFFFAOYSA-N;126.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93871;MM93871;C#CC(C)ON=CCO;QBKMDIOVRURPGI-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93872;MM93872;CC(=CC=CNC=O)CO;PIFOPEZCTHGYDN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93873;MM93873;CNCC(C)(F)CC(C)N;WBQAUKRFQFQGSW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93874;MM93874;C=CC(F)CON=CCO;YHUMEXBNIKJYBQ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93875;MM93875;CCN=C(C=O)NO;RLUMDROQVFUFJS-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93876;MM93876;CC(=CC=NNC=O)CO;AVAJPDAFTJEJLB-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93877;MM93877;C#CC(=NN)NN=CCO;DZZPMSZUFBAYJY-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93878;MM93878;O=CNN=CC=C(F)CO;MOXZLGGZLBIMLC-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93879;MM93879;C=C(F)C(C)(C)NNC=N;DGKKCGLFWNNSIP-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93880;MM93880;C=NOC(=O)C(C)CO;DOUXDANPQYNZFO-UHFFFAOYSA-N;131.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93881;MM93881;CC(=CCO)C(N)=CC#N;YWEQAGUYMRRMBH-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93882;MM93882;CC(=CC(C)N)CCCN;YSLMYRDOLGZDKZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93883;MM93883;COC(C)=NN=CCC#N;DMPCMPYJBHZIDG-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93884;MM93884;CCOC(CCO)=NNC;XOQKHLAMQUBXSU-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93885;MM93885;COC(C)=NN=COC=O;PUOVCGDCGPKTDL-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93886;MM93886;C#CCC(C)(CN)CCN;RWQBHNVYNJYZNU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93887;MM93887;CCNN=C(CCO)OC;CTAIBYPSVKYGNB-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93888;MM93888;CCOC=NN=C(C)C#N;WYSRVNNURNQYHV-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93889;MM93889;CC(C#N)=CC=CCC#N;IPBQHDMFNCARTB-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93890;MM93890;CC(C=O)=CC=CNC=O;HZMXPALBBAZOHE-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93891;MM93891;C=C(C)C(N)CC(C)NC;KNPZRJBSJWWSEE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93892;MM93892;O=CNC=CC=C(F)C=O;MQQZWXFPWRPSKW-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93893;MM93893;CCOC=NN(C)CC=O;KGVSYAFCVVMDBZ-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93894;MM93894;N#CC(=CN)CC=O;GNTURIALYIQNHX-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93895;MM93895;C#CCN(CC#N)CC=O;PQOWKWGLNYCRJD-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93896;MM93896;O=CNN=CC=C(F)C=O;UGUWIJYPOMFXAV-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93897;MM93897;C#CC(=C)CC(=N)N(C)N;GRQRQVVGABMUCB-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93898;MM93898;CC=CNC(=N)N(C)O;PLLBDFHRYZWREI-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93899;MM93899;CC(N)C=CC(C)CCN;YTFLRZQXFHQONA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93900;MM93900;COC(C)OCCC(C)N;RSRZVDSDPPADQC-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93901;MM93901;C#CC(=O)C(N)=NNC;AUTVDVJGBQLSQW-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93902;MM93902;C#CC=NNC(=N)ON=C;XWCKCRNYZXFZOJ-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93903;MM93903;COC(C)=NN=CC=NO;JFHRUNZLAYKYND-UHFFFAOYSA-N;143.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93904;MM93904;CC(C=O)=CC=CC=NO;QUTPANDDDRVQBD-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93905;MM93905;C=CC(=O)OCCC(C)N;CMXONBKPSHSXGT-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93906;MM93906;C#CC#CC(O)C=NNC;ZFUQVNBGIHXBLL-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93907;MM93907;CCC=CNC(=N)NO;ARXRCVZHSZPHLF-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93908;MM93908;C#CC1C(C#C)C1(O)C#N;VKTWRBDQJFGIBO-UHFFFAOYSA-N;131.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93909;MM93909;C#CC1C(C#C)C1(F)C#C;ANYHLIZPRPGOCU-UHFFFAOYSA-N;132.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93910;MM93910;C=NN=C(C)CC(=N)NN;KDMJSPQJTSUIJC-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93911;MM93911;CNCC(C=C(C)F)CN;AAICTIPLIJDCLI-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93912;MM93912;CNCC(C=C(F)F)CN;SJLAGGYQSODHMU-UHFFFAOYSA-N;150.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93913;MM93913;C=COCOCCC(C)N;FVYDYFRSSGERPA-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93914;MM93914;C#CCCCNCC(C)N;ISTMQVQLESSJSC-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93915;MM93915;CC(C)C#CCNNC=N;SJJKYYAEAYXIKU-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93916;MM93916;CCCNCC(N)CCF;PXVILKPJLWEYII-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93917;MM93917;C=C(CCCCN)CNC;VZMVJWISMQOJQR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93918;MM93918;COC=CNC(=N)CCF;LWYOHLHGKKCPPR-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93919;MM93919;C=NOC(CC#N)=NNC;ONXGVKINVQCZEY-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93920;MM93920;CNCC(C)=CCCCN;JIZZTZKHRVUNTC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93921;MM93921;C=C(CCN)C(N)CCC;ZTUVHWGIEGAXFM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93922;MM93922;N#CC(=CN)CC(=O)CF;WSTHCAIHBLGYIF-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93923;MM93923;C=CC=NOC(=O)CO;WUOWWZXLZWKNRF-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93924;MM93924;CCC(COC)C(O)CO;BVBHJXOCNIWUHZ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93925;MM93925;CC(O)(CO)C(N)=CC#N;ZTVLVWQEGASCLE-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93926;MM93926;CCC(O)C(CO)COC;PGIXSOYFCYWGSZ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93927;MM93927;C#CC(OC)C(C)C(C)N;WWTUSIUNAZXUKY-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93928;MM93928;C#CC(C#C)N(N)C(=N)N;BXWJIVIIYBEBCL-UHFFFAOYSA-N;136.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93929;MM93929;C=C(C)C(N)CCNCC;CCHLVARGZKXZDI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93930;MM93930;CNCC(C(C)C)C(C)F;PNCFKMPFKPWPEX-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93931;MM93931;C=CCC(C(C)N)C(C)F;HYVUOTZLAQUHCL-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93932;MM93932;CC(CN)(CF)CCCN;VFIHAWPBLHRQLU-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93933;MM93933;CCNCC(C)(CC)CN;ZONIJZXQFPLZGA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93934;MM93934;CC(C)=NOC(=NN)NO;OEIBOJYBSDUTBT-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93935;MM93935;C#CC(N)CC(CC)NC;HJETWOXOBSXGKQ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93936;MM93936;CC(CN)C(N)C(C)CN;VEWDZDVVDXNURT-UHFFFAOYSA-N;145.25;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93937;MM93937;CN(C)N=CC#CC(N)=O;SGSOFRKXMYERKQ-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93938;MM93938;CCN(C)C(C)C(C)CN;DMQYEUJYRHKGMT-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93939;MM93939;C#CC(N)C(C)C(C)NC;JDQWKCQDCZWBGJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93940;MM93940;CNN(CC#N)C(N)=O;BBXCUNBSYHFSGJ-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93941;MM93941;C=C(C#CCN)CCNC;HEMPMZHTHWWJNT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93942;MM93942;C=C(CF)C(=N)NNCC;ZDSBYGDSJBUILS-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93943;MM93943;CC(=CF)C(N)CCCN;XRYRIKJYMANSEA-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93944;MM93944;CC(CN)CNCCCF;HVKBFPGGGPFGJB-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93945;MM93945;CC(=NN=CNO)N(C)O;DUELRCCBVGQNSJ-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93946;MM93946;CCC(O)C(CCO)OC;PLKHKDWNPZQDBP-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93947;MM93947;CCCC(OC)C(O)CO;KAWNCMINRYSNLT-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93948;MM93948;OCC=NOCCCF;QZBIRLQZUBKSJK-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93949;MM93949;CCC(O)C(COC)OC;CSYKNEPUTQLMQW-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93950;MM93950;C=CN(C)C=NCCNC;DGSHEHRCIFOIIW-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93951;MM93951;CNC(CCF)C(C)CN;LMSHRXZGTXDCDH-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93952;MM93952;C=CC(C)C(CF)CNC;MOYUXJNSHKPRCQ-UHFFFAOYSA-N;145.22;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93953;MM93953;CNCC(CCCN)OC;POMLHAVEDBWCEA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93954;MM93954;CCOC(CN)CCNC;CJCJSBPYSVACNU-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93955;MM93955;CCOC(CO)C(C)CO;WPVBDCOBSCEZCN-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93956;MM93956;C=CC(CNC)CON=C;JQHDNRRMJXCGHW-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93957;MM93957;C=CN(C=NC)CCNC;RQFJGXJWTDLLER-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93958;MM93958;O=CON=CC=CCO;PYZPPFVMAIZZJZ-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93959;MM93959;C=NN=C(CNC=N)OC;SMMMWCQBPPXSEP-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93960;MM93960;CON=C(C)C#CCCO;OPBKBFZJXHPGKY-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93961;MM93961;CCOC(OC)C(O)CO;FDPZQAQKPATZCS-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93962;MM93962;CCOC(OC)C(O)CF;OWEZASNWDYZIEW-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93963;MM93963;C#CC(CCNC)=C(C)C;SCTVBLCRTXJJMT-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93964;MM93964;C=C(CO)C(C)NC=NC;WWFHSQVSDLAASF-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93965;MM93965;N#CCCOC=CNC=N;AJUWYWWLDUPGEW-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93966;MM93966;CN(C)NC=N;JKEWJZZQEGNDOE-UHFFFAOYSA-N;87.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93967;MM93967;CNCC(C)(C)N;MGIRLRNQAIYENH-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93968;MM93968;CNC(C)(C)C(C)N;FOTGAGBPDABKNJ-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93969;MM93969;COC(C)C(CO)CC=O;XDGQINZOSISZOY-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93970;MM93970;N#CC=CNC(=N)N;XTHHIESWRSDXBQ-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93971;MM93971;CNC(C)C(C)CF;FYENOILFRHHUJC-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93972;MM93972;C=CN(N)C(C)=NC;FXEOWHAGVPHKDD-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93973;MM93973;C=NNC(=NN)NC(=N)N;VZUDPXSQBKIWGD-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93974;MM93974;COC(CC=O)C(C)CO;HZXQTERXDJITNU-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93975;MM93975;CCC(O)C(CC#N)OC;ARPCFHFYTZAJBS-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93976;MM93976;COC(CC#N)C(O)CF;GDKFQROUVPZEBY-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93977;MM93977;CCN(CC=O)N=COC;QIWOARQRHYHXKB-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93978;MM93978;C=CCNC=NCCCO;FLIJLIHHKOPYTC-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93979;MM93979;C=CC(CN)CNC;FQEDBHQWBFEKSO-UHFFFAOYSA-N;114.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93980;MM93980;C#CC(C=O)C(N)=CC#N;UEMMKNJMNHNNSV-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93981;MM93981;CNCCC=CC=O;IUGBWFQNMLHNNN-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93982;MM93982;CC=CN=C(N)C(=O)C#N;RVHBXOUVGRTEFL-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93983;MM93983;C=COC(CO)C(O)CC;FTBWBMGZVXNJGB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93984;MM93984;N#CC#CCNC=N;ZRQXCAKKGZYRLW-UHFFFAOYSA-N;107.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93985;MM93985;C#CC=NNC=CC=O;BCQPQNFNIIOTIW-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93986;MM93986;C=COC(CO)C(C)OC;USFOBWREIKLDBI-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93987;MM93987;CN(C)CCC(C)(C)N;XJZJEGHBTQCDKG-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93988;MM93988;CNN=COCOC;FOBUTQLSJYTGNA-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93989;MM93989;CC(N)CC(F)C(C)N;VFWUTWMWDPMBLG-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93990;MM93990;CC(N)C=CCCCN;QVFMGRPFEZVSSK-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93991;MM93991;CCN=C(C)N=C(N)C=O;CASXUUWSHCRFBC-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93992;MM93992;CC(N)C(C)C(F)CF;WVAWMUGCVDAAHP-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93993;MM93993;C=C(CCCN)C(C)N;OPUSGDPTWUAULD-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93994;MM93994;CNCCC=C(C)C=O;UQYOJXRHAOPUJG-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93995;MM93995;CNCCC=C(F)C=O;JQUACFYHLNYODP-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93996;MM93996;C#CCC(OC)C(F)CO;UPLMKWDBAOCAFW-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93997;MM93997;CC=CC(CN)CNC;FKIJSCVMWIDFLW-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93998;MM93998;C=CC(=O)N(N)C=NNC;RIBJZLQVKDORJC-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM93999;MM93999;CC(N)C(CF)CCF;DIFMSOLYIFFJMO-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94000;MM94000;C#CC(C=NOC=O)=NN;IWBRQGKKEUVJFH-UHFFFAOYSA-N;139.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94001;MM94001;C=CCC(CF)C(C)N;DSWKATROGSDVIG-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94002;MM94002;CON=C(C=NN)OC=O;CUMCYHKVCILQDK-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94003;MM94003;N#CCC(=CF)C(=N)N;GIADUXZABSSRLT-UHFFFAOYSA-N;127.12;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94004;MM94004;CC(C)C(CF)C(C)N;WLURCTNXUFRFAV-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94005;MM94005;CNN=C(C)C#CC(C)=O;IHNVRDLQWBFPMZ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94006;MM94006;COCC(CO)C(C)C#N;ISXHTZVQUHPMFI-UHFFFAOYSA-N;143.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94007;MM94007;C=CC(C(C)N)C(C)N;ZGNLLWLHOFLSCG-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94008;MM94008;CN(C=N)CC#CCCO;ODAKPUNLPJINPH-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94009;MM94009;N#CCC=NNCC#N;QJGZQEFCAXIZLD-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94010;MM94010;C#CC(CN)CCCN;AKZDMRRASCWBGP-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94011;MM94011;C=C(C)NC(=NC=N)NN;NBGTXXSHXXIQKT-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94012;MM94012;C#CCONC(C=O)=NC;OQHDUUYKYZXFIZ-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94013;MM94013;CNCC(C)(N)CC(C)C;FEAIWIQHFSSVKN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94014;MM94014;C=NOC=NOC(N)=O;ZPVLXBDEKQFCHK-UHFFFAOYSA-N;131.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94015;MM94015;C=CC(O)C(CCF)OC;BSXQGFLXKVMBHW-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94016;MM94016;COCC(OC)C(C)C=O;RKGUYVHOADTYSL-UHFFFAOYSA-N;146.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94017;MM94017;COCC(OC)C(C)C#N;KBFOMGMVKQMPEM-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94018;MM94018;C=CC(O)C(COC)OC;IASVTUDRTZDWQU-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94019;MM94019;COCC(OC)C(O)C#N;CQMGBXFIXKLBAQ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94020;MM94020;CC(N)CC(C)(F)C(C)N;ZLTZBDRFWIRADW-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94021;MM94021;C#CC(=O)CC(C#N)=CN;ORCINIPFRLWARA-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94022;MM94022;CCON=CC#CCO;BFMOFTYJFRONDJ-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94023;MM94023;CCOC(CC)C(O)C=O;KNAPMSNUZVLSAV-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94024;MM94024;CCOC(CO)C(O)C#N;MWFFUSRRAUNQIF-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94025;MM94025;CCOC(CF)C(O)C#N;HYRKBTSDOCYOPB-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94026;MM94026;C=CC(O)C(OC)OCC;RNHXUVRTXOJTCP-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94027;MM94027;CCOC(OC)C(O)C=O;LXIBYIGLJQKVRC-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94028;MM94028;CCOC(OC)C(O)C#N;RMRSNRCYCYZRDM-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94029;MM94029;C=CC=NOC(N)=O;DGOOMBGOCNNJBI-UHFFFAOYSA-N;114.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94030;MM94030;CCC(C)(N)CC(N)CF;KGPVCWWUVRZRIL-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94031;MM94031;CNCC(C)(N)C(C)CF;PRWRHOFLZXRWPP-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94032;MM94032;C#CCCC(C)(N)CNC;FVVDTTCSDLZEMR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94033;MM94033;C=CNC(=NC=N)NN;XTDNNELQHQPFLT-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94034;MM94034;N#CCC(CO)C(O)C#N;FFFTVRZEIOBAKA-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94035;MM94035;N#CCC(CF)C(O)C#N;YRLAMMNLGMBIEM-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94036;MM94036;N#CCC(CO)C(F)C=O;RRCQAVXJGCQDJM-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94037;MM94037;N#CCC(CO)C(F)C#N;FRCQLZQMOBGUAO-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94038;MM94038;N#CC(C=O)NN=CCO;BYOSDRQBMBBSBD-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94039;MM94039;CC(F)CC(N)CCCF;PMWQIYRNQSKPEA-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94040;MM94040;COC(CC#N)C(C)C#N;IBVMBYZFSCHCKL-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94041;MM94041;C=CC(O)C(CC=O)OC;CEYMNNPLYCKAFL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94042;MM94042;COC(CC=O)C(O)C#N;IINQLBFXYMCNKP-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94043;MM94043;COC(CC#N)C(O)C#N;FRVLOBAJHSPDCW-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94044;MM94044;CCNCC(F)CC(C)N;ZCMUOTJQSXGFEH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94045;MM94045;CCC(NC=O)C(F)C=O;JTSWFHWZYVDUCZ-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94046;MM94046;C=C(C#CCN)CC(C)N;RMGLGABCZVWDKA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94047;MM94047;CC(=N)N(CC=O)CCF;QCCWKSXYBLVTLK-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94048;MM94048;CC(C)=CC(N)CCCN;DLEYSCXRIYBDCG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94049;MM94049;C=NN=C(ON=C)N(C)O;NRYBESWYRMXJAS-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94050;MM94050;C=COC(CO)C(C)C#N;FHBIOSDXYIUTJW-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94051;MM94051;C=COC(CC)C(O)C#N;CZFZWOVDBJDVGJ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94052;MM94052;C=COC(CO)C(O)C=C;BUJVKLSDOFLHAY-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94053;MM94053;C=COC(CO)C(O)C#N;QOYUXUFSPALCDJ-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94054;MM94054;CCC(N)(CCF)CNC;PIQAKMGJPARQIH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94055;MM94055;C=CCC(CO)N(C)C=O;USQHESMESOGYIN-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94056;MM94056;CN(C=O)C(CO)CC#N;LETYBPOZDFAZNX-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94057;MM94057;CC(C)=NNC(=N)N(C)C;MOJGRWWGKNGYHP-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94058;MM94058;CCC(CC#N)N(O)C=O;ISRYMNVQYBKQGI-UHFFFAOYSA-N;142.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94059;MM94059;C=CCC(CF)N(O)C=O;BMASYSUIENCTEZ-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94060;MM94060;CCC(C)(CNC)C(C)N;RVWPIMIOHMELNA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94061;MM94061;CC(=CC(C)CN)C(C)N;SCCFVRZXWDPWOT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94062;MM94062;C=C(CNC)CC(C)CN;XCEKZOGPIWFQLG-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94063;MM94063;C=CC(C=O)C(C)CNC;XOBRVTOSZFJLJE-UHFFFAOYSA-N;141.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94064;MM94064;C#CCC(F)=CC(=N)N;REGXLBJQRYQWMN-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94065;MM94065;C#CCC(CO)C(O)C=C;XPOHTTZZTSVJMW-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94066;MM94066;C#CCC(CF)C(O)C=O;LJCZGGQNFYSZBG-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94067;MM94067;C#CCC(CF)C(O)C#N;VKOMZJNQOAPDOK-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94068;MM94068;C#CCC(OC)C(O)C=O;IVKAQSOMQSWILK-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94069;MM94069;C#CCC(OC)C(O)C#N;HVKNBMFUJADBOZ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94070;MM94070;C=CN=C(C)NC(=N)NN;CNFLRZMRENBLOA-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94071;MM94071;CNC(C)C(F)CC(C)N;NULUBJZOJIJECX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94072;MM94072;C#CC(O)C(CF)CCF;MWBVDNDROOFEAL-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94073;MM94073;CN=C(CNC)NC(C)C;VGOUKJRFEAUZIM-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94074;MM94074;C=NOC(=NC=N)NO;YTYBYDWCHJAGNB-UHFFFAOYSA-N;130.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94075;MM94075;CNCC(C=C(C)C)CN;XARVSDAIFMZDTD-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94076;MM94076;C#CC(C)C(CO)COC;MUDKLOAYQLSDQL-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94077;MM94077;C#CC(O)C(CF)COC;GJNGFAIXKRXZIL-UHFFFAOYSA-N;146.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94078;MM94078;CNC(CN)C(C)C(C)C;QVFXLJHXEQFSCJ-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94079;MM94079;CC(C)(O)C=COC=NN;CZHBGPKSVXYQJT-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94080;MM94080;C#CC(O)C(CCF)OC;NIOLSVUGPWMLNC-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94081;MM94081;C=C(CO)C(C#N)=CN;CVJFNXHPPYKLGN-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94082;MM94082;COC=CCN(N)C(C)=N;ZMFCTPIFILWAEI-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94083;MM94083;N#CC=C(N)C(C=O)CO;IQPIKVRUNGBENP-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94084;MM94084;CCNC(C)C(N)C(C)C;RHWXRBHMKVKWIQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94085;MM94085;C=C(C)C(C)C(N)CCF;MNISTWXGVABTFR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94086;MM94086;C#CC(F)C(CO)OCC;KFSCVNCRIXFVFN-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94087;MM94087;C#CC(O)C(OC)OCC;IFFXLOGLSXDRSX-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94088;MM94088;CC=CC(C(C)N)C(C)N;CCGJEDUYBAQGNE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94089;MM94089;C=CCC(CC)(CN)NC;HSKDJOITPBRXGT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94090;MM94090;CON=C(C)C(C=O)C=O;GRCOANHVLKCEJE-UHFFFAOYSA-N;143.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94091;MM94091;NN=COCC(N)=O;BLFKOUHPXPDCEP-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94092;MM94092;C#CC(O)C(CO)CC=C;RTXULDGPCMWPJI-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94093;MM94093;C#CC(F)C(CO)CC=O;HBIVMUMSPBBLAG-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94094;MM94094;C#CC(C#N)NC=NOC;BALORMSQDUQSNA-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94095;MM94095;C#CC(O)C(CC#N)OC;GUAOKJYKBMCYHP-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94096;MM94096;C=CC=CC(N)CCCN;XICPAEUMSPSYFG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94097;MM94097;C#CC(C#N)N(C)CC=O;MXSZVPDHIMZXAZ-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94098;MM94098;C=CC(=C)C(N)CCCN;BGBUUJLXGXBSPK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94099;MM94099;C=NN=C(C)NC(=N)NC;ZUIUDXKHHNZOFG-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94100;MM94100;C=CC(=NNC)N(N)C=O;UTQJEOPXPIFDFT-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94101;MM94101;C=CC(=NN)N(N)C=O;DYQIPYFEFHZBOM-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94102;MM94102;C#CCC(N)=CC(=N)NN;HETOCSPJIVRQBS-UHFFFAOYSA-N;138.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94103;MM94103;C#CC(O)C(OC)OC=C;QVKKLDGGUSPOPJ-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94104;MM94104;C#CC(O)C(OC)OC=O;ONMKWAXYLKUICL-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94105;MM94105;NC=CC(=O)N(N)C=NN;MPRNGBTVYUXVJD-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94106;MM94106;CNC(C)C(C)=CCCN;FZILCQIPXNORAX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94107;MM94107;C=C(C)C(=O)N(N)C=NN;WRCGRZRIHXPRIG-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94108;MM94108;C#CCC(CO)C(O)C#C;KADDEOJKAMPOMB-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94109;MM94109;C#CCNC(=N)C=CN;VNLXNEOSCLZNLC-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94110;MM94110;C=C(CC)C(CN)CNC;QAXUNPPLJFBPME-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94111;MM94111;C#CCC(OC)C(O)C#C;DUMFQOZOQJWHII-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94112;MM94112;CNCC(CN)C(C)=CF;LGKFZYCRUZSRFU-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94113;MM94113;CC(CF)C(C=O)CCO;QVFXQVHDSDXGJK-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94114;MM94114;CC(CF)C(C#N)CCO;XEGHNYKOABYWTL-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94115;MM94115;CCC=CC(CN)CNC;XCYHTQZOXOLORQ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94116;MM94116;CNCC(C=CCF)CN;HMDJOBAWMYAFOW-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94117;MM94117;C=CC(C(C)F)C(N)CC;XOZGXPJRBZETGW-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94118;MM94118;CC=NNCC(=NC)NC;GKFMEIJXGAADGM-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94119;MM94119;C=NOC(=NOC)NOC;APHSPZDVZOXIJY-UHFFFAOYSA-N;147.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94120;MM94120;CNCCC=C(C#N)C=O;UXFLSLWMGPYREK-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94121;MM94121;N#CC(=N)NN(C=N)C=O;BQQUBBIVGRZMSR-UHFFFAOYSA-N;139.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94122;MM94122;C#CC(CN)C(C)CCN;JPRHDKBVCREXCZ-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94123;MM94123;CCC(O)C(C=O)COC;OSKMUDNJYLLSAL-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94124;MM94124;N#CC#CC#CCNC=N;JWAAQAIHRGYLTK-UHFFFAOYSA-N;131.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94125;MM94125;CC(=N)NC=N;CDQOILMLXHBFMY-UHFFFAOYSA-N;85.11;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94126;MM94126;CN=CN1CC1;HWWCHASGVKWDGE-UHFFFAOYSA-N;84.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94127;MM94127;CC(C)(CN)CCN;JJOABXBOTQOWCE-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94128;MM94128;CON=CCC#N;YZQBSYUFGCTIFL-UHFFFAOYSA-N;98.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94129;MM94129;COC(C)CONC(=N)N;LMDVIVKJYVHZSG-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94130;MM94130;COCC(C#N)C(C)OC;BACKBXIJUODNQQ-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94131;MM94131;CCC(C)(N)CNC;BQHGTAJKVJFIGU-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94132;MM94132;C#CC(O)COC=NN;REIJYIIBFZDDBG-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94133;MM94133;C#CC(=N)NC(C)C;ITJXLKNWRNMRLZ-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94134;MM94134;CCOC(C=O)C(C)CO;PMVHXZSVAHFKAZ-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94135;MM94135;CCOC(C#N)C(O)CF;CLJXEMFPOMCHDO-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94136;MM94136;CCOC(C#N)C(F)CO;IVIYTXOSKQJWBT-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94137;MM94137;CCCNCC(C)N;UNZHZQVTLPNYIU-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94138;MM94138;CC(N)C(C)C(C)F;GYSPNWYZNZCQIF-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94139;MM94139;CCCCN(C)NC=O;UGHNTCDPWCVGPE-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94140;MM94140;CCC(C)N(C=O)CCO;MDGGAJLGIMVUNU-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94141;MM94141;C=CC(N)CCCN;GZGSLYYVFORTSB-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94142;MM94142;CCC(CF)C(C)N;TUXDKMCJSDAWEF-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94143;MM94143;CCCCON(C)C(=N)N;FMIDTCBASFOYDE-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94144;MM94144;CCON(C=O)C(C)CO;UGBGXEBPJGSWNQ-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94145;MM94145;CC(CO)C(C#N)CC=O;GWSTXQOWBDVRDY-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94146;MM94146;CC(CO)C(C#N)CC#N;ICGVFKARBQOIDT-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94147;MM94147;C=CC(C=C)C(C)N;IBEKKWBXFUEDCU-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94148;MM94148;C=CCC(C#N)C(O)CO;VZYFZPBHYXUPSW-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94149;MM94149;C=NOC(=NOC)N(C)O;OABXMOKIISGUTK-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94150;MM94150;COC(C)C(C#N)CC#N;TWWLQQKMBBTJKO-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94151;MM94151;COC(=CF)C(=N)N;NVFULISLTXUMBU-UHFFFAOYSA-N;118.11;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94152;MM94152;C=CC(NC=O)C(O)CC;NRILNGUIECOKDH-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94153;MM94153;C=NOC(=NC=NN)NO;ZLYQCNLCXWPVCV-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94154;MM94154;C=CC(N)CC(C)(C)N;ZSYXYLFNEWJROW-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94155;MM94155;CN=C(C=C(N)C#N)NC;DBQHDWKMZGUGCN-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94156;MM94156;CCCC(C)(N)CNC;APRBEMHEODHZMF-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94157;MM94157;C#CC(=NOC)N(C)O;VDLCARXZVVLTEY-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94158;MM94158;N#CCCN(O)C(=N)C=O;BJHPWCGZILVSHU-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94159;MM94159;C=COC(C#N)C(C)CO;HBMDCHHLXPITFD-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94160;MM94160;C=COC(C#N)C(O)CO;UGQYGXDXSVTLHE-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94161;MM94161;C=COC(C#N)C(O)CF;SNJUXFABYSJESJ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94162;MM94162;C#CC(C=NO)CC(C)N;SMMPGJWWKQZBNB-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94163;MM94163;N=C(N)NC(=N)C(=N)N;VLEDEVPMZWJOLX-UHFFFAOYSA-N;128.14;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94164;MM94164;C=CCC(N)CC(C)N;HQTNZNQTOWFJEO-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94165;MM94165;CCON=CNN=CCO;VHLMWAGTBFUQNP-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94166;MM94166;C=CC(F)(F)CNC=N;PPYAXEDZJMSFGZ-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94167;MM94167;C=CC#CC=NOCCO;DXQVOKLOMZMOFX-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94168;MM94168;C=C(C)C#CCNC=N;MNXLJCGPQMUOGJ-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94169;MM94169;NC(CCF)CCCF;QWOLJYUFFHWVCA-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94170;MM94170;C#CC(CCO)OC=NN;BLZIWEKHSRWZBS-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94171;MM94171;CC(C#N)C(C=O)CCO;VMZUZTMOUMKOLW-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94172;MM94172;CC(C=O)C(C#N)CCO;SKNKZNMRNZMUNR-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94173;MM94173;CC(C#N)C(C#N)CCO;YJXCMBOABYLBCT-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94174;MM94174;C=CC(O)C(C#N)CCO;CBUUPKIFAAYJEB-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94175;MM94175;N#CCC=NOCCC=O;ZBNVTHUZXIIPLQ-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94176;MM94176;C#CC(OCC#N)ON=C;QLPYJYDSGPLLMG-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94177;MM94177;C#CC(=O)C(N)=NNCC;WHCVSAJYESYKCY-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94178;MM94178;CCC(F)C(C)C(C)N;FOOFHBZINCZEIS-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94179;MM94179;CNC(C)C(C)C(C)F;NMJPNBMDDSSYAW-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94180;MM94180;COCC(C#N)C(C)C#N;RPMSVMHEQGNMPX-UHFFFAOYSA-N;138.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94181;MM94181;C=CC(COC)C(O)C#N;MPRZTSKCOMJAJX-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94182;MM94182;COCC(C=O)C(O)C#N;KFZBOTSYANXZJK-UHFFFAOYSA-N;143.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94183;MM94183;COCC(C#N)C(O)C#N;WKANXVNZKVHNNW-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94184;MM94184;CCC(=NO)OCC(C)N;ZVCNSRPQMGDKJV-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94185;MM94185;C=C(F)C(C)C(N)CC;YZFNVSLWVAMTCZ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94186;MM94186;CNN=C(C)N(N)C=O;VLZZQMUROTZMRQ-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94187;MM94187;COCCOCOC=NN;CQCYAAHLXDCGCJ-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94188;MM94188;C=CC(OCC)C(O)C=O;SSBZLBSQYVUOTF-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94189;MM94189;C=CC(OCC)C(O)C#N;OVNFBIAVESLDOZ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94190;MM94190;CCOC(C=O)C(O)C#N;CYQFFDPVTHLQSY-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94191;MM94191;CCOC(C#N)C(O)C#N;SWFOSMPFCGICPY-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94192;MM94192;C=CC(N)CCCCN;UNYTVORTBGVXSG-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94193;MM94193;C=CCC(N)C(C)CF;KOECIJWPIJDBLZ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94194;MM94194;C=CC(CF)C(N)CC;AKNFZWJBAHHEKF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94195;MM94195;N=CNCC#CC=NN;XADONMQOSXZZMT-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94196;MM94196;CCOCOCOC=NN;UURBOYOONMONAM-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94197;MM94197;C=C(F)CC(C)(N)CCN;RDVMCNJRKUDECB-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94198;MM94198;C=C(C)C(N)CC(C)(C)N;AKKMHYOQCKUINY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94199;MM94199;C=C(C)CC(N)CC(C)N;KWAXSIPQRMOQNP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94200;MM94200;CC(C=O)C(C#N)CC#N;WTIZTQVKRBGGKN-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94201;MM94201;CC(C#N)C(C#N)CC#N;GNCQDTJSAMVCLR-UHFFFAOYSA-N;133.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94202;MM94202;C=CC(CC#N)C(O)C#N;UGPULQCUTAGTOR-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94203;MM94203;C=CC(O)C(C#N)CC#N;FAVAIMFJEIBILA-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94204;MM94204;C=CCC(C=O)C(O)C=O;VBNNIIPDWYEZPJ-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94205;MM94205;C=CCC(C=O)C(O)C#N;FGQQBBWBLDKXCU-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94206;MM94206;C=CCC(C#N)C(O)C=O;PLEYAQKBEZJOBP-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94207;MM94207;O=CCC(C=O)C(O)C=O;ILMBFXWSSDOPLB-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94208;MM94208;N#CCC(C#N)C(O)C#N;HQHZISLBKREVIV-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94209;MM94209;N#CCC(C=O)C(O)C#N;PDZKFTYMZLFAFD-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15630;MM15630;N#CCC(C#N)C(F)C=O;RYIBTHFQSDDPAW-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94210;MM94210;N#CCC(C#N)C(F)C#N;QQSQEYHQYPXJJV-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94211;MM94211;C=NNC=NC(C#N)=CF;FYLMITDYQVRWSR-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94212;MM94212;C=CC(NC=O)C(O)C#N;OVOUBJUCJIXLNL-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94213;MM94213;C=CC(O)C(C#N)NC=O;QVILSCKMLLRLQC-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94214;MM94214;C=C(F)CC(C#N)=C(N)N;AIJZOMHQZOJTSO-UHFFFAOYSA-N;141.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94215;MM94215;C#CC(C)(O)C(N)=CC#N;WRTALBUYKQWBIP-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94216;MM94216;N#CC(O)C(C#N)NC=O;ITBAOTILYKRVMG-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94217;MM94217;C=C(C)C=NOC(=O)CO;MTUJCUNPZAKEGK-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94218;MM94218;C#CC=NNC(C#N)CO;QZQRAUFWYOXFRM-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94219;MM94219;C=CC(NC=O)C(F)C#N;RAEUDBGYTLYMDY-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94220;MM94220;N#CC(NC=O)C(F)C=O;SXRLEWZAYCKBQQ-UHFFFAOYSA-N;144.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94221;MM94221;CN=CNCC(C#N)C#N;RMIWXBOYQBFYDP-UHFFFAOYSA-N;136.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94222;MM94222;CC(=O)C(C)C(C#N)=CN;QPUMBMBFPAPMJO-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94223;MM94223;C#CCON=CC(C)O;VAFSWYNXYXKOOK-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94224;MM94224;C=CC(C#N)=C(CO)NC;YWLUEXOUDPGRSY-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94225;MM94225;N=C(N)NC(=NN)NC=O;QSRPXWRISLMLGX-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94226;MM94226;C=NNC(C#N)C(O)C#N;RBUCSLVHZHUEPF-UHFFFAOYSA-N;138.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94227;MM94227;N#CCNC=NN=CCO;LYYWWUFOTKZRHQ-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94228;MM94228;CC(C=O)C(C#N)OC=O;QYYUICKTKCFQHM-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94229;MM94229;CC(C#N)C(C#N)OC=O;VYBGAOUHKPHVSA-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94230;MM94230;C=COC(C=O)C(O)C=C;HYAQDLVEXRKXOL-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94231;MM94231;C=COC(C#N)C(O)C=C;HVCQWRNGNWKEPO-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94232;MM94232;C=COC(C#N)C(O)C#N;DTCZDCBDSHXFMA-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94233;MM94233;C=CC(CC(C)(C)N)NC;JZSUUVVYMMCABV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94234;MM94234;C=CC(ON=C)C(O)C#N;FVOUXVGRRPBIJO-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94235;MM94235;CCN=C(NO)C(=O)CC;VJAVVWSXYDEVAR-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94236;MM94236;CNCCCCC(O)C=O;GKYIFPPIOUYCKE-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94237;MM94237;C=NOC(C#N)C(O)C=O;SMVDHSDVLSCXDX-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94238;MM94238;C=NOC(C#N)C(O)C#N;ZNDBTPBPVUXZBJ-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15945;MM15945;C=NOC(C#N)C(F)C=O;CIASLOKBYHRPFO-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94239;MM94239;CCC(N)CC(C)(F)CN;OMDJIFSZRYQUID-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94240;MM94240;C=CC(C)(C=O)NC(C)=N;SDHYWBHNIPMQHW-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94241;MM94241;CNCCCCC(=O)CO;KZRBFHAMGWGIKH-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94242;MM94242;CC(C)=CN(O)C(=N)N;VOXWHLYASLHYDF-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94243;MM94243;CCCCC(C)(N)CNC;NKITZNVPGRNQNL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94244;MM94244;C=C(NC=N)N(O)C=NC;SHNGCZQLNRZDTN-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94245;MM94245;C=CC(=NN=COC)NO;MIQLBNRZMYKWJD-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94246;MM94246;CNCC(C)(N)CCCF;DFKZVKPJMOXURL-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94247;MM94247;C=CC=C(C)NC(=N)CO;RXSOLRJBWPDJCF-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94248;MM94248;CC(C#N)N(C=O)CC=O;BBLOHWZXJLKLIP-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94249;MM94249;CC(C#N)N(C=O)CC#N;VREYQENSKIDQGA-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94250;MM94250;CN=C(CO)NC(C)C;WRXAQXAXPWPWLT-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94251;MM94251;N#CC(F)CC#CC(=N)N;DPSHDUKJDVYUDC-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94252;MM94252;CC(C)(C=CF)NNC=N;BZFRCZOMERBAKY-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94253;MM94253;CC(C#N)N(C=O)NC=O;IVBBYQDBGFFUAH-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94254;MM94254;C=C(C)C(C)(C)NNC=N;IIKDYUWIOPZQSL-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94255;MM94255;CC(C#N)N(C=O)OC=O;HGJNZNITUKIAPN-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94256;MM94256;CN(C=O)N(C=O)CC=O;ZODGMUJXDMBZDV-UHFFFAOYSA-N;144.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94257;MM94257;C#CCC(C=O)C(O)C#N;PYLDLTFNBCPJEU-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94258;MM94258;C#CCC(C#N)C(O)C#N;TYDPLHGHIYQHOU-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94259;MM94259;CC=NN=CNN=CCO;DHZHALZRSBJQSE-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94260;MM94260;C=C(C=NNC)CC(C)N;LUPKPDZSNKBXCH-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94261;MM94261;C=C(OC(=O)C#N)C(=N)N;IUSZIBMOAUBHIW-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94262;MM94262;CN=C(C)NN(C)C(C)C;UPPWVUCTGRZIQU-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94263;MM94263;CCC(N)CC(N)CCF;BFZADFFIZIUKQN-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94264;MM94264;CON=CC(=CF)CO;YACUODZEJRIHAN-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94265;MM94265;CCCC(N)CC(F)CN;QOAMPGTVQODVCA-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94266;MM94266;C#CCN(C=O)C(C)C#N;OQXAUWMUHBVCRA-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94267;MM94267;C=CC(C)CN(O)C(=N)N;AUVPKUWLJPSLFT-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94268;MM94268;CCC(N)C(F)CC(C)N;RUSZZZXZSBLCJP-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94269;MM94269;C#CCN(C=O)N(C)C=O;UZAMPGQTZBQZQZ-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94270;MM94270;C#CC(O)C(C=C)CCO;RZTYEHWUJLBOBE-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94271;MM94271;C#CC(O)C(C#N)CCF;GDOHJNMBNZHYHJ-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94272;MM94272;CNCCC(=CCO)CF;KSDSRZFNHMZVQX-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94273;MM94273;N=CN=CN(C=N)C(N)=O;ZZAHKAJHTGOIAC-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94274;MM94274;C#CC(O)C(C#N)OCC;YXLWOJZFFIVJNO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94275;MM94275;C#CC(O)C(C#N)CC#N;XLHVTDUJHLMDAB-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94276;MM94276;C#CC(F)C(C#N)CC#N;LMYXKZDKKCNFNB-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94277;MM94277;C#CC(C)C(C=O)NC=O;SGXAZUMMPMIVQT-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94278;MM94278;C#CC(C)C(C#N)NC=O;FBRRFXBARCPAEQ-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94279;MM94279;C#CC(F)C(C#N)NC=O;NTJHPZGSSIWAAN-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94280;MM94280;C=CC(CCO)NC=NC;BUNPSVLPTBBHOJ-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94281;MM94281;CC(CN)=C(F)CC(C)N;GEKOTOMZNQHBAN-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94282;MM94282;C#CC(O)C(C=O)OC=C;FXMNANMSYBVXCA-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94283;MM94283;C#CC(O)C(C#N)OC=C;FMDZBNYVKSAIQS-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94284;MM94284;C#CC(O)C(C#N)OC=O;UKBTUYMUDWOJBC-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94285;MM94285;C#CC(C)N(C=O)CC#N;NRJGTBMKKGBTRL-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94286;MM94286;C=CCC(C)CNCCN;OSHXOHWODQVGLU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94287;MM94287;C#CC(C)N(C=O)OC=O;WBAMIHFYHUAAMM-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94288;MM94288;C#CCC(C=O)C(O)C#C;LDTVCDOMGSAASL-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94289;MM94289;CC#CC(=N)NCCCN;POCQTRARTGJHNE-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94290;MM94290;C#CC(CCO)C(O)CC;APVNQEKBEZYAIY-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94291;MM94291;CCNCCC(C)C(N)=O;JQYDNCMVVMCVGE-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94292;MM94292;C=C(CCN)C(N)C(C)C;SOCIXRJBJKGQSU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94293;MM94293;CNCC(CCN)C(F)F;CFIFBEOXUJYJBQ-UHFFFAOYSA-N;152.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94294;MM94294;N#CCC=NOCCO;NHBKXXJSGQFHJL-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94295;MM94295;C#CCC(C(C)N)C(C)N;SDEHTZZFEMJXEY-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94296;MM94296;CCC(C)C(N)C(C)CN;YOMMVPJNBWFGSR-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94297;MM94297;C=C(CCCN)CNCC;ABQFASNIFPITMZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94298;MM94298;CNCCC(F)=CCCN;RMSRCABLTADQEZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94299;MM94299;CC=C(F)C(C)NNC=N;JUOMFMRGUXNSOJ-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94300;MM94300;C#CC(OCC)C(O)CF;WHFNBOVHKVSMGA-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94301;MM94301;C#CC(OCC)C(F)CO;FPVARVSHTLELRY-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94302;MM94302;C=C(C#CCNC=N)CC;FGLKQVSYHJVOJZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94303;MM94303;C=C(C#CCNC=N)CF;UUUWFBUXFBWTNO-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94304;MM94304;C=C(C#CCNC=N)OC;OVIFGIVBWBOIOP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94305;MM94305;C#CC(CC#N)C(O)CF;NBELTLJJWGNYKP-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94306;MM94306;CNN=C(OC)C(C)CO;OFPYQJHACKNHSF-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94307;MM94307;C=C(C#CCNC=N)C=O;GFKQAOBIRGDJEK-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94308;MM94308;N#CC(=O)C#CCNC=N;LORVWUDJTUPYNM-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94309;MM94309;C#CC(NC=O)C(C)CF;BZIQOZVMOAVQSU-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94310;MM94310;C#CC(=C)C#CCNC=N;ZPCONBUWWPRONT-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94311;MM94311;CNN=C(C)C(F)C=O;LEXNYRHUPNFJPN-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94312;MM94312;COC=NNCC=O;KOMNTNYMXYCXBW-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94313;MM94313;CC(C=O)C(C#N)=CN;CZHHOCYNZXIZRN-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94314;MM94314;C#CC(OC=C)C(O)CO;AOUYCGKJQXGXRZ-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94315;MM94315;C#CC(OC=C)C(F)CO;WLGUXIICCPDXOX-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94316;MM94316;CC(C#CCNC=N)=CF;CENASPIDGLMFAO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94317;MM94317;CNCCCC(F)C(C)=O;XCVBOVAUCJDDOL-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94318;MM94318;CC(=O)CNN=C(N)C#N;YXCMNRVPURDRAJ-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94319;MM94319;CNC(C)C(CF)CCF;ZWVFEJZEDQSAHU-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94320;MM94320;CNC(CCF)CCCF;NOOHDQWQYRYZRX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94321;MM94321;C=CC=NN=CNCC#N;QCVTYMAVEFIZIM-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94322;MM94322;C#CC(CCO)C(O)C=C;SMRQUYDZAGEMSY-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94323;MM94323;C#CC(CCF)C(O)C#N;YGFOVTLRYFRWLC-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94324;MM94324;C=CC(N)C(NC)C(C)C;AFHXHKBTOFVXBF-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94325;MM94325;C=CCOC=NNCCF;OAYCJSZATFZFSA-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94326;MM94326;CCC(N=C(N)C=O)=NC;IBFUVRVOAGHPSC-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94327;MM94327;CC(C)(CC=O)N=CN;WCRFUZISAYLXNO-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94328;MM94328;CNC(CCCF)C(C)N;FVCNECRRBGNKIT-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94329;MM94329;C#CC(COC)C(O)C=C;UVHCSEYREJOLRU-UHFFFAOYSA-N;140.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94330;MM94330;C#CC(COC)C(O)C#N;BYSYTALJLFRNOS-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94331;MM94331;CCC(NC)C(N)CCF;DRKWZDZYZDWXPW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94332;MM94332;C=CCC(C)C(CN)NC;RWBCUTUECGKZFF-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94333;MM94333;CNCCCOC=CCN;XIIASBOURJCXFK-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94334;MM94334;CC(C#CC(=N)N)CC=O;LMOIFAUPDHUXKQ-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94335;MM94335;C#CC(OCC)C(O)C#N;WKLVHPIQFAXOOD-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94336;MM94336;CON=CC#CCNC=N;VIRRJXVASZBZNQ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94337;MM94337;N=CNCC#CC#CCN;ILHIMDZDQVKKRE-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94338;MM94338;CC(N)CC(C)N;JGQDLMSXMOGEMC-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94339;MM94339;CC(N)CC=CF;BZTZZQROOKIKQB-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94340;MM94340;CCC(N)CCF;RRYBHTNHQRXEHJ-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94341;MM94341;CCNN=CN(N)C(C)=O;HREKPWGFRALWSM-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94342;MM94342;CC(N)C(C)CF;ZDMIXCCCTFASDO-UHFFFAOYSA-N;105.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94343;MM94343;C#CC(CC#N)C(O)C=C;NTLGZSIUYKFTDH-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94344;MM94344;C#CC(CC#N)C(O)C#N;NAFMNYMIQOEWFX-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94345;MM94345;C#CC(NC=O)C(O)C#N;NZAOMMUMEAIAPH-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94346;MM94346;CNCCCCC=O;ZFBJIBZBFZSJMM-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94347;MM94347;C=CC(C=O)CCCNC;FNNQXPROQCMRBM-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94348;MM94348;C#CC(NC=O)C(F)C#N;PBCWYAFHPLXGIE-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94349;MM94349;CCC(=NNC)N(N)C=O;HDHMFDPXCXJJNK-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94350;MM94350;CC=NOC=NOC=NN;SLQRJNIGJILWJX-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94351;MM94351;C#CC(NN=C)C(O)C#N;HZQFUHGCYKQNKT-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94352;MM94352;C#CC(OC=O)C(C)C=O;UUHRCDHFDZFZAP-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94353;MM94353;C#CC(OC=C)C(O)C#N;IESRHYGXUAQAPU-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94354;MM94354;C=CNC(=NN)N(C)NC;FLDAZQUOBZENKW-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94355;MM94355;C#CC(ON=C)C(O)C#N;FJLHTXXWTBPSQI-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94356;MM94356;CC(F)=CCC(C)N;OCHRKBFPEOPPCK-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94357;MM94357;CC(=CF)CC(C)N;DRUYBHVJJAPUQO-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94358;MM94358;COC=CCC(C)N;PTSUNWJFHCQAPN-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94359;MM94359;N=CNCC#CCF;OCCMNPJVWHTVQP-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94360;MM94360;N=CNNCC(F)(F)F;XNPKGVSEHNEPMT-UHFFFAOYSA-N;141.1;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94361;MM94361;C=NN=C(CO)ON=CC;YSZZYVCPBSURFR-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94362;MM94362;C=C(C)C=NOC(N)=O;ZOFSXESAICZLNE-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94363;MM94363;CNC(=O)C(=NOC)NC;JVDAZDPKTBTELF-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94364;MM94364;C#CC(O)C(C#C)COC;XALHJDRSTCCXJC-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94365;MM94365;CC(F)CON=CCO;KUIHJUXRSLXGLE-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94366;MM94366;C=CCC(C)(N)CNC;VACYAZQNHCENMY-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94367;MM94367;C#CC(O)C(C#C)OCC;ISOLWDOQFIOZLB-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94368;MM94368;C#CC(O)C(C#C)CC=O;GGIJINVEBGTXLT-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94369;MM94369;C#CC(O)C(C#C)CC#N;BNGZMYRXKUHUGK-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94370;MM94370;C#CC(O)C(C#C)NC=O;FVQATJLOQPPOLC-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94371;MM94371;COC(C)ON=CCO;MQKHWNWHHLMSOV-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94372;MM94372;C=CC(=NN=C)N(C)O;XGFVGKFJSPABOL-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94373;MM94373;CC(CC#N)ONC(=N)N;JZZZONKYYKHLDI-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94374;MM94374;CC(F)=C(C)CC(C)N;NZTYESKBRXGBFS-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94375;MM94375;C#CC(O)C(C#C)OC=C;SFZXXCHHXKHOLW-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94376;MM94376;C#CC(O)C(C#C)OC=O;CFEPCHFRBSPLSR-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15265;MM15265;C#CC(F)C(C#C)OC=C;NVFQCNRXKVFVHG-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94377;MM94377;CC(=CC#N)NC(=N)N;UDTASHNUVLQCPA-UHFFFAOYSA-N;124.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94378;MM94378;CCC(N)CC(F)CN;AGYNAQJBDBLAOQ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94379;MM94379;C=C(CF)C(CO)CCO;YJRNHUWUVLZHGP-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94380;MM94380;C=CC(N)CC(C)CN;WFVGIWYYINQJDX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94381;MM94381;CC(F)C#CCNC=N;XVHIXLMBWVLOSX-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94382;MM94382;C=C(CO)C(CF)CCO;DRFSXYSTIAEAHS-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94383;MM94383;C#CCC(=N)NCCF;JQXWCNWCNFEFAL-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94384;MM94384;CC(C)C(N)C(C)CN;RALPRZZHRDYGEU-UHFFFAOYSA-N;130.24;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94385;MM94385;N=CNN=CCC(=N)NN;PETHJKMGTUNGLQ-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94386;MM94386;CCC(COC)C(=O)CO;GJXGIICWBJBESY-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94387;MM94387;C=CN(N)C(=N)C=CN;KFBSRMYSCMSHBM-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94388;MM94388;C=C(OC)C(CO)CCO;XFWYAMZKWMZILL-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94389;MM94389;C=NOCC(C)C(C)N;DHXLONFMNLRQSN-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94390;MM94390;C=C(C)C(N)CCCN;KUOKXLTXESKRBQ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94391;MM94391;C=C(OC)C(CO)COC;MNBGJMIAZODISD-UHFFFAOYSA-N;146.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94392;MM94392;CCC(N)CCOC=O;DHAGFEGJOLBJBL-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94393;MM94393;CNC(C)CCOC=O;CNBYDCZKBBCDCP-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94394;MM94394;N#CC(N)=NNCC(N)=O;KLDKAEJPFXLZKZ-UHFFFAOYSA-N;141.13;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94395;MM94395;C=NOCCC(C)NC;WMUHNEKSMMQYLS-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94396;MM94396;CCC(=O)C(CCO)OC;UMLHVYFTNVBKNT-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94397;MM94397;C=CC(N)C(C)CCN;VFGLUEVKRBNARM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94398;MM94398;C=C(CO)C(COC)OC;YXPHTFFXTKJYKZ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94399;MM94399;CCCC(NC)C(C)N;QQBWEBOGGZOTDA-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94400;MM94400;C=C(OC)C(CCO)OC;IDYFSEYYKGBPBS-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94401;MM94401;COC(=O)C(CCO)OC;NKCHFFVNWIDMEL-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94402;MM94402;C=C(OC)C(COC)OC;RKTJCNOPUWHFAK-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94403;MM94403;C=CC(CCCN)NC;ZMMRBEXKSHQHFN-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94404;MM94404;C=CCNCCCCN;GXXJZVMBNXVLOI-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94405;MM94405;O=CCC=NOCOC=O;IBWBRLBRVXKQPU-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94406;MM94406;C#CC(F)C=NNCCO;WDBMYIXYEYHLNN-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94407;MM94407;CC(N)CC(F)C(C)(C)N;QKNJEGCAGODKAU-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94408;MM94408;C=C(C)CC(C)(N)CNC;JPVZBSBFEVBFRR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94409;MM94409;C=C(CO)C(CO)OCC;VRAFEFBMIZMWLI-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94410;MM94410;CCOC(CC)C(=O)CO;JMTRGRISVFVDLS-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94411;MM94411;C=CC(=CC=NN)NC=N;QYFNPEKTOVWPMB-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94412;MM94412;CCOC(CC)C(=O)NO;UWMYEPURFHRLLZ-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94413;MM94413;CC(F)C(C)(C)NNC=N;HVUYXHVOOMIEBW-UHFFFAOYSA-N;147.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94414;MM94414;C=C(OC)C(CO)OCC;MBNMCJUYUIPYMZ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94415;MM94415;C=NNCC(=C)CC(C)N;KUMZCAIUTOMBFH-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94416;MM94416;C=C(CO)C(OC)OCC;GJQYSEITINMVSW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94417;MM94417;CCCC(C)(CN)NCC;SIBJIJOOQSVZJL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94418;MM94418;CN(C)N(C)C(N)=O;MAKMAFONXJQBCC-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94419;MM94419;CCOC(OC)C(=O)NC;IGZDXWDLLSPVCD-UHFFFAOYSA-N;147.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94420;MM94420;CCOC(OC)C(=O)NN;HNMZLBZBRUOOQP-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94421;MM94421;CCOC(OC)C(=O)OC;ODVJSBKWGJUHPF-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94422;MM94422;CNCC(F)=CCC(C)N;WYVFACIXHHCIHM-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94423;MM94423;C=NNCC#CC(=N)NC;XPSSAALXXPZZBN-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94424;MM94424;CCCN(CC)C(=O)NO;OECLDPPTHDCDLP-UHFFFAOYSA-N;146.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94425;MM94425;CCN(CCO)C(=O)OC;FTAGLBQHTCCTOW-UHFFFAOYSA-N;147.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94426;MM94426;CCC(N)CC(F)CNC;WDKYDORPUKLXST-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94427;MM94427;CC(CC(C)N)=C(F)CN;DEOVCWJUWXDVRC-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94428;MM94428;CCNN=CC(C#N)C#N;CESINXKFYWQHAJ-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94429;MM94429;CN=C(NN(C)C)C(C)C;YPZKLZNDOCKTIL-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94430;MM94430;CCCN(OC)C(=O)NC;CFBCBRVUOSYRJI-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94431;MM94431;CC(C)C(C)(N)C=NO;ZVHDEIPNNNCKJX-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94432;MM94432;CC#CC(=O)C(N)=NNC;IEZNJUFXHQASKE-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94433;MM94433;CCON(CC)C(=O)NC;GNBKACHGYJVLIP-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94434;MM94434;COCOC=CCC(C)N;QRLXNVWKOKDBAH-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94435;MM94435;O=CCC(CF)C(=O)CO;CHKQETZDBIYMJM-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94436;MM94436;CCC(CC#N)C(=O)NO;NZSPFIRIBLMKLE-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94437;MM94437;C=C(OC)C(CO)CC#N;HPMACJQDFKDNBM-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94438;MM94438;C=C(C)CC#CCNC=N;DSAUVHFTOAXIEH-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94439;MM94439;C=CCCNC(C)C(C)N;SFRWESUTGJMLAV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94440;MM94440;C=CC(CF)NN=COC;IEEPKRYBYALDEO-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94441;MM94441;C=C(C)C(N)CCCCN;MLJLPKICRPVHQB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94442;MM94442;C=NOC(=O)CCC(C)=O;IMCLBVWLYUOXFX-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94443;MM94443;C#CC(=NN)C(O)COC;AUSSVYCPWPEKHN-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94444;MM94444;C=C(CO)C(CC=O)OC;YCJBEZCGQLEMSM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94445;MM94445;C=C(CO)C(CC#N)OC;HENQLHXYLBWXML-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94446;MM94446;COC(CC#N)C(=O)CO;XIDVHKOGFGZYST-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02656;MM02656;COC(CC#N)C(=O)CF;ABBVUKIGKIQACF-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94447;MM94447;C#CCC(C)N(N)C(C)=N;IGDREGRSDYUARF-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94448;MM94448;CC(C(=N)N)=C(F)CC#N;RYHTWUISRJGSOJ-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94449;MM94449;CC=NOC(CO)=NOC;OZUKBJNNVIGZPT-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94450;MM94450;COC(CC=O)C(=O)NO;FVVBQSNYSIQCHG-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94451;MM94451;COC(=O)C(CC#N)OC;QAOHJXQBVANLJS-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94452;MM94452;C=C(CC)C(CO)NC=O;VWKGBMJBVKNPRP-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94453;MM94453;C#CC(CO)=NN;QNTYCROJIBSUJH-UHFFFAOYSA-N;98.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94454;MM94454;C=CC(N)CCC(C)CN;ZSRFAAKWEYZXLN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94455;MM94455;NCC(C#CC=NO)CF;JILWBIWXHKYNRO-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94456;MM94456;CCC(CC(F)CN)NC;PNEDAIOGIIXVAI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94457;MM94457;C=COC(CO)C(=C)CO;LTAMEUCNRQPBPN-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94458;MM94458;C#CC(OC=NN)C(C)O;XQEWVYWPOIQLKP-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94459;MM94459;C#CC(CN)CC(C)CN;ZNHBOJCFHCZFIT-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94460;MM94460;CNC(C)C(N)C(C)CN;OEUWQMHAHMIFSC-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94461;MM94461;C#CC(=NOCC)N(C)O;CGZQCKYUSNYRFA-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94462;MM94462;CC=NOC(C#N)C=O;WAFVQMZJZUVIBG-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94463;MM94463;C=CC(N)C(C)CCCN;HPPBPPHPCYDNKA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94464;MM94464;CCCN=C(C=O)NO;WDSMDIYAQOMTLU-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94465;MM94465;C=CC(CO)C(=NN)OC;WVGQOJPXLBYNIG-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94466;MM94466;CN(C)C(N)=CC(N)=O;ILNVPYHYEMNNNE-UHFFFAOYSA-N;129.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94467;MM94467;C=C(CC)C(N)CCCN;DLIMNMNZTRVKLS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94468;MM94468;CC(C=O)NN=C(N)C#N;GISSNPPAZXVQSL-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94469;MM94469;C=C(CCCN)C(C)NC;NXNNQUUDJJXNNB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94470;MM94470;CCN(CC#N)C(=O)CO;UAXICZQJPVKRBA-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94471;MM94471;CCCNCCC(N)CF;MAFUOTBJGLBYCO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94472;MM94472;CCCNCCC(F)CN;KEDANIWJXREBIY-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94473;MM94473;CCN(CC=O)C(=O)NC;PUMQDHHOOGMYBP-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94474;MM94474;CCN(CC#N)C(=O)NC;QYVKLOZPULZPAO-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94475;MM94475;COC(C)C#CCNC=N;RAVSCIZCLHPXMF-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94476;MM94476;CCN(CC#N)C(=O)OC;XPOQBXIXYDAUHQ-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94477;MM94477;C#CC(C)C#CCNC=N;OEQRGYCRPAPSPN-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94478;MM94478;C#CC(=NN)NN=CCF;RHSHRDRMGHFXSR-UHFFFAOYSA-N;142.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94479;MM94479;C#CC(F)C#CCNC=N;QBAVDZOPIJBZAD-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94480;MM94480;COC(C)(C)OC(C)=NN;SDNYAPXOJAERBA-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94481;MM94481;CNN(CC#N)C(=O)NO;OUJNUWZDPXPJIN-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94482;MM94482;CNC(CCCN)COC;BNTABIUHBZTUFS-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94483;MM94483;C=CC(C(C)N)C(N)CC;FXJVQNSYLDCTHN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94484;MM94484;C=CC(C)N(C=N)C(=C)C;SXNBCPIZRRYWSV-UHFFFAOYSA-N;138.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94485;MM94485;CCC(=O)N(CC#N)OC;RYTFYLAIISGESM-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94486;MM94486;C=CCN(OC)C(=O)CO;MPWKRHIIJMFOOF-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94487;MM94487;CON(CC#N)C(=O)CO;JPEQVRJPUDOACA-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02571;MM02571;CON(CC#N)C(=O)CF;BWVKUCREWZXXBW-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94488;MM94488;CCCCC(NC)C(C)N;IDYQSVSZUYCPBX-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94489;MM94489;CN=C(NC)NC=CC#N;LROYBMOALMAQDY-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94490;MM94490;C=NOC(=O)C(C)(C)O;YSITVPLZTULHMS-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94491;MM94491;CNC(=O)N(CC#N)OC;KIBXHMKBILTZNU-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94492;MM94492;CON(CC#N)C(=O)NO;OHQQYWAYTXGEEE-UHFFFAOYSA-N;145.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94493;MM94493;C=CN(C=N)C(=C)COC;DTPUUNKCXABDNU-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94494;MM94494;C=CCNCCCCCN;IGUQESBLOLAVKD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94495;MM94495;C=CCN(OC)C(=O)OC;RGEJMHHJPFNPKW-UHFFFAOYSA-N;145.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94496;MM94496;COC(=O)N(CC#N)OC;LTNHPRKHSCNEBK-UHFFFAOYSA-N;144.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94497;MM94497;C=NOC(=O)NCC;SZCMCBQAAYQOKK-UHFFFAOYSA-N;116.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94498;MM94498;C#CCC(CF)C(=O)CO;RIKXWZZLECILLW-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94499;MM94499;C=CCC(C)N;BPIDLOWRIYHHBQ-UHFFFAOYSA-N;85.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94500;MM94500;C#CCNC=N;VQWVOMWODNJIHN-UHFFFAOYSA-N;82.11;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94501;MM94501;CN(C)N=COCC=O;PNZDYOGXLMOFTH-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94502;MM94502;C#CCC(OC)C(=O)NC;GYNXXMLKJPKIHW-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94503;MM94503;C#CC(=NN)C(CO)OC;CUBIYSDVUJYDMT-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94504;MM94504;CC(=N)NC(C)=N;GXZZJBFGPNHSMR-UHFFFAOYSA-N;99.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94505;MM94505;CNC(C)CCN;JTYYWQRSEPVEHP-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94506;MM94506;CCNCCCN;ODGYWRBCQWKSSH-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94507;MM94507;CCC(N)CC(C)N;HZJYYGGZHQIQKL-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94508;MM94508;C#CCN(OC)C(=O)OC;DYCKSOJMXYRSKV-UHFFFAOYSA-N;143.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94509;MM94509;COCC(C)C(C)N;MVUUBVNVNHJSPP-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94510;MM94510;C=C(C#N)C(CO)CCO;HLOCZLCCHYJZEF-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94511;MM94511;CN(C=N)C=CC#N;KXXLGFVGXZDCKI-UHFFFAOYSA-N;109.13;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94512;MM94512;C=COCON=CC(C)O;SAWUFYQFPXUKLO-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94513;MM94513;C=C(C#N)C(CO)COC;PLKHAKMFWGSUBV-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94514;MM94514;CC(N)CC=C(F)CN;NJFWSGLVFUPRGW-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94515;MM94515;CC(F)C(=NN)N(C)O;RXGONESHFZJDPO-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94516;MM94516;N#CC(C=CF)=C(N)CO;MXVCEKBIIBLPCT-UHFFFAOYSA-N;142.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94517;MM94517;C=C(C#N)C(CCO)OC;ARISNINBDJINRH-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94518;MM94518;COC(CCF)C(=O)C#N;PNHRARYNEFCXFT-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94519;MM94519;C=C(C=O)C(COC)OC;PMVSHVNZPKACIN-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94520;MM94520;C=CC(=O)C(COC)OC;ASTULDCZGGXSID-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94521;MM94521;COCC(OC)C(=O)C#N;DAUOUFZXXHEIJZ-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94522;MM94522;C#CC(C=C)NC(C)=N;GNBVZGDUOVGZCF-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94523;MM94523;CN=CN(C=CF)C(N)=O;SIAWJPUCAKZZDK-UHFFFAOYSA-N;145.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94524;MM94524;CC(CO)=C(C)OC=NN;FPVDVTQLEJLHLT-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94525;MM94525;C=C(C=O)C(CO)OCC;HHGBHHHJTNMBOG-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94526;MM94526;C=CC(=O)C(CO)OCC;INNCPZPJFPUJKD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94527;MM94527;CCOC(CO)C(=O)C#N;KBXOGNRNPSOVHQ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94528;MM94528;CCOC(OC)C(=O)C=O;YIVKLJBBFRHPNP-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94529;MM94529;CCOC(OC)C(=O)C#N;PBLIDJGUKCGTNB-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94530;MM94530;O=CC#CC=NNCCO;PZZRKESMIBIHEL-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94531;MM94531;CCN(CCO)C(=O)C#N;CMXSTXROSSSILS-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94532;MM94532;CCCN(OC)C(=O)C=O;LOOLBMLXYAGYHM-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94533;MM94533;CC(N)C#CCNC=N;JWHIUHCZWLGPKG-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94534;MM94534;CNCCC(N)CCF;YAOAMOUETLXQPY-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94535;MM94535;C=C(C=O)C(CO)CC#N;ICHWADHCUVRVRY-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94536;MM94536;C=CCC(CO)C(=O)C#N;VRXXELCNAFOMBG-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94537;MM94537;CNC(=O)C=C(N)N(C)C;YDMFBJHQBMJAEO-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94538;MM94538;NCCCC=COC=NO;XHKODBJSHQVUNT-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94539;MM94539;CNN=C(C)OCCC=O;BLZVDNUWBXPHFZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94540;MM94540;C=CCC(OC)C(=O)C=O;ALZMJPFFWRVZNK-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94541;MM94541;COC(CC#N)C(=O)C#N;YQVTUOYSAYADTA-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94542;MM94542;C=C(C=NO)CC(C)NC;MKTMAOUFEZDTPB-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94543;MM94543;CCC(NC=O)C(=O)C=O;VBLPROZWUMQETM-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94544;MM94544;C=C(C=NO)CCNCC;JYYFVJPCJIGVNG-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94545;MM94545;COC(C)=NNCCC=O;FQRIPVYUYXHMPS-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94546;MM94546;C=COC(CO)C(=C)C=O;QHPZIUKEEGUAMO-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94547;MM94547;CNN=C(CC#N)COC;WJWBQHZCJKMDMP-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94548;MM94548;C=COC(OC)C(=O)C=O;NGZVAQBYXREPQU-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94549;MM94549;CCN(CC#N)C(=O)C=O;YXUWCPWGZONDDJ-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94550;MM94550;CCN(CC#N)C(=O)C#N;QKIAGMRJTPVGKW-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94551;MM94551;C=NN(C)C(=N)N(C)C;MQTRQXLGSJAKPW-UHFFFAOYSA-N;128.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94552;MM94552;N#CC(=CN)COCC=O;WNPFNCNAGUNSEN-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94553;MM94553;CNC(=N)C#CC(C)(C)N;NWEWZNUJKUDCIR-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94554;MM94554;C=CC(C)(N)CC(C)NC;CCXFWTFAAFQYCE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94555;MM94555;C#CCC(C)(N)CCNC;OFAMXUPRJDAYIG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94556;MM94556;CCNNC(=N)CC(C)F;WUDVYPNTJRVGKG-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94557;MM94557;CCCC(N)(CC)CNC;UWRPLOWPZIDBPT-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94558;MM94558;C=C(CCN)CNC(C)C;ASMFIMOXAVXEPJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94559;MM94559;C#CC(N)C=CCC(C)N;LUMPASNKAKRCLY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94560;MM94560;C=CC(=O)N(CC=O)OC;QCMWURAXZMNSNI-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94561;MM94561;C=CC(=O)N(CC#N)OC;MFRGQFPNGOMDKY-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94562;MM94562;CON(CC=O)C(=O)C#N;VWQNDSPINPHJPN-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94563;MM94563;CON(CC#N)C(=O)C#N;MOWQAMKXXYEVHM-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94564;MM94564;C#CCC(OC)C(=O)C#N;AOELKPQZGVNTCH-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94565;MM94565;C=CC(C)C(N)CC(C)N;DOWPTERCMRQARR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94566;MM94566;C#CC(C)C(C)NC(C)C;WXFYHAFFAJVANF-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94567;MM94567;C=C(CN)C(F)CC(C)N;UNEUEUKJVWHZJH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94568;MM94568;N=C(N)C#CC=CCCN;UFLUVQZSYCCGTP-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94569;MM94569;C=CNC(=N)C(=N)NC=C;NASXMASIKJQREE-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94570;MM94570;C=CNC(=N)C(C)(O)CO;WRABQIMWACYVFC-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94571;MM94571;C#CC(=C)C(CO)CCO;OISXKSOQRZJADE-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94572;MM94572;COCOCC(C)C(C)N;KOYYVVDGPRUPEQ-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94573;MM94573;C#CC(O)CC#CC(=N)N;XNCBICJIEPLOIE-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94574;MM94574;C=NOC(C#CC)=NNC;MCWXVXNLZDZXNK-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94575;MM94575;C#CC=CCN(N)C(C)=N;INKAZENFXWFJMD-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94576;MM94576;CC(F)=C(F)CNNC=N;NRRMMFIOPJHKMI-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94577;MM94577;C#CC(=O)C(CO)OCC;SBPXWDZWCXPRHJ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94578;MM94578;C=NNC(=N)C#N;FNLYZJVKYNBSCN-UHFFFAOYSA-N;96.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94579;MM94579;C#CC(=O)N(CC)CCO;PAAYISUJJCAHAJ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94580;MM94580;C=C(C)C(N)C(C)CCN;ATLLYVWQCKCYBX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94581;MM94581;C=CCC(C(C)N)C(C)N;QDPINIKPAIQHIG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94582;MM94582;C#CC(=O)N(CCF)OC;XIVKXDMIALWTOE-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94583;MM94583;CC(C)C(C(C)N)C(C)N;MCWXNYXCELROHW-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94584;MM94584;CCC(CC(N)CF)NC;HVBGDPISNFAGOU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94585;MM94585;C#CC(=C)C(CO)CC#N;QIAVRLIODJIWIO-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94586;MM94586;C#CC(=O)C(CO)CC#N;QEHNOBBHKZXYIU-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94587;MM94587;NC=CC(=NN)OC=NN;HWZVLTUSDDRZNP-UHFFFAOYSA-N;143.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94588;MM94588;C=NOC(CF)=NN;BZBSRIXKJKZECF-UHFFFAOYSA-N;119.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94589;MM94589;C#CC(=O)C(CC#N)OC;XYUWEUAAVHIQBX-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94590;MM94590;C=NNC(C#N)=C(N)C#N;ZDAQREFXYHXKLT-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94591;MM94591;CON=CCOC(=O)CO;BIAZZHLAJPFBIZ-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94592;MM94592;C=NN(C)C(=N)N(C)CC;LWXBZWKEJGRTNT-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94593;MM94593;C=CC(C)(CO)N(C)C=N;KTVTVKJINYQBMZ-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94594;MM94594;C#CC(=O)C(OC)OC=C;CUAXHESLOPQMPX-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94595;MM94595;C=C(CC)C(C)NNC=N;WZCYLXWKCMEURX-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94596;MM94596;CC=C(C)NC(=N)N(C)O;ABVRNXSFJYKPDT-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94597;MM94597;CC=C(C)C(C)NNC=N;QMJVVHNIACJPQB-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94598;MM94598;C#CC(=O)N(CC)CC=O;SIHKNCWOVUHVEQ-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94599;MM94599;CN=C(NC=N)C(=N)NC;RDSUXECDYIVGSN-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94600;MM94600;CNCCC(CCF)NC;MSBNSLYORLXCLA-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94601;MM94601;N#CC=C(N)C(O)CO;VMYGYCMHLHUAMC-UHFFFAOYSA-N;128.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94602;MM94602;C=CC(CCC)NNC=N;COEKYKIVTZHDMW-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94603;MM94603;C#CC(=O)N(CC=C)OC;ROVRAORSQGCSRX-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94604;MM94604;COC(N)=C(C#N)CO;FOURQFUEGGBHEJ-UHFFFAOYSA-N;128.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94605;MM94605;CCC(C=CF)NNC=N;QIVRZXYPCSXIBL-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94606;MM94606;C=NN=C(C=NN)CO;LBKPGOPKBJCCAX-UHFFFAOYSA-N;128.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94607;MM94607;C=CC(NNC=N)C(C)C;QWGSKYIFHNOAOI-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94608;MM94608;C#CCN(OC)C(=O)C#C;FQPCCFRGIXKJBN-UHFFFAOYSA-N;137.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94609;MM94609;C=C(C)C(CC)NNC=N;UUTQIYVLENIVDR-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94610;MM94610;CC(CF)ON=CCO;AHYVZOXJNAZDNI-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94611;MM94611;C=C(CO)C(C=O)CCF;YNKVKNLVBSOIQB-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94612;MM94612;C#CC(OC)C(C)CNC;QHIDKMKSJXKTOD-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94613;MM94613;C=CC(=NN=CC)N(C)O;KELSHRDKBATULN-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94614;MM94614;C=NNC(=N)C(C#N)C#N;MPSKQTILQOXLEM-UHFFFAOYSA-N;135.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94615;MM94615;C=C(CO)C(C=O)COC;ZMLIOGDLVGQLEC-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94616;MM94616;C=C(CO)C(C#N)COC;WQIZTZSQAHVASO-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94617;MM94617;C=NN=C(C#N)NN=C;WRZDEXPHVWBPDE-UHFFFAOYSA-N;123.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94618;MM94618;CCCC(C=O)C(=O)NC;WTDXWJFEZKGWKZ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94619;MM94619;N#CC=C(N)COCC=O;DKURLUFVHNXHLK-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94620;MM94620;CC=NOC(C=O)=NNC;OYEVCOXGMHJBAI-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94621;MM94621;CNN=C(C=O)C(F)=CN;JIJOXOMPZKIHDU-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94622;MM94622;C#CC(OC)C(C#N)=CN;HHDWLPSUBZHARP-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94623;MM94623;C=CC(COC)C(=O)NC;CRKNOWWWMQJSLW-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94624;MM94624;C=C(OC)C(C=O)CCO;GSVUFOKBRNURSR-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94625;MM94625;CC(C)(C)NNC=N;WCYGJKDWTAJMJN-UHFFFAOYSA-N;115.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94626;MM94626;COCC=NNC=CC#N;KEKFOZVACJVXKA-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94627;MM94627;CC(F)(CCN)CCN;RCAHSGLDRNFXEG-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94628;MM94628;CNCC(C)(N)C(C)C;QVMLDISKOXHYTF-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94629;MM94629;COCC(C#N)C(=O)OC;CJIKKPOBZKQOJG-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94630;MM94630;CCOCOC(C)=NN;UDYXKQBZYZLVNZ-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94631;MM94631;C=CNC(=NN=C)OC;PFCXFKCGRCEPOF-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94632;MM94632;C#CC=NNCC#N;CJAASVKESKICRJ-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94633;MM94633;C=C(CO)C(C=O)OCC;XGHUYSSDJRENGC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94634;MM94634;C=CC(OCC)C(=O)CO;JMWIKFWGCCYWEI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94635;MM94635;CCC(N)(CC)CNC;WCYRVWKRULFQIP-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94636;MM94636;CN=C(C#N)NC=CF;MUUURQLGZPGDPO-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94637;MM94637;CN=CN(C)CC=NN;BOVZWFJOEJITML-UHFFFAOYSA-N;128.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94638;MM94638;CCNN=C(CO)CC#N;IDSYNONINAJVPI-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94639;MM94639;C=NN=CN=C(NO)OC;JJEVAGBYZSPPPQ-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94640;MM94640;CCOC(C#N)C(=O)NC;JZRSDSNQMPXDOQ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94641;MM94641;CC(=NN=CC=O)N(C)O;LBEKAAMBELCNIY-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94642;MM94642;CN(O)C(=N)N;IFNVABRHCROKJC-UHFFFAOYSA-N;89.1;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94643;MM94643;C=CN(CCC)C(=O)NO;NUQJZQPQIOYJAN-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94644;MM94644;CNC(=O)N(C=O)CCO;NDPVXGZTDWLWGE-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94645;MM94645;CC(=CF)C(C)C(C)N;QBWPXDDYCLKUDE-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94646;MM94646;C#CCNNC(C)=NC;BAVBGZPEFDCFNV-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94647;MM94647;CN(C=N)CC#CC#N;LXPJWQCQCXOQTL-UHFFFAOYSA-N;121.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94648;MM94648;C#CC#CCN(C)C=N;BYVQPGHFSZJUPH-UHFFFAOYSA-N;120.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94649;MM94649;CC(C)=CNC(=N)NO;VDQPRKFYIWVQDS-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94650;MM94650;C=CC(N)C(C)CNC;GZTITIYIAVCUJS-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94651;MM94651;CN(C=N)C(=N)NC=N;SQXPXXGGAYMWLE-UHFFFAOYSA-N;127.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94652;MM94652;C=CC(CCF)C(C)N;UJVFLDLMUXELPF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94653;MM94653;CCON(C=O)C(=O)CC;KYNAWOLSEGRQRX-UHFFFAOYSA-N;145.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02515;MM02515;CCON(C=O)C(=O)CF;XTYAHRAWIXRJAU-UHFFFAOYSA-N;149.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94654;MM94654;CC(C#N)=CNN=CCO;CMJVXGMENWBGSR-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94655;MM94655;C=CN(OCC)C(=O)NC;RGHSBDPIAKTXTK-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94656;MM94656;CCON(C=O)C(=O)NC;ALLVZGKHVBEAHH-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94657;MM94657;CCON(C=O)C(=O)OC;MSEPWWPPAIVIAO-UHFFFAOYSA-N;147.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94658;MM94658;C=C(CC)C(C#N)CC=O;MYZSGAIEEOSWRY-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94659;MM94659;C=C(CO)C(C=O)CC=O;BAXUVNHGCPXZGE-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94660;MM94660;C=C(CO)C(C#N)CC#N;IYEBKSSVPODOHC-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15633;MM15633;CCC(=O)C(C#N)CC#N;FFAHHSXIYYWIQU-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94661;MM94661;CCC(C(C)N)C(C)N;ODNXKNHCRPNUEQ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94662;MM94662;CC=NN=C(C=CN)NO;HFDRESSOPKCHNC-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94663;MM94663;CCCC(=O)ON=CNO;JOANAISVDGMFMP-UHFFFAOYSA-N;146.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94664;MM94664;N#CCC(C=O)C(N)=NO;DBFGBIIPMZNZIX-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94665;MM94665;C=C(C)NC(C=O)=NNC;PQKJEJGDAHVBDM-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94666;MM94666;C=CC(CC#N)C(=O)NC;PPGMQDNQENYZBM-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94667;MM94667;C=CCC(C=O)C(=O)NC;VJSYDMJBULWBLB-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94668;MM94668;C=C(OC)C(C#N)CC#N;YBLJRLLWNYOHJC-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94669;MM94669;C=CC(CC=O)C(=O)OC;ABNLWBWMPFTVGX-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2-(cyanomethyl)-3-oxopropanoate";MM02422;COC(=O)C(C=O)CC#N;LPALRKJOMIZTOE-UHFFFAOYSA-N;141.13;-0.11;130025151;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94670;MM94670;COC(=O)C(C#N)CC=O;PIEWDWDHLWUMLS-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Methyl 2,3-dicyanopropanoate";MM02031;COC(=O)C(C#N)CC#N;UIRLWVNHZJRFMW-UHFFFAOYSA-N;138.13;0.21;15477348;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94671;MM94671;C=C(CO)C(C#N)NC=O;UUDFSTWDOJUPBE-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94672;MM94672;C=C(CF)C(C#N)NC=O;DWXDHRZASPADDB-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94673;MM94673;O=CNC(C=O)C(=O)CO;SRJKFOOBILGWFD-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94674;MM94674;C=C(CC(C)N)CN(C)C;USQZWUGJWUHZIM-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94675;MM94675;C=NNC(C#N)=NOC;JGQROKFULGNSQM-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94676;MM94676;C#CCC(C#N)=C(N)N;MCGJLDMMPBBGQF-UHFFFAOYSA-N;121.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94677;MM94677;COCC(OC)OC=NN;VTOASQHQSCMUIF-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94678;MM94678;CNN=CC(F)C#CCO;YOCMARJHKFFRJL-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94679;MM94679;CNC(OC)=C(C#N)CO;CRMUFOORANZTAF-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94680;MM94680;C=C(OC)C(C#N)NC=O;LFXWHWDFWCKJHS-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94681;MM94681;CC#CC(CO)OC=NN;DUYSSXYIABXWJQ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94682;MM94682;CCON=C(CO)CCO;GRKIXYATJHCILC-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94683;MM94683;C=NNC(C#N)C(=O)OC;SJEWVTZOODJKSE-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94684;MM94684;C=COC(C=O)C(=C)CO;UBEHVSAHDIXMAB-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94685;MM94685;C=COC(C#N)C(=C)CO;BKOBVWDNLLAAJC-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94686;MM94686;C=COC(C=C)C(=O)CO;LBWLMMOGGJQYRE-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94687;MM94687;C=COC(C#N)C(=O)CO;PLFRNSXMIMUSKW-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94688;MM94688;CON=CN(O)C=CC#N;KOXYWRCLOFONKM-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15948;MM15948;C=NOC(C#N)C(=O)CC;AQQBLXAGOCUFBX-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94689;MM94689;CN(O)C(CF)=NN;XXPPEJBXULOIKV-UHFFFAOYSA-N;121.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94690;MM94690;CC(F)=CC(C)CC(C)N;IOYDUQNASAEVKT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94691;MM94691;CC(C)(N)C#CCNC=N;XRLMJMKYPNSILO-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94692;MM94692;CCCNC(=CC#N)CO;LRIUFDGYBKRNBG-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94693;MM94693;C=COC(C=O)C(N)=NO;PWZAFCASBJEJHC-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94694;MM94694;C=CC(OC=O)C(=O)NC;UWPCJQOYULVPDM-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94695;MM94695;C=COC(C=C)C(=O)NO;DMQKWPUNNFZJJP-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94696;MM94696;C=C(OC)C(C#N)OC=O;CJZNIZDQVHUAKQ-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94697;MM94697;C=NOC(C=O)C(=O)OC;OHTXHXHZDHAZGW-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94698;MM94698;C=CC(C)C(C)(N)CNC;WXUYTAPQZXTMPY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94699;MM94699;C=COCON=CCO;ZAECKFPNISFKFE-UHFFFAOYSA-N;131.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94700;MM94700;CC=CN=C(C=O)NO;BBQVVWFVRAIASH-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94701;MM94701;C=CCN(C=O)C(=C)CO;QUGYGNQWIXGWHZ-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94702;MM94702;C=C(CO)N(C=O)CC#N;CJYYDXDDMQFFEE-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94703;MM94703;CC(C)C(=O)ON=CNO;BJYJKPYVSBEFSZ-UHFFFAOYSA-N;146.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94704;MM94704;CCNCC(C)(N)CCF;MTBXTXWBZVHUAA-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94705;MM94705;CC=NN(C)C(=O)CCO;WHTCCEMGUSJEGM-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94706;MM94706;CC(C)(CCF)NNC=N;RVHNBDNOJRKUPB-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94707;MM94707;N#CCN(C=O)C(=N)CO;JWWLTFOLVSRCSU-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94708;MM94708;N=C(CF)N(C=O)CC=O;DTJOPUVCMXFOGZ-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94709;MM94709;C=CN(CC=O)C(=O)CC;FMYIVCWLFWXTDI-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94710;MM94710;C=CN(CC#N)C(=O)CC;HDYPATBWYSISFF-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94711;MM94711;C=CCN(C=C)C(=O)CO;MBLGQJBEYVUUMH-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94712;MM94712;N#CCN(C=N)C(=O)CO;HDJNKRSTSPWWJZ-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94713;MM94713;C=CCC(C)(C)NNC=N;XJGAOLCEVCANLA-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94714;MM94714;CN(CC#N)CC(=O)C=O;IWAIHBXQFAFEQH-UHFFFAOYSA-N;140.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94715;MM94715;C#CC=NOC(C)C=O;ORBCUVMFNVLQNS-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94716;MM94716;C#CC(=O)CNN=CCF;AAXVYNVLIJEYCL-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94717;MM94717;CC(N)CN=CNC(C)C;ATHYHINVHBKSST-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94718;MM94718;C=CN(CC#N)C(=O)NC;XCUYSYOVSFVFHF-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94719;MM94719;CCC(=NN)OC(C)OC;WASSLDZSOQWDHT-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94720;MM94720;C=CCN(C=C)C(=O)NO;ZWONRQJECLGZJJ-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94721;MM94721;CNC(=O)N(C=O)CC=O;QUPMPFGOMKISPR-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94722;MM94722;CNC(=O)N(C=O)CC#N;ZRLLEJGDKLADEA-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94723;MM94723;N#CCN(C=O)C(=O)NO;MPIZXFJKWSKWLE-UHFFFAOYSA-N;143.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94724;MM94724;CCC(F)(CCN)CCN;BKAPOUWSTUZYJS-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94725;MM94725;C=C(OC)N(C=O)CC#N;RHTHFJKPZKJMCJ-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94726;MM94726;C=CC(C)(CNC)CNC;RINUSQKLTRQJOP-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94727;MM94727;CC(=N)N(N)CC=C(C)C;VVCJGNGELVUDDG-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94728;MM94728;COC(=O)N(C=O)CC#N;WVWLGXPLJHNIMV-UHFFFAOYSA-N;142.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94729;MM94729;C=C(CC#CC(=N)N)OC;QFBRUXPVDAVXAE-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94730;MM94730;C=CC=CCNC(=N)NO;HSFIICVHPYYPKR-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94731;MM94731;C=C(CN)CC(N)CCF;DOGMHXHUZLDWRH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94732;MM94732;COC(=O)C(C)CC(C)N;UOIXCXXFSRUMPB-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94733;MM94733;CNC(C)C(C)C(C)CO;FSKZBFCPUXFJLS-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94734;MM94734;CN=C(C#N)NCC#N;VTEKPSJWDSFJAC-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94735;MM94735;CCN(N)C(=N)C=C(C)C;HZNIXBHXKZRHOE-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94736;MM94736;CC(N)CC(C=CF)CF;KBFVWQVLNNVSCO-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94737;MM94737;CC=CC(N)C(C)CNC;GMYGKZMPYMFGCA-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94738;MM94738;C#CC(O)C(N)=CC#N;BIIIMRWGJXRTIA-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94739;MM94739;C=CN(OC=O)C(=O)NC;VZTUMHOMQVHKNJ-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94740;MM94740;C#CC(=C)C(=N)NCCO;BFBXQVQIXGEFCG-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94741;MM94741;CNC(C)C(C)CCO;BMPDNUCKKIMLOK-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94742;MM94742;C#CCC(C#N)C(=O)NC;NVCFDDGTDFBJPI-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94743;MM94743;NN=CC(C#CCO)=CF;WLLMAHMJCSTTHC-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94744;MM94744;C=C(C)C(N)C(C)CNC;KPYDDFOCWLOUDN-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94745;MM94745;C=C(COC)C(=N)N(C)N;WAVOXUQYTHJCLQ-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94746;MM94746;CC=NN(C)C(=N)N(C)C;JISINLNKDUTQIB-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94747;MM94747;COC(CC=O)CN=CN;FQXGDILNGGGUPG-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94748;MM94748;C#CCN(C=C)C(=O)NO;MMHVANSAYDKHRE-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94749;MM94749;CCCC(C(C)N)C(C)N;HRCSEMXURRVBKH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94750;MM94750;CC(N)C(CCF)C(C)N;LDOZZNSKOLZWMP-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94751;MM94751;N=CNCC(=O)C=C(F)F;PPXYPOWQGZGFLM-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94752;MM94752;C=CC(CC(C)CN)NC;FJOFHSBPAGLMJE-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94753;MM94753;C=C(OC=NN)C(O)CC;AEQSBHYDBGWFLA-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94754;MM94754;CCN(N)C(=N)CC=CF;PZDOVYIARGFSLW-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94755;MM94755;COC(N)=C(C#N)C(C)O;QFPKFXNKBSRFMZ-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94756;MM94756;N#CC(=CN)CNC(N)=O;RMAMEZSVNJLFSI-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94757;MM94757;C#CCN(N=C)C(=O)NN;JRHUFVLMQIBOGL-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94758;MM94758;C#CCN(N=C)C(=O)NO;NQIPRLXKXOZVSL-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94759;MM94759;CC#CCNNC(C)=NC;AEFLAZGECTUTMH-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94760;MM94760;C=CC(C(C)N)C(C)CF;XZJAGJBDFJBAFU-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94761;MM94761;CC=C(OC)C(=N)NNC;BCBWMWMOUKEYRO-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94762;MM94762;C=CN=CNCCON=C;GSMVTDAOMRMOLZ-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94763;MM94763;CNCCC(C)=CCCO;CQBVABYCVSFMPQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94764;MM94764;CN(N)C=N;MKHPMSDPJHIXBO-UHFFFAOYSA-N;73.1;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94765;MM94765;CON=CNN=CC(C)O;XALHOYKBHNWNTD-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94766;MM94766;C#CCON=CCO;UOGWWYUIERUMFL-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94767;MM94767;COCC(C=O)C(=O)C#N;RIBBLBOWYHJHIC-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02067;MM02067;COCC(C#N)C(=O)C#N;ZQPWSVJFUDUHPY-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na";;;;;;;0.43;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94768;MM94768;C=CCC(N)CC;NENBPVJEHWLNLP-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03520;MM03520;CCNC(C=O)C(=O)C#N;ZNLRNFWGRMOGRZ-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94769;MM94769;CCNC(C#N)C(=O)C#N;NTYGLTZJTHTWIW-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02602;MM02602;CCOC(C#N)C(=O)C#N;BVNPRFWBNFLQDO-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94770;MM94770;C=CC(C)C(C)N;WYSNDRNXTLKCCM-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94771;MM94771;C=CN(CCO)C(=O)C#N;JNKXXWLREOYCAS-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94772;MM94772;C=CCNNC=N;WPBRLLPGFFZOHC-UHFFFAOYSA-N;99.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94773;MM94773;CC(N)CCC(F)F;YVNHIYAIJLYZRJ-UHFFFAOYSA-N;123.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94774;MM94774;C=C(F)CCC(C)N;IMDYEIOYKKUWMC-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94775;MM94775;CN=C(C)NN(C)C;GCGJFTNLFYEMPM-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94776;MM94776;CC(N)CCC=CF;PTALUKUKUFFSGF-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94777;MM94777;CC(N)C(C)C(C)N;DSVIPKXYBRMZSW-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94778;MM94778;CC(N)(CCN)CCF;VVCHCLXMUBMQSZ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94779;MM94779;CC(C)NC(C)C(C)N;MDKOIINGWWZROO-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94780;MM94780;N#CCC(F)=CC(=N)N;WPXHZHGAOPPLBT-UHFFFAOYSA-N;127.12;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94781;MM94781;CCON(C=O)C(=O)C=O;NEQWDRKUAWRVNA-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94782;MM94782;CCON(C=O)C(=O)C#N;XENONBPJIUDKIK-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94783;MM94783;C=C(C=O)C(C#N)CC#N;BSSMKYAXYNGFCC-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15556;MM15556;N#CCC(C#N)C(=O)C#N;GEPQBYVONCWXQS-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94784;MM94784;CNC(=N)C=C(F)CF;MAJALYKITKVXLT-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94785;MM94785;C#CC(C)=NOCCO;LOVBQDUEFXNGMP-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94786;MM94786;N#CC(=CN)CNC=O;LSIKMXMBKSETRC-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94787;MM94787;C=C(C=O)C(C=O)NC=O;YIFBDLZWHMWSED-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94788;MM94788;C=C(C#N)C(C#N)NC=O;MZMDLXSOUHUQCC-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94789;MM94789;C=CC(=O)C(C=O)NC=O;DYQNOXCSBKAMIJ-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94790;MM94790;O=CNC(C=O)C(=O)C=O;YBRRXKQUIBLHFI-UHFFFAOYSA-N;143.1;-1.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94791;MM94791;N#CC(=O)C(C#N)NC=O;NIOUUGMVLCQNJI-UHFFFAOYSA-N;137.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94792;MM94792;C=C(CCCO)CCNC;ULXDPYMBVRRWSZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94793;MM94793;C#CCCN(N=C)C(N)=O;ITSUUDNBWFRHOM-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94794;MM94794;C=NNC(C#N)C(=O)C=O;UQLXYNUDRKZDQT-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94795;MM94795;C=NNC(C=O)C(=O)C#N;ONNTUGUKBWDLCH-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94796;MM94796;C=NNC(C#N)C(=O)C#N;FVWULYDHDXEAQX-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94797;MM94797;C=C(C=O)C(C#N)OC=O;OAJXPDBCYNCCAF-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15776;MM15776;C=CC(=O)C(C#N)OC=O;DUYPSXPTOUWNML-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02537;MM02537;C=COC(C#N)C(=O)C=O;IBROHBFZSMYEAK-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02534;MM02534;C=COC(C#N)C(=O)C#N;XBRBKJNKELBBJL-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02879;MM02879;C=NOC(C#N)C(=O)C#N;XOZWZYLRLMTMMA-UHFFFAOYSA-N;137.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94798;MM94798;COC(=O)CCC(C)N;NHMQROWVIOFGNH-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94799;MM94799;CC(=CF)CCC(C)N;YWLKWBGESZNPFM-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94800;MM94800;C=CCN(C=O)C(=C)C=O;UDICMAFEFXYMTF-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94801;MM94801;C=C(C=O)N(C=O)CC=O;OOFPCYITTPSEPV-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94802;MM94802;C=C(C#N)N(C=O)CC=O;PCSRXNOKTDNGNP-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94803;MM94803;C=C(C=O)N(C=O)CC#N;BZHHQVGUWROQPI-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94804;MM94804;C=C(C#N)N(C=O)CC#N;IWXWCLDMWUHEHM-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94805;MM94805;CCC(F)=CNC(C)=N;HZVQMTDPFQKCIA-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94806;MM94806;CC(N)CCC#CCN;VCSHACTYIIQVIK-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94807;MM94807;C=CCC(N)CCNC;ZTXNSYZDFKWKFK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94808;MM94808;CCC(N)C(C)C(C)F;SGHOMWKLAXQGMB-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94809;MM94809;C#CC(=N)N(C)C(C)C;VWIRPWQVEFTMOY-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94810;MM94810;CC(CF)C(=N)N(C)N;XGMUJLFLHAKDAD-UHFFFAOYSA-N;133.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94811;MM94811;CC(O)C=COC=NN;XLZDZDPCZSJFBV-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94812;MM94812;CC(C)C(C)NCCN;HOTYCBWMYISNJJ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94813;MM94813;C=CCN(C=O)C(=N)C=O;JXPFDCBAZJLACH-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94814;MM94814;N=C(C=O)N(C=O)CC=O;DFSSDUCTJWREJC-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94815;MM94815;N#CCN(C=O)C(=N)C=O;SRVCQPCDSMVLHL-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94816;MM94816;N#CCN(C=O)C(=N)C#N;MBRFBIAIGATAHF-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94817;MM94817;C=CCN(C=C)C(=O)C=O;BOBNAEDZGONGKF-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94818;MM94818;C=CN(CC=O)C(=O)C=O;NBVIBILSRWJNGZ-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94819;MM94819;C=CN(CC=O)C(=O)C#N;NMQYESSOXCHJBQ-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94820;MM94820;C=CN(CC#N)C(=O)C#N;UGOBHZSDBFKWBQ-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94821;MM94821;C=C(CC)CNNC=N;PMHPZXCIEHMMHV-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94822;MM94822;CC=C(C)CNNC=N;WXVAIENKBJTYJC-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94823;MM94823;C=NN=CCC(=N)NN;GLRYMCKNBLAAQW-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94824;MM94824;O=CCN(C=O)C(=O)C=O;OKIWTKQLRVSSFJ-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94825;MM94825;N#CCN(C=O)C(=O)C=O;VYHIWGJTHOCREI-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94826;MM94826;N#CC(=O)N(C=O)CC=O;AOOGYDVCOYFLJA-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94827;MM94827;N#CCN(C=O)C(=O)C#N;BMEKAFIDPUHVKA-UHFFFAOYSA-N;137.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94828;MM94828;C=CC#CCN(C)C=N;WPJCOJKDOJGQNM-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94829;MM94829;C#CC(=C)C(=C)NC=N;OVKWCOUUBXFOFW-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94830;MM94830;C#CCC(CN)CNC;VHGRMUCMDNTHSO-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94831;MM94831;C=CC(C=C)C(N)CC;AZWQDPACTOFPDC-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4";;;;;;;1.77;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94832;MM94832;N#CC=C(N)C#CCCO;NOFNWZBVZCEGGT-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94833;MM94833;C#CC(=N)N(CC)CC;HUEXSJSUXREUTR-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94834;MM94834;C=C(C#N)N(C=O)NC=O;PHLBHYGOTKVXCF-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94835;MM94835;N#CC(=N)N(C=O)NC=O;BADPQONJFSCBPR-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94836;MM94836;C=C(C#N)N(C=O)OC=O;NZJBEOYITZRGEV-UHFFFAOYSA-N;140.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94837;MM94837;N#CC(=N)N(C=O)OC=O;HSWJXXSWNXERCN-UHFFFAOYSA-N;141.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94838;MM94838;N#CC(=O)N(C=N)OC=O;GPCYJALKRRNMJI-UHFFFAOYSA-N;141.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94839;MM94839;C=CC(=O)N(C=O)OC=O;KDBQZGWCZBARIZ-UHFFFAOYSA-N;143.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15575;MM15575;C#CCC(C#N)C(=O)C=O;KMMHQIQGQIHNPC-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94840;MM94840;C#CCN(C=O)C(=C)C=O;JEYASXOUMPGYAV-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94841;MM94841;C#CCN(C=O)C(=C)C#N;YRXTXGQCDJCDDU-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94842;MM94842;CC(N)C=C(F)CC(C)N;BELPKKOFPWZHCT-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94843;MM94843;CC(N)CCC=NN(C)C;VZGPVMNLDSZNTC-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94844;MM94844;C=C(C)CC(N)CCNC;ZKGJFOFMDGHQAS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94845;MM94845;C#CCN(C=O)C(=N)C=O;RZGCAYLHVCFYAV-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94846;MM94846;C#CCN(C=C)C(=O)C=O;DCIJTTWYXFQTSB-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94847;MM94847;C#CCN(C=C)C(=O)C#N;HCJYDBAPQUTMRY-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94848;MM94848;CC(N)CC(F)C=CCN;KBYXOSKJXYWZER-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94849;MM94849;CC(F)(C#N)CNNC=N;FJSJMGQRGBNAGH-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94850;MM94850;C#CCN(C=O)C(=O)C=C;BWMFBTAODPYNCE-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94851;MM94851;C#CCN(C=O)C(=O)C#N;YEUBKJLBWHJTBI-UHFFFAOYSA-N;136.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94852;MM94852;C=C(CCC(C)N)OC=O;GBQHEUVTRHFROH-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94853;MM94853;C=COC(=O)CCC(C)N;YNJRPCDHWSZEEJ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94854;MM94854;C=CC(C)CNCC(C)N;BCHUNEXKWUOBHK-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94855;MM94855;C#CC(=C)C(C#N)CCO;LJYJUUDOKJRTGU-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94856;MM94856;CON=C(C=CF)CC=O;SSXBSORCMCRBAE-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16004;MM16004;C#CC(=O)C(C#N)COC;IXXATUODALXKLF-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94857;MM94857;CC(C=O)C=NOCC#N;SXZADYAFCLKSKL-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94858;MM94858;CNN=CN=C(C=O)NC;KXXLOEXMANJAGX-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15843;MM15843;C#CC(=O)C(C#N)OCC;GJOAAMDKVJBEHI-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94859;MM94859;C#CC(=O)N(C=C)CCF;GBJGHNRDNQCWLL-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94860;MM94860;CNN=C(CF)N(N)C=O;RYHUGZUNGZHQLU-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94861;MM94861;C=CC(N)CCNC(C)C;QJPHWFBJJOQIGI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94862;MM94862;CCC(F)CC(=N)NNC;WCIWPDRMSQREIA-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94863;MM94863;CCC(N)C(C)NC(C)C;BQCGHTZZTDORIH-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94864;MM94864;C=CC(N)C(=C)CC(C)N;NIOKQSPQEGWHLY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94865;MM94865;C#CC(=O)N(C=C)OCC;CJYQMAKHGBCGCG-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94866;MM94866;CC(C)C=CCNNC=N;HGNDXDJQNWJSNI-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16026;MM16026;C#CC(=O)C(C=O)CC#N;SXXFLLRAORGGOC-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15763;MM15763;C#CC(=O)C(C#N)CC#N;BFASPUNIWFSDIJ-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94867;MM94867;CNN=CC(C)(C#N)C#N;VHIXJQRMXNCKSE-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94868;MM94868;C#CC(=C)C(C#N)NC=O;IAHOJYYRVAUHND-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94869;MM94869;COCC=COC=NN;DVMMHPGVSNWOQP-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94870;MM94870;C#CC(=O)C(C=O)NC=O;QILWYVMUELVSDM-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94871;MM94871;C#CC(=O)C(C=O)NN=C;GYNDOZHYODXTJP-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94872;MM94872;C=COCOCOC=NN;MNPSNFGEHMYBMN-UHFFFAOYSA-N;146.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15808;MM15808;C#CC(=O)C(C=O)OC=C;XQWOOBHAYBTYJY-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15803;MM15803;C#CC(=O)C(C#N)OC=C;IWSSDAWZIQEPMU-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16021;MM16021;C#CC(=O)C(C=O)ON=C;RTUCHQLQULJENB-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94873;MM94873;COC=COCOC=NN;JLOKZFOQHDPXBB-UHFFFAOYSA-N;146.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94874;MM94874;COC(C)OC(C)=NN;FHUWMPYFALGUSJ-UHFFFAOYSA-N;132.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94875;MM94875;C=C(C)C=CCNNC=N;CICBXVNCBNHWQL-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94876;MM94876;C#CC(=C)N(C=O)CC#N;BTRVVWRCQZSZDN-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94877;MM94877;N#CC=C(N)CC(=O)C=O;CBYSWKPAIRQAHE-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94878;MM94878;CON=CCC#CC(=N)N;WSTAFQBAKHWODF-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94879;MM94879;C=C(CCN)CNCCC;UQKNGCBQQZDYPU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94880;MM94880;C#CC(=O)N(C=C)CC=O;CLKWFLXFWCKDNR-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94881;MM94881;C#CC(=O)N(C=C)CC#N;RBQXTTPKUXLLLZ-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94882;MM94882;NCC=CCC(N)CCF;MHWFWGVKIKZEHY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94883;MM94883;CCC=C(C)CNNC=N;WVYBMALCYHJEJM-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94884;MM94884;C#CC(=O)N(C=O)CC=C;WRXVOKAAJLWEHL-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94885;MM94885;C#CC(=O)N(C=O)CC=O;YVXOEPHBJOSQNU-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94886;MM94886;C#CC(=O)N(C=O)CC#N;HTJMRWUFHNISIG-UHFFFAOYSA-N;136.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94887;MM94887;C=CC=C(C)CNNC=N;HWAOKPMVPDUSCS-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94888;MM94888;C=C(CNC)N(C)C=NC;JCQULSFGENPYCQ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94889;MM94889;C#CC(=C)N(C=O)OC=O;PRNYDMYQRUMJLJ-UHFFFAOYSA-N;139.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94890;MM94890;CCN=CNC(C)C(C)N;ANOVOROAYRJHQR-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94891;MM94891;C=CCC(N)C(C)C(C)N;IRQSLKAPOIXWQT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94892;MM94892;CNCCC(N)C(C)CF;YHVKHQWRZUGIQY-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94893;MM94893;C#CCN(C=O)C(=O)C#C;LIOZRWHPTMFDLA-UHFFFAOYSA-N;135.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94894;MM94894;C=CC(N)C(=N)NC=CC;BDJHENUWPSRJLR-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94895;MM94895;C=CC(C)NCCCCN;FHXNLOGENUZEFX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94896;MM94896;CCC(C)=CCNNC=N;XVIKDMBNZWRIQS-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94897;MM94897;CC(C)(C=O)NNC=O;XRMKJERQODIJSH-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94898;MM94898;C=CC(C)=CCNNC=N;UQOMFWWZODXUKO-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94899;MM94899;C#CC(COC)C(=C)CO;LLCOAKJWXJLJCA-UHFFFAOYSA-N;140.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94900;MM94900;C=CC(N)C(CC)CNC;TXWKERYOLACWTO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94901;MM94901;C#CC(C)C(CN)CNC;WFRQCGLRCJAUGV-UHFFFAOYSA-N;140.23;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94902;MM94902;C#CC(COC)C(=O)NC;XLWXKRDLTYTWNR-UHFFFAOYSA-N;141.17;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94903;MM94903;CC(N)C(C=CCN)CF;SYGCISVHXHJTMP-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94904;MM94904;C#CC(COC)C(=O)OC;DYSCBRJJUBDQSU-UHFFFAOYSA-N;142.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94905;MM94905;CCC(=CF)CNNC=N;LEPYNYHQPZYFPQ-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94906;MM94906;C=NNC(C#N)C#N;HKRGCSNVRRKOAY-UHFFFAOYSA-N;108.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94907;MM94907;C=CCC=CCNNC=N;IGEWTFBMTQBYMI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94908;MM94908;CC(C)N;JJWLVOIRVHMVIS-UHFFFAOYSA-N;59.11;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94909;MM94909;CCCC(C)N;IGEIPFLJVCPEKU-UHFFFAOYSA-N;87.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94910;MM94910;C#CC(OCC)C(=O)NC;FOPCOKUZIAKZDF-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94911;MM94911;C#CC(OCC)C(=O)NN;WZFZBNVUPOCYSY-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94912;MM94912;C#CC(OCC)C(=O)NO;RHCJBVLWKJWIHE-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94913;MM94913;C#CC(OCC)C(=O)OC;KONNQDACEQIJBA-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94914;MM94914;C=NN=C(ON=C)C(N)=O;FCUJYLVLBVRPSG-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94915;MM94915;C#CC(CC#N)C(=C)CO;CUPMCOPUARDCQG-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94916;MM94916;CC(N)CCCF;AMIIKOXTKNBXBZ-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94917;MM94917;CNCCC(C)=C(C)CO;NHKXBSPVNUJUKS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94918;MM94918;C#CC(CC#N)C(=O)NC;NFFCMDJOSALWMV-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94919;MM94919;CNCCC(C)N;ZOKREBLWJYZZLL-UHFFFAOYSA-N;102.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94920;MM94920;NN=C(C#CCO)C=CF;RZQSGFBDOIRPQE-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94921;MM94921;C#CC(NC=O)C(=O)CC;HEUJXGNVCKLPFT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94922;MM94922;C=C(OC=NN)C(C)(C)O;WVBFAEXVIGRBTA-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94923;MM94923;CC(N)CCC(C)F;TWULSJFKHUWNJT-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94924;MM94924;NN=CC(F)C#CCO;KGUTZVCZLIWEFM-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94925;MM94925;C=C(CO)OCOC=NN;WNELGOZVHXFUFI-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94926;MM94926;CC=NN(C)C(=O)NC;IMUZZJUSRKAONE-UHFFFAOYSA-N;129.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94927;MM94927;CNN=C(CCC=O)OC;RGPYMQQBCVGIIV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94928;MM94928;CCC(N)C(C)CF;DMROJCFGFCRUFD-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94929;MM94929;C#CC(NC=O)C(=C)OC;GLDMWYZXGLKTFN-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94930;MM94930;CC#CCN(C)C=N;WNOAJHAEILAZAT-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94931;MM94931;C#CC(NC=O)C(=O)OC;BGWQHBFLYAJVSX-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94932;MM94932;C=CC(=NOC)OCC=O;ALTHTWQYAZBVJZ-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94933;MM94933;C#CC(OC=C)C(=C)CO;KQQXMWHKPTYTJT-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94934;MM94934;C#CC(OC=O)C(=C)CO;MNHGGKDUAAOHLW-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15738;MM15738;C#CC(OC=O)C(=O)CC;CPYNBMHWZPGBOE-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94935;MM94935;C=C(C)CC#CC(=N)N;KWYOJGFMNXHEHW-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94936;MM94936;CC(N)CC(N)C(C)C;PAZGAZMHPBQWJH-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94937;MM94937;C#CC(OC=C)C(=O)NC;BOGAKLCIWOWKOB-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94938;MM94938;C#CC(OC=C)C(=O)NN;QMCADKQSIBMKQZ-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94939;MM94939;CC(=O)CON=CCC#N;YKFCTAKRCQVHNC-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94940;MM94940;CC=NOC(=NC=O)NC;ZUWKNYCTVXJJJC-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94941;MM94941;C#CC(OC=C)C(=O)OC;JJUSIYUHOHTUQB-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94942;MM94942;CC(N)CCC(F)CF;AWULBMZGHJGDDJ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94943;MM94943;C#CCC(C#C)C(=O)CO;UQSOLGLULCRETQ-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94944;MM94944;CN=C(CN)NC(C)C;GSMZITCJXLMHNF-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94945;MM94945;C#CCC(C#C)C(=O)NO;NUFVDFOJHXHBIG-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94946;MM94946;C#CCOC(CC)=NN;QZNDXPZAMIVVIT-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94947;MM94947;CCN(C)C(N)=CC(C)=O;QYABZPNLAMGUBE-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15891;MM15891;C#CC(COC)C(=O)C#N;YAEIEMYNMUISQN-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94948;MM94948;C#CC=NOCC(O)C#C;HTEFVENWNGUQNZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15848;MM15848;C#CC(OCC)C(=O)C=O;ACBMDXBQKJUHTP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15845;MM15845;C#CC(OCC)C(=O)C#N;BGAONTXGGBWWFF-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15577;MM15577;C#CC(CC#N)C(=O)C=O;NUMSIKJEEFYSFR-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94949;MM94949;C#CC(NC=O)C(=C)C#N;IBRHBLGAGFGJRH-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94950;MM94950;C#CC(O)CNC=CC#N;BGYMEXHVQQRAEU-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15804;MM15804;C#CC(OC=C)C(=O)C#N;GPTHQZUTHGGENS-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15949;MM15949;C#CC(ON=C)C(=O)C=O;PQNXJWWDBBCFCG-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15944;MM15944;C#CC(ON=C)C(=O)C#N;ULCQVYKYRBCEAX-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94951;MM94951;CNC=C(C#N)CC(C)=O;FEUMMLUKDQGJRC-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15893;MM15893;C#CC(=O)C(C#C)COC;GDQAOFAVICWRCC-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94952;MM94952;C#CC(=O)C(C#C)OCC;IXDLUIGOPXEVDB-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94953;MM94953;CNCCC(C)=CC(C)O;VKJRUSJICKYNBN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94954;MM94954;C=CC#CC(CO)=NN;XANJRSWNFWKWPO-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94955;MM94955;C#CC(=O)C(C#C)OC=C;OOIWTZZMZZAISV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15758;MM15758;C#CC(=O)C(C#C)OC=O;IPBMQVGEFPUEFS-UHFFFAOYSA-N;136.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94956;MM94956;CC(C)(C)N(O)C(=N)C=O;LABDMWOFEXOTGY-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94957;MM94957;C=NNCCCC(C)N;CVVQQUAAIOYNDE-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94958;MM94958;C=CCC(C)NNC=N;UFPCNYSWIANIFX-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94959;MM94959;C#CC(C)C(C)C(C)N;YFZMXFMAEFQQKN-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94960;MM94960;CC(C)C(C)NNC=N;NWHWUKLROUXJSX-UHFFFAOYSA-N;129.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94961;MM94961;CN(C=N)CC#CCF;LTMSXBJVNABZMW-UHFFFAOYSA-N;128.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94962;MM94962;C#CCNN=CC(F)C=O;YDGSVGHIWXVODP-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94963;MM94963;C=NNC(CO)=C(F)C#N;NEBRYGDNSJYYQO-UHFFFAOYSA-N;143.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94964;MM94964;CC(CN)C(F)CCN;RXCPQVWZYXHJOR-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94965;MM94965;CC(C)CN=C(C=O)NO;AVAFMBPABSENME-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94966;MM94966;C=CNC=NCC(C)C=O;HQAMOLKRWSXIOY-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94967;MM94967;CCN=C(CN)NCC;MXBZBKUXZGUDHG-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94968;MM94968;CCNC(CN)C(C)C;ZKTJLVBPXGRVEG-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94969;MM94969;C=CC(CN)C(C)NC;UXTSGGGNFIRTSN-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94970;MM94970;CCC(CC)NNC=N;AZWUACJNEJQAQX-UHFFFAOYSA-N;129.21;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94971;MM94971;NC=CC(=O)ON=CNO;UGPCKINYIXBJKX-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94972;MM94972;C=CC(CN)CNCC;CJDSAPZFPNVLFQ-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94973;MM94973;C=CCCNCCCN;IZOMRNWMZVDXCQ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94974;MM94974;CC(=CC(C)(C)N)CCN;DKEUNAPUAWEKSN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94975;MM94975;C=CC(N)CC(C)(C)NC;OIVQUIQOEDXNIX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94976;MM94976;CC(N)(C=CF)CCCN;GMAMKBIQDOUYQO-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94977;MM94977;C#CC(C)NN=C(C)OC;GWSKIBFNXZNNLZ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94978;MM94978;CN=CNC(C)(C)C(C)N;UHDHPZKUJXPDBQ-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94979;MM94979;CCC(C)(F)CNNC=N;YKCMYQDZDBCJIJ-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94980;MM94980;C=C(CCNC)C(C)CO;SSUAXCYCDKXDFV-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94981;MM94981;C=NNC(C)CCC(C)N;HIXHSYXJWOSXAH-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94982;MM94982;C=NN(C)CCCC(C)N;WCCNSADUMPSSFT-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94983;MM94983;C=CC(N)C=CCC(C)N;BXHPIRCHOKIMLR-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94984;MM94984;C#CC=NNC(C#C)=NN;MFOPOJWIBOOXGQ-UHFFFAOYSA-N;134.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94985;MM94985;C=C(CCNC)CC(C)O;NVVJTJIPBOUPRL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94986;MM94986;CNCC(=CF)CC(C)N;UPJSICPLPIUDJU-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94987;MM94987;CC=CC(CO)C(O)C#N;PYPDVDRUWSOPMS-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94988;MM94988;N#CCNC=NN=CC=O;FYOIJXWHBWCIBL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94989;MM94989;CCC(C=NO)C(O)C#N;MIHMKWDGSYYDJE-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94990;MM94990;CCCC(F)CNNC=N;CUUPQVSXQHIAHB-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94991;MM94991;CCNC(=N)C#CCCN;JYMIBIGRYWFGFH-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94992;MM94992;C=NN(C=NN)C=NOC;UICSMINSEPZVCQ-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94993;MM94993;COC(C=CF)C(O)C#N;HBEKOTADRNZFGZ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94994;MM94994;CC=CC(CO)N(C)C=O;HFTIDMDFLKDBLY-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94995;MM94995;C#CCC(N)C(C)CNC;XVPWUACYUKNKHG-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94996;MM94996;C=NNC(=N)C(F)F;XJEUTMDOMOKZHD-UHFFFAOYSA-N;121.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94997;MM94997;C=CC(C)(CCCN)NC;WKJPAWZRFIXZSI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94998;MM94998;C=CC(C)N(C=NO)OC;ZVRXXFXSSROQLE-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM94999;MM94999;CNN=C(C)C(C#N)OC;YWOXBJHUOQGULE-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95000;MM95000;CON(C=NO)C(C)C=O;RTIOIZZUOXOQBB-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95001;MM95001;CON(C=NO)C(C)C#N;JSGRPHVJGMNALZ-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95002;MM95002;CCN=C(C=O)NOC;YIHIVPRQBXFECV-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95003;MM95003;C#CC(O)C(C=CC)CO;SCAIRQQUFYQFFW-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95004;MM95004;C=C(C=O)NC(=N)C#N;LNQOTHNYGBBKED-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95005;MM95005;CCC(N)C#CC(=N)NC;HQAZOIZTGAFPJA-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95006;MM95006;COC(CCC(C)N)OC;JVZHEUHWPOUUTQ-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95007;MM95007;C#CCCC(N)CCNC;RJCXUQCMOKJXPM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95008;MM95008;CNN=CC(C#N)=CC=O;APYSNASCAVIJQR-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95009;MM95009;C=CCCC(C)NNC=N;YMRGHJZWARVWTP-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95010;MM95010;C#CC(F)C(C=NO)OC;GHLNWFSVJHJEAA-UHFFFAOYSA-N;145.13;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95011;MM95011;COCC#CCN(C)C=N;AOOFLVLSUAJSIN-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95012;MM95012;CC=CC(CN)C(C)NC;KTGBDSLYDGAEDW-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95013;MM95013;C#CC(C)C(C#N)=C(N)N;ONYFVFQPNUTGIK-UHFFFAOYSA-N;135.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95014;MM95014;CC=CC(C#N)C(O)CO;XPOFSKZHSFLPHE-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95015;MM95015;N#CC=C(N)NC(=O)C#N;RCVQOWDIGWOGIB-UHFFFAOYSA-N;136.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95016;MM95016;CNC(C)C(C=CF)CN;TUIFMZSCDKXJDG-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95017;MM95017;CC=CC(C#N)C(O)C=O;CPVCFTJYPYGKBO-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95018;MM95018;CC=CC(C=O)C(O)C#N;YBVHTJNEFCIMRW-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95019;MM95019;N#CC(C=CF)C(O)C=O;PTXACZWYHCGGSX-UHFFFAOYSA-N;143.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95020;MM95020;N#CC(O)C(C#N)C=CF;ZVBWZVWJOSETNH-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95021;MM95021;CC(C#N)C(C=O)C=NO;HVAWORGMPWRFAV-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95022;MM95022;C=CC(C=NO)C(O)C#N;MQDLWJXNLQQZOV-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95023;MM95023;C=COCC(CF)NC=N;DOFJWCOSPMJSES-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95024;MM95024;C#CC(C=CC)NNC=O;NIZWCANYTOJARB-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95025;MM95025;C=CNC(=O)N(C)N=CC;OZMSXNIRSFTLAP-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95026;MM95026;C=CC(C=NO)N(C)C=O;UISOHCSJGKAMJI-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95027;MM95027;C=CC(C=NO)N(N)C=O;OJMQHOFISARHND-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95028;MM95028;N#CC(C=NO)N(O)C=N;BXHCIUULBNRGAP-UHFFFAOYSA-N;142.12;-0.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95029;MM95029;C=NN=CN(O)C=NN;SVRXLDKNZYXYMI-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95030;MM95030;COC=CN(O)C=NOC;CROMRAILDAYKKD-UHFFFAOYSA-N;146.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95031;MM95031;C=CCC(CC)NNC=N;NWFNYXAAELELHP-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95032;MM95032;C=CC(C)C(NC)C(C)N;FLAYXUVGBFIRGX-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95033;MM95033;C#CC(O)C(C=O)C=CF;UNVQNHMKCWDMQS-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95034;MM95034;C#CC(O)C(C=C)C=NO;HRIKBDWPHSUMON-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95035;MM95035;CCNCCC(CN)OC;KIVZVMCEEPIISA-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95036;MM95036;C=CC(NC)C(C)CNC;IUNUINANDRXYFH-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95037;MM95037;CN=CNC(N)=C(C)C#N;KCZTUBRUJOWHCQ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95038;MM95038;C=C(CCN)C(CN)CF;AFUFXLMRAYUZQW-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95039;MM95039;CON=CN=C(NO)OC;KQYAHRQLJBXVRD-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95040;MM95040;C#CC(C=CC)C(O)CO;WDHVBBAPRFFXPL-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95041;MM95041;C=NNC(N)=C(C#N)C#N;UJFZODDWFOYLFA-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95042;MM95042;C=C(NC=N)C(OC)OC;JJHKFEAJDMJEHK-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95043;MM95043;C#CC(C=NO)C(C)OC;NEBPESRFGDNFJR-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95044;MM95044;CCNCCCOCCN;OWLFQBVVEHZYIK-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95045;MM95045;NCCCNCCC=CF;WFAFDMAZMPIZKJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95046;MM95046;CCC(C)N;BHRZNVHARXXAHW-UHFFFAOYSA-N;73.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95047;MM95047;CNCC(C)CN;HKAXXLXZPQLQHR-UHFFFAOYSA-N;102.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95048;MM95048;C#CCN=C(NN)N(C)N;FRIQZXLASNXTOW-UHFFFAOYSA-N;141.18;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95049;MM95049;C#CCN(C)C=N;HXNGNSQGPHUPCK-UHFFFAOYSA-N;96.13;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95050;MM95050;CNC(C)C(C)(C)N;BCEIDMOIGXJROC-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95051;MM95051;C=CCC#CC(=N)N;QEUUGVMLATWTOS-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95052;MM95052;C#CCC(C)C(C)N;QMNCGFUHWZTGPU-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95053;MM95053;CCC(N)CCNC;CDYSMCBRQOYVAZ-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95054;MM95054;C=C(CF)CCNC;JMOWRAMWUVCRHJ-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95055;MM95055;N#CCC(C=O)=CNC=N;BPHHYNQCHTYTEB-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95056;MM95056;C=C(CN)NC=NC;XDNFJOAHESGQSQ-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95057;MM95057;CCN(C=CF)C(=O)CO;GRAAFBMPAXKAAB-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95058;MM95058;CN=C(NN)NC=CF;XHQVSRJJYGDTDR-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95059;MM95059;C=NN=C(CCO)NO;FDOOQBJJSXYPMI-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95060;MM95060;CN=C(C(C)=O)N(C)O;VXOSVFQDRPBBEL-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95061;MM95061;C#CCON(CC)C(=N)N;XXQKXBVHQWFWOD-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95062;MM95062;CON=CNN=CCO;DYGKRVFATJVUPC-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95063;MM95063;CNCCC(C)=CF;YEDKNDPQPXURJW-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95064;MM95064;CNN=CN(N)C(=O)NC;WSTLIOCWGVYVLJ-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95065;MM95065;CC=CN(OC)C(=O)CO;FQPFBXWGKMWUQQ-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95066;MM95066;CC(NC=O)C(N)=CC#N;PKNRDCRZOVDFKY-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95067;MM95067;C#CCNC(C)=NC;XKPOBRPAOIYTTF-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95068;MM95068;CNC(=O)N(C)C=NN;YFUBEHQNNXOEAV-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95069;MM95069;CCC(CN)CNC;NVWAYYHSJZGXSI-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95070;MM95070;CNN=C(C)OCC(C)=O;QVQFCEWDVGYWJI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95071;MM95071;C=NOC=NNCC#N;JHEKGTQRZSVZFZ-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95072;MM95072;C=NOC(=NN)ON=CC;DGWLJKHRUVLBDR-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95073;MM95073;C=NOC(=NN)OC;OSDQBPLKUFPTHH-UHFFFAOYSA-N;117.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95074;MM95074;CCC1(NC)CC1C;JLYNHOWDKBQKBE-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95075;MM95075;C=COC(C)=NN;HXHVDXWDGHMRRD-UHFFFAOYSA-N;100.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95076;MM95076;C=CC(C#N)NC(=N)C#N;OKMWKUZGZQIFRV-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95077;MM95077;C=CC(=O)C(C=NO)OC;LHLHHMSHIPFQQB-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95078;MM95078;COC(C=NO)C(=O)C#N;JSAGEDQZKUGDTQ-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95079;MM95079;CCN(C=NO)C(=O)C#N;BCVGKZYGNLQOEK-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95080;MM95080;C=CC(CN)C(C)(C)N;IEXKRXMNGNYAJX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95081;MM95081;C#CC(=CF)NC(=N)N;OVVOOYJZDLOVLE-UHFFFAOYSA-N;127.12;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95082;MM95082;CNCC(C)COC=O;IZCZDQYWMNBRLW-UHFFFAOYSA-N;131.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95083;MM95083;C=NOCC(C)CNC;ZVTHBFZOAVPMKH-UHFFFAOYSA-N;130.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95084;MM95084;C=C(CCNC)COC;DMFCCDHUDPQXNE-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95085;MM95085;C=C(CC#N)NC=NC;APGYBBCSHMWHGJ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95086;MM95086;CC=CN(OC)C(=O)C=O;BHQAKIHOHKAVDG-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95087;MM95087;CON(C=CF)C(=O)C=O;KBGKWYTWZVVKKS-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95088;MM95088;C=C(C=O)N(C=NO)OC;PMNOZVKYCWUHNQ-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95089;MM95089;C=C(C#N)N(C=NO)OC;UNTPEEMSIJXERL-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95090;MM95090;CCC(N)C(C)C(C)N;ZNWGNLMHWNIWPX-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95091;MM95091;CN=CN(OC)C(=O)C#N;PYCDJYFAOHTRKR-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95092;MM95092;C=CNC(=NC(N)=O)OC;DZMDNQBMWNTVOE-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95093;MM95093;C#CC(=C)N(C=NO)CC;UYSPKFWBPQLWAV-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95094;MM95094;COCCC(N)C(C)C;CXXJHGDHEXDWPQ-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95095;MM95095;CON=CN(O)C=NN;NKSILKUWHPAXOJ-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95096;MM95096;CNN=C(CC#N)C(C)O;RVXLLBBMKCHQSL-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95097;MM95097;C=C(CCNC)C(C)F;VLBWQRPJCFAGIY-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95098;MM95098;CCC(=NO)OCCNC;YVJPOLGQGMIFGF-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95099;MM95099;CNCCC(C)=C(C)F;BPCLHBQYGIJHRH-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95100;MM95100;C=C(C#N)N(C=N)C(N)=O;JUHRULWOXWYOHJ-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95101;MM95101;CN=C(C=O)N(C)O;SEMVGZOXGSNTST-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95102;MM95102;C#CC(=C)N(C=NO)OC;DVCDVVUPCNLZSL-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95103;MM95103;CN(C=N)CC#CCN;ZPQLBUZYCONEJT-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95104;MM95104;CNCC(CN)CCF;NPNPROQVHWEDBG-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95105;MM95105;C#CC(=O)N(C=NN)OC;YUSGLYOTVLYCAA-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95106;MM95106;C#CC(=O)N(C=NO)OC;SDKSHUWEOLFIHT-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95107;MM95107;CC=CC(C=O)C(=O)CO;IQAJKGZJGJJXMT-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95108;MM95108;CC=CC(C#N)C(=O)CO;NAWGHTVYPCFKKP-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95109;MM95109;CC=CC(C=O)C(=O)NC;VHXGCNWWILAZLX-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95110;MM95110;CNC(=O)C(C#N)C=CF;GWHXPSMAIDIMOD-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95111;MM95111;C#CC(CCN)C(C)N;MOUVUOWYENEOBP-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95112;MM95112;COC(=O)C(C#N)C=NO;WIANPUYYHBJMEK-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95113;MM95113;C=C(F)C(CN)CCN;HHGKMPJAYYJRSB-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95114;MM95114;N=C(CF)N(C=O)C=CF;GUKULXHFRZIAMV-UHFFFAOYSA-N;148.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95115;MM95115;COCON=CCO;LNPOQFQFWGUAFJ-UHFFFAOYSA-N;119.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95116;MM95116;C=CN(C=CC)C(=O)CO;TYOKPCRVHXAMEU-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95117;MM95117;C=NOC(=O)C(=C)CO;DOIOZVTWKQHPOT-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95118;MM95118;C=CC(N)C(=NC)NC;UVWYCRQDBYZAEV-UHFFFAOYSA-N;127.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95119;MM95119;N#CC(=CN)C(=CF)CO;QYKHCLULYCTOCP-UHFFFAOYSA-N;142.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95120;MM95120;CC=NN(CC)C(N)=O;NDJWUKJTWYMMAY-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95121;MM95121;CC(=CCO)OC=NN;GZPQUTXIUREEQU-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95122;MM95122;CN(C=O)N=CCCCO;IUOKNHMZJIRVNF-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95123;MM95123;C=CN(C=CF)C(=O)NC;ZJZZPEXTSSONQY-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95124;MM95124;C=CC(=NOCC=O)OC;KAQUMXSSCKGQMJ-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95125;MM95125;C#CC(F)C(C#N)=CN;FZIPDWOLFLTGOJ-UHFFFAOYSA-N;124.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95126;MM95126;COC(CC(C)(C)N)=NO;HNSJAEUXNIHKBE-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95127;MM95127;CC(C=O)ON=CCC#N;BDVZMQDEKCSUOL-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95128;MM95128;CCC(=CF)CCNC;SFORTALNHJCLCV-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95129;MM95129;CC=C(CF)CCNC;NXSUBBSTMRGIDJ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95130;MM95130;C=C(C)CC(C)(N)CCN;VTCYJCSDGVCBOI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95131;MM95131;C#CCNN=CN(N)C=O;JQGIZOJCWGZDNI-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95132;MM95132;CC(C)(N)C(C=CF)CN;VGLDVRCRYUOSBX-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95133;MM95133;COC=NNCCF;LKQNSKAKCNGWDF-UHFFFAOYSA-N;120.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95134;MM95134;CNN=COCCF;ZKOOTBNZBZABFU-UHFFFAOYSA-N;120.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95135;MM95135;N=CNC=CC(=O)NC=N;SMDDCCYUGOFEEC-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95136;MM95136;C=NOC(=NN)ON=C;ZYYLAOLPJIJFIO-UHFFFAOYSA-N;130.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95137;MM95137;CCN(O)C(=N)N;JNPNNYRYQFMLEN-UHFFFAOYSA-N;103.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95138;MM95138;C=NN(C=NO)C(=C)OC;QPUPTBHUXLGGFV-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95139;MM95139;CC=C(CO)N=CNC;RKRSPSCOAOASPI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95140;MM95140;CC#CC(=N)N=C(N)C=O;JFZSKTRUCRHPCR-UHFFFAOYSA-N;137.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95141;MM95141;CCCC(C)(N)CNCC;ZMFZLMVUDXQIFT-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95142;MM95142;CC=NN(C=N)C(=O)CF;IHLGTBQZGOZAOW-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95143;MM95143;C=CN(C)C(=NC)NO;UBFRCEDDJFHCQM-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95144;MM95144;CCC=C(C)NC(=N)NO;SCKWWLVPNSYQPT-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95145;MM95145;CNN=CN(N)C=O;JMNGVQJKQQVNBV-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95146;MM95146;CCNN=CN(N)C=O;BNYOAKJUPSTGHK-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95147;MM95147;CC(C)NN=CN(N)C=O;RZDVEBDIPYQXLE-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95148;MM95148;COCOCOC=NN;MDSZIIOYQKWBMF-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95149;MM95149;C=CN(N=CC)C(=O)NO;NPBYZLJGRCRJMV-UHFFFAOYSA-N;143.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95150;MM95150;COCOC(=NN)C(C)C;XYUZPVKRWCAFIN-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95151;MM95151;CC=NN(C=O)C(=O)NC;KLXXVTRPAWIQML-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95152;MM95152;CC(N)(CC=CF)CCN;WXBCGSLHKBUSEX-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95153;MM95153;CC(N)C(F)(F)CNC=N;ZUNYJJVDYFXOGJ-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95154;MM95154;C=C(C#N)C(C#N)C=NO;NLFZMTGVYKJFQL-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95155;MM95155;C=CC(C=NO)C(=O)C=O;MJUCCWKLPRZWMM-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95156;MM95156;C=CC(=O)C(C#N)C=NO;RRNVCKCOVVYFEV-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95157;MM95157;N#CC(=O)C(C#N)C=NO;RMEBFZIOZTWTKI-UHFFFAOYSA-N;137.1;-0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95158;MM95158;CC(C)C(N)CC(F)CN;LNZHJJRPPRMYAV-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95159;MM95159;CC(C)C(=N)NN(C)C=N;CFCWRBAWYIAAST-UHFFFAOYSA-N;142.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95160;MM95160;CC=CN(C=O)C(=N)C=O;DQXIPWWTYHKITJ-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95161;MM95161;C=CN(C=CF)C(=O)C=O;ZALWMYDXLWFOFI-UHFFFAOYSA-N;143.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95162;MM95162;C#CC(=O)OC(=C)C(=N)N;GKNJGIZUMHEPRE-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95163;MM95163;O=CC(=O)N(C=O)C=CF;HSBQSVPOQMBEDO-UHFFFAOYSA-N;145.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95164;MM95164;N#CC(=O)N(C=O)C=CF;XDPYEGREPVELRX-UHFFFAOYSA-N;142.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95165;MM95165;C=CN(C=NO)C(=C)C#N;JBODGGFNBLZHKQ-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95166;MM95166;CC(N)C#CCN(C)C=N;NWBSRYHRVBIBCZ-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95167;MM95167;CNCC(CN)CC(C)C;RBBVUVMGNDBMLZ-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95168;MM95168;C=C(C#N)N(C=N)C=NO;ZAOXKGBCOOVJIQ-UHFFFAOYSA-N;138.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95169;MM95169;CNCC(CN)CC(C)F;CTKCFEXWBXBVFI-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95170;MM95170;C=CC(=C)N(C=O)C=NO;VLUIDMMQGCOQGF-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95171;MM95171;C=C(C)CC(CCN)NC;DIMIKJMNODFRHY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95172;MM95172;CC(F)=C(CN)CC(C)N;YMVWUPUOOPRCMC-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95173;MM95173;C=C(C#N)N(C=O)C=NO;UQHJZOONUSTKHA-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95174;MM95174;C=C(C)CCNCCCN;QLAMSOFPMFVZLD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95175;MM95175;C#CC(C)=NNCC#N;YIOJCALDWWKXOC-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95176;MM95176;C=C(C)CNCCCCN;ARTPJIWSMZDKHC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95177;MM95177;COC=CCC#CC(=N)N;KUDNQIGMUNLQFA-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95178;MM95178;C=CN(C=NO)C(=O)C#N;HPFUYVMVNBMCGU-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95179;MM95179;N=C(N)C#CCC=CC=O;BQJRAQIRWQFFPX-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95180;MM95180;N#CC(=O)N(C=N)C=NO;BQKCRCWJZCMKKR-UHFFFAOYSA-N;140.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95181;MM95181;CN=CN(C=O)C(=O)C#N;GQPOVJZRKFLARW-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95182;MM95182;NCCC=CC(F)CCN;JRONOFDCMRUUJV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95183;MM95183;C=CNC=NC(C)CCN;UVBZRFZQMOUADV-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95184;MM95184;C=CC(CF)C(C)C(C)N;WPFIPXKHNIUJCR-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95185;MM95185;C=NN(C=NO)C(=C)C#N;BAOCCBHLROMJTO-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95186;MM95186;CC(C)C(N)CCOC=O;FCYPECFHLHQXCU-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95187;MM95187;CC(CN)C(F)C(C)CN;BTNMPTRXQXWCJL-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95188;MM95188;C=CC(C)C(N)C(C)CF;LKWJPCHTUKJONH-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95189;MM95189;C=NN(C=NO)C(=N)C#N;UJUXSYQKJYSURG-UHFFFAOYSA-N;139.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95190;MM95190;CNCCC(N)CCCF;JMMMOBPQOMDDNH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95191;MM95191;C=NN(C=NO)C(=O)C#N;VPXCGJOTENLVHZ-UHFFFAOYSA-N;140.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95192;MM95192;C=NNCC(=C)CCNC;INXQWJFPQFMPOG-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95193;MM95193;C=NOCC(=C)CCNC;FSRCTFMZYIUNIZ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95194;MM95194;C=CC(C)C(N)CCNC;SPUYQEBVLQERNP-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95195;MM95195;CNC(C)CCOCCN;SFJFTKIXOUPPIL-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95196;MM95196;CN=C(C)NCC#CCN;FBLUDRCPBFMSDT-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95197;MM95197;CNCC#CCN(C)C=N;YOMQXZIAQCMTTN-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95198;MM95198;CC=C(F)C(CN)CCN;NWWRHUATRLEGDS-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95199;MM95199;CNCC(CN)CCCF;OLFGGFQYUNNQRJ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95200;MM95200;C=CCCC(CN)CNC;SMAZOBLAUNWWJM-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95201;MM95201;C#CCCC(CN)CNC;UICRSTWASNSLOI-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95202;MM95202;CNCCC(=CC#N)CF;JIDPSUMDMMLYQS-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95203;MM95203;C=CC(C(=C)CN)C(C)N;OERMOHHCCDFFEF-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95204;MM95204;C#CC(=O)C(C#N)C=NO;FHQSFVYSHZIIIU-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95205;MM95205;C=C(C)C(CCCN)NC;JSROOQQMALDYAK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95206;MM95206;CNCCC(CF)=C(C)C;XPORFIOODYUNNT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95207;MM95207;C#CC(CC)CNNC=N;HUZSZGVTXANPOK-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95208;MM95208;C#CC(=O)N(C=O)C=CF;NHVOQYQVRTVKNH-UHFFFAOYSA-N;141.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95209;MM95209;C#CC(O)C(N)=C(C)C#N;ONAMIBGADBIKTH-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95210;MM95210;C#CC(=C)N(C=O)C=NO;HGVGGVMSKMLBPQ-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95211;MM95211;C=CCN(C=C)C(=N)NO;RYTHXEWXTVCMBZ-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95212;MM95212;NCCC=CC(CN)CF;RKPAOMPDKBRVFH-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95213;MM95213;C#CC(=O)N(C=O)C=NN;JEDUFNZZDZAGEC-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95214;MM95214;CON=C(C)C(C)(O)CO;XZRVBICVQQRZMA-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95215;MM95215;C=CC(NC)C(C)CCN;ZUWXNUTZPBNHQB-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95216;MM95216;CC(C)=NOC(CO)=NN;QXLCMOZQCNYMIF-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95217;MM95217;C#CC(=N)N(C=NO)N=C;QBRRPQICLZMKAI-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95218;MM95218;CCN(CC)C1(CC)CC1;HPDYJFNAFYHFLY-UHFFFAOYSA-N;141.26;2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4";;;;;;;1.77;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95219;MM95219;CC(=N)NC(=CC#N)CO;VIOQWYVWUUWSAO-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95220;MM95220;C#CC(=O)N(C=NO)N=C;OLRRHMINCVGOBU-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95221;MM95221;CCNNC=N;KEKOEWJAWBROSA-UHFFFAOYSA-N;87.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95222;MM95222;CC(C)(N)CCN;WSDOLNVCEVYCJQ-UHFFFAOYSA-N;102.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95223;MM95223;C=C(C)CCNC;MPVXLKULHPREFL-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95224;MM95224;CCCNNC=N;XDOOWKKPXXLJJJ-UHFFFAOYSA-N;101.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95225;MM95225;CC(C)CNNC=N;PSHRHQKRCWMMDA-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95226;MM95226;CNC(C)CCC(N)=O;IIMKOHUWZMYMAN-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95227;MM95227;CN(C=NN)C(=N)NN;LJSYJRAGFXBCQB-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95228;MM95228;C#CC(C=CC)C(=O)NO;SRRXOTHVPUMUGE-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95229;MM95229;N=C(N)C#CCCF;ZILVPTLCTCPGIE-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95230;MM95230;C#CC(C=NO)C(=O)OC;GJAUNZLOJWRGAN-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95231;MM95231;C#CC(=O)C(C#C)C=NO;GNUQVRMYBSTMDY-UHFFFAOYSA-N;135.12;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95232;MM95232;CCNC(=N)COC=NN;CGXHEVLSOHPANS-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95233;MM95233;CC#CC(CC)C(O)CO;DKDFZWFPNYTLQF-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95234;MM95234;C=NOCCC#CC(=N)N;RBVXINZMROWFRW-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95235;MM95235;C=C(CC)CCNC;MXMFFNPHDQORFS-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95236;MM95236;CON=C(C)C#CC(C)O;TYHYMIYDJPENKV-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95237;MM95237;CC=C(C)CCNC;SXMXEKNHMYELJQ-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95238;MM95238;CN(C=N)NC(=N)NC=N;BGPGGRRCAXIGLL-UHFFFAOYSA-N;142.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95239;MM95239;C=CC(O)C(C#CC)CO;KWHHLTUKGSKTEB-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95240;MM95240;CC#CC(CO)C(O)C#N;CLQIFVFCZASMTL-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95241;MM95241;CC#CC(CO)C(F)C=O;RCTORGDPPGXWQR-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95242;MM95242;CC#CC(=NC)NC(=N)N;LZIPOAAHAAGSGR-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95243;MM95243;CC#CC(OC)C(O)C=O;UMPDHKJRPWOGLG-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95244;MM95244;CC#CC(OC)C(O)C#N;BXGZZNKNDJWUOD-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95245;MM95245;CN=C(C)NC=CC#N;QUBGBDQAPZFGPW-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95246;MM95246;C#CC(N)CC#CC(=N)N;DENARYCQCYTBGZ-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95247;MM95247;COC(C)(C)ONC(=N)N;SMXJCJLDTUNCNT-UHFFFAOYSA-N;147.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95248;MM95248;C=NNC(C=CC)C(=N)N;URJGRHVKMYUTGP-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95249;MM95249;NCC=CC#CC=NO;LVVGDLBDZGEGRN-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95250;MM95250;C=CC(C#CC)C(O)CO;VPDABCICCQTCJJ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95251;MM95251;CC#CC(C#N)C(O)CO;JAGJOPOHTYGEPH-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95252;MM95252;CC#CC(C#N)C(O)C#N;PVRTUXVGQWKNRW-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95253;MM95253;CC#CC(C=O)N(C)C=O;IKALBHDECNQAGB-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95254;MM95254;N#CC(=CN)CO;CQMKZVCIJFQQHN-UHFFFAOYSA-N;98.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95255;MM95255;C#CC(O)C(C#N)C#CC;TXTPDCSUUNLVQP-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95256;MM95256;NN=C(NO)ON=CCF;VZLRCLYUCGTHOH-UHFFFAOYSA-N;150.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95257;MM95257;C#CC(C#CC)C(O)CO;XOLOAOPCCJOQQQ-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95258;MM95258;CNC1(C(C)C)CC1;ZYIQLDQYXBOSAA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95259;MM95259;CON=CC(C#N)CO;FTNGDAKWOIJYSU-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95260;MM95260;CCCCNNC=N;ZCZGYCZSROZDSR-UHFFFAOYSA-N;115.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95261;MM95261;N#CCCNNC=N;GUCZLXXHOUMYCK-UHFFFAOYSA-N;112.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95262;MM95262;CC#CC(OC)C(=O)CO;ZTQKUUCCYISDLV-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95263;MM95263;C=C(CCN)C(C)(C)N;SWOFRVBPLRSKCV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95264;MM95264;C=CCC(C)(N)CCN;ORVIOOKLTBQVOV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95265;MM95265;CC(O)C=NNC=CC#N;LXVLUKLDPLAZKQ-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95266;MM95266;CC#CC(OC)C(=O)NC;GBUHMOLZLGBKLU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95267;MM95267;CC#CC(OC)C(=O)NN;CDIVJJDEDSETKR-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95268;MM95268;CC#CC(OC)C(=O)NO;XJCGKQFOZFKLEX-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95269;MM95269;CC#CC(CO)C(=O)C#N;QGGXFINPTZLLIF-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95270;MM95270;CN(O)C=NOC=NN;PZTUWZQANQEZCZ-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95271;MM95271;C=NOC(=O)CCO;KQEYXLYKXBNLIH-UHFFFAOYSA-N;117.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95272;MM95272;C#CC(=O)C(C#CC)CO;QQSFFALDRFYKNB-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95273;MM95273;CC#CC(C#N)C(=O)CO;KXKHXRDHROVQKV-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95274;MM95274;CNN=CN(C)C(N)=O;SRKBPRXMOSIPGM-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95275;MM95275;C=CC(C#CC)C(=O)NO;BDMXJKRXDLZVBB-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95276;MM95276;CC#CC(C#N)C(=O)NC;RNRLAEXDQWERSH-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95277;MM95277;CC#CC(C#N)C(=O)NO;XZYALXQWYINKLR-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95278;MM95278;C#CC(C#CC)C(=O)CO;UKUIHKLKAFCQPU-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95279;MM95279;C#CC(C#CC)C(=O)NO;OFPMBSYBLBKKTA-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95280;MM95280;CNC(C)(CN)C(C)C;GFDFRALHSASJEN-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95281;MM95281;CC=NN(C)C(=O)COC;OVJBXOGANBGFSU-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95282;MM95282;C#CC(=C)CC(C)NC;FSTFQGRDKDTJEQ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95283;MM95283;C#CC(N)CCC(C)N;QIADQCOYEFCREQ-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95284;MM95284;CNC(=N)NC=NO;DXYLYCGBCYKEPM-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95285;MM95285;CC(N)CC(=CF)CN;BNDOAACTBPSKRX-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95286;MM95286;CN=CNC(C)=CCN;QCFMUSFBMMJAPG-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95287;MM95287;COC(CCO)C(C)=NO;WHWPZZQTXPDJNJ-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95288;MM95288;CC(N)C(C)C(C)CF;YWSWSDAUOPZOQL-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95289;MM95289;C#CC=NN=CNCC#N;MOQHCQHUPBJLKI-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95290;MM95290;CCOC(CO)C(C)=NO;LJJSAIDWVMARGS-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95291;MM95291;C=CC(C)CNNC=N;DYKHFSFEMHFGCU-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95292;MM95292;CN(C)C(=N)C#CCC#N;FYLQIPOTHRKJSV-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95293;MM95293;CC(=O)C(=O)N(C)C=N;DMOAJGSQFPAERD-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95294;MM95294;C=CNC(C=O)=NC=NC;SMIYGNUIXYQOLA-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95295;MM95295;CC(=CC=O)N(C)C=N;WTQDPJRFEXBSNL-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95296;MM95296;C#CC(C)OCOC=NN;XYNFOFWGOBVFAL-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95297;MM95297;COC(CC=O)C(C)=NO;MMXBKWKLSCVHQD-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95298;MM95298;C=NNC(C#N)C(F)C#N;BKKMNAFYJISPGY-UHFFFAOYSA-N;140.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95299;MM95299;C#CC(CCN)CNC;CILMJWGJBGXCBQ-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95300;MM95300;CNCC(CN)C(C)C;BOYHIXHIMMTRAE-UHFFFAOYSA-N;130.24;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95301;MM95301;CCC(CC)(CN)NC;RMPOXZPLKRLQLR-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95302;MM95302;C#CCNC(=N)C(C)(F)F;XBYLXGIJRXSUSB-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95303;MM95303;CCCCCNNC=N;PBEPFNBOJPBRFP-UHFFFAOYSA-N;129.21;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95304;MM95304;C=CCCCNNC=N;AVNMOZAHBGEKPC-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95305;MM95305;CC=CCCNNC=N;NKVARFVQRRVZKK-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95306;MM95306;CC=NN(C)C(=O)C(C)O;SFIWDODRRHRQHQ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95307;MM95307;C#CCN(OC)C(C)=NO;JQXVKNTYXLQJQE-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95308;MM95308;CC(CF)C(C)(N)CCN;JXRLIDNFPRWHBF-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95309;MM95309;C=C(C)CC(=C)CCNC;DORGBQPYGQYGSC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95310;MM95310;C=C(C=CCN)CC(C)N;MVAXTTDKZPYTSP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95311;MM95311;CC=C(C)N(C=O)CCO;SOFXCJNYKKOOJU-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95312;MM95312;C=CC(C)(C)CNNC=N;CKIUDYFMPKLBCL-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95313;MM95313;CCCN(C=O)C(C)=NO;ULWUNOMNYUZMPC-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95314;MM95314;CCC(N)(CCN)CCF;MBBKQYMVWNCZFX-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95315;MM95315;CCON(C=O)C(C)=NO;AYYWSQCFOMKCCW-UHFFFAOYSA-N;146.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95316;MM95316;CC(=NO)C(C#N)CC=O;PTWSZTAYVQEABP-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95317;MM95317;CC(N)CCC(F)C(C)N;YEJKTESWQWXRFL-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95318;MM95318;CC(=CF)C(C#N)NC=O;PJQYJFGZHLYTRZ-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95319;MM95319;CN(C)C=CC(=N)N(C)N;TWUSOMMYEMAEEN-UHFFFAOYSA-N;142.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95320;MM95320;C=CC(NN=C)C(C)=NO;ONOQWWFDMWKQNT-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95321;MM95321;C=NNC(C#N)C(C)=NO;BEDSKBLZNVGDBW-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95322;MM95322;C=COC(C#N)C(C)=NO;OFZGLQUIINXTPF-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95323;MM95323;CC(=CF)N(C=O)CC#N;WLXJKXGODQOSJD-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95324;MM95324;C=CN(CC#N)C(C)=NO;BIXSHMCPAYEEIJ-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95325;MM95325;C=C(NC(C)=N)C(C)=NO;IGXNHBPLXUOUBV-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95326;MM95326;C=CCC(N)CC(=C)CN;GWUAVZZKEQCKQD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95327;MM95327;CNC(=N)C=C(F)CO;AQZGTQCVAUGDFG-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95328;MM95328;C#CCN(C=O)C(C)=NO;QGYPMWOFRWMUHF-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95329;MM95329;CC(N)CC(C)C(N)CF;URBOGRVAGDYXGK-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95330;MM95330;C=C(CN)C(=C)CC(C)N;SMRHYQVUDQFODH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95331;MM95331;C#CC=C(CN)CC(C)N;UJQMVHHYTBWZJQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95332;MM95332;C=NN=C(NO)ON=C;CNJDPBVBCVOEOC-UHFFFAOYSA-N;130.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95333;MM95333;C#CC(OC=C)C(C)=NO;LDOYARCZHBZENC-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95334;MM95334;CC(=NO)C(C=NO)CO;CDJHOTQMQXBJFF-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95335;MM95335;C#CC(NC(=N)N)=C(C)F;ZAQIZEQXBMMCAL-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95336;MM95336;C#CC=NOC(=NN)NO;FWKTUETYAWXLTJ-UHFFFAOYSA-N;142.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95337;MM95337;C=C(C)CCCNNC=N;JOQVWEGCWPMCLI-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95338;MM95338;COC(C=NO)C(C)=NO;SLAYOCFUHURNML-UHFFFAOYSA-N;146.15;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95339;MM95339;CCNCCC(N)CCF;FZPRNGFPVAMPOZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95340;MM95340;CC=NN=C(CCO)NO;QAANICGOXIVSRK-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95341;MM95341;NN(C=O)C=NN=CCO;JZXUAPBQSHNBMA-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95342;MM95342;CCCON=C(N)C(N)=O;OOHGISWNONYIQK-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95343;MM95343;CC=CC(C)CNNC=N;SSLZKFSTBNTYJP-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95344;MM95344;CC=CN(O)C(=N)N;SEORUWYTTMZZDQ-UHFFFAOYSA-N;115.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95345;MM95345;C=CN(C=NO)C(C)=NO;HOAOHPBPUGQWQN-UHFFFAOYSA-N;143.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95346;MM95346;CC(C=CF)CNNC=N;PGVWMVKIGRPRIV-UHFFFAOYSA-N;145.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95347;MM95347;C=CC(C)=NN(C)C(N)=O;MTBNOGSDOBFGIU-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95348;MM95348;C=NN(C=NC)C(C)=NO;ZYOVMGIFAOESCM-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95349;MM95349;C=NN(C=NO)C(C)=NO;KLCZKITVEHSDTK-UHFFFAOYSA-N;144.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95350;MM95350;C=CN(N=CC)C(C)=NO;APRQAPWSIWUWDZ-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95351;MM95351;C#CC(O)C=CCCNC;WOUYGONLXCQSEN-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95352;MM95352;CC=NN(C=N)C(C)=NO;GYBUIVKHGBQPQS-UHFFFAOYSA-N;142.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95353;MM95353;CC(C)C(C)CNNC=N;QUZVMQHPYQUKES-UHFFFAOYSA-N;143.23;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95354;MM95354;CC(F)C(C)CNNC=N;AHSFNZXZDYTOAH-UHFFFAOYSA-N;147.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95355;MM95355;CNCC(C=CF)C(C)N;RFMNMJMMTOPNEF-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95356;MM95356;CCOC(C(=N)N)C(=N)N;LFGXJOKOAILQKR-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95357;MM95357;CCCC(CC)(CN)NC;WISBFPSDPAHORF-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95358;MM95358;CCC(N)CCC(=O)OC;LMJWEIKKAPABPQ-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95359;MM95359;C=CC(C=O)=CN(C)C=N;GPURWVBCFSKLSR-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95360;MM95360;CNC(CF)CCC(C)N;OIIWELSWFKZJTB-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95361;MM95361;NC(CCCF)CCCF;IBQKWNQMBRNRBZ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95362;MM95362;CC(CF)C(CCO)=NO;VHKJJNMFWIQYCF-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95363;MM95363;C#CC(CCO)=NOC;YMSIIGIZANFDEW-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95364;MM95364;C=C(CCCF)CCNC;PGXNKVSSSMZXNY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95365;MM95365;COCC(=NO)C(C)OC;ZNIRNCIOCSYAPL-UHFFFAOYSA-N;147.17;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95366;MM95366;CC(C)CN(O)C(=N)N;JETAMBFEMHSTSS-UHFFFAOYSA-N;131.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95367;MM95367;C=CNC(=N)N(C)O;GVJRMMMQBROGNE-UHFFFAOYSA-N;115.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95368;MM95368;C=C(C=NOCC=O)OC;NJZQYDONBPRLIR-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95369;MM95369;COC(=CC#N)NCC=O;XDUKIGFAAAFHRM-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95370;MM95370;C=C(CC=NN)CCNC;FMVYWYOSALZBGF-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95371;MM95371;CC=C(OCC)C(O)CO;YRVYKWITOHLHNP-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95372;MM95372;CN=CNC(C)CO;DLEXDXJDQIDWHL-UHFFFAOYSA-N;116.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95373;MM95373;CCOC(=NO)C(C)CO;XMLRYKLNYRFZRZ-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95374;MM95374;CON=C(C)CC#N;OGFNISJRGXPNHI-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95375;MM95375;CNCCC(C)=CC=NN;WVWAGVRPZRGXCL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95376;MM95376;COCC(=NO)N(C)OC;DBBGSVGYSRGLEM-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95377;MM95377;C=NNC(C#N)(C#N)C=O;ZVDMHZPEIFCRFP-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95378;MM95378;C=CC(C=O)=NNC;CPOUNEYDOUUEQU-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95379;MM95379;C=C(CCNC)C(F)CN;MZZWVHMNOPUOHG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95380;MM95380;CNCCC(C)=C(C)CF;YELOABQOQNQOBE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0";;;;;;;0.74;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95381;MM95381;CCOCOC(C)=NNC;IMXMTMCWPYXJSI-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95382;MM95382;CCOC(=NO)N(C)OC;VNPPTLZOOFOLCV-UHFFFAOYSA-N;148.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95383;MM95383;COC(=O)COC=NN;HHVZXHZGDVBHBY-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95384;MM95384;CC=C(CC#N)C(O)CO;JWZHEWVSNZEWSQ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95385;MM95385;C#CC(=N)NCCC=NN;DLTHWEVMFIWJCK-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95386;MM95386;COC(C)C(CC=O)=NO;YSTVFKPFQKLICF-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95387;MM95387;COC(C)C(CC#N)=NO;USTOBWFNAJRJAS-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95388;MM95388;CC(CO)C(=CF)NC=O;XBCBTIFGGWIELU-UHFFFAOYSA-N;147.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95389;MM95389;CN=CC=C(C=O)NO;BQJBTEKHYBXRGY-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95390;MM95390;O=CNC(=CF)C(O)CO;SYTYOFYDGZWRAH-UHFFFAOYSA-N;149.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95391;MM95391;CC=C(C)CCNNC=N;LXNUCNGZDDETDO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95392;MM95392;COC(C)C(=CF)NC=O;PZZOYCYHLBQKPN-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95393;MM95393;COC(C)=COC=NN;GCQARGWCHXICNB-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95394;MM95394;C#CCOC(C)=NN;SSJMZUPEYQGSBJ-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95395;MM95395;C=CC(=NN)C(=O)ON=C;LQSWWTUBWFXTOG-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95396;MM95396;C=NNC=C(C#N)C#N;AWKVVCATPVWEJH-UHFFFAOYSA-N;120.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95397;MM95397;CNCCC=CCC(N)=O;VZQFNURSQAXKMR-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95398;MM95398;CNCCC=CC(C)O;ZHHHSUAINKPOQA-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95399;MM95399;CNCCC=CC(C)CO;BMUTXXQWHPKQGC-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95400;MM95400;CNCC(CN)C(C)CF;YOWOJIXSJYQBRZ-UHFFFAOYSA-N;148.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95401;MM95401;C=C(F)C(CN)CCCN;XRKNLNJBKIJTTF-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95402;MM95402;C=CC(=N)NC(=NN)NC;OGGYNSVYXMFXHG-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95403;MM95403;C=CC(C)=NOC(=O)CO;RSLORCRRQBKBIY-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95404;MM95404;C=CCNC(=NN)C(=N)N;APOQWIPLLVPJOZ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95405;MM95405;C=CC(C=CCN)C(C)N;LVZZVMSBHMVZSM-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95406;MM95406;C#CC(=O)C=CN(C)C=N;XBPWNOZIXDRVMD-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95407;MM95407;CNCCC=COC=NN;NTEBLSXCKBZECC-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95408;MM95408;C=CN(O)C(C=O)=NC;BDMJYDAZAPCIAN-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95409;MM95409;C=CC(CN)C(CN)CF;AIFGUWAEJAIWSX-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95410;MM95410;CCNN=C(C)OCC=O;VYTVMFQOWJILMP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95411;MM95411;CCC(CF)CNNC=N;KPEFIMKTZAJGOC-UHFFFAOYSA-N;147.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95412;MM95412;C=NOC(=NOC)NO;ZBYXTTNYXXYPNW-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95413;MM95413;CON=C(NO)OC;YJVJPQGGZZBCGD-UHFFFAOYSA-N;120.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95414;MM95414;C=CCN(O)C(=N)C(C)=O;VCBFUVKJHDDJBF-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95415;MM95415;C=C(CO)C(N)=CC#N;ZEJUMSDKYWNEHG-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95416;MM95416;CCN=C(NN)NC=CF;OTQKUKRNMDBJRC-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95417;MM95417;C=NN=CON=CN(C)O;WZOATWXQTMSRAS-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95418;MM95418;C=NOC(=NO)N(C)CC;YZKMIEQPJFNLCW-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95419;MM95419;C#CCC(=CC)C(O)CO;IIZTUNOJAZKJAB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95420;MM95420;CNN=C(C)OC(C)C=O;MOYZDYZMPGYNOP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95421;MM95421;C#CCC(=NO)C(C)CO;YHPXJHKBHKVFKB-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95422;MM95422;NN(C=O)C=NN=CNO;AENIYNLSENJPOF-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95423;MM95423;C=CC(CC)CNNC=N;CTPNUKSLJUWFLG-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95424;MM95424;C=CC(C=C)CNNC=N;AONWYSMRXYPLSJ-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95425;MM95425;CNN=CON=CCC=O;QEDPOQLQVOSQRL-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95426;MM95426;C#CCC(=NO)N(C)OC;YGVSDSOQVAZRKR-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95427;MM95427;CC=C(CCO)C(O)C=O;MSZNIFPFOBCOBJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95428;MM95428;CC=C(COC)C(O)C#N;WLPGMPISYSVZHC-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95429;MM95429;COCC(=CF)C(O)C#N;OPFLIUONLYWYTE-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95430;MM95430;C=C(NC=N)C(=NC)NN;FALRJWVTNFZZBT-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95431;MM95431;COCC(=NO)C(C)C=O;WCJWMOFNOWLWBH-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95432;MM95432;COCC(=NO)C(C)C#N;WEGPDPQCTOANEZ-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95433;MM95433;C=CC(O)C(COC)=NO;FAZJJYNGNXHCTM-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95434;MM95434;COCC(=NO)C(O)C#N;KPBGVTYKPMXTOS-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95435;MM95435;COC(C)=NNC(C)C=O;MYCSVTHDZMDAMR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95436;MM95436;C#CCNN=C(C)OC;VCTYZNKSJAFDAL-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95437;MM95437;CC=NNC(=N)C#N;VUUDZBVTIXNONU-UHFFFAOYSA-N;110.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95438;MM95438;CNN=C(C=CC#N)OC;ZJQALQKRVAZKBD-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95439;MM95439;CNN=C(NO)C(O)C#N;SOMULDACQOIIJZ-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95440;MM95440;NN=COCCF;WBNHIVMRQXRGFO-UHFFFAOYSA-N;106.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95441;MM95441;CC#CC(=N)NC(=N)N;AMGKPMJOPJBABD-UHFFFAOYSA-N;124.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95442;MM95442;CCC(C)(N)C=NO;IQPHOVMMBJMQLE-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95443;MM95443;CNN=C(NO)C(F)C#N;YFNKJAYKLYXWLX-UHFFFAOYSA-N;146.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95444;MM95444;CCOC=C(C=NO)CN;KONUBKCWVZZJTN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95445;MM95445;CNC(=NOC)C(O)C#N;UZGATGHVAHJMQM-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95446;MM95446;C#CCOC(C)OC=NN;JAWNXOVKSUKZEY-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95447;MM95447;C=COCOC(C)=NN;YRONBKNRAIOJFC-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95448;MM95448;CON=C(NO)C(F)C#N;PWOZKKVCWOIURB-UHFFFAOYSA-N;147.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95449;MM95449;C#CC=C(C#N)C=NNC;GTSZBAPOPZZWBU-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95450;MM95450;CN(C=O)C(=CF)CCO;LWNKMFVKOPIMDY-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95451;MM95451;C=CCCCCNNC=N;AEZNAOQBVGTZFM-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95452;MM95452;CC#CCCCNNC=N;KGRZQUIHUDUXJP-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95453;MM95453;CCC#CCCNNC=N;KSGVNFIPGBFHNC-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95454;MM95454;C#CC#CCCNNC=N;XDETYOVOEVGJPO-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95455;MM95455;CCN=CNC=CCNC;YXCUGLZQBMIJCI-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95456;MM95456;C#CC=NNCC(F)F;UWXZKHZYIJWSGR-UHFFFAOYSA-N;132.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95457;MM95457;N=CNCC#CC=CCN;RWLUGCJJGGBNHP-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95458;MM95458;CC(N)C1CC1;IXCXVGWKYIDNOS-UHFFFAOYSA-N;85.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95459;MM95459;C=CNC(=O)ON=C;DPOMBSIIPLYMSB-UHFFFAOYSA-N;114.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95460;MM95460;CC(O)(C=O)C(N)=CC#N;UNQIHEGZRWXUME-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95461;MM95461;CN=C(C)N(C)N;ZSJFBUKVERVOPD-UHFFFAOYSA-N;101.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95462;MM95462;CC1C(C)N1C=N;BNESXCYIUHEBFC-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95463;MM95463;C=CC(C=NO)C(=C)CN;CJORWTHZFUZWIB-UHFFFAOYSA-N;140.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95464;MM95464;C=C(CN)CC(C)N;PFDZFOINGLLQTK-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95465;MM95465;CON=CC#CC(O)CO;MOWCCCSANBRCCR-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95466;MM95466;C=CN(N)C(COC)=NO;KHNSQYAJOWZTDQ-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95467;MM95467;C#CC(F)(C=NNC)CO;WCSNTELTRKLPBI-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95468;MM95468;CNCCC=C(F)F;KAMNEBNMUQSVKQ-UHFFFAOYSA-N;121.13;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95469;MM95469;C#CCC#CC(CO)=NN;PNKLKGFMVJKSNG-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95470;MM95470;C=NN(C)C(COC)=NO;VJFNYAZSNPRKQI-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95471;MM95471;CCNCCCC(C)=NO;GGQPRODTLQRDNA-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95472;MM95472;C=C(C=NO)C(C)CNC;JDYCLUMHYKELLO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95473;MM95473;CNN=COC=CC(C)O;QQHDAAJWSYUPPV-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95474;MM95474;C=CC(=NN)C(=O)NC;CESBORVODZQNIA-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95475;MM95475;C=CC=NN(C=O)CC=O;WHXVGURYLFABNW-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95476;MM95476;C=NOC(=O)C(N)=NNC;WQCBYVIBJCRCEA-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95477;MM95477;CCNC(C)CCN;IMBPNEGZDBFLBN-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95478;MM95478;C=C(C=NO)CCCNC;ZEAPADDNENHFDT-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95479;MM95479;CC(N)C(C)CCF;FGNBFSWFMSWGKL-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95480;MM95480;CN(C)N=CC(C#N)C#N;SXHILSSQRCYYHC-UHFFFAOYSA-N;136.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95481;MM95481;CNN=COC=CCOC;KOPNPRZFDICNPY-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95482;MM95482;C=CN(O)C(=NO)OCC;RBWYDHNJINSPAF-UHFFFAOYSA-N;146.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95483;MM95483;COC(CCCF)=NN;LAARBAVKJUURIS-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95484;MM95484;C=NN(C)C(=NO)OCC;IXZAPSIHKBWDBB-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95485;MM95485;CC=C(CC#N)C(O)C#N;WEKYJWQCOIIWKA-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95486;MM95486;N#CCC(=CF)C(O)C=O;RIELIFSBFMZWGX-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95487;MM95487;N#CCC(=CF)C(O)C#N;QFRWSKHRVYEJNL-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95488;MM95488;CC(C#N)C(CC=O)=NO;ZTEIKYIGOUXDAT-UHFFFAOYSA-N;140.14;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95489;MM95489;N#CCC(=NO)C(O)C#N;JVANWZUAKQIHTH-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95490;MM95490;CC=C(NC=O)C(C)C#N;APBLEDMKEZMFRR-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95491;MM95491;C=C(C)C(F)=CC(=N)N;LZEOJODKUPRBQN-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95492;MM95492;C=NNC(C#N)=CC#N;CFNOJCUGGNFFJD-UHFFFAOYSA-N;120.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95493;MM95493;CC=C(NC=O)C(O)C#N;RASVNFJOKRVQIK-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95494;MM95494;C=CC(O)C(=CF)NC=O;MYZSJCLUUMCSSQ-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95495;MM95495;O=CNC(=CF)C(F)C=O;CNXUAYCJVOTYFW-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95496;MM95496;N#CC(F)C(=CF)NC=O;KOKCJXIQKWELOF-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95497;MM95497;C=NNCC(F)(C#N)C#N;YBIWQKVCECCUFI-UHFFFAOYSA-N;140.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95498;MM95498;C=CNC(=NO)C(C)C=O;CQFLIXGWQHCOEX-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95499;MM95499;C=CNC(=NO)C(C)C#N;UAQOTQIPMYIXGQ-UHFFFAOYSA-N;139.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95500;MM95500;CC(C=O)C(=NO)NC=O;SDKVYZMLWPHPDK-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95501;MM95501;CC(=CCN)CC(C)N;NFSJJBYGZVYONS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95502;MM95502;C#CC(O)CN(C=C)C=N;XZTZWSJWMODRJO-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95503;MM95503;O=CNC(=NO)C(O)C=O;GYRQAIXCDMCUIQ-UHFFFAOYSA-N;146.1;-1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3";;;;;;;-1.53;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95504;MM95504;CCOCON=CCC#N;FWQUIIBNFIZLSH-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95505;MM95505;C=CN(C=C)C(=N)CO;QQUIXRPTOHSNFF-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95506;MM95506;C=CNC(=NO)C(F)C#N;GLUJRKMUYGBDSM-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95507;MM95507;C=NNC(=NO)C(C)C#N;OAZNIGHPFBLKOG-UHFFFAOYSA-N;140.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95508;MM95508;C=NNC(=NC)C(O)C#N;USSFQZYWZSWODC-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95509;MM95509;C=NNC(=NO)C(O)C#N;KXTKPPAFFLSACM-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15266;MM15266;C=COC(=CC)C(O)C#N;GFFKNQCVBCSVFR-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95510;MM95510;CC=C(OC=O)C(O)C#N;WLFRTKVCDSRQTE-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95511;MM95511;C=COC(=NO)C(C)C#N;UBZBXMFQWDTKDJ-UHFFFAOYSA-N;140.14;1.09;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95512;MM95512;CC(C#N)C(=NO)OC=O;NQBMGQGLTCNTGX-UHFFFAOYSA-N;142.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95513;MM95513;C=COC(=NO)C(O)C=C;PSBCHIHLAQGTQB-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95514;MM95514;C=COC(=NO)C(O)C#N;WWYKHNNDZRSBFA-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95515;MM95515;C=NOC(=NO)C(C)C#N;VRYHRFNHNARTRK-UHFFFAOYSA-N;141.13;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95516;MM95516;C=NOC(=NO)C(O)C#N;WTDPGFRIAICXMM-UHFFFAOYSA-N;143.1;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95517;MM95517;CCC(C)(N)C(C)NC;DTAUEERYPKTTEX-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95518;MM95518;CN(C=O)C(=CF)CC#N;XAVZWZSDYKBDNQ-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95519;MM95519;CCON=CC(O)C=O;DDUXERQUJVGMNO-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95520;MM95520;C=CN(C)C(CC#N)=NO;RMYZDUNEERMMQW-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95521;MM95521;CN=C(NC)N(C)O;CRLNBAKJUGKIBJ-UHFFFAOYSA-N;117.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95522;MM95522;C=CCNC(=N)N(C)O;CYHYYDZZNDUBCL-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95523;MM95523;CCNC(=NC)N(C)O;SYPJLKYVYRMZOF-UHFFFAOYSA-N;131.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95524;MM95524;CCN=C(NC)N(C)O;SYPJLKYVYRMZOF-UHFFFAOYSA-N;131.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95525;MM95525;C=NN(C)C(CC#N)=NO;BSXPNWRVXNVNGZ-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95526;MM95526;C=CC(=C)C(=O)NN(C)C;LIGVEUSDHPAWTE-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95527;MM95527;CC=C(CN)CC(C)N;AJNMLPPPHFTKKP-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95528;MM95528;NCCCC(F)CCN;OUHRLHZIPYGVKA-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95529;MM95529;CCN(N)C(=N)C(=N)N;IVLNIQBIPFGQMX-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95530;MM95530;CC=NN(CC)C(=O)CO;VWALCHVETUZZNR-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95531;MM95531;CCCNC(C)C(C)N;JDPUXQWFGCFRBG-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95532;MM95532;CC=CNC(=N)NO;ABAIYWJUWJVSAL-UHFFFAOYSA-N;115.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95533;MM95533;C=C(OC=NN)C(C)O;PXURHHXUBZVUIE-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95534;MM95534;CCC(CO)C(=N)N(C)N;FGBGLHPTWPXXSO-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95535;MM95535;C=CCC(CN)CNC;NTKOMHMLJMBKHL-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95536;MM95536;NCCC(=CF)CCN;QLOXAXALXQEJBH-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95537;MM95537;C=CC(CNC)C(C)N;HGJDFVZDDHHFHZ-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95538;MM95538;C#CC(CO)OC=NN;MEQFMUDOWGJMNZ-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95539;MM95539;CC=C(CO)OC=NN;DVCZPEWLTMIBES-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95540;MM95540;C=CN(O)C=NOC=NN;IAJNEHDYOPBLMW-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95541;MM95541;C=NN=C(CC(C)O)NO;OLPNOWYYEUTUAV-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95542;MM95542;N#CCCCON=CCO;HBSVXTJKMFIMMM-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95543;MM95543;OCCCON=CCF;AARJWGPFWYSBTH-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95544;MM95544;C=CN(O)C(=NO)NC=O;SJYFLPCHIDUDJM-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95545;MM95545;CNN=COCOCOC;GQPZEWGHFUSPTF-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95546;MM95546;C=NOC(=N)NC(=N)C#N;ACSFMZZTCFPJQC-UHFFFAOYSA-N;139.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95547;MM95547;C=C(COC)OC=NN;LVOYQPAXTHUXGU-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95548;MM95548;CCN=C(N)CC(=O)CC;SCMONAIPIWTQMM-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95549;MM95549;C#CCNC(=N)C(F)F;LYEVEJQMOQWWFM-UHFFFAOYSA-N;132.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95550;MM95550;N#CCNN=CC(O)C=O;ZSJLELBJKLACLL-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95551;MM95551;C=CC(C)N(C)NC(C)=O;DCDJRGCLPWMMDU-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95552;MM95552;CNC(C)C(C)C(C)C=O;KODFQZIUEVCLNJ-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95553;MM95553;CC=C(OC=O)C(=N)N;RKVXJZIOXOSWQV-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95554;MM95554;C#CC(O)CN(C=O)N=C;NAXWYSHYCPYUMO-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95555;MM95555;C=CC(C(=N)N)=C(C)F;ZTGXCQNDWLHWJH-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95556;MM95556;CC(N)CC(F)(F)CCN;BHQMKGDQGUNVTJ-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95557;MM95557;CNN(C=O)C(C#N)CO;RTZASWBYLXAHPQ-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95558;MM95558;CON=C(CO)CCC=O;LYUOSSIZIFHTNP-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95559;MM95559;C=CN(C)C(=NO)ON=C;HWAFORFVKYSSJK-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95560;MM95560;CNCC(C)(C)C=C(F)F;IKODGUZQRACMPY-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95561;MM95561;CCOC(=NOC)NO;XZRWNFWSJUYNKA-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95562;MM95562;CN=C(C)NNC(C)(C)C;DYYSNHCUBDHCIB-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95563;MM95563;CCC(C)(F)CC(=N)NN;DLCKWQPDHJGYLN-UHFFFAOYSA-N;147.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95564;MM95564;CCCC(C)(N)C(C)NC;LUSKNCZEMBVQIV-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95565;MM95565;C#CCCC(C)(N)CCN;QJLBZYWQFXYBQR-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95566;MM95566;CNC(=N)C(=N)NC=NN;FTMXZJOSCDVQGQ-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95567;MM95567;N=C(N)C(=CN)OC=NN;KIBZAMZDDVUTLP-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95568;MM95568;C#CCC(=NO)N(C)C=O;LKNVWWJEDRKAQB-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95569;MM95569;C#CC(C)(CCN)C(C)N;IDALDNWLGYNCKU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95570;MM95570;CNC=NCC(F)COC;AABCVWIJJSCUMR-UHFFFAOYSA-N;148.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95571;MM95571;C#CCC(=NO)N(O)C=C;MBKGDLCNUMUIFH-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95572;MM95572;C#CCC(=NO)N(C)N=C;BXSIIIAXBFGCIF-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95573;MM95573;C=CC(C)(NN=C)C(=N)N;DEXFDNZQCQHJDK-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95574;MM95574;C=C(OC(=O)C=O)C(=N)N;ZWQJAJKWIUKBCA-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95575;MM95575;C#CC(C)C(CCO)=NO;PCKOVGSBFHLIQO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95576;MM95576;COC(C)CC#CC(=N)N;AEBCITUVWJEBPJ-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95577;MM95577;C#CC(O)C(COC)=NN;XLWANFPGWWXTON-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95578;MM95578;CCON=C(NO)OC;YSOUQLQDQYFODQ-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16344;MM16344;C#CC(F)C(COC)=NO;RTNRSHUFPNPBRT-UHFFFAOYSA-N;145.13;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95579;MM95579;C=C(C=CCC(C)N)CN;MXKLMJNAFFZOCE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95580;MM95580;CCCOC(=NOC)NO;GWWFCZVKRITBLS-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95581;MM95581;CNCC(C)CC(C)=NO;UHFXLHZNDMKNJQ-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95582;MM95582;C=CC(CCCNC)=NO;DJVFZWLOCQRQGT-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95583;MM95583;CON=CN(C)N=CCO;HTQYMGURQWCCRR-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95584;MM95584;CNC(=N)C#CCN(C)C;DZIUJZKAIPTNAE-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95585;MM95585;CNC(=CC#N)CNC=O;IWADTTZYSDCFID-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95586;MM95586;N=C(N)NC(=NO)NN;TUQQXJZMQKNDIP-UHFFFAOYSA-N;132.13;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95587;MM95587;C#CC(O)C(=NOC)NO;FPFABMOFGVYLSO-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95588;MM95588;C=CC(O)C(=NC)NC;XPLLTHHTDMQUOC-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95589;MM95589;CNCCCC#CCO;MVVBMAFLEWMOQA-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95590;MM95590;C#CC(F)C(=NOC)NO;FIXXZDKJZLCUAR-UHFFFAOYSA-N;146.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95591;MM95591;C#CC(O)C(=NN)OCC;MXULDQCNEOTQNE-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95592;MM95592;C#CC(O)C(=NO)OCC;XGOLTKSTXMWHMG-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95593;MM95593;C#CC(O)C(=CF)CC=O;FIJXQOHJUZWQSF-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95594;MM95594;C#CC(O)C(CC#N)=NO;MASFDJGZLHKNLL-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM16323;MM16323;C#CC(F)C(CC#N)=NO;CEWMELOSROBHNL-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95595;MM95595;CC(CN)=C(C)CC(C)N;GJFANJAHATZIRT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95596;MM95596;C=C(C)CC(CN)CNC;LZIUBQDRUJLZRF-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95597;MM95597;CC=NN(C)C(N)=O;DOPQOAAXQLYWAJ-UHFFFAOYSA-N;115.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95598;MM95598;C=CCN(N=CC)C(N)=O;CLNLEDLKWVICPK-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95599;MM95599;C#CC(O)C(=CC)NC=O;IFYYASLJSGXTIF-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95600;MM95600;CCC(C)N(O)C(=N)N;BTRHKBPAQUZVGP-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95601;MM95601;C#CC(O)C(=CF)NC=O;HAIDJXSBRJKETE-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95602;MM95602;C#CC(F)C(=CF)NC=O;ZZJSKNNUFBRVFH-UHFFFAOYSA-N;145.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95603;MM95603;C#CC(C)C(=NC)NC=O;VQLGYYSJFLLJOW-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95604;MM95604;C=CC(=CCO)OC=NN;KGZNAINXTHOPAH-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95605;MM95605;C#CC(C)C(=NO)NC=O;BAHZENBRAYNBAO-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95606;MM95606;C=CNC(=N)N(O)CC;IONKVJWJWFSDDV-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95607;MM95607;CCC=NN(C)C(N)=O;PLLRMLWUZRNWFO-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95608;MM95608;C=NOC(=O)CCC=O;WCXPWJFOCMHOPF-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95609;MM95609;C#CC(F)C(=NC)NC=O;PCTPQIQIOHYVAZ-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95610;MM95610;C#CC(F)C(=NO)NC=C;CQIUUSXPSFNCQT-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95611;MM95611;C=COC=NNCCCO;HRPVPRVWSCZPDQ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95612;MM95612;COCC(=O)N(N)C=O;ZJCFARDIDLLPGN-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95613;MM95613;C=NNC(N)=C(F)C#N;DDGUBFQHGYQUEL-UHFFFAOYSA-N;128.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95614;MM95614;C#CC(O)C(=NO)NN=C;FPFDKTKXFUJDGQ-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95615;MM95615;C#CC(O)C(=NN)OC=C;BSXRUFZFQJGVNZ-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95616;MM95616;C#CC(O)C(=NO)OC=C;GMHOEZPFXIFKDA-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95617;MM95617;C#CC(O)C(=NN)ON=C;SSGHYKAMUZQLAM-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95618;MM95618;C#CCC(=NO)C(O)C#C;IWYGZHXEUUPWBS-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95619;MM95619;C=C(F)CC(CN)CNC;XFURFBLCLQQGFV-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95620;MM95620;CCCC(=CN)C(=O)CC;KXMLUHYWIOHIGK-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95621;MM95621;C=CC=C(CN)CC(C)N;ZQZODQUJHUILGE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95622;MM95622;CC(C)=C(CN)CC(C)N;QYGWXDPWRZFEID-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95623;MM95623;C=CNC(=N)N(O)CCC;SVSHVLWVCAGXGN-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95624;MM95624;C#CC(C#N)(C#N)NN=C;CKKCECRCYFFGJX-UHFFFAOYSA-N;132.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95625;MM95625;C#CC(=NNC)C(C)C#N;YFRDEXWUNQIGGF-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95626;MM95626;C#CC(=NNC)ON=C;QRUMYKRWIFEITA-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95627;MM95627;C=COCCC#CC(=N)N;PCUQMXMOVBRGCV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95628;MM95628;CNN=COCC(C)C#N;CFKJFOUHGDXUBZ-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95629;MM95629;CC=CCNC(=N)NO;YIKXKZGBKGTFEY-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95630;MM95630;CCCC(=NO)C(=O)NC;UCEFVYMWSQVMNA-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95631;MM95631;C=CCCN=C(NC)NO;SKGZNERVHUFTJU-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95632;MM95632;N#CC(N)=C(CO)C(=N)N;VHYMPDARHQVICK-UHFFFAOYSA-N;140.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95633;MM95633;Cc1oc(=NN)oc1N;PZTBGSSYJFHCRW-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95634;MM95634;COC=C(C)OC=NN;BLMAJOHBCLKTBC-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95635;MM95635;CNN=CC(C#N)=COC;PVZDGLWNCDRZNV-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95636;MM95636;CC#CCC(=N)NCCO;OYHISWXJONZFDJ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95637;MM95637;N=C(N)C=C(F)C=CCO;GSGOAPFJPHIHHL-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95638;MM95638;CCC(=O)C(=NOC)NO;VIPUVGHIHHJXND-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95639;MM95639;CC(N)C(C)CCOC=O;KBHZEKMAIBYIET-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95640;MM95640;CN=C(NN)C(C)CCO;NDBYNNLKYCJSDK-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95641;MM95641;CN(CC#N)N=CCF;XCMNULYOENEUHA-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95642;MM95642;C#CCC(O)C(C#N)=CN;GZGNWEQPWNGFJB-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95643;MM95643;C#CC(CO)OC=NNC;PVOKXPQHZYBERV-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95644;MM95644;CCC(=NNC)OCC=O;QIGLFZREEZBPOC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95645;MM95645;C#CC(C#C)N(O)C=NN;FEXYXIBVRUASEL-UHFFFAOYSA-N;137.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95646;MM95646;CNN=C(CO)CC#N;LLVTVSWYLCQAQJ-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95647;MM95647;CNC(=CC#N)C(C)O;NVGNCZZJIHYAHH-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95648;MM95648;C=C(C(N)=CC#N)C(C)O;HPWWYVLWRIFILC-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95649;MM95649;C=C(C)N=C(C=O)NO;LJGXMYVWGPVEMA-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95650;MM95650;C=C(C=O)C(=NOC)NO;QMYXWOKVRQARGR-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95651;MM95651;CNC(C)C(C)CNC=O;JCUALWWYRLUBDZ-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95652;MM95652;C#CC(C#C)=NNCCO;MXIJORXEVPGMRF-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95653;MM95653;C=C(OCC)C(=N)N(C)N;WRBRCOIRNGOFOX-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95654;MM95654;CC(CC(N)=O)C(C)(C)N;XQHGWNNADADYSR-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95655;MM95655;CCC(=NNCC=O)OC;VDQUWRNBKYFQEJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95656;MM95656;C#CC(C)=NOCC(C)=O;GJOMMKGOTUBPCM-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95657;MM95657;CCC(CNC)CC(N)=O;PVSYQXYPECPRDO-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95658;MM95658;CNC(=NOC)C(=O)NN;WJSBIPLSCXGWNY-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95659;MM95659;CNN=CC(C#N)=NOC;LKSIMARQFDXFHH-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95660;MM95660;C#CC=NNCC(F)C#N;GVCJYNYPQBCGKY-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95661;MM95661;C#CC(N=C(N)C=O)=NC;BUTONONZFFBACQ-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95662;MM95662;C=NOC(=O)C(C)=NN;BRYUIEYMVLJEGT-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95663;MM95663;COCCON=CCF;MHFBEIBEAUMIHC-UHFFFAOYSA-N;135.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95664;MM95664;CC=CC(CNC)C(C)N;CGSOULNDOYFRJC-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95665;MM95665;CCN=CNC(=NC)NN;MNZVSGSRPWHKIA-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95666;MM95666;CC(N)CC=C(CN)CF;OJTLHYKUVGVZKR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95667;MM95667;CC(=O)C=CC(N)=CC#N;UUTGSKCNUMHKAT-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95668;MM95668;CC=C(OCC)C(=O)NO;IQFCGRSHSDDUQU-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95669;MM95669;C=C(CO)C(=NO)OCC;ABJYTPLOOIFFEO-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95670;MM95670;CNN=C(NC)C(=N)N;CGTYXJLPFVBAPW-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95671;MM95671;N#CCC(=CF)C(=O)CO;HBIOSYBMGNFJLW-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95672;MM95672;C#CC(=NNC)C(O)CO;MQPPHZUASZAEOQ-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95673;MM95673;C=CC(C)C(=O)NN(C)C;ZKYHSSNEKGDMNM-UHFFFAOYSA-N;142.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95674;MM95674;CC=NOC(=NN)C(N)=O;UDLMIENBMCMSDE-UHFFFAOYSA-N;144.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95675;MM95675;CNC(=O)C(=CN)CC#N;NGKFFPVSQUUXBQ-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95676;MM95676;N#CCC(=CN)C(=O)NO;MGKRWWWSFQUNHX-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95677;MM95677;CNC(=O)C(=CF)CC#N;QEXWPVQBEUHJLI-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95678;MM95678;COC(=O)C(=CN)CC#N;NQCOGIHPYQFLAZ-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95679;MM95679;C=C(CC)C(CC=O)=NO;RXHRXWWWLQGZHE-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95680;MM95680;C#CC(=O)C=CNC=N;MRXNFFQWEPTVJA-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95681;MM95681;N#CCC(=NO)C(=N)NO;BFEXOIBLFHOJJN-UHFFFAOYSA-N;142.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95682;MM95682;OCC#CC=NOCCO;HLFIATUHMRJZDM-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95683;MM95683;CCON=C(NO)OCC;JMGKCZWXPSHGFE-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95684;MM95684;CC(O)C(N)=C(C#N)CF;UEGIRQWSQUNDPX-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95685;MM95685;CC(O)CON=CCF;MYGGEMNJIPNUKF-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95686;MM95686;N#CCON=CCC=O;FZHOBOZIYLQYSZ-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95687;MM95687;CC=C(NC=O)C(=O)NC;QMPOKECVJJNDAE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95688;MM95688;CCC(OC=NN)C(=N)N;ACPPZSBRMFAWCC-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95689;MM95689;CNN=COC(C)=CCO;WGVFUXLWRWHOEX-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95690;MM95690;C=CC(=CCC(C)N)CN;SFXZCPDXCORFKV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95691;MM95691;CCC(N)C(C)C(N)CC;NKDVZYWGNVBAMF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95692;MM95692;CNC(C)C(C)C(N)CN;BIWUXPLRWDWYHB-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95693;MM95693;C=C(CC)C(=NN)NC=O;QGKQOYJNKKXDSV-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95694;MM95694;C=C(CC)C(=NO)NC=O;CUUNRMMWMSBCIL-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95695;MM95695;CCC(=O)C(=NO)NC=O;CIBSQNNLLJECSJ-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95696;MM95696;NN=COC=CCO;NAHCEQZMOREPIB-UHFFFAOYSA-N;116.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95697;MM95697;C=NNC(=NO)C(=O)CC;FLKJIBYINPBLPI-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95698;MM95698;CCC(C)C(N)CCNC;IEWCQGRVSQUJQA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95699;MM95699;C=CC(CCF)C(N)CC;ALMSBFUFYSTXCN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95700;MM95700;C=C(CN)N(C=N)C=CC;DJAQSYZBQLHNIZ-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95701;MM95701;C#CC(=O)N=CN(N)C=O;GHIJGELDLWRYDZ-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95702;MM95702;C=NNC(=N)C(=O)C#N;FSTFDFWDFNIZOQ-UHFFFAOYSA-N;124.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95703;MM95703;CON(C)C(CF)=NN;NRTKLGQVLVKTLX-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95704;MM95704;C=NNC(C#N)(C#N)CF;PCWCJQVBMLDKLJ-UHFFFAOYSA-N;140.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95705;MM95705;C=COC(C)=NNC;JGTYFZMALHUZEW-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95706;MM95706;CN(C=NC=NN)C(=N)N;OMNDOYFBYSQQJM-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95707;MM95707;CC(=O)N=CN(C)C(=N)N;KNZWNSXGZVXOOJ-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95708;MM95708;C=CNC(=NO)C(=O)NN;DIGGDRJLYQUGQK-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95709;MM95709;CC=NNC(C#N)=CC#N;SUSPUPIJNBKNGK-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95710;MM95710;COC(C)ON=CCC#N;BATNCPBVWFHYFC-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95711;MM95711;N#CC(=CN)C(O)CF;MJHMHGYAKQWPMU-UHFFFAOYSA-N;130.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95712;MM95712;C=NOC(=O)C(C)O;RRHRIEVGCWAZDQ-UHFFFAOYSA-N;117.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95713;MM95713;C#CCCNC(=O)ON=C;FWVFVNXXAJMNTQ-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95714;MM95714;NC(=O)ON=CNO;XUDURMJXODPWKH-UHFFFAOYSA-N;119.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4";;;;;;;-1.62;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95715;MM95715;C=NNC(=NO)C(=O)NC;DEODRSUFDJMJSD-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95716;MM95716;CNCC(CN)CC=CF;LAUOORSKZVPBRB-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95717;MM95717;CNN(CC#N)C(=O)CO;QNZWGXRKIVDOIA-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95718;MM95718;CC=NOC=NOC(N)=O;IMBLKOYYSIPDJA-UHFFFAOYSA-N;145.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95719;MM95719;C=NOC(=O)NC;GUSNEJAZBOJSKH-UHFFFAOYSA-N;102.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95720;MM95720;CC(C)(O)C(C#N)=CN;HAKSHDVTJBVSRI-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95721;MM95721;COC=NNCC#CCO;YQUVOPGFWYYEIY-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95722;MM95722;CN=C(CC#CC=O)NC;CBANDMYSIWEHQA-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95723;MM95723;C=CCOC(=NOC)NO;IDJKOADETQZBMS-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95724;MM95724;C=COC(=CN)C(=O)NC;DYQVJNYEMUPMSC-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95725;MM95725;C=COC(=CN)C(=O)NO;SIAJSWJDZLQFEV-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95726;MM95726;C=COC(=CN)C(=O)OC;SHXWLMVBZMRKPR-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95727;MM95727;C=COC(=NO)C(=C)CO;IWASFKSGLMFTSX-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95728;MM95728;CN=C(NO)C(F)C#N;PCSHELGOOASXNJ-UHFFFAOYSA-N;131.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95729;MM95729;CC#CCN(C=N)C(=N)N;JSERMWFZCKEZGB-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95730;MM95730;CCCCONC(=N)N;UVBXXSGUCAGHBX-UHFFFAOYSA-N;131.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95731;MM95731;CCNN=C(CF)N(C)O;SHZUNTQMJVVAPL-UHFFFAOYSA-N;149.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95732;MM95732;C#CCC(=NO)C(=N)NO;BMFZZAVBGASIIX-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95733;MM95733;N#CC(=O)C(=CN)CCF;MMTZPMIZMOOCHP-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95734;MM95734;C#CC(=CCCN)CCN;BATLWPANPYLNAO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95735;MM95735;C#CC(CCCN)C(C)N;KDPJKSZVWPLFTJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95736;MM95736;C=CC(=O)C(=CN)COC;GUNOXTBACSHMPN-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95737;MM95737;COCC(=CN)C(=O)C=O;KEJRMHPFRGWYGL-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95738;MM95738;COCC(=CN)C(=O)C#N;LSAVZHWUDHGXRV-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95739;MM95739;C=C(C=O)C(CCO)=NO;PSZDBNUSUMPZJX-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95740;MM95740;N#CC(=O)C(CCO)=NO;GMUOKFQAALHCDH-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95741;MM95741;C=CC(CN)C(C=C)CN;FEBJNVFTQNIASR-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95742;MM95742;CC(C)=CN=C(C=O)NO;IFLIZOIFKHCLFU-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95743;MM95743;C=C(C=O)C(COC)=NO;MFDVYLRNXPXIFT-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95744;MM95744;C=C(C#N)C(COC)=NO;SDWIPKSJANIHEE-UHFFFAOYSA-N;140.14;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95745;MM95745;C=CC(=O)C(COC)=NO;ZWBALYFAZUZJLS-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95746;MM95746;CCC(=NO)C(C)(C)N;BFYMRSXJMMPOHU-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95747;MM95747;C#CC(CC(=C)CN)=NO;WMJYPQBMDCYFCA-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95748;MM95748;CNN=C(NO)C(=O)C#N;ALZMBRUUYMMFRO-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95749;MM95749;CN(C=CC#N)N=CCO;YAQNUNMIVZELKJ-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95750;MM95750;C=NN=CN(N)C(N)=O;WADKBAWKAVTZJB-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95751;MM95751;C=CN(C=N)C(=CC)CN;YQCPWYDZYKAHFC-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95752;MM95752;CC#CC(=O)ON=CNO;JJVQAYKPFMIELO-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95753;MM95753;C=CC(=O)C(=NOC)NO;BCONKQDCGPJCFY-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95754;MM95754;CON=C(NO)C(=O)C#N;IYTPWZPNUWUIFN-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95755;MM95755;CCOC(=CN)C(=O)C#N;WPSRDPRLGBKXMN-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95756;MM95756;C=CC(=O)C(=CN)CC#N;SRJBSDZNQQSYTM-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95757;MM95757;C=CCC(=CN)C(=O)C#N;IHDFKKFZWRJTNM-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95758;MM95758;N#CCC(=CN)C(=O)C=O;RNKXIIDOEWNLEG-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95759;MM95759;N#CCC(=CN)C(=O)C#N;BWPRREUOUTXTEA-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95760;MM95760;O=CCC(=NO)C(=O)C=O;NCKILDVDLRZBHN-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95761;MM95761;N#CCC(=NO)C(=O)C#N;JTWKZGMJDAMDGL-UHFFFAOYSA-N;137.1;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95762;MM95762;C=CC(C=CCCN)CN;VUYJXVLJBHZLQM-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95763;MM95763;C=CN(C=N)C=CC=NN;LJTCXEAYCYOPCX-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95764;MM95764;CC=C(NC=O)C(=O)C#N;LJVOOAYQGZZHIS-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95765;MM95765;C=CC(=O)C(=CN)NC=O;BZBPUUSTPBBWJC-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95766;MM95766;CC(=CC(C)N)OC=NO;KPQLZFWLMDWXTP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95767;MM95767;N#CC(=O)C(=CN)NC=O;JHGFNKBFXNQKGG-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95768;MM95768;C=C(C#N)C(=NC)NC=O;GDKDKPBWBHRWIG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95769;MM95769;C=CC(=C)C(=NN)NC=O;WFHVXSAHJDZDFI-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95770;MM95770;C=CC(=C)C(=NO)NC=O;XXFIHGZXRLGITP-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95771;MM95771;C=CNC(=NO)C(=C)C=O;JLNKVZOMEMTHTC-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95772;MM95772;C=CNC(=NO)C(=C)C#N;KFYCOEXMAYVYHR-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95773;MM95773;C=C(C=O)C(=NO)NC=O;GNQSHAYDJBFUEC-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95774;MM95774;C=CNC(=NO)C(=O)C=C;DLRULBXSGWXPRW-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95775;MM95775;C=CC(=O)C(=NO)NC=O;OSTNAOOTUHQEIB-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95776;MM95776;C=NNC(=NO)C(=C)C#N;NGUIMTNINUXHNG-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95777;MM95777;C=NNC(=NO)C(=O)C#N;RFIADPMHCXOFEH-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95778;MM95778;C=COC(=CN)C(=O)C#N;KFVUWVBHHAHESU-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95779;MM95779;C=COC(=NO)C(=C)C=O;BTHLYCPQBMPXNR-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95780;MM95780;C=COC(=NO)C(=O)C=C;KVXARCRBQZTABQ-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95781;MM95781;C=NOC(=NO)C(=O)C=O;DRPKGPDCPWGBPS-UHFFFAOYSA-N;144.09;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95782;MM95782;C=NOC(=NO)C(=O)C#N;ZQOXMQDEIVLUSH-UHFFFAOYSA-N;141.09;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95783;MM95783;C#CCC(=NO)C(=O)C#N;GCOVJKOXZOPZHC-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95784;MM95784;C#CC(=O)C(=CF)CCO;HQZKLSXSBFQIIW-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95785;MM95785;C#CC(=O)C(=CN)COC;GYCRZCDIAMVQKE-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95786;MM95786;C#CC(=C)C(CCO)=NO;SKPVTHZLYUNXCX-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95787;MM95787;C#CC(=O)C(COC)=NO;SXWMEHICOOGWRD-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95788;MM95788;CCOC=NNCCC#N;UZWNPJSVQRRNPD-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95789;MM95789;NN=COC=COC=NN;ZYNPQFYHJHOKQJ-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95790;MM95790;CCC(=NNC)OCOC;POKMGMQEZJNBRX-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95791;MM95791;CCNN=COCCC#N;WSIDYZLIOXBCJJ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95792;MM95792;CNNC=N;UTDJDMYLQSJAMW-UHFFFAOYSA-N;73.1;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95793;MM95793;CC(C)C(C)N;JOZZAIIGWFLONA-UHFFFAOYSA-N;87.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95794;MM95794;C=CC#CC(=NN)ON=C;ZGVOHYXSOFYNSP-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95795;MM95795;C#CC(=O)C(=NOC)NO;IIBPUTSGYKBPME-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95796;MM95796;C#CC(=O)C(=CN)CC#N;IOKXNTLIEJVUFW-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95797;MM95797;C#CC(=O)C(CC#N)=NO;OLZURUACDLAWJN-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95798;MM95798;C#CC(=O)C(=CC)NC=O;FHALPIWJMXFNSQ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95799;MM95799;CC=NOC(=O)C=CN;ITOZNTXLSNQJOM-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95800;MM95800;C#CC(=O)C(=CN)NC=O;LAACQHYZVLPPMM-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95801;MM95801;CC=C(NC=N)C(O)C#N;PQGBHBKIRKHQPO-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95802;MM95802;C#CC(=O)C(=CF)NC=O;LVRFDYAUNKIBNW-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95803;MM95803;CCC(N)CC;PQPFFKCJENSZKL-UHFFFAOYSA-N;87.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95804;MM95804;C#CC(=C)C(=NC)NC=O;CAZYKGRGMLOBBP-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95805;MM95805;CN(N)C(=NO)NC(=N)N;IBIJFEQRPBQCOZ-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95806;MM95806;C#CCCN(CC)NC=O;SJEBJIUGNOZZMM-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95807;MM95807;C#CC(=C)C(=NN)NC=O;TWJSWQDCEFZFLL-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95808;MM95808;CC(C)=CC(=O)NN(C)C;ZQNBPAWBEBJCIU-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95809;MM95809;C=C(F)C(O)CNC=NC;BIOYLVYSRLPXQQ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95810;MM95810;CC=C(C)N(O)C(=N)N;RNEUCYGZOIVKMU-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15491;MM15491;C#CC(=C)C(=NO)NN=C;QJTUHOVISNAQKD-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95811;MM95811;C#CC(=O)C(=CN)OC=C;TXDZQGAEAIXUMU-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95812;MM95812;C#CC(=C)C(=NO)OC=O;PIUTXBBJKBBSEA-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95813;MM95813;C#CC(=O)C(=NO)ON=C;BQDOVHLBSVLTBE-UHFFFAOYSA-N;140.1;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95814;MM95814;C=CCCNC;QKWULNOMHKBBLA-UHFFFAOYSA-N;85.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95815;MM95815;CNCCCNC;UQUPIHHYKUEXQD-UHFFFAOYSA-N;102.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95816;MM95816;CNCCC=CF;QGKSYBKUZGFVAZ-UHFFFAOYSA-N;103.14;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95817;MM95817;CNC(=O)ON=CNO;SUUCOTWEOQBJDQ-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95818;MM95818;CC(CF)C(C=NO)=NN;KRVUEMRFHRKFRX-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95819;MM95819;CNC(C)(C)CCN;NYMUFPYZUWOCSU-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95820;MM95820;COC(C)C(C=CN)=NO;VZAKVRHZFKQKNG-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95821;MM95821;COC(C)C(C=NO)=NN;DKDDNRDMWVIIKF-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95822;MM95822;C=CNC(=N)N(O)C=CC;QYWWLWRRUSSALZ-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95823;MM95823;C=CCN(O)C(=N)NC;QZJMAFAAWQGMKD-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95824;MM95824;N#CC=C(N)C=CNC=O;XQYDUBZGKCNLOF-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95825;MM95825;CNN=C(C)OCC=O;TVXFGGSICPLPIE-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95826;MM95826;C=CCON=C(NO)OC;GZERXTSMLPYQPV-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95827;MM95827;CON=C(C#CCF)NO;IHGPSEFGZMYARF-UHFFFAOYSA-N;146.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95828;MM95828;CON(C)C(C=NO)=NN;QAYFJLMEWNUCCI-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95829;MM95829;CON(C)C(C=NN)=NO;NZGJXZOFBZVISK-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95830;MM95830;N#CC(F)C(C=NO)=CN;ATVMGSNHLKRUHU-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95831;MM95831;CN=C(NC(C)C)N(C)O;HKLYUMHETBWWNY-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95832;MM95832;CC=CC(=NO)C(O)C#N;MWUGPWQOCMPVOP-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95833;MM95833;C=CC(O)C(C=NO)=NO;YZRMTNKBAWSIMK-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95834;MM95834;N#CC(O)C(C=NO)=NO;QHRCALJDPGZKEX-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2";;;;;;;-0.67;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95835;MM95835;C=CC(C)(C)CNC;GUJKQAGLEDBCBP-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95836;MM95836;C=CC(CO)ON=CCF;PBWNZPJAOQGSQE-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95837;MM95837;CNC(=NC(C)C)N(C)O;HKLYUMHETBWWNY-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95838;MM95838;NC=C(C=NN)N(O)C=O;LXDWYXAJMBADGT-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95839;MM95839;CC=C(C)NC(=N)NO;JIISPKRVZHHHBA-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95840;MM95840;CC=C(NC(=N)NO)OC;HYSOBZZQTYMFBU-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95841;MM95841;C=NN=CN(N)C(=O)NC;PNFSULQQLKZGNP-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95842;MM95842;CN=CC(CO)=C(C)NO;SOAMPUXCUYBVCE-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95843;MM95843;C=CCN=C(NO)N(C)C;SHPFHOIQSWTQIH-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95844;MM95844;C=CCN(C)C(=NC)NO;XLPBXQVERNFGIH-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95845;MM95845;CN=C(C)NC(CO)CF;RHWAYFBOUQTERK-UHFFFAOYSA-N;148.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95846;MM95846;CCNC(=CC#N)CO;CHYAJYCYIZUMIA-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95847;MM95847;C=CN(O)C(C=CN)=NO;NBSZNXXQAYKJCB-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95848;MM95848;CC(CC#N)ON=CCO;NKTMUDQRRDQHRT-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95849;MM95849;C=C(C)N(C=N)CC(C)O;MNAHZKATAQPSHM-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95850;MM95850;CC=C(C)C(=NN)C(N)=O;PVPLDHRNIBMFLA-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95851;MM95851;C=CN(O)C(C=NO)=NO;UJTSFPMFYWFWQJ-UHFFFAOYSA-N;145.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95852;MM95852;CC=NOC(=O)CCCO;DSQFIQLEXVZTLH-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95853;MM95853;COC(C)=NNCC=O;XEXNTILNXIDLEK-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95854;MM95854;C=NN(C)C(C=NO)=NN;LDLNKWJDNXGFPM-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95855;MM95855;C=NN(C)C(C=NN)=NO;NHTLQORHDRUFHF-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95856;MM95856;C#CC(F)C(C=NO)=CN;JXQFYLMPKJDUDA-UHFFFAOYSA-N;142.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95857;MM95857;C#CC(F)C(C=NO)=NN;GLFMIJASURMWPO-UHFFFAOYSA-N;143.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95858;MM95858;CC=CC(=CN)C(=O)CO;YHVYTGPCXPTSLE-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95859;MM95859;CNN=CC(C#N)C#N;NQBRLBHMQNPLAX-UHFFFAOYSA-N;122.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95860;MM95860;CCNN=COC=NN;KCMINGCULHTQMG-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95861;MM95861;C=C(CO)C(C=NO)=NN;AHUCSSLLKYXYLO-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95862;MM95862;CCC(=O)C(=CNO)N=O;YNPJWDVQQZTJAW-UHFFFAOYSA-N;144.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95863;MM95863;C=C(C)N(C=N)C=CCO;YVMCMKTXCAAHTJ-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95864;MM95864;C=COCOC(C)=NNC;MDAPUKGGYJXMQP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95865;MM95865;C=NOC(C#CC)=NN;AVGWHXVBNWSVGW-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95866;MM95866;C=C(OC)C(C=NO)=NN;OTYKCZJDTYEBDB-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95867;MM95867;C=C(OC)C(C=NN)=NO;ZHIOQAPUDLNBHZ-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95868;MM95868;N#CC=C(N)C(O)C=O;DFBLKXUQDPWARL-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95869;MM95869;NC=C(C=CF)C(=O)C=O;IWNNYELYGVLVEM-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95870;MM95870;C=C(C#N)C(C=NO)=CN;LKPUKQQWHRNJQK-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95871;MM95871;C#CC(=O)C(C#N)ON=C;LPRBZGSETFOLSE-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95872;MM95872;N#CC(=O)C(C=NO)=NO;PXGGWYQKJXHALU-UHFFFAOYSA-N;141.09;-0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95873;MM95873;CNC(C)CC(C)N;KHWPAJXYVSBJNM-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95874;MM95874;CCNCCC(C)N;ZVSKBEICYCVPKS-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95875;MM95875;C#CC(=O)C(C=CN)=NO;XBEAHUWFJIGQPY-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95876;MM95876;C=NOC(=N)N(O)CC#N;GNRVLVOLLVYTMP-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95877;MM95877;C#CC(=C)C(C=NO)=NO;NFPCQMSXPUSYRH-UHFFFAOYSA-N;138.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95878;MM95878;C#CC(=O)C(C=NO)=NO;WWNZTUXLCNNPGY-UHFFFAOYSA-N;140.1;-0.52;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95879;MM95879;CC#CC(=CF)C(O)CO;PWTXJGBFTQKGCV-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95880;MM95880;CNN=CN(O)C=NOC;OMDMICFOEDFHCY-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95881;MM95881;CC#CC(=NO)C(O)CF;JMLOIZBGKQCDSY-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95882;MM95882;CC(N)CC=CCN;NOVRWDXYUYOPRG-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95883;MM95883;C=NN=CN(O)C=NNC;BNIREMIAWLNEHI-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95884;MM95884;CC(CO)=NOCCCF;DALMKDNCJUSSIP-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95885;MM95885;CC#CC(=NO)N(O)CC;QGYDGIFJGQKPHN-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95886;MM95886;C=C(C=NOC=O)C(C)O;RLGPCUIQIGNYSR-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95887;MM95887;CC(C)N=C(C=O)NO;OSRFMINUOFECMU-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95888;MM95888;CC#CC(=NO)C(O)C#N;SRAHZJVBAWCLMI-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95889;MM95889;C=C(CO)C(=NOC)OC;YEIYIBIVNXOVDS-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95890;MM95890;C#CC=NNCC(=O)C#N;JREWJRWJNJOHOH-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95891;MM95891;CC#CC(=NO)N(C)C=O;UONGVWXCQKFLIZ-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95892;MM95892;CNCCC=C(C)C;YHNOIHJYAUPQQY-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95893;MM95893;CC=NOC(=O)C(C)CO;JUOPMTWNRGCQQY-UHFFFAOYSA-N;145.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95894;MM95894;C=NN(C)C(C#CC)=NO;GRRVOFQNLDHMKC-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95895;MM95895;C#CC(O)C(C#CC)=NN;FDPAVCITEBJSTD-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95896;MM95896;C#CC(O)C(C#CC)=NO;HYPUCPZOIHWCGI-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95897;MM95897;CCNC(=NN)C(=N)N;PPYBZWLMKBKDPI-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95898;MM95898;C=CNC=NCCC(C)=O;DXECXRSWBCABMN-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95899;MM95899;CC#CC(=CN)C(=O)NC;GBNPANHLVQNIMQ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95900;MM95900;C=CC(=NNC)C(=O)NC;VDICEXOYCUIHSY-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95901;MM95901;CNN=CN(C)C(=O)NC;HTCOXRHVKPYHDW-UHFFFAOYSA-N;144.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95902;MM95902;CC#CC(=NN)C(=O)NN;YTIWSCRUBUPFHR-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95903;MM95903;CC#CC(=NN)C(=O)NO;BMMSCIHZHSWNLC-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95904;MM95904;CC#CC(=NO)C(=O)NC;UZNBPEDBNGIJRE-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95905;MM95905;CC#CC(=NO)C(=O)NN;BISSAOJUDXVLLI-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95906;MM95906;CC#CC(=NO)C(=O)NO;DZKNSFMLZHKBPE-UHFFFAOYSA-N;142.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95907;MM95907;CC#CC(=NO)C(=O)C=O;GFHRUWKQKSNOFK-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95908;MM95908;C=CC(C#CC#N)C(=N)N;UIXPQAPOEKEBDJ-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95909;MM95909;C#CCONC(=NC)NC;SGGVLGNAPVGVGC-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95910;MM95910;C=CCC(N)=CC(=N)NN;WGEHQNMPWSDHHK-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95911;MM95911;CCCON(C)C(=N)N;USJIIIPHNGFBPN-UHFFFAOYSA-N;131.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95912;MM95912;CNCCC=C(C)F;NQJPYRARZKOWRL-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95913;MM95913;C=CC(=NNCC)C(N)=O;WWQNZKBTOWPAKI-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95914;MM95914;COCC(=NO)C(C)=NO;SWEFGWJYZVUQDQ-UHFFFAOYSA-N;146.15;0.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1";;;;;;;-0.39;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95915;MM95915;C=C(CCN)CCN;NDRZWLPLLRDDNO-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95916;MM95916;CON=CC(F)CCO;VJEBRICUQNJLLG-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95917;MM95917;C=CCNN=COC=NN;DPSZNYZDPJSPSU-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95918;MM95918;CC=NOC(=NNC)OC;NWYIYBWUTMYSGM-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95919;MM95919;CNC(=N)NC(C)=NO;LYEQSAPDALTMBS-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95920;MM95920;CCCNC(=N)NC=NO;MUVXGEKFKFSKSC-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95921;MM95921;CNC(=NOC)C(C)=NO;CMAATEWUKFASEK-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95922;MM95922;C=CCC(=C)N(O)C(=N)N;GJUVUXHZYCULAD-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95923;MM95923;CCOC(=NN)C(C)=NO;AIFQSJJQJBIGTQ-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95924;MM95924;N#CCC(=NO)C(F)=CN;LTEPNKVPWSQNRK-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda";;;;;;;0.43;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95925;MM95925;CC=C(C)C(=NN)NC=O;PETOPBINBGVNKU-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95926;MM95926;CC=C(C)C(=NO)NC=O;SMSKSGHYZYIXDZ-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95927;MM95927;CC(=CF)C(=NO)NC=O;KBGGGINQSZSUGI-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95928;MM95928;C#CCCNN=COC=C;QQYADOHMINJWRF-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95929;MM95929;CCCC(=NN)OC=NN;ZIFBPGBFAZPLHM-UHFFFAOYSA-N;144.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95930;MM95930;C=NNC(=NC)C(C)=NO;VTCCTBRPIUDCHP-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95931;MM95931;CC(C)(C)N(O)C(=N)N;LLLQJZJMAPVGHL-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95932;MM95932;C=NOC(=NO)C(C)=CN;VMGYWXXEQGEQMR-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95933;MM95933;C#CCC(=NO)C(C)=NN;JNRZZMDKVCEYDK-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95934;MM95934;CNC(=N)NC(CO)=NN;CXOSAJITPMQQGL-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95935;MM95935;C=C(CC#N)NC(=N)CO;RYNNWBZHJNTVRB-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95936;MM95936;CC(=NO)C(C=NN)=NO;WHOTWBSZLGEPCZ-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95937;MM95937;C=CC(C)C(N)CC;HWFHUSWIKVGGSH-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95938;MM95938;C=C(N=C(N)C#N)C(C)=O;NTHMZHTXTQOSBO-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95939;MM95939;CNC(=N)C#CCN;JPZLCEIYZMCSET-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95940;MM95940;NCCC=CCCN;VKWVKRZCWUQLHV-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95941;MM95941;CC(N)(C(=N)N)C(=N)N;XPUWNWLHDODFIU-UHFFFAOYSA-N;129.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95942;MM95942;C=CC(C)(N)CCCN;LSXRCYXHIWZWKV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95943;MM95943;C#CC(F)=CNC(=N)N;TZJUKBFNAFBTLP-UHFFFAOYSA-N;127.12;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95944;MM95944;CCCC(=N)NCC#N;WPJUQZINIRYYNS-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95945;MM95945;C=CC(C)(O)CNC=NC;LJIRUNNKOUQOGC-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95946;MM95946;COC=C(CO)C(C)CO;BOQLLTYMIPARDP-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95947;MM95947;C=CCC(=C)NC(=N)NO;PHHBYERDQGSLSZ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95948;MM95948;CCC(O)C(=COC)CO;SCEYQNDOZVPXNL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95949;MM95949;N=C(N)NO;WFBHRSAKANVBKH-UHFFFAOYSA-N;75.07;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95950;MM95950;COC=C(CO)C(C)OC;WXHDZOVZOYZJFM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95951;MM95951;N=C(NN)NN=C(N)N;QYKSSZZQHKWKDT-UHFFFAOYSA-N;131.14;-2.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95952;MM95952;C#CC(=N)NCCC(C)O;KOMSQIKUFKXJBK-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95953;MM95953;CC(=CCCN)CCN;JSLSTIMVTUOCEC-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95954;MM95954;CNCCC(N)C(C)C;ATVVWLGJKTUHJO-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95955;MM95955;CN=CNCC(F)CF;WXDMONAREWZALC-UHFFFAOYSA-N;136.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95956;MM95956;CNCCC=C(C)CF;OTJXARGKOXLSTD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95957;MM95957;COC(=CCO)C(C)OC;KLRFIYHYOCKLNE-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95958;MM95958;CNC(=NN)NN;NVCUJPKMKVGULT-UHFFFAOYSA-N;103.13;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95959;MM95959;CNCCC=C(F)CN;CSBZOQBVRBZCFS-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95960;MM95960;C=CCC(=N)N(N)CC;YEWRBUTUCOCWFZ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95961;MM95961;C#CC(CCN)CCN;CVJZDHTXDJGUHW-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95962;MM95962;CC=C(CCN)CCN;QYCXQRWMGOPINQ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95963;MM95963;CNCCC=CCC#N;MJAKJGZOZMCVBY-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95964;MM95964;CNCCC=COC=O;MQZSGIXYTHFJEH-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95965;MM95965;C=NNCC(F)(F)F;KKROGABMHJNEBX-UHFFFAOYSA-N;126.08;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95966;MM95966;CCNC(=NN)NN;OWDBZPLEMLMPEH-UHFFFAOYSA-N;117.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95967;MM95967;CCCNC(=NN)NN;SQNLGHGHAYCNTC-UHFFFAOYSA-N;131.18;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95968;MM95968;CNCCC=CC=NN;VQQHCEUWYAAMTK-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95969;MM95969;CC(C)CC(C)(N)CCN;RRNPWQIQTSPLPQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95970;MM95970;CC(N)CCC(C)(N)CF;FKABFDULTSGJEB-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95971;MM95971;CC(N)(CCN)CCCF;FUEGAXWNOYZFFO-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95972;MM95972;C=C(CCNC)CN(C)C;FNYHTQBVABZCCJ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95973;MM95973;CCN(O)C(CF)=NOC;VXLBGPVNNDXSPL-UHFFFAOYSA-N;150.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95974;MM95974;CNCC=C(C)CC(C)N;CVKTUIOZHVRDRN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95975;MM95975;C=CC(C)(N)C(C)CNC;CKKZQQNKNXCNQE-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95976;MM95976;CON=CNOC(C)=O;NUYRPVFKUMTWTM-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95977;MM95977;C#CC(C(=C)C=O)C(=N)N;PVRUXAMKQDOYRO-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95978;MM95978;C#CCN(N)C(=NC)NN;CIXGQNCMKAXTFJ-UHFFFAOYSA-N;141.18;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95979;MM95979;CC(=O)NN(C)C;SLIKWWJXVUHCPJ-UHFFFAOYSA-N;102.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95980;MM95980;CCC(C)(CCN)C(C)N;WESLUAOOPWFTLQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95981;MM95981;CN(N)C(=N)C=CN;ASMHXNYFDQHRMB-UHFFFAOYSA-N;114.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95982;MM95982;C#CCN(C=NC)C(=N)N;DQIYPHXBZJPCIM-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95983;MM95983;C=C(C)C(O)C(C#N)=CN;BGLVVZXNNKBUCE-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95984;MM95984;CC(C)C(N)C(C)C(C)N;GJUIDBJRWDCJAF-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95985;MM95985;C=C(C)CNNC(C)=NC;ILLUOKOZAWILCO-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95986;MM95986;CC(=N)N(C)NC=CC#N;XGZSLOUFJOOBRH-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95987;MM95987;CCC(=CC#N)C(O)CO;APGYIVLOCVQUJI-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95988;MM95988;CCC(O)C(=CC=O)CO;DOURJPNMJUXNBU-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95989;MM95989;CCC(O)C(=CC#N)CO;JARKYQOMAOZEJQ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95990;MM95990;COC(C)C(=CC=O)CO;KCFVJVKYVPTTJJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95991;MM95991;CNC(=CC=O)C(C)CO;BLWZLCOUJOGPDB-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95992;MM95992;CCC(O)C(=CC=O)NC;ZAYYLUWADISHHY-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95993;MM95993;CC=NN(C)C(=O)CO;FBPZVVBEJOLDPD-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95994;MM95994;COC(=CC#N)C(O)CO;YEPZGSOMKZBZIA-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95995;MM95995;COC(=CC#N)C(C)OC;JYNUFGKBPJVZRW-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95996;MM95996;CN=C(C#N)NO;YAFSVWJVTPVVTQ-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95997;MM95997;C=C(CC)N=C(C=O)NO;KZMPXWMHQOYERE-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95998;MM95998;C=COC=NNC(C)CO;AAGOHJYPOHALGK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM95999;MM95999;C#CC(CC)ONC(=N)N;HPIDXSMQAISJGA-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96000;MM96000;C=NNC(=NO)C(O)CC;YZSLWGUVDXZMTM-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96001;MM96001;COC(=CC#N)NC(=N)N;IZSICJVMMWPDNF-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96002;MM96002;C=CCON(C)C(=N)N;ODFRRNAYDHCPKQ-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96003;MM96003;C=NN=C(OC)C(O)CO;PCGSZRVPOMKHHX-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96004;MM96004;C#CC(=CC(=N)N)OC=C;UXJREBDWZYVCPO-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96005;MM96005;CCC(=NC=O)N(O)CC;OKPQHRCIWSACDZ-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96006;MM96006;CC(CCN)=C(C)CCN;RXCSYCCLVGDXGC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96007;MM96007;CN(C)C(=N)N(C=N)C=N;ZQRACNAMSOAKFT-UHFFFAOYSA-N;141.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96008;MM96008;OCCCC=NN=CNO;ZJKCZCBPALRLTH-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96009;MM96009;CC=NN=CNO;BNIBGUAHNXNSPV-UHFFFAOYSA-N;101.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96010;MM96010;NC=CC=NN=CNO;VATIKRZYJYBRTF-UHFFFAOYSA-N;128.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96011;MM96011;CC(C)NC(=N)NC=NO;GWOVDLNZAZHCKI-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96012;MM96012;N=C(N)C(O)C(=N)N;SYFBQJLROCMGMM-UHFFFAOYSA-N;116.12;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96013;MM96013;CN(C)N(C)C(=O)CF;RRMINIVOXKHRRV-UHFFFAOYSA-N;134.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96014;MM96014;C=CN(O)C(=N)N;MSTLSGBTNNMLND-UHFFFAOYSA-N;101.11;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96015;MM96015;C=CNC(=N)N(O)C(C)C;UPCIVOYABWOEKM-UHFFFAOYSA-N;143.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96016;MM96016;C=NN=CN(C=NN)OC;GWVMPXMAWWYVCQ-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96017;MM96017;C=C(CCC)NC(=N)NO;JDSLHPOZCPSWDS-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96018;MM96018;C=C(COC)OC=NNC;GLSKZCGFKQRWHS-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96019;MM96019;CC(N)C(C)C(=CF)CN;PVXIDFAABOPLHB-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96020;MM96020;C=C(F)C(CCN)CNC;ZJNBNBJJORIXHU-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96021;MM96021;CC(C)=C(CCN)CCN;YWPVEYOEXAAWNY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96022;MM96022;CCC(N)CCC(F)CN;TUESEUNIPRWTGE-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96023;MM96023;CCC(N)CC(=CF)CN;GRUOIKSWYNYONN-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96024;MM96024;CCC(=CCO)C(O)C#N;IXQNEOBUGYZUME-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96025;MM96025;CCC=C(CO)C(O)C=O;LCOFEALVHQYPPN-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96026;MM96026;CCC=C(CO)C(O)C#N;BDSCWLIWUMAKGN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96027;MM96027;C=CC(O)C(=CCO)CF;OIAWRHPJRZNBJG-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96028;MM96028;CC=NOC(CF)=NN;XONPHOBKCBDIPP-UHFFFAOYSA-N;133.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96029;MM96029;C=CC(F)C(=CCO)CO;XWEOSVUDOPHRNX-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96030;MM96030;COC=C(CO)C(C)C#N;KMLRTLQDVLVXEK-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96031;MM96031;CCC(=COC)C(O)C=O;OHPDAOBPUFQQPC-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96032;MM96032;C=CC(O)C(=COC)CO;UHUAYPMULHHUJF-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96033;MM96033;COC=C(CO)C(F)C#N;PTMHMZSSJPQOGY-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96034;MM96034;COC(=CCO)C(C)C#N;CRAHFFWFPFDYFQ-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96035;MM96035;C#CCCON=CCF;PVTDGBHDXOOEFK-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96036;MM96036;C=CC(O)C(=CCO)OC;YNHTYJJLBQDDIJ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96037;MM96037;COC=C(OC)C(O)C#N;PLJDXWVTCOROBF-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96038;MM96038;CCC(=NNC)C(O)C#N;NIYOGKAKVVGTQJ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96039;MM96039;CNN=C(CO)C(O)C#N;SEBCNHZXQNSFHH-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96040;MM96040;C=COCON=CCC#N;MECLXYAADVKVAM-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96041;MM96041;CC(O)(CF)C(C#N)=CN;UTUHNPQZTOIKBZ-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96042;MM96042;C=C(OC=NNC)C(C)O;KRANNOXISUADKK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96043;MM96043;CON=C(CO)C(O)C#N;XPEXRILDOPNPOT-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96044;MM96044;CC=CC(C)NC(=N)NO;KSFKSPBOYBTHHI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96045;MM96045;CNN=C(OC)C(O)C#N;FYRXGGBPBXPJBJ-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96046;MM96046;C=C(C=CNC=NC)CO;RSFOEDFQUMTXGX-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96047;MM96047;CNN=C(OC)C(F)C=O;DXZCZDZCZQTUFS-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96048;MM96048;CNN=C(OC)C(F)C#N;OTMSGNPSOWCFST-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96049;MM96049;C#CC(=NOC)N(O)CC;WDQQLCXNCMFIRW-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96050;MM96050;CNCCC(F)CCCN;BWJOAAMPQVRQRZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96051;MM96051;C=CC(O)C(=NOC)OC;JYCFRSVCVFHFEW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02747;MM02747;CON=C(OC)C(F)C#N;YZXZVGVOWFWEIL-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96052;MM96052;NN=COC(CO)CF;WMBDIBOXLIRVOJ-UHFFFAOYSA-N;136.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96053;MM96053;CC(CN)C(F)CCCN;ZPXSBTUOHHFPFW-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96054;MM96054;CC#CCNC(=N)CCO;WXSRXFGWXMPMDX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96055;MM96055;CCCNC(C)C(N)CC;KHWOZAZISBLZJG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96056;MM96056;C#CCN(C)C(=NN)NC;OZVBNQMJMHEWOC-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96057;MM96057;CNC(=NN)C(=N)N;FNYFSTTXUMKDKM-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96058;MM96058;C#CC(=N)N(C=C)C(=N)N;AFPKZJKNRPOHAX-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96059;MM96059;CNN=C(CO)N(C)C=O;ZBZJZVWGPMOLPV-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96060;MM96060;CN=C(NC=CF)N(C)N;IDTINGXXBKTCMJ-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96061;MM96061;C#CC(=N)N(C=N)C(N)=O;XYIQUNXRQJVDRC-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96062;MM96062;C#CC=NNC(=N)C(N)=O;FOCGYCFMXZDNEJ-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96063;MM96063;C#CCN=C(N)NC=N;LALBFGFJXSOKLU-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96064;MM96064;C=CC(F)C(=NNC)NO;SOHWFCCOFUGMSN-UHFFFAOYSA-N;147.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96065;MM96065;CCC(N)=C(C)C(=N)NN;YZLGEZKLIMDNIP-UHFFFAOYSA-N;142.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96066;MM96066;CON(C)C(=N)N;JXAJPDBQDRDCAV-UHFFFAOYSA-N;103.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96067;MM96067;CC(C)(N)C=NO;UJWQUEDSYBHIJV-UHFFFAOYSA-N;102.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96068;MM96068;CNCCC=CC(=O)OC;OEKHTDLOSKIUNU-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96069;MM96069;CC(N)C=COC=NO;CVYACZCGZKRXCV-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96070;MM96070;C=CN(O)C(CF)=NOC;VVBWOVPHOALWNB-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96071;MM96071;C=C(C=NOC(C)=O)CO;MWMKTUGBXVKDQA-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96072;MM96072;CCNCC#CC(=N)NC;IMAFUWJSHXCVQJ-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96073;MM96073;C=CC(C)C(CN)CNC;LFIBFAYAKNCRGG-UHFFFAOYSA-N;142.25;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96074;MM96074;CC(=COC=NO)C(C)N;RMZAUWHSYSXCKL-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96075;MM96075;CCC(N)C=COC=NO;ODKDXZGVSCCDLK-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96076;MM96076;CC(N)CC(C=NO)CF;IXJZOMIXXUAICN-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96077;MM96077;CC(N)CC(F)CC=NO;SASJXLDLXBCTJC-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96078;MM96078;OCCC=NN=CNO;NQUGYROPMFPNEI-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96079;MM96079;CC(=O)CC=NN=CNO;CWPKCYPZWALSTM-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96080;MM96080;C#CC(C#N)CCCNC;NVHYLXWGGDNVKW-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96081;MM96081;CC(O)(C(=N)N)C(=N)N;WPWNFZGPWSSLOJ-UHFFFAOYSA-N;130.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4";;;;;;;-1.62;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96082;MM96082;C=CNC(=N)C(O)C(=C)C;LTQWIAJRXGNEJK-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96083;MM96083;CNN=C(NN)N(O)C=O;WNZJIQZNAAMNGB-UHFFFAOYSA-N;147.14;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96084;MM96084;C=CN(C(=N)CO)C(C)C;AOBVNXFCJOWXFF-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96085;MM96085;C=C(C)N(CC)C(=N)CO;PAKHQHFWEZOBQG-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96086;MM96086;CC(C=NN=CNO)CF;PXCKHOZUVRUQDR-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96087;MM96087;COCCC=NN=CNO;YNQIYQCOGWEMEO-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96088;MM96088;C=CC(O)C=CNC=NC;JTRDERFNUSMAKI-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96089;MM96089;C=NN(C)C(=O)C(C)F;XXKXVZZONOEVQG-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96090;MM96090;CC(C#N)(C=O)NCC=O;BPYHKBNMJGQHQU-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96091;MM96091;C=CNC(=N)NO;ZWDHAWRGMVSAAI-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96092;MM96092;CC=C(CCN)C(C)CN;IQIJIMXBZZRRQW-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96093;MM96093;CON=CN(C)OC=NN;JZBHQTOCDWRDAB-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96094;MM96094;COC=COC=NN;KDRTVRWGCOAMOM-UHFFFAOYSA-N;116.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96095;MM96095;CN=C(NC)NO;BUMGAPSYYSJMIW-UHFFFAOYSA-N;103.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96096;MM96096;C=CCNC(=N)NO;KNDLXGCEPXCROS-UHFFFAOYSA-N;115.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96097;MM96097;C=C(C(C)=O)C(C#N)=CN;MPDZJBGLXQOLPU-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96098;MM96098;C#CC(CCCN)CNC;WMTQCLUWSGKKII-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96099;MM96099;C=C(C=O)NC(C=O)=NC;XQGPNUYPDPNONS-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96100;MM96100;CN(C)C(=NC(=N)N)NO;WNOQSWKICKDROO-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96101;MM96101;C#CCNN=CC#CC=O;VDJKVNPCFQKLOX-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96102;MM96102;C#CCCC(=O)NN(C)C;SXQDSJXNUGUSQU-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96103;MM96103;CON=C(OC)N(C)C=O;AKDLRABTVMIJLL-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96104;MM96104;COCC=C(CF)NC=N;HOFPFXZJMPJJIF-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96105;MM96105;C#CC(C)NC(=O)ON=C;KLNKKFQOECEDHT-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96106;MM96106;C=C(C)CN(C)NC(C)=O;WGXQWFUBDYHAAX-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96107;MM96107;CCC(CN)C(CN)CF;OEADXQHRIKLDBT-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96108;MM96108;CC(C#N)C(=CC=O)CO;GEOOAUBVXXLCMI-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96109;MM96109;CC(C#N)C(=CC#N)CO;MZIMPASXQCZWSZ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96110;MM96110;N#CC=C(CO)C(O)C=O;NSQZSWFMKDVYPC-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96111;MM96111;N#CC(O)C(=CC=O)CO;IWGHVQOQTWOYFA-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96112;MM96112;N#CC=C(CO)C(O)C#N;JRLWJPBOAVYOHB-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96113;MM96113;C#CC(C#N)=CCCNC;LORQVWCUAQNPJJ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96114;MM96114;CNC(=CC#N)C(O)C#N;WSIRUZHIKJTFAY-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96115;MM96115;CNC(=CC#N)C(F)C=O;OYKXRTUETZPNMZ-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96116;MM96116;C=CC=C(OC)C(O)C#N;DBEFUGFVRVCXNC-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96117;MM96117;COC(=CC#N)C(O)C=O;DZYFRYCNVQQPBQ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96118;MM96118;C=NN=C(CO)C(C)C=O;ZLRJSEYZMHHEDC-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96119;MM96119;C=NN=C(CO)C(C)C#N;NPLWJWOEYPYTCI-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96120;MM96120;CN=CN(C)C(C)CO;HEBHKZWHUHOGPQ-UHFFFAOYSA-N;130.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96121;MM96121;C=NN=C(CC)C(O)C=O;PQQZOIRESFTUCZ-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15486;MM15486;C=NN=C(CC)C(O)C#N;OGBZTVQHSFNWJY-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96122;MM96122;C=C(CN=CN)CC(C)=O;IWFQFKKZNGMRNM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96123;MM96123;C=CC(O)C(CO)=NN=C;RCJZBGCZXZZZAS-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96124;MM96124;C=NN=C(CF)C(O)C#N;ZLQGSGGDKWFPHS-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96125;MM96125;C=NN=C(CO)C(F)C=O;XTKPHDAVPCFICA-UHFFFAOYSA-N;146.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96126;MM96126;C=NN=C(OC)C(O)C=O;WDCJSWUTDCFVJR-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96127;MM96127;C=NN=C(OC)C(O)C#N;JJBBLUIBKWVNMV-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96128;MM96128;CC(CCN)C(CN)CF;WEDWHDADVKROFB-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96129;MM96129;CCN(C)C=NCCO;NHONGDFXJWONGU-UHFFFAOYSA-N;130.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96130;MM96130;CN(C=O)C(=CC=O)CO;TVNHMIVMOJCKQM-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96131;MM96131;CN(C=O)C(=CC#N)CO;INTVPKBQKBOMRA-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96132;MM96132;CN=C(C)NCC(=O)CF;UQUODJVERWLUAM-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96133;MM96133;C=C(CCO)CC(C)NC;YWBCXRYSDMBRRY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96134;MM96134;CC(F)(F)CNC=N;QBQLHUTUDAQAHY-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96135;MM96135;CCC(C)(N)CCN;SPNRSOLIPWFATP-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96136;MM96136;CNC(=CC=O)N(C)C=O;MSLDTHSZHGVJNI-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96137;MM96137;CCC(C)NC(=NN)NN;INKNZRXKYCDPIL-UHFFFAOYSA-N;145.21;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96138;MM96138;C=CCCC(=O)NN(C)C;WWJVGYPMFXIKOT-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96139;MM96139;CNC(=CC#N)N(O)C=O;XDUZKAIZHCDKMA-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96140;MM96140;C=CC(=C)CCNC;WRJLJAINTJDAIG-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96141;MM96141;CCCC(C)(N)CCN;BWVXSUHAWILBTN-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96142;MM96142;CCC(F)(F)CNC=N;OLEBXLULQAOBLR-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96143;MM96143;COC(=CC#N)N(C)C=O;AKNZVVNRNWYBCF-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96144;MM96144;C=CC(=NN)OCC(=N)N;JAYHZCSEQXBJAD-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96145;MM96145;CCC(C)(NC)C(C)N;MOJNGPWMCBKDQE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96146;MM96146;C#CC(=O)OCC(=N)N;QHRDPZVKTZYIMG-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96147;MM96147;CN=C(C)NNC(C)C;WYNRNBNGXYFLTD-UHFFFAOYSA-N;129.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96148;MM96148;C=C(C)N=CNCCN;DBCXOTNMRHGBGY-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96149;MM96149;CC(C=O)OCCN=CN;LWCBGXAZTJZYRZ-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96150;MM96150;C=NNC=CC=NCCN;OLKBSCQZDSGWBP-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96151;MM96151;CC(C)C(=O)NN(C)C;ZWHBPXYBWWPXGZ-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96152;MM96152;CN(C=O)C(CO)=NC=O;WVSLMYFFOPZKJB-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96153;MM96153;N#CCCC#CC(=N)N;SNWPLIDOBZLLOS-UHFFFAOYSA-N;121.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96154;MM96154;CN(C=NC=O)C(=N)N;RFKQKOJPRUKZKL-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96155;MM96155;C#CC(N)C(C)C=NO;UEKSWWLEZVXZOJ-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96156;MM96156;CC(C#N)C(C#N)C(=N)N;UJFVPAAFKKXYJO-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96157;MM96157;C=C(CCN)CCCN;BKRNHUGGIYXLGP-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96158;MM96158;C=C(C=CF)CCNC;WRYMVJCVGBFPNS-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96159;MM96159;C=NN=C(CO)N(C)C=O;WPCHEPDHOXAKLO-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96160;MM96160;C=C(C=NN)CCNC;LPRRFEQAZXTATO-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96161;MM96161;C=C(CN)C(C)C(C)N;VQPVCLHIPQNMJD-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96162;MM96162;C=CC(F)=C(C)C(=N)N;QTXHWCFOKROLLL-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96163;MM96163;CCCC(=O)NN(C)C;QXHMBLFUTGDEJP-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96164;MM96164;C=C(C)N(O)C(=N)N;NSXSEUSVHAEWND-UHFFFAOYSA-N;115.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96165;MM96165;C=CNC(=N)N(O)C=C;UZPCOAVCEJIANN-UHFFFAOYSA-N;127.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96166;MM96166;C=CN(O)C(=NC)NC;MJKDYNNNILVVHL-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96167;MM96167;CNCCCC(F)C(C)O;NAXGKLSYKCCKML-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96168;MM96168;CC(C)=C(C)NC(=N)CO;YAZTWQIPSLMXGD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96169;MM96169;CN(O)C(C#N)=NC(=N)N;FMXWLXSODCCAHC-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96170;MM96170;C=C(C)NC(=N)NO;RFHURNNACVGULS-UHFFFAOYSA-N;115.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96171;MM96171;CCNC(=NC)NO;PQWYNDMGRMPFON-UHFFFAOYSA-N;117.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96172;MM96172;C=C(C)CNC(=N)NO;GXNCWUFTZUUBFK-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96173;MM96173;C#CC=NOCC(O)CF;MALONKSZBCMTIY-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96174;MM96174;NNC(=NC=O)N(O)C=O;VWSHFRYAWJUUMX-UHFFFAOYSA-N;146.11;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96175;MM96175;C=CNC(=O)C(C=C)=NN;LSJLQUDLSZKMGA-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96176;MM96176;C=NOC(=O)C=CNC=O;NFNJSBZTANSAJP-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96177;MM96177;CCCNC(=NC)NO;PNHNCLFIYSMXAV-UHFFFAOYSA-N;131.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96178;MM96178;CCCN=C(NC)NO;PNHNCLFIYSMXAV-UHFFFAOYSA-N;131.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96179;MM96179;CN(N)C(=N)C(C)(C)CO;HHQXCLBCRXWCRS-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96180;MM96180;CNCCCC(CO)CF;KBAKPIKGROUBSF-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96181;MM96181;OCCCN=CC=CNO;VKKSDQJCNHDDBT-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96182;MM96182;CCN=C(N)C(C)C=O;DCIVEYHZVGKAPF-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96183;MM96183;N#CC(F)(C#N)CNC=N;KWJUZCQWMDCCBZ-UHFFFAOYSA-N;140.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96184;MM96184;CC(C)(C)NC(=NN)NN;HLPUEYXACAEZHP-UHFFFAOYSA-N;145.21;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96185;MM96185;CCOCON=C(C)CO;FLHNYXGLBWMCGN-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96186;MM96186;C#CCNC(=NN)N(C)C;XBLMPDBLLDEAIC-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96187;MM96187;C=CNC(=N)CC#CC#N;CWIMKFWIIPRQRZ-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96188;MM96188;N=C(N)COC=NN;CUEQXBQRUQGOBI-UHFFFAOYSA-N;116.12;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96189;MM96189;CC(=N)NNC(N)=CC#N;OHTHUHZWXWSVTI-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96190;MM96190;C=C(C)C(=C)CCNC;CUFLNDXJQJBAFX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96191;MM96191;C=C(F)C(=C)CCNC;INUJMQGIDDBGPB-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96192;MM96192;C=C(C=O)CCCNC;LFJKFAQICZMBEF-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96193;MM96193;CCN=CNC(C)CN;IQFZUVSSEDSUET-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96194;MM96194;CC(C=CCCN)CN;BTBWGPIKAFBKJU-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96195;MM96195;C=C(CCN)C(C)CN;UQZHHEAEFNITDW-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96196;MM96196;CCCN(OC)C(=N)N;SHVYWPPXMYGUOX-UHFFFAOYSA-N;131.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96197;MM96197;C=CN(O)C(=NC=O)OC;NCLUOTWFLDZISA-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96198;MM96198;CC=CC(CN)CCN;NRLUFKTVFVPMIR-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96199;MM96199;C=NN=C(OC)N(C)C=O;GGUJXPAQKSBPRI-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96200;MM96200;NCCC(C=CF)CN;OREJSTWLACJZOA-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96201;MM96201;C=C(C)C(CN)CCN;QWMYHRCYIUPLGK-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96202;MM96202;CC(CN)C(CN)CF;HUZVGBLTHDYWBU-UHFFFAOYSA-N;134.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96203;MM96203;NCCCC(CN)CF;JNXUCYNIGVFDOR-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96204;MM96204;CC(C)CONC(=N)N;PYBDVVFJVRXQKW-UHFFFAOYSA-N;131.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96205;MM96205;CCC(C)ON(C)C(=N)N;PDYORQAWVNOVRE-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96206;MM96206;C#CC=C(CO)C(O)C#N;DFCWFALNNCLALK-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96207;MM96207;C#CC=C(OC)C(O)C=O;GTDXYIAXGQWSTM-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96208;MM96208;C#CC=C(OC)C(O)C#N;HPGRIDQPPRASCU-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96209;MM96209;C#CCN(N=C)C(=O)NC;QYYBWBOQIODHIP-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96210;MM96210;C#CC=C(CO)N(C)C=O;GPQRCUKVWAMCEC-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96211;MM96211;CNN=CC(C)(N)C(=N)N;SPDWIHAZVXUXEE-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96212;MM96212;NC(=O)N(N)C=NC=O;JNYCKUDXOZYXRY-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96213;MM96213;C=CC(=CF)CCNC;UUEVXSPFBOVXOJ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5";;;;;;;1.21;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96214;MM96214;C#CC=C(OC)N(C)C=O;SIKLOHCZZVLSFW-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96215;MM96215;C#CC(=CNC=N)CF;MTECMRZDVIYXBI-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96216;MM96216;CN(C)CCC#CC(=N)N;WYJJXVSXCAINAC-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96217;MM96217;CCC(N)C(C)=NO;SMAQUKSRULKIOT-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96218;MM96218;C#CC=C(OC)N(O)C=O;BNTUXGCMEGPTIF-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96219;MM96219;CC(N)C(C)CC(N)CF;CMHWTXFPAXPSOP-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96220;MM96220;C=CC(O)C(=NC)N(C)C;KFAOHZKEEAHZOO-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96221;MM96221;C#CC(C)C(=CCO)CO;OJHKHAOOWHUSFJ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96222;MM96222;C#CC(N)CC(C)C(C)N;YLZRNHZJOBXZMT-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96223;MM96223;C#CC(O)C(=COC)CO;BOBUCBBKEFKECM-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96224;MM96224;C#CC(=O)OC(C)C(=N)N;WELHFOLEYUKFGO-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96225;MM96225;C#CC(F)C(=COC)CO;GZXZMTMNSQDEKO-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96226;MM96226;C=C(CC)N(O)C(=N)N;LCXSKELWHAZLNE-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96227;MM96227;C#CC(O)C(=COC)OC;XAAKDSRQEKRCIM-UHFFFAOYSA-N;142.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96228;MM96228;CN=C(CC(=O)NC)NC;VSZDKSLVQSWBSZ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96229;MM96229;CNC(=N)NC(=NN)NO;WBRPPQGADAMTAY-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96230;MM96230;C#CC(O)C(CC)=NOC;YTCICFUUCPNHCW-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96231;MM96231;C=C(CC)NC(=N)NO;HXANVUHUODBAOK-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96232;MM96232;CC(N)CCC(F)=CCN;FOJYCCWQRHVFHQ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96233;MM96233;CCN=C(NO)NCC;CVSKSBRXKRDLFV-UHFFFAOYSA-N;131.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96234;MM96234;C#CC(O)C(=CC=C)CO;SXYRMKBJHWFOLB-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96235;MM96235;C#CC(O)C(=CC#N)CO;ZEFUEFQBMILIME-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96236;MM96236;C#CC(O)C(=CC#N)CF;BWLLSWGREDWOKP-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96237;MM96237;C#CC(O)C(=CC#N)NC;QGRYAIBPZVQJIX-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96238;MM96238;C#CC(O)C(=CC#N)OC;DUITWIQNOHIBOM-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96239;MM96239;CC(N)C(C)CC(N)CO;UBVYBPSXVNZZEM-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96240;MM96240;CC(N)C#CC(=N)N(C)C;KKCVEZQEVYMCMJ-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96241;MM96241;C#CC(O)C(=NN=C)OC;QTERFMZNXABUTL-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96242;MM96242;CN=C(C)NNCC(C)F;FGDDUJDZEZQXCX-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96243;MM96243;C#CC(=O)C(=NC)NO;VYFYMOKVBOLVOS-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96244;MM96244;CC(CN)CC(F)CCN;GLTMDSJGBWXYGT-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96245;MM96245;C#CC=C(OC)C(O)C#C;BHFHLZUEUHDMRN-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96246;MM96246;C=C(CN)CC(N)CCC;GYIFXHQPVBNQTA-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96247;MM96247;CC(=CC(C)CN)CCN;KAJBSDFQHDARJB-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96248;MM96248;CCC(O)C(C#N)=CCO;OQIUPVUXQNGJLQ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96249;MM96249;CCC=C(C#N)C(O)CO;SXBKDCBLWXGRGX-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96250;MM96250;N#CC(=CCO)C(F)CO;RQUHMTJJSJVISO-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96251;MM96251;C=CC(=COC)C(O)CO;OEGKVGJYFFPMLA-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96252;MM96252;COC=C(C#N)C(O)CF;AAJDZAHMRYNPSS-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96253;MM96253;CC(C)=CC(CN)CCN;YXYGULWQMAYYHO-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96254;MM96254;CC(F)=CC(CN)CCN;YQJHAIPJRSVSRN-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96255;MM96255;C#CC=NOCC=O;AFUBOSIFEKMZMB-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96256;MM96256;N=C(N)C#CCCC=NN;FIGINHBTURCURH-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96257;MM96257;COC(C)C(C=O)=CCO;KOFKYWSZBJFSDV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96258;MM96258;CC(=N)C(C=O)=C(C)NO;UJMSZIQZVHOHRO-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96259;MM96259;CN=CC(=CNO)COC;LFIGSDQQJODQEU-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96260;MM96260;CCNCCC(F)CCN;SOJHPORYDADZST-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96261;MM96261;C=NOC(CC#N)=NOC;IGOWKVDWZKQCQE-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96262;MM96262;CCC(O)C(C#N)=NNC;QBYLOJYTEHDPRG-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96263;MM96263;CNN=C(C=O)C(O)CO;TWLKTXAWZUJBJY-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3";;;;;;;-1.53;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96264;MM96264;CNCCCC(N)=CC=O;XDDPICGXSGNXFF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96265;MM96265;CNN=C(C#N)NC(C)C;OMUHFOBGGOEDAR-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96266;MM96266;CCC(O)C(C=O)=NOC;ULKSPYYKJHHITH-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96267;MM96267;CCC(O)C(C#N)=NOC;NXCCNKRWHGOKNA-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96268;MM96268;C#CCC(N)C(C)CCN;AJMPRZQNPPKZIJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96269;MM96269;CON=C(C=O)C(F)CO;LRRHSIYKYYMZPH-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96270;MM96270;C=C(CCN)C(C)CCN;HHJHLAJJWWRCDT-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96271;MM96271;CCN=C(N)CC=O;CQBZLHAYFZXHQW-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96272;MM96272;CC=C(CN)C(C)C(C)N;ZJAPXMLHXGLLHF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96273;MM96273;CN=C(CN)N(C)C(C)C;LUCSBOXTCNIQQD-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96274;MM96274;CC(=CCN)C(C)C(C)N;LTLKNACJYKQOSD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96275;MM96275;CN=CNN=C(NC)NC;AUQFPRNSGUGVBF-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96276;MM96276;CCC(N)(CC)C(C)NC;YMHMGIMIKMBUMN-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96277;MM96277;CCN(O)C(C#N)=NOC;KZMKGHHENNXHBK-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96278;MM96278;CCC(N)CCC(N)CF;ZTFQEZPYTVEHBW-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96279;MM96279;C=CC(N)CC(CC)NC;FKAIJTQVCMBJKH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96280;MM96280;CN=CNC(=NC)NN;QFWPNUOTUFNRNH-UHFFFAOYSA-N;129.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96281;MM96281;CNN=CN=C(N)C=O;GIRWSPATZOBESH-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2";;;;;;;-0.67;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96282;MM96282;CC=NOC=NOC=NO;LQSPPNMAXNIQEA-UHFFFAOYSA-N;145.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96283;MM96283;C#CC(C=CC=O)CO;FXGDWWSKNKHWHS-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96284;MM96284;OCC=CC=COCCO;ASFIVCKEKIEAHY-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96285;MM96285;CNC(=N)CCC=NN;XXIODTLPFPYMDK-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96286;MM96286;CCN(C)C(C)=N;UKKGJYDDYXFVNP-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96287;MM96287;CCN(CC)C(=N)N;PDDWJLGBNYUCQO-UHFFFAOYSA-N;115.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96288;MM96288;C=C(C#N)CCC(=N)NC;VFMGVGQBSUJASO-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96289;MM96289;C#CC(C=CC(C)=O)CO;UXKQZSZIHDZXGA-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96290;MM96290;OCC=NN=CCCCO;BKTUPAVVKPAALD-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96291;MM96291;CCC(=N)N;GNFWGDKKNWGGJY-UHFFFAOYSA-N;72.11;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96292;MM96292;CN(C)C(=N)N;SWSQBOPZIKWTGO-UHFFFAOYSA-N;87.13;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96293;MM96293;C=CCN(C)C(=N)NC;MPBBDRQZHTUYEF-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96294;MM96294;C=CCCCO;LQAVWYMTUMSFBE-UHFFFAOYSA-N;86.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96295;MM96295;CCC(CCC(=N)N)=NO;BXMMRWCAKWFWRL-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96296;MM96296;COC=NN=COCCO;POGDUTKLERKNOD-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96297;MM96297;C=C(C)CN(C)C(=N)NC;QWZDBTAJPCDPFJ-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96298;MM96298;COCOC=NN=CCO;QRWSQCRITLVXOU-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96299;MM96299;C=CNC(=N)N(C)C;HJPRUODJEAHCCG-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96300;MM96300;C=C(C=O)CCCO;OSSFUKHWZMVKJD-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96301;MM96301;C=CC(=NC(=N)N)N(C)O;WMSNLKXSDZSZSL-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96302;MM96302;CN(C)C=NC(=N)NN;KYUHQFIZWIRSKS-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96303;MM96303;C=CNC(=N)N(C)CC;ONVVPYNJPOPAPY-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96304;MM96304;CN(O)C=NC(=N)N;QQXOFTPJMOYFFI-UHFFFAOYSA-N;116.12;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96305;MM96305;C=C(CO)CCC(=N)NC;LNAZDGJGDRDKRU-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96306;MM96306;CNC(=N)C(C)CCO;VPQXLPWNHJLNIL-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96307;MM96307;C=CC(C)CC(=N)N(C)C;GSCUXABKKJWXJO-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96308;MM96308;CC(C=O)=CCCCO;NLMJRGANCUISGZ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96309;MM96309;C=C(CN)CCC(=N)NC;XKMCLNKVTIAOQQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96310;MM96310;N#CC=NN=COCCO;ZFPZKECONHQGGE-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96311;MM96311;COCOC=NN=CC=O;YXSLGDPBOURJRJ-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01876;MM01876;COCOC=NN=CC#N;GBBKFDWEAWITEX-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96312;MM96312;CNC(=N)CCC(C)O;SHFOLZVLLOHMJM-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96313;MM96313;C=CC(=CC=NO)C(=N)N;OMACYQYWHNEYNN-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96314;MM96314;CNC(=N)CC(C)C=NO;YPGCHDRXPKMAFJ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96315;MM96315;C#CC(C=C(C)C=O)CO;FBWMJBZMXMUGRU-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96316;MM96316;N#CC=C(C=O)CCCO;IQWKBFQNOCLRPV-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96317;MM96317;C=C(CO)C(C)C;OHCLSNSCCQEQTA-UHFFFAOYSA-N;100.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96318;MM96318;CNC(=N)N(C)CCCF;YJJZGNJYJJVHHO-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96319;MM96319;C#CC=NN=COCCO;YAVIRNPKEGRFCJ-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96320;MM96320;CC=C(CC)CO;ACIAHEMYLLBZOI-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96321;MM96321;CC(C=C(C#N)C=O)CO;RIWPCVQIOWUTML-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96322;MM96322;CN=C(NC)N(C)C;NCSXOMQDXHCTOY-UHFFFAOYSA-N;115.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96323;MM96323;CNC(=N)CCC=CCN;NKBAZXUNTHZEOK-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96324;MM96324;N#CCOC=CC=CCO;SAXRVIQCRGAZGS-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96325;MM96325;CC(=N)N;OQLZINXFSUDMHM-UHFFFAOYSA-N;58.08;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96326;MM96326;CNC(=N)CCCF;CSIGZHSXTSZZBH-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15378;MM15378;N#CCCC=NN=CCO;LQRXWJMLTKVRKW-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96327;MM96327;COC=NN=CCCC#N;JXJCNHDQRKXDMX-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96328;MM96328;CCCNC(=N)NC;QDHZGATZFJCGJG-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96329;MM96329;CN(C)C(=N)NCCCO;IIEKUUWNPOTFSZ-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96330;MM96330;CNC(=N)NCC(C)C;YDFHYXPRMHEXJE-UHFFFAOYSA-N;129.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96331;MM96331;CCC=NN=COCC#N;DBYLGMQZYVLLFJ-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96332;MM96332;O=CCOC=NN=CCO;PGYCUEBTVVZKAG-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96333;MM96333;N#CCOC=NN=CCO;DKYIGSZNANKUFS-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96334;MM96334;N#CCOC=NN=CCF;LCIFKVZDKCYBNI-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM02662;MM02662;COC=NN=COCC=O;KVUJPKPFQMEFEN-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96335;MM96335;COC=NN=COCC#N;AGGIEDCYHIKTCP-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96336;MM96336;CNC(=N)CCCCO;ZBDHXEMSKQHRHP-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96337;MM96337;O=CNOC=NN=CCO;DDNSDWHLGRPJMI-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96338;MM96338;O=CNOC=NN=CCF;GGUUKRWVXFSFNH-UHFFFAOYSA-N;147.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96339;MM96339;CN(C)C(=N)NCCN;IXMLFWLRPZACRZ-UHFFFAOYSA-N;130.2;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96340;MM96340;CNC(=N)C(C)CC(C)N;XRSXFWQXVMYLPH-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96341;MM96341;C#CC(=O)C(=NOC)OC;FRKALALQXFSNDX-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96342;MM96342;C=CCCO;ZSPTYLOMNJNZNG-UHFFFAOYSA-N;72.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96343;MM96343;C#CC(C=O)=C(C)CCO;DLCSXYWNHMERBR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96344;MM96344;C#CC(=O)C(C=C)=C(N)N;XAAOGJREZLWEFT-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96345;MM96345;Cc1oc(=NN)oc1F;QTNYZZPIVUVVPI-UHFFFAOYSA-N;132.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96346;MM96346;CNC(=N)NC;LINDOXZENKYESA-UHFFFAOYSA-N;87.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96347;MM96347;N#CCCC=NN=CC=O;HMYKJEQVRJWZID-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96348;MM96348;CNC(=N)NC(C)C;TVXROJOVQZPPOP-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM03061;MM03061;C=NNCC=NN=CC#N;HDDBUNLQMMFZNT-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd";;;;;;;0.43;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96349;MM96349;C=CC=NN=COCC#N;BIRDVYUHYDFZLO-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96350;MM96350;N#CCOC=NN=CC=O;FMRFSLYGFKPDKM-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na";;;;;;;0.43;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15441;MM15441;N#CC=NN=COCC#N;QRBZRULBMUZJGX-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96351;MM96351;CCNC(=N)NCC;MCMBEBOHGREEOP-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96352;MM96352;CNC(=N)C(C)CCN;WQNISXYTJROXAX-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96353;MM96353;C=CC=NN=CONC=O;XBFWDWVCGWIPJE-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96354;MM96354;N#CC=NN=CONC=O;GQCFAURNIDQETF-UHFFFAOYSA-N;140.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96355;MM96355;CC(O)C=CCCO;IAGFKGCEIOKJDB-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96356;MM96356;C=CC(N)CCC(=N)NC;NMBXPUSBSLWKFF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96357;MM96357;C#CC=NN=COCC#N;ODMQUYKJGBNSLM-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96358;MM96358;CNC(=N)NC(C)(C)C;QPEDHPOKCAQSTF-UHFFFAOYSA-N;129.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96359;MM96359;C#CC=NN=CONC=O;RJRYKZLHZGRADO-UHFFFAOYSA-N;139.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96360;MM96360;CC(CN)CC(=N)N(C)C;GMOYIFYMGRLOGT-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96361;MM96361;CNC(=N)CCCC=NN;QKZNBXYIPIZRJU-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96362;MM96362;C#CCOC=NN=CCO;VCIBETDLIDDUSD-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96363;MM96363;C#CCOC=NN=COC;NIDQILVKUUYZOI-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96364;MM96364;C#CC(C=CCCO)CO;RMSBNJUOCJOPHC-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96365;MM96365;CC(O)C=CC(C)C=O;XVWANHALKHXWGI-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96366;MM96366;CCC(C=O)C=CC(C)O;AZJZUGLGFPJVOS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96367;MM96367;CNC(=N)CCCC=NO;JGGGRUHIKZNABS-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96368;MM96368;CNC(=N)CCCCN;HHCOGYIYBOKOPT-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96369;MM96369;CC(CCN)C(=N)N(C)C;UMZDKZWYVDTQQD-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96370;MM96370;CC(N)CCC(=N)N(C)C;IDCGJJZXHOUQSJ-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96371;MM96371;CNC(=N)CCC=NO;NFMUUJZNGRVSOK-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96372;MM96372;CNN=CC=COC=NO;KQDZLJDMNZZABF-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96373;MM96373;O=CCCCCO;CNRGMQRNYAIBTN-UHFFFAOYSA-N;102.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96374;MM96374;C=C(C=O)CCCCO;PSNKMVCLVYFRJO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96375;MM96375;C=CC(=O)CCCCO;YZDFQIWJGBUOTJ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96376;MM96376;CN=C(N=CN(C)N)NC;MKUBVXIJRNKXLL-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96377;MM96377;CNC(=N)N=CN(C)O;FXXURYLZGYGAFU-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96378;MM96378;C=CN(C)C(=N)N(C)C;QJMLLBOFSXHTBN-UHFFFAOYSA-N;127.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96379;MM96379;C#CC(C=CC(=N)N)=NO;BEHSLFYEEZYKRN-UHFFFAOYSA-N;137.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96380;MM96380;O=CC(=O)CCCCO;DEVXXXDSMKXYTQ-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96381;MM96381;C=CNC(=N)C=CC=NO;QNFGIDIOSNRZDX-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96382;MM96382;N#CC(=O)CCCCO;UZQFCTCYXQUSPN-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96383;MM96383;C=CC(C=O)CCCO;CJXQMSXJEDZCOB-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96384;MM96384;C=CC(=N)NC=CC=NO;DYDQHWNHHIUXHF-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96385;MM96385;O=CC(C=CF)CCCO;MEJKRFXITHSDQV-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96386;MM96386;COC=CC=NOC=NO;JZTOGLTZRZTMCT-UHFFFAOYSA-N;144.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96387;MM96387;C=C(C)C(C=O)CCCO;DJWAKTNVBHDOJA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96388;MM96388;C#CC(C=CCC#N)CO;KRGLSBDQPFOICO-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96389;MM96389;CNN=C(C#N)C(C)=O;FOMHPQRCUDNBTG-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96390;MM96390;N#CC=NN=CCC=NO;GOPWBLVXWDTDNT-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96391;MM96391;CC(=N)NC(C)=CC=NO;UGAYCJNZOZVLIF-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96392;MM96392;NC(C=CCCO)=CC=O;QQIGEIYVYVYJRW-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01578;MM01578;CC=NOC=NN=CC#N;ISKUDZNFFRSXMF-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96393;MM96393;O=CC=CC=NNC=NO;JVCQHPNAJQUDIR-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96394;MM96394;N#CC=CC=NNC=NO;UOKRRPOBIHLXME-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96395;MM96395;C=C(CCCO)COC;MFIWJNPZHPLYCB-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96396;MM96396;C=C(CC=O)CCCO;BIGMSSQNECWHTG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96397;MM96397;O=CC=CC=NOC=NO;HAYYOMYHRNGALG-UHFFFAOYSA-N;142.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96398;MM96398;CN(C=N)C(N)=CC=NO;BTLHELBFBIHTPF-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96399;MM96399;C#CC=NN=COC=NO;LRHNNCREFDSISA-UHFFFAOYSA-N;139.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96400;MM96400;C#CC=CC=NNC=NO;SVTWDTJIEODROJ-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96401;MM96401;CN(C)C(=N)CCCCN;FRACTPAGRQIXPH-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96402;MM96402;COCOC=CC#CCO;SESIHCXSYHIYKZ-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96403;MM96403;CCC(=N)NC;SVKQJKDFMLYPSM-UHFFFAOYSA-N;86.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96404;MM96404;CNC(=N)N=CN(N)C=N;FKVLVYUYNPEMKD-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96405;MM96405;CNC(C)=N;NKQBQVNKUQULLD-UHFFFAOYSA-N;72.11;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96406;MM96406;CC(CO)CC#CC=O;WZUKTKATHXKHSI-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96407;MM96407;C=C(C)C(=C)CO;NIEQQIRNLFIULQ-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96408;MM96408;O=CC#CC=COCCO;KAKORVUAEKSICM-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96409;MM96409;CN=C(N(C)C)N(C)C;ISNICOKBNZOJQG-UHFFFAOYSA-N;129.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96410;MM96410;C=CC(=CC)CO;JFEVNRISRNTADC-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96411;MM96411;C=C(CO)C(=C)CC=O;HBKYPBRDGLNRJQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96412;MM96412;C#CC(C=O)CCCO;IIBROICCYCLWDV-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96413;MM96413;COCC(C=O)CCCO;YWRMBOVRCRDFEM-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96414;MM96414;CC(C)C(=N)N(C)C;MNSQSJWQUTWSOO-UHFFFAOYSA-N;114.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96415;MM96415;O=CC=CCCO;IAVXSWDFIXCESX-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96416;MM96416;N#CCOC=CC#CCO;RFYPJGFJOUTBEV-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96417;MM96417;CC(C=NO)=C(C)C(=N)N;RBCIMUUGLBIGMJ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96418;MM96418;CC(=O)C=CCCO;PUJJTGASTPFKQG-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96419;MM96419;C#CC(=O)C=CCCO;ZUYVBZYNYIGUHL-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96420;MM96420;CC(=CC(=N)N)C(C)=NO;YLLZKKSWNIKXMA-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96421;MM96421;C=C(CC(=O)C#N)C(=N)N;SNIBAMHEOKPJLT-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96422;MM96422;CNC(=N)N=C(C)NC=N;MWJYQFVTVQTZDG-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96423;MM96423;N#CC=C(N)OC(=O)C=O;PPXCMPMKECNSJG-UHFFFAOYSA-N;140.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96424;MM96424;CCN(C)C(=N)NC;RMWXQMGADHAFMU-UHFFFAOYSA-N;115.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96425;MM96425;CNC(=CC=O)NCC#N;HCXZDFOQPUKSDJ-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96426;MM96426;OCC#CC=CCC=NO;UHVOUKBDFJFNQG-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Pentan-1-ol;MM00901;CCCCCO;AMQJEAYHLZJPGS-UHFFFAOYSA-N;88.15;1.17;6276;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96427;MM96427;OCC#CC=COC=NO;NWBAHHRJTGPKMR-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96428;MM96428;OCCCCCF;FQBZGBYYKHMJFU-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96429;MM96429;CNC(=N)N=CNC(=N)N;UDQZQGZOTSZCNH-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96430;MM96430;CN(C)C(=N)N(C)CCN;RCGQEGCFALSAIR-UHFFFAOYSA-N;144.22;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96431;MM96431;N#CC#CC=COC=NO;QICYSMROYYBNES-UHFFFAOYSA-N;136.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96432;MM96432;C#CC(C)(C#C)CO;QVIHTPOMQXDKGG-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96433;MM96433;C=CC#CC=NNC=NO;ZOKSTCJKGLKSQI-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96434;MM96434;N#CC#CC=NNC=NO;BFEQLKSYYYZBLE-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96435;MM96435;N#CC#CC=NOC=NO;PDLZKRCVIVPPNV-UHFFFAOYSA-N;137.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96436;MM96436;CNC(=N)N(C)C;NQOFYFRKWDXGJP-UHFFFAOYSA-N;101.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96437;MM96437;CCNC(=N)N(C)C;GVXVHGXBINEISE-UHFFFAOYSA-N;115.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96438;MM96438;CC(=O)C(F)CCCCO;YZKDJEYSXJDDHS-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96439;MM96439;OCC=CC=NN=CCO;ALICLHHNSQUBPG-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96440;MM96440;COC(C=O)CCCCO;BVJLDCIOTRWDSE-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96441;MM96441;CNC(=N)C(C)=CC=NO;WPMQVVPUVDJDKK-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96442;MM96442;C#CC(C)CO;QDLPJHIEFRSZJK-UHFFFAOYSA-N;84.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96443;MM96443;CNC(=N)N(C)C(C)C;IWAVGAULBRVMHC-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96444;MM96444;CNC(=N)C=CC=NO;QYZHZHKBRBVJRP-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96445;MM96445;CC(=N)N(C)C;PAXRVGDTBDATMF-UHFFFAOYSA-N;86.14;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96446;MM96446;CN(C)C(=N)N(C)C;KYVBNYUBXIEUFW-UHFFFAOYSA-N;115.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM01789;MM01789;CON=CC=NN=CC#N;FBVMLHNIUACQPD-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96447;MM96447;CN(C)C(CF)=NC(=N)N;FRKZDIIMQWBKPU-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96448;MM96448;CC(=NC(=N)N)N(C)N;MMIIPWQNGFEBDR-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96449;MM96449;CNC(=N)N=CNC=N;NKORMBWVBIJHAB-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96450;MM96450;OCC#CC=NN=CCO;OYKMERYBUWKIOS-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96451;MM96451;CNC(=N)N=C(C)N(C)N;FIUFDNXIMSHTSE-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96452;MM96452;COC=NN=CC#CCO;PJXSKPBAQIPDNZ-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15483;MM15483;O=CC=NN=CC#CCO;RSMVZFLTYXGLRJ-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15346;MM15346;N#CC=NN=CC#CCO;CCLBXSSZUYNVBX-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15263;MM15263;N#CC=NN=CC#CC=O;WRCOBEAKHPGKJC-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96453;MM96453;C#CC#CC=CC=CC#N;QEUZURHCVLRDLH-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96454;MM96454;CC(C)N(N)C=NC(=N)N;NPWICGSZAUJRHP-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM15347;MM15347;C#CC=NN=CC#CCO;RMPZFERCTRQVMF-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96455;MM96455;N#CC#CC=CC#CC#N;RIOIJYHLIZGXNX-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96456;MM96456;CN(C)C(=N)C=CC=NO;MMLSWMZLZORLBC-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda";;;;;;;0.43;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96457;MM96457;N#CCCC#CCCCO;PKLCQOOEDOSQCW-UHFFFAOYSA-N;137.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96458;MM96458;CN(C)C(=N)N=CNC=N;SBULUZAXXKDLPA-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96459;MM96459;C=CC(O)C=CC;WCJAFRYVCLHKTK-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96460;MM96460;C#CC(CC=C)C(=C)CO;CAGWVYHADIKXFM-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96461;MM96461;N#CCCC#CCCC#N;KMPRAPDXYZVLDH-UHFFFAOYSA-N;132.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96462;MM96462;CC(C=O)CCCO;CPELAHWINAFKBC-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96463;MM96463;O=CC(CF)CCCO;JYEFXLOFQJUKQD-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1";;;;;;;-0.39;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96464;MM96464;CN=C(N=CN(C)C)NC;PLWOGHYYNYSIDY-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96465;MM96465;C=NNCC#CCC=NO;MAZCCLNHYNOJJQ-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96466;MM96466;CN(N)C=NC(=N)N;XPNCWOIFZNJQNB-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96467;MM96467;CNC(=N)N=CN(C)N;ONKYRIZBZFVYJC-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96468;MM96468;CN(N)C=NC(=N)N(C)C;NTZPNLFFRDDDIM-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96469;MM96469;C#CC(=NC(=N)N)NC=O;MPJMRKKWIPDYOK-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3";;;;;;;-1.53;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96470;MM96470;CCC(=NC(=N)N)N(C)C;QNXJUMUZRMMEEL-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96471;MM96471;C=CNC(=NN=C)NC=C;YSRVVKDDZRKQAX-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd";;;;;;;0.43;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96472;MM96472;C=NN=CC#CCNC=O;RMKHYNXEXZKTSJ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96473;MM96473;CNN=CC#CCC=NO;RQVVAXHIIOQBLG-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96474;MM96474;OCC#CC#CCCCO;PMHQIPJHSHENSU-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96475;MM96475;N#CC#CC#CCCCF;MHTVFIOYSQPRJG-UHFFFAOYSA-N;135.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96476;MM96476;CCN(C)C(C)=NC(=N)N;QWWGHEDUQVRWDX-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96477;MM96477;N#CC=C(N)C(=O)C=O;FHZRDOCOUAIOLJ-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96478;MM96478;C=CC(=NC(=N)N)N(C)C;SQFGJBAJIFHLQQ-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96479;MM96479;CN(C=NC(=N)N)CC#N;KLHWKDDSQUMVOH-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96480;MM96480;C=CCCC#CC#CC#N;RFBRLIFASVXNRA-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96481;MM96481;CCNC(=N)N=CN(C)C;SYWJGEZJVRJTAQ-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1";;;;;;;-0.39;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96482;MM96482;C#CCCC#CC#CC#N;LCSDUQODUYNXLM-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96483;MM96483;C#CC#CC#CCCC#C;WPZKHXKWHLDYCI-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96484;MM96484;OCC#CC#CCC=NO;LAASCGBRHJGQRP-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda";;;;;;;0.43;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96485;MM96485;N#CC#CC#CCC=CF;SYTNIQSLIZOMKH-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5";;;;;;;1.21;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96486;MM96486;CNC(=N)N=CN(C)C;ZDJYLLGAOWUUKJ-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2";;;;;;;-0.67;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96487;MM96487;N#CC#CC#CC=CC#N;IQTWGYSLXLJZAN-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96488;MM96488;C#CC#CC#CC=CC#N;RFIRWUQQKOBQCO-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4";;;;;;;1.77;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96489;MM96489;C#CC=CC#CC#CC#N;DYCWGZZVPSGCKR-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3";;;;;;;2.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96490;MM96490;C#CC#CC#CC=CC#C;CFQSCOMHBGQTJH-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96491;MM96491;N#CC#CC#CC#CC#N;PDLGZOVXXBZFJK-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0";;;;;;;0.74;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96492;MM96492;C#CC#CC#CC#CC#N;XBYCNIKNUFWLQZ-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96493;MM96493;C#CC#CC#CC#CC#C;RJSSSABFRNGYSJ-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96494;MM96494;CC=c1ccc(=CC)cc1;OUOSHUHEAARQOX-UHFFFAOYSA-N;132.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1";;;;;;;2.47;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96495;MM96495;C1CCC1;PMPVIKIVABFJJI-UHFFFAOYSA-N;56.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96496;MM96496;C1CNC1;HONIICLYMWZJFZ-UHFFFAOYSA-N;57.1;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96497;MM96497;C1COC1;AHHWIHXENZJRFG-UHFFFAOYSA-N;58.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96498;MM96498;CC1CCC1;BDJAEZRIGNCQBZ-UHFFFAOYSA-N;70.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96499;MM96499;NC1CCC1;KZZKOVLJUKWSKX-UHFFFAOYSA-N;71.12;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96500;MM96500;CN=c1[nH]c(=N)n(C=N)o1;YCULITHEGKSCOI-UHFFFAOYSA-N;141.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96501;MM96501;FC1CCC1;SKRPCQXQBBHPKO-UHFFFAOYSA-N;74.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96502;MM96502;CC1CNC1;HTHMVKNHGOVITA-UHFFFAOYSA-N;71.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96503;MM96503;NC1CNC1;FDPKMJDUXJFKOI-UHFFFAOYSA-N;72.11;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96504;MM96504;OC1CNC1;GMWFCJXSQQHBPI-UHFFFAOYSA-N;73.1;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96505;MM96505;CC1COC1;VJQHJNIGWOABDZ-UHFFFAOYSA-N;72.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96506;MM96506;NC1COC1;OJEOJUQOECNDND-UHFFFAOYSA-N;73.1;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96507;MM96507;OC1COC1;QMLWSAXEQSBAAQ-UHFFFAOYSA-N;74.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96508;MM96508;FC1COC1;ZYHRCFBHAKRMMN-UHFFFAOYSA-N;76.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96509;MM96509;CC1CCN1;DLBWPRNUXWYLRN-UHFFFAOYSA-N;71.12;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96510;MM96510;CC1CCO1;FZIIBDOXPQOKBP-UHFFFAOYSA-N;72.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96511;MM96511;CN1CCC1;WWYVZTLIFYLZFM-UHFFFAOYSA-N;71.12;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96512;MM96512;O=C1CCC1;SHQSVMDWKBRBGB-UHFFFAOYSA-N;70.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96513;MM96513;Cc1on(C)c(=NN)c1O;AYXUUZAFSGOWBZ-UHFFFAOYSA-N;143.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96514;MM96514;O=C1COC1;ROADCYAOHVSOLQ-UHFFFAOYSA-N;72.06;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96515;MM96515;O=C1CCN1;MNFORVFSTILPAW-UHFFFAOYSA-N;71.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96516;MM96516;O=C1CCO1;VEZXCJBBBCKRPI-UHFFFAOYSA-N;72.06;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96517;MM96517;C1CCCC1;RGSFGYAAUTVSQA-UHFFFAOYSA-N;70.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Pyrrolidine;MM17305;C1CCNC1;RWRDLPDLKQPQOW-UHFFFAOYSA-N;71.12;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96518;MM96518;C1CCOC1;WYURNTSHIVDZCO-UHFFFAOYSA-N;72.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96519;MM96519;C1COCO1;WNXJIVFYUVYPPR-UHFFFAOYSA-N;74.08;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96520;MM96520;C1=CCCC1;LPIQUOYDBNQMRZ-UHFFFAOYSA-N;68.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96521;MM96521;C1=NNCC1;MCGBIXXDQFWVDW-UHFFFAOYSA-N;70.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96522;MM96522;C1=NCCN1;MTNDZQHUAFNZQY-UHFFFAOYSA-N;70.1;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96523;MM96523;C1=COCC1;JKTCBAGSMQIFNL-UHFFFAOYSA-N;70.09;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96524;MM96524;C1=NOCC1;WEQPBCSPRXFQQS-UHFFFAOYSA-N;71.08;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96525;MM96525;C1=COCO1;ABADUMLIAZCWJD-UHFFFAOYSA-N;72.06;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96526;MM96526;C1=NOCO1;ZWEGOVJVJZJDQJ-UHFFFAOYSA-N;73.05;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96527;MM96527;C1=CCNC1;JVQIKJMSUIMUDI-UHFFFAOYSA-N;69.11;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96528;MM96528;C1=CCOC1;ARGCQEVBJHPOGB-UHFFFAOYSA-N;70.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96529;MM96529;C1=CCC=C1;ZSWFCLXCOIISFI-UHFFFAOYSA-N;66.1;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96530;MM96530;C1=NN=CC1;NILYRCYRBPDITI-UHFFFAOYSA-N;68.08;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96531;MM96531;c1cc[nH]c1;KAESVJOAVNADME-UHFFFAOYSA-N;67.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96532;MM96532;c1nc[nH]n1;NSPMIYGKQJPBQR-UHFFFAOYSA-N;69.07;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96533;MM96533;Cc1nc(=NO)on1N;GOGPNFPMDOCKLL-UHFFFAOYSA-N;130.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96534;MM96534;c1c[nH]nn1;QWENRTYMTSOGBR-UHFFFAOYSA-N;69.07;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96535;MM96535;Oc1c(F)[nH]c(F)c1O;NWYLCJZEZUDKFR-UHFFFAOYSA-N;135.07;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96536;MM96536;O=c1[nH]cc(O)n1O;OOBCOOYUMGDCNZ-UHFFFAOYSA-N;116.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96537;MM96537;c1ccoc1;YLQBMQCUIZJEEH-UHFFFAOYSA-N;68.08;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96538;MM96538;c1cocn1;ZCQWOFVYLHDMMC-UHFFFAOYSA-N;69.06;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96539;MM96539;c1nnco1;FKASFBLJDCHBNZ-UHFFFAOYSA-N;70.05;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96540;MM96540;c1cnoc1;CTAPFRYPJLPFDF-UHFFFAOYSA-N;69.06;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96541;MM96541;c1conn1;WCPAKWJPBJAGKN-UHFFFAOYSA-N;70.05;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96542;MM96542;c1ncon1;BBVIDBNAYOIXOE-UHFFFAOYSA-N;70.05;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96543;MM96543;c1nnno1;CQDAMYNQINDRQC-UHFFFAOYSA-N;71.04;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96544;MM96544;c1cnon1;JKFAIQOWCVVSKC-UHFFFAOYSA-N;70.05;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96545;MM96545;c1nnon1;JZTKNVMVUVSGJF-UHFFFAOYSA-N;71.04;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96546;MM96546;CC(F)(F)CF;DONSGGANNRCHDL-UHFFFAOYSA-N;98.07;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96547;MM96547;FCC(F)(F)F;LVGUZGTVOIAKKC-UHFFFAOYSA-N;102.03;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96548;MM96548;Cc1nc(=N)c(O)cn1O;VZPPFYHQNIPWDJ-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96549;MM96549;CC(C)CCF;TVHQEXCGMKZBME-UHFFFAOYSA-N;90.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96550;MM96550;CC(O)CCO;PUPZLCDOIYMWBV-UHFFFAOYSA-N;90.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96551;MM96551;CCCC(C)F;YHRLGIPTCSGMRF-UHFFFAOYSA-N;90.14;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96552;MM96552;CCCC(F)F;CPLSOYONVLSMGL-UHFFFAOYSA-N;94.1;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96553;MM96553;CNCC(C)N;WJVAPEMLIPHCJB-UHFFFAOYSA-N;88.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96554;MM96554;CNCC(C)O;AEKHFLDILSDXBL-UHFFFAOYSA-N;89.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96555;MM96555;COCC(C)C;ZYVYEJXMYBUCMN-UHFFFAOYSA-N;88.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96556;MM96556;COCC(C)N;NXMXETCTWNXSFG-UHFFFAOYSA-N;89.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96557;MM96557;COCC(F)F;CRGZRXUKXVTRNO-UHFFFAOYSA-N;96.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96558;MM96558;CCOC(C)C;XSJVWZAETSBXKU-UHFFFAOYSA-N;88.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96559;MM96559;CCCN(C)C;ZUHZZVMEUAUWHY-UHFFFAOYSA-N;87.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96560;MM96560;N#CCC(F)F;HENWDOAXHRRZFZ-UHFFFAOYSA-N;91.06;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96561;MM96561;C=C(C)CCF;ZNOJMLZHXBZGPS-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96562;MM96562;N=C(N)CCO;PFDXDMXJMLPQIL-UHFFFAOYSA-N;88.11;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96563;MM96563;NC(=O)CCO;SMGLHFBQMBVRCP-UHFFFAOYSA-N;89.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96564;MM96564;C=C(F)CCF;HKVJPCJKUOZTSL-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96565;MM96565;CNCC(=N)N;RTUNRVVTVQFHFA-UHFFFAOYSA-N;87.13;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96566;MM96566;CNCC(N)=O;CBBFWSMELCDMPZ-UHFFFAOYSA-N;88.11;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96567;MM96567;C=C(C)COC;IFUHHVOEHBXDPB-UHFFFAOYSA-N;86.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96568;MM96568;C=C(F)COC;KYLFVNDJHITVLU-UHFFFAOYSA-N;90.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96569;MM96569;CNNC(C)=N;DCSHJYJZDMEKSG-UHFFFAOYSA-N;87.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96570;MM96570;CNNC(=N)N;JUUGAGHWTZKXDQ-UHFFFAOYSA-N;88.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96571;MM96571;CONC(C)=N;WMWMBQUGRILRBV-UHFFFAOYSA-N;88.11;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96572;MM96572;CCOC(C)=O;XEKOWRVHYACXOJ-UHFFFAOYSA-N;88.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96573;MM96573;CCOC(=N)N;HEFJCHKCDAWHDQ-UHFFFAOYSA-N;88.11;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96574;MM96574;NC(=O)CC=O;OFZFFIDUIUEPIB-UHFFFAOYSA-N;87.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96575;MM96575;CC(F)C=CF;VJNJGUMODWDGQO-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96576;MM96576;CC=CC(F)F;WPUUAHVUNJYCRY-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96577;MM96577;FC=CC(F)F;FFTOUVYEKNGDCM-UHFFFAOYSA-N;96.05;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96578;MM96578;CC(N)C=NO;PONWVQAVGORTAZ-UHFFFAOYSA-N;88.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96579;MM96579;CN(C)C=NN;RIJPVVHEMJLKJT-UHFFFAOYSA-N;87.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96580;MM96580;Cn1occ(O)c1=NN;UYFPVSLEASOSDF-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96581;MM96581;C=C(C)C=CF;OXTGHUHTRXPIKZ-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96582;MM96582;NC(=O)C=CF;SUIMSVUAPCFSKZ-UHFFFAOYSA-N;89.07;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96583;MM96583;O=C(O)C=CF;VNBVGNOFNYFYIO-UHFFFAOYSA-N;90.05;0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96584;MM96584;C=C(F)C=CF;XKRNWHXQRIZRDQ-UHFFFAOYSA-N;90.07;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96585;MM96585;N=C(N)C=NN;SWMZQANLVOSSAI-UHFFFAOYSA-N;86.1;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96586;MM96586;N=C(N)C=NO;LIMADPITUFLQGZ-UHFFFAOYSA-N;87.08;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96587;MM96587;CCn1nc(N)n(O)c1=O;MZXKNFBRIVZCLT-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96588;MM96588;CCc1cc(=O)n(O)n1O;GTXDAADKNNKCSH-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96589;MM96589;C=C(F)C=NN;JNRYQFKFJRWJOV-UHFFFAOYSA-N;88.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96590;MM96590;CC(C)=CCF;CWGSHJFRUVPYTQ-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96591;MM96591;CC(F)=CCF;RDNRZELOWHVMCD-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96592;MM96592;CCC=C(F)F;CYICOSUAVXTZOD-UHFFFAOYSA-N;92.09;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96593;MM96593;OCC=C(F)F;GUWIZLFGIILDAL-UHFFFAOYSA-N;94.06;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96594;MM96594;FCC=C(F)F;URZZGOOCQOQVOC-UHFFFAOYSA-N;96.05;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96595;MM96595;CC(F)=CC=O;BKYOYQMAMYSBFC-UHFFFAOYSA-N;88.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96596;MM96596;O=CC=C(F)F;CPASXBDWVYYQEQ-UHFFFAOYSA-N;92.04;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96597;MM96597;FC(F)C(F)F;WXGNWUVNYMJENI-UHFFFAOYSA-N;102.03;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96598;MM96598;Cc1cc(=O)n(O)n1O;RHBAWQOZDKVEER-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96599;MM96599;C=C(F)C(C)F;AXVVWOPLKNHSQW-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96600;MM96600;O=C(O)C(F)F;PBWZKZYHONABLN-UHFFFAOYSA-N;96.03;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96601;MM96601;C=C(F)C(F)F;JMRIJKGIVGYIAD-UHFFFAOYSA-N;96.05;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96602;MM96602;O=c1cc(O)n(O)cc1F;IJZRVFDRJYRQDS-UHFFFAOYSA-N;145.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96603;MM96603;C=C(F)C(N)=O;QLGUMAKHZODJET-UHFFFAOYSA-N;89.07;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96604;MM96604;C=C(F)C(=O)O;TYCFGHUTYSLISP-UHFFFAOYSA-N;90.05;0.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96605;MM96605;C=C(F)C(=C)F;XQQOMTYXDIGHNA-UHFFFAOYSA-N;90.07;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96606;MM96606;CC1(C)CCC1;OFZYBEBWCZBCPM-UHFFFAOYSA-N;84.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96607;MM96607;CC1(N)CCC1;ZAXBVBGWLMVNJN-UHFFFAOYSA-N;85.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96608;MM96608;C=Cc1nn(N)c(=NN)[nH]1;QJCQSYHHJPXOBC-UHFFFAOYSA-N;140.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96609;MM96609;CC1(F)CCC1;QXNDYAQIYCLBJC-UHFFFAOYSA-N;88.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96610;MM96610;FC1(F)CCC1;DPPHNCGGFCAZGX-UHFFFAOYSA-N;92.09;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96611;MM96611;CC1(C)CNC1;RLVVIGIYIMDCAU-UHFFFAOYSA-N;85.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96612;MM96612;CC1(N)CNC1;PYBBRDLRXFWWFU-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96613;MM96613;CC1(O)CNC1;LDLAEUFQUOXALI-UHFFFAOYSA-N;87.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96614;MM96614;FC1(F)CNC1;QUHVRXKSQHIZNV-UHFFFAOYSA-N;93.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96615;MM96615;CC1(C)COC1;RVGLUKRYMXEQAH-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96616;MM96616;CC1(N)COC1;NQVWMPOQWBDSAI-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96617;MM96617;CC1(O)COC1;DHDPUVPGALXWOL-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96618;MM96618;CC1(F)COC1;WKGSLRIXTZADGQ-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96619;MM96619;FC1(F)COC1;ZIJXRBOWCNYSSG-UHFFFAOYSA-N;94.06;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96620;MM96620;CC1(C)CCN1;KTHMOBNDGBTCLB-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96621;MM96621;CC1(C)CCO1;XHYFCIYCSYEDCP-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96622;MM96622;FC1CC1(F)F;FLGZTFCSEYVPGT-UHFFFAOYSA-N;96.05;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96623;MM96623;CC1CC(C)C1;WKHRDGKOKYBNDZ-UHFFFAOYSA-N;84.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96624;MM96624;CC1CC(N)C1;GNHDRVDLNQEOPA-UHFFFAOYSA-N;85.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96625;MM96625;N=CNc1nc(CF)n[nH]1;PUCPJPMYLJOGRJ-UHFFFAOYSA-N;143.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96626;MM96626;CC1CC(F)C1;MVPSCFJABIGCOE-UHFFFAOYSA-N;88.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96627;MM96627;NC1CC(N)C1;UYLSVYARXBFEKV-UHFFFAOYSA-N;86.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96628;MM96628;NC1CC(O)C1;JLUZCHOYSPEHES-UHFFFAOYSA-N;87.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96629;MM96629;NC1CC(F)C1;APCSZMINSACNSQ-UHFFFAOYSA-N;89.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96630;MM96630;OC1CC(O)C1;STENYDAIMALDKF-UHFFFAOYSA-N;88.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96631;MM96631;OC1CC(F)C1;GSESEWCACAKURA-UHFFFAOYSA-N;90.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96632;MM96632;FC1CC(F)C1;QQETVNFAIRSQDR-UHFFFAOYSA-N;92.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96633;MM96633;CC1CC(C)N1;YPIDADKMTAZBST-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96634;MM96634;CC1CC(C)O1;KPPWZEMUMPFHEX-UHFFFAOYSA-N;86.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96635;MM96635;CC1CN(C)C1;ILBZSNOGPTUKHC-UHFFFAOYSA-N;85.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96636;MM96636;CN1CC(N)C1;BIWZYRJXBPPLLA-UHFFFAOYSA-N;86.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96637;MM96637;CN1CC(F)C1;DERXELLTUOVDQH-UHFFFAOYSA-N;89.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96638;MM96638;CC1CC(=O)C1;JOAKNMHVZBHWFI-UHFFFAOYSA-N;84.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96639;MM96639;O=C1CC(O)C1;VYZHGWJPDGIYDR-UHFFFAOYSA-N;86.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96640;MM96640;O=C1CC(F)C1;KQFPMCCDQBTGLX-UHFFFAOYSA-N;88.08;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96641;MM96641;CC1CC(=O)N1;XMSFNEZQRPOHAR-UHFFFAOYSA-N;85.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96642;MM96642;CC1CC(=O)O1;GSCLMSFRWBPUSK-UHFFFAOYSA-N;86.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96643;MM96643;Cn1oc(CN)nc1=NO;YOUUPKVTPMHFPZ-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96644;MM96644;N#CC(O)CF;UOGBTMPRFBZNOU-UHFFFAOYSA-N;89.07;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96645;MM96645;NNC(=O)CF;HYXCKBUBQWDMFP-UHFFFAOYSA-N;92.07;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96646;MM96646;CN=c1cc(O)cnn1C;ZIZUSTLABNMWCW-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96647;MM96647;CCc1nc(=NO)on1N;GKJUXJXBSZHVEX-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96648;MM96648;CCC(F)=CF;RLLUMKBDOJUBQE-UHFFFAOYSA-N;92.09;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96649;MM96649;CC=C(F)CF;SLBHLCQNNQZOBA-UHFFFAOYSA-N;92.09;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96650;MM96650;FC=C(F)CF;TXHNVFGQJAAUNB-UHFFFAOYSA-N;96.05;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96651;MM96651;CC1CCC1C;IVAGOJQDJFWIRT-UHFFFAOYSA-N;84.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96652;MM96652;CC1CCC1N;YYMQZXMSPLVJJN-UHFFFAOYSA-N;85.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96653;MM96653;C=Cc1nc(=NO)on1N;OCGLAPTZSPLQGV-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96654;MM96654;CC1CCC1F;ZDVTWWKORPXWMB-UHFFFAOYSA-N;88.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96655;MM96655;NC1CCC1N;VHCQWQAYVBRQQC-UHFFFAOYSA-N;86.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96656;MM96656;NC1CCC1O;WXKBWWIWJCCING-UHFFFAOYSA-N;87.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96657;MM96657;NC1CCC1F;BCPCGXVZMKTSKQ-UHFFFAOYSA-N;89.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96658;MM96658;OC1CCC1O;MHPMXFUDCYMCOE-UHFFFAOYSA-N;88.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96659;MM96659;OC1CCC1F;NRJPDTSRPYWKAA-UHFFFAOYSA-N;90.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96660;MM96660;FC1CCC1F;ABANFUVACOXJMM-UHFFFAOYSA-N;92.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96661;MM96661;CC1CNC1C;BMVHDBKYVGUEIX-UHFFFAOYSA-N;85.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96662;MM96662;CC1NCC1N;DQVSWGXUBQLRGI-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96663;MM96663;CC1NCC1O;QIFJASJJDSEUFV-UHFFFAOYSA-N;87.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96664;MM96664;CC1COC1C;CIPFOSRMMVMZPR-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96665;MM96665;CC1OCC1N;LNXUAXWPZSNDFV-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96666;MM96666;CC1OCC1O;KHCRYZBFFWBCMJ-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96667;MM96667;CC1OCC1F;DBCLVXQNQOCWNV-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96668;MM96668;CC1CCN1C;MKPZDBNKUJHYCK-UHFFFAOYSA-N;85.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96669;MM96669;CC1CCC1=O;YQENJRQBTHILBT-UHFFFAOYSA-N;84.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96670;MM96670;O=C1CCC1O;IGFPZGGCJLBVEJ-UHFFFAOYSA-N;86.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96671;MM96671;O=C1CCC1F;ZUKLTDVOKPCAIE-UHFFFAOYSA-N;88.08;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96672;MM96672;CC1CNC1=O;XYAPRMQTKAOTJZ-UHFFFAOYSA-N;85.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96673;MM96673;O=C1NCC1O;BYBSZKOGUBQJEE-UHFFFAOYSA-N;87.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96674;MM96674;O=C1NCC1F;AINOTODHGHVTEE-UHFFFAOYSA-N;89.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96675;MM96675;CC1COC1=O;NYBXFCLDEATPCM-UHFFFAOYSA-N;86.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96676;MM96676;NC1COC1=O;NEUYIGRTSOYBCJ-UHFFFAOYSA-N;87.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96677;MM96677;O=C1OCC1O;LGUPRTLHPKMGHK-UHFFFAOYSA-N;88.06;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96678;MM96678;O=C1OCC1F;QAASNXVFZQIXDD-UHFFFAOYSA-N;90.05;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96679;MM96679;C#Cc1cc(=N)c(=O)o[nH]1;VHEXUSQHOYQIEZ-UHFFFAOYSA-N;136.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96680;MM96680;CC1OCC1=O;NOVNNMPBRZQLHL-UHFFFAOYSA-N;86.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96681;MM96681;CN1CCC1=O;QOEUNLQGZBSTBB-UHFFFAOYSA-N;85.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96682;MM96682;NN1CCC1=O;JTFLUJJESVAQGM-UHFFFAOYSA-N;86.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96683;MM96683;CC1CCCC1;GDOPTJXRTPNYNR-UHFFFAOYSA-N;84.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96684;MM96684;NC1CCCC1;NISGSNTVMOOSJQ-UHFFFAOYSA-N;85.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96685;MM96685;Cn1nc(CN)oc1=NO;RMZRZLICDBMQBG-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96686;MM96686;FC1CCCC1;YHYNFMGKZFOMAG-UHFFFAOYSA-N;88.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96687;MM96687;CC1CCNC1;KYINPWAJIVTFBW-UHFFFAOYSA-N;85.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96688;MM96688;NC1CCNC1;NGXSWUFDCSEIOO-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96689;MM96689;OC1CCNC1;JHHZLHWJQPUNKB-UHFFFAOYSA-N;87.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96690;MM96690;FC1CCNC1;CDDGNGVFPQRJJM-UHFFFAOYSA-N;89.11;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96691;MM96691;CC1CCOC1;LJPCNSSTRWGCMZ-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96692;MM96692;NC1CCOC1;MIPHRQMEIYLZFZ-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96693;MM96693;OC1CCOC1;XDPCNPCKDGQBAN-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96694;MM96694;FC1CCOC1;ZYGLLHJTMNMFJS-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96695;MM96695;CC1CCCN1;RGHPCLZJAFCTIK-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96696;MM96696;CC1CCCO1;JWUJQDFVADABEY-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96697;MM96697;CC1COCO1;SBUOHGKIOVRDKY-UHFFFAOYSA-N;88.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96698;MM96698;CC1OCCO1;HTWIZMNMTWYQRN-UHFFFAOYSA-N;88.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96699;MM96699;CN1CCCC1;AVFZOVWCLRSYKC-UHFFFAOYSA-N;85.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96700;MM96700;C=C1CCCC1;NFJPEKRRHIYYES-UHFFFAOYSA-N;82.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96701;MM96701;O=C1CCCC1;BGTOWKSIORTVQH-UHFFFAOYSA-N;84.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96702;MM96702;C=C1CCNC1;XGJYZAAIQYBIKF-UHFFFAOYSA-N;83.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96703;MM96703;C=C1CCOC1;TXBFKXDFIPFHAV-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96704;MM96704;O=C1CCOC1;JLPJFSCQKHRSQR-UHFFFAOYSA-N;86.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96705;MM96705;N=C1CCCN1;NJBMZYSKLWQXLJ-UHFFFAOYSA-N;84.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96706;MM96706;O=C1CCCN1;HNJBEVLQSNELDL-UHFFFAOYSA-N;85.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96707;MM96707;N=C1CCNN1;KMFMGDTYKKZYSE-UHFFFAOYSA-N;85.11;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96708;MM96708;O=C1CCNN1;NDGRWYRVNANFNB-UHFFFAOYSA-N;86.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96709;MM96709;N=C1CCON1;XPZOKPQZEPSMFC-UHFFFAOYSA-N;86.09;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96710;MM96710;O=C1CCON1;QXDOFVVNXBGLKK-UHFFFAOYSA-N;87.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96711;MM96711;C=C1CCCO1;GCQZRSVHYPEACN-UHFFFAOYSA-N;84.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96712;MM96712;O=C1CCCO1;YEJRWHAVMIAJKC-UHFFFAOYSA-N;86.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96713;MM96713;C=C1COCO1;UMEHTUCYIDSLRJ-UHFFFAOYSA-N;86.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96714;MM96714;O=C1COCO1;GZTMCZAOQTVOJK-UHFFFAOYSA-N;88.06;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96715;MM96715;N=C1NCCN1;DISXFZWKRTZTRI-UHFFFAOYSA-N;85.11;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96716;MM96716;O=C1NCCN1;YAMHXTCMCPHKLN-UHFFFAOYSA-N;86.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96717;MM96717;N=C1NCCO1;YAXGBZDYGZBRBQ-UHFFFAOYSA-N;86.09;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96718;MM96718;O=C1NCCO1;IZXIZTKNFFYFOF-UHFFFAOYSA-N;87.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96719;MM96719;O=C1OCCO1;KMTRUDSVKNLOMY-UHFFFAOYSA-N;88.06;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96720;MM96720;CC1CC=CC1;FWMRUAODTCVEQK-UHFFFAOYSA-N;82.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96721;MM96721;NC1CC=CC1;LJSBEPFUQWPNBZ-UHFFFAOYSA-N;83.13;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96722;MM96722;CN=c1[nH]c(=NN)n(C)o1;RMXCENDPIKMFQU-UHFFFAOYSA-N;143.15;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96723;MM96723;FC1CC=CC1;UDOXCSBPIYZHIV-UHFFFAOYSA-N;86.11;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96724;MM96724;CC1CC=NN1;KDTSAMBCRXSULF-UHFFFAOYSA-N;84.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96725;MM96725;CC1CN=CN1;STFIZEBRSSCPKA-UHFFFAOYSA-N;84.12;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96726;MM96726;CC1CC=CO1;WRWGLRHYWHYHJG-UHFFFAOYSA-N;84.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96727;MM96727;CC1CC=NO1;ZILNEOWOIBARRD-UHFFFAOYSA-N;85.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96728;MM96728;CC1OC=CO1;WGHMWTYSXYBZSU-UHFFFAOYSA-N;86.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96729;MM96729;CC1OC=NO1;NASRAYGRMFKGOO-UHFFFAOYSA-N;87.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96730;MM96730;CN1CC=CC1;AHVYPIQETPWLSZ-UHFFFAOYSA-N;83.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96731;MM96731;C=C1CC=CC1;LWDUGATUDNIVEU-UHFFFAOYSA-N;80.13;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96732;MM96732;O=C1CC=CC1;KQAVUGAZLAPNJY-UHFFFAOYSA-N;82.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96733;MM96733;N=C1CC=CN1;BYGGNODLDKCAPB-UHFFFAOYSA-N;82.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96734;MM96734;O=C1CC=CN1;VIESAWGOYVNHLV-UHFFFAOYSA-N;83.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96735;MM96735;O=C1CC=NN1;ZRHUHDUEXWHZMA-UHFFFAOYSA-N;84.08;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96736;MM96736;C=C1CN=CN1;CYJJKBFVRQZFEM-UHFFFAOYSA-N;82.11;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96737;MM96737;CN=c1cc[nH]c(=NN)o1;HHFAYAWGUMHRRV-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96738;MM96738;C=C1CC=CO1;IRGVRURTPPUEDB-UHFFFAOYSA-N;82.1;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96739;MM96739;O=C1CC=CO1;RHDGNLCLDBVESU-UHFFFAOYSA-N;84.07;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96740;MM96740;O=C1CC=NO1;QBWUTXXJFOIVME-UHFFFAOYSA-N;85.06;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96741;MM96741;N=c1[nH]cc[nH]1;DEPDDPLQZYCHOH-UHFFFAOYSA-N;83.09;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96742;MM96742;O=c1[nH]cc[nH]1;AICIYIDUYNFPRY-UHFFFAOYSA-N;84.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96743;MM96743;CNc1noc(=O)c(=O)[nH]1;RZASICMDTSDZMS-UHFFFAOYSA-N;143.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96744;MM96744;N=c1[nH]cco1;ACTKAGSPIFDCMF-UHFFFAOYSA-N;84.08;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96745;MM96745;O=c1[nH]cco1;XYVMOLOUBJBNBF-UHFFFAOYSA-N;85.06;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96746;MM96746;O=c1[nH]cno1;PCJFEVUKVKQSSL-UHFFFAOYSA-N;86.05;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96747;MM96747;C#Cc1coc(O)c1;PHKNQWCXGMHOBT-UHFFFAOYSA-N;108.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96748;MM96748;Nc1oc(O)c(O)c1F;GXOMRJMRRNEOLM-UHFFFAOYSA-N;133.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96749;MM96749;CC1C=CCC1;CXOZQHPXKPDQGT-UHFFFAOYSA-N;82.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96750;MM96750;NC1C=CCC1;VSYCRDXNSAXDIU-UHFFFAOYSA-N;83.13;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96751;MM96751;N=c1cc[nH]c(=NN)o1;MXXDKFRWTCAHLI-UHFFFAOYSA-N;126.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96752;MM96752;FC1C=CCC1;OPNSNMMOWIYFLI-UHFFFAOYSA-N;86.11;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96753;MM96753;CC1C=NNC1;NAFCTXVXMUDIFW-UHFFFAOYSA-N;84.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96754;MM96754;C#CCN(C)CC(=O)NO;RXMALWCLFZOFRE-UHFFFAOYSA-N;142.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96755;MM96755;C=C(C=NO)C(=O)C(=N)N;VNOUDNMJRPAMRW-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96756;MM96756;CC1C=COC1;GLXIOXNPORODGG-UHFFFAOYSA-N;84.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96757;MM96757;NC1C=COC1;YSZRNNDXMWQORS-UHFFFAOYSA-N;85.11;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96758;MM96758;OC1C=COC1;DRNQVMIOXGNQTM-UHFFFAOYSA-N;86.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96759;MM96759;FC1C=COC1;PMHXBHXVYSIERB-UHFFFAOYSA-N;88.08;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96760;MM96760;CC1C=NOC1;CLOXCMPHUUATPY-UHFFFAOYSA-N;85.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96761;MM96761;Cn1c(=NO)oc(=N)n1N;GBIFXVCVHXNJPD-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96762;MM96762;Cn1c(O)cc(=NN)n1N;UFBIPWNWNNFTSL-UHFFFAOYSA-N;143.15;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96763;MM96763;CC1C=CCN1;NTOYRGWWZZQRAC-UHFFFAOYSA-N;83.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96764;MM96764;CC1C=CCO1;PEHCQOOWKYRUJF-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96765;MM96765;CN1C=NCC1;ANFXTILBDGTSEG-UHFFFAOYSA-N;84.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96766;MM96766;CN1CCC=N1;FNOKJRGVMILSFT-UHFFFAOYSA-N;84.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96767;MM96767;C=C1C=CCC1;YWQLRBQGXHZJCF-UHFFFAOYSA-N;80.13;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96768;MM96768;O=C1C=CCC1;BZKFMUIJRXWWQK-UHFFFAOYSA-N;82.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96769;MM96769;Oc1cc[nH]c1;ZPOROQKDAPEMOL-UHFFFAOYSA-N;83.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96770;MM96770;C=C1C=NNC1;YASTZLSYLMMKIJ-UHFFFAOYSA-N;82.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96771;MM96771;C=NN=CC(=O)C(F)C=O;ZUMSZBJXKCVNNB-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96772;MM96772;C=C1C=COC1;MHJQIPCBVWTATE-UHFFFAOYSA-N;82.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96773;MM96773;C=C1C=NOC1;DERYCZBZXXZYMJ-UHFFFAOYSA-N;83.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96774;MM96774;Cn1ccc(=N)n(O)c1=O;FZZOKIWYOTYVLI-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96775;MM96775;N=C1C=CCN1;BSNZWSKBNMIUPM-UHFFFAOYSA-N;82.11;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96776;MM96776;O=C1C=CCN1;CDCHBOQVXIGZHA-UHFFFAOYSA-N;83.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96777;MM96777;NCC(=NO)N(O)C=NO;JNBJYHOKHQSBIP-UHFFFAOYSA-N;148.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96778;MM96778;CNC(=O)OC(CO)=NO;UCCWSNMHCBXUGE-UHFFFAOYSA-N;148.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96779;MM96779;CCN(C)C(=N)C(=O)NO;YBTZTYRYNJYAIZ-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96780;MM96780;Cn1nc(C=O)nc1O;VBQIVABPBJJUKU-UHFFFAOYSA-N;127.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96781;MM96781;NNC1=NC(=NO)C=C1;FMFRSPTWKOPRCV-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96782;MM96782;Nc1c(O)[nH][nH]c1=O;IKUPGAFMVPZQKC-UHFFFAOYSA-N;115.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96783;MM96783;Nc1cnon1;AOYBLZGEIIBUTE-UHFFFAOYSA-N;85.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96784;MM96784;ON=CC(O)C=C(F)F;SPHIDXBMZRPUHN-UHFFFAOYSA-N;137.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96785;MM96785;CN(C)c1nncc(=O)[nH]1;SCWRRKAMMDBHMS-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96786;MM96786;O=c1nno[nH]1;PZZDRKAXDMADKP-UHFFFAOYSA-N;87.04;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96787;MM96787;C=C1C=CCO1;KZMUFVYGDRWSEN-UHFFFAOYSA-N;82.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96788;MM96788;O=C1C=CCO1;VIHAEDVKXSOUAT-UHFFFAOYSA-N;84.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96789;MM96789;C#Cc1cnn(NC)c1O;PVAZSXPSEKBJDZ-UHFFFAOYSA-N;137.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96790;MM96790;Nn1c(F)c(O)cnc1=O;TXTYJZYZMLPARL-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96791;MM96791;CC1C=CC=C1;QVRBGKYLLCLCHL-UHFFFAOYSA-N;80.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96792;MM96792;NC1C=CC=C1;BYPDAAZBLBEWNV-UHFFFAOYSA-N;81.12;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96793;MM96793;OC1C=CC=C1;GRZIHXUWTOPZRY-UHFFFAOYSA-N;82.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96794;MM96794;FC1C=CC=C1;YBSBRQKWPYSVKR-UHFFFAOYSA-N;84.09;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96795;MM96795;CC1C=NN=C1;SEJLWOGMVKPESI-UHFFFAOYSA-N;82.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96796;MM96796;OC1C=NN=C1;SGLBFTXMYJDNIS-UHFFFAOYSA-N;84.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96797;MM96797;FC1C=NN=C1;QUTYCWVGXANJLJ-UHFFFAOYSA-N;86.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96798;MM96798;Cn1cccc1;OXHNLMTVIGZXSG-UHFFFAOYSA-N;81.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96799;MM96799;Nn1cccc1;YNZAFFFENDLJQG-UHFFFAOYSA-N;82.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96800;MM96800;On1cccc1;XBIAGSJDARBSKG-UHFFFAOYSA-N;83.09;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96801;MM96801;Nn1ccnc1;MXZANEWAFZMPKW-UHFFFAOYSA-N;83.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96802;MM96802;CNNC(=NN)ONC=O;HGQIQOWHFNHUNE-UHFFFAOYSA-N;147.14;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96803;MM96803;Cn1cnnc1;XILPCSMEKCBYFO-UHFFFAOYSA-N;83.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96804;MM96804;Nn1cnnc1;FMCUPJKTGNBGEC-UHFFFAOYSA-N;84.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96805;MM96805;Cn1cccn1;UQFQONCQIQEYPJ-UHFFFAOYSA-N;82.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96806;MM96806;Nn1cccn1;NYIGEYYREVRXES-UHFFFAOYSA-N;83.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96807;MM96807;On1cccn1;QVCIPIYWPSPRFA-UHFFFAOYSA-N;84.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96808;MM96808;Cn1ccnn1;JWAWEQBUZOGIBZ-UHFFFAOYSA-N;83.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96809;MM96809;Nn1ccnn1;MPSUGQWRVNRJEE-UHFFFAOYSA-N;84.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96810;MM96810;Cn1cncn1;MWZDIEIXRBWPLG-UHFFFAOYSA-N;83.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96811;MM96811;Nn1cncn1;NHAZGSRLKBTDBF-UHFFFAOYSA-N;84.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96812;MM96812;Cn1cnnn1;OMAFFHIGWTVZOH-UHFFFAOYSA-N;84.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96813;MM96813;Nn1cnnn1;KNRUQUSSDKZTSQ-UHFFFAOYSA-N;85.07;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96814;MM96814;CC#Cc1cnn(N)c1O;JLCKTYUOIIZQAY-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96815;MM96815;Cn1nccn1;NGCXHCGUQHIOLZ-UHFFFAOYSA-N;83.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96816;MM96816;Cn1ncnn1;VRESBNUEIKZECD-UHFFFAOYSA-N;84.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96817;MM96817;C=C1C=CC=C1;PGTKVMVZBBZCKQ-UHFFFAOYSA-N;78.11;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96818;MM96818;O=C1C=CC=C1;FQQOMPOPYZIROF-UHFFFAOYSA-N;80.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96819;MM96819;O=C1C=CN=C1;INTJZENRAYCATA-UHFFFAOYSA-N;81.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96820;MM96820;C=C1C=NN=C1;IEZXRRPFPCSZIF-UHFFFAOYSA-N;80.09;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96821;MM96821;O=C1C=NN=C1;OYODOQNYJLSLJE-UHFFFAOYSA-N;82.06;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96822;MM96822;N=C1C=CC=N1;IJUJQZNGLZFJGP-UHFFFAOYSA-N;80.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96823;MM96823;O=C1C=CC=N1;VIXWGKYSYIBATJ-UHFFFAOYSA-N;81.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96824;MM96824;N=C1C=NC=N1;RPTCUOGRHYVLHS-UHFFFAOYSA-N;81.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96825;MM96825;O=C1C=NC=N1;JLXZMLLNPNOODV-UHFFFAOYSA-N;82.06;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96826;MM96826;N=C1N=CC=N1;PFRDRCIPKPEULG-UHFFFAOYSA-N;81.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96827;MM96827;O=C1N=CC=N1;WZELXJBMMZFDDU-UHFFFAOYSA-N;82.06;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96828;MM96828;CC1=CCCC1;ATQUFXWBVZUTKO-UHFFFAOYSA-N;82.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96829;MM96829;FC1=CCCC1;IFRIJEKNVVMZBB-UHFFFAOYSA-N;86.11;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96830;MM96830;CC1=COCC1;FWGYRFWKBWPRJD-UHFFFAOYSA-N;84.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96831;MM96831;FC1=COCC1;CORVYSMVLQPSOF-UHFFFAOYSA-N;88.08;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96832;MM96832;CC1=CCNC1;DTPFSSOXQXWKEV-UHFFFAOYSA-N;83.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96833;MM96833;CC1=CCOC1;GSDYNJRRFBBEJS-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96834;MM96834;FC1=CCOC1;FKGBPPMRZYEWPT-UHFFFAOYSA-N;88.08;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96835;MM96835;CC1=NNCC1;MWCHLFKQTXSQJV-UHFFFAOYSA-N;84.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96836;MM96836;CC1=NOCC1;JHCKZGSCVJRFHY-UHFFFAOYSA-N;85.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96837;MM96837;CC1=NCCN1;VWSLLSXLURJCDF-UHFFFAOYSA-N;84.12;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96838;MM96838;CC1=CCCO1;BGCWDXXJMUHZHE-UHFFFAOYSA-N;84.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96839;MM96839;CC1=COCO1;OHGDYNKEHUBFCC-UHFFFAOYSA-N;86.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96840;MM96840;CC1=NOCO1;SSIZNAQIMBBKRU-UHFFFAOYSA-N;87.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96841;MM96841;CC1=CC=CC1;NFWSQSCIDYBUOU-UHFFFAOYSA-N;80.13;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96842;MM96842;FC1=CC=CC1;BKCDSYUMWOBEJI-UHFFFAOYSA-N;84.09;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96843;MM96843;CC1=NN=CC1;YGPWFAWENNBZQA-UHFFFAOYSA-N;82.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96844;MM96844;Cc1ccc[nH]1;TVCXVUHHCUYLGX-UHFFFAOYSA-N;81.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96845;MM96845;Nc1ccnc(=NO)n1O;HZESYWTVBPVIRO-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96846;MM96846;Oc1ccc[nH]1;WLODWTPNUWYZKN-UHFFFAOYSA-N;83.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96847;MM96847;Fc1ccc[nH]1;CVCDRFTUJQLDOH-UHFFFAOYSA-N;85.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96848;MM96848;Fc1c[nH]cn1;HWUPTWDARIVICI-UHFFFAOYSA-N;86.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96849;MM96849;CN=Cn1cnc(O)c1;UCCYMAFMRNUBMF-UHFFFAOYSA-N;125.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96850;MM96850;CCc1cc(O)n[nH]1;OBTFNIOWJJRVQV-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96851;MM96851;Fc1cc[nH]n1;WNDHCIJGEKNYNF-UHFFFAOYSA-N;86.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96852;MM96852;Cc1cnn[nH]1;GVSNQMFKEPBIOY-UHFFFAOYSA-N;83.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96853;MM96853;Nc1cnn[nH]1;JSIAIROWMJGMQZ-UHFFFAOYSA-N;84.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96854;MM96854;Cc1[nH]n(N)c(=O)c1C;FMUMVSYCGIJIPX-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96855;MM96855;N#Cc1c[nH]oc1=O;LTUVOYGARVWCBK-UHFFFAOYSA-N;110.07;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96856;MM96856;Nc1ncc[nH]1;DEPDDPLQZYCHOH-UHFFFAOYSA-N;83.09;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96857;MM96857;Oc1ncc[nH]1;AICIYIDUYNFPRY-UHFFFAOYSA-N;84.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96858;MM96858;Cc1nc[nH]n1;PZKFSRWSQOQYNR-UHFFFAOYSA-N;83.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96859;MM96859;CN=c1[nH]c(C=O)cn1O;HVQLAZOOVNAJCA-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96860;MM96860;Nc1ncn[nH]1;KLSJWNVTNUYHDU-UHFFFAOYSA-N;84.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96861;MM96861;C=C1C=C(C#N)NC1=O;BXDMYWHUQKLVPZ-UHFFFAOYSA-N;120.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96862;MM96862;COc1nnoc(=O)c1O;UBIURNJTRDSZRD-UHFFFAOYSA-N;144.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96863;MM96863;CN(C)c1n[nH]c(=O)n1O;AYAMOLLVWDDTMP-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96864;MM96864;Cc1cnn2c(=O)[nH]oc12;GAJBUHMFLCCUOL-UHFFFAOYSA-N;139.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96865;MM96865;Cc1ccco1;VQKFNUFAXTZWDK-UHFFFAOYSA-N;82.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96866;MM96866;Nc1ccco1;UTVVREMVDJTZAC-UHFFFAOYSA-N;83.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96867;MM96867;Fc1ccco1;ZPUVAVPHTZUONL-UHFFFAOYSA-N;86.07;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96868;MM96868;Cc1cnco1;ZYMHCFYHVYGFMS-UHFFFAOYSA-N;83.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96869;MM96869;NCC1=NNC(=NO)NO1;VTIIPJCAQVNVCZ-UHFFFAOYSA-N;145.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96870;MM96870;O=CC(=NO)OC(=O)CO;NUAJRXXNJJVLSF-UHFFFAOYSA-N;147.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96871;MM96871;Fc1cnco1;RCMWVFZEQLWQDG-UHFFFAOYSA-N;87.05;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96872;MM96872;Cc1ccno1;AGQOIYCTCOEHGR-UHFFFAOYSA-N;83.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96873;MM96873;N=c1cc[nH]o1;DBUHUVJWFAELTN-UHFFFAOYSA-N;84.08;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96874;MM96874;CC(=O)C(=NO)OC=O;VHHMDSUJBYIJAD-UHFFFAOYSA-N;131.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96875;MM96875;Fc1ccno1;BCGBEBBYOPPVAD-UHFFFAOYSA-N;87.05;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96876;MM96876;Cc1cnno1;DTPVPPNIFJCNCA-UHFFFAOYSA-N;84.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96877;MM96877;Nc1cnno1;GSKDBLIBBOYOFU-UHFFFAOYSA-N;85.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96878;MM96878;CCc1cc(O)c(F)o1;FCXMXEYEWFNFRW-UHFFFAOYSA-N;130.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96879;MM96879;Fc1cnno1;GYKBYROAIMMUCC-UHFFFAOYSA-N;88.04;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96880;MM96880;Cc1ncco1;ZCHCHJQEWYIJDQ-UHFFFAOYSA-N;83.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96881;MM96881;Cc1coc(=NN)[nH]1;ZVTDJSZQXXXIJT-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96882;MM96882;Fc1ncco1;LQOLLDWVUIZTAW-UHFFFAOYSA-N;87.05;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96883;MM96883;Cc1nnco1;ZMSIFDIKIXVLDF-UHFFFAOYSA-N;84.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96884;MM96884;Nc1nnco1;APKZPKINPXTSNL-UHFFFAOYSA-N;85.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96885;MM96885;CC#Cc1coc(O)c1;JVBGJDHXUYYREQ-UHFFFAOYSA-N;122.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96886;MM96886;Fc1nnco1;XXLDXTLXWHCPCD-UHFFFAOYSA-N;88.04;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96887;MM96887;Cc1ncno1;RGTBLCLLSZPOKR-UHFFFAOYSA-N;84.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96888;MM96888;Nc1ncno1;ADHDUTITAKAASJ-UHFFFAOYSA-N;85.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96889;MM96889;O=c1on(CCO)nc1O;WTFUOOSIFYWVJP-UHFFFAOYSA-N;146.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96890;MM96890;Fc1ncno1;KPBYSUJLSWPZTM-UHFFFAOYSA-N;88.04;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96891;MM96891;Cc1nnno1;IFBUREDCXVEQFT-UHFFFAOYSA-N;85.07;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96892;MM96892;Nc1nnno1;QPTISOPQFLIZCY-UHFFFAOYSA-N;86.05;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96893;MM96893;COC(=NO)C(F)=CC#N;QSTZGAPAJTYOLE-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96894;MM96894;Fc1nnno1;GSZBCIGNWOAFRN-UHFFFAOYSA-N;89.03;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96895;MM96895;CC1=CCC=C1;AHQZRFBZJSCKAV-UHFFFAOYSA-N;80.13;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96896;MM96896;FC1=CCC=C1;JFXSJOXLWREODN-UHFFFAOYSA-N;84.09;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96897;MM96897;Cc1cc[nH]c1;FEKWWZCCJDUWLY-UHFFFAOYSA-N;81.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96898;MM96898;Cn1nnc(N)c(O)c1=N;QIYKDTMUYUVSCB-UHFFFAOYSA-N;141.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96899;MM96899;Fc1cc[nH]c1;XMMFKXRGHKXAGG-UHFFFAOYSA-N;85.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96900;MM96900;Cc1ccoc1;KJRRQXYWFQKJIP-UHFFFAOYSA-N;82.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96901;MM96901;Nc1ccoc1;MUGLENOZWVKNRY-UHFFFAOYSA-N;83.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96902;MM96902;Fc1ccoc1;HAJLBMYQEZHEBM-UHFFFAOYSA-N;86.07;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96903;MM96903;N=c1[nH]oc2ncc(N)n12;YJLWNVBDBOYFGE-UHFFFAOYSA-N;139.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96904;MM96904;CN(C)C1CC(C#N)C1=O;VOZGCCLIYRVHAD-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96905;MM96905;Fc1cn[nH]c1;RYXJXPHWRBWEEB-UHFFFAOYSA-N;86.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96906;MM96906;Cc1cnoc1;VHWFNFITHSPBSR-UHFFFAOYSA-N;83.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96907;MM96907;Nc1cnoc1;CVCYZCBJCQXUCN-UHFFFAOYSA-N;84.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96908;MM96908;Fc1cnoc1;WLAWZTJRKADHFE-UHFFFAOYSA-N;87.05;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96909;MM96909;Cc1ccon1;CUMCMYMKECWGHO-UHFFFAOYSA-N;83.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96910;MM96910;Fc1ccon1;NRGKMKILWIVZJM-UHFFFAOYSA-N;87.05;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96911;MM96911;Cc1c[nH]nn1;GVSNQMFKEPBIOY-UHFFFAOYSA-N;83.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96912;MM96912;Cc1cnon1;WBILDQZWYMFRNR-UHFFFAOYSA-N;84.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96913;MM96913;Fc1cnon1;FYFVCJGJULFKEA-UHFFFAOYSA-N;88.04;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96914;MM96914;Cc1cocn1;PUMREIFKTMLCAF-UHFFFAOYSA-N;83.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96915;MM96915;N=c1c(O)cc(N)nn1N;CLUBAQFBPYRNLY-UHFFFAOYSA-N;141.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96916;MM96916;Fc1cocn1;AAZBCSGNBHLRLG-UHFFFAOYSA-N;87.05;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96917;MM96917;COCC(=NO)OC=O;AFPXKIUAGXNPKX-UHFFFAOYSA-N;133.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96918;MM96918;Cc1conn1;DGHJKOUXAHNRAP-UHFFFAOYSA-N;84.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96919;MM96919;Nc1conn1;WHLAXDUXKMECTM-UHFFFAOYSA-N;85.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96920;MM96920;C#CC#CC(CC#N)=NO;ISNKNOGGGYKSQG-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96921;MM96921;Fc1conn1;UFFFYXUJIZSDDI-UHFFFAOYSA-N;88.04;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96922;MM96922;Cc1ncon1;FZAXBPZVVJOFKX-UHFFFAOYSA-N;84.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96923;MM96923;Nc1ncon1;XWESVPXIDGLPNX-UHFFFAOYSA-N;85.07;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96924;MM96924;CNc1nnc(C)c(=O)[nH]1;HAJJPXKPVXAQBR-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96925;MM96925;ON=C(CF)CC1CO1;LDDUOQYGYULLFL-UHFFFAOYSA-N;133.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96926;MM96926;N#CC(C=NO)NC=O;LVOIXVVAUUMMNV-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96927;MM96927;Cc1nnon1;MLLLRLNPJUWLEK-UHFFFAOYSA-N;85.07;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96928;MM96928;Nc1nnon1;KHHGZRHWXPSPEU-UHFFFAOYSA-N;86.05;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96929;MM96929;C=Cc1c[nH]n(C=O)c1=N;ZIFJIMDREKDELB-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96930;MM96930;OC1C(F)C1F;LEJBAKZBKUBTSE-UHFFFAOYSA-N;94.06;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96931;MM96931;FC1C(F)C1F;CUZPFBIURYEASM-UHFFFAOYSA-N;96.05;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96932;MM96932;NCCCCO;BLFRQYKZFKYQLO-UHFFFAOYSA-N;89.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96933;MM96933;CNCCCO;KRGXWTOLFOPIKV-UHFFFAOYSA-N;89.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96934;MM96934;CNCCNC;KVKFRMCSXWQSNT-UHFFFAOYSA-N;88.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96935;MM96935;CCOCCF;WIQLYQAPUOHSFI-UHFFFAOYSA-N;92.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96936;MM96936;N=CNCCO;WGDHFJWACWVXCY-UHFFFAOYSA-N;88.11;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96937;MM96937;O=CNCCF;RADRVKFGDZJOTC-UHFFFAOYSA-N;91.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96938;MM96938;NCCOC=O;PMAVNOVGZITZCT-UHFFFAOYSA-N;89.09;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96939;MM96939;C=COCCF;FPFVPEGEWVRCGK-UHFFFAOYSA-N;90.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96940;MM96940;N=CNNC=O;ZXCHUIPHPHOGHZ-UHFFFAOYSA-N;87.08;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96941;MM96941;CC=CCCF;XWJRCNQFQUBEAV-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96942;MM96942;NCCC=NO;OKODGBONVLEJGG-UHFFFAOYSA-N;88.11;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96943;MM96943;COCC=CF;SNCQRRSMOBKOJC-UHFFFAOYSA-N;90.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96944;MM96944;CCN=CNN;NFJCBEFAEJJAKK-UHFFFAOYSA-N;87.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96945;MM96945;CCOC=CF;BAYBQEHWCABAGR-UHFFFAOYSA-N;90.1;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96946;MM96946;C=CCC=CF;FOYLMZUXYHEHFK-UHFFFAOYSA-N;86.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96947;MM96947;N=CNC=CF;LRZKWPLMLRVITO-UHFFFAOYSA-N;88.09;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96948;MM96948;O=CNC=CF;KGGVBLBJIKIOAB-UHFFFAOYSA-N;89.07;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96949;MM96949;O=CNC=NO;IWPULIMDOVKQMP-UHFFFAOYSA-N;88.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96950;MM96950;O=COC=NO;YYBQATQXTNDLKT-UHFFFAOYSA-N;89.05;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96951;MM96951;FC=CC=CF;RXJPYUWYMSTJKF-UHFFFAOYSA-N;90.07;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96952;MM96952;CC=CC=NN;OEUOBUJIMQGSSF-UHFFFAOYSA-N;84.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96953;MM96953;CCC=CCO;BTSIZIIPFNVMHF-UHFFFAOYSA-N;86.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96954;MM96954;CCC=CCF;NNEHUKSSIOGPFD-UHFFFAOYSA-N;88.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96955;MM96955;NCC=CCO;VVBVTZZZFFHHSP-UHFFFAOYSA-N;87.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96956;MM96956;OCC=CCO;ORTVZLZNOYNASJ-UHFFFAOYSA-N;88.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96957;MM96957;CCC=COC;KMQWOHBEYVPGQJ-UHFFFAOYSA-N;86.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96958;MM96958;CN=C(ONC=O)N(C)N;QPEUITCWPCOACV-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96959;MM96959;CON=CC=O;LLODBRYEHXDCRL-UHFFFAOYSA-N;87.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96960;MM96960;CCC1CCC1;NEZRFXZYPAIZAD-UHFFFAOYSA-N;84.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96961;MM96961;NCC1CCC1;LQNHRNOPWKZUSN-UHFFFAOYSA-N;85.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96962;MM96962;NN=c1[nH]c(O)c(O)n1N;PRXFOLAHYINLBW-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96963;MM96963;FCC1CCC1;DVWNEKRVAURHBQ-UHFFFAOYSA-N;88.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96964;MM96964;CNC1CCC1;JSIGUUUNVYUWQT-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96965;MM96965;COC1CCC1;GDTFIRYHAYIXIP-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96966;MM96966;CCC1CNC1;YEJFTVJRCUPIOV-UHFFFAOYSA-N;85.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96967;MM96967;NCC1CNC1;VMAXJDJIFGIBGH-UHFFFAOYSA-N;86.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96968;MM96968;OCC1CNC1;GNVWVYIAQBJHGV-UHFFFAOYSA-N;87.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96969;MM96969;FCC1CNC1;XHELGHANYVVRLW-UHFFFAOYSA-N;89.11;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96970;MM96970;CNC1CNC1;NQPTWMKTGPWPMX-UHFFFAOYSA-N;86.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96971;MM96971;COC1CNC1;AVPAYFOQPGPSCC-UHFFFAOYSA-N;87.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96972;MM96972;CCC1COC1;CGRJJOYCFCCGPX-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96973;MM96973;NCC1COC1;KTHZBRAXOLUNBN-UHFFFAOYSA-N;87.12;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96974;MM96974;OCC1COC1;SWYHWLFHDVMLHO-UHFFFAOYSA-N;88.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96975;MM96975;FCC1COC1;VMUYRXLDLPVAPH-UHFFFAOYSA-N;90.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96976;MM96976;CNC1COC1;JUIXJPRSYHSLHK-UHFFFAOYSA-N;87.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96977;MM96977;COC1COC1;WCPLWTYNTSHPIU-UHFFFAOYSA-N;88.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96978;MM96978;CCC1CCN1;NZZNMDNKJVUJAL-UHFFFAOYSA-N;85.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96979;MM96979;NCC1CCN1;MRYNEEIGLSDRKH-UHFFFAOYSA-N;86.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96980;MM96980;OCC1CCN1;FTWWNKCHSPDIQW-UHFFFAOYSA-N;87.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96981;MM96981;FCC1CCN1;FJEHOKRORRMMCC-UHFFFAOYSA-N;89.11;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96982;MM96982;CCC1CCO1;GDHROTCPZLVPJT-UHFFFAOYSA-N;86.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96983;MM96983;NCC1CCO1;QDEFNAHLCTUWAH-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96984;MM96984;OCC1CCO1;PQZJTHGEFIQMCO-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96985;MM96985;FCC1CCO1;SPXSVPZPJGGYOR-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96986;MM96986;CCN1CCC1;ZEZOIRFVLXEXBC-UHFFFAOYSA-N;85.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96987;MM96987;C=CC1CCC1;SQZFVNSRRPRBQP-UHFFFAOYSA-N;82.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96988;MM96988;O=CC1CCC1;INVYSLWXPIEDIQ-UHFFFAOYSA-N;84.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96989;MM96989;N#CC1CCC1;GFBLFDSCAKHHGX-UHFFFAOYSA-N;81.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96990;MM96990;C=CC1CNC1;AVFCJUOQCOXIGQ-UHFFFAOYSA-N;83.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96991;MM96991;O=CC1CNC1;ZWNNNSPVWRKCKH-UHFFFAOYSA-N;85.11;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96992;MM96992;C=CC1COC1;ZBNINTSJLCOGLO-UHFFFAOYSA-N;84.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96993;MM96993;O=CC1COC1;FYCBRGMZDWYEHI-UHFFFAOYSA-N;86.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96994;MM96994;N#CC1COC1;PXDVPPINZKNVNF-UHFFFAOYSA-N;83.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96995;MM96995;C=CC1CCN1;AYJIVPQVCPWOPT-UHFFFAOYSA-N;83.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96996;MM96996;O=CC1CCN1;UURYMQZUWSZKPB-UHFFFAOYSA-N;85.11;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96997;MM96997;N#CC1CCN1;CPFVGUFLDVAAHL-UHFFFAOYSA-N;82.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96998;MM96998;C=CC1CCO1;UFAKDGLOFJXMEN-UHFFFAOYSA-N;84.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM96999;MM96999;O=CC1CCO1;WDXAOIHMPDWQIU-UHFFFAOYSA-N;86.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97000;MM97000;N#CC1CCO1;SHMLZNJGRQRUSC-UHFFFAOYSA-N;83.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97001;MM97001;N=CN1CCC1;WGCQFWIAHAPPKB-UHFFFAOYSA-N;84.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97002;MM97002;O=CN1CCC1;SVTPHAFLJUCRLW-UHFFFAOYSA-N;85.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97003;MM97003;C=NN1CCC1;LFPGZRXPFLLEGQ-UHFFFAOYSA-N;84.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97004;MM97004;C#CC1CCC1;GAXSIWLVORHPTJ-UHFFFAOYSA-N;80.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97005;MM97005;C#CC1CNC1;SOXIPNKHMJEZMN-UHFFFAOYSA-N;81.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97006;MM97006;C#CC1COC1;XUMRITXCAKXWFU-UHFFFAOYSA-N;82.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97007;MM97007;C#CC1CCN1;ZZDARAJSBNOCGZ-UHFFFAOYSA-N;81.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97008;MM97008;C#CC1CCO1;ADMZVQKLKIHRLR-UHFFFAOYSA-N;82.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97009;MM97009;FCCC1CC1;DAGWSDFKLAQZJR-UHFFFAOYSA-N;88.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97010;MM97010;COCC1CC1;XZUHEKNCBBQEBT-UHFFFAOYSA-N;86.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97011;MM97011;OCCC1CO1;AVSUMWIDHQEMPD-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97012;MM97012;FCCC1CO1;MDPSBWDPRCYNMQ-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97013;MM97013;COCC1CO1;LKMJVFRMDSNFRT-UHFFFAOYSA-N;88.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97014;MM97014;CC1=NC(=O)CC(=N)N1N;RBBKTUNHXIDAQE-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97015;MM97015;FCCN1CC1;CFQIQOSJHMDRHI-UHFFFAOYSA-N;89.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97016;MM97016;C=CCc1c[nH]c(=NN)o1;FYCXKCABAQSRAA-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97017;MM97017;O=CNN1CC1;WFDLFUCIXLGJKF-UHFFFAOYSA-N;86.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97018;MM97018;FC=CC1CC1;XDXUIILZOHDACY-UHFFFAOYSA-N;86.11;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97019;MM97019;ON=CC1CC1;XQDANBKPALOMEF-UHFFFAOYSA-N;85.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97020;MM97020;FC=CC1CO1;IMIRWYAFWOUCHQ-UHFFFAOYSA-N;88.08;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97021;MM97021;CC1CC1CF;XIBXZMBFIUQURO-UHFFFAOYSA-N;88.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97022;MM97022;NC1CC1CO;YACWILRABGNJKG-UHFFFAOYSA-N;87.12;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97023;MM97023;NC1CC1CF;PIOKPDRPYVKYRL-UHFFFAOYSA-N;89.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97024;MM97024;CN=C(NN)ONC=O;ALWAKHNTMJDFGJ-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97025;MM97025;NCC1CC1O;LRMDQQAPJXPWPS-UHFFFAOYSA-N;87.12;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97026;MM97026;OC1CC1CF;VMUHCYZNETXGLV-UHFFFAOYSA-N;90.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97027;MM97027;CCC1CC1F;PDUJPCBHGQMGIR-UHFFFAOYSA-N;88.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97028;MM97028;NCC1CC1F;FJMDPUBWXXHDEU-UHFFFAOYSA-N;89.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97029;MM97029;OCC1CC1F;ZRQVQDAWPHHSMU-UHFFFAOYSA-N;90.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97030;MM97030;FCC1CC1F;CXPCWNLIKSVJCD-UHFFFAOYSA-N;92.09;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97031;MM97031;COC1CC1O;IBHHQAVKBOJGSJ-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97032;MM97032;COC1CC1F;CPBKNVCXFOUZFI-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97033;MM97033;CC1NC1CF;HJOUKWLOCMCFBY-UHFFFAOYSA-N;89.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97034;MM97034;CC1OC1CN;DQFJZBVPOLGQMB-UHFFFAOYSA-N;87.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97035;MM97035;CC1OC1CO;QQHZNUPEBVRUFO-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97036;MM97036;CC1OC1CF;SSSDNSPUNGBEKR-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97037;MM97037;CCN(N)C=NOC=NO;HASLOLANORJMBJ-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97038;MM97038;CN1CC1CF;VOPSIQKHBNCKOQ-UHFFFAOYSA-N;89.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97039;MM97039;C=CC1CC1F;FNTDIFIAKLZSJO-UHFFFAOYSA-N;86.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97040;MM97040;O=CC1CC1F;KQRXEQPHXJGWGQ-UHFFFAOYSA-N;88.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97041;MM97041;N#CC1CC1F;KWUDEALSRGHQIP-UHFFFAOYSA-N;85.08;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97042;MM97042;CC1OC1C=O;KAUFURBKZOMSKM-UHFFFAOYSA-N;86.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97043;MM97043;CC(F)C1CC1;HDGGACUUOSAWJS-UHFFFAOYSA-N;88.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97044;MM97044;FC(F)C1CC1;CYHDBQJCEKTXSH-UHFFFAOYSA-N;92.09;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97045;MM97045;CC(F)C1CN1;IRLWGSMVLUSZEI-UHFFFAOYSA-N;89.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97046;MM97046;FC(F)C1CN1;PEHAHZGXJVLKKY-UHFFFAOYSA-N;93.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97047;MM97047;CC(O)C1CO1;LEJLUUHSOFWJSW-UHFFFAOYSA-N;88.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97048;MM97048;CC(F)C1CO1;SFYPZBAGHUZBTH-UHFFFAOYSA-N;90.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97049;MM97049;FC(F)C1CO1;FTCQYMALCXGFFQ-UHFFFAOYSA-N;94.06;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97050;MM97050;O=C(O)C1CC1;YMGUBTXCNDTFJI-UHFFFAOYSA-N;86.09;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97051;MM97051;N=CN(N)C(C=NO)=NO;IMHJIPVDRBAWET-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97052;MM97052;C=C(F)C1CN1;RYPJMNBOGOGKOS-UHFFFAOYSA-N;87.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97053;MM97053;CC(=O)C1CO1;YBWJKTAELMMCHQ-UHFFFAOYSA-N;86.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97054;MM97054;N=C(N)C1CO1;DIBVRUMUNCRNCX-UHFFFAOYSA-N;86.09;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97055;MM97055;NC(=O)C1CO1;FMAZQSYXRGRESX-UHFFFAOYSA-N;87.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97056;MM97056;C=Nn1ccn(O)c1=O;RNHKWBYRRKHZOE-UHFFFAOYSA-N;127.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97057;MM97057;C=C(F)C1CO1;NEPNZAHXLBBEHO-UHFFFAOYSA-N;88.08;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97058;MM97058;C1CC1C1CC1;PGPFRBIKUWKSTJ-UHFFFAOYSA-N;82.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97059;MM97059;C1CC1C1CO1;ILUWUBMXUOXRFY-UHFFFAOYSA-N;84.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97060;MM97060;C1OC1C1CO1;ZFIVKAOQEXOYFY-UHFFFAOYSA-N;86.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97061;MM97061;CCCC(C)(C)C;CXOWYJMDMMMMJO-UHFFFAOYSA-N;100.21;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97062;MM97062;CC(C)(C)CCN;GPWHFPWZAPOYNO-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97063;MM97063;NC=NC(=NO)OCC=O;KTSXKSANRCBPMA-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97064;MM97064;CC(C)(C)CCF;NQEBYUWPMHVITD-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97065;MM97065;CCCC(C)(C)N;KPNJYXKRHWAPHP-UHFFFAOYSA-N;101.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97066;MM97066;CCCC(C)(C)F;JSYWPBHDBBDHKQ-UHFFFAOYSA-N;104.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97067;MM97067;CC(C)(F)CCO;NKLHCCFXZGKXFE-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97068;MM97068;CC(C)(F)CCF;RIHWDKAOZZWQCU-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97069;MM97069;CCCC(C)(F)F;QSWGSLWFQDIXSH-UHFFFAOYSA-N;108.13;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97070;MM97070;CC(F)(F)CCO;FCLPSCFWTARLNR-UHFFFAOYSA-N;110.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97071;MM97071;CCCC(F)(F)F;LDRPULCXZDDSGE-UHFFFAOYSA-N;112.09;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97072;MM97072;OCCC(F)(F)F;HDBGBTNNPRCVND-UHFFFAOYSA-N;114.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97073;MM97073;FCCC(F)(F)F;PFFGXVGPSGJOBV-UHFFFAOYSA-N;116.06;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97074;MM97074;CNCC(C)(C)C;UQGXHNDRCRTZAC-UHFFFAOYSA-N;101.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97075;MM97075;CNCC(F)(F)F;XZYJNHZNHGUSNY-UHFFFAOYSA-N;113.08;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97076;MM97076;COCC(C)(C)C;JILHZKWLEAKYRC-UHFFFAOYSA-N;102.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97077;MM97077;COCC(C)(C)O;MXUXZWFVAPTPAG-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97078;MM97078;COCC(C)(C)F;CKGKRBRZRBPZPW-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97079;MM97079;CCNC(C)(C)C;XQOIBQBPAXOVGP-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97080;MM97080;CCOC(C)(C)C;NUMQCACRALPSHD-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97081;MM97081;C=CCC(C)(C)C;KLCNJIQZXOQYTE-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97082;MM97082;CC(C)(C)CC=O;LTNUSYNQZJZUSY-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97083;MM97083;CC(C)(C)CC#N;XFOWYEKVIRMOBI-UHFFFAOYSA-N;97.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97084;MM97084;C=CCC(C)(C)N;IGQKKHDDJXCEFL-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97085;MM97085;CN=c1oc(O)c(N)n1N;ZTACNDZVOZZWPG-UHFFFAOYSA-N;144.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97086;MM97086;C=CCC(C)(C)F;MHHGQWXCFNIFLL-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97087;MM97087;CC(C)(F)CC#N;RHEGWPHXFIRZBQ-UHFFFAOYSA-N;101.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97088;MM97088;C=CCC(C)(F)F;UTBRHICUJBAXLW-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97089;MM97089;C=CCC(F)(F)F;WCNKHTIPPVQEQW-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97090;MM97090;O=CCC(F)(F)F;UTMIEQASUFFADK-UHFFFAOYSA-N;112.05;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97091;MM97091;CC(C)(C)NC=N;SMRGCMLEAAXFFD-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97092;MM97092;C=COC(C)(C)C;PGYJSURPYAAOMM-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97093;MM97093;CC(C)(C)OC=O;RUPAXCPQAAOIPB-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97094;MM97094;C=NOC(C)(C)C;DLGCQBHUNILHTR-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97095;MM97095;C#CCC(C)(C)C;KHBYKPSFBHWBJQ-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97096;MM97096;C#CCC(C)(C)N;ZAPAQFJLEIQNEX-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97097;MM97097;N=c1[nH]oc2cc(N)nn12;SHGAHAVBIMXRBW-UHFFFAOYSA-N;139.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97098;MM97098;C#CCC(C)(C)F;IPJFFXICTYPZRK-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97099;MM97099;C#CCC(C)(F)F;KFOJFBWIYPSGQC-UHFFFAOYSA-N;104.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97100;MM97100;C#CCC(F)(F)F;ULMAEEOQIXDBIZ-UHFFFAOYSA-N;108.06;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97101;MM97101;CC=CC(C)(C)C;BIDIHFPLDRSAMB-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97102;MM97102;CC(C)(C)C=CF;MKFGAUYSRZJAGF-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97103;MM97103;CC=CC(C)(C)N;CJFQVOXPPCRHIC-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97104;MM97104;CC(C)(O)C=CF;GSTRXFKVAXQJNX-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97105;MM97105;CC=CC(C)(C)F;WMKXSDYDPWQZCY-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97106;MM97106;CC(C)(F)C=CF;KNGLYMRJZAYUKT-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97107;MM97107;CC=CC(C)(F)F;MACUVWJMFYYICB-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97108;MM97108;CC(F)(F)C=CF;RYDLGPJXAOFJND-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97109;MM97109;CC=CC(F)(F)F;ICTYZHTZZOUENE-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97110;MM97110;FC=CC(F)(F)F;CDOOAUSHHFGWSA-UHFFFAOYSA-N;114.04;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97111;MM97111;CC(C)(C)C=NN;NBTSHRMSSUSOBM-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97112;MM97112;CC(C)(C)C=NO;OEFVJAZWSLPDEP-UHFFFAOYSA-N;101.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97113;MM97113;CC(C)(F)C=NN;NKTGOLAIXNQZIO-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97114;MM97114;Nc1[nH]c(=NO)oc1F;MXVUHWPRFNRQLQ-UHFFFAOYSA-N;133.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97115;MM97115;CC#CC(C)(C)F;SPTFRFBDRXYMBT-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97116;MM97116;CC#CC(C)(F)F;NJNDVSOXAYZBDQ-UHFFFAOYSA-N;104.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97117;MM97117;CC#CC(F)(F)F;BBQAMNUTJMWOJZ-UHFFFAOYSA-N;108.06;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97118;MM97118;N=C(NNC=O)OC=NO;HYIJNGWTJPNWHL-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97119;MM97119;CC(F)C(C)(C)C;AOBXEFKIIYQSSJ-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97120;MM97120;CC(C)(C)C(F)F;WGVASPVXNWNDJJ-UHFFFAOYSA-N;108.13;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97121;MM97121;CC(N)C(C)(C)F;OXVLZOYJHJXSBM-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97122;MM97122;CC(O)C(C)(C)F;ZLKPVVZVRZPBQM-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97123;MM97123;CC(F)C(C)(C)F;MUAQWCQCBTYAPQ-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97124;MM97124;CC(C)(F)C(F)F;JQIHYYDUQHOTPN-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97125;MM97125;CC(C)C(C)(F)F;WTFQLRFJNHTEIC-UHFFFAOYSA-N;108.13;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97126;MM97126;CC(O)C(C)(F)F;JQSJYSAELGZWIX-UHFFFAOYSA-N;110.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97127;MM97127;CC(F)C(C)(F)F;ZHDXQPWRQLEOED-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97128;MM97128;CC(F)(F)C(F)F;XWUSALIIUZARQE-UHFFFAOYSA-N;116.06;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97129;MM97129;CC(C)C(F)(F)F;QXALUNHYJJONQH-UHFFFAOYSA-N;112.09;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97130;MM97130;CC(F)C(F)(F)F;INEMUVRCEAELBK-UHFFFAOYSA-N;116.06;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97131;MM97131;FC(F)C(F)(F)F;GTLACDSXYULKMZ-UHFFFAOYSA-N;120.02;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97132;MM97132;CC(C)(C)C(=N)N;FNHMJTUQUPQWJN-UHFFFAOYSA-N;100.17;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Pivalic Acid";MM00683;CC(C)(C)C(=O)O;IUGYQRQAERSCNH-UHFFFAOYSA-N;102.13;1.12;6417;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97133;MM97133;C=C(F)C(C)(C)C;TZVHDAGHAYGYTO-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97134;MM97134;CC(C)(N)C(N)=O;ZIOBGZDFMKCKGZ-UHFFFAOYSA-N;102.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97135;MM97135;CC(C)(O)C(=N)N;HVCIFMASZMODAI-UHFFFAOYSA-N;102.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97136;MM97136;CC(C)(O)C(N)=O;DRYMMXUBDRJPDS-UHFFFAOYSA-N;103.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97137;MM97137;CC(C)(F)C(=O)O;NZDOWZQRNZLBOY-UHFFFAOYSA-N;106.1;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97138;MM97138;C=C(F)C(C)(C)F;KYXGWBBGRMVURI-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97139;MM97139;C=C(C)C(C)(F)F;KUNJFGCQCCDAAR-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97140;MM97140;C=C(F)C(C)(F)F;VXKZRIHWYAUMFA-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97141;MM97141;C=C(C)C(F)(F)F;VJOAJCOCCYFXPR-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97142;MM97142;CC(=O)C(F)(F)F;FHUDAMLDXFJHJE-UHFFFAOYSA-N;112.05;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97143;MM97143;C=C(F)C(F)(F)F;FXRLMCRCYDHQFW-UHFFFAOYSA-N;114.04;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97144;MM97144;CC(C)CC(C)C;BZHMBWZPUJHVEE-UHFFFAOYSA-N;100.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97145;MM97145;CC(C)CC(C)N;UNBMPKNTYKDYCG-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97146;MM97146;CC(O)C(=NO)C(=N)NN;CRPUGIDROCWGNP-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97147;MM97147;CC(C)CC(C)F;BYHGATRUPQLTMH-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97148;MM97148;CC(C)CC(F)F;GLBJEBQCIZKKHA-UHFFFAOYSA-N;108.13;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97149;MM97149;CC(O)CC(C)F;JBALFAVSZHYFAI-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97150;MM97150;CC(F)CC(C)F;XCOBDKDPJMSNPJ-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97151;MM97151;CC(C)CN(C)C;GDHRQDYGUDOEIZ-UHFFFAOYSA-N;101.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97152;MM97152;C=C(C)CC(C)C;LXQPBCHJNIOMQU-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97153;MM97153;CC(=O)CC(C)C;NTIZESTWPVYFNL-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Isovaleric Acid";MM00659;CC(C)CC(=O)O;GWYFCOCPABKNJV-UHFFFAOYSA-N;102.13;1.12;10430;DB03750;IVA;CHEMBL568737;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97154;MM97154;C=C(F)CC(C)C;SANHVLAYXIQUQF-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97155;MM97155;C=C(C)CC(C)N;RJNXBJFZMAXWEV-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97156;MM97156;CC(N)CC(=N)N;SDMBYTJQMSLXAZ-UHFFFAOYSA-N;101.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97157;MM97157;CC(N)CC(N)=O;OTVXVVYHNZUDSN-UHFFFAOYSA-N;102.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97158;MM97158;C=C(F)CC(C)N;YPVZIIKIYDZSDV-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97159;MM97159;Cc1cnc2o[nH]c(=N)n12;PDYOYYNNOWVKEG-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97160;MM97160;CC(O)CC(=N)N;DAGCUVPHHWGZPF-UHFFFAOYSA-N;102.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97161;MM97161;CC(O)CC(N)=O;OOHIGOIEQKKEPK-UHFFFAOYSA-N;103.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97162;MM97162;C=C(F)CC(C)O;IYSVKGQBPUXLLG-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97163;MM97163;C=C(C)CC(C)F;MXZUHHJZLUZRJE-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97164;MM97164;CC(=O)CC(C)F;YFAPXLZNWXOXHH-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97165;MM97165;C=C(F)CC(C)F;PPAKFLJGOCSZOL-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97166;MM97166;CC(=O)CC(F)F;REUUBMQVMAEFKB-UHFFFAOYSA-N;108.09;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97167;MM97167;NC(=O)CC(F)F;YPPSSYNABRBHKG-UHFFFAOYSA-N;109.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97168;MM97168;C=C(F)CC(F)F;GZWFVDSUVDIHBQ-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97169;MM97169;C=C(C)OC(C)C;MLALRMZPIVORPQ-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97170;MM97170;CC(=O)OC(C)C;JMMWKPVZQRWMSS-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97171;MM97171;CN(C)CC(=N)N;NPLJXAOGGMKFFB-UHFFFAOYSA-N;101.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97172;MM97172;CC(=N)NN(C)C;UVCDMBDSNMBZHS-UHFFFAOYSA-N;101.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97173;MM97173;CN(C)NC(=N)N;VFQRIMAQYHCKEL-UHFFFAOYSA-N;102.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97174;MM97174;C=C(C)CC(=C)C;ANKJYUSZUBOYDV-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97175;MM97175;C=C(C)CC(=C)F;DNHAZGBZXDGTLD-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97176;MM97176;C=C(F)CC(C)=O;LCDMZSIJIIQQNX-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97177;MM97177;N=C(N)CC(=N)N;PVFQGWOQUCAAIX-UHFFFAOYSA-N;100.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97178;MM97178;N=C(N)CC(N)=O;RGXJMLZFKIUGNH-UHFFFAOYSA-N;101.11;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97179;MM97179;C=C(F)CC(=N)N;NVIFFXNVBPQUAY-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97180;MM97180;NC(=O)CC(N)=O;WRIRWRKPLXCTFD-UHFFFAOYSA-N;102.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97181;MM97181;Nc1c(O)c(O)n(N)c1F;DAPWZQPJOMRHMK-UHFFFAOYSA-N;147.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97182;MM97182;O=C(O)CC(=O)O;OFOBLEOULBTSOW-UHFFFAOYSA-N;104.06;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97183;MM97183;C=C(F)CC(=O)O;UGAZKDQQCXCWRZ-UHFFFAOYSA-N;104.08;0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97184;MM97184;C=C(F)CC(=C)F;NMRXNMYDVPRTSY-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97185;MM97185;CC(=N)NC(=N)N;ZYNGLOJLQDOQCR-UHFFFAOYSA-N;100.13;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97186;MM97186;CC(=O)NC(C)=O;ZSBDPRIWBYHIAF-UHFFFAOYSA-N;101.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97187;MM97187;CC(=O)NC(=N)N;NGGXACLSAZXJGM-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97188;MM97188;CC(=O)NC(N)=O;GKRZNOGGALENQJ-UHFFFAOYSA-N;102.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97189;MM97189;N=C(N)NC(=N)N;XNCOSPRUTUOJCJ-UHFFFAOYSA-N;101.11;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97190;MM97190;C=C(C)OC(=C)C;FKTLISWEAOSVBS-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97191;MM97191;C=C(C)OC(C)=O;HETCEOQFVDFGSY-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97192;MM97192;CC(C)=CC(C)C;VVCFYASOGFVJFN-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97193;MM97193;CC(F)=CC(C)C;KTESKSAWRVHJAW-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97194;MM97194;CC(C)C=C(F)F;BEDYOZHYPWNELY-UHFFFAOYSA-N;106.12;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97195;MM97195;CC(C)=CC(C)N;JTCGDHCDYGOMRQ-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97196;MM97196;CCc1c[nH]c(=NN)o1;JJJSLTFVMGFVSU-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97197;MM97197;CC(F)=CC(C)O;BEDUWZCHGBKWIO-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97198;MM97198;CC(O)C=C(F)F;UGCOWBTZYLLGEG-UHFFFAOYSA-N;108.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97199;MM97199;CC(C)=CC(C)F;MUIANSZDHXFQCZ-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97200;MM97200;CC(F)=CC(C)F;LVZRXVSGZDSHPO-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97201;MM97201;CC(F)C=C(F)F;KIHPFEOVCJRTBP-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97202;MM97202;CC(C)=CC(F)F;MPWFXPAISCVTJK-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97203;MM97203;CC(F)=CC(F)F;LBXIVYAXNJZIAE-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97204;MM97204;FC(F)=CC(F)F;BNYODXFAOQCIIO-UHFFFAOYSA-N;114.04;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97205;MM97205;CC(C)=NN(C)C;IDSMDKUVIBSETN-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97206;MM97206;C=C(C)C=C(C)C;CMSUNVGIWAFNBG-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97207;MM97207;C=C(C)C=C(C)F;OQBRJFZAEIPNCO-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97208;MM97208;C=C(C)C=C(F)F;SCFAIRLVWIXEHU-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97209;MM97209;CC(=O)C=C(C)F;YRCCZFFDNHCFNG-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97210;MM97210;CC(N)=CC(=N)N;ALZJDSURPNXGCG-UHFFFAOYSA-N;99.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97211;MM97211;N=C(N)C=C(N)N;AGRCEILHYJVOHH-UHFFFAOYSA-N;100.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97212;MM97212;O=CC(C=O)NC1CC1;KZLKHMFOXUEFSH-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97213;MM97213;CCCc1c[nH]c(=NN)o1;XVNAQFSRWYFGTI-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97214;MM97214;CC(F)=CC(=O)O;ZBZMUNHJPAFXMB-UHFFFAOYSA-N;104.08;0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97215;MM97215;Cc1c[nH]c(=NO)oc1=O;RWCUFEFDTGRHFJ-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97216;MM97216;C=C(F)C=C(C)C;WFGNMADBVPWCPS-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97217;MM97217;C=C(F)C=C(C)F;YWZNROMDJMXZJY-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97218;MM97218;C=C(F)C=C(F)F;JTGATPUEEONCSG-UHFFFAOYSA-N;108.06;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97219;MM97219;CC1CC(C)(C)C1;MADLTPOPQIARAP-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97220;MM97220;CC1(C)CC(N)C1;ZZIYOZFERMXGHB-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97221;MM97221;Cn1oc(=N)n(C)c1=NO;VIVMLFBCYDCGPY-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97222;MM97222;CC1(C)CC(F)C1;ABVKMLXFGCEVTH-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97223;MM97223;CC1CC(C)(N)C1;ZWMRWMKTTMIHRM-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97224;MM97224;CC1(N)CC(N)C1;SBBAGNHPQWRXMJ-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97225;MM97225;CC1(N)CC(O)C1;NJCYYGYIMLSZJS-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97226;MM97226;CC1(N)CC(F)C1;BUZKXSHHVXPYOY-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97227;MM97227;N=CN=CN(N)CC=NO;HNHVAUAAEJMQCY-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97228;MM97228;CC1(O)CC(N)C1;FAAHPGXMUSQMLD-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97229;MM97229;CC1(O)CC(O)C1;JBKPAMWOSAMZIV-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97230;MM97230;CC1(O)CC(F)C1;DTEXAOWIXORXSQ-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97231;MM97231;CC1CC(C)(F)C1;CGACJAPFAXDJGC-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97232;MM97232;CC1(F)CC(N)C1;AOYYTLOIJHHVQS-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97233;MM97233;CC1(F)CC(O)C1;HCXJIYKDMWVWIV-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97234;MM97234;CC1(F)CC(F)C1;PJUWRDWWDKTSNS-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97235;MM97235;CC1CC(F)(F)C1;UEXBVVYKRDRGNV-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97236;MM97236;NC1CC(F)(F)C1;RKATWUBDSJHPEV-UHFFFAOYSA-N;107.1;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97237;MM97237;OC1CC(F)(F)C1;BFLCYDVYEGKWSQ-UHFFFAOYSA-N;108.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97238;MM97238;FC1CC(F)(F)C1;OMSZFBOVCMRFIZ-UHFFFAOYSA-N;110.08;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97239;MM97239;CC1CC(C)(C)N1;ATTVJWQVBUVDOP-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97240;MM97240;CC1CC(C)(C)O1;YPGZPXRJCANRNX-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97241;MM97241;CN1CC(C)(C)C1;IOHJRUFWMYLKED-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97242;MM97242;CN1CC(C)(N)C1;SRKFECRKKOZICT-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97243;MM97243;CN1CC(C)(F)C1;CTOOUTTXJCCPQY-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97244;MM97244;CN1CC(F)(F)C1;YASSUAIJFUESOY-UHFFFAOYSA-N;107.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97245;MM97245;CC1(C)CC(=O)C1;QKBARYIIIXIZGP-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97246;MM97246;CC1(O)CC(=O)C1;RMPZXVXUDJLPPQ-UHFFFAOYSA-N;100.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97247;MM97247;CC1(F)CC(=O)C1;GUMKPBKCUANTIT-UHFFFAOYSA-N;102.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97248;MM97248;O=C1CC(F)(F)C1;DOVLQPYYSCACJX-UHFFFAOYSA-N;106.07;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97249;MM97249;CC1(C)CC(=O)N1;IGWGXZKGWFYOHE-UHFFFAOYSA-N;99.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97250;MM97250;CC1(C)CC(=O)O1;WHBGXDGQNOAWLX-UHFFFAOYSA-N;100.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97251;MM97251;CC1(C)CC1(C)F;IHAWUEAOZYVWCK-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97252;MM97252;CC1(C)CC1(F)F;AMPACFIJFCLUDK-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97253;MM97253;CC1(N)CC1(C)N;VWBFNFGYOFVPSG-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97254;MM97254;CC1(N)CC1(C)O;OEXAHUBXSFDLTC-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97255;MM97255;CC1(N)CC1(C)F;SLUZGXFNBLKVEZ-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97256;MM97256;CC1(O)CC1(C)O;HDJBBQZHMADCGL-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97257;MM97257;CC1(O)CC1(C)F;JEFVSHPCLPKLRT-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97258;MM97258;CC1(O)CC1(F)F;UOFSYGHRPVHLCK-UHFFFAOYSA-N;108.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97259;MM97259;CC1(F)CC1(C)F;WVSKTOLMGUEOAX-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97260;MM97260;CC1(F)CC1(F)F;HSBGNIFLBCIPNP-UHFFFAOYSA-N;110.08;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97261;MM97261;FC1(F)CC1(F)F;GAUOXRYNXHWONS-UHFFFAOYSA-N;114.04;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97262;MM97262;CC(C)(CO)CF;HAJWLVGKZHJQMW-UHFFFAOYSA-N;106.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97263;MM97263;CC(C)(CF)CF;GBXMPZDDZCSMQM-UHFFFAOYSA-N;108.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97264;MM97264;CCC(C)(N)CF;ISLIQOFAUHOMIB-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97265;MM97265;CC(N)(CN)CF;DEKNYEDVLJZIAY-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97266;MM97266;CCC(C)(O)CF;LJVLXZGEDHCQHC-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97267;MM97267;CC(O)(CN)CF;VMNVZCLFXZCWKN-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97268;MM97268;CC(O)(CO)CF;LFQMFJXIQOEZLG-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97269;MM97269;CCC(C)(F)CO;JTADSDIQROXXJS-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97270;MM97270;CCC(C)(F)CF;ZAVZXSQGDXONKP-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97271;MM97271;CC(F)(CN)CF;VDVPYAKURNIEON-UHFFFAOYSA-N;109.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97272;MM97272;CC(F)(CF)CF;IHGJTXSROACDQL-UHFFFAOYSA-N;112.09;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97273;MM97273;CCC(F)(F)CF;KAQIIWIWWCKUMH-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97274;MM97274;FCC(F)(F)CF;KRMPWJLLJZSRLO-UHFFFAOYSA-N;116.06;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97275;MM97275;COC(C)(C)CF;KPBPMCVNUZVGHD-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97276;MM97276;C=CC(C)(C)CF;IKQWRFGLBFNLLE-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97277;MM97277;CC(O)(C=O)CF;OKYLBMNBIYDHEV-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97278;MM97278;CC(O)(C#N)CF;USTQBHSSNOJGMC-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97279;MM97279;CCC(C)(F)C=O;LRHIELWMYLBUPB-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97280;MM97280;C=CC(C)(F)CF;JGVBJZCOZVIGQH-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97281;MM97281;CC(F)(C#N)CF;YLERSPYQAQLFFT-UHFFFAOYSA-N;105.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97282;MM97282;N#CC(F)(F)CF;CXWROMFWHBIOBS-UHFFFAOYSA-N;109.05;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97283;MM97283;C#CC(C)(O)CF;VOORBVMNVYGBRT-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97284;MM97284;C#CC(C)(F)CF;IOZQTECXODHQKH-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97285;MM97285;C#CC(F)(F)CC;IMRTVRQHRKOYCU-UHFFFAOYSA-N;104.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97286;MM97286;C#CC(F)(F)CF;MSLGBXIWUILGFG-UHFFFAOYSA-N;108.06;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97287;MM97287;C=CC(F)(F)C#N;SYDCWGOCCDZGGL-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97288;MM97288;C#CC(F)(F)C=C;BAWXWRVWXLBUOX-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97289;MM97289;CCCCC(C)C;GXDHCNNESPLIKD-UHFFFAOYSA-N;100.21;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97290;MM97290;CC(C)CCCN;QVIAMKXOQGCYCV-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97291;MM97291;CC(C)CCCO;PCWGTDULNUVNBN-UHFFFAOYSA-N;102.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97292;MM97292;CC(C)CCCF;OTTLGSADBFHWET-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97293;MM97293;CCCCC(C)N;WGBBUURBHXLGFM-UHFFFAOYSA-N;101.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97294;MM97294;Nc1cc(=NO)n(N)o1;PNTYIDSRVZPSFT-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97295;MM97295;CCCCC(C)F;KDSVEERUTJJIEW-UHFFFAOYSA-N;104.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97296;MM97296;CC(F)CCCN;ZIHZTJUZQPYNKR-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97297;MM97297;CC(F)CCCO;VZDOKJIGUOAJHG-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97298;MM97298;CCCCC(F)F;PSSHQAXMSKKIBE-UHFFFAOYSA-N;108.13;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97299;MM97299;CNCCC(C)C;QSOCODZVGPDGDA-UHFFFAOYSA-N;101.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97300;MM97300;COCCC(C)C;ZQAYBCWERYRAMF-UHFFFAOYSA-N;102.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97301;MM97301;COCCC(C)O;METPUBMTPUYMGR-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97302;MM97302;COCCC(C)F;XFZJPRCHGRETMO-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97303;MM97303;COCCC(F)F;ABLYXTNXSACEHE-UHFFFAOYSA-N;110.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97304;MM97304;CCNCC(C)C;FNLUJDLKYOWMMF-UHFFFAOYSA-N;101.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97305;MM97305;CCNCC(C)F;IVJNSODBQZRQDM-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97306;MM97306;CCOCC(C)C;RQUBQBFVDOLUKC-UHFFFAOYSA-N;102.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97307;MM97307;CCOCC(C)F;YQKSVZKHVNWZCV-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97308;MM97308;CCOCC(F)F;SSPGYOFJDPGPRV-UHFFFAOYSA-N;110.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97309;MM97309;CC(C)NCCF;RMQUYIZMIUDCTF-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97310;MM97310;CCCOC(C)C;JIEJJGMNDWIGBJ-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Isopropoxyethanol;MM00023;CC(C)OCCO;HCGFUIQPSOCUHI-UHFFFAOYSA-N;104.15;0.4;7996;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97311;MM97311;CC(C)OCCF;PYFLLUNGJQPNTK-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97312;MM97312;CCCCN(C)C;DJEQZVQFEPKLOY-UHFFFAOYSA-N;101.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97313;MM97313;COCCN(C)C;HMVFITKXZCNKSS-UHFFFAOYSA-N;103.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97314;MM97314;C=CCCC(C)C;JIUFYGIESXPUPL-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97315;MM97315;CC(C)CCC=O;JGEGJYXHCFUMJF-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97316;MM97316;CC(C)CCC#N;DUJMVKJJUANUMQ-UHFFFAOYSA-N;97.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97317;MM97317;C=CCCC(C)N;PBEJOEYAKXHDJT-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97318;MM97318;NC1C(=O)OCC1=NO;CRLVWZRCALJGLE-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97319;MM97319;C=CCCC(C)F;RYHIUWPDKZKIMX-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97320;MM97320;CC(F)CCC#N;YVGJTRWUOAJUMN-UHFFFAOYSA-N;101.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97321;MM97321;C=CCCC(F)F;ATIXEPQEBLXHKE-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97322;MM97322;CC(N)CNC=N;LOZICNFNKPTOAJ-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97323;MM97323;CC(N)CNC=O;PYRMIZAYOLDMMN-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97324;MM97324;CC(O)CNC=N;YVVYXNXLAJRXDA-UHFFFAOYSA-N;102.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97325;MM97325;CC(O)CNC=O;SIVVBLSNZZQDNV-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97326;MM97326;CC(F)CNC=N;DUNWSEBBBROFLN-UHFFFAOYSA-N;104.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97327;MM97327;CC(F)CNC=O;PVOCUNLZKIXFKX-UHFFFAOYSA-N;105.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97328;MM97328;O=CNCC(F)F;BHIPLPFFBIYKMM-UHFFFAOYSA-N;109.08;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97329;MM97329;C#CCN(N)C(CO)=NO;FRJLYZLJLCUJIF-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97330;MM97330;C=COCC(C)C;OZCMOJQQLBXBKI-UHFFFAOYSA-N;100.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97331;MM97331;CC(C)COC=O;AVMSWPWPYJVYKY-UHFFFAOYSA-N;102.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97332;MM97332;CC(N)COC=O;CTFYUDGXEUCGME-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97333;MM97333;C=COCC(C)F;COEUOMYBVXQUCU-UHFFFAOYSA-N;104.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97334;MM97334;C=COCC(F)F;DFPJZKCPOFREPN-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97335;MM97335;C=NOCC(C)C;UGLMPNRVXHDOTE-UHFFFAOYSA-N;101.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97336;MM97336;C=NOCC(C)F;CDOWWAXEGMLCOU-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97337;MM97337;C=NOCC(F)F;NZRUYWOYOUWIOV-UHFFFAOYSA-N;109.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97338;MM97338;C=CCNC(C)C;OWUBKHTYXCOYMM-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97339;MM97339;CC(C)NNC=N;BMKJGRFRUQMPBN-UHFFFAOYSA-N;101.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97340;MM97340;Cc1c[nH]c(=NN)o1;ORDNIYJOHPLALG-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97341;MM97341;C=CCOC(C)C;HCHJSQGMAQVHNO-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97342;MM97342;CC(C)OCC=O;JOFJLDMQBUWNGH-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97343;MM97343;CC(C)OCC#N;ANOCAHQLPCCXRB-UHFFFAOYSA-N;99.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97344;MM97344;C=CCCN(C)C;GKTJBVBQYZOQNJ-UHFFFAOYSA-N;99.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97345;MM97345;C#CCCC(C)C;HKNANEMUCJGPMS-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97346;MM97346;C#CCCC(C)N;HAWJLYAEQRFJQU-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97347;MM97347;CN(O)C=NNCC=NO;FQKHVGQSVHMKOL-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97348;MM97348;C#CCCC(C)F;GHYLEIFFVKYBLB-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97349;MM97349;C#CCCC(F)F;ZOAFUECIMPEWCX-UHFFFAOYSA-N;104.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97350;MM97350;C#CCNC(C)C;BQMKURIMSKNDLR-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97351;MM97351;C#CCOC(C)C;ILSBQHAPINGYIJ-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97352;MM97352;C#CCCN(C)C;WSCWSMUKWIYUFV-UHFFFAOYSA-N;97.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97353;MM97353;C=C(C)CCCC;IRUDSQHLKGNCGF-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97354;MM97354;C=C(C)CCCN;UYFCOROSAVFBRN-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97355;MM97355;CN(N)C(=N)C(CO)=NO;SGSRBRXZWWDCKW-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97356;MM97356;C=C(C)CCCF;SDDGQCNENHYDOV-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97357;MM97357;CCCCC(C)=O;QQZOPKMRPOGIEB-UHFFFAOYSA-N;100.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97358;MM97358;N=C(N)CCCN;RKOPOQDWXOQCAB-UHFFFAOYSA-N;101.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97359;MM97359;N=C(N)CCCO;FGGKESDTDWWERY-UHFFFAOYSA-N;102.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97360;MM97360;NC(=O)CCCO;LOESDOAIWSCMKM-UHFFFAOYSA-N;103.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Valeric Acid";MM00710;CCCCC(=O)O;NQPDZGIKBAWPEJ-UHFFFAOYSA-N;102.13;1.26;7991;DB02406;LEA;CHEMBL268736;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97361;MM97361;CCCc1cc(O)n[nH]1;NXFXPKZEULTGKQ-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97362;MM97362;C=C(F)CCCC;PCWDKJRVYKUEDB-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97363;MM97363;C=C(F)CCCN;MJRBUAGKUCURIX-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97364;MM97364;C=C(F)CCCO;HWFJNIJJKRTRJM-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97365;MM97365;C=C(F)CCCF;BNHMPAVDFISZEP-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97366;MM97366;CNCCC(=N)N;QBXBWZBIZWFCJA-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97367;MM97367;CNCCC(N)=O;FFJLSBFLTYYWII-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97368;MM97368;C=C(C)CCOC;RWOKSHXRXBYVOC-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97369;MM97369;COCCC(=N)N;GOLODWMXGLKPFT-UHFFFAOYSA-N;102.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97370;MM97370;COCCC(N)=O;BPXCLLWXDHBFRH-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97371;MM97371;C=C(F)CCOC;WIHDVQPTVYVQFF-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97372;MM97372;CCNCC(=N)N;YMLCUCSPOVOFFG-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97373;MM97373;CCNCC(N)=O;SNFFHBJWQFQMBC-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97374;MM97374;C=C(C)COCC;CVEARUDSOVGFAJ-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97375;MM97375;CCOCC(N)=O;OAAKFAXUEYTMHF-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97376;MM97376;C=C(F)COCC;ORUPLARUGLTIKM-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97377;MM97377;CC(=N)NCCN;NMASYHOFIZHNNO-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97378;MM97378;CC(=N)NCCO;DSZXBVTWQFXLHY-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97379;MM97379;CC(=O)NCCN;DAKZISABEDGGSV-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97380;MM97380;CC(=O)NCCO;PVCJKHHOXFKFRP-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97381;MM97381;N=C(N)NCCN;MXDAOHAPVWZSQU-UHFFFAOYSA-N;102.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97382;MM97382;N=C(N)NCCO;DHEWEVVTYBEELC-UHFFFAOYSA-N;103.13;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97383;MM97383;N=C(N)NCCF;OHPZREWMCXFPHQ-UHFFFAOYSA-N;105.12;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97384;MM97384;CCCNC(N)=O;ZQZJKHIIQFPZCS-UHFFFAOYSA-N;102.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97385;MM97385;NCCNC(N)=O;ZULYWHOJRVBUJU-UHFFFAOYSA-N;103.13;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97386;MM97386;NC(=O)NCCO;CLAHOZSYMRNIPY-UHFFFAOYSA-N;104.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97387;MM97387;NC(=O)NCCF;SNHLRJSKPOPBPO-UHFFFAOYSA-N;106.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97388;MM97388;CCNNC(C)=N;ADWPLCOEBPLXFU-UHFFFAOYSA-N;101.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97389;MM97389;Cc1nc(=NO)n(N)n1N;YAVMPRLKYHMXKA-UHFFFAOYSA-N;144.14;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97390;MM97390;CCNNC(=N)N;DVRMUBTVBPZZAT-UHFFFAOYSA-N;102.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97391;MM97391;CCONC(C)=N;WHELQCFYMJNODI-UHFFFAOYSA-N;102.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97392;MM97392;C=C(C)OCCC;FEZPASJKNCOSOI-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97393;MM97393;C=C(C)OCCF;ATRHXOQQCDMXRQ-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97394;MM97394;CCCOC(C)=O;YKYONYBAUNKHLG-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97395;MM97395;CC(=O)OCCN;HBVZRPAKZOLBPL-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97396;MM97396;N=C(N)OCCN;INYWPZZLHMFCPI-UHFFFAOYSA-N;103.13;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97397;MM97397;N=C(N)OCCO;GJAVJGLCNSNPCF-UHFFFAOYSA-N;104.11;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97398;MM97398;NCCOC(N)=O;ZYFTZMADDQMCNB-UHFFFAOYSA-N;104.11;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97399;MM97399;NC(=O)OCCO;BTDQXGUEVVTAMD-UHFFFAOYSA-N;105.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97400;MM97400;COCOC(N)=O;WQBZJYMVYGBAEL-UHFFFAOYSA-N;105.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97401;MM97401;C=CCCC(=C)C;SLQMKNPIYMOEGB-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97402;MM97402;C=C(C)CCC#N;XGXZPXIIEIAJKL-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97403;MM97403;C=CCCC(C)=O;RNDVGJZUHCKENF-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97404;MM97404;N#CCCC(=N)N;STJXRGXAAXLPKN-UHFFFAOYSA-N;97.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97405;MM97405;N#CCCC(N)=O;YKAWOJYVXDCFDP-UHFFFAOYSA-N;98.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97406;MM97406;C=CCCC(=C)F;ZEZAKNMHFDIGLJ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97407;MM97407;C=C(F)CCC#N;QCQYQPGQKGOUKQ-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97408;MM97408;CC(=O)CNC=O;CAQXYVTYTTXGKW-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97409;MM97409;N=CNCC(=N)N;CVBLFCYJIAHCSP-UHFFFAOYSA-N;100.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97410;MM97410;N=C(N)CNC=O;KUACLQSSUWXXDU-UHFFFAOYSA-N;101.11;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97411;MM97411;N=CNCC(N)=O;CGQBWZRDZRTGNI-UHFFFAOYSA-N;101.11;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97412;MM97412;NC(=O)CNC=O;XDASXSONAZHGKJ-UHFFFAOYSA-N;102.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97413;MM97413;N=c1[nH]c(=O)nc(N)n1O;GYRYHLXQMKSKNZ-UHFFFAOYSA-N;143.11;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97414;MM97414;C#CC(CNCC=O)=NO;NVVVNDZTDXKYJN-UHFFFAOYSA-N;140.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97415;MM97415;C=NNCC(=N)N;GGQFCZNGQZFPGQ-UHFFFAOYSA-N;100.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97416;MM97416;COC(=N)NOC(C)=NO;CZGFZKWFWWVFKD-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97417;MM97417;NN=Cc1coc(O)c1;NUZODWASRIOQGE-UHFFFAOYSA-N;126.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97418;MM97418;C=COCC(=C)C;GBHHYHNRBWGLBL-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97419;MM97419;C=C(C)COC=O;VGHXIQMEYIMTRF-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97420;MM97420;N=C(N)COC=O;RKEDBSNCLTYROC-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97421;MM97421;NC(=O)COC=O;QBXDKIDZEWWLPM-UHFFFAOYSA-N;103.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97422;MM97422;C=COCC(=C)F;IFGLIMNLXQCZMR-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97423;MM97423;C=C(F)COC=O;BBJFKFKOBIQHJT-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97424;MM97424;C=NOCC(=C)C;HCEFIIDIJAEEMZ-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97425;MM97425;CC(N=CN(O)C=N)=NO;IKRDCOWFJYRTSK-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97426;MM97426;C=NOCC(=N)N;WXGQWRYDJDSLNV-UHFFFAOYSA-N;101.11;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97427;MM97427;C#CCNC(=N)ONC=O;DHTPKGWBCCHTGJ-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97428;MM97428;C=NOCC(=C)F;MXGUUAPUXKYAGR-UHFFFAOYSA-N;103.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97429;MM97429;CC(=N)NCC=O;OLSMSTSBQIQVJZ-UHFFFAOYSA-N;100.12;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97430;MM97430;CC(=O)NCC#N;LHWCUMYXUCPQSZ-UHFFFAOYSA-N;98.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97431;MM97431;N=C(N)NCC=O;ZTZNNPCZPCDTNC-UHFFFAOYSA-N;101.11;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97432;MM97432;C=CCNC(N)=O;VPJDULFXCAQHRC-UHFFFAOYSA-N;100.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97433;MM97433;NC(=O)NCC=O;NVLOONYHCYEBAO-UHFFFAOYSA-N;102.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97434;MM97434;CC(=N)NNC=N;LQLRCYSZCMLPAU-UHFFFAOYSA-N;100.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97435;MM97435;CC(=N)NNC=O;VNQQXPKEMBQHQH-UHFFFAOYSA-N;101.11;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97436;MM97436;CC(=O)NNC=O;URADZTVVWMDUTB-UHFFFAOYSA-N;102.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97437;MM97437;N=CNNC(=N)N;UXRQORPVVWRVDO-UHFFFAOYSA-N;101.11;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97438;MM97438;N=C(N)NNC=O;MJKIDIZJBHRWKF-UHFFFAOYSA-N;102.1;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97439;MM97439;N=CNNC(N)=O;RXKVAOVSEOWXQF-UHFFFAOYSA-N;102.1;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97440;MM97440;NC(=O)NNC=O;RMFJTEMHOPPQER-UHFFFAOYSA-N;103.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97441;MM97441;CC(=O)NOC=O;STWCITDXLPUVLL-UHFFFAOYSA-N;103.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97442;MM97442;N=C(N)NOC=O;ILBDDZUUOBXJJB-UHFFFAOYSA-N;103.08;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97443;MM97443;C=CCOC(=C)C;WVLZPAZGFVMOGJ-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97444;MM97444;C=CCOC(C)=O;FWZUNOYOVVKUNF-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97445;MM97445;CC(=O)OCC=O;GUPGZURVZDIQPM-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97446;MM97446;CC(=O)OCC#N;AJEHNBIPLQJTNU-UHFFFAOYSA-N;99.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97447;MM97447;N=C(N)OCC=O;JICKOFGXFMKKHS-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97448;MM97448;C=CCOC(N)=O;OCAAZRFBJBEVPS-UHFFFAOYSA-N;101.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97449;MM97449;NC(=O)OCC=O;GCGBPPCSOJNFDC-UHFFFAOYSA-N;103.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97450;MM97450;N#CCOC(N)=O;IUDUQYZKURPHGL-UHFFFAOYSA-N;100.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97451;MM97451;N=CNOC(=N)N;PLWFXFKJDJCRMI-UHFFFAOYSA-N;102.1;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97452;MM97452;C#CCCC(=C)C;ITCXLDNSGFHLMU-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97453;MM97453;C#CCCC(=O)O;MLBYLEUJXUBIJJ-UHFFFAOYSA-N;98.1;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97454;MM97454;C#CCCC(=C)F;PBDBTLXWFCRZSP-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97455;MM97455;C#CCNC(C)=N;GWCRLSOPDCVVIP-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97456;MM97456;C#CCNC(=N)N;NORYYEBGVCUVJI-UHFFFAOYSA-N;97.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97457;MM97457;C#CCNC(N)=O;LJPYJRMMPVFEKR-UHFFFAOYSA-N;98.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97458;MM97458;C#CCOC(=C)C;CYWQOLHNKCATCL-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97459;MM97459;C#CCOC(C)=O;RIZZXCJMFIGMON-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97460;MM97460;CC=CCC(C)C;GHBKCPRDHLITSE-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97461;MM97461;CC(C)CC=CF;CYRNWYSFMYUCLD-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97462;MM97462;CC=CCC(C)N;DGIDKSAXXIYJLR-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97463;MM97463;NN=c1cccc(O)n1O;YHGUEMIEULGELD-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97464;MM97464;CC(O)CC=CF;DOJPUDUUBMFRMK-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97465;MM97465;CC=CCC(C)F;SRUFNUGEPGCMLU-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97466;MM97466;CC(F)CC=CF;LMBMPOFDUZKZEB-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97467;MM97467;CC=CCC(F)F;OTSDCLPGMKPHSY-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97468;MM97468;FC=CCC(F)F;CSNBUDSKDROVPG-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97469;MM97469;CC(C)CC=NN;IVEGZSRSHJMJSK-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97470;MM97470;CCc1ncn(C=N)c1O;APYALLKAOJMRPM-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97471;MM97471;CC(N)CC=NO;ZFMIPVLRFZXNKF-UHFFFAOYSA-N;102.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97472;MM97472;CC(F)CC=NN;HMUVHCRAVRJMPS-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97473;MM97473;CC(F)CC=NO;SGGFANBNLPVSLY-UHFFFAOYSA-N;105.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97474;MM97474;NN=CCC(F)F;KUZFAQIWNQFGGR-UHFFFAOYSA-N;108.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97475;MM97475;CC=COC(C)C;PLGKZYGGZOMZHL-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97476;MM97476;CC(C)OC=CF;UNBCTEVYOBEPEE-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97477;MM97477;CN=c1oc(=O)[nH]n1C;TUSCTFRFPKEIHB-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97478;MM97478;CC(C)OC=NO;NTSLMNFSRHUSAZ-UHFFFAOYSA-N;103.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97479;MM97479;CC=NOC(C)C;YWAKXPYVEHLYHD-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97480;MM97480;CC=CCN(C)C;YEZFZWKMYVDWFK-UHFFFAOYSA-N;99.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97481;MM97481;C=C(C)CC=CC;XBUBWPOBEDQVOO-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97482;MM97482;C=C(C)CC=CF;VZKGQIWGVRQXDT-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97483;MM97483;CC=CCC(C)=O;YRXUQYBLFBZHNE-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97484;MM97484;CC(=O)CC=CF;AIWVHANKLGWXLZ-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97485;MM97485;CC=CCC(=O)O;UIUWNILCHFBLEQ-UHFFFAOYSA-N;100.12;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97486;MM97486;O=C(O)CC=CF;SQBTXCUEVWXKBM-UHFFFAOYSA-N;104.08;0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97487;MM97487;C=C(F)CC=CC;NURHTVANFPMSGT-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97488;MM97488;C=C(F)CC=CF;DHYCUAPNBACEGE-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97489;MM97489;C=C(C)CC=NN;ZZEZZBPIPHTBPQ-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97490;MM97490;C=C(C)CC=NO;DPEGOQSLGYPBLK-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97491;MM97491;N=C(N)CC=NN;SCUDQORQZVLTEF-UHFFFAOYSA-N;100.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97492;MM97492;N=C(N)CC=NO;RDKXDPPMIRIOCY-UHFFFAOYSA-N;101.11;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97493;MM97493;CNNC(=NO)OC=NO;MGTUXWMYELWAGB-UHFFFAOYSA-N;148.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97494;MM97494;NC(=O)CC=NO;NPZNWJUMSQFPIQ-UHFFFAOYSA-N;102.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97495;MM97495;Nc1c(O)n(N)n(O)c1=O;MBKRLMQDAOQSBP-UHFFFAOYSA-N;146.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97496;MM97496;N=c1nc(C(=O)NO)o[nH]1;ZDEAYXJRKBRUHM-UHFFFAOYSA-N;144.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97497;MM97497;C=C(F)CC=NN;YUEIQTIVDNVQHF-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97498;MM97498;C=C(F)CC=NO;VCBDPGRVJLBBJB-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97499;MM97499;N=C(N)NC=CF;GPJWDILCCOOOPD-UHFFFAOYSA-N;103.1;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97500;MM97500;NC(=O)NC=CF;VKCCOTQUCGTBTA-UHFFFAOYSA-N;104.08;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97501;MM97501;C=C(C)NC=NC;HUXDJHSTJDAEOF-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97502;MM97502;CN=CNC(C)=N;WXQOKXDZZQDPED-UHFFFAOYSA-N;99.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97503;MM97503;CC(=N)NC=NN;GSFOIRGGXRVDQJ-UHFFFAOYSA-N;100.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97504;MM97504;CC(=N)NC=NO;ZZACXNSLNDDORB-UHFFFAOYSA-N;101.11;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97505;MM97505;CC(=O)NC=NN;GDRFUZQCVOTFKV-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97506;MM97506;CC(=O)NC=NO;XZJYDVBVHRWEMS-UHFFFAOYSA-N;102.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97507;MM97507;CN=CNC(=N)N;IAMGAGYCLQABQW-UHFFFAOYSA-N;100.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97508;MM97508;N=C(N)NC=NN;UCLABDBZPCNFCL-UHFFFAOYSA-N;101.11;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97509;MM97509;N=C(N)NC=NO;WECNZGQIWVGOBX-UHFFFAOYSA-N;102.1;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97510;MM97510;NN=CC(N=CNN)=NO;ICHXIVGCCWLQPX-UHFFFAOYSA-N;144.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97511;MM97511;NN=CNC(N)=O;SVJWTOSRACVBNV-UHFFFAOYSA-N;102.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97512;MM97512;NC(=O)NC=NO;ILTVGYDBXVXBJW-UHFFFAOYSA-N;103.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97513;MM97513;C=C(C)OC=CC;LVYXSGCHYAMRQT-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97514;MM97514;C=C(C)OC=CF;RHEIMKOKSKAVLA-UHFFFAOYSA-N;102.11;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97515;MM97515;CC=COC(C)=O;IKUJAIDSWVXUGG-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97516;MM97516;CC(=O)OC=CF;IKADLZBPIBLWPZ-UHFFFAOYSA-N;104.08;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97517;MM97517;Cc1c(N)on(N)c1=NO;DJXUGDRRNTUFLK-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97518;MM97518;NC(=O)OC=NO;UASNRODNZNEGSY-UHFFFAOYSA-N;104.07;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97519;MM97519;CC#CCC(C)C;SVGAHRUSRQTQES-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97520;MM97520;CC#CCC(C)N;NQECNYGAVGZCPD-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97521;MM97521;N#CC1CC1NCC=NO;QGYMNHFWJWDHJE-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97522;MM97522;CC#CCC(C)F;WFWWHVNAJAJANV-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97523;MM97523;CC#CCC(F)F;NYFICURXGFQPOS-UHFFFAOYSA-N;104.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97524;MM97524;C=C(C)CC#CC;WWQULALJHYPLLY-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97525;MM97525;CC#CCC(=N)N;AZHSVOOISXMQGZ-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97526;MM97526;CC#CCC(N)=O;LRTQFGQTBAXESK-UHFFFAOYSA-N;97.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97527;MM97527;C=C(F)CC#CC;YABKLQWKDWWBOA-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97528;MM97528;CCC=CC(C)C;IQANHWBWTVLDTP-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97529;MM97529;CC(C)C=CCO;BRYMKDNCWBMHIF-UHFFFAOYSA-N;100.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97530;MM97530;CC(C)C=CCF;MVMSKBSRDUOESI-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97531;MM97531;CCC=CC(C)N;QEFIPPNXFHQYRO-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97532;MM97532;CC(N)C=CCN;AQEBFFMECLNIER-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97533;MM97533;CC(C=NO)NCCC#N;CJSPGKRHHOGDSK-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97534;MM97534;CC(O)C=CCN;GRSNBZWNZMOQON-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97535;MM97535;CCC=CC(C)F;MKSLWUWHIHXISH-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97536;MM97536;CC(F)C=CCO;FJDBHOWJHZAVKS-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97537;MM97537;CC(F)C=CCF;AWJLKHLDRCCPDI-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97538;MM97538;CCC=CC(F)F;HEDDWBGFXADQEY-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97539;MM97539;NCC=CC(F)F;PLKRBDFSPGMZLG-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97540;MM97540;OCC=CC(F)F;ASQDCXUBEKUMSY-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97541;MM97541;FCC=CC(F)F;YUXNODKRNXNFFO-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97542;MM97542;COC=CC(C)C;NDACTLNPNAMFLK-UHFFFAOYSA-N;100.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97543;MM97543;COC=CC(C)F;DSXHRVUUINHWCL-UHFFFAOYSA-N;104.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97544;MM97544;COC=CC(F)F;HPHRMVYUBMGZGN-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97545;MM97545;CC(O)CNC(C=O)C=O;AAFVZAMTTFNYMM-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97546;MM97546;CCc1ncc(O)n1N;SHPCMUCUTRVNMV-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97547;MM97547;CON=CC(C)C;BWDHKWDASNPZLC-UHFFFAOYSA-N;101.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97548;MM97548;CON=CC(C)N;SEBRDSKEXMNZKP-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97549;MM97549;N=C(N)C(=O)CC(=O)CO;XJADQFYVRYNXAN-UHFFFAOYSA-N;144.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97550;MM97550;NN=C(NO)NOC=NO;JOIPOZLDHJFPTR-UHFFFAOYSA-N;149.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97551;MM97551;Nn1ccc(=NO)nc1;QQFARSUSHATWHD-UHFFFAOYSA-N;126.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97552;MM97552;CCN=CN(C)C;XXKGMXBJIMBFCS-UHFFFAOYSA-N;100.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97553;MM97553;Nc1cc(=NO)n(N)n1O;NOXZBOZLFMRZRA-UHFFFAOYSA-N;145.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97554;MM97554;CON=CN(C)N;ZTTPXMDPZKEUGZ-UHFFFAOYSA-N;103.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97555;MM97555;CCC=NN(C)C;FWXVUFLNENPJHD-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97556;MM97556;CNc1cc(=NO)n(N)o1;SVJCSZDUZICTOJ-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97557;MM97557;C=CC=CC(C)C;HQLSCIPCIFAMOK-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97558;MM97558;CC(C)C=CC#N;YZRARHFKUZRMCC-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97559;MM97559;C=CC=CC(C)N;WGMDGSKBWKFZIQ-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97560;MM97560;COC(=N)NOC=NO;YZKAGEHWAMTIAG-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97561;MM97561;C=CC=CC(C)F;BIUCOANSJAXTBM-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97562;MM97562;CC(F)C=CC#N;DPAGHAXKVYEVEQ-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97563;MM97563;C=CC=CC(F)F;CMRWOGMMQCIXDJ-UHFFFAOYSA-N;104.1;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97564;MM97564;N#CC=CC(F)F;BEKMEZBUDLBAEE-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97565;MM97565;C=NN=CC(C)C;DSIROZXTSDOVDS-UHFFFAOYSA-N;98.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97566;MM97566;C=NN=CC(C)O;NNERAAPZBJZWTK-UHFFFAOYSA-N;100.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97567;MM97567;Cc1c(O)[nH]c(=NN)n1O;WEVYIVLFYGZROF-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97568;MM97568;C=NN=CC(F)F;INRHLRUSYJPFIW-UHFFFAOYSA-N;106.08;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97569;MM97569;CN(C)C=CC#N;ZKKBIZXAEDFPNL-UHFFFAOYSA-N;96.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97570;MM97570;CN(C)C=NC=N;DGRWWXPXCMKVIN-UHFFFAOYSA-N;99.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97571;MM97571;CN(C)C=NC=O;KZQIDLFHPVGZQN-UHFFFAOYSA-N;100.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97572;MM97572;C=NN=CN(C)C;QOCYWORWSZBCHG-UHFFFAOYSA-N;99.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97573;MM97573;CN(C)N=CC=O;WJYMBVJBSFMDLE-UHFFFAOYSA-N;100.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97574;MM97574;C#CC=CC(C)O;DJGNJWKUPGDOIJ-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97575;MM97575;C#CC=CC(C)F;MXAZVIKVXSYQMY-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97576;MM97576;C#CC=CC(F)F;QKLLPNVFKCRJHA-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97577;MM97577;C=C(C)C=CCC;KUFLEYZWYCAZCC-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97578;MM97578;C=C(C)C=CCN;UDZNNZHEOPGIDA-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97579;MM97579;C=C(C)C=CCO;MOBNFYXTXZPNDI-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97580;MM97580;C=C(C)C=CCF;MXBFWANMYFLKSG-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97581;MM97581;CCC=CC(C)=O;LPCWMYHBLXLJJQ-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97582;MM97582;CCC=CC(=N)N;CGGYDSAUSCXDTN-UHFFFAOYSA-N;98.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97583;MM97583;N=C(N)C=CCN;BTPXBEZDTPYORH-UHFFFAOYSA-N;99.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97584;MM97584;N=C(N)C=CCO;ADDBRDVXPDXVDJ-UHFFFAOYSA-N;100.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97585;MM97585;N=C(N)C=CCF;QCFGBLBXCIMDTG-UHFFFAOYSA-N;102.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97586;MM97586;NCC=CC(N)=O;IMQYTQYAJQROAO-UHFFFAOYSA-N;100.12;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97587;MM97587;COCOCC(=NO)NN;STTBMHRKSBBVFX-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97588;MM97588;CCC=CC(=O)O;YIYBQIKDCADOSF-UHFFFAOYSA-N;100.12;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97589;MM97589;O=C(O)C=CCF;VLPAEVHYNQOJRT-UHFFFAOYSA-N;104.08;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97590;MM97590;C=C(F)C=CCC;CIBDBSRDRAREIQ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97591;MM97591;C=C(F)C=CCN;ZCZDZZJLDCJCLG-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97592;MM97592;C=C(F)C=CCO;BGBBOIOVZCHEEI-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97593;MM97593;C=C(F)C=CCF;FGQUPLASJUCDIZ-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97594;MM97594;CNC=CC(C)=O;FMNOCGZHRUSUJS-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97595;MM97595;CNC=CC(=N)N;JMSCVDXCQLSCOI-UHFFFAOYSA-N;99.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97596;MM97596;Cc1on(N)c(=NO)c1N;FTNPLJDEPBGSTG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97597;MM97597;C=C(C)C=COC;CEQACJSYZXQWRM-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97598;MM97598;C=C(F)C=COC;BHBMHNSDAWPZDT-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97599;MM97599;C=C(C)C=NNC;JTQKPDUJCGDXER-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97600;MM97600;NN=CN(N)CC=NO;ABYXOCQCBSLNCE-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97601;MM97601;C=Cn1nc(O)c(=O)o1;NOQHOPURPQLUQJ-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97602;MM97602;C=C(C)C=NOC;GVKACWNWGXUADI-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97603;MM97603;Cn1c(=NO)ncn1N;UAXHMUJKILKCLP-UHFFFAOYSA-N;129.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97604;MM97604;C=C(F)C=NOC;AOGIIFLGRUWERT-UHFFFAOYSA-N;103.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97605;MM97605;C=CC=CC(=C)C;PPWGXYXJMQAWSX-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97606;MM97606;C=CC=CC(C)=O;DACOGBAZMZEGQL-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97607;MM97607;N=CNN=C(N)OC=NO;CFIAJZOIQHAUTA-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97608;MM97608;C=CC=CC(=O)O;SDVVLIIVFBKBMG-UHFFFAOYSA-N;98.1;0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97609;MM97609;C=CC=CC(=C)F;ASWPQDDRHQHAPT-UHFFFAOYSA-N;98.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97610;MM97610;C=C(F)C=CC#N;UNAHTNNNKACULC-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97611;MM97611;Cn1nc(O)c(=O)o1;JQZFRRLTYYZVNS-UHFFFAOYSA-N;116.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97612;MM97612;C=NN=CC(=C)F;ZSAFMXFWFPDFJJ-UHFFFAOYSA-N;100.1;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97613;MM97613;C#CC=CC(=C)C;DDRYBMNQPFYOKF-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97614;MM97614;C#CC=CC(=O)O;OUIPBCNSMSGISS-UHFFFAOYSA-N;96.09;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97615;MM97615;C#CC=CC(=C)F;WAJFFQLOBWYMIY-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97616;MM97616;CCC#CC(C)C;POBOUPFSQKXZFZ-UHFFFAOYSA-N;96.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97617;MM97617;CC(C)C#CCF;GIKOBKKSZREWAI-UHFFFAOYSA-N;100.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97618;MM97618;CCC#CC(C)N;HYWHSNPLAWERHL-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97619;MM97619;CC(N)C#CCN;ZMMPGKQHEAUQDH-UHFFFAOYSA-N;98.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97620;MM97620;CC(N)C#CCO;OWQZBDJWQCBBDP-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97621;MM97621;CC(O)C#CCN;MFANYWFCOJHHCN-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97622;MM97622;CC(O)C#CCO;WYMDIPTZPQAKJW-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97623;MM97623;CCC#CC(C)F;QSNLNLBQJJNKGG-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97624;MM97624;CC(F)C#CCF;DNEVMUCAFCSOIS-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97625;MM97625;FCC#CC(F)F;CESASWHEHHYTIS-UHFFFAOYSA-N;108.06;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97626;MM97626;CC(C)C#CC=O;YXHSGWDKNZHUED-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97627;MM97627;C=CC#CC(C)N;DEQDVKXIJYQSTQ-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97628;MM97628;CC(F)C#CC=O;LMSPROAVQQTBML-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97629;MM97629;C=C(C)C#CCF;UYJYQMATWUOTTG-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97630;MM97630;CC(=O)C#CCO;ZBZDDBSOJGNXEW-UHFFFAOYSA-N;98.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97631;MM97631;N=C(N)C#CCO;BZAQVALCVITRGN-UHFFFAOYSA-N;98.11;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97632;MM97632;CCC#CC(=O)O;MINRDQDGBLQBGD-UHFFFAOYSA-N;98.1;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97633;MM97633;C=C(F)C#CCC;IBGSMIZIWITIMJ-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97634;MM97634;C=C(F)C#CCF;VEDRLPVCJOMNFR-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97635;MM97635;C=CC#CC(=C)F;XHTHEBVDIAFUOQ-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97636;MM97636;C=C(F)C#CC=O;SNKMRSNDUJUNAQ-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97637;MM97637;CCCC=C(C)C;BWEKDYGHDCHWEN-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97638;MM97638;CC(C)=CCCN;KGNHJDRDIDXUHY-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97639;MM97639;CC(C)=CCCO;FKKLUOCEIANSFL-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97640;MM97640;CC(C)=CCCF;GGTNEKUBIXJVTF-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97641;MM97641;CCCC=C(C)F;OJGZPVNWDMADDF-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97642;MM97642;CC(F)=CCCO;KNKUEJWSYTUXSQ-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97643;MM97643;CC(F)=CCCF;HZPAGYKVPJREBK-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97644;MM97644;CCCC=C(F)F;TVMVISNVWGBUGD-UHFFFAOYSA-N;106.12;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97645;MM97645;FCCC=C(F)F;AGSFCDUQOHXHSJ-UHFFFAOYSA-N;110.08;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97646;MM97646;COCC=C(C)C;MVQDNWRPFWUJRQ-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97647;MM97647;COCC=C(C)F;DVWPXYLHAWCXJY-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97648;MM97648;COCC=C(F)F;BBLAKNSUSZFECP-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97649;MM97649;CCOC=C(C)C;IHCLUFSKPOJGDC-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97650;MM97650;CCOC=C(C)F;RCXBYIQULLPWSO-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97651;MM97651;CCOC=C(F)F;UJEPRENVQVGLJD-UHFFFAOYSA-N;108.09;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97652;MM97652;CCNN=C(C)C;USOUWWPTYXEQDQ-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97653;MM97653;C=CCC=C(C)C;VSQLAQKFRFTMNS-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97654;MM97654;CC(C)=CCC#N;AYDNYRHVOPYCDZ-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97655;MM97655;C=CCC=C(C)F;SGVVMDFZDYUXEJ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97656;MM97656;CC(F)=CCC#N;VKUSEPSBWKXTGT-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97657;MM97657;C=CCC=C(F)F;XONBTODSDBPGGG-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97658;MM97658;N#CCC=C(F)F;VZRYGBPWBYQISI-UHFFFAOYSA-N;103.07;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97659;MM97659;C=COC=C(C)C;JDNMUPJPZXFQAG-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97660;MM97660;CC(C)=COC=O;LVFLDHKYQZGHDY-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97661;MM97661;C=COC=C(C)F;OWEBNGCQQWGUCV-UHFFFAOYSA-N;102.11;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97662;MM97662;CC(F)=COC=O;DNVLJQFVAGSQFL-UHFFFAOYSA-N;104.08;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97663;MM97663;C=COC=C(F)F;APOVTVWDPCEAQP-UHFFFAOYSA-N;106.07;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97664;MM97664;O=COC=C(F)F;QUKUJTYZCHQSLW-UHFFFAOYSA-N;108.04;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97665;MM97665;CC(C)=NNC=O;RCBMYNQWQOBWOB-UHFFFAOYSA-N;100.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97666;MM97666;CC(C)=NOC=O;NLSBINLQAHVRMJ-UHFFFAOYSA-N;101.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97667;MM97667;C#CCC=C(C)C;JIZWRTKXYWZDFP-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97668;MM97668;C#CCC=C(C)F;YURQYGODDWBYNL-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97669;MM97669;C#CCC=C(F)F;RODPBOUHXFVJRZ-UHFFFAOYSA-N;102.08;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97670;MM97670;CC=CC=C(C)C;PRTJSZPCEHPORP-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97671;MM97671;CC(C)=CC=CF;NNNGLIXIYQZPMD-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97672;MM97672;CC=CC=C(C)F;FCEUQWHXZYPYMD-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97673;MM97673;CC(F)=CC=CF;OTLVJKVSEPXWMP-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97674;MM97674;CC=CC=C(F)F;VSPNUIQZOFPOJC-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97675;MM97675;FC=CC=C(F)F;HDZZLSVHHHKKQQ-UHFFFAOYSA-N;108.06;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97676;MM97676;CC(C)=CC=NN;QVEKASQTSJFUIB-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97677;MM97677;CNN(C)C(CC#N)=NO;QLELDRAOEXBTLH-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97678;MM97678;CC(F)=CC=NN;OATLXTBVGJRRIG-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97679;MM97679;CC(F)=CC=NO;ZGTLCMNODHHBIT-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97680;MM97680;NN=c1[nH]c(O)cn1O;UJWYJJOFZCNYSM-UHFFFAOYSA-N;130.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97681;MM97681;NN=CC=C(F)F;PWODDSCUYFQCCR-UHFFFAOYSA-N;106.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97682;MM97682;CC#CC=C(C)C;BTRDEJAUYPPKSS-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97683;MM97683;CC#CC=C(C)F;XUPUPXKQBNQOCC-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97684;MM97684;CC#CC=C(F)F;VIDUBDHYTPREFA-UHFFFAOYSA-N;102.08;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97685;MM97685;CC1CCC1(C)C;WKCRXXSHXACCJV-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97686;MM97686;CC1(C)CCC1N;MMWAHLXGFZBYQU-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97687;MM97687;Cc1ncn(C=N)c1O;YSQGUUBXBJGGCO-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97688;MM97688;CC1(C)CCC1F;WWVYMMNXDLZGFP-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97689;MM97689;CC1CCC1(C)N;CCWKQPXFMZCOTR-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97690;MM97690;CC1(N)CCC1N;LALUZPHSSLKIMO-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97691;MM97691;CC1(N)CCC1O;PYCIXUNXWKGAGG-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97692;MM97692;CC1(N)CCC1F;XETAPMGAKISZGN-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97693;MM97693;Cc1c(O)c(N)n(N)c1N;GZMRYBYEMJOMKV-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97694;MM97694;CC1(O)CCC1N;KWXCRCUYAMGCIU-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97695;MM97695;CC1(O)CCC1O;AUIKLSXVOASOKC-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97696;MM97696;CC1(O)CCC1F;IBOZYTUWTBKPJR-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97697;MM97697;CC1CCC1(C)F;JDBBTBOCZZREFH-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97698;MM97698;CC1(F)CCC1N;WBGYTTUFRCQCMX-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97699;MM97699;CC1(F)CCC1O;AYOVJCGTBXOBKL-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97700;MM97700;CC1(F)CCC1F;MWFHWBGGOTVPMA-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97701;MM97701;CC1CCC1(F)F;VKRAFKPCCLFGOG-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97702;MM97702;CC1NCC1(C)C;AYXKQRBJYSCZFP-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97703;MM97703;CC1NCC1(C)N;ZIDGKVKYJQIQSK-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97704;MM97704;CC1NCC1(C)O;XFSHKQNHVLCBRA-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97705;MM97705;CC1OCC1(C)C;KUTQUJKLMUSJFL-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97706;MM97706;CC1OCC1(C)N;IXQPWGJSCYHKGW-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97707;MM97707;CC1OCC1(C)O;AOZYBFKIPADBTC-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97708;MM97708;CC1OCC1(C)F;HZBVNSSZYPEXBP-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97709;MM97709;CC1CNC1(C)C;HNIFLEDIIDJDLD-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97710;MM97710;CC1(C)NCC1N;ZCEXCGGKCZIFOF-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97711;MM97711;CC1(C)NCC1O;LIKWVCWXVKHDSZ-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97712;MM97712;CC1COC1(C)C;ICRKLQDGASQJFT-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97713;MM97713;CC1(C)OCC1N;CBCMSXOYKIOJPH-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97714;MM97714;CC1(C)OCC1O;IFBHFJLYXAGPBL-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97715;MM97715;CC1(C)OCC1F;YFTBYYZAMQBPBB-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97716;MM97716;CN1CCC1(C)C;DKGAMNNTSPRLNF-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97717;MM97717;CC1(C)CCC1=O;DOPFCVBSOPCWAQ-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97718;MM97718;CC1(O)CCC1=O;WDDUWDMJZNFCGQ-UHFFFAOYSA-N;100.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97719;MM97719;O=C1CCC1(F)F;QJNGLWNXRCSGCM-UHFFFAOYSA-N;106.07;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97720;MM97720;CC1(C)CNC1=O;DCAKVVTXKWWUGN-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97721;MM97721;CC1(O)CNC1=O;UBPRLUZYJJOFNZ-UHFFFAOYSA-N;101.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97722;MM97722;CC1(F)CNC1=O;LVUQJEWKTFLRAS-UHFFFAOYSA-N;103.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97723;MM97723;CC1(C)COC1=O;ULKFLOVGORAZDI-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97724;MM97724;CC1(O)COC1=O;GMYYPABYVLBVMF-UHFFFAOYSA-N;102.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97725;MM97725;CC1(F)COC1=O;LZNZNHYLXAANHH-UHFFFAOYSA-N;104.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97726;MM97726;N=c1ncn(N)oc1=NO;JHYSOWYEURENKT-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97727;MM97727;CC1(C)OCC1=O;YFOSTDMTAXUXED-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97728;MM97728;CCC1CC1(C)C;UDCRTPSZNQOKRO-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97729;MM97729;CC1(C)CC1CN;FPMPHZAUZKHZNK-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97730;MM97730;Cc1ncc(O)n1N;OEYWJHWCKPIZLL-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97731;MM97731;CC1(C)CC1CF;HSKSLBMJBBRYFA-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97732;MM97732;CCC1CC1(C)N;DMZKCEVZIPRVKQ-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97733;MM97733;CC1(N)CC1CN;VSEDMSVMFHOTHK-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97734;MM97734;CC1(N)CC1CO;XXTFJQADAWBPGA-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97735;MM97735;CC1(N)CC1CF;MHSCIFCWCHDVAJ-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97736;MM97736;N#CCCNCC=NO;AGXVUABQYABTHP-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97737;MM97737;CC1(O)CC1CN;IJAMMVCYFSGWCD-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97738;MM97738;CC1(O)CC1CO;VZUXFKXEIWSCMN-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97739;MM97739;CC1(O)CC1CF;HUHSIOKFSPUVHE-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97740;MM97740;CCC1CC1(C)F;MCTYCOIGAPCVQL-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97741;MM97741;CC1(F)CC1CN;NRBPHMDCQXBOFG-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97742;MM97742;CC1(F)CC1CO;WFXACDYPXOZIOE-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97743;MM97743;CC1(F)CC1CF;ZDPOLHVZOCSQAP-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97744;MM97744;CCC1CC1(F)F;NNHJAGVJGIPACA-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97745;MM97745;NCC1CC1(F)F;ISMZEPBEQCSYFX-UHFFFAOYSA-N;107.1;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97746;MM97746;OCC1CC1(F)F;XOLSMTBBIZDHSG-UHFFFAOYSA-N;108.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97747;MM97747;FCC1CC1(F)F;VWLGGJASRRBTTM-UHFFFAOYSA-N;110.08;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97748;MM97748;CNC1CC1(C)C;PLJZKLHAOXVOPY-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97749;MM97749;CNC1CC1(C)N;FMDIFNLMYOYTCT-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97750;MM97750;CNC1CC1(C)O;VKLOOTXEQTZLPR-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97751;MM97751;CNC1CC1(C)F;HOTMWRHNHPSWGK-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97752;MM97752;COC1CC1(C)C;DIFLACVKHFMSON-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97753;MM97753;COC1CC1(C)N;YACLHDUXSHLGNU-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97754;MM97754;COC1CC1(C)O;AOMMKYXXXGIPAE-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97755;MM97755;COC1CC1(C)F;QRKNXDSZZMEHSF-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97756;MM97756;COC1CC1(F)F;XLRLXCWYRALTOY-UHFFFAOYSA-N;108.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97757;MM97757;CC1(C)NC1CN;KMBLSFLDNKOLSM-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97758;MM97758;CC1(C)NC1CF;VGJFUCTUCPJSJL-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97759;MM97759;CCC1OC1(C)C;OZVWXRGXOYUQEJ-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97760;MM97760;CC1(C)OC1CN;DQBUPTLUIDVBSH-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97761;MM97761;CC1(C)OC1CO;HJXAWVLTVYGIBH-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97762;MM97762;CC1(C)OC1CF;BEVAZDLFHOZQIL-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97763;MM97763;CC1(C)CCCC1;QWHNJUXXYKPLQM-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97764;MM97764;CC1(N)CCCC1;TWASBYPJZBHZQJ-UHFFFAOYSA-N;99.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97765;MM97765;C#CC(CF)NCC=NO;RGYDLZZQCZGTSV-UHFFFAOYSA-N;144.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97766;MM97766;CC1(F)CCCC1;XZJVZYHXAPOIEG-UHFFFAOYSA-N;102.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97767;MM97767;FC1(F)CCCC1;QPTDDOUBRQFLQW-UHFFFAOYSA-N;106.12;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97768;MM97768;CC1(C)CCNC1;XBQNZPDIRJPFAI-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97769;MM97769;CC1(N)CCNC1;WGOWOSXVPSBDEY-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97770;MM97770;CC1(O)CCNC1;ILBDVRCFTYQLOE-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97771;MM97771;CC1(F)CCNC1;OKAPCSXSRDTDMC-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97772;MM97772;CC1(C)CCOC1;WDKUXUZYKCXAHC-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97773;MM97773;CC1(N)CCOC1;VSAPWIUQDZKEBG-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97774;MM97774;CC1(O)CCOC1;OLCMEOZFMPJHCK-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97775;MM97775;CC1(F)CCOC1;SPKFALTWNKPUMV-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97776;MM97776;FC1(F)CCOC1;SNQZWUCFHZYROI-UHFFFAOYSA-N;108.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97777;MM97777;CC1(C)CCCN1;PHODFIDDEBEGCS-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97778;MM97778;CC1(C)CCCO1;ZPDIRKNRUWXYLJ-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97779;MM97779;CC1(C)COCO1;MVYGFAZZLWOFNN-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97780;MM97780;CC1(C)OCCO1;SIJBDWPVNAYVGY-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97781;MM97781;CC1(C)CC=CC1;LKXAUCPURVBMRN-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97782;MM97782;CC1(N)CC=CC1;ZPMRKSUZGGSTQZ-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97783;MM97783;CNN=CNC(C=O)C=O;DTLOCMKEQJKYTN-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97784;MM97784;CC1(F)CC=CC1;ZNJOSPZKDHUPJE-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97785;MM97785;FC1(F)CC=CC1;VHNNSNNVWSXSQQ-UHFFFAOYSA-N;104.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97786;MM97786;CC1(C)CC=NN1;FLYZAKYDSFYRRD-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97787;MM97787;CC1(C)CN=CN1;OVABIFHEPZPSCK-UHFFFAOYSA-N;98.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97788;MM97788;CC1(C)CC=CO1;PHFSBQBIZUORSR-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97789;MM97789;CC1(C)CC=NO1;DIYSFZUJSGOINT-UHFFFAOYSA-N;99.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97790;MM97790;CC1(C)OC=CO1;GVIVQCNNFDHBAG-UHFFFAOYSA-N;100.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97791;MM97791;CC1(C)OC=NO1;PYWYDOSEWYXQFQ-UHFFFAOYSA-N;101.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97792;MM97792;CC1(C)C=CCC1;FONFXXNTLGAHGI-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97793;MM97793;CC1(N)C=CCC1;OVSNRBSXUCXFJO-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97794;MM97794;Cc1cn(N)cnc1=NO;APCUPLPENDFXND-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97795;MM97795;CC1(F)C=CCC1;NNBGSWZIFBGCRB-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97796;MM97796;FC1(F)C=CCC1;VSQNMSGIECRZCI-UHFFFAOYSA-N;104.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97797;MM97797;CC1(C)C=NNC1;BTZGCCPIPXZPCK-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97798;MM97798;ON=CCC#CC1CN1;WLJUISZGIUJJEO-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97799;MM97799;CCNc1ncc(F)[nH]1;JRKLGVDCMXVUPW-UHFFFAOYSA-N;129.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97800;MM97800;N=C(C=NN)NOC=NO;OMJZBJALXBQVNF-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97801;MM97801;CC1(C)C=COC1;KOAQWMDGHXKJPH-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97802;MM97802;CC1(N)C=COC1;WHLCNWCFCLGXNQ-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97803;MM97803;CC1(O)C=COC1;YAFBGCMMSUZJFC-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97804;MM97804;CC1(F)C=COC1;MQSSBLHDWXMEEZ-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97805;MM97805;FC1(F)C=COC1;NYWMYPAIFWOOSK-UHFFFAOYSA-N;106.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97806;MM97806;CC1(C)C=NOC1;UJZWHHMQORQWGC-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97807;MM97807;Cn1c(N)c(O)oc1=NN;BYJZYPYDBRSOQW-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97808;MM97808;CC1(F)C=NOC1;TZCXBPYWONIWIJ-UHFFFAOYSA-N;103.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97809;MM97809;FC1(F)C=NOC1;CIBRKFBTFOHJSV-UHFFFAOYSA-N;107.06;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97810;MM97810;CC1(C)C=CCN1;HWWZYEZNWPXENN-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97811;MM97811;CC1(C)C=CCO1;VTJBOLLYKNPLGP-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97812;MM97812;CC1(C)C=CC=C1;QWJWPDHACGGABF-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97813;MM97813;CC1(N)C=CC=C1;PZJDAJKRGBOMCD-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97814;MM97814;CC1NC1C=NO;GCYFAWOPRVTUHB-UHFFFAOYSA-N;100.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97815;MM97815;CC1(F)C=CC=C1;DGIQWFWXEMQING-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97816;MM97816;FC1(F)C=CC=C1;ZTXWCIWMKJOURT-UHFFFAOYSA-N;102.08;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97817;MM97817;CC1(C)C=NN=C1;VQKIBNYBXZAFCM-UHFFFAOYSA-N;96.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97818;MM97818;CC1(O)C=NN=C1;SQFISOQQVWBFTB-UHFFFAOYSA-N;98.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97819;MM97819;CC1(F)C=NN=C1;BSSQPIXZUSAPSD-UHFFFAOYSA-N;100.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97820;MM97820;FC1(F)C=NN=C1;ULZZSNPETDCHAC-UHFFFAOYSA-N;104.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97821;MM97821;Cn1c(O)cn(O)c1=NN;XYHFGOJTNYPXKO-UHFFFAOYSA-N;144.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97822;MM97822;CC1C(F)C1(C)C;VLCOBBGBCNOXMS-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97823;MM97823;CC1(C)C(N)C1F;PNVFISVQNRNHEG-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97824;MM97824;CC1(C)C(O)C1F;FQDMHTNDNDNSFO-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97825;MM97825;CC1(C)C(F)C1F;SJKDWMCHKJGYRU-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97826;MM97826;CC1C(O)C1(C)N;XWKONYDGGKLWCV-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97827;MM97827;CC1C(F)C1(C)N;SLMDULDDRBNBKV-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97828;MM97828;CC1(N)C(O)C1O;UTVMFXRNTFVRBR-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97829;MM97829;CC1C(O)C1(C)O;IFEWQBLRCLRYPJ-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97830;MM97830;CC1C(F)C1(C)O;BGLIJCBMHFSISP-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97831;MM97831;CC1(O)C(N)C1O;OTKFBFWRINCQDF-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97832;MM97832;CC1(O)C(O)C1O;UNXNSXCGLMTXBE-UHFFFAOYSA-N;104.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97833;MM97833;CC1(O)C(O)C1F;KKLQBKBVSFMNCE-UHFFFAOYSA-N;106.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97834;MM97834;CC1(O)C(F)C1F;HZBVVSGMRCXWIY-UHFFFAOYSA-N;108.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97835;MM97835;CC1C(O)C1(C)F;KNOBDHCPIUARHJ-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97836;MM97836;CC1C(F)C1(C)F;PMQYJIXPEMAKKB-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97837;MM97837;CC1(F)C(O)C1O;SPKSKRDXLPGMLM-UHFFFAOYSA-N;106.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97838;MM97838;CC1(F)C(O)C1F;HICWNNMKNHCRIV-UHFFFAOYSA-N;108.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97839;MM97839;CC1(F)C(F)C1F;PLNZPBVENXHPRP-UHFFFAOYSA-N;110.08;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97840;MM97840;CC1C(O)C1(F)F;UNGFVSHBRURJQN-UHFFFAOYSA-N;108.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97841;MM97841;CC1C(F)C1(F)F;FBBTVEDXTKKOAP-UHFFFAOYSA-N;110.08;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97842;MM97842;NC1C(F)C1(F)F;YKYXUYTXOGPCHR-UHFFFAOYSA-N;111.07;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97843;MM97843;CCCC(C)CC;VLJXXKKOSFGPHI-UHFFFAOYSA-N;100.21;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97844;MM97844;CNc1ncc(F)[nH]1;NERADGYETHKFKH-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97845;MM97845;CCC(C)CCF;LLZMJFMJTAKKPT-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97846;MM97846;CCCC(C)CN;WNDXRJBYZOSNQO-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97847;MM97847;CC(CN)CCN;GGQJPAQXCYUEKB-UHFFFAOYSA-N;102.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97848;MM97848;CNN=CN(N)CC=NO;XLBAPRGUUBKMMW-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97849;MM97849;CCCC(C)CF;ZXIWYFCHHRVWOX-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97850;MM97850;CCCC(N)CC;HQLZFBUAULNEGP-UHFFFAOYSA-N;101.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97851;MM97851;NCCC(N)CN;KODVEKZCSDEPTL-UHFFFAOYSA-N;103.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97852;MM97852;NCC(N)CCO;WIYMETYMVDXKRR-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97853;MM97853;NCCC(N)CO;LGUSYNSKJNOQKY-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97854;MM97854;NC(CO)CCO;PYBVXNWDSBYQSA-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97855;MM97855;NCCC(N)CF;FDWLOMXJKSPBKJ-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97856;MM97856;NC(CF)CCO;VPFNLDYVTFQXCE-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97857;MM97857;NN=c1c(O)c(N)on1N;NUOMIRJLOQENPA-UHFFFAOYSA-N;145.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97858;MM97858;NCCC(O)CN;HXMVNCMPQGPRLN-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97859;MM97859;NCC(O)CCO;AZWLGPJBVAQRHW-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97860;MM97860;NCC(O)CCF;WOCGBAGQWRJISG-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97861;MM97861;NCCC(O)CO;ARZSRJNMSIMAKS-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97862;MM97862;OCCC(O)CO;ARXKVVRQIIOZGF-UHFFFAOYSA-N;106.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97863;MM97863;OCC(O)CCF;ZVQZMHORAYWONP-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97864;MM97864;NCCC(O)CF;OJDVYHXJGFDQRZ-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97865;MM97865;OCCC(O)CF;HGYDHRBQMOUSPP-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97866;MM97866;CCCC(F)CC;OZNLYXKOYORFRP-UHFFFAOYSA-N;104.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97867;MM97867;CCC(F)CCO;XOFAMHBRBMRCPR-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97868;MM97868;NCCC(F)CN;UXPDKSJKRZTDJT-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97869;MM97869;NCC(F)CCO;SAKHABRQMIQAAY-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97870;MM97870;NCCC(F)CO;NFAZQVYIFOIHPP-UHFFFAOYSA-N;107.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97871;MM97871;OCCC(F)CO;IBZHQYDVHLIBLL-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97872;MM97872;CCCC(F)CF;JKYLNUHIUDXCMN-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97873;MM97873;FCCC(F)CF;ILXDPGUYBXHYQF-UHFFFAOYSA-N;112.09;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97874;MM97874;CCC(C)CNC;OSUSHJKMXVMILZ-UHFFFAOYSA-N;101.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97875;MM97875;CNCC(N)CN;CANSVBFJDVVCTO-UHFFFAOYSA-N;103.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97876;MM97876;CNCC(N)CO;JILLBSYVFXHBBT-UHFFFAOYSA-N;104.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97877;MM97877;CNCC(N)CF;NTUNMGJPDQUMRP-UHFFFAOYSA-N;106.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97878;MM97878;CNCC(O)CN;KLYMOBVXBBPTGW-UHFFFAOYSA-N;104.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97879;MM97879;CNCC(O)CO;WOMTYMDHLQTCHY-UHFFFAOYSA-N;105.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97880;MM97880;CNCC(O)CF;DAJBQHSZEOFNOD-UHFFFAOYSA-N;107.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97881;MM97881;CCC(F)CNC;FGTAPYZWGOJSFQ-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97882;MM97882;CNCC(F)CN;IVEMKUOUOUWXKI-UHFFFAOYSA-N;106.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97883;MM97883;CNCC(F)CO;PUMLTKHKTQKRTE-UHFFFAOYSA-N;107.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97884;MM97884;CCC(C)COC;XGLHRCWEOMNVKS-UHFFFAOYSA-N;102.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97885;MM97885;COCC(C)CF;RXGZXPWOHVYCDP-UHFFFAOYSA-N;106.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97886;MM97886;CCC(N)COC;QAFODUGVXFNLBE-UHFFFAOYSA-N;103.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97887;MM97887;COCC(N)CN;LNPOMYDQIBCEEO-UHFFFAOYSA-N;104.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97888;MM97888;COCC(N)CO;KRWNDTAVKGMNDQ-UHFFFAOYSA-N;105.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97889;MM97889;COCC(N)CF;QICPZZSTTKOEAL-UHFFFAOYSA-N;107.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97890;MM97890;COCC(O)CN;IDSWHVZEQHESIJ-UHFFFAOYSA-N;105.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97891;MM97891;COCC(O)CO;PSJBSUHYCGQTHZ-UHFFFAOYSA-N;106.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97892;MM97892;CCC(F)COC;WZQVIHSKEKBWSC-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97893;MM97893;COCC(F)CN;BHXJIJFQIQVXKR-UHFFFAOYSA-N;107.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97894;MM97894;COC(C)CCO;JSGVZVOGOQILFM-UHFFFAOYSA-N;104.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97895;MM97895;COC(C)CCF;LTWFAWXOSFGHDB-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97896;MM97896;CCNC(C)CC;KFYKZKISJBGVMR-UHFFFAOYSA-N;101.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97897;MM97897;CCNC(C)CF;SHQZJEWKFRDGRZ-UHFFFAOYSA-N;105.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97898;MM97898;CCOC(C)CC;VSCUCHUDCLERMY-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97899;MM97899;CCOC(C)CF;YZUGYUGNGYGVRF-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97900;MM97900;CCCN(C)CC;SMBYUOXUISCLCF-UHFFFAOYSA-N;101.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97901;MM97901;CCN(C)CCN;ZALYCGKBKHHGAF-UHFFFAOYSA-N;102.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97902;MM97902;CCC(C)CC=O;YJWJGLQYQJGEEP-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97903;MM97903;CC(CF)CC#N;DPQIFPNAUOUGLT-UHFFFAOYSA-N;101.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97904;MM97904;CCNCC(C#N)C#N;QWQYQGBSIFODKK-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97905;MM97905;O=CCC(O)CO;CQSYGAZTCJHVFE-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97906;MM97906;N#CCC(O)CO;MXKPBRJADBPHSC-UHFFFAOYSA-N;101.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97907;MM97907;C=CCC(O)CF;MHUALCNALHOKKQ-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97908;MM97908;C=CCC(F)CC;TXGHCXIJLTXLHJ-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97909;MM97909;CCC(F)CC#N;JWINRXMXGJHEGF-UHFFFAOYSA-N;101.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97910;MM97910;C=CCC(F)CO;BPOHLZDPTSGEKJ-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97911;MM97911;C=CCC(F)CF;MYYOBAGMIXAUIX-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97912;MM97912;C=CCC(C)OC;WGBHWNNNRKACER-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97913;MM97913;CC(CN)NC=N;CXYCQIFNAZALDZ-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97914;MM97914;CC(CN)NC=O;NIRULYFCGNKTIC-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97915;MM97915;CC(CO)NC=N;HAEMNKYTWRZBEC-UHFFFAOYSA-N;102.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97916;MM97916;CC(CO)NC=O;ZEUHEBVQCRZUER-UHFFFAOYSA-N;103.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97917;MM97917;CC(CF)NC=N;LCXCZYXBVMHCKO-UHFFFAOYSA-N;104.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97918;MM97918;Cc1nc(=NO)n(N)n1C;BUCPCKXCDOBPHW-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97919;MM97919;C=COC(C)CC;PIUJWWBOMGMSAY-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97920;MM97920;CCC(C)OC=O;OAEQYDZVVPONKW-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97921;MM97921;C=COC(C)CF;XDUQRUDRNOIPAA-UHFFFAOYSA-N;104.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97922;MM97922;C=NOC(C)CC;GVMWGYTXLFXUSG-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97923;MM97923;C=NOC(C)CN;MRKVQPDHRXOGBS-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97924;MM97924;C=NOC(C)CF;NMSODIHJLDKGHU-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97925;MM97925;CCN(C)NC=N;DUZMUCYRAUNMOS-UHFFFAOYSA-N;101.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97926;MM97926;C=C1C(=NO)N=CN1C;LJQBVOUXNADZTP-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97927;MM97927;C#CCC(O)CO;AITIYGVGTCTFFC-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97928;MM97928;C#CCC(O)CF;WXHSCLXSPCDLOL-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97929;MM97929;C#CCC(F)CC;KMFDTFJRXBKAKN-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97930;MM97930;C#CCC(F)CN;YVHOMPZIJAFZSY-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97931;MM97931;C#CCC(F)CO;HRLRIXQZNODTNG-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97932;MM97932;C#CCC(F)CF;NSCHCVNOJHUAIW-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97933;MM97933;C#CCC(C)OC;NLEVNRGIGMDSKC-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97934;MM97934;C#CCN(C)CC;JMNBTXMXEHVQIO-UHFFFAOYSA-N;97.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97935;MM97935;C=CC(C)CCC;RITONZMLZWYPHW-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97936;MM97936;NN=c1[nH]cco1;JEVYQNNQZSTIDD-UHFFFAOYSA-N;99.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97937;MM97937;CC(C#N)CCF;NMFIMZFNXYBSGC-UHFFFAOYSA-N;101.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97938;MM97938;C=CC(N)CCC;WYAKBMRDDZSEPR-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97939;MM97939;C=CC(N)CCN;TXISSXVEDPIODM-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97940;MM97940;C=CC(N)CCO;FZXLYJICRBQJMA-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97941;MM97941;CCOC(=N)NOC=NO;FWEFXYZOYFPKOU-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97942;MM97942;O=CC(O)CCO;NKVLMFFGFYHDNE-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97943;MM97943;N#CC(O)CCO;CGVFGPIRAHAZKO-UHFFFAOYSA-N;101.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97944;MM97944;N#CC(O)CCF;JWCDABBCLIMHNC-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97945;MM97945;C=CC(F)CCC;JCSLEJBTMJWFBL-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97946;MM97946;C=CC(F)CCN;IDHBMLSQVRCLNW-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97947;MM97947;C=CC(F)CCF;PVFMBIZZVXNLOV-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97948;MM97948;CCCC(F)C=O;ISKNZHWJUDSDMU-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97949;MM97949;CCCC(F)C#N;WHVNYFDYNQZZSZ-UHFFFAOYSA-N;101.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97950;MM97950;O=CC(F)CCO;VTBQTGKEQWKCFX-UHFFFAOYSA-N;106.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97951;MM97951;C=CC(N)CNC;QRVOZPKGEGLZAR-UHFFFAOYSA-N;100.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97952;MM97952;CNCC(O)C=O;VCVFUEIWJCAMNA-UHFFFAOYSA-N;103.12;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97953;MM97953;C=CC(C)COC;JROPOHBNADIELR-UHFFFAOYSA-N;100.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97954;MM97954;COCC(O)C=O;OHLOPQAAMJVRMC-UHFFFAOYSA-N;104.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97955;MM97955;C=CC(C)OCC;ZUQOHENQXGWDMQ-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97956;MM97956;CCOC(C)C=O;CKQJKQXELPQTSS-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97957;MM97957;CCCN(C)C=N;RVBWDSOYSQRVEI-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97958;MM97958;CN(C=N)CCN;HKLWEHVUMSBNHN-UHFFFAOYSA-N;101.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97959;MM97959;CN(C=N)CCF;MGMZTQHSBPQNRT-UHFFFAOYSA-N;104.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97960;MM97960;CN(C=O)CCN;FHKTZTQAFAHYTH-UHFFFAOYSA-N;102.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97961;MM97961;CN(C=O)CCF;JLBJYJPLQKLPHJ-UHFFFAOYSA-N;105.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97962;MM97962;N=CN(N)CCO;GKFCONJSDNFOLC-UHFFFAOYSA-N;103.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97963;MM97963;N=CN(N)CCF;YMXPACLGNBEJIE-UHFFFAOYSA-N;105.12;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97964;MM97964;NN(C=O)CCF;XJCNXTFSVSKBHI-UHFFFAOYSA-N;106.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97965;MM97965;N=CN(O)CCN;GEODZRKCEKESMU-UHFFFAOYSA-N;103.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97966;MM97966;CCCN(O)C=O;HQFZMPMXRXHDHI-UHFFFAOYSA-N;103.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97967;MM97967;C=NN(C)CCC;RIUBBWHDGSZUKS-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97968;MM97968;C=NN(C)CCN;BILLPCGSAWBODV-UHFFFAOYSA-N;101.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97969;MM97969;CCNN(C)C=O;CIGRREXYYLMJEH-UHFFFAOYSA-N;102.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97970;MM97970;C=CCC(C)C#N;SDSLOASSKRFQHW-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97971;MM97971;CC(C=O)CC=O;BQPPGEDHWKAEDR-UHFFFAOYSA-N;100.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97972;MM97972;C=CC(O)CC#N;PBCLOVRWBLGJQA-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97973;MM97973;C=CCC(O)C#N;YFJKKUYODGCDDF-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97974;MM97974;O=CCC(O)C=O;VTERBIYJBWDXDT-UHFFFAOYSA-N;102.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97975;MM97975;N#CC(O)CC=O;XGMHUSJWOKNNMI-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97976;MM97976;C=CCC(F)C=C;NJYLEEUDCHZIOD-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97977;MM97977;CCC(O)C(=NO)N(C)N;BVOLPGBZMMGIHA-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97978;MM97978;CC(C=O)NC=O;DFHJIHVEDIIDDI-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97979;MM97979;C=CC(C)OC=O;AKJAUMDZYIZTHP-UHFFFAOYSA-N;100.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97980;MM97980;C=COC(C)C=O;MEFBMENSYAAFQM-UHFFFAOYSA-N;100.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97981;MM97981;C=COC(C)C#N;SKJVXNIMISTFMU-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97982;MM97982;CC(C=O)OC=O;XNWRZCQKQJHEGJ-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97983;MM97983;C=CC(C)ON=C;KUWDBTGQYPRBGW-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97984;MM97984;C=CCN(C)C=N;JTSFMBMSDYSSCP-UHFFFAOYSA-N;98.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97985;MM97985;CN(C=N)CC=O;LRSGYJPHEBVSNP-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97986;MM97986;Nc1cc(=NO)ncn1N;MAONHWRYFZEWIF-UHFFFAOYSA-N;141.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97987;MM97987;C=CCN(N)C=N;ORAUOULTBCVWJE-UHFFFAOYSA-N;99.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97988;MM97988;CN(C=N)NC=N;CEISFELYAALIAJ-UHFFFAOYSA-N;100.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97989;MM97989;CN(C=N)NC=O;NWTDOPDSEQYJFD-UHFFFAOYSA-N;101.11;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97990;MM97990;CN(C=O)NC=N;SCHKQMYXRHKOSK-UHFFFAOYSA-N;101.11;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97991;MM97991;CN(C=O)NC=O;MRDAORQBLAUHIC-UHFFFAOYSA-N;102.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97992;MM97992;C#CCC(C)C=O;NHGFLTVYMNRKTM-UHFFFAOYSA-N;96.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97993;MM97993;C#CCC(F)C=C;OWLWPYJWRLPXMT-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97994;MM97994;C#CC(C=O)NCC=NO;DVSKLCRKBLNCPI-UHFFFAOYSA-N;140.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97995;MM97995;C#CC(C)CCF;BBHOTHSDBDSWQI-UHFFFAOYSA-N;100.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97996;MM97996;C#CC(N)CCN;DXMNLPTXINKUOK-UHFFFAOYSA-N;98.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97997;MM97997;C#CC(N)CCO;HKGLKSNOXALFCJ-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97998;MM97998;C#CC(O)CCN;HEHMLHQEWFZBMT-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM97999;MM97999;C#CC(O)CCO;XFNOPHWHXYKKTN-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98000;MM98000;C#CC(F)CCC;UCIQXFJAXXYWAI-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98001;MM98001;C#CC(N)CNC;MGVXNOZFGVTXOR-UHFFFAOYSA-N;98.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98002;MM98002;C#CC(O)CNC;PZFWAOCMTPDEJK-UHFFFAOYSA-N;99.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98003;MM98003;C#CC(C)COC;LWVMLGUPGSPJRO-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98004;MM98004;C#CC(C)NCC;QLRHZFZGPBVQQS-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98005;MM98005;C#CC(C)OCC;MQHNYRINDRJNQK-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98006;MM98006;C#CC(F)CC=C;VMYACMHWJMBZOK-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98007;MM98007;C#CC(C)NC=N;GMARGTVPTAAGIX-UHFFFAOYSA-N;96.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98008;MM98008;C#CC(C)NC=O;RBBGCLGCLSEGBM-UHFFFAOYSA-N;97.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98009;MM98009;C#CC(C)OC=O;HLAFEOSSQKSUSK-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98010;MM98010;C#CC(C)ON=C;XFYNOTQAOCAHIL-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98011;MM98011;C=C(F)CNCC=NO;ARLCNAPJMLOJQA-UHFFFAOYSA-N;132.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98012;MM98012;C=C(CC)CCF;ISRWUYDVGBNDTI-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98013;MM98013;C=C(CN)CCO;WKDHACJYWCUZDW-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98014;MM98014;C=C(CF)CCO;ZURHFDBKAOZNNI-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98015;MM98015;C=C(CF)CCF;LTJAPNFAKIEOEG-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98016;MM98016;C=C(CN)CNC;XJFYRSDZGXONKZ-UHFFFAOYSA-N;100.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98017;MM98017;C=C(CC)COC;FDXAPWDAAWIDKX-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98018;MM98018;COCC(=O)CO;IHYXTIZGRRSCNF-UHFFFAOYSA-N;104.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98019;MM98019;CCCC(=N)NC;HACDLABSFXSVGI-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98020;MM98020;CNC(=N)CCN;LSXVWCKSOVWVMH-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98021;MM98021;N=C(CCO)NN;AAIDDOCTANRRCP-UHFFFAOYSA-N;103.13;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98022;MM98022;N=C(CCN)NO;NEIKBNYERRGVTR-UHFFFAOYSA-N;103.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98023;MM98023;N=C(CCO)NO;GBWDQWAJGWNKHQ-UHFFFAOYSA-N;104.11;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98024;MM98024;CNC(=O)CCN;BFJOJIJWHRDGQO-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98025;MM98025;CNC(=O)CCF;FBULDAHROOVSES-UHFFFAOYSA-N;105.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98026;MM98026;C=CCC1NC1C=NO;MFHPMZIBNVUPHR-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98027;MM98027;Cn1cnccc1=NO;QVUXWGHKIUYDJA-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98028;MM98028;CC1(CN(O)C(N)=O)CN1;YAPYHBZWXSGPDM-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98029;MM98029;CCCC(=O)NO;CCBCHURBDSNSTJ-UHFFFAOYSA-N;103.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98030;MM98030;NCCC(=O)NO;YDHOAQXHVQTASS-UHFFFAOYSA-N;104.11;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98031;MM98031;O=C(CCO)NO;NZLSQNPQGIZYRX-UHFFFAOYSA-N;105.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98032;MM98032;O=C(CCF)NO;CLGBJBZATFDIOH-UHFFFAOYSA-N;107.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98033;MM98033;CNCC(=N)NC;SJWXOWQLRWQAGX-UHFFFAOYSA-N;101.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98034;MM98034;CNCC(=N)NN;SIGZJGRAYDMKOW-UHFFFAOYSA-N;102.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98035;MM98035;CNCC(=N)NO;IJNADOFRBDWKJV-UHFFFAOYSA-N;103.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98036;MM98036;CNCC(=O)NN;LYGILYHNZNBRQP-UHFFFAOYSA-N;103.13;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98037;MM98037;CC(CNN=CNO)=NO;QJMNOCVFGKBIHN-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98038;MM98038;C=C(CCC)OC;HOBMRFOADKWGMD-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98039;MM98039;C=C(CCF)OC;YKWRYERVFHTTEZ-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98040;MM98040;CCCC(=O)OC;UUIQMZJEGPQKFD-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98041;MM98041;COC(=O)CCN;UZCXPYDBYUEZCV-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98042;MM98042;CCNC(=N)CC;OZXYVOMOBLYDJX-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98043;MM98043;CCNC(=N)CN;HWSJJQHYMMLTIT-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98044;MM98044;CCC(=N)NNC;OELBUQQPRMCACN-UHFFFAOYSA-N;101.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98045;MM98045;CNNC(=N)CN;URHSYLMESIIAGI-UHFFFAOYSA-N;102.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98046;MM98046;CNNC(=N)CO;FILHINHXAHATHI-UHFFFAOYSA-N;103.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98047;MM98047;CC(N)=CC(C=NO)=NO;LYQNSDOLBSDFPQ-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98048;MM98048;N=c1c(N)c(O)n(O)n1N;OLJGCFVUXXNZPW-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98049;MM98049;CNNC(=O)CF;KTXZGCSDAHGLTI-UHFFFAOYSA-N;106.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98050;MM98050;CONC(=N)CN;UYBSSPDQQAVITF-UHFFFAOYSA-N;103.13;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98051;MM98051;CONC(=N)CO;UDDHBUDQJLBBPO-UHFFFAOYSA-N;104.11;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98052;MM98052;CCC(=O)NOC;ZCZCMEYEONUQJM-UHFFFAOYSA-N;103.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98053;MM98053;CC=CC(C=O)C(=O)C#N;STNZAKSPBUNFNJ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98054;MM98054;CCNC(=N)NC;DEOIEELDLIWVGF-UHFFFAOYSA-N;101.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98055;MM98055;CCNC(=N)NN;VMENIQFAVOLAHN-UHFFFAOYSA-N;102.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98056;MM98056;CCNC(=N)NO;CXHPQDMOOLYJEW-UHFFFAOYSA-N;103.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98057;MM98057;CCNC(=O)NC;IABRWXCXQSTUSS-UHFFFAOYSA-N;102.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98058;MM98058;CNNC(=N)NC;VWLYWHBBSODAKY-UHFFFAOYSA-N;102.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98059;MM98059;CNNC(=N)NN;FDPZWTJKTIXZKV-UHFFFAOYSA-N;103.13;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98060;MM98060;CONC(=N)NN;OWXQDPNHVSBBOD-UHFFFAOYSA-N;104.11;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98061;MM98061;CONC(=O)NN;PZORTFHYPIHZQC-UHFFFAOYSA-N;105.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98062;MM98062;C=C(CC)OCC;ZLFHFJJIMSZNHV-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98063;MM98063;C=C(CO)OCC;WCARUVPOFGHMHS-UHFFFAOYSA-N;102.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98064;MM98064;C=C(CF)OCC;MBHFSKCDNCXMKY-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98065;MM98065;CCOC(=O)CC;FKRCODPIKNYEAC-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98066;MM98066;CCOC(=O)CF;VCYZVXRKYPKDQB-UHFFFAOYSA-N;106.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98067;MM98067;N=CN=CNC(C=O)C=O;AJJIXTIUYNBLDR-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98068;MM98068;C=CCC(=C)CN;QGKVFCLPPGCFQT-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98069;MM98069;C=CCC(=C)CF;FLPVCVGBKWGBAJ-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98070;MM98070;N#CCC(=O)CO;SSWZAPZCJFNIQP-UHFFFAOYSA-N;99.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98071;MM98071;Cc1ccnc(=NO)n1N;DLUUCXIORVFXFU-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98072;MM98072;C=CCC(=O)NC;LRSCEVQEEBMAHN-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98073;MM98073;CNC(=O)CC=O;GUZHNHLBMZROSU-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98074;MM98074;C=CCC(=O)NO;HXGPOWUFZSUKHY-UHFFFAOYSA-N;101.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98075;MM98075;O=CCC(=O)NO;DLUVPQHBLCSLFG-UHFFFAOYSA-N;103.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98076;MM98076;C=CCC(=C)OC;JIMXMCFFUHMZBZ-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98077;MM98077;C=C(CC=O)OC;RZRVCKNZLMDRRA-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98078;MM98078;C=CCC(=O)OC;GITITJADGZYSRL-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98079;MM98079;COC(=O)CC=O;AGADEVQOWQDDFX-UHFFFAOYSA-N;102.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98080;MM98080;C=C(CC)NC=N;MFKHNIMDRQXNRG-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98081;MM98081;C=C(CC)NC=O;QMFRYTHFRFKYNL-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98082;MM98082;C=C(CN)NC=N;DIGWNZFTIVJZKF-UHFFFAOYSA-N;99.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98083;MM98083;C=C(CN)NC=O;RGKSXBUQLUAATE-UHFFFAOYSA-N;100.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98084;MM98084;C=C(CO)NC=N;KTDDNEDATCGXKM-UHFFFAOYSA-N;100.12;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98085;MM98085;C=C(CO)NC=O;KFTYVHAFHHBFII-UHFFFAOYSA-N;101.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98086;MM98086;C=C(CF)NC=O;PTBXATPJMJDZGX-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98087;MM98087;N=CN1C=NC(=O)C1;PEZFTCPGOHMYEZ-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98088;MM98088;C=CNC(=N)CN;IMMVGXWWVGANCC-UHFFFAOYSA-N;99.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98089;MM98089;N=C(CF)NC=O;PSPYWYPTWXQTPS-UHFFFAOYSA-N;104.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98090;MM98090;CCC1NC1C=NO;KFDBIRMTDVOIJP-UHFFFAOYSA-N;114.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98091;MM98091;CCC(=O)NC=O;QZFAIICSUHLVFN-UHFFFAOYSA-N;101.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98092;MM98092;C=CNC(=O)CO;YQZKGAILXKHVKY-UHFFFAOYSA-N;101.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98093;MM98093;N=c1oc(N)c(O)n1N;VISHKACMVMCRAF-UHFFFAOYSA-N;130.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98094;MM98094;O=CNC(=O)CO;QZHLODXNVMGWAF-UHFFFAOYSA-N;103.08;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98095;MM98095;C=CNC(=O)CF;NXJQYPPHSZNOCE-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98096;MM98096;N=CNC(=O)CF;OMMBWTDXBYNZRE-UHFFFAOYSA-N;104.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98097;MM98097;O=CNC(=O)CF;JHIDCIDVBCMCRY-UHFFFAOYSA-N;105.07;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98098;MM98098;NN=C(CC=NO)NO;GHIHLSVWGXCMKM-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98099;MM98099;CNC(=N)NC=O;XRFKTHCDWMQSCY-UHFFFAOYSA-N;101.11;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98100;MM98100;C=CNC(=O)NC;MKIAHTYUZVGHKU-UHFFFAOYSA-N;100.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98101;MM98101;CC(CC#N)NCC=NO;ASZKOFOFQRNQGT-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98102;MM98102;C=CNC(=O)NO;YAQPSFTZCNNYAV-UHFFFAOYSA-N;102.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98103;MM98103;COC(=N)NC=O;GACZDZUBVJMBEV-UHFFFAOYSA-N;102.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98104;MM98104;COC(=O)NC=N;UEYMZWFDXAEPAX-UHFFFAOYSA-N;102.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98105;MM98105;C=COC(=C)CC;ZVGOHIQNIROCGF-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98106;MM98106;C=C(CC)OC=O;IVFNKYODTAYLIY-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98107;MM98107;C=C(CN)OC=O;DUJCUZMCOOKLTA-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98108;MM98108;C=COC(=C)CF;HUFXXPSLYRVYAI-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98109;MM98109;C=C(CF)OC=O;ULZBLUNFBGYBLH-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98110;MM98110;C=COC(=O)CC;UIWXSTHGICQLQT-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98111;MM98111;C=COC(=O)CF;XNOJDQOUSSPETL-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98112;MM98112;C=NOC(=O)CC;HMWOVUMDSDYRIY-UHFFFAOYSA-N;101.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98113;MM98113;C#CCC(=C)OC;VOABVOXKWVVETL-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98114;MM98114;C=CC(=C)CCC;CWAOVKFGVZXUNW-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98115;MM98115;C=C(C)OCC(=NO)NN;BJMRDAWKDBOWCJ-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98116;MM98116;C=CC(=C)CCF;KMYJJAZUSSDNFO-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98117;MM98117;C=C(C#N)CCF;FUBGBWQKJNHWTL-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98118;MM98118;C=CC(=O)CCC;JTHNLKXLWOXOQK-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98119;MM98119;CCCC(=O)C=O;GDTHVMAIBQVUMV-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98120;MM98120;CCN(N)C(=NO)C(C)O;YLRAICNIKXPTAP-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98121;MM98121;C=CC(=C)COC;CHVMYQYERXJJMF-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98122;MM98122;C=C(C#N)COC;UPKAHTLMCCZKLM-UHFFFAOYSA-N;97.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98123;MM98123;C=CC(=N)NCC;IVVJNTDZJJHAAO-UHFFFAOYSA-N;98.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98124;MM98124;CCN=C(N)C=O;MMCBHSMBJGLENS-UHFFFAOYSA-N;100.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98125;MM98125;N=C(NO)OC(=O)CC=O;LPUOXDNTMWPIGS-UHFFFAOYSA-N;146.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98126;MM98126;CCNC(=O)C=O;CVVNEWUGLCYSJM-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98127;MM98127;C=CC(=N)NNC;FVGRUPICYALPJX-UHFFFAOYSA-N;99.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98128;MM98128;NN=c1c(O)cn(O)n1N;KRCUIMMIOWXMDM-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98129;MM98129;CNNC(=O)C=O;AHQYDZBHDQERBE-UHFFFAOYSA-N;102.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98130;MM98130;CN(C)CC(=O)C(F)C#N;BMQQZPIGQRXMSV-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98131;MM98131;C=CC(=O)NOC;QMQNMBYPQFQQPK-UHFFFAOYSA-N;101.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98132;MM98132;Cn1cc(O)n(O)c1=O;TYGRSYYSZVDGOF-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98133;MM98133;C=CC(=C)OCC;NKKSFXOEWMZVTO-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98134;MM98134;C=C(C=O)OCC;AXRMFIRHWOFRLE-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98135;MM98135;C=C(C#N)OCC;RVBFWXYFXKDVKG-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98136;MM98136;C=CC(=O)OCC;JIGUQPWFLRLWPJ-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98137;MM98137;C=CC(=C)NC=O;FWYNSOMUIYOTGE-UHFFFAOYSA-N;97.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98138;MM98138;C=C(C=O)NC=N;QIGNSAALJRASAM-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98139;MM98139;C=C(C=O)NC=O;UWOUSDDNRCKMBW-UHFFFAOYSA-N;99.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98140;MM98140;COC(=NN)NCC=NO;OHZIFFGENJNXRJ-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98141;MM98141;C=CNC(=N)C=O;LIBKCCASXGCEAJ-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98142;MM98142;C=CNC(=N)C#N;MBLODSJMINJNII-UHFFFAOYSA-N;95.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98143;MM98143;CCc1[nH]c(=O)n(O)c1O;MLTNSESSZFGGRU-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98144;MM98144;C#Cc1cn(N)c(=NO)[nH]1;JORRBAZOYRKLEK-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98145;MM98145;C=COC(=C)C=C;UFCFICKXYHKNGP-UHFFFAOYSA-N;96.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98146;MM98146;C=CC(=C)OC=O;SMAPAGUHTJHCHF-UHFFFAOYSA-N;98.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98147;MM98147;C=C(C#N)OC=O;HBORWLDMVXBJQA-UHFFFAOYSA-N;97.07;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98148;MM98148;C=CC(=O)ON=C;ATBWCMQSWILTDT-UHFFFAOYSA-N;99.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98149;MM98149;C#CC(=C)CCN;JTXPDHUPVBJQCU-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98150;MM98150;C#CC(=C)CCF;YEDAXIFXWQTGRT-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98151;MM98151;C#CC(=N)NNC;GRHPWFCQIORGKF-UHFFFAOYSA-N;97.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98152;MM98152;NC1C(=O)NC(=O)C1O;ZMYFFYQHVAUXCM-UHFFFAOYSA-N;130.1;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98153;MM98153;C#CC(=C)OCC;OTKHWDOROQIXMX-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98154;MM98154;C#CC(=O)OCC;FMVJYQGSRWVMQV-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98155;MM98155;CCC(C)C=CF;POFQUWOONUYWSF-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98156;MM98156;Cc1cc(=NO)n(C)cn1;CXICSVRDZQFUAH-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98157;MM98157;CC(C=CF)CO;GLRVJVRPLHXBTM-UHFFFAOYSA-N;104.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98158;MM98158;CC=CC(C)CF;QUNFTGHSODMFEU-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98159;MM98159;CC=CC(N)CC;BQDADOHFJBDCDD-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98160;MM98160;CCC(N)C=CF;WDWQZIYCMGURBB-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98161;MM98161;Nc1on(N)c(=NO)c1N;IFOFFFDKVKTNJT-UHFFFAOYSA-N;145.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98162;MM98162;CCC(O)C=CF;SQXUZPNVSUPBNW-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98163;MM98163;OCC(O)C=CF;WETGZCXJDRYJGB-UHFFFAOYSA-N;106.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98164;MM98164;CC=CC(O)CF;CZUIRGZMKKIIDW-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98165;MM98165;CC=CC(F)CC;YKYVZVXHLJZSLY-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98166;MM98166;CCC(F)C=CF;FEDZMCVNDHLZBW-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98167;MM98167;NCC(F)C=CF;OJRGTVJUYYYRCJ-UHFFFAOYSA-N;107.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98168;MM98168;CC=CC(F)CO;QAFHAKDFQSKUAA-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98169;MM98169;CC=CC(F)CF;GDZYFERAAFPWHO-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98170;MM98170;FC=CC(F)CF;UWKHAJWWUKYEIG-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98171;MM98171;CCC(C)C=NN;QGOPIWCRFFABEZ-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98172;MM98172;CCC(C)C=NO;SEWWFHKIKWFJNV-UHFFFAOYSA-N;101.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98173;MM98173;CC(C=NO)CN;LYJBGKRVSBWBHH-UHFFFAOYSA-N;102.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98174;MM98174;CCC(N)C=NO;YZCZZJMIWZIHAL-UHFFFAOYSA-N;102.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98175;MM98175;NCC(N)C=NO;DSTOIWPQZWMKFN-UHFFFAOYSA-N;103.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98176;MM98176;Nn1cc(CF)[nH]c1=NO;XYLWDYGVKXRJKH-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98177;MM98177;Cc1cncn(C)c1=NO;GGCHUSSEDQAVAF-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98178;MM98178;CCC(F)C=NN;GHOMBERNWLTRRZ-UHFFFAOYSA-N;104.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98179;MM98179;CC=CC(C)OC;BHZPHJWPPWDASK-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98180;MM98180;COC(C)C=CF;GATJFUHUPNUQGD-UHFFFAOYSA-N;104.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98181;MM98181;COC(C)C=NN;BUPSPFDTFBJPKK-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98182;MM98182;CC(C=NO)N(C)CCF;IWCRLYUKLWYEPW-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98183;MM98183;CN(C=N)N=COC=NO;FTXUUDGDEGVFTI-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98184;MM98184;CCN(O)C=NO;NIVWCYCIWGAQRA-UHFFFAOYSA-N;104.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98185;MM98185;CNNC(=NN)OC=NO;SSMKNAPTCFKANR-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98186;MM98186;CON(C)C=NO;HMTSBDFZIXXNSG-UHFFFAOYSA-N;104.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98187;MM98187;C=CC(C)C=CC;SFTGRPFSYZGXQW-UHFFFAOYSA-N;96.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98188;MM98188;C=CC(C)C=CF;CALXRGMZGGXGDX-UHFFFAOYSA-N;100.14;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98189;MM98189;CC(C#N)C=CF;UOEVECZZGXXMMT-UHFFFAOYSA-N;99.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98190;MM98190;N#CC(O)C=CF;AZCWTNUAISDAOY-UHFFFAOYSA-N;101.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98191;MM98191;C=CC(F)C=CC;UISKLXSNVIKQKY-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98192;MM98192;C=CC(F)C=CF;NVLDPRSKNCCPNG-UHFFFAOYSA-N;104.1;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98193;MM98193;CC=CC(F)C=O;QREZKOBMWOJYLA-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98194;MM98194;CC=CC(F)C#N;UZEHGXBLOWEZMY-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98195;MM98195;C=CC(C)C=NN;NRJQULFTQWLUSP-UHFFFAOYSA-N;98.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98196;MM98196;C=CC(C)C=NO;CSHNGORHBKXDDC-UHFFFAOYSA-N;99.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98197;MM98197;CC=CN(C)C=N;CYBVOQANQTWBIA-UHFFFAOYSA-N;98.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98198;MM98198;CC=CN(C)C=O;UAYBRSBTMIOKCO-UHFFFAOYSA-N;99.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98199;MM98199;N=CN(N)C=CF;UNGHRYOQTHMGHU-UHFFFAOYSA-N;103.1;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98200;MM98200;NN(C=O)C=CF;FUDQJYURHXMBJA-UHFFFAOYSA-N;104.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98201;MM98201;CN=CN(C)C=N;SCATVGBBAWNHPY-UHFFFAOYSA-N;99.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98202;MM98202;CN=CN(C)C=O;UVYGRJOGMGDVJB-UHFFFAOYSA-N;100.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98203;MM98203;Nn1c(CF)c[nH]c1=NO;GILVCCHVGQYWAZ-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98204;MM98204;CN(C=O)C=NO;VZMIVNOXWXNXET-UHFFFAOYSA-N;102.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98205;MM98205;C#Cc1c[nH]c(=NO)n1N;BKWJVVSCWNVESD-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98206;MM98206;CN=CN(N)C=O;QLSRZLLLJRDEBT-UHFFFAOYSA-N;101.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98207;MM98207;CNN1C=NC(=O)C1;VXNQRIBLSDYCLW-UHFFFAOYSA-N;113.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98208;MM98208;NN(C=O)C=NO;JZTBAQFNSAADSZ-UHFFFAOYSA-N;103.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98209;MM98209;CNc1oc(=N)n(N)c1O;WKWFTHULNSMOGW-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98210;MM98210;C=CC1(CONC=O)CN1;AKVQADJZYGJMNS-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98211;MM98211;C#CC(C)C=CF;XOHWXUNJGOKASU-UHFFFAOYSA-N;98.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98212;MM98212;C#CC(N)C=CC;FZCUKJYESBZULP-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98213;MM98213;C#CC(F)C=CC;FPDAHFMSJPLHIY-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98214;MM98214;C#CC(F)C=CF;WJLIEZHACXPPGI-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98215;MM98215;C#CC(C)C=NN;DBGPHQMBYAQTQA-UHFFFAOYSA-N;96.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98216;MM98216;CCCC1NC1C=NO;VJUAWTCCUXICGQ-UHFFFAOYSA-N;128.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98217;MM98217;C=C(C=CC)CC;ZSNRMRKAYAJYRZ-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98218;MM98218;C=C(C=CF)CC;RMCQSONJUAKCQS-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98219;MM98219;C=C(C=CC)CN;NQVFAGGEOWKHDM-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98220;MM98220;C=C(C=CC)CF;ADQPRCWDWBBTJA-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98221;MM98221;C=C(C=CF)CF;WNCRPIWFHJZJBJ-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98222;MM98222;CC=CC(=O)CC;FEWIGMWODIRUJM-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98223;MM98223;CCC(=O)C=CN;KZUBNLGUGZTIMZ-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98224;MM98224;CCC(=O)C=CF;VCCLEDQLVQHQJU-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98225;MM98225;NC=CC(=O)CO;BEEWJVMFDHSMQZ-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98226;MM98226;C=C(C=NN)CC;IQJPCZDBXBPIJB-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98227;MM98227;CC(C)C1NC1C=NO;IGLAZGNNAMVIEX-UHFFFAOYSA-N;128.18;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98228;MM98228;C=C(C=NO)CN;HHESZASTQIUIEK-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98229;MM98229;C=C(C=NN)CF;RJLAHABFLRKVHT-UHFFFAOYSA-N;102.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98230;MM98230;CCC(N=CNN)=NO;DMQVRPCLCMKWAY-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98231;MM98231;Cn1ccc(=NO)nc1;RHXJAHVEUJSZOB-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98232;MM98232;NC=CC(=O)NO;CACNKFOAFJOHAB-UHFFFAOYSA-N;102.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98233;MM98233;O=C(C=CF)NO;NNRIBQGUMIMXEK-UHFFFAOYSA-N;105.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98234;MM98234;CON=CNCC=NO;NHWMTVUKNFFQIR-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98235;MM98235;N=c1[nH]oc2cncn12;LFCDKXXPVVCAEO-UHFFFAOYSA-N;124.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98236;MM98236;CNC(=O)C=NO;IYPXQNMVMDUFAD-UHFFFAOYSA-N;102.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98237;MM98237;O=CNOCC1(CO)CN1;KHWJOBBZHFNRPH-UHFFFAOYSA-N;146.15;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98238;MM98238;NNC(=O)C=NO;JRCRWGLVDJPYQE-UHFFFAOYSA-N;103.08;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98239;MM98239;NN=CC(=O)NO;NFSKVRZYSVAUPI-UHFFFAOYSA-N;103.08;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98240;MM98240;C=C(C=CF)OC;YDGYQHKBSMZXAJ-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98241;MM98241;CC=CC(=O)OC;MCVVUJPXSBQTRZ-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98242;MM98242;COC(=O)C=CF;DIDZABFEHPIBBM-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98243;MM98243;C=CC(=C)C=CF;TWCMJBMZVWQJQJ-UHFFFAOYSA-N;98.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98244;MM98244;C=C(C=O)C=CC;PUDRAWBTSBFCSJ-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98245;MM98245;C=C(C#N)C=CF;LOPIDWYRWTULPZ-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98246;MM98246;C=CC(=O)C=CN;FERVOGNMALUTIF-UHFFFAOYSA-N;97.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98247;MM98247;N#CC(=O)C=CN;AQCNHOYWVVIMIY-UHFFFAOYSA-N;96.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98248;MM98248;N#CC(=O)C=CF;GEHBFKHJWRAMAG-UHFFFAOYSA-N;99.06;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98249;MM98249;C=CC(=C)C=NN;BABMFDDESMJTMX-UHFFFAOYSA-N;96.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98250;MM98250;CCC(N=CN1CC1)=NO;HHZNZBFESTVHTG-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98251;MM98251;C#CC(=C)C=CF;IONDMQFNTRSWEN-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98252;MM98252;C#CC(=C)C=NN;JWHBVHSSIVMAOB-UHFFFAOYSA-N;94.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98253;MM98253;C#CC(=C)C=NO;IWRZUMHFDXVNDO-UHFFFAOYSA-N;95.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98254;MM98254;CC#CC(F)CC;UNKYRKBRZOOGGO-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98255;MM98255;CC#CC(F)CF;BXWPLRRSAXEBSR-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98256;MM98256;CC#CC(=O)C=O;KKBYFRLZEIKARI-UHFFFAOYSA-N;96.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98257;MM98257;CC=C(C)CCN;FVDSDSNMOWANSX-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98258;MM98258;CNC=NC(=NO)OC;DVKFENBPGODCGO-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98259;MM98259;CC=C(C)CCF;GTKUUNMFOYDGNZ-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98260;MM98260;CCCC(C)=CF;KWPZTDVXPCTWHE-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98261;MM98261;CC(=CF)CCF;KCUHZQCMZPACQR-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98262;MM98262;CC=C(F)CCC;YIMIGEKNYXTXER-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98263;MM98263;CC=C(F)CCO;QIJXFKXJTWHOPA-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98264;MM98264;CC=C(F)CCF;DBWMGCNVOPZKED-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98265;MM98265;CCCC(F)=CF;FLAUJJITBCWIKE-UHFFFAOYSA-N;106.12;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98266;MM98266;OCCC(F)=CF;DHNNBMZPYSMPHI-UHFFFAOYSA-N;108.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98267;MM98267;FC=C(F)CCF;GGJCKHRRYYEKND-UHFFFAOYSA-N;110.08;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98268;MM98268;CC=C(C)COC;WHATVSMTILGUIH-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98269;MM98269;COCC(C)=CF;ULHNKWQVWYBMOW-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98270;MM98270;CC=C(F)COC;SLLVPWXGOTWBAP-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98271;MM98271;COCC(F)=CF;UOQLSAYCNYUGLL-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98272;MM98272;CCCC(C)=NN;GAUUMMSVWOOMGM-UHFFFAOYSA-N;100.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98273;MM98273;CCC(=NO)C1NC1(C)C;FAFNXIGLSZQGFF-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98274;MM98274;CC(CCN)=NO;WROXRLZRNGTGNM-UHFFFAOYSA-N;102.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98275;MM98275;CC(CCF)=NO;SAQYZEIDHLHTEI-UHFFFAOYSA-N;105.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98276;MM98276;CNCC(C)=NO;QWCHXLVBXXJPTE-UHFFFAOYSA-N;102.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98277;MM98277;COCC(C)=NN;ZYOXRQMNDCLTGK-UHFFFAOYSA-N;102.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98278;MM98278;CCN=C(C)NC;UNHXMJIXFGPMIM-UHFFFAOYSA-N;100.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98279;MM98279;CCN=C(C)NN;SXZJYRBRYOUGFA-UHFFFAOYSA-N;101.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98280;MM98280;CCN=C(C)NO;IIQOAUOKVGDNIG-UHFFFAOYSA-N;102.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98281;MM98281;CC=C(C)OCC;LYVRVCFZVSEJQS-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98282;MM98282;CCOC(C)=CF;QQGSYZUGGIHQGT-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98283;MM98283;CC1(CC(C#N)C#N)CN1;SQTIFYJWYGECKW-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98284;MM98284;CCOC(C)=NO;QWKAVVNRCKPKNM-UHFFFAOYSA-N;103.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98285;MM98285;C=CCC(C)=CC;JBVMSEMQJGGOFR-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98286;MM98286;CC(=CF)CC#N;YYUNLFOLGAXXNZ-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98287;MM98287;C=CCC(F)=CC;VUFKCALGDCEFTE-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98288;MM98288;C=CCC(F)=CF;ILDLPFBYFABIIK-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98289;MM98289;N#CCC(F)=CF;MTWMTBMRPGZORC-UHFFFAOYSA-N;103.07;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98290;MM98290;C=CCC(C)=NO;KGJVJURDAIOMSM-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98291;MM98291;CC=C(C)NC=O;XSNGZJFMBIKBNZ-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98292;MM98292;CC(=CF)NC=N;XKHSWOOFGHJNJR-UHFFFAOYSA-N;102.11;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98293;MM98293;CC(=CF)NC=O;WRYOBCWPZNXLLZ-UHFFFAOYSA-N;103.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98294;MM98294;N#CCc1c[nH]c(=NO)[nH]1;WFTYHXPUUGLGQD-UHFFFAOYSA-N;138.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98295;MM98295;CC(=NN)NC=N;YRDANYHWQVTLAF-UHFFFAOYSA-N;100.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98296;MM98296;CC(=NN)NC=O;UFCNEIJNNIJPSN-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98297;MM98297;CC(=NO)NC=O;XITQDFWABHIPDI-UHFFFAOYSA-N;102.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98298;MM98298;C=COC(C)=CC;OMWRHOGJILSYAN-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98299;MM98299;CC=C(C)OC=O;ABTNXUWRSBGWDX-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98300;MM98300;C=COC(C)=CF;QJPBDTMWNNZMCE-UHFFFAOYSA-N;102.11;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98301;MM98301;CC(=CF)OC=O;QVMIMXUQBVHPGZ-UHFFFAOYSA-N;104.08;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98302;MM98302;C#CCC(C)=CF;UCDNOUTUGCFQGB-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98303;MM98303;C#CCC(F)=CF;AVAQVSPIBXSTRZ-UHFFFAOYSA-N;102.08;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98304;MM98304;CC=CC(C)=CC;KOXWOWPVSGRFCZ-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98305;MM98305;CC=C(C)C=CF;KDAHVCAPDVWIDU-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98306;MM98306;CC=CC(C)=CF;SZZGBOIODKYVBM-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98307;MM98307;CC(C=CF)=CF;BYDSHRCRXRNEPU-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98308;MM98308;CC=CC(F)=CC;CDQHUOPGMYVISD-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98309;MM98309;CC=C(F)C=CF;DDDFMISXKYPTOG-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98310;MM98310;CC=CC(F)=CF;WXFOJZWHOOUIAP-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98311;MM98311;FC=CC(F)=CF;NMMSFGYNBBWSDV-UHFFFAOYSA-N;108.06;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98312;MM98312;CC=C(C)C=NN;CCVHGMPMAQZTOB-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98313;MM98313;CC(CC(=O)C(=N)N)=NO;LAEMUIWOONSCAR-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98314;MM98314;CC(C=NN)=CF;DHGYQKAGHZSCKH-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98315;MM98315;CC(C=NO)=CF;AJCBCUMALXKCCN-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98316;MM98316;CC=C(F)C=NN;VJZLMHCESHJGQC-UHFFFAOYSA-N;102.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98317;MM98317;CC=C(F)C=NO;CVDCTRXOGXGXMC-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98318;MM98318;NN=CC(F)=CF;QYFSCJCKVUJEEI-UHFFFAOYSA-N;106.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98319;MM98319;N#CC(=NO)NC=C(F)F;OOFHATUSOMAPFY-UHFFFAOYSA-N;147.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98320;MM98320;CC(C=CF)=NO;HUDMABSUKLIKMH-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98321;MM98321;CC#CC(F)=CF;HFAGRLNLIQTZPG-UHFFFAOYSA-N;102.08;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98322;MM98322;CCC(C)=CCN;FTEGDCQABRIUNQ-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98323;MM98323;CCC(C)=CCO;QFXSWGXWZXSGLC-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98324;MM98324;CCC(C)=CCF;FKGLKQVXTNLFGZ-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98325;MM98325;CCC=C(C)CN;IGURFOFUWOCRDN-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98326;MM98326;CC(=CCN)CN;NCSCVJAOUKFHFM-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98327;MM98327;CC(=CCO)CF;AMGCWLDRGIJPGL-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98328;MM98328;CCC=C(F)CC;IMSKCQSWQHRTGF-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98329;MM98329;CCC(F)=CCN;IDUPUNOXSCTZCG-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98330;MM98330;CCC(F)=CCO;WOMKMLCECDJODI-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98331;MM98331;CCC(F)=CCF;FJWYIVJFSKOLSW-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98332;MM98332;NCC=C(F)CN;PBVSETWGMSYCTA-UHFFFAOYSA-N;104.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98333;MM98333;CCC=C(F)CO;GBTPUVIDWYSGHZ-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98334;MM98334;CCC=C(F)CF;YJJAKQXCHAUNCW-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98335;MM98335;FCC=C(F)CF;LASJUSDQSZLNMZ-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98336;MM98336;COC=C(C)CF;IHKTUTRHJQYJIB-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98337;MM98337;CCC(F)=COC;RWKCBJVFQXTYKQ-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98338;MM98338;COC=C(F)CF;NXBPHNJPEIVKNF-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98339;MM98339;COC(C)=CCF;HOXORYSMECQIOY-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98340;MM98340;CCC(C)=NNC;VBCGYWVDRKKFET-UHFFFAOYSA-N;100.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98341;MM98341;O=CC(C=O)NCCO;WDUFPDYPJUMSTM-UHFFFAOYSA-N;131.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98342;MM98342;CCC(C)=CC=O;XGADWNHARGAKQG-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98343;MM98343;CC(=CC=O)CO;BSHDRMLUCYMQOP-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98344;MM98344;NC(=CC=O)CO;PIQNVUWRNGMCCU-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98345;MM98345;NC(=CC=O)CF;QDVMXZAOWMBRMM-UHFFFAOYSA-N;103.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98346;MM98346;N#CC=C(N)CF;MFWRTUXUBFLKNI-UHFFFAOYSA-N;100.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98347;MM98347;C=CC=C(F)CC;OODCSLCQVOPVTQ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98348;MM98348;CCC(F)=CC=O;NYJRXLRJVOLKAM-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98349;MM98349;CCC(F)=CC#N;CMDNIEWCGSMORX-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98350;MM98350;C=CC=C(F)CO;CQWQIRZZQXQIHF-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98351;MM98351;C=CC=C(F)CF;MZTGDHSIYMTNPR-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98352;MM98352;O=CC=C(F)CF;JYELDPNJNBBQLP-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98353;MM98353;N#CC=C(F)CF;OYUAPYAWCRFGMO-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98354;MM98354;COC(C)=CC=O;RGYKNOXEEVJMSG-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98355;MM98355;COC(N)=CC=O;DVCUVVGHMIFOIM-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98356;MM98356;C=NN=C(C)CC;QDYLTXCGHITYRU-UHFFFAOYSA-N;98.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98357;MM98357;C=NN=C(C)CF;HOYVTLYPCGRURS-UHFFFAOYSA-N;102.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98358;MM98358;C#CC=C(F)CC;NVDNXDZZCARETD-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98359;MM98359;C#CC=C(F)CF;IGBQMHFOOIOCQM-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98360;MM98360;C=CC(C)=CCF;CZLPODAVNNCAHZ-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98361;MM98361;CC(C#N)=CCF;CWZGPUNJIPXQMW-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98362;MM98362;C=CC(F)=CCC;XLBUZTDBUWPZJV-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98363;MM98363;C=CC(F)=CCF;WZQDPEZVAQLZPL-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98364;MM98364;CCC=C(F)C=O;SFODNYYPENIDIS-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98365;MM98365;CCC=C(F)C#N;SDXMERYUDNWVSV-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98366;MM98366;O=CC(F)=CCF;XJDXSJUSBGXUFI-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98367;MM98367;N#CC(F)=CCF;PFQSDGCDOSPFHG-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98368;MM98368;CNC=C(F)C=O;BNUDFHVRAOMBCE-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98369;MM98369;Cc1[nH]c(=NN)n(O)c1O;SWUFVEBJXPQXFB-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98370;MM98370;C=CNC=NC(=NO)OC;CXJAKOOJNOCKLI-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98371;MM98371;C=CC(C)=NOC;KMRYYHIIOBRVKX-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98372;MM98372;CON=C(C)C#N;ZVOJVWYQMVCLTK-UHFFFAOYSA-N;98.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98373;MM98373;C=CC(C)=CC=O;JGLFWTHGEKDYMX-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98374;MM98374;C=CC(F)=CC=O;WXFGIDZNEGVFOH-UHFFFAOYSA-N;100.09;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98375;MM98375;C=CC=C(F)C#N;SYYQAZYVUPHCOD-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98376;MM98376;N#CC(F)=CC=O;VPURGUBIZMYWHU-UHFFFAOYSA-N;99.06;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98377;MM98377;N#CC=C(F)C#N;SDXZFPJYTGNCDE-UHFFFAOYSA-N;96.06;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98378;MM98378;C=NN=C(C)C=O;YFFJZLOILPURAL-UHFFFAOYSA-N;98.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98379;MM98379;C#CC(C)=CCN;NTXKZFBQPLMAKU-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98380;MM98380;C#CC(C)=CCF;XGRJQHKOZLILLZ-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98381;MM98381;C#CC(F)=CCC;NYSPBVVCYLAPFC-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98382;MM98382;C#CC(F)=CCF;INHLDFFSRKVENY-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98383;MM98383;C#CC(C)=CC=O;IFWPFCCGBZEOPS-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98384;MM98384;C#CC(F)=CC=C;VAOSUKAIOQDXEK-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98385;MM98385;C#CC(F)=CC=O;QIKWMVVWYNMDNB-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98386;MM98386;CCC(C)C(C)N;ZFAGOADKDXXTSV-UHFFFAOYSA-N;101.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98387;MM98387;CC(O)C(C)CF;DUUZBPUQZVLDON-UHFFFAOYSA-N;106.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98388;MM98388;CCC(C)C(C)F;ZGGCMCVFRKOGBS-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98389;MM98389;CCC(C)C(F)F;HBFWJAHYCMBIJG-UHFFFAOYSA-N;108.13;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98390;MM98390;CC(CF)C(F)F;RSRZPTRAPLZAQT-UHFFFAOYSA-N;112.09;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98391;MM98391;CC(N)C(N)CN;KHWKJOWCVMBKOK-UHFFFAOYSA-N;103.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98392;MM98392;CC(N)C(N)CO;MEJXMJZVIHRKKL-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98393;MM98393;CC(N)C(N)CF;VYTKISVXUYINIF-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98394;MM98394;CC(O)C(N)CO;MUVQIIBPDFTEKM-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98395;MM98395;CC(O)C(N)CF;NSJBLPZBHUWKER-UHFFFAOYSA-N;107.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98396;MM98396;CCC(N)C(C)F;XCOIMLRWRLJFAO-UHFFFAOYSA-N;105.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98397;MM98397;CC(F)C(N)CN;XSUPCWAKKPERRA-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98398;MM98398;NCC(N)C(F)F;GYYHXBZLSBGQGW-UHFFFAOYSA-N;110.11;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98399;MM98399;CC(N)C(O)CN;MRQBGVFRQAQLJV-UHFFFAOYSA-N;104.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98400;MM98400;CC(N)C(O)CO;LDCXMWOWMBOMSM-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98401;MM98401;CC(N)C(O)CF;FBCSPIKJYQWVBZ-UHFFFAOYSA-N;107.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98402;MM98402;CC(O)C(O)CN;BSLCSFCXSUCFQN-UHFFFAOYSA-N;105.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98403;MM98403;CC(O)C(O)CO;YAXKTBLXMTYWDQ-UHFFFAOYSA-N;106.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98404;MM98404;CC(O)C(O)CF;WOKWVMMXRLMYIS-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98405;MM98405;CCC(O)C(C)F;GTGJOHJHJCFKLQ-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98406;MM98406;NCC(O)C(F)F;RHVLBJPNWATWIM-UHFFFAOYSA-N;111.09;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98407;MM98407;OCC(O)C(F)F;JPAVBODQAQRIMW-UHFFFAOYSA-N;112.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98408;MM98408;CCC(F)C(C)C;FKWMYLMQLAIXKB-UHFFFAOYSA-N;104.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98409;MM98409;CC(C)C(F)CF;ODWOKPQIKZFCER-UHFFFAOYSA-N;108.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98410;MM98410;CC(N)C(F)CN;PHGPYKXHPXZAMF-UHFFFAOYSA-N;106.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98411;MM98411;CC(N)C(F)CO;JDUGODYQQMICLF-UHFFFAOYSA-N;107.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98412;MM98412;CCC(F)C(C)O;QWKGTMOLADCCAC-UHFFFAOYSA-N;106.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98413;MM98413;CC(O)C(F)CN;UFCNVAQDXUNMQW-UHFFFAOYSA-N;107.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98414;MM98414;CC(O)C(F)CO;FPXDSPQEZNBCAW-UHFFFAOYSA-N;108.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98415;MM98415;CCC(F)C(C)F;DTFFVYXGHIUBRO-UHFFFAOYSA-N;108.13;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98416;MM98416;CC(F)C(F)CF;ITPQOGNTERBDEF-UHFFFAOYSA-N;112.09;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98417;MM98417;CCC(F)C(F)F;LKCCQAPPZYBMLN-UHFFFAOYSA-N;112.09;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98418;MM98418;COC(C)C(C)F;NSSAKFYMFCOPRM-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98419;MM98419;COC(C)C(F)F;OFHDNGLDRWIWFJ-UHFFFAOYSA-N;110.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98420;MM98420;CCC(C)N(C)C;USSPHSVODLAWSA-UHFFFAOYSA-N;101.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98421;MM98421;C=CC(C)C(C)C;WFHXQNMTMDKVJG-UHFFFAOYSA-N;98.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98422;MM98422;CC(C)C(C)C=O;AKUUEDVRXOZTBF-UHFFFAOYSA-N;100.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98423;MM98423;CC(C)C(C)C#N;ZMRCOHMOBLASFC-UHFFFAOYSA-N;97.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98424;MM98424;N=c1[nH]c(=NO)nnn1N;VBHCEKYZFQBJAP-UHFFFAOYSA-N;143.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98425;MM98425;C=CC(C)C(C)F;NURXTBWYMSNVAQ-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98426;MM98426;CC(F)C(C)C#N;UJAYEWYHIIBHTI-UHFFFAOYSA-N;101.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98427;MM98427;C=CC(C)C(F)F;CQVFWZUBPHVNIP-UHFFFAOYSA-N;106.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98428;MM98428;CC(C=O)C(F)F;HXLJEQJKAGKWLT-UHFFFAOYSA-N;108.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98429;MM98429;C=CC(N)C(C)N;LBOVESRAUDMKSH-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98430;MM98430;C=CC(N)C(C)O;WPFWJXLNRUMBPV-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98431;MM98431;CC(O)C(O)C=O;DFFAMJFPVBTTBX-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98432;MM98432;CC(F)C(O)C#N;QIYHKJQVMFBTRA-UHFFFAOYSA-N;103.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98433;MM98433;C=CC(F)C(C)C;XHNBFANMMGGLDD-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98434;MM98434;CC(C)C(F)C=O;YPPAVZZTVSKNNE-UHFFFAOYSA-N;104.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98435;MM98435;C=CC(F)C(C)F;PDUAVXHHQYTUIZ-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98436;MM98436;CC(F)C(F)C=O;NRZJMCLJHMQOJF-UHFFFAOYSA-N;108.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98437;MM98437;CC(F)C(F)C#N;RBUNNXNTYHLWKK-UHFFFAOYSA-N;105.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98438;MM98438;C=CC(F)C(F)F;KVQSHGCZMJQJEJ-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98439;MM98439;N#CC(F)C(F)F;JDEYMKFNUQUHHU-UHFFFAOYSA-N;109.05;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98440;MM98440;CN(C)N(C)C=N;NKUACVIPHHTWDF-UHFFFAOYSA-N;101.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98441;MM98441;CN(C)N(C)C=O;FOHJTGMJEJYBPA-UHFFFAOYSA-N;102.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98442;MM98442;C#CC(C)C(C)C;JDQKSTIAVKXRSK-UHFFFAOYSA-N;96.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98443;MM98443;C#CC(C)C(C)F;JPBHGJFSNFBMDH-UHFFFAOYSA-N;100.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98444;MM98444;C#CC(C)C(F)F;VAMRHDUIVMUMAW-UHFFFAOYSA-N;104.1;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98445;MM98445;C#CC(N)C(C)N;MBSHVKFTBXYSRJ-UHFFFAOYSA-N;98.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98446;MM98446;C#CC(N)C(C)O;YPBXNTGJZIXQJU-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98447;MM98447;C#CC(O)C(C)N;WYFHNFGGFJJYGJ-UHFFFAOYSA-N;99.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98448;MM98448;C#CC(O)C(C)O;BYXXHSZHRLIYFW-UHFFFAOYSA-N;100.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98449;MM98449;C#CC(F)C(C)C;ZBIMYABILFDHRP-UHFFFAOYSA-N;100.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98450;MM98450;C#CC(F)C(C)F;UGBLLOVUHYDVST-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98451;MM98451;C#CC(F)C(F)F;XQCVJDMEWSGWKT-UHFFFAOYSA-N;108.06;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98452;MM98452;C=C(C)C(C)CC;LIMAEKMEXJTSNI-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98453;MM98453;C=C(C)C(C)CN;BYBJENSLIADYII-UHFFFAOYSA-N;99.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98454;MM98454;COc1cn(N)c(=NO)[nH]1;AADOJZJJMOZSKN-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98455;MM98455;C=C(C)C(C)CF;GFJZGBPTQZIGGN-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98456;MM98456;CCC(C)C(C)=O;UIHCLUNTQKBZGK-UHFFFAOYSA-N;100.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98457;MM98457;CCC(C)C(=N)N;VEXJSFASSDRQRD-UHFFFAOYSA-N;100.17;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98458;MM98458;CC(CN)C(=N)N;POKFPORDSPGIFS-UHFFFAOYSA-N;101.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98459;MM98459;CC(CO)C(=N)N;KNKBAVRSYIQXEA-UHFFFAOYSA-N;102.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98460;MM98460;NN1C=NC(=O)C1;CBUZZORBRBTYCY-UHFFFAOYSA-N;99.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98461;MM98461;CC(CN)C(N)=O;MHDNHVZHLGEFTA-UHFFFAOYSA-N;102.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98462;MM98462;CC(CO)C(N)=O;XQGWRBMQUDXMRH-UHFFFAOYSA-N;103.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98463;MM98463;CC(CF)C(N)=O;BAEAVBCJOSISSZ-UHFFFAOYSA-N;105.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98464;MM98464;CCC(C)C(=O)O;WLAMNBDJUVNPJU-UHFFFAOYSA-N;102.13;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98465;MM98465;C=C(F)C(C)CC;VBUGQMBYOALDOR-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98466;MM98466;C=C(F)C(C)CO;SWUUVRVYIMRIQO-UHFFFAOYSA-N;104.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98467;MM98467;C=C(F)C(C)CF;PHMHNAOLSMYLOM-UHFFFAOYSA-N;106.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98468;MM98468;C=C(C)C(N)CC;WERMAGFLIZQGOD-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98469;MM98469;C=C(C)C(N)CO;YYNOUQKSZNAOTL-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98470;MM98470;N=C(N)C(N)CN;RBMFBWHGALIPNW-UHFFFAOYSA-N;102.14;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98471;MM98471;N=C(N)C(N)CO;XQWAGKXPGZIVAW-UHFFFAOYSA-N;103.13;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98472;MM98472;N=C(N)C(N)CF;PGYXBLFKHWNPFX-UHFFFAOYSA-N;105.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98473;MM98473;CCC(N)C(N)=O;HNNJFUDLLWOVKZ-UHFFFAOYSA-N;102.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98474;MM98474;C=C(F)C(N)CC;QZCSFVLFELKJCV-UHFFFAOYSA-N;103.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98475;MM98475;C=C(F)C(N)CN;OGWNEUKVMZZMMM-UHFFFAOYSA-N;104.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98476;MM98476;CC(=O)C(O)CO;SEYLPRWNVFCVRQ-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98477;MM98477;CCC(O)C(=N)N;YLMGUQOHXLAGMQ-UHFFFAOYSA-N;102.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98478;MM98478;N=C(N)C(O)CN;SKPOCYULVSVHPF-UHFFFAOYSA-N;103.13;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98479;MM98479;N=C(N)C(O)CF;HFYRDYTUFDTOMB-UHFFFAOYSA-N;106.1;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98480;MM98480;CCC(O)C(N)=O;UUXHICUVBOTXQS-UHFFFAOYSA-N;103.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98481;MM98481;NCC(O)C(N)=O;LEAQZMXPWIKGQQ-UHFFFAOYSA-N;104.11;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98482;MM98482;NC(=O)C(O)CO;XLGVHAQDCFITCH-UHFFFAOYSA-N;105.09;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98483;MM98483;NC(=O)C(O)CF;GRKHTFWFMARKTL-UHFFFAOYSA-N;107.08;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98484;MM98484;NN=c1nnn(O)cc1O;PDMFWFUJKCRQQZ-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98485;MM98485;Cc1cn(O)n(O)c1=O;RJZPJWQKEUYGOL-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98486;MM98486;C=C(F)C(O)CC;PPIHIYRVOPGCTH-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98487;MM98487;C=C(F)C(O)CO;UBGKPNMQDOZVMS-UHFFFAOYSA-N;106.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98488;MM98488;C=C(F)C(O)CF;WURYZYANQOIOCY-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98489;MM98489;C=C(C)C(F)CC;KFLBZZFZEXIVQT-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98490;MM98490;CCC(F)C(C)=O;HWZVZKQJVLEENG-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98491;MM98491;CCc1cn(O)n(O)c1=O;LEVPBLVNTPEOEV-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98492;MM98492;C=C(F)C(F)CC;XKDOTPZRWMOARU-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98493;MM98493;C=C(F)C(F)CO;UWHNGLXBKNOACC-UHFFFAOYSA-N;108.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98494;MM98494;C=C(F)C(F)CF;JXRXLBXMTSWYLH-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98495;MM98495;CNC(C)C(=N)N;ISNBSNNTNFVRGJ-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98496;MM98496;CNC(C)C(N)=O;QKNFFJHHPCWXTH-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98497;MM98497;C=C(C)C(C)OC;NMWKDQMLGSDGPK-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98498;MM98498;C=C(F)C(C)OC;CAEBEMBKJJFLAU-UHFFFAOYSA-N;104.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98499;MM98499;CCN(C)C(=N)N;FWGSQBLSFXFROK-UHFFFAOYSA-N;101.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98500;MM98500;CCN(C)C(N)=O;UZPCSQYZDLKMCC-UHFFFAOYSA-N;102.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98501;MM98501;CCN(O)C(C)=O;WSOZCKLPMDVDDK-UHFFFAOYSA-N;103.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98502;MM98502;CCN(O)C(N)=O;HGDLNBCHJKEIGZ-UHFFFAOYSA-N;104.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98503;MM98503;CNN(C)C(=N)N;RMHYXTIVMHALPC-UHFFFAOYSA-N;102.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98504;MM98504;C=C(C)C(C)C#N;BEXQWUBBTUHIPX-UHFFFAOYSA-N;95.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98505;MM98505;CC(C=O)C(N)=O;WJUPBRRVUPKUKB-UHFFFAOYSA-N;101.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98506;MM98506;C=CC(C)C(=O)O;GQWNPIKWYPQUPI-UHFFFAOYSA-N;100.12;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98507;MM98507;C=CC(C)C(=C)F;RFZAIEHUONMCAS-UHFFFAOYSA-N;100.14;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98508;MM98508;C=C(F)C(C)C#N;JDRGFSMFXJRSLN-UHFFFAOYSA-N;99.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98509;MM98509;C=CC(N)C(=C)C;VZZSTOSLPPMDBP-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98510;MM98510;C=CC(O)C(=N)N;MDTZCOZMHHBBPU-UHFFFAOYSA-N;100.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98511;MM98511;N=C(N)C(O)C=O;JHNOWCUQMSSHSV-UHFFFAOYSA-N;102.09;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98512;MM98512;C=CC(O)C(N)=O;RITCRHZBJRYUKH-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98513;MM98513;NC(=O)C(O)C=O;BCEXFUUMZCQFRL-UHFFFAOYSA-N;103.08;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98514;MM98514;C=CC(O)C(=C)F;MFKYBOZCKNGSKW-UHFFFAOYSA-N;102.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98515;MM98515;C=C(F)C(O)C=O;UFKHBAMUYUALHO-UHFFFAOYSA-N;104.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98516;MM98516;C=CC(F)C(=C)C;YLKDIHBPCKYXBM-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98517;MM98517;C=CC(F)C(C)=O;OMILLYAHASEYHQ-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98518;MM98518;C=CC(F)C(=C)F;NCODYAJRQOQFQL-UHFFFAOYSA-N;104.1;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98519;MM98519;C=C(F)C(F)C=O;SMAATHTVFRGKRW-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98520;MM98520;C=C(F)C(F)C#N;ZJBSNCYINKJRBK-UHFFFAOYSA-N;103.07;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98521;MM98521;C=C(C)N(C)C=O;XJNUPAXCNXGAPJ-UHFFFAOYSA-N;99.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98522;MM98522;CC(=N)N(C)C=O;XPOLERCGGXFRNX-UHFFFAOYSA-N;100.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98523;MM98523;CC(=O)N(C)C=N;XSOVCXQNQHGLPU-UHFFFAOYSA-N;100.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98524;MM98524;CC(=N)N(N)C=O;KJAUNNVRQDVBLT-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98525;MM98525;CCN(N)C(CO)=NO;NNXJOZBVFOZJKI-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98526;MM98526;CNN(C)C(CO)=NO;IJWAATKAZGBWFX-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98527;MM98527;C=c1cnc(=NO)[nH]c1=C;UHBAGXJESHILRX-UHFFFAOYSA-N;137.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98528;MM98528;C=CN(O)C(C)=N;UUYOPTLKWHPTRR-UHFFFAOYSA-N;100.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98529;MM98529;C#CC(C)C(=N)N;XWVZCZKSIVRZQA-UHFFFAOYSA-N;96.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98530;MM98530;C#CC(C)C(N)=O;GUXSYEAAHBMSCC-UHFFFAOYSA-N;97.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98531;MM98531;C#CC(C)C(=C)F;ZRAFMNZLTJMUNL-UHFFFAOYSA-N;98.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98532;MM98532;C#CC(N)C(=N)N;ZMJFBNPNSHLTAK-UHFFFAOYSA-N;97.12;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98533;MM98533;N#Cc1coc(O)n1;ZVLSCDXMVJDOGL-UHFFFAOYSA-N;110.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98534;MM98534;C#CC(O)C(=C)F;OQDUPTCMYMSTRQ-UHFFFAOYSA-N;100.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98535;MM98535;C#CC(F)C(=C)C;ZTPNDCTVDVJPQJ-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98536;MM98536;C#CC(F)C(=C)F;VRYKWOLFWNVXMF-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98537;MM98537;C=C(CC)C(C)C;ADHCYQWFCLQBFG-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98538;MM98538;C=C(CF)C(C)C;PYYMZMKCYXYOIG-UHFFFAOYSA-N;102.15;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98539;MM98539;C=C(CC)C(C)N;DVPIGELGCAUTEZ-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98540;MM98540;C=C(CN)C(C)N;ACDFRNAWQIPCHO-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98541;MM98541;Nc1cccc(=NO)n1O;BYPNKIPHBRDULR-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98542;MM98542;C=C(CN)C(C)O;BDDLWDAWKITNMB-UHFFFAOYSA-N;101.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98543;MM98543;C=C(CF)C(C)F;ZJJFOCIJHWALPR-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98544;MM98544;C=C(CC)C(F)F;RODXTEWIVPFUAI-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98545;MM98545;C=C(CF)C(F)F;DYDMLKYUCMSIRZ-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98546;MM98546;CC(O)C(=O)CO;KXZUWTXQPYQEFV-UHFFFAOYSA-N;104.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98547;MM98547;CCC(=O)C(C)F;WVKQNTDRGRRVGF-UHFFFAOYSA-N;104.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98548;MM98548;CC(F)C(=O)CF;ROIKWHCDLYQHCR-UHFFFAOYSA-N;108.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98549;MM98549;CCC(=O)C(F)F;LDPMZMCSZUOAPM-UHFFFAOYSA-N;108.09;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98550;MM98550;CNC(=N)C(C)C;IIBCGCUGEKIFBY-UHFFFAOYSA-N;100.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98551;MM98551;CC(N)C(=N)NO;MNXGWKHGKABNQN-UHFFFAOYSA-N;103.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98552;MM98552;CC(O)C(=N)NN;OQUQJBBHXOWIOI-UHFFFAOYSA-N;103.13;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98553;MM98553;CC(O)C(=N)NO;TWQGERCRJDBWSY-UHFFFAOYSA-N;104.11;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98554;MM98554;CC(F)(F)CC(=NO)NN;OBIGPIRYFPCQFG-UHFFFAOYSA-N;153.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98555;MM98555;C#CC(C)NC(C=O)C=O;CCVKEKSWKBBSNR-UHFFFAOYSA-N;139.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98556;MM98556;CC(O)C(=O)NO;UMWLLBUJJGXZFQ-UHFFFAOYSA-N;105.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98557;MM98557;CC(F)C(=O)NN;CQVGZTCHHRBKHF-UHFFFAOYSA-N;106.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98558;MM98558;CC(F)C(=O)NO;FFZBMTHTDNGLRI-UHFFFAOYSA-N;107.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98559;MM98559;C=C(OC)C(C)C;KDMASJAWKNAFBX-UHFFFAOYSA-N;100.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98560;MM98560;C=C(OC)C(C)F;CJFGTGVKWSXBJY-UHFFFAOYSA-N;104.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98561;MM98561;C=C(OC)C(F)F;DOSDBIOMYSVIHX-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98562;MM98562;COC(=O)C(C)C;BHIWKHZACMWKOJ-UHFFFAOYSA-N;102.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98563;MM98563;COC(=O)C(C)O;LPEKGGXMPWTOCB-UHFFFAOYSA-N;104.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98564;MM98564;COC(=O)C(F)F;CSSYKHYGURSRAZ-UHFFFAOYSA-N;110.06;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98565;MM98565;CCC(=N)N(C)C;HFNWYQJFWCTELT-UHFFFAOYSA-N;100.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98566;MM98566;CN(C)C(=N)CN;PTKMWMNKNHFXPX-UHFFFAOYSA-N;101.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98567;MM98567;CCC(=N)N(C)N;KQMGWOQGLBSNSF-UHFFFAOYSA-N;101.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98568;MM98568;CN(O)C(=N)CN;QKUXVGLVQVTHSF-UHFFFAOYSA-N;103.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98569;MM98569;CCC(=O)N(C)N;AWTQOFSNPYKUPP-UHFFFAOYSA-N;102.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98570;MM98570;CCC(=O)N(C)O;MQQVEFUFSUQVBA-UHFFFAOYSA-N;103.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98571;MM98571;COC(=O)CC(=NO)NN;STCSAMHBXQBLOU-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98572;MM98572;CN(C)C(=O)NO;SJIIGPWRRLKCEI-UHFFFAOYSA-N;104.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98573;MM98573;C=CC(=C)C(C)N;HWUMHERWNVROTQ-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98574;MM98574;CNN=C(CC=NO)NO;RREZSAHPPDTDNM-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98575;MM98575;C=C(C#N)C(C)O;YWHFEWPKYNNWRC-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98576;MM98576;C=CC(=C)C(C)F;WKLZSAPACXHMOG-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98577;MM98577;C=C(C#N)C(C)F;XCPIZMYQFPWIGT-UHFFFAOYSA-N;99.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98578;MM98578;C=CC(=C)C(F)F;WRXQHHOWCBIPRX-UHFFFAOYSA-N;104.1;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98579;MM98579;C=C(C=O)C(F)F;CHXJJJLZRBQMEP-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98580;MM98580;C=CC(=O)C(F)F;LGZSUHXIIFASSC-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98581;MM98581;CN(C)C(=N)C=O;DRKARMQUQHXXAK-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98582;MM98582;C=CC(=N)N(C)N;YKRORKYUECSXPL-UHFFFAOYSA-N;99.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98583;MM98583;C=CC(=O)N(C)N;BNBOGOLZFVOCSC-UHFFFAOYSA-N;100.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98584;MM98584;C=CC(=O)N(C)O;WMJIEXXHUGKGQQ-UHFFFAOYSA-N;101.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98585;MM98585;C#CC(=C)C(C)O;HXRSWFFPVUBTMR-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98586;MM98586;C#CC(=C)C(C)F;KERJAXLOKFCIIJ-UHFFFAOYSA-N;98.12;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98587;MM98587;C#CC(=C)C(F)F;HUBCXGGBSTVPEO-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98588;MM98588;C=C(C)C(=C)CC;PJXJBPMWCKMWLS-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98589;MM98589;C=C(CC)C(=N)N;HBVLZRVTPSURQC-UHFFFAOYSA-N;98.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98590;MM98590;C=C(CN)C(=N)N;ASWDJFYSMCZANQ-UHFFFAOYSA-N;99.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98591;MM98591;C=C(CN)C(N)=O;RAEHXSKHKLIQRE-UHFFFAOYSA-N;100.12;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98592;MM98592;C=C(CO)C(N)=O;LUOPFCDZQGKIDO-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98593;MM98593;C=C(CC)C(=O)O;WROUWQQRXUBECT-UHFFFAOYSA-N;100.12;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98594;MM98594;C=C(CF)C(=O)O;LFRKWTIHOBLWSY-UHFFFAOYSA-N;104.08;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98595;MM98595;C=C(F)C(=C)CC;LKKBDLMTQNDXSG-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98596;MM98596;C=C(F)C(=C)CF;GYBFLODVDHTFIO-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98597;MM98597;C=C(C)C(=O)CC;GHHGVSCQWPVENX-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98598;MM98598;CCC(=O)C(N)=O;RRMINFSIXCUCNS-UHFFFAOYSA-N;101.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98599;MM98599;NC(=O)C(=O)CO;OSQDMYSHECWCBF-UHFFFAOYSA-N;103.08;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98600;MM98600;NC(=O)C(=O)CF;XKXMMLXCXCSKIH-UHFFFAOYSA-N;105.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98601;MM98601;Cc1c(O)oc(F)c1F;RIIJFKLEKURYFF-UHFFFAOYSA-N;134.08;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98602;MM98602;C=COc1coc(O)c1;BWVDPBQPOWCUJI-UHFFFAOYSA-N;126.11;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98603;MM98603;O=C(O)C(=O)CF;CXABZTLXNODUTD-UHFFFAOYSA-N;106.05;-0.39;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98604;MM98604;C=C(F)C(=O)CF;QDYPNNGOWONGLF-UHFFFAOYSA-N;106.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98605;MM98605;C=C(C)C(=N)NC;PLUXHOPASWUSAJ-UHFFFAOYSA-N;98.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98606;MM98606;C=C(C)C(=N)NO;UWJLTYDYDUBBDD-UHFFFAOYSA-N;100.12;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98607;MM98607;CN(O)C(CC=NO)=NN;SQSAHOAATXBKCL-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98608;MM98608;C=CC#Cc1coc(O)c1;RTZPVHJNVHNBIE-UHFFFAOYSA-N;134.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98609;MM98609;NN=c1[nH]c(=O)n(O)n1O;GHWOLTYSGMUWFV-UHFFFAOYSA-N;147.09;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98610;MM98610;N=c1ncn(O)c(N)c1O;QBUXYYLAECMDAT-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98611;MM98611;CNC(=O)C(C)=O;GZZHNVXPOYJJJC-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98612;MM98612;C=C(F)C(=O)NN;YXSGRPUBBJZIEM-UHFFFAOYSA-N;104.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98613;MM98613;C=C(C)C(=C)OC;CTUDRKGGAIDKSV-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98614;MM98614;C=C(F)C(=C)OC;GVXCBGMAPOXJCS-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98615;MM98615;C=C(C)C(=O)OC;VVQNEPGJFQJSBK-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98616;MM98616;C=C(F)C(=O)OC;ZTZJVAOTIOAZGZ-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98617;MM98617;C=CC(=C)C(=C)C;LOKUIYQQHLBJKR-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98618;MM98618;C=CC(=C)C(=N)N;WLUYQQLGZJKSTR-UHFFFAOYSA-N;96.13;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98619;MM98619;C=C(C=O)C(=N)N;UJCTZISSOBLGIN-UHFFFAOYSA-N;98.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98620;MM98620;C=C(C#N)C(=N)N;XYAOEPWUPIWXMH-UHFFFAOYSA-N;95.11;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98621;MM98621;C=CC(=C)C(=O)O;GJIIAJVOYIPUPY-UHFFFAOYSA-N;98.1;0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98622;MM98622;C=C(C#N)C(=O)O;IJVRPNIWWODHHA-UHFFFAOYSA-N;97.07;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98623;MM98623;C=CC(=C)C(=C)F;SBXKYKWJRFIXPN-UHFFFAOYSA-N;98.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98624;MM98624;C=C(F)C(=C)C#N;PUSCMAAXPWGACM-UHFFFAOYSA-N;97.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98625;MM98625;CC1NC1CC(C#N)C#N;CCIQBQFQYBFJPH-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98626;MM98626;C=CC(=O)C(N)=O;XYDCCJFDZNZRJD-UHFFFAOYSA-N;99.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98627;MM98627;NC(=O)C(=O)C=O;FFACSWPKHDJCCY-UHFFFAOYSA-N;101.06;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98628;MM98628;C=C(F)C(=O)C#N;YLTVPYJIDLBGPS-UHFFFAOYSA-N;99.06;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98629;MM98629;C#CC(=C)C(C)=O;IZUWUIUNEBXYIX-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98630;MM98630;C#CC(=C)C(=O)O;VBNDNWCYROESCM-UHFFFAOYSA-N;96.09;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98631;MM98631;C#CC(=C)C(=C)F;VZKSTTRWJIAFLP-UHFFFAOYSA-N;96.1;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98632;MM98632;C#CC(=O)C(=C)F;MOMKEPXEFVZLCZ-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98633;MM98633;CC=C(C)C(C)C;PPBWEVVDSRKEIK-UHFFFAOYSA-N;98.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98634;MM98634;CC(=CF)C(C)C;KHTBZHLRQOGIDF-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98635;MM98635;CC=C(C)C(C)N;PGBKPGJPRBGSIH-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98636;MM98636;CC=Nn1c(=N)[nH]oc1=N;LPFNDIRBEVIXKM-UHFFFAOYSA-N;141.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98637;MM98637;CC=C(C)C(C)F;PAEVGAZFFIWMQK-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98638;MM98638;CC=C(C)C(F)F;PSSQOOZBBODJQJ-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98639;MM98639;CC(=CF)C(F)F;OYDSXAMESUVHGT-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98640;MM98640;CC=C(F)C(C)C;KAAUYFFAXUEVAO-UHFFFAOYSA-N;102.15;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98641;MM98641;CC(C)C(F)=CF;TXBCGAFIDWPCJK-UHFFFAOYSA-N;106.12;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98642;MM98642;CC=C(F)C(C)O;UGKIZUXCXCKOBW-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98643;MM98643;CC(O)C(F)=CF;JYPKLJGXCXNMOS-UHFFFAOYSA-N;108.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98644;MM98644;CC=C(F)C(C)F;PUYURQRTOTYZEW-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98645;MM98645;CC(F)C(F)=CF;MQHIXRKMCLLGMY-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98646;MM98646;CC=C(F)C(F)F;AGMISSLLZYLWFJ-UHFFFAOYSA-N;110.08;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98647;MM98647;FC=C(F)C(F)F;ZUAQTIHDWIHCSV-UHFFFAOYSA-N;114.04;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98648;MM98648;COC(=NO)C(O)CC#N;CDZRNOXJUREZAI-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98649;MM98649;CN=C(C)N(C)C;UCBFBQXXPWLTSZ-UHFFFAOYSA-N;100.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98650;MM98650;C=C(C)C(C)=CC;PCCCQOGUVCNYOI-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98651;MM98651;C=C(C)C(C)=CF;OGYGYKMEPIQDKQ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98652;MM98652;CC(=CN)C(=N)N;RIBIHUYIXNGMPH-UHFFFAOYSA-N;99.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98653;MM98653;NN=c1[nH]cc(O)n1O;FEDBHRAJEYNANS-UHFFFAOYSA-N;130.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98654;MM98654;CC(=CF)C(N)=O;ODEHNTGMAKLXJV-UHFFFAOYSA-N;103.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98655;MM98655;C=C(F)C(C)=CC;WDFPQKWPPMXPHC-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98656;MM98656;C=C(F)C(C)=CF;UXRKFLMGZXVQJV-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98657;MM98657;C=C(C)C(F)=CC;DXYQMEXICHRFCN-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98658;MM98658;C=C(C)C(F)=CF;JKYOLJYPAJDZTB-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98659;MM98659;CC(=O)C(F)=CF;UAKFZJYPVPEFRT-UHFFFAOYSA-N;106.07;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98660;MM98660;CC=C(F)C(N)=O;PTULYVHJWWNVPG-UHFFFAOYSA-N;103.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98661;MM98661;CC=C(F)C(=O)O;LWCDSJZGNUDNCO-UHFFFAOYSA-N;104.08;0.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98662;MM98662;O=C(O)C(F)=CF;LLCKXLBGFBTDHO-UHFFFAOYSA-N;108.04;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98663;MM98663;C=C(F)C(F)=CC;TTXVKSVWHRLEPK-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98664;MM98664;C=C(F)C(F)=CF;ROBMBNAZGOKZQH-UHFFFAOYSA-N;108.06;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98665;MM98665;CCOCC(=NO)NN;SHKBKQMVCLINDA-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98666;MM98666;CC(=NN)C(=N)N;WEMIGOMWGBZODA-UHFFFAOYSA-N;100.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98667;MM98667;N#CC(C#N)CC1CN1;PIVZDINSKBJDHO-UHFFFAOYSA-N;121.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98668;MM98668;C=C(F)C(C)=NO;KTIJIYKSZWWSCK-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98669;MM98669;CCC(C)=C(C)C;WFHALSLYRWWUGH-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98670;MM98670;N#CC(=O)NNC=NC=N;PNOXSHZOQQCTEB-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98671;MM98671;CC(C)=C(C)CF;VDYXOIPEOGSADO-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98672;MM98672;CC(F)=C(C)CO;JQFAWVMVCTXPIC-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98673;MM98673;CC(F)=C(C)CF;QIHSFLFSVDUSBO-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98674;MM98674;CCC(C)=C(F)F;GQYQURRREVVBTL-UHFFFAOYSA-N;106.12;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98675;MM98675;CC(CF)=C(F)F;CAMBEDOMHIQIKW-UHFFFAOYSA-N;110.08;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98676;MM98676;CCC(F)=C(C)C;VACMAHCRHMSDPP-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98677;MM98677;CC(C)=C(F)CF;XLADBQXUXGRIKK-UHFFFAOYSA-N;106.12;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98678;MM98678;CCC(F)=C(C)F;VCJWGKQIJHMOQB-UHFFFAOYSA-N;106.12;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98679;MM98679;CCC(F)=C(F)F;DZWYKNVXBDJJHP-UHFFFAOYSA-N;110.08;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98680;MM98680;FCC(F)=C(F)F;PGJHURKAWUJHLJ-UHFFFAOYSA-N;114.04;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98681;MM98681;C=CC(C)=C(C)C;KFQWHHUZLDASRR-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98682;MM98682;CC(C)=C(C)C=O;XGSZRMLYTKMPFE-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98683;MM98683;CC(C)=C(C)C#N;BJWNKFVWHPJKQZ-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98684;MM98684;CC(N)=C(C)C=O;XIQGCAMBPMXNID-UHFFFAOYSA-N;99.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98685;MM98685;C=CC(C)=C(C)F;GQZZTJIBYVGOLW-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98686;MM98686;CC(F)=C(C)C#N;DYKHDBQRCUQODK-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98687;MM98687;CC(C=O)=C(N)N;PAKPYEVNDOWKIV-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98688;MM98688;C=CC(C)=C(F)F;XFYSKRKGPGPCKL-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98689;MM98689;CC(C=O)=C(F)F;UGVWFKOSUQNZCP-UHFFFAOYSA-N;106.07;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98690;MM98690;CC(C#N)=C(F)F;KCDOXRIJGMORAQ-UHFFFAOYSA-N;103.07;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98691;MM98691;C=CC(F)=C(C)C;VPUBQECFXPRSIO-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98692;MM98692;CC(C)=C(F)C=O;BIDXSIRKAVZREN-UHFFFAOYSA-N;102.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98693;MM98693;CC(C)=C(F)C#N;YGLQZSWCZOQGMW-UHFFFAOYSA-N;99.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98694;MM98694;CC(N)=C(F)C=O;RSRPAQUUSXZDDX-UHFFFAOYSA-N;103.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98695;MM98695;C=CC(F)=C(C)F;XLRNORMSARTZAC-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98696;MM98696;CC(F)=C(F)C=O;IQLJIOQGLBRJFB-UHFFFAOYSA-N;106.07;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98697;MM98697;C=CC(F)=C(F)F;FWTUDISDSYABRU-UHFFFAOYSA-N;108.06;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98698;MM98698;O=CC(F)=C(F)F;MVISVEDEJVSQCF-UHFFFAOYSA-N;110.03;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98699;MM98699;N#CC(F)=C(F)F;KDUAIKFAYXQCMF-UHFFFAOYSA-N;107.03;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98700;MM98700;C#CC(F)=C(C)C;GBELDXJZZZMSMS-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98701;MM98701;C#CC(F)=C(C)F;KUNBGTJEBWRYOO-UHFFFAOYSA-N;102.08;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98702;MM98702;C#CC(F)=C(F)F;BUMWGISVKFKMPF-UHFFFAOYSA-N;106.05;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98703;MM98703;CCC1(C)CCC1;WUOZZMMDWGYARE-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98704;MM98704;CC1(CN)CCC1;NZBCGJVYSMLKRN-UHFFFAOYSA-N;99.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98705;MM98705;COc1c[nH]c(=NO)n1N;GYZGTXJHOPMEHZ-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98706;MM98706;CC1(CF)CCC1;OHMLPXIJYMNNDC-UHFFFAOYSA-N;102.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98707;MM98707;CCC1(N)CCC1;XGXNQIUNHHNDAQ-UHFFFAOYSA-N;99.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98708;MM98708;NCC1(N)CCC1;XCJMSKRFAJQWSS-UHFFFAOYSA-N;100.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98709;MM98709;NC1(CO)CCC1;VRDXDROAZSDMSA-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98710;MM98710;NC1(CF)CCC1;MIDTUVOKEMQNOO-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98711;MM98711;CC1=NC(=O)CN1N;ANFLLBZWAWAONV-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98712;MM98712;NCC1(O)CCC1;QMRGVILFWQUZKR-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98713;MM98713;OCC1(O)CCC1;KTVGYAJQQQUOQX-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98714;MM98714;OC1(CF)CCC1;SAYNACNHTXVDOK-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98715;MM98715;CCC1(F)CCC1;RKNDJZMNIOVQIG-UHFFFAOYSA-N;102.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98716;MM98716;NCC1(F)CCC1;RZWAZRQVBUSOLT-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98717;MM98717;OCC1(F)CCC1;KKIPAQKFWDBCFV-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98718;MM98718;FCC1(F)CCC1;NZKFOWJFTGFPKU-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98719;MM98719;CNC1(C)CCC1;BRRVPUKFALTISS-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98720;MM98720;COC1(C)CCC1;DXIDBOGURSGGDZ-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98721;MM98721;CCC1(C)CNC1;JCGWCOCQLMXRKE-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98722;MM98722;CC1(CN)CNC1;LCRGNSQMMQEGPA-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98723;MM98723;CC1(CO)CNC1;SOYCFNZZDDLHII-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98724;MM98724;CC1(CF)CNC1;AZGBMWVNXQDYDN-UHFFFAOYSA-N;103.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98725;MM98725;CCC1(N)CNC1;RVNJQVUOPVMKCW-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98726;MM98726;NCC1(N)CNC1;PYPLCYWXYZFRSZ-UHFFFAOYSA-N;101.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98727;MM98727;NC1(CO)CNC1;LPNBQFJEVNTYOC-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98728;MM98728;NC1(CF)CNC1;WFNLHSMATKJZBP-UHFFFAOYSA-N;104.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98729;MM98729;CCC1(O)CNC1;RGUOUHAUMKCLCU-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98730;MM98730;NCC1(O)CNC1;TUWKROJQFCRRPG-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98731;MM98731;OC1(CF)CNC1;QWFIBCNAWNJEIB-UHFFFAOYSA-N;105.11;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98732;MM98732;NCC1(F)CNC1;VVTQBFXXUVPCHK-UHFFFAOYSA-N;104.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98733;MM98733;CNC1(C)CNC1;ADMHEZZKEKREJH-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98734;MM98734;COC1(C)CNC1;NLQOJPCZZYNBFZ-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98735;MM98735;CCC1(C)COC1;LXGCIBZDAQMLHO-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98736;MM98736;CC1(CN)COC1;MCPRXSXYXHMCKF-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98737;MM98737;CC1(CO)COC1;NLQMSBJFLQPLIJ-UHFFFAOYSA-N;102.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98738;MM98738;CC1(CF)COC1;AHKMXZMZVXQYFM-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98739;MM98739;CCC1(N)COC1;DFNDHTNAOKAPGX-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98740;MM98740;NCC1(N)COC1;HDJHJIJAHCNSAD-UHFFFAOYSA-N;102.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98741;MM98741;NC1(CO)COC1;HBGXGFLFLLDTML-UHFFFAOYSA-N;103.12;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98742;MM98742;CCC1(O)COC1;QGXMKEGFTNLFQQ-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98743;MM98743;NCC1(O)COC1;VJXPRLZGWQAQEX-UHFFFAOYSA-N;103.12;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98744;MM98744;OCC1(O)COC1;TVRBHJADIOFJDI-UHFFFAOYSA-N;104.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98745;MM98745;OC1(CF)COC1;ZLXHIADYFXEGHL-UHFFFAOYSA-N;106.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98746;MM98746;CCC1(F)COC1;GRPHXQZBCBGEDA-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98747;MM98747;NCC1(F)COC1;CKOHQNWYAGJORO-UHFFFAOYSA-N;105.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98748;MM98748;OCC1(F)COC1;BBAFPURKVADOED-UHFFFAOYSA-N;106.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98749;MM98749;FCC1(F)COC1;MFQBPHCQNIQOJN-UHFFFAOYSA-N;108.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98750;MM98750;CNC1(C)COC1;XAEZCKXASAEYST-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98751;MM98751;COC1(C)COC1;VPHUQXVIKGHGFQ-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98752;MM98752;CCC1(C)CCN1;GOGSYMAYQUIPOG-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98753;MM98753;CC1(CN)CCN1;RNPPEKZECXMPHL-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98754;MM98754;CC1(CO)CCN1;BYVJKTPUHLLSLC-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98755;MM98755;CC1(CF)CCN1;JWBBAVZREINZDR-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98756;MM98756;CCC1(C)CCO1;KSDFCMCZNDNYSA-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98757;MM98757;CC1(CN)CCO1;MXDPNQXVFYMEEG-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98758;MM98758;CC1(CO)CCO1;SHSBMPDSSWZEPU-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98759;MM98759;CC1(CF)CCO1;KWVZQLZRBZFSSH-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98760;MM98760;C=CC1(C)CCC1;QEJOJFOKXSVOFP-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98761;MM98761;CC1(C=O)CCC1;NCJXPECBGWEDFS-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98762;MM98762;CC1(C#N)CCC1;MTOOTCYFFLHCRY-UHFFFAOYSA-N;95.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98763;MM98763;C=CC1(N)CCC1;KYKUXZTYORVSCR-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98764;MM98764;Nn1ccc(=NO)n1N;NNWBZBOBEQEYPA-UHFFFAOYSA-N;129.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98765;MM98765;O=CC1(O)CCC1;SYLAYGOQWMZORB-UHFFFAOYSA-N;100.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98766;MM98766;N#CC1(O)CCC1;VGOUNPBUASFCKC-UHFFFAOYSA-N;97.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98767;MM98767;C=CC1(F)CCC1;NVDAQMGSFFBHFS-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98768;MM98768;O=CC1(F)CCC1;DVPHOLJCCXSUSN-UHFFFAOYSA-N;102.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98769;MM98769;N#CC1(F)CCC1;GBEYTYXBPVBBHD-UHFFFAOYSA-N;99.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98770;MM98770;C=CC1(C)CNC1;YHJFOBPZICJBKG-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98771;MM98771;CC1(C=O)CNC1;FMTSAKYDQUJZPX-UHFFFAOYSA-N;99.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98772;MM98772;C=CC1(N)CNC1;HRKFYWMGHWQPRC-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98773;MM98773;C=CC1(O)CNC1;SBFXOHASBHXRMI-UHFFFAOYSA-N;99.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98774;MM98774;NC=NC(=NO)C(=O)NN;JRAWZZJQZKGTMK-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98775;MM98775;N#CC1(F)CNC1;PQQJQYCMNWSTSA-UHFFFAOYSA-N;100.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98776;MM98776;C=CC1(C)COC1;CUNQKAHJJFMZRE-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98777;MM98777;CC1(C=O)COC1;DUQGFIKXKISULR-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98778;MM98778;CC1(C#N)COC1;JHLDEOHYZQLQRJ-UHFFFAOYSA-N;97.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98779;MM98779;C=CC1(N)COC1;JAFZHZFJNYQODY-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98780;MM98780;C=CC1(O)COC1;IRTNICKAXISCBY-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98781;MM98781;O=CC1(O)COC1;FIXVBRRQHYCKGL-UHFFFAOYSA-N;102.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98782;MM98782;N#CC1(O)COC1;FYRFQGJXETWAKL-UHFFFAOYSA-N;99.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98783;MM98783;C=CC1(F)COC1;XZNJPXNIXGBIMQ-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98784;MM98784;O=CC1(F)COC1;QVTPEAKDDPJRHG-UHFFFAOYSA-N;104.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98785;MM98785;C=CC1(C)CCN1;HYBJFPYWEDDUMD-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98786;MM98786;CC1(C=O)CCN1;MKIOLLPNPWBWBG-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98787;MM98787;CC1(C#N)CCN1;LOJTXHWRUMDEIQ-UHFFFAOYSA-N;96.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98788;MM98788;C=CC1(C)CCO1;BHOJJZTVUGWMQA-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98789;MM98789;CC1(C=O)CCO1;XSRWYWSEYGDCTP-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98790;MM98790;CC1(C#N)CCO1;RSQZYDCMOZQLKX-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98791;MM98791;C#CC1(C)CCC1;VNVOJPFSGNOBAP-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98792;MM98792;C#CC1(N)CCC1;KDSZHLCFSYQMCH-UHFFFAOYSA-N;95.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98793;MM98793;C#CC1(O)CCC1;MXZYOPVAKCCOJN-UHFFFAOYSA-N;96.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98794;MM98794;C#CC1(F)CCC1;RVLXNXBENSACMW-UHFFFAOYSA-N;98.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98795;MM98795;C#CC1(C)CNC1;YHIZQYVPVZNAOH-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98796;MM98796;C#CC1(N)CNC1;NSMXYZGEXXEDIS-UHFFFAOYSA-N;96.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98797;MM98797;C#CC1(C)COC1;MFMBEVUFBLJCBC-UHFFFAOYSA-N;96.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98798;MM98798;C#CC1(O)COC1;VDKFNBYHNNAJBC-UHFFFAOYSA-N;98.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98799;MM98799;C#CC1(F)COC1;BAIFADOAFOCMFV-UHFFFAOYSA-N;100.09;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98800;MM98800;C#CC1(C)CCN1;HEFDIGVQQGODMC-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98801;MM98801;C#CC1(C)CCO1;DQBHUMHPCWSANX-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98802;MM98802;CCCC1(C)CC1;LSFCLHNARNYBLB-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98803;MM98803;CC1(CCN)CC1;QTLHJKSNSNAIIC-UHFFFAOYSA-N;99.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98804;MM98804;C#Cc1c[nH]c(=NO)[nH]1;FQLNYHDTYGUJCC-UHFFFAOYSA-N;123.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98805;MM98805;CC1(CCF)CC1;ISWDPTHGUOGVGA-UHFFFAOYSA-N;102.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98806;MM98806;CCCC1(N)CC1;ZADCUMFVTUWSAW-UHFFFAOYSA-N;99.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98807;MM98807;NCCC1(N)CC1;ASADPWMASHWPHP-UHFFFAOYSA-N;100.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98808;MM98808;NC1(CCO)CC1;OFSYESXYBFSNEQ-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98809;MM98809;NC1(CCF)CC1;QOSCYLKLGPHMNI-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98810;MM98810;CC(N=CN1CC1)=NO;YMROTWUITOPRGG-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98811;MM98811;NCCC1(O)CC1;UHORUBYOVZVQKT-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98812;MM98812;OCCC1(O)CC1;RNVXPSVEYCEKOX-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98813;MM98813;OC1(CCF)CC1;ZFAOSVOUEABSIU-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98814;MM98814;CCCC1(F)CC1;PUFGLOCMMNRNHN-UHFFFAOYSA-N;102.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98815;MM98815;NCCC1(F)CC1;RSNVXCHINCZEHN-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98816;MM98816;OCCC1(F)CC1;RBJZSZDNPSVLCM-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98817;MM98817;FCCC1(F)CC1;PFMCSMDHUMEMCT-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98818;MM98818;CNCC1(C)CC1;BXWMIHKQAAXKOG-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98819;MM98819;CNCC1(N)CC1;DDYIOPIRUPVTNS-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98820;MM98820;CNCC1(O)CC1;MVLYIQLMFKZWRQ-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98821;MM98821;CNCC1(F)CC1;ZXVVKPXCHULCSL-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98822;MM98822;COCC1(C)CC1;ACUOERLNXWJPQW-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98823;MM98823;COCC1(N)CC1;KWXIMSDLQSTXBC-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98824;MM98824;COCC1(O)CC1;YVKLWLLSWZGMCF-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98825;MM98825;COCC1(F)CC1;HKORQENNCDVDDN-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98826;MM98826;CCNC1(C)CC1;OOLSBYJPLZRLCO-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98827;MM98827;CCOC1(C)CC1;FSYJSAIZYZZLQM-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98828;MM98828;CC1(CCN)CN1;UVPINTUFULRPQC-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98829;MM98829;CNCC1(C)CN1;XXRWQYWGYFCNTB-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98830;MM98830;CCCC1(C)CO1;FFXMEOKFDOVSGT-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98831;MM98831;CC1(CCN)CO1;RVRFPJSIAAUBAD-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98832;MM98832;CC1(CCO)CO1;LMMGAGCAEGFLMD-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98833;MM98833;CC1(CCF)CO1;YLJQXXQKRMGSFG-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98834;MM98834;CNCC1(C)CO1;JJSVCUAANYZLCI-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98835;MM98835;COCC1(C)CO1;HWGZYRGYOMNFSL-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98836;MM98836;CC1CC1(C)CF;QUEJOORQZAPFGK-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98837;MM98837;CC1(CO)CC1N;XXMCUWRMJFUHKS-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98838;MM98838;CC1(CF)CC1N;JHOZXOPQEFENTM-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98839;MM98839;CC1(CN)CC1O;NQTNGMKNYVULCL-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98840;MM98840;CC1(CO)CC1O;NNWSHUVTKRKRRN-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98841;MM98841;CC1(CF)CC1O;JMGHIMRVEIWGFQ-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98842;MM98842;CCC1(C)CC1F;IRQTUJBDNLNILZ-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98843;MM98843;CC1(CN)CC1F;WAMSHZSYIDOEEF-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98844;MM98844;CC1(CO)CC1F;QQLNZMXSAYQRER-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98845;MM98845;CC1(CF)CC1F;PVBCWADATXWALM-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98846;MM98846;NC1CC1(N)CO;UCHWFTUBZSXCCV-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98847;MM98847;NC1CC1(N)CF;AYCVKPRSGXHWJS-UHFFFAOYSA-N;104.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98848;MM98848;NCC1(N)CC1O;YCEGQDYZBOFARM-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98849;MM98849;NC1(CO)CC1O;MVUWZQFNHYDSSA-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98850;MM98850;CCC1(N)CC1F;PJZFNGROFHHQGW-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98851;MM98851;NCC1(N)CC1F;QBQCFWVDALUPCC-UHFFFAOYSA-N;104.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98852;MM98852;CC1CC1(O)CO;QWKJBDZRCWZTMS-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98853;MM98853;NC1CC1(O)CO;MDQKBKUAYSTUHX-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98854;MM98854;NC1CC1(O)CF;ZRVXPBUPJBTOET-UHFFFAOYSA-N;105.11;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98855;MM98855;OCC1(O)CC1O;BMNXUJQSPJSGAE-UHFFFAOYSA-N;104.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98856;MM98856;CCC1(O)CC1F;BPXNKXDQUUBEBR-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98857;MM98857;NCC1(O)CC1F;HNTWEZDJPJMROM-UHFFFAOYSA-N;105.11;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98858;MM98858;OCC1(O)CC1F;VICYERORGQVVBJ-UHFFFAOYSA-N;106.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98859;MM98859;OC1(CF)CC1F;BTTIBOPUIMGQGY-UHFFFAOYSA-N;108.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98860;MM98860;CC1CC1(F)CF;UXZKDUMBGQCLOW-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98861;MM98861;NC1CC1(F)CF;KPUWFJVROMCPMJ-UHFFFAOYSA-N;107.1;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98862;MM98862;CCC1(F)CC1F;DBOIDIXFNHJTLV-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98863;MM98863;NCC1(F)CC1F;AXODHDSGCQLBFD-UHFFFAOYSA-N;107.1;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98864;MM98864;CNC1(C)CC1N;JQQJHPRKEXNCRM-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98865;MM98865;CNC1(C)CC1O;GJLHDGVUUJEUMA-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98866;MM98866;CNC1(C)CC1F;TZROWBPNEQEKEK-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98867;MM98867;COC1(C)CC1N;MZLKQFANXXEWIS-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98868;MM98868;COC1(C)CC1O;RWTGWBQYEVFBOD-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98869;MM98869;COC1(C)CC1F;YZLCKVQVXFVNSC-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98870;MM98870;CC1OC1(C)CO;VGNAVRBYWQFGOQ-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98871;MM98871;CC1OC1(C)CF;LTDIIOIWBXRSJZ-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98872;MM98872;CC(N=CNCCO)=NO;QGASMRLCLBXALH-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98873;MM98873;CN1CC1(C)CF;VGROWUOHBOKEPI-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98874;MM98874;CC(F)C1(C)CC1;NZIHHHZJGADYLG-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98875;MM98875;CC1(C(F)F)CC1;ZSUXPWYZFVPZDF-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98876;MM98876;CC(F)C1(N)CC1;XFEYTDLLVNLCCO-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98877;MM98877;CC(O)C1(O)CC1;QNXUYNVVQFRBOM-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98878;MM98878;CC(F)C1(O)CC1;YZTBGHBBGZQOBY-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98879;MM98879;OC1(C(F)F)CC1;JYTBTHLXXJEMMD-UHFFFAOYSA-N;108.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98880;MM98880;CC(O)C1(F)CC1;RBKDIBUWCMXJKX-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98881;MM98881;CC(F)C1(F)CC1;LXCMKSXDPGWTGL-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98882;MM98882;FC(F)C1(F)CC1;CLCJAPODLWVJFM-UHFFFAOYSA-N;110.08;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98883;MM98883;CC(F)C1(C)CN1;HSFQJYRCVZSHLK-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98884;MM98884;CC1(C(F)F)CN1;SQCOCMQYRHSDPW-UHFFFAOYSA-N;107.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98885;MM98885;CC(N)C1(C)CO1;BDEOCCLTUZEBNG-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98886;MM98886;CC(O)C1(C)CO1;GSZYRUXKQZWHKE-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98887;MM98887;CC(F)C1(C)CO1;BWGBMBWWIVPBQN-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98888;MM98888;CC1(C(F)F)CO1;IAYYNPIDPKSVPX-UHFFFAOYSA-N;108.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98889;MM98889;CC(C)(C)C1CC1;CJKIVLPJDVFXJP-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98890;MM98890;CC(C)(N)C1CC1;OOXIEUXBOSSXJM-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98891;MM98891;CCOC(N=CNC)=NO;YJDHLSOVJIKLBP-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98892;MM98892;CC(C)(F)C1CC1;SIPPSZVKGIBTMO-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98893;MM98893;CC(F)(F)C1CC1;JLWGYBPAAOQNPH-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98894;MM98894;FC(F)(F)C1CC1;JFHAGWAOOHJDEP-UHFFFAOYSA-N;110.08;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98895;MM98895;CC(C)(N)C1CN1;SXXLHNHEEJMICI-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98896;MM98896;CC(F)(F)C1CN1;JFRJAAIVPXEQSX-UHFFFAOYSA-N;107.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98897;MM98897;FC(F)(F)C1CN1;DGVFNDDTGVJYPF-UHFFFAOYSA-N;111.07;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98898;MM98898;CC(C)(C)C1CO1;HEAYDCIZOFDHRM-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98899;MM98899;CC(C)(N)C1CO1;WJUMTCIKIKLJDR-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98900;MM98900;CC(C)(O)C1CO1;GDUKJERMEWMMMD-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98901;MM98901;CC(C)(F)C1CO1;OFSQPBODPURWFD-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98902;MM98902;CC(F)(F)C1CO1;AFFHQKWONCENOQ-UHFFFAOYSA-N;108.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98903;MM98903;FC(F)(F)C1CO1;AQZRARFZZMGLHL-UHFFFAOYSA-N;112.05;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98904;MM98904;CC1CCC(C)C1;XAZKFISIRYLAEE-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98905;MM98905;CC1CCC(N)C1;LGSSDLSVHUCRFI-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98906;MM98906;COn1c(=N)[nH]oc1=NN;TXBQZGNDVREUMN-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98907;MM98907;CC1CCC(F)C1;AZWBKLYAQUKDRP-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98908;MM98908;NC1CCC(N)C1;ZQWRZCZEOLZBQF-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98909;MM98909;NC1CCC(O)C1;YHFYRVZIONNYSM-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98910;MM98910;NC1CCC(F)C1;YEPOLBBUNYSRBS-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98911;MM98911;OC1CCC(O)C1;NUUPJBRGQCEZSI-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98912;MM98912;OC1CCC(F)C1;PYHNSBDAZSAIRU-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98913;MM98913;FC1CCC(F)C1;UHZRIIKQVUWYSJ-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98914;MM98914;CC1CNC(C)C1;DUOJVRWFIHNZTJ-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98915;MM98915;CC1CC(N)CN1;UNVQHSVRIOLLPZ-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98916;MM98916;CC1CC(O)CN1;AGTDSFXRPBMMGQ-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98917;MM98917;CC1CC(F)CN1;VDQWBMJIPFGCSK-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98918;MM98918;CC1COC(C)C1;QMGLMRPHOITLSN-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98919;MM98919;CC1CC(N)CO1;HLAUKISKFSLYFI-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98920;MM98920;CC1CC(O)CO1;KSTOUTVBGBEWOS-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98921;MM98921;CC1CC(F)CO1;ZMQVIRXWHCRXJD-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98922;MM98922;CC1CCC(C)N1;ZEBFPAXSQXIPNF-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98923;MM98923;CC1CCC(C)O1;OXMIDRBAFOEOQT-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98924;MM98924;CC1COC(C)O1;ROSFUFIOLRQOON-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98925;MM98925;CC1CCN(C)C1;IGNGFGXAWDQJGP-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98926;MM98926;CN1CCC(N)C1;UNHOPMIDKWXFMF-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98927;MM98927;CN1CCC(O)C1;FLVFPAIGVBQGET-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98928;MM98928;C=C1CCC(C)C1;BMLMXLRJGCBOOF-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98929;MM98929;CC1CCC(=O)C1;AOKRXIIIYJGNNU-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98930;MM98930;C=C1CCC(N)C1;REPIHLPSVHBMTJ-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98931;MM98931;CC(N=CNN)=NO;PXYBIPSAHZGIDR-UHFFFAOYSA-N;116.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98932;MM98932;O=C1CCC(O)C1;GULNLSGTYCQLLM-UHFFFAOYSA-N;100.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98933;MM98933;C=C1CCC(F)C1;HUPNVDBPMGEYNH-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98934;MM98934;O=C1CCC(F)C1;PCQGQWZTRAZIOA-UHFFFAOYSA-N;102.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98935;MM98935;CC1CNC(=N)C1;IAGJRVCMUDBZSN-UHFFFAOYSA-N;98.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98936;MM98936;CC1CNC(=O)C1;YRKRGYRYEQYTOH-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98937;MM98937;N=C1CC(N)CN1;UOHLFRGVBAJZDA-UHFFFAOYSA-N;99.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98938;MM98938;NC1CNC(=O)C1;JIMSBKAHGYGPLD-UHFFFAOYSA-N;100.12;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98939;MM98939;N=C1CC(O)CN1;DIQHMEPXEORKKA-UHFFFAOYSA-N;100.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98940;MM98940;O=C1CC(O)CN1;IOGISYQVOGVIEU-UHFFFAOYSA-N;101.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98941;MM98941;N=C1CC(F)CN1;HJVMPNPQCFSOBE-UHFFFAOYSA-N;102.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98942;MM98942;O=C1CC(F)CN1;NXHUUQKYJFXGMA-UHFFFAOYSA-N;103.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98943;MM98943;C=C1CC(C)CO1;WPOSUEGVLVYQBR-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98944;MM98944;CC1COC(=O)C1;ALZLTHLQMAFAPA-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98945;MM98945;C=C1CC(N)CO1;WLRVZEADUBYCSA-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98946;MM98946;NC1COC(=O)C1;IFDRUMHFSJJIGX-UHFFFAOYSA-N;101.11;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98947;MM98947;C=C1CC(O)CO1;GJZSWOMWOKVXNI-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98948;MM98948;O=C1CC(O)CO1;FUDDLSHBRSNCBV-UHFFFAOYSA-N;102.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98949;MM98949;C=C1CC(F)CO1;NMPIRWSZMUJVFL-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98950;MM98950;O=C1CC(F)CO1;HEFOXLVMKSVUQQ-UHFFFAOYSA-N;104.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98951;MM98951;C=C1CNC(C)C1;WVOYBDLJXXLBCS-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98952;MM98952;CC1CC(=N)NN1;JOQVJPCBEDYAAU-UHFFFAOYSA-N;99.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98953;MM98953;ON=c1[nH]cc(CF)[nH]1;DAVPZGVRQDCWBD-UHFFFAOYSA-N;131.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98954;MM98954;C=C1COC(C)C1;RXBMMISOWZLTRU-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98955;MM98955;CC1CC(=O)CO1;YJZXJDJWRQIWDL-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98956;MM98956;CC1CC(=N)NO1;HAVLTQQTLZIBAK-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98957;MM98957;CC1CCC(=N)N1;DDQFWSHGBVMBEM-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98958;MM98958;CC1CCC(=O)N1;YVIVRJLWYJGJTJ-UHFFFAOYSA-N;99.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98959;MM98959;CC1CNC(=N)N1;REEBTHVEGMVLIR-UHFFFAOYSA-N;99.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98960;MM98960;CC1CNC(=O)N1;DWEQVNFWAKJCEY-UHFFFAOYSA-N;100.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98961;MM98961;CC1COC(=O)N1;VAJFEOKPKHIPEN-UHFFFAOYSA-N;101.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98962;MM98962;C=C1CCC(C)O1;MLWJBKBJTPCRTP-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98963;MM98963;CC1CCC(=O)O1;GAEKPEKOJKCEMS-UHFFFAOYSA-N;100.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98964;MM98964;CC1CNC(=N)O1;ZHFKVNRMZIOKGZ-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98965;MM98965;CC1CNC(=O)O1;HBRXQSHUXIJOKV-UHFFFAOYSA-N;101.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98966;MM98966;CC1COC(=O)O1;RUOJZAUFBMNUDX-UHFFFAOYSA-N;102.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98967;MM98967;C=C1COC(C)O1;CDDPSIWBOGNOBA-UHFFFAOYSA-N;100.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98968;MM98968;CC1OCC(=O)O1;WJPPHWUAGJOEFC-UHFFFAOYSA-N;102.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98969;MM98969;C=C1CCN(C)C1;DBATZJJHNTUZDQ-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98970;MM98970;CC(CN(N)C=NN)=NO;ACJHUVNVQIZYKF-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98971;MM98971;CN1CCC(=N)N1;SYLOETQSLYHKPY-UHFFFAOYSA-N;99.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98972;MM98972;CN1CCC(=O)N1;JKZWEWZMYSBQME-UHFFFAOYSA-N;100.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98973;MM98973;C=C1CCC(=C)C1;DPUPESLAFGZQOY-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98974;MM98974;C=C1CCC(=O)C1;FJWUYFCWZJZXAF-UHFFFAOYSA-N;96.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98975;MM98975;C=C1CNC(=N)C1;XIPUVPKBVKHESU-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98976;MM98976;C=C1CNC(=O)C1;CCKAQYMWWCZLAG-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98977;MM98977;N=C1CC(=O)CN1;MUNVZXZOSREQDO-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98978;MM98978;O=C1CNC(=O)C1;DOQJUNNMZNNQAD-UHFFFAOYSA-N;99.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98979;MM98979;C=C1COC(=C)C1;CKRACRUJOAIKBH-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98980;MM98980;C=C1COC(=O)C1;HXJRZYGDAMTOOL-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98981;MM98981;C=C1CC(=O)CO1;FQSZELLWJQOSOE-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98982;MM98982;N=C1CC(=N)NN1;YJNGBKRYDSMTCH-UHFFFAOYSA-N;98.11;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98983;MM98983;CC(F)C=CC(C#N)=NO;OBBUFBGIZAPGSQ-UHFFFAOYSA-N;142.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98984;MM98984;N=c1cnc(N)c(O)n1N;NVPRVJVIVPJCGV-UHFFFAOYSA-N;141.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98985;MM98985;C=C1CCC(=N)N1;GMGKKYAVQUGTOU-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98986;MM98986;C=C1CCC(=O)N1;RBIJPMMJKZSNPP-UHFFFAOYSA-N;97.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98987;MM98987;N=C1CCC(=N)N1;DQDKOANVADPVQR-UHFFFAOYSA-N;97.12;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98988;MM98988;C=NNc1ccn(O)n1;BOYQVYYWDKNICH-UHFFFAOYSA-N;126.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98989;MM98989;O=C1CCC(=O)N1;KZNICNPSHKQLFF-UHFFFAOYSA-N;99.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98990;MM98990;C=C1CNC(=N)N1;GFQCSQVBIXQJPV-UHFFFAOYSA-N;97.12;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98991;MM98991;C=C1CNC(=O)N1;XQIDJFXQMWCHFB-UHFFFAOYSA-N;98.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98992;MM98992;N=C1CNC(=N)N1;YDFBQVJHKBPPCX-UHFFFAOYSA-N;98.11;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98993;MM98993;CCNC=NC(=NO)OC;QGVVLVRADUNVAR-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98994;MM98994;CCCN(N)C(CO)=NO;VHVDETXJXCAVBG-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98995;MM98995;O=C1CNC(=O)N1;WJRBRSLFGCUECM-UHFFFAOYSA-N;100.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98996;MM98996;C=C1COC(=O)N1;NUSWDRHNSBBEEO-UHFFFAOYSA-N;99.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98997;MM98997;C=C1NC(=N)CO1;YNAMUMLVYNOFTM-UHFFFAOYSA-N;98.11;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98998;MM98998;N=C1COC(=O)N1;CVKQGYLUHQGQJF-UHFFFAOYSA-N;100.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM98999;MM98999;C=C1NC(=O)CO1;UVBABUDTGDMFOJ-UHFFFAOYSA-N;99.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99000;MM99000;N=C1NC(=O)CO1;KVUPQEKUVSNRCD-UHFFFAOYSA-N;100.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99001;MM99001;O=C1COC(=O)N1;COWNFYYYZFRNOY-UHFFFAOYSA-N;101.06;-0.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99002;MM99002;O=c1[nH][nH]c(=O)[nH]1;UDATXMIGEVPXTR-UHFFFAOYSA-N;101.07;-1.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-9.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99003;MM99003;C=C1CCC(=C)O1;RNQRAVLHSVDJNL-UHFFFAOYSA-N;96.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99004;MM99004;C=C1CCC(=O)O1;SIFBVNDLLGPEKT-UHFFFAOYSA-N;98.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99005;MM99005;O=C1CCC(=O)O1;RINCXYDBBGOEEQ-UHFFFAOYSA-N;100.07;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99006;MM99006;Cn1cc(O)n(O)c1=NN;GDWLQFNAHMSMPR-UHFFFAOYSA-N;144.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99007;MM99007;O=C1CNC(=O)O1;ARAFEULRMHFMDE-UHFFFAOYSA-N;101.06;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99008;MM99008;C=C1COC(=O)O1;KLSZDDTXTQEUSX-UHFFFAOYSA-N;100.07;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99009;MM99009;O=C1COC(=O)O1;BQKCJNGDDGMGEN-UHFFFAOYSA-N;102.05;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99010;MM99010;CC1C=CC(C)C1;PUPAPFTXLYVYPX-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99011;MM99011;CC1C=CC(N)C1;BAQHGGYGIJEPRU-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99012;MM99012;Cc1cn(N)n(N)c1=NO;SECNYPDFURKHNN-UHFFFAOYSA-N;143.15;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99013;MM99013;CC1C=CC(F)C1;YZAPHBUNWUDTIB-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99014;MM99014;NC1C=CC(N)C1;NHSLDFCSGXMJJE-UHFFFAOYSA-N;98.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99015;MM99015;NC1C=CC(O)C1;NPHHAQOEPZJMNE-UHFFFAOYSA-N;99.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99016;MM99016;NC1C=CC(F)C1;HHJJICYCBZFXPJ-UHFFFAOYSA-N;101.12;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99017;MM99017;OC1C=CC(O)C1;IGRLIBJHDBWKNA-UHFFFAOYSA-N;100.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99018;MM99018;OC1C=CC(F)C1;CLVDAZFXWBIYEJ-UHFFFAOYSA-N;102.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99019;MM99019;FC1C=CC(F)C1;LVAAEYHQMLVILK-UHFFFAOYSA-N;104.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99020;MM99020;CC1C=CC(C)N1;TXQDHQBSNAJSHQ-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99021;MM99021;CC1C=CC(C)O1;UZYVJMDRMHWAPX-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99022;MM99022;CC1C=NN(C)C1;LFPALJMPCHVPCQ-UHFFFAOYSA-N;98.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99023;MM99023;Cn1cncc(N)c1=NO;DQQAOBVUODALRI-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99024;MM99024;C#CC(C#CC1CN1)=NO;CUUHHUVVMILCMI-UHFFFAOYSA-N;134.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99025;MM99025;CC1CN(C)C=N1;ABMOCWDAAHNGED-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99026;MM99026;C=C1C=CC(C)C1;LICFURQCBBKEOA-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99027;MM99027;CC1C=CC(=O)C1;POXLZMAYYAQOLM-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99028;MM99028;C=C1C=CC(N)C1;WCARHJUJQCVKPL-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99029;MM99029;CCOCC(=NO)NNC;WXUVHOPBBZCPBN-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99030;MM99030;O=C1C=CC(O)C1;DHNDDRBMUVFQIZ-UHFFFAOYSA-N;98.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99031;MM99031;C=C1C=CC(F)C1;HYFVPVODCWYCEV-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99032;MM99032;O=C1C=CC(F)C1;LXNMRDREMYXXCU-UHFFFAOYSA-N;100.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99033;MM99033;CC1C=CC(=N)N1;FLLHLQMJMNFMIP-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99034;MM99034;CC1C=CC(=O)N1;YPTUGTJJTBAEHK-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99035;MM99035;C=C1C=CC(C)O1;SLNAAZFLKWMDOV-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99036;MM99036;CC1C=CC(=O)O1;BGLUXFNVVSVEET-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99037;MM99037;Cn1ccc(O)c1;YMGBDORZBGLLER-UHFFFAOYSA-N;97.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99038;MM99038;CN1C=NC(=O)C1;CSAJUFLXZFOWKO-UHFFFAOYSA-N;98.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99039;MM99039;Cc1cc(=NO)n(N)n1N;VLLDHTQVWGYBJM-UHFFFAOYSA-N;143.15;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99040;MM99040;CN=C(NO)C(CN)=NO;ZUIMBGDEZYWYBQ-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99041;MM99041;CC(C)OCC(=NO)NN;XGPSCEYZCFZZIL-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99042;MM99042;O=C1CN(O)C=N1;XZZBOHUUJIDLGJ-UHFFFAOYSA-N;100.08;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99043;MM99043;C=C1C=NN(C)C1;JBIFDPMDSAEUDF-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99044;MM99044;CNc1nnn(C)c1O;CMENDLIQKXUWIW-UHFFFAOYSA-N;128.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99045;MM99045;Cn1ccc(N)n1;MOGQNVSKBCVIPW-UHFFFAOYSA-N;97.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99046;MM99046;ON=c1cc(O)ncn1O;RNSMDUHQAOPJOL-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99047;MM99047;Nc1ccn(N)n1;QYPXCXAKFZEADZ-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99048;MM99048;Nn1ncc(CO)c1O;UYZNPTZBDZUUMJ-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99049;MM99049;Nc1ccn(O)n1;PRNNRLQFICDAIP-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99050;MM99050;N#Cc1cc(N)n[nH]c1=O;XEZHDVSXPONZFB-UHFFFAOYSA-N;136.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99051;MM99051;CC(=NN)N(C)OC=NO;MXMSESYNMKKVJF-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99052;MM99052;N=c1[nH]n(N)c(=O)n1N;HODNVNCZQMSGJH-UHFFFAOYSA-N;130.11;-3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99053;MM99053;Cn1ccc(=O)o1;DTJUJXBNASAHJF-UHFFFAOYSA-N;99.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99054;MM99054;Nn1ccc(=O)o1;MLXBQMXBDMKIMC-UHFFFAOYSA-N;100.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99055;MM99055;O=c1ccn(O)o1;CJIPEJBTVQXKIO-UHFFFAOYSA-N;101.06;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99056;MM99056;Cn1cnc(=N)o1;LENGVKLVPOJZFI-UHFFFAOYSA-N;99.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99057;MM99057;Cn1cnc(=O)o1;NBVNKVUJGKSRLD-UHFFFAOYSA-N;100.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99058;MM99058;N=c1ncn(N)o1;CGAALUPIBDQTHY-UHFFFAOYSA-N;100.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99059;MM99059;Nn1cnc(=O)o1;DEZQYNJUKUBYGJ-UHFFFAOYSA-N;101.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99060;MM99060;Nn1cnc(=O)c(=NO)o1;JKUGSODTSQUNFJ-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99061;MM99061;O=c1ncn(O)o1;CBPNFCLUPMGCDS-UHFFFAOYSA-N;102.05;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99062;MM99062;Cn1ncc(=O)o1;ZGMBPALEKRGVAJ-UHFFFAOYSA-N;100.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99063;MM99063;Cn1nnc(=N)o1;LGHFIKMJFUPZGT-UHFFFAOYSA-N;100.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99064;MM99064;Cn1nnc(=O)o1;KEQVXZIUPZHXGT-UHFFFAOYSA-N;101.07;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99065;MM99065;C=C1C=CC(=C)C1;CTOXPHLWJWEIHN-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99066;MM99066;C=C1C=CC(=O)C1;VPTSZGWPACYJIY-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99067;MM99067;O=C1C=CC(=O)C1;MCFZBCCYOPSZLG-UHFFFAOYSA-N;96.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99068;MM99068;C=C1C=CC(=N)N1;CTCLUEQMORALQM-UHFFFAOYSA-N;94.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99069;MM99069;C=C1C=CC(=O)N1;IMZBZJQZTZXTQI-UHFFFAOYSA-N;95.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99070;MM99070;N=C1C=CC(=N)N1;YTPCNCOVEFRSOV-UHFFFAOYSA-N;95.11;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99071;MM99071;CCCOCC(=NO)NN;MRRDAYJBXNQXMS-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99072;MM99072;O=C1C=CC(=O)N1;PEEHTFAAVSWFBL-UHFFFAOYSA-N;97.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99073;MM99073;C=C1C=NC(=N)N1;IYJIMJVDQDTAGH-UHFFFAOYSA-N;95.11;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99074;MM99074;C=C1C=NC(=O)N1;UOOWXWNVPFBLPZ-UHFFFAOYSA-N;96.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99075;MM99075;N=C1C=NC(=O)N1;ZMLJHXQHPNGPJP-UHFFFAOYSA-N;97.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99076;MM99076;N=C1N=CC(=O)N1;VUUOPBGYSXFRKK-UHFFFAOYSA-N;97.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99077;MM99077;Cc1nn(N)c(N)c1O;LELZUZNEAKASDM-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99078;MM99078;C=c1ccc(=C)o1;ZTFYRZFWGRCCCK-UHFFFAOYSA-N;94.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99079;MM99079;C=C1C=CC(=O)O1;RNYZJZKPGHQTJR-UHFFFAOYSA-N;96.09;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99080;MM99080;O=C1C=CC(=O)O1;FPYJFEHAWHCUMM-UHFFFAOYSA-N;98.06;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99081;MM99081;N=C1N=CC(=O)O1;FFQSTIIRYRFRAM-UHFFFAOYSA-N;98.06;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99082;MM99082;O=C1C=NC(=O)O1;RPSMDUOBPQCAHK-UHFFFAOYSA-N;99.05;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99083;MM99083;CC1=CCC(C)C1;YYDXWNZZLPCQSL-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99084;MM99084;CC1CC=C(F)C1;CRANWJMRTGLWCD-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99085;MM99085;CC1=CCC(N)C1;VWLXOZHQFQHRPU-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99086;MM99086;NC1CC=C(F)C1;MYFMZYYCXUWKPP-UHFFFAOYSA-N;101.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99087;MM99087;CC(=NO)C1CN1;QDQOOESVRQCLAZ-UHFFFAOYSA-N;100.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99088;MM99088;OC1CC=C(F)C1;SJJBZBALXCHWQA-UHFFFAOYSA-N;102.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99089;MM99089;CC1=CCC(F)C1;JFTKXTRSRMHIRL-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99090;MM99090;FC1=CCC(F)C1;DACLGAVQASXXRL-UHFFFAOYSA-N;104.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99091;MM99091;CC1=NNC(C)C1;XVROBKHRHJLXTD-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99092;MM99092;CC1=COC(C)C1;ZDJOMKYGXLTFMZ-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99093;MM99093;CC1CC(F)=CO1;AQGPVGKRXUEYJJ-UHFFFAOYSA-N;102.11;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99094;MM99094;CC1=NOC(C)C1;JXOVTPNBOKLRHT-UHFFFAOYSA-N;99.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99095;MM99095;CC1=NCC(C)N1;DIHAURBCYGTGCV-UHFFFAOYSA-N;98.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99096;MM99096;CC1=CCC(C)O1;QGSXQQMTEWPJHL-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99097;MM99097;CC1=COC(C)O1;IVURCTIAWLTXML-UHFFFAOYSA-N;100.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99098;MM99098;CC1=NOC(C)O1;BYCJQIRNFCZOPL-UHFFFAOYSA-N;101.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99099;MM99099;CC1=CCN(C)C1;YUQZPJCNEVZTTD-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99100;MM99100;C=C1CC=C(C)C1;ZCFQNHNWQGOULV-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99101;MM99101;C=C1CC=C(F)C1;NKHXPHOOHOJLPP-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99102;MM99102;CC1=CCC(=O)C1;BKBKRMYACDINSI-UHFFFAOYSA-N;96.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99103;MM99103;O=C1CC=C(F)C1;FLFIVKQFVLWWDB-UHFFFAOYSA-N;100.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99104;MM99104;CC1=CNC(=N)C1;WQCLFLAIAXPJGD-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99105;MM99105;N=C1CC(F)=CN1;VLOPVGJIHXUBED-UHFFFAOYSA-N;100.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99106;MM99106;CC1=CNC(=O)C1;NOBSKCMGGJFLJY-UHFFFAOYSA-N;97.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99107;MM99107;O=C1CC(F)=CN1;XAUZPFOHBVNYOA-UHFFFAOYSA-N;101.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99108;MM99108;N=c1[nH]oc(=NN)n1O;RQQHVQKZPQHLSE-UHFFFAOYSA-N;131.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99109;MM99109;CC1=NNC(=O)C1;NHLAPJMCARJFOG-UHFFFAOYSA-N;98.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99110;MM99110;C=C1CC(C)=CO1;LYAMPRRUGZKGGX-UHFFFAOYSA-N;96.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99111;MM99111;C=C1CC(F)=CO1;GWBWMUBYBZPZDW-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99112;MM99112;CC1=COC(=O)C1;MWQBWUHHUYFECR-UHFFFAOYSA-N;98.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99113;MM99113;O=C1CC(F)=CO1;CSICSVMMWIEFFI-UHFFFAOYSA-N;102.06;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99114;MM99114;CC1=CCC(=N)N1;SKJIQDHLZZWMNI-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99115;MM99115;CC1=CCC(=O)N1;LFBGIFBGRANTTN-UHFFFAOYSA-N;97.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99116;MM99116;C=C1CNC(C)=N1;LSIRKAYWVUDTPI-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99117;MM99117;Cc1[nH]c(=NN)n(O)c1F;ZKLRQGBEKCIBEZ-UHFFFAOYSA-N;146.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99118;MM99118;Cc1c[nH]c(=N)[nH]1;BKRYFHAXBGUIOI-UHFFFAOYSA-N;97.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99119;MM99119;N=c1[nH]cc(N)[nH]1;DRLOWZIEXKEVNU-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99120;MM99120;N=c1[nH]cc(O)[nH]1;AEGRGDYHZFLAGY-UHFFFAOYSA-N;99.09;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99121;MM99121;N=c1[nH]cc(F)[nH]1;MCLDNVCAXQMWMH-UHFFFAOYSA-N;101.08;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99122;MM99122;Cc1c[nH]c(=O)[nH]1;MCSCIFLXNFLCDV-UHFFFAOYSA-N;98.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99123;MM99123;Nc1c[nH]c(=O)[nH]1;DXRCJLWBMRIZEQ-UHFFFAOYSA-N;99.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99124;MM99124;Cc1c(O)[nH]n(C)c1=NO;NTLJKIJQRRZOGZ-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99125;MM99125;Cc1coc(=N)[nH]1;VCZJVXLWQTXSPQ-UHFFFAOYSA-N;98.11;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99126;MM99126;N=c1[nH]c(N)co1;OQWMNEVFNLKGMJ-UHFFFAOYSA-N;99.09;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99127;MM99127;Cc1c(O)n(N)n(O)c1=O;HFUUZIQUFKPOIR-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99128;MM99128;Cc1coc(=O)[nH]1;HUTNXAYRNHOZHL-UHFFFAOYSA-N;99.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99129;MM99129;Nc1coc(=O)[nH]1;HGBRBTBMLVMYPC-UHFFFAOYSA-N;100.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99130;MM99130;C=Nn1cnc(O)n1;GOOCFOJFDSIUEG-UHFFFAOYSA-N;112.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99131;MM99131;CC=Nn1cnc(O)n1;VUMHOECTEWWCIC-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99132;MM99132;NN=c1[nH]n(N)c(=NN)o1;SKYHCXIXCUUGDP-UHFFFAOYSA-N;145.13;-3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99133;MM99133;CNc1nn(C)c(=O)n1O;ZIHBXLDMIVWONG-UHFFFAOYSA-N;144.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99134;MM99134;Cn1c(N)c(O)c(=O)n1O;YCAJKPKQSDBSJH-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99135;MM99135;C=C1CC=C(C)O1;RFINMTWYQDWLMZ-UHFFFAOYSA-N;96.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99136;MM99136;CC1=CCC(=O)O1;QOTQFLOTGBBMEX-UHFFFAOYSA-N;98.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99137;MM99137;Cc1c[nH]c(=N)o1;DYYFCNDEROYKKJ-UHFFFAOYSA-N;98.11;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99138;MM99138;N=c1[nH]cc(N)o1;PJCGPTKFLDZUQC-UHFFFAOYSA-N;99.09;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99139;MM99139;Cc1c[nH]c(=O)o1;QXOLMGWWCMLVEF-UHFFFAOYSA-N;99.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99140;MM99140;Nc1c[nH]c(=O)o1;YBUIHMVPBVXLGF-UHFFFAOYSA-N;100.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99141;MM99141;C=Cc1cn(O)n(O)c1=O;DHNPMPICICJVDG-UHFFFAOYSA-N;142.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99142;MM99142;CONC(=O)C(CO)CO;NSGMRORZYIHBOH-UHFFFAOYSA-N;149.15;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99143;MM99143;COc1occ(O)c1N;DPYHLGJYAPPQJW-UHFFFAOYSA-N;129.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99144;MM99144;Cn1cnc(=NO)[nH]c1=O;QQDKKLLNSLWCPZ-UHFFFAOYSA-N;142.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99145;MM99145;O=c1[nH]nc(F)o1;WJIDGBJNNWDYBL-UHFFFAOYSA-N;104.04;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99146;MM99146;CC1=CC=C(C)C1;PBCAWBWOXBDOMC-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99147;MM99147;CC1=CC=C(F)C1;ZRURVCRONGZVOD-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99148;MM99148;FC1=CC=C(F)C1;KFYGHXABFGBTNR-UHFFFAOYSA-N;102.08;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99149;MM99149;CC1=NN=C(C)C1;CPPSQIXSRHXMNX-UHFFFAOYSA-N;96.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99150;MM99150;Cc1ccc(C)[nH]1;PAPNRQCYSFBWDI-UHFFFAOYSA-N;95.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99151;MM99151;O=CC(=NO)NNC1CC1;VAMSSBWEEYZSHE-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99152;MM99152;Cc1ccc(O)[nH]1;KUUBYKHMELOXAV-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99153;MM99153;Cc1ccc(F)[nH]1;YALNGMQJSMWTAR-UHFFFAOYSA-N;99.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99154;MM99154;N=CNc1c[nH]c(O)n1;XCUXLEJQZJOPTD-UHFFFAOYSA-N;126.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99155;MM99155;N=CN(O)C(C=O)C=O;ULHOPMPVACSYIJ-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99156;MM99156;Oc1ccc(O)[nH]1;RDUFWJSALXDELV-UHFFFAOYSA-N;99.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99157;MM99157;Oc1ccc(F)[nH]1;JBXCADBWCDCUIV-UHFFFAOYSA-N;101.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99158;MM99158;Fc1ccc(F)[nH]1;WIYDXQXZMOYTEK-UHFFFAOYSA-N;103.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99159;MM99159;Cc1cnc(N)[nH]1;BKRYFHAXBGUIOI-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99160;MM99160;N#CC(O)(C#N)CC1CN1;AEJQEGXPNULBNG-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99161;MM99161;Nc1cnc(N)[nH]1;DRLOWZIEXKEVNU-UHFFFAOYSA-N;98.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99162;MM99162;Cn1cc(O)n(C)c1=NO;QUPYXCPRXXCSRX-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99163;MM99163;NNC(=O)CNCC=NO;DOUWJPFTSGQKKB-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99164;MM99164;N=c1c(N)c(O)n(N)n1O;PQGPAGYZGOLYJQ-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99165;MM99165;N=CN(C=N)C(CN)=NO;WMHSIPHZEYGTSA-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99166;MM99166;Nc1cn(O)n(O)c1=O;DDKAUIAKCKMIPD-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99167;MM99167;CC(=NO)C1NC1C;KXJYJEOFNCFNHF-UHFFFAOYSA-N;114.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99168;MM99168;Cc1c(F)nn(C)c1O;PRLIWKZNVDLZCQ-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99169;MM99169;C=Cc1nnc(N)[nH]c1=O;DSUJTLXAWZLHQP-UHFFFAOYSA-N;138.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99170;MM99170;Cc1ccc(C)o1;GSNUFIFRDBKVIE-UHFFFAOYSA-N;96.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99171;MM99171;Cc1ccc(N)o1;CEYZMDTUSWMVCO-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99172;MM99172;Cc1ccc(F)o1;WUQGISYDPUNAEN-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99173;MM99173;Nc1ccc(N)o1;NVZNGYCCCKYKAM-UHFFFAOYSA-N;98.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99174;MM99174;Nc1ccc(O)o1;XJVVCPMABKMBOS-UHFFFAOYSA-N;99.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99175;MM99175;Nc1ccc(F)o1;RORYSEBEHGISRF-UHFFFAOYSA-N;101.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99176;MM99176;OCC#CC(O)C=NO;UTAWNZXAGGBYJG-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99177;MM99177;Fc1ccc(F)o1;MUEKPPVSPLGVRJ-UHFFFAOYSA-N;104.06;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99178;MM99178;Cc1cnc(C)o1;NSAUQTCATRWAJC-UHFFFAOYSA-N;97.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99179;MM99179;CC(=NO)C(C=NN)=NN;WFVIZDVJKCWCGI-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99180;MM99180;Cc1cnc(F)o1;GTDHENIUKSUBCW-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99181;MM99181;Nc1[nH]c(=NO)n(N)c1O;GQGPKEAYQSVAHD-UHFFFAOYSA-N;145.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99182;MM99182;NN=c1cc(O)ccn1O;NZHUPYYGFAYNQG-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99183;MM99183;Nc1cnc(O)o1;YBUIHMVPBVXLGF-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99184;MM99184;Nc1cnc(F)o1;GKWLKRVQCZESEV-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99185;MM99185;Nn1nc(O)nc1O;RFUUOGMETNERHK-UHFFFAOYSA-N;116.08;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99186;MM99186;CC(C)c1cc(O)n[nH]1;YXJMHLUZYAZADZ-UHFFFAOYSA-N;126.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99187;MM99187;NN=c1[nH]c(=O)n(N)[nH]1;TYKZZGBXJWZJFP-UHFFFAOYSA-N;130.11;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP5";;;;;;;-3.09;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99188;MM99188;Cc1nc(=NO)o[nH]1;IXTPDPRSQDVOQO-UHFFFAOYSA-N;115.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99189;MM99189;Cc1ncc(F)o1;SZTMNNVUOZYEDG-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99190;MM99190;NNC(C=NOC=O)=NO;PHLIRLGPTRCWCO-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99191;MM99191;Fc1cnc(F)o1;XSXRXEFMXWHWME-UHFFFAOYSA-N;105.04;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99192;MM99192;Cc1nnc(C)o1;YVDWFZIVIIKYBQ-UHFFFAOYSA-N;98.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99193;MM99193;Cc1nnc(N)o1;XPXWYVCQCNFIIJ-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99194;MM99194;CC(F)C(F)(F)C(=O)NN;HGHRZNLFZKWRSF-UHFFFAOYSA-N;156.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99195;MM99195;Cc1nnc(F)o1;NBDKFCRBXDTGIK-UHFFFAOYSA-N;102.07;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99196;MM99196;Nc1nnc(N)o1;YTCGLFCOUJIOQH-UHFFFAOYSA-N;100.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99197;MM99197;NN=c1c(O)c(O)on1N;NQSCTZLPDONBFF-UHFFFAOYSA-N;146.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99198;MM99198;Nc1nnc(F)o1;AQMNBZSXRXOSNP-UHFFFAOYSA-N;103.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99199;MM99199;O=CC#CC(C=O)C=O;GEYLNRZKHHEXTN-UHFFFAOYSA-N;124.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99200;MM99200;Cc1[nH]c(=O)n(O)c1O;VWEBUNCIXCCQAH-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99201;MM99201;Fc1nnc(F)o1;LENZTBBFMLGWKO-UHFFFAOYSA-N;106.03;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99202;MM99202;CC1=CC(C)CC1;QIIAONVJAUZQQR-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99203;MM99203;CC1C=C(F)CC1;CPVZONVALFKKIX-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99204;MM99204;CC1=CC(N)CC1;VKMNERQQZMQJJE-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99205;MM99205;NC1C=C(F)CC1;ATKXHNMTAYPYGJ-UHFFFAOYSA-N;101.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99206;MM99206;Cn1nnc(=NO)[nH]c1=N;JZEAIKGOVDJYNX-UHFFFAOYSA-N;142.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99207;MM99207;OC1C=C(F)CC1;IZUXEGWXTWCQQQ-UHFFFAOYSA-N;102.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99208;MM99208;CC1=CC(F)CC1;BACXLXOMUFUGEN-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99209;MM99209;FC1=CC(F)CC1;ALDXITBAJNETCV-UHFFFAOYSA-N;104.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99210;MM99210;CC1=CC(C)CO1;MFVDAYWNDGNJRQ-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99211;MM99211;CC1=CC(N)CO1;XNNOQGLJAMXAID-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99212;MM99212;CC1=CC(O)CO1;GIDSOQPSXYHUCE-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99213;MM99213;CC1=CC(F)CO1;GFNZMCDWKLIKDH-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99214;MM99214;CC1=CC(C)NC1;ULVRBUDAGCXWFV-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99215;MM99215;CC1C=C(F)CN1;ZVLBSWSCCSHEHP-UHFFFAOYSA-N;101.12;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99216;MM99216;CC1=CC(C)OC1;OFILOAAQNHQTGT-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99217;MM99217;CC1C=C(F)CO1;AQQARZRGDQOATM-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99218;MM99218;CC1=NN(C)CC1;DGBRXSKBFRWWNT-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99219;MM99219;C=C1C=C(C)CC1;AXAKSALGYLHGCF-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99220;MM99220;C=C1C=C(F)CC1;OAMPRWWYUYDAPI-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99221;MM99221;CC1=CC(=O)CC1;CHCCBPDEADMNCI-UHFFFAOYSA-N;96.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99222;MM99222;NC1=CC(=O)CC1;LSROXAYPMFICCA-UHFFFAOYSA-N;97.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99223;MM99223;O=C1C=C(F)CC1;FDDKRDKQTZMQQZ-UHFFFAOYSA-N;100.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99224;MM99224;Cc1cc(O)c[nH]1;HTKRVHLLNFXULM-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99225;MM99225;Nc1cc(O)c[nH]1;JRSUDNVFYQNBFB-UHFFFAOYSA-N;98.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99226;MM99226;C=C1C=C(C)OC1;JBCPKSXSIMCUSN-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99227;MM99227;CC1=CC(=N)NC1;BUFCWHZFZLXULX-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99228;MM99228;N=C1C=C(N)CN1;GABWOOSOGKJPRG-UHFFFAOYSA-N;97.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99229;MM99229;N=C1C=C(F)CN1;AEHBPRODYOVHCE-UHFFFAOYSA-N;100.1;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99230;MM99230;CC1=CC(=O)NC1;VYLNLZWPJSQGRC-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99231;MM99231;NC1=CC(=O)NC1;WSVFLHWICQUZBZ-UHFFFAOYSA-N;98.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99232;MM99232;CC#Cc1c[nH]c(=NO)[nH]1;AVQLWTSRKGWXJR-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99233;MM99233;C#Cc1n[nH]c(NC=N)n1;DBRHVTWZVDUKFW-UHFFFAOYSA-N;135.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99234;MM99234;Cn1c(F)c(O)ncc1=O;NSXZSUUZMZOIPK-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99235;MM99235;C#Cc1cn(C)c(=NO)[nH]1;RMYLLINEWGILGQ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99236;MM99236;Nc1cc(=O)[nH][nH]1;QZBGOTVBHYKUDS-UHFFFAOYSA-N;99.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99237;MM99237;Nc1o[nH]c2cc(=O)oc1-2;KVTKFOLJHUUUIG-UHFFFAOYSA-N;140.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99238;MM99238;Cn1c(N)c(O)n(O)c1=O;RPQONXINJPRMNV-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99239;MM99239;CNc1cc(=NO)n(C)[nH]1;QBFBHJROGFTQEE-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99240;MM99240;C#Cc1c[nH]c(=NO)n1C;FSOMSDFOCRAYEF-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99241;MM99241;O=c1nc[nH]nc1CCF;JQGNGEZHCINLEM-UHFFFAOYSA-N;143.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99242;MM99242;C=NNCC(C=CN)=NO;IKTBRIYPYNQYCL-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99243;MM99243;Oc1cn(O)c(O)c1F;JEYFCOUFALWGID-UHFFFAOYSA-N;133.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99244;MM99244;CC1C(=O)NOC1C#N;GGCLPQVIUOMPPG-UHFFFAOYSA-N;126.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99245;MM99245;COC1CC(C=O)C1=O;SNEWMEXGJWDCQL-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99246;MM99246;NC(=O)OC(C=O)=NO;BWAWYLXEGUSBHJ-UHFFFAOYSA-N;132.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99247;MM99247;C=C1C=C(C)CO1;OASKIKIQUYZVRO-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99248;MM99248;C=C1C=C(F)CO1;VPRWBTMFBFYVSO-UHFFFAOYSA-N;100.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99249;MM99249;NC1=CC(=O)OC1;SABBJFPNIAIRGR-UHFFFAOYSA-N;99.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99250;MM99250;Nc1cc(=O)o[nH]1;VLWRGZGTVKQLSA-UHFFFAOYSA-N;100.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99251;MM99251;O=COC(C=O)=NO;KSPDLBJRUFCSEB-UHFFFAOYSA-N;117.06;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99252;MM99252;Cc1c(C)n(O)n(O)c1=O;JYCCANSZPVHZQU-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99253;MM99253;N=c1nc(N)[nH]o1;QAWFQBQRCNCLFY-UHFFFAOYSA-N;100.08;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99254;MM99254;C=Cc1cc(=O)n(O)n1O;UNPSXXVLPLPBCC-UHFFFAOYSA-N;142.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99255;MM99255;Nc1nc(=O)o[nH]1;NSJWCGRUQOIQQH-UHFFFAOYSA-N;101.07;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99256;MM99256;O=c1onnc(CO)c1O;ATDSYPQLKXTVQG-UHFFFAOYSA-N;144.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99257;MM99257;CC1=CC(C)C=C1;JSBBIRXJYAOZQO-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99258;MM99258;CC1C=CC(F)=C1;XHIBIEOOYZHGRY-UHFFFAOYSA-N;98.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99259;MM99259;CC1=CC(N)C=C1;MKWYSXBWLWYDLV-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99260;MM99260;NC1C=CC(F)=C1;GQPZHOQLJMVUNR-UHFFFAOYSA-N;99.11;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99261;MM99261;CC1=CC(O)C=C1;IQCHSGZLVMFYAT-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99262;MM99262;OC1C=CC(F)=C1;QXTUYDXZNXLJHW-UHFFFAOYSA-N;100.09;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99263;MM99263;CC1=CC(F)C=C1;NUWSQPOKKYXXDU-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99264;MM99264;FC1=CC(F)C=C1;ZPPRXKIPPBYQJF-UHFFFAOYSA-N;102.08;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99265;MM99265;Cc1ccn(C)c1;CTWQGTOWGFCWNW-UHFFFAOYSA-N;95.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99266;MM99266;Cn1ccc(N)c1;GDQSDZRZHLAVCU-UHFFFAOYSA-N;96.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99267;MM99267;Cn1ccc(F)c1;AVFZRMJJOLOUJL-UHFFFAOYSA-N;99.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99268;MM99268;Cc1ccn(N)c1;IFEXEVPFINMYJV-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99269;MM99269;Nc1ccn(N)c1;RVNUPDABYQVJKK-UHFFFAOYSA-N;97.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99270;MM99270;Nn1ccc(F)c1;BSAVGNQPKNLXJN-UHFFFAOYSA-N;100.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99271;MM99271;Cc1ccn(O)c1;XIYNBJAVIZJASE-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99272;MM99272;Nc1ccn(O)c1;YXZMAENBYDIVOA-UHFFFAOYSA-N;98.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99273;MM99273;On1ccc(F)c1;ATWBGWKPTNLENI-UHFFFAOYSA-N;101.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99274;MM99274;Cn1cnc(O)c1;XOHYKCNIZVUEGX-UHFFFAOYSA-N;98.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99275;MM99275;Cn1cnc(F)c1;GDIUDGHNTMUWOM-UHFFFAOYSA-N;100.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99276;MM99276;Cc1cn(N)cn1;XECPOGKXLOIILJ-UHFFFAOYSA-N;97.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99277;MM99277;Nc1cn(N)cn1;HNVHJATUWREDAZ-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99278;MM99278;Nn1cnc(O)c1;UUGVWBLGTQLNED-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99279;MM99279;Nn1cnc(F)c1;KQHIZPMOBAXBMT-UHFFFAOYSA-N;101.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99280;MM99280;Cn1cnc(=NO)c(N)c1;ZHNIPHRRGLIMQP-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99281;MM99281;CN(CC=O)CC=NO;NEMAOHYQHWMAHP-UHFFFAOYSA-N;130.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99282;MM99282;Oc1cn(O)cn1;QZMLIORWLRAADR-UHFFFAOYSA-N;100.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99283;MM99283;On1cnc(F)c1;LJFHOHANPGLNKW-UHFFFAOYSA-N;102.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99284;MM99284;Cc1cnn(C)c1;SZQCPPRPWDXLMM-UHFFFAOYSA-N;96.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99285;MM99285;Cn1cc(N)cn1;LBGSWBJURUFGLR-UHFFFAOYSA-N;97.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99286;MM99286;Cn1cc(F)cn1;FSOOSGIZMQWMPQ-UHFFFAOYSA-N;100.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99287;MM99287;Cc1cnn(N)c1;LHSIGJLMFSGRMV-UHFFFAOYSA-N;97.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99288;MM99288;Nc1cnn(N)c1;WHVWFMDMLIEDSS-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99289;MM99289;O=c1cc(CO)n(O)n1O;GJNPXGDELUDNLN-UHFFFAOYSA-N;146.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99290;MM99290;Nn1cc(F)cn1;SCGOOSGNGRXRAI-UHFFFAOYSA-N;101.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99291;MM99291;Cc1cnn(O)c1;YIEVKVHTGDTLLF-UHFFFAOYSA-N;98.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99292;MM99292;Nc1cnn(O)c1;SFHUHCITYRSRPC-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99293;MM99293;C#CC#Cc1coc(O)c1;MHXHBAQZIVXVFP-UHFFFAOYSA-N;132.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99294;MM99294;Cc1cn(C)nn1;OJAWOLWHEQUTDE-UHFFFAOYSA-N;97.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99295;MM99295;COC1=NNC(=O)C1N;VUNUAZUVBVEXKZ-UHFFFAOYSA-N;129.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99296;MM99296;COc1occ(F)c1O;QOVKYJNIYSJTHQ-UHFFFAOYSA-N;132.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99297;MM99297;Cn1cc(F)nn1;AGZQCGRSSZVFKB-UHFFFAOYSA-N;101.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99298;MM99298;Cc1cn(N)nn1;PSTGSSGTRNEEBA-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99299;MM99299;N=CN=c1o[nH]c(=N)n1O;VSMWRQZZOOPURU-UHFFFAOYSA-N;143.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99300;MM99300;O=CNC(=O)C(CO)=NO;RSRWNKBYMGVXPJ-UHFFFAOYSA-N;146.1;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99301;MM99301;Nn1cc(F)nn1;RKXPIRKIOGTBFC-UHFFFAOYSA-N;102.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99302;MM99302;Nc1cn(O)nn1;GWINKWWEORLTIQ-UHFFFAOYSA-N;100.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99303;MM99303;O=c1onc(C=NO)o1;VITQCYAUBHXHLE-UHFFFAOYSA-N;130.06;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99304;MM99304;Cc1ccn(C)n1;NODLZCJDRXTSJO-UHFFFAOYSA-N;96.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99305;MM99305;Cn1ccc(F)n1;AYEPFBZMLHFDRM-UHFFFAOYSA-N;100.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99306;MM99306;Cc1ccn(N)n1;SVGJUNALRCQUHC-UHFFFAOYSA-N;97.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99307;MM99307;Nn1ccc(F)n1;VAGOISKPEGXQMO-UHFFFAOYSA-N;101.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99308;MM99308;Cc1ccn(O)n1;ZQAMKHFYSRHCHH-UHFFFAOYSA-N;98.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99309;MM99309;On1ccc(F)n1;KMWDZEDHLLOYPY-UHFFFAOYSA-N;102.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99310;MM99310;Cc1ncn(C)n1;ONIFNICATWBCHW-UHFFFAOYSA-N;97.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99311;MM99311;C=CCC1NC1C(C)=NO;JJSKYWRQMRYXNF-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99312;MM99312;Cc1ncn(N)n1;XLENINIQZYRKOS-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99313;MM99313;CN=c1o[nH]c(=N)n1OC;UUXZMPURNVMYDM-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99314;MM99314;CNc1cn(O)n(O)c1=O;UPSXSJQKGPTCJB-UHFFFAOYSA-N;145.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99315;MM99315;Cc1cnn(C)n1;JLQCMGFETTYXSU-UHFFFAOYSA-N;97.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99316;MM99316;Cn1ncc(F)n1;WCAOVWQUQQACHM-UHFFFAOYSA-N;101.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99317;MM99317;Cc1nnn(C)n1;HVRBCXZGTURXBT-UHFFFAOYSA-N;98.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99318;MM99318;Cn1nnc(N)n1;AZUKLCJYWVMPML-UHFFFAOYSA-N;99.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99319;MM99319;N#CC(C#N)C(O)C=NO;PVGPJHCAIKNVAL-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99320;MM99320;C=C1C=CC(C)=C1;CTMHBJHUYNMLIZ-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99321;MM99321;C=C1C=CC(F)=C1;FIYOEXNDDOECMX-UHFFFAOYSA-N;96.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99322;MM99322;CC1=CC(=O)C=C1;DZCRROIHVAHXDE-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99323;MM99323;NC1=CC(=O)C=C1;DGACEUQKRYZBOL-UHFFFAOYSA-N;95.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99324;MM99324;O=C1C=CC(F)=C1;OUTHJGFFVJFCTI-UHFFFAOYSA-N;98.08;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99325;MM99325;CC1=CC(=O)C=N1;FIEWFVPXGTVWCI-UHFFFAOYSA-N;95.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99326;MM99326;COn1c(=N)[nH]oc1=N;NDXNHTPYIVIPKL-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99327;MM99327;N=C1C=C(N)C=N1;PNULCKSFVYMWIF-UHFFFAOYSA-N;95.11;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99328;MM99328;N=C1C=C(F)C=N1;MIKKUYKNNQRTQH-UHFFFAOYSA-N;98.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99329;MM99329;CC1=CC(=O)N=C1;XUUYAAAYPXHVGP-UHFFFAOYSA-N;95.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99330;MM99330;CONC(=O)NN=CNN;MOHRFZJMYHKOJZ-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99331;MM99331;O=C1C=C(F)C=N1;OXPISTWDKCGSPV-UHFFFAOYSA-N;99.06;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99332;MM99332;CC1=NC(=O)C=C1;KJXZQCRWVYENLJ-UHFFFAOYSA-N;95.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99333;MM99333;CC1=NC(=N)C=N1;LOCVURLKZYEJHW-UHFFFAOYSA-N;95.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99334;MM99334;CC1=NC(=O)C=N1;TUYLBWPJHXNJBM-UHFFFAOYSA-N;96.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99335;MM99335;CC1=NC(=N)N=C1;XKIGFZWLQRKEAE-UHFFFAOYSA-N;95.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99336;MM99336;CC1=NC(=O)N=C1;JMVQFRFKXOIRBI-UHFFFAOYSA-N;96.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99337;MM99337;CC1=CCC(C)=C1;YPEOCTSXLWIZSO-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99338;MM99338;CC1=CCC(F)=C1;KTIJBMZLSMWHTN-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99339;MM99339;CC1=CC(F)=CC1;AUXSHUJMXMAQFM-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99340;MM99340;FC1=CCC(F)=C1;BHKACAFCQMMVDU-UHFFFAOYSA-N;102.08;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99341;MM99341;Cc1c[nH]c(C)c1;MFFMQGGZCLEMCI-UHFFFAOYSA-N;95.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99342;MM99342;Cn1oc(=NO)c(=N)n1N;UNGXGKKPJQKXNF-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99343;MM99343;Cc1c[nH]c(O)c1;VWSIKLGQLQXNIX-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99344;MM99344;Cc1c[nH]c(F)c1;VKEONSQEAOHBPA-UHFFFAOYSA-N;99.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99345;MM99345;Nc1nnnc(=NO)n1N;DDQBUWXEAHLRIB-UHFFFAOYSA-N;143.11;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99346;MM99346;CC(C(C#N)C#N)C1CN1;FUXLZAVUDOKXPZ-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99347;MM99347;Nc1c[nH]c(O)c1;AKWKYAFLMRSGPL-UHFFFAOYSA-N;98.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99348;MM99348;CCC1NC1C(C)=NO;YGUMSPUDOSXKGJ-UHFFFAOYSA-N;128.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99349;MM99349;Oc1c[nH]c(O)c1;APDAFIKLBAXHBX-UHFFFAOYSA-N;99.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99350;MM99350;Oc1c[nH]c(F)c1;CNGQHSPHBYZJRF-UHFFFAOYSA-N;101.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99351;MM99351;Cc1cc(F)c[nH]1;LFMUZQCFITZUGN-UHFFFAOYSA-N;99.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99352;MM99352;CCCN(C)C(C=O)C=O;RPBXOZZIMDPDGC-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99353;MM99353;Fc1c[nH]c(F)c1;PSDVLAUZPUINKJ-UHFFFAOYSA-N;103.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99354;MM99354;Cc1coc(C)c1;AABTWRKUKUPMJG-UHFFFAOYSA-N;96.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99355;MM99355;Cc1coc(N)c1;KGKCUILZYSJDRF-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99356;MM99356;Cc1coc(F)c1;AXMPSARLRUVMLB-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99357;MM99357;Cc1cc(N)co1;YHNKZAGCKQHDQN-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99358;MM99358;Nc1coc(N)c1;AQDFPUZBJVIHCR-UHFFFAOYSA-N;98.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99359;MM99359;Nc1coc(F)c1;NTVPWNSPPGBPHD-UHFFFAOYSA-N;101.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99360;MM99360;C=Nn1c(=O)cn[nH]c1=N;ITVFQAIAIMONOP-UHFFFAOYSA-N;139.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99361;MM99361;Cc1cc(F)co1;KHNRWUPHXAGVKD-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99362;MM99362;Nc1cc(F)co1;JQEOZSNBRKUXOW-UHFFFAOYSA-N;101.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99363;MM99363;N#CC(C=NO)NNC=O;BLDOTPPTJXIBLQ-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99364;MM99364;Fc1coc(F)c1;ZCRXHMBVIKGRTA-UHFFFAOYSA-N;104.06;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99365;MM99365;N=c1c(=NO)ccon1O;QAPOBWTVWOKEGG-UHFFFAOYSA-N;143.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99366;MM99366;C=NNc1cc(O)c[nH]1;PRYIFAUSYCFCPG-UHFFFAOYSA-N;125.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99367;MM99367;Cc1cc(F)n[nH]1;WAHNHCJQPBCRLP-UHFFFAOYSA-N;100.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99368;MM99368;CC(CC(=NO)NN)=NO;HLWCGTPUEHRMRX-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99369;MM99369;Cn1cnc(=O)[nH]c1=NO;YQGISGYIJDSXDY-UHFFFAOYSA-N;142.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99370;MM99370;Cc1cc(C)on1;FICAQKBMCKEFDI-UHFFFAOYSA-N;97.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99371;MM99371;Cc1cc(=N)o[nH]1;VBIGWAYKRXLWPX-UHFFFAOYSA-N;98.11;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99372;MM99372;O=Cn1cnc(C=CO)c1;BQWFCTGWNKCHCH-UHFFFAOYSA-N;138.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99373;MM99373;Cc1cc(F)on1;SAZZIKRLGWIZSD-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99374;MM99374;Cc1cc(F)no1;INZBLFXHZZDMPN-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99375;MM99375;Nc1cc(F)no1;LBJCUNFNPNWNTQ-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99376;MM99376;Nn1[nH]cc(CO)c1=O;AOHIWVKMOKKRRJ-UHFFFAOYSA-N;129.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99377;MM99377;Fc1cc(F)on1;PHMOXNAUIUJUQT-UHFFFAOYSA-N;105.04;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99378;MM99378;Cc1c[nH]c(N)n1;BKRYFHAXBGUIOI-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99379;MM99379;Cc1c[nH]c(O)n1;MCSCIFLXNFLCDV-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99380;MM99380;Nc1c[nH]c(N)n1;DRLOWZIEXKEVNU-UHFFFAOYSA-N;98.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99381;MM99381;Nc1c[nH]c(O)n1;DXRCJLWBMRIZEQ-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99382;MM99382;Cc1nc(O)c[nH]1;RRTJBIJAUFOAGW-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99383;MM99383;C#CCC(=NO)C(C)=CN;ONICFBIRZAGEKT-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99384;MM99384;Oc1c[nH]c(O)n1;SHFCYMWGNNAKEL-UHFFFAOYSA-N;100.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99385;MM99385;Nc1cc(=NO)n(N)n1N;YKCINGSZRFMFCZ-UHFFFAOYSA-N;144.14;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99386;MM99386;Oc1nc(F)c[nH]1;QMVHZBMRMFHKKJ-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99387;MM99387;Cc1coc(C)n1;PSOZJOZKEVZLKZ-UHFFFAOYSA-N;97.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99388;MM99388;CN1N=C(C#N)CC1=N;YHRTXZMMFCPIIH-UHFFFAOYSA-N;122.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99389;MM99389;Cc1coc(F)n1;FKGAFUSJVAXRGN-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99390;MM99390;N=c1nc(N)cn[nH]c1=O;QJRURVMOKAKUNN-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99391;MM99391;N#CC1=NNC(=N)C1;IKEURSPZNSRIEG-UHFFFAOYSA-N;108.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99392;MM99392;Nc1coc(F)n1;PWAMWOGKWITZPF-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99393;MM99393;Nc1nc(O)co1;JVZHDEANCDIUFQ-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99394;MM99394;Cc1nc(F)co1;BBXCCBWRTWCHCI-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99395;MM99395;Nc1nc(F)co1;FNYUQJUTOXMKDI-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99396;MM99396;COC(=NO)C(O)C=NN;LIXOSNQPXCSHKM-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99397;MM99397;Fc1coc(F)n1;OAFJWDRZJOXBRU-UHFFFAOYSA-N;105.04;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99398;MM99398;N=C1CN=C(N)N1;YDFBQVJHKBPPCX-UHFFFAOYSA-N;98.11;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99399;MM99399;Cc1c(O)nc(N)n1N;UVTIDYIWQCPFSV-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99400;MM99400;C=Cc1c[nH]n(C=C)c1=O;AEDVIIPQGWSEFO-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99401;MM99401;CCN(N)C=NC(C)=NO;PSACIVOTPQWERF-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99402;MM99402;O=CC1CC(O)C1=O;QYSFLRJJICTEAS-UHFFFAOYSA-N;114.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99403;MM99403;COc1nc(=O)onc1O;JOSYRNOSCTYJAQ-UHFFFAOYSA-N;144.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99404;MM99404;Cc1noc(C)n1;HNJOAIYFUCQZAA-UHFFFAOYSA-N;98.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99405;MM99405;Cc1noc(N)n1;LGNNZKURGCOEJY-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99406;MM99406;C#Cc1occ(O)c1N;SRKBERSPLYDOAU-UHFFFAOYSA-N;123.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99407;MM99407;Cc1noc(F)n1;BTOKQQBUTKTEHS-UHFFFAOYSA-N;102.07;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99408;MM99408;Cc1nc(N)no1;JEEUSAKCHSWJKO-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99409;MM99409;Nc1noc(N)n1;QAWFQBQRCNCLFY-UHFFFAOYSA-N;100.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99410;MM99410;N#CCC(=NO)OC=CF;HOKVDOBXCROUBB-UHFFFAOYSA-N;144.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99411;MM99411;Nc1noc(F)n1;ONHVNMFGRPMJJK-UHFFFAOYSA-N;103.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99412;MM99412;Cc1c(N)c(=O)n(O)n1O;DEWIEBIMILORRT-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99413;MM99413;COCCCC(C#N)=NO;QFVGNWRSBXRBBX-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99414;MM99414;CCC(C)C(C#N)=NO;CSIJTZNWIKUUIB-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99415;MM99415;C=CC(C=O)C(C=O)=NO;SUAJUGXRSJUADU-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99416;MM99416;CC12CCC(C1)C2;NISUHHYONKHGLT-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99417;MM99417;NC12CCC(C1)C2;LJSGYBIBMRMMTK-UHFFFAOYSA-N;97.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99418;MM99418;NC=CC(N=CNN)=NO;ZJYFTQRATPECJK-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99419;MM99419;FC12CCC(C1)C2;KJVJZDUOUUCYQS-UHFFFAOYSA-N;100.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99420;MM99420;NC12COC(C1)C2;DSSBJDATWRZQHE-UHFFFAOYSA-N;99.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99421;MM99421;OC12COC(C1)C2;YHZKPUMVIOZUTH-UHFFFAOYSA-N;100.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99422;MM99422;FC12COC(C1)C2;HVPZUDJXLCOPEV-UHFFFAOYSA-N;102.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99423;MM99423;CC12CCC(C1)N2;BMIDSBXEOCNHHE-UHFFFAOYSA-N;97.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99424;MM99424;CC12CCC(C1)O2;RLMSFXNMKGXNOO-UHFFFAOYSA-N;98.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99425;MM99425;CC12C=CC(C1)C2;CFCCTXPLZHCANG-UHFFFAOYSA-N;94.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99426;MM99426;NC12C=CC(C1)C2;KRPCNRNQUAMMHA-UHFFFAOYSA-N;95.15;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99427;MM99427;Cn1nc(N)nnc1=NO;CCPVJTINABQKDN-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99428;MM99428;FC12C=CC(C1)C2;WAIQECMYIOSVEO-UHFFFAOYSA-N;98.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99429;MM99429;CC12C=CC(C1)N2;DSYWOCFLTNHWCJ-UHFFFAOYSA-N;95.15;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99430;MM99430;CC12C=CC(C1)O2;SQKQVAIZXQPMIH-UHFFFAOYSA-N;96.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99431;MM99431;CCC1CC(C)C1;LVXHUQABWLTQND-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99432;MM99432;CC1CC(CN)C1;GSVPWASAUVYUBM-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99433;MM99433;N=c1[nH]oc(=N)n1O;QGEJGVTXBCNSAO-UHFFFAOYSA-N;116.08;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99434;MM99434;CC1CC(CF)C1;NHFKDEGTDXYPCH-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99435;MM99435;CCC1CC(N)C1;RDOBCMAOFYDWKB-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99436;MM99436;NCC1CC(N)C1;AIRDQBVEPGJBJY-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99437;MM99437;NC1CC(CO)C1;BMCBDSKJVXYMJF-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99438;MM99438;NC1CC(CF)C1;JTADMUVGLNJBPY-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99439;MM99439;CC(N=CNN(C)C)=NO;GPVKPMZRCYAJJZ-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99440;MM99440;NCC1CC(O)C1;KOAINJWHBAJGSO-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99441;MM99441;OCC1CC(O)C1;PJMLHATZVMHVHC-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99442;MM99442;OC1CC(CF)C1;SOVULJRLJUMRNC-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99443;MM99443;CCC1CC(F)C1;KUVNZGVZJAPROG-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99444;MM99444;NCC1CC(F)C1;NEDGZUPNRVBWQP-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99445;MM99445;OCC1CC(F)C1;FVQRBAHVLBOJNL-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99446;MM99446;FCC1CC(F)C1;LYBBJKRYLDTVIJ-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99447;MM99447;CNC1CC(C)C1;UGUBYDRVJOZWSK-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99448;MM99448;CNC1CC(N)C1;ZOSYCAUBWCYDEY-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99449;MM99449;CNC1CC(O)C1;DRLQGNZKHKBJFA-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99450;MM99450;CNC1CC(F)C1;NGRJCEMEWUUKFB-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99451;MM99451;COC1CC(C)C1;SNGMHLMHLWZZOA-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99452;MM99452;COC1CC(N)C1;CTZHBPUHGUPFSN-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99453;MM99453;COC1CC(O)C1;OSYROIVZPXZWOK-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99454;MM99454;COC1CC(F)C1;SDBBAVCDJMHQIU-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99455;MM99455;CCC1CC(C)N1;FESOBRSEKPPWQP-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99456;MM99456;CC1CC(CN)N1;DWGBLOBPEWRHIM-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99457;MM99457;CC1CC(CO)N1;SDCCGQQQBDNOTC-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99458;MM99458;CC1CC(CF)N1;BZDSFTQSSDLOIZ-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99459;MM99459;CCC1CC(C)O1;VYFPDWQFHMAQNZ-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99460;MM99460;CC1CC(CN)O1;KMBOPVRWLRNFOF-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99461;MM99461;CC1CC(CO)O1;DNWUWIWZCXMQQF-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99462;MM99462;CC1CC(CF)O1;GURPQNQXKZDELO-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99463;MM99463;CCC1CN(C)C1;VBCPKGBAQTYMFZ-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99464;MM99464;CN1CC(CN)C1;RUZMJWPHZFXDSD-UHFFFAOYSA-N;100.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99465;MM99465;CNC1CN(C)C1;YCNHOXDFQLCQEU-UHFFFAOYSA-N;100.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99466;MM99466;CCN1CC(C)C1;DUZUGIAXDBVLBS-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99467;MM99467;CCN1CC(N)C1;ONLNTZCAUWRAJD-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99468;MM99468;CCN1CC(F)C1;WNIHJYURAHTITD-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99469;MM99469;C=CC1CC(C)C1;QZAQJLQKYBGSTG-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99470;MM99470;CC1CC(C=O)C1;WSIKZXHZNUEYPX-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99471;MM99471;CC1CC(C#N)C1;STGAUXUDCXVZSP-UHFFFAOYSA-N;95.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99472;MM99472;C=CC1CC(N)C1;PRIDPASGEZLCMO-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99473;MM99473;C=C1C(=O)NC(=O)C1N;LLGKHRHJOJOEKS-UHFFFAOYSA-N;126.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99474;MM99474;O=CC1CC(O)C1;CPYZTZNKCGPDGD-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99475;MM99475;N#CC1CC(O)C1;MMJQJSQOTGZCHX-UHFFFAOYSA-N;97.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99476;MM99476;C=CC1CC(F)C1;CYTKUVKBDFHYHT-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99477;MM99477;O=CC1CC(F)C1;ZGGDFLZXBOFJBS-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99478;MM99478;N#CC1CC(F)C1;OIFZJLTVCXMCIE-UHFFFAOYSA-N;99.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99479;MM99479;C=CC1CC(C)N1;AURPFHIQAPZBJN-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99480;MM99480;CC1CC(C=O)N1;UAMILQVZWSEFTH-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99481;MM99481;CC1CC(C#N)N1;QQKZMZYYYBCWAU-UHFFFAOYSA-N;96.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99482;MM99482;C=CC1CC(C)O1;UWZLIBUUFWJHAY-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99483;MM99483;CC1CC(C=O)O1;NZETYMQHVVYOJJ-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99484;MM99484;CC1CC(C#N)O1;MSXQOLKHDOFOKL-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99485;MM99485;C=CC1CN(C)C1;IAGRTYOXBOKNDR-UHFFFAOYSA-N;97.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99486;MM99486;CN1CC(C#N)C1;QGDFRNUIIUDBGQ-UHFFFAOYSA-N;96.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99487;MM99487;CC1CN(C=N)C1;RKQURTIXHNVQLU-UHFFFAOYSA-N;98.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99488;MM99488;CC1CN(C=O)C1;JMSANEUJFLPJST-UHFFFAOYSA-N;99.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99489;MM99489;N=CN1CC(N)C1;KZSPGPKTYLWYAM-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99490;MM99490;NC1CN(C=O)C1;IQXUGZZWBKZVLF-UHFFFAOYSA-N;100.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99491;MM99491;N=CN1CC(O)C1;GZIOABNCUIPZCG-UHFFFAOYSA-N;100.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99492;MM99492;O=CN1CC(O)C1;BXLCENGNDVFRAZ-UHFFFAOYSA-N;101.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99493;MM99493;N=CN1CC(F)C1;KXSRKPBVZGJZCT-UHFFFAOYSA-N;102.11;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99494;MM99494;O=CN1CC(F)C1;MKZIIZYJPRYKMM-UHFFFAOYSA-N;103.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99495;MM99495;C=NN1CC(C)C1;XJWLQRAVUWVWOD-UHFFFAOYSA-N;98.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99496;MM99496;C=NN1CC(N)C1;BNVLJVGEBYNELV-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99497;MM99497;Nc1[nH]c(=NO)[nH]c1O;HCPBUUFIXURLOE-UHFFFAOYSA-N;130.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99498;MM99498;C=NN1CC(F)C1;KZYJYWKLZFVUAO-UHFFFAOYSA-N;102.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99499;MM99499;C#CC1CC(C)C1;QVNRSITUBCSPBF-UHFFFAOYSA-N;94.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99500;MM99500;C#CC1CC(N)C1;GLUARTMYGSYNED-UHFFFAOYSA-N;95.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99501;MM99501;N=CNc1ccn(O)n1;QLGLJPWEJSWBKB-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99502;MM99502;C#CC1CC(F)C1;PEQSIJPQSOAQFQ-UHFFFAOYSA-N;98.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99503;MM99503;C#CC1CC(C)N1;RFNBMADQTYVUTL-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99504;MM99504;C#CC1CC(C)O1;IZCQGJFEXTYISJ-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99505;MM99505;CCC1CC(=O)C1;SWSOFKZYSFBJSH-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99506;MM99506;O=C1CC(CO)C1;NPBDXRSQLIOUGJ-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99507;MM99507;O=C1CC(CF)C1;JFJKSGPEXHPCNC-UHFFFAOYSA-N;102.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99508;MM99508;CNC1CC(=O)C1;UQOQQYZOTKUJBP-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99509;MM99509;COC1CC(=O)C1;LZKSSLYIICHJEO-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99510;MM99510;CCC1CC(=O)N1;JJACJGZWFBTPLA-UHFFFAOYSA-N;99.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99511;MM99511;NCC1CC(=O)N1;UFWIEBMUQXPBCX-UHFFFAOYSA-N;100.12;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99512;MM99512;O=C1CC(CO)N1;YTUSUDPOSFRAEO-UHFFFAOYSA-N;101.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99513;MM99513;O=C1CC(CF)N1;ZACYWSWFHQXKPR-UHFFFAOYSA-N;103.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99514;MM99514;CCC1CC(=O)O1;QTWLQDVFHKLZRA-UHFFFAOYSA-N;100.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99515;MM99515;NCC1CC(=O)O1;PDKDBJKZGCQBDV-UHFFFAOYSA-N;101.11;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99516;MM99516;O=C1CC(CO)O1;YHBJSDKCANOOIN-UHFFFAOYSA-N;102.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99517;MM99517;O=C1CC(CF)O1;SHDYJQKLELKRJZ-UHFFFAOYSA-N;104.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99518;MM99518;Cn1c(=NO)ccn1N;BULQVNVCIQZDBR-UHFFFAOYSA-N;128.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99519;MM99519;C=CC1CC(=O)C1;MLVLWEMNALQEEK-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99520;MM99520;O=CC1CC(=O)C1;XYLHGAVNKSVSJY-UHFFFAOYSA-N;98.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99521;MM99521;N#CC1CC(=O)C1;MSAGLWTVMUDVDT-UHFFFAOYSA-N;95.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99522;MM99522;C=CC1CC(=O)N1;ZEWHMWFASYXCAO-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99523;MM99523;O=CC1CC(=O)N1;KQLYGALWBRSYQB-UHFFFAOYSA-N;99.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99524;MM99524;N#CC1CC(=O)N1;WUAHJPICVGEXFK-UHFFFAOYSA-N;96.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99525;MM99525;C=CC1CC(=O)O1;YTKATZJRHFWHBB-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99526;MM99526;O=CC1CC(=O)O1;CNAJZKYKXFEDNQ-UHFFFAOYSA-N;100.07;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99527;MM99527;N#CC1CC(=O)O1;USKJHPDHYMKXAX-UHFFFAOYSA-N;97.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99528;MM99528;N=CN1CC(=O)C1;OBXKRXBVCKCCDP-UHFFFAOYSA-N;98.11;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99529;MM99529;CNC(C=O)C(=O)CC#N;GYAAUQHCCJGMKS-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99530;MM99530;Nn1cc(CO)[nH]c1=NO;NFGJAIBEUWMJMT-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99531;MM99531;C#CC1CC(=O)C1;ZIZGUPFKVRDELY-UHFFFAOYSA-N;94.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99532;MM99532;C#CC1CC(=O)N1;VVICRXUYFSFJSR-UHFFFAOYSA-N;95.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99533;MM99533;C#CC1CC(=O)O1;NVLMFIURCBDGGK-UHFFFAOYSA-N;96.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99534;MM99534;CC(C)CC1CC1;XIMCWSMVGVJQQN-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99535;MM99535;CC(N)CC1CC1;WFJUBRAHXQCZAM-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99536;MM99536;Nn1c(CO)c[nH]c1=NO;RMXAUSDSCRJXSG-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99537;MM99537;CC(F)CC1CC1;BPZSZHNBAPOLLS-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99538;MM99538;FC(F)CC1CC1;GJSXOCUADDBHLP-UHFFFAOYSA-N;106.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99539;MM99539;CC(C)NC1CC1;XWGXFOVSOYMSGT-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99540;MM99540;CC(C)OC1CC1;VJWPDEOVRRJIGI-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99541;MM99541;CN(C)CC1CC1;DQVRGSIXUGZCOV-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99542;MM99542;CC(N)CC1CN1;DTFHMFMZMMHCFZ-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99543;MM99543;CC(C)CC1CO1;YXIOECOAAMLHPG-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99544;MM99544;CC(N)CC1CO1;HQQSMSZROSNCPT-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99545;MM99545;CC(O)CC1CO1;LOHJQYQXEMXLBA-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99546;MM99546;CC(F)CC1CO1;OTJIRFUGOSJOKF-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99547;MM99547;FC(F)CC1CO1;OGCQSACSIMYBNG-UHFFFAOYSA-N;108.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99548;MM99548;CN(C)CC1CO1;TWJYXMZUQAMMKA-UHFFFAOYSA-N;101.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99549;MM99549;CC(N)CN1CC1;XPYVLCAHLAFWKQ-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99550;MM99550;CC(F)CN1CC1;GIZROXRYOOQRDL-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99551;MM99551;FC(F)CN1CC1;NTNYGVWHGBYTBA-UHFFFAOYSA-N;107.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99552;MM99552;C=C(C)CC1CC1;MVWDDTPRVMNSTO-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99553;MM99553;CC(=O)CC1CC1;CTNXHXGIKSAADL-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99554;MM99554;N=C(N)CC1CC1;QDKGGUVUUBZSOR-UHFFFAOYSA-N;98.15;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99555;MM99555;N=c1[nH]oc(=N)n1C=NO;HFVIJBMMSUTZEX-UHFFFAOYSA-N;143.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99556;MM99556;O=C(O)CC1CC1;KVVDRQDTODKIJD-UHFFFAOYSA-N;100.12;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99557;MM99557;C=C(F)CC1CC1;CVARDVJVIDZWCI-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99558;MM99558;CC(=N)NC1CC1;WVUIPRKOZAFXQA-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99559;MM99559;CC(=O)NC1CC1;DUUADMGTZDJNRI-UHFFFAOYSA-N;99.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99560;MM99560;N=C(N)NC1CC1;AYTUUEWDUBHMBC-UHFFFAOYSA-N;99.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99561;MM99561;NC(=O)NC1CC1;CLMGCKCDSPUQEE-UHFFFAOYSA-N;100.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99562;MM99562;C=C(C)OC1CC1;IVHMSSBBNHSDTR-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99563;MM99563;CC(=O)OC1CC1;OZYHLCOUAISLLG-UHFFFAOYSA-N;100.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99564;MM99564;N=C(N)OC1CC1;BZLYPFMMGMEULH-UHFFFAOYSA-N;100.12;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99565;MM99565;NC(=O)OC1CC1;RZZFOJKGQIYSBE-UHFFFAOYSA-N;101.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99566;MM99566;N=C(N)CC1CN1;XSOUGKIYORMQRD-UHFFFAOYSA-N;99.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99567;MM99567;C=C(C)CC1CO1;QRESQDFZYGQCIQ-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99568;MM99568;CC(=O)CC1CO1;OCHYDAQZKQNNKU-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99569;MM99569;N=C(N)CC1CO1;BJFCBQLINRJDCV-UHFFFAOYSA-N;100.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99570;MM99570;NC(=O)CC1CO1;GYHZLNKMZPYTFB-UHFFFAOYSA-N;101.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99571;MM99571;N#Cc1nnn(O)c1N;WGTUOSVCEWBRNH-UHFFFAOYSA-N;125.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99572;MM99572;C=C(F)CC1CO1;GIWQZZVTZCPCLV-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99573;MM99573;CCCC1NC1C(C)=NO;BLYFSVKDAPGBSB-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99574;MM99574;N=C(N)CN1CC1;RCMWFXMCYJHRQZ-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99575;MM99575;CCCN1CC1C(C)=NO;AORWJPWOIBGFMM-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99576;MM99576;Nc1c(O)c(O)c(F)n1O;DPGAMJDPUZFJHQ-UHFFFAOYSA-N;148.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99577;MM99577;C=C(F)CN1CC1;NHVJFBQUQRRRCC-UHFFFAOYSA-N;101.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99578;MM99578;CC(=N)NN1CC1;DGKSRVNXPUMYKC-UHFFFAOYSA-N;99.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99579;MM99579;CC(=O)NN1CC1;UTYFFXPCXBODAJ-UHFFFAOYSA-N;100.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99580;MM99580;N=C(N)NN1CC1;WBVHXEYGSZCYJV-UHFFFAOYSA-N;100.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-10.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99581;MM99581;NC(=O)NN1CC1;JLIZDOULDIGZBM-UHFFFAOYSA-N;101.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99582;MM99582;CC(C)=CC1CC1;KBBOLTBWRZESTH-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99583;MM99583;CC(F)=CC1CC1;FYYPALCQBALBDJ-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99584;MM99584;FC(F)=CC1CC1;RKUUNSJINPXIAZ-UHFFFAOYSA-N;104.1;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99585;MM99585;FC(F)=CC1CN1;LLSLKWWRCFGNHB-UHFFFAOYSA-N;105.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99586;MM99586;CC(C)=CC1CO1;OBUOHAVMVFQHNK-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99587;MM99587;CC(F)=CC1CO1;ADJHTGCKOXNLEK-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99588;MM99588;FC(F)=CC1CO1;ZCOVRXGEMROENW-UHFFFAOYSA-N;106.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99589;MM99589;CC(C)=NN1CC1;OZPLWERUOZJMKD-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99590;MM99590;CC1CCCC1C;RIRARCHMRDHZAR-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99591;MM99591;CC1CCCC1N;TYDMZADCGUWTCH-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99592;MM99592;CC(=CN)C(CC=O)=NO;IEMCQMBTNLNPPK-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99593;MM99593;CC1CCCC1F;FVQROIUBZMBKTG-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99594;MM99594;NC1CCCC1N;MYJQGGALXPHWLV-UHFFFAOYSA-N;100.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99595;MM99595;NC1CCCC1O;JFFOUICIRBXFRC-UHFFFAOYSA-N;101.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99596;MM99596;NC1CCCC1F;SYDPJQJXMGPZQF-UHFFFAOYSA-N;103.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99597;MM99597;OC1CCCC1O;VCVOSERVUCJNPR-UHFFFAOYSA-N;102.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99598;MM99598;OC1CCCC1F;BDIRIPRHYULGQH-UHFFFAOYSA-N;104.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99599;MM99599;FC1CCCC1F;TUGYBZUOSTTYMP-UHFFFAOYSA-N;106.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99600;MM99600;CC1CNCC1C;RDEHRKLSYJBKDV-UHFFFAOYSA-N;99.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99601;MM99601;CC1CNCC1N;SLTMFXXAJKCIPQ-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99602;MM99602;CC1CNCC1O;PTYCBNUHKXMSSA-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99603;MM99603;CC1CNCC1F;HPCFSOFBKLAFII-UHFFFAOYSA-N;103.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99604;MM99604;NC1CNCC1N;WCOQAGPRGRKKLM-UHFFFAOYSA-N;101.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99605;MM99605;NC1CNCC1O;ZCZJKVCIYONNJR-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99606;MM99606;NC1CNCC1F;NNDGWIOJJXUONO-UHFFFAOYSA-N;104.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99607;MM99607;OC1CNCC1O;JCZPOYAMKJFOLA-UHFFFAOYSA-N;103.12;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99608;MM99608;CC1COCC1C;FVAHHPPJYLVIIC-UHFFFAOYSA-N;100.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99609;MM99609;CC1COCC1N;YGAMXHGNEOFJNN-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99610;MM99610;CC1COCC1O;FYIORKUEZVVKEL-UHFFFAOYSA-N;102.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99611;MM99611;CC1COCC1F;ZRXIZUOKVNAXEF-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99612;MM99612;NC1COCC1N;VPSJSRRUXSUNFA-UHFFFAOYSA-N;102.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99613;MM99613;NC1COCC1O;HQVKXDYSIGDGSY-UHFFFAOYSA-N;103.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99614;MM99614;NC1COCC1F;QEFNMXYQEIJFEA-UHFFFAOYSA-N;105.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99615;MM99615;OC1COCC1O;SSYDTHANSGMJTP-UHFFFAOYSA-N;104.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99616;MM99616;OC1COCC1F;INQHWCYKASVEQT-UHFFFAOYSA-N;106.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99617;MM99617;CC1CCNC1C;ZKCLHJUZGZWTNA-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99618;MM99618;CC1NCCC1N;KCFCHQFZOXTLFP-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99619;MM99619;CC1NCCC1O;PNHQGHVFLXERHR-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99620;MM99620;CC1NCCC1F;CZGOWNVZJXCIKJ-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99621;MM99621;CC1CCOC1C;HIPLXTICEUKKIT-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99622;MM99622;CC1OCCC1N;OBFFLNVYKSXULV-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99623;MM99623;CC1OCCC1O;ZFVWBUVYNPLIIS-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99624;MM99624;CC1OCCC1F;MPLFQWZQENKJOO-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99625;MM99625;CC1OCOC1C;GGQOXKOHMFKMLR-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99626;MM99626;CC1CCCN1C;PXHHIBMOFPCBJQ-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99627;MM99627;C=C1CCCC1C;FADJUGSUYLCNJQ-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99628;MM99628;CC1CCCC1=O;ZIXLDMFVRPABBX-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99629;MM99629;C=C1CCCC1N;XHFYQJMTVACZDA-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99630;MM99630;C#CCNCC(=NO)NO;IWWARVMKIMBXAO-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99631;MM99631;O=C1CCCC1O;LUTDLYPHDVQSHT-UHFFFAOYSA-N;100.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99632;MM99632;C=C1CCCC1F;WSXGFBSIWQPQJJ-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99633;MM99633;O=C1CCCC1F;BHPDTMCXIHPYNM-UHFFFAOYSA-N;102.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99634;MM99634;C=C1CNCC1C;VKOFEDONJZOQPC-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99635;MM99635;C=C1CNCC1N;DEJHJEASWLGAEW-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99636;MM99636;C=C1CNCC1O;DXUGNSZUBZMVKJ-UHFFFAOYSA-N;99.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99637;MM99637;C=C1CNCC1F;CWSJPPOUHQWKGH-UHFFFAOYSA-N;101.12;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99638;MM99638;CCC1=NNC(=NO)NN1;WZVJUCKVRVPWAR-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99639;MM99639;C=C1COCC1C;JJDXDJKPBZIXPI-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99640;MM99640;CC1COCC1=O;GGMAHWLGPQOVSJ-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99641;MM99641;C=C1COCC1N;IVDIRHIPXFSYRL-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99642;MM99642;C=C1COCC1O;UYNNDGRREXXGBW-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99643;MM99643;O=C1COCC1O;CTIATVAULSYRTQ-UHFFFAOYSA-N;102.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99644;MM99644;C=C1COCC1F;RFJWOGQCGJDSDI-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99645;MM99645;O=C1COCC1F;OZNHASPHPVJBCS-UHFFFAOYSA-N;104.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99646;MM99646;CC1CCNC1=N;IIZNRRGQKIIKRY-UHFFFAOYSA-N;98.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99647;MM99647;CC1CCNC1=O;AOCWQPKHSMJWPL-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99648;MM99648;N=C1NCCC1N;PFADTYUDSCVELJ-UHFFFAOYSA-N;99.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99649;MM99649;N=C1NCCC1O;CQWSECCTFYHLRO-UHFFFAOYSA-N;100.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99650;MM99650;O=C1NCCC1O;FRKGSNOMLIYPSH-UHFFFAOYSA-N;101.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99651;MM99651;O=C1NCCC1F;OPUUXPIAXCZUOB-UHFFFAOYSA-N;103.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99652;MM99652;CC1CNNC1=N;FTQXOCLYAYAUNL-UHFFFAOYSA-N;99.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99653;MM99653;CNC(C#N)CC=NO;FLIUFZIRGOYTGO-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99654;MM99654;N=C1NNCC1N;YYDQHCRYNYMJDP-UHFFFAOYSA-N;100.13;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99655;MM99655;N=C1NNCC1O;OMQQOUWQKCUQLO-UHFFFAOYSA-N;101.11;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99656;MM99656;O=C1NNCC1O;MITBIXMCOUBWAB-UHFFFAOYSA-N;102.09;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99657;MM99657;O=C1NNCC1F;XALBCOQXALJILR-UHFFFAOYSA-N;104.08;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99658;MM99658;CC1CONC1=N;GRIUVULAQKZYCV-UHFFFAOYSA-N;100.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99659;MM99659;COc1cnn(O)c1O;VFLPVDMWUANDPD-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99660;MM99660;CN=c1cc(C)[nH]oc1=O;KBXMQHXFHRPMNL-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99661;MM99661;CC(F)C(=O)C(O)C=NO;AUJWYWSQGGJQOS-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99662;MM99662;C=C1OCCC1C;OGDHCGWVKPHBOR-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99663;MM99663;CC1CCOC1=O;QGLBZNZGBLRJGS-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99664;MM99664;C=C1OCCC1N;QOSIVHMQWWHJRC-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99665;MM99665;C=C1OCCC1O;AQAPWRZJKYXIPM-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99666;MM99666;O=C1OCCC1O;FWIBCWKHNZBDLS-UHFFFAOYSA-N;102.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99667;MM99667;C=C1OCCC1F;QXPBZHLJJHFTGM-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99668;MM99668;O=C1OCCC1F;QSGGLAGTJDEIAN-UHFFFAOYSA-N;104.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99669;MM99669;C=C1CCNC1C;TVDKAVLCFVHXJX-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99670;MM99670;C=C1CCOC1C;BUNYPADZUGJSSI-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99671;MM99671;CC1OCCC1=O;FCWYQRVIQDNGBI-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99672;MM99672;C=C1OCOC1C;FZXKOBRIJUDCEB-UHFFFAOYSA-N;100.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99673;MM99673;CC1OCOC1=O;AQAZKBKTTBELHE-UHFFFAOYSA-N;102.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99674;MM99674;CN1CCCC1=N;KGVDKNYFTLFECV-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99675;MM99675;CN1CCCC1=O;SECXISVLQFMRJM-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99676;MM99676;N=C1CCCN1N;BYUNFALRZNDXCA-UHFFFAOYSA-N;99.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99677;MM99677;NN1CCCC1=O;LSROBYZLBGODRN-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99678;MM99678;N=C1CCCN1O;UOPSAMBPLPDPHH-UHFFFAOYSA-N;100.12;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99679;MM99679;CN1CCNC1=N;LVZDYZBGDSGSCR-UHFFFAOYSA-N;99.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99680;MM99680;CN1CCNC1=O;JTPZTKBRUCILQD-UHFFFAOYSA-N;100.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99681;MM99681;N=C1NCCN1N;GPLPAXVMGVVCOU-UHFFFAOYSA-N;100.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99682;MM99682;C#CCCNC(C=O)C=O;SUVGPMJZCUYGMB-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99683;MM99683;N=C1NCCN1O;XIZYZTPLXIRYOY-UHFFFAOYSA-N;101.11;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99684;MM99684;O=C1NCCN1O;CIJBZJVYLYXASM-UHFFFAOYSA-N;102.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99685;MM99685;CN1CCOC1=N;PPPKVHNDEQHSBX-UHFFFAOYSA-N;100.12;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99686;MM99686;CN1CCOC1=O;VWIIJDNADIEEDB-UHFFFAOYSA-N;101.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99687;MM99687;NN1CCOC1=O;KYCJNIUHWNJNCT-UHFFFAOYSA-N;102.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99688;MM99688;Nc1cn(N)n(N)c1=NO;DTNURKMOQMJNGV-UHFFFAOYSA-N;144.14;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99689;MM99689;CN1NCCC1=N;LNNGKRBOMWMFMR-UHFFFAOYSA-N;99.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99690;MM99690;CN1NCCC1=O;VHEMQTLAFYXEML-UHFFFAOYSA-N;100.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99691;MM99691;CN1OCCC1=N;GCNBMTKSKDPKOM-UHFFFAOYSA-N;100.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99692;MM99692;CN1OCCC1=O;DGVORXWMCNREFA-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99693;MM99693;CN1OCOC1=N;WJNQBAQRIRCKBI-UHFFFAOYSA-N;102.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99694;MM99694;CN1OCOC1=O;KJWSDVZGJNTIAC-UHFFFAOYSA-N;103.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99695;MM99695;C=C1CCCC1=C;XBJHZEUYCYYCLK-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99696;MM99696;C=C1CCCC1=O;SLRKFRUSEKUSAF-UHFFFAOYSA-N;96.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99697;MM99697;O=C1CCCC1=O;CIISBNCSMVCNIP-UHFFFAOYSA-N;98.1;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99698;MM99698;C=C1CNCC1=C;JPJFGNNAQPFUCS-UHFFFAOYSA-N;95.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99699;MM99699;Oc1c[nH]cc1O;IKENODFZTLMRMK-UHFFFAOYSA-N;99.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99700;MM99700;C=C1COCC1=C;XLJZGUAKXOLESQ-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99701;MM99701;C=C1COCC1=O;SVQOWRZOPPHTBB-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99702;MM99702;Cn1c(F)c(F)[nH]c1=NO;DWJIDGLYFMVHML-UHFFFAOYSA-N;149.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99703;MM99703;C=C1CCNC1=N;MFJPCBPVDARZEF-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99704;MM99704;C=C1CCNC1=O;FEFAOCZERLVSIS-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99705;MM99705;CCc1[nH]oc(=NN)c1C;WHLZFIAUGGMFJB-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99706;MM99706;O=C1CCNC1=O;QFYXSLAAXZTRLG-UHFFFAOYSA-N;99.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99707;MM99707;C=C1CNNC1=N;FPCNAOIYFXOJLG-UHFFFAOYSA-N;97.12;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99708;MM99708;C=C1CNNC1=O;CMNKELODYNOSSU-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99709;MM99709;ON=c1[nH][nH]c(=NO)o1;SERADRNWNUWMGA-UHFFFAOYSA-N;132.08;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99710;MM99710;C=Cc1cc(=O)n(N)[nH]1;MZBPTVKDACRMRT-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99711;MM99711;C=C1CONC1=N;HINPQBDBJMESKT-UHFFFAOYSA-N;98.11;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99712;MM99712;C=C1CONC1=O;HEDFLTROVRVRJX-UHFFFAOYSA-N;99.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99713;MM99713;CN1CC1CC(C#N)=NO;SGUHOLSSZDVAGZ-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99714;MM99714;N#CC(=CN)C(=O)CC=O;JQMCBHJVOHAAOR-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99715;MM99715;C=C1CCOC1=C;DYASICXGKFJMSB-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99716;MM99716;C=C1CCOC1=O;GSLDEZOOOSBFGP-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99717;MM99717;C=C1OCCC1=O;WRUBEXAKGMXDKZ-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99718;MM99718;O=C1CCOC1=O;LJFSZDRPNLUQMV-UHFFFAOYSA-N;100.07;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99719;MM99719;Cn1cncc1O;LZIWDCUGZOPBQX-UHFFFAOYSA-N;98.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99720;MM99720;Cn1nnc(=O)cc1O;DRUBUICSRBMMDB-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99721;MM99721;CONC(=O)CC(C)=O;QIECUONTZRHJJM-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99722;MM99722;Nc1nonc1N;JHJVSUCUNFXIHN-UHFFFAOYSA-N;100.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99723;MM99723;COc1nn(C)c(=O)[nH]1;NPEIMBCOIRJWBU-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99724;MM99724;Oc1nc(F)co1;KIQJLZQRSHHZDG-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99725;MM99725;C=C1OCOC1=C;HCRVGLSMRRNKRL-UHFFFAOYSA-N;98.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99726;MM99726;C=C1OCOC1=O;WFWSOKMNYHOUHO-UHFFFAOYSA-N;100.07;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99727;MM99727;O=C1OCOC1=O;IVJSVTUVNPAOTO-UHFFFAOYSA-N;102.05;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99728;MM99728;Nc1oc(O)c(O)c1O;YVZOGJGAYYUZOB-UHFFFAOYSA-N;131.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99729;MM99729;CC1C=CCC1C;JOVGLRSLWFSVNB-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99730;MM99730;CC1CC=CC1N;IBBNHXBHXCHKGK-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99731;MM99731;CC(C=NO)N1CC1C;NYNIWJNHEFRFLM-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99732;MM99732;CC1CC=CC1F;UCTPBQAQBXFKLZ-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99733;MM99733;CC1C=CCC1N;OMGCCQKZVDTABF-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99734;MM99734;NC1C=CCC1N;JIQNZIXTSVBNHT-UHFFFAOYSA-N;98.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99735;MM99735;NC1CC=CC1O;WRBJBJAMUDRWHJ-UHFFFAOYSA-N;99.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99736;MM99736;NC1CC=CC1F;XBFNDVHJTISBBJ-UHFFFAOYSA-N;101.12;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99737;MM99737;CNN=CNNC(=O)C#N;USIWSCYVUWCNQS-UHFFFAOYSA-N;141.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99738;MM99738;NC1C=CCC1O;LVWZAQSLUSAOPQ-UHFFFAOYSA-N;99.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99739;MM99739;OC1C=CCC1O;VQWAZBMRMSMLPG-UHFFFAOYSA-N;100.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99740;MM99740;OC1CC=CC1F;ADNIHOLOKRMLJT-UHFFFAOYSA-N;102.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99741;MM99741;CC1C=CCC1F;LLLKIZBWJFLMHE-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99742;MM99742;NC1C=CCC1F;LOQFPRRSUJKRMT-UHFFFAOYSA-N;101.12;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99743;MM99743;OC1C=CCC1F;HBOWSJIMXDQXNB-UHFFFAOYSA-N;102.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99744;MM99744;FC1C=CCC1F;JLGVMJVCUHIRSW-UHFFFAOYSA-N;104.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99745;MM99745;CC1C=NNC1C;SOAGQMUXRXXXPM-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99746;MM99746;Cc1cc(=NO)n(C)n1N;RCMNZMJKBXZELJ-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99747;MM99747;Cc1cn(N)n(C)c1=NO;FOGVZWDVYDZSKM-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99748;MM99748;CC1C=COC1C;VTRDYFBXPAQIMN-UHFFFAOYSA-N;98.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99749;MM99749;CC1OC=CC1N;DVYZRWRDJFSYAE-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99750;MM99750;CC1OC=CC1O;QFINXVSKJIEMDD-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99751;MM99751;CC1OC=CC1F;MDNIYFYPWXZOGX-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99752;MM99752;CC1C=NOC1C;VWLAJPAQUJCUJZ-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99753;MM99753;N=C1CC(C=O)=NN1;DZEJMBYCPSGMJE-UHFFFAOYSA-N;111.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99754;MM99754;CN1N=C(C=O)CC1=N;OYYNXYNYJYPMBS-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99755;MM99755;CC1CN=CN1C;HIQQHFMVDXGMQD-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99756;MM99756;CC1CC=NN1C;YTDZUPBPWJAQDV-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99757;MM99757;CC1C=CCN1C;DUSFGQMCUNCOJP-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99758;MM99758;C=C1C=CCC1C;QXYYHQHPBDKXJY-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99759;MM99759;CC1CC=CC1=O;OOJIJAGFQCKGCL-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99760;MM99760;C=C1C=CCC1N;HQSZUPNPDGPGKA-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99761;MM99761;C=C(C)NC=NC(C)=NO;ACAQVMULPOFYLW-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99762;MM99762;O=C1C=CCC1O;FDUIFLYZTLLZSP-UHFFFAOYSA-N;98.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99763;MM99763;C=C1C=CCC1F;YCUVXKRQHVBKLA-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99764;MM99764;O=C1C=CCC1F;OGYDMBPBVNZSKE-UHFFFAOYSA-N;100.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99765;MM99765;Cc1[nH]ccc1O;PVCYHRGPWALJNC-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99766;MM99766;C=C1C=NNC1C;DWFKOCSSUGPFDF-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99767;MM99767;N#CCC(=NO)OC=NO;RFKHDJJZNQSAFT-UHFFFAOYSA-N;143.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99768;MM99768;Cn1c(N)c(O)c(O)c1N;ULVFYMFTPJXQMI-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99769;MM99769;C=C1C=COC1C;WJRMAGQVQNRMNL-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99770;MM99770;C=C1C=NOC1C;RUERZSQQBXGGPG-UHFFFAOYSA-N;97.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99771;MM99771;C=COC(=NO)C(O)CO;XJHYKKGVJPIYNG-UHFFFAOYSA-N;147.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99772;MM99772;CN1CC=CC1=N;KJMJVMQNMJZOQV-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99773;MM99773;CN1CC=CC1=O;VHGGRTWHRJRQKU-UHFFFAOYSA-N;97.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99774;MM99774;N=C1C=CCN1N;COJFUCMLOSRPBN-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99775;MM99775;NN1CC=CC1=O;QGKWFYZDBNLKOY-UHFFFAOYSA-N;98.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99776;MM99776;O=C1C=CCN1O;UNBFIJXMQSWODB-UHFFFAOYSA-N;99.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99777;MM99777;C=COc1nc(CF)n[nH]1;CDWYMBLTQOCXNX-UHFFFAOYSA-N;143.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99778;MM99778;NN=c1o[nH]oc1=O;VFIDUEUFYSNPBT-UHFFFAOYSA-N;117.06;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99779;MM99779;On1nccc1F;OYQDRKTUDSWZPT-UHFFFAOYSA-N;102.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99780;MM99780;NC(=O)C(O)C=NO;PJBFKYLTNLWIQD-UHFFFAOYSA-N;118.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99781;MM99781;Cn1[nH]cnc1=O;ILQNVRGOXXBGCI-UHFFFAOYSA-N;99.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99782;MM99782;CNc1nnn(N)c1O;CTXSBCLIYBRJMF-UHFFFAOYSA-N;129.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99783;MM99783;Cc1c(O)c(O)c(F)n1N;RYJUYNSLDJLIBF-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99784;MM99784;Nn1c(=O)n(N)n(O)c1=O;GVAQYNKNHUWKIT-UHFFFAOYSA-N;147.09;-3.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99785;MM99785;COc1[nH]nc(C)c1O;WJLFMWRGJBWMPG-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99786;MM99786;Cn1occc1=N;UXPZBITXTIRVCL-UHFFFAOYSA-N;98.11;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99787;MM99787;Cn1occc1=O;JPENACUQEHMSRR-UHFFFAOYSA-N;99.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99788;MM99788;Nn1occc1=O;AOYFDIXPPUWQIG-UHFFFAOYSA-N;100.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99789;MM99789;ON=c1cc[nH]n1O;JSBZQIKOYDRRFQ-UHFFFAOYSA-N;115.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99790;MM99790;Cn1oncc1=N;SERZDAJBBCZRGC-UHFFFAOYSA-N;99.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99791;MM99791;Cn1oncc1=O;DMDNFLVUJQUAMI-UHFFFAOYSA-N;100.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99792;MM99792;N=c1cnon1N;JFGJHHMUBWKCSR-UHFFFAOYSA-N;100.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99793;MM99793;Nn1oncc1=O;ORFAUHSSWNALKB-UHFFFAOYSA-N;101.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99794;MM99794;N=c1cnon1O;LRPINVONXFYGJS-UHFFFAOYSA-N;101.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99795;MM99795;Cn1ocnc1=O;OABQKKISLPRRDA-UHFFFAOYSA-N;100.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99796;MM99796;Nn1ocnc1=O;NCEPRJUWTPBJSG-UHFFFAOYSA-N;101.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99797;MM99797;Nn1c(F)cc(=O)n1O;AHWSGGDRNSGYLR-UHFFFAOYSA-N;133.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99798;MM99798;Cn1onnc1=N;YJKJWLYSHLYKIR-UHFFFAOYSA-N;100.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99799;MM99799;Cn1onnc1=O;RROXOIYDIJGQEI-UHFFFAOYSA-N;101.07;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99800;MM99800;N=c1nnon1N;OUYDEVNVPYHGHL-UHFFFAOYSA-N;101.07;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99801;MM99801;Nn1onnc1=O;TUCPTYVQAWUSDE-UHFFFAOYSA-N;102.05;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99802;MM99802;Cn1on(N)c(=N)c1=NO;GDYBUZSDCAGLCI-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99803;MM99803;N=c1n(N)ccc(=O)n1O;WDURLPWJDPGHKN-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99804;MM99804;C=C1CC=CC1C;QHRYMSDFEBRODE-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99805;MM99805;C=C1CC=CC1N;DMJYCVARCGVTRA-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99806;MM99806;C#CCC(C=C(C)N)=NO;NILMPMJTCZOVQU-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99807;MM99807;C=C1CC=CC1F;YZRIRVJXSUOMJM-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99808;MM99808;CC1C=CCC1=O;MYRMNWFJRMPYID-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99809;MM99809;O=C1CC=CC1O;FRNJUUAMCJVDGM-UHFFFAOYSA-N;98.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99810;MM99810;O=C1CC=CC1F;YHGXNZRZENNJRL-UHFFFAOYSA-N;100.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99811;MM99811;CC1C=CNC1=N;LORZQWHWSQFJNN-UHFFFAOYSA-N;96.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99812;MM99812;N=C1NC=CC1N;RQVJWARYBDFNBA-UHFFFAOYSA-N;97.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99813;MM99813;N=C1NC=CC1O;MOCGUMVSPMRXTH-UHFFFAOYSA-N;98.11;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99814;MM99814;CC1C=CNC1=O;MMZWKJMHFBDLLF-UHFFFAOYSA-N;97.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99815;MM99815;O=C1NC=CC1O;NSTCEIAZXZJDFW-UHFFFAOYSA-N;99.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99816;MM99816;O=C1NC=CC1F;YSIWYDGLXXHBAA-UHFFFAOYSA-N;101.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99817;MM99817;CON=CNCC(C)=NO;LUTVOAGRBQNKNP-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99818;MM99818;N=C1NN=CC1F;QXPKMJFMTAWFPK-UHFFFAOYSA-N;101.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99819;MM99819;CC1C=NNC1=O;GWYFIIHULJCWMO-UHFFFAOYSA-N;98.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99820;MM99820;O=C1NN=CC1O;BPXDURBMSGRKDB-UHFFFAOYSA-N;100.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99821;MM99821;O=C1NN=CC1F;NUDVPZJIBQXUBB-UHFFFAOYSA-N;102.07;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99822;MM99822;C=C1NC=NC1C;AZATZIZBTDVJCS-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99823;MM99823;C=C1OC=CC1C;HCAGVMYOFZZORR-UHFFFAOYSA-N;96.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99824;MM99824;C=C1OC=CC1N;HMEWVHSOLFXJPE-UHFFFAOYSA-N;97.12;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99825;MM99825;C=C1OC=CC1O;IMGCNUJHCVUTMI-UHFFFAOYSA-N;98.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99826;MM99826;C=C1OC=CC1F;KECNHOHDSLNHES-UHFFFAOYSA-N;100.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99827;MM99827;CC1C=COC1=O;RGYFLKMPUITCGP-UHFFFAOYSA-N;98.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99828;MM99828;O=C1OC=CC1O;UCYQBFGYQFAGSO-UHFFFAOYSA-N;100.07;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99829;MM99829;O=C1OC=CC1F;BOKTWTBRFKMMQF-UHFFFAOYSA-N;102.06;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99830;MM99830;CC1C=NOC1=O;YRFPWCNWVGSOAF-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99831;MM99831;Cc1cn(C)n(N)c1=NO;IPWIICKPONNFJE-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99832;MM99832;O=C1ON=CC1O;AOJREZIINWBYDW-UHFFFAOYSA-N;101.06;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99833;MM99833;CN1C=CCC1=N;HAWWUZJOTMLKNG-UHFFFAOYSA-N;96.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99834;MM99834;N=C1CC=CN1N;YZULKBLWFJYFQB-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99835;MM99835;N=C1CC=CN1O;YAIRMYNLYFOIBY-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99836;MM99836;CN1C=CCC1=O;VIETUFSZPCIVQL-UHFFFAOYSA-N;97.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99837;MM99837;NN1C=CCC1=O;AQZMGEOVQFOCOA-UHFFFAOYSA-N;98.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99838;MM99838;O=C1CC=CN1O;FUIIAVDEPFYOIB-UHFFFAOYSA-N;99.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99839;MM99839;C=C1CN=CN1C;DNAKIVOUEDGFMG-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99840;MM99840;CN=C1CC(C=O)=NN1;WNNXFOLTPQRMMS-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99841;MM99841;Cn1c(N)c(O)[nH]c1=NO;IIVUOHRYISSRCE-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99842;MM99842;Cn1c(N)nnnc1=NO;OFHHXRMYNKSWJN-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99843;MM99843;Cn1nnc(=NO)n1N;XSPLIDVNLYEINU-UHFFFAOYSA-N;130.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99844;MM99844;NN1C=NCC1=O;HPNORRVNBLACGQ-UHFFFAOYSA-N;99.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99845;MM99845;Nc1[nH]c(=NO)n(O)c1N;JIZDPGRBXLNZDH-UHFFFAOYSA-N;145.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99846;MM99846;CCN=C1CC(C=O)=NN1;GPFHZYCSTUAYMP-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99847;MM99847;Cn1cc[nH]c1=N;NQCJWEXYVVFKBT-UHFFFAOYSA-N;97.12;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99848;MM99848;N=c1[nH]ccn1N;IGABGCQXXYNDCA-UHFFFAOYSA-N;98.11;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99849;MM99849;N=c1[nH]ccn1O;SBJUPFUEOAGZOK-UHFFFAOYSA-N;99.09;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99850;MM99850;Cn1cc[nH]c1=O;PXHFWPOPKVWXQT-UHFFFAOYSA-N;98.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99851;MM99851;Nn1cc[nH]c1=O;GTTWBUMHSKHOPX-UHFFFAOYSA-N;99.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99852;MM99852;Cn1cn[nH]c1=O;LCIMTQHLKRQXAS-UHFFFAOYSA-N;99.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99853;MM99853;Nn1cn[nH]c1=O;CPCBLTSIDBUNNE-UHFFFAOYSA-N;100.08;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99854;MM99854;CC1C(C#N)C(=O)C1C#N;HSDFYQLVXSESDH-UHFFFAOYSA-N;134.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99855;MM99855;N#CC1=COC(=O)C1;OGBRFIDKEIFXHE-UHFFFAOYSA-N;109.08;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99856;MM99856;Cc1c(O)n(O)c(=O)n1C;IHYCOHOIQWENRT-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99857;MM99857;C#CC1(C=O)CC(=O)NO1;KZXOQPPZUKGANH-UHFFFAOYSA-N;139.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99858;MM99858;Cn1ccoc1=N;BKJGXABZGNVNEM-UHFFFAOYSA-N;98.11;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99859;MM99859;CC(C=O)C(=O)C(=N)N;WTEBPIAVBYBLJB-UHFFFAOYSA-N;128.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99860;MM99860;Cn1ccoc1=O;PREOEEDHHXCXJX-UHFFFAOYSA-N;99.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99861;MM99861;Nn1ccoc1=O;PGXWBZJYJBAVKD-UHFFFAOYSA-N;100.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99862;MM99862;O=CC12CC1C(=O)NO2;LSMLZJKBWBTNGU-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99863;MM99863;Cn1cnoc1=N;LBBDUDDMIUGXQC-UHFFFAOYSA-N;99.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99864;MM99864;N=c1oncn1N;OEUTWJZTDOGOQK-UHFFFAOYSA-N;100.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99865;MM99865;Cc1[nH]oc(=NN)c1C;UUBFLGAHOMZLFB-UHFFFAOYSA-N;127.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99866;MM99866;Cn1cnoc1=O;AGFMGHSDJMQPBS-UHFFFAOYSA-N;100.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99867;MM99867;Nn1cnoc1=O;MSSONRAERPXLDS-UHFFFAOYSA-N;101.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99868;MM99868;CCONC(=O)C#CC#N;NRGANXCCGNHXBI-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99869;MM99869;Cn1ncoc1=N;HNKBRJRZZJQULV-UHFFFAOYSA-N;99.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99870;MM99870;N=c1ocnn1N;IGLDRJKQAUXUQI-UHFFFAOYSA-N;100.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99871;MM99871;Cn1c(O)c(N)[nH]c1=NO;NXTRRYLNLOMVNO-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99872;MM99872;Cn1ncoc1=O;YZUKGJCAMQHHLQ-UHFFFAOYSA-N;100.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99873;MM99873;Nn1ncoc1=O;GQMBDYXJZCRNBH-UHFFFAOYSA-N;101.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99874;MM99874;CCC(=O)CC(=O)NOC;WNEIUIQCJCYKET-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99875;MM99875;Cn1nnoc1=N;BPZALYHIRZAMBP-UHFFFAOYSA-N;100.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99876;MM99876;N=c1onnn1N;RRLZLGMJWNXHJT-UHFFFAOYSA-N;101.07;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99877;MM99877;N=c1onnn1O;URABIWNQXPKICO-UHFFFAOYSA-N;102.05;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99878;MM99878;Cn1nnoc1=O;DODJWOGLTZYWDQ-UHFFFAOYSA-N;101.07;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99879;MM99879;Nn1nnoc1=O;PBQWIFDDYJNKQU-UHFFFAOYSA-N;102.05;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99880;MM99880;O=CC=c1ccc(=CO)[nH]1;SZJCFGQSOASMDN-UHFFFAOYSA-N;137.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99881;MM99881;C=C1C=CCC1=C;BYMRRVKIIWDNIL-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99882;MM99882;C=C1CC=CC1=O;KMVTZBLFHVXLMN-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99883;MM99883;C=C1C=CCC1=O;BIRZJPYKFTXEHJ-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99884;MM99884;O=C1C=CCC1=O;WMNNFUMNTPIROQ-UHFFFAOYSA-N;96.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99885;MM99885;C=C1C=CNC1=N;HKIFBRHZLKZYJS-UHFFFAOYSA-N;94.12;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99886;MM99886;N=c1c(=NO)occn1N;FTIUXZWJXXOPQQ-UHFFFAOYSA-N;142.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99887;MM99887;C=C1C=CNC1=O;DGFLHGAZVKVPIS-UHFFFAOYSA-N;95.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99888;MM99888;O=C1C=CNC1=O;WIFCKLPZYYALGY-UHFFFAOYSA-N;97.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99889;MM99889;COC(=O)NC(=NN)NN;KWCMKUXAXVJHTM-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99890;MM99890;C#CCOC(N)=CC=NO;GESOPFUSEMQTGB-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99891;MM99891;C=C1C=NNC1=O;LTPSIHITLYZGFV-UHFFFAOYSA-N;96.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99892;MM99892;O=C1C=NNC1=O;DFHYLJFFCDLEBS-UHFFFAOYSA-N;98.06;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99893;MM99893;C=C1N=CNC1=O;FVEPUQVTLVLBMB-UHFFFAOYSA-N;96.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99894;MM99894;CC=Cc1cc(=NN)o[nH]1;RQCLOMWHDNCEPF-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99895;MM99895;N=C1N=CNC1=O;NIRRESIEESQWCU-UHFFFAOYSA-N;97.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99896;MM99896;O=C1N=CNC1=O;ODZYMSKQIROSOC-UHFFFAOYSA-N;98.06;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99897;MM99897;C=c1ccoc1=C;GHDUZXMDGUZULB-UHFFFAOYSA-N;94.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99898;MM99898;C=C1OC=CC1=O;HBIXGYDTZXOPJF-UHFFFAOYSA-N;96.09;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99899;MM99899;C=C1C=COC1=O;OHUBPYGSLGHDBR-UHFFFAOYSA-N;96.09;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99900;MM99900;O=C1C=COC1=O;IAODRFIZLKITMK-UHFFFAOYSA-N;98.06;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99901;MM99901;C=C1C=NOC1=O;PJECRWYLUSOIKI-UHFFFAOYSA-N;97.07;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99902;MM99902;O=C1C=NOC1=O;JAVXJGWHZGKFET-UHFFFAOYSA-N;99.05;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99903;MM99903;C=C1OC=NC1=N;OGQHXFYFSDHJOD-UHFFFAOYSA-N;96.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99904;MM99904;C=C1OC=NC1=O;OZEIJTFGYMYTOM-UHFFFAOYSA-N;97.07;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99905;MM99905;N=C1N=COC1=O;GPVCTAQFXHPCRO-UHFFFAOYSA-N;98.06;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99906;MM99906;O=C1N=COC1=O;XOOHQEDVNFXYHJ-UHFFFAOYSA-N;99.05;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99907;MM99907;CC1=CCCC1C;RIICRLQIUAAOOE-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99908;MM99908;CC1CCC=C1F;ZCQRMSBVCHUNNA-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99909;MM99909;CC1=CCCC1N;RLNVMBGLSRYBFZ-UHFFFAOYSA-N;97.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99910;MM99910;NC1CCC=C1F;LLLCCMVHLOPCCL-UHFFFAOYSA-N;101.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99911;MM99911;CCC(=NO)C(C)N1CC1;FMFNDBZOWGFPDS-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99912;MM99912;OC1CCC=C1F;KHCYKLAVGIJRPH-UHFFFAOYSA-N;102.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99913;MM99913;CC1=CCCC1F;ILLBLRALWYNKHA-UHFFFAOYSA-N;100.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99914;MM99914;FC1=CCCC1F;QQKXTUGVQRQFSC-UHFFFAOYSA-N;104.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99915;MM99915;CC1=COCC1C;NAXKYSVRCJCUNK-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99916;MM99916;CC1COC=C1F;WXDSVKHNMTUBSF-UHFFFAOYSA-N;102.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99917;MM99917;CC1=COCC1N;HORXPZXZZFQYET-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99918;MM99918;CC1=COCC1O;BIFYLXPCHNDAIC-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99919;MM99919;OC1COC=C1F;HVAIIPYXGFMDLG-UHFFFAOYSA-N;104.08;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99920;MM99920;CC1=COCC1F;JWGBOFXWKRKFEP-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99921;MM99921;FC1=COCC1F;YBJICPTWEMEESG-UHFFFAOYSA-N;106.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99922;MM99922;CC1=NNCC1C;YVIXPIGYCYZWCY-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99923;MM99923;Cc1c(N)[nH]c(O)c1O;BPNXLEXTVAYALU-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99924;MM99924;C=CCc1cc(=NN)o[nH]1;LCIIHJNPYDPWBH-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99925;MM99925;CC1=NOCC1C;XTWZTMCUZHPTHD-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99926;MM99926;CC#CC(=O)NN=CNN;NBKFYGSEXYYFLZ-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99927;MM99927;CC1=NOCC1F;IPTKIARFYIIHQG-UHFFFAOYSA-N;103.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99928;MM99928;CC1=CCNC1C;PUIQQUSUJBCQMG-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99929;MM99929;CC1NCC=C1F;YVRXNDDYVJBTLT-UHFFFAOYSA-N;101.12;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99930;MM99930;CC1=CCOC1C;IASHRZBMVKRTNZ-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99931;MM99931;CC1OCC=C1F;YHCIKVUGLNZJJO-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99932;MM99932;CC1=NCCN1C;QEIHVTKMBYEXPZ-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99933;MM99933;CC1=NCCN1N;JLFBUPMFHHZZEE-UHFFFAOYSA-N;99.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99934;MM99934;C=C1CCC=C1C;VIHRCWWJIWMUPF-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99935;MM99935;C=C1CCC=C1F;XTOQRBDNSIIYQN-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99936;MM99936;CC1=CCCC1=O;ZSBWUNDRDHVNJL-UHFFFAOYSA-N;96.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99937;MM99937;O=C1CCC=C1F;FQPBOZOOCBDFMQ-UHFFFAOYSA-N;100.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99938;MM99938;Cc1c[nH]cc1O;PRPLKAUMELMCKP-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99939;MM99939;C=C1COC=C1C;TUFAHVIFOQIWLC-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99940;MM99940;C=C1COC=C1F;NMMQSZGNMBPNSX-UHFFFAOYSA-N;100.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99941;MM99941;Cc1oc(F)c(O)c1C;OVRTUKCJRPFPIE-UHFFFAOYSA-N;130.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99942;MM99942;C=C1CNN=C1C;AGSSKCMFOODGPB-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99943;MM99943;C=C1CON=C1C;SPTQAMVHSGPUCW-UHFFFAOYSA-N;97.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99944;MM99944;C#Cc1cocc1O;WFOPYZOLNUNDBL-UHFFFAOYSA-N;108.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99945;MM99945;CC1=CCNC1=N;XTVZXHILHQJCEA-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99946;MM99946;CC1=CCNC1=O;FKGZOXIZGQWMTF-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99947;MM99947;O=C1NCC=C1F;YANZIYOYYHIXHZ-UHFFFAOYSA-N;101.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99948;MM99948;CCc1ncn(N)c1O;PMYHTLDKLDEOOB-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99949;MM99949;CCN(N)C(C=NO)=NO;IROVOSMSUHOFIY-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99950;MM99950;CNc1[nH]cc(O)c1C;KNNLQCSHQZQYEL-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99951;MM99951;Cc1nc(O)oc1O;UKZJUFGCAXCITF-UHFFFAOYSA-N;115.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99952;MM99952;N#Cc1oc(N)c(O)c1N;MJGCGJGLXPYZCY-UHFFFAOYSA-N;139.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99953;MM99953;C#CCCCC(C#N)=NO;POOWLIISJNXIKM-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99954;MM99954;C=Cc1cc(=NN)o[nH]1;MMRGUXFPGAFRHV-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99955;MM99955;Cn1c(=NO)cc(N)n1N;POGCZKQJLOWYKD-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99956;MM99956;Nc1nocc1F;XJBXKNDCPZDHCH-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99957;MM99957;CC=C(CO)C(C#N)=NO;XRYDRXOJZNKYLC-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99958;MM99958;C=C(C)C#CC(CF)=NO;PTEOIPVEZVYCEP-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99959;MM99959;COc1cnn[nH]1;YOMUZHDQFPQJEO-UHFFFAOYSA-N;99.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99960;MM99960;CCc1n[nH]c(NC=N)n1;CWKPGXICAQCLNV-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99961;MM99961;Nc1n[nH]nc1F;UDYYEQBUJOUIQX-UHFFFAOYSA-N;102.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99962;MM99962;COC(=O)C(O)C(C)=NO;XRBOWFLZFWVKBK-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99963;MM99963;CC(O)(C#CCO)C=NO;LVCCOBXIIIDNJI-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99964;MM99964;Cc1nonc1N;QIEJLLIYONRHBH-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99965;MM99965;Nc1nonc1F;AUDQVFMGOBCFMG-UHFFFAOYSA-N;103.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99966;MM99966;Cc1c(F)nn(N)c1O;VOQOYIBNPNBMDK-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99967;MM99967;Cc1cc(O)nn1C;ZITWSNQLWBKRBT-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99968;MM99968;C=C1OCC=C1C;GHBLBPIJGFFVBS-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99969;MM99969;C=C1OCC=C1F;MYAFSQZFHIPUID-UHFFFAOYSA-N;100.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99970;MM99970;CC1=CCOC1=O;VGHBEMPMIVEGJP-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99971;MM99971;O=C1OCC=C1F;CJNLDUJVMLMBRT-UHFFFAOYSA-N;102.06;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99972;MM99972;Cc1c[nH]oc1=O;FNZPCNWFHDHRKN-UHFFFAOYSA-N;99.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99973;MM99973;Nc1c[nH]oc1=O;PXVBTRITYBNBGW-UHFFFAOYSA-N;100.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99974;MM99974;Cn1nnc(O)cc1=NN;DPBKIORLHGSXHS-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99975;MM99975;CC1=CC=CC1C;ORWRFLSTLDPQJS-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99976;MM99976;CC1C=CC=C1F;PUELJTQGBMHCPN-UHFFFAOYSA-N;98.12;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99977;MM99977;CC1=CC=CC1N;KXYBMWACKHOFIS-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99978;MM99978;CC1=CC=CC1O;LLWBXYVFDAKUHC-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99979;MM99979;OC1C=CC=C1F;HUMHLIVEUUSEST-UHFFFAOYSA-N;100.09;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99980;MM99980;CC1=CC=CC1F;DFUSDWHZYMEPAO-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99981;MM99981;FC1=CC=CC1F;HORVARWFTNFJBS-UHFFFAOYSA-N;102.08;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99982;MM99982;CC1=NN=CC1C;POTDAVQTNXRHSF-UHFFFAOYSA-N;96.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99983;MM99983;CC1=NN=CC1O;GNOCWHZZZIZBJC-UHFFFAOYSA-N;98.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99984;MM99984;CC1=NN=CC1F;KJCUPBYWDXZADZ-UHFFFAOYSA-N;100.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99985;MM99985;Cc1cccn1C;GNFLFHZJXXFDRA-UHFFFAOYSA-N;95.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99986;MM99986;Cn1cccc1N;JWUNKWDORORNKY-UHFFFAOYSA-N;96.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99987;MM99987;Cn1cccc1O;BIHFUWCZQLDCIB-UHFFFAOYSA-N;97.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99988;MM99988;Cn1cccc1F;NSQAKTAUFIVOQC-UHFFFAOYSA-N;99.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99989;MM99989;Cc1cccn1N;IZIIIJKMXYHEEQ-UHFFFAOYSA-N;96.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99990;MM99990;Nc1cccn1N;HYZMIFJWGFTUTP-UHFFFAOYSA-N;97.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99991;MM99991;Nn1cccc1O;UZWOLTUADDFZLO-UHFFFAOYSA-N;98.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99992;MM99992;Nn1cccc1F;VSIPYQRNITVSHM-UHFFFAOYSA-N;100.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99993;MM99993;Cc1cccn1O;QMZPJMOGQVHRDA-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99994;MM99994;Nc1cccn1O;PEFMFOVTCOPEJN-UHFFFAOYSA-N;98.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99995;MM99995;Oc1cccn1O;GUMHIQSZHCYMSN-UHFFFAOYSA-N;99.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99996;MM99996;On1cccc1F;AIONQROVRQVPIQ-UHFFFAOYSA-N;101.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99997;MM99997;N=C(NC=O)N(O)C=NO;NOGAIMRORHYFIG-UHFFFAOYSA-N;146.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99998;MM99998;Cn1cncc1F;MRLNBBIXIAJXHE-UHFFFAOYSA-N;100.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM99999;MM99999;Nn1cncc1O;GOXJPDQWSMQNOI-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100000;MM100000;Nn1cncc1F;MICFNNWNJJKEHY-UHFFFAOYSA-N;101.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100001;MM100001;CC(F)C(=O)NN=CNN;WZFSSOHZQVFIHW-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100002;MM100002;N#CC(O)(CF)C(=N)NO;PCCDKYVLQVYZKI-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100003;MM100003;Cn1ccnc1N;NQCJWEXYVVFKBT-UHFFFAOYSA-N;97.12;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100004;MM100004;C=CN(N)C(C=CF)=NO;KMNAQVAGMZGQAX-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100005;MM100005;Cc1c(O)c[nH]c1N;ZKYMGNMDSIELOV-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100006;MM100006;CCC(=N)NC(=O)NO;VWLDCRYYXVHORT-UHFFFAOYSA-N;131.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100007;MM100007;Oc1nccn1O;KUERBWLVQJAKIS-UHFFFAOYSA-N;100.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100008;MM100008;Cc1nncn1C;QBDXSEYWEKKYSH-UHFFFAOYSA-N;97.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100009;MM100009;C=NOC(=NO)C(=N)N;RZPVTNRQBOIUNL-UHFFFAOYSA-N;130.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100010;MM100010;Cc1nncn1N;ZIXVQYBDSTZZTH-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100011;MM100011;Nc1[nH]c(N)c(O)c1O;LAOMWLVTRPRVMQ-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100012;MM100012;Cc1nncn1O;XOAGROBBPCSVPN-UHFFFAOYSA-N;99.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100013;MM100013;Nc1nncn1O;QWXLXOGHXHUTMP-UHFFFAOYSA-N;100.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100014;MM100014;Cc1[nH]nc(O)c1C;CMTNHTJUNZPFMW-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100015;MM100015;Cc1ccnn1C;LSZQMSSIUQNTDX-UHFFFAOYSA-N;96.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100016;MM100016;Cn1nccc1N;JESRNIJXVIFVOV-UHFFFAOYSA-N;97.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100017;MM100017;CN=c1cc(O)nnn1N;JEGPJKZDEMITQO-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100018;MM100018;Cn1nccc1F;HRPGIUQCVKHIHK-UHFFFAOYSA-N;100.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100019;MM100019;Cc1ccnn1N;QWQCJKIQMKXMNQ-UHFFFAOYSA-N;97.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100020;MM100020;Nc1ccnn1N;CIIJXXHLNFBJDB-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100021;MM100021;Nn1cc(O)c(=O)n1O;HDJFVMJQGWISOM-UHFFFAOYSA-N;131.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100022;MM100022;Nn1nccc1F;VOBDNQLYUVFRGR-UHFFFAOYSA-N;101.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100023;MM100023;Cc1ccnn1O;NYYQZMBHDDRMOJ-UHFFFAOYSA-N;98.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100024;MM100024;Nc1ccnn1O;VKDFRRDWAWKMEG-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100025;MM100025;COc1cn(N)n(O)c1=O;YCFBGDWEAISEOK-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100026;MM100026;CCc1cnn(C=N)c1O;VAQNBUYNMGBDPB-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100027;MM100027;Cc1cnnn1C;QDKDCMQRAKMBPF-UHFFFAOYSA-N;97.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100028;MM100028;Cn1nncc1N;LUMJHBSNEYGPRV-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100029;MM100029;N=c1c(=O)n(O)ccn1N;ICVWGWGIHZAIKM-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100030;MM100030;Cn1nncc1F;WQUZYDVXGUDBPV-UHFFFAOYSA-N;101.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100031;MM100031;Cc1cnnn1N;HCEKEODXLSQFDV-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100032;MM100032;Nc1cnnn1N;GRVBADTYFYKTKT-UHFFFAOYSA-N;99.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100033;MM100033;N#CC1=CC(=O)OC1;XHPHPNLHJJVTBM-UHFFFAOYSA-N;109.08;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100034;MM100034;Nn1nncc1F;BSDSTZGBAPYOCM-UHFFFAOYSA-N;102.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100035;MM100035;Cc1ccn(O)c(=O)c1F;VKNHFOJVTVKQIV-UHFFFAOYSA-N;143.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100036;MM100036;N#CC(=NO)NC(=O)CO;UAFWAQKZBXSLBG-UHFFFAOYSA-N;143.1;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100037;MM100037;Cc1ncnn1C;FRAKGJKEMLMXMD-UHFFFAOYSA-N;97.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100038;MM100038;Cn1ncnc1N;XBTDXUGMCUNQDP-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100039;MM100039;Cc1ncnn1N;ZXPOBOLYLVRCTK-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100040;MM100040;Nn1ccccc1=NO;NUQBYSOFFAHSPC-UHFFFAOYSA-N;125.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100041;MM100041;Cc1c(O)n(O)cnc1=O;XWWVBLSTFJBOLW-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100042;MM100042;Cc1nnnn1C;HWHNFJYQDMSYAF-UHFFFAOYSA-N;98.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100043;MM100043;CCCC(=N)NC(=O)NO;YPABUAYCCZTKEG-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100044;MM100044;CC(=NO)C(=O)C(F)F;NFKUSIOCFFCDFZ-UHFFFAOYSA-N;137.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100045;MM100045;Cc1nnnn1N;UBKDRHNSFRBYMS-UHFFFAOYSA-N;99.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100046;MM100046;C=COC(=NO)C(C)=CN;DWHCIYNKMQORRD-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100047;MM100047;COCC(=NO)C(=O)NO;DZFYURGPYZKOTM-UHFFFAOYSA-N;148.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100048;MM100048;Nc1nc(O)no1;PKTPIMKQCMJMAF-UHFFFAOYSA-N;101.07;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100049;MM100049;COc1nc(O)c(F)[nH]1;RGNXZGJMHHNMIL-UHFFFAOYSA-N;132.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100050;MM100050;N#CCCC(CF)=NO;BMPTVCPIXHVAED-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100051;MM100051;C=C1C=CC=C1C;YNFFKFCAFJYGRA-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100052;MM100052;C=C1C=CC=C1F;JJFPUYRNANXHTL-UHFFFAOYSA-N;96.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100053;MM100053;CC1=CC=CC1=O;LYYZLRGLZHSYLN-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100054;MM100054;O=C1C=CC=C1F;ZGLZNBZXAVHOQN-UHFFFAOYSA-N;98.08;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100055;MM100055;CC1=CN=CC1=O;PMJLPJUFLSWOPD-UHFFFAOYSA-N;95.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100056;MM100056;O=C1C=NC=C1F;NXIPMSOJLXQXDQ-UHFFFAOYSA-N;99.06;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100057;MM100057;CC1=NC=CC1=O;MGCWHJYYVJQALX-UHFFFAOYSA-N;95.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100058;MM100058;C=C1C=NN=C1C;IXTXYUOPTRWYSH-UHFFFAOYSA-N;94.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100059;MM100059;CC1=NN=CC1=O;ROCAUTSAJBIPFW-UHFFFAOYSA-N;96.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100060;MM100060;CC1=CC=NC1=N;KVSHUTXNBDEUER-UHFFFAOYSA-N;94.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100061;MM100061;N=C1C=CNC1=N;BDNDMMCJGYOCBJ-UHFFFAOYSA-N;95.11;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100062;MM100062;N=C1N=CC=C1F;MZSCVGYIEBRPFC-UHFFFAOYSA-N;98.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100063;MM100063;CC1=CC=NC1=O;IUMGVEAXGSKRBP-UHFFFAOYSA-N;95.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100064;MM100064;CCOC(=NNC=O)NN;YTZZISGAXPGXBH-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100065;MM100065;O=C1N=CC=C1F;YGTJTYGHUZURDZ-UHFFFAOYSA-N;99.06;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100066;MM100066;CC1=NC=NC1=N;QJGDKDQRRURDKB-UHFFFAOYSA-N;95.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100067;MM100067;CC1=NC=NC1=O;DMSIQWNKJSELSK-UHFFFAOYSA-N;96.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100068;MM100068;CC1=CCC=C1C;MIUBPLNYRNFHLG-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100069;MM100069;CC1=CCC=C1F;FJRZYDKPMJHJCR-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100070;MM100070;FC1=CCC=C1F;AHEYAXKZLGJXKI-UHFFFAOYSA-N;102.08;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100071;MM100071;Cc1c[nH]cc1C;OJFOWGWQOFZNNJ-UHFFFAOYSA-N;95.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100072;MM100072;CC(=N)NC(=O)NO;SWDXTGXRPWTUCE-UHFFFAOYSA-N;117.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100073;MM100073;Cc1c[nH]cc1F;HJGKSRPOSSNHQN-UHFFFAOYSA-N;99.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100074;MM100074;CN=c1nncnc(=N)[nH]1;GWBVROZOPBNGKK-UHFFFAOYSA-N;138.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100075;MM100075;Nc1c[nH]cc1O;REIULBWZFKPEFS-UHFFFAOYSA-N;98.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100076;MM100076;Nc1c[nH]cc1F;IAFFWDMAWUTPGM-UHFFFAOYSA-N;100.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100077;MM100077;Fc1c[nH]cc1F;BMJOPWQYDZAFDZ-UHFFFAOYSA-N;103.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100078;MM100078;Cc1cocc1C;IVHPMIPYSOTYNM-UHFFFAOYSA-N;96.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100079;MM100079;Cc1cocc1N;UEIWKVBIMYXNGL-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100080;MM100080;Cc1cocc1F;ULVBYDRGYGQBGA-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100081;MM100081;Nc1cocc1N;SYMAEXJCESFOLG-UHFFFAOYSA-N;98.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100082;MM100082;Nc1cocc1F;RCWLCBRVFFCCQX-UHFFFAOYSA-N;101.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100083;MM100083;Fc1cocc1F;OPLMXQZLGOIYES-UHFFFAOYSA-N;104.06;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100084;MM100084;Cn1oc(=O)c(=NO)n1N;VNJDTAYQDSQIDF-UHFFFAOYSA-N;146.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100085;MM100085;Nn1ccc(=O)c(=NO)o1;NHYOCKCCDPVRMX-UHFFFAOYSA-N;143.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100086;MM100086;Cc1ccn(N)c(=NO)c1;UXNCVCVRGPLGPS-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100087;MM100087;CN(C=N)N=CC=NO;RGLOVRQHSJLOIX-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100088;MM100088;CC(F)(F)CC(CO)=NO;MBIJKBUNOOXFBE-UHFFFAOYSA-N;153.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100089;MM100089;Cc1[nH]ncc1F;OFPLNBAFXLMBEM-UHFFFAOYSA-N;100.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100090;MM100090;Fc1c[nH]nc1F;MBHOIRVCRKWHSG-UHFFFAOYSA-N;104.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100091;MM100091;Cc1conc1C;AKUSZFPCJFNRSZ-UHFFFAOYSA-N;97.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100092;MM100092;Cc1conc1F;WAQJUKFGEKWAJV-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100093;MM100093;NN=c1[nH]cc(F)n1O;DDNZDPRTTTZMHR-UHFFFAOYSA-N;132.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100094;MM100094;Nc1conc1F;PEHHQWJIUXWZQT-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100095;MM100095;COCC(CC(F)F)=NO;IEAKKCJRSYRHRG-UHFFFAOYSA-N;153.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100096;MM100096;Cc1nocc1F;OHLZCVLOQWZNRS-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100097;MM100097;Fc1conc1F;YOKYNKHHSZAJHA-UHFFFAOYSA-N;105.04;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100098;MM100098;Cc1n[nH]nc1C;VALUMXGSLBMNES-UHFFFAOYSA-N;97.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100099;MM100099;Fc1n[nH]nc1F;CASLODPASFGEDN-UHFFFAOYSA-N;105.05;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100100;MM100100;Cc1nonc1C;JKJSZGJVBAWEFB-UHFFFAOYSA-N;98.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100101;MM100101;Cc1nonc1F;ODFLJYXFLGPPEU-UHFFFAOYSA-N;102.07;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100102;MM100102;Fc1nonc1F;KYUFTRCLAXDSNQ-UHFFFAOYSA-N;106.03;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100103;MM100103;CC1=C(C)CCC1;SZZWLAZADBEDQP-UHFFFAOYSA-N;96.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100104;MM100104;CC1=C(F)CCC1;GPXLWSVMNCQBOL-UHFFFAOYSA-N;100.14;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100105;MM100105;FC1=C(F)CCC1;ZOSXIJGMHQZWBZ-UHFFFAOYSA-N;104.1;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100106;MM100106;CC1=C(C)CNC1;MNCSOJLNXISMOS-UHFFFAOYSA-N;97.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100107;MM100107;CC1=C(F)CNC1;YANHMPUZVUGKJK-UHFFFAOYSA-N;101.12;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100108;MM100108;CC1=C(C)COC1;MWXJLTQABGVNHS-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100109;MM100109;CC1=C(F)COC1;HHTSBPRHAFYOCE-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100110;MM100110;FC1=C(F)COC1;JCZHGVKRJVAJBR-UHFFFAOYSA-N;106.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100111;MM100111;CC1=C(C)OCC1;JKHBEWLCMFXCFW-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100112;MM100112;CC1=C(F)CCO1;GPJJBMCZUTZCNL-UHFFFAOYSA-N;102.11;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100113;MM100113;CC1=C(C)OCO1;TVGGZQXYTIPHSN-UHFFFAOYSA-N;100.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100114;MM100114;CC1=C(C)CC=C1;RYILSJIMFKKICJ-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100115;MM100115;CC1=C(F)C=CC1;MMIQKLKUNJRSTE-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100116;MM100116;CC1=C(F)CC=C1;ONMQJVGLZXMYES-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100117;MM100117;FC1=C(F)CC=C1;YTCFOGFQDSLLLN-UHFFFAOYSA-N;102.08;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100118;MM100118;Cc1cc[nH]c1C;OUYLXVQKVBXUGW-UHFFFAOYSA-N;95.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100119;MM100119;CNn1cnc(C)c1O;QAERFPMOGCXZRB-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100120;MM100120;Cc1[nH]ccc1F;MXIHPZOKYBFKOE-UHFFFAOYSA-N;99.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100121;MM100121;Cc1ccc(=NO)n(N)c1;SRALWBHQVOGARA-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100122;MM100122;Nc1[nH]ccc1O;BETJNFFEZHRCLK-UHFFFAOYSA-N;98.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100123;MM100123;Cc1cccn(N)c1=NO;XGCUJONZLKXDIO-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100124;MM100124;Cc1cc[nH]c1O;NRAPZKSMXOEPES-UHFFFAOYSA-N;97.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100125;MM100125;Nc1cc[nH]c1O;BRPDQQXSVIXXPA-UHFFFAOYSA-N;98.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100126;MM100126;Oc1cc[nH]c1O;ZBWXTIWHVVWTKU-UHFFFAOYSA-N;99.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100127;MM100127;Oc1[nH]ccc1F;YPVVHFXDYXUMLF-UHFFFAOYSA-N;101.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100128;MM100128;Cc1cc[nH]c1F;YYEFRUCFXNAUOV-UHFFFAOYSA-N;99.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100129;MM100129;Nc1cc[nH]c1F;CORBEYROHQQLKD-UHFFFAOYSA-N;100.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100130;MM100130;Fc1cc[nH]c1F;UXPRZZZNGFVXRR-UHFFFAOYSA-N;103.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100131;MM100131;CCc1cc(=NN)o[nH]1;RUBMWTIWBRTBKI-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100132;MM100132;Cn1c(=NO)[nH]n(O)c1=O;KCMNBBIEFFZVCX-UHFFFAOYSA-N;146.11;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100133;MM100133;ON=CC(O)C#CCCF;UYMONXGQNKOIBL-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100134;MM100134;Cc1[nH]cnc1O;UGZDZSOMKGGBIG-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100135;MM100135;CC(C=O)C(=O)C1CN1;YVRYDXJJMPCZSI-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100136;MM100136;CCCc1cc(=NN)o[nH]1;BOEWRJGQTINMLU-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100137;MM100137;Cn1c(=NO)c(N)cn1N;HSZFIVCXDXNHEO-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100138;MM100138;CNC(=O)C(C#N)C=NO;ABXQPJMGJRVLBL-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100139;MM100139;Cc1nn[nH]c1C;VALUMXGSLBMNES-UHFFFAOYSA-N;97.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100140;MM100140;Cc1nn[nH]c1N;QAHJJQGHAWTUQU-UHFFFAOYSA-N;98.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100141;MM100141;CCn1nnc(=NO)n1N;UVLYPMTXGVMCBV-UHFFFAOYSA-N;144.14;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100142;MM100142;C=CC(O)C(F)C=NO;PQPKJMSFQGWOLK-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100143;MM100143;Nc1c(O)oc(=O)n1N;USWLYOWZAOZLBD-UHFFFAOYSA-N;131.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100144;MM100144;CC(C)=NOC(CO)=NO;NJFNMUVSVBMSTQ-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100145;MM100145;C=Nn1nc(O)ccc1=N;ADWVFGXZACGOHN-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100146;MM100146;N=c1[nH]c(=O)nc(O)n1N;WOGPLSSLAHFCBB-UHFFFAOYSA-N;143.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100147;MM100147;Nc1nn[nH]c1F;UDYYEQBUJOUIQX-UHFFFAOYSA-N;102.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100148;MM100148;Cc1[nH]c(=N)oc1F;MZAPAYMPOHLOHK-UHFFFAOYSA-N;116.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100149;MM100149;Cn1c(F)c(O)c(O)c1F;NCLQJCJFFOTFSV-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100150;MM100150;Cc1ccoc1C;FJSKXQVRKZTKSI-UHFFFAOYSA-N;96.13;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100151;MM100151;Cc1occc1N;QXXODPKJCLPZFU-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100152;MM100152;Cc1occc1F;NTGXPVROXFAVEB-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100153;MM100153;Cc1ccoc1N;MCPMNXZGOUILIG-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100154;MM100154;Nc1ccoc1N;XBOHKUPCELBZPH-UHFFFAOYSA-N;98.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100155;MM100155;Nc1occc1F;CNQLTGWYZXQZHZ-UHFFFAOYSA-N;101.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100156;MM100156;Nc1ccoc1O;RCFVFJCENHBMQW-UHFFFAOYSA-N;99.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100157;MM100157;N#CCC(=O)N(O)CC#N;ZTXXDLRGJZIQMX-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100158;MM100158;Cc1ccoc1F;POEPPHOFVOQOPH-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100159;MM100159;Nc1ccoc1F;GHIYZUUYHKJKGO-UHFFFAOYSA-N;101.08;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100160;MM100160;NC(=O)N(O)C(C=O)C=O;BDHJQITXWSSYRN-UHFFFAOYSA-N;146.1;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100161;MM100161;Fc1ccoc1F;MBWBGHKPSYKARJ-UHFFFAOYSA-N;104.06;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100162;MM100162;Cc1cnoc1C;BSWGZCMLNFBDEZ-UHFFFAOYSA-N;97.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100163;MM100163;Cc1oncc1N;QGMHRTDVNDXDBB-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100164;MM100164;Cc1oncc1F;JWLGDVIQHWTPDA-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100165;MM100165;Cc1c[nH]oc1=N;DRSFITWDQGANTM-UHFFFAOYSA-N;98.11;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100166;MM100166;N=c1o[nH]cc1N;SWBKMPHNYMUYMK-UHFFFAOYSA-N;99.09;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100167;MM100167;Cc1nn(C)nc(O)c1=O;GZFFVMTYDNVPGJ-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100168;MM100168;NN=c1oc(=O)[nH]nc1F;MTSMHEJMUMJVNH-UHFFFAOYSA-N;146.08;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100169;MM100169;Nc1nc(F)oc1O;ZWYLJMSGKWGAAS-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100170;MM100170;Oc1ncn(O)n1;SZONGYCUODSNHH-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100171;MM100171;Cc1cnoc1F;RQNCOVUJOSPONZ-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100172;MM100172;CC(=O)NC(=N)ON=CN;GMODWDZRQBCHJR-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100173;MM100173;O=CNc1coc(O)c1;BKDALRZCEHJWJP-UHFFFAOYSA-N;127.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100174;MM100174;Fc1cnoc1F;GKMLUOWKLFVKOC-UHFFFAOYSA-N;105.04;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100175;MM100175;Cc1ncoc1C;YVORRVFKHZLJGZ-UHFFFAOYSA-N;97.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100176;MM100176;CN(C=NN)NC(=O)NO;GNJKKBSKFPYIKP-UHFFFAOYSA-N;147.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100177;MM100177;Cc1ocnc1O;REUUWSBCFMUSKL-UHFFFAOYSA-N;99.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100178;MM100178;Cc1ocnc1F;GTOHTWAIABZCFT-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100179;MM100179;CC(O)C(=O)NN=CNN;KXCAGSVKGWSJRQ-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100180;MM100180;N=C(CF)NNC(=O)NO;NRGKQMDWBZKCQL-UHFFFAOYSA-N;150.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100181;MM100181;Nc1ocnc1O;MCCLZZNRPUANSL-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100182;MM100182;Nc1ocnc1F;OVLDHQCGDCUEEY-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100183;MM100183;OC=Cc1ccco1;KXYUGMZGJQWOMY-UHFFFAOYSA-N;110.11;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100184;MM100184;Cc1occ(F)c1O;IGGYBYASGQIDIQ-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100185;MM100185;Nc1coc(O)c1F;BTMQAAJGALXCAP-UHFFFAOYSA-N;117.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100186;MM100186;Cc1ncoc1F;BHHFJLLRYPYFML-UHFFFAOYSA-N;101.08;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100187;MM100187;Nc1ncoc1F;HGVIQHLRNZWZIT-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100188;MM100188;Fc1ncoc1F;SESYUXZUKFVNMH-UHFFFAOYSA-N;105.04;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100189;MM100189;Cc1nnoc1C;HZERBXHWUGFMHW-UHFFFAOYSA-N;98.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100190;MM100190;Cc1onnc1N;PSVVTXRFDNVMNB-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100191;MM100191;CN(O)C(=O)C(CO)=NO;PELVDPQSIYPQOP-UHFFFAOYSA-N;148.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100192;MM100192;Cc1onnc1F;XAOLTWBHTBJPHR-UHFFFAOYSA-N;102.07;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100193;MM100193;Cc1nnoc1N;HIBZBNPUVLRIIF-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100194;MM100194;Cn1cc(CO)[nH]c1=NO;HEJBFMRQHHAYCF-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100195;MM100195;O=c1[nH]oc(=NC2CC2)[nH]1;UTFFVMMPIQIAKM-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100196;MM100196;Nc1onnc1F;ZXVQPRXWJWCWKO-UHFFFAOYSA-N;103.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100197;MM100197;CC(=O)C#CC(C=O)=NO;AEUPADPCXJQKOK-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100198;MM100198;O=c1[nH]c(=NO)n(O)n1O;SCZTUZASIUMDRZ-UHFFFAOYSA-N;148.08;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100199;MM100199;CC(=NO)C(O)C(F)=CF;OGOWDAIVFVUSOG-UHFFFAOYSA-N;151.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100200;MM100200;C#CC(C)(C#N)C=NO;JXIIMSNMPKEABQ-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100201;MM100201;Cc1nnoc1F;IEIRRODJEAOALF-UHFFFAOYSA-N;102.07;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100202;MM100202;Nc1nnoc1F;MLPPOZTXLPDPAA-UHFFFAOYSA-N;103.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100203;MM100203;OCCC(O)C(F)C=NO;UJAMYFNWHBCHNQ-UHFFFAOYSA-N;151.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100204;MM100204;Fc1nnoc1F;FBQGHUXLDHAKQH-UHFFFAOYSA-N;106.03;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100205;MM100205;CC1CC(C)C1C;AQIWLDRDUSDLFJ-UHFFFAOYSA-N;98.19;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100206;MM100206;CC1CC(N)C1C;XZPFAIMGISGWAP-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100207;MM100207;C=Cn1ncc(=NO)n1N;IXTXAHAARPDDRC-UHFFFAOYSA-N;141.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100208;MM100208;CC1CC(F)C1C;MKTOZWQHVOFEFG-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100209;MM100209;CC1C(N)CC1N;JGAZDCUIIBGIAC-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100210;MM100210;CC1C(N)CC1O;XBUQLTJSCHMBOK-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100211;MM100211;CC1C(N)CC1F;ZASIPIZPQKFFBH-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100212;MM100212;CC1C(O)CC1O;WURCECLRQBMYHM-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100213;MM100213;CC1C(O)CC1F;UQBDSPRTIBEQBT-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100214;MM100214;CC1C(F)CC1F;WPMBMUOEKPAGKF-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100215;MM100215;CC1CC(C)C1N;SLSNRUCULRAJBG-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100216;MM100216;CC1CC(N)C1N;FNUULAMKGYZPOZ-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100217;MM100217;CC1CC(O)C1N;LPNROLDHJCVCAK-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100218;MM100218;CC1CC(F)C1N;WGAMMKQIIRRVFI-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100219;MM100219;NC1CC(N)C1N;VAAXNHQCEYFPEN-UHFFFAOYSA-N;101.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100220;MM100220;NC1CC(O)C1N;CTQLDABSOQQVAZ-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100221;MM100221;NC1CC(F)C1N;SCPMZEYVOCXPNX-UHFFFAOYSA-N;104.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100222;MM100222;NC1C(O)CC1O;XRSPSLMIYRTMHA-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100223;MM100223;NC1C(O)CC1F;BGRJQYWFBLRZRX-UHFFFAOYSA-N;105.11;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100224;MM100224;Cn1c(CO)c[nH]c1=NO;GVIKSVFOFSQSRR-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100225;MM100225;CC1CC(N)C1O;YAKJFXYCDOTRLN-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100226;MM100226;CC1CC(O)C1O;MQPRWPYARBPQJW-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100227;MM100227;CC1CC(F)C1O;YCHFJXMNROENEH-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100228;MM100228;NC1CC(N)C1O;GXYCLSSAPUYEHL-UHFFFAOYSA-N;102.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100229;MM100229;NC1CC(O)C1O;ASZLGMVFADHXIG-UHFFFAOYSA-N;103.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100230;MM100230;OC1CC(F)C1O;BGRNICOJQYHPJR-UHFFFAOYSA-N;106.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100231;MM100231;OC1C(F)CC1F;UXLJHMVJZDAXOP-UHFFFAOYSA-N;108.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100232;MM100232;CC1CC(C)C1F;VWZQQANJQUXUAB-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100233;MM100233;CC1CC(N)C1F;ZQMRFFPYCRIEAD-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100234;MM100234;CC1CC(O)C1F;ULHLMRBDMZENCZ-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100235;MM100235;CC1CC(F)C1F;DNAPHDXPJJCGKY-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100236;MM100236;NC1CC(N)C1F;JNKMXQKBIPMHLG-UHFFFAOYSA-N;104.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100237;MM100237;NC1CC(F)C1F;JZJJCERXXDZOQJ-UHFFFAOYSA-N;107.1;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100238;MM100238;OC1CC(O)C1F;NZOHHZLXIRYSNV-UHFFFAOYSA-N;106.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100239;MM100239;CC1NC(C)C1C;VORCPLIWIWDGJM-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100240;MM100240;CC1NC(C)C1N;GPCRWIQEDVKMQL-UHFFFAOYSA-N;100.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100241;MM100241;CC1NC(C)C1O;OOQZLEBUONIKMY-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100242;MM100242;CC1OC(C)C1C;HTCOCLGRYILICZ-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100243;MM100243;CC1OC(C)C1N;PBRMPEKQCCUYCT-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100244;MM100244;CC1OC(C)C1O;XDNJOAUPDWFUBX-UHFFFAOYSA-N;102.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100245;MM100245;CC1OC(C)C1F;XPDRMAZNBNRLBX-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100246;MM100246;CC1CN(C)C1C;ACPFWOWRQMPDDM-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100247;MM100247;CC1C(N)CN1C;SMGYGIGNLQRMCS-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100248;MM100248;CC1C(F)CN1C;SIRCFNXAEYOHMA-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100249;MM100249;CC1CC(=O)C1C;GLVGZXHESDAIMP-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100250;MM100250;CC1C(=O)CC1O;FMLNJZIOJXFDKO-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100251;MM100251;CC1C(=O)CC1F;DRKXJHQURLFYGD-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100252;MM100252;CC1CC(=O)C1O;FQWWARHYBOBGOB-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100253;MM100253;O=C1CC(O)C1O;NJXUJEKDUUNJTB-UHFFFAOYSA-N;102.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100254;MM100254;O=C1CC(F)C1O;KBHNFRLLNAXPCL-UHFFFAOYSA-N;104.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100255;MM100255;O=C1CC(O)C1F;PCQAIEFAMVICFG-UHFFFAOYSA-N;104.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100256;MM100256;CC1NC(=O)C1C;HUCDNALJLARZTQ-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100257;MM100257;CC1NC(=O)C1O;VVKIIUOXHTYEIX-UHFFFAOYSA-N;101.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100258;MM100258;CC1NC(=O)C1F;QHIQZFBFWHXCAF-UHFFFAOYSA-N;103.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100259;MM100259;CC1OC(=O)C1C;IABBAPSDOJPBAF-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100260;MM100260;CC1OC(=O)C1O;SZMLOCIIOQWPDS-UHFFFAOYSA-N;102.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100261;MM100261;CC1OC(=O)C1F;BKKHAFYUDAKAQM-UHFFFAOYSA-N;104.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100262;MM100262;NN=CNNC(=O)NO;LPMUXBDEXGKAGF-UHFFFAOYSA-N;133.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100263;MM100263;CC1CC(=O)N1C;IYTPSDMCQSELPF-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100264;MM100264;CC1CC(=O)N1N;PAZHNMIIJZACRG-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100265;MM100265;CC1CC(C)C1=O;DJYHNXPUOPESJN-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100266;MM100266;CC1CC(O)C1=O;YCCFDYZUUAOAIG-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100267;MM100267;CC1CC(F)C1=O;MUBXFGXUDVTFLX-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100268;MM100268;O=C1C(O)CC1O;UIPZHPKFDVQCHG-UHFFFAOYSA-N;102.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100269;MM100269;O=C1C(O)CC1F;ZQBZMCJHTUSIGM-UHFFFAOYSA-N;104.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100270;MM100270;O=C1C(F)CC1F;PHXFUNKCMWICIY-UHFFFAOYSA-N;106.07;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100271;MM100271;N=CNC(=NO)OC=O;FHYHPRHXRPLHJM-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100272;MM100272;CC1OC(C)C1=O;WOGWOAMTZOVDIE-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100273;MM100273;CC1CN(C)C1=O;FQBVJCSQKHANSV-UHFFFAOYSA-N;99.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100274;MM100274;CC1CN(N)C1=O;HOGNPRUVLIRFSV-UHFFFAOYSA-N;100.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100275;MM100275;CN1CC(O)C1=O;PBMHLTRFOJIZSG-UHFFFAOYSA-N;101.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100276;MM100276;N=CNc1cc(F)[nH]n1;FCTPMRSJFSFHEU-UHFFFAOYSA-N;128.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100277;MM100277;CN1CC(F)C1=O;IOWFDDVWGSAUSG-UHFFFAOYSA-N;103.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100278;MM100278;CNN=CNNC(=O)NO;VXXAZNUOLKTDGY-UHFFFAOYSA-N;147.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100279;MM100279;CC12CCCC1C2;GVMYEQUFGUYMTP-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100280;MM100280;NC12CCCC1C2;RIVBTTWKPMJRMO-UHFFFAOYSA-N;97.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100281;MM100281;Cc1ncn(N)c1O;AANPXFUIDABUOI-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100282;MM100282;FC12CCCC1C2;GVWOFTBERBVVCS-UHFFFAOYSA-N;100.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100283;MM100283;CC12CNCC1C2;DHAYFFGRLUYHGO-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100284;MM100284;NC12CNCC1C2;LFBVRERINNDIEJ-UHFFFAOYSA-N;98.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100285;MM100285;OC12CNCC1C2;KREAKZAXWQHUJK-UHFFFAOYSA-N;99.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100286;MM100286;FC12CNCC1C2;HWHLKXWXORPROH-UHFFFAOYSA-N;101.12;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100287;MM100287;CC12COCC1C2;PGCCTPSLBUJNQP-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100288;MM100288;NC12COCC1C2;YXAQPSXYYWRYCX-UHFFFAOYSA-N;99.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100289;MM100289;OC12COCC1C2;CXNJXOMYFMQHSX-UHFFFAOYSA-N;100.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100290;MM100290;FC12COCC1C2;JTWUXIQHJJXKGA-UHFFFAOYSA-N;102.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100291;MM100291;CC12CCNC1C2;AZLSHWDHQKOIJH-UHFFFAOYSA-N;97.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100292;MM100292;OC12CCNC1C2;GXKWGIHOPSDJKG-UHFFFAOYSA-N;99.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100293;MM100293;FC12CCNC1C2;HSGXSCXNDUCFLX-UHFFFAOYSA-N;101.12;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100294;MM100294;NC12CCOC1C2;UHWRDTBBWVRZFH-UHFFFAOYSA-N;99.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100295;MM100295;CC12CC1CCN2;XZPWCENTJJQTLT-UHFFFAOYSA-N;97.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100296;MM100296;CC12CC1CCO2;KVRSVHVIULXRQH-UHFFFAOYSA-N;98.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100297;MM100297;CC12CC1OCO2;XKJZGVONXGLFQV-UHFFFAOYSA-N;100.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100298;MM100298;CC12CC1C=NN2;DMVPSUWXSVOZCL-UHFFFAOYSA-N;96.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100299;MM100299;CC12CC1N=CN2;YFVHQPPEUOAXTO-UHFFFAOYSA-N;96.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100300;MM100300;CC12CC1C=CO2;NQRBFXFBYJRSOL-UHFFFAOYSA-N;96.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100301;MM100301;CC12CC1C=NO2;DSUPAMIWKCJERS-UHFFFAOYSA-N;97.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100302;MM100302;CC12CC=CC1O2;STOVNZCPWDUYFS-UHFFFAOYSA-N;96.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100303;MM100303;CC12CC=NN1C2;VJKXXRKOYMRXEP-UHFFFAOYSA-N;96.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100304;MM100304;CCCC1CCC1;GAGITJRONXSBFC-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100305;MM100305;NCCC1CCC1;MGAPESYORZVKQD-UHFFFAOYSA-N;99.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100306;MM100306;Nc1nc(O)c(N)n1O;JTUWVYPJSDWHJO-UHFFFAOYSA-N;130.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100307;MM100307;FCCC1CCC1;MDUCQSUBMUXVNI-UHFFFAOYSA-N;102.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100308;MM100308;CCNC1CCC1;JPWYYRCELICUKE-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100309;MM100309;CCOC1CCC1;JPCBGVISUDCKTF-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100310;MM100310;CCCC1CNC1;AJLSDOXGTDKVBV-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100311;MM100311;NCCC1CNC1;LMDKYZLASPVWHX-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100312;MM100312;CCNC1CNC1;QLBGCEBVDMZPPN-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100313;MM100313;CCOC1CNC1;MIGAFYXADJBZDV-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100314;MM100314;CCCC1COC1;JYHQCSPKLMSAOQ-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100315;MM100315;NCCC1COC1;XBAKBGINYYVVNP-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100316;MM100316;CCNC1COC1;PKGRGAFKWPUUJW-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100317;MM100317;CCCC1CCN1;OGZXOVGUHFDHOO-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100318;MM100318;NCCC1CCN1;CXFMPXNUFJQZNT-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100319;MM100319;OCCC1CCN1;MKXFHIPYFJSPKX-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100320;MM100320;CCCC1CCO1;KJPUWZVESPGSAG-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100321;MM100321;NCCC1CCO1;UFNYTHZFYPQOIX-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100322;MM100322;OCCC1CCO1;FYWXEPBGKJLBFK-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100323;MM100323;CCCN1CCC1;LMACASLSRDMFIR-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100324;MM100324;OCCN1CCC1;ZVZDSUOAJCQVDF-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100325;MM100325;C=CCC1CCC1;KSAULQKVBKDNFQ-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100326;MM100326;O=CCC1CCC1;GBTLVTGTSKWGCQ-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100327;MM100327;N#CCC1CCC1;BWFYLNLITXLIGS-UHFFFAOYSA-N;95.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100328;MM100328;N=CNC1CCC1;RNLIJSCSBUVNAN-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100329;MM100329;CCC1CN1CC=NO;BNNRBUWCLPDYMY-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100330;MM100330;C=NNC1CCC1;MVAXHMJJSABKMP-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100331;MM100331;C=COC1CCC1;QLCCBKRRTJZZOE-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100332;MM100332;C=NOC1CCC1;XIJYFKASGLSZDT-UHFFFAOYSA-N;99.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100333;MM100333;C=CCC1CNC1;RXJXOVZCNNKSGW-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100334;MM100334;O=CCC1CNC1;WWMGHXIFPOPXSH-UHFFFAOYSA-N;99.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100335;MM100335;N#CCC1CNC1;DAKLTKIALMRNMH-UHFFFAOYSA-N;96.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100336;MM100336;N=CNC1CNC1;PPOZYDOMIPAPKT-UHFFFAOYSA-N;99.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100337;MM100337;C=NNC1CNC1;YNDDYHIOUXEHEZ-UHFFFAOYSA-N;99.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100338;MM100338;C=COC1CNC1;FALGSRWIGRPXPW-UHFFFAOYSA-N;99.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100339;MM100339;C=CCC1COC1;IMAWZHGMYBBRQZ-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100340;MM100340;O=CCC1COC1;AIFBKSGZBRGQJE-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100341;MM100341;N#CCC1COC1;LDVDJSCCYCAJSA-UHFFFAOYSA-N;97.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100342;MM100342;N=CNC1COC1;YUBAPODNYMGVQL-UHFFFAOYSA-N;100.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100343;MM100343;C=NNC1COC1;KMGMDERIMXMRMB-UHFFFAOYSA-N;100.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100344;MM100344;C=COC1COC1;HGPOSSCRYHVMJJ-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100345;MM100345;C=NOC1COC1;QXVWLVIXLRMEEA-UHFFFAOYSA-N;101.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100346;MM100346;C=CCC1CCN1;MDJPQJBJEXXHBV-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100347;MM100347;O=CCC1CCN1;LMHBADYRBJRPQR-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100348;MM100348;C=CCC1CCO1;PMLBVVZYTKMCLS-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100349;MM100349;O=CCC1CCO1;VRKBXGVCHFUJEU-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100350;MM100350;N#CCC1CCO1;FHGSBCFTVADUIO-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100351;MM100351;C=CCN1CCC1;KQWRILJSSKKQJM-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100352;MM100352;N#CCN1CCC1;SYJAYUXUKHRBID-UHFFFAOYSA-N;96.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100353;MM100353;N=CNN1CCC1;PUUAFRHYLXWUCT-UHFFFAOYSA-N;99.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100354;MM100354;C#CCC1CCC1;HDUAEOWIMMICMU-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100355;MM100355;C#CCC1CNC1;JUGWORXESDWGEC-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100356;MM100356;C#CCC1COC1;HQINVMXXAPFZPV-UHFFFAOYSA-N;96.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100357;MM100357;C#CCC1CCN1;DTSCUYNHFRFZQY-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100358;MM100358;C#CCC1CCO1;FLAASZXSYZAMQL-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100359;MM100359;CC=CC1CCC1;KBRBSPBRZAPROI-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100360;MM100360;FC=CC1CCC1;WRFXMBCPMXJYMB-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100361;MM100361;NN=CC1CCC1;GAZVZKBWOZOEFX-UHFFFAOYSA-N;98.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100362;MM100362;ON=CC1CCC1;RWMYUDNBCFAMJX-UHFFFAOYSA-N;99.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100363;MM100363;CC=CC1CNC1;AIBDIIORTLNHDZ-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100364;MM100364;CC=CC1COC1;NHOGNPSUSYAETG-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100365;MM100365;NN=CC1COC1;LEABIBTWPMCZHW-UHFFFAOYSA-N;100.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100366;MM100366;CC=CC1CCN1;WAZLENMSYXFEJE-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100367;MM100367;CC=CC1CCO1;GTKOIEXQTCZZIO-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100368;MM100368;NN=CC1CCO1;TZGCSXROGIRBPW-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100369;MM100369;CN=CN1CCC1;QRSZKMAHRGGDLJ-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100370;MM100370;NN=CN1CCC1;LMUFYZYKQFUWDJ-UHFFFAOYSA-N;99.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100371;MM100371;CN(N)C=NNC(=O)CO;GNMMKRGUEODOBY-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100372;MM100372;CC=NN1CCC1;XNYBAVKTINHEAU-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100373;MM100373;CC#CC1CCC1;LZYUSMVSZJOJOT-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100374;MM100374;CC#CC1CNC1;BVTLVUGIRJDUAL-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100375;MM100375;CC#CC1COC1;GBPFXVJNJYNAEZ-UHFFFAOYSA-N;96.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100376;MM100376;CC#CC1CCN1;SYLCVOQKBCBXRB-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100377;MM100377;CC#CC1CCO1;ZNAFJCSQAVNZOV-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100378;MM100378;CCCC1CC1C;SSOHKKMWPDYMSB-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100379;MM100379;CC1CC1CCN;WSRSPJKCIMNPIK-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100380;MM100380;CC(CN(C)CC=O)=NO;PIIYMRXBNTWPPK-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100381;MM100381;CC1CC1CCF;MFFLTMPNYKGGRC-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100382;MM100382;CCCC1CC1N;XNPZNZSQFBQSTE-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100383;MM100383;NCCC1CC1N;LWDBRCDYHJXRCQ-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100384;MM100384;NC1CC1CCO;DQKLTWONOBQGTD-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100385;MM100385;NC1CC1CCF;LHOHAENKEBOQFI-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100386;MM100386;CC(C)N(C)C(C=O)C=O;NYDNEYNYSXUGPW-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100387;MM100387;NCCC1CC1O;PQBZSXMPNMJAMO-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100388;MM100388;OCCC1CC1O;SUNUKPMZIKTWLU-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100389;MM100389;OC1CC1CCF;OILMCZVSIXYUTQ-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100390;MM100390;CCCC1CC1F;XYHUPGHERIRIMR-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100391;MM100391;NCCC1CC1F;MXFIPBRSQNLDTQ-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100392;MM100392;OCCC1CC1F;PEWVYEGEWZCARI-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100393;MM100393;FCCC1CC1F;YQEXNQBSGWUIBC-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100394;MM100394;CNCC1CC1C;VMVQWPJUETYXCM-UHFFFAOYSA-N;99.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100395;MM100395;CNCC1CC1N;LKKRDQKCVSINMU-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100396;MM100396;CNCC1CC1O;PWDJIHWXRSVRRH-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100397;MM100397;CNCC1CC1F;PSKWQLMUSCBMNS-UHFFFAOYSA-N;103.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100398;MM100398;COCC1CC1C;UJUYWUHAFZCONO-UHFFFAOYSA-N;100.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100399;MM100399;COCC1CC1N;QFUWGKZFJBYYGC-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100400;MM100400;COCC1CC1O;JAEJAAYCMZPJCG-UHFFFAOYSA-N;102.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100401;MM100401;COCC1CC1F;VNMVLYCCVCDDHH-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100402;MM100402;CCNC1CC1C;AMBSJHNGFQSKGH-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100403;MM100403;CCNC1CC1N;MLWNDCRTGCUMNN-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100404;MM100404;CCNC1CC1O;RELVBTRQCKAPCN-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100405;MM100405;CCNC1CC1F;DMXDKVRIJMNSLW-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100406;MM100406;CCOC1CC1C;NGYOIIKMXADFKD-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100407;MM100407;CCOC1CC1N;YLZLFVHVXAGPLZ-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100408;MM100408;CCOC1CC1O;YPOUWFXIXWWIJJ-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100409;MM100409;CCOC1CC1F;OEXIBOJMLROLDH-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100410;MM100410;CC1NC1CCN;SRXLOUKEYBNSIT-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100411;MM100411;CNCC1NC1C;PNKQJMVMXJPLSY-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100412;MM100412;CCCC1OC1C;LIESJAYIOKBLIL-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100413;MM100413;CC1OC1CCN;BBJQZHLTGAQQBO-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100414;MM100414;CC1OC1CCO;OXZLFECMTPZVNH-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100415;MM100415;CC1OC1CCF;WUNSNWGEPJHPLT-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100416;MM100416;CNCC1OC1C;VJSJLDYCCKKUGE-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100417;MM100417;COCC1OC1C;AKHOMSOLYZQWKM-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100418;MM100418;CN1CC1CCN;ROLCFJVGFYARKE-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100419;MM100419;C=NN(C=NO)C(=N)NO;UZOOHZLPRCIAJU-UHFFFAOYSA-N;145.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100420;MM100420;CN1CC1CCF;XEDNMMSWBPNETO-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100421;MM100421;CNCC1CN1C;URYLHWMGZPWDNS-UHFFFAOYSA-N;100.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100422;MM100422;COCC1CN1C;BEQFZNOIACUWDW-UHFFFAOYSA-N;101.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100423;MM100423;CC1CN1CCN;GXGFCNGGJLTRJB-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100424;MM100424;COCC(=O)NN=CNN;FVBWZWKQQJPFSI-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100425;MM100425;CC1CN1CCF;GVZGZWXQYFCNJI-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100426;MM100426;C=CCC1CC1C;GOCAZFDTNJXFHG-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100427;MM100427;C=CCC1CC1N;IDGVOSCRLHCQID-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100428;MM100428;Nc1ccn(N)c(=NO)c1;UAUNTAXJUJFGGF-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100429;MM100429;O=CCC1CC1O;KWXBWAJTMYSFQJ-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100430;MM100430;N#CCC1CC1O;ZEAMVWWMTCUKFU-UHFFFAOYSA-N;97.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100431;MM100431;C=CCC1CC1F;NTBNKQDNOUQVJO-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100432;MM100432;O=CCC1CC1F;LQXSGQXLCZIBKD-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100433;MM100433;N#CCC1CC1F;QCLDPMZUROQXNP-UHFFFAOYSA-N;99.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100434;MM100434;CC1CC1NC=N;ZSYSYPRMNLRPKR-UHFFFAOYSA-N;98.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100435;MM100435;Nc1ccc(=NO)n(N)c1;PESSNHAZQCUGNL-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100436;MM100436;N=CNC1CC1N;MPDJWQFDBLBJSR-UHFFFAOYSA-N;99.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100437;MM100437;NC1CC1NC=O;PPGPVIKKEDNEMX-UHFFFAOYSA-N;100.12;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100438;MM100438;N=CNC1CC1O;LOLLQDRVBIAJDI-UHFFFAOYSA-N;100.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100439;MM100439;O=CNC1CC1O;SUBZTNUBIUPGHH-UHFFFAOYSA-N;101.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100440;MM100440;N=CNC1CC1F;HMHPWQPHISTJBE-UHFFFAOYSA-N;102.11;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100441;MM100441;O=CNC1CC1F;ORJCJIZRLXXIIS-UHFFFAOYSA-N;103.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100442;MM100442;C=NNC1CC1C;RHMJSYAETNZDHO-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100443;MM100443;C=NNC1CC1N;GGKKYSAGHASKLB-UHFFFAOYSA-N;99.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100444;MM100444;N=CNC(=O)NNC=O;FLPIGXOGQZDZDJ-UHFFFAOYSA-N;130.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100445;MM100445;C=NNC1CC1F;JEABPHOXKNNKRQ-UHFFFAOYSA-N;102.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100446;MM100446;C=COC1CC1C;WBCPJRIOCTUCOE-UHFFFAOYSA-N;98.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100447;MM100447;CC1CC1OC=O;FUCGXKKFYOMDID-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100448;MM100448;C=COC1CC1N;RBVOZKJZDHCWEP-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100449;MM100449;NC1CC1OC=O;PDMKVNKZLWEXIZ-UHFFFAOYSA-N;101.11;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100450;MM100450;C=COC1CC1O;ZBCUCDJOYDIOQW-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100451;MM100451;O=COC1CC1O;CXGSXMLTDVZDLW-UHFFFAOYSA-N;102.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100452;MM100452;C=COC1CC1F;NHUQCKKLRCCLMA-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100453;MM100453;O=COC1CC1F;UKEKPVHMWUWVTO-UHFFFAOYSA-N;104.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100454;MM100454;C=NOC1CC1C;ZTIFHHRAIUMLKI-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100455;MM100455;C=NOC1CC1N;YHLIKCDIIJQBQO-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100456;MM100456;C=C1C(=O)NNC1=NC;AHTXQNKEIWXKAQ-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100457;MM100457;C=NOC1CC1F;NUYCJOIQNLIKCW-UHFFFAOYSA-N;103.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100458;MM100458;CC1NC1CC#N;SLCCMPHHSNOHKL-UHFFFAOYSA-N;96.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100459;MM100459;C=CCC1OC1C;XZYFHFYPGVWYDB-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100460;MM100460;CC1OC1CC=O;GTYMNCLVGSIKMM-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100461;MM100461;CC1OC1CC#N;SWDMDPXWKJUIIF-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100462;MM100462;Cn1ccc(=NO)n1C;ZOHHDKWJEDSUHP-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100463;MM100463;C=CCN1CC1C;WXYHSQQTJYZSMZ-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100464;MM100464;CCC(CN1CC1)=NO;YUMFPYCCTCOKSF-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100465;MM100465;CC1CN1NC=N;YYEVSVATDHKCIL-UHFFFAOYSA-N;99.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100466;MM100466;CC1CN1NC=O;FFBFLMHZBGANIL-UHFFFAOYSA-N;100.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100467;MM100467;C#CCC1CC1N;TWOJKQLVHVTJLU-UHFFFAOYSA-N;95.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100468;MM100468;N#CCONC(=N)C=NO;ZOFCSANAXXLKHL-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100469;MM100469;C#CCC1CC1F;QOKAZBCOAHIIEY-UHFFFAOYSA-N;98.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100470;MM100470;C#CCC1OC1C;XVYTUIHMSBXABP-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100471;MM100471;C#CCC1CN1C;LPKFIMRERLYIGZ-UHFFFAOYSA-N;95.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100472;MM100472;CC=CC1CC1C;LNAVSCYUHFMDNS-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100473;MM100473;CC1CC1C=CF;JHONUJCIOFEBIK-UHFFFAOYSA-N;100.14;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100474;MM100474;CC=CC1CC1N;LWVNXXOYJBVVHD-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100475;MM100475;NC1CC1C=CF;PGUYDKBZLAGVMZ-UHFFFAOYSA-N;101.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100476;MM100476;Nc1cccc(=NO)n1N;PERXXDWGMOWQNL-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100477;MM100477;OC1CC1C=CF;NWUWEFDGFBFHOR-UHFFFAOYSA-N;102.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100478;MM100478;CC=CC1CC1F;DFHJMTLVTJMKGN-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100479;MM100479;FC=CC1CC1F;GJNYGTKIXFMVTO-UHFFFAOYSA-N;104.1;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100480;MM100480;CC1CC1C=NO;ZFPKLFIHZKPGJZ-UHFFFAOYSA-N;99.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100481;MM100481;NC1CC1C=NO;FMOGGJPZDGBURC-UHFFFAOYSA-N;100.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100482;MM100482;N=c1[nH]cc(N=O)n1O;KJKGAYFTTSBQAT-UHFFFAOYSA-N;128.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100483;MM100483;ON=CC1CC1O;RJFIZPLUWFIXHW-UHFFFAOYSA-N;101.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100484;MM100484;NN=CC1CC1F;KSEHWJOPJAPVCW-UHFFFAOYSA-N;102.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100485;MM100485;ON=CC1CC1F;GHPWANGUOHVVAZ-UHFFFAOYSA-N;103.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100486;MM100486;CC1NC1C=NN;OXRAGUBEYIPCOD-UHFFFAOYSA-N;99.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100487;MM100487;N=C1C(=NO)N=CN1N;PINKTQSMQITNJW-UHFFFAOYSA-N;127.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100488;MM100488;CC=CC1OC1C;BOVGSYBYODIBGS-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100489;MM100489;CC1OC1C=CF;VWBXKZFNSASYTM-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100490;MM100490;CC1OC1C=NN;ABOWAZDGXGTBQL-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100491;MM100491;CC=CC1CN1C;NDMOKKZNLONPTH-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100492;MM100492;CN1CC1C=CF;ZTVJHPICLLSUEL-UHFFFAOYSA-N;101.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100493;MM100493;CN1CC1C=NN;RXWZRHLPWHDRPB-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100494;MM100494;CN1CC1C=NO;FAIRWKLMLCWOEH-UHFFFAOYSA-N;100.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100495;MM100495;CN=CN1CC1C;KECGOQWWDDGTCF-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100496;MM100496;CC(=NO)C(C)N1CC1;ZEGDQNIHASBCQQ-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100497;MM100497;CC=NN1CC1C;OHKXSHLYPXJGIE-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100498;MM100498;CC#CC1CC1C;XHWMMTFRNUJCNW-UHFFFAOYSA-N;94.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100499;MM100499;CC#CC1CC1N;GBUGCUKPUWKMOV-UHFFFAOYSA-N;95.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100500;MM100500;CC#CC1CC1O;AWJQBJFTVMBGHW-UHFFFAOYSA-N;96.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100501;MM100501;CC#CC1CC1F;QIHRMAGZCFKAMD-UHFFFAOYSA-N;98.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100502;MM100502;CC#CC1NC1C;MMVXVRQOTCIXHY-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100503;MM100503;CC#CC1OC1C;SFTZXCVTKPKXOZ-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100504;MM100504;CC#CC1CN1C;VLRIWBRWYHKLBP-UHFFFAOYSA-N;95.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100505;MM100505;CC(C)C1CCC1;RFHQRRJFJJCQDJ-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100506;MM100506;C=C(C)C1CCC1;QRTKMUJLWMHNQK-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100507;MM100507;C=C(C)C1CNC1;HOAVZNLKAJJXHW-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100508;MM100508;C=C(C)C1CCN1;MBBAFJZHSALEIC-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100509;MM100509;CC(=N)N1CCC1;WGYZEWNWHLBFBY-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100510;MM100510;CC(C)C1CC1C;JDZVNQMEYFJAND-UHFFFAOYSA-N;98.19;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100511;MM100511;CC(N)C1CC1C;PNORXWKSUWCACH-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100512;MM100512;CN=CN(O)C(=N)C=NO;NPLDCHHLKWYKMS-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100513;MM100513;CC(F)C1CC1C;FEFDTAKRSYMEHN-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100514;MM100514;CC1CC1C(F)F;XPICCHCFLYXPDL-UHFFFAOYSA-N;106.12;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100515;MM100515;CC(C)C1CC1N;PAKOTDFUHRYXRU-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100516;MM100516;CC(N)C1CC1N;XNFJRLHMABJPHF-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100517;MM100517;CC(O)C1CC1N;QAPIIHPQEXFZCI-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100518;MM100518;CC(F)C1CC1N;UDNNVXGLZUHSCG-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100519;MM100519;NC1CC1C(F)F;GAIGMFMTIOWSIT-UHFFFAOYSA-N;107.1;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100520;MM100520;N=C(NO)N(C=O)C=NO;RVCXSGZLQYRHKW-UHFFFAOYSA-N;146.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100521;MM100521;CC(N)C1CC1O;KMQNROWNAZNCSN-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100522;MM100522;CC(O)C1CC1O;ASDLQTCSNNBSTR-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100523;MM100523;CC(F)C1CC1O;XSZMGTADTUFPFX-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100524;MM100524;OC1CC1C(F)F;LRAUWIXGXYSHKF-UHFFFAOYSA-N;108.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100525;MM100525;CC(C)C1CC1F;OZUZHSKROXFKBV-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100526;MM100526;CC(N)C1CC1F;JJELEZYCWVLMSM-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100527;MM100527;CC(O)C1CC1F;RVEPQEJPRHFKFY-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100528;MM100528;CC(F)C1CC1F;USRMVWITKBVUBN-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100529;MM100529;FC(F)C1CC1F;QRODQALRKRKSKB-UHFFFAOYSA-N;110.08;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100530;MM100530;CC1CC1N(C)C;NGVRHZUQJPIGKO-UHFFFAOYSA-N;99.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100531;MM100531;CN(C)C1CC1N;KQLYDWOXGKXBHK-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100532;MM100532;CN(C)C1CC1O;DNRHIEFLERNINE-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100533;MM100533;CC(N)C1NC1C;NBBAGSBIFMVGQE-UHFFFAOYSA-N;100.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100534;MM100534;CC(F)C1NC1C;QKJQUTWARMFKAB-UHFFFAOYSA-N;103.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100535;MM100535;CC1NC1C(F)F;JJVKZQKRWZGKHR-UHFFFAOYSA-N;107.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100536;MM100536;CC(C)C1OC1C;AYTCGOOJNRZGBU-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100537;MM100537;CC(N)C1OC1C;VPNIUQWLNWQWJL-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100538;MM100538;CC(O)C1OC1C;FHIKGRJBSRFOJT-UHFFFAOYSA-N;102.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100539;MM100539;CC(F)C1OC1C;IVNNSPWYDYTEOB-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100540;MM100540;CC1OC1C(F)F;GNFYVZSRDFZYHJ-UHFFFAOYSA-N;108.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100541;MM100541;CC(N)C1CN1C;VPZBDGXOJJMQAW-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100542;MM100542;Cc1cn(C)n(C)c1=NO;FGTWHKUPGBERCU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100543;MM100543;CC(F)C1CN1C;LKTGDWGCQJNJGZ-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100544;MM100544;CN1CC1C(F)F;GUGUYKVAHIICRR-UHFFFAOYSA-N;107.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100545;MM100545;C=C(C)C1CC1C;ZOKGQUXVNGUSSK-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100546;MM100546;CC(=O)C1CC1C;CSEAGYCTZLEZON-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100547;MM100547;CC1CC1C(=N)N;VHHMCFRLHWLFFD-UHFFFAOYSA-N;98.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100548;MM100548;Cc1cc(=NN)o[nH]1;OHCQUTXDMOCNDZ-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100549;MM100549;CC1CC1C(=O)O;AYEGPMGNMOIHDL-UHFFFAOYSA-N;100.12;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100550;MM100550;C=C(F)C1CC1C;IQUJZPBMABFZNA-UHFFFAOYSA-N;100.14;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100551;MM100551;C=C(C)C1CC1N;UKSNROKYBUBPNW-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100552;MM100552;N=C(N)C1CC1N;GXCAOGAZUYPOKC-UHFFFAOYSA-N;99.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100553;MM100553;NC(=O)C1CC1N;NYJLOBSPMAAEBN-UHFFFAOYSA-N;100.12;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100554;MM100554;C=C(F)C1CC1N;ZNHDUSHDTAXFCS-UHFFFAOYSA-N;101.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100555;MM100555;C=Cc1ncc(O)n1C;WNFOAAWLFJCSJX-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100556;MM100556;CC(=O)C1CC1O;UIJWDRHZFJKYPW-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100557;MM100557;N=C(N)C1CC1O;UCDGMLFJYXQTJF-UHFFFAOYSA-N;100.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100558;MM100558;NC(=O)C1CC1O;LSZHFPLVKIUIHB-UHFFFAOYSA-N;101.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100559;MM100559;CC(O)(C=NO)C(N)=O;VSQPXXSTRZVPQZ-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100560;MM100560;C=C(F)C1CC1O;MNMRZVKTFBULCX-UHFFFAOYSA-N;102.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100561;MM100561;C=C(C)C1CC1F;OUMRLQLXJVWFGP-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100562;MM100562;CC(=O)C1CC1F;VPBBKBJVVUWCBY-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100563;MM100563;N=C(N)C1CC1F;ANOMFOZPMMOITC-UHFFFAOYSA-N;102.11;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100564;MM100564;NC(=O)C1CC1F;PHZKRDKMJHXGBR-UHFFFAOYSA-N;103.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100565;MM100565;O=C(O)C1CC1F;HZQKMZGKYVDMCT-UHFFFAOYSA-N;104.08;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100566;MM100566;C=C(F)C1CC1F;RGRUNRLZWUGOIE-UHFFFAOYSA-N;104.1;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100567;MM100567;COC(=NO)C(=N)N(C)O;VWOWFASSJDBAMA-UHFFFAOYSA-N;147.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100568;MM100568;CC1NC1C(=N)N;UQOQOASUWZQAFN-UHFFFAOYSA-N;99.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100569;MM100569;Cc1cc(=NO)n(C)n1C;GMLZIWZZUXTOOA-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100570;MM100570;C=C(F)C1NC1C;NRSWQMBSYJQAPL-UHFFFAOYSA-N;101.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100571;MM100571;C=C(C)C1OC1C;YFMGHAIIWYZAOP-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100572;MM100572;CC(=O)C1OC1C;IAHUKWSQLBRAIN-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100573;MM100573;CC1OC1C(=N)N;UAAYBAMTRRUQPQ-UHFFFAOYSA-N;100.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100574;MM100574;CC1OC1C(N)=O;NRNIEDYEYVBIMW-UHFFFAOYSA-N;101.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100575;MM100575;NNC(=O)OC(CO)=NO;IZSXIQZHIIDRKQ-UHFFFAOYSA-N;149.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100576;MM100576;C=C(F)C1OC1C;JEHZRWVOXJKGHI-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100577;MM100577;C=C(C)C1CN1C;MKFVKIPSNZTPTC-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100578;MM100578;NNc1cc(N)c(=O)[nH]n1;WNSXFEWSMAOTMA-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100579;MM100579;CN1CC1C(=N)N;PDIZLMXAIPEFAO-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100580;MM100580;CCC1C(C)N1CC=NO;ZJNWYYGUHUJGBU-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100581;MM100581;Nc1c(F)n(N)n(O)c1=O;ZRWXVOOFIOFUCO-UHFFFAOYSA-N;148.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100582;MM100582;C=C(F)C1CN1C;VJRJVQDCLXKWJO-UHFFFAOYSA-N;101.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100583;MM100583;CC(=N)N1CC1C;BKTAELOEIKSZNG-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100584;MM100584;CC(=O)N1CC1C;OHCDWNRYBLLYIR-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100585;MM100585;CC1CN1C(=N)N;SONKFFNFWPYJSK-UHFFFAOYSA-N;99.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100586;MM100586;CC1CN1C(N)=O;RKNUGRGVOVDCAX-UHFFFAOYSA-N;100.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100587;MM100587;CC1CC2CC2C1;CFSFEIZUJGTCRB-UHFFFAOYSA-N;96.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100588;MM100588;CC1OC2CC2O1;XPEHJRIIHGMLGV-UHFFFAOYSA-N;100.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100589;MM100589;CN1CC2CC2C1;OBAXRSXTJUNZRQ-UHFFFAOYSA-N;97.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100590;MM100590;NC1CC2NC2C1;XYXBIADVRVZRTM-UHFFFAOYSA-N;98.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100591;MM100591;CC1CC2OC2C1;BMCYHRDIQUGCGT-UHFFFAOYSA-N;98.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100592;MM100592;FC1CC2OC2C1;MEUCOTLSSUZWNR-UHFFFAOYSA-N;102.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100593;MM100593;C=C1CC2CC2C1;VMAMTKNAVIIMDV-UHFFFAOYSA-N;94.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100594;MM100594;O=C1CC2CC2C1;WQQZKEFUOHKGII-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100595;MM100595;N=C1CC2CC2N1;ITASOPXZXUFOBK-UHFFFAOYSA-N;96.13;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100596;MM100596;O=C1CC2CC2N1;BKDXPYNNJDAIEF-UHFFFAOYSA-N;97.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100597;MM100597;C=C1CC2CC2O1;NXVVNYSSBMITLZ-UHFFFAOYSA-N;96.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100598;MM100598;O=C1CC2CC2O1;UHRXUDYFOJKBHF-UHFFFAOYSA-N;98.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100599;MM100599;C=C1CC2OC2C1;XOFHDUTYCSBZJE-UHFFFAOYSA-N;96.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100600;MM100600;O=C1CC2OC2C1;VZMRGSWFCBXBPW-UHFFFAOYSA-N;98.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100601;MM100601;N=C1CC2CN2N1;WOODSYHPXSIIMP-UHFFFAOYSA-N;97.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100602;MM100602;O=C1CC2CN2N1;LPECPNVMOUDKAJ-UHFFFAOYSA-N;98.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100603;MM100603;CC1=CC2CC2C1;FWJQEXVJHCOITO-UHFFFAOYSA-N;94.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100604;MM100604;FC1=CC2CC2C1;VWIGFEQQLCCCMC-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100605;MM100605;FC1=CC2NC2C1;QRJCTJMJOBMLKZ-UHFFFAOYSA-N;99.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100606;MM100606;CC1=CC2OC2C1;RGDRFIKHKXOMST-UHFFFAOYSA-N;96.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100607;MM100607;FC1=CC2OC2C1;DNGKKNRUZYNKAI-UHFFFAOYSA-N;100.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100608;MM100608;CC1=NN2CC2C1;MWXRPFLDBCRUBN-UHFFFAOYSA-N;96.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100609;MM100609;NCC(CO)CO;IDUWIXCWGYJVKL-UHFFFAOYSA-N;105.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100610;MM100610;FCC(CF)CF;QRVOLJCODJREMD-UHFFFAOYSA-N;112.09;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100611;MM100611;COC(CO)CF;FUAZJCBYYGAEFQ-UHFFFAOYSA-N;108.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100612;MM100612;O=CC(CO)CO;SHAAIYJHUTYDST-UHFFFAOYSA-N;104.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100613;MM100613;N#CC(CO)CO;UOVSDLWORURZPI-UHFFFAOYSA-N;101.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100614;MM100614;C=CC(CF)CF;WEMCTVWMODUVEX-UHFFFAOYSA-N;106.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100615;MM100615;COC(C=O)CO;LFHDVXRLUAMVMT-UHFFFAOYSA-N;104.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100616;MM100616;COC(C=O)CF;LTNTWUGYZXMDHY-UHFFFAOYSA-N;106.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100617;MM100617;C#CC(CF)CF;ARHKQSUBWKVKOR-UHFFFAOYSA-N;104.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100618;MM100618;C=CC(C#N)CF;CHYRBUGHVDWKBU-UHFFFAOYSA-N;99.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100619;MM100619;FC=C(CF)CF;CXCRCJQIJOIVNV-UHFFFAOYSA-N;110.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100620;MM100620;Cc1nc(O)c(=N)n(C)n1;UPHQGSMLPMXWAW-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100621;MM100621;CC(C=NO)CNCC#N;TVJXDXOCDWWZRY-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100622;MM100622;COC(=CF)CF;VYVSLBCFKXZSIC-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100623;MM100623;CCC(=NO)OC;OQZZZEUNJYREFW-UHFFFAOYSA-N;103.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100624;MM100624;C=CC(=CF)CF;HUVMTJVTHCXBCM-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100625;MM100625;FCC1(CF)CC1;MHAFGLWKJGTEGY-UHFFFAOYSA-N;106.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100626;MM100626;CNC1(CF)CC1;ZRELNHWCARYLCQ-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100627;MM100627;CCC1(CF)CN1;CDKPHRXLHXJDGT-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100628;MM100628;NCC1(CO)CO1;JAQNUAQKCWWMNQ-UHFFFAOYSA-N;103.12;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100629;MM100629;NCC1(CF)CO1;BDENSVIHZYWCPV-UHFFFAOYSA-N;105.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100630;MM100630;CCCCCCC;IMNFDUFMRHMDMM-UHFFFAOYSA-N;100.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100631;MM100631;CCCCCCN;BMVXCPBXGZKUPN-UHFFFAOYSA-N;101.19;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100632;MM100632;N=c1ncnnc(=NN)[nH]1;AZWBMKGJIUXJDP-UHFFFAOYSA-N;139.12;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100633;MM100633;CCCCCCF;OFERIJCSHDJMSA-UHFFFAOYSA-N;104.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100634;MM100634;CCCCCNC;UOIWOHLIGKIYFE-UHFFFAOYSA-N;101.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100635;MM100635;CCCCCOC;DBUJFULDVAZULB-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100636;MM100636;COCCCCO;KOVAQMSVARJMPH-UHFFFAOYSA-N;104.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100637;MM100637;COCCCCF;WFLYOQKZVXPRGV-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100638;MM100638;CCCCNCC;QHCCDDQKNUYGNC-UHFFFAOYSA-N;101.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100639;MM100639;CCCCOCC;PZHIWRCQKBBTOW-UHFFFAOYSA-N;102.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100640;MM100640;CCOCCCF;IPRXYQXOIIMYQD-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100641;MM100641;CCCNCCC;WEHWNAOGRSTTBQ-UHFFFAOYSA-N;101.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100642;MM100642;CCCNCCF;SFOAHVBZAKIGDS-UHFFFAOYSA-N;105.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100643;MM100643;NCCNCCN;RPNUMPOLZDHAAY-UHFFFAOYSA-N;103.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100644;MM100644;NCCNCCO;LHIJANUOQQMGNT-UHFFFAOYSA-N;104.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100645;MM100645;NCCNCCF;KHDHWRLGXKRCIR-UHFFFAOYSA-N;106.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100646;MM100646;OCCNCCO;ZBCBWPMODOFKDW-UHFFFAOYSA-N;105.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100647;MM100647;CCCOCCF;NYYFATUWNIPJTH-UHFFFAOYSA-N;106.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100648;MM100648;NCCOCCF;GQGLMJVCNZMSLM-UHFFFAOYSA-N;107.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100649;MM100649;COCOCCN;DGJMFCAWGKNEAZ-UHFFFAOYSA-N;105.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100650;MM100650;COCOCCO;INFFATMFXZFLAO-UHFFFAOYSA-N;106.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100651;MM100651;C=CCCCCC;ZGEGCLOFRBLKSE-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100652;MM100652;CCCCCC=O;JARKCYVAAOWBJS-UHFFFAOYSA-N;100.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100653;MM100653;CCCCCC#N;AILKHAQXUAOOFU-UHFFFAOYSA-N;97.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100654;MM100654;C=CCCCCN;FICBXRYQMBKLJJ-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100655;MM100655;Cc1[nH]c(N)c(C)c1O;OUHGNXQFWDYKQB-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100656;MM100656;C=CCCCCF;WUMVRHNZIRFDQL-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100657;MM100657;N#CCCCCF;TZKGRFZSJHYEOY-UHFFFAOYSA-N;101.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100658;MM100658;C=CCCCNC;SQULHOYRZBAPJF-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100659;MM100659;C=CCCCOC;GCFVJHKEPFMQPP-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100660;MM100660;CCCCNC=N;YUDJKMBKBDVCNR-UHFFFAOYSA-N;100.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100661;MM100661;N=c1c(N)c(O)n(N)n1N;MAGRIUUVXQUYMU-UHFFFAOYSA-N;144.14;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100662;MM100662;N=CNCCCN;MWMFVKHSHOJGLF-UHFFFAOYSA-N;101.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100663;MM100663;NCCCNC=O;VYPFWPNTHCCMQM-UHFFFAOYSA-N;102.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100664;MM100664;N=CNCCCO;AVJZIYIQSXCCOO-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100665;MM100665;N=CNCCCF;WFVPPAIQWXESJX-UHFFFAOYSA-N;104.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100666;MM100666;C=c1ccc(=NO)[nH]c1=C;ADXLMYBLMLAYJT-UHFFFAOYSA-N;136.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100667;MM100667;CCNc1ncc(C#N)[nH]1;HJTGPQWSNTWPOR-UHFFFAOYSA-N;136.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100668;MM100668;CNCCNC=N;BXBDYKAONWLVTD-UHFFFAOYSA-N;101.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100669;MM100669;CNCCNC=O;BPMFZTBKZVLRCW-UHFFFAOYSA-N;102.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100670;MM100670;C=NNCCNC;HXTFRUFAXSTJMT-UHFFFAOYSA-N;101.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100671;MM100671;COCCNC=N;FFWYQPLPUALGDL-UHFFFAOYSA-N;102.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100672;MM100672;C=Cc1cn(N)c(=NO)[nH]1;BUJJBLOBBIPFFF-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100673;MM100673;C=COCCCC;UZKWTJUDCOPSNM-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100674;MM100674;CCCCOC=O;NMJJFJNHVMGPGM-UHFFFAOYSA-N;102.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100675;MM100675;NCCCOC=O;SWBSLALMMAOKOZ-UHFFFAOYSA-N;103.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100676;MM100676;C=COCCCF;CFMTUIKADIKXIQ-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100677;MM100677;C=NOCCCC;BUCVIDMHSUMMIF-UHFFFAOYSA-N;101.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100678;MM100678;C=NOCCCF;OBHZYPKEAVQRNF-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100679;MM100679;CNCCOC=O;DKELKQRWPDUKIP-UHFFFAOYSA-N;103.12;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100680;MM100680;C=CCCOCC;DKQFBUMLBKKLLP-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100681;MM100681;CCOCCC=O;RKSGQXSDRYHVTM-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100682;MM100682;C=COCOCC;XREZAPYWZGJIFS-UHFFFAOYSA-N;102.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100683;MM100683;CCOCOC=O;PSMNQBXDJUFDBY-UHFFFAOYSA-N;104.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100684;MM100684;C=CCNCCC;HUEPADWXXGLLSW-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100685;MM100685;C=CCNCCN;YDLDORZAYJTSMR-UHFFFAOYSA-N;100.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100686;MM100686;N=CNNCCN;JLTPPJIRIZOSTN-UHFFFAOYSA-N;102.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100687;MM100687;NCCNNC=O;JSMFVBHPDLOKND-UHFFFAOYSA-N;103.13;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100688;MM100688;N=CNNCCO;BMCVFSOKUCXOKO-UHFFFAOYSA-N;103.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100689;MM100689;Cn1ncc(=NO)n1N;PMPGOKUPOZCGRB-UHFFFAOYSA-N;129.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100690;MM100690;N=CNNCCF;KBGGJUZJNMKOOZ-UHFFFAOYSA-N;105.12;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100691;MM100691;C=CCOCCC;LWJHSQQHGRQCKO-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100692;MM100692;CCCOCC=O;YFPMKTSZVUDZDO-UHFFFAOYSA-N;102.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100693;MM100693;CCCOCC#N;PXWNGTUJADMZEQ-UHFFFAOYSA-N;99.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100694;MM100694;O=CCOCCO;DSGGHBUAHUMMHN-UHFFFAOYSA-N;104.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100695;MM100695;C=CCOCCF;QJXZNUVHJNHVLE-UHFFFAOYSA-N;104.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100696;MM100696;O=CCOCCF;XZEZODIITWGNCH-UHFFFAOYSA-N;106.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100697;MM100697;N=CNOCCN;ULYKRNCKTGOMGR-UHFFFAOYSA-N;103.13;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100698;MM100698;NCCONC=O;CQCDRQSCSIBMTA-UHFFFAOYSA-N;104.11;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100699;MM100699;N=CNOCCO;TZLBVRLRISMAOD-UHFFFAOYSA-N;104.11;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100700;MM100700;O=CNOCCO;PWWBOULYZMOBLD-UHFFFAOYSA-N;105.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100701;MM100701;N=CNOCCF;QNTIKVDSRLPKLE-UHFFFAOYSA-N;106.1;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100702;MM100702;O=CNOCCF;LVHUHSIGUHULMT-UHFFFAOYSA-N;107.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100703;MM100703;COCONC=N;PSNRTDPXWACXQO-UHFFFAOYSA-N;104.11;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100704;MM100704;COCONC=O;VGJWXTDKMTXKIK-UHFFFAOYSA-N;105.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100705;MM100705;C#CCCCCC;YVXHZKKCZYLQOP-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100706;MM100706;C#CCCCCN;ONUHRYKLJYSRMY-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100707;MM100707;CN(C)CC(=NO)NC=O;CNWKJUMTPROHOX-UHFFFAOYSA-N;145.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100708;MM100708;C#CCCCCF;YDUGWJMUYOGFLN-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100709;MM100709;C#CCCCNC;CDHPRJMTVOIFIZ-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100710;MM100710;C#CCCCOC;CLISVFCXKLMNIJ-UHFFFAOYSA-N;98.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100711;MM100711;C#CCCNCC;UUXYNMAXFOIMGQ-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100712;MM100712;C#CCNCCC;MDMPAKJUMKBYNQ-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100713;MM100713;C#CCNCCN;BSQBEIRAUMWTPJ-UHFFFAOYSA-N;98.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100714;MM100714;C#CCNCCO;VNZRQMZOCPCQFL-UHFFFAOYSA-N;99.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100715;MM100715;C#CCOCCC;XEKBFEGUEXOLCV-UHFFFAOYSA-N;98.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100716;MM100716;C=CCCCC=C;GEAWFZNTIFJMHR-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100717;MM100717;O=CCCCC=O;SXRSQZLOMIGNAQ-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100718;MM100718;C=CCCNC=N;VRXKUJHAWLJZOZ-UHFFFAOYSA-N;98.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100719;MM100719;N=C(NO)C(CCO)=NO;XGLDQVBLPPJPAD-UHFFFAOYSA-N;147.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100720;MM100720;N=CNCCC=O;HAAQRXYTUKJCGE-UHFFFAOYSA-N;100.12;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100721;MM100721;O=CCCNC=O;YEFUXNMUFHIRJS-UHFFFAOYSA-N;101.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100722;MM100722;C=CCCOC=C;CEGOHIRBPWQSQD-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100723;MM100723;C=CCCOC=O;GJHFHFFIHLKQIH-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100724;MM100724;C=CCCON=C;XYQWQCNEYCFLPS-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100725;MM100725;N=CNNCC=O;CYNYFTCMOBBULU-UHFFFAOYSA-N;101.11;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100726;MM100726;N#CCNNC=N;CPJOSTMRQLDDKU-UHFFFAOYSA-N;98.11;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100727;MM100727;O=CCNNC=O;SVICCJOCWUWWCA-UHFFFAOYSA-N;102.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100728;MM100728;C=CCOCC=C;ATVJXMYDOSMEPO-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100729;MM100729;C=CCONC=N;OMLQEWLKWNFXLZ-UHFFFAOYSA-N;100.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100730;MM100730;N=CNOCC=O;DBHFBCUMQNMSEL-UHFFFAOYSA-N;102.09;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100731;MM100731;O=CCONC=O;OLRSHZXXMKBJLL-UHFFFAOYSA-N;103.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100732;MM100732;C#CCCCC=O;JIBLCOIURXDOGU-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100733;MM100733;C#CCCNN=C;SNKMHSXBBIAJQQ-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100734;MM100734;C#CCCOC=C;QEGMJHZKEWKOEY-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100735;MM100735;C#CCCOC=O;IVIYCMOSYIUWJH-UHFFFAOYSA-N;98.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100736;MM100736;C#CCNNC=N;HKNIHHZXGVTDOF-UHFFFAOYSA-N;97.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100737;MM100737;CCC(CN1CC1C)=NO;XGYYOQMGKRCXMB-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100738;MM100738;C#CCOCC=C;GAQOILKTBJWUQM-UHFFFAOYSA-N;96.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100739;MM100739;C#CCONC=N;ZMXPIHVHZATLCT-UHFFFAOYSA-N;98.11;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100740;MM100740;C#CCONC=O;ZAWXNRQKDLGDBC-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100741;MM100741;C#CCCCC#C;RSPZSDWVQWRAEF-UHFFFAOYSA-N;92.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100742;MM100742;CC=CCCCC;OTTZHAVKAVGASB-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100743;MM100743;CCCCC=CF;RZBKDLVWLNAKAJ-UHFFFAOYSA-N;102.15;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100744;MM100744;CC=CCCCN;AZJUGPLDDAZZTB-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100745;MM100745;Nc1cccn(N)c1=NO;SGCNXWZTOWYSJV-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100746;MM100746;CNc1ncc(C#N)[nH]1;ZNHJSOSKGDAKDZ-UHFFFAOYSA-N;122.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100747;MM100747;CC=CCCCF;FLZBCIFXFWFVHQ-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100748;MM100748;CC=CCCNC;NAFOLTLUWXUQKJ-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100749;MM100749;CC=CCCOC;IYFJMSOPJUQBSR-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100750;MM100750;COCCC=CF;TXPGPELSWGVRAK-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100751;MM100751;CC=CCNCC;CJQBPKXBGUJQRP-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100752;MM100752;CC=CCOCC;NDYRMWZHBBMBGD-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100753;MM100753;CCOCC=CF;XBFAMYRWTGAGPD-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100754;MM100754;CCCN=CNC;GMCBKNLKGIXCRL-UHFFFAOYSA-N;100.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100755;MM100755;CN=CNCCN;XZJCVDJAVGDYKP-UHFFFAOYSA-N;101.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100756;MM100756;CN=CNCCO;NOWSNQXXCYJKQN-UHFFFAOYSA-N;102.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100757;MM100757;NC(N)=C(C=CF)C=NO;BVCMXLGYYXPYQI-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100758;MM100758;CC=NNCCN;FHBNPEGRUJLDAY-UHFFFAOYSA-N;101.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100759;MM100759;CN(C=N)C(=NO)OC=O;HSIHXZLGNOATRW-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100760;MM100760;CCCOC=CF;BBEZVOSWKKBNCF-UHFFFAOYSA-N;104.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100761;MM100761;NCCOC=CF;BPYBLADFMUWHPI-UHFFFAOYSA-N;105.11;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100762;MM100762;OCCOC=CF;ZHTNVCQLGZJATK-UHFFFAOYSA-N;106.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100763;MM100763;CC=COCCF;BFMFTYUPNCPUPS-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100764;MM100764;FC=COCCF;PCEHBEQMJYAULN-UHFFFAOYSA-N;108.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100765;MM100765;C=c1[nH]c(=NO)n(N)c1=C;GVYIMLHDMFJCOH-UHFFFAOYSA-N;140.15;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100766;MM100766;NCCOC=NO;BJZFGSBZMRSEAR-UHFFFAOYSA-N;104.11;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100767;MM100767;ON=COCCF;FPFJLZGUQZJQCF-UHFFFAOYSA-N;107.08;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100768;MM100768;COCOC=CF;GRFOQNQNVFTIFM-UHFFFAOYSA-N;106.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100769;MM100769;CC(=NO)C(C)N1CC1C;NLWDKTGAMLDBKV-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100770;MM100770;COCOC=NO;LUIBMWCLFPDXSM-UHFFFAOYSA-N;105.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100771;MM100771;CC=NOCCF;MDILOTKEWLWLGS-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100772;MM100772;C=CCCC=CC;ZGXMNEKDFYUNDQ-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100773;MM100773;C=CCCC=CF;JUTGTNAZNJUXLB-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100774;MM100774;CC=CCCC=O;DPCMFIRORYQTCL-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100775;MM100775;CC=CCCC#N;VZLPDVOEBCMDIQ-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100776;MM100776;C=CCCC=NN;KYDORLZSLIDWEE-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100777;MM100777;C=CCCC=NO;BASKYLRABJPVDH-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100778;MM100778;CC=CCNC=N;WKSXKBOIGCROCO-UHFFFAOYSA-N;98.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100779;MM100779;N=CNCC=CF;WDFTWWHIOIXZPJ-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100780;MM100780;CC#CC#CC(=NO)NN;RZCRBEIYUKWPDD-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100781;MM100781;O=CNCC=CF;NOPHKZUPGHDZHA-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100782;MM100782;N=CNCC=NN;KRUNWLHJSLBIFX-UHFFFAOYSA-N;100.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100783;MM100783;N=CNCC=NO;BCVUDFXJPDZSOB-UHFFFAOYSA-N;101.11;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100784;MM100784;C=Cc1c[nH]c(=NO)n1N;WOXHHSGPIFXDLH-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100785;MM100785;O=CNCC=NO;HIOXTIUGZNVVHD-UHFFFAOYSA-N;102.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100786;MM100786;C=NNCC=CC;PYINPPJKJYETMJ-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100787;MM100787;C=NNCC=NO;FEHNNQVPBKNKIN-UHFFFAOYSA-N;101.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100788;MM100788;C=COCC=CC;PSPHUEMBSBTXKQ-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100789;MM100789;C=COCC=CF;VXCVDVSMCQZUQA-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100790;MM100790;CC=CCOC=O;QMRHVBXTBSSMHQ-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100791;MM100791;O=COCC=CF;LJLQVULBMNNULU-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100792;MM100792;C=NOCC=CC;GTZLITFROALTIG-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100793;MM100793;C=NOCC=CF;CFMDQYFGLFPZJH-UHFFFAOYSA-N;103.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100794;MM100794;C=CCNC=NC;LYDCOYJQRRECON-UHFFFAOYSA-N;98.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100795;MM100795;CN=CNCC=O;NAMMFVWHSFRQPZ-UHFFFAOYSA-N;100.12;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100796;MM100796;CNC(=NNC(C)=O)NC;LSURWGCCALZYIO-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100797;MM100797;CN=CNNC=N;XUDIQNASEMIMDE-UHFFFAOYSA-N;100.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100798;MM100798;N=CNNC=NO;RFWKCYNNEHQRQX-UHFFFAOYSA-N;102.1;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100799;MM100799;CN=CNNC=O;NRELMIOSNMOULE-UHFFFAOYSA-N;101.11;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100800;MM100800;O=CNNC=NO;BDXMDRFJPRKRHL-UHFFFAOYSA-N;103.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100801;MM100801;NC=NOC(=O)C(O)C=O;XWPWLXVIGQDWTG-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100802;MM100802;O=CONC=NO;JRLLSYABHFAZMM-UHFFFAOYSA-N;104.07;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100803;MM100803;C=CCOC=CC;OOJOMMLRLJVOMH-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100804;MM100804;C=CCOC=CF;UMBMJRIYWWOQPD-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100805;MM100805;CC=COCC=O;ZBJYYIFADWNDME-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100806;MM100806;CC=COCC#N;NYMGFNDAIUUTNP-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100807;MM100807;CN=C(NO)N(O)C=NO;KXORSDSMFORCQA-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100808;MM100808;C=CCOC=NO;LICOJPUVRPPGLQ-UHFFFAOYSA-N;101.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100809;MM100809;N=CNOC=NO;IGLRGESKSSHNBW-UHFFFAOYSA-N;103.08;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100810;MM100810;NN=CONC=O;HNFGRHPRZBXONH-UHFFFAOYSA-N;103.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100811;MM100811;O=CNOC=NO;JYASFGXYMCCKGV-UHFFFAOYSA-N;104.07;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100812;MM100812;C#CCCC=NN;FTNBIQOHVOFVML-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100813;MM100813;C#CCOC=CF;RSYTYWUNNTYFJH-UHFFFAOYSA-N;100.09;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100814;MM100814;CC#CCCCC;AMSFEMSYKQQCHL-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100815;MM100815;CC#CCCCN;FRUQLILSTSIBFH-UHFFFAOYSA-N;97.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100816;MM100816;CC#CCCCO;VNUUMNNQQSAYCU-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100817;MM100817;CC#CCCCF;WSCRETNGPSNAAK-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100818;MM100818;CC#CCCNC;WUYAJINBDKGROS-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100819;MM100819;CC#CCCOC;XCELIIIOYVQBBB-UHFFFAOYSA-N;98.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100820;MM100820;CC#CCNCC;PUYNGZKIFYRTAA-UHFFFAOYSA-N;97.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100821;MM100821;CC#CCOCC;BNJNNJOSXKNGCQ-UHFFFAOYSA-N;98.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100822;MM100822;C=CCCC#CC;AMSMDGCMDNFUQA-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100823;MM100823;CC#CCCC=O;KMDMSXVIDJWOQL-UHFFFAOYSA-N;96.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100824;MM100824;CC#CCNC=N;XSXMYOZHDFQHQQ-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100825;MM100825;CC#CCNC=O;FYGBCWHIOKACSJ-UHFFFAOYSA-N;97.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100826;MM100826;C=COCC#CC;DBNGJYPITZNZFU-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100827;MM100827;CC=CCC=CC;JAGYXYUAYDLKNO-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100828;MM100828;CC=CCC=CF;PRUVKBCUOZQGSZ-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100829;MM100829;FC=CCC=CF;VACVCLQVYKRDSW-UHFFFAOYSA-N;104.1;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100830;MM100830;CC=CCC=NN;SPIYVQYGZQSZSS-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100831;MM100831;CC=CCC=NO;PEMHUQRQJCMSMU-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100832;MM100832;ON=CCC=CF;JSGRLIXXZDWSMF-UHFFFAOYSA-N;103.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100833;MM100833;ON=CCC=NO;CKHRUALTAFMGLY-UHFFFAOYSA-N;102.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100834;MM100834;ON=CNC=CF;HBTHDJXSOLLQNX-UHFFFAOYSA-N;104.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100835;MM100835;NNC=NC=NO;ZEDDWFDXTBSYOG-UHFFFAOYSA-N;102.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100836;MM100836;ON=CNC=NO;FCZJZUGUXWCOOU-UHFFFAOYSA-N;103.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100837;MM100837;CC=COC=CC;ZKJNETINGMOHJG-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100838;MM100838;CC=COC=CF;XGSCVMCNTGCZBU-UHFFFAOYSA-N;102.11;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100839;MM100839;FC=COC=CF;JMGNVALALWCTLC-UHFFFAOYSA-N;106.07;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100840;MM100840;CC#CCC=CF;IPZLXIPMAVOQJR-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100841;MM100841;CC#CCC=NN;KROPAUQQHCDMQN-UHFFFAOYSA-N;96.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100842;MM100842;CC#CCC=NO;NCCPSOWZVMZLIH-UHFFFAOYSA-N;97.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100843;MM100843;CCC=CCCC;WZHKDGJSXCTSCK-UHFFFAOYSA-N;98.19;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100844;MM100844;CCCC=CCN;JMPKRWPMDAFCGM-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100845;MM100845;CCCC=CCO;ZCHHRLHTBGRGOT-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100846;MM100846;CCCC=CCF;CQNQOUKPCFXODB-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100847;MM100847;CCC=CCCN;VGZNFMCCYIOLAF-UHFFFAOYSA-N;99.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100848;MM100848;NCC=CCCN;GZJWADCHAFPNLA-UHFFFAOYSA-N;100.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100849;MM100849;CCC=CCCO;UFLHIIWVXFIJGU-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100850;MM100850;OCCC=CCF;DQMMYHPQCDJFPR-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100851;MM100851;CCC=CCCF;LOCVJXMABDTVDI-UHFFFAOYSA-N;102.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100852;MM100852;NCC=CCCF;KMSQRMUYYSZSAH-UHFFFAOYSA-N;103.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100853;MM100853;OCC=CCCF;DXOLUWXPEZHWJX-UHFFFAOYSA-N;104.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100854;MM100854;FCC=CCCF;JMBLJGDAYYWPDT-UHFFFAOYSA-N;106.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100855;MM100855;CCCC=COC;KPEQNVUFSUUSAQ-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100856;MM100856;COC=CCCN;DPZMSYDGLLTOQY-UHFFFAOYSA-N;101.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100857;MM100857;COC=CCCF;DXJPFIUEYLGDTG-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100858;MM100858;CCC=CCNC;OEOPPEOJMSPERV-UHFFFAOYSA-N;99.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100859;MM100859;CNCC=CCF;YARSSYIBTHTUTF-UHFFFAOYSA-N;103.14;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100860;MM100860;CCC=CCOC;YCVHIAQANWEUFE-UHFFFAOYSA-N;100.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100861;MM100861;COCC=CCF;ATFCSSYXMJJTIH-UHFFFAOYSA-N;104.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100862;MM100862;CNN=CCCN;ZNGOBRCTKMZXKO-UHFFFAOYSA-N;101.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100863;MM100863;CNN=CCCF;STTPLKOTUXCOME-UHFFFAOYSA-N;104.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100864;MM100864;CCN=CNCC;ITRAGAZFCRSSBF-UHFFFAOYSA-N;100.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100865;MM100865;CC1C(=O)NN=C1NN;IOFARBBUAKTILR-UHFFFAOYSA-N;128.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100866;MM100866;CCC=COCC;AQTYNINXYJFSHD-UHFFFAOYSA-N;100.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100867;MM100867;CCOC=CCF;CICGGXISWGNOLS-UHFFFAOYSA-N;104.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100868;MM100868;CCOC=COC;GGMJBTRSRRDRPB-UHFFFAOYSA-N;102.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100869;MM100869;CCOC=NOC;UYFJGROJEIEGRK-UHFFFAOYSA-N;103.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100870;MM100870;CC1(C)NC1C(=NO)NN;PQYPSDYHNKXOLB-UHFFFAOYSA-N;144.18;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100871;MM100871;C=CC=CCCC;OGQVROWWFUXRST-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100872;MM100872;CCCC=CC=O;MBDOYVRWFFCFHM-UHFFFAOYSA-N;98.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100873;MM100873;CCCC=CC#N;CSAZMTWHVNCILA-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100874;MM100874;C=CC=CCCN;ODMTXWUFQDEXBS-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100875;MM100875;CC1(C(=O)NN=CN)CN1;CNZZPLZGJCAITJ-UHFFFAOYSA-N;142.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100876;MM100876;O=CC=CCCF;FDHXXHBCODBKSJ-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100877;MM100877;N#CC=CCCF;CHWNBNLLPYCDDD-UHFFFAOYSA-N;99.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100878;MM100878;C=CC=CCNC;RYWJMUCWKAJZIZ-UHFFFAOYSA-N;97.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100879;MM100879;C=CC=CCOC;YFRMDUCSDQJTKP-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100880;MM100880;COCC=CC#N;GPNISLPZDBITJJ-UHFFFAOYSA-N;97.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100881;MM100881;C=NN=CCCC;VWTAGZIHPJFUJF-UHFFFAOYSA-N;98.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100882;MM100882;CC=COC(C=CN)=NO;DKURLFNPMSXLAH-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100883;MM100883;C=NN=CCCF;RQNUHCNDGXDRPV-UHFFFAOYSA-N;102.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100884;MM100884;CCN=CNC=N;YLHJZQNYUYVALI-UHFFFAOYSA-N;99.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100885;MM100885;C=c1ccc(=C)c(=NO)[nH]1;HRZUNAMODLPQET-UHFFFAOYSA-N;136.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100886;MM100886;C=CC=COCC;LDVKFLIDEBQMNX-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100887;MM100887;CCOC=CC=O;SYIPIVAOEFWMBA-UHFFFAOYSA-N;100.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100888;MM100888;CCOC=CC#N;HUPVIAINOSTNBJ-UHFFFAOYSA-N;97.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100889;MM100889;C=NN=COCC;DSQGKXMXHVQGLX-UHFFFAOYSA-N;100.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100890;MM100890;C=CC=NOCC;URSPAOPYZOAFJO-UHFFFAOYSA-N;99.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100891;MM100891;CCON=CC#N;SYKUEBOVGLSGNS-UHFFFAOYSA-N;98.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100892;MM100892;C#CC=CCCC;LXPWTZWMHUCANN-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100893;MM100893;C#CC=CCCN;AMFBLVDQRNQMDW-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100894;MM100894;C#CC=CCCO;BRPYKGUPEIEWRQ-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100895;MM100895;C#CC=CCCF;ANZDCRXKYYFNQC-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100896;MM100896;C#CC=CCNC;XLABBAPKKJFWHH-UHFFFAOYSA-N;95.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100897;MM100897;C#CC=CCOC;MYXKYZCDMGRIGT-UHFFFAOYSA-N;96.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100898;MM100898;C#CC=COCC;LYWWXPVUSWJFCZ-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100899;MM100899;C#CC=NNCC;XGHSHVQSOKISHR-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100900;MM100900;C#CC=NOCC;MPNIGDBTRCEVCK-UHFFFAOYSA-N;97.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100901;MM100901;C=CCC=CCC;FMAMSYPJXSEYSW-UHFFFAOYSA-N;96.17;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100902;MM100902;C=CCC=CCN;KAMUCPBAPLXMGM-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100903;MM100903;C=CCC=CCO;DBYJIWYDEHDKJS-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100904;MM100904;C=CCC=CCF;YHRSENZQTIBTOV-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100905;MM100905;CCC=CCC#N;SSVBJXJTXFYDNC-UHFFFAOYSA-N;95.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100906;MM100906;O=CCC=CCF;BUVSHVSQDZQUJD-UHFFFAOYSA-N;102.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100907;MM100907;NN=CNOC(=NO)NO;BOQMIHHWASKRMR-UHFFFAOYSA-N;149.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100908;MM100908;N=CNC=CCN;XCEZZPBRKOYVRR-UHFFFAOYSA-N;99.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100909;MM100909;CCC=CNC=O;HESSZSSRMUIVMT-UHFFFAOYSA-N;99.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100910;MM100910;NCC=CNC=O;PBDPOIFJAWEGRS-UHFFFAOYSA-N;100.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100911;MM100911;O=CNC=CCO;HQJWTHIBXDWKIQ-UHFFFAOYSA-N;101.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100912;MM100912;O=CNC=CCF;GONPTMNQGVYPSD-UHFFFAOYSA-N;103.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100913;MM100913;C=CNC=NCC;BBWGRAJHKBOHBU-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100914;MM100914;C=CNC=NNC;YYHWSAHGYSPCFM-UHFFFAOYSA-N;99.14;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100915;MM100915;C=COC=CCC;STYHKGTUMYFCLA-UHFFFAOYSA-N;98.15;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100916;MM100916;CCC=COC=O;CSFVMUKYKPTGJI-UHFFFAOYSA-N;100.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100917;MM100917;NCC=COC=O;OGKHKDKWFIPIBV-UHFFFAOYSA-N;101.11;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100918;MM100918;O=COC=CCF;WUHIGAKRPNEQNM-UHFFFAOYSA-N;104.08;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100919;MM100919;CCC=NNC=O;DXGBABXDDADEKJ-UHFFFAOYSA-N;100.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100920;MM100920;O=CNN=CCO;PWWUYTQJSADDLZ-UHFFFAOYSA-N;102.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100921;MM100921;C=CC=CCC=C;CXHZYOISZDAYCU-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100922;MM100922;C=CCC=CC=O;MZYGUISKQYKORT-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100923;MM100923;C=CCC=CC#N;DBAGCDZGOWEZHW-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100924;MM100924;C=CC=CCC#N;KNKPPAZPFNLDGM-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100925;MM100925;O=CC=CCC=O;NEOPYIBVKJWHMN-UHFFFAOYSA-N;98.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100926;MM100926;C=CCC=NN=C;JXZMHTJMBBBTJZ-UHFFFAOYSA-N;96.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100927;MM100927;C=NN=CCC=O;PPFKEFPXKYKPAJ-UHFFFAOYSA-N;98.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100928;MM100928;C=CC=CNC=O;NZGMXBADPHMBCL-UHFFFAOYSA-N;97.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100929;MM100929;N=C1N(N)CC(=O)N1N;UEVIXHSGGOOXRX-UHFFFAOYSA-N;129.12;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100930;MM100930;N#CC(=NNC=O)NC=N;DBJVVLKYCDSURG-UHFFFAOYSA-N;139.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100931;MM100931;O=CN=CNC=O;ILMBUDBVBQMTJS-UHFFFAOYSA-N;100.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100932;MM100932;NNC(=NNC=O)NO;NABCQCBWXGFAHX-UHFFFAOYSA-N;133.11;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100933;MM100933;C=CC=COC=O;AUCQJIGPMKZJCC-UHFFFAOYSA-N;98.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100934;MM100934;C=NN=COC=O;YIABVCRZJCJMQH-UHFFFAOYSA-N;100.08;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100935;MM100935;C#CC=CCC=C;NSDHOCZMYXEIJF-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100936;MM100936;C#CC=COC=O;HDCLOOZLMLGKAU-UHFFFAOYSA-N;96.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100937;MM100937;C#CCC=CCC;NDBSYWQDUNOZGF-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100938;MM100938;C#CCC=CCN;NCZLWJUWSFTKQT-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100939;MM100939;C#CCC=CCO;ROZZXYYVJIBDOZ-UHFFFAOYSA-N;96.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100940;MM100940;C#CCC=COC;VJXZAAWKCMOZKM-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100941;MM100941;C#CCC=CC=C;BEDIDJHNVRIGLU-UHFFFAOYSA-N;92.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100942;MM100942;CC=CC=CCN;IGQDXHNZLXHDRZ-UHFFFAOYSA-N;97.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100943;MM100943;CC=CC=CCO;MEIRRNXMZYDVDW-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100944;MM100944;CC=CC=CCF;KUCMGXWLFCRZEF-UHFFFAOYSA-N;100.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100945;MM100945;CCC=CC=CF;LRSWZSSJIYUGKH-UHFFFAOYSA-N;100.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100946;MM100946;NCC=CC=CF;MGMJAIWXGMCXMJ-UHFFFAOYSA-N;101.12;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100947;MM100947;FC=CC=CCF;HAHSKOZHGXZFBL-UHFFFAOYSA-N;104.1;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100948;MM100948;CC=CC=COC;WRXBNDSCXVJMQN-UHFFFAOYSA-N;98.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100949;MM100949;COC=CC=CF;WWDSQMBHQDDDRH-UHFFFAOYSA-N;102.11;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100950;MM100950;CCC=CC=NN;XAAOVUHYBBQPLI-UHFFFAOYSA-N;98.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100951;MM100951;N#CCNCCC=NO;KYCYIGKOPCGFIM-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100952;MM100952;NCC=CC=NO;CCLCIWFUJBEXKJ-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100953;MM100953;OCC=CC=NO;XJSHIBSCGCDFIE-UHFFFAOYSA-N;101.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100954;MM100954;CC=CC=NNC;VDKCOKRSWGLZGA-UHFFFAOYSA-N;98.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100955;MM100955;CNN=CC=CF;GGVYKVKHCJBPAK-UHFFFAOYSA-N;102.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100956;MM100956;CON=CC=CF;ZOSCAPNCJYBGGT-UHFFFAOYSA-N;103.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100957;MM100957;CC=NN=CCC;PXUQQBQLPDJQPD-UHFFFAOYSA-N;98.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100958;MM100958;CC=NN=CCF;JRZZAKVUKRBOLJ-UHFFFAOYSA-N;102.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100959;MM100959;C=CC=CC=CC;USKZHEQYENVSMH-UHFFFAOYSA-N;94.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100960;MM100960;CC=CC=CC=O;BATOPAZDIZEVQF-UHFFFAOYSA-N;96.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100961;MM100961;CC=CC=CC#N;NYKHMTWWXWMMHN-UHFFFAOYSA-N;93.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100962;MM100962;C=NN=CC=CN;AGEHVMNFODRLTC-UHFFFAOYSA-N;97.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100963;MM100963;C=NN=CC=CF;ONGUKKUXLJMBSL-UHFFFAOYSA-N;100.1;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100964;MM100964;CNN(C=NO)C=C(F)F;PKEKHHIOEISCHT-UHFFFAOYSA-N;151.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100965;MM100965;C=CC=NN=CC;PLPQQSVSUNPFET-UHFFFAOYSA-N;96.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100966;MM100966;CC#CC=CCC;BAFUBUMLCGQETG-UHFFFAOYSA-N;94.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100967;MM100967;CC#CC=CCN;PPRKTKACEPHIOF-UHFFFAOYSA-N;95.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100968;MM100968;CC#CC=CCF;NSBADUBQLTUJOS-UHFFFAOYSA-N;98.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100969;MM100969;CC#CC=COC;VIIKVNNELZKRAU-UHFFFAOYSA-N;96.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100970;MM100970;CC#CC=CC=O;NTDJURCPQZXMKS-UHFFFAOYSA-N;94.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100971;MM100971;C=NN=CC#CC;YSFFYONQTXVSCC-UHFFFAOYSA-N;94.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100972;MM100972;CCC#CCCF;MRRABQONJDIQEP-UHFFFAOYSA-N;100.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100973;MM100973;NCC#CCCF;IKHKLAPDNCMKFR-UHFFFAOYSA-N;101.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100974;MM100974;OCC#CCCF;DNGKQJABFOVMBS-UHFFFAOYSA-N;102.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100975;MM100975;FCC#CCCF;AHUWDRUFKVPQMZ-UHFFFAOYSA-N;104.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100976;MM100976;O=CC#CCCF;JYQNSXRWYQXEKZ-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100977;MM100977;O=CCC#CCF;AQRDBUISIVORRC-UHFFFAOYSA-N;100.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100978;MM100978;CCC#CC=CF;IIWPEXPYXULMRL-UHFFFAOYSA-N;98.12;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100979;MM100979;NCC#CC=CF;REQYWYZWFAOSMB-UHFFFAOYSA-N;99.11;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100980;MM100980;FC=CC#CCF;YSHXGYSANSYHOV-UHFFFAOYSA-N;102.08;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100981;MM100981;OCC#CC=NO;HUCUEQIHRXQXON-UHFFFAOYSA-N;99.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100982;MM100982;O=CC#CC=CF;ALNPMNRAUGYIJF-UHFFFAOYSA-N;98.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100983;MM100983;CCC1CCC1C;GTNFKYXODAGZPL-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100984;MM100984;CC1CCC1CN;IAYACHHAXQZZTQ-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100985;MM100985;CC#CC1=CC(=N)C(=O)N1;SULBWOZCJMBNJQ-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100986;MM100986;CCC1CCC1N;QOGDUZDAPVKBAN-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100987;MM100987;NCC1CCC1O;QHFFTNZUBMAJDN-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100988;MM100988;CCC1CCC1F;QBIFTGCRGGWBGX-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100989;MM100989;NCC1CCC1F;IFFWJPPRKXYGIB-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100990;MM100990;CNC1CCC1C;BIPYRARQAGMXCW-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100991;MM100991;CNC1CCC1N;KURJYDCXNNSCAK-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100992;MM100992;CNC1CCC1O;DQLUYZIXOIJVAY-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100993;MM100993;COC1CCC1C;DRURENFFNAYFBV-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100994;MM100994;CCC1CNC1C;CROYAOYWUVCVRI-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100995;MM100995;CC1NCC1CN;OOKKOBLWBRZIRR-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100996;MM100996;CC1NCC1CO;HLRWSVXLHJIYGB-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100997;MM100997;CNC1CNC1C;KWQAWXCYQRPSQS-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100998;MM100998;COC1CNC1C;OJFKOVNOOLVGPQ-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM100999;MM100999;CCC1COC1C;ADBKJHCCJUZFAM-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101000;MM101000;CC1OCC1CN;DZMIZJTUALZYMV-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101001;MM101001;CNC1COC1C;RZJOEOLANYNRJB-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101002;MM101002;CCC1NCC1C;XJZUGCANAOHZQP-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101003;MM101003;CC1CNC1CN;QYNNWPIAMABODL-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101004;MM101004;CC1CNC1CO;NLFGNZMMTPEJIN-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101005;MM101005;CCC1NCC1N;IBCDWJRLGQFMMO-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101006;MM101006;CCC1OCC1C;ANULSIHYRBSZSF-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101007;MM101007;CCC1OCC1O;ZDMNHQBELHNSML-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101008;MM101008;CCC1OCC1F;JHPNAQQXVSQYKM-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101009;MM101009;CCC1CCN1C;RQAFYNVMQFTRQW-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101010;MM101010;CN1CCC1CN;QVSTZIIJZBVKNK-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101011;MM101011;CCN1CCC1C;JYYVWSBGHSHXTH-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101012;MM101012;C=CC1CCC1C;FKPJVOOSDHXSAN-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101013;MM101013;CC1CCC1C=O;UUZLIVUPHVEWFI-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101014;MM101014;CC1CCC1C#N;QKGPPNZASSTOSO-UHFFFAOYSA-N;95.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101015;MM101015;C=CC1CCC1N;GBXXRZURHHLNSV-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101016;MM101016;C=c1[nH]c(=N)c(=O)c(=C)o1;RXYDLIWDKIYYHF-UHFFFAOYSA-N;138.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101017;MM101017;O=CC1CCC1O;DEVRZHHIZDNETA-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101018;MM101018;N#CC1CCC1O;UIOXHIDHPXZAJJ-UHFFFAOYSA-N;97.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101019;MM101019;C=CC1CCC1F;SBDLFJHLAFFIKY-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101020;MM101020;N#CC1CCC1F;XESKOFGHHUXBPF-UHFFFAOYSA-N;99.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101021;MM101021;C=CC1CNC1C;AWSAMLFQTCJJMF-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101022;MM101022;CC1NCC1C=O;OWNNSQVQADSYNJ-UHFFFAOYSA-N;99.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101023;MM101023;C=CC1COC1C;WUMCQBTWDTVZOD-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101024;MM101024;CC1OCC1C=O;LIFCPYVJZPKNEI-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101025;MM101025;CC1OCC1C#N;DIXNJCRAPDBJHZ-UHFFFAOYSA-N;97.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101026;MM101026;C=CC1NCC1C;VFWROBJSYKPJDF-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101027;MM101027;CC1CNC1C=O;JTOFNDNZZIHZRD-UHFFFAOYSA-N;99.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101028;MM101028;CC1CNC1C#N;ITDBWASHDOKGPV-UHFFFAOYSA-N;96.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101029;MM101029;C=CC1NCC1N;NOIIFZWTSWJIFS-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101030;MM101030;C=NNCC(=NO)N(C)N;FRUSVWGFGLIKHA-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101031;MM101031;COC(=O)NC(=N)NC=O;KSRKPVWOAGDYQJ-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101032;MM101032;N#CC1NCC1F;VNJWBEMHYRGFME-UHFFFAOYSA-N;100.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101033;MM101033;C=CC1OCC1C;IKRZGIZBBCXWNH-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101034;MM101034;CC1COC1C=O;PUDWCCFHXCGFGX-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101035;MM101035;CC1COC1C#N;AHVLJEZYCYPKFF-UHFFFAOYSA-N;97.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101036;MM101036;C=CC1OCC1N;KTWXMAMKONMDPQ-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101037;MM101037;C=CC1OCC1F;ASLDMBQAFPHYRL-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101038;MM101038;N#CC1OCC1F;WAMMEZBEMVUFSS-UHFFFAOYSA-N;101.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101039;MM101039;C=CC1CCN1C;MYVYGIHNALZQFO-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101040;MM101040;CN1CCC1C#N;RSHBOFJLRKJXOQ-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101041;MM101041;CC1CCN1C=N;VLHPNRXCZSBHDN-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101042;MM101042;CC1CCN1C=O;FODUZCYQPQMDRI-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101043;MM101043;C=NN1CCC1C;BWYSDVLZTOGTAI-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101044;MM101044;C#CC1CCC1C;FKFOZDRHKXIXNH-UHFFFAOYSA-N;94.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101045;MM101045;C#CC1CCC1N;ZBNNMSCYYRUDLR-UHFFFAOYSA-N;95.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101046;MM101046;N=CN(C=NO)OCC=O;WFDVDDFFBNEHJD-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101047;MM101047;C#CC1CCC1F;LSYFHVKYLQHSMY-UHFFFAOYSA-N;98.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101048;MM101048;C#CC1CNC1C;QCTQDJBFUMFQSS-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101049;MM101049;C#CC1COC1C;QPDZLFWUZQQUFP-UHFFFAOYSA-N;96.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101050;MM101050;C#CC1NCC1C;IUGOJMIZCREVRH-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101051;MM101051;C#CC1NCC1N;QJLLHTBVWVZBDL-UHFFFAOYSA-N;96.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101052;MM101052;C#CC1OCC1C;FVGFTTISCVGQOE-UHFFFAOYSA-N;96.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101053;MM101053;C#CC1OCC1O;YLMCAZRZLJLYEZ-UHFFFAOYSA-N;98.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101054;MM101054;CCC1CCC1=O;FZZIOLFULBXCKD-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101055;MM101055;CCC1CNC1=O;QKYJNCKFUWTGFK-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101056;MM101056;CCC1COC1=O;XTGSXZNTCQDKDF-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101057;MM101057;Cn1c(N)cc(=NO)n1C;KEIXKBLQYQXETA-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101058;MM101058;CCC1OCC1=O;HNGLPBHYDHZTQD-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101059;MM101059;CCN1CCC1=O;AKTBZVFDHWKQAO-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101060;MM101060;CNN1CCC1=O;TWBYMUAUGXIELC-UHFFFAOYSA-N;100.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101061;MM101061;CON1CCC1=O;SIWTWZTWPJJQTQ-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101062;MM101062;C=CC1CCC1=O;PMKYQINGRWZIDG-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101063;MM101063;Cc1c(O)c(=O)n(O)n1N;DGCGLQOJVRVVHM-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101064;MM101064;C=CC1CNC1=O;KHBSQOFPJWQQDI-UHFFFAOYSA-N;97.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101065;MM101065;N#CC1CNC1=O;RUEISCJJXWRTPC-UHFFFAOYSA-N;96.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101066;MM101066;C=CC1COC1=O;BMUSXGIZGYITMN-UHFFFAOYSA-N;98.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101067;MM101067;ON=CC#CC1CN1;UPJSNVQZKBZKJJ-UHFFFAOYSA-N;110.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101068;MM101068;N#CC1NCC1=O;FIRWLCKDHYIJIR-UHFFFAOYSA-N;96.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101069;MM101069;C=CC1OCC1=O;LPYLQTXQQYIDQG-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101070;MM101070;N#CC1OCC1=O;KUAKSHDXWVQKER-UHFFFAOYSA-N;97.07;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101071;MM101071;C=CN1CCC1=O;SVKPOEIKEBFDDN-UHFFFAOYSA-N;97.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101072;MM101072;N=CN1CCC1=O;HNHCLZHBMOQERT-UHFFFAOYSA-N;98.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101073;MM101073;O=CN1CCC1=O;RERRYJMOMKQGKH-UHFFFAOYSA-N;99.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101074;MM101074;C=NN1CCC1=O;QRWWYDFGQBTMBD-UHFFFAOYSA-N;98.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101075;MM101075;C#CC1CNC1=O;GNYPBABFDPZIFZ-UHFFFAOYSA-N;95.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101076;MM101076;C#CC1COC1=O;GBDZNAOGNSMTDN-UHFFFAOYSA-N;96.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101077;MM101077;Cc1n[nH]c(NC=N)n1;YLWUELCGJYDECJ-UHFFFAOYSA-N;125.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101078;MM101078;C#CC1OCC1=O;URGFRMGTAVQARJ-UHFFFAOYSA-N;96.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101079;MM101079;CCC1CC1CC;AKOVCHSGJHQHEH-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101080;MM101080;CCC1CC1CN;PLCCCMJDLVVFPX-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101081;MM101081;Cn1cnc(CO)c1O;LCGWIASLGJDCMB-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101082;MM101082;CCC1CC1CF;ZXMKNFFGWAZHKD-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101083;MM101083;NCC1CC1CN;LMWNFXZQGNKNKG-UHFFFAOYSA-N;100.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101084;MM101084;NCC1CC1CO;CVFJLNNLCHRICT-UHFFFAOYSA-N;101.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101085;MM101085;NCC1CC1CF;HDLFQBXINZVJAT-UHFFFAOYSA-N;103.14;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101086;MM101086;OCC1CC1CO;SWXDNKVUVKMURJ-UHFFFAOYSA-N;102.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101087;MM101087;OCC1CC1CF;SRNRPIOIKOGDDG-UHFFFAOYSA-N;104.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101088;MM101088;FCC1CC1CF;RTWRYDNMPZRIJL-UHFFFAOYSA-N;106.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101089;MM101089;CCC1CC1NC;PTOQZSFXUOHRNJ-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101090;MM101090;CNC1CC1CN;MQJNOMDZJKPRLD-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101091;MM101091;CNC1CC1CO;WMYYEGJWHPNJFR-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101092;MM101092;CNC1CC1CF;HVTBGZBXAVAZBA-UHFFFAOYSA-N;103.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101093;MM101093;CCC1CC1OC;JQJYBKPZJNGFIF-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101094;MM101094;COC1CC1CN;SDDQGGMUUHLGKA-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101095;MM101095;COC1CC1CO;ZOWGHASCCBKIQY-UHFFFAOYSA-N;102.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101096;MM101096;COC1CC1CF;RALFUPJFWQZTKU-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101097;MM101097;CNC1CC1NC;IVILUQJUMVITIB-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101098;MM101098;CNC1CC1OC;YGEHFJSISMPXHE-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101099;MM101099;COC1CC1OC;OQZHZEIUUCSFDS-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101100;MM101100;CCC1NC1CN;GBMPDQDJIFHZNW-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101101;MM101101;CCC1NC1CF;KMHPZHQROUSSTJ-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101102;MM101102;NCC1NC1CN;ANDLFGZINFPCQE-UHFFFAOYSA-N;101.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101103;MM101103;NCC1NC1CO;BUQLGCSMEIKMIG-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101104;MM101104;NCC1NC1CF;IYWMHQSLPQICEJ-UHFFFAOYSA-N;104.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101105;MM101105;CC(=CF)C(=NO)NN;OKNYPAZMGMWUQF-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101106;MM101106;C=NN(C)CC(=NO)NN;DAUVCDCDEOZETN-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101107;MM101107;FCC1NC1CF;JDGCPFZXXOUKTQ-UHFFFAOYSA-N;107.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101108;MM101108;CCC1OC1CC;PCGTXZMDZGOMJG-UHFFFAOYSA-N;100.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101109;MM101109;CCC1OC1CN;JBLDEROKGTVFAT-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101110;MM101110;CCC1OC1CO;XEVKRTIYWSUXHP-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101111;MM101111;CCC1OC1CF;WJIBIWINUAHNSQ-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101112;MM101112;NCC1OC1CN;MGSITTFNPBMCRC-UHFFFAOYSA-N;102.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101113;MM101113;NCC1OC1CO;NRBIXNVROLDLJG-UHFFFAOYSA-N;103.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101114;MM101114;NCC1OC1CF;DGPAYSVHXCWDPU-UHFFFAOYSA-N;105.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101115;MM101115;OCC1OC1CO;PENWRXZLRDTNBI-UHFFFAOYSA-N;104.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101116;MM101116;OCC1OC1CF;AJNPVABFXXZXTB-UHFFFAOYSA-N;106.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101117;MM101117;FCC1OC1CF;PLZMJHNAUAEZNG-UHFFFAOYSA-N;108.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101118;MM101118;CCN1CC1CN;VSFMRYPUCAYEBS-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101119;MM101119;NC=CC(=NO)OCCO;XRRYJMFAEBIPCW-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101120;MM101120;CCN1CC1CF;JZZKVSRMAKLJMB-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101121;MM101121;CCC1CC1C=O;PQYXQQVRZALTGG-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101122;MM101122;Cc1nn(C)n(N)c1=NO;UULRTTUXWCWLHG-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101123;MM101123;O=CC1CC1CO;SDPNZOBJEWWZOW-UHFFFAOYSA-N;100.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101124;MM101124;N#CC1CC1CO;YRFBEHLXLHSHMV-UHFFFAOYSA-N;97.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101125;MM101125;C=CC1CC1CF;JTTWKXJUFBVRIS-UHFFFAOYSA-N;100.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101126;MM101126;O=CC1CC1CF;BBDYCTZQLPNUIB-UHFFFAOYSA-N;102.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101127;MM101127;N#CC1CC1CF;RUYKKOGVYJBKOH-UHFFFAOYSA-N;99.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101128;MM101128;C=CC1CC1NC;CHAPEJKJCMKASM-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101129;MM101129;CNC1CC1C=O;DZHZVGXEDYLDLF-UHFFFAOYSA-N;99.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101130;MM101130;C=CC1CC1OC;KEXJDRIDGBUTMG-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101131;MM101131;COC1CC1C=O;YUZAZWXGFYETIA-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101132;MM101132;COC1CC1C#N;VWKNDRRSYAYSBS-UHFFFAOYSA-N;97.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101133;MM101133;CCCc1cnc(O)[nH]1;XVRUDUVVABJXSC-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101134;MM101134;CCC1NC1C#N;DSQGUKOGADCRGZ-UHFFFAOYSA-N;96.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101135;MM101135;C=CC1NC1CN;NAQNCVZKPAQYLS-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101136;MM101136;NNC(=NNC=O)NN;STHHSEMUDSZKGH-UHFFFAOYSA-N;132.13;-3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101137;MM101137;CC(=O)NC(N=CN)=NO;RJDYGJXVIASGJH-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101138;MM101138;COC(=NC(=O)NN)NN;YQAGSQIFPIFGCB-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101139;MM101139;C=CC1NC1CF;KNROTPPQYYVDOE-UHFFFAOYSA-N;101.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101140;MM101140;CN(C=N)C(=O)NNC=O;LBGFALYTEYNNEH-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101141;MM101141;N#CC1NC1CF;FAVIBSUBPJJIMG-UHFFFAOYSA-N;100.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101142;MM101142;C=CC1OC1CC;AMXASLDHSQRSDI-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101143;MM101143;CCC1OC1C=O;LUABLAQHXYCWSU-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101144;MM101144;CCC1OC1C#N;LORSSKMLOGZTSS-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101145;MM101145;C=CC1OC1CN;KHQAIWISPCXKIT-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101146;MM101146;C=CC1OC1CO;JOODUMVMXMJPTD-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101147;MM101147;O=CC1OC1CO;WGJKKKQQZXYIIA-UHFFFAOYSA-N;102.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101148;MM101148;N#CC1OC1CO;YSMZKHYYIGBQOZ-UHFFFAOYSA-N;99.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101149;MM101149;C=CC1OC1CF;WVVMXOXEZPACFS-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101150;MM101150;O=CC1OC1CF;QQYVXYAZMWPHHF-UHFFFAOYSA-N;104.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101151;MM101151;N#CC1OC1CF;VEZHTIUQJPJMDE-UHFFFAOYSA-N;101.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101152;MM101152;CCC1CN1C=N;LTGYZJQUKCFKKF-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101153;MM101153;CCC1CN1C=O;ZCTIWIAHOGKIGQ-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101154;MM101154;N=CN1CC1CN;RFFYVEQXBMESBL-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101155;MM101155;NCC1CN1C=O;YYFBSXZEHKSNPI-UHFFFAOYSA-N;100.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101156;MM101156;N=CN1CC1CO;WGZBZSZMMKVTPM-UHFFFAOYSA-N;100.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101157;MM101157;O=CN1CC1CO;YXKXQOXRXLWCEV-UHFFFAOYSA-N;101.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101158;MM101158;N=CN1CC1CF;UZXBHFOKPTWBGY-UHFFFAOYSA-N;102.11;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101159;MM101159;O=CN1CC1CF;VKGCNNQAQZQGKV-UHFFFAOYSA-N;103.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101160;MM101160;C=NN1CC1CC;RTZJHAQQXZLGNX-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101161;MM101161;C=NN1CC1CN;PCWNCAHBVALDFZ-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101162;MM101162;C#CC(O)C(C=NO)=CN;CIUGLRNALWIHOB-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101163;MM101163;C=NN1CC1CF;YFGHTMFZFCXHCC-UHFFFAOYSA-N;102.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101164;MM101164;C=CC1CN1CC;RTIGFFNRPNYSRW-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101165;MM101165;CN=c1cc[nH]c(=O)nc1;GNAIWTCADYFQLL-UHFFFAOYSA-N;137.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101166;MM101166;CCN1CC1C#N;XLQPNZJVYYCSOT-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101167;MM101167;N=c1c(=NO)ccon1N;NCCRVLLUWBYGMC-UHFFFAOYSA-N;142.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101168;MM101168;C#CC1CC1CF;HXEJJSGMEWNQMN-UHFFFAOYSA-N;98.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101169;MM101169;C#CC1CC1OC;QBOLSVBWGFGSPJ-UHFFFAOYSA-N;96.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101170;MM101170;C#CC1NC1CC;LHGVXCIDORTACJ-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101171;MM101171;C#CC1NC1CN;PPAYASXLFUPUFE-UHFFFAOYSA-N;96.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101172;MM101172;Cn1c(N)cnnc1=NO;HKAIZNCFUXVKJM-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101173;MM101173;C#CC1NC1CF;ZFVQOFMQBOHOJC-UHFFFAOYSA-N;99.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101174;MM101174;C#CC1OC1CC;NXGVVLBTIBQWSV-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101175;MM101175;C#CC1OC1CN;SQQNZVQZBGGPEV-UHFFFAOYSA-N;97.12;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101176;MM101176;C#CC1OC1CO;FPNFHLKVWNNEJL-UHFFFAOYSA-N;98.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101177;MM101177;C#CC1OC1CF;YMMBEUDGURFWJI-UHFFFAOYSA-N;100.09;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101178;MM101178;C#CC1CN1CC;CUJKJYZLZPRWDK-UHFFFAOYSA-N;95.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101179;MM101179;C=CC1CC1C=O;VVRVSKFQOPUGNO-UHFFFAOYSA-N;96.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101180;MM101180;C=CC1CC1C#N;VAGHIDARRNMEOX-UHFFFAOYSA-N;93.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101181;MM101181;O=CC1CC1C=O;GWFLUFSOUNEMFG-UHFFFAOYSA-N;98.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101182;MM101182;N#CC1CC1C=O;LDFWACKVZPQYOM-UHFFFAOYSA-N;95.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101183;MM101183;CCN1CC1C(=NO)NN;MPNAJYVVQUJBGM-UHFFFAOYSA-N;144.18;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101184;MM101184;C=CC1NC1C#N;HIVFYWMDWXCBIK-UHFFFAOYSA-N;94.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101185;MM101185;CCc1cnc(O)[nH]1;YNKXUNTWNWDIED-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101186;MM101186;CC(CN1CC1)=NO;SMRPNBPGFNRPAT-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101187;MM101187;C=CC1OC1C=C;WVLXAFYCRVAZSM-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101188;MM101188;C=CC1OC1C=O;WNDCUQAUKGLDMB-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101189;MM101189;O=CC1OC1C=O;IRJHVNZVWOCVLV-UHFFFAOYSA-N;100.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101190;MM101190;N#CC1OC1C=O;NTNUPFCVHPXVFO-UHFFFAOYSA-N;97.07;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101191;MM101191;C=CC1CN1C=N;MBCNFSDFKHAOTJ-UHFFFAOYSA-N;96.13;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101192;MM101192;C=CC1CN1C=O;XBVPPXBNMFZLEY-UHFFFAOYSA-N;97.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101193;MM101193;N=CN1CC1C=O;QDEHHRCYCBEUSQ-UHFFFAOYSA-N;98.11;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101194;MM101194;Cc1c[nH]oc1=NN;HCQNGGNZEAJTHG-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101195;MM101195;N#CC1CN1C=O;YTXWLTAAWJGDSW-UHFFFAOYSA-N;96.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101196;MM101196;C=CC1CN1N=C;SQJVCKMBRXDSFJ-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101197;MM101197;CC1C(=N)NN=C1C#N;KXLXEXJKAKRUPI-UHFFFAOYSA-N;122.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101198;MM101198;C=NN1CC1C#N;ZNUNUVSADMWMTM-UHFFFAOYSA-N;95.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101199;MM101199;C#CC1CC1C=C;FCOAPYASWGCJSX-UHFFFAOYSA-N;92.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101200;MM101200;C#CC1CC1C=O;LDOHIQPRRFXVSI-UHFFFAOYSA-N;94.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101201;MM101201;Nc1nc(C=O)cn1O;IUZBOHRBPZVGCF-UHFFFAOYSA-N;127.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101202;MM101202;C#CC1OC1C=O;XIOOCHDNLKOELU-UHFFFAOYSA-N;96.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101203;MM101203;C#CC1CN1C=O;ZFWJDFXTPQXXLB-UHFFFAOYSA-N;95.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101204;MM101204;CCC1CCCC1;IFTRQJLVEBNKJK-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101205;MM101205;NCC1CCCC1;UBLYEVLMRSPMOG-UHFFFAOYSA-N;99.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101206;MM101206;C#CC(CC)C(=NO)NN;ALKAWQAVRNHEKT-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101207;MM101207;FCC1CCCC1;YYKWXZYVDGWGSF-UHFFFAOYSA-N;102.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101208;MM101208;CNC1CCCC1;KKTBUCVHSCATGB-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101209;MM101209;COC1CCCC1;SKTCDJAMAYNROS-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101210;MM101210;CCC1CCNC1;DZFFQSFNUBWNSF-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101211;MM101211;NCC1CCNC1;OQCUGPQOZNYIMV-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101212;MM101212;OCC1CCNC1;QOTUIIJRVXKSJU-UHFFFAOYSA-N;101.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101213;MM101213;FCC1CCNC1;AEHIVNSTDRLJBL-UHFFFAOYSA-N;103.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101214;MM101214;CNC1CCNC1;NGZYRKGJWYJGRS-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101215;MM101215;COC1CCNC1;BWRWNUQAQPAYCK-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101216;MM101216;CCC1CCOC1;AIUUAKHKOQFCKF-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101217;MM101217;NCC1CCOC1;CINJIXGRSTYIHP-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101218;MM101218;OCC1CCOC1;PCPUMGYALMOCHF-UHFFFAOYSA-N;102.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101219;MM101219;FCC1CCOC1;GZUDNYUMNBYTDW-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101220;MM101220;CNC1CCOC1;LQVZUXUQGFIYEK-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101221;MM101221;CCC1CCCN1;JFZLDRUSMYBXRI-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101222;MM101222;NCC1CCCN1;AUKXFNABVHIUAC-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101223;MM101223;OCC1CCCN1;HVVNJUAVDAZWCB-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101224;MM101224;FCC1CCCN1;WMCKMBIRRGZGLE-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101225;MM101225;CCC1CCCO1;IHMXVSZXHFTOFN-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101226;MM101226;NCC1CCCO1;YNOGYQAEJGADFJ-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101227;MM101227;OCC1CCCO1;BSYVTEYKTMYBMK-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101228;MM101228;COC1CCCO1;OKAMTPRCXVGTND-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101229;MM101229;CCC1COCO1;KWKXQCMPXDOLFS-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101230;MM101230;NCC1COCO1;NJYBVFSXBDLXHH-UHFFFAOYSA-N;103.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101231;MM101231;OCC1COCO1;BOHGAOWOIJMTPZ-UHFFFAOYSA-N;104.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101232;MM101232;COC1COCO1;KNRHJRDGBKUSFK-UHFFFAOYSA-N;104.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101233;MM101233;CCC1OCCO1;WEBRDDDJKLAXTO-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101234;MM101234;NCC1OCCO1;QXXRLUXAOFVOTE-UHFFFAOYSA-N;103.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101235;MM101235;CCN1CCCC1;ONQBOTKLCMXPOF-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101236;MM101236;C=CC1CCCC1;BEFDCLMNVWHSGT-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101237;MM101237;O=CC1CCCC1;VELDYOPRLMJFIK-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101238;MM101238;N#CC1CCCC1;SVPZJHKVRMRREG-UHFFFAOYSA-N;95.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101239;MM101239;C=CC1CCNC1;UIRSDPGHIARUJZ-UHFFFAOYSA-N;97.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101240;MM101240;O=CC1CCNC1;KDOLGICVVPEEHO-UHFFFAOYSA-N;99.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101241;MM101241;N#CC1CCNC1;DATJETPTDKFEEF-UHFFFAOYSA-N;96.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101242;MM101242;C=CC1CCOC1;GXZIKGUOPZOGHM-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101243;MM101243;O=CC1CCOC1;GSUBXIVOZXWGKF-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101244;MM101244;N#CC1CCOC1;OANDNNNKGULGJK-UHFFFAOYSA-N;97.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101245;MM101245;C=CC1CCCN1;XNVAUNOSRHPXCY-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101246;MM101246;O=CC1CCCN1;JIDDDPVQQUHACU-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101247;MM101247;C=CC1CCCO1;XIXWTBLGKIRXOP-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101248;MM101248;O=CC1CCCO1;BBNYLDSWVXSNOQ-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101249;MM101249;N#CC1CCCO1;RZZIKHSWRWWPAN-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101250;MM101250;C=CC1COCO1;GRBMFMTWBBLSRG-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101251;MM101251;O=CC1COCO1;DAFLOHLGKOOTKU-UHFFFAOYSA-N;102.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101252;MM101252;N#CC1COCO1;XWDOOXKEYHCQRT-UHFFFAOYSA-N;99.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101253;MM101253;C=CC1OCCO1;KKBHSBATGOQADJ-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101254;MM101254;O=CC1OCCO1;SNVJQDDXKRVRCO-UHFFFAOYSA-N;102.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101255;MM101255;N#CC1OCCO1;CNURFKXXVWIURY-UHFFFAOYSA-N;99.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101256;MM101256;N=CN1CCCC1;XFUBSFDMXHJBPO-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101257;MM101257;O=CN1CCCC1;AGRIQBHIKABLPJ-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101258;MM101258;C=NN1CCCC1;KPPHCWRWILQADA-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101259;MM101259;N=CN1CCCN1;JDFQPOWVFRYLOR-UHFFFAOYSA-N;99.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101260;MM101260;O=CN1CCCN1;CVKHNAHUSBZHHG-UHFFFAOYSA-N;100.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101261;MM101261;N=CN1CCCO1;CFSXICADIVKYAI-UHFFFAOYSA-N;100.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101262;MM101262;O=CN1CCCO1;TYYZMLDXCQJWGK-UHFFFAOYSA-N;101.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101263;MM101263;C#CC1CCCC1;TXVJSWLZYQMWPC-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101264;MM101264;C#CC1CCNC1;HIUIQKBMXNDIOB-UHFFFAOYSA-N;95.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101265;MM101265;C#CC1CCOC1;YHAJZHXJKUOHJZ-UHFFFAOYSA-N;96.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101266;MM101266;C#CC1CCCN1;SODJJQTYBSNLPQ-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101267;MM101267;C#CC1CCCO1;DPVDWZKEDJNHKJ-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101268;MM101268;C#CC1COCO1;XVCFJJWRVHXMNA-UHFFFAOYSA-N;98.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101269;MM101269;C#CC1OCCO1;HNDSRQBMXGQWTD-UHFFFAOYSA-N;98.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101270;MM101270;CC=C1CCCC1;VONKRKBGTZDZNV-UHFFFAOYSA-N;96.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101271;MM101271;FC=C1CCCC1;BYROIBZTLRIYTK-UHFFFAOYSA-N;100.14;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101272;MM101272;NN=C1CCCC1;HUFXTMLATKDGEI-UHFFFAOYSA-N;98.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101273;MM101273;ON=C1CCCC1;YGNXYFLJZILPEK-UHFFFAOYSA-N;99.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101274;MM101274;CC=C1CCNC1;JXJYVPWTUATFSL-UHFFFAOYSA-N;97.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101275;MM101275;FC=C1CCNC1;XBMTWECWNWQXBN-UHFFFAOYSA-N;101.12;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101276;MM101276;NN=C1CCNC1;SCAONHFTTHPSGD-UHFFFAOYSA-N;99.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101277;MM101277;ON=C1CCNC1;HGAWACRPWVRCFI-UHFFFAOYSA-N;100.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101278;MM101278;CC=C1CCOC1;VLNRCGMLSHALLF-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101279;MM101279;FC=C1CCOC1;COUYFCJCBNJYGF-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101280;MM101280;NN=C1CCOC1;XAVNCWPLACKJPL-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101281;MM101281;ON=C1CCOC1;BOAYJPIROQICMO-UHFFFAOYSA-N;101.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101282;MM101282;CN=C1CCCN1;LSAWFHNFIJBGMR-UHFFFAOYSA-N;98.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101283;MM101283;NN=C1CCCN1;AZJIWGMIUQPPCU-UHFFFAOYSA-N;99.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101284;MM101284;COC(=NO)N(N)C=NO;BMLYGVANVVOABH-UHFFFAOYSA-N;148.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101285;MM101285;CN=C1CCNN1;GUDNYMHQQHTALN-UHFFFAOYSA-N;99.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101286;MM101286;CN=c1nnn(O)c(=N)[nH]1;BAQIVHWEHIRIQK-UHFFFAOYSA-N;142.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101287;MM101287;CN=C1CCON1;DTQWCUIFFJZKKZ-UHFFFAOYSA-N;100.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101288;MM101288;C#CC12CC(=NO)CC1N2;HIMUELOMXZMAIU-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101289;MM101289;ON=C1CCON1;QZTZCLXXLMPBLZ-UHFFFAOYSA-N;102.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101290;MM101290;CC=C1CCCO1;FLLKLVUMIZLEGM-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101291;MM101291;FC=C1CCCO1;CMTGRBHGSTUMLS-UHFFFAOYSA-N;102.11;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101292;MM101292;CCn1ncc(=NO)n1N;JVCRXBDJAJRTSZ-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101293;MM101293;ON=C1CCCO1;NXIWUDZEPSUCKR-UHFFFAOYSA-N;101.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101294;MM101294;CC=C1COCO1;YTAJOKMLZPHJBS-UHFFFAOYSA-N;100.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101295;MM101295;FC=C1COCO1;OUWYMCIRPABWNF-UHFFFAOYSA-N;104.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101296;MM101296;N#CCn1c(=N)[nH]oc1=N;REDKSQCDMSLZTC-UHFFFAOYSA-N;139.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101297;MM101297;ON=C1COCO1;XEHVHZNWYPPISD-UHFFFAOYSA-N;103.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101298;MM101298;CN=C1NCCN1;RBFIHIRGOXGJIG-UHFFFAOYSA-N;99.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101299;MM101299;NN=C1NCCN1;WIPKZLIKOXLWCF-UHFFFAOYSA-N;100.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101300;MM101300;N=C1C=C(CO)NC1=O;DSGQJMACNFKIKP-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101301;MM101301;ON=C1NCCO1;NAQCWYLGXMXVGR-UHFFFAOYSA-N;102.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101302;MM101302;CC(=O)NN=C(CF)NN;KIPCCJQKIIHVEV-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101303;MM101303;C#Cc1ncc(NC)n1O;ZYSHIEACNZWUBY-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101304;MM101304;ON=C1NOCO1;SRAOQTVVWHTSAB-UHFFFAOYSA-N;104.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101305;MM101305;C=C1NC(=O)C(=N)N1N;HYHWZHOGHNKIDG-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101306;MM101306;ON=C1OCCO1;LJGXQZLVYMESTL-UHFFFAOYSA-N;103.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101307;MM101307;CCC1CC=CC1;XWIUHPFMOVSNBE-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101308;MM101308;NCC1CC=CC1;MKLFRAVVYRKTRH-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101309;MM101309;N=CN(O)C=NC(=O)NN;ALSRAWKDKQLGPA-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101310;MM101310;FCC1CC=CC1;SHTSHDSTBAGKKQ-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101311;MM101311;CNC1CC=CC1;VFSJDHDSAIQLMF-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101312;MM101312;COC1CC=CC1;KTHYNBDPCSXGSI-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101313;MM101313;CCC1CC=NN1;RHYLDYHNTARSRG-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101314;MM101314;NCC1CC=NN1;IGZZNRWVYNWROG-UHFFFAOYSA-N;99.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101315;MM101315;NC(=NO)C1CC1(F)C=O;YGRQMTJYQXVEGY-UHFFFAOYSA-N;146.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101316;MM101316;FCC1CC=NN1;NFNNYRXUGSIABP-UHFFFAOYSA-N;102.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101317;MM101317;CCC1CN=CN1;JTWKIQDJJXAJJX-UHFFFAOYSA-N;98.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101318;MM101318;NCC1CN=CN1;JCVHFIYDTBZLCA-UHFFFAOYSA-N;99.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101319;MM101319;OCC1CN=CN1;HGWABUZZJBOQDS-UHFFFAOYSA-N;100.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101320;MM101320;FCC1CN=CN1;ONPULJIGFGYEMZ-UHFFFAOYSA-N;102.11;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101321;MM101321;CCC1CC=CO1;HYHMILBQJBUZKJ-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101322;MM101322;NCC1CC=CO1;JOQHQSHHAHZCQF-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101323;MM101323;OCC1CC=CO1;PIYKGXDXJLMPRB-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101324;MM101324;FCC1CC=CO1;RQWJZJBTVFPGBE-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101325;MM101325;COC1CC=CO1;LLZQUQVYWCUSAS-UHFFFAOYSA-N;100.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101326;MM101326;CCC1CC=NO1;QJKCCIUIFZXDKW-UHFFFAOYSA-N;99.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101327;MM101327;NCC1CC=NO1;CHPTUAHBVDCEPL-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101328;MM101328;CC(=O)NN=C(CO)NN;LOXJNAPVBMRMME-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101329;MM101329;COC1CC=NO1;OWNVYMJODIFNOK-UHFFFAOYSA-N;101.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101330;MM101330;CCC1OC=CO1;FXVRHHVNPLWWIR-UHFFFAOYSA-N;100.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101331;MM101331;NCC1OC=CO1;BDYNCSVQBBNPKD-UHFFFAOYSA-N;101.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101332;MM101332;OCC1OC=CO1;SPQSJCLCFQPWCM-UHFFFAOYSA-N;102.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101333;MM101333;CCC1OC=NO1;HSMJONUTUBTXDY-UHFFFAOYSA-N;101.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101334;MM101334;CCN1CC=CC1;RYXDWPSIUJOFHU-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101335;MM101335;C=CC1CC=CC1;SBAMFAXGFRIYFD-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101336;MM101336;O=CC1CC=CC1;RMCWOSMNBMMDPL-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101337;MM101337;N#CC1CC=CC1;JCHHHZHRUTYDLD-UHFFFAOYSA-N;93.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101338;MM101338;C=CC1CC=NN1;GLYZJOKBZXZGQG-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101339;MM101339;CC(=CF)C(=NO)N(C)N;OXRKPCWPLVYYTN-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101340;MM101340;CC=NNCC(=NO)NN;FPIHHHIKUFBAHA-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101341;MM101341;C=CC1CN=CN1;XGVHFVMQFONITF-UHFFFAOYSA-N;96.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101342;MM101342;C=CC1CC=CO1;CLHABWHCXVSOIY-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101343;MM101343;O=CC1CC=CO1;JCJWDTDATUGNMV-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101344;MM101344;N#CC1CC=CO1;OOFNCFPNVOKAIS-UHFFFAOYSA-N;95.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101345;MM101345;C=CC1CC=NO1;MTCOZOVFIXIYCB-UHFFFAOYSA-N;97.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101346;MM101346;N#Cc1c[nH]c(=NC=N)[nH]1;JKOYFVVRQUXGNV-UHFFFAOYSA-N;135.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101347;MM101347;N#CC1CC=NO1;XKHGDOMATZKMIL-UHFFFAOYSA-N;96.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101348;MM101348;C=CC1OC=CO1;PYEMMMUTGTWTRV-UHFFFAOYSA-N;98.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101349;MM101349;O=CC1OC=CO1;QNOSEVQGVTVWHK-UHFFFAOYSA-N;100.07;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101350;MM101350;N#CC1OC=CO1;QBYJIZRLUFXGOE-UHFFFAOYSA-N;97.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101351;MM101351;C=CC1OC=NO1;JPLPVNXBMIVJQU-UHFFFAOYSA-N;99.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101352;MM101352;O=CC1OC=NO1;QXSIUXHLEXVBLY-UHFFFAOYSA-N;101.06;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101353;MM101353;N=CN1CC=CC1;ZNWLVTWAZSQEKN-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101354;MM101354;O=CN1CC=CC1;YJQURFKYHRYPJW-UHFFFAOYSA-N;97.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101355;MM101355;C=NN1CC=CC1;BVDAXHKBOCTOJM-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101356;MM101356;C#CC1CC=CC1;BXTLKPBQDHKLOW-UHFFFAOYSA-N;92.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101357;MM101357;Cc1nc(O)[nH]c1C;JRKFAGHOOSDGOQ-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101358;MM101358;C#CC1CC=CO1;ZXSQTWPNOOKRQP-UHFFFAOYSA-N;94.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101359;MM101359;C#CC1CC=NO1;AQJHBDIMODCNIV-UHFFFAOYSA-N;95.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101360;MM101360;C#CC1OC=CO1;JXPBJUGEXBHUFA-UHFFFAOYSA-N;96.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101361;MM101361;C#CC1OC=NO1;NZKOUVCKUAUDCV-UHFFFAOYSA-N;97.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101362;MM101362;CC=C1CC=CC1;VDGSQSQNDFGHRP-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101363;MM101363;FC=C1CC=CC1;UMNAQYPRMQGCLJ-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101364;MM101364;NN=C1CC=CC1;UTGXOJXLPSIVLP-UHFFFAOYSA-N;96.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101365;MM101365;ON=C1CC=CC1;WIZBHNIDEDIZMQ-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101366;MM101366;CN=C1CC=CN1;LTYWYFTXLCRGSY-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101367;MM101367;NN=C1CC=CN1;HDWFZEPCFKQPQL-UHFFFAOYSA-N;97.12;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101368;MM101368;Nc1cc(=O)[nH]nc1N;BSHKONJAIOFTOH-UHFFFAOYSA-N;126.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101369;MM101369;CNc1cc(=O)[nH]nc1N;VEFZHONGQAJTJY-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101370;MM101370;NN=C(NN)N(O)C=NO;NVBSZXLXTTUUKC-UHFFFAOYSA-N;148.13;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101371;MM101371;ON=C1CC=NN1;SKOFHRYIQFUDCE-UHFFFAOYSA-N;99.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101372;MM101372;CC=C1CN=CN1;KIJKJOZJFVYWCT-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101373;MM101373;Cc1cnc(O)[nH]1;MCSCIFLXNFLCDV-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101374;MM101374;C=C1C(=N)NC(=O)N1C;MVASNLDXUZWHKH-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101375;MM101375;CC=C1CC=CO1;GXDHAPPIJKZXEQ-UHFFFAOYSA-N;96.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101376;MM101376;FC=C1CC=CO1;ALTGZBMIBZFFOC-UHFFFAOYSA-N;100.09;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101377;MM101377;N#CC=CC(C=CN)=NO;FEMKBEKTGKQOBI-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101378;MM101378;ON=C1CC=CO1;IBKRGOFFYUDKNP-UHFFFAOYSA-N;99.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101379;MM101379;NN=C1CC=NO1;QFSMAFTWAKPDPX-UHFFFAOYSA-N;99.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101380;MM101380;ON=C1CC=NO1;LFLXENUCOAPKKC-UHFFFAOYSA-N;100.08;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101381;MM101381;CN=c1[nH]cc[nH]1;ZYXHZCQMCOVXJW-UHFFFAOYSA-N;97.12;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101382;MM101382;NN=c1[nH]cc[nH]1;KRCJXGOZWLRNBO-UHFFFAOYSA-N;98.11;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101383;MM101383;N=c1[nH]c(F)c(F)n1O;YGGZANFMZVAKTJ-UHFFFAOYSA-N;135.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101384;MM101384;CNc1[nH]c(O)c(C)c1O;RRYOKULHFVVOGE-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101385;MM101385;N=c1c(=O)cc(O)on1N;GKASJXNCQDZIOW-UHFFFAOYSA-N;143.1;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101386;MM101386;C#Cc1cc(=NO)n(N)[nH]1;TUYFLVHMEMCGOQ-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101387;MM101387;CN=c1o[nH]c(C#N)c1C;PXERTFFGGXZSPV-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101388;MM101388;Cn1cc(F)c(=O)n1O;OKHOZWYFQHDANY-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101389;MM101389;O=c1[nH]oc2cc(F)nn12;OTKSIZRJJRLGJZ-UHFFFAOYSA-N;143.08;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101390;MM101390;Nc1nc(F)c(=O)[nH]c1O;VZNMUFCYEUCUAQ-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101391;MM101391;CCC1C=CCC1;HICUGGYRYZOXJI-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101392;MM101392;NCC1C=CCC1;KJYZLUGEZJSNTP-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101393;MM101393;CC(CN1CC1C)=NO;MHDFGVBXLZEDNW-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101394;MM101394;FCC1C=CCC1;AZZZIMVTESKNKJ-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101395;MM101395;CNC1C=CCC1;QIQHSADLTBMAEI-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101396;MM101396;COC1C=CCC1;PUNAFIBTAHETMN-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101397;MM101397;CCC1C=NNC1;PURFAFFESWRIKA-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101398;MM101398;NCC1C=NNC1;NAWSNDQLQLBIPN-UHFFFAOYSA-N;99.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101399;MM101399;N#CCOC(=NO)NC=N;INLKXPUPFWJKIA-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101400;MM101400;FCC1C=NNC1;JZBXTNGVGDSCEI-UHFFFAOYSA-N;102.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101401;MM101401;Cn1cc(N)ccc1=NO;BIRNBMSVTROCDT-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101402;MM101402;CCC1C=COC1;HYINXVBEJYIYMP-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101403;MM101403;NCC1C=COC1;NBRZLCAHFSWAFV-UHFFFAOYSA-N;99.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101404;MM101404;OCC1C=COC1;FZLVUKKTTQZWGL-UHFFFAOYSA-N;100.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101405;MM101405;FCC1C=COC1;NMWOEQZKAJZYEU-UHFFFAOYSA-N;102.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101406;MM101406;CNC1C=COC1;QUNSLGYMXSSMPT-UHFFFAOYSA-N;99.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101407;MM101407;COC1C=COC1;HTDVYDORDGAZCH-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101408;MM101408;CCC1C=NOC1;FMGXWQUFNAXILF-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101409;MM101409;NCC1C=NOC1;UTCILXRCDLXKIP-UHFFFAOYSA-N;100.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101410;MM101410;Cc1c(N)[nH]c(O)c1F;LAUBTQAKILWYOW-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101411;MM101411;FCC1C=NOC1;XPSKORQYQPKNGV-UHFFFAOYSA-N;103.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101412;MM101412;COC1C=NOC1;IXIXBVWDJAOECP-UHFFFAOYSA-N;101.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101413;MM101413;CCC1C=CCN1;ORNUPIIUYHGIQI-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101414;MM101414;NCC1C=CCN1;HILZADXAUOUISZ-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101415;MM101415;OCC1C=CCN1;KCJCTHAQPCGMBB-UHFFFAOYSA-N;99.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101416;MM101416;FCC1C=CCN1;MPFRHTQUAPJSEG-UHFFFAOYSA-N;101.12;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101417;MM101417;CCC1C=CCO1;MSUPQDUEBCMSHJ-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101418;MM101418;NCC1C=CCO1;JPWRXYLYZGYACF-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101419;MM101419;OCC1C=CCO1;WWLAVOQIMXATHS-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101420;MM101420;FCC1C=CCO1;FCHFAHKMUPUBHS-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101421;MM101421;CCN1C=NCC1;ASLICXGLMBICCD-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101422;MM101422;CCN1CCC=N1;PCXKKVLIZDSESW-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101423;MM101423;C=CC1C=CCC1;WBRNPACSUWTMKL-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101424;MM101424;O=CC1C=CCC1;COZFPWQAMFVQIA-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101425;MM101425;N#CC1C=CCC1;JYPNFPDSJNLMFC-UHFFFAOYSA-N;93.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101426;MM101426;C=CC1C=NNC1;VULVIQVUVPWOOU-UHFFFAOYSA-N;96.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101427;MM101427;N#CC1C=NNC1;XPGGBNQSHQPMPZ-UHFFFAOYSA-N;95.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101428;MM101428;C=CC1C=COC1;KFCFMILQRJOLGW-UHFFFAOYSA-N;96.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101429;MM101429;O=CC1C=COC1;YPIGSKCPWPZYBZ-UHFFFAOYSA-N;98.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101430;MM101430;N#CC1C=COC1;KZPGCXJIHWGTEP-UHFFFAOYSA-N;95.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101431;MM101431;C=CC1C=NOC1;ODXBIZNMCIDNKL-UHFFFAOYSA-N;97.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101432;MM101432;O=CC1C=NOC1;SMSGNSODFFTEKH-UHFFFAOYSA-N;99.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101433;MM101433;N#CC1C=NOC1;SJFGKPGCFBUKNK-UHFFFAOYSA-N;96.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101434;MM101434;C=CC1C=CCN1;SUNAQKCZCUADHC-UHFFFAOYSA-N;95.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101435;MM101435;O=CC1C=CCN1;WFOXXJVMTRNACV-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101436;MM101436;N#CC1C=CCN1;VQIIJUXZOKIDQY-UHFFFAOYSA-N;94.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101437;MM101437;C=CC1C=CCO1;REZKIQLTLBKIMT-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101438;MM101438;O=CC1C=CCO1;OPSFCABNRQOXMO-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101439;MM101439;N#CC1C=CCO1;ZPCMATFDVPRTBG-UHFFFAOYSA-N;95.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101440;MM101440;N=CN1C=CCC1;ACEDURYCRQOHEJ-UHFFFAOYSA-N;96.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101441;MM101441;O=CN1C=CCC1;ULRQTROKQGRLJW-UHFFFAOYSA-N;97.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101442;MM101442;C=CN1C=NCC1;HXVJQEGYAYABRY-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101443;MM101443;N=CN1C=NCC1;LFFUFVLIBRLBSL-UHFFFAOYSA-N;97.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101444;MM101444;C=NN1C=NCC1;CGEKBBFSYHYVSB-UHFFFAOYSA-N;97.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101445;MM101445;N=CN1CCC=N1;LDQITQZENXUISL-UHFFFAOYSA-N;97.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101446;MM101446;O=CN1CCC=N1;XQBNRXOJJGQXMO-UHFFFAOYSA-N;98.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101447;MM101447;N=CN1C=CCN1;OFOYNWOYJKMXEU-UHFFFAOYSA-N;97.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101448;MM101448;O=CN1C=CCN1;PJGTXVCRXTVGTP-UHFFFAOYSA-N;98.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101449;MM101449;O=CN1C=CCO1;OGFBBVUIYYJSQN-UHFFFAOYSA-N;99.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101450;MM101450;C#CC1C=CCC1;KVNUTINOSKEVSK-UHFFFAOYSA-N;92.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101451;MM101451;C#CC1C=NNC1;VOOCHTLLLKMDKD-UHFFFAOYSA-N;94.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101452;MM101452;C#CC1C=COC1;UXKBVYAWQLIWJO-UHFFFAOYSA-N;94.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101453;MM101453;C#CC1C=NOC1;JOTDWMQOSXLTGR-UHFFFAOYSA-N;95.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101454;MM101454;C#CC1C=CCN1;PJSFQBYSXLVOFW-UHFFFAOYSA-N;93.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101455;MM101455;C#CC1C=CCO1;VAUJUWLPAWQHNY-UHFFFAOYSA-N;94.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101456;MM101456;CC=C1C=CCC1;UGALXONOEQYOOW-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101457;MM101457;FC=C1C=CCC1;FZZVRQPWFOFMOX-UHFFFAOYSA-N;98.12;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101458;MM101458;CC(=O)NC(=O)ON=CN;MGAOATXJYRECHG-UHFFFAOYSA-N;145.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101459;MM101459;CN(N)C(CNC=O)=NO;JISTUBOTHHFPFW-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101460;MM101460;C#CC(CC1CN1C)=NO;ICJHNDPUYLKNIR-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101461;MM101461;CC=C1C=NNC1;ATHVMJMJGJRBAH-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101462;MM101462;FC=C1C=NNC1;IVGNBRJQMWILIF-UHFFFAOYSA-N;100.1;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101463;MM101463;CC1C(=NO)CNC1C#N;XACHZKQAMXOQDV-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101464;MM101464;ON=C1C=NNC1;BVWHVYKSBLDVRZ-UHFFFAOYSA-N;99.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101465;MM101465;CC=C1C=COC1;RKAOIXKORDOLPK-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101466;MM101466;FC=C1C=COC1;CJDIUZQXCBEZAK-UHFFFAOYSA-N;100.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101467;MM101467;NC=CC1=NCC(=O)N1;BIUNJMZPAFJOQG-UHFFFAOYSA-N;125.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101468;MM101468;ON=C1C=COC1;DUPKYHSYINKSKM-UHFFFAOYSA-N;99.09;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101469;MM101469;CC=C1C=NOC1;WEERSMNNCFCCBH-UHFFFAOYSA-N;97.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101470;MM101470;FC=C1C=NOC1;IPKKTJFAFQPFAZ-UHFFFAOYSA-N;101.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101471;MM101471;CC1(C#N)CC(=NO)CN1;YCVKLSNBABHRKW-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101472;MM101472;ON=C1C=NOC1;OZDGEVZADYBLHW-UHFFFAOYSA-N;100.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101473;MM101473;CN=C1C=CCN1;YEAAXFJSTYTFBH-UHFFFAOYSA-N;96.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101474;MM101474;NN=C1C=CCN1;BEVRPUYQPDSXOP-UHFFFAOYSA-N;97.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101475;MM101475;CN(C=O)CC(=NO)NN;GFOXDKYWMNDCOJ-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101476;MM101476;CC(C#N)NCCC=NO;YZDBSZWHXZBFOJ-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101477;MM101477;N=c1[nH]oc(=N)n1CC=O;IGAUJUPCSCGACG-UHFFFAOYSA-N;142.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101478;MM101478;CCC(C#CC1CN1)=NO;ASCBVKRNDDTSIX-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101479;MM101479;CNc1c[nH]nn1;ZOGSYJVIRUPBEA-UHFFFAOYSA-N;98.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101480;MM101480;CC(=NNC(N)=O)NN;GKQBRAHXNLDONV-UHFFFAOYSA-N;131.14;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101481;MM101481;ONc1c[nH]nn1;HNSHHGUITCNMPX-UHFFFAOYSA-N;100.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101482;MM101482;C=CC1=NCC(=O)N1C;MWFGQKVQWAGRFY-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101483;MM101483;CC(=O)NN=C(C)N(C)N;KGMNVSPRESLYQP-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101484;MM101484;ONc1ccon1;JUFVYKHSSCKKJK-UHFFFAOYSA-N;100.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101485;MM101485;CNc1cnon1;OUXDMWJYTDEYRZ-UHFFFAOYSA-N;99.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101486;MM101486;CC(=O)NN=CN(O)C=N;GEYADWLVAGSPAL-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101487;MM101487;ONc1cnon1;WKHZXKGRHIIOFG-UHFFFAOYSA-N;101.07;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101488;MM101488;Cn1c(=O)c(O)c(F)n1O;XXPYZCCDCBCZBY-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101489;MM101489;O=Cc1cc(=O)n(O)n1O;FCYTXMKSVKENRQ-UHFFFAOYSA-N;144.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101490;MM101490;O=c1cc(O)n(O)cn1;XNXMIBDQMVFEFI-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101491;MM101491;CC=C1C=CCO1;GBAXLPKHLOXMLE-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101492;MM101492;FC=C1C=CCO1;UUHRBKJKFPCGKJ-UHFFFAOYSA-N;100.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101493;MM101493;N=C(C=NO)N(N)C=NO;PWZZQZFYTVRJLL-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101494;MM101494;ON=C1C=CCO1;DMPKGHXMIGCLPE-UHFFFAOYSA-N;99.09;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101495;MM101495;CC1(CF)NC1CC=NO;PIMAGVBJHYTLAQ-UHFFFAOYSA-N;146.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101496;MM101496;ON=c1cc[nH]o1;ALCKNVMECKYANV-UHFFFAOYSA-N;100.08;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101497;MM101497;Oc1nc(O)c(O)o1;XLLFKDOEVVTMJR-UHFFFAOYSA-N;117.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101498;MM101498;Oc1cc(F)c(O)o1;KUBGYCPYFAOIGD-UHFFFAOYSA-N;118.06;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101499;MM101499;Cc1oc(O)cc1F;GFPBHZCQVKYVCM-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101500;MM101500;CCC1C=CC=C1;CLRIMWMVEVYXAK-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101501;MM101501;NCC1C=CC=C1;GPNCYLCEPIIPLL-UHFFFAOYSA-N;95.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101502;MM101502;OCC1C=CC=C1;YPYFWQGTUZSRIA-UHFFFAOYSA-N;96.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101503;MM101503;FCC1C=CC=C1;IQRITYPLLJLJAM-UHFFFAOYSA-N;98.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101504;MM101504;CNC1C=CC=C1;HLCMLSJSHXELSE-UHFFFAOYSA-N;95.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101505;MM101505;COC1C=CC=C1;AKNVJKNYVJKEDF-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101506;MM101506;CCC1C=NN=C1;SDWNDLYSLCNIHH-UHFFFAOYSA-N;96.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101507;MM101507;NCC1C=NN=C1;QAFXUQBYYITHCX-UHFFFAOYSA-N;97.12;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101508;MM101508;OCC1C=NN=C1;HEORHJUYTKQBGY-UHFFFAOYSA-N;98.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101509;MM101509;FCC1C=NN=C1;MPZPYWJLCZLGDY-UHFFFAOYSA-N;100.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101510;MM101510;COC1C=NN=C1;ZQBOZIBZIOEFTI-UHFFFAOYSA-N;98.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101511;MM101511;CCn1cccc1;VPUAYOJTHRDUTK-UHFFFAOYSA-N;95.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101512;MM101512;CNn1cccc1;XDBORIMSNLCXQK-UHFFFAOYSA-N;96.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101513;MM101513;COn1cccc1;OJRJVHIITWLOHD-UHFFFAOYSA-N;97.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101514;MM101514;CNn1ccnc1;CXYZOQGEPBFVCN-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101515;MM101515;COn1ccnc1;CGTUFAQEYJKZNR-UHFFFAOYSA-N;98.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101516;MM101516;CCn1cnnc1;SEAZNTDWFMFOKA-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101517;MM101517;CNn1cnnc1;ZYQVFAIBEOYOFM-UHFFFAOYSA-N;98.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101518;MM101518;COn1cnnc1;XORLGNJDWLGUES-UHFFFAOYSA-N;99.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101519;MM101519;CCn1cccn1;FLNMQGISZVYIIK-UHFFFAOYSA-N;96.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101520;MM101520;CNn1cccn1;RBYNIJBMUVLUHY-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101521;MM101521;COn1cccn1;DMTMXOSRFMOGIA-UHFFFAOYSA-N;98.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101522;MM101522;CCn1ccnn1;ALNWCYLRUYXLCD-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101523;MM101523;CNn1ccnn1;UFXATGYESZUEPX-UHFFFAOYSA-N;98.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101524;MM101524;COn1ccnn1;OYVSVWZQKZRGMT-UHFFFAOYSA-N;99.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101525;MM101525;CCn1cncn1;FEOIYPLRWRCSMS-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101526;MM101526;CNn1cncn1;MNUUNRFYXLYAEW-UHFFFAOYSA-N;98.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101527;MM101527;COn1cncn1;HTBSWKZHQBUQLD-UHFFFAOYSA-N;99.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101528;MM101528;CCn1cnnn1;PZDFYVBXRWSAON-UHFFFAOYSA-N;98.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101529;MM101529;CNn1cnnn1;CILBESHYXVFOLQ-UHFFFAOYSA-N;99.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101530;MM101530;COn1cnnn1;RDEOHABQSTUGQM-UHFFFAOYSA-N;100.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101531;MM101531;CCn1nccn1;JVBNBNSOSNMVRJ-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101532;MM101532;CCn1ncnn1;BGRKDLVBPMCBJW-UHFFFAOYSA-N;98.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101533;MM101533;C=CC1C=CC=C1;NIZYPQPOJRRFOA-UHFFFAOYSA-N;92.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101534;MM101534;O=CC1C=CC=C1;KARVQDZQWAUTBO-UHFFFAOYSA-N;94.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101535;MM101535;N#CC1C=CC=C1;FDXJRVMUANXFHL-UHFFFAOYSA-N;91.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101536;MM101536;C=CC1C=NN=C1;RZFSJLUZJJQBGQ-UHFFFAOYSA-N;94.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101537;MM101537;O=CC1C=NN=C1;MPKPYRUEDPNDLH-UHFFFAOYSA-N;96.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101538;MM101538;Nc1cc(=O)n(O)n1O;FOINLATUTOVHSQ-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101539;MM101539;C=Cn1cccc1;CTXUTPWZJZHRJC-UHFFFAOYSA-N;93.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101540;MM101540;N=Cn1cccc1;VNDCWVYSIAWUCQ-UHFFFAOYSA-N;94.12;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101541;MM101541;O=Cn1cccc1;PLAHHVUZRZZLQN-UHFFFAOYSA-N;95.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101542;MM101542;C=Nn1cccc1;LJIKZKXYKIENFH-UHFFFAOYSA-N;94.12;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101543;MM101543;C=Cn1ccnc1;OSSNTDFYBPYIEC-UHFFFAOYSA-N;94.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101544;MM101544;O=Cn1ccnc1;XBECWGJPSXHFCS-UHFFFAOYSA-N;96.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101545;MM101545;C=Cn1cnnc1;DCURAKAONUGYGM-UHFFFAOYSA-N;95.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101546;MM101546;N=Cn1cnnc1;SRMHPALHLKZSQL-UHFFFAOYSA-N;96.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101547;MM101547;O=Cn1cnnc1;XOMCEUXMQDMQHV-UHFFFAOYSA-N;97.08;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101548;MM101548;C=Cn1cccn1;NWHSSMRWECHZEP-UHFFFAOYSA-N;94.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101549;MM101549;N=Cn1cccn1;SDBGNQMMCNJHTM-UHFFFAOYSA-N;95.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101550;MM101550;O=Cn1cccn1;DXKXZXHDDYMNSU-UHFFFAOYSA-N;96.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101551;MM101551;C=Nn1cccn1;LJRPQSRWJGULLQ-UHFFFAOYSA-N;95.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101552;MM101552;C=Cn1ccnn1;GIVBQSUFWURSOS-UHFFFAOYSA-N;95.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101553;MM101553;N=Cn1ccnn1;MMJZQPNCOIIWAS-UHFFFAOYSA-N;96.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101554;MM101554;O=Cn1ccnn1;NLSKERUUJZQBRI-UHFFFAOYSA-N;97.08;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101555;MM101555;C=Nn1ccnn1;KHGULYIFZAHXKE-UHFFFAOYSA-N;96.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101556;MM101556;C=Cn1cncn1;ITUNZCVRYICLQM-UHFFFAOYSA-N;95.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101557;MM101557;N=Cn1cncn1;DJSAMZNRBKQDFA-UHFFFAOYSA-N;96.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101558;MM101558;O=Cn1cncn1;PPIDVODCAFOBMT-UHFFFAOYSA-N;97.08;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101559;MM101559;C=Nn1cncn1;IEKXLBYOURGGOM-UHFFFAOYSA-N;96.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101560;MM101560;C=Cn1cnnn1;LUHYKUNBEOOKRR-UHFFFAOYSA-N;96.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101561;MM101561;N=Cn1cnnn1;CZLQBTOGVAONMU-UHFFFAOYSA-N;97.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101562;MM101562;O=Cn1cnnn1;KCKSBALMCYIVMS-UHFFFAOYSA-N;98.07;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101563;MM101563;C=Nn1cnnn1;CIEONBHMKIYOOA-UHFFFAOYSA-N;97.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101564;MM101564;C=Cn1nccn1;AADHCMINPSGRES-UHFFFAOYSA-N;95.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101565;MM101565;N=Cn1nccn1;KHLVEHUUOSHYDV-UHFFFAOYSA-N;96.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101566;MM101566;O=Cn1nccn1;DFNRALGUNWBAOR-UHFFFAOYSA-N;97.08;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101567;MM101567;C=Cn1ncnn1;SMXBNUQBFUITJV-UHFFFAOYSA-N;96.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101568;MM101568;N=Cn1ncnn1;PPGDFKLVLHBSST-UHFFFAOYSA-N;97.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101569;MM101569;O=Cn1ncnn1;NBNWDZPXZBNZFU-UHFFFAOYSA-N;98.07;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101570;MM101570;C#CC1C=CC=C1;PCMMQWFXLQBFJC-UHFFFAOYSA-N;90.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101571;MM101571;C#CC1C=NN=C1;YHMBHPLRULQXPL-UHFFFAOYSA-N;92.1;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101572;MM101572;CC=C1C=CC=C1;ACGLURQVVOLIOD-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101573;MM101573;FC=C1C=CC=C1;FCEQMSZBAIPFIH-UHFFFAOYSA-N;96.1;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101574;MM101574;NN=C1C=CC=C1;RGQIMEQHPMKITQ-UHFFFAOYSA-N;94.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101575;MM101575;ON=C1C=CC=C1;HMSVURBHDSMWGT-UHFFFAOYSA-N;95.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101576;MM101576;O=Nc1cc[nH]c1;HNWKVQMFUYAZBJ-UHFFFAOYSA-N;96.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101577;MM101577;CCON=C(C=NO)NN;OOSDUSRGTXVQMY-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101578;MM101578;CN=c1ncoc(=NN)[nH]1;VEKNXQBPWNIPCI-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101579;MM101579;FC=C1C=NN=C1;ZBLYWIOFBOXRMP-UHFFFAOYSA-N;98.08;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101580;MM101580;N=Nc1cn[nH]c1;GQCOAGQIQKYNSD-UHFFFAOYSA-N;96.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101581;MM101581;CN=C1C=CC=N1;QZICRIIUIODSJB-UHFFFAOYSA-N;94.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101582;MM101582;NNC1=NCC(=O)N1;WKERJGOORWPEPI-UHFFFAOYSA-N;114.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101583;MM101583;O=Nc1ccc[nH]1;QDHZMNOYFINVEC-UHFFFAOYSA-N;96.09;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101584;MM101584;CN=C1C=NC=N1;UYFHGNJTRHDYOX-UHFFFAOYSA-N;95.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101585;MM101585;N=Nc1c[nH]cn1;MCAIYUSVNMUIPA-UHFFFAOYSA-N;96.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101586;MM101586;O=Nc1c[nH]cn1;CHOXHAVAKAHYNS-UHFFFAOYSA-N;97.08;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101587;MM101587;CN=C1N=CC=N1;OKSZKRFPDTYSSJ-UHFFFAOYSA-N;95.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101588;MM101588;CCC1=NCC(=O)N1C;XIIIIHKPPVAMEE-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101589;MM101589;CCC1=CCCC1;QYYQTLLGVAPKPN-UHFFFAOYSA-N;96.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101590;MM101590;NCC1=CCCC1;KETWSVNAKWAOJM-UHFFFAOYSA-N;97.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101591;MM101591;CCc1ncc(O)n1C;FRGASNQQRIZXMQ-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101592;MM101592;FCC1=CCCC1;FWAZFVDQEBOYIQ-UHFFFAOYSA-N;100.14;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101593;MM101593;COC1=CCCC1;GKIATJNLLNNGJV-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101594;MM101594;CCC1=COCC1;QNIPFLKWMWQKCT-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101595;MM101595;NCC1=COCC1;PYSXYFVFRKOWCP-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101596;MM101596;OCC1=COCC1;NBDHNFMRXZYAOO-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101597;MM101597;FCC1=COCC1;VVACXYWVPLHZCG-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101598;MM101598;COC1=COCC1;XWASILHMSZZXHI-UHFFFAOYSA-N;100.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101599;MM101599;CCC1=CCNC1;QQYXQLHQURSRMM-UHFFFAOYSA-N;97.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101600;MM101600;NCC1=CCNC1;RLAUJXSEGAAKKL-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101601;MM101601;OCC1=CCNC1;YILYZWYLIMDRKH-UHFFFAOYSA-N;99.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101602;MM101602;FCC1=CCNC1;ZZEVVFNNGBVEEK-UHFFFAOYSA-N;101.12;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101603;MM101603;COC1=CCNC1;PHGIJFKBLNDXFU-UHFFFAOYSA-N;99.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101604;MM101604;CCC1=CCOC1;KGLGCLRHKKNANH-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101605;MM101605;NCC1=CCOC1;DSLKBEGCYMEANM-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101606;MM101606;OCC1=CCOC1;WFSONOGRAUJPBL-UHFFFAOYSA-N;100.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101607;MM101607;FCC1=CCOC1;ONPPOIXBBDDFDE-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101608;MM101608;COC1=CCOC1;ZCFCSTKQKOOGPL-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101609;MM101609;CCC1=NNCC1;WYAQEFBMDQTMID-UHFFFAOYSA-N;98.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101610;MM101610;NNc1ccc(=O)[nH]n1;AUOOWVSXBJQNJO-UHFFFAOYSA-N;126.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101611;MM101611;FCC1=NNCC1;BUBKIWYUILGVAE-UHFFFAOYSA-N;102.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101612;MM101612;N=C(NC=O)NC(=O)CF;AWDHPGZXZQIJLB-UHFFFAOYSA-N;147.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101613;MM101613;CCC1=NOCC1;PQTVBURBBPZPEY-UHFFFAOYSA-N;99.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101614;MM101614;NCC1=NOCC1;MHFBJJKCSNFJEO-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101615;MM101615;N=c1nncnc(=NN)[nH]1;ZEWVAZFYJBPXRG-UHFFFAOYSA-N;139.12;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101616;MM101616;FCC1=NOCC1;NFBVFPVQMOQXCM-UHFFFAOYSA-N;103.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101617;MM101617;COC1=NOCC1;QDWJURNRKMVVNL-UHFFFAOYSA-N;101.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101618;MM101618;CCC1=NCCN1;QUPKCFBHJFNUEW-UHFFFAOYSA-N;98.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101619;MM101619;NCC1=NCCN1;LDRSQURIJAHKPI-UHFFFAOYSA-N;99.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101620;MM101620;OCC1=NCCN1;JBYVNJSQTCGHEU-UHFFFAOYSA-N;100.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101621;MM101621;CNC1=NCCN1;RBFIHIRGOXGJIG-UHFFFAOYSA-N;99.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101622;MM101622;NNC1=NCCN1;WIPKZLIKOXLWCF-UHFFFAOYSA-N;100.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101623;MM101623;ONC1=NCCN1;QARCCHGWDHJUNH-UHFFFAOYSA-N;101.11;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101624;MM101624;CCC1=CCCO1;CPMMVQJCVZTIRV-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101625;MM101625;NCC1=CCCO1;OMCUIFWWRXZOKC-UHFFFAOYSA-N;99.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101626;MM101626;OCC1=CCCO1;ORILXXPQYZFMDO-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101627;MM101627;FCC1=CCCO1;BHQLYGZSXIQLNQ-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101628;MM101628;CCC1=COCO1;FNPIPSQBSHTYSR-UHFFFAOYSA-N;100.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101629;MM101629;NCC1=COCO1;CORJZLCGYJOVNX-UHFFFAOYSA-N;101.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101630;MM101630;OCC1=COCO1;NYDSFSLOHPWVCQ-UHFFFAOYSA-N;102.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101631;MM101631;FCC1=COCO1;IKOZBJBQOGXLSE-UHFFFAOYSA-N;104.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101632;MM101632;CNNc1ccc(=O)[nH]n1;XTTQOSFTDDYHAY-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101633;MM101633;CCC1=NOCO1;HITZJYOSCUGSPM-UHFFFAOYSA-N;101.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101634;MM101634;OCC1=NOCO1;LEPSNYSBJDDLOR-UHFFFAOYSA-N;103.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101635;MM101635;FCC1=NOCO1;FFULOYUUHAVFCJ-UHFFFAOYSA-N;105.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101636;MM101636;CNC1=NOCO1;VDYGLPWAFMYMOR-UHFFFAOYSA-N;102.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101637;MM101637;N=C1NC(=O)CN1N;BCEFHGGPLLOPCO-UHFFFAOYSA-N;114.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101638;MM101638;C=CC1=NCC(=O)N1;NUCNDAFPZHWJMH-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101639;MM101639;COC1=NOCO1;OKLGWNORKZEIHN-UHFFFAOYSA-N;103.08;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101640;MM101640;C=CC1=CCCC1;ISSYTHPTTMFJKL-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101641;MM101641;O=CC1=CCCC1;RALDHUZFXJKFQB-UHFFFAOYSA-N;96.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101642;MM101642;N#CC1=CCCC1;XBVZRFXCDCYXAX-UHFFFAOYSA-N;93.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101643;MM101643;O=CC1=CNCC1;ZAQGQIBYQAYJLK-UHFFFAOYSA-N;97.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101644;MM101644;N#CC1=CNCC1;IFYAGUQDPOGTPG-UHFFFAOYSA-N;94.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101645;MM101645;C=CC1=COCC1;PFYQIAJEEUITHA-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101646;MM101646;O=CC1=COCC1;KGQQYFHAJQGVSX-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101647;MM101647;N#CC1=COCC1;HVBWVWRMHYJPIC-UHFFFAOYSA-N;95.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101648;MM101648;C=CC1=CCNC1;HZKLMOZDDJAIRE-UHFFFAOYSA-N;95.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101649;MM101649;O=CC1=CCNC1;NRYNMCVOFPMTBU-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101650;MM101650;C=CC1=CCOC1;YSOCGMWJYNDMPZ-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101651;MM101651;O=CC1=CCOC1;AIPNAPSKTKIEGP-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101652;MM101652;N#CC1=CCOC1;YXUASIAWVURRED-UHFFFAOYSA-N;95.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101653;MM101653;C=CC1=NNCC1;HFUFJBZWKSLHBC-UHFFFAOYSA-N;96.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101654;MM101654;CC1=NCC(=O)N1C;OQYIHIBMBLRSPR-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101655;MM101655;C=CCC1=NCC(=O)N1;SVGRVLOKNQQFOC-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101656;MM101656;C=CC1=NOCC1;UQYIBVFIERLBFK-UHFFFAOYSA-N;97.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101657;MM101657;O=CC1=NOCC1;FYUHJYXKXQVVRF-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101658;MM101658;N#CC1=NOCC1;HQNDSVJXFUFKEL-UHFFFAOYSA-N;96.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101659;MM101659;C=CC1=NCCN1;QDSPSYXUNKKWMN-UHFFFAOYSA-N;96.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101660;MM101660;O=CC1=NCCN1;RZFBDUIQAYMUIP-UHFFFAOYSA-N;98.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101661;MM101661;CC=CC1=NCC(=O)N1;LNMIGICSIRCIIX-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101662;MM101662;C=CC1=CCCO1;PGFKZWFWBYNKGP-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101663;MM101663;O=CC1=CCCO1;AKEUNKGGNNAMQL-UHFFFAOYSA-N;98.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101664;MM101664;N#CC1=CCCO1;ZMMRMSTYDMIIAH-UHFFFAOYSA-N;95.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101665;MM101665;C=CC1=COCO1;KMUMXTGQPRIYTC-UHFFFAOYSA-N;98.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101666;MM101666;O=CC1=COCO1;VRTZOIPOBBAYPL-UHFFFAOYSA-N;100.07;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101667;MM101667;N#CC1=COCO1;IKDMREAHMCMBIG-UHFFFAOYSA-N;97.07;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101668;MM101668;C=CC1=NOCO1;JZNKBAZBQJDHBM-UHFFFAOYSA-N;99.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101669;MM101669;O=CC1=NOCO1;GGRGXVKFKVBRQH-UHFFFAOYSA-N;101.06;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101670;MM101670;N#CC1=NOCO1;BHEXYTWAPIUADY-UHFFFAOYSA-N;98.06;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101671;MM101671;C#CC1=CCCC1;DKLBRQZIHLWMHU-UHFFFAOYSA-N;92.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101672;MM101672;C#CC1=COCC1;RJEXDHFZVRNRAD-UHFFFAOYSA-N;94.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101673;MM101673;C#CC1=CCNC1;NRYLQAYVTZMMPN-UHFFFAOYSA-N;93.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101674;MM101674;C#CC1=CCOC1;UQEVPLORMYEXPS-UHFFFAOYSA-N;94.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101675;MM101675;C#CC1=NNCC1;JPJFWICMVCWXMU-UHFFFAOYSA-N;94.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101676;MM101676;C#CC1=NOCC1;ZCDAANIWRUPQIZ-UHFFFAOYSA-N;95.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101677;MM101677;C#CC1=NCCN1;XUNJZELISXSICK-UHFFFAOYSA-N;94.12;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101678;MM101678;C#CC1=CCCO1;VKGXDCVAXCGIAC-UHFFFAOYSA-N;94.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101679;MM101679;C#CC1=COCO1;PFNINOQLMCKZOD-UHFFFAOYSA-N;96.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101680;MM101680;C#CC1=NOCO1;XOLSCOGGYXGMFC-UHFFFAOYSA-N;97.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101681;MM101681;CCC1=CC=CC1;IQSUNBLELDRPEY-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101682;MM101682;NCC1=CC=CC1;WGSXMWCZPJYPOH-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101683;MM101683;OCC1=CC=CC1;VVBKONZXRFCSIV-UHFFFAOYSA-N;96.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101684;MM101684;FCC1=CC=CC1;WXQWCQLNBBYVDC-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101685;MM101685;COC1=CC=CC1;KLZWUTJBIYIMMK-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101686;MM101686;CCC1=NN=CC1;FPYZFDHXDHKNGX-UHFFFAOYSA-N;96.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101687;MM101687;OCC1=NN=CC1;QJFUFQOKDSPZCU-UHFFFAOYSA-N;98.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101688;MM101688;FCC1=NN=CC1;JODRYADOFSLZJN-UHFFFAOYSA-N;100.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101689;MM101689;COC1=NN=CC1;NNMWXHUESWJREH-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101690;MM101690;CCc1ccc[nH]1;XRPDDDRNQJNHLQ-UHFFFAOYSA-N;95.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101691;MM101691;NCc1ccc[nH]1;YXMWGHKZTMANIJ-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101692;MM101692;OCc1ccc[nH]1;KORIJXKQGMTQTO-UHFFFAOYSA-N;97.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101693;MM101693;FCc1ccc[nH]1;BZPIQEVKMMWEBH-UHFFFAOYSA-N;99.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101694;MM101694;CCCC(=O)NN=C(C)N;CYGFDPQRGNLGTM-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101695;MM101695;COc1ccc[nH]1;FYXXJXKLTCPPHW-UHFFFAOYSA-N;97.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101696;MM101696;CCC(=O)NN=CN(C)N;VUOSBNQCHQXAEN-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101697;MM101697;CCCC(=O)NN=CNN;FXUJSMXGLOSTOY-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101698;MM101698;CC1(F)CC1C(=NO)NN;PNPOCWSBWSOBFG-UHFFFAOYSA-N;147.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101699;MM101699;CCC(=O)NN=CNN;FOUSANHCYUHIEY-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101700;MM101700;N=c1c(=O)[nH]c(N)cn1O;VADKGAOEWCUADH-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101701;MM101701;NC=CC(C#CCO)=NO;LCXIVWCLESATRD-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101702;MM101702;CCC1=NCC(=O)N1;NBOQCTZQZWICLB-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101703;MM101703;CCc1cnn[nH]1;SRZBHUBTUHPBDP-UHFFFAOYSA-N;97.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101704;MM101704;CNc1cnn[nH]1;ZOGSYJVIRUPBEA-UHFFFAOYSA-N;98.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101705;MM101705;C#CC=C(F)C(C=O)=NO;VZHSFIGAOGBWLI-UHFFFAOYSA-N;141.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101706;MM101706;CN1C(=N)N(N)CC1=O;FGJXHGCQXOFYMN-UHFFFAOYSA-N;128.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101707;MM101707;CCCC1=NCC(=O)N1;BDSFPJPUFHGKLX-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101708;MM101708;C=CNC1=NCC(=O)N1;FRHPYNHAHMEGQT-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101709;MM101709;CCc1nc[nH]n1;JDIPHBYZUMQFQV-UHFFFAOYSA-N;97.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101710;MM101710;OCc1nc[nH]n1;UDDMDSNULOKCLP-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101711;MM101711;FCc1nc[nH]n1;IGJDWWCIFAAOMO-UHFFFAOYSA-N;101.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101712;MM101712;CC1C(=N)NN=C1C=O;UWZRJNFPCOTUQL-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101713;MM101713;COc1nc[nH]n1;RTJOGNNUZQKPOE-UHFFFAOYSA-N;99.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101714;MM101714;CNc1ncn[nH]1;NOWPYQNOYJQXPV-UHFFFAOYSA-N;98.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101715;MM101715;CNc1nc(O)no1;XGMQWLYUJSFADA-UHFFFAOYSA-N;115.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101716;MM101716;N=c1cc(N)[nH]c(=O)n1O;CXWNLZCKSXGUCS-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101717;MM101717;Nc1nnc(=NO)oc1O;SYXDVWDUXYICRC-UHFFFAOYSA-N;144.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101718;MM101718;NN=c1on(O)c(O)c1O;VFUDQQYTKCXXKX-UHFFFAOYSA-N;147.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101719;MM101719;CCc1[nH]nc(O)c1C;FHYUXDOSOGAFCR-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101720;MM101720;CCc1ccco1;HLPIHRDZBHXTFJ-UHFFFAOYSA-N;96.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101721;MM101721;OCc1ccco1;XPFVYQJUAUNWIW-UHFFFAOYSA-N;98.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101722;MM101722;FCc1ccco1;PWDLMCXYIKGCFU-UHFFFAOYSA-N;100.09;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101723;MM101723;CNc1ccco1;OJSDIMLQIDMVNL-UHFFFAOYSA-N;97.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101724;MM101724;COc1ccco1;OXCGHDNCMSOEBZ-UHFFFAOYSA-N;98.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101725;MM101725;CCc1cnco1;YEPOTVONGBQFTP-UHFFFAOYSA-N;97.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101726;MM101726;OCc1cnco1;CRPXMLXYMBLZEP-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101727;MM101727;FCc1cnco1;BZKPTBJIUOFELR-UHFFFAOYSA-N;101.08;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101728;MM101728;CC1NC1C#CC=NO;PRKVKVRKTOOUBF-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101729;MM101729;COc1cnco1;HNYHDLOJKVORSF-UHFFFAOYSA-N;99.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101730;MM101730;CCc1ccno1;UTHNXNFIWJXWCI-UHFFFAOYSA-N;97.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101731;MM101731;OCc1ccno1;QOOSRUMHBCVQFK-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101732;MM101732;FCc1ccno1;HWJRCANMOJKYEK-UHFFFAOYSA-N;101.08;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101733;MM101733;COc1ccno1;GGQZKDXGZUMYSS-UHFFFAOYSA-N;99.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101734;MM101734;CCc1cnno1;HVLSRBYTOMTAJF-UHFFFAOYSA-N;98.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101735;MM101735;OCc1cnno1;MJFMYCFSWLEPMM-UHFFFAOYSA-N;100.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101736;MM101736;FCc1cnno1;ZYWTYXAQQHMKBC-UHFFFAOYSA-N;102.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101737;MM101737;CNc1cnno1;GRGIBRPRLHGMBY-UHFFFAOYSA-N;99.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101738;MM101738;COc1cnno1;WEMBIWMGGNFFPQ-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101739;MM101739;CCc1ncco1;SUCDHPJUXCCMDN-UHFFFAOYSA-N;97.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101740;MM101740;OCc1ncco1;IEHJKGRLVGZCMX-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101741;MM101741;FCc1ncco1;YJLBVDKCRKQQIY-UHFFFAOYSA-N;101.08;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101742;MM101742;CNC1=NC(OC)=NC1;XRZHRUXKPUZJIL-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101743;MM101743;COc1ncco1;PWEOTXCDKVNAFN-UHFFFAOYSA-N;99.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101744;MM101744;CCc1nnco1;DHNLWBALDJWTTH-UHFFFAOYSA-N;98.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101745;MM101745;OCc1nnco1;XRVNVDTWWMOZCA-UHFFFAOYSA-N;100.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101746;MM101746;FCc1nnco1;ZJKJTXAHPSJLHD-UHFFFAOYSA-N;102.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101747;MM101747;CNc1nnco1;OFRJEBLQKJTZMG-UHFFFAOYSA-N;99.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101748;MM101748;COc1nnco1;VLOCZPOGYIRFGH-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101749;MM101749;CCc1ncno1;DIUKGQCXFKKMFJ-UHFFFAOYSA-N;98.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101750;MM101750;OCc1ncno1;LNQWDIZCAIOBTL-UHFFFAOYSA-N;100.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101751;MM101751;FCc1ncno1;RMHRUOOVJZSFAB-UHFFFAOYSA-N;102.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101752;MM101752;CNc1ncno1;PVKVSGSPZCYQHZ-UHFFFAOYSA-N;99.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101753;MM101753;COc1ncno1;OKWSRUUMYHQAJG-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101754;MM101754;CCc1nnno1;IXZHBTDIKFVOSC-UHFFFAOYSA-N;99.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101755;MM101755;OCc1nnno1;FQEWHHJSJLBXQE-UHFFFAOYSA-N;101.07;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101756;MM101756;FCc1nnno1;FUGMHXNZAVSJEB-UHFFFAOYSA-N;103.06;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101757;MM101757;CNc1nnno1;DFNPJGBGAVBDDA-UHFFFAOYSA-N;100.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101758;MM101758;COc1nnno1;RNYDZWVQGYFSGG-UHFFFAOYSA-N;101.07;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101759;MM101759;C=CC1=CC=CC1;QCNANSHOVAHMSD-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101760;MM101760;O=CC1=CC=CC1;HPMRWTBJVLFWEO-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101761;MM101761;N#CC1=CC=CC1;KTPNQKDTYCBNCC-UHFFFAOYSA-N;91.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101762;MM101762;C=CC1=NN=CC1;HEFFLSPRFQSRDI-UHFFFAOYSA-N;94.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101763;MM101763;O=CC1=NN=CC1;OQFVVHAZVMBEJH-UHFFFAOYSA-N;96.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101764;MM101764;N#CC1=NN=CC1;ZBLHTONLHMDQPV-UHFFFAOYSA-N;93.09;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101765;MM101765;C=Cc1ccc[nH]1;MZNSQRLUUXWLSB-UHFFFAOYSA-N;93.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101766;MM101766;N#Cc1ccc[nH]1;BQMPGKPTOHKYHS-UHFFFAOYSA-N;92.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101767;MM101767;CC(=O)NN=C(C)N(C)C;FQOOYBPHNXGBHX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101768;MM101768;C=Nn1ccc(=O)c(=O)[nH]1;SISZDFNJZWXHQQ-UHFFFAOYSA-N;139.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101769;MM101769;N#Cc1c[nH]cn1;NWVGXXPWOYZODV-UHFFFAOYSA-N;93.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101770;MM101770;CCN(N)C=NNC(N)=O;PVWMSIHNYYWFNR-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101771;MM101771;Nn1c(O)ccnc1=O;HURSGCFGRKOWEY-UHFFFAOYSA-N;127.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101772;MM101772;N#Cc1cc[nH]n1;YMJLEPMVGQBLHL-UHFFFAOYSA-N;93.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101773;MM101773;C=Cc1cnn[nH]1;MCXLQFOCWZMFHV-UHFFFAOYSA-N;95.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101774;MM101774;Nn1[nH]cc(CF)c1=O;QFCYMDFLPOVJOP-UHFFFAOYSA-N;131.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101775;MM101775;O=Cc1ncc[nH]1;XYHKNCXZYYTLRG-UHFFFAOYSA-N;96.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101776;MM101776;N#Cc1ncc[nH]1;QMQZIXCNLUPEIN-UHFFFAOYSA-N;93.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101777;MM101777;C=Cc1nc[nH]n1;BFPBKEWLBZWGPQ-UHFFFAOYSA-N;95.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101778;MM101778;CCc1nc(=NO)o[nH]1;XENUDOJJUVMMTQ-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101779;MM101779;N#Cc1nc[nH]n1;GUQHFZFTGHNVDG-UHFFFAOYSA-N;94.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101780;MM101780;N=CNC(=O)C(O)C=NO;RCLSIAYXWCCCPD-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101781;MM101781;Cc1c(F)n(N)n(O)c1=O;DEKAFNFNQUMAHQ-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101782;MM101782;Nc1c(O)c(F)n(O)c1N;YAQUQEFPRLNPAE-UHFFFAOYSA-N;147.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101783;MM101783;C=Cc1ccco1;QQBUHYQVKJQAOB-UHFFFAOYSA-N;94.11;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101784;MM101784;O=Cc1ccco1;HYBBIBNJHNGZAN-UHFFFAOYSA-N;96.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101785;MM101785;N#Cc1ccco1;YXDXXGXWFJCXEB-UHFFFAOYSA-N;93.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101786;MM101786;C=Cc1cnco1;CDHFJMAKBNRMFE-UHFFFAOYSA-N;95.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101787;MM101787;O=Cc1cnco1;YOFJBRZKRZUDGB-UHFFFAOYSA-N;97.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101788;MM101788;N#Cc1cnco1;BSNIXNVMYNRRMG-UHFFFAOYSA-N;94.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101789;MM101789;C=Cc1ccno1;ZDJWVRSLZWIXGG-UHFFFAOYSA-N;95.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101790;MM101790;O=Cc1ccno1;GSIPOZWLYGLXDM-UHFFFAOYSA-N;97.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101791;MM101791;N#Cc1ccno1;MCCCJBNRMFLROD-UHFFFAOYSA-N;94.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101792;MM101792;C=Cc1cnno1;KLUIOOJNMUMPAC-UHFFFAOYSA-N;96.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101793;MM101793;O=Cc1cnno1;DKKDUVZTZHWOIG-UHFFFAOYSA-N;98.06;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101794;MM101794;N#Cc1cnno1;QDTOWROMMFMKDC-UHFFFAOYSA-N;95.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101795;MM101795;C=Cc1ncco1;PGMMQIGGQSIEGH-UHFFFAOYSA-N;95.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101796;MM101796;O=Cc1ncco1;TYHOSUCCUICRLM-UHFFFAOYSA-N;97.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101797;MM101797;N#Cc1ncco1;UUAXDPHPSHEGQQ-UHFFFAOYSA-N;94.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101798;MM101798;C=Cc1nnco1;VJUFNBVMMBSKAZ-UHFFFAOYSA-N;96.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101799;MM101799;O=Cc1nnco1;JRHGBKDABZXVDJ-UHFFFAOYSA-N;98.06;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101800;MM101800;N#Cc1nnco1;IDYVAXKIWCQRKL-UHFFFAOYSA-N;95.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101801;MM101801;C=Cc1ncno1;UVDJNQXOTJTZHL-UHFFFAOYSA-N;96.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101802;MM101802;O=Cc1ncno1;PNVGNXMMNYEIQK-UHFFFAOYSA-N;98.06;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101803;MM101803;N#Cc1ncno1;XIUNCPOHKUVIAF-UHFFFAOYSA-N;95.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101804;MM101804;C=Cc1nnno1;IUJUHMLRNYJWFU-UHFFFAOYSA-N;97.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101805;MM101805;O=Cc1nnno1;JZWIYFGUVIUHFU-UHFFFAOYSA-N;99.05;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101806;MM101806;N#Cc1nnno1;QKUMXCQNJCCJKD-UHFFFAOYSA-N;96.05;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101807;MM101807;C#CC1=CC=CC1;FRQKOSLXBHINIE-UHFFFAOYSA-N;90.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101808;MM101808;C#CC1=NN=CC1;GDHZIVAANYMCNW-UHFFFAOYSA-N;92.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101809;MM101809;C#Cc1ccc[nH]1;IBHAUHPHCOMUJR-UHFFFAOYSA-N;91.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101810;MM101810;C=CN(N)C=NNC(C)=O;NOMGMXMGSSFZFJ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101811;MM101811;NC(CC(F)=CC=O)=NO;WNHBBZDAWHOOKO-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101812;MM101812;N=C(CCO)N(O)C=NO;YVWNNHWNUDMQPA-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101813;MM101813;C#Cc1nc[nH]n1;CVXKEBGELPNCFY-UHFFFAOYSA-N;93.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101814;MM101814;C#CC1NC1C(CO)=NO;JGOBPGZNGFPKSX-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101815;MM101815;C#Cc1ccco1;CTVCBOZMKFQEAP-UHFFFAOYSA-N;92.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101816;MM101816;C#Cc1cnco1;NWYZPPNCZZBNGE-UHFFFAOYSA-N;93.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101817;MM101817;C#Cc1ccno1;ZEYBVOLUXFJZTM-UHFFFAOYSA-N;93.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101818;MM101818;C#Cc1cnno1;CXWZAISHFNBYQH-UHFFFAOYSA-N;94.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101819;MM101819;C#Cc1ncco1;MDHZULUDMSSOSC-UHFFFAOYSA-N;93.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101820;MM101820;C#Cc1nnco1;OBYOYCAJKHQMDW-UHFFFAOYSA-N;94.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101821;MM101821;C#Cc1ncno1;HLBODBSCTMZZPW-UHFFFAOYSA-N;94.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101822;MM101822;C#Cc1nnno1;MBCKFIQMECZXOM-UHFFFAOYSA-N;95.06;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101823;MM101823;CCC1=CCC=C1;CBQAACXHLISDSO-UHFFFAOYSA-N;94.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101824;MM101824;NCC1=CCC=C1;OAJOLMHJKJUWQJ-UHFFFAOYSA-N;95.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101825;MM101825;OCC1=CCC=C1;LFTORPHWIDGTTH-UHFFFAOYSA-N;96.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101826;MM101826;FCC1=CCC=C1;VGHLEJXLRWQPLW-UHFFFAOYSA-N;98.12;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101827;MM101827;COC1=CCC=C1;FKSYGEBHBFSGHK-UHFFFAOYSA-N;96.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101828;MM101828;CCc1cc[nH]c1;RLLBWIDEGAIFPI-UHFFFAOYSA-N;95.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101829;MM101829;NCc1cc[nH]c1;YECAHBRVIMAHCI-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101830;MM101830;OCc1cc[nH]c1;KQBJJBPSKBSJTM-UHFFFAOYSA-N;97.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101831;MM101831;FCc1cc[nH]c1;XGDZIJZJTBJITG-UHFFFAOYSA-N;99.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101832;MM101832;CC(=O)NCC(=NO)NN;NQSUUKVFMQJYOQ-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101833;MM101833;COc1cc[nH]c1;OTODBDQJLMYYKQ-UHFFFAOYSA-N;97.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101834;MM101834;CCc1ccoc1;RPCHNECSJGMRGP-UHFFFAOYSA-N;96.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101835;MM101835;NCc1ccoc1;XNABHFLZYMCJHE-UHFFFAOYSA-N;97.12;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101836;MM101836;OCc1ccoc1;STJIISDMSMJQQK-UHFFFAOYSA-N;98.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101837;MM101837;FCc1ccoc1;QCYGCTHWBSWONQ-UHFFFAOYSA-N;100.09;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101838;MM101838;CNc1ccoc1;MWGDLKOUVWZMCN-UHFFFAOYSA-N;97.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101839;MM101839;COc1ccoc1;VMMAQHURVWNQOM-UHFFFAOYSA-N;98.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101840;MM101840;N=c1[nH]oc(=N)n1C=NN;SKEKBUTYWXWAPZ-UHFFFAOYSA-N;142.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101841;MM101841;NCc1cn[nH]c1;LIDZELUIEIAIDJ-UHFFFAOYSA-N;97.12;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101842;MM101842;CC1=NCC(=O)N1;BMXVNDCWQYPPAB-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101843;MM101843;CCC(F)=CC(=NO)NN;ZHEKDUFTPNZHKW-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101844;MM101844;C#CC(N)=C(C=NO)CC;VCDIGAFWKCVYAY-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101845;MM101845;CC=Cc1c[nH]c(=NO)[nH]1;KDGVLSDPLPDAKS-UHFFFAOYSA-N;139.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101846;MM101846;CCc1cnoc1;UUDFJRNNVALHDT-UHFFFAOYSA-N;97.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101847;MM101847;OCc1cnoc1;YUXAURUEOIQGKA-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101848;MM101848;FCc1cnoc1;GPVWLRXPSOANFE-UHFFFAOYSA-N;101.08;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101849;MM101849;CNc1cnoc1;IQIGULZSLJFEJZ-UHFFFAOYSA-N;98.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101850;MM101850;COc1cnoc1;VGPMYTSIYXMWIT-UHFFFAOYSA-N;99.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101851;MM101851;CCc1ccon1;LTUABJAYJRTHEH-UHFFFAOYSA-N;97.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101852;MM101852;OCc1ccon1;GBCAGXLDCTZCCT-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101853;MM101853;FCc1ccon1;AMFCMDFPYYGCAF-UHFFFAOYSA-N;101.08;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101854;MM101854;COc1ccon1;HFBFCQCSROAYNJ-UHFFFAOYSA-N;99.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101855;MM101855;CCc1c[nH]nn1;SRZBHUBTUHPBDP-UHFFFAOYSA-N;97.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101856;MM101856;OCc1cn[nH]n1;OADYBXHYXPEGHX-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101857;MM101857;FCc1c[nH]nn1;NUAWODFBNJDSFM-UHFFFAOYSA-N;101.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101858;MM101858;COc1c[nH]nn1;YOMUZHDQFPQJEO-UHFFFAOYSA-N;99.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101859;MM101859;CCc1cnon1;RCSMLUCOMXUIIS-UHFFFAOYSA-N;98.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101860;MM101860;OCc1cnon1;MSRVURUJSZOIGM-UHFFFAOYSA-N;100.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101861;MM101861;FCc1cnon1;FDRRDLXQCUZBMC-UHFFFAOYSA-N;102.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101862;MM101862;COc1cnon1;NTJXZEZVTYZQLJ-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101863;MM101863;CCc1cocn1;GQPBBURQQRLAKF-UHFFFAOYSA-N;97.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101864;MM101864;OCc1cocn1;BKHIXCNJVHVHAG-UHFFFAOYSA-N;99.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101865;MM101865;FCc1cocn1;ZOTVRNIOWMVLTJ-UHFFFAOYSA-N;101.08;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101866;MM101866;C=C1NC(=O)N(C)C1=N;KYXSMCYMIYFWQN-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101867;MM101867;COc1cocn1;GJKXGXUYBNNXIQ-UHFFFAOYSA-N;99.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101868;MM101868;OCc1c[nH]nn1;OADYBXHYXPEGHX-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101869;MM101869;CCc1conn1;KVEZAPRUAHTTFE-UHFFFAOYSA-N;98.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101870;MM101870;OCc1conn1;NCBODASDUGETPN-UHFFFAOYSA-N;100.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101871;MM101871;FCc1conn1;YATSOIYRIWTIHV-UHFFFAOYSA-N;102.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101872;MM101872;COc1conn1;DMANMRRMUSBEOH-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101873;MM101873;CCc1ncon1;ARCSBFATIFHVTF-UHFFFAOYSA-N;98.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101874;MM101874;OCc1ncon1;ZMDNYIYWXSFKSQ-UHFFFAOYSA-N;100.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101875;MM101875;FCc1ncon1;CREJDZKNFJVWFY-UHFFFAOYSA-N;102.07;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101876;MM101876;CNc1ncon1;FCEHAECKDFIHSD-UHFFFAOYSA-N;99.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101877;MM101877;COc1ncon1;LILWQPNIQCTSCE-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101878;MM101878;NN=c1[nH]c(=NN)n(O)o1;CBTMOPWNNBRMAD-UHFFFAOYSA-N;146.11;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101879;MM101879;Cn1oc(F)c(O)c1=NN;YOPJFFZMHXEVEL-UHFFFAOYSA-N;147.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101880;MM101880;NN=c1[nH]n(N)c(=NO)o1;GZGOIIFIZQIUAQ-UHFFFAOYSA-N;146.11;-2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101881;MM101881;O=Cn1nnc(=O)[nH]1;UVOFTLTXLORHAB-UHFFFAOYSA-N;114.06;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101882;MM101882;CCc1nnon1;JOGOYSBWANBROZ-UHFFFAOYSA-N;99.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101883;MM101883;OCc1nnon1;LOENDSQZOXSJIQ-UHFFFAOYSA-N;101.07;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101884;MM101884;FCc1nnon1;AMTPJVKFWUQQGG-UHFFFAOYSA-N;103.06;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101885;MM101885;CNc1nnon1;VBWVYDJGUFBUQA-UHFFFAOYSA-N;100.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101886;MM101886;COc1nnon1;MFCANVWOYKQQSD-UHFFFAOYSA-N;101.07;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101887;MM101887;C=CC1=CCC=C1;CDIHIFPTDGHNFE-UHFFFAOYSA-N;92.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101888;MM101888;O=CC1=CCC=C1;DQMJLCSIZHIBGF-UHFFFAOYSA-N;94.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101889;MM101889;N#CC1=CCC=C1;JLLQBZZFJMBBOV-UHFFFAOYSA-N;91.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101890;MM101890;C=Cc1cc[nH]c1;PLXFPCQGPZECLF-UHFFFAOYSA-N;93.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101891;MM101891;N#Cc1cc[nH]c1;PCYWMDGJYQAMCR-UHFFFAOYSA-N;92.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101892;MM101892;C=Cc1ccoc1;CYFIOEQOOFDASY-UHFFFAOYSA-N;94.11;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101893;MM101893;O=Cc1ccoc1;AZVSIHIBYRHSLB-UHFFFAOYSA-N;96.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101894;MM101894;N#Cc1ccoc1;ZQFYJHMUAWCEBH-UHFFFAOYSA-N;93.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101895;MM101895;C#CCn1nc(O)c(=O)o1;FHHHOTCRYSSXAL-UHFFFAOYSA-N;140.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101896;MM101896;N#Cc1cn[nH]c1;NUGZBVBZIDWZAD-UHFFFAOYSA-N;93.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101897;MM101897;C=Cc1cnoc1;FGAWKGGAZPCQGF-UHFFFAOYSA-N;95.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101898;MM101898;O=Cc1cnoc1;BLOZNQVFQCOHRW-UHFFFAOYSA-N;97.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101899;MM101899;N#Cc1cnoc1;ONJYXAHBSGPICV-UHFFFAOYSA-N;94.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101900;MM101900;C=Cc1ccon1;WHALRBQHHBHKEO-UHFFFAOYSA-N;95.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101901;MM101901;O=Cc1ccon1;WNVZOHNNPDZYFN-UHFFFAOYSA-N;97.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101902;MM101902;N#Cc1ccon1;QUBXULZTCLXFRV-UHFFFAOYSA-N;94.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101903;MM101903;C=Cc1c[nH]nn1;MCXLQFOCWZMFHV-UHFFFAOYSA-N;95.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101904;MM101904;CC1CC(C=O)C1=O;MZRSKIJUKARFJE-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101905;MM101905;C=Cc1cnon1;IZKNTTZWROFCLX-UHFFFAOYSA-N;96.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101906;MM101906;O=Cc1cnon1;FVPKJLUCXSTBSP-UHFFFAOYSA-N;98.06;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101907;MM101907;N#Cc1cnon1;RDAAZDXJZVSUGJ-UHFFFAOYSA-N;95.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101908;MM101908;C=Cc1cocn1;SLUUUCZQJJRUEW-UHFFFAOYSA-N;95.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101909;MM101909;O=Cc1cocn1;JBWIIXBEPINWPB-UHFFFAOYSA-N;97.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101910;MM101910;N#Cc1cocn1;UEEBKQWDBWDPKD-UHFFFAOYSA-N;94.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101911;MM101911;C=Cc1conn1;CVDMBAQGOUXXIU-UHFFFAOYSA-N;96.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101912;MM101912;O=Cc1conn1;VLCLOQJEVIWQBL-UHFFFAOYSA-N;98.06;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101913;MM101913;N#Cc1conn1;WNDZHUKPRBQYSG-UHFFFAOYSA-N;95.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101914;MM101914;C=Cc1ncon1;YGVMUUPKNAOVFX-UHFFFAOYSA-N;96.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101915;MM101915;O=Cc1ncon1;QSEMMDRNQSCVEA-UHFFFAOYSA-N;98.06;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101916;MM101916;N#Cc1ncon1;SMAXOZPUQHHUCJ-UHFFFAOYSA-N;95.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101917;MM101917;CCONC(=O)CC(C)=O;CWPDSUHQQRXJPF-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101918;MM101918;CC1(O)CC(C=O)C1=O;OENHVNHJLBHWPO-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101919;MM101919;Cc1c(O)c(=NO)on1O;YWJONFDPQSCVBV-UHFFFAOYSA-N;146.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101920;MM101920;C=Cc1nnon1;SZHXLIDAJHKIJQ-UHFFFAOYSA-N;97.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101921;MM101921;O=Cc1nnon1;ZASHSWQMUSLIKH-UHFFFAOYSA-N;99.05;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101922;MM101922;N#Cc1nnon1;MPADMQYFGSDSOQ-UHFFFAOYSA-N;96.05;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101923;MM101923;C#CC1=CCC=C1;NXDJIFHPBBFSMV-UHFFFAOYSA-N;90.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101924;MM101924;C#Cc1cc[nH]c1;RLXKOXAWZXUMTP-UHFFFAOYSA-N;91.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101925;MM101925;C#Cc1ccoc1;BTDQYXZCWSUPOK-UHFFFAOYSA-N;92.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101926;MM101926;CCC(=O)NN=CN(C)C;KGGIYPKTBMBXDH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101927;MM101927;C#Cc1cnoc1;ILSFIKZROPXWIC-UHFFFAOYSA-N;93.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101928;MM101928;C#Cc1ccon1;DPBZSBUGNBCPFV-UHFFFAOYSA-N;93.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101929;MM101929;C#Cc1c[nH]nn1;WSDJAFBTBFUBGR-UHFFFAOYSA-N;93.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101930;MM101930;C#Cc1cnon1;VQSXSPIXGNITCC-UHFFFAOYSA-N;94.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101931;MM101931;C#Cc1cocn1;CIYCWTVFVAOOHJ-UHFFFAOYSA-N;93.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101932;MM101932;C#Cc1conn1;VKYPFBLGEDNXEB-UHFFFAOYSA-N;94.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101933;MM101933;C#Cc1ncon1;MKLJCYQXZDBZIU-UHFFFAOYSA-N;94.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101934;MM101934;ON=c1on(O)cc1O;RWEDLXQCBPKBCB-UHFFFAOYSA-N;132.08;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101935;MM101935;C#Cc1nnon1;MUQBXYHBFCLVEC-UHFFFAOYSA-N;95.06;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101936;MM101936;CCC(C)C1CC1;INSSHDIMRIMVLZ-UHFFFAOYSA-N;98.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101937;MM101937;CC(CN)C1CC1;RQUOMUYKVVAWSQ-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101938;MM101938;CN1CC1(C)COC=NO;GHZUBEJZIHKBMT-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101939;MM101939;CC(CF)C1CC1;ZGWAYUIOVGXVOD-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101940;MM101940;CCC(N)C1CC1;OXXSMQHKMPTBAR-UHFFFAOYSA-N;99.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101941;MM101941;NCC(N)C1CC1;HFFYPAUHJWQGKG-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101942;MM101942;NC(CO)C1CC1;LLCCGHDKJXAQLS-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101943;MM101943;NC(CF)C1CC1;CPRBRADJJVPOIK-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101944;MM101944;CC(F)C(=NNC=O)NN;UIGDTDHYNIDCAK-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101945;MM101945;NCC(O)C1CC1;JCAJMHONCHYTCA-UHFFFAOYSA-N;101.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101946;MM101946;OCC(O)C1CC1;BGVZHHMFIIQQEX-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101947;MM101947;OC(CF)C1CC1;BHUFRBAGICQNJV-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101948;MM101948;CCC(F)C1CC1;FYZHYHPVXSWAEL-UHFFFAOYSA-N;102.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101949;MM101949;NCC(F)C1CC1;MHWZPBFQOUQYNL-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101950;MM101950;OCC(F)C1CC1;GQCJOXTXMSCISX-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101951;MM101951;CNC(C)C1CC1;CBWBPZZRBSZHEE-UHFFFAOYSA-N;99.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101952;MM101952;COC(C)C1CC1;WAUSACZHKBGTGF-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101953;MM101953;CCN(C)C1CC1;VQJOPRHZJAIGEW-UHFFFAOYSA-N;99.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101954;MM101954;CC(CN)C1CN1;RURKAZDDAVLYRU-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101955;MM101955;CCC(N)C1CN1;ROHNSAPTTXUJGO-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101956;MM101956;NCC(N)C1CN1;VSGAESACENVAAB-UHFFFAOYSA-N;101.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101957;MM101957;NC(CO)C1CN1;QSFXIPRPWKVBFP-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101958;MM101958;NCC(O)C1CN1;NDOLQIJOPOGYPC-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101959;MM101959;CCC(F)C1CN1;IMOWZSUIGBDJPY-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101960;MM101960;NCC(F)C1CN1;RBFSYCVGLJSSMB-UHFFFAOYSA-N;104.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101961;MM101961;C#CC(CCN1CC1)=NO;JVFVYOWFABJOGW-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101962;MM101962;CNC(C)C1CN1;DJQAFPHALXBMBJ-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101963;MM101963;CCC(C)C1CO1;OVFUAYYHQWUHCD-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101964;MM101964;CC(CN)C1CO1;QJQGDUPVTDXXOT-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101965;MM101965;CC(CO)C1CO1;RKNPMARCQMCRHH-UHFFFAOYSA-N;102.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101966;MM101966;CC(CF)C1CO1;GKCTYXYILXMOOI-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101967;MM101967;CCC(N)C1CO1;BQGZGKPHYSTVCP-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101968;MM101968;NCC(N)C1CO1;SGHWDEBHNCGZRV-UHFFFAOYSA-N;102.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101969;MM101969;NC(CO)C1CO1;ANDFFJCERMPNRW-UHFFFAOYSA-N;103.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101970;MM101970;NC(CF)C1CO1;MHDLGWWHZMFPCE-UHFFFAOYSA-N;105.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101971;MM101971;CCC(O)C1CO1;HJCWXVWXDOBZTQ-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101972;MM101972;NCC(O)C1CO1;ZKSKNFYKGUNUQM-UHFFFAOYSA-N;103.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101973;MM101973;OCC(O)C1CO1;KRBIHOANUQUSRV-UHFFFAOYSA-N;104.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101974;MM101974;OC(CF)C1CO1;VOQKDLAVUVGRGC-UHFFFAOYSA-N;106.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101975;MM101975;CCC(F)C1CO1;NCRVWFIHWQVLFT-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101976;MM101976;NCC(F)C1CO1;MAPNFLUNSSDBKU-UHFFFAOYSA-N;105.11;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101977;MM101977;OCC(F)C1CO1;GQDBPQJYNSIMIA-UHFFFAOYSA-N;106.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101978;MM101978;FCC(F)C1CO1;JKHABYAGWKHPPK-UHFFFAOYSA-N;108.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101979;MM101979;CNC(C)C1CO1;SYCATARAXXDFGG-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101980;MM101980;COC(C)C1CO1;IKUAUHZFSKCAIQ-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101981;MM101981;CC(CN)N1CC1;XZXXALPKCHLQPT-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101982;MM101982;CC(CF)N1CC1;UOZCDFIDCVVLHQ-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101983;MM101983;C=CC(C)C1CC1;XZLWQFYUCAOCMM-UHFFFAOYSA-N;96.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101984;MM101984;CC(C=O)C1CC1;XEKNSYGJEBXYGH-UHFFFAOYSA-N;98.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101985;MM101985;CC(C#N)C1CC1;XIXPBVLOLRFPNE-UHFFFAOYSA-N;95.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101986;MM101986;C=CC(N)C1CC1;FJJOLIFQYQAYFR-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101987;MM101987;Cc1ncc(O)n1C;ZHKJBCAQUSGUND-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101988;MM101988;O=CC(O)C1CC1;VARQDUYQURJYFD-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101989;MM101989;N#CC(O)C1CC1;ILJKKAIQFPEIBL-UHFFFAOYSA-N;97.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101990;MM101990;C=CC(F)C1CC1;FGSZLARJWRGKJO-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101991;MM101991;O=CC(F)C1CC1;ZXEVVAGCVWMHJT-UHFFFAOYSA-N;102.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101992;MM101992;N#CC(F)C1CC1;HSBSJTPLIIMUGB-UHFFFAOYSA-N;99.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101993;MM101993;CN(C=N)C1CC1;CFKGOCLXNLYOBP-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101994;MM101994;CN(C=O)C1CC1;FFFAPZFZGCQOAY-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101995;MM101995;N=CN(N)C1CC1;SNVAGVWSOGPYPV-UHFFFAOYSA-N;99.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101996;MM101996;NN(C=O)C1CC1;UYSUMVXULFCZGW-UHFFFAOYSA-N;100.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101997;MM101997;C=NN(C)C1CC1;SKOMPXHYSLGMKU-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101998;MM101998;CC(C#N)C1CN1;MUHCCXOCDXNSAW-UHFFFAOYSA-N;96.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM101999;MM101999;C=CC(N)C1CN1;BCKXPNCTYRZQJY-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102000;MM102000;CC(C#CC1CN1)=NO;APVQPPCDELWYNK-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102001;MM102001;C=CC(F)C1CN1;MIRFIANRDGLVPX-UHFFFAOYSA-N;101.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102002;MM102002;C=CC#CC(N)=CC=NO;JYXOBRXMECUPCI-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102003;MM102003;N#CC(F)C1CN1;DGEYPJPGBSXYCX-UHFFFAOYSA-N;100.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102004;MM102004;C=CC(C)C1CO1;UHYHMDDNVCJWRY-UHFFFAOYSA-N;98.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102005;MM102005;CC(C=O)C1CO1;HWFCPBJKRQORRQ-UHFFFAOYSA-N;100.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102006;MM102006;CC(C#N)C1CO1;VOVLNXQYAFJJGC-UHFFFAOYSA-N;97.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102007;MM102007;C=CC(N)C1CO1;JXYQQXWYIOZJPF-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102008;MM102008;C=CC(O)C1CO1;YYUNQECXARGEAQ-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102009;MM102009;O=CC(O)C1CO1;FJYYZOIJDCSSOK-UHFFFAOYSA-N;102.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102010;MM102010;N#CC(O)C1CO1;ZJNQOCXFVNKSSF-UHFFFAOYSA-N;99.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102011;MM102011;C=CC(F)C1CO1;AOPNTGKYDRLBGQ-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102012;MM102012;O=CC(F)C1CO1;VJJQMJAVHXIOAI-UHFFFAOYSA-N;104.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102013;MM102013;N#CC(F)C1CO1;OYHFONQOEUNMOD-UHFFFAOYSA-N;101.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102014;MM102014;C=CC(C=NO)=C(N)OC;AUTAGQJENJMROY-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102015;MM102015;CC(C#N)N1CC1;GXFFDAMERVJBQV-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102016;MM102016;CN(C=N)N1CC1;UUTOEIHLRXQOBY-UHFFFAOYSA-N;99.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102017;MM102017;CN(C=O)N1CC1;GQIRRIOHQFIHPJ-UHFFFAOYSA-N;100.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102018;MM102018;C#CC(C)C1CC1;DQEYTJPOPPUMPT-UHFFFAOYSA-N;94.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102019;MM102019;C#CC(N)C1CC1;SOULVLMHDMKNRM-UHFFFAOYSA-N;95.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102020;MM102020;C#CC(O)C1CC1;NFQRIJRWUCDRPN-UHFFFAOYSA-N;96.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102021;MM102021;C#CC(F)C1CC1;DTEUPHNXEHLNRR-UHFFFAOYSA-N;98.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102022;MM102022;C#CC(N)C1CN1;BYJQKYCMNBZODN-UHFFFAOYSA-N;96.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102023;MM102023;C#CC(F)C1CN1;NHNVGKWVXFVYBM-UHFFFAOYSA-N;99.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102024;MM102024;C#CC(C)C1CO1;YKAGWUKEWXJKPH-UHFFFAOYSA-N;96.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102025;MM102025;C#CC(N)C1CO1;VQSIFYNALQJOSF-UHFFFAOYSA-N;97.12;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102026;MM102026;C#CC(O)C1CO1;KMAULTHPWBXMNW-UHFFFAOYSA-N;98.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102027;MM102027;C#CC(F)C1CO1;PWPSZFBENNEUSF-UHFFFAOYSA-N;100.09;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102028;MM102028;C#CC(C)N1CC1;KSTODPMFACRCTQ-UHFFFAOYSA-N;95.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102029;MM102029;C=C(CC)C1CC1;FSEYRSPILWGXBV-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102030;MM102030;C=C(CN)C1CC1;UGHJNJHQWYAJEW-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102031;MM102031;N=CN(C=N)C(C=O)C=O;NMEFBNCCVVLDAH-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102032;MM102032;C=C(CF)C1CC1;VZWQCSFILLZNBD-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102033;MM102033;CCC(=O)C1CC1;JXAVVBPORYWDME-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102034;MM102034;O=C(CO)C1CC1;BGNOMPKCDKPRRS-UHFFFAOYSA-N;100.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102035;MM102035;O=C(CF)C1CC1;UIPSXWSVIPTZCV-UHFFFAOYSA-N;102.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102036;MM102036;CNC(=N)C1CC1;JARAYGVUGPODBW-UHFFFAOYSA-N;98.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102037;MM102037;N=C(NN)C1CC1;NRNOONVPBHULFC-UHFFFAOYSA-N;99.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102038;MM102038;N=C(NO)C1CC1;OMCUPXRCMTUDHI-UHFFFAOYSA-N;100.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102039;MM102039;CNC(=O)C1CC1;BVNIREPGHLFKNZ-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102040;MM102040;C#Cc1cnc(CC)n1O;IQLYLNGIJKWMMH-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102041;MM102041;O=C(NO)C1CC1;VIHDBAIWGYSTFR-UHFFFAOYSA-N;101.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102042;MM102042;C=C(OC)C1CC1;HKDZODYCPJKOMM-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102043;MM102043;COC(=O)C1CC1;PKAHQJNJPDVTDP-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102044;MM102044;C=C(CN)C1CN1;PAALDAAWTFAGSF-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102045;MM102045;ON=C(C#CC1CN1)NO;VRKJXRBBUCWLLL-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102046;MM102046;C=NOC(=NO)NNC;VOGKGDURIQNSEO-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102047;MM102047;CC1NC(NO)=NC1=O;PDFCLCDMDOOKBI-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102048;MM102048;CNC(=N)C1CN1;SPCOKIBQQAFFOS-UHFFFAOYSA-N;99.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102049;MM102049;N=C(NN)C1CN1;MIONQZYMLDLONM-UHFFFAOYSA-N;100.13;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102050;MM102050;CC(C)(F)C(C=NO)=CN;GHKJNTHJTYFPSR-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102051;MM102051;C#Cc1cnc(NC)n1O;ASDUFHXRGFLBIW-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102052;MM102052;O=C(NO)C1CN1;AENKKNPBDLKKAP-UHFFFAOYSA-N;102.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102053;MM102053;C=C(OC)C1CN1;XBPJMDBREHMRTK-UHFFFAOYSA-N;99.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102054;MM102054;COC(=O)C1CN1;ZWCVDRJTYFIPIV-UHFFFAOYSA-N;101.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102055;MM102055;C=C(CC)C1CO1;BOASQLDEAIYUME-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102056;MM102056;C=C(CN)C1CO1;WULYEHPJHKUXCH-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102057;MM102057;C=C(CO)C1CO1;ZJCZSENGQKBAGW-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102058;MM102058;C=C(CF)C1CO1;IOQVWFWVYQCVTC-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102059;MM102059;CCC(=O)C1CO1;QNZNFICLEWQYNZ-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102060;MM102060;O=C(CO)C1CO1;CWVHPKLMASYFJO-UHFFFAOYSA-N;102.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102061;MM102061;O=C(CF)C1CO1;ZJZKIUSDPQHLRA-UHFFFAOYSA-N;104.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102062;MM102062;CNC(=N)C1CO1;AMCWZFSRLUDSIF-UHFFFAOYSA-N;100.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102063;MM102063;N=C(NN)C1CO1;POTYYJUYVVIPAQ-UHFFFAOYSA-N;101.11;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102064;MM102064;CNC(=O)C1CO1;BWEDYZSTQRGJAP-UHFFFAOYSA-N;101.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102065;MM102065;CN1C=NCC1=O;AJNCIPRHRZVWSY-UHFFFAOYSA-N;98.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102066;MM102066;O=C(NO)C1CO1;MNEOADIEEKVPGY-UHFFFAOYSA-N;103.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102067;MM102067;C=C(OC)C1CO1;ZGNQKVGDCFMRIY-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102068;MM102068;COC(=O)C1CO1;YKNYRRVISWJDSR-UHFFFAOYSA-N;102.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102069;MM102069;CCC(=N)N1CC1;AERCWWKLNUNJGB-UHFFFAOYSA-N;98.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102070;MM102070;N=C(CN)N1CC1;AHJGOCDJRIARFZ-UHFFFAOYSA-N;99.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102071;MM102071;N=C(CO)N1CC1;UFLGWINRHWHUKE-UHFFFAOYSA-N;100.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102072;MM102072;CCC(=O)N1CC1;HHDIWCIHRBUAPZ-UHFFFAOYSA-N;99.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102073;MM102073;O=C(CO)N1CC1;SWYQFEUNUWNNGR-UHFFFAOYSA-N;101.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102074;MM102074;O=C(CF)N1CC1;CSAFHHCISYIFMM-UHFFFAOYSA-N;103.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102075;MM102075;CNC(=N)N1CC1;NDJUXEXZNXCPMD-UHFFFAOYSA-N;99.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102076;MM102076;N=C(NN)N1CC1;NPBYNWYFYXAKMF-UHFFFAOYSA-N;100.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102077;MM102077;N=C(NO)N1CC1;XNWKEDSEOMOXRU-UHFFFAOYSA-N;101.11;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102078;MM102078;CNC(=O)N1CC1;AWDNCVJVQYZMTL-UHFFFAOYSA-N;100.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102079;MM102079;NN=c1cc[nH]o1;NEIYSGKZNZNMFX-UHFFFAOYSA-N;99.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102080;MM102080;O=C(NO)N1CC1;YMWAJOQVPFNTRC-UHFFFAOYSA-N;102.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102081;MM102081;COC(=O)N1CC1;UYCMTEJRGMIQLS-UHFFFAOYSA-N;101.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102082;MM102082;C=CC(=C)C1CC1;NRPVUCKZMDOCOS-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102083;MM102083;C=C(C=O)C1CC1;IBVNUFODFNGDFK-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102084;MM102084;C=C(C#N)C1CC1;ZJXIRDNUWLAVEN-UHFFFAOYSA-N;93.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102085;MM102085;C=CC(=O)C1CC1;TWFKEGONKTUVSX-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102086;MM102086;O=CC(=O)C1CC1;PHGZFKPNFFEOIR-UHFFFAOYSA-N;98.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102087;MM102087;N#CC(=O)C1CC1;OXFVCMMQMWINHL-UHFFFAOYSA-N;95.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102088;MM102088;C=C(C=O)C1CN1;LLQUGTPPTYIWMT-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102089;MM102089;C=C(C#N)C1CN1;OQUDGULVUJBKHW-UHFFFAOYSA-N;94.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102090;MM102090;Nc1nc(N)n(O)c1F;SGIXCBZLXIIGLN-UHFFFAOYSA-N;132.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102091;MM102091;ON=CC#CCN1CC1;UJKIQULNTOVCTB-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102092;MM102092;N#CCC1=CC(=N)C(=O)N1;JVQCPWAPSPFAMT-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102093;MM102093;C=CC(=C)C1CO1;CXSQINJBPYUXHN-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102094;MM102094;C=C(C=O)C1CO1;XVSFACNNPPZULC-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102095;MM102095;C=C(C#N)C1CO1;VCBWFPBDJUPAOU-UHFFFAOYSA-N;95.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102096;MM102096;C=CC(=O)C1CO1;IETGWMRURXXRHH-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102097;MM102097;O=CC(=O)C1CO1;MLGBZDDVWCNOKO-UHFFFAOYSA-N;100.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102098;MM102098;N#CC(=O)C1CO1;VMTHIGGQVFMBLL-UHFFFAOYSA-N;97.07;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102099;MM102099;C=CC(=N)N1CC1;GAEZVMKKBUKBTH-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102100;MM102100;N=C(C=O)N1CC1;FBFIPXYFPLTIAV-UHFFFAOYSA-N;98.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102101;MM102101;N#CC(=N)N1CC1;FGLIJAIAQVNUOK-UHFFFAOYSA-N;95.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102102;MM102102;C=CC(=O)N1CC1;SCMVPOVMOHQFKU-UHFFFAOYSA-N;97.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102103;MM102103;O=CC(=O)N1CC1;YIRQBBVSDNAYSR-UHFFFAOYSA-N;99.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102104;MM102104;N#CC(=O)N1CC1;XNLWFRMXOUSIJB-UHFFFAOYSA-N;96.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102105;MM102105;C#CC(=C)C1CC1;LBAJGZYYHHZIGX-UHFFFAOYSA-N;92.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102106;MM102106;C#CC(=O)C1CC1;RFHBCIDPRWPKLF-UHFFFAOYSA-N;94.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102107;MM102107;CCc1c[nH]c(NC)c1O;AMDYSHGPCZOPCO-UHFFFAOYSA-N;140.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102108;MM102108;C#CC(=C)C1CO1;RZHJQKHNOKYGGG-UHFFFAOYSA-N;94.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102109;MM102109;C#CC(=O)C1CO1;NZOISWORHMAPQS-UHFFFAOYSA-N;96.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102110;MM102110;C#CC(=N)N1CC1;IEYDYCYMHXQCQV-UHFFFAOYSA-N;94.12;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102111;MM102111;C#CC(=O)N1CC1;HHYVTYJSFXSFOV-UHFFFAOYSA-N;95.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102112;MM102112;CC=C(C)C1CC1;RCURIBPJGNVYPF-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102113;MM102113;CC(=CF)C1CC1;DBHKDUYVKIMWBT-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102114;MM102114;CC=C(F)C1CC1;BMPVJLBKHCWZSA-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102115;MM102115;FC=C(F)C1CC1;UKDFYILDSOJYDV-UHFFFAOYSA-N;104.1;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102116;MM102116;CC(=NN)C1CC1;MBOKIINMFMYCTN-UHFFFAOYSA-N;98.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102117;MM102117;CC(=NO)C1CC1;HTMLLPBZMWBCDN-UHFFFAOYSA-N;99.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102118;MM102118;CC=C(F)C1CN1;DEHWNEAULWRJPT-UHFFFAOYSA-N;101.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102119;MM102119;FC=C(F)C1CN1;RFUJRZBBJPVXDN-UHFFFAOYSA-N;105.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102120;MM102120;CC(=NN)C1CN1;HPZXSMBKTMFGOA-UHFFFAOYSA-N;99.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102121;MM102121;CCC(=NO)N(O)C=N;WOSBTKRVSYXTDU-UHFFFAOYSA-N;131.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102122;MM102122;CC=C(C)C1CO1;UQFYEWPAHZCJCW-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102123;MM102123;CC(=CF)C1CO1;YLGAKOGDMUVPOJ-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102124;MM102124;CC=C(F)C1CO1;RBJHIUGZCKYKTJ-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102125;MM102125;FC=C(F)C1CO1;ABOGNKNBWXQRRS-UHFFFAOYSA-N;106.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102126;MM102126;CC(=NN)C1CO1;HUYKADWUDRDZPE-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102127;MM102127;CN=C(C)N1CC1;SEPAGGBKLQKDSO-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102128;MM102128;CC(=NN)N1CC1;KJWAYMSNFNWOFQ-UHFFFAOYSA-N;99.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102129;MM102129;C#CC1NC1CC=NO;VTHAHFVIXLGORE-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102130;MM102130;CCCCC1CC1;SXZVSSJONMPJMN-UHFFFAOYSA-N;98.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102131;MM102131;NCCCC1CC1;FESRYVBBESMTNR-UHFFFAOYSA-N;99.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102132;MM102132;OCCCC1CC1;ISBNDFWSSCIEHO-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102133;MM102133;FCCCC1CC1;VDAQZCLJTGIVJY-UHFFFAOYSA-N;102.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102134;MM102134;CNCCC1CC1;ULELCQYQCBHXFY-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102135;MM102135;COCCC1CC1;CRTMNLMGAHLKCN-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102136;MM102136;CCNCC1CC1;UHFLNWZBNRVHGM-UHFFFAOYSA-N;99.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102137;MM102137;CCOCC1CC1;IKNJKDOJQZFTLW-UHFFFAOYSA-N;100.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102138;MM102138;CCCNC1CC1;DAOWJXCNVJBLNI-UHFFFAOYSA-N;99.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102139;MM102139;NCCNC1CC1;BUMRERJTUCBSQD-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102140;MM102140;OCCNC1CC1;GOYFAIZCVVGXNK-UHFFFAOYSA-N;101.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102141;MM102141;FCCNC1CC1;RWNLPDFXOQQNOW-UHFFFAOYSA-N;103.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102142;MM102142;CCCOC1CC1;XWNYYPGYMXWXPQ-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102143;MM102143;NCCOC1CC1;GDEHRJSATUHUBT-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102144;MM102144;OCCOC1CC1;AYQHCHVTMZTXKS-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102145;MM102145;FCCOC1CC1;KUSXSUIFSXDSIW-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102146;MM102146;COCOC1CC1;KHYIZTKWKWZQLH-UHFFFAOYSA-N;102.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102147;MM102147;NCCCC1CN1;FMSQOXUCHBOAJK-UHFFFAOYSA-N;100.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102148;MM102148;CNCCC1CN1;MCXBBONORSIDBP-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102149;MM102149;CCNCC1CN1;AXUCPKUIPOXIEM-UHFFFAOYSA-N;100.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102150;MM102150;CCCCC1CO1;WHNBDXQTMPYBAT-UHFFFAOYSA-N;100.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102151;MM102151;NCCCC1CO1;ZJMSJWMQDCPCGB-UHFFFAOYSA-N;101.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102152;MM102152;OCCCC1CO1;SOGGLVJYVOCYTB-UHFFFAOYSA-N;102.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102153;MM102153;FCCCC1CO1;OYKYRRBQJOYZBJ-UHFFFAOYSA-N;104.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102154;MM102154;CNCCC1CO1;DCOIBRRZHYTLTB-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102155;MM102155;COCCC1CO1;FJIXGOYPGXGNFG-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102156;MM102156;CCNCC1CO1;PWEZHCBZCWLRLV-UHFFFAOYSA-N;101.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102157;MM102157;CCOCC1CO1;HQCSZRIVJVOYSU-UHFFFAOYSA-N;102.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102158;MM102158;NCCCN1CC1;BIUAFMCFYSTCLR-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102159;MM102159;CNCCN1CC1;NBCUUUHWGYGHNW-UHFFFAOYSA-N;100.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102160;MM102160;COCCN1CC1;QESKGSBCEIGZHD-UHFFFAOYSA-N;101.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102161;MM102161;C=CCCC1CC1;UBHRQZLRQKVRRD-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102162;MM102162;O=CCCC1CC1;ZPVHPQORXWAGSU-UHFFFAOYSA-N;98.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102163;MM102163;N#CCCC1CC1;INDZKZONOLGFIL-UHFFFAOYSA-N;95.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102164;MM102164;N=CNCC1CC1;SWRFNUQARPBSSM-UHFFFAOYSA-N;98.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102165;MM102165;CN(C)CC(O)(C#N)C=O;NEGGZKKOWVKCEG-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102166;MM102166;C=NNCC1CC1;SDBZCHDQFYJUKG-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102167;MM102167;C=COCC1CC1;UBHRUCXSBYBLOK-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102168;MM102168;O=COCC1CC1;ZKLHGQTYQKLXJV-UHFFFAOYSA-N;100.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102169;MM102169;C=NOCC1CC1;CGNNAFCPVWMTMI-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102170;MM102170;C=CCNC1CC1;DSZJHTGYRGFVKI-UHFFFAOYSA-N;97.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102171;MM102171;N#CCNC1CC1;FSDQBPDUZVGCQQ-UHFFFAOYSA-N;96.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102172;MM102172;N=CNNC1CC1;NVKSZELIHUMSHS-UHFFFAOYSA-N;99.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102173;MM102173;NC(CC(=O)CCF)=NO;LGODEEJVHWJKNH-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102174;MM102174;C=CCOC1CC1;FDCXEPGPMSZFQO-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102175;MM102175;O=CCOC1CC1;IUVWRYQBSDGCMS-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102176;MM102176;N#CCOC1CC1;YISNZIRGYLHYRC-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102177;MM102177;N=CNOC1CC1;QBGVBQDRGFXUBU-UHFFFAOYSA-N;100.12;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102178;MM102178;O=CNOC1CC1;SPRXLKYJXOEOCV-UHFFFAOYSA-N;101.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102179;MM102179;N=CNCC1CN1;DEZBTQMNJXFUMV-UHFFFAOYSA-N;99.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102180;MM102180;C=NOCC1CN1;FYAHXTKTTHCOAQ-UHFFFAOYSA-N;100.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102181;MM102181;C=CCCC1CO1;MUUOUUYKIVSIAR-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102182;MM102182;O=CCCC1CO1;UPPXZTCGNUAGJS-UHFFFAOYSA-N;100.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102183;MM102183;N#CCCC1CO1;DRZQOARGLZRJBN-UHFFFAOYSA-N;97.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102184;MM102184;N=CNCC1CO1;BWYPPPBVDNHOPJ-UHFFFAOYSA-N;100.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102185;MM102185;O=CNCC1CO1;ZDBAVXLUBAZZRQ-UHFFFAOYSA-N;101.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102186;MM102186;C=NNCC1CO1;OKGJSEHYQLZZMP-UHFFFAOYSA-N;100.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102187;MM102187;C=COCC1CO1;JJRUAPNVLBABCN-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102188;MM102188;O=COCC1CO1;CIXFJOIWHPRYJT-UHFFFAOYSA-N;102.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102189;MM102189;C=NOCC1CO1;VWESIFLVHLOMCS-UHFFFAOYSA-N;101.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102190;MM102190;N=c1c(=O)[nH]c(N)cn1N;FFGDPFUUVBWSSX-UHFFFAOYSA-N;141.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102191;MM102191;C#CCCC1CC1;HDBTYEOXYHHGQL-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102192;MM102192;C#CCNC1CC1;QNJFRCLMHDVMQQ-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102193;MM102193;C#CCOC1CC1;MJOFGCGEUDVGNM-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102194;MM102194;C#CCCC1CO1;DLZKNEXLEIFZJI-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102195;MM102195;CC=CCC1CC1;HFWBELFXCMGIGS-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102196;MM102196;FC=CCC1CC1;XKNRYIVKBSCXGX-UHFFFAOYSA-N;100.14;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102197;MM102197;NN=CCC1CC1;MKWKYPAJJKYYHU-UHFFFAOYSA-N;98.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102198;MM102198;ON=CCC1CC1;PESUBVWGFLAYSU-UHFFFAOYSA-N;99.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102199;MM102199;CN=CNC1CC1;SDMBAXQJEVAGPL-UHFFFAOYSA-N;98.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102200;MM102200;NN=CNC1CC1;NNMCKGUTDFSKRW-UHFFFAOYSA-N;99.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102201;MM102201;N=CN(N)C(C=NN)=NO;TZLVWAXFFRYJCD-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102202;MM102202;CC=NNC1CC1;XUGSUKSRGAJNMP-UHFFFAOYSA-N;98.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102203;MM102203;CC=COC1CC1;DXOLTPXOYJYGJC-UHFFFAOYSA-N;98.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102204;MM102204;FC=COC1CC1;AKGBROSZGWPHAP-UHFFFAOYSA-N;102.11;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102205;MM102205;CN=Cn1c(=N)[nH]oc1=N;BDZJRRZZNHSLAQ-UHFFFAOYSA-N;141.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102206;MM102206;ON=COC1CC1;INMXOMUCWDDXID-UHFFFAOYSA-N;101.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102207;MM102207;CC=NOC1CC1;WMXDFOYZPLCFIR-UHFFFAOYSA-N;99.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102208;MM102208;CC=CCC1CO1;ZXMSEKZWSHOVQW-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102209;MM102209;FC=CCC1CO1;KHOCWGICHBVIMI-UHFFFAOYSA-N;102.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102210;MM102210;NN=CCC1CO1;JWQFCAKKIYCDLB-UHFFFAOYSA-N;100.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102211;MM102211;ON=CCC1CO1;RBLVWDCDAMJBML-UHFFFAOYSA-N;101.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102212;MM102212;CC=CCN1CC1;BYGZASVDFRUAGE-UHFFFAOYSA-N;97.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102213;MM102213;FC=CCN1CC1;XYGCHQBALIJMBQ-UHFFFAOYSA-N;101.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102214;MM102214;NN=CCN1CC1;QDLRSAVEGMSLFN-UHFFFAOYSA-N;99.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102215;MM102215;ON=CCN1CC1;UWVSSPVKSWCRAH-UHFFFAOYSA-N;100.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102216;MM102216;CN=CNN1CC1;QIJUKDCPMDZUBR-UHFFFAOYSA-N;99.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102217;MM102217;CN1CC(=O)N(N)C1=N;WQENATPTEFSKHT-UHFFFAOYSA-N;128.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102218;MM102218;CC#CCC1CC1;ZKPMFBJKKZNHSP-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102219;MM102219;CC#CCC1CO1;WQJHSKGGJAGRKH-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102220;MM102220;CC#CCN1CC1;AAWGSNCSFXZDII-UHFFFAOYSA-N;95.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102221;MM102221;CCC=CC1CC1;BNFXSCXEKBQBRB-UHFFFAOYSA-N;96.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102222;MM102222;NCC=CC1CC1;FGNSIKJDDXLWCL-UHFFFAOYSA-N;97.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102223;MM102223;OCC=CC1CC1;UKPAEMCHJQUQCQ-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102224;MM102224;FCC=CC1CC1;DWXOPPKQAGWMJW-UHFFFAOYSA-N;100.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102225;MM102225;COC=CC1CC1;PJPMEFIJBKCSBT-UHFFFAOYSA-N;98.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102226;MM102226;CNN=CC1CC1;NDVLDMQUMDDLTI-UHFFFAOYSA-N;98.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102227;MM102227;CON=CC1CC1;SSVBPLJUTRXLCJ-UHFFFAOYSA-N;99.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102228;MM102228;NCC=CC1CN1;NMGFGOUSQXSFJD-UHFFFAOYSA-N;98.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102229;MM102229;CNN=CC1CN1;GKSXNSCDEPMNHM-UHFFFAOYSA-N;99.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102230;MM102230;CON=CC1CN1;MALGPUITNSBYPO-UHFFFAOYSA-N;100.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102231;MM102231;CCC=CC1CO1;IZTBBIXVWBWSMW-UHFFFAOYSA-N;98.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102232;MM102232;NCC=CC1CO1;ZUZCMHDNFVDZJE-UHFFFAOYSA-N;99.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102233;MM102233;OCC=CC1CO1;JTPBYENTZPEFPO-UHFFFAOYSA-N;100.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102234;MM102234;FCC=CC1CO1;QFZJAHQAHUMZTL-UHFFFAOYSA-N;102.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102235;MM102235;COC=CC1CO1;DJLRYERQHZINMO-UHFFFAOYSA-N;100.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102236;MM102236;CNN=CC1CO1;NZJWGHXNDPYRKB-UHFFFAOYSA-N;100.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102237;MM102237;CON=CC1CO1;VNRCONLJVYWWDN-UHFFFAOYSA-N;101.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102238;MM102238;CCN=CN1CC1;DJMBAMBEINSJQC-UHFFFAOYSA-N;98.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102239;MM102239;CON=CN1CC1;FJEXQHIFVPSVIL-UHFFFAOYSA-N;100.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102240;MM102240;CCC=NN1CC1;DYTQCQLPPWEUPL-UHFFFAOYSA-N;98.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102241;MM102241;Nc1nc(O)c(N)n1N;USLFDFXVPCCXSW-UHFFFAOYSA-N;129.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102242;MM102242;CNNC(=NO)OC(N)=O;HERPACUSKPNNRP-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102243;MM102243;COC=NN1CC1;OQUIABPAWRYKOV-UHFFFAOYSA-N;100.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102244;MM102244;C=CC=CC1CC1;XOSQFCUFISUYLS-UHFFFAOYSA-N;94.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102245;MM102245;O=CC=CC1CC1;KZZDSVLUZALMOT-UHFFFAOYSA-N;96.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102246;MM102246;N#CC=CC1CC1;AHJKTMQDOYBLSR-UHFFFAOYSA-N;93.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102247;MM102247;C=NN=CC1CC1;CKPURXHNRGVUQJ-UHFFFAOYSA-N;96.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102248;MM102248;N#CC=CC1CN1;ZLALSBZMOAIZBT-UHFFFAOYSA-N;94.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102249;MM102249;C=NN=CC1CN1;ZXGZQWBFMCGLPK-UHFFFAOYSA-N;97.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102250;MM102250;C=CC=CC1CO1;RTRNDKFYOYTEAT-UHFFFAOYSA-N;96.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102251;MM102251;O=CC=CC1CO1;MCZFDRQUPJCHON-UHFFFAOYSA-N;98.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102252;MM102252;N#CC=CC1CO1;HYQYBISESFDJCQ-UHFFFAOYSA-N;95.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102253;MM102253;C=NN=CC1CO1;JGLYMNOOIVQOLG-UHFFFAOYSA-N;98.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102254;MM102254;O=CC=CN1CC1;YEBDPUBOCNOKJZ-UHFFFAOYSA-N;97.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102255;MM102255;N#CC=CN1CC1;RJCJARUNJZKFNX-UHFFFAOYSA-N;94.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102256;MM102256;O=CN=CN1CC1;JWDVTFAGIUWNQO-UHFFFAOYSA-N;98.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102257;MM102257;C=NN=CN1CC1;PNFAUYSKKAOZFZ-UHFFFAOYSA-N;97.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102258;MM102258;C=CC=NN1CC1;DETLNCGZVHRUAA-UHFFFAOYSA-N;96.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102259;MM102259;O=CC=NN1CC1;ABMVFDJQGVLFFG-UHFFFAOYSA-N;98.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102260;MM102260;N#CC=NN1CC1;QTEUILJRZPSNGI-UHFFFAOYSA-N;95.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102261;MM102261;C#CC=CC1CO1;VFRPZRJSLDVCFC-UHFFFAOYSA-N;94.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102262;MM102262;C#CC=NN1CC1;RHZVHRZUIZWLGO-UHFFFAOYSA-N;94.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102263;MM102263;CCC#CC1CC1;VIKQDCOIMZHWFA-UHFFFAOYSA-N;94.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102264;MM102264;NCC#CC1CC1;BSIJLGIHXMPQSU-UHFFFAOYSA-N;95.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102265;MM102265;OCC#CC1CC1;YPBRKXFDMDCCEA-UHFFFAOYSA-N;96.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102266;MM102266;FCC#CC1CC1;NDKJXIZYZOFDPF-UHFFFAOYSA-N;98.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102267;MM102267;CCC#CC1CN1;VLCIFCRECAIBCF-UHFFFAOYSA-N;95.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102268;MM102268;NCC#CC1CN1;IPRLSWGPKWFTML-UHFFFAOYSA-N;96.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102269;MM102269;CC1(C=O)NC1CC=NO;CVBFUZNVYUYAHM-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102270;MM102270;FCC#CC1CN1;PZSRWZLKWBBGIO-UHFFFAOYSA-N;99.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102271;MM102271;CCC#CC1CO1;KFFCGRVNOBQHOM-UHFFFAOYSA-N;96.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102272;MM102272;NCC#CC1CO1;FAYQJHVXICWGKO-UHFFFAOYSA-N;97.12;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102273;MM102273;OCC#CC1CO1;GUTZLUYHKAAICX-UHFFFAOYSA-N;98.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102274;MM102274;FCC#CC1CO1;VAKANFPWDNCFNK-UHFFFAOYSA-N;100.09;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102275;MM102275;O=CC#CC1CC1;GNRZPYASNQVWEM-UHFFFAOYSA-N;94.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102276;MM102276;O=CC#CC1CN1;FEMPLRYCYPVAAF-UHFFFAOYSA-N;95.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102277;MM102277;C=CC#CC1CO1;MVOYJKHIHKVUIQ-UHFFFAOYSA-N;94.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102278;MM102278;O=CC#CC1CO1;XFYSWGIGJDOYCT-UHFFFAOYSA-N;96.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102279;MM102279;CCC1C(C)C1C;VRJOYUQFEXXSBK-UHFFFAOYSA-N;98.19;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102280;MM102280;CC1C(C)C1CN;VJLUWNNKUKTHOF-UHFFFAOYSA-N;99.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102281;MM102281;O=C1CN=CN1;CAAMSDWKXXPUJR-UHFFFAOYSA-N;84.08;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102282;MM102282;CC1C(C)C1CF;FYLYKOZUBAZWIW-UHFFFAOYSA-N;102.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102283;MM102283;CCC1C(C)C1N;MOYZCXRRNJFTMS-UHFFFAOYSA-N;99.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102284;MM102284;CC1C(N)C1CN;ZWXZZJIGOOWQNV-UHFFFAOYSA-N;100.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102285;MM102285;CC1C(N)C1CO;AXHXZUPZAKMKRX-UHFFFAOYSA-N;101.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102286;MM102286;CC1C(N)C1CF;YPVQBJCDESDFIK-UHFFFAOYSA-N;103.14;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102287;MM102287;CNc1[nH]cc(C)c1O;RUSOROWUEHEGHV-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102288;MM102288;CC1C(O)C1CN;KLLRBHASHBIWBS-UHFFFAOYSA-N;101.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102289;MM102289;CC1C(O)C1CO;FNTJGCIRIYXBGV-UHFFFAOYSA-N;102.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102290;MM102290;CCC1C(C)C1F;FLZWBIODAHANBC-UHFFFAOYSA-N;102.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102291;MM102291;CC1C(F)C1CN;RDUAXPOSPGOQPF-UHFFFAOYSA-N;103.14;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102292;MM102292;CC1C(F)C1CO;IJYVLXUVQXDOJW-UHFFFAOYSA-N;104.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102293;MM102293;CC1C(F)C1CF;MVEBWNPZZBGDIM-UHFFFAOYSA-N;106.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102294;MM102294;CCC1C(N)C1N;PAAYJZPSDFBATA-UHFFFAOYSA-N;100.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102295;MM102295;NCC1C(N)C1N;QIHSYEIWFQLRLF-UHFFFAOYSA-N;101.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102296;MM102296;NC1C(N)C1CO;MSUPVHLPTOOZON-UHFFFAOYSA-N;102.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102297;MM102297;NC1C(N)C1CF;LXZJEZQYLCJPHI-UHFFFAOYSA-N;104.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102298;MM102298;CCC1C(N)C1O;VKYMJUXUCZGQKB-UHFFFAOYSA-N;101.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102299;MM102299;NCC1C(N)C1O;ZHVUCXITKVBLMP-UHFFFAOYSA-N;102.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102300;MM102300;NC1C(O)C1CO;MNZZXAQWKVGDND-UHFFFAOYSA-N;103.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102301;MM102301;NC1C(O)C1CF;WTOHWTQVAZCFMM-UHFFFAOYSA-N;105.11;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102302;MM102302;CCC1C(N)C1F;UZBSFTIAXQGNDR-UHFFFAOYSA-N;103.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102303;MM102303;NCC1C(N)C1F;PNKYALJJFDQUPG-UHFFFAOYSA-N;104.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102304;MM102304;NC1C(F)C1CF;WHXBFSURWRBXPX-UHFFFAOYSA-N;107.1;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102305;MM102305;CCC1C(O)C1O;DJOFHACTGUHFSA-UHFFFAOYSA-N;102.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102306;MM102306;NCC1C(O)C1O;CHEVDZWDFSUOTF-UHFFFAOYSA-N;103.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102307;MM102307;OCC1C(O)C1O;FJWHMUKWTXEPFI-UHFFFAOYSA-N;104.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102308;MM102308;OC1C(O)C1CF;AEANELQZEHKFTB-UHFFFAOYSA-N;106.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102309;MM102309;CCC1C(O)C1F;UQAKYQRODHANHX-UHFFFAOYSA-N;104.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102310;MM102310;NCC1C(O)C1F;NMNWFGXWKYBPSI-UHFFFAOYSA-N;105.11;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102311;MM102311;OCC1C(O)C1F;FUIDMCCWDFCRNF-UHFFFAOYSA-N;106.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102312;MM102312;OC1C(F)C1CF;YCYSWPPTGOKBNU-UHFFFAOYSA-N;108.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102313;MM102313;CCC1C(F)C1F;KIRPUWXGVYDUNI-UHFFFAOYSA-N;106.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102314;MM102314;NCC1C(F)C1F;KENCKQYKRDMXCG-UHFFFAOYSA-N;107.1;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102315;MM102315;FCC1C(F)C1F;COBCFAHJBQAYPN-UHFFFAOYSA-N;110.08;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102316;MM102316;CNC1C(C)C1C;ULPBRVBQCZPIHW-UHFFFAOYSA-N;99.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102317;MM102317;CNC1C(C)C1N;PEAAOTHXGTXTQJ-UHFFFAOYSA-N;100.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102318;MM102318;CNC1C(C)C1O;GFPHMGVELFNKIR-UHFFFAOYSA-N;101.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102319;MM102319;CNC1C(C)C1F;QDCSCBSMOFIXRV-UHFFFAOYSA-N;103.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102320;MM102320;CNC1C(N)C1N;AIARBERTQQETRO-UHFFFAOYSA-N;101.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102321;MM102321;CNC1C(N)C1O;AWMJQUUBBOLYBD-UHFFFAOYSA-N;102.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102322;MM102322;CNC1C(O)C1O;RTVVLJFVODLNHB-UHFFFAOYSA-N;103.12;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102323;MM102323;COC1C(C)C1C;SRXMDYKINVQGHW-UHFFFAOYSA-N;100.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102324;MM102324;COC1C(C)C1N;CTIXHOXBTRCVNL-UHFFFAOYSA-N;101.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102325;MM102325;COC1C(C)C1O;GSYRADSDSFAABI-UHFFFAOYSA-N;102.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102326;MM102326;COC1C(C)C1F;PNUAJYNUGMFOBY-UHFFFAOYSA-N;104.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102327;MM102327;COC1C(N)C1N;SORLWDJQYPCZRH-UHFFFAOYSA-N;102.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102328;MM102328;COC1C(N)C1O;TYEKJWVYLHPQDV-UHFFFAOYSA-N;103.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102329;MM102329;COC1C(O)C1O;YHPICPMYJLAPSK-UHFFFAOYSA-N;104.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102330;MM102330;COC1C(O)C1F;BCLFWDRJNNDCHM-UHFFFAOYSA-N;106.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102331;MM102331;COC1C(F)C1F;LRDSHBKCLPKGHJ-UHFFFAOYSA-N;108.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102332;MM102332;CC1C(CN)N1C;RACJFPYPRIGOMQ-UHFFFAOYSA-N;100.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102333;MM102333;N#CC=CC(C=NO)=CN;MTLFNZQTZYFHHS-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102334;MM102334;CC1C(CF)N1C;YKJSCAIGKNRMBE-UHFFFAOYSA-N;103.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102335;MM102335;C=CC1C(C)C1C;ASHIKBPREHPEEF-UHFFFAOYSA-N;96.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102336;MM102336;CC1C(C)C1C=O;FPSHSZCTDMOOCM-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102337;MM102337;CC(=O)C(C=O)NCC=O;MCHWUMBVKAKFFU-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102338;MM102338;CC1C(O)C1C=O;WFYMYBOOLTUIDV-UHFFFAOYSA-N;100.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102339;MM102339;CC1C(O)C1C#N;IVUQXZAYPZDITO-UHFFFAOYSA-N;97.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102340;MM102340;C=CC1C(C)C1F;GSPUJRIHBVLFQC-UHFFFAOYSA-N;100.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102341;MM102341;CC1C(F)C1C=O;FFHWYENILYPKTN-UHFFFAOYSA-N;102.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102342;MM102342;CC1C(F)C1C#N;YFIILYUWXNMREA-UHFFFAOYSA-N;99.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102343;MM102343;C=CC1C(N)C1N;QVWDWLCSVIVWRJ-UHFFFAOYSA-N;98.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102344;MM102344;C=CC1C(N)C1O;GXGKWZXQIXZVPZ-UHFFFAOYSA-N;99.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102345;MM102345;C=CC1C(N)C1F;LFTSMRILOYYYHM-UHFFFAOYSA-N;101.12;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102346;MM102346;C=CC1C(O)C1O;QRACUPQHBGRQNT-UHFFFAOYSA-N;100.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102347;MM102347;O=CC1C(O)C1O;XEXBGIJQOODVSD-UHFFFAOYSA-N;102.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102348;MM102348;N#CC1C(O)C1O;XMEHXJHMDOYYDN-UHFFFAOYSA-N;99.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102349;MM102349;C=CC1C(O)C1F;RUVTYHIYTGJOJY-UHFFFAOYSA-N;102.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102350;MM102350;O=CC1C(O)C1F;PHVFEFPXGSQUEE-UHFFFAOYSA-N;104.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102351;MM102351;N#CC1C(O)C1F;REKZCTITJDBZFC-UHFFFAOYSA-N;101.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102352;MM102352;C=CC1C(F)C1F;NSPWVBLYJSAJHP-UHFFFAOYSA-N;104.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102353;MM102353;O=CC1C(F)C1F;DVKRDVHTSBCPND-UHFFFAOYSA-N;106.07;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102354;MM102354;N#CC1C(F)C1F;PIBKKDCZKNSYLX-UHFFFAOYSA-N;103.07;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102355;MM102355;C=CC1C(C)N1C;JREUOYRYQGTZQV-UHFFFAOYSA-N;97.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102356;MM102356;CCC#CCC(=NO)NN;GLSCSBPTRTXAKB-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102357;MM102357;CC1C(C#N)N1C;BWPRCKWHNVBHKQ-UHFFFAOYSA-N;96.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102358;MM102358;CC(=N)N(O)C=NO;FCQRNTKVPQRYJL-UHFFFAOYSA-N;117.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102359;MM102359;C#CC1C(C)C1F;IKCXPVJQXHAFFP-UHFFFAOYSA-N;98.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102360;MM102360;C#CC1C(N)C1N;AVXITERXDDEKEE-UHFFFAOYSA-N;96.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102361;MM102361;C#CC1C(N)C1O;WRNUWWABFKOOPX-UHFFFAOYSA-N;97.12;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102362;MM102362;C#CC1C(O)C1O;JCMGMENVXLRIND-UHFFFAOYSA-N;98.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102363;MM102363;C#CC1C(O)C1F;UXTJJCZPMQIIQF-UHFFFAOYSA-N;100.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102364;MM102364;C#CC1C(F)C1F;GDRKJQPVAFRWHC-UHFFFAOYSA-N;102.08;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102365;MM102365;C#CC1C(C)N1C;CTMJGUWIPOZFMU-UHFFFAOYSA-N;95.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102366;MM102366;CC1(C2CC2)CC1;VXMROXWXBFKQGY-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102367;MM102367;NC1(C2CC2)CC1;RTSBJFZXDBBUSI-UHFFFAOYSA-N;97.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102368;MM102368;CNC1=NCC(=O)N1;BNGKQWIJWSOEQM-UHFFFAOYSA-N;113.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102369;MM102369;FC1(C2CC2)CC1;QINXPBNWPQKMRO-UHFFFAOYSA-N;100.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102370;MM102370;NC1(C2CN2)CC1;RQICBFNEZQDRIB-UHFFFAOYSA-N;98.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102371;MM102371;FC1(C2CN2)CC1;ZFKSLXZONPIULV-UHFFFAOYSA-N;101.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102372;MM102372;CC1(C2CO2)CC1;FOYSYMLOWRLLRN-UHFFFAOYSA-N;98.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102373;MM102373;NC1(C2CO2)CC1;QFKCXZUUYZZSFE-UHFFFAOYSA-N;99.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102374;MM102374;OC1(C2CO2)CC1;VJRHYUYKRWMFEX-UHFFFAOYSA-N;100.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102375;MM102375;FC1(C2CO2)CC1;JQJYJSQFYOJQHK-UHFFFAOYSA-N;102.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102376;MM102376;CC1(C2CC2)CO1;IRIFIHXZWKAADH-UHFFFAOYSA-N;98.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102377;MM102377;CC1(C2CO2)CO1;YDCANTZAVGJEFZ-UHFFFAOYSA-N;100.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102378;MM102378;C1CC1CC1CC1;LLVRMRMMZQPDAK-UHFFFAOYSA-N;96.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102379;MM102379;C1CC1NC1CC1;JKWKFBUUNGGYBP-UHFFFAOYSA-N;97.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102380;MM102380;C1CC1OC1CC1;NUFBGJAEANEZKW-UHFFFAOYSA-N;98.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102381;MM102381;C1CC1CC1CO1;XJRZMZSQKABHEI-UHFFFAOYSA-N;98.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102382;MM102382;C1OC1CC1CO1;HCPAOTGVQASBMP-UHFFFAOYSA-N;100.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102383;MM102383;C1OC1CN1CC1;FFGKFIFGQSNNAH-UHFFFAOYSA-N;99.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102384;MM102384;CC1CC1C1CC1;LZNYLLCUOXRKDD-UHFFFAOYSA-N;96.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102385;MM102385;NC1CC1C1CC1;SZVQRCAIAVDYOF-UHFFFAOYSA-N;97.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102386;MM102386;CCNC1=NCC(=O)N1;LXTQUJZBKSIEEG-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102387;MM102387;FC1CC1C1CC1;UWKIKPQRGNYZPW-UHFFFAOYSA-N;100.14;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102388;MM102388;NC1CC1C1CN1;HXDQFHQMXXFLHI-UHFFFAOYSA-N;98.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102389;MM102389;CC1CC1C1CO1;RCBGOIVGIFJDFC-UHFFFAOYSA-N;98.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102390;MM102390;NC1CC1C1CO1;KFYQCOSONCTXNL-UHFFFAOYSA-N;99.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102391;MM102391;OC1CC1C1CO1;MVFHPULBEKFHRD-UHFFFAOYSA-N;100.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102392;MM102392;FC1CC1C1CO1;NRDYFGNTOMMGCI-UHFFFAOYSA-N;102.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102393;MM102393;CC1OC1C1CC1;DYDVZSBABNQRFE-UHFFFAOYSA-N;98.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102394;MM102394;CC1OC1C1CO1;HAPXCVYKFSWMNS-UHFFFAOYSA-N;100.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102395;MM102395;CN1CC1C1CO1;MBMHWQKSJXMLPC-UHFFFAOYSA-N;99.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102396;MM102396;NC1CC1N1CC1;AFHWIHCXGPAVNL-UHFFFAOYSA-N;98.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102397;MM102397;CNC=CC(=NO)OC;PKXBFEUSVJMVFC-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102398;MM102398;FC1CC1N1CC1;DMASBGBNQOJOIJ-UHFFFAOYSA-N;101.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102399;MM102399;CC(C)CC(C)(C)C;NHTMVDHEPJAVLT-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102400;MM102400;CC(N)CC(C)(C)C;XAVBRZMHQJCGDI-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102401;MM102401;NNC1=NC(=NO)CO1;IDVHAYFFRMRRTI-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102402;MM102402;CC(F)CC(C)(C)C;QOOKAUDZPKVSRD-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102403;MM102403;CC(C)(C)CC(F)F;WXDKFTXEVUUFAH-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102404;MM102404;CC(C)CC(C)(C)N;BFUITLGNKICXGA-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102405;MM102405;C=CC=NOC(=NO)NN;VNLMKUKFOAIZQR-UHFFFAOYSA-N;144.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102406;MM102406;CC(C)(O)CC(F)F;YWKYYRIDWJBAHP-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102407;MM102407;CC(C)CC(C)(C)F;QDMGOZOMJYQJNR-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102408;MM102408;CC(N)CC(C)(C)F;XKCGVSKTJUNSIR-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102409;MM102409;CC(O)CC(C)(C)F;DUOURUCKSSLFRF-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102410;MM102410;CC(F)CC(C)(C)F;QBQLXNWNRALTJA-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102411;MM102411;CC(C)(F)CC(F)F;FGYQJRFCHVMHKD-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102412;MM102412;CC(C)CC(C)(F)F;CBDLMLQDFGGCPA-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102413;MM102413;CC(N)CC(C)(F)F;FNNGSJSDHUFVPD-UHFFFAOYSA-N;123.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102414;MM102414;CC(O)CC(C)(F)F;LZNGWZSYAGQHSC-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102415;MM102415;CC(F)CC(C)(F)F;LFMOARVPPXAAJE-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102416;MM102416;CC(F)(F)CC(F)F;GILFNDOWDFBFIH-UHFFFAOYSA-N;130.08;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102417;MM102417;CC(C)CC(F)(F)F;CONTVCYXDSFGMN-UHFFFAOYSA-N;126.12;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102418;MM102418;CC(N)CC(F)(F)F;HKEQNJJYWZWKMC-UHFFFAOYSA-N;127.11;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102419;MM102419;CC(O)CC(F)(F)F;MZYWEUWEIXJBPQ-UHFFFAOYSA-N;128.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102420;MM102420;CC(F)CC(F)(F)F;DFLXFUYFWQZKGT-UHFFFAOYSA-N;130.08;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102421;MM102421;FC(F)CC(F)(F)F;MSSNHSVIGIHOJA-UHFFFAOYSA-N;134.05;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102422;MM102422;CC(C)NC(C)(C)C;ZWXQPERWRDHCMZ-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102423;MM102423;CC(C)OC(C)(C)C;HNFSPSWQNZVCTB-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102424;MM102424;CN(C)CC(C)(C)C;FUIRUFXAVIHAQB-UHFFFAOYSA-N;115.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102425;MM102425;CN(C)CC(C)(F)F;CKRAGTDNDBKSLX-UHFFFAOYSA-N;123.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102426;MM102426;C=C(C)CC(C)(C)C;FXNDIJDIPNCZQJ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102427;MM102427;CC(=O)CC(C)(C)C;AZASWMGVGQEVCS-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102428;MM102428;CC(C)(C)CC(=N)N;LCCOGJXPFJFMPR-UHFFFAOYSA-N;114.19;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102429;MM102429;NC=Cc1ccc(N=O)[nH]1;FEEQIMDOHZDIBY-UHFFFAOYSA-N;137.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102430;MM102430;CC(C)(C)CC(=O)O;MLMQPDHYNJCQAO-UHFFFAOYSA-N;116.16;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102431;MM102431;C=C(F)CC(C)(C)C;MYCVPNOSJYLOES-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102432;MM102432;C=C(C)CC(C)(C)N;LTUAICRPWSKSKQ-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102433;MM102433;CC(C)(N)CC(=N)N;NSBQDCPPBPDXCE-UHFFFAOYSA-N;115.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102434;MM102434;CC(C)(N)CC(N)=O;BQVGZFQLSSJSMW-UHFFFAOYSA-N;116.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102435;MM102435;CN(N)C(=NO)OC=O;GZJUOYLYIWUXCM-UHFFFAOYSA-N;133.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102436;MM102436;CC(=O)CC(C)(C)O;SWXVUIWOUIDPGS-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102437;MM102437;C=C(F)CC(C)(C)O;AJLYFHHKGHXKPP-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102438;MM102438;C=C(C)CC(C)(C)F;KISMWABRBDZYJT-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102439;MM102439;CC(=O)CC(C)(C)F;AZTRNPNDARHJQO-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102440;MM102440;CC(C)(F)CC(=N)N;LDVMBCIJXGSEHV-UHFFFAOYSA-N;118.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102441;MM102441;CC(C)(F)CC(=O)O;TZEFNMZZMAAVNS-UHFFFAOYSA-N;120.12;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102442;MM102442;C=C(F)CC(C)(C)F;QAPQQJNJZHMPPE-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102443;MM102443;C=C(C)CC(C)(F)F;GWJCQFRGXKVICL-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102444;MM102444;CC(=O)CC(C)(F)F;OFFVSNBZABDUCS-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102445;MM102445;CC(F)(F)CC(N)=O;MIEDDOPQJPTTNJ-UHFFFAOYSA-N;123.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102446;MM102446;CC(F)(F)CC(=O)O;FFQIQSUQSSESSS-UHFFFAOYSA-N;124.09;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102447;MM102447;C=C(F)CC(C)(F)F;FXWOZCWTDARBFC-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102448;MM102448;C=C(C)CC(F)(F)F;ZUUPNCDCMMNBIX-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102449;MM102449;CC(=O)CC(F)(F)F;BTXXTMOWISPQSJ-UHFFFAOYSA-N;126.08;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102450;MM102450;C=C(F)CC(F)(F)F;DKSYJUPLFVFPRY-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102451;MM102451;CC(=N)NC(C)(C)C;GMOWVLNENGLWNO-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102452;MM102452;CNC1=NCC(=O)N1C;KUINWQCTJSBMBA-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102453;MM102453;C=C(C)OC(C)(C)C;UIFUVEPTFQPRDX-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102454;MM102454;CC(=O)OC(C)(C)C;WMOVHXAZOJBABW-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102455;MM102455;CC(C)(C)OC(=N)N;SEBFEOANNMLCCB-UHFFFAOYSA-N;116.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102456;MM102456;CC(C)=CC(C)(C)C;LAAVYEUJEMRIGF-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102457;MM102457;CC(F)=CC(C)(C)C;FYBPOOKLWOIMDH-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102458;MM102458;CC(C)(C)C=C(F)F;INULZSMMLUZJAL-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102459;MM102459;CC(C)=CC(C)(C)N;FOJFPSPHMDWSRB-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102460;MM102460;CC(C)(N)C=C(F)F;IOKMDLHWZGWCRT-UHFFFAOYSA-N;121.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102461;MM102461;C#Cc1cnc(C)n1O;QRNUZEKQHDYDIO-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102462;MM102462;CC(F)=CC(C)(C)O;OVOSUNVAPPYADC-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102463;MM102463;CC(C)(O)C=C(F)F;YNALTAZOYCSZAV-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102464;MM102464;CC(C)=CC(C)(C)F;DGXRLQFMLOJADO-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102465;MM102465;CC(F)=CC(C)(C)F;VYDPOLDDZVFAMT-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102466;MM102466;CC(C)(F)C=C(F)F;QEQYNBVODTUDIB-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102467;MM102467;CC(C)=CC(C)(F)F;OBYDUVYUOJFQSL-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102468;MM102468;CC(F)=CC(C)(F)F;KBPFCFYTUBEYDW-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102469;MM102469;CC(F)(F)C=C(F)F;ANELBWIZGLEFCG-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102470;MM102470;CC(C)=CC(F)(F)F;OFMQRNVQFADLCN-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102471;MM102471;CC(F)=CC(F)(F)F;VSPVOSOCAZPIJQ-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102472;MM102472;FC(F)=CC(F)(F)F;QAERDLQYXMEHEB-UHFFFAOYSA-N;132.03;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102473;MM102473;CC(C)(C)C(C)(C)C;OMMLUKLXGSRPHK-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102474;MM102474;CC(C)(C)C(C)(C)N;FGALPHNSQJNSNG-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102475;MM102475;N#CCOC(=N)NC=NO;PDRJYINPHVAWGQ-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102476;MM102476;CC(C)(C)C(C)(C)F;PITOAQQNSAAMBD-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102477;MM102477;CC(C)(C)C(C)(F)F;SSFMMOLTFRSBRZ-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102478;MM102478;CC(C)(C)C(F)(F)F;WQNXYRAMEVXDPW-UHFFFAOYSA-N;126.12;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102479;MM102479;CC(C)(N)C(C)(C)F;OTQPIXULJWUFDL-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102480;MM102480;CC(C)(N)C(F)(F)F;YFBWGBFWVFEGEZ-UHFFFAOYSA-N;127.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102481;MM102481;CC(C)(O)C(C)(C)O;IVDFJHOHABJVEH-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102482;MM102482;CC(C)(O)C(C)(C)F;CFOIQWACFNTMNS-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102483;MM102483;CC(C)(O)C(C)(F)F;TXXIGCNCXFCJIR-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102484;MM102484;CC(C)(O)C(F)(F)F;OCGWWLDZAFOHGD-UHFFFAOYSA-N;128.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102485;MM102485;CC(C)(F)C(C)(C)F;ANNYAEPJMBHHJG-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102486;MM102486;CC(C)(F)C(C)(F)F;CCJLENSREHVIFZ-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102487;MM102487;CC(C)(F)C(F)(F)F;HGLKKQQGYHLPAI-UHFFFAOYSA-N;130.08;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102488;MM102488;CC(F)(F)C(C)(F)F;AASDQMCRDOJFCP-UHFFFAOYSA-N;130.08;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102489;MM102489;CC(F)(F)C(F)(F)F;FDOPVENYMZRARC-UHFFFAOYSA-N;134.05;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102490;MM102490;FC(F)(F)C(F)(F)F;WMIYKQLTONQJES-UHFFFAOYSA-N;138.01;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102491;MM102491;CC1(C)CC(C)(C)C1;VIJZZJKGTNSBLL-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102492;MM102492;CC1(C)CC(C)(N)C1;DHBXJPMOXFTSQC-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102493;MM102493;CCN(N)C(C)=NNC=O;HVQWCRROIDPPJH-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102494;MM102494;CC1(C)CC(C)(F)C1;KGJCXGJUIAQABA-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102495;MM102495;CC1(C)CC(F)(F)C1;XEJUWKPUJNHQOS-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102496;MM102496;CC1(N)CC(C)(N)C1;XSMFYOANGJMVCU-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102497;MM102497;CC1(N)CC(C)(O)C1;XMTWUKWMWAKBND-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102498;MM102498;CC1(N)CC(C)(F)C1;CVHMBJPAHGNFQX-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102499;MM102499;CC1(N)CC(F)(F)C1;WUZMZQGHLORJBL-UHFFFAOYSA-N;121.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102500;MM102500;CC1(O)CC(C)(O)C1;YMAKSIGPASIULR-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102501;MM102501;CC1(O)CC(C)(F)C1;PEEGJRMTJIBVOY-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102502;MM102502;CC1(O)CC(F)(F)C1;NUCXHBHYIAPOLH-UHFFFAOYSA-N;122.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102503;MM102503;CC1(F)CC(C)(F)C1;RKVZBOGXHXPWIX-UHFFFAOYSA-N;120.14;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102504;MM102504;CC1(F)CC(F)(F)C1;SIRCNTCGXWEGHV-UHFFFAOYSA-N;124.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102505;MM102505;FC1(F)CC(F)(F)C1;VETBIWWZSIEJEL-UHFFFAOYSA-N;128.07;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102506;MM102506;CC1(C)CC(C)(C)N1;LQUFHIPRZXGNBM-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102507;MM102507;CC1(C)CC(C)(C)O1;BOLHSRBNBVFMDL-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102508;MM102508;CCC(C)C(C)(C)C;XTDQDBVBDLYELW-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102509;MM102509;CC(CN)C(C)(C)C;CGXTZRLPKKSQOC-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102510;MM102510;N=CNC(=NO)OC=NN;DDIOPISTUPXMFZ-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102511;MM102511;CC(CF)C(C)(C)C;UXMDHGGXCDUBMW-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102512;MM102512;CCC(N)C(C)(C)C;PCQKMDBZOIYAKY-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102513;MM102513;CC(C)(C)C(N)CN;KKMKAWJAGGJWTJ-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102514;MM102514;CC(C)(C)C(N)CF;YMCXJINCUJCJLH-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102515;MM102515;CCC(=NNC=O)N(C)N;SPTGNSGCAYJBFB-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102516;MM102516;CC(C)(C)C(O)CO;YVHAOWGRHCPODY-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102517;MM102517;CC(C)(C)C(F)CN;FXZFYDRDSPCZKE-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102518;MM102518;CCC(C)C(C)(C)N;QPNLIXPLFDFQMS-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102519;MM102519;CC(CF)C(C)(C)N;VJNFSXYZLNZIMA-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102520;MM102520;CC(C)(N)C(N)CN;FFKKQXILXGFRAL-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102521;MM102521;CC(C)(N)C(N)CO;NVMFTTGQNTVGOY-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102522;MM102522;CC(C)(N)C(O)CN;CESLLPVZIIDNRB-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102523;MM102523;CC(C)(N)C(O)CO;CITXRMPGAABIAC-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102524;MM102524;CC(C)(N)C(O)CF;UAPQIFCVLWAQGQ-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102525;MM102525;CC(C)(N)C(F)CO;JYIXBFWMTXQJEH-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102526;MM102526;CC(C)(N)C(F)CF;AKZUMQDTPBPBCG-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102527;MM102527;ON=C1CN=C(NO)OC1;ZGHNJJDDHWHDKL-UHFFFAOYSA-N;145.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102528;MM102528;CC(CF)C(C)(C)O;YJAFFGDWJQFMST-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102529;MM102529;CC(C)(O)C(N)CN;ZXQNQYPKCBEMAO-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102530;MM102530;CC(C)(O)C(N)CO;DTIASTFIVFSLOV-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102531;MM102531;CC(C)(O)C(N)CF;LXYLDPJZKHOXLO-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102532;MM102532;CC(C)(O)C(O)CN;BVWUNQADJNOXKU-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102533;MM102533;CC(C)(O)C(O)CO;QFZITDCVRJQLMZ-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102534;MM102534;CC(C)(O)C(O)CF;ASACKGMURFEUQL-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102535;MM102535;CC(C)(O)C(F)CN;QNFKDKWENVIYDB-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102536;MM102536;CC(C)(O)C(F)CF;DXOHRQFDSLJDAJ-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102537;MM102537;CCC(C)C(C)(C)F;GHZKKCNTUCWFNN-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102538;MM102538;CC(CN)C(C)(C)F;QGCQFZUKLIYXJE-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102539;MM102539;CC(CO)C(C)(C)F;HKJILKSFIMKZOA-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102540;MM102540;CC(CF)C(C)(C)F;BHMMYKXNNLREHQ-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102541;MM102541;CCC(N)C(C)(C)F;JIVBXKBTFXNLHJ-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102542;MM102542;CC(C)(F)C(N)CN;VWTCBJFUSAKXRD-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102543;MM102543;CC(C)(F)C(N)CO;XQVHZUCZNUYXGD-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102544;MM102544;CC(C)(F)C(O)CN;GTBBUUMAQSLGOX-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102545;MM102545;CC(C)(F)C(O)CO;IDHSYWWXZDXBNA-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102546;MM102546;CC(C)(F)C(O)CF;WDGOVOUMCHVEIG-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102547;MM102547;CC(C)(F)C(F)CO;DWGWMFTYIFKZKP-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102548;MM102548;CCC(C)C(C)(F)F;NSBQAUADNQVRNT-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102549;MM102549;CC(CN)C(C)(F)F;XTUXSABSTTYHNJ-UHFFFAOYSA-N;123.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102550;MM102550;CC(CO)C(C)(F)F;LYCROCVBYVMABV-UHFFFAOYSA-N;124.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102551;MM102551;CCC(O)C(C)(F)F;OVRDUIBWCAZVJD-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102552;MM102552;CC(F)(F)C(O)CF;PWMLCVKOGUCPCF-UHFFFAOYSA-N;128.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102553;MM102553;CC(CN)C(F)(F)F;RGXWOVRGNDFFDI-UHFFFAOYSA-N;127.11;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102554;MM102554;CC(CO)C(F)(F)F;GPEPNXRUEOKKDO-UHFFFAOYSA-N;128.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102555;MM102555;CCC(O)C(F)(F)F;IBWNUWSYEJOUAH-UHFFFAOYSA-N;128.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102556;MM102556;OC(CF)C(F)(F)F;RGXJJVWBAZLFFJ-UHFFFAOYSA-N;132.06;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102557;MM102557;CNC(C)C(C)(C)C;WVNLIXPHUXNITQ-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102558;MM102558;CNC(C)C(C)(C)F;YJARNSHQVDVMPY-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102559;MM102559;COC(C)C(C)(C)C;GLSPZOVVXNTNTN-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102560;MM102560;COC(C)C(C)(C)F;LKVKVELPTOWVMT-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102561;MM102561;COC(C)C(C)(F)F;KPANSYXHOSBFNK-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102562;MM102562;COC(C)C(F)(F)F;KVRDTYTVCCKIMF-UHFFFAOYSA-N;128.09;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102563;MM102563;CCN(C)C(C)(C)C;BWWLCYLGZIWOHK-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102564;MM102564;C=CC(C)C(C)(C)C;BOPVNOMJIDZBQB-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102565;MM102565;CC(C=O)C(C)(C)C;IHZLWFWSVIGUST-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102566;MM102566;CC(C#N)C(C)(C)C;XNBZBTZXGQNTNY-UHFFFAOYSA-N;111.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102567;MM102567;C=CC(N)C(C)(C)C;MBZJUGJUOCWFQT-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102568;MM102568;C=NNCC(C)(C)C=NO;ZUECVTDZWPAHEL-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102569;MM102569;CC(C)(C)C(O)C#N;SAOOLIIHRNLCBT-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102570;MM102570;C=CC(F)C(C)(C)C;ISGDQYSWNXKUPM-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102571;MM102571;CC(C)(C)C(F)C=O;MJKKRLWKIGSMER-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102572;MM102572;CC(C)(C)C(F)C#N;GLBGTXHTJXXIBX-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102573;MM102573;C=CC(F)C(C)(C)N;OFMCZNRGNMFVCW-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102574;MM102574;NC1=CC(=NO)CC1F;JOGWHZUCCGQVGE-UHFFFAOYSA-N;130.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102575;MM102575;CC(C)(O)C(F)C=O;VLQHGVOAUZBORG-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102576;MM102576;C=CC(C)C(C)(C)F;DQXLEAKAYBZKJQ-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102577;MM102577;CC(C=O)C(C)(C)F;MMDYCWCUDBZCEI-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102578;MM102578;C=CC(N)C(C)(C)F;ADJRMLRRDOANJB-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102579;MM102579;C=CC(O)C(C)(C)F;INUFMQYPROWGNY-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102580;MM102580;CC(C)(F)C(F)C#N;MAOIOYZLSPMSCL-UHFFFAOYSA-N;119.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102581;MM102581;C=CC(C)C(C)(F)F;SRALCYPIOKKEEB-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102582;MM102582;CC(C=O)C(C)(F)F;LDKDRKRVGORBAJ-UHFFFAOYSA-N;122.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102583;MM102583;C=CC(O)C(C)(F)F;DGMBTFNTIPFIFI-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102584;MM102584;CC(F)(F)C(O)C=O;YWYUXTPBDXXTPH-UHFFFAOYSA-N;124.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102585;MM102585;CC(F)(F)C(F)C#N;RMMDJYDUDNDIJJ-UHFFFAOYSA-N;123.08;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102586;MM102586;C=CC(C)C(F)(F)F;JXHVCTIWAJHTFL-UHFFFAOYSA-N;124.11;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102587;MM102587;C=CC(O)C(F)(F)F;WYTUDWNSOPEAIA-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102588;MM102588;N#CC(F)C(F)(F)F;CFPAMJZAMYOJER-UHFFFAOYSA-N;127.04;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102589;MM102589;CN(C=N)C(C)(C)C;WTIMIMYBGLAKNK-UHFFFAOYSA-N;114.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102590;MM102590;CN(C=O)C(C)(C)C;GZKMWSAXNHPVJH-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102591;MM102591;CC(C)(C)N(N)C=N;RYLFUBTUXDEVOE-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102592;MM102592;C=NN(C)C(C)(C)C;ZLYUQZGMCJJAOL-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102593;MM102593;C#CC(C)C(C)(C)C;YVCDGUFZWJTGJM-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102594;MM102594;C#CC(N)C(C)(C)C;PMWAAXIXEBSFCD-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102595;MM102595;C#CC(O)C(C)(C)C;ILPLTEOGHOQFHJ-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102596;MM102596;C#CC(F)C(C)(C)C;VJSNNOBBBGVPQX-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102597;MM102597;C#CC(C)C(C)(C)N;LFXYSXBPSIANFQ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102598;MM102598;C#CC(N)C(C)(C)N;VRVJTMTVHHRLGV-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102599;MM102599;C#CC(O)C(C)(C)N;NTZTWIQVMUNFEN-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102600;MM102600;C#CC(F)C(C)(C)N;ICEGVCRTYCCRQG-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102601;MM102601;C#CC(N)C(C)(C)O;TYYUYXGYXNGPBC-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102602;MM102602;C#CC(O)C(C)(C)O;VLKGSDKAZYUCCY-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102603;MM102603;C#CC(F)C(C)(C)O;DJIIBYDISRQHCG-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102604;MM102604;C#CC(C)C(C)(C)F;REGDCNRJWWGFHZ-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102605;MM102605;C#CC(O)C(C)(C)F;ZZUITLYOBYYPJI-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102606;MM102606;C#CC(F)C(C)(C)F;TZWVIJQAMJUZAX-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102607;MM102607;C#CC(C)C(C)(F)F;FYJUWTJXSDLBOR-UHFFFAOYSA-N;118.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102608;MM102608;C#CC(F)C(C)(F)F;KGPGRPRKDIMGOL-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102609;MM102609;C#CC(C)C(F)(F)F;ZZILFAOKEGNHMP-UHFFFAOYSA-N;122.09;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102610;MM102610;C#CC(F)C(F)(F)F;KBPLFXYUWHXTEQ-UHFFFAOYSA-N;126.05;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102611;MM102611;C=C(CC)C(C)(C)C;KQRPZENSXZIOQO-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102612;MM102612;C=C(CN)C(C)(C)C;MEOLYIUTMIQRGF-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102613;MM102613;N=C(N)C(=O)NC(=O)CF;CBTMIRWSDIUCJW-UHFFFAOYSA-N;147.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102614;MM102614;C=C(CF)C(C)(C)C;UQZVCSOKOONXPF-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102615;MM102615;CCC(=O)C(C)(C)C;VLNUTKMHYLQCQB-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102616;MM102616;CC(C)(C)C(=O)CF;HWLZJIJKCKHVAM-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102617;MM102617;C=C(CC)C(C)(C)N;IRBWDYOTGFOGOE-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102618;MM102618;C=C(CF)C(C)(C)N;UJKMZJMZXABDDZ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102619;MM102619;C=CC(=O)NN=CN(C)N;QUXMXUOHTSHTHA-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102620;MM102620;C=C(CF)C(C)(C)O;OBJKJZZCBJAADG-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102621;MM102621;CC(C)(O)C(=O)CF;CTFCJLKVTLGNBB-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102622;MM102622;C=C(CC)C(C)(C)F;MEDWWBXIZWXQAU-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102623;MM102623;C=C(CN)C(C)(C)F;HSUIJFQLAHFHQD-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102624;MM102624;C=C(CO)C(C)(C)F;UOHKULMKGAUUJN-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102625;MM102625;C=C(CF)C(C)(C)F;BFQZLQPAAHNTAK-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102626;MM102626;CC(C)(F)C(=O)CF;KUHKXZQJLATMPY-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102627;MM102627;C=C(CC)C(C)(F)F;BWAVZHUCTGWCLB-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102628;MM102628;C=C(CN)C(C)(F)F;TWQYQOBUKLNUJA-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102629;MM102629;C=C(CF)C(C)(F)F;FROYRNGFORJBIW-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102630;MM102630;C=C(CC)C(F)(F)F;AYOWJVNPAHULRP-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102631;MM102631;C=C(CN)C(F)(F)F;MPGVDMCOJRZRSP-UHFFFAOYSA-N;125.09;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102632;MM102632;C=C(CO)C(F)(F)F;NVFLEVFZDHKWKL-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102633;MM102633;O=C(CO)C(F)(F)F;FROJKGLPWQKKOL-UHFFFAOYSA-N;128.05;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102634;MM102634;CNC(=N)C(C)(C)C;LDRZVCVCMGMRLX-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102635;MM102635;CC(C)(C)C(=N)NN;AWARBCCMZMWCIV-UHFFFAOYSA-N;115.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102636;MM102636;CC(=NO)N(O)C=N;XSMNVGMVDJWJSJ-UHFFFAOYSA-N;117.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102637;MM102637;CC(C)(N)C(=N)NO;UXLRRFKVYYZHMY-UHFFFAOYSA-N;117.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102638;MM102638;CC(C)(O)C(=N)NN;RMAROLDULOWOLR-UHFFFAOYSA-N;117.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102639;MM102639;CC(C)(O)C(=N)NO;WNNSNZSHDOGSHA-UHFFFAOYSA-N;118.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102640;MM102640;CC(C=NO)=C(N)CF;CTHFNVOGEMPDRH-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102641;MM102641;CC(C)(O)C(=O)NO;POADRSSDESMQTL-UHFFFAOYSA-N;119.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102642;MM102642;C=C(OC)C(C)(C)C;ZKJCCGFDBUVUFW-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102643;MM102643;COC(=O)C(C)(C)C;CNMFHDIDIMZHKY-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102644;MM102644;C=C(OC)C(C)(C)N;GFJCNMNPYPRQFW-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102645;MM102645;C=C(OC)C(C)(C)O;IKMAEIFUPOZKRG-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102646;MM102646;C=C(OC)C(C)(C)F;FFQNWUHLTOWYFD-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102647;MM102647;COC(=O)C(C)(C)F;OEGBOFOVYSOERL-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102648;MM102648;C=C(OC)C(C)(F)F;CEKLTQHKKBTOGF-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102649;MM102649;COC(=O)C(C)(F)F;RWBWZPDOQVNCHU-UHFFFAOYSA-N;124.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102650;MM102650;C=C(OC)C(F)(F)F;MPSFRUKARJREDG-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102651;MM102651;C=CC(=C)C(C)(C)C;WAXBWZULOIZPKQ-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102652;MM102652;C=C(C=O)C(C)(C)C;DHGPQZABCDXAEA-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102653;MM102653;C=C(C#N)C(C)(C)C;GURORDQYFXXZCY-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102654;MM102654;C=CC(=O)C(C)(C)C;MUOKXXOKLLKNIE-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102655;MM102655;CC(C)(C)C(=O)C#N;NPBLQPWAISGYEU-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102656;MM102656;C=CC(=C)C(C)(C)N;TUOUOABMUNFZGR-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102657;MM102657;N=CN(C=CF)C=NO;YBEIQBZEZZQUGG-UHFFFAOYSA-N;131.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102658;MM102658;C=C(C#N)C(C)(C)O;HORWFPCXARJWIB-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102659;MM102659;C=CC(=C)C(C)(C)F;AJQQUSWOXWZABM-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102660;MM102660;C=C(C=O)C(C)(C)F;YMBDCUHLIXAIRW-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102661;MM102661;C=C(C#N)C(C)(C)F;ZUOCBWVJAYLYEK-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102662;MM102662;C=CC(=O)C(C)(C)F;SLWPEAGWABMDCC-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102663;MM102663;CC(C)(F)C(=O)C#N;BRPALNSAGFZTKK-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102664;MM102664;C=CC(=C)C(C)(F)F;FZIOUNHBMLWQLK-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102665;MM102665;C=C(C=O)C(C)(F)F;AOZCLSYEVPPSMF-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102666;MM102666;C=C(C#N)C(C)(F)F;TZMYBWLMSLQZGT-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102667;MM102667;C=CC(=O)C(C)(F)F;UJRZEHHECIDNIP-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102668;MM102668;CC(F)(F)C(=O)C#N;WCSGHCLCEJLQKC-UHFFFAOYSA-N;119.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102669;MM102669;C=CC(=C)C(F)(F)F;SWERAHKQPFRJBK-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102670;MM102670;C=C(C=O)C(F)(F)F;QCPZADNQQXESPI-UHFFFAOYSA-N;124.06;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102671;MM102671;C=C(C#N)C(F)(F)F;XHOYJCHWYPGFNS-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102672;MM102672;O=CC(=O)C(F)(F)F;CNQOORHYEKAWRC-UHFFFAOYSA-N;126.03;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102673;MM102673;C#CC(=C)C(C)(C)C;QWHIQSWSAUCGGU-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102674;MM102674;C#CC(=O)C(C)(C)C;XRWYQSOYUZOEQH-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102675;MM102675;C#CC(=C)C(C)(C)N;RAPCEBGZHSGSBX-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102676;MM102676;CC(N)=CC(C=NO)=NN;XNYDSYPJNQHQLQ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102677;MM102677;C#CC(=C)C(C)(C)F;QLWNXPYNXISQBS-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102678;MM102678;C#CC(=O)C(C)(C)F;HEDJSXSCNGEVCX-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102679;MM102679;C#CC(=C)C(C)(F)F;AVDZBPNCYUVIGS-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102680;MM102680;C#CC(=C)C(F)(F)F;XKKFJECTDHZULG-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102681;MM102681;CC=C(C)C(C)(C)C;FZQMZRXKWHQJAG-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102682;MM102682;CC(=CF)C(C)(C)C;IUCJPEUTWSNLOU-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102683;MM102683;CC=C(F)C(C)(C)C;BSLSMHQINUJRGB-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102684;MM102684;CC(C)(C)C(F)=CF;HXUXULPIOLVWCJ-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102685;MM102685;CC=C(C)C(C)(C)N;NJJJYIMBYIHINR-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102686;MM102686;CC(=CF)C(C)(C)N;WBEQURVFRHBLCW-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102687;MM102687;CC=C(F)C(C)(C)N;CNZWXMXNFQPOBZ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102688;MM102688;CC(C)(N)C(F)=CF;GDSYEXVTDFENKI-UHFFFAOYSA-N;121.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102689;MM102689;NN=CN(N)C=NNC=O;IMDSNOWFBGGBLY-UHFFFAOYSA-N;144.14;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102690;MM102690;CC(=CF)C(C)(C)O;IVEPOBJKSAICLL-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102691;MM102691;CC=C(F)C(C)(C)O;ULIAUWAPWCQKEH-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102692;MM102692;CC=C(C)C(C)(C)F;BBLSRLQEGCKYFH-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102693;MM102693;CC(=CF)C(C)(C)F;PKFGAXZKGXTGIZ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102694;MM102694;CC=C(F)C(C)(C)F;FVZKZTZTVQGNDJ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102695;MM102695;CC=C(C)C(C)(F)F;GGQMFLNPTARCQD-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102696;MM102696;CC(=CF)C(C)(F)F;ZUJNROKJKYNZTF-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102697;MM102697;CC=C(F)C(C)(F)F;AXTRAQMZBCPMHI-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102698;MM102698;CC=C(C)C(F)(F)F;AJUYSPOHIUJAFG-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102699;MM102699;CC(=NN)C(C)(C)C;HQEFLSCEXXFMQV-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102700;MM102700;CC(=NO)C(C)(C)C;UNSDDJQNHCSVSW-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102701;MM102701;CC(=NN)C(C)(C)F;DPPNEDKPSHDQQL-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102702;MM102702;CC(=NN)C(C)(F)F;CNZAZXGLMYZQRO-UHFFFAOYSA-N;122.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102703;MM102703;N=C(C=CN)N(O)C=NO;MLLSAYJEXGQCCU-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102704;MM102704;CCCCC(C)(C)C;FLTJDUOFAQWHDF-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102705;MM102705;CC(C)(C)CCCN;MJOCCSXOVAVKFC-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102706;MM102706;CC(C)(C)CCCO;OWCNPTHAWPMOJU-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102707;MM102707;CC(C)(C)CCCF;BSJHFQAQNPLHQZ-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102708;MM102708;CCCCC(C)(C)N;QHZRZIWCGRXBRY-UHFFFAOYSA-N;115.22;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102709;MM102709;CNN=C(C=CN)C=NO;ZWYKXXJMNRLOLF-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102710;MM102710;CCCCC(C)(C)F;XJPHJTCHVBZRDY-UHFFFAOYSA-N;118.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102711;MM102711;CC(C)(F)CCCO;POUOABGGUJVWHG-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102712;MM102712;CC(C)(F)CCCF;SFYQZSQBWAZQSC-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102713;MM102713;CCCCC(C)(F)F;FKCBQSDSAJSHIR-UHFFFAOYSA-N;122.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102714;MM102714;CC(F)(F)CCCO;AVKWYAWXQNRRLC-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102715;MM102715;CCCCC(F)(F)F;GENRYAJRHIWOJI-UHFFFAOYSA-N;126.12;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102716;MM102716;NCCCC(F)(F)F;LAXWLCVPJLBABV-UHFFFAOYSA-N;127.11;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102717;MM102717;FCCCC(F)(F)F;DRAYTZMWYADDHU-UHFFFAOYSA-N;130.08;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102718;MM102718;CNCCC(C)(C)C;WAZBVLOECYSDDA-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102719;MM102719;CNCCC(C)(C)F;KUFKKQWOIMEMGS-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102720;MM102720;CNCCC(F)(F)F;ONBBNBDNLGQXIX-UHFFFAOYSA-N;127.11;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102721;MM102721;COCCC(C)(C)C;AMFZAMPDFJKBON-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102722;MM102722;COCCC(C)(C)F;OJZCVHDTPBWOLO-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102723;MM102723;COCCC(C)(F)F;RBAKSJNZOLHQDC-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102724;MM102724;COCCC(F)(F)F;YUOXYWMLEGWQLB-UHFFFAOYSA-N;128.09;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102725;MM102725;CCNCC(C)(C)C;WHXPIXBWEZSBJL-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102726;MM102726;CCNCC(C)(C)F;RALZNIYBHRRMKY-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102727;MM102727;CCNCC(F)(F)F;GFQKFGQPVBTZOV-UHFFFAOYSA-N;127.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102728;MM102728;CCOCC(C)(C)C;BQMLWEKOSHSOFT-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102729;MM102729;CCOCC(C)(C)N;CSHMRHZWHFQJRX-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102730;MM102730;CCOCC(C)(C)O;BCYNAHGOLUTMDM-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102731;MM102731;CCOCC(C)(C)F;VKRYAUHQJAEAGY-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102732;MM102732;CCOCC(C)(F)F;MQADNNGGAXSAJO-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102733;MM102733;CCOCC(F)(F)F;ZKNHDJMXIUOHLX-UHFFFAOYSA-N;128.09;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102734;MM102734;CCCNC(C)(C)C;LJQGARKSJMMQBX-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102735;MM102735;CC(C)(C)NCCF;WDKAUSRWSDBGOW-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102736;MM102736;CCCOC(C)(C)C;FITVQUMLGWRKKG-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102737;MM102737;CC(C)(C)OCCN;BLMLZYILSIZQTL-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102738;MM102738;CC(C)(C)OCCO;BDLXTDLGTWNUFM-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102739;MM102739;CC(C)(C)OCCF;HLHWCTJNTJXXBZ-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102740;MM102740;COCOC(C)(C)C;ALILJLJMSPZLBU-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102741;MM102741;C=CCCC(C)(C)C;KZJIOVQKSAOPOP-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102742;MM102742;CC(C)(C)CCC=O;DZWACSVTJIDBDB-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102743;MM102743;CC(C)(C)CCC#N;VXVUDUCBEZFQGY-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102744;MM102744;C=CCCC(C)(C)N;FFYKEHZJIQVGBC-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102745;MM102745;CCC(=NO)N(C=N)OC;RGAABWQWSJRZAG-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102746;MM102746;CC(C)(O)CCC=O;NEJZWIVQOAKZHY-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102747;MM102747;C=CCCC(C)(C)F;QVNXWFGLBKWVOH-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102748;MM102748;CC(C)(F)CCC=O;VNUXFKLZOWTEPX-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102749;MM102749;CC(C)(F)CCC#N;ZYDFKSKDWYRRAM-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102750;MM102750;C=CCCC(C)(F)F;PQBCFPCHDLMXPJ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102751;MM102751;CC(F)(F)CCC=O;RGOOZDATOXURJO-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102752;MM102752;CC(F)(F)CCC#N;TVEBHSFULXLEKV-UHFFFAOYSA-N;119.11;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102753;MM102753;C=CCCC(F)(F)F;XBPQVFXJMSJCDB-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102754;MM102754;CC(C)(C)CNC=N;WJJMVIXUTMBBAX-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102755;MM102755;N#CCNC=NNC=NO;ASOFZCQSCBNFAU-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102756;MM102756;CC(C)(N)CNC=N;DCPUSXOCUZCXNC-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102757;MM102757;CC(C)(N)CNC=O;YBGANODAHUDMIG-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102758;MM102758;CC(C)(O)CNC=N;VZGNEUOZRGJPBR-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102759;MM102759;CC(C)(F)CNC=N;PDSFOQDIWUBHJT-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102760;MM102760;CC(=O)OC(=NO)NN;SMNLFQWAYICNNZ-UHFFFAOYSA-N;133.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102761;MM102761;CC(=O)NC(=N)N=CNO;ZJTHVCXTSGEIKQ-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102762;MM102762;C=COCC(C)(C)C;GJNDXPONYMDBFD-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102763;MM102763;CC(C)(C)COC=O;DGMIPKNXUDSQGI-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102764;MM102764;C=COCC(C)(C)N;VJMVRFXCVYILRL-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102765;MM102765;C=COCC(C)(C)O;HCBAQTCAWQENBZ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102766;MM102766;C=COCC(C)(C)F;WTGBLFJKSVUHGE-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102767;MM102767;CC(C)(F)COC=O;XNMPYISNPNAUMN-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102768;MM102768;C=COCC(C)(F)F;BFQPOOORUDJVNS-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102769;MM102769;CC(F)(F)COC=O;GHFUWPCTYLBBSG-UHFFFAOYSA-N;124.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102770;MM102770;C=COCC(F)(F)F;DLEGDLSLRSOURQ-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102771;MM102771;C=NOCC(C)(C)C;LOUIRZKCIZVOMB-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102772;MM102772;C=NOCC(C)(C)N;GIVWLUGUWICBOM-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102773;MM102773;C=NOCC(C)(C)F;PKQKANFARGQNJZ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102774;MM102774;C=NOCC(C)(F)F;VTKWBNVUMUJEQO-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102775;MM102775;C=CCNC(C)(C)C;MDFOQCKFSUMLET-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102776;MM102776;CC(C)(C)NCC=O;GYWVTVGJAKUBLR-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102777;MM102777;CC(C)(C)NCC#N;KOOCPROKRWKLJI-UHFFFAOYSA-N;112.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102778;MM102778;C=CCOC(C)(C)C;FHVRTMVXBVDWCK-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102779;MM102779;CC(C)(C)OCC=O;SMUYZOMGNHBYHU-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102780;MM102780;CC(C)(C)OCC#N;OQZSWZJDAMTZRM-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102781;MM102781;CC(C)(C)ONC=N;JGVFTWZSUHNQJC-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102782;MM102782;CC(C)(C)ONC=O;MVUFWOYGZNPKSO-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102783;MM102783;C#CCCC(C)(C)C;POTVXOWIFWCTAN-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102784;MM102784;C#CCCC(C)(C)N;QBNYTQIMLAFVSR-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102785;MM102785;CC=CN(N)C=NNC=O;JKJVUINWZPLGDM-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102786;MM102786;C#CCCC(C)(C)F;GATHAZDEHVYJPJ-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102787;MM102787;C#CCCC(C)(F)F;BFPLFQKBQOEENJ-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102788;MM102788;C#CCCC(F)(F)F;MTJUNDCHHMVPGC-UHFFFAOYSA-N;122.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102789;MM102789;C#CCNC(C)(C)C;HFHYSEXNJLYHIF-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102790;MM102790;C#CCOC(C)(C)C;QIGSPXPODKLGRK-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102791;MM102791;CC=CCC(C)(C)C;NWZJLSKAFZXSQH-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102792;MM102792;CC(C)(C)CC=CF;PEFNNLKMKFYNOT-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102793;MM102793;CC=CCC(C)(C)N;UJSOPWBETPJAJN-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102794;MM102794;CC(C)(N)CC=CF;FMNLTXOYNBQMBG-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102795;MM102795;NN(C=CF)C=NNC=O;DZGQZNVKMRVQRW-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102796;MM102796;CC(C)(O)CC=CF;MFKVARVMAAMTNH-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102797;MM102797;CC=CCC(C)(C)F;DKZZWSHMUGPTAR-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102798;MM102798;CC(C)(F)CC=CF;PFUUFTPPFVFLIX-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102799;MM102799;CC=CCC(C)(F)F;BJOHDSTVYHWXOF-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102800;MM102800;CC(F)(F)CC=CF;NYIOIOUYOKIVLS-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102801;MM102801;CC=CCC(F)(F)F;HJVGDTDDWBBIRK-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102802;MM102802;FC=CCC(F)(F)F;HBNHMHOVKXPSOO-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102803;MM102803;CC(C)(C)CC=NN;OLIQCHYEIOHFOS-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102804;MM102804;C#CC(C=C(N)CO)=NO;BIAJIKFXCQJTHW-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102805;MM102805;CC(C)(O)CC=NO;NGVPKPDLASYDNX-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102806;MM102806;CC(C)(F)CC=NN;RAAFPWGAYGZUHY-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102807;MM102807;CC(C)(F)CC=NO;BUUQUGFIEDZHEV-UHFFFAOYSA-N;119.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102808;MM102808;CC(F)(F)CC=NN;LUEJFISEPYMHPF-UHFFFAOYSA-N;122.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102809;MM102809;CC(F)(F)CC=NO;GCDVYCBMSRRZIY-UHFFFAOYSA-N;123.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102810;MM102810;CCOC(C=CNC)=NO;HEMBEQXHCDYLGN-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102811;MM102811;CN=CNC(C)(C)C;ACIQGGDJEYGLKZ-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102812;MM102812;CC(C)(C)N=CNN;KNKBKVKTSDGGJN-UHFFFAOYSA-N;115.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102813;MM102813;CC=COC(C)(C)C;XGCRQUBGQPXCPL-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102814;MM102814;CC(C)(C)OC=CF;BUPUTKBWAAESKH-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102815;MM102815;CC=NOC(C)(C)C;GAUVLAHFMWWJJY-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102816;MM102816;CC#CCC(C)(C)C;AXLFTJMZKJKQIK-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102817;MM102817;CC#CCC(C)(C)N;XYXAIPXKQPBSFW-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102818;MM102818;CCC#CC(C=NO)=CN;NIQCADFGQLMUIH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102819;MM102819;CC#CCC(C)(C)F;BHGGKVFNYIEDDG-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102820;MM102820;CC#CCC(C)(F)F;SIEUKOJIFXGQNM-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102821;MM102821;CC#CCC(F)(F)F;HNBQBMGTXOEGHX-UHFFFAOYSA-N;122.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102822;MM102822;CCC=CC(C)(C)C;JPLZSSHKQZJYTJ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102823;MM102823;CC(C)(C)C=CCN;HLZOYFYFAKWYNH-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102824;MM102824;CC(C)(C)C=CCO;CENIKOVZZYSSJM-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102825;MM102825;CC(C)(C)C=CCF;FNNGYFNKQDYQOP-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102826;MM102826;CCC=CC(C)(C)N;GDTXTZNKMPKMNV-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102827;MM102827;CC(C)(N)C=CCF;DXKSEVAQNCGLHX-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102828;MM102828;C=NNc1cc(C#N)[nH]n1;KRAIAHAKCOGSMJ-UHFFFAOYSA-N;135.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102829;MM102829;CC(C)(O)C=CCF;FRVSYYMIYGAHJS-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102830;MM102830;CCC=CC(C)(C)F;LOYZZKGBXMYRQB-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102831;MM102831;CC(C)(F)C=CCN;JERLHUQMIHIAGO-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102832;MM102832;CC(C)(F)C=CCO;TVJMCVSPPMRYGU-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102833;MM102833;CC(C)(F)C=CCF;MZEINHLCIXDKAJ-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102834;MM102834;CCC=CC(C)(F)F;GRFPAUMJECFGNU-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102835;MM102835;CC(F)(F)C=CCN;MFYGLEZDZLKDGN-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102836;MM102836;CC(F)(F)C=CCO;JEVHCOQKILGAOS-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102837;MM102837;CC(F)(F)C=CCF;BAAINEWAGHZMMT-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102838;MM102838;CCC=CC(F)(F)F;LTCNHAYYQPIMNJ-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102839;MM102839;OCC=CC(F)(F)F;UUTWQLLIVDODPQ-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102840;MM102840;FCC=CC(F)(F)F;AHVCRWLQBFGUKH-UHFFFAOYSA-N;128.07;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102841;MM102841;COC=CC(C)(C)C;SUWGYCDNYGAGKE-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102842;MM102842;COC=CC(C)(C)N;UYQPIPJHMXFDFO-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102843;MM102843;COC=CC(C)(C)O;MJQTVRQGOQXARH-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102844;MM102844;COC=CC(C)(C)F;RWIGOVKLFRQCCS-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102845;MM102845;COC=CC(C)(F)F;ODMWVDYHONZESP-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102846;MM102846;COC=CC(F)(F)F;BGHDVJGMEWAMPO-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102847;MM102847;CNN=CC(C)(C)C;GMBKZVGMPLOMDW-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102848;MM102848;CNN=CC(C)(C)F;PXANVOOGVYBEOB-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102849;MM102849;CON=CC(C)(C)C;LJDOWONNVUOBCM-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102850;MM102850;CON=CC(C)(C)F;DLLBIKMLAGPGJG-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102851;MM102851;CON=CC(C)(F)F;VFHMZGNTNXEUCF-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102852;MM102852;C=CC=CC(C)(C)C;YKCQGTKPNABNLF-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102853;MM102853;CC(C)(C)C=CC=O;JZJVARRPMMVFRQ-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102854;MM102854;CC(C)(C)C=CC#N;GCTNTYCHYKCHEK-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102855;MM102855;C=CC=CC(C)(C)N;HCVRHFNMRUNQMS-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102856;MM102856;CCN(N)C=NNC=O;CHLFGDKUNZXJQD-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102857;MM102857;CC(C)(O)C=CC=O;VGMBDVOQJZGSPT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102858;MM102858;C=CC=CC(C)(C)F;KCFJOBABAUYDDY-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102859;MM102859;CC(C)(F)C=CC=O;XBMQNMDYLBZMCP-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102860;MM102860;CC(C)(F)C=CC#N;KCQVMPBVKLWWIB-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102861;MM102861;C=CC=CC(C)(F)F;GXQVATJWUAOYQW-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102862;MM102862;CC(F)(F)C=CC=O;IDCFNRMQIFZTGV-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102863;MM102863;CC(F)(F)C=CC#N;NHZDUCXWHZPULY-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102864;MM102864;C=CC=CC(F)(F)F;QAKJJUWCWSVYHU-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102865;MM102865;O=CC=CC(F)(F)F;DSMJPTHORDDCAG-UHFFFAOYSA-N;124.06;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102866;MM102866;N#CC=CC(F)(F)F;LHWSEFCIRYVTLZ-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102867;MM102867;C=NN=CC(C)(C)C;NCCVBUZNNHVHAU-UHFFFAOYSA-N;112.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102868;MM102868;C=NN=CC(C)(C)O;MJMOTDLDPYLQIZ-UHFFFAOYSA-N;114.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102869;MM102869;C=NN=CC(C)(C)F;NDIJZUIPAIYEMY-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102870;MM102870;C=NN=CC(C)(F)F;CYLSUIGWTKUJBP-UHFFFAOYSA-N;120.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102871;MM102871;C=NN=CC(F)(F)F;JPZAUZWWPJVRNT-UHFFFAOYSA-N;124.07;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102872;MM102872;C#CC=CC(C)(C)C;HTRVREURCYRGAX-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102873;MM102873;C#CC=CC(C)(C)N;BLIWKSCMAJEYPV-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102874;MM102874;CC=C1NC(=N)C(=O)N1;ULBVHZXUWLNHOA-UHFFFAOYSA-N;125.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102875;MM102875;C#CC=CC(C)(C)F;UGJNTDAWRYPFNT-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102876;MM102876;C#CC=CC(C)(F)F;PUMIANKWGNAOOG-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102877;MM102877;C#CC=CC(F)(F)F;OZTHGRUMAIYPFT-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102878;MM102878;CCC#CC(C)(C)C;XYBFBXTUWDPXLK-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102879;MM102879;CC(C)(C)C#CCN;KZIPPJINJOKJRI-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102880;MM102880;CC(C)(C)C#CCO;NLLANJRMYBRPDY-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102881;MM102881;CC(C)(C)C#CCF;CTDOCJRUZWJFMK-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102882;MM102882;CCC#CC(C)(C)N;CMXRNFFDSRZWBO-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102883;MM102883;CC(C)(N)C#CCN;MNNQZHMDAVVKFR-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102884;MM102884;CC(C)(N)C#CCO;LDWOAZHMXBZUSE-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102885;MM102885;CC(C)(N)C#CCF;SAXWBZKGDGCPKP-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102886;MM102886;CCC#CC(C)(C)O;SPLYFWRRAFIWQH-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102887;MM102887;CC(C)(O)C#CCN;HALFHCWDINRNFH-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102888;MM102888;CC(C)(O)C#CCO;OVYWXUZVOLNCBE-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102889;MM102889;CC(C)(O)C#CCF;VQNUICFDBHIPPD-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102890;MM102890;CCC#CC(C)(C)F;LJHUNTUNAGWGGI-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102891;MM102891;CC(C)(F)C#CCN;SSPCKNWCAFXVRN-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102892;MM102892;CC(C)(F)C#CCO;SBCZCXNBZVUWCV-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102893;MM102893;CC(C)(F)C#CCF;HIVKGQACJWPOBJ-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102894;MM102894;CCC#CC(C)(F)F;ZKLZKAOYYUBSCB-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102895;MM102895;CC(F)(F)C#CCN;JGVMCWLNXFFAOC-UHFFFAOYSA-N;119.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102896;MM102896;CC(F)(F)C#CCO;GYAYATQWOVZRHA-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102897;MM102897;CC(F)(F)C#CCF;GNMDIBZZSWTIIF-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102898;MM102898;CCC#CC(F)(F)F;BEXUGLZZNUFVTK-UHFFFAOYSA-N;122.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102899;MM102899;FCC#CC(F)(F)F;LLGWFUZKTVNXJZ-UHFFFAOYSA-N;126.05;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102900;MM102900;C=CC#CC(C)(C)C;MNOBHGLBCJQCCA-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102901;MM102901;CC(C)(C)C#CC=O;DTMPOWDLMOYPDD-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102902;MM102902;C=CC#CC(C)(C)N;LFISFRSSRCFTCE-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102903;MM102903;C=CC#CC(C)(C)O;OYWGYGPXPDGOGH-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102904;MM102904;C=CC#CC(C)(C)F;BYBXCDNMHIZWQG-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102905;MM102905;CC(C)(F)C#CC=O;GOBWVPPWCUIPST-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102906;MM102906;CC(C)(F)C#CC#N;CTWRWSGMBBRNGJ-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102907;MM102907;C=CC#CC(C)(F)F;WWZIXWQWURQLPQ-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102908;MM102908;CC(F)(F)C#CC#N;HTARPINWGOCTBU-UHFFFAOYSA-N;115.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102909;MM102909;C=CC#CC(F)(F)F;KLHIZNZOLJMHQW-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102910;MM102910;O=CC#CC(F)(F)F;SZEQIMMENJJTNR-UHFFFAOYSA-N;122.05;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102911;MM102911;N#CC#CC(F)(F)F;YZNFAKUUGQFZOK-UHFFFAOYSA-N;119.05;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102912;MM102912;C#CC#CC(C)(C)C;LSJCWPBCVBKIHJ-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102913;MM102913;C#CC#CC(C)(C)N;BCXIKZGRPNXNIB-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102914;MM102914;C#CC#CC(C)(C)O;FZKZKWGVQDXGQY-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102915;MM102915;C#CC#CC(C)(C)F;MFHKOJQGFGFEEK-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102916;MM102916;C#CC#CC(C)(F)F;WCGHRANJSLTINO-UHFFFAOYSA-N;114.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102917;MM102917;C#CC#CC(F)(F)F;KQLBEAFBNYXNBM-UHFFFAOYSA-N;118.06;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102918;MM102918;CCCC(C)(C)CC;KUMXLFIBWFCMOJ-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102919;MM102919;CCC(C)(C)CCN;VJYYSQMXJLHCDL-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102920;MM102920;CC(=O)NC(=N)N=CNN;SVFOUIIFXNYABN-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102921;MM102921;CCC(C)(C)CCF;PBMVJLKZXYXAOV-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102922;MM102922;CCCC(C)(C)CN;ZPRFOBABMGYPIP-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102923;MM102923;N=CNC(=O)NC(=N)CF;ZCCUMCMOQWRDSG-UHFFFAOYSA-N;146.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102924;MM102924;CC(C)(CO)CCF;PKNNFGWWCWCKJX-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102925;MM102925;CCCC(C)(C)CF;IUMINPQMRUAXGA-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102926;MM102926;CC(C)(CF)CCO;SJWGOLMOIPIFPC-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102927;MM102927;CC(C)(CF)CCF;JSOOKPPJNHLKHN-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102928;MM102928;CCCC(C)(N)CC;HGNVEXMJZVUWJO-UHFFFAOYSA-N;115.22;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102929;MM102929;CCC(C)(N)CCF;LXPRYLLKHUTJOB-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102930;MM102930;CC(N)(CN)CCN;SNLIHQONZJMESQ-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102931;MM102931;CC(N)(CN)CCO;IRBJKNWVWJJJMH-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102932;MM102932;CC(N)(CO)CCN;DTLCKVUFSAJSJM-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102933;MM102933;CC(N)(CO)CCO;CYANGXSDERFYLF-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102934;MM102934;CCCC(C)(N)CF;LYJHLBOMSOCJMF-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102935;MM102935;CC(N)(CF)CCN;LNLZZKGHTFJNDA-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102936;MM102936;CCCN(N)C=NNC=O;FPNBMWAHTOWUAI-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102937;MM102937;CCC(C)(O)CCO;HIYKOZFIVZIBFO-UHFFFAOYSA-N;118.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102938;MM102938;CCC(C)(O)CCF;ZFPUSOKTLUTLPT-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102939;MM102939;CC(O)(CN)CCN;HNEILWRWYFADSJ-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102940;MM102940;CC(O)(CN)CCO;MATKLUHGBONBCQ-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102941;MM102941;CCCC(C)(O)CF;MXXBYVFJPBVBHW-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102942;MM102942;CC(O)(CF)CCN;UAJKFUDPOUYIHZ-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102943;MM102943;CCCC(C)(F)CC;DLAMNRWFMPVTLS-UHFFFAOYSA-N;118.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102944;MM102944;CCC(C)(F)CCO;DUVVLMMTTVKUEZ-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102945;MM102945;CCC(C)(F)CCF;YTSAKGSIRCAGIW-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102946;MM102946;CC(F)(CN)CCN;XRJMJLFNHZCOGY-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102947;MM102947;CC(F)(CN)CCO;KDNDKTGMJZYZSR-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102948;MM102948;CCCC(C)(F)CO;UCLKDKHIDQBUJE-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102949;MM102949;CC(F)(CO)CCN;XVUANGRGRPDZHK-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102950;MM102950;CCCC(C)(F)CF;ZLNWNGCODPVBDX-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102951;MM102951;CC(F)(CF)CCF;ZQSIDTMXUYLUNQ-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102952;MM102952;CCC(F)(F)CCN;RLXIOYLAADBLTI-UHFFFAOYSA-N;123.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102953;MM102953;CCC(F)(F)CCO;QVCDXFJGNUGCER-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102954;MM102954;CCC(F)(F)CCF;GNQKIEHVROUVRW-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102955;MM102955;NCCC(F)(F)CN;MTNQZXALCORBMF-UHFFFAOYSA-N;124.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102956;MM102956;NCCC(F)(F)CO;OIMDQPJKQOQSPO-UHFFFAOYSA-N;125.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102957;MM102957;CCCC(F)(F)CF;KWSLWOQACXWFTO-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102958;MM102958;FCCC(F)(F)CF;CJZDURXVZXJCPX-UHFFFAOYSA-N;130.08;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102959;MM102959;CCC(C)(C)CNC;LCJDNEVGGJPKQV-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102960;MM102960;CNCC(C)(C)CO;ZCCHIQJONBEULF-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102961;MM102961;CNCC(C)(C)CF;GGUMDFYFKCUKHT-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102962;MM102962;CNCC(C)(N)CN;MLHLXRVYAXYYLU-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102963;MM102963;CNCC(C)(N)CO;GKDOCYNMUKGZHT-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102964;MM102964;CNCC(C)(N)CF;BEMYDAAQCKUENQ-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102965;MM102965;CNCC(C)(O)CN;YUDLPSOTMFWUMY-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102966;MM102966;CNCC(C)(F)CN;LMKJBEXITQZRJZ-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102967;MM102967;CCC(C)(C)COC;FPNNLQKNRVKKSV-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102968;MM102968;COCC(C)(C)CF;KEJLNQXAUNCINH-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102969;MM102969;CCC(C)(N)COC;XXELXLVUXCNLEJ-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102970;MM102970;COCC(C)(N)CN;CYHVALFTSWLECK-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102971;MM102971;COCC(C)(N)CO;XMBFYOWTPIQTEV-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102972;MM102972;CCC(C)(O)COC;DNZJBKSXLSDWCX-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102973;MM102973;COCC(C)(O)CN;XADTUXGTPMQVJD-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102974;MM102974;CCC(C)(F)COC;CSZDRRWBEGYFQA-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102975;MM102975;CCCC(C)(C)NC;DLENCMXKIVVVFS-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102976;MM102976;CNCC(C)(C)NC;HCFJTTNNAWMEDU-UHFFFAOYSA-N;116.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102977;MM102977;CCCC(C)(C)OC;WYLQOLGJMFRRLX-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102978;MM102978;COC(C)(C)CCF;HYRHBBGINWCDDI-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102979;MM102979;CCNC(C)(C)CC;XFNDIVLWLWFLGD-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102980;MM102980;CCNC(C)(C)CN;KVQRNNQSMGHIEW-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102981;MM102981;CCNC(C)(C)CF;RQDJPTMOUAWZSC-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102982;MM102982;CCOC(C)(C)CC;KFRVYYGHSPLXSZ-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102983;MM102983;CCOC(C)(C)CN;HAFKEKWSUKEWIN-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102984;MM102984;CCOC(C)(C)CF;LQICZTQBMXOETM-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102985;MM102985;C=CCC(C)(C)CC;SUJVAMIXNUAJEY-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102986;MM102986;CCC(C)(C)CC=O;HPKCSWORDUPIJS-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102987;MM102987;CCC(C)(C)CC#N;ZRBLVTMNOAUKIX-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102988;MM102988;C=CCC(C)(C)CN;BTTIKHRJTKRJFR-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102989;MM102989;NN(C=NNC=O)CCO;AXZUYKLRKYECPC-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102990;MM102990;CC(C)(CO)CC=O;VOISQCUJWIZDHK-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102991;MM102991;C=CCC(C)(C)CF;VKCWEYVDQSRVAU-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102992;MM102992;CC(C)(CF)CC#N;NZHWLBRETQXGST-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102993;MM102993;C=CCC(C)(N)CC;MYDLAVWPQOFXPA-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102994;MM102994;C=CCC(C)(N)CF;IFSUNKPKSBZAOG-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102995;MM102995;C=NOC(=NO)NNCC;RABFTYPYDRIOJA-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102996;MM102996;CCC(C)(O)CC=O;HKXRCBUXVFAKDA-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102997;MM102997;C=CCC(C)(O)CF;SGVULHDFZHZAAP-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102998;MM102998;CC(O)(CF)CC=O;FWHRFVPVZDJVSM-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM102999;MM102999;C=CCC(C)(F)CC;GAHJQFYJCAXSGY-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103000;MM103000;CCC(C)(F)CC#N;BGUNPZRZVQILEQ-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103001;MM103001;C=CCC(C)(F)CO;HRKKAELLLQHPEL-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103002;MM103002;CC(F)(CO)CC=O;FBVCRJPFEQXOOR-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103003;MM103003;C=CCC(C)(F)CF;LTEMSBBDLBLMSN-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103004;MM103004;CC(F)(CF)CC=O;ORVBPAZZSIOMAR-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103005;MM103005;C=CCC(F)(F)CC;UROBBMDRWGYZON-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103006;MM103006;CCC(F)(F)CC#N;XXJBBQIJJXUORD-UHFFFAOYSA-N;119.11;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103007;MM103007;C=CCC(F)(F)CF;ZUYFINYHVLUVQM-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103008;MM103008;C=CCC(C)(C)NC;NLOZXHULKWFGPS-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103009;MM103009;C=CCC(C)(C)OC;YYCOTHWDEPIJTK-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103010;MM103010;COC(C)(C)CC=O;JEERAMZIKOLMNQ-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103011;MM103011;CCC(C)(C)NC=N;PHHNHYAQEGNGSS-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103012;MM103012;CC(C)(CN)NC=N;MJWSJXSOMFRTCK-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103013;MM103013;CC(C)(CN)NC=O;LQJTZFNBWPDVLG-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103014;MM103014;CC(C)(CO)NC=N;YGGNOSUYPLPYEX-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103015;MM103015;CC(C)(CF)NC=N;ODKSVYYLTHQIPS-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103016;MM103016;C=COC(C)(C)CC;CYADZXMTKIHVMV-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103017;MM103017;CCC(C)(C)OC=O;SVZIJXUUTNJSEJ-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103018;MM103018;C=COC(C)(C)CN;AAQJKGJZPHRGGQ-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103019;MM103019;CC(C)(CN)OC=O;GOXPSGTXTWQSQL-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103020;MM103020;C=COC(C)(C)CF;CXAKHXFQPDOCCJ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103021;MM103021;CC(C)(CF)OC=O;WDMGBTGJWNSPFF-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103022;MM103022;C=NOC(C)(C)CC;GFMBHLSADJCXLO-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103023;MM103023;C=NOC(C)(C)CF;BHNRVEQRPJESOE-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103024;MM103024;C#CCC(C)(C)CC;NGPYJCZSRIALNR-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103025;MM103025;C#CCC(C)(C)CN;YELQCLBHDJTVOT-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103026;MM103026;NC=CC1=NOC(=NO)C1;UQJXMOCLMZZZEF-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103027;MM103027;C#CCC(C)(C)CF;OZUMJMBKXLMXIZ-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103028;MM103028;C#CCC(C)(N)CC;MNMVRMMNJAXQFG-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103029;MM103029;C#CCC(C)(N)CN;ASVPPIHJRVMZOQ-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103030;MM103030;C#CCC(C)(N)CF;MMRRELRMPJNPRB-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103031;MM103031;N=Nc1c[nH]c(C=CN)n1;BZVCKFZOUSIQBG-UHFFFAOYSA-N;137.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103032;MM103032;C#CCC(C)(O)CF;GXWYKZYWTWXYBI-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103033;MM103033;C#CCC(C)(F)CC;ZPBDCYSWOOZSJI-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103034;MM103034;C#CCC(C)(F)CN;HJOVEMTWUAJYCI-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103035;MM103035;C#CCC(C)(F)CO;MZPNIALZHPSGCP-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103036;MM103036;C#CCC(F)(F)CC;CWEDSNWOLPVBPZ-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103037;MM103037;C#CCC(F)(F)CF;IELXWBWAYAVBLC-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103038;MM103038;C#CCC(C)(C)NC;ZNAZDJNRZOWENV-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103039;MM103039;C#CCC(C)(C)OC;IXQRAPXONRFUSX-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103040;MM103040;C=CC(C)(C)CCC;RXYYKIMRVXDSFR-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103041;MM103041;C=CC(C)(C)CCN;MTFPAOSXBHFYGH-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103042;MM103042;CN=C1NOC(=NO)CO1;PLALNIFXPRCQDT-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103043;MM103043;C=CC(C)(C)CCF;OTAYGIPSBZAKET-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103044;MM103044;CCCC(C)(C)C=O;YMXAGOUPXPGFLB-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103045;MM103045;CCCC(C)(C)C#N;TZJQCUDHKUWEFU-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103046;MM103046;CC(C)(C#N)CCO;UWJKJTAFQCZBLA-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103047;MM103047;CC(C)(C=O)CCF;KQVDEIAXXPGZJW-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103048;MM103048;C=CC(C)(N)CCC;OLSVYSRUBPCJQA-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103049;MM103049;NC(CC(=O)CO)=NO;MIGNHSAZRQWNQP-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103050;MM103050;CC(O)(C=O)CCO;KJLUILOCNALPNM-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103051;MM103051;CC(O)(C#N)CCO;OXCNSHZHZPOSKT-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103052;MM103052;CC(O)(C=O)CCF;RUBKHFGBAYOGLS-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103053;MM103053;C=CC(C)(F)CCC;APJDMQVSFYZYLG-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103054;MM103054;C=CC(C)(F)CCO;FAGGSQRVIFDFJL-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103055;MM103055;C=CC(C)(F)CCF;JYLFLQFVLVAWBB-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103056;MM103056;CCCC(C)(F)C=O;CCLFIBGOZVZHDD-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103057;MM103057;CC(F)(C=O)CCF;QPLNUCKFEKEAJR-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103058;MM103058;CC(F)(C#N)CCF;PDBWQOBARINEFR-UHFFFAOYSA-N;119.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103059;MM103059;C=CC(F)(F)CCC;AJIILBAOLXOBRX-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103060;MM103060;C=CC(F)(F)CCN;KTTPPPHOQQFGSL-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103061;MM103061;C=CC(F)(F)CCF;VOOYCLXUJXMZOU-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103062;MM103062;CCCC(F)(F)C=O;GWGMPZJEQYNFHE-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103063;MM103063;CNCC(C)(O)C=O;CDZPWGTVBHVGLM-UHFFFAOYSA-N;117.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103064;MM103064;CNCC(F)(F)C#N;SAMWXJGSDUQRJV-UHFFFAOYSA-N;120.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103065;MM103065;C=CC(C)(C)COC;FDIASBBDCMJZGX-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103066;MM103066;COCC(C)(O)C=O;BUOZAYXXTSLTHC-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103067;MM103067;C=CC(C)(F)COC;MRXQGPMNMJQFJV-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103068;MM103068;C=CC(C)(C)NCC;RQNCICFAUDCELF-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103069;MM103069;CCNC(C)(C)C=O;MEXBTRXHQWCCBX-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103070;MM103070;C=CC(C)(C)OCC;ZZKVKKJYPYTFHL-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103071;MM103071;C=CCC(C)(C)C=C;OWRACTVEYJLPRK-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103072;MM103072;C=CC(C)(C)CC#N;ZGYHUIZXDWOBIP-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103073;MM103073;C=CCC(C)(C)C=O;DXSDIWHOOOBQTJ-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103074;MM103074;C=CCC(C)(C)C#N;UQLOUBYNTMVSKF-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103075;MM103075;CC(C)(C=O)CC=O;FAPGBNMXFSUCGA-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103076;MM103076;CC(C)(C#N)CC=O;LZDOLLMSOPKBIE-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103077;MM103077;CC(C)(C#N)CC#N;XLGGGDFEPZVRLJ-UHFFFAOYSA-N;108.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103078;MM103078;C=CCC(C)(N)C=C;TUOPNAXQWLNFFH-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103079;MM103079;C=C1NC(=O)C(=N)N1C;KORXOYUUDALFOK-UHFFFAOYSA-N;125.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103080;MM103080;C=CCC(C)(O)C#N;QYUXCCLIBGHAHL-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103081;MM103081;C=CCC(C)(F)C=C;ADEJDXYGDPILFS-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103082;MM103082;C=CC(C)(F)CC#N;RBQRQRKUSKTQLA-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103083;MM103083;C=CCC(C)(F)C=O;QMHJDPAATOOKQB-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103084;MM103084;C=CCC(C)(F)C#N;IXSQADHFIKZMKI-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103085;MM103085;C=CCC(F)(F)C=C;BLVOBZFNCGXQNY-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103086;MM103086;C=CC(F)(F)CC=O;QBAPPNQSNMRPDW-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103087;MM103087;C=CC(F)(F)CC#N;PADNNFNHJAVTJG-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103088;MM103088;N#CC(F)(F)CC=O;VKMWSMMFSUXXSU-UHFFFAOYSA-N;119.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103089;MM103089;C=CC(C)(C)NC=N;IFQXIFLQMNPDJW-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103090;MM103090;C=CC(=O)NN=CN(C)C;SJICILDKDULSIB-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103091;MM103091;CC(C)(C=O)N=CN;GSNLLCMFXYZHLF-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103092;MM103092;C=CC(C)(C)NN=C;MJLIQGHNICXKPL-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103093;MM103093;C=COC(C)(C)C=C;VKSMYXVSDYUVIJ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103094;MM103094;C=CC(C)(C)OC=O;DFTMTUFWJJSOSY-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103095;MM103095;C=COC(C)(C)C=O;YYVBQXMQQVVBHA-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103096;MM103096;C=COC(C)(C)C#N;HPXIQJYMHZERIB-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103097;MM103097;CC(C)(C#N)OC=O;DLHJHCJXXVSGKN-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103098;MM103098;C=CC(C)(C)ON=C;LURPICGWIILCPX-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103099;MM103099;C=NOC(C)(C)C=O;AKBSDCZZWNNWHY-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103100;MM103100;C=NOC(C)(C)C#N;XAOFPJSQDULHDE-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103101;MM103101;C#CCC(C)(C)C=C;YLRVHYCFJZZIJM-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103102;MM103102;C#CCC(C)(C)C=O;MKSBKFZQVAGEJT-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103103;MM103103;C#CCC(C)(C)C#N;BHXXUVXXVAKHSI-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103104;MM103104;C#CCC(C)(N)C=C;LFBYTNGCXRHFFZ-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103105;MM103105;C#CC(=NO)C(C)=C(N)N;PNWCWHCIGBYVBK-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103106;MM103106;C#CCC(C)(F)C=C;WJLNZJZGTBMRSL-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103107;MM103107;C#CCC(C)(F)C#N;UOTQYXYDRYDPJN-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103108;MM103108;C#CCC(F)(F)C=C;KIYWLSAHJBONKP-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103109;MM103109;C#CC(C)(C)CCC;MLRORDXAZGLTKK-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103110;MM103110;C#CC(C)(C)CCN;HQQFKHQPMDTWRO-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103111;MM103111;CC1N=C(NN)NC1=O;QMYITWIXFDYSNT-UHFFFAOYSA-N;128.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103112;MM103112;C#CC(C)(C)CCF;RBYRGSBSQIYKGV-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103113;MM103113;C#CC(C)(N)CCC;PHTVRAHTJPPFSD-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103114;MM103114;C#CC(C)(N)CCN;IRSPTGMJVFXHLR-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103115;MM103115;C#CC(C)(O)CCC;DTGUZRPEDLHAAO-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103116;MM103116;C#CC(C)(O)CCO;GGQYQDHVPNLDSQ-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103117;MM103117;C#CC(C)(F)CCC;KRCZKEHKFCMOMR-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103118;MM103118;C#CC(C)(F)CCO;LELMBMMKBDQHFC-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103119;MM103119;C#CC(C)(F)CCF;NQFJDIQGRMTWAU-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103120;MM103120;C#CC(F)(F)CCO;HQAWWQLWGKOMJX-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103121;MM103121;C#CC(C)(C)CNC;ALGVRTLUCYFRCF-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103122;MM103122;C#CC(C)(N)CNC;LDTFSYJPIGWQBQ-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103123;MM103123;C#CC(C)(O)CNC;XRUOQMMRCNFMDW-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103124;MM103124;C#CC(C)(C)COC;FMBSFOQHDSGOIT-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103125;MM103125;C#CC(C)(F)COC;GYFXNZYRJHURMQ-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103126;MM103126;C#CC(C)(C)NCC;PTAKYPIMFHIKST-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103127;MM103127;C#CC(C)(C)OCC;POVUIQJVPNHKOS-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103128;MM103128;C#CC(C)(C)CC=C;LHMXEQWWWWUHEZ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103129;MM103129;C#CC(C)(C)CC#N;JFMHNURAFVZWIO-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103130;MM103130;C#CC(C)(N)CC=C;HXXZWPXIEPJOBW-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103131;MM103131;C#CC(C)(O)CC=C;DOYFGIYMDSWCKM-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103132;MM103132;C#CC(C)(F)CC=C;UOFOGEGEOPMVPW-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103133;MM103133;C#CC(C)(F)CC#N;AYJFOZYSNYSLHU-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103134;MM103134;C#CC(F)(F)CC=C;SGKALUHRDZSOJH-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103135;MM103135;C#CC(C)(C)NC=N;MUBJVMDNRAWLNZ-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103136;MM103136;C#CC(C)(C)NC=O;IVRVGHLIUZFXST-UHFFFAOYSA-N;111.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103137;MM103137;C#CC(C)(C)OC=C;BQRFLABCVIVMDS-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103138;MM103138;C#CC(C)(C)OC=O;UTSXXPFPUAYVCW-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103139;MM103139;C#CC(C)(C)ON=C;NTYQEYPZFNOSOK-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103140;MM103140;C#CCC(C)(C)C#C;QPSYNLCGTBFREI-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103141;MM103141;C#CCC(C)(F)C#C;PTZHEDRJFIFQHF-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103142;MM103142;C#CCC(F)(F)C#C;MHKANIOLXDXLEX-UHFFFAOYSA-N;114.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103143;MM103143;CC=CC(C)(C)CC;OQEVAISXHCRQGF-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103144;MM103144;CCC(C)(C)C=CF;KPYRSBAHIKHCJX-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103145;MM103145;CC=CC(C)(C)CN;BZUCXFUCSDECFX-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103146;MM103146;COC(=N)NC=NNC=O;MFCLVJSBVFKGHX-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103147;MM103147;CC(C)(C=CF)CO;TXZHIZYWNQJROC-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103148;MM103148;CC=CC(C)(C)CF;PLRXDLGARQPNEH-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103149;MM103149;CC(C)(C=CF)CF;XXAVHFOEQXUFFG-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103150;MM103150;CC=CC(C)(N)CC;WWHOJORODJODLO-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103151;MM103151;CCC(C)(N)C=CF;JMWICPMYUDQHFL-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103152;MM103152;CC=CC(C)(N)CN;KJCANBIKMFMEEI-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103153;MM103153;CC=CC(C)(N)CF;YLPTZWLBVAXKJC-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103154;MM103154;CC(N)(C=CF)CF;SKUNEAVKJFRIGQ-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103155;MM103155;Cc1c(N)c(N)n[nH]c1=O;KVTVCQGMSMUNCO-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103156;MM103156;CCC(C)(O)C=CF;PQLHEESIFZRDNO-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103157;MM103157;CC(O)(C=CF)CF;VHQQOVPDTKYPPT-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103158;MM103158;CC=CC(C)(F)CC;KXJUDRHZLILSRM-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103159;MM103159;CCC(C)(F)C=CF;MYBZNSGMFVNYHH-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103160;MM103160;CC=CC(C)(F)CN;QBOFHKFZGXQVKX-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103161;MM103161;CC(F)(C=CF)CN;MAUZUGVGLNPGHW-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103162;MM103162;CC(F)(C=CF)CO;ZVDASFYORXAFCV-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103163;MM103163;CC(F)(C=CF)CF;DTBKKRDQRCHRII-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103164;MM103164;CC=CC(F)(F)CC;MYLMFWTVZWAEBS-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103165;MM103165;OCC(F)(F)C=CF;YATJCBWEFABIIO-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103166;MM103166;CCC(C)(C)C=NN;OMLWNMLIDZBQSY-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103167;MM103167;CCC(C)(C)C=NO;HFYMMOQUDYYXEQ-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103168;MM103168;CC(C)(C=NN)CF;ONDHVUDZLXPTIB-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103169;MM103169;CC(C)(C=NO)CF;OJLIQDGNMFUGTJ-UHFFFAOYSA-N;119.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103170;MM103170;CC(N)(C=NO)CN;MMZJJPFYSVCKTM-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103171;MM103171;CCC(C)(F)C=NN;URAHXKYWYCPFFU-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103172;MM103172;CC(F)(C=NN)CF;YAGPLDJSNDGGOY-UHFFFAOYSA-N;122.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103173;MM103173;CNc1coc(O)c1F;FRMUNMSXGISDAO-UHFFFAOYSA-N;131.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103174;MM103174;CCC(F)(F)C=NN;ZLHAJUYIGRAPQS-UHFFFAOYSA-N;122.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103175;MM103175;CC=CC(C)(C)NC;BVOOIHCNRNRBNW-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103176;MM103176;CNC(C)(C)C=CF;KDQSUEQNSAIQKX-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103177;MM103177;CC=CC(C)(C)OC;ZCOWXHQFNHSUIX-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103178;MM103178;COC(C)(C)C=CF;XSLMOHFLPUZHSH-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103179;MM103179;C=CC(C)(C)C=CC;VDJLOAKRIFOVOK-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103180;MM103180;C=CC(C)(C)C=CF;NBABKYIQLHDYDO-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103181;MM103181;CC=CC(C)(C)C=O;OKGULGQFUPKZGN-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103182;MM103182;CC=CC(C)(C)C#N;SAQGMUUCSOJQMG-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103183;MM103183;CC(C)(C=O)C=CF;QLGFOJFFFSYSRE-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103184;MM103184;CC(C)(C#N)C=CF;GSOZPMQBUPVLMW-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103185;MM103185;C=CC(C)(N)C=CC;CQMWERBTLGKRPR-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103186;MM103186;N=Cn1nc2nncc-2[nH]1;UGBDBWXMCRZKHJ-UHFFFAOYSA-N;136.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103187;MM103187;C=CC(C)(O)C=CF;DJTWQAUDNZLIJG-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103188;MM103188;CC=CC(C)(O)C=O;YMYLHZOFZURXAQ-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103189;MM103189;C=CC(C)(F)C=CC;IQMFHYILKYNBCE-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103190;MM103190;C=CC(C)(F)C=CF;QJLILNYFIQGRJK-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103191;MM103191;CC=CC(C)(F)C=O;HSRGVCBFYGPEDP-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103192;MM103192;CC=CC(C)(F)C#N;BXZIQSNMRLBMOG-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103193;MM103193;CC(F)(C=O)C=CF;ZLOWHHGFVHFRHN-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103194;MM103194;CC(F)(C#N)C=CF;CCTCBBJNLNQQMQ-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103195;MM103195;C=CC(C)(C)C=NN;USPIWMBUORHRHE-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103196;MM103196;C=CC(C)(C)C=NO;PBIPXDKGRPLVSJ-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103197;MM103197;CNc1cc(=O)n(O)n1O;HMARATJTRMGTIY-UHFFFAOYSA-N;145.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103198;MM103198;C=CC(C)(F)C=NN;FNSQACDXGBGVJK-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103199;MM103199;C=CC(F)(F)C=NN;CWAPVNZEROKDMQ-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103200;MM103200;C#CCN=c1[nH]c(=O)[nH]o1;URBMTYJJYSCJCX-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103201;MM103201;C#CC(C)(C)C=CC;KNJGJFOZFZSJAH-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103202;MM103202;C#CC(C)(C)C=CF;TXKTWTNMTIHYRP-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103203;MM103203;C#CC(C)(N)C=CC;LXHXAKKTWOZKEI-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103204;MM103204;C#CC(C)(N)C=CF;YLKVPKKQGXJQRK-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103205;MM103205;C#CC(C)(O)C=CC;DUYXRQMPJFPEKA-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103206;MM103206;C#CC(C)(F)C=CC;UZQKCDJCZYAUAU-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103207;MM103207;C#CC(C)(F)C=CF;QKIYPMKXTGZDRN-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103208;MM103208;C#CC(C)(C)C=NN;LBQMZJVWRQSLNF-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103209;MM103209;C#CC(C)(C)C=NO;YHCQTHVBPYWFLJ-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103210;MM103210;C#CC(C)(F)C=NN;LVKPGZIBEGEWAO-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103211;MM103211;COc1nc(N=O)c[nH]1;WPKRNTXZVGEWPB-UHFFFAOYSA-N;127.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103212;MM103212;CC#CC(C)(C)CC;DYXMSZQNXBAGJT-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103213;MM103213;NC=Cc1c[nH]c(=O)[nH]1;YBSIQLYJLYZKBD-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103214;MM103214;CC#CC(C)(C)CF;KJOZQWWHVPTZIY-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103215;MM103215;CC#CC(C)(N)CC;HEWKAUFLVAJYJR-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103216;MM103216;CC#CC(C)(O)CC;VLRDHNINMBNPDK-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103217;MM103217;CC#CC(C)(O)CO;GRWBMJHEMSBKFR-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103218;MM103218;CC#CC(C)(O)CF;FTHHOCAKZLNZFS-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103219;MM103219;CC#CC(C)(F)CC;YJGVRCLJBJWYNI-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103220;MM103220;CC#CC(C)(F)CF;ULTQALBRTVJSIL-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103221;MM103221;CC#CC(F)(F)CC;FOFYCFZERYRCSJ-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103222;MM103222;CC#CC(F)(F)CO;UMEXWWPVDXQNCC-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103223;MM103223;CC#CC(C)(C)NC;LJZYDZVQDVEVHN-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103224;MM103224;CC#CC(C)(C)OC;OWIHGBPMYWUJCG-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103225;MM103225;C=CC(C)(C)C#CC;OOIYFUSUCDHBPB-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103226;MM103226;CC#CC(C)(C)C=O;KEVXAUDWMKAPQO-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103227;MM103227;CC#CC(C)(C)C#N;IKNXGJRFZZDLNR-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103228;MM103228;C=CC(C)(N)C#CC;ASEJXEYZJKQYFF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103229;MM103229;C=CC(C)(O)C#CC;NVLDYXOZLGBYRX-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103230;MM103230;C=CC(C)(F)C#CC;RSVNGUFAZFRPSH-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103231;MM103231;CC#CC(C)(F)C=O;VFOCITQZXBLUOX-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103232;MM103232;CC#CC(C)(F)C#N;YISNMTDLOBRAHF-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103233;MM103233;C=CC(F)(F)C#CC;NAOWKBHKYRILMN-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103234;MM103234;CC#CC(F)(F)C=O;ZIYFYXVJZKJWME-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103235;MM103235;CC#CC(F)(F)C#N;XQGNQWPOMOSNHI-UHFFFAOYSA-N;115.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103236;MM103236;C#CC(C)(F)C#CC;FGWGJXALBODXHJ-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103237;MM103237;C#CC(F)(F)C#CC;WFDLFCCUUVDOHX-UHFFFAOYSA-N;114.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103238;MM103238;CCC(C)(C)C(C)C;OKVWYBALHQFVFP-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103239;MM103239;N#CC(O)C(=N)NC=NO;DJUFYVFCBJMNTP-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103240;MM103240;CC(C)C(C)(C)CF;XFCGTIPBYVDXLV-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103241;MM103241;CCC(C)(C)C(C)N;RNZOJMNUJVGQKF-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103242;MM103242;CC(N)C(C)(C)CF;TUWKUAXFFPLWDE-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103243;MM103243;CC(O)C(C)(C)CF;CSGMTQISQMECKY-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103244;MM103244;CC(F)C(C)(C)CF;FLZYEVNHKBRDNG-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103245;MM103245;CCC(C)(C)C(F)F;KULINAZLBQSFPO-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103246;MM103246;CC(C)(CN)C(F)F;KFTRZSWLGIQXDK-UHFFFAOYSA-N;123.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103247;MM103247;CC(C)(CF)C(F)F;TYMRBWBWODHLGU-UHFFFAOYSA-N;126.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103248;MM103248;CCC(C)(N)C(C)C;LZOPUSYIUDCHIT-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103249;MM103249;CC(C)C(C)(N)CF;UNTBYLRFEAROHG-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103250;MM103250;CC(N)C(C)(N)CO;AKQDVWXFBUIHJP-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103251;MM103251;CC(O)C(C)(N)CO;XMJVTNKYRSVJAO-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103252;MM103252;CCC(C)(N)C(C)F;DABREIISSYWHHI-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103253;MM103253;CC(F)C(C)(N)CN;JICNEYHEYYIIDG-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103254;MM103254;CC(C)C(C)(O)CF;GJUCEPWSOMEEKT-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103255;MM103255;CC(O)C(C)(O)CN;CNLUNMTZBAHKFI-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103256;MM103256;CC(O)C(C)(O)CF;SEPGOTYVTZUGGL-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103257;MM103257;CC(F)C(C)(O)CF;UGZAGAQJLTXIOJ-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103258;MM103258;CCC(C)(O)C(F)F;LBEMCFFBQXJPED-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103259;MM103259;CC(C)C(C)(F)CN;WVCOJJNRLKUVIO-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103260;MM103260;CC(C)C(C)(F)CF;YNYFQJQMAOJKIK-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103261;MM103261;CC(N)C(C)(F)CF;BPBHUUHLFYIRDV-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103262;MM103262;CC(O)C(C)(F)CF;YQBBXVRFQZXMQR-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103263;MM103263;CC(F)C(C)(F)CN;OXHAKCUNZNDOSH-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103264;MM103264;CC(F)C(C)(F)CF;NWFWWAGQQCKXCT-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103265;MM103265;CC(F)(CN)C(F)F;SZVPFCBITFASKT-UHFFFAOYSA-N;127.11;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103266;MM103266;CCC(F)(F)C(C)C;PNVZMEYAAQSSCI-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103267;MM103267;CC(C)C(F)(F)CF;IVXQJJGISUGWQN-UHFFFAOYSA-N;126.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103268;MM103268;CC(F)C(F)(F)CO;CKVFZWWPRYVFDV-UHFFFAOYSA-N;128.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103269;MM103269;CNC(C)(C)C(C)F;AQLAUWLXPMBDHK-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103270;MM103270;COC(C)(C)C(C)C;CQORYVKHJKAITO-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103271;MM103271;COC(C)(C)C(C)F;QVKREZNHBYEGJO-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103272;MM103272;CCC(C)(C)N(C)C;CUHMMDPUXJFCNB-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103273;MM103273;C=CC(C)(C)C(C)C;LLFHCOGPDCJMKY-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103274;MM103274;CC(C)C(C)(C)C=O;PRFUJBMOTAXNJV-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103275;MM103275;CC(C)C(C)(C)C#N;OOJGIODFNBVSRF-UHFFFAOYSA-N;111.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103276;MM103276;C=CC(C)(C)C(C)N;UIRNZECMBJFLBL-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103277;MM103277;NNC(N=CNC=O)=NO;VOZAGZYOQWCTEH-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103278;MM103278;C=CC(C)(C)C(C)F;ZYHSYDFVBJTVSH-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103279;MM103279;CC(F)C(C)(C)C=O;MGDPBWHLUSJUCN-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103280;MM103280;CC(F)C(C)(C)C#N;URBGCLGFKPKQQX-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103281;MM103281;C=CC(C)(C)C(F)F;AORHKLZZILVKFT-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103282;MM103282;CC(C)(C=O)C(F)F;WVEOZPUYGLCVIR-UHFFFAOYSA-N;122.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103283;MM103283;CC(C)(C#N)C(F)F;KCKYBQZUHPXLRY-UHFFFAOYSA-N;119.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103284;MM103284;CC(F)C(C)(O)C#N;UGYARPQNVBAUPJ-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103285;MM103285;C=CC(C)(F)C(C)C;QDRDGFLGLNXDSI-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103286;MM103286;CC(C)C(C)(F)C=O;DHBYECYVDSCGBZ-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103287;MM103287;CC(C)C(C)(F)C#N;IZSYFRSAFPDMPF-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103288;MM103288;C=CC(C)(F)C(C)N;OXVKHNZYBAVQKG-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103289;MM103289;CC(O)C(C)(F)C=O;OKCGJVWHVLMPSF-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103290;MM103290;CC(F)C(C)(F)C#N;WYTWBNLLKJAPQS-UHFFFAOYSA-N;119.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103291;MM103291;CC(O)C(F)(F)C#N;QYEORNBWWCXYMH-UHFFFAOYSA-N;121.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103292;MM103292;O=CC(F)(F)C(F)F;NPALSCWRCKJVLK-UHFFFAOYSA-N;130.04;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103293;MM103293;N#CC(F)(F)C(F)F;PIORIRQBACOORT-UHFFFAOYSA-N;127.04;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103294;MM103294;C=CC(C)(C)N(C)C;GCAUKPWWHSRWEG-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103295;MM103295;CN(C)C(C)(C)C#N;RIDGSEGTBIWFTK-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103296;MM103296;C#CC(C)(C)C(C)C;CBPKEZGAMKAZAI-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103297;MM103297;C#CC(C)(C)C(C)N;KYGTYXCHCXKFCQ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103298;MM103298;CC1CN1CC#CC=NO;IRURBPCSFGRLAR-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103299;MM103299;C#CC(C)(C)C(C)F;JUKQCBXBUDPFSO-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103300;MM103300;C#CC(C)(C)C(F)F;HMZDSVXYZDDVFT-UHFFFAOYSA-N;118.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103301;MM103301;C#CC(C)(N)C(C)C;CMAQDSITDMHBPR-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103302;MM103302;C#CC(C)(O)C(C)F;TWMWMVBMXQMJJI-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103303;MM103303;C#CC(C)(F)C(C)C;NDIAVIXTLDFYHI-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103304;MM103304;C#CC(C)(F)C(C)N;GIYXGDTVTOUDJM-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103305;MM103305;C#CC(C)(F)C(C)O;RKCAUDJFDLTNJS-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103306;MM103306;C#CC(F)(F)C(F)F;IRSKORNRLVNZFR-UHFFFAOYSA-N;126.05;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103307;MM103307;C#CC(C)(C)N(C)C;BSGLGIKDBHPSMZ-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103308;MM103308;C=C(C)C(C)(C)CN;SOHAWRVFMLVVRF-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103309;MM103309;NC(=CC=NO)CF;NGOLVNNDTHRXCP-UHFFFAOYSA-N;118.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103310;MM103310;CCC(C)(C)C(C)=O;QSHJLBQLQVSEFV-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103311;MM103311;CC(=O)C(C)(C)CF;JHVZDULURDIGDW-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103312;MM103312;CCC(C)(C)C(=N)N;OEQCZEJZQPZSTR-UHFFFAOYSA-N;114.19;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103313;MM103313;CC(C)(CN)C(=N)N;JECABJBXTIHFFD-UHFFFAOYSA-N;115.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103314;MM103314;CC(C)(CF)C(=N)N;HLGOKOHKRFLFIV-UHFFFAOYSA-N;118.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103315;MM103315;N#CC1CNC(=NO)C1;RYFDBAJNHXCLOP-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103316;MM103316;CC(C)(CN)C(N)=O;HKQZJXVIXAPOPZ-UHFFFAOYSA-N;116.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103317;MM103317;CCC(C)(C)C(=O)O;VUAXHMVRKOTJKP-UHFFFAOYSA-N;116.16;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103318;MM103318;CC(C)(CF)C(=O)O;CKRJGDYKYQUNIM-UHFFFAOYSA-N;120.12;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103319;MM103319;C=C(F)C(C)(C)CC;HDVIKBADTRIYAO-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103320;MM103320;C=C(F)C(C)(C)CO;NUBCACLCIKUARD-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103321;MM103321;C=C(F)C(C)(C)CF;ULYCPOWXRHLDJH-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103322;MM103322;C=C(C)C(C)(N)CC;CFSHHEIMVJOLDA-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103323;MM103323;C=C(C)C(C)(N)CF;FELPKQHHGYRILQ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103324;MM103324;CCC(C)(N)C(=N)N;CTGDFAJJKLOIHW-UHFFFAOYSA-N;115.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103325;MM103325;CC(N)(CN)C(=N)N;ONFLIVUTTQMYBW-UHFFFAOYSA-N;116.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103326;MM103326;CC(N)(CO)C(=N)N;QJYSMTKEOLIOMO-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103327;MM103327;C=C(F)C(C)(N)CC;GTSDQJHHALJTSN-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103328;MM103328;C=C(F)C(C)(N)CN;HETODLJFMVGOAK-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103329;MM103329;NNC1=NCC(=NO)O1;NDCYSFQEYGSCBS-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103330;MM103330;C=C(C)C(C)(O)CF;ULILBPJZIHMPCF-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103331;MM103331;CC(=O)C(C)(O)CF;IPIUMUJTAOXKNK-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103332;MM103332;CC(O)(CN)C(=N)N;JMOIGENCPOKPMJ-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103333;MM103333;CC(O)(CF)C(=N)N;LTFBQMNBYDXZRV-UHFFFAOYSA-N;120.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103334;MM103334;CC(O)(CF)C(N)=O;HEUQFPWDSYPUBQ-UHFFFAOYSA-N;121.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103335;MM103335;C=C(C)C(C)(F)CF;GBJWSZAONUARAA-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103336;MM103336;CCC(C)(F)C(C)=O;KJQJQZWXJLFDDY-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103337;MM103337;CC(=O)C(C)(F)CF;PEDKVFYPYUQGJJ-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103338;MM103338;CCC(C)(F)C(=N)N;MDUUXRBPNYGPSG-UHFFFAOYSA-N;118.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103339;MM103339;CCC(C)(F)C(N)=O;SMOVVRKSVXGWLP-UHFFFAOYSA-N;119.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103340;MM103340;CC(F)(CF)C(N)=O;CLIBVTXMHCATET-UHFFFAOYSA-N;123.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103341;MM103341;CCC(C)(F)C(=O)O;WNQJNSIPFOYZPG-UHFFFAOYSA-N;120.12;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103342;MM103342;C=C(F)C(C)(F)CF;IPNZMNKCYZAEGI-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103343;MM103343;N=C(N)C(F)(F)CN;UIRAKJUQZGLLKG-UHFFFAOYSA-N;123.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103344;MM103344;N=C(N)C(F)(F)CF;MODMXBJBARSFTA-UHFFFAOYSA-N;126.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103345;MM103345;C=C(F)C(F)(F)CO;UMJLJLPGHOARQY-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103346;MM103346;C=C(C)C(C)(C)OC;FQWYSXVYQBOOAX-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103347;MM103347;COC(C)(C)C(C)=O;WIDVGAUYQJKBRR-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103348;MM103348;C=C(F)C(C)(C)OC;MARKGHJDCKMHBP-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103349;MM103349;C=C(C)C(C)(C)C#N;ZREAZNFMBNHSEC-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103350;MM103350;CC(=O)C(C)(C)C=O;HOOWKSPRVCRTJK-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103351;MM103351;C=CC(C)(C)C(=O)O;SCFWAOWWAANBPY-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103352;MM103352;C=CC(C)(C)C(=C)F;FGVYDNIYIGUOAY-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103353;MM103353;C=C(F)C(C)(C)C#N;KFURYQWUJQYMSR-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103354;MM103354;C=CC(C)(N)C(=N)N;HOCHEXQEEAAAIH-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103355;MM103355;CC(=O)C(C)(O)C#N;KEUUIQNAWZBQTD-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103356;MM103356;C=C(F)C(C)(O)C#N;CJDPIMWDHUGNPT-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103357;MM103357;C=CC(C)(F)C(=C)C;UTNMZUXRGNDUHK-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103358;MM103358;C=C(C)C(C)(F)C=O;PXPLIIHSVDLEJE-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103359;MM103359;C=C(C)C(C)(F)C#N;MHSIOJISNAQFDR-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103360;MM103360;C=CC(C)(F)C(=C)F;PGHNMZFDQKMKCH-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103361;MM103361;C=C(F)C(C)(F)C=O;CHAVAHMHNYEEPB-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103362;MM103362;C=C(C)C(F)(F)C=O;ORBGCZMCEFVLES-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103363;MM103363;C=CC(F)(F)C(N)=O;UXKWIEPBPLOKJK-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103364;MM103364;C#CC(C)(C)C(=C)C;WDHDPFVTOXHSOJ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103365;MM103365;C#CC(C)(C)C(=N)N;ZDEQBFHLOQSPIA-UHFFFAOYSA-N;110.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103366;MM103366;C#CC(C)(C)C(N)=O;PROPZRNAXKKFKI-UHFFFAOYSA-N;111.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103367;MM103367;C#CC(C)(C)C(=C)F;AEXOHTWOWFKWKL-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103368;MM103368;C#CC(C)(N)C(=C)C;SXIPIPCZYYBTAQ-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103369;MM103369;C#CC(C)(O)C(=C)F;NWDARXLAECIJCB-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103370;MM103370;C#CC(C)(F)C(=C)C;IVPRDIRUOGKWRH-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103371;MM103371;C#CC(C)(F)C(=O)O;DTZBTXNDQISHRE-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103372;MM103372;C#CC(C)(F)C(=C)F;GHQKCMGWMHNKQP-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103373;MM103373;CC(C)CCC(C)C;UWNADWZGEHDQAB-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103374;MM103374;CC(C)CCC(C)N;IZCBXLKODYZSDJ-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103375;MM103375;C=NN(C=N)CCC=NO;JNCKBNWUDXWLGE-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103376;MM103376;CC(C)CCC(C)F;SWSHZLIPDRFTOR-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103377;MM103377;CC(C)CCC(F)F;SMXQBGKWUCPWCG-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103378;MM103378;CC(O)CCC(C)F;XEGCUOUHOMTIJI-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103379;MM103379;CC(F)CCC(C)F;NKEQYRYIEUELMW-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103380;MM103380;CC(F)CCC(F)F;LCEFHTTWPPRPKC-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103381;MM103381;CC(F)CNC(C)C;QXGSDFDEVLWVKQ-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103382;MM103382;CC(C)COC(C)C;HIIBZFKVMXEQMR-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103383;MM103383;CC(O)COC(C)C;AFHJYKBGDDJSRR-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103384;MM103384;CC(F)COC(C)C;DLJIYVDSPOKIQE-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103385;MM103385;CC(C)OCC(F)F;UYCZNDIQRFYXCU-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103386;MM103386;CC(C)CCN(C)C;KOOQJINBDNZUTB-UHFFFAOYSA-N;115.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103387;MM103387;CC(F)CCN(C)C;POZIFHNAFDNEHD-UHFFFAOYSA-N;119.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103388;MM103388;CN(C)CCC(F)F;SNZSLIVQHTUIRN-UHFFFAOYSA-N;123.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103389;MM103389;C=C(C)CCC(C)C;ISZWTVCVSJVEOL-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103390;MM103390;CC(=O)CCC(C)C;FFWSICBKRCICMR-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103391;MM103391;CC(C)CCC(=N)N;WPIFMEPSARWTFQ-UHFFFAOYSA-N;114.19;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103392;MM103392;NN=C(C=CC=NO)NO;VMIVJOJYLATWCF-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"4-Methylvaleric Acid";MM00814;CC(C)CCC(=O)O;FGKJLKRYENPLQH-UHFFFAOYSA-N;116.16;1.51;12587;DB03993;4MV;CHEMBL1230308;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103393;MM103393;C=C(F)CCC(C)C;LDWDUHKXPOUYJN-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103394;MM103394;C=C(C)CCC(C)N;RGQPKWZHUHUZPW-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103395;MM103395;CC(N)CCC(N)=O;SRODCQYGMHQFKC-UHFFFAOYSA-N;116.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103396;MM103396;C=Cc1cnc(C=C)n1O;CVMPQUOTMUNYLS-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103397;MM103397;CC(O)CCC(=N)N;FQVNTLAVJASXOE-UHFFFAOYSA-N;116.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103398;MM103398;CC(O)CCC(N)=O;FYBCSLFQRDQHAI-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103399;MM103399;C=C(F)CCC(C)O;JEZZMRCVUHZZAG-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103400;MM103400;C=C(C)CCC(C)F;PKEVOCQXNHKQRE-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103401;MM103401;CC(=O)CCC(C)F;HBRAIUINEBTWNC-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103402;MM103402;CC(F)CCC(=O)O;XJSXWDLSWCHWHE-UHFFFAOYSA-N;120.12;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103403;MM103403;C=C(F)CCC(C)F;MTTZSDCDWQGSDJ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103404;MM103404;C=C(C)CCC(F)F;TUGDXYIAPYYMRP-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103405;MM103405;CC(=O)CCC(F)F;DQIKUJQMKMSQMO-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103406;MM103406;NC(=O)CCC(F)F;VLXDQCZJCLWRLA-UHFFFAOYSA-N;123.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103407;MM103407;C=C(F)CCC(F)F;IWRVRCLHXUQGIQ-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103408;MM103408;CC(=N)NCC(C)C;IIAWNWGXUGWEEY-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103409;MM103409;CC(=N)NCC(C)N;ZABRYDAFHIFGQT-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103410;MM103410;CC(=O)NCC(C)N;OIRGFQCXUNWNRF-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103411;MM103411;CC(N)CNC(=N)N;XQMUCURBYXDFHX-UHFFFAOYSA-N;116.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103412;MM103412;CC(N)CNC(N)=O;JDAJMFLKTAVNET-UHFFFAOYSA-N;117.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103413;MM103413;CC(=O)NCC(C)O;YKDZEZDQPMEHGB-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103414;MM103414;CC(O)CNC(=N)N;DABOOPWKHPBSBV-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103415;MM103415;CC(O)CNC(N)=O;VHEYHMGSWDZXEN-UHFFFAOYSA-N;118.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103416;MM103416;CC(F)CNC(=N)N;MXXBUPLVGHNZBI-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103417;MM103417;CC(F)CNC(N)=O;OSKBRNMJWWNXJQ-UHFFFAOYSA-N;120.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103418;MM103418;CC(=O)NCC(F)F;KAPYWDQJHBMCHA-UHFFFAOYSA-N;123.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103419;MM103419;N=C(N)NCC(F)F;UOOMQKJEELDECP-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103420;MM103420;C=C(C)OCC(C)C;DCZYSXBGAIIDCJ-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103421;MM103421;CC(=O)OCC(C)C;GJRQTCIYDGXPES-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103422;MM103422;C=C(C)OCC(C)N;TYWQXCFVRYTKTN-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103423;MM103423;CC(N)COC(=N)N;UHRQAKIPZPDDKT-UHFFFAOYSA-N;117.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103424;MM103424;CC(N)COC(N)=O;IULKRXFLAUCJNS-UHFFFAOYSA-N;118.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103425;MM103425;C=C(C)OCC(C)O;CLVIPGJODNBARE-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103426;MM103426;CC(O)COC(=N)N;SWJZHQKIPNTEHE-UHFFFAOYSA-N;118.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103427;MM103427;CC(O)COC(N)=O;YCDWNZGUODQFGU-UHFFFAOYSA-N;119.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103428;MM103428;C=C(C)OCC(C)F;NDAQZRDOETZURG-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103429;MM103429;CC(F)COC(=N)N;ZPMBKAFXFCEXTR-UHFFFAOYSA-N;120.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103430;MM103430;C=C(C)OCC(F)F;ZMHBDNVMZFAMLX-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103431;MM103431;CC(C)NCC(=N)N;GONSPUMTPFLQFU-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103432;MM103432;N#CCNCCCC=NO;ILKAQEAIAUKBSG-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103433;MM103433;CC(C)NNC(=N)N;FJHRMSKDIKQPRS-UHFFFAOYSA-N;116.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103434;MM103434;C=C(C)COC(C)C;MJBXPPHYBBTMDB-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103435;MM103435;CC(=O)COC(C)C;SICINPWJIHTHON-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103436;MM103436;CC(C)OCC(=N)N;BFRFXXVNFWXWLG-UHFFFAOYSA-N;116.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103437;MM103437;CC(C)OCC(N)=O;WOMBHFDZBLZRLM-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103438;MM103438;C=C(F)COC(C)C;WCKKLAFHWAVSLO-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103439;MM103439;CC(=O)NOC(C)C;XQIDUQOYHBAXKE-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103440;MM103440;C=C(C)CCN(C)C;KRYGHIHESUUPRG-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103441;MM103441;CN(C)CCC(=N)N;LIYWOKKWHOKFBA-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103442;MM103442;CN(C)CCC(N)=O;NIXQLMVKRBUSPF-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103443;MM103443;C=C(F)CCN(C)C;KPBDZWUEFDCTPZ-UHFFFAOYSA-N;117.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103444;MM103444;C=C(C)CCC(=C)C;DSAYAFZWRDYBQY-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103445;MM103445;C=C(C)CCC(C)=O;VBCIOOKAKHGVMI-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103446;MM103446;C=C(C)CCC(=O)O;HVHBTFZQLHOFHA-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103447;MM103447;C=C(C)CCC(=C)F;DZRLRFWAPQWHEC-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103448;MM103448;CC(=O)CCC(=N)N;UNGNQMMRLOJYDI-UHFFFAOYSA-N;114.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103449;MM103449;CC(=O)CCC(N)=O;ALUGUZNECOIQKE-UHFFFAOYSA-N;115.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103450;MM103450;C=C(F)CCC(C)=O;LNQLRGJXVNKVKJ-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103451;MM103451;N=C(N)CCC(=N)N;ZEXBMKRKNORGLI-UHFFFAOYSA-N;114.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103452;MM103452;N=C(N)CCC(N)=O;FCTUIRGUPBCYOC-UHFFFAOYSA-N;115.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103453;MM103453;NC(=O)CCC(N)=O;SNCZNSNPXMPCGN-UHFFFAOYSA-N;116.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103454;MM103454;CONC(=O)ON=CCO;FQNVYDZMUDDCJH-UHFFFAOYSA-N;148.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103455;MM103455;O=C(O)CCC(=O)O;KDYFGRWQOYBRFD-UHFFFAOYSA-N;118.09;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103456;MM103456;C=C(F)CCC(=O)O;QJDHJJDDSUAITE-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103457;MM103457;C=C(F)CCC(=C)F;FVCSKXBFEYTQSV-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103458;MM103458;C=C(C)CNC(C)=N;UCBBOWGJIPHHSC-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103459;MM103459;CC(=O)CNC(C)=O;SICIPBMLFSQZEQ-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103460;MM103460;CC(=O)CNC(=N)N;TULVKMVFHVFHTH-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103461;MM103461;CC(=O)CNC(N)=O;VHKYOWIIXUEGFE-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103462;MM103462;CC(=N)NCC(=N)N;IXBPLOVGVPETMU-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103463;MM103463;CC(=O)NCC(=N)N;CZSVYVUHLDMMST-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103464;MM103464;N=C(N)CNC(=N)N;BUCXBSSFLYHJJU-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103465;MM103465;N=C(N)CNC(N)=O;NWMCGWXECZJYCI-UHFFFAOYSA-N;116.12;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103466;MM103466;CC(=N)NCC(N)=O;VSVLCBKQIBQEHX-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103467;MM103467;CC(=O)NCC(N)=O;WQELDIQOHGAHEM-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103468;MM103468;N=C(N)NCC(N)=O;OOGYRCGPDAPGAJ-UHFFFAOYSA-N;116.12;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103469;MM103469;NC(=O)CNC(N)=O;NFODSNOCEFVBRY-UHFFFAOYSA-N;117.11;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103470;MM103470;N#CCNC(C#N)C=NO;FLHKLSZHYQFQHR-UHFFFAOYSA-N;138.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103471;MM103471;C=C(F)CNC(C)=O;RDCVSAWJBXASOR-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103472;MM103472;C=C(F)CNC(=N)N;IZUXCAWEDISHAN-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103473;MM103473;C=C(C)COC(=C)C;ZLKMCCFHMXEBNG-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103474;MM103474;C=C(C)COC(C)=O;IVKYUXHYUAMPMT-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103475;MM103475;CC(=O)COC(C)=O;DBERHVIZRVGDFO-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103476;MM103476;CC(=O)COC(N)=O;ALZXOGKARSLUSI-UHFFFAOYSA-N;117.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103477;MM103477;C=C(C)OCC(=N)N;XXNNDCAAEOGFCX-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103478;MM103478;CC(=O)OCC(=N)N;KBPKBTQPBJVAJA-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103479;MM103479;N=C(N)COC(=N)N;VWOMRVKKLOPVKM-UHFFFAOYSA-N;116.12;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103480;MM103480;N=C(N)COC(N)=O;FGUMEYWEKNZJJV-UHFFFAOYSA-N;117.11;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103481;MM103481;C=C(C)OCC(N)=O;DFDGYNMJBZUDMH-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103482;MM103482;CC(=O)OCC(N)=O;DMLYTGPBYWHKHU-UHFFFAOYSA-N;117.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103483;MM103483;N=C(N)OCC(N)=O;IXAISVZOERTDGR-UHFFFAOYSA-N;117.11;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103484;MM103484;NC(=O)COC(N)=O;NBYRNDXEPUJXJP-UHFFFAOYSA-N;118.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103485;MM103485;COC(=O)CC(CO)=NO;ZWWVMSRFRXKUGY-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103486;MM103486;C=C(OC)C(F)C(C)=NO;ORPUEYUTMGNDJY-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103487;MM103487;NC(=O)OCC(=O)O;IRASIIUXVCHHAC-UHFFFAOYSA-N;119.08;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103488;MM103488;C=C(F)COC(=C)C;RYZMEQLAANMDHV-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103489;MM103489;C=C(F)COC(C)=O;SBSOGFRJMHDCEQ-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103490;MM103490;CC(=N)NNC(C)=N;XMUSIROOIDNGIF-UHFFFAOYSA-N;114.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103491;MM103491;CC(=N)NNC(C)=O;GOLQZCGYRDMWRZ-UHFFFAOYSA-N;115.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103492;MM103492;CC(=N)NNC(=N)N;SVBZKNJFYNNINK-UHFFFAOYSA-N;115.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103493;MM103493;CC(=N)NNC(N)=O;FTYIMJLJOHRDQI-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103494;MM103494;CC(=O)NNC(C)=O;ZLHNYIHIHQEHJQ-UHFFFAOYSA-N;116.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103495;MM103495;CC(=O)NNC(=N)N;BPBUIOOFUMOEQS-UHFFFAOYSA-N;116.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103496;MM103496;CC(=O)NNC(N)=O;XVTUILQTJLXDEI-UHFFFAOYSA-N;117.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103497;MM103497;N=C(N)NNC(=N)N;ZILVNHNSYBNLSZ-UHFFFAOYSA-N;116.13;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103498;MM103498;N=C(N)NNC(N)=O;DDYDBBBQYLFRJE-UHFFFAOYSA-N;117.11;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103499;MM103499;NC(=O)NNC(N)=O;ULUZGMIUTMRARO-UHFFFAOYSA-N;118.1;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103500;MM103500;CC(=N)NOC(=N)N;HLAOUDSAQNCPEG-UHFFFAOYSA-N;116.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103501;MM103501;CC(=O)NOC(N)=O;ZJESUOLHUGQSNB-UHFFFAOYSA-N;118.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103502;MM103502;CC(=O)ONC(=N)N;HRKLTCXWTZNGPE-UHFFFAOYSA-N;117.11;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103503;MM103503;N=C(N)NOC(N)=O;QICBQJSZCRXGRS-UHFFFAOYSA-N;118.1;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103504;MM103504;CC(=O)ONC(N)=O;VXGWAWGQKJMAMN-UHFFFAOYSA-N;118.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103505;MM103505;NC(=O)NOC(N)=O;XCGWUIXOGKKOEY-UHFFFAOYSA-N;119.08;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103506;MM103506;CC(C)C=CC(C)C;KNCMKWVOMRUHKZ-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103507;MM103507;CC(C)C=CC(C)N;WXJZIYAHRKVLJI-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103508;MM103508;C=C1NC(=N)C(=O)N1;XZLJDXOEHSIIKE-UHFFFAOYSA-N;111.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103509;MM103509;CC(C)C=CC(C)F;BKGHICLHWIOKLC-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103510;MM103510;CC(C)C=CC(F)F;UJYFBVLVZCDDOI-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103511;MM103511;CC(O)C=CC(F)F;SNPAIWIGYNZAHV-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103512;MM103512;CC(F)C=CC(C)F;VQYPNSISVCTDMP-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103513;MM103513;CC(F)C=CC(F)F;KPMJRJJXBHRDQV-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103514;MM103514;FC(F)C=CC(F)F;ZONZDJHNWRGZNJ-UHFFFAOYSA-N;128.07;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103515;MM103515;C#CC(=N)N(N)C=NO;PNWLLHXIHAERJG-UHFFFAOYSA-N;126.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103516;MM103516;CC1C(=O)NC(=N)N1N;RBRGGCBSCITSPU-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103517;MM103517;CC(C)N=CN(C)C;NCHYGMRFKDUUAI-UHFFFAOYSA-N;114.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103518;MM103518;CC(C)N=CN(C)N;IETNOJNUQYVIIR-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103519;MM103519;Cc1nc(N)n(O)c1O;FNYRQWCHSFCZHJ-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103520;MM103520;C=C(C)C=CC(C)C;WFJQGQNVERCLOQ-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103521;MM103521;CC(=O)C=CC(C)C;IYMKNYVCXUEFJE-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103522;MM103522;CC(C)C=CC(=N)N;CAAVGXAMHDGHFG-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103523;MM103523;C=CC1=NC(C)C(=O)N1;UIURWWYWIDALEU-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103524;MM103524;CC(C)C=CC(=O)O;QAOXMQCWUWZZNC-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103525;MM103525;C=C(F)C=CC(C)C;JPUKXAHPXZQLGL-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103526;MM103526;C=C(C)C=CC(C)N;FZBMVSLVXMPOTH-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103527;MM103527;CC(N)C=CC(=N)N;DDVBFHZWKPVCCD-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103528;MM103528;CC(N)C=CC(N)=O;ZVURNDWBZMZEMP-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103529;MM103529;CNc1ncc(O)n1N;CSBXBSOZXOGONJ-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103530;MM103530;CC(O)C=CC(=N)N;DPKHTKITZKYYBL-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103531;MM103531;C=CCC1=NC(C)C(=O)N1;ZBUYGOJFYYWABI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103532;MM103532;C=C(F)C=CC(C)O;XJXDQLAHYKZUSQ-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103533;MM103533;C=C(C)C=CC(C)F;UHSCNIHENJPVNY-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103534;MM103534;CC(=O)C=CC(C)F;POXWVHJSEDMILQ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103535;MM103535;CC(F)C=CC(=N)N;FEKJDYIRNUIZID-UHFFFAOYSA-N;116.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103536;MM103536;CC(F)C=CC(=O)O;IQBRINGAJQJPHZ-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103537;MM103537;C=C(F)C=CC(C)F;IXYCCWPNTZMOPJ-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103538;MM103538;C=C(C)C=CC(F)F;SUZHQGDGLFVFQE-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103539;MM103539;CC(=O)C=CC(F)F;UICUZTOTJBVDDM-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103540;MM103540;NC(=CC=NO)C(O)C=O;WWJNTKHSKUVZGS-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103541;MM103541;O=C(O)C=CC(F)F;IAXOWEBVJCVNQS-UHFFFAOYSA-N;122.07;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103542;MM103542;C=C(F)C=CC(F)F;QPPCPKJIIRNUSA-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103543;MM103543;CN(C)C=CC(=N)N;QUDDCEUAKKGPAH-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103544;MM103544;C=Cn1cnc(CC)c1O;CICFTVKQJMFHAE-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103545;MM103545;CC(=N)N=CN(C)C;KJJSCXCGWXRAMJ-UHFFFAOYSA-N;113.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103546;MM103546;CCC(=N)N(O)C=NO;YWHYUQUGYSOJAE-UHFFFAOYSA-N;131.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103547;MM103547;CN(C)C=NC(=N)N;CKTLGRYXEOSOCR-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103548;MM103548;NN=CN(O)C=CC=NO;CNCPAWMQUJGKPK-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103549;MM103549;CN=C(CN)N(O)C=NO;MQMAABOIAQRFRI-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103550;MM103550;CC(=O)N=CN(C)O;KBTWXAAUVZMLTD-UHFFFAOYSA-N;116.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103551;MM103551;C=C(C)C=NN(C)C;QNIXILGOUVOCEP-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103552;MM103552;CN(C)N=CC(=N)N;DIHUZFBQTAQPGF-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103553;MM103553;C#CC(=NO)N(N)C=CF;IIFGOBRINQLDLD-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103554;MM103554;C=C(C)C(O)(C=O)C=NO;OGYHKMCVDGXFMH-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103555;MM103555;C=C(F)C=NN(C)C;WYZUWPUWVSNZJJ-UHFFFAOYSA-N;116.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103556;MM103556;C=C(C)C=CC(=C)C;ZVFFWOKVVPSTAL-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103557;MM103557;C=C(C)C=CC(C)=O;XUUGSSQXYWMELT-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103558;MM103558;C=C(C)C=CC(=N)N;JHSYQPLSCKZVAS-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103559;MM103559;N=C1NCC(=NO)O1;IRXRGXCRHNHXCO-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103560;MM103560;C=C(C)C=CC(=O)O;VVHRGZKMNAOETC-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103561;MM103561;C=C(C)C=CC(=C)F;WIKGLLKMMKZVSM-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103562;MM103562;CC(=O)C=CC(=N)N;WQUODXPHTLCGPJ-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103563;MM103563;C=C(F)C=CC(C)=O;NRPIAGLZPYVJGV-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103564;MM103564;N=C(N)C=CC(=N)N;LROSJDIFFSJKOO-UHFFFAOYSA-N;112.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103565;MM103565;N=C(N)C=CC(N)=O;KGMUZOSJHMGMPG-UHFFFAOYSA-N;113.12;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103566;MM103566;CCC1=NC(C)C(=O)N1;NFFVCKZBOSWBFF-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103567;MM103567;Nc1c(O)cn(N)c1F;ZBJGVHLKNBLEAF-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103568;MM103568;N=C1C(=O)NC=C1CO;QTSQAKYHYOUXMF-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103569;MM103569;C=C(F)C=CC(=O)O;PDSJHVMKEUHJKU-UHFFFAOYSA-N;116.09;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103570;MM103570;C=C(F)C=CC(=C)F;CRLOOHFFTGPRSX-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103571;MM103571;CC(C)C#CC(C)C;OVJGYUVBHOVELE-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103572;MM103572;CC(C)C#CC(C)N;ONJDPQPQUFBLLN-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103573;MM103573;CC(C)C#CC(C)O;PTDRERHMUFABMH-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103574;MM103574;CC(C)C#CC(C)F;RXYLMSMATREOOW-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103575;MM103575;CC(C)C#CC(F)F;LMECQCUBFVAKQB-UHFFFAOYSA-N;118.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103576;MM103576;CC(N)C#CC(C)N;NVDLDFBUDJQFJA-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103577;MM103577;CC(N)C#CC(C)O;LKRKYTYDLLZESZ-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103578;MM103578;CC(N)C#CC(F)F;IUAAXEQITJSMJS-UHFFFAOYSA-N;119.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103579;MM103579;CC(O)C#CC(C)O;KDOWHHULNTXTNS-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103580;MM103580;CC(O)C#CC(C)F;RXLZWHQAPHCPSO-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103581;MM103581;CC(O)C#CC(F)F;VSSIVHKFEXMCFN-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103582;MM103582;CC(F)C#CC(C)F;MBHXMLDEGACOJI-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103583;MM103583;FC(F)C#CC(F)F;FKFMCFQBZHBUIJ-UHFFFAOYSA-N;126.05;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103584;MM103584;C=C(C)C#CC(C)C;FFCFDFPRNRKOGH-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103585;MM103585;CC(=O)C#CC(C)C;UBMHKJQZXCZKAZ-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103586;MM103586;CC(C)C#CC(=N)N;FDWURFIIKJYXAL-UHFFFAOYSA-N;110.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103587;MM103587;CC(C)C#CC(N)=O;XEBCXTPFTQNQAR-UHFFFAOYSA-N;111.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103588;MM103588;CC(C)C#CC(=O)O;RQIRASYNLSFTIG-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103589;MM103589;C=C(F)C#CC(C)C;SMYGCTBLFFUBAH-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103590;MM103590;C=C(C)C#CC(C)N;JUWHYPZAUGJHPA-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103591;MM103591;CC(N)C#CC(=N)N;WPAYICUBISELAU-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103592;MM103592;CC(N)C#CC(N)=O;NTYOLBUDTHCTHE-UHFFFAOYSA-N;112.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103593;MM103593;C=C(F)C#CC(C)N;HSUSOVOVWHLPET-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103594;MM103594;C=C(C)C#CC(C)O;WMFIGZRDWHYIOC-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103595;MM103595;CC(O)C#CC(=N)N;YLEDIGQRMIHMCD-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103596;MM103596;CC(O)C#CC(N)=O;XUSVWOJKELVZME-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103597;MM103597;C=C(F)C#CC(C)O;KOSXVVQILXABGK-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103598;MM103598;C=C(C)C#CC(C)F;NLMWUQWDFSBNBG-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103599;MM103599;CC(F)C#CC(N)=O;RENPPVDBLZILNM-UHFFFAOYSA-N;115.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103600;MM103600;C=C(F)C#CC(C)F;OCQRGLOQNYOOKP-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103601;MM103601;C=C(C)C#CC(F)F;SYQOOCQQNYDVKW-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103602;MM103602;CC(=O)C#CC(F)F;CDJNFTLYYURVLF-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103603;MM103603;O=C(O)C#CC(F)F;LDPYBCPZBJVBAB-UHFFFAOYSA-N;120.05;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103604;MM103604;C=C(F)C#CC(F)F;WLSKZYUEDUGBCT-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103605;MM103605;C=C(C)C#CC(=C)C;QZXJPGFNLZJNAR-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103606;MM103606;C=C(C)C#CC(C)=O;QXOGYQUVMPEECK-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103607;MM103607;C=C(C)C#CC(=O)O;YCUYQQUEQYXBPD-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103608;MM103608;C=C(C)C#CC(=C)F;ZODAKVKMNPEOQF-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103609;MM103609;C=C(F)C#CC(C)=O;LTISCJPVCLQJMY-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103610;MM103610;N=C(N)C#CC(=N)N;MYOSTSUAWDEAHL-UHFFFAOYSA-N;110.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103611;MM103611;N=C(N)C#CC(N)=O;BOKDILSNELEVQZ-UHFFFAOYSA-N;111.1;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103612;MM103612;NC(=O)C#CC(N)=O;JBTGHKUTYAMZEZ-UHFFFAOYSA-N;112.09;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103613;MM103613;Cc1c(N)nn(O)c1O;YQSMJXADCGHBGS-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103614;MM103614;C=C(F)C#CC(=O)O;SHJQITRKOLCMJN-UHFFFAOYSA-N;114.08;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103615;MM103615;C=C(F)C#CC(=C)F;XDZYRDRBBDEROY-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103616;MM103616;CC(C)=CCC(C)C;VFZIUYUUQFYZBR-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103617;MM103617;CC(F)=CCC(C)C;BEKZNKNNYJZQIN-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103618;MM103618;CC(C)CC=C(F)F;WPNFFVFRQCSLOY-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103619;MM103619;CC(C)=CCC(C)N;ZGAPTJDHCUSFCM-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103620;MM103620;CC(N)CC=C(F)F;JUYKDRZPZZJJNA-UHFFFAOYSA-N;121.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103621;MM103621;C=CC(CN1CC1)=NO;LGPQNSGWSPUDGE-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103622;MM103622;CC(F)=CCC(C)O;HYXPBEFMMPITIS-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103623;MM103623;CC(O)CC=C(F)F;QPZMBQYPFJNTAK-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103624;MM103624;CC(C)=CCC(C)F;YAXBILIUYYEYQE-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103625;MM103625;CC(F)=CCC(C)F;IZHOQUCABDGQGY-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103626;MM103626;CC(F)CC=C(F)F;YRXBMJANBCMFKL-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103627;MM103627;CC(C)=CCC(F)F;ADLBHXQSAPKGSL-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103628;MM103628;CC(F)=CCC(F)F;VMODGNBWKZNNSY-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103629;MM103629;FC(F)=CCC(F)F;QGFXSBINRDITHV-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103630;MM103630;CC(C)=NNC(C)C;NEMJPYNJMBONJU-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103631;MM103631;CC(C)=COC(C)C;YWIWTYWEGLSZJH-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103632;MM103632;CC(F)=COC(C)C;XPTIYFLJZZRNGD-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103633;MM103633;CC(C)OC=C(F)F;JKDLDDQBGHVXJM-UHFFFAOYSA-N;122.11;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103634;MM103634;CC(C)=NOC(C)C;LHEAKOCZFQCLGM-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103635;MM103635;CC(C)=CCN(C)C;WFCAUNYFSHIYTM-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103636;MM103636;C=C(C)CC=C(C)C;JRFKHZNULLDOGQ-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103637;MM103637;C=C(C)CC=C(C)F;XJPMLJPKQBGJTN-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103638;MM103638;C=C(C)CC=C(F)F;FQNZZEBINQGGDM-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103639;MM103639;CC(=O)CC=C(C)C;GGBXJDKSEHTBLW-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103640;MM103640;CC(=O)CC=C(C)F;ZVWYOAXGTGHVGH-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103641;MM103641;CC(=O)CC=C(F)F;VZSRVTSGLSJWCZ-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103642;MM103642;NC(=O)CC=C(F)F;SWBMNXNOAKZPAN-UHFFFAOYSA-N;121.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103643;MM103643;CC(C)=CCC(=O)O;CQJHAULYLJXJNL-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103644;MM103644;CC(F)=CCC(=O)O;XDSOIYYKPXJZRI-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103645;MM103645;O=C(O)CC=C(F)F;KYVNTUAQQAZYNP-UHFFFAOYSA-N;122.07;1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103646;MM103646;C=C(F)CC=C(C)C;YTGMBVZHBCRNNW-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103647;MM103647;C=C(F)CC=C(C)F;NQLUOWWGWVIQIE-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103648;MM103648;C=C(F)CC=C(F)F;QHNKPYSOQAKQAM-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103649;MM103649;CC(=N)NC=C(C)C;HYRZPNRWIMZPPC-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103650;MM103650;CC(=N)NC=C(C)F;XOLRDIMIZOQIAH-UHFFFAOYSA-N;116.14;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103651;MM103651;CC(=O)NC=C(C)F;RIUDAUIPGBSDIR-UHFFFAOYSA-N;117.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103652;MM103652;CC(F)=CNC(=N)N;JXMWSTAPWCLLEP-UHFFFAOYSA-N;117.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103653;MM103653;C=C(C)OC=C(C)C;ZNCMIFSMYJYIMA-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103654;MM103654;C=C(C)OC=C(C)F;QLKJZXBSMFRQMB-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103655;MM103655;C=C(C)OC=C(F)F;HXINQTFSWBTNRT-UHFFFAOYSA-N;120.1;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103656;MM103656;CC(=O)OC=C(C)C;MNJRLZXXSZEIHD-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103657;MM103657;CC(=O)OC=C(C)F;VHLQVDRQEAYBRG-UHFFFAOYSA-N;118.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103658;MM103658;CC(=O)OC=C(F)F;QIEWGBQNJOQACC-UHFFFAOYSA-N;122.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103659;MM103659;CC(=O)ON=C(C)C;GMZRHQOQCJMESC-UHFFFAOYSA-N;115.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103660;MM103660;N=C(N)C(=O)N(N)C=NO;UXWDHYFUZBSMOZ-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103661;MM103661;CC(C)=CC=C(C)C;DZPCYXCBXGQBRN-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103662;MM103662;CC(C)=CC=C(C)F;LYNBDUQEYHFKAC-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103663;MM103663;CC(C)=CC=C(F)F;BWIANEBBDZPLIU-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103664;MM103664;CC(F)=CC=C(C)F;WYRAYITUKYEQLQ-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103665;MM103665;CC(F)=CC=C(F)F;QRYFNWOTSVHCHO-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103666;MM103666;FC(F)=CC=C(F)F;KDKGPLZMKATCHY-UHFFFAOYSA-N;126.05;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103667;MM103667;CC(C)=NN=C(C)C;PFLUPZGCTVGDLV-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103668;MM103668;CC(=N)NN=C(N)N;SVBZKNJFYNNINK-UHFFFAOYSA-N;115.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103669;MM103669;CC1CC(C)(C)C1C;KBRJJYMCIIXFCC-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103670;MM103670;CC1C(N)CC1(C)C;LCYHITYPZSPXBA-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103671;MM103671;C#CCC(C=NO)=C(N)N;IRFGLNZKSDJAJT-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103672;MM103672;CC1C(F)CC1(C)C;MWEDOLIJTQIFKF-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103673;MM103673;CC1CC(C)(C)C1N;DUHVAQPGUDIFAE-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103674;MM103674;CC1(C)CC(N)C1N;SAUFKNPZYMGHME-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103675;MM103675;CC1(C)CC(O)C1N;FWTNFSFYEGNLQV-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103676;MM103676;CC1(C)CC(F)C1N;VSPKSXGIEBRCRE-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103677;MM103677;C#CC(N)=CC(CC)=NO;ONHRXFBMGLYFGW-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103678;MM103678;CC1(C)CC(N)C1O;QYCHUZANHKSCQJ-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103679;MM103679;CC1(C)CC(O)C1O;WEKSLMZQHJLBGL-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103680;MM103680;CC1CC(C)(N)C1C;YYBMTEQRBUCABZ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103681;MM103681;CC1C(N)CC1(C)N;OLTQGQRQZMNBSK-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103682;MM103682;CC1C(O)CC1(C)N;ISJDTVYGBFHLDZ-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103683;MM103683;CC1C(F)CC1(C)N;GNEMLUCIOHFMEK-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103684;MM103684;CC1(N)CC(N)C1N;KFFIGKXESYZIKJ-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103685;MM103685;CC1(N)CC(O)C1N;ZTIRUYSAGIEXQS-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103686;MM103686;CC1CC(C)(N)C1O;XWKLRECVZNDKOA-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103687;MM103687;CC1(N)CC(O)C1O;BTTYJXWIMXXQGY-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103688;MM103688;CC(=NO)NCCC=NO;KUHLQKXBBQGJPE-UHFFFAOYSA-N;145.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103689;MM103689;CC1C(O)CC1(C)O;VXBAOJNUNXOSDA-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103690;MM103690;CC1C(F)CC1(C)O;LTGZIQPZIYVCNV-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103691;MM103691;CC1CC(C)(O)C1N;MEDDQGFMRYJMMG-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103692;MM103692;CC1(O)CC(N)C1N;ROAKCFYKQKRORZ-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103693;MM103693;CC1(O)CC(O)C1N;SFQWABKSJSYVKM-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103694;MM103694;CC1(O)CC(N)C1O;BLTNEAQLICNEFZ-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103695;MM103695;CC1(O)CC(O)C1O;NZNFMFFFDVMJGI-UHFFFAOYSA-N;118.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103696;MM103696;CC1CC(C)(F)C1C;BJPPGHBBZXDZNR-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103697;MM103697;CC1C(N)CC1(C)F;GCMHRXSGTGAXRS-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103698;MM103698;CC1C(O)CC1(C)F;MTUABWDSAIDMDW-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103699;MM103699;CC1C(F)CC1(C)F;JUCKZKVKALYSAJ-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103700;MM103700;CC1CC(C)(F)C1N;PSFLBUVLURZOTH-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103701;MM103701;CC1(F)CC(N)C1N;TYIMLNHYSUQWRH-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103702;MM103702;CC1CC(F)(F)C1C;WZYRKMMMGMRENC-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103703;MM103703;CC1C(N)CC1(F)F;XPNHKRCWSMXYBX-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103704;MM103704;CC1C(O)CC1(F)F;ITNDZWJXEGQAKU-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103705;MM103705;CC1C(F)CC1(F)F;RORIJIVHHPXDQW-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103706;MM103706;CC1NC(C)(C)C1C;KDVUHKYUOPXWJA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103707;MM103707;CC1NC(C)(C)C1N;DMGFUALGMOQKJT-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103708;MM103708;CC1NC(C)(C)C1O;DAKUQSXDRCOPMV-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103709;MM103709;CC1OC(C)(C)C1C;XJBDMNMFTORFBQ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103710;MM103710;CC1OC(C)(C)C1N;KQTCEEOKCIWRCN-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103711;MM103711;CC1OC(C)(C)C1O;PJSRTXQJXNXKTO-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103712;MM103712;CC1N(C)CC1(C)C;AMIJXVRZPLSHLR-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103713;MM103713;CC1N(C)CC1(C)N;VNKNPQOIDHBNMU-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103714;MM103714;CC1N(C)CC1(C)F;YXFXIFSQGRTPLX-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103715;MM103715;CC1CC(C)(C)N1C;UTHXIYPQADSVGV-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103716;MM103716;CN1C(=O)CC1(C)C;PUTNPOQMQWLAPO-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103717;MM103717;CC1(C)CC(=O)N1N;POSOMRWMKNTWGO-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103718;MM103718;CC1CC(C)(C)C1=O;BZPWVIRKXDIZIS-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103719;MM103719;CC1(C)CC(O)C1=O;ZIILMUQFQYDZFE-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103720;MM103720;CC1(C)CC(F)C1=O;ZYGWKTKRJIKUBF-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103721;MM103721;CC1CC(C)(O)C1=O;WFYFOKRKDAIVTH-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103722;MM103722;CC1(O)CC(O)C1=O;HLSWRLDPENKGGY-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103723;MM103723;CC1(O)CC(F)C1=O;DJINMUVQLNDJDJ-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103724;MM103724;CC1CC(C)(F)C1=O;NQIXHXRAFRJUTO-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103725;MM103725;CC1(F)CC(O)C1=O;DRCSFWBKOZKNAB-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103726;MM103726;CC1(F)CC(F)C1=O;DIBQKPUGKFQZEU-UHFFFAOYSA-N;120.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103727;MM103727;CC1CC(F)(F)C1=O;FRBQEEJEOLLLEI-UHFFFAOYSA-N;120.1;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103728;MM103728;CCN(N)C(=NO)OC=O;IWXUKJMTQRGRAQ-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103729;MM103729;CC1OC(C)(C)C1=O;LSFQHTIEKCEALF-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103730;MM103730;CN1CC(C)(C)C1=O;QGGAFEDKNOVPFI-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103731;MM103731;CC1(C)CN(N)C1=O;LTQYLMUHMZNOGH-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103732;MM103732;CN1CC(C)(O)C1=O;FDWFPXLJUHBRAH-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103733;MM103733;Cc1ccc(N)c(C)c1O;XSBKXUJEVYHSNO-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103734;MM103734;CN1CC(C)(F)C1=O;RTCVOCXJKSWWQW-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103735;MM103735;CC1(F)CN(N)C1=O;UEWJMHAQGFCDHG-UHFFFAOYSA-N;118.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103736;MM103736;CN1CC(F)(F)C1=O;TVENWZNIWWQQGA-UHFFFAOYSA-N;121.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103737;MM103737;CCC1CC(C)(C)C1;DNDQLTNNDQVTOP-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103738;MM103738;CC1(C)CC(CN)C1;OHSARIBAZSSJMI-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103739;MM103739;C#CC(=NN)N(N)C=NO;XHIAHOHAQNQPBH-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103740;MM103740;CC1(C)CC(CF)C1;XCPDWPGEZMFVDX-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103741;MM103741;CCC1CC(C)(N)C1;WVFLFLHGMROWNN-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103742;MM103742;CC1(N)CC(CN)C1;YHHFYCFWYHSXDA-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103743;MM103743;CC1(N)CC(CO)C1;YDAOQLPRUOOMFX-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103744;MM103744;CC1(N)CC(CF)C1;GPGQCXYKIPYBCC-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103745;MM103745;C#CC(C=C(N)N)=NO;GNSKPTRUEKKZFL-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103746;MM103746;CC1(O)CC(CN)C1;ZKOTWCOHRWHNHA-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103747;MM103747;CC1(O)CC(CO)C1;SGNWGZQUTZVGHM-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103748;MM103748;CC1(O)CC(CF)C1;KEBOBSNMPWDUJZ-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103749;MM103749;CCC1CC(C)(F)C1;PVVSGPZBCLJPSX-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103750;MM103750;CC1(F)CC(CN)C1;AJELTLNLCYNWKN-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103751;MM103751;CC1(F)CC(CO)C1;MNPBGQTWHFXYFJ-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103752;MM103752;CC1(F)CC(CF)C1;WYYLJISAWBZUGG-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103753;MM103753;CCC1CC(F)(F)C1;JNLYNWBWQAKTEU-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103754;MM103754;NCC1CC(F)(F)C1;BUVXADKKXYLSTP-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103755;MM103755;OCC1CC(F)(F)C1;MDZKTVVUZBIKGI-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103756;MM103756;FCC1CC(F)(F)C1;QCQWUYNLIDGNLS-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103757;MM103757;CNC1CC(C)(C)C1;ACMDLPNZRWNCBP-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103758;MM103758;CNC1CC(C)(N)C1;VCTYZTKDYVOYCL-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103759;MM103759;CNC1CC(C)(O)C1;RZTRDGYZPYLHMG-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103760;MM103760;CNC1CC(C)(F)C1;JVXPQHAOGZOULV-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103761;MM103761;CNC1CC(F)(F)C1;SFSJGDLPZNJHHA-UHFFFAOYSA-N;121.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103762;MM103762;COC1CC(C)(C)C1;IFCGMORPBLRHFN-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103763;MM103763;COC1CC(C)(N)C1;DXMUDXWXSJUSEI-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103764;MM103764;COC1CC(C)(O)C1;NEPJATOIVXWAFS-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103765;MM103765;COC1CC(C)(F)C1;LDIQGUBAJNMCNG-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103766;MM103766;COC1CC(F)(F)C1;HRBSRNQRIFLPLJ-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103767;MM103767;CCC1CC(C)(C)N1;JJJTURXZQIJGSO-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103768;MM103768;CC1(C)CC(CN)N1;QYSIQLMNCKBEGV-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103769;MM103769;CC1(C)CC(CO)N1;WVVQMHVJPKHXKT-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103770;MM103770;CC1(C)CC(CF)N1;AGMFYTOTMUHAMD-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103771;MM103771;CCC1CC(C)(C)O1;AMFNEYQDYCVWBN-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103772;MM103772;CC1(C)CC(CN)O1;JDVXFWBTLQEYPW-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103773;MM103773;CC1(C)CC(CO)O1;CDONQJJPVGPKQE-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103774;MM103774;CC1(C)CC(CF)O1;MXEFAZCAIVTBLS-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103775;MM103775;CCN1CC(C)(C)C1;PQCUDASEJQRNNP-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103776;MM103776;CCN1CC(C)(N)C1;XCRQQPLRLONRSH-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103777;MM103777;CCN1CC(C)(F)C1;YCCFVXOTBSPBHH-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103778;MM103778;CCN1CC(F)(F)C1;QWNYXDCVDPAVOO-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103779;MM103779;C=CC1CC(C)(C)C1;VLZCJWUGQNPCRF-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103780;MM103780;CC1(C)CC(C=O)C1;HIPQXNTZSDKPRC-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103781;MM103781;CC1(C)CC(C#N)C1;JGQKDUIQJBOXRM-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103782;MM103782;C=CC1CC(C)(N)C1;ZGCPCAOHTYTYLL-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103783;MM103783;NN(C=CC=NO)C=NO;BSHFNQDPVLJFAV-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103784;MM103784;CC1(O)CC(C=O)C1;HZHLZRNBGBNRAI-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103785;MM103785;CC1(O)CC(C#N)C1;LBPNLHIIJCTWAT-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103786;MM103786;C=CC1CC(C)(F)C1;ZCHCFRFXGACMIF-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103787;MM103787;CC1(F)CC(C=O)C1;OVSZKDZFDZXUTB-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103788;MM103788;CC1(F)CC(C#N)C1;KKXBFAXYQBKALT-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103789;MM103789;C=CC1CC(F)(F)C1;RESAEUGHFNTUAD-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103790;MM103790;O=CC1CC(F)(F)C1;WXUHWGRKLOGPGE-UHFFFAOYSA-N;120.1;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103791;MM103791;N#CC1CC(F)(F)C1;RCXLAPBURAMYKG-UHFFFAOYSA-N;117.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103792;MM103792;C=CC1CC(C)(C)N1;TZIFMHYSOFPTGN-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103793;MM103793;CC1(C)CC(C=O)N1;JEIJPUJEGBQMRC-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103794;MM103794;CC1(C)CC(C#N)N1;CDARDGBZOZROCV-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103795;MM103795;C=CC1CC(C)(C)O1;YVTNPBWUMFNDLZ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103796;MM103796;CC1(C)CC(C=O)O1;MKWZAHPXVGBJSC-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103797;MM103797;CC1(C)CC(C#N)O1;LWXFTEQTASXCOD-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103798;MM103798;CC1(C)CN(C=N)C1;HBMXXLGOPHKIQI-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103799;MM103799;CC1(C)CN(C=O)C1;USZNGLZQNHNOAF-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103800;MM103800;CC1(N)CN(C=N)C1;JYTRLZSNXPLBLF-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103801;MM103801;CC1(N)CN(C=O)C1;XSIDEJHKFVBMAG-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103802;MM103802;CC1(O)CN(C=N)C1;HUDVQPFCUWQJKL-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103803;MM103803;CC1(O)CN(C=O)C1;BIMLJUYDQNGVEG-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103804;MM103804;CC1(F)CN(C=N)C1;PCDKLZFULHIOST-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103805;MM103805;CC1(F)CN(C=O)C1;PVVBWSLQWCOHMJ-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103806;MM103806;N=CN1CC(F)(F)C1;SHVKTYGWZVMJCW-UHFFFAOYSA-N;120.1;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103807;MM103807;O=CN1CC(F)(F)C1;INVJBYOXKDTRAB-UHFFFAOYSA-N;121.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103808;MM103808;C=NN1CC(C)(C)C1;XOZSKYAJTNAVJA-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103809;MM103809;C=NN1CC(C)(N)C1;YYQOLEOARYBCEK-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103810;MM103810;CN1CC(=O)NC1=N;DDRJAANPRJIHGJ-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103811;MM103811;C=NN1CC(C)(F)C1;LRZQLFWSAFWDRC-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103812;MM103812;C=NN1CC(F)(F)C1;QOGALNBCCCBCNA-UHFFFAOYSA-N;120.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103813;MM103813;C#CC1CC(C)(C)C1;PXEFRHXCZUHQRZ-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103814;MM103814;C#CC1CC(C)(N)C1;VKEHCPCKYMIQDG-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103815;MM103815;CC1=NC(C)C(=O)N1;HJIPAXAXUBUDRY-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103816;MM103816;C#CC1CC(C)(F)C1;LVMHMHXNVKBQJT-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103817;MM103817;C#CC1CC(F)(F)C1;NEDKLPKMGRXYOK-UHFFFAOYSA-N;116.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103818;MM103818;C#CC1CC(C)(C)N1;RVQDRDUWNBOYLL-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103819;MM103819;C#CC1CC(C)(C)O1;UMISEKLMULZEOF-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103820;MM103820;CC(C)C1CC1(C)C;PQLWJJKVXQAMHF-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103821;MM103821;CC(N)C1CC1(C)C;QQSDGHPFTKPPDJ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103822;MM103822;N=C(NO)ONC=NO;SSKBJJVNZBJFRY-UHFFFAOYSA-N;134.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103823;MM103823;CC(F)C1CC1(C)C;LCAYNZQVUYNIOG-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103824;MM103824;CC1(C)CC1C(F)F;QYPBMJIZUVYNQU-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103825;MM103825;CC(C)C1CC1(C)N;IAQVBZISOIXBSD-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103826;MM103826;CC(N)C1CC1(C)N;LSBPMOAQPZOZGX-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103827;MM103827;CC(O)C1CC1(C)N;YZFWNADOMKHHCC-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103828;MM103828;CC(F)C1CC1(C)N;ZGKZIIJDKWZECL-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103829;MM103829;CC1(N)CC1C(F)F;CAHAPNDHMLEWTC-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103830;MM103830;C=C(C)N=C(C=NO)NO;PNAOOEJRWHNYKV-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103831;MM103831;CC(N)C1CC1(C)O;PILOLYZLBHCGMD-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103832;MM103832;CC(O)C1CC1(C)O;SBDUPFMYLWZSCX-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103833;MM103833;CC(F)C1CC1(C)O;SKOPVXWCXZPTAG-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103834;MM103834;CC1(O)CC1C(F)F;VYEUQHBQCFZCIY-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103835;MM103835;CC(C)C1CC1(C)F;BEIZISRDYXZFIR-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103836;MM103836;CC(N)C1CC1(C)F;LUSFWRNQPACWJU-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103837;MM103837;CC(O)C1CC1(C)F;YVEDDLKEYSFXMH-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103838;MM103838;CC(F)C1CC1(C)F;SHZURDLIGCZCMW-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103839;MM103839;CC1(F)CC1C(F)F;ZWXZHBJASCFDNJ-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103840;MM103840;CC(C)C1CC1(F)F;RHQWKZUDDABPLS-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103841;MM103841;CC(N)C1CC1(F)F;GPYXLJTYTVJBQZ-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103842;MM103842;CC(O)C1CC1(F)F;HMSPNWYZUODBID-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103843;MM103843;CC(F)C1CC1(F)F;ALHQRXOIPHCKFC-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103844;MM103844;FC(F)C1CC1(F)F;ZJSQRUJFNAYPBW-UHFFFAOYSA-N;128.07;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103845;MM103845;CN(C)C1CC1(C)C;GZHMUTUHCGCKRQ-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103846;MM103846;CN(C)C1CC1(C)N;SPUDXAVMHNLVPF-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103847;MM103847;CN(C)C1CC1(C)O;GYNHAEMLBAHLKQ-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103848;MM103848;CN(C)C1CC1(F)F;PFOJYPRRLURKFH-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103849;MM103849;CC(N)C1NC1(C)C;FMGQXCJUTPEUNJ-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103850;MM103850;CC(F)C1NC1(C)C;GAODZBASCNYXCR-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103851;MM103851;CC1(C)NC1C(F)F;UIFREBPTWDYKRE-UHFFFAOYSA-N;121.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103852;MM103852;CC(C)C1OC1(C)C;UPZXPGHQHUQUFI-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103853;MM103853;CC(N)C1OC1(C)C;JUHQEJCHURCFKE-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103854;MM103854;CC(O)C1OC1(C)C;YSDUPQNXIOJZPX-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103855;MM103855;CC(F)C1OC1(C)C;VMJYHHAZLGKFRK-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103856;MM103856;CC1(C)OC1C(F)F;JAVQTNWMKYNJTM-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103857;MM103857;C=C(C)C1CC1(C)C;LWEPLBXTZQHKEX-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103858;MM103858;CC(=O)C1CC1(C)C;RDPAKDKQKUJZJU-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103859;MM103859;CC1(C)CC1C(=N)N;GOZCTJIUMDNFPH-UHFFFAOYSA-N;112.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103860;MM103860;Cc1nc(=NN)[nH]c(=N)o1;FNHFZZUYPGWXOU-UHFFFAOYSA-N;141.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103861;MM103861;CC1(C)CC1C(=O)O;BFNMOMYTTGHNGJ-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103862;MM103862;C=C(F)C1CC1(C)C;GBKWRWJQYHRLBZ-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103863;MM103863;C=C(C)C1CC1(C)N;XDEJOSXZRSBOHP-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103864;MM103864;CC1(N)CC1C(=N)N;QAKXFHGVQDCLGA-UHFFFAOYSA-N;113.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103865;MM103865;CC1(N)CC1C(N)=O;INSACGUYRZUACY-UHFFFAOYSA-N;114.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103866;MM103866;C=C(F)C1CC1(C)N;FTADLRPBTAPRRJ-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103867;MM103867;N=C(C=NO)N(O)CCO;IGVHFYKXFXRZPK-UHFFFAOYSA-N;147.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103868;MM103868;CC(=O)C1CC1(C)O;WCTVFKQUWIMHAR-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103869;MM103869;CC1(O)CC1C(=N)N;NVNPZMIGEMPUCW-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103870;MM103870;CC1(O)CC1C(N)=O;IGAVWNSNVUEXAK-UHFFFAOYSA-N;115.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103871;MM103871;CONC(=N)C(C#N)=NO;RJMQGXCDTNSLDH-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103872;MM103872;C=C(F)C1CC1(C)O;MMEVCYWOOVLTQL-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103873;MM103873;C=C(C)C1CC1(C)F;JAWVPXNUVSMZLE-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103874;MM103874;CC(=O)C1CC1(C)F;DUMDWFNPFRJTHK-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103875;MM103875;CC1(F)CC1C(=N)N;LVOPKOMWMMBKQE-UHFFFAOYSA-N;116.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103876;MM103876;CC1(F)CC1C(N)=O;RPJVBZWHERPQNR-UHFFFAOYSA-N;117.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103877;MM103877;CC1(F)CC1C(=O)O;BMKQBQIMOHPNQK-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103878;MM103878;C=C(F)C1CC1(C)F;FTHQHMLGWFEGSR-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103879;MM103879;C=C(C)C1CC1(F)F;HXKOQMVZJKGTCP-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103880;MM103880;CC(=O)C1CC1(F)F;WMCSXWSBMCFRAG-UHFFFAOYSA-N;120.1;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103881;MM103881;N=C(N)C1CC1(F)F;DENGLMBZGHQPEY-UHFFFAOYSA-N;120.1;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103882;MM103882;NC(=O)C1CC1(F)F;VEQGOZCVNSMHRR-UHFFFAOYSA-N;121.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103883;MM103883;O=C(O)C1CC1(F)F;KMLMOVWSQPHQME-UHFFFAOYSA-N;122.07;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103884;MM103884;C=C(F)C1CC1(F)F;VHENYAVFVHPZFL-UHFFFAOYSA-N;122.09;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103885;MM103885;NC(CNC(=O)CO)=NO;JLAVDAYXIIHZFC-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103886;MM103886;CC1(C)NC1C(=N)N;GESCBJCHSORACB-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103887;MM103887;N=c1nnn(O)c(=NN)[nH]1;AEUTZSNXGKZYJK-UHFFFAOYSA-N;143.11;-2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103888;MM103888;C=C(F)C1NC1(C)C;VKODJVYQWMNABA-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103889;MM103889;C=C(C)C1OC1(C)C;PICDHMAJJNWXOK-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103890;MM103890;CC(=O)C1OC1(C)C;NNQKVIBIXATSIX-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103891;MM103891;CC1(C)OC1C(=N)N;IHORMGXCIKNWBO-UHFFFAOYSA-N;114.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103892;MM103892;CC1(C)OC1C(N)=O;VHQRLFJQBSEHIY-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103893;MM103893;CN=c1[nH]cc(F)o1;JYVVEYPQIUDRSH-UHFFFAOYSA-N;116.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103894;MM103894;C=C(F)C1OC1(C)C;VMPOVJPKLMGKCC-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103895;MM103895;CC(=N)N1CC1(C)C;INIATZQBAFFTFC-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103896;MM103896;CC(=O)N1CC1(C)C;PZFRYCITLDECIX-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103897;MM103897;CC1(C)CN1C(=N)N;VHAFGPQQFNFVBF-UHFFFAOYSA-N;113.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103898;MM103898;CC1(C)CN1C(N)=O;GQFKLEOLIKKNLE-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103899;MM103899;CC1CCC(C)(C)C1;OBKHYUIZSOIEPG-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103900;MM103900;CC1(C)CCC(N)C1;LSRWLFSMCCKSJA-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103901;MM103901;CNN(C=O)CCC=NO;OAHCLUBXTOWNIA-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103902;MM103902;CC1(C)CCC(F)C1;YQOKFJLESKAPER-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103903;MM103903;CC1CCC(C)(N)C1;JGWGDVYJTSMCRZ-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103904;MM103904;CC1(N)CCC(N)C1;ZCLCARUQUJTUKH-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103905;MM103905;CC1(N)CCC(O)C1;YDUCHYJBCXWVJT-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103906;MM103906;CC1(N)CCC(F)C1;RTNJUSMPLDRSAG-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103907;MM103907;ON=C1CN2CC2(CF)C1;SPWOIXNMNSFEJV-UHFFFAOYSA-N;144.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103908;MM103908;CC1(O)CCC(N)C1;IYFHJEJEAYGRRF-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103909;MM103909;CC1(O)CCC(O)C1;QIGOESOMEANKQI-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103910;MM103910;CC1(O)CCC(F)C1;UYPCORRWCXGOBE-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103911;MM103911;CC1CCC(C)(F)C1;UHBMWBFXFDXZPV-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103912;MM103912;CC1(F)CCC(N)C1;GQJAIQJOBWDXAS-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103913;MM103913;CC1(F)CCC(O)C1;XBCCSDKSIYPUTN-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103914;MM103914;CC1(F)CCC(F)C1;BJRKEQCRAJXZRU-UHFFFAOYSA-N;120.14;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103915;MM103915;CC1CCC(F)(F)C1;NBSJCAVRXHCOAD-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103916;MM103916;NC1CCC(F)(F)C1;QLOHXGYAULHFOG-UHFFFAOYSA-N;121.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103917;MM103917;OC1CCC(F)(F)C1;UXEMHKAZXAHULD-UHFFFAOYSA-N;122.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103918;MM103918;FC1CCC(F)(F)C1;PYDIUUPUZIYLKC-UHFFFAOYSA-N;124.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103919;MM103919;CC1CC(C)(C)CN1;DMLFUWCXZHZERA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103920;MM103920;CC1CC(C)(N)CN1;LHHYGLLGDLNNNJ-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103921;MM103921;CC1CC(C)(O)CN1;YERPTMVMHUVVJH-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103922;MM103922;CC1CC(C)(F)CN1;JKTXZVXQINVPBT-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103923;MM103923;CC1CC(C)(C)CO1;RSUGVWXPNOYLKS-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103924;MM103924;CC1CC(C)(N)CO1;XGRQLPCNLVOSQD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103925;MM103925;CC1CC(C)(O)CO1;XPZSPCJEKSEKJY-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103926;MM103926;CC1CC(C)(F)CO1;GGFQDLSBZAZBLZ-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103927;MM103927;CC1CC(F)(F)CO1;BVIFUPJUZQHDHM-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103928;MM103928;CC1CNC(C)(C)C1;AJMDMNYTTSGFEL-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103929;MM103929;CC1(C)CC(N)CN1;UUZIIDWFKAWKOP-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103930;MM103930;CC1(C)CC(O)CN1;HFTIGFBKBVCGPD-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103931;MM103931;CC1(C)CC(F)CN1;QRGVZKSPNBISLT-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103932;MM103932;CC1COC(C)(C)C1;CETFIZIRHCSDMM-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103933;MM103933;CC1(C)CC(N)CO1;KBEFRPWLPUMNCO-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103934;MM103934;CC1(C)CC(O)CO1;MPEYEQCMWJLKJQ-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103935;MM103935;CC1(C)CC(F)CO1;MDXBPXVSQMZCOD-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103936;MM103936;CC1CCC(C)(C)N1;KYJPHSGZNHRHDB-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103937;MM103937;CC1CCC(C)(C)O1;YBCWTTVQTAFTNO-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103938;MM103938;CC1OCC(C)(C)O1;LCOIDVFVHWYYQF-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103939;MM103939;CC1COC(C)(C)O1;ALTFLAPROMVXNX-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103940;MM103940;CN1CCC(C)(C)C1;WACYTCDCBQXUAW-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103941;MM103941;CN1CCC(C)(N)C1;CTCROLHSTQLQKI-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103942;MM103942;CN1CCC(C)(O)C1;LZCLRPYCYCEKBS-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103943;MM103943;CN1CCC(F)(F)C1;HUSGIMGPSCQRKA-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103944;MM103944;C=C1CCC(C)(C)C1;HHVJYBCGWZUROZ-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103945;MM103945;CC1(C)CCC(=O)C1;JSYAQLZSGHPSJD-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103946;MM103946;C=C1CCC(C)(N)C1;MMNWOZCSAFOUSJ-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103947;MM103947;CC1=NC(C)C(=O)N1C;WFXDHDDBCTZAED-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103948;MM103948;CC1(O)CCC(=O)C1;GZSGPBPXZYVRPH-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103949;MM103949;C=C1CCC(C)(F)C1;CCWVZYGFZSMYQP-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103950;MM103950;CC1(F)CCC(=O)C1;OKVXYPVCBMUOQH-UHFFFAOYSA-N;116.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103951;MM103951;C=C1CCC(F)(F)C1;POYZUPWWPBBSTR-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103952;MM103952;O=C1CCC(F)(F)C1;OVABPUHVEPAZAL-UHFFFAOYSA-N;120.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103953;MM103953;CC1(C)CNC(=N)C1;MNNRROMROMAXDR-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103954;MM103954;CC1(C)CNC(=O)C1;HGVPKAGCVCGRDQ-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103955;MM103955;CC1(N)CNC(=N)C1;KZWKAOPFVWVANL-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103956;MM103956;CC1(N)CNC(=O)C1;OJCOMZHVTNDVGK-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103957;MM103957;CC1(O)CNC(=N)C1;DRODKZHRTSZVLK-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103958;MM103958;CC1(O)CNC(=O)C1;IKBAOKIBAADRKR-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103959;MM103959;CC1(F)CNC(=N)C1;IXONWSFCMDVWEA-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103960;MM103960;CC1(F)CNC(=O)C1;ZAGWUZPQDGZAMZ-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103961;MM103961;N=C1CC(F)(F)CN1;UIHRCMUUCGMSHS-UHFFFAOYSA-N;120.1;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103962;MM103962;O=C1CC(F)(F)CN1;PVNTVEUEDNMWIV-UHFFFAOYSA-N;121.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103963;MM103963;C=C1CC(C)(C)CO1;LEXHEYZAZSNAME-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103964;MM103964;CC1(C)COC(=O)C1;LZAKUZBAAQDJCF-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103965;MM103965;CC1(N)COC(=O)C1;CEIFDWRELMIDPF-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103966;MM103966;C=C1CC(C)(O)CO1;AYOGLKFZGUOBAQ-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103967;MM103967;CC1(O)COC(=O)C1;LOWUODSNVLOLJO-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103968;MM103968;C=C1CC(C)(F)CO1;SFMNCVLWMHFRJX-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103969;MM103969;CC1(F)COC(=O)C1;PYQZVKSEAUNHPL-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103970;MM103970;C=C1CC(F)(F)CO1;RYMPKMHFBWJCMV-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103971;MM103971;O=C1CC(F)(F)CO1;UPHKSWKTMVHMJO-UHFFFAOYSA-N;122.07;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103972;MM103972;C=C1CNC(C)(C)C1;UWNUFXIBYDNFTL-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103973;MM103973;CC1(C)CC(=N)NN1;JKVWMVGVHRZLFT-UHFFFAOYSA-N;113.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103974;MM103974;CNNC(=NO)OC(C)=O;ZWKHDYQJLIVQGY-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103975;MM103975;C=C1COC(C)(C)C1;UOEAYTMWFOUPKU-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103976;MM103976;CC1(C)CC(=O)CO1;FJIZZBSPJHPCAY-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103977;MM103977;CC1(C)CC(=N)NO1;LWABIKVVWYCMII-UHFFFAOYSA-N;114.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103978;MM103978;CC1(C)CCC(=N)N1;CLKGGDYPNPRDSK-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103979;MM103979;CC1(C)CCC(=O)N1;UUTGCNVYKLQLRV-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103980;MM103980;CC1(C)CNC(=N)N1;HHGAPGPNZJGNHS-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103981;MM103981;CC1(C)CNC(=O)N1;IRLLLHYGMMQKFU-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103982;MM103982;CC1(C)COC(=O)N1;SYARCRAQWWGZKY-UHFFFAOYSA-N;115.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103983;MM103983;C=C1CCC(C)(C)O1;ATHUNRCYDABTND-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103984;MM103984;CC1(C)CCC(=O)O1;NPHAVLULUWJQAS-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103985;MM103985;CC1(C)CNC(=N)O1;FYEGWALDOWGEQR-UHFFFAOYSA-N;114.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103986;MM103986;CC1(C)CNC(=O)O1;OGUQHFXVADNTBU-UHFFFAOYSA-N;115.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103987;MM103987;CC1(C)COC(=O)O1;PUEFXLJYTSRTGI-UHFFFAOYSA-N;116.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103988;MM103988;C=C1COC(C)(C)O1;CRGFTBZVOWHYIS-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103989;MM103989;CC1(C)OCC(=O)O1;JKUCOZWILDFXMF-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103990;MM103990;CC1(C)ONC(=N)O1;OUTKMWNEWHCBHH-UHFFFAOYSA-N;116.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103991;MM103991;CC1C=CC(C)(C)C1;DUDYIBGKPFJUEF-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103992;MM103992;CC1(C)C=CC(N)C1;MBHIKXNSJCFZFE-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103993;MM103993;N=C(NO)ONC(=O)NN;LSBSKGRCGHEVLF-UHFFFAOYSA-N;149.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103994;MM103994;CC1(C)C=CC(F)C1;VTFHZEMWYDZQBB-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103995;MM103995;CC1C=CC(C)(N)C1;KCJIRKAQFQZVRD-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103996;MM103996;CC1(N)C=CC(N)C1;JBOLFBXZGYOULA-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103997;MM103997;CC1(N)C=CC(O)C1;FLEUDOFXLJHYKT-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103998;MM103998;CC1(N)C=CC(F)C1;FLZPLHSKIBYPLJ-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM103999;MM103999;NN=c1ccc(O)cn1O;CVHZXWAZMAGHPL-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104000;MM104000;CC1(O)C=CC(N)C1;GDBLNOCNPDPQNG-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104001;MM104001;CC1(O)C=CC(O)C1;WLJBGUSEZDEMAT-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104002;MM104002;CC1(O)C=CC(F)C1;LVFRSOXKEDVUOT-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104003;MM104003;CC1C=CC(C)(F)C1;GQBPDQCOQYCNQZ-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104004;MM104004;CC1(F)C=CC(N)C1;HAQBCKAWRFIJIJ-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104005;MM104005;CC1(F)C=CC(O)C1;ZBZRBSUJGKNRJX-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104006;MM104006;CC1(F)C=CC(F)C1;LQIXWALQQDRWCP-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104007;MM104007;CC1C=CC(F)(F)C1;AVASFEAVZJTOST-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104008;MM104008;NC1C=CC(F)(F)C1;SPEFDNUHZJFLKZ-UHFFFAOYSA-N;119.11;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104009;MM104009;OC1C=CC(F)(F)C1;UQSZBGJYEOFXSX-UHFFFAOYSA-N;120.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104010;MM104010;FC1C=CC(F)(F)C1;SYOSXHYTZJCGFK-UHFFFAOYSA-N;122.09;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104011;MM104011;CC1C=CC(C)(C)N1;CFECMSFZGOGOSG-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104012;MM104012;CC1C=CC(C)(C)O1;CMZLHZPVLJXGLB-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104013;MM104013;CN1CC(C)(C)C=N1;YDGDBQTTXLJDNM-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104014;MM104014;N=C(C=NO)NO;OPCMBKUMFSNCSY-UHFFFAOYSA-N;103.08;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104015;MM104015;CN1CC(C)(F)C=N1;CWKZBJBZXZYYNZ-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104016;MM104016;CN1CC(F)(F)C=N1;HDPWKVHWMXQTGH-UHFFFAOYSA-N;120.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104017;MM104017;CN1C=NC(C)(C)C1;JGAWJRUAJKSKHW-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104018;MM104018;Cc1[nH]c(N)c(O)c1C;UGAYWMWOJWOBIN-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104019;MM104019;C=C1C=CC(C)(C)C1;NPGWVYPERNYHAF-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104020;MM104020;CC1(C)C=CC(=O)C1;YVFVCSCZJJGBAK-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104021;MM104021;C=C1C=CC(C)(N)C1;QRCXJTPJTJETEW-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104022;MM104022;N=c1[nH]c(=NN)nco1;FCNUPZHNSFQRML-UHFFFAOYSA-N;127.11;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104023;MM104023;CC1(O)C=CC(=O)C1;WJLCIMIDDHOLGX-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104024;MM104024;C=C1C=CC(C)(F)C1;NCBZYMSZRLEBEI-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104025;MM104025;CC1(F)C=CC(=O)C1;LVJOXPPLKDVVAA-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104026;MM104026;C=C1C=CC(F)(F)C1;AQPOPXCEAKULDO-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104027;MM104027;O=C1C=CC(F)(F)C1;HCAAKIHMISGUPM-UHFFFAOYSA-N;118.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104028;MM104028;CC1(C)C=CC(=N)N1;GZIYVSDZNVTRBO-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104029;MM104029;CC1(C)C=CC(=O)N1;FNFBYBPLDWFKRP-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104030;MM104030;C=C1C=CC(C)(C)O1;LIVRVBYCIDFVKZ-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104031;MM104031;CC1(C)C=CC(=O)O1;YNKQMZRTPPVLLL-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104032;MM104032;CC1=CCC(C)(C)C1;CPUIRNMUUHFVRW-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104033;MM104033;CC1(C)CC=C(F)C1;ICBCWHQMVINTNP-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104034;MM104034;CC1=CCC(C)(N)C1;XCKCJPAAXHKMAF-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104035;MM104035;CC1(N)CC=C(F)C1;AUZYKOVUUZVBER-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104036;MM104036;N=C(N=CNC=O)NC=O;BCMOLSVJYXTQRF-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104037;MM104037;CC1(O)CC=C(F)C1;YWOGBPRQWGTUDR-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104038;MM104038;CC1=CCC(C)(F)C1;VYFLSWIUQRHYBZ-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104039;MM104039;CC1(F)CC=C(F)C1;QMMSWOXHXYXOOC-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104040;MM104040;CC1=CCC(F)(F)C1;AGKGGQWRSFRNOB-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104041;MM104041;FC1=CCC(F)(F)C1;YDTVGUKASKXYLE-UHFFFAOYSA-N;122.09;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104042;MM104042;CC1=NNC(C)(C)C1;MEVTUZFUVAZEPY-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104043;MM104043;CC1=COC(C)(C)C1;NIPHHMGADJGWBB-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104044;MM104044;CC1(C)CC(F)=CO1;FJKIKQAHBGNRNN-UHFFFAOYSA-N;116.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104045;MM104045;CC1=NOC(C)(C)C1;KZYQHSXURSPAAC-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104046;MM104046;CC1=NC(C)(C)CN1;WEQYSODKKBZSQT-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104047;MM104047;CC1=CCC(C)(C)O1;OLLPKIZMRLZULO-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104048;MM104048;CC1=COC(C)(C)O1;KCMRJJTTXAUWRT-UHFFFAOYSA-N;114.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104049;MM104049;CC1=NOC(C)(C)O1;JQXVQVDVSUGDTJ-UHFFFAOYSA-N;115.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104050;MM104050;CC1=CC(C)(C)CC1;WIOCDNGMFWXOCM-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104051;MM104051;CC1(C)C=C(F)CC1;TUFUDMYKEWWQOO-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104052;MM104052;CC1=CC(C)(N)CC1;CKZLEGGQIRKRRL-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104053;MM104053;CC1(N)C=C(F)CC1;GYWFWBRMORYOSA-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104054;MM104054;CCC(=O)OC(=NO)NN;PVCFYILUQIQPRO-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104055;MM104055;CC1(O)C=C(F)CC1;ZMUXTGCJXRNKKO-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104056;MM104056;CC1=CC(C)(F)CC1;RINVSRVEAWVQQW-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104057;MM104057;CC1(F)C=C(F)CC1;DDVGQYUKGWEWJB-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104058;MM104058;CC1=CC(F)(F)CC1;SXFRPYYFPFWOGF-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104059;MM104059;FC1=CC(F)(F)CC1;POEPEZIESAELGK-UHFFFAOYSA-N;122.09;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104060;MM104060;CC1=CC(C)(C)CO1;PFOCOISDHQQLFM-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104061;MM104061;CC1=CC(C)(N)CO1;OCVUOBUNTSMAPE-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104062;MM104062;CC1=CC(C)(O)CO1;GDOQHJCMJGUXSX-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104063;MM104063;CC1=CC(C)(F)CO1;SEYPXTBLATXHNY-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104064;MM104064;CC1=CC(F)(F)CO1;ZTLRPLFUEBVHQJ-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104065;MM104065;CC1=CC(C)(C)NC1;WRFYSMRWCXBKAD-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104066;MM104066;CC1(C)C=C(F)CN1;YKGSSNPKMXWRCP-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104067;MM104067;CC1=CC(C)(C)OC1;SVBBTSDNQKBPLS-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104068;MM104068;CC1(C)C=C(F)CO1;YDMHJZJXMNJDJW-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104069;MM104069;CC1=CC(C)(C)C=C1;DZMHYWDDJSETHE-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104070;MM104070;CC1(C)C=CC(F)=C1;RDGOVCZUWCTQGW-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104071;MM104071;CC1=CC(C)(N)C=C1;HRNUFPQUUQELLK-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104072;MM104072;CC1(N)C=CC(F)=C1;UVPQIQFMFQJQLL-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104073;MM104073;CC=CN=C(C=NO)NO;CMHQSOAAEXJGQU-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104074;MM104074;CC1(O)C=CC(F)=C1;KOXNYWGHWCRDRY-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104075;MM104075;CC1=CC(C)(F)C=C1;KNAXHUDFXMDDFN-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104076;MM104076;CC1(F)C=CC(F)=C1;CWKGAHLENRXJAO-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104077;MM104077;CC1=CC(F)(F)C=C1;WGKCPDIZRKCOSE-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104078;MM104078;FC1=CC(F)(F)C=C1;RYPMBHNVBILMJQ-UHFFFAOYSA-N;120.07;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104079;MM104079;CC1C(C)(C)C1(C)C;HZWWOIZNPKPEJN-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104080;MM104080;CC1(C)C(N)C1(C)C;KSAYLAYKWFYDET-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104081;MM104081;C=Cc1ncn(CC)c1O;ZTGZTSXWXQNUMZ-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104082;MM104082;CC1(C)C(F)C1(C)C;OFHCJXHJJSMRLC-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104083;MM104083;CC1C(C)(C)C1(C)N;TWYRYOFGENGSHJ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104084;MM104084;CC1(C)C(N)C1(C)N;ZXLOQKAPNYPHAF-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104085;MM104085;CC1(C)C(O)C1(C)N;CYVPBVPZWZRNOU-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104086;MM104086;CC1(C)C(F)C1(C)N;MYVNSLHEOHSIBC-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104087;MM104087;CC(F)=CN(C=N)C=NO;LSBFSBOLMOTVOB-UHFFFAOYSA-N;145.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104088;MM104088;CC1(C)C(N)C1(C)O;PXCYNORVCDPCTG-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104089;MM104089;CC1(C)C(O)C1(C)O;MHOJMHQKWZXZQU-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104090;MM104090;CC1(C)C(F)C1(C)O;CPRXWYNHBRGQKQ-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104091;MM104091;CC1C(C)(C)C1(C)F;WCDKJACJBJRUHA-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104092;MM104092;CC1(C)C(N)C1(C)F;RCKMGVFQAYLNLH-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104093;MM104093;CC1C(C)(C)C1(F)F;JFNUTFZQEVKOGS-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104094;MM104094;CC1C(C)(N)C1(C)N;DMPMABLUARSLIZ-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104095;MM104095;CC1(N)C(N)C1(C)N;JYGSBJJULHKPQD-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104096;MM104096;CC1(N)C(O)C1(C)N;ATQKJQZUZSHNJY-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104097;MM104097;CC1(N)C(N)C1(C)O;JSXHNLOHAVAYMH-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104098;MM104098;CC1(N)C(O)C1(C)O;UHWYSNZTTAPEOR-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104099;MM104099;CC1C(C)(N)C1(C)F;SSOCIZKFJVZUSW-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104100;MM104100;CC1C(C)(O)C1(C)O;AOXMMMUELILAPF-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104101;MM104101;CC1(O)C(N)C1(C)O;IKEOJCWHHPAODJ-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104102;MM104102;CC1C(C)(O)C1(C)F;CRKVWCPDBHWKOD-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104103;MM104103;CC1C(C)(O)C1(F)F;QYAPSAMZTXFHHK-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104104;MM104104;CC1C(C)(F)C1(C)F;TXGBLIOPIGABHG-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104105;MM104105;CC1C(C)(F)C1(F)F;XXXWNLCEOGZRFK-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104106;MM104106;CC1(C)CCC1(C)C;YNJCGEDVIOLRLB-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104107;MM104107;CC1(C)CCC1(C)N;LANXMVFTLJYFSK-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104108;MM104108;CNNC(=O)C(N)C(F)F;RVTSTPGVAHJSCZ-UHFFFAOYSA-N;153.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104109;MM104109;CC1(N)CCC1(C)N;HREDTIUMTDFIQW-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104110;MM104110;FC1(F)CCC1(F)F;AKQMZZOTFNLAQJ-UHFFFAOYSA-N;128.07;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104111;MM104111;CC1(C)CNC1(C)C;TXHIFFBQDXPZOA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104112;MM104112;CC1(N)CNC1(C)C;STCKMRAKXAWRNM-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104113;MM104113;CC1(C)COC1(C)C;JRWPCVWRZUVXSE-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104114;MM104114;CC1(N)COC1(C)C;PZIWURXPLSWJKD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104115;MM104115;CCC(C)CC(C)C;HDGQICNBXPAKLR-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104116;MM104116;CC(C)CC(C)CN;VSCUUONOAFHEOJ-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104117;MM104117;NN=C(NO)NC(=O)CO;FIALUPONHHZMPG-UHFFFAOYSA-N;148.12;-2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104118;MM104118;CC(C)CC(C)CF;FWOJDGDSTMFVJC-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104119;MM104119;CCC(C)CC(C)N;YAHRDLICUYEDAU-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104120;MM104120;CC(N)CC(C)CF;UEKULDWUROYIRM-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104121;MM104121;CC(=NO)C(CO)=C(N)N;NXECBFBGAYGUMJ-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104122;MM104122;CC(O)CC(C)CF;OTKBBXXWFJGVSW-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104123;MM104123;CCC(C)CC(C)F;CSKLPMXVQTWIHG-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104124;MM104124;CC(F)CC(C)CO;QMHMVYHUKIDVOS-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104125;MM104125;CC(F)CC(C)CF;UUHPRXLJKUURNR-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104126;MM104126;CCC(C)CC(F)F;IGFAYLVPVZKILX-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104127;MM104127;CC(CF)CC(F)F;VNMQJHJXZLEVFF-UHFFFAOYSA-N;126.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104128;MM104128;CCC(N)CC(C)C;TXSYUJZYRYMDQD-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104129;MM104129;CC(C)CC(N)CO;VPSSPAXIFBTOHY-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104130;MM104130;CC(C)CC(N)CF;MORSRJIIKSEDRC-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104131;MM104131;CC(N)CC(N)CN;MOGSSJJMBSGSML-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104132;MM104132;CC(N)CC(N)CO;SDXZWMAGSBSJOL-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104133;MM104133;CC(N)CC(N)CF;QSPPGKLHGWCGMX-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104134;MM104134;CC(O)CC(N)CN;BZHQPHPILNWFOQ-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104135;MM104135;CC(O)CC(N)CO;SWVUQZGXFBPETF-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104136;MM104136;CC(O)CC(N)CF;BTGYGSUGZSXDLQ-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104137;MM104137;CCC(N)CC(C)F;RUSHFXIJCJSHAI-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104138;MM104138;CC(F)CC(N)CO;QSAUWPFPIPYXBO-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104139;MM104139;NCC(N)CC(F)F;UNSPAEFAMRWRSS-UHFFFAOYSA-N;124.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104140;MM104140;NC(CO)CC(F)F;OYELFFAJRCUOTI-UHFFFAOYSA-N;125.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104141;MM104141;N=C1CC(=O)ON1;IXIVILZQGOUSLY-UHFFFAOYSA-N;100.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104142;MM104142;CC(C)CC(O)CO;AMOCOBXCNIBDMC-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104143;MM104143;CC(C)CC(O)CF;RONQQBGOAJWPHT-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104144;MM104144;CC(N)CC(O)CN;JPEHDFGCBLGFSN-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104145;MM104145;CC(N)CC(O)CO;YFBHVTQPFSQXFB-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104146;MM104146;CC(N)CC(O)CF;PRTYBTVLCAMCIA-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104147;MM104147;CC(O)CC(O)CN;FFDRIRXZGHHPSG-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104148;MM104148;CC(O)CC(O)CO;MOIOWCZVZKHQIC-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104149;MM104149;CCC(O)CC(C)F;XJPCCWCEAMDGKM-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104150;MM104150;CC(F)CC(O)CO;MBUOEGUPUAWRNL-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104151;MM104151;NCC(O)CC(F)F;OJENUAJBEUZZJX-UHFFFAOYSA-N;125.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104152;MM104152;OCC(O)CC(F)F;WAHXWFMNBPIHPV-UHFFFAOYSA-N;126.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104153;MM104153;CCC(F)CC(C)C;XYXGQBKNSOMEHY-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104154;MM104154;CC(C)CC(F)CO;ZFNTVJZUVCUSNP-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104155;MM104155;CC(C)CC(F)CF;VOAFMEYJNSNONX-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104156;MM104156;CC(N)CC(F)CN;WSSZXBMZTRWHIN-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104157;MM104157;CC(N)CC(F)CO;SSOPOUVWHMBHOP-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104158;MM104158;CCC(F)CC(C)O;XOMRCAAQBFHGAB-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104159;MM104159;CC(O)CC(F)CN;YBJQYMQYOPPGNB-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104160;MM104160;CC(O)CC(F)CO;DPBCTJCFLBSKNS-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104161;MM104161;CCC(F)CC(C)F;NCXYOFNHMVPNBK-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104162;MM104162;CC(F)CC(F)CF;QIAYZWZNLJQKSW-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104163;MM104163;FCC(F)CC(F)F;UBPFHEAQZLEAFX-UHFFFAOYSA-N;130.08;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104164;MM104164;CNC(C)CC(C)C;OJFLJUCXLKCIHU-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104165;MM104165;COC(C)CC(C)C;XOOBTEUBXZXNKK-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104166;MM104166;COC(C)CC(C)O;GXVDVJQTXFTVMP-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104167;MM104167;COC(C)CC(C)F;OWZPNZXOSJTZGR-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104168;MM104168;COC(C)CC(F)F;QOALBYMFWIYHAW-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104169;MM104169;CCC(C)NC(C)C;JYOCKIVAXFOJOK-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104170;MM104170;CC(C)NC(C)CF;AVMNVRWUJOXEEW-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104171;MM104171;CCC(C)OC(C)C;QHJLNXCHSKDYHR-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104172;MM104172;CC(C)OC(C)CN;MAPYCRDUDFPCEB-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104173;MM104173;CC(C)OC(C)CO;ZFEKANLLFQEKED-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104174;MM104174;CC(C)OC(C)CF;YUIYNJJQGGQEBY-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104175;MM104175;COC(C)OC(C)C;HMLRTDHMVKWTDO-UHFFFAOYSA-N;118.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104176;MM104176;CCC(C)CN(C)C;BHMZPPHMQJHCHQ-UHFFFAOYSA-N;115.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104177;MM104177;CC(CF)CN(C)C;JVLMNJRPVSWSPJ-UHFFFAOYSA-N;119.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104178;MM104178;CN(C)CC(N)CO;STUCHZYFEVRKGI-UHFFFAOYSA-N;118.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104179;MM104179;CN(C)CC(O)CN;QIDAFVGPTLOALB-UHFFFAOYSA-N;118.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104180;MM104180;CN(C)CC(O)CO;QCMHUGYTOGXZIW-UHFFFAOYSA-N;119.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104181;MM104181;CN(C)CC(O)CF;WOWVWQAQYXRIGU-UHFFFAOYSA-N;121.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104182;MM104182;CCN(C)CC(C)C;QQWXQKMVASVXCI-UHFFFAOYSA-N;115.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104183;MM104183;CCN(C)CC(F)F;XYASWYPKRJBXKX-UHFFFAOYSA-N;123.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104184;MM104184;C=CC(C)CC(C)C;FEZKAPRRVNNJTK-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104185;MM104185;CC(C)CC(C)C=O;GPTMCJMLSOIYGU-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104186;MM104186;CC(C)CC(C)C#N;COXCGWKSEPPDAA-UHFFFAOYSA-N;111.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104187;MM104187;C=CC(C)CC(C)N;BAMLNRFHUBPQNA-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104188;MM104188;COCONC(=N)C=NO;SILPCTVVZLOHJQ-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104189;MM104189;CC(O)CC(C)C=O;ZHZOUKIXPREHLS-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104190;MM104190;CC(O)CC(C)C#N;LQEFMYGEBZHVCM-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104191;MM104191;C=CC(C)CC(C)F;CJIWDFXZCZITCI-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104192;MM104192;CC(F)CC(C)C=O;TZPDSIHCSZVJAO-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104193;MM104193;CC(C#N)CC(F)F;WMUXZEPVYZEWPK-UHFFFAOYSA-N;119.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104194;MM104194;C=CC(N)CC(C)C;HENDYRJBRKDTRH-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104195;MM104195;C=CC(N)CC(C)F;OVBWQWBCXYDAAF-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104196;MM104196;C=CC(N)CC(F)F;WBVSUAIQFVHRPA-UHFFFAOYSA-N;121.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104197;MM104197;CC(=CC=NN)CC=NO;NRFPWWMLDIFMSO-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104198;MM104198;CC(C)CC(O)C#N;HAQDYBJHNGGTLI-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104199;MM104199;CC(O)CC(O)C#N;XGMCXVBHHRGPFF-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104200;MM104200;CC(F)CC(O)C#N;IVVRJSHXGVUJRM-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104201;MM104201;O=CC(O)CC(F)F;GRUCIGZWRDVJHD-UHFFFAOYSA-N;124.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104202;MM104202;C=CC(F)CC(C)C;ZINQFYBIRVLXJR-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104203;MM104203;CC(C)CC(F)C=O;HBPJTQIYLIPTIT-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104204;MM104204;CC(C)CC(F)C#N;NJVITWXXVCCUJR-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104205;MM104205;C=CC(F)CC(C)N;DJYMDQAXHQVCOI-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104206;MM104206;C=CC(F)CC(C)O;MXZMHFYSGNUPPG-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104207;MM104207;CC(O)CC(F)C=O;HRYUMYHNPMNXDA-UHFFFAOYSA-N;120.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104208;MM104208;C=CC(F)CC(C)F;PMRBBQDTAVUVNX-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104209;MM104209;CC(F)CC(F)C=O;ZAEURUWOBKHXDP-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104210;MM104210;C=CC(F)CC(F)F;WGZLXFZVVXIMEL-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104211;MM104211;C=CC(C)NC(C)C;VTMMWJZQLDTSFY-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104212;MM104212;C=CC(C)OC(C)C;KCDGEMLXZGFHBO-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104213;MM104213;CC(C)OC(C)C=O;AAPDVSFWBQNMLJ-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104214;MM104214;CC(C)OC(C)C#N;VTSOFYLZBJBSEL-UHFFFAOYSA-N;113.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104215;MM104215;C=CC(C)CN(C)C;MWONKLXBIJVQGN-UHFFFAOYSA-N;113.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104216;MM104216;CC(C)CN(C)C=N;UOMGPSKNYPNLGT-UHFFFAOYSA-N;114.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104217;MM104217;CC(C)CN(C)C=O;SNWYUIAZWLEXAD-UHFFFAOYSA-N;115.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104218;MM104218;CC(N)CN(C)C=N;NMFYTPJJWADVIB-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104219;MM104219;CC(N)CN(C)C=O;ARTBERKHEAITRP-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104220;MM104220;CC(O)CN(C)C=N;YIZQLPSCEBHOAV-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104221;MM104221;CC(O)CN(C)C=O;BMYBBGMVRHGUJW-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104222;MM104222;CC(F)CN(C)C=O;BXQXORGBOCNBSZ-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104223;MM104223;CN(C=N)CC(F)F;QEYJRMUKKNICHK-UHFFFAOYSA-N;122.12;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104224;MM104224;CC(O)CN(N)C=N;MXIZRNWKSSYXMK-UHFFFAOYSA-N;117.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104225;MM104225;N=CN(C=NO)C(=N)CO;YJRHESBTNJGYOG-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104226;MM104226;CC(F)CN(N)C=N;XTTQQNDKSUGOMW-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104227;MM104227;CC(F)CN(N)C=O;FKHRXIANMOOQRG-UHFFFAOYSA-N;120.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104228;MM104228;CC(N)CN(O)C=N;IZQSIIFQLKGMPL-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104229;MM104229;C=NN(C)CC(C)N;CKPAEJXXJUIJHM-UHFFFAOYSA-N;115.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104230;MM104230;C=NN(C)CC(C)F;XVGUYXHUDDTAJS-UHFFFAOYSA-N;118.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104231;MM104231;C=NN(C)CC(F)F;AHSQSCFKWLJCEQ-UHFFFAOYSA-N;122.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104232;MM104232;CC(C)ON(C)C=O;KIDFGOXXPDRDLE-UHFFFAOYSA-N;117.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104233;MM104233;C#CC(C)CC(C)C;OMKSPQSURAIMIF-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104234;MM104234;C#CC(C)CC(C)N;SNRAXRIQGZFWGV-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104235;MM104235;C=CC(CN1CC1C)=NO;VUBCPVWPTANERN-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104236;MM104236;C#CC(C)CC(C)F;JXRVICDTFVRWRO-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104237;MM104237;C#CC(C)CC(F)F;LNCNRATYWSCMOD-UHFFFAOYSA-N;118.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104238;MM104238;C#CC(N)CC(C)C;KMCJPSCNDXXAQJ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104239;MM104239;C#CC(N)CC(C)O;CIGFURATWIDDBB-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104240;MM104240;C#CC(O)CC(C)C;NTNUBJHPRAMQPC-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104241;MM104241;C#CC(O)CC(C)N;IGMXGAYUHQZHJK-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104242;MM104242;C#CC(O)CC(C)O;AUWSJMRLOVFRAJ-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104243;MM104243;C#CC(O)CC(C)F;TYAJLQMFZYQVLT-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104244;MM104244;C#CC(F)CC(C)C;IFFFOLMXNNKQCE-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104245;MM104245;C#CC(F)CC(C)F;BIIQXVPSGGMBSJ-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104246;MM104246;C#CC(F)CC(F)F;LKIBSNDWBUICAI-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104247;MM104247;C#CC(C)OC(C)C;VYOQQWOJAYMPJE-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104248;MM104248;C#CC(C)CN(C)C;VZGIKAOCABBDNH-UHFFFAOYSA-N;111.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104249;MM104249;C#CC(N)CN(C)C;WIZUAYCPFRCAMD-UHFFFAOYSA-N;112.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104250;MM104250;C#CC(O)CN(C)C;DUOCFFVVUKGFQU-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104251;MM104251;C=C(C)CC(C)CC;PKVDGQHNRICJLA-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104252;MM104252;C=C(C)CC(C)CN;GMSSKKINLQGNJJ-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104253;MM104253;N=C1NC(=NO)CO1;PKHIHVOUUXVFCM-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104254;MM104254;C=C(C)CC(C)CF;JWPPBJNUQYZXDK-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104255;MM104255;CCC(C)CC(C)=O;XUPXMIAWKPTZLZ-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104256;MM104256;CC(=O)CC(C)CF;DHKDJYSUJSMDHT-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104257;MM104257;CCC(C)CC(=N)N;MONVAZUNBHXPRN-UHFFFAOYSA-N;114.19;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104258;MM104258;CC(F)C(N)=CC=NO;FWTDKGVREYMRDC-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104259;MM104259;CC(CN)CC(N)=O;WRVGHPYSKSHFTC-UHFFFAOYSA-N;116.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104260;MM104260;CCC(C)CC(=O)O;IGIDLTISMCAULB-UHFFFAOYSA-N;116.16;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104261;MM104261;C=C(F)CC(C)CC;PVDOXXHOHCXNNN-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104262;MM104262;C=C(F)CC(C)CO;KJZGOPOMGMZWSR-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104263;MM104263;C=C(F)CC(C)CF;VIQHTCIVJPCJPZ-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104264;MM104264;C=C(C)CC(N)CC;YTSZKPKVOZJHMB-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104265;MM104265;C=C(C)CC(N)CF;LEPSGZZKXAIDPF-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104266;MM104266;CCC(N)CC(=N)N;JIYUVYWEUJVNPU-UHFFFAOYSA-N;115.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104267;MM104267;N=C(N)CC(N)CN;HNAACQPNRYEAPF-UHFFFAOYSA-N;116.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104268;MM104268;N=C(N)CC(N)CO;VWWALCKRDBNCSZ-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104269;MM104269;N=C(N)CC(N)CF;YAXKOKPMTUVECQ-UHFFFAOYSA-N;119.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104270;MM104270;CCC(N)CC(N)=O;SKLRWTXMQKPJMH-UHFFFAOYSA-N;116.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104271;MM104271;NCC(N)CC(N)=O;PCNYNMLBCLAPAV-UHFFFAOYSA-N;117.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104272;MM104272;NC(=O)CC(N)CO;QCZJFMXMDLPIAN-UHFFFAOYSA-N;118.14;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104273;MM104273;C=C(F)CC(N)CC;XQWSWZVAKJPTDQ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104274;MM104274;C=C(F)CC(N)CF;SYRILYCWHZOIBF-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104275;MM104275;N=C(CF)N(N)C=NO;DLXMJHYUGTWFGQ-UHFFFAOYSA-N;134.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104276;MM104276;C=C(C)CC(O)CF;AMQVASRYFPZNBB-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104277;MM104277;CC(=O)CC(O)CO;NJUQBPDKVORANW-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104278;MM104278;N=C(N)CC(O)CN;SFBFUOVMTQQWEM-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104279;MM104279;N=C(N)CC(O)CO;DNSLRFBKWCBBQO-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104280;MM104280;N=C(N)CC(O)CF;QMOHGUGEUGZAFK-UHFFFAOYSA-N;120.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104281;MM104281;NCC(O)CC(N)=O;VNVOVOGNNMKSTF-UHFFFAOYSA-N;118.14;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104282;MM104282;NC(=O)CC(O)CO;WPOHUQOEJUSLGO-UHFFFAOYSA-N;119.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104283;MM104283;NC(=O)CC(O)CF;OIJNLIGUALSTLT-UHFFFAOYSA-N;121.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104284;MM104284;CC1C(=O)NC(=O)C1=O;GCBBNZMGBGENSY-UHFFFAOYSA-N;127.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104285;MM104285;Cc1c(F)c(=O)n(O)n1C;OHFDEFUZISQRRQ-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104286;MM104286;C=CN(C=O)C(C=O)C=O;WEECTTILYKKJPC-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104287;MM104287;C=C(F)CC(O)CC;ZXUYXBBVLHOXJO-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104288;MM104288;C=C(F)CC(O)CN;YZYWUJJVRPORHC-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104289;MM104289;C=C(F)CC(O)CO;GGIANODOHKJNST-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104290;MM104290;C=C(F)CC(O)CF;IKJJEQDYYQZOQA-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104291;MM104291;C=C(C)CC(F)CC;OYNCGBZJIRPFBG-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104292;MM104292;CCC(F)CC(C)=O;MMFXADDVMANSBD-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104293;MM104293;N=C(N)CC(F)CN;AASSGDUHUJKGRR-UHFFFAOYSA-N;119.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104294;MM104294;N=C(N)CC(F)CO;GMLQXHRAIZGUNK-UHFFFAOYSA-N;120.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104295;MM104295;NCC(F)CC(N)=O;IQHBZPAKKZVXMP-UHFFFAOYSA-N;120.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104296;MM104296;NC(=O)CC(F)CO;DAKCOFVAJFZLPG-UHFFFAOYSA-N;121.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104297;MM104297;C#Cc1cc(=O)n(O)n1O;WPGWNGXLCYMMAW-UHFFFAOYSA-N;140.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104298;MM104298;C=C(F)CC(F)CC;KGRVINSYBPSHOK-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104299;MM104299;C=C(F)CC(F)CO;ZNIOBAKSJBLVHZ-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104300;MM104300;C=C(F)CC(F)CF;RGMNVTBJPOQNLE-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104301;MM104301;CNC(C)CC(C)=O;ZZNHGYWZZHEEDY-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104302;MM104302;CNC(C)CC(=N)N;MXHJRWGAXIPKJQ-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104303;MM104303;CNC(C)CC(N)=O;ZCCUVFCTQSVYRF-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104304;MM104304;C=C(C)CC(C)OC;MUHJFNHQQPRMQB-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104305;MM104305;COC(C)CC(C)=O;BNEZGZQZWFYHTI-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104306;MM104306;COC(C)CC(=N)N;MFDGSUMWDZBEAL-UHFFFAOYSA-N;116.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104307;MM104307;COC(C)CC(N)=O;VFPWOMLXNMBLCA-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104308;MM104308;C=C(F)CC(C)OC;QHBBZBQTHIIBDO-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104309;MM104309;Cc1nc(C)n(N)c1O;INJXIHVIGPYDPD-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104310;MM104310;CC(=O)NC(C)CN;IGIJDAVPCAUGCU-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104311;MM104311;CC(CN)NC(=N)N;UJBYJDDYOVEIGI-UHFFFAOYSA-N;116.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104312;MM104312;CC(CO)NC(=N)N;UJHRDKSPSDMKCL-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104313;MM104313;CC(CN)NC(N)=O;KQDLQIKOYJOAPY-UHFFFAOYSA-N;117.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104314;MM104314;CC(CO)NC(N)=O;VWTQLUCNKSRFLU-UHFFFAOYSA-N;118.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104315;MM104315;CC(CF)NC(N)=O;IDFWCKUBMWESDK-UHFFFAOYSA-N;120.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104316;MM104316;C=C(C)OC(C)CC;UIJJPFMDFRMRPD-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104317;MM104317;C=C(C)OC(C)CN;RKOWQFGANXXYGY-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104318;MM104318;C=C(C)OC(C)CO;QPDVWWAEEPYCHC-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104319;MM104319;C=C(C)OC(C)CF;SYGZIAQECFUEFO-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104320;MM104320;CCC(C)OC(C)=O;DCKVNWZUADLDEH-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104321;MM104321;CC(=O)OC(C)CO;YJNKLTDJZSXVHQ-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104322;MM104322;CC(=O)OC(C)CF;LFZKTMPUDQZWKL-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104323;MM104323;CCC(C)OC(=N)N;ZATBCWVLEGDZPC-UHFFFAOYSA-N;116.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104324;MM104324;CC(CN)OC(=N)N;DKTXNXNUWCBCRE-UHFFFAOYSA-N;117.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104325;MM104325;CC(CO)OC(=N)N;CAMPPQMNIXTDDU-UHFFFAOYSA-N;118.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104326;MM104326;CCC(C)OC(N)=O;ASSQXZCUYOADEH-UHFFFAOYSA-N;117.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104327;MM104327;CC(CN)OC(N)=O;JWRHDGMZGMBHCG-UHFFFAOYSA-N;118.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104328;MM104328;C=C(C)OC(C)OC;XVYBXUILOSKBHA-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104329;MM104329;COC(C)OC(N)=O;JXBPDJIBFPFVSY-UHFFFAOYSA-N;119.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104330;MM104330;CCN(C)CC(=N)N;RUBAYGALHDSBLB-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104331;MM104331;CCN(C)NC(C)=N;VNILQORHESUISK-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104332;MM104332;CCN(C)NC(=N)N;TYKJWZZWDQIDDG-UHFFFAOYSA-N;116.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104333;MM104333;C=CC(C)CC(=C)C;AOROGCCGDATQAN-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104334;MM104334;C=C(C)CC(C)C#N;MXVRFPSJYIKHQF-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104335;MM104335;C=CC(C)CC(C)=O;MXGGBUKCVFGCAG-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104336;MM104336;CC(C=O)CC(N)=O;RDAZMYSTPBQWCU-UHFFFAOYSA-N;115.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104337;MM104337;C=CC(C)CC(=O)O;QNPZXLANENFTFK-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104338;MM104338;C=CC(C)CC(=C)F;ZLVZPSXPCMEOHY-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104339;MM104339;C=C(F)CC(C)C#N;NVLKCBXTPZZCMW-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104340;MM104340;C=CC(N)CC(=C)C;FSRQFOPVIUUKEC-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104341;MM104341;C=CC(N)CC(=N)N;VHWSVBQHAQTSIO-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104342;MM104342;C=CC(N)CC(N)=O;NJYYQUYELAASMZ-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104343;MM104343;C=CC(N)CC(=C)F;FKODRSWMYWGDLM-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104344;MM104344;C=COc1ncc(C)[nH]1;SUTVERGRFUJFGT-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104345;MM104345;C=C(C)CC(O)C#N;VPCSMXLDJRAZAE-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104346;MM104346;CC(=O)CC(O)C=O;HCYOZMCXBJMIRA-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104347;MM104347;C=CC(O)CC(=N)N;FETJMUGNVHKIJJ-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104348;MM104348;N=C(N)CC(O)C=O;VMXNELYSLNDTIC-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104349;MM104349;N#CC(O)CC(=N)N;DKLMIEPTKAXKMB-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104350;MM104350;C=CC(O)CC(N)=O;IXWIRUGWQIEILP-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104351;MM104351;NC(=O)CC(O)C=O;XVHZJBNIBMAPPU-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104352;MM104352;N#CC(O)CC(N)=O;GIKFLCHIFSBFSL-UHFFFAOYSA-N;114.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104353;MM104353;Cc1c(O)n(O)oc1=NO;JEIMXROPMCLXCU-UHFFFAOYSA-N;146.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104354;MM104354;OCc1occ(O)c1O;SOARFBLZFDUMJR-UHFFFAOYSA-N;130.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104355;MM104355;C=CC(F)CC(=C)C;VBBJIJJRFOGGGX-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104356;MM104356;N=C(N)CC(F)C=O;CYNKNLIKXKSJFU-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104357;MM104357;NC(=O)CC(F)C=O;NLHKAYKEGPGBIH-UHFFFAOYSA-N;119.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104358;MM104358;C=CC(F)CC(=C)F;MTHKEYDZZXFGBG-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104359;MM104359;C=C(F)CC(F)C=O;ZUPYNLAINLUUAH-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104360;MM104360;C=C(F)CC(F)C#N;LALFYAKHGYLRTM-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104361;MM104361;C=CC(C)NC(C)=N;YJSSKVKJVJCKHB-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104362;MM104362;CC(=N)NC(C)C#N;CTYNAZKMUOLNTP-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104363;MM104363;C=CC(C)NC(C)=O;PXZJKQBKBOBVEE-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104364;MM104364;CC(=O)NC(C)C=O;HVEBGTPGPHIUJN-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104365;MM104365;CC(=O)NC(C)C#N;BMCRVGWYOKWDBO-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104366;MM104366;CC(C=O)NC(=N)N;XSGRBYIWPZWZPL-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104367;MM104367;CC(C#N)NC(=N)N;AGNWCFFJNYWLEK-UHFFFAOYSA-N;112.14;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104368;MM104368;CC(C=O)NC(N)=O;GMSKHXBAHLYELG-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104369;MM104369;CC(C#N)NC(N)=O;YLYPNSSIEICLKZ-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104370;MM104370;C=CC(C)OC(=C)C;KGBJOAOEODKCDH-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104371;MM104371;C=C(C)OC(C)C=O;NYXWBHRSFBZCPG-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104372;MM104372;C=C(C)OC(C)C#N;DBHGQFPADMFHPM-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104373;MM104373;C=CC(C)OC(C)=O;LYWCPTCPTWCZSZ-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104374;MM104374;CC(C=O)OC(=N)N;JBGXDCPPOILYIZ-UHFFFAOYSA-N;116.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104375;MM104375;C=CC(C)OC(N)=O;HNRVLMLGDWICGN-UHFFFAOYSA-N;115.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104376;MM104376;C=C(C)CN(C)C=N;SGNGLXLSTZRLHL-UHFFFAOYSA-N;112.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104377;MM104377;C=C(C)CN(C)C=O;KXLJJDUCKIRTHB-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104378;MM104378;CN(C=N)CC(=N)N;JVTPDDZQVFLPTQ-UHFFFAOYSA-N;114.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104379;MM104379;CN(C=O)CC(=N)N;SYQUHCUMDPNHNG-UHFFFAOYSA-N;115.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104380;MM104380;CN(C=N)CC(N)=O;LUESOIGLYNKJRT-UHFFFAOYSA-N;115.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104381;MM104381;CN(C=O)CC(N)=O;LUWJRNYRUYLEFR-UHFFFAOYSA-N;116.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104382;MM104382;O=COC(CO)=NO;SLIBYPBQUUTAPB-UHFFFAOYSA-N;119.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104383;MM104383;N=CN(N)CC(=N)N;GPRVQSLUNCBTED-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104384;MM104384;N=C(N)CN(N)C=O;ZINIUKWIUHDZHE-UHFFFAOYSA-N;116.12;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104385;MM104385;ON=C1CNC(=NO)N1;KZVZSYIBGRJJNX-UHFFFAOYSA-N;130.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104386;MM104386;N=CN(O)CC(=N)N;NFJMDKCVDSHGCE-UHFFFAOYSA-N;116.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104387;MM104387;C=NN(C)CC(=N)N;QWPQFBJRCMHHNN-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104388;MM104388;C=NNCC(=NO)N(C)C;DXCNKHYHKTZKDC-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104389;MM104389;N#CC(CC1CC1)=NO;JAWMIOPRUOAGGP-UHFFFAOYSA-N;124.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104390;MM104390;C=NN(C)CC(=C)F;JWZNCEVZRDXPOG-UHFFFAOYSA-N;116.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104391;MM104391;CC(=N)NN(C)C=N;IUVUXUBAHLFSFG-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104392;MM104392;CC(=N)NN(C)C=O;RBHOHCBJZOOGHS-UHFFFAOYSA-N;115.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104393;MM104393;CC(=O)NN(C)C=N;MSNBYVOZGCBJGN-UHFFFAOYSA-N;115.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104394;MM104394;CC(=O)NN(C)C=O;UUCNZNQCJLRAKF-UHFFFAOYSA-N;116.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104395;MM104395;CN(C=O)NC(=N)N;ZBRYLQGIHGKVRX-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104396;MM104396;CN(C=N)NC(N)=O;VOAUXKYFZGLAFK-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104397;MM104397;CN(C=O)NC(N)=O;BLTQQANRUAEYNI-UHFFFAOYSA-N;117.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104398;MM104398;C#CC(C)CC(=C)C;PSBRMEOSIODQJZ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104399;MM104399;C#CC(C)CC(C)=O;YDDORDUHFZIVCR-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104400;MM104400;C#CC(C)CC(=C)F;IMLCXDZXFJWKLI-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104401;MM104401;C#CC(N)CC(=C)C;MMRLITOVHWRKGW-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104402;MM104402;C#CC(N)CC(=N)N;BGULBQBYKFCOHS-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104403;MM104403;C#CC(N)CC(=C)F;BCRICPUAYDLVJN-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104404;MM104404;C#CC(O)CC(=C)C;XKKTUTJEXYTHNY-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104405;MM104405;C#CC(O)CC(=N)N;SBMUQFVEJIRPHL-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104406;MM104406;C#CC(O)CC(N)=O;CKKDRIBDBNFZRR-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104407;MM104407;COC(CC(F)(F)F)=NO;ONMQALSBXFZGIE-UHFFFAOYSA-N;157.09;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104408;MM104408;C#CC(F)CC(=C)C;YGSAGKBQPAOFEI-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104409;MM104409;C#CC(F)CC(=N)N;RPAJFMHHDMLBME-UHFFFAOYSA-N;114.12;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104410;MM104410;C#CC(F)CC(N)=O;KAKRNXJWEFRONR-UHFFFAOYSA-N;115.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104411;MM104411;C#CC(F)CC(=C)F;RQDDPORHJUCYPM-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104412;MM104412;C#CC(C)NC(=N)N;VPLCGZRPGVDORN-UHFFFAOYSA-N;111.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104413;MM104413;C#CC(C)NC(N)=O;KCAHUJRLXDOACD-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104414;MM104414;C#CC(C)OC(=C)C;JEAAHLLPNHNCKZ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104415;MM104415;C#CC(C)OC(C)=O;VYZUMTMOIBTDEL-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104416;MM104416;C#CC(C)OC(=N)N;AQFOINDFDFPHQO-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104417;MM104417;C=C(CC)CC(C)C;TVBQWTDYXVGWJL-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104418;MM104418;C=C(CN)CC(C)C;RJJAQZKBRCCKDW-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104419;MM104419;C=C(CO)CC(C)C;BCCGLFNYAVNCOM-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104420;MM104420;C=C(CF)CC(C)C;QLZDRRYUDSSMDK-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104421;MM104421;C=C(CC)CC(C)N;UKKWWOAKOXLEGU-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104422;MM104422;C=C(CF)CC(C)N;ZKKUENBHSHHIPO-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104423;MM104423;ON=CNN=C(NO)NO;YXFGFQRTKDEYKS-UHFFFAOYSA-N;149.11;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104424;MM104424;C=C(CO)CC(C)O;BNHFXUGPCMLUSH-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104425;MM104425;C=C(CF)CC(C)O;YMTVRTNYLBWYJB-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104426;MM104426;C=C(CC)CC(C)F;YLZRXFCLOYWXDA-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104427;MM104427;C=C(CN)CC(C)F;YZMDUGVIHLVGIS-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104428;MM104428;C=C(CF)CC(C)F;KQLYLJRJEJAVGZ-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104429;MM104429;C=C(CC)CC(F)F;WPPMSESTLBLXLM-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104430;MM104430;C=C(CF)CC(F)F;ZWSLIXAKWSFAQM-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104431;MM104431;CCC(=O)CC(C)C;DXVYLFHTJZWTRF-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104432;MM104432;CC(C)CC(=O)CF;UZOXVNRFVMVFIL-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104433;MM104433;CC(O)CC(=O)CO;XLDKDOKPMNKVMP-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104434;MM104434;CC(O)CC(=O)CF;SRFKZIRQZPQABP-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104435;MM104435;CCC(=O)CC(C)F;ZYTBYEBBPFQRNG-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104436;MM104436;CC(F)CC(=O)CF;TUALBCPXTWAMCX-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104437;MM104437;CCC(=O)CC(F)F;ULAFVWYMRBXQNM-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104438;MM104438;CNC(=N)CC(C)C;LMOKNILPCIJDST-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104439;MM104439;CC(C)CC(=N)NO;INTHNGLOSGQQNK-UHFFFAOYSA-N;116.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104440;MM104440;CNC(=N)CC(C)N;HCNWNRMFJRUZFT-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104441;MM104441;CC(N)CC(=N)NO;DEHWGLHBJIDNSE-UHFFFAOYSA-N;117.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104442;MM104442;CNC(=N)CC(C)O;UEORAJZBCSBILO-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104443;MM104443;CC(O)CC(=N)NN;IZUZJZAUZHZEJP-UHFFFAOYSA-N;117.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104444;MM104444;CC(O)CC(=N)NO;ZQQFGDIJTQTKRO-UHFFFAOYSA-N;118.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104445;MM104445;CC(F)CC(=N)NN;SVKHIGDWTWOYLA-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104446;MM104446;CC(F)CC(=N)NO;NKXHJNSQLSBMDH-UHFFFAOYSA-N;120.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104447;MM104447;ON=C1CCC(=NO)NC1;HVUHXEWAQNRNQN-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104448;MM104448;CNC(=O)CC(C)N;AMELKRLHOQGFSI-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104449;MM104449;CC(N)CC(=O)NO;QMFFTUKBEIKMFT-UHFFFAOYSA-N;118.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104450;MM104450;CNC(=O)CC(C)O;GYZAVDBKZLHXCG-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104451;MM104451;CNN(C=NO)C=NO;NMDPNRBHURQGBF-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104452;MM104452;CC(O)CC(=O)NO;USVHRRMLTPRVFR-UHFFFAOYSA-N;119.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104453;MM104453;CNC1=NC(C)C(=O)N1;DBUZGNOYTMLRTK-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104454;MM104454;CC(F)CC(=O)NO;WQBKHWVOUXUURG-UHFFFAOYSA-N;121.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104455;MM104455;NNC(=O)CC(F)F;HVWKDYOHQRAJQT-UHFFFAOYSA-N;124.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104456;MM104456;O=C(CC(F)F)NO;TYQHFIUWHDLMAU-UHFFFAOYSA-N;125.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104457;MM104457;C=C(CC(C)C)OC;UMNBAOUYVWEPKA-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104458;MM104458;C=C(CC(C)N)OC;VJVQOFHHUFEQSN-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104459;MM104459;C=C(CC(C)O)OC;PEKFWVUQZOFQSV-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104460;MM104460;C=C(CC(C)F)OC;BBYFAPGDCIKXQQ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104461;MM104461;C=C(CC(F)F)OC;SFEADNBZLLJXRE-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104462;MM104462;COC(=O)CC(C)C;OQAGVSWESNCJJT-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104463;MM104463;CCC(=N)NC(C)C;LLFMSUFPEWOVPH-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104464;MM104464;CC(C)NC(=N)CN;GTSRPGRKBPDOAU-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104465;MM104465;C=Cn1cnc(C)c1O;BGOVJKVRAQXNIP-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104466;MM104466;CC(C)(C=NO)CC=NN;ACVWRZHZMMLCNB-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104467;MM104467;CC(C)NC(=O)NO;UFONIIMWDPYKDX-UHFFFAOYSA-N;118.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104468;MM104468;C=C(CC)OC(C)C;PMQJJWKAAKSZQX-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104469;MM104469;C=C(CO)OC(C)C;FQHHNWVPHLCUTC-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104470;MM104470;C=C(CF)OC(C)C;ZCEIFCWRQUQSJT-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104471;MM104471;CCC(=O)OC(C)C;IJMWOMHMDSDKGK-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104472;MM104472;CC(C)OC(=O)CF;HERCSPPGAAQXBN-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104473;MM104473;CNC(=N)OC(C)C;BGLORSKQYKUUHR-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104474;MM104474;C=C(CC)CN(C)C;CVEMVWLAWMOEED-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104475;MM104475;C=C(CN)CN(C)C;XZSNKPGIEVCNTK-UHFFFAOYSA-N;114.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104476;MM104476;CNC(=N)CN(C)C;WJYUDTZXQLXXHZ-UHFFFAOYSA-N;115.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104477;MM104477;CN(C)CC(=N)NN;LCBJMULRDOHOLB-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104478;MM104478;CN(C)CC(=N)NO;XTDHXKQOPRQCKF-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104479;MM104479;CCC(=N)NN(C)C;LQRIBNFYRHAOLW-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104480;MM104480;CN(C)NC(=N)CN;RLDZHZJVSPOMJV-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104481;MM104481;CN(C)NC(=N)CO;MIYQGUZTUFTHOM-UHFFFAOYSA-N;117.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104482;MM104482;NN(C=NO)CC=C(F)F;AQZVMBPJKOQFGY-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104483;MM104483;CN(C)NC(=O)CO;ZEFHPNWCNRMKNA-UHFFFAOYSA-N;118.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104484;MM104484;CN(C)NC(=N)NN;AEODZKIMFLPOAQ-UHFFFAOYSA-N;117.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104485;MM104485;CN(C)NC(=N)NO;ALNGHPKWCUJFLZ-UHFFFAOYSA-N;118.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104486;MM104486;NC(=NO)C1CC1(O)C=O;AENVIYNGGXSUQA-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104487;MM104487;COC(=O)NN(C)C;FIIUEQHFIPBMBP-UHFFFAOYSA-N;118.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104488;MM104488;C=CC(=C)CC(C)C;YSMILAGDDJPNAC-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104489;MM104489;C=C(C=O)CC(C)C;LRKKUGXSKGITAS-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104490;MM104490;C=C(C#N)CC(C)C;PKNTXEJOWDTDLN-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104491;MM104491;C=CC(=C)CC(C)N;CYQPMRPDJNCIAL-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104492;MM104492;NN=c1[nH]cc(N=O)n1N;BHPTUOBVKIAYOO-UHFFFAOYSA-N;142.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104493;MM104493;C=C(C=O)CC(C)O;RBFCPQKDVVXXSF-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104494;MM104494;C=C(C#N)CC(C)O;SSCDBXZBKVMZDL-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104495;MM104495;C=CC(=C)CC(C)F;IFORJAOWQAWTIT-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104496;MM104496;C=C(C#N)CC(C)F;RCTQHFPEVMOSQZ-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104497;MM104497;C=CC(=C)CC(F)F;DKNYNFXHFMEAES-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104498;MM104498;CC(C)CC(=O)C#N;UYCTVHPXUZNWSQ-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104499;MM104499;C=CC(=O)CC(C)O;HITSNFYKQQFUCL-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104500;MM104500;CC(O)CC(=O)C=O;NSUJYXKDWVMPFQ-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104501;MM104501;O=CC(=O)CC(F)F;BWVWRFDVUFSZOE-UHFFFAOYSA-N;122.07;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104502;MM104502;N#CC(=O)CC(F)F;CXZZVWHINGPWCK-UHFFFAOYSA-N;119.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104503;MM104503;CC1N=CNC1=O;UZPOBNROAJNYOQ-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104504;MM104504;C=CC(=C)OC(C)C;YZFKPVYTPYYLDF-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104505;MM104505;C=C(C=O)OC(C)C;GLHKZMVCKLRZAB-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104506;MM104506;C=C(C#N)OC(C)C;PHWZUIGIDFKUTG-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104507;MM104507;C=CC(=O)OC(C)C;LYBIZMNPXTXVMV-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104508;MM104508;C=CC(=C)CN(C)C;FOLGYNXRZXYUDT-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104509;MM104509;N=C1NCC(=O)N1N;ZZTIPMXYHJZZDL-UHFFFAOYSA-N;114.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104510;MM104510;C=CC(=N)NN(C)C;DHUDGAUFXCUTBR-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104511;MM104511;CC1N=CN(C)C1=O;INYLEXJLSSULDS-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104512;MM104512;N=C(C=NO)NC=NO;IBQYZHVWFVWXLP-UHFFFAOYSA-N;130.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104513;MM104513;C#CC(=C)CC(C)C;XJBGJIHHXFXOFJ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104514;MM104514;C#CC(=C)CC(C)N;FVAIBHCKWQLMTP-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104515;MM104515;CC(N)=C(C=NO)CO;VAHKJJMSKCWIBC-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104516;MM104516;C#CC(=C)CC(C)F;JIGQKEQDLAHDKB-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104517;MM104517;C#CC(=C)CC(F)F;XYJMUMOEAXBIDW-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104518;MM104518;C#CC(=O)CC(C)C;BWHPZOCATNXQGI-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104519;MM104519;C#CC(=O)CC(C)F;KJLCXDZJBJOXIM-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104520;MM104520;C#CC(=O)CC(F)F;FKQKMPWUQDMPCQ-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104521;MM104521;C#CC(=C)OC(C)C;IMYZJGQGHWZGGG-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104522;MM104522;C#CC(=N)NN(C)C;GPSUNPOKBZVGRV-UHFFFAOYSA-N;111.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104523;MM104523;C=C(C)CC(=C)CC;ASSRMVWOYGTHBP-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104524;MM104524;C=C(C)CC(=C)CN;AZENSDNVNMGIPT-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104525;MM104525;C=C(C)CC(=C)CF;NHIYHLMFSRNQRB-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104526;MM104526;C=C(CC)CC(C)=O;NKWCGXPJYDDZBG-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104527;MM104527;C=C(CN)CC(=N)N;WASMHFQFAXSJLM-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104528;MM104528;C=C(CN)CC(N)=O;ZURWLSTUPQWZLD-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104529;MM104529;C=C(CO)CC(N)=O;OEFXXOMRWIQIKS-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104530;MM104530;C=C(CF)CC(N)=O;OSTGFHXUMGAZSO-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104531;MM104531;C=C(CC)CC(=O)O;QNBQEGDJYNYFSU-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104532;MM104532;C=C(F)CC(=C)CC;VPZQQOSUGDIBKM-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104533;MM104533;C=C(F)CC(=C)CN;NCNODYYJCNZQTJ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104534;MM104534;C=C(F)CC(=C)CO;ZGGFCOIEVPFYDD-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104535;MM104535;C=C(F)CC(=C)CF;AFQSBQWGOSTVLG-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104536;MM104536;C=C(C)CC(=O)CC;DZXCXVGFJXVEKW-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104537;MM104537;C=C(C)CC(=O)CF;JWLQITKJVDMFIT-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104538;MM104538;CC(=O)CC(=O)CO;VBUBLWCIADYRMB-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104539;MM104539;N=C(N)CC(=O)CO;LUVBZGOWPGLMKH-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104540;MM104540;CCC(=O)CC(N)=O;FMWHPEKDAPOYOE-UHFFFAOYSA-N;115.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104541;MM104541;NC(=O)CC(=O)CO;YFQYQJHVGJWTQE-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104542;MM104542;NC(=O)CC(=O)CF;PCLIVHJYQUDFAQ-UHFFFAOYSA-N;119.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104543;MM104543;C=C(F)CC(=O)CC;RATLORLDEBXEKC-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104544;MM104544;C=C(F)CC(=O)CF;QOOPGTGMEDDNQX-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104545;MM104545;C=C(C)CC(=N)NN;DYTQTNUINVQLAN-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104546;MM104546;C=C(C)CC(=N)NO;WCYOOZUZYMIZMJ-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104547;MM104547;CN=C(N)CC(C)=O;XBPHJKLQOJWTKB-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104548;MM104548;CNC(=N)CC(=N)N;BLBUHNVNNOTSTA-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104549;MM104549;N=C(N)CC(=N)NN;UZNRSHOEWLUPFA-UHFFFAOYSA-N;115.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104550;MM104550;N=C(N)CC(=N)NO;APFQFBAYBJATDS-UHFFFAOYSA-N;116.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104551;MM104551;CN=C(N)CC(N)=O;WGMCKPKYQMNCDA-UHFFFAOYSA-N;115.14;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104552;MM104552;N#CC(C#CCO)C=NO;ZQSZNUFENUINGH-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104553;MM104553;CC(=O)CC(=O)NO;VCWRWMWHBSZKPM-UHFFFAOYSA-N;117.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104554;MM104554;CNC(=O)CC(=N)N;PZKZNGDDVRVCRN-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104555;MM104555;N=C(N)CC(=O)NN;HTPJXOHSPQOGGC-UHFFFAOYSA-N;116.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104556;MM104556;CNC(=O)CC(N)=O;ZTIZMENJNZDJFS-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104557;MM104557;C=Cc1ncn(C)c1O;CNWBGAMLJKQOSB-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104558;MM104558;CCCOCC(CO)=NO;GZXXEANRFYLOFO-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104559;MM104559;C=C(F)CC(=O)NC;WDOVXWHDKXQHPR-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104560;MM104560;C=NN(C)CC(C)C=NO;QQUBTNUSQHOMRH-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104561;MM104561;C=C(F)CC(=O)NO;AUJOWTNZGHYYSH-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104562;MM104562;C=C(C)CC(=C)OC;BGDAPVMKOYAMAM-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104563;MM104563;C=C(CC(=N)N)OC;QEESWEYQHVIASZ-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104564;MM104564;C=C(CC(N)=O)OC;LSQLZJIGFQDHBH-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104565;MM104565;N=c1n(N)c(=O)n(O)n1O;GKMULZPGYUNRAF-UHFFFAOYSA-N;147.09;-2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104566;MM104566;C=C(F)CC(=C)OC;LVJPGFQZZAKWHH-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104567;MM104567;C=C(C)CC(=O)OC;TVTLCZHNZKWYBL-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104568;MM104568;COC(=O)CC(=N)N;ZPIBCEJYARVVQI-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104569;MM104569;COC(=O)CC(N)=O;LSNSJCKGQREPDW-UHFFFAOYSA-N;117.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104570;MM104570;C=C(F)CC(=O)OC;WDAWUAPFQVBPHE-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104571;MM104571;C=C(CN)NC(C)=N;JDOQEQDDNBBMFR-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104572;MM104572;C=C(CC)NC(C)=O;FSNXYJBYYNRTMG-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104573;MM104573;C=C(CN)NC(C)=O;PEAWNUNSQANZSZ-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104574;MM104574;C=C(CN)NC(=N)N;YXWAFWIMWUCRAF-UHFFFAOYSA-N;114.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104575;MM104575;C=C(CO)NC(=N)N;PFCMPVQFGFWQMV-UHFFFAOYSA-N;115.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104576;MM104576;C=C(CF)NC(=N)N;DXHCJBXIINODEH-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104577;MM104577;C=C(CN)NC(N)=O;NOYQBYVRQFLLTP-UHFFFAOYSA-N;115.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104578;MM104578;C=C(CO)NC(N)=O;SNDLPINZLRZVMQ-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104579;MM104579;C=C(C)NC(=N)CC;XYQKORCSGIMICJ-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104580;MM104580;C=C(C)NC(=N)CN;MXDDIKXRRMDRAC-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104581;MM104581;C=C(C)NC(=N)CO;JBKNDBYNKATZBH-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104582;MM104582;CC(=N)NC(=N)CN;ZLEXEMDMQWHAIT-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104583;MM104583;CC(=N)NC(=N)CO;HKBBHKXJEBHAOC-UHFFFAOYSA-N;115.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104584;MM104584;CC(=N)NC(=N)CF;LEFPCDLNPFPIFT-UHFFFAOYSA-N;117.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104585;MM104585;CC=CC1=CC(=N)C(=O)N1;HOKOGTNMYGHCJF-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104586;MM104586;CC(=O)NC(=N)CO;NXMSBKQWUZPLJI-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104587;MM104587;CCC(=N)NC(=N)N;BVLXXVNSQIRGOI-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104588;MM104588;N=C(N)NC(=N)CN;KOTWRDBTISUNCW-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104589;MM104589;CCCc1cc(O)c(N)[nH]1;KELRPDYVCZBRLC-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104590;MM104590;C=C(C)NC(=O)CC;SOVOVVWUANGFCL-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104591;MM104591;CN=C(N)C(=O)NNC=O;OQSVKXCAZBYVTQ-UHFFFAOYSA-N;144.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104592;MM104592;CN(C=O)C(N)=CC=NO;KMSFUWOKGYEDMN-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104593;MM104593;CCC(=O)NC(C)=O;NAQKKBXQFQIQAB-UHFFFAOYSA-N;115.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104594;MM104594;CC(=O)NC(=O)CO;UHYCBWLNRIGAIS-UHFFFAOYSA-N;117.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104595;MM104595;CCC(=O)NC(=N)N;MHKWLKXZLMBCNW-UHFFFAOYSA-N;115.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104596;MM104596;N=C(N)NC(=O)CN;YSZKZHPRKFLCTO-UHFFFAOYSA-N;116.12;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104597;MM104597;N=C(N)NC(=O)CO;MWBSAUHRJLYHPN-UHFFFAOYSA-N;117.11;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104598;MM104598;CCC(=O)NC(N)=O;KKACJTWOOFIGAD-UHFFFAOYSA-N;116.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104599;MM104599;NC(=O)NC(=O)CO;RYDVBNBVYVMEDT-UHFFFAOYSA-N;118.09;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104600;MM104600;NC(=O)NC(=O)CF;DJDHXYMXSRKUOE-UHFFFAOYSA-N;120.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104601;MM104601;C=C(C)NC(=N)NC;CJPBYGNXXLZYJQ-UHFFFAOYSA-N;113.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104602;MM104602;CNC(=N)NC(C)=N;MDOFYEDZYJSWRS-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104603;MM104603;CC(=N)NC(=N)NN;MEJDKVAYRUGWSV-UHFFFAOYSA-N;115.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104604;MM104604;CC(=N)NC(=N)NO;KRHVYFWSXBHXJT-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104605;MM104605;CNC(=N)NC(C)=O;VPLDMZGIHIMNIG-UHFFFAOYSA-N;115.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104606;MM104606;CC(=O)NC(=N)NN;SFEIBMZUMYJSPP-UHFFFAOYSA-N;116.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104607;MM104607;CNC(=N)NC(=N)N;JLPWQEHTPOFCPG-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104608;MM104608;N=C(N)NC(=N)NN;VTUFDOOSZOYXFC-UHFFFAOYSA-N;116.13;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104609;MM104609;N=C(N)NC(=N)NO;VNCWWWSEJXYSIV-UHFFFAOYSA-N;117.11;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104610;MM104610;C=C(C)NC(=O)NC;OECVOAGDDGIGKQ-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104611;MM104611;N#CC1=CN=C(NC=O)C1;DSBFXBIJILOMDP-UHFFFAOYSA-N;135.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104612;MM104612;NC=C(C=NO)CO;AXMWTUYLJFMCPI-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104613;MM104613;NC(CC(F)C=O)=NO;PVEOMONPCHBCHR-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104614;MM104614;CNC(=O)NC(C)=O;XRVHSOXXNQTWAW-UHFFFAOYSA-N;116.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104615;MM104615;CC(=O)NC(=O)NN;FABZXXJETVNBBX-UHFFFAOYSA-N;117.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104616;MM104616;CC(=O)NC(=O)NO;MSEQMSDYRIGYLT-UHFFFAOYSA-N;118.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104617;MM104617;COC(=N)NC(C)=N;ZKILCBDPSYRRAW-UHFFFAOYSA-N;115.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104618;MM104618;COC(=N)NC(C)=O;HSAWKLKMNIZHDT-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104619;MM104619;COC(=N)NC(=N)N;UPJXCMWXFSNCJH-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104620;MM104620;COC(=N)NC(N)=O;DCUDIHMNDKITHX-UHFFFAOYSA-N;117.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104621;MM104621;COC(=O)NC(C)=N;UNMCKUQTVPQZFK-UHFFFAOYSA-N;116.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104622;MM104622;COC(=O)NC(=N)N;PAVDBWFMFPEZIE-UHFFFAOYSA-N;117.11;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104623;MM104623;C=C(C)OC(=C)CC;BMUSGHTYSCJLJX-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104624;MM104624;C=C(C)OC(=C)CN;MPELLAMLXWJMPM-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104625;MM104625;C=C(C)OC(=C)CO;ZRUGPKCLOCCVDA-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104626;MM104626;C=C(CC)OC(C)=O;BVCLXNHIJBDDTH-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104627;MM104627;C=C(C)OC(=O)CC;NLDFTWSUPLJCQD-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104628;MM104628;C=C(C)OC(=O)CF;RUJVBXHYGZCMMM-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104629;MM104629;CC(=NO)N(N)C=NO;ZHIQDOSQSBGMTI-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104630;MM104630;C=CC(=C)CC(=C)C;NZCAKHQUGRZPLT-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104631;MM104631;C=C(C)CC(=C)C#N;UYSBPTPFKXYYIK-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104632;MM104632;C=CC(=C)CC(C)=O;OVIXILKTXSGNPV-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104633;MM104633;C=C(C#N)CC(C)=O;QGQNJELNAFRNOL-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104634;MM104634;C=CC(=C)CC(=N)N;IMZFYTCHKWSCFS-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104635;MM104635;C=C(C#N)CC(=N)N;PYJOPHYIURCRDR-UHFFFAOYSA-N;109.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104636;MM104636;C=CC(=C)CC(=O)O;BEUXHOMEDHZAMA-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104637;MM104637;C=C(C#N)CC(=O)O;RVEVLXZUPNHEQG-UHFFFAOYSA-N;111.1;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104638;MM104638;C=CC(=C)CC(=C)F;LFBITFXITZBLND-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104639;MM104639;C=C(F)CC(=C)C=O;YYKRSEVOQFZMNE-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104640;MM104640;C=C(F)CC(=C)C#N;JTKPCOVMWIYQNX-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104641;MM104641;C=CC(=O)CC(C)=O;MSLCOWHBLCTBOW-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104642;MM104642;N#CCc1coc(=NO)[nH]1;KIBYGNLXMOXLHJ-UHFFFAOYSA-N;139.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104643;MM104643;C=CC(=O)CC(=N)N;LAXJJJOVLVOJJB-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104644;MM104644;N#CC(=O)CC(=N)N;LBPCPEXDQNGTIN-UHFFFAOYSA-N;111.1;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104645;MM104645;C=NNC(=O)C(CO)=NO;HJMYTGOXZOBQRH-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104646;MM104646;C=C(C=O)NC(C)=N;YMGBISXOPZECIO-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104647;MM104647;C=CC(=C)NC(C)=O;YXEUFTPZXIGTBO-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104648;MM104648;C=C(C=O)NC(C)=O;UDTCMDHLIJJLGT-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104649;MM104649;C=C(C=O)NC(=N)N;DWZBECVPBOROHD-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104650;MM104650;C=C(C#N)NC(=N)N;GKCLYXRVQMOJRC-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104651;MM104651;C=CC(=C)NC(N)=O;ABXZDSSCWURPFO-UHFFFAOYSA-N;112.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104652;MM104652;C=C(C=O)NC(N)=O;NWHVUQDKFNNZEP-UHFFFAOYSA-N;114.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104653;MM104653;C=CC(=N)NC(C)=N;VOCMLUGEIRHAKO-UHFFFAOYSA-N;111.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104654;MM104654;C=CC1=CC(=N)C(=O)N1;LILIOQJLNZGZIH-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104655;MM104655;C=CC(=N)NC(=N)N;XPOMMZWODLVCGC-UHFFFAOYSA-N;112.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104656;MM104656;N=C(N)N=C(N)C=O;UNEXWKQRVBFADF-UHFFFAOYSA-N;114.11;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104657;MM104657;CCc1cc(O)c(N)[nH]1;WRKTZFSBPUHHNE-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104658;MM104658;C=CC(=O)NC(=C)C;OIBVSTUGLWGXHJ-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104659;MM104659;C=C(C)NC(=O)C#N;VNTQISGXJMJGLT-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104660;MM104660;CC1C(=O)N=CN1C=N;ADTQUPVTNZCOCM-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104661;MM104661;C=CC(=O)NC(=N)N;UWICDWBEVIDNNJ-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104662;MM104662;C=CC(=O)NC(N)=O;UXGLSABDGQOSET-UHFFFAOYSA-N;114.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104663;MM104663;C=CC(=C)OC(=C)C;NKHMKXSYTZYRPT-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104664;MM104664;C=C(C)OC(=C)C=O;SXFWDZFXLAUJOK-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104665;MM104665;C=C(C)OC(=C)C#N;VFXDFXNPZJXGOC-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104666;MM104666;C=CC(=C)OC(C)=O;PMOLKBNSJNLKGB-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104667;MM104667;C=C(C#N)OC(C)=O;LFSHREXVLSTLFB-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104668;MM104668;C=CC(=O)OC(=C)C;USYCSHPNZNNCCU-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104669;MM104669;C#CC(=C)CC(=C)C;OOJPBARYKNGARY-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104670;MM104670;C#CC(=C)CC(=O)O;ZSFRYXRADYOKTL-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104671;MM104671;C#CC(=C)CC(=C)F;ATHSRTDAKSTUEF-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104672;MM104672;C#CC(=O)CC(=N)N;OJFWNPODRDBUGD-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104673;MM104673;C#CC(=O)CC(N)=O;DRRIMCWDICTBRP-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104674;MM104674;C#CC(=O)CC(=C)F;GSFOTICSPIYJDZ-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104675;MM104675;C#CC(=C)NC(=N)N;NWVWHJWLQBEOQZ-UHFFFAOYSA-N;109.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104676;MM104676;C#CC(=O)NC(=C)C;GZHHLOBXUKMNBM-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104677;MM104677;C#CC(=O)NC(C)=O;JVVXOJKJNHVNAM-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104678;MM104678;C#CC(=C)OC(=C)C;OAMFDBMNVAQWQG-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104679;MM104679;C#CC(=C)OC(C)=O;SRMZXJIRWPDGAO-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104680;MM104680;C#CC(=O)OC(=C)C;KWLQKVAHPOVMSG-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104681;MM104681;CC=C(C)CC(C)C;BQAZYKYBFAMHPG-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104682;MM104682;CC(=CF)CC(C)C;NMLXQVIRVARYLB-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104683;MM104683;CC=C(C)CC(C)N;DYCGDPBVRLZWFT-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104684;MM104684;NC(CC(=O)CCO)=NO;ACXDSEFMZDKDGP-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104685;MM104685;CC(=CF)CC(C)O;AFFDUVJLAXRGCD-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104686;MM104686;CC=C(C)CC(C)F;MIRKDLYBQQHWSJ-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104687;MM104687;CC(=CF)CC(C)F;LHVKXHLAKNWAFO-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104688;MM104688;CC=C(C)CC(F)F;NYLNGULIPHYYHG-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104689;MM104689;CC=C(F)CC(C)C;YMUIEPOAUFIIKK-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104690;MM104690;CC(C)CC(F)=CF;MZMJXAHOWNUNAW-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104691;MM104691;CC=C(F)CC(C)N;SGANEPKMSMQQHD-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104692;MM104692;CC(N)CC(F)=CF;VLSNMGHWDXWKLU-UHFFFAOYSA-N;121.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104693;MM104693;CC=C(F)CC(C)O;ADMYPKHBXWEXMR-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104694;MM104694;CC(O)CC(F)=CF;DXFCVFFGSZBOMW-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104695;MM104695;CC=C(F)CC(C)F;BEFZZPQUNDZLEJ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104696;MM104696;CC(F)CC(F)=CF;BIDXYKSSZFKDSQ-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104697;MM104697;CC=C(F)CC(F)F;ODCUZTGHDUKNAN-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104698;MM104698;FC=C(F)CC(F)F;VOJIBJOHIPARSX-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104699;MM104699;CC(CC(C)C)=NN;WJLLAXNNPOSKTM-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104700;MM104700;N=C(C=NO)NOCCO;FECYJXDYDPVLOX-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104701;MM104701;CC(CC(C)O)=NO;QROVCYCDIMEWDY-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104702;MM104702;CC(CC(C)F)=NO;BYWGSLHPVHQDLK-UHFFFAOYSA-N;119.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104703;MM104703;CC(CC(F)F)=NO;DPNHGJJQUGEQKW-UHFFFAOYSA-N;123.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104704;MM104704;CN=C(C)NC(C)C;OULYHYHDWKTNFU-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104705;MM104705;CC(=NC(C)C)NN;APPJOVADOZCWOU-UHFFFAOYSA-N;115.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104706;MM104706;CC(=NC(C)C)NO;JQNOKSHPACPYCQ-UHFFFAOYSA-N;116.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104707;MM104707;CC=C(C)OC(C)C;KNLUFZYYZQAXCV-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104708;MM104708;CC(=CF)OC(C)C;JHVIBKDLUVFNPD-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104709;MM104709;CNC(=NO)ON=CNN;WPIWRTOFBXETBN-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104710;MM104710;CC=C(C)CN(C)C;DKIVIRNEONJXNW-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104711;MM104711;CC(=CF)CN(C)C;MJNFUOCNWDXNNG-UHFFFAOYSA-N;117.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104712;MM104712;CN(C)CC(F)=CF;MJZFKUWNOJDSDT-UHFFFAOYSA-N;121.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104713;MM104713;C=C(C)CC(C)=CC;DVDQIGTWXQUKOA-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104714;MM104714;C=C(C)CC(C)=CF;ZXLOMRULEMEQQZ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104715;MM104715;CC=C(C)CC(C)=O;NXWQWCMUNWCDGL-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104716;MM104716;CC=C(C)CC(=N)N;VWHAIIYEGCSGAK-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104717;MM104717;CC=C(C)CC(=O)O;OGVROELYPSGUQB-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104718;MM104718;C=C(F)CC(C)=CC;ZSCJDPXVMXFMJS-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104719;MM104719;C=C(F)CC(C)=CF;QRSRVIQRLUTXNY-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104720;MM104720;C=C(C)CC(F)=CC;IHQNFNPAILBHFQ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104721;MM104721;C=C(C)CC(F)=CF;YWHLZODIGKUQMY-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104722;MM104722;CC=C(F)CC(C)=O;ZWBSYVDHDBOAQR-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104723;MM104723;CC(=O)CC(F)=CF;WGOAKFPBMGBRNE-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104724;MM104724;CC=C(F)CC(=N)N;FTULLHCRSSYVMD-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104725;MM104725;CC=C(F)CC(=O)O;SAOFOHIQCFCYDD-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104726;MM104726;O=C(O)CC(F)=CF;WFPYASKFEITZOD-UHFFFAOYSA-N;122.07;1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104727;MM104727;C=C(F)CC(F)=CC;KWLUOJKDZSEPDW-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104728;MM104728;C=C(F)CC(F)=CF;YMUOPOUYBVIGCZ-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104729;MM104729;C=C(C)CC(C)=NO;SGMMPTUSTLFSBU-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104730;MM104730;CN=C(C=NO)NO;MDAXNEIYVQWJEC-UHFFFAOYSA-N;117.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104731;MM104731;CC(CC(N)=O)=NO;ZJGNZBBEEIVZBC-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104732;MM104732;C=C(F)CC(C)=NN;JRECZGVSTQPNJQ-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104733;MM104733;C=C(F)CC(C)=NO;VABXFZMADVGAGV-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104734;MM104734;CC=C(C)NC(C)=N;PVQKWDGHPINIQB-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104735;MM104735;CC(=N)NC(C)=CF;HPBMNMNKNDEUJF-UHFFFAOYSA-N;116.14;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104736;MM104736;CC=C(C)NC(C)=O;KUXKIQFGDHBKDQ-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104737;MM104737;C=C(C)NC(C)=NC;ZDPKJZAHVWCRQC-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104738;MM104738;C=C(C)N=C(C)NN;AFGAIOIQAFXWBU-UHFFFAOYSA-N;113.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104739;MM104739;C=C(C)N=C(C)NO;PNDSLJOFYKITCV-UHFFFAOYSA-N;114.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104740;MM104740;CN=C(C)NC(=N)N;LGBYCEHZPOFDGL-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104741;MM104741;CC(=NN)NC(=N)N;AAJIUTYHWSFELM-UHFFFAOYSA-N;115.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104742;MM104742;CC(=NO)NC(=N)N;GLAYLKIXPDOAOW-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104743;MM104743;N=C1COC(=NO)N1;AYFCBMULWYOXNG-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104744;MM104744;CC(=NN)NC(N)=O;YNSWAOLLAVBDFP-UHFFFAOYSA-N;116.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104745;MM104745;C=C(C)OC(C)=CC;MHWGGEXRZNOGLO-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104746;MM104746;C=C(C)OC(C)=CF;DSECCZIYKQSXAT-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104747;MM104747;CC=C(C)OC(C)=O;OOCFREXEVDCHGU-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104748;MM104748;CC(=O)OC(C)=CF;ZCFVRRPWOJRPFO-UHFFFAOYSA-N;118.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104749;MM104749;N#CCN(C=N)C=NO;XCCGZGBLGHOWQA-UHFFFAOYSA-N;126.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104750;MM104750;C=C(C)OC(C)=NO;AZUKIMUQBMQWGZ-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104751;MM104751;C=CC(O)C(C=NO)=CN;DSFFVNTVDYUPGV-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104752;MM104752;C=CNC1=NCC(=NO)O1;UJGYYFKQGWIPPE-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104753;MM104753;CCC(C)C=C(C)C;IZSBIPQYBGDXJZ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104754;MM104754;CC(C)=CC(C)CN;YSXUVJAJMYUXRM-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104755;MM104755;CN=c1[nH]cc(C#N)n1O;GAXIKPOEINAZHG-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104756;MM104756;CC(C)=CC(C)CF;XARQHTPPQFIWFY-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104757;MM104757;CCC(C)C=C(C)F;SYZCFBOVTXYVEZ-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104758;MM104758;CC(F)=CC(C)CO;VKTXMGWZOYIUCT-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104759;MM104759;CC(F)=CC(C)CF;AJXVJOTVZXBEQK-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104760;MM104760;CCC(C)C=C(F)F;TZEKHGPBBJPEBH-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104761;MM104761;CC(C=C(F)F)CN;RISXNCSLDKCEHK-UHFFFAOYSA-N;121.13;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104762;MM104762;CC(C=C(F)F)CF;SUBWAXSSNYRNFQ-UHFFFAOYSA-N;124.11;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104763;MM104763;CCC(N)C=C(C)C;INYIIDOUNHRTNQ-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104764;MM104764;CC(C)=CC(N)CF;RFMAILUTOWGJDG-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104765;MM104765;CC(F)=CC(N)CO;NQVVKYGJRRBWKZ-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104766;MM104766;CC(F)=CC(N)CF;AIHXYNLHJBAQFB-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104767;MM104767;CCC(N)C=C(F)F;SGIPTOBVNNWXQD-UHFFFAOYSA-N;121.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104768;MM104768;NCC(N)C=C(F)F;YQOUWUSWMLTUKI-UHFFFAOYSA-N;122.12;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104769;MM104769;NC(C=C(F)F)CF;WVWTVRMMZSCRJJ-UHFFFAOYSA-N;125.09;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104770;MM104770;Cn1c(N)cc(O)c1N;UBZQYYJHUCOHGQ-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104771;MM104771;CCC(O)C=C(C)F;RTEWFBAAPCQUHA-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104772;MM104772;CC(F)=CC(O)CN;IDICORNLCMLAMC-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104773;MM104773;CC(F)=CC(O)CO;JKHHQEZOUUPLMH-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104774;MM104774;CC(F)=CC(O)CF;UKNMFZIIIXYJAF-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104775;MM104775;CCC(O)C=C(F)F;AZWXXNWLBMREJE-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104776;MM104776;CCC(F)C=C(C)C;IEIFOQIAGSPBKS-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104777;MM104777;CC(C)=CC(F)CF;JFLGGUPTTYMLEY-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104778;MM104778;CCC(F)C=C(C)F;BNIMURISIJUSBS-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104779;MM104779;CC(F)=CC(F)CN;SQCHCOJYWRDKAY-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104780;MM104780;CC(F)=CC(F)CO;SRVDQERADCTFMQ-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104781;MM104781;CC(F)=CC(F)CF;RFLAUJAXGDHGGH-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104782;MM104782;CCC(F)C=C(F)F;RZULAZURZGMRDX-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104783;MM104783;NCC(F)C=C(F)F;NVKLWORPLIRMNF-UHFFFAOYSA-N;125.09;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104784;MM104784;OCC(F)C=C(F)F;MMJINPWDGZHJEC-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104785;MM104785;COC(C)C=C(C)C;XFPFIBWXMXCRAL-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104786;MM104786;COC(C)C=C(C)F;VMXUSDFSUYVQMH-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104787;MM104787;COC(C)C=C(F)F;UFFZDVMGFNNNGA-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104788;MM104788;CCN(C)N=C(C)C;NRPXMMLTCPZRMB-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104789;MM104789;C=CC(C)C=C(C)C;NRWBPJIUSMMBPU-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104790;MM104790;CC(C)=CC(C)C#N;WNFDMOWQEZKAHY-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104791;MM104791;C=CC(C)C=C(C)F;YEQGVYGMHWDKIW-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104792;MM104792;CC(F)=CC(C)C=O;DCBAYABPAKJKQN-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104793;MM104793;CC(F)=CC(C)C#N;UJJJLGBZBWLEIW-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104794;MM104794;C=CC(C)C=C(F)F;KVEWLCVXLJTROY-UHFFFAOYSA-N;118.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104795;MM104795;CC(C=O)C=C(F)F;MZVMQYVAZXFNDP-UHFFFAOYSA-N;120.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104796;MM104796;CC(C#N)C=C(F)F;OINXKFGKFFAGHY-UHFFFAOYSA-N;117.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104797;MM104797;C=CC(N)C=C(C)C;VTCZSOQYEKVSNN-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104798;MM104798;C=CC(N)C=C(C)F;JYXQWDBJEXNHJE-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104799;MM104799;CN1CC(=NO)OC1=N;MTRRPMARBQLWNB-UHFFFAOYSA-N;129.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104800;MM104800;CC(C)=CC(O)C#N;DZELNCZPLXQWJX-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104801;MM104801;C=CC(O)C=C(C)F;MBDHRIQGLHEUGS-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104802;MM104802;C=CC(O)C=C(F)F;GRCZSZSJVCNUDX-UHFFFAOYSA-N;120.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104803;MM104803;C=CC(F)C=C(C)C;OJRJVRLINDQQOS-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104804;MM104804;CC(C)=CC(F)C=O;YPGZILDGASIQSO-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104805;MM104805;C=CC(F)C=C(C)F;HALPDJSQPAWHIC-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104806;MM104806;CC(F)=CC(F)C=O;OCJONLSRTCLNBI-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104807;MM104807;CC(F)=CC(F)C#N;OUIYVVMQBXTFOT-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104808;MM104808;C=CC(F)C=C(F)F;JLENHBDXGJVFDH-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104809;MM104809;O=CC(F)C=C(F)F;NYBPHHVDFUYJOY-UHFFFAOYSA-N;124.06;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104810;MM104810;N#CC(F)C=C(F)F;JIBGNKIJLYAFFN-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104811;MM104811;CC(C)=CN(C)C=N;BYGGENBGOOKONR-UHFFFAOYSA-N;112.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104812;MM104812;CC(C)=CN(C)C=O;USSXDYGXZRVYHU-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104813;MM104813;CC(F)=CN(C)C=N;CVSBCIHRSQTARB-UHFFFAOYSA-N;116.14;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104814;MM104814;CC(F)=CN(N)C=O;DARFLXFIVXOFSK-UHFFFAOYSA-N;118.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104815;MM104815;CC(C)=CN(O)C=N;TYPHAYGFZSVBSI-UHFFFAOYSA-N;114.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104816;MM104816;C#CC1=CNC(=O)C1=N;XFZKRNPVBHQHFD-UHFFFAOYSA-N;120.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104817;MM104817;C#CC(C)C=C(C)C;VFEIJNHNWPAWJY-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104818;MM104818;C#CC(C)C=C(C)F;JOEBKFDLSDXZHQ-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104819;MM104819;C#CC(C)C=C(F)F;AUJSURAZOFOPMX-UHFFFAOYSA-N;116.11;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104820;MM104820;C#CC(N)C=C(C)F;ODAVMPBFIKTLGX-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104821;MM104821;C#CC(N)C=C(F)F;AZTUVCMBWOBHHA-UHFFFAOYSA-N;117.1;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104822;MM104822;C#CC(O)C=C(F)F;ZNPWPPYHSIVNFZ-UHFFFAOYSA-N;118.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104823;MM104823;C#CC(F)C=C(C)C;BLLRLFVZIKBHOK-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104824;MM104824;C#CC(F)C=C(C)F;NPXNJEBYJLBMPL-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104825;MM104825;C#CC(F)C=C(F)F;RULJNYMYLILYGP-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104826;MM104826;C=C(C=C(C)C)CC;MHZRGGLOFWUYSC-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104827;MM104827;C=C(C=C(C)C)CN;CJHUFQHIOMEFKU-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104828;MM104828;C=C(C=C(C)C)CO;ZHWYYLNHUXQYTG-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104829;MM104829;C=C(C=C(C)C)CF;GLCGIBRKXLFXKM-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104830;MM104830;C=C(C=C(C)F)CC;NOUBZSCFWBWBLO-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104831;MM104831;C=C(C=C(C)F)CN;CKZQLWZEPQYDJH-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104832;MM104832;C=C(C=C(C)F)CO;LLTKROZJUFXVIM-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104833;MM104833;C=C(C=C(C)F)CF;XWAYMWVMSVMXMA-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104834;MM104834;C=C(C=C(F)F)CC;GPXSLTODBXTMEM-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104835;MM104835;C=C(C=C(F)F)CN;XQPJHAXIAZKENI-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104836;MM104836;C=C(C=C(F)F)CO;BTNUQYAUTZYPFH-UHFFFAOYSA-N;120.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104837;MM104837;C=C(C=C(F)F)CF;STJYAZOXRGZSQG-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104838;MM104838;CCC(=O)C=C(C)C;WNZISGSGRPIJFX-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104839;MM104839;CC(C)=CC(=O)CF;UMPISGGOSLIJCJ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104840;MM104840;CC(N)=CC(=O)CO;WLWCVMTZEAVYMQ-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104841;MM104841;CCC(=O)C=C(C)F;HVUKQWKBUFSNGO-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104842;MM104842;CC(F)=CC(=O)CF;HJZBUFJWVBHYHT-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104843;MM104843;CCC(=O)C=C(N)N;JFIYUVQDPFHEBH-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104844;MM104844;NC(N)=CC(=O)CO;YCZZPLGKUOXIHS-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104845;MM104845;CCC(=O)C=C(F)F;COZICDKSSDGFJC-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104846;MM104846;O=C(C=C(F)F)CO;AKFDIPNLKKDICH-UHFFFAOYSA-N;122.07;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104847;MM104847;O=C(C=C(F)F)CF;WACRIGFEVAPCPD-UHFFFAOYSA-N;124.06;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104848;MM104848;CC(N)=CC(=N)NN;SIPGSZUXXRFRAM-UHFFFAOYSA-N;114.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104849;MM104849;CC(N)=CC(=N)NO;VZLNYRAODFIRLA-UHFFFAOYSA-N;115.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104850;MM104850;N=C(C=C(N)N)NN;UPLFSAUORWKLNX-UHFFFAOYSA-N;115.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104851;MM104851;N=C(C=C(N)N)NO;SHZFQTOAUQPBSS-UHFFFAOYSA-N;116.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104852;MM104852;N=CN(N)C(=NO)C(N)=O;ZBZOZIUCTVBDMX-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104853;MM104853;N#CCc1cnc(CO)[nH]1;FDCBQOVQCSPRCM-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104854;MM104854;CC#CC1=CNC(=O)C1=N;XEWRTJXQZLGLNN-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104855;MM104855;CC(N)=CC(=O)NO;DJHXUWDJXPTLRY-UHFFFAOYSA-N;116.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104856;MM104856;CNC(=O)C=C(C)F;GWPRQVWSPSIFMU-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104857;MM104857;O=CN1C=NC(=NO)CC1;VHVVBNFHFPZIAA-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104858;MM104858;COc1ncc[nH]1;YQSPOXMPYQYCSI-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104859;MM104859;NC(N)=CC(=O)NO;IXVRBXLGRLZPDM-UHFFFAOYSA-N;117.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104860;MM104860;CNC(=O)C=C(F)F;SDZSVROTTGOTSW-UHFFFAOYSA-N;121.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104861;MM104861;O=C(C=C(F)F)NO;RFOJEEOTDBPUJH-UHFFFAOYSA-N;123.06;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104862;MM104862;C=C(C=C(C)C)OC;AUWVLSNUZCKORI-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104863;MM104863;C=C(C=C(C)F)OC;WUTZXRAQXJOSJA-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104864;MM104864;C=C(C=C(F)F)OC;RLIXMZWZBFSRGQ-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104865;MM104865;COC(=O)C=C(C)C;FZIBCCGGICGWBP-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104866;MM104866;COC(=O)C=C(C)F;WLIRSFVYHOLXNY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104867;MM104867;COC(=O)C=C(N)N;PZIAAIHRORWYIP-UHFFFAOYSA-N;116.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104868;MM104868;COC(=O)C=C(F)F;WBCCJQXKXZNHFB-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104869;MM104869;C=CC(=C)C=C(C)C;NAZJSQYVAABTHB-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104870;MM104870;C=C(C=O)C=C(C)C;AOGAIXYOHKMEKU-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104871;MM104871;C=C(C#N)C=C(C)C;KGQSSYOVQLDLQR-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104872;MM104872;C=CC(=C)C=C(C)F;WSUFHEOGTLAJCD-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104873;MM104873;C=C(C=O)C=C(C)F;CEDXCWWHLZKFIT-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104874;MM104874;C=C(C#N)C=C(C)F;RXLYYPMCEFPONR-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104875;MM104875;C=CC(=C)C=C(F)F;PILBYRRJYRYJIO-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104876;MM104876;C=C(C=O)C=C(F)F;QPZJYISKMZUMHI-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104877;MM104877;C=C(C#N)C=C(F)F;NPZFWTHDMXJPKI-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104878;MM104878;C=CC(=O)C=C(C)C;DNSNCSDSZVRBSO-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104879;MM104879;C=CC(=O)C=C(C)F;YOXRXNOYUBKNGN-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104880;MM104880;CC(F)=CC(=O)C#N;YBVTURZWXMLEIN-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104881;MM104881;C=CC(=O)C=C(N)N;HKDILSPFOSTTBR-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104882;MM104882;N#CC(=O)C=C(N)N;AEXMXXJBQOWKMI-UHFFFAOYSA-N;111.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104883;MM104883;C=CC(=O)C=C(F)F;JIGLOUYDDWWXAD-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104884;MM104884;N#CC(=O)C=C(F)F;DPYFSDSHRBCHFO-UHFFFAOYSA-N;117.05;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104885;MM104885;C#CC(=C)C=C(C)C;PGZHAQWRINVQHK-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104886;MM104886;C#CC(=C)C=C(C)F;QFADXLUWNKPEHY-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104887;MM104887;C#CC(=C)C=C(F)F;UOUPYUMPJZKJGU-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104888;MM104888;C#CC(=O)C=C(C)C;MZYGNQKBISSLSL-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104889;MM104889;C#CC(=O)C=C(C)F;MTUPUCVEQYWCGD-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104890;MM104890;C#CC(=O)C=C(F)F;MMHIKNIUZLPAKW-UHFFFAOYSA-N;116.07;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104891;MM104891;CC=C(C)C=C(C)C;KETIPZIBBSVDPW-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104892;MM104892;CC(C)=CC(C)=CF;PSPHZUZVEHOSRK-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104893;MM104893;CC=C(C)C=C(C)F;RXHMLHVRZCIEIN-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104894;MM104894;CC(F)=CC(C)=CF;FQBQXKHEMAQFJP-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104895;MM104895;CC=C(C)C=C(F)F;JFSVPUUAYCNNSH-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104896;MM104896;CC(C=C(F)F)=CF;BUYDAXOLRFKVDE-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104897;MM104897;CC=C(F)C=C(C)C;GYAJJEYSMDCTKN-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104898;MM104898;CC(C)=CC(F)=CF;SMKXATXBVXHQHL-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104899;MM104899;CC=C(F)C=C(C)F;IAJQDGAFZLVPQU-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104900;MM104900;CC(F)=CC(F)=CF;XSTQGBFZNTWKIZ-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104901;MM104901;CC=C(F)C=C(F)F;ZUJSMCBAPGBSHL-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104902;MM104902;CN(O)C(=N)C=NO;DUMNTTYUOQMSKB-UHFFFAOYSA-N;117.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104903;MM104903;Cc1cc(O)c(N)[nH]1;SNWQSGRSNBEVEE-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104904;MM104904;CC(F)=CC(C)=NN;CMMWJAKAHKCAPM-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104905;MM104905;CC(F)=CC(C)=NO;MZPYFCQPJNMCEV-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104906;MM104906;N=C(NO)OC(=O)NC=O;ZWNBMKJTYDETAR-UHFFFAOYSA-N;147.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104907;MM104907;CC(C=C(F)F)=NN;NDFFVYLAJIUTAI-UHFFFAOYSA-N;120.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104908;MM104908;CC(=N)NC(N)=NN;MEJDKVAYRUGWSV-UHFFFAOYSA-N;115.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104909;MM104909;CC(=N)NC(N)=NO;KRHVYFWSXBHXJT-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104910;MM104910;CNC(=N)N=C(N)N;JLPWQEHTPOFCPG-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104911;MM104911;CCC(C)=CC(C)C;VFCHHMABGOYOQI-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104912;MM104912;CC(=CC(C)C)CN;QDKAIVRVMQGMLV-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104913;MM104913;CC(=CC(C)C)CO;FRNHNENZDWMNBU-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104914;MM104914;CC(=CC(C)C)CF;KXCPLJFMQLRSHI-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104915;MM104915;CCC(C)=CC(C)N;ZXQVTKGHSVTSEG-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104916;MM104916;CC(=CC(C)N)CN;DLEHLEXMPVOFDQ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104917;MM104917;CC(=CC(C)N)CF;OVXRQOLAQWVSOX-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104918;MM104918;C=NNC=NC(=NO)NN;OQPFSIKZWNSPAO-UHFFFAOYSA-N;144.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104919;MM104919;CCC(C)=CC(C)F;OJSFFQJJNYOHFJ-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104920;MM104920;CC(=CC(C)F)CO;LJPRFHIMWAVXKM-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104921;MM104921;CC(=CC(C)F)CF;JOTJUOGXBBRWLE-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104922;MM104922;CCC(C)=CC(F)F;QPQRYPRTKCEZBG-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104923;MM104923;CCC(F)=CC(C)C;YQFLSPQQDRSMOC-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104924;MM104924;CC(C)C=C(F)CF;ADSCIBARHASCLZ-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104925;MM104925;CCC(F)=CC(C)N;KACDFJOCURPKJK-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104926;MM104926;CC(N)C=C(F)CN;IUXBSTBKPFBNSL-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104927;MM104927;CC(N)C=C(F)CO;YQXPJPWORPDNRI-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104928;MM104928;CC(N)C=C(F)CF;VVNSSEPLHAOELT-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104929;MM104929;CCC(F)=CC(C)O;GIFHDRQUEQQFFL-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104930;MM104930;CCC(F)=CC(C)F;LRNFSQJXXNSHAE-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104931;MM104931;CC(F)C=C(F)CO;SRFKOCOVSAFJAM-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104932;MM104932;CC(F)C=C(F)CF;UNYVEEIAXIJMMO-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104933;MM104933;CCC(F)=CC(F)F;MCYTZPWZFOVBOD-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104934;MM104934;OCC(F)=CC(F)F;JMASUMPQUGBZQJ-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104935;MM104935;COC(C)=CC(C)C;VUVRRRJAGXVQQZ-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104936;MM104936;COC(C)=CC(C)O;RUECEFHYRAFTHY-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104937;MM104937;COC(C)=CC(C)F;ZUPPPGXLQHTBFA-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104938;MM104938;COC(C)=CC(F)F;HYFOWVMJSBZQLZ-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104939;MM104939;CCC(C)=NN(C)C;WGFNKFZVRKEEAP-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104940;MM104940;C=CC(C)=CC(C)C;QETDXYPUQRTQMI-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104941;MM104941;CC(C=O)=CC(C)C;SXMYOGGQDRXLAN-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104942;MM104942;CC(C#N)=CC(C)C;BDAQROGLFIAJKL-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104943;MM104943;C=CC(C)=CC(C)N;UVUGDLATWILMQD-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104944;MM104944;N#CCc1ncc(CO)[nH]1;SZKWGOMKKOIMJO-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104945;MM104945;CC(C#N)=CC(C)O;LOPLYEJKEWKTLF-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104946;MM104946;C=CC(C)=CC(C)F;HSJCMKOBJMOWDQ-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104947;MM104947;CC(C=O)=CC(C)F;ZACNJMCELPHHIL-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104948;MM104948;CC(C#N)=CC(C)F;IRWHMVQVFOUYRU-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104949;MM104949;C=CC(C)=CC(F)F;ONLONEXZAMVYIL-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104950;MM104950;CC(C#N)=CC(F)F;WFXLLVVDNUSASI-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104951;MM104951;C=CC(F)=CC(C)C;BPICEGKKKYIZDI-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104952;MM104952;CC(C)C=C(F)C=O;DADATXPZSKXGDG-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104953;MM104953;CC(C)C=C(F)C#N;ZMUDTFLVAMUZRP-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104954;MM104954;C=CC(F)=CC(C)N;KCYZIYDXAPSXFL-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104955;MM104955;C=CC(F)=CC(C)O;ILVJILLXAZTMAM-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104956;MM104956;C=CC(F)=CC(C)F;RNJXVMFHXHYUFY-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104957;MM104957;CC(F)C=C(F)C=O;VRVBSVGXULLETR-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104958;MM104958;CC(F)C=C(F)C#N;HIYYWNQHZOZQRH-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104959;MM104959;C=CC(F)=CC(F)F;SOJUTGHSIPGUFQ-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104960;MM104960;O=CC(F)=CC(F)F;UNRZNFSJNMODHU-UHFFFAOYSA-N;124.06;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104961;MM104961;N#CC(F)=CC(F)F;CNGBJJPWARFDSR-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104962;MM104962;CC(C#N)=CN(C)C;HNUFCYBYFMHKEA-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104963;MM104963;CN(C)C=C(F)C#N;LRPPOZZCLNMCNL-UHFFFAOYSA-N;114.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104964;MM104964;C=CC(C)=NN(C)C;HSRMJXCMRYJBLN-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104965;MM104965;CC(C=O)=NN(C)C;JBZMWANQKKHSQI-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104966;MM104966;C#CC(C)=CC(C)C;HMVBQEAJQVQOTI-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104967;MM104967;C#CC(C)=CC(C)N;FBHDNQARUWJGRW-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104968;MM104968;C=NNCC=CCC=NO;XUQFJPCKGJSQAJ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104969;MM104969;C#CC(C)=CC(C)F;OHHDLXAQZLKCRH-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104970;MM104970;C#CC(C)=CC(F)F;JKBHAXFNUPMZGH-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104971;MM104971;C#CC(F)=CC(C)C;YZDKKBDCOYIQHV-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104972;MM104972;C#CC(F)=CC(C)N;BMNJCYODHYAPOG-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104973;MM104973;C#CC(F)=CC(C)O;DRLMWLVQZWQQGY-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104974;MM104974;C#CC(F)=CC(C)F;VLGFBDWCFZCRDP-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104975;MM104975;C#CC(F)=CC(F)F;IKZOXAUTJOBMET-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104976;MM104976;C=C(C)C=C(C)CC;FYQWQPVXKQWELA-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104977;MM104977;C=C(C)C=C(C)CN;DXZZYMDHWUYMOL-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104978;MM104978;C=C(C)C=C(C)CO;HCCGIYQWHSSNFP-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104979;MM104979;C=C(C)C=C(C)CF;KKJXLSKNKLWYBT-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104980;MM104980;CCC(C)=CC(C)=O;BGTFWRDJZNCBCV-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104981;MM104981;CCC(C)=CC(=N)N;FHSRHHHAYWGPPG-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104982;MM104982;CC(=CC(=N)N)CN;OXMQLRHQRSMUHS-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104983;MM104983;CC(=CC(=N)N)CO;GCNJWKQDFSEAED-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104984;MM104984;NC(CC=O)=NO;BCIIPLCHDURORU-UHFFFAOYSA-N;102.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104985;MM104985;CC(=CC(N)=O)CN;PDWWADOUKFACPL-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104986;MM104986;CCN=C1CC(=O)ON1;KMGVKHHEXYSIDA-UHFFFAOYSA-N;128.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104987;MM104987;CCC(C)=CC(=O)O;RSFQOQOSOMBPEJ-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104988;MM104988;CC(=CC(=O)O)CF;GAXRHGLNZINDJW-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104989;MM104989;C=C(F)C=C(C)CC;YTGCNQPODZQYSL-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104990;MM104990;C=C(F)C=C(C)CF;BGKAUJHGVFWDPP-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104991;MM104991;CC(=O)C=C(N)CF;ZWTDZJQTHVQLCD-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104992;MM104992;N=C(N)C=C(N)CN;SWZBLHYORHPSEV-UHFFFAOYSA-N;114.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104993;MM104993;N=C(N)C=C(N)CO;RYBAMLDOAXIMDI-UHFFFAOYSA-N;115.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104994;MM104994;N=C(N)C=C(N)CF;NKXQKNWCGCCBOU-UHFFFAOYSA-N;117.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104995;MM104995;CN=C1NCC(=NO)O1;UUIHOKIELKHSHY-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104996;MM104996;NCC(N)=CC(N)=O;VSIYHXCMQXFQRM-UHFFFAOYSA-N;115.14;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104997;MM104997;NC(=O)C=C(N)CO;RQLYXHGUYMJHIR-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104998;MM104998;CNC1=NCC(=NO)O1;UUIHOKIELKHSHY-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM104999;MM104999;N=c1c(N)c[nH]n1C=O;SNYIYRJBXSTTML-UHFFFAOYSA-N;126.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105000;MM105000;C=C(C)C=C(F)CC;TWQMOEMMUNXPSO-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105001;MM105001;C=C(C)C=C(F)CO;AWPQQDSAPTYXTN-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105002;MM105002;C=C(C)C=C(F)CF;RNVXDIMHESXUKT-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105003;MM105003;CCC(F)=CC(C)=O;HGFJOXICOOVFQO-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105004;MM105004;CC(=O)C=C(F)CF;VDKSBIHSUMRBGE-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105005;MM105005;CCC(F)=CC(=N)N;PCQZLDNUQMXEIP-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105006;MM105006;N=C(N)C=C(F)CN;QFUZBVFQQBREEI-UHFFFAOYSA-N;117.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105007;MM105007;N=C(N)C=C(F)CO;HFWHHYDEMPZKEL-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105008;MM105008;N=C(N)C=C(F)CF;NXHVQKPCFPNVKR-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105009;MM105009;ON=C1CCN(O)C=N1;LEXXWKRQFULMMS-UHFFFAOYSA-N;129.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105010;MM105010;NC(=O)C=C(F)CO;NNLHRHIXNGRRGH-UHFFFAOYSA-N;119.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105011;MM105011;CCC(F)=CC(=O)O;VXUBJKBWSJESMX-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105012;MM105012;C=C(F)C=C(F)CC;RPJFEKKJXXXOOY-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105013;MM105013;C=C(F)C=C(F)CO;YSFUASXXQGJKQF-UHFFFAOYSA-N;120.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105014;MM105014;C=C(F)C=C(F)CF;PHQPFXXBTDSEFB-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105015;MM105015;CNC(C)=CC(=N)N;NVRYXMFRHXRNRY-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105016;MM105016;C=C(C)C=C(C)OC;RJMANYMODFZUSE-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105017;MM105017;N=CNC(=O)NOCCO;WXRUMJZAHDTVRO-UHFFFAOYSA-N;147.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105018;MM105018;CN=c1cc(C#N)[nH]o1;QSECJGXGVIGMKL-UHFFFAOYSA-N;123.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105019;MM105019;C=C(F)C=C(C)OC;ULZBHQWERUGZIV-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105020;MM105020;COC(N)=CC(=N)N;UGMAMBCBKYBODF-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105021;MM105021;CN(C=NO)C(=N)C=NO;YSVDNBYEDNWUKS-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105022;MM105022;C=CC(C)=CC(=C)C;ZEHJTIRZIDHKRG-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105023;MM105023;C=C(C)C=C(C)C=O;MYMCEGMRUUIJLR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105024;MM105024;C=C(C)C=C(C)C#N;WAWATGPWIBHWBT-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105025;MM105025;C=CC(C)=CC(C)=O;NCSJOYOCUVCODH-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105026;MM105026;CC(=O)C=C(C)C#N;UBSMPEDBXKUVKF-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105027;MM105027;C=CC(C)=CC(=N)N;RIHIXMAMFICFGH-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105028;MM105028;CC(C=O)=CC(=N)N;FIGURUZUTOKXHJ-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105029;MM105029;C=CC(C)=CC(=O)O;YMQIIPLNNNGNEB-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105030;MM105030;CC(C#N)=CC(=O)O;FZZOBOGIUATLHU-UHFFFAOYSA-N;111.1;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105031;MM105031;C=CC(C)=CC(=C)F;XBPBDGZCHWDDTP-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105032;MM105032;C=C(F)C=C(C)C=O;LTMCJFHCGGOBRK-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105033;MM105033;C=C(F)C=C(C)C#N;ZTQGYDSBKRXCTN-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105034;MM105034;CC(=O)C=C(N)C=O;NXACMNYIYKJHMR-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105035;MM105035;C=CC(N)=CC(=N)N;BOHNGCUZNLYTSL-UHFFFAOYSA-N;111.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105036;MM105036;N=C(N)C=C(N)C=O;VKJGSOFQLPRBFM-UHFFFAOYSA-N;113.12;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105037;MM105037;CN(C=O)OC(=NO)NN;GCDJMQOEHYXUIG-UHFFFAOYSA-N;148.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105038;MM105038;Cc1c(O)c(N)c(F)n1O;REJMYCZPYMKHND-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105039;MM105039;C=CC(F)=CC(=C)C;YAZCOVKAJLPBBS-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105040;MM105040;C=C(C)C=C(F)C#N;FNKDENQWBBVMNT-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105041;MM105041;C=CC(F)=CC(C)=O;GHVPCGWUGWXIPN-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105042;MM105042;C=CC(F)=CC(N)=O;XWYWTNFHGPTYCF-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105043;MM105043;N#CC(F)=CC(N)=O;RYZGCTJPAFPBMR-UHFFFAOYSA-N;114.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105044;MM105044;C=CC(F)=CC(=O)O;MGZHZLQSAWUVCC-UHFFFAOYSA-N;116.09;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105045;MM105045;N#CC(F)=CC(=O)O;FGMWORBSXZAOCX-UHFFFAOYSA-N;115.06;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105046;MM105046;C=CC(F)=CC(=C)F;DDDUGZRBZKQOOF-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105047;MM105047;C=C(F)C=C(F)C#N;XHDUPPMVRRHVAF-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105048;MM105048;C#CC(C)=CC(=C)C;BCSLQJSLCRMLTP-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105049;MM105049;C#CC(C)=CC(C)=O;JQMOAGGHDHYSTO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105050;MM105050;C#CC(C)=CC(=O)O;NQBRJPXMYLMRIE-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105051;MM105051;C#CC(C)=CC(=C)F;WBNRZZKSIYFGRM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105052;MM105052;C#CC(N)=CC(=N)N;ZAZUQKOHBWIBPM-UHFFFAOYSA-N;109.13;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105053;MM105053;CCC(N)=C(C=NO)CO;LDNUBCVJPKOXQB-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105054;MM105054;Oc1cn(O)cc1F;KMYQRAGUPGZHES-UHFFFAOYSA-N;117.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105055;MM105055;C#CC(F)=CC(=C)C;XBIZMBOUCMPLJL-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105056;MM105056;C#CC(F)=CC(=O)O;HRDFLFUESMPVDH-UHFFFAOYSA-N;114.08;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105057;MM105057;C#CC(F)=CC(=C)F;OPKJXDUCQVDAFO-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105058;MM105058;CCC1(C)CC(C)C1;QQKMPNLWBHCBRZ-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105059;MM105059;CC1CC(C)(CN)C1;RFDRMEPBOMJDMJ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105060;MM105060;CCC(CF)C(=NO)NN;GGRNOVYTTZACCS-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105061;MM105061;CC1CC(C)(CF)C1;GQAFOENVCIWLIG-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105062;MM105062;CCC1(C)CC(N)C1;QOCVYUYIZOJYLU-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105063;MM105063;CC1(CN)CC(N)C1;PQLULMNQYCDVDW-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105064;MM105064;CC1(CO)CC(N)C1;CQKNXWMONHNKEH-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105065;MM105065;CC1(CF)CC(N)C1;VKIBTMIYVBTUKT-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105066;MM105066;NC(C=O)=NC(N)=NO;ZGKUDHIFMRHHHO-UHFFFAOYSA-N;130.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105067;MM105067;CC1(CN)CC(O)C1;CAVVKWWXGNFWDC-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105068;MM105068;CC1(CO)CC(O)C1;MDADILSXNVRKFH-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105069;MM105069;CC1(CF)CC(O)C1;LGLXXCIYOJCRCL-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105070;MM105070;CCC1(C)CC(F)C1;SLFYSCSOZAKCND-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105071;MM105071;CC1(CN)CC(F)C1;FJHHBYZHQXWRFI-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105072;MM105072;CC1(CO)CC(F)C1;DJQMDYYTYPDPKS-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105073;MM105073;CC1(CF)CC(F)C1;PURAFJSAKSIYOB-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105074;MM105074;CCC1(N)CC(C)C1;XSLNUJQCKAHFGP-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105075;MM105075;CC1CC(N)(CN)C1;ZFOBGONGDVDNOC-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105076;MM105076;CC1CC(N)(CO)C1;CPFSGSLNABFVRU-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105077;MM105077;CC1CC(N)(CF)C1;OCHKAMBUVDXZDO-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105078;MM105078;CCC1(N)CC(N)C1;CDOPODYAZVGBHP-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105079;MM105079;NCC1(N)CC(N)C1;ZJLKXWBADPDTNA-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105080;MM105080;NC1CC(N)(CO)C1;JNEDOVLLMQZUDI-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105081;MM105081;NC1CC(N)(CF)C1;XMVKKGUJJMFWSF-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105082;MM105082;CCC1(N)CC(O)C1;LJSUZIKAJUFWDL-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105083;MM105083;NCC1(N)CC(O)C1;PLXPWTOCDGXNFZ-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105084;MM105084;NC1(CO)CC(O)C1;RVYUBOSUUCWAFW-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105085;MM105085;NC1(CF)CC(O)C1;QMGYWMZLNBFDIP-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105086;MM105086;CCC1(N)CC(F)C1;SJXMZWBKKNNBBO-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105087;MM105087;NCC1(N)CC(F)C1;IZOHVQYDTJEJLY-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105088;MM105088;NC1(CO)CC(F)C1;JMESLWUJQFORNN-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105089;MM105089;C=COc1ncc(N)[nH]1;GMMSLQWACPCAFY-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105090;MM105090;CC1CC(O)(CN)C1;ORXFVAJBTPOWIO-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105091;MM105091;CC1CC(O)(CO)C1;WXIJPGPUCMONIH-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105092;MM105092;CC1CC(O)(CF)C1;GXJVBQXPZDLJSL-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105093;MM105093;CCC1(O)CC(N)C1;PNAWRLVMRLMYEK-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105094;MM105094;NCC1(O)CC(N)C1;QICIROGQKNLNST-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105095;MM105095;NC1CC(O)(CO)C1;VIPCYZVURGQBRM-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105096;MM105096;NC1CC(O)(CF)C1;MQURLSQQPBZKGZ-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105097;MM105097;CCC1(O)CC(O)C1;IVQCISKISSEPPK-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105098;MM105098;NCC1(O)CC(O)C1;AYECOYSQBRMCIH-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105099;MM105099;OCC1(O)CC(O)C1;FJTGZTGBRHOKNK-UHFFFAOYSA-N;118.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105100;MM105100;OC1CC(O)(CF)C1;DNYRKFVWHQYPNN-UHFFFAOYSA-N;120.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105101;MM105101;CCC1(O)CC(F)C1;CESBELHVURYJIG-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105102;MM105102;NCC1(O)CC(F)C1;WGKFSXNZOAUPQW-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105103;MM105103;OC1(CF)CC(F)C1;PDJDDKMHCGBBHY-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105104;MM105104;CCC1(F)CC(C)C1;MRYOIXVYNMQINS-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105105;MM105105;CC1CC(F)(CN)C1;QTTODXQLIKVIQP-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105106;MM105106;CC1CC(F)(CO)C1;WMHPFVDOXHPUBV-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105107;MM105107;CC1CC(F)(CF)C1;KHQVASZLUQZAPE-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105108;MM105108;CCC1(F)CC(N)C1;KGXHUSDGSPJIBM-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105109;MM105109;NCC1(F)CC(N)C1;CJZRSOCIZMIBFO-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105110;MM105110;NC1CC(F)(CO)C1;MWVVABNOIGIUPD-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105111;MM105111;NC1CC(F)(CF)C1;XSFBHTBKLDABJY-UHFFFAOYSA-N;121.13;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105112;MM105112;CCC1(F)CC(O)C1;ILWVBBOYDZJMFI-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105113;MM105113;NCC1(F)CC(O)C1;NPSHBHMEDYXSIX-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105114;MM105114;OCC1(F)CC(O)C1;LMPLRTAWSBCRHK-UHFFFAOYSA-N;120.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105115;MM105115;OC1CC(F)(CF)C1;RKAFRWCSCFUAIE-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105116;MM105116;CCC1(F)CC(F)C1;XPILPUBMBXBEGH-UHFFFAOYSA-N;120.14;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105117;MM105117;NCC1(F)CC(F)C1;ZWHOHDDLVRUDCN-UHFFFAOYSA-N;121.13;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105118;MM105118;OCC1(F)CC(F)C1;KTDOFTNVSHYTOE-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105119;MM105119;FCC1(F)CC(F)C1;MAKCIFAYXBROMS-UHFFFAOYSA-N;124.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105120;MM105120;CNC1(C)CC(C)C1;RYWQFUUDDIQOAF-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105121;MM105121;CNC1(C)CC(N)C1;CXPPAWOKMILBEA-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105122;MM105122;CNC1(C)CC(O)C1;RSYCISSLJFGSKD-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105123;MM105123;CNC1(C)CC(F)C1;NJARQDIIUBMQBJ-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105124;MM105124;COC1(C)CC(C)C1;VEQQYUYZOBQQCK-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105125;MM105125;COC1(C)CC(N)C1;JZCSXFFNNHBLHM-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105126;MM105126;COC1(C)CC(O)C1;FDVNVSVTQLQIPP-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105127;MM105127;COC1(C)CC(F)C1;XASPEGVESNMLFA-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105128;MM105128;CCC1(C)CC(C)N1;WEWIKOQYWUFKOS-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105129;MM105129;CC1CC(C)(CN)N1;LHVGBMSGKUMTMA-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105130;MM105130;CC1CC(C)(CO)N1;MPYXTZMSDCHKAU-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105131;MM105131;CC1CC(C)(CF)N1;LFZQPAVOPNMGDY-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105132;MM105132;CCC1(C)CC(C)O1;AZHPOIPRNIRSOV-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105133;MM105133;CC1CC(C)(CN)O1;MYAPCZUAWFMCJR-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105134;MM105134;CC1CC(C)(CO)O1;VOLGVHLDCZIYPK-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105135;MM105135;CC1CC(C)(CF)O1;BNUZZBVOAUUHJJ-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105136;MM105136;CCC1(C)CN(C)C1;YGHKDFLLJBXJQH-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105137;MM105137;CN1CC(C)(CN)C1;MOPQFRSFOVKIBI-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105138;MM105138;CCC1(N)CN(C)C1;LXLVTRKRVVWGDT-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105139;MM105139;CN1CC(N)(CN)C1;LLZSPYHQRXMYSA-UHFFFAOYSA-N;115.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105140;MM105140;CN1CC(N)(CO)C1;FOMGACXGTRJKSG-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105141;MM105141;CN1CC(O)(CN)C1;DZIQWOFKGBGWOD-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105142;MM105142;CCC1(F)CN(C)C1;CBKSWCJAACYDFG-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105143;MM105143;CN1CC(F)(CN)C1;ODIIIAWBIBUYHT-UHFFFAOYSA-N;118.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105144;MM105144;CC(C)(F)C(N)=CC=NO;KWVUSGJOHYMSTB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105145;MM105145;CN1CC(F)(CF)C1;ARKROLOEIDWSJF-UHFFFAOYSA-N;121.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105146;MM105146;CNC1(C)CN(C)C1;LPKPSEOZBBOONQ-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105147;MM105147;C=CC1(C)CC(C)C1;CLHRCUGWBAASEI-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105148;MM105148;CC1CC(C)(C=O)C1;OOPZZPKPWAJTDB-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105149;MM105149;CC1CC(C)(C#N)C1;ZRFMMPPCLFABRS-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105150;MM105150;C=CC1(C)CC(N)C1;LQUQTCAJLHEIMI-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105151;MM105151;N#CC(O)(C=O)CC1CN1;SKEFKBLXRPUQHN-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105152;MM105152;CC1(C=O)CC(O)C1;KDHODWBPPGSOMZ-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105153;MM105153;CC1(C#N)CC(O)C1;WFBCPSVDXDXFOD-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105154;MM105154;C=CC1(C)CC(F)C1;CUIMCZBJUJFDSM-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105155;MM105155;CC1(C=O)CC(F)C1;KADKBORYEKDCNL-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105156;MM105156;CC1(C#N)CC(F)C1;YQKKPJFYAPOCPT-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105157;MM105157;C=CC1(N)CC(C)C1;VHAAQPMKWKXMOY-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105158;MM105158;C=CC1(N)CC(N)C1;XRZFFFLVGDIKGR-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105159;MM105159;C=CC1(N)CC(O)C1;XIFUMAPQGMWHIU-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105160;MM105160;C=CC1(N)CC(F)C1;BZLDOTMKCMVEFV-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105161;MM105161;CN=NC=C(C=NO)NN;KMFIFTAZRNDEAE-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105162;MM105162;CC1CC(O)(C=O)C1;VQGQLHVHDSEGGH-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105163;MM105163;CC1CC(O)(C#N)C1;SJQQKGRMZYLSKF-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105164;MM105164;C=CC1(O)CC(N)C1;MPCBLMCTVWEFPZ-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105165;MM105165;C=CC1(O)CC(O)C1;VWLPJVVMKSQLCM-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105166;MM105166;O=CC1(O)CC(O)C1;NQRXUOVICFYJLN-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105167;MM105167;N#CC1(O)CC(O)C1;GAGAXNOKPNMLQZ-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105168;MM105168;C=CC1(O)CC(F)C1;PZRDVZLQCLEMKY-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105169;MM105169;O=CC1(O)CC(F)C1;CXAJPSKHMXTPJP-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105170;MM105170;N#CC1(O)CC(F)C1;DJJFYCIKFOJSFR-UHFFFAOYSA-N;115.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105171;MM105171;C=CC1(F)CC(C)C1;JCEDMRHPWGWBQG-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105172;MM105172;CC1CC(F)(C=O)C1;JKAIIOJLVOYKDI-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105173;MM105173;CC1CC(F)(C#N)C1;QPSAOWCMBXNGGW-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105174;MM105174;C=CC1(F)CC(N)C1;OUQOJIONCSEZEA-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105175;MM105175;C=CC1(F)CC(O)C1;SSHJTVQOOPMTNE-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105176;MM105176;O=CC1(F)CC(O)C1;ITBVKSCWKWIDGU-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105177;MM105177;N#CC1(F)CC(O)C1;ZSLHSSUBFNVWMJ-UHFFFAOYSA-N;115.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105178;MM105178;C=CC1(F)CC(F)C1;WOMVSNWXVCSXKE-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105179;MM105179;O=CC1(F)CC(F)C1;QOZVFOBWWLUADI-UHFFFAOYSA-N;120.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105180;MM105180;N#CC1(F)CC(F)C1;VEJJDEQZDKDUSM-UHFFFAOYSA-N;117.1;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105181;MM105181;C=CC1(C)CC(C)N1;OWWKQOYGNPPQOH-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105182;MM105182;CC1CC(C)(C=O)N1;PPPGEJDIUWKFNX-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105183;MM105183;CC1CC(C)(C#N)N1;KUGANJOXNRLWEI-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105184;MM105184;C=CC1(C)CC(C)O1;WENUZTVTYACDPV-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105185;MM105185;CC1CC(C)(C=O)O1;ZGAXPWUSMQHDNI-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105186;MM105186;CC1CC(C)(C#N)O1;HQSFNECTEHDWJR-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105187;MM105187;C=CC1(C)CN(C)C1;YLSVEFCGVAFKMW-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105188;MM105188;CN1CC(C)(C#N)C1;ZUTYFKQYXDCYFX-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105189;MM105189;C=CC1(N)CN(C)C1;AGYZUMBMSFVDHP-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105190;MM105190;CC1CN1CC(=NO)NN;MJTBXRPAXIYGHS-UHFFFAOYSA-N;144.18;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105191;MM105191;CC#Cc1cnc(CO)[nH]1;LDSFOPHJGIHAQT-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105192;MM105192;C=CC1(F)CN(C)C1;SVGNFRLMWYUENJ-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105193;MM105193;CN1CC(F)(C=O)C1;JQKJZBYVCALZHN-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105194;MM105194;CN1CC(F)(C#N)C1;ZIYTWSOQJZSVKV-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105195;MM105195;C#CC1(C)CC(C)C1;KPITXZIEFGTXOQ-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105196;MM105196;C#CC1(C)CC(N)C1;OFUYFRMSDXGJKG-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105197;MM105197;CN1N=C(CF)CC1=N;JGPXNXNBVRSARV-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105198;MM105198;C#CC1(C)CC(F)C1;VQHPLBVVVOKEQF-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105199;MM105199;C#CC1(N)CC(C)C1;ATVJVCCXZXVWKK-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105200;MM105200;C#CC1(N)CC(N)C1;TZNRIGNNDMFDRY-UHFFFAOYSA-N;110.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105201;MM105201;C#CC1(N)CC(O)C1;IULBQONAJFRRBC-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105202;MM105202;C#CC1(N)CC(F)C1;DQXACPAVSXURJA-UHFFFAOYSA-N;113.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105203;MM105203;C#CC1(O)CC(C)C1;QXGLGKGSTYLJKA-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105204;MM105204;C#CC1(O)CC(N)C1;GJYQTTWTHQMYNO-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105205;MM105205;C#CC1(O)CC(O)C1;SAUCDWVYTLTGNL-UHFFFAOYSA-N;112.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105206;MM105206;C#CC1(O)CC(F)C1;FEJMQYNMXBQKHV-UHFFFAOYSA-N;114.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105207;MM105207;C#CC1(F)CC(C)C1;OWGYLLYTVRULKO-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105208;MM105208;C#CC1(F)CC(N)C1;JCWVFZZJBRBEAM-UHFFFAOYSA-N;113.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105209;MM105209;C#CC1(F)CC(O)C1;RQXAOBANZVHKRM-UHFFFAOYSA-N;114.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105210;MM105210;C#CC1(F)CC(F)C1;CGILYRUKRJXHAQ-UHFFFAOYSA-N;116.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105211;MM105211;C#CC1(C)CC(C)N1;IZKLMUPJHTUDIR-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105212;MM105212;C#CC1(C)CC(C)O1;QBYSJBQNKPHSOL-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105213;MM105213;N#CC(=O)C=CC(N)=NO;LHBXBRXJKKTCDD-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105214;MM105214;C#CC1(F)CN(C)C1;LJLXSJWHVKQISC-UHFFFAOYSA-N;113.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105215;MM105215;CCC1(C)CC(=O)C1;QPQWCQFQGHGIND-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105216;MM105216;CC1(CO)CC(=O)C1;IJYXWHKZTMPPFH-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105217;MM105217;CC1(CF)CC(=O)C1;SQPHRVRMFBDDII-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105218;MM105218;CCC1(O)CC(=O)C1;CUBOJVOAPWJQDY-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105219;MM105219;O=C1CC(O)(CO)C1;POZLNWMUWPOWDF-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105220;MM105220;O=C1CC(O)(CF)C1;VKDMLQRAWVXEJV-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105221;MM105221;CCC1(F)CC(=O)C1;DWJRNBZXKXPKRA-UHFFFAOYSA-N;116.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105222;MM105222;O=C1CC(F)(CO)C1;QZOCETAZJPMOSX-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105223;MM105223;O=C1CC(F)(CF)C1;PUBXQPCNPUPGLS-UHFFFAOYSA-N;120.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105224;MM105224;CNC1(C)CC(=O)C1;FRFJBIPPQJZADH-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105225;MM105225;COC1(C)CC(=O)C1;UDIAJESVOZTOPZ-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105226;MM105226;CCC1(C)CC(=O)N1;ZAOYRNCMRCGQMR-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105227;MM105227;CC1(CN)CC(=O)N1;IOMUZVRDGGAWTI-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105228;MM105228;CC1(CO)CC(=O)N1;OPLMZDIUGIGLPO-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105229;MM105229;CC1(CF)CC(=O)N1;CDIBWIAVDIWFIT-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105230;MM105230;CCC1(C)CC(=O)O1;JVMWNSRKQYGZHD-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105231;MM105231;CC1(CN)CC(=O)O1;UEVKMVBWCGQXDW-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105232;MM105232;CC1(CO)CC(=O)O1;ZDHJQUNHFYSUOD-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105233;MM105233;CC1(CF)CC(=O)O1;CNZOZHCZPNSPOT-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105234;MM105234;C=CC1(C)CC(=O)C1;JSZCLSYHBHYKDY-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105235;MM105235;CC1(C=O)CC(=O)C1;PLZSWKREFIPTAY-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105236;MM105236;CC1(C#N)CC(=O)C1;IBGURYMREHOQDE-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105237;MM105237;C=CC1(O)CC(=O)C1;BCNPIGKJBQNUPD-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105238;MM105238;O=CC1(O)CC(=O)C1;WZAWDZQBRORSHA-UHFFFAOYSA-N;114.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105239;MM105239;N#CC1(O)CC(=O)C1;PJLLIYFIUPSILJ-UHFFFAOYSA-N;111.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105240;MM105240;C=CC1(F)CC(=O)C1;PMPJGDOTRIUKTB-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105241;MM105241;O=CC1(F)CC(=O)C1;DUBRXQMDGNNXGO-UHFFFAOYSA-N;116.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105242;MM105242;N#CC1(F)CC(=O)C1;KGONHPOVITWEAQ-UHFFFAOYSA-N;113.09;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105243;MM105243;C=CC1(C)CC(=O)N1;XXSLGFUIKKTRFN-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105244;MM105244;CC1(C=O)CC(=O)N1;JPWMVCBKVSJFPJ-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105245;MM105245;CC1(C#N)CC(=O)N1;QOFITYMTIYNPNS-UHFFFAOYSA-N;110.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105246;MM105246;C=CC1(C)CC(=O)O1;DDFYVTNGWCBOTF-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105247;MM105247;CC1(C=O)CC(=O)O1;KFYKUHLOCQRMSQ-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105248;MM105248;CC1(C#N)CC(=O)O1;JYXIVXVNGQWSGI-UHFFFAOYSA-N;111.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105249;MM105249;C#CC1(C)CC(=O)C1;AFGGUCCSJHNYHB-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105250;MM105250;C#CC1(O)CC(=O)C1;JMMLKJCXZUAZKF-UHFFFAOYSA-N;110.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105251;MM105251;C#CC1(F)CC(=O)C1;JUNCRKIWIJANJA-UHFFFAOYSA-N;112.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105252;MM105252;C#CC1(C)CC(=O)N1;HAZXLOBSCOZIND-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105253;MM105253;C#CC1(C)CC(=O)O1;LCZVDSKNQQUWCW-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105254;MM105254;CC(C)CC1(C)CC1;WFMNLJAQESABBA-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105255;MM105255;CC(N)CC1(C)CC1;ZJYAAQZAAQYVPM-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105256;MM105256;CN(C)C(=CC=NO)CF;YXUDAGYDRQFLQN-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105257;MM105257;CC(F)CC1(C)CC1;NNLOONGKASKRTN-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105258;MM105258;CC1(CC(F)F)CC1;DWMLOROGMHDGSF-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105259;MM105259;CC(C)CC1(N)CC1;YTAQAMHOCUWJIV-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105260;MM105260;CC(N)CC1(N)CC1;NKFSQTCOGXDVSN-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105261;MM105261;CC(O)CC1(N)CC1;XSVYAEBZRXEQJI-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105262;MM105262;CC(F)CC1(N)CC1;RNVKKHSSZITOAZ-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105263;MM105263;NC1(CC(F)F)CC1;UNCSPUHGMPSIPX-UHFFFAOYSA-N;121.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105264;MM105264;CN1CC1CC(=NO)NO;XMSLVESZCFBDHN-UHFFFAOYSA-N;145.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105265;MM105265;CC(N)CC1(O)CC1;JQZGAQZIOISNNT-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105266;MM105266;CC(O)CC1(O)CC1;XAEAJKZLMUCMLK-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105267;MM105267;CC(F)CC1(O)CC1;MYVXNHVCVYZOAU-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105268;MM105268;OC1(CC(F)F)CC1;JUKHMYKDXTXUFM-UHFFFAOYSA-N;122.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105269;MM105269;CC(C)CC1(F)CC1;HYWGZPVWESLCPX-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105270;MM105270;CC(N)CC1(F)CC1;IHKZFKWBDZRHII-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105271;MM105271;CC(O)CC1(F)CC1;FUPFLAVNCYBTHQ-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105272;MM105272;CC(F)CC1(F)CC1;GBXOGSBURGHJMV-UHFFFAOYSA-N;120.14;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105273;MM105273;FC(F)CC1(F)CC1;AOOAODLCODSQPG-UHFFFAOYSA-N;124.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105274;MM105274;CC(C)NC1(C)CC1;CWLYXCTYUPGRMG-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105275;MM105275;CC(C)OC1(C)CC1;TYDALWAMLXJDBB-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105276;MM105276;CN(C)CC1(C)CC1;QVEDAEAWVINBGE-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105277;MM105277;CN(C)CC1(N)CC1;ROVFTSSCUXGEQX-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105278;MM105278;CN(C)CC1(O)CC1;BCEAVHXDEGAQCS-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105279;MM105279;CC(N)CC1(C)CN1;ABFPKKKICBRWHI-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105280;MM105280;CN(C)CC1(C)CN1;IYYKLPMNYZSRPR-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105281;MM105281;CC(C)CC1(C)CO1;FUVFXUQKJGDAIH-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105282;MM105282;CC(N)CC1(C)CO1;QFRQMULDUJIOSE-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105283;MM105283;CC(O)CC1(C)CO1;YRDQUARXBVPFEL-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105284;MM105284;CC(F)CC1(C)CO1;LIFCYOWUJBWNHG-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105285;MM105285;CC1(CC(F)F)CO1;POMPPDIOVXUFAI-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105286;MM105286;CN(C)CC1(C)CO1;NGAHKWUTFUCVFL-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105287;MM105287;C=C(C)CC1(C)CC1;NMGMYTDKXHCKPU-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105288;MM105288;CC(=O)CC1(C)CC1;NBAOSBHFUTWCHC-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105289;MM105289;CC1(CC(=N)N)CC1;FHHNGNHLSASOSL-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105290;MM105290;NN=C1COC(=NO)CN1;KCRKIWYDDLOXTN-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105291;MM105291;CC1(CC(=O)O)CC1;AOPATQAZIRXNOX-UHFFFAOYSA-N;114.14;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105292;MM105292;C=C(F)CC1(C)CC1;JQGBVSGGWFBGRK-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105293;MM105293;C=C(C)CC1(N)CC1;PRWZUWMOYLCELI-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105294;MM105294;N=C(N)CC1(N)CC1;DQZZVUZASSORLN-UHFFFAOYSA-N;113.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105295;MM105295;NC(=O)CC1(N)CC1;QLJGYAZBRDOGBU-UHFFFAOYSA-N;114.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105296;MM105296;C=C(F)CC1(N)CC1;PJDOYLJKBQIOTM-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105297;MM105297;N=C1CC(CF)=NN1;RTRNNTBGUVTHCG-UHFFFAOYSA-N;115.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105298;MM105298;CC(=O)CC1(O)CC1;WOBFRPMJRYQBFK-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105299;MM105299;N=C(N)CC1(O)CC1;YOPQJKXKYDMJOH-UHFFFAOYSA-N;114.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105300;MM105300;NC(=O)CC1(O)CC1;KDXRCQSVUNMTBU-UHFFFAOYSA-N;115.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105301;MM105301;Cc1c(C=O)[nH]oc1=NO;FBZPMKKCSRPZBZ-UHFFFAOYSA-N;142.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105302;MM105302;C=C(F)CC1(O)CC1;SWAYXMPHHZGYAS-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105303;MM105303;C=C(C)CC1(F)CC1;TZDYAQSJWVXMPZ-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105304;MM105304;CC(=O)CC1(F)CC1;QKKNJODIHCEHBX-UHFFFAOYSA-N;116.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105305;MM105305;N=C(N)CC1(F)CC1;GJCNKAUYIPIUQW-UHFFFAOYSA-N;116.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105306;MM105306;NC(=O)CC1(F)CC1;UHUBOKJPBOJTPM-UHFFFAOYSA-N;117.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105307;MM105307;O=C(O)CC1(F)CC1;WIXPTDNSLNZFII-UHFFFAOYSA-N;118.11;0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105308;MM105308;C=C(F)CC1(F)CC1;XBDFHXJNIKQEDJ-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105309;MM105309;CC(=N)NC1(C)CC1;ZRZTXZQKMQGDDK-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105310;MM105310;CC(=O)NC1(C)CC1;JJJZQWXDQBOKHL-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105311;MM105311;CC1(NC(=N)N)CC1;AWAQPOQESPAXJE-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105312;MM105312;CC1(NC(N)=O)CC1;MRZHVUJQIRVWGD-UHFFFAOYSA-N;114.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105313;MM105313;C=C(C)OC1(C)CC1;CKQTVYODENVYHM-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105314;MM105314;CC(=O)OC1(C)CC1;MJRMRENRBUDEGM-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105315;MM105315;CC1(OC(N)=O)CC1;MKYXKGIEHRQLEL-UHFFFAOYSA-N;115.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105316;MM105316;CC1(CC(=N)N)CN1;BAUWMCBJJPWPTQ-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105317;MM105317;C=C(C)CC1(C)CO1;PVLNIHDBQQJCLJ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105318;MM105318;CC(=O)CC1(C)CO1;OYGDNQATCSXKEG-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105319;MM105319;CC1(CC(=N)N)CO1;OWSRTWHPWNCWPY-UHFFFAOYSA-N;114.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105320;MM105320;CC1(CC(N)=O)CO1;WYYZAVFDPDOGOB-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105321;MM105321;Cc1coc(O)c1F;GHFBGMICFAJHQP-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105322;MM105322;C=C(F)CC1(C)CO1;HQSPHLVLQRNHEK-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105323;MM105323;CN(C)C=NC(=O)NC=N;HPFSVCJCZZXDSN-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105324;MM105324;CC1(C)CC1(C)CF;YWRKKRALXIBFPM-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105325;MM105325;CC1(N)CC1(C)CN;OHCAZDQKEYQSAL-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105326;MM105326;N=C(C=NO)N(N)C=NN;UTNWMYSOFCOGIL-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105327;MM105327;CC1(O)CC1(C)CN;WGXSQNGIRARBFG-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105328;MM105328;CCC1(C)CC1(C)F;VBFZPMQHRWYVAA-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105329;MM105329;CC1(F)CC1(C)CN;YOMIELFBWRLVGE-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105330;MM105330;CCC1(C)CC1(F)F;USRDURSMBGSINL-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105331;MM105331;CC1(CN)CC1(F)F;KDDIGODUIPLHRM-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105332;MM105332;CC1(CO)CC1(F)F;LVSLCFWHJCUZNL-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105333;MM105333;CC1(CF)CC1(F)F;NISWFCNPSKZOJB-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105334;MM105334;CCC1(N)CC1(C)C;VANSIXQCUXQLMM-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105335;MM105335;CC1(C)CC1(N)CN;KLDUQYWOYTVYSC-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105336;MM105336;CC1(C)CC1(N)CO;XWALSTDMIDQTIK-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105337;MM105337;CCC1(N)CC1(C)N;FOAZNXLYLQVLPI-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105338;MM105338;CC1(N)CC1(N)CO;CKYSJFULABNADW-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105339;MM105339;CCC1(N)CC1(C)O;OQUVMWWUOAOIMC-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105340;MM105340;CCC1(N)CC1(C)F;PMSUDDMSPIJCFS-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105341;MM105341;CC1(F)CC1(N)CN;KERUKFTUIJFLLH-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105342;MM105342;N=C(C(N)=O)N(N)C=NO;BMVQCCVKZXUTRE-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105343;MM105343;CC1(N)CC1(O)CO;ZUXZNEJUWNAOKU-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105344;MM105344;CNC1(C)CC1(C)C;CWEOQKIHJRIIPH-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105345;MM105345;CNC1(C)CC1(C)N;PRVORVNPRFJDOA-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105346;MM105346;CNC1(C)CC1(C)O;LTDKVTYEYPVLIQ-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105347;MM105347;CNC1(C)CC1(C)F;OKBSFTMDFNVAOG-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105348;MM105348;COC1(C)CC1(C)C;LWLVSLIUQYDWFO-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105349;MM105349;COC1(C)CC1(C)N;KIBHXWVMWNUQBE-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105350;MM105350;COC1(C)CC1(C)O;QWFLRGUKTFSOBC-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105351;MM105351;COC1(C)CC1(C)F;KHFQGKUQFCOIJA-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105352;MM105352;CC1(C)NC1(C)CN;JZRROGBPKBCIEX-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105353;MM105353;CC1(C)NC1(C)CF;MJPSTIANSAUORV-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105354;MM105354;CCC1(C)OC1(C)C;YYJCIRVETUQAIB-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105355;MM105355;CC1(C)OC1(C)CN;IPLJLPLZTGRVKR-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105356;MM105356;CC1(C)OC1(C)CF;JIPJQYNDGBMEQA-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105357;MM105357;CC(C)(C)C1(C)CC1;FIJNNRSLZYENKJ-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105358;MM105358;CC(C)(N)C1(C)CC1;FDQVSVPAZPKZCR-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105359;MM105359;C=C(C#N)N(C=NO)NC;NHCLVZBYSCCAOR-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105360;MM105360;CC(C)(F)C1(C)CC1;ZSXHFBKKBGWIKQ-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105361;MM105361;CC(F)(F)C1(C)CC1;AVLDFDYUQYXLAV-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105362;MM105362;CC1(C(F)(F)F)CC1;HUKCWCNQJHRMBR-UHFFFAOYSA-N;124.11;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105363;MM105363;CC(C)(C)C1(N)CC1;NCBGTDPAYKAHSZ-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105364;MM105364;CC(C)(N)C1(N)CC1;ZDXHQJNPNJYZNI-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105365;MM105365;CC(C)(O)C1(N)CC1;LVXQUMSWUJPFHC-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105366;MM105366;CC(C)(F)C1(N)CC1;PXFCMGUBAYIJNM-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105367;MM105367;NC1(C(F)(F)F)CC1;FBWOFVFUKXZXKT-UHFFFAOYSA-N;125.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105368;MM105368;CC#CC(=NO)N(N)C=N;JFXMHIVLTAQVRY-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105369;MM105369;CC(C)(N)C1(O)CC1;MVTMQCPSQYNTNP-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105370;MM105370;CC(F)(F)C1(O)CC1;POPICXPAUYITON-UHFFFAOYSA-N;122.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105371;MM105371;OC1(C(F)(F)F)CC1;ZQZIYSHMRFHPKW-UHFFFAOYSA-N;126.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105372;MM105372;CC(C)(N)C1(C)CN1;PVPYGGWFVGUPJW-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105373;MM105373;CC(C)(F)C1(C)CN1;SXDAJRPLAPPIQA-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105374;MM105374;CC(F)(F)C1(C)CN1;QFCUPCXUBLPUAT-UHFFFAOYSA-N;121.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105375;MM105375;CC1(C(F)(F)F)CN1;CMUJXRYMAAXIPL-UHFFFAOYSA-N;125.09;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105376;MM105376;CC(C)(C)C1(C)CO1;WUCMVYDCMPOCQP-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105377;MM105377;CC(C)(N)C1(C)CO1;XHYGIGQZPUCRMD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105378;MM105378;CC(C)(O)C1(C)CO1;RRNYKUMJNZHGBP-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105379;MM105379;CC(C)(F)C1(C)CO1;ILUCCACCRQKDFB-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105380;MM105380;CC(F)(F)C1(C)CO1;QCPZVBRGEABATA-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105381;MM105381;CC1(C(F)(F)F)CO1;GHTAXYFAHGPYPG-UHFFFAOYSA-N;126.08;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105382;MM105382;CC1CC1C(C)(C)C;KHEZQACDBYKONX-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105383;MM105383;CC1CC1C(C)(C)N;YSAOIZMWSVVRLO-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105384;MM105384;CONC(=N)C=NO;FCXWIUGYHKEVGN-UHFFFAOYSA-N;117.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105385;MM105385;CC1CC1C(C)(C)F;KJMRETZEKPWSRS-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105386;MM105386;CC1CC1C(C)(F)F;IOMMEEDLPSAJQG-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105387;MM105387;CC1CC1C(F)(F)F;VWLXFCDOMNKRTN-UHFFFAOYSA-N;124.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105388;MM105388;CC(C)(C)C1CC1N;KHRIUKFZVVZEBY-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105389;MM105389;CC(C)(N)C1CC1N;HKGYQKZHRIKJAC-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105390;MM105390;CC(C)(O)C1CC1N;UJDAYEYPXNTGRO-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105391;MM105391;CC(C)(F)C1CC1N;XRPOJKHDUJHDAT-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105392;MM105392;CC(F)(F)C1CC1N;OGYFQNGPKWEQHY-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105393;MM105393;NC1CC1C(F)(F)F;UDWSAEWNKJDWHU-UHFFFAOYSA-N;125.09;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105394;MM105394;C#CC(=NO)N(N)C=N;CQEMJRVFASUWNP-UHFFFAOYSA-N;126.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105395;MM105395;CC(C)(N)C1CC1O;PZDHAGGAKYPGBZ-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105396;MM105396;CC(C)(O)C1CC1O;OTDXOAQJOOHTRL-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105397;MM105397;CC(C)(F)C1CC1O;OLJUKCLSHGDMLX-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105398;MM105398;CC(F)(F)C1CC1O;SJGFKICNTYXMOP-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105399;MM105399;CC(C)(C)C1CC1F;JZLRMMBVPHFTDU-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105400;MM105400;CC(C)(N)C1CC1F;AHTAGBDZWJLNDC-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105401;MM105401;CC(C)(O)C1CC1F;IMVOHKIAIFLRQP-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105402;MM105402;CC(C)(F)C1CC1F;XPNZZLNLMJMEOU-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105403;MM105403;CC(F)(F)C1CC1F;VZIPWAIOMUOEIN-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105404;MM105404;CC1NC1C(C)(C)N;OPXAVNUEGRWJKP-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105405;MM105405;CC1NC1C(C)(C)F;PYGZRUAGJWMBRY-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105406;MM105406;CC1NC1C(C)(F)F;YPAFRLORDLEZTQ-UHFFFAOYSA-N;121.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105407;MM105407;CC1NC1C(F)(F)F;DVBXRGXZWQQCFB-UHFFFAOYSA-N;125.09;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105408;MM105408;CC1OC1C(C)(C)C;CXSSHNKTSIHEFZ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105409;MM105409;CC1OC1C(C)(C)N;ZSRUYPQJVVTCNO-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105410;MM105410;CC1OC1C(C)(C)O;REBJJHOONXCNHP-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105411;MM105411;CC1OC1C(C)(C)F;SDGFNSANHUAQSY-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105412;MM105412;CC1OC1C(C)(F)F;RGKTWRVFFLGMLC-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105413;MM105413;CC1OC1C(F)(F)F;CHQUINRDKAWANM-UHFFFAOYSA-N;126.08;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105414;MM105414;CN1CC1C(C)(C)N;ZMVUMNORGIHTBX-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105415;MM105415;CN1CC1C(C)(C)F;NHSLTPUHQRTSDG-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105416;MM105416;CN1CC1C(C)(F)F;QJIDKMVXCMEMRE-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105417;MM105417;CN1CC1C(F)(F)F;GKPDMKPUPYILET-UHFFFAOYSA-N;125.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105418;MM105418;CC(C)(C)CC1CC1;IVFCPVIHLUIMSV-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105419;MM105419;CC(C)(N)CC1CC1;OECNZQDBVMOWFL-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105420;MM105420;C=CC(=N)NC(=O)NOC;VMQGSCBCNIJSOX-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105421;MM105421;CC(C)(F)CC1CC1;UHJGIHJQGIBPOE-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105422;MM105422;CC(F)(F)CC1CC1;RWRFEXHSLUNOMH-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105423;MM105423;FC(F)(F)CC1CC1;RZUIWXXZNWWSHF-UHFFFAOYSA-N;124.11;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105424;MM105424;CC(C)(C)NC1CC1;PDAMXTFQZOIJGZ-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105425;MM105425;CC(C)(C)OC1CC1;XVXPRFNJZPAPIE-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105426;MM105426;CC(C)(N)CC1CN1;HJCJVOKWLNRTMH-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105427;MM105427;CC(C)(C)CC1CO1;JFNMDOCPBNQNQR-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105428;MM105428;CC(C)(N)CC1CO1;ZZRSWORSCFJDCX-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105429;MM105429;CC(C)(O)CC1CO1;JPFWEKMZRADUPG-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105430;MM105430;CC(C)(F)CC1CO1;HGZCHAOVXZPVLM-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105431;MM105431;CC(F)(F)CC1CO1;HOTUTUVDQYNVCB-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105432;MM105432;FC(F)(F)CC1CO1;KSAGWVJHDZAMEZ-UHFFFAOYSA-N;126.08;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105433;MM105433;CC(C)(N)CN1CC1;JXQYNQZZTICLKD-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105434;MM105434;CC(C)(F)CN1CC1;HVHIQYNZZGOSNR-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105435;MM105435;CC(F)(F)CN1CC1;JQSQRQYZKHPNKU-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105436;MM105436;FC(F)(F)CN1CC1;IKYFRBAFJWDKJE-UHFFFAOYSA-N;125.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105437;MM105437;CC12CCC(C)(C1)C2;SWOPETFEIYPYRM-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105438;MM105438;CC12CCC(N)(C1)C2;ZGWJBJDPKCSNAY-UHFFFAOYSA-N;111.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105439;MM105439;CC#CC(N)=CC(C)=NO;NLCLFAKHDXLZFH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105440;MM105440;CC12CCC(F)(C1)C2;SINHTMVEXWZSGA-UHFFFAOYSA-N;114.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105441;MM105441;NC12CCC(O)(C1)C2;RLXHUTGPGICFCK-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105442;MM105442;NC12CCC(F)(C1)C2;JWSSEEFWRZXKGK-UHFFFAOYSA-N;115.15;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105443;MM105443;OC12CCC(O)(C1)C2;GRUGUTKSGYTGCV-UHFFFAOYSA-N;114.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105444;MM105444;OC12CCC(F)(C1)C2;VVHQDJSUXYVAKN-UHFFFAOYSA-N;116.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105445;MM105445;CC12COC(C)(C1)C2;OPVVYLXTTOTNAN-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105446;MM105446;CC12CC(N)(CO1)C2;AHVAATWZOGWTOX-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105447;MM105447;CC12CC(O)(CO1)C2;HKKXMNIEBVAKKO-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105448;MM105448;CC12CC(F)(CO1)C2;GIJYQPSVDALUBG-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105449;MM105449;CC12CCC(C)(C1)N2;UQWLTJLFHLSHTE-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105450;MM105450;CC12CCC(C)(C1)O2;SSWUSUGVYVIJMY-UHFFFAOYSA-N;112.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105451;MM105451;CC12C=CC(C)(C1)C2;DXJBYGXITYBSDG-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105452;MM105452;CC12C=CC(N)(C1)C2;VUDDVBSZKMUVSK-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105453;MM105453;CNC(C=O)C(=O)C(=N)N;HUJXEATXLSKRSU-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105454;MM105454;CC12C=CC(F)(C1)C2;PLYOJRKBONUZCC-UHFFFAOYSA-N;112.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105455;MM105455;NC12C=CC(N)(C1)C2;NJXPISRYTSCLNF-UHFFFAOYSA-N;110.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105456;MM105456;NC12C=CC(O)(C1)C2;ILPXWRZENPHTSB-UHFFFAOYSA-N;111.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105457;MM105457;NC12C=CC(F)(C1)C2;BBZCSQMDNKXSPH-UHFFFAOYSA-N;113.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105458;MM105458;OC12C=CC(O)(C1)C2;BZOWUDXEXXRNOT-UHFFFAOYSA-N;112.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105459;MM105459;OC12C=CC(F)(C1)C2;RVRCAJHERPEWSI-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105460;MM105460;FC12C=CC(F)(C1)C2;GLLMNSMVUUSTSO-UHFFFAOYSA-N;116.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105461;MM105461;CC12C=CC(C)(C1)N2;OCHIZMOLXUANQI-UHFFFAOYSA-N;109.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105462;MM105462;CC12C=CC(C)(C1)O2;XHNMGHZQKXHZBX-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105463;MM105463;CCCCCC(C)C;JVSWJIKNEAIKJW-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105464;MM105464;CC(C)CCCCN;FBKYCBKRNDJLCX-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105465;MM105465;NC(=CC=NO)C(O)CO;AKFAYKCQUMJYDF-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105466;MM105466;CC(C)CCCCF;YUFMFWAITISIPC-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105467;MM105467;CCCCCC(C)N;VSRBKQFNFZQRBM-UHFFFAOYSA-N;115.22;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105468;MM105468;CC(N)CCCCF;YBTLWMFMLBTJSX-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105469;MM105469;NNC(=NO)N(N)C=NO;MFEJODFUBZPPPX-UHFFFAOYSA-N;148.13;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105470;MM105470;CN=CN1C=NC(=NO)C1;WDZYXVCNZBMLGH-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105471;MM105471;CCCCCC(C)F;PMRPAQPKUQJWLD-UHFFFAOYSA-N;118.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105472;MM105472;C#CC(=NO)C(=C)C1CN1;SZQMTYUIOVHOBO-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105473;MM105473;CC(F)CCCCF;JLBFQCPDQFSEBY-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105474;MM105474;CCCCCC(F)F;PEGQMHNLNMIEQD-UHFFFAOYSA-N;122.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105475;MM105475;ON=C1CN=C(CF)NC1;FAXNCOZWYLCAEJ-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105476;MM105476;CNCCCC(C)C;TUCUVZHDJRMHQX-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105477;MM105477;COCCCC(C)C;QQSGNPVQVZONMP-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105478;MM105478;COCCCC(C)O;PDMAJFCAGVQTSM-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105479;MM105479;COCCCC(C)F;ROJVSSXSPIAHFZ-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105480;MM105480;COCCCC(F)F;CDZDYDDTUAPOCV-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105481;MM105481;CCNCCC(C)C;TZTQUOTYYSUZNA-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105482;MM105482;CCOCCC(C)C;HQUVLOKKTRUQNI-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105483;MM105483;CCOCCC(C)N;LEVGELDCDWLKTD-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105484;MM105484;CCOCCC(C)O;PIYVGPKPVKCJMQ-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105485;MM105485;CCOCCC(C)F;HQODBJUEFZTZOT-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105486;MM105486;CCOCCC(F)F;PXSXTKANZWCTSS-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105487;MM105487;CCCNCC(C)C;SQGSVBHTFQOZDL-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105488;MM105488;CC(C)CNCCN;RJCXIVJEQLXULD-UHFFFAOYSA-N;116.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105489;MM105489;CC(C)CNCCF;RTNURGSWVFDNJG-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105490;MM105490;CC(N)CNCCN;WEIVEBIRFQGROM-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105491;MM105491;CC(N)CNCCO;XALTWITXELVMHP-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105492;MM105492;CC(N)CNCCF;SJBHLUUGLSJABU-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105493;MM105493;CC(O)CNCCN;CWKVFRNCODQPDB-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105494;MM105494;CC(O)CNCCO;GBAXGHVGQJHFQL-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105495;MM105495;CC(O)CNCCF;HLGSCDBSVNVFMP-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105496;MM105496;CCCNCC(C)F;PIGASFVMBYJAFY-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105497;MM105497;CC(F)CNCCN;DZLPDZPRYLRFSZ-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105498;MM105498;CC(F)CNCCO;CMHBIVOHSVWSQG-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105499;MM105499;NCCNCC(F)F;LBBMNSKGMPVJNM-UHFFFAOYSA-N;124.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105500;MM105500;CCCOCC(C)C;NKBWHRMIYKMDDN-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105501;MM105501;CC(C)COCCN;ZSLFISNFWCDEIC-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105502;MM105502;CC(C)COCCO;HHAPGMVKBLELOE-UHFFFAOYSA-N;118.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105503;MM105503;CC(C)COCCF;CVGIDNQLKQUKSF-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105504;MM105504;CCCOCC(C)N;XJAWOTBZMRYRLM-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105505;MM105505;CC(N)COCCN;JTGKPDCMOBVVPL-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105506;MM105506;CC(N)COCCO;PPMDUWWPENXLAV-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105507;MM105507;CC(N)COCCF;GCDLSXMEBKPFEF-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105508;MM105508;CCCOCC(C)O;FENFUOGYJVOCRY-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105509;MM105509;CC(O)COCCN;FFLMUFFQUDIOGS-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105510;MM105510;CC(O)COCCO;MLHQPPYBHZSBCX-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105511;MM105511;CC(O)COCCF;UBLYTSGAYGPHOH-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105512;MM105512;CCCOCC(C)F;OIVQSRASAAPTAB-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105513;MM105513;CC(F)COCCN;SZSLXVKTILKQIE-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105514;MM105514;CCCOCC(F)F;ZBHJFASPUQYLPG-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105515;MM105515;COCOCC(C)N;GVMORQQUUVGOKM-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105516;MM105516;COCOCC(C)O;NGHYESWXYDPIII-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105517;MM105517;COCOCC(F)F;VYTQYXBBYKVROC-UHFFFAOYSA-N;126.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105518;MM105518;CCCCNC(C)C;OKRJGUKZYSEUOY-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105519;MM105519;CC(C)NCCCN;KFDIDIIKNMZLRZ-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105520;MM105520;COCCNC(C)C;UMCVTLHNNUEZDO-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105521;MM105521;CCCCOC(C)C;GPDFVOVLOXMSBT-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105522;MM105522;CC(C)OCCCO;GBSGXZBOFKJGMG-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105523;MM105523;CC(C)OCCCF;IYTWMLXTXNXYGC-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105524;MM105524;CNCCOC(C)C;RSOOVQCAMBUOOD-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105525;MM105525;COCCOC(C)C;OAXIUZFXLOZILE-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105526;MM105526;CCOCOC(C)C;GZHOLMQPIDPJDF-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105527;MM105527;CCCCCN(C)C;IDFANOPDMXWIOP-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105528;MM105528;CN(C)CCCCN;GCOWZPRIMFGIDQ-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105529;MM105529;CN(C)CCCCF;STLAUAXSMZVRFD-UHFFFAOYSA-N;119.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105530;MM105530;CCOCCN(C)C;CSBDTEMAXHVRBB-UHFFFAOYSA-N;117.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105531;MM105531;C=CCCCC(C)C;DFVOXRAAHOJJBN-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105532;MM105532;CC(C)CCCC=O;GEKRISJWBAIIAA-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105533;MM105533;CC(C)CCCC#N;CHWIKAJVZUSSML-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105534;MM105534;C=CCCCC(C)N;AGBVYRPRJCPFPY-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105535;MM105535;CN=C1CC(CF)=NN1;NREVPWOPHRYPCX-UHFFFAOYSA-N;129.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105536;MM105536;C=CCCCC(C)F;POGNDCLBGLHPTF-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105537;MM105537;CC(F)CCCC=O;QSNMOVUTJLQAGR-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105538;MM105538;CC(F)CCCC#N;CWHSTEPNSOSTRW-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105539;MM105539;C=CCCCC(F)F;FFKBIWLJTSNHMZ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105540;MM105540;O=CCCCC(F)F;SLVWHEHJRFXKRY-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105541;MM105541;CC(C)CCNC=N;NFEUSGGSSHKMLS-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105542;MM105542;C#Cc1cnc(CO)[nH]1;GQOIMKDVMJBLEM-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105543;MM105543;CC(N)CCNC=N;LLKKALPMUUJCQI-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105544;MM105544;CC(N)CCNC=O;QJMIQZALISCQSW-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105545;MM105545;CC(O)CCNC=N;OQRXUHBSYJQYOQ-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105546;MM105546;CC(O)CCNC=O;LOFGWPIGHFYTJF-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105547;MM105547;C=COCCC(C)C;QIUCYKBVFAPWRR-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105548;MM105548;CC(C)CCOC=O;XKYICAQFSCFURC-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105549;MM105549;C=COCCC(C)O;YQMANMTVEHKOHX-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105550;MM105550;CC(O)CCOC=O;STZNIEMOZLXLPU-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105551;MM105551;C=COCCC(C)F;RHPJVYYQNHJRAU-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105552;MM105552;CC(F)CCOC=O;IEPKWZXSXTVJEH-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105553;MM105553;C=COCCC(F)F;NAIKKSZIYODYQS-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105554;MM105554;C=NOCCC(C)C;AIEGCKVYLRCHIO-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105555;MM105555;C=NOCCC(C)N;BZEXKCHNNQYZSW-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105556;MM105556;C=NOCCC(C)F;MZSOAXVJYCFEFS-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105557;MM105557;C=NOCCC(F)F;NNRXRRCUYHXENW-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105558;MM105558;C=CCNCC(C)C;DNUGOKVTBKQMNS-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105559;MM105559;CC(C)CNCC=O;HTQHPSIJXKLTGQ-UHFFFAOYSA-N;115.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105560;MM105560;CC=C(F)CC(=NO)NC;NACSBCJLYHGVJU-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105561;MM105561;C=CN(N)C(C=NO)=NN;GEKJQNNZBRAKFO-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105562;MM105562;C=COCC(C=NO)=CN;HIILIXZCLBOESY-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105563;MM105563;CC(N)CNNC=N;FEIYMYDRIIXICJ-UHFFFAOYSA-N;116.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105564;MM105564;CC(N)CNNC=O;FSFNQQZFQUZSLY-UHFFFAOYSA-N;117.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105565;MM105565;CC(O)CNNC=N;QXFZCXNZUOUSCB-UHFFFAOYSA-N;117.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105566;MM105566;CN(C)C(CNC=O)=NO;MVXLIECVYNFORN-UHFFFAOYSA-N;145.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105567;MM105567;COC(=NO)N(N)C=NN;BSAXZRXETPGZER-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105568;MM105568;N=CNNCC(F)F;GATCMLRIPHOXAS-UHFFFAOYSA-N;123.11;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105569;MM105569;O=CNNCC(F)F;DUXPKIZFDCXVBM-UHFFFAOYSA-N;124.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105570;MM105570;C=CCOCC(C)C;KULJXKGAHBEJEC-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105571;MM105571;CC(C)COCC=O;CRRCPDBCAMWEMU-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105572;MM105572;CC(C)COCC#N;GXCAJCFWDNSWRV-UHFFFAOYSA-N;113.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105573;MM105573;CC(O)COCC=O;XMMHFUKLRRNIRZ-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105574;MM105574;C=CCOCC(C)F;JXWNZBBMSVHLMD-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105575;MM105575;C=CCOCC(F)F;MBVZDLLNSHZDIC-UHFFFAOYSA-N;122.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105576;MM105576;CC(C)CONC=O;JCZWKJAFARCCOR-UHFFFAOYSA-N;117.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105577;MM105577;CC(N)CONC=N;WGYJAEBUOCYOJA-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105578;MM105578;CC(N)CONC=O;QVSPIAHPVXZWMQ-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105579;MM105579;CC(O)CONC=N;DIWHFXLMROUHAU-UHFFFAOYSA-N;118.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105580;MM105580;CC(O)CONC=O;VUNJOYZECWOEAD-UHFFFAOYSA-N;119.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105581;MM105581;CC(F)CONC=N;XSKXBDNEPQJZHT-UHFFFAOYSA-N;120.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105582;MM105582;CC(F)CONC=O;CJDRUPHURYXGCU-UHFFFAOYSA-N;121.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105583;MM105583;O=CNOCC(F)F;IHESWVQZXFTSHO-UHFFFAOYSA-N;125.07;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105584;MM105584;C=CCCNC(C)C;BDZOFQFADBDZEP-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105585;MM105585;CC(C)NCCC=O;ZKKKSDCQNFXVTB-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105586;MM105586;C=CCCOC(C)C;ZBYFXOBKWLBWJY-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105587;MM105587;CC(C)OCCC=O;VAIKTXWFMQAHMV-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105588;MM105588;C=COCOC(C)C;QHVRLSQFQRECIV-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105589;MM105589;C=NOCOC(C)C;OUNIBIVAVRMHDQ-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105590;MM105590;C=CCCCN(C)C;RWKDECTXBYSORQ-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105591;MM105591;CN(C)CCNC=N;LEIBDNMZEJWTML-UHFFFAOYSA-N;115.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105592;MM105592;CN(C)CCNC=O;LUYKQNSSAITKCU-UHFFFAOYSA-N;116.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105593;MM105593;C#CCCCC(C)C;CODOVMCZKJILBE-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105594;MM105594;C#CCCCC(C)N;XYRCWQVGVLCRGQ-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105595;MM105595;NC1=CC(=NO)C2CC12O;RRCKKKWZRAFBOL-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105596;MM105596;C#CCCCC(C)F;JZMIVTOIVREJFC-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105597;MM105597;C#CCCCC(F)F;ISKMWXVLJJPSHG-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105598;MM105598;C#CCNCC(C)C;RFFUJWHJKXZOIG-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105599;MM105599;C#CCNCC(C)N;QTLBUBZDTFEABZ-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105600;MM105600;C#CCOCC(C)C;AVUQTGFHAOTVMS-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105601;MM105601;C#CCOCC(C)F;AWRAMDACYVOCJS-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105602;MM105602;C#CCOCC(F)F;KHOHVPYOXLNELV-UHFFFAOYSA-N;120.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105603;MM105603;C#CCCNC(C)C;CJRJJMCPNNLVTR-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105604;MM105604;C#CCCOC(C)C;OQEBOHLXPQRMDW-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105605;MM105605;C#CCCCN(C)C;IXRYRPFJSYUEDD-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105606;MM105606;C=C(C)CCCCC;RCBGGJURENJHKV-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105607;MM105607;C=C(C)CCCCN;PDOXICOIKJTMTL-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105608;MM105608;CCN=C1CC(CF)=NN1;RTMVRMHAFLBZGT-UHFFFAOYSA-N;143.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105609;MM105609;C=C(C)CCCCF;IQFREXTWCODJMB-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105610;MM105610;CCCCCC(C)=O;CATSNJVOTSVZJV-UHFFFAOYSA-N;114.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105611;MM105611;C#CC1NC1CC(C)=NO;HTXFUGXXHGKHNI-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105612;MM105612;CCCCCC(=N)N;XZSXCKGIKBUXEN-UHFFFAOYSA-N;114.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105613;MM105613;N=C(N)CCCCO;LWYKJYLCTATPBU-UHFFFAOYSA-N;116.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105614;MM105614;NNC1=NCC(=NO)CO1;NFIVOBDLDKTMMM-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105615;MM105615;NCCCCC(N)=O;OTIAVLWNTIXJDO-UHFFFAOYSA-N;116.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105616;MM105616;C=C(F)CCCCC;XIRAIQSKKSVWKS-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105617;MM105617;CN=C1NCC(=O)N1;BNGKQWIJWSOEQM-UHFFFAOYSA-N;113.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105618;MM105618;C=C(F)CCCCF;KQRDUODAOQOWPH-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105619;MM105619;C=C(C)CCCOC;BQMHHZZOYNVFSC-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105620;MM105620;COCCCC(=N)N;PORUULVZUHMYKC-UHFFFAOYSA-N;116.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105621;MM105621;CC1C(=O)N=CN1N;KYUPWOPVNORBDE-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105622;MM105622;C=C(F)CCCOC;VONAMEKAACVEAH-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105623;MM105623;CCNCCC(=N)N;VILYHUMGCOPJBH-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105624;MM105624;CCNCCC(N)=O;PPUXNQHLNOVQRG-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105625;MM105625;C=C(C)CCOCC;QXYHNZIBRQTYBY-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105626;MM105626;CCOCCC(=N)N;ANZMGBWGDBBELF-UHFFFAOYSA-N;116.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105627;MM105627;CCOCCC(N)=O;WGVNJQHQQWPGJL-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105628;MM105628;C=C(F)CCOCC;NDCTUZXYGADVHA-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105629;MM105629;N=C(N)CNCCN;ZCJXITKBOIYTAO-UHFFFAOYSA-N;116.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105630;MM105630;N=C(N)CNCCO;BXAXURAHQPBFAI-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105631;MM105631;N=C(N)CNCCF;XOIKDLMSFJCAJA-UHFFFAOYSA-N;119.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105632;MM105632;NCCNCC(N)=O;RDVCCJOZVDOCSX-UHFFFAOYSA-N;117.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105633;MM105633;C=C(F)CNCCN;NPUUAYPTVZGFSC-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105634;MM105634;C=C(C)COCCC;WZZGWPLYYJIOLW-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105635;MM105635;C=C(C)COCCN;PTLBSSHGCAVKNI-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105636;MM105636;C=C(C)COCCO;HGZYNOXVRGBQKB-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105637;MM105637;C=C(C)COCCF;QTVAGFCYMQRFJO-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105638;MM105638;CCCOCC(C)=O;XDUMOUTWQVQHII-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105639;MM105639;CC(=O)COCCO;WUIPYXYXHSVAIP-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105640;MM105640;CCCOCC(=N)N;BCAJZQMKPNETPR-UHFFFAOYSA-N;116.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105641;MM105641;N=C(N)COCCN;YBKVYCKTGKUTJL-UHFFFAOYSA-N;117.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105642;MM105642;N=C(N)COCCO;CESAAFCIFNBFCU-UHFFFAOYSA-N;118.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105643;MM105643;N=C(N)COCCF;FOCVFNDCNPGGBD-UHFFFAOYSA-N;120.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105644;MM105644;NCCOCC(N)=O;XRVGAZQKAXSYSB-UHFFFAOYSA-N;118.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105645;MM105645;NC(=O)COCCO;INNWRDCESBMSQK-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105646;MM105646;NC(=O)COCCF;HLXWWZWJFTVWTM-UHFFFAOYSA-N;121.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105647;MM105647;Cc1oc(O)c(O)c1F;SPOFVNHCIHDLMM-UHFFFAOYSA-N;132.09;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105648;MM105648;C=C(F)COCCC;OMZRDXITHJLGNF-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105649;MM105649;C=C(F)COCCF;UIBFWMFSBUBIDR-UHFFFAOYSA-N;122.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105650;MM105650;C=C(C)COCOC;SQJKHFQRGDUZTR-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105651;MM105651;COCOCC(=N)N;DVHAHPUKYBAJMJ-UHFFFAOYSA-N;118.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105652;MM105652;COCOCC(N)=O;ARTJULMHBOYGKR-UHFFFAOYSA-N;119.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105653;MM105653;Oc1cocc1O;ULYSABNRLLVZCE-UHFFFAOYSA-N;100.07;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105654;MM105654;C=C(F)COCOC;KFCUANCUNFVONS-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105655;MM105655;CC(=O)NCCCN;YFZBPSXRYCOKCW-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105656;MM105656;CC(=O)NCCCO;LEICDYOVJNQLTN-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105657;MM105657;N=C(N)NCCCN;WRGLZNWEJGKYHH-UHFFFAOYSA-N;116.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105658;MM105658;N=C(N)NCCCO;JDXXTKLHHZMVIO-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105659;MM105659;N=C(N)NCCCF;YPOVABJVERNTDR-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105660;MM105660;NCCCNC(N)=O;MXURTTXZWPAHAH-UHFFFAOYSA-N;117.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105661;MM105661;NC(=O)NCCCO;DNPHEDNKXRMPAX-UHFFFAOYSA-N;118.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105662;MM105662;CNCCNC(C)=N;KEEKBGNIIDBATI-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105663;MM105663;CNCCNC(=N)N;SQSBLUIWTSIEBA-UHFFFAOYSA-N;116.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105664;MM105664;CNCCNC(N)=O;CHPKWMOVHXPCNW-UHFFFAOYSA-N;117.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105665;MM105665;COCCNC(C)=N;QPFHWNDHJMTICZ-UHFFFAOYSA-N;116.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105666;MM105666;COCCNC(=N)N;XNPSFFSMEXSPKL-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105667;MM105667;COCCNC(N)=O;IHCDQQHNHQCALV-UHFFFAOYSA-N;118.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105668;MM105668;CCCNNC(C)=N;VKBLEIVFIBXTLZ-UHFFFAOYSA-N;115.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105669;MM105669;CC(=N)NNCCN;YGLCQNZXZCMXBY-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105670;MM105670;CC(=N)NNCCF;KCSHZLOIRWMGRE-UHFFFAOYSA-N;119.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105671;MM105671;CCN=C1NCC(=O)N1;LXTQUJZBKSIEEG-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105672;MM105672;CC(=O)NNCCN;FBABCUUKKZORTB-UHFFFAOYSA-N;117.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105673;MM105673;COC(=NO)N(N)C=N;FCNXQNYZWRAANG-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105674;MM105674;CCCNNC(=N)N;DZRRFXIGJMIHGM-UHFFFAOYSA-N;116.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105675;MM105675;N=C(N)NNCCN;JTOWIKKIZLSEPM-UHFFFAOYSA-N;117.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105676;MM105676;N=C(N)NNCCO;ORXISKSQNZSWLS-UHFFFAOYSA-N;118.14;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105677;MM105677;N=C(N)NNCCF;UGIKCHBNCQJPST-UHFFFAOYSA-N;120.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105678;MM105678;NCCNNC(N)=O;LWENQSPUWZXUGI-UHFFFAOYSA-N;118.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105679;MM105679;CCONC(=O)NC(C)=N;UFEQGVXLGAVBNC-UHFFFAOYSA-N;145.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105680;MM105680;NC(=O)NNCCF;IJWJSPNTTGXJMO-UHFFFAOYSA-N;121.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105681;MM105681;CC(=N)NOCCN;TVOIHUVVGMMICG-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105682;MM105682;CC(=O)NOCCN;YHVVDLXPWGMAGV-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105683;MM105683;CC(=O)NOCCO;CWIYMXAWXKJCBB-UHFFFAOYSA-N;119.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105684;MM105684;CC(=O)NOCCF;RRYZZPSNTTYWFQ-UHFFFAOYSA-N;121.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105685;MM105685;CCCONC(=N)N;JPGMSPJHRKUMDF-UHFFFAOYSA-N;117.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105686;MM105686;N=C(N)NOCCN;BIDVOHAOEYGJQV-UHFFFAOYSA-N;118.14;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105687;MM105687;N=C(N)NOCCO;PYGGRDOAXYJYHK-UHFFFAOYSA-N;119.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105688;MM105688;N=C(N)NOCCF;GGJDLFRNUGXSQD-UHFFFAOYSA-N;121.12;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105689;MM105689;NC(=O)NOCCO;VMGAKCBEHXSMDA-UHFFFAOYSA-N;120.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105690;MM105690;NC(=O)NOCCF;VJDASZJQKHYOAB-UHFFFAOYSA-N;122.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105691;MM105691;C=C(C)OCCCC;LBFTVBIHZPCKME-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105692;MM105692;C=C(C)OCCCO;CSMLUHZWKKGYLN-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105693;MM105693;CCCCOC(C)=O;DKPFZGUDAPQIHT-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105694;MM105694;N=C(N)OCCCN;QIIYQINCAILUQM-UHFFFAOYSA-N;117.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105695;MM105695;N=C(N)OCCCO;GBTCHKKHOGNRBM-UHFFFAOYSA-N;118.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105696;MM105696;NCCCOC(N)=O;OUHPEQFMFIKJQZ-UHFFFAOYSA-N;118.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105697;MM105697;CNCCOC(=N)N;VBNHUJOVHVYEEX-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105698;MM105698;CNCCOC(N)=O;LKUZWHWTXFALOC-UHFFFAOYSA-N;118.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105699;MM105699;C=C(C)OCCOC;FDAGZGXFYCZZLX-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105700;MM105700;COCCOC(=N)N;IHTGECQHPHDFJB-UHFFFAOYSA-N;118.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105701;MM105701;C=C(C)OCOCC;JKVNXWYWMGRVBU-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105702;MM105702;CCOCOC(=N)N;DRIPDFSUNUIMEG-UHFFFAOYSA-N;118.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105703;MM105703;CCOCOC(N)=O;WYKBYDKGCHFXNG-UHFFFAOYSA-N;119.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105704;MM105704;C=CCCCC(=C)C;XNUNYHQZMMREQD-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105705;MM105705;C=C(C)CCCC=O;SAOSSYJSFYJLSR-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105706;MM105706;C=C(C)CCCC#N;NETAIQQWYLQFTM-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105707;MM105707;C=CCCCC(C)=O;JJVHJHWEVLXYCJ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105708;MM105708;CC(=O)CCCC=O;UCAQDIQSNVAWBD-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105709;MM105709;N=C(N)CCCC=O;YEWIBWOAWSMINV-UHFFFAOYSA-N;114.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105710;MM105710;C=CCCCC(=O)O;XUDOZULIAWNMIU-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105711;MM105711;C=CCCCC(=C)F;QXNYAJGCKSNBGK-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105712;MM105712;C=C(F)CCCC=O;XKPCWRYARMQOMT-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105713;MM105713;C=C(C)CCNC=N;OMWXCUPMSKNUFK-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105714;MM105714;CC(F)C(=N)N(N)C=NO;CEVXZMIGMGNYFD-UHFFFAOYSA-N;148.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105715;MM105715;N=CNCCC(=N)N;DRDNNXYZZBPGJV-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105716;MM105716;N=C(N)CCNC=O;PEFGRDNFSXBBLB-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105717;MM105717;N=CNCCC(N)=O;UCJMEZHAWGFDMM-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105718;MM105718;NC(=O)CCNC=O;JFSPISSLDZBTHD-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105719;MM105719;Oc1c2oc(c1O)CC=C2;XDSIBCJVROHXSP-UHFFFAOYSA-N;138.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105720;MM105720;C=NNCCC(=N)N;JCOOGGFTRCQHPP-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105721;MM105721;NC(C=CCF)=CC=NO;KMIKPQZHLUTDIT-UHFFFAOYSA-N;144.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105722;MM105722;Nc1oc(F)c(N)c1O;LVMZNKCMZQHRKX-UHFFFAOYSA-N;132.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105723;MM105723;C=NNCCC(=C)F;IDOCYZVXYBZIAL-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105724;MM105724;C=COCCC(=C)C;KORHTFLGAWRWPZ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105725;MM105725;C=C(C)CCOC=O;OXPJATHOZZHQJK-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105726;MM105726;C=COCCC(=N)N;FCXKZCOTAGLFCR-UHFFFAOYSA-N;114.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105727;MM105727;N=C(N)CCOC=O;AEIZJAYFARTFRM-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105728;MM105728;C=COCCC(N)=O;COLWBXAKPWIFBN-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105729;MM105729;NC(=O)CCOC=O;ZOWFFZMKODDJPO-UHFFFAOYSA-N;117.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105730;MM105730;Nc1c(O)coc1CO;YGAKDBJQWRILLQ-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105731;MM105731;C=COCCC(=C)F;GNHDRPKTRKCQOT-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105732;MM105732;C=C(F)CCOC=O;RMPNHYIIGCGPRL-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105733;MM105733;C=NOCCC(=C)C;SLVYOOWOWIIRAU-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105734;MM105734;C=NOCCC(=N)N;LVEQUWWMXYLMKD-UHFFFAOYSA-N;115.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105735;MM105735;C#CCOC(=NO)NC=N;RLJGNILCYATECZ-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105736;MM105736;C=C(C#N)OC(CO)=NO;KYUZQWABQBIHSF-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105737;MM105737;C=NOCCC(=C)F;UTHGQIRAOJJTST-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105738;MM105738;C=C(C)CNCC#N;UIFNLTINDMYEDT-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105739;MM105739;C=CCNCC(=N)N;WIMNVCUGCLTAJB-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105740;MM105740;N=C(N)CNCC=O;CNYHZULKYMJLTD-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105741;MM105741;N#CCNCC(=N)N;HOERPMFHEQTPLM-UHFFFAOYSA-N;112.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105742;MM105742;CONC(=O)ON=CC=O;NHVPTKYFWVADIF-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105743;MM105743;C=C(C)CNNC=N;UKHQMRUXMKTRSE-UHFFFAOYSA-N;113.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105744;MM105744;COc1ncc(C(C)C)[nH]1;OXIOJSZCBCSVGC-UHFFFAOYSA-N;140.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105745;MM105745;CC(=O)CNN=CN;FEXMJVWNGARZQN-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105746;MM105746;N=CNN=CONC=NO;ZWHFKSNNWQRMFN-UHFFFAOYSA-N;145.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105747;MM105747;N=CNNCC(=N)N;LYLTUJGNQRTGAV-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105748;MM105748;N=C(N)CNNC=O;BHHDKKKBMLHZTP-UHFFFAOYSA-N;116.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105749;MM105749;N=CNNCC(N)=O;IMWVJRPNIWMOIF-UHFFFAOYSA-N;116.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105750;MM105750;COC(=N)N(N)C=NO;GSUKAXBOKJLWHX-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105751;MM105751;N#CC(=CF)C(O)C=NO;BJPGQCATZBTXPZ-UHFFFAOYSA-N;144.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105752;MM105752;C=CCOCC(=C)C;AOCWWIFKJRJLOP-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105753;MM105753;C=CCOCC(C)=O;QWKHXKFUGFQWAQ-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105754;MM105754;CC(=O)COCC#N;WYDPVSFTQRJBLK-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105755;MM105755;C=CCOCC(=N)N;VVVBVNRVIPQZMR-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105756;MM105756;N=C(N)COCC=O;ZECNXGCYBZFRLN-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105757;MM105757;C=CCOCC(N)=O;WKAPDSOUKRNDLE-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105758;MM105758;NC(=O)COCC=O;HOOTXWKBCJLLKX-UHFFFAOYSA-N;117.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105759;MM105759;CC(C)OCC(CO)=NO;IITPBCWFYCNRAG-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105760;MM105760;C=CC(O)C(C)(F)C=NO;ROGZIPUVOFRJJL-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105761;MM105761;C=CCOCC(=C)F;ZWZVZVRIAJPFRQ-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105762;MM105762;C=C(F)COCC#N;IESRAMRDFDDPDT-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105763;MM105763;N=CNOCC(=N)N;SGVNKQRELNZVCE-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105764;MM105764;N=C(N)CONC=O;YESQSRZRRAKHLJ-UHFFFAOYSA-N;117.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105765;MM105765;N=CNOCC(N)=O;OMEJNBLDLAUJKQ-UHFFFAOYSA-N;117.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105766;MM105766;NC(=O)CONC=O;OGMKUEAALQRKEH-UHFFFAOYSA-N;118.09;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105767;MM105767;Nn1c(=O)nc(O)n1O;MJDXJWDZGPISCJ-UHFFFAOYSA-N;132.08;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105768;MM105768;C=C(F)CONC=N;KZCVFTSNMXRHPG-UHFFFAOYSA-N;118.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105769;MM105769;C=CCCNC(C)=N;HXGMCPLCXDZURH-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105770;MM105770;CC(=N)NCCC=O;HVPFMUCITQRFTM-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105771;MM105771;N=C(N)NCCC=O;MQLMWJYRIJSPAE-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105772;MM105772;NC(=O)NCCC=O;BCRYDWHOCMGFDI-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105773;MM105773;CC(=N)NNCC=O;FNXAFMWBBPZRIO-UHFFFAOYSA-N;115.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105774;MM105774;CC(=N)NNCC#N;LFVBTBZMSINEKE-UHFFFAOYSA-N;112.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105775;MM105775;NC=NC(=NN)C(=O)NN;MQQLHXPFSJTXTE-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105776;MM105776;CC(=O)NNCC=O;GJGLMZYKROJKPN-UHFFFAOYSA-N;116.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105777;MM105777;C=CCNNC(=N)N;QMUQNBMVJINJSD-UHFFFAOYSA-N;114.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105778;MM105778;N=C(N)NNCC=O;YXKIFURFXZUBHY-UHFFFAOYSA-N;116.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105779;MM105779;N#CCNNC(=N)N;XNZQQGNTBJYKEI-UHFFFAOYSA-N;113.12;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105780;MM105780;NNC(=NO)OCOC=O;XJQRFEICDMQJKP-UHFFFAOYSA-N;149.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105781;MM105781;NC(=O)NNCC=O;QRZDFJPLMQPVSB-UHFFFAOYSA-N;117.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105782;MM105782;C=CCONC(C)=N;TVYUFLKVZAJZIV-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105783;MM105783;CC(=N)NOCC=O;UIYSREWJRBPCFH-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105784;MM105784;CC(=O)NOCC=O;LFMQEPRCQTYTLR-UHFFFAOYSA-N;117.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105785;MM105785;C=CCONC(=N)N;VYNUKEMXECSCGU-UHFFFAOYSA-N;115.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105786;MM105786;N=C(N)NOCC=O;VVKYKHHRSBWCRQ-UHFFFAOYSA-N;117.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105787;MM105787;NC(=O)NOCC=O;ZYEQKHURYJRXMY-UHFFFAOYSA-N;118.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105788;MM105788;C=CCCOC(=C)C;NJFZQTDCQVBVJQ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105789;MM105789;C=C(C)OCCC=O;UXTXRMYCVHPULE-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105790;MM105790;C=C(C)OCCC#N;BLRHCWBAWKDJNJ-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105791;MM105791;C=CCCOC(C)=O;IEKXSSZASGLISC-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105792;MM105792;N=C(N)OCCC=O;IJBIEQGOGDEDQX-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105793;MM105793;N#CCCOC(N)=O;LIZMZWFDPKUAOD-UHFFFAOYSA-N;114.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105794;MM105794;C=COCOC(=C)C;UZMHOZNTIKUQKS-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105795;MM105795;C=C(C)OCOC=O;VQISXNPHVXWRNJ-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105796;MM105796;N=C(N)OCOC=O;LKOXZXAVQIWJMT-UHFFFAOYSA-N;118.09;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105797;MM105797;NC(=O)OCOC=O;OIVPHKGNBFTDMY-UHFFFAOYSA-N;119.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105798;MM105798;C=NOCOC(=C)C;DSHGXZMLTXNHDU-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105799;MM105799;C=NOCOC(=N)N;XNPPRRDXKFXVJF-UHFFFAOYSA-N;117.11;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105800;MM105800;C#CCCCC(=C)C;ZEOHPLPFOCOAMD-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105801;MM105801;C#CCCCC(C)=O;HYDAEDXXFPPLQI-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105802;MM105802;C#CCCCC(=N)N;JXIRZJFBXRSBGZ-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105803;MM105803;C#CCCCC(=O)O;VPFMEXRVUOPYRG-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105804;MM105804;C#CCCCC(=C)F;NBNAUWOWBZVEIU-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105805;MM105805;C#CCNCC(=N)N;RABPOQNOBHRDQA-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105806;MM105806;C#CCOCC(=C)C;NMZZBHNFBRLLRY-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105807;MM105807;C#CCOCC(=N)N;QXPLHDSNPCEDBP-UHFFFAOYSA-N;112.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105808;MM105808;C#CCOCC(N)=O;POHARZYBQDYYCP-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105809;MM105809;C#CCOCC(=C)F;UJTRZYXWYKDNPH-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105810;MM105810;C#CCCNC(C)=N;OFIOEFKTJMQQTP-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105811;MM105811;C#CCCNC(=N)N;LLGQWTDBKXKVDW-UHFFFAOYSA-N;111.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105812;MM105812;C#CCCNC(N)=O;BDECZLPVYUSXBL-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105813;MM105813;C#CCNNC(C)=N;BOVNOZUKGNDDEA-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105814;MM105814;CNC(C#N)C=CC=NO;MYOSOKAKYQNQCO-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105815;MM105815;C#CCNNC(=N)N;BSIKSMCCKBNVKD-UHFFFAOYSA-N;112.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105816;MM105816;CN=C(CF)N(N)C=NO;DYNISMMXJFULTO-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105817;MM105817;C#CCONC(=N)N;MRJCPZRXAYDQSE-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105818;MM105818;C#CCONC(N)=O;HFXDYAHEGSRKFW-UHFFFAOYSA-N;114.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105819;MM105819;C#CCCOC(=C)C;GGFUBPQTFRABMR-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105820;MM105820;C#CCCOC(C)=O;SNGNSVDRPMTMGW-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105821;MM105821;C#CCCOC(N)=O;DSBKZOWDJYPNQW-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105822;MM105822;CC=CCCC(C)C;LXBJRNXXTAWCKU-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105823;MM105823;CC(C)CCC=CF;FOZUVCITSOKRQQ-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105824;MM105824;CC=CCCC(C)N;DPOVASGZNDBULR-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105825;MM105825;NN=C(NO)N(N)C=NO;MFEJODFUBZPPPX-UHFFFAOYSA-N;148.13;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105826;MM105826;N=c1[nH]c(=NN)nnn1N;JZBUIENFILMVLK-UHFFFAOYSA-N;142.13;-3.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105827;MM105827;CC=CCCC(C)F;GCDZBIFZVAMLND-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105828;MM105828;CC(F)CCC=CF;WJIPKELXJYCVBQ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105829;MM105829;CC=CCCC(F)F;YJKQBIXWTMZUCF-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105830;MM105830;CC(C)CCC=NN;SITNYOKXNHDZDS-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105831;MM105831;C=NN1C=NC(=NO)CC1;WZIOAZUXZQTPBY-UHFFFAOYSA-N;140.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105832;MM105832;CC(F)CCC=NO;PFWKROQZFYPXGW-UHFFFAOYSA-N;119.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105833;MM105833;NN=CCCC(F)F;IEMNXXOEWXYJIS-UHFFFAOYSA-N;122.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105834;MM105834;CN=CNCC(C)C;NPAHROQYMYLNSQ-UHFFFAOYSA-N;114.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105835;MM105835;CC(C)CN=CNN;FAYIULGFBGLGAH-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105836;MM105836;CN=CNCC(C)N;NKDJTZXSXRJEQS-UHFFFAOYSA-N;115.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105837;MM105837;CC(N)CN=CNO;IDLQPZQUIIPAEA-UHFFFAOYSA-N;117.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105838;MM105838;CN=CNCC(C)O;VXZKXZBDCVRGAO-UHFFFAOYSA-N;116.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105839;MM105839;CC(O)CN=CNN;GRHGAKSYOXGMKM-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105840;MM105840;CN=CNCC(C)F;JLHZLWZPEYWEPF-UHFFFAOYSA-N;118.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105841;MM105841;CC(F)CN=CNN;CSLICKGGKZGHQE-UHFFFAOYSA-N;119.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105842;MM105842;N=CNC(=O)NC=NO;WVTSWLKGMOUOTF-UHFFFAOYSA-N;130.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105843;MM105843;CC=COCC(C)C;JCCRGQZQICHINY-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105844;MM105844;CC(C)COC=CF;RBLCCPRNLKWYBD-UHFFFAOYSA-N;118.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105845;MM105845;CC=COCC(C)N;FYTPCSSJNVRMAZ-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105846;MM105846;CC=COCC(C)O;RSVARKDBVWBOGJ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105847;MM105847;CC(O)COC=CF;QDCPVRGGEQVLIQ-UHFFFAOYSA-N;120.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105848;MM105848;CC=COCC(C)F;NEADARJRLNVTIJ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105849;MM105849;CC=COCC(F)F;IZCXAGFMSVZUGE-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105850;MM105850;FC=COCC(F)F;GNEHAJIBGHJOBV-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105851;MM105851;CCN=C(C=NO)NO;CKVSSTXGENOSCK-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105852;MM105852;CC(C)COC=NO;DXSGXOUPAHIAFD-UHFFFAOYSA-N;117.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105853;MM105853;CC1=NC(=O)C(C)N1N;UFKZLNZGHXWBMV-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105854;MM105854;CC(O)COC=NO;RHIQOXHBHPPLCP-UHFFFAOYSA-N;119.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105855;MM105855;CC(F)COC=NO;HVDWFQBIJFOWRL-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105856;MM105856;CC=NOCC(C)C;UQWCVAVGKCJBJU-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105857;MM105857;CC=NOCC(C)F;HSIZPXMFKUVRQR-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105858;MM105858;CC=NOCC(F)F;WHAUWXLTYRHMNF-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105859;MM105859;CC=CCNC(C)C;WWWVUUARMFNWNC-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105860;MM105860;CC(C)NCC=CF;WIQPLKAMWZQCQD-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105861;MM105861;CN=CNNC(C)C;WCSYPKUECOHSPD-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105862;MM105862;CC=CCOC(C)C;NJAGKENVGWJYJQ-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105863;MM105863;CC(C)OCC=CF;BSOTXTVHEKGSDL-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105864;MM105864;CC=CCCN(C)C;QMOKQVPITLXHJM-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105865;MM105865;CN(C)CCC=CF;BLPLIEJPPUAYAY-UHFFFAOYSA-N;117.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105866;MM105866;C=C(C)CCC=CC;LXKRFDPUBWVICN-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105867;MM105867;C=C(C)CCC=CF;SYMMLVLCQZMOPG-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105868;MM105868;CC=CCCC(C)=O;RTYRONIMTRDBLT-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105869;MM105869;CC(=O)CCC=CF;KKEKGIBBKYFOBM-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105870;MM105870;CC=CCCC(=N)N;JMIFTSRFUDOVQR-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105871;MM105871;Cc1ncc(CO)n1O;YMNPASWNWBXBIO-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105872;MM105872;C=C(F)CCC=CC;KMYHNAZUNOPABZ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105873;MM105873;C=C(F)CCC=CF;KRRIHUSGNIAEHI-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105874;MM105874;C=C(C)CCC=NN;CGLCPLDQZVBKRD-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105875;MM105875;C=C(C)CCC=NO;WMANHUVWLMCRJS-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105876;MM105876;N=C(N)CCC=NO;YBUJDWKMJVWYCM-UHFFFAOYSA-N;115.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105877;MM105877;NC(=O)CCC=NO;VVFPHAMWRHJYHJ-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105878;MM105878;C=NNC(=O)C(O)C=NO;MWDUIOQPSWUQRE-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105879;MM105879;C=C(F)CCC=NN;ASHCEGGVWLUQIV-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105880;MM105880;C=C(F)CCC=NO;KKFGDYNOLLANDJ-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105881;MM105881;C=C(C)CNC=NC;IKQXTZUOHWAZAI-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105882;MM105882;CN=CNCC(C)=O;BHEOZWXWPBVHQW-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105883;MM105883;CN=CNCC(=N)N;ZOYGNVZQABKGIZ-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105884;MM105884;N=C(N)CNC=NN;OGGAVQWLAOEUSW-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105885;MM105885;N=C(N)CN=CNO;ZZFJRANGEFTNPX-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105886;MM105886;CN=CNCC(N)=O;NARHCHHSIATLJB-UHFFFAOYSA-N;115.14;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105887;MM105887;CN(C)N=CC(F)C=NO;MFSCYTTUZIUSQH-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105888;MM105888;C=C(F)CNC=NC;VQNPJDWCPNWZDM-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105889;MM105889;C=CCC(C=C(N)N)=NO;QHYQVMVIWUXTHS-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105890;MM105890;C=C(C)COC=CC;NCSNKLABCNKWGO-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105891;MM105891;C=C(C)COC=CF;JQHBIEIBLWQEKD-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105892;MM105892;N=C(N)COC=CF;ZOOWKQIKENRORV-UHFFFAOYSA-N;118.11;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105893;MM105893;NC(=O)COC=CF;ZJWVLBKYLZWTTP-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105894;MM105894;Cn1c(=N)[nH]n(C=N)c1=O;ARNWACLFYVCNAO-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105895;MM105895;CC#Cc1nc(=N)o[nH]1;PYANYRJOYVBMCS-UHFFFAOYSA-N;123.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105896;MM105896;C=C(F)COC=CC;SCMAGDNSGNDKGG-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105897;MM105897;C=C(F)COC=CF;MJRQFDHVZHOATA-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105898;MM105898;C#CC(O)(C#N)CC1CN1;DRDLLFOQNXBWLA-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105899;MM105899;C=C(C)COC=NO;LDGOGUVEQUWQQR-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105900;MM105900;CC(=O)COC=NO;SUPWTJQAACGPGM-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105901;MM105901;N=c1cc(C=O)[nH]oc1=O;GMRQQBGPYFGCDD-UHFFFAOYSA-N;140.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105902;MM105902;CN=C(N)C(=O)C(O)C#N;SJYFDAONLBDFSW-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105903;MM105903;C=C(F)COC=NO;ZSTUOSPIILNICH-UHFFFAOYSA-N;119.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105904;MM105904;C=C(C)CON=CC;MZWFVEKAYOJNCF-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105905;MM105905;C=C(F)CON=CC;DEQPQTBVHIBCAF-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105906;MM105906;CC=CCNC(C)=N;MWRLGQJMLWVCSP-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105907;MM105907;CC(=N)NCC=CF;SMLUULCDTFNLFC-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105908;MM105908;N=C(N)NCC=CF;QONSKYOHWKAWNO-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105909;MM105909;NC(=O)NCC=CF;IKERFUGMEMMHEW-UHFFFAOYSA-N;118.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105910;MM105910;CC(=N)NCC=NN;UPDPYQFJFCYBJO-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105911;MM105911;CC(=N)NCC=NO;MUROHKKLCCCAPL-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105912;MM105912;N=C1NCC(=O)N1;TYKJILJOXAHUFO-UHFFFAOYSA-N;99.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105913;MM105913;CC(=O)NCC=NO;YFNYAZHGGLYITF-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105914;MM105914;N=C(N)NCC=NN;GOBMEIXTIPFDES-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105915;MM105915;N=C(N)NCC=NO;NQFASWTZLMEBFK-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105916;MM105916;C=NN(C)CCC=NO;KVBSIQVRNQUUEX-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105917;MM105917;NC(=O)NCC=NO;LAEYWBLWAHKKSU-UHFFFAOYSA-N;117.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105918;MM105918;CN=CNNC(C)=N;FTQOGTYNHZNNER-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105919;MM105919;CC(=N)NNC=NO;MFPSGFFRINNEEN-UHFFFAOYSA-N;116.12;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105920;MM105920;CN=CNNC(C)=O;YWTMOWIHNFGBNY-UHFFFAOYSA-N;115.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105921;MM105921;CC(=O)NN=CNO;IRJIWMWRKKMFMX-UHFFFAOYSA-N;117.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105922;MM105922;CN=CNNC(=N)N;WERRYXOORLJWSU-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105923;MM105923;N=C(N)NNC=NN;SJNCOHQUPGWQQZ-UHFFFAOYSA-N;116.13;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105924;MM105924;N=C(N)NN=CNO;KZIFYHQFBOJHNM-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105925;MM105925;CON(C)C(=N)C=NO;OWDMWSLMBZCISG-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105926;MM105926;NC(=O)NN=CNO;CCRKIGBVZOYFIE-UHFFFAOYSA-N;118.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105927;MM105927;CC(=N)NOC=NN;ZHMFJOMCNURMTH-UHFFFAOYSA-N;116.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105928;MM105928;NN=CONC(N)=O;VGBQRRSEUWOAPV-UHFFFAOYSA-N;118.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105929;MM105929;NC(=O)NOC=NO;OOFKVYMLCGTZGM-UHFFFAOYSA-N;119.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105930;MM105930;C=C(C)OCC=CC;CUWKNTJYDGVMBV-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105931;MM105931;C=C(C)OCC=CF;DGTOYWIADRDRSM-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105932;MM105932;CC=CCOC(C)=O;WNHXJHGRIHUOTG-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105933;MM105933;NC(=O)OCC=CF;NYTRRGHDHBOOBD-UHFFFAOYSA-N;119.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105934;MM105934;C=C(C)OCC=NN;FTPHVDXGWVMKFR-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105935;MM105935;C=C(C)OCC=NO;IBBSUJSNTBJWSU-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105936;MM105936;CC(=O)OCC=NN;QRKYQHQAAOVZMA-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105937;MM105937;N=C(N)OCC=NN;ZFIJZZQAGGZDTL-UHFFFAOYSA-N;116.12;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105938;MM105938;CC1C(=O)NC(=N)N1C;AIHHQSHFDBAKCV-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105939;MM105939;COC(=N)NC(=N)C=NO;CDUULDBZYXBSRV-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105940;MM105940;CC(C=NN)C(C)C=NO;IFEKWLXFDGKSPN-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105941;MM105941;C=C(CC(=NO)NN)OC;YQGOECXYOZETAF-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105942;MM105942;CC#CCCC(C)C;HIEALULIKYDRQN-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105943;MM105943;CC#CCCC(C)N;NGBKYTGGENALGS-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105944;MM105944;CN(C=O)N(C=N)C=NO;DUNFHSUFWWBVSP-UHFFFAOYSA-N;144.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105945;MM105945;CC#CCCC(C)F;IIXDTBXLZQRLFM-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105946;MM105946;CC#CCCC(F)F;IRFSYQVFMOYJTR-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105947;MM105947;CC#CCNC(C)C;BNEPTSDPZDOXFI-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105948;MM105948;CC#CCOC(C)C;QOBVYLVFSZIMEK-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105949;MM105949;CC#CCCN(C)C;OVQVWPRYUHFYHN-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105950;MM105950;C=C(C)CCC#CC;OXTAAAMXQAEOED-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105951;MM105951;CC#CCCC(C)=O;BYAFLXZJJBQDEU-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105952;MM105952;CC#CCCC(=N)N;QGMMUEPAEWTWAY-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105953;MM105953;CC#CCCC(=O)O;VTZDPQGGOUEESD-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105954;MM105954;C=C(F)CCC#CC;YMPGXNWHJBCUJO-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105955;MM105955;CC#CCNC(C)=N;SZFWMYDIYSIKQF-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105956;MM105956;C=C(C)OCC#CC;XBGSDNGZFFFIDT-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105957;MM105957;CC#CCOC(C)=O;ZSMZQEFXKCGILJ-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105958;MM105958;CCC=CCC(C)C;PMPISKBGRHSPEE-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105959;MM105959;CC(C)CC=CCN;MOCWEOJJGMPWDS-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105960;MM105960;CC(C)CC=CCO;RISNXWHRJFCCNQ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105961;MM105961;CC(C)CC=CCF;WKPWMHFCMDBQLQ-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105962;MM105962;CCC=CCC(C)N;PXLBGGMIYKJQAZ-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105963;MM105963;CC(N)CC=CCF;DDQGNEZTGRPGSX-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105964;MM105964;CCC(O)C(C=NO)=CN;DRKDWKIVXBJKNM-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105965;MM105965;C=CN(N)C(C=NN)=NO;JCGQLMDJKLBZBN-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105966;MM105966;CCC=CCC(C)F;YPDJCWACDUKBSJ-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105967;MM105967;CC(F)CC=CCN;XQXGHDZFVWXMTL-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105968;MM105968;CC(F)CC=CCO;OHJBYTYVZSGMFE-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105969;MM105969;CC(F)CC=CCF;RIZMYEMXFUYWMX-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105970;MM105970;CCC=CCC(F)F;MSSRRRRJCNHIPP-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105971;MM105971;NCC=CCC(F)F;SWXNXDREDDNZRD-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105972;MM105972;FCC=CCC(F)F;XKULTPCXAVKAKD-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105973;MM105973;COC=CCC(C)C;SIDIYLMVQSONNU-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105974;MM105974;COC=CCC(C)O;ISPVVUXIQZHLLX-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105975;MM105975;COC=CCC(C)F;NQEHCEJLOJFDPA-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105976;MM105976;CNN=CCC(C)C;HFTYNZLXYPOJFK-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105977;MM105977;CNN=CCC(C)F;DZHWXQZYYVSHII-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105978;MM105978;CON=CCC(C)C;AUSZEAWSUWWAJZ-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105979;MM105979;CON=CCC(C)F;LNOCFOSBQMUKOX-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105980;MM105980;CON=CCC(F)F;KSBYNKWENJBBDV-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105981;MM105981;CNN=CNC(C)C;UJWDGAVGSLSUOV-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105982;MM105982;CCC=NNC(C)C;XWSLKTSKRPZHPI-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105983;MM105983;COCOC(=NO)NC=N;DKMZSHWAHGDHCX-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105984;MM105984;CCC=COC(C)C;LRWSNNFFRAQZSM-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105985;MM105985;CC(C)OC=CCO;BVRARRZVDLSCDV-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105986;MM105986;COC=COC(C)C;WCSGQZHSADGEOS-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105987;MM105987;CON=COC(C)C;MBKXCUKYGZUVFH-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105988;MM105988;CCC=NOC(C)C;RGWGZOUASAMYFL-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105989;MM105989;COC=NOC(C)C;XRMCKCXFPQGQNM-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105990;MM105990;CCC=CCN(C)C;NWGXLYSRZPMKIX-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105991;MM105991;COC=CCN(C)C;SRBVHPNUKOSOBS-UHFFFAOYSA-N;115.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105992;MM105992;CON=CNN(C)C;QFHAAAYWPMFYKL-UHFFFAOYSA-N;117.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105993;MM105993;C=CC=CCC(C)C;AUCQVQFHIGLGIC-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105994;MM105994;CC(C)CC=CC=O;SZZOEJIDVFOQJV-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105995;MM105995;CC(C)CC=CC#N;QEQVVLMSLWIQRV-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105996;MM105996;C=CC=CCC(C)N;CBFSRUNANKDGAR-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105997;MM105997;C=CC12CC(=NO)CC1N2;YOUJMKKBORVMDZ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105998;MM105998;C=CC=NNCCC=NO;DFYWJWGXNWZHLX-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM105999;MM105999;CN1CC1CC=NO;XMRKBRQPRRXWOZ-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106000;MM106000;C=CC=CCC(C)F;DTYGHCSXSMHAPK-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106001;MM106001;CC(F)CC=CC=O;QPEOVVUCPPPXRT-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106002;MM106002;CC(F)CC=CC#N;ZBGJORIKJNKMPM-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106003;MM106003;O=CC=CCC(F)F;WSJRHNSQWCLRJS-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106004;MM106004;N#CC=CCC(F)F;QZHLOFYRSQELGB-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106005;MM106005;C=NN=CCC(C)C;PFYCZZJVAJAKHY-UHFFFAOYSA-N;112.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106006;MM106006;C=NN=CCC(C)N;OESGLNHXPJFXRG-UHFFFAOYSA-N;113.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106007;MM106007;C=NN=CCC(C)O;VBCZRJOPIFXKOO-UHFFFAOYSA-N;114.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106008;MM106008;C=NN=CCC(C)F;QYEVYDUNJKIQTE-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106009;MM106009;C=NN=CCC(F)F;DUPXNMRUHIAUHT-UHFFFAOYSA-N;120.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106010;MM106010;CC(C)NC=CC#N;SRJTYVYTFLVYMU-UHFFFAOYSA-N;110.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106011;MM106011;C=CC=COC(C)C;DYOAXOSGQFYNPH-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106012;MM106012;CC(C)OC=CC=O;TULDGSGEMUEXLB-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106013;MM106013;CC(C)OC=CC#N;DYRWTXBVHIABMR-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106014;MM106014;C=NN=COC(C)C;SESCHZOAKRIMAE-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106015;MM106015;C=CC=CCN(C)C;JEYCLTIPZOISDI-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106016;MM106016;CN(C)N=CNC=N;OAUNEHHMEIDUEB-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106017;MM106017;CN(C)N=CNC=O;MVARQDGMABBBGN-UHFFFAOYSA-N;115.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106018;MM106018;C#CC=CCC(C)C;XYSYIZLMGWJPMH-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106019;MM106019;C#CC=CCC(C)N;FMAKWPQDOICWDG-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106020;MM106020;CN(N)C=NC(=O)NN;QTLFFCODYUAEHU-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106021;MM106021;C#CC=CCC(C)F;CTARVMVPNXATNF-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106022;MM106022;C#CC=CCC(F)F;KBTFEDJZVCFEPB-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106023;MM106023;C#CC=NNC(C)C;AUUSVIZLVJBNOS-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106024;MM106024;C#CC=COC(C)C;DWXRYCKYOQREBC-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106025;MM106025;C#CC=NOC(C)C;KXEPJAYLTVCROC-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106026;MM106026;C=C(C)CC=CCC;QPQSGTYROWONJY-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106027;MM106027;C=C(C)CC=CCN;ZJLRQOUWPLQEAB-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106028;MM106028;C=C(C)CC=CCO;LKGIQVRWTRZISJ-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106029;MM106029;CCC=CCC(C)=O;VQKIKHHXFHNXJT-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106030;MM106030;CCC=CCC(=N)N;BFDUOKPQDRKBDX-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106031;MM106031;N=C(N)CC=CCN;GSTROOZTKSNAQM-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106032;MM106032;N=C(N)CC=CCO;OMBAAPRNEBSKOL-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106033;MM106033;NCC=CCC(N)=O;LGEJOXUEJPPAIA-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106034;MM106034;NC(=O)CC=CCO;CWQOYCHKCXKHCE-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106035;MM106035;CCC=CCC(=O)O;XXHDAWYDNSXJQM-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106036;MM106036;C=C(F)CC=CCC;JBOBGKXSSOUODZ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106037;MM106037;C=C(F)CC=CCN;TYQOHHORFKWTHQ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106038;MM106038;C=C(F)CC=CCO;ZUUPNNWDRWQDJS-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106039;MM106039;C=C(F)CC=CCF;IUFPCDLXPOJFBO-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106040;MM106040;C=C(C)CC=COC;OHLKOBJMEGMVQT-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106041;MM106041;COC=CCC(N)=O;MKBMHMOZLHAQSF-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106042;MM106042;CNN=CCC(=N)N;PQPBIOMFQNBAPK-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106043;MM106043;CNc1noc(=NN)[nH]1;QSNCRZGHVUMZQT-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106044;MM106044;C=C(C)CC=NOC;SWYHZNBHHZBCBH-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106045;MM106045;N#CCC(=N)NC=NO;OCCOCQHRWSIXKV-UHFFFAOYSA-N;126.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106046;MM106046;C=Nn1nc(C)c(O)c1N;SUDMBKXPAPIZPS-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106047;MM106047;C=C(F)CC=NOC;IYYRFSCWCDDGBL-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106048;MM106048;CC(=N)NC=CCN;BZCAHGDTOJKKAP-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106049;MM106049;CC(=N)NC=CCO;KVQIRSYAWLMHHD-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106050;MM106050;CC(=O)NC=CCN;IBNYKZPRBQUNNI-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106051;MM106051;N=C(N)NC=CCN;OJGUXVAQJPBJQR-UHFFFAOYSA-N;114.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106052;MM106052;N=C(N)NC=CCO;AWEVGTOYMAIZND-UHFFFAOYSA-N;115.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106053;MM106053;N=C(N)NC=CCF;IMZRMYUXFOQPPI-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106054;MM106054;NCC=CNC(N)=O;NUGDPOXOHPEYPT-UHFFFAOYSA-N;115.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106055;MM106055;NC(=O)NC=CCO;PBIUPWGQXGQLCY-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106056;MM106056;NC(=O)NC=CCF;OFHNHXFXOUGYQO-UHFFFAOYSA-N;118.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106057;MM106057;COC=CNC(C)=O;GBZADNOPEGKENK-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106058;MM106058;COC=CNC(=N)N;SKSIMPWHDWHSKJ-UHFFFAOYSA-N;115.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106059;MM106059;COC=CNC(N)=O;WCQWEXSKPUDHHB-UHFFFAOYSA-N;116.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106060;MM106060;C=C(C)NC=NCC;WHNPEEUBPIIRTA-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106061;MM106061;CCN=CNC(=N)N;OWAHOWXTPQFMKN-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106062;MM106062;C#CCc1cn(O)cn1;LQUODJAUEASURL-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106063;MM106063;CNN=CNC(C)=N;OKPOXQSPYSVEEN-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106064;MM106064;CNN=CNC(C)=O;HZKMWLZWOCKEBQ-UHFFFAOYSA-N;115.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106065;MM106065;CNN=CNC(=N)N;QOJDGNFIOLCTLS-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106066;MM106066;C=C(C)NC=NOC;FEPCSJUYLFREGK-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106067;MM106067;CON=CNC(C)=N;NMEVEJRLKGOHAO-UHFFFAOYSA-N;115.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106068;MM106068;CON=CNC(C)=O;SIGCIKMQJUYZOU-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106069;MM106069;CON=CNC(N)=O;KWJSIZOACUFYBK-UHFFFAOYSA-N;117.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106070;MM106070;CCC=NNC(C)=O;IVEPSWRQYXRJND-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106071;MM106071;CC(=O)NN=CCN;NBHPLJGWXBUBBQ-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106072;MM106072;CC(=O)NN=CCO;JOLYMZQXUJKRLT-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106073;MM106073;N=C(N)NN=CCN;ILWWADZLDULNIR-UHFFFAOYSA-N;115.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106074;MM106074;N=C(N)NN=CCF;SPTPCAJWTFRWJW-UHFFFAOYSA-N;118.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106075;MM106075;CCC=NNC(N)=O;JRQHXZCNQQDNTJ-UHFFFAOYSA-N;115.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106076;MM106076;NCC=NNC(N)=O;ZAWNQEWWMMCWEF-UHFFFAOYSA-N;116.12;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106077;MM106077;C=C(C)OC=CCC;YIKRPZVMKCNZHY-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106078;MM106078;C=C(C)OC=CCN;FQZBOCVAUFBUCM-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106079;MM106079;C=C(C)OC=CCO;WFNMGDIFRXXUIF-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106080;MM106080;C=C(C)OC=CCF;HJNPCEWKNGDGRD-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106081;MM106081;CCC=COC(C)=O;NLAMRLZPVVKXTK-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106082;MM106082;CC(=O)OC=CCN;YDIKXOVBDDZTGQ-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106083;MM106083;CC(=O)OC=CCF;CAILIVXBYZOQJA-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106084;MM106084;C=C(C)OC=COC;PQEJPJIPYKWEGR-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106085;MM106085;N=CN(O)C(=NO)NO;NRWMYJQBGDHLJJ-UHFFFAOYSA-N;134.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106086;MM106086;C=C(C)OC=NOC;XTNVNABQBNOSEA-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106087;MM106087;CCC=NOC(C)=O;NRRLXRUGCATKBL-UHFFFAOYSA-N;115.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106088;MM106088;ON=C1CC(=CF)CN1;KXLMSUNNARBCGT-UHFFFAOYSA-N;130.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106089;MM106089;CN=C1COC(=NO)N1;LUKSEBPLKUXIPU-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106090;MM106090;NC(=O)ON=CCF;DPDSQGLDPXKMLI-UHFFFAOYSA-N;120.08;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106091;MM106091;C=CC=CCC(=C)C;FCEGHXSZZPYXTD-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106092;MM106092;C=C(C)CC=CC=O;SVMXUSVHOBNWFM-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106093;MM106093;C=C(C)CC=CC#N;ZMSFJYCMUCGTOC-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106094;MM106094;C=CC=CCC(C)=O;RYERNMBUXSIYLX-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106095;MM106095;CC(=O)CC=CC=O;SIOQUMKWEOMJKW-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106096;MM106096;CC(=O)CC=CC#N;BKEQNGUGAYUYFF-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106097;MM106097;N=C(N)CC=CC=O;VVIDGFGEOXEFOK-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106098;MM106098;N#CC=CCC(=N)N;VSYOAJIZKZKGPS-UHFFFAOYSA-N;109.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106099;MM106099;C=CC=CCC(=O)O;KRMCNXUYEWISGE-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106100;MM106100;C=CC=CCC(=C)F;UWLVOIQFOFQOME-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106101;MM106101;C=C(F)CC=CC=O;RDZWHEKATXFECJ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106102;MM106102;C=C(F)CC=CC#N;NELQPPMKVDGYMN-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106103;MM106103;C=NN=CCC(=C)F;DFPQEWWPKFPPMB-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106104;MM106104;C=CC=CNC(C)=N;WTHZCOBQYAXPBS-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106105;MM106105;CC(=N)NC=CC=O;DMZRFBWWRBPHNS-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106106;MM106106;C=CC=CNC(C)=O;KMLONCKJQMYVCO-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106107;MM106107;CC(=O)NC=CC=O;JDUQFBCQWDPPOQ-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106108;MM106108;N=C(N)NC=CC=O;COHMSXMIJXUMSS-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106109;MM106109;NC(=O)NC=CC=O;AOJARGUDMHFTHZ-UHFFFAOYSA-N;114.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106110;MM106110;CC(=N)N=CNC=N;YCYAMWOJVSIBBX-UHFFFAOYSA-N;112.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106111;MM106111;CC(=O)NC=NC=N;GYHGKOPXILWRED-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106112;MM106112;CC(=O)N=CNC=O;KEMIMRVWARKABW-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106113;MM106113;N=CNC=NC(=N)N;WFZXJGHTAIIDJD-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106114;MM106114;N=C(N)N=CNC=O;DQNWPSXZMUAQIP-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106115;MM106115;CONC(=O)C(=N)N(C)C;AOORQFMGLOOJTF-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106116;MM106116;NC(=O)N=CNC=O;JNWPQZMLSPMFPH-UHFFFAOYSA-N;115.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106117;MM106117;C=NN=CNC(=N)N;VYZRJCJLEPXPCN-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106118;MM106118;CC=NNC(C)CC=NO;GBWKOIKIDRVLKU-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106119;MM106119;N=C(N)NN=CC=O;USPHPGNNXWECEP-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106120;MM106120;C=CC=NNC(N)=O;JINIFJVTIITOJT-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106121;MM106121;C=CC=COC(=C)C;WGUTXDPVEXKBQQ-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106122;MM106122;C=C(C)OC=CC=O;HFPRBGICJTZGMU-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106123;MM106123;C=C(C)OC=CC#N;MEIATLKQHIZHCQ-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106124;MM106124;C=CC=COC(C)=O;NMQQBXHZBNUXGJ-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106125;MM106125;CC(=O)OC=CC#N;WJZYKZUTZHYSLA-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106126;MM106126;C=NN=COC(=C)C;PXPCTIRZILNGKQ-UHFFFAOYSA-N;112.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106127;MM106127;C=CC=NOC(C)=O;DFLWTTPNJYDPJB-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106128;MM106128;CC(=O)ON=CC=O;YQGBQKATGKALSK-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106129;MM106129;C#CC=CCC(=C)C;ODSFPBBVXXFXHP-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106130;MM106130;C#CC=CCC(=C)F;UOBJZLRIRDIHPG-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106131;MM106131;C#CC=CNC(=N)N;RZLZEHDGDWHHCH-UHFFFAOYSA-N;109.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106132;MM106132;C#CC=COC(=C)C;YOLVBZCLQUOGIN-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106133;MM106133;C#CC=COC(C)=O;PFXHFHMZPPWFGD-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106134;MM106134;CCC#CCC(C)C;UUWGRVSCFPICBP-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106135;MM106135;CC(C)CC#CCN;ZJABYQZMSIEHLQ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106136;MM106136;CC(C)CC#CCO;CXYFLYAHMDHQAN-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106137;MM106137;CC(C)CC#CCF;QFTZCQBAEDTVAN-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106138;MM106138;CCC#CCC(C)N;ONEMEPGVPGSMKI-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106139;MM106139;CC(N)CC#CCO;MYTBRMYXJBHOMI-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106140;MM106140;CC(N)CC#CCF;RTKICEDJMGGBIV-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106141;MM106141;CC=CC(CC=NN)=NO;MIBXNWYXUWMPSO-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106142;MM106142;CC(O)CC#CCN;CQDGFJOUPRUKNY-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106143;MM106143;CC(O)CC#CCO;WASWVWYKTQOGCM-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106144;MM106144;CC(O)CC#CCF;HFINPKOSDUKUGE-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106145;MM106145;CCC#CCC(C)F;RHJHXRUPVKMFOP-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106146;MM106146;CC(F)CC#CCN;AYAWDJBIMALISK-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106147;MM106147;CC(F)CC#CCO;VRAFNXSSNJMEIP-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106148;MM106148;CC(F)CC#CCF;JHZJERNEZLCUFU-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106149;MM106149;CCC#CCC(F)F;GRVRPUURXDXYQT-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106150;MM106150;OCC#CCC(F)F;BFNDNYCSFTUUBP-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106151;MM106151;FCC#CCC(F)F;FNFMLOVRWMBJRT-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106152;MM106152;C=CC#CCC(C)C;ZABDDGZHXCDSCW-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106153;MM106153;CC(C)CC#CC=O;UBLCHFGWSIOPST-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106154;MM106154;C=CC#CCC(C)N;CUWZIJBKRWHRIR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106155;MM106155;C#CC1(CCC=NO)CN1;GFYVEWXJWQHQSM-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106156;MM106156;CC(O)CC#CC#N;IQPUSKWJIWWWRN-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106157;MM106157;C=CC#CCC(C)F;UJQPYPJVTSDQCJ-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106158;MM106158;CC(F)CC#CC=O;UYCYYNUDWBTIOE-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106159;MM106159;C=CC#CCC(F)F;AQFGNSPZCYSCJM-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106160;MM106160;O=CC#CCC(F)F;AKFBFIZEZNRCNN-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106161;MM106161;N#CC#CCC(F)F;MIJLZNQJXUXAOB-UHFFFAOYSA-N;115.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106162;MM106162;C#CC#CCC(C)C;YSSYTDXLWRBMML-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106163;MM106163;C#CC#CCC(C)N;NUHYNABKMXCFSL-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106164;MM106164;C#CC#CCC(C)O;IZNOEHKZKNDDLA-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106165;MM106165;C#CC#CCC(C)F;NMDFFTWNFHVHFM-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106166;MM106166;C#CC#CCC(F)F;NUFYNJPMZLHSTG-UHFFFAOYSA-N;114.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106167;MM106167;C=C(C)CC#CCC;ZTONNYQBRZYDQS-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106168;MM106168;C=C(C)CC#CCN;QQEDHOPAUWDYMY-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106169;MM106169;C=C(C)CC#CCO;BCIXOLAZTUNRJF-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106170;MM106170;C=C(C)CC#CCF;RKZRXZAKNDCAGD-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106171;MM106171;CCC#CCC(C)=O;OFFUFZKTFCPSKA-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106172;MM106172;CCC#CCC(=N)N;NWAOGNOFQJSDJI-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106173;MM106173;N=C(N)CC#CCN;GQXXGVKKZXJGAF-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106174;MM106174;N=C(N)CC#CCO;XYTYWMBULXXDNF-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106175;MM106175;CCC#CCC(N)=O;RMJRASPJUMVDFD-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106176;MM106176;NCC#CCC(N)=O;KSEGFGOCCURZIK-UHFFFAOYSA-N;112.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106177;MM106177;NC(=O)CC#CCO;BEXAANBIZHWZKL-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106178;MM106178;NC(=O)CC#CCF;CXYLFBFYXHKMGP-UHFFFAOYSA-N;115.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106179;MM106179;CCC#CCC(=O)O;JHBKYZNFFMIFDA-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106180;MM106180;C=C(F)CC#CCC;JOODXTLDFBTNDV-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106181;MM106181;C=C(F)CC#CCN;MWKYKYVRXLHRDB-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106182;MM106182;C=C(F)CC#CCO;BSTPLCZLGSFXTD-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106183;MM106183;C=C(F)CC#CCF;KMIOQBIWIDYMSW-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106184;MM106184;C=CC#CCC(=C)C;IWNBJXABXYDBBI-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106185;MM106185;C=C(C)CC#CC=O;TUSXPMLFUAPFPE-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106186;MM106186;CC(=O)CC#CC#N;NHQNPPSMQXYWMN-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106187;MM106187;C=CC#CCC(=N)N;ZWVVGLREAXPJEU-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106188;MM106188;N=C(N)CC#CC=O;FSCHOIBJBPKGRU-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106189;MM106189;C=CC#CCC(N)=O;HWOHAYKVHVJPDO-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106190;MM106190;NC(=O)CC#CC=O;WOGLQHPEBDQPHP-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106191;MM106191;C=CC#CCC(=O)O;JNJDRFOGZQVSOE-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106192;MM106192;C=CC#CCC(=C)F;SXBCPZMEWOVETM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106193;MM106193;C=C(F)CC#CC=O;NTDLKKFSOPCVFF-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106194;MM106194;C=C(F)CC#CC#N;DYAIIFWTCKGPAV-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106195;MM106195;C#CC#CCC(=C)C;VEEKUJLDPBYZAY-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106196;MM106196;C#CC#CCC(=N)N;HLFMTSWHGQSWEM-UHFFFAOYSA-N;106.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106197;MM106197;C#CC#CCC(N)=O;RPDCWFAJPBTHJS-UHFFFAOYSA-N;107.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106198;MM106198;C#CC#CCC(=C)F;JAKMXRCBCZHNRT-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106199;MM106199;CCCC=CC(C)C;CYEZJYAMLNTSKN-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106200;MM106200;CC(C)C=CCCN;JDVNUUQLUPWBJV-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106201;MM106201;CC(C)C=CCCO;AZEDRJOTTIHOIQ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106202;MM106202;CC(C)C=CCCF;BBQWOTWILJYZQE-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106203;MM106203;CCCC=CC(C)N;MXJAZVGGFYRIBK-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106204;MM106204;CC(N)C=CCCF;WISJHEDADFCJIS-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106205;MM106205;ON=C1NC2C(F)C2N1;CUUOATNJUWTOMO-UHFFFAOYSA-N;131.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106206;MM106206;CC(=N)N(C=NO)CC#N;YUDQKIKYNUXSMC-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106207;MM106207;CCCC=CC(C)F;BNTKOWNJTAYAHJ-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106208;MM106208;CC(F)C=CCCO;ROQOWRAVTYBKBA-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106209;MM106209;CC(F)C=CCCF;KCYPBORWKJJSGP-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106210;MM106210;CCCC=CC(F)F;BLWBQFWBZBRRCA-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106211;MM106211;NCCC=CC(F)F;INEAQOQFAOFJLX-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106212;MM106212;OCCC=CC(F)F;UWOVTIVYUADMMZ-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106213;MM106213;FCCC=CC(F)F;ZSDITPMZXCEJMO-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106214;MM106214;CNCC=CC(C)C;DNZJRYOSQDZGIW-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106215;MM106215;CNCC=CC(F)F;ZSTGIJXLWKVOSE-UHFFFAOYSA-N;121.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106216;MM106216;COCC=CC(C)C;WSEPZYFCZUBYAX-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106217;MM106217;COCC=CC(C)F;RQHUAMVCFLWCHJ-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106218;MM106218;COCC=CC(F)F;HSGAQVPLSYSYAM-UHFFFAOYSA-N;122.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106219;MM106219;CCOC=CC(C)C;KLKHJTPIDMZMBB-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106220;MM106220;CCOC=CC(C)N;DORWLMFHKMXFEI-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106221;MM106221;CCOC=CC(C)O;YVWWPAOJSKHSJI-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106222;MM106222;CCOC=CC(C)F;KVUFTJOPUBWXFK-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106223;MM106223;C=CN(N)C(CCO)=NO;CUPTZUGWHXKNKO-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106224;MM106224;N=CN(O)C(=NO)NC=O;IGXCSGDNRDQEIE-UHFFFAOYSA-N;146.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106225;MM106225;CCON=CC(C)C;NWEPXROZRWJLOU-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106226;MM106226;CCON=CC(C)N;QRMYQWDPLLMCHN-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106227;MM106227;CC12CC(=NO)NC1C2F;MGBXDUSNRXTMAD-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106228;MM106228;C=CN=C1COC(=NO)N1;YSSXWSIKPTVBFZ-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106229;MM106229;CCCN=CN(C)C;PWLJQPKTYTWNRJ-UHFFFAOYSA-N;114.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106230;MM106230;CN(C)C=NCCN;IOKZSEYJXSHNRC-UHFFFAOYSA-N;115.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106231;MM106231;CCCN=CN(C)N;RAFCJEFDSDAIBE-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106232;MM106232;CN(C)N=CCCN;QVWKXJBUTMXQSE-UHFFFAOYSA-N;115.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106233;MM106233;N#CCCNC=CC=NO;VTKHTRFLRGBASO-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106234;MM106234;COCC=NN(C)C;JJORHDBSXUSSHV-UHFFFAOYSA-N;116.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106235;MM106235;C=CCC=CC(C)C;UQUVCLBAUMPGQK-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106236;MM106236;CC(C)C=CCC=O;RHXBHXILGOJDGC-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106237;MM106237;CC(C)C=CCC#N;WCUBSRVROLVREH-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106238;MM106238;C=CCC=CC(C)N;UMSHRLOOIOKYAG-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106239;MM106239;CON1C=NC(=NO)CC1;MKZPFLBYCGVEEJ-UHFFFAOYSA-N;143.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106240;MM106240;C=CCC=CC(C)F;HGNVSDFPTNHBFB-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106241;MM106241;CC(F)C=CCC#N;BBJYRLIRZFLTDZ-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106242;MM106242;C=CCC=CC(F)F;OADVRFHXSRUCKM-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106243;MM106243;O=CCC=CC(F)F;MAMVCPVZGVNAEK-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106244;MM106244;N#CCC=CC(F)F;KCWRJRURFFNSEI-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106245;MM106245;CC(C)C=CNC=N;GXXMBSUMKNEHEF-UHFFFAOYSA-N;112.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106246;MM106246;CC(C)C=CNC=O;GDSIOXILWHHGIA-UHFFFAOYSA-N;113.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106247;MM106247;CC(N)C=CNC=N;XVJHUQYZTYRURJ-UHFFFAOYSA-N;113.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106248;MM106248;CC(N)C=CNC=O;KCHOSPYNMBFGIA-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106249;MM106249;CC(O)C=CNC=N;XNCYQDPVJUGZCH-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106250;MM106250;CC(O)C=CNC=O;OONSKUXZUCSQAJ-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106251;MM106251;C=COC=CC(C)C;BYGVHYMAHNPMOW-UHFFFAOYSA-N;112.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106252;MM106252;CC(C)C=COC=O;QERHZPVZKOSCMO-UHFFFAOYSA-N;114.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106253;MM106253;C=COC=CC(C)N;CYIISLRWWOIZNU-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106254;MM106254;C=COC=CC(C)O;SMRWLIYCKDIDHJ-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106255;MM106255;C=COC=CC(C)F;NVRSLMYCPARUNI-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106256;MM106256;CC(F)C=COC=O;VMORULHLEXWXOB-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106257;MM106257;C=COC=CC(F)F;FDLQHUYZILGYMB-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106258;MM106258;O=COC=CC(F)F;JKKTZCOWYNEPSJ-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106259;MM106259;CC(C)C=NNC=O;IDTFXLGCCJHYRS-UHFFFAOYSA-N;114.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106260;MM106260;CC(N)C=NNC=O;WUTKPOJHGGGHHF-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106261;MM106261;CC(C)C=NOC=O;MZDDYJBWMHXHAM-UHFFFAOYSA-N;115.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106262;MM106262;CC(N)C=NOC=O;LJTPQFRHJUQNGD-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106263;MM106263;ON=C(CCN1CC1)NO;UTPMZDUIDAXRBV-UHFFFAOYSA-N;145.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106264;MM106264;Cn1cc(O)nc1N;BTXYOFGSUFEOLA-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106265;MM106265;CNN(C=NO)C(=N)C=O;UHCQOIAEBOGEJM-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106266;MM106266;C=CNC=NC(C)C;RCFWCQRKIBPYRW-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106267;MM106267;C=CCN=CN(C)C;SMVCEZBNDUIZNH-UHFFFAOYSA-N;112.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106268;MM106268;CN(C)C=NCC=O;AMXWGOXABXZKAC-UHFFFAOYSA-N;114.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106269;MM106269;CN(C)C=NNC=N;UUCPGNBMOWPPSC-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106270;MM106270;C=CNC=NN(C)C;DDQDEQHRYPMOPI-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106271;MM106271;C#CCC=CC(C)C;WLKFWNNCBBLNSC-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106272;MM106272;C#CCC=CC(C)N;FZMFKFYFFVHNSE-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106273;MM106273;CCNc1ccc(O)[nH]1;OLIPXLILVXWJNC-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106274;MM106274;C#CCC=CC(C)F;NVBDYZJWCUERBO-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106275;MM106275;C#CCC=CC(F)F;KCVLMFGLSNRPSE-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106276;MM106276;C#CCN=CN(C)C;BEMWXGNRNTTZEM-UHFFFAOYSA-N;110.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106277;MM106277;C#CCC=NN(C)C;YTJUXTHSWBBXOK-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106278;MM106278;C=C(C)C=CCCC;SKPOBHBERPAXFE-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106279;MM106279;C=C(C)C=CCCN;NTRKMGYWYUPNKX-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106280;MM106280;CN=C1NCC(=O)N1C;KUINWQCTJSBMBA-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106281;MM106281;C=C(C)C=CCCF;SNWSTQFMHFCDPT-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106282;MM106282;CCCC=CC(C)=O;JHHZQADGLDKIPM-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106283;MM106283;CCCC=CC(=N)N;QVLMHRDEAFMGPD-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106284;MM106284;N=C(N)C=CCCN;MWBRIUYIKONJPY-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106285;MM106285;N=C(N)C=CCCO;MUSOJRZQCFGCGN-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106286;MM106286;N#Cc1c[nH]c(=N)n1O;DVPBQJGFRFAKMD-UHFFFAOYSA-N;124.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106287;MM106287;NCCC=CC(N)=O;ZOFUMRPLUIXPQX-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106288;MM106288;CCCC=CC(=O)O;NIONDZDPPYHYKY-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106289;MM106289;O=C(O)C=CCCF;SBNRNIPADHCDAE-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106290;MM106290;C=C(F)C=CCCC;QUULBEMXKUOAMG-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106291;MM106291;C=C(F)C=CCCN;ZWFBHHDRQNBCAH-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106292;MM106292;OCC1=NC(=NO)CN1;PSVYQZGWXWWYSU-UHFFFAOYSA-N;129.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106293;MM106293;CNCC=CC(N)=O;FSLIGOCEMDIOQE-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106294;MM106294;C=C(F)C=CCNC;ZLECDOHHFFEJLO-UHFFFAOYSA-N;115.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106295;MM106295;C=C(C)C=CCOC;RGTFYYMGPRDNSW-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106296;MM106296;COCC=CC(=N)N;INRSUQUVUZXREB-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106297;MM106297;CN(C)CC(=O)C(O)C#N;POKOBYAHJSOMMY-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106298;MM106298;C=C(F)C=CCOC;FYVBAJIBIRNEPU-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106299;MM106299;NN=C(NC=O)NC(N)=O;KIXBISZCCFFOFC-UHFFFAOYSA-N;145.12;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106300;MM106300;Nc1oc(=O)[nH]c1F;MTMCQDULQQOSBB-UHFFFAOYSA-N;118.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106301;MM106301;C=C(C)C=COCC;GUKBBOQRGNHBRK-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106302;MM106302;Cc1ccc(F)c(=O)n1O;ADJAZJYXGITJRC-UHFFFAOYSA-N;143.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106303;MM106303;C=C(F)C=COCC;QRMOJHODGSSSAW-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106304;MM106304;C=C(C)C=NNCC;JPHORYJIDKPZJM-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106305;MM106305;CCNN=CC(=N)N;CPPLVCJGFYYENE-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106306;MM106306;CN(C=NO)C(=O)NC=N;HSZVAZKLHKWZEV-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106307;MM106307;N#CC(=O)CC(N)=O;BZFIDEUCZSINJH-UHFFFAOYSA-N;112.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106308;MM106308;C=C(C)C=NOCC;KJOCTIWUHWNGMI-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106309;MM106309;CC(=NO)N(C=N)NC=O;VHCBCPZBJCMYLT-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106310;MM106310;C=C(F)C=NOCC;WLZGGRSALZIOKB-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106311;MM106311;C=CCC=CC(=C)C;JIXIKMZMUYDUEL-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106312;MM106312;C=C(C)C=CCC=O;YMTYPCHSSBOHRW-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106313;MM106313;C=C(C)C=CCC#N;IACHVHLUFUACQB-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106314;MM106314;C=CCC=CC(C)=O;NAYQSLQPLZXARJ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106315;MM106315;CC(=O)C=CCC=O;CRYMHJDGZMFFLM-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106316;MM106316;N=C(N)C=CCC=O;VDHFYEGFBJWZKW-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106317;MM106317;C=CCC=CC(=O)O;JJQSBNTVMVAYCU-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106318;MM106318;C=CCC=CC(=C)F;QGGLPRDJSAAFOT-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106319;MM106319;C=C(F)C=CCC=O;MBAPLSZBAAHKOV-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106320;MM106320;C=C(F)C=CCC#N;RIXIBGWVYUARLD-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106321;MM106321;C=C(C)C=CNC=O;DHRBJSPCZZEDHI-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106322;MM106322;CC(=O)C=CNC=O;UTKWCPIABIPQLG-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106323;MM106323;N=CNC=CC(=N)N;VTZVYVWUYIJICX-UHFFFAOYSA-N;112.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106324;MM106324;N=C(N)C=CNC=O;XEEKTJOETFQNOA-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106325;MM106325;N=CNC=CC(N)=O;QCECOLXUEHFCDB-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106326;MM106326;NC(=O)C=CNC=O;XATCDYQJPWHHRC-UHFFFAOYSA-N;114.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106327;MM106327;Cn1oc(=O)c(O)c1O;YMCHBQDYMIWKRY-UHFFFAOYSA-N;131.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106328;MM106328;C=C(F)C=CNC=N;DQJMOXLPLLNSJX-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106329;MM106329;C=C(F)C=CNC=O;PPBCGFGTBDGTIC-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106330;MM106330;C=NNC=CC(=N)N;PQCFRSRLBSOSCU-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106331;MM106331;N#Cc1nc(O)c(F)o1;OEBXTCBBJWGUDO-UHFFFAOYSA-N;128.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106332;MM106332;C=COC=CC(=C)C;AVQACHDLVWONTG-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106333;MM106333;C=C(C)C=COC=O;ILOWQMCGNQPUBL-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106334;MM106334;N=c1ccc(O)nn1C=O;PVNBHGLSTQJXST-UHFFFAOYSA-N;139.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106335;MM106335;C=COC=CC(=C)F;NXBJYQGGFGRZGO-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106336;MM106336;C=C(F)C=COC=O;BOLNDMJAFIPBOI-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106337;MM106337;CC(=O)C=NNC=O;NLVUKCPDCANGGO-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106338;MM106338;Cc1c(N)n(O)n(O)c1=O;VUPZZUOEXTWGQD-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106339;MM106339;Nc1c(N)n(O)n(O)c1=O;DMDXRDRHELIPDU-UHFFFAOYSA-N;146.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106340;MM106340;C=C(C)C=NOC=O;DDLYQVZKCBJXLC-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106341;MM106341;NC(=O)C=NOC=O;SMJVFVMFOOHQOS-UHFFFAOYSA-N;116.08;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106342;MM106342;C=C(F)C=NOC=O;BTIIJHOQXJPYPE-UHFFFAOYSA-N;117.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106343;MM106343;C=CN=CNC(=N)N;NWWGSHQJTLRJRT-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106344;MM106344;NN=CNOC(=NO)NN;YZQIVTCORPGWNQ-UHFFFAOYSA-N;148.13;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106345;MM106345;C#CCC=CC(=C)C;IFYYNDCLILMECW-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106346;MM106346;C#CCC=CC(C)=O;TXVWGFVQMFXZCS-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106347;MM106347;C#CCC=CC(=N)N;ZFHOTEKXTZQPNU-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106348;MM106348;C#CCC=CC(=O)O;LUYSGAFVXFJEIG-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106349;MM106349;C#CCC=CC(=C)F;WRFLSJAQAVTPTJ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106350;MM106350;CC=CC=CC(C)C;MWTPBEVCVOHWSX-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106351;MM106351;CC(C)C=CC=CF;CNDQFMZATQKHNF-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106352;MM106352;CC=CC=CC(C)N;LCNSSLDUYCHJMW-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106353;MM106353;CC(N)C=CC=CF;LFCJSKVCQQMQNJ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106354;MM106354;CNc1ccc(O)[nH]1;XQCAUJQHKGUXRY-UHFFFAOYSA-N;112.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106355;MM106355;CC(C=NO)=C(N)CO;RMDIDAOOULWMEP-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106356;MM106356;CC=CC=CC(C)F;BPEMRHBILQIYRW-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106357;MM106357;CC(F)C=CC=CF;NQGAXCBZYOSSDC-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106358;MM106358;CC=CC=CC(F)F;WYXYDXFMXAWVQW-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106359;MM106359;FC=CC=CC(F)F;NASGWNPHDPXMEN-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106360;MM106360;CC(C)C=CC=NN;VLZVVYNHTIZFNA-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106361;MM106361;N=C1CC(C=NN)=NN1;MLPXKMVJOZJVST-UHFFFAOYSA-N;125.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106362;MM106362;Nc1c(CF)ncn1O;UVZKUVWMKMUEIS-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106363;MM106363;CC(F)C=CC=NN;URQDXVKFUVEWDC-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106364;MM106364;CC(F)C=CC=NO;DLSCMXDPIKUEKW-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106365;MM106365;NN=CC=CC(F)F;QXCTVKUAYBTSNZ-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106366;MM106366;ON=CC=CC(F)F;AXLGSBUIOPFYPY-UHFFFAOYSA-N;121.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106367;MM106367;CC=NN=CC(C)C;ZLTJAQPAYXTXTG-UHFFFAOYSA-N;112.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106368;MM106368;CC=NN=CC(C)O;JIXHEAJWQUDCFR-UHFFFAOYSA-N;114.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106369;MM106369;CC(C)(F)CC(=NO)NN;MRWOXQRGMXFYSB-UHFFFAOYSA-N;149.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106370;MM106370;CC=NN=CC(F)F;XKXUYWSUFNBREF-UHFFFAOYSA-N;120.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106371;MM106371;CN(C)C=NC=NN;MHSRKGDQGUGFDJ-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106372;MM106372;CN(C)C=NC=NO;UWPNGXRVBFZMEZ-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106373;MM106373;CCNNC(=O)C=C(F)F;BRWUXMHLKZXXEA-UHFFFAOYSA-N;150.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106374;MM106374;CN(O)C=NC=NO;WQRSXNSPLDRHKC-UHFFFAOYSA-N;117.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106375;MM106375;CC=NN=CN(C)C;OTWXOIAOAAMGSZ-UHFFFAOYSA-N;113.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106376;MM106376;CC=CC=NN(C)C;KVKJBRFOURXWON-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106377;MM106377;CN(C)N=CC=NO;XJARBQQUFFJELB-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106378;MM106378;C=C(C)C=CC=CC;ACSZKAMAFKWIIO-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106379;MM106379;C=C(C)C=CC=CF;JSKJKOTYKOUMKZ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106380;MM106380;CC=CC=CC(C)=O;SWGLACWOVFCDQS-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106381;MM106381;CC(=O)C=CC=CF;SQYVWMZDWYLRFO-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106382;MM106382;CC=CC=CC(=N)N;AVLURCBSFCKTGJ-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106383;MM106383;CC=CC=CC(=O)O;WSWCOQWTEOXDQX-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106384;MM106384;O=C(O)C=CC=CF;JBRYTOBHPKCNIC-UHFFFAOYSA-N;116.09;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106385;MM106385;C=C(F)C=CC=CC;LVZOJKYMSPBYBF-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106386;MM106386;C=C(F)C=CC=CF;FCAOIKWKJKCXBQ-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106387;MM106387;C=C(C)C=CC=NN;VJRYJQDJNOTPEB-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106388;MM106388;C#CC(=N)NC(=O)NNC;WDOVAQJIMCRPLW-UHFFFAOYSA-N;140.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106389;MM106389;N=C(N)C=CC=NN;DABZSFOXOKKFGP-UHFFFAOYSA-N;112.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106390;MM106390;N=C(N)C=CC=NO;ROVPGBZUUVYFJZ-UHFFFAOYSA-N;113.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106391;MM106391;C#CC(=O)NC(=N)NC=O;CSIJDSRQSNVWPB-UHFFFAOYSA-N;139.11;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106392;MM106392;NC(=O)C=CC=NO;MVAHJSBDTDLWLD-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106393;MM106393;C=C(F)C=CC=NN;IDUREWMAKURWRU-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106394;MM106394;C=C(F)C=CC=NO;KIHBMADXTJWQEW-UHFFFAOYSA-N;115.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106395;MM106395;C=C(C)C=NN=CC;BZSHZEUWSONTQF-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106396;MM106396;CC(CC(C)C=NO)=NN;FKUKLLOTDXEIHO-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106397;MM106397;C=C(F)C=NN=CC;ILKDVWZDKJRKHK-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106398;MM106398;CC#CC=CC(C)C;ZUYRDXHJHPIMCB-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106399;MM106399;CC#CC=CC(C)N;OCIPAIFNHKSDLP-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106400;MM106400;CC#CC=CC(C)O;FOQXGYKNZQXONY-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106401;MM106401;CC#CC=CC(C)F;AWMULQBUBDDGJT-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106402;MM106402;CC#CC=CC(F)F;XDFSLNFZOJWOTN-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106403;MM106403;CC#CC=NN(C)C;GNMJDCUJMBXSEX-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106404;MM106404;C=C(C)C=CC#CC;QEGQQDASHZHLLD-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106405;MM106405;CC#CC=CC(C)=O;AJFBKUJGUQGGHO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106406;MM106406;CC#CC=CC(=O)O;LQEYNFDYEHLTBP-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106407;MM106407;C=C(F)C=CC#CC;JXJMEMROSNDFPJ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106408;MM106408;CCCC#CC(C)C;HLWVADIAYHXLDP-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106409;MM106409;CC(C)C#CCCN;CAJKQUUVQYBFQU-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106410;MM106410;CC(C)C#CCCO;XOEQKPGAZHISQQ-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106411;MM106411;CC(C)C#CCCF;GUINMZXMGQFKQC-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106412;MM106412;CCCC#CC(C)N;GDNKTSPKJOEPDV-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106413;MM106413;CC(N)C#CCCF;RMGAPESRXWDNMM-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106414;MM106414;CCCC#CC(C)O;AGSTXVGLHQAXQK-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106415;MM106415;CC(O)C#CCCO;DUTVPTOXFQPHKZ-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106416;MM106416;CCCC#CC(C)F;QBFCVRDYRVCBQS-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106417;MM106417;CC(F)C#CCCN;RKMYWNAUUKHGPP-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106418;MM106418;CC(F)C#CCCO;IGSVAMOTMDVGLQ-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106419;MM106419;CC(F)C#CCCF;JUHSOOOFCFHKSP-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106420;MM106420;CCCC#CC(F)F;RGDMIUOZBIONDM-UHFFFAOYSA-N;118.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106421;MM106421;NCCC#CC(F)F;SHUTVYVEIRSZEY-UHFFFAOYSA-N;119.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106422;MM106422;OCCC#CC(F)F;HYXYGMOMPQLBGJ-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106423;MM106423;FCCC#CC(F)F;YCKGIWUNNJRNSF-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106424;MM106424;CNCC#CC(C)C;RVVPVESGGRMDGS-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106425;MM106425;CNCC#CC(C)N;SNIIYJSDUYPTIM-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106426;MM106426;CNCC#CC(F)F;IKCMZGJKRWSJAG-UHFFFAOYSA-N;119.11;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106427;MM106427;COCC#CC(C)C;OLRLOQXHJLYNSN-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106428;MM106428;COCC#CC(C)F;DFBIXXNCSDCGTB-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106429;MM106429;COCC#CC(F)F;SGGDXXKRQBULJU-UHFFFAOYSA-N;120.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106430;MM106430;C=CCC#CC(C)C;VBLIWPGJZMASMO-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106431;MM106431;CC(C)C#CCC=O;MOMTXBLHOYUKIO-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106432;MM106432;C=CCC#CC(C)N;NGHBLLMRGPYSPA-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106433;MM106433;C=CCC#CC(C)O;VHQQQIOJZDBEGH-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106434;MM106434;CC(O)C#CCC#N;PJNIGGHRZVGPOL-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106435;MM106435;C=CCC#CC(C)F;ZNEXKDAFCYRIFI-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106436;MM106436;CC(F)C#CCC=O;WMEZRPNWADYPOU-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106437;MM106437;C=CCC#CC(F)F;XVZFIBBQQHGAGC-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106438;MM106438;O=CCC#CC(F)F;JWNYBYBLEIDYBY-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106439;MM106439;N#CCC#CC(F)F;FJBHRBSRHXQSRN-UHFFFAOYSA-N;115.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106440;MM106440;C#CCC#CC(C)C;XVDSNHXQARYELP-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106441;MM106441;C#CCC#CC(C)F;BJVNPZIMWBQJKS-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106442;MM106442;C#CCC#CC(F)F;GYOOYCSGGKTDCF-UHFFFAOYSA-N;114.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106443;MM106443;C=C(C)C#CCCC;UOOFRLPCQNNECP-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106444;MM106444;C=C(C)C#CCCN;SPXFFPLZEGVBCA-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106445;MM106445;C=C(C)C#CCCO;MBYDBVLTDFZBGI-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106446;MM106446;C=C(C)C#CCCF;LSCXAFGKKKIGIG-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106447;MM106447;CCCC#CC(C)=O;KVCFELYYDWVHQI-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106448;MM106448;CC(=O)C#CCCF;OSHIVZWCWCJLNG-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106449;MM106449;CCCC#CC(=N)N;SNIXBFRUAJODRL-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106450;MM106450;N=C(N)C#CCCN;BFNFAPGCRWBMBY-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106451;MM106451;N=C(N)C#CCCO;RJOWUJVKAXBZCW-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106452;MM106452;CCCC#CC(N)=O;SAYXEQMGJCIVHG-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106453;MM106453;NCCC#CC(N)=O;DYWZCVLOXNAZTO-UHFFFAOYSA-N;112.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106454;MM106454;NC(=O)C#CCCO;MYPYRSFSVYPATM-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106455;MM106455;CCCC#CC(=O)O;AKYAUBWOTZJUBI-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106456;MM106456;O=C(O)C#CCCF;WMHZCXRGUUOQCL-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106457;MM106457;C=C(F)C#CCCC;LCONNOBWRKBYDD-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106458;MM106458;C=C(F)C#CCCF;GBCHOFGPZZSSRX-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106459;MM106459;CNCC#CC(C)=O;GVFQZYBBSOLVLP-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106460;MM106460;CNCC#CC(=N)N;UVMMKPVWEGOILH-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106461;MM106461;CNCC#CC(N)=O;OALAYFXGWWOTQT-UHFFFAOYSA-N;112.13;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106462;MM106462;C=C(F)C#CCNC;OJNVGKQABFYMLE-UHFFFAOYSA-N;113.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106463;MM106463;C=C(C)C#CCOC;ICWXJFLOQFGEAQ-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106464;MM106464;COCC#CC(=N)N;VZWYSACXEAOJQF-UHFFFAOYSA-N;112.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106465;MM106465;COCC#CC(N)=O;KITNNMCNYPXWHT-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106466;MM106466;C=C(F)C#CCOC;OFRUSAIHOPFBOB-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106467;MM106467;C=CCC#CC(=C)C;JDSRPIAZFIFPGF-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106468;MM106468;C=C(C)C#CCC=O;UMBDBMMIVWVQDC-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106469;MM106469;C=CCC#CC(C)=O;JBLULCCSGBOSSA-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106470;MM106470;N#CCC#CC(=N)N;BMUKXLJVZMWYJB-UHFFFAOYSA-N;107.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106471;MM106471;N#CCC#CC(N)=O;MXTZRBDUKVBFEA-UHFFFAOYSA-N;108.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106472;MM106472;C=CCC#CC(=O)O;DNZIGCTWYDKVLZ-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106473;MM106473;C=CCC#CC(=C)F;XRAJZSUFGQQMOI-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106474;MM106474;C=C(F)C#CCC=O;GKMVBCDTMHUABM-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106475;MM106475;C=C(F)C#CCC#N;JFSLHYCKLDQDOP-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106476;MM106476;C#CCC#CC(=C)C;DSLXCIXUZWCTJP-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106477;MM106477;C#CCC#CC(C)=O;UEGYTJSFEKZFTD-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106478;MM106478;C#CCC#CC(=O)O;UCOKOOOCCLLMAO-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106479;MM106479;C#CCC#CC(=C)F;NMFQITIMCXTNCR-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106480;MM106480;CC=CC#CC(C)C;ZFEYGORQUCPLHD-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106481;MM106481;CC(C)C#CC=CF;WXOZEKDZOZDWDS-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106482;MM106482;CC=CC#CC(C)N;SLWREHWFUWOEFI-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106483;MM106483;CC(N)C#CC=CF;QYDWJUMFDBWXHX-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106484;MM106484;CC=CC#CC(C)O;RKGMKMBCTMJQBR-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106485;MM106485;CC(O)C#CC=CF;IMUWENSHPQQPSL-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106486;MM106486;CC=CC#CC(C)F;ZJXZWOJFJAZWHD-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106487;MM106487;CC(F)C#CC=CF;TVXYGBZLFMECLW-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106488;MM106488;CC=CC#CC(F)F;MAXAMQSNIFCYEC-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106489;MM106489;FC=CC#CC(F)F;WRRKPSXQZIRLMW-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106490;MM106490;CC(C)C#CC=NN;FJPSIXIHAIMSTR-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106491;MM106491;CC(C)C#CC=NO;VYABYULUJMWWSC-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106492;MM106492;CC(O)C#CC=NO;VAIKPHBJFHCXIE-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106493;MM106493;CC(F)C#CC=NN;ILQZRJGLUAGJGS-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106494;MM106494;CC(F)C#CC=NO;ZOWHGVSFIJUFHN-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106495;MM106495;CN=CN(N)C(=N)C=NO;XNKJDUYIFMOLIA-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106496;MM106496;C=C(C)C#CC=CC;ZQGJVVPQQDYLSR-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106497;MM106497;C=C(C)C#CC=CF;UTYFMZWVMGPSEM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106498;MM106498;CC=CC#CC(C)=O;RDGKCSLZPRXHGS-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106499;MM106499;CC(=O)C#CC=CF;TWVXPZSSFOXDLB-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106500;MM106500;CC=CC#CC(=O)O;JXPZIFVOEQOMAW-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106501;MM106501;O=C(O)C#CC=CF;SHSYOLLTWQGOTQ-UHFFFAOYSA-N;114.08;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106502;MM106502;C=C(F)C#CC=CC;XXBXZCUMLTWFCD-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106503;MM106503;C=C(F)C#CC=CF;KOPMPYIEKGBBND-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106504;MM106504;C=C(C)C#CC=NN;PPSOXUVJXBSNJA-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106505;MM106505;C=C(C)C#CC=NO;BNXCZSMLESHCGY-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106506;MM106506;CC(=O)C#CC=NO;FXTVCCNKXBGIDR-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106507;MM106507;C=C(C#N)C(=N)NC=NO;UDFIYXVFTRIUDB-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106508;MM106508;NC(=O)C#CC=NO;CTCNNJPEEOKFPC-UHFFFAOYSA-N;112.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106509;MM106509;C=C(F)C#CC=NN;TUENCTVPKWAPPI-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106510;MM106510;C=C(F)C#CC=NO;VWATVTOGMHXIPJ-UHFFFAOYSA-N;113.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106511;MM106511;CC#CC#CC(C)C;JEKMLKRDIUKBOR-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106512;MM106512;CC#CC#CC(C)N;NRBCRIBUKCTWPL-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106513;MM106513;CC#CC#CC(C)O;BOQYSICPMSFKON-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106514;MM106514;CC#CC#CC(C)F;GQKLTYZEILPZGY-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106515;MM106515;C=C(C)C#CC#CC;IYPMTEPVIJRDJV-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106516;MM106516;CC#CC#CC(=N)N;RRPIYOCZSXBEBL-UHFFFAOYSA-N;106.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106517;MM106517;CC#CC#CC(=O)O;AABRUXCBRONHEK-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106518;MM106518;C=C(F)C#CC#CC;OYTWRWRQOMUMTN-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106519;MM106519;CCCCC=C(C)C;WEPNJTDVIIKRIK-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106520;MM106520;CC(C)=CCCCN;OYSHHNWQHGPFJP-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106521;MM106521;CN(N)C(CC=CF)=NO;FHHRPFVULOROAB-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106522;MM106522;CC(C)=CCCCF;HABKCMOMBDTYMC-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106523;MM106523;CCCCC=C(C)F;QZJXQGMNZOUXIA-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106524;MM106524;CCC(=NO)N(C=N)C=N;AHAXUKNVVOXNIK-UHFFFAOYSA-N;142.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106525;MM106525;CC(F)=CCCCF;UNBMZJZHLUJPRG-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106526;MM106526;CCCCC=C(F)F;OABXUFVTRAEJRN-UHFFFAOYSA-N;120.14;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106527;MM106527;NCCCC=C(F)F;KRYQSWDWHMBFFR-UHFFFAOYSA-N;121.13;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106528;MM106528;N#CCc1c[nH]c(CF)n1;HMTCTAWGASOMNW-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106529;MM106529;FCCCC=C(F)F;NFARXORVTVODNC-UHFFFAOYSA-N;124.11;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106530;MM106530;COCCC=C(C)C;ANBZKOWZAAIIRP-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106531;MM106531;COCCC=C(C)F;IVPYEGFGTVCDJS-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106532;MM106532;CCNCC=C(C)F;PYHZTJFQWHGFHK-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106533;MM106533;CCNCC=C(F)F;IZXHWELLPHAPJU-UHFFFAOYSA-N;121.13;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106534;MM106534;CCOCC=C(C)C;HPMSQLYFMOOLKS-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106535;MM106535;CCOCC=C(C)F;PGNRSAXGLUPOMA-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106536;MM106536;CCOCC=C(F)F;MRUDBWKETNUELC-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106537;MM106537;CCCOC=C(C)C;OSFLWKBEXKNJND-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106538;MM106538;CC(C)=COCCF;FVORIMNGQCVLBA-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106539;MM106539;CCCOC=C(C)F;PERDSXCHXMGXCL-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106540;MM106540;CC(F)=COCCF;UMSKTQWUNOPJFG-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106541;MM106541;CCCOC=C(F)F;VITLDVUZZBHJPE-UHFFFAOYSA-N;122.11;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106542;MM106542;NCCOC=C(F)F;PMJUUMOSYSBHSD-UHFFFAOYSA-N;123.1;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106543;MM106543;FCCOC=C(F)F;RRYZBAFPNWBCEU-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106544;MM106544;COCOC=C(C)C;HLOSVYMHSXUVEM-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106545;MM106545;COCOC=C(C)F;ICAYFCPBUCKJJV-UHFFFAOYSA-N;120.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106546;MM106546;COCOC=C(F)F;PZAZHDMQRZZTDI-UHFFFAOYSA-N;124.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106547;MM106547;CC(C)=NNCCN;KBPMKUSQOVVYQR-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106548;MM106548;Cc1cc(O)[nH]c1N;UBNZADWZPRIGFT-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106549;MM106549;CCCON=C(C)C;HOFOCPOTGQTZSI-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106550;MM106550;C=CCCC=C(C)C;KUFDSEQTHICIIF-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106551;MM106551;CC(C)=CCCC=O;FGQDVQHPEUMVJL-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106552;MM106552;CC(C)=CCCC#N;AMMLKWMWRWHTEL-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106553;MM106553;C=CCCC=C(C)F;XNMPPACSAAZORF-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106554;MM106554;CC(F)=CCCC=O;CHFJJXRKOFPIIQ-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106555;MM106555;CC(F)=CCCC#N;PISPRPNCERIBQF-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106556;MM106556;C=CCCC=C(F)F;JXWYYRHNENMXOZ-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106557;MM106557;O=CCCC=C(F)F;ZZGXDDQDBQCHHL-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106558;MM106558;N#CCCC=C(F)F;OXJQZCAXWOEGNA-UHFFFAOYSA-N;117.1;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106559;MM106559;CC(C)=CCNC=N;PNRHXCRBWZTVDJ-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106560;MM106560;N=CNCC=C(F)F;ROOTXFSDQRNHTD-UHFFFAOYSA-N;120.1;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106561;MM106561;O=CNCC=C(F)F;YOQBKYQVKKLCRM-UHFFFAOYSA-N;121.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106562;MM106562;C=NNCC=C(C)C;VVCPFZXDYVKDBV-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106563;MM106563;C=NNCC=C(F)F;XWSUVMPDLFNMNA-UHFFFAOYSA-N;120.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106564;MM106564;C=COCC=C(C)C;VWLRJRWNULXIMC-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106565;MM106565;CC(C)=CCOC=O;ZCROFVOAWLRGFY-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106566;MM106566;C=COCC=C(C)F;WAXSSVSHWDTXRL-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106567;MM106567;CC(F)=CCOC=O;OCCVOQBVJVJJIE-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106568;MM106568;C=COCC=C(F)F;NVARZKWXUPYVCD-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106569;MM106569;O=COCC=C(F)F;HQRLSCYQLWQWIV-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106570;MM106570;C=NOCC=C(C)C;HQLDQDYKZHGJQX-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106571;MM106571;C=NOCC=C(C)F;WKLAATMORNWNSK-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106572;MM106572;C=NOCC=C(F)F;KKJRLHHKGRLOJW-UHFFFAOYSA-N;121.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106573;MM106573;C=CCOC=C(C)C;GRKAAPPPBFFZSN-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106574;MM106574;CC(C)=COCC=O;XOSRTSMRRSGRRU-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106575;MM106575;C=CCOC=C(C)F;DTNAAWKYMIPWKF-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106576;MM106576;CC(F)=COCC=O;IZKDTHKAAMLGCY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106577;MM106577;C=CCOC=C(F)F;FNBKNEVAWHOTCI-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106578;MM106578;O=CCOC=C(F)F;IUBBKIMDYNWTPZ-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106579;MM106579;C=CCNN=C(C)C;ODEDRFAFCSZTSO-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106580;MM106580;C=CCON=C(C)C;QFGTVWUUVYWKCH-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106581;MM106581;C#CCCC=C(C)C;UDNVVNDNOWKDGK-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106582;MM106582;C#CCCC=C(C)F;KQXTYNPIOIXYRR-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106583;MM106583;C#CCCC=C(F)F;XVMRCKRNWRSFHF-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106584;MM106584;C#CCOC=C(C)C;TWIIKBBTCCJFHI-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106585;MM106585;C#CCOC=C(C)F;WBHUQFRCJYJBGP-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106586;MM106586;C#CCOC=C(F)F;SSGFZUNWLNVAOZ-UHFFFAOYSA-N;118.08;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106587;MM106587;C#CCON=C(C)C;SBUIWEZPCJVZTM-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106588;MM106588;CC=CCC=C(C)C;IILGVAQPFQYXIO-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106589;MM106589;CC(C)=CCC=CF;AQVWNUVBZKFSLL-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106590;MM106590;CC=CCC=C(C)F;QQXOUJPFZYRSDO-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106591;MM106591;CC(F)=CCC=CF;UZLZYXYEZCJYAU-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106592;MM106592;CC=CCC=C(F)F;PHWHGKXICGCPMQ-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106593;MM106593;FC=CCC=C(F)F;FSHXIJSSGWPUPE-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106594;MM106594;CC(C)=CCC=NN;PMCNOQXDYLLBHU-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106595;MM106595;CC(C)=CCC=NO;ZMBBDPPLRUCANV-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106596;MM106596;CC(F)=CCC=NN;JEZQLLCDOBSZGV-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106597;MM106597;CC(F)=CCC=NO;WMTMEFLTUTUJLD-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106598;MM106598;ON=CCC=C(F)F;KNOAKWBVKMQWAQ-UHFFFAOYSA-N;121.09;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106599;MM106599;CN=CNC=C(C)C;YPKZSRMFNWUYQK-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106600;MM106600;CC(C)=CN=CNN;PZOXQTMQAYOJBF-UHFFFAOYSA-N;113.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106601;MM106601;CN=CNC=C(C)F;YUSIYMTVNZHXAX-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106602;MM106602;N#CCC1=NNC(=N)C1;NUJJJPPRFBODHZ-UHFFFAOYSA-N;122.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106603;MM106603;ON=CNC=C(F)F;MUHPBUQVAGAYBZ-UHFFFAOYSA-N;122.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106604;MM106604;CC=COC=C(C)C;NDZRKZPGKAYWFD-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106605;MM106605;CC(C)=COC=CF;IWQHDLPQFOPRIW-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106606;MM106606;CC=COC=C(C)F;LSVKGKQVBAPQPG-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106607;MM106607;CC(F)=COC=CF;GOBGMIPUFIPUFA-UHFFFAOYSA-N;120.1;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106608;MM106608;FC=COC=C(F)F;ULOPZGBHECLPAN-UHFFFAOYSA-N;124.06;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106609;MM106609;C=CCc1cn(O)cn1;MYEMKWUDCHOMGT-UHFFFAOYSA-N;124.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106610;MM106610;CC#CCC=C(C)C;FTMQLBSMVCGTES-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106611;MM106611;CC#CCC=C(C)F;BCVFMWPAYLOELW-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106612;MM106612;CC#CCC=C(F)F;JLMXIIJMDGLBAW-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106613;MM106613;CCC=CC=C(C)C;ZXLUFQJSMQSMTR-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106614;MM106614;CC(C)=CC=CCN;KOOHPEPYHPAXQJ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106615;MM106615;CC(C)=CC=CCO;PADRFIOPYGPSDW-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106616;MM106616;CC(C)=CC=CCF;XRXMZABFYXULHM-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106617;MM106617;CCC=CC=C(C)F;MUGMCUFROURARV-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106618;MM106618;CC(F)=CC=CCN;GYDDWZISLQZBGZ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106619;MM106619;CC(F)=CC=CCO;AQRWGBXKZHUTMD-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106620;MM106620;CC(F)=CC=CCF;ANGXAZGXTVUOCK-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106621;MM106621;CCC=CC=C(F)F;GTTCDFYYUNKPJE-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106622;MM106622;NCC=CC=C(F)F;UFNUYXDBDWWOTK-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106623;MM106623;FCC=CC=C(F)F;HYZAYQWDPOUBQS-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106624;MM106624;COC=CC=C(C)C;AWKZMWZRYOXKJQ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106625;MM106625;COC=CC=C(C)F;ANKALRAVXXRNDU-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106626;MM106626;COC=CC=C(F)F;WVGCBHTZXARIFT-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106627;MM106627;CNN=CC=C(C)C;HVGXNEHJFZJTSG-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106628;MM106628;CNN=CC=C(C)F;AQHTZJWTDZRLDX-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106629;MM106629;CNN=CC=C(F)F;BHZXTFMLYFTMIF-UHFFFAOYSA-N;120.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106630;MM106630;CON=CC=C(C)C;HKYHJMQZDXTRPB-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106631;MM106631;CON=CC=C(C)F;KZBFQIGZVGBKDT-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106632;MM106632;CON=CC=C(F)F;TYGDSLWKZVQJJL-UHFFFAOYSA-N;121.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106633;MM106633;CCC=NN=C(C)C;QLPCIZRSHRVZSJ-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106634;MM106634;CC(C)=NN=CCO;BYFRXGDEGJNRFC-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106635;MM106635;CC(C)=NN=CCF;XOFXHMXWTBTDDR-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106636;MM106636;C=CC=CC=C(C)C;ACENFYRHGWWZOA-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106637;MM106637;CC(C)=CC=CC=O;DRJLBCUBINNBSR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106638;MM106638;C=CC=CC=C(C)F;DDBHIUQKEKNXCJ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106639;MM106639;CC(F)=CC=CC=O;LOFFDXDQIITBDQ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106640;MM106640;CC(F)=CC=CC#N;YKPDHKATZJOJMG-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106641;MM106641;C=CC=CC=C(F)F;PKJJIPNPKWWSHB-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106642;MM106642;O=CC=CC=C(F)F;RWCNVYJSGSEMNM-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106643;MM106643;N#CC=CC=C(F)F;DVGPTPUGGCSMKG-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106644;MM106644;C=NN=CC=C(C)C;VZPIIRKLJNWMMI-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106645;MM106645;C=NN=CC=C(C)F;VJYKJWNIQMFLTI-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106646;MM106646;C=NN=CC=C(F)F;LBMLUBFHOKXTOS-UHFFFAOYSA-N;118.09;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106647;MM106647;CC(C)=NN=CC=O;WMHHDWYAVCXVCY-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106648;MM106648;C#CC=CC=C(C)C;XHWZRLBFQJXVQM-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106649;MM106649;C#CC=CC=C(C)F;MRDHBEYXUHWNKH-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106650;MM106650;C#CC=CC=C(F)F;YRZLIKOURANFIH-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106651;MM106651;C#CC=NN=C(C)C;PQLKOKPAPJYXOE-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106652;MM106652;CCC#CC=C(C)C;FBTSUVPGJYABSC-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106653;MM106653;CC(C)=CC#CCN;UVGMAMLICLFZIC-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106654;MM106654;CC(C)=CC#CCO;QEZPDQHMLHCNJE-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106655;MM106655;CC(C)=CC#CCF;NSRGFXWXTFYPMG-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106656;MM106656;CCC#CC=C(C)F;YDORMPOWMFSPHC-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106657;MM106657;CC(F)=CC#CCO;OXJRQHRQDHNGNL-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106658;MM106658;CC(F)=CC#CCF;FHBZAXZTWFBLBX-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106659;MM106659;CCC#CC=C(F)F;GQCFMUZEHROYSG-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106660;MM106660;NCC#CC=C(F)F;UGICPJMOYPVASL-UHFFFAOYSA-N;117.1;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106661;MM106661;OCC#CC=C(F)F;QTZSKMOMDIEJTJ-UHFFFAOYSA-N;118.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106662;MM106662;FCC#CC=C(F)F;ZPDDCZMHXDRDNU-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106663;MM106663;C=CC#CC=C(C)C;HXZCBIZQGFQJNX-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106664;MM106664;CC(C)=CC#CC=O;BZMJAHRVCXQXDR-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106665;MM106665;CC(C)=CC#CC#N;RVSIUZKKVHQITC-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106666;MM106666;C=CC#CC=C(C)F;BBBWOAHMBNIBBS-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106667;MM106667;CC(F)=CC#CC=O;BEXUNNSAIOBOKZ-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106668;MM106668;CC(F)=CC#CC#N;OCXPAGVJOXPTPT-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106669;MM106669;C=CC#CC=C(F)F;OMIZWKVZDJOWPN-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106670;MM106670;O=CC#CC=C(F)F;QSCUKDYUAQBKKE-UHFFFAOYSA-N;116.07;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106671;MM106671;N#CC#CC=C(F)F;GFAQQPISWOCRDQ-UHFFFAOYSA-N;113.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106672;MM106672;C#CC#CC=C(C)C;SPPILPWFIRKMQW-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106673;MM106673;C#CC#CC=C(C)F;DFAISQFMMUGALI-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106674;MM106674;C#CC#CC=C(F)F;KVZYXGDKOVEYIR-UHFFFAOYSA-N;112.08;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106675;MM106675;C#CC1CCC1(C)C;BUZLYQXGOYQFRZ-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106676;MM106676;CCC1C(C)C1(C)C;BZKCEQZHEKBCIO-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106677;MM106677;CC1C(CN)C1(C)C;XZWJJVHORAZCST-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106678;MM106678;CON=C(NN)NC(C)=O;VQDZWJQLTZAVNO-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106679;MM106679;CC1C(CF)C1(C)C;STXJJQHMGXZGSD-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106680;MM106680;CCC1C(N)C1(C)C;KSYIXBBCWYDKAF-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106681;MM106681;CC1(C)C(N)C1CN;XOJBSZKUPOZHOL-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106682;MM106682;CC1(C)C(N)C1CO;DFHIXPFNXCTKKB-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106683;MM106683;CC1(C)C(N)C1CF;YTIPUKWCCBRSRX-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106684;MM106684;CCN=C(C=NO)NOC;WDGXPHLJSJIQNW-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106685;MM106685;CC1(C)C(O)C1CN;TVFCKHCTXHBSSM-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106686;MM106686;CC1(C)C(O)C1CO;OFJBLXWNAKKQEG-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106687;MM106687;CC1(C)C(O)C1CF;BIYASUZYGXOIIX-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106688;MM106688;CCC1C(C)C1(C)N;FMOTXTPMHMTQGB-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106689;MM106689;CC1C(CN)C1(C)N;GJPXHLRBRJOBJZ-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106690;MM106690;CC1C(CO)C1(C)N;PWGIVYOLFKHHTK-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106691;MM106691;CC1C(CF)C1(C)N;JTIOCVRQYGIMCK-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106692;MM106692;CCC1C(N)C1(C)N;CJYDVEJQPJYROY-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106693;MM106693;CC1(N)C(N)C1CN;GDSUHQFRPUCSCS-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106694;MM106694;CC1(N)C(N)C1CO;RVMPKHIVWNTULJ-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106695;MM106695;CC1(N)C(N)C1CF;MENNSZVAQAQXOC-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106696;MM106696;CCC1C(O)C1(C)N;GYSGTRBVSZCRSH-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106697;MM106697;CC1(N)C(O)C1CN;ZWZYWNKXLPDTAB-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106698;MM106698;CC1(N)C(O)C1CO;HQDGSVNMYAVHNJ-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106699;MM106699;CC1(N)C(O)C1CF;SYBPWBFHLWVVMR-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106700;MM106700;CCC1C(F)C1(C)N;RRYNDYHLDKWXBH-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106701;MM106701;CC(=N)N(C=NN)C=NO;SBJGHMGXUMLVAQ-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106702;MM106702;CC1C(CN)C1(C)O;ZVLXLLIIXLCOJA-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106703;MM106703;CC1C(CO)C1(C)O;SXJHZPHHDNJICX-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106704;MM106704;CC1C(CF)C1(C)O;HHHVTEFMWNOZKC-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106705;MM106705;CCC1C(N)C1(C)O;SSFHBOSFMBDMBA-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106706;MM106706;CC1(O)C(N)C1CN;CRNGLNWJJNIKQK-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106707;MM106707;CC1(O)C(N)C1CO;WORLTPBBBHBSKR-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106708;MM106708;CC1(O)C(N)C1CF;JBTFDMVFXIWSGJ-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106709;MM106709;CCC1C(O)C1(C)O;RBWFGMPDNDUAHT-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106710;MM106710;CC1(O)C(O)C1CN;LITBXJCCOFIHJA-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106711;MM106711;CCC1C(F)C1(C)O;QGGJTPZAVROYSF-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106712;MM106712;CCC1C(C)C1(C)F;WRLPCXJWPJBEQK-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106713;MM106713;CC1C(CN)C1(C)F;NENZVHIYIWDESK-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106714;MM106714;CC1C(CO)C1(C)F;XMBBGCTZVAXFMB-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106715;MM106715;CC1C(CF)C1(C)F;PBYBTRGYOYOBSG-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106716;MM106716;CCC1C(N)C1(C)F;XXKBVXGNVWRUTB-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106717;MM106717;CC1(F)C(N)C1CN;XUTHQAPECZDMFH-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106718;MM106718;CC1(F)C(N)C1CF;RZDMLYQBOFZDKF-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106719;MM106719;CCC1C(O)C1(C)F;ANYFNJIMVLOYIO-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106720;MM106720;CC1(F)C(O)C1CN;BGFUNPXWFIBVER-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106721;MM106721;CC1(F)C(O)C1CO;BAZNVRRDAWIEKM-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106722;MM106722;CC1(F)C(O)C1CF;ZCEZSXQXCAZQQA-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106723;MM106723;CCC1C(F)C1(C)F;YGNOUCJROSERLJ-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106724;MM106724;CC1(F)C(F)C1CN;YPFPENKIEQFIAL-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106725;MM106725;CCC1C(C)C1(F)F;WIVJVQVYIPDRLL-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106726;MM106726;CC1C(CN)C1(F)F;ZUENBKHBKYDEOV-UHFFFAOYSA-N;121.13;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106727;MM106727;CC1C(CO)C1(F)F;VSFCACSLFLWHTL-UHFFFAOYSA-N;122.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106728;MM106728;CNC1C(C)C1(C)C;LZTYZWIRHWENJA-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106729;MM106729;CNC1C(N)C1(C)C;OFQGVDGBZFKOGJ-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106730;MM106730;CNC1C(O)C1(C)C;NNIXSQHJVJPTFS-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106731;MM106731;CNC1C(C)C1(C)N;SEPUUHZVVPEGCK-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106732;MM106732;CNC1C(N)C1(C)N;ZPNUDGYBKVDWKM-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106733;MM106733;CNC1C(O)C1(C)N;WUITXCLGKKDGDT-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106734;MM106734;CNC1C(C)C1(C)O;LMXOZTTUDLHURT-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106735;MM106735;CNC1C(N)C1(C)O;QQSXVIVCARHPSM-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106736;MM106736;CNC1C(C)C1(C)F;WZSZWJUCNLEBAQ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106737;MM106737;COC1C(C)C1(C)C;IPGPTDKYZJMDTR-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106738;MM106738;COC1C(N)C1(C)C;CNRNYTDDDOKUOC-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106739;MM106739;COC1C(F)C1(C)C;WRZGWSAJIXHLIH-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106740;MM106740;COC1C(C)C1(C)N;JZAGGVDSLUNFEO-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106741;MM106741;COC1C(N)C1(C)N;OIRSITRTAGKIPM-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106742;MM106742;COC1C(O)C1(C)N;BAMIQISLNUOMLH-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106743;MM106743;COC1C(C)C1(C)O;XPFXZRGBSBFFBN-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106744;MM106744;COC1C(N)C1(C)O;BBEXCGVTXBARPR-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106745;MM106745;COC1C(O)C1(C)O;FLZUGJCHKVEPPK-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106746;MM106746;COC1C(F)C1(C)O;LBLIISXEXRTKAZ-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106747;MM106747;COC1C(C)C1(C)F;JSUUVDKCDOHUBP-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106748;MM106748;COC1C(O)C1(C)F;JNVVAPKAYPBTOS-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106749;MM106749;COC1C(F)C1(C)F;ZFKZDBVUVHFYRK-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106750;MM106750;COC1C(C)C1(F)F;MIKJXXLONIDJTI-UHFFFAOYSA-N;122.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106751;MM106751;CN1C(CN)C1(C)C;VMJGKRXJNZHXPG-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106752;MM106752;N#CC(C=O)CC(N)=NO;HRDTWQRSRUUNCE-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106753;MM106753;CN1C(CF)C1(C)C;JBZNYECZLQXWTK-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106754;MM106754;C=CC1C(C)C1(C)C;LRCNVNKKSBPWEW-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106755;MM106755;CC1C(C=O)C1(C)C;LUOSRCDRGROXGE-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106756;MM106756;CC1C(C#N)C1(C)C;RLQMYWJAGKRJEZ-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106757;MM106757;C=CC1C(N)C1(C)C;VEULFSSAJMJUKW-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106758;MM106758;C=CC(CC(C)=NN)=NO;BXHAYFZECRRAAK-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106759;MM106759;CC1(C)C(O)C1C=O;SVACGDVFMWWUBV-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106760;MM106760;CC1(C)C(O)C1C#N;CNIATEICEFLCBD-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106761;MM106761;C=CC1C(C)C1(C)N;GEFOHRURUQURRA-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106762;MM106762;C=CC1C(N)C1(C)N;HYAQPZZDCZDRIV-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106763;MM106763;C=CC1C(O)C1(C)N;HFZBGJBKWPFJIV-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106764;MM106764;C=CC1C(F)C1(C)N;XHDWERZDPLATRD-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_C4";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106765;MM106765;CC(=NN)N(C=N)C=NO;KUWQZXBIFMSSLJ-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106766;MM106766;CC1C(C=O)C1(C)O;RWLDIOKVDLUFHO-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106767;MM106767;CC1C(C#N)C1(C)O;LBCZTDBOWKIRBE-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106768;MM106768;C=CC1C(N)C1(C)O;RWGKKCFQWXKLAV-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106769;MM106769;C=CC1C(O)C1(C)O;YEXKXPPFDYRAMQ-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106770;MM106770;CC1(O)C(O)C1C#N;QVCPGRXFYHBRSJ-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106771;MM106771;C=CC1C(C)C1(C)F;MQZQWEYPWOUZAL-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106772;MM106772;CC1C(C=O)C1(C)F;VYHGIJJTBOGFDQ-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106773;MM106773;CC1C(C#N)C1(C)F;SERQXQAHBQIBJY-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106774;MM106774;C=CC1C(N)C1(C)F;IMWUYRFLWGXCPX-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106775;MM106775;C=CC1C(O)C1(C)F;VNZFEWRZKHAYAF-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106776;MM106776;CC1(F)C(O)C1C=O;SQBRWBIIPFOLHP-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106777;MM106777;CC1(F)C(O)C1C#N;OGGIRSMUBUQMIA-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106778;MM106778;CC1(F)C(F)C1C#N;XBPUGEXYIOICFN-UHFFFAOYSA-N;117.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106779;MM106779;C=CC1C(C)C1(F)F;AHHUGNMVDWMJFL-UHFFFAOYSA-N;118.13;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106780;MM106780;CC1C(C=O)C1(F)F;CHYDIGUVIDMKNS-UHFFFAOYSA-N;120.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106781;MM106781;CC1C(C#N)C1(F)F;CFIVTMISDUIOJX-UHFFFAOYSA-N;117.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106782;MM106782;N#CC1C(O)C1(F)F;FIHDWRXFVCMLBO-UHFFFAOYSA-N;119.07;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106783;MM106783;C=CC1N(C)C1(C)C;FVISIXSWTXMZTB-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106784;MM106784;CCOC(=NO)N(N)C=N;WWLQMKHQSCFZFB-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106785;MM106785;CN1C(C#N)C1(C)C;RPLZFEWSBORNDC-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106786;MM106786;CC1N(C=N)C1(C)C;JRTPDAHWYVLVRD-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106787;MM106787;CC1N(C=O)C1(C)C;QDEIKIMFUHSEGP-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106788;MM106788;C=NN1C(C)C1(C)C;WKZIPBSTSMCIIR-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106789;MM106789;C#CC1C(C)C1(C)C;FNGOAVRXGGDSHQ-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106790;MM106790;C#CC1C(N)C1(C)C;HDBRQKUMEDCWOQ-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106791;MM106791;O=CN=C(NO)NC=NO;ZNBPGVNHAOKEBK-UHFFFAOYSA-N;146.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106792;MM106792;C#CC1C(F)C1(C)C;NDHXXMUYIKOHCN-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106793;MM106793;C#CC1C(C)C1(C)N;QFASJBXCRWRFLP-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106794;MM106794;C#CC1C(N)C1(C)N;RQGSJSSLAIMIHX-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106795;MM106795;C#CC1C(O)C1(C)N;YYUHTPAKJNKROO-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106796;MM106796;C#CC1C(F)C1(C)N;WQYUBNBLJPBPKZ-UHFFFAOYSA-N;113.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_N0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106797;MM106797;CNc1nc(C)c[nH]c1=O;NHLNNRMLYMURQZ-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106798;MM106798;C#CC1C(N)C1(C)O;SYMQJHBFHZJYIO-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106799;MM106799;C#CC1C(O)C1(C)O;HECHUCISMMUQKJ-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106800;MM106800;C#CC1C(C)C1(C)F;JSEWUODMDOZZEJ-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106801;MM106801;C#CC1C(O)C1(C)F;MMOXGSUVUYZPOG-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106802;MM106802;C#CC1C(F)C1(C)F;CPRKMTPOBQBWAQ-UHFFFAOYSA-N;116.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106803;MM106803;C#CC1C(C)C1(F)F;ADLAAEQVWRHXFX-UHFFFAOYSA-N;116.11;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106804;MM106804;C#CC1N(C)C1(C)C;TWZZLPAUTCJCIH-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106805;MM106805;CCCC1CC1(C)C;NWQWWOHNBLAJQT-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106806;MM106806;CC1(C)CC1CCN;WEUOLCWLLNLQEV-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106807;MM106807;CNN(C=N)C(=NO)OC;TUTSDPJGUVXGSH-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106808;MM106808;CC1(C)CC1CCF;JWYFZIUXNUKLEQ-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106809;MM106809;CCCC1CC1(C)N;FWOWFAJEZAZQIK-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106810;MM106810;CC1(N)CC1CCN;NTENMFKMPURDMT-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106811;MM106811;CC1(N)CC1CCO;HDNPQCGUOACGPB-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106812;MM106812;CC1(N)CC1CCF;OTIURBYLZHJBAQ-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106813;MM106813;NN=C1CCC(=NO)ON1;SPEOZTIIOYHAAH-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106814;MM106814;CC1(O)CC1CCN;GHZIFAIVCZBFLB-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106815;MM106815;CC1(O)CC1CCO;SLMWMBNCQYILRX-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106816;MM106816;CC1(O)CC1CCF;ZZMQLPGVONTOTK-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106817;MM106817;CCCC1CC1(C)F;RQTZWEUJVLVTRI-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106818;MM106818;CC1(F)CC1CCN;ZYINLMDBMRQDMS-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106819;MM106819;CC1(F)CC1CCO;VRYSBEGUZBSYGU-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106820;MM106820;CC1(F)CC1CCF;HHDRHSMJOUXTTC-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106821;MM106821;CCCC1CC1(F)F;CWUCIKDINTYDDT-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106822;MM106822;NCCC1CC1(F)F;JFMDNCKAFKFJTR-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106823;MM106823;OCCC1CC1(F)F;JQUVNIOCBXWPHL-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106824;MM106824;FCCC1CC1(F)F;GKGFZCHPDRVBPT-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106825;MM106825;CNCC1CC1(C)C;DEYFGXAJBCGHEC-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106826;MM106826;CNCC1CC1(C)N;UEFYTIVOXXWQBH-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106827;MM106827;CNCC1CC1(C)O;KVRJJKCOEWSXRG-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106828;MM106828;CNCC1CC1(C)F;FNPAORBWSSIDGQ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106829;MM106829;CNCC1CC1(F)F;YOIMBYWXZGMQKT-UHFFFAOYSA-N;121.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106830;MM106830;COCC1CC1(C)C;JBMOKWDQRGLVSY-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106831;MM106831;COCC1CC1(C)N;PYZWUMXKSDFGHY-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106832;MM106832;COCC1CC1(C)O;JJNMCVIFNQJTAZ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106833;MM106833;COCC1CC1(C)F;XNACTEIHZTVKGP-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106834;MM106834;COCC1CC1(F)F;DIIDLVMALWZECQ-UHFFFAOYSA-N;122.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106835;MM106835;CCNC1CC1(C)C;FWXLJLOFQWMVKF-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106836;MM106836;CCNC1CC1(C)N;WSLLNFGTZYNZSL-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106837;MM106837;CCNC1CC1(C)O;VEPAPAFMDUERRM-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106838;MM106838;CCNC1CC1(C)F;DFBVXQMZDHEDTG-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106839;MM106839;CCOC1CC1(C)C;WJDJFFKLOIQHGX-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106840;MM106840;CCOC1CC1(C)N;IXWCSHCUKAEKOD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106841;MM106841;CCOC1CC1(C)O;ACFQCBXRZZASIG-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106842;MM106842;CCOC1CC1(C)F;XDCADMLARQFIAN-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106843;MM106843;CCOC1CC1(F)F;JPTLELIRAOVLOW-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106844;MM106844;CC1(C)NC1CCN;ZIVFIIRUDNMTIX-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106845;MM106845;CNCC1NC1(C)C;BMJKXEASQXAOHI-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106846;MM106846;CCCC1OC1(C)C;ZWMFGIJPJXEKCV-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106847;MM106847;CC1(C)OC1CCN;LSMFFSZXKXWAGK-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106848;MM106848;CC1(C)OC1CCO;ZPGGKNZDYTVOTP-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106849;MM106849;CC1(C)OC1CCF;GDOMYNMMLABLJX-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106850;MM106850;CNCC1OC1(C)C;AMBDUIYXFCAQHX-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106851;MM106851;COCC1OC1(C)C;FQEIFONQKLVETL-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106852;MM106852;CC1(C)CN1CCN;CHSXXRJTXPDDEY-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106853;MM106853;CC1(C)CN1CCF;CLPGZRSQNFEUNR-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106854;MM106854;C=CCC1CC1(C)C;FKUZGYRDEFYKPY-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106855;MM106855;CC1(C)CC1CC=O;STASMENWCCESJO-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106856;MM106856;CC1(C)CC1CC#N;XIRQRLAMDAIWFH-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106857;MM106857;C=CCC1CC1(C)N;JPJHSLBDDZESCU-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106858;MM106858;C=CC(C#CC1CN1)=NO;YGADXNRYXXECPQ-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106859;MM106859;CC1(O)CC1CC=O;ADYYMPDHJKOVSM-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106860;MM106860;CC1(O)CC1CC#N;FWEIAYAANLZOMS-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106861;MM106861;C=CCC1CC1(C)F;UPDFGIJNYRJSTH-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106862;MM106862;CC1(F)CC1CC=O;BJHRXEKHBGRWOB-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106863;MM106863;CC1(F)CC1CC#N;DBXABEVWEGXODJ-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106864;MM106864;C=CCC1CC1(F)F;YSDVXQZHFFFDHB-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106865;MM106865;O=CCC1CC1(F)F;UKUFFRFIQQDRFB-UHFFFAOYSA-N;120.1;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106866;MM106866;N#CCC1CC1(F)F;OYCFSAJWRHXUSV-UHFFFAOYSA-N;117.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106867;MM106867;CC1(C)CC1NC=N;KXICIFHBLWVFCR-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106868;MM106868;ON=C1NNC2(CF)CC12;OJEPMGXYYPEICS-UHFFFAOYSA-N;145.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106869;MM106869;CC1(N)CC1NC=N;JYTIDBGZGDUAMD-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106870;MM106870;CC1(N)CC1NC=O;OTOMJFKFBMLVFA-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106871;MM106871;CC1(O)CC1NC=N;GUKJBBGZTXDSLA-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106872;MM106872;CC1(O)CC1NC=O;RTUAWWFVNPMMAX-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106873;MM106873;CC1(F)CC1NC=N;DYVMCUABENKPOW-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106874;MM106874;CC1(F)CC1NC=O;QOCZVWNNQQHFNQ-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106875;MM106875;N=CNC1CC1(F)F;RVXJPTDFWVEFOU-UHFFFAOYSA-N;120.1;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106876;MM106876;O=CNC1CC1(F)F;KCCOURHICLSPHE-UHFFFAOYSA-N;121.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106877;MM106877;C=NNC1CC1(C)C;STGYRGHHZNEUDK-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106878;MM106878;C=NNC1CC1(C)N;DLIIOQUFPJJYHS-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106879;MM106879;CN(C=NO)N=CNO;JXGHAKDQDHBIMG-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106880;MM106880;C=NNC1CC1(C)F;TUXSYYJRMIUITP-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106881;MM106881;CC1C(CC=NO)N1C;MKOLEOIFNJRMBY-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106882;MM106882;C=COC1CC1(C)C;PHYCXXVHPRPXSQ-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106883;MM106883;CC1(C)CC1OC=O;WTFDTSCIGPHPSQ-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106884;MM106884;C=COC1CC1(C)N;QKHAZYVLXMEFDA-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106885;MM106885;CC1(N)CC1OC=O;YCXMPUOGZATCRL-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106886;MM106886;C=COC1CC1(C)O;XZZQQOXGJZWZGP-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106887;MM106887;CC1(O)CC1OC=O;BYMZERHQTHVDLQ-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106888;MM106888;C=COC1CC1(C)F;WAINHFIBZNWIJP-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106889;MM106889;CC1(F)CC1OC=O;HRSPQUOQTYQOJN-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106890;MM106890;C=COC1CC1(F)F;XJPGORUURUAPNZ-UHFFFAOYSA-N;120.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106891;MM106891;O=COC1CC1(F)F;KNPKFOCXMYBPBR-UHFFFAOYSA-N;122.07;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106892;MM106892;C=NOC1CC1(C)C;PIFVFRBBTYVBBR-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106893;MM106893;C=NOC1CC1(C)N;COFVFGYJVSGLLA-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106894;MM106894;C#CC(=N)NC(=O)NC=N;QIUDXXZESBTGIA-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106895;MM106895;C=NOC1CC1(C)F;FHWUSIGPBPHWIO-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106896;MM106896;C=NOC1CC1(F)F;HZACQSKNAUDPBO-UHFFFAOYSA-N;121.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106897;MM106897;CC1(C)NC1CC#N;LKZRQXGQMUJUIM-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106898;MM106898;C=CCC1OC1(C)C;BESLJVSRALWQCH-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106899;MM106899;CC1(C)OC1CC=O;AJDROBQGSCAQLD-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106900;MM106900;CC1(C)OC1CC#N;BSCMKLJUQHLXQU-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106901;MM106901;CCC(=NO)C(=N)N(C)O;BBTBERXDIDZLSE-UHFFFAOYSA-N;145.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106902;MM106902;CC1(C)CN1CC#N;NNUSWDQZXHONPZ-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106903;MM106903;CC1(C)CN1NC=N;BOXCDUFBAWINMV-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106904;MM106904;CC1(C)CN1NC=O;SMTUDLKEBAEWQZ-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106905;MM106905;C#CCC1CC1(C)C;NVIYUBCXQDXNAN-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106906;MM106906;C#CCC1CC1(C)N;FUYJQWABZZZCOR-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106907;MM106907;C=CC(C=C(N)OC)=NO;BNWUQOYKMXGTHG-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106908;MM106908;C#CCC1CC1(C)F;BZFUJLUPIOUHRM-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106909;MM106909;C#CCC1CC1(F)F;YSOHXSHPEVRKTO-UHFFFAOYSA-N;116.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106910;MM106910;C#CCC1OC1(C)C;IMFFOMUKMGBJKD-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106911;MM106911;C#CCN1CC1(C)C;XKTRIFINSBMZST-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106912;MM106912;CC1CCCC1(C)C;WINCSBAYCULVDU-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106913;MM106913;CC1(C)CCCC1N;NODFGJYBXPEUCQ-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106914;MM106914;N=CN(C=NO)C(=N)CN;JRAYCRCUUOAYIX-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106915;MM106915;CC1(C)CCCC1F;YIMVRMOJHWSUFB-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106916;MM106916;CC1CCCC1(C)N;YRRPKYQXTRFWID-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106917;MM106917;CC1(N)CCCC1N;LZCZJOQIFNWYCU-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106918;MM106918;CC1(N)CCCC1O;ILUIMBJWBNKCAR-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106919;MM106919;CN=C1CC(CC#N)=NN1;XDBXWUZUSRCYMF-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106920;MM106920;CC1(O)CCCC1N;KKBCPZUWBKCECT-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106921;MM106921;CC1(O)CCCC1O;CVZBNRSGTBIHPO-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106922;MM106922;CC1CCCC1(C)F;KQSDHKZFDCRZAT-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106923;MM106923;CC1CNCC1(C)C;VNMCWTPEADRUFW-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106924;MM106924;CC1(C)CNCC1N;PSOSCZPVIGSAAZ-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106925;MM106925;CC1(C)CNCC1O;CUVTUAIJKLXTRO-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106926;MM106926;CC1CNCC1(C)N;HWCZUXNZDLBQIC-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106927;MM106927;CC1(N)CNCC1N;RLVJAALUPOWNOE-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106928;MM106928;CC1(N)CNCC1O;KYFUBZBQMGHRHE-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106929;MM106929;CC1CNCC1(C)O;XVCRAOGBDLAWHG-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106930;MM106930;CC1(O)CNCC1N;WSFKXHZBOMFWCV-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106931;MM106931;CC1CNCC1(C)F;UOVLBNSYMJPWAB-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106932;MM106932;CC1COCC1(C)C;DJMHNPBODPCBJW-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106933;MM106933;CC1(C)COCC1N;VHFXMSJDPBSIPU-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106934;MM106934;CC1COCC1(C)N;LIMFSMOKPZBVDY-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106935;MM106935;CC1NCCC1(C)C;SGVPYTKLHWHYIC-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106936;MM106936;CC1NCCC1(C)N;LSJZTCHCPRFJSG-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106937;MM106937;CC1NCCC1(C)O;IPVOTXZAGPNAOL-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106938;MM106938;CC1NCCC1(C)F;UYJUQQRDUJRTNP-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106939;MM106939;CC1OCCC1(C)C;KACQCVIOAHCAKM-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106940;MM106940;CC1OCCC1(C)N;AXWLTIYDQWQSEC-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106941;MM106941;CC1OCCC1(C)O;LFPMIOINJQCYRV-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106942;MM106942;CC1OCCC1(C)F;LZOAAFBTMOFJEL-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106943;MM106943;CC1CCNC1(C)C;JARCPRULXFKTBE-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106944;MM106944;CC1(C)NCCC1N;KXIDLVNTUQFPDA-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106945;MM106945;CC1(C)NCCC1O;JDZXBVUTOWDOLV-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106946;MM106946;CC1CCOC1(C)C;GPANTFCPEKPASR-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106947;MM106947;CC1(C)OCCC1N;OFBKKJZMUHQYIN-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106948;MM106948;CC1(C)OCCC1O;PBVVKKCMOMDGNB-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106949;MM106949;CC1OCOC1(C)C;RKVUSMJVJZFGKI-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106950;MM106950;CN1CCCC1(C)C;STDJRYDBFFDKCR-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106951;MM106951;C=C1CCCC1(C)C;HKOFRIMKDJWSKE-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106952;MM106952;CC1(C)CCCC1=O;FTGZMZBYOHMEPS-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106953;MM106953;C=C1CCCC1(C)N;BYSWUSVMHIRUEM-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106954;MM106954;CCCc1cnc(OC)[nH]1;GLPXHCHGVVIXFI-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106955;MM106955;CC1(O)CCCC1=O;DIPSWNUPSRRWEH-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106956;MM106956;C=C1CCCC1(C)F;GGPJWKVZWUMXIE-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106957;MM106957;C=C1CNCC1(C)C;JUZPSGJNFVGKSP-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106958;MM106958;C=C1CNCC1(C)N;MYZQJBWGEVLCFZ-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106959;MM106959;C=C1CNCC1(C)O;IWQNWWYKORMJJH-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106960;MM106960;C=C1CNCC1(C)F;SQNVDLYRXVZZFP-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106961;MM106961;C=C1COCC1(C)C;GKPKQQVCYLPSSV-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106962;MM106962;CC1(C)COCC1=O;XYDIXPVBQATDIM-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106963;MM106963;C=C1COCC1(C)N;AWYFGRRRSOTIBN-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106964;MM106964;C=C1COCC1(C)O;GIQDPHSLGRPHCB-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106965;MM106965;CC1(O)COCC1=O;VZPOQVFDCHJZQE-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106966;MM106966;CC1(C)CCNC1=N;TZNJDGSLAAZRQS-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106967;MM106967;CC1(C)CCNC1=O;IYZVTTRRGCJXGK-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106968;MM106968;CC1(N)CCNC1=N;SANJSTNFQICGTG-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106969;MM106969;CC1(N)CCNC1=O;ADCBCVDWUYMSGD-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106970;MM106970;CC1(O)CCNC1=N;KJFXUYCRNZYKHM-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106971;MM106971;CC1(O)CCNC1=O;OWGJCVMFEQELOK-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106972;MM106972;CC1(F)CCNC1=O;FAQJDINJZSONJN-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106973;MM106973;CC1(C)CNNC1=N;NJDDWEFPLOPPQZ-UHFFFAOYSA-N;113.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106974;MM106974;C=NN1CC(=NO)CC1C;WBRCAIVAYXEPRJ-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106975;MM106975;CC1(N)CNNC1=N;KXEAEPZEYBLPBH-UHFFFAOYSA-N;114.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106976;MM106976;CC1(O)CNNC1=N;AESHOPQEOCJZHG-UHFFFAOYSA-N;115.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106977;MM106977;CC1(O)CNNC1=O;IHZIFDUDPOAFNI-UHFFFAOYSA-N;116.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106978;MM106978;CC1(C)CONC1=N;HHKIWWXVMVXZKP-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106979;MM106979;OCc1nc(F)c(F)[nH]1;YTXBRCHXZPEWHB-UHFFFAOYSA-N;134.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106980;MM106980;C=C1OCCC1(C)C;URFXWVCVNIKLHO-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106981;MM106981;CC1(C)CCOC1=O;UPVAIJPDWVTFKT-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106982;MM106982;C=C1OCCC1(C)N;WFXXAAPQOOAGIF-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106983;MM106983;C=C1OCCC1(C)O;PFACIGGZONJQGQ-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106984;MM106984;CC1(O)CCOC1=O;XVQNGICOIZBDTJ-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106985;MM106985;C=C1OCCC1(C)F;LOMDESJTLAZJQZ-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106986;MM106986;C=C1CCNC1(C)C;PGAHPCQBTAHTOH-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106987;MM106987;C=C1CCOC1(C)C;VOBIPUWSVHEMPN-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106988;MM106988;CC1(C)OCCC1=O;SBFGOECBUWGUNY-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106989;MM106989;C=C1OCOC1(C)C;QJGRWLXEDIIUAQ-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106990;MM106990;CC1(C)OCOC1=O;XIVQEWDTUYGVEU-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106991;MM106991;CC1C=CCC1(C)C;KYTOLKCNMIZSRN-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106992;MM106992;CC1(C)CC=CC1N;LDTVBWBTTGBUOG-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106993;MM106993;N=Nc1c[nH]c(=NN)n1O;WLYMVJQZDXRZEE-UHFFFAOYSA-N;142.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106994;MM106994;CC1(C)CC=CC1F;UONIVOBATNHCPX-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106995;MM106995;CC1C=CCC1(C)N;KQXLXPBVIRTEFZ-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106996;MM106996;CC1(N)CC=CC1N;PQDFQLZCRRNONO-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106997;MM106997;CC1(N)CC=CC1O;PMCHKFMOVOQPAR-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106998;MM106998;O=CC1=NNC(=NO)NC1;VEYKYVHXRPCJQT-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM106999;MM106999;CC1(O)CC=CC1N;WINHYTYGSLLJKB-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107000;MM107000;CC1(O)CC=CC1O;ROAPSBBDVNYWRO-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107001;MM107001;CC1C=CCC1(C)F;ISYKITRQSJRYDO-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107002;MM107002;CC1(F)CC=CC1N;XMRRUQCHHRESDV-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107003;MM107003;CC1(F)CC=CC1O;FHOKKHGYUPLNGF-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107004;MM107004;CC1C=NNC1(C)C;LHFWUJOXAJMOHY-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107005;MM107005;C#CC12CC1C(=NO)NN2;FKHLVRNETKEOIN-UHFFFAOYSA-N;137.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107006;MM107006;CC1N=CNC1(C)C;DPCCWYJFGPZHDK-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107007;MM107007;CC1C=COC1(C)C;LWXOVCSEFIRPQX-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107008;MM107008;CC1(C)OC=CC1N;HWKXFIOOWAOJMP-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107009;MM107009;CC1(C)OC=CC1O;UWPVRPHJZMYVMV-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107010;MM107010;CC1C=NOC1(C)C;UZLUQDPJCZBISS-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107011;MM107011;CC(=N)N(C=N)C=NO;WCMKVGKIHPZGRO-UHFFFAOYSA-N;128.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107012;MM107012;CN1C=NCC1(C)C;HXBZZBKCBFQDSI-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107013;MM107013;Cc1nc(O)c(C)n1C;HLEPEPSCHNRMCM-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107014;MM107014;CN1N=CCC1(C)C;WTCVGHOOVIBCEW-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107015;MM107015;C=C1C=CCC1(C)C;LAADOHAYZQXZRE-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107016;MM107016;CC1(C)CC=CC1=O;OUDVKHIZRZRHGO-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107017;MM107017;C=C1C=CCC1(C)N;UFABXXDSYBQHFF-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107018;MM107018;C=CC1=CNC(=O)C1=N;IJUITKDFTKGWOI-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107019;MM107019;C=C1C=CCC1(C)F;VLQXGEUMZGVIEN-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107020;MM107020;CC1(F)CC=CC1=O;SQYUNNBHHHXTDZ-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107021;MM107021;CC1(C)NC=CC1=O;TWLXOLHIGKHHDU-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107022;MM107022;C=C1C=NNC1(C)C;KTCVXSQTJGXZFZ-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107023;MM107023;CCN1CC1CC=NO;QFTATKXUCJKBPC-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107024;MM107024;C=NOC(C)CCC=NO;HSYWDNJMAOCWNP-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107025;MM107025;C=C1C=COC1(C)C;YBWZXICGMOGDMI-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107026;MM107026;CC1(C)OC=CC1=O;HVNICCSXGONRCB-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107027;MM107027;C=C1C=NOC1(C)C;AAEAAZSRYYNNNK-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107028;MM107028;CC1(C)ON=CC1=O;JDEYZPRHEZRZLN-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107029;MM107029;CC1CC=CC1(C)C;NYOCUJLSSCYRJR-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107030;MM107030;CC1(C)C=CCC1N;PPWGZEZAUWXMDY-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107031;MM107031;CN(N)C(C=NO)=NC=N;FICCPAGWSLFFMY-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107032;MM107032;CC1(C)C=CCC1F;KZFLGJGHCLQHPR-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107033;MM107033;CC1CC=CC1(C)N;HYGYCNXCFDZPMD-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107034;MM107034;CC1(N)C=CCC1N;DVCZRHSQTYWMJY-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107035;MM107035;CC1(N)C=CCC1O;SBJPKNILVXMJCX-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107036;MM107036;C#CCC(C=NO)=C(C)N;XZVNXVADXHGTDO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107037;MM107037;CC1(O)C=CCC1N;IJJJDDDMRIYQKJ-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107038;MM107038;CC1(F)C=CCC1N;DRGQQMCZYLMRNY-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107039;MM107039;CC1(F)C=CCC1O;OELPIMGJNSYKND-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107040;MM107040;CC1NN=CC1(C)C;UAKAJSMYELUSPD-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107041;MM107041;CC(=NO)C(=N)NC=NO;SMNAHQCIUFFDNM-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107042;MM107042;C=CC(=N)N(C=N)C=NO;CCNBBCFAZRECQI-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107043;MM107043;CC1OC=CC1(C)C;DWEWQIUBJUTAOF-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107044;MM107044;CC1OC=CC1(C)N;DNHLZOVJZKFPJX-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107045;MM107045;CC1OC=CC1(C)O;OSRXUCOKDJOLPP-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107046;MM107046;CC1OC=CC1(C)F;PNYKGIDVBLWISQ-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107047;MM107047;CC1ON=CC1(C)C;NXUPCJUBKSQDBD-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107048;MM107048;CC(C=O)C(C=NO)=CN;RYKWRYPFFIMCQU-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107049;MM107049;CC1ON=CC1(C)F;XCRSSFMSVZQSDV-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107050;MM107050;CN1CC=CC1(C)C;GTXKZTQDTZNGIM-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107051;MM107051;C=C1CC=CC1(C)C;DEKXDXQPCNVDKK-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107052;MM107052;CC1(C)C=CCC1=O;KDFZKKINWOWAFI-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107053;MM107053;C=C1CC=CC1(C)N;NKHVICDEZZIWDK-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107054;MM107054;CNNC(=NO)OC=NN;KXHYQBNCXMBGNX-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107055;MM107055;CC1(O)C=CCC1=O;SKLLVGZLLJPPQK-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107056;MM107056;C=C1CC=CC1(C)F;OPRKFBFSYCYBIB-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107057;MM107057;CC1(C)C=CNC1=N;ISUXLPWURZAHFB-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107058;MM107058;CC1(C)C=CNC1=O;SWFZYGSTUWMTPI-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107059;MM107059;CC1(N)C=CNC1=N;DTYAKGKUHKNVQQ-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107060;MM107060;CC1(O)C=CNC1=N;WFLRUISNWXJVQG-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107061;MM107061;CC1(O)C=CNC1=O;JAXAEIQARSTOBS-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107062;MM107062;CC1(C)C=NNC1=O;LLRXJBAZMDODAN-UHFFFAOYSA-N;112.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107063;MM107063;CNN=CN(C=N)C=NO;OXHWMJKPLHZIIJ-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107064;MM107064;CC1(O)C=NNC1=O;ISUJJAMZHJHAEN-UHFFFAOYSA-N;114.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107065;MM107065;CONC(=O)NC=N;BDORXTGYHQGNLC-UHFFFAOYSA-N;117.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107066;MM107066;C=C1OC=CC1(C)C;FXQWEXSMCHBRFP-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107067;MM107067;CC1(C)C=COC1=O;READJJXHCYKDLL-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107068;MM107068;C=C1OC=CC1(C)N;JUAWNJJIGANNOO-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107069;MM107069;C=C1OC=CC1(C)O;UDSMWLIURDGFQC-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107070;MM107070;CC1(O)C=COC1=O;VBSKNVWBBRVBFV-UHFFFAOYSA-N;114.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107071;MM107071;C=C1OC=CC1(C)F;SWKXNFVGZRYAET-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107072;MM107072;CC1(C)C=NOC1=O;KWJLWPJQPUTVPD-UHFFFAOYSA-N;113.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107073;MM107073;CC1(N)C=NOC1=O;MMYGRMZHJLAVRR-UHFFFAOYSA-N;114.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107074;MM107074;CC1(O)C=NOC1=O;BXQMFWIKXAGJSM-UHFFFAOYSA-N;115.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107075;MM107075;C=C1NC=NC1(C)C;GBTHFDCNVHWJMN-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107076;MM107076;CC1=CCCC1(C)C;OHIIGLSGZTXTBM-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107077;MM107077;CC1(C)CCC=C1F;OKQLEBONEYWWSG-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107078;MM107078;CC1=CCCC1(C)N;SQBVXUJBZYQSIE-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107079;MM107079;CC1(N)CCC=C1F;RRZWXLJTVXJIRW-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107080;MM107080;NN1C=NC(=NO)C1;DCLSBTAKBKLLIU-UHFFFAOYSA-N;114.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107081;MM107081;CC1(O)CCC=C1F;HYOODAYKUFYKON-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107082;MM107082;CC1=CCCC1(C)F;DLKKOKRCMLHBFX-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107083;MM107083;CC1=COCC1(C)C;CEWBKNIGTBRAMH-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107084;MM107084;CC1(C)COC=C1F;HHSAGAKDBSNPKR-UHFFFAOYSA-N;116.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107085;MM107085;CC1=COCC1(C)N;SCQXYBFMSIRATA-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107086;MM107086;CC1=COCC1(C)O;YEBPQUDRIJXZDM-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107087;MM107087;CC1(O)COC=C1F;DFFACDDVDOWBIH-UHFFFAOYSA-N;118.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107088;MM107088;CC1=COCC1(C)F;IBICWWNNAGRYHC-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107089;MM107089;CC1=NNCC1(C)C;WDJHFDLFFRGGIV-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107090;MM107090;ON=CCCN1CC1;XHUABGSWSCCGBX-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107091;MM107091;CN(C)CC(=NO)NN;HHOYFOSOHNLGGB-UHFFFAOYSA-N;132.17;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107092;MM107092;CC1=NOCC1(C)C;KYGQRACUNXYZOG-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107093;MM107093;Nc1c(CO)ncn1O;SHXWPRMLURFKQI-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107094;MM107094;CC1=NOCC1(C)F;XWAMMFFDXLEABV-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107095;MM107095;CC1=CCNC1(C)C;KLDSEODSPDXXEY-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107096;MM107096;CC1(C)NCC=C1F;WHRGIYDKDHPNOG-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107097;MM107097;CC1=CCOC1(C)C;JDZIRQRXOSGQQL-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107098;MM107098;CC1(C)OCC=C1F;XDBBUJUEHQPDDX-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107099;MM107099;CC1=CC=CC1(C)C;UZUDKFSOJJFLIF-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107100;MM107100;CC1(C)C=CC=C1F;KGTDPMALCCLGOY-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107101;MM107101;CC1=CC=CC1(C)N;FYNJNUQLUNEPKV-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107102;MM107102;CN(NC=O)C(=O)NC=N;ODBZKGUJHHWNFT-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107103;MM107103;CC1(O)C=CC=C1F;UZAXFOQXXGGOJX-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107104;MM107104;CC1=CC=CC1(C)F;KMYINXHGKWIVQQ-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107105;MM107105;CC1=NN=CC1(C)C;XCBUYAXJCLCITJ-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107106;MM107106;CC1=NN=CC1(C)O;WQLARAKQGAAQQL-UHFFFAOYSA-N;112.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107107;MM107107;CC1=NN=CC1(C)F;JPEGNYLKZMSBRH-UHFFFAOYSA-N;114.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107108;MM107108;CC1CC(C)C1(C)C;GPFWCBMOQMLOIL-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107109;MM107109;CC1CC(N)C1(C)C;JAHCZTXDPWUMSA-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107110;MM107110;C=C(F)COC(=NO)NN;VNYHOPIJOXEWNX-UHFFFAOYSA-N;149.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107111;MM107111;CC1CC(F)C1(C)C;AZLOCMZRPUPZKR-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107112;MM107112;CC1(C)C(N)CC1N;NAPNCZAANQXDFO-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107113;MM107113;CC1(C)C(N)CC1O;MLXIQOVWRZVXSV-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107114;MM107114;CC1(C)C(N)CC1F;OHNLLUXEWXWDIP-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107115;MM107115;CC1(C)C(O)CC1O;CREZVKNYLKCGGU-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107116;MM107116;CC1(C)C(O)CC1F;GPMIOBQWMQSESD-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107117;MM107117;CC1CC(C)C1(C)N;RSIKPHUTLONKGH-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107118;MM107118;CC1CC(N)C1(C)N;VUZFAQJXBSXSHG-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107119;MM107119;CC1CC(O)C1(C)N;LMUSDIYIXCWXKP-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107120;MM107120;NC=C(C=CC=O)C=NO;HNQUURRQLWHSRN-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107121;MM107121;CC1NC(C)C1(C)C;XISBYGPGLJOCFU-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107122;MM107122;CC1OC(C)C1(C)C;WBZDIRJOIKRYNW-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107123;MM107123;CC1CN(C)C1(C)C;VNJRNWXTRRMWEF-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107124;MM107124;CN1CC(N)C1(C)C;PXHBWHYREXPLNX-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107125;MM107125;CC1CC(=O)C1(C)C;XCNUTNIUANPMKW-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107126;MM107126;CC1(C)C(=O)CC1O;HIHXJYFTNFBAKH-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107127;MM107127;CC1(C)C(=O)CC1F;INUSHIIMGATCCF-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107128;MM107128;CC1NC(=O)C1(C)C;ORMWGSZRBHUGBI-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107129;MM107129;CC1OC(=O)C1(C)C;DZJYBEBRJNJOLP-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107130;MM107130;N#CC=C1CNC(=NO)C1;JNLAASHOGVQKEE-UHFFFAOYSA-N;137.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107131;MM107131;CCCC(C)CCC;CHBAWFGIXDBEBT-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107132;MM107132;CCCC(C)CCN;AWBMXILPKKHYSO-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107133;MM107133;Nc1ccc(O)[nH]1;BRRHKWACTWKMHW-UHFFFAOYSA-N;98.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107134;MM107134;CCCC(C)CCF;CBRHNUDGFHPERQ-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107135;MM107135;CC(CCN)CCF;JRIOQUIEMGJMCA-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107136;MM107136;CC(CCF)CCF;GAQGZLKWVSPNTA-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107137;MM107137;CCCC(N)CCC;CLJMMQGDJNYDER-UHFFFAOYSA-N;115.22;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107138;MM107138;CCCC(N)CCF;COZVZSUBZXXUON-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107139;MM107139;NCCC(N)CCN;SCHTXWZFMCQMBH-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107140;MM107140;NCCC(N)CCO;PBEMAPHCPDXBQA-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107141;MM107141;NCCC(N)CCF;CAZDUXRTJYEEQU-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107142;MM107142;NC(CCO)CCF;ZVWSQFLRYSYHRL-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107143;MM107143;C#CC(C=C(C)N)=NO;JJQBPIUTPNVEFW-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107144;MM107144;CCCC(O)CCF;LVOQCSLRNKCYLQ-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107145;MM107145;NCCC(O)CCN;DCPSTLZVUJTDTC-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107146;MM107146;NCCC(O)CCO;IDCGPHOIPHBNTF-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107147;MM107147;CCCC(F)CCC;UZPLADUPKTWUAG-UHFFFAOYSA-N;118.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107148;MM107148;CCCC(F)CCN;OUPJQNLAGAGZFM-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107149;MM107149;CCCC(F)CCO;FYEWJLIJAGWZNT-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107150;MM107150;CCCC(F)CCF;PFKWQOFVVAWEAJ-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107151;MM107151;NCCC(F)CCN;LGICJEFMIXNCBC-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107152;MM107152;NCCC(F)CCO;SKSMSXFVBUEPFK-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107153;MM107153;NCCC(F)CCF;FDMQJVUOCHGGHE-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107154;MM107154;FCCC(F)CCF;NMVCSLPHTHXYMA-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107155;MM107155;CCCC(C)CNC;WPXMLBDVHIFOPP-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107156;MM107156;CNCC(C)CCF;FKPJUNYWQUNEQE-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107157;MM107157;CNCC(N)CCN;MXBWVLFJCDHLKQ-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107158;MM107158;CNCC(N)CCF;PVFAXBOEDGWBMA-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107159;MM107159;CNCC(O)CCN;VYBJKCCODWETNM-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107160;MM107160;CNCC(O)CCO;XWTKYMIJXXGNHP-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107161;MM107161;CCCC(F)CNC;AIYAITLJWVJMAU-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107162;MM107162;CCCC(C)COC;RIUOOLJJUPJFSW-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107163;MM107163;COCC(N)CCN;SBSAJORKEKRLHZ-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107164;MM107164;COCC(N)CCO;RJJKIMBTZBWVMC-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107165;MM107165;COCC(O)CCN;KYRDOZQCNGHFMM-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107166;MM107166;COCC(O)CCO;FQXVGBHIIPBPIU-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107167;MM107167;CCCC(F)COC;VGWJXGVQKUZNLC-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107168;MM107168;COCC(F)CCF;FGUHKXQOAYYCRJ-UHFFFAOYSA-N;124.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107169;MM107169;CNCC(O)CNC;SJNHRPFNCJRRPT-UHFFFAOYSA-N;118.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107170;MM107170;CNCC(O)COC;FQPOLOTYYAEFEQ-UHFFFAOYSA-N;119.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107171;MM107171;COCC(N)COC;DSZCUJHVOLGWBO-UHFFFAOYSA-N;119.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107172;MM107172;COCC(F)COC;BKEZCUPIMQOSFW-UHFFFAOYSA-N;122.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107173;MM107173;CCCC(C)NCC;MVAOLFCQWQECDS-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107174;MM107174;CCNC(C)CCF;NCNBJUAFTFJLRG-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107175;MM107175;CCCC(C)OCC;XFKPOLRDQWCGPV-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107176;MM107176;CCOC(C)CCN;DRWMUUNKNWYKFF-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107177;MM107177;CCOC(C)CCO;UTVOVDXBOIGHTP-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107178;MM107178;CCOC(C)OCC;DHKHKXVYLBGOIT-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107179;MM107179;CCCN(C)CCC;UVBMZKBIZUWTLV-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107180;MM107180;CN(CCN)CCN;HYSQEYLBJYFNMH-UHFFFAOYSA-N;117.2;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107181;MM107181;CN(CCN)CCO;XYJVGUKOTPNESI-UHFFFAOYSA-N;118.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107182;MM107182;CN(CCO)CCO;CRVGTESFCCXCTH-UHFFFAOYSA-N;119.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107183;MM107183;CCCC(C)CC=O;ZSJUABCTGCNBPF-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107184;MM107184;C=CCC(C)CCN;IBHGNRWBWZCQGN-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107185;MM107185;CCc1cnc(OC)[nH]1;CCMDWJWLTAGDKP-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107186;MM107186;CC(CC=NO)N1CC1;GFJGSRUOJJGRNV-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107187;MM107187;CC(CC#N)CCO;HOXUAMGEZZERIC-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107188;MM107188;C=CCC(C)CCF;VIBRPPHOHAGUKJ-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107189;MM107189;CC(CC#N)CCF;RTHHIWZVOGRDCI-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107190;MM107190;C=CCC(N)CCC;MBIXPJLZVFEMEC-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107191;MM107191;C=CCC(N)CCO;HJELBTWXIWSUSB-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107192;MM107192;C#CC=CC(N)=CC=NO;HHFZCDOQWKBYOP-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107193;MM107193;CCCC(O)CC=O;JVDKSPFKTRMHMA-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107194;MM107194;C=CCC(O)CCN;JHRHOJSZAUBHLY-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107195;MM107195;C=CCC(O)CCO;OZOKKOWYBNSFPC-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107196;MM107196;N#CCC(O)CCO;QSDCNOAJMHCYBM-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107197;MM107197;C=CCC(F)CCC;HZZZPFOZXSXPDD-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107198;MM107198;CCCC(F)CC=O;UWOXVQOEWFLIHD-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107199;MM107199;CCCC(F)CC#N;UIIFFLWHUDNZFB-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107200;MM107200;C=CCC(F)CCN;KFZNKXZDMQYVEA-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107201;MM107201;C=CCC(F)CCO;WTWBHUAMQXBYRP-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107202;MM107202;C=CCC(F)CCF;DCUBMSDHZSASCT-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107203;MM107203;O=CCC(F)CCF;DCRVSVNUPOBFCB-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107204;MM107204;N#CCC(F)CCF;DMPRLSMAEMEASR-UHFFFAOYSA-N;119.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107205;MM107205;C=CCC(C)CNC;UIZWJNKLAITYAB-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107206;MM107206;C=CCC(O)CNC;BLFSLCPYDJJKAN-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107207;MM107207;CNCC(O)CC#N;NPJZGNFGBMXLGQ-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107208;MM107208;C=CCC(F)CNC;YYVGVAKVJFRSOF-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107209;MM107209;C=CCC(C)COC;KUXXWIFRRKXLHI-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107210;MM107210;COCC(C)CC=O;PFBMMTKOGIPLTC-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107211;MM107211;COCC(O)CC=O;BMTKRNYDMLXWSR-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107212;MM107212;CCCC(C)NC=N;HDMPGGHNTLAMJP-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107213;MM107213;CCC#CCC(=NO)NC;GSOZPAPZKNQDNE-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107214;MM107214;CC(CCN)NC=N;PXRBGOJIKCYVGI-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107215;MM107215;CC(CCN)NC=O;VUYGKVNKEMCEDE-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107216;MM107216;CC(CCO)NC=N;NCMKECDOZMESKE-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107217;MM107217;CC(CCO)NC=O;LXCIOBXVXIWRPU-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107218;MM107218;CNCC(C)NC=N;JDZVKXKBZNWOLR-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107219;MM107219;C=COC(C)CCC;QJGHRYRSEQRPSL-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107220;MM107220;CCCC(C)OC=O;JNRQSKFTIYCDIP-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107221;MM107221;C=COC(C)CCO;JCCTZPZBHFQNIF-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107222;MM107222;C=NOC(C)CCC;WXXBUSHRUSBPJV-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107223;MM107223;C=NOC(C)CCF;OECFCYNZUQQPQQ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107224;MM107224;C=NOC(C)CNC;QTZYVZQJBCHHRS-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107225;MM107225;C=COC(C)COC;QUMBYNOKZMNRAJ-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107226;MM107226;C=CCC(C)NCC;CUSHHIZTNAOHMT-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107227;MM107227;CCNC(C)CC=O;QSCKUXVJSIOXAL-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107228;MM107228;C=CCC(C)OCC;BLTLIJCWPJOFLQ-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107229;MM107229;CCOC(C)CC=O;AHXNKQZOAALZOU-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107230;MM107230;CCOC(C)CC#N;QOCOLVSLFJXIMD-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107231;MM107231;C=COC(C)OCC;UAYCAARGGQRWMQ-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107232;MM107232;C=NOC(C)OCC;DJUNJAIRZMBPJC-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107233;MM107233;C=CCN(C)CCC;NSKNMDGQMSZLNE-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107234;MM107234;CCCN(C)CC#N;SGGFBBZDYKCDSE-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107235;MM107235;CONC(=O)N(C)C=N;XIZBJSTYQTXINM-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107236;MM107236;CN(CC#N)CCF;PSGVWSKMUHARJN-UHFFFAOYSA-N;116.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107237;MM107237;CCCN(C)NC=N;BNKLEHDBHBIPJT-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107238;MM107238;CC(=CF)N(N)C=NO;FCUDMUOEOVMEFB-UHFFFAOYSA-N;133.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107239;MM107239;CN(CCN)NC=N;UJYFKIBNCFSWRT-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107240;MM107240;CN(CCN)NC=O;IKNWJLGBCDKDGP-UHFFFAOYSA-N;117.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107241;MM107241;CN(CCO)NC=N;DOLWNAUAYNRIOA-UHFFFAOYSA-N;117.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107242;MM107242;CN(CCO)NC=O;HUHZOECGXRJEIZ-UHFFFAOYSA-N;118.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107243;MM107243;CN(CCF)NC=O;MIUPHKHGSMTYCE-UHFFFAOYSA-N;120.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107244;MM107244;C#CCC(C)CCN;PMXZFHXIKGDVJJ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107245;MM107245;Cn1c(N)nc(O)c1O;FLGDACHNDDPRRT-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107246;MM107246;C#CCC(C)CCF;WMCAAWQQXPMVPG-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107247;MM107247;C#CCC(N)CCC;RMFXGPHYQMQYPH-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107248;MM107248;C#CCC(N)CCF;JUJNFANNZXPNGO-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107249;MM107249;C#CCC(F)CCC;XVISQYJPTRIDRM-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107250;MM107250;C#CCC(F)CCN;DFEWLABMJGQKTP-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107251;MM107251;C#CCC(F)CCO;UFLOMFUJUKOMLA-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107252;MM107252;C#CCC(N)CNC;KTPXNHVTUGNCBV-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107253;MM107253;C#CCC(C)COC;WIFAOWOUWDHNQT-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107254;MM107254;C#CCC(C)NCC;TZUYHASGLFKWGQ-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107255;MM107255;C#CCC(C)OCC;GGYQQBXVDDVDKV-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107256;MM107256;C#CCN(C)CCC;LMMHXOHVCPOLFQ-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107257;MM107257;C#CCN(C)CCN;KSQZCIPXWCPPJX-UHFFFAOYSA-N;112.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107258;MM107258;C=CCC(C)CC#N;HKQCERCMINHAQG-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107259;MM107259;CC(CC=O)CC=O;LUNMJPAJHJAGIS-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107260;MM107260;CC(CC#N)CC=O;RHBJAKTTWWCQLB-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107261;MM107261;C=CCC(N)CC=C;NQOGMRGPEFZPDM-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107262;MM107262;C=NN=C(NN)NC(C)=O;SBJXBJBHZGECCQ-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107263;MM107263;O=CCC(O)CC=O;UIVALZXFWDRKKE-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107264;MM107264;N#CCC(O)CC=O;VMSZSNBQYCEZFC-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107265;MM107265;C=CCC(F)CC=C;NOXCKQGOZGEDRV-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107266;MM107266;C=CCC(F)CC=O;FCOXZRIDFYOIBY-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107267;MM107267;C=CCC(C)NC=N;XECJBDUKACHAAP-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107268;MM107268;NC(CC1(C=O)CO1)=NO;GWKBKYGZGHOCFH-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107269;MM107269;CC(CC=O)NC=O;RRZUTPNENBPLCO-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107270;MM107270;N=C(NC=NO)C(F)=CN;GPOCIUUBQUMWCU-UHFFFAOYSA-N;146.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107271;MM107271;C=CCC(C)OC=C;MHNIRELWCDLTHW-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107272;MM107272;C=CCC(C)OC=O;XIGDAVSOSXWGHK-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107273;MM107273;C=COC(C)CC#N;PATMSQXVPGCTDU-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107274;MM107274;CC(CC#N)OC=O;CLTGQDKLPPYDKV-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107275;MM107275;C=CCC(C)ON=C;JSLPAOHMZCOIRO-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107276;MM107276;C=NOC(C)CC#N;CDUZJTMGUWDUHN-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107277;MM107277;C=COC(C)OC=O;JQDLWBRXQJKWLY-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107278;MM107278;C=COC(C)ON=C;YIIONQKAAYHDGQ-UHFFFAOYSA-N;115.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107279;MM107279;C=CCN(C)CC=C;WGESLFUSXZBFQF-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107280;MM107280;C=CCN(C)CC#N;LSKRHZVCYHWXAD-UHFFFAOYSA-N;110.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107281;MM107281;CN(CC#N)CC#N;ODHFXNCHFIWUCX-UHFFFAOYSA-N;109.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107282;MM107282;C=CCN(C)NC=N;YCVNLUVMGJQNJF-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107283;MM107283;CN(CC=O)N=CN;JEFSDUMMGSNQPB-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107284;MM107284;CN(CC#N)NC=N;VTRJKEVCMSEKSN-UHFFFAOYSA-N;112.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107285;MM107285;CN(CC=O)NC=O;GUWGLRFZUOVUDG-UHFFFAOYSA-N;116.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107286;MM107286;C#CCC(C)CC=C;OZGQVVPKHZSQRK-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107287;MM107287;C#CCC(C)CC#N;KQCJQAYOGOHYDM-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107288;MM107288;N#CC(NC=O)C(=N)NO;JRBWVJJEVNZOQG-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107289;MM107289;C#CCC(F)CC=C;IPMBDAYZWKXKFW-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107290;MM107290;C#CCC(F)CC=O;JYHHZRXOBBRATM-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107291;MM107291;C#CCC(F)CC#N;IVGCHMWSMRDLBF-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107292;MM107292;C#CCC(C)OC=C;IPKYBZWJAKIENH-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107293;MM107293;C#CCC(C)OC=O;ZUVKLAZPTFGKIM-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107294;MM107294;C#CCC(C)ON=C;OLMPJTXDFHMLQC-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107295;MM107295;C#CCN(C)NC=N;NUMYXMDIWYIRSD-UHFFFAOYSA-N;111.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107296;MM107296;C#CCN(C)NC=O;FVPVPAKDYTVJOS-UHFFFAOYSA-N;112.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107297;MM107297;C#CCC(C)CC#C;ZIDIYUKFKSHSNN-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107298;MM107298;C=C(CCC)CCN;DCGIZMAPFZFJEA-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107299;MM107299;C=C(C)C(=NO)N(O)C=N;ZLUISOBBXXYATR-UHFFFAOYSA-N;143.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107300;MM107300;C=C(CCC)CCF;ZZZRRAYFEOZFAM-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107301;MM107301;N#CCC#CC(=O)C1CN1;LLMOIGCMKGTERN-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107302;MM107302;C=C(CCF)CCF;GPWISDBSGNADCW-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107303;MM107303;CCCC(=O)CCC;HCFAJYNVAYBARA-UHFFFAOYSA-N;114.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107304;MM107304;CCCC(=O)CCO;ITHSWIXXHGKFJW-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107305;MM107305;CCCC(=O)CCF;XFHLJPNWVPBXPV-UHFFFAOYSA-N;118.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107306;MM107306;O=C(CCO)CCO;DEOWHQAFPBKSMV-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107307;MM107307;O=C(CCO)CCF;PRGNETWYQDUSDU-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107308;MM107308;C=C(CCC)CNC;CEPNYQBRILNXFF-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107309;MM107309;CNCC(=O)CCF;MNSDQFFJIBXPAS-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107310;MM107310;C=C(CCC)COC;CVTWIFJDZCUMSC-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107311;MM107311;CCCC(=O)COC;ZAMFXGFUMGUHHU-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107312;MM107312;COCC(=O)CCO;QCFAKHLHUOCQQV-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107313;MM107313;CCCC(=N)NCC;ATKQGJCZCTVLNR-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107314;MM107314;CCNC(=N)CCN;JEZBYYXZQCEADM-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107315;MM107315;CCNC(=N)CCO;HINWOAGFVPMNQL-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107316;MM107316;CNc1nc(O)c[nH]1;UQKYMWMAYLIHDY-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107317;MM107317;CCNC(=O)CCN;QIMPNVVLHJIZGN-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107318;MM107318;CCNC(=O)CCO;SVLZREHLAYHYRT-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107319;MM107319;CCCC(=N)NNC;DTNNMCKFJDZFBA-UHFFFAOYSA-N;115.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107320;MM107320;CNNC(=N)CCN;UOKQVSQPSFQHKL-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107321;MM107321;CCNc1nc(O)c[nH]1;UMCFRBYACGMIIN-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107322;MM107322;CNNC(=O)CCN;MRNQWOCKEWTGOC-UHFFFAOYSA-N;117.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107323;MM107323;CONC(=NN)NC(C)=O;VQDZWJQLTZAVNO-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107324;MM107324;CCCC(=N)NOC;OSLPERSPPKAQKO-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107325;MM107325;CONC(=N)CCN;YANOLGSUNYTRNK-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107326;MM107326;CONC(=N)CCF;ZYSDCAKUVVMSLO-UHFFFAOYSA-N;120.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107327;MM107327;CONC(=O)CCN;TXDBDBSTXWITQA-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107328;MM107328;CONC(=O)CCO;PHETVONCNZQWMH-UHFFFAOYSA-N;119.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107329;MM107329;CCNC(=N)CNC;MGQBFOHZZNRLJO-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107330;MM107330;CCNC(=O)CNC;UFCBSRMTKKKHRE-UHFFFAOYSA-N;116.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107331;MM107331;CNCC(=O)NNC;SBPXWVVFBCOYEQ-UHFFFAOYSA-N;117.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107332;MM107332;CNNC(=N)COC;RIESQFVOJZKDKC-UHFFFAOYSA-N;117.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107333;MM107333;C=C(CCC)OCC;GMUDRBHPZNOVLS-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107334;MM107334;C=C(CCN)OCC;OAXIRMDVPSZKCO-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107335;MM107335;C=C(CCO)OCC;ROYVNJCKSGTJEZ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107336;MM107336;CCCC(=O)OCC;OBNCKNCVKJNDBV-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107337;MM107337;CCOC(=O)CCN;GSQBIOQCECCMOQ-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107338;MM107338;CCOC(=O)CCF;HGWFSORGJISSEQ-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107339;MM107339;C=C(CNC)OCC;LRAHCIWXWUDMPV-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107340;MM107340;C=C(COC)OCC;NLMBCCPYADCWLC-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107341;MM107341;CCNC(=N)NOC;DCQNFVMNHJGEKU-UHFFFAOYSA-N;117.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107342;MM107342;CCNC(=O)NOC;HJZMUYWNQSDNBA-UHFFFAOYSA-N;118.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107343;MM107343;CNNC(=N)NNC;NDDITRZWTHAVLP-UHFFFAOYSA-N;117.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107344;MM107344;CCNC(=N)OCC;VWLOUOQMIKBCRU-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107345;MM107345;C=CCC(=C)CCC;QZLIBACUUHYHAH-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107346;MM107346;C=C(CC=O)CCC;WWCCHKGCSFPMRV-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107347;MM107347;C=C(CC#N)CCC;BZWPEWTUGVMKKW-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107348;MM107348;C=CCC(=C)CCN;RFZRMUCZAHTDRW-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107349;MM107349;CNN=C(NO)NC(C)=O;NGOACGGEWUEKGS-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107350;MM107350;C=CCC(=C)CCF;OUVWNJOCBXEVIG-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107351;MM107351;C=C(CC=O)CCF;FPPCICJAFQSQPQ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107352;MM107352;C=C(CC#N)CCF;MHHRIXRDPIPMNA-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107353;MM107353;C=CCC(=O)CCC;SILICPHIUHBJGQ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107354;MM107354;CCCC(=O)CC#N;FKRWZYAOIGUMNA-UHFFFAOYSA-N;111.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107355;MM107355;N#CCC(=O)CCO;GNHODOMNUAXUQV-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107356;MM107356;C=CCC(=O)CCF;YTWJVZWXWJERMK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107357;MM107357;C=CCC(=C)COC;JOIOKYPQCLCSOF-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107358;MM107358;C=C(CCC)NC=N;LBBHIDMPOICYCV-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107359;MM107359;C=C(CCC)NC=O;PUWDWVGRVJYNIX-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107360;MM107360;C=C(CCN)NC=N;MGKIUXWRWNXYMI-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107361;MM107361;C=C(CCN)NC=O;KRYHLUGQCGASKY-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107362;MM107362;C=CNC(=N)CCC;CWMYNUCGAHBBKG-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107363;MM107363;NC(=O)NC(=NC=O)NO;DDINEKFUYUJKAA-UHFFFAOYSA-N;146.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107364;MM107364;C=CNC(=N)CCN;QKKIACSUEYWFTB-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107365;MM107365;N=CNC(=N)CCN;IBMUNGSANCYPJN-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107366;MM107366;C=CNC(=N)CCO;UTPSARMZDWXBLA-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107367;MM107367;N=CNC(=N)CCO;SUTAUMGVEVODFS-UHFFFAOYSA-N;115.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107368;MM107368;CC(C=NO)=CNCCF;MEGLBUFXHFTDRW-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107369;MM107369;N#CC1(O)C=NN(C=N)C1;FYOWTSXBLQCQIB-UHFFFAOYSA-N;138.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107370;MM107370;C=CNC(=O)CCC;HAZULKRCTMKQAS-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107371;MM107371;CC(CC(=NO)NN)=NN;JUHZSLMZKFOEAV-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107372;MM107372;CCCC(=O)NC=O;YMFONJSGPAJQCP-UHFFFAOYSA-N;115.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107373;MM107373;C=CNC(=O)CCN;QNOQBLFCDJKOAD-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107374;MM107374;N=CNC(=O)CCN;SYCOOAHOMIPEET-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107375;MM107375;NCCC(=O)NC=O;CNTYAYRNBAHWCM-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107376;MM107376;C=CNC(=O)CCO;LUSVJBJGRZQXHB-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107377;MM107377;CC(C#N)C(=N)NC=NO;PGDHWMDXUZFMDF-UHFFFAOYSA-N;140.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107378;MM107378;O=CNC(=O)CCO;KQBHLDOPRMFKEF-UHFFFAOYSA-N;117.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107379;MM107379;Nc1c(O)c(=O)ncn1N;IVFQVBGGEMXQIF-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107380;MM107380;C=NNC(=O)CCN;VCSMTGJHCACNMT-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107381;MM107381;C=C(CNC)NC=N;BTYAPYXFDUEDFZ-UHFFFAOYSA-N;113.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107382;MM107382;C=C(CNC)NC=O;JCLGRFNOTNZWTK-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107383;MM107383;C=CNC(=N)CNC;UVOKUPNYHCSPFN-UHFFFAOYSA-N;113.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107384;MM107384;CNCC(=N)NC=N;CZJKIRVDAAQMME-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107385;MM107385;C=CNC(=O)CNC;FZJKPXNPAPVHTN-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107386;MM107386;CNCC(=O)NC=N;KESZCRSSPNTZHF-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107387;MM107387;CNCC(=O)NC=O;SYQAWBDOMZLQHD-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107388;MM107388;COCC(=N)NC=O;VIGCLKATPZSKQW-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107389;MM107389;C=CNC(=O)COC;XTCQONKMXWPSDZ-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107390;MM107390;CC(=O)NC(=NN)NO;CRUQOLAEORCKSO-UHFFFAOYSA-N;132.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107391;MM107391;C=COC(=C)CCC;XMKBIQTUSWOTME-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107392;MM107392;C=C(CCC)OC=O;DOWJWQVKDVYUQF-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107393;MM107393;C=COC(=C)CCO;ZWRBTGAUTJODEW-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107394;MM107394;C=COC(=C)CCF;WIKXGCPWSUEZMK-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107395;MM107395;C=C(CCF)OC=O;OFJAEEOHANLFPD-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107396;MM107396;C=COC(=O)CCC;MEGHWIAOTJPCHQ-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107397;MM107397;C=COC(=O)CCO;QAOPGXKKOUPBDJ-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107398;MM107398;C=COC(=O)CCF;HOGMNCXJCZIVDU-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107399;MM107399;C=NOC(=O)CCC;NRVKPNKMLBAKPW-UHFFFAOYSA-N;115.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107400;MM107400;C=NOC(=O)CCN;YBCINDLYYQKNCR-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107401;MM107401;C=COC(=C)CNC;ZRQCRSQMOFQBIP-UHFFFAOYSA-N;113.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107402;MM107402;C=NOC(=O)CNC;MSRIZCZZUBLYBZ-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107403;MM107403;C=COC(=C)COC;HYZFGFNOYROESA-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107404;MM107404;C=CCC(=N)NCC;VFIQJCVRSLIGSJ-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107405;MM107405;C=CCC(=O)NCC;CLKWDKNFSIUIHF-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107406;MM107406;CCNC(=O)CC=O;CNSQBBYLYQXGGP-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107407;MM107407;CCNC(=O)CC#N;VARXTXAOJGBDDV-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107408;MM107408;CNNC(=O)C=C(F)C#N;QYNODQBJDWMGBA-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107409;MM107409;CNNC(=O)CC=O;WBGRFULBLUCKIS-UHFFFAOYSA-N;116.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107410;MM107410;C=CCC(=N)NOC;TWCCFYSBUMSVHU-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107411;MM107411;C=C1C(C=O)=NOC1C#N;DEDQBRFFVNODNX-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107412;MM107412;C=CNC(=O)NCC;LIOYFPXDFZHOGN-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107413;MM107413;CCNC(=O)NC=O;ZYCUSEVNSAOQPQ-UHFFFAOYSA-N;116.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107414;MM107414;CNNC(=N)NC=O;KZFAYWKSIPQUEM-UHFFFAOYSA-N;116.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107415;MM107415;C=NNCCC(C)C=NO;WUNGWYUVPKBFGK-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107416;MM107416;C=C(F)C(=C)N(N)C=NO;PGKGPBCVICEELC-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107417;MM107417;C=NNC(=N)NNC;WGIWTGCBPBMKNS-UHFFFAOYSA-N;115.14;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107418;MM107418;C=C(F)C(=N)N(C)C=NO;HTOMFHNMELLNKP-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107419;MM107419;C=CNC(=O)NOC;GYTQIZAVFHMCCY-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107420;MM107420;C=CC1(O)CNC(=NO)C1;REPNAJRZHHWMMC-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107421;MM107421;C#CCOC(=N)NC=NO;RXRIMNAADHLKBY-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107422;MM107422;C=CCC(=C)OCC;KRBJDIGYNRPZNN-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107423;MM107423;C=C(CC#N)OCC;FWQFIPPLWDAIED-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107424;MM107424;C=CCC(=O)OCC;BFMKFCLXZSUVPI-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107425;MM107425;C=C(NC=N)OCC;OPUXZBFJYVFPFJ-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107426;MM107426;CCOC(=N)NC=O;WTSVHSVDHXMNPJ-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107427;MM107427;CCOC(=O)NC=N;SGFZRSDQHCXTKO-UHFFFAOYSA-N;116.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107428;MM107428;CCOC(=O)NC=O;FOIOWCBPOAJVPZ-UHFFFAOYSA-N;117.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107429;MM107429;C=COC(=O)OCC;BPFOYPDHLJUICH-UHFFFAOYSA-N;116.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107430;MM107430;C#CCC(=C)CCN;OWXCZNMEORPDFC-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107431;MM107431;C#CCC(=C)CCF;FYMPAPZOSJHQMC-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107432;MM107432;C#CCC(=O)CCC;KLGAKYODHJCPDO-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107433;MM107433;C#CCC(=O)CCF;PGMIGEPMOWDGOB-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107434;MM107434;C#CCC(=C)COC;OIJFGOMMTQNHIT-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107435;MM107435;C#CCC(=N)NCC;PSQGAQONJXGQCF-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107436;MM107436;C#CCC(=O)NCC;GKEZZLRHNYHVPV-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107437;MM107437;C#CCC(=N)NNC;JGUJKERPMSIEJL-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107438;MM107438;CC(=NO)N(C=N)C=NN;QZAGLUWNSYCZGV-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107439;MM107439;C=C1C(C#N)=NNC1C#N;WWIWRKCAOXUKPJ-UHFFFAOYSA-N;132.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107440;MM107440;C#CCC(=C)OCC;AOGRGZPFKPIVKI-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107441;MM107441;C#CCC(=O)OCC;YUIKUBSCWKOQKS-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107442;MM107442;C=CCC(=C)NC=N;LHRKLIWARNOSPJ-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107443;MM107443;C=CCC(=C)NC=O;SWIMTEPPBUKVSD-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107444;MM107444;C=C(CC=O)NC=N;MGFBRMNNLRMLOU-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107445;MM107445;C=CNC(=N)CC=O;CVBWMSBYYOPILR-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107446;MM107446;N=CNC(=N)CC=O;RDGPQKMPHAOEHM-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107447;MM107447;N#CCC(=N)NC=O;OYOZPVXNGDCIAS-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107448;MM107448;C=CNC(=O)CC=O;IYTLLZHAFZJBDU-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107449;MM107449;N=CNC(=O)CC=O;QIHRGDJFFXUGRQ-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107450;MM107450;N#CCC(=O)NC=N;ZPAIUBXAIDSDJF-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107451;MM107451;C=CCC(=C)OC=C;ARLPGWKTESVDCS-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107452;MM107452;C=CCC(=C)OC=O;UGQLQLBOGAGFCX-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107453;MM107453;C=COC(=C)CC#N;XRACNTIWYMKMEV-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107454;MM107454;C=C(CC=O)OC=O;QIDDRNBQMSKPGJ-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107455;MM107455;C=C(CC#N)OC=O;NONOVJRMIFUXCX-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107456;MM107456;C=CCC(=O)OC=C;PROZFBRPPCAADD-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107457;MM107457;C=COC(=O)CC#N;ANTNQGGUTAZUIC-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107458;MM107458;C=CCC(=O)ON=C;ALYOZQHTLRPPEP-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107459;MM107459;C=NOC(=O)CC=O;SYHIVKZWXGMRLV-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107460;MM107460;C=CNC(=N)NC=N;XMPUGBCYLYQLTE-UHFFFAOYSA-N;112.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107461;MM107461;C=CNC(=N)NC=O;GEXTXUCELXZSGK-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107462;MM107462;C=CN(O)C(=NN)NC=O;XAZQHISYXJVMDG-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107463;MM107463;CCC#CC(C=CN)=NO;DJRTUYJCMWLWQV-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107464;MM107464;C=COC(=O)OC=C;PACOTQGTEZMTOT-UHFFFAOYSA-N;114.1;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107465;MM107465;C=COC(=O)ON=C;MSHTUBWEDIRFNO-UHFFFAOYSA-N;115.09;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107466;MM107466;C#CCC(=O)CC=C;JKISLLUEBAYLSU-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107467;MM107467;C#CCC(=N)NC=N;BBBRCHGQZFNGQZ-UHFFFAOYSA-N;109.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107468;MM107468;CC(=NO)C(CO)=C(C)N;KKLYPHSAMOKNIA-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107469;MM107469;CCN=C1COC(=NO)N1;NDDWDPJRZNBNHB-UHFFFAOYSA-N;143.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107470;MM107470;C#CCC(=O)NC=O;VSWRTZHNKRJVHQ-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107471;MM107471;C#CCC(=C)OC=C;MQEMIVYHAPTYMX-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107472;MM107472;C#CCC(=C)OC=O;BDQOZJKOOYFCQY-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107473;MM107473;C#CCC(=O)OC=C;XHOPCMPWIBSEHO-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107474;MM107474;C#CCC(=O)CC#C;UONLQSKINPCMDF-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107475;MM107475;CC=CC(C)CCC;SVGLFIBXFVQUQY-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107476;MM107476;CCCC(C)C=CF;UGGUZTAEHMQMBN-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107477;MM107477;CC=CC(C)CCN;ZHICPTJYRRARQF-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107478;MM107478;O=CC12CC(=NO)NC1C2;IACFDUCVJPVANT-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107479;MM107479;C=Cc1cnc(NC)n1O;FQFWYFATOFZKAU-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107480;MM107480;CC=CC(C)CCF;JCSNUAVMWDRWCB-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107481;MM107481;CC(C=CF)CCF;WRZFJDDGOWQWDS-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107482;MM107482;CC=CC(N)CCC;NKTOFUYNQFHPDF-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107483;MM107483;CCCC(N)C=CF;OXEWEKSATNPFGB-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107484;MM107484;CC=CC(N)CCN;QKQBBWHPVSGTQJ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107485;MM107485;NCCC(N)C=CF;SUFMHRMPQOLAOV-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107486;MM107486;CC=CC(N)CCF;XOPGSIRTSPKQJK-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107487;MM107487;Nc1nc(O)c[nH]1;AEGRGDYHZFLAGY-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107488;MM107488;NCCC(O)C=CF;ILQHPWACIOYHHP-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107489;MM107489;CC=CC(O)CCO;FQDAWMOREQTSAD-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107490;MM107490;OCCC(O)C=CF;CYTWTOQABVKVSW-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107491;MM107491;CC=CC(O)CCF;RICMESWKLISMHY-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107492;MM107492;CC=CC(F)CCC;GUKHREIAYLBMRE-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107493;MM107493;CCCC(F)C=CF;FPLRSPKKWXRKKZ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107494;MM107494;CC=CC(F)CCN;HCYPLEHMEDIJFU-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107495;MM107495;CC=CC(F)CCO;GNLYCZLGRABDGO-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107496;MM107496;CC=CC(F)CCF;QKVOWKDHIROOGS-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107497;MM107497;FC=CC(F)CCF;HIPBJYBPGSSOKB-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107498;MM107498;CCCC(C)C=NN;DXTDTUNNRODZJF-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107499;MM107499;CCCC(C)C=NO;MLVABGYALZSLBW-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107500;MM107500;CC(C=NN)CCF;KMTVWMKKKCRPDS-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107501;MM107501;CC(C=NO)CCF;HHCYHROJGWUFHV-UHFFFAOYSA-N;119.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107502;MM107502;N=C(CF)NC=NO;UAKDGRLXLSYUAX-UHFFFAOYSA-N;119.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107503;MM107503;CCCC(F)C=NN;IYJXWLCDFCNLAG-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107504;MM107504;CC=CC(C)CNC;ZJVLWIGTGKULRH-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107505;MM107505;CNCC(C)C=CF;XQGORFFKPYUQIP-UHFFFAOYSA-N;117.17;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107506;MM107506;CNCC(N)C=CF;OQVHIHLYLQTMFO-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107507;MM107507;CC=CC(F)CNC;SHFOGZVVPVOXOT-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107508;MM107508;CNCC(O)C=NN;GEXHOSGJMSSIPP-UHFFFAOYSA-N;117.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107509;MM107509;CC=CC(C)COC;HPGGVYXCLMCULQ-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107510;MM107510;COCC(C)C=CF;RHEVPQMBKBHKLU-UHFFFAOYSA-N;118.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107511;MM107511;CC=CC(F)COC;PXCAHNLLRRFEGP-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107512;MM107512;COCC(F)C=CF;RCENWAVVKIFOJC-UHFFFAOYSA-N;122.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107513;MM107513;NC(=CC=NO)CO;PMDPDHBCCBYLTA-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107514;MM107514;CC=CC(C)NCC;VBZJDXQLWUBZQF-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107515;MM107515;CCNC(C)C=CF;XSPOJTMMIGWPDF-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107516;MM107516;CCNC(C)C=NO;KUXMZDFIXDHOPE-UHFFFAOYSA-N;116.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107517;MM107517;CC=CC(C)OCC;BYJBMSFNGTZOOY-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107518;MM107518;CCOC(C)C=CF;PLPIVAXVPHXDAQ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107519;MM107519;CCOC(C)C=NN;OOWIORGAXYVZLG-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107520;MM107520;CCOC(C)C=NO;AYRWWDPIWAPLFI-UHFFFAOYSA-N;117.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107521;MM107521;CCCN(C)C=NC;HKLCADYGMZDJKD-UHFFFAOYSA-N;114.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107522;MM107522;CN=CN(C)CCN;XPPSZUYFLALCID-UHFFFAOYSA-N;115.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107523;MM107523;CN=CN(C)CCO;HVJDHWHBWDCUPK-UHFFFAOYSA-N;116.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107524;MM107524;CN(C=NN)CCO;JJBVCIZUXONIDE-UHFFFAOYSA-N;117.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107525;MM107525;NC(CNCC=O)=NO;MWIKMFFBVXZGMD-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107526;MM107526;CN=CN(C)CCF;NLULPWHWUPBXJH-UHFFFAOYSA-N;118.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107527;MM107527;CCc1nc(O)c(C)[nH]1;MKJKMINCWYQXLP-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107528;MM107528;C=C(F)C(=O)NNCCC;WCOINLQVMGDTIW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107529;MM107529;CN=CN(N)CCO;BLVZMYLKRRQWMB-UHFFFAOYSA-N;117.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107530;MM107530;CCCc1nc(O)c(C)[nH]1;UOGSMXQSENKYFU-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107531;MM107531;N=C(NO)C(C=NN)=NO;BEUZDJPZQWRZRW-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107532;MM107532;CC#Cc1ncc(CO)[nH]1;YOPKAWRGXUKJHB-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107533;MM107533;OCCN(O)C=NO;KMVYQRVFPFTXHO-UHFFFAOYSA-N;120.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107534;MM107534;C=CC1=NCC(=NO)ON1;FUVCBQVQSZAFCK-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107535;MM107535;ON=CN(O)CCF;KNHOWLXMUITQDZ-UHFFFAOYSA-N;122.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107536;MM107536;CC=NN(C)CCC;YHBCPHIYIRMCTK-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107537;MM107537;C=CCC(C)C=CC;ITKKJSFRRSLPHX-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107538;MM107538;C=CCC(C)C=CF;IXGOPWPKIROXEC-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107539;MM107539;CC=CC(C)CC=O;SFHNIEDUPNZZLF-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107540;MM107540;CC(C=CF)CC#N;JTVZCVWXKOKISM-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107541;MM107541;C=CCC(N)C=CC;SCFSKUUYBLGKRW-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107542;MM107542;O=CC12CNC(=NO)C1C2;KHKIPYQXJVWSSV-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107543;MM107543;C=CCC(O)C=CF;XNTSBQPILPPBPL-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107544;MM107544;C=CCC(F)C=CC;IIJQDYLEOQTRIQ-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107545;MM107545;C=CCC(F)C=CF;HTPHRIKGEQQYJW-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107546;MM107546;CC=CC(F)CC=O;VVZBTZOMWYPRAL-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107547;MM107547;CC=CC(F)CC#N;OCQPCSVPPYNARF-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107548;MM107548;N#CCC(F)C=CF;DVCFXQOTSUPWTN-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107549;MM107549;C=CCC(C)C=NN;IJBLHIWUSAIJEP-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107550;MM107550;C=CCC(C)C=NO;GNWSZSUJZNOCFZ-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107551;MM107551;C=CCC(N)C=NO;LYDWOEZLTMILSZ-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107552;MM107552;C=CCC(F)C=NN;HKANUQLYMZMBIP-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107553;MM107553;CC=CC(C)NC=N;VWYMCGAJXQLFDW-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107554;MM107554;ON=CNCC=C(F)F;QLVMDUOFFBGOAG-UHFFFAOYSA-N;136.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107555;MM107555;CC(C=NN)NC=N;DLQJYFYVYGLMCQ-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107556;MM107556;CC(C=NO)NC=N;RXXVRPMTBPTSGW-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107557;MM107557;CN=C1NC(=O)C(C)N1;DBUZGNOYTMLRTK-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107558;MM107558;CC(C=NO)NC=O;SCEZAJFRRIATPX-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107559;MM107559;C=COC(C)C=CC;PJJJSPBDXSGONK-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107560;MM107560;C=COC(C)C=CF;LIINWZRPSBLLFM-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107561;MM107561;CC=CC(C)OC=O;LRULVWVMWUZUFZ-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107562;MM107562;CC(C=CF)OC=O;CMYNIZYWSLLDHH-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107563;MM107563;C=COC(C)C=NN;GMOAUTWJQAGRLF-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107564;MM107564;C=NOC(C)C=CC;QMYDADJZLBCCJX-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107565;MM107565;C=NOC(C)C=CF;NLZQWPAQRMBGHM-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107566;MM107566;C=CCN(C)C=NN;WYFJUKNHLHKDTF-UHFFFAOYSA-N;113.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107567;MM107567;CN=CN(C)CC#N;KTZLSQPTAKTSRI-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107568;MM107568;CNNC(=O)N=CN(C)C;TXXYEMRTILYSSO-UHFFFAOYSA-N;144.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107569;MM107569;CC(=NO)NC(=O)NC=N;MIEODUNVCWKMQL-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107570;MM107570;O=CCN(O)C=NO;RTNSNTKPSWXISE-UHFFFAOYSA-N;118.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107571;MM107571;C=CCN(C)N=CC;BKVHGOMCRAPUDE-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107572;MM107572;CN(C=NN)NC=N;VWZAEJRRZBCOBC-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107573;MM107573;CN(C=NO)NC=N;GKLHUTZEZJDXTR-UHFFFAOYSA-N;116.12;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107574;MM107574;CN=CN(C)NC=O;XBNKRRCDPGELRR-UHFFFAOYSA-N;115.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107575;MM107575;C=NNC(=NN)NC(C)=O;SBJXBJBHZGECCQ-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107576;MM107576;CN(C=NO)NC=O;KWGXZZKRIPSGOE-UHFFFAOYSA-N;117.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107577;MM107577;C#CCC(C)C=CF;RNRFLVUYAKZJBK-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107578;MM107578;C#CCC(N)C=CC;VRWYBYZHSHYGTC-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107579;MM107579;C#CCC(N)C=CF;KOTRTHUKEXEPPM-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107580;MM107580;C=CNC(CC=NN)=NO;DERZGQYQJYLIAO-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107581;MM107581;C#CCC(F)C=CC;AMBXIXVYAJXTMI-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107582;MM107582;C#CCC(F)C=CF;YJQAVQZVFUFICN-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107583;MM107583;C#CCC(C)C=NN;WSMJXPLTMMYPSY-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107584;MM107584;C#CCN(C)C=NC;FNLBATUGSHFDFE-UHFFFAOYSA-N;110.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107585;MM107585;C=NN=C(NO)NC=NO;KLDBCUABHRZTAJ-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107586;MM107586;CC1(F)C2NC(=NO)NC21;SCNHYMQLEPDQNK-UHFFFAOYSA-N;145.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107587;MM107587;C=C(C=CF)CCC;HUJWEBOQQLEKSN-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107588;MM107588;C=C(C=CC)CCN;KVAJBWVSDYRKEQ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107589;MM107589;C=C(C=CF)CCN;BVRDJOGFIWHCCO-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107590;MM107590;CN=CN(O)C(=NO)NO;IYJHEOGJQMMWBR-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107591;MM107591;Cn1nnc(=NN)[nH]c1=N;BTLLACPIJKDLJF-UHFFFAOYSA-N;141.14;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107592;MM107592;C=C(C=CC)CCF;ODENJYUAIPGXPF-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107593;MM107593;C=C(C=CF)CCF;SNNHRQZKWLBYPH-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107594;MM107594;CC=CC(=O)CCC;TXVAOITYBBWKMG-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107595;MM107595;CCCC(=O)C=CN;QEGUKQXXTWMZNU-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107596;MM107596;CCCC(=O)C=CF;YCIXFYARHKHCAU-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107597;MM107597;O=C(C=CF)CCO;SCUGEOFNKZWICN-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107598;MM107598;CC=CC(=O)CCF;LCTHRQDDUBBTEX-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107599;MM107599;NC=CC(=O)CCF;PBWFGIQDOJTLKK-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107600;MM107600;C=C(C=NN)CCC;IHUQRUNBFQPWSY-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107601;MM107601;C#CCN1C=NC(=NO)C1;PNQSCHTUGODCML-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107602;MM107602;C=C(C=NN)CCF;GWMAWUZDKWJSRP-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107603;MM107603;C=C(C=NO)CCF;LOFBEUPRBMZKED-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107604;MM107604;CCCC(=O)C=NO;UVJDVGWLIBOWQP-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107605;MM107605;CNCC(=O)C=CN;SHVWPUXTPXKTNI-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107606;MM107606;C=C(C=CC)COC;HWUOSBCNFNZCNW-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107607;MM107607;C=C(C=CF)COC;IPRFTYILMMKIFD-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107608;MM107608;COCC(=O)C=CN;JDNVBEYSBHRQRK-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107609;MM107609;CC=CC(=N)NCC;MFQHSRYQTKBCAI-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107610;MM107610;CCNC(=N)C=CN;NSTUOTWRXCNGPS-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107611;MM107611;CCNC(=N)C=CF;OWQKIHZITIPKTG-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107612;MM107612;ON=C1CC(O)CN1;VHESXYGRBSFSIS-UHFFFAOYSA-N;116.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107613;MM107613;C=NNC(C)=CC=NO;VBJJMDGXNKUPJX-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107614;MM107614;CCNC(=O)C=CF;LEDDVEUJWZPLPF-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107615;MM107615;CCNC(=N)C=NN;BMJPIGDKEXFQOP-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107616;MM107616;CCNC(=O)C=NO;RRCPFRFGKXYANX-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107617;MM107617;CNNC(=N)C=CN;OKKWPDSCPHFFED-UHFFFAOYSA-N;114.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107618;MM107618;CNNC(=N)C=CF;XUOZOTBYEJPVCT-UHFFFAOYSA-N;117.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107619;MM107619;N=C(CO)N(N)C=NO;XKJJKVSBLGDASD-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107620;MM107620;NN=C(NC=O)NC=O;JDJASJRGJSTNHT-UHFFFAOYSA-N;130.11;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107621;MM107621;CC(=NO)C(=CN)CO;RAEAZPKMJXELFV-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107622;MM107622;CNNC(=O)C=NO;JEIOTFXYIFEFBO-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107623;MM107623;CONC(=O)C=CN;YAIDWXGICMQBDI-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107624;MM107624;OCC1=NCC(=NO)N1;PSVYQZGWXWWYSU-UHFFFAOYSA-N;129.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107625;MM107625;CC(F)CC(CF)=NO;ZADNPQGXTGSZTR-UHFFFAOYSA-N;137.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107626;MM107626;NC(=O)C(=O)C(O)C=NO;BJTCPVPUGGDFBR-UHFFFAOYSA-N;146.1;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107627;MM107627;C=C(C=CC)OCC;PJCYWOOAQHDOPF-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107628;MM107628;C=C(C=CF)OCC;UQZGCACVTBMEFM-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107629;MM107629;CC=CC(=O)OCC;ZFDIRQKJPRINOQ-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107630;MM107630;CCOC(=O)C=CF;IZRFZANQMUWZFZ-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107631;MM107631;C=C(C=NN)OCC;PHJIQBMSFYCWHJ-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107632;MM107632;C=C(C=NO)OCC;GDZVFVKFTRHNPN-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107633;MM107633;C=CCC(=C)C=CC;AGESRJGCXYAYON-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107634;MM107634;C=CCC(=C)C=CF;WPBZEDFZVDUIGM-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107635;MM107635;C=C(C=CC)CC=O;FGPLNJXTOYOFMY-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107636;MM107636;C=C(C=CC)CC#N;BNFIJWFWUUPIMA-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107637;MM107637;C=C(C=CF)CC=O;NPCDMRZICTXHKX-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107638;MM107638;C=CCC(=O)C=CC;HTFIIJWSUHAMIQ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107639;MM107639;C=CCC(=C)C=NN;LGMRVYDYYLHJLI-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107640;MM107640;N=Nc1c[nH]c(NN)n1;UZMUVJYUAASCJN-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107641;MM107641;C=C(C=NO)CC#N;LLKUOAIJSHFTBL-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107642;MM107642;C=C(C=CC)NC=N;KQFUVMYTRJSRKP-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107643;MM107643;C=C(C=CF)NC=N;ZOMODSVLXRJLQC-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107644;MM107644;C=C(C=CC)NC=O;FNQOCIPYZWJLSY-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107645;MM107645;C=CNC(=N)C=CC;XYTYENNXTQPQER-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107646;MM107646;C=CNC(=N)C=CF;JISCPPSPUSIYAB-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107647;MM107647;N=CNC(=N)C=CF;VTHBPDUPCSMNRF-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107648;MM107648;CN(N)C=NC(=O)NC=O;SNVFTDCZSMQCPY-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107649;MM107649;N=C(C=CF)NC=O;JXSPHJVSJSUGGE-UHFFFAOYSA-N;116.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107650;MM107650;C=CNC(=O)C=CC;WIDILVBXOQAPTJ-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107651;MM107651;N=C(NC=O)NC(=O)CO;XVPPMLDTPVHGIC-UHFFFAOYSA-N;145.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107652;MM107652;CC(C=NO)=CC(C)=NN;PJYGGMLPEYXXGT-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107653;MM107653;O=CNC(=O)C=CF;KOVYWXYWQUIYSV-UHFFFAOYSA-N;117.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107654;MM107654;C=C(C=NO)NC=O;XPALBHPDUSDEAK-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107655;MM107655;N=C(C=NN)NC=O;PANHLTBDWXYDQD-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107656;MM107656;N=C(C=NO)NC=O;BNOJYDAEOHBHTR-UHFFFAOYSA-N;115.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107657;MM107657;CC(=NN)C(C=CN)=NO;MRARPFKJGJBMFF-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107658;MM107658;C=CNC(=O)C=NO;XJKYAKMIFWWLLG-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107659;MM107659;NN=C(CO)N(N)C=NO;ANIWNWPYVLBGMZ-UHFFFAOYSA-N;147.14;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107660;MM107660;N=CNC(=O)C=NO;URLJCHUMMVXFPZ-UHFFFAOYSA-N;115.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107661;MM107661;NN=CC(=O)NC=O;IHESJCDLTQSOBN-UHFFFAOYSA-N;115.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107662;MM107662;O=CNC(=O)C=NO;LQWBFIWYWWUNQB-UHFFFAOYSA-N;116.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107663;MM107663;Cc1nc(O)c(C)[nH]1;RGLLHIYSHSJSJM-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107664;MM107664;C=NNC(=O)C=CF;ZSCIQBAHSMNNRT-UHFFFAOYSA-N;116.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107665;MM107665;C=NNC(=O)C=NN;FHQJZQACCHFIOI-UHFFFAOYSA-N;114.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107666;MM107666;C=NNC(=O)C=NO;DLNGCPUZUQDUDK-UHFFFAOYSA-N;115.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107667;MM107667;C=COC(=C)C=CC;YZSYYOBSQGKMDR-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107668;MM107668;C=COC(=C)C=CF;GQMSGVNEJXYELX-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107669;MM107669;C=C(C=CC)OC=O;SGYKATJKUUSHKP-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107670;MM107670;C=C(C=CF)OC=O;YVYKTORJEYYAFK-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107671;MM107671;C=COC(=O)C=CC;IYNRVIKPUTZSOR-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107672;MM107672;C=COC(=O)C=CN;DMKHTNQGKCHBAL-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107673;MM107673;C=COC(=O)C=CF;RZPNKZCMRWOHRU-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107674;MM107674;C=COC(=C)C=NN;QCKVKGNOZSFGAU-UHFFFAOYSA-N;112.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107675;MM107675;C=COC(=C)C=NO;YTINZDZKXXJGHO-UHFFFAOYSA-N;113.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107676;MM107676;C=NOC(=O)C=CC;FYAOBVCBGABKNF-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107677;MM107677;C=NOC(=O)C=CF;QOAXNENZIRBWQA-UHFFFAOYSA-N;117.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107678;MM107678;C#CCC(=C)C=CC;QWABDKGJAABGTR-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107679;MM107679;C#CCC(=C)C=CF;MQWQTFMOGCZTDY-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107680;MM107680;C#CCC(=O)C=CC;JUBZHFVKDCCDOO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107681;MM107681;C#CCC(=O)C=CN;GGEFSOUOPDDMIF-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107682;MM107682;C#CCC(=O)C=CF;TVJBROQWQQKVLO-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107683;MM107683;C#CCC(=C)C=NN;HQNCFPVIBDSMFH-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107684;MM107684;C#CCC(=C)C=NO;HRLCPVHGEAPKQJ-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107685;MM107685;CC#CC(C)CCN;XTOWFOVUDOKGGC-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107686;MM107686;CC#CC(C)CCF;NONIGDYJFQQMCH-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107687;MM107687;CC#CC(N)CCC;TVUVBROUDIMTJU-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107688;MM107688;CC#CC(F)CCC;LUJRITMSSWHDMM-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107689;MM107689;CC#CC(F)CCO;KWXQLVVXVFBXQU-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107690;MM107690;CC#CC(F)CCF;WGVKFRWBVXZWIQ-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107691;MM107691;CC#CC(C)CNC;FNYJCTNLJZULSJ-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107692;MM107692;CC#CC(C)COC;SJDFWOXHUJYDBB-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107693;MM107693;CC#CC(F)COC;SRWFZOJRUNXXST-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107694;MM107694;CC#CC(C)NCC;IYMBNDWPYWIJQC-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107695;MM107695;CC#CC(C)OCC;LVQLTYRFWNFCPA-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107696;MM107696;C=CCC(C)C#CC;ZZFUERFEZLKXNW-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107697;MM107697;CC#CC(C)CC=O;XYAKLIHRONKOOV-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107698;MM107698;C=CCC(N)C#CC;UULMAMKRTZBDLI-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107699;MM107699;C=CCC(F)C#CC;OSABFJRHXDCUMW-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107700;MM107700;CC#CC(F)CC#N;TWGJGYBWKROPTM-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107701;MM107701;CC#CC(C)NC=N;ZBHSNNQNGUXTOF-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107702;MM107702;CC#CC(C)NC=O;NLVNIPVRCYMBTL-UHFFFAOYSA-N;111.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107703;MM107703;CC1=NC(=NO)CN1N;XJAJDBSEUOTCMP-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107704;MM107704;C=COC(C)C#CC;RLZWBMKXVGXQIU-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107705;MM107705;CC#CC(C)OC=O;LMEFJHKIVPSHKM-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107706;MM107706;C=NOC(C)C#CC;SHXDOVDZUIGGKD-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107707;MM107707;C#CCC(N)C#CC;CCZBRSAAJXLJMH-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107708;MM107708;C#CCC(O)C#CC;KXVRSQRSNGYWIC-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107709;MM107709;C#CCC(F)C#CC;UCZASYXMBWCEGX-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107710;MM107710;C=C(C#CC)CCF;JGGIZKGRSFINFY-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107711;MM107711;CC#CC(=O)CCF;VTTDFYNWGFFTON-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107712;MM107712;C=C(C#CC)COC;QFSYEQYXMSBXSW-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107713;MM107713;CC#CC(=O)COC;IJENIZPXNZONNG-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107714;MM107714;CC#CC(=N)NCC;IFHMIQRYIARTBV-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107715;MM107715;CC#CC(=O)NCC;PYRJXLMSGKKKDU-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107716;MM107716;CC1C(=NO)N=CN1N;UXTXLDHKQDFFIT-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107717;MM107717;C=C(C#CC)OCC;PJFAHPHGKJFTGZ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107718;MM107718;CC#CC(=O)OCC;FCJJZKCJURDYNF-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107719;MM107719;C=C(C#CC)NC=O;JLMUWBFLAFRKOI-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107720;MM107720;C=Cc1ncc(N)n1O;RRWHCTLMEPHMDP-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107721;MM107721;C=NNC(=O)C#CC;JGEUDJJUDBAATD-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107722;MM107722;C=COC(=C)C#CC;ATBXCNWWKJGGLH-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107723;MM107723;C=C(C#CC)OC=O;OSMLMJUAZICZMZ-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107724;MM107724;C=COC(=O)C#CC;VPTZILCJCHLYFY-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107725;MM107725;C=NOC(=O)C#CC;QAYXKJFTIXLGQE-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107726;MM107726;CC=CC(C)C=CC;PRPMBEZVXZKPOS-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107727;MM107727;CC=CC(C)C=CF;YFLPRSQWRTUTTK-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107728;MM107728;CC(C=CF)C=CF;CSKYSJALNGDMDY-UHFFFAOYSA-N;118.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107729;MM107729;CC=CC(N)C=CC;MHGMKXDUGGUPRB-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107730;MM107730;CC=CC(N)C=CF;WDNASRHLWGZULJ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107731;MM107731;C=CN1C=NC(=NO)C1;HLKCGWLBFGAAOI-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107732;MM107732;CC=CC(O)C=CF;PMAUFVIMOFKBNX-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107733;MM107733;CC=CC(F)C=CC;OFHBQJNNQLNDCU-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107734;MM107734;CC=CC(F)C=CF;ZVPJMYOXNRGPKG-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107735;MM107735;FC=CC(F)C=CF;CPCRLXBMPYBECB-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107736;MM107736;CC=CC(C)C=NN;GOUWJOSOOCWFHH-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107737;MM107737;CC=CC(C)C=NO;KZYLFWCQSUKDRM-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107738;MM107738;CC(C=CF)C=NN;LVHHPMPVWHFWBB-UHFFFAOYSA-N;116.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107739;MM107739;CC(C=CF)C=NO;VNVGZXHXNSIMFZ-UHFFFAOYSA-N;117.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107740;MM107740;CC=CC(F)C=NN;WUCNRWBAIGHEMT-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107741;MM107741;CC(O)C(O)C(F)C=NO;BKIPVXQXEYLISV-UHFFFAOYSA-N;151.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107742;MM107742;CC(C=NN)C=NO;NXGRJHQJQXEQCH-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107743;MM107743;CC=CN(C)C=NC;OAQNTGQMAANOCY-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107744;MM107744;N#CC(O)C#CC1CN1;XWDXSPJTSFYGQT-UHFFFAOYSA-N;122.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107745;MM107745;CN=CN(C)C=CF;DDBBBYGBMYDKEB-UHFFFAOYSA-N;116.14;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107746;MM107746;C=CC(F)=CN(N)C=NO;OEYSVPQGNYVTHB-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107747;MM107747;N=C(C=NN)N(N)C=NO;YDDVLBNOBVHJSY-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107748;MM107748;C=CN(C)C=NC(=O)NN;NCTJPQPXGITPQF-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107749;MM107749;C=C(C=CC)C=CC;VYIXOGJEDDHRGV-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107750;MM107750;C=C(C=CC)C=CF;VJDQCXVTTKLFGK-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107751;MM107751;CC=CC(=O)C=CC;XQBYLOYJNLQCLU-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107752;MM107752;CC=CC(=O)C=CF;QDLFANKXOQFZHK-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107753;MM107753;NC=CC(=O)C=CN;OTOATSWKRSNICB-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107754;MM107754;O=C(C=CF)C=CF;PMUTWQWLVKJFLF-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107755;MM107755;C=C(C=CC)C=NN;QHHZXMBFTPSDIR-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107756;MM107756;CC(O)(C#N)C#CC1CN1;PLIRFVLKPXIGOY-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107757;MM107757;NC=CC(=O)C=NO;VVVOFAGAWKZTFC-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107758;MM107758;CC#CC(C)C=CC;UHMWFYXXXSTHHC-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107759;MM107759;CC#CC(C)C=CF;GIBHRJYNDYAHHG-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107760;MM107760;CC#CC(N)C=CC;VXPDNJBXBNIIFL-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107761;MM107761;CC#CC(N)C=CF;CLXNAAUXFZREFM-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107762;MM107762;CC#CC(O)C=CC;AXLBTQPMXHYAST-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107763;MM107763;CC#CC(F)C=CC;WBTRKPSXSLHBPQ-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107764;MM107764;CC#CC(F)C=CF;DRWPMNYMJZPMIU-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107765;MM107765;CC#CC(C)C=NN;FGCJWZNJIVKECF-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107766;MM107766;CC#CC(C)C=NO;LJSFLURWSPMYPT-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107767;MM107767;CC#CC(F)C=NN;NOTPAYLMKZPKHU-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107768;MM107768;CN(O)C(=O)C(O)C=NO;BXKZLRXUBZCVPS-UHFFFAOYSA-N;148.12;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107769;MM107769;C=C(C#CC)C=CC;LMFSIAWATKOYHV-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107770;MM107770;C=C(C#CC)C=CF;XOYWVMQGMFOAOV-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107771;MM107771;CC#CC(=O)C=CC;IVGDUEDOYPHVQO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107772;MM107772;C=C(C#CC)C=NN;BABBQHXHWNEMHG-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107773;MM107773;C=C(C#CC)C=NO;FWYPPNIDKPBOCV-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107774;MM107774;CC#CC(O)C#CC;KOIDGUWOYNLDDW-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107775;MM107775;CC#CC(F)C#CC;URKUGVFONZTOAH-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107776;MM107776;CCC=C(C)CCC;KKVVJQGDNYIIMN-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107777;MM107777;CCCC(C)=CCN;QPWHMKDXHHUPKY-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107778;MM107778;CCCC(C)=CCF;YEIRKLSQPBAOSN-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107779;MM107779;CCC=C(C)CCN;VGIRMSOBFOEQRX-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107780;MM107780;CC(=CCO)CCN;XCNQXRRYXQXWPE-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107781;MM107781;CC(C=O)C(=O)ON=CN;HLPNLWFWXRHDPX-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107782;MM107782;CC(=CCN)CCO;AZWLNRLCXIGCCH-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107783;MM107783;CN(C=N)C(=O)NC=NO;DFAGCABOBNJTIR-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107784;MM107784;CCC=C(C)CCF;DRSSBEFNVVDNDR-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107785;MM107785;CCC=C(F)CCC;VWKXYUJRGIJZOF-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107786;MM107786;CCCC(F)=CCN;MEASWIBXMTUDRJ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107787;MM107787;CCCC(F)=CCF;UJGZHILNSBXWKX-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107788;MM107788;CCC=C(F)CCN;QQKHIJIJXIIWRR-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107789;MM107789;NCC=C(F)CCN;OJTWYGXDZBTSRK-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107790;MM107790;NCCC(F)=CCO;WWDYYJCTDMAESQ-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107791;MM107791;CCC=C(F)CCO;GFLMMAUUDUPSTH-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107792;MM107792;NCC=C(F)CCO;JCEQDPPAJJARJR-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107793;MM107793;CCC=C(F)CCF;CMEHALWQMYGTFC-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107794;MM107794;CCCC(C)=COC;BSLYVAWMKREDDX-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107795;MM107795;COC=C(C)CCF;NUBHEKOAFSIXNU-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107796;MM107796;CCCC(F)=COC;XYNZZLFOIYFNJV-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107797;MM107797;COC=C(F)CCN;ICKZJQIITKATSU-UHFFFAOYSA-N;119.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107798;MM107798;COC=C(F)CCO;SXLKRYVSTWEPLD-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107799;MM107799;COC=C(F)CCF;SQLBILLTRICXEV-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107800;MM107800;CCC=C(C)CNC;CUZHUTDJYSLLAM-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107801;MM107801;CNCC(C)=CCN;GYFBWBLCTOCCTJ-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107802;MM107802;CNCC(F)=CCN;BFFLLMWHDHNETL-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107803;MM107803;CCC=C(C)COC;XASIAMGXMCSMES-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107804;MM107804;CCC=C(F)COC;HZCHVLVFRWXWLN-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107805;MM107805;COC=C(C)COC;YEFXWTZMNSNMTQ-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107806;MM107806;CCCC(C)=NNC;RXUXVCIPHMDFAM-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107807;MM107807;CNN=C(C)CCN;BBGYFVPPMKRVKO-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107808;MM107808;CCC(=N)N(C=N)C=NO;LIHKVQFSHBGELG-UHFFFAOYSA-N;142.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107809;MM107809;CCCC(C)=NOC;CMUPRWBXGFPVTG-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107810;MM107810;CON=C(C)CCN;WZCCTCJHTFMNMM-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107811;MM107811;CNN=C(C)COC;VFNRTUUHBMQWRS-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107812;MM107812;CCN=C(C)NCC;IHJKBAFLNCXGLC-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107813;MM107813;CCN=C(C)NNC;YYLAYTSZSHSGOC-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107814;MM107814;CCN=C(C)NOC;SBIIVCDCWKTXCN-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107815;MM107815;CCC=C(C)OCC;KQRBTKLFPRTPPX-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107816;MM107816;CCOC(C)=CCN;WHDNRQCHMDFLCN-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107817;MM107817;CCOC(C)=CCO;CDVREMSURGDWNE-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107818;MM107818;CCOC(C)=CCF;CTLHIEDJAQNZDT-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107819;MM107819;CCOC(C)=COC;LDNHRTGWSIVARP-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107820;MM107820;CN=C(C)N(C=N)C=NO;LOFJIDTVVZKJKY-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107821;MM107821;CCOC(C)=NOC;NZYMDDNXBAMPRN-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107822;MM107822;CCCC(C)=CC=O;GYDWAHVMHVWZOZ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107823;MM107823;C=CC=C(C)CCN;ZHQXHQGPYUEVBR-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107824;MM107824;NC=CC(=NO)C(=O)NN;GSZCSWQMFLXOOH-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107825;MM107825;CC(=CC#N)CCO;IQDBYZNCXKKYFD-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107826;MM107826;C=CC=C(C)CCF;RUJONUFTENIUPV-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107827;MM107827;CC(=CC=O)CCF;MKUDZWIUZFBXFV-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107828;MM107828;CC(=CC#N)CCF;NWYIUDVETJKOMT-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107829;MM107829;CCCC(N)=CC=O;KDVHLJZXCCDXSC-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107830;MM107830;NC(=CC=O)CCO;HWWDKVXLESAWOY-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107831;MM107831;NNC(=NOC=O)NC=O;HRIMDHMDBGFWTD-UHFFFAOYSA-N;146.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107832;MM107832;C=CC=C(F)CCC;JIJMQCZHNOMLBU-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107833;MM107833;CCCC(F)=CC=O;JTDSKOWWRHTSPK-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107834;MM107834;CCCC(F)=CC#N;AGYXJZJXRKXSQU-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107835;MM107835;C=CC=C(F)CCN;GCFPVQMPAKGQRG-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107836;MM107836;C=CC=C(F)CCO;WWNRRNZAYABKAN-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107837;MM107837;C=CC=C(F)CCF;GVAHWNOFKTZDQP-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107838;MM107838;N#CC=C(F)CCF;RLEPBYDXQSBELN-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107839;MM107839;C=CC=C(C)CNC;WUNMLFXYPVYICD-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107840;MM107840;CNCC(C)=CC=O;BJKUNDZMKIRLSN-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107841;MM107841;CNCC(N)=CC=O;LVQJPSOOMKQNDI-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107842;MM107842;C=CC=C(C)COC;WUJMJZPGNQYVDE-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107843;MM107843;C=CC=C(F)COC;XAWFXLRVBWURSG-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107844;MM107844;C=NN=C(C)CCC;ZICNXZCYKMQKDF-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107845;MM107845;C=NN=C(C)CCF;MNUFNSKLYBSBGB-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107846;MM107846;C=NN=C(C)COC;KMIKSZXLOCMRBU-UHFFFAOYSA-N;114.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107847;MM107847;CCNC(C)=CC=O;OUMMIBMXQRUJOR-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107848;MM107848;CNN=CCC(=NO)NN;NXIWJWTZHHNAOP-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107849;MM107849;CNN=C(C)NC=N;LWSQTWQBIJOXGM-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107850;MM107850;CON=C(C)NC=O;GGDLHIZRYWINFP-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107851;MM107851;C=CC=C(C)OCC;LYFKQMBPTUHBMZ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107852;MM107852;CCOC(C)=CC=O;QCFDRECYIRCQRH-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107853;MM107853;CCOC(C)=CC#N;OGPZBDYPWBTUGD-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107854;MM107854;CCOC(N)=CC#N;WSRPMPDTBIYPOF-UHFFFAOYSA-N;112.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107855;MM107855;C=NN=C(C)OCC;NOGKAAYSIFCESZ-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107856;MM107856;C#CC=C(C)CCN;XFNVUWAVSJNVMF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107857;MM107857;CCC(CC1CN1C)=NO;HBRXSOROCZEOMB-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107858;MM107858;C#CC=C(C)CCF;GNSZSJRTBVNUOT-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107859;MM107859;C#CC=C(F)CCC;KTJKLNARNAXNSA-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107860;MM107860;C#CC=C(F)CCN;PQGTWSDMIHGRGC-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107861;MM107861;C#CC=C(F)CCO;WSJORPCJMDAJNV-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107862;MM107862;C#CC=C(C)COC;KBXNKBGUFUWYIU-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107863;MM107863;C#CC=C(F)COC;NGCDHIHOJFJQPV-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107864;MM107864;C#CC=C(C)OCC;AMODYJRGOBCAEO-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107865;MM107865;C=CCC(C)=CCC;NZXFAMRCCGUQGQ-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107866;MM107866;C=CCC(C)=CCN;NAMYPCFSBBIAGK-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107867;MM107867;C=CCC(C)=CCO;NMSPFMZHXLPNEI-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107868;MM107868;C=CCC(C)=CCF;ZRIWFYYHJVYKOU-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107869;MM107869;CCC=C(C)CC=O;UHMZTIRWRXVUBW-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107870;MM107870;CCC=C(C)CC#N;XGKADMBRNINVLN-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107871;MM107871;CC(=CCF)CC=O;MEHAHOUNZPHZDE-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107872;MM107872;CC(=CCF)CC#N;IQCWKKGPAMMNRL-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107873;MM107873;C=CCC(F)=CCC;YBLAUBUNWQGCDT-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107874;MM107874;C=CCC(F)=CCF;NBASYFCSMHISSI-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107875;MM107875;CCC=C(F)CC=O;PTVVBPBAMTZUDB-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107876;MM107876;CCC=C(F)CC#N;WWESWFNTPJBRPQ-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107877;MM107877;O=CCC(F)=CCF;SEUFAWKVDMHELA-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107878;MM107878;N#CCC(F)=CCF;ZKDQKMYGBZLFIC-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107879;MM107879;COC=C(C)CC#N;BEXHHRZAAHDSSZ-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107880;MM107880;C=CCC(F)=COC;YIRSLNXBSACXOM-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107881;MM107881;C=CCC(C)=NOC;VCMMKGQONZVQEO-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107882;MM107882;CCC=C(C)NC=N;XXCIIHPKSWXQHY-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107883;MM107883;CC(=CCN)NC=N;YGIBEIZHLDWKMT-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107884;MM107884;CC(=CCO)NC=N;KVAOXVGOIOTPJZ-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107885;MM107885;CCC=C(C)NC=O;GHIAWLKGUZPDNO-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107886;MM107886;CC(=CCN)NC=O;PUJFIVFHQMELBV-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107887;MM107887;C=CNC(C)=NCC;URAHARQKLFZDQX-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107888;MM107888;C=CNC(C)=NNC;ARZDKNJRBFXIKN-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107889;MM107889;C=CN=C(C)NOC;MZDFRAWPSKYSDR-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107890;MM107890;C=COC(C)=CCC;JHBCMEDRVQZNGI-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107891;MM107891;C=COC(C)=CCN;UEXYIXZYHXGXKW-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107892;MM107892;C=COC(C)=CCO;BCETUUCWVMCEME-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107893;MM107893;C=COC(C)=CCF;IBWQQWSVMYLWFW-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107894;MM107894;CCC=C(C)OC=O;AQZOZQXXUIKKOS-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107895;MM107895;CC(=CCF)OC=O;MJHHWGGDUHFEKY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107896;MM107896;C=COC(C)=COC;YWGYMZKJBJOOKH-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107897;MM107897;COC=C(C)OC=O;XFDPHWXWSQFLRI-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107898;MM107898;C=CC=C(C)CC=C;BGMDOWJDHTUYRB-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107899;MM107899;C=CCC(C)=CC=O;MVMFUOWKPSCCIT-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107900;MM107900;C=CCC(C)=CC#N;GAVVZJRYFCSKED-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107901;MM107901;CC(=CC=O)CC=O;DZAMOJKQPDARFJ-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107902;MM107902;NC(=CC=O)CC=O;RBCKRNYPDTUXOT-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107903;MM107903;C=CC=C(F)CC=C;MZSNMSFYWWYJRD-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107904;MM107904;C=CCC(F)=CC=O;VYRNJBOUKUEIRY-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107905;MM107905;C=CCC(F)=CC#N;RIYLAVPIWLJLBZ-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107906;MM107906;C=CC=C(F)CC=O;UYGPHENOQXCLQV-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107907;MM107907;C=CC=C(F)CC#N;ZFSDDCCHUTXVGL-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107908;MM107908;O=CC=C(F)CC=O;HPLUGFYKWFCYLU-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107909;MM107909;N#CCC(F)=CC=O;SZTMSMLZWATUGW-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107910;MM107910;N#CC=C(F)CC=O;LKEODZFTZYAVEW-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107911;MM107911;C=NN=C(C)CC#N;JLTSSGWSBSLESE-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107912;MM107912;C=CC=C(C)NC=N;AIGNQGHOKQJNNX-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107913;MM107913;C=CC=C(C)NC=O;ANTSQOCCEOBMPD-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107914;MM107914;CC(=CC=O)NC=O;IZCCGMBBEVMCCE-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107915;MM107915;CC(=CC#N)NC=O;WUIJNWOLKDSJGN-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107916;MM107916;N=CNC(N)=CC=O;BEYBFAYIUDIHAJ-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107917;MM107917;NC(=CC=O)NC=O;UAAUTDTYABFUPG-UHFFFAOYSA-N;114.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107918;MM107918;C=CN=C(C)NC=N;HUAWNGSHDWBKTH-UHFFFAOYSA-N;111.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107919;MM107919;CC(=NC=N)NC=N;XSEMHRYDERPVBA-UHFFFAOYSA-N;112.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107920;MM107920;ON=C1CC2(CF)CC2N1;HQMVJONPZGDIGF-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107921;MM107921;CC(=NC=O)NC=O;OJKQFGKBGOJUMW-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107922;MM107922;O=CC#CC=CNC=NO;ZHISRURJSMMABH-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107923;MM107923;CC1NC(=N)NC1=O;MYLLNAUNAXCVEV-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107924;MM107924;C=CC=C(C)OC=C;CLLPIWABEJSESO-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107925;MM107925;C=CC=C(C)OC=O;HSSZPBOECOJDIY-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107926;MM107926;C=COC(C)=NN=C;VTWJVNGQZXBURT-UHFFFAOYSA-N;112.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107927;MM107927;C=NN=C(C)OC=O;OBLQNEKFCQVDDW-UHFFFAOYSA-N;114.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107928;MM107928;C=NN=C(C)ON=C;RUXZAXLSDZVBLG-UHFFFAOYSA-N;113.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107929;MM107929;C#CC=C(C)CC=C;NAJNYNPVUTVRLQ-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107930;MM107930;C#CC=C(F)CC=C;AOUQDQBKMDUPHA-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107931;MM107931;C#CC=C(F)CC#N;UWVFWLOXFSYJLE-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107932;MM107932;C#CC=C(C)NC=O;MJOSNARUTQVCSM-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107933;MM107933;C#CC=C(C)OC=C;IVTLTTBHBQDYLC-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107934;MM107934;C#CC=C(C)OC=O;DZPFPWVFJNPLEG-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107935;MM107935;C#CCC(C)=CCC;NRKZVCGWHUJAGE-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107936;MM107936;C#CCC(C)=CCN;XLIPLPBUOMJSAZ-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107937;MM107937;C#CCC(C)=CCF;NTVZWPZVDFPYKL-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107938;MM107938;C#CCC(F)=CCC;YTSRZMSQABRRHQ-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107939;MM107939;C#CCC(F)=CCN;IQMHPYURWHCYTB-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107940;MM107940;C#CCC(F)=CCF;ZWYSKWLAJCGATF-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107941;MM107941;C#CCC(F)=COC;VSOBQTIUNLIDNR-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107942;MM107942;C#CCC(C)=NOC;MWUOGFWDSMNICU-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107943;MM107943;C#CCC(C)=CC=O;AJFBFBVBWHTWRA-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107944;MM107944;C#CCC(F)=CC=C;ATWRCDZFAFGAAH-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107945;MM107945;C#CCC(F)=CC=O;NTMKKSHSLHZTBY-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107946;MM107946;C#CCC(F)=CC#N;SMFABTRFJFMVDZ-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107947;MM107947;C#CCC(C)=NN=C;RZMMQYBUMMDSAO-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107948;MM107948;C#CC=C(C)CC#C;XJEWMSHHTSBXAS-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107949;MM107949;C#CC=C(F)CC#C;QCNCGQKTSDUYAQ-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107950;MM107950;CC=CC(C)=CCN;BMMKZTZISRLVKT-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107951;MM107951;CC=CC(C)=CCO;MOEBANQVGCZVQC-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107952;MM107952;CC=CC(C)=CCF;DEZASOACRLLGCU-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107953;MM107953;CCC=C(C)C=CF;UFYAYMFGBUZLJZ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107954;MM107954;CC(C=CF)=CCO;XWBZXCQJZYZFNR-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107955;MM107955;CC(C=CF)=CCF;KDFWPBDZLTURBA-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107956;MM107956;CC=CC(F)=CCC;PNFJAZCHHTUFQU-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107957;MM107957;CC=CC(F)=CCN;VBEKNHZLYJZKTQ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107958;MM107958;CC=CC(F)=CCO;OKLZBGXXHVOPGC-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107959;MM107959;CC=CC(F)=CCF;LVBYZMBWCUCCEN-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107960;MM107960;CCC=C(F)C=CF;OIACABDCGJJRIW-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107961;MM107961;NCC=C(F)C=CF;SXPSPDZMVVBJEP-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107962;MM107962;CC=CC(C)=COC;NFAYXMBSJZOGCY-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107963;MM107963;COC=C(C)C=CF;DQIUWGZHGKHJFV-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107964;MM107964;CC=CC(F)=COC;PXJOSAVUDGTVQJ-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107965;MM107965;COC=C(F)C=CF;AYBOZOSSKVYSPE-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107966;MM107966;CCC=C(C)C=NN;VYVKDBZJIGCIGF-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107967;MM107967;CC(C=NN)=CCF;MGTQJULCYQNQEE-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107968;MM107968;N=C1CC(CO)=NN1;GKHDTWXMSJISEE-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107969;MM107969;CCC=C(F)C=NN;FHQZFQQKPNCHTQ-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107970;MM107970;COC=C(C)C=NN;XWHKPRNXRUQLOI-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107971;MM107971;COC=C(C)C=NO;GJSDFHPFJXGRHB-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107972;MM107972;CC=CC(C)=NOC;HSJTXDGTLBCGKH-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107973;MM107973;CON=C(C)C=CF;HNQHHPIUFYVPLR-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107974;MM107974;C=CC=C(C)C=CC;VDVUHKKDSQTGOS-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107975;MM107975;CC=CC(C)=CC=O;GDFRTXCPRPWIOJ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107976;MM107976;C=CC=C(C)C=CF;DSONHYWGPWKFFU-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107977;MM107977;CC(C=CF)=CC=O;RZZHKZJLNICUHM-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107978;MM107978;CC=CC(N)=CC=O;IHYPSKDYVVJHEX-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107979;MM107979;CC=CC(N)=CC#N;MHKFLVDVMAQHSO-UHFFFAOYSA-N;108.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107980;MM107980;NC(C=CF)=CC=O;FWRDAUVUIGODOO-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107981;MM107981;C=CC=C(F)C=CC;WMQVVAPVJWPBMU-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107982;MM107982;CC=CC(F)=CC=O;ZBVXWNPNSPMMNE-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107983;MM107983;CC=CC(F)=CC#N;PSIHMZOGNCJTEI-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107984;MM107984;C=CC=C(F)C=CF;KEUHZXBFQCCNBX-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107985;MM107985;O=CC=C(F)C=CF;OOASHDFXGRCRNT-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107986;MM107986;N#CC=C(F)C=CF;GWNBJAUGTVNJRT-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107987;MM107987;C=CC=C(C)C=NN;PSAAZLQAOFKDPI-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107988;MM107988;NC(=CC=NO)CC=O;OXTJPHVSPOGOTJ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107989;MM107989;CC(C=NO)=CC=O;QZSJYOFKCNUSGB-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107990;MM107990;NC(C=NO)=CC=O;ILHGLGAXBBEOCA-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107991;MM107991;C=CC=C(F)C=NN;HWBSTLIMCAJOER-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107992;MM107992;C=CC=C(F)C=NO;WCNZKLDSXILJRG-UHFFFAOYSA-N;115.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107993;MM107993;C=NN=C(C)C=CN;OBELQTJMCOTRKM-UHFFFAOYSA-N;111.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107994;MM107994;C=NN=C(C)C=CF;FBSFXFKDJALAEV-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107995;MM107995;N=CN=C(N)NC=N;GIYYASNIWYSYSG-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107996;MM107996;C=NN=C(N)NC=N;LVQSQZKYKGHUGE-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107997;MM107997;C#CC=C(C)C=CF;DNUNSPHSXMFRJY-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107998;MM107998;C#CC=C(F)C=CC;UEZMACBPJDPSLZ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM107999;MM107999;C#CC=C(F)C=CF;FVXDBZFACWFAOS-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108000;MM108000;C#CC=C(C)C=NN;PSFVSDJJNKEXEZ-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108001;MM108001;C#CC=C(C)C=NO;QANVQTSEAGIPJV-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108002;MM108002;C#CC=C(F)C=NN;XDIZHWQUTBUGHK-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108003;MM108003;CC#CC(C)=CCC;CKJIJOXISZRZLT-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108004;MM108004;CC#CC(C)=CCN;WYFJEVBMOMONME-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108005;MM108005;CC#CC(C)=CCO;GVFPAIHMOUXWMJ-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108006;MM108006;CC#CC(C)=CCF;PJAQORSRVGQGFF-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108007;MM108007;CC#CC(F)=CCC;LWRBWPQMHBFHFK-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108008;MM108008;CC#CC(F)=CCF;SUAYIQZTTZCISV-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108009;MM108009;CC#CC(C)=COC;GHGIJKIIYYUSNQ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108010;MM108010;CC#CC(F)=COC;HYUSGJCRDZQSJY-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108011;MM108011;CC#CC(C)=NNC;YFBUWIZSVICDLI-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108012;MM108012;CC#CC(C)=NOC;NGAYWUHRJYPXMH-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108013;MM108013;CC#CC(C)=CC=O;BYKSMLFLMYLGRV-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108014;MM108014;CC#CC(N)=CC=O;WVXWQPYCTAFILL-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108015;MM108015;C=CC=C(F)C#CC;BIAHHXVATKTCMD-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108016;MM108016;CC#CC(F)=CC=O;MAQOFTMYQLELAE-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108017;MM108017;CC#CC(F)=CC#N;PCYPBNJNGWBTEK-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108018;MM108018;C=NN=C(C)C#CC;XVJSDNFTPYSDDC-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108019;MM108019;C#CC=C(F)C#CC;ACVBNVZIQJNSDD-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108020;MM108020;CCCC(C)C(C)C;JXPOLSKBTUYKJB-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108021;MM108021;CC(C)C(C)CCN;WEZJDTIOVDYLCA-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108022;MM108022;CN1N=C(CO)CC1=N;CBADKAHGOXTXFS-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108023;MM108023;CC(C)C(C)CCF;XTXUDZRCPHRCJC-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108024;MM108024;CCCC(C)C(C)N;WVYNIWHEHBSTSB-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108025;MM108025;Cc1c(CF)ncn1O;JKPPXFDMVZKHLK-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108026;MM108026;CC(O)C(C)CCF;RNHFFDBHRYNZLY-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108027;MM108027;CCCC(C)C(C)F;LJLUYPBDCXAYGW-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108028;MM108028;CC(F)C(C)CCO;YWSVFIZKPLWGCN-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108029;MM108029;CC(F)C(C)CCF;KUFSIKFRLXRVGI-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108030;MM108030;CCCC(C)C(F)F;SLMNHECIPDLELE-UHFFFAOYSA-N;122.16;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108031;MM108031;CC(CCN)C(F)F;YYRIUAUPSGRMIH-UHFFFAOYSA-N;123.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108032;MM108032;CC(CCO)C(F)F;BSHGYLHPDGUFBM-UHFFFAOYSA-N;124.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108033;MM108033;CC(CCF)C(F)F;FIFMHVLSDHOVLM-UHFFFAOYSA-N;126.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108034;MM108034;CCCC(N)C(C)C;BAXIQGRSUXFBCH-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108035;MM108035;CC(C)C(N)CCO;ZAQOIAYHBXCGIO-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108036;MM108036;CC(C)C(N)CCF;KZRYPFRMJBYSNR-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108037;MM108037;CC(N)C(N)CCN;BLZCCGIIJBNCTG-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108038;MM108038;CC(N)C(N)CCO;JWOOZNRBZKVDSO-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108039;MM108039;CC(N)C(N)CCF;VZBSKNDMKYBIIE-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108040;MM108040;CC(O)C(N)CCN;ISAYFOCNDPSJPS-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108041;MM108041;CC(O)C(N)CCO;VUEXEZAJGCYGFI-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108042;MM108042;CC(O)C(N)CCF;YTQGSVWLKJCUCV-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108043;MM108043;CCCC(N)C(C)F;KUACRQFMHWIGQH-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108044;MM108044;CC(F)C(N)CCN;HVZRJSQPOYQQME-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108045;MM108045;CC(F)C(N)CCO;CSJFBWYKRAXDFQ-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108046;MM108046;C#Cc1ncc(CO)[nH]1;NCMUEVJWIBTLRT-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108047;MM108047;CC(C)C(O)CCF;VSIJETPRFJPJKY-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108048;MM108048;CC(N)C(O)CCN;AZQVYKYXVJWLEX-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108049;MM108049;CC(N)C(O)CCO;NUCGJRNIYRNJDN-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108050;MM108050;CC(N)C(O)CCF;DBGAOUYZRDOIGV-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108051;MM108051;CC(O)C(O)CCN;YQCSQPLYGFTKQK-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108052;MM108052;CC(O)C(O)CCF;ZNLUPZLKGQMOFF-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108053;MM108053;CCCC(O)C(C)F;SAYLSBDYIYEJRF-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108054;MM108054;CC(F)C(O)CCO;VGCLMJWFVGBEEE-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108055;MM108055;NCCC(O)C(F)F;ZNUZTAYYIQVQKJ-UHFFFAOYSA-N;125.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108056;MM108056;OCCC(O)C(F)F;KKRJOVWLODGWGR-UHFFFAOYSA-N;126.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108057;MM108057;CC(C)C(F)CCO;CQSIZZLCJZRKBJ-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108058;MM108058;CC(C)C(F)CCF;GNLIGLNJFTXDHU-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108059;MM108059;CC(N)C(F)CCN;FUAMTAYJCYIIAY-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108060;MM108060;CC(O)C(F)CCN;WJJYLVVJKVEFEL-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108061;MM108061;CCCC(F)C(C)F;MEVUODNXAWFNRY-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108062;MM108062;CC(F)C(F)CCN;FQNJUTCYVNLOPD-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108063;MM108063;CC(F)C(F)CCF;YNZTXCNOQACPJC-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108064;MM108064;CCCC(F)C(F)F;GVCRTNZXOSPJOQ-UHFFFAOYSA-N;126.12;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108065;MM108065;OCCC(F)C(F)F;LRLQYFOGHIKNNZ-UHFFFAOYSA-N;128.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108066;MM108066;FCCC(F)C(F)F;NZVWFCYUCPGALF-UHFFFAOYSA-N;130.08;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108067;MM108067;CNCC(C)C(C)C;PFBNAEQQRUNIFH-UHFFFAOYSA-N;115.22;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108068;MM108068;CNCC(C)C(C)O;ZCDYTNJLYJCPPO-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108069;MM108069;CNCC(N)C(C)N;IDWYOBGSYHDAOF-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108070;MM108070;CNCC(N)C(C)O;LXZVGWHSAAVTMF-UHFFFAOYSA-N;118.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108071;MM108071;CNCC(N)C(C)F;ORCFIJPXKQAZEM-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108072;MM108072;CNCC(N)C(F)F;QXYULNZMXKGHNW-UHFFFAOYSA-N;124.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108073;MM108073;CNCC(O)C(C)C;RAKKFSLKTUFWPV-UHFFFAOYSA-N;117.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108074;MM108074;CNCC(O)C(C)N;YIDXSSNUOAAQTN-UHFFFAOYSA-N;118.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108075;MM108075;CNCC(O)C(C)O;DYFJLSDYMJFTBA-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108076;MM108076;CNCC(O)C(F)F;XHXBPHOZRMCMKE-UHFFFAOYSA-N;125.12;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108077;MM108077;COCC(C)C(C)C;RSLLLJWHUVGJPC-UHFFFAOYSA-N;116.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108078;MM108078;COCC(C)C(C)F;NHRRADGGRBNKFN-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108079;MM108079;COCC(N)C(C)N;GFKDJRQCUFJEBU-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108080;MM108080;COCC(N)C(C)O;GJEAWVIMAWIHHK-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108081;MM108081;COCC(O)C(C)N;LBOAXRIYQUTCOY-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108082;MM108082;COCC(O)C(C)O;XJFQEFQWWRDTDQ-UHFFFAOYSA-N;120.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108083;MM108083;CCNC(C)C(C)C;FQBQBRBAJDVVOH-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108084;MM108084;CCNC(C)C(C)F;UXEUPPRCRZXCHR-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108085;MM108085;CCOC(C)C(C)C;UJRCLZKWBWUTRC-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108086;MM108086;CCOC(C)C(C)N;DPXDOMRQYAUIIT-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108087;MM108087;CCOC(C)C(C)O;SFFDJWPLFTUFQC-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108088;MM108088;CCOC(C)C(C)F;DUCSTYYZIQBDMY-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108089;MM108089;CCOC(C)C(F)F;RWXICWZMOKHYIH-UHFFFAOYSA-N;124.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108090;MM108090;CCCC(C)N(C)C;LSTZYJQJHGEVKH-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108091;MM108091;CCCN(C)C(C)C;OYQDUCLFZSKBCZ-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108092;MM108092;CC(C)N(C)CCO;OFRNAQFDQREXMU-UHFFFAOYSA-N;117.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108093;MM108093;C=CCC(C)C(C)C;UFWIBUBEFUNVNI-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108094;MM108094;CC(C)C(C)CC=O;SZBNDYYJXRXQHA-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108095;MM108095;CC(C)C(C)CC#N;CSLNCDPOWDUVJD-UHFFFAOYSA-N;111.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108096;MM108096;C=CCC(C)C(C)N;MVQHVFFNSQIDLB-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108097;MM108097;CC(F)CC(N)=CC=NO;QASCSXXBUOTFGJ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108098;MM108098;CC(O)C(C)CC#N;OTQDJSBYFULGDH-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108099;MM108099;C=CCC(C)C(C)F;QFVRJBCQYUSXBR-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108100;MM108100;CC(F)C(C)CC#N;ZZASNHMMDMNNRH-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108101;MM108101;C=CCC(C)C(F)F;IRXCXEDEGWRDPB-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108102;MM108102;CC(CC=O)C(F)F;MLKDXSIPCRNLIY-UHFFFAOYSA-N;122.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108103;MM108103;C=CCC(N)C(C)C;SGHVVFPFONGNOB-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108104;MM108104;CC(C)C(O)CC=O;WEXQDARJRCYKPU-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108105;MM108105;CC(O)C(O)CC=O;HAISXSGUXCZQJK-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108106;MM108106;CC(O)C(O)CC#N;QNKGGZOFOVOARE-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108107;MM108107;CC(C)C(F)CC=O;BRQLLNYCTRLBSL-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108108;MM108108;C=CCC(F)C(C)N;XCOKALJLWVYVHF-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108109;MM108109;C=CCC(F)C(C)O;FDKCEJYFJJBJCR-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108110;MM108110;C=CCC(F)C(C)F;WYQJFBAVZBMYBZ-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108111;MM108111;CC(F)C(F)CC=O;CZHAHXWAPYJPOV-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108112;MM108112;C=CCC(F)C(F)F;MYTMEOCJVXLHRW-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108113;MM108113;O=CCC(F)C(F)F;QQSKQKCZZTVDED-UHFFFAOYSA-N;126.08;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108114;MM108114;N#CCC(F)C(F)F;QPXXFWDWUIFHTP-UHFFFAOYSA-N;123.08;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108115;MM108115;CC(C)C(C)NC=N;DBVVPDHCZNTELG-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108116;MM108116;CN(O)C=NN(C)C=NO;ZLHFEXVMRJVCKQ-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108117;MM108117;CC(N)C(C)NC=N;MYKWRRDPIJBIOW-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108118;MM108118;CC(N)C(C)NC=O;MDIKHZHFOYLGIX-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108119;MM108119;CC(O)C(C)NC=N;MHFFZWLFXPUZMZ-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108120;MM108120;CC(O)C(C)NC=O;TVZKUTCZEDRHNS-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108121;MM108121;CC(=NN(C)C=NO)NO;PDMIMAXPFMVURN-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108122;MM108122;C=COC(C)C(C)C;FTHQFVMSQQIXHI-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108123;MM108123;CC(C)C(C)OC=O;XEQSPMCNFJQDHU-UHFFFAOYSA-N;116.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108124;MM108124;C=COC(C)C(C)N;XKOFMVZUMDRHIK-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108125;MM108125;C=COC(C)C(C)O;AIMHDHRQXOBBTL-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108126;MM108126;C=COC(C)C(C)F;VOJBDKYIPUKFNB-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108127;MM108127;C=COC(C)C(F)F;KIQHYYHQCQGDGC-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108128;MM108128;CC(OC=O)C(F)F;CULPJYYEHCGJSY-UHFFFAOYSA-N;124.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108129;MM108129;C=NOC(C)C(C)C;WGDLFFWZTLDVAA-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108130;MM108130;C=NOC(C)C(C)F;XAONOBHMWZVUTN-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108131;MM108131;C=CCN(C)C(C)C;FNTKCFXJXGIBPO-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108132;MM108132;CC(C)N(C)NC=N;LVSYTWJOQYEHOY-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108133;MM108133;C#CCC(N)=C(C)C=NO;QLGUDGCXDIUANO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108134;MM108134;C#CCC(C)C(C)C;PHAVNGYBSBXTNC-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108135;MM108135;C=CN(O)C=NNC=NO;CUBCXUUPVLJQMT-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108136;MM108136;C#CCC(C)C(C)F;UIYYOIBNYKYXFT-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108137;MM108137;C#CCC(C)C(F)F;RUUGWQPUMIYKKS-UHFFFAOYSA-N;118.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108138;MM108138;C#CCC(N)C(C)N;SXVFCZNLZXSBGP-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108139;MM108139;C#CCC(N)C(C)F;QFAFXAARPHCFMZ-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108140;MM108140;C#CCC(O)C(C)F;ZYDYPKGQNALYMB-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108141;MM108141;C#CCC(O)C(F)F;CXQVBHOZVSEKDJ-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108142;MM108142;C#CCC(F)C(C)C;MDEUGHPGXWARCL-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108143;MM108143;C#CCC(F)C(C)O;MOADYZHCBWVLAZ-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108144;MM108144;C#CCC(F)C(C)F;BSBBSHCUSSSOBE-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108145;MM108145;C#CCC(C)N(C)C;VROSBCPIQKZVOQ-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108146;MM108146;C#CCN(C)C(C)C;MWMYHRMOZSWZLB-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108147;MM108147;C=C(C)C(C)CCC;LVLXQRZPKUFJJQ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108148;MM108148;C=C(C)C(C)CCN;ZPECNEVWACHKHP-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108149;MM108149;CN(N)C(C#CCO)=NO;RJDBMZNFIZQSHS-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108150;MM108150;C=C(C)C(C)CCF;LNOOTLWQQYRCMM-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108151;MM108151;CCCC(C)C(C)=O;GYWYASONLSQZBB-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108152;MM108152;CC(=O)C(C)CCO;YJCMJVMCCJIPRV-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108153;MM108153;CCCC(C)C(=N)N;GKRFOKIVXNRQAF-UHFFFAOYSA-N;114.19;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108154;MM108154;CC(CCN)C(=N)N;LOPGUUDEIQXDFM-UHFFFAOYSA-N;115.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108155;MM108155;CC(CCO)C(=N)N;GOGGTZSWVIHFIM-UHFFFAOYSA-N;116.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108156;MM108156;C=CC(CCC=NO)=NN;MWWAVZGPPBXBDV-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108157;MM108157;CC(CCN)C(N)=O;PNLOGXOGWOPPEV-UHFFFAOYSA-N;116.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108158;MM108158;CC(CCO)C(N)=O;OQGHTRNRMYIWBJ-UHFFFAOYSA-N;117.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108159;MM108159;CCCC(C)C(=O)O;OVBFMEVBMNZIBR-UHFFFAOYSA-N;116.16;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108160;MM108160;C=C(F)C(C)CCC;CRURMDCGMVULMK-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108161;MM108161;C=C(F)C(C)CCO;AMKBRUKLSAQXOJ-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108162;MM108162;C=C(F)C(C)CCF;QRNPZOPFWDNELR-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108163;MM108163;C=C(C)C(N)CCC;KJLQSFYALHGLPF-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108164;MM108164;N=C(N)C(N)CCN;QENBWDDHJVCGFP-UHFFFAOYSA-N;116.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108165;MM108165;N=C(N)C(N)CCO;QJKPLOOWABFNBT-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108166;MM108166;CCCC(N)C(N)=O;UZRUKLJLGXLGDM-UHFFFAOYSA-N;116.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108167;MM108167;NCCC(N)C(N)=O;IWYCJDYCZOVZDK-UHFFFAOYSA-N;117.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108168;MM108168;C=C(F)C(N)CCC;YPHLMGNCXYOPTM-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108169;MM108169;C=C(F)C(N)CCN;DMLFODADQCBCMI-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108170;MM108170;C=C(C)C(O)CCF;QONIUNGXGFDUSZ-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108171;MM108171;CC(=O)C(O)CCO;CGPIPFJOMJUWGK-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108172;MM108172;CC(=O)C(O)CCF;AAPYFQRKBIFNLZ-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108173;MM108173;N=C(N)C(O)CCN;LUCBSWBZIIXQGL-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108174;MM108174;N=C(N)C(O)CCO;VTHGOGIATVORDJ-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108175;MM108175;NCCC(O)C(N)=O;WIRCJYXBNQPZMH-UHFFFAOYSA-N;118.14;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108176;MM108176;NC(=O)C(O)CCO;FVLOHZJVLFKDNU-UHFFFAOYSA-N;119.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108177;MM108177;Nn1c(O)nnc1CO;VOVQVQOBFNBHFH-UHFFFAOYSA-N;130.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108178;MM108178;C=C(F)C(O)CCO;KOYIBGCYOKSIQQ-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108179;MM108179;C=C(C)C(F)CCC;UZRYGBFVOGRNAO-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108180;MM108180;C=C(C)C(F)CCO;DPTXODUCQSUPSA-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108181;MM108181;C=C(C)C(F)CCF;NMWZXUCGLZIDKT-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108182;MM108182;CCCC(F)C(C)=O;YNUOORLDRNYLCE-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108183;MM108183;CCCC(F)C(=N)N;OMVZHNPLLWVNEM-UHFFFAOYSA-N;118.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108184;MM108184;N=C(N)C(F)CCN;OPGYGQPCGMPXIU-UHFFFAOYSA-N;119.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108185;MM108185;NCCC(F)C(N)=O;CGINTXVXDVYWIY-UHFFFAOYSA-N;120.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108186;MM108186;CCCC(F)C(=O)O;AAYYJYDNERMSOZ-UHFFFAOYSA-N;120.12;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108187;MM108187;O=C(O)C(F)CCF;CGHYKCGTYZYKHF-UHFFFAOYSA-N;124.09;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108188;MM108188;C=C(F)C(F)CCC;ADGWENXIHQEFRU-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108189;MM108189;C=C(F)C(F)CCO;GPDDHRUDZLLHBW-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108190;MM108190;C=C(F)C(F)CCF;NDCFHXLUASBVBF-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108191;MM108191;CNCC(C)C(=N)N;QACZXLBEVRLGLH-UHFFFAOYSA-N;115.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108192;MM108192;CNCC(C)C(N)=O;MMGDSAOGDKPXMF-UHFFFAOYSA-N;116.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108193;MM108193;CNCC(N)C(=N)N;NHUIISUNJRDLEI-UHFFFAOYSA-N;116.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108194;MM108194;CNCC(N)C(N)=O;GPIYSORPHPCVNL-UHFFFAOYSA-N;117.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108195;MM108195;C=C(F)C(N)CNC;KZJPQXXQOKWQFY-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108196;MM108196;CNCC(O)C(C)=O;ZESBORXUANANEE-UHFFFAOYSA-N;117.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108197;MM108197;CNCC(O)C(=N)N;ORTVZXYGDUAPDT-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108198;MM108198;CNCC(O)C(N)=O;BEDKOMSSBKUQPZ-UHFFFAOYSA-N;118.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108199;MM108199;C=C(F)C(F)CNC;IPISPWQLMOPBLQ-UHFFFAOYSA-N;121.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108200;MM108200;C=C(C)C(C)COC;SFMPRFYBFSJWSR-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108201;MM108201;COCC(C)C(C)=O;QFHUGPZHHLXOBK-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108202;MM108202;C=C(F)C(C)COC;WYURYJLINFOXBE-UHFFFAOYSA-N;118.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108203;MM108203;C=C(C)C(N)COC;KCAGHBLYOSEHIN-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108204;MM108204;COCC(N)C(=N)N;MRIWNPPSJOEHKG-UHFFFAOYSA-N;117.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108205;MM108205;COCC(O)C(C)=O;FFAINMZJAKLFGG-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108206;MM108206;COCC(O)C(=N)N;CQXGFZDGGNQJKQ-UHFFFAOYSA-N;118.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108207;MM108207;COCC(O)C(N)=O;QGGVAZONYRRMAJ-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108208;MM108208;CN=Cn1nc(O)c(=O)o1;JWJXQJQOBQLYKV-UHFFFAOYSA-N;143.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108209;MM108209;C=C(F)C(O)COC;CYEJMNUEYODHRG-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108210;MM108210;C=C(C)C(F)COC;ICKIZNDGPKYOKC-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108211;MM108211;COCC(F)C(N)=O;DDTFGGAUJKCICZ-UHFFFAOYSA-N;121.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108212;MM108212;C=C(C)C(C)NCC;JTBGUWYLCOHACV-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108213;MM108213;CCNC(C)C(=N)N;CAJWOAPJDQUMEN-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108214;MM108214;C=C(C)C(C)OCC;MIPHTGDLJYTAPU-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108215;MM108215;CCOC(C)C(N)=O;KSIFOIXRKPNHLO-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108216;MM108216;C=C(F)C(C)OCC;LWDYMBFGLKOQJB-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108217;MM108217;CC(=N)N(C)CCN;ZCYGTEINMLHGDK-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108218;MM108218;CC(=N)N(C)CCO;QEFQIFPNNSKHDF-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108219;MM108219;CCCN(C)C(C)=O;PGTYNKFWSGJDGL-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108220;MM108220;CC(=O)N(C)CCN;MWYINQCLEUZWLM-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108221;MM108221;CC(=O)N(C)CCO;OBSKGKGKPGOOTB-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108222;MM108222;CC(=O)N(C)CCF;CIHSSMWFPWDHBG-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108223;MM108223;CCCN(C)C(=N)N;HKOZDRYXZCSING-UHFFFAOYSA-N;115.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108224;MM108224;CN(CCN)C(=N)N;LZAOQBYGDMCJCE-UHFFFAOYSA-N;116.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108225;MM108225;CN(CCO)C(=N)N;ORTUDDOFSUHQKZ-UHFFFAOYSA-N;117.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108226;MM108226;CN(CCF)C(=N)N;KKJXQRLBPCJZJB-UHFFFAOYSA-N;119.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108227;MM108227;CN(CCN)C(N)=O;MOVMIHLYYQMNSS-UHFFFAOYSA-N;117.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108228;MM108228;CN(CCO)C(N)=O;VPCGAVOQZDXDHO-UHFFFAOYSA-N;118.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108229;MM108229;CN(CCF)C(N)=O;LDDAQCZXWQXBSW-UHFFFAOYSA-N;120.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108230;MM108230;CC(=N)N(N)CCO;BKEKUGJCZQTDEY-UHFFFAOYSA-N;117.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108231;MM108231;CCNc1cnc(OC)[nH]1;UXNOSWXCHFJOOU-UHFFFAOYSA-N;141.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108232;MM108232;CC(=O)N(N)CCF;KWZIQTPWYLVJNO-UHFFFAOYSA-N;120.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108233;MM108233;N=C(N)N(N)CCO;YCSZARYAKLLAMM-UHFFFAOYSA-N;118.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108234;MM108234;N=C(N)N(N)CCF;KFEWTUXXHBTWQS-UHFFFAOYSA-N;120.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108235;MM108235;N#CCc1c[nH]c(CO)n1;FDCBQOVQCSPRCM-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108236;MM108236;ON=C1CC2CC2(CF)N1;KMEMNZXVSFLKAB-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108237;MM108237;CCc1ncn(CC)c1O;WWVDXADIGAYGAV-UHFFFAOYSA-N;140.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108238;MM108238;CC(=N)N(O)CCN;RDSXIDFBLHZNHR-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108239;MM108239;CC(=N)N(O)CCO;YOOGIYRMGBFCJM-UHFFFAOYSA-N;118.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108240;MM108240;N=C(N)N(O)CCN;NOIAXKVIFNIKSI-UHFFFAOYSA-N;118.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108241;MM108241;N=C(N)N(O)CCO;ADZKAYJHEMGFEG-UHFFFAOYSA-N;119.12;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108242;MM108242;N=C(N)N(O)CCF;NPZHCIYVXQCLRQ-UHFFFAOYSA-N;121.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108243;MM108243;NCCN(O)C(N)=O;CYBPRXWGJJKEOC-UHFFFAOYSA-N;119.12;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108244;MM108244;NC(=O)N(O)CCO;USBCXCSPSBCPKN-UHFFFAOYSA-N;120.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108245;MM108245;NC(=O)N(O)CCF;ZSUJSNBBRXAMCZ-UHFFFAOYSA-N;122.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108246;MM108246;CCNN(C)C(C)=N;DPFRAQCZHUPDJO-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108247;MM108247;CCNN(C)C(C)=O;FDAOUAQALFYLLR-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108248;MM108248;CCC12CCC(=NO)C1N2;IFEKILGSOPMDIO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108249;MM108249;CCON(C)C(=N)N;CTVHNSARVMALMP-UHFFFAOYSA-N;117.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108250;MM108250;C=CCC(C)C(=C)C;GRCQSGCHLQHSTC-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108251;MM108251;C=C(C)C(C)CC#N;KCZACXYAFFSXDA-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108252;MM108252;C=CCC(C)C(C)=O;JIQZYDBOQOYECI-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108253;MM108253;CC(=O)C(C)CC=O;GQHWESFTVGVFIA-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108254;MM108254;CC(CC=O)C(N)=O;HIUCNUFQEAPZDR-UHFFFAOYSA-N;115.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108255;MM108255;C=CCC(C)C(=C)F;TZWJDNPZFALAKB-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108256;MM108256;C=C(F)C(C)CC#N;MSFBRUOJGYNMQU-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108257;MM108257;C=CCC(N)C(=C)C;RRLNHUVKSSQSRH-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108258;MM108258;C=CCC(N)C(=N)N;KGCOBILLUBRSCS-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108259;MM108259;C=CCC(N)C(=C)F;MTDJFCQLDBDHQR-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108260;MM108260;CC1NC(=N)N(N)C1=O;SYTWUFDICYABJR-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108261;MM108261;CC(=O)C(O)CC#N;TWMLZQLGQBAOAR-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108262;MM108262;C=CCC(O)C(=N)N;PLONOXOYIQFJNG-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108263;MM108263;N=C(N)C(O)CC=O;HTXYDXQVYUJYKR-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108264;MM108264;N#CCC(O)C(=N)N;JWYHCLVDIIYDIX-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108265;MM108265;NC(=O)C(O)CC=O;HDOMVOCWMFZCOF-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108266;MM108266;N#CCC(O)C(N)=O;GSCNQCISJYGSBH-UHFFFAOYSA-N;114.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108267;MM108267;C=NOC(COCC)=NO;LBLDNRSFSACHOS-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108268;MM108268;CC1CN1CC(CF)=NO;PNZRDPQTJXFPGM-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108269;MM108269;C=CCC(O)C(=C)F;BDIFVYZDXAVZCK-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108270;MM108270;C=C(F)C(O)CC#N;AQJUGIYHRYTROY-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108271;MM108271;C=C(C)C(F)CC=O;LQLQTUBPHLFROS-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108272;MM108272;C=C(C)C(F)CC#N;KQRKSNBRGQVFGU-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108273;MM108273;C=CCC(F)C(=O)O;JZKRBMFWHADHHO-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108274;MM108274;N#CCC(F)C(=O)O;PHDYEHKPWAUEEH-UHFFFAOYSA-N;117.08;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108275;MM108275;C=C(F)C(F)CC=O;VTFCCYYAOZTCKD-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108276;MM108276;CC(NC=N)C(=N)N;CQPSJVFERVGQFE-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108277;MM108277;CC(NC=O)C(=N)N;QWORRDRWKQBISA-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108278;MM108278;CC(NC=O)C(N)=O;OHBKKAYQVRQZCD-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108279;MM108279;Cn1oc(O)c(O)c1=NN;UJWOPVSFQIFLPI-UHFFFAOYSA-N;145.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108280;MM108280;C=C(F)C(C)NC=N;CXOLWBVXORUICN-UHFFFAOYSA-N;116.14;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108281;MM108281;C=C(F)C(C)NC=O;ZOYXCLPOJKCCCB-UHFFFAOYSA-N;117.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108282;MM108282;C=NNC(C)C(=N)N;RJHIQGPKAJQJSO-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108283;MM108283;C=COC(C)C(=C)C;UWFLKPJYSDXXJP-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108284;MM108284;C=C(C)C(C)OC=O;QPLSBVDIVCMFIZ-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108285;MM108285;CC(OC=O)C(=N)N;ACCNXJQSHVQOLN-UHFFFAOYSA-N;116.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108286;MM108286;N=c1[nH]c(O)c(N)c(=O)o1;ZZBRKFJMJKKWNJ-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108287;MM108287;C=COC(C)C(=C)F;YGWVOAKJUHLUST-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108288;MM108288;C=C(F)C(C)OC=O;FRFIGKVSLQQJKX-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108289;MM108289;C=NOC(C)C(=C)C;UIDNZYOQDPJDJG-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108290;MM108290;C=NOC(C)C(=C)F;RHNLSINBIZBQMZ-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108291;MM108291;CN(CC=O)C(=N)N;GKZDQZQIADXLOX-UHFFFAOYSA-N;115.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108292;MM108292;CN(CC=O)C(N)=O;TVAPXQRTVFKXBA-UHFFFAOYSA-N;116.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108293;MM108293;C=CCN(N)C(=N)N;VPJYJBFXQKADQK-UHFFFAOYSA-N;114.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108294;MM108294;NC(=CC=NO)N1CC1;GAJITZNHGJQBFI-UHFFFAOYSA-N;127.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108295;MM108295;C=CCN(O)C(=N)N;KOARSWIULQRYDL-UHFFFAOYSA-N;115.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108296;MM108296;N=C(N)N(O)CC=O;ZDHRKRIMJLBJGM-UHFFFAOYSA-N;117.11;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108297;MM108297;C=CCN(O)C(N)=O;CLBYKBNUDOKYPL-UHFFFAOYSA-N;116.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108298;MM108298;NC(=O)N(O)CC=O;XRTPXMGWJJYDRC-UHFFFAOYSA-N;118.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108299;MM108299;CC(=N)N(C)NC=N;LTQMDOMYXCYLKR-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108300;MM108300;CC(=N)N(C)NC=O;FBIRENFXQRWYDA-UHFFFAOYSA-N;115.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108301;MM108301;C#CC(C=C(N)CC)=NO;MUIJDZCCDSNHGU-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108302;MM108302;CC(=O)N(C)NC=O;RHYHLDPLHGSKQE-UHFFFAOYSA-N;116.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108303;MM108303;CN(NC=N)C(=N)N;LNGLJSHBCCHXAX-UHFFFAOYSA-N;115.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108304;MM108304;CN(NC=O)C(=N)N;MIMVIULNHPQZRW-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108305;MM108305;CN(NC=N)C(N)=O;BAYZGOKWIULCCY-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108306;MM108306;CN(NC=O)C(N)=O;JRRXSNMHFFQPOS-UHFFFAOYSA-N;117.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108307;MM108307;CC(=O)N(C)OC=O;SJCDSQLLPMMSMR-UHFFFAOYSA-N;117.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108308;MM108308;C#CCC(C)C(=C)C;DKIXYNAZVSCOPH-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108309;MM108309;C#CCC(C)C(C)=O;NQKLWGLHPGVNAI-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108310;MM108310;C#CCC(C)C(=N)N;BICRHHWDSLXNSK-UHFFFAOYSA-N;110.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108311;MM108311;C#CCC(C)C(=C)F;OCECVLLDPAITSX-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108312;MM108312;C#CCC(N)C(=C)C;JAYXGKMWGGDZJX-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108313;MM108313;C#CCC(N)C(=N)N;AICXLKCZIUNZAC-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108314;MM108314;C#CCC(O)C(=N)N;DQJVDYPRZRXEJJ-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108315;MM108315;C#CCC(O)C(N)=O;KKIJVUJCOXKFMP-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108316;MM108316;C#CCC(O)C(=C)F;XTUMHXNIEMGEGU-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108317;MM108317;C#CCC(F)C(=C)C;UZXWWDHZZNISSO-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108318;MM108318;C#CCC(F)C(C)=O;DPPYWXLHARNDKY-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108319;MM108319;C#CCC(F)C(=O)O;BLSCQVFLHNXILD-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108320;MM108320;C#CCC(F)C(=C)F;FFIUQEDIORCFPV-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108321;MM108321;C#CCN(C)C(=N)N;COAAYUBOEFWSHH-UHFFFAOYSA-N;111.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108322;MM108322;C#CCN(C)C(N)=O;YXQFSUSZFBQLMF-UHFFFAOYSA-N;112.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108323;MM108323;C#CCN(N)C(=N)N;IXXUEOFZFNIBFG-UHFFFAOYSA-N;112.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108324;MM108324;CCN=CN(C=N)C=NO;YUQNBKBCPNWJSI-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108325;MM108325;C#CCN(O)C(=N)N;DWZHXHKUWJKEPB-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108326;MM108326;C#CCN(O)C(N)=O;IHEZTRJKWITPKJ-UHFFFAOYSA-N;114.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108327;MM108327;C=C(CCC)C(C)C;QOUCFWFZPKWYRE-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108328;MM108328;C=C(CCN)C(C)C;VRBRGPFNRRZBKG-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108329;MM108329;C=Cc1nn(C)c(=NN)[nH]1;ZXAVAPXETCZGOS-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108330;MM108330;C=C(CCF)C(C)C;HOMBRNZZXKKYJP-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108331;MM108331;C=C(CCC)C(C)N;ISKXGXYHTUDHKU-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108332;MM108332;C=Cc1cnc(CC)n1O;LGSBPDIOQYDZPL-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108333;MM108333;C=C(CCF)C(C)O;PMKCVIVZVQBGRI-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108334;MM108334;C=C(CCC)C(C)F;DFSOGVKAIADSHF-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108335;MM108335;C=C(CCO)C(C)F;DPXJAWOGUWPMIJ-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108336;MM108336;C=C(CCF)C(C)F;QSXDXUKTFMFLHY-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108337;MM108337;C=C(CCC)C(F)F;MDEJATDHXJICTM-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108338;MM108338;C=C(CCN)C(F)F;UWESXNWNIRGUIZ-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108339;MM108339;C=C(CCO)C(F)F;ZVHSVIISXJOBON-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108340;MM108340;C=C(CCF)C(F)F;HINILGNCHUOCID-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108341;MM108341;CCCC(=O)C(C)C;HIGGFWFRAWSMBR-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108342;MM108342;CC(C)C(=O)CCF;NTLJQTMLRSZREW-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108343;MM108343;CC(O)C(=O)CCO;YMIRTILUDYUWGY-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108344;MM108344;CC(O)C(=O)CCF;CBVWLCBTOXRYIF-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108345;MM108345;CCCC(=O)C(C)F;DFOLHASQOBRNRC-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108346;MM108346;CCCC(=O)C(F)F;YLGWQGOJJMDPAU-UHFFFAOYSA-N;122.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108347;MM108347;O=C(CCF)C(F)F;SNKACVFEGDZYMM-UHFFFAOYSA-N;126.08;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108348;MM108348;C=C(COC)C(C)C;PKHCVKWQJQOKFW-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108349;MM108349;C=C(COC)C(C)F;QHNJARNCAJFIQA-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108350;MM108350;C=C(COC)C(F)F;WPBZXTYHANFCKP-UHFFFAOYSA-N;122.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108351;MM108351;COCC(=O)C(C)O;WWTGTLIVPBYSDY-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108352;MM108352;COCC(=O)C(F)F;PEBDYKIFKYPAON-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108353;MM108353;CCNC(=N)C(C)C;OINCZXUHIVXVEM-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108354;MM108354;CCNC(=N)C(C)N;WDMGASFUYNFWLX-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108355;MM108355;CCNC(=N)C(C)O;OTXVJDRDIACUDG-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108356;MM108356;CCNC(=N)C(C)F;OSHZPDINXQKLKZ-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108357;MM108357;C#CCNC=NNC=NO;GUGUNCWWRBHGCN-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108358;MM108358;CCNC(=O)C(C)O;PWHWWMHNXSWQLD-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108359;MM108359;CCNC(=O)C(C)F;PRFSZBRNEPGRFE-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108360;MM108360;CCNC(=O)C(F)F;NPCMGJIFTRTKIZ-UHFFFAOYSA-N;123.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108361;MM108361;CNNC(=N)C(C)N;BZLVFFOSBARHIC-UHFFFAOYSA-N;116.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108362;MM108362;CNNC(=N)C(C)O;WYELJBBESINLHF-UHFFFAOYSA-N;117.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108363;MM108363;N=CN=CN(N)C=NO;KXVXGTFPLVZJKS-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108364;MM108364;CNNC(=O)C(C)F;QPAAIPVYFOLIEI-UHFFFAOYSA-N;120.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108365;MM108365;CONC(=N)C(C)C;PBGDIIPXUPXIAS-UHFFFAOYSA-N;116.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108366;MM108366;CONC(=N)C(C)O;RXBSMWIKWRNIDY-UHFFFAOYSA-N;118.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108367;MM108367;Cc1c(O)[nH]c(=N)oc1=O;ZTCSIOXFRSOJRJ-UHFFFAOYSA-N;142.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108368;MM108368;C=C(OCC)C(C)C;IRDGHFDTPIJNMU-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108369;MM108369;C=C(OCC)C(C)N;AYLWYPKMCHUYMA-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108370;MM108370;C=C(OCC)C(C)O;RAPLSHCGKUBFFG-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108371;MM108371;C=C(OCC)C(C)F;SHGHHFLUSVJMLJ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108372;MM108372;C=C(OCC)C(F)F;BCOFOMIMIBOKEP-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108373;MM108373;CCOC(=O)C(C)C;WDAXFOBOLVPGLV-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108374;MM108374;CCOC(=O)C(C)F;ODMITNOQNBVSQG-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108375;MM108375;CCOC(=O)C(F)F;GZKHDVAKKLTJPO-UHFFFAOYSA-N;124.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108376;MM108376;CN(C)C(=N)CCN;COVXSHZRRWNCIX-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108377;MM108377;CN(C)C(=N)CCO;BKICVEWDJCNPEW-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108378;MM108378;CN(N)C(=N)CCO;VMBONSIDIJPPQY-UHFFFAOYSA-N;117.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108379;MM108379;CN(N)C(=N)CCF;IJXVXBDOYUZXFS-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108380;MM108380;CN(O)C(=N)CCN;OWEBHJILWWDPLC-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108381;MM108381;CN(O)C(=N)CCO;VERDPHMWOAKAOX-UHFFFAOYSA-N;118.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108382;MM108382;CCCC(=O)N(C)C;VIJUZNJJLALGNJ-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108383;MM108383;CN(C)C(=O)CCN;JNDIDJUNNCBHTI-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108384;MM108384;CN(C)C(=O)CCO;ZEVPZBDCQLTDHD-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108385;MM108385;CN(C)C(=O)CCF;CYQYUBHMTMCSDB-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108386;MM108386;CC(C=NN)=CC=NO;KTNPDFIPKNUHLG-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108387;MM108387;CON=C(NN)NC=O;NBRXVABGJVRRQX-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108388;MM108388;CN(O)C(=O)CCO;HRUXIIFGHWXIHM-UHFFFAOYSA-N;119.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108389;MM108389;CN(O)C(=O)CCF;NAIYUEIEWQSCGE-UHFFFAOYSA-N;121.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108390;MM108390;CNCC(=N)N(C)C;JMMCKBDOJBFNEW-UHFFFAOYSA-N;115.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108391;MM108391;CNCC(=N)N(C)N;OMYAHYLBMGWWBR-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108392;MM108392;CNCC(=O)N(C)C;CAGXPPQTXUCBOY-UHFFFAOYSA-N;116.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108393;MM108393;CCNC(=N)N(C)N;CBFIQFQXZYVSHM-UHFFFAOYSA-N;116.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108394;MM108394;CCNC(=N)N(C)O;SZZJAAKTBBSHJM-UHFFFAOYSA-N;117.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108395;MM108395;CNNC(=N)N(C)O;NZQXIMSYSBTMBL-UHFFFAOYSA-N;118.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108396;MM108396;CCc1nc(C)c(F)[nH]1;HVYCFSZISJBCEL-UHFFFAOYSA-N;128.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108397;MM108397;CONC(=N)N(C)O;DANLLSUNRQXRKX-UHFFFAOYSA-N;119.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108398;MM108398;C=CCC(=C)C(C)C;TVYPKPSWMKVIOU-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108399;MM108399;C=C(CC#N)C(C)C;VSBXALLWRSJMJM-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108400;MM108400;C=CCC(=C)C(C)N;DESUMGSYQAKLLQ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108401;MM108401;CNc1nc(C)c(F)[nH]1;JWJWEJMADJBNJU-UHFFFAOYSA-N;129.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108402;MM108402;C=C(CC#N)C(C)O;ZBXQRXXPASAODW-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108403;MM108403;C=CCC(=C)C(C)F;KSRFOVOXQKMBIN-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108404;MM108404;C=C(CC#N)C(C)F;NWLOTTQPWHXBFS-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108405;MM108405;C=CCC(=C)C(F)F;MADKMQPXBYWHEZ-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108406;MM108406;C=C(CC=O)C(F)F;TVDYDBVSJNYRFQ-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108407;MM108407;C=C(CC#N)C(F)F;PPFAOLMNMASFMS-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108408;MM108408;C=CCC(=O)C(C)C;XQDAPPBMJRJOGF-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108409;MM108409;C=CCC(=O)C(C)F;LMBOPHGQDKDEDK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108410;MM108410;C=CCC(=O)C(F)F;LPAYUGGCJSTVHO-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108411;MM108411;N#CCC(=O)C(F)F;KNAXQRABRBXMGC-UHFFFAOYSA-N;119.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108412;MM108412;C=C(NC=N)C(C)C;RBMLAMLNXGSVMJ-UHFFFAOYSA-N;112.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108413;MM108413;C=C(NC=O)C(C)C;FOSCHMWBBRFEIU-UHFFFAOYSA-N;113.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108414;MM108414;C=C(NC=N)C(C)N;ARJJEUTYCGAVHX-UHFFFAOYSA-N;113.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108415;MM108415;C=C(NC=O)C(C)N;IBVACTWTOUDUCN-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108416;MM108416;C=C(NC=N)C(C)F;HOYIVIPUHBJWDV-UHFFFAOYSA-N;116.14;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108417;MM108417;C=C(NC=O)C(C)F;SXDMWOISJADHCZ-UHFFFAOYSA-N;117.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108418;MM108418;C=CNC(=N)C(C)N;ILWVQVWRWQSKSH-UHFFFAOYSA-N;113.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108419;MM108419;CC(N)C(=N)NC=N;PPCKZZVPIZVJFO-UHFFFAOYSA-N;114.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108420;MM108420;CC(O)C(=N)NC=O;VZUSZYLDYWVALM-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108421;MM108421;CC(F)C(=N)NC=N;LUOBEEGSXMDPKT-UHFFFAOYSA-N;117.13;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108422;MM108422;CC(F)C(=N)NC=O;KWCUVJTWCSTFQT-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108423;MM108423;CNc1cnc(OC)[nH]1;BEBUOCASQJGVFB-UHFFFAOYSA-N;127.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108424;MM108424;CC(F)C(=O)NC=N;YOGHBPNROJGJBH-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108425;MM108425;C=CNC(=O)C(F)F;ZJNKRZWTMZIABY-UHFFFAOYSA-N;121.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108426;MM108426;C=NNC(=O)C(C)F;WENSKTQCCFQTQL-UHFFFAOYSA-N;118.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108427;MM108427;C=COC(=C)C(C)C;KYTUJWLRHQBMJM-UHFFFAOYSA-N;112.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108428;MM108428;C=C(OC=O)C(C)C;BFEAGZNWNXRIOI-UHFFFAOYSA-N;114.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108429;MM108429;C=COC(=C)C(C)N;GAFKCURXFPAMIF-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108430;MM108430;C=COC(=C)C(C)O;NAOHOHPWASHXCU-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108431;MM108431;C=COC(=C)C(C)F;YPAVBEDWFPGDKS-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108432;MM108432;C=C(OC=O)C(C)F;FAXAKOJGTAARMM-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108433;MM108433;C=COC(=C)C(F)F;GKJGCHHRFQSPEC-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108434;MM108434;C=COC(=O)C(C)C;WNMORWGTPVWAIB-UHFFFAOYSA-N;114.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108435;MM108435;C=COC(=O)C(C)F;WYUIDWXRLOEJEJ-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108436;MM108436;C=COC(=O)C(F)F;ONSHBCMUUXTPOJ-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108437;MM108437;C=NOC(=O)C(C)C;ORZMFUDVNXVQAT-UHFFFAOYSA-N;115.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108438;MM108438;C=NOC(=O)C(C)F;ALXYSUXBHJLKEN-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108439;MM108439;CN(O)C(=O)CC=O;APNHOYXFDGQMNL-UHFFFAOYSA-N;117.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108440;MM108440;CN(C)C(=N)NC=N;GOWWFRDNIXXIQW-UHFFFAOYSA-N;114.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108441;MM108441;C=CC#CC(N)C(F)(F)F;RYELDWSNAMZYTF-UHFFFAOYSA-N;149.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108442;MM108442;COC(=O)CC(=O)C(=N)N;HYWFYOCYNSEMKQ-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108443;MM108443;C#CCC(=C)C(C)C;HPKJVSFJIZEXLZ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108444;MM108444;C#CCC(=C)C(C)N;XDYFLLYPHVBYHX-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108445;MM108445;CNNC(=NOC)NC=O;MGDBAVNZHUPYCA-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108446;MM108446;C#CCC(=C)C(C)F;MQCZKIVJRNQYDL-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108447;MM108447;C#CCC(=C)C(F)F;IYVNHDVIOAIMNA-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108448;MM108448;C#CCC(=O)C(C)C;LDFJONDWAVIECT-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108449;MM108449;C=C(C)C(=C)CCC;IZPZQHSIYAQQBQ-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108450;MM108450;C=C(C)C(=C)CCN;WHSUYZCIYTYUJX-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108451;MM108451;C=CC(=O)NC(=NN)NO;RIOVDHBKBBBIMG-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108452;MM108452;C=C(C)C(=C)CCF;LZHKIQJGWFNZJP-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108453;MM108453;C=C(CCC)C(C)=O;FCGJAWIYGRHEAW-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108454;MM108454;C=C(CCF)C(C)=O;HPLADBAZYQHQSX-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108455;MM108455;C=C(CCC)C(=N)N;WDCQJIHHYTWRQP-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108456;MM108456;C=C(CCN)C(=N)N;KBYHASNRRWJXNQ-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108457;MM108457;C=C(CCO)C(=N)N;XJVCWATVRIZUTB-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108458;MM108458;CC=C(F)C(=N)NC=NO;YJVJVKGWIGNEAN-UHFFFAOYSA-N;145.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108459;MM108459;C=C(CCN)C(N)=O;RINDUYMVZWQJDB-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108460;MM108460;C=C(CO)C(N)=CC=NO;NHKQHNPOVPKYMT-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108461;MM108461;C#CC12CC(=NO)NC1C2;IPQBNXSSQPGYOW-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108462;MM108462;C=C(CCC)C(=O)O;HEBDGRTWECSNNT-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108463;MM108463;C=C(CCF)C(=O)O;PDEDOHLJOUEBPK-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108464;MM108464;C=C(F)C(=C)CCC;WGSNFCMUMRYAMO-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108465;MM108465;C=C(F)C(=C)CCO;LLGULUDRFPQNAA-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108466;MM108466;C=C(F)C(=C)CCF;AQDGQGVNYDTAFL-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108467;MM108467;C=C(C)C(=O)CCC;HKGCRCBOKALXPA-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108468;MM108468;C=C(C)C(=O)CCF;WOZKQKNUHXOALK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108469;MM108469;CC(=O)C(=O)CCO;LKLKMCUVBQDYFU-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108470;MM108470;CC(=O)C(=O)CCF;LASMKQQWOGVYMC-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108471;MM108471;CCCC(=O)C(=N)N;WGJFXLALKNJDPG-UHFFFAOYSA-N;114.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108472;MM108472;CC(O)C(N)=CC=NO;FLVQWPQKSTWUDQ-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108473;MM108473;NC1=CC(=NO)CC1O;VOPREZIDZBDKIY-UHFFFAOYSA-N;128.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108474;MM108474;CCCC(=O)C(N)=O;BHHGIAPANGMGNK-UHFFFAOYSA-N;115.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108475;MM108475;NC(=O)C(=O)CCO;LTWKFDIEVAXCDM-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108476;MM108476;CC1C(=O)NNC1=O;VGJFPCRBOPWNSB-UHFFFAOYSA-N;114.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108477;MM108477;C=C(F)C(=O)CCC;RTLTXSRGTTXKDR-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108478;MM108478;C=C(F)C(=O)CCF;REZCOQSYSJIBHG-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108479;MM108479;C=C(CNC)C(=N)N;NUXCVIBMWXTNQG-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108480;MM108480;C=C(CNC)C(N)=O;YFARLBMKXXHZPX-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108481;MM108481;C=C(C)C(=C)COC;CCWHZJHJJADHDV-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108482;MM108482;C=C(F)C(=C)COC;YSMFMAUSYUQLNU-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108483;MM108483;COCC(=O)C(C)=O;AZDRNBKNCWPLMM-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108484;MM108484;C=C(C)C(=N)NCC;KOUNJEVIJGGDQF-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108485;MM108485;Cn1c(=O)ncc(=O)n1O;PNFPNSYEPSMVFP-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108486;MM108486;C=C(F)C(=N)NCC;VRDLHXAKPBCKRB-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108487;MM108487;Cc1c(CO)ncn1O;RMXUMMFKVHCSLR-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108488;MM108488;CCNC(=O)C(C)=O;SSHUWTSCLKWLDF-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108489;MM108489;ON=c1cc(O)n(O)o1;LPKXIEBKKDMPBH-UHFFFAOYSA-N;132.08;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108490;MM108490;C=C(F)C(=O)NCC;HLZJDTXTTFBVPG-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108491;MM108491;C=C(C)C(=N)NNC;LCXFXMOQXUEGII-UHFFFAOYSA-N;113.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108492;MM108492;CN=C1CC(CO)=NN1;IDPWKXZSRKBFAV-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108493;MM108493;CNNC(=N)C(=N)N;CBTLHWZNTPFINU-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108494;MM108494;Cc1cc(O)oc1F;HLXNFEFMPUQGKX-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108495;MM108495;CNNC(=O)C(C)=O;NCXXYHFWTRGEAZ-UHFFFAOYSA-N;116.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108496;MM108496;CCc1coc(O)c1F;GTYHPBZABABSSN-UHFFFAOYSA-N;130.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108497;MM108497;C=C(F)C(=O)NNC;WDLDDGNFVSFVLZ-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108498;MM108498;C=C(C)C(=N)NOC;JRAAEZLCVLPIOF-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108499;MM108499;CONC(=N)C(=N)N;GGYSCWBGFTXTPU-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108500;MM108500;CCc1occ(F)c1O;XNBSKALBAMNXGR-UHFFFAOYSA-N;130.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108501;MM108501;NC(=O)OC(CO)=NO;WHRBCGUJTDTAIP-UHFFFAOYSA-N;134.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108502;MM108502;C=C(C)C(=C)OCC;PCBBIRRXWYZTAC-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108503;MM108503;C#CC#CC(C=O)=NO;HEIKXBFIEOAQAO-UHFFFAOYSA-N;121.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108504;MM108504;C=C(F)C(=C)OCC;BXRYRHLVTQVYGX-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108505;MM108505;C=C(C)C(=O)OCC;SUPCQIBBMFXVTL-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108506;MM108506;CCOC(=O)C(=N)N;SAMSRYBWUYCCEM-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108507;MM108507;CCOC(=O)C(N)=O;RZMZBHSKPLVQCP-UHFFFAOYSA-N;117.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108508;MM108508;C=C(F)C(=O)OCC;DJMOYRIAWTXGEY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108509;MM108509;C=CCC(=C)C(=C)C;HFKBPQIXHUXRBK-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108510;MM108510;C=C(C)C(=C)CC#N;PMTGZQMFMBXUAW-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108511;MM108511;C=CCC(=C)C(C)=O;HTGMAGLWWIGJHZ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108512;MM108512;C=CCC(=C)C(=O)O;CRJSAYNCRPTWST-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108513;MM108513;C=C(CC#N)C(=O)O;UGSPTSYGOYGGOM-UHFFFAOYSA-N;111.1;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108514;MM108514;C=CCC(=C)C(=C)F;VUUCRWMSRBVMNV-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108515;MM108515;C=C(F)C(=C)CC=O;LIBDIJKGCWGBDS-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108516;MM108516;C=C(F)C(=C)CC#N;OACWADRYWLLNMC-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108517;MM108517;C=NN=CNC(=N)C=NO;NXBWQKNOXIKZHE-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108518;MM108518;C=CCC(=O)C(N)=O;SMOHRYGBUVRFQF-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108519;MM108519;NC(=O)C(=O)CC=O;SODDWNMNZKDYPG-UHFFFAOYSA-N;115.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108520;MM108520;OC=Cc1cnoc1;VGGACYRSJCALCP-UHFFFAOYSA-N;111.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108521;MM108521;O=CC#CC(CO)=NO;UIMCOQCFSNIIOW-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108522;MM108522;C=CCC(=O)C(=C)F;YBCKNFOTNILWFN-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108523;MM108523;C=C(C)C(=C)NC=N;ARMAGRGZYIMPQX-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108524;MM108524;C=C(C)C(=C)NC=O;UPIWUVXTYLZYCK-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108525;MM108525;C=C(NC=O)C(C)=O;HNYDMUYKPQKBMM-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108526;MM108526;C=C(F)C(=C)NC=N;OXGPNBVPNQNWQC-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108527;MM108527;C=C(F)C(=C)NC=O;CQEGNJQIYLTSFI-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108528;MM108528;C=CNC(=N)C(=C)C;LJUSIQVGLJEBJQ-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108529;MM108529;C=CNC(=N)C(=N)N;RZPUFZXXROEGMH-UHFFFAOYSA-N;112.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108530;MM108530;C#CCc1cc(F)n(O)n1;OVKWFCBHRYPGLE-UHFFFAOYSA-N;140.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108531;MM108531;N#CC1OC1C=NO;PTMQEOBVUDCXFS-UHFFFAOYSA-N;112.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108532;MM108532;C=C(F)C(=N)NC=O;BHKXMHUYLHCHQT-UHFFFAOYSA-N;116.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108533;MM108533;C=CNC(=O)C(=C)C;MRUJSNSDPBZNHO-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108534;MM108534;C=CNC(=O)C(C)=O;DPDKVFFOKIMNTP-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108535;MM108535;Nn1c(O)nnc1CF;HHAFZNSWDPGSIA-UHFFFAOYSA-N;132.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108536;MM108536;C=CNC(=O)C(=C)F;QQRPBWQFBAXBQF-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108537;MM108537;C=C(F)C(=O)NC=N;PLLNBCDPKDJKRE-UHFFFAOYSA-N;116.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108538;MM108538;C=C(F)C(=O)NC=O;WTHVRSFZJUFFQH-UHFFFAOYSA-N;117.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108539;MM108539;C#CC#CCN(N)C=NO;YJAGGAWXVRNSHR-UHFFFAOYSA-N;137.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108540;MM108540;Cc1nn(O)c(O)c1C;IHHTZXCVDUNOBW-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108541;MM108541;C=NNC(=O)C(=C)F;ADVSWNXGWQHUQZ-UHFFFAOYSA-N;116.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108542;MM108542;C=COC(=C)C(=C)C;BJIOWQOTMRYIOK-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108543;MM108543;C=C(C)C(=C)OC=O;OQIBVQRKSFOIGM-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108544;MM108544;Cc1c(O)n(N)oc1=O;IMFGJDGHJRNXQS-UHFFFAOYSA-N;130.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108545;MM108545;C=COC(=C)C(=C)F;GHMYUCYHSYQAES-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108546;MM108546;C=C(F)C(=C)OC=O;HZGWKMRFIPJUAM-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108547;MM108547;C=COC(=O)C(=N)N;IYKAQAMQPSLHST-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108548;MM108548;C=COC(=O)C(=C)F;OYCRNOQLZFXUSP-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108549;MM108549;C=NOC(=O)C(=C)C;XQVOFGIBLYFLTE-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108550;MM108550;C=NOC(=O)C(=C)F;XIOFBPXGFYJOLU-UHFFFAOYSA-N;117.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108551;MM108551;C#CCC(=C)C(=C)C;BYPWOXJXOTYKEY-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108552;MM108552;C#CCC(=C)C(C)=O;LTTYUUOPHREZES-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108553;MM108553;C#CCC(=C)C(=O)O;QCZWUGLVOMTRHD-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108554;MM108554;C#CCC(=C)C(=C)F;IRKUAVYINXRNBA-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108555;MM108555;C#CCC(=O)C(=C)C;QSDZKNRJKFNXHG-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108556;MM108556;CN(C=NO)N=CC=NN;XBSBZIZHVRIXGM-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108557;MM108557;C#CCC(=O)C(N)=O;SMUMHPLVCGHVJZ-UHFFFAOYSA-N;111.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108558;MM108558;C#CCC(=O)C(=C)F;UKNCBRNEJWMIOX-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108559;MM108559;CC=CC(C)C(C)C;OAVNNZUEVHDCKP-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108560;MM108560;CC(C)C(C)C=CF;MXEBYXMKQHJYTD-UHFFFAOYSA-N;116.18;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108561;MM108561;CC=CC(C)C(C)N;BWCDXYRUSRRZSV-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108562;MM108562;CC(N)C(C)C=CF;WDVBDIAFSPWRKK-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108563;MM108563;CN=C(N)C(=O)NC=NO;IFWGJRPPZVKKCB-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108564;MM108564;CC(O)C(C)C=CF;XDACFMCHMICRJT-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108565;MM108565;CC=CC(C)C(C)F;ZQIOANBXNUFAGH-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108566;MM108566;CC=CC(C)C(F)F;LCHSOKLXHBAXGP-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108567;MM108567;CC(C=CF)C(F)F;UGMWTXIQICCJNI-UHFFFAOYSA-N;124.11;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108568;MM108568;CC=CC(N)C(C)C;OASWRKORVCRVGC-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108569;MM108569;CC(C)C(N)C=CF;IDMMVPRMCMNDAU-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108570;MM108570;CC=CC(N)C(C)N;JRHQJHCLVQNOIH-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108571;MM108571;CC(N)C(N)C=CF;BYDWDUUNCNTOFZ-UHFFFAOYSA-N;118.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108572;MM108572;CC=CC(N)C(C)F;SMXGAVUXHAYDCJ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108573;MM108573;On1ccnc1;OPFNZHIUHJBGEW-UHFFFAOYSA-N;84.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108574;MM108574;CC(N)C(O)C=CF;DLJYGPOFYRLAOU-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108575;MM108575;CC=CC(O)C(C)O;HTIMRBZOFJVAFL-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108576;MM108576;CC(O)C(O)C=CF;VXUMRCKYKWKSIO-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108577;MM108577;CC=CC(O)C(C)F;CMVVDLGNLYGSKM-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108578;MM108578;CC=CC(F)C(C)C;WRUBOZKGPQGWSF-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108579;MM108579;CC(C)C(F)C=CF;WDVQFVCNIBGDHQ-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108580;MM108580;CC=CC(F)C(C)N;ZTGIENKEFUVTPU-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108581;MM108581;CC(N)C(F)C=CF;YCVJXBMWJZOTQX-UHFFFAOYSA-N;121.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108582;MM108582;CC=CC(F)C(C)O;FNPKGIWPKWYDJC-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108583;MM108583;CC(O)C(F)C=CF;VGJHCQNRYVFDEA-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108584;MM108584;CC=CC(F)C(C)F;IGZMVLJUCUUJJS-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108585;MM108585;CC(F)C(F)C=CF;NBUFZLZIUFEVJN-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108586;MM108586;FC=CC(F)C(F)F;CSEABGCVLNKTGE-UHFFFAOYSA-N;128.07;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108587;MM108587;CC(C)C(C)C=NN;CVDUDATZZRCEQW-UHFFFAOYSA-N;114.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108588;MM108588;CC(C)C(C)C=NO;BMHIVRGZCIEOJQ-UHFFFAOYSA-N;115.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108589;MM108589;CC(C=NN)C(F)F;SBINNLSTRBMCRL-UHFFFAOYSA-N;122.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108590;MM108590;CC(N)C(N)C=NO;NFSRPBPOJYHGPD-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108591;MM108591;CC(C)C(O)C=NO;BTVUEFKTDRSKSL-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108592;MM108592;Cc1nc(N)c(O)n1O;LZRHFXNIWNYUHJ-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108593;MM108593;CC(C)C(F)C=NN;XREUILMZQSPEQD-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108594;MM108594;CCNNC(=O)C(C)(C)F;OWPDCCLMYHTADB-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108595;MM108595;CC(C=NN)C(CF)=NO;DROSNFHHOZUGOB-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108596;MM108596;CC=CC(C)N(C)C;ODXIUAOLWJWORV-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108597;MM108597;CC(C=CF)N(C)C;FNXCQIXWDCNZFD-UHFFFAOYSA-N;117.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108598;MM108598;CN=CN(C)C(C)C;GRYLXLSOOQFPGH-UHFFFAOYSA-N;114.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108599;MM108599;CC(C)N(C)C=NN;PMSIQGGEQPVWQN-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108600;MM108600;CC(C=NO)=CNCC=O;MZYVQDJXHUSGKL-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108601;MM108601;CN=CN(N)C(C)C;RGNFXIWSLKZWDL-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108602;MM108602;CC=NN(C)C(C)C;MIBZAWBJZAJEMW-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108603;MM108603;C#CC(=NNC=N)NC=O;KIABBGRXBOSJDL-UHFFFAOYSA-N;138.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108604;MM108604;C=C(C)C(C)C=CC;QGDVKFLWAVKNAA-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108605;MM108605;C=C(C)C(C)C=CF;KZFSEFRPJCWBKR-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108606;MM108606;CC=CC(C)C(C)=O;KXOKGQNYBFVWOX-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108607;MM108607;CC(=O)C(C)C=CF;WOLFMOUIVVATNE-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108608;MM108608;CC=CC(C)C(=N)N;UEGOLMLOYQNPCW-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108609;MM108609;ON=C1C=CC2(O)CC2N1;QUFODMKFRXYRRA-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108610;MM108610;CC=CC(C)C(=O)O;NFRJJFMXYKSRPK-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108611;MM108611;C=C(F)C(C)C=CC;BLEGNUJDUFDJRH-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108612;MM108612;C=C(F)C(C)C=CF;MQFORMSWUMJRQB-UHFFFAOYSA-N;118.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108613;MM108613;C=C(C)C(N)C=CC;YGXSJICDRDGNAS-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108614;MM108614;C=C(C)C(N)C=CF;RPLFSCVPLQKTEM-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108615;MM108615;CCN=C1CC(CO)=NN1;IKJXOLKNHCDRRE-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108616;MM108616;CC(=O)C(O)C=CF;OPLJAAOCYDJLDW-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108617;MM108617;CC=CC(O)C(=N)N;LSHKRSLSEDBTQM-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108618;MM108618;N=C(N)C(O)C=CF;HRERQMKXQCEKCN-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108619;MM108619;NC(=O)C(O)C=CF;AQSJSKKNHXXVEL-UHFFFAOYSA-N;119.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108620;MM108620;C=C(C)C(F)C=CC;KITYTPSEXVIDAU-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108621;MM108621;CC=CC(F)C(C)=O;JGAPTQDXVXHKJO-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108622;MM108622;CC=CC(F)C(=O)O;MMNBCWDREPDPIR-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108623;MM108623;O=C(O)C(F)C=CF;VBKDLGVORMJGDE-UHFFFAOYSA-N;122.07;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108624;MM108624;C=C(C)C(C)C=NN;NJTBJRGWWLEZEU-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108625;MM108625;C=C(C)C(C)C=NO;VTMRUMWNNTWEPF-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108626;MM108626;CC(C=NN)C(=N)N;KMNPOYKTPUTIOS-UHFFFAOYSA-N;114.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108627;MM108627;CC(C=NO)C(=N)N;SETRBIAERKHYEJ-UHFFFAOYSA-N;115.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108628;MM108628;C=C(F)C(C)C=NN;FIQCIQWCIQFBNA-UHFFFAOYSA-N;116.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108629;MM108629;C=C(F)C(C)C=NO;WBVDNTNSBWGHCO-UHFFFAOYSA-N;117.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108630;MM108630;N=C(N)C(O)C=NN;ZCZVBQCTENMYKA-UHFFFAOYSA-N;116.12;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108631;MM108631;N#CCc1nc(CF)c[nH]1;KYVVRAFHTMTYIP-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108632;MM108632;CNN(C=O)C(C=O)C=O;WZQQXYICRIGNFV-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108633;MM108633;Nn1ccc(=O)c(F)c1O;ZGZHOGPHLWWVAK-UHFFFAOYSA-N;144.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108634;MM108634;NC=NOC(=O)C=NO;XPSQFZIXRAXAPN-UHFFFAOYSA-N;131.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108635;MM108635;C=CNc1nc(N=N)c[nH]1;ZFFJWSBLKMETMU-UHFFFAOYSA-N;137.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108636;MM108636;O=CC12CNC(=NO)N1C2;PRWCQFAUGIHIAL-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108637;MM108637;N=C1C=CNC1=O;JKJXONCYXKMLJK-UHFFFAOYSA-N;96.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108638;MM108638;CC=CN(C)C(C)=O;YOSFUFPTBXOXHO-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108639;MM108639;CN(C=CF)C(=N)N;XQGCOSWOXQCTJL-UHFFFAOYSA-N;117.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108640;MM108640;CC(=N)N(N)C=CF;TVVQAYNHYQHFGZ-UHFFFAOYSA-N;117.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108641;MM108641;CC=CN(N)C(C)=O;LIKVASZKTWHSQZ-UHFFFAOYSA-N;114.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108642;MM108642;N=C(N)N(N)C=CF;ZWLZZPNFEVNNMY-UHFFFAOYSA-N;118.12;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108643;MM108643;COc1ncc(C)[nH]1;LEEAPWVDULNVIL-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108644;MM108644;CC=CN(O)C(C)=O;LHHSGVDTUGWVIZ-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108645;MM108645;N=C(N)N(O)C=CF;SYEOOUAODBFZAW-UHFFFAOYSA-N;119.1;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108646;MM108646;C=C(C)N(C)C=NC;MAUWKCODRXACOC-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108647;MM108647;NC1=CC(=NO)CO1;JPXWYQWBJKFJDV-UHFFFAOYSA-N;114.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108648;MM108648;CC(=N)N(C)C=NN;RGPYFBOQLJSRTM-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108649;MM108649;CC(=N)N(C)C=NO;HYLBLQDDEYDXLO-UHFFFAOYSA-N;115.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108650;MM108650;C=NN(C)C=CC=NO;FPXWIRZUFWKTCJ-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108651;MM108651;CC(=O)N(C)C=NO;CAOXYOZFYRIVOM-UHFFFAOYSA-N;116.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108652;MM108652;CN=CN(C)C(=N)N;BGBXMRDPELAXSQ-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108653;MM108653;CN(C=NN)C(=N)N;SKKCMQAPXKORDP-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108654;MM108654;CN(C=NO)C(=N)N;MBXQXXZNOXBXPR-UHFFFAOYSA-N;116.12;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108655;MM108655;Cc1nc(CF)cn1O;OGPVQIINULFWMF-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108656;MM108656;CCc1ncn(C)c1O;RHNOUFHUVLETKO-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108657;MM108657;CN(C=NO)C(N)=O;HDEAXZCEYMZDBJ-UHFFFAOYSA-N;117.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108658;MM108658;CC(=N)N(N)C=NN;ULDSNSHGQUZMOR-UHFFFAOYSA-N;115.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108659;MM108659;CN=CN(N)C(C)=O;FIOUOCMTBIFGIN-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108660;MM108660;C=C(F)C=CN(N)C=NO;DXCYMPYXLALJSK-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108661;MM108661;CC(=O)N(N)C=NO;ACSCJKMJCQASPL-UHFFFAOYSA-N;117.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108662;MM108662;CN=CN(N)C(=N)N;RRLVOPRXUBRRRD-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108663;MM108663;N=C(N)N(N)C=NN;BXRLRYPLJPOFRH-UHFFFAOYSA-N;116.13;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108664;MM108664;N=C(N)N(N)C=NO;SSQZVSPXBGINGQ-UHFFFAOYSA-N;117.11;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108665;MM108665;CNN(C=NO)C=C(C)F;IDRMRPIAIZQRKV-UHFFFAOYSA-N;147.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108666;MM108666;C#CCC1=CC(=N)C(=O)N1;KXWBARNLNHFVFV-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108667;MM108667;COC(N)=CC(=NO)NN;MCRURKIRMNYTQC-UHFFFAOYSA-N;146.15;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108668;MM108668;C=C(C)N(O)C=NO;QMKKYNMZGOGEAZ-UHFFFAOYSA-N;116.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108669;MM108669;CC(O)C#CC(=NO)NN;AVSQBVYMKBNHSQ-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108670;MM108670;CN=CN(O)C(=N)N;QAIGAKQJUHKHDQ-UHFFFAOYSA-N;116.12;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108671;MM108671;N=C(N)N(O)C=NN;QBJPOKHYZXKUEP-UHFFFAOYSA-N;117.11;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108672;MM108672;CN=CN(O)C(N)=O;HGXLVILHDAHLSW-UHFFFAOYSA-N;117.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108673;MM108673;C=C(C=CC)C(C)C;YWAGGFOEKJZTIJ-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108674;MM108674;C=C(C=CF)C(C)C;FTZHAQIFBLUMJH-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108675;MM108675;C=C(C=CC)C(C)N;IBOXPIJHPUKAEE-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108676;MM108676;C=C(C=CF)C(C)N;QCESHNTYYYJCCR-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108677;MM108677;N=C(NC=NO)OCCO;BVLCCXFPKJWLCA-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108678;MM108678;C=C(C=CF)C(C)O;GXRLAOCKYOCDKX-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108679;MM108679;C=C(C=CC)C(C)F;AKLQAENXBPCYFS-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108680;MM108680;C=C(C=CF)C(C)F;NRJBIPMMJMWACC-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108681;MM108681;C=C(C=CC)C(F)F;VXTCKKDLSPXQEC-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108682;MM108682;C=C(C=CF)C(F)F;DCJGDBFOBUQYPS-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108683;MM108683;CC=CC(=O)C(C)C;QSACGCAUVMLJNS-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108684;MM108684;CC(C)C(=O)C=CF;GYBCIRLGHGJDLK-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108685;MM108685;CC(O)C(=O)C=CN;FMRXWYDUKNATAM-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108686;MM108686;CC(O)C(=O)C=CF;XTZNFNSCTZQXKZ-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108687;MM108687;CC=CC(=O)C(C)F;OASPHGOFWYQUGD-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108688;MM108688;CC(F)C(=O)C=CF;TXXPIVAIISOEQX-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108689;MM108689;O=C(C=CF)C(F)F;WBRMIFTYHGVFPY-UHFFFAOYSA-N;124.06;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108690;MM108690;C=C(C=NN)C(C)C;CJPOTDRDWFYNCD-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108691;MM108691;COCOC(=N)NC=NO;MCDRHLVRFQJMSS-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108692;MM108692;C=C(C=NN)C(C)F;UDIXDIJFXJHRBF-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108693;MM108693;C=C(C=NO)C(C)F;JIYPDFAGKJGDHX-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108694;MM108694;CN(C)C(=N)C=CN;TZUDZRPIPNJNLP-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108695;MM108695;CN(N)C(=N)C=CF;MCXQYTQIJUFIKW-UHFFFAOYSA-N;117.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108696;MM108696;CN(O)C(=N)C=CN;RAIOSOUJHKSHSO-UHFFFAOYSA-N;115.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108697;MM108697;CC=CC(=O)N(C)C;VPFXWMDVXYAJGV-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108698;MM108698;CC=NNC(C)=CC=NO;MELPQHHPGLJPNR-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108699;MM108699;CC=CC(=O)N(C)O;VIJUKAXHJHWIBI-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108700;MM108700;CN(C)C(=N)C=NN;VHYREFZXMGMWFU-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108701;MM108701;CN(C)C(=N)C=NO;KBDXHUJHYQKHAX-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108702;MM108702;N#CC(O)C=CNC=NO;DWTGBMGDWODDKY-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108703;MM108703;N=C(NC=NO)C1(F)CC1;JPXCEICIEJAPEU-UHFFFAOYSA-N;145.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108704;MM108704;N=CNN=c1o[nH]c(=O)o1;MZMCXRDYHQVTKP-UHFFFAOYSA-N;144.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108705;MM108705;CN(C)C(=O)C=NO;MREACGBNQMNTOD-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108706;MM108706;C=CC(C=CC=NO)=NN;OVWQIYMLBJYILZ-UHFFFAOYSA-N;139.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108707;MM108707;CN(N)C(=O)C=NO;WIAZPNBZQUNXEP-UHFFFAOYSA-N;117.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108708;MM108708;CN(O)C(=O)C=NN;HQOCMILUAKTYBE-UHFFFAOYSA-N;117.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108709;MM108709;C=C(C)C(=C)C=CC;DHIKBBZBMVKCLE-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108710;MM108710;C=C(C)C(=C)C=CF;ADWUUSYNCSXSFT-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108711;MM108711;C=C(C=CC)C(C)=O;VPLRDFUGGUNCGW-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108712;MM108712;C=C(C=CF)C(C)=O;BTINQVYKJQWBGI-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108713;MM108713;C=C(C=CF)C(=N)N;QYGSLOMGQRNVEV-UHFFFAOYSA-N;114.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108714;MM108714;CC1OC1CC(=NO)NN;PZOIYOXKYVUOIH-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108715;MM108715;CNC1=NC(CC#N)=NC1;WPOSYJYXUYRGDG-UHFFFAOYSA-N;136.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108716;MM108716;C=C(C=CC)C(=O)O;ALLFLSZNSYXGNQ-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108717;MM108717;C=C(F)C(=C)C=CC;RYWISWMQGPSAJN-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108718;MM108718;C=C(F)C(=C)C=CF;KKNLOELKQVLPPX-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108719;MM108719;C=C(C)C(=O)C=CC;GATZTNGEYJDPIG-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108720;MM108720;C=C(C)C(=O)C=CF;IZUFMJNQILQXSY-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108721;MM108721;CC=CC(=O)C(C)=O;VVZVXSHVLWHVPG-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108722;MM108722;N=C(N)C(=O)C=CF;ZCOQPWAGUFXUEO-UHFFFAOYSA-N;116.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108723;MM108723;NC=CC(=O)C(N)=O;XTOCYQCFZRTAGK-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108724;MM108724;C=C(F)C(=O)C=CC;LZLMFOZARMZONO-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108725;MM108725;C=C(F)C(=O)C=CN;LALWBIASOYVPIW-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108726;MM108726;C=C(F)C(=O)C=CF;RTXSCEFPKVQZNI-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108727;MM108727;C=C(C)C(=C)C=NN;CEAPLJMSETVEMH-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108728;MM108728;CC1C(NN)=NN=C1NN;KKUKXJHOMNPOTD-UHFFFAOYSA-N;142.17;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108729;MM108729;C=Cc1ncc(CC)n1O;RGNMWWHGQAAUQI-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108730;MM108730;C=C(C=NO)C(N)=O;SJYCXZZRSLRVTP-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108731;MM108731;C=C(F)C(=C)C=NN;XBNAYPACDDQQTE-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108732;MM108732;Cn1nc(O)n(C)c1=NN;ZOCLNAVIURXYMK-UHFFFAOYSA-N;143.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108733;MM108733;CC#CC(C)C(C)C;DFMQGJKNWBUODK-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108734;MM108734;CC#CC(C)C(C)N;KQUJIJNJNBCOBM-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108735;MM108735;CC(C=NO)=C(N)N;GXXCELUDJYLXIS-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108736;MM108736;CC#CC(C)C(C)F;XBFRNWUHENMKLL-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108737;MM108737;CC#CC(C)C(F)F;TWHWTDZJVRBGQA-UHFFFAOYSA-N;118.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108738;MM108738;CC#CC(N)C(C)C;TVXJZYDARSZOPU-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108739;MM108739;CC#CC(O)C(C)C;LHSUNRAJAUFWTR-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108740;MM108740;CC#CC(O)C(F)F;CVNDTJGVRZTPQE-UHFFFAOYSA-N;120.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108741;MM108741;CC#CC(F)C(C)C;QVPMPDUHBLHZLZ-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108742;MM108742;CC#CC(F)C(C)N;XUHJRMLAMDPBBL-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108743;MM108743;CC#CC(F)C(C)O;UYSWAQBMBUUTBO-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108744;MM108744;CC#CC(F)C(C)F;ZNOJPMSKOPDVQM-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108745;MM108745;CC#CC(F)C(F)F;RRTXODWSFSLNMG-UHFFFAOYSA-N;122.09;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108746;MM108746;CC#CC(C)N(C)C;HJSRNXXEYHCMDR-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108747;MM108747;C=C(C)C(C)C#CC;VBEODUCNGNBQFY-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108748;MM108748;CC#CC(C)C(C)=O;AVPBXJPSIWYBDQ-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108749;MM108749;CC#CC(C)C(=N)N;ITONKFITGQNRLQ-UHFFFAOYSA-N;110.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108750;MM108750;CC#CC(C)C(N)=O;LEAJADAOZGOANB-UHFFFAOYSA-N;111.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108751;MM108751;CC#CC(C)C(=O)O;WHSOCJOBJJPTIH-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108752;MM108752;C=C(F)C(C)C#CC;JIXJJPKMVQPKMJ-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108753;MM108753;C=C(C)C(N)C#CC;FZULRHXGFIOUAZ-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108754;MM108754;CC#CC(N)C(=N)N;UXKWIMMKBTVCGQ-UHFFFAOYSA-N;111.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108755;MM108755;C=C(C)C(O)C#CC;QPZDSJJYEZQOAZ-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108756;MM108756;CC#CC(O)C(=N)N;VHRSPMBWEZDYEK-UHFFFAOYSA-N;112.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108757;MM108757;CC#CC(O)C(N)=O;HBAODINSTAUSST-UHFFFAOYSA-N;113.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108758;MM108758;C=C(F)C(O)C#CC;OIAYJZJBRDQIJJ-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108759;MM108759;C=C(C)C(F)C#CC;IUFJJLIMZHPLRE-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108760;MM108760;CC#CC(F)C(C)=O;AQRPNOGGFTWUNG-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108761;MM108761;CC#CC(F)C(=O)O;BLQPRRXIBAYAFQ-UHFFFAOYSA-N;116.09;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108762;MM108762;C=C(F)C(F)C#CC;IJNMRQUZFSFULK-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108763;MM108763;C=C(C#CC)C(C)C;LABAKFQWPXBRKP-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108764;MM108764;C=C(C#CC)C(C)N;OGBSZNHXASIOFF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108765;MM108765;C=C(C#CC)C(C)O;UOJZRFWYQMPTKR-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108766;MM108766;C=C(C#CC)C(C)F;URRNYGOWQRQBTL-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108767;MM108767;C=C(C#CC)C(F)F;XHKNVJWCRGUQOH-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108768;MM108768;CC#CC(=O)C(C)C;XYKVPEZERYZDJY-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108769;MM108769;CC#CC(=O)C(F)F;SGRKEGLXUFSYCG-UHFFFAOYSA-N;118.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108770;MM108770;CC#CC(=O)N(C)C;CZOSMOPWKSUBRY-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108771;MM108771;C=C(C)C(=C)C#CC;LHDDKCRFSUEAHK-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108772;MM108772;C=C(C#CC)C(C)=O;AOVSMDUVKUIPTD-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108773;MM108773;C=C(C#CC)C(=N)N;BYFVZXHMXOXXNF-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108774;MM108774;CN(C=NO)C(=N)CF;VPIABOXIGJRVFB-UHFFFAOYSA-N;133.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108775;MM108775;C=C(C#CC)C(=O)O;MTPVCVZEASUCSQ-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108776;MM108776;C=C(F)C(=C)C#CC;LFHOCLJZLZBMCJ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108777;MM108777;C=C(F)C(=O)C#CC;UMZUZTPBKNGDQQ-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108778;MM108778;CCC=C(C)C(C)C;PRTXQHCLTIKAAJ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108779;MM108779;CC(=CCN)C(C)C;HDHDBEYLFZQKPE-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108780;MM108780;CC(=CCO)C(C)C;UFZFIJQVBUIVBK-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108781;MM108781;CC(=CCF)C(C)C;ISXVKDQBTVEDAV-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108782;MM108782;CCC=C(C)C(C)N;SKERAKLIBNCSEP-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108783;MM108783;CC(=CCN)C(C)N;AHPFTVXEAWSHOH-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108784;MM108784;CC(=CCF)C(C)N;DRVRPJIZTUNPHG-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108785;MM108785;CN(O)C(=NN)NC=O;WRXQNZPHFFCYLM-UHFFFAOYSA-N;132.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108786;MM108786;CC(=CCF)C(C)O;IOCYJSOELCWUOT-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108787;MM108787;CCC=C(C)C(C)F;LGYBRZMEWGTYME-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108788;MM108788;CC(=CCO)C(C)F;LRTCCISGQXWWFP-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108789;MM108789;CC(=CCF)C(C)F;ZDBGVLZMHYDRDM-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108790;MM108790;CCC=C(C)C(F)F;FMVMUGVXPUOHFZ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108791;MM108791;CC(=CCN)C(F)F;VRBVEGKPCXNNRZ-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108792;MM108792;CC(=CCF)C(F)F;LTYGSAQGIBSXTF-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108793;MM108793;CCC=C(F)C(C)C;FMZBJLYXXHJDSM-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108794;MM108794;CC(C)C(F)=CCN;CEQPLPNJBTXRFG-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108795;MM108795;CC(C)C(F)=CCF;CXMYLCGEFNIGKV-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108796;MM108796;CCC=C(F)C(C)O;OWFOMQOTDANDDS-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108797;MM108797;CC(O)C(F)=CCN;CLZMSVTUDFFHJY-UHFFFAOYSA-N;119.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108798;MM108798;CC(O)C(F)=CCO;OIOLBZZRUKZPOP-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108799;MM108799;CCC=C(F)C(C)F;SXEAZJDLJRWZQC-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108800;MM108800;CC(F)C(F)=CCN;YTHNBICKOZGQAM-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108801;MM108801;CCC=C(F)C(F)F;FPRYJLYQOMNBON-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108802;MM108802;OCC=C(F)C(F)F;XYFXZTPHAMMVBL-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108803;MM108803;COC=C(C)C(C)C;IEMKJLKZWYOLDL-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108804;MM108804;COC=C(C)C(C)O;AUQQUQNSKRBLRR-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108805;MM108805;COC=C(C)C(C)F;FNJQXMXHCREUDS-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108806;MM108806;COC=C(F)C(C)C;FNQMXXRIRVJWFH-UHFFFAOYSA-N;118.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108807;MM108807;COC=C(F)C(C)O;YGTMVTOSMCTWEH-UHFFFAOYSA-N;120.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108808;MM108808;COC=C(F)C(C)F;GTLFISWGSGQBON-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108809;MM108809;COC=C(F)C(F)F;OTUCBDHOBZWDNI-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108810;MM108810;CNN=C(C)C(C)C;RSMFHRONDYMPPW-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108811;MM108811;CON=C(C)C(C)C;UUIRXALICSHACV-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108812;MM108812;CON=C(C)C(C)N;IICGRERHTCVPEJ-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108813;MM108813;CON=C(C)C(C)F;BPULURSAZCSCAD-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108814;MM108814;N=C(C=NO)NNC(N)=O;CGGDQPZIQBBWKO-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108815;MM108815;CCN=C(C)N(C)C;ISBGMIISPIKHNE-UHFFFAOYSA-N;114.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108816;MM108816;CCN=C(C)N(C)N;QBCFTRBDIBYDTB-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108817;MM108817;CCN=C(C)N(C)O;RYQZJJVUJJJLDA-UHFFFAOYSA-N;116.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108818;MM108818;CNN=C(C)N(C)C;TVOSQVWKNGZBBG-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108819;MM108819;C=CC=C(C)C(C)C;AHWBOJHBQWURGT-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108820;MM108820;CC(=CC=O)C(C)C;DAFUHJHRUOVFAY-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108821;MM108821;C=CC=C(C)C(C)N;ICKJQHNLIHKBLB-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108822;MM108822;CC(N)=CC(C=NN)=NO;BRSUPFAIQRKORK-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108823;MM108823;CC(=CC#N)C(C)O;KMNUKZORBMKVAY-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108824;MM108824;C=CC=C(C)C(C)F;DOIHLEDGZVPWFM-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108825;MM108825;CC(=CC=O)C(C)F;OUVJBZPVWDRGCH-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108826;MM108826;CC(=CC#N)C(C)F;MKSVPMBQXPDOMD-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108827;MM108827;CC(=CC=O)C(F)F;LZJRULHJWQXMTJ-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108828;MM108828;CC(=CC#N)C(F)F;LXBYDRDBFOXBHB-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108829;MM108829;CC(C)C(N)=CC=O;MYAINFOJZZDLHY-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108830;MM108830;CC(C)C(N)=CC#N;DUDWHIZGKCRFIB-UHFFFAOYSA-N;110.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108831;MM108831;CC(F)C(N)=CC#N;OEVIMSRCTNYQQJ-UHFFFAOYSA-N;114.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108832;MM108832;C=CC=C(F)C(C)C;SOZIYVQBIKDNID-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108833;MM108833;CC(C)C(F)=CC=O;MBPCDPFCHBQRME-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108834;MM108834;CC(C)C(F)=CC#N;AQTKGPIIKCSJDE-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108835;MM108835;C=CC=C(F)C(C)O;DJXCTSBQBHTWNF-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108836;MM108836;C=CC=C(F)C(C)F;SRTZGWLJJZLHBR-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108837;MM108837;CC(F)C(F)=CC=O;NRPZICNJEKBSCY-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108838;MM108838;CC(F)C(F)=CC#N;ACOBJUJHKXMRQR-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108839;MM108839;N#CC=C(F)C(F)F;YKAJDIJEPIRMFC-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108840;MM108840;C=NN=C(C)C(C)O;FYXWNIHFNORAQK-UHFFFAOYSA-N;114.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108841;MM108841;C=NN=C(C)C(C)F;MDNAGPOPPJANNE-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108842;MM108842;C=NN=C(C)C(F)F;ZIBPXUWEFJAMJE-UHFFFAOYSA-N;120.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108843;MM108843;CC(=NC=N)N(C)C;AOPPNSCCCOLQIV-UHFFFAOYSA-N;113.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108844;MM108844;CC(=NC=O)N(C)N;SYNYKIYJGIFOQY-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108845;MM108845;C=NN=C(C)N(C)C;VPISDSQGIUPZPW-UHFFFAOYSA-N;113.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108846;MM108846;C#CC=C(C)C(C)C;ADMNYHXWHRXVJE-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108847;MM108847;C#CC=C(C)C(C)N;BEVIOCCTUYEJSV-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108848;MM108848;NN=C(NC=O)NOC=O;HRIMDHMDBGFWTD-UHFFFAOYSA-N;146.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108849;MM108849;C#CC=C(C)C(C)F;AOVSKPHCWQHCLF-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108850;MM108850;C#CC=C(C)C(F)F;JMEKADBACJGINL-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108851;MM108851;C#CC=C(F)C(C)C;YHKIQMAAPYYMCC-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108852;MM108852;C#CC=C(F)C(C)O;AILMXLMFLXSLNU-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108853;MM108853;C#CC=C(F)C(C)F;LIPCJOGTBCNEHP-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108854;MM108854;C=C(C)C(C)=CCC;FSECWGZNMLROOX-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108855;MM108855;C=C(C)C(C)=CCN;CEMZDKNSYCMJTQ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108856;MM108856;C=C(C)C(C)=CCO;CWGAOFKDDDVNFW-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108857;MM108857;C=C(C)C(C)=CCF;XWJLRVNNQOTRRP-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108858;MM108858;CCC=C(C)C(C)=O;VUMOHCHGPYCDSV-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108859;MM108859;CC(=O)C(C)=CCO;PJJQEFSIWVVTFX-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108860;MM108860;CC(=O)C(C)=CCF;RLMDOUPHHVHMQH-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108861;MM108861;CCC=C(C)C(=N)N;VGNKYMYXDYDMAY-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108862;MM108862;CC(=CCN)C(=N)N;OZUSXISODUJEDC-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108863;MM108863;CC(=CCO)C(=N)N;YKAAZUJXZTXBLO-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108864;MM108864;CC(=CCF)C(=N)N;IASLRLBEXGJTFS-UHFFFAOYSA-N;116.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108865;MM108865;O=CC12CC1NC(=NO)N2;LQCVPBOQNHLSDN-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108866;MM108866;CC(=CCN)C(N)=O;BJWYATGRHFDJCE-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108867;MM108867;CNNC(=O)NC=NO;ATXKILHRQBQNCA-UHFFFAOYSA-N;132.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108868;MM108868;CCC=C(C)C(=O)O;JJYWRQLLQAKNAD-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108869;MM108869;CC(=CCF)C(=O)O;AYSHIIDRLVFSIM-UHFFFAOYSA-N;118.11;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108870;MM108870;C=C(F)C(C)=CCC;LYKAWZGXPYDNRC-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108871;MM108871;C=C(F)C(C)=CCO;RBJAXIMHJCSINO-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108872;MM108872;C=C(C)C(F)=CCC;MIUKWVLXJRAAEZ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108873;MM108873;C=C(C)C(F)=CCF;YVTYFUVQDRFQRN-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108874;MM108874;CCC=C(F)C(C)=O;CMJAJFRUYWOZMY-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108875;MM108875;CC(=O)C(F)=CCF;KKCWYTGMCFQQBE-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108876;MM108876;CCC=C(F)C(=N)N;FVLHBJCSYOZNKD-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108877;MM108877;N=C(N)C(F)=CCN;ISBSSPJHCJCUAV-UHFFFAOYSA-N;117.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108878;MM108878;CCC=C(F)C(N)=O;QKMGNCSQLJOVMD-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108879;MM108879;NC(=O)C(F)=CCO;HRHXSCWVAZKSFM-UHFFFAOYSA-N;119.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108880;MM108880;NC(=O)C(F)=CCF;YQLANOMOLSVHMT-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108881;MM108881;CCC=C(F)C(=O)O;JBRQOQRPANVJKM-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108882;MM108882;O=C(O)C(F)=CCF;AUZPOPQTCSTLFG-UHFFFAOYSA-N;122.07;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108883;MM108883;C=C(F)C(F)=CCC;UHYIGWRQDTUENK-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108884;MM108884;C=C(F)C(F)=CCN;VIGYKJMNKYLNTD-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108885;MM108885;C=C(F)C(F)=CCF;OOSKJEKVSCCVCU-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108886;MM108886;CNC=C(C)C(=N)N;SQFPCFKXXXBJLS-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108887;MM108887;O=CC1CC(=NO)NN1;GRXPMQBRLIMKMS-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108888;MM108888;Nn1cnc(=NO)[nH]1;QZPVUTGNEGBPDM-UHFFFAOYSA-N;115.1;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108889;MM108889;C=C(C)C(C)=COC;WXISDWQXIOFPJU-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108890;MM108890;CC(=NO)NC=CC(F)F;HLQPCWQUEBWZIF-UHFFFAOYSA-N;150.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108891;MM108891;N#CCc1n[nH]c(=O)o1;UNVQOHDVTQHGKO-UHFFFAOYSA-N;125.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108892;MM108892;C=C(F)C(C)=COC;VGKDQCFIKVJJJJ-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108893;MM108893;C=C(C)C(F)=COC;QIZWJBSELZULLQ-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108894;MM108894;Cc1cc(O)n(O)c(=O)c1;CULAIDZKCQMYBP-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108895;MM108895;C=C(F)C(F)=COC;BWXMNBJKUXJAHV-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108896;MM108896;C=C(C)C(C)=NNC;KQUKVVYNTQYSGF-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108897;MM108897;CNN=C(C)C(=N)N;LBHBYAZEBRAEMB-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108898;MM108898;O=c1cccc(O)n1O;UTKKFXGWZTUFQI-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108899;MM108899;C=C(C)C(C)=NOC;DEANRRXDZXUQQD-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108900;MM108900;CN1C=C(C=NN)CC1=O;WDGZWFZPNQSONX-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108901;MM108901;C=C(F)C(C)=NOC;QRJLYNFQUSJMMN-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108902;MM108902;C=CC=C(C)C(=C)C;FVKTZIUBLNKLPP-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108903;MM108903;C=C(C)C(C)=CC=O;YZQYRTXSGDGJAV-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108904;MM108904;C=C(C)C(C)=CC#N;OGVOGOXVFDVZEC-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108905;MM108905;C=CC=C(C)C(C)=O;KTSNVZODIDFWEN-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108906;MM108906;CC(=O)C(C)=CC=O;PEBMIJGMJUFNQE-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108907;MM108907;CC(=O)C(C)=CC#N;SSCDTYHBPULRER-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108908;MM108908;N=C(NO)C(=O)NC=NN;BXEACFVLYBIGBU-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108909;MM108909;CNN(C=NO)C(=N)CO;GLWLOWZUAQWXIJ-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108910;MM108910;C=CC=C(C)C(=O)O;PZWQOGNTADJZGH-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108911;MM108911;CC(=CC#N)C(=O)O;LIHIBNOHKSQVFV-UHFFFAOYSA-N;111.1;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108912;MM108912;C=CC=C(C)C(=C)F;YAEWWYBOUZUDOE-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108913;MM108913;C=C(F)C(C)=CC=O;IJVQOPBAXHTUED-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108914;MM108914;C=C(F)C(C)=CC#N;INBRBIWWVYRJGZ-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108915;MM108915;N=C(N)C(N)=CC=O;GYUGTZCBHNMLHN-UHFFFAOYSA-N;113.12;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108916;MM108916;NNC(=NO)N(C=O)C=O;WBIVDMRLODAFRB-UHFFFAOYSA-N;146.11;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108917;MM108917;C=C(F)C(N)=CC=O;HGGCJZNDYJYILN-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108918;MM108918;C=C(F)C(N)=CC#N;WKCBVXDJRFODEY-UHFFFAOYSA-N;112.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108919;MM108919;C=CC=C(F)C(=C)C;MJVRJOIFZCFFAQ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108920;MM108920;C=C(C)C(F)=CC=O;MRTUZIVXEQFCSL-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108921;MM108921;C=C(C)C(F)=CC#N;IYIVZMZSEWESMX-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108922;MM108922;C=CC=C(F)C(C)=O;LUKSTBJPTZYJEZ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108923;MM108923;CC(=O)C(F)=CC=O;RNASTWOJEJIITL-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108924;MM108924;CC(=O)C(F)=CC#N;BWOIZDRCFXULFE-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108925;MM108925;C=CC=C(F)C(=O)O;DDROEPMKBMUHFT-UHFFFAOYSA-N;116.09;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108926;MM108926;C=CC=C(F)C(=C)F;GWSIRBMUYNJXRQ-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108927;MM108927;C=C(F)C(F)=CC=O;YVSCWNWKOAZVBY-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108928;MM108928;C=C(F)C(F)=CC#N;DRXUQZQJMHYRCB-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108929;MM108929;C=NN=C(C)C(=C)C;YHSYWKOTOZOIRF-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108930;MM108930;C=NN=C(C)C(=C)F;FBKUADKZDMVMRN-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108931;MM108931;C#CC=C(C)C(=C)C;GQKUMNMZZLZJQF-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108932;MM108932;C#CC=C(C)C(C)=O;BVMASOLNBRCVGD-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108933;MM108933;C#CC=C(C)C(=N)N;MSMCRCREMZLUOX-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108934;MM108934;CCC(CCN1CC1)=NO;CKJRJNSZXAHDGQ-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108935;MM108935;C#CC=C(C)C(=O)O;PVIKQMUIDLRWFU-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108936;MM108936;C#CC=C(C)C(=C)F;LMLASAJYNDRYFP-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108937;MM108937;C#CC=C(F)C(=C)C;LFQXQUGWRMAVIV-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108938;MM108938;C#CC=C(F)C(=O)O;PUGBZVWTAUZQAX-UHFFFAOYSA-N;114.08;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108939;MM108939;C#CC=C(F)C(=C)F;HNTQARAAORVUDX-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108940;MM108940;CCCC(C)=C(C)C;RGYAVZGBAJFMIZ-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108941;MM108941;CC(C)=C(C)CCN;MSOSLZNGXLWNSY-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108942;MM108942;ON=C1CNC=N1;OGZZMTUTLXYSHU-UHFFFAOYSA-N;99.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108943;MM108943;CC(C)=C(C)CCF;GDJOWNSWFTUXAV-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108944;MM108944;CCCC(C)=C(C)F;AVVIZJKEUFLNEF-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108945;MM108945;CC(F)=C(C)CCO;LPKZFBKCEAKAPX-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108946;MM108946;CC(F)=C(C)CCF;OAGJPSPLPJAOCF-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108947;MM108947;CCCC(C)=C(F)F;JTEZRBLXOZLDGU-UHFFFAOYSA-N;120.14;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108948;MM108948;CC(CCN)=C(F)F;ZRUNSSDGLKIXGT-UHFFFAOYSA-N;121.13;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108949;MM108949;CC(CCO)=C(F)F;NGWACFZLDYWFQW-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108950;MM108950;CC(CCF)=C(F)F;YJBBCNZIACLEBL-UHFFFAOYSA-N;124.11;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108951;MM108951;CCCC(F)=C(C)C;IYEYVXGSFBEAAP-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108952;MM108952;CC(C)=C(F)CCO;BCPSIXJZHBATCQ-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108953;MM108953;CC(C)=C(F)CCF;VLQDKSUGZZOYQT-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108954;MM108954;CCCC(F)=C(C)F;JTGCZCWGPTXWFB-UHFFFAOYSA-N;120.14;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108955;MM108955;CC(F)=C(F)CCN;XQNIPYUEQVCONV-UHFFFAOYSA-N;121.13;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108956;MM108956;CC(F)=C(F)CCO;DVZFKXZJQUCONP-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108957;MM108957;CC(F)=C(F)CCF;GDHKVUFTKXEALQ-UHFFFAOYSA-N;124.11;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108958;MM108958;CCCC(F)=C(F)F;LTTCXEDGGUZBNG-UHFFFAOYSA-N;124.11;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108959;MM108959;OCCC(F)=C(F)F;PCYKQGRAPGQQCB-UHFFFAOYSA-N;126.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108960;MM108960;COCC(C)=C(C)C;UENHVDJOWXUDIM-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108961;MM108961;COCC(C)=C(C)F;IFMQLJJZUDBKOA-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108962;MM108962;COCC(C)=C(F)F;MAJUAGRRNLPNJZ-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108963;MM108963;COCC(F)=C(C)C;WHRAHGDOSVWMSO-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108964;MM108964;COCC(F)=C(C)F;UXGCABWEVXJPFD-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108965;MM108965;COCC(F)=C(F)F;XCRDYLGAWQTNDC-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108966;MM108966;CCOC(C)=C(C)C;WMOSNOOGNZJNJR-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108967;MM108967;CCOC(C)=C(C)F;SBSJZRKPOLBADC-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108968;MM108968;CCOC(C)=C(F)F;UHMBXVXFKYURGF-UHFFFAOYSA-N;122.11;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108969;MM108969;C=CCC(C)=C(C)C;AHZPYLAZRVPKIB-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108970;MM108970;CC(C)=C(C)CC=O;KINLWAVYMWQZDY-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108971;MM108971;CC(C)=C(C)CC#N;YTUSHZZCINRBFN-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108972;MM108972;C=CCC(C)=C(C)F;WCCORQQJTVIHIZ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108973;MM108973;CC(F)=C(C)CC#N;NUNHBOJCUKXDTB-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108974;MM108974;C=CCC(C)=C(F)F;SYRQKQJDRXVHOY-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108975;MM108975;CC(CC#N)=C(F)F;SFPHPINOIPIHEF-UHFFFAOYSA-N;117.1;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108976;MM108976;C=CCC(F)=C(C)C;PVYNFXNQFGYYBK-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108977;MM108977;CC(C)=C(F)CC#N;XETYVGRECFBDEM-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108978;MM108978;C=CCC(F)=C(C)F;DJJQCGKJIVBCKA-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108979;MM108979;CC(F)=C(F)CC=O;UDKYEOUVBNPNCF-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108980;MM108980;N#CCC(F)=C(F)F;AHJQNBTZCKYKNX-UHFFFAOYSA-N;121.06;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108981;MM108981;CC(C)=C(C)NC=N;FHLIDGBJRRDDIP-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108982;MM108982;CC(F)=C(C)NC=O;ZWPHWXXQTIGALX-UHFFFAOYSA-N;117.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108983;MM108983;C=COC(C)=C(C)C;ZNDNAMAUYSRMMN-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108984;MM108984;C=COC(C)=C(C)F;PLJUDECTIGOBJZ-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108985;MM108985;C=COC(C)=C(F)F;KEKHWCZFASFAHW-UHFFFAOYSA-N;120.1;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108986;MM108986;CC(OC=O)=C(F)F;VZZICNPLJQHASD-UHFFFAOYSA-N;122.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108987;MM108987;C#CCC(C)=C(C)C;ONUFMUHALWDOSK-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108988;MM108988;C#CCC(C)=C(C)F;NZKBRQMFKBEKND-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108989;MM108989;C#CCC(C)=C(F)F;ONYOTHOJRYWBAL-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108990;MM108990;C#CCC(F)=C(C)C;CVJYSTHARGUVDE-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108991;MM108991;C#CCC(F)=C(C)F;SUXMASXWTGOFSP-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108992;MM108992;C#CCC(F)=C(F)F;XJSUZOBZBJUMDO-UHFFFAOYSA-N;120.07;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108993;MM108993;CC=CC(C)=C(C)C;XPQJKTHTVOZXGD-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108994;MM108994;CC(C)=C(C)C=CF;DZDJAAFGTRPPRG-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108995;MM108995;CC=CC(C)=C(C)F;LVNKWGJXZKYELR-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108996;MM108996;CC(F)=C(C)C=CF;CYUIGKKSSKMMIT-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108997;MM108997;CC=CC(C)=C(F)F;JUPBABWNKGQZGD-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108998;MM108998;CC(C=CF)=C(F)F;GYFSTKJPQBWYAV-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM108999;MM108999;CC=CC(F)=C(C)C;MXDPRDYRFBRNDL-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109000;MM109000;CC(C)=C(F)C=CF;HWNQBWQLIQOOLE-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109001;MM109001;CC=CC(F)=C(C)F;AXQPRGNDPPWTRW-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109002;MM109002;CC=CC(F)=C(F)F;GINRQJQYVSIGAP-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109003;MM109003;CC(C)=C(C)C=NN;ZRHMUTQVPCKZRR-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109004;MM109004;CC(F)=C(C)C=NN;MCWXGEUJDNDRPT-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109005;MM109005;CC(F)=C(C)C=NO;SPBIWCLNSHNVSK-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109006;MM109006;CCC(C=NO)=C(N)N;FQGRDAKOESIBKY-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109007;MM109007;CC(C=NN)=C(F)F;LZMITHORWORXHL-UHFFFAOYSA-N;120.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109008;MM109008;CC(C)=C(F)C=NN;IKONOEZKTIVNGK-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109009;MM109009;CC(C)=C(F)C=NO;ACSASARCONLVIX-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109010;MM109010;CC(F)=C(F)C=NN;HPVLQOIXGOQYPC-UHFFFAOYSA-N;120.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109011;MM109011;NN=CC(F)=C(F)F;IWGQUWAWSFIGII-UHFFFAOYSA-N;124.07;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109012;MM109012;Cn1ncc(=O)c(O)n1;XKFVHAYLRAHQRI-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109013;MM109013;CC#CC(C)=C(C)C;IMUHJBNPWRDCBC-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109014;MM109014;CC#CC(C)=C(C)F;ZZNVCEVGHZPDMI-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109015;MM109015;CC#CC(C)=C(F)F;YPKJEDGADFFZKC-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109016;MM109016;CC#CC(F)=C(C)C;PKGUJBQEURFSIN-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109017;MM109017;CC#CC(F)=C(C)F;WZDHYRYRSRLSBK-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109018;MM109018;CC#CC(F)=C(F)F;GLTTZCCTKSZGDF-UHFFFAOYSA-N;120.07;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109019;MM109019;CC(C)C(C)C(C)C;RLPGDEORIPLBNF-UHFFFAOYSA-N;114.23;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109020;MM109020;CC(C)C(C)C(C)N;MXXPDAXFPXOUBG-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109021;MM109021;Cc1c(O)nc(N)n1C;LHPZFPKCIDYHQT-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109022;MM109022;CC(C)C(C)C(C)F;FTEHLRGODYTDRS-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109023;MM109023;CC(C)C(C)C(F)F;XFSWVFDULBAQGP-UHFFFAOYSA-N;122.16;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109024;MM109024;CC(N)C(C)C(F)F;GVSZJIQSOQMARR-UHFFFAOYSA-N;123.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109025;MM109025;CC(O)C(C)C(F)F;YHYMCVUXRHXYQF-UHFFFAOYSA-N;124.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109026;MM109026;CC(C(F)F)C(F)F;ZJDRXGRWXULNPB-UHFFFAOYSA-N;130.08;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109027;MM109027;CC(C)C(N)C(C)O;FIRTUOPMCHUEIX-UHFFFAOYSA-N;117.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109028;MM109028;CC(N)C(N)C(C)F;WXUBETILXARGFK-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109029;MM109029;CC(O)C(N)C(C)O;MNJSHSJTEZTDMR-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109030;MM109030;CC(O)C(N)C(C)F;KGNNHNPEHKPMAC-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109031;MM109031;CC(F)C(N)C(F)F;CCFVNWCPKZZOES-UHFFFAOYSA-N;127.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109032;MM109032;CC1N=C(NO)CC1=O;PZPNUNXTLHKPTB-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109033;MM109033;CC(C)C(O)C(C)F;WMBFKSQGGHDRNZ-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109034;MM109034;CC(C)C(O)C(F)F;LLRQYQBSCRTYGR-UHFFFAOYSA-N;124.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109035;MM109035;CC(N)C(O)C(C)N;OSQCEMOJHDKFJY-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109036;MM109036;CC(N)C(O)C(C)O;ZBFALJJKZKNBHU-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109037;MM109037;CC(O)C(O)C(C)O;JJAIIULJXXEFLV-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109038;MM109038;CC(O)C(O)C(C)F;VWNIYQRKASMKGN-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109039;MM109039;CC(C)C(F)C(C)C;FVYPVXYKXOJQFK-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109040;MM109040;CC(C)C(F)C(C)O;OIMHNHOIIQCPQW-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109041;MM109041;CC(C)C(F)C(C)F;YZSZJUYQOVCVLE-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109042;MM109042;CC(C)C(F)C(F)F;ZYNJDCDJKAZTFJ-UHFFFAOYSA-N;126.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109043;MM109043;CC(N)C(F)C(C)F;NAISTRJAQHMZED-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109044;MM109044;CC(O)C(F)C(C)F;NOQUUMLLZJCPKA-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109045;MM109045;CC(F)C(F)C(C)F;NEIURQSSAYQWKM-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109046;MM109046;CC(C)C(C)N(C)C;FWBCYOHCOBOARU-UHFFFAOYSA-N;115.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109047;MM109047;CC(C)N(C)C(C)C;ISRXMEYARGEVIU-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109048;MM109048;C=C(C)C(C)C(C)C;FAWUHEYSSPPNSH-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109049;MM109049;CC(C)C(C)C(=N)N;UVMXSOQUOROXQN-UHFFFAOYSA-N;114.19;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109050;MM109050;CC(C)C(C)C(=O)O;XFOASZQZPWEJAA-UHFFFAOYSA-N;116.16;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109051;MM109051;C=C(F)C(C)C(C)C;UHZAJVSWHKAKIM-UHFFFAOYSA-N;116.18;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109052;MM109052;C=C(C)C(C)C(C)N;VBUPLFWGRNRRQS-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109053;MM109053;CC(N)C(C)C(=N)N;DVVFDAZSSNDSCK-UHFFFAOYSA-N;115.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109054;MM109054;CC(N)C(C)C(N)=O;PGQOYVIJSJOJKJ-UHFFFAOYSA-N;116.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109055;MM109055;ON=C1CC(CF)NN1;NJGVFDQGAVTJHQ-UHFFFAOYSA-N;133.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109056;MM109056;CC(O)C(C)C(=N)N;QCQXCECVCYHVSS-UHFFFAOYSA-N;116.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109057;MM109057;CC(O)C(C)C(N)=O;UCIWNXWUSSIVLE-UHFFFAOYSA-N;117.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109058;MM109058;C=C(C)C(C)C(C)F;IHUPQDYFFGNAQE-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109059;MM109059;CC(=O)C(C)C(C)F;VSPPNHBYYQQASL-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109060;MM109060;C=C(F)C(C)C(C)F;GKPGSMMRFXBBHL-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109061;MM109061;CC(=O)C(C)C(F)F;KDXYUPVYNCWSST-UHFFFAOYSA-N;122.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109062;MM109062;CC(C(=N)N)C(F)F;DNBCEOUDYAPGOZ-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109063;MM109063;CC(C(=O)O)C(F)F;YOXRUZDLBQQVTO-UHFFFAOYSA-N;124.09;0.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109064;MM109064;C=C(F)C(C)C(F)F;HSEDRHORRUQGGA-UHFFFAOYSA-N;124.11;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109065;MM109065;CC(C)C(N)C(=N)N;XVRUYJOXCWJQFI-UHFFFAOYSA-N;115.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109066;MM109066;CC(C)C(N)C(N)=O;XDEHMKQLKPZERH-UHFFFAOYSA-N;116.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109067;MM109067;CC(N)C(N)C(=N)N;UPNHFMJHOWOITA-UHFFFAOYSA-N;116.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109068;MM109068;CC(N)C(N)C(N)=O;UWYKWKXLAZUZAN-UHFFFAOYSA-N;117.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109069;MM109069;C=C(F)C(N)C(C)N;SNDNMJAUUWMLQM-UHFFFAOYSA-N;118.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109070;MM109070;CC(O)C(N)C(=N)N;ZWQQJVZQKCDKBV-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109071;MM109071;CC=NNC=CC=NO;DIIZQGKOXGQDLC-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109072;MM109072;C=C(F)C(N)C(F)F;KRGNQRUKJKAMQC-UHFFFAOYSA-N;125.09;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109073;MM109073;CN(C)N=C(NO)NC=O;MJHZENUCTRKRHA-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109074;MM109074;CC(N)C(O)C(=N)N;IIMRFPGPGNXTTN-UHFFFAOYSA-N;117.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109075;MM109075;CC(N)C(O)C(N)=O;YSXJDUWHWWHRLI-UHFFFAOYSA-N;118.14;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109076;MM109076;C=C(C)C(O)C(C)O;AMJPPHLDLJHJPF-UHFFFAOYSA-N;116.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109077;MM109077;CC(O)C(O)C(=N)N;HMDWBFQRZJTJIQ-UHFFFAOYSA-N;118.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109078;MM109078;CC(O)C(O)C(N)=O;LTMJJNPVAMLQGV-UHFFFAOYSA-N;119.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109079;MM109079;C=Cn1nc(N)n(O)c1=O;ZQROLWCMBDDEGR-UHFFFAOYSA-N;142.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109080;MM109080;CC(F)C(O)C(=N)N;KQKSURZNBAMCIB-UHFFFAOYSA-N;120.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109081;MM109081;CC(=O)C(O)C(F)F;NLGUQWGEORIGPL-UHFFFAOYSA-N;124.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109082;MM109082;N=C(N)C(O)C(F)F;FVAXJCZKKLOLRJ-UHFFFAOYSA-N;124.09;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109083;MM109083;NC(=O)C(O)C(F)F;VLLNJCTXRFSOJA-UHFFFAOYSA-N;125.07;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109084;MM109084;C=C(F)C(O)C(F)F;BGIAMWJGRAQHAM-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109085;MM109085;C=C(C)C(F)C(C)C;IIASOHXLJSSLGW-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109086;MM109086;CC(=O)C(F)C(C)C;CZNZLFIBIUBTRS-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109087;MM109087;CC(C)C(F)C(N)=O;WZZBRASCSMZVPQ-UHFFFAOYSA-N;119.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109088;MM109088;CC(C)C(F)C(=O)O;DPPSUGSPUHMWEH-UHFFFAOYSA-N;120.12;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109089;MM109089;C=C(F)C(F)C(C)N;WGTQVDKHEFELKX-UHFFFAOYSA-N;121.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109090;MM109090;C=C(C)C(F)C(C)O;GVNYEWKAMHSLAD-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109091;MM109091;CC(O)C(F)C(N)=O;ZNRNPMIMQMDLSX-UHFFFAOYSA-N;121.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109092;MM109092;C=C(F)C(F)C(C)O;VZXVTUKQYQJPNU-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109093;MM109093;C=C(C)C(F)C(C)F;SEHITWYKQNBREG-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109094;MM109094;CC(=O)C(F)C(C)F;CSBUMPXXNLGZGP-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109095;MM109095;CC(F)C(F)C(=O)O;DPQNACVZFRNLJO-UHFFFAOYSA-N;124.09;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109096;MM109096;C=C(F)C(F)C(C)F;KXDWMBVOKQOXHV-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109097;MM109097;C=C(C)C(F)C(F)F;JEGQIOBOSGQADI-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109098;MM109098;CC(C(=N)N)N(C)C;FYVYGSVWZLJUET-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109099;MM109099;C=C(C)C(C)C(=C)C;AFQPKTBBNYINMQ-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109100;MM109100;C=C(C)C(C)C(=C)F;FSMSZGMOXXLFLP-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109101;MM109101;CC(C(=N)N)C(=N)N;LHBHDLAQXTUFNF-UHFFFAOYSA-N;114.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109102;MM109102;CC(C(=N)N)C(N)=O;RCXODDRGOCSKOZ-UHFFFAOYSA-N;115.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109103;MM109103;CC(C(N)=O)C(N)=O;CGRKYGKHZOCPSZ-UHFFFAOYSA-N;116.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109104;MM109104;Cn1cnc(=O)[nH]c1=O;NPRMJPOPXSWHBL-UHFFFAOYSA-N;127.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109105;MM109105;C=C(F)C(C)C(=O)O;LVGZHIMXRIPKSX-UHFFFAOYSA-N;118.11;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109106;MM109106;C=C(F)C(C)C(=C)F;SGCZZJQYARLGBF-UHFFFAOYSA-N;118.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109107;MM109107;C=C(C)C(N)C(=N)N;DJHGEULPUDMAPF-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109108;MM109108;N=C(N)C(N)C(=N)N;XBWGRXVBMUJFKL-UHFFFAOYSA-N;115.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109109;MM109109;N=C(N)C(N)C(N)=O;UDMVDBBCSGOEFJ-UHFFFAOYSA-N;116.12;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109110;MM109110;N=CN=C(NC=O)NC=O;NSUIWTHRYGXDIO-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109111;MM109111;C=C(C)C(O)C(=N)N;QVECXRPPBMACIN-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109112;MM109112;CC(=O)C(O)C(=N)N;AACCTZJILRLVDU-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109113;MM109113;CC(=O)C(O)C(N)=O;IRORCSXSVUXWLD-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109114;MM109114;N=C(N)C(O)C(N)=O;ZUAAKCILUTVSRU-UHFFFAOYSA-N;117.11;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109115;MM109115;C=C(F)C(O)C(=N)N;UFLLURUFNFXUEY-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109116;MM109116;NC(=O)C(O)C(N)=O;KGRJVKVOAVFJJS-UHFFFAOYSA-N;118.09;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109117;MM109117;N#Cc1cc(=NO)o[nH]1;OPGRQOZJMYDEBV-UHFFFAOYSA-N;125.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109118;MM109118;C=C(F)C(O)C(N)=O;CFKXWPMTYWFJKS-UHFFFAOYSA-N;119.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109119;MM109119;O=c1oc2nc(O)[nH]c2o1;GCXKUMCYMRAWLN-UHFFFAOYSA-N;142.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109120;MM109120;C=C(C)C(F)C(=C)C;CZLOOJAYSDTEHO-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109121;MM109121;C=C(F)C(F)C(N)=O;ALBIVKHYRRJPAR-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109122;MM109122;CC(=O)N(C)C(C)=O;ZNQFZPCFVNOXJQ-UHFFFAOYSA-N;115.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109123;MM109123;CC(=O)N(C)C(=N)N;ZTIBYZXNAOUSDG-UHFFFAOYSA-N;115.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109124;MM109124;CC(=N)N(N)C(=N)N;PYCQNBJIIPZRRJ-UHFFFAOYSA-N;115.14;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109125;MM109125;CC(=O)N(N)C(C)=O;UCFXDDIPFRIIFO-UHFFFAOYSA-N;116.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109126;MM109126;CC(=O)N(N)C(=N)N;WXQYBLIXPBKXQZ-UHFFFAOYSA-N;116.12;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109127;MM109127;N#CCc1cn(O)c(N)n1;JXCNHJUBBGJHTI-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109128;MM109128;C=C(C(C)C)C(C)C;GIBPFTYFAOOKOV-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109129;MM109129;C=C(C(C)C)C(C)N;BZJIMKAXOIUMCI-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109130;MM109130;C=NN(C)C(=NN)NC=O;QSZQWJAQNZXMMI-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109131;MM109131;C=C(C(C)C)C(C)F;JIXUNMSYZCXHCY-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109132;MM109132;C=C(C(C)C)C(F)F;RZJWMJQAGYTNET-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109133;MM109133;C=C(C(C)N)C(F)F;KDPIMJQKGKINBN-UHFFFAOYSA-N;121.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109134;MM109134;C=C(C(C)O)C(C)F;KPESVAGKIBXFSI-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109135;MM109135;C=C(C(C)O)C(F)F;DGFKJBOLYZAFJT-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109136;MM109136;C=C(C(C)F)C(F)F;QVPOXLBEKUSBTB-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109137;MM109137;CC(C)C(=O)C(C)C;HXVNBWAKAOHACI-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109138;MM109138;CC(C)C(=O)C(C)F;AOSFLBCUFWDEHG-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109139;MM109139;CC(C)C(=O)C(F)F;UHUVIZZGMDNTKB-UHFFFAOYSA-N;122.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109140;MM109140;CC(F)C(=O)C(C)F;GFVWXVJEUISAQT-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109141;MM109141;CC(N)C(=N)N(C)C;GJDGEBJHIYOVIB-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109142;MM109142;CC(N)C(=N)N(C)O;NRVJWELCHAGDLF-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109143;MM109143;CC(O)C(=N)N(C)C;VLKKHGPEHYEMBD-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109144;MM109144;CC(F)C(=N)N(C)C;GIYHJVCRJLZUQB-UHFFFAOYSA-N;118.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109145;MM109145;CC(O)C(=O)N(C)C;YEBLAXBYYVCOLT-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109146;MM109146;CCC(CCC=NO)=NN;HNUPPZWCEXSSJJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109147;MM109147;C=C(C)C(=C)C(C)C;HMWCQCYUKQZPRA-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109148;MM109148;C=C(C(C)=O)C(C)C;BPRFWXBZSAFSNQ-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109149;MM109149;C=C(C(=N)N)C(C)C;NCJPAVDEYKXBLS-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109150;MM109150;C=C(C(=O)O)C(C)C;MBRVKEJIEFZNST-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109151;MM109151;C=C(F)C(=C)C(C)C;IYIUDEYPSCPNGD-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109152;MM109152;C=C(C)C(=C)C(C)N;OUJSTKZUPGGKPZ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109153;MM109153;C=C(C(=N)N)C(C)N;LKQKNWIZDZFZDX-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109154;MM109154;C=C(C(N)=O)C(C)N;JMJJQQHVCUKHOI-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109155;MM109155;C=C(F)C(=C)C(C)N;DIWZIINOCPTWMT-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109156;MM109156;N#CCC1=CC(=NO)NC1;QAYJPUDDJKNUGY-UHFFFAOYSA-N;137.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109157;MM109157;C=C(C(=N)N)C(C)O;ZZBYPQLNHXYPKZ-UHFFFAOYSA-N;114.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109158;MM109158;C=C(F)C(=C)C(C)O;BDXJFBQSVKCEND-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109159;MM109159;C=C(C)C(=C)C(C)F;RSGYCWSTVAVIDZ-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109160;MM109160;C=C(C(C)=O)C(C)F;MKJIBBWOSJAVDI-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109161;MM109161;C=C(F)C(=C)C(C)F;SFNJTDQLZKELBL-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109162;MM109162;C=C(C)C(=C)C(F)F;PERUBOBPBMHEIO-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109163;MM109163;C=C(C(C)=O)C(F)F;DZROGZLZLCYMBU-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109164;MM109164;C=C(F)C(=C)C(F)F;OALOHYDGDFEJBK-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109165;MM109165;C=C(C)C(=O)C(C)C;UOJLCZCVCRDIHL-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109166;MM109166;C=C(F)C(=O)C(C)C;RSJQTGXKSMGYKH-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109167;MM109167;CN1OC(=O)CC1=N;PEGHUWVSSATLIH-UHFFFAOYSA-N;114.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109168;MM109168;CC(O)C(=O)C(N)=O;DYVGLKHUKKESRI-UHFFFAOYSA-N;117.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109169;MM109169;N#Cc1cc(=O)n(O)n1O;OXOXKZLXEGUFMG-UHFFFAOYSA-N;141.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109170;MM109170;C=C(C)C(=O)C(C)F;TXLQCTGJDJBKIT-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109171;MM109171;CC(F)C(=O)C(N)=O;PBJQGXVLTZNFSI-UHFFFAOYSA-N;119.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109172;MM109172;C=C(F)C(=O)C(C)F;UNSRMULOKBXRNZ-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109173;MM109173;C=C(C)C(=O)C(F)F;ZOHRQAGXSMQCNQ-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109174;MM109174;C=C(F)C(=N)N(C)C;VROWKUBVQFLBIR-UHFFFAOYSA-N;116.14;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109175;MM109175;CN(O)C(=N)C(=N)N;WBKTYXNBWSKLFT-UHFFFAOYSA-N;116.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109176;MM109176;CN=C1CC(=O)ON1;LUYRJSDPDUUBMJ-UHFFFAOYSA-N;114.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109177;MM109177;C#Cc1cn(O)n(O)c1=O;QIVASVKKHRHVPK-UHFFFAOYSA-N;140.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109178;MM109178;C=C(F)C(=O)N(C)C;ZRVOHBKNYRLFMJ-UHFFFAOYSA-N;117.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109179;MM109179;C=C(C)C(=C)C(=C)C;VEQREMYKCTVICX-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109180;MM109180;CONC(=NN)NC=O;NBRXVABGJVRRQX-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109181;MM109181;C=C(C)C(=C)C(=O)O;NQXWSHNXUOTYBA-UHFFFAOYSA-N;112.13;1.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109182;MM109182;C=C(C)C(=C)C(=C)F;TYQZVNUPZRXJGX-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109183;MM109183;CC1C(=O)CC(=N)N1O;VGNLBSJOABNYEB-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109184;MM109184;C=C(F)C(=C)C(C)=O;RPWKAODBRBWXMD-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109185;MM109185;C=C(F)C(=C)C(=O)O;YMBLHVUVRANDCD-UHFFFAOYSA-N;116.09;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109186;MM109186;C=C(F)C(=C)C(=C)F;GMXFAABMKQUDEB-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109187;MM109187;C=C(C)C(=O)C(=C)C;WQMWHMMJVJNCAL-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109188;MM109188;C=C(C)C(=O)C(=C)F;GMEUIRVFTWEETD-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109189;MM109189;Cc1nc(CO)cn1O;POSXPJSXMKRFEY-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109190;MM109190;CC(=O)C(=O)C(N)=O;PJPKLOKXVZUQQB-UHFFFAOYSA-N;115.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109191;MM109191;CC(=O)C(=O)C(=O)O;WYIVDYGTKGEJLC-UHFFFAOYSA-N;116.07;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109192;MM109192;C=C(F)C(=O)C(=N)N;BHUQWCSRQCDWIX-UHFFFAOYSA-N;116.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109193;MM109193;C=Cc1cc(O)c(F)o1;CWHRVGOTLVRLSS-UHFFFAOYSA-N;128.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109194;MM109194;C=C(F)C(=O)C(N)=O;SCTIXSPBAFIRBW-UHFFFAOYSA-N;117.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109195;MM109195;C=C(F)C(=O)C(=C)F;KLUSADBBTWZJOC-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109196;MM109196;CC(C)=C(C)C(C)C;SZFRZEBLZFTODC-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109197;MM109197;CC(F)=C(C)C(C)C;INCRIQICEXBXSX-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109198;MM109198;CC(=C(F)F)C(C)C;UVBIKGYDSZCXJW-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109199;MM109199;CC(C)=C(C)C(C)N;MSNATYRTZRQRDW-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109200;MM109200;CC(=C(F)F)C(C)N;ISKQLJOYYNFRKE-UHFFFAOYSA-N;121.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109201;MM109201;CC(C)(O)C(N)=CC=NO;FPQBKKJRUPOQCL-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109202;MM109202;CC(=C(F)F)C(C)O;AVVHDBCCTNYXDS-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109203;MM109203;CC(C)=C(C)C(C)F;MENZOYNDJQKZAR-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109204;MM109204;CC(F)=C(C)C(C)F;ZXAWEFXCVDLHRI-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109205;MM109205;CC(F)=C(C)C(F)F;MTXRBLWTEZAHGJ-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109206;MM109206;CC(=C(F)F)C(F)F;UHFBOQDBBVRSGL-UHFFFAOYSA-N;128.07;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109207;MM109207;CC(C)=C(F)C(C)C;NZSJXJJPLMNOFZ-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109208;MM109208;CC(F)=C(F)C(C)C;BVPTWMWBALMFQU-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109209;MM109209;CC(C)=C(F)C(C)O;BXAOKFIGXRKBAN-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109210;MM109210;CC(C)=C(F)C(C)F;IIBCKWSZVPBXJL-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109211;MM109211;CC(F)=C(F)C(C)F;LZEREWMLJFCAHL-UHFFFAOYSA-N;124.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109212;MM109212;C=C(C)C(C)=C(C)C;CUAOCFVIXYPQCH-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109213;MM109213;C=C(C)C(C)=C(C)F;CVURTVDNJGEIJE-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109214;MM109214;C=C(C)C(C)=C(F)F;JWSQKNWGKPKJCD-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109215;MM109215;C=NN=CNC(=O)NNC;RKRQPWXGQADKIS-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109216;MM109216;CC(=O)C(C)=C(F)F;ZEUABDDNDLIPAT-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109217;MM109217;CC(N)=C(C)C(=N)N;ZSVAETRQDDMNAD-UHFFFAOYSA-N;113.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109218;MM109218;CC(F)=C(C)C(=N)N;AEJKLMQHITZPCE-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109219;MM109219;CC(C(=N)N)=C(N)N;MOILNDSTLLJSHM-UHFFFAOYSA-N;114.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109220;MM109220;CC#CC(=N)N(C)C=NO;IZEPSRNGRLNJHD-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109221;MM109221;CC(C(N)=O)=C(F)F;WPIDHKBPPSRSQF-UHFFFAOYSA-N;121.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109222;MM109222;CCc1oc(O)c(O)c1F;VYYLZSLJBQKOGQ-UHFFFAOYSA-N;146.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109223;MM109223;CC(C(=O)O)=C(F)F;LYFOSNDRAFBHET-UHFFFAOYSA-N;122.07;1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109224;MM109224;C=C(F)C(C)=C(C)C;HMMJNUXRLYZRGV-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109225;MM109225;C=C(F)C(C)=C(C)F;VGMVTQARURDHEZ-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109226;MM109226;C=C(F)C(C)=C(F)F;SAQJBBIUVNKTRN-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109227;MM109227;C=C(C)C(F)=C(C)C;PCUDQZZUBPHJOK-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109228;MM109228;C=C(C)C(F)=C(C)F;KJZBFUHSSDLXRC-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109229;MM109229;CC(=O)C(F)=C(C)F;HSVZGXGFJZETGV-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109230;MM109230;CC(=O)C(F)=C(F)F;CSGMSIADSCCRNO-UHFFFAOYSA-N;124.06;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109231;MM109231;CC(C)=C(F)C(N)=O;BTOBKVCRPCGAMB-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109232;MM109232;CC(F)=C(F)C(N)=O;LJTHIZSDMARJOV-UHFFFAOYSA-N;121.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109233;MM109233;CC(C)=C(F)C(=O)O;RHPSOCYWHMIVLQ-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109234;MM109234;CC(F)=C(F)C(=O)O;WKBGOZPPIOQEQG-UHFFFAOYSA-N;122.07;1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109235;MM109235;O=C(NO)C(CO)=NO;MIZXLZWJWUOQBH-UHFFFAOYSA-N;134.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109236;MM109236;C=C(F)C(F)=C(C)C;XESABOPYSVYPNJ-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109237;MM109237;C=C(F)C(F)=C(C)F;TURCQPMWERSOPI-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109238;MM109238;C#CCC1(C)CCC1;NZXIZHJYXFHHSI-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109239;MM109239;C#CCC1(N)CCC1;WSOPDKBLZUQYBI-UHFFFAOYSA-N;109.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109240;MM109240;CC(O)C(=N)N(N)C=NO;NMJJJGVMUSRHHV-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109241;MM109241;C#CCC1(C)CNC1;WDMCMRMIBGIEDD-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109242;MM109242;C#CCC1(N)CNC1;MRVQRNHBZNINRY-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109243;MM109243;C#CCC1(O)CNC1;VXBXLUISCYILLJ-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109244;MM109244;C#CCC1(C)COC1;GVMMMWXPJDCDJX-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109245;MM109245;C#CCC1(N)COC1;OKUVLMWLKLGESC-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109246;MM109246;C#CCC1(C)CCN1;KDKWHIPOPLTMQS-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109247;MM109247;C#CCC1(C)CCO1;YZSREXQCRXPEAE-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109248;MM109248;CC=CC1(C)CCC1;KLWUXOQRKHZVHA-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109249;MM109249;CC=CC1(N)CCC1;AMBJUIYUPISWCX-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109250;MM109250;CCN(O)C(=N)C(C)=NO;RTOXMXDRIKTEEG-UHFFFAOYSA-N;145.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109251;MM109251;CC=CC1(C)CNC1;XGWSYTCUBDTJEX-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109252;MM109252;CC=CC1(N)CNC1;BTROKGMMWQRARK-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109253;MM109253;CC=CC1(C)COC1;CHUDUYNRWUCVST-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109254;MM109254;CC=CC1(N)COC1;XKQKBXDYEIBYPI-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109255;MM109255;CC=CC1(C)CCN1;AIBFDWXCFSBNRS-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109256;MM109256;CC=CC1(C)CCO1;HVVDAAYNVFKJNQ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109257;MM109257;CC#CC1(C)CCC1;IZKLRTNYPQKPJV-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109258;MM109258;CC#CC1(N)CCC1;LFSLAAXHAZSIQY-UHFFFAOYSA-N;109.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109259;MM109259;CC#CC1(O)CCC1;GJYPYRSJCOYZMU-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109260;MM109260;CC#CC1(F)CCC1;AXQQDPBJHJQDQX-UHFFFAOYSA-N;112.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109261;MM109261;CC#CC1(C)CNC1;FUGHGHWTNVDRRS-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109262;MM109262;CC#CC1(N)CNC1;WMMMLQGQBNJNPL-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109263;MM109263;CC#CC1(C)COC1;YCYFVJKEMCNGPR-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109264;MM109264;CC#CC1(O)COC1;VANYOBWTPNEUCA-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109265;MM109265;CC#CC1(F)COC1;AHXPGKMVAWPSSH-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109266;MM109266;CC#CC1(C)CCN1;MOLVKJFTBZWOCD-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109267;MM109267;CC#CC1(C)CCO1;DQLHYTXNIVXGPW-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109268;MM109268;CCCC1(C)CC1C;GWVCBOCAFMSUSO-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109269;MM109269;CC1CC1(C)CCN;UYRHQFCBUOXVED-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109270;MM109270;C=CN(C=NO)C=NC=N;CXQFADUZWCAHPJ-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109271;MM109271;CC1CC1(C)CCF;YPRDFUPVBMKCJJ-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109272;MM109272;CCCC1(C)CC1N;JAEZLUVYMBEHPL-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109273;MM109273;CC1(CCN)CC1N;XEDYEKZUPRYENF-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109274;MM109274;CC1(CCO)CC1N;LCMWSUTVCONEKR-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109275;MM109275;CC1(CCF)CC1N;PKRDPADAOMBXTR-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109276;MM109276;CCN=C(N)C(C=O)=NO;OXVQXTPICVKHDN-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109277;MM109277;CC1(CCN)CC1O;OAJXIFDGDGTJST-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109278;MM109278;CC1(CCO)CC1O;RNIMASLWDUNDNY-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109279;MM109279;CCCC1(C)CC1F;KDEVABWUCNPOIH-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109280;MM109280;CC1(CCN)CC1F;RIAIHCWWLSDKPZ-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109281;MM109281;CC1(CCO)CC1F;IGYBCWGKBMJQQX-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109282;MM109282;CC1(CCF)CC1F;FIRHEZIZTPHGDU-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109283;MM109283;CCCC1(N)CC1C;WGTKUEFUVMYWOM-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109284;MM109284;CC1CC1(N)CCN;BQEJTSPARFYNIE-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109285;MM109285;CC1CC1(N)CCO;PGKGNMGFSCIFHR-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109286;MM109286;CC1CC1(N)CCF;UGUBOODSEUBRFS-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109287;MM109287;CCCC1(N)CC1N;MYUDPIWXYRVAJM-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109288;MM109288;NCCC1(N)CC1N;HGYFCWNRUSCWAI-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109289;MM109289;NC1CC1(N)CCO;NCYLLEKIYOVSTI-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109290;MM109290;NC1CC1(N)CCF;BSBZUULIJWCSBM-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109291;MM109291;CCCC1(N)CC1O;ZPGTZKLWGYVIMY-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109292;MM109292;NCCC1(N)CC1O;VUFQFVUWESIOCG-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109293;MM109293;NC1(CCO)CC1O;WPBZKUORKQWPEW-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109294;MM109294;NC1(CCF)CC1O;KOAQWDLIQOAOKI-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109295;MM109295;NC1(CCF)CC1F;QLTAEKJKOFGYQR-UHFFFAOYSA-N;121.13;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109296;MM109296;CN=C(CO)N(N)C=NO;KJQIFYJTODPLHC-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109297;MM109297;CC1CC1(O)CCN;ULPDWMQWHJXFGB-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109298;MM109298;CC1CC1(O)CCO;FJHKGZFSBAPUCL-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109299;MM109299;CC1CC1(O)CCF;YJHBASJQZPNSJU-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109300;MM109300;CCCC1(O)CC1N;FSYYBXMONLSKTL-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109301;MM109301;NCCC1(O)CC1N;XMSISBGVHCZWQC-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109302;MM109302;NC1CC1(O)CCO;BUACMAPGMFLHJW-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109303;MM109303;NC1CC1(O)CCF;SFRUBFDWLUBRCP-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109304;MM109304;CCCC1(O)CC1O;VVEWFOBDBQIVBB-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109305;MM109305;NCCC1(O)CC1O;CYRMJYNSXIFHHA-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109306;MM109306;OCCC1(O)CC1O;RYVOKESWVJLFJX-UHFFFAOYSA-N;118.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109307;MM109307;OC1CC1(O)CCF;UNWQFROKCVQCOM-UHFFFAOYSA-N;120.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109308;MM109308;OC1(CCF)CC1F;GSPJXWBDWWCFBN-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109309;MM109309;CCCC1(F)CC1C;HVSDGVKFUXSUKO-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109310;MM109310;CC1CC1(F)CCN;KYKJZIPVBOSJJO-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109311;MM109311;CC1CC1(F)CCO;GSJCPBAHBFNLKX-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109312;MM109312;CC1CC1(F)CCF;BXBDUNGUMHIOQZ-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109313;MM109313;CCCC1(F)CC1N;WMQNDOVSLOSVGI-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109314;MM109314;NC1CC1(F)CCF;MHBZJPCGHGYXRM-UHFFFAOYSA-N;121.13;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109315;MM109315;NCCC1(F)CC1O;WSMPDPIVQJLNND-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109316;MM109316;OCCC1(F)CC1O;BOTKUGFIMHLYIJ-UHFFFAOYSA-N;120.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109317;MM109317;OC1CC1(F)CCF;PUJRGOFJQKFNSS-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109318;MM109318;CNCC1(C)CC1C;GGDXPAWCZFGKME-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109319;MM109319;CNCC1(C)CC1N;PVKQXEWJZGMKQQ-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109320;MM109320;CNCC1(C)CC1O;HUENWLBGPBXCFR-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109321;MM109321;CNCC1(C)CC1F;YXWFGWFFISACPX-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109322;MM109322;CNCC1(N)CC1C;KGQVJOXECJNLIX-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109323;MM109323;CNCC1(N)CC1N;NJVLFBSCAAJCFM-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109324;MM109324;CNCC1(N)CC1O;RPWGXMIWCNOJLA-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109325;MM109325;CNCC1(N)CC1F;DLTDBAAHLKRKGV-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109326;MM109326;CNCC1(O)CC1C;INZPWYGBUMBJAD-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109327;MM109327;CNCC1(O)CC1N;BSSXODMSSIHIOP-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109328;MM109328;CNCC1(O)CC1O;MUZUIQUVFHNQCL-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109329;MM109329;CNCC1(F)CC1C;VEJPGIPFVAJMDO-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109330;MM109330;CNCC1(F)CC1N;LSRLSRNOLSRDHM-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109331;MM109331;CNCC1(F)CC1O;FVEHGFGXCZHDGQ-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109332;MM109332;COCC1(C)CC1C;GDRLZTPBVJRGNK-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109333;MM109333;COCC1(C)CC1N;HZCQEAXWMHMMJT-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109334;MM109334;COCC1(C)CC1O;FXPYZRLSJKSZIA-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109335;MM109335;COCC1(C)CC1F;HLIXMAGPMSFSDG-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109336;MM109336;COCC1(N)CC1C;RRESRKOUDILMJA-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109337;MM109337;COCC1(N)CC1N;SUXGRUXDIDJUGD-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109338;MM109338;COCC1(N)CC1O;GBICTMVHYKKXIR-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109339;MM109339;COCC1(O)CC1C;CWUNYGWBQANUCD-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109340;MM109340;COCC1(O)CC1N;NCAQUURZMOTRSB-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109341;MM109341;COCC1(O)CC1F;XPEACDGXBFKJJB-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109342;MM109342;COCC1(F)CC1C;JUJNKLYFMZGTIJ-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109343;MM109343;COCC1(F)CC1N;BPSOGIQMRMELGK-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109344;MM109344;COCC1(F)CC1O;NORBEZCKWVTTRL-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109345;MM109345;CCNC1(C)CC1C;BKGCIRBMLIGCFE-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109346;MM109346;CCNC1(C)CC1N;QOFJZGIJUBBBOL-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109347;MM109347;CCNC1(C)CC1O;WUNLNMGJJUKFRI-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109348;MM109348;CCNC1(C)CC1F;PFSFFSUHBBCDFM-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109349;MM109349;CCOC1(C)CC1C;AUBLDRBOARIUNJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109350;MM109350;CCOC1(C)CC1N;VJTAFCBSSLRXBC-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109351;MM109351;CCOC1(C)CC1O;FRDAIOWZRHCASM-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109352;MM109352;CCOC1(C)CC1F;IHVCKQJDHFPZLC-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109353;MM109353;CC1NC1(C)CCN;QHHPFOGHPDAYDG-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109354;MM109354;CNCC1(C)NC1C;DZWNUGITJIWMRJ-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109355;MM109355;CCCC1(C)OC1C;JXAAIDLELCIKNF-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109356;MM109356;CC1OC1(C)CCN;CDRPMZWPCSLBOU-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109357;MM109357;CC1OC1(C)CCO;XCBJIVWFBYWQKW-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109358;MM109358;CC1OC1(C)CCF;QNRCBKABPCDDLI-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109359;MM109359;CNCC1(C)OC1C;WODCOHPBNPJOAA-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109360;MM109360;COCC1(C)OC1C;FXWMIDDGOVVRBT-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109361;MM109361;CN1CC1(C)CCN;YFWCBVGNBMULJE-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109362;MM109362;CNCC1(C)CN1C;GUSSNQLRTZYWDP-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109363;MM109363;COCC1(C)CN1C;RRQVUDPQGZTFRU-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109364;MM109364;C=CCC1(C)CC1C;UFJVRQALUOUBPJ-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109365;MM109365;CC1CC1(C)CC=O;GMRGWHOCRODCOI-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109366;MM109366;CC1CC1(C)CC#N;FJXBNPQOYWAKAT-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109367;MM109367;C=CCC1(C)CC1N;RTRRIFSCJODZPE-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109368;MM109368;CC=CN1C=NC(=NO)C1;IQRWRNOGNSJWSQ-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109369;MM109369;CC1(CC=O)CC1O;VHPFQKNSIKAVLJ-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109370;MM109370;CC1(CC#N)CC1O;NLDJUEOGULSSQD-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109371;MM109371;C=CCC1(C)CC1F;MEXZTBFXKACOGG-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109372;MM109372;CC1(CC=O)CC1F;XCNOOFNFRNJYQE-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109373;MM109373;CC1(CC#N)CC1F;OWFIWPAXOQZLEZ-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109374;MM109374;C=CCC1(N)CC1C;HNVQOPILQUMQDS-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109375;MM109375;C=CCC1(N)CC1N;GWHUJBUIMAUROS-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109376;MM109376;C=CCC1(N)CC1O;HTGVKQFQCKYQEN-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109377;MM109377;C=CCC1(N)CC1F;UGSVXJUBGQDANT-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109378;MM109378;ON=C1C=CC(=CF)CN1;DDLQWQUMTRUIOS-UHFFFAOYSA-N;142.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109379;MM109379;CC1CC1(O)CC=O;GVPMUYWQROEBMZ-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109380;MM109380;CC1CC1(O)CC#N;BLHMHZJYSSUCGA-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109381;MM109381;C=CCC1(O)CC1N;PKULPISXQNKXKM-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109382;MM109382;C=CCC1(O)CC1O;QCHJZPQZLYGXIW-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109383;MM109383;O=CCC1(O)CC1O;SQXJWFNEHNMJIX-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109384;MM109384;N#CCC1(O)CC1O;BXQLESANFWCHOW-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109385;MM109385;O=CCC1(O)CC1F;SNKBQISBXDXLHT-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109386;MM109386;N#CCC1(O)CC1F;ISBFGSCHRVCWPE-UHFFFAOYSA-N;115.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109387;MM109387;C=CCC1(F)CC1C;XBDGRZZAQNRORN-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109388;MM109388;CC1CC1(F)CC=O;ABPAFQDYLCIJJT-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109389;MM109389;CC1CC1(F)CC#N;BOSMLFTWGWZVEK-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109390;MM109390;C=CCC1(F)CC1N;AKQIMSHLMXYIQI-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109391;MM109391;C=CCC1(F)CC1O;YCWBGKFVQFUVJS-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109392;MM109392;O=CCC1(F)CC1O;DOWLOPQSZJRWFG-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109393;MM109393;N#CCC1(F)CC1O;XPQCVFFABSLDMX-UHFFFAOYSA-N;115.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109394;MM109394;O=CCC1(F)CC1F;WFSQBNHUHPKAKC-UHFFFAOYSA-N;120.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109395;MM109395;CC1CC1(C)NC=N;UYSGAPWDNREJNN-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109396;MM109396;CCn1cnc(C)c1O;VBDBZTJNPFAGKT-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109397;MM109397;CC1(NC=N)CC1N;LEWMKZPYPSIQTN-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109398;MM109398;CC1(NC=O)CC1N;JCAYLXQPNAXZNA-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109399;MM109399;CC1(NC=N)CC1O;QPFSWYCLSKSAGO-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109400;MM109400;CC1(NC=O)CC1O;PYCHCXBFAKIGSG-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109401;MM109401;CC1(NC=N)CC1F;NFIBUJNGDGJPEJ-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109402;MM109402;CC1(NC=O)CC1F;UHLWUOFCTGPXCB-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109403;MM109403;C=NNC1(C)CC1C;WXPWRJOMAHNMEX-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109404;MM109404;C=NNC1(C)CC1N;GLSBBBFDBRJXBE-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109405;MM109405;CN=C1CC(NN)=NN1;FYRXHHCMMYRHQM-UHFFFAOYSA-N;127.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109406;MM109406;C=COC1(C)CC1C;VGCRCJYMORNNGK-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109407;MM109407;CC1CC1(C)OC=O;OREULXYBPDYONH-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109408;MM109408;C=COC1(C)CC1N;QFFRBCYFUIUALY-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109409;MM109409;CC1(OC=O)CC1N;KIMIYTXDQSNOBG-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109410;MM109410;C=COC1(C)CC1O;CNNVKPVIMUPFOH-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109411;MM109411;CC1(OC=O)CC1O;CLDBKYJANQXHLU-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109412;MM109412;C=COC1(C)CC1F;LJGSFPZWCZOLKL-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109413;MM109413;CC1(OC=O)CC1F;VEOSLGOMUKYHCS-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109414;MM109414;C=NOC1(C)CC1C;CEHRSLYEODBRPW-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109415;MM109415;C=NOC1(C)CC1N;RCCZXJRNSYGTDE-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109416;MM109416;ON=C1NCC(=CF)N1;DVRYMLXKTHOGHL-UHFFFAOYSA-N;131.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109417;MM109417;C=NOC1(C)CC1F;GSXSYMBZLJZIFJ-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109418;MM109418;CC1NC1(C)CC#N;FWQYKYBTZUMRHD-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109419;MM109419;C=CCC1(C)OC1C;IEYJNIYGUYOJEE-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109420;MM109420;CC1OC1(C)CC=O;BGKVRZHBUXCQTM-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109421;MM109421;CC1OC1(C)CC#N;OESRILDCGRRIOQ-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109422;MM109422;C#CC(=O)NC(=O)NNC;TYEGRMXUJVVAEK-UHFFFAOYSA-N;141.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109423;MM109423;CN1CC1(C)CC#N;MQJYJHGQSOEGCH-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109424;MM109424;C#CCC1(C)CC1C;LNARGZJZUZVJPK-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109425;MM109425;C#CCC1(C)CC1N;BLALDFRNAZRGNK-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109426;MM109426;CC(CF)OC(=NO)NN;PXQUZOUJINTQHA-UHFFFAOYSA-N;151.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109427;MM109427;C#CCC1(C)CC1F;FJFCISJXWOSEBM-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109428;MM109428;C#CCC1(N)CC1C;KHXMCLKGWOCWGG-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109429;MM109429;C#CCC1(N)CC1N;GGENXRZMSOWXBH-UHFFFAOYSA-N;110.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109430;MM109430;C#CCC1(N)CC1O;CICLJSIIBRIGHH-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109431;MM109431;C#CCC1(N)CC1F;MGBYODFZUZLLQL-UHFFFAOYSA-N;113.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109432;MM109432;COC(C)C(N)=CC=NO;RCSCFMWFSMIQPL-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109433;MM109433;C#CCC1(O)CC1N;NHEFTQYULRGQTD-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109434;MM109434;C#CCC1(O)CC1O;HIGUGXALCDHLQX-UHFFFAOYSA-N;112.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109435;MM109435;C#CCC1(O)CC1F;UGZWQMBGDBXIND-UHFFFAOYSA-N;114.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109436;MM109436;C#CCC1(F)CC1C;UHPZTGBSQZGWBW-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109437;MM109437;C#CCC1(F)CC1N;QYRMBSODWHVJDS-UHFFFAOYSA-N;113.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109438;MM109438;C#CCC1(F)CC1O;JJFCHBZBKJOFGI-UHFFFAOYSA-N;114.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109439;MM109439;C#CCC1(C)OC1C;OZYKVFLQBVFYMA-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109440;MM109440;CC(N)C1(C)CCC1;CSAVHZDLFZCPIU-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109441;MM109441;NC=NN=CNC(=O)CO;FHYMMUGGTYVISX-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109442;MM109442;CC(C)C1(N)CCC1;PGQQYBBQCJFYBX-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109443;MM109443;CC(N)C1(N)CCC1;CSDGYYLWAYYEKY-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109444;MM109444;CC(O)C1(N)CCC1;AQPKGCIGVBYUCM-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109445;MM109445;CC(C)C1(C)CNC1;IMOVOKLNORIVJL-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109446;MM109446;CC(O)C1(C)CNC1;ZBRNXBQTNCYASI-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109447;MM109447;CC(C)C1(N)CNC1;SLXMZDKRAUJMHU-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109448;MM109448;CC(O)C1(N)CNC1;SCVVJCXQBAGKCL-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109449;MM109449;CC(O)C1(C)COC1;KNDIWOLRRBGYHQ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109450;MM109450;CC(C)C1(N)COC1;DCBZHWMKQLLNHA-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109451;MM109451;CC(N)C1(N)COC1;XCYNLKCOWSJMKP-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109452;MM109452;CC(C)C1(F)COC1;OCSGRNKWEYSOOY-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109453;MM109453;CN(C)C1(C)CCC1;RELJIWIJTXVDGN-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109454;MM109454;CN(C)C1(C)CNC1;ZUGCXQDQYRDQTR-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109455;MM109455;CC(=O)C1(C)CCC1;BCONMNLEVXRWTI-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109456;MM109456;CC1(C(=N)N)CCC1;YCXOIUCCJPIMGO-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109457;MM109457;C=C(C)C1(N)CCC1;YTLTZTAFDLXCKF-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109458;MM109458;N=C(N)C1(N)CCC1;XIYNRDYREICGIG-UHFFFAOYSA-N;113.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109459;MM109459;C#CC12CC1NC(=NO)N2;NECDPXQWCJESCV-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109460;MM109460;C=C(C)C1(F)CCC1;OGHFYHRWXHRYIU-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109461;MM109461;C=C(C)C1(C)CNC1;DGRGDUAKDIAJTF-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109462;MM109462;CC(=O)C1(C)CNC1;BCJHHJYZWQUTBG-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109463;MM109463;CC1(C(=N)N)CNC1;RVLWBHICJHQGCR-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109464;MM109464;C=C(C)C1(N)CNC1;MENYJDDCRPRMBY-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109465;MM109465;C=C(C)C1(O)CNC1;PXFFJPDARQFQRD-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109466;MM109466;CC(=O)C1(C)COC1;QDRLIWDQZUUUGX-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109467;MM109467;CC1(C(=N)N)COC1;YBTTWWJNHRBPDP-UHFFFAOYSA-N;114.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109468;MM109468;C=C(C)C1(N)COC1;KMLRIIBUQYOACB-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109469;MM109469;C=C(C)C1(F)COC1;YFPVGKYOHVWZOG-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109470;MM109470;CC(C)C1(C)CC1C;BSVGZKFAWWIIPT-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109471;MM109471;CC(N)C1(C)CC1C;LFAMLMOKNFPLOF-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109472;MM109472;C=NNC(=NN)NC=O;PUHAZUPMKVAVEJ-UHFFFAOYSA-N;129.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109473;MM109473;CC(F)C1(C)CC1C;LUZXFKIIUUADRM-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109474;MM109474;CC1CC1(C)C(F)F;ZFQGZWQILAINHC-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109475;MM109475;CC(C)C1(C)CC1N;FIFVQIHRUPUBLG-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109476;MM109476;CC(N)C1(C)CC1N;DYIHIKGXBUCEMB-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109477;MM109477;CC(O)C1(C)CC1N;MNAFLAVMYWFZPN-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109478;MM109478;CC(F)C1(C)CC1N;PHZYXFDYIKNDFM-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109479;MM109479;CC1(C(F)F)CC1N;PPKSMBYCFAVINU-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109480;MM109480;C=Cc1ncc(C)n1O;SHYZZYQHHXRHGX-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109481;MM109481;CC(N)C1(C)CC1O;LOLFKYKPSZGELJ-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109482;MM109482;CC(O)C1(C)CC1O;LLOZQCYFUSTWMR-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109483;MM109483;CC(C)C1(C)CC1F;MGLLRGLYWYASJX-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109484;MM109484;CC(C)C1(N)CC1C;WASGRJKVDSVXGV-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109485;MM109485;CC(O)C1(O)CC1N;RIYZLCVXGAXBAR-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109486;MM109486;CC(O)C1(O)CC1O;CHMAJRNPGZTMEY-UHFFFAOYSA-N;118.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109487;MM109487;CC1CC1(C)N(C)C;KMZAUEZYNLEJHZ-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109488;MM109488;CN(C)C1(C)CC1N;ZHDLQDQJJANUPU-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109489;MM109489;CN(C)C1(C)CC1O;NXQOUJGMEQUCDX-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109490;MM109490;CC(N)C1(C)NC1C;NJYHTMCHYPQZKI-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109491;MM109491;CC(F)C1(C)NC1C;ZFFVBQMSJQOVSM-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109492;MM109492;CC1NC1(C)C(F)F;OMUZBKSKHYJIGM-UHFFFAOYSA-N;121.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109493;MM109493;CC(C)C1(C)OC1C;SKBSTAQIUHXRHX-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109494;MM109494;CC(N)C1(C)OC1C;LKGPQLKYBAHJSG-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109495;MM109495;CC(O)C1(C)OC1C;NDXXUCDAXXVYLJ-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109496;MM109496;CC(F)C1(C)OC1C;BAIBVDLATCPBOI-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109497;MM109497;CC(N)C1(C)CN1C;NCXPQAQEIAJYTI-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109498;MM109498;CC(F)C1(C)CN1C;ACMWJFCNQCGWFA-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109499;MM109499;C=C(C)C1(C)CC1C;OXMCNONJOSXVCM-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109500;MM109500;CC(=O)C1(C)CC1C;ARACWWAKSSSCFY-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109501;MM109501;CC1CC1(C)C(=N)N;ZQENCTIOUKOKEI-UHFFFAOYSA-N;112.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109502;MM109502;CC1=C(N)OCC1=NO;HTJABXOVCBELON-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109503;MM109503;CC1CC1(C)C(=O)O;MMEAVAVRZYNYFB-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109504;MM109504;C=C(F)C1(C)CC1C;BLDQOLHELQARGC-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109505;MM109505;C=C(C)C1(C)CC1N;BDSNWYUGJIFXGW-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109506;MM109506;CC1(C(N)=O)CC1N;XNVKFKGJKVYIFS-UHFFFAOYSA-N;114.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109507;MM109507;C=C(F)C1(C)CC1N;RUDSRLUECCKDRU-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109508;MM109508;COC(=NO)N(C)C=N;CWNWSRICSVNFRJ-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109509;MM109509;CC1(C(=N)N)CC1O;IVGNEEMQIGFQPQ-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109510;MM109510;CC1(C(N)=O)CC1O;OROZSIUWBRBZDT-UHFFFAOYSA-N;115.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109511;MM109511;C=C(C)C1(C)CC1F;KBMGDGQFFHSZPX-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109512;MM109512;CC(=O)C1(C)CC1F;MWULWGTXXYMTKG-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109513;MM109513;CC1(C(=N)N)CC1F;LZMWGTVAYSTRHZ-UHFFFAOYSA-N;116.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109514;MM109514;CC1(C(N)=O)CC1F;MWLHWPALXUGUGM-UHFFFAOYSA-N;117.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109515;MM109515;C=C(F)C1(C)CC1F;WKJLMCXVUYXHHE-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109516;MM109516;CC1CC1(N)C(=N)N;USWHKNYMFYVMHD-UHFFFAOYSA-N;113.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109517;MM109517;C=C(C)C1(N)CC1N;AJSFPHPSXATMEW-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109518;MM109518;C=C(C)C1(C)OC1C;VJUQNQXPQXFAAM-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109519;MM109519;C=C(F)C#CC(C=O)=NO;PGGPKZWDHLZHSS-UHFFFAOYSA-N;141.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109520;MM109520;C=C(F)C1(C)CN1C;LWSWBGOZQAFSCZ-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109521;MM109521;CC1CC(C(C)C)C1;ANDSYSSDWCLMTQ-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109522;MM109522;C#CC1=CC(=NO)CN1;FGPKVEHCJMQKQO-UHFFFAOYSA-N;122.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109523;MM109523;CC1CC(C(C)F)C1;LXCJXSPBEUTZMC-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109524;MM109524;CC(C)C1CC(N)C1;DWFAIIJUKMDTLJ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109525;MM109525;CC(N)C1CC(N)C1;RWPVCIXWQSRXQX-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109526;MM109526;CC(O)C1CC(N)C1;CXSWJQCXCAIMNX-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109527;MM109527;CC(F)C1CC(N)C1;DZTVAIZZUHQJAD-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109528;MM109528;CC(F)=CN(N)C(C)=NO;RVPGPSAINVEDRR-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109529;MM109529;CC(N)C1CC(O)C1;KIWGUWLRIOXKNH-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109530;MM109530;CC(O)C1CC(O)C1;RXZNISRYACFCST-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109531;MM109531;CC(F)C1CC(O)C1;LBZGDCAXFQPBNT-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109532;MM109532;CC(C)C1CC(F)C1;HHUASGOSYLDBOK-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109533;MM109533;CC(N)C1CC(F)C1;IOMRLRQEKKTUAN-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109534;MM109534;CC(O)C1CC(F)C1;BCURGIIXKJNCBH-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109535;MM109535;CC(F)C1CC(F)C1;IIKDBDNPXLZGRD-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109536;MM109536;CC1CC(C(C)C)N1;OSQHTEJYSSIVCK-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109537;MM109537;CC1CC(C(C)N)N1;RYUBLKLSIGAOMW-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109538;MM109538;CC1CC(C(C)O)N1;WIDYWHFFNBSYBN-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109539;MM109539;CC1CC(C(C)F)N1;KSIRWEBCDNSPQP-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109540;MM109540;CC1CC(C(C)C)O1;LCRLDZVWJBUPQA-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109541;MM109541;CC1CC(C(C)N)O1;ZAQAXEUIBSFZGA-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109542;MM109542;CC1CC(C(C)O)O1;XSIFEVIKHMCDKZ-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109543;MM109543;CC1CC(C(C)F)O1;SPZJVOZYJOIMLG-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109544;MM109544;CC1CC(N(C)C)C1;BMKOQFQLAAOODU-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109545;MM109545;CN(C)C1CC(N)C1;JNMHKIHUTNBSJN-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109546;MM109546;CN(C)C1CC(O)C1;ONAWMBIBGQABHD-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109547;MM109547;CN(C)C1CC(F)C1;VNTCFNRDVRTKIH-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109548;MM109548;CC(C)C1CN(C)C1;VYIBIECWYCMAAV-UHFFFAOYSA-N;113.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109549;MM109549;CC(N)C1CN(C)C1;AJAXSJZPCWXHKD-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109550;MM109550;CC(O)C1CN(C)C1;MCGGNCUHFFNTAE-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109551;MM109551;CC(F)C1CN(C)C1;CNQWEZIACTWERB-UHFFFAOYSA-N;117.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109552;MM109552;CC1CN(C(C)C)C1;KPNYOOMMOWCAND-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109553;MM109553;C=C(C)C1CC(C)C1;LONTWVAHEIDTPC-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109554;MM109554;CC(=O)C1CC(C)C1;GSEDIGOXQBKALA-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109555;MM109555;CC1CC(C(=N)N)C1;FEMQQCIFXZNJRO-UHFFFAOYSA-N;112.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109556;MM109556;CC1CC(C(=O)O)C1;ZLXHOVJKNATDMT-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109557;MM109557;C=C(C)C1CC(N)C1;INZUYOUDUGNGRS-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109558;MM109558;N=C(N)C1CC(N)C1;JSPIKKULBDLHDJ-UHFFFAOYSA-N;113.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109559;MM109559;NC(=O)C1CC(N)C1;FABRNCRSZARATD-UHFFFAOYSA-N;114.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109560;MM109560;C=C(F)C1CC(N)C1;CHFMOQXRZZTQFT-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109561;MM109561;N=C(C=NO)N(N)CCF;ZYGSIQBTBREEDX-UHFFFAOYSA-N;148.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109562;MM109562;CC(=O)C1CC(O)C1;PVIMOZWSCYVZBM-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109563;MM109563;N=C(N)C1CC(O)C1;HOYOYTPZNWXTGL-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109564;MM109564;N#CCc1cc(F)n(O)n1;ZEYQOHWPNASECZ-UHFFFAOYSA-N;141.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109565;MM109565;C=C(F)C1CC(O)C1;HILLMAJSVAEKCD-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109566;MM109566;C=C(C)C1CC(F)C1;OAODQIYVAMQQBU-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109567;MM109567;CC(=O)C1CC(F)C1;VHQIPBSDXYHAQI-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109568;MM109568;N=C(N)C1CC(F)C1;WQFJSGWVYNATMY-UHFFFAOYSA-N;116.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109569;MM109569;NC(=O)C1CC(F)C1;BCHBOYOMJFJKCI-UHFFFAOYSA-N;117.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109570;MM109570;O=C(O)C1CC(F)C1;LQXHCYIDZUPZNK-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109571;MM109571;C=C(F)C1CC(F)C1;IKSBVQFUXAXFDD-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109572;MM109572;C=C(C)C1CC(C)N1;HMTXXHDDNZKQMU-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109573;MM109573;CC(=O)C1CC(C)N1;IDKLAPUORLPIAJ-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109574;MM109574;CC1CC(C(=N)N)N1;YZBLCDQKRACKGR-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109575;MM109575;C=C(C)C1CC(C)O1;PXULWVWTPIPKPB-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109576;MM109576;CC(=O)C1CC(C)O1;WRIUIRYVZQDVHE-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109577;MM109577;CC1CC(C(N)=O)O1;PVMYJQCLVWHVTO-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109578;MM109578;C=C(C)C1CN(C)C1;JQXBQCUTNCTXDI-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109579;MM109579;CN1CC(C(=N)N)C1;XTVOEORJDHHTIO-UHFFFAOYSA-N;113.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109580;MM109580;CC(=N)N1CC(C)C1;VPGYWNDJVCJSFK-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109581;MM109581;CC(=O)N1CC(C)C1;UBSDEIGSDJATFD-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109582;MM109582;CC1CN(C(=N)N)C1;DQGSYFHFVDNZON-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109583;MM109583;CC1CN(C(N)=O)C1;QOXJAPHWHQKZJJ-UHFFFAOYSA-N;114.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109584;MM109584;CC(=N)N1CC(N)C1;LHGNYFLPNXVFGK-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109585;MM109585;CC(=O)N1CC(N)C1;YUJHTWYBKVAQEN-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109586;MM109586;N=C(N)N1CC(N)C1;WTZJDWFKEOVSOU-UHFFFAOYSA-N;114.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109587;MM109587;NC(=O)N1CC(N)C1;WMTWYNOXCIFOJI-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109588;MM109588;CC(=N)N1CC(O)C1;FDVQVGFMXIPENV-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109589;MM109589;CC(=O)N1CC(O)C1;CSJAIVZAJZXEAW-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109590;MM109590;N=C(N)N1CC(O)C1;HCFLVJWGGSKJRF-UHFFFAOYSA-N;115.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109591;MM109591;NC(=O)N1CC(O)C1;GUXPHGONOMGJLV-UHFFFAOYSA-N;116.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109592;MM109592;CC(=N)N1CC(F)C1;NXLXXPRNZARLBY-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109593;MM109593;CC(=O)N1CC(F)C1;GUMFYZDIELTSRP-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109594;MM109594;N=C(N)N1CC(F)C1;CFODPKCTMOYXPJ-UHFFFAOYSA-N;117.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109595;MM109595;NC(=O)N1CC(F)C1;MFHXPDJCECKDTJ-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109596;MM109596;CC(C)C1CC(=O)C1;WBCYESOPLZSTIQ-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109597;MM109597;CC(C)C1CC(=O)N1;UMECPVGLNIYFEO-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109598;MM109598;CC(N)C1CC(=O)N1;MWMCOCPTPWSYAF-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109599;MM109599;CC(C)C1CC(=O)O1;RXDIFCRJKDATEB-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109600;MM109600;C=C(C)C1CC(=O)C1;WJTXEXOZRHIHQL-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109601;MM109601;CC(=O)C1CC(=O)C1;ZZPFAPOWHYYMMV-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109602;MM109602;N=C(N)C1CC(=O)C1;RKDVJMHZEGJEAA-UHFFFAOYSA-N;112.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109603;MM109603;C=C(C)C1CC(=O)N1;XXOTWUSMTUNCSI-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109604;MM109604;N=C(N)C1CC(=O)N1;QXSZOKCJRGYQMQ-UHFFFAOYSA-N;113.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109605;MM109605;C=C(C)C1CC(=O)O1;ZKIGDRMAJHDRMZ-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109606;MM109606;CC(=N)N1CC(=O)C1;FOTKOECVAHTEAH-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109607;MM109607;CC(=O)N1CC(=O)C1;XFHQLSZVGKALQW-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109608;MM109608;N=C(N)N1CC(=O)C1;GRQHWDDGXKQSBK-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109609;MM109609;NC(=O)N1CC(=O)C1;AYORXIDSDOBYGR-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109610;MM109610;C=Cc1nc(=O)c(N)n[nH]1;YFHSQPRFPNRFLK-UHFFFAOYSA-N;138.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109611;MM109611;Nc1nnc(N)c(=O)[nH]1;HSERHWLXKUQBLZ-UHFFFAOYSA-N;127.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109612;MM109612;ON=c1c(O)con1O;MKCXDMWODCMACL-UHFFFAOYSA-N;132.08;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109613;MM109613;N=c1nnoc(=N)[nH]1;FQRXBRLNKZVTPB-UHFFFAOYSA-N;113.08;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109614;MM109614;Cc1on(O)c(=NO)c1O;DIFKQEMUIJCIRI-UHFFFAOYSA-N;146.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109615;MM109615;Cc1c(O)nn(C)c1C;CGNLITUXFQASMN-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109616;MM109616;O=c1nnoc(=O)[nH]1;ZRRITNJRSKESCE-UHFFFAOYSA-N;115.05;-1.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109617;MM109617;O=c1cc[nH]c(=O)o1;WQAIPNTUCFSZRZ-UHFFFAOYSA-N;113.07;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109618;MM109618;Oc1cc[nH]n1;XBYRMPXUBGMOJC-UHFFFAOYSA-N;84.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109619;MM109619;Cn1[nH]c(O)c(N)c1=NO;DRUOSKAOHGGEES-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109620;MM109620;Cc1[nH]ncc1O;RGQMPSRGRDKMCX-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109621;MM109621;Nc1cn(N)c(F)c1O;MIFPSLAASSOMDR-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109622;MM109622;N=c1ccn(N)c(=O)n1O;KIJOBTAKDKMMTK-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109623;MM109623;N=c1cc[nH]c(=N)o1;KBMKAEXEQZWCKM-UHFFFAOYSA-N;111.1;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109624;MM109624;Cc1cnnc(=N)o1;KRTQINQFZNPCFD-UHFFFAOYSA-N;111.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109625;MM109625;CN(NC=O)C(=N)C=NO;WEXNJKKDHUOGHO-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109626;MM109626;Nc1nc(=O)cc(O)n1O;AKJDFHXSENHFDI-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109627;MM109627;N=c1nncc(F)o1;PIUOIJOZAXXVKL-UHFFFAOYSA-N;115.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109628;MM109628;Cc1cnnc(=O)o1;RRNUWPOUQVOMER-UHFFFAOYSA-N;112.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109629;MM109629;Nc1cnnc(=O)o1;ODVOWHMBCJCYJV-UHFFFAOYSA-N;113.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109630;MM109630;C#CCc1cc(=O)n(N)[nH]1;VMILHKQZYINVDW-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109631;MM109631;O=c1nncc(F)o1;YMXADJMGCWKSTJ-UHFFFAOYSA-N;116.05;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109632;MM109632;Cc1cc(=O)onn1;WTLJZLWFOQCCDU-UHFFFAOYSA-N;112.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109633;MM109633;Nc1cc(=O)onn1;XXTNQCVZQHBWFI-UHFFFAOYSA-N;113.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109634;MM109634;Cn1n(O)c(=N)c(=O)n1O;FYNPVIHHXVIRBX-UHFFFAOYSA-N;146.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109635;MM109635;O=c1cc(F)nno1;KWFHOVAHOKGAJM-UHFFFAOYSA-N;116.05;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109636;MM109636;CN=c1oc(F)c(O)n1C;IKBXYGMYGUXDSC-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109637;MM109637;Cn1cc(O)c(=N)nc1O;KHJMGTNWGFHSJU-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109638;MM109638;Cc1nc(=N)cno1;UZSQNDBYBWUNNH-UHFFFAOYSA-N;111.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109639;MM109639;CNNC(=O)N(C)C=NO;UWHWJWDZQITRCI-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109640;MM109640;N=c1cnoc(F)n1;SCFPVJOUTNJWFP-UHFFFAOYSA-N;115.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109641;MM109641;Cc1nc(=O)cno1;UUYBHEOLZLODRW-UHFFFAOYSA-N;112.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109642;MM109642;CC(=NC=N)N(N)C=NO;QPFIXTXADRGGSD-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109643;MM109643;COC(=O)NOC(=O)OC;ZSIQKGREMUPGJR-UHFFFAOYSA-N;149.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109644;MM109644;O=c1cnoc(F)n1;AYHZUVOHOYAADP-UHFFFAOYSA-N;116.05;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109645;MM109645;CC(C)CC1CC1C;PVGHSQMUOCRHDL-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109646;MM109646;CC(N)CC1CC1C;IJGDMULKPALOGG-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109647;MM109647;NNC(=NO)OCC(N)=O;FNTXKSCANZEPGY-UHFFFAOYSA-N;148.12;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109648;MM109648;CC(F)CC1CC1C;FLWXQXADHWCALH-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109649;MM109649;CC1CC1CC(F)F;QWINDJZFQBBTQQ-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109650;MM109650;CC(C)CC1CC1N;HWXXZFHUDLOLLG-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109651;MM109651;CC(N)CC1CC1N;ZPQPDDZAGHAVDE-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109652;MM109652;CC(O)CC1CC1N;ALYRAGCCNSUDGB-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109653;MM109653;CC(F)CC1CC1N;RXQIBZPRZFFXEO-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109654;MM109654;NC1CC1CC(F)F;RZUOOCWIDPOKPI-UHFFFAOYSA-N;121.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109655;MM109655;CON(C=O)C(=N)NC=O;KQNMODWOCAVUBY-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109656;MM109656;CC(N)CC1CC1O;KHUREVGUVPPUKV-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109657;MM109657;CC(O)CC1CC1O;FCHOGNSHBHKRRC-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109658;MM109658;CC(F)CC1CC1O;GUTAYPLCUTZIKG-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109659;MM109659;OC1CC1CC(F)F;HYKUFYBKYSCOBC-UHFFFAOYSA-N;122.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109660;MM109660;CC(C)CC1CC1F;PMSFFGPLHXLJQX-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109661;MM109661;CC(N)CC1CC1F;PKLIKZCOPGSZTG-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109662;MM109662;CC(O)CC1CC1F;XKSHSJNUWHXDHO-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109663;MM109663;CC(F)CC1CC1F;RHTKYTGYELDUMQ-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109664;MM109664;FC(F)CC1CC1F;QDFHVYOKGZNEIY-UHFFFAOYSA-N;124.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109665;MM109665;CC(C)NC1CC1C;MJXVAEYQZPPXAV-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109666;MM109666;CC(C)NC1CC1N;RXALJZRQDXARNM-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109667;MM109667;CC(C)NC1CC1O;YJGPAAIBWYYQAL-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109668;MM109668;CC(C)NC1CC1F;VLVOJBYCNBHLDJ-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109669;MM109669;CC(C)OC1CC1C;IGQHWMTZCMPXKB-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109670;MM109670;CC(C)OC1CC1N;FYVAGZKHKJHOCD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109671;MM109671;CC(C)OC1CC1O;KVKXADANUGAWFL-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109672;MM109672;CC(C)OC1CC1F;AAZCYSNMPFFKRK-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109673;MM109673;CC1CC1CN(C)C;VNOMCPMMJPDPTF-UHFFFAOYSA-N;113.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109674;MM109674;CN(C)CC1CC1N;MTPQNWBLEVTLSZ-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109675;MM109675;CN(C)CC1CC1O;INCKOESXGZEKRK-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109676;MM109676;CN(C)CC1CC1F;NCELOSORNUXDLX-UHFFFAOYSA-N;117.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109677;MM109677;CC(N)CC1NC1C;FVBSQKOHTAOCJM-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109678;MM109678;CC(C)CC1OC1C;NHOSOKTUOFENLY-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109679;MM109679;CC(N)CC1OC1C;BFJQDUKMNCHYOK-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109680;MM109680;CC(O)CC1OC1C;FKAKYTAVFPEHNH-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109681;MM109681;CC(F)CC1OC1C;WPGZMFPWANVTMX-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109682;MM109682;CC1OC1CC(F)F;NQDVJBGYPGZKAA-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109683;MM109683;CC1OC1CN(C)C;ABZZGZANVYIYNU-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109684;MM109684;CC(N)CC1CN1C;WCSGSTCBWFMCMH-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109685;MM109685;N#CCC1CNC(=NO)C1;MARQUNGZDFPWGD-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109686;MM109686;CC(F)CC1CN1C;SNFSNTCWWRNIHC-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109687;MM109687;CN1CC1CC(F)F;HMORKFNVHCQCRK-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109688;MM109688;CN(C)CC1CN1C;ZMYGJXOFGVCMRA-UHFFFAOYSA-N;114.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109689;MM109689;CC(N)CN1CC1C;MOHIMKXALCNQAE-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109690;MM109690;CC(F)CN1CC1C;BPSKYBXPYYHIHV-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109691;MM109691;CC1CN1CC(F)F;OUKMRCQRKCPZQP-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109692;MM109692;C=C(C)CC1CC1C;QOGWUVXDVKZCAQ-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109693;MM109693;CC(=O)CC1CC1C;PKMDCJHRWGCLQC-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109694;MM109694;CC1CC1CC(=N)N;RMMIOBLNZDXFLS-UHFFFAOYSA-N;112.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109695;MM109695;ON=CNC=CC#CCF;JSYLQQDCESRODN-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109696;MM109696;CC1CC1CC(=O)O;MKWZWXDSHKBYAO-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109697;MM109697;C=C(F)CC1CC1C;HZGIMWQYANUSMU-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109698;MM109698;C=C(C)CC1CC1N;DVPJJEQCEKJEJE-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109699;MM109699;N=C(N)CC1CC1N;LVGHIAKOIZGYGS-UHFFFAOYSA-N;113.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109700;MM109700;NC(=O)CC1CC1N;AWFYGDRBTONEOH-UHFFFAOYSA-N;114.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109701;MM109701;C=C(F)CC1CC1N;HCHBKGKFVRVMBQ-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109702;MM109702;C=CC1COC(=NO)CN1;SNJBGSQSJTVGCN-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109703;MM109703;CC(=O)CC1CC1O;WSASUVXDTDBTMU-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109704;MM109704;N=C(N)CC1CC1O;URVXVVWUHQXOGZ-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109705;MM109705;NC(=O)CC1CC1O;JBZAJWHEEBGGCS-UHFFFAOYSA-N;115.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109706;MM109706;Cn1ncc(=O)n1O;UKVILEAZGIOZNF-UHFFFAOYSA-N;115.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109707;MM109707;C=C(F)CC1CC1O;MKFMGARFYLEYDR-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109708;MM109708;C=C(C)CC1CC1F;GDOSBKZZKFBVHO-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109709;MM109709;CC(=O)CC1CC1F;CIRYYAHOYYNXGN-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109710;MM109710;N=C(N)CC1CC1F;DEKIAHGNQLIYQI-UHFFFAOYSA-N;116.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109711;MM109711;NC(=O)CC1CC1F;JITDWIDXUHAUHY-UHFFFAOYSA-N;117.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109712;MM109712;O=C(O)CC1CC1F;ZPXAHTIQEUCDFS-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109713;MM109713;C=C(F)CC1CC1F;QCFONTACBRJSLK-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109714;MM109714;CC(=N)NC1CC1C;QGJNVVDRZGYKAT-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109715;MM109715;CC(=O)NC1CC1C;IMELVFLWYKHCSM-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109716;MM109716;CC1CC1NC(=N)N;RBSCYJWCSYHMAZ-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109717;MM109717;CC1CC1NC(N)=O;DEQVVJXPFXGTRV-UHFFFAOYSA-N;114.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109718;MM109718;CC(=N)NC1CC1N;UNDJVWIPEIXJEY-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109719;MM109719;CC(=O)NC1CC1N;HXVZHNWAWKIVEI-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109720;MM109720;N=C(N)NC1CC1N;HUMWDIRSHXURRI-UHFFFAOYSA-N;114.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109721;MM109721;NC(=O)NC1CC1N;GOKPIFUUDLKTCQ-UHFFFAOYSA-N;115.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109722;MM109722;CC(=N)NC1CC1O;SUPBEXKMEAMICW-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109723;MM109723;CC(=O)NC1CC1O;DEHLPJBYRQDSNQ-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109724;MM109724;N=C(N)NC1CC1O;SDIWUACZEJQLEI-UHFFFAOYSA-N;115.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109725;MM109725;NC(=O)NC1CC1O;LZCHHXRKOSDFGA-UHFFFAOYSA-N;116.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109726;MM109726;CC(=N)NC1CC1F;CUPGGUVPEZKROV-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109727;MM109727;CC(=O)NC1CC1F;JVLXSINIVWNLGM-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109728;MM109728;N=C(N)NC1CC1F;TWUDDSUBVCFCGK-UHFFFAOYSA-N;117.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109729;MM109729;NC(=O)NC1CC1F;BUJUCYQAACQWPP-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109730;MM109730;C=C(C)OC1CC1C;UWCRTBQDDJIQHS-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109731;MM109731;CC(=O)OC1CC1C;OTXJUSAVQLCSFT-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109732;MM109732;CC1CC1OC(=N)N;RAHSTQFUGRKGSE-UHFFFAOYSA-N;114.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109733;MM109733;CC1CC1OC(N)=O;HZNLMVXDKYVZDG-UHFFFAOYSA-N;115.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109734;MM109734;C=C(C)OC1CC1N;LIHPTHDZKBKTKL-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109735;MM109735;CC(=O)OC1CC1N;VLYPZMJCWSWREQ-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109736;MM109736;N=C(N)OC1CC1N;LKAQHEVSGPUVNI-UHFFFAOYSA-N;115.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109737;MM109737;NC(=O)OC1CC1N;OOQIDEOCYIMEEN-UHFFFAOYSA-N;116.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109738;MM109738;C=C(C)OC1CC1O;JDEHUZWPYFDLFB-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109739;MM109739;CC(=O)OC1CC1O;ITEJLPKWCYDUKJ-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109740;MM109740;N=C(N)OC1CC1O;MOHAWNZLPRSKOZ-UHFFFAOYSA-N;116.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109741;MM109741;NC(=O)OC1CC1O;QVVLEPLUPBCGRR-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109742;MM109742;C=C(C)OC1CC1F;FKDIEBGOQRJEBQ-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109743;MM109743;CC(=O)OC1CC1F;AZIHLWABEQEUJF-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109744;MM109744;N=C(N)OC1CC1F;HUZJAUAUTAIBKN-UHFFFAOYSA-N;118.11;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109745;MM109745;NC(=O)OC1CC1F;FYCXFLRHZKEIPQ-UHFFFAOYSA-N;119.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109746;MM109746;CC1NC1CC(=N)N;KNDQQVAGLHIWKI-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109747;MM109747;C=C(C)CC1OC1C;ADDKIAXMMJSTLX-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109748;MM109748;CC(=O)CC1OC1C;JKAHELBLQXKJRI-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109749;MM109749;CC1OC1CC(=N)N;LOHWEWPVGRGBIU-UHFFFAOYSA-N;114.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109750;MM109750;CC1OC1CC(N)=O;FMUFNKGXSIPPSM-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109751;MM109751;O=C1C=NC(=O)N1;DWRDBJCTLDOPFZ-UHFFFAOYSA-N;98.06;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109752;MM109752;C=C(F)CC1OC1C;MAHBFCRVQGMTDC-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109753;MM109753;NN=C(C=NO)NN;QLAIDQIVRMTCMZ-UHFFFAOYSA-N;117.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109754;MM109754;CN1CC1CC(=N)N;KSQJQORHCSJHER-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109755;MM109755;NC(CC(O)C=O)=NO;QAZGYSHOHLYCPK-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109756;MM109756;C=C(F)CC1CN1C;DWQMXAAGEGASFF-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109757;MM109757;CC(F)C(=N)NC=NO;XYXJSYYKFYKOKU-UHFFFAOYSA-N;133.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109758;MM109758;CC1CN1CC(=N)N;AFXVZRTVGMYYFS-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109759;MM109759;C#CC1CC(=NO)NN1;CXOKBZFCQSLDTM-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109760;MM109760;Cc1nc(=O)[nH]c(=O)n1C;JKXUTGTWABZLOB-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109761;MM109761;C=C(F)CN1CC1C;YRNMZSZMBQUHIK-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109762;MM109762;CC(=N)NN1CC1C;ZZOHXOSWPNDPKF-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109763;MM109763;CC(=O)NN1CC1C;IKPFFLOIAHMVQO-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109764;MM109764;CC1CN1NC(=N)N;JNPWQGLDQSIPCB-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109765;MM109765;CC1CN1NC(N)=O;NFFBNPQOUDJXCO-UHFFFAOYSA-N;115.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109766;MM109766;CC(C)=CC1CC1C;FZZVHTPLFZTQOF-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109767;MM109767;CC(F)=CC1CC1C;VOBLTXFISQRISQ-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109768;MM109768;CC1CC1C=C(F)F;WWNYXHRHEYLVTN-UHFFFAOYSA-N;118.13;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109769;MM109769;CC(C)=CC1CC1N;HZWATAPKHIVGKG-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109770;MM109770;CC(F)=CC1CC1N;SWNTXXAVFQCOHR-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109771;MM109771;NC1CC1C=C(F)F;MZLMWCJDZYSXPG-UHFFFAOYSA-N;119.11;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109772;MM109772;CC(C)C(C=C(N)N)=NO;IYZSQFLHUGIPKP-UHFFFAOYSA-N;143.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109773;MM109773;CC(F)=CC1CC1O;ZCEUAAZPCIWHMX-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109774;MM109774;OC1CC1C=C(F)F;PHRSQUPINPUGEM-UHFFFAOYSA-N;120.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109775;MM109775;CC(C)=CC1CC1F;XZRHFZPPXFNXIF-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109776;MM109776;CC(F)=CC1CC1F;BKTRIDPJOIAWAK-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109777;MM109777;FC(F)=CC1CC1F;WNUJDGNMPRZZFN-UHFFFAOYSA-N;122.09;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109778;MM109778;CC1NC1C=C(F)F;SSHBGMDPWQKWRN-UHFFFAOYSA-N;119.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109779;MM109779;CC(C)=CC1OC1C;UGHZKFLEBAYEEN-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109780;MM109780;CC(F)=CC1OC1C;AUHNMOZUXBBVIR-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109781;MM109781;CC1OC1C=C(F)F;KVTMFYJKAYBTSJ-UHFFFAOYSA-N;120.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109782;MM109782;CC(C)=CC1CN1C;YRCOLKFFBNUAQF-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109783;MM109783;CC(F)=CC1CN1C;UFJFSFGRRJPGPH-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109784;MM109784;CN1CC1C=C(F)F;QBMQJRBLIYQOJS-UHFFFAOYSA-N;119.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109785;MM109785;CC(C)=NN1CC1C;BSUNNDJKQHATFZ-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109786;MM109786;CC1CC(C)C(C)C1;PNUFYSGVPVMNRN-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109787;MM109787;CC1CC(N)CC1C;BMTKDAQETBZWEZ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109788;MM109788;CN(C=NO)C(N)=CC#N;MSSJFKGCFBRZHD-UHFFFAOYSA-N;140.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109789;MM109789;CC1CC(F)CC1C;QTEPDTOPGYSGPU-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109790;MM109790;CC1CC(C)C(N)C1;UAYFRJWWGAHPBG-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109791;MM109791;CC1CC(N)CC1N;TXHJBMYOOJIFOS-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109792;MM109792;CC1CC(O)CC1N;WWEDFHAIBZNGMK-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109793;MM109793;CC1CC(F)CC1N;MRNJDPFINHICJI-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109794;MM109794;CC(=NO)N(N)C(=N)CO;BQWCNZVGWZEROC-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109795;MM109795;CC1CC(N)CC1O;MCKDUOXHGYYIRU-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109796;MM109796;CC1CC(O)CC1O;DNVXWBJCNGBJOE-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109797;MM109797;CC1CC(F)CC1O;FIMSJFWQOVQFKE-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109798;MM109798;CC1CC(C)C(F)C1;NZNVXVKMMMAIAY-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109799;MM109799;CC1CC(N)CC1F;BQJNBCJRXNTUDW-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109800;MM109800;CC1CC(O)CC1F;FXDZJHUJUYQJKY-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109801;MM109801;CC1CC(F)CC1F;ITZTYVDPHLFXHI-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109802;MM109802;CC1CC(N)C(N)C1;OGMLERGWORAKEW-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109803;MM109803;NC1CC(N)C(N)C1;FRVWVCANHXBAOJ-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109804;MM109804;NC1CC(O)CC1N;FMBIQZAABNLKQQ-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109805;MM109805;NC1CC(F)CC1N;GSIATNMLJODIBC-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109806;MM109806;CC1CC(N)C(O)C1;SLHHXISSLHVESP-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109807;MM109807;NC1CC(N)C(O)C1;QPUSHXFQGDMBJS-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109808;MM109808;NC1CC(O)CC1O;XQZFLHBAZVWOFL-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109809;MM109809;NC1CC(F)CC1O;SPCYQHNDDCJHTC-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109810;MM109810;NC1CC(O)CC1F;GNHPBEZPIWLCLF-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109811;MM109811;NC1CC(F)CC1F;VQTWCZQOMYEPLT-UHFFFAOYSA-N;121.13;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109812;MM109812;NC1CC(O)C(O)C1;BZYZDDQTPCPKNV-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109813;MM109813;CC1CC(O)C(F)C1;JAWHBKGJBUMUKL-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109814;MM109814;CC1CC(C)C(C)N1;YOHMFZGZNKMFIA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109815;MM109815;CC1CC(N)C(C)N1;VFJGBZSLPZIJAG-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109816;MM109816;CC1CC(O)C(C)N1;UDVPDDAIPDEMDZ-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109817;MM109817;CC1CC(F)C(C)N1;DLSBJWAXQNVVMC-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109818;MM109818;CC1CC(C)C(C)O1;BPNZHENTGARGOJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109819;MM109819;CC1CC(N)C(C)O1;QWPJBFFXUSOVHB-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109820;MM109820;CC1CC(O)C(C)O1;PCMJRNYEMLQEJG-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109821;MM109821;CC1CC(F)C(C)O1;MKAGBRITVDTYHD-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109822;MM109822;CC1OC(C)C(C)O1;HLEXJAVJCZLRTH-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109823;MM109823;CC1CN(C)CC1C;SIBLCLDNTGUERI-UHFFFAOYSA-N;113.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109824;MM109824;CC1CN(C)CC1N;QWUYUMSIOXRISF-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109825;MM109825;CC1CN(C)CC1O;HXJHQHHJIQEZLD-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109826;MM109826;CN1CC(N)C(N)C1;QBLOJYXRWQUGAC-UHFFFAOYSA-N;115.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109827;MM109827;CN1CC(N)C(O)C1;CIQOTANLSZEILP-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109828;MM109828;CC1CC(C)N(C)C1;SSTNJJXESKGKFV-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109829;MM109829;CC1CC(N)CN1C;RJRPQETZPJBQBP-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109830;MM109830;CC1CC(O)CN1C;CIOLSWLKRIJZQO-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109831;MM109831;C=C1CC(C)C(C)C1;NABUSTQZEUZORY-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109832;MM109832;CC1CC(=O)CC1C;ZMGMYCHEWPVBEL-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109833;MM109833;C=C1CC(C)C(N)C1;ZQZLOHWLODGQSJ-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109834;MM109834;CC(CC=NN)CC=NO;WDKDDKHEVHNDTR-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109835;MM109835;CC1CC(=O)CC1O;KDYJGUGGZMXTQT-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109836;MM109836;C=C1CC(C)C(F)C1;ANWQCXMNEJUTRS-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109837;MM109837;CC1CC(=O)CC1F;LEGHVABXPVTJES-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109838;MM109838;C=C1CC(N)C(N)C1;YEQIIPCKSUBQMQ-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109839;MM109839;C=C1CC(N)C(O)C1;RPTSMCHIDFYWGF-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109840;MM109840;C=C1CC(N)C(F)C1;DCRWMHPSVMPOGT-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109841;MM109841;C=C1CC(O)C(O)C1;CCJYIJGHNNQVGZ-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109842;MM109842;C=C1CC(F)C(F)C1;PWFICBJYPRPBCH-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109843;MM109843;O=C1CC(F)C(F)C1;YZYFJUHOJBHFEV-UHFFFAOYSA-N;120.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109844;MM109844;CC1CC(=N)NC1C;HLFGYTAETWRDBS-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109845;MM109845;CC1CC(=O)NC1C;URLVRPKEOGBFHJ-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109846;MM109846;CC1NC(=N)CC1N;IYDXBEPHRBYJOH-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109847;MM109847;CC1NC(=O)CC1N;FINSXLJSNXSOKJ-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109848;MM109848;CC1NC(=N)CC1O;GNSVEBWJBDQEJH-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109849;MM109849;CC1NC(=O)CC1O;ZBCVDJNHLQMBTG-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109850;MM109850;CC1NC(=N)CC1F;JZBXQWWLMMEEES-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109851;MM109851;CC1NC(=O)CC1F;COAPDNWXYFNTBS-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109852;MM109852;C=C1CC(C)C(C)O1;FCIUOOPPSMCUSI-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109853;MM109853;CC1CC(=O)OC1C;PXIPZIPSDBXFQR-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109854;MM109854;C=C1CC(N)C(C)O1;DFIABXDZVVZFEA-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109855;MM109855;CC1OC(=O)CC1N;DLVYLQZKRIPAMS-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109856;MM109856;C=C1CC(O)C(C)O1;KVQVULXIOKEWES-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109857;MM109857;CC1OC(=O)CC1O;BYSKAPIRGIONBO-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109858;MM109858;C=C1CC(F)C(C)O1;SXBHPOCSZAJTLF-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109859;MM109859;CC1OC(=O)CC1F;NGDXGSPPTVYQLM-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109860;MM109860;CC1NC(=N)NC1C;CBGLBIHRTPQPNU-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109861;MM109861;CC1NC(=O)NC1C;FEVSXQMJLWVHDA-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109862;MM109862;CC1NC(=O)OC1C;DXRZFYKVFKAPCE-UHFFFAOYSA-N;115.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109863;MM109863;CC1OC(=O)OC1C;LWLOKSXSAUHTJO-UHFFFAOYSA-N;116.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109864;MM109864;C=C1CC(C)N(C)C1;QORPAAIUKBYNMX-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109865;MM109865;CC1CC(=N)NN1C;SZYPHRBTGRTOCZ-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109866;MM109866;CC1CC(=O)NN1C;DBNRYDXNFGVUIK-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109867;MM109867;C=C1CC(C)CC1C;VSDWECIDDOLZSH-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109868;MM109868;C=C1CC(N)CC1C;QJQUYXWXCRPHRD-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109869;MM109869;ON=CNC=CC(F)CF;IRZWZMBGBNVXPW-UHFFFAOYSA-N;150.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109870;MM109870;C=C1CC(F)CC1C;ALIQIGHFXYQIOB-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109871;MM109871;CC1CC(=O)C(C)C1;UKJQTRVEZWBIRE-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109872;MM109872;CC1CC(O)CC1=O;GEOZDNPZYQSGLG-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109873;MM109873;CC1CC(F)CC1=O;SEAPUVPBWJLAJA-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109874;MM109874;C=C1CC(C)CC1N;KCHMWPSGYAFUEC-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109875;MM109875;C=C1CC(N)CC1N;HKHXVXPJSFSNFI-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109876;MM109876;C=C1CC(O)CC1N;PMVULBMTLYFBMW-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109877;MM109877;C=C1CC(F)CC1N;HMAQSALHOFJYEN-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109878;MM109878;CNN(C=NO)C=NC=N;GNQMBKNWAOARMN-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109879;MM109879;C=C1CC(N)CC1O;VOSMYAYLQOYKEH-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109880;MM109880;C=C1CC(O)CC1O;CRZSRQZWBQMSRN-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109881;MM109881;C=C1CC(F)CC1O;BYEKQNIRHSTQSJ-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109882;MM109882;CC1CC(=O)C(O)C1;BJSHSOMHHWEIFF-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109883;MM109883;O=C1CC(O)CC1O;IANPDYKSUIHOSC-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109884;MM109884;O=C1CC(F)CC1O;QZZWSXJVKCPGTM-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109885;MM109885;C=C1CC(C)CC1F;MXUIOTFRAOOKCE-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109886;MM109886;C=C1CC(N)CC1F;WDVVDPXQAKZRNX-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109887;MM109887;C=C1CC(O)CC1F;BJWKTIDJLAOJDE-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109888;MM109888;CC1CC(=O)C(F)C1;BFGYCNIQVQGCED-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109889;MM109889;O=C1CC(O)CC1F;IUPDVPZFMJMROL-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109890;MM109890;CC1CC(C)C(=N)N1;DHAPUXXMIQMWLF-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109891;MM109891;CC1CC(C)C(=O)N1;XKDPBYCPNJRCSM-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109892;MM109892;CC1CC(N)C(=N)N1;WETKPSVAMLKWPO-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109893;MM109893;CC1CC(O)C(=N)N1;VDWZJMDBMLRHNC-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109894;MM109894;CC1CC(O)C(=O)N1;DONIIIFPIJYUCN-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109895;MM109895;CC1CC(F)C(=O)N1;BXPFAXAPSDGEMV-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109896;MM109896;C=C1OC(C)CC1C;HDBOZZOFNUHMMN-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109897;MM109897;CC1CC(C)C(=O)O1;IYJMJJJBGWGVKX-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109898;MM109898;C=C1OC(C)CC1N;PXOKKHHWXNBDOV-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109899;MM109899;C=C1OC(C)CC1O;ADXNQBWVCZIKDZ-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109900;MM109900;CC1CC(O)C(=O)O1;XHMUCGPKDKCFHL-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109901;MM109901;C=C1OC(C)CC1F;KVKPXUJWCCMZBI-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109902;MM109902;C=C1CC(C)NC1C;CFKYURHNEPAKQM-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109903;MM109903;C=C1CC(C)OC1C;PIZXKNYYJNLQAL-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109904;MM109904;CC1CC(=O)C(C)O1;PAZYIUKTJFPTKT-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109905;MM109905;C=C1OC(C)OC1C;DUPHJUKYVJSUMJ-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109906;MM109906;CC1OC(=O)C(C)O1;HZEDJCAGLIJEAI-UHFFFAOYSA-N;116.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109907;MM109907;C=C1CN(C)CC1C;QUXUFKOJEWRVKV-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109908;MM109908;CCC(CO)C(=NO)NN;HXJSTDLZAKKEMO-UHFFFAOYSA-N;147.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109909;MM109909;C=C1CN(C)CC1N;XNHTUPRZSPHVPC-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109910;MM109910;C=C1CN(C)CC1O;OBACBUJUVNHFII-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109911;MM109911;ON=CNNC(=NO)NO;YXFGFQRTKDEYKS-UHFFFAOYSA-N;149.11;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109912;MM109912;C=NN(C=CC=NO)CC;LACBQWPRLUKCEM-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109913;MM109913;CC1CN(C)NC1=N;IJAAGZIVQTYMCK-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109914;MM109914;CC1CN(C)NC1=O;FQUIGIBJXTUFCB-UHFFFAOYSA-N;114.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109915;MM109915;CN1CC(N)C(=N)N1;XYYKVZOAEPSTQV-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109916;MM109916;CN1CC(O)C(=N)N1;GYEVIGPYXKQLOO-UHFFFAOYSA-N;115.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109917;MM109917;CN1CC(O)C(=O)N1;NHENETWZYITXAA-UHFFFAOYSA-N;116.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109918;MM109918;CN1CC(F)C(=N)N1;KKSXINYEFVIPQI-UHFFFAOYSA-N;117.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109919;MM109919;CC1CC(=N)N(C)C1;KTQQDMBKZKOWKP-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109920;MM109920;CN1CC(N)CC1=N;GHPMACGGGHPWTL-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109921;MM109921;CN1CC(O)CC1=N;USXJMCCOGFIHLW-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109922;MM109922;CN1CC(F)CC1=N;JKQYVGORFKJBSF-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109923;MM109923;CC1CC(=O)N(C)C1;AXSSJSFXWMOTEN-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109924;MM109924;CN1CC(N)CC1=O;WBYJZPAHGAGMQX-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109925;MM109925;CN1CC(O)CC1=O;YRVPVSMWSPGZSV-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109926;MM109926;CN1CC(F)CC1=O;WKBDRRWUJFWHFP-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109927;MM109927;CC1CC(=N)N(N)C1;JRMUQFHVCQFDLH-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109928;MM109928;N=C1CC(O)CN1N;DZZDOIYHRWSEPS-UHFFFAOYSA-N;115.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109929;MM109929;N=C1CC(F)CN1N;KNMNJBXEPKEREC-UHFFFAOYSA-N;117.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109930;MM109930;CC1CC(=O)N(N)C1;MPISTGZFPCXVBT-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109931;MM109931;N#CCC1CCC(=NO)N1;JEMXHIZEQLLKLF-UHFFFAOYSA-N;139.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109932;MM109932;CCN=C1CC(NN)=NN1;FUEILZFXWWZQAU-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109933;MM109933;CC1CC(=N)N(O)C1;NMHVLKVIAZDRPK-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109934;MM109934;N=C1CC(N)CN1O;ZSWNJAHCYSQSOP-UHFFFAOYSA-N;115.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109935;MM109935;CC1CN(C)C(=N)N1;DEDYRVOVMSUNSV-UHFFFAOYSA-N;113.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109936;MM109936;CC1CN(C)C(=O)N1;UTNDHLQHBDFDLA-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109937;MM109937;CC1CN(N)C(=N)N1;DZAVVUHEMRAEEC-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109938;MM109938;COC(=N)NC=NO;OPKGBHZSBOXABC-UHFFFAOYSA-N;117.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109939;MM109939;CC1CN(O)C(=N)N1;CTOXIZWKQHKJMH-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109940;MM109940;CC1CN(O)C(=O)N1;VQARFGACYOXYSD-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109941;MM109941;CC1CN(C)C(=N)O1;CBIDEMCTZBZBQS-UHFFFAOYSA-N;114.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109942;MM109942;CC1CN(C)C(=O)O1;DOBCCCCDMABCIV-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109943;MM109943;CC1CN(N)C(=O)O1;XBJHVWCBFFKHCJ-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109944;MM109944;COc1ncc(N)[nH]1;CYTJKCQUEDCRSK-UHFFFAOYSA-N;113.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109945;MM109945;CC1CC(=N)N(C)N1;IQRMDVBPCGQHMU-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109946;MM109946;CC1CC(=O)N(C)N1;GTYIOKFAHJURRV-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109947;MM109947;CC1CC(=N)N(C)O1;MVVUAGPYJRQMRA-UHFFFAOYSA-N;114.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109948;MM109948;CC1CC(=O)N(C)O1;NWARYBOGGHTCRB-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109949;MM109949;CC1OC(=N)N(C)O1;JEZBGBFBTMWDBB-UHFFFAOYSA-N;116.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109950;MM109950;CC1OC(=O)N(C)O1;FFXWTSWGIJNETH-UHFFFAOYSA-N;117.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109951;MM109951;C=C1CC(=C)C(C)C1;JGKPMWFGTHWMFA-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109952;MM109952;C=C1CC(=O)CC1C;SJYCXIWECZPHFH-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109953;MM109953;C=C1CC(=O)C(C)C1;JODIXURCQGDYHA-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109954;MM109954;C=C1CC(=C)C(N)C1;JKUKNKATRCUXCX-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109955;MM109955;N#CCNC(=N)C=NO;MRFSUQBUEMXPSH-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109956;MM109956;C=C1CC(=O)CC1O;BHHAEDQOEYRXDN-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109957;MM109957;C=C1CC(=O)C(O)C1;VYTDIYUTJOHLMD-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109958;MM109958;C=C1CC(=C)C(F)C1;BNWZEHOFIGLPSS-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109959;MM109959;C=C1CC(=O)CC1F;OOKWSIUTCBNGCF-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109960;MM109960;C=C1CC(=O)C(F)C1;JAIOJYOAJRYNKA-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109961;MM109961;C=C1NC(=N)CC1C;XPKDJPZMPPATMN-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109962;MM109962;C=C1NC(=O)CC1C;PTRVMROOCGLUEJ-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109963;MM109963;C=C1CC(C)C(=N)N1;GDKHLEHJYMIFHD-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109964;MM109964;CC1CC(=N)NC1=N;SSRXNAGWNGRFTB-UHFFFAOYSA-N;111.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109965;MM109965;Nc1nc(CF)cn1O;BHZDILGNBAZTMP-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109966;MM109966;C=C1CC(C)C(=O)N1;ZFQVGEZCVPCFBZ-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109967;MM109967;NN=CC1=CNC(=O)C1;SIVIQMJRBKMMEJ-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109968;MM109968;CC1CC(=O)NC1=O;KAJJUFUPJGVIFJ-UHFFFAOYSA-N;113.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109969;MM109969;C=C1NC(=N)CC1N;LXNCKQIHCNHKFL-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109970;MM109970;C=C1CC(N)C(=N)N1;LLFQHUCXCYKTEZ-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109971;MM109971;N=C1CC(N)C(=N)N1;FUFJPBBDWQLGBA-UHFFFAOYSA-N;112.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109972;MM109972;C=C1NC(=N)CC1O;OLTPMWOVZDVBNI-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109973;MM109973;C=C1NC(=O)CC1O;HZTUECFMQCYSTN-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109974;MM109974;C=C1CC(O)C(=N)N1;MDTIVSAMKQWDCK-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109975;MM109975;N=C1CC(O)C(=N)N1;AJMLPHLMABNHFB-UHFFFAOYSA-N;113.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109976;MM109976;N=C1NC(=O)CC1O;YSVWMLNIYDKEDJ-UHFFFAOYSA-N;114.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109977;MM109977;C=C1CC(O)C(=O)N1;BUVGFJOEXDOKMW-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109978;MM109978;N=C1CC(O)C(=O)N1;HDBJONVYWVDZTO-UHFFFAOYSA-N;114.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109979;MM109979;O=C1CC(O)C(=O)N1;JDXQWYKOKYUQDN-UHFFFAOYSA-N;115.09;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109980;MM109980;C=C1NC(=N)CC1F;SFOVFMXYRKUBJQ-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109981;MM109981;C=C1NC(=O)CC1F;HHKNDIGXHAAJFD-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109982;MM109982;N=C1NC(=O)CC1F;CWIVODXBYMTJGL-UHFFFAOYSA-N;116.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109983;MM109983;C=C1CC(F)C(=O)N1;MIWAXQJZRZQYQR-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109984;MM109984;N=C1CC(F)C(=O)N1;KCXUVFNSBFPRPK-UHFFFAOYSA-N;116.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109985;MM109985;O=C1CC(F)C(=O)N1;GFIMDPBJPQJBSI-UHFFFAOYSA-N;117.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109986;MM109986;C=C1CC(C)C(=C)O1;JDPSJTJGERKJNP-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109987;MM109987;C=C1OC(=O)CC1C;PTQPZDQQIOULHC-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109988;MM109988;C=C1CC(C)C(=O)O1;DSODYTUHIDZDMX-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109989;MM109989;CC1CC(=O)OC1=O;DFATXMYLKPCSCX-UHFFFAOYSA-N;114.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109990;MM109990;C=C1CC(N)C(=C)O1;LTXPHBDYWBIUCX-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109991;MM109991;C=C1CC(O)C(=C)O1;FKJHLQPWTKHFSH-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109992;MM109992;C=C1OC(=O)CC1O;KJYSOCFIGCKZPT-UHFFFAOYSA-N;114.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109993;MM109993;C=C1CC(O)C(=O)O1;FHIZQNGYHBGQJW-UHFFFAOYSA-N;114.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109994;MM109994;O=C1CC(O)C(=O)O1;KPYCVQASEGGKEG-UHFFFAOYSA-N;116.07;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109995;MM109995;C=C1CC(F)C(=C)O1;PARFCIKINCASMG-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109996;MM109996;C=C1OC(=O)CC1F;ULBGQHNSWOUIHL-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109997;MM109997;C=C1CC(F)C(=O)O1;CNQDTQSPNZRZCH-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109998;MM109998;C=C1CC(=N)NC1C;SJNGZZCAEBZSQU-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM109999;MM109999;C=C1CC(=O)NC1C;DCPXOXLWKALZHQ-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110000;MM110000;CC1N=C(N)CC1=O;CESLYSVUGYLUHT-UHFFFAOYSA-N;112.13;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110001;MM110001;CC1NC(=O)CC1=O;VKKNQZBZGSFRCA-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110002;MM110002;C=C1NC(=N)NC1C;XEKRADJOXOVKOS-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110003;MM110003;C=C1NC(=O)NC1C;QYZVNVNPDYMZJU-UHFFFAOYSA-N;112.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110004;MM110004;CC1NC(=N)NC1=N;XMZJAFYQJRNWGP-UHFFFAOYSA-N;112.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110005;MM110005;NNC1=NC(=NO)CC1;JYMHYLBCFJFQCL-UHFFFAOYSA-N;128.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110006;MM110006;CC(=N)N=CN(N)C=NO;XWJGJAQOWUUPFR-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110007;MM110007;CC1NC(=O)NC1=O;VMAQYKGITHDWKL-UHFFFAOYSA-N;114.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110008;MM110008;CC(=NN)NC(=O)NC=N;UFWGYJQSYSCDQH-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110009;MM110009;CC1NC(=O)OC1=O;DTETYCNJKAUROO-UHFFFAOYSA-N;115.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110010;MM110010;C=C1CC(=C)C(C)O1;IHKZRETVHDZWCU-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110011;MM110011;C=C1CC(=O)OC1C;YCIQSUQMRRYCHB-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110012;MM110012;C=C1CC(=O)C(C)O1;OACQLIUHRMQVJS-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110013;MM110013;C=C1NC(=O)OC1C;GEGLAYDUHSRQOI-UHFFFAOYSA-N;113.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110014;MM110014;C=C1NC(=N)C(C)O1;WBCMDTPDAVKALL-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110015;MM110015;CC1OC(=O)NC1=N;MIUWALJLZDPKOD-UHFFFAOYSA-N;114.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110016;MM110016;CC1OC(=N)NC1=O;WNWAWYJJSALSTP-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110017;MM110017;C=C1OC(=O)OC1C;UUAXEPJKXVVVKT-UHFFFAOYSA-N;114.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110018;MM110018;CC1OC(=O)OC1=O;JLXQJNCZXSYXAK-UHFFFAOYSA-N;116.07;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110019;MM110019;C=C1CC(=N)N(C)C1;WIJSDQRNYOSECH-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110020;MM110020;CN1CC(=O)CC1=N;WMERWFXJSVSPNG-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110021;MM110021;C=C1CC(=O)N(C)C1;QITBPRUDPSGULF-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110022;MM110022;CN1CC(=O)CC1=O;LVXMNKXQKQCYAH-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110023;MM110023;C=C1CC(=N)N(N)C1;LFSZIYCVZCDPLV-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110024;MM110024;C=C1CC(=O)N(N)C1;HINBOJNPRRASIF-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110025;MM110025;C=C1CN(C)C(=N)N1;UNXNJLUHRXHICE-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110026;MM110026;CN1CC(=N)NC1=N;AYMSZVMKISUZPA-UHFFFAOYSA-N;112.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110027;MM110027;NNC(=NC=O)NC(N)=O;KIXBISZCCFFOFC-UHFFFAOYSA-N;145.12;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110028;MM110028;C=C1CN(C)C(=O)N1;BRUZLALZMAZZES-UHFFFAOYSA-N;112.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110029;MM110029;N=CNC(=O)NNC=NO;RMZOYCZNUYZDNG-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110030;MM110030;CN1CC(=O)NC1=O;RHYBFKMFHLPQPH-UHFFFAOYSA-N;114.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110031;MM110031;C=C1CN(N)C(=N)N1;GLHFEEOHICYGBK-UHFFFAOYSA-N;112.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110032;MM110032;N=C1CN(N)C(=N)N1;WHXKIOCBAVNHSX-UHFFFAOYSA-N;113.12;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110033;MM110033;N=C(NNC=NO)OC=O;SEVVGBDBXIYRKR-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110034;MM110034;CN=CN=CN(N)C=NO;NLRDERJKYDTBMH-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110035;MM110035;CN1N=C(CC#N)CC1=N;MXZFLGUUQJDXSW-UHFFFAOYSA-N;136.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110036;MM110036;NN1CC(=O)NC1=O;KVYKDNGUEZRPGJ-UHFFFAOYSA-N;115.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110037;MM110037;C=C1CN(O)C(=N)N1;BCABIDUMZZYYOG-UHFFFAOYSA-N;113.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110038;MM110038;N=C1NC(=O)CN1O;GPVYACMFANAZQE-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110039;MM110039;C=C1CN(O)C(=O)N1;CZKHOSRBNYTLQM-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110040;MM110040;C=CCC1=CC(=N)C(=O)N1;MTDDKLWUHJLDKC-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110041;MM110041;CN1CC(=O)OC1=O;PMPAXURTFMSZSN-UHFFFAOYSA-N;115.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110042;MM110042;N=c1[nH]c(=N)n(C(N)=O)o1;GKTJFLKZDIAGJV-UHFFFAOYSA-N;143.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110043;MM110043;C#CC(=O)C=CC(N)=NO;RVPNQJAMROTHNY-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110044;MM110044;CC(=NO)C(C)CC=NN;MTEZJKYVEDDGHC-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110045;MM110045;CN1NC(=N)CC1=N;FTWCAZFGXHFQSH-UHFFFAOYSA-N;112.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110046;MM110046;CCC(CCC=NN)=NO;UEHLZZFHAMZQRN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110047;MM110047;Oc1nc(F)oc1F;GBSPVHJRPLVGNA-UHFFFAOYSA-N;121.04;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110048;MM110048;Cn1[nH]c(=O)[nH]c1=O;NENDRBATLNDSTO-UHFFFAOYSA-N;115.09;-1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110049;MM110049;COc1nc(C)c(O)o1;XGPVVKDJDHPCDS-UHFFFAOYSA-N;129.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110050;MM110050;CC(C(C#N)=NO)C1CC1;LETSVZRHKFIBTN-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110051;MM110051;N#CC(C=CC=CF)=NO;LSAYPSAEQBENNT-UHFFFAOYSA-N;140.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110052;MM110052;Cn1[nH]c(=O)oc1=O;VPLZANSBSPXHJR-UHFFFAOYSA-N;116.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110053;MM110053;N=c1oc(=O)[nH]n1N;KEIWNTOAWHGCGN-UHFFFAOYSA-N;116.08;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110054;MM110054;Nn1[nH]c(=O)oc1=O;AHZQULZGAQKOHN-UHFFFAOYSA-N;117.06;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110055;MM110055;C#Cc1cnnn1O;WVDHOJZPFHMOEE-UHFFFAOYSA-N;109.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110056;MM110056;N#CC#CCCNC=NO;LTKVKGILCBFPRO-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110057;MM110057;C=Cn1[nH]cc(N)c1=O;VRDRVZRDINBMNY-UHFFFAOYSA-N;125.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110058;MM110058;Cn1oc(=O)[nH]c1=O;SHCJTIUGKXHXGW-UHFFFAOYSA-N;116.08;-1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110059;MM110059;C#CC(=O)C(O)C(C)=NO;UMWBHIWBRAQRNL-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110060;MM110060;ON=CC(F)CCC(F)F;NVEZNZRMWUVJLU-UHFFFAOYSA-N;155.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110061;MM110061;CNc1nnc(N)[nH]c1=O;ZZGHSTLFATWFJC-UHFFFAOYSA-N;141.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110062;MM110062;CN=c1[nH]n(N)c(=O)n1N;KLOYBZOQABEEFY-UHFFFAOYSA-N;144.14;-3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110063;MM110063;C=C1CC(C)CC1=C;ZRPVKCRPYFMGRS-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110064;MM110064;C=C1CC(N)CC1=C;RSUBNGBKYBKFAS-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110065;MM110065;ON=C1CCC(=CF)CN1;GMWRVMAECWWORP-UHFFFAOYSA-N;144.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110066;MM110066;C=C1CC(F)CC1=C;TULVZTORUQXBJL-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110067;MM110067;C=C1CC(C)CC1=O;BGSOOWQVJDSYOU-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110068;MM110068;C=C1CC(O)CC1=O;PFHAJTMEJZTKOB-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110069;MM110069;C=C1CC(F)CC1=O;OZEIHDPISMIJBZ-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110070;MM110070;CC1CC(=O)C(=O)C1;WAYQDZIRAKTLSD-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110071;MM110071;O=C1CC(O)CC1=O;KHUMEVSUIOXMOV-UHFFFAOYSA-N;114.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110072;MM110072;O=C1CC(F)CC1=O;JEIBIBUFXDPBDX-UHFFFAOYSA-N;116.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110073;MM110073;C=C1CC(C)NC1=N;IKJPKNXWDXQPGD-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110074;MM110074;C=C1CC(C)NC1=O;VDORPYPVQAFLTR-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110075;MM110075;CC1CC(=O)C(=N)N1;DRJLYKHLQIQBEX-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110076;MM110076;CC1CC(=O)C(=O)N1;AQCAZBUYOICNEM-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110077;MM110077;C=C1CC(C)OC1=C;BXLNSFGRJUMOHU-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110078;MM110078;C=C1CC(C)OC1=O;KYLUHLJIAMFYKW-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110079;MM110079;C=C1OC(C)CC1=O;BFVGUFWULLYKNE-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110080;MM110080;CC1CC(=O)C(=O)O1;NVZISLHGQBFBLS-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110081;MM110081;C=C1OC(C)OC1=C;KYZPLSCOIGLOFW-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110082;MM110082;C=C1OC(C)OC1=O;PXPYWUIXDFXSEQ-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110083;MM110083;CC1OC(=O)C(=O)O1;FWTWVMDEFVUWPV-UHFFFAOYSA-N;116.07;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110084;MM110084;C=C1CN(C)CC1=O;BJKIHMPXHAZOTF-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110085;MM110085;Cn1cc(O)c(O)c1;AXRMSNYNHMZMLF-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110086;MM110086;C=C1CN(C)NC1=N;MKSCRPVUSVPXKZ-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110087;MM110087;C=C1CN(C)NC1=O;HUMGMASJTFOHPV-UHFFFAOYSA-N;112.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110088;MM110088;Nn1c(=O)c(O)c(O)n1O;HHYDDQRYMAAQRL-UHFFFAOYSA-N;147.09;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110089;MM110089;C=NOCC(CC=O)=NO;DASCWSCWUHOAGT-UHFFFAOYSA-N;144.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110090;MM110090;O=CCNC=CC=NO;SLJJAGVDRUQLHP-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110091;MM110091;Cn1c(O)cc(=N)nc1O;BCDRPCDYTFXBRV-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110092;MM110092;NN(C=NO)C=NCCO;RESPTZNCDRKZSY-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110093;MM110093;Nc1coc(=O)n1O;KISPAIZEVWYESE-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110094;MM110094;Cn1oc(=O)c(=O)o1;NHUOOFDRTNPQAS-UHFFFAOYSA-N;117.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110095;MM110095;C=C1CC(=C)C(=C)C1;GEEZINPWVNDAOW-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110096;MM110096;C=C1CC(=O)CC1=C;QLTBRYOQIIJWSI-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110097;MM110097;C=C1CC(=C)C(=O)C1;DSJNRQPMPIIZLJ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110098;MM110098;C=C1CC(=O)CC1=O;MMCYARSWSXMQKJ-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110099;MM110099;C=C1CC(=O)C(=O)C1;BKTXCVUNKVPPSO-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110100;MM110100;CCn1ncc(=O)n1O;VODFHBSZIJIKLU-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110101;MM110101;C=C1CC(=N)NC1=C;VKDABBVTOAGANQ-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110102;MM110102;C=C1CC(=O)NC1=C;GENGMDHEQVJVKQ-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110103;MM110103;C=C1CC(=C)C(=N)N1;WUVXFBLTRPHXHN-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110104;MM110104;C=C1CC(=N)NC1=N;XSVJKQDQENNNEV-UHFFFAOYSA-N;109.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110105;MM110105;C=C(NC=O)N(N)C=NO;SMGUUTRPKYXTTP-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110106;MM110106;C=C1CC(=C)C(=O)N1;QWEPKHQCGOZKQQ-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110107;MM110107;C=NN(C)CCC(C)=NO;NGGOHGSWLVUAIS-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110108;MM110108;C=C1CC(=O)NC1=O;FKAWETHEYBZGSR-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110109;MM110109;CC1(C=O)CC(=NO)NN1;MWGIZPYDIAMNNY-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110110;MM110110;N=CN(N)C(=O)NC=NN;HLORIIABEBCQDG-UHFFFAOYSA-N;144.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110111;MM110111;C=C1CC(=O)C(=O)N1;TYIVVSFYAQQJNO-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110112;MM110112;ON=c1oc(F)c(F)n1O;RZOSHRGERACJAV-UHFFFAOYSA-N;152.06;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110113;MM110113;C=C1CC(=C)C(=C)O1;MSSLFZJCAKZTTA-UHFFFAOYSA-N;108.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110114;MM110114;C=C1CC(=O)OC1=C;GDSPNVADNFBIHZ-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110115;MM110115;C=C1CC(=C)C(=O)O1;ZGJSPSBYJJZSCG-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110116;MM110116;C=C1CC(=O)OC1=O;OFNISBHGPNMTMS-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110117;MM110117;O=CC(=NO)OC(=O)NO;JZZQDTSEMNNLBH-UHFFFAOYSA-N;148.07;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110118;MM110118;C=C1CC(=O)C(=O)O1;HQTBIXGREIETAX-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110119;MM110119;Oc1cc(F)oc1O;HWCIGZALJWOBFJ-UHFFFAOYSA-N;118.06;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110120;MM110120;C=c1[nH]c(=N)[nH]c1=C;HQOUCLLPLLMILS-UHFFFAOYSA-N;109.13;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110121;MM110121;C=c1[nH]c(=O)[nH]c1=C;MXTBXYKMUJRBBJ-UHFFFAOYSA-N;110.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110122;MM110122;C=C1NC(=N)NC1=N;DTMRFMPGZGYVJG-UHFFFAOYSA-N;110.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110123;MM110123;C=C1NC(=O)NC1=N;HMZAZTQNDFEXRY-UHFFFAOYSA-N;111.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110124;MM110124;C=C1NC(=N)NC1=O;AYIVVDPCGPVFJN-UHFFFAOYSA-N;111.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110125;MM110125;C=C1NC(=N)C(=N)N1;JEASWGOPDRNQCL-UHFFFAOYSA-N;110.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110126;MM110126;N=C1NC(=N)C(=N)N1;BCOBJMWLRLFTAE-UHFFFAOYSA-N;111.11;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110127;MM110127;N=C1NC(=O)NC1=N;PTCQHJIGPSEOGA-UHFFFAOYSA-N;112.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110128;MM110128;CN=C(N)C(=O)NC=NN;QJIFSNZFLHAANR-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110129;MM110129;N=C1NC(=N)C(=O)N1;GQKJSVSEHWKELH-UHFFFAOYSA-N;112.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110130;MM110130;C=C1NC(=O)C(=O)N1;VYPAOMQPRRBHEP-UHFFFAOYSA-N;112.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110131;MM110131;N=C1NC(=O)C(=O)N1;LJNPGDUZKWVTLX-UHFFFAOYSA-N;113.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110132;MM110132;O=C1NC(=O)C(=O)N1;ZFLIKDUSUDBGCD-UHFFFAOYSA-N;114.06;-1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110133;MM110133;C#CC#CCNNC=NO;YRMDMEGLZMCZKL-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110134;MM110134;C=c1[nH]c(=N)c(=C)o1;FMAWKJWMVOVNBD-UHFFFAOYSA-N;110.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110135;MM110135;Cc1nc(C)c(F)[nH]1;BFIZGEFBBYPKMU-UHFFFAOYSA-N;114.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110136;MM110136;NC1=CC(=NO)OC1;ITWKNEREZQKBHG-UHFFFAOYSA-N;114.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110137;MM110137;N=C1NC(=O)OC1=O;PHNLLRSQLYZKDT-UHFFFAOYSA-N;114.06;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110138;MM110138;C=c1[nH]c(=O)c(=C)o1;OFZJLSRYUGGLRC-UHFFFAOYSA-N;111.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110139;MM110139;C=C1NC(=O)C(=O)O1;BANDDRUGPGUGQJ-UHFFFAOYSA-N;113.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110140;MM110140;N=C1NC(=O)C(=O)O1;CHAUJDUBKAGMTG-UHFFFAOYSA-N;114.06;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110141;MM110141;O=C(C=NO)C(=O)CF;IOISPKCFGPMERX-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110142;MM110142;C=C1OC(=O)OC1=O;MEJOHJYDIIMONQ-UHFFFAOYSA-N;114.06;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110143;MM110143;O=C1OC(=O)C(=O)O1;OZFYLWJXTMMTTG-UHFFFAOYSA-N;116.03;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110144;MM110144;CC1=CC(C)C(C)C1;CYSKPDLWDAFORP-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110145;MM110145;CC1C=C(F)CC1C;TYJZZFVOVRXPAX-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110146;MM110146;CC1=CC(N)C(C)C1;SUJIXKOWTWQQRW-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110147;MM110147;CC1CC(F)=CC1N;YYKBARWYGVRDMZ-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110148;MM110148;Cc1ncn(C)c1O;IFOVRTMMBLSWRC-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110149;MM110149;CC1CC(F)=CC1O;QFUGDLODACXRMS-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110150;MM110150;CC1=CC(F)C(C)C1;DMBLPYNIRQVPKP-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110151;MM110151;CC1CC(F)=CC1F;CCNYZGYWXUFZQM-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110152;MM110152;CC1=CC(C)C(N)C1;HAZUPMQNNVBXSR-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110153;MM110153;CC1C=C(F)CC1N;RPRUPKPXWLGNKR-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110154;MM110154;CC1=CC(N)C(N)C1;NXIYFODUYXCDGQ-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110155;MM110155;NC1C=C(F)CC1N;SHIYIKQIAAADDJ-UHFFFAOYSA-N;116.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110156;MM110156;CC1=CC(O)C(N)C1;WAMNXAOIJZTQDB-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110157;MM110157;NC1CC(F)=CC1O;METFXNBJWLEQSM-UHFFFAOYSA-N;117.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110158;MM110158;CC1=CC(F)C(N)C1;KNOBIFDZTXDQOJ-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110159;MM110159;NC1CC(F)=CC1F;KNOBWSMALMIUFY-UHFFFAOYSA-N;119.11;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110160;MM110160;N=C(N)C(=O)CC(N)=O;YCVUFULCNCLHLZ-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110161;MM110161;CC1C=C(F)CC1O;LGUUTYIZPYPFNM-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110162;MM110162;CC1=CC(N)C(O)C1;OQZXWDYEJGVXJT-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110163;MM110163;NC1C=C(F)CC1O;HFTOTJGAEQYVTA-UHFFFAOYSA-N;117.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110164;MM110164;CC1=CC(O)C(O)C1;UCQXWLCWFFNQCE-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110165;MM110165;OC1C=C(F)CC1O;TVOKLUAKDYRTQR-UHFFFAOYSA-N;118.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110166;MM110166;CC1=CC(F)C(O)C1;QNVPBLJJHWVXNH-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110167;MM110167;CC1=CC(C)C(F)C1;MHEOGDYSAIGSLD-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110168;MM110168;CC1C=C(F)CC1F;NUAFIAMRSBFMCP-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110169;MM110169;CC1=CC(N)C(F)C1;IBDFKNNWJHFYSQ-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110170;MM110170;NC1C=C(F)CC1F;PYTLKNRCYMRMBU-UHFFFAOYSA-N;119.11;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110171;MM110171;CC1=CC(O)C(F)C1;DNKTYNNXOPNGSI-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110172;MM110172;CC1=NC(C)C(C)N1;VBAQHRRODCXYPB-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110173;MM110173;CC1=CC(C)C(C)O1;MYRUACIUXKQASA-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110174;MM110174;CC1=CC(N)C(C)O1;MEIPLFULFZMMQT-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110175;MM110175;CC1=CC(O)C(C)O1;AXBCFIJYEQIFKW-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110176;MM110176;CC1=CC(F)C(C)O1;OMCZODCMWPGKIO-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110177;MM110177;CC1=NN(C)C(C)C1;RLPGNQZLVNPBIQ-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110178;MM110178;CC1=CC(C)N(C)C1;HUNMAFWEHALZKQ-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110179;MM110179;C=C1C=C(C)CC1C;GTTNMXMJVLKXCE-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110180;MM110180;C=C1C=C(F)CC1C;ZPCBCTXHJPKSIS-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110181;MM110181;CC1=CC(=O)C(C)C1;SUZMRTGGJHYIBD-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110182;MM110182;CC1CC(N)=CC1=O;DAQLZEBVHQSGHM-UHFFFAOYSA-N;111.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110183;MM110183;CC1CC(F)=CC1=O;AGJNWYLSVHXPGE-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110184;MM110184;C=C1C=C(C)CC1N;LZGQCKJEVDDGNA-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110185;MM110185;C=C1C=C(F)CC1N;FQTFXQWDNYUUKA-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110186;MM110186;CN(N)C(C=NO)=NN;VGNGDUZJIQLHJV-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110187;MM110187;C=C1C=C(F)CC1O;USSKDVUUOMNPQU-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110188;MM110188;CC1=CC(=O)C(O)C1;UGNQDEPVSMDDQI-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110189;MM110189;NC1=CC(=O)C(O)C1;ASVNKGVDBQOHJN-UHFFFAOYSA-N;113.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110190;MM110190;O=C1C=C(F)CC1O;XCMZSUAESMMNFY-UHFFFAOYSA-N;116.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110191;MM110191;C=C1C=C(C)CC1F;LCQBCXFWUBVMPC-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110192;MM110192;C=C1C=C(F)CC1F;MXDRANYEPZLAMV-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110193;MM110193;CC1=CC(=O)C(F)C1;UYAQGQJPNZQLLL-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110194;MM110194;NC1=CC(=O)C(F)C1;FWMYYYZRPRXKDT-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110195;MM110195;O=C1C=C(F)CC1F;HNXSSCHFFAMAAN-UHFFFAOYSA-N;118.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110196;MM110196;Cc1cc(O)c(C)[nH]1;YXKVCJDRDUATSI-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110197;MM110197;Cc1[nH]c(N)cc1O;CZFSHLFTBVGUEB-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110198;MM110198;CC(CC1CN1C)=NO;PHFUQFSPVHGPTE-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110199;MM110199;C=C1C=C(C)OC1C;VTGKGIWEZAXGLU-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110200;MM110200;CC1=CC(=N)N(C)C1;ZRCCKASPHPCGFC-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110201;MM110201;CN1CC(N)=CC1=N;HYWKUSFIVFRQDH-UHFFFAOYSA-N;111.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110202;MM110202;CN1CC(F)=CC1=N;SSIJDGJPRNREDN-UHFFFAOYSA-N;114.12;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110203;MM110203;CC1=CC(=O)N(C)C1;DENOLZZKBNAHLW-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110204;MM110204;CN1CC(N)=CC1=O;LLKBFUAESPZHHA-UHFFFAOYSA-N;112.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110205;MM110205;CC1=CC(=N)N(N)C1;TWHCAQBXJBZYDC-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110206;MM110206;N=C1C=C(N)CN1N;TYFKFOYOSYCSQL-UHFFFAOYSA-N;112.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110207;MM110207;CC1=CC(=O)N(N)C1;UPQCOMVPBDVKOG-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110208;MM110208;NC1=CC(=O)N(N)C1;VHOZVRLGWWWQEA-UHFFFAOYSA-N;113.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110209;MM110209;CNc1nc(O)c(C)[nH]1;CECPWRTXSKNCQC-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110210;MM110210;CC1=CC(=O)N(O)C1;BLQPINUOIQWKRT-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110211;MM110211;Cn1[nH]c(N)cc1=O;YGVFIVSNVVUSCS-UHFFFAOYSA-N;113.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110212;MM110212;Nc1nn(N)c(=O)n1O;GARRHWBIRYJOPF-UHFFFAOYSA-N;131.1;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110213;MM110213;CC(F)C(F)C(=NO)NO;FMHIGRHENSUADP-UHFFFAOYSA-N;154.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110214;MM110214;CC1CC(C(C#N)=NO)C1;SGDKWVOWXUDRCE-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110215;MM110215;CC(=NO)C(C)(O)C(F)F;LJICHBTZSDNXMV-UHFFFAOYSA-N;153.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110216;MM110216;CC(F)CC(=NO)C(C)F;NNDODPXFHRCGMD-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110217;MM110217;CC(F)C#CC(O)C=NO;KTWKUAMRRCYBQK-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110218;MM110218;ON=c1[nH]c(F)c(F)[nH]1;AHQBSUODOFTPCC-UHFFFAOYSA-N;135.07;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110219;MM110219;Nc1c(O)c(F)n(N)c1O;DBLJGYMPHPPUGF-UHFFFAOYSA-N;147.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110220;MM110220;C=NOC(=O)NOCCO;FRGQMVGXEFDALT-UHFFFAOYSA-N;148.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110221;MM110221;Nn1oc(=O)cc1O;APWCMHQTJNZVHP-UHFFFAOYSA-N;116.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110222;MM110222;CON=CCC(CF)=NO;WPOMXLPBABZLLH-UHFFFAOYSA-N;148.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110223;MM110223;Cc1cc(=N)n(C)o1;YYQCLBZCFQLAAS-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110224;MM110224;Cn1oc(N)cc1=N;ZGHGBGQAHWTREM-UHFFFAOYSA-N;113.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110225;MM110225;Cc1cc(=O)n(C)o1;GJMOQRFSCLJMJT-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110226;MM110226;Cn1oc(N)cc1=O;QNEZKTAHYQWCMA-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110227;MM110227;Cn1oc(F)cc1=O;XPFOITABNFZOJF-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110228;MM110228;Cc1cc(=O)n(N)o1;TTWUCGUVJKJALS-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110229;MM110229;CC1C(=N)NN=C1CF;FMMILDCGCQGYIJ-UHFFFAOYSA-N;129.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110230;MM110230;Nn1oc(F)cc1=O;YHLNZGOYYJEOSS-UHFFFAOYSA-N;118.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110231;MM110231;ON=C1C=C(CF)CN1;QKNLUQOTQCAQHD-UHFFFAOYSA-N;130.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110232;MM110232;Nc1c(O)c(=O)n(O)n1N;VJILBXYOYJOIFD-UHFFFAOYSA-N;146.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110233;MM110233;N=c1cc(O)nnn1N;WVIDKOHGTOLVQM-UHFFFAOYSA-N;127.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110234;MM110234;N#CC#Cc1ncc(O)[nH]1;NKUHLBHNVPOYGI-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110235;MM110235;Cn1cnc(=N)c(=O)n1O;BLLZIUIFBLSJOP-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110236;MM110236;Cn1oc(N)nc1=N;BHMLTOFNSJEBFB-UHFFFAOYSA-N;114.11;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110237;MM110237;Cn1oc(F)nc1=N;TVUXZJIGJQKCDR-UHFFFAOYSA-N;117.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110238;MM110238;Cc1nc(=O)n(C)o1;NJIVPHXXWZMGHM-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110239;MM110239;Cn1oc(N)nc1=O;ONOJWNUAFHGBPN-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110240;MM110240;N=c1nc[nH]c(=N)o1;KHLREVXYNUKPSG-UHFFFAOYSA-N;112.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110241;MM110241;Cn1oc(F)nc1=O;AESKCZDCODQJAI-UHFFFAOYSA-N;118.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110242;MM110242;N=c1nc(N)on1N;INURXXMDEJMTSV-UHFFFAOYSA-N;115.1;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110243;MM110243;N=c1nc(F)on1N;AJOGWYZDPXAHNZ-UHFFFAOYSA-N;118.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110244;MM110244;Cc1nc(=O)n(N)o1;TXQDDWMGQNNQBU-UHFFFAOYSA-N;115.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110245;MM110245;CC(=NO)NC(=N)C=CF;LUYWZRLNTDMGAU-UHFFFAOYSA-N;145.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110246;MM110246;CC(F)C(C=O)C(=O)C=O;GPSRKRMPGZYWCT-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110247;MM110247;Nn1oc(F)nc1=O;HJKIRDOXRUKYSY-UHFFFAOYSA-N;119.06;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110248;MM110248;N=c1nc(N)on1O;POFNBXSEZANBHO-UHFFFAOYSA-N;116.08;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110249;MM110249;Nc1[nH]c(=O)c(=O)oc1F;MHLFOEHZSDYYOB-UHFFFAOYSA-N;146.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110250;MM110250;C=C(F)C(=N)NNC=NO;QJFOQWBHNYMLST-UHFFFAOYSA-N;146.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110251;MM110251;Cn1c(=O)[nH]c(=O)oc1=N;FYBXQZRRVIRPOJ-UHFFFAOYSA-N;143.1;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110252;MM110252;C=Cc1nn(C)n(O)c1=O;AKVXRUZPICJPPU-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110253;MM110253;Cc1nc(O)no1;TUHNVVKXNJNRHE-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110254;MM110254;C=C1Cc2oc1c(O)c2O;LARJCBDRUYWLAU-UHFFFAOYSA-N;138.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110255;MM110255;C=C1CC(C)=CC1C;VKASOGYUFLPUCQ-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110256;MM110256;C=C1CC(F)=CC1C;UGYFEYCLXROPKF-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110257;MM110257;C=C1CC(C)=CC1N;RAOPQCDIMAXQAS-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110258;MM110258;C=C1CC(F)=CC1N;NOQAGFCOATVITF-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110259;MM110259;Cc1nc(CC#N)cn1O;NLIOXHBXXJFRBC-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110260;MM110260;C=C1CC(F)=CC1O;KBNXRPJLNFNBON-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110261;MM110261;C=C1CC(C)=CC1F;XMBJVHTWFRVKSW-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110262;MM110262;C=C1CC(F)=CC1F;MPRXPMZYBCRNMA-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110263;MM110263;CC1=CC(C)C(=O)C1;PRRQKMLQNRMRTM-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110264;MM110264;CC1C=C(F)CC1=O;UNRQZQGDKGAZHV-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110265;MM110265;CC1=CC(O)C(=O)C1;JCRJXOZQRXNYFS-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110266;MM110266;O=C1CC(F)=CC1O;YGFWZDYKYGQHJO-UHFFFAOYSA-N;116.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110267;MM110267;CC1=CC(F)C(=O)C1;DTMLWVJAKBRUQG-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110268;MM110268;O=C1CC(F)=CC1F;FFVVNEZEAHFGOI-UHFFFAOYSA-N;118.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110269;MM110269;CC1=CC(C)C(=N)N1;XSBBHRILZRZDHY-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110270;MM110270;CC1=CC(N)C(=N)N1;MBWWMTWCUSUWAI-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110271;MM110271;CC1=CC(O)C(=N)N1;MUPXLMYNMJXDCB-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110272;MM110272;CC1=CC(C)C(=O)N1;ONMLRXAMASYDNW-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110273;MM110273;CC1=CC(O)C(=O)N1;RFDSGQYGUHUYFC-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110274;MM110274;CC1=CC(F)C(=O)N1;MCGAAMFHKDDORD-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110275;MM110275;C=C1NC(C)=NC1C;PBFIZTYOECLINL-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110276;MM110276;C=C1OC(C)=CC1C;CIZGZASZVQTCII-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110277;MM110277;C=C1OC(C)=CC1N;MOTYPOGLCAOUKP-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110278;MM110278;C=C1OC(C)=CC1O;AVDWRODDSQAAAB-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110279;MM110279;C=C1OC(C)=CC1F;XMEBJBQMIYYXGO-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110280;MM110280;CC1=CC(C)C(=O)O1;QHAFLRJSQVBCKE-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110281;MM110281;CC1=CC(O)C(=O)O1;MWSBCBYZVXIUGT-UHFFFAOYSA-N;114.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110282;MM110282;CC1=CC(F)C(=O)O1;HCHAFKXOABKSGO-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110283;MM110283;CC1=CN(C)C(=N)C1;BDCYTJQZALMATO-UHFFFAOYSA-N;110.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110284;MM110284;CN1C=C(F)CC1=N;WFKLRXKMMODJRI-UHFFFAOYSA-N;114.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110285;MM110285;CC1=CN(N)C(=N)C1;DGBGIHJYDMSBJX-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110286;MM110286;CC1=CN(O)C(=N)C1;IYFSIGSKVSNCQM-UHFFFAOYSA-N;112.13;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110287;MM110287;C=C(NC=NO)C(F)C=O;SSIRLHYUARJRJJ-UHFFFAOYSA-N;146.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110288;MM110288;CC1=CN(C)C(=O)C1;CULKDRFFJKWCPL-UHFFFAOYSA-N;111.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110289;MM110289;CN1C=C(F)CC1=O;DPMLPWKJRBYBRI-UHFFFAOYSA-N;115.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110290;MM110290;CC1=CN(N)C(=O)C1;AMXMTXDQQZHGAL-UHFFFAOYSA-N;112.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110291;MM110291;NN1C=C(F)CC1=O;FEIJVQDBYPNJEK-UHFFFAOYSA-N;116.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110292;MM110292;CC1=CN(O)C(=O)C1;XDPBROFPSKAIRN-UHFFFAOYSA-N;113.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110293;MM110293;C=CNC1=NN=C(CO)C1;HDJUEBRFLFHAAU-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110294;MM110294;CCC=NNC=CC=NO;WRFIRCFLSZHVTK-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110295;MM110295;Cc1cn(C)c(=N)[nH]1;LBNUVHAZHQZPHM-UHFFFAOYSA-N;111.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110296;MM110296;Cn1cc(N)[nH]c1=N;YUWWPKCGUGXSGK-UHFFFAOYSA-N;112.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110297;MM110297;Cn1cc(O)[nH]c1=N;BTXYOFGSUFEOLA-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110298;MM110298;Cn1cc(F)[nH]c1=N;NHOSDCXLFROBQN-UHFFFAOYSA-N;115.11;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110299;MM110299;Cc1cn(N)c(=N)[nH]1;KGSFSCUNQJGUQM-UHFFFAOYSA-N;112.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110300;MM110300;N=c1[nH]c(N)cn1N;RGAXENTYJIBIAF-UHFFFAOYSA-N;113.12;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110301;MM110301;N=c1[nH]c(O)cn1N;UWTSZHGUPUUGNH-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110302;MM110302;N=c1[nH]c(F)cn1N;GLOKNFUYXDDFQF-UHFFFAOYSA-N;116.1;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110303;MM110303;Cc1cn(O)c(=N)[nH]1;CKIZLJMXZOHRBY-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110304;MM110304;N=c1[nH]c(N)cn1O;RVCZWZVIKZCJPI-UHFFFAOYSA-N;114.11;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110305;MM110305;Cc1cn(C)c(=O)[nH]1;HMNBBWXXNYVGPS-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110306;MM110306;Cn1cc(N)[nH]c1=O;UQTVCDMAFPZUJY-UHFFFAOYSA-N;113.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110307;MM110307;Cc1cn(N)c(=O)[nH]1;XJASQQGETQAHKM-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110308;MM110308;Nc1cn(N)c(=O)[nH]1;DTTOPLKIABPOAR-UHFFFAOYSA-N;114.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110309;MM110309;Cc1oc(O)c(O)c1O;BMTKEOXCYXXMTI-UHFFFAOYSA-N;130.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110310;MM110310;CNC(=O)C(=NO)C(C)F;OFKZLZFCHCKNQO-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110311;MM110311;Cn1nc(N)[nH]c1=N;REFNCKLJAUXDRN-UHFFFAOYSA-N;113.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110312;MM110312;N=c1[nH]c(N)nn1N;CDUTYHNMJXOWSR-UHFFFAOYSA-N;114.11;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110313;MM110313;N=c1[nH]c(N)nn1O;GMRAARRQMUXCAP-UHFFFAOYSA-N;115.1;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110314;MM110314;NN=c1[nH]c(=O)ncn1O;ZMKPVMVAJWSMQC-UHFFFAOYSA-N;143.11;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110315;MM110315;ON=CC(F)=CF;YDPGRQXXUZCUJY-UHFFFAOYSA-N;107.06;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110316;MM110316;CC(C)=CCC(C#N)=NO;HPKFKJMAGNYTFP-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110317;MM110317;N#CC1=CC(=O)NC1;KVAZUTAIKGLPPV-UHFFFAOYSA-N;108.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110318;MM110318;Cc1cn(C)c(=N)o1;FCCPYMNEOMUFTN-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110319;MM110319;Cn1cc(N)oc1=N;TYDFEWYTBDDSEV-UHFFFAOYSA-N;113.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110320;MM110320;N=c1oc(F)cn1N;HPAANKXGQVWKOY-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110321;MM110321;O=CC1C=CC(=NO)CN1;MNELQISDVOTMBR-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110322;MM110322;N=C(C=NO)NC=NN;MFTFDUHUCDOASB-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110323;MM110323;Cc1cn(C)c(=O)o1;WITLFTXLILMAKD-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110324;MM110324;Cn1cc(N)oc1=O;OSWOGDWETLKZSG-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110325;MM110325;CNn1nc(N)n(O)c1=O;DTHJQCYTCFFDLU-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110326;MM110326;Cn1cc(F)oc1=O;MULOTHNFRLXWQH-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110327;MM110327;Cc1cn(N)c(=O)o1;BQVKTVQJOJQTAG-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110328;MM110328;Nc1nc(O)n(O)c1N;IMYAQONNLZDYAT-UHFFFAOYSA-N;130.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110329;MM110329;OCc1cc(F)n(O)n1;RRBOLLPHTIYQLW-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110330;MM110330;Nn1cc(F)oc1=O;YKCQXTHXANRDCW-UHFFFAOYSA-N;118.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110331;MM110331;C#Cc1nnc(N)[nH]c1=O;BNCYBEZCXMVNLM-UHFFFAOYSA-N;136.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110332;MM110332;C#CC(=O)CC(CO)=NO;JKOZGOHRFVJVRM-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110333;MM110333;CCC(CF)C(CF)=NO;JEXZFLMDVVQWCN-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110334;MM110334;Nc1nc(O)cc(=O)n1O;WVGAFAYUSQUBBE-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110335;MM110335;Cc1nn(C)c(=N)o1;UUGALEVUJFFKFV-UHFFFAOYSA-N;113.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110336;MM110336;C=C1NC(=NO)CC1O;CMJSNIQAYXUEEC-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110337;MM110337;CC(O)(CO)C(F)C=NO;QNTPDBRVDANEKI-UHFFFAOYSA-N;151.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110338;MM110338;Cn1nc(F)oc1=N;APANKEROINRUKQ-UHFFFAOYSA-N;117.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110339;MM110339;Cc1nn(N)c(=N)o1;WDHIHMNJEUPEEV-UHFFFAOYSA-N;114.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110340;MM110340;CC(=N)NC(=O)C#CC#N;AXYGMACDRKNVJI-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110341;MM110341;C=Cc1cnn(C=C)c1O;HAMVWTVIROFKGF-UHFFFAOYSA-N;136.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110342;MM110342;N=c1oc(F)nn1N;ZJZVKRCPKKPRKN-UHFFFAOYSA-N;118.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110343;MM110343;CCNNC(=O)C(F)CC;FATKZWUQMDVBFH-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110344;MM110344;C#CC(C)C(N)=CC=NO;AYIYOPKSEOCXOZ-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110345;MM110345;Oc1[nH]cnc1F;QGWBOQFNMYJDEP-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110346;MM110346;Cc1nc(CF)c(N)n1O;UMCHVWDKTQMSGV-UHFFFAOYSA-N;145.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110347;MM110347;Cc1nn(C)c(=O)o1;MBVCTQKXEGCCCL-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110348;MM110348;CCC(C=CC=NO)=NN;BVAFYYCQFKBSNB-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110349;MM110349;C=Cc1cc(O)n[nH]1;YGIAGQVZKYAVCD-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110350;MM110350;Cn1nc(F)oc1=O;FKGXZTGRPMFSMD-UHFFFAOYSA-N;118.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110351;MM110351;Cc1nn(N)c(=O)o1;UHTIRZYRYBUANU-UHFFFAOYSA-N;115.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110352;MM110352;CNN=C(C)C(=NO)NN;ZWZRWVPYKDKCSF-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110353;MM110353;N=c1n(O)c(=O)n(N)n1N;LMISDZJEUJNMEA-UHFFFAOYSA-N;146.11;-3.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110354;MM110354;Nn1nc(F)oc1=O;OVOPICOGLYBZMQ-UHFFFAOYSA-N;119.06;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110355;MM110355;Cn1c(O)cn(O)c1=O;RTIRWDYGVPUXBC-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110356;MM110356;O=c1[nH]c(O)cn1O;VFZZMGUFOQQIQO-UHFFFAOYSA-N;116.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110357;MM110357;Nc1cn(O)c(=O)n1O;GXMHSBPTWZVDNX-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110358;MM110358;Oc1c(O)c(O)n(O)c1O;POUUJONMQBKEJQ-UHFFFAOYSA-N;147.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110359;MM110359;C=C1C=C(C)CC1=C;NNSWDVILAJAUJI-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110360;MM110360;C=C1C=C(F)CC1=C;KWYFBNOGGDEDCF-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110361;MM110361;C=C1CC(C)=CC1=O;BISAQEREUNKIGN-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110362;MM110362;C=C1CC(N)=CC1=O;GJNKQULVEVWCHV-UHFFFAOYSA-N;109.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110363;MM110363;C=C1CC(F)=CC1=O;RIKQZGTYDSFDCZ-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110364;MM110364;C=C1C=C(C)CC1=O;MQWFJWHKFUJTHQ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110365;MM110365;C=C1C=C(F)CC1=O;JFZCLHGBHXTHSU-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110366;MM110366;CC1=CC(=O)C(=O)C1;JBZKIASVXXDEQK-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110367;MM110367;NC1=CC(=O)C(=O)C1;WACNDVSOWJHCPM-UHFFFAOYSA-N;111.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110368;MM110368;O=C1C=C(F)CC1=O;ZLOXDALRPQLSFR-UHFFFAOYSA-N;114.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110369;MM110369;C=C1C=C(C)NC1=N;ACVPPKPILTWCCR-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110370;MM110370;C=NNC1=NC=C(CF)C1;HUIIDMLAMKIIEE-UHFFFAOYSA-N;141.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110371;MM110371;C=NN1CCC(=NO)CC1;GIMGIEDLYMYJQO-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110372;MM110372;C=C1C=C(C)NC1=O;JOUFVFWZTCRDAY-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110373;MM110373;CC1=CC(=O)C(=O)N1;DSPCMNSCVWXAIZ-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110374;MM110374;NC1=CC(=O)C(=O)N1;GVVXDGCOCGOHHE-UHFFFAOYSA-N;112.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110375;MM110375;C=C1N=C(C)NC1=O;WGJKXLHRNOGWAP-UHFFFAOYSA-N;110.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110376;MM110376;NC(N)=CC=NO;CSRYQZDEJZBWAL-UHFFFAOYSA-N;101.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110377;MM110377;CC1=NC(=N)C(=O)N1;BBQXAFKGRCRLOA-UHFFFAOYSA-N;111.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110378;MM110378;CC1=NC(=O)C(=O)N1;LGIBLFRXBLZDCO-UHFFFAOYSA-N;112.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110379;MM110379;C=c1cc(C)oc1=C;PQQTYIFODKERGS-UHFFFAOYSA-N;108.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110380;MM110380;C=C1OC(C)=CC1=O;KBGUBPZSYSYPMW-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110381;MM110381;C=C1OC(N)=CC1=O;PGBKVIBPSOMKMF-UHFFFAOYSA-N;111.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110382;MM110382;C=C1C=C(C)OC1=O;VSCQUTIRTQKBRX-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110383;MM110383;CC1=CC(=O)C(=O)O1;XWWOSPUPAFVYDK-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110384;MM110384;NC1=CC(=O)C(=O)O1;CPDANRIRHHIPSV-UHFFFAOYSA-N;113.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110385;MM110385;C=C1OC(C)=NC1=N;DIWHQVJHLARFPT-UHFFFAOYSA-N;110.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110386;MM110386;C=C1OC(C)=NC1=O;DBCHMUGQSXYHFX-UHFFFAOYSA-N;111.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110387;MM110387;CC1=NC(=N)C(=O)O1;YOTAMOURELWDPI-UHFFFAOYSA-N;112.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110388;MM110388;CC1=NC(=O)C(=O)O1;YXLJCOIZGOOFDH-UHFFFAOYSA-N;113.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110389;MM110389;CC1=CC(C)CC1C;OWPJONKQLQZFEP-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110390;MM110390;CC1=CC(N)CC1C;AMQKKDIRQZSARQ-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110391;MM110391;Cc1[nH]c(N)nc1O;ZIUBMUOOBBMZHJ-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110392;MM110392;CC1=CC(F)CC1C;YXJVJOPRDYNZDB-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110393;MM110393;CC1C=C(F)C(C)C1;XCYLOWVFRNUZNK-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110394;MM110394;CC1CC(N)C=C1F;IRCUYZHFSXGUDS-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110395;MM110395;CC1CC(O)C=C1F;CMDVSZITVYUNLE-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110396;MM110396;CC1CC(F)C=C1F;OHKGTVFNEBSFOF-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110397;MM110397;CC1=CC(C)CC1N;HIFWGCGXSDSQTA-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110398;MM110398;CC1=CC(N)CC1N;HHZGDHMMJDSOMW-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110399;MM110399;CC1=CC(O)CC1N;OZLFQPMXLCDCFT-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110400;MM110400;CC1=CC(F)CC1N;DCFWTJLYNJRFFG-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110401;MM110401;CC1C=C(F)C(N)C1;FGHWQFPFIYBBFR-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110402;MM110402;NC1C=C(F)C(N)C1;JRDSWJPCGHEDLY-UHFFFAOYSA-N;116.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110403;MM110403;CC1NC(=N)N(C)C1=O;MQZYKBXQSBLSLE-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110404;MM110404;CC1=CC(N)CC1O;FUSMHZDFNGGLSI-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110405;MM110405;CC1=CC(O)CC1O;RSSYMIFMUFBEAL-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110406;MM110406;CC1=CC(F)CC1O;HGBMZXZWFZEAPD-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110407;MM110407;CC1C=C(F)C(O)C1;IMFZHMIDCBTUTG-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110408;MM110408;NC1C=C(F)C(O)C1;XHJZOHBSXSJHHO-UHFFFAOYSA-N;117.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110409;MM110409;OC1C=C(F)C(O)C1;SKWOPAAZBHCNGJ-UHFFFAOYSA-N;118.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110410;MM110410;OC1CC(F)C=C1F;OZRFRXSWJMLZNC-UHFFFAOYSA-N;120.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110411;MM110411;CC1=CC(C)CC1F;GKEPNSWRHKJYIH-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110412;MM110412;CC1=CC(N)CC1F;PBNCITNYBOXETJ-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110413;MM110413;CC1=CC(O)CC1F;GRQOABSBSFABEZ-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110414;MM110414;CC1=CC(F)CC1F;AXUGROBWMUBMLE-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110415;MM110415;CC1=CC(C)NC1C;WUMLVDFDMRAFGA-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110416;MM110416;CC1C=C(F)C(C)N1;QVUCKMIFODKIAP-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110417;MM110417;CC1=CC(C)OC1C;RTPZOHJDYXVIFB-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110418;MM110418;CC1C=C(F)C(C)O1;HAPKHEAWEBVLFI-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110419;MM110419;CC1=NN(C)CC1C;UWCOGVAFZZBWAT-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110420;MM110420;CCC1=CC(=N)C(=O)N1;IINJKXZDMGVOER-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110421;MM110421;CC1=NN(C)CC1F;YPMOMQINTSYWNY-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110422;MM110422;CC1=NC(C)CN1C;HJSYENHCQNNLAS-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110423;MM110423;CC1=NC(C)CN1N;GHFNRXUOTISCKJ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110424;MM110424;C=C1C=C(C)C(C)C1;CBQKWUZWVNUEEB-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110425;MM110425;CC1=CC(=O)CC1C;XSOSLVVAKBKYRV-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110426;MM110426;CC1CC(=O)C=C1N;OUCRPTLAJBMDEA-UHFFFAOYSA-N;111.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110427;MM110427;C=C1C=C(F)C(C)C1;GGFZFXDNYXWLQO-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110428;MM110428;CC1CC(=O)C=C1F;BQHKEGLQQMVNKY-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110429;MM110429;C=C1C=C(C)C(N)C1;AFLLYAHVQQCDAW-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110430;MM110430;CCC(=O)NC(=N)NC=O;RJPLGGBRTZWJOW-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110431;MM110431;CC1=CC(=O)CC1O;KIVGTAHFUGZMGW-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110432;MM110432;NC1=CC(=O)CC1O;PCZUKPUEVAKDIL-UHFFFAOYSA-N;113.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110433;MM110433;C=C1C=C(F)C(O)C1;DVZFCJSKECHRMP-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110434;MM110434;O=C1C=C(F)C(O)C1;XPCQLYMPGBUUQY-UHFFFAOYSA-N;116.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110435;MM110435;C=C1C=C(C)C(F)C1;ZPANZIREODEKCE-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110436;MM110436;CC1=CC(=O)CC1F;PLJWDMQPCFEXQQ-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110437;MM110437;NC1=CC(=O)CC1F;USXGJYOLZYMFMC-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110438;MM110438;C=C1C=C(F)C(F)C1;XMUAGDZIORPONE-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110439;MM110439;CC1=CC(=N)NC1C;FPKVVZXBNXKEBL-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110440;MM110440;CC1=CC(=O)NC1C;LUGZVYDAXUAFCZ-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110441;MM110441;CC1NC(=N)C=C1N;BKNAXFFZUUPIDG-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110442;MM110442;CC1NC(=O)C=C1N;WYSIOQAJCIYMPC-UHFFFAOYSA-N;112.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110443;MM110443;CC1NC(=N)C=C1F;HRHWZOOBUALMNK-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110444;MM110444;CC1NC(=O)C=C1F;ZPKQVFKRXRLXEC-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110445;MM110445;C=C1C=C(C)C(C)O1;YCLYWIMXHOBIND-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110446;MM110446;CC1=CC(=O)OC1C;GLCOTRLUPUIAFI-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110447;MM110447;CC1OC(=O)C=C1N;IXOOBJLFCYIKSF-UHFFFAOYSA-N;113.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110448;MM110448;C=C1C=C(F)C(C)O1;FFNQOTNLVWCGJK-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110449;MM110449;CC1OC(=O)C=C1F;SUCGDGODSIIMKE-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110450;MM110450;Cc1cc(O)cn1C;JCFKPRXPACTFOA-UHFFFAOYSA-N;111.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110451;MM110451;Cn1cc(O)cc1N;BSQKSMLFLPWRDI-UHFFFAOYSA-N;112.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110452;MM110452;CC1=NC(=O)CN1C;CYMQBDRZXKIYFZ-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110453;MM110453;CN(C=O)NC(=N)C=NO;VAFCYCSPPRLXJX-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110454;MM110454;CCCC1=CC(=N)C(=O)N1;BJHRNCYFZXPLMK-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110455;MM110455;CCNNC(=O)NC=NO;PLUNYIXHOCUFNS-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110456;MM110456;CC1=NC(=O)CN1O;MRWVKZFSIYXWBM-UHFFFAOYSA-N;114.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110457;MM110457;Cc1cc(N)nn1C;YGRLFMMSIGPOOI-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110458;MM110458;C=Cc1nc(=O)o[nH]1;USWHHEHQZJHOIJ-UHFFFAOYSA-N;112.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110459;MM110459;Cn1nc(N)cc1N;WKMWPNCWMKQIER-UHFFFAOYSA-N;112.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110460;MM110460;Oc1ccoc1F;OXTOVIUIAXMHAB-UHFFFAOYSA-N;102.06;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110461;MM110461;O=CC(=NO)C(C=O)=NO;CTFCAPOYOXFCQU-UHFFFAOYSA-N;144.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110462;MM110462;CC(CCCC=NO)=NN;LUQWLJMRKJJHLO-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110463;MM110463;CC(O)C(=NO)C(=O)NO;HMQDZPBIHSJJPB-UHFFFAOYSA-N;148.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110464;MM110464;Cc1cc(N)nn1N;VKFSSEFYMPTJEQ-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110465;MM110465;Cn1nc(N)c(=O)n1O;CYWYNESNJOXCPZ-UHFFFAOYSA-N;130.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110466;MM110466;Nc1cc(N)n(N)n1;RIDGGMLMZGLBPD-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110467;MM110467;O=c1cnccn1O;NWPTWKIFQCHKNZ-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110468;MM110468;Nc1nc(F)cc(=O)n1O;RFRZDACKGCGSKY-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110469;MM110469;C=COC1=CC(=NO)CN1;DOHWGQDUWVTUBN-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110470;MM110470;C#CC(=NO)C(O)C=O;QWCMGWHUXSZIJH-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110471;MM110471;Cc1cc(N)nn1O;RUXCCHPWKMDZPJ-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110472;MM110472;C#CC(=NO)C(C)(O)C=O;UXZNNSRZVJEXJM-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110473;MM110473;Nc1cc(N)n(O)n1;OHBHWSNKPLOPEG-UHFFFAOYSA-N;114.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110474;MM110474;CNc1nnc(N)c(=O)[nH]1;FOKGLUVIZCFBLT-UHFFFAOYSA-N;141.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110475;MM110475;CC=Cc1cc(O)n[nH]1;YNCDRRVDCCIOQG-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110476;MM110476;CN=c1oc(O)c(O)n1O;GXEIMQXWNNFKID-UHFFFAOYSA-N;146.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110477;MM110477;N=c1n(O)c(O)c(F)n1O;GJDWNHVECHBJOG-UHFFFAOYSA-N;149.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110478;MM110478;Cc1cc(=O)on1C;JFDILYXRXNVVFA-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110479;MM110479;Cn1oc(=O)cc1N;GXNDRIMNFKYUGV-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110480;MM110480;Cn1oc(=O)cc1F;USFBTCPVFWDVPW-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110481;MM110481;Cc1cc(=O)on1N;SYMNLCYTITXTSY-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110482;MM110482;Nc1cc(=O)on1N;WYFYHAYNAWCZPM-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110483;MM110483;N=c1c(=O)n(O)ccn1O;CLTWXZZSMREJSA-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110484;MM110484;Nn1oc(=O)cc1F;RUYLFGNAWLSEKS-UHFFFAOYSA-N;118.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110485;MM110485;Cc1cc(=O)on1O;OZKIDACTBAUUAF-UHFFFAOYSA-N;115.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110486;MM110486;Nc1cc(=O)on1O;HEERNZQUOSEETA-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110487;MM110487;Cn1ncnc(O)c1=N;JWRXVOJXCDQGBM-UHFFFAOYSA-N;126.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110488;MM110488;O=c1cc(F)n(O)o1;LFUFSSGMSSVGFA-UHFFFAOYSA-N;119.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110489;MM110489;Cc1nc(=N)on1C;JNPOTUGZFKCVEI-UHFFFAOYSA-N;113.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110490;MM110490;Cc1nc(=O)on1C;AHCDCEPXZRPVGZ-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110491;MM110491;Cn1oc(=N)nc1N;BHMLTOFNSJEBFB-UHFFFAOYSA-N;114.11;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110492;MM110492;Cn1oc(=O)nc1N;FTNFPKFCNLNYMF-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110493;MM110493;NN=c1ccnc(O)n1N;YSTCIPHIIRWFES-UHFFFAOYSA-N;141.13;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110494;MM110494;Cc1c(O)cnn1C=N;DKUGISSNMGDCQF-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110495;MM110495;Cc1nc(=N)on1N;GDCKYUWYSJQEIL-UHFFFAOYSA-N;114.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110496;MM110496;Cc1nc(=O)on1N;LNZQFORUWUZZSS-UHFFFAOYSA-N;115.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110497;MM110497;N=c1nc(N)n(N)o1;INURXXMDEJMTSV-UHFFFAOYSA-N;115.1;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110498;MM110498;CC1=NC(=NO)CN1;YTYRYSKMPZKXHR-UHFFFAOYSA-N;113.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110499;MM110499;CN=c1[nH]c(=N)on1O;JGMIIWWQKVTQNY-UHFFFAOYSA-N;130.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110500;MM110500;Cn1nc(O)c(=O)oc1=O;NAHALIXMGYUOHH-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110501;MM110501;C=NNc1cnon1;RVSCLMXBWAOMNT-UHFFFAOYSA-N;112.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110502;MM110502;Cc1nc(=O)on1O;RXXBLWGKHUTHAF-UHFFFAOYSA-N;116.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110503;MM110503;Nc1nc(=O)on1O;WMIDUIWCHJWYPH-UHFFFAOYSA-N;117.06;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110504;MM110504;O=c1cc(O)[nH]o1;RYFNPVDIKDNWEO-UHFFFAOYSA-N;101.06;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110505;MM110505;Cn1c(N)c(F)c(=O)n1O;IDTXVJNKATXORG-UHFFFAOYSA-N;147.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110506;MM110506;C=C1CC(C)C=C1C;CXEKJLNKBHIVKS-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110507;MM110507;C=C1CC(N)C=C1C;CXLDFIFYIHPTFJ-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110508;MM110508;O=CC1CNC(=NO)C1;KEVNEZBPPFBYJN-UHFFFAOYSA-N;128.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110509;MM110509;C=C1CC(F)C=C1C;OCKLLBAAZUOUNL-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110510;MM110510;C=C1CC(C)C=C1F;UXUIYSSTDYKERJ-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110511;MM110511;C=C1CC(N)C=C1F;KSHNMONRXCMWLK-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110512;MM110512;C=C1CC(O)C=C1F;QJWOLFCSMXINRV-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110513;MM110513;C=C1CC(F)C=C1F;YXQKHKRJLUEKRC-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110514;MM110514;CC1=CC(C)CC1=O;WYBXIBXMYAWJPJ-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110515;MM110515;CC1=CC(O)CC1=O;QSAULTQZSJKLPS-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110516;MM110516;CC1=CC(F)CC1=O;WRWGRAKISQQQKV-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110517;MM110517;CC1C=C(F)C(=O)C1;LEPCUUYGZZUCBB-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110518;MM110518;O=C1CC(O)C=C1F;JCYMCENPQZGGCK-UHFFFAOYSA-N;116.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110519;MM110519;O=C1CC(F)C=C1F;DGQIOPHNSMECSZ-UHFFFAOYSA-N;118.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110520;MM110520;CC1=CC(C)NC1=N;DEASVTFLZGYFPW-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110521;MM110521;CC1=CC(C)NC1=O;WYUWENAFERRNRA-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110522;MM110522;CC1C=C(F)C(=O)N1;VDJUILOYOYKMIA-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110523;MM110523;C=C1OC(C)C=C1C;WTEJQUBLNOYBOA-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110524;MM110524;C=C1OC(C)C=C1F;RDVJUAQTZMDUBR-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110525;MM110525;CC1=CC(C)OC1=O;SAXRUMLUKZBSTO-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110526;MM110526;CC1C=C(F)C(=O)O1;XICGHANGWDPAPD-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110527;MM110527;Cc1cn(C)cc1O;BFANNPXWTAWNKB-UHFFFAOYSA-N;111.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110528;MM110528;C=C1CN(C)N=C1C;OJRQMXDWSVVQNF-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110529;MM110529;Nc1cc(F)nc(=O)n1O;XZCWHHJITKNJQI-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110530;MM110530;Cc1cn(C)nc1N;GZJVUJXNJCCGEC-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110531;MM110531;N#CCNNC(=O)NC=N;DYQQIXZMYVFQKR-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110532;MM110532;Cc1cn(O)nc1N;DNQPBGWPPNDJEU-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110533;MM110533;N=C(NC=O)N(O)C=NN;VGJFRZRHQHHOHZ-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110534;MM110534;C#CCc1cn(O)c(C)n1;WXOZPOLEZKZIMQ-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110535;MM110535;Nc1cn(O)nc1N;AORWVPWGHWQCOJ-UHFFFAOYSA-N;114.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110536;MM110536;O=c1[nH]oc2c(F)cnn12;FOCYDPYFCMCAPX-UHFFFAOYSA-N;143.08;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110537;MM110537;N#CC1(C=O)CC(=O)NO1;AVNWLWZPDGMEPV-UHFFFAOYSA-N;140.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110538;MM110538;CN1CC(=O)NC(=N)N1C;WRFHZODUMWEUNL-UHFFFAOYSA-N;142.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110539;MM110539;C#CC1(C)CC(=NO)NN1;KKKQBJBMXGBNRY-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110540;MM110540;Nc1nn(O)cc1F;PHRPWYNMQXWQTE-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110541;MM110541;CNc1coc(=O)n1O;BUYUBRSGQXLEEQ-UHFFFAOYSA-N;130.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110542;MM110542;Cc1nn(C)n(O)c1=O;FZTBUVLFJDPUTR-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110543;MM110543;O=Cc1coc(O)c1;OXTDTFTWGHZARN-UHFFFAOYSA-N;112.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110544;MM110544;C#Cc1cc(=O)n(C)[nH]1;CRCNBHHTCKNIHQ-UHFFFAOYSA-N;122.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110545;MM110545;Nc1occ(O)c1F;LDVGSKXNOGNHTI-UHFFFAOYSA-N;117.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110546;MM110546;N#CC(CCCO)=NO;DLYIFWSVSRUYBX-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110547;MM110547;C#CC(=NO)C(O)C(=C)F;KFEANUUHNGYRGT-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110548;MM110548;C#Cc1ncn(C=O)c1O;JNACTIYXLJJZAM-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110549;MM110549;N#CCC(CC(F)F)=NO;UCNLXZNKKNISMF-UHFFFAOYSA-N;148.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110550;MM110550;CCOCC(CO)=NO;ZNQGIXYUWQWLGT-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110551;MM110551;O=C(CF)C(O)C=NO;NJIFFQRQTORFGX-UHFFFAOYSA-N;135.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110552;MM110552;C=CN(N)C(C=NO)=NC;WBCJCRHZDQTIPT-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110553;MM110553;Cn1nc(N)c(F)n1;PBXWHHXTLKJQNH-UHFFFAOYSA-N;116.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110554;MM110554;Cn1oc(O)cc1=NO;PFWOXTKBPZYBHC-UHFFFAOYSA-N;130.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110555;MM110555;Cc1c(O)on(C)c1=NO;CITQMHLMTDVKET-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110556;MM110556;Cc1cn(N)oc1=O;LAHOYWJINSUWLN-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110557;MM110557;Cc1cn(O)oc1=O;LRRGRSKQWUJLAU-UHFFFAOYSA-N;115.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110558;MM110558;Cn1cc(N)c(=O)o1;MASRBMLUEFUXRW-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110559;MM110559;Nc1cn(N)oc1=O;BHLWNMPVQPJTOT-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110560;MM110560;Nc1cn(O)oc1=O;FQAABNLTIOCSKZ-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110561;MM110561;Cn1cc(O)c(=O)o1;IMDNXROVWCGVEJ-UHFFFAOYSA-N;115.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110562;MM110562;Nn1cc(O)c(=O)o1;DKSCQSKSVKVQJQ-UHFFFAOYSA-N;116.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110563;MM110563;O=c1on(O)cc1O;DMMXNLJGAFBJJN-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110564;MM110564;Cn1cc(F)c(=O)o1;VLCBGJTUEXRGSW-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110565;MM110565;Nn1cc(F)c(=O)o1;GKIZTEDQZGPDIO-UHFFFAOYSA-N;118.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110566;MM110566;O=c1on(O)cc1F;AZBZNCIXPOVIDG-UHFFFAOYSA-N;119.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110567;MM110567;Cc1nn(C)oc1=O;PFNRULXWJVYSAM-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110568;MM110568;Cn1nc(F)c(=O)o1;KYLMGPQBVWAVMX-UHFFFAOYSA-N;118.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110569;MM110569;C=C1C=C(C)C(=C)C1;OACVRAJZGOQECA-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110570;MM110570;C=C1CC(=O)C=C1C;PCHNTLAOCJZTAZ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110571;MM110571;C=C1CC(=O)C=C1N;WBJRLMGVEFSMBV-UHFFFAOYSA-N;109.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110572;MM110572;C=C1C=C(F)C(=C)C1;PVAIOUFZZOLYMY-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110573;MM110573;C=C1CC(=O)C=C1F;NOQLBPFWHXPEJE-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110574;MM110574;C=C1C=C(C)C(=O)C1;OZYCHADMWZASST-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110575;MM110575;CC1=CC(=O)CC1=O;YBLTZWVPLZWIQF-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110576;MM110576;NC1=CC(=O)CC1=O;GHKGYEOOXHAWTF-UHFFFAOYSA-N;111.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110577;MM110577;C=C1C=C(F)C(=O)C1;DYQPPZYWIQKDNN-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110578;MM110578;O=C1C=C(F)C(=O)C1;XVCHEZRSXGJYDT-UHFFFAOYSA-N;114.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110579;MM110579;C=C1NC(=N)C=C1C;HSDBVAJQFKGIPR-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110580;MM110580;C=C1NC(=O)C=C1C;DKRBWJDBLMUHFH-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110581;MM110581;C=C1NC(=N)C=C1N;CXMJFDZZAPKOGN-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110582;MM110582;C=C1NC(=O)C=C1N;OZSSNFPBIFCRGE-UHFFFAOYSA-N;110.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110583;MM110583;C=C1NC(=O)C=C1F;VFTHGZHMBIRBAZ-UHFFFAOYSA-N;113.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110584;MM110584;C=C1C=C(C)C(=N)N1;WVURRVZKDXPUDV-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110585;MM110585;CC1=CC(=N)NC1=N;RQCJXGCJMJSAGV-UHFFFAOYSA-N;109.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110586;MM110586;CNNC(=NO)OCC=O;PPEBYCODZDABPI-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110587;MM110587;N=C1C=C(N)C(=N)N1;PTNSXVCIUMCWNA-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110588;MM110588;NN=CN=C(NO)NC=O;JGMHCMCUYSRSHJ-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110589;MM110589;C=C1C=C(F)C(=N)N1;HRXSQTRGYJHGSM-UHFFFAOYSA-N;112.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110590;MM110590;C#CC(=NO)C(=N)NNC;QJLJUJSQAWKLSS-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110591;MM110591;N=C1NC(=O)C=C1F;COIGFVFUMBNFPY-UHFFFAOYSA-N;114.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110592;MM110592;C=C1C=C(C)C(=O)N1;QLBAWPOSZIUEAQ-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110593;MM110593;CN1C=NC(=NO)C1;TXNCTJATEZGMBR-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110594;MM110594;CC1=CC(=O)NC1=O;ZLPORNPZJNRGCO-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110595;MM110595;N=C1C=C(N)C(=O)N1;NLTJINXTTDBUPV-UHFFFAOYSA-N;111.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110596;MM110596;NC1=CC(=O)NC1=O;TUZVMPXGFZSNBG-UHFFFAOYSA-N;112.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110597;MM110597;C=C1C=C(F)C(=O)N1;QWYCBGOQBXJZRG-UHFFFAOYSA-N;113.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110598;MM110598;N=C1C=C(F)C(=O)N1;GJNOWWAPSOLFLE-UHFFFAOYSA-N;114.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110599;MM110599;C=C1NC(=N)N=C1C;PQXIHHOVVZQMAH-UHFFFAOYSA-N;109.13;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110600;MM110600;C=C1NC(=O)N=C1C;PTHAKJFCMIAMFS-UHFFFAOYSA-N;110.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110601;MM110601;CC1=NC(=O)NC1=N;OVSSNMBOBANPKY-UHFFFAOYSA-N;111.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110602;MM110602;CC1=NC(=N)NC1=O;BNTDRIFIAHDAQI-UHFFFAOYSA-N;111.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110603;MM110603;Cc1cc(O)n(C)n1;RAECFQNUIFBPCT-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110604;MM110604;C=c1cc(C)c(=C)o1;JNBGZERVQGWQKL-UHFFFAOYSA-N;108.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110605;MM110605;C=C1OC(=O)C=C1C;PZIGEMSVRBUELM-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110606;MM110606;C=C1OC(=O)C=C1N;STNYJAQEANVTKF-UHFFFAOYSA-N;111.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110607;MM110607;C=c1cc(F)c(=C)o1;USMFUIALJYEIRI-UHFFFAOYSA-N;112.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110608;MM110608;C=C1OC(=O)C=C1F;KONUWUVWEDANES-UHFFFAOYSA-N;114.08;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110609;MM110609;C=C1C=C(C)C(=O)O1;JTOAPCOQJLEHPT-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110610;MM110610;CC1=CC(=O)OC1=O;AYKYXWQEBUNJCN-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110611;MM110611;NC1=CC(=O)OC1=O;UQOVOTLBEHOFOR-UHFFFAOYSA-N;113.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110612;MM110612;C=C1C=C(F)C(=O)O1;ZTPLOYLPLKATED-UHFFFAOYSA-N;114.08;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110613;MM110613;O=C1C=C(F)C(=O)O1;VRWIOXNAJVBAFQ-UHFFFAOYSA-N;116.05;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110614;MM110614;CC1=NC(=N)OC1=O;ZPQRRLSLRASWIL-UHFFFAOYSA-N;112.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110615;MM110615;CC1=NC(=O)OC1=O;UUZNSBFUOCKKFP-UHFFFAOYSA-N;113.07;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110616;MM110616;CC1=CC(C)C(C)=C1;LQZFBZKVNOLRQK-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110617;MM110617;CC1=CC(F)=CC1C;LEOKAOYYHIRICE-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110618;MM110618;CC1=CC(C)C(F)=C1;LGJVIKOUTBOXDS-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110619;MM110619;CC1C=C(F)C=C1F;GIRTXXQPEZDPGZ-UHFFFAOYSA-N;116.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110620;MM110620;CC1=CC(N)C(C)=C1;VIPKIGHLVIEWET-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110621;MM110621;CC1=CC(F)=CC1N;LILUFHKAKSHQIN-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110622;MM110622;CC1=CC(O)C(C)=C1;MKBPKIALDNBLHL-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110623;MM110623;CC1=CC(F)=CC1O;MYRQLZCONNCBIJ-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110624;MM110624;CC1=CC(O)C(F)=C1;NTFOKJLTWZNZTO-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110625;MM110625;OC1C=C(F)C=C1F;FIQKEYZIDYEPQX-UHFFFAOYSA-N;118.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110626;MM110626;CC1=CC(F)C(C)=C1;VBUCEJMYEYAFQI-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110627;MM110627;CC1=CC(F)=CC1F;MROCSITZCYBSEC-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110628;MM110628;CC1=CC(F)C(F)=C1;HNJWZXKVXYDXRS-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110629;MM110629;Cc1cc(C)n(C)c1;JAPNKJDKITTYLO-UHFFFAOYSA-N;109.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110630;MM110630;Cc1cc(N)cn1C;VZIMIYMIKKVWMG-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110631;MM110631;Cc1cc(F)cn1C;UFYKHMJJBRQDBD-UHFFFAOYSA-N;113.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110632;MM110632;Cc1cc(N)n(C)c1;MHAMHIUBRLMDHR-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110633;MM110633;Cn1cc(N)cc1N;JRKPNFDNWZGUFD-UHFFFAOYSA-N;111.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110634;MM110634;Cn1cc(F)cc1N;QYUWBTNEEXQJQT-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110635;MM110635;Cc1cc(O)n(C)c1;VNUXTWOXUYPPKH-UHFFFAOYSA-N;111.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110636;MM110636;Cn1cc(N)cc1O;GQKGIXGJVUVDQR-UHFFFAOYSA-N;112.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110637;MM110637;Cn1cc(O)cc1O;FLUYOGSKIHGBJE-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110638;MM110638;Cn1cc(F)cc1O;BFIOJLVLMMZDDD-UHFFFAOYSA-N;115.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110639;MM110639;Cc1cc(F)n(C)c1;PAKYKNGZFXJOFV-UHFFFAOYSA-N;113.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110640;MM110640;Cn1cc(N)cc1F;YBIOROJVQCACQR-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110641;MM110641;Cn1cc(F)cc1F;LCLHNXUMJIDJKV-UHFFFAOYSA-N;117.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110642;MM110642;Cc1cc(C)n(N)c1;LZNXGQNDOGTWRN-UHFFFAOYSA-N;110.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110643;MM110643;Cc1cc(N)cn1N;VLPWQJNVJKKGTP-UHFFFAOYSA-N;111.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110644;MM110644;Cc1cc(F)cn1N;VRZXHOIYWKXKAH-UHFFFAOYSA-N;114.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110645;MM110645;Cc1cc(N)n(N)c1;OUWLNSSHMBEQNQ-UHFFFAOYSA-N;111.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110646;MM110646;Nc1cc(N)n(N)c1;BJDFTDZSHYKMHI-UHFFFAOYSA-N;112.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110647;MM110647;Nc1cc(O)cn1N;DWZICTKFRBALCY-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110648;MM110648;Nc1cc(F)cn1N;ZMHRHZUHALCGHR-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110649;MM110649;Cc1cc(O)n(N)c1;LNNGRINLXDRRBL-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110650;MM110650;Nc1cc(O)n(N)c1;COYYXEDZGNJAOB-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110651;MM110651;Nn1cc(F)cc1O;NHLLKATUFMAGDW-UHFFFAOYSA-N;116.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110652;MM110652;Cc1cc(F)n(N)c1;IIJKOAALNBDRAL-UHFFFAOYSA-N;114.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110653;MM110653;Nc1cc(F)n(N)c1;KTRVHRICDRPIIH-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110654;MM110654;Nn1cc(F)cc1F;SIJIRRDZSPJGER-UHFFFAOYSA-N;118.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110655;MM110655;Cc1cc(C)n(O)c1;YIDKWXLGUNISRI-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110656;MM110656;CC(=O)NC(=N)NC=O;AHLYPOBXVYFWJV-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110657;MM110657;Cc1cc(F)cn1O;KSMHYZDMOWDIMG-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110658;MM110658;CC(=NO)NC(=N)CF;REDIDFXUGSIGII-UHFFFAOYSA-N;133.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110659;MM110659;COC(=N)N(C)C=NO;HTSHNNWRCDVUEA-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110660;MM110660;Nc1cc(F)cn1O;FYFFLNRRSQJIID-UHFFFAOYSA-N;116.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110661;MM110661;Cc1cc(O)n(O)c1;FJDLDMHPSMBGSW-UHFFFAOYSA-N;113.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110662;MM110662;Nc1cc(O)n(O)c1;NYPSHSYJRMDRAC-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110663;MM110663;Oc1cc(F)cn1O;YGKUYHLVEDAOBV-UHFFFAOYSA-N;117.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110664;MM110664;Cc1cc(F)n(O)c1;FCCFRDIVHNKPFP-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110665;MM110665;Nc1cc(F)n(O)c1;QAMHTZUGIBMDCI-UHFFFAOYSA-N;116.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110666;MM110666;On1cc(F)cc1F;CAYVGULQRZRSDM-UHFFFAOYSA-N;119.07;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110667;MM110667;Cc1nc(O)cn1C;CIVXHTPBRQUAHC-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110668;MM110668;Cc1nc(F)cn1C;JQFUUMDVBFHDLP-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110669;MM110669;Cc1cn(C)c(N)n1;LBNUVHAZHQZPHM-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110670;MM110670;Cn1cc(N)nc1N;YUWWPKCGUGXSGK-UHFFFAOYSA-N;112.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110671;MM110671;N=CN=C(NO)NC=O;LVSGMAILWZLSNS-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110672;MM110672;Cn1cc(F)nc1N;NHOSDCXLFROBQN-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110673;MM110673;NN=C1CC(=NO)NN1;PVUDVTPEEVZBLU-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110674;MM110674;ON=C1C=CC(CF)N1;LGLSREOFOHRQST-UHFFFAOYSA-N;130.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110675;MM110675;Cn1cc(O)nc1O;WCVGQOGBFWDYSI-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110676;MM110676;Cn1cc(F)nc1O;OOANMIRTKZDLQR-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110677;MM110677;Cc1nc(O)cn1N;DDRDYJPCZUMSHH-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110678;MM110678;Cc1nc(F)cn1N;KPTBFOZQWXZBBG-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110679;MM110679;Nc1cn(N)c(N)n1;RGAXENTYJIBIAF-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110680;MM110680;Nc1nc(O)cn1N;UWTSZHGUPUUGNH-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110681;MM110681;Nc1nc(F)cn1N;GLOKNFUYXDDFQF-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110682;MM110682;CONC(=N)ON=CC#N;NRFUHNVLSIBBCE-UHFFFAOYSA-N;142.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110683;MM110683;CN(C=NN)C(=N)C=NO;LDTUIFHABZMJPQ-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110684;MM110684;Nn1cc(O)nc1O;BWPUYBIZGSGOKN-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110685;MM110685;Nn1cc(F)nc1O;CTDWLFVBLOTXOY-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110686;MM110686;CON=C(NC=O)N(C)C;UJCWOIBHLXWNPV-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110687;MM110687;CC1(C(=O)NC=NO)CN1;BNIAKCAOOJFCJV-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110688;MM110688;Cc1nc(O)cn1O;CDHZEUPAZZUJBR-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110689;MM110689;Cc1nc(F)cn1O;BXFGOBJBLFHXSS-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110690;MM110690;Nc1nc(O)cn1O;NTXZOYHWSHTGBF-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110691;MM110691;Nc1nc(F)cn1O;RRYABDWVLUCENA-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110692;MM110692;Cc1cn(O)c(O)n1;NYVFQAOAOAQCPH-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110693;MM110693;Nc1cn(O)c(O)n1;WKPMKLZHVJOAJW-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110694;MM110694;Oc1cn(O)c(O)n1;VFZZMGUFOQQIQO-UHFFFAOYSA-N;116.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110695;MM110695;Oc1nc(F)cn1O;DVFVGKQEAXYTAG-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110696;MM110696;Cc1cc(C)n(C)n1;HNOQAFMOBRWDKQ-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110697;MM110697;Cc1cc(F)nn1C;KGVYQAQCDKBZML-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110698;MM110698;Cc1cc(N)n(C)n1;ZFDGMMZLXSFNFU-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110699;MM110699;Cn1nc(F)cc1N;ZJEKGFQHWAPHKA-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110700;MM110700;Cn1c(=N)oc(=O)n1O;ZPEACHIJMPIQMM-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110701;MM110701;N=c1[nH]cc(N=O)o1;FRKBDQOLOPZNTQ-UHFFFAOYSA-N;113.08;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110702;MM110702;Cc1cc(F)n(C)n1;YBSBUXVXUOXKOR-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110703;MM110703;Cn1nc(F)cc1F;ZTKMWZSHDFGXHB-UHFFFAOYSA-N;118.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110704;MM110704;Cc1cc(C)n(N)n1;KZHPZRFQSCJEHT-UHFFFAOYSA-N;111.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110705;MM110705;Cc1cc(F)nn1N;DWIPVDUKVMYNOI-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110706;MM110706;Cc1cc(N)n(N)n1;QAXQUWLJFZOTAU-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110707;MM110707;Nc1cc(F)nn1N;VCEZPQCQBGCBMU-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110708;MM110708;COc1cc(=O)n(O)n1O;ORUFZKMGTJFJBH-UHFFFAOYSA-N;146.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110709;MM110709;Nc1cc(=O)c(=O)[nH]n1O;GCZLRIXFNZVBRE-UHFFFAOYSA-N;143.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110710;MM110710;Cc1cc(F)n(N)n1;FZFLLMGDRYQHLN-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110711;MM110711;Nn1nc(F)cc1F;BONGFIOQNNSKNS-UHFFFAOYSA-N;119.07;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110712;MM110712;Cc1cc(C)n(O)n1;RSNGJKZZJHQZAP-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110713;MM110713;Cc1cc(F)nn1O;HJPYFELVCHIPKH-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110714;MM110714;Cc1cc(N)n(O)n1;OFUXGVLEUFAPCO-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110715;MM110715;N#Cc1cc(O)co1;TUVXSVFGIHHEQR-UHFFFAOYSA-N;109.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110716;MM110716;CCCc1nc(O)no1;HUHSOIWWMWGIFI-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110717;MM110717;CCc1nc(O)no1;KRQJYLNRYUQSEJ-UHFFFAOYSA-N;114.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110718;MM110718;Cc1nc(C)n(C)n1;KMCTYPZAZQQIFP-UHFFFAOYSA-N;111.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110719;MM110719;CCOC(=NO)N(C)C=N;WBCMKAHJNFLXKI-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110720;MM110720;Cc1nc(N)n(C)n1;LSSJKEGYOGBWTN-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110721;MM110721;CN=CN=C(NO)NC=O;MGEXEJYFWKTFHX-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110722;MM110722;Cc1nc(C)n(N)n1;YZVKTUICXPMMGA-UHFFFAOYSA-N;112.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110723;MM110723;CCC(C=CC=NN)=NO;NVJGRXBJODQMHZ-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110724;MM110724;C#CC(=CC)N(N)C=NO;GIRRYDSVYUHHBP-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110725;MM110725;CC#CC1=CC(=NO)CN1;BBUAKJZNAXIFMD-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110726;MM110726;Cc1oc(O)c(F)c1O;ISTGJZKTICSITO-UHFFFAOYSA-N;132.09;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110727;MM110727;Cc1nc(N)nn1O;DAUOEHKHCRQOPI-UHFFFAOYSA-N;114.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110728;MM110728;CNc1nn(N)c(=O)n1O;LHARCNGWXSFIMS-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110729;MM110729;CCn1c(O)cncc1=O;OAHAUODRUSKKPU-UHFFFAOYSA-N;140.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110730;MM110730;C=COc1nc(C#N)n[nH]1;YRDXZUZFIGTTPZ-UHFFFAOYSA-N;136.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110731;MM110731;C=C1C=C(C)C=C1C;XEZGIKWLPBXWFM-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110732;MM110732;C=C1C=C(F)C=C1C;VFQGTDREUQCSFO-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110733;MM110733;C=C1C=C(C)C=C1F;WXPAMSIBYXIJKX-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110734;MM110734;C=C1C=C(F)C=C1F;PSSVKQLWNRAXRT-UHFFFAOYSA-N;114.09;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110735;MM110735;CC1=CC(=O)C(C)=C1;CGTFTNGKUCNYPK-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110736;MM110736;CC1=CC(N)=CC1=O;HXHXCSORLOPPEZ-UHFFFAOYSA-N;109.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110737;MM110737;CC1=CC(F)=CC1=O;GLDAGXCTCHTHPX-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110738;MM110738;CC1=CC(=O)C(F)=C1;ZNRZNHWEZHOVFF-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110739;MM110739;NC1=CC(=O)C(F)=C1;KIDSMDTWRQLDKQ-UHFFFAOYSA-N;113.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110740;MM110740;O=C1C=C(F)C=C1F;VLEQFNHSFZRZGU-UHFFFAOYSA-N;116.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110741;MM110741;CC1=CC(=O)C(C)=N1;GKXMEGPQSBQUBT-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110742;MM110742;CC1=CC(=N)C(=O)N1;UKDMYLQDAYVLFY-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110743;MM110743;CC1=CC(C)=NC1=N;YRIATKLRIQLXCK-UHFFFAOYSA-N;108.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110744;MM110744;CC1=NC(=N)C(F)=C1;UESRZZHZTPGATE-UHFFFAOYSA-N;112.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110745;MM110745;CC1=CC(C)=NC1=O;QGIABYOSLQRWSJ-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110746;MM110746;CNNC(=O)CC(F)F;QIBQNMUHCUNAST-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110747;MM110747;CC1=NC(=O)C(F)=C1;WDEQCHAVIALIRM-UHFFFAOYSA-N;113.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110748;MM110748;CC1=NC(=N)C(C)=N1;DTTYIADYNPCNTJ-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110749;MM110749;CC1=NC(=O)C(C)=N1;FETPOWDFUCHVHY-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110750;MM110750;CC1=CC(C)C=C1C;PYVIFKRYUHVUCF-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110751;MM110751;CC1=CC(N)C=C1C;AYXXDBFFNHBHJO-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110752;MM110752;CC1=CC(O)C=C1C;QNFHCMIRKBQDMN-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110753;MM110753;CC1=CC(F)C=C1C;YQKFGQSRRIHERC-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110754;MM110754;CC1=CC(C)C=C1F;ONDPFPWFZSFXAX-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110755;MM110755;CC1=CC(N)C=C1F;REGQVNFOJPNLFM-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110756;MM110756;CC1=CC(O)C=C1F;OATOGODPKOFNCG-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110757;MM110757;CC1=CC(F)C=C1F;UOASOHVHFXGPGN-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110758;MM110758;CC1C=C(F)C(F)=C1;QSSCTZOWXDZOBN-UHFFFAOYSA-N;116.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110759;MM110759;NC1C=C(F)C(F)=C1;BYWPQDOKUPCWRO-UHFFFAOYSA-N;117.1;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110760;MM110760;OC1C=C(F)C(F)=C1;LHNGGWDYDRRXAH-UHFFFAOYSA-N;118.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110761;MM110761;FC1=CC(F)C=C1F;CCQPPQPKBHBSPU-UHFFFAOYSA-N;120.07;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110762;MM110762;Cc1cn(C)cc1C;UQJPYEMQAMHPFF-UHFFFAOYSA-N;109.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110763;MM110763;Cc1cn(N)cc1C;RFRPSSQLONQHLY-UHFFFAOYSA-N;110.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110764;MM110764;Cc1cn(O)cc1C;YXYHTSQNMBQRHG-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110765;MM110765;Cc1cn(C)cc1N;LLANFIYDDVHWRH-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110766;MM110766;Cc1cn(N)cc1N;PCDHXHATFLFPSE-UHFFFAOYSA-N;111.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110767;MM110767;Cc1cn(O)cc1N;PCWJNFGBFNYBPY-UHFFFAOYSA-N;112.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110768;MM110768;Cc1cn(C)cc1F;HTVLJHNPCRWQGO-UHFFFAOYSA-N;113.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110769;MM110769;Cc1cn(N)cc1F;JNMSUVUQDBXVGA-UHFFFAOYSA-N;114.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110770;MM110770;Cc1cn(O)cc1F;JWCNZLDXPBJAEU-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110771;MM110771;Cn1cc(N)c(N)c1;LLFJSTDXYICSSD-UHFFFAOYSA-N;111.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110772;MM110772;Nc1cn(N)cc1N;VBZUHNPBJGGVSS-UHFFFAOYSA-N;112.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110773;MM110773;Nc1cn(O)cc1N;ZVKAGHRAMAIZSB-UHFFFAOYSA-N;113.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110774;MM110774;Cn1cc(N)c(O)c1;SLXCYHGKLGHKDE-UHFFFAOYSA-N;112.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110775;MM110775;Cn1cc(N)c(F)c1;MQAUVOLPWPLSTB-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110776;MM110776;Nc1cn(N)cc1F;YUNNRIRASGYFIU-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110777;MM110777;Nc1cn(O)cc1F;IHLLSOJMRHUEGN-UHFFFAOYSA-N;116.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110778;MM110778;Nc1c(C=O)[nH]oc1=NO;MMCHGJVBVUYSOP-UHFFFAOYSA-N;143.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110779;MM110779;Cn1cc(F)c(F)c1;KNCLHMPWBUDRMC-UHFFFAOYSA-N;117.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110780;MM110780;Nn1cc(F)c(F)c1;MTFYMFDBBAEINW-UHFFFAOYSA-N;118.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110781;MM110781;On1cc(F)c(F)c1;ARYKFKGXOLXBJK-UHFFFAOYSA-N;119.07;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110782;MM110782;Cc1cn(C)nc1C;GHGZGDGWFWIAQM-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110783;MM110783;Cc1cn(N)nc1C;WIRDLZXYKJWULS-UHFFFAOYSA-N;111.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110784;MM110784;Cc1cn(O)nc1C;KQCLWIDZFNPTLQ-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110785;MM110785;Cc1cn(C)nc1F;NYFCQYMJJCADBN-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110786;MM110786;Cc1cn(N)nc1F;YJWQNGVUEGSGPV-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110787;MM110787;Cc1cn(O)nc1F;SQRNTDBGTGEQMM-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110788;MM110788;Cc1nn(C)cc1N;AXLKRXWNAFFPDB-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110789;MM110789;Cc1nn(N)cc1N;LKLUGRJPEIZZTG-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110790;MM110790;Cc1nn(O)cc1N;VIVIZRDOXCFDJD-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110791;MM110791;Nc1nc(CO)cn1O;CJGZYWKFQVSTAZ-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110792;MM110792;ON=C1CC(CF)CN1;OHNHJRJFPWKIMV-UHFFFAOYSA-N;132.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110793;MM110793;Nc1cn(O)nc1F;RHNBHOUDSBMLGV-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110794;MM110794;CC(O)COC(CF)=NO;PVTJCMMUWOLCBG-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110795;MM110795;O=c1[nH]c(=NO)n(O)o1;QXPLNRMQNITUSB-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110796;MM110796;O=CON=CC(CO)=NO;VGQGTDUSHUDWOM-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110797;MM110797;CC(=O)OCC(F)C=NO;JVOVXABGKSXRKN-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110798;MM110798;COc1cc(O)n[nH]1;QNFCLYVZZZVIHZ-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110799;MM110799;Cc1nn(C)cc1F;YEBXZJWTZQSWDS-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110800;MM110800;Cc1nn(N)cc1F;GEHPVXDKMWXXOA-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110801;MM110801;Cc1nn(O)cc1F;MJJGYGLUBLFSTI-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110802;MM110802;Cn1cc(F)c(F)n1;ABSABYKZMZKXLL-UHFFFAOYSA-N;118.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110803;MM110803;Nn1cc(F)c(F)n1;STURNMYWCZWMDQ-UHFFFAOYSA-N;119.07;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110804;MM110804;Cc1nn(C)nc1C;SSGFWCUUHCCWEA-UHFFFAOYSA-N;111.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110805;MM110805;Cc1nn(C)nc1F;MAPPVPPEGHIASM-UHFFFAOYSA-N;115.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110806;MM110806;Cn1nc(F)c(F)n1;QJROWEIZMUOFCK-UHFFFAOYSA-N;119.07;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110807;MM110807;C=C1C=C(C)C(C)=C1;IHTWCYWTBONHAN-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110808;MM110808;CC1=CC(=O)C=C1C;JHDWJSDRGUVZAQ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110809;MM110809;CC1=CC(=O)C=C1N;GCJFBFVKCVOALB-UHFFFAOYSA-N;109.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110810;MM110810;C=C1C=C(C)C(F)=C1;QOXLXTZMJWSORR-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110811;MM110811;CC1=CC(=O)C=C1F;MFXWFDDSXKQOKP-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110812;MM110812;NC1=CC(=O)C=C1N;HJQPMPHYSGWZKZ-UHFFFAOYSA-N;110.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110813;MM110813;NC1=CC(=O)C=C1F;DWAMPFBFBSPCFR-UHFFFAOYSA-N;113.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110814;MM110814;C=C1C=C(F)C(F)=C1;OWEOPAJYJKYLEU-UHFFFAOYSA-N;114.09;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110815;MM110815;O=C1C=C(F)C(F)=C1;SEFKCEVGOIBQRM-UHFFFAOYSA-N;116.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110816;MM110816;CC1=CC(=O)N=C1C;VJTHRAKXJRRHNX-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110817;MM110817;CC1=NC(=N)C=C1N;ACWCPYGNTRHXIF-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110818;MM110818;O=CC1CCC(=NO)N1;DCTVBTHEHMNSHO-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110819;MM110819;CC1=NC(=N)C=C1F;DHJQAIXCDJTHRO-UHFFFAOYSA-N;112.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110820;MM110820;CC1=NC(=O)C=C1F;JDWRUECLIXCYNR-UHFFFAOYSA-N;113.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110821;MM110821;CC1=NC(=N)N=C1C;DFOGVWDZKHUSQI-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110822;MM110822;CC1=NC(=O)N=C1C;PQOBAICDGYSPLH-UHFFFAOYSA-N;110.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110823;MM110823;CC1=C(C)CC(C)C1;MSNOKIKTRNYOPS-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110824;MM110824;CC1=C(C)CC(N)C1;QCTTUEWPZXTFQC-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110825;MM110825;CNNC(=O)NC(=N)CO;NFCCODMXPPLQHV-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110826;MM110826;CC1=C(C)CC(F)C1;WCLWVJJOVVQKQN-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110827;MM110827;CC1=C(F)CC(C)C1;UZPHXOKZYCZYRE-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110828;MM110828;CC1=C(F)CC(N)C1;DKIBSAYLGLOELD-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110829;MM110829;CC1=C(F)CC(O)C1;KENGQQKVZGXINR-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110830;MM110830;CC1=C(F)CC(F)C1;VBIXHRBXICHAEJ-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110831;MM110831;CC1CC(F)=C(F)C1;FDASVOYUXIAPGZ-UHFFFAOYSA-N;118.13;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110832;MM110832;NC1CC(F)=C(F)C1;PRPRSLDDTYOXCM-UHFFFAOYSA-N;119.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110833;MM110833;OC1CC(F)=C(F)C1;KXVUTDBGUYMEGU-UHFFFAOYSA-N;120.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110834;MM110834;FC1=C(F)CC(F)C1;IVWIGZWODDVSLP-UHFFFAOYSA-N;122.09;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110835;MM110835;CC1=C(C)OC(C)C1;QFJTVZKOPUQTPJ-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110836;MM110836;CC1=C(F)CC(C)O1;HROSPBQXJUSRFN-UHFFFAOYSA-N;116.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110837;MM110837;CC1=C(C)OC(C)O1;DUKLLGPRSJZVEE-UHFFFAOYSA-N;114.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110838;MM110838;CC1=C(C)CN(C)C1;AWSPJNLXIZEPFN-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110839;MM110839;CN1CC(F)=C(F)C1;WEFIQOMQFRCMOM-UHFFFAOYSA-N;119.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110840;MM110840;C=C1CC(C)=C(C)C1;ACSRQOHGQNVCCP-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110841;MM110841;CC1=C(C)CC(=O)C1;UFDRVSZUCLSOLH-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110842;MM110842;C=C1CC(C)=C(F)C1;BLBALZXERCHCRJ-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110843;MM110843;CC1=C(F)CC(=O)C1;PQWJSKSQEFITAD-UHFFFAOYSA-N;114.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110844;MM110844;C=C1CC(F)=C(F)C1;KYKQWCVWMHVRFS-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110845;MM110845;O=C1CC(F)=C(F)C1;NTCFJSXVWPROHA-UHFFFAOYSA-N;118.08;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110846;MM110846;CC1=C(C)NC(=N)C1;IRIUDYKEKUGQED-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110847;MM110847;CC1=C(C)NC(=O)C1;QAVODDLLBLKACG-UHFFFAOYSA-N;111.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110848;MM110848;CC1=C(F)CC(=N)N1;OKXULKTVXSYEAT-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110849;MM110849;CC1=C(F)CC(=O)N1;KWCRAIUEZWWFJJ-UHFFFAOYSA-N;115.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110850;MM110850;C=C1CC(C)=C(C)O1;ZBWDKSMTOYKZDQ-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110851;MM110851;CC1=C(C)OC(=O)C1;PLHZTNDBWVZJSE-UHFFFAOYSA-N;112.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110852;MM110852;C=C1CC(F)=C(C)O1;OZIMYMCUSHUJOE-UHFFFAOYSA-N;114.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110853;MM110853;CC1=C(F)CC(=O)O1;IPOPMNGFCJMYBL-UHFFFAOYSA-N;116.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110854;MM110854;Cc1[nH]c(=N)[nH]c1C;JUWWVCSNLLWQBL-UHFFFAOYSA-N;111.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110855;MM110855;Cc1[nH]c(=O)[nH]c1C;JRKFAGHOOSDGOQ-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110856;MM110856;Cc1[nH]c(=N)[nH]c1N;RAILXWOBMGLOMI-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110857;MM110857;Cc1[nH]c(=O)[nH]c1N;SNSOBNUNVOMCPB-UHFFFAOYSA-N;113.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110858;MM110858;Cc1[nH]c(=N)[nH]c1O;ZIUBMUOOBBMZHJ-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110859;MM110859;Cc1[nH]c(=N)[nH]c1F;UNZPRKHDDJXYBY-UHFFFAOYSA-N;115.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110860;MM110860;N=c1[nH]c(N)c(N)[nH]1;YHAKLQVYYDRYNU-UHFFFAOYSA-N;113.12;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110861;MM110861;Nc1[nH]c(=O)[nH]c1N;XCYYKEHNSWIWPE-UHFFFAOYSA-N;114.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110862;MM110862;N=c1[nH]c(N)c(O)[nH]1;XTLWEZUKBZXDIQ-UHFFFAOYSA-N;114.11;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110863;MM110863;Nc1[nH]c(=O)[nH]c1O;HSHILNCSQSKQNH-UHFFFAOYSA-N;115.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110864;MM110864;N=c1[nH]c(N)c(F)[nH]1;SZBIFAOSUUTLOX-UHFFFAOYSA-N;116.1;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110865;MM110865;Nc1n[nH]c(N)c1O;NPIUGJLWSXJIJW-UHFFFAOYSA-N;114.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110866;MM110866;Nn1c(O)nccc1=NO;ONBHPZIYZMDRFX-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110867;MM110867;O=c1[nH]c(F)c(F)[nH]1;JLYLZNGWIPHRFO-UHFFFAOYSA-N;120.06;-0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110868;MM110868;Cc1[nH]c(=N)oc1C;VHZVSAXCIKCRAK-UHFFFAOYSA-N;112.13;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110869;MM110869;Cc1[nH]c(=O)oc1C;XFHVEEHRWSWVGA-UHFFFAOYSA-N;113.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110870;MM110870;Cc1[nH]c(=N)oc1N;DVKAWWKYBHVNHP-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110871;MM110871;Cc1[nH]c(=O)oc1N;HDDVGKFKPDPBBJ-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110872;MM110872;C=Nn1ncc(O)c1N;SZVPBJPTGBDJRH-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110873;MM110873;N#Cc1noc(=O)[nH]1;ZTFSXBYVHXLHNV-UHFFFAOYSA-N;111.06;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110874;MM110874;Cc1oc(=N)[nH]c1N;ADRYDMUVCJEBSM-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110875;MM110875;Cc1oc(=O)[nH]c1N;GYGXPSHPYGASRI-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110876;MM110876;N=c1[nH]c(N)c(N)o1;JGBDUYZZWFNSOY-UHFFFAOYSA-N;114.11;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110877;MM110877;Nc1[nH]c(=O)oc1N;UMVJFGLRUQPUHZ-UHFFFAOYSA-N;115.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110878;MM110878;N=c1[nH]c(N)c(O)o1;VOOAVWYMDVOVRQ-UHFFFAOYSA-N;115.09;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110879;MM110879;Nc1[nH]c(=O)oc(=O)c1F;YOSZFHNIOIZIPD-UHFFFAOYSA-N;146.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110880;MM110880;Cc1oc(=O)n(O)c1N;JPOCXXXJMXTIEM-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110881;MM110881;CC1=NC(=O)NC1=O;RBOLXMYMPGYNSZ-UHFFFAOYSA-N;112.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110882;MM110882;O=c1cc(O)n(O)n1O;PWQDXSXXMGJKOQ-UHFFFAOYSA-N;132.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110883;MM110883;Cc1c(F)oc(O)c1O;RJORGOQFFIEXAY-UHFFFAOYSA-N;132.09;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110884;MM110884;Nc1cc(O)oc1F;HXAMVRYMLLCMTR-UHFFFAOYSA-N;117.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110885;MM110885;OCc1occ(F)c1O;SCJMGVPAILFGPE-UHFFFAOYSA-N;132.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110886;MM110886;C#Cc1occ(O)c1O;ZUZFUJIRQVSBKD-UHFFFAOYSA-N;124.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110887;MM110887;O=c1[nH]c(F)c(F)o1;DKFNSILDELJZLZ-UHFFFAOYSA-N;121.04;0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110888;MM110888;CC1=CC(C)=C(C)C1;VUUBHKAISCUGQO-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110889;MM110889;CC1=C(C)CC(F)=C1;IOKHHYQDJRKBCM-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110890;MM110890;CC1=CC(F)=C(C)C1;QJPFHCRACWJSNF-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110891;MM110891;CC1=C(F)C=C(F)C1;GGOWZJDIPVHFJS-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110892;MM110892;CC1=CC(C)=C(F)C1;NCQLKDPOQQPYHV-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110893;MM110893;CC1=C(F)CC(F)=C1;LDRZTSSJEYQXEB-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110894;MM110894;CC1=CC(F)=C(F)C1;ABZPTQLYBVKOGO-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110895;MM110895;FC1=CC(F)=C(F)C1;SJXNKBRAGRCQIP-UHFFFAOYSA-N;120.07;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110896;MM110896;Cc1cc(C)c(C)[nH]1;VIDOWPWTFHJVID-UHFFFAOYSA-N;109.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110897;MM110897;C#CC(=O)NC(=N)C=CN;TYWQJHJDWVXGLV-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110898;MM110898;Cc1cc(O)[nH]c1C;UMULOBAMZMJEDN-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110899;MM110899;Cc1cc(F)[nH]c1C;MIRDACDAYSCWCA-UHFFFAOYSA-N;113.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110900;MM110900;C=C(OC)C(=N)NC(N)=O;RWEFVMIIWVYFCS-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110901;MM110901;CN(C)N=CC=CC=NO;WIQPMJWAHNWIQQ-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110902;MM110902;Cc1[nH]c(O)cc1N;KFOFEPODGIROSV-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110903;MM110903;CNNC(=N)ON=CC#N;XDUDYTOOYBZEEU-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110904;MM110904;Cc1[nH]c(O)cc1O;CJWQWVGPLFJAGQ-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110905;MM110905;Cc1[nH]c(F)cc1O;SMWUXFUNBBRVKE-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110906;MM110906;Cc1cc(F)c(C)[nH]1;LSXODSNHKBJBAK-UHFFFAOYSA-N;113.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110907;MM110907;ON=CNCC(O)C(F)F;BIOMSDQDGYJRJO-UHFFFAOYSA-N;154.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110908;MM110908;Cc1[nH]c(F)cc1F;MRLJVCAZFIAHGL-UHFFFAOYSA-N;117.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110909;MM110909;CNNC(=O)C(F)C(C)C;XKLDBERNQISQOC-UHFFFAOYSA-N;148.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110910;MM110910;NN=CCC(N)=CC=NO;WSZCMDNYLVKNCN-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110911;MM110911;CNN(C)C(=O)NC=NO;UVCQSBIRCRFICC-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110912;MM110912;Cc1cc(N)c(N)[nH]1;KGPXIJYWEXCUHO-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110913;MM110913;Nc1cc(N)c(N)[nH]1;BRVBVQZEVNJLFQ-UHFFFAOYSA-N;112.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110914;MM110914;Nc1cc(O)[nH]c1N;RDBNUXWYICYBLY-UHFFFAOYSA-N;113.12;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110915;MM110915;CN=C(C=NO)NCC#N;VFMIPIIMGHZUTB-UHFFFAOYSA-N;140.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110916;MM110916;Nc1[nH]c(O)cc1O;ZEUJRCPGFUMIOI-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110917;MM110917;Nc1[nH]c(F)cc1O;IHXDGUGTKRFVPD-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110918;MM110918;CC(CC1C(C)N1C)=NO;XTVDBGRQHSHLBT-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110919;MM110919;CC1(O)C2CC(=NO)NC21;CDVHBVDCHRIYAD-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110920;MM110920;Nc1[nH]c(O)cc1F;GEFLVLAAVKJHLC-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110921;MM110921;Nc1[nH]c(F)cc1F;WISMFSGJDDSJMB-UHFFFAOYSA-N;118.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110922;MM110922;Cc1cc(C)c(O)[nH]1;PSOXKKWJPOGSLF-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110923;MM110923;Cc1cc(O)[nH]c1O;BKTJWOLSAAPMFV-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110924;MM110924;Cc1cc(F)[nH]c1O;ORWMXHCCOKADJJ-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110925;MM110925;Cc1cc(N)c(O)[nH]1;RMCVLRWUFCRLER-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110926;MM110926;C=COCOC(=NO)NN;QEFLDPATQLNBFR-UHFFFAOYSA-N;147.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110927;MM110927;Nc1cc(O)[nH]c1O;YJNJBERLKSMQMR-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110928;MM110928;Nc1cc(F)[nH]c1O;JMRPUIDAZJIRRW-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110929;MM110929;Cc1cc(O)c(O)[nH]1;MFPMZFBBZUHWES-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110930;MM110930;Nc1cc(O)c(O)[nH]1;XSLUNIANDNDKSQ-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110931;MM110931;Oc1cc(O)c(O)[nH]1;AABUMLBBOGWWER-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110932;MM110932;Oc1cc(F)[nH]c1O;AIBAASHLTNVFCY-UHFFFAOYSA-N;117.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110933;MM110933;Cc1cc(F)c(O)[nH]1;NTNXWWMAFJKLRR-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110934;MM110934;Nc1cc(F)c(O)[nH]1;WSOCZNYWZCYLKW-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110935;MM110935;Oc1cc(F)c(O)[nH]1;BAHLNROBMUTFBH-UHFFFAOYSA-N;117.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110936;MM110936;Cc1cc(C)c(F)[nH]1;PPKSSSHVCYHNED-UHFFFAOYSA-N;113.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110937;MM110937;CC#CC1CC(=NO)NN1;VSQVALIWWOQKLN-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110938;MM110938;Cc1cc(F)[nH]c1F;DQZQPYAJJLCSKY-UHFFFAOYSA-N;117.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110939;MM110939;Cc1cc(N)c(F)[nH]1;FNFLWDBBGFFPGG-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110940;MM110940;NC=CC1=NC(=NO)CN1;MJIDZXOZIPZTKZ-UHFFFAOYSA-N;140.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110941;MM110941;Nc1cc(F)[nH]c1F;GNOQCYFGOZXYFD-UHFFFAOYSA-N;118.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110942;MM110942;Cc1cc(O)c(F)[nH]1;MPVLLJRRIVZTCB-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110943;MM110943;Nc1cc(O)c(F)[nH]1;WZRYIZPEYCDZDY-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110944;MM110944;Cc1cc(F)c(F)[nH]1;VQDIBMDKERGOSV-UHFFFAOYSA-N;117.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110945;MM110945;Nc1cc(F)c(F)[nH]1;YLLXIBFORQNJCZ-UHFFFAOYSA-N;118.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110946;MM110946;Cc1nc(N)[nH]c1C;JUWWVCSNLLWQBL-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110947;MM110947;N#CC=NOC(=N)N1CC1;UECPOFLRMLXZKA-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110948;MM110948;Cc1nc(C)c(N)[nH]1;KVEUKGZQWCQZTD-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110949;MM110949;Cc1[nH]c(N)nc1N;RAILXWOBMGLOMI-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110950;MM110950;Cc1[nH]c(O)nc1N;SNSOBNUNVOMCPB-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110951;MM110951;C=Cn1cnc(O)c1N;GOOSSYVIWIWLHK-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110952;MM110952;CN1CC1CCC=NO;FWLGAASQDBUTGE-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110953;MM110953;Cc1[nH]c(O)nc1O;VBPFHJBRXZWCDM-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110954;MM110954;ON=C1CCC(CF)N1;XIZINSITLVVSMK-UHFFFAOYSA-N;132.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110955;MM110955;NN1C=NC(=NO)CC1;JSUFXAYRVOKRBJ-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110956;MM110956;Cc1[nH]c(O)nc1F;MLHWAWQXJAJWMB-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110957;MM110957;Cc1nc(N)[nH]c1N;RAILXWOBMGLOMI-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110958;MM110958;CN(O)C(=N)C(C)(O)C#N;NVYXTHISWCMVJU-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110959;MM110959;Cc1nc(N)c(N)[nH]1;PWJWHDYGZUUHEF-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110960;MM110960;Nc1nc(N)c(N)[nH]1;YHAKLQVYYDRYNU-UHFFFAOYSA-N;113.12;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110961;MM110961;Nc1[nH]c(O)nc1O;HSHILNCSQSKQNH-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110962;MM110962;CN(C=CC=NO)CC=O;ANDVYEIDVBWTNP-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110963;MM110963;CCCC(F)C(=O)NNC;HKJXVXIQEAULCO-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110964;MM110964;Nc1[nH]c(O)nc1F;LNZKJHGXCPUOIU-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110965;MM110965;Cc1nc(O)[nH]c1O;VBPFHJBRXZWCDM-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110966;MM110966;Nc1nc(O)[nH]c1O;HSHILNCSQSKQNH-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110967;MM110967;Cc1nc(O)c(O)[nH]1;AQNOBGXONXRILU-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110968;MM110968;Nc1nc(O)c(O)[nH]1;VKKMLBFSYCCYLP-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110969;MM110969;Oc1nc(O)c(O)[nH]1;UEICEPIJXFTXIC-UHFFFAOYSA-N;116.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110970;MM110970;Cc1nc(O)[nH]c1F;MLHWAWQXJAJWMB-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110971;MM110971;Nc1nc(O)[nH]c1F;LNZKJHGXCPUOIU-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110972;MM110972;Nc1nc(O)c(F)[nH]1;VSTXNHWTXGXVEV-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110973;MM110973;Cc1cc(C)c(C)o1;NJXZFRUNHWKHEC-UHFFFAOYSA-N;110.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110974;MM110974;Cc1cc(N)oc1C;FFRIVDRUVVWFDH-UHFFFAOYSA-N;111.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110975;MM110975;Cc1cc(F)oc1C;XBYRIJJVUIEQDI-UHFFFAOYSA-N;114.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110976;MM110976;Cc1cc(N)c(C)o1;IHBMSDGRGSYVFX-UHFFFAOYSA-N;111.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110977;MM110977;Cc1oc(N)cc1N;HMHACYMKBGTDPM-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110978;MM110978;Cc1oc(F)cc1N;DEORUHJTRROJJX-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110979;MM110979;Cc1cc(F)c(C)o1;UUPQYFWUPBZKQK-UHFFFAOYSA-N;114.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110980;MM110980;Cc1oc(N)cc1F;XZDDCZRKJRIUDH-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110981;MM110981;CNc1occ(O)c1F;HBZQVRHUOUOXRE-UHFFFAOYSA-N;131.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110982;MM110982;Cc1oc(F)cc1F;DIEPXBZBISOLBB-UHFFFAOYSA-N;118.08;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110983;MM110983;Cc1cc(C)c(N)o1;DVWGPWCQQKUAQH-UHFFFAOYSA-N;111.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110984;MM110984;Cc1cc(N)oc1N;LZILRWGTHSIYEV-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110985;MM110985;Cc1cc(O)oc1N;ZVPXRZAQIIRKRK-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110986;MM110986;Cc1cc(F)oc1N;GMXLMMFRKZWTOI-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110987;MM110987;Cc1cc(N)c(N)o1;CYVJDCPDFQGTQZ-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110988;MM110988;Nc1cc(N)c(N)o1;SOANLKJMTAIFGX-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110989;MM110989;Nc1cc(F)oc1N;QJEYVVYRXVAPLD-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110990;MM110990;Cc1cc(F)c(N)o1;HTMFJAOXQQRSDH-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110991;MM110991;Nc1cc(F)c(N)o1;HOJXSMJCGAGCMW-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110992;MM110992;Nc1oc(F)cc1F;DQKQXWQNUABEIS-UHFFFAOYSA-N;119.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110993;MM110993;Cc1cc(N)oc1O;NVVPOXONYDBESA-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110994;MM110994;Cc1cc(N)c(O)o1;HUXZQUCRFKWGDL-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110995;MM110995;Nc1cc(N)c(O)o1;QEWPYRRQXZXRPP-UHFFFAOYSA-N;114.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110996;MM110996;C=C1C(C#N)=NOC1C#N;XIJSBURNWDVDPZ-UHFFFAOYSA-N;133.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110997;MM110997;C#Cc1ncnn1O;GQWMAZDRBXSPAI-UHFFFAOYSA-N;109.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110998;MM110998;NC(=O)C#CC(CO)=NO;OOEWBYSYNZDBOI-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM110999;MM110999;Cc1cc(C)c(F)o1;GYWCSAFWIQNFSU-UHFFFAOYSA-N;114.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111000;MM111000;Cc1cc(N)oc1F;HIXYJPOBRTUTQX-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111001;MM111001;N#Cc1cnn[nH]1;UVQSQWZYJWNHSU-UHFFFAOYSA-N;94.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111002;MM111002;Cc1cc(F)oc1F;WNBABRJSTLRNPS-UHFFFAOYSA-N;118.08;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111003;MM111003;Cc1cc(N)c(F)o1;CJZDOYRBWVWEJI-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111004;MM111004;Nc1cc(N)c(F)o1;LNXOODGMTVBBSH-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111005;MM111005;C#CC(=CF)C(CO)=NO;FUBNLHIVZYMRAE-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111006;MM111006;Nc1cc(F)oc1F;IXMSDCZOIIHUEN-UHFFFAOYSA-N;119.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111007;MM111007;NN=Cn1nc(O)c(=O)o1;QIFVNHCFGOKWBA-UHFFFAOYSA-N;144.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111008;MM111008;CCCc1cc(O)n(C)n1;VYVOKLJNFUIGDD-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111009;MM111009;Cc1cc(F)c(F)o1;SJHMTKCGNQHWHU-UHFFFAOYSA-N;118.08;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111010;MM111010;Nc1cc(F)c(F)o1;DEIDFNBWQGQMJG-UHFFFAOYSA-N;119.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111011;MM111011;CCc1cc(O)n(C)n1;ZOQAXQQCLJZVGF-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111012;MM111012;Fc1cc(F)c(F)o1;ZFEWNCCOCMMNGP-UHFFFAOYSA-N;122.05;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111013;MM111013;Cc1nc(C)c(C)o1;ZRLDBDZSLLGDOX-UHFFFAOYSA-N;111.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111014;MM111014;C=C(C)C(N)=C(C)C=NO;KUSCCJOCJDECLM-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111015;MM111015;Cc1nc(F)oc1C;TYUYBSJMTDLQAA-UHFFFAOYSA-N;115.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111016;MM111016;CC(=O)n1oc(=N)[nH]c1=N;LSNWWXNLOQGYLW-UHFFFAOYSA-N;142.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111017;MM111017;CNC(N)=CC(=NO)NO;UMXDARDBFHICCU-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111018;MM111018;Cc1oc(F)nc1N;SWPDSEKPXFHWLX-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111019;MM111019;Cc1nc(O)c(C)o1;VSKHQMNQEDPQRP-UHFFFAOYSA-N;113.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111020;MM111020;Cc1oc(N)nc1O;HMEKCKPURWVDRC-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111021;MM111021;Cc1nc(F)c(C)o1;CHBPYTPNJWFIPH-UHFFFAOYSA-N;115.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111022;MM111022;Cc1oc(N)nc1F;ZUJHYKFGOXRIRS-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111023;MM111023;Cc1oc(F)nc1F;HTGKGZXFWBILLM-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111024;MM111024;C=CCCNNC(=O)CF;GCMJGQJMDJHPEI-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111025;MM111025;O=CC(F)C=CNC=NO;CKEMOFORODTMLJ-UHFFFAOYSA-N;146.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111026;MM111026;Cc1nc(O)oc1N;HDDVGKFKPDPBBJ-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111027;MM111027;Cc1nc(F)oc1N;LQISROUZCKKQNE-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111028;MM111028;C=CN(C)C(C=NO)=NN;DRNGBSJMZKHRNU-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111029;MM111029;COCOC(=NO)N(C)N;XKDLTSGABFCCSF-UHFFFAOYSA-N;149.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111030;MM111030;Nc1nc(O)oc1N;UMVJFGLRUQPUHZ-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111031;MM111031;Nc1nc(F)oc1N;RASSYSWLHWSOBJ-UHFFFAOYSA-N;117.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111032;MM111032;Cc1nc(O)c(N)o1;SVNBUVGXSCUJPO-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111033;MM111033;Nc1nc(O)c(N)o1;ZPZAHMDLLHDJFG-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111034;MM111034;Nc1oc(O)nc1O;OIOJLCVVEIIHJX-UHFFFAOYSA-N;116.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111035;MM111035;Cc1nc(F)c(N)o1;RHZDQLHGYNIBAC-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111036;MM111036;Nc1nc(F)c(N)o1;PUEKYOSGKXANML-UHFFFAOYSA-N;117.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111037;MM111037;Nc1oc(F)nc1F;OXZPWACWQRODRH-UHFFFAOYSA-N;120.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111038;MM111038;Nn1cc(F)c(=O)n1O;XTPWTIDLBWNISJ-UHFFFAOYSA-N;133.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111039;MM111039;Nn1cnc(=O)[nH]c1=NO;NMRJFDBQGPYPQB-UHFFFAOYSA-N;143.11;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111040;MM111040;Cn1nc(O)[nH]c1=NN;HGXXJXWDERNONF-UHFFFAOYSA-N;129.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111041;MM111041;Nc1nc(N)c(O)o1;VOOAVWYMDVOVRQ-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111042;MM111042;O=CCC(=O)C(F)(F)F;CFLWIVMDYUDICT-UHFFFAOYSA-N;140.06;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111043;MM111043;CCC1C(=O)C(C=O)C1C;NSCQTGFAAUFJLT-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111044;MM111044;C=Cc1oc(=NO)oc1O;LCTPOPKSQHFWLO-UHFFFAOYSA-N;143.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111045;MM111045;Nc1c(O)cnc(=O)n1O;UYXIAKKIZCOLDY-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111046;MM111046;Nc1nnn2c(=O)[nH]oc12;OPHRMJBNIAEATD-UHFFFAOYSA-N;141.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111047;MM111047;CONC(=O)CC(C)(F)F;ZVWFUAIYDGDXQU-UHFFFAOYSA-N;153.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111048;MM111048;N#Cc1cc(C=CO)co1;NIQBHCRJPGXFPT-UHFFFAOYSA-N;135.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111049;MM111049;C#Cc1coc(C#C)c1O;ZLCVTIQZHWIBCS-UHFFFAOYSA-N;132.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111050;MM111050;Cc1nc(C)c(F)o1;OFHQTEZSRIYIDQ-UHFFFAOYSA-N;115.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111051;MM111051;CC#CCOC(=NO)NN;KUOMMHALLSZVSR-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111052;MM111052;Cc1nc(F)oc1F;BBHZGUKLMYKAJT-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111053;MM111053;Cc1nc(N)c(F)o1;CRMFONIMTANJBG-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111054;MM111054;N=C(NC=O)C(=NN)NN;SJRKCVAPLMFHNH-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111055;MM111055;Nc1nc(F)oc1F;XUILFGLZYJJSEF-UHFFFAOYSA-N;120.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111056;MM111056;Cc1ncc(O)n(C)c1=O;YIAVIRCUGWIHML-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111057;MM111057;Cc1nc(F)c(F)o1;KWEPWQSXEBXKBL-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111058;MM111058;Nc1nc(F)c(F)o1;NIUNDXLUYHPPMZ-UHFFFAOYSA-N;120.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111059;MM111059;CCC1CC1C(C#N)=NO;LJKNHCOTUHSFKI-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111060;MM111060;Fc1nc(F)c(F)o1;CAHYMFJZAOARGT-UHFFFAOYSA-N;123.03;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111061;MM111061;N#CCC1CNC(=NO)N1;RTJGKGUUQJFVCA-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111062;MM111062;CC12CC(F)CC1C2;GNSKIBFNOJNARH-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111063;MM111063;CC1CC2CC2(N)C1;MWYULJOAUCJLIH-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111064;MM111064;NC1CC2CC2(N)C1;UPLFPNQPHPUZRG-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111065;MM111065;NC12CC(O)CC1C2;DPXIXIVHVAHZGQ-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111066;MM111066;NC12CC(F)CC1C2;OLIGRXKQAJVJAI-UHFFFAOYSA-N;115.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111067;MM111067;C#CC1NC1C=CC=NO;RCQKPNOAAWLQDL-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111068;MM111068;OC1CC2CC2(O)C1;PBRLKGRSBXMICI-UHFFFAOYSA-N;114.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111069;MM111069;CC1CC2CC2(F)C1;CQUDUNRPIKMXIG-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111070;MM111070;OC1CC2CC2(F)C1;AGSZYUNMLOUPFJ-UHFFFAOYSA-N;116.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111071;MM111071;CC1CC2(C)CC2N1;FHJCZLQAHIVDIG-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111072;MM111072;CC1CC2(N)CC2N1;ZPXNITGRKLHTIC-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111073;MM111073;CC1CC2(O)CC2N1;OEJXALIUMLJJJF-UHFFFAOYSA-N;113.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111074;MM111074;CC1CC2(F)CC2N1;JGHGBWWTWLBBRH-UHFFFAOYSA-N;115.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111075;MM111075;CC1CC2CC2(C)N1;RACWLGYGYBWYJZ-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111076;MM111076;CC1CC2CC2(C)O1;IOJJTILORMJMPX-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111077;MM111077;CC1OC2CC2(C)O1;YBPLNFVJHGZJNR-UHFFFAOYSA-N;114.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111078;MM111078;CN1CC2CC2(C)C1;CAEAVTHQAYVVTE-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111079;MM111079;CN1CC2CC2(N)C1;MNDNHUQXXUMNKO-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111080;MM111080;C=C1CC2CC2(N)C1;RQLZLEWYIXPWDH-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111081;MM111081;O=C1CC2CC2(F)C1;QWDNJKKPYVJNBA-UHFFFAOYSA-N;114.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111082;MM111082;CC12CC(=N)NC1C2;IHMUGWXBJLURDT-UHFFFAOYSA-N;110.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111083;MM111083;CC12CC(=O)NC1C2;BONMTMTYAWXCHY-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111084;MM111084;N=C1CC2(N)CC2N1;YBCYLECRYMOZFK-UHFFFAOYSA-N;111.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111085;MM111085;NC12CC(=O)NC1C2;HUJJFVNQHWAUKU-UHFFFAOYSA-N;112.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111086;MM111086;N=C1CC2(O)CC2N1;YFVXBNOWIWAHGP-UHFFFAOYSA-N;112.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111087;MM111087;O=C1CC2(O)CC2N1;HLXKEGBHWOJRIQ-UHFFFAOYSA-N;113.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111088;MM111088;N=C1CC2(F)CC2N1;GWQHQDCRGJNHIQ-UHFFFAOYSA-N;114.12;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111089;MM111089;O=C1CC2(F)CC2N1;GJWCCKOUKRDWLI-UHFFFAOYSA-N;115.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111090;MM111090;C=C1CC2(C)CC2O1;ZYNFIUUILCQELX-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111091;MM111091;CC12CC(=O)OC1C2;AWXDITKIDJUVQV-UHFFFAOYSA-N;112.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111092;MM111092;C=C1CC2(N)CC2O1;ATXHXGQIWCILNZ-UHFFFAOYSA-N;111.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111093;MM111093;C=C1CC2(O)CC2O1;MVGWKPFFDIIXNG-UHFFFAOYSA-N;112.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111094;MM111094;O=C1CC2(O)CC2O1;HJXCYJDLOIKEMP-UHFFFAOYSA-N;114.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111095;MM111095;C=C1CC2(F)CC2O1;JNNIWQZFBUFHJN-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111096;MM111096;O=C1CC2(F)CC2O1;RRBCLJNWDRLNIF-UHFFFAOYSA-N;116.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111097;MM111097;CC12CC1CC(=N)N2;VBSLRDLNAAHVFS-UHFFFAOYSA-N;110.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111098;MM111098;CC12CC1CC(=O)N2;DMIHJHZOVOEXGF-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111099;MM111099;CC12CC1NC(=N)N2;WPDFJFHHXSKJFJ-UHFFFAOYSA-N;111.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111100;MM111100;CC12CC1NC(=O)N2;VZRRLMNNYLIDMD-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111101;MM111101;CC12CC1OC(=O)N2;XJKZFGATUYEZCH-UHFFFAOYSA-N;113.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111102;MM111102;C=C1CC2CC2(C)O1;WNRMSZNJHRJZPR-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111103;MM111103;CC12CC1CC(=O)O2;ZBICISPCMKHPMO-UHFFFAOYSA-N;112.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111104;MM111104;CC12CC1NC(=O)O2;YXDQIDDMYLIJTF-UHFFFAOYSA-N;113.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111105;MM111105;CC12CC1OC(=O)O2;UPXQQEMBRAGYDB-UHFFFAOYSA-N;114.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111106;MM111106;C=C1CC2OC2(C)C1;SWJNBSHXLYHTBD-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111107;MM111107;CC12CC(=O)CC1O2;OKXXHCXZEYGTBJ-UHFFFAOYSA-N;112.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111108;MM111108;CC12CC(=N)NN1C2;UFTWGCVMQKCAKA-UHFFFAOYSA-N;111.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111109;MM111109;CC12CC(=O)NN1C2;WNKPKZCZPJCHPC-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111110;MM111110;CC1=CC2CC2(C)C1;APNSQYOPXHTMSA-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111111;MM111111;CC12CC(F)=CC1C2;XIXJDQMNAMVKRO-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111112;MM111112;CC1=CC2CC2(N)C1;LRAZZLRVPMURPR-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111113;MM111113;NC12CC(F)=CC1C2;UNTRKWCQSVWPMF-UHFFFAOYSA-N;113.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111114;MM111114;CNC(=NOC)NC=O;LIKQGIIRVPEFNV-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111115;MM111115;OC12CC(F)=CC1C2;CMIBLVKPKPGDPI-UHFFFAOYSA-N;114.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111116;MM111116;CC1=CC2CC2(F)C1;NPDQEQALWWBUPL-UHFFFAOYSA-N;112.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111117;MM111117;FC1=CC2CC2(F)C1;KVNSMXOQLJDHPF-UHFFFAOYSA-N;116.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111118;MM111118;CC1=NC2(C)CC2N1;NOQJKOBUXSBHQS-UHFFFAOYSA-N;110.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111119;MM111119;CC1=CC2CC2(C)O1;MMVYJIYYAOUMFO-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111120;MM111120;CC12CC(F)=CC1N2;ZAXPGDVXMOPIHZ-UHFFFAOYSA-N;113.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111121;MM111121;CC1=CC2OC2(C)C1;HLKVIRCSWRWROH-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111122;MM111122;CC12CC(F)=CC1O2;SVSDIJDROIWDAC-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111123;MM111123;CC1=NN2CC2(C)C1;QNQHOCKGHQGVOM-UHFFFAOYSA-N;110.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111124;MM111124;NC12CC(CC1O)C2;ZUDPMIIDFDXDEW-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111125;MM111125;C=CC1=NC(=NO)CN1;XXYYHJRYLKPEIT-UHFFFAOYSA-N;125.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111126;MM111126;NC1CC2CC1(O)C2;XSSINVYHIRCVCJ-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111127;MM111127;OC1CC2CC1(O)C2;IEQJWLFOMGOFGA-UHFFFAOYSA-N;114.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111128;MM111128;CC1NC2CC1(N)C2;XDRIBZJYEYVJEW-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111129;MM111129;CC1NC2CC1(F)C2;CNUXFQNJXBVKHL-UHFFFAOYSA-N;115.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111130;MM111130;CC12CC(CC1N)N2;HIISDIJPDJMNPR-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111131;MM111131;CC12CC(CC1O)N2;YMMWCVJCVHJTBS-UHFFFAOYSA-N;113.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111132;MM111132;CC12CC(CC1O)O2;WZGPPILABMSHGR-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111133;MM111133;NC1CN2CC1(N)C2;NFLNPBBPMVFANG-UHFFFAOYSA-N;113.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111134;MM111134;NC12CN(CC1O)C2;AWGPRRVHVDIKQS-UHFFFAOYSA-N;114.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111135;MM111135;C=C1CC2CC1(C)C2;DMPCQKPCPVENGM-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111136;MM111136;CC12CC(CC1=O)C2;IWPNTUFGESKFEQ-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111137;MM111137;C=C1CC2CC1(N)C2;QVRXTNYKAGCLKY-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111138;MM111138;C#CC(O)C(=O)NC(C)=N;SBKPEUJVFVPSTR-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111139;MM111139;O=C1CC2CC1(O)C2;ZEBAOPMMRPLXKL-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111140;MM111140;C=C1CC2CC1(F)C2;AVBGXZJJWPDASC-UHFFFAOYSA-N;112.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111141;MM111141;O=C1CC2CC1(F)C2;ZETDWMDVWWQBAF-UHFFFAOYSA-N;114.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111142;MM111142;CC12CC(C1)NC2=N;FLOISGIHHAJMIC-UHFFFAOYSA-N;110.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111143;MM111143;CC12CC(C1)NC2=O;GOBSGZFGJCGGPB-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111144;MM111144;N=C1NC2CC1(N)C2;XZNKUGAWIPGGLZ-UHFFFAOYSA-N;111.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111145;MM111145;NC12CC(C1)NC2=O;AYRDSGVEHIXRRB-UHFFFAOYSA-N;112.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111146;MM111146;N=C1NC2CC1(O)C2;JGLIKWKOPJTCRB-UHFFFAOYSA-N;112.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111147;MM111147;O=C1NC2CC1(O)C2;ZKUQPRCJSRLVKH-UHFFFAOYSA-N;113.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111148;MM111148;O=C1NC2CC1(F)C2;WFBVGOVHTNSWOU-UHFFFAOYSA-N;115.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111149;MM111149;C=C1OC2CC1(C)C2;RIAMEFQEUOANKZ-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111150;MM111150;CC12CC(C1)OC2=O;ZTWOSKXNUYNXBV-UHFFFAOYSA-N;112.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111151;MM111151;C=C1OC2CC1(N)C2;YYEKDSMWJNOWOF-UHFFFAOYSA-N;111.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111152;MM111152;C=C1OC2CC1(O)C2;SBPDCBLSFJYMCH-UHFFFAOYSA-N;112.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111153;MM111153;O=C1OC2CC1(O)C2;ZKSMOSWANHUCAW-UHFFFAOYSA-N;114.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111154;MM111154;C=C1OC2CC1(F)C2;XGXIIQBMYLGDQS-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111155;MM111155;C=C1CC2CC1(C)N2;MKFWGBYBOSVUST-UHFFFAOYSA-N;109.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111156;MM111156;C=C1CC2CC1(C)O2;ZPSCHFXDFQRHDN-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111157;MM111157;CC12CC(CC1=O)O2;CFSCPKJJIYUGPO-UHFFFAOYSA-N;112.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111158;MM111158;C=C1CN2CC1(N)C2;NWCGBRVNRLQAQR-UHFFFAOYSA-N;110.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111159;MM111159;C=C1CN2CC1(F)C2;INMGFFYYMLBOAF-UHFFFAOYSA-N;113.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111160;MM111160;N=CN(C=NO)CC(N)=O;MCHWMIAGKFJFJF-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111161;MM111161;CC1=CC2CC1(C)C2;PSYRXYHUHDGHAI-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111162;MM111162;CC12CC(C=C1F)C2;CZYOGFJDEPSGDR-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111163;MM111163;CC1=CC2CC1(N)C2;TUSJMHTXLYVNKB-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111164;MM111164;NC12CC(C=C1F)C2;JFOGEWRTJKQMSL-UHFFFAOYSA-N;113.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111165;MM111165;CCNC(=NOC)NC=O;IYFYSPRMWSEAHY-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111166;MM111166;OC12CC(C=C1F)C2;OLONGKNJFIKTCH-UHFFFAOYSA-N;114.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111167;MM111167;CC1=CC2CC1(F)C2;ZHUAMTCMCVRUQI-UHFFFAOYSA-N;112.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111168;MM111168;CC1=CC2CC1(C)N2;WBNKTNLMVIEBDL-UHFFFAOYSA-N;109.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111169;MM111169;CC1=CC2CC1(C)O2;NYOLOOANWNBHAY-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111170;MM111170;CC12CC(C=C1F)O2;ZLVLYSFMZITUMS-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111171;MM111171;CC12CCCC1(C)C2;ZBLUGCVTVHUUCH-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111172;MM111172;CC12CCCC1(N)C2;ULDYHEOUMGOJKI-UHFFFAOYSA-N;111.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111173;MM111173;CCC(=NO)NC(=N)OC;RVLQLGJAAPNPLG-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111174;MM111174;NC12CCCC1(N)C2;UHJWEKVYLUBVLR-UHFFFAOYSA-N;112.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111175;MM111175;NC12CCCC1(O)C2;LXMGITUZHBPLQN-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111176;MM111176;CC12CNCC1(C)C2;YFTAPWVRSFLNCD-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111177;MM111177;CC12CNCC1(N)C2;RVGRHQUTYJHXHQ-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111178;MM111178;CC12CNCC1(O)C2;SROAMBFSOKHCSO-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111179;MM111179;NC12CNCC1(N)C2;DYFJXWSJIJNJRJ-UHFFFAOYSA-N;113.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111180;MM111180;CC12COCC1(C)C2;FSDZXAQTJPSULA-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111181;MM111181;CC12COCC1(N)C2;SQTOQAJPJOJSKI-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111182;MM111182;CC12COCC1(O)C2;SHCVRPWIWBZIMD-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111183;MM111183;NC12COCC1(N)C2;ASPLFBHNNZCKLZ-UHFFFAOYSA-N;114.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111184;MM111184;CC12CCNC1(C)C2;GLPDQJKEYARYJW-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111185;MM111185;CC12CC1(N)CCN2;IXHMXCAZRPOJEF-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111186;MM111186;CC12CC1(O)CCN2;MYRYJVCJIVNUIG-UHFFFAOYSA-N;113.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111187;MM111187;CC12CCOC1(C)C2;RGSVRRZYXGDJTL-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111188;MM111188;CC12CC1(N)CCO2;RSOCCHPMFFYCRL-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111189;MM111189;CC12CC1(O)CCO2;RCHPWBXBRRDUTC-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111190;MM111190;CC12CC1(C)OCO2;FATFXYSIKDWHRT-UHFFFAOYSA-N;114.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111191;MM111191;CC12CNCC1(C)N2;APEYWEDIOZANDE-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111192;MM111192;CC12COCC1(C)N2;WSUODMNOAJGRHL-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111193;MM111193;CC12CCCC1(C)O2;UXMPPYGRAFYWRK-UHFFFAOYSA-N;112.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111194;MM111194;CC12CNCC1(C)O2;UBVVBPKZGZYVRD-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111195;MM111195;CC12COCC1(C)O2;BEJPDFYIJPOTML-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111196;MM111196;CCCC1CC(C)C1;HPDBDZZSDLTSQP-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111197;MM111197;CC1CC(CCN)C1;AEVQSWWVDSNVSX-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111198;MM111198;CCN(N)C(C=NO)=NN;ZAKACWSYMXBNFI-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111199;MM111199;CCCC1CC(N)C1;GQPBKJURMQENED-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111200;MM111200;NCCC1CC(N)C1;BMWFSOBPTINHKM-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111201;MM111201;NC1CC(CCO)C1;AKNQWAKUSRLXET-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111202;MM111202;C#CCOC(=NO)NNC;JIDKJLGGNHUHCR-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111203;MM111203;NCCC1CC(O)C1;NEYGRZWFTJROEO-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111204;MM111204;ON=CNNCC#CCF;QUGITNDIPJTNHG-UHFFFAOYSA-N;145.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111205;MM111205;CCCC1CC(F)C1;YLAARDIUMONFLZ-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111206;MM111206;NCCC1CC(F)C1;IKXNFKSMECKOEX-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111207;MM111207;N=CNC(=O)NOC=O;WQMVPVZUVVBTIY-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111208;MM111208;CNCC1CC(C)C1;PGWIFHZUDDOUMS-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111209;MM111209;CNCC1CC(N)C1;DXAIWJBLJKDQKB-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111210;MM111210;CNCC1CC(O)C1;MCZGKHDYQOQIQW-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111211;MM111211;CCNC1CC(C)C1;JITMENGCVOECKC-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111212;MM111212;CCNC1CC(N)C1;QFLQAISUQUHZJX-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111213;MM111213;CCNC1CC(O)C1;JKPSRIVNHPZNDF-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111214;MM111214;CCNC1CC(F)C1;FPZZZHHDMRAQOS-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111215;MM111215;CCOC1CC(C)C1;KZWXPWRPYCOLFW-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111216;MM111216;CCOC1CC(N)C1;JEUJTNFONKUPKD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111217;MM111217;CCOC1CC(F)C1;HBKTVDUBRAJIQX-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111218;MM111218;CCCC1CC(C)N1;WDZLYSUTYSHJQI-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111219;MM111219;CC1CC(CCN)N1;CZXBIWXCOGZTDC-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111220;MM111220;CC1CC(CCO)N1;RIXPXHRBFFPRTO-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111221;MM111221;CNCC1CC(C)N1;UXNJFPQBXMGIJS-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111222;MM111222;CCCC1CC(C)O1;JTCAVNLRRPQGIO-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111223;MM111223;CNCC1CC(C)O1;VKNDJYIDUVXDDT-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111224;MM111224;CCCC1CN(C)C1;VPNJAYRRCNJCFH-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111225;MM111225;CN1CC(CCN)C1;YGSQGWLRGUDBKG-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111226;MM111226;CNCC1CN(C)C1;LPXOXONOLFNMPX-UHFFFAOYSA-N;114.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111227;MM111227;CCNC1CN(C)C1;TYRJTKUUMOUABY-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111228;MM111228;CCCN1CC(C)C1;OWXBHNDFXIISNM-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111229;MM111229;CC1CN(CCN)C1;FFRNDPRPOUPVFJ-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111230;MM111230;CCCN1CC(N)C1;XFAJTOGPBDJOTQ-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111231;MM111231;NCCN1CC(N)C1;JARDHBXPQDUMAL-UHFFFAOYSA-N;115.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111232;MM111232;CCCN1CC(F)C1;CKKMSSQTGRYIKL-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111233;MM111233;NCCN1CC(F)C1;ZVOBAJVTRLDBGM-UHFFFAOYSA-N;118.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111234;MM111234;C=CCC1CC(C)C1;PLQODTZGNQUDHH-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111235;MM111235;CC1CC(CC=O)C1;KRBYLCDKRNZVSS-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111236;MM111236;CC1CC(CC#N)C1;UJBMRUNYBBNFMH-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111237;MM111237;C=CCC1CC(N)C1;HFAYEZRKRYYGAY-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111238;MM111238;N=CNC(=O)NC=NN;KWVKDGKWKSZSIA-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111239;MM111239;C#CCC1=NNC(=N)C1;JLQICDHOYITMAN-UHFFFAOYSA-N;121.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111240;MM111240;C=CCC1CC(F)C1;DPXTUJLUYSONTF-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111241;MM111241;O=CCC1CC(F)C1;ZYLBIWNOEPNKPM-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111242;MM111242;N#CCC1CC(F)C1;MVFNOZHFTYLSAW-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111243;MM111243;N=CNC1CC(N)C1;PPZNAMDSPSDRCR-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111244;MM111244;N=CNC1CC(O)C1;AJZIEZQUXILOPD-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111245;MM111245;O=CNC1CC(O)C1;FQCLZTUAULFVHQ-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111246;MM111246;N=CNC1CC(F)C1;VORNIXNFHGIDQZ-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111247;MM111247;O=CNC1CC(F)C1;PNXCFMZSIYMVRD-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111248;MM111248;C=NNC1CC(C)C1;KAEYCROLBUGCTP-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111249;MM111249;C=NNC1CC(N)C1;FZRJLYGOIYRLQQ-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111250;MM111250;CN(N)C=NN(C)C=NO;MUEJWBMKFXVFQR-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111251;MM111251;C=NNC1CC(F)C1;KXIZQSOVAXNKJB-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111252;MM111252;C=COC1CC(C)C1;JYLGUUAYEMQYGJ-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111253;MM111253;NC1CC(OC=O)C1;QXGSDPORDBDZPU-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111254;MM111254;C=COC1CC(O)C1;PACYDBLTVCPQPN-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111255;MM111255;C=COC1CC(F)C1;QHGZWVHJHBJESB-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111256;MM111256;O=COC1CC(F)C1;OACFBRBKNHPDSR-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111257;MM111257;C=NOC1CC(C)C1;LBLXJDWVQBYLCC-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111258;MM111258;C=NOC1CC(N)C1;BQIMHMUXEVGXNY-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111259;MM111259;C=CCC1CC(C)N1;GXNZCIVFJBSTNT-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111260;MM111260;CC1CC(CC#N)O1;XJYFEFUVRKLINE-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111261;MM111261;C=CCC1CN(C)C1;VLZBHEVDOHHBAY-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111262;MM111262;CN1CC(NC=N)C1;YTYHXYIOCAIWJQ-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111263;MM111263;C=NNC1CN(C)C1;WNSNQHBWAMJGCA-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111264;MM111264;C=CCN1CC(C)C1;MIQORPDRIGPQJI-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111265;MM111265;CC1CN(CC#N)C1;AHSYWOVRMBMRQZ-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111266;MM111266;C=CCN1CC(N)C1;MRGFPRNYBHSRGN-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111267;MM111267;C=C(NC(=N)C=NO)OC;WMMPJSRHWLLMLT-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111268;MM111268;C=CCN1CC(F)C1;ONPGUOKOSLUFAZ-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111269;MM111269;N#CCN1CC(F)C1;HLBQWXSFBBSFPW-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111270;MM111270;CC1CN(NC=N)C1;BCUFGCKBIOUGFE-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111271;MM111271;CC1CN(NC=O)C1;KNZZFYVRLXLABV-UHFFFAOYSA-N;114.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111272;MM111272;N=CNN1CC(N)C1;UIJFJDVUSRKREX-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111273;MM111273;NC1CN(NC=O)C1;BJYJICRMDPAKPP-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111274;MM111274;N=CNN1CC(O)C1;FIZLJWVAYKCQMR-UHFFFAOYSA-N;115.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111275;MM111275;O=CNN1CC(O)C1;ZPCWJWRGLKSSGD-UHFFFAOYSA-N;116.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111276;MM111276;N=CNN1CC(F)C1;KRTWWEAULCOTMM-UHFFFAOYSA-N;117.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111277;MM111277;C#CCC1CC(C)C1;LFMZPFOUCWWVSB-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111278;MM111278;C#CCC1CC(N)C1;KSMZHSQOWNDWAT-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111279;MM111279;C#CCC1CC(F)C1;ZYEONKVEXUHRCA-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111280;MM111280;C#CCC1CC(C)N1;PRSGTYHSSDOEOT-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111281;MM111281;C#CCC1CC(C)O1;VPXVNCWTVZSDRD-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111282;MM111282;C#CCC1CN(C)C1;IHMMUVUDTGVWEY-UHFFFAOYSA-N;109.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111283;MM111283;C#CCN1CC(N)C1;RSAZWBSZVMYTJT-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111284;MM111284;CCNN(C)C(=O)NOC;SLZLSZIEVNKBLF-UHFFFAOYSA-N;147.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111285;MM111285;C#CCN1CC(F)C1;PAHOLNVUVCGOAJ-UHFFFAOYSA-N;113.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111286;MM111286;CCCC1CC(=O)C1;PIZSVWRKUALQAY-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111287;MM111287;CC=CC(N)=C(C)C=NO;ITAJCLNZRUTUQX-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111288;MM111288;CNCC1CC(=O)C1;JIUQSIBZEPFEKB-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111289;MM111289;CCNC1CC(=O)C1;CVLQHDMXGRRHLD-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111290;MM111290;CCOC1CC(=O)C1;LVHZHHKPKYYHKS-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111291;MM111291;CCCC1CC(=O)N1;QPJCYJIZFCJYIR-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111292;MM111292;NCCC1CC(=O)N1;WZKJLPRUDLAWPS-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111293;MM111293;CNCC1CC(=O)N1;AJUSNNKKJGTKIU-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111294;MM111294;CCCC1CC(=O)O1;VLGDSNWNOFYURG-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111295;MM111295;NCCC1CC(=O)O1;RMIJXGHLXRETOV-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111296;MM111296;CNCC1CC(=O)O1;ISXDZFAVGGIWCX-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111297;MM111297;N=C(NC=O)C(N)C(F)F;MLJISCZZNQZFFD-UHFFFAOYSA-N;151.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111298;MM111298;C#CCC1=NN(C)C(=N)C1;KPUYHTHXSHBGEN-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111299;MM111299;C=CCC1CC(=O)C1;CXPXSMLXFZIINQ-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111300;MM111300;O=CCC1CC(=O)C1;XFRGQIVDVNEMDW-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111301;MM111301;N#CCC1CC(=O)C1;PZUCMMIBKLVHSP-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111302;MM111302;N=CNC1CC(=O)C1;UEECTJHFPVLEBZ-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111303;MM111303;O=CNC1CC(=O)C1;BEJPJXGEHSLURQ-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111304;MM111304;C=C(C=O)N(C=NO)NC;QXGJZJCIJRSWNX-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111305;MM111305;C=COC1CC(=O)C1;CWXCJNRRAOKEMC-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111306;MM111306;O=COC1CC(=O)C1;ITQCRHRFTIBQPF-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111307;MM111307;CN(C)C(C=CC#N)=NO;HOXABXKGKYKDPC-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111308;MM111308;O=CCC1CC(=O)N1;LYUJYGYXXYSADQ-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111309;MM111309;N#CCC1CC(=O)N1;QCEYMGLPEQFQOI-UHFFFAOYSA-N;110.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111310;MM111310;C=CCC1CC(=O)O1;YPWRRNLCAYVSGK-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111311;MM111311;O=CCC1CC(=O)O1;MYVUIXUEYXMWET-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111312;MM111312;CCONC(=O)NNC;NRGQVSIEXQDKKJ-UHFFFAOYSA-N;133.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111313;MM111313;N=C(N)C(=O)NOC=O;PKKDQYGXBOBBRV-UHFFFAOYSA-N;131.09;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111314;MM111314;N=CNN1CC(=O)C1;LGUFOXJAMDRGII-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111315;MM111315;C#CCC1CC(=O)C1;QRAUQNQRTDPXQZ-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111316;MM111316;C#CCC1CC(=O)N1;QVCHONSSRBMKHT-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111317;MM111317;C#CCC1CC(=O)O1;ZFZDNNBHZSQKMS-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111318;MM111318;CNN(C)C(=O)NOC;CEPCBTBYTQRWMK-UHFFFAOYSA-N;133.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111319;MM111319;CC=CC1CC(C)C1;XRIZPGDKJQFMAD-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111320;MM111320;CC=CC1CC(N)C1;VRQLOENCAOEWHK-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111321;MM111321;CC(=NN)N(N)C=NO;BAMJWYHWMQJIBS-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111322;MM111322;CC=CC1CC(F)C1;LRAMIXTWVOEBRT-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111323;MM111323;CC1CC(C=NN)C1;WCDWTQQSKFVMNR-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111324;MM111324;CC1CC(C=NO)C1;MVEZHNZADAEEFD-UHFFFAOYSA-N;113.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111325;MM111325;NC1CC(C=NO)C1;LTJWGBPCXFZINN-UHFFFAOYSA-N;114.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111326;MM111326;CC=CC1CC(C)N1;BOEAHQSVNMMGIL-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111327;MM111327;CC=CC1CC(C)O1;PJNBWQKGOGQBMD-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111328;MM111328;CN=CN1CC(C)C1;NCHYCIMSXZLWSX-UHFFFAOYSA-N;112.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111329;MM111329;CC1CN(C=NN)C1;FCJDPFGNWHSNLL-UHFFFAOYSA-N;113.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111330;MM111330;CN=CN1CC(N)C1;KHSPPNUNUXCBJS-UHFFFAOYSA-N;113.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111331;MM111331;CN=CN1CC(O)C1;MEWZQHDLMXEFRR-UHFFFAOYSA-N;114.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111332;MM111332;CN=CN1CC(F)C1;ZWSZMARQAUUTSZ-UHFFFAOYSA-N;116.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111333;MM111333;CC=NN1CC(C)C1;MWXSKRGEIPSMLY-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111334;MM111334;CC=NN1CC(N)C1;YQBOWEXWPITHHD-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111335;MM111335;CC1C(=N)NC(=O)N1N;ZAPHQOJBOWAKEE-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111336;MM111336;CC=NN1CC(F)C1;UKIOOKPNXYYLTB-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111337;MM111337;CC=CC1CC(=O)C1;TZDJOCMMXYTEGT-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111338;MM111338;O=C1CC(C=NO)C1;STJLJKJSQJUARU-UHFFFAOYSA-N;113.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111339;MM111339;CC=CC1CC(=O)N1;SHVXRTJGLOLUAD-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111340;MM111340;CC=CC1CC(=O)O1;JYGDLXCKZZOZAZ-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111341;MM111341;O=C1CN(C=NO)C1;OOCYUAGWRKTSTJ-UHFFFAOYSA-N;114.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111342;MM111342;Nc1[nH]c(CF)nc1O;BSNZNPLAXXCXFG-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111343;MM111343;CC#CC1CC(C)C1;WQFCWZUFLAEHRR-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111344;MM111344;CC#CC1CC(N)C1;FWSCUSOUBGGVQL-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111345;MM111345;CNN1CC(C=O)C1=O;ABGNCSBDFNYVCF-UHFFFAOYSA-N;128.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111346;MM111346;CC#CC1CC(F)C1;HFVQBLOXIZQGKN-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111347;MM111347;CC#CC1CC(C)N1;GKGDESYJUAKXQA-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111348;MM111348;CC#CC1CC(C)O1;KWCQBSJFRNNTSK-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111349;MM111349;CC#CC1CC(=O)C1;NSOMRZWRWWOJNQ-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111350;MM111350;CC#CC1CC(=O)N1;QDRABFPUCXBNTA-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111351;MM111351;CC#CC1CC(=O)O1;CCAWOFVOZCZONU-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111352;MM111352;CC1(N)CC2CC2C1;LTAJXYQEFLZXTC-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111353;MM111353;FC1(F)CC2CC2C1;RQKRUTMLUAZBCF-UHFFFAOYSA-N;118.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111354;MM111354;CC1(C)CC2OC2C1;UOBKXNXAZOVKSW-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111355;MM111355;CC1(N)CC2OC2C1;IOHIATDQRDGPQJ-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111356;MM111356;CC1(F)CC2OC2C1;WCSFDQGBFPWLKG-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111357;MM111357;NC1CC2(N)CC1C2;IHGVYUCQOUWJHN-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111358;MM111358;CC(CCN1CC1)=NO;YXGSMVWWGRYDAJ-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111359;MM111359;CC1CC2(C)CC1N2;HEUMQEMERSLWQT-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111360;MM111360;CC12CC(N)C(C1)N2;CMYGLAZYEQBULH-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111361;MM111361;CC12CC(O)C(C1)N2;DCADPGKOYJIOTI-UHFFFAOYSA-N;113.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111362;MM111362;CC12CC(F)C(C1)N2;VDNVVURQJSBNHM-UHFFFAOYSA-N;115.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111363;MM111363;CC1CC2(C)CC1O2;IMKDCYXHWXAWPP-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111364;MM111364;CC12CC(N)C(C1)O2;PEQNGFYGJZEWOP-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111365;MM111365;CC12CC(O)C(C1)O2;YZHOKGOAXRKVHZ-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111366;MM111366;CC12CC(F)C(C1)O2;GZPHHRBMUKOYII-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111367;MM111367;CN1CC2(N)CC1C2;GFNCVYRIZVMCNX-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111368;MM111368;C=C1CC2(C)CC1C2;JBXJPKGJGWQBNH-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111369;MM111369;CC12CC(=O)C(C1)C2;RQGVIRPSPFMUDU-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111370;MM111370;C=C1CC2(N)CC1C2;OMTQGMVTCNNPOA-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111371;MM111371;N=C(N)C(=O)NC(=O)CO;KKNZNOZIUKFDRG-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111372;MM111372;C=C1CC2(F)CC1C2;PTDSTFYNXDVGOA-UHFFFAOYSA-N;112.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111373;MM111373;CC12CC(C1)C(=N)N2;IHGBFXJIECXSSD-UHFFFAOYSA-N;110.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111374;MM111374;CC12CC(C1)C(=O)N2;SNZKKWAXOYGNQM-UHFFFAOYSA-N;111.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111375;MM111375;C=C1OC2(C)CC1C2;JEVWLOSJAVOGAL-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111376;MM111376;CC12CC(C1)C(=O)O2;UCGRAPIEYCSWQQ-UHFFFAOYSA-N;112.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111377;MM111377;CC1=CC2(C)CC1C2;DMZUHUPKIXEASP-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111378;MM111378;CC12C=C(F)C(C1)C2;HPQXQYRUEUAQOO-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111379;MM111379;CC1=CC2(N)CC1C2;VRZQUAVASYCUHQ-UHFFFAOYSA-N;109.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111380;MM111380;NC12C=C(F)C(C1)C2;WEOOILBZGMMXHW-UHFFFAOYSA-N;113.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111381;MM111381;N=CNC(=O)NOC(N)=O;BDMDHZJBJZKROY-UHFFFAOYSA-N;146.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111382;MM111382;OC12C=C(F)C(C1)C2;IUGJIJKHQNWFJR-UHFFFAOYSA-N;114.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111383;MM111383;CC1=CC2(F)CC1C2;NJOFYNNRMFLLSK-UHFFFAOYSA-N;112.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111384;MM111384;FC1=CC2(F)CC1C2;KLBBMINVSUOHOC-UHFFFAOYSA-N;116.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111385;MM111385;CC1=CC2(C)CC1N2;AUFKYDFILUVMOM-UHFFFAOYSA-N;109.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111386;MM111386;CC1=CC2(C)CC1O2;TWNMFTSTIBRADI-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111387;MM111387;CC12C=C(F)C(C1)O2;UQQJUVKVOMMXGR-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111388;MM111388;CCC(C)(CC)CF;USQOSYVBXJVUBK-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111389;MM111389;CCC(C)(CF)CF;UVQYOEYHMWKQBA-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111390;MM111390;CC(CN)(CO)CO;ORDSYPMMTHBAOG-UHFFFAOYSA-N;119.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111391;MM111391;CC(CF)(CF)CF;BNAZHZGBQQMRKK-UHFFFAOYSA-N;126.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111392;MM111392;CCC(N)(CC)CF;OAHZDRCESIFKOG-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111393;MM111393;CCC(O)(CO)CF;QOOIBFLBCCBAGT-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111394;MM111394;NCC(O)(CO)CO;RGYJIMPXWMLBNK-UHFFFAOYSA-N;121.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111395;MM111395;NCC(O)(CO)CF;CCJISMXOKMZUJI-UHFFFAOYSA-N;123.13;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111396;MM111396;OCC(O)(CO)CF;ZZJTWCRIDJWKHW-UHFFFAOYSA-N;124.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111397;MM111397;CCC(F)(CC)CF;UIJZEEQIFRXLEQ-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111398;MM111398;CCC(F)(CN)CO;HSVVPMUKPVEHIQ-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111399;MM111399;CCC(F)(CN)CF;YMOOBLCEJSIIMF-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111400;MM111400;NCC(F)(CN)CN;ISEXCLXQCWHAEE-UHFFFAOYSA-N;121.16;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111401;MM111401;NCC(F)(CN)CO;NCGQPFQIAAULLQ-UHFFFAOYSA-N;122.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111402;MM111402;NCC(F)(CN)CF;YVPPTHMTYHDNHZ-UHFFFAOYSA-N;124.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111403;MM111403;OCC(F)(CF)CF;RIRGDICXYJRZRW-UHFFFAOYSA-N;128.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111404;MM111404;CNC(C)(CO)CF;LCNOCEVTYPXBHJ-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111405;MM111405;COC(C)(CN)CN;QRTXUMIPXUABLY-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111406;MM111406;COC(C)(CN)CO;IKXDRLABEDWKII-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111407;MM111407;COC(C)(CN)CF;BPOSOEUATRIMTF-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111408;MM111408;COC(C)(CF)OC;HFCNTBBDWTUEPB-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111409;MM111409;C=CC(=N)NC(=O)C#CC;AZFDIVOHNVYFGU-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111410;MM111410;CCC(C)(C=O)CF;YZYRETXLAIEEPL-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111411;MM111411;C=CC(C)(CN)CO;ZEOGSQHKDKYJTL-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111412;MM111412;CC(C=O)(CO)CO;CBIFNLUPCWCNQT-UHFFFAOYSA-N;118.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111413;MM111413;CC(C=O)(CO)CF;GQTKIHRZGHMELQ-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111414;MM111414;CC(C#N)(CO)CF;DGZQBXFPZBMLND-UHFFFAOYSA-N;117.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111415;MM111415;C=CC(C)(CF)CF;YYSJSSCRPYXSAA-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111416;MM111416;CC(C=O)(CF)CF;VWRULTUKMLQMMB-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111417;MM111417;C=CC(N)(CC)CF;HYJFCCOVSSJRJK-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111418;MM111418;C=CC(O)(CN)CN;SGDPBZUXUYPZGG-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111419;MM111419;O=CC(O)(CO)CF;NLPFYKIGJCKRPO-UHFFFAOYSA-N;122.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111420;MM111420;N#CC(O)(CO)CF;CGSDDBZUYUKDBE-UHFFFAOYSA-N;119.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111421;MM111421;O=CC(O)(CF)CF;NTJZYMKSPKYZCT-UHFFFAOYSA-N;124.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111422;MM111422;CCC(F)(C#N)CC;HUGHCZILPQMRPR-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111423;MM111423;C=CC(F)(CC)CO;OTNQHAJANHPPCU-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111424;MM111424;CCC(C)(C#N)OC;NLLQZBUBGKURMJ-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111425;MM111425;COC(C)(C=O)CO;VDDCWBHKAWRFRS-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111426;MM111426;C=CC(C)(OC)OC;QGLWRYCBMDKTJD-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111427;MM111427;C#CC(C)(CF)CF;CVVSMGUYCRYNRU-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111428;MM111428;C#CC(N)(CN)CF;ZXCLKTHERYXKBK-UHFFFAOYSA-N;116.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111429;MM111429;C#CC(O)(CO)CF;LDMMMRGGHRTCEK-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111430;MM111430;C#CC(F)(CC)CO;DAIJRNLCIMMYKE-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111431;MM111431;C#CC(F)(CN)CF;DPKSSGKLQWGVLV-UHFFFAOYSA-N;119.11;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111432;MM111432;C#CC(F)(CO)CF;FSWVBDLUZKWISW-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111433;MM111433;C#CC(C)(CF)OC;YVNHGUVBUDJIRK-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111434;MM111434;C=CC(C)(C=O)CF;RAMBODUMPVGANV-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111435;MM111435;C=CC(O)(C=C)CF;OVBSFJWWDPUAMN-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111436;MM111436;C=CC(O)(C=O)CF;OBJVDNMAGQWTSG-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111437;MM111437;O=CC(O)(C=O)CF;REGKACRDYRNTON-UHFFFAOYSA-N;120.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111438;MM111438;N#CC(O)(C#N)CF;BEZSQZBPOGBTDW-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111439;MM111439;C=CC(F)(C=C)CO;YWTPKOMHTXKFCY-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111440;MM111440;C=CC(F)(C=C)CF;GUOPXMWDJKUKJT-UHFFFAOYSA-N;118.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111441;MM111441;N#CC(F)(C=O)CF;YWCDGRAJYWOAHG-UHFFFAOYSA-N;119.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111442;MM111442;C=CC(C)(C#N)OC;MXSCCGBBYHOJOF-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111443;MM111443;C#CC(C)(C=O)CO;BFZHMSLDHSCWFS-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111444;MM111444;C#CC(C)(C#N)CF;ZEUISPQIHDEMRC-UHFFFAOYSA-N;111.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111445;MM111445;C#CC(O)(C=C)CF;MJTCNMIKXRQDSE-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111446;MM111446;C#CC(F)(C#N)CF;ZAQJNAVQDBWDAU-UHFFFAOYSA-N;115.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111447;MM111447;C#CC(C)(C#C)CF;AMMPKBQTSXHODE-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111448;MM111448;C#CC(F)(C#C)CF;YHDCRKPFIAGVFH-UHFFFAOYSA-N;114.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111449;MM111449;C=CC(F)(C=C)C=O;LZXLUWOUCJEVDB-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111450;MM111450;C=CC(F)(C#N)C#N;ZSLWOXZKIZZOKX-UHFFFAOYSA-N;110.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111451;MM111451;C#CC(F)(C=C)C=O;IVUCXJFKMBPMNR-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111452;MM111452;C#CC(F)(C#C)C=O;XYFYKPKHPAYLMP-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111453;MM111453;CCC(C)C(C)CC;RNTWWGNZUXGTAX-UHFFFAOYSA-N;114.23;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111454;MM111454;CCC(C)C(C)CN;RAGDXPNFHKXRDH-UHFFFAOYSA-N;115.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111455;MM111455;CC(O)CC(=NO)N(C)N;WAFKAJMERSWWRR-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111456;MM111456;CCC(C)C(C)CF;VVNSPZZUZMYGJW-UHFFFAOYSA-N;118.2;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111457;MM111457;CC(CF)C(C)CF;QZWSGDMVEBRYAZ-UHFFFAOYSA-N;122.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111458;MM111458;CCC(C)C(N)CC;MDNNVKMUIHATNR-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111459;MM111459;CCC(C)C(N)CF;MFIBPMOMUDHBFP-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111460;MM111460;CC(CN)C(N)CN;QFMUBUVHBANBEA-UHFFFAOYSA-N;117.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111461;MM111461;CC(CN)C(N)CO;HPKZTFVWCYQSQY-UHFFFAOYSA-N;118.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111462;MM111462;CC(CO)C(N)CN;URKUBFXKHWJYLA-UHFFFAOYSA-N;118.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111463;MM111463;CC(CO)C(N)CO;DAFJFYRIYSHJHT-UHFFFAOYSA-N;119.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111464;MM111464;NN(C=CCCF)C=NO;RIAGERKURLTJCH-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111465;MM111465;CCC(C)C(O)CF;MMBWUKYCYHXJDO-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111466;MM111466;CC(CN)C(O)CN;WXATYGUVHHJVRV-UHFFFAOYSA-N;118.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111467;MM111467;CC(CN)C(O)CO;WCSCKWGNMPBGTM-UHFFFAOYSA-N;119.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111468;MM111468;CC(CO)C(O)CN;KLYXYTGGLHPZRA-UHFFFAOYSA-N;119.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111469;MM111469;CC(CO)C(O)CO;RXEJCNRKXVSXDJ-UHFFFAOYSA-N;120.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111470;MM111470;CC(CO)C(O)CF;JGMSBWYPDBMOHY-UHFFFAOYSA-N;122.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111471;MM111471;CCC(C)C(F)CC;WZPGLWJJLJHDLN-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111472;MM111472;CCC(F)C(C)CF;PBYKBXOQPROMOI-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111473;MM111473;CC(CF)C(F)CF;LKEMTNPWHHLCTJ-UHFFFAOYSA-N;126.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111474;MM111474;CCC(N)C(N)CN;WKQXKMPAJBDQGB-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111475;MM111475;CCC(N)C(N)CO;XPIIUVPVQBEWJH-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111476;MM111476;NCC(N)C(N)CN;GBEUVFRMFKMDER-UHFFFAOYSA-N;118.18;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111477;MM111477;NCC(N)C(N)CO;FRJPRIAPRKTFAP-UHFFFAOYSA-N;119.17;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111478;MM111478;NC(CO)C(N)CO;JOINEDRPUPHALH-UHFFFAOYSA-N;120.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111479;MM111479;NC(CO)C(N)CF;QDYJDUXTUZCAIL-UHFFFAOYSA-N;122.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111480;MM111480;CCC(N)C(O)CN;GVXUJMQCQFLYQE-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111481;MM111481;CCC(N)C(O)CO;GXJFPLPAKFEMGI-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111482;MM111482;CCC(N)C(O)CF;OUPNBOQJQKWHOP-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111483;MM111483;CCC(O)C(N)CN;OKKFMMLNNQXOQW-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111484;MM111484;NCC(N)C(O)CN;BRKJWNVSGUAKCJ-UHFFFAOYSA-N;119.17;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111485;MM111485;NCC(N)C(O)CO;SBISYUYKFQBHEF-UHFFFAOYSA-N;120.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111486;MM111486;CCC(O)C(N)CO;PJBQQLVBENTUQY-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111487;MM111487;NCC(O)C(N)CO;XZXHZMMPPLVBHM-UHFFFAOYSA-N;120.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111488;MM111488;NC(CO)C(O)CO;PMLGQXIKBPFHJZ-UHFFFAOYSA-N;121.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111489;MM111489;CCC(O)C(N)CF;OKLUKBSXJHWBED-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111490;MM111490;NC(CF)C(O)CF;RHSZKLMZRNNEDD-UHFFFAOYSA-N;125.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111491;MM111491;CCC(N)C(F)CC;VYXJOAHXMMNJLG-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111492;MM111492;CCC(N)C(F)CN;ZFSVMMQVHYSDCM-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111493;MM111493;CCC(N)C(F)CO;FOSAKGKRWTZPFC-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111494;MM111494;NCC(F)C(N)CO;PJDPYIRTMJPQAB-UHFFFAOYSA-N;122.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111495;MM111495;CCC(O)C(O)CN;LBVUIQHDEKEQEF-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111496;MM111496;CCC(O)C(O)CO;AALKGALVYCZETF-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111497;MM111497;CCC(O)C(O)CF;SFLDBQRHYAGJRY-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111498;MM111498;NCC(O)C(O)CN;HYXRUUHQXNAFAJ-UHFFFAOYSA-N;120.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111499;MM111499;NCC(O)C(O)CO;WIFPJDJJFUSIFP-UHFFFAOYSA-N;121.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111500;MM111500;OCC(O)C(O)CO;UNXHWFMMPAWVPI-UHFFFAOYSA-N;122.12;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111501;MM111501;OCC(O)C(O)CF;CUOSPQVSPJHNSL-UHFFFAOYSA-N;124.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111502;MM111502;OC(CF)C(O)CF;JASOKEFDYITHQY-UHFFFAOYSA-N;126.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111503;MM111503;CCC(O)C(F)CN;ZQKXHELJXWLCJR-UHFFFAOYSA-N;121.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111504;MM111504;CCC(O)C(F)CO;JCENZDNMEYPSIZ-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111505;MM111505;CCC(O)C(F)CF;ZLWQGMZSDAVIMQ-UHFFFAOYSA-N;124.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111506;MM111506;NCC(O)C(F)CN;ZIHVLGBRGCGQRD-UHFFFAOYSA-N;122.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111507;MM111507;CCC(F)C(O)CO;LOLODURNYXKXOP-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111508;MM111508;OCC(O)C(F)CO;WPYWKCWSXZEURY-UHFFFAOYSA-N;124.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111509;MM111509;NCC(F)C(O)CF;VHGRCTCXCJSXRE-UHFFFAOYSA-N;125.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111510;MM111510;OCC(F)C(O)CF;JZQUBBIDGPYDQN-UHFFFAOYSA-N;126.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111511;MM111511;OC(CF)C(F)CF;FPHNSXXBVSKZIF-UHFFFAOYSA-N;128.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111512;MM111512;CCC(F)C(F)CN;FZSOOOXVPSMKKP-UHFFFAOYSA-N;123.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111513;MM111513;CCC(F)C(F)CF;FBLQSRFJQWYGKQ-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111514;MM111514;NCC(F)C(F)CO;JXDKIKQLIMGYOR-UHFFFAOYSA-N;125.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111515;MM111515;CNC(C)C(N)CN;NAUJDMRNNMJRSF-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111516;MM111516;CNC(C)C(N)CO;PZFPMUQXALRZTC-UHFFFAOYSA-N;118.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111517;MM111517;CNC(C)C(O)CO;MMRKARJMKBRLSS-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111518;MM111518;CNC(C)C(O)CF;UAOVNHJRLZSIPN-UHFFFAOYSA-N;121.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111519;MM111519;CNC(C)C(F)CO;WLHALNJEJKQHSV-UHFFFAOYSA-N;121.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111520;MM111520;CCC(C)C(C)OC;ZXVHDFULCANHLR-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111521;MM111521;COC(C)C(C)CO;ZIMFYUVBZDZPGP-UHFFFAOYSA-N;118.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111522;MM111522;COC(C)C(C)CF;XRNDEFISJFCJPG-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111523;MM111523;COC(C)C(N)CN;WCLDDTILFDCSDQ-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111524;MM111524;COC(C)C(N)CO;VQUTYQMVHBLVDR-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111525;MM111525;COC(C)C(N)CF;YVWIOTDEOLETPX-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111526;MM111526;CCC(O)C(C)OC;XIRSUXFZVLKHKX-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111527;MM111527;COC(C)C(O)CN;RJIIHJBWAUNTPR-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111528;MM111528;COC(C)C(O)CO;GZXFYIDYTCWDDN-UHFFFAOYSA-N;120.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111529;MM111529;CCC(F)C(C)OC;PDPPVPQUMXNNRY-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111530;MM111530;CNC(C)C(C)OC;YFQCJCJNUAWYQG-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111531;MM111531;COC(C)C(C)OC;RLPGNHILYGVQDE-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111532;MM111532;CCC(C)N(C)CC;HAFZSBASGRZPLA-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111533;MM111533;C=CC(C)C(C)CC;OWWRMMIWAOBBFK-UHFFFAOYSA-N;112.22;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111534;MM111534;CCC(C)C(C)C=O;BOHKXQAJUVXBDQ-UHFFFAOYSA-N;114.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111535;MM111535;CCC(C)C(C)C#N;ALZYMJVIVGSIHN-UHFFFAOYSA-N;111.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111536;MM111536;C=CC(C)C(C)CN;XRULUROEEYETJI-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111537;MM111537;C=CCc1cn(O)c(C)n1;PCCZUBKFWPKKPG-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111538;MM111538;C=CC(C)C(C)CF;OSMPPCVBMJGTJT-UHFFFAOYSA-N;116.18;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111539;MM111539;CC(C#N)C(C)CF;CNQASZKUDZADHX-UHFFFAOYSA-N;115.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111540;MM111540;C=CC(N)C(C)CC;QBEYFEXOKSGDLL-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111541;MM111541;CCC(C)C(O)C#N;VEUXFHXLRIRHPG-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111542;MM111542;CC(CO)C(O)C#N;AGEVVSVQYBLTJQ-UHFFFAOYSA-N;115.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111543;MM111543;C=CC(F)C(C)CC;BOFHDQBUQODZFN-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111544;MM111544;CCC(C)C(F)C=O;WPFLOCYRYFYDTA-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111545;MM111545;CCC(C)C(F)C#N;AEZGVOYRVUPNEM-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111546;MM111546;C=CC(F)C(C)CN;CJAQLWCURGCCJS-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111547;MM111547;C=CC(F)C(C)CO;KDTRMOMJVFXICG-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111548;MM111548;CC(CO)C(F)C=O;XXKOQXSYTIALOF-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111549;MM111549;C=CC(F)C(C)CF;OROOAJYEMFEDSS-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111550;MM111550;CC(CF)C(F)C=O;NZHGFOBTCGJQKE-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111551;MM111551;C=CC(N)C(N)CN;NXZVGYOSFJWTRM-UHFFFAOYSA-N;115.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111552;MM111552;C=CC(N)C(N)CO;QEXOWGMUKLOIFB-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111553;MM111553;C=CC(N)C(N)CF;AKFWQCGNACDSLQ-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111554;MM111554;C=CC(O)C(N)CN;QDGIMUUJWQQNHG-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111555;MM111555;C=CC(O)C(N)CO;YYAPFWJOYCVYIV-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111556;MM111556;C=CC(F)C(N)CC;HWXROIXXSBQQFM-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111557;MM111557;C=CC(F)C(N)CN;RGBZETAPHWIHQH-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111558;MM111558;CC(C=O)C(O)CO;ANGYXXMPPCVSHB-UHFFFAOYSA-N;118.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111559;MM111559;C=CC(N)C(O)CN;FOYCMEIQUOSPBP-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111560;MM111560;C=CC(N)C(O)CO;QSZZICSHSSHTNY-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111561;MM111561;C=CC(N)C(O)CF;YHFIHNOURGKVDU-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111562;MM111562;CCC(O)C(O)C#N;USEQZQWXPQXSPX-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111563;MM111563;C=CC(O)C(O)CN;RIBWZLJVEAAKEZ-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111564;MM111564;C=CC(O)C(O)CO;MHGMBRBPBZPUAD-UHFFFAOYSA-N;118.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111565;MM111565;O=CC(O)C(O)CO;YTBSYETUWUMLBZ-UHFFFAOYSA-N;120.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111566;MM111566;C=CC(O)C(O)CF;DLAXAPKTBSZKKK-UHFFFAOYSA-N;120.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111567;MM111567;N#CC(O)C(O)CF;FTMVGMBRHLUKIN-UHFFFAOYSA-N;119.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111568;MM111568;N#CC(F)C(O)CO;PBOZYYLLDWQLHJ-UHFFFAOYSA-N;119.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111569;MM111569;C=CC(C)C(F)CC;CXEUQDLJNRCJEN-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111570;MM111570;CCC(F)C(C)C=O;BHIWLKQYVVXRIO-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111571;MM111571;CCC(F)C(C)C#N;NGPNKHBUWRZIBA-UHFFFAOYSA-N;115.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111572;MM111572;CC(C=O)C(F)CO;LGNYRJCISDRXBK-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111573;MM111573;C=CC(C)C(F)CF;PYOAEFSTIOUOEK-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111574;MM111574;C=CC(N)C(F)CN;FPSVWUNDKMNKKC-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111575;MM111575;CCC(F)C(O)C#N;PNYOEHVVNZPLAJ-UHFFFAOYSA-N;117.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111576;MM111576;C=CC(O)C(F)CN;NCSZYKVEMLUNHS-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111577;MM111577;C=CC(O)C(F)CO;QOYIQJYWVGOAQJ-UHFFFAOYSA-N;120.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111578;MM111578;O=CC(O)C(F)CO;XTSFHIPRAIWLGD-UHFFFAOYSA-N;122.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111579;MM111579;C=CC(O)C(F)CF;IZBYBUCXFSVULN-UHFFFAOYSA-N;122.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111580;MM111580;CCC(F)C(F)C#N;UZBUROINONTTSK-UHFFFAOYSA-N;119.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111581;MM111581;CNC(C)C(O)C=O;BVNHIYYGNWFVBN-UHFFFAOYSA-N;117.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111582;MM111582;C=CC(F)C(C)NC;MPBWPCHGGQXRSL-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111583;MM111583;C=CC(C)C(C)OC;ASYPTOFNOLPSCA-UHFFFAOYSA-N;114.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111584;MM111584;C=CC(N)C(C)OC;NCKZCACMVVWGNQ-UHFFFAOYSA-N;115.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111585;MM111585;C=CC(F)C(C)OC;RZKSZYDJEHRIBP-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111586;MM111586;COC(C)C(F)C#N;IKWNBYTUQODACB-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111587;MM111587;CCC(C)N(C)C=N;VPIWWCCRYWALKK-UHFFFAOYSA-N;114.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111588;MM111588;CCC(C)N(C)C=O;MXYFMPRGFDCMCI-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111589;MM111589;CC(CN)N(C)C=N;HIMWEQFLTXDVFX-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111590;MM111590;CC(CN)N(C)C=O;GLYCROUNFJIHGF-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111591;MM111591;CC(CO)N(C)C=O;RHOXVSORFNWNPZ-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111592;MM111592;CC(CF)N(C)C=N;AIQMQUUQASPPOV-UHFFFAOYSA-N;118.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111593;MM111593;CC(CF)N(C)C=O;XAYTXVKVYZPOIU-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111594;MM111594;CON=CNNC(=O)CF;DONOVZHUKZIAEP-UHFFFAOYSA-N;149.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111595;MM111595;CC(CF)N(N)C=O;ODCCDLLHQAJAPO-UHFFFAOYSA-N;120.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111596;MM111596;C=NN(C)C(C)CC;YWASFILQGMXXGJ-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111597;MM111597;CCN(C)N(C)C=N;FYQDVXSOUPHTJX-UHFFFAOYSA-N;115.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111598;MM111598;CCN(C)N(C)C=O;AOXYRKLBNYALMZ-UHFFFAOYSA-N;116.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111599;MM111599;C#CC(C)C(C)CC;GYXPVYPQOHEKON-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111600;MM111600;C=CNC(=NO)NC=NO;CJQSDGQORVMZFD-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111601;MM111601;C#CC(C)C(C)CF;GOGIEDSVNCKDPT-UHFFFAOYSA-N;114.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111602;MM111602;C#CC(N)C(C)CC;VOCRJRSSMUVEOT-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111603;MM111603;C#CC(O)C(C)CC;RTEYYSJOBZEKTH-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111604;MM111604;C#CC(F)C(C)CC;WVCZQAKTYCZMJD-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111605;MM111605;C#CC(F)C(C)CO;CHBZHQBIJRQHPQ-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111606;MM111606;C#CC(C)C(N)CC;WCPPMZVFJOVJDJ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111607;MM111607;C#CC(C)C(N)CN;OEPZKHTUWKPYSU-UHFFFAOYSA-N;112.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111608;MM111608;C#CC(C)C(N)CO;NHYCVSHFYPPCNM-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111609;MM111609;C#CC(N)C(N)CC;FCIHAYUZAOCLPC-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111610;MM111610;C#CC(N)C(N)CN;XQBSGRYMJJTOSE-UHFFFAOYSA-N;113.16;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111611;MM111611;C#CC(N)C(N)CO;CFESJFFGGCGQLV-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111612;MM111612;C#CC(N)C(N)CF;VJZCTJCZSWKWAJ-UHFFFAOYSA-N;116.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111613;MM111613;C#CC(O)C(N)CC;NWHWFJMCEXFMRT-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111614;MM111614;C#CC(O)C(N)CN;ALPWMAZMGMXKIY-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111615;MM111615;C#CC(O)C(N)CO;NKROBXITHIVCSO-UHFFFAOYSA-N;115.13;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111616;MM111616;C#CC(F)C(N)CC;FIBXLQIQPOLJFI-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111617;MM111617;C#CC(F)C(N)CN;UJSMCEFUHSHUAF-UHFFFAOYSA-N;116.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111618;MM111618;CNc1nc(N)n(O)c1O;JDACIUBXKJRNRP-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111619;MM111619;C#CC(C)C(O)CN;KKPVYRHDJKOJBY-UHFFFAOYSA-N;113.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111620;MM111620;C#CC(C)C(O)CO;RPRJBDNMCCRCAO-UHFFFAOYSA-N;114.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111621;MM111621;C#CC(N)C(O)CC;FWWBMEOXJINZKB-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111622;MM111622;C#CC(N)C(O)CN;DBANAEGJLVLYNF-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111623;MM111623;C#CC(N)C(O)CF;ULSGXFFXACVFKZ-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111624;MM111624;C#CC(O)C(O)CC;ITDXCMXSVBWLHW-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111625;MM111625;C#CC(O)C(O)CN;QNOMIDKKQRYMGP-UHFFFAOYSA-N;115.13;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111626;MM111626;C#CC(O)C(O)CO;AGZXVIPOGMXNMM-UHFFFAOYSA-N;116.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111627;MM111627;C#CC(O)C(O)CF;IQMILUMUXXMOMC-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111628;MM111628;C#CC(F)C(O)CC;XXVDVXBCCMTUQU-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111629;MM111629;C#CC(F)C(O)CN;QITKLAIENYHIEZ-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111630;MM111630;C#CC(F)C(O)CO;JGJILOLVZUSOLI-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111631;MM111631;C#CC(F)C(O)CF;UYSIBORBBJYGTF-UHFFFAOYSA-N;120.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111632;MM111632;C#CC(C)C(F)CC;MUPVILFGOMUDDR-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111633;MM111633;C#CC(C)C(F)CN;KFGJGXXRRDPXON-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111634;MM111634;C#CC(C)C(F)CO;KVWRSRMYYAIXLM-UHFFFAOYSA-N;116.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111635;MM111635;C#CC(C)C(F)CF;WZEYPVCVTSEKEY-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111636;MM111636;C#CC(N)C(F)CN;YJFMUHRIMQSKDV-UHFFFAOYSA-N;116.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111637;MM111637;C#CC(O)C(F)CC;AJOFXWUCFXYENY-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111638;MM111638;C#CC(O)C(F)CN;WMWPIRCHLBHWJX-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111639;MM111639;C#CC(O)C(F)CO;BLHCVLMGPZVWOY-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111640;MM111640;C#CC(F)C(F)CC;OSAJDEHSVWQGCM-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111641;MM111641;C#CC(C)C(C)OC;NPQWDEZLIBTBNP-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111642;MM111642;C#CC(N)C(C)OC;REQJDKXJYIQOHX-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111643;MM111643;C#CC(F)C(C)OC;KDFJSXGNCBQDMZ-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111644;MM111644;C#CC(C)N(C)CC;TUYRDTSNSLAGBN-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111645;MM111645;C=CC(C)C(C)C=C;BKVALJGAKNDDJJ-UHFFFAOYSA-N;110.2;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111646;MM111646;C=CC(C)C(C)C#N;WJBILHHJVPOYRW-UHFFFAOYSA-N;109.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111647;MM111647;CC(C=O)C(C)C=O;BNCSCBPQSPQFAW-UHFFFAOYSA-N;114.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111648;MM111648;C=CC(C)C(O)C#N;LXECREXNERAFBL-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111649;MM111649;CC(C=O)C(O)C=O;KEIJBEOTIBZIKV-UHFFFAOYSA-N;116.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111650;MM111650;C=CC(N)C(N)C=C;LVRPGLVPYGCIAI-UHFFFAOYSA-N;112.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111651;MM111651;O=CC(O)C(O)C=O;UUWVJXZLAWXQBU-UHFFFAOYSA-N;118.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111652;MM111652;C=CC(O)C(F)C=C;HLVRLVPBYZAEFB-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111653;MM111653;C=CC(O)C(F)C=O;CPTFDBHPXUIPFI-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111654;MM111654;N#CC(F)C(O)C=O;IQRJWTGPFNDESL-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111655;MM111655;C=CC(F)C(F)C#N;KHGMYNMONBGAMT-UHFFFAOYSA-N;117.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111656;MM111656;N#CC(F)C(F)C#N;QZDWPKVFWKRREQ-UHFFFAOYSA-N;116.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111657;MM111657;C=CC(C)N(C)C=N;XFJTWQVWJLZLGA-UHFFFAOYSA-N;112.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111658;MM111658;NN=C1C=CC(=NO)CC1;SJIMBFMVWPJPLW-UHFFFAOYSA-N;139.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111659;MM111659;CN(C=O)N(C)C=O;JMNWLQAMASKHQK-UHFFFAOYSA-N;116.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111660;MM111660;C#CC(C)C(C)C=C;YZDGXQKKOPPUQT-UHFFFAOYSA-N;108.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111661;MM111661;C#CC(C)C(C)C#N;QTDWNPCHBBNXCB-UHFFFAOYSA-N;107.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111662;MM111662;C#CC(O)C(C)C=O;ZNWVAWVTXKXKFX-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111663;MM111663;C#CC(F)C(C)C=C;XIYOFXUKCOXYTQ-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111664;MM111664;C#CC(F)C(C)C=O;NEUGYDRHXGGTRK-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111665;MM111665;C#CC(C)C(N)C=C;ZPEHOVHIPIOFED-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111666;MM111666;C#CC(N)C(N)C=C;QGNMQSDERQABPT-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111667;MM111667;C#CC(O)C(O)C=O;MTZOMKGTGOVYDB-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111668;MM111668;C#CC(C)C(F)C=C;ZHJPFKUEHQEKRV-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111669;MM111669;C#CC(C)C(F)C=O;WYBWNWVWWKCVFY-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111670;MM111670;C#CC(C)C(F)C#N;RURABCSZHJNFOB-UHFFFAOYSA-N;111.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111671;MM111671;C#CC(O)C(F)C#N;YSHPYPXCTXCSKL-UHFFFAOYSA-N;113.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111672;MM111672;C#CC(F)C(F)C#N;CNKORTVCBAWGQW-UHFFFAOYSA-N;115.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111673;MM111673;C#CC(C)N(N)C=O;NGOYDEDGJFECEV-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111674;MM111674;C#CC(C)N(C)N=C;XHGGVLHBMUQZIL-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111675;MM111675;C#CC(C)C(C)C#C;OCZFEHQJSQDCTK-UHFFFAOYSA-N;106.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111676;MM111676;C#CC(C)C(N)C#C;KHLWYQGUMWTSRJ-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111677;MM111677;C#CC(C)C(O)C#C;ANUCQMKXLHZLSN-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111678;MM111678;C#CC(C)C(F)C#C;FTLVJWYLEUDZPM-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111679;MM111679;C#CC(F)C(F)C#C;YNPMHMPAHGCCEJ-UHFFFAOYSA-N;114.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111680;MM111680;C=C(CC)C(C)CC;YXLCVBVDFKWWRW-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111681;MM111681;C=C(CN)C(C)CC;MQELHURCJKCUHB-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111682;MM111682;CC(C=C(N)CO)=NO;LHHXGXCWUJQCGO-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111683;MM111683;C=C(CF)C(C)CC;MCGUECOAVAUBKV-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111684;MM111684;C=C(CC)C(C)CN;CXMZZAIMXCWCTG-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111685;MM111685;C=C(CF)C(C)CN;GBMGKZPKASUHMP-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111686;MM111686;CC1C(=NO)N=CN1C;IRNYFYPRJUNBSD-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111687;MM111687;C=C(CF)C(C)CO;BWLVXJOLVGMREJ-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111688;MM111688;C=C(CC)C(C)CF;NRXHIIRWMZGITF-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111689;MM111689;C=C(CN)C(C)CF;JEANUCIYSIRUAZ-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111690;MM111690;C=C(CF)C(C)CF;LSRYNKPNSAMLNH-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111691;MM111691;CCC(=O)C(C)CC;ULPMRIXXHGUZFA-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111692;MM111692;CCC(C)C(=O)CO;FBLPDPUHAXQBLV-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111693;MM111693;CCC(C)C(=O)CF;UEQUERDDUUBLJA-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111694;MM111694;CC(CO)C(=O)CF;RODWCZMFZCLGBT-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111695;MM111695;CCC(=O)C(C)CF;IOAHRIWWXALIKT-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111696;MM111696;C=C(CC)C(N)CC;NSGSQWNQJPZVDO-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111697;MM111697;C=C(CN)C(N)CC;XZKQDEMSHUUOIH-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111698;MM111698;C=C(CF)C(N)CC;YMNFPLDECFFGRL-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111699;MM111699;C=C(CN)C(N)CN;ISQSNONJHLVWSC-UHFFFAOYSA-N;115.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111700;MM111700;C=C(CO)C(N)CN;VOHXSKZPYWTRPY-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111701;MM111701;C=C(CF)C(N)CN;KILYQTCQSFLTGX-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111702;MM111702;C=C(CN)C(N)CO;SETPQZMUBJUFIW-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111703;MM111703;C=C(CO)C(N)CO;PPBHFQUSSGTTMA-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111704;MM111704;C=C(CF)C(N)CO;KJFPDPZCQLRHQQ-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111705;MM111705;C=C(CC)C(N)CF;QWHPYNYAUHTNEM-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111706;MM111706;C=C(CN)C(N)CF;FBTHJDJBFYKLMH-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111707;MM111707;CNC1=CC(=NO)OC1;IHGVSXOEPGXPCJ-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111708;MM111708;C=C(CF)C(O)CC;YDKJVMCIGSYJCI-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111709;MM111709;C=C(CN)C(O)CN;OJUQSNSNMUSNJV-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111710;MM111710;C=C(CO)C(O)CN;GNZOBOHMPYPHDZ-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111711;MM111711;C=C(CF)C(O)CN;KAQRUNFNSBVXDU-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111712;MM111712;C=C(CN)C(O)CO;LPDAZIGXOJTBFH-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111713;MM111713;C=C(CO)C(O)CO;PGARYUHLQUORKU-UHFFFAOYSA-N;118.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111714;MM111714;C=C(CN)C(O)CF;FLVNQCXPGRQDBE-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111715;MM111715;CCC(O)C(=O)CO;PSVHBERWTCIGEC-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111716;MM111716;CCC(=O)C(O)CO;WKEUBDFSRNJNQL-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111717;MM111717;O=C(CO)C(O)CO;UQPHVQVXLPRNCX-UHFFFAOYSA-N;120.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111718;MM111718;CCC(=O)C(O)CF;WWIITNMGPWOVOM-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111719;MM111719;O=C(CO)C(O)CF;DBKRNFYGLUQJRJ-UHFFFAOYSA-N;122.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111720;MM111720;C=C(CC)C(F)CC;QRQAQDLCCABRIH-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111721;MM111721;C=C(CN)C(F)CC;IHAGWEQSHUAWEH-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111722;MM111722;C=C(CF)C(F)CC;QSIKNGARSJIGKY-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111723;MM111723;C=C(CC)C(F)CN;DMPSLRDJKLAZRB-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111724;MM111724;C=C(CN)C(F)CN;PZLONSWZXDJCNU-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111725;MM111725;C=C(CN)C(F)CO;WJAYWQNWXWQLSE-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111726;MM111726;C=C(CN)C(F)CF;AUAQAGKIJPIJSZ-UHFFFAOYSA-N;121.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111727;MM111727;CCC(=O)C(F)CC;UASTXEKUUGGFEQ-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111728;MM111728;CCC(F)C(=O)CF;IEIZAVXWNIOTLL-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111729;MM111729;O=C(CF)C(F)CO;RHMKZHAUSVAMFL-UHFFFAOYSA-N;124.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111730;MM111730;CCC(=O)C(F)CF;OFPIDGYYWDAKRP-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111731;MM111731;CCC(C)C(=N)NC;RPTOZTCMBIZQPL-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111732;MM111732;CCC(C)C(=N)NO;ZFGUAQSDWQIVMM-UHFFFAOYSA-N;116.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111733;MM111733;CNC(=N)C(C)CN;YBXMRJRNNVOTIS-UHFFFAOYSA-N;115.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111734;MM111734;CC(CN)C(=N)NO;NRGNZCHOILLCNW-UHFFFAOYSA-N;117.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111735;MM111735;CC(CO)C(=N)NN;SUJNRLKMHHNWLR-UHFFFAOYSA-N;117.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111736;MM111736;CC(CO)C(=N)NO;NZQNSWQAEBRRJH-UHFFFAOYSA-N;118.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111737;MM111737;CNC(=N)C(C)CF;UQJFOEAKCNMKJU-UHFFFAOYSA-N;118.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111738;MM111738;CC(CF)C(=N)NO;ONNWECOAMAGPHY-UHFFFAOYSA-N;120.13;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111739;MM111739;CC(=N)NC(=O)CC(F)F;WJIOCBZOPVJODV-UHFFFAOYSA-N;150.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111740;MM111740;CNC(=O)C(C)CN;LXIHHWBRAUAUCF-UHFFFAOYSA-N;116.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111741;MM111741;CC(CN)C(=O)NO;JIAKOOANHRTHOU-UHFFFAOYSA-N;118.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111742;MM111742;CNC(=O)C(C)CO;GBCHGKJHHHFXHR-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111743;MM111743;CC(C)(F)C(=N)NC=NO;AJQHYZDWTIQVGS-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111744;MM111744;CC(CO)C(=O)NO;DTGJRZBVLCOTEG-UHFFFAOYSA-N;119.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111745;MM111745;CNC(=O)C(C)CF;DDGLXBBAGCRFBO-UHFFFAOYSA-N;119.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111746;MM111746;CCC(N)C(=N)NC;RIHDBRMYPBKSGT-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111747;MM111747;CCC(N)C(=N)NO;YGGDZWDHUYCJOV-UHFFFAOYSA-N;117.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111748;MM111748;CNC(=N)C(N)CN;LXHFYYAJXXHTBZ-UHFFFAOYSA-N;116.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111749;MM111749;CCC(N)C(=O)NC;ZHOQLXVRCKUUQZ-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111750;MM111750;CCC(O)C(=N)NN;XELZSWMZCFSMAV-UHFFFAOYSA-N;117.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111751;MM111751;CCC(O)C(=N)NO;XHJJTTVVAVZUCJ-UHFFFAOYSA-N;118.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111752;MM111752;CNC(=N)C(O)CN;RDEKSJWUUZEWGZ-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111753;MM111753;N=C(NO)C(O)CN;ZQISOBSNRBSCCM-UHFFFAOYSA-N;119.12;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111754;MM111754;CNC(=N)C(O)CO;AKORGCVFJVETTR-UHFFFAOYSA-N;118.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111755;MM111755;N=C(NN)C(O)CF;GJGZSUAHPVSOAM-UHFFFAOYSA-N;121.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111756;MM111756;CCC(O)C(=O)NC;DGQQIXATVKCUOG-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111757;MM111757;NC(=O)C=CN(N)C=NO;UWXYTDAIGPWMJB-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111758;MM111758;CCC(O)C(=O)NO;VODHXEQCWXPIDK-UHFFFAOYSA-N;119.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111759;MM111759;CNC(=O)C(O)CN;FGZKDJPYLCVDFZ-UHFFFAOYSA-N;118.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111760;MM111760;CNC(=O)C(O)CO;BWNITWOBUPEUTO-UHFFFAOYSA-N;119.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111761;MM111761;O=C(NO)C(O)CO;VHUSHGYHIDFBJH-UHFFFAOYSA-N;121.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111762;MM111762;CNC(=O)C(O)CF;ISWNLLSUMDRWLV-UHFFFAOYSA-N;121.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111763;MM111763;NNC(=O)C(O)CF;JBPLOUFTYWUIKD-UHFFFAOYSA-N;122.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111764;MM111764;O=C(NO)C(O)CF;NUNPDQPRTDJGPD-UHFFFAOYSA-N;123.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111765;MM111765;CCC(F)C(=N)NC;VGOKGIARMAWYKS-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111766;MM111766;CC(=NN)NC(=N)C=NO;IIWARGSYVMBCED-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111767;MM111767;CCC(F)C(=O)NC;XEFDSZAABKAVFK-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111768;MM111768;CCC(F)C(=O)NN;CSMUSUGSJYEBOW-UHFFFAOYSA-N;120.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111769;MM111769;CNC(=O)C(F)CO;RHPATCYQCNYVTN-UHFFFAOYSA-N;121.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111770;MM111770;O=C(NO)C(F)CF;DJFIJLMXOOLFPU-UHFFFAOYSA-N;125.07;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111771;MM111771;C=C(OC)C(C)CC;QUHFVAMHKJSXQF-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111772;MM111772;C=C(OC)C(C)CN;UKSQIPDCRTYYTG-UHFFFAOYSA-N;115.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111773;MM111773;C=C(OC)C(C)CO;SPCXVKKAHBOCSR-UHFFFAOYSA-N;116.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111774;MM111774;C=C(OC)C(C)CF;QDMRQYLMLBLUFW-UHFFFAOYSA-N;118.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111775;MM111775;CCC(C)C(=O)OC;OCWLYWIFNDCWRZ-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111776;MM111776;COC(=O)C(C)CN;BXGDNKQFNQZCLG-UHFFFAOYSA-N;117.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111777;MM111777;COC(=O)C(C)CF;MVSLCGCLCBQSAE-UHFFFAOYSA-N;120.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111778;MM111778;C=C(OC)C(N)CC;YEYJMEPXRXGKPW-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111779;MM111779;C=C(OC)C(N)CN;VZRIMJPFNISHEF-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111780;MM111780;C=C(OC)C(N)CO;UHMGUJYBKATZGW-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111781;MM111781;COC(=O)C(N)CN;WLXXVJOVQCQAMX-UHFFFAOYSA-N;118.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111782;MM111782;C=C(OC)C(O)CC;DFTUMDVKVQNPFM-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111783;MM111783;C=C(OC)C(O)CN;QQCWVAJJYWEPCV-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111784;MM111784;C=C(OC)C(O)CO;XGWQPVUNWCHFMB-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111785;MM111785;COC(=O)C(O)CN;LFVPHXOOLUCFFB-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111786;MM111786;COC(=O)C(O)CO;COFCNNXZXGCREM-UHFFFAOYSA-N;120.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111787;MM111787;C=C(OC)C(F)CC;NHLIDXPSCRYTFX-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111788;MM111788;C=C(CF)C(C)NC;DMHBKEGBPAMHJD-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111789;MM111789;CNC(=N)C(C)NC;CAMUGLZAZKIZTN-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111790;MM111790;CNC(C)C(=N)NN;WGGPIDYSFSRYBZ-UHFFFAOYSA-N;116.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111791;MM111791;CNC(C)C(=N)NO;MQFRJRVQIJAFFM-UHFFFAOYSA-N;117.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111792;MM111792;CNC(C)C(=O)NN;OIOJIKOJUVGDDA-UHFFFAOYSA-N;117.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111793;MM111793;C=C(CC)C(C)OC;SPAFVRHLEFVFNB-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111794;MM111794;C=C(CF)C(C)OC;OBPYGYICAGBCTD-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111795;MM111795;CCC(=O)C(C)OC;WLBNTABJGHRBQH-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111796;MM111796;C=NNC(C)=CC(C)=NO;WUHPHMQZSVPQHU-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111797;MM111797;COC(C)C(=O)NO;KNJNUKQIADGVFL-UHFFFAOYSA-N;119.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111798;MM111798;C=C(OC)C(C)OC;PWEGTYZQHKKLMN-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111799;MM111799;CCC(=N)N(C)CC;NNEUOQYFQKJZNI-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111800;MM111800;CCN(C)C(=N)CN;HVPDYMAHEKLBHP-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111801;MM111801;CCN(C)C(=N)CO;WZFLTDLWZWUNGV-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111802;MM111802;CCN(C)C(=O)CO;YQBATQJGAVWDDE-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111803;MM111803;CCN(C)C(=O)CF;DAGLWVMVLHOHQI-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111804;MM111804;NN(C=CNC=O)C=NO;WHBJYUVFVIPNBE-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111805;MM111805;CCN(C)C(=N)NN;KCLFCQDNLWRIDD-UHFFFAOYSA-N;116.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111806;MM111806;CCN(C)C(=N)NO;ZTXIXBXRRGJDCM-UHFFFAOYSA-N;117.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111807;MM111807;CCN(C)C(=O)NC;GGYRVEUCCUJDFK-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111808;MM111808;CN(O)C=NC(C#N)CF;CYDYTIAMZCORBG-UHFFFAOYSA-N;145.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111809;MM111809;CCN(C)C(=O)NO;QODOKZJGZHUOIG-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111810;MM111810;CCN(N)C(=N)NC;NBHRVKGPXIAKKL-UHFFFAOYSA-N;116.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111811;MM111811;CCN(N)C(=N)NO;ZJRKAJBNSAYKRA-UHFFFAOYSA-N;118.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111812;MM111812;C=NOCC(=N)NC=NO;NAQKHZPHOZPWFW-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111813;MM111813;CCN(O)C(=N)NN;CMXQRKYNBIFQDW-UHFFFAOYSA-N;118.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111814;MM111814;CCN(O)C(=O)NC;HZAHDSVINCWJNQ-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111815;MM111815;CCN(C)C(=O)OC;FUHWUVYVLXDPDH-UHFFFAOYSA-N;117.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111816;MM111816;CCC(=N)N(C)NC;HXDAELNRGSMIRZ-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111817;MM111817;CNN(C)C(=N)CN;JJQRRKDOSWECEZ-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111818;MM111818;CNN(C)C(=N)CO;LLQRYMPVMJTSFQ-UHFFFAOYSA-N;117.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111819;MM111819;CCC(=O)N(C)NC;SELRZTCZODWTBU-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111820;MM111820;CCC(F)C(=N)NC=NO;USYIAYKDNHBMDY-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111821;MM111821;CNC(=N)N(C)NC;NNURSAWJMXBPNS-UHFFFAOYSA-N;116.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111822;MM111822;CNN(C)C(=N)NN;YNWKEXWULJWFCL-UHFFFAOYSA-N;117.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111823;MM111823;CNN(C)C(=N)NO;ZWPAVDBPQZDHEC-UHFFFAOYSA-N;118.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111824;MM111824;CNN(C)C(=O)OC;MLXMUMMEJRXEEU-UHFFFAOYSA-N;118.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111825;MM111825;CON(C)C(=N)CN;UVQUPBWQEZKZDA-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111826;MM111826;CON(C)C(=N)CF;VMHHRJGDDOOSCX-UHFFFAOYSA-N;120.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111827;MM111827;CON(C)C(=O)CO;FMHHOIZBAJLSFX-UHFFFAOYSA-N;119.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111828;MM111828;C=CC(=C)C(C)CC;CYKGFGFLLTYYPJ-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111829;MM111829;C=C(C=O)C(C)CC;CQZLNEAXRRETST-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111830;MM111830;C=C(C#N)C(C)CC;CUXVPXHXNDIOQM-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111831;MM111831;C=CC(=C)C(C)CN;SJOUEIVIACZLGC-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111832;MM111832;CNC(C=CF)C(=O)C#N;GUKZZEWFBCHCFA-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111833;MM111833;C=CC(=C)C(C)CF;NWQNPMBFSKKGRD-UHFFFAOYSA-N;114.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111834;MM111834;C=C(C=O)C(C)CF;LGRGIMNANGPACY-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111835;MM111835;C=C(C#N)C(C)CF;MEHNWIGERPUWNJ-UHFFFAOYSA-N;113.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111836;MM111836;C=CC(=O)C(C)CC;PVBVVELBGISLBX-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111837;MM111837;CCC(C)C(=O)C=O;BJDVEYLUFYKDIQ-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111838;MM111838;CCC(C)C(=O)C#N;ALRYLFIORABRTO-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111839;MM111839;C=CC(=O)C(C)CF;KXNYXEZJLFMBKD-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111840;MM111840;C=CC(=C)C(N)CC;PAOXIQHCRFCWTP-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111841;MM111841;CCN=C(NO)C(O)C#N;VNJZCMOCTKWDJF-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111842;MM111842;C=C(C#N)C(O)CC;GNBXEADZDRRQQC-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111843;MM111843;C=C(C=O)C(O)CO;VHJLGVHOZWDXAE-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111844;MM111844;C=C(C#N)C(O)CO;FEWYSQBCAHPKBE-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111845;MM111845;C=CC(=C)C(O)CF;JUAFMWKEMCPLHN-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111846;MM111846;C=C(C=O)C(O)CF;IBJXYZUZJQZNQU-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111847;MM111847;C=C(C#N)C(O)CF;BJQHIGUIFWLPDE-UHFFFAOYSA-N;115.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111848;MM111848;C=CC(=O)C(O)CO;ZCCNAXDULRUKCJ-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111849;MM111849;O=CC(=O)C(O)CO;QIWGRQHMGMSMQJ-UHFFFAOYSA-N;118.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111850;MM111850;C=CC(=O)C(O)CF;OXIWTAZICDNCDC-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111851;MM111851;C=CC(=C)C(F)CC;OLOKMYLZFDCGRT-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111852;MM111852;C=C(C=O)C(F)CC;XWTCWVNSQJZLPA-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111853;MM111853;C=C(C#N)C(F)CC;QTTIIEOEGPMCAA-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111854;MM111854;C=C(C=O)C(F)CO;KHPYTLZBTQVGFY-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111855;MM111855;C=C(C=O)C(F)CF;CJNNVNFAGATJFX-UHFFFAOYSA-N;120.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111856;MM111856;C=C(C#N)C(F)CF;VUICIHUSRVIWLX-UHFFFAOYSA-N;117.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111857;MM111857;C=CC(=O)C(F)CC;YSTMJMKHEPWABP-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111858;MM111858;C=CC(=O)C(F)CO;AWUJFWWSBNXKOB-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111859;MM111859;C=CC(=C)C(C)OC;FATASRZAZJZHCM-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111860;MM111860;C=C(C=O)C(C)OC;BRAXARMLDKLPAI-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111861;MM111861;C=C(C#N)C(C)OC;PMSIIBZBCGFVMH-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111862;MM111862;C=CC(=O)C(C)OC;XMUCNSQNVDKUGR-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111863;MM111863;COC(C)C(=O)C#N;OOCBWSLWDQYKCM-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111864;MM111864;C=CC(=O)N(C)CC;ZOTWHNWBICCBPC-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111865;MM111865;CCN(C)C(=O)C#N;NYOXSCWUIRLXCB-UHFFFAOYSA-N;112.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111866;MM111866;C=CC(=N)N(O)CC;LGNPLHGHVKQRMT-UHFFFAOYSA-N;114.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111867;MM111867;C=CC(=N)N(C)NC;LLQBDIKVSAHUCU-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111868;MM111868;CNN(C)C(=N)C#N;HSJIIMAYWADIDN-UHFFFAOYSA-N;112.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111869;MM111869;C=CC(=O)N(C)NC;BUOPJJPNCXGUFU-UHFFFAOYSA-N;114.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111870;MM111870;CON(C)C(=N)C=O;NXURFADDLPYQRZ-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111871;MM111871;C=CC(=O)N(C)OC;IAAVEAHABZTBNK-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111872;MM111872;C#CC(=C)C(C)CC;RJWAJARXNAZYDI-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111873;MM111873;C#CC(=C)C(C)CN;XJACRRKSPWSBLM-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111874;MM111874;CN(C=O)C(=NN)NC=O;UERFORQSZGCNTH-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111875;MM111875;C#CC(=C)C(C)CF;JXNJPCKPLWIXCU-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111876;MM111876;C#CC(=O)C(C)CC;NRJZFWOUJJREBG-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111877;MM111877;C#CC(=C)C(N)CC;NZALZLNKCLNALF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111878;MM111878;C#CC(=C)C(N)CN;ZQENNUNLRBERTR-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111879;MM111879;C#CC(=C)C(N)CO;OKANGYMHQORCPN-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111880;MM111880;NN=C(NC=O)NNC=O;YCKLLCCZANLCNL-UHFFFAOYSA-N;145.12;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111881;MM111881;C#CC(=C)C(O)CN;OZRKUWGZQWFZHT-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111882;MM111882;C#CC(=C)C(O)CO;YCEMLIREXHPUGI-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111883;MM111883;C#CC(=O)C(O)CC;JCTKTLGTCCGXPS-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111884;MM111884;C#CC(=O)C(O)CO;NTNXTKUMFYCDMH-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111885;MM111885;C#CC(=C)C(F)CC;QRKJIMRNFIJCFH-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111886;MM111886;C#CC(=C)C(C)OC;VGQCTJCUBRMMBQ-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111887;MM111887;C#CC(=N)N(C)NC;VPPNSGOHMXUISR-UHFFFAOYSA-N;111.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111888;MM111888;C#CC(=O)N(C)NC;QXWJSSVOMKUZHX-UHFFFAOYSA-N;112.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111889;MM111889;C=CC(C)C(=C)CC;GLPRTGNWFINUKX-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111890;MM111890;C=CC(C)C(=C)CN;IBYAKHPIYUNSSJ-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111891;MM111891;C=CC(C)C(=C)CF;CIUFJEQEIGIMCT-UHFFFAOYSA-N;114.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111892;MM111892;C=C(CC)C(C)C=O;WHQOAMHSQJPPJN-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111893;MM111893;C=C(CC)C(C)C#N;BTTKVGIAGGEQCD-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111894;MM111894;C=C(CF)C(C)C=O;IOKOURYICSPACC-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111895;MM111895;C=CC(C)C(=O)CC;UAIRMCYTQWYTMW-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111896;MM111896;CC(C=O)C(=O)CO;CSEMKQMXZCMBHQ-UHFFFAOYSA-N;116.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111897;MM111897;C=CC(N)C(=C)CC;YBPNQJGSDRJAAZ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111898;MM111898;C=CC(N)C(=C)CN;CIRMULSCIWKOLV-UHFFFAOYSA-N;112.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111899;MM111899;C=CC(O)C(=C)CF;VWWZFRROROIPOT-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111900;MM111900;C=C(CC)C(O)C#N;SFBXQXZNCXZEJU-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111901;MM111901;C=C(CO)C(O)C#N;CHCSGFOBXCEDPI-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111902;MM111902;C=C(CF)C(O)C=O;DZROTOIYHOBXQY-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111903;MM111903;C=CC(O)C(=O)CF;XKEDDIFEQUCJJS-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111904;MM111904;CCC(=O)C(O)C=O;GHHQRUFNLVFZPQ-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111905;MM111905;O=CC(O)C(=O)CO;RAPYKXPBVBNJGC-UHFFFAOYSA-N;118.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111906;MM111906;N#CC(O)C(=O)CF;VZSHKIXTGZEOOB-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111907;MM111907;C=CC(F)C(=C)CC;WAZKWDLGSLHTJL-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111908;MM111908;C=CC(F)C(=C)CO;CMKZIWITMMFNLI-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111909;MM111909;C=C(CC)C(F)C=O;SEZYVDMPKRCYEM-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111910;MM111910;C=C(CC)C(F)C#N;RGHAOEUVNFOLJJ-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111911;MM111911;C=C(CO)C(F)C=O;GADSXPOBNHBUSB-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111912;MM111912;C=C(CF)C(F)C#N;SBHKSINKTZIEBF-UHFFFAOYSA-N;117.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111913;MM111913;C=CC(F)C(=O)CC;GRQBZDLUZFAERS-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111914;MM111914;C=CC(F)C(=O)CO;LRUOSOCIHGUVET-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111915;MM111915;CCC(=O)C(F)C#N;QTTWJJJGSXJIFJ-UHFFFAOYSA-N;115.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111916;MM111916;N#CC(F)C(=O)CO;PODDVCRSJQRWRW-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111917;MM111917;N#CC(F)C(=O)CF;ZZWMUUPIMGEJNK-UHFFFAOYSA-N;119.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111918;MM111918;C=CC(C)C(=N)NC;JUPIYLUROGQOIX-UHFFFAOYSA-N;112.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111919;MM111919;C=CC(C)C(=N)NO;AEBYWVPUQOFNBY-UHFFFAOYSA-N;114.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111920;MM111920;C=CC(C)C(=O)NC;YCRMJXAYZLFVFN-UHFFFAOYSA-N;113.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111921;MM111921;CNC(=O)C(C)C=O;MRAOTYGFXKOHMH-UHFFFAOYSA-N;115.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111922;MM111922;CC(C=O)C(=O)NO;ZPTYIGWTAXAEIN-UHFFFAOYSA-N;117.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111923;MM111923;C=CC(N)C(=N)NC;TZXWQPXTRQXAFQ-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111924;MM111924;C=CC(O)C(=N)NN;NTXVMGQPQFLMQX-UHFFFAOYSA-N;115.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111925;MM111925;CN=C(N)C(O)C=O;YXIOYZFGRDBXIR-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111926;MM111926;C#CCC1=CNC(=O)C1=N;DZTFRWCQZRHHJV-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111927;MM111927;C=CC(O)C(=O)NO;HJMMVAGKEFLBJY-UHFFFAOYSA-N;117.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111928;MM111928;CNC(=O)C(O)C=O;VOBZUSSJIHHBPC-UHFFFAOYSA-N;117.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111929;MM111929;O=CC(O)C(=O)NO;KSKPMABGUVHPAZ-UHFFFAOYSA-N;119.08;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111930;MM111930;CNC(=O)C(F)C#N;OOMLSCALFYGHLN-UHFFFAOYSA-N;116.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111931;MM111931;C=CC(C)C(=C)OC;GPTTUAUEGDAGRP-UHFFFAOYSA-N;112.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111932;MM111932;C=C(OC)C(C)C=O;KOPGDUUXZVGZFM-UHFFFAOYSA-N;114.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111933;MM111933;C=CC(C)C(=O)OC;MXUWGYXCKWBYRH-UHFFFAOYSA-N;114.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111934;MM111934;COC(=O)C(C)C=O;HWYJZXYVLPKDLM-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111935;MM111935;C=C(OC)C(O)C=O;FMDKJKCFODFJQG-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111936;MM111936;C=C(OC)C(F)C=O;NZOYEWRTSNXFBS-UHFFFAOYSA-N;118.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111937;MM111937;C=C(OC)C(F)C#N;HQTCBNVZWTTWQB-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111938;MM111938;C=C(CC)N(C)C=N;JOKQGMFDCAKXFE-UHFFFAOYSA-N;112.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111939;MM111939;C=C(CN)N(C)C=N;GUTXUWGXDBHGNJ-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111940;MM111940;C=C(CC)N(C)C=O;MTRZIWVEBGMIFE-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111941;MM111941;C=C(CN)N(C)C=O;JMSLAVASUJTZIO-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111942;MM111942;C=CN(C)C(=N)CN;MBOYLHLIQUTMFW-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111943;MM111943;C=CN(C)C(=N)CO;SDRRPJVXPKNURP-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111944;MM111944;CN(C=N)C(=N)CN;ROLPCFSVBXWMTP-UHFFFAOYSA-N;114.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111945;MM111945;CN(C=N)C(=N)CF;FTRVNSWHRFJEQL-UHFFFAOYSA-N;117.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111946;MM111946;CCC(=N)N(C)C=O;BYDAXDQZQAWCDN-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111947;MM111947;C=NNCC(=C)C=NO;UQDKGWCKMHTXOG-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111948;MM111948;C=CN(C)C(=O)CC;DSENQNLOVPYEKP-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111949;MM111949;CCC(=O)N(C)C=N;PJZXGHZVIOZQDW-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111950;MM111950;CNN=CN(N)C=NO;FVTQESOUQQPMIA-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111951;MM111951;CN(C=O)C(=O)CO;VTYCUWJCVLICAZ-UHFFFAOYSA-N;117.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111952;MM111952;C=C(CO)N(N)C=N;NRFHMOUNOQBDQD-UHFFFAOYSA-N;115.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111953;MM111953;C=CCN(C=NO)N=C;YCXSXUPPXNAEKO-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111954;MM111954;C=C(CF)N(N)C=O;VWYRQAGBERWBNB-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111955;MM111955;CCC(=N)N(N)C=N;STJRCEIONFJLTC-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111956;MM111956;CCC(=N)N(N)C=O;QEFIKODXLXBTIE-UHFFFAOYSA-N;115.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111957;MM111957;N=C1NC(=O)C(N)=C1N;NBVHHLYXHJSRFM-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111958;MM111958;N=C(CF)N(N)C=O;UPFSVAKDPXLTTC-UHFFFAOYSA-N;119.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111959;MM111959;CC1=NC(=NO)CN1C;GLQZJWYZIXPYKS-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111960;MM111960;CCC(=O)N(N)C=N;GVPOVRMMLYAGFT-UHFFFAOYSA-N;115.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111961;MM111961;COc1cn(O)c(N)n1;AXVACWJNGVIDRU-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111962;MM111962;C#CC1CCC(=NO)N1;DRZKZSUDFYRXJP-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111963;MM111963;CCC(=O)N(N)C=O;QFBQGRHPHPEZKV-UHFFFAOYSA-N;116.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111964;MM111964;CNC1=NOC(C=O)O1;SOLXWAIYJDTGBN-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111965;MM111965;C=C(CC)N(O)C=N;RJKKDBHPWZLZGW-UHFFFAOYSA-N;114.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111966;MM111966;C=C(CN)N(O)C=N;PMACOTTVQNWXFS-UHFFFAOYSA-N;115.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111967;MM111967;C=C(CO)N(O)C=O;XNBAJTGUYGIISZ-UHFFFAOYSA-N;117.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111968;MM111968;C=C(CF)N(O)C=O;OLVDLDWPQQJZDH-UHFFFAOYSA-N;119.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111969;MM111969;C=CN(O)C(=N)CN;AMOQQZLMYOSDFV-UHFFFAOYSA-N;115.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111970;MM111970;C=CN(O)C(=O)CO;UOWHMNVZLDMTSU-UHFFFAOYSA-N;117.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111971;MM111971;C=CN(C)C(=N)NN;ABXIOEKWPOZQKM-UHFFFAOYSA-N;114.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111972;MM111972;C=CN(C)C(=N)NO;JNAYXGTUDIHHON-UHFFFAOYSA-N;115.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111973;MM111973;CN(C=N)C(=N)NN;SXXDNMPBGFMYSP-UHFFFAOYSA-N;115.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111974;MM111974;CNC(=N)N(C)C=O;MYNBSMBHYKMSAZ-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111975;MM111975;CN(C=O)C(=N)NN;YJAMEWVUVKZICF-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111976;MM111976;CC(=N)NC(=O)C(=N)NO;CLRQGPHIHUVVJW-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111977;MM111977;C=CN(C)C(=O)NO;CTYGCYLQXZEILG-UHFFFAOYSA-N;116.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111978;MM111978;CNC(=O)N(C)C=O;WTZLVRRJAPGJEK-UHFFFAOYSA-N;116.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111979;MM111979;C=CNC(C)=NN=CC#N;UGMREZYWKDKIKI-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111980;MM111980;C=CN(N)C(=N)NC;YRFYHZQPJUYXAM-UHFFFAOYSA-N;114.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111981;MM111981;C=CN(N)C(=N)NN;RXUHNNSVJSRMER-UHFFFAOYSA-N;115.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111982;MM111982;C=CN(N)C(=N)NO;NQMABENXRCWDRM-UHFFFAOYSA-N;116.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111983;MM111983;N=CN(N)C(=N)NN;QWUHJVXVQGQEAV-UHFFFAOYSA-N;116.13;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111984;MM111984;N=CN(N)C(=N)NO;BDYJTIAWNFZDNY-UHFFFAOYSA-N;117.11;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111985;MM111985;CNC(=N)N(N)C=O;JDTIOVPXLRXJHT-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111986;MM111986;N=C(NN)N(N)C=O;PDMBKLUVEGBNJK-UHFFFAOYSA-N;117.11;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111987;MM111987;C#CCN(N)C(=N)C=NO;OMWSVNNMUPWVOP-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111988;MM111988;CC(=NN=CC#N)N(C)C;NNURSJCYZBYXJH-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111989;MM111989;CC1(C=O)CCC(=NO)N1;OAAKGNOHSXKDJI-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111990;MM111990;COC(C)OC(=NO)NN;SFAICXKGIVDJPO-UHFFFAOYSA-N;149.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111991;MM111991;N=CN(N)C(=O)NO;NRNHLUBPDSOVLN-UHFFFAOYSA-N;118.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111992;MM111992;O=C(CF)CNNC=NO;DMBJCBCOALWUMF-UHFFFAOYSA-N;149.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111993;MM111993;NNC(=O)N(N)C=O;ANSIQZIXIAIZBK-UHFFFAOYSA-N;118.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111994;MM111994;NN(C=O)C(=O)NO;INTVGQHWISKWGI-UHFFFAOYSA-N;119.08;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111995;MM111995;C=CN(O)C(=N)NN;DCEGRHXETCJLMU-UHFFFAOYSA-N;116.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111996;MM111996;C=CN(O)C(=N)NO;HYWDUZMLAROMST-UHFFFAOYSA-N;117.11;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111997;MM111997;C=CN(O)C(=O)NO;YJLPRVFOJGIAMH-UHFFFAOYSA-N;118.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111998;MM111998;CNC(=O)N(O)C=N;ONRQGUFWZHPLDV-UHFFFAOYSA-N;117.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM111999;MM111999;N=CN(O)C(=O)NN;WJFBIXSWCHWJDB-UHFFFAOYSA-N;118.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112000;MM112000;COC(=N)N(C)C=O;IWRRUBFATNGXDH-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112001;MM112001;COC(=O)N(C)C=N;LOASYKJYXRINHL-UHFFFAOYSA-N;116.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112002;MM112002;COC(=N)N(N)C=O;NXCXYFXRUIYRNI-UHFFFAOYSA-N;117.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112003;MM112003;COC(=O)N(N)C=N;YAMAMRHLVWINCK-UHFFFAOYSA-N;117.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112004;MM112004;CNN(C=NO)C(C)C#N;SLYCCDCSFRSSIF-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112005;MM112005;C=NNC(=NN)NC=NO;KUDYUCHNUIHEGY-UHFFFAOYSA-N;144.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112006;MM112006;CCC(=NO)NNCC#N;BZBRDBQBHVKTSR-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112007;MM112007;C=NN(C)C(=N)NC;RBHQPWKBZZXKIH-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112008;MM112008;C=NN(C)C(=N)OC;VKFKPHFBBWEMBO-UHFFFAOYSA-N;115.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112009;MM112009;C=NN(C)C(=O)OC;FTUPDCDWHROSFZ-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112010;MM112010;C=CC(=C)C(C)C=C;XHLWRWAEHPMECN-UHFFFAOYSA-N;108.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112011;MM112011;C=CC(C)C(=C)C#N;VIFUKQCINGUSOP-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112012;MM112012;C=CC(=C)C(C)C=O;FQVRGPVPOSEQFQ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112013;MM112013;C=CC(=C)C(C)C#N;QMHJAOQFONMPFG-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112014;MM112014;C=C(C#N)C(C)C=O;GZTYSFKOSXXWQP-UHFFFAOYSA-N;109.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112015;MM112015;C=CC(=C)C(N)C=C;IHOOSDJIRXHBDA-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112016;MM112016;CNC(=NO)N(C)C=NO;ZFHXDUVGFKGDHQ-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112017;MM112017;C=C(CC)CC(C#N)=NO;SWAVZSKVOVIYFX-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112018;MM112018;C=CC(=C)C(F)C=C;RHKKXGQKSNMFPG-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112019;MM112019;C=CC(F)C(=C)C=O;GYAFBXSBJJYVHK-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112020;MM112020;C=CC(F)C(=C)C#N;GBQRXBJZKGTPNZ-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112021;MM112021;C=CC(=C)C(F)C=O;DCENJOMBAOLQEL-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112022;MM112022;C=CC(=C)C(F)C#N;IFRYMZIYJFRRJF-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112023;MM112023;C=C(C#N)C(F)C#N;LKQVFJOYOLHGKL-UHFFFAOYSA-N;110.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112024;MM112024;C=CC(=O)C(F)C=C;PTBRPKXPZMEPBT-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112025;MM112025;C=CC(=C)N(C)C=N;UOQVMCJSPQGLHV-UHFFFAOYSA-N;110.16;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112026;MM112026;CN(C=O)C(=N)C#N;RRYRIRPHOZYYJW-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112027;MM112027;CN(C=O)C(=O)C=O;HEVKHJMKQFJBOE-UHFFFAOYSA-N;115.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112028;MM112028;C=CC(=C)N(N)C=O;UNIDTHIPMBFVAO-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112029;MM112029;C=CC(=N)N(N)C=N;FEEMYUZIHILEMS-UHFFFAOYSA-N;112.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112030;MM112030;C=CC(=N)N(N)C=O;HEJDJAOXAVHRIK-UHFFFAOYSA-N;113.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112031;MM112031;C=CC(=O)N(N)C=N;UUPSOXXRGJVJBU-UHFFFAOYSA-N;113.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112032;MM112032;C=CC(=C)N(O)C=O;BIWBRMJYKGLFET-UHFFFAOYSA-N;113.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112033;MM112033;C=CC(=O)N(C)N=C;CAXTWAUTLNVMST-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112034;MM112034;C#CC(=C)C(C)C=C;WAQFPXSBERDHGT-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112035;MM112035;C#CC(=C)C(C)C=O;YIJUFJRVZOWKRK-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112036;MM112036;C#CC(=O)C(C)C=C;IWQHDXFGRPXIGZ-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112037;MM112037;C#CC(=C)C(N)C=C;ZXDKQLMTAXGPMY-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112038;MM112038;C#CC(=C)C(F)C=C;FCWSKOHLFFNLAL-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112039;MM112039;C#CC(=C)C(F)C#N;UVRPSRHPJPUCMW-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112040;MM112040;C#CC(=O)C(F)C=C;SQXQPTSAVUWQMM-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112041;MM112041;C#CC(=O)N(C)C=O;YVBICJZSMJJXEI-UHFFFAOYSA-N;111.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112042;MM112042;C#CC(=N)N(N)C=O;IFRYOZSNJQEPRU-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112043;MM112043;C#CC(=O)N(N)C=O;CZOXCDNWUJAPGD-UHFFFAOYSA-N;112.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112044;MM112044;C#CC(C)C(=C)CC;QQANXGSEEISVOI-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112045;MM112045;C#CC(C)C(=C)CN;NDTURMVXSSPFDQ-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112046;MM112046;C#CC(C)C(=C)CF;CTXJFUYHTLQYBP-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112047;MM112047;C#CC(C)C(=O)CC;FMRZFFUYFGJCBE-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112048;MM112048;C#CC(C)C(=O)CF;GQRWDEXRBLAJMK-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112049;MM112049;C#CC(N)C(=C)CC;MDODPHDUVNTHQG-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112050;MM112050;C#CC(N)C(=C)CN;ILQSAHKXHLJZOL-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112051;MM112051;C#CC(O)C(=C)CC;DJVAPIVFVBPMFR-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112052;MM112052;C#CC(O)C(=C)CN;JQSNESVYJINTAV-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112053;MM112053;C#CC(O)C(=O)CO;XCKLLLOASOAJKO-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112054;MM112054;C#CC(F)C(=C)CC;DZWIPXFPXOUNAT-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112055;MM112055;C#CC(F)C(=C)CF;FURZZRNUFCPFIN-UHFFFAOYSA-N;116.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112056;MM112056;C#CC(F)C(=O)CC;WEHBIQQSIQFZJM-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112057;MM112057;C#CC(F)C(=O)CF;WUMVWOCSEYKTAL-UHFFFAOYSA-N;118.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112058;MM112058;C#CCC1=NNC(=NC)C1;NRQGBQXXUUHBFM-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112059;MM112059;C#CC(C)C(=O)NO;JWJWXMABMRMKJB-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112060;MM112060;C#CC(O)C(=O)NC;ZYLKDROFWYVRKN-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112061;MM112061;C#CC(F)C(=O)NN;ZBAZGFLWVXXJIM-UHFFFAOYSA-N;116.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112062;MM112062;C#CC(F)C(=O)NO;MQTANWYCTRRRRP-UHFFFAOYSA-N;117.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112063;MM112063;C#CC(C)C(=C)OC;VJYUMSZGBVRYOG-UHFFFAOYSA-N;110.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112064;MM112064;C#CC(C)C(=O)OC;IXLXCUWRPMTLOH-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112065;MM112065;C#CC(F)C(=C)OC;UQYIHFRBTKDRMK-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112066;MM112066;C#CC(C)C(=C)C=C;HWVISYGKOUYYBM-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112067;MM112067;C#CC(C)C(=C)C=O;SLRLDFYWDXABBK-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112068;MM112068;C#CC(C)C(=C)C#N;VMSXTODKFKNMPZ-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112069;MM112069;C#CC(C)C(=O)C=C;YNYKGSMRBSOUKO-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112070;MM112070;C#CC(C)C(=O)C#N;RRPFUPMRCGBAGB-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112071;MM112071;C#CC(F)C(=C)C=C;UJIFZGYUSCLPPY-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112072;MM112072;C#CC(F)C(=C)C=O;QYXDQZMTMCUSOM-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112073;MM112073;C#CC(F)C(=C)C#N;VFVRNRIJEQVMCQ-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112074;MM112074;C#CC(F)C(=O)C=C;LXSRQWPTUXXFCW-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112075;MM112075;C#CC(=C)C(C)C#C;IXLHJUKJIREXIH-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112076;MM112076;C#CC(=O)C(C)C#C;XNWPVUHCVGWIGO-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112077;MM112077;C#CC(=C)C(F)C#C;XXFCEIPSDYTCMD-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112078;MM112078;C=C(CC)C(=C)CC;OAOZZYBUAWEDRA-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112079;MM112079;C=C(CC)C(=C)CN;MXJUGDGPXKPTCI-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112080;MM112080;C=C(CC)C(=C)CO;STUIZZQYQZERIY-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112081;MM112081;C=C(CC)C(=C)CF;FFRLCBHVXNIIFG-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112082;MM112082;C=C(CN)C(=C)CO;NNAYBNLTPFAXPO-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112083;MM112083;C=C(CF)C(=C)CF;HRALIPINFZSHGX-UHFFFAOYSA-N;118.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112084;MM112084;C=C(CC)C(=O)CC;WNKMCRYLXHOCNN-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112085;MM112085;C=C(CC)C(=O)CF;OZQKECAMQYVJAS-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112086;MM112086;C=C(CO)C(=O)CF;XZUKHHSMWYMKBP-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112087;MM112087;C=C(CF)C(=O)CC;LEMRFTQKPMPFGK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112088;MM112088;C=C(CF)C(=O)CO;CNVVSCRURWIVLN-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112089;MM112089;CCC(=O)C(=O)CC;KVFQMAZOBTXCAZ-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112090;MM112090;CCC(=O)C(=O)CO;OWPMTLFDYNXRHF-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112091;MM112091;CCC(=O)C(=O)CF;RNXSONQMYLNYQW-UHFFFAOYSA-N;118.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112092;MM112092;O=C(CO)C(=O)CO;GJCZUCLKDGABDS-UHFFFAOYSA-N;118.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112093;MM112093;C=C(CC)C(=N)NC;GJTZBQDHUCUOQK-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112094;MM112094;C=C(CC)C(=N)NN;USXBJGCIVBOUCJ-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112095;MM112095;C=C(CC)C(=N)NO;LXKKFUFIILQNDX-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112096;MM112096;C=C(CN)C(=N)NO;PZZDVFPXLZBEJH-UHFFFAOYSA-N;115.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112097;MM112097;C=C(CO)C(=N)NC;GHNUOVCBDNBMOF-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112098;MM112098;C=C(CO)C(=N)NN;GYLNNEIWBCYUSP-UHFFFAOYSA-N;115.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112099;MM112099;C=C(CO)C(=N)NO;HRYHMUCZOMDQOC-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112100;MM112100;N=C(NC=O)NC=O;VSMWEKKXPSZRIQ-UHFFFAOYSA-N;115.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112101;MM112101;C=C(CN)C(=O)NC;TWOZXMSCRXBXMF-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112102;MM112102;CN(C)C=NN=CC#N;XISGHZOQEPVYNL-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112103;MM112103;C=C(CO)C(=O)NO;DZUNAPRTAPLVIM-UHFFFAOYSA-N;117.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112104;MM112104;C=C(CF)C(=O)NO;XBEYIGLWRDIUJZ-UHFFFAOYSA-N;119.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112105;MM112105;N=C(N)C(=O)ONC=O;XHUJSBHBOTUIOS-UHFFFAOYSA-N;131.09;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112106;MM112106;NC(=NO)C(=O)CO;HDSWWAYMKKMKMG-UHFFFAOYSA-N;118.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112107;MM112107;Nc1[nH]c(CO)nc1O;YRZMJORBVBPXOH-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112108;MM112108;NC(=NO)C(=O)CF;OELFWZSXYBGPDP-UHFFFAOYSA-N;120.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112109;MM112109;CCC(=O)C(=O)NC;JXDNHMGZNNAVOM-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112110;MM112110;C=C(CC)C(=C)OC;JFBZAUXCIFXDGO-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112111;MM112111;C=C(CO)C(=C)OC;YJYKUTQJNSAQOW-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112112;MM112112;C=C(CF)C(=C)OC;SHRZTVJZSUKDPR-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112113;MM112113;C=C(CC)C(=O)OC;JKJJSJJGBZXUQV-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112114;MM112114;C=C(CN)C(=O)OC;FLTSDVDXFCUAKU-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112115;MM112115;C=C(CO)C(=O)OC;RFUCOAQWQVDBEU-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112116;MM112116;C=C(CF)C(=O)OC;PLSKNODLIOHGLK-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112117;MM112117;C=C(OC)C(=O)CC;JHCAVUPXPIUUMF-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112118;MM112118;COC(=O)C(=O)CO;UIIHTNALERPNMH-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112119;MM112119;CNC(=O)C(=O)NN;MMGQHUVSVCDSBI-UHFFFAOYSA-N;117.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112120;MM112120;C#CC1CNC(=NO)C1;GOKSJASMNDBQES-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112121;MM112121;C=C(OC)C(=C)OC;NHBDKDZHQKQPTF-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112122;MM112122;C=CC(=C)C(=C)CC;GXIMWEOQOOJXAA-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112123;MM112123;C=C(C=O)C(=C)CC;CTSSYGBVZIBWIF-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112124;MM112124;C=C(C#N)C(=C)CC;WCLOKYOJIXOSRD-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112125;MM112125;C=CC(=C)C(=C)CN;PMWWMEGVPUYBPI-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112126;MM112126;CN(C)CC(O)(C#N)CO;CRWKMNKSFIZOGL-UHFFFAOYSA-N;144.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112127;MM112127;C=CC(=C)C(=C)CF;VQMOUSQCYUOBBK-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112128;MM112128;C=C(C=O)C(=C)CF;QEOLVFWRAIQAFM-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112129;MM112129;C=C(C#N)C(=C)CF;GEUMVYHSQORDFQ-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112130;MM112130;C=CC(=O)C(=C)CC;CJOVEVFPKYVVJR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112131;MM112131;C=C(CC)C(=O)C=O;NQVLDXFAFXXEIE-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112132;MM112132;C=CC(=O)C(=C)CF;WQMVBNYJJWXFIT-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112133;MM112133;C=C(C=O)C(=O)CC;XJOUAWDQHUGYMX-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112134;MM112134;C=CC(=C)C(=O)CF;VCWMRPKZEUSSNT-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112135;MM112135;CCC(=O)C(=O)C=O;IPHREVVCPNNUEQ-UHFFFAOYSA-N;114.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112136;MM112136;CCC(=O)C(=O)C#N;QPWNJFQAEXXXRY-UHFFFAOYSA-N;111.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112137;MM112137;C=CC(=O)C(=O)CO;WXOUHZKUTNRYSA-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112138;MM112138;O=CC(=O)C(=O)CO;XSEYITBSKRUSNL-UHFFFAOYSA-N;116.07;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112139;MM112139;N#CC(=O)C(=O)CF;LMMJLRLRKHOBMH-UHFFFAOYSA-N;115.06;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112140;MM112140;C=CC(=O)C(N)=NO;VDZLNYGBIMBMCE-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112141;MM112141;NC(=NO)C(=O)C=O;BHMJUOLPBFDIKF-UHFFFAOYSA-N;116.08;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112142;MM112142;N=CNC(=O)NC(=O)CO;JEJXEKGGWHBSAQ-UHFFFAOYSA-N;145.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112143;MM112143;C=CC(=C)C(=O)NO;XHMVIECYDHUIQS-UHFFFAOYSA-N;113.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112144;MM112144;CNC(=O)C(=O)C=O;APUBCEFUXOJGLR-UHFFFAOYSA-N;115.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112145;MM112145;C=CC(=C)C(=C)OC;HRAOOLOZDORIKE-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112146;MM112146;C=C(C=O)C(=C)OC;BDPYJTOXYJZQQE-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112147;MM112147;C=C(C#N)C(=C)OC;INDIJRSWDZONIK-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112148;MM112148;C=CC(=O)C(=C)OC;NQWXLBQXPDLAPZ-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112149;MM112149;C=CC(=C)C(=O)OC;IZMIZHOXXIHQIY-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112150;MM112150;C=C(C=O)C(=O)OC;IZWSCRKLEWZKCI-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112151;MM112151;C=C(C#N)C(=O)OC;MWCLLHOVUTZFKS-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112152;MM112152;C=CC(=O)C(=O)OC;SOWRLHQNTLIORS-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112153;MM112153;C#CC(=C)C(=C)CC;VYESDMDKNFBOAR-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112154;MM112154;C#CC(=C)C(=C)CN;AIDBDNYQGUTBQC-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112155;MM112155;C#CC(=C)C(=C)CF;AEYZYLHXEDLIQZ-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112156;MM112156;C#CC(=O)C(=C)CC;QDTWPMAEULHILH-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112157;MM112157;C#CC(=O)C(=C)CF;VLPSNQZHNNMLCI-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112158;MM112158;C#CC(=C)C(=O)CC;UWIFUGPKGPDLOK-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112159;MM112159;C#CC(=C)C(=O)CF;DKTOIFSBFZQNNE-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112160;MM112160;C#CC(=O)C(=O)CO;ZJZZKBWFEZUGBP-UHFFFAOYSA-N;112.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112161;MM112161;C#CC(=C)C(=C)OC;LUXTZFRJVYXWHO-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112162;MM112162;C=CC(=C)C(=C)C=C;DMCINEDFOKMBFI-UHFFFAOYSA-N;106.17;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112163;MM112163;C=CC(=C)C(=C)C=O;BTRYTBHZACGCAH-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112164;MM112164;C=CC(=C)C(=C)C#N;YZKCJPVASKMMKH-UHFFFAOYSA-N;105.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112165;MM112165;C=C(C#N)C(=C)C#N;FYDACBOZTMGMJN-UHFFFAOYSA-N;104.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112166;MM112166;C=CC(=C)C(=O)C=C;JGVMVCGHRNBBSR-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112167;MM112167;C=C(C#N)C(=O)C#N;JSVLSPIERCQXBG-UHFFFAOYSA-N;106.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112168;MM112168;C=CC(=O)C(=O)C#N;RQDJFFBCLBTYCA-UHFFFAOYSA-N;109.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112169;MM112169;O=CC(=O)C(=O)C=O;OURVMEXCDVXLPR-UHFFFAOYSA-N;114.06;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112170;MM112170;C#CC(=C)C(=C)C=C;FLQIPZPOMBRHDZ-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112171;MM112171;C#CC(=C)C(=C)C=O;QIEQTOZUEXTHOR-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112172;MM112172;C#CC(=C)C(=C)C#N;HKRPSKGQRZUKIE-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112173;MM112173;C#CC(=O)C(=C)C=C;AJBCXOCATSPKGB-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112174;MM112174;C#CC(=O)C(=C)C#N;HQZNLIVOIGNHIS-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112175;MM112175;C#CC(=C)C(=O)C=C;LYZQMWWVRPXODR-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112176;MM112176;C#CC(=C)C(=O)C#N;DLDLSQVIZUUPOQ-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112177;MM112177;C#CC(=O)C(=O)C=C;DXGOLMJWDVYFAJ-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112178;MM112178;C#CC(=C)C(=C)C#C;BFQFYUVUMXEZRZ-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112179;MM112179;CC=C(C)C(C)CC;FMNLVKMLDPGPRY-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112180;MM112180;CCC(C)C(C)=CF;NUFYECVBIRMALT-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112181;MM112181;CC=C(C)C(C)CN;VKEOVCNUFPZZOE-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112182;MM112182;NNC(=NC(N)=O)NC=O;KIXBISZCCFFOFC-UHFFFAOYSA-N;145.12;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112183;MM112183;CC(=CF)C(C)CO;PXHGDQFVDLEQDM-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112184;MM112184;CC=C(C)C(C)CF;CYRFOAIIAAJDSD-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112185;MM112185;CC(=CF)C(C)CF;RZSQNJXRVSVYQM-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112186;MM112186;CC=C(F)C(C)CC;ZNHLDLZVAUHEGL-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112187;MM112187;CCC(C)C(F)=CF;ZFHIIMUAJYKWEQ-UHFFFAOYSA-N;120.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112188;MM112188;CC=C(F)C(C)CN;PTNPHYWGMBBYLR-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112189;MM112189;CC=C(F)C(C)CO;WVSNLRIPRPCTKY-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112190;MM112190;CC=C(F)C(C)CF;NYAMSKSOOYYVDW-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112191;MM112191;CC(CF)C(F)=CF;ZCNPTNWWQIRHJL-UHFFFAOYSA-N;124.11;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112192;MM112192;CC=C(C)C(N)CC;TWGDVXMRTXSQEJ-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112193;MM112193;CCC(N)C(C)=CF;MBRJAHGGGNWQCA-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112194;MM112194;CC(=CF)C(N)CN;FPCUUWTUSKPLCB-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112195;MM112195;CC=C(C)C(N)CF;PJHHRFNRLXTNAM-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112196;MM112196;CC=C(F)C(N)CC;BXOLWTWDLARSFX-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112197;MM112197;CC=C(F)C(N)CN;RDBUEOYAKZZZSR-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112198;MM112198;NCC(N)C(F)=CF;DJALUXBCVVBBPM-UHFFFAOYSA-N;122.12;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112199;MM112199;CN(C=NO)N=CC=CN;JRGFPXUCTIPXDA-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112200;MM112200;CC=C(F)C(O)CC;LDBZINGYSMXGKD-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112201;MM112201;NCC(O)C(F)=CF;BVIHLAZATOMNEF-UHFFFAOYSA-N;123.1;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112202;MM112202;CC=C(F)C(O)CO;KNXROJVYJHZFKM-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112203;MM112203;OCC(O)C(F)=CF;YQTYAVYFNBDEMQ-UHFFFAOYSA-N;124.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112204;MM112204;OC(CF)C(F)=CF;VSZDOBXKGQKZMV-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112205;MM112205;CC=C(C)C(F)CC;JTPRYYZOMCXLAK-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112206;MM112206;CCC(F)C(C)=CF;ICVCEILQNXVBQH-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112207;MM112207;CC(=CF)C(F)CF;YRBQKBPMCAYCSL-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112208;MM112208;CC=C(F)C(F)CC;CUQMJRDPRAEHFM-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112209;MM112209;CC=C(F)C(F)CN;CKEBRSZVVMGYJR-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112210;MM112210;NCC(F)C(F)=CF;VUKXPTXWARYBHL-UHFFFAOYSA-N;125.09;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112211;MM112211;OCC(F)C(F)=CF;GNAXQMKCPINGNU-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112212;MM112212;CCC(C)C(C)=NN;UCRNXUUSNSROQE-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112213;MM112213;CCC(C)C(C)=NO;UBVVMIGCFGLFOZ-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112214;MM112214;CC(=NN)C(C)CF;CNRXDBCPOLUGIU-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112215;MM112215;CC(=NO)C(C)CF;JQQBDYSBLMUGEX-UHFFFAOYSA-N;119.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112216;MM112216;CCC(O)C(C)=NO;RTKQQXIIGXNJBY-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112217;MM112217;CNN=C(C=NO)NNC;FAQZWRMRXVXTOD-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112218;MM112218;C=C(C)N(C=NN)C=NO;NAUVLTSOLREIJF-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112219;MM112219;CCC(F)C(C)=NN;RLVPPHKWJHSSEW-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112220;MM112220;CCN(C)C=NN=CC#N;UFJJINCSYIWIIV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112221;MM112221;CC=C(C)C(C)NC;XKYHKOLELCXUBQ-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112222;MM112222;CC=C(C)C(C)OC;WQXHKVJDDGDNAI-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112223;MM112223;COC(C)C(C)=CF;NLDYYHWTEYFVDU-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112224;MM112224;CC=C(F)C(C)OC;JFLSPHKCZLVGDJ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112225;MM112225;COC(C)C(F)=CF;XEWSHRDOHATTBU-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112226;MM112226;CCN(C)C(C)=NC;ZVAVERLRJBGVRE-UHFFFAOYSA-N;114.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112227;MM112227;CCN(N)C(C)=NC;MJQLLAJDNPJCPK-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112228;MM112228;CN=C(C)N(C)OC;UPBDJQFYLGSZHV-UHFFFAOYSA-N;116.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112229;MM112229;C=CC(C)C(C)=CC;CKLQBAJUOASUGX-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112230;MM112230;C=CC(C)C(C)=CF;SJVKNGSCXGWXNF-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112231;MM112231;CC=C(C)C(C)C=O;AIIKMMMSOHIJNB-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112232;MM112232;CC=C(C)C(C)C#N;PQYDLBXAIXQUMJ-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112233;MM112233;CC(=CF)C(C)C=O;MTBUAUKAASHSCQ-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112234;MM112234;CC(=CF)C(C)C#N;JATZWJMSDNCCIM-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112235;MM112235;C=CC(C)C(F)=CC;VMNHHDLTHMWKOR-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112236;MM112236;C=CC(C)C(F)=CF;BKKIRPVUQIXUMU-UHFFFAOYSA-N;118.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112237;MM112237;CC=C(F)C(C)C=O;PREWGYYUERUOAK-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112238;MM112238;CC=C(F)C(C)C#N;LPQCZHDQDVKAAU-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112239;MM112239;C=CC(N)C(C)=CC;FJUMYGJEBLJNIY-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112240;MM112240;C=CN(C)C=NN=CC#N;RDQSRDDSNYTOHX-UHFFFAOYSA-N;136.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112241;MM112241;CC=C(C)C(O)C#N;NSFFWOOKXGTJRP-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112242;MM112242;CC(=CF)C(O)C=O;YXPDYSWRBDHRRL-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112243;MM112243;C=CC(O)C(F)=CC;LSPCTPFFFCBRKI-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112244;MM112244;CC=C(F)C(O)C#N;OWTMDFCZLRGBOF-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112245;MM112245;O=CC(O)C(F)=CF;PBWZKGLXPNTHIT-UHFFFAOYSA-N;122.07;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112246;MM112246;C=CC(F)C(C)=CC;XSBMOXHNPMBLNC-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112247;MM112247;C=CC(F)C(C)=CF;PBZLRYBOUZIQHU-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112248;MM112248;CC=C(C)C(F)C=O;GLEURJRNWOTNSR-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112249;MM112249;C=CC(F)C(F)=CC;JYJRPHMMNUTLCQ-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112250;MM112250;C=CC(F)C(F)=CF;LJRAHCPYIKOYRO-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112251;MM112251;CC=C(F)C(F)C=O;GOOMFGGXIFDMRT-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112252;MM112252;CC=C(F)C(F)C#N;XPECOMKJFMWTHM-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112253;MM112253;O=CC(F)C(F)=CF;SBPCSWJIIGVPPC-UHFFFAOYSA-N;124.06;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112254;MM112254;N#CC(F)C(F)=CF;QFDDOVOVLJDQFB-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112255;MM112255;C=CC(C)C(C)=NN;USZBZEPXYGZUPX-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112256;MM112256;C=CC(C)C(C)=NO;HJRAPRJYSXFZAV-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112257;MM112257;CC12NC(=NO)NC1C2O;ODAZLCTWOHECTF-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112258;MM112258;CN1CC(C#N)=CC1=O;UYKXUTQKZQHBRR-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112259;MM112259;CC(CO)OC(CF)=NO;WOGUZPXTRUGEOX-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112260;MM112260;CC(=CF)N(C)C=N;YOFOUGIVFHICKO-UHFFFAOYSA-N;116.14;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112261;MM112261;CC=C(C)N(C)C=O;GJDYFLHGARREPP-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112262;MM112262;CC(=CF)N(C)C=O;DVLGXRNFUGNCPS-UHFFFAOYSA-N;117.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112263;MM112263;CC(=CF)N(N)C=O;DCTYFLKNFWHICF-UHFFFAOYSA-N;118.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112264;MM112264;CC=C(C)N(O)C=O;USRYGBBHSMDZPG-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112265;MM112265;C=CN(C)C(C)=NC;BVAWBFAPXVGZCM-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112266;MM112266;C=CN(C)C(C)=NN;FBYGMAJFEOZFIL-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112267;MM112267;CCOCOC(=NO)NN;YUSAJBXTJVSBPV-UHFFFAOYSA-N;149.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112268;MM112268;CN=C(C)N(C)C=N;SATNQIDUOMHBKW-UHFFFAOYSA-N;113.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112269;MM112269;CCC(=NO)NC=CC#N;JTGUYPIVUXDVFN-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112270;MM112270;CC(=NO)N(C)C=O;MVQZYUSWEBHPDT-UHFFFAOYSA-N;116.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112271;MM112271;CN=C(C)N(N)C=O;CJVKRKNGUIUZAD-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112272;MM112272;N=C1CN(N)C(=O)N1;YIWULZGYLIRMKX-UHFFFAOYSA-N;114.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112273;MM112273;C=CN(O)C(C)=NC;AMQYGCHONDXONX-UHFFFAOYSA-N;114.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112274;MM112274;C=NN=C(NC)NC=O;WXLQKKJAISNRQP-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112275;MM112275;C=NNC(=NC=O)NO;MHVBXPQRBKKCQD-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112276;MM112276;C#CC(C)C(C)=CC;KNNNCHHKXOLLBA-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112277;MM112277;C#CC(C)C(F)=CC;JRICPUFVJROOAO-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112278;MM112278;C#CC(C)C(F)=CF;VUYRRINGAWQHRN-UHFFFAOYSA-N;116.11;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112279;MM112279;C#CC(O)C(F)=CC;GEMZJJKZJSVBDI-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112280;MM112280;C#CC(O)C(F)=CF;NGNARCFWSBUDKQ-UHFFFAOYSA-N;118.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112281;MM112281;C#CC(F)C(C)=CC;UKEVTWOYJCQCRK-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112282;MM112282;C#CC(F)C(C)=CF;LDEBHPWQFJEOAZ-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112283;MM112283;C#CC(F)C(F)=CC;CGCQDBRYGOVHPU-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112284;MM112284;C#CC(F)C(F)=CF;NDXPYROEGJMCTJ-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112285;MM112285;C#CC(C)C(C)=NO;YTNFDAKBVIKZFK-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112286;MM112286;CCC1=CNC(=O)C1=N;JJDMBFFAWMKBDJ-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112287;MM112287;COCCC(=NO)NN;DONDNOHULCGJCH-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112288;MM112288;C=C(CC)C(C)=CC;JEXLENUBXCXCLZ-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112289;MM112289;C=C(CC)C(C)=CF;NNJBQMIBJMVDNE-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112290;MM112290;C=C(CN)C(C)=CC;DBPKRSNRKWILGP-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112291;MM112291;C=C(CN)C(C)=CF;LMILRTNMGSIVQV-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112292;MM112292;C=C(CO)C(C)=CC;ZIAKAXLKZDWGAO-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112293;MM112293;C=C(CO)C(C)=CF;IFKGSIIMFSRTBH-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112294;MM112294;C=C(CF)C(C)=CC;FCMMJPKMXPQSQP-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112295;MM112295;C=C(CF)C(C)=CF;ZULQFDUIQLDZNH-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112296;MM112296;C=C(CC)C(F)=CC;SAEYEFFUIWNICQ-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112297;MM112297;C=C(CC)C(F)=CF;FUDHLVLUNIPLBF-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112298;MM112298;C=C(CN)C(F)=CC;BANKYDNZKSAMNJ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112299;MM112299;C=C(CN)C(F)=CF;QMNQZRQUHMKDQJ-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112300;MM112300;C=C(CO)C(F)=CC;XUVRHLUYEWMUAL-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112301;MM112301;C=C(CF)C(F)=CC;YOMSEJCMFIZWBR-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112302;MM112302;CC=C(C)C(=O)CC;LJQNVNNQRWKTJP-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112303;MM112303;CCC(=O)C(C)=CF;RKCLGRGYVTXCBQ-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112304;MM112304;CC=C(C)C(=O)CF;QRNPTMWKUNEGDD-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112305;MM112305;CC(=CN)C(=O)CF;WMPQMFJVWZNLLQ-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112306;MM112306;CC(=CF)C(=O)CF;LHSJMYZBVGURAH-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112307;MM112307;CC=C(F)C(=O)CC;JJHRXJOQYHDDBS-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112308;MM112308;CCC(=O)C(F)=CF;YBIRYRKZIPMGPC-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112309;MM112309;CC=C(F)C(=O)CF;ZSJDSXOXBVESAW-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112310;MM112310;O=C(CF)C(F)=CF;QJJWVQMQDJTBBD-UHFFFAOYSA-N;124.06;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112311;MM112311;C=C(CC)C(C)=NN;UPMVXKXMAHJIQC-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112312;MM112312;NNC(=NO)OCCO;MZQXBWTURLGBPT-UHFFFAOYSA-N;135.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112313;MM112313;C=C(CO)C(C)=NO;QXBGMBUIQWSRBO-UHFFFAOYSA-N;115.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112314;MM112314;C=C(CF)C(C)=NN;JXPYVSFPOKJWDP-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112315;MM112315;C=C(CF)C(C)=NO;UYXPHPSJAPUMHK-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112316;MM112316;CCC(=O)C(C)=NO;ZVJBPHMCBRHVEV-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112317;MM112317;CC=C(C)C(=N)NC;BZRDSTSSMRYDRO-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112318;MM112318;CC(=CN)C(=N)NN;CSLJVKXCLFEKRX-UHFFFAOYSA-N;114.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112319;MM112319;O=CC1CNC(=NO)N1;IFXXHBFUCALUAZ-UHFFFAOYSA-N;129.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112320;MM112320;OCc1cnc(CF)[nH]1;RMZPFMJTMRBRBV-UHFFFAOYSA-N;130.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112321;MM112321;CNC(=O)C(C)=CF;ZCSJSZMXYJYKTG-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112322;MM112322;CC(C#N)NC(=N)C=NO;ZEVGWYNKFWFSOA-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112323;MM112323;N#CCC#CC(=O)NC=N;FGUGCWHPOMNHEX-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112324;MM112324;CC(=CN)C(=O)NO;XOBYKVFIXIOEFJ-UHFFFAOYSA-N;116.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112325;MM112325;NC=C(F)C(=O)NO;GLNUVKUPCYKMKA-UHFFFAOYSA-N;120.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112326;MM112326;CC1(CF)CCC(=NO)N1;UAVYVZNROZGZAY-UHFFFAOYSA-N;146.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112327;MM112327;C#CCCC(N)=CC=NO;AEELZVXQNXBASI-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112328;MM112328;CC(=NO)C(=O)NN;QSQXRFQLKPBJOD-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112329;MM112329;CC(=NN)C(=O)NO;ZEWZYLJXNWYWOP-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112330;MM112330;C=C(OC)C(C)=CC;JLZLCYHUNDSKEB-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112331;MM112331;C=C(OC)C(C)=CF;ZZVBMFRTSGUWQK-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112332;MM112332;C=C(OC)C(F)=CC;QRONTYAKICQFOG-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112333;MM112333;C=C(OC)C(F)=CF;NQIJINZZPGACPU-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112334;MM112334;CC=C(C)C(=O)OC;YYJWBYNQJLBIGS-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112335;MM112335;COC(=O)C(C)=CF;DGHNLTCFADXOHR-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112336;MM112336;CC=C(F)C(=O)OC;OVNLPNMCVJZSTA-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112337;MM112337;COC(=O)C(F)=CF;ACSLKJHYJXHQJG-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112338;MM112338;C=C(OC)C(C)=NN;SFMCBHYKDFTOOT-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112339;MM112339;C=CC(=C)C(N)=CC=NO;RQXSOXKEAJZKEZ-UHFFFAOYSA-N;138.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112340;MM112340;C=CC(=C)C(C)=CC;BGBIBPXAKJKLCY-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112341;MM112341;C=CC(=C)C(C)=CF;PRWALNWNDXTWMP-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112342;MM112342;C=C(C=O)C(C)=CC;AXRIOTLLGVJHCN-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112343;MM112343;C=C(C#N)C(C)=CC;UDTGCYCFHXLTMG-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112344;MM112344;C=C(C=O)C(C)=CF;OUHZNVGZFMNITN-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112345;MM112345;C=C(C#N)C(C)=CF;QXWKZTLLBXNRSP-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112346;MM112346;C=CC(=C)C(F)=CC;YCLDISRQYCANLQ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112347;MM112347;C=CC(=C)C(F)=CF;CDMVPTFWDYBPFC-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112348;MM112348;C=C(C=O)C(F)=CC;VWNGANRJIWXYHT-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112349;MM112349;C=C(C#N)C(F)=CC;YEOHLXMNNCTQMI-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112350;MM112350;C=C(C#N)C(F)=CF;NURCAPBQVNMWFT-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112351;MM112351;C=CC(=O)C(C)=CF;QOLNMVFVGJATRV-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112352;MM112352;CC=C(F)C(=O)C#N;SOUVSCIASTVGLS-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112353;MM112353;O=CC(=O)C(F)=CF;PEFBLVSDXQECRO-UHFFFAOYSA-N;120.05;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112354;MM112354;N#CC(=O)C(F)=CF;OVVBBPNQXNOMHY-UHFFFAOYSA-N;117.05;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112355;MM112355;C=CC(=C)C(C)=NN;MAINKKMXSNONDN-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112356;MM112356;C=CN(C=NO)C(C)=NN;HHMLDLUNQMQTNX-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112357;MM112357;C=C(C#N)C(C)=NO;DAIGGAHHCYZULX-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112358;MM112358;C#CC(=C)C(C)=CC;AUBAMCNRVHGSQM-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112359;MM112359;C#CC(=C)C(C)=CF;KYJOBRXRUPPDKK-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112360;MM112360;C#CC(=C)C(F)=CC;RLKFJPBZNPEGCR-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112361;MM112361;C#CC(=C)C(F)=CF;DKPKQGDSCFFPOZ-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112362;MM112362;C#CC(=O)C(C)=CC;UKUPZUVKWIIVON-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112363;MM112363;C#CC(=O)C(C)=CF;OUJROCBVNLPPIG-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112364;MM112364;C#CC(=O)C(F)=CC;SUAAEWFMQIUUNE-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112365;MM112365;C#CC(=O)C(F)=CF;HGZWJCAOWLWMQM-UHFFFAOYSA-N;116.07;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112366;MM112366;C#CC(=C)C(C)=NO;ADQCIPSJSXGKJX-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112367;MM112367;CC=C(C)C(C)=CC;PBGBMQLUDCDJQJ-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112368;MM112368;CC=C(C)C(C)=CF;MPFZEOKUPPXKTL-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112369;MM112369;CC=C(C)C(F)=CC;FSLQVZXEPDHUKS-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112370;MM112370;CC=C(C)C(F)=CF;HPAIAZLOXFGTJR-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112371;MM112371;CC=C(F)C(C)=CF;MDKKXXVJIDSYTO-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112372;MM112372;CC(=CF)C(F)=CF;IWDAAUPKHJQEJS-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112373;MM112373;CC=C(F)C(F)=CC;YTZNSVNNXRVUTR-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112374;MM112374;CC=C(F)C(F)=CF;VWYFXIWYUYFGIV-UHFFFAOYSA-N;122.09;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112375;MM112375;FC=C(F)C(F)=CF;YPADOBUHZLBHRH-UHFFFAOYSA-N;126.05;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112376;MM112376;CCN(N)C(CCO)=NO;LPOSKGICCUGZHX-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112377;MM112377;CNC(C#N)C(=O)NC=O;AKRCNQDWUZEOEI-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112378;MM112378;CC(=CF)C(C)=NO;AYFPMIPHKPEURS-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112379;MM112379;CC=C(F)C(C)=NN;UHUQRQNYAYJFMU-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112380;MM112380;CC=C(F)C(C)=NO;ZZFHVIGJJHLQBA-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112381;MM112381;CC(=NN)C(F)=CF;BKBLNSIHOPCHEI-UHFFFAOYSA-N;120.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112382;MM112382;CC(=NN)C(C)=NO;VEQOXYPNHHHMBQ-UHFFFAOYSA-N;115.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112383;MM112383;CCC(C)=C(C)CC;XTUXVDJHGIEBAA-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112384;MM112384;CCC(C)=C(C)CN;VNNFGPDJXIORJM-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112385;MM112385;N#CCC1=CNC(=NO)C1;UDKXMFYEQDGDPA-UHFFFAOYSA-N;137.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112386;MM112386;CCC(C)=C(C)CF;FWAQVGYFNWUSJV-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112387;MM112387;CC(CN)=C(C)CF;WCBHTUONCGQTEO-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112388;MM112388;CC(CO)=C(C)CO;LHWNRQDQUXQQPG-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112389;MM112389;CC(CO)=C(C)CF;RDBJXPAWIWLOMR-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112390;MM112390;CCC(C)=C(F)CC;SXNBJRDWQSUSEN-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112391;MM112391;CCC(C)=C(F)CO;RDFRJQGSEKOVPO-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112392;MM112392;CCC(C)=C(F)CF;VEDSPVWRRIRAMZ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112393;MM112393;CCC(F)=C(C)CN;YDORODBBVYNHNO-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112394;MM112394;CC(CN)=C(F)CN;XYHZSRWLUGJZFI-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112395;MM112395;CCC(F)=C(C)CO;HJQWFLHNKRZUBR-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112396;MM112396;CC(CO)=C(F)CF;JHPSDMIKDLPICH-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112397;MM112397;CCC(F)=C(C)CF;XGRLZHXYHPYBER-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112398;MM112398;CC(CF)=C(F)CO;CNALQUSQZDFMSW-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112399;MM112399;CC(CF)=C(F)CF;DCGONIUEIWJPPA-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112400;MM112400;CCC(F)=C(F)CC;ARMSCJMCTIPMDH-UHFFFAOYSA-N;120.14;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112401;MM112401;CCC(F)=C(F)CO;XYPZTRBVWYYHIJ-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112402;MM112402;CCC(F)=C(F)CF;FQTOIDWEFINDMJ-UHFFFAOYSA-N;124.11;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112403;MM112403;OCC(F)=C(F)CF;ZJWHUWGPYYWLEF-UHFFFAOYSA-N;126.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112404;MM112404;CCC(C)=C(C)OC;SSUJTDQYFTZGIQ-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112405;MM112405;COC(C)=C(C)CO;YGINXIJNKGFNGZ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112406;MM112406;COC(C)=C(C)CF;WRJUNWQPIJNWBC-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112407;MM112407;CCC(F)=C(C)OC;OUUJIWHDWFOZRL-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112408;MM112408;COC(C)=C(F)CF;SCQQTMDLTZZMGC-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112409;MM112409;C=CC(C)=C(C)CC;QTTAWIGVQMSWMV-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112410;MM112410;CCC(C)=C(C)C=O;VQXPWRZKVJLODT-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112411;MM112411;CCC(C)=C(C)C#N;AJPJASLUZXRMMI-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112412;MM112412;C=CC(C)=C(C)CN;LVGKEQJZEBNRIS-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112413;MM112413;NN=C1CCC(=NO)CC1;KMGMJOPKABLAAB-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112414;MM112414;C=CC(C)=C(C)CF;KPJRFSDGJOFPLA-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112415;MM112415;CC(C=O)=C(C)CF;NLXXDFBERUKRJK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112416;MM112416;CC(C#N)=C(C)CF;GDSLQIKDZIZVRY-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112417;MM112417;C=CC(F)=C(C)CC;GFXDHOWUTXSZSY-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112418;MM112418;CCC(C)=C(F)C=O;GNNGKBCGADSNTG-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112419;MM112419;CCC(C)=C(F)C#N;XFTVDOVOOFVBTQ-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112420;MM112420;C=CC(F)=C(C)CO;AZDRNKJQCOKBCU-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112421;MM112421;CC(CO)=C(F)C#N;LDKVVOKXFNVJLT-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112422;MM112422;C=CC(F)=C(C)CF;WXVJCJYXJZQNOJ-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112423;MM112423;CC(CF)=C(F)C=O;JRGWEOPAHGOURY-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112424;MM112424;CC(CF)=C(F)C#N;DDMMNIGATSOWEP-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112425;MM112425;CCC(N)=C(C)C#N;VPFGWBGYONWGNJ-UHFFFAOYSA-N;110.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112426;MM112426;CC(C=O)=C(N)CO;MPQJAZRLQDFIFK-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112427;MM112427;C=CN1C=NC(=NO)CC1;OBQPYKQMDKTRFA-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112428;MM112428;CC(C=O)=C(N)CF;DXOLRYHIZHOOBL-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112429;MM112429;NC(CO)=C(F)C=O;CYNBBVPHBFVLHF-UHFFFAOYSA-N;119.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112430;MM112430;N#CC(F)=C(N)CF;PXAZZAHLZRJEDZ-UHFFFAOYSA-N;118.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112431;MM112431;C=CC(C)=C(F)CC;CKSQFCBSMNJZMW-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112432;MM112432;CCC(F)=C(C)C=O;UZVGWLFZDRXFNQ-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112433;MM112433;CCC(F)=C(C)C#N;CUQSBJJEVMVYRW-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112434;MM112434;C=CC(C)=C(F)CO;HWFAYAYYTJWECX-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112435;MM112435;CC(C=O)=C(F)CF;HUVGIBULUROIIH-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112436;MM112436;CC(C#N)=C(F)CF;ZBJDDGDGUBZQHC-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112437;MM112437;C=CC(F)=C(F)CC;HUUPIKVBKNLCIP-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112438;MM112438;CCC(F)=C(F)C=O;IJYKRIKQHVINQG-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112439;MM112439;CCC(F)=C(F)C#N;MONNWWJQIMEKSB-UHFFFAOYSA-N;117.1;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112440;MM112440;C=CC(F)=C(F)CO;YXRHSUHIFHDGLC-UHFFFAOYSA-N;120.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112441;MM112441;C=CC(F)=C(F)CF;LDWMBDQEJHRBHG-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112442;MM112442;O=CC(F)=C(F)CF;IFKCCGKWOZIRBM-UHFFFAOYSA-N;124.06;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112443;MM112443;N#CC(F)=C(F)CF;JSLGRCLRCZYFEJ-UHFFFAOYSA-N;121.06;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112444;MM112444;CNC(C)=C(C)C#N;OBSVWFNDDPXTIV-UHFFFAOYSA-N;110.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112445;MM112445;CNC(C)=C(F)C=O;JZXALOLVDVDPCP-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112446;MM112446;CNC(C)=C(F)C#N;DGNQUGOCNVWARX-UHFFFAOYSA-N;114.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112447;MM112447;CNC(N)=C(C)C=O;ATTPMTTXYXRUCF-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112448;MM112448;CNC(N)=C(C)C#N;VERHSQKWNHKPGL-UHFFFAOYSA-N;111.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112449;MM112449;C=CC(C)=C(C)OC;CMVUPJLDZPSYCE-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112450;MM112450;COC(C)=C(C)C#N;HEPSHSZXQSKRPA-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112451;MM112451;COC(C)=C(F)C=O;QDNBZGWSMPDCSW-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112452;MM112452;COC(C)=C(F)C#N;MTFSRTPSCCHZSB-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112453;MM112453;COC(N)=C(C)C=O;IUPNPUINKKTIPN-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112454;MM112454;C#CC(C)=C(C)CC;BWZYJYDSANSNLX-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112455;MM112455;C#CC(C)=C(C)CO;PSFPUELGCCTXTD-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112456;MM112456;C#CC(C)=C(C)CF;NAYUFXKMLBLLIY-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112457;MM112457;C#CC(F)=C(C)CC;ZNUZEFBOSIQAOS-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112458;MM112458;C#CC(F)=C(C)CO;MSLBYQWVDDYWCD-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112459;MM112459;C#CC(F)=C(C)CF;NZOYNHXEXMYFPZ-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112460;MM112460;C#CC(C)=C(F)CC;GWPPIPKJXVYVHF-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112461;MM112461;C#CC(C)=C(F)CO;WANAFUGFNATYTO-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112462;MM112462;C#CC(C)=C(F)CF;SBEGUJWPPAHNJS-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112463;MM112463;C#CC(F)=C(F)CC;FCJSNMRAEVDVLO-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112464;MM112464;C#CC(F)=C(F)CF;RAXVLIGPAJGAMD-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112465;MM112465;C#CC(C)=C(C)OC;QTJSZUREKVWLBE-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112466;MM112466;C#CC(F)=C(C)OC;WLVUCJATHXAESU-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112467;MM112467;C=CC(C)=C(C)C=C;JKEUQQBRIRJHAK-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112468;MM112468;C=CC(C)=C(C)C=O;PRLULXQSQBZGBW-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112469;MM112469;C=CC(C)=C(C)C#N;TWHQMCGLOQFBKQ-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112470;MM112470;CC(C#N)=C(C)C=O;XKHCSICZOHHZHI-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112471;MM112471;CC(C#N)=C(C)C#N;DMDHMKZIUNKSBF-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112472;MM112472;C=CC(N)=C(C)C#N;NQGXWPGABVFVAR-UHFFFAOYSA-N;108.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112473;MM112473;CC(C#N)=C(N)C=O;WMNYVLLWBPHQAH-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112474;MM112474;CC(C=O)=C(N)C#N;NJBXOXUOYGFCQJ-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112475;MM112475;C=CC(C)=C(F)C=C;HAACMQDBEVILMT-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112476;MM112476;C=CC(C)=C(F)C=O;CFMRENMDHQFTSC-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112477;MM112477;C=CC(C)=C(F)C#N;GRSSPKXQMIFPFN-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112478;MM112478;C=CC(F)=C(C)C=O;MGDQNSHEXDQALQ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112479;MM112479;C=CC(F)=C(C)C#N;XVLVWMAYSYVUNU-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112480;MM112480;CC(C#N)=C(F)C=O;AEZWIGMGXRZCFA-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112481;MM112481;CC(C=O)=C(F)C#N;PEHVGEUDERTAJT-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112482;MM112482;CC(C#N)=C(F)C#N;UTONXDOZFDMRCT-UHFFFAOYSA-N;110.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112483;MM112483;CC1=CNC(=O)C1=N;SVYQHBRIYUPAAF-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112484;MM112484;C=CC(N)=C(F)C=O;SHEOWJUKOADEAY-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112485;MM112485;C=CC(N)=C(F)C#N;SAKRJTFOLUQBSX-UHFFFAOYSA-N;112.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112486;MM112486;C=CC(F)=C(F)C=C;MLSXOEATDPLSFY-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112487;MM112487;C=CC(F)=C(F)C=O;DRXYAPUGQCUWAJ-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112488;MM112488;C=CC(F)=C(F)C#N;QOEGEMQGEDSJDR-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112489;MM112489;C#CC(C)=C(C)C=C;MOGNLBUMHYNBHY-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112490;MM112490;C#CC(C)=C(C)C=O;YAFCTSZDMAAWLW-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112491;MM112491;C#CC(C)=C(C)C#N;FPOSIBQFXPJRMG-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112492;MM112492;C#CC(F)=C(C)C=C;CICZKAPGDGPTBP-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112493;MM112493;C#CC(F)=C(C)C=O;WDLXNMFZJJDVCQ-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112494;MM112494;C#CC(F)=C(C)C#N;GTNKSFKCXJNFIM-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112495;MM112495;C#CC(C)=C(F)C=C;XYCRFWIEKIBBAC-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112496;MM112496;C#CC(C)=C(F)C=O;AMNHNLFIBIWHGC-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112497;MM112497;C#CC(C)=C(F)C#N;SRTIHECISQWJSL-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112498;MM112498;C#CC(F)=C(F)C=C;OIAQPAHYAOXVQE-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112499;MM112499;C#CC(F)=C(F)C#N;NXTPXHINHYSNHN-UHFFFAOYSA-N;113.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112500;MM112500;C#CC(C)=C(C)C#C;FRQVRIXQJAQMDV-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112501;MM112501;C#CC(C)=C(F)C#C;XTEYLDZDHXORHN-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112502;MM112502;CCCCC(C)CC;LAIUFBWHERIJIH-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112503;MM112503;CCC(C)CCCN;HZZLWSFAPDJVLT-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112504;MM112504;CCC(C)CCCO;YNPVNLWKVZZBTM-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112505;MM112505;CCC(C)CCCF;LCTNHLOPBDBYHK-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112506;MM112506;CCCCC(C)CN;BNOMVHZDJIXZAA-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112507;MM112507;CCC(C=C(N)N)=NO;ZDWLHGFMETWLKA-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112508;MM112508;CC(=NO)N(N)C=NN;CQCOYSKQMNHHGP-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112509;MM112509;CCCCC(C)CF;UIFWHFXAUURBMG-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112510;MM112510;CC(CF)CCCN;ZMFPFBNTCHISOP-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112511;MM112511;CC(CF)CCCO;NPADSOYQHYAGGH-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112512;MM112512;CC(CF)CCCF;BBTSZFRYGRQXSC-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112513;MM112513;CCCCC(N)CC;SRMHHEPXZLWKOK-UHFFFAOYSA-N;115.22;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112514;MM112514;CCC(N)CCCF;VEMWCGUMXFTDPT-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112515;MM112515;CCCCC(N)CN;JVQUBHIPPUVHCN-UHFFFAOYSA-N;116.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112516;MM112516;NCCCC(N)CN;LWHMWTVYYKNHQA-UHFFFAOYSA-N;117.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112517;MM112517;NCC(N)CCCO;FFUHQFGOZPGSTK-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112518;MM112518;NCCCC(N)CO;UHHATRNUKJGRBN-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112519;MM112519;NC(CO)CCCO;UEDDHBVGNLVMRQ-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112520;MM112520;CCCCC(N)CF;POVXWUAOLRVWJT-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112521;MM112521;NCCCC(N)CF;LMMOQEGDLKSAPW-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112522;MM112522;NC(CF)CCCO;IOYFDVURYJVCPX-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112523;MM112523;CCN1C=NC(=NO)C1;JITOQJMXPARFHF-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112524;MM112524;CCC(O)CCCF;NABLMXHNBQISDS-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112525;MM112525;NCCCC(O)CN;IBUPNDMHIOTKBL-UHFFFAOYSA-N;118.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112526;MM112526;NCC(O)CCCO;SIDRRNHGEIKYSI-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,2-Hexanediol;MM00003;CCCCC(O)CO;FHKSXSQHXQEMOK-UHFFFAOYSA-N;118.18;0.53;94335;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112527;MM112527;NCCCC(O)CO;OBDADEXGEWOMQI-UHFFFAOYSA-N;119.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112528;MM112528;OCCCC(O)CO;WEAYWASEBDOLRG-UHFFFAOYSA-N;120.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112529;MM112529;OCC(O)CCCF;JDDMQLCSXFKGMB-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112530;MM112530;CCCCC(O)CF;WQTSDVJCKPGHHF-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112531;MM112531;NCCCC(O)CF;WDIFDNZAYGYGIA-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112532;MM112532;OCCCC(O)CF;CHSQGECIUHTDNZ-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112533;MM112533;CCCCC(F)CC;YZEWAFNBQHHABA-UHFFFAOYSA-N;118.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112534;MM112534;CCCCC(F)CN;OROGPYMCEJOHOF-UHFFFAOYSA-N;119.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112535;MM112535;NCCCC(F)CN;MPDPGHAJEQLBNN-UHFFFAOYSA-N;120.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112536;MM112536;NCC(F)CCCO;VQDRADOYJMPJCR-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112537;MM112537;CCCCC(F)CO;NVIVQGNQOLBSLT-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112538;MM112538;NCCCC(F)CO;LLISBUAHELBWBM-UHFFFAOYSA-N;121.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112539;MM112539;OCCCC(F)CO;CSFJYQZYZANSOH-UHFFFAOYSA-N;122.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112540;MM112540;CCCCC(F)CF;UXJZWIRSMHJQMM-UHFFFAOYSA-N;122.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112541;MM112541;FCCCC(F)CF;XVTHJGGTKFKRBY-UHFFFAOYSA-N;126.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112542;MM112542;CCC(C)CCNC;UAFBKINKAAHIFX-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112543;MM112543;CNCCC(C)CF;MZQRXBRECXPWRU-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112544;MM112544;CNCCC(N)CN;AYNVXKZRZWDQEY-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112545;MM112545;CNCCC(N)CO;IZNLBUGFPHHXJO-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112546;MM112546;CNCCC(N)CF;ZPZJVCHKYSPYMO-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112547;MM112547;CNCCC(O)CN;FAPVUQNOAIWBGJ-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112548;MM112548;CNCCC(O)CO;ZQNSAAQTUHTYCK-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112549;MM112549;CNCCC(F)CN;HBQKRVJLLLFBHG-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112550;MM112550;CNCCC(F)CO;MRJAXJBWVXKZNB-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112551;MM112551;CCC(C)CCOC;NRRLQGHHRCTIAS-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112552;MM112552;COCCC(C)CN;REQVSLUCTVBSQV-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112553;MM112553;COCCC(C)CO;KEGGFSYHFALPCI-UHFFFAOYSA-N;118.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112554;MM112554;COCCC(C)CF;YFMMCGSVTODPHC-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112555;MM112555;CCC(N)CCOC;CDILNRQXLHFPSL-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112556;MM112556;COCCC(N)CN;VGHVEWVHFGVRDM-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112557;MM112557;COCCC(N)CO;CXDOZVCBIJMGPS-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112558;MM112558;COCCC(N)CF;FEPDBPXFBPAOQR-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112559;MM112559;CCC(O)CCOC;AZMRGYLVBHEDEZ-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112560;MM112560;COCCC(O)CN;ATENZYXJBIZWHY-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112561;MM112561;COCCC(O)CO;LKAJWFLIIFXVPZ-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112562;MM112562;COCCC(O)CF;SCXVBXXQDPUUBG-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112563;MM112563;CCC(F)CCOC;KHIYMXJMFGQICI-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112564;MM112564;COCCC(F)CN;SOUWXKBOYDWJGX-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112565;MM112565;COCCC(F)CO;FWXOVUUIVPXOTA-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112566;MM112566;CCCCC(C)NC;SUOSRAKKOYHQBX-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112567;MM112567;CNC(C)CCCN;XTRPJLBBIDUKKY-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112568;MM112568;CNC(C)CCOC;OGIVZIHWLWBRKM-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112569;MM112569;CCCCC(C)OC;OVLZCXHCJCDIJB-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112570;MM112570;COC(C)CCCO;FSWHSYHYMTVSEL-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112571;MM112571;COC(C)CCCF;MUKWDJZLYFKTRF-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112572;MM112572;CNCCC(C)OC;DOSAIQLBPJBNOS-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112573;MM112573;COCCC(C)OC;JCRQEORWPZVZJP-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112574;MM112574;CCNCC(C)CC;WCDOAVZNGVXEIL-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112575;MM112575;CCNCC(C)CF;DMYZCFNCSWMYTG-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112576;MM112576;CCNCC(N)CN;XNWMYTRXARHLJI-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112577;MM112577;CCNCC(N)CO;VYILMMYYLMJMBW-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112578;MM112578;CCNCC(N)CF;FVNMDKGUIFOKKO-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112579;MM112579;CCNCC(O)CN;JZELTMQDHIZOHD-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112580;MM112580;CCNCC(O)CO;DHWUBIRULANTFI-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112581;MM112581;CCNCC(O)CF;SIHFSTIYJOKUPO-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112582;MM112582;CCNCC(F)CO;JPZKJXHDXZECLZ-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112583;MM112583;CCNCC(C)OC;ROJOPIDHWGFMTD-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112584;MM112584;CCOCC(C)CC;HMYXSLMGYNWZQR-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112585;MM112585;CCOCC(C)CN;FGUCWPSRTBOLSK-UHFFFAOYSA-N;117.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112586;MM112586;CCOCC(C)CO;DEGHSXFXNFUYKA-UHFFFAOYSA-N;118.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112587;MM112587;CCOCC(C)CF;JDRHCPSZXSPNQM-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112588;MM112588;CCOCC(N)CC;SXFVCTKXNFZMGD-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112589;MM112589;CCOCC(N)CN;AVWRLQUSLZOCPI-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112590;MM112590;CCOCC(N)CO;OCOQCJMDHZROCY-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112591;MM112591;CCOCC(O)CC;JQPQGHSESNJJBC-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112592;MM112592;CCOCC(O)CN;PCXPPKOCUWQETF-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112593;MM112593;CCOCC(O)CO;LOSWWGJGSSQDKH-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112594;MM112594;CCOCC(F)CC;XVKCPEQQNOMXIA-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112595;MM112595;CCOCC(F)CF;IAMXAKQLUBCPRL-UHFFFAOYSA-N;124.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112596;MM112596;CCOCC(C)NC;UHMZZZGDDGWBJH-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112597;MM112597;CCOCC(C)OC;GFMGMTAHHMMNTA-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112598;MM112598;CCCNC(C)CC;QYNZYUUXSVZDJO-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112599;MM112599;CCC(C)NCCF;KKVWXVMFFPWZCO-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112600;MM112600;CC(CN)NCCN;ZJINVUVGTWOUJI-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112601;MM112601;CC(CN)NCCO;QLSQYTKEUVPIJA-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112602;MM112602;CC(CN)NCCF;QCZOMSNIHHUQPZ-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112603;MM112603;CC(CO)NCCN;ZLRSOUDGYWRVMM-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112604;MM112604;CC(CO)NCCO;LOCBKKFQHYIRHE-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112605;MM112605;CCCNC(C)CF;SGHIOBFLBYJZPK-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112606;MM112606;CC(CF)NCCN;DUDZVHPGKBGDRO-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112607;MM112607;CCCOC(C)CC;NKCLBERXLKOMPK-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112608;MM112608;CCC(C)OCCN;BBBXFSMUUJXLJM-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112609;MM112609;CCC(C)OCCO;HUWFDQSAXOIUNP-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112610;MM112610;CCC(C)OCCF;ZAVLJHSRVXAULO-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112611;MM112611;CCCOC(C)CN;ZYSOCEMLXONWAC-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112612;MM112612;CC(CN)OCCN;FCWQRTJVOKZJSY-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112613;MM112613;CC(CN)OCCO;RMILBTDWDZXYPR-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112614;MM112614;CC(CN)OCCF;BMJCASMENZYFSW-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112615;MM112615;CCCOC(C)CO;PSKIVCBTSGNKBB-UHFFFAOYSA-N;118.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112616;MM112616;CC(CO)OCCN;DGCPZSLRAYKPND-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112617;MM112617;CC(CO)OCCO;IBKKDSPQRUFRBM-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112618;MM112618;CCCOC(C)CF;GPQHSGSUIJVIEL-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112619;MM112619;CC(CF)OCCF;OILPHGLHZCQXRK-UHFFFAOYSA-N;124.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112620;MM112620;COCOC(C)CO;YNDXFEKPXUXDQS-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112621;MM112621;CCCOC(C)OC;FHRJFMIFQKZLKN-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112622;MM112622;COC(C)OCCF;NILOONYLUFUVSY-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112623;MM112623;CCCCN(C)CC;WOLFCKKMHUVEPN-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112624;MM112624;CCN(C)CCOC;GLOXJMLMKNPSTH-UHFFFAOYSA-N;117.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112625;MM112625;C=CCCC(C)CC;WNEYWVBECXCQRT-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112626;MM112626;CCC(C)CCC=O;GIGNTOMJQYNUNL-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112627;MM112627;CCC(C)CCC#N;UWADIKOEYXBKPD-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112628;MM112628;C=CCCC(C)CN;JEDAVAJXFVJEJG-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112629;MM112629;OCc1ncc(CF)[nH]1;LFUNCHYHQZNEEJ-UHFFFAOYSA-N;130.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112630;MM112630;C=CCCC(C)CF;SFDUXXSETJQBOG-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112631;MM112631;CC(CF)CCC#N;ZVSFGFPILOZGTP-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112632;MM112632;C=CCCC(N)CC;MXWQMPMMDABUNM-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112633;MM112633;C=CCCC(N)CN;RGCMVVXOZMQXJQ-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112634;MM112634;CC(=O)ONC(=O)NC=N;ZJTPROHCSYCYCX-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112635;MM112635;CCC(O)CCC=O;HAPLZPWSLJPZBM-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112636;MM112636;C=CCCC(O)CO;WGTGQGJDNAGBCC-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112637;MM112637;O=CCCC(O)CO;LFRDGHVRPSURMV-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112638;MM112638;C=CCCC(O)CF;NHRQZCQNXYBDKD-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112639;MM112639;O=CCCC(O)CF;VWXLTKJCWZRBGO-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112640;MM112640;C=CCCC(F)CC;KFAYOCODZWVQLA-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112641;MM112641;CCC(F)CCC#N;OVNCYGMTYGNBLI-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112642;MM112642;C=CCCC(F)CO;NABZKHWVLPNWPV-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112643;MM112643;O=CCCC(F)CO;HNUFZZYBCOZHRQ-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112644;MM112644;C=CCCC(F)CF;NUAHTSIQFFFLRF-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112645;MM112645;O=CCCC(F)CF;USKLYILSTCJGCH-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112646;MM112646;C=CCCC(C)NC;VTHXHYHQTDXWRR-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112647;MM112647;C=CCCC(C)OC;WANPQIFKDJZMCO-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112648;MM112648;COC(C)CCC=O;UXHYDUZJRJBABN-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112649;MM112649;CCC(C)CNC=N;QCJAZNCDDGLTGX-UHFFFAOYSA-N;114.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112650;MM112650;N=C(N)C(=O)NOC(N)=O;DRLVEOGWMDIPAF-UHFFFAOYSA-N;146.11;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112651;MM112651;CC(CN)CNC=N;VRLADZXSBWJLEA-UHFFFAOYSA-N;115.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112652;MM112652;CC(CN)CNC=O;ASYAIYACOWYMQS-UHFFFAOYSA-N;116.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112653;MM112653;CC(CO)CNC=N;PPUAYPXTHMSXFB-UHFFFAOYSA-N;116.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112654;MM112654;CC(CO)CNC=O;DLZVLCOTUOFPQE-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112655;MM112655;CCC(N)CNC=O;OYNCNSANZYJVMG-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112656;MM112656;NCC(N)CNC=O;NNHRXONXBNZXQA-UHFFFAOYSA-N;117.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112657;MM112657;N=CNCC(N)CO;ZWTGQCUQGVCRIO-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112658;MM112658;NC(CO)CNC=O;SXNAFTMJDMHZHT-UHFFFAOYSA-N;118.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112659;MM112659;N=CNCC(N)CF;VDOILBFMSPBJSP-UHFFFAOYSA-N;119.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112660;MM112660;N=CNCC(O)CN;MNVHDPGFVMKUPD-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112661;MM112661;NCC(O)CNC=O;CPXYSZUBOUTSHP-UHFFFAOYSA-N;118.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112662;MM112662;N=CNCC(O)CO;ADKLJBWTOXNCIG-UHFFFAOYSA-N;118.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112663;MM112663;O=CNCC(O)CO;BLWTXDTUYUHPEN-UHFFFAOYSA-N;119.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112664;MM112664;N=CNCC(O)CF;CLPMPHLDQJQILQ-UHFFFAOYSA-N;120.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112665;MM112665;O=CNCC(O)CF;WPJVCDWKOREFOI-UHFFFAOYSA-N;121.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112666;MM112666;CCC(F)CNC=N;LWNFIAJSMYNONN-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112667;MM112667;N=CNCC(F)CN;HCJPBLABGIVKPP-UHFFFAOYSA-N;119.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112668;MM112668;NCC(F)CNC=O;VVKVBFKGINCUGV-UHFFFAOYSA-N;120.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112669;MM112669;N=CNCC(F)CO;DFVICJSRHHESBU-UHFFFAOYSA-N;120.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112670;MM112670;O=CNCC(F)CO;XCHVBYGSXLHRMA-UHFFFAOYSA-N;121.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112671;MM112671;O=CNCC(F)CF;DKTKKKPLZPBMOB-UHFFFAOYSA-N;123.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112672;MM112672;CC(CC(C)C=NN)=NO;QZCBIZQAPHXYEZ-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112673;MM112673;C=NNCC(N)CO;SWAWZRYUFMGYJD-UHFFFAOYSA-N;117.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112674;MM112674;C=NNCC(O)CN;CTRMWRAGDPAMBO-UHFFFAOYSA-N;117.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112675;MM112675;CC(=NC=N)NC(=O)NN;UJTJHFPHSAUFLL-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112676;MM112676;CON(C)C(=O)NC(C)=N;LTXKDOUGNVBIIQ-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112677;MM112677;CC(=N)NC(=O)C(=N)NN;KFTGVMONAYQNEL-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112678;MM112678;CNC(C)CNC=N;IKFJWBOTAMLYTD-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112679;MM112679;CNC(C)CNC=O;CXFBUUOUSZAFAZ-UHFFFAOYSA-N;116.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112680;MM112680;C=NNCC(C)NC;SYMKLTDQURUWPL-UHFFFAOYSA-N;115.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112681;MM112681;C=NNCC(C)OC;AEKNPECOVVQFLY-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112682;MM112682;C=COCC(C)CC;BHBDKPKKEYKKQB-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112683;MM112683;CCC(C)COC=O;DWORILFBIRYUDC-UHFFFAOYSA-N;116.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112684;MM112684;C=COCC(C)CO;JRINZCRAMUDLEF-UHFFFAOYSA-N;116.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112685;MM112685;C=COCC(C)CF;YYINTSANUZXHRC-UHFFFAOYSA-N;118.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112686;MM112686;C=COCC(N)CC;VSDMVRFSCLVCOF-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112687;MM112687;CCC(N)COC=O;JCDHOWDVCMMFMS-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112688;MM112688;C=COCC(N)CN;TWLFZECKXWVXAO-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112689;MM112689;NCC(N)COC=O;JUEVNVIKZBIQAG-UHFFFAOYSA-N;118.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112690;MM112690;C=COCC(N)CO;RODGRDOZNUSTQS-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112691;MM112691;NC(CO)COC=O;DIYDMULDZWHUFD-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112692;MM112692;C=COCC(O)CC;VYMRCJJQCHGDIW-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112693;MM112693;C=COCC(O)CN;DRPYGOJKXMOUQP-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112694;MM112694;NCC(O)COC=O;ZNWWPRKMFZCBRA-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112695;MM112695;O=COCC(O)CO;BVDRUCCQKHGCRX-UHFFFAOYSA-N;120.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112696;MM112696;O=COCC(O)CF;NSAIAQAJMCJLES-UHFFFAOYSA-N;122.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112697;MM112697;C=COCC(F)CC;ICPVEMLCODDRCA-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112698;MM112698;CCC(F)COC=O;FJDAZTVHNBQSEO-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112699;MM112699;NCC(F)COC=O;YAMQQFSSBCDTGE-UHFFFAOYSA-N;121.11;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112700;MM112700;O=COCC(F)CO;RHCAOSJEMNKTRQ-UHFFFAOYSA-N;122.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112701;MM112701;C=COCC(F)CF;IWDZFYQAYQQEGL-UHFFFAOYSA-N;122.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112702;MM112702;O=COCC(F)CF;PXSISFHQXCYKOS-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112703;MM112703;C=NOCC(C)CC;FEZKCMOTGLYJSK-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112704;MM112704;C=NOCC(C)CF;WAXJTLZVEJGHMZ-UHFFFAOYSA-N;119.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112705;MM112705;C=NOCC(N)CN;CZSLFDNSBVHEER-UHFFFAOYSA-N;117.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112706;MM112706;C=NOCC(N)CO;SGVMMKIEWNKRQI-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112707;MM112707;C=NOCC(O)CN;MCABISIIKNDNQF-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112708;MM112708;C#CC(=O)NC(CC)=NC;SKVLVQTXEJCJLR-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112709;MM112709;C=NOCC(F)CC;LIEPUFCWFVWGID-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112710;MM112710;C=NOCC(F)CN;NGMKXGGBJQAOOS-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112711;MM112711;C=COCC(C)NC;PYVJDQMBBSPMES-UHFFFAOYSA-N;115.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112712;MM112712;CNC(C)COC=O;MUSIYUALOQHXRT-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112713;MM112713;C=COCC(C)OC;AXKVQXODWGELSA-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112714;MM112714;C=CCNC(C)CC;WDMRKCLBICRBFB-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112715;MM112715;CCC(C)NCC=O;MWXDDUGKDLMRSN-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112716;MM112716;C=CCNC(C)CN;BMSDYLLCSYQRTK-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112717;MM112717;CNN(C)C(=O)NC=NN;GSGIXNHDTUDNFW-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112718;MM112718;CC(CF)NCC#N;CXFYSJCPHFWITB-UHFFFAOYSA-N;116.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112719;MM112719;CCC(C)NNC=N;DZGBFHOGVIFDJQ-UHFFFAOYSA-N;115.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112720;MM112720;CC(CN)NNC=N;RAZFRFMQTHFCKB-UHFFFAOYSA-N;116.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112721;MM112721;CC(CN)NNC=O;WBSOVQPPORJCEX-UHFFFAOYSA-N;117.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112722;MM112722;CC(CO)NNC=N;RAHIQBKKCFRAEF-UHFFFAOYSA-N;117.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112723;MM112723;O=CCONC(=NO)NO;WEABNIWFAVYNPM-UHFFFAOYSA-N;149.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112724;MM112724;C=CCOC(C)CC;MPRMGDHFHHJKCB-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112725;MM112725;CCC(C)OCC=O;NJZFLBIRFRFRFI-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112726;MM112726;CCC(C)OCC#N;OOPRIQHEHUHBAD-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112727;MM112727;C=CCOC(C)CO;BQKZEKVKJUIRGH-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112728;MM112728;C=CCOC(C)CF;BNBPSYDQBQVSSH-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112729;MM112729;CC(CF)OCC#N;KYAIHRFUFPZVJY-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112730;MM112730;C=CCOC(C)OC;AAYPCZZQEAJUGH-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112731;MM112731;CCC(C)ONC=N;IBRXDTCPSXTVBR-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112732;MM112732;CC(CN)ONC=N;VVBUKINXVHNXHZ-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112733;MM112733;CC(CN)ONC=O;SXTRCDKFBAZMIR-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112734;MM112734;CC(CO)ONC=N;ISASULIWKXZHEK-UHFFFAOYSA-N;118.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112735;MM112735;CC(CO)ONC=O;XQZLNMDUOJALNC-UHFFFAOYSA-N;119.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112736;MM112736;C=CCCN(C)CC;JSZYJLWPFIRXNJ-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112737;MM112737;CCN(C)CCC=O;AIRUKGRNWQLYAY-UHFFFAOYSA-N;115.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112738;MM112738;C#CCCC(C)CC;XZAXKNMXYFKSKY-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112739;MM112739;C#CCCC(C)CN;RLPVNIQGFRVUKE-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112740;MM112740;NN=CCOC(=NO)NN;MABNCXPFVONALS-UHFFFAOYSA-N;147.14;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112741;MM112741;C#CCCC(C)CF;RDHHSEJEXLIZID-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112742;MM112742;C#CCCC(N)CC;TYMZUPNFKXYIGY-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112743;MM112743;C#CCCC(N)CN;XBAAFJWZVKWWSO-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112744;MM112744;C#CCCC(N)CO;AAQLNWLDUWCQOD-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112745;MM112745;C#CCCC(N)CF;YYNDGEQEIDEGID-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112746;MM112746;NN(C=CF)C(=NO)NO;WJRYKGRYZMETEH-UHFFFAOYSA-N;150.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112747;MM112747;C#CCCC(O)CN;JUUPISMKQGJUEL-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112748;MM112748;C#CCCC(O)CO;YLENUGGQEDHZBP-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112749;MM112749;C#CCCC(O)CF;XOZJYGUZGUTQQE-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112750;MM112750;C#CCCC(F)CC;YAJHDLNDKLLVBI-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112751;MM112751;C#CCCC(F)CN;KKUFJKKRFYNUNR-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112752;MM112752;C#CCCC(F)CO;KLVGLALQTMEFFN-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112753;MM112753;C#CCCC(F)CF;ICMBSJAQBJCQGQ-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112754;MM112754;C#CCCC(C)NC;VZMQPXUZJRJLQT-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112755;MM112755;C#CCCC(C)OC;QOIBUHPCHXQIEW-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112756;MM112756;C#CCNC(C)CC;MMUSQLTVJWLCEI-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112757;MM112757;C#CCNC(C)CN;VRLJWRYUBNILKO-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112758;MM112758;C#CCNC(C)CO;ZJIKXXLLINGIQL-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112759;MM112759;C#CCOC(C)CC;KBXMQKYNKGHGBF-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112760;MM112760;C#CCOC(C)CF;GCBFUZANSIMPRZ-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112761;MM112761;C#CCCN(C)CC;DOPSSTFTQBFBJE-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112762;MM112762;C=CC(C)CCCC;QDMFTFWKTYXBIW-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112763;MM112763;C=CC(C)CCCN;PDTBYKIFWXQEPX-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112764;MM112764;CC#Cc1nc(CF)c[nH]1;UHWMXHLHSMTUJW-UHFFFAOYSA-N;138.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112765;MM112765;C=CC(C)CCCF;PESSJKIGDPZUNB-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112766;MM112766;CCCCC(C)C=O;BHVGMUDWABJNRC-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112767;MM112767;CCCCC(C)C#N;PZYFAYMXLISRGL-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112768;MM112768;CC(C#N)CCCO;BJJVDFADUDDTQK-UHFFFAOYSA-N;113.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112769;MM112769;CC(C#N)CCCF;YICYKEQRUDBEKV-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112770;MM112770;C=CC(N)CCCC;ARGFHRFMKAPLIB-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112771;MM112771;NN=CC1=CC(=NO)CC1;ANSYFXVXWBFVPR-UHFFFAOYSA-N;139.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112772;MM112772;C=CC(O)CCCO;FFHWDEIIIAGQKO-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112773;MM112773;CCCCC(O)C#N;VKIGAWAEXPTIOL-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112774;MM112774;O=CC(O)CCCO;PSAWNQZKGFLJOE-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112775;MM112775;N#CC(O)CCCO;IORPLDLUFODOQF-UHFFFAOYSA-N;115.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112776;MM112776;C=CC(F)CCCC;MVLPANWXZKZFIO-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112777;MM112777;C=CC(F)CCCN;JFOJIRWTQUGWLA-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112778;MM112778;C=CC(F)CCCO;VKABNIAJCPFFCD-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112779;MM112779;CCCCC(F)C=O;SZBYMTQVLAACCL-UHFFFAOYSA-N;118.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112780;MM112780;CCCCC(F)C#N;ZJLBAEAZBSFAAI-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112781;MM112781;O=CC(F)CCCO;NNXMWOFLLUAFPC-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112782;MM112782;O=CC(F)CCCF;YKKWEGCJYWUDOV-UHFFFAOYSA-N;122.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112783;MM112783;C=CC(C)CCNC;HADADQQAMMHERL-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112784;MM112784;CNCCC(C)C#N;SUPASGIVYGBBAG-UHFFFAOYSA-N;112.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112785;MM112785;CNCCC(O)C=O;YATIWEBZFUPVSM-UHFFFAOYSA-N;117.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112786;MM112786;CNCCC(O)C#N;DSNSJZNQFLPSSU-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112787;MM112787;C=CC(F)CCNC;CHLJMQLPAPKJAP-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112788;MM112788;CNCCC(F)C=O;LUVQIJQYGOAYRW-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112789;MM112789;C=CC(C)CCOC;SGCDCKGNTHGFOP-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112790;MM112790;COCCC(C)C=O;MMHMXZCCWWPBJL-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112791;MM112791;COCCC(O)C=O;FWCORYXWACXXIY-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112792;MM112792;C=CC(F)CCOC;AKSKQJCZPXSLMF-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112793;MM112793;C=CC(C)CNCC;HUOKKBIIJHGJMZ-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112794;MM112794;CCNCC(O)C=O;LAAIZHKRZPCXIA-UHFFFAOYSA-N;117.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112795;MM112795;C=CC(F)CNCC;RIFVGJPKLQSZSQ-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112796;MM112796;C=CC(C)COCC;XVBQYHPSDCVIED-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112797;MM112797;CCOCC(C)C=O;HUBUCNUGDNJBOF-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112798;MM112798;CCOCC(O)C=O;PICKBIRWGFJYAO-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112799;MM112799;C=CC(F)COCC;WXUSTCPNEUVGMD-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112800;MM112800;C=CC(C)NCCC;KTOATJXTGFTFCC-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112801;MM112801;C=CC(C)NCCN;DOMDYHNTKKWMTI-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112802;MM112802;CCCNC(C)C=O;HSPGSVFLNAEIRX-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112803;MM112803;Nc1cncn1O;BXHRZBNRSZKWEC-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112804;MM112804;C=CC(C)OCCC;JSMWIYHZTBJCSX-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112805;MM112805;C=CC(C)OCCO;CCLBJPRXUYVKGJ-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112806;MM112806;C=CC(C)OCCF;IELBQCQIPLMSQU-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112807;MM112807;CCCOC(C)C=O;CIASSWCFNNCKPE-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112808;MM112808;CCCOC(C)C#N;HJNUVCLGGKUJGW-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112809;MM112809;CC(C=O)OCCO;WTADHUDNKGZZGP-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112810;MM112810;CC(C#N)OCCF;VYUBCJBGWONRFH-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112811;MM112811;CCCCN(C)C=N;QXZYEZKFOVLHIG-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112812;MM112812;CN(C=N)CCCN;KMKMKRDPNRDEHU-UHFFFAOYSA-N;115.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112813;MM112813;CN(C=N)CCCO;KQNUWTNVFPWZEY-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112814;MM112814;CN(C=O)CCCN;MRBXNJREZKHKHG-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112815;MM112815;CN(C=O)CCCO;YMMGSYADVRAIOA-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112816;MM112816;N=CN(N)CCCO;JFVLYTIEKHJAGL-UHFFFAOYSA-N;117.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112817;MM112817;N=CN(N)CCCF;CTJHTHPZWONRMN-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112818;MM112818;N=CN(O)CCCN;WCCQSEUEHHLWOK-UHFFFAOYSA-N;117.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112819;MM112819;N=CN(O)CCCO;QFKVBIQBNNHZDK-UHFFFAOYSA-N;118.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112820;MM112820;O=CN(O)CCCF;UDIFANUOAALVNH-UHFFFAOYSA-N;121.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112821;MM112821;CNCCN(C)C=N;SCQQCTFEGAABNP-UHFFFAOYSA-N;115.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112822;MM112822;CNCCN(C)C=O;IVUZBXYMZUCGJY-UHFFFAOYSA-N;116.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112823;MM112823;CNCCN(N)C=N;FCJXRDUMCBXXHK-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112824;MM112824;CNCCN(N)C=O;WBWUNPWQBBOBOJ-UHFFFAOYSA-N;117.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112825;MM112825;CNCCN(O)C=N;NUYDHSNUPZRSNL-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112826;MM112826;COCCN(C)C=O;FJAVFOYHZWOWON-UHFFFAOYSA-N;117.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112827;MM112827;COCCN(N)C=N;DHWTWLMQMZLTSS-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112828;MM112828;COCCN(N)C=O;JBHRUHSYXHLNCT-UHFFFAOYSA-N;118.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112829;MM112829;C=NN(C)CCCC;CDTJZMZXPZRRDX-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112830;MM112830;C=NN(C)CCCN;CNWFZMOYWLAXFY-UHFFFAOYSA-N;115.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112831;MM112831;NNc1cc(F)[nH]n1;WFRKZYKPUCHJEE-UHFFFAOYSA-N;116.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112832;MM112832;C=NN(C)CCNC;HBJMQOZXAJCBQH-UHFFFAOYSA-N;115.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112833;MM112833;C=NN(C)CCOC;AIIDFVDHNTWQGL-UHFFFAOYSA-N;116.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112834;MM112834;CCCNN(C)C=N;UCNXVNOUSQSOQV-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112835;MM112835;CN(C=N)NCCN;IAYBNCUVZUMROH-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112836;MM112836;CN(C=N)NCCO;OFEJUWOJXVSYRZ-UHFFFAOYSA-N;117.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112837;MM112837;CN(C=O)NCCN;ILYATODKJXVIDH-UHFFFAOYSA-N;117.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112838;MM112838;CNNC(=O)NC=NN;MGYIXVHIJYUTFG-UHFFFAOYSA-N;131.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112839;MM112839;CN(C=N)OCCN;UFCRRTUTWKZNGJ-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112840;MM112840;CN(C=N)OCCO;CUIULFDSLIATGK-UHFFFAOYSA-N;118.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112841;MM112841;CN(C=N)OCCF;KZAXTKFDGAMLLB-UHFFFAOYSA-N;120.13;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112842;MM112842;CCCON(C)C=O;DZUDBUTZOSCWJC-UHFFFAOYSA-N;117.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112843;MM112843;CN(C=O)OCCN;XKQLRIBWIUSLSY-UHFFFAOYSA-N;118.14;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112844;MM112844;CN(C=O)OCCO;ORXHAKYSNQCVRT-UHFFFAOYSA-N;119.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112845;MM112845;CN(C=O)OCCF;RWTWDPMCXHABTE-UHFFFAOYSA-N;121.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112846;MM112846;COCON(C)C=N;QFZFZIOSHNOCOX-UHFFFAOYSA-N;118.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112847;MM112847;C=CCCC(C)C=C;WQUHWMVTUGCYAH-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112848;MM112848;C=CC(C)CCC=O;ONNBZNJCHJAMQS-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112849;MM112849;C=CC(C)CCC#N;MWAPSASTCAFOPN-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112850;MM112850;C=CCCC(C)C=O;RFDSJBMHTRDRBW-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112851;MM112851;C=CCCC(C)C#N;WSLQODBTEPJISE-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112852;MM112852;CC(C=O)CCC=O;IQKPRZPVTQHVOY-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112853;MM112853;C=CCCC(N)C=C;VRYKCSOIOALKSV-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112854;MM112854;CC1C(=N)NN=C1CO;GORRYVQVYYZQIJ-UHFFFAOYSA-N;127.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112855;MM112855;C=CCCC(O)C#N;XABRSSBCRXNZEW-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112856;MM112856;O=CCCC(O)C=O;QCKVEJNIUWLVTP-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112857;MM112857;C=CCCC(F)C=C;OEFXHIGQIWVSJX-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112858;MM112858;C=CC(F)CCC=O;PELZKWIORVYGTM-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112859;MM112859;C=CC(F)CCC#N;LVKAJVFRNTXWCU-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112860;MM112860;C=CCCC(F)C=O;UWRMUOHGAAHLMF-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112861;MM112861;C=CCCC(F)C#N;LOOYHBZWNJZTOL-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112862;MM112862;C=CC(C)CNC=N;AFAJWRGBYDQQCP-UHFFFAOYSA-N;112.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112863;MM112863;C#CC(=O)NC(=N)CC=C;OHVRQKFVXBOVFB-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112864;MM112864;CC(C=O)CN=CN;PUEVDRATWADQKT-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112865;MM112865;C=CC(N)CNC=N;QKJSQTZKBLTTBJ-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112866;MM112866;C=CC(N)CNC=O;DVLNLBPQTGNKGU-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112867;MM112867;C=CC(O)CNC=N;BDPKDIKNPRFXTF-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112868;MM112868;C=CC(O)CNC=O;NIASRDPWXOBELH-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112869;MM112869;NC=NCC(O)C=O;DAKVKKZUVXSWFC-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112870;MM112870;N#CC(O)CNC=N;STXCHSBREWRUQV-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112871;MM112871;O=CNCC(O)C=O;UKGUUXGMYDOHII-UHFFFAOYSA-N;117.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112872;MM112872;N#CC(O)CNC=O;NVZONANFEAALKP-UHFFFAOYSA-N;114.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112873;MM112873;CCCNNC(=O)NOC;FIPUJNSWGFAJSP-UHFFFAOYSA-N;147.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112874;MM112874;C=NOC(=N)NNC=NO;ICVAFYUMYSZGNO-UHFFFAOYSA-N;145.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112875;MM112875;CNN=CNC(=O)NNC;WXZLGKKRZUEQRO-UHFFFAOYSA-N;145.17;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112876;MM112876;C=COCC(C)C=C;IHCJQJNQBXUYBA-UHFFFAOYSA-N;112.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112877;MM112877;C=CC(C)COC=O;KUCUGJSDNLMUJI-UHFFFAOYSA-N;114.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112878;MM112878;C=COCC(C)C=O;OUXAEMLYISCOGK-UHFFFAOYSA-N;114.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112879;MM112879;CC(C#N)COC=O;VUWAHMGKYZKPFI-UHFFFAOYSA-N;113.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112880;MM112880;C=CC(N)COC=O;VWJJFRICWSYHLA-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112881;MM112881;C=COCC(O)C=C;SMFLYYDPMORBSX-UHFFFAOYSA-N;114.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112882;MM112882;O=COCC(O)C=O;KPNLRVSXJKQPPJ-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112883;MM112883;N#CC(O)COC=O;JWNDPWSIRQBFES-UHFFFAOYSA-N;115.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112884;MM112884;C=COCC(F)C=C;AEKHZXZVRBALCR-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112885;MM112885;C=COCC(F)C#N;OIIYTFHGWXEHKG-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112886;MM112886;C=CC(C)CON=C;WLDOOUDRIQHPNC-UHFFFAOYSA-N;113.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112887;MM112887;CN(C)N=CC(=NO)NN;HJNIOMPWBNWNTJ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112888;MM112888;C=NOCC(O)C#N;YDXQVJMAAGBBBO-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112889;MM112889;C=CC(F)CON=C;BTYIQIBBZVVSNA-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112890;MM112890;C=CCNC(C)C=C;HJRYZVCISQDNSK-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112891;MM112891;N#CC(=N)N(C=N)NC=O;DVBBLUUBHHOOJE-UHFFFAOYSA-N;139.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112892;MM112892;C#CCN=C(NO)NC=O;ZTQMWYYUWDLGOR-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112893;MM112893;CC(C#N)NCC#N;LGPWRZUWHNUZIC-UHFFFAOYSA-N;109.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112894;MM112894;C=CC(C)NNC=N;AWXPZPISTRRCQQ-UHFFFAOYSA-N;113.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112895;MM112895;C#CC(=CF)C(=O)NNC;OQSSPVYFYFYAFT-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112896;MM112896;CC(C=O)NN=CN;GCZUCZMYOCFKMU-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112897;MM112897;CC(C=O)NNC=O;ZOVJVCDYPVOWEI-UHFFFAOYSA-N;116.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112898;MM112898;C=CCOC(C)C=C;XEUZTNGBNIEKAX-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112899;MM112899;C=CC(C)OCC=O;JYQMZLXNJBHHBU-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112900;MM112900;C=CC(C)OCC#N;LOWJWEMUHYGTQT-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112901;MM112901;C=CCOC(C)C=O;HIZLQBFGVWJIQL-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112902;MM112902;C=CCOC(C)C#N;QRWSGACWDNITQG-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112903;MM112903;C=CC(C)ONC=N;FBEJUHCYDQMGFZ-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112904;MM112904;CC(C=O)ONC=O;VGPIQXUHPACPKP-UHFFFAOYSA-N;117.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112905;MM112905;CC=C(OC)N(N)C=NO;CVCVPBUPKGGXSJ-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112906;MM112906;N=CN(O)CCC=O;BUUXEQRVEVQFOV-UHFFFAOYSA-N;116.12;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112907;MM112907;O=CCCN(O)C=O;RLJUZYCOJNMDGU-UHFFFAOYSA-N;117.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112908;MM112908;C=CCCN(C)N=C;CHGXFZCKVPXMBE-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112909;MM112909;C=CCN1C=NC(=NO)C1;IVZZCLCNTVCLRC-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112910;MM112910;C=CCNN(C)C=N;DYTJNBKQEABBPQ-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112911;MM112911;CN(C=N)NCC=O;JZNLQWUUYRQNCZ-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112912;MM112912;N#CCC1=CCC(=NO)N1;JPXJGTLPJWHDLD-UHFFFAOYSA-N;137.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112913;MM112913;CN(C=N)OCC=O;LOHSMSUBKWATJA-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112914;MM112914;CN(C=O)OCC=O;QJBNFRDKANPWKC-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112915;MM112915;C#CCCC(C)C=C;PQBWGRWSMFTXHH-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112916;MM112916;C#CCCC(C)C=O;SETBWOIZNYKNLH-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112917;MM112917;C#CCCC(C)C#N;BQMBQBPOQZSERG-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112918;MM112918;C#CCCC(N)C=C;YQMRLPSKPIGKDF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112919;MM112919;CC(=NO)C(C)=C(N)N;GNWYFFJEOYVMKB-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112920;MM112920;C#CCCC(F)C=C;AJQCMCHYKNOOTQ-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112921;MM112921;C#CCCC(F)C=O;DQEJCKHSCAGPLW-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112922;MM112922;C#CCCC(F)C#N;DIACHYZBJOLOSV-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112923;MM112923;C#CCOC(C)C=C;QOCFGNMLOJUGNJ-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112924;MM112924;C#CCCN(C)C=N;XQWMHTZDIUNUIU-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112925;MM112925;C#CCCN(N)C=O;UMYHOJOUWPONRD-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112926;MM112926;C#CCCN(C)N=C;DHSDGXWUUDUIGC-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112927;MM112927;C#CCNN(C)C=N;MQBFBHVGGDNRSA-UHFFFAOYSA-N;111.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112928;MM112928;C#CCNN(C)C=O;RVIWPIRARZAODI-UHFFFAOYSA-N;112.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112929;MM112929;C#CC(C)CCCC;ATKNUJMYQIQYAU-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112930;MM112930;C#CC(C)CCCN;VBFVVPYOKMKLKV-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112931;MM112931;C#CC(C)CCCO;KLGSGTUNRBJKKR-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112932;MM112932;C#CC(C)CCCF;GTRDIQZPXYKLKX-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112933;MM112933;C#CC(N)CCCC;MTETYYPVLVNZCA-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112934;MM112934;C#CC(N)CCCN;UCVFVKMHFQZVNZ-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112935;MM112935;C#CC(N)CCCO;SJYPFLUZSSKDKO-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112936;MM112936;C#CC(O)CCCC;SHSFXAVQBIEYMK-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112937;MM112937;C#CC(O)CCCN;UCFMXNBEVYYLOX-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112938;MM112938;C#CC(F)CCCC;TUJZEVOFOYBRAR-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112939;MM112939;C#CC(C)CCNC;OASTTXVEVSKCHI-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112940;MM112940;C#CC(N)CCNC;WGQYVRVQGQLEHW-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112941;MM112941;C#CC(O)CCNC;NXKMNZYNORYVOJ-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112942;MM112942;C#CC(C)CCOC;GLCWKMVUYKGINM-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112943;MM112943;C#CC(N)CCOC;UEBIUONYAASPKV-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112944;MM112944;C#CC(F)CCOC;UJMLBUGRZAVGFY-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112945;MM112945;C#CC(C)CNCC;LYWPWFAHYSFUEI-UHFFFAOYSA-N;111.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112946;MM112946;C#CC(N)CNCC;ZNEANAGWRPTRAI-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112947;MM112947;C#CC(O)CNCC;UCGBVNKSLKIKTA-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112948;MM112948;C#CC(C)COCC;PTMCZTDFKPGNAP-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112949;MM112949;C#CC(F)COCC;LUZHAIPKOVWPLL-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112950;MM112950;C#CC(C)NCCC;BEZJWQPWQUCIIS-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112951;MM112951;C#CC(C)NCCN;CBBYDXIJLXIGFQ-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112952;MM112952;C#CC(C)NCCO;YMYQKEUHTDBJFC-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112953;MM112953;C#CC(C)OCCC;WWFDWILNEZBELG-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112954;MM112954;C#CC(C)OCCN;NOPOFWTUCGQOGD-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112955;MM112955;C#CC(C)OCCF;ZTVVTDKYSWXVQQ-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112956;MM112956;C#CC(C)OCOC;IITKFMBEXOWNDW-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112957;MM112957;C#CC(C)CCC=C;VOYBKEOSUQOXDX-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112958;MM112958;C#CC(C)CCC=O;XBHFWWQTUANLOE-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112959;MM112959;C#CC(C)CCC#N;YIMCQYPSCMMNTB-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112960;MM112960;C#CC(N)CCC=C;WYHPUXYPQBHDIK-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112961;MM112961;C#CC(O)CCC=C;HLNOUBQWBSGEJH-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112962;MM112962;C#CC(O)CCC=O;WFNOLVYMJDBPNB-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112963;MM112963;C#CC(F)CCC=C;KUGRHXGZVMBURZ-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112964;MM112964;C#CC(F)CCC#N;FTPXLKQOTXDBTD-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112965;MM112965;C#CC(N)CNC=N;YIMMDKHKDWSIPM-UHFFFAOYSA-N;111.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112966;MM112966;C#CC(O)CNC=N;UUKBODJIVBTEQM-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112967;MM112967;C#CC(O)CNC=O;FMVJUTDYUZLZRR-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112968;MM112968;C#CC(F)CNC=N;SQCIHNLHRDMQNT-UHFFFAOYSA-N;114.12;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112969;MM112969;C#CC(F)CNC=O;XLIVAVVALREIII-UHFFFAOYSA-N;115.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112970;MM112970;C#CC(C)CNN=C;VLSCWNHCMLEBEB-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112971;MM112971;CC(=N)NC(=O)NC(N)=O;INYJYIUMZBQCKM-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112972;MM112972;C#CC(F)CNN=C;LWNCXQOVHCJMSD-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112973;MM112973;C#CC(C)COC=C;BVAUCIZYJVKNIJ-UHFFFAOYSA-N;110.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112974;MM112974;C#CC(C)COC=O;YMKFNBKTBUPJSD-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112975;MM112975;C#CC(O)COC=C;XRLBMNIBWGJYOG-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112976;MM112976;C#CC(O)COC=O;UREXUOYGNFQLNJ-UHFFFAOYSA-N;114.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112977;MM112977;C#CC(F)COC=C;FHAKYXWRTPLZML-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112978;MM112978;C#CC(C)CON=C;FQCMLMYLXFCWOI-UHFFFAOYSA-N;111.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112979;MM112979;C#CC(C)NCC#N;HSRVYDWDXFSKEF-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112980;MM112980;C#CC(C)OCC=C;ZMCSHBLZFPWQKL-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112981;MM112981;C#CC(C)ONC=N;GFNMZISYRJRGFY-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112982;MM112982;C#CC(C)ONC=O;RMLNSRPFTHRETD-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112983;MM112983;C#CCCC(C)C#C;RGELCCHLDKETOP-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112984;MM112984;C#CCCC(N)C#C;LQQJKKPROPWLHG-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112985;MM112985;C#CCCC(O)C#C;CGHNRACJEULISU-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112986;MM112986;C#CCCC(F)C#C;ZXBBXTPVKHTYQP-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112987;MM112987;C=C(CC)CCCC;XTVRLCUJHGUXCP-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112988;MM112988;C=C(CC)CCCN;JKSGKXKBQOJJIY-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112989;MM112989;CC(C=C(N)C(C)O)=NO;MNCNQTPHANGYBF-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112990;MM112990;C=C(CC)CCCF;NKLLTUYSPLKGMC-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112991;MM112991;C=C(CN)CCCC;CNLPGSAJOQTJHL-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112992;MM112992;C=C(CO)CCCC;VXIRJOHCLXLYOA-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112993;MM112993;C=C(CF)CCCC;HPEKBMSCYLIROE-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112994;MM112994;CC#CC(=O)NC(C)=NC;NEVXLOUQXZBFIR-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112995;MM112995;C=C(CF)CCCF;MNEFDOXRRYCQIE-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112996;MM112996;CCCCC(=O)CC;NGAZZOYFWWSOGK-UHFFFAOYSA-N;114.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112997;MM112997;O=C(CO)CCCO;XROYCWZMPOOEDP-UHFFFAOYSA-N;118.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112998;MM112998;CCCCC(=O)CF;REARGOUCOBYKTJ-UHFFFAOYSA-N;118.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM112999;MM112999;O=C(CF)CCCO;BBZMYMWYSGUJQS-UHFFFAOYSA-N;120.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113000;MM113000;CCC(=O)CCNC;OREAUOBVFKXSIE-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113001;MM113001;CNCCC(=O)CO;WPUVQBAYSNORQB-UHFFFAOYSA-N;117.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113002;MM113002;CNCCC(=O)CF;CKCSRZHDIRVSLL-UHFFFAOYSA-N;119.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113003;MM113003;C=C(CC)CCOC;XKIDYHMVZDVDQC-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113004;MM113004;C=C(CF)CCOC;QDIHEAXTYRYMEF-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113005;MM113005;COCCC(=O)CO;VYTVLLKDLQLFJN-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113006;MM113006;CCCCC(=N)NC;ILZGWBDPYGSWSC-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113007;MM113007;CNC(=N)CCCN;SWSPFSVZPXVSAU-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113008;MM113008;CNC(=N)CCCO;ZNDUYSHWMGTHNL-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113009;MM113009;N=C(CCCO)NN;IITFWYBDSNOELR-UHFFFAOYSA-N;117.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113010;MM113010;N=C(CCCN)NO;YXAFRXCCWGNZFW-UHFFFAOYSA-N;117.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113011;MM113011;N=C(CCCO)NO;OYNDKEODHIEIKF-UHFFFAOYSA-N;118.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113012;MM113012;CNC(=O)CCCN;IJUCBGPQWGGYBV-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113013;MM113013;CNC(=O)CCCO;DLKOPXVSDZXMRM-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113014;MM113014;N=CN=CNC(=O)NC=N;WKCOMIYPSYLSEY-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113015;MM113015;C=C(OCC)N(N)C=NO;KHSYKQGPCQQGSF-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113016;MM113016;NCCCC(=O)NO;IMJNPWBZRROYKS-UHFFFAOYSA-N;118.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113017;MM113017;O=C(CCCO)NO;VIQGITZFEAMFBU-UHFFFAOYSA-N;119.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113018;MM113018;CNCCC(=N)NC;INMNAALVTDZAGM-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113019;MM113019;CNCCC(=N)NN;MBGHXQZDQXEKJF-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113020;MM113020;CNCCC(=N)NO;PHRUWATXNWJXMZ-UHFFFAOYSA-N;117.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113021;MM113021;CNCCC(=O)NC;BZAGWSIKXFPLND-UHFFFAOYSA-N;116.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113022;MM113022;CNCCC(=O)NN;CPYMAHWEWXBGGY-UHFFFAOYSA-N;117.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113023;MM113023;CNCCC(=O)NO;GVNIJYUZPWLBGG-UHFFFAOYSA-N;118.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113024;MM113024;COCCC(=N)NN;LIMALFLWPKJOPM-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113025;MM113025;COCCC(=N)NO;ORONPIWHCJVHPQ-UHFFFAOYSA-N;118.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113026;MM113026;CNNC(=NC=O)NC=O;ADJXFPOEZUUQKR-UHFFFAOYSA-N;144.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113027;MM113027;COCCC(=O)NO;QYJAMXRRFOPQGW-UHFFFAOYSA-N;119.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113028;MM113028;C=C(CCCC)OC;AMRGRKVHBQWHLW-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113029;MM113029;C=C(CCCO)OC;FPRQUPWCDCBRKP-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113030;MM113030;C=C(CCCF)OC;BHARZERBMDXCJA-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113031;MM113031;CCCCC(=O)OC;HNBDRPTVWVGKBR-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113032;MM113032;C=C(CCOC)OC;PULREQROXCYZIE-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113033;MM113033;C=C(CC)CNCC;UYBZCRMELBIPAL-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113034;MM113034;C=C(CF)CNCC;FEZFPOJNLDFWKA-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113035;MM113035;CCNCC(=N)NC;ABZXGAAIVRXBBX-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113036;MM113036;CCNCC(=N)NN;DNRNWBXXJTYMFL-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113037;MM113037;CCNCC(=N)NO;IKHMJRSBTUBVGT-UHFFFAOYSA-N;117.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113038;MM113038;CCNCC(=O)NC;CTWKDSQETUYEAI-UHFFFAOYSA-N;116.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113039;MM113039;CCNCC(=O)NN;KYVJWDBLFYJOIZ-UHFFFAOYSA-N;117.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113040;MM113040;C=C(CNCC)OC;WVWDBSKCOCCATJ-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113041;MM113041;C=C(CC)COCC;OWGXPMLEVXANMS-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113042;MM113042;C=C(CF)COCC;DJJDNRWMBQTEJX-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113043;MM113043;CCOCC(=O)CC;FRFMOVPIHHDDPP-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113044;MM113044;CCOCC(=N)NN;FQHICZFRYLALNR-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113045;MM113045;CCOCC(=N)NO;FLQGZPLLJYNPHU-UHFFFAOYSA-N;118.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113046;MM113046;CCC(O)CC(=NO)NN;UFCNVMFIHOWFEW-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113047;MM113047;CCOCC(=O)NO;BGQZFLATFMOJRL-UHFFFAOYSA-N;119.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113048;MM113048;C=C(COCC)OC;BSATVIOZGIIHRM-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113049;MM113049;CCCNC(=N)CC;RGMXJJNCDHSMDL-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113050;MM113050;CCC(=N)NCCN;FEDKAUFNYPMIFC-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113051;MM113051;CCC(=N)NCCO;SKAWIGXEEBUFJS-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113052;MM113052;N=C(CN)NCCN;KARTWAIWVWICAG-UHFFFAOYSA-N;116.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113053;MM113053;N=C(CN)NCCO;FRHMPFREWXREBG-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113054;MM113054;N=C(CO)NCCN;NPSGLLNIKAPROU-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113055;MM113055;N=C(CO)NCCO;NIALZGXHLSUUGN-UHFFFAOYSA-N;118.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113056;MM113056;N=C(CO)NCCF;FSSZCFODNPWJIF-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113057;MM113057;CCC(=O)NCCN;SUYTZMWLZYCZEF-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113058;MM113058;CCC(=O)NCCO;GQKLTNAIFDFUDN-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113059;MM113059;NCCNC(=O)CN;NFSGQYGMPDCEFD-UHFFFAOYSA-N;117.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113060;MM113060;NCCNC(=O)CO;IHQDUEDKOPTHNY-UHFFFAOYSA-N;118.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113061;MM113061;O=C(CO)NCCO;NAOVCEBACWAEDG-UHFFFAOYSA-N;119.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113062;MM113062;O=C(CO)NCCF;YTGYSPKADOTQDW-UHFFFAOYSA-N;121.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113063;MM113063;NCCNC(=O)CF;DQJQEUNLJIIWKX-UHFFFAOYSA-N;120.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113064;MM113064;O=C(CF)NCCO;IAVKZMHIGSCQRU-UHFFFAOYSA-N;121.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113065;MM113065;O=C(CF)NCCF;YCDIIABELFVSKJ-UHFFFAOYSA-N;123.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113066;MM113066;CNC(=N)NCCN;WLBCFQKAUUKVGC-UHFFFAOYSA-N;116.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113067;MM113067;CNC(=N)NCCF;OMBYNKHNUOQIAG-UHFFFAOYSA-N;119.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113068;MM113068;N=C(NN)NCCO;XJXOQKKKNATWCS-UHFFFAOYSA-N;118.14;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113069;MM113069;N=C(NN)NCCF;WVPZUICRVKYLBB-UHFFFAOYSA-N;120.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113070;MM113070;N=C(NO)NCCN;QYBDVEZZACOQSA-UHFFFAOYSA-N;118.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113071;MM113071;N=C(NO)NCCO;GOAKSHGDMNOEIZ-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113072;MM113072;N=C(NO)NCCF;DOQTWPFIQBVMOE-UHFFFAOYSA-N;121.12;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113073;MM113073;CNC(=O)NCCN;LSFPCCTYAJBRAC-UHFFFAOYSA-N;117.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113074;MM113074;CNC(=O)NCCO;NLVGGTZDDAUPNY-UHFFFAOYSA-N;118.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113075;MM113075;CNC(=O)NCCF;MFXZOMNMWJPMMG-UHFFFAOYSA-N;120.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113076;MM113076;CN=C(NO)ONC(N)=O;SPTIEUXGCIZIRR-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113077;MM113077;CCNNC(=O)NC=NN;YENWWRGEZNFHQC-UHFFFAOYSA-N;145.17;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113078;MM113078;O=CCN=C(NO)NC=O;WETKFSILVCZVGF-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113079;MM113079;NCCNC(=O)NO;IHBUBKWLKFJGER-UHFFFAOYSA-N;119.12;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113080;MM113080;O=C(NO)NCCO;VWPIRHNWEYEWLY-UHFFFAOYSA-N;120.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113081;MM113081;COC(=N)NCCN;TWXRJSFTBOFUDX-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113082;MM113082;COC(=N)NCCO;KQZHHVHFOMJOHO-UHFFFAOYSA-N;118.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113083;MM113083;COC(=O)NCCN;ZLPCBYPQDSLNMY-UHFFFAOYSA-N;118.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113084;MM113084;COC(=O)NCCO;ZLADYZHDLCSTJV-UHFFFAOYSA-N;119.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113085;MM113085;CCNNC(=N)CC;IFNKWYWDWMHGIA-UHFFFAOYSA-N;115.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113086;MM113086;CCNNC(=N)CN;DKOVSEKFYCJWEV-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113087;MM113087;CCNNC(=N)CO;JFPFCKMHFTZCIR-UHFFFAOYSA-N;117.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113088;MM113088;CCNNC(=N)NN;UZMGXLRESCULIG-UHFFFAOYSA-N;117.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113089;MM113089;CCNNC(=N)NO;CTAPBNLPOFAOJF-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113090;MM113090;C#CCNNC(=NO)OC;MQGPMOKHPGVPTD-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113091;MM113091;CCNNC(=O)NO;CVYWBADXFSZJBW-UHFFFAOYSA-N;119.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113092;MM113092;NNC(=NO)N(O)C=CF;MJGVNVUTJWCVEB-UHFFFAOYSA-N;150.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113093;MM113093;CCONC(=N)CC;KIHOGKVFTMERBP-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113094;MM113094;CCONC(=N)CN;OORJZUBSCISSML-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113095;MM113095;C=CCn1ccc(O)n1;ZWDBUKVZTMTQSN-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113096;MM113096;CCONC(=O)NC;WTUNFOIATZGLMM-UHFFFAOYSA-N;118.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113097;MM113097;C=C(CC)OCCC;DSNAENMWBFFBOE-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113098;MM113098;C=C(CC)OCCN;KRZJLUSXHWAQFN-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113099;MM113099;C=C(CC)OCCO;XCNGAPQCDVGISX-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113100;MM113100;C=C(CC)OCCF;AOEKVIIXRIDZGX-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113101;MM113101;C=C(CN)OCCC;HLCZODFLNRSAQY-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113102;MM113102;C=C(CN)OCCN;TVIKNYQNZLDPMG-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113103;MM113103;C=C(CN)OCCO;SKANGHBUDHHETI-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113104;MM113104;C=C(CN)OCCF;ITAXBOAQHWVBMC-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113105;MM113105;C=C(CO)OCCC;YYRKORPFJXHZJT-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113106;MM113106;C=C(CO)OCCN;WFBPWIAFSVVOOI-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113107;MM113107;C=C(CF)OCCC;XGIDZDIKHRHOSN-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113108;MM113108;C=C(CF)OCCN;WHHJPANUMWYJFF-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113109;MM113109;CCCOC(=O)CC;MCSINKKTEDDPNK-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113110;MM113110;CCC(=O)OCCN;SZXIMJCHKWYCHX-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113111;MM113111;CCC(=O)OCCO;SFAMKDPMPDEXGH-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113112;MM113112;CCC(=O)OCCF;AENGNZAZHKLISM-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113113;MM113113;NCCOC(=O)CN;MUJDTESRJZOAJT-UHFFFAOYSA-N;118.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113114;MM113114;NCCOC(=O)CO;FPWNJWWLQAXJAA-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113115;MM113115;O=C(CO)OCCO;WBVXRNIPAILLQM-UHFFFAOYSA-N;120.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113116;MM113116;CCCOC(=O)CF;IRWIXUQVVIFUPL-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113117;MM113117;NCCOC(=O)CF;GHIKVJDQZVMWEK-UHFFFAOYSA-N;121.11;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113118;MM113118;C=C(CC)OCOC;NCALCDSBVMUPEH-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113119;MM113119;C=C(CO)OCOC;VUHZNHSDJFJHLY-UHFFFAOYSA-N;118.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113120;MM113120;CCCOC(=N)NC;BTHWLLZEFICRLE-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113121;MM113121;CNC(=N)OCCN;DZACPVJEFHBIFI-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113122;MM113122;CNC(=N)OCCF;NNKQKVLVBNYRKA-UHFFFAOYSA-N;120.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113123;MM113123;N=C(NO)OCCN;MMYWLNPAQATNSM-UHFFFAOYSA-N;119.12;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113124;MM113124;CNC(=O)OCCN;SOOHKGFIEIVRHU-UHFFFAOYSA-N;118.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113125;MM113125;CNC(=O)OCCO;SCSYMLCLRSCCAE-UHFFFAOYSA-N;119.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113126;MM113126;CC=CC1=NC(=NO)CN1;PKOCJZWFMOBPDV-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113127;MM113127;O=C(NO)OCCO;YEDBGQZBUAPTEG-UHFFFAOYSA-N;121.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113128;MM113128;CC1C(CO)=NN=C1NN;FJVLQOWANHIFJD-UHFFFAOYSA-N;142.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113129;MM113129;C=CCCC(=C)CC;PQBYHQPDCJAKLG-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113130;MM113130;C=C(CC)CCC=O;VAQWCCUHRRVFSL-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113131;MM113131;C=C(CC)CCC#N;YJLYJVZRLFBDNN-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113132;MM113132;C=CCCC(=C)CO;RIMCSCNISOUKKO-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113133;MM113133;C=CCCC(=C)CF;YVSXFIDQFUJTEV-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113134;MM113134;C=C(CF)CCC=O;UXVDBTRNSQJRRF-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113135;MM113135;C=C(CF)CCC#N;RYQGGCDBGPHLAH-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113136;MM113136;C=CCCC(=O)CC;BSYCQORECWMSQX-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113137;MM113137;CCC(=O)CCC=O;KKOFYQBBUSZDKJ-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113138;MM113138;N#CCCC(=O)CO;JOPOEGDBCCVIND-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113139;MM113139;C=CCCC(=O)CF;QYMFIQUHSKYOEY-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113140;MM113140;C=CCCC(=N)NC;OJKMZKOIAHTCSW-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113141;MM113141;CN=C(N)CCC=O;YBKDLMSSPZFRAD-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113142;MM113142;C=CCCC(=N)NN;RMEPRTQIRGYTIK-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113143;MM113143;Cc1cncn1O;UJLRIEHDUWZXHF-UHFFFAOYSA-N;98.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113144;MM113144;N#CCCC(=N)NO;XNIPJMBYWDNLBL-UHFFFAOYSA-N;113.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113145;MM113145;COC(=N)NC(C)=NO;DFZQQVGHZBZDRB-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113146;MM113146;CNC(=O)CCC=O;BTPCDMQNDYDTLQ-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113147;MM113147;O=CCCC(=O)NO;FOPMVXKRQHOLDC-UHFFFAOYSA-N;117.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113148;MM113148;C=CCCC(=C)OC;NIQFWBVDKFVNNV-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113149;MM113149;C=C(CCC=O)OC;XZDOVJDIOCQZMW-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113150;MM113150;C=C(CCC#N)OC;PXJLROLOHBFRDO-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113151;MM113151;C=CCCC(=O)OC;SHCSFZHSNSGTOP-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113152;MM113152;CC(=NO)NNCC#N;ANKYQUVPASCMKL-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113153;MM113153;C=C(CN)CNC=N;GIORUMGNMOWXEN-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113154;MM113154;C=C(CN)CNC=O;OANUGKSVEUQWDO-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113155;MM113155;C=C(CO)CNC=N;QPWPQQOQECJSSX-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113156;MM113156;C=C(CO)CNC=O;FUQFKTBOWJGGLW-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113157;MM113157;CCC(=O)CN=CN;SWMHKBKVODFILD-UHFFFAOYSA-N;114.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113158;MM113158;CCC(=O)CNC=O;PMQMMDVXYSSGCD-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113159;MM113159;NC=NCC(=O)CO;AXAPUWCGIANAQI-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113160;MM113160;O=CNCC(=O)CO;XMYKWZWIHLDWFS-UHFFFAOYSA-N;117.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113161;MM113161;N=CNCC(=O)CF;AIOIZPHPNWCHED-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113162;MM113162;NNC(=NC=O)NC=O;JDJASJRGJSTNHT-UHFFFAOYSA-N;130.11;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113163;MM113163;CNC(=N)CNC=N;MPQVILXORFKSTN-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113164;MM113164;CNC(=N)CNC=O;FMAPRQDEAUNMCS-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113165;MM113165;N=CNCC(=N)NN;NYFYMUWAJBHKPF-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113166;MM113166;N=C(CNC=O)NN;MLWFSRZXMAOQTJ-UHFFFAOYSA-N;116.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113167;MM113167;N=CNCC(=N)NO;AYXBGBNNLMEDCZ-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113168;MM113168;N=C(CNC=O)NO;RLIVTSWYMZYIJD-UHFFFAOYSA-N;117.11;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113169;MM113169;CNC(=O)CNC=O;COGZAPYDIQVODZ-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113170;MM113170;NC=NCC(=O)NN;HVCCCIGHZSAXFB-UHFFFAOYSA-N;116.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113171;MM113171;N#CC=NN=CC1CN1;LSEJJWRRRJBPTC-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113172;MM113172;C=NNCC(=N)NC;FAOMIJNJOOVNNY-UHFFFAOYSA-N;114.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113173;MM113173;C=NNCC(=N)NN;XLSUXQVRXAMZIW-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113174;MM113174;C#CC(=O)NC(=N)CCO;JRSGGDWOPMCXHF-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113175;MM113175;C=C(CNC=N)OC;WTWUUEZJWUKIEO-UHFFFAOYSA-N;114.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113176;MM113176;C=C(CNC=O)OC;CCLJGDPYEMMWIK-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113177;MM113177;COC(=O)CN=CN;WVFPWZBAKJHSMM-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113178;MM113178;COC(=O)CNC=O;FTMKOMANDDIUSM-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113179;MM113179;C=COCC(=C)CC;KOWUEMVXISUXDM-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113180;MM113180;C=C(CC)COC=O;UJGONHHGCCNUJW-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113181;MM113181;C=C(CN)COC=O;IYXWATSAZVZMDJ-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113182;MM113182;C=COCC(=C)CF;URMMDRCDQOALQD-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113183;MM113183;C=COCC(=O)CC;JHDFDPCNDWGLEK-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113184;MM113184;CCC(=O)COC=O;LVBOCJPSYKQEEL-UHFFFAOYSA-N;116.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113185;MM113185;C=COCC(=O)CO;CZAQPTJQIIOEEC-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113186;MM113186;O=COCC(=O)CO;SFHGCKFCFHOQHX-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113187;MM113187;O=COCC(=O)CF;CERJDXNDDKVMSV-UHFFFAOYSA-N;120.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113188;MM113188;C=NOCC(=C)CC;WLSGUJJQZDXPRO-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113189;MM113189;CNC(=O)NC(=N)C=CF;BWZMXPKLXHYPSG-UHFFFAOYSA-N;145.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113190;MM113190;CNC(=N)COC=O;PYUHHIZQZGAPDW-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113191;MM113191;N=C(COC=O)NN;VSXUPXPUQSAWDK-UHFFFAOYSA-N;117.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113192;MM113192;CNC(=O)COC=O;YWALNBBPYJLWDH-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113193;MM113193;CN=C(C)NC(=O)NC=N;WELYVUJMMXOBDQ-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113194;MM113194;C=NN(C)C(=O)NC(C)=N;OQOKUEQKXVJFME-UHFFFAOYSA-N;142.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113195;MM113195;C=COCC(=O)NO;SXTDZDATKWDLMK-UHFFFAOYSA-N;117.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113196;MM113196;O=COCC(=O)NO;IDBNDQRUYRGIQM-UHFFFAOYSA-N;119.08;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113197;MM113197;C=NOCC(=N)NC;HNVMEMCYQJTUKP-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113198;MM113198;CNN=C(C)N(N)C=NO;CZEXBBJBEFPYTB-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113199;MM113199;C#CC(O)(CO)C(=N)NO;UHJNOQSLEGMRAM-UHFFFAOYSA-N;144.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113200;MM113200;C=NN(C)C=CC(C)=NO;JLVUJUYREWPEMK-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113201;MM113201;C=COCC(=C)OC;RPYDHCUCBZFNJX-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113202;MM113202;C=C(COC=O)OC;GOPCWPVFDVAETH-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113203;MM113203;C=NOCC(=C)OC;SRZQVWBWPUDNDX-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113204;MM113204;C=CCNC(=N)CC;DVQHAFRUWROPFL-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113205;MM113205;C=CCNC(=N)CN;GZKVIHCKAYZJHS-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113206;MM113206;NC(CO)=NCC=O;PUCQJHMQDQTVSY-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113207;MM113207;N#CC(O)C(=N)NC=CF;QRZATFGQEVUZMJ-UHFFFAOYSA-N;143.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113208;MM113208;CCC(=O)NCC=O;NBSUHOKXCZGPBO-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113209;MM113209;O=CCNC(=O)CO;JRJCQNKCWDHUBJ-UHFFFAOYSA-N;117.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113210;MM113210;N#CCNC(=O)CO;WIGSIJBOOYUOMN-UHFFFAOYSA-N;114.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113211;MM113211;O=CCNC(=O)CF;ZNHZSDTZPOPRSM-UHFFFAOYSA-N;119.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113212;MM113212;CNC(=N)NCC=O;UINRUHJQVFYWCO-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113213;MM113213;N=C(NO)NCC=O;NMPLNVOFLFNIBQ-UHFFFAOYSA-N;117.11;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113214;MM113214;CNC(=O)NCC=O;JAAYUSMVQLFAEH-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113215;MM113215;O=CCNC(=O)NO;VUYOZLDMSOEWJJ-UHFFFAOYSA-N;118.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113216;MM113216;COC(=O)NCC=O;ORGKXXNYFKQYHY-UHFFFAOYSA-N;117.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113217;MM113217;COC(=O)NCC#N;DRMGMMWXWKLKAI-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113218;MM113218;CCC(=N)NNC=N;YBOOTZUBHKBOQB-UHFFFAOYSA-N;114.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113219;MM113219;CCC(=N)NNC=O;LQTXVTDFPXEZBP-UHFFFAOYSA-N;115.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113220;MM113220;N=CNNC(=N)CN;UBRRJNNQGKGHBS-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113221;MM113221;N=C(CN)NNC=O;XRXWSKYXEAUOMH-UHFFFAOYSA-N;116.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113222;MM113222;N=CNNC(=N)CO;RJNRZOBXIISWMH-UHFFFAOYSA-N;116.12;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113223;MM113223;N=C(CO)NNC=O;SROGRFLGPAQJMM-UHFFFAOYSA-N;117.11;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113224;MM113224;N=CNNC(=N)CF;CXYDTACWOWYBMM-UHFFFAOYSA-N;118.12;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113225;MM113225;C=CC(C)N(C=NO)N=C;WHTCLBQRIHHCRA-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113226;MM113226;CCC(=O)NNC=O;JFVCRXBSLOKTNW-UHFFFAOYSA-N;116.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113227;MM113227;O=CNNC(=O)CO;BSLGUOMXLGULLA-UHFFFAOYSA-N;118.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113228;MM113228;N=CNNC(=O)CF;ADESTOXZYVRMIR-UHFFFAOYSA-N;119.1;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113229;MM113229;O=CNNC(=O)CF;VHHHDPILQGWQOY-UHFFFAOYSA-N;120.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113230;MM113230;CNC(=N)NNC=N;UZGQAGJLBDRSKF-UHFFFAOYSA-N;115.14;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113231;MM113231;CNC(=N)NNC=O;ZIJVVEWAGOKLKD-UHFFFAOYSA-N;116.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113232;MM113232;N=CNNC(=N)NN;IPJHBJNXCGQZRN-UHFFFAOYSA-N;116.13;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113233;MM113233;N=C(NN)NNC=O;UKRSDARKEWGPQM-UHFFFAOYSA-N;117.11;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113234;MM113234;N=CNNC(=N)NO;PAUUYMONDVZJLD-UHFFFAOYSA-N;117.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113235;MM113235;N=C(NO)NNC=O;WICKLNPLKVTGAP-UHFFFAOYSA-N;118.1;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113236;MM113236;CNC(=O)NNC=N;UWGWPDIMWZLHTA-UHFFFAOYSA-N;116.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113237;MM113237;N=CNNC(=O)NN;GWNMHZBPISBPPJ-UHFFFAOYSA-N;117.11;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113238;MM113238;NNC(=O)NNC=O;KNJBKLIQKBCMDT-UHFFFAOYSA-N;118.1;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113239;MM113239;N=CNNC(=O)NO;BYRSARAESLCHGH-UHFFFAOYSA-N;118.1;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113240;MM113240;O=CNNC(=O)NO;CCILNFBBWXFZSL-UHFFFAOYSA-N;119.08;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113241;MM113241;COC(=N)NNC=N;DKZDACMWWCVIGR-UHFFFAOYSA-N;116.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113242;MM113242;COC(=O)NNC=N;FXVJYBZCNNWTLB-UHFFFAOYSA-N;117.11;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113243;MM113243;COC(=O)NNC=O;HOWHQKLXLVYNEC-UHFFFAOYSA-N;118.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113244;MM113244;CCC(=O)NOC=O;GPUADIGIIBEGFK-UHFFFAOYSA-N;117.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113245;MM113245;O=CONC(=O)CO;BDQJGEXXTAFQDI-UHFFFAOYSA-N;119.08;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113246;MM113246;O=CONC(=O)CF;YHJININOJCKLTI-UHFFFAOYSA-N;121.07;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113247;MM113247;N=C(NN)NOC=O;LMOBZMJWPHQTMU-UHFFFAOYSA-N;118.1;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113248;MM113248;NNC(=O)NOC=O;WSYSAFIGSQLKCL-UHFFFAOYSA-N;119.08;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113249;MM113249;O=CONC(=O)NO;KHDQJJJVGIDSNA-UHFFFAOYSA-N;120.06;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113250;MM113250;COC(=N)NOC=O;WCXAQGPKRPFDPE-UHFFFAOYSA-N;118.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113251;MM113251;COC(=O)NOC=O;GBGDIHQHCUEZKK-UHFFFAOYSA-N;119.08;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113252;MM113252;C=CCOC(=C)CC;CJLNCYZVKFYJFJ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113253;MM113253;C=C(CC)OCC=O;KVHVPLPUJUQNCH-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113254;MM113254;C=CCOC(=C)CF;WCSJKTURLRDAJT-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113255;MM113255;C=C(CF)OCC#N;RRRYVHANADBTJT-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113256;MM113256;C=CCOC(=O)CC;XRFWKHVQMACVTA-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113257;MM113257;N#CCOC(=O)CO;XWXTUFKMALEVCD-UHFFFAOYSA-N;115.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113258;MM113258;C=CCOC(=O)CF;KPJCWOXNYPYSPJ-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113259;MM113259;O=CCOC(=O)CF;XVXSRMMZDFDQIE-UHFFFAOYSA-N;120.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113260;MM113260;C=CCOC(=N)NC;DSLOEZCIVAEEKI-UHFFFAOYSA-N;114.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113261;MM113261;CNC(=N)OCC=O;GLTBSBGQTJBFCK-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113262;MM113262;CNC(=O)OCC#N;PRYDXPXOWFNILJ-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113263;MM113263;O=CCOC(=O)NO;ALFQEWVMZHVEIL-UHFFFAOYSA-N;119.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113264;MM113264;N#CCOC(=O)NO;XFZUKMVZNCKEAV-UHFFFAOYSA-N;116.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113265;MM113265;COC(=O)OCC=O;RMJLTUIHDMXZSL-UHFFFAOYSA-N;118.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113266;MM113266;CCC(=O)ONC=O;KVEDBHQSMKIRNZ-UHFFFAOYSA-N;117.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113267;MM113267;Nc1c(F)c(O)n(O)c1N;UFCWPIKKBVWUFC-UHFFFAOYSA-N;147.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113268;MM113268;O=CNOC(=O)CO;CGWWFZJSTRPOGW-UHFFFAOYSA-N;119.08;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113269;MM113269;O=CNOC(=O)CF;UDGWSWNIBWKSJA-UHFFFAOYSA-N;121.07;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113270;MM113270;NNC(=O)ONC=O;RDRKYQCAWZRPRU-UHFFFAOYSA-N;119.08;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113271;MM113271;COC(=O)ONC=O;AMISQAMRZOCHHG-UHFFFAOYSA-N;119.08;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113272;MM113272;C#CCCC(=C)CC;QWOGKBATIQJIFF-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113273;MM113273;C#CCCC(=C)CN;UIZHTIQBQYMPNN-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113274;MM113274;C#CCCC(=C)CO;FGWIECDWQLBXNF-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113275;MM113275;C#CCCC(=C)CF;YSPLXNYTEOZBQX-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113276;MM113276;C#CCCC(=O)CC;IPYXVZSAIISGFS-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113277;MM113277;C#CCCC(=O)CF;VLYOADLWHYBTSL-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113278;MM113278;C#CCCC(=N)NC;NYHSAHIUJBFMTF-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113279;MM113279;C#CCCC(=O)NC;DDMPIPXZFYRWPW-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113280;MM113280;CCNN=CC(=NO)NN;KNDQUQQNXMRRBH-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113281;MM113281;C#CCCC(=O)NO;VUDNHHHBHABUFM-UHFFFAOYSA-N;113.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113282;MM113282;C#CCCC(=C)OC;APRCULYZRZLNIV-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113283;MM113283;C#CCCC(=O)OC;WCSNOLUUFIWIHY-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113284;MM113284;C#CCNC(=N)CC;KRXDTSHMJHTPQO-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113285;MM113285;C#CCNC(=N)CN;OARHDQDTTJKVHZ-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113286;MM113286;C#CCNC(=N)CO;RAPJMLBUNPJFOH-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113287;MM113287;C#CCNC(=O)CO;WWZWOPGKMJKTRJ-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113288;MM113288;C#CCNC(=O)CF;HBCCQHXNCZOVFT-UHFFFAOYSA-N;115.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113289;MM113289;C#CCNC(=N)NN;KFAWCCVAEVOGQF-UHFFFAOYSA-N;112.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113290;MM113290;C#CCNC(=N)NO;GHRGHGPYUSGMLR-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113291;MM113291;C#CCNC(=O)NC;QMWIAYLYKXMVPJ-UHFFFAOYSA-N;112.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113292;MM113292;CNN(C=O)C(=N)NC=O;PWXVCGISXZISSR-UHFFFAOYSA-N;144.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113293;MM113293;C#CCNC(=O)NO;FCFHAHHFGMATTQ-UHFFFAOYSA-N;114.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113294;MM113294;C#CCOC(=C)CC;LMTJYYPWXNZOLL-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113295;MM113295;C#CCOC(=C)CF;CWKIKEKBPRQARJ-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113296;MM113296;C#CCOC(=O)CC;BGRYSGVIVVUJHH-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113297;MM113297;C#CCOC(=O)CF;QAMQRYLIMFSKKB-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113298;MM113298;C=CC(=C)CCCC;UIUAYGPSOKPOKY-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113299;MM113299;C=CC(=C)CCCN;YEZPKMQWENHGPJ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113300;MM113300;CC#CC1CCC(=NO)N1;CTDPVRLIURVWLK-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113301;MM113301;C=CC(=C)CCCF;BHFUEFGNBLELDG-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113302;MM113302;C=C(C=O)CCCC;IWEWQGKFUYQGSN-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113303;MM113303;C=C(C#N)CCCC;ZEGCGUNSDMAYRF-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113304;MM113304;C=C(C#N)CCCO;PHRMBZGQQKLFOP-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113305;MM113305;C=C(C#N)CCCF;ZBKCDSNXKVEUBL-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113306;MM113306;C=CC(=O)CCCC;OYLCUJRJCUXQBQ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113307;MM113307;C=CC(=O)CCCO;KRRNNCQZDIDZIT-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113308;MM113308;CCCCC(=O)C=O;QHOSFZIXOKVGHK-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113309;MM113309;N#CC(=O)CCCO;SUZACLPNNLXQPF-UHFFFAOYSA-N;113.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113310;MM113310;CNCCC(=O)C=O;MNKXJNHEEOZWPI-UHFFFAOYSA-N;115.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113311;MM113311;CNCCC(=O)C#N;HBYDDWKMYBZTKC-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113312;MM113312;C=CC(=C)CCOC;DOBLCJCGIYFTGG-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113313;MM113313;C=C(C#N)CCOC;VHTDPFZJYKARNC-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113314;MM113314;C=CC(=O)CNCC;XRHQNDALBRYJHC-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113315;MM113315;C=CC(=C)COCC;YEDLAIWRIWDUQL-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113316;MM113316;C=C(C=O)COCC;KMVOJFHBMYZKSQ-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113317;MM113317;C=C(C#N)COCC;VPVTZLRMGSHNFX-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113318;MM113318;C=CC(=O)COCC;WPHHVYLAVHZZFK-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113319;MM113319;C=CC(=N)NCCN;JGJJJJJIOHRDTQ-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113320;MM113320;C=CC(=N)NCCO;FLAMPKZVWJQPTJ-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113321;MM113321;NN=CC1=CCC(=NO)C1;JPPISLASCCDECQ-UHFFFAOYSA-N;139.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113322;MM113322;N#CC=NN=CCN1CC1;FOEMCKWJZQGRDV-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113323;MM113323;N#CC(=N)NCCF;UDXHTLVZYCOHSZ-UHFFFAOYSA-N;115.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113324;MM113324;C=NN1C=CC(=NO)CC1;WCNIYPWTXMXAIQ-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113325;MM113325;C=CC(=O)NCCN;HXJGFDIZSMWOGY-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113326;MM113326;NC1C=NOC1=O;UHGQYUYKEMROCK-UHFFFAOYSA-N;100.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113327;MM113327;CCCNC(=O)C=O;NYJBNPQKFSUDHG-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113328;MM113328;CCCNC(=O)C#N;FSYVTBOMYFSZNA-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113329;MM113329;O=CC(=O)NCCO;GLOFXNGZHJIMQB-UHFFFAOYSA-N;117.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113330;MM113330;O=CC(=O)NCCF;ATZCPYYWVBUVBW-UHFFFAOYSA-N;119.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113331;MM113331;N#CC(=O)NCCF;OUYNSUGDOODXMQ-UHFFFAOYSA-N;116.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113332;MM113332;N=C(NO)ONC(N)=O;LFUILUOXQAAQLF-UHFFFAOYSA-N;134.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113333;MM113333;N#CC(O)CNC=NO;RXBNECQNWJYTLA-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113334;MM113334;C=CC(=O)NOCC;IIVTYEDFYGVHMR-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113335;MM113335;Nc1c(O)n(O)c(=O)n1N;WBOLBVCMUPEPKU-UHFFFAOYSA-N;146.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113336;MM113336;C=CC(=C)OCCC;VPQPPTUHISAYED-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113337;MM113337;C=CC(=C)OCCO;AHUZUETUQJEGOY-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113338;MM113338;C=CC(=C)OCCF;QXMSUMXMJQNABK-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113339;MM113339;C=C(C=O)OCCC;FPBIKMOJDUSGQD-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113340;MM113340;C=C(C#N)OCCF;QCUAJZMEGMAAPX-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113341;MM113341;C=CC(=O)OCCC;PNXMTCDJUBJHQJ-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113342;MM113342;C=CC(=O)OCCN;UGIJCMNGQCUTPI-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113343;MM113343;C=CC(=O)OCCO;OMIGHNLMNHATMP-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113344;MM113344;O=CC(=O)OCCO;XRKCKFUXRCRVHE-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113345;MM113345;N#CC(=O)OCCO;OQXCGFYGXUKHBI-UHFFFAOYSA-N;115.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113346;MM113346;O=CC(=O)OCCF;RINCZBIWFGOMTL-UHFFFAOYSA-N;120.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113347;MM113347;C=CC(=C)OCOC;WYWDTOKUWFFYNZ-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113348;MM113348;C=CC(=O)OCOC;SINFYWWJOCXYFD-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113349;MM113349;COCOC(=O)C=O;QCOCRIOTQQDZSM-UHFFFAOYSA-N;118.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113350;MM113350;C=CCCC(=C)C=C;DOCZMKSURIPHOA-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113351;MM113351;C=CC(=C)CCC#N;DNCSUAQLEITESZ-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113352;MM113352;C=CCCC(=C)C#N;JWSXYEPOEPYVDR-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113353;MM113353;C=C(C#N)CCC#N;NGCJVMZXRCLPRQ-UHFFFAOYSA-N;106.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113354;MM113354;C=CC(=O)CCC#N;UQBRUJRODKYHLU-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113355;MM113355;C=CC(=C)CNC=N;SVDFNIRJXTVCBC-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113356;MM113356;N=C(NC=O)N(N)C=O;OHVHNXKSIKHDBW-UHFFFAOYSA-N;130.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113357;MM113357;C=C(C=O)CNC=N;YPSBJXMCPMSZJR-UHFFFAOYSA-N;112.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113358;MM113358;C=C(C=O)CNC=O;HCGOMEJXBZYJDD-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113359;MM113359;C=CC(=O)CNC=N;WGXVFHIVIAZGPE-UHFFFAOYSA-N;112.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113360;MM113360;C=CC(=O)CNC=O;NNASCGPVHYDYPI-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113361;MM113361;N=CNCC(=O)C=O;OSRUSGDJHKCKKU-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113362;MM113362;O=CNCC(=O)C=O;GDSHNSXFFVSREN-UHFFFAOYSA-N;115.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113363;MM113363;C=CC(=C)CNN=C;RLXJTYLQOGNIDC-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113364;MM113364;C=COCC(=C)C=C;MWJPBCLDLVLKJV-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113365;MM113365;C=CC(=C)COC=O;OOZIHIDKDDJYPP-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113366;MM113366;C=COCC(=C)C=O;MVSPDNABJZLTGD-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113367;MM113367;C=COCC(=C)C#N;QVINKEOJZARHHZ-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113368;MM113368;C=C(C#N)COC=O;UWIKZWPLYBFOFI-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113369;MM113369;C=COCC(=O)C=C;LNVBTHLIWWWDEC-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113370;MM113370;C=COCC(=O)C#N;BKXRBOODBCFLSQ-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113371;MM113371;O=COCC(=O)C=O;VXUMQPKQCOFGHC-UHFFFAOYSA-N;116.07;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113372;MM113372;N#CC(=O)COC=O;XFYUGANRIXNBMK-UHFFFAOYSA-N;113.07;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113373;MM113373;C=CC(=C)CON=C;ALCPANKZMZWAMH-UHFFFAOYSA-N;111.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113374;MM113374;C=NOCC(=C)C#N;URPZRZOLNIZYSC-UHFFFAOYSA-N;110.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113375;MM113375;C=CCNC(=N)C=C;ZPHAAVZLQOXPNF-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113376;MM113376;C=CC(=N)NCC=O;GNDMMXAXYRIRJC-UHFFFAOYSA-N;112.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113377;MM113377;N#CC1=CC(F)C(=N)N1;LKFLYUZMXGRIQP-UHFFFAOYSA-N;125.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113378;MM113378;C#CC1CNC(=NO)N1;GKYJBACTUGDVCX-UHFFFAOYSA-N;125.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113379;MM113379;N#CC(=O)NCC=O;IPDZXGLUMAAKBE-UHFFFAOYSA-N;112.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113380;MM113380;C=CC(=N)NNC=O;ZTMQNIQCPDKUNW-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113381;MM113381;N=CNNC(=N)C=O;DPJKBKBVISAARB-UHFFFAOYSA-N;114.11;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113382;MM113382;N#CC(=N)NNC=N;HSTPAVCBXFBPFR-UHFFFAOYSA-N;111.11;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113383;MM113383;C#Cc1nc(CF)c[nH]1;ACRBSVUPOZPYIJ-UHFFFAOYSA-N;124.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113384;MM113384;CC(=CC=NO)N1CC1;YYVJCLHNAGHZQM-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113385;MM113385;C=CC(=O)NNC=N;VSKQJSLUAKJNPG-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113386;MM113386;C=CC(=O)NNC=O;ZTCGEOZKAWILDY-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113387;MM113387;N#CC(=O)NNC=N;CCTKSUKTTPTAIG-UHFFFAOYSA-N;112.09;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113388;MM113388;O=CNNC(=O)C=O;ZMPNGMBQBYTBDJ-UHFFFAOYSA-N;116.08;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113389;MM113389;CC(=N)NC(=O)C#CC=O;AOAAUVOMPVKRQI-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113390;MM113390;CONC(=N)ONC(N)=O;WIKJFEMXXKJPOC-UHFFFAOYSA-N;148.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113391;MM113391;C=CC(=O)NOC=O;NKZSHHHMQTVBHM-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113392;MM113392;C=CCOC(=C)C=C;CAMJRYQZEHAWQF-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113393;MM113393;C=CC(=C)OCC=O;GZNBWQLKBZZXFU-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113394;MM113394;C=CC(=C)OCC#N;AMCKUOGOBQNYTJ-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113395;MM113395;C=CCOC(=C)C=O;GYARGCMHWGQLLN-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113396;MM113396;C=CCOC(=C)C#N;DVEHKSUKRFAUHZ-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113397;MM113397;C=CCOC(=O)C=C;QTECDUFMBMSHKR-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113398;MM113398;C=CCOC(=O)C#N;VNUGUFKJRPDTPJ-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113399;MM113399;C=CC(=O)ONC=O;MWLTVYXTYYXGNL-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113400;MM113400;C#CCCC(=C)C=C;YASZJFWKYYGZSV-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113401;MM113401;C#CCCC(=C)C=O;LMGLANVIXLTURQ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113402;MM113402;C#CCCC(=C)C#N;KUNZNFFLPZAPAJ-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113403;MM113403;C#CCCC(=O)C=C;DTDNXVUTYUVZME-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113404;MM113404;C#CCCC(=O)C#N;HDSAUXJULOYVLD-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113405;MM113405;CCC(=N)NC(=O)NC=N;FBMHLBGQMPIVHJ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113406;MM113406;C#CCNC(=O)C=C;YGMMGFRCYBLJST-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113407;MM113407;C#CCNC(=O)C=O;SWCYNLMDIXKYRC-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113408;MM113408;C#CCNC(=O)C#N;AXXXCOAFTZJMQP-UHFFFAOYSA-N;108.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113409;MM113409;C#CCOC(=C)C=C;VLSYSQKMTRKBOG-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113410;MM113410;C#CCOC(=C)C#N;MFEKSQMQMIZGRA-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113411;MM113411;C#CCOC(=O)C=C;WPBNLDNIZUGLJL-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113412;MM113412;C#CCOC(=O)C#N;UWLQAVMDZNLNBG-UHFFFAOYSA-N;109.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113413;MM113413;C#CC(=C)CCCC;AYTQGRZMSLJXPQ-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113414;MM113414;C#CC(=C)CCCN;WHVQSLWTQSXJQH-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113415;MM113415;C#CC(=C)CCCO;NYFZUNODSUPASK-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113416;MM113416;C#CC(=C)CCCF;NLVVKLITHBHXMD-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113417;MM113417;C#CC(=O)CCCC;PHUNISWRLXRMIN-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113418;MM113418;C#CC(=C)CCOC;XXNKBPLJJAMTTN-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113419;MM113419;C#CC(=O)CCOC;SFQGGLVIBNEUOH-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113420;MM113420;C#CC(=C)CNCC;ATZDNECCLBPVHP-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113421;MM113421;C#CC(=C)COCC;ONIIYCZWDZDKAR-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113422;MM113422;C#CC(=N)NCCN;CYIZXLNQLMJZIV-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113423;MM113423;C#CC(=N)NCCO;XAVUESHQMMLPKO-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113424;MM113424;C#CC(=O)NCCN;PPXDNHPXZMDCMP-UHFFFAOYSA-N;112.13;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113425;MM113425;C#CC(=O)NCCO;QVIGWJUGOLFOCX-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113426;MM113426;C#CC(=N)NNCC;NMKFMBIMOAWSRC-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113427;MM113427;CC#CC(=O)NC(=N)CC;LEDQVSTYQVLYOH-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113428;MM113428;C#CC(=C)OCCC;FXPYRPRXDNKBAM-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113429;MM113429;C#CC(=C)OCCO;YHNCWAQFVSFKFR-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113430;MM113430;C#CC(=C)OCCF;YGMQVZYSCBIZHG-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113431;MM113431;C#CC(=O)OCCC;WVCXWTWZTMGPMN-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113432;MM113432;C#CC(=O)OCCN;JRLJMFVLIFNZIA-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113433;MM113433;C#CC(=C)CCC=C;MEDRQFLVWXVXPH-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113434;MM113434;C#CC(=C)CCC#N;MJDYFAHXWZTASL-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113435;MM113435;C#CC(=O)CCC=C;FHLOJCCLLKFFTD-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113436;MM113436;C#CC(=C)CNC=N;RGHKEULCXJORRC-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113437;MM113437;C#CC(=C)CNC=O;JGVTWBNVXVMMLD-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113438;MM113438;C#CC(=O)CNC=N;PNUWJZDKDMWIIY-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113439;MM113439;C#CC(=O)CNC=O;JQSOCRSFORSMRM-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113440;MM113440;C#CC(=C)COC=C;VWOYUIYINMMRIY-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113441;MM113441;C#CC(=C)COC=O;FKCDJJFCNIZQDV-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113442;MM113442;C#CC(=C)CON=C;LILIZQUNOKOAOT-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113443;MM113443;C#CC(=N)NCC=O;ZNFVWYMFMLESJJ-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113444;MM113444;C#CC(=O)NCC=O;SLSNVKNVVYOPET-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113445;MM113445;C#CC(=O)NNC=N;JIEHLLHJKVMCAA-UHFFFAOYSA-N;111.1;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113446;MM113446;C#CC(=O)NNC=O;ILTPDEZAGGSIJH-UHFFFAOYSA-N;112.09;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113447;MM113447;C#CC(=O)OCC=C;UYEIEPSGKUVQPP-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113448;MM113448;C#CC(=O)OCC=O;CELFWUVARNIKGY-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113449;MM113449;C#CCCC(=C)C#C;HTAJWZVSSICREC-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113450;MM113450;C#CCCC(=O)C#C;VUMSNGLUKQLZEC-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113451;MM113451;C#CCNC(=O)C#C;IJBRZAUIAANDGQ-UHFFFAOYSA-N;107.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113452;MM113452;C#CCOC(=C)C#C;MYWULUCWAAVOQF-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113453;MM113453;CC=CCC(C)CC;VIHUHUGDEZCPDK-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113454;MM113454;CCC(C)CC=CF;XRUSIDLWUHQXOC-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113455;MM113455;CC=CCC(C)CN;ZFTBTVAYKSIGLF-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113456;MM113456;CC(CN)CC=CF;HYLQGWDBFAYALK-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113457;MM113457;COCC(N)=CC(C)=NO;WFBAQWPUBVEHKB-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113458;MM113458;C=NN(C=NO)CC(=C)C;YBLKZRMCRVQCEW-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113459;MM113459;CC=CCC(C)CF;WGFHHCUUHXWTDG-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113460;MM113460;CC(CF)CC=CF;LMHDLQJGEVWRRB-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113461;MM113461;CC=CCC(N)CC;IORXGJKYUYUXNB-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113462;MM113462;CCC(N)CC=CF;NZFXTENHCPNJNM-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113463;MM113463;CC=CCC(N)CN;HMGQJWFSUZCAIU-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113464;MM113464;NCC(N)CC=CF;OSNXOXCEHZCNFK-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113465;MM113465;CC=CCC(N)CF;ICHONQFGRHFWDG-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113466;MM113466;C=CN(O)C(=NO)NOC;XZTAOXIPYHBTEW-UHFFFAOYSA-N;147.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113467;MM113467;CCC(O)CC=CF;XQCLFHXSMUIVCD-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113468;MM113468;CC=CCC(O)CO;DBRGGEXIRVNLPF-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113469;MM113469;OCC(O)CC=CF;STIXALMYHASBRO-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113470;MM113470;CC=CCC(O)CF;YPHYMLULMYADBK-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113471;MM113471;OC(CF)CC=CF;OYUDXVQYCHAOSP-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113472;MM113472;CC=CCC(F)CC;XMMCPGIRUWMARB-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113473;MM113473;CCC(F)CC=CF;IVTKBFNQUIZWKV-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113474;MM113474;CC=CCC(F)CN;UOJLUAHOOLNEPI-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113475;MM113475;CC=CCC(F)CO;NVTCCHXNHOLPEV-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113476;MM113476;CC=CCC(F)CF;NRSZFWPTBLOHHR-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113477;MM113477;FC=CCC(F)CF;NODYAQBWTWVJNH-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113478;MM113478;CCC(C)CC=NN;AHFMHPLDFUBUOA-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113479;MM113479;CN(N)C(=NO)OCCO;PSGTWISAONHBIU-UHFFFAOYSA-N;149.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113480;MM113480;COC(=NO)N(N)CCO;IBPDFNSFNSBKHB-UHFFFAOYSA-N;149.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113481;MM113481;NCC(N)CC=NO;RMDCPZYYFIIHMH-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113482;MM113482;NC(CO)CC=NO;HGZROOLTZXOVHO-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113483;MM113483;NC(CF)CC=NO;ALEWXSJVOOPTTO-UHFFFAOYSA-N;120.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113484;MM113484;CC1N=C(NO)C=C1C#N;GBUCMQGBQOKTDM-UHFFFAOYSA-N;137.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113485;MM113485;CCC(O)CC=NO;RPYJWZZTTORSSM-UHFFFAOYSA-N;117.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113486;MM113486;NCC(O)CC=NO;NQWUBNRWWSNTHN-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113487;MM113487;NN=C1CCC(=NO)NC1;WXHIGJJWEWDIIR-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113488;MM113488;OCC(O)CC=NO;FNBQCOJMKKHRHB-UHFFFAOYSA-N;119.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113489;MM113489;CCC1=NN=C(NO)NO1;LNCAZKUWQXFYIG-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113490;MM113490;CCC(F)CC=NO;QNWZTIZZFWYODX-UHFFFAOYSA-N;119.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113491;MM113491;CC=CCC(C)NC;ZAWKPFAZDXNRMW-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113492;MM113492;CNC(C)CC=CF;SCZROTWAMIFGFC-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113493;MM113493;CC=CCC(C)OC;HSEWGHPKSSQFPC-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113494;MM113494;COC(C)CC=CF;FNNWDFBMWUCDOZ-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113495;MM113495;COC(C)CC=NN;UTHVFUOPPNEKTR-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113496;MM113496;CCC(C)N=CNC;OADBUSRLMUNFCY-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113497;MM113497;CCC(C)N=CNN;SJOLYADFWDSNBC-UHFFFAOYSA-N;115.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113498;MM113498;CN=CNC(C)CN;XSTHFAMIIISVSX-UHFFFAOYSA-N;115.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113499;MM113499;CC(CO)N=CNN;OXYCWHFIZKVBIW-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113500;MM113500;CN=CNC(C)CF;YNVRDEOIBQXTBF-UHFFFAOYSA-N;118.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113501;MM113501;CC(CF)N=CNN;BBZCANHBARPVNN-UHFFFAOYSA-N;119.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113502;MM113502;CC=NNC(C)CC;KFZMQOPLXLBJFV-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113503;MM113503;CC=NNC(C)CF;FSWQLEOZCMGFSJ-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113504;MM113504;CC=COC(C)CC;HOXMZWFMXASTDG-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113505;MM113505;CCC(C)OC=CF;ACBMMMLCPOFOQU-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113506;MM113506;CC=COC(C)CN;BQZANBZORNRYHM-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113507;MM113507;CC=COC(C)CO;PREHHWPLOMCPEK-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113508;MM113508;CC=COC(C)CF;JUIUIQOXOKZTEF-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113509;MM113509;CC(CF)OC=CF;JUULDNOEOFHOLL-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113510;MM113510;CC(=NO)NC=CF;ABQYELQAGOTQQN-UHFFFAOYSA-N;118.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113511;MM113511;CCC(C)OC=NO;DVJVRCCWDHQPSV-UHFFFAOYSA-N;117.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113512;MM113512;CC(CN)OC=NO;KQFBTQAMKXLBKL-UHFFFAOYSA-N;118.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113513;MM113513;CC(CO)OC=NO;BCOROWKJYXUHLF-UHFFFAOYSA-N;119.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113514;MM113514;N=C(C=NN)NC=NO;NEWAEXPLAWTNDL-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113515;MM113515;CC(CF)OC=NO;CDNUQIPNAIBOSE-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113516;MM113516;CC=COC(C)OC;UWBQPRFMSUTUBT-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113517;MM113517;COC(C)OC=CF;FQWZHVRJKYJPJM-UHFFFAOYSA-N;120.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113518;MM113518;CC=NOC(C)CC;OVCVVYMCIBFLSA-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113519;MM113519;CC=NOC(C)CF;IZIDRBIOVWEGKQ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113520;MM113520;CC=CCN(C)CC;JMBHWLKQSWORJX-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113521;MM113521;CCN(C)CC=CF;KLPJNGWRFQOBAH-UHFFFAOYSA-N;117.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113522;MM113522;C=CC(C)CC=CC;QIWJMWAOAINRPL-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113523;MM113523;C=CC(C)CC=CF;KASNTLTUAWCHLG-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113524;MM113524;CC=CCC(C)C=O;QGHYUPCCGBNRMU-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113525;MM113525;CC=CCC(C)C#N;DCXQIXGQSQZWPC-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113526;MM113526;CC(C=O)CC=CF;DFFWTUYYUPYUCJ-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113527;MM113527;CC(C#N)CC=CF;JYVCNWDEKSHQRI-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113528;MM113528;C=CC(N)CC=CC;PNDPWNKRGMVZKX-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113529;MM113529;N=C1NC(=O)CCN1N;GGYRIHLRNCFOFL-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113530;MM113530;C=CC(O)CC=CF;BBGAEWXRSLQZIV-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113531;MM113531;CC=CCC(O)C#N;NIRKGJSBKHNELY-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113532;MM113532;C=CC(F)CC=CC;JTKLAZDWSIOIHF-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113533;MM113533;C=CC(F)CC=CF;AGRZOMSNUHQLAZ-UHFFFAOYSA-N;118.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113534;MM113534;CC=CCC(F)C=O;TWRBXEBOXKAGOD-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113535;MM113535;CC=CCC(F)C#N;YSUBKQFBVCSDOG-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113536;MM113536;C=CC(C)CC=NN;WTZZHZXLWZAOHX-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113537;MM113537;C=CC(C)CC=NO;UVRHJJAQFWKFRT-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113538;MM113538;O=CC(O)CC=NO;AXIWAXZNDUKMOG-UHFFFAOYSA-N;117.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113539;MM113539;N#CC(O)CC=NO;HABRFIWUVOOKEU-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113540;MM113540;C=CC(F)CC=NN;XLHPHXBJWJAGEU-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113541;MM113541;C=CC(F)CC=NO;UMZORPZWGLTUHA-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113542;MM113542;C=CC(C)NC=NC;WSTFDXZNUZYKMX-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113543;MM113543;CN=CNC(C)C#N;ZXLPJWHVXYZVCJ-UHFFFAOYSA-N;111.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113544;MM113544;C=CC(C)NN=CC;GDILWUJKAMSFQD-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113545;MM113545;C=CC(C)OC=CC;RUPRGKPYFHWYKK-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113546;MM113546;C=CC(C)OC=CF;AUPSKJCIDMHUKO-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113547;MM113547;CC=COC(C)C=O;KFOCVIWINXWZJC-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113548;MM113548;CC=COC(C)C#N;VGNMGEQJAXTNEU-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113549;MM113549;CC(C=O)OC=CF;CNOVNFSTLAIMKY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113550;MM113550;CC(C#N)OC=CF;IFMDILXGAOYBMY-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113551;MM113551;CCn1cnc(O)c1N;KNYKBVRGNQICFJ-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113552;MM113552;C=CC(C)OC=NO;BYILFSJQGVTDFD-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113553;MM113553;CC(C=O)OC=NO;KGOPQAFMGBORJR-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113554;MM113554;C=CC(C)ON=CC;JSWFETCMJXZRIP-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113555;MM113555;ON=C1CC(CF)=CN1;QPDUYPWUXZMYJR-UHFFFAOYSA-N;130.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113556;MM113556;CC=NOC(C)C#N;GOHSOPNZNXBFPY-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113557;MM113557;CN(C=N)CC=CF;TYRKZYQVNBIACG-UHFFFAOYSA-N;116.14;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113558;MM113558;CC=CCN(N)C=N;WXUMYYVNCDLTRH-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113559;MM113559;N=CN(N)CC=CF;PCTFJSKHUFJTDD-UHFFFAOYSA-N;117.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113560;MM113560;NN(C=O)CC=CF;MBPVKTTZWYFYBS-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113561;MM113561;CN(C=N)CC=NN;HBRQRMCVNCYFNO-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113562;MM113562;CN(C=N)CC=NO;CKKAHMROOYZOMO-UHFFFAOYSA-N;115.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113563;MM113563;CN(C=O)CC=NN;YAHQBYISOCNFNO-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113564;MM113564;CN(C=O)CC=NO;GYNIPUVJWHPMME-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113565;MM113565;N=CN(N)CC=NN;ZROPJYQMCUSUQQ-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113566;MM113566;NN=CCN(N)C=O;LNRVKGWCHKDGDQ-UHFFFAOYSA-N;116.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113567;MM113567;NN(C=O)CC=NO;ZXICSJUGZLRMRC-UHFFFAOYSA-N;117.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113568;MM113568;C=NN(C)CC=CC;YAEOYPTYOYLKPH-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113569;MM113569;C=NN(C)CC=CF;JEQHYBXUGHZLQG-UHFFFAOYSA-N;116.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113570;MM113570;CN=CNN(C)C=N;QLWRPVGVBQYWIK-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113571;MM113571;CN(C=N)NC=NN;TXJNVHUIYJUBQT-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113572;MM113572;CN(C=N)NC=NO;MEJNGTIFGGWNFS-UHFFFAOYSA-N;116.12;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113573;MM113573;CN=CNN(C)C=O;RANSTZHISXDGHD-UHFFFAOYSA-N;115.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113574;MM113574;N=C(NC=O)NOC(N)=O;BKLXOMUESXNUBJ-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113575;MM113575;CN(C=O)OC=NO;IQRNGHAPWPLNEE-UHFFFAOYSA-N;118.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113576;MM113576;C#CC(C)CC=CC;QLDCVFKGMYXPNQ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113577;MM113577;C#CC(C)CC=CF;RJMVUIHZGDZZJI-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113578;MM113578;C#CC(N)CC=CC;ATMQYTYRKDHLGC-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113579;MM113579;C#CC(O)CC=CC;MAIAJIOFZLUVCD-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113580;MM113580;C#CC(O)CC=CF;BIUBIOGHZHNWEV-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113581;MM113581;C#CC(F)CC=CC;FPMNLNFVWRAXAT-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113582;MM113582;C#CC(C)CC=NN;QRFKQJPBBLYCEE-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113583;MM113583;C#CC(C)CC=NO;UHBFCTIRENHQJQ-UHFFFAOYSA-N;111.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113584;MM113584;CNNC(=O)NC(=O)CO;OSBQETBHCVNKDZ-UHFFFAOYSA-N;147.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113585;MM113585;C#CC(F)CC=NN;DPZRNQDJKWYDNS-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113586;MM113586;C#CC(F)CC=NO;UIGKDLBDSLDICG-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113587;MM113587;C#CC(C)NC=NC;GMSCDLBDADQUFX-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113588;MM113588;C#CC(C)OC=CC;SAZCNBGKOAGULS-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113589;MM113589;C#CC(C)OC=CF;JXZNEHIOCXOLLB-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113590;MM113590;C#CC(C)ON=CC;UQUCXTPSXWPTLZ-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113591;MM113591;C=C(CC)CC=CC;HXLAPKDQPVDUSQ-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113592;MM113592;C=C(CC)CC=CF;IAXIMCHRKMYOQG-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113593;MM113593;C=C(CN)CC=CC;TZVQZROTGRMWBI-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113594;MM113594;C=C(CO)CC=CC;GLAXQQQZSHDDJM-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113595;MM113595;C=C(CO)CC=CF;IKOGTKAIEVBEFI-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113596;MM113596;C=C(CF)CC=CC;PKSXCGDZTVKGKV-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113597;MM113597;C=C(CF)CC=CF;UWCXHJLTZYTNBV-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113598;MM113598;CC=CCC(=O)CC;IHLRGGLJGGTPCY-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113599;MM113599;CCC(=O)CC=CF;NLELDPRNDIBZBF-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113600;MM113600;CC=CCC(=O)CF;IFJWZFHHZLXIRG-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113601;MM113601;C=C(CC)CC=NN;PWXHRVLELAZCBP-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113602;MM113602;C=C(CC)CC=NO;NNRVUEIBHVEPLS-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113603;MM113603;C=C(CF)CC=NN;HCCDADPDYHQJAQ-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113604;MM113604;C=C(CF)CC=NO;NZSFOUQIBYXVGI-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113605;MM113605;O=C(CO)CC=NO;AHDBKPMVNVQJKU-UHFFFAOYSA-N;117.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113606;MM113606;CC=CCC(=N)NC;DQXYZBHUCNZAMF-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113607;MM113607;CC=CCC(=O)NC;FJKTYHBAFCZUAL-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113608;MM113608;CC(=N)NC(=O)N(N)C=N;DAMJVROQJQLMDR-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113609;MM113609;O=C(CC=CF)NO;IKGVASOTDORHGG-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113610;MM113610;CNC(=N)CC=NN;SXNRRBSEGYYIMF-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113611;MM113611;CNC(=N)CC=NO;JDVBQCXDKIANAS-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113612;MM113612;N=C(CC=NN)NN;BVQIXXGAEMUGNP-UHFFFAOYSA-N;115.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113613;MM113613;N=C(CC=NO)NN;XCZUNQRTBCIKBE-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113614;MM113614;N=C(CC=NN)NO;CANIYZQBIDFJIQ-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113615;MM113615;N=C(CC=NO)NO;DGDLPILYKYULFE-UHFFFAOYSA-N;117.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113616;MM113616;CN=C(N)C(=O)NC(C)=N;CPOPILKRYXOLAG-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113617;MM113617;CNC(=O)CC=NO;WGFUZPKNDOVSKH-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113618;MM113618;N=CN=CNC(=O)NC=O;UTMBUADJCAGZPS-UHFFFAOYSA-N;142.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113619;MM113619;NNC(=O)CC=NO;UBHAFFSVKPPJOX-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113620;MM113620;NN=CCC(=O)NO;LAHOEADHSKUGAR-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113621;MM113621;O=C(CC=NO)NO;SWQLYHORDWIQOW-UHFFFAOYSA-N;118.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113622;MM113622;C=C(CC=CC)OC;RHOSLOVWJNHVIF-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113623;MM113623;C=C(CC=CF)OC;FWODKJHYMGBLCG-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113624;MM113624;CC=CCC(=O)OC;KJALUUCEMMPKAC-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113625;MM113625;COC(=O)CC=CF;TUPQVZNSMSYQER-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113626;MM113626;C=C(CC=NN)OC;JFQYYPITUZVHBE-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113627;MM113627;C=C(CC=NO)OC;LWDQOYXAJFLJRF-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113628;MM113628;CC=CNC(=N)CC;RDDKAVDZXKKOBD-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113629;MM113629;CCC(=N)NC=CF;SCZIQHRBRRVMJA-UHFFFAOYSA-N;116.14;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113630;MM113630;N=C(CN)NC=CF;VDWPQVSUSAQVKS-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113631;MM113631;N=C(CO)NC=CF;IUAKFXTZVUNILA-UHFFFAOYSA-N;118.11;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113632;MM113632;CC=CNC(=O)CC;PMAGOSMOWNMBRX-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113633;MM113633;CCC(=O)NC=CF;PNIRSSCIRMQVAG-UHFFFAOYSA-N;117.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113634;MM113634;CC=CNC(=O)CO;CZKGYSMLBCOEPZ-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113635;MM113635;O=C(CO)NC=CF;OJTRPNGFAGIGMM-UHFFFAOYSA-N;119.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113636;MM113636;C=C(CC)N=CNC;WHBQSMIOCHZGTG-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113637;MM113637;C=C(CO)NC=NC;CLSCYFDKCFDDCO-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113638;MM113638;C=C(CF)NC=NC;DOPNMTMZGFVBFL-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113639;MM113639;CCC(=N)NC=NN;KGYCWNSXJZKZEW-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113640;MM113640;CCC(=N)NC=NO;BBTFVWLFEJNAFI-UHFFFAOYSA-N;115.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113641;MM113641;CN=CNC(=N)CN;SBNSEVDTPOONFZ-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113642;MM113642;CN=CNC(=N)CO;YKRNSLGDUKYXKK-UHFFFAOYSA-N;115.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113643;MM113643;C=CN=CNC(=O)NC=N;XXBVDUCZQNXIBO-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113644;MM113644;CCNN=CN(N)C=NO;KXYFWHMUBAHKFU-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113645;MM113645;C#CCc1nc(O)c(N)[nH]1;OKXZLJXYDMFAQE-UHFFFAOYSA-N;137.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113646;MM113646;CCC(=O)NC=NN;RVMWZLBJKVKYIJ-UHFFFAOYSA-N;115.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113647;MM113647;CCC(=O)NC=NO;WYMNJAMFUPFNDW-UHFFFAOYSA-N;116.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113648;MM113648;CN=CNC(=O)CO;DODMZVLSLKEZOU-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113649;MM113649;NN=CNC(=O)CO;MCLBIJDGVXAMEW-UHFFFAOYSA-N;117.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113650;MM113650;O=C(CO)NC=NO;LDWASGZCYOPXSP-UHFFFAOYSA-N;118.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113651;MM113651;CN=CNC(=O)CF;IFQRPWFQVHVWFJ-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113652;MM113652;O=C(CF)NC=NO;PYCHLDBNJSWTPC-UHFFFAOYSA-N;120.08;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113653;MM113653;CNC(=N)NC=CF;ITWAJYAUZRWJDA-UHFFFAOYSA-N;117.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113654;MM113654;N=C(NN)NC=CF;FRQBOKZMXOBCCI-UHFFFAOYSA-N;118.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113655;MM113655;N=C(NO)NC=CF;FRXIYBVKNRXTCR-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113656;MM113656;C=NNCC(O)(C=O)C=O;LUWGNLYZNULFGJ-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113657;MM113657;O=C(NO)NC=CF;LVRQWIOPOSNANA-UHFFFAOYSA-N;120.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113658;MM113658;CN=CNC(=N)NC;NREQYWSXDWUCHQ-UHFFFAOYSA-N;114.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113659;MM113659;CN=CNC(=N)NN;NDSAAIPPSMTUHV-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113660;MM113660;N=C(NN)NC=NN;XYAQXPBCCINPIO-UHFFFAOYSA-N;116.13;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113661;MM113661;N=C(NN)NC=NO;JCNAOCURBNTMHW-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113662;MM113662;CN=CNC(=N)NO;KGQAZHLJBYVLIV-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113663;MM113663;N=C(NO)NC=NN;SDWGYTSTAIVOQV-UHFFFAOYSA-N;117.11;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113664;MM113664;CC(CCC(C)=NO)=NN;IMEWZVDZAJVYCO-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113665;MM113665;CNC(=O)NC=NN;ICDFWBGHMVCPPR-UHFFFAOYSA-N;116.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113666;MM113666;CNC(=O)NC=NO;HZTSIESEDXEYBC-UHFFFAOYSA-N;117.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113667;MM113667;CC(=NO)NCC(F)=CF;AMACBFIFFDEUMA-UHFFFAOYSA-N;150.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113668;MM113668;NN=CNC(=O)NN;SZFYZTOCTRYFJR-UHFFFAOYSA-N;117.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113669;MM113669;NNC(=O)NC=NO;FHIHVRXHUWYYIB-UHFFFAOYSA-N;118.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113670;MM113670;CN=CNC(=O)NO;GBHHIUKCEFIVBL-UHFFFAOYSA-N;117.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113671;MM113671;NN=CNC(=O)NO;FUQJIQDXMVVYKS-UHFFFAOYSA-N;118.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113672;MM113672;O=C(NO)NC=NO;MZDYXSRBICHHRU-UHFFFAOYSA-N;119.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113673;MM113673;C=C(N=CNC)OC;NUXFESUYIUMQKH-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113674;MM113674;COC(=N)N(C)C(C)=NO;DXXPQMMAQRYIHW-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113675;MM113675;N#CC(O)C(N)=NCC=O;GQUWFNJKHBLWIS-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113676;MM113676;CN=CNC(=O)OC;LTLPBSYZMNTEQM-UHFFFAOYSA-N;116.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113677;MM113677;COC(=O)NC=NN;XYJPSBBIAKYIGX-UHFFFAOYSA-N;117.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113678;MM113678;COC(=O)NC=NO;SJFQCBPFWQHKAV-UHFFFAOYSA-N;118.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113679;MM113679;CC=NNC(=O)CC;DPSYRXRXXFXZFR-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113680;MM113680;CC=NNC(=O)OC;ZTDGBQPCYBAHKO-UHFFFAOYSA-N;116.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113681;MM113681;C=C(CC)OC=CC;YWUZITQWMTZRBR-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113682;MM113682;C=C(CC)OC=CF;DMVPNKBDXBOFQL-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113683;MM113683;C=C(CN)OC=CC;XTZBQXLMOKYGSZ-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113684;MM113684;C=C(CO)OC=CC;BJZVJXYMJUXYAK-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113685;MM113685;C=C(CO)OC=CF;AFWBDNDNWFKFGJ-UHFFFAOYSA-N;118.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113686;MM113686;C=C(CF)OC=CC;CTSUGDNWROLSKW-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113687;MM113687;C=C(CF)OC=CF;MMGMIZKFNPPHTO-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113688;MM113688;CC=COC(=O)CC;AOJIRGQJECGWRU-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113689;MM113689;CCC(=O)OC=CF;PEKBNNKSWZJANU-UHFFFAOYSA-N;118.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113690;MM113690;CC=COC(=O)CO;IZRQAXQJHCEFNQ-UHFFFAOYSA-N;116.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113691;MM113691;O=C(CO)OC=CF;CEITXCGNDYMEOD-UHFFFAOYSA-N;120.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113692;MM113692;CC=COC(=O)CF;WQPXXFRCJOJQTC-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113693;MM113693;O=C(CF)OC=CF;MISFJEGBJLULDU-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113694;MM113694;CC(=NO)C(=N)NNC=O;ZLPCEDOUFKFJCJ-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113695;MM113695;C=C(CC)OC=NO;FRSYLIHNHXJHGP-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113696;MM113696;C=C(CN)OC=NO;AUVONVLAISRBKT-UHFFFAOYSA-N;116.12;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113697;MM113697;NN=COC(=O)CO;UCIYJHCHQSALLH-UHFFFAOYSA-N;118.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113698;MM113698;O=C(CO)OC=NO;DWRDEXNROLKSIV-UHFFFAOYSA-N;119.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113699;MM113699;NN=COC(=O)NN;MMCKXVPYOGEABM-UHFFFAOYSA-N;118.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113700;MM113700;NNC(=O)OC=NO;PENSKQKLASVQPM-UHFFFAOYSA-N;119.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113701;MM113701;CC=NOC(=O)CC;HIDFKURYZAYUAR-UHFFFAOYSA-N;115.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113702;MM113702;CC=NOC(=O)CF;QMOPTSJENLTEGQ-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113703;MM113703;C=CC(=C)CC=CC;PNFYGAFLWLDIBH-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113704;MM113704;C=CC(=C)CC=CF;FBYPBIYHNSIUGZ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113705;MM113705;C=C(C=O)CC=CC;NSTKESSINHPNAW-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113706;MM113706;C=C(C#N)CC=CC;NNWSAXHQFJPAIF-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113707;MM113707;C=C(C=O)CC=CF;CZRKSMHLOCKKFK-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113708;MM113708;C=C(C#N)CC=CF;CQEWWRHYKBEEMJ-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113709;MM113709;C=CC(=O)CC=CC;NKXFVAPTUXWTDT-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113710;MM113710;CC=CCC(=O)C=O;HGBQVGQKDHORPP-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113711;MM113711;CC=CCC(=O)C#N;UOEXJGLVTSMHRZ-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113712;MM113712;O=CC(=O)CC=CF;LTBIZYFUOLDLID-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113713;MM113713;C=CC(=C)CC=NN;MHLOLUPFRCYNEJ-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113714;MM113714;C=CC(=C)CC=NO;XUYLSGDIARJNSL-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113715;MM113715;C=C(C#N)CC=NO;NRGFSAGPMYZJQP-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113716;MM113716;C=CC(=N)NC=CC;WFYJRDHBRHRIHM-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113717;MM113717;C=CC(=N)NC=CF;JUIDZGIOGCMCKS-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113718;MM113718;CC=CNC(=N)C#N;XJOIYOQWECUKKU-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113719;MM113719;C=CC=NN(C=NO)CC;YJJYOPJXCPTWDE-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113720;MM113720;C=CC(=O)NC=CC;SWUGWSQSZUHKIY-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113721;MM113721;C=CC(=O)NC=CF;KZVCMNREDXGKJJ-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113722;MM113722;CC=CNC(=O)C=O;WNKSYHYVSLCCGJ-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113723;MM113723;CC=CNC(=O)C#N;PTQHHWBOLPTEQK-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113724;MM113724;O=CC(=O)NC=CF;RAHBQTMANPEOCN-UHFFFAOYSA-N;117.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113725;MM113725;C=CC(=C)NC=NC;NXYSRBZOHBENNE-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113726;MM113726;Cc1nc(CO)c(C)n1O;QCHMOLCXHLQTAR-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113727;MM113727;NC(C=O)=NC=NO;KABRJGIUTIEHCM-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113728;MM113728;N#CC(=N)NC=NO;DCFUDEJPCNGUES-UHFFFAOYSA-N;112.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113729;MM113729;C#CCONC(=NO)NO;DHNAGYQABFRDBV-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113730;MM113730;C=CC(=O)NC=NN;YRZTWYSSHRCOLZ-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113731;MM113731;C=CC(=O)NC=NO;FCRPJIHMRBJHMI-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113732;MM113732;N=c1nc(N)n(O)c(=O)[nH]1;IDVGNBGEWSYGBX-UHFFFAOYSA-N;143.11;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113733;MM113733;O=CC(=O)NC=NO;CPIHUHYGAJQTTF-UHFFFAOYSA-N;116.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113734;MM113734;C=CC(=O)NN=CC;FKAGCGAIOLPOTO-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113735;MM113735;C=CC(=C)OC=CC;LRZPDWPCYOQBKR-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113736;MM113736;C=CC(=C)OC=CF;CHHZPOHCEZEUHP-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113737;MM113737;C=C(C=O)OC=CC;GNAFWXXCJHQOIO-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113738;MM113738;C=C(C#N)OC=CC;KRACBLKRYOLGNS-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113739;MM113739;C=C(C=O)OC=CF;KVBNFNMTIOIISU-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113740;MM113740;C=C(C#N)OC=CF;SXIKBHPPBYWKFE-UHFFFAOYSA-N;113.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113741;MM113741;C=CC(=O)OC=CC;UJEZSMGEGJNRNV-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113742;MM113742;C=CC(=O)OC=CF;CUBOEPPVWUQKCO-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113743;MM113743;CC=COC(=O)C=O;WSRBRJSKCDSTGZ-UHFFFAOYSA-N;114.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113744;MM113744;CC=COC(=O)C#N;MTJGFIRLYOXKJM-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113745;MM113745;N#CC(=O)OC=CF;YNONQBXSWCUXEN-UHFFFAOYSA-N;115.06;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113746;MM113746;C=CC(=C)OC=NO;JIWXFQZMEKLIBE-UHFFFAOYSA-N;113.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113747;MM113747;C=C(C=O)OC=NO;JWQFBMWVAHATFW-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113748;MM113748;COC=CCC(=NO)NN;DQSXIGHFCCAARR-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113749;MM113749;C=CC(=O)ON=CC;QBUACTLNTZFPAB-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113750;MM113750;C#CC(=C)CC=CC;MMZNQWYZVOGYAF-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113751;MM113751;C#CC(=C)CC=CF;PUHRXAZCDNJNNM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113752;MM113752;C#CC(=C)CC=NN;QVLUGKOOXFGICZ-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113753;MM113753;C#CC(=C)CC=NO;ATOPCQDQFISWGU-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113754;MM113754;C#CC(=O)NC=CF;XPFOANUYJWEZEG-UHFFFAOYSA-N;113.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113755;MM113755;C#CC(=C)NC=NC;BESSWZUUZCFILD-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113756;MM113756;C#CC(=O)NC=NN;DOLNJQCKDZDNIM-UHFFFAOYSA-N;111.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113757;MM113757;C#CC(=O)NC=NO;DCFQNYYDYYPCLB-UHFFFAOYSA-N;112.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113758;MM113758;C#CC(=C)OC=CC;IBSQDYAHXGOWLJ-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113759;MM113759;C#CC(=C)OC=CF;KKHRKPAMESBWMC-UHFFFAOYSA-N;112.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113760;MM113760;C#CC(=O)OC=CC;KXFKGFDJPVAIQT-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113761;MM113761;C#CC(=O)OC=CF;NGNMAEASIIGMHB-UHFFFAOYSA-N;114.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113762;MM113762;CC#CCC(C)CC;IBUAQOAHFNAARK-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113763;MM113763;CC#CCC(C)CN;HENFUKKUAGOZPT-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113764;MM113764;CC#CCC(C)CF;HVEMQRHWYFTIBJ-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113765;MM113765;CC#CCC(N)CC;UNOOCPCLKPZHIG-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113766;MM113766;CC#CCC(N)CF;VAXCPZKKJVUQIN-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113767;MM113767;CCNC1=CC(=NO)OC1;UKJKNSIAZITPEB-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113768;MM113768;CC#CCC(O)CO;RXZFBRXXVOZQCD-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113769;MM113769;CC#CCC(O)CF;CZUKTJLUTUIYEU-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113770;MM113770;CC#CCC(F)CC;NYQGIHAWSFARCR-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113771;MM113771;CC#CCC(F)CN;VMXHYPHPGODJQD-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113772;MM113772;CC#CCC(F)CO;SSLNTDISNXDWQX-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113773;MM113773;CC#CCC(F)CF;KSVASWXMFBUYFY-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113774;MM113774;CC#CCC(C)NC;JQAKATXKVPJONN-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113775;MM113775;CC#CCC(C)OC;RQIOPXYEXIIIJA-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113776;MM113776;CC#CCN(C)CC;TXCIIQCFHHZBLW-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113777;MM113777;C=CC(C)CC#CC;TZGQTYNJUBAWOY-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113778;MM113778;CC#CCC(C)C=O;JNZOLLQTKHVOPW-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113779;MM113779;CC#CCC(C)C#N;LWCKSPNBPHLCPT-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113780;MM113780;C=CC(N)CC#CC;PUHDNUPFKXEMCA-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113781;MM113781;C=CC(O)CC#CC;PDLPRXSKVVLBEA-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113782;MM113782;CC#CCC(O)C=O;ASNYXOHLYXSZAN-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113783;MM113783;CC#CCC(O)C#N;KVEUDYAFCDYBEW-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113784;MM113784;C=CC(F)CC#CC;GEXKYQIVKXHPDV-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113785;MM113785;CC#CCC(F)C=O;PUGLBDWARSOVRW-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113786;MM113786;CC#CCC(F)C#N;GOKILOGKRZYFFR-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113787;MM113787;C#CC(C)CC#CC;UVINDPVZPDCMBQ-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113788;MM113788;C#CC(N)CC#CC;BDBQTWOFHKFHQZ-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113789;MM113789;C#CC(O)CC#CC;VLHYSUKQSUZBJV-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113790;MM113790;C#CC(F)CC#CC;QQJGFKLEWKKLQU-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113791;MM113791;C=C(CC)CC#CC;HNTOSLBSPKWYPO-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113792;MM113792;C=C(CN)CC#CC;LSNFCVNKYZDVDC-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113793;MM113793;C=C(CO)CC#CC;VRJDHLSMNIMSCA-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113794;MM113794;C=C(CF)CC#CC;UXYGAZLBILGKCP-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113795;MM113795;CC#CCC(=O)CC;KTECQFJRRGTTEK-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113796;MM113796;CC#CCC(=O)CF;TVQIDMKRBFIOLF-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113797;MM113797;CC#CCC(=O)NC;RXSGROMYIKJMAP-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113798;MM113798;C=C(CC#CC)OC;RMCFZZWVYYDSGH-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113799;MM113799;CC#CCC(=O)OC;UMYFLLZNADNNSZ-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113800;MM113800;C=CC(=C)CC#CC;IDNUQNBWJRENES-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113801;MM113801;C=C(C=O)CC#CC;XOANGNATNKQRMI-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113802;MM113802;C=CC(=O)CC#CC;OIXWMVOIZHPKNT-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113803;MM113803;C#CC(=C)CC#CC;OUGLWNAOIJFZCK-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113804;MM113804;C#CC(=O)CC#CC;VLAGVQRIIJRVOG-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113805;MM113805;CC=C(C)CCCC;OFKLSPUVNMOIJB-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113806;MM113806;CC=C(C)CCCN;QNSHJMPWAWWNGW-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113807;MM113807;CCN1C=NC(=NO)C1C;FOJXQAGHAGXJOG-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113808;MM113808;CC=C(C)CCCF;WXZTUCLWWFVBOT-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113809;MM113809;CCCCC(C)=CF;IVUYKWMXACBBIP-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113810;MM113810;CC#Cc1ncn(O)c1N;SURLCVKSWOBFTI-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113811;MM113811;CC(=CF)CCCF;LDNYICMHICJDOD-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113812;MM113812;CC=C(F)CCCC;KAWNCPYRWWULPD-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113813;MM113813;CC=C(F)CCCN;RVYMQAQYQGJZRZ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113814;MM113814;CC=C(F)CCCO;FUUCBRVQHBEKDK-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113815;MM113815;CC=C(F)CCCF;CVDSFMCCMVNXRG-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113816;MM113816;CCCCC(F)=CF;XURFJTRMLLPBOU-UHFFFAOYSA-N;120.14;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113817;MM113817;NCCCC(F)=CF;VNTGXKPNMZZFCW-UHFFFAOYSA-N;121.13;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113818;MM113818;OCCCC(F)=CF;XNCUWVZIHNOYDJ-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113819;MM113819;FC=C(F)CCCF;KUMRBZMSBMTTIJ-UHFFFAOYSA-N;124.11;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113820;MM113820;CC=C(F)CCNC;WHUAQNUEPPRKKS-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113821;MM113821;CC=C(C)CCOC;YRSNHJZAOWQCFY-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113822;MM113822;COCCC(C)=CF;ROXFIOWCMMOZCI-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113823;MM113823;CC=C(F)CCOC;QFMUOGNFIUTUBY-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113824;MM113824;COCCC(F)=CF;VWKLQZSTVGJBEU-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113825;MM113825;CCCCC(C)=NN;PWNHCPBTYHHGJN-UHFFFAOYSA-N;114.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113826;MM113826;CC(=N)NC(=O)NC=N;NYNBVDRNBYYORN-UHFFFAOYSA-N;128.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113827;MM113827;C=C(C)c1cn(O)cn1;CUXHUYUREGHBKJ-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113828;MM113828;CC=C(C)CNCC;VXUPPHCOZMHQOZ-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113829;MM113829;CCNCC(C)=CF;OKXZYWVUWYVABG-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113830;MM113830;CC=C(C)COCC;PJLKLKLXIUMUIU-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113831;MM113831;CCOCC(C)=CF;GWJPZZYLYPCUKB-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113832;MM113832;CC=C(F)COCC;SPGSRABNCHTBJG-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113833;MM113833;CCOCC(F)=CF;YBCDUMFPQVYNBP-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113834;MM113834;CCOCC(C)=NN;HMSXJBXFXIPWIN-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113835;MM113835;CCOCC(C)=NO;HMEMTMIEIYYZCO-UHFFFAOYSA-N;117.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113836;MM113836;CCCN=C(C)NC;JPBOCIIWQYIQLT-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113837;MM113837;CN=C(C)NCCF;JHKFOAQXXROEBK-UHFFFAOYSA-N;118.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113838;MM113838;CCCN=C(C)NN;VZEBRHPJVLNULG-UHFFFAOYSA-N;115.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113839;MM113839;CC(=NN)NCCO;UQLGRWRUBSMHIV-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113840;MM113840;CCCN=C(C)NO;KITRWGMURMBSJN-UHFFFAOYSA-N;116.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113841;MM113841;CC(=NCCO)NO;DLOLZBCKBUGWOM-UHFFFAOYSA-N;118.14;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113842;MM113842;CCNN=C(C)NC;LBDLMVQICOKJNO-UHFFFAOYSA-N;115.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113843;MM113843;CC=C(C)OCCC;GHFHTNIBFKBDKH-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113844;MM113844;CC=C(C)OCCN;BJZUFIHPIUIRHR-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113845;MM113845;CC=C(C)OCCO;LZUUDFWIGBDWFI-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113846;MM113846;CC=C(C)OCCF;SLCHLPXMZSBQEO-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113847;MM113847;CCCOC(C)=CF;SZOWCYYLROAGNY-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113848;MM113848;CC(=CF)OCCO;MOEJAVJEZHQJEG-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113849;MM113849;CC(=CF)OCCF;UZBAPIKJIDXILL-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113850;MM113850;CC=C(C)OCOC;VFHZXTKWZGVDSF-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113851;MM113851;COCOC(C)=CF;CGKOIBUTZLCXRX-UHFFFAOYSA-N;120.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113852;MM113852;CC(F)=CC(=N)NC(N)=O;FASYVKGIEBDDGR-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113853;MM113853;CC(=N)NC(=O)C#CCO;KEVZFDKDJKEPDI-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113854;MM113854;CC(=NO)OCCO;LVRBCUAQPVYKKR-UHFFFAOYSA-N;119.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113855;MM113855;C#CCC(=N)NC(=O)NN;ZQKTVSHGYZBKSM-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113856;MM113856;C=CCCC(C)=CC;OJVSJOBJBMTKIW-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113857;MM113857;CC=C(C)CCC=O;JAVUNMMCXZREGY-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113858;MM113858;CC=C(C)CCC#N;PDAWPEYMNMDBGJ-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113859;MM113859;C=CCCC(C)=CF;CIQABXAKPZZLHH-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113860;MM113860;CC(=CF)CCC#N;POFFXUPEHLIXEY-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113861;MM113861;C=CCCC(F)=CC;WSESBEUILUQDBG-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113862;MM113862;CC=C(F)CCC=O;DKPSCNSGETXASI-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113863;MM113863;CC=C(F)CCC#N;RIFYZVWDLKFBMF-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113864;MM113864;C=CCCC(F)=CF;GMEXLGDZCPQPJN-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113865;MM113865;N#CCCC(F)=CF;QHOKAYLYILJGNU-UHFFFAOYSA-N;117.1;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113866;MM113866;C=CCCC(C)=NN;CZKXNJQRYGYXRD-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113867;MM113867;C=CCCC(C)=NO;DSGWTRUNWLIJAQ-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113868;MM113868;CN=C(C)NC(=O)NC=O;PLKWFKKRDKSRRN-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113869;MM113869;CC=C(F)CNC=N;DLOWLLBJYZRWJC-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113870;MM113870;CC=C(F)CNC=O;YATNBRVPFHBONL-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113871;MM113871;C#CC(=O)CCC(N)=NO;XSCMBWBFOZWHTR-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113872;MM113872;CC(CNC=N)=NN;KXVCSRIUFUSQIR-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113873;MM113873;CC1(C=O)CNC(=NO)N1;XAVNXQIVWZVEKS-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113874;MM113874;CC(CNC=N)=NO;QXPHVIAJKCXVRO-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113875;MM113875;CC(CNC=O)=NO;AOVZWCXJCHSVHR-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113876;MM113876;C=COCC(C)=CC;NXJJOCNWEKSRIL-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113877;MM113877;CC=C(C)COC=O;ZPYWBMFYWRSFGP-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113878;MM113878;C=COCC(C)=CF;RRYKOBMBODFUAI-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113879;MM113879;CC(=CF)COC=O;CSUJJRFNSHPEGT-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113880;MM113880;C=COCC(F)=CC;LXFJRUCBILVPFG-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113881;MM113881;CC=C(F)COC=O;ROPAQFWHKZUZKY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113882;MM113882;C=COCC(F)=CF;ZKKWNIDJDXQHAO-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113883;MM113883;O=COCC(F)=CF;PUFLFALXBUOUDF-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113884;MM113884;C=NOCC(C)=CC;NPFHUHCWVUOYAN-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113885;MM113885;C=NOCC(C)=CF;BWCBEEQPOBXFEL-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113886;MM113886;C=NOCC(F)=CC;CEOWXWAIWXZTGY-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113887;MM113887;C=NOCC(F)=CF;MEBDANWESRMPRG-UHFFFAOYSA-N;121.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113888;MM113888;C=COCC(C)=NN;DVDLGQPYPCQVDK-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113889;MM113889;C=CCNC(C)=NC;TWWQNCNENPCTSQ-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113890;MM113890;C#CC(N)C(=O)ONC=O;VZRZYVLVGPPDCM-UHFFFAOYSA-N;142.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113891;MM113891;CN=C(C)NNC=N;DRFNRQSUNARUGC-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113892;MM113892;CN=C(C)NNC=O;PVVJAWAYVDUTRL-UHFFFAOYSA-N;115.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113893;MM113893;CC(=NN)NNC=N;JXQFKHAMEMHIMO-UHFFFAOYSA-N;115.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113894;MM113894;CC(=NO)NNC=N;AMHVRYAIOYZPET-UHFFFAOYSA-N;116.12;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113895;MM113895;CCN=C(NC=NO)OC;GRNCZSLSQNCOHF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113896;MM113896;C=CCOC(C)=CC;NEMVHMJQBSGPBX-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113897;MM113897;CC=C(C)OCC=O;CWEIDOKXCPQZSP-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113898;MM113898;C=CCOC(C)=CF;LDJIZOQEQMZQII-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113899;MM113899;CC(=CF)OCC=O;DYMVCNRVAXNOJY-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113900;MM113900;O=CC=C1CNC(=NO)C1;MFBRRFKZSZFZSJ-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113901;MM113901;C=CCOC(C)=NO;AJMZMTDGPAHXSM-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113902;MM113902;CC(=NO)OCC=O;FJMBDPUMWCWGPL-UHFFFAOYSA-N;117.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113903;MM113903;CC(=NN)ONC=O;RDPJONZDTIWCLI-UHFFFAOYSA-N;117.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113904;MM113904;C#CCCC(C)=CC;AYJZOPYJWUXFLN-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113905;MM113905;C#CCCC(C)=CF;VNJKFIVMXPYWGS-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113906;MM113906;C#CCCC(F)=CC;YWNYNBDTIVUHMK-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113907;MM113907;C#CCCC(F)=CF;QXXVHYJTSZULRS-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113908;MM113908;C#CCCC(C)=NN;AWRNWZIHLOZOIE-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113909;MM113909;C#CCCC(C)=NO;FOKNAPVJYTWWLU-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113910;MM113910;C#CCOC(C)=CC;BTBCGUVFVPIGNE-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113911;MM113911;C#CCOC(C)=CF;YRURUPKFDWJUOI-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113912;MM113912;CC=CCC(C)=CC;HZRLHHXGWWPMRV-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113913;MM113913;CC=C(C)CC=CF;AUGQNXGIDDQMES-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113914;MM113914;CC=CCC(C)=CF;GWWPDDFISNODTI-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113915;MM113915;CC(=CF)CC=CF;KCSIBZONFCELBS-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113916;MM113916;CC=CCC(F)=CC;VJASGSDJFYEJLR-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113917;MM113917;CC=C(F)CC=CF;HTGAYTJBOGIFGT-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113918;MM113918;CC=CCC(F)=CF;XACUFRYPJRTXJE-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113919;MM113919;CC=C(C)CC=NN;ROIYJRDLLIEOHB-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113920;MM113920;CC=C(C)CC=NO;XRJUCRZVHOQZAL-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113921;MM113921;CC(=CF)CC=NN;BUWZCTFWJGHBQW-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113922;MM113922;CC(=CF)CC=NO;WLCSJKIQCMINLP-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113923;MM113923;CC=C(F)CC=NN;XHYWUCQNKBIFKR-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113924;MM113924;CC=C(F)CC=NO;WYDWOQAECKJSEO-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113925;MM113925;NN=CCC(F)=CF;FOQKOKZWMZKYRC-UHFFFAOYSA-N;120.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113926;MM113926;CC=CCC(C)=NN;JDWTUFCIOVWEKZ-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113927;MM113927;CC(CC=CF)=NN;JEWMFBROXHCLAF-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113928;MM113928;CC=CCC(C)=NO;HTXHNXQCMPTZNA-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113929;MM113929;CC(CC=CF)=NO;CCXNMBOLTXDXJO-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113930;MM113930;CC=C(C)NC=NC;RPVIQYCOFZJQKX-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113931;MM113931;CN=CNC(C)=CF;PGYXBYWCUJKVIF-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113932;MM113932;CC=CNC(C)=NC;BFXVJZHDZKVGOS-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113933;MM113933;CN=C(C)NC=CF;AKEMRNUVSBKRIG-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113934;MM113934;CC=CN=C(C)NN;CFWRPIRNWBMYNV-UHFFFAOYSA-N;113.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113935;MM113935;CC=CN=C(C)NO;VXVLPNFVBKRRGK-UHFFFAOYSA-N;114.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113936;MM113936;NN=CC1=CC(=NO)NC1;QFJPOBXVTZFLLL-UHFFFAOYSA-N;140.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113937;MM113937;CC(=NC=NO)NN;XVPUZVKDTNHCTM-UHFFFAOYSA-N;116.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113938;MM113938;Cn1cnc(O)c1N;MJZQEYXYONVCQB-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113939;MM113939;CC(N=CNO)=NO;FHPADWBMNKAWKQ-UHFFFAOYSA-N;117.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113940;MM113940;CC=COC(C)=CC;NNSXYTQKZKFAFL-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113941;MM113941;CC=C(C)OC=CF;KCQVOMFNQJJYGR-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113942;MM113942;CC=COC(C)=CF;IYEOEUOXMYHKNT-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113943;MM113943;CC(=CF)OC=CF;GZKUDKJJPZXHLJ-UHFFFAOYSA-N;120.1;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113944;MM113944;N=C(C=CF)NC(N)=O;WIHIIOOCOQCPQE-UHFFFAOYSA-N;131.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113945;MM113945;CC=C(C)OC=NO;ARKALXBSKXWDAM-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113946;MM113946;C#Cc1ncn(O)c1N;ULNIDEAXDOUJKK-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113947;MM113947;NN=C1CNC(=NO)N1;NQTYELBCTVTQRO-UHFFFAOYSA-N;129.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113948;MM113948;CC=COC(C)=NO;JMVNDIWUBPYHGY-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113949;MM113949;CC(=NO)OC=CF;WDGBIFZZDIUXTA-UHFFFAOYSA-N;119.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113950;MM113950;CC#CCC(C)=CC;XTXBEENXPYBDIP-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113951;MM113951;CC#CCC(C)=CF;HFIUPGYAPJTVGT-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113952;MM113952;CC#CCC(F)=CC;WDOAPYXWGGPVDS-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113953;MM113953;CC#CCC(F)=CF;WQZOMXTYRZJUJU-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113954;MM113954;CC#CCC(C)=NN;FXEPKIFTPFPNLS-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113955;MM113955;CC#CCC(C)=NO;JFRVTKDSCCCWGB-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113956;MM113956;CCC=CC(C)CC;YMNTZRCUPAYGLG-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113957;MM113957;CCC(C)C=CCN;SOCWGDHYZJSREF-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113958;MM113958;CCC(C)C=CCO;JFYHKJAFXHUHEH-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113959;MM113959;CCC(C)C=CCF;YPUPWVVRGQBYOF-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113960;MM113960;CCC=CC(C)CN;YLKHFUCBGKHIHI-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113961;MM113961;CC(C=CCF)CN;OKDRMUGCEKJEDR-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113962;MM113962;CCC#CC(=O)NC(C)=N;XKTLOXCCINJWBZ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113963;MM113963;CC(C=CCN)CO;HXZHWXNVOYDHCI-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113964;MM113964;C=C(C)C(=N)NC(=O)CO;SEGIFKPNDAGVFE-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113965;MM113965;CCC=CC(C)CF;JGPNHGVUUVCKSF-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113966;MM113966;CC(C=CCO)CF;KRQUAILIHTVNDF-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113967;MM113967;CC(C=CCF)CF;YWLXIZZMJOOXAU-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113968;MM113968;CCC=CC(N)CC;TWCXMASXLIBKJZ-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113969;MM113969;CCC(N)C=CCN;UEYPNLBEMMLFBU-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113970;MM113970;CCC(N)C=CCF;UHDWZYHZIWFGOL-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113971;MM113971;NCC=CC(N)CN;NCGLAVYCBYZAHF-UHFFFAOYSA-N;115.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113972;MM113972;NCC(N)C=CCO;QJODMXNZZGGMMP-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113973;MM113973;NCC(N)C=CCF;TVHILXVDCZITTD-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113974;MM113974;NCC=CC(N)CO;GZJRQIYLCRGVGC-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113975;MM113975;NC(C=CCO)CO;DDDVNKPWZJSCBE-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113976;MM113976;NCC=CC(N)CF;WHCJZNLLRJRMHI-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113977;MM113977;C=C(C)C(=N)NC(=O)NN;HQYVSQQOVBOHRW-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113978;MM113978;CCC(O)C=CCF;UOWMGNOVDAARRZ-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113979;MM113979;NCC=CC(O)CN;IVQIZJBNANYQAJ-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113980;MM113980;NCC(O)C=CCO;HCJKGPZSDRBSBJ-UHFFFAOYSA-N;117.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113981;MM113981;OCC=CC(O)CO;IVWUOJJXIHLHOB-UHFFFAOYSA-N;118.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113982;MM113982;OCC(O)C=CCF;PZIFBWAYWIGSFN-UHFFFAOYSA-N;120.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113983;MM113983;CCC=CC(O)CF;CSRBIRYKHSBZPA-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113984;MM113984;NCC=CC(O)CF;HRTAWRRHXIURGW-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113985;MM113985;CCC=CC(F)CC;VJADSDWNCNFBLJ-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113986;MM113986;CCC(F)C=CCN;KMQLZEVQYHHOPQ-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113987;MM113987;CCC(F)C=CCO;ANECSKPKIZVHLK-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113988;MM113988;CCC(F)C=CCF;GWEUALVUAMUDKX-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113989;MM113989;CCC=CC(F)CN;XYVXNJNKFJVAEV-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113990;MM113990;NCC=CC(F)CN;TUKKDRTWMULDFX-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113991;MM113991;NCC(F)C=CCO;QPKMAAMKEYEWGW-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113992;MM113992;CCC=CC(F)CO;NTYDNFVABBICSY-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113993;MM113993;NCC=CC(F)CO;XNLKAUMXIFURQV-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113994;MM113994;OCC=CC(F)CO;YPVVNCKJLKAKGE-UHFFFAOYSA-N;120.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113995;MM113995;CCC=CC(F)CF;MYVRTQSQCSPSEK-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113996;MM113996;FCC=CC(F)CF;LXIOPEZAJZPJGR-UHFFFAOYSA-N;124.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113997;MM113997;CCC(C)C=COC;UPWDSORLIMBMBG-UHFFFAOYSA-N;114.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113998;MM113998;COC=CC(C)CO;OELDMWNXSYAIQX-UHFFFAOYSA-N;116.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM113999;MM113999;COC=CC(C)CF;MYVYZEOAAITDFY-UHFFFAOYSA-N;118.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114000;MM114000;CCC(N)C=COC;PBTFSAZZOBNJHJ-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114001;MM114001;COC=CC(N)CN;GNNCQQWDVSSKAY-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114002;MM114002;COC=CC(N)CO;GMDZYPJRQZBJNO-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114003;MM114003;CCC(O)C=COC;AJSKOACWFJDEOI-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114004;MM114004;COC=CC(O)CN;HQQUHTKYTBIQEA-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114005;MM114005;COC=CC(O)CO;RZVAZROSMLFVHS-UHFFFAOYSA-N;118.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114006;MM114006;CCC(F)C=COC;WVSKHDXZLMFJAX-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114007;MM114007;CCC=CC(C)NC;MVHJADWPIPPJOJ-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114008;MM114008;CNC(C)C=CCF;GZMIITSHMIQBRN-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114009;MM114009;CNC(C)C=COC;AELSPFNQBTVOGM-UHFFFAOYSA-N;115.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114010;MM114010;CCC=CC(C)OC;OCQXBNQWEPJVQL-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114011;MM114011;COC(C)C=CCF;GGKDYKGAQHJOIC-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114012;MM114012;COC=CC(C)OC;AFBBMWYINLAUHN-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114013;MM114013;CCC(C)C=NNC;XGFUPNXOJVDORD-UHFFFAOYSA-N;114.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114014;MM114014;C=CN=C(C)NC(=O)NN;PXWNVFOZABOPLM-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114015;MM114015;CNN=CC(C)CF;PMGZFBCELARNSA-UHFFFAOYSA-N;118.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114016;MM114016;CNN=CC(N)CN;PFPFBBXBHDHGRP-UHFFFAOYSA-N;116.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114017;MM114017;NC=CC(=NO)NC(N)=O;PUINMSBFTOQDDO-UHFFFAOYSA-N;144.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114018;MM114018;CCC(C)C=NOC;QETJICKBVMSFBW-UHFFFAOYSA-N;115.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114019;MM114019;CON=CC(C)CF;QILZTZAXOWNYJW-UHFFFAOYSA-N;119.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114020;MM114020;CON=CC(N)CN;FAXQUSZUUAAHHV-UHFFFAOYSA-N;117.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114021;MM114021;CON=CC(N)CO;HHODEMUEGQCTOX-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114022;MM114022;CON=CC(O)CN;MCRIEQISPALJMD-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114023;MM114023;CCC(F)C=NOC;KTCHMEVWISWDIZ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114024;MM114024;N=CNC(=O)NOC=NN;NNYLYWLCXGUXST-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114025;MM114025;CNC(C)C=NOC;NWJNIYMIFBMNJH-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114026;MM114026;CCN=CN(C)CC;QFCCMOVIABICEB-UHFFFAOYSA-N;114.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114027;MM114027;CN(C=N)C(=O)NC=NN;PQENMDMQKUWOGT-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114028;MM114028;CCN(N)C=NOC;QOOCYQWGNQZMOF-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114029;MM114029;CCC=NN(C)CC;JIXLOBWYESEIDL-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114030;MM114030;C=CC=CC(C)CC;LNAHUAJWAXJROY-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114031;MM114031;CCC(C)C=CC=O;PKOVRWKTLYBDGH-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114032;MM114032;CCC(C)C=CC#N;RIMSHACPVDNYFC-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114033;MM114033;C=CC=CC(C)CN;CKAZDZYNENLUKN-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114034;MM114034;CN=CNC(=O)C(=N)NO;RLQUKKZUFCEJRA-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114035;MM114035;C=CC=CC(C)CF;JEERUPPKMYVREQ-UHFFFAOYSA-N;114.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114036;MM114036;CC(C=CC#N)CF;HLABWNWZVORESA-UHFFFAOYSA-N;113.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114037;MM114037;C=CC=CC(N)CC;ZLEDUUAQGXQAAG-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114038;MM114038;C=CC=CC(N)CN;KSLYMTYTXDIUCM-UHFFFAOYSA-N;112.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114039;MM114039;C=CCN(N=C)C(C)=NO;CVVVFCQSQIZPDT-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114040;MM114040;CCC(O)C=CC=O;JYTUBIHWMKQZRB-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114041;MM114041;CCC(O)C=CC#N;ZVKMULORXYCVKT-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114042;MM114042;N#CC=CC(O)CO;JYYMBCPFZNLKLO-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114043;MM114043;C=CC=CC(O)CF;NKWIDZDVIBPVIU-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114044;MM114044;C=CC=CC(F)CC;AHCHNNJCCSVLLA-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114045;MM114045;CCC(F)C=CC#N;HMELJVAUFYVBCY-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114046;MM114046;C=CC=CC(F)CO;ACMQLGPZWKFCCU-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114047;MM114047;C=CC=CC(F)CF;RUIPJNNUEKHEAH-UHFFFAOYSA-N;118.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114048;MM114048;O=CC=CC(F)CF;QBROHLAKGWDFIH-UHFFFAOYSA-N;120.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114049;MM114049;N#CC=CC(F)CF;BUTSGMNSEVXQNF-UHFFFAOYSA-N;117.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114050;MM114050;C=CC=CC(C)OC;HMFXXDINTCMACP-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114051;MM114051;COC(C)C=CC#N;NUDRXWPJZZCSDP-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114052;MM114052;C=NN=CC(C)CC;FWDIYRZRHPNDQJ-UHFFFAOYSA-N;112.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114053;MM114053;C=NN=CC(C)CO;PFMWJVGOQIRWRO-UHFFFAOYSA-N;114.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114054;MM114054;C=NN=CC(C)CF;UOEQLCYOLSVMFH-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114055;MM114055;C=NN=CC(N)CN;GLXSKLZLNWQHEK-UHFFFAOYSA-N;114.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114056;MM114056;C=NN=CC(O)CC;JVPZUWHKEQBTPJ-UHFFFAOYSA-N;114.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114057;MM114057;C=NN=CC(O)CN;ONBCMMHMJUXEBD-UHFFFAOYSA-N;115.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114058;MM114058;C=NN=CC(F)CC;QJJUFZMWSDPKHK-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114059;MM114059;C=NN=CC(F)CN;UOEAARJRQYSQAS-UHFFFAOYSA-N;117.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114060;MM114060;C=NN=CC(C)OC;BLNRSEXFWYLCCK-UHFFFAOYSA-N;114.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114061;MM114061;CCN(C)C=CC#N;LDKOZDQOAGGILU-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114062;MM114062;CCN(C)C=NC=N;ZVAQZCBWYGLNRV-UHFFFAOYSA-N;113.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114063;MM114063;CCN(C)C=NC=O;CETGQYVQINMOHJ-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114064;MM114064;CCN(N)C=NC=O;BPKHCZCJAPRSEO-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114065;MM114065;CC#CCN(C=N)C=NO;ROTXUGCQRGLMKH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114066;MM114066;C=NN=CN(C)CC;KGGLDCLOYBWPFX-UHFFFAOYSA-N;113.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114067;MM114067;C=NN=CN(N)CC;LPSCRACCXMJPKX-UHFFFAOYSA-N;114.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114068;MM114068;CON(C)C=NC=N;GRYHWJJRJBTUQN-UHFFFAOYSA-N;115.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114069;MM114069;CON(C)C=NC=O;CHWRBPSHYWGEDH-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114070;MM114070;C=NN=CN(C)OC;CXRABISFSAEIKJ-UHFFFAOYSA-N;115.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114071;MM114071;C=CC=NN(C)CC;BEJAHIDVPCSWOT-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114072;MM114072;C#CC=CC(C)CC;GFNIAVSDFLKMOS-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114073;MM114073;C#CC=CC(C)CN;RGPMSADQKLGBJA-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114074;MM114074;CCOCCC(=NO)NN;XFFNQNYWISUSGF-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114075;MM114075;C#CC=CC(C)CF;VXAVKQHAJHXFCF-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114076;MM114076;C#CC=CC(N)CC;YJMJCRLIMZYSLO-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114077;MM114077;C#CC=CC(N)CF;RUFPDGYTIWKFID-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114078;MM114078;CC#Cc1nc(CO)c[nH]1;YOPKAWRGXUKJHB-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114079;MM114079;C#CC=CC(O)CN;WFCVATRVEBLAHW-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114080;MM114080;C#CC=CC(O)CF;YQKALIOHTAJJSE-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114081;MM114081;C#CC=CC(F)CC;FASJOSIMADLMDG-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114082;MM114082;C#CC=CC(F)CN;GQRNILPZFLSCOV-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114083;MM114083;C#CC=CC(F)CO;KGDLKHXJZANCAA-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114084;MM114084;C#CC=CC(F)CF;SWORABRTHFFOFV-UHFFFAOYSA-N;116.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114085;MM114085;C#CC=CC(C)NC;QAENYQNCLQDKQY-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114086;MM114086;C#CC=CC(C)OC;DEBVKAUAJRICNP-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114087;MM114087;C#CC=NN(C)CC;RNHGXQRHSUANJD-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114088;MM114088;C=CC(C)C=CCC;FBJNXQPYIFUANI-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114089;MM114089;C=CC(C)C=CCN;OQZGAHMONUBKBW-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114090;MM114090;C=CC(C)C=CCO;XBOGKTNPCTWGRR-UHFFFAOYSA-N;112.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114091;MM114091;C=CC(C)C=CCF;YPHOJYHOSIDBRW-UHFFFAOYSA-N;114.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114092;MM114092;CCC=CC(C)C=O;XIPAVEJROWUIHG-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114093;MM114093;CCC=CC(C)C#N;BPRRVWSZQDGBBK-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114094;MM114094;CC(C#N)C=CCO;FNSHERHSAXFLAB-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114095;MM114095;CC(C=O)C=CCF;MHYGBQWKVOOIFV-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114096;MM114096;CC(C#N)C=CCF;WAIMXLGZPSKAAG-UHFFFAOYSA-N;113.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114097;MM114097;C=CC(N)C=CCC;VOTUDSYKZPFTMJ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114098;MM114098;C=CC(N)C=CCN;VKEWWDZXAYGCEB-UHFFFAOYSA-N;112.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114099;MM114099;C=CC(N)C=CCF;NJUYEFAILOCXNY-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114100;MM114100;C=CC(O)C=CCC;IFCFKGAXRCTGGO-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114101;MM114101;C=CC(O)C=CCO;KEFBPFHHEPXWHE-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114102;MM114102;C=CC(O)C=CCF;JDPOVKVINRSYLF-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114103;MM114103;CCC=CC(O)C#N;CKQNFNXTKOHINW-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114104;MM114104;O=CC(O)C=CCO;KZMRBDJXNOUUAV-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114105;MM114105;N#CC(O)C=CCO;BTGMLBGKWBLRDI-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114106;MM114106;O=CC(O)C=CCF;ZOBRVARSQHDCPE-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114107;MM114107;C=CC(F)C=CCC;GFSATUNCRWPODZ-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114108;MM114108;C=CC(F)C=CCO;FNEREXUJECITNO-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114109;MM114109;C=CC(F)C=CCF;ARMQOYDITCSFPN-UHFFFAOYSA-N;118.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114110;MM114110;CCC=CC(F)C=O;HXYSVZZGQDJFQQ-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114111;MM114111;CCC=CC(F)C#N;MMACDOVEOOQIAK-UHFFFAOYSA-N;113.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114112;MM114112;O=CC(F)C=CCO;GNMDIPFBCFVWCM-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114113;MM114113;N#CC(F)C=CCF;OSXLJLCFSHPGFL-UHFFFAOYSA-N;117.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114114;MM114114;C=CC(C)C=COC;MJOMTNGHYOMNSD-UHFFFAOYSA-N;112.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114115;MM114115;COC=CC(C)C=O;YCCCUFZWAFIHOX-UHFFFAOYSA-N;114.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114116;MM114116;C=CC(N)C=COC;UAVNIJOHONFYRH-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114117;MM114117;C=CC(O)C=COC;SYIXUHSJKSGTTC-UHFFFAOYSA-N;114.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114118;MM114118;C=CC(F)C=COC;MOZOBJWUYMUILW-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114119;MM114119;COC=CC(F)C=O;TUGAVUQWDQMXFA-UHFFFAOYSA-N;118.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114120;MM114120;COC=CC(F)C#N;LAYJKWCMHJCMGB-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114121;MM114121;C=CC(C)C=NNC;KEFWSECOGMFJGB-UHFFFAOYSA-N;112.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114122;MM114122;ON=CC=CN1CC1;CCAMINAEXFNELU-UHFFFAOYSA-N;112.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114123;MM114123;CC=NNC(=O)NC=N;XEIRLFJHKMXDTA-UHFFFAOYSA-N;128.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114124;MM114124;C=CC(C)C=NOC;ZSKJNQHLWIMVCA-UHFFFAOYSA-N;113.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114125;MM114125;C=CC(N)C=NOC;TZSGUEMSHZHCLO-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114126;MM114126;CC(=CN)C(=NO)NO;FXIZZRRBBJEUHG-UHFFFAOYSA-N;131.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114127;MM114127;CON=CC(O)C=O;DKRFTIGGTTUKLP-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114128;MM114128;C=CC(F)C=NOC;PIESETZJHVIKNF-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114129;MM114129;CCC=CN(C)C=N;TVOITQIPGMJLCS-UHFFFAOYSA-N;112.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114130;MM114130;CN(C=N)C=CCN;FOYNNWUVEMOLOW-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114131;MM114131;CN(C=N)C=CCO;XPSFNGYOVVJCJM-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114132;MM114132;CN(C=N)C=CCF;AYFDQHJWHSNODN-UHFFFAOYSA-N;116.14;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114133;MM114133;CCC=CN(C)C=O;FCCLPLGBFLUMLN-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114134;MM114134;CN(C=O)C=CCN;CCJSIXSXHHOFFS-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114135;MM114135;CN(C=O)C=CCO;SUWHONMAVYRJAV-UHFFFAOYSA-N;115.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114136;MM114136;N=CN(N)C=CCO;SCFATBOURMPMBA-UHFFFAOYSA-N;115.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114137;MM114137;N=CN(N)C=CCF;FPBMXYJJTMBWMC-UHFFFAOYSA-N;117.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114138;MM114138;CN=CNC(=O)NC(N)=O;NHCMPTAPQFPAJN-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114139;MM114139;NN(C=O)C=CCF;VYDTYQICMJQTNS-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114140;MM114140;CCC=CN(O)C=N;OFVZNPNWKDNNAB-UHFFFAOYSA-N;114.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114141;MM114141;N=CN(O)C=CCN;HXPFFRIVRXKBKF-UHFFFAOYSA-N;115.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114142;MM114142;N=CN(O)C=CCO;RBENHTVTXWLOQG-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114143;MM114143;O=CN(O)C=CCO;NFPPZEMJMIFSRK-UHFFFAOYSA-N;117.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114144;MM114144;O=CN(O)C=CCF;MBFPLMIBEBWAOR-UHFFFAOYSA-N;119.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114145;MM114145;C=CN(C)C=NCC;YHRUBQAMBQRMOB-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114146;MM114146;CCN=CN(C)C=N;WSKWKEZLKABTLK-UHFFFAOYSA-N;113.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114147;MM114147;C=CN(N)C=NCC;WCAITIPYUJDNLW-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114148;MM114148;C=CN(C)C=NNC;KRIILOIUSWGVJA-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114149;MM114149;CNN=CN(C)C=N;MRXKMUZZVITYOY-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114150;MM114150;CON=CN(C)C=O;MZTOBCKXLUMQTC-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114151;MM114151;CON=CN(N)C=O;DKHHJPIHRQUORX-UHFFFAOYSA-N;117.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114152;MM114152;C=CC(=N)NC(=O)C(C)O;MNHXFFBWYQULAA-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114153;MM114153;C=NN(C)C=NCC;GZSQOYPINIAVPM-UHFFFAOYSA-N;113.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114154;MM114154;CCC(=N)NC(=O)NC=O;JWRIEUVJAROEAL-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114155;MM114155;CNC(=NC=O)NC(C)=O;QMSITEVWBUZRON-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114156;MM114156;CN(C=O)N=CCN;OHWDGMXBYRNUOS-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114157;MM114157;COC=NN(C)C=O;CQSBGPOGFXZAEM-UHFFFAOYSA-N;116.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114158;MM114158;C=CC=CC(C)C=C;NDRUXLROLQGDNL-UHFFFAOYSA-N;108.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114159;MM114159;C=CC(C)C=CC#N;XQPXQPONVOVNTA-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114160;MM114160;C=CC=CC(C)C=O;IQKUMXHMMIGYAD-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114161;MM114161;C=CC=CC(C)C#N;PXPWAMGYJZRVDA-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114162;MM114162;CC(C#N)C=CC#N;FTKNWDQTGIVUBE-UHFFFAOYSA-N;106.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114163;MM114163;C=CC=CC(N)C=C;BEJCSVQIEFJGGD-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114164;MM114164;C#CC(N)C(=N)NC=NO;AZZZFJBEIQCFQM-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114165;MM114165;C=CC(O)C=CC#N;RVPUPWQEROWRJA-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114166;MM114166;O=CC=CC(O)C=O;KBKQEUDBRUGUIQ-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114167;MM114167;N#CC(O)C=CC=O;ZAJXPPCCGFBIFF-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114168;MM114168;C=CC=CC(F)C=C;VDQYIARTQMNEFH-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114169;MM114169;C=CC(F)C=CC=O;UBQRTCAQQOVSIX-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114170;MM114170;C=CC(F)C=CC#N;LMBKWVZNXUFBTI-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114171;MM114171;C=CC=CC(F)C=O;VNNHLDMMNLRMGI-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114172;MM114172;C=CC=CC(F)C#N;HUSWXJUASMXGKZ-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114173;MM114173;N#CC(F)C=CC=O;HWUVGBFLZMPRCN-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114174;MM114174;N#CC=CC(F)C#N;AUJWQOABHDXHNP-UHFFFAOYSA-N;110.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114175;MM114175;C=CC(C)C=NN=C;LWYSCDVTKFIGMM-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114176;MM114176;CNN=CN(N)C(C)=NO;IUCOWLFHXBZNKQ-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114177;MM114177;C=CC(O)C=NN=C;MMSVQGPSVZOFHO-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114178;MM114178;C=CC(F)C=NN=C;WMHIRKHNWIMZQC-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114179;MM114179;C=NN=CC(F)C#N;YYEJTIZJRBGCTK-UHFFFAOYSA-N;113.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114180;MM114180;C=CC=CN(C)C=N;GXXMOFAYHJCVKS-UHFFFAOYSA-N;110.16;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114181;MM114181;CN(C=N)C=CC=O;FKFQDMYNNVIFOW-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114182;MM114182;C=CC=CN(C)C=O;VORQECAWDIGXFG-UHFFFAOYSA-N;111.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114183;MM114183;CN(C=O)C=CC=O;KZWCUEHKUGHPAE-UHFFFAOYSA-N;113.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114184;MM114184;C=CC=CN(O)C=N;MICREFDAQNBVJF-UHFFFAOYSA-N;112.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114185;MM114185;C=CN(C)C=NC=N;HVWKDZWESCEARL-UHFFFAOYSA-N;111.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114186;MM114186;CC(=NO)NNC=CC#N;YZZKEYUTLKNQKX-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114187;MM114187;C=CN(C)C=NN=C;XLTHXKMAIKINIP-UHFFFAOYSA-N;111.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114188;MM114188;CN(C=O)N=CC=O;IMRGNORLVANTNA-UHFFFAOYSA-N;114.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114189;MM114189;C#CC=CC(C)C=C;YWMCDHWUTSOWAV-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114190;MM114190;C#CC=CC(C)C=O;ZCQBXOQSRWUVHS-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114191;MM114191;C#CC=CC(N)C=C;OPIQRIWYLDCYHV-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114192;MM114192;C#CC=CC(O)C=C;PJDHDNYNFNRNHF-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114193;MM114193;C#CC=CC(F)C=C;NQNJESMOPJUNMD-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114194;MM114194;C#CC=CC(F)C=O;AXXSBAHRWDWICK-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114195;MM114195;C#CC=CC(F)C#N;XLYKQLXJMGQTSE-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114196;MM114196;C#CC=CN(C)C=O;UACFDAOHECZLHB-UHFFFAOYSA-N;109.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114197;MM114197;C#CC(C)C=CCC;XHZMTPDLIYBUFQ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114198;MM114198;C#CC(C)C=CCN;VSWCGTHTDNZIHQ-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114199;MM114199;C#CC(C)C=CCF;VBLUCEICAGWGKK-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114200;MM114200;C#CC(N)C=CCC;TWGCOHIYLFDMMH-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114201;MM114201;C#CC(N)C=CCN;HBYYMCLBCMCONR-UHFFFAOYSA-N;110.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114202;MM114202;C#CC(O)C=CCC;FSGCLZFWJZWETA-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114203;MM114203;C#CC(F)C=CCC;GEEOLWZRCFYZFP-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114204;MM114204;C#CC(F)C=CCO;UHRZPOYEEFAYNZ-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114205;MM114205;C#CC(F)C=CCF;JRNMJFSFHGGWOZ-UHFFFAOYSA-N;116.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114206;MM114206;C#CC(C)C=COC;GOHPPUPALWTMOA-UHFFFAOYSA-N;110.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114207;MM114207;C#CC(F)C=COC;IRCLUHAWHMZYQX-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114208;MM114208;C#CC(C)C=NNC;AWTZAVPHUSHBIF-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114209;MM114209;C#CC(C)C=NOC;NHLSYGPBZKHNMV-UHFFFAOYSA-N;111.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114210;MM114210;CNNC(=NO)OCCO;LPKRSAQHZTWQIO-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114211;MM114211;C#CC(C)C=CC=C;NHWNLELVZYNRNX-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114212;MM114212;C#CC(C)C=CC=O;DKFAWPNFBPTAMY-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114213;MM114213;C#CC(O)C=CC=C;LWCQIGVAUZTMBV-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114214;MM114214;C#CC(O)C=CC=O;XRMZDGDGUWQWFO-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114215;MM114215;C#CC(F)C=CC=C;SMLVRMSPNCFWDZ-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114216;MM114216;C#CC(F)C=CC=O;ZEJVUQXVLBSCKB-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114217;MM114217;C#CC(F)C=CC#N;VIVMCPWJCXXXFE-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114218;MM114218;C#CC(C)C=NN=C;QCPBUEBTXSLOMU-UHFFFAOYSA-N;108.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114219;MM114219;C#CC(F)C=NN=C;BRAIAQVIENZXRO-UHFFFAOYSA-N;112.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114220;MM114220;C#CC=CC(C)C#C;HLTGDWRBWFGMLZ-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114221;MM114221;C#CC=CC(F)C#C;KOTJKQONQJUCJS-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114222;MM114222;C=C(C=CCC)CC;SUJWMMYTMBMNMU-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114223;MM114223;C=C(C=CCN)CC;CRKAHJSHUWYCLN-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114224;MM114224;C=C(C=CCO)CC;UKTDEIACLCVDAD-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114225;MM114225;C=C(C=CCF)CC;YNFORXQWULMMDY-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114226;MM114226;C=C(C=CCC)CN;TYFBTBUWDYNJKU-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114227;MM114227;C=C(C=CCN)CN;FBXOOVIHHHXIQU-UHFFFAOYSA-N;112.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114228;MM114228;C=C(C=CCC)CO;SBCLOPZPICYRAH-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114229;MM114229;C=C(C=CCF)CO;YABKBADGZRZFKW-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114230;MM114230;C=C(C=CCC)CF;BNMZDWIOCFLEOS-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114231;MM114231;C=C(C=CCN)CF;SGCPVTJHFYBETB-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114232;MM114232;C=C(C=CCO)CF;NNVZDUOHESYXPP-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114233;MM114233;CCC=CC(=O)CC;ZPGYUDWZVQOWNY-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114234;MM114234;CCC(=O)C=CCF;HRIXRIAXWFKNMX-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114235;MM114235;O=C(C=CCO)CO;HEOCJLGAHGCVFQ-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114236;MM114236;O=C(C=CCF)CO;ILUWVRVVYCDANA-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114237;MM114237;CCC=CC(=O)CF;GRUUONCIBBPXGW-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114238;MM114238;CNC=CC(=O)CO;IQUPINKNZRURSD-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114239;MM114239;C=C(C=COC)CC;UZSPOKGLACAPAX-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114240;MM114240;C=C(C=COC)CF;MTPOZMPRKCMMMR-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114241;MM114241;CCC(=O)C=COC;QOHMGJABWHDJCY-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114242;MM114242;COC=CC(=O)CO;JDONLLAFYJHTSA-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114243;MM114243;CCC=CC(=N)NC;SIJRCCZWEDVOEG-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114244;MM114244;CNC(=N)C=CCN;OPHZPQNEQWJCEU-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114245;MM114245;CNC(=N)C=CCO;HDIZYFSEBUUKKL-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114246;MM114246;CCC=CC(=N)NN;NNJKKYKUBCMVNQ-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114247;MM114247;N=C(C=CCO)NN;VKQCVAFZFWNOJR-UHFFFAOYSA-N;115.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114248;MM114248;CCC=CC(=N)NO;WZUQJVVLQMFFBC-UHFFFAOYSA-N;114.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114249;MM114249;N=C(C=CCN)NO;HWRFIOOLJDVVSO-UHFFFAOYSA-N;115.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114250;MM114250;N=C(C=CCO)NO;DYBBRHBQNTWWIF-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114251;MM114251;COC1CCC(=NO)NC1;ORUZWVJAFNFQEF-UHFFFAOYSA-N;144.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114252;MM114252;CNC(=O)C=CCN;FKNQPMKUSCPENH-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114253;MM114253;CCN=CN(N)C=NO;PMKJIJAQSZLZCT-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114254;MM114254;CC=CC(N)=CC=NO;SNELERHKCSTMQD-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114255;MM114255;O=C(C=CCO)NO;XAQFOGDUCMHOFH-UHFFFAOYSA-N;117.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114256;MM114256;O=C(C=CCF)NO;NXFDLGGLMDHHEW-UHFFFAOYSA-N;119.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114257;MM114257;CNC=CC(=N)NC;ACUUTWJULXMHKO-UHFFFAOYSA-N;113.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114258;MM114258;CNC=CC(=N)NN;DSPJMFQJKAXWHE-UHFFFAOYSA-N;114.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114259;MM114259;CNC=CC(=N)NO;AGZYMCGHMMFNSQ-UHFFFAOYSA-N;115.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114260;MM114260;C=CC(=N)NC(=O)N(C)N;BTPNTJCJUVDWTQ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114261;MM114261;CNC(=O)NC(=O)NC=N;UIOCLFAHNNEHIB-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114262;MM114262;C=C(C=CCC)OC;CABKCBKMGHCAOS-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114263;MM114263;C=C(C=CCN)OC;VOTOWSWMRKJFSC-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114264;MM114264;C=C(C=CCO)OC;AKVQQHHZVBLSMA-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114265;MM114265;C=C(C=CCF)OC;GJNFUMUSQLOKPM-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114266;MM114266;CCC=CC(=O)OC;MBAHGFJTIVZLFB-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114267;MM114267;COC(=O)C=CCN;GLFAZZQWYRINJN-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114268;MM114268;COC(=O)C=CCO;QBFTZEUCFMABJD-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114269;MM114269;C=C(C=COC)OC;FVRHKBTYUDXFBD-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114270;MM114270;C=C(C=NNC)CC;YEPZIROTTXDBRZ-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114271;MM114271;N#CCC(=O)CNC=NO;PQHRRRUOSBAKFV-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114272;MM114272;C=C(C=NOC)CC;NYJVRRDGUDUATA-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114273;MM114273;C=C(C=NOC)CN;GADMOPTZSDXWOE-UHFFFAOYSA-N;114.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114274;MM114274;N=C(C=NO)N(N)CCO;XWNWMKQWHBNSES-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114275;MM114275;C=C(C=NOC)CF;PDRGNJUVBJBOCS-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114276;MM114276;CON=CC(=O)CO;DAXWDJXGYLFBPB-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114277;MM114277;CON=CC(=O)CF;XTYFSFTXVQKFDH-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114278;MM114278;CN(C=NO)C(=N)C=NN;GQBLEWCIBMEXSK-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114279;MM114279;C=C(C=NOC)OC;CFKONLYDYXTJEL-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114280;MM114280;C=CC=CC(=C)CC;DFQJFKHCOOHPEO-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114281;MM114281;C=C(C=CC=O)CC;WSWNANHLCNHTIC-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114282;MM114282;C=C(C=CC#N)CC;FBRRYUHIGDXDAR-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114283;MM114283;C=CC=CC(=C)CN;BAGZKAILLMFFDE-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114284;MM114284;C=CC=CC(=C)CO;KSTDXOPQXWHMSY-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114285;MM114285;C=CC=CC(=C)CF;BDTGOYRJRNWMQP-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114286;MM114286;C=C(C=CC=O)CF;XRVQVMULAKNTQD-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114287;MM114287;C=C(C=CC#N)CF;WJYAFOJKBZAYDQ-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114288;MM114288;C=CC=CC(=O)CC;CCAACSOXHPRBDG-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114289;MM114289;CCC(=O)C=CC=O;GVKYFODEMNCLGS-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114290;MM114290;O=CC=CC(=O)CO;HLZZBSVWPZIBJF-UHFFFAOYSA-N;114.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114291;MM114291;C=CC=CC(=O)CF;DLZRPHDEPLXKGB-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114292;MM114292;CN=C(N)C=CC=O;IGYBBYWGDIGKQB-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114293;MM114293;C=CC=CC(=N)NO;RNAYPPDDZGTRIJ-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114294;MM114294;C=CCc1nc(O)c(N)[nH]1;LXLFWOREEHXVMM-UHFFFAOYSA-N;139.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114295;MM114295;O=CC=CC(=O)NO;YSFVWIJEGYQHTQ-UHFFFAOYSA-N;115.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114296;MM114296;C=CC=CC(=C)OC;BDSXEWPTYOLLLF-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114297;MM114297;C=C(C=CC=O)OC;NPWVVHJFLUFUMS-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114298;MM114298;C=C(C=CC#N)OC;YMMRYXXYBUKOIC-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114299;MM114299;C=CC=CC(=O)OC;LJDLNNZTQJVBNJ-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114300;MM114300;COC(=O)C=CC#N;AJXIQWIGXITQSV-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114301;MM114301;C=NN=CC(=C)CC;XYVRDISZXBZITP-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114302;MM114302;C=NN=CC(=C)CN;FITVEFXMCMXPPK-UHFFFAOYSA-N;111.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114303;MM114303;C=NN=CC(=C)CO;GFTDZTVGKJXSFY-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114304;MM114304;C=NN=CC(=C)CF;CYUGQJWAROHHJL-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114305;MM114305;C=NN=CC(=O)CC;ITGRJUJAQAPMOQ-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114306;MM114306;C=NN=CC(=O)CF;FFUONZFKMVHQCB-UHFFFAOYSA-N;116.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114307;MM114307;C=NN=CC(=C)OC;JJLIIEYNOJJMHK-UHFFFAOYSA-N;112.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114308;MM114308;C=NN=CC(=O)OC;PRTDBLUNLVGKPI-UHFFFAOYSA-N;114.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114309;MM114309;C#CC=CC(=C)CC;ZQTMFZBVGRBGLW-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114310;MM114310;C#CC=CC(=C)CN;HHIIFRZGWQFQJB-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114311;MM114311;C#CC=CC(=C)CO;CPPSZWOEPHIRPR-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114312;MM114312;C#CC=CC(=C)CF;IBZQALBYTAIPEE-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114313;MM114313;C#CC=CC(=O)CC;CABWBWCACSWGQQ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114314;MM114314;C#CC=CC(=O)CF;BTYUURXBUMQYRG-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114315;MM114315;C#CC=CC(=N)NN;VXOOVNFAEQUMKS-UHFFFAOYSA-N;109.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114316;MM114316;CC(CO)OC(=NO)NN;BSTJWPIRBWDYQV-UHFFFAOYSA-N;149.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114317;MM114317;C#CC=CC(=O)NO;YDYPGZCEYRDFGB-UHFFFAOYSA-N;111.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114318;MM114318;C#CC=CC(=C)OC;KMTFWEUZJXQWJI-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114319;MM114319;C=CC(=C)C=CCC;MCMKDWPRIXJJNO-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114320;MM114320;C=CC(=C)C=CCN;HFIWHQDNFJJQKP-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114321;MM114321;C=CC(=C)C=CCO;AMZLQVHFONEIRA-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114322;MM114322;C=CC(=C)C=CCF;OYYAJCBRZKGBSE-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114323;MM114323;C=C(C=O)C=CCC;AURBPHWAZNWIQD-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114324;MM114324;C=C(C#N)C=CCC;AYUXZMVUGZBOFP-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114325;MM114325;C=C(C#N)C=CCO;MHLKNULUWXIRMI-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114326;MM114326;C=C(C=O)C=CCF;MAAWCORXZUPJJT-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114327;MM114327;C=C(C#N)C=CCF;XRGZJIIPJUHSIW-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114328;MM114328;C=CC(=O)C=CCC;AUCOQXJDRCYQCE-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114329;MM114329;C=CC(=O)C=CCF;BZBIZHZJRKQQFK-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114330;MM114330;O=CC(=O)C=CCF;SRNQVNZDNHWWLT-UHFFFAOYSA-N;116.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114331;MM114331;CNC=CC(=O)C=O;MAKMYDVRKUZBQQ-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114332;MM114332;C=CC(=C)C=COC;VYPNJJVJEXFKHY-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114333;MM114333;C=C(C=O)C=COC;LMJJKLSFYBEFCQ-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114334;MM114334;C=C(C#N)C=COC;LMKZWFWLAMIWSZ-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114335;MM114335;C=CC(=O)C=COC;AEWFNYOTOUXLHU-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114336;MM114336;C=CC(=C)C=NNC;YZWFEYTZUAERQP-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114337;MM114337;NN=C(NN)ONC(N)=O;WULIYWUYMLBERH-UHFFFAOYSA-N;148.13;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114338;MM114338;C=CC(=C)C=NOC;PJGYYXXTTQSEOK-UHFFFAOYSA-N;111.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114339;MM114339;C=CC(=O)C=NOC;HKKHMEKRUCQYEH-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114340;MM114340;C=CC=CC(=C)C=C;WMLZREYCISVLDD-UHFFFAOYSA-N;106.17;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114341;MM114341;C=CC(=C)C=CC=O;PQPVEDROXFZNAL-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114342;MM114342;C=CC(=C)C=CC#N;HKUZCSOBMRJXRM-UHFFFAOYSA-N;105.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114343;MM114343;C=CC=CC(=C)C=O;IBCYTCSWCPCCNI-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114344;MM114344;C=CC=CC(=C)C#N;AKGKORBEBXVZRS-UHFFFAOYSA-N;105.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114345;MM114345;C=C(C=O)C=CC=O;WDXGMIIGUZTEHL-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114346;MM114346;C=CC=CC(=O)C=C;NKUJQQWJJANFIN-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114347;MM114347;O=CC=CC(=O)C=O;SFSCHQJUYKUKJM-UHFFFAOYSA-N;112.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114348;MM114348;N#CC=CC(=O)C#N;SUZXSLIUNBTCOS-UHFFFAOYSA-N;106.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114349;MM114349;C=CC(=C)C=NN=C;VWBYQBGNPXQEFV-UHFFFAOYSA-N;108.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114350;MM114350;C=NN=CC(=C)C=O;LFOCKFIQXHIIBV-UHFFFAOYSA-N;110.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114351;MM114351;C=NN=CC(=C)C#N;BZRAVZHYLMZVFI-UHFFFAOYSA-N;107.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114352;MM114352;C=CC(=O)C=NN=C;NRFRQOKWFCJKDJ-UHFFFAOYSA-N;110.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114353;MM114353;C=NN=CC(=O)C=O;SENVXWGYMSLQLU-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114354;MM114354;C=NN=CC(=O)C#N;UGLXRSRAAMKZHI-UHFFFAOYSA-N;109.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114355;MM114355;C#CC=CC(=C)C=C;MGWOQAJGEXXEEV-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114356;MM114356;C#CC=CC(=C)C=O;VVMFJEARTNUXRK-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114357;MM114357;C#CC=CC(=C)C#N;HOUSRAIUUPTRSQ-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114358;MM114358;C#CC=CC(=O)C=C;CSGGHRGYWDLZDI-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114359;MM114359;C#CC=CC(=O)C=O;PBQBLDLUENEGSJ-UHFFFAOYSA-N;108.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114360;MM114360;C#CC(=C)C=CCC;UTHUTUALOZUVFI-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114361;MM114361;C#CC(=C)C=CCN;LCOVWUDMURVEDQ-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114362;MM114362;C#CC(=C)C=CCO;BZJKKJACIWHHOE-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114363;MM114363;C#CC(=C)C=CCF;GHLIBENGFLBNEY-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114364;MM114364;C#CC(=O)C=CCC;PDBPHCKKCQICJQ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114365;MM114365;C#CC(=C)C=COC;HEVKCPOIADRHOA-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114366;MM114366;C#CC(=C)C=NOC;SJHTUFQYSYEPPS-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114367;MM114367;C#CC(=C)C=CC=C;MKYOXNUMVAVKJT-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114368;MM114368;C#CC(=C)C=CC=O;PPMGUFZGQVVVRP-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114369;MM114369;C#CC(=C)C=CC#N;HQGGXCLTIDBDFB-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114370;MM114370;C#CC(=O)C=CC=C;IFZAIZFHXOKPMQ-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114371;MM114371;C#CC(=O)C=CC#N;RYUKFFURQIZXHJ-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114372;MM114372;C#CC(=C)C=NN=C;CBJSQSORFIWSAL-UHFFFAOYSA-N;106.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114373;MM114373;C#CC=CC(=C)C#C;PPRYEUMJTSHMQJ-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114374;MM114374;C#CC=CC(=O)C#C;MOGKRUGEUKFPLH-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114375;MM114375;CC=C(C)C=CCC;KORVNKZXSTWXDX-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114376;MM114376;CC=C(C)C=CCN;YRGKNPXCSRYWFK-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114377;MM114377;CC=C(C)C=CCO;WGDNYTTYAVSARF-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114378;MM114378;CC=C(C)C=CCF;BPFKTXVKTQDTMS-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114379;MM114379;CCC=CC(C)=CF;ZWPVRRADPVDZAS-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114380;MM114380;CC(C=CCO)=CF;XYCLZZPNMSTLOA-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114381;MM114381;CC(C=CCF)=CF;BQJCCJXCMRFYBL-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114382;MM114382;CC=C(F)C=CCC;LVOQQSCQKHBICP-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114383;MM114383;CC=C(F)C=CCN;UPAQSQWOJUFALO-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114384;MM114384;CC=C(F)C=CCO;AFGOCXYQNNWYBX-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114385;MM114385;CC=C(F)C=CCF;MUHMBSCHMHUMFN-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114386;MM114386;CCC=CC(F)=CF;PAXFGTLOGVLRBT-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114387;MM114387;NCC=CC(F)=CF;CWJDHWKREGFEMP-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114388;MM114388;OCC=CC(F)=CF;YCCHOCRUZZIXNR-UHFFFAOYSA-N;120.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114389;MM114389;FC=C(F)C=CCF;QRAGGQVWFOBAFJ-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114390;MM114390;CC=C(C)C=COC;OAWVMILBVRXQNP-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114391;MM114391;COC=CC(C)=CF;LPOATOSLXUGMQA-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114392;MM114392;CC=C(F)C=COC;VJADTCCXCLMPSY-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114393;MM114393;CCC=CC(C)=NN;FPIWBZDYOSCJIC-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114394;MM114394;CC(C=CCF)=NN;NYBNMPDGNGPYSA-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114395;MM114395;CN=CNC(=O)NC=NC;XEIGFYMEOJYXJH-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114396;MM114396;CC(C=CCF)=NO;IBWORJKOGWQQCF-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114397;MM114397;CN=CC=C(C)NN;IBVDMZGWXWMAOR-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114398;MM114398;CN=CC=C(C)NO;QMLZRINTVYOHFX-UHFFFAOYSA-N;114.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114399;MM114399;COC=CC(C)=NN;GCMBPKOBBXVHAH-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114400;MM114400;CC=C(C)C=NNC;MTFZGJGCVGDCQI-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114401;MM114401;CNN=CC(F)=CN;HINACEGWPPOJAO-UHFFFAOYSA-N;117.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114402;MM114402;CNN=CC(F)=CF;JSEWOMRXDNJDSD-UHFFFAOYSA-N;120.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114403;MM114403;CC=C(C)C=NOC;FCJLSFMAIMPQEA-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114404;MM114404;CON=CC(C)=CF;LOKNGCHCBIZMSP-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114405;MM114405;CC=C(F)C=NOC;LJRNPZHZYTUNJB-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114406;MM114406;CON=CC(F)=CF;BOGJTPPUYUHWPD-UHFFFAOYSA-N;121.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114407;MM114407;C=CC=CC(C)=CC;HBOBXPNYRYGOCI-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114408;MM114408;CC=C(C)C=CC=O;QVYTWTDUAISYFX-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114409;MM114409;C=CC=CC(C)=CF;HROMUNAUDMJNMS-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114410;MM114410;CC(C=CC#N)=CF;PGUNNGWKBFUQJP-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114411;MM114411;C=CC=CC(F)=CC;PYGUJFRUXJCGLN-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114412;MM114412;CC=C(F)C=CC=O;BDLOXKIMYJQIHO-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114413;MM114413;CC=C(F)C=CC#N;VXCDYQUAVWAHIP-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114414;MM114414;C=CC=CC(F)=CF;QZFQJVAYKCREGH-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114415;MM114415;O=CC=CC(F)=CF;MXWVHKPHGGSFJK-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114416;MM114416;N#CC=CC(F)=CF;LADSHSHSOVDAEG-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114417;MM114417;C=CC=CC(C)=NN;QFPPFRGTEHACOE-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114418;MM114418;CC1(C(=O)NC=NN)CN1;HNOMPDCLIDMDPV-UHFFFAOYSA-N;142.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114419;MM114419;CC(C=CC=O)=NO;MOZBWZWOJMXCOM-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114420;MM114420;C=NN=CC(C)=CC;OBYIETQPLRXISA-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114421;MM114421;C=NN=CC(C)=CF;PIQPMFBBSSJZSZ-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114422;MM114422;C=NN=CC(F)=CC;QHDSZCUDLQHSHK-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114423;MM114423;C=NN=CC(F)=CN;YLULKWFYPPYCMG-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114424;MM114424;C=NN=CC(F)=CF;LGBOBLWAQNXZRK-UHFFFAOYSA-N;118.09;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114425;MM114425;C=NN=CC(C)=NO;VFTHTELRBKKUHL-UHFFFAOYSA-N;113.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114426;MM114426;C#CC=CC(C)=CC;JRNWYIMRVKTVSD-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114427;MM114427;C#CC=CC(C)=CF;PDFPURRKIRHFAW-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114428;MM114428;C#CC=CC(F)=CC;JAIXVQICCJOJOH-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114429;MM114429;C#CC=CC(F)=CF;IPXNBIZGFGNRBI-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114430;MM114430;C#CC=CC(C)=NN;HAWVLFXEZPLKSD-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114431;MM114431;C#CC=CC(C)=NO;IXNKXQQZQZHPAW-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114432;MM114432;CCC#CC(C)CC;UCTGGLKZKKZBNO-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114433;MM114433;CCC(C)C#CCN;WJMWFOSXZNPIMZ-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114434;MM114434;CCC(C)C#CCO;AFYGDRXMLPXVIQ-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114435;MM114435;CCC(C)C#CCF;ZDNMBFTXFCIOSI-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114436;MM114436;CCC#CC(C)CN;FDDYYVIXJACOAF-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114437;MM114437;CC(C#CCN)CN;TYBVNCXCLKRECW-UHFFFAOYSA-N;112.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114438;MM114438;CCC#CC(C)CO;IPMQNMULIZNVQT-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114439;MM114439;CCC#CC(C)CF;AYYJZNXIFDPJFI-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114440;MM114440;CC(C#CCF)CF;YZXRFYTZLCKIHG-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114441;MM114441;CCC#CC(N)CC;BWLSOWADBZVKHS-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114442;MM114442;CCC(N)C#CCN;WILMXMSNIIXFGC-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114443;MM114443;CCC(N)C#CCF;AULXTNLLLMMCOU-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114444;MM114444;CCC#CC(N)CN;WAQCBZCEQWFTCL-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114445;MM114445;NCC#CC(N)CN;WJJXKJDYEAJOOJ-UHFFFAOYSA-N;113.16;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114446;MM114446;NCC(N)C#CCO;HHPCZSCXAFLXSS-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114447;MM114447;NCC(N)C#CCF;PTCVQAACYYDLIH-UHFFFAOYSA-N;116.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114448;MM114448;NCC#CC(N)CO;HSSBYNCNCKBBEU-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114449;MM114449;NC(C#CCF)CO;RKUJLRTUJNHUMJ-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114450;MM114450;NCC#CC(N)CF;RDBWOPNWJMVWFG-UHFFFAOYSA-N;116.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114451;MM114451;CCC#CC(O)CC;FMOKAMXPKGORIR-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114452;MM114452;CCC(O)C#CCN;LYZWQXCZPGNINM-UHFFFAOYSA-N;113.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114453;MM114453;CCC(O)C#CCF;GIHWTPAYYQDZJB-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114454;MM114454;NCC#CC(O)CN;DHQQUTKSZXRXEE-UHFFFAOYSA-N;114.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114455;MM114455;NCC(O)C#CCO;NHVQGYSBFLLPGO-UHFFFAOYSA-N;115.13;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114456;MM114456;NCC(O)C#CCF;OPDRTYYIHVQBBL-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114457;MM114457;CCC#CC(O)CO;KTTZQKJLQIJOEK-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114458;MM114458;NCC#CC(O)CO;DRWPXWLBGYVUMR-UHFFFAOYSA-N;115.13;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114459;MM114459;OCC#CC(O)CO;YQYDWXWNYNKBJD-UHFFFAOYSA-N;116.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114460;MM114460;OCC(O)C#CCF;LJJSCQLLQHASFM-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114461;MM114461;CCC#CC(O)CF;WVEMCRQFNOKGFY-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114462;MM114462;NCC#CC(O)CF;ZIGQKEUBZFDLBQ-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114463;MM114463;OCC#CC(O)CF;HACFPCPHEMRQFV-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114464;MM114464;CCC#CC(F)CC;PNFABIFEXBEHAW-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114465;MM114465;CCC(F)C#CCN;BDEMBQCLOKHQAB-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114466;MM114466;CCC(F)C#CCO;ZKUQUPAXMVOKLR-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114467;MM114467;CCC(F)C#CCF;POUVYJNACYTXLA-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114468;MM114468;CCC#CC(F)CN;SJNDBJALJKZMKU-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114469;MM114469;CCC#CC(F)CO;FVOWTCLAZGNSPD-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114470;MM114470;NCC#CC(F)CO;MDHGBEWFJCBRII-UHFFFAOYSA-N;117.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114471;MM114471;OCC#CC(F)CO;RXVFRPGCHIVBPU-UHFFFAOYSA-N;118.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114472;MM114472;CCC#CC(F)CF;URHOSIZKZWWLIU-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114473;MM114473;FCC#CC(F)CF;IXJRFAKJAKCMAY-UHFFFAOYSA-N;122.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114474;MM114474;CCC#CC(C)NC;SOCHXRPPLZZNKM-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114475;MM114475;CNC(C)C#CCO;HNHKSVSNRJNMHW-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114476;MM114476;CCC#CC(C)OC;ZYKDDZLSOPFLTM-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114477;MM114477;COC(C)C#CCN;ABMWARRGXFHIMM-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114478;MM114478;COC(C)C#CCF;DAPHJHOXNPRHLA-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114479;MM114479;C=CC#CC(C)CC;HHRPNSXXQZHNHN-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114480;MM114480;CCC(C)C#CC=O;PQNOIQPKCYIDJB-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114481;MM114481;C=CC#CC(C)CN;QHXDCPMDWLLFKN-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114482;MM114482;C=CC#CC(C)CO;PINACCXMZVYRGO-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114483;MM114483;C=CC#CC(C)CF;CPKDBOKRNPNMSK-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114484;MM114484;CC(C#CC=O)CF;PCZSNIVFAQQRPA-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114485;MM114485;CC(C#CC#N)CF;FMKWDHCIVQZEEK-UHFFFAOYSA-N;111.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114486;MM114486;C=CC#CC(N)CC;GOXLZGZYWKTILV-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114487;MM114487;C=CC#CC(O)CC;IVZHKVRYSPIRPF-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114488;MM114488;CCC(O)C#CC=O;OZPBEYMYYUBGOF-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114489;MM114489;C=CC#CC(O)CN;SPKWAWRNHPSOBW-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114490;MM114490;C=CC#CC(O)CO;LOFLCYQHGFSPRS-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114491;MM114491;N#CC#CC(O)CO;SXDKEROFFBQTTI-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114492;MM114492;C=CC#CC(O)CF;JHZUZQIEOZSFJK-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114493;MM114493;C=CC#CC(F)CC;BLVGLYOKXUTWOW-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114494;MM114494;CCC(F)C#CC=O;LOVPRRVAYPZTOY-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114495;MM114495;CCC(F)C#CC#N;MFKPXRJQHIXZQK-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114496;MM114496;C=CC#CC(F)CF;DYZBTXSGROVTOO-UHFFFAOYSA-N;116.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114497;MM114497;O=CC#CC(F)CF;DKTKDWDTWHOTIZ-UHFFFAOYSA-N;118.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114498;MM114498;N#CC#CC(F)CF;DLZQFZBKMSIDEZ-UHFFFAOYSA-N;115.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114499;MM114499;C=CC#CC(C)NC;BUAWEVQMIVRKMA-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114500;MM114500;C=CC#CC(C)OC;AMCUSPLFXLWQDN-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114501;MM114501;COC(C)C#CC#N;IGCBBTHMQMMNCV-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114502;MM114502;C#CC#CC(C)CN;YGGMNSSDBWIOBP-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114503;MM114503;C#CC#CC(C)CO;DWBOHSXSOMLLFD-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114504;MM114504;C#CC#CC(C)CF;UUPQOTHPIFGSKE-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114505;MM114505;C#CC#CC(N)CC;BIAMRHWDOKDAND-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114506;MM114506;C#CC#CC(O)CC;FWRAKQJZBBSDNE-UHFFFAOYSA-N;108.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114507;MM114507;C#CC#CC(F)CC;ILTCNUDQHNAYID-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114508;MM114508;C#CC#CC(F)CF;RGWLMDWHVJCOST-UHFFFAOYSA-N;114.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114509;MM114509;C#CC#CC(C)NC;QDZWHJNJHWWBEX-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114510;MM114510;C#CC#CC(C)OC;WZNJYMGWIVCGJY-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114511;MM114511;C=CC(C)C#CCC;UJRNESZAFFFNOT-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114512;MM114512;C=CC(C)C#CCO;WOJQNNKLPNMATH-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114513;MM114513;C=CC(C)C#CCF;PURTVDLPXFENCT-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114514;MM114514;CCC#CC(C)C=O;LUOATASHRSMROT-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114515;MM114515;CCC#CC(C)C#N;ZRFIEDNUDQVPEN-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114516;MM114516;CC(C#CCF)C=O;YINJCONUGIODSN-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114517;MM114517;C=CC(N)C#CCC;JIWHYSREHHUPDM-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114518;MM114518;C=CC(O)C#CCC;WDMKYTIJFHTVDF-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114519;MM114519;C=CC(O)C#CCO;OWXBFYUTBVTJLJ-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114520;MM114520;CCC#CC(O)C=O;FWSDGHYUVOTBHX-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114521;MM114521;O=CC(O)C#CCO;FCMJIEGUBORHIQ-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114522;MM114522;O=CC(O)C#CCF;CWIYJMPVLZHQSY-UHFFFAOYSA-N;116.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114523;MM114523;C=CC(F)C#CCC;NSZYNVPAOAUHHA-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114524;MM114524;C=CC(F)C#CCO;WYKZZHDGPZTROZ-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114525;MM114525;C=CC(F)C#CCF;WVWRUBIGMLQHHO-UHFFFAOYSA-N;116.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114526;MM114526;CCC#CC(F)C=O;KNWVQRXLRHWNLY-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114527;MM114527;CCC#CC(F)C#N;ZCKXSDBQXDKVFP-UHFFFAOYSA-N;111.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114528;MM114528;O=CC(F)C#CCF;JXCWQGYOKFCEDR-UHFFFAOYSA-N;118.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114529;MM114529;N#CC(F)C#CCF;SWKRBAHMTSZHAU-UHFFFAOYSA-N;115.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114530;MM114530;C=CC#CC(C)C=C;MKOTWHSKXYVPOM-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114531;MM114531;C=CC(C)C#CC=O;ROWUHEQVFDUAGZ-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114532;MM114532;C=CC#CC(C)C=O;PXPFQWRVQFYLGN-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114533;MM114533;CC(C#CC=O)C=O;RRSGUIYCCUGNLJ-UHFFFAOYSA-N;110.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114534;MM114534;C=CC#CC(O)C=C;XARQPRWUWOTJJQ-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114535;MM114535;C=CC#CC(O)C=O;XKUMPBUKDXXSET-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114536;MM114536;C=CC#CC(F)C=C;BKYGVTVAZQXVBJ-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114537;MM114537;C=CC(F)C#CC=O;UPCIEDFLFPIQKE-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114538;MM114538;C=CC(F)C#CC#N;LVTQQMGYLALLEV-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114539;MM114539;C=CC#CC(F)C=O;TWIXRVIPKWWHLK-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114540;MM114540;C=CC#CC(F)C#N;DHLAHABPBXJLHI-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114541;MM114541;C#CC#CC(C)C=C;DXYSSSLEKDXZTF-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114542;MM114542;C#CC#CC(C)C=O;POFQUUGCZCMFAD-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114543;MM114543;C#CC#CC(O)C=C;QDWDAWJYZMHUPK-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114544;MM114544;C#CC#CC(F)C=C;NWTXFADKTJVLHO-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114545;MM114545;C#CC#CC(F)C=O;VNACBRQMGMRWAU-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114546;MM114546;C#CC#CC(F)C#N;OPUFCKHRCNZQHD-UHFFFAOYSA-N;107.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114547;MM114547;C#CC(C)C#CCC;FXUSKJNGNUJNLK-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114548;MM114548;C#CC(C)C#CCN;ABBHDBPCSXBNBE-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114549;MM114549;C#CC(C)C#CCO;SMYPXSVWBQHBLJ-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114550;MM114550;C#CC(C)C#CCF;OWRCMDVQJYGQSV-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114551;MM114551;C#CC(F)C#CCC;RIFMJAXMBIXNKG-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114552;MM114552;C#CC(F)C#CCF;MAXUKIQMPILQGB-UHFFFAOYSA-N;114.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114553;MM114553;C#CC(C)C#CC=C;IXNPKKPOOGDWIA-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114554;MM114554;C#CC(C)C#CC=O;ZUKXKTGJQBQQMU-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114555;MM114555;C#CC(C)C#CC#N;CFYAETKMFIZZEM-UHFFFAOYSA-N;103.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114556;MM114556;C#CC(F)C#CC=C;QCBYRNCASPBUNL-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114557;MM114557;C#CC(F)C#CC#N;GWLSZLFAONTJAH-UHFFFAOYSA-N;107.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114558;MM114558;C#CC#CC(F)C#C;NSZQOJZHBMXBOA-UHFFFAOYSA-N;106.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114559;MM114559;C=C(C#CCC)CC;RNIBGKFEAZJARH-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114560;MM114560;C=C(C#CCN)CC;KVGLVNKHBCVMOD-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114561;MM114561;C=C(C#CCO)CC;RMRXSECITJSHLW-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114562;MM114562;C=C(C#CCF)CC;HLXHTTNIPLQKJO-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114563;MM114563;C=C(C#CCC)CN;FOYJDHMIXVGLRW-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114564;MM114564;C=C(C#CCO)CN;ODBLTAZIRDLIOO-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114565;MM114565;C=C(C#CCC)CO;DUROQPGUAYNRKY-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114566;MM114566;C=C(C#CCN)CO;RJYIJZAHRJVKOO-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114567;MM114567;C=C(C#CCF)CO;QEURJGOUYLQEJQ-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114568;MM114568;C=C(C#CCC)CF;GFQADBDYVJRWEW-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114569;MM114569;C=C(C#CCF)CF;WKBFHAAPJVXKMP-UHFFFAOYSA-N;116.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114570;MM114570;CCC#CC(=O)CC;VUAGKFJEGWHTOP-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114571;MM114571;CCC(=O)C#CCF;WCCQHDHFPDLTLP-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114572;MM114572;CCC#CC(=O)CO;SBKNGYYDLQUCIG-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114573;MM114573;O=C(C#CCO)CO;DNYAAYOGYMRQLA-UHFFFAOYSA-N;114.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114574;MM114574;CCC#CC(=O)CF;PCOSMCOWBNWGNS-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114575;MM114575;O=C(C#CCF)CF;WETFZGFPLFPUDP-UHFFFAOYSA-N;118.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114576;MM114576;CNC(=N)C#CCO;LTTOGVYKPKEBCO-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114577;MM114577;N=C(C#CCO)NN;NJCDUHYWFLHTHY-UHFFFAOYSA-N;113.12;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114578;MM114578;NNC(=O)C#CCF;XIMYUHGHDGYSMC-UHFFFAOYSA-N;116.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114579;MM114579;O=C(C#CCO)NO;ANXJJAMISHLNMP-UHFFFAOYSA-N;115.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114580;MM114580;O=C(C#CCF)NO;KVNVOVCWYMVDCH-UHFFFAOYSA-N;117.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114581;MM114581;C=C(C#CCC)OC;LOKFBZIZUMELLJ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114582;MM114582;C=C(C#CCF)OC;PDSVOPUYAKTHKX-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114583;MM114583;CCC#CC(=O)OC;PUMCQAGLTAGULO-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114584;MM114584;C=CC#CC(=C)CC;FHAJGLRXAYQEON-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114585;MM114585;C=C(C#CC=O)CC;QBFVPJUCCOXWHY-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114586;MM114586;C=CC#CC(=C)CO;ZGHISKAGNPTKKS-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114587;MM114587;C=CC#CC(=C)CF;CBBSGVPCKWNRAW-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114588;MM114588;C=C(C#CC=O)CF;NGIFJERNLRUAQX-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114589;MM114589;C=C(C#CC#N)CF;CWTKDXJCKSKQFH-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114590;MM114590;C=CC#CC(=O)CC;XLOWYLSKTWDBLR-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114591;MM114591;C=CC#CC(=O)CF;UIJDMTBPCYVLSP-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114592;MM114592;O=CC#CC(=O)CF;ZPDRGLALNCAGDA-UHFFFAOYSA-N;114.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114593;MM114593;N#CC#CC(=O)NO;BQJINISMACENRT-UHFFFAOYSA-N;110.07;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114594;MM114594;C=CC#CC(=C)OC;QRRYDVXUVHMBED-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114595;MM114595;C=C(C#CC#N)OC;SLEYWLCYDBXEPB-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114596;MM114596;COC(=O)C#CC#N;NLQYMLGTNHPHKS-UHFFFAOYSA-N;109.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114597;MM114597;C#CC#CC(=C)CC;MGGAYGKLWITSLO-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114598;MM114598;C#CC#CC(=C)CN;LHFDSGUTVDHDEF-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114599;MM114599;C#CC#CC(=O)CC;TXQOFPBBUQTJSD-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114600;MM114600;C#CC#CC(=O)CF;WSYZKOVRIPOWIH-UHFFFAOYSA-N;110.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114601;MM114601;C#CC#CC(=C)OC;FUCYSIQPYJUIOY-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114602;MM114602;C=CC(=C)C#CCC;AEIGZYQLKUKOCY-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114603;MM114603;C=CC(=C)C#CCN;FZXHHFSEDWVVRI-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114604;MM114604;C=CC(=C)C#CCO;IQEHDZWHAXQTFI-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114605;MM114605;C=CC(=C)C#CCF;RWOVFSYWBYMUNT-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114606;MM114606;C=C(C#CCC)C=O;PZBHHRRWYONWCR-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114607;MM114607;C=C(C#N)C#CCC;IMGOJQVZHXFNCU-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114608;MM114608;C=C(C#CCO)C=O;IPKNCUDWYNGTNM-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114609;MM114609;C=C(C#N)C#CCO;ZSIWUKBOGGXFAW-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114610;MM114610;C=C(C#CCF)C=O;WESDZFNCFZZIKR-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114611;MM114611;C=C(C#N)C#CCF;CCXJLUUWPIISTI-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114612;MM114612;C=CC(=O)C#CCC;MHGHGQSPGZEAHL-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114613;MM114613;C=CC(=O)C#CCF;MGMFAKQEGLQBDE-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114614;MM114614;CCC#CC(=O)C=O;AGHIOVHUNMPWOJ-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114615;MM114615;CCC#CC(=O)C#N;QEVFEPCNAUJEHB-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114616;MM114616;O=CC(=O)C#CCO;AYWAPDFRNXDMGT-UHFFFAOYSA-N;112.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114617;MM114617;C=CC#CC(=C)C=C;BHTUJDAEOPLFCD-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114618;MM114618;C=CC(=C)C#CC=O;VPWVQOQFQZKJPL-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114619;MM114619;C=CC#CC(=C)C=O;KPMNIBFYJHRJFR-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114620;MM114620;C=CC#CC(=C)C#N;UDNJDLBAYCORMG-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114621;MM114621;C=C(C#N)C#CC=O;FJLBWGCDYFVBOE-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114622;MM114622;C=CC#CC(=O)C=C;RQGHVHWCRMLOJO-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114623;MM114623;C#CC#CC(=C)C=C;QBJAMGWZOKRIAB-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114624;MM114624;C#CC#CC(=O)C=O;XCDAIFDUHABTHJ-UHFFFAOYSA-N;106.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114625;MM114625;C#CC(=C)C#CCC;PPWNHZPXGABWFI-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114626;MM114626;C#CC(=C)C#CCF;PWLHFAPKBXMOSQ-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114627;MM114627;C#CC(=O)C#CCC;GIDLKZWVGOOLGO-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114628;MM114628;C#CC(=C)C#CC=C;FBMLFOUXWHKDCR-UHFFFAOYSA-N;102.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114629;MM114629;CC=C(C)C#CCC;YWYGIJFTIJPZFV-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114630;MM114630;CC=C(C)C#CCN;CMSZIYRARLUMHF-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114631;MM114631;CC=C(C)C#CCO;XNTIFNFQFLIEQX-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114632;MM114632;CC=C(C)C#CCF;YDXXYRNQLNTWOD-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114633;MM114633;CCC#CC(C)=CF;OIKNOUOZLOKNGE-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114634;MM114634;CC(C#CCF)=CF;MTTBGRHTCUSBCM-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114635;MM114635;CC=C(F)C#CCC;KYWMSKXCBGAYDJ-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114636;MM114636;CC=C(F)C#CCN;IQPZEXDGFJZQLJ-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114637;MM114637;CC=C(F)C#CCF;IFRMJNCOBGTSTF-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114638;MM114638;CCC#CC(F)=CF;KMEPWDQZICNLCH-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114639;MM114639;NCC#CC(F)=CF;NHLHILQIVFNJLB-UHFFFAOYSA-N;117.1;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114640;MM114640;OCC#CC(F)=CF;UCEAOZHGXLIIMQ-UHFFFAOYSA-N;118.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114641;MM114641;FC=C(F)C#CCF;ICDOGHAUEYTPRE-UHFFFAOYSA-N;120.07;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114642;MM114642;CCC#CC(C)=NN;IAGCBRXGNWLYCY-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114643;MM114643;CCC#CC(C)=NO;ZPCLSULDYMLHDO-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114644;MM114644;C=CC#CC(C)=CC;IUJPAKLUFFGZDY-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114645;MM114645;CC=C(C)C#CC=O;RQKZZNZHDDSOFI-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114646;MM114646;C=CC#CC(C)=CF;GKWHQYPUPGIMEL-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114647;MM114647;CC(C#CC=O)=CF;LVFQUPMGIBFZQL-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114648;MM114648;C=CC#CC(F)=CC;CEOGZIWFDUWOFW-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114649;MM114649;CC=C(F)C#CC=O;ACVMQYZTCULXOG-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114650;MM114650;CC=C(F)C#CC#N;KXRRHWOWLLHZFX-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114651;MM114651;C=CC#CC(F)=CF;KYCLBFCXJBCINC-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114652;MM114652;O=CC#CC(F)=CF;GXUMBQMPRSJIKS-UHFFFAOYSA-N;116.07;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114653;MM114653;N#CC#CC(F)=CF;ZNWCHJWBFGCFAI-UHFFFAOYSA-N;113.07;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114654;MM114654;C=CC#CC(C)=NN;ZZGLIWFZSFQDAR-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114655;MM114655;C#CC#CC(F)=CC;REQGOPDEXHIMJK-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114656;MM114656;C#CC#CC(F)=CF;BBTMUCWBOGGXNV-UHFFFAOYSA-N;112.08;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114657;MM114657;C#CC#CC(C)=NN;LQJMPCORNDWZRW-UHFFFAOYSA-N;106.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114658;MM114658;CCCC=C(C)CC;AAUHUDBDDBJONC-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114659;MM114659;CCC(C)=CCCN;PLBCYSPOAPIZGY-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114660;MM114660;CCC(C)=CCCO;OPKSUXHYTUKXGR-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114661;MM114661;CCC(C)=CCCF;LOZRGUBWAZPQLC-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114662;MM114662;CCCC=C(C)CN;KQHGTLFYJKCBGO-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114663;MM114663;CCCC=C(C)CO;OINVDSYSIBMROP-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114664;MM114664;CC(=CCCN)CO;SERGIWOPTRKFMY-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114665;MM114665;CC(=CCCF)CO;AMCSMKMTGYPXDM-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114666;MM114666;CCCC=C(C)CF;LCVVSOBNMAAMHY-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114667;MM114667;CC(=CCCF)CF;JUHANVNLRLANCN-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114668;MM114668;CCCC=C(F)CC;KCPPEOGDWGSNNF-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114669;MM114669;CCC(F)=CCCN;NHZYZWSACQFUJX-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114670;MM114670;CCC(F)=CCCO;DAXDGPOLUCLKQZ-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114671;MM114671;CCC(F)=CCCF;RXGAAVOGRNYLRO-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114672;MM114672;NCCC=C(F)CN;HZEMYRCTSKWQBR-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114673;MM114673;CCCC=C(F)CO;SSTVPGQVPMHEFN-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114674;MM114674;OCCC=C(F)CO;MJGGPHSPDCOBOB-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114675;MM114675;CCCC=C(F)CF;QFFSNCDESMMGIQ-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114676;MM114676;FCCC=C(F)CF;ZOHHFFDMEWXCGM-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114677;MM114677;CCC(C)=CCNC;QHTJIQXGQSWRFY-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114678;MM114678;CCC(F)=CCNC;CONLDNXKUDSCDM-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114679;MM114679;CNCC=C(F)CN;LKCYBOGVRMSUSG-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114680;MM114680;CNCC=C(F)CO;CLEYXGHBNITUEJ-UHFFFAOYSA-N;119.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114681;MM114681;CCC(C)=CCOC;XQUJMPIRCHNWFI-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114682;MM114682;COCC=C(C)CO;ZOFGKJCFKDDCBO-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114683;MM114683;COCC=C(C)CF;WZIUKUYTAKOBAD-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114684;MM114684;CCC(F)=CCOC;GKLXLBWKFGZRIG-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114685;MM114685;COCC=C(F)CF;KXGCTMDCAJXIKS-UHFFFAOYSA-N;122.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114686;MM114686;CCCC=C(C)OC;FVJSGOYSGDEXSS-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114687;MM114687;COC(C)=CCCN;GJSDHYJHWSDBDJ-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114688;MM114688;COC(C)=CCCO;LXPJYFQYIQRXLQ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114689;MM114689;COC(C)=CCCF;LCWUQKXLLBEQSM-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114690;MM114690;CNCC=C(C)OC;RCENUXXHLLBZMQ-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114691;MM114691;COCC=C(C)OC;WNJNQISEVSERGB-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114692;MM114692;CCOC=C(C)CC;ZCCDVOJTZWJFSG-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114693;MM114693;CCOC=C(C)CN;ASKOQWGWRABBFY-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114694;MM114694;CCOC=C(C)CO;QRSPEWQGVBPZGX-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114695;MM114695;CCOC=C(C)CF;VWUJMZBHDDOUCD-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114696;MM114696;CCOC=C(F)CC;BYFJQEBCQMAPNB-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114697;MM114697;CCOC=C(F)CO;KVRWFLQJJWNSLJ-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114698;MM114698;CCOC=C(F)CF;HXOFSTPEKLFDSN-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114699;MM114699;CC(=NO)C(=CN)CCO;PEYCCRZNDJTAOY-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114700;MM114700;CCNN=C(C)CC;PCKXYWXISYJOTB-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114701;MM114701;CCON=C(C)CC;CUALOUWRUQJEIP-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114702;MM114702;CCON=C(C)CF;SWNMYJRFEOFMRE-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114703;MM114703;C=CCC=C(C)CC;DOGRYWZHOBYUMD-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114704;MM114704;CCC(C)=CCC=O;ZOCFUJFUCPEXCI-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114705;MM114705;CCC(C)=CCC#N;VSUWFYPQNSPHJA-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114706;MM114706;C=CCC=C(C)CO;ZKABCFDMSXBWFC-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114707;MM114707;C=CCC=C(C)CF;GTQKEXVFRSRJMY-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114708;MM114708;CC(=CCC#N)CF;MDOUGMZPGHIOSG-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114709;MM114709;C=CCC=C(F)CC;BTUDBPUDIRRGOI-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114710;MM114710;CCC(F)=CCC=O;SPRIHDRQVXLRKS-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114711;MM114711;CCC(F)=CCC#N;MUQZOYUGFJDWCP-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114712;MM114712;C=CCC=C(F)CF;WHILQMDPHYXCKA-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114713;MM114713;O=CCC=C(F)CF;DUGYSBZDYACJMP-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114714;MM114714;N#CCC=C(F)CF;RPZHERPSXFETNL-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114715;MM114715;C=CCC=C(C)OC;KPZYCKRDDNJTCM-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114716;MM114716;COC(C)=CCC=O;QGYLWQOYIWLXLK-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114717;MM114717;COC(C)=CCC#N;MPOJGEYTBHKQHZ-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114718;MM114718;CCC(C)=CNC=O;QUMSFCGRKVARIH-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114719;MM114719;CC(=CNC=N)CN;SOJDECJJRLPHAK-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114720;MM114720;CC(=CNC=O)CN;MBEBKHREPNBLJS-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114721;MM114721;CC(=CNC=N)CO;ASTWPTYVWHEAOF-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114722;MM114722;CC(=CNC=O)CO;OMKRMSOVPVUBMP-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114723;MM114723;CCC(F)=CNC=N;CGFHUNXTZNFAHQ-UHFFFAOYSA-N;116.14;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114724;MM114724;CCC(F)=CNC=O;GJIVBXQFTBOSCF-UHFFFAOYSA-N;117.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114725;MM114725;N=CNC=C(F)CN;QFSSWPWHNDGKGA-UHFFFAOYSA-N;117.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114726;MM114726;N=CNC=C(F)CO;KVVRPIJDCRSNMM-UHFFFAOYSA-N;118.11;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114727;MM114727;O=CNC=C(F)CO;KOILLMADRQLWIC-UHFFFAOYSA-N;119.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114728;MM114728;COC(C)=CNC=N;VQVCWZOMSCKUGH-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114729;MM114729;COC(C)=CNC=O;ODYOLOWURDWDGR-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114730;MM114730;C=COC=C(C)CC;XGEBKYAQIQUJPT-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114731;MM114731;CCC(C)=COC=O;IHJKWDCSDOAWDY-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114732;MM114732;C=COC=C(C)CN;GXKNCXUIZCJGBB-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114733;MM114733;C=COC=C(C)CO;YZTXVJILDVHIOM-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114734;MM114734;C=COC=C(C)CF;BJDDLTGYEGBLCU-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114735;MM114735;CC(=COC=O)CF;AARYFNQCIXPPLZ-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114736;MM114736;C=COC=C(F)CC;JXOGTWFMABEFBS-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114737;MM114737;CCC(F)=COC=O;AHABWVWBWQTPGK-UHFFFAOYSA-N;118.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114738;MM114738;C=COC=C(F)CF;VWJAEAPZYYMARX-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114739;MM114739;O=COC=C(F)CF;OHJRRGYRGLNMEY-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114740;MM114740;C=COC=C(C)OC;GOPTYTJGVCFNQN-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114741;MM114741;COC(C)=COC=O;PCLFREFYKIJHHP-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114742;MM114742;CC(CN)=NNC=O;JZSNVHUJGJPATN-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114743;MM114743;CC(CO)=NNC=O;DXBXCNXYBFEJMP-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114744;MM114744;COC(C)=NNC=O;AMMXUMPCUPNUID-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114745;MM114745;CCC(C)=NOC=O;FLWHWRIUHKQYQA-UHFFFAOYSA-N;115.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114746;MM114746;CC(=NO)NOC=O;IQXLPGXBOXPANY-UHFFFAOYSA-N;118.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114747;MM114747;C#CCC=C(C)CC;YNJLPBMCJLLBEG-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114748;MM114748;C#CCC=C(C)CN;CRYOFXPRYSHBTE-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114749;MM114749;C#CCC=C(C)CO;XGMLGIJGZXLIAN-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114750;MM114750;C#CCC=C(C)CF;ALXAACJNMIWENE-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114751;MM114751;C#CCC=C(F)CC;KDYSHQAZASGNBQ-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114752;MM114752;C#CCC=C(F)CF;GJQQKWQRLLKANF-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114753;MM114753;C#CCC=C(C)OC;BTPQPYJKNYWKIX-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114754;MM114754;C=CC(C)=CCCC;GITIYCQMJWQMKC-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114755;MM114755;C=CC(C)=CCCN;WTNOPFOAVOQUOO-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114756;MM114756;C=CC(C)=CCCO;NNGVLPJYESSKNP-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114757;MM114757;C=CC(C)=CCCF;BUWHUPWMGJOVGR-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114758;MM114758;CCCC=C(C)C=O;BRLKFSODKAIVGM-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114759;MM114759;CC(C#N)=CCCO;TVSGYFGHTQACOW-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114760;MM114760;CC(C=O)=CCCF;TUEONEYBOJPEGG-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114761;MM114761;CC(C#N)=CCCF;DCLDTPXSBOPLEY-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114762;MM114762;C=CC(F)=CCCC;HOHGCRNTFSJKAT-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114763;MM114763;C=CC(F)=CCCN;RAAUEIBNNFLDSC-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114764;MM114764;C=CC(F)=CCCO;IQPAXKITZNXHHT-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114765;MM114765;C=CC(F)=CCCF;OQEGRGHWLPIOKM-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114766;MM114766;CCCC=C(F)C=O;LXJWDWJOVZSKAS-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114767;MM114767;CCCC=C(F)C#N;JWKVGNMXPAKGQU-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114768;MM114768;N#CC(F)=CCCO;AHOVECOZYQBATL-UHFFFAOYSA-N;115.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114769;MM114769;C=CC(F)=CCNC;CBZDCSZUDJOSOM-UHFFFAOYSA-N;115.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114770;MM114770;C=CC(C)=CCOC;WSLPIQSNOUVHHF-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114771;MM114771;C=CC(F)=CCOC;ZYYGHDQZVWSZHL-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114772;MM114772;COCC=C(F)C#N;XCSKNZIAKAGOGH-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114773;MM114773;CCNC=C(C)C=O;KFYMLEKGIIYGLE-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114774;MM114774;C#CCNC(CCO)=NO;SVTUGSHEWCWOJO-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114775;MM114775;C=CC(C)=COCC;CIYMVBHNMGFWGC-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114776;MM114776;CCOC=C(C)C=O;KDOAHVPFGIYCEU-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114777;MM114777;CCOC=C(C)C#N;JFBHVVYTNQTFOR-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114778;MM114778;C=CC(F)=COCC;PJSKKQPLJBMCGD-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114779;MM114779;CCOC=C(F)C=O;CQILUWAYMCGVSB-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114780;MM114780;CCOC=C(F)C#N;OLTDNRYXAYZHPN-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114781;MM114781;C=CC(C)=NNCC;REPZGSQBGKDUME-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114782;MM114782;CCCN1C=NC(=NO)C1;ZPKLAWQKTBTDEH-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114783;MM114783;C=CC(C)=NOCC;UZKCBPNPNSBABY-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114784;MM114784;CCON=C(C)C=O;NDCONGAWSISWIA-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114785;MM114785;CCON=C(C)C#N;ZBUBDWCLCKDXER-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114786;MM114786;C=CCC=C(C)C=C;FPFFMFXHRMUXKQ-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114787;MM114787;C=CC(C)=CCC#N;KGVDGGZQWGXTAU-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114788;MM114788;C=CCC=C(C)C=O;XSCSLWIOLFVRPX-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114789;MM114789;C=CCC=C(C)C#N;RHMBFRVEZALXEY-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114790;MM114790;CC(C=O)=CCC=O;XFHILRUZNAUFRY-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114791;MM114791;C=CCC=C(F)C=C;KZLJDKLNISOWBR-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114792;MM114792;C=CC(F)=CCC=O;YEALEVXWFUZGBO-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114793;MM114793;C=CC(F)=CCC#N;ZYCJYJDSYFFEGJ-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114794;MM114794;C=CCC=C(F)C=O;DOZDWMYJYOHCDJ-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114795;MM114795;C=CCC=C(F)C#N;LOGMCJOKDJGKOS-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114796;MM114796;O=CCC=C(F)C=O;CMZGMDLYQNXTRD-UHFFFAOYSA-N;116.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114797;MM114797;N#CC(F)=CCC=O;WXVCXEKZBDEBAD-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114798;MM114798;N#CCC=C(F)C#N;YFGNMBCARDELAM-UHFFFAOYSA-N;110.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114799;MM114799;C=CC(C)=CNC=O;XKQWUTAVXYQSAV-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114800;MM114800;CC(C=O)=CN=CN;PHRXFLXOWBUNNK-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114801;MM114801;C=CC(F)=CNC=N;HNYPCWYBAYBODZ-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114802;MM114802;C=CC(F)=CNC=O;IONQVWOBYHNTPP-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114803;MM114803;N#CC(F)=CNC=N;HXRFGYSYSFEXMM-UHFFFAOYSA-N;113.1;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114804;MM114804;O=CNC=C(F)C=O;APCCFEMTZFBBGW-UHFFFAOYSA-N;117.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114805;MM114805;N#CC(F)=CNC=O;VEUDSDOEESPIIN-UHFFFAOYSA-N;114.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114806;MM114806;CCCC1=NC(=NO)CN1;MYBBNSZGSRVOKY-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114807;MM114807;N=CNC(=O)CC(F)F;IGYKVBQNBQFVIC-UHFFFAOYSA-N;136.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114808;MM114808;C=COC=C(C)C=C;XXIKVYKNFFPUNM-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114809;MM114809;C=CC(C)=COC=O;WFGBDCBUPOYJRP-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114810;MM114810;CC(C#N)=COC=O;ZGZDDGKPYJKHKC-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114811;MM114811;C=COC=C(F)C=C;LPOKFOBSYZCJCA-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114812;MM114812;C=CC(F)=COC=O;VCUUXDUJQIVDOX-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114813;MM114813;C=COC=C(F)C=O;IFMLFGFIQRNEKD-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114814;MM114814;C=COC=C(F)C#N;UOCZVSKUBWCYOX-UHFFFAOYSA-N;113.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114815;MM114815;N#CC(F)=COC=O;BUGIAJMPMJQOKZ-UHFFFAOYSA-N;115.06;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114816;MM114816;C=CC(C)=NOC=O;LPBXDQMFLXQCJH-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114817;MM114817;CC(C=O)=NOC=O;IUEBFBRGSDGEDB-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114818;MM114818;C#CCC=C(C)C=C;LRSILTAPYURRPV-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114819;MM114819;C#CCC=C(C)C=O;YALXSFIXHAZBGH-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114820;MM114820;C#CCC=C(C)C#N;ZJTREUMKAAFBIG-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114821;MM114821;C#CCC=C(F)C=C;NJMGRIXTJIWUQQ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114822;MM114822;C#CCC=C(F)C=O;OOHVLFXRLNFNEU-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114823;MM114823;C#CC(C)=CCCC;RUZDSPQJEMJXEB-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114824;MM114824;C#CC(C)=CCCN;LOVQFIWYSGTRFG-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114825;MM114825;C#CC(C)=CCCO;VAKGGRVYIDBZPU-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114826;MM114826;C#CC(C)=CCCF;VHGQCYIMWARJNC-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114827;MM114827;C#CC(F)=CCCC;DXJCYFBUMADPCL-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114828;MM114828;C#CC(F)=CCCN;FKHXOMNIXRWURI-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114829;MM114829;C#CC(F)=CCCO;GCGZWLWGFPDQLZ-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114830;MM114830;C#CC(F)=CCCF;AASWNJIENIQVDJ-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114831;MM114831;C#CC(C)=CCOC;GQJBQWRJGKVJSL-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114832;MM114832;C#CC(F)=CCOC;FVKZIVMBQUHPHN-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114833;MM114833;C#CC(C)=COCC;ZRIYNKUQYKQRQK-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114834;MM114834;C#CC(F)=COCC;HXJJQGYMNMCPKZ-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114835;MM114835;C#CC(C)=NOCC;MIMXRYMCPULVLO-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114836;MM114836;C#CC(C)=CCC=C;UVKXHDZZUVRPPI-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114837;MM114837;C#CC(C)=CCC#N;JFCXCDBRTDTGQZ-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114838;MM114838;C#CC(F)=CCC=C;CFNMCGPWEKBUEM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114839;MM114839;C#CC(F)=CCC#N;DKIPRCOBWJMLAS-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114840;MM114840;C#CC(C)=CNC=N;CIHOWYLVQJYWOS-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114841;MM114841;C#CC(C)=CNC=O;CDNGSSISSCKFLZ-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114842;MM114842;C#CC(C)=COC=C;HLKJLVKCRRMJHB-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114843;MM114843;C#CC(C)=COC=O;CTRBLDDSKJEEDU-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114844;MM114844;C#CC(F)=COC=C;NIOZOFNDRNKIJH-UHFFFAOYSA-N;112.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114845;MM114845;C#CC(F)=COC=O;BWALVBGXQSXENJ-UHFFFAOYSA-N;114.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114846;MM114846;C#CC(C)=NOC=O;AWRLCBQUHWSSCS-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114847;MM114847;C#CCC=C(C)C#C;QZHCHCARITVFPU-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114848;MM114848;C#CCC=C(F)C#C;JTHIEPANHCMTMT-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114849;MM114849;CC=CC=C(C)CC;KMPOYSGJSUQYAA-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114850;MM114850;CCC(C)=CC=CF;PIXVAMWXOIWTAY-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114851;MM114851;CC=CC=C(C)CN;GFMOPEPQQUGPTJ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114852;MM114852;CC=CC=C(C)CO;QFTULYGLRMZVOD-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114853;MM114853;CC(=CC=CF)CO;MRCNNEOPFXDXFP-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114854;MM114854;CC=CC=C(C)CF;MHXHTFFJVZRNQN-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114855;MM114855;CC(=CC=CF)CF;OTWKHRSIUQBUNS-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114856;MM114856;CC=CC=C(F)CC;HVPYWACXQSNDGD-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114857;MM114857;CCC(F)=CC=CF;MBZVBKPNRJTPDJ-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114858;MM114858;CC=CC=C(F)CO;VCOKGFUUQHLSBE-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114859;MM114859;CC=CC=C(F)CF;RDYHWUCTZFFACO-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114860;MM114860;FC=CC=C(F)CF;MDIMFDXFZJLAHP-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114861;MM114861;CCC(C)=CC=NN;UBWZVCKNLBXWKE-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114862;MM114862;CC(=N)NC(=O)NC=O;CKUYOYOMCJSTFC-UHFFFAOYSA-N;129.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114863;MM114863;C=CC(=N)NC(=O)NN;LPLOUFJEKCBTIW-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114864;MM114864;NCC(N)=CC=NO;UMBSCVZUMURIQN-UHFFFAOYSA-N;115.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114865;MM114865;CC(=NO)NCC(F)F;QVPJZPAHKNMIAQ-UHFFFAOYSA-N;138.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114866;MM114866;CC=Cc1cn(O)cn1;RLPVWPRCXQSHTG-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114867;MM114867;CCC(F)=CC=NN;QTLGULFBTAYIMX-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114868;MM114868;CCC(F)=CC=NO;SKPBGOLRZJONMF-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114869;MM114869;ON=C1CC=C(CF)N1;IOENZHNMFZSBGV-UHFFFAOYSA-N;130.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114870;MM114870;NN=CC=C(F)CF;PDINHUVGWFKWQK-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114871;MM114871;CN=C(C)C=CNO;AHZDVAOULOIETJ-UHFFFAOYSA-N;114.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114872;MM114872;CNC(=N)C=CNO;DTHJUXDFBKGUPR-UHFFFAOYSA-N;115.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114873;MM114873;CC=CC=C(C)OC;HYQKZZBTLIMTHT-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114874;MM114874;COC(C)=CC=CF;FPQZXSRFCCPSIG-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114875;MM114875;COC(C)=CC=NN;NRVRKAMUMUWNCJ-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114876;MM114876;COC(C)=CC=NO;KKZIPFNSQUESBG-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114877;MM114877;CC=NN=C(C)CC;XAQCLTFLNSOYBL-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114878;MM114878;CC=NN=C(C)CO;HZUGVWJWADFUAX-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114879;MM114879;CC=NN=C(C)CF;OZSFUFMMIVWZRU-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114880;MM114880;C=CC(C)=CC=CC;JHLUZZZZJZJUTJ-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114881;MM114881;C=CC(C)=CC=CF;NVUBAGBWLCXFLM-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114882;MM114882;CC=CC=C(C)C=O;USLLTQZDXQTRIR-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114883;MM114883;CC=CC=C(C)C#N;JHIZWRSITHPFOE-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114884;MM114884;CC(C=O)=CC=CF;GVZREYJDQCGRMA-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114885;MM114885;CC(C#N)=CC=CF;BGCBIPCNMLKAGS-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114886;MM114886;C=CC(F)=CC=CC;JNGYCQRRDXWLAA-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114887;MM114887;C=CC(F)=CC=CF;PATPDXWKRYHVLE-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114888;MM114888;CC=CC=C(F)C=O;WWSUFQBGGWCSML-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114889;MM114889;CC=CC=C(F)C#N;QTYKULPXVCBXPP-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114890;MM114890;O=CC(F)=CC=CF;KUJHJBLERVLSEV-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114891;MM114891;N#CC(F)=CC=CF;QPJULAVTOZHLAO-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114892;MM114892;C=CC(C)=CC=NN;LLFGAXIVOPGYHG-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114893;MM114893;C#CC1=CNC(=NO)C1;GJROPVQTXLWKCE-UHFFFAOYSA-N;122.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114894;MM114894;CC(C#N)=CC=NO;UBAVNHHJNHGCDL-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114895;MM114895;NC(C=O)=CC=NO;GEVMJGQYLCJBQG-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114896;MM114896;N#CC(N)=CC=NO;IGYLRRXVKHOOIQ-UHFFFAOYSA-N;111.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114897;MM114897;C=CC(F)=CC=NN;UEJJKVJUZCHFQP-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114898;MM114898;C=CC(F)=CC=NO;MXLARZJAZBLJIQ-UHFFFAOYSA-N;115.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114899;MM114899;CC=NN=C(C)C=O;PHOSHJSRIWEHJK-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114900;MM114900;CC=NN=C(C)C#N;NNSYBWOUOCGPGE-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114901;MM114901;C#CC(C)=CC=CC;XTFSYSCRTJRDMX-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114902;MM114902;C#CC(C)=CC=CF;HCCLFJLJCJWRLQ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114903;MM114903;C#CC(F)=CC=CC;RTYPBKHRXLNBHU-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114904;MM114904;C#CC(F)=CC=CF;SZNNZHZBPUZRMJ-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114905;MM114905;C#CC(C)=CC=NN;PZJAOCIHBBSEGN-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114906;MM114906;C#CC(C)=CC=NO;VGXXEBLRTJDMLJ-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114907;MM114907;C#CC(F)=CC=NN;VZXUQEQSGHQNOC-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114908;MM114908;CC#CC=C(C)CC;KLAGMSOCNULJTF-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114909;MM114909;CC#CC=C(C)CN;RPFBRMHNPFTQNL-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114910;MM114910;CC#CC=C(C)CO;XOCOMTMTKLPKJI-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114911;MM114911;CC#CC=C(C)CF;RSNUMRVGCSZNDL-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114912;MM114912;CC#CC=C(F)CC;VNSJXYOWADYGRC-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114913;MM114913;CC#CC=C(F)CO;ZHBRFMMGIMWMHE-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114914;MM114914;CC#CC=C(F)CF;QITQROFCFRMNSL-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114915;MM114915;CC#CC=C(C)OC;KSWGCMJMLRLDNZ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114916;MM114916;C=CC(C)=CC#CC;JKKIPHKWYPCTFG-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114917;MM114917;CC#CC=C(C)C=O;LPOCCDFVPDRKFW-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114918;MM114918;CC#CC=C(C)C#N;XCMBNMNTEUAPFA-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114919;MM114919;C=CC(F)=CC#CC;BUTZGZSBOIBXTB-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114920;MM114920;CC#CC=C(F)C=O;JBOZCVZKNWWNCE-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114921;MM114921;CC#CC=C(F)C#N;ZARJCOGGOMNMBK-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114922;MM114922;C#CC(C)=CC#CC;XUQHTEPZVSPUFP-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114923;MM114923;C#CC(F)=CC#CC;RDWXKHVDHVOIQP-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114924;MM114924;CCC1(C)CCC1C;NAWXPQNNBHCHDU-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114925;MM114925;CC1CCC1(C)CN;LDTYEAVTKRTUMG-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114926;MM114926;C=C(C=NO)NC(C)=NO;MRNQAPROQRKVFS-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114927;MM114927;CC1CCC1(C)CF;GJZNYVWUEBBDDU-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114928;MM114928;CCC1(C)CCC1N;WLNIKZSVLBZBFC-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114929;MM114929;CC1(CO)CCC1N;WSDMKPNIQSGOEZ-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114930;MM114930;CC1(CF)CCC1N;BTGHBIGOBWQDCX-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114931;MM114931;CC1(CN)CCC1O;VOTNOMFACRMRMI-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114932;MM114932;CC1(CO)CCC1O;IGRCBPCPWNYZCA-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114933;MM114933;CC1(CF)CCC1O;OPAJBTSSGOOBNV-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114934;MM114934;CC1(CO)CCC1F;USYCDEKOYNEUCC-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114935;MM114935;CC1(CF)CCC1F;YKSQHZMTVHZOLG-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114936;MM114936;CCC1(N)CCC1C;WMFPOXOMBSIEHW-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114937;MM114937;CC1CCC1(N)CN;XGUXKQCKFRIGNG-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114938;MM114938;CC1CCC1(N)CO;UZYLUJLBYHIKME-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114939;MM114939;CC1CCC1(N)CF;JYEQVXLWBGASKK-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114940;MM114940;CCC1(N)CCC1N;YRYCAYGEVGBZHF-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114941;MM114941;NC1CCC1(N)CO;KVFUMGQBZLYDTM-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114942;MM114942;NC1CCC1(N)CF;NIJKVFTUTZOVBQ-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114943;MM114943;CCC1(N)CCC1O;YHMAIORFAFSPQR-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114944;MM114944;NC1(CF)CCC1O;OMXIGHHNVRAEPW-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114945;MM114945;NCC1(N)CCC1F;NRURYDDUCWGEFY-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114946;MM114946;NC1(CO)CCC1F;GYUDHSOCGOLAOC-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114947;MM114947;CC(=O)NC(=N)N(C)C=O;YZGZTAKRNGHAAJ-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114948;MM114948;CC1CCC1(O)CN;PCHXXXFFBBFJDY-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114949;MM114949;CCC1(O)CCC1N;XNDRFZAGRZFARD-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114950;MM114950;NCC1(O)CCC1N;QXACFYBUCRYDPU-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114951;MM114951;NC1CCC1(O)CO;IXOIFQUNPYLLTM-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114952;MM114952;NCC1(O)CCC1O;TVYGHEFYJPALNN-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114953;MM114953;CCC1(O)CCC1F;XRSVAIJPUPGTHQ-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114954;MM114954;CCC1(F)CCC1C;AKUJMBWYGHFMEJ-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114955;MM114955;OCC1(F)CCC1O;XEGDVAUHUFGSGG-UHFFFAOYSA-N;120.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114956;MM114956;CNC1(C)CCC1C;KMIREJOIFIBDBR-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114957;MM114957;CCC1(C)CNC1C;APFONLYSGXZPFD-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114958;MM114958;CC1NCC1(C)CF;OKGYCZRWLGSVAQ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114959;MM114959;CCC1(N)CNC1C;AFDUHKDOIROPLU-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114960;MM114960;CC1NCC1(O)CN;RDROLMCICYOQJV-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114961;MM114961;CC1NCC1(O)CF;OJIOSGVVVPFHCP-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114962;MM114962;CCC1(N)COC1C;CGDNVEWPHZSTFS-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114963;MM114963;CC1OCC1(N)CN;MASJSZILHDFBHD-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114964;MM114964;CCC1(O)COC1C;XVMSLZCOCVXNTE-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114965;MM114965;CC1OCC1(O)CF;VOPZNINFFDYJFO-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114966;MM114966;CCC1(C)NCC1C;OCTPXWIMWFDZGR-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114967;MM114967;CC1CNC1(C)CN;QVKDEUBMLZUTNR-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114968;MM114968;CCC1(C)NCC1N;UHUGSCDHPJJJEH-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114969;MM114969;CCC1(C)OCC1C;MVLCTBKLRPCYKE-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114970;MM114970;CCC1(C)CCN1C;MAJVZTMYMYPVBW-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114971;MM114971;CN1CCC1(C)CN;VRHHDZBWJTYYTE-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114972;MM114972;CN1CCC1(C)CO;ZVFPVBUHJDAHNO-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114973;MM114973;C=CC1(C)CCC1C;NOADQKYOCMOFPN-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114974;MM114974;CC1CCC1(C)C=O;XOZNOMIRJFUXAB-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114975;MM114975;CC1CCC1(C)C#N;FCCXWUCFOTWRKM-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114976;MM114976;C=CC1(C)CCC1N;SVXGYPFCTJVGAI-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114977;MM114977;C=CN(N)C(=O)NC(C)=N;HSQHXLCVOHYTAS-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114978;MM114978;CC1(C#N)CCC1O;WADHODHKOLPUAR-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114979;MM114979;C=CC1(N)CCC1C;XKBNKYFTTSSAGK-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114980;MM114980;C=CC1(N)CCC1N;FCCYWSZHLYMDKP-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114981;MM114981;C=CC1(N)CCC1O;DQAYIKAICIQEFS-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114982;MM114982;C=CC1(N)CCC1F;PTDMXGJAQPDDJX-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114983;MM114983;C=C(C)N=C(C=NO)NN;NZMBVYPILFFMKE-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114984;MM114984;CC1CCC1(O)C#N;QSSKDQZYICDOMP-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114985;MM114985;C=CC1(O)CCC1N;IRDTVOUKFAMMCH-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114986;MM114986;C=CC1(O)CCC1O;LSGRDQWTWWULMZ-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114987;MM114987;O=CC1(O)CCC1O;SRMGUFUKSMOPHW-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114988;MM114988;CC1CCC1(F)C#N;MAPPIZZSEOPFDL-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114989;MM114989;C=CC1(F)CCC1N;QPURPHMCIHHTTH-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114990;MM114990;C=CC1(C)CNC1C;XFSXWBIWCHNXHN-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114991;MM114991;C=CC1(N)CNC1C;CNNQNCDKZNRQMN-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114992;MM114992;C=CC1(O)CNC1C;RPCZUZWHSYEXGN-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114993;MM114993;CC(N)=C(C=NO)C(C)C;QLWZTUBLMWVQBC-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114994;MM114994;C=CC1(C)COC1C;XCLURENVKFVXND-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114995;MM114995;CC1OCC1(C)C#N;CBAQDAKZDYLBER-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114996;MM114996;C=CC1(N)COC1C;ZUGUKZJVKAVIFV-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114997;MM114997;C=CC1(O)COC1C;URARMUHCSWSPFZ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114998;MM114998;CC1OCC1(O)C=O;LSOLIJSGQIZJQI-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM114999;MM114999;CC1OCC1(O)C#N;SPOIUHQGLAMNBG-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115000;MM115000;C=CC1(F)COC1C;YMSPYBDWYMIKMJ-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115001;MM115001;CC1OCC1(F)C#N;MDCQHTHLTIGCPC-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115002;MM115002;C=CC1(C)NCC1C;RTDVOTUFJQHDMA-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115003;MM115003;CC1CNC1(C)C=O;YNHCLXIMOPQHBE-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115004;MM115004;CC1CNC1(C)C#N;OHDGKHXPYUEXOD-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115005;MM115005;C=CC1(C)NCC1N;HRTOBWQGNTUXIC-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115006;MM115006;CC1(C#N)NCC1F;ULPKMAQQRUZCQU-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115007;MM115007;C=CC1(C)OCC1C;SCNIHKSNHXMONJ-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115008;MM115008;CC1COC1(C)C#N;FJXAPNLLXMTGSV-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115009;MM115009;C=CC1(C)CCN1C;MXSYRLGPZUAKRU-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115010;MM115010;CN1CCC1(C)C#N;KFMUUVRXCQADJC-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115011;MM115011;C#CC1(C)CCC1C;MRLDEZAFLYGLGP-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115012;MM115012;C#CC1(C)CCC1N;PPUYDEKCKPQMOU-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115013;MM115013;CC(=NO)NNC(=N)CF;YGNZPDRKKUFNDQ-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115014;MM115014;C#CC1(C)CCC1F;GNNCCZWGDXVLPC-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115015;MM115015;C#CC1(N)CCC1C;JNXKNTFATFCJNQ-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115016;MM115016;C#CC1(N)CCC1N;RRWHLOBDLPNWQB-UHFFFAOYSA-N;110.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115017;MM115017;C#CC1(N)CCC1O;ZENQWGLUSVAQOC-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115018;MM115018;C#CC1(O)CCC1C;UPRCDLXGXMKNIS-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115019;MM115019;C#CC1(O)CCC1N;AVIADTCLGXCPPW-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115020;MM115020;C#CC1(O)CCC1O;BZIUKSLMSIKFFC-UHFFFAOYSA-N;112.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115021;MM115021;C#CC1(F)CCC1C;DSKZSPVECDXDFL-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115022;MM115022;C#CC1(F)CCC1N;ZCRAWULETOPNFA-UHFFFAOYSA-N;113.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115023;MM115023;C#CC1(C)CNC1C;REYGEAKFCAMXNQ-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115024;MM115024;C#CC1(N)CNC1C;WYQGJXIVGBDFPA-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115025;MM115025;C#CC1(C)COC1C;XZWXXYLFMWRIHF-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115026;MM115026;C#CC1(O)COC1C;QKFKMPDLQPYXMD-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115027;MM115027;C#CC1(C)NCC1C;MSYGLYKDJGDCLC-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115028;MM115028;C#CC1(C)NCC1N;BONAZIMZHYFRST-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115029;MM115029;C#CC1(C)OCC1C;AFORZNCFFUCIOV-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115030;MM115030;C#CC1(C)OCC1N;VBXLFIYHDDUBHC-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115031;MM115031;C#CC1(C)CCN1C;TVOXZAQMRLCKBP-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115032;MM115032;CC1(CO)CCC1=O;SIAMILUXHSYBMT-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115033;MM115033;CC1(CF)CCC1=O;JINMVEONUJUUBZ-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115034;MM115034;CCC1(O)CCC1=O;NUDSBKBQLBSBNN-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115035;MM115035;O=C1CCC1(O)CO;HIPUBKPFPVTZRO-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115036;MM115036;CCC1(F)CCC1=O;WKFLJQPTEBDZLK-UHFFFAOYSA-N;116.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115037;MM115037;O=C1CCC1(F)CO;MLXOWLISCWCDLK-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115038;MM115038;CNC1(C)CCC1=O;MNMOJBJDZRVSJP-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115039;MM115039;CC1(CN)CNC1=O;RJGUXGAXNCOIBQ-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115040;MM115040;NCC1(O)CNC1=O;IIAOMCWEZXJWOZ-UHFFFAOYSA-N;116.12;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115041;MM115041;NCC1(O)COC1=O;BOHXMQWCMNSZAW-UHFFFAOYSA-N;117.1;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115042;MM115042;O=C1OCC1(O)CO;IAGIJHUSIBOZJH-UHFFFAOYSA-N;118.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115043;MM115043;CNC1(C)COC1=O;ZUAXQRUPOKOYHM-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115044;MM115044;COC1(C)COC1=O;PNWPKDINIHLXLV-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115045;MM115045;C=CC1(C)CCC1=O;AAUQZRKAZPQLCE-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115046;MM115046;CC1(C=O)CCC1=O;JQEXCYDCUBHRMP-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115047;MM115047;CC1(C#N)CCC1=O;URDYAKCLRNWBEP-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115048;MM115048;C=CC1(O)CCC1=O;FCZHDGRNAMYMJU-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115049;MM115049;O=CC1(O)CCC1=O;NHDJMEQZKAZPIE-UHFFFAOYSA-N;114.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115050;MM115050;CC1(C#N)CNC1=O;DSLYBUDVABYQEV-UHFFFAOYSA-N;110.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115051;MM115051;N#CC1(O)CNC1=O;HGUOMPKNAMEAMV-UHFFFAOYSA-N;112.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115052;MM115052;CC1(C#N)COC1=O;XQTZHUZERHBBEB-UHFFFAOYSA-N;111.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115053;MM115053;C#CC1(C)CNC(=NO)N1;BIVUIAMXBCABHX-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115054;MM115054;C#CC1(C)CCC1=O;MMBCOVABRRFDEI-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115055;MM115055;C#CC1(O)CCC1=O;PNZGJIJRVGNSGX-UHFFFAOYSA-N;110.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115056;MM115056;C#CC1(F)CCC1=O;CCMJXPFQYPJIKL-UHFFFAOYSA-N;112.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115057;MM115057;C#CC1(C)CNC1=O;CKURFUIATDQMTQ-UHFFFAOYSA-N;109.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115058;MM115058;C#CC1(C)COC1=O;SRGVVSYZYDUDFM-UHFFFAOYSA-N;110.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115059;MM115059;NC(CC(C=O)CF)=NO;KRBROSBVTGFRFI-UHFFFAOYSA-N;148.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115060;MM115060;CCC1CC1(C)CC;LPAHHILSHMILJD-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115061;MM115061;CCC1(C)CC1CN;BQWRTAROJORLJO-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115062;MM115062;CC(O)COC(=NO)NN;OCDYDMFIZJWKNZ-UHFFFAOYSA-N;149.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115063;MM115063;CCC1(C)CC1CF;GBRAKXWJCFJRPR-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115064;MM115064;CCC1CC1(C)CN;UJSFJILIKAGYDZ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115065;MM115065;CC1(CN)CC1CN;IXNNNEQEIMZDHR-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115066;MM115066;CC1(CN)CC1CO;ZXIZZBXHOZDJAK-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115067;MM115067;CC1(CN)CC1CF;KODFRNLTZCDPIT-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115068;MM115068;NC(CC1(C=O)CN1)=NO;JZGAVDBFICDHJG-UHFFFAOYSA-N;143.15;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115069;MM115069;CC1(CO)CC1CN;ZPAPODUBJNCROZ-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115070;MM115070;CC1(CO)CC1CO;GAXGXBCYGWASGS-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115071;MM115071;CC1(CO)CC1CF;LZGMAMJBBZDCPD-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115072;MM115072;CCC1CC1(C)CF;FZCOIXAXIQTWIH-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115073;MM115073;CC1(CF)CC1CN;FGYQYBNTRJZONL-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115074;MM115074;CC1(CF)CC1CO;LKUNYAZGAMGMAM-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115075;MM115075;CC1(CF)CC1CF;ZBUWGUZXMJGJKP-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115076;MM115076;CCC1CC1(N)CC;MIUNKKVEHGUZBJ-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115077;MM115077;CCC1(N)CC1CN;MBZHZEUKWBCATO-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115078;MM115078;CCC1(N)CC1CO;GXVLJCWNACMKQX-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115079;MM115079;CCC1(N)CC1CF;ZNNKRDHLXZCLFX-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115080;MM115080;CCC1CC1(N)CN;PFDPIDORCBVPIZ-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115081;MM115081;NCC1CC1(N)CN;AAZQUKHABXAULB-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115082;MM115082;NCC1(N)CC1CO;ILBDAIGNCXJGIT-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115083;MM115083;NCC1(N)CC1CF;XSVBZIMCISWWGT-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115084;MM115084;CCC1CC1(N)CO;HFFCEWNEJQBTSS-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115085;MM115085;NCC1CC1(N)CO;KBZZUZMJDZUQCM-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115086;MM115086;NC1(CO)CC1CO;WYSORRQHKCCCQQ-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115087;MM115087;NC1(CO)CC1CF;FSQDCQIGBQMKHQ-UHFFFAOYSA-N;119.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115088;MM115088;CCC1CC1(N)CF;STYZQCMVXRWIJT-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115089;MM115089;NCC1CC1(N)CF;HXNKXKXFGGJYFW-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115090;MM115090;NC1(CF)CC1CO;XRTRMWGDPXYODV-UHFFFAOYSA-N;119.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115091;MM115091;NC1(CF)CC1CF;GYGNJQFIUXJICZ-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115092;MM115092;CN=CNC(=O)C(=N)NN;URPNDLADRQMERK-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115093;MM115093;CCC1(O)CC1CN;JVWZVNIEVRLTQO-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115094;MM115094;CCC1(O)CC1CO;IQNZHIQROMPHCP-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115095;MM115095;CCC1(O)CC1CF;LJBAVYHSUGOACY-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115096;MM115096;CCC1CC1(O)CN;NUSOBSRINHGLSO-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115097;MM115097;NCC1CC1(O)CN;VWZLWVHDBNOFNK-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115098;MM115098;NCC1(O)CC1CO;NPHYXGFEIZDTPH-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115099;MM115099;NCC1(O)CC1CF;DPNMESDKEVCVQV-UHFFFAOYSA-N;119.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115100;MM115100;CCC1CC1(O)CO;NQDWLGMZGPLFSF-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115101;MM115101;NCC1CC1(O)CO;BMEWYUNYKSUURW-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115102;MM115102;OCC1CC1(O)CO;FQMWDPWZYIICSL-UHFFFAOYSA-N;118.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115103;MM115103;OCC1(O)CC1CF;YIYMIYASJYNJJA-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115104;MM115104;CCC1CC1(O)CF;MIFJZZNCQDIMIE-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115105;MM115105;NCC1CC1(O)CF;ZBNJLXCYPQVMJI-UHFFFAOYSA-N;119.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115106;MM115106;OCC1CC1(O)CF;NJZPTJRDFXFDNN-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115107;MM115107;OC1(CF)CC1CF;LFCHJINCRZNXIX-UHFFFAOYSA-N;122.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115108;MM115108;CCC1CC1(F)CC;GPZFWCLROLCBDP-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115109;MM115109;CCC1(F)CC1CN;SMRQSYDRSQLOPX-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115110;MM115110;CCC1(F)CC1CO;KGLFXTLBJNCQPD-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115111;MM115111;CCC1(F)CC1CF;OWFMUPUSTSCAPJ-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115112;MM115112;CCC1CC1(F)CN;MBTXTLAINBHMFT-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115113;MM115113;NCC1CC1(F)CN;HROKEXBAEJKMNR-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115114;MM115114;NCC1(F)CC1CO;YMMOHOBCXUQLOW-UHFFFAOYSA-N;119.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115115;MM115115;NCC1(F)CC1CF;ZFOBKTWZEPSDGK-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115116;MM115116;CCC1CC1(F)CO;SHCVTLFUJDIYDA-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115117;MM115117;NCC1CC1(F)CO;DHGADMWVQCLUJZ-UHFFFAOYSA-N;119.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115118;MM115118;OCC1CC1(F)CO;PWSBMBHXUPLGLX-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115119;MM115119;OCC1(F)CC1CF;CVVBENGVIXQLIC-UHFFFAOYSA-N;122.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115120;MM115120;CCC1CC1(F)CF;VUQFFJBLOBLIIY-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115121;MM115121;OCC1CC1(F)CF;OUWFAMYXBDLJNX-UHFFFAOYSA-N;122.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115122;MM115122;FCC1CC1(F)CF;GEEHPWZQCIMCFE-UHFFFAOYSA-N;124.11;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115123;MM115123;CCC1(C)CC1NC;YSTVWAIPWIFSTI-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115124;MM115124;CNC1CC1(C)CN;BAGCKTMBFUWXJM-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115125;MM115125;CNC1CC1(C)CO;DFGIPBPVPDDBNX-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115126;MM115126;CNC1CC1(C)CF;LHYHFCBLEPAIJM-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115127;MM115127;CCC1(N)CC1NC;BXKFTOJRRGWXSS-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115128;MM115128;CNC1CC1(N)CN;GAOSGZUBRCYJBI-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115129;MM115129;CNC1CC1(N)CO;GQHUKZXNFCVCJQ-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115130;MM115130;CNC1CC1(N)CF;VUTBGCSHKCOSAS-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115131;MM115131;CCC1(O)CC1NC;YLLFFUISIPQWEA-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115132;MM115132;CNC1CC1(O)CN;VZKSXLHUSLGVBU-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115133;MM115133;CNC1CC1(O)CO;LFMQDPOTABUAGW-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115134;MM115134;CNC1CC1(O)CF;TWXLNBWYSFAECZ-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115135;MM115135;CCC1(F)CC1NC;KLOPTKKFVUYUHR-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115136;MM115136;CNC1CC1(F)CN;VKXBFSHXTDBWNG-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115137;MM115137;CCC1(C)CC1OC;MSDGFQHQSMNFKS-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115138;MM115138;COC1CC1(C)CN;NCUHXCNQXPUBLX-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115139;MM115139;COC1CC1(C)CF;OLOPHIBKZILFCU-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115140;MM115140;CCC1(N)CC1OC;QTZBARVPNAHBML-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115141;MM115141;COC1CC1(N)CN;HEFIXXCTVISWFM-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115142;MM115142;COC1CC1(N)CO;PGLVCLAUVBTNKG-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115143;MM115143;CCC1(O)CC1OC;ANTQSICMYXRQNY-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115144;MM115144;COC1CC1(O)CN;VALCIESZIHOHIG-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115145;MM115145;COC1CC1(O)CO;MAPUAPWJTZJTDG-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115146;MM115146;COC1CC1(O)CF;UCLSZZKWFYNSFS-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115147;MM115147;CCC1(F)CC1OC;FVRGDATTXRUZQP-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115148;MM115148;COC1CC1(F)CN;CRNQAUGFBLGREA-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115149;MM115149;COC1CC1(F)CO;SGSGEQGQVVKVLT-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115150;MM115150;CCC1CC1(C)NC;SAGSTDIOSFIBIT-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115151;MM115151;CNC1(C)CC1CN;GZAKJYJZFHUGQS-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115152;MM115152;CNC1(C)CC1CO;JFJQRNFEOZFICY-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115153;MM115153;CNC1(C)CC1CF;UMSWSLRUGAMEDE-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115154;MM115154;CNC1CC1(C)NC;CHGOHVBUSXYCKW-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115155;MM115155;CNC1(C)CC1OC;UNACTYJMYBRNHP-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115156;MM115156;CCC1CC1(C)OC;KRPDBXBAGCDUEQ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115157;MM115157;COC1(C)CC1CN;NVAQGTJRDUZYDA-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115158;MM115158;COC1(C)CC1CO;LECAYAMZWIGZFQ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115159;MM115159;COC1(C)CC1CF;DAHPHSWWFFYHAU-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115160;MM115160;CNC1CC1(C)OC;DNUQBVGBKZPFDG-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115161;MM115161;COC1CC1(C)OC;KRPRQAFUUQSSQK-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115162;MM115162;CCC1(C)NC1CN;OODDTIFHLYRBOD-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115163;MM115163;CCC1(C)NC1CF;XJVOCGYNDJNUGT-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115164;MM115164;CCC1NC1(C)CN;YCKYAHPNMSCWDQ-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115165;MM115165;CC1(CN)NC1CN;NPJVDCDIWDKKQQ-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115166;MM115166;CC1(CN)NC1CO;HYNGMOUPVXLYPZ-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115167;MM115167;CC1(CN)NC1CF;VZKKMOACJGKUBC-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115168;MM115168;CC1(CO)NC1CN;QMGHFJDAWIBULB-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115169;MM115169;CC(=NO)N(C)NCC#N;NGBGMZNPLICYMY-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115170;MM115170;C=CC=NN(C)C(C)=NO;LXGDRCGEFNFENO-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115171;MM115171;CCC1NC1(C)CF;SXYDEBQXOLUIFG-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115172;MM115172;CC1(CF)NC1CN;IIZDBBLCKRVCIT-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115173;MM115173;CCC(=O)NC=NN=CN;ZWEGPFYCOPBTRZ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115174;MM115174;CC1(CF)NC1CF;RAWYEVFQBKZLOV-UHFFFAOYSA-N;121.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115175;MM115175;CCC1OC1(C)CC;YKFDDISACQSCBD-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115176;MM115176;CCC1(C)OC1CN;XKBHUEOYULVVSU-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115177;MM115177;CCC1(C)OC1CO;ZLCWRHRCKXYPGS-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115178;MM115178;CCC1(C)OC1CF;BQSSOUPYKPXSJQ-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115179;MM115179;CCC1OC1(C)CN;JIEKFKNNDLXJQD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115180;MM115180;CC1(CN)OC1CN;VBXDOYZPAANDDA-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115181;MM115181;CC1(CN)OC1CO;KLBGBSLZXURZJN-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115182;MM115182;CC1(CN)OC1CF;NDOFYDQJTUQWTA-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115183;MM115183;CCC1OC1(C)CO;OCGUAQREEINKDX-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115184;MM115184;CC1(CO)OC1CN;QAUJOXNWYMRVBL-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115185;MM115185;CC1(CO)OC1CO;FLVAIUDBQNOKHB-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115186;MM115186;CC1(CO)OC1CF;JFOLWOQJZCHHEW-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115187;MM115187;CCC1OC1(C)CF;OAEFXWWQQOYHKJ-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115188;MM115188;CC1(CF)OC1CN;LSCAIZDYOCFGLI-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115189;MM115189;CC1(CF)OC1CO;FIMYDGYCHLSDNK-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115190;MM115190;CC1(CF)OC1CF;CEHBXGGQSKICTI-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115191;MM115191;CCN1CC1(C)CN;ZGPBEWJNYADAPT-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115192;MM115192;CCN1CC1(C)CF;SKVUFIZEGXDHKQ-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115193;MM115193;C=CC1CC1(C)CC;NBLQSNMEAZZMJM-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115194;MM115194;CCC1(C)CC1C=O;ICMZHRBYUIEXAH-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115195;MM115195;CCC1(C)CC1C#N;CTJYTTZBZSKBTE-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115196;MM115196;C=CC1CC1(C)CN;WARKMDRZPAYGLW-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115197;MM115197;CN(C)C(CC=NN)=NO;FFZXTNVUNXIFLQ-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115198;MM115198;CC1(CO)CC1C=O;DJLZZVYBMHXIPD-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115199;MM115199;CC1(CO)CC1C#N;YHIDXRLZPAYZQX-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115200;MM115200;C=CC1CC1(C)CF;OHLXOSLONXHHGF-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115201;MM115201;CC1(CF)CC1C=O;SEVRLHDHWWFCIS-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115202;MM115202;CC1(CF)CC1C#N;VZUKUEBRFLYTPD-UHFFFAOYSA-N;113.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115203;MM115203;C=CC1CC1(N)CC;BYZOICXSRORPHK-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115204;MM115204;C=CC1CC1(N)CN;LPXILJSYJKAXCS-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115205;MM115205;C=CC1CC1(N)CO;WKELVJBOOBHRHK-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115206;MM115206;C=CC1CC1(N)CF;QIFUWHILOYUYQL-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115207;MM115207;COC(=NO)NNCCO;VZPSNFSBJRDXBV-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115208;MM115208;CCC1(O)CC1C=O;POFMSMMDMBWULD-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115209;MM115209;CCC1(O)CC1C#N;NGUPSYRLIYYFAM-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115210;MM115210;C=CC1CC1(O)CN;NMQMCPYKPIICBM-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115211;MM115211;C=CC1CC1(O)CO;YHSVEICKKUFKNW-UHFFFAOYSA-N;114.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115212;MM115212;O=CC1CC1(O)CO;FZZGGXPLVRUBPR-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115213;MM115213;N#CC1CC1(O)CO;STCUSWJEBAAALS-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115214;MM115214;C=CC1CC1(O)CF;HPQFYQDEHRFDBT-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115215;MM115215;C=CC1CC1(F)CC;WGBLQYRZZICCKM-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115216;MM115216;CCC1(F)CC1C=O;JKGJLGYQFRZBMV-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115217;MM115217;CCC1(F)CC1C#N;ARNMTLQSNIUOBG-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115218;MM115218;C=CC1CC1(F)CN;JUGREDSVRTVFJB-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115219;MM115219;C=CC1CC1(F)CO;PUNUQGWAGTUUPZ-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115220;MM115220;O=CC1CC1(F)CO;VAYYFZPVZJTOOS-UHFFFAOYSA-N;118.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115221;MM115221;N#CC1CC1(F)CO;UEAUGOSNENWHLJ-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115222;MM115222;N#CC1CC1(F)CF;NEWANQQPHHUBQR-UHFFFAOYSA-N;117.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115223;MM115223;C=CC1CC1(C)NC;KXIPENDUONXBTC-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115224;MM115224;CNC1(C)CC1C=O;YSQAYPSTLPIQQH-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115225;MM115225;C=CC1CC1(C)OC;INIQDHLTXWKBLY-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115226;MM115226;COC1(C)CC1C=O;SLRQZEHFJGIEGB-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115227;MM115227;COC1(C)CC1C#N;PMZPXGNQSAQWSK-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115228;MM115228;COCCOC(=NO)NN;NIPDWTQDIFKEBX-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115229;MM115229;CCC1(C)NC1C#N;UMARENRPEMWZFF-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115230;MM115230;C=CC1NC1(C)CN;IIVPKCNUQOJOPX-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115231;MM115231;OCC12CC1NC(=NO)N2;MQYABPRANAVJDK-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115232;MM115232;Cc1nccn1O;JINPHWNDUMOALG-UHFFFAOYSA-N;98.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115233;MM115233;C=CC(=N)NC(=O)CO;YLHYOEXMIBZZDI-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115234;MM115234;C=CC1NC1(C)CF;JBDJVMQMQLTRNT-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115235;MM115235;C=C(CO)N(N)C=NO;LZVOKELKOJVVQZ-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115236;MM115236;C=CC1OC1(C)CC;UKMWZCUORTUCQP-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115237;MM115237;CCC1(C)OC1C=O;NUPUMUPLSAQVNT-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115238;MM115238;CCC1(C)OC1C#N;IMQWVSGGXYHAOF-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115239;MM115239;C=CC1OC1(C)CN;WJBIEZQSTHDOCU-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115240;MM115240;C=CC1OC1(C)CO;LJSFJGBTVCVOLY-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115241;MM115241;CC1(CO)OC1C=O;DNQIATHBSKHPLN-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115242;MM115242;CC1(CO)OC1C#N;LDVCJNCMRUINON-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115243;MM115243;C=CC1OC1(C)CF;UGAVTPLPRIQQBE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115244;MM115244;CC1(CF)OC1C#N;YHOWYJGKPZAYNU-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115245;MM115245;CCC1(C)CN1C=N;JUUNEGVQNJMROZ-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115246;MM115246;CCC1(C)CN1C=O;RQKRBWRPQHMSLY-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115247;MM115247;CC1(CN)CN1C=N;ZMAXKIANQFCEDK-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115248;MM115248;CC1(CN)CN1C=O;IKJCLCZWPTZWDX-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115249;MM115249;CC1(CO)CN1C=N;BGEYEMXKAHREAA-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115250;MM115250;CC1(CO)CN1C=O;XXHLCYFRJRCCCI-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115251;MM115251;CC1(CF)CN1C=N;CHGXHMPOEZKQCQ-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115252;MM115252;CC1(CF)CN1C=O;GREQLMZJZXMXKT-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115253;MM115253;C=NN1CC1(C)CC;NVHXMDRFPPUGNZ-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115254;MM115254;C=NN1CC1(C)CN;DAWIVZQZUHMKPQ-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115255;MM115255;CCC(C=NO)=C(C)N;CAQHAWRSZNQHAV-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115256;MM115256;C=NN1CC1(C)CF;UNUDKCREAJKGAC-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115257;MM115257;C#CC1CC1(C)CC;UWWBODJVLZUXQA-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115258;MM115258;C#CC1CC1(C)CN;ZYIONXWOXBRIDO-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115259;MM115259;ON=CNC=CC=CF;OIIKXTOWYCQIGB-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115260;MM115260;C#CC1CC1(C)CF;LTRISVHGZYEUKD-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115261;MM115261;C#CC1CC1(N)CC;CCWLCORPZOATMD-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115262;MM115262;C#CC1CC1(N)CN;OURSJJSMKWNKNL-UHFFFAOYSA-N;110.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115263;MM115263;C#CC1CC1(N)CO;LNWOGJVHAVIGEV-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115264;MM115264;C#CC1CC1(N)CF;YZLPVZRTIIXGGJ-UHFFFAOYSA-N;113.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115265;MM115265;CN=CNC(=O)NC(C)=O;VYRHOZIKDAAKNO-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115266;MM115266;C#CC1CC1(O)CN;ILPVLIVGJNVUSK-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115267;MM115267;C#CC1CC1(O)CO;GXSOQNNBSSJMRO-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115268;MM115268;C#CC1CC1(O)CF;YVSKOTVTQVWBRM-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115269;MM115269;C#CC1CC1(F)CC;IHWXVKOCFUIABQ-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115270;MM115270;C#CC1CC1(F)CN;RQUUODDFBGODRW-UHFFFAOYSA-N;113.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115271;MM115271;C#CC1CC1(F)CO;HOSNDSGLQFCANM-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115272;MM115272;C#CC1CC1(F)CF;ACCIOBZSBWJZGR-UHFFFAOYSA-N;116.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115273;MM115273;C#CC1CC1(C)NC;MCKNXJQALRYMQP-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115274;MM115274;C#CC1CC1(C)OC;FWNUCHNKPJWDKD-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115275;MM115275;C#CC1NC1(C)CC;HARMCFCPXVYJDX-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115276;MM115276;C#CC1NC1(C)CN;MGJJYHVJZARUJT-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115277;MM115277;C=CC(=N)NC(=O)COC;FQFFYJZJUHDCPJ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115278;MM115278;C#CC1NC1(C)CF;ODLKFYQHQAWWMJ-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115279;MM115279;C#CC1OC1(C)CC;UODMCIIIJLVZRO-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115280;MM115280;C#CC1OC1(C)CN;KGRVRCIJUQWISH-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115281;MM115281;C#CC1OC1(C)CO;FYBNXCNSSARMPP-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115282;MM115282;C#CC1OC1(C)CF;BPGBKZQYKXQANE-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115283;MM115283;CCC1(C)CCCC1;LETYIFNDQBJGPJ-UHFFFAOYSA-N;112.22;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115284;MM115284;CC1(CN)CCCC1;GCMLGSALHMDQFS-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115285;MM115285;C=CC(=N)NC(=O)C=NN;VGVREGWZHXGOKV-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115286;MM115286;CC1(CF)CCCC1;UAIMBPKBVXTYIQ-UHFFFAOYSA-N;116.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115287;MM115287;CCC1(N)CCCC1;MBBRMLWCPAHDOI-UHFFFAOYSA-N;113.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115288;MM115288;NCC1(N)CCCC1;YKGDAMWMFVRGDH-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115289;MM115289;NC1(CO)CCCC1;PDNZJLMPXLQDPL-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115290;MM115290;NC1(CF)CCCC1;KXJPEFIZAJQDLD-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115291;MM115291;C#CC(=C)C(=N)NC(N)=O;UCEVAJCTSUMAKF-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115292;MM115292;NCC1(O)CCCC1;FEALJKFIUQDJAV-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115293;MM115293;OCC1(O)CCCC1;HBIQSLRAIUMVEV-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115294;MM115294;OC1(CF)CCCC1;DEQJVKISTCKTFU-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115295;MM115295;CCC1(F)CCCC1;RVRAPFBQBVEVKE-UHFFFAOYSA-N;116.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115296;MM115296;OCC1(F)CCCC1;UIBMLCYWHRQXIQ-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115297;MM115297;CNC1(C)CCCC1;XNSBZWPLJHUBPA-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115298;MM115298;CCC1(C)CCNC1;DWEXCXIEVRCDTE-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115299;MM115299;CC1(CN)CCNC1;APRDXQSALZYCME-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115300;MM115300;CC1(CO)CCNC1;ZBNGYAJEJQZYNL-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115301;MM115301;CCC1(N)CCNC1;XVRFMNSIYJMQMN-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115302;MM115302;NCC1(N)CCNC1;RVKXQPARVJQXHN-UHFFFAOYSA-N;115.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115303;MM115303;NC1(CO)CCNC1;WNVSUDIUJLTYEO-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115304;MM115304;NC1(CF)CCNC1;NUVZFMCZBRTWDU-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115305;MM115305;CCC1(O)CCNC1;RDCBTTNCVVAZEK-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115306;MM115306;OCC1(O)CCNC1;IEVFAEYHOYSFTH-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115307;MM115307;CCC1(F)CCNC1;ZGRJHMKJQXTZME-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115308;MM115308;CNC1(C)CCNC1;ZEEPJWKRADHJSA-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115309;MM115309;CCC1(C)CCOC1;NIEVAEFCBYWDBY-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115310;MM115310;CC1(CN)CCOC1;BIHDPCZORCLZAJ-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115311;MM115311;CC1(CO)CCOC1;PEUKZUNHDBBJQH-UHFFFAOYSA-N;116.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115312;MM115312;CCC1(N)CCOC1;XPTBSIRVRXHOLG-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115313;MM115313;NCC1(N)CCOC1;IWFWHBCOXOCTNB-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115314;MM115314;NC1(CO)CCOC1;OJPSWNKHXFWIQJ-UHFFFAOYSA-N;117.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115315;MM115315;NC1(CF)CCOC1;OZBYYRVQXNWONM-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115316;MM115316;NCC1(O)CCOC1;JYTKAOGAECWBMI-UHFFFAOYSA-N;117.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115317;MM115317;OCC1(O)CCOC1;RQOZSVBKJFQPKJ-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115318;MM115318;CCC1(F)CCOC1;UZRLYCRSXZZJDN-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115319;MM115319;CCC1(C)CCCN1;LWXLWIFIZNWSAG-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115320;MM115320;CC1(CN)CCCN1;TZGIINISNYXPCF-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115321;MM115321;CC1(CO)CCCN1;BJOWRJDUPYOCEU-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115322;MM115322;CCC1(C)CCCO1;IEOGTPYUCCUGAQ-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115323;MM115323;CCC1(C)COCO1;ZCDQYCMDKKWLBH-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115324;MM115324;C=CC1(C)CCCC1;OAGQXPJIMPRWQA-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115325;MM115325;CC1(C=O)CCCC1;ZUGYJALETFVYJV-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115326;MM115326;CC1(C#N)CCCC1;OZYDARRKCCHJOL-UHFFFAOYSA-N;109.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115327;MM115327;C=CC1(N)CCCC1;VDFOZBKJGIZQHR-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115328;MM115328;CNNC(=O)NC=NC=N;XPHIXRHNJPFEGC-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115329;MM115329;O=CC1(O)CCCC1;AAHFAABFNIYXPY-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115330;MM115330;C=CC1(F)CCCC1;XPESJWUPBPOTLM-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115331;MM115331;C=CC1(C)CCNC1;AMJIQUBMMXGGFN-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115332;MM115332;CC1(C=O)CCNC1;WYHFNCMWEOXDFO-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115333;MM115333;CC1(C#N)CCNC1;FVPYQTSLDMVWBM-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115334;MM115334;C=CC1(N)CCNC1;HEWQCENAKNHYLS-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115335;MM115335;C=CC1(O)CCNC1;UNHSJMFKUVVKAW-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115336;MM115336;O=CC1(O)CCNC1;JUUCAKPRHACRED-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115337;MM115337;C=CC1(F)CCNC1;AUNJELUMPHIHCH-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115338;MM115338;C=CC1(C)CCOC1;ITKGPISPWIILFN-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115339;MM115339;CC1(C=O)CCOC1;REHQHIJFXMXDEO-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115340;MM115340;CC1(C#N)CCOC1;KPBGRFCRMZARSP-UHFFFAOYSA-N;111.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115341;MM115341;C=CC1(N)CCOC1;HVGMSNBOUBHOTI-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115342;MM115342;C=CC1(O)CCOC1;GBVNQFXVSWUSFV-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115343;MM115343;O=CC1(O)CCOC1;UXFJVBCXMUPPMW-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115344;MM115344;C=CC1(F)CCOC1;KWFQTFGBZJRSBE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115345;MM115345;O=CC1(F)CCOC1;FODVNOLDHBVXCH-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115346;MM115346;C=CC1(C)CCCN1;SJTVKFUKMOYCQZ-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115347;MM115347;CC1(C=O)CCCN1;LFGIIQBRZLTBJP-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115348;MM115348;C=CC1(C)CCCO1;CDJYNXISDGRFRM-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115349;MM115349;CC1(C=O)CCCO1;IFMQZSUJRUBHBK-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115350;MM115350;CC1(C#N)CCCO1;ANKPAVMLGPOZOZ-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115351;MM115351;C=CC1(C)COCO1;ZMDIUIDCERHLOD-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115352;MM115352;CC1(C=O)OCCO1;FNWDXNIGYWJYHW-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115353;MM115353;CC1(C#N)OCCO1;ANAMGTPXCUREET-UHFFFAOYSA-N;113.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115354;MM115354;C#CC1(C)CCCC1;NNGMTMULEKGSTL-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115355;MM115355;C#CC1(N)CCCC1;KCTXFYBEKPTOEW-UHFFFAOYSA-N;109.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115356;MM115356;C#CC1(C)CCNC1;JMXNNLMNFJISIN-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115357;MM115357;C#CC1(N)CCNC1;ZVJAQEYAMMZNAQ-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115358;MM115358;C#CC1(C)CCOC1;HRKFINIUELMBSJ-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115359;MM115359;C#CC1(N)CCOC1;NNMYXEYERWZUPC-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115360;MM115360;C#CC1(O)CCOC1;MDKYDLOXSGSJCT-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115361;MM115361;C#CC1(C)CCCN1;ZQZMGGHFOQLPDL-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115362;MM115362;C#CC1(C)CCCO1;KYPCFKQEHDJZKY-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115363;MM115363;C#CC1(C)COCO1;MAGRPFMSRIGBDU-UHFFFAOYSA-N;112.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115364;MM115364;C#CC1(C)OCCO1;PXVIYUYNYOCTPA-UHFFFAOYSA-N;112.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115365;MM115365;CCC1(C)CC=CC1;MOGZKENFBLMUTO-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115366;MM115366;CC1(CN)CC=CC1;DCVJXXDEKIVNKU-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115367;MM115367;CCN=CNC(=O)NC=N;SLVNEBJZNUIABL-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115368;MM115368;CC1(CF)CC=CC1;QFSYXPQEHYZTME-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115369;MM115369;CCC1(N)CC=CC1;CZFUWZNPWVVBRK-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115370;MM115370;NCC1(N)CC=CC1;MCYJAJCGBLMEGS-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115371;MM115371;NC1(CO)CC=CC1;NWIIFKYGKOLKML-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115372;MM115372;NC1(CF)CC=CC1;MALOMWBCRYNAAN-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115373;MM115373;NN=CN(C=NO)CCO;DIPHVMNZFMGVIK-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115374;MM115374;NCC1(O)CC=CC1;UNBKMVINJUNEPS-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115375;MM115375;OCC1(O)CC=CC1;VGVYMKYJPLYRJL-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115376;MM115376;CCC1(F)CC=CC1;CWRMIUPDGVRMKH-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115377;MM115377;NCC1(F)CC=CC1;KFRSXNYOCVESHV-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115378;MM115378;OCC1(F)CC=CC1;CWGOGISVLFLBJF-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115379;MM115379;CNC1(C)CC=CC1;KQFBMJAZXLWQPM-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115380;MM115380;COC1(C)CC=CC1;HTZGBGRLUUJZJK-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115381;MM115381;CCC1(C)CC=NN1;PYMHAFLRPRPQQA-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115382;MM115382;CC1(CN)CC=NN1;YVISBIIRLLAPFN-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115383;MM115383;CCC1(C)CN=CN1;GJCSLMRWRRQREH-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115384;MM115384;CC1(CN)CN=CN1;JNNYEQIXXIZXDT-UHFFFAOYSA-N;113.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115385;MM115385;CCC1(C)CC=CO1;SVNAZZYKMREOAV-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115386;MM115386;CC1(CN)CC=CO1;RDXHTFORTQZSTB-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115387;MM115387;CCC1(C)CC=NO1;UGPXKQBCUIVAFL-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115388;MM115388;CC1(CN)CC=NO1;COBCFNDLGQXGBM-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115389;MM115389;CC1(CO)OC=CO1;NBFCOIWFFIBRMV-UHFFFAOYSA-N;116.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115390;MM115390;C=CC1(C)CC=CC1;YQBMQIZNICQCNE-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115391;MM115391;CC1(C=O)CC=CC1;SOPPFQAFDHEIMO-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115392;MM115392;CC1(C#N)CC=CC1;IZOCMNRZLUBRCB-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115393;MM115393;C=CC1(N)CC=CC1;GOFGKSSSWNUFKC-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115394;MM115394;CC(=NOC(=O)NN)NN;JSWJOSUYZKOXJJ-UHFFFAOYSA-N;147.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115395;MM115395;O=CC1(O)CC=CC1;QVLMOBPGZWALGN-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115396;MM115396;N#CC1(O)CC=CC1;IUVYYDLHZNKSGO-UHFFFAOYSA-N;109.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115397;MM115397;C=CC1(F)CC=CC1;CHAHJNUDYQOFNV-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115398;MM115398;C=CC1(C)CC=NN1;KRARHJBFQGUEKM-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115399;MM115399;C=NOCC=CC(C)=NO;VOOLCMHWGWRXHW-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115400;MM115400;C=CC1(C)CN=CN1;JQFBLVMWADMFRY-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115401;MM115401;C=CC1(C)CC=CO1;BACHYZGPNOMZNM-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115402;MM115402;CC1(C=O)CC=CO1;WVHJBVPYIIBODU-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115403;MM115403;CC1(C#N)CC=CO1;PVYRSUHCPMWXBG-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115404;MM115404;C=CC1(C)CC=NO1;WUSPLPNCZYUCQX-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115405;MM115405;CC1(C#N)CC=NO1;XOYVDLPMWPRISC-UHFFFAOYSA-N;110.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115406;MM115406;C=CC1(C)OC=CO1;DWAICKFELHAJEA-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115407;MM115407;CC1(C=O)OC=NO1;GBMHNRQMZSBZAR-UHFFFAOYSA-N;115.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115408;MM115408;C#CC1(C)CC=CC1;VZMYSLSQQORICQ-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115409;MM115409;C#CC1(N)CC=CC1;HJJGXTZQRSEENJ-UHFFFAOYSA-N;107.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115410;MM115410;C#CC1(O)CC=CC1;QZRMMHHUWGKUQD-UHFFFAOYSA-N;108.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115411;MM115411;C#CC1(F)CC=CC1;FWBYXSOCNXUOJD-UHFFFAOYSA-N;110.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115412;MM115412;C=NN(C=NO)C(C)CC;DIGFRXSIJHGAAS-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115413;MM115413;C#CC1(C)CC=CO1;WMNQVZVUZJSUON-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115414;MM115414;C#CC1(C)CC=NO1;PFCWGHBOSJZRGU-UHFFFAOYSA-N;109.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115415;MM115415;C#CC1(C)OC=CO1;GCXWJXOXTGLWCU-UHFFFAOYSA-N;110.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115416;MM115416;C#CC1(C)OC=NO1;JFNUCCSWHXWGSM-UHFFFAOYSA-N;111.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115417;MM115417;CCC1(C)C=CCC1;AWTXXXWIJSGLAD-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115418;MM115418;CC1(CN)C=CCC1;GOZBXNXJCKUHAR-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115419;MM115419;CN=C(NO)C(=O)NC=N;RNMMDTDTIIEDOX-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115420;MM115420;CCC1(N)C=CCC1;XQIVDORAFVIPKX-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115421;MM115421;NCC1(N)C=CCC1;OLCPADSYFUDWIX-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115422;MM115422;NC1(CO)C=CCC1;IBUHQQMUNGXJMO-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115423;MM115423;C#CC=C1CNC(=NO)C1;HBVTZMMYFJMHMQ-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115424;MM115424;NCC1(O)C=CCC1;ZXLYJGXXVWWMEO-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115425;MM115425;OCC1(O)C=CCC1;SYWUYKQBASJJBO-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115426;MM115426;CCC1(F)C=CCC1;KVYJPLMOUHCVRW-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115427;MM115427;NCC1(F)C=CCC1;GGUZZMBXTZQFPG-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115428;MM115428;CNC1(C)C=CCC1;BZAHWWUKADUJHK-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115429;MM115429;COC1(C)C=CCC1;PNRZULRZYIAKEF-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115430;MM115430;CCC1(C)C=NNC1;XXAFCWALVRJKTR-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115431;MM115431;CC1(CN)C=NNC1;OJODFWRSTVLZQA-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115432;MM115432;CN=CNC(=O)NC=N;UHXGVEDUFSYFCV-UHFFFAOYSA-N;128.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115433;MM115433;NCC1(N)C=NNC1;MWVOHTORHAQJKH-UHFFFAOYSA-N;114.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115434;MM115434;N=CN=CNC(=O)NN;LMEXOYPVYCMVTK-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115435;MM115435;NCC1(O)C=NNC1;DDGJLIOEOHZVFY-UHFFFAOYSA-N;115.14;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115436;MM115436;OCC1CC(=NO)NN1;NNMRFVOMTANMBU-UHFFFAOYSA-N;131.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115437;MM115437;CN(C=NN)NC(=O)CF;DQMLRCZBDSBPJQ-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115438;MM115438;CCC1(C)C=COC1;GOASKZLYLNSLDF-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115439;MM115439;CC1(CN)C=COC1;KXVHCPSSUUSVCS-UHFFFAOYSA-N;113.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115440;MM115440;CC1(CO)C=COC1;UALGXNFJOPFBCX-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115441;MM115441;CCC1(N)C=COC1;WEWQYCLQDZCECK-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115442;MM115442;NCC1(N)C=COC1;OPPYGAFTQBRXBY-UHFFFAOYSA-N;114.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115443;MM115443;NC1(CO)C=COC1;KEXADEUUOPYVPJ-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115444;MM115444;CCC1(O)C=COC1;MYHKBNFCSBHVRA-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115445;MM115445;NCC1(O)C=COC1;FTIDSXGNLFWXMX-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115446;MM115446;OCC1(O)C=COC1;CWWLDUOXAYYKKP-UHFFFAOYSA-N;116.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115447;MM115447;CCC1(F)C=COC1;OQZCBAJHUGYPPL-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115448;MM115448;CNC1(C)C=COC1;JFMVZTXPKRVTJF-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115449;MM115449;CCC1(C)C=NOC1;VIMQEUPZIQYAGR-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115450;MM115450;CC1(CN)C=NOC1;DVCXBGHCQZZIMM-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115451;MM115451;NN(C=NO)CC#CCO;OPHVMTVZVQGHJR-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115452;MM115452;NCC1(N)C=NOC1;BXXLAOKMDFGHIO-UHFFFAOYSA-N;115.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115453;MM115453;C=CNC(=NC=O)NC=O;VZBUWFJPOSXMOJ-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115454;MM115454;NCC1(O)C=NOC1;QNKZVUHBJPSSRN-UHFFFAOYSA-N;116.12;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115455;MM115455;CCC1(F)C=NOC1;FDLPOJWQQZUSCM-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115456;MM115456;CCC1(C)C=CCN1;VGPWKJAKQJULTA-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115457;MM115457;CC1(CN)C=CCN1;YNTXVUJYTYOPAS-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115458;MM115458;CC1(CO)C=CCN1;MGUUUFPTXOMFOF-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115459;MM115459;CCC1(C)C=CCO1;DMDDBZDLBUBBDF-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115460;MM115460;C=CC1(C)C=CCC1;BKBVYIKHVKPCAY-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115461;MM115461;CC1(C=O)C=CCC1;XQCYPIPRAMXDII-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115462;MM115462;CC1(C#N)C=CCC1;XJGQPDJKAORGFK-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115463;MM115463;C=CC1(N)C=CCC1;WOYSAXDJKKSBKM-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115464;MM115464;COC(=O)NC(=NO)NN;ORIRQGCIAGMMQZ-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115465;MM115465;O=CC1(O)C=CCC1;REEZEKKYXHZOKO-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115466;MM115466;N#CC1(O)C=CCC1;LQESALPKRYSXSD-UHFFFAOYSA-N;109.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115467;MM115467;C=CC1(F)C=CCC1;IPBLMHGNYKWKLO-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115468;MM115468;C=CC1(C)C=NNC1;UTNJFQGSFUTKTA-UHFFFAOYSA-N;110.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115469;MM115469;C=CC(N)=CC(CC)=NO;KJQZBPCOAIFUNG-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115470;MM115470;NC(C=C(C=O)CO)=NO;DTBFTYLSTRKCCT-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115471;MM115471;NN=CN=CNC(=O)NN;ORVCPTNEYZPCAT-UHFFFAOYSA-N;144.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115472;MM115472;O=CC1(O)C=NNC1;RJRSMQWQCAYVOL-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115473;MM115473;CC=CN=C(C=NO)NN;BZMVYGTZKZWHDZ-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115474;MM115474;C=CC1(C)C=COC1;WNFLQDPKEFIEDN-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115475;MM115475;CC1(C=O)C=COC1;QOPGBPAAYIFEQY-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115476;MM115476;CC1(C#N)C=COC1;ZUOYFYGWNDOWGC-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115477;MM115477;C=CC1(N)C=COC1;BKIXGYMLQOIALF-UHFFFAOYSA-N;111.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115478;MM115478;C=CC1(O)C=COC1;NGVVHMPUTNGUAA-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115479;MM115479;O=CC1(O)C=COC1;BAKOPSFNVKLYAT-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115480;MM115480;C=CC1(F)C=COC1;MLKLZCRBKBIBED-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115481;MM115481;C=CC1(C)C=NOC1;ACVSESWKJZSULV-UHFFFAOYSA-N;111.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115482;MM115482;CC1(C=O)C=NOC1;IGPMZUBXYPIWMO-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115483;MM115483;C=C1NC(=NO)C=CC1O;AWEDFJSUHZFIFG-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115484;MM115484;C=CC1(F)C=NOC1;GLTNJDOBRLMQMT-UHFFFAOYSA-N;115.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115485;MM115485;C=CC1(C)C=CCN1;WBXHNLBIXVMXHU-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115486;MM115486;CC1(C=O)C=CCN1;TYUBKDCDYORYAY-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115487;MM115487;CC1(C#N)C=CCN1;USJVEQLOKHISOU-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115488;MM115488;C=CC1(C)C=CCO1;LHDOQWVXKHRFAI-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115489;MM115489;CC1(C#N)C=CCO1;FBZRGDBAWDMFNL-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115490;MM115490;C#CC1(C)C=CCC1;UCPOLDWICZOPQX-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115491;MM115491;C#CC1(N)C=CCC1;DFTHZRQYCVDUCZ-UHFFFAOYSA-N;107.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115492;MM115492;C#CC1(O)C=CCC1;NABYGRUINSKQSX-UHFFFAOYSA-N;108.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115493;MM115493;C#CC1(F)C=CCC1;YGSNPPGNYSTUBO-UHFFFAOYSA-N;110.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115494;MM115494;C#CC1(C)C=NNC1;RBWVVRWEAPEECP-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115495;MM115495;C#CC1(O)C=NNC1;TWBQIOUJZCGFFM-UHFFFAOYSA-N;110.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115496;MM115496;C#CC1(C)C=COC1;AXJVLBPRIWUZAX-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115497;MM115497;C#CC1(O)C=COC1;NKFLUQZFUUPOCE-UHFFFAOYSA-N;110.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115498;MM115498;C#CC1(C)C=NOC1;DQAKIPKFONKRIH-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115499;MM115499;C#CC1(O)C=NOC1;QTDNLNMYKJHAIQ-UHFFFAOYSA-N;111.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115500;MM115500;C#CC1(C)C=CCN1;IWKQBFRWYAOGQP-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115501;MM115501;C#CC1(C)C=CCO1;FDWIYAAYSSVFJJ-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115502;MM115502;CCC1(C)C=CC=C1;ISYARGPZBWMIBN-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115503;MM115503;CC1(CN)C=CC=C1;JYFYNTOOCYWQAE-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115504;MM115504;CC#CC1CNC(=NO)N1;VIDZLWIRXHJOAA-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115505;MM115505;CCC1(N)C=CC=C1;OHIUFDVMIXCPMY-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115506;MM115506;NCC1(N)C=CC=C1;MHDJAWMQMRZBBW-UHFFFAOYSA-N;110.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115507;MM115507;NC1(CO)C=CC=C1;CNULYWQSOGDRPP-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115508;MM115508;O=CC1=CNC(=NO)CC1;JIQLSTCMVFSVBI-UHFFFAOYSA-N;140.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115509;MM115509;NCC1(O)C=CC=C1;VMDDBAPXDMOIBJ-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115510;MM115510;CCC1(F)C=CC=C1;KCMOCYKXLACUNY-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115511;MM115511;NCC1(F)C=CC=C1;IHWLWBDPOJRRJL-UHFFFAOYSA-N;113.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115512;MM115512;CNC1(C)C=CC=C1;VOVDGTIACMYWEJ-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115513;MM115513;CCC1(C)C=NN=C1;RCDOUVFGGDFISL-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115514;MM115514;CC1(CN)C=NN=C1;NCSKVXRBMBRCOV-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115515;MM115515;CC1(CO)C=NN=C1;IEZKWQNIRYEUIR-UHFFFAOYSA-N;112.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115516;MM115516;CC1(CF)C=NN=C1;OIFAFGXACBNATB-UHFFFAOYSA-N;114.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115517;MM115517;NCC1(N)C=NN=C1;AKNSYDUHBCAYOP-UHFFFAOYSA-N;112.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115518;MM115518;CCC1(O)C=NN=C1;MPVGMNVBDQIVJS-UHFFFAOYSA-N;112.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115519;MM115519;NCC1(O)C=NN=C1;CATFDUPAYZEGAH-UHFFFAOYSA-N;113.12;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115520;MM115520;CCC1(F)C=NN=C1;TYMXDGQNCQTONW-UHFFFAOYSA-N;114.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115521;MM115521;COC1(C)C=NN=C1;ZSZJVZFNBDVDDK-UHFFFAOYSA-N;112.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115522;MM115522;C=CC1(C)C=CC=C1;VOHIHDXOMRVVLY-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115523;MM115523;CC1(C=O)C=CC=C1;BLSHVZFQMOHKRQ-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115524;MM115524;CC1(C#N)C=CC=C1;YIGGJWKIGDNJIC-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115525;MM115525;C=CC1(N)C=CC=C1;HXHRTGYXDSEXHP-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115526;MM115526;C=Cc1cn(O)cn1;JIXZBIIHASQRBX-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115527;MM115527;O=CC1(O)C=CC=C1;KWLOKTNYGLDDIY-UHFFFAOYSA-N;110.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115528;MM115528;N#CC1(O)C=CC=C1;WDRQSGWDEMPAJQ-UHFFFAOYSA-N;107.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115529;MM115529;C=CC1(F)C=CC=C1;WVFQWJJWIQYXST-UHFFFAOYSA-N;110.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115530;MM115530;O=CC1(F)C=CC=C1;KCMAZDGLNTUHPV-UHFFFAOYSA-N;112.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115531;MM115531;C=CC1(C)C=NN=C1;ZARXTYMBKKMYKQ-UHFFFAOYSA-N;108.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115532;MM115532;CC1(C=O)C=NN=C1;RFMNNEHHBYKZJD-UHFFFAOYSA-N;110.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115533;MM115533;CC1(C#N)C=NN=C1;LQYLEJRGXBOGPX-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115534;MM115534;C=CC1(O)C=NN=C1;QKKXDVQQMUTSRQ-UHFFFAOYSA-N;110.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115535;MM115535;C=CC1(F)C=NN=C1;UBFWSXHLIFOQON-UHFFFAOYSA-N;112.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115536;MM115536;O=CC1(F)C=NN=C1;BHZUJMZINUZGCP-UHFFFAOYSA-N;114.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115537;MM115537;N#CC1(F)C=NN=C1;JZSNYOZGPHXXPG-UHFFFAOYSA-N;111.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115538;MM115538;C#CC1(C)C=CC=C1;PXUXFOHCUNVZEA-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115539;MM115539;C#CC1(O)C=CC=C1;RRJHBGHDMZFVRA-UHFFFAOYSA-N;106.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115540;MM115540;C#CC1(C)C=NN=C1;SXTQESBWCGKCSX-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115541;MM115541;C#CC1(O)C=NN=C1;RTKVESNAJTULAB-UHFFFAOYSA-N;108.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115542;MM115542;C#CC1(F)C=NN=C1;ZPYHZAWFEWTFQA-UHFFFAOYSA-N;110.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115543;MM115543;CC(CN)C1(C)CC1;YRFPQNGNLZUHHO-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115544;MM115544;ON=C1CC2CN2N1;OXUVJQKRKYTRTI-UHFFFAOYSA-N;113.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115545;MM115545;CC(CF)C1(C)CC1;AMGDLJXCWXANMR-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115546;MM115546;CC1(C(N)CN)CC1;PHERCRTULMUMOJ-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115547;MM115547;CC1(C(N)CO)CC1;NWUXLSPUTVHNAP-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115548;MM115548;CC1(C(N)CF)CC1;GWCKLLVVXDYUER-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115549;MM115549;CC1(C(O)CN)CC1;HSKOVXSDGPPHJZ-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115550;MM115550;CC1(C(O)CO)CC1;IOYZOWOMVCTMEV-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115551;MM115551;CC1(C(O)CF)CC1;MSMWMJSPMXNOAV-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115552;MM115552;CCC(F)C1(C)CC1;LMHHAYNYXNMJTP-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115553;MM115553;CC(CN)C1(N)CC1;MRQINVWGJROKKQ-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115554;MM115554;CC(CO)C1(N)CC1;HUVKFQYQTOLFDL-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115555;MM115555;CC(CF)C1(N)CC1;LQSNXCRDBPVLGW-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115556;MM115556;NCC(N)C1(N)CC1;KRNPGXSOQJJONM-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115557;MM115557;NC(CO)C1(N)CC1;NPFULKUZMJCAHA-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115558;MM115558;NC(CF)C1(N)CC1;RJPXWBVKWFXQED-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115559;MM115559;CCC(O)C1(N)CC1;YKWAZGSIVLLXOD-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115560;MM115560;NCC(O)C1(N)CC1;DBGNUBWMLHFGCK-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115561;MM115561;NC1(C(O)CO)CC1;NFCSZSHTMAFMPT-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115562;MM115562;NCC(F)C1(N)CC1;UYAFWNCKKVNSDK-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115563;MM115563;CC1=NC(C)(C)C(=O)N1;XLBZCZACYFDRQZ-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115564;MM115564;CC(CF)C1(O)CC1;AGLYWQOARMHAAB-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115565;MM115565;NC(CF)C1(O)CC1;TUJXOXHCJNXYDC-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115566;MM115566;CCC(O)C1(O)CC1;GVTHGIPTCXSUQH-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115567;MM115567;NCC(O)C1(O)CC1;AGNPYHZLOLVUBC-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115568;MM115568;OC(CF)C1(O)CC1;SEXDGTGANYYWEQ-UHFFFAOYSA-N;120.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115569;MM115569;CCC(C)C1(F)CC1;QRTHEJRBWJIDMM-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115570;MM115570;CC(CN)C1(F)CC1;SODWQSSRTCUSSV-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115571;MM115571;CCC(N)C1(F)CC1;IDSZXJRDMOKNPD-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115572;MM115572;NCC(N)C1(F)CC1;NTMXPJMRTQCFCH-UHFFFAOYSA-N;118.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115573;MM115573;NC(CO)C1(F)CC1;SFQHXISCARYQED-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115574;MM115574;CCC(O)C1(F)CC1;HGBAZJKNOFWHCI-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115575;MM115575;NCC(O)C1(F)CC1;XCKJYTKNSFEMNW-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115576;MM115576;OC(CF)C1(F)CC1;DQMXWCPFIBGOAA-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115577;MM115577;CNC(C)C1(C)CC1;BLISZBYFASHPAB-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115578;MM115578;CNC(C)C1(N)CC1;CDHSAIUBZGHJIT-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115579;MM115579;CNC(C)C1(O)CC1;ATRBXBJQMHLWSE-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115580;MM115580;CNC(C)C1(F)CC1;MJGDPRDKQMHNBS-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115581;MM115581;COC(C)C1(C)CC1;RVJSHXMHVUAUSG-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115582;MM115582;COC(C)C1(N)CC1;BKWRXRIZKQNIHH-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115583;MM115583;COC(C)C1(O)CC1;DEADOBCWNJGLMX-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115584;MM115584;COC(C)C1(F)CC1;YNNMTXARYICORL-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115585;MM115585;CCN(C)C1(C)CC1;OPISTBZDQROUTK-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115586;MM115586;CC(CN)C1(C)CN1;VATNWMMKSLHTJN-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115587;MM115587;CC1(C(N)CN)CN1;SLEYVABROIVALA-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115588;MM115588;CC1(C(N)CO)CN1;NQIKYKFRLSCPFQ-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115589;MM115589;CC1(C(N)CF)CN1;LOVRNUCIZOTMIU-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115590;MM115590;CC1(C(O)CN)CN1;YGQAWFGPAGCNCL-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115591;MM115591;CNC(C)C1(C)CN1;FMIADZZOEXPJEV-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115592;MM115592;CCC(C)C1(C)CO1;XRYOOZWHQGGKMY-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115593;MM115593;CC(CN)C1(C)CO1;SBCJWFVKJRPFOY-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115594;MM115594;CC(CO)C1(C)CO1;TXIUIIAOAIWYAX-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115595;MM115595;CC(CF)C1(C)CO1;ZVVIXMCNMDCFQT-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115596;MM115596;CC1(C(N)CN)CO1;YNDNLEHAGDPMQS-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115597;MM115597;CC1(C(N)CO)CO1;YXIISSRMTNRASI-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115598;MM115598;CCC(O)C1(C)CO1;JOULHMRAPSKNHJ-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115599;MM115599;CNC(C)C1(C)CO1;MVDIJZZHJBGJFN-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115600;MM115600;COC(C)C1(C)CO1;UNABAOUGNOATDN-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115601;MM115601;C=CC(C)C1(C)CC1;BECUGYOOTVSSMX-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115602;MM115602;CC(C=O)C1(C)CC1;OFBKFQUYLSFYRB-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115603;MM115603;CC(C#N)C1(C)CC1;MKIUUSTYUSWCDC-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115604;MM115604;C=CC(N)C1(C)CC1;BJPMGMHZILDJGI-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115605;MM115605;CC(=O)NC=NN=CN;BDCCXTBEZTZXQV-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115606;MM115606;CC1(C(O)C=O)CC1;CGEQOBQWGSQRNJ-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115607;MM115607;CC1(C(O)C#N)CC1;GQTAWUHGICFYJT-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115608;MM115608;C=CC(F)C1(C)CC1;BUFARCACSCRHEK-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115609;MM115609;CC1(C(F)C#N)CC1;CKADAYGFSXSUEZ-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115610;MM115610;C=CC(C)C1(N)CC1;SOSOHTCKVDWNRS-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115611;MM115611;C=CC(N)C1(N)CC1;YQMGRIOWCWOSEU-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115612;MM115612;C=CC(O)C1(N)CC1;XSLUZDZUXMBIPC-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115613;MM115613;CC(C=O)C(=O)NC=N;JIPDTKOYZWKGOQ-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115614;MM115614;CC(C=O)C1(O)CC1;MTVAPTAEWQWNJI-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115615;MM115615;CC(C#N)C1(O)CC1;QCGYSTVAUDDDHD-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115616;MM115616;C=CC(N)C1(O)CC1;FLZNTJAZKRERDJ-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115617;MM115617;C=CC(O)C1(O)CC1;RFLUVANBKKGLTH-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115618;MM115618;O=CC(O)C1(O)CC1;XIAACLOJYACUDR-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115619;MM115619;N#CC(O)C1(O)CC1;JXEQEZNFPLSHOV-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115620;MM115620;C=CC(F)C1(O)CC1;DWYNIUBCWILRSQ-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115621;MM115621;N#CC(F)C1(O)CC1;WORNPTLCXZFUJI-UHFFFAOYSA-N;115.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115622;MM115622;C=CC(C)C1(F)CC1;DSPLNGFYTQOOAI-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115623;MM115623;CC(C=O)C1(F)CC1;GHYLLWSAZASKQG-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115624;MM115624;CC(C#N)C1(F)CC1;NBWFALDLSKSWBR-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115625;MM115625;C=CC(N)C1(F)CC1;SHHSOVGRJXAAAW-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115626;MM115626;C=CC(O)C1(F)CC1;FZNDMGXWKMGACA-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115627;MM115627;N#CC(O)C1(F)CC1;SWPZHNYMWUDXAN-UHFFFAOYSA-N;115.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115628;MM115628;N#CC(F)C1(F)CC1;HKEQXDWSFULSIK-UHFFFAOYSA-N;117.1;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115629;MM115629;CN(C=O)C1(C)CC1;JCBXPHPDUOVVGA-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115630;MM115630;CC1(N(N)C=N)CC1;KCDGJZBUYIWZQV-UHFFFAOYSA-N;113.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115631;MM115631;CC1(N(N)C=O)CC1;SPULTMJERUQQQC-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115632;MM115632;C=NN(C)C1(C)CC1;XNZHQRGFSCEOKA-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115633;MM115633;CC(C#N)C1(C)CN1;MHIQSIKAIVRONK-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115634;MM115634;C=CC(N)C1(C)CN1;OJOOITSFLWKENM-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115635;MM115635;N=CNC(=O)N(N)C=O;VZIAEAPRJMMISQ-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115636;MM115636;C=CC(F)C1(C)CN1;RKBWLXSLNZSVMM-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115637;MM115637;CCC(N)=C(C)C=NO;JWDUDTJPVRESLU-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115638;MM115638;CC1(C(F)C#N)CN1;BKAJFDPKEFJRTR-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115639;MM115639;C=CC(C)C1(C)CO1;XQTJKKCBUCOFRF-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115640;MM115640;CC(C=O)C1(C)CO1;KYGKMRVAOLKYGK-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115641;MM115641;CC(C#N)C1(C)CO1;CRFGBVLXEOBGBF-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115642;MM115642;C=CC(N)C1(C)CO1;WFMSTCQQRUXVRY-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115643;MM115643;C=CC(O)C1(C)CO1;KYUMSULTBDODCR-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115644;MM115644;CC1(C(O)C=O)CO1;FUNIHXJAXNKVQS-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115645;MM115645;CC1(C(O)C#N)CO1;NHTOIONFRSPULL-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115646;MM115646;CC1(C(F)C#N)CO1;LEPZKDJAQRQZDF-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115647;MM115647;C#CC(C)C1(C)CC1;LLYBQHMXJCOIFO-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115648;MM115648;C#CC(N)C1(C)CC1;LRSNSYQZJUKLOK-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115649;MM115649;C#CC(O)C1(C)CC1;BQVBPUAVASUJDJ-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115650;MM115650;C#CC(F)C1(C)CC1;CJWHFWLDBRVJDZ-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115651;MM115651;C#CC(C)C1(N)CC1;OXUGZLHLMIOZHO-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115652;MM115652;C#CC(N)C1(N)CC1;STMZXPIARWIEEQ-UHFFFAOYSA-N;110.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115653;MM115653;C#CC(O)C1(N)CC1;SAZTZUOMVMUNPP-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115654;MM115654;C#CC(F)C1(N)CC1;SNHKPRALMWIRJI-UHFFFAOYSA-N;113.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115655;MM115655;CC=Cc1n[nH]c(N)n1;YOUQTWCWTGQPPP-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115656;MM115656;C#CC(N)C1(O)CC1;YJFXPCLETCRYRP-UHFFFAOYSA-N;111.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115657;MM115657;C#CC(O)C1(O)CC1;WCFPWPLBBDLDKP-UHFFFAOYSA-N;112.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115658;MM115658;C#CC(F)C1(O)CC1;SNHMVQMLUQRILP-UHFFFAOYSA-N;114.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115659;MM115659;C#CC(C)C1(F)CC1;XZGZJRMZOCOLNY-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115660;MM115660;C#CC(O)C1(F)CC1;YAFNZHSLDPKOFB-UHFFFAOYSA-N;114.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115661;MM115661;C#CC(F)C1(F)CC1;ITEYLUGZPUGCIH-UHFFFAOYSA-N;116.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115662;MM115662;C#CC(N)C1(C)CN1;VIDJNCRIUIZTTQ-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115663;MM115663;C#CC(F)C1(C)CN1;HDRWRNKYCKMHCB-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115664;MM115664;C#CC(C)C1(C)CO1;ZVEJHJIDGSSLNW-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115665;MM115665;C#CC(N)C1(C)CO1;PLLJTOSUAMROJF-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115666;MM115666;C#CC(O)C1(C)CO1;FMCJMCYAWGQOEP-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115667;MM115667;C#CC(F)C1(C)CO1;WLKQLVUCHMEIBZ-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115668;MM115668;CCCCC1(C)CC1;GBNARZDOKOFVFC-UHFFFAOYSA-N;112.22;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115669;MM115669;CC1(CCCN)CC1;YHXCFPMSOIXPTP-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115670;MM115670;CC1(CCCO)CC1;HDXYPDIVHHCIPN-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115671;MM115671;CC1(CCCF)CC1;WFUMAXDLBNWKGY-UHFFFAOYSA-N;116.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115672;MM115672;CCCCC1(N)CC1;PUUGBPNQGGDVES-UHFFFAOYSA-N;113.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115673;MM115673;NCCCC1(N)CC1;HXBXYLBIAGCKOQ-UHFFFAOYSA-N;114.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115674;MM115674;NC1(CCCO)CC1;NRPKAIWKJLKCAF-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115675;MM115675;NC1(CCCF)CC1;IJNWKJHZMMYMKG-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115676;MM115676;OCc1cnc(CO)[nH]1;NXSVXSOFQMAGAB-UHFFFAOYSA-N;128.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115677;MM115677;NCCCC1(O)CC1;CJIZRCHYVWNICV-UHFFFAOYSA-N;115.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115678;MM115678;OCCCC1(O)CC1;YPWSIMPMYBEPTI-UHFFFAOYSA-N;116.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115679;MM115679;OC1(CCCF)CC1;NILDMMZLJKZFTO-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115680;MM115680;CCCCC1(F)CC1;BYFWXAYEJDQGCK-UHFFFAOYSA-N;116.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115681;MM115681;NCCCC1(F)CC1;NCYYXVQZWAXYLD-UHFFFAOYSA-N;117.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115682;MM115682;OCCCC1(F)CC1;ODQWLXBPSIFIEP-UHFFFAOYSA-N;118.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115683;MM115683;FCCCC1(F)CC1;GMLVYHARFFXWOG-UHFFFAOYSA-N;120.14;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115684;MM115684;CNCCC1(C)CC1;RJSMKLXWQWKKOO-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115685;MM115685;CNCCC1(N)CC1;JRRDVDLUXXWIFF-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115686;MM115686;CNCCC1(O)CC1;JWDHZSCOAFAZFA-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115687;MM115687;CNCCC1(F)CC1;MVAATVZVYKVHHX-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115688;MM115688;COCCC1(C)CC1;XHFHHCSZPBEHDL-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115689;MM115689;COCCC1(N)CC1;JNXFZENQJRJCPG-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115690;MM115690;COCCC1(O)CC1;HFARQBBTDYBCPI-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115691;MM115691;COCCC1(F)CC1;UZBIOJPIZONYFS-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115692;MM115692;CCNCC1(C)CC1;HMKNMWDCBMVASY-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115693;MM115693;CCNCC1(N)CC1;XMGCJEICSROMBV-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115694;MM115694;CCNCC1(O)CC1;UHSGAYTWMVVZIX-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115695;MM115695;CCNCC1(F)CC1;DGMNFDATDBPLNZ-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115696;MM115696;CCOCC1(C)CC1;YBARSJFTQMOXPJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115697;MM115697;CCOCC1(N)CC1;HVHWGPDMFDCKCC-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115698;MM115698;CCOCC1(O)CC1;XOIMIFZHNMYTJC-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115699;MM115699;CCOCC1(F)CC1;BNOIAMLQFHAYID-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115700;MM115700;CCCNC1(C)CC1;FHINVPOSCRFLIA-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115701;MM115701;CC1(NCCN)CC1;JYBPSYZQIGQVOE-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115702;MM115702;CC1(NCCO)CC1;BGGIELACZSYPJI-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115703;MM115703;CC1(NCCF)CC1;RDFLQDCJNGLGEG-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115704;MM115704;CCCOC1(C)CC1;SCQFYLHWRGCSPX-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115705;MM115705;CC1(OCCN)CC1;YFNFZOPKMRXINA-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115706;MM115706;CC1(OCCO)CC1;TYIFOPYCGBVBFC-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115707;MM115707;CC1(OCCF)CC1;JXYLLNHWKNZKPY-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115708;MM115708;COCOC1(C)CC1;RXOKZRPVKUQBFN-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115709;MM115709;CC1(CCCN)CN1;FAYCNZUKFBWZSC-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115710;MM115710;CNCCC1(C)CN1;YEPAPVLJBYWSSK-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115711;MM115711;CCNCC1(C)CN1;RTEVWYIOLJYIKD-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115712;MM115712;CCCCC1(C)CO1;ZTCDEKMURLCFQJ-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115713;MM115713;CC1(CCCN)CO1;NCLXWYKMQCZMOV-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115714;MM115714;CC1(CCCO)CO1;CRSWBAWAEULXSA-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115715;MM115715;CC1(CCCF)CO1;TXGHYJHJDSLKMN-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115716;MM115716;CNCCC1(C)CO1;ZWUQVHSVPNHQCZ-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115717;MM115717;COCCC1(C)CO1;BNLGYKNXUGMKOD-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115718;MM115718;CCNCC1(C)CO1;ASUUTZXBHSXCRD-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115719;MM115719;CCOCC1(C)CO1;ZOJMHUQFBDAMKW-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115720;MM115720;C=CCCC1(C)CC1;HMIUXHMWJGQWQA-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115721;MM115721;CC1(CCC=O)CC1;DGFPYIKCOKQJPR-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115722;MM115722;CC1(CCC#N)CC1;URRUITOYANCIJC-UHFFFAOYSA-N;109.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115723;MM115723;C=CCCC1(N)CC1;WSIWLAMOYQRRGR-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115724;MM115724;CC(=O)ONC(=O)C(=N)N;XOKNBTJNFXASLL-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115725;MM115725;O=CCCC1(O)CC1;BQHSNOYAAIXKBO-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115726;MM115726;N#CCCC1(O)CC1;VMLCRQYPPNYXDL-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115727;MM115727;C=CCCC1(F)CC1;RWYXSDSJCVFKQC-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115728;MM115728;O=CCCC1(F)CC1;JOUINXYCKXYABL-UHFFFAOYSA-N;116.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115729;MM115729;N#CCCC1(F)CC1;WLNQNETXKVMPMA-UHFFFAOYSA-N;113.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115730;MM115730;CC1(CNC=N)CC1;IVDPOKRPQINLKZ-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115731;MM115731;CC(=N)N=CNC(=O)NN;BGPVBEAGLASHKY-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115732;MM115732;N=CNCC1(N)CC1;DGAXCEJGFVZBRC-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115733;MM115733;NC1(CNC=O)CC1;ZIZXSZSJYOUNFE-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115734;MM115734;N=CNCC1(O)CC1;RRWLXKLNUGAZLN-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115735;MM115735;O=CNCC1(O)CC1;ZXSCFAPBQNEWPW-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115736;MM115736;N=CNCC1(F)CC1;XGWONANAGORHQA-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115737;MM115737;O=CNCC1(F)CC1;XSTUZGZZJMNIMD-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115738;MM115738;C=NNCC1(C)CC1;IYWOZCXMLIYDMF-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115739;MM115739;C=NNCC1(N)CC1;BIPNKLOILFTKKI-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115740;MM115740;CCC(=O)NC(=O)NC=N;VNUPCUYBCXGWKN-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115741;MM115741;C=NNCC1(F)CC1;AIQBOXDQJBHSOA-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115742;MM115742;C=COCC1(C)CC1;KYAWAVGYIHFEML-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115743;MM115743;CC1(COC=O)CC1;ZIVOCEIIMPQVSD-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115744;MM115744;C=COCC1(N)CC1;BWKJFZCKXWFTOX-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115745;MM115745;NC1(COC=O)CC1;BSGIRMWPTXUBMP-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115746;MM115746;C=COCC1(O)CC1;LKSPKXLUTCBZQP-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115747;MM115747;O=COCC1(O)CC1;YQESHGMBLUNZFZ-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115748;MM115748;C=COCC1(F)CC1;XFKLKQAXNLYECM-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115749;MM115749;O=COCC1(F)CC1;JLOZDQPSNAOJDD-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115750;MM115750;C=NOCC1(C)CC1;UATQQBGOJOYYFG-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115751;MM115751;C=NOCC1(N)CC1;YHFIYMIHWKMDGE-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115752;MM115752;CN(C=NO)CC(O)C#N;AZNPLMVFYBGSAS-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115753;MM115753;C=NOCC1(F)CC1;DSXVCOJDYONEBL-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115754;MM115754;C=CCNC1(C)CC1;FTAZGUYWDNLHEP-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115755;MM115755;CC1(NCC#N)CC1;ZMKUJNHSDBBUEZ-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115756;MM115756;CC1(NNC=N)CC1;HGWCTJASNSNATO-UHFFFAOYSA-N;113.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115757;MM115757;CCOC(=N)NC(C)=NO;KUXPHBPYUZLDLM-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115758;MM115758;C=CCOC1(C)CC1;JMRWEAPSRDYJIW-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115759;MM115759;CC1(OCC=O)CC1;XOHNACIYCIZJOG-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115760;MM115760;CC1(OCC#N)CC1;SAEOPEBLIVQZIN-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115761;MM115761;CC1(ONC=N)CC1;KYTSLMYYUQLPRP-UHFFFAOYSA-N;114.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115762;MM115762;CC1(ONC=O)CC1;QHFQWYFAXIJMOV-UHFFFAOYSA-N;115.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115763;MM115763;CC1(CNC=N)CN1;AULUTSYUPQUCAL-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115764;MM115764;C=NOCC1(C)CN1;BXYYKDMBSLSARA-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115765;MM115765;C=CCCC1(C)CO1;MTINRKRIMNFYKO-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115766;MM115766;CC1(CCC=O)CO1;GFLPXYOXRYIQSY-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115767;MM115767;CC1(CCC#N)CO1;XIDHRIPCDCDBPA-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115768;MM115768;CC1(CNC=N)CO1;FKMFLEUVBSSJOO-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115769;MM115769;CC(=NN=CNN)NC=O;MVCANWGPDNXKHE-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115770;MM115770;C=NNCC1(C)CO1;RLAXTTWXYZEWJR-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115771;MM115771;C=COCC1(C)CO1;TUXVXSJGENYBHS-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115772;MM115772;CC1(COC=O)CO1;GSTYDYAFDDCMQI-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115773;MM115773;C=NOCC1(C)CO1;BADXXZFNISTMBU-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115774;MM115774;C#CCCC1(C)CC1;COWNZLHQNXNMBS-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115775;MM115775;C#CCCC1(N)CC1;ULHPUFMHFSMKGC-UHFFFAOYSA-N;109.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115776;MM115776;CC(=O)N(N)C(=O)NC=N;YTNNSRUQKFCFQE-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115777;MM115777;C#CCCC1(F)CC1;BJOIKUHEGIZAAV-UHFFFAOYSA-N;112.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115778;MM115778;C#CCNC1(C)CC1;PRCBNUGUVYYPDB-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115779;MM115779;C#CCOC1(C)CC1;GEGLCEMEPSOJRT-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115780;MM115780;C#CCCC1(C)CO1;VQOZUNWUSGPGHV-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115781;MM115781;Nc1cn(N)cc(O)c1=O;LYCMTPOVVFNUIX-UHFFFAOYSA-N;141.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115782;MM115782;CC1C(C)C1(C)CF;UJVYDDPBWMLUPR-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115783;MM115783;CC1C(N)C1(C)CN;LZIOTNQDMRPTKB-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115784;MM115784;CC1C(N)C1(C)CO;ZOTPUGNPRPVNDE-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115785;MM115785;CC1C(N)C1(C)CF;NNTDQIZUNJAKNR-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115786;MM115786;CC(=NO)C(=N)NC=NN;UURATKXTRIFYFF-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115787;MM115787;CC1C(O)C1(C)CN;FQLFLRJYGRZTHS-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115788;MM115788;CC1C(O)C1(C)CO;GQDQFEBQYHERBG-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115789;MM115789;CCC1(C)C(C)C1F;KWNOQXANSIDQPM-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115790;MM115790;CC1C(F)C1(C)CN;ZWBVMXPCFAVFQH-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115791;MM115791;CC1C(F)C1(C)CO;BZFNYOSHMGSLTK-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115792;MM115792;CC1C(F)C1(C)CF;OICFGCVJZXCTRV-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115793;MM115793;CCC1(C)C(N)C1N;IRGYRRUQRZSOKK-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115794;MM115794;CC1(CN)C(N)C1N;UQLIKSIXOBNXHV-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115795;MM115795;CC1(CO)C(N)C1N;TWSWCRILNMXNLT-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115796;MM115796;CCC1(C)C(N)C1O;DLMDDQKEICDBOQ-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115797;MM115797;CC1(CN)C(N)C1O;UJIFKAKTIFOGCA-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115798;MM115798;CC1(CO)C(N)C1O;MALZCLNMDPSEMA-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115799;MM115799;CCC1(C)C(N)C1F;PYZGXFPKGMPWNH-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115800;MM115800;CC1(CN)C(N)C1F;AEVMUPMTDXRPKH-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115801;MM115801;CCC1(C)C(O)C1O;GWDSVRXUZWPMMM-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115802;MM115802;CC1(CN)C(O)C1O;DFVPGQFCXSZYKU-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115803;MM115803;CCC1(C)C(O)C1F;MGFIHLVTGIFSBP-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115804;MM115804;CC1(CN)C(O)C1F;RAXXNWFCYHHQDT-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115805;MM115805;CC1(CO)C(O)C1F;MCDUWNDEASNROL-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115806;MM115806;CC1(CF)C(O)C1F;JOCVUEVSQYCHII-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115807;MM115807;CC1(CN)C(F)C1F;LBWXKXTTXBXWQR-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115808;MM115808;CCC1(N)C(C)C1C;PCJMBUCECDKSBA-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115809;MM115809;CCC1(N)C(C)C1N;QMLQWFZVQBGEIR-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115810;MM115810;CCC1(N)C(C)C1O;AZSBISJMYYYKOE-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115811;MM115811;CC1C(O)C1(N)CN;FWUFAFXPCOWOQV-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115812;MM115812;CC1C(O)C1(N)CO;QOAIJYYBEGLMFY-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115813;MM115813;CC1C(F)C1(N)CN;BTBXVPYMEKUTCV-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115814;MM115814;CCC1(N)C(N)C1N;WUFJZLOVVGLKPT-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115815;MM115815;NCC1(N)C(N)C1N;IIUVMTJSDVMETJ-UHFFFAOYSA-N;116.17;-2.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115816;MM115816;CCC1(N)C(N)C1O;CQNVFMNOALWDEZ-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115817;MM115817;NCC1(N)C(N)C1O;DRQOHGLGVYJYFH-UHFFFAOYSA-N;117.15;-2.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115818;MM115818;CCC1(N)C(O)C1O;DOCHFVKXVQVVLW-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115819;MM115819;NC(CCOCC=O)=NO;OGJHIFFJBPGBHC-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115820;MM115820;CCC1(O)C(C)C1O;KIMBCBGVVLNTNS-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115821;MM115821;NCC1(O)C(N)C1N;GOHRRRNPUCEGQD-UHFFFAOYSA-N;117.15;-2.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115822;MM115822;CNC1(C)C(C)C1C;XXLZIMXQRVUNLJ-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115823;MM115823;CNC1(C)C(C)C1N;HPATZRYRQANJHT-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115824;MM115824;CNC1(C)C(C)C1O;GEDRYHYFTXYWBD-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115825;MM115825;CNC1(C)C(C)C1F;LPVYXOLIMCWBGE-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115826;MM115826;CNC1(C)C(N)C1N;QFDQFNLFEZIRAR-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115827;MM115827;CNC1(C)C(N)C1O;LQAZAMVWYOBYFV-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115828;MM115828;CNC1(C)C(O)C1O;JOZKZYCSUQXBCZ-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115829;MM115829;COC1(C)C(C)C1C;PAYRMTSDZTWEFI-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115830;MM115830;COC1(C)C(C)C1N;MZHLQBMMRORWGR-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115831;MM115831;COC1(C)C(C)C1O;GFDQKZCWWXJOBX-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115832;MM115832;COC1(C)C(C)C1F;YGJMWEZXODXKBZ-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115833;MM115833;COC1(C)C(N)C1N;MHACWVGQQZCTNY-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115834;MM115834;COC1(C)C(N)C1O;OTOPNQNIUVOUCT-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115835;MM115835;CC1N(C)C1(C)CN;DNQAWOSYDQDZTG-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115836;MM115836;CC1N(C)C1(C)CF;KDTLLFNTUUTIMA-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115837;MM115837;CC1C(C)C1(C)C=O;VHDIDAFHSSNDIC-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115838;MM115838;C=CC1(C)C(C)C1N;UJKZMTYOMNANQU-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115839;MM115839;C=CNC=NOC(=O)NN;KMTXICLRAZHKFW-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115840;MM115840;CC1C(O)C1(C)C=O;HIHLRSKFLUZMFZ-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115841;MM115841;CC1C(O)C1(C)C#N;WWWUHAIJQJAOSO-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115842;MM115842;C=CC1(C)C(C)C1F;LTOQNZPXENBOLN-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115843;MM115843;CC1C(F)C1(C)C=O;XHEOILUOAKBCBZ-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115844;MM115844;CC1C(F)C1(C)C#N;CMLVYWNBSUZHSU-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115845;MM115845;C=CC1(C)C(N)C1N;ODOXMHQBJAQMEL-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115846;MM115846;C=CC1(C)C(N)C1O;UINSMFABSFTUGE-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115847;MM115847;C=CC1(C)C(O)C1O;BPLFBSZCQMWXQF-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115848;MM115848;CC1(C=O)C(O)C1O;MNYJDKBPZLAPBJ-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115849;MM115849;CC1(C#N)C(O)C1O;XEMUAELOLWFGKN-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115850;MM115850;C=CC1(C)C(O)C1F;MHVKEUJMYCYTNF-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115851;MM115851;CC1(C#N)C(O)C1F;JMWIJVTYSMRELB-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115852;MM115852;C=CC1(C)C(F)C1F;NNMQDOIKRQHJNL-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115853;MM115853;C=CC1(N)C(C)C1N;SAKQSEVOTJVHRB-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115854;MM115854;C=CC1(N)C(C)C1O;JGLQIBFJOBIIQF-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115855;MM115855;C=CC1(N)C(C)C1F;XCJNQKAFLUGHED-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115856;MM115856;C=CC1(N)C(N)C1N;WWDCHECSBZEOSN-UHFFFAOYSA-N;113.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115857;MM115857;C=CC1(N)C(N)C1O;FSECZMGWGIDBQJ-UHFFFAOYSA-N;114.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115858;MM115858;C=CC1(N)C(O)C1O;UXCACKXUYPGHKF-UHFFFAOYSA-N;115.13;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115859;MM115859;C=CC1(O)C(C)C1N;BLYYXLVOKLIWOY-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115860;MM115860;CC1C(O)C1(O)C#N;YUCZEFKBUIDELM-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115861;MM115861;C=CC1(O)C(N)C1N;KFGAVWKFAASGOC-UHFFFAOYSA-N;114.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115862;MM115862;C=CC1(O)C(N)C1O;MABUJCDSVZNCJU-UHFFFAOYSA-N;115.13;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115863;MM115863;C=CC1(C)C(C)N1C;BCDJVYZYVRRHTI-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115864;MM115864;CC1N(C)C1(C)C=O;SGJULCFGPFZZHV-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115865;MM115865;CC1N(C)C1(C)C#N;MARAYSREOOXFKA-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115866;MM115866;CN=CN=CNC(=O)NN;XCVHZKCLZMKLSM-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115867;MM115867;C#CC1(C)C(C)C1F;LNDASQXONAZLKZ-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115868;MM115868;C#CC1(C)C(N)C1N;JAQIOXAUQCRUHR-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115869;MM115869;C#CC1(C)C(N)C1O;GAORWJFLBPQKEF-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115870;MM115870;C#CC1(C)C(O)C1O;VXZHDRXHPDZLIC-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115871;MM115871;C#CC1(C)C(O)C1F;OJCOZEJGMNCXGA-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115872;MM115872;C#CC1(N)C(C)C1N;BSPLFKHJPNSHDH-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115873;MM115873;C#CC1(N)C(C)C1O;HXZSVOPSBQQKAB-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115874;MM115874;C#CC1(O)C(C)C1N;JBGBUDAIMULTMX-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115875;MM115875;C#CC1(O)C(C)C1O;OBNZBHFNBRRIMB-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115876;MM115876;C#CC1(O)C(C)C1F;LSSRDUOVDFLVKV-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115877;MM115877;C#CC1(O)C(N)C1N;ANHDWTFZKQPXGY-UHFFFAOYSA-N;112.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115878;MM115878;C#CC1(O)C(O)C1O;NIWWTHAVEAXWLK-UHFFFAOYSA-N;114.1;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115879;MM115879;C#CC1(F)C(C)C1C;CFNAQSWFLXFAEW-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115880;MM115880;CCCC(CC)CC;SFRKSDZMZHIISH-UHFFFAOYSA-N;114.23;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115881;MM115881;CCC(CC)CCN;ICXOGAOKYGLFHU-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115882;MM115882;CC=CCC(C=NO)=CN;WNUKYZVGQXEWMX-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115883;MM115883;CCC(CC)CCF;ZBUSIDUQNKNDNH-UHFFFAOYSA-N;118.2;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115884;MM115884;CCCC(CC)CN;JMWKVOZQRYHIHA-UHFFFAOYSA-N;115.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115885;MM115885;CCC(CN)CCF;UWTUYIHKFAYFDZ-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115886;MM115886;N#CC#CC1=NNC(=N)C1;UASWFEBEEBQALU-UHFFFAOYSA-N;132.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115887;MM115887;CCC(CO)CCF;LNRLFZYEBAAPIM-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115888;MM115888;CCC(CF)CCN;XGJNYZXRGBEKIK-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115889;MM115889;CCC(CF)CCO;QNCXWGRMTGKZHJ-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115890;MM115890;CCC(CF)CCF;VPNLGKORWMTCKC-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115891;MM115891;NCCC(CN)CN;GSHSCASTCVYMCJ-UHFFFAOYSA-N;117.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115892;MM115892;NCC(CN)CCO;ORSDDJNOFBSLOD-UHFFFAOYSA-N;118.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115893;MM115893;NCCC(CN)CO;FGOMXUSPSCQGCQ-UHFFFAOYSA-N;118.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115894;MM115894;NCCC(CN)CF;JHUPWAOWLLPFAB-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115895;MM115895;NCC(CF)CCO;QSEZCVNXWJUNQV-UHFFFAOYSA-N;121.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115896;MM115896;CCCC(CO)CO;FZHZPYGRGQZBCV-UHFFFAOYSA-N;118.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115897;MM115897;CCCC(CO)CF;KJDLWLHTCXUVGZ-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115898;MM115898;CCCC(CF)CF;MLXBYFIIPMJDEV-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115899;MM115899;NCCC(CF)CF;IOLUFWDODXHCFL-UHFFFAOYSA-N;123.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115900;MM115900;CCC(CC)CNC;JWBJSGROJJELGZ-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115901;MM115901;CCC(CF)CNC;IJVRZKZIEGYNKD-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115902;MM115902;CNCC(CN)CN;XUZYIDAXBSMUGC-UHFFFAOYSA-N;117.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115903;MM115903;CNCC(CN)CO;SNICCPAVDBUQKL-UHFFFAOYSA-N;118.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115904;MM115904;CNCC(CN)CF;DRWGSEBZVUIQPF-UHFFFAOYSA-N;120.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115905;MM115905;CCC(CC)COC;JWXGQJXUAIXQEP-UHFFFAOYSA-N;116.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115906;MM115906;CCC(CF)COC;OEEWPZWGOGEQPP-UHFFFAOYSA-N;120.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115907;MM115907;COCC(CN)CO;FBEAGGCMOIYUDI-UHFFFAOYSA-N;119.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115908;MM115908;COCC(CF)CF;CWAIEYLICKSDCU-UHFFFAOYSA-N;124.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115909;MM115909;CCCC(CC)NC;NXSVCIHVZNCFHM-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115910;MM115910;CCC(CCF)NC;CSORBIGUOMEACX-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115911;MM115911;CNC(CN)CCN;COWHGSLNRSKYPJ-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115912;MM115912;CNC(CO)CCN;HLTZCDLADPKWOX-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115913;MM115913;CNC(CO)CCO;XRNMVFWWNVEMFP-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115914;MM115914;CNC(CO)CCF;VNRMMYQBIXCRLG-UHFFFAOYSA-N;121.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115915;MM115915;CCCC(CF)NC;FJLAMCMGOAEYOM-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115916;MM115916;CNC(CF)CCN;LSDJCIGXEIDMGF-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115917;MM115917;CNCC(CN)NC;SNCKDNXZRFZHNU-UHFFFAOYSA-N;117.2;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115918;MM115918;CNCC(CO)NC;WDZCRMGCSRDGJT-UHFFFAOYSA-N;118.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115919;MM115919;CNC(CO)COC;UXSUXFCHSYVBTR-UHFFFAOYSA-N;119.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115920;MM115920;CCCC(CC)OC;QNJRNZBXNCPKHQ-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115921;MM115921;CCC(CCN)OC;JEANCYAMWGFTQU-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115922;MM115922;CCC(CCF)OC;VZCDLDIBICYNBC-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115923;MM115923;COC(CN)CCF;AJRZOWORRNOJDU-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115924;MM115924;COC(CO)CCN;LUYJUDVVZRHQGA-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115925;MM115925;COC(CO)CCO;BWVRAKJOMJIOQX-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115926;MM115926;CNCC(CN)OC;PJOPBAPIWKSZDI-UHFFFAOYSA-N;118.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115927;MM115927;CNCC(CO)OC;ASFJGOWKUMTYNG-UHFFFAOYSA-N;119.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115928;MM115928;COCC(CN)OC;XMSLJZMWPNMEGK-UHFFFAOYSA-N;119.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115929;MM115929;COC(CCN)OC;RBBVSKSSGJYBJU-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115930;MM115930;CCNC(CC)CC;BWDGPBXONNMLIO-UHFFFAOYSA-N;115.22;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115931;MM115931;CCNC(CC)CO;BMTAVLCPOPFWKR-UHFFFAOYSA-N;117.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115932;MM115932;CCNC(CC)CF;WJBLPRZKNQSGCE-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115933;MM115933;CCNC(CN)CN;XYOZLLWUTUTLEA-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115934;MM115934;CCNC(CN)CO;SVDAKPXMVCGTRH-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115935;MM115935;CCNC(CN)CF;WEBAUSCPWLEBIH-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115936;MM115936;CCOC(CC)CC;BMAINLNHNVARHJ-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115937;MM115937;CCOC(CC)CF;VDWLMHLZUVSPFI-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115938;MM115938;CCOC(CN)CN;LHYPCRYZSCFULV-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115939;MM115939;CCOC(CN)CO;AHMGBKIQUKZASJ-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115940;MM115940;CCOC(CN)OC;VACMUMPQXACGGR-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115941;MM115941;CCOC(CF)OC;GMOSYIIMCCIGMH-UHFFFAOYSA-N;122.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115942;MM115942;CCCN(CC)CC;PQZTVWVYCLIIJY-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115943;MM115943;CCN(CC)CCN;UDGSVBYJWHOHNN-UHFFFAOYSA-N;116.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115944;MM115944;C=CCC(CC)CC;OPMUAJRVOWSBTP-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115945;MM115945;CCC(CC)CC=O;HIJLVHXVBWTMEV-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115946;MM115946;CCC(CC)CC#N;NVDNQCQTQRKQER-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115947;MM115947;C=CCC(CC)CN;RTCUENMHELOAHX-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115948;MM115948;C=CCC1=NCC(=NO)N1;NFDXAIBHMLDBAU-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115949;MM115949;CCC(CO)CC=O;XUOUOKQGVRHQDN-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115950;MM115950;C=CCC(CC)CF;XXUFTWYVKNJFJN-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115951;MM115951;CCC(CF)CC=O;DZUHUHOHFNOQFA-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115952;MM115952;CCC(CF)CC#N;VFBBKDABFOYGGW-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115953;MM115953;C=CCC(CO)CO;DBYUXTHCHXLVIU-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115954;MM115954;C=CCC(CF)CF;WIRVUXPYDPKMIF-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115955;MM115955;C=CCC(CC)NC;HXPYJKBVQBUUBW-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115956;MM115956;CCC(CC=O)NC;YONIZNBBVFLGMA-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115957;MM115957;C=CCC(CF)NC;IMIRAHHEUFUBJY-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115958;MM115958;C=CCC(CC)OC;MXKALERJRLLYOU-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115959;MM115959;CCC(CC=O)OC;WWSJEGNTLRZBNI-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115960;MM115960;COC(CO)CC=O;ITEPTWRGWUKXIW-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115961;MM115961;CCC(CC)NC=N;BEMAIPOHCUXNKO-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115962;MM115962;CCC(CO)NC=N;JGGJLBUETFZZLF-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115963;MM115963;CCC(CO)NC=O;RNAHCRJSUOBPAM-UHFFFAOYSA-N;117.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115964;MM115964;N=CNC(CN)CO;WHAZUFULFLTDCW-UHFFFAOYSA-N;117.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115965;MM115965;N=CNC(CO)CO;VSIVRIUIACKGDT-UHFFFAOYSA-N;118.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115966;MM115966;N=CNC(CO)CF;PHPIHMXCCYBBTE-UHFFFAOYSA-N;120.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115967;MM115967;NN(C=NO)CCF;FJLVXCHODXGVPZ-UHFFFAOYSA-N;121.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115968;MM115968;C=NNC(CN)CO;YHENEFBDLQEZCV-UHFFFAOYSA-N;117.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115969;MM115969;COC1=NNC(=N)C1;QMHUAFUCQSRTBD-UHFFFAOYSA-N;113.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115970;MM115970;CC(=O)NC(=O)NC=N;NJOKKHJXBPGRTK-UHFFFAOYSA-N;129.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115971;MM115971;CCC(CN)OC=O;OWVWWYXIOULREM-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115972;MM115972;C=COC(CC)CO;YZNSAPBZFPYMQD-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115973;MM115973;CCC(CF)OC=O;SMPCBYFJKMWBGX-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115974;MM115974;O=COC(CO)CO;LDVVTQMJQSCDMK-UHFFFAOYSA-N;120.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115975;MM115975;O=COC(CF)CF;AGCYEUBKPVEZJR-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115976;MM115976;C=NOC(CN)CO;KCWNWQJRKZJLLP-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115977;MM115977;CN(C=NO)C=NC=N;ABLCIAHSWSKGRM-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115978;MM115978;CNC(=O)C(=NO)NN;CXSDYHYRYCYLGV-UHFFFAOYSA-N;132.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115979;MM115979;C=COC(CC)OC;HSWCFPWSRVOYFX-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115980;MM115980;C=COC(CN)OC;HQMRHGSMLRMQKZ-UHFFFAOYSA-N;117.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115981;MM115981;COC(CO)OC=O;LYXPPZZFAXYOKY-UHFFFAOYSA-N;120.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115982;MM115982;C=COC(CF)OC;ILRJXIQCGBTYKS-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115983;MM115983;C=NOC(CC)OC;NAHYZECGHNODJW-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115984;MM115984;C=CCN(CC)CC;JWAJUTZQGZBKFS-UHFFFAOYSA-N;113.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115985;MM115985;N#CC(=N)NC(=N)NC=O;UTEYNSZCKYMTOM-UHFFFAOYSA-N;139.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115986;MM115986;C#CCC(CN)CF;CWPMHVNTKWWKDP-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115987;MM115987;C#CCC(CF)CF;YOGSRXJWCRXAEE-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115988;MM115988;C#CCC(CC)NC;CDAYJVGRAYLRMN-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115989;MM115989;C#CCC(CN)NC;WFVXMSSXRLPMBG-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115990;MM115990;C#CCC(CC)OC;NRRBRFDNTYXCAS-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115991;MM115991;C#CCC(CO)OC;BIAJEDIRJQQZNR-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115992;MM115992;C#CCC(CF)OC;QRBZMKYGKYHSRA-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115993;MM115993;C#CCC(OC)OC;GOMUIECMAFYRJQ-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115994;MM115994;C#CCN(CC)CC;JZJXKEWVUBVOEH-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115995;MM115995;C=CC(CC)CCC;OLGHJTHQWQKJQQ-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115996;MM115996;C=CC(CC)CCN;SNURVTHAOPZKCX-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115997;MM115997;CC(=N)NC(=O)C(O)CO;DWNQEUYPVNXUKB-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115998;MM115998;C=CC(CC)CCF;GGMSXZJUQIEHKA-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM115999;MM115999;CCCC(C=O)CC;OZGRFPZYTKHWMZ-UHFFFAOYSA-N;114.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116000;MM116000;CCCC(C#N)CC;WEZFYBVBPAUJAL-UHFFFAOYSA-N;111.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116001;MM116001;CCC(C=O)CCF;LNRQFCUSRWJLID-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116002;MM116002;CCC(C#N)CCF;ARXRGDYFGREHMF-UHFFFAOYSA-N;115.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116003;MM116003;C=CC(CN)CCC;IGNVHDMVTXSXGO-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116004;MM116004;C=C(OC)C(=O)NC(C)=N;KLKWDHGPPLZZNE-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116005;MM116005;C=CC(CO)CCO;FFEHDWPSBOKYPD-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116006;MM116006;O=CC(CO)CCO;ODINMKBKBBPFNR-UHFFFAOYSA-N;118.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116007;MM116007;N#CC(CO)CCO;NAZVCUHRJZQHFL-UHFFFAOYSA-N;115.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116008;MM116008;N#CC(CO)CCF;JKISLNANGCSATK-UHFFFAOYSA-N;117.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116009;MM116009;C=CC(CF)CCO;YSKBCUIZTLUXBZ-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116010;MM116010;C=CC(CF)CCF;QXXJOLFWRLKEHI-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116011;MM116011;CCCC(C=O)CF;FZMSXEUOUQMQES-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116012;MM116012;N#CC(CF)CCF;XJCXRPXMPQCRCF-UHFFFAOYSA-N;119.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116013;MM116013;C=CC(CC)CNC;AFQFOAQXJJMZDF-UHFFFAOYSA-N;113.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116014;MM116014;C=CC(CC)COC;KNSUQQKLXTYXIY-UHFFFAOYSA-N;114.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116015;MM116015;CCC(C=O)COC;INIMGASQGGJEKZ-UHFFFAOYSA-N;116.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116016;MM116016;COCC(C#N)CO;IBYJNSJSPFOYHT-UHFFFAOYSA-N;115.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116017;MM116017;C=CC(CF)COC;RUTQPGGOYMMWCJ-UHFFFAOYSA-N;118.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116018;MM116018;COCC(C=O)CF;RDCXHPKTCSSDOS-UHFFFAOYSA-N;120.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116019;MM116019;CCON(C)C(=O)NC=N;KLHGZXWGXYVYET-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116020;MM116020;CNCC(C=O)NC;SDWSGNUAXREGBP-UHFFFAOYSA-N;116.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116021;MM116021;C=CC(CCC)OC;SMUGKXLDEHHFJD-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116022;MM116022;C=CC(CCO)OC;KVBBAXLKKDCHKF-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116023;MM116023;C=CC(CCF)OC;SQUHNAOYJSHVQT-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116024;MM116024;COC(C=O)CCO;WEEPLNDQDFQSBR-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116025;MM116025;COC(C#N)CCO;QGACJDCLRLUPNB-UHFFFAOYSA-N;115.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116026;MM116026;CNCC(C=O)OC;VAORIKOXPHBSPW-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116027;MM116027;C=CC(CC)NCC;KDCDWWPEBPMQSA-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116028;MM116028;CCNC(C=O)CC;MYGHYVDKUCKXIX-UHFFFAOYSA-N;115.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116029;MM116029;C=CC(CC)OCC;SDHCTOMIECFJLD-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116030;MM116030;CCOC(C=O)CC;RMJPDSDRGGRKTH-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116031;MM116031;CCOC(C#N)CC;GHMJXRLUKUMGSQ-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116032;MM116032;C=CC(CO)OCC;QDHSRSQZYZLBKM-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116033;MM116033;CCOC(C=O)CO;JPLAIYPBAIPGNP-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116034;MM116034;C=CC(CF)OCC;FPXAEAQAWIUADL-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116035;MM116035;CCOC(C#N)CF;PVLVBVGRFWIUES-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116036;MM116036;CCN(C=N)CCO;VQVJSLVFRQINLF-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116037;MM116037;CCCN(C=O)CC;IXVFRBGOUFYPHX-UHFFFAOYSA-N;115.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116038;MM116038;CCN(C=O)CCN;UWBVHWRDZOSCQU-UHFFFAOYSA-N;116.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116039;MM116039;CCN(C=O)CCF;VQYWCAXVCKVDEY-UHFFFAOYSA-N;119.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116040;MM116040;C=NN(CC)CCC;CFWBKLGCHWBMPM-UHFFFAOYSA-N;114.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116041;MM116041;CCCN(C=N)NC;QVWKZCYUYWQOMT-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116042;MM116042;CNN(C=N)CCN;FLVPHSYIIZGGSY-UHFFFAOYSA-N;116.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116043;MM116043;CNN(C=N)CCO;MCQXGAHELUBVLF-UHFFFAOYSA-N;117.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116044;MM116044;CNN(C=N)CCF;OPXULFQPSVUZAE-UHFFFAOYSA-N;119.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116045;MM116045;CNN(C=O)CCN;BBPNHPRMROWKEP-UHFFFAOYSA-N;117.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116046;MM116046;CNN(C=O)CCF;RLQGEOCGHPIVDU-UHFFFAOYSA-N;120.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116047;MM116047;CCCN(C=N)OC;WMBWSQBCSWSMOW-UHFFFAOYSA-N;116.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116048;MM116048;CON(C=N)CCN;JUMNJJQSTWJTFT-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116049;MM116049;CCCN(C=O)OC;IUMVJRGJUFVYLU-UHFFFAOYSA-N;117.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116050;MM116050;CON(C=O)CCN;UOZRCDBFMQINGP-UHFFFAOYSA-N;118.14;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116051;MM116051;CCON(C=N)CC;WYVNCIZZGPFVKW-UHFFFAOYSA-N;116.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116052;MM116052;CCON(C=O)CC;RCMNKWVXEKKCOV-UHFFFAOYSA-N;117.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116053;MM116053;C=CCC(C=C)CC;GAMCSPXBVVTNSF-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116054;MM116054;C=CC(CC)CC=O;XDKPERKVTUYLFA-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116055;MM116055;C=CC(CC)CC#N;AYJFYLIEFLGHHW-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116056;MM116056;C=CCC(C#N)CC;GHRWIYRGPTXOOW-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116057;MM116057;CCC(C=O)CC=O;FYQMMABWOLQJEQ-UHFFFAOYSA-N;114.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116058;MM116058;CCC(C=O)CC#N;ZHYXXZIETYEENU-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116059;MM116059;CCC(C#N)CC=O;MNIRTAKGTHNOMA-UHFFFAOYSA-N;111.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116060;MM116060;CCC(C#N)CC#N;GDCJAPJJFZWILF-UHFFFAOYSA-N;108.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116061;MM116061;C=CCC(C=C)CN;CCOXQDQJUBOWPG-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116062;MM116062;CN=CNC(=O)N(N)C=N;QCQWZPQMDIYAOA-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116063;MM116063;O=CCC(C=O)CO;SMOIYOJBJOBUMY-UHFFFAOYSA-N;116.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116064;MM116064;N#CCC(C#N)CO;WHGFBONKLUSGQF-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116065;MM116065;C=CCC(C=C)CF;PTKYHTQTCBLNGY-UHFFFAOYSA-N;114.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116066;MM116066;C=CC(CF)CC=O;LJWXMIWTFPLHNW-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116067;MM116067;CN=CNC(=O)C(N)=NC;GKJGXXWYLFTPFL-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116068;MM116068;CNC(C#N)CC#N;AOCBWWSDRSPABE-UHFFFAOYSA-N;109.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116069;MM116069;C=CCC(C=C)OC;FNWJCDVVRBFXMJ-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116070;MM116070;C=CC(CC=O)OC;KCXGTQGPGICXLG-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116071;MM116071;C=CC(CC)NC=N;UNXNCWJXWNSHFO-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116072;MM116072;CC(CCCC=NN)=NO;CNFHTDQKWCZJFD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116073;MM116073;CCC(C=O)NC=O;NYPGFAFZFQFQKY-UHFFFAOYSA-N;115.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116074;MM116074;C=CC(CN)NC=N;IJCRETIBQBOWKL-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116075;MM116075;C=CC(CO)NC=N;JRMQYERZTMPPAH-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116076;MM116076;NC=NC(C=O)CO;HHPBDIJGAWZYSJ-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116077;MM116077;N#CC(CO)NC=N;ATGOSMLUQLFWPR-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116078;MM116078;O=CNC(C=O)CO;OVCKJDJYSPLREM-UHFFFAOYSA-N;117.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116079;MM116079;N#CC(CO)NC=O;RXPDJKZLMWCFCL-UHFFFAOYSA-N;114.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116080;MM116080;N#CC(CF)NC=O;KTDZVJMYZUPWQN-UHFFFAOYSA-N;116.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116081;MM116081;C=CC(CC)NN=C;DSPUHSOJGBNXMD-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116082;MM116082;CC(C=CNCC=O)=NO;XMJHANAINCOLIR-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116083;MM116083;C#CC(=NO)N(N)CCO;XPTPGIAVSLDPGF-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116084;MM116084;C=CC(CN)NN=C;UTLGRQQICIDERZ-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116085;MM116085;C=CC1CN1C=CC=NO;SVSFJJKOTQLBCS-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116086;MM116086;C=CC12CC1C(=NO)NN2;KKVJEDXWENHETH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116087;MM116087;C=COC(C=C)CC;AYHTXWAQWNIRAL-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116088;MM116088;C=CC(CC)OC=O;KWJMFTFWBKCMPF-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116089;MM116089;C=COC(C=O)CC;RUXJZIUHYVONCX-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116090;MM116090;C=COC(C#N)CC;SNRWIFLETUQZGT-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116091;MM116091;CCC(C#N)OC=O;YJXDCNQPODKYER-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116092;MM116092;O=COC(C=O)CO;KOIBBIICWHHSJE-UHFFFAOYSA-N;118.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116093;MM116093;N#CC(CO)OC=O;CYBQXFRQLSVGAH-UHFFFAOYSA-N;115.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116094;MM116094;C=COC(C#N)CF;JPPRJPOZHZZPLI-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116095;MM116095;N#CC(CF)OC=O;HETMLNZXPBFSHM-UHFFFAOYSA-N;117.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116096;MM116096;C=CC(CC)ON=C;AFJCRWWKULJIMY-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116097;MM116097;CC(C=C(N)N)=NO;APFWZHPZEVFALZ-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116098;MM116098;C=NOC(C#N)CC;UGROYIHOHLWHAC-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116099;MM116099;NC=CC(=NO)NO;RPSQKMXEYGFQHF-UHFFFAOYSA-N;117.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116100;MM116100;CC(N)=CC(=NO)NO;YMYFZMOYOARJKP-UHFFFAOYSA-N;131.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116101;MM116101;CC1=C(C)C(=N)C(=O)N1;ZAHUZAYHAOQBBI-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116102;MM116102;C=COC(C=C)OC;JKZRZURTVWNBCB-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116103;MM116103;C=CC(OC)OC=O;QDFMYMAOLZSMIT-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116104;MM116104;C=CC(OC)ON=C;FPXLUBXTNQTVAA-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116105;MM116105;C=CCN(C=O)CC;MXSUPXUFGHLNEU-UHFFFAOYSA-N;113.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116106;MM116106;C=CCN(C=N)NC;FINILBKQBPERHA-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116107;MM116107;CNN(C=N)CC=O;GYHNBLAWTFYKSW-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116108;MM116108;C=CCN(C=O)NC;OFOJQNYLRGUEDD-UHFFFAOYSA-N;114.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116109;MM116109;CON(C=O)CC=O;RBPNYAHEUVZNMM-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116110;MM116110;CCN(C=N)NC=N;KQWMLSCOYSLTMS-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116111;MM116111;CCN(C=O)NC=O;YFIHQLJDCMMGOT-UHFFFAOYSA-N;116.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116112;MM116112;C#CCC(C=C)CC;JXSXRCLICGHXFW-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116113;MM116113;C#CCC(C=O)CC;STENNGFAKNMXCW-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116114;MM116114;C#CCC(C#N)CC;RFYDHWMSMKLMPD-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116115;MM116115;C#CCC(C=C)CN;ONEFVLRUQJNMFR-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116116;MM116116;C#CCC(C=C)CF;UMBMJOPNFUJRCA-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116117;MM116117;C#CCC(C=O)CF;QDMWXVFWKMRYSA-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116118;MM116118;C#CCC(C=C)OC;JGCQFOGLVQPAMD-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116119;MM116119;C#CCC(C#N)OC;SICGGBXFMGBUNS-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116120;MM116120;C#CCN(C=N)CC;IXLKJDYQAJVBDI-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116121;MM116121;C#CCN(C=O)CC;LFAQLVFLYACUAD-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116122;MM116122;C#CC(CC)CCC;DNSIHYQPQFYOJC-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116123;MM116123;C#CC(CC)CCN;SYPJQJZMGDLUNM-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116124;MM116124;N=C1CCN(N)C(=O)N1;VDVQLMMLURKRFW-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116125;MM116125;C#CC(CN)CCC;BWIUEWFYJUIGHF-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116126;MM116126;C#CC(CF)CCC;AWIYZGMOYSQKKU-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116127;MM116127;C#CC(CC)COC;LYYKEAURRRMSKY-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116128;MM116128;C#CC(CCC)NC;OBABMRYDFWLBEF-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116129;MM116129;C#CC(CCN)NC;NPYMILMKVKQYIF-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116130;MM116130;C#CC(CCO)NC;NFTPPZBGJJVOPY-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116131;MM116131;C#CC(CNC)NC;ZZSJEVIYPMLIMX-UHFFFAOYSA-N;112.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116132;MM116132;C#CC(CCC)OC;PAVNLHZBSGINSU-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116133;MM116133;C#CC(CCN)OC;TUKJFNSJNJUIID-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116134;MM116134;C#CC(CC)OCC;BTOSSWAMYZEWNK-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116135;MM116135;C#CC(OC)OCC;XVWLNZFJOZUDOZ-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116136;MM116136;C#CC(CC)CC=C;BGAZRQVTCSEGAQ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116137;MM116137;C#CC(CC)CC#N;HTUPQPXWWJQTQH-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116138;MM116138;C#CC(CF)CC=C;BVRZEFUWRRKYKH-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116139;MM116139;C#CC(CC=O)NC;RQQACBPJBWTDEO-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116140;MM116140;C#CC(CN)NC=N;UIUWMYMPFJLHDT-UHFFFAOYSA-N;111.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116141;MM116141;C#CC(CN)NC=O;MEBBRTQSPRSDLR-UHFFFAOYSA-N;112.13;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116142;MM116142;C#CC(CO)NC=N;AGNJZOUKNDGIRZ-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116143;MM116143;C#CC(CO)NC=O;BQDHCHHQCRXZBG-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116144;MM116144;C#CC(CN)NN=C;GRGYLTLRVFKVHI-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116145;MM116145;C#CC(CC)OC=C;BTGPTEFBVYXLFD-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116146;MM116146;C#CC(CC)OC=O;LQXCNDFTKSTTQU-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116147;MM116147;C#CC(CC)ON=C;GQAVKOLVQXOMPK-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116148;MM116148;CC1CN1C=CC=NO;QYQFHDGGDJMYCH-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116149;MM116149;C#CCC(C#C)CC;ZDJZLKGJIQQHBM-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116150;MM116150;N=C(NO)C(=O)NC(N)=O;OVPYKJNOHHROKO-UHFFFAOYSA-N;146.11;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116151;MM116151;C#CCC(C#C)CF;JPGMACSIZOEZCV-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116152;MM116152;C#CCC(C#C)OC;CSFKFEBXSSAUOU-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116153;MM116153;C=CC(C=C)CCC;CTKMVHNUVMUYCS-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116154;MM116154;CC(N)=CC(=NO)N(C)O;QVRSHJPAYWSUJQ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116155;MM116155;C=CC(C=O)CCC;KPGOUCFKROOYTQ-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116156;MM116156;C=CC(C#N)CCC;KBVDKMYIVHHRON-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116157;MM116157;C=CC(C=O)CCO;KMEMBXFHIOTQLI-UHFFFAOYSA-N;114.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116158;MM116158;C=CC(C#N)CCO;RBPLIQYDKIMKOQ-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116159;MM116159;C=CC(C=O)CCF;MOBDBGJXMMMXSZ-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116160;MM116160;C=CC(C#N)CCF;DRIPGCHVYKPEOT-UHFFFAOYSA-N;113.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116161;MM116161;N#CC(C=O)CCO;DXEGALOYKPTHRE-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116162;MM116162;N#CC(C#N)CCO;YWYWAWXXVSLFOW-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116163;MM116163;N#CC(C#N)CCF;NJWYQSMPVMEOES-UHFFFAOYSA-N;112.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116164;MM116164;CNCC(C#N)C#N;WDPGIQCVSLBQKP-UHFFFAOYSA-N;109.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116165;MM116165;C=CC(C=C)COC;VQZRTWOGXTXIRA-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116166;MM116166;C=CC(C#N)NCC;OAHUFVCMOMNVMF-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116167;MM116167;N=CNC(=O)NN=CCF;SUOOYXNCGWLFGJ-UHFFFAOYSA-N;146.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116168;MM116168;C=CC(C=C)OCC;FJPIFRWZMWRNCB-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116169;MM116169;C=CC(C#N)OCC;QMVANICBYDPVBO-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116170;MM116170;CCOC(C=O)C=O;NCHGZSINISCKJV-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116171;MM116171;C=CN(C=N)CCC;UZTDNYRVYHSAOW-UHFFFAOYSA-N;112.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116172;MM116172;C=CN(C=N)CCN;JLDAMHGOBKKIHO-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116173;MM116173;C=CN(C=O)CCC;ZTHQOLRLBINPRS-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116174;MM116174;C=CN(C=O)CCN;HWPKSNZSVPOYDP-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116175;MM116175;C=CN(C=O)CCF;YRWPRFTXHGIOMO-UHFFFAOYSA-N;117.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116176;MM116176;N=CN(C=N)CCN;MCLLTBCMRVGERR-UHFFFAOYSA-N;114.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116177;MM116177;N=CN(C=N)CCO;SXASUMPPLCVRMS-UHFFFAOYSA-N;115.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116178;MM116178;N=CN(C=O)CCN;SUIBPTYVYUCRNB-UHFFFAOYSA-N;115.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116179;MM116179;N=CN(C=O)CCF;NEEPOSFFCFNJJG-UHFFFAOYSA-N;118.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116180;MM116180;NCCN(C=O)C=O;PRSKAITVGVQSEU-UHFFFAOYSA-N;116.12;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116181;MM116181;O=CN(C=O)CCO;RZAWJPFKCHFPGX-UHFFFAOYSA-N;117.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116182;MM116182;C=NN(C=N)CCF;IFRYINFPGCJIFC-UHFFFAOYSA-N;117.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116183;MM116183;C=NN(C=O)CCN;HSLLTYFYQMYPCI-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116184;MM116184;C=CN(C=O)OCC;SIRDLHKUGNLDBF-UHFFFAOYSA-N;115.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116185;MM116185;C=CCC(C=C)C=C;FIIPESMJKUSQHR-UHFFFAOYSA-N;108.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116186;MM116186;C=CC(C=C)CC#N;WRXDEPBVFOAFLS-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116187;MM116187;C=CCC(C=C)C=O;XJCWQXXDUMISPY-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116188;MM116188;C=CCC(C#N)C=C;QRXYHULBKZQAHD-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116189;MM116189;C=CC(C#N)CC#N;QDAZIEAOLNUKKZ-UHFFFAOYSA-N;106.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116190;MM116190;CN(C=NO)C=NC=NN;WBSRAMIAJJRRIQ-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116191;MM116191;C=CC(C=O)NC=N;SJXBQIPXHHOJEJ-UHFFFAOYSA-N;112.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116192;MM116192;C=CC(C=O)NC=O;IOTDPRMDGRFVTQ-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116193;MM116193;N=CNC(C=O)C=O;XYKSHPXBYBCJAO-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116194;MM116194;N=c1nnc(=N)c(O)co1;JHBLOCHCTOIGTD-UHFFFAOYSA-N;140.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116195;MM116195;N#CC(C=O)NC=O;HEXPDFXUGVPCAY-UHFFFAOYSA-N;112.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116196;MM116196;N#CC(C#N)NC=O;CWXYRPVICSKSLX-UHFFFAOYSA-N;109.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116197;MM116197;CCC(=NC)NC(=O)NN;MSHHFZZGGXAHTJ-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116198;MM116198;C#CCN(C=N)C(C)=NO;SHWFQMQNVVBQGE-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116199;MM116199;C=COC(C=C)C=C;BNFXMNDCFBGIES-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116200;MM116200;C=COC(C#N)C=C;OLNMPDGRBKUJRM-UHFFFAOYSA-N;109.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116201;MM116201;C=CC(C#N)OC=O;UMFMHWCXQBESPJ-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116202;MM116202;C=CC(C=C)ON=C;VNUHGLUHJQSRAZ-UHFFFAOYSA-N;111.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116203;MM116203;C=CC(C)C(=NO)N(C)N;GKDOKFCIOURULA-UHFFFAOYSA-N;143.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116204;MM116204;C=CC(C#N)ON=C;OIANJXPJSAPZSS-UHFFFAOYSA-N;110.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116205;MM116205;C=CC(=NO)NNC=NO;BAMGYUQANBGMMJ-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116206;MM116206;C=CCN(C=C)C=N;NSGADUYWIHRVDX-UHFFFAOYSA-N;110.16;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116207;MM116207;C#CCC1=NNC(=N)C1C;HWTPPKWBKGDDBP-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116208;MM116208;N=CNN(C=N)C=N;RVALUPUBZOTZOC-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116209;MM116209;N=CNN(C=N)C=O;QDGKSBHKOCSSQQ-UHFFFAOYSA-N;114.11;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116210;MM116210;N=CN(C=O)NC=O;BDBXAXLXQOZUSG-UHFFFAOYSA-N;115.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116211;MM116211;C#CCC(C=C)C=O;VVPYARZBPXTPIK-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116212;MM116212;C#CCC(C#N)C=C;SPSXJWQLEGJXRC-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116213;MM116213;C#CCN(C=N)C=O;GHDPRUXTRGLCNK-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116214;MM116214;C#CCN(C=O)C=O;ZABMFRGBLKRTLH-UHFFFAOYSA-N;111.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116215;MM116215;C#CC(C=C)CCC;OOLDEDAKGLIVJC-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116216;MM116216;C#CC(C=C)CCN;JIJFWXMQGZCTQY-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116217;MM116217;C=CCCC=NNC=NO;POOVSULLDFGMHV-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116218;MM116218;C#CC(C=C)CCF;FDVVMZVHCADDEQ-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116219;MM116219;C#CC(C=C)COC;QSGACHBUCOVUQM-UHFFFAOYSA-N;110.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116220;MM116220;C#CC(C=C)OCC;HUMXZSQBEIGVLX-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116221;MM116221;C#CC(C#N)OCC;SBGQZTDYWVVKCO-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116222;MM116222;C#CC(C=C)CC=C;RJUQIWLMXXORAQ-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116223;MM116223;C#CC(C=C)CC=O;VZIYMHIIDPKMMA-UHFFFAOYSA-N;108.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116224;MM116224;C#CC(C=C)CC#N;HJOCJUCULNBTSD-UHFFFAOYSA-N;105.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116225;MM116225;C#CC(C#N)CC#N;ALTCZBWVAYQEDK-UHFFFAOYSA-N;104.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116226;MM116226;C#CC(C=C)NC=O;GGGKKBIKWXDNBH-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116227;MM116227;C#CC(C=O)NC=N;XYKONVRWHCCPJI-UHFFFAOYSA-N;110.12;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116228;MM116228;C#CC(C=O)NC=O;IOMQFRYTWBLTBW-UHFFFAOYSA-N;111.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116229;MM116229;C#CC(C#N)NC=O;QMSIXSCRXGZSEV-UHFFFAOYSA-N;108.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116230;MM116230;O=CC1C=CC(=NO)NC1;MDNCKLQNCLGVRT-UHFFFAOYSA-N;140.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116231;MM116231;C#CC(C=C)OC=C;ZTFUMLAHFUTGTB-UHFFFAOYSA-N;108.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116232;MM116232;C#CC(C=C)OC=O;YUZYEEAPSRHAIJ-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116233;MM116233;C#CC(C=O)OC=O;DGPZTPHUPLFXLM-UHFFFAOYSA-N;112.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116234;MM116234;C#CC(C=C)ON=C;VCFVPLFUWBYESR-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116235;MM116235;C#CC(=O)NNC;AILZEEZWBBBNTJ-UHFFFAOYSA-N;98.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116236;MM116236;C#CCC(C#C)C=C;UFIIHXCMVUXCOO-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116237;MM116237;C#CCC(C#C)C=O;JCWVDYCYSRQOTB-UHFFFAOYSA-N;106.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116238;MM116238;C#CC(C#C)CCC;GVUAAOKOFDXVJA-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116239;MM116239;C#CC(C#C)CCN;YQOQRPNEWFERBA-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116240;MM116240;C#CC(C#C)CCO;VSHGAKXLAGVFQY-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116241;MM116241;C#CC(C#C)CCF;LFFXJXGHSSALOF-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116242;MM116242;C#CC(C#C)CC=C;NOVWKNNTNAJICL-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116243;MM116243;C#CC(C#C)NC=N;MBRVEHSILCOZSA-UHFFFAOYSA-N;106.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116244;MM116244;CN=C1CN(C)C(=O)N1;XSGASFHLEUYYFC-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116245;MM116245;CCC(C=CF)CC;SYLSCNAJQRTYTK-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116246;MM116246;CC=CC(CC)CN;JAMRFOZXXQROCY-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116247;MM116247;CCC(C=CF)CN;ZSRBJQCFMIYFQH-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116248;MM116248;CN=C(C)NC(=O)N(C)N;DNIUSPCIQZHWSG-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116249;MM116249;CCC(C=CF)CO;PTWHJCORTBPSIE-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116250;MM116250;CC=CC(CC)CF;YRIXWWRXBHVMDO-UHFFFAOYSA-N;116.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116251;MM116251;CC=CC(CN)CF;XJEHJGWXVBIGID-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116252;MM116252;CC=CC(CO)CO;YIIKFFXRIRZMOZ-UHFFFAOYSA-N;116.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116253;MM116253;OCC(C=CF)CO;QAFHBMAELUMHHY-UHFFFAOYSA-N;120.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116254;MM116254;CC=CC(CF)CF;CDJZHNADIXRGLP-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116255;MM116255;FC=CC(CF)CF;YULVWPMPPHMZLK-UHFFFAOYSA-N;124.11;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116256;MM116256;CCC(C=NN)CC;PMKWBIMYSGQEEC-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116257;MM116257;CCC(C=NO)CC;FQRMVGKAQSXDPC-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116258;MM116258;CCC(C=NO)CN;TWDUOVLMNDROLO-UHFFFAOYSA-N;116.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116259;MM116259;CCC(C=NN)CF;OHSDREZYZWIAEA-UHFFFAOYSA-N;118.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116260;MM116260;NCC(C=NO)CO;LIUFWJDJFSXWNC-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116261;MM116261;CC(C)N=CN(N)C=NO;LOCWJJMMKFACJH-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116262;MM116262;OCC(C=NO)CO;FTCIRVPATUOPKA-UHFFFAOYSA-N;119.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116263;MM116263;OCC(C=NO)CF;SVOFBTUOXCMWIX-UHFFFAOYSA-N;121.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116264;MM116264;CC=CC(CC)NC;AXJLCWHSDYJGHH-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116265;MM116265;CCC(C=CF)NC;YZPSUOJERDQBDP-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116266;MM116266;CC=CC(CC)OC;DOMBBEHJVXKOID-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116267;MM116267;CCC(C=CF)OC;CJNRFNIIZFSIDC-UHFFFAOYSA-N;118.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116268;MM116268;COC(C=CF)CN;MMVZNEAZIYMTRS-UHFFFAOYSA-N;119.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116269;MM116269;CN=C(C)NC(=O)NNC;HSSOXLHCRNWJHS-UHFFFAOYSA-N;144.18;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116270;MM116270;COC(C=NN)CF;SVHFBCGECLNZDA-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116271;MM116271;CC=CC(OC)OC;NOYRGONWBIVLEL-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116272;MM116272;CCN(C=NC)CC;PPIGIWCTZQUVLD-UHFFFAOYSA-N;114.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116273;MM116273;CCCN=CN(N)C=NO;VEJNHMCBXQADEC-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116274;MM116274;C=CC(C=CC)CC;AGZNHDUBGPTFIN-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116275;MM116275;C=CC(C=CF)CC;PIROWDLUERHJGC-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116276;MM116276;CC=CC(C=O)CC;UXOBKIFVDZOKBK-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116277;MM116277;CC=CC(C#N)CC;LHQDJIMAJJRWFW-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116278;MM116278;CCC(C=O)C=CF;BKJREXZRMXMKLA-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116279;MM116279;CCC(C#N)C=CF;NGOZGHOGCACHMM-UHFFFAOYSA-N;113.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116280;MM116280;C=CC(C=CC)CN;VWPHQSKGQXNQOO-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116281;MM116281;C=CC(C=CF)CO;ALLQRMDFNNQHJV-UHFFFAOYSA-N;116.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116282;MM116282;C=CC(C=CF)CF;WZBBBTRNBQIHPB-UHFFFAOYSA-N;118.13;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116283;MM116283;CC=CC(C=O)CF;PDBHKFCOKWICMF-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116284;MM116284;C=CC(C=NN)CC;RTBONOSWMBVCAD-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116285;MM116285;C=CC(C=NO)CN;GKZVEOFCDRJTTO-UHFFFAOYSA-N;114.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116286;MM116286;O=CC(C=NO)CO;KSHXXIKDHLVGSW-UHFFFAOYSA-N;117.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116287;MM116287;C=CC(C=NN)CF;HJEQCOSKPJXWBT-UHFFFAOYSA-N;116.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116288;MM116288;C=CC(C=NO)CF;WZBAFLHYLUPNNO-UHFFFAOYSA-N;117.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116289;MM116289;CC=CC(C#N)NC;AOTCVKRNODNHLD-UHFFFAOYSA-N;110.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116290;MM116290;C=CC(C=CC)OC;UPFYSOWESATVQO-UHFFFAOYSA-N;112.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116291;MM116291;CC=CN(C=N)CC;SAUDEPBPOPTXSL-UHFFFAOYSA-N;112.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116292;MM116292;CCN(C=N)C=CF;MQRLVNFHDHLIGC-UHFFFAOYSA-N;116.14;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116293;MM116293;CC=CN(C=O)CC;NZHJVOCJOHJLMN-UHFFFAOYSA-N;113.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116294;MM116294;C=CN(C=NC)CC;QMBQNBQDZYNTHD-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116295;MM116295;CCN(C=N)C=NN;RFITZYNBYLVCDP-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116296;MM116296;CNNC(=O)C#CCCF;PDLLFGKIACDMRM-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116297;MM116297;C=NN(C=NC)CC;XGNNJQGOMKRGEG-UHFFFAOYSA-N;113.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116298;MM116298;CNN(C=O)C=CF;SBMYFKYAEUWCOH-UHFFFAOYSA-N;118.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116299;MM116299;C=CN(C=NC)NC;XDGXSIUJSMHNGB-UHFFFAOYSA-N;113.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116300;MM116300;CN=CN(C=O)NC;DWACWJUWXVPICM-UHFFFAOYSA-N;115.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116301;MM116301;NNC(=NO)NC(=O)CF;JHJUCMKCUITKTE-UHFFFAOYSA-N;150.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116302;MM116302;CNN(C=O)C=NO;DATJPUVRBJEYHW-UHFFFAOYSA-N;117.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116303;MM116303;CC=CN(C=N)OC;MZDQPFVBCZDNNW-UHFFFAOYSA-N;114.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116304;MM116304;CON(C=O)C=NN;GPEVWBMOGFUFRK-UHFFFAOYSA-N;117.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116305;MM116305;CON(C=O)C=NO;DSYPHAGOLHZOMI-UHFFFAOYSA-N;118.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116306;MM116306;C#CC(C=CC)CC;KZNQBJNKPXNGCS-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116307;MM116307;C#CC(C=CF)CC;PEBPHVFITYMFCC-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116308;MM116308;C#CC(C=CC)CF;AHWCAAZQLNXWJI-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116309;MM116309;C#CC(C=CF)CF;KXYDNNTWQWMJAL-UHFFFAOYSA-N;116.11;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116310;MM116310;C#CC(C=CC)OC;ULUDBGJBOZNVSI-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116311;MM116311;C=CC(C=C)C=CC;JMFBPICQEUDYQP-UHFFFAOYSA-N;108.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116312;MM116312;C=CC(C=C)C=CF;NBGQBMZKBOXFRH-UHFFFAOYSA-N;112.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116313;MM116313;C=CC(C=O)C=CC;NLHGVJQHTJNOIJ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116314;MM116314;C=CC(C=O)C=CF;XBXONOLDLKWCCW-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116315;MM116315;C=CC(C#N)C=CF;YAKNJTRICQMZTL-UHFFFAOYSA-N;111.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116316;MM116316;CC=CC(C=O)C=O;GOMNEUONPYRHJJ-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116317;MM116317;CC=CC(C#N)C#N;JPZSPLLXMCDSED-UHFFFAOYSA-N;106.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116318;MM116318;N#CC(C#N)C=CF;KBGGWDSMIQSBFM-UHFFFAOYSA-N;110.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116319;MM116319;C=CC(C=C)C=NN;ZYLYJORSSHXUIV-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116320;MM116320;C=CC(C=C)C=NO;QTBIYYGCWJVSNS-UHFFFAOYSA-N;111.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116321;MM116321;C=CN(C=N)C=CF;XQMHQAHSSCVGGD-UHFFFAOYSA-N;114.12;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116322;MM116322;C=CN(C=O)C=CC;QHSSFGHSXHUUMU-UHFFFAOYSA-N;111.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116323;MM116323;N=CN(C=O)C=CF;CLSSRTBGBMDYJG-UHFFFAOYSA-N;116.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116324;MM116324;O=CN(C=O)C=CF;DSHQLHKJCNOAIQ-UHFFFAOYSA-N;117.08;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116325;MM116325;C=CN(C=C)C=NC;RJXOJOLLWWCXHB-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116326;MM116326;CC(=NO)C(=N)NCC#N;HGGPCFDIAMAAFV-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116327;MM116327;C=CN(C=O)C=NO;XYOPILYBCBIBEH-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116328;MM116328;CN=CN(C=N)C=O;MMPDRJKDACMAHU-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116329;MM116329;C=NN(CCC)C(C)=NO;YVEUOGQPYSSPOW-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116330;MM116330;N=CN(C=O)C=NO;IYCQWRLHAMVJJL-UHFFFAOYSA-N;115.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116331;MM116331;CN=CN(C=O)C=O;CDSMYLPZQZKDAC-UHFFFAOYSA-N;114.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116332;MM116332;NN=CN(C=O)C=O;YKKHVJJGLGQWSK-UHFFFAOYSA-N;115.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116333;MM116333;O=CN(C=O)C=NO;PKANNGPZELBFEB-UHFFFAOYSA-N;116.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116334;MM116334;C=CN(C=NC)N=C;LWPZCLSOQXPWQN-UHFFFAOYSA-N;111.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116335;MM116335;NN=C(C=NO)NCCO;ZTWNIILTWLWXLF-UHFFFAOYSA-N;146.15;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116336;MM116336;CC(=NO)N(C=N)N(C)C;LISKDQABCFSVHY-UHFFFAOYSA-N;144.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116337;MM116337;C=NN(C=O)C=NO;IATXWXRDTFPFQS-UHFFFAOYSA-N;115.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116338;MM116338;C#CC(C=C)C=CC;HEAWAVDDRHUTCW-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116339;MM116339;C#CC(C=C)C=CF;BMTKXCXUMCSLGW-UHFFFAOYSA-N;110.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116340;MM116340;C#CC(C#N)C=CF;CKNGFIOCLACMFX-UHFFFAOYSA-N;109.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116341;MM116341;C#CC(C=C)C=NN;XOTYDZHIMHYATC-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116342;MM116342;C#CC(C#C)C=CC;WYESXZGDSBUVKJ-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116343;MM116343;C#CC(C#C)C=CF;OBRRBJMWXJXCHB-UHFFFAOYSA-N;108.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116344;MM116344;C#CC(C#C)C=NN;MFVVQROEXICYAW-UHFFFAOYSA-N;106.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116345;MM116345;CC#CC(CC)CC;OCQHXHXKUGGCHJ-UHFFFAOYSA-N;110.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116346;MM116346;C=NNC1=NC=C(CO)C1;GKKZRVACZNMNKK-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116347;MM116347;CC#CC(CC)CF;LRXWAJIGKUPJQD-UHFFFAOYSA-N;114.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116348;MM116348;CC#CC(CN)CF;DZAUDFHMXGLGOC-UHFFFAOYSA-N;115.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116349;MM116349;CC#CC(CF)CF;SLKNHDMZETUGFF-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116350;MM116350;CC#CC(CN)NC;ZWZWKMKQVPJCQT-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116351;MM116351;CC#CC(CC)OC;DKHWPNNOBQFKTC-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116352;MM116352;CC#CC(C=O)CC;WWIRVAGJCBAZFW-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116353;MM116353;C=CC(C#CC)CN;ICPBCLDXLOUXPQ-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116354;MM116354;N#CC1=CCC(NC=O)=N1;NDTWVJYYOOWZRP-UHFFFAOYSA-N;135.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116355;MM116355;C=CC(C#CC)CF;FDGVVNBZBYTGTD-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116356;MM116356;CC#CC(C#N)CF;NNPSIUATZKACGF-UHFFFAOYSA-N;111.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116357;MM116357;C=CC(C#CC)OC;SKSJAZAXSFIERC-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116358;MM116358;CC#CC(C=O)OC;ABZOKJSKLUJLHZ-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116359;MM116359;C#CC(C#CC)CO;DMQVZSKISXOJQS-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116360;MM116360;C#CC(C#CC)CF;SKGDENGEDPRHBF-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116361;MM116361;C#CC(C#CC)OC;ZSNHIDVJRIHLHQ-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116362;MM116362;CC#CC(C#N)C=O;BNWAVUAXOJIKKP-UHFFFAOYSA-N;107.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116363;MM116363;CC=C(CC)CCC;QEMJIDSLEPYRLM-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116364;MM116364;CC=C(CC)CCN;XHROTKBAFNIASD-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116365;MM116365;N#CCCCNNC=NO;FSLWJAOKHDNWHW-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116366;MM116366;CC=C(CC)CCF;KWLMDCICZOPLNQ-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116367;MM116367;CCCC(=CF)CC;AXUFYGHXMWSOHM-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116368;MM116368;CCC(=CF)CCO;OVUKIPPRXXQWFP-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116369;MM116369;CCC(=CF)CCF;PGBWKQNXXUFONH-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116370;MM116370;CC=C(CN)CCC;RRLMOFVRHUQHIS-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116371;MM116371;CC=C(CN)CCN;OEDRFMUZNRXVBI-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116372;MM116372;CC=C(CN)CCF;HTZNEXKGJUVBPX-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116373;MM116373;CCCC(=CF)CN;MBTSHZKMSBYPPJ-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116374;MM116374;NCCC(=CF)CN;WKVWAHWERWOCOF-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116375;MM116375;CC(C)(C)CC=NO;RZNYLTPLRITIFV-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116376;MM116376;CC=C(CO)CCF;QGFHBBMTNVLADA-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116377;MM116377;CC=C(CF)CCF;GTZIKCPXADFPQW-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116378;MM116378;CCCC(=CF)CF;VFSAQTNFEVPWRY-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116379;MM116379;FC=C(CF)CCF;PXBLTEYMZSTHOD-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116380;MM116380;CC=C(CC)CNC;VTFMTVAHRKPXPP-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116381;MM116381;CNCC(=CF)CN;HEOYETLBSRMGAX-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116382;MM116382;CC=C(CC)COC;ZRWUEXLNPKKMCN-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116383;MM116383;CC=C(CF)COC;FIACCBKKNBIHNF-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116384;MM116384;CCCC(CC)=NN;BGWPWBLTANXIDA-UHFFFAOYSA-N;114.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116385;MM116385;CN=C(C)NC(=O)NN;FRLUTVDAUQLYCJ-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116386;MM116386;CCCC(CC)=NO;ZFMQDENUBDQUNW-UHFFFAOYSA-N;115.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116387;MM116387;CCC(CCN)=NO;YHMYLSFREUVVEX-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116388;MM116388;CCC(CCF)=NO;WENCGQNVWYCRCB-UHFFFAOYSA-N;119.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116389;MM116389;CCNc1cnc(O)[nH]1;YBKIUTJDSQQBEN-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116390;MM116390;CCCC(CF)=NN;SVVKDZUZVGIQIC-UHFFFAOYSA-N;118.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116391;MM116391;N=CNC(=O)C#CC(N)=O;BXPGNXVLYACOKU-UHFFFAOYSA-N;139.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116392;MM116392;Nn1cnc(=NO)[nH]c1=O;CHFWENIYMPWWAW-UHFFFAOYSA-N;143.11;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116393;MM116393;CCCC(=NC)NC;CIVWZPDBRGONRZ-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116394;MM116394;CN=C(CCN)NC;NUUVKLYCSYHVAQ-UHFFFAOYSA-N;115.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116395;MM116395;CN=C(CCF)NC;ICRCHOHCBSGYPF-UHFFFAOYSA-N;118.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116396;MM116396;C=CC(=O)NC(=O)NC=N;CFPSDAYLTJNCFN-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116397;MM116397;CN=C(CCO)NO;XWGLPKZAMKDLHR-UHFFFAOYSA-N;118.14;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116398;MM116398;OCCC(=NO)NO;BQWVAKKBMLNSNF-UHFFFAOYSA-N;120.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116399;MM116399;ON=C(CCF)NO;BQMAGPXKWRFBFH-UHFFFAOYSA-N;122.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116400;MM116400;CN=C(CNC)NC;GQWLHKUYCOQIRO-UHFFFAOYSA-N;115.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116401;MM116401;CNCC(=NN)NC;NLVNXSSYTKQFJM-UHFFFAOYSA-N;116.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116402;MM116402;CC=C(CCC)OC;PPSGQPFQMOEOKU-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116403;MM116403;CC=C(CCN)OC;GMDZAYKDYLXNEU-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116404;MM116404;CC=C(CCO)OC;UWEBNMZQQIUQMU-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116405;MM116405;CC=C(CCF)OC;HNHMZWJMBPBUKI-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116406;MM116406;COC(=CF)CCO;NHECNUKHSKWJRJ-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116407;MM116407;CC=C(CNC)OC;VQBPESJRDGJANP-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116408;MM116408;CC=C(COC)OC;YSRPMGVIJKCMNJ-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116409;MM116409;COCC(=CF)OC;UHGWFQYZTSUJLN-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116410;MM116410;CC=C(F)CN(N)C=NO;GKGSOCQNJKEPAJ-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116411;MM116411;COC(CCO)=NO;CBFQKLOWMHTMEO-UHFFFAOYSA-N;119.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116412;MM116412;CCN=C(CC)NC;PAAIOAFHPNCYGR-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116413;MM116413;CCN=C(CC)NN;CUUBJCXLVSITGA-UHFFFAOYSA-N;115.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116414;MM116414;CCN=C(CO)NN;FPZLVVBATCTFNX-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116415;MM116415;CNN=C(CO)NC;GAVNCOOWFWQALZ-UHFFFAOYSA-N;117.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116416;MM116416;CCN=C(C)NC(=O)NN;OIQBYPZWHSGODH-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116417;MM116417;C=C1CN(C)CC1(O)C#N;HJVSOBRCZDPUKR-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116418;MM116418;CC=NN(C)C(=O)NC=N;XMAYJXDPCYCGMA-UHFFFAOYSA-N;142.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116419;MM116419;CC1=CC(CC#N)=NC1=N;KXIDUHNPTDBMBH-UHFFFAOYSA-N;133.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116420;MM116420;CC1(CO)CC(=NO)NN1;XMCVHJXUOZPFJB-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116421;MM116421;CCNC(=NN)NC;RALYHBWEXOEWSN-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116422;MM116422;CCNC(=NC)NN;RALYHBWEXOEWSN-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116423;MM116423;CN=C(NN)ONC(N)=O;IYYCMIDJMVJQPR-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116424;MM116424;C=CC(=NO)N(C=N)C=N;TWQHCKZLDMQPTD-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116425;MM116425;CCNC(=NC)OC;BOPFSPJNJRUBIZ-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116426;MM116426;C#CC(C#C)NNC=NO;YSCZQIZDDXNKJH-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116427;MM116427;CC=C(CC)OCC;OVZXBXLDPIOKIR-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116428;MM116428;CC=C(CN)OCC;JFPFRJHDBHKZCC-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116429;MM116429;CC=C(CO)OCC;XDGMTKBMJFUAOS-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116430;MM116430;CCOC(=CF)CO;DDNHTVNUDJRQIN-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116431;MM116431;CC=C(CF)OCC;TYAUYFUYZVEZIG-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116432;MM116432;OCCONC(=NO)NO;BVHDYANJQYIDJM-UHFFFAOYSA-N;151.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116433;MM116433;CC(ON=CC#N)C1CN1;HHKUBMVRWATTNS-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116434;MM116434;CC1(C)NC(=O)NC1=N;IZDSJCOLCBXROQ-UHFFFAOYSA-N;127.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116435;MM116435;CCOC(=NC)NC;RJNSBYNADUCKOT-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116436;MM116436;CCC(C)(C)CC=NO;DGBVKHCAPQBMCF-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116437;MM116437;CCOC(=NO)NO;IUWZWDPIUYHXDY-UHFFFAOYSA-N;120.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116438;MM116438;C=CCC(=CC)CC;BOCMEYDNTRRDGN-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116439;MM116439;CC=C(CC)CC=O;FKHBAUMRWBSBBI-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116440;MM116440;CC=C(CC)CC#N;XUZIHNXJTXGMKI-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116441;MM116441;C=CCC(=CF)CC;GVZUNKAAIGPJOK-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116442;MM116442;CCC(=CF)CC#N;CTBCPLDWZKOLPU-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116443;MM116443;C=CCC(=CC)CN;BBPRCGPDWFKZQS-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116444;MM116444;C=C(C=O)CC(N)=NO;CZSNDZILTGHTAX-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116445;MM116445;C=CCC(=CC)CF;XBHZNCZYVAPKQH-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116446;MM116446;CC=C(CF)CC#N;QRXWTLKAKNCQEF-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116447;MM116447;C=CCC(=CF)CF;PIUJDKHCFQACMR-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116448;MM116448;N#CCC(=CF)CF;VDXVGPQGSANQEK-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116449;MM116449;C=CCC(CC)=NN;OKSFZIDJKDHENJ-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116450;MM116450;C=CCC(CC)=NO;XMUFKTGEMVXOFV-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116451;MM116451;Cc1n[nH]c(C)c1O;CTXUDADWQSSNSC-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116452;MM116452;C=CCC(=NC)NC;WZMAZKHBMXYJIK-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116453;MM116453;O=CCC(=NO)NO;NKBIYNLZABLRCV-UHFFFAOYSA-N;118.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116454;MM116454;C=CCC(=CC)OC;YMIPGIVGQHRVQQ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116455;MM116455;CC=C(CC#N)OC;DPHUYTCXZZGPJB-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116456;MM116456;C=CCC(=CF)OC;IFUUXGHRRCVOHI-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116457;MM116457;COC(=CF)CC#N;CRUSUAGSDCCHNT-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116458;MM116458;CNNC(=O)NOC=O;QHXVSDICMJRWQJ-UHFFFAOYSA-N;133.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116459;MM116459;C=CCC(=NO)OC;XULBMDFDONDQFO-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116460;MM116460;CC=C(CC)NC=N;WPJUBTVSBHPBLD-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116461;MM116461;CC=C(CC)NC=O;ZVMYMMXMJBFTKB-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116462;MM116462;CCC(=CF)NC=N;RRHUCNDJEBMKRF-UHFFFAOYSA-N;116.14;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116463;MM116463;CC=C(CN)NC=O;SRMKLVWUNAMSDP-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116464;MM116464;NCC(=CF)NC=O;CZYNXKWBOUFBJU-UHFFFAOYSA-N;118.11;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116465;MM116465;N=CNC(=CF)CO;JJQDULGDLUNRTP-UHFFFAOYSA-N;118.11;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116466;MM116466;C=CN=C(CC)NC;AVKARGMCNZKQAO-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116467;MM116467;CC(C)C(C=NO)=CN;QVDLSNSTDFJWBK-UHFFFAOYSA-N;128.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116468;MM116468;CCC(=NN)NC=O;DIRCEVVTIKYPBA-UHFFFAOYSA-N;115.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116469;MM116469;CN=C(CO)NC=O;MCSVTCJQZNWUJQ-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116470;MM116470;NN=C(CO)NC=O;QXQUSHUADHDVOI-UHFFFAOYSA-N;117.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116471;MM116471;O=CNC(CO)=NO;DREZQYONTWSYGN-UHFFFAOYSA-N;118.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116472;MM116472;CN=C(CF)NC=O;AFXCIBJEIVBKNW-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116473;MM116473;NN=C(CF)NC=O;YOZDCGVITFKQML-UHFFFAOYSA-N;119.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116474;MM116474;CC1C(=N)NC(=O)N1C;TXRDOADGXUMGNX-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116475;MM116475;C=CCC1=NNC(=N)C1;WOXHIUUGNGYTQX-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116476;MM116476;CN=C(NC=O)OC;ZVFBSLWTUFBOCQ-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116477;MM116477;COC(=NN)NC=O;VDXPVBUAENPQLZ-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116478;MM116478;C=COC(=CC)CC;KBTLWXIFXIEQFJ-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116479;MM116479;CCC(=CF)OC=O;MIXFEFHJKIXCRM-UHFFFAOYSA-N;118.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116480;MM116480;NCC(=CF)OC=O;AGGQVPGSFFNRAD-UHFFFAOYSA-N;119.1;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116481;MM116481;C=COC(=CC)CF;HZDKHGOBBMORKO-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116482;MM116482;CC(=O)C#CC(=O)NC=N;HVSPMHANCMHFHP-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116483;MM116483;C=COC(CC)=NO;GIDXAWOGXOGHJY-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116484;MM116484;NN=C(CO)OC=O;QTNZKEQRVIUIMC-UHFFFAOYSA-N;118.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116485;MM116485;CNn1nc(O)ccc1=O;XOKKJWCUVGNABO-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116486;MM116486;NN=c1nc(O)on1N;ARCPZKVPNMNTEB-UHFFFAOYSA-N;131.1;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116487;MM116487;N=C(CCO)NC(=O)CO;ALFMVGCNGXXLHH-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116488;MM116488;O=CC1=CC(=O)OC1;ZHAHEGUMNQUMDD-UHFFFAOYSA-N;112.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116489;MM116489;CCC(=N)NC(=O)NNC;GJIOBEACFKKACJ-UHFFFAOYSA-N;144.18;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116490;MM116490;C#CCC(=CC)CC;MVDPYEBAQUREHW-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116491;MM116491;C#CCC(=CF)CC;FHAHWAMQXLYWBH-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116492;MM116492;C#CCC(=CC)CN;WGFXHUSAFHHBKH-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116493;MM116493;C#CCC(=CF)CN;UYWHMBPAIFFRBE-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116494;MM116494;C#CCC(=CC)CO;AAUADCHPPHZUKZ-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116495;MM116495;C#CCC(=CC)CF;SCIQDBYJEPANGX-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116496;MM116496;C#CCC(=CF)CF;YPGSDVFNALFXLI-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116497;MM116497;C#CCC(CC)=NN;AQNZQSASCJLJCH-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116498;MM116498;C#CCC(CC)=NO;CTQAWPOTTCZKPM-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116499;MM116499;C#CCC(CF)=NN;DCGIMZPDVMSFSS-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116500;MM116500;Cn1ccc(=O)c(=O)n1O;ZNCWUHABSNAKGF-UHFFFAOYSA-N;142.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116501;MM116501;C#CCC(=CC)OC;GRXGHZGLBCRVNF-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116502;MM116502;C#CCC(=CF)OC;CSHLEKIDBXEUPE-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116503;MM116503;CN=C(C)NC(=O)C=NN;NKHKQJMSDMEVPQ-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116504;MM116504;C=CC(=CC)CCC;CTNXNQQXFSVMIY-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116505;MM116505;C=CC(=CC)CCN;FKVJZTYDNWFWPZ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116506;MM116506;CC(=O)NC(=O)C(=N)NO;WRIBZQYHCYHRPM-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116507;MM116507;C=CC(=CC)CCF;BDLPBTRANJAMCH-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116508;MM116508;C=CC(=CF)CCC;VLJDNXBYIOQGDK-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116509;MM116509;C=CC(=CF)CCO;ABAYQQDSAPDTPP-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116510;MM116510;CC=C(C=O)CCC;VXAFNNWDRBOSSJ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116511;MM116511;CC=C(C#N)CCC;AOBOBFYQBGAUKH-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116512;MM116512;CC=C(C=O)CCF;USGRHZGITVSYJM-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116513;MM116513;CC=C(C#N)CCF;JZWZCPHIZLEQQS-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116514;MM116514;CCCC(C#N)=CN;XWBLAJJRUXCGEA-UHFFFAOYSA-N;110.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116515;MM116515;NC=C(C=O)CCO;IGNJQPGOCNBMIO-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116516;MM116516;CN(C)CC(=NN)NC=O;ZWONRDLHUFJJHC-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116517;MM116517;CCCC(C=O)=CF;JPFMIWKMKZJEJA-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116518;MM116518;CCCC(C#N)=CF;KPZLTFFJGSZJMH-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116519;MM116519;N#CC(=CF)CCF;LKQAQWMMFRTWTP-UHFFFAOYSA-N;117.1;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116520;MM116520;CNCC(C=O)=CN;ZDCZCMFYVNYFNV-UHFFFAOYSA-N;114.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116521;MM116521;CNCC(C=O)=CF;PBVCMECAICYRLC-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116522;MM116522;C=CC(=CC)COC;MYBGOJXRXPLQFA-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116523;MM116523;C=CC(=CF)COC;SLNNFOGDGSBHCT-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116524;MM116524;C=CC(CCC)=NN;WPIXLYMGUXFFID-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116525;MM116525;N=CNC(=O)N(N)C=NN;MOSOYELJQIWZBH-UHFFFAOYSA-N;144.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116526;MM116526;C=CC(CCF)=NO;ZMWGRQSUDYQGMA-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116527;MM116527;O=c1[nH]c(F)cn1O;DVFVGKQEAXYTAG-UHFFFAOYSA-N;118.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116528;MM116528;C=CC(=NCC)NC;ADNJRYVLLDRPBD-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116529;MM116529;C=CC(=NCC)NN;RSDZAKFLCMAQFN-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116530;MM116530;C=CC(=NCC)NO;MZABPLMKYIEDSS-UHFFFAOYSA-N;114.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116531;MM116531;C=CC(=NNC)NC;MILOMUOPJUCZBL-UHFFFAOYSA-N;113.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116532;MM116532;CC(=N)N(N)C(=O)NC=N;CZUYOKKKGALCEC-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116533;MM116533;CNN=C(C#N)NO;XVXLBYSSDHSWED-UHFFFAOYSA-N;114.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116534;MM116534;C=CC(=CC)OCC;ZGNCPWAGDPPZSU-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116535;MM116535;CC=C(C#N)OCC;HPHUOJKREZFAPP-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116536;MM116536;CCOC(C=O)=CF;RJILGEWUWWMGQL-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116537;MM116537;CCOC(C#N)=CF;BHDONIARMURGQO-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116538;MM116538;C=CC(=C)CC(C=C)=NO;VZESOVFPTWCICX-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116539;MM116539;C=CC(=NO)OCC;UMZKSPWTHPMVFB-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116540;MM116540;C=CCC(C=C)=CC;SKRAXGVWRNVSIJ-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116541;MM116541;C=CC(=CC)CC#N;BRWXKVSUYCXBND-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116542;MM116542;C=CC(=CF)CC=O;IGPSMQDTVVWBQC-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116543;MM116543;C=CC(=CF)CC#N;YBTILJRGOYQNSY-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116544;MM116544;C=CCC(C=O)=CC;HRJXVOZIBXOQQF-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116545;MM116545;C=CCC(C#N)=CC;OCNADNMOIRTLBR-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116546;MM116546;CC=C(C=O)CC=O;ZODFGAZYHKHWRP-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116547;MM116547;CC=C(C#N)CC=O;BIJPJMJEAMWABM-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116548;MM116548;C=CCC(C#N)=CF;VGFRBOGWLYIENP-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116549;MM116549;C=CCC(C=C)=NN;JKGLTVSLBXYLFZ-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116550;MM116550;O=CC1(F)CC1NC=NO;ALEZQGSKOLLDAT-UHFFFAOYSA-N;146.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116551;MM116551;Cc1c(O)[nH]c(=O)n1O;BJDYCBMMVQYQFG-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116552;MM116552;C=CC(=CC)NC=N;IXDMEPUOWPSWQE-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116553;MM116553;C=CC(=CC)NC=O;LUGLOGXAUNFCFM-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116554;MM116554;C=CC(=CF)NC=O;QKXLIBRUJXUFGA-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116555;MM116555;CC=C(C=O)NC=O;DCVCTCBHDLKQDJ-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116556;MM116556;N#CC(=CN)NC=N;FWXHEKQXDAJGOV-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116557;MM116557;C=CC(=NN)NC=O;NPYANTYSNANQEO-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116558;MM116558;C=CC(=NO)NC=O;PXALUPSRMPYPDR-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116559;MM116559;CC1(CON=CC#N)CN1;ZGSLSJWHEHXGHA-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116560;MM116560;C=NNC(C=O)=NO;AYIIFJCZFYNIIL-UHFFFAOYSA-N;115.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116561;MM116561;C=COC(C=C)=CC;WNLUZDWBUMYGKX-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116562;MM116562;C=COC(C=C)=CF;RKWFCEKDDWUJJH-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116563;MM116563;C=COC(C#N)=CC;MOKACFMIUWVIGJ-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116564;MM116564;C=CC(C=CC)=CC=NO;LPAZZXIWJVWSDD-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116565;MM116565;C=COC(C=C)=NO;YQZVGQCLSXQCII-UHFFFAOYSA-N;113.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116566;MM116566;NC(=O)NNC(=O)C(F)F;WTANKNXRMGXFGS-UHFFFAOYSA-N;153.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116567;MM116567;CC=Cc1nc(=O)o[nH]1;AJRWWDJBABMLCH-UHFFFAOYSA-N;126.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116568;MM116568;C=CC(=NO)ON=C;IWEIWPGRFVAFBJ-UHFFFAOYSA-N;114.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116569;MM116569;Oc1coc(F)c1;WKPYHQWUYVKFBZ-UHFFFAOYSA-N;102.06;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116570;MM116570;Nc1c(O)n(O)n(O)c1=O;SGJVZELHXKUIQW-UHFFFAOYSA-N;147.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116571;MM116571;C#CCC(C=C)=CC;BMMSQPDPLWUNJF-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116572;MM116572;C#CCC(C=C)=CF;LGRUMENYHALVIT-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116573;MM116573;C#CCC(C=O)=CC;SSWXRUKHHCWJSC-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116574;MM116574;C#CCC(C#N)=CC;LWSJSWFTZCLYKZ-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116575;MM116575;N#CCC(=NO)C(=O)NO;FEDJHYAVSJTPMM-UHFFFAOYSA-N;143.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116576;MM116576;C#CC(=CC)CCC;FGTSOMGTJOMQHI-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116577;MM116577;C#CC(=CC)CCN;ORXKIRARUIJSKR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116578;MM116578;C#CC(=CC)CCF;QFGDLZSIUGXXOM-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116579;MM116579;C#CC(=CF)CCC;OFOFROSOGBQIBY-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116580;MM116580;C#CC(=CF)CCN;YPNAFVRXZFLMHZ-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116581;MM116581;C#CC(=CF)CCF;ZXDZFDWVXJUKAF-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116582;MM116582;C#CC(=CC)COC;ZUYVIBRVDFZLQM-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116583;MM116583;C#CC(=CF)COC;DEILUDHOPQDVDS-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116584;MM116584;C#CC(CCC)=NN;KGTZLIGYIQGWTF-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116585;MM116585;C#CC(=NCC)NC;RASZAHQAMZDTRW-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116586;MM116586;Cc1c(O)c(=O)ccn1N;HWSWTSRLLKBIHH-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116587;MM116587;CNN=CCC(=NO)NC;ZZIGVELSTCAZFJ-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116588;MM116588;C#CC(=CC)OCC;IFMYHEJXIIKCJP-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116589;MM116589;C#CC(=CF)OCC;MTOVFDIARKCLMU-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116590;MM116590;CNN(C=N)C(=O)NC=N;CYYUBVUZVRVBPE-UHFFFAOYSA-N;143.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116591;MM116591;C#CC(=NO)OCC;FJWQPWILWCXKOX-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116592;MM116592;C#CC(=CC)CC=C;XCTUAYIYROXZMQ-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116593;MM116593;C#CC(=CF)CC=C;MBKIKLAXXHFGQB-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116594;MM116594;C#CC(=CF)CC#N;NPLPKZYTGBIWRJ-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116595;MM116595;C#CC(CC=O)=NO;BLNZRTQZSGDPPB-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116596;MM116596;C#CC(=CC)NC=O;VCHLDFSHPOSFTJ-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116597;MM116597;C#CC(=CC)OC=C;CYEZQOMTZRNFDO-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116598;MM116598;C#CC(=CC)OC=O;HRJAPPMJYLNERS-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116599;MM116599;C#CC(=CF)OC=C;DGJWZRZTMKTYCA-UHFFFAOYSA-N;112.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116600;MM116600;C#CC(=CF)OC=O;GYSKJVDALIHYOD-UHFFFAOYSA-N;114.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116601;MM116601;C#CCC(C#C)=CC;FHNDETKCBGNWLU-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116602;MM116602;C#CCC(C#C)=CF;RDUIBFQQMUSLFL-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116603;MM116603;CC=CC(=CC)CC;JYTWQBPLBJGHEV-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116604;MM116604;CC=C(C=CF)CC;ZFJRICDOSNYEFM-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116605;MM116605;CC=CC(=CF)CC;WHKZGFLZCTWKJN-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116606;MM116606;CC=CC(=CC)CN;OSCXGLRJUDVUJB-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116607;MM116607;CC=CC(=CF)CN;CHYLBEVJYNFKNZ-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116608;MM116608;CC=CC(=CC)CO;JLDXBJRLNRPGFH-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116609;MM116609;CC=C(C=CF)CO;VCIRAXFJYDKTLR-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116610;MM116610;CC=C(C=CF)CF;OIDSRHKSZHEBCP-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116611;MM116611;FC=CC(=CF)CF;QTODSUYLCZXGQR-UHFFFAOYSA-N;122.09;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116612;MM116612;CC=C(C=NN)CC;DVJUAHWNOPJTRH-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116613;MM116613;CN=C(NC)C(=O)NC=N;KEXKPNRTKPPJSP-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116614;MM116614;CCC(C=NN)=CF;VRTHSWKTBYJWQB-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116615;MM116615;NC=C(C=NO)CN;UHXCVTXAWUQPNN-UHFFFAOYSA-N;115.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116616;MM116616;NCC(C=NO)=CF;RJSCHAQYFCZJDM-UHFFFAOYSA-N;118.11;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116617;MM116617;C=NNC1=CC(=NO)CC1;NBZQLXZMRSIUEZ-UHFFFAOYSA-N;139.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116618;MM116618;CC=C(C=NN)CF;FPMAKXRTZPGUJA-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116619;MM116619;CC=C(C=NO)CF;RWPJQHXWQDDNSH-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116620;MM116620;NN=CC(=CF)CF;KNVDRLDMJWJZQT-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116621;MM116621;CC=CC(CC)=NN;SKGSASYGIHHUOG-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116622;MM116622;CCC(C=CF)=NN;UMNZHBRQUBQCME-UHFFFAOYSA-N;116.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116623;MM116623;CC1NC1CON=CC#N;UIPHRVGRLHUHJI-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116624;MM116624;CCC(C=CF)=NO;XASZBWOAQLCOEL-UHFFFAOYSA-N;117.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116625;MM116625;O=CC1=CNC(=NO)NC1;SETNLISSNKCTJW-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116626;MM116626;NC=CC(CO)=NO;RUAKMPWSBGZUCN-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116627;MM116627;NN=C(C=CF)CF;CBLCZNLXINSPGN-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116628;MM116628;CCC(C=NO)=NO;LZFNGZNYSUSWHH-UHFFFAOYSA-N;116.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116629;MM116629;CC(C)CC=NO;JAUPRNSQRRCCRR-UHFFFAOYSA-N;101.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116630;MM116630;NN=C(C=NO)CO;GJOCKADUWHBEAA-UHFFFAOYSA-N;117.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116631;MM116631;Nc1[nH]cnc1O;CEPSBDOAJNPLDJ-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116632;MM116632;CN=C(C=CN)NO;RUOKGDFUNLVKMU-UHFFFAOYSA-N;115.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116633;MM116633;CNc1cnc(O)[nH]1;NIJOROOAFYLTGV-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116634;MM116634;CCC(=N)NC(=O)NN;VWAWNALVKSKDAD-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116635;MM116635;CN=C(N)C(=O)NC=N;YDTFVXZENCMXER-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116636;MM116636;C=NNC(=NO)N(C)O;RYWKMVWGWFGDGP-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116637;MM116637;CC1=C(F)CN(O)C1=N;YGIAHULBYADKSX-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116638;MM116638;CC=CC(=CC)OC;MRFXFGJOVUXHLI-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116639;MM116639;CC=C(C=CF)OC;CMRSHHFGRZNTIV-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116640;MM116640;CC=CC(=CF)OC;PMVXZKXXGDZSEA-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116641;MM116641;COC(C=CF)=CF;OJJQBXBATMVXHI-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116642;MM116642;CC=C(C=NN)OC;BPUJXSNGAQKHLW-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116643;MM116643;CC=C(C=NO)OC;MSHHMUAFJLOHJM-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116644;MM116644;CC1=C(N)C(=N)NC1=O;TYFSNZWMKDDOAZ-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116645;MM116645;CCN=C1CNC(=O)N1;LMAIIJPWLCKLQD-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116646;MM116646;CC=CC(=NO)OC;QMRNWZAOJUYQRN-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116647;MM116647;COC(C=NO)=NN;SJSBIZDVZIVZKH-UHFFFAOYSA-N;117.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116648;MM116648;C=CC(C=CC)=CC;PGOMGLGOCMPWIP-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116649;MM116649;C=CC(C=CF)=CC;AJSLHIPNRHZOIZ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116650;MM116650;C=CC(C=CC)=CF;JFLXOKVEFHXOPH-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116651;MM116651;C=CC(C=CF)=CF;XSAACUYFYPFABC-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116652;MM116652;CC=CC(C=O)=CC;ISYZDRNVHUJZSI-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116653;MM116653;CC=CC(C#N)=CC;WEGLLSQHRLICDJ-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116654;MM116654;CC=C(C=O)C=CF;QFIHKPLGYCURHD-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116655;MM116655;CC=C(C#N)C=CF;HLJUFVXIMYOWDF-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116656;MM116656;NC=C(C=O)C=CF;NGDFSWQKPKRVCU-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116657;MM116657;N#CC(C=CF)=CN;PXOHKBMNCRAXBC-UHFFFAOYSA-N;112.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116658;MM116658;CC=CC(C=O)=CF;HKHXWDMPNKEHQI-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116659;MM116659;CC=CC(C#N)=CF;IZLYYTJFBRDWAD-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116660;MM116660;O=CC(C=CF)=CF;OVLNNODHEMTIGK-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116661;MM116661;N#CC(C=CF)=CF;ZQEZKXBXDVVYDA-UHFFFAOYSA-N;115.08;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116662;MM116662;C=CC(C=NN)=CC;HSPNNPGTLOAANX-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116663;MM116663;N=CN1CC(=NO)C=N1;ZSPKCHIHCVKUKF-UHFFFAOYSA-N;126.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116664;MM116664;C=CC(C=NN)=CF;FRUOSJOQRRRZNH-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116665;MM116665;C=CC(C=NO)=CF;FRRGISZCJCSLLP-UHFFFAOYSA-N;115.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116666;MM116666;CC=C(C#N)C=NO;AZLZKPPLJIFBLX-UHFFFAOYSA-N;110.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116667;MM116667;N#CC(C=NO)=CN;QYWNJJOAPSGGCM-UHFFFAOYSA-N;111.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116668;MM116668;C=CC(C=CC)=NN;LCOZZVKBUILWGC-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116669;MM116669;C=CC(C=CF)=NN;DGNSAKNMGXVHRO-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116670;MM116670;C=C(F)CC(=N)NC(N)=O;BECXFJXVLODBLU-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116671;MM116671;C=CC(C=CF)=NO;LZYKQYXWTZHXIP-UHFFFAOYSA-N;115.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116672;MM116672;CC=CC(C=O)=NO;QPCGLYQIAPCGNF-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116673;MM116673;NC=CC(C=O)=NO;KDFNASMEJKWFQQ-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116674;MM116674;C#CC(C=CF)=CC;PJOVMEMMLHYENR-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116675;MM116675;C#CC(C=CC)=CF;COAUXQDCWFJCPX-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116676;MM116676;C#CC(C=CF)=CF;GPEGZQBGPQVDPY-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116677;MM116677;C#CC(C=NN)=CC;QQOLQOMWJLXIDU-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116678;MM116678;C#CC(C=NO)=CC;RBZLQBALRSMESX-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116679;MM116679;C#CC(C=NN)=CF;MGONTHFQENWVIE-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116680;MM116680;C#CC(C=CF)=NN;FIBULKJCXIRNFB-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116681;MM116681;C#CC(C=CF)=NO;PFCYONVYFVRLQR-UHFFFAOYSA-N;113.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116682;MM116682;CC#CC(=CF)CF;ZXBGJLDAAZEMRL-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116683;MM116683;CC#CC(CC)=NN;VBCGNFQAGDTDPD-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116684;MM116684;CC#CC(CC)=NO;SULJOASDYVOYSD-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116685;MM116685;CC#CC(CF)=NN;ISHIYAKZMFTCBU-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116686;MM116686;CC#CC(=CC)OC;RGFZLSHINPUZOG-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116687;MM116687;CC#CC(=CF)OC;YQNQINHCQMMASH-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116688;MM116688;CNC(=O)NC(=O)C(=N)N;JHAIPPSIKLDPJP-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116689;MM116689;C=CC(C#CC)=CC;BRMLILSCJCONCJ-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116690;MM116690;C=CC(C#CC)=CF;BVNKAKIOXVKECC-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116691;MM116691;CC#CC(C=O)=CC;PEVGDTBZHFSAQG-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116692;MM116692;CC#CC(C=O)=CF;WBEKSZRENISFNU-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116693;MM116693;C=CC(C#CC)=NN;VPGJFIWIHHIICX-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116694;MM116694;C=CC(C#CC)=NO;FBOCTXYDVNZXMM-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116695;MM116695;CCC=C(CC)CC;AUJLDZJNMXNESO-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116696;MM116696;CCC(=CCN)CC;MTRJOENLIHGVGT-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116697;MM116697;CCC(=CCO)CC;PUCCIVZQJKKAET-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116698;MM116698;CCC(=CCF)CC;AIMFMLFDPPTKAN-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116699;MM116699;CCC=C(CC)CN;DCFGFHQCSMMLPC-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116700;MM116700;CCC(=CCN)CN;ZPGLDLJIYNGMJS-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116701;MM116701;CCC(=CCF)CN;QEJUBHRQMHETDH-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116702;MM116702;CCCC(=N)NC(=O)NN;LAPSQMDYXBBSMC-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116703;MM116703;CCC(=CCF)CO;FGDWCGNLKPBESO-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116704;MM116704;CCC=C(CC)CF;XYHRUNIAIYHBHT-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116705;MM116705;CCC(=CCO)CF;BIMYYHKUNYTMPG-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116706;MM116706;CCC(=CCF)CF;XFKDSKAPVIVNHE-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116707;MM116707;CCC=C(CN)CN;CIZGARODPGKBPV-UHFFFAOYSA-N;114.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116708;MM116708;NCC=C(CN)CN;GCTTZSBXMOXEAD-UHFFFAOYSA-N;115.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116709;MM116709;NCC(=CCO)CN;ZBKFYHSGWZMQLH-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116710;MM116710;NCC(=CCF)CN;CHDUQXXIMAHBIQ-UHFFFAOYSA-N;118.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116711;MM116711;NCC=C(CN)CO;JWOYFTOFPSNCOW-UHFFFAOYSA-N;116.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116712;MM116712;NCC(=CCF)CO;DHOAJFJGPJQDNQ-UHFFFAOYSA-N;119.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116713;MM116713;CCC=C(CN)CF;BTYJPLPCXIROGR-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116714;MM116714;CCC=C(CO)CO;FUSKXFDRUQBXHU-UHFFFAOYSA-N;116.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116715;MM116715;NCC=C(CO)CO;AFBXMSZSEWPFHH-UHFFFAOYSA-N;117.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116716;MM116716;OCC=C(CO)CF;GERTXZHIXYMSCR-UHFFFAOYSA-N;120.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116717;MM116717;CCC(=COC)CN;NCOPLHCITSWDNV-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116718;MM116718;CCC(=COC)CO;NOIPJGWOXDSDQW-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116719;MM116719;COC=C(CN)CN;DLLGXANBHFZTHX-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116720;MM116720;CCC=C(CC)OC;RWRGGFPFAHYJKQ-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116721;MM116721;CCC(=CCN)OC;PRGKNTGLTGRQLN-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116722;MM116722;CCC(=CCF)OC;RHYRAQOWVLTNDM-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116723;MM116723;CCC=C(CN)OC;KUZBSAWXEYYTRE-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116724;MM116724;COC(=CCN)CN;YXKJJYPPEMCXJH-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116725;MM116725;COC(=CCO)CN;ZRJQUIJCUNUURF-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116726;MM116726;CCC=C(CF)OC;JPBNULWUCUWWMF-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116727;MM116727;COC(=CCF)CF;SFNPXCCKPOXATF-UHFFFAOYSA-N;122.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116728;MM116728;COC=C(CF)OC;VXYXTDQTTNGJOQ-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116729;MM116729;CCC(CF)=NNC;IPOSYZSPXSHWIK-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116730;MM116730;CCC(CF)=NOC;JKLAEGHPTMGQAH-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116731;MM116731;CCC(=NOC)OC;OVASXVAVSQJTIN-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116732;MM116732;CCN=C(NC)NN;RALYHBWEXOEWSN-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116733;MM116733;CCN=C(NC)NO;PQWYNDMGRMPFON-UHFFFAOYSA-N;117.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116734;MM116734;CNN=C(NC)NC;XAWNPXGDGUINQP-UHFFFAOYSA-N;116.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116735;MM116735;CNN=C(NN)NN;QTILHBUIUVFXQB-UHFFFAOYSA-N;118.14;-2.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116736;MM116736;CNN=C(NN)NO;IJZBJTQHFWFIMV-UHFFFAOYSA-N;119.13;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116737;MM116737;CCN=C(NC)OC;BOPFSPJNJRUBIZ-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116738;MM116738;C=CC(=O)CC(=O)NNC;PJAVJVOHZXCYEE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116739;MM116739;C=CC(=N)NC(=O)C=CF;QHCPYPGKHVMCME-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116740;MM116740;C=CC=C(CC)CC;CTIIHLLLFSJVCN-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116741;MM116741;CCC(=CC=O)CC;JQLMXAXMYSJAPJ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116742;MM116742;CCC(=CC#N)CC;WDXJOKBPTSUUNJ-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116743;MM116743;C=CC=C(CC)CN;KGETXENDBIMNPV-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116744;MM116744;CC(=NO)N(C)CC(F)F;OTCRECAIGKISNI-UHFFFAOYSA-N;152.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116745;MM116745;CCC(=CC=O)CO;KMYQBRQFKJGEHH-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116746;MM116746;CCC(=CC#N)CO;AGESMEAQEFCORI-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116747;MM116747;C=CC=C(CC)CF;JYDDYHZMLRIAEQ-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116748;MM116748;CCC(=CC=O)CF;IABDOIZWKIPUHX-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116749;MM116749;CCC(=CC#N)CF;PKMCLVWJGFLPTQ-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116750;MM116750;C=CC=C(CN)CN;AVKJGKFUOOEDMZ-UHFFFAOYSA-N;112.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116751;MM116751;C=CC=C(CN)CO;XBFCAJYVPAKPPN-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116752;MM116752;C=CC=C(CN)CF;WHQRCTXSCIEJNZ-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116753;MM116753;O=CC=C(CO)CF;QVAPUSQYZHBOHV-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116754;MM116754;O=CC=C(CF)CF;ZYDRLMDDAVDDNY-UHFFFAOYSA-N;120.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116755;MM116755;N#CC=C(CF)CF;ZTZIGBOKEXPYAM-UHFFFAOYSA-N;117.1;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116756;MM116756;CCC(=CC=O)NC;ZIBONBWXIMVUJG-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116757;MM116757;CCC(=CC#N)NC;BXYPKYDPZXTCOS-UHFFFAOYSA-N;110.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116758;MM116758;CCC(=CC=O)OC;LMCFPUFJYBFRGF-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116759;MM116759;CCC(=CC#N)OC;HZFOGDOMQJQDEZ-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116760;MM116760;C=CC=C(CN)OC;NYEULMGUYNVZJR-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116761;MM116761;C=CC=C(CO)OC;HAQHSPAQGHHSRS-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116762;MM116762;COC(=CC=O)CO;VCCAJXROOOJDOA-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116763;MM116763;COC(=CC#N)CO;DCAMLLPINLSVCT-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116764;MM116764;C=CC=C(CF)OC;IJAQOEKLDNDTGN-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116765;MM116765;COC(=CC=O)CF;BMCUCTLGTVRKRK-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116766;MM116766;COC(=CC#N)CF;FDLWVQZMIYWXGS-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116767;MM116767;C=NN=C(CC)CF;PHZSPMGTFROSPO-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116768;MM116768;C=NNC(CO)=NO;NNIMWHQCJVVVIP-UHFFFAOYSA-N;117.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116769;MM116769;C=NN=C(CC)OC;XZTWAEVBCVYKEX-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116770;MM116770;C=NN=C(CF)OC;JCYPIDHJISXSBD-UHFFFAOYSA-N;118.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116771;MM116771;CNC(=NC=N)NC;JHAPGHLYRVZAIZ-UHFFFAOYSA-N;114.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116772;MM116772;CNC(=NC=O)NN;ZGNAMTMAMXONKD-UHFFFAOYSA-N;116.12;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116773;MM116773;C=CN=CNC(=O)NNC;XZSPRNQIIKZOSL-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116774;MM116774;N=CNC(=O)C#CC=NN;GKIOJELPMKWLSH-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116775;MM116775;CCN=C(N)C(=O)NC=N;DFNFXWOGAGDBNO-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116776;MM116776;COC(=NC=O)NO;XPDSNHVAJFZJSO-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116777;MM116777;C#CC=C(CC)CC;UTEMBLSPEWIWDH-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116778;MM116778;C#CC=C(CC)CO;POZWKVAPZQKZSX-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116779;MM116779;C#CC=C(CC)CF;SWVSPQUMMKVMRW-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116780;MM116780;C#CC=C(CC)OC;USQCRAJYGVUBPK-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116781;MM116781;C#CC=C(CF)OC;MZQBBPYOXMGQRO-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116782;MM116782;C=CC(=CCC)CC;XTEHSUDXCMUZEH-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116783;MM116783;C=CC(=CCN)CC;FBCFSRQGKLWGFU-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116784;MM116784;C=CC(=CCO)CC;SALZUZSIQDLWMV-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116785;MM116785;C=CC(=CCF)CC;PNEQVJOYDXIDQN-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116786;MM116786;CCC=C(C=O)CC;STWQWFMLBVYZTH-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116787;MM116787;CCC=C(C#N)CC;UHZMGSZPOTXNPH-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116788;MM116788;CCC(C#N)=CCO;OTTYEAOONTVHEI-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116789;MM116789;CCC(C=O)=CCF;NWGDQVXMROHUQE-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116790;MM116790;CCC(C#N)=CCF;QVXNHCBERFXEIF-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116791;MM116791;C=CC(=CCC)CN;KIHZKKPEFSQWCS-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116792;MM116792;C=CC(=CCC)CO;JCJYPEIHZOSAHJ-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116793;MM116793;C=CC(=CCN)CO;JXHJKLJCYBYBGL-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116794;MM116794;C=CC(=CCO)CO;LEXGAEGNPKOMJA-UHFFFAOYSA-N;114.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116795;MM116795;C=CC(=CCF)CO;HEHJYRDQXFKOJC-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116796;MM116796;CCC=C(C=O)CO;FUKZDNHVWHCIEE-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116797;MM116797;CCC=C(C#N)CO;BLUVAGPPSHIKAM-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116798;MM116798;O=CC(=CCO)CO;ZURWHLNZANAEPM-UHFFFAOYSA-N;116.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116799;MM116799;N#CC(=CCO)CO;HYSSNHLBSZNTQF-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116800;MM116800;O=CC(=CCF)CO;FHUHIDUVOSGBAC-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116801;MM116801;C=CC(=CCC)CF;XSJVMMMAIBLPIX-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116802;MM116802;C=CC(=CCO)CF;BNXBOUHPKHNWMH-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116803;MM116803;C=CC(=CCF)CF;JRCCFHFSCMAFKK-UHFFFAOYSA-N;118.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116804;MM116804;CCC=C(C=O)CF;ARTXPYHSJDMVPK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116805;MM116805;CCC=C(C#N)CF;XHVSIGBTAVWMIB-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116806;MM116806;O=CC(=CCO)CF;CPYISUTWDCWSHE-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116807;MM116807;O=CC(=CCF)CF;MKWHGAYOSLHEMY-UHFFFAOYSA-N;120.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116808;MM116808;N#CC(=CCF)CF;CRQOTPBOJQDICH-UHFFFAOYSA-N;117.1;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116809;MM116809;CCC(C#N)=CNC;QOQXREAHUCEKIR-UHFFFAOYSA-N;110.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116810;MM116810;CNC=C(C=O)CO;QNXSWQDKMDSNLS-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116811;MM116811;CNC=C(C=O)CF;CJEYMIOUNUPVIE-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116812;MM116812;CCC(C=O)=COC;VKMRVNVYNKTCBS-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116813;MM116813;CCC(C#N)=COC;KGQGQSFAXBNDRL-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116814;MM116814;C=CC(=COC)CF;TVFINGGYXFUTNZ-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116815;MM116815;COC=C(C#N)CF;SSTQKVFLHKUSJK-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116816;MM116816;C=CC(=CCC)OC;KICZBKSHPKHQJT-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116817;MM116817;C=CC(=CCF)OC;KUNKTXJNMCVPES-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116818;MM116818;CCC=C(C=O)OC;SIWXHCLJVSHRAM-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116819;MM116819;CCC=C(C#N)OC;YUERFGNRNIRJLP-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116820;MM116820;COC(C=O)=CCO;YDCBROIIUTXRNK-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116821;MM116821;COC(C#N)=CCO;JZMRSNMEEYVNCO-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116822;MM116822;COC(C=O)=CCF;WVTRLRHWKGTLDJ-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116823;MM116823;COC(C#N)=CCF;VWZDHHUTAHCAIL-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116824;MM116824;CN=CN(N)C(=O)NC=N;FPOLOPMURDWNAV-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116825;MM116825;C=CC(CC)=NOC;HZRYIEMVQMYWMS-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116826;MM116826;CON=C(C=O)CO;ZSLUTNJFBRSHET-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116827;MM116827;C=CC(CF)=NOC;LYBHUCUNQRRITA-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116828;MM116828;C=CN=CNC(=O)N(C)N;VDCZADZEVKLWOA-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116829;MM116829;C=CC(=NOC)OC;SJAUSJSXYMQOOF-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116830;MM116830;CON=C(C=O)OC;NPVAZJJDDJEBMQ-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116831;MM116831;C=CC=C(C=C)CC;JZKZOXPQWTXRGD-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116832;MM116832;C=CC(=CC=O)CC;RLUCXUKRNYEIFX-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116833;MM116833;C=CC(=CC#N)CC;MPJWDVYOTPNKOF-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116834;MM116834;C=CC=C(C=O)CC;PRWFTPSEMZXXDE-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116835;MM116835;C=CC=C(C#N)CC;MWABYMPOJCUDQM-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116836;MM116836;CCC(C=O)=CC=O;QUMFAIHIBKQSII-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116837;MM116837;CCC(C#N)=CC=O;POUOGKBQIJFOOE-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116838;MM116838;C=CC=C(C=C)CN;AAZXWLFWWFNCIV-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116839;MM116839;C=CCC1=NN(C)C(=N)C1;JNBUXVKZUFZLDU-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116840;MM116840;C=CC=C(C=O)CO;FJVDWLUMBROMJB-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116841;MM116841;C=CC(=CC=O)CF;NGCPBGOERLESJM-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116842;MM116842;C=CC(=CC#N)CF;DDVDZCZYVMHDEO-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116843;MM116843;C=CC=C(C#N)CF;POZFZWAIVCYTPT-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116844;MM116844;N#CC=C(C=O)CF;JINAMSFUKFXPJD-UHFFFAOYSA-N;113.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116845;MM116845;C=CC(=CC=O)NC;YLDZOLPCLFHLAU-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116846;MM116846;C=CC(=CC#N)NC;CITYCMPYPYROBD-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116847;MM116847;C=CC(=CC=O)OC;AIJVBMMAHDTHBZ-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116848;MM116848;C=CC(=CC#N)OC;CXXFXCZZOHHHMP-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116849;MM116849;C=CC=C(C=O)OC;ZOFLISAAILVESO-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116850;MM116850;C=CC=C(C#N)OC;FAYNZSNVQIHROO-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116851;MM116851;C=CC(CC)=NN=C;BKGHYJZXXCFVCP-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116852;MM116852;C=NN=C(C=O)CC;OCVJPKQAPOFAPM-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116853;MM116853;C=NN=C(C#N)CC;PATBLLCXLUDTSL-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116854;MM116854;C=CC(CF)=NN=C;LJHCKNUMIXXTRL-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116855;MM116855;C=NN=C(C#N)CF;OUZPBOMLFJOARP-UHFFFAOYSA-N;113.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116856;MM116856;C=CC(=NN=C)OC;YBXCNGPMDIESLR-UHFFFAOYSA-N;112.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116857;MM116857;C#CC=C(C=C)CC;ADLLOIHLWIVNKC-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116858;MM116858;C#CC=C(C=C)CF;OSQQSKQEHQJQJK-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116859;MM116859;C#CC=C(C#N)CF;OSIQPVADUPYZGX-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116860;MM116860;C#CC=C(C=C)OC;UHRGYPJLVCHAGQ-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116861;MM116861;C#CC(=CCC)CC;UCMCNNZZUMCOBM-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116862;MM116862;C#CC(=CCN)CC;YWHYMBYISSJZAU-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116863;MM116863;C#CC(=CCO)CC;PWIOJZQAJHSIBM-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116864;MM116864;C#CC(=CCF)CC;ZCSWLUZESOTAFK-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116865;MM116865;C#CC(=CCC)CN;HINDCLLUZGHLPE-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116866;MM116866;C#CC(=CCC)CF;SLKJHMJRQMMICJ-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116867;MM116867;C#CC(=CCF)CF;QKHSLCCBERRAKB-UHFFFAOYSA-N;116.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116868;MM116868;C#CC(=COC)CC;XBEMWPUUVBGYJT-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116869;MM116869;C#CC(=COC)CF;UHDPSNDWFDNSMX-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116870;MM116870;C#CC(=CCC)OC;FMVVIIFIACNAQG-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116871;MM116871;C#CC(=CCF)OC;WRYHMCZBARXNMP-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116872;MM116872;CC#Cc1cn(O)c(N)n1;VZIVZDKQBOKVSP-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116873;MM116873;C#CC(=CC=O)CC;RPQDGTMXOIPMRO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116874;MM116874;C#CC(=CC=O)CO;DVOJGLNOZZWNOT-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116875;MM116875;C#CC(=CC=O)CF;DFIGEKUONAIFHE-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116876;MM116876;C#CC(=CC#N)CF;ZRPHUVZLWXNTDM-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116877;MM116877;C#CC(CC)=NN=C;CYUBIGVDHRMKAK-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116878;MM116878;C=CC(C=C)=CCN;RALKRARTKBYQAZ-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116879;MM116879;C=CC(C=C)=CCO;NDLBWHMULAJAMQ-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116880;MM116880;C=CC(C=C)=CCF;AVWJMGVFTMLWBF-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116881;MM116881;C=CC(C#N)=CCC;KFKOHMQDVQQASF-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116882;MM116882;C=CC(C#N)=CCO;BIBKUCCVNMCPLY-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116883;MM116883;C=CC(C=O)=CCF;DDEJMQLUFKTZDG-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116884;MM116884;C=CC(C#N)=CCF;URZQDFKYCARGAQ-UHFFFAOYSA-N;111.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116885;MM116885;N#CC(C#N)=CCF;QKZQAIZKTSDJAY-UHFFFAOYSA-N;110.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116886;MM116886;C=CC(C#N)=CNC;TWNNJCKQRGQTFD-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116887;MM116887;CNC=C(C#N)C#N;ZODVMGKFLLMYKW-UHFFFAOYSA-N;107.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116888;MM116888;C=CC(C=C)=COC;HCMCLEOCGHDIQX-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116889;MM116889;C=CC(C#N)=COC;KJQIQVQRBPDXTI-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116890;MM116890;C=CC(C=C)=NNC;FDWFBOWMFFHKEO-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116891;MM116891;CON=C(C=O)C=O;CUJPDZLFOHVBIV-UHFFFAOYSA-N;115.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116892;MM116892;CON=C(C#N)C=O;MJZPUSJDWUCOQW-UHFFFAOYSA-N;112.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116893;MM116893;C=CC=C(C=C)C=C;IOBSCEJIYIKFBY-UHFFFAOYSA-N;106.17;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116894;MM116894;C=CC(C=C)=CC=O;ONYHAEZFIVNMRZ-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116895;MM116895;C=CC(C=C)=CC#N;WDKOADZMAHHGKP-UHFFFAOYSA-N;105.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116896;MM116896;C=CC=C(C#N)C=C;RWHNVYQGIAEATO-UHFFFAOYSA-N;105.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116897;MM116897;C=CC(C#N)=CC#N;BJFXHGGPHAJFIL-UHFFFAOYSA-N;104.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116898;MM116898;O=CC=C(C=O)C=O;PBLOBEMJPVZILU-UHFFFAOYSA-N;112.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116899;MM116899;N#CC(C#N)=CC=O;QJEXQZGVLRBJML-UHFFFAOYSA-N;106.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116900;MM116900;C=CC(C=C)=NN=C;BFCXSWPKKKCJJO-UHFFFAOYSA-N;108.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116901;MM116901;C=CC(C=O)=NN=C;WIEFTJUVXJEEHX-UHFFFAOYSA-N;110.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116902;MM116902;C#CC(C=C)=CCN;QOIGPVXTAZBVJK-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116903;MM116903;C#CC(C=C)=CCF;PSPXEWNSYZGYOY-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116904;MM116904;C#CC(C=O)=CCC;WYYVXMMDUJZMSZ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116905;MM116905;C#CC(C#N)=CCF;DSLBNDUBQSAHAC-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116906;MM116906;C#CC(C#N)=CNC;CISZBZRSEVXASL-UHFFFAOYSA-N;106.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116907;MM116907;C#CC(C=C)=NOC;CAKIZYSRWRICMV-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116908;MM116908;C#CC(C=C)=CC=O;FGDHXTPFHKWJHD-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116909;MM116909;C#CC(C=C)=CC#N;QDNFCLFBBRQQOU-UHFFFAOYSA-N;103.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116910;MM116910;C#CC(C=O)=CC=C;GWTWNUSVOQJQMV-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116911;MM116911;C#CC(C=C)=NN=C;FZVSCCPQCKULPG-UHFFFAOYSA-N;106.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116912;MM116912;C#CC(C=O)=NN=C;CSRRPSQRJKTDBB-UHFFFAOYSA-N;108.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116913;MM116913;C#CC(C#C)=CCN;LJUBYWGOMFIXAW-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116914;MM116914;C#CC(C#C)=CCF;UMSFTPKLCUTNBZ-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116915;MM116915;C#CC(C#C)=CC=O;VJEJXNZEQFNELI-UHFFFAOYSA-N;104.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116916;MM116916;C#CC(C#C)=NN=C;CKYJPNYTCNMJPD-UHFFFAOYSA-N;104.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116917;MM116917;CC(C)C(CF)CF;CAIXOMBKKDLMEP-UHFFFAOYSA-N;122.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116918;MM116918;CCC(CN)C(C)N;RXGMHHCBFXJQDV-UHFFFAOYSA-N;116.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116919;MM116919;CC(N)C(CN)CF;PFNHEKMELUMCLN-UHFFFAOYSA-N;120.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116920;MM116920;CCC(CF)C(C)O;LIHZDXPGTWFLIJ-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116921;MM116921;CC(O)C(CN)CF;GINULACTWMVHCO-UHFFFAOYSA-N;121.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116922;MM116922;CCC(CN)C(C)F;NELABSSUHPBTEF-UHFFFAOYSA-N;119.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116923;MM116923;CCC(CF)C(C)F;WFLIACOWCJJWNC-UHFFFAOYSA-N;122.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116924;MM116924;CC(F)C(CF)CF;UWNKQRQUZUFOSK-UHFFFAOYSA-N;126.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116925;MM116925;CCC(CO)C(F)F;GOQAEHFAEPJVDQ-UHFFFAOYSA-N;124.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116926;MM116926;CCC(CF)C(F)F;RLJCYQOUBFZLFI-UHFFFAOYSA-N;126.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116927;MM116927;NCC(CF)C(F)F;VNZDJFGSHFSXRQ-UHFFFAOYSA-N;127.11;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116928;MM116928;OCC(CO)C(F)F;FAJHXQVTDPHGDX-UHFFFAOYSA-N;126.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116929;MM116929;FCC(CF)C(F)F;ZYVVQIATCOQIKR-UHFFFAOYSA-N;130.08;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116930;MM116930;CCC(NC)C(C)C;HJHAMSGXTLUICE-UHFFFAOYSA-N;115.22;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116931;MM116931;CNC(CF)C(C)C;FNMJXCPSNIUPRI-UHFFFAOYSA-N;119.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116932;MM116932;CCC(NC)C(C)N;WMDNWWWVQKAFDR-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116933;MM116933;CNC(CF)C(C)N;WPUSONUYVCAASJ-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116934;MM116934;CCC(NC)C(C)F;MNSPVOYEDACZPN-UHFFFAOYSA-N;119.18;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116935;MM116935;CNC(CN)C(C)F;AFVLDHHUYHMZEA-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116936;MM116936;CNC(CO)C(C)F;QGZXHTPYFUJZKI-UHFFFAOYSA-N;121.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116937;MM116937;CNC(CF)C(F)F;NHKBRJBENPZTSR-UHFFFAOYSA-N;127.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116938;MM116938;COC(CO)C(C)N;QHJYMRGTEGFJHB-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116939;MM116939;COC(CO)C(C)O;FTXUAWAGJFCCIT-UHFFFAOYSA-N;120.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116940;MM116940;COC(CN)C(C)F;STUALGDGJUAYLC-UHFFFAOYSA-N;121.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116941;MM116941;COC(OC)C(C)N;GZOKAVHTSXSLNB-UHFFFAOYSA-N;119.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116942;MM116942;CN(C)C(CN)CO;LAVNHYANZVOFFK-UHFFFAOYSA-N;118.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116943;MM116943;CCN(CC)C(C)C;ULWOJODHECIZAU-UHFFFAOYSA-N;115.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116944;MM116944;C=CC(CF)C(C)C;FCMXUPGEMOQRJF-UHFFFAOYSA-N;116.18;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116945;MM116945;C=CC(CC)C(C)N;UPKIAXXBJPEZBQ-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116946;MM116946;CCC(C=O)C(C)O;LCPCVJFTTGDOSW-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116947;MM116947;CC(O)C(C#N)CO;SSEAVDXKAMAYNA-UHFFFAOYSA-N;115.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116948;MM116948;C=CC(CF)C(C)O;USMKZPJHFNNUIM-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116949;MM116949;CC(O)C(C=O)CF;AJFHBCSUKJFKRC-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116950;MM116950;CCC(C=O)C(C)F;UJACZXYAWMXXMU-UHFFFAOYSA-N;118.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116951;MM116951;CC(F)C(C=O)CO;IHSJDUDQVFFKMV-UHFFFAOYSA-N;120.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116952;MM116952;C=CC(CF)C(C)F;CRBMLNDJULPVIE-UHFFFAOYSA-N;120.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116953;MM116953;CC(F)C(C=O)CF;DZFRXLHOFGNDCJ-UHFFFAOYSA-N;122.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116954;MM116954;C=CC(CC)C(F)F;MRYHAPMEAPQMAQ-UHFFFAOYSA-N;120.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116955;MM116955;CCC(C=O)C(F)F;JDCPAVGZTAKKTE-UHFFFAOYSA-N;122.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116956;MM116956;N#CC(CO)C(F)F;WHRRWGWCDQAJIM-UHFFFAOYSA-N;121.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116957;MM116957;C=CC(CF)C(F)F;CGOJRTHCUOJONW-UHFFFAOYSA-N;124.11;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116958;MM116958;CCC(C)(CC)CC=NO;XQVODHQZXWTBGO-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116959;MM116959;COC(C=O)C(C)O;XPWYHPQVIWRPIJ-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116960;MM116960;COC(C#N)C(C)F;DHYSRGYSLHWAEK-UHFFFAOYSA-N;117.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116961;MM116961;COC(C=O)C(F)F;GVYUTSSSKSKQAF-UHFFFAOYSA-N;124.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116962;MM116962;NNC(=NO)NC=C(F)F;QAKFXTVCFJEMON-UHFFFAOYSA-N;152.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116963;MM116963;C#CC(CC)C(C)C;DWKKKJGLTTVXQG-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116964;MM116964;C#CC(CF)C(C)C;CEGMVTSZBMNXPL-UHFFFAOYSA-N;114.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116965;MM116965;C#CC(CC)C(C)N;LVVCRUPJOUKBBL-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116966;MM116966;C#CC(CF)C(C)F;ZJVFVBANKJFYKO-UHFFFAOYSA-N;118.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116967;MM116967;C#CC(NC)C(C)O;PDXNXCWXBIRBSA-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116968;MM116968;C=NNCC(=O)ONC=O;PCTDRHUMBJENGW-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116969;MM116969;C#CC(OC)C(F)F;KIERMJJQQZIAHX-UHFFFAOYSA-N;120.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116970;MM116970;C=CC(C=C)C(C)C;MQOQMTWSRBYKHN-UHFFFAOYSA-N;110.2;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116971;MM116971;C=CC(C#N)C(C)C;SZLUVJAFDZJXDD-UHFFFAOYSA-N;109.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116972;MM116972;CC(C)C(C=O)C=O;OLYHYJGOOMMTIH-UHFFFAOYSA-N;114.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116973;MM116973;C=CC(C#N)C(C)O;BCRZCZWVPYTBSQ-UHFFFAOYSA-N;111.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116974;MM116974;CC(F)C(C#N)C#N;QEUIKEPOHVETMY-UHFFFAOYSA-N;112.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116975;MM116975;C=CC(C=O)C(F)F;VYDCVDGQKBMLBD-UHFFFAOYSA-N;120.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116976;MM116976;N#CC(C=O)C(F)F;LUZAZTSLIABFOU-UHFFFAOYSA-N;119.07;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116977;MM116977;C=CC(C#N)N(C)C;IDVOZACOBPEZAI-UHFFFAOYSA-N;110.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116978;MM116978;C#CC(C=C)C(C)C;KEWYINMELCNFMI-UHFFFAOYSA-N;108.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116979;MM116979;C#CC(C=C)C(C)N;OFKASIJVQJIJNB-UHFFFAOYSA-N;109.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116980;MM116980;NC(CO)C(=O)ONC=O;VLUMGZPLJLXBIP-UHFFFAOYSA-N;148.12;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116981;MM116981;C#CC(C=O)C(C)F;MNODQRCUXKUNFX-UHFFFAOYSA-N;114.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116982;MM116982;C#CC(C#N)C(F)F;OJVZJHOIUJLOLK-UHFFFAOYSA-N;115.08;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116983;MM116983;C#CC(C#C)C(C)N;WZXDTWWAHWOSQI-UHFFFAOYSA-N;107.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116984;MM116984;C#CC(C#C)C(C)F;SAGSUMUFJGAXMX-UHFFFAOYSA-N;110.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116985;MM116985;C=C(C)C(CN)CF;GXOLKDFGRTYJRQ-UHFFFAOYSA-N;117.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116986;MM116986;CCC(CN)C(=N)N;HXHFOZBGQHHFPY-UHFFFAOYSA-N;115.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116987;MM116987;CCC(CO)C(=N)N;GQHMJKAEYMZAGV-UHFFFAOYSA-N;116.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116988;MM116988;CCC(CF)C(=N)N;IKARTCKZNJLEPO-UHFFFAOYSA-N;118.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116989;MM116989;C=CN(N)C(=O)NC=NC;HHUCHTZOJSHYDU-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116990;MM116990;CCC(CN)C(N)=O;VGLLYSWYIREIOO-UHFFFAOYSA-N;116.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116991;MM116991;Nc1nc(C=O)oc1O;CQGVDDFUSACKOY-UHFFFAOYSA-N;128.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116992;MM116992;CCC(CF)C(=O)O;TXXKFNLDQCKMGV-UHFFFAOYSA-N;120.12;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116993;MM116993;N#CC(CCC1CO1)=NO;SVPMYNLALINKLR-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116994;MM116994;N=Cn1nc(N)n(O)c1=O;WRHIQMFBKGAQSV-UHFFFAOYSA-N;143.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116995;MM116995;O=C(O)C(CF)CF;LNKIVDYWQNKCIV-UHFFFAOYSA-N;124.09;0.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116996;MM116996;C=C(F)C(CC)CN;MFKLMOBVJIDCBJ-UHFFFAOYSA-N;117.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116997;MM116997;C=C(F)C(CN)CF;FGXXYPXDAASFCA-UHFFFAOYSA-N;121.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116998;MM116998;C=C(F)C(CO)CO;ZFEFQROIWGWKNK-UHFFFAOYSA-N;120.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM116999;MM116999;C=C(F)C(CO)CF;YVQPBRKBASDSIN-UHFFFAOYSA-N;122.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117000;MM117000;C=C(C)C(CC)NC;CARDCYPFCNTHPM-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117001;MM117001;C=C(F)C(CN)NC;RYYXTJUWAFYYAC-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117002;MM117002;CCC(OC)C(C)=O;FTNLCEAONBXWSO-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117003;MM117003;COC(CO)C(=N)N;ALMGOMWCXVZSJD-UHFFFAOYSA-N;118.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117004;MM117004;COC(CF)C(=N)N;RDHIGWMAGYNWLW-UHFFFAOYSA-N;120.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117005;MM117005;COC(CO)C(N)=O;WWXIXCHQLYNBLU-UHFFFAOYSA-N;119.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117006;MM117006;Cc1nc(C)c(O)o1;VXKUNKKJLJKPAG-UHFFFAOYSA-N;113.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117007;MM117007;CCN(NC)C(C)=N;JEKAZFPIPHYZOE-UHFFFAOYSA-N;115.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117008;MM117008;CCN(NC)C(C)=O;ZPECCSCDNCQCGH-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117009;MM117009;CCN(OC)C(=N)N;HBRKGMAGBIWCQG-UHFFFAOYSA-N;117.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117010;MM117010;C=C(C)C(C#N)CC;BMXWDRHZUMGYSB-UHFFFAOYSA-N;109.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117011;MM117011;C=C(C)C(C=O)CF;GNUPDSVGVFNPIZ-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117012;MM117012;C=C(C)C(C#N)CF;QJHVWGHYTYBKKE-UHFFFAOYSA-N;113.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117013;MM117013;C=CC(CC)C(C)=O;CFRNFXSWKSFQLL-UHFFFAOYSA-N;112.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117014;MM117014;CC(=O)C(C#N)CO;ISQOAUBEIQFQTO-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117015;MM117015;C=CC(CF)C(C)=O;YPUYURJFODBYPY-UHFFFAOYSA-N;116.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117016;MM117016;CCC(C=O)C(=N)N;GYVZTNSMNWBJGN-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117017;MM117017;C=CC(CN)C(=N)N;MPCKRTUOBHKWSH-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117018;MM117018;N#CC(CO)C(=N)N;NTERLYKPTOFCFI-UHFFFAOYSA-N;113.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117019;MM117019;N=C(NN)ON=CNC=O;FCHGNJOXJGYRJI-UHFFFAOYSA-N;145.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117020;MM117020;CCC(C=O)C(N)=O;XKZZEHKRQBEQEX-UHFFFAOYSA-N;115.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117021;MM117021;CCC(C#N)C(N)=O;QIWORMKRMYXXJC-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117022;MM117022;C=CC(CN)C(N)=O;HILGLZOMUYMCQV-UHFFFAOYSA-N;114.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117023;MM117023;C=CC(CO)C(N)=O;WVJIGSCXKVVQNR-UHFFFAOYSA-N;115.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117024;MM117024;NC(=O)C(C=O)CO;QKZJJOCKHVWJNH-UHFFFAOYSA-N;117.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117025;MM117025;N#CC(CO)C(N)=O;GMHGDJYVQLUKRS-UHFFFAOYSA-N;114.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117026;MM117026;N#CC(CF)C(N)=O;LXTCONAPFNLHQL-UHFFFAOYSA-N;116.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117027;MM117027;C=C(F)C(C=O)CC;VJNHDKBPXBBJDA-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117028;MM117028;C=CC(CF)C(=C)F;SSDDIPGQCUSEEJ-UHFFFAOYSA-N;118.13;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117029;MM117029;C=C(F)C(C=O)CF;UKJQFPIEAXNPPO-UHFFFAOYSA-N;120.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117030;MM117030;CNC(C=O)C(=N)N;MHRNDKPROQLMSR-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117031;MM117031;CNC(C#N)C(=N)N;KJYARBCHEYLSOD-UHFFFAOYSA-N;112.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117032;MM117032;C=C(F)C(C#N)NC;QLYRWYGCZYDGEL-UHFFFAOYSA-N;114.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117033;MM117033;COC(C#N)C(C)=O;OAXHTLUFSUOYFG-UHFFFAOYSA-N;113.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117034;MM117034;COC(C=O)C(N)=O;OOFMSAORZCFGMP-UHFFFAOYSA-N;117.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117035;MM117035;O=C(C=NO)ON=CCO;BSEDKCAWSRNNHE-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117036;MM117036;C=C(F)C(C#N)OC;AAWHWJUYADJTHD-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117037;MM117037;C=CN(NC)C(C)=N;OTBXPZOBHUPYOR-UHFFFAOYSA-N;113.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117038;MM117038;C=CN(NC)C(C)=O;PPHSDAYRPRVQED-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117039;MM117039;CNN(C=N)C(=N)N;XVBVDMVOSDIGKK-UHFFFAOYSA-N;115.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117040;MM117040;CNN(C=O)C(=N)N;IICSFPDGONMLFN-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117041;MM117041;C=CN(OC)C(C)=O;CNVFZHDWESOMPY-UHFFFAOYSA-N;115.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117042;MM117042;CON(C=O)C(C)=O;QZQRQTPQABJCTC-UHFFFAOYSA-N;117.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117043;MM117043;C#CC(CC)C(=C)C;DSMBAAREEMWKJK-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117044;MM117044;C#CC(CF)C(=C)C;VLACESBJDKSRRC-UHFFFAOYSA-N;112.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117045;MM117045;C#CC(CN)C(=N)N;GBGRTEODZJTXCU-UHFFFAOYSA-N;111.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117046;MM117046;C#CC(CO)C(=N)N;VCOYUZUGFVWCIB-UHFFFAOYSA-N;112.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117047;MM117047;C#CC(CO)C(N)=O;CVRGKCFYTMYKTD-UHFFFAOYSA-N;113.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117048;MM117048;C#CC(CN)C(=C)F;NIDOOGACDMNDIC-UHFFFAOYSA-N;113.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117049;MM117049;C#CC(CF)C(=C)F;ZFRLIUYCTOLRRS-UHFFFAOYSA-N;116.11;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117050;MM117050;C#CC(OC)C(N)=O;LOLHKBLASPNALN-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117051;MM117051;CNc1nc(C=CO)co1;QCUVZQOEVCHYII-UHFFFAOYSA-N;140.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117052;MM117052;C#CC(OC)C(=C)F;RFMFVJNUHJVBHY-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117053;MM117053;C=CC(C=C)C(=C)C;RWMFDAZEMLLDRL-UHFFFAOYSA-N;108.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117054;MM117054;C=CC(C=O)C(=C)C;NFYJNJXAZMQVFX-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117055;MM117055;C=CC(C#N)C(=C)C;MXNKNIRSWSLTPV-UHFFFAOYSA-N;107.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117056;MM117056;C=CC(C=O)C(=N)N;PQGMELYCMJEJDC-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117057;MM117057;C=CC(C#N)C(=N)N;COIHWSGYHPNWEE-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117058;MM117058;N#CC(C=O)C(=N)N;VIVXOMVBVULSPE-UHFFFAOYSA-N;111.1;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117059;MM117059;C=CC(C=C)C(N)=O;YDHOUIYUIWJVPW-UHFFFAOYSA-N;111.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117060;MM117060;O=CC(=NO)ON=CCO;FLXLCFWQRUFWPN-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117061;MM117061;C=CC(C=O)C(=C)F;VXRJDFZQBGGUOR-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117062;MM117062;C=C(F)C(C#N)C#N;KPYLACLXECCOFK-UHFFFAOYSA-N;110.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117063;MM117063;CC(=O)N(C=N)C=N;GNACBJUMRGBIKH-UHFFFAOYSA-N;113.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117064;MM117064;C=CN(N=C)C(C)=O;VEHXMRNSYMIDCR-UHFFFAOYSA-N;112.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117065;MM117065;C#CC(C=C)C(=C)C;QFUMAGUYSUNFLD-UHFFFAOYSA-N;106.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117066;MM117066;C#CC(C=O)C(=N)N;URXFPTZGOIYSBO-UHFFFAOYSA-N;110.12;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117067;MM117067;C=CC(O)(C#CC)C=NO;DKYNJYZVKFGVNO-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117068;MM117068;C#CC(C#C)C(=C)C;SEXZSJSJSIBQBK-UHFFFAOYSA-N;104.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117069;MM117069;C#CC(C#C)C(=O)O;WBKXQGQDWVVCAP-UHFFFAOYSA-N;108.1;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117070;MM117070;C#CC(C#C)C(=C)F;ZGVVKXIVPQBGQP-UHFFFAOYSA-N;108.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117071;MM117071;CC=C(CC)C(C)C;DSTFDBMUTNIZGD-UHFFFAOYSA-N;112.22;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117072;MM117072;CCC(=CF)C(C)C;OIWVZPZZAPBDKZ-UHFFFAOYSA-N;116.18;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117073;MM117073;CC=C(CN)C(C)C;XNDZLJSTCCXRLN-UHFFFAOYSA-N;113.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117074;MM117074;CC(C)C(=CF)CO;VZLSIFOPQZQCSD-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117075;MM117075;CC(C)C(=CF)CF;SOCNYYWMLGHLLA-UHFFFAOYSA-N;120.14;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117076;MM117076;CCC(=CF)C(C)N;ILVGJVUNVXSHPS-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117077;MM117077;CC(N)C(=CF)CN;HVXPFWKQDXSIKQ-UHFFFAOYSA-N;118.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117078;MM117078;CC=C(CF)C(C)N;PENMXLYHJOVKNW-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117079;MM117079;N=C(NO)ON=CNC=O;LEAMFFFJPIIPAY-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117080;MM117080;CCC(=CF)C(C)O;PFBWGRZEOWUQMG-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117081;MM117081;CC=C(CN)C(C)O;GDRHPMZTPVYUFH-UHFFFAOYSA-N;115.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117082;MM117082;CC=C(CF)C(C)O;WZKPSAKBYKODCM-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117083;MM117083;CC(O)C(=CF)CF;RWHVLARFBKDNIV-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117084;MM117084;CC=C(CC)C(C)F;CYZLXJPLBQXADE-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117085;MM117085;CCC(=CF)C(C)F;MXAFEESOZCSOKX-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117086;MM117086;CC(F)C(=CF)CF;MTVMZIJNCUDEAO-UHFFFAOYSA-N;124.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117087;MM117087;CC=C(CN)C(F)F;HXIQMPWWFVZXCO-UHFFFAOYSA-N;121.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117088;MM117088;CCC(=NO)C(C)N;DNYUEIRTCJOVCJ-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117089;MM117089;CN(C)C(C#CCO)=NO;HYOQZQGUXFGCLA-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117090;MM117090;Nc1c[nH]c(=NO)oc1=O;DJBWFLLWOQPYCS-UHFFFAOYSA-N;143.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117091;MM117091;CC(F)C(CF)=NN;XKRDTNMCKINSBZ-UHFFFAOYSA-N;122.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117092;MM117092;C=CCc1cc(O)n[nH]1;GIXVZAYKONHSBH-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117093;MM117093;CN=C(NC)C(C)C;XYZYSNYDTXJLIS-UHFFFAOYSA-N;114.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117094;MM117094;CN=C(NN)C(C)C;PHVTYSIBMYKBIZ-UHFFFAOYSA-N;115.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117095;MM117095;CC(C)C(=NO)NO;WOZDXEDVWFZOLS-UHFFFAOYSA-N;118.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117096;MM117096;CN=C(NO)C(C)N;OREWGOFMXZUUEN-UHFFFAOYSA-N;117.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117097;MM117097;CC=C(OC)C(C)N;BQKPIWWOLYLBQG-UHFFFAOYSA-N;115.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117098;MM117098;CC=C(OC)C(C)O;CWCWVYDVUGJQKG-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117099;MM117099;COC(=CF)C(C)O;NHOGYAPFCFOLCE-UHFFFAOYSA-N;120.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117100;MM117100;CC=C(OC)C(F)F;VGFSGECYZKDBHX-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117101;MM117101;COC(=CF)C(F)F;RDNGUTGJEXNBEN-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117102;MM117102;N=CNC(=O)N(C=N)C=O;PBDJAYGZIGANLA-UHFFFAOYSA-N;142.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117103;MM117103;Cc1c[nH]nc1O;TYWCCQQJFXUKRN-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117104;MM117104;N#CCC1=NN(C=N)CC1;YOFIRUOETNKQCW-UHFFFAOYSA-N;136.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117105;MM117105;CN=C(CN)N(C)C;CHLYIERNVWJEKU-UHFFFAOYSA-N;115.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117106;MM117106;CN(C)C(CO)=NO;PDNOMGATDIUUDQ-UHFFFAOYSA-N;118.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117107;MM117107;O=CCOC=CNC=NO;VZEGCYLXLRZLRF-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117108;MM117108;CN=C1CNC(=O)N1;FUEJLKOVULHHHR-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117109;MM117109;C=CC(=CC)C(C)C;MEEZQQZMLHHSGW-UHFFFAOYSA-N;110.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117110;MM117110;C=CC(=CF)C(C)C;AFQYJQRXGLWEOQ-UHFFFAOYSA-N;114.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117111;MM117111;CC(C)C(C=O)=CF;DEYRAXQLRNPZAL-UHFFFAOYSA-N;116.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117112;MM117112;C=CC(=CF)C(C)N;LICMKBIASLOSKP-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117113;MM117113;CC(O)C(C=O)=CN;CQWVPHJJCXWIFA-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117114;MM117114;CC(=N)NC(=O)N(C)N;QDDIAORRCPARSU-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117115;MM117115;CC(O)C(C=O)=CF;XRXYHYPYDCVYSG-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117116;MM117116;CC(O)C(C#N)=CF;KQMDDLKWMHBPMX-UHFFFAOYSA-N;115.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117117;MM117117;CC=C(C=O)C(C)F;RHFMVRQVIPYDBG-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117118;MM117118;CC(F)C(C=O)=CF;HFTFFRYQCMEXQA-UHFFFAOYSA-N;120.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117119;MM117119;Cn1c(N)nc(=O)[nH]c1=O;HWODMDXTUZMRBP-UHFFFAOYSA-N;142.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117120;MM117120;CC=NOC(=NO)C(C)O;LNFBSNOVQXBAFO-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117121;MM117121;C=CC(=NN)C(C)F;RBVVILZQVIAZHE-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117122;MM117122;Cc1[nH]n(N)c(=O)c1N;PNHTXPYMEADIRD-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117123;MM117123;CN(O)C(C=O)=NO;UBKVHBJAJCFUCZ-UHFFFAOYSA-N;118.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117124;MM117124;C#CC(=CC)C(C)C;WVZOJGXJOLCXQO-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117125;MM117125;C#CC(=CF)C(C)C;BUJJCBSODXKBDU-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117126;MM117126;C#CC(=CC)C(C)N;NRJNEUYSBVWVSB-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117127;MM117127;C#CC(=CF)C(C)N;MHWHPDJJBRNIGU-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117128;MM117128;CNNC(=O)NC(C)=N;CWLBVMCXIWOXAF-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117129;MM117129;C#CC(=CF)C(C)O;VRMXVJDWTIKKFI-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117130;MM117130;C#CC(=CF)C(C)F;HPBWPZHXMPLAPQ-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117131;MM117131;C#CC(=NC)N(C)C;HBMNIVLFYJILSP-UHFFFAOYSA-N;110.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117132;MM117132;C=C(C)C(=CC)CC;QXNYNMNRJMHGHH-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117133;MM117133;C=C(C)C(=CC)CN;IMHMJESBCHVTHU-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117134;MM117134;C=C(C)C(=CF)CN;XFUMDYBIDZYMDH-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117135;MM117135;C=C(C)C(=CF)CF;FHKLLAVUVDDVQC-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117136;MM117136;CC=C(CC)C(C)=O;KRJQGIMOLPOGQY-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117137;MM117137;CC(=O)C(=CF)CO;FHXWBMVVGFQQCR-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117138;MM117138;CC=C(CF)C(C)=O;ZWJFNAIOKWINAF-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117139;MM117139;CC(=O)C(=CN)CF;SVGORKUKSBVSOE-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117140;MM117140;CC=C(CC)C(=N)N;JHXJQPQGRDOOCK-UHFFFAOYSA-N;112.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117141;MM117141;N=C(N)C(=CN)CO;NTKZFPXYRJTIOO-UHFFFAOYSA-N;115.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117142;MM117142;CC=C(CF)C(=N)N;VYTOVQCHKQYEDP-UHFFFAOYSA-N;116.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117143;MM117143;N=C(N)C(=CN)CF;FAWAYLFMWFRFLO-UHFFFAOYSA-N;117.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117144;MM117144;N=CNC(=O)C#CCO;DCLRXDJWOYXHSS-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117145;MM117145;C=CN=CNC(=O)NN;DWYIALPIFPMFFF-UHFFFAOYSA-N;128.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117146;MM117146;CC=C(CN)C(N)=O;MQCQQVHHSYZOPK-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117147;MM117147;NC=C(CO)C(N)=O;GPHRQJRMZSLRJM-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117148;MM117148;NC(=O)C(=CF)CO;VBJNILQCDGKRAN-UHFFFAOYSA-N;119.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117149;MM117149;C=CC(C)=C(C)C=NO;QTEPPIZYSKPTCF-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117150;MM117150;NC(=O)C(=CF)CF;FGBMKVVUKWLGKX-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117151;MM117151;CC=C(CC)C(=O)O;KFSQJVOLYQRELE-UHFFFAOYSA-N;114.14;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117152;MM117152;CCC(=CF)C(=O)O;DGXPRMNHXBTTBD-UHFFFAOYSA-N;118.11;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117153;MM117153;NN=c1cc(F)[nH]o1;VBGOGXCOPIBSTH-UHFFFAOYSA-N;117.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117154;MM117154;Cc1c(F)c(=O)n(O)n1N;LXZHWFYLDMBLJV-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117155;MM117155;C=C(F)C(=CC)CN;KDAGIAGCAPGYTF-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117156;MM117156;C=C(F)C(=CF)CN;HLRAXPJYYJLNHZ-UHFFFAOYSA-N;119.11;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117157;MM117157;CCC(=NO)C(C)=O;KKJVJCIOIRIFFK-UHFFFAOYSA-N;115.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117158;MM117158;CNc1n[nH]c(N)c1O;SLBPAVXHBLKTNR-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117159;MM117159;N=C(N)C(CO)=NN;YYOQADZCJGAPMS-UHFFFAOYSA-N;116.12;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117160;MM117160;NN=C(CO)C(N)=O;DMSGYTDHKUKOQK-UHFFFAOYSA-N;117.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117161;MM117161;N=c1ncn(N)n(O)c1=O;FITLWPBKZIUUJT-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117162;MM117162;N=c1[nH]cc(F)c(=O)o1;SMIODFGLCLRTRL-UHFFFAOYSA-N;130.08;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117163;MM117163;O=c1on(CCF)nc1O;SDUBDRMOALVKGH-UHFFFAOYSA-N;148.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117164;MM117164;N#CCC1=NC(=N)C=C1;HEONWSURFFORCY-UHFFFAOYSA-N;119.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117165;MM117165;CNN(C)C(=O)NC(C)=N;HPHBWNQWVHTEFU-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117166;MM117166;O=CC(F)C(=O)C(F)CF;LKWNYPLBVQQTSN-UHFFFAOYSA-N;154.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117167;MM117167;Cc1c(O)n(C)c(=O)n1O;GMBJPQYBPJRWGZ-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117168;MM117168;C=C(F)C(=CF)OC;XTOUBHZCIZPXDS-UHFFFAOYSA-N;120.1;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117169;MM117169;CNC(=NN)ONC(N)=O;IYYCMIDJMVJQPR-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117170;MM117170;C=C(C)C(=NO)OC;SQNIMNLQNQASTL-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117171;MM117171;CC(=NO)NNCCC#N;WXPOOHIAQHXFJD-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117172;MM117172;C=C(C)C(C#N)=CC;GCUHGCHNCGXFMV-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117173;MM117173;C=C(C)C(C=O)=CF;VTNZFJQFXDAUSK-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117174;MM117174;C=C(C)C(C#N)=CF;UFLGNYVMAUYLQT-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117175;MM117175;C=CC(=CF)C(C)=O;UJVJRXYHVNVDOP-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117176;MM117176;CC(=O)C(C=O)=CN;LSGFKUYSFADRID-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117177;MM117177;CC(=O)C(C#N)=CF;NXSWIGFDAQCTKI-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117178;MM117178;C=CC(=CF)C(=N)N;PFGKUNPPOZXVFT-UHFFFAOYSA-N;114.12;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117179;MM117179;N=C(N)C(C=O)=CN;KWVSUYJMNRJODI-UHFFFAOYSA-N;113.12;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117180;MM117180;O=CN(O)C(CF)=NO;IRARPCQOHUXTPL-UHFFFAOYSA-N;136.08;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117181;MM117181;C=C(F)C(C#N)=CN;JFOUPJYNXRKMEE-UHFFFAOYSA-N;112.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117182;MM117182;C=C(F)C(C=O)=CF;XABWOUGYKLUDJC-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117183;MM117183;C=CC(=NN)C(=C)C;FVWSHEOFFWHUNT-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117184;MM117184;CN=C(NC=O)N(C)C=O;XKKDNFRTCZLOQG-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117185;MM117185;CC(F)C(=NO)N(O)C=O;RAMXSBDGNBKSEL-UHFFFAOYSA-N;150.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117186;MM117186;C=CC(=NN)C(=N)N;VPCAUPUJPVNSRI-UHFFFAOYSA-N;112.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117187;MM117187;C#CC#CC1=NNC(=N)C1;CESIDSJQHZXQDG-UHFFFAOYSA-N;131.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117188;MM117188;C=CC(=NO)C(N)=O;UPHOROBREWQBLQ-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117189;MM117189;NC(=O)C(C=O)=NO;AFYLMOHEZIAOJO-UHFFFAOYSA-N;116.08;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117190;MM117190;N#Cc1cc(O)c(O)o1;ROHMRBCKTOJLPM-UHFFFAOYSA-N;125.08;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117191;MM117191;CC#Cc1cc(=O)n(C)[nH]1;XPJZVMJXJYVVET-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117192;MM117192;C#CC(=CC)C(=C)C;AZMBJHOIJWCGAX-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117193;MM117193;C#CC(=CN)C(C)=O;WAISNJHUTYDEFC-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117194;MM117194;C#CC(=CC)C(=N)N;ONZNZOHZXDUULS-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117195;MM117195;CNNC(=O)C(CF)OC;MPWLPJGIKNRFLM-UHFFFAOYSA-N;150.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117196;MM117196;C#CC(=CC)C(=C)F;NMARJMZENPRMOM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117197;MM117197;C#CC(=NN)C(=C)F;JTYNLUAYZPCRFS-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117198;MM117198;CC(C)=C(CF)CF;VXBWYUKBGYWFLG-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117199;MM117199;CC(F)=C(CO)CF;OQZQDJPFOLYZBD-UHFFFAOYSA-N;122.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117200;MM117200;COC(CF)=C(C)C;GIFQRESYYPMURR-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117201;MM117201;CCC(OC)=C(C)F;KFHMRNDYQSGMLN-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117202;MM117202;COC(CF)=C(C)F;FLRNRQCDXIUIDU-UHFFFAOYSA-N;122.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117203;MM117203;COC(CN)=C(F)F;RAFTUTFTNVUTJT-UHFFFAOYSA-N;123.1;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117204;MM117204;COC(CF)=C(F)F;AHDQLCSCLFKIOU-UHFFFAOYSA-N;126.08;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117205;MM117205;C=CC(CC1CN1C)=NO;UCCPLLNKIDMWBJ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117206;MM117206;CC(N)=C(C=O)CF;OXBAMVMMSYCNLY-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117207;MM117207;C=CC(CO)=C(C)F;DFLKPDLVZAIEKA-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117208;MM117208;CC(F)=C(C=O)CO;GFDDANLHHNSJKS-UHFFFAOYSA-N;118.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117209;MM117209;CCC(C=O)=C(N)N;JTUZVWBJLCVFHS-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117210;MM117210;NC(N)=C(C=O)CO;IFYMUBNBIZYMIE-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117211;MM117211;CCC(C=O)=C(F)F;LKZXZDTUPKCONF-UHFFFAOYSA-N;120.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117212;MM117212;O=CC(CO)=C(F)F;WITLAMNBDCDOMB-UHFFFAOYSA-N;122.07;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117213;MM117213;COC(C#N)=C(C)C;GCHOTPGSCSHSRY-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117214;MM117214;C=CC(OC)=C(C)F;GTECIZRFHJMWTF-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117215;MM117215;COC(C=O)=C(C)F;RWACJIKWOXSNSO-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117216;MM117216;COC(C=O)=C(F)F;QYJDXKGNEAQPRJ-UHFFFAOYSA-N;122.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117217;MM117217;C#CC(CC)=C(C)C;HKKMQCGQEBCQJL-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117218;MM117218;C#CC(CF)=C(C)C;CELRLOFUVYWOTO-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117219;MM117219;C=CC(C#N)=C(C)C;GQSQGPMKYDYXNH-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117220;MM117220;CC(C)=C(C#N)C=O;OLNJSXFFGXHDBF-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117221;MM117221;CC(N)=C(C#N)C=O;AMVOHOSSVNWHRD-UHFFFAOYSA-N;110.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117222;MM117222;C=CC(C#N)=C(C)F;ZFVWCSMAADKJCV-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117223;MM117223;CC(F)=C(C#N)C=O;TZCSEXONWJZSQS-UHFFFAOYSA-N;113.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117224;MM117224;N#CC(C=O)=C(N)N;SKORKQHUCRTUHA-UHFFFAOYSA-N;111.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117225;MM117225;C=CC(C=O)=C(F)F;DCUPVXHYIIPMOE-UHFFFAOYSA-N;118.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117226;MM117226;N#CC(C=O)=C(F)F;HKDDGPQVNAJZDN-UHFFFAOYSA-N;117.05;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117227;MM117227;N#CC(C#N)=C(F)F;SXVXXRNPIVLMDU-UHFFFAOYSA-N;114.05;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117228;MM117228;C#CC(C=C)=C(C)C;IPRVONPKLQOKJM-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117229;MM117229;C#CC(C=O)=C(C)F;UKWMXOUCKPCYQR-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117230;MM117230;C#CC(C#N)=C(C)F;RQMNWSWXUZLOGK-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117231;MM117231;C#CC(C#C)=C(C)F;ZKJFFVGVBTWSNZ-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117232;MM117232;CCC1(CC)CCC1;FRPWTWJDPYBFOG-UHFFFAOYSA-N;112.22;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117233;MM117233;CCC1(CN)CCC1;YXHXWNKVIZEDET-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117234;MM117234;CCc1nc(N=NC)c[nH]1;AGSDQWQBFHBYHS-UHFFFAOYSA-N;138.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117235;MM117235;CCC1(CF)CCC1;VYTIRRJQHREHMB-UHFFFAOYSA-N;116.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117236;MM117236;NCC1(CN)CCC1;OBEQILXWAPILBH-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117237;MM117237;NCC1(CO)CCC1;ZDGSQIAVDXICTE-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117238;MM117238;NCC1(CF)CCC1;BDXAUFLNHCLNHH-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117239;MM117239;OCC1(CO)CCC1;AEBIBBWVNCPTNL-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117240;MM117240;OCC1(CF)CCC1;XPSSLCKRFDOFFL-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117241;MM117241;FCC1(CF)CCC1;LHVHXYAZTPETHQ-UHFFFAOYSA-N;120.14;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117242;MM117242;CCC1(NC)CCC1;GIDDACJFJBCKLT-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117243;MM117243;CNC1(CN)CCC1;QQNQTARUSRGFQV-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117244;MM117244;CNC1(CO)CCC1;BAAMMBDGTMPMRK-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117245;MM117245;CNC1(CF)CCC1;TYXDGKRYYJFVDA-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117246;MM117246;CCC1(OC)CCC1;ZWCYFUQINJYFNN-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117247;MM117247;COC1(CN)CCC1;OLARWWJMDKDOIC-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117248;MM117248;COC1(CO)CCC1;RWVZCYVSCXIVRP-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117249;MM117249;COC1(CF)CCC1;JZMQSWKHVULIFH-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117250;MM117250;COC1(OC)CCC1;LLZPXMCHUMPYRH-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117251;MM117251;CCC1(CC)CNC1;VCPUCGKZZCQTGO-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117252;MM117252;CCC1(CN)CNC1;CTPZMRUIUHGPLR-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117253;MM117253;CCC1(CO)CNC1;LSDQYPWUPKUBQS-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117254;MM117254;NCC1(CN)CNC1;MGHSXBVGEHKQCR-UHFFFAOYSA-N;115.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117255;MM117255;NCC1(CO)CNC1;BRUPHZXXWOMCNR-UHFFFAOYSA-N;116.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117256;MM117256;NCC1(CF)CNC1;UZLOBDAAJPWBJK-UHFFFAOYSA-N;118.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117257;MM117257;OCC1(CO)CNC1;JAXQPBINKGFTPK-UHFFFAOYSA-N;117.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117258;MM117258;CCC1(NC)CNC1;LRSFHANBUAZVLI-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117259;MM117259;CNC1(CN)CNC1;IHTJASLIGBYBPM-UHFFFAOYSA-N;115.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117260;MM117260;CNC1(CO)CNC1;QMGIWZBMWPYVCB-UHFFFAOYSA-N;116.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117261;MM117261;CNC1(CF)CNC1;SAEPBPSLTHXYCR-UHFFFAOYSA-N;118.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117262;MM117262;CCC1(OC)CNC1;GOEOBDFNYYPLSF-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117263;MM117263;COC1(CN)CNC1;AVFGAWZBMDYLQL-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117264;MM117264;CCC1(CC)COC1;VFYHHERJNPKXIX-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117265;MM117265;CCC1(CN)COC1;ULPPDJLROCFNJA-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117266;MM117266;CCC1(CO)COC1;UNMJLQGKEDTEKJ-UHFFFAOYSA-N;116.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117267;MM117267;CCC1(CF)COC1;RJUIYJYXWCYTRN-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117268;MM117268;NCC1(CN)COC1;UOLJQFVDVUKOSG-UHFFFAOYSA-N;116.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117269;MM117269;NCC1(CO)COC1;GGYZOSLAJSUXRM-UHFFFAOYSA-N;117.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117270;MM117270;NCC1(CF)COC1;DRBPUJPGRGWCDA-UHFFFAOYSA-N;119.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117271;MM117271;OCC1(CO)COC1;QSGREIXRTDCBHO-UHFFFAOYSA-N;118.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117272;MM117272;OCC1(CF)COC1;XGHXIYCOHWTAFB-UHFFFAOYSA-N;120.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117273;MM117273;FCC1(CF)COC1;MSXYVRFANVULOQ-UHFFFAOYSA-N;122.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117274;MM117274;CCC1(NC)COC1;YIVXCHVNGUOMHA-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117275;MM117275;CNC1(CN)COC1;LTLBZEFYDCAELT-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117276;MM117276;CCC1(OC)COC1;WHYSCQXYFSXDDS-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117277;MM117277;COC1(CN)COC1;NFVKWJHBOZALKW-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117278;MM117278;COC1(CO)COC1;DOLJKAPLHUHXSW-UHFFFAOYSA-N;118.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117279;MM117279;COC1(CF)COC1;VMAUXZXRNXKJRO-UHFFFAOYSA-N;120.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117280;MM117280;COC1(OC)COC1;OXBBCZDEGXLJCJ-UHFFFAOYSA-N;118.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117281;MM117281;CCC1(CC)CCN1;ITXYDHCNXASMEP-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117282;MM117282;CCC1(CN)CCN1;HXWWSBOMYGDLBO-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117283;MM117283;CCC1(CO)CCN1;FOJXXDOKVCNOAQ-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117284;MM117284;CCC1(CF)CCN1;YPDXFPBNLCVHPJ-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117285;MM117285;NCC1(CN)CCN1;PDRRCSXESRDDFQ-UHFFFAOYSA-N;115.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117286;MM117286;NCC1(CO)CCN1;KZUOPVODVFTEDR-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117287;MM117287;NCC1(CF)CCN1;SHBCPBQDHBFJIP-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117288;MM117288;OCC1(CO)CCN1;AEORDVPBHCINGX-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117289;MM117289;OCC1(CF)CCN1;IQBSNUNWFZVVGX-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117290;MM117290;CCC1(CC)CCO1;NVMOGAAWWSMHML-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117291;MM117291;CCC1(CN)CCO1;FKDSGTDFRGUMGR-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117292;MM117292;CCC1(CO)CCO1;GDCVWNMIFDZYRE-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117293;MM117293;CCC1(CF)CCO1;DJKQKJVHAODJQR-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117294;MM117294;NCC1(CN)CCO1;VVFCTLBAMYZRBN-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117295;MM117295;NCC1(CO)CCO1;XXKNSUQXKHZROF-UHFFFAOYSA-N;117.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117296;MM117296;C=CC1(CC)CCC1;PBICRAMSOSCWAZ-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117297;MM117297;CCC1(C=O)CCC1;FTHUFBUZFDIYSA-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117298;MM117298;CCC1(C#N)CCC1;SUWURMRBAOQSTC-UHFFFAOYSA-N;109.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117299;MM117299;C=CC1(CN)CCC1;UYTBUAVNMLDZBI-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117300;MM117300;CN=C1C=CC(CC#N)=N1;BTXFFGUTUKYEHH-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117301;MM117301;O=CC1(CO)CCC1;FXQHUQZCKVZYTF-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117302;MM117302;N#CC1(CO)CCC1;NCEHIMDMICMIQF-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117303;MM117303;C=CC1(CF)CCC1;STWFAFHPMHTYJV-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117304;MM117304;O=CC1(CF)CCC1;KORQGPPORYEXGB-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117305;MM117305;N#CC1(CF)CCC1;AIGUUEGMMMTPES-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117306;MM117306;C=CC1(NC)CCC1;BFKZLYGNTBTMSH-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117307;MM117307;CNC1(C=O)CCC1;HVSAMTUAKVYADU-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117308;MM117308;CNC1(C#N)CCC1;JTAPOORUPPEREW-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117309;MM117309;C=CC1(OC)CCC1;WROVDSMZLANONR-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117310;MM117310;COC1(C=O)CCC1;GRNDOCRMBKCXOA-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117311;MM117311;COC1(C#N)CCC1;DTJBZSFLHHEVDX-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117312;MM117312;C=CC1(CC)CNC1;QEFZXYBWXDQVPK-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117313;MM117313;CCC1(C=O)CNC1;BKMWHVVPULZOTJ-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117314;MM117314;C=CC1(CN)CNC1;UKEJLFXIRWDHFH-UHFFFAOYSA-N;112.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117315;MM117315;C=CC1(CO)CNC1;DNLFQNAFPXZBNI-UHFFFAOYSA-N;113.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117316;MM117316;O=CC1(CO)CNC1;DRLXVTSMHQKRQZ-UHFFFAOYSA-N;115.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117317;MM117317;C=CC1(CF)CNC1;FPEANRQYWWMXLL-UHFFFAOYSA-N;115.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117318;MM117318;C=CC1(NC)CNC1;NGRSXPQWZSAXKB-UHFFFAOYSA-N;112.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117319;MM117319;CNC1(C#N)CNC1;QMYVYAWUAZVECE-UHFFFAOYSA-N;111.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117320;MM117320;C=CC1(OC)CNC1;PQXHKJPXBZBOFH-UHFFFAOYSA-N;113.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117321;MM117321;COC1(C#N)CNC1;ZJESPLCFVLWTEF-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117322;MM117322;C=CC1(CC)COC1;CRULDSAQZJOATF-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117323;MM117323;CCC1(C=O)COC1;WBBLZANXGQZNNM-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117324;MM117324;CCC1(C#N)COC1;DPUBRFLYKUYNDL-UHFFFAOYSA-N;111.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117325;MM117325;C=CC1(CN)COC1;NGCALJQPNQFVSC-UHFFFAOYSA-N;113.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117326;MM117326;C=CC1(CO)COC1;NIHDUSNQIJNKLH-UHFFFAOYSA-N;114.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117327;MM117327;O=CC1(CO)COC1;RVPQGUFYBCESDI-UHFFFAOYSA-N;116.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117328;MM117328;N#CC1(CO)COC1;XKFCRVZKLSODEJ-UHFFFAOYSA-N;113.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117329;MM117329;C=CC1(CF)COC1;SSZDSWBAGPORTO-UHFFFAOYSA-N;116.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117330;MM117330;O=CC1(CF)COC1;GXEWBGFMRYWKHI-UHFFFAOYSA-N;118.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117331;MM117331;N#CC1(CF)COC1;ZVXAKIYNWOQFLT-UHFFFAOYSA-N;115.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117332;MM117332;CNC1(C#N)COC1;FMAMLJUGLDGDHJ-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117333;MM117333;C=CC1(OC)COC1;NGJSRNWWTASACY-UHFFFAOYSA-N;114.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117334;MM117334;COC1(C=O)COC1;FBZBAUPMINONTH-UHFFFAOYSA-N;116.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117335;MM117335;COC1(C#N)COC1;DKTLPGJQYGAKDX-UHFFFAOYSA-N;113.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117336;MM117336;C=CC1(CC)CCN1;CXVLMAFZFNSOCT-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117337;MM117337;CCC1(C=O)CCN1;YOEOFOBPACLTDO-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117338;MM117338;CCC1(C#N)CCN1;GSOFXPLVLCSZOE-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117339;MM117339;C=CC1(CN)CCN1;URTTZWSXNBQURQ-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117340;MM117340;C=CC1(CO)CCN1;IAYNZXUFCKJFFC-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117341;MM117341;CC#Cc1ncn(O)c1C;WSSIHMVMCSTWJC-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117342;MM117342;N#CC1(CF)CCN1;ATYDUBCZEFAOIP-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117343;MM117343;C=CC1(CC)CCO1;GJJDVUXFDCNPMF-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117344;MM117344;CCC1(C=O)CCO1;HWIUHUANQIAQCO-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117345;MM117345;CCC1(C#N)CCO1;QBWUVQJNWWKFRW-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117346;MM117346;C=CC1(CN)CCO1;BIAQUMZGGULXOJ-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117347;MM117347;C=CC1(CO)CCO1;WLIKCSWQWSIYMQ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117348;MM117348;O=CC1(CO)CCO1;JCHOZSGLXKDXQX-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117349;MM117349;N#CC1(CO)CCO1;VLSWHCCWGVWVAQ-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117350;MM117350;C=CC1(CF)CCO1;LMDYKHSFXQOTDE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117351;MM117351;C#CC1(CC)CCC1;VLKVEBOYJPLSOH-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117352;MM117352;C#CC1(CN)CCC1;VMMQCXUJARMKPF-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117353;MM117353;CC(=N)NC(=O)NN;DCZHGGKIOSIKJV-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117354;MM117354;C#CC1(CF)CCC1;FRQCPPPQUJSCQR-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117355;MM117355;C#CC1(NC)CCC1;AXCCWKVPMIAYJL-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117356;MM117356;C#CC1(OC)CCC1;PWZJWTKVMXPROY-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117357;MM117357;C#CC1(CC)CNC1;MRSNVIJLMFXIIQ-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117358;MM117358;C#CC1(CN)CNC1;FTGVUMDIOHREGS-UHFFFAOYSA-N;110.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117359;MM117359;C#CC1(CO)CNC1;XCMLLWLFCCVJAH-UHFFFAOYSA-N;111.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117360;MM117360;C#CC1(CF)CNC1;CKNBIKVGMYCXET-UHFFFAOYSA-N;113.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117361;MM117361;C#CC1(CC)COC1;PWKYSJZYOQHHOP-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117362;MM117362;C#CC1(CN)COC1;YLOKVBZXPBKMII-UHFFFAOYSA-N;111.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117363;MM117363;C#CC1(CO)COC1;SZECBUPWSGWUDL-UHFFFAOYSA-N;112.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117364;MM117364;C#CC1(CF)COC1;OKQYCRNFGMRIGW-UHFFFAOYSA-N;114.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117365;MM117365;C#CC1(OC)COC1;BZODGUXSQYCAAH-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117366;MM117366;C#CC1(CC)CCN1;ALQAQBVKCCJUNU-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117367;MM117367;C#CC1(CN)CCN1;DVJUWXRZVJMCKQ-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117368;MM117368;C#CC1(CO)CCN1;WQFLJEFSBLAVGX-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117369;MM117369;C#CC1(CC)CCO1;IAKKNGZPAOLKJJ-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117370;MM117370;C#CC1(CN)CCO1;NKLVJSJAXJNFQF-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117371;MM117371;C#CC1(CO)CCO1;ZRQJORTXMLQVLH-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117372;MM117372;C#CC1(CF)CCO1;ZXUKHAMKYQEYIT-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117373;MM117373;C=CC1(C=C)CCC1;ZCINTQHDIUHMKK-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117374;MM117374;C=CC1(C=O)CCC1;XTKXFRXQBKSMEM-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117375;MM117375;C=CC1(C#N)CCC1;CKMGCKCKIMEUCY-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117376;MM117376;O=CC1(C=O)CCC1;VOCPJLGSIMEWHJ-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117377;MM117377;N#CC1(C=O)CCC1;KNIBNWUTPJTCES-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117378;MM117378;N#CC1(C#N)CCC1;NLIIZKKTTLNFRW-UHFFFAOYSA-N;106.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117379;MM117379;C=CC1(C=C)CNC1;IIJULUJFNQNHTE-UHFFFAOYSA-N;109.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117380;MM117380;C=CC1(C=O)CNC1;RUGCMMXYSJCCPE-UHFFFAOYSA-N;111.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117381;MM117381;O=CC1(C=O)CNC1;AFMBSXNDGYOCEK-UHFFFAOYSA-N;113.12;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117382;MM117382;N#CC1(C#N)CNC1;OYWMIKQBHQELLS-UHFFFAOYSA-N;107.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117383;MM117383;C=CC1(C=C)COC1;FLKGETBUNDFMCC-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117384;MM117384;C=CC1(C=O)COC1;TYDFPHBKEZZQBB-UHFFFAOYSA-N;112.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117385;MM117385;C=CC1(C#N)COC1;RLSBPJBDBMZBTK-UHFFFAOYSA-N;109.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117386;MM117386;O=CC1(C=O)COC1;YYMBLOFWDNXIFA-UHFFFAOYSA-N;114.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117387;MM117387;N#CC1(C=O)COC1;OFMYJMFSRPBAQJ-UHFFFAOYSA-N;111.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117388;MM117388;N#CC1(C#N)COC1;FZIVZWABWGZZHR-UHFFFAOYSA-N;108.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117389;MM117389;C=CC1(C=C)CCN1;MEYRFLKQHLSOLA-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117390;MM117390;C=CC1(C#N)CCN1;CDOXJLGEDSYEPF-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117391;MM117391;N#CC1(C=O)CCN1;DGNWBMNJSIIREX-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117392;MM117392;N#CC1(C#N)CCN1;FCAGRNFAKMUIHS-UHFFFAOYSA-N;107.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117393;MM117393;C=CC1(C=C)CCO1;VTGBYJDXBJUKJY-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117394;MM117394;C=CC1(C=O)CCO1;LZDKBTVWNIMIJX-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117395;MM117395;C=CC1(C#N)CCO1;NRYMJWQBGYIMPK-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117396;MM117396;O=CC1(C=O)CCO1;ZRUNWVOXDOMQDX-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117397;MM117397;N#CC1(C=O)CCO1;CUEINOKFRVUFFP-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117398;MM117398;N#CC1(C#N)CCO1;HEXVWKBCXISXHS-UHFFFAOYSA-N;108.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117399;MM117399;C#CC1(C=C)CCC1;UGERVCHVJQJEAQ-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117400;MM117400;C#CC1(C=O)CCC1;UTOXKCMXAGEPOO-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117401;MM117401;C#CC1(C#N)CCC1;JIEMSWBMPBWDMK-UHFFFAOYSA-N;105.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117402;MM117402;C#CC1(C=C)CNC1;QGCFZOFAPLBHNT-UHFFFAOYSA-N;107.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117403;MM117403;C#CC1(C=O)CNC1;JBQFJQWXHJGURX-UHFFFAOYSA-N;109.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117404;MM117404;C#CC1(C=C)COC1;FUAKLYCVKZAIIA-UHFFFAOYSA-N;108.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117405;MM117405;C#CC1(C=O)COC1;QIQVHJLUUCQGIR-UHFFFAOYSA-N;110.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117406;MM117406;C#CC1(C#N)COC1;BPUCYCGJMRCGNX-UHFFFAOYSA-N;107.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117407;MM117407;C#CC1(C=C)CCN1;UKHFKKWNRFHWRI-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117408;MM117408;C#CC1(C#N)CCN1;ZIXAJKHDBDGPOK-UHFFFAOYSA-N;106.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117409;MM117409;C#CC1(C=C)CCO1;SWRIPOXTDWMSDL-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117410;MM117410;C#CC1(C=O)CCO1;KINIJCZWJLEFGL-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117411;MM117411;C#CC1(C#N)CCO1;KNOMCJMPBDOUSQ-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117412;MM117412;C#CC1(C#C)CCC1;FTANSGWYZHXILC-UHFFFAOYSA-N;104.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117413;MM117413;C#CC1(C#C)CNC1;MGUBHPBJTCYYIP-UHFFFAOYSA-N;105.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117414;MM117414;C#CC1(C#C)COC1;RODITOAWXCQBOO-UHFFFAOYSA-N;106.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117415;MM117415;C#CC1(C#C)CCO1;MKEYFIHYVNRODW-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117416;MM117416;CCCC1(CC)CC1;SDDZMTBYNFSGAV-UHFFFAOYSA-N;112.22;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117417;MM117417;CCC1(CCN)CC1;SIAPWRZWHVHUGZ-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117418;MM117418;CC#CC(=O)NC=N;RHVCCOFHXGGXBF-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117419;MM117419;CCC1(CCF)CC1;YWVHKTFJWMEEOZ-UHFFFAOYSA-N;116.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117420;MM117420;CCCC1(CN)CC1;MOPQSUSRXWYFIU-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117421;MM117421;NCCC1(CN)CC1;BFXSYDBCCLUPEF-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117422;MM117422;NCC1(CCO)CC1;HZCLISLVQHIGSR-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117423;MM117423;NCC1(CCF)CC1;LJYNKQDULOMLGU-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117424;MM117424;CC1NC(=O)NC1=N;HGHGYCVXQBIEEI-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117425;MM117425;NCCC1(CO)CC1;OAJCCDYAAMJBNI-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117426;MM117426;OCCC1(CO)CC1;HITKZZXNPQCJGP-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117427;MM117427;OCC1(CCF)CC1;VWERYNLYGOKFPD-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117428;MM117428;CCCC1(CF)CC1;WYCIUPMHGNXCOI-UHFFFAOYSA-N;116.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117429;MM117429;NCCC1(CF)CC1;IQISYUJHJYXQEM-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117430;MM117430;OCCC1(CF)CC1;KIXYRENGTWBVQI-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117431;MM117431;FCCC1(CF)CC1;RGSVKIDSLCTYBL-UHFFFAOYSA-N;120.14;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117432;MM117432;CCC1(CNC)CC1;QMJKKWLVFXNZJS-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117433;MM117433;CNCC1(CN)CC1;RXHGTHVFSGEXDX-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117434;MM117434;CNCC1(CO)CC1;JDQZUWZHXPZFNU-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117435;MM117435;CNCC1(CF)CC1;KBAPSBBBPMYWKI-UHFFFAOYSA-N;117.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117436;MM117436;CCC1(COC)CC1;FUZADKQRRQGWAJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117437;MM117437;COCC1(CN)CC1;GLLBCNNWOPIIOD-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117438;MM117438;COCC1(CO)CC1;WGLFLXUUQCEVBP-UHFFFAOYSA-N;116.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117439;MM117439;COCC1(CF)CC1;KPWVBYCUCIMJJS-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117440;MM117440;CCCC1(NC)CC1;LWCOWKVBYRHYCN-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117441;MM117441;CNC1(CCN)CC1;YNAFFMMPEBVZAK-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117442;MM117442;CNC1(CCO)CC1;ANFCWQHYTPAUAO-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117443;MM117443;CNC1(CCF)CC1;ZVUDGJLVDOQPFY-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117444;MM117444;CNCC1(NC)CC1;XYWAKQBSVJGLKI-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117445;MM117445;CNC1(COC)CC1;DAUXMNIXOMZOFC-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117446;MM117446;CCCC1(OC)CC1;YDVATXUPEREZPV-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117447;MM117447;COC1(CCO)CC1;BDFPVFDFWSPLPT-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117448;MM117448;COC1(CCF)CC1;OEPQQTCXAGNDTP-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117449;MM117449;CNCC1(OC)CC1;GLOPTRHEHRAWLE-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117450;MM117450;COCC1(OC)CC1;LKYYHKZFTPQABZ-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117451;MM117451;CCNC1(CC)CC1;OVDYATIVKWGRQQ-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117452;MM117452;CCNC1(CN)CC1;OOHKQTNXQBYZIU-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117453;MM117453;CCNC1(CO)CC1;JREPYAHTQLTPIY-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117454;MM117454;CCNC1(CF)CC1;IQECKDNDOGBVFT-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117455;MM117455;CCOC1(CC)CC1;YNBPSZGSJJDZHB-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117456;MM117456;CCOC1(CN)CC1;XVVCHLNZZAMYTR-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117457;MM117457;CCOC1(CO)CC1;YVMKPAHONQQZJO-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117458;MM117458;CCOC1(CF)CC1;AZYHJYZUVHZGQO-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117459;MM117459;CCOC1(OC)CC1;ZTILTRSJBKTBTM-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117460;MM117460;CCC1(CCN)CN1;DSRKSMNUDUCBKB-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117461;MM117461;CCCC1(CN)CN1;GQGGWTPBQBYEPO-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117462;MM117462;NCCC1(CN)CN1;XONLQLFYHSXNMV-UHFFFAOYSA-N;115.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117463;MM117463;NCC1(CCO)CN1;KIKLRCYKYXRTDG-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117464;MM117464;NCC1(CCF)CN1;XDZSVHNVDLNBBL-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117465;MM117465;NCCC1(CO)CN1;YNRAXPPJSWKYQF-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117466;MM117466;CCCC1(CF)CN1;SFXDPOUBKOFMEE-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117467;MM117467;NCCC1(CF)CN1;AWBVPDWWDGLLRT-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117468;MM117468;CN1CC(=N)NC1=O;VJAMXDLOFRRABJ-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117469;MM117469;CCC1(CNC)CN1;MEXGANNPKZNOPB-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117470;MM117470;CNCC1(CN)CN1;HILCKFHLRVKXER-UHFFFAOYSA-N;115.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117471;MM117471;CNCC1(CO)CN1;WXSICSFVAQHHEP-UHFFFAOYSA-N;116.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117472;MM117472;CNCC1(CF)CN1;UWUJFVWAYJQKFX-UHFFFAOYSA-N;118.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117473;MM117473;COCC1(CN)CN1;KMCCYMWJRSBFGQ-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117474;MM117474;CCC(C)CC=NO;HMGWXPZPARCQSH-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117475;MM117475;CCCC1(CC)CO1;YEGNXVIGGIGYKH-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117476;MM117476;CCC1(CCN)CO1;NENFZVVZURXQAN-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117477;MM117477;CCC1(CCO)CO1;ZPBHUESGOAJPFI-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117478;MM117478;CCC1(CCF)CO1;CMXITUNMVJTRFR-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117479;MM117479;CCCC1(CN)CO1;ISFDMHLWGFYLAS-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117480;MM117480;NCCC1(CN)CO1;KAPITLSSGKRMAJ-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117481;MM117481;NCC1(CCO)CO1;BUNMISNSGHWORH-UHFFFAOYSA-N;117.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117482;MM117482;NCC1(CCF)CO1;UVJXQURGJZTBPY-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117483;MM117483;CCCC1(CO)CO1;QSMCTMPLVLDTNL-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117484;MM117484;NCCC1(CO)CO1;OLNCMIWUVWNRJO-UHFFFAOYSA-N;117.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117485;MM117485;OCCC1(CO)CO1;PRGNCRUKQGSGRZ-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117486;MM117486;OCC1(CCF)CO1;RSACJIXWOVWARK-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117487;MM117487;OCCC1(CF)CO1;GGHFRSOYQQNFFE-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117488;MM117488;CCC1(CNC)CO1;VUIWUUMLTAYVMN-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117489;MM117489;CNCC1(CN)CO1;DCRKQFDEDPKIQX-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117490;MM117490;CNCC1(CO)CO1;OVTUVJKRBVINFE-UHFFFAOYSA-N;117.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117491;MM117491;CCC1(COC)CO1;MIPTZEJKLOXKHK-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117492;MM117492;COCC1(CN)CO1;CIDIFGRVEFRJMW-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117493;MM117493;C=CCC1(CC)CC1;JRHBIPYPRDZFMR-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117494;MM117494;CCC1(CC=O)CC1;KNTUWNADCZEKDA-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117495;MM117495;CCC1(CC#N)CC1;WWOXFWBTCAJBDM-UHFFFAOYSA-N;109.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117496;MM117496;C=CCC1(CN)CC1;JIQKVAHAPWEFQH-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117497;MM117497;CCC(=N)NC(=O)CO;QZQMQEBOSHHWTC-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117498;MM117498;O=CCC1(CO)CC1;PBAJZGBGENRXGV-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117499;MM117499;N#CCC1(CO)CC1;WYOMLUMUVAPMKE-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117500;MM117500;C=CCC1(CF)CC1;NLUXZPCROCTPBN-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117501;MM117501;O=CCC1(CF)CC1;NZGKPMGTSJTFRF-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117502;MM117502;N#CCC1(CF)CC1;QYGNTXHMISRRNL-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117503;MM117503;C=CCC1(NC)CC1;MCGFDVVEVSARCF-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117504;MM117504;CNC1(CC=O)CC1;OSPCROSHVCTAFJ-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117505;MM117505;C=CCC1(OC)CC1;PBDZKMSYEBEKPZ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117506;MM117506;COC1(CC=O)CC1;DGDYZOUQUNSCRF-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117507;MM117507;COC1(CC#N)CC1;IDSMTFJZCYPNBY-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117508;MM117508;CCC1(NC=N)CC1;XOYPEQPPNCETBE-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117509;MM117509;CC=CC(C=NO)=CN;QHTNZPOTCICHPC-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117510;MM117510;N=CNC1(CN)CC1;QVMNGABDUAEMTK-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117511;MM117511;NCC1(NC=O)CC1;VRJOGWUMZXOPPV-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117512;MM117512;N=CNC1(CO)CC1;WKTHPYGLVVIBAB-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117513;MM117513;O=CNC1(CO)CC1;VJWNCOUDKQPXGM-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117514;MM117514;N=CNC1(CF)CC1;ZEDVAAMTLKIFRO-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117515;MM117515;O=CNC1(CF)CC1;JHZNJTOIWZPAQQ-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117516;MM117516;C=NNC1(CC)CC1;SBMNBWAUKLGARF-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117517;MM117517;C=NNC1(CN)CC1;MQRDOBRJUDAGOQ-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117518;MM117518;C#Cc1cn(O)c(N)n1;NVHSMSUSLHJAMO-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117519;MM117519;C=COC1(CC)CC1;RAQJCOZBBMXCLV-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117520;MM117520;CCC1(OC=O)CC1;XLRDGDRZQVXZEG-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117521;MM117521;C=COC1(CN)CC1;XUISVUFHFBSPPE-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117522;MM117522;C=COC1(CO)CC1;AQOPCRMUAABBFO-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117523;MM117523;O=COC1(CO)CC1;MORIKHUSLJGDPM-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117524;MM117524;C=COC1(CF)CC1;INTGWWJMPAYODS-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117525;MM117525;C=NOC1(CC)CC1;LJQLSOBYAAYSJD-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117526;MM117526;C=NOC1(CN)CC1;QFIREVSYZAOGRM-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117527;MM117527;C=Cc1nc(O)c(N)[nH]1;ZGSPFYWGJZUUKE-UHFFFAOYSA-N;125.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117528;MM117528;C=NOC1(CF)CC1;VICWYIVBUPHWLG-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117529;MM117529;C=COC1(OC)CC1;NICUFVSFYIJSSF-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117530;MM117530;C=NOC1(OC)CC1;CZYGOPXSGBUYRP-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117531;MM117531;CCC1(CC#N)CN1;JFOMJHWELWKLAN-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117532;MM117532;C=CCC1(CN)CN1;TYWULXJAPUDQPW-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117533;MM117533;OCC1=CC(=NO)NC1;UFYZKXXJGRHFEZ-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117534;MM117534;C=CCC1(CF)CN1;ZHIXNAGDIWLQJC-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117535;MM117535;C=CCCCCC=NO;NAZKHAYSMUNVGV-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117536;MM117536;N#CCC1(CF)CN1;XOTYQWMFFNJNLF-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117537;MM117537;C=CCC1(CC)CO1;NNIFVRBSLBRFDB-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117538;MM117538;CCC1(CC=O)CO1;DIWITRRIVXLCBL-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117539;MM117539;CCC1(CC#N)CO1;DMEYFQOPAZXLGJ-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117540;MM117540;C=CCC1(CN)CO1;GSGBVPIQWUXDIR-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117541;MM117541;C=CCC1(CO)CO1;PETIEZCMHUUNJJ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117542;MM117542;O=CCC1(CO)CO1;UYPWNEHEKWHTKK-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117543;MM117543;N#CCC1(CO)CO1;AEPVQBHKRKREMU-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117544;MM117544;O=CCC1(CF)CO1;LQRHRICUROMBIA-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117545;MM117545;N#CCC1(CF)CO1;HUEXATLSBXFWNL-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117546;MM117546;C#CCC1(CC)CC1;YXOOWIDXHOORLO-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117547;MM117547;C#CCC1(CN)CC1;DKQVCWOJQQXZCM-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117548;MM117548;CC=CCCCC=NO;JZFIEKNVWQTOPL-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117549;MM117549;C#CCC1(CF)CC1;KNIRBLHRXTTZMX-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117550;MM117550;C#CCC1(NC)CC1;SHADQQUGZFONFL-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117551;MM117551;C#CCC1(OC)CC1;NBEDRGRTOGLGRE-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117552;MM117552;C#CCC1(CN)CN1;BHZKYFSLAVHICL-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117553;MM117553;C#CCC1(CF)CN1;YHRVLPVQYCCWFK-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117554;MM117554;C#CCC1(CC)CO1;NNLNPWPYKVFOAZ-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117555;MM117555;C#CCC1(CN)CO1;VHFIVBLOPHLWTD-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117556;MM117556;C#CCC1(CO)CO1;IQAZCFNIFDOIRJ-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117557;MM117557;C#CCC1(CF)CO1;YLQQSUFFMIMGHH-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117558;MM117558;C#CC1(CF)CC1C;DMIXVTAYARMYBE-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117559;MM117559;C#CC1(CC)CC1N;YHINVAYXBUKAQV-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117560;MM117560;CN=CN=CNC=NO;AOACGDOUWQGAPN-UHFFFAOYSA-N;128.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117561;MM117561;C=CC1(C(F)F)CC1;ROBCCTASCZWUNR-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117562;MM117562;C#CC1(C(F)F)CC1;XFKXPQUYCCCWMC-UHFFFAOYSA-N;116.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117563;MM117563;CCC(C)(C)C1CC1;RUDHBQWVPUSAAI-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117564;MM117564;CC(C)(CN)C1CC1;JWWPCAIWYXUIDW-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117565;MM117565;CC(=N)NC(=O)C#CCF;UHXDDEPFLZHAHR-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117566;MM117566;CC(C)(CF)C1CC1;PTIULGCHEKITNG-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117567;MM117567;CCC(C)(N)C1CC1;FZUODZMARWYKLI-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117568;MM117568;CC(N)(CN)C1CC1;JXECWUINHWCLRW-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117569;MM117569;CC(N)(CO)C1CC1;WDHUVSBQEHYCBZ-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117570;MM117570;CC(O)(CN)C1CC1;PSDJRLLXPKWQLH-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117571;MM117571;CNC(C)(C)C1CC1;DYSULHSSLYMAEP-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117572;MM117572;COC(C)(C)C1CC1;NGOGPSGCUQMYLH-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117573;MM117573;CC(C)(CN)C1CN1;LWEILZCSLLDIEC-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117574;MM117574;CCC(C)(N)C1CN1;LEMRNZJUDCLGPA-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117575;MM117575;CC(N)(CN)C1CN1;VRKDEQIZLDSACH-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117576;MM117576;CC(N)(CO)C1CN1;ZVFXYQUYQOFTQD-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117577;MM117577;CC(O)(CN)C1CN1;LETYOTNXVQKXEG-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117578;MM117578;CNC(C)(C)C1CN1;ZUKDZIIFBVBTHX-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117579;MM117579;CCC(C)(C)C1CO1;NLYCMIIXDASRDV-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117580;MM117580;CC(C)(CN)C1CO1;NHYYBQZALVJKEJ-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117581;MM117581;CC(C)(CO)C1CO1;FMSOMPFGGXYNKV-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117582;MM117582;CC(C)(CF)C1CO1;CTPXYOACFOMGIR-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117583;MM117583;CCC(C)(N)C1CO1;JGEXHGYXZQRQCN-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117584;MM117584;CC(N)(CN)C1CO1;RUPPMRZNTVTPKB-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117585;MM117585;CC(N)(CO)C1CO1;SCRHMFWMPWPDGS-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117586;MM117586;CCC(C)(O)C1CO1;JRUIZCDLBWKRMJ-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117587;MM117587;CC(O)(CN)C1CO1;QLCTXZMWMXIWGH-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117588;MM117588;CNC(C)(C)C1CO1;FCIHXTNRXPSKHS-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117589;MM117589;COC(C)(C)C1CO1;BZCSQFMLNGDSJH-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117590;MM117590;CC(C)(CN)N1CC1;KUHPWVYXKFYHNQ-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117591;MM117591;CC(C)(CF)N1CC1;KYDOPVSVPDVWHN-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117592;MM117592;C=CC(C)(C)C1CC1;SNVYXYNKSSCXDW-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117593;MM117593;CC(C)(C=O)C1CC1;JPFVGZCDZALHHO-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117594;MM117594;CC(C)(C#N)C1CC1;MVOFYFBLGIYYNJ-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117595;MM117595;C=CC(C)(N)C1CC1;YGNQSSPNDQEQGI-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117596;MM117596;CN(C)C=NOC(=O)NN;BJJUWAAOKUFFRX-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117597;MM117597;CC(O)(C#N)C1CC1;QZSDRCNPRWAUTO-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117598;MM117598;C=CC(C)(F)C1CC1;QWNBQLRELVHITC-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117599;MM117599;CC(F)(C#N)C1CC1;RQWBDXRJORQSPE-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117600;MM117600;N#CC(F)(F)C1CC1;SWIGMFXIFUQRBZ-UHFFFAOYSA-N;117.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117601;MM117601;CC(C)(C#N)C1CN1;SCHYACJYBHVANH-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117602;MM117602;C=CC(C)(N)C1CN1;RZZZZPRCCJHWPW-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117603;MM117603;CCC(=N)NC(=O)COC;GBWFIMXEIFQECD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117604;MM117604;CC(F)(C#N)C1CN1;ORSMPQHIQIPYPZ-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117605;MM117605;C=CC(C)(C)C1CO1;UTRWXESGVQOLAF-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117606;MM117606;CC(C)(C=O)C1CO1;MRPKRLQIYSOJSD-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117607;MM117607;CC(C)(C#N)C1CO1;FKUJIRWIAIEJLU-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117608;MM117608;C=CC(C)(O)C1CO1;BDOXZGXNQNOILT-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117609;MM117609;CC(O)(C#N)C1CO1;OSPYVRIVEWQHFD-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117610;MM117610;C=CC(C)(F)C1CO1;QROAADIEUTZKPS-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117611;MM117611;CC(C)(C=O)N1CC1;DGHVGBWUPOYNNH-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117612;MM117612;CC(C)(C#N)N1CC1;VKYUYYKTVKRGPC-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117613;MM117613;C#CC(C)(C)C1CC1;RIZYFRDWKXQNFS-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117614;MM117614;C#CC(C)(N)C1CC1;HOXUQNXPWIDOOZ-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117615;MM117615;C#CC(C)(O)C1CC1;TXBLNDNWPNEHKV-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117616;MM117616;C#CC(C)(F)C1CC1;BNROEOWQPKZZKC-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117617;MM117617;C#CC(C)(N)C1CN1;YTWNRBPFCLKDSB-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117618;MM117618;C#CC(C)(F)C1CN1;ASEKOIDFLQJYTA-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117619;MM117619;C#CC(C)(C)C1CO1;GEXKNRAKWBWHMN-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117620;MM117620;C#CC(C)(N)C1CO1;UXFMIHZFVQDPRI-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117621;MM117621;C#CC(C)(O)C1CO1;IGIHMPVKTLEPAO-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117622;MM117622;C#CC(C)(F)C1CO1;LLFHSGPUYPKDBN-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117623;MM117623;C#CC(C)(C)N1CC1;VEFJJLMLEBXOER-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117624;MM117624;CC1C(C)C(C)C1C;DOMPENMCTWZXEE-UHFFFAOYSA-N;112.22;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117625;MM117625;CC1C(C)C(N)C1C;MABCSMJTFIIDCY-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117626;MM117626;CNNC(=O)OC(=N)NO;PIBUSTCKLHCBAC-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117627;MM117627;CC1C(C)C(F)C1C;CIKXPRCTPZZMJI-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117628;MM117628;CC1C(C)C(N)C1N;SUDBFJBNUBBIST-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117629;MM117629;CC1C(C)C(O)C1N;GFASJEOWTRBXIJ-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117630;MM117630;CC1C(C)C(O)C1O;MNKDVAOSGUUSPG-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117631;MM117631;CC1C(C)C(F)C1O;VFDXQEKXJPVVTE-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117632;MM117632;CC1C(N)C(C)C1N;FSGNHVWPHUSFSP-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117633;MM117633;CC1C(N)C(N)C1N;YTOMUDNQICMCPT-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117634;MM117634;CC1C(N)C(O)C1N;NBCURJPLHFPMJM-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117635;MM117635;CC1C(N)C(C)C1O;MHKDSBHEKQJYOH-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117636;MM117636;CC1C(N)C(N)C1O;UXZINOUGWBIAHZ-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117637;MM117637;CC1C(N)C(O)C1O;SHRRJVLHCFVTBE-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117638;MM117638;CC1C(N)C(F)C1O;HBERQKNVUZZCHN-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117639;MM117639;CC1C(N)C(C)C1F;ZKPRNEPJDXIJBG-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117640;MM117640;CC1C(N)C(N)C1F;REVGEIITCSUNCV-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117641;MM117641;CC1C(O)C(C)C1O;DXEHRPYIAJFYJW-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117642;MM117642;CC1C(O)C(N)C1O;MSHCHWSIRUSJFO-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117643;MM117643;CC1C(O)C(O)C1O;SJPXEDHUYYCESI-UHFFFAOYSA-N;118.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117644;MM117644;CC1C(O)C(N)C1F;KQJCPCSLWZDWHT-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117645;MM117645;CC1C(O)C(O)C1F;JRQDOPYMACBRDU-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117646;MM117646;CC1C(F)C(C)C1F;VFHWDWCYIKEUAU-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117647;MM117647;NC1C(N)C(N)C1N;HMABTXRDXYGRAC-UHFFFAOYSA-N;116.17;-2.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117648;MM117648;NC1C(N)C(O)C1N;KDMXOIWBZPJTBM-UHFFFAOYSA-N;117.15;-2.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117649;MM117649;NC1C(O)C(N)C1O;DRWHZBBWDPNHIG-UHFFFAOYSA-N;118.14;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117650;MM117650;CC1C(C)N(C)C1C;ITEXNWYABOHCPB-UHFFFAOYSA-N;113.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117651;MM117651;CC1C(N)C(C)N1C;VPMDSYKFIUUBNF-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117652;MM117652;CC1C(F)C(C)N1C;RACBUNMFIRSQGA-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117653;MM117653;CC1C(=O)C(C)C1C;HEWCIWNIRYRQJA-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117654;MM117654;CC1C(=O)C(O)C1C;GVPHAHRLRLMBJQ-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117655;MM117655;CC1C(=O)C(F)C1C;JNTSXWJDMICMTN-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117656;MM117656;CC1C(O)C(=O)C1O;WEZVUQNFWQYAET-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117657;MM117657;CC1C(O)C(=O)C1F;ZEYCAKZCZAWGCS-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117658;MM117658;CC1C(F)C(=O)C1F;KIMAEDGXPGKNCO-UHFFFAOYSA-N;120.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117659;MM117659;CC1C(=O)C(F)C1O;KCDGMASZPQYPKD-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117660;MM117660;CC1C(=O)C(F)C1F;KHYZOUZSVLJHFH-UHFFFAOYSA-N;120.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117661;MM117661;O=C1C(O)C(F)C1O;YXFIPQNICQZNLH-UHFFFAOYSA-N;120.08;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117662;MM117662;CC1C(=O)N(C)C1C;CKUCFHQOPXMLMM-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117663;MM117663;CC1C(=O)N(N)C1C;YEWMEHVNFVWVNF-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117664;MM117664;CC1C(O)C(=O)N1C;QXENGQMITRRRBT-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117665;MM117665;C#CC(F)=CC(=O)NNC;UUYVFLPRNJYCKZ-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117666;MM117666;CC1C(=O)C(C)N1C;WKMJHPHMUGEBAJ-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117667;MM117667;CN1CCC(F)CC1;JZTHADLNXYYKRA-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117668;MM117668;CN1CCN(C)CC1;RXYPXQSKLGGKOL-UHFFFAOYSA-N;114.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117669;MM117669;N=C1CCC(F)CN1;QWXULJQPLYMQEP-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117670;MM117670;O=C1CCC(F)CN1;STMMVGPLMQFHLS-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117671;MM117671;O=C1CCC(O)CO1;IHQMTBUROQWHDL-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117672;MM117672;C=C1CCC(F)CO1;RNCWYAXRKAJULY-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117673;MM117673;O=C1CCC(F)CO1;KSOFHDFAWJQOEF-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117674;MM117674;C=C1CCN(C)CC1;XOLRMKKIFJFIOV-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117675;MM117675;C=C1CCC(=C)CC1;JPBHXVRMWGWSMX-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117676;MM117676;C=C1CCC(=O)CC1;SDJWUMGNEHCWOH-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117677;MM117677;O=C1CCC(=O)CC1;DCZFGQYXRKMVFG-UHFFFAOYSA-N;112.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117678;MM117678;C=C1CCC(=N)NC1;CTTJIFJSTYJMSG-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117679;MM117679;C=C1CCC(=O)NC1;PVSSEMMPUSNWLU-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117680;MM117680;C=C1CCC(=C)OC1;KSWQQJGHJPHNMG-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117681;MM117681;C=C1CCC(=O)OC1;VHPHAXFRLQPAEU-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117682;MM117682;O=C1CCC(=O)OC1;GYHJUGYOSOGTKF-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117683;MM117683;N=C1CCC(=N)NN1;VKIWTWNMTRFOPG-UHFFFAOYSA-N;112.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117684;MM117684;N=C1CCC(=O)NN1;PGFFHSHBFUIBAC-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117685;MM117685;O=C1CCC(=O)NN1;RNCAJLLRSYSZAM-UHFFFAOYSA-N;114.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117686;MM117686;O=C1CCC(=O)ON1;WCCMTFDAICCDFF-UHFFFAOYSA-N;115.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117687;MM117687;OC1C=CC(O)CC1;FDODVZVWGKVMBO-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117688;MM117688;OC1C=CC(F)CC1;ZTOYGPSRBQUBHF-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117689;MM117689;FC1C=CC(F)CC1;WDECYBSOEULGNY-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117690;MM117690;CC(=N)NC(=O)N(C)C=O;YPMPAFLDMIQEHL-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117691;MM117691;C=C1C=CC(F)CC1;LFXXYINWJGCXDN-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117692;MM117692;CC(=O)NC(=O)C(=N)NN;SIGDCMMGZKHJMM-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117693;MM117693;C=C(F)CN(N)C(C)=NO;JAEKBZXJWSFMOS-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117694;MM117694;NN(C=NO)CCC=CF;PKJAYPIKFRWQSA-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117695;MM117695;CCCC#CC(=O)NC=N;TUBYWXFDFZAVCH-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117696;MM117696;O=C1CCN(O)C=N1;NSQWLVWECTYEIJ-UHFFFAOYSA-N;114.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117697;MM117697;C=C1C=NN(C)CC1;UVFMALGOJTZFIT-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117698;MM117698;N=CNC(=O)C#CCCO;CHAFKDXZKIMXRH-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117699;MM117699;C=C1C=CC(=C)CC1;GOIBJQQFFGPJOI-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117700;MM117700;C=C1C=CC(=O)CC1;HKXCSLFSPLVQST-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117701;MM117701;Nc1ccc(=O)[nH]n1;MMZLICVOTDAZOX-UHFFFAOYSA-N;111.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117702;MM117702;C#CCC#CC(=O)NC=N;ZVNPCPKQVXZTLF-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117703;MM117703;N=CNC(=O)C(O)C=NN;NAOPPTLFGRZZJH-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117704;MM117704;N#CCN=c1[nH]c(=O)[nH]o1;QIOZRHMJCBPNFJ-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117705;MM117705;NC(=O)C(CF)=NO;YPAIGYISANMBOQ-UHFFFAOYSA-N;120.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117706;MM117706;N=c1nnc(=O)[nH]o1;OEUAMSXXYKCBRT-UHFFFAOYSA-N;114.06;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117707;MM117707;O=c1nnc(=O)o[nH]1;VMOQJWAMPAEFOK-UHFFFAOYSA-N;115.05;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117708;MM117708;CC1=CCC(C)CC1;KMGDYKOGDOVDCW-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117709;MM117709;CC1=CCN(C)CC1;RRXMFAUGACOEAH-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117710;MM117710;C=C1CC=C(C)CC1;WFJMIDBEVBKQEU-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117711;MM117711;C=C1CC=C(F)CC1;POXLDRBVVCHLAK-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117712;MM117712;CC1=CCC(=O)CC1;POKCGQXKNIJLCR-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117713;MM117713;O=C1CC=C(F)CC1;GBVMZTDZKVWDIM-UHFFFAOYSA-N;114.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117714;MM117714;CC1=CNC(=N)CC1;KTCOOLZRZKUROX-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117715;MM117715;N=C1CCC(F)=CN1;KJGUUSQXBAMTGW-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117716;MM117716;CC1=CNC(=O)CC1;AYVIIWXJYORYKK-UHFFFAOYSA-N;111.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117717;MM117717;O=C1CCC(F)=CN1;KOFNZNQVNKIUNA-UHFFFAOYSA-N;115.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117718;MM117718;CC1=NNC(=O)CC1;VOTFXESXPPEARL-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117719;MM117719;C=C1CCC(C)=CO1;PBFSHZQLFMHPKL-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117720;MM117720;C=C1CCC(F)=CO1;GRUIFBZMGKLHMG-UHFFFAOYSA-N;114.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117721;MM117721;CC1=COC(=O)CC1;CLWFDVKYBIOIOC-UHFFFAOYSA-N;112.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117722;MM117722;O=C1CCC(F)=CO1;GDGCRCDHZQJHNH-UHFFFAOYSA-N;116.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117723;MM117723;CC1=NOC(=O)CC1;JFKDYVFMJXJYGH-UHFFFAOYSA-N;113.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117724;MM117724;Cn1ccc(=O)cc1;OYPBUQASUUMJKG-UHFFFAOYSA-N;109.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117725;MM117725;Nn1ccc(=O)cc1;OIGKIANOYPIEQJ-UHFFFAOYSA-N;110.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117726;MM117726;Cn1ccc(=N)nc1;XWNRDCPFRULYMM-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117727;MM117727;Cn1ccc(=O)nc1;NWLPRJINWFMRHH-UHFFFAOYSA-N;110.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117728;MM117728;N=c1ccn(N)cn1;XJKBVSXYCAGAFU-UHFFFAOYSA-N;110.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117729;MM117729;Nn1ccc(=O)nc1;SFDXLTOATHQSPM-UHFFFAOYSA-N;111.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117730;MM117730;O=c1ccn(O)cn1;ZBBCMFUNRBNAMI-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117731;MM117731;Cn1cnc(=O)nc1;AZIRIQMFEDMJJB-UHFFFAOYSA-N;111.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117732;MM117732;CCC(N)=CC(=NO)NO;BPBZIOUVXYQMQN-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117733;MM117733;Cn1ccc(=N)nn1;WSWPJYFPLUMTEF-UHFFFAOYSA-N;110.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117734;MM117734;Cn1ccc(=O)nn1;XLENBPMWEPURKH-UHFFFAOYSA-N;111.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117735;MM117735;N=c1ccn(N)nn1;YBVLMRLLHNXCGC-UHFFFAOYSA-N;111.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117736;MM117736;Nn1ccc(=O)nn1;WEICXSKUYCSBSU-UHFFFAOYSA-N;112.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117737;MM117737;N=c1ccn(O)nn1;YQQLGDQNKRJQON-UHFFFAOYSA-N;112.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117738;MM117738;O=c1ccn(O)nn1;NEOTXNKILWJNSA-UHFFFAOYSA-N;113.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117739;MM117739;Cn1cnc(=N)nn1;NQSUXIWZLCFYMK-UHFFFAOYSA-N;111.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117740;MM117740;Cn1cnc(=O)nn1;DEEPIGUHQHFVPT-UHFFFAOYSA-N;112.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117741;MM117741;N=c1ncn(N)nn1;MPHDJIOXJYJZRK-UHFFFAOYSA-N;112.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117742;MM117742;Nn1cnc(=O)nn1;LEHXVVOUAYMSQB-UHFFFAOYSA-N;113.08;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117743;MM117743;N=c1ncn(O)nn1;DXFKVJAXTMXVII-UHFFFAOYSA-N;113.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117744;MM117744;O=c1ncn(O)nn1;XEUDUXCQZFWAAM-UHFFFAOYSA-N;114.06;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117745;MM117745;Cn1ncc(=N)nn1;RHQVCHLJGNAAGR-UHFFFAOYSA-N;111.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117746;MM117746;Cn1ncc(=O)nn1;LCIVDXKJFHULRI-UHFFFAOYSA-N;112.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117747;MM117747;C=c1ccc(=C)cc1;NRNFFDZCBYOZJY-UHFFFAOYSA-N;104.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117748;MM117748;O=C1C=NC(=O)N=C1;DJSUEEHBHIPLDE-UHFFFAOYSA-N;110.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117749;MM117749;Cc1cnc(=N)on1;WSMIOROXZMDWAO-UHFFFAOYSA-N;111.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117750;MM117750;N=c1ncc(F)no1;NMOJVKNBTMYMCU-UHFFFAOYSA-N;115.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117751;MM117751;Cc1cnc(=O)on1;IHYKRSVQFMPGRC-UHFFFAOYSA-N;112.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117752;MM117752;O=c1ncc(F)no1;RJHGMSFSROILOY-UHFFFAOYSA-N;116.05;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117753;MM117753;CC1=CC=C(C)CC1;WTCPAFWUNFLPEW-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117754;MM117754;CC1=CC=C(F)CC1;PQSYFJQSBZQZOI-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117755;MM117755;FC1=CC=C(F)CC1;ZUBUQSMPWFELSH-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117756;MM117756;CC1=NN=C(C)CC1;BFUIDAOPFCQKFD-UHFFFAOYSA-N;110.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117757;MM117757;C#CC(O)(C=O)CN1CC1;FNWSQVJGHBBZQD-UHFFFAOYSA-N;139.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117758;MM117758;NC12CCC(C1)C2O;FCRZLXABWIVXIM-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117759;MM117759;NC1C2CCC1(O)C2;AYWPKKMQVDGNGA-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117760;MM117760;CC12CNC(C1)C2O;ZDBBECCULAFKAO-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117761;MM117761;OC1C2CC1(O)CN2;WQHDVKNAILOIOD-UHFFFAOYSA-N;115.13;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117762;MM117762;NC1C2CC1(F)CN2;PYEUVAXNRFVPHB-UHFFFAOYSA-N;116.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117763;MM117763;NC1C2CC1(O)CO2;CJEGXLGGFCNASM-UHFFFAOYSA-N;115.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117764;MM117764;CC1N2CCC1(C)C2;YHDYEZADSORNPS-UHFFFAOYSA-N;111.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117765;MM117765;CC12CCC(C1)C2=O;QPSSRPWPQVXKTR-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117766;MM117766;O=C1C2CCC1(O)C2;CIUURYDIVORMGO-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117767;MM117767;O=C1C2CCC1(F)C2;CVUSYXNKUXMOGR-UHFFFAOYSA-N;114.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117768;MM117768;CC12CNC(C1)C2=O;ZXDPXAAHQSPCDL-UHFFFAOYSA-N;111.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117769;MM117769;CC12COC(C1)C2=O;DDPRBTBYNDOJNW-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117770;MM117770;O=C1C2CC1(O)CO2;HNQXFNDXBJGEQC-UHFFFAOYSA-N;114.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117771;MM117771;O=C1C2CC1(F)CO2;ORPUFXOVZPMGBE-UHFFFAOYSA-N;116.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117772;MM117772;CC12CC(CO1)C2=O;AZSPJGRNJJOOMJ-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117773;MM117773;NC12C=CC(C1)C2F;CASVRZKTIYLAFA-UHFFFAOYSA-N;113.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117774;MM117774;CC12C=CC(C1)C2=O;AIVDTKPYNKSQDW-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117775;MM117775;O=C1C2C=CC1(O)C2;YPJNWUTXCSXCLY-UHFFFAOYSA-N;110.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117776;MM117776;O=C1C2C=CC1(F)C2;COWKLGYBSDDCSQ-UHFFFAOYSA-N;112.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117777;MM117777;CC1CCC2(C)CC12;AMQAOZUAOMNPKF-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117778;MM117778;CC12CCC(N)C1C2;JGCCXFNBSXIFRJ-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117779;MM117779;CC1CCC2(N)CC12;FEABSDLGSVRINP-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117780;MM117780;NC1CCC2(N)CC12;DFYFOSRFOOTDGH-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117781;MM117781;NC12CCC(O)C1C2;BWRGVPXOVXTACU-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117782;MM117782;CC1CCC2(F)CC12;IPRZWJRGCORVIF-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117783;MM117783;NC1CCC2(F)CC12;HLEVMKWVOXFOAT-UHFFFAOYSA-N;115.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117784;MM117784;CC1NCC2(C)CC12;MSDKDYPKOHAFGN-UHFFFAOYSA-N;111.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117785;MM117785;CC1NCC2(N)CC12;PMSWFODTNRBOEW-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117786;MM117786;CC1NCC2(O)CC12;HFUFVGYVPDVWIG-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117787;MM117787;CC1NCC2(F)CC12;WLTAFNIWPRQSQD-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117788;MM117788;CC1OCC2(C)CC12;AXRUBWBQFVLELS-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117789;MM117789;CC1OCC2(N)CC12;FVRPXCXNZCJIDO-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117790;MM117790;CC1OCC2(O)CC12;OVUURDDTAHNQNZ-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117791;MM117791;CC1OCC2(F)CC12;YCJXMEXLDNWBFO-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117792;MM117792;CC1CNC2(C)CC12;DZSCOLWTSHHVCD-UHFFFAOYSA-N;111.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117793;MM117793;CC12CC1C(N)CN2;RSZMRIWOMYRROQ-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117794;MM117794;CC12CC1C(O)CN2;SXZJPHXKABXNAR-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117795;MM117795;CC12CC1C(F)CN2;LPWTZTUJWQBECF-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117796;MM117796;CC1COC2(C)CC12;BCQMYUYRIZMZQN-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117797;MM117797;CC12CC1C(N)CO2;SAMLOUQCDIQELI-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117798;MM117798;CC12CC1C(O)CO2;QGNYHOMQDRVATC-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117799;MM117799;CC12CC1C(F)CO2;OCYCFGOHVUNXJA-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117800;MM117800;CN1CCC2(C)CC12;VVAVAGMIBLVKRA-UHFFFAOYSA-N;111.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117801;MM117801;CN1CCC2(O)CC12;XOHATVOYVIZGKU-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117802;MM117802;C=C1CNC2(C)CC12;SMOGBDRGLVBVQO-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117803;MM117803;CC12CC1C(=N)NN2;DYDOOXSKYKOYDK-UHFFFAOYSA-N;111.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117804;MM117804;CC12CC1C(=O)NN2;YSWIYINSIOUHEQ-UHFFFAOYSA-N;112.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117805;MM117805;C=C1COC2(C)CC12;ANCLBCVRLQRGCP-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117806;MM117806;CC12CC1C(=O)CO2;SZZQGALHBZEJOM-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117807;MM117807;CC12CC1C(=N)NO2;QTTFHQUPGBHSOT-UHFFFAOYSA-N;112.13;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117808;MM117808;C=C1CCC2(C)OC12;PUXHBMNVXOYVFA-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117809;MM117809;CC12CCC(=N)N1C2;KCWSUZUYFPNPLJ-UHFFFAOYSA-N;110.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117810;MM117810;CC12CCC(=O)N1C2;BZUBITFFGHPIOS-UHFFFAOYSA-N;111.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117811;MM117811;CCNNC(=O)C#CCO;XOVLRQSBIBJRPA-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117812;MM117812;CN1N=CC2(F)CC12;QCYFIWPHSDGHOC-UHFFFAOYSA-N;114.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117813;MM117813;CN1C=NC2(C)CC12;LKLFJZCOJGMSGE-UHFFFAOYSA-N;110.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117814;MM117814;CC(=CC=NO)CC=NN;CWXRMHJKEDUGKK-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117815;MM117815;C=C1C=CC2(C)CC12;USZSTQZMVHIARA-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117816;MM117816;CC12C=CC(=O)C1C2;YLPWCOUTZBTATO-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117817;MM117817;C=C1C=CC2(N)CC12;DKFUTTLOOHRIKB-UHFFFAOYSA-N;107.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117818;MM117818;CC=CN=CNC(=O)NN;LYJKFJPWSLZGKM-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117819;MM117819;O=C1C=CC2(O)CC12;QKAGTIQFWUICGC-UHFFFAOYSA-N;110.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117820;MM117820;C=C1C=CC2(F)CC12;VUDLQQPVHAKJAT-UHFFFAOYSA-N;110.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117821;MM117821;O=C1C=CC2(F)CC12;XAGABWDPKNYXHP-UHFFFAOYSA-N;112.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117822;MM117822;CCC1CC(CC)C1;PXTDDNSMRQBQJL-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117823;MM117823;CCC1CC(CN)C1;LUZPMQHHHUOGDF-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117824;MM117824;CNN(C=CCO)C=NO;KKAWGSRRFFOBGG-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117825;MM117825;CCC1CC(CF)C1;QALQWYAZWJDHBV-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117826;MM117826;NCC1CC(CN)C1;QVWAWEVQPGGJEU-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117827;MM117827;NCC1CC(CO)C1;MWOHKMZOEUQKBH-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117828;MM117828;NCC1CC(CF)C1;XJUXHVPGYRNYFP-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117829;MM117829;C=NN(C=O)C(=O)NNC;HTOMXVBKMNCONU-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117830;MM117830;C=CCC1=NNC(=NC)C1;BLDFRUCALBEWNR-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117831;MM117831;FCC1CC(CF)C1;QSLUADPXLMNXLR-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117832;MM117832;CCC1CC(NC)C1;BPYKVHJMXUDODA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117833;MM117833;CNC1CC(CN)C1;IFQWBKSTQHWGHH-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117834;MM117834;CNC1CC(CO)C1;LXXIHOWGNXTMOG-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117835;MM117835;CNC1CC(CF)C1;QEBQVOSQZYELLS-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117836;MM117836;CCC1CC(OC)C1;XDRYLAQWSPHJLD-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117837;MM117837;COC1CC(CN)C1;CJUZEDMZPGYKFB-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117838;MM117838;COC1CC(CO)C1;XIICKNMLKKNTGN-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117839;MM117839;COC1CC(CF)C1;VXFUHAGZXKQMGH-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117840;MM117840;CNC1CC(NC)C1;LOVQZRHQFCFGEM-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117841;MM117841;CNC1CC(OC)C1;XBSDJXNXYCRWDX-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117842;MM117842;COC1CC(OC)C1;UPDXGFLUQDMOGB-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117843;MM117843;CCC1CC(CC)N1;VMAKBQCFVNDAPF-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117844;MM117844;CCC1CC(CN)N1;BVOYHQMBCSAQSF-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117845;MM117845;CCC1CC(CO)N1;DFSJPMZAAFUGMZ-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117846;MM117846;CCC1CC(CF)N1;KYYCRVQVTWCRED-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117847;MM117847;NCC1CC(CN)N1;VABLXHAZAZGIKH-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117848;MM117848;NCC1CC(CO)N1;PYYKFOXSISCXFM-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117849;MM117849;NCC1CC(CF)N1;FYFGJRJMUJADEX-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117850;MM117850;OCC1CC(CO)N1;RVXDNESKZYUPKO-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117851;MM117851;OCC1CC(CF)N1;YZDOEMRLOCHKIU-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117852;MM117852;CCC1CC(CC)O1;QGJUXWHELNXARI-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117853;MM117853;CCC1CC(CN)O1;ZXJBQWYATXVCAD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117854;MM117854;CCC1CC(CO)O1;MOZXQXXDKCNEQN-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117855;MM117855;CCC1CC(CF)O1;XIKJICAIGIQXEH-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117856;MM117856;NCC1CC(CN)O1;VBOJGWWSHCIPOM-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117857;MM117857;NCC1CC(CO)O1;KLGNQMJXLWJNPC-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117858;MM117858;NCC1CC(CF)O1;RAPJITNVUHWBKC-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117859;MM117859;OCC1CC(CO)O1;KBALIXASWISNSL-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117860;MM117860;OCC1CC(CF)O1;PPCLCUFLGFJCJH-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117861;MM117861;FCC1CC(CF)O1;NUZCQXLLBILOCN-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117862;MM117862;CCC1CN(CC)C1;URFACVFKZBBUNR-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117863;MM117863;CCN1CC(CN)C1;JEPWLORERBTIOD-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117864;MM117864;CCN1CC(CO)C1;XZCAVLNFEPTZLO-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117865;MM117865;CCN1CC(CF)C1;HCSPDFCGTNGHCF-UHFFFAOYSA-N;117.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117866;MM117866;CCN1CC(NC)C1;HJDIUAQBHNEVMX-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117867;MM117867;C=CC1CC(CC)C1;ROYYWFUOAWMZCR-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117868;MM117868;CCC1CC(C=O)C1;AFRINSHOBQKVMN-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117869;MM117869;CCC1CC(C#N)C1;OGEGSSBDBOLZQU-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117870;MM117870;C=CC1CC(CN)C1;HHPHHCBNPFGMOE-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117871;MM117871;C=C(NC=O)NC=NO;UEUKOCPRALPMTM-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117872;MM117872;NC(C#CCC=O)=NO;HOMDWFHQARJPAG-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117873;MM117873;ON=C(NO)NC=CF;UPKPAPXWQJNUNZ-UHFFFAOYSA-N;135.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117874;MM117874;C=CC1CC(CF)C1;APTHTLGBENBLEV-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117875;MM117875;O=CC1CC(CF)C1;ZKIRNIRVFNSVRB-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117876;MM117876;N#CC1CC(CF)C1;LCPVTZDYMRIEOQ-UHFFFAOYSA-N;113.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117877;MM117877;C=CC1CC(NC)C1;ZAASXUGSDVUHTL-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117878;MM117878;CNC1CC(C=O)C1;AQNIKUPGCNEFKE-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117879;MM117879;CNC1CC(C#N)C1;JMQJVRVHEQMOIR-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117880;MM117880;C=CC1CC(OC)C1;FIDFDQCGXMFOCF-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117881;MM117881;COC1CC(C=O)C1;RUVFLEQPWIRGQS-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117882;MM117882;COC1CC(C#N)C1;BQOOGEUFVPSNRE-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117883;MM117883;C=CC1CC(CC)N1;HTJIDIORWIYADL-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117884;MM117884;CCC1CC(C=O)N1;FVNYETQAYOMLNP-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117885;MM117885;CCC1CC(C#N)N1;VWNQDBIILJQWRI-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117886;MM117886;C=CC1CC(CN)N1;RJAIFGFVPXZRLN-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117887;MM117887;C=CC1CC(CO)N1;BWTHJYXXTUQCRG-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117888;MM117888;C=CC(C)(C)CCC=NO;CYKWPKWBNXJQQU-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117889;MM117889;C=CC1CC(CF)N1;ZJOVMUDYJSZQIH-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117890;MM117890;N#CC1CC(CF)N1;XURMVSOUMWSZBZ-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117891;MM117891;C=CC1CC(CC)O1;ZROZGTDRXYBSSP-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117892;MM117892;CCC1CC(C=O)O1;SNDDXXDRENSSTD-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117893;MM117893;CCC1CC(C#N)O1;VARGHDPGTJEXGS-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117894;MM117894;C=CC1CC(CN)O1;LPISHHBDJBRZMS-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117895;MM117895;C=CC1CC(CO)O1;WVDZMUMGPAZRNF-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117896;MM117896;O=CC1CC(CO)O1;XHVSGCGULXKEQZ-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117897;MM117897;N#CC1CC(CO)O1;BDNRMZGSURGXRG-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117898;MM117898;C=CC1CC(CF)O1;NARBYVGZPVGUHM-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117899;MM117899;O=CC1CC(CF)O1;QNFDTLFYMPVYDO-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117900;MM117900;N#CC1CC(CF)O1;XQMBAIAYXKNHSO-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117901;MM117901;CCC1CN(C=N)C1;ZOSIHHGPAWQOBF-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117902;MM117902;CCC1CN(C=O)C1;ABYHKUPLMGNYJM-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117903;MM117903;N=CN1CC(CN)C1;RBLIAYKWNFMSRS-UHFFFAOYSA-N;113.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117904;MM117904;NCC1CN(C=O)C1;FWOYRHTXYRWUTP-UHFFFAOYSA-N;114.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117905;MM117905;N=CN1CC(CO)C1;FDBJCFCSNIONQE-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117906;MM117906;O=CN1CC(CO)C1;APJWXGFURWAAAR-UHFFFAOYSA-N;115.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117907;MM117907;N=CN1CC(CF)C1;REZASOXMNMVFDK-UHFFFAOYSA-N;116.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117908;MM117908;O=CN1CC(CF)C1;YNOQDCLBFGUZAE-UHFFFAOYSA-N;117.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117909;MM117909;C=NN1CC(CC)C1;YKGBOURHOPXDBM-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117910;MM117910;C=NN1CC(CN)C1;ANDRXXLOLJIZPF-UHFFFAOYSA-N;113.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117911;MM117911;CNNC(=O)NOC(N)=O;NCJIMQOEAPHWML-UHFFFAOYSA-N;148.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117912;MM117912;C=NN1CC(CF)C1;XXZPUESHPQUWFR-UHFFFAOYSA-N;116.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117913;MM117913;CNC1CN(C=N)C1;GGXCKSFBPFBWQM-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117914;MM117914;CNC1CN(C=O)C1;PCLCZXKXEUSCHK-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117915;MM117915;COC1CN(C=N)C1;IBONLCREYWZVMO-UHFFFAOYSA-N;114.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117916;MM117916;COC1CN(C=O)C1;PQXVMEVPQIXYQE-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117917;MM117917;C=NN1CC(OC)C1;GUKWTPORJZOOTH-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117918;MM117918;C=CC1CN(CC)C1;XYBFMRXTEQJKPA-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117919;MM117919;CCN1CC(C#N)C1;BLOWQHRGVQJQJP-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117920;MM117920;C#CC1CC(CC)C1;CCKKXNQZBDAINO-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117921;MM117921;C#CC1CC(CN)C1;OKELRBQUDBLQEK-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117922;MM117922;CC(=NO)NC(=N)C=NN;MQWMEUFZQSDOCD-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117923;MM117923;C#CC1CC(CF)C1;GOKMQVDMHWTDCW-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117924;MM117924;C#CC1CC(NC)C1;PJAQIUYICPECEN-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117925;MM117925;C#CC1CC(OC)C1;HKRVWOQUUFHOMA-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117926;MM117926;C#CC1CC(CC)N1;YGPQWLBAJCSDDS-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117927;MM117927;C#CC1CC(CN)N1;IAXZVUFQKAMPTI-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117928;MM117928;C#CC1CC(CO)N1;XCJQPGICQRVDPS-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117929;MM117929;C#CC1CC(CC)O1;ZLMWYTOCDMCJSC-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117930;MM117930;C#CC1CC(CN)O1;PEQPUVGRSUSCFC-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117931;MM117931;C#CC1CC(CO)O1;CDSGFYULKSBIJR-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117932;MM117932;C=CC1CC(C=C)C1;AATSALLMQGUKIE-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117933;MM117933;C=CC1CC(C=O)C1;OVBQUNRIWRZVGE-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117934;MM117934;C=CC1CC(C#N)C1;OWQGFXUDWYAIAH-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117935;MM117935;O=CC1CC(C=O)C1;FDKPKAMUQMKUOA-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117936;MM117936;N#CC1CC(C=O)C1;OVTBCTJEUJKOBK-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117937;MM117937;N#CC1CC(C#N)C1;DCXZLBAXIGEGMA-UHFFFAOYSA-N;106.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117938;MM117938;C=CC1CC(C=C)N1;RZCRPWHMYDGKQJ-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117939;MM117939;C=CC1CC(C#N)N1;YWFSUVPNNKLECR-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117940;MM117940;CNC(=NC(C)=O)NC=O;QMSITEVWBUZRON-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117941;MM117941;N#CC1CC(C#N)N1;ZXUSXELLNGHGFT-UHFFFAOYSA-N;107.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117942;MM117942;C=CC1CC(C=C)O1;WWNMCPPOHXAQMM-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117943;MM117943;C=CC1CC(C=O)O1;MXIRWFMAHPXJKC-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117944;MM117944;C=CC1CC(C#N)O1;VDZRLCFLCZMFMG-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117945;MM117945;O=CC1CC(C=O)O1;RZWBFXRUMADUBM-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117946;MM117946;N#CC1CC(C=O)O1;CSQBNUHIUMGWAG-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117947;MM117947;N#CC1CC(C#N)O1;SXNCVVPZGJCZNL-UHFFFAOYSA-N;108.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117948;MM117948;C=CC1CN(C=N)C1;DZQYBMWOHPLXBK-UHFFFAOYSA-N;110.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117949;MM117949;C=CC1CN(C=O)C1;RADGBRBDZWUPLH-UHFFFAOYSA-N;111.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117950;MM117950;N=CN1CC(C=O)C1;LLWHEZWRUJJAQY-UHFFFAOYSA-N;112.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117951;MM117951;N#CC1CN(C=N)C1;GUBAXNSEOSYZNO-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117952;MM117952;CC=CC(C)=C(C)C=NO;BDJISIQGPJPCJB-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117953;MM117953;N#CC1CN(C=O)C1;ULUJWWCVFOXJIU-UHFFFAOYSA-N;110.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117954;MM117954;C=CC1CN(N=C)C1;JXAYVIPBCDVLPQ-UHFFFAOYSA-N;110.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117955;MM117955;CCNC(=NC=O)NC=O;OIVSXEASZSRJSS-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117956;MM117956;C=NN1CC(C#N)C1;SVXWQNDIRQHYOB-UHFFFAOYSA-N;109.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117957;MM117957;C#CC1CC(C=C)C1;SOGUWMUXEXAKCW-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117958;MM117958;C#CC1CC(C=O)C1;DTISJFXWOLXTKJ-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117959;MM117959;C#CC1CC(C#N)C1;XQJXWVRDTFUEAT-UHFFFAOYSA-N;105.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117960;MM117960;C#CC1CC(C=C)N1;SSHSAFHNMAFDAJ-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117961;MM117961;C#CC1CC(C#N)N1;VDPTVJQDHCVNFT-UHFFFAOYSA-N;106.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117962;MM117962;C#CC1CC(C=C)O1;CIBKNSNAJTUMAN-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117963;MM117963;C#CC1CC(C=O)O1;RHDFCCIAUNWWEP-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117964;MM117964;C#CC1CC(C#N)O1;DTKMSJCDNBXKJC-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117965;MM117965;C#CC1CN(C=N)C1;JBHCJMGTBNALCC-UHFFFAOYSA-N;108.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117966;MM117966;C#CC1CN(C=O)C1;WXVZMRWJNBHIJQ-UHFFFAOYSA-N;109.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117967;MM117967;C#CC1CN(N=C)C1;OWGJWNXRFLYLCS-UHFFFAOYSA-N;108.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117968;MM117968;C#CC1CC(C#C)C1;BPGLJNLYQPEYCQ-UHFFFAOYSA-N;104.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117969;MM117969;C#CC1CC(C#C)O1;DVNYYJOAGXEDSE-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117970;MM117970;CCC1CCC(C)C1;PQXAPVOKLYINEI-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117971;MM117971;CC1CCC(CN)C1;KVGLUIXQRLCKPF-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117972;MM117972;C=C(CF)NC(CC)=NO;FGDIRNRNNWOCCZ-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117973;MM117973;CC1CCC(CF)C1;YDIXSXGYRFBHRT-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117974;MM117974;CCC1CCC(N)C1;BVEDHGPLGJDENJ-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117975;MM117975;NCC1CCC(N)C1;MNDXKVQSJKCFPM-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117976;MM117976;NC1CCC(CO)C1;HVQDOKDLGGYIOY-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117977;MM117977;NC1CCC(CF)C1;MMIAVAWXMGFPKW-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117978;MM117978;C=C(CO)N(N)C(C)=NO;BLQWUYLMZNXBDW-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117979;MM117979;NCC1CCC(O)C1;NUBNZASXRSXFRW-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117980;MM117980;OCC1CCC(O)C1;ZBAXTIFHKIGLEJ-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117981;MM117981;OC1CCC(CF)C1;YXINWBGRGPTCKK-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117982;MM117982;CCC1CCC(F)C1;VAJFDINKRNMUFO-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117983;MM117983;NCC1CCC(F)C1;ZBFGGIJQWMXVBW-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117984;MM117984;OCC1CCC(F)C1;CYSCIWOGJGUWHI-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117985;MM117985;FCC1CCC(F)C1;HFTRGYSZPLNZQN-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117986;MM117986;CNC1CCC(C)C1;KYMXBBBWJVWQSX-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117987;MM117987;CNC1CCC(N)C1;UVRACRXTNOLTMJ-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117988;MM117988;CNC1CCC(O)C1;ILUIZUPCHOJPBJ-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117989;MM117989;CNC1CCC(F)C1;YSMYMAQYPMGVNF-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117990;MM117990;COC1CCC(C)C1;DSQVNZQPDSIEBT-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117991;MM117991;COC1CCC(N)C1;BVILPGWUKJERFN-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117992;MM117992;COC1CCC(O)C1;DYTJEQBUSOPLJD-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117993;MM117993;COC1CCC(F)C1;NDGSKKNSBXYRQO-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117994;MM117994;CCC1CNC(C)C1;GQLMMILDQJPJHL-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117995;MM117995;CC1CC(CN)CN1;QHCSXLCKUHBBLI-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117996;MM117996;CC1CC(CO)CN1;SHTKAZQCRDTBLT-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117997;MM117997;CC1CC(CF)CN1;APWQFHAIJYTLDT-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117998;MM117998;CNC1CNC(C)C1;YMIGDZKZDDAGJE-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM117999;MM117999;COC1CNC(C)C1;NEISDEAQLMENHN-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118000;MM118000;CCC1COC(C)C1;NYVCWEULJZVOKS-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118001;MM118001;CC1CC(CN)CO1;AYKIBDBLUJHTHZ-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118002;MM118002;CC1CC(CO)CO1;NQIAQBVYGDADLH-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118003;MM118003;CC1CC(CF)CO1;FYOBXPVVCYFNDL-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118004;MM118004;CNC1COC(C)C1;HNVHXQZMMAOBGU-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118005;MM118005;COC1COC(C)C1;HSMDWGLFBQAONI-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118006;MM118006;CCC1CC(C)CN1;NJSAPHBUGZJARM-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118007;MM118007;CC1CNC(CN)C1;DJSMGMVCCGWXEE-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118008;MM118008;CC1CNC(CO)C1;RJMNAMGXLRMTME-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118009;MM118009;CC1CNC(CF)C1;MWAHNEBHCPKCKD-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118010;MM118010;CCC1CC(N)CN1;USKSTRAUALDKHE-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118011;MM118011;NCC1CC(N)CN1;OCBXGMITPKNYIN-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118012;MM118012;NC1CNC(CO)C1;GATJYQXOTIFFMS-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118013;MM118013;NC1CNC(CF)C1;KREPYRFLLUCISO-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118014;MM118014;NCC1CC(O)CN1;VPKJBJVGUAQJOS-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118015;MM118015;OCC1CC(O)CN1;CALDMMCNNFPJSI-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118016;MM118016;OC1CNC(CF)C1;ARNXCULDKMIWES-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118017;MM118017;CCC1CC(F)CN1;HZMGQFNBKCTSJI-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118018;MM118018;NCC1CC(F)CN1;FVXZURWJXFRXTF-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118019;MM118019;OCC1CC(F)CN1;GDLHZOVMBZPGEL-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118020;MM118020;CCC1CC(C)CO1;HXTYAJYEZGMVNC-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118021;MM118021;CC1COC(CN)C1;UEKXFVCDYQNMAC-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118022;MM118022;CC1COC(CO)C1;FCHFDKDWVGHZMN-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118023;MM118023;CC1COC(CF)C1;JTKNKODPCHSWSZ-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118024;MM118024;CCC1CC(N)CO1;KJUVIKMUFILTGL-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118025;MM118025;NCC1CC(N)CO1;COIWRVQAIBHJCV-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118026;MM118026;NC1COC(CO)C1;ADZPPBOWUMWUIE-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118027;MM118027;CCC1CC(O)CO1;OGBDJQAMFKHALN-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118028;MM118028;NCC1CC(O)CO1;ZGCNUWGZWVKOIA-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118029;MM118029;OCC1CC(O)CO1;WDMXOLOBWMBITN-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118030;MM118030;OC1COC(CF)C1;MAHBIQRXPLNFOM-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118031;MM118031;CCC1CC(F)CO1;GVJWAHVCDNBQFK-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118032;MM118032;NCC1CC(F)CO1;VOSAZSDHYXJNDY-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118033;MM118033;OCC1CC(F)CO1;SBDMUXWIFFWARP-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118034;MM118034;COC1CC(C)CO1;ZXMCOSPZKVGRNK-UHFFFAOYSA-N;116.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118035;MM118035;COC1CC(N)CO1;ULNLBPCHRYILNZ-UHFFFAOYSA-N;117.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118036;MM118036;COC1CC(O)CO1;SVTOZFNPVTTXMK-UHFFFAOYSA-N;118.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118037;MM118037;COC1CC(F)CO1;ZCUWOZNAXWTFQS-UHFFFAOYSA-N;120.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118038;MM118038;CCC1CCC(C)N1;HFSPXKKJTJCBNE-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118039;MM118039;CC1CCC(CN)N1;UOXNNWQPOPHYLC-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118040;MM118040;CC1CCC(CO)N1;JMGBOXZFLWUSLH-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118041;MM118041;CC1CCC(CF)N1;IXTNOUXLBUFQQY-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118042;MM118042;CCC1CCC(C)O1;UHMJZZUFLYFOBN-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118043;MM118043;CC1CCC(CN)O1;QVDZSYSWFHRVRU-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118044;MM118044;CC1CCC(CO)O1;PCZHHBOJPSQUNS-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118045;MM118045;CC1CCC(CF)O1;VSSRDCKJAZMBOY-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118046;MM118046;COC1CCC(C)O1;SCEKEHFBNJCJHH-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118047;MM118047;CCC1COC(C)O1;PXOMUGHKQXQZIV-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118048;MM118048;CC1OCC(CN)O1;XILQRXRUWNEJNW-UHFFFAOYSA-N;117.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118049;MM118049;CC1OCC(CO)O1;ZCYJBTKNPHKPPN-UHFFFAOYSA-N;118.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118050;MM118050;COC1COC(C)O1;GBSCXDMBDRDPKD-UHFFFAOYSA-N;118.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118051;MM118051;CCC1OCC(C)O1;CSZCLQLJVFLXLI-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118052;MM118052;CC1COC(CN)O1;TXPGXVRZEHXZET-UHFFFAOYSA-N;117.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118053;MM118053;CC1COC(CO)O1;DLINGWKIAAPFAC-UHFFFAOYSA-N;118.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118054;MM118054;CCC1CCN(C)C1;MTFQCOHUJSQSMY-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118055;MM118055;CN1CCC(CN)C1;BAOBZCAXECCBQL-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118056;MM118056;CN1CCC(CO)C1;NPWMWLAPRVMNBN-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118057;MM118057;CN1CCC(CF)C1;JYTFKHOLKMFQMO-UHFFFAOYSA-N;117.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118058;MM118058;CNC1CCN(C)C1;CZGIEJXGCLWRPY-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118059;MM118059;COC1CCN(C)C1;HGVMMXPFXSHEKH-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118060;MM118060;CCN1CCC(C)C1;XFFULTVXQDHRCE-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118061;MM118061;CCN1CCC(N)C1;GOLVGZOPWLLUSF-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118062;MM118062;CCN1CCC(O)C1;IDBNECMSCRAUNU-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118063;MM118063;C=CC1CCC(C)C1;UYDYIIZGDLDBCF-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118064;MM118064;CC1CCC(C=O)C1;CFABTXHHYMKPEQ-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118065;MM118065;CC1CCC(C#N)C1;KJGOFSOLQOWBSX-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118066;MM118066;C=CC1CCC(N)C1;OMBJCDBWCLRYLH-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118067;MM118067;CNN=CNNC(=O)CF;OWIVUZZTMQDHSU-UHFFFAOYSA-N;148.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118068;MM118068;O=CC1CCC(O)C1;FWKGSDVDYSPDMF-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118069;MM118069;N#CC1CCC(O)C1;CBYFMEDJHNTXQX-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118070;MM118070;C=CC1CCC(F)C1;ZNDQJOUDSDSMBW-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118071;MM118071;O=CC1CCC(F)C1;JIFIJTWZDUHBDY-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118072;MM118072;N#CC1CCC(F)C1;XKAFCEBZLNXPOM-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118073;MM118073;C=CC1CNC(C)C1;MGFAGRXKSNSONV-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118074;MM118074;CC1CC(C=O)CN1;NMYITYHIHIOEAD-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118075;MM118075;CC1CC(C#N)CN1;PCKIPXRRPBAYEU-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118076;MM118076;C=CC1COC(C)C1;JOTQRARGJZTYTF-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118077;MM118077;CC1CC(C=O)CO1;AOLORHYBQLFMBT-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118078;MM118078;CC1CC(C#N)CO1;IRAUJNSPMPEGEW-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118079;MM118079;C=CC1CC(C)CN1;WFVCTVUHWZVDPS-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118080;MM118080;CC1CNC(C=O)C1;PRIWRFDACWRBON-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118081;MM118081;C=CC1CC(N)CN1;CGLKTFQYCMXLKF-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118082;MM118082;C=CC1CC(O)CN1;AUMFHSGHKMAQIY-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118083;MM118083;O=CC1CC(O)CN1;UGVVZFVORJSZDD-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118084;MM118084;C=CC(CC)CCC=NO;SRDHSGSFLOMVCX-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118085;MM118085;C=CC1CC(F)CN1;UYPFJGUVOPWNPJ-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118086;MM118086;N#CC1CC(F)CN1;HHFUFGKACHWIAV-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118087;MM118087;C=CC1CC(C)CO1;HXDKYPNTIQBWRM-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118088;MM118088;CC1COC(C=O)C1;HDZBPRQYBGUONH-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118089;MM118089;CC1COC(C#N)C1;DHLYADFMADCBJO-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118090;MM118090;C=CC1CC(N)CO1;TYGQQASYZAHJIY-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118091;MM118091;C=CC1CC(O)CO1;IPLBCSKZQGAJAW-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118092;MM118092;O=CC1CC(O)CO1;CXTHGVYRJZYXJI-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118093;MM118093;N#CC1CC(O)CO1;KSAVOOLZMJIQFS-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118094;MM118094;C=CC1CC(F)CO1;DFJXUQRXZQKXEE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118095;MM118095;O=CC1CC(F)CO1;ODHWCYIXMGHMJK-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118096;MM118096;N#CC1CC(F)CO1;IGLKULIXTXGRBV-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118097;MM118097;C=CC1CCC(C)N1;ZKZAJTYRIIMSOI-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118098;MM118098;CC1CCC(C=O)N1;OIFHMQCAKMDJIF-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118099;MM118099;C=CC1CCC(C)O1;OETRIXINWGOLMP-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118100;MM118100;CC1CCC(C=O)O1;JRBSZVXUCSGODW-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118101;MM118101;CC1CCC(C#N)O1;UEAOJAJQUMKISH-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118102;MM118102;C=CC1COC(C)O1;DEKNUYHWQGJKIZ-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118103;MM118103;CC1OCC(C=O)O1;MGJRCILWZGKOON-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118104;MM118104;CC1OCC(C#N)O1;IMRSPCPRWVCLPO-UHFFFAOYSA-N;113.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118105;MM118105;C=CC1OCC(C)O1;BGIDUFCVXOXJNO-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118106;MM118106;CC1COC(C=O)O1;GDHOGBJWECDAHD-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118107;MM118107;CC1COC(C#N)O1;DJBOSABMPXYIDQ-UHFFFAOYSA-N;113.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118108;MM118108;C=CC1CCN(C)C1;YMNFSKKORTUSOB-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118109;MM118109;CN1CCC(C=O)C1;SZCSQMWKHQABGW-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118110;MM118110;CC1CCN(C=N)C1;PFVRZMZTRNQUNS-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118111;MM118111;CC1CCN(C=O)C1;JZJDJKRIAJEKKE-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118112;MM118112;N=CN1CCC(N)C1;JUSAPSQSWOLMBN-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118113;MM118113;NC1CCN(C=O)C1;QAGMTXXQOKVNQY-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118114;MM118114;N=CN1CCC(O)C1;UBYFUYYCPRKSGK-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118115;MM118115;O=CN1CCC(O)C1;HDACDDSPBQTVCH-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118116;MM118116;N=CN1CCC(F)C1;UFPPHMVLMLDLAU-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118117;MM118117;O=CN1CCC(F)C1;AJPGSXUUJRFUFX-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118118;MM118118;C=NN1CCC(C)C1;UXNZJLZFRPLPJK-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118119;MM118119;C=NN1CCC(N)C1;HBHBXZYBAKJPGF-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118120;MM118120;CCC(=NO)N(N)CCF;CMIFBCZANPBOPE-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118121;MM118121;C=NN1CCC(F)C1;SBMVJERAMSZBMU-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118122;MM118122;CC1CNN(C=N)C1;MEACAQHTPJCRLF-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118123;MM118123;CC1CNN(C=O)C1;GUPNKCDCPZTVFR-UHFFFAOYSA-N;114.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118124;MM118124;N=CN1CC(N)CN1;MIWYRUYWWQGNEX-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118125;MM118125;NC1CNN(C=O)C1;QGIOMUYDBJUVSY-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118126;MM118126;N=CN1CC(O)CN1;SZZLJUBFOAJTSZ-UHFFFAOYSA-N;115.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118127;MM118127;C=CC(=NO)N(N)C=CF;YRUPKOBZMNIZGK-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118128;MM118128;N=CN1CC(F)CN1;MKOOLOJZCNYMPM-UHFFFAOYSA-N;117.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118129;MM118129;O=CN1CC(F)CN1;CBRQFHSPLDDLGB-UHFFFAOYSA-N;118.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118130;MM118130;CC1CON(C=O)C1;RUEACOGZYKPZRQ-UHFFFAOYSA-N;115.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118131;MM118131;NC1CON(C=O)C1;WCQGDHIMDVCIHY-UHFFFAOYSA-N;116.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118132;MM118132;O=CN1CC(O)CO1;IIUKFVFZSRLPQI-UHFFFAOYSA-N;117.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118133;MM118133;O=CN1CC(F)CO1;ILELAPBHOUHMGB-UHFFFAOYSA-N;119.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118134;MM118134;CC1CCN(C=N)N1;GVBLNRVUHKWCIN-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118135;MM118135;CC1CCN(C=O)N1;PJNXKPWYNSPMBP-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118136;MM118136;CC1CCN(C=N)O1;WKGDYSRESVNRJQ-UHFFFAOYSA-N;114.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118137;MM118137;CC1CCN(C=O)O1;ITVWBCLTFUEQSQ-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118138;MM118138;C#CC1CCC(C)C1;YLPWDNCQUFIPKT-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118139;MM118139;C#CC1CCC(N)C1;GDSBTKMJDHHSPF-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118140;MM118140;CC(C)c1ccc(N=O)[nH]1;YVLLUPMEZNJOPB-UHFFFAOYSA-N;138.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118141;MM118141;C#CC1CCC(F)C1;IHWKQAQGQFWGNF-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118142;MM118142;C#CC1CNC(C)C1;VQXHNRYDIYFFQD-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118143;MM118143;C#CC1COC(C)C1;OIEAMSDVTSAJOG-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118144;MM118144;C#CC1CC(C)CN1;UGHNHQSJVZZFSN-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118145;MM118145;C#CC1CC(N)CN1;WYTCWFCFXFYITK-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118146;MM118146;C#CC1CC(O)CN1;IQIBEZXNYIGVAH-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118147;MM118147;C#CC1CC(F)CN1;OXHPMMLLBILANG-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118148;MM118148;C#CC1CC(C)CO1;KVXLKCFUGDQBQT-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118149;MM118149;C#CC1CC(N)CO1;XAEYJFFXSVVAJH-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118150;MM118150;C#CC1CC(O)CO1;VKXXUVOLSAMJNP-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118151;MM118151;C#CC1CC(F)CO1;SEYOZUGQUOKRRD-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118152;MM118152;C#CC1CCC(C)N1;GPJSVPOKQFCTIO-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118153;MM118153;C#CC1CCC(C)O1;IUXXTMAUBVPJMH-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118154;MM118154;C#CC1COC(C)O1;PRSUGSUPXDJNPQ-UHFFFAOYSA-N;112.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118155;MM118155;C#CC1OCC(C)O1;FCYWXHQZKMDHPW-UHFFFAOYSA-N;112.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118156;MM118156;C#CC1CCN(C)C1;IQJQQWRMLKQYIX-UHFFFAOYSA-N;109.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118157;MM118157;C=C1CCC(CC)C1;MGQCQGRVOKDRKC-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118158;MM118158;C=C1CCC(CN)C1;CCSVMCKUHLEJAU-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118159;MM118159;O=CC=C1CCC(=NO)N1;JVFRQSURMYYDRR-UHFFFAOYSA-N;140.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118160;MM118160;C=C1CCC(CF)C1;TUZGTAGVLXRHJT-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118161;MM118161;CCC1CCC(=O)C1;XERALSLWOPMNRJ-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118162;MM118162;O=C1CCC(CO)C1;ZUDJASYMJNCZKF-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118163;MM118163;O=C1CCC(CF)C1;RCPCVPDBJOLAKR-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118164;MM118164;C=C1CCC(NC)C1;GZMQURHQHVAMBQ-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118165;MM118165;CNC1CCC(=O)C1;WGPGSNJEDOVIDI-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118166;MM118166;C=C1CCC(OC)C1;VEAGGPLQZMEYBH-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118167;MM118167;COC1CCC(=O)C1;GFEOMMUMMYWXQG-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118168;MM118168;CCC1CNC(=N)C1;YDJLYZDTIUKJQI-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118169;MM118169;N=C1CC(CN)CN1;VXXCJQKSZFYFRS-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118170;MM118170;N=C1CC(CO)CN1;YGTBXPYWRYZIBG-UHFFFAOYSA-N;114.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118171;MM118171;N=C1CC(CF)CN1;OPNOEJMEDRBNOY-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118172;MM118172;CCC1CNC(=O)C1;ZBCUGJNJBOSHIA-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118173;MM118173;NCC1CNC(=O)C1;TXFBWVRKVAEOPA-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118174;MM118174;O=C1CC(CO)CN1;KTOFYLXSANIPND-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118175;MM118175;O=C1CC(CF)CN1;CCPSECFWEJAIJD-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118176;MM118176;CNC1CNC(=N)C1;STIHLNFAUZMQAV-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118177;MM118177;CNC1CNC(=O)C1;IJZQOVRVVPPYQM-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118178;MM118178;COC1CNC(=N)C1;SPQQVHWGPYMYKN-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118179;MM118179;COC1CNC(=O)C1;ZREXPQQJHZPXAY-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118180;MM118180;C=C1CC(CC)CO1;TXXMTUNDVZYYBL-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118181;MM118181;C=C1CC(CN)CO1;XPLIHGGAECECPM-UHFFFAOYSA-N;113.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118182;MM118182;C=C1CC(CO)CO1;NDJRFSKUJGZVHZ-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118183;MM118183;C=C1CC(CF)CO1;PWWJBICLDPABTN-UHFFFAOYSA-N;116.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118184;MM118184;CCC1COC(=O)C1;MDQZVJSUBKPTHG-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118185;MM118185;NCC1COC(=O)C1;JVURSDGVOVZEPI-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118186;MM118186;O=C1CC(CO)CO1;PVQRPRXBBGDUMX-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118187;MM118187;O=C1CC(CF)CO1;SNOBQHSFTVYKRO-UHFFFAOYSA-N;118.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118188;MM118188;C=C1CC(NC)CO1;MHKVGCYRRVUUEH-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118189;MM118189;CNC1COC(=O)C1;XWYSLGXNXZYUGI-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118190;MM118190;C=C1CC(OC)CO1;DJOHNVHHMJYVGP-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118191;MM118191;COC1COC(=O)C1;FREVCKUTSMQJOO-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118192;MM118192;C=C1CNC(CC)C1;PSDPANGEIJEHFV-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118193;MM118193;C=C1CNC(CN)C1;QACHHMGMYOTIFK-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118194;MM118194;C=C1CNC(CO)C1;WLPBHSFDRNAUCU-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118195;MM118195;C=C1CNC(CF)C1;FGYCMBZKQUHBAY-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118196;MM118196;CC#CC1=NN=C(NN)C1;AIPGNIHASUVSSS-UHFFFAOYSA-N;136.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118197;MM118197;CCC1CC(=N)NN1;RLYVZGXVSMGCAT-UHFFFAOYSA-N;113.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118198;MM118198;N=C1CC(CN)NN1;XPFGEYZLKDRVHN-UHFFFAOYSA-N;114.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118199;MM118199;N=C1CC(CO)NN1;FNVSTIVYMKSSFK-UHFFFAOYSA-N;115.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118200;MM118200;N=C1CC(CF)NN1;QMDCGXZPMZAEFW-UHFFFAOYSA-N;117.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118201;MM118201;COC1=CCC(=NO)NC1;FTBXQRGMJFTMSE-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118202;MM118202;NCC1CC(=O)NN1;WURRBNRFGPWVTM-UHFFFAOYSA-N;115.14;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118203;MM118203;O=C1CC(CO)NN1;LBEXDLGOZZGUGA-UHFFFAOYSA-N;116.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118204;MM118204;O=C1CC(CF)NN1;NEEBZIFTKPCHSN-UHFFFAOYSA-N;118.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118205;MM118205;C=C1COC(CC)C1;GOMMRLOFNDIAOH-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118206;MM118206;C=C1COC(CN)C1;CCSXENKLXBRKOP-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118207;MM118207;C=C1COC(CO)C1;GNVNXXMWHWQDJY-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118208;MM118208;C=C1COC(CF)C1;NGUSYRXQCNXSHU-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118209;MM118209;CCC1CC(=O)CO1;HCJJPKGXWJSOMP-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118210;MM118210;O=C1COC(CO)C1;YOWFNVWWLIYTLS-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118211;MM118211;O=C1COC(CF)C1;VZXOQYWRDPYWCZ-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118212;MM118212;C=C1COC(OC)C1;JMSFMSDQXQVDGG-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118213;MM118213;COC1CC(=O)CO1;NRCWUYRFNYCCHR-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118214;MM118214;CCC1CC(=N)NO1;QGBNEUUSMUTEKF-UHFFFAOYSA-N;114.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118215;MM118215;N=C1CC(CN)ON1;FBDFPDHQIOAFKB-UHFFFAOYSA-N;115.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118216;MM118216;N=C1CC(CO)ON1;FWWYZSBCLZWMBQ-UHFFFAOYSA-N;116.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118217;MM118217;N=C1CC(CF)ON1;FYYIGEZZGQQEHH-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118218;MM118218;N#Cc1nc(O)n[nH]1;GKZVBXHOVKWVDU-UHFFFAOYSA-N;110.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118219;MM118219;CCC1CCC(=N)N1;OOCXWPPLPPIKIQ-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118220;MM118220;N=C1CCC(CN)N1;HNUYMPOLTGNVDU-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118221;MM118221;N=C1CCC(CO)N1;VIDLMMHRVJNUGG-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118222;MM118222;N=C1CCC(CF)N1;HSANGKLNWINXHE-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118223;MM118223;CCC1CCC(=O)N1;QMXPTUUFGSTIKK-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118224;MM118224;NCC1CCC(=O)N1;GFOAHABINHRDKL-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118225;MM118225;O=C1CCC(CO)N1;HOBJEFOCIRXQKH-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118226;MM118226;O=C1CCC(CF)N1;WQNMHLGUIXQTED-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118227;MM118227;CCC1CNC(=N)N1;VTWQGVMKSBEGJZ-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118228;MM118228;N=C1NCC(CN)N1;LENUNTXJFKQYHC-UHFFFAOYSA-N;114.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118229;MM118229;N=C1NCC(CO)N1;YKYRDWHPBSTPBH-UHFFFAOYSA-N;115.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118230;MM118230;N=C1NCC(CF)N1;DVOKPBHBBVUPEU-UHFFFAOYSA-N;117.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118231;MM118231;CCC1CNC(=O)N1;MZPOVKMGAUDNQF-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118232;MM118232;NCC1CNC(=O)N1;LSLTVBMVLGQVTK-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118233;MM118233;O=C1NCC(CO)N1;JDXWVZWFFCLGPU-UHFFFAOYSA-N;116.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118234;MM118234;O=C1NCC(CF)N1;FXCSIPVDJFPHGP-UHFFFAOYSA-N;118.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118235;MM118235;NCC1COC(=O)N1;SEMURSKJWYPYKW-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118236;MM118236;O=C1NC(CO)CO1;MEXGFDVEUOGVFI-UHFFFAOYSA-N;117.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118237;MM118237;O=C1NC(CF)CO1;FNZXXGGFJFIORC-UHFFFAOYSA-N;119.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118238;MM118238;C=C1CCC(CC)O1;YTHJPZBKWXHIEC-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118239;MM118239;C=C1CCC(CN)O1;HZOIUEBJOLWHIN-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118240;MM118240;C=C1CCC(CO)O1;HEVXZHACNWOVGZ-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118241;MM118241;C=C1CCC(CF)O1;YFMSDAXUEXXSNL-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118242;MM118242;CCC1CCC(=O)O1;JBFHTYHTHYHCDJ-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118243;MM118243;NCC1CCC(=O)O1;XJNSEWOBVXGVCK-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118244;MM118244;O=C1CCC(CO)O1;NSISJFFVIMQBRN-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118245;MM118245;O=C1CCC(CF)O1;TTXVXXUIKSGKMD-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118246;MM118246;C=C1CCC(OC)O1;JGCLFYRMXOLPAL-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118247;MM118247;COC1CCC(=O)O1;FAGQENORKZKICQ-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118248;MM118248;CCC1CNC(=N)O1;MFMHWQFUMUNREN-UHFFFAOYSA-N;114.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118249;MM118249;N=C1NCC(CN)O1;FHGIAVDKFAKMKM-UHFFFAOYSA-N;115.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118250;MM118250;N=C1NCC(CO)O1;OFQLEXLMIJQUFH-UHFFFAOYSA-N;116.12;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118251;MM118251;N=C1NCC(CF)O1;IYMAZLGRZHMDEV-UHFFFAOYSA-N;118.11;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118252;MM118252;CCC1CNC(=O)O1;ZSIFASRPEVGACI-UHFFFAOYSA-N;115.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118253;MM118253;NCC1CNC(=O)O1;HUHZAMBLEKHDBP-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118254;MM118254;O=C1NCC(CO)O1;LSYOFPBORRARMF-UHFFFAOYSA-N;117.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118255;MM118255;O=C1NCC(CF)O1;KMVXQRLMTSRFBF-UHFFFAOYSA-N;119.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118256;MM118256;COC1CNC(=O)O1;PCJGZLXGYRFFJA-UHFFFAOYSA-N;117.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118257;MM118257;CCC1COC(=O)O1;ZZXUZKXVROWEIF-UHFFFAOYSA-N;116.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118258;MM118258;NCC1COC(=O)O1;TXLRZWSSXIZVGD-UHFFFAOYSA-N;117.1;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118259;MM118259;O=C1OCC(CO)O1;JFMGYULNQJPJCY-UHFFFAOYSA-N;118.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118260;MM118260;O=C1OCC(CF)O1;RNNVXAXTORCUFA-UHFFFAOYSA-N;120.08;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118261;MM118261;COC1COC(=O)O1;FYLSDJXJVDLDNP-UHFFFAOYSA-N;118.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118262;MM118262;C=C1COC(CC)O1;CHNZGOQMWKPONT-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118263;MM118263;C=C1COC(CN)O1;ARBKGSXQZALIFG-UHFFFAOYSA-N;115.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118264;MM118264;C=C1COC(CO)O1;FUMAZGSUHCQFAQ-UHFFFAOYSA-N;116.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118265;MM118265;CCC1OCC(=O)O1;IKYOQKCOZVXAOC-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118266;MM118266;NCC1OCC(=O)O1;YBFPJCPYIGIQLU-UHFFFAOYSA-N;117.1;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118267;MM118267;O=C1COC(CO)O1;CPDFQAGOPQXHSP-UHFFFAOYSA-N;118.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118268;MM118268;CC(=N)NC(=O)CO;RHXAUQWKNGMICN-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118269;MM118269;C=C1CCN(CC)C1;OVRTYTZLKKFJCD-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118270;MM118270;CCN1CCC(=N)N1;VHICTVIUVMOUFI-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118271;MM118271;CCN1CCC(=O)N1;YFAUWTUZLKFRFS-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118272;MM118272;C=CC1CCC(=C)C1;UCLDSSPJDDZDBH-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118273;MM118273;C=C1CCC(C=O)C1;BJPJBNQBXLIIRI-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118274;MM118274;C=C1CCC(C#N)C1;IJIRTAHENYYYKR-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118275;MM118275;C=CC1CCC(=O)C1;JORKABJLEXAPFV-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118276;MM118276;O=CC1CCC(=O)C1;UMXABFSMEDUYTK-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118277;MM118277;N#CC1CCC(=O)C1;RJDDBRGASHENKL-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118278;MM118278;C=CC1CNC(=N)C1;OQIWURYOCTVNBK-UHFFFAOYSA-N;110.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118279;MM118279;N=C1CC(C=O)CN1;LINBBWOHDCDDFM-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118280;MM118280;N#CC1CNC(=N)C1;FQUKVVDJJWWKCF-UHFFFAOYSA-N;109.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118281;MM118281;C=CC1CNC(=O)C1;RFOIWENXLZSKSY-UHFFFAOYSA-N;111.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118282;MM118282;O=CC1CNC(=O)C1;UCCVKBRTSQNCKG-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118283;MM118283;N#CC1CNC(=O)C1;PGGZFAMYBLCHOZ-UHFFFAOYSA-N;110.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118284;MM118284;C=CC1COC(=C)C1;RCQZSRQZDPCXDQ-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118285;MM118285;C=C1CC(C=O)CO1;CQKDGHAQKOQIKG-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118286;MM118286;C=C1CC(C#N)CO1;CZPYICZZOCIRJT-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118287;MM118287;C=CC1COC(=O)C1;AUJAAMXYEHZSLP-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118288;MM118288;O=CC1COC(=O)C1;GAGFRDLDPADMCN-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118289;MM118289;N#CC1COC(=O)C1;JKVLNTPKAKOYOV-UHFFFAOYSA-N;111.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118290;MM118290;C=CC1CC(=C)CN1;DPWKSTNTXUNGMV-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118291;MM118291;C=C1CNC(C=O)C1;MALAJMXMGHLTSE-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118292;MM118292;C=C1CNC(C#N)C1;BZTZEBSJMUSEEO-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118293;MM118293;Cc1nc(O)[nH]c1N;SNSOBNUNVOMCPB-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118294;MM118294;N=C(CCF)NC(N)=O;MROCPPGHPSTODR-UHFFFAOYSA-N;133.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118295;MM118295;C=CC1CC(=N)NN1;RSZSLMKIFWXKSX-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118296;MM118296;N=C1CC(C=O)NN1;RIQKQZZJWGZSKY-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118297;MM118297;N#CC1CC(=N)NN1;HOTHGAUMJGKVFR-UHFFFAOYSA-N;110.12;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118298;MM118298;C=CC1CC(=O)NN1;PYDLHJGTFBTZOS-UHFFFAOYSA-N;112.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118299;MM118299;O=CC1CC(=O)NN1;UGUODYCPKIJGJB-UHFFFAOYSA-N;114.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118300;MM118300;N#CC1CC(=O)NN1;ACNYKAWQUYWIKE-UHFFFAOYSA-N;111.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118301;MM118301;C=CC1CC(=C)CO1;OZIIVICJDVWANH-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118302;MM118302;C=C1COC(C=O)C1;CXUQMZPZYSQCBR-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118303;MM118303;C=C1COC(C#N)C1;ABHQYPFYAYHTQZ-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118304;MM118304;C=CC1CC(=O)CO1;OGWPOFCLXFGVOV-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118305;MM118305;O=CC1CC(=O)CO1;CGQWFNXHDVHMSH-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118306;MM118306;N#CC1CC(=O)CO1;DGFRVUAANSTPJK-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118307;MM118307;C=CC1CC(=N)NO1;FTGXMTOOTOENRG-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118308;MM118308;N=C1CC(C=O)ON1;PYYJYZFXUHHJOZ-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118309;MM118309;N#CC1CC(=N)NO1;IIRHJVOAUWTKIN-UHFFFAOYSA-N;111.1;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118310;MM118310;C=CC1CCC(=N)N1;XGMYIWIXVITJBF-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118311;MM118311;N=C1CCC(C=O)N1;CYSXKQLYPFIJTG-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118312;MM118312;N#CC1CCC(=N)N1;RNQRPQAIKGLZEK-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118313;MM118313;C=CC1CCC(=O)N1;OYVDXEVJHXWJAE-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118314;MM118314;O=CC1CCC(=O)N1;XBGYMVTXOUKXLG-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118315;MM118315;N#CC1CCC(=O)N1;HHSPIXLTIXUWAU-UHFFFAOYSA-N;110.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118316;MM118316;C=CC1CNC(=N)N1;SEAYBWWYMJFBSF-UHFFFAOYSA-N;111.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118317;MM118317;N=C1NCC(C=O)N1;ZQYZBQRIPZVHAO-UHFFFAOYSA-N;113.12;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118318;MM118318;N#CC1CNC(=N)N1;OHBUOKFOEBPHEC-UHFFFAOYSA-N;110.12;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118319;MM118319;C=CC1CNC(=O)N1;MDBKMMMFSAYRIN-UHFFFAOYSA-N;112.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118320;MM118320;O=CC1CNC(=O)N1;GVQRYRQWQHIGRA-UHFFFAOYSA-N;114.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118321;MM118321;N#CC1CNC(=O)N1;OEYWJZUPBYIBOC-UHFFFAOYSA-N;111.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118322;MM118322;COCC(=O)NC(C)=N;XZQYUIOANSHGIP-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118323;MM118323;C=CC1COC(=O)N1;WRQDRNWXVRNPFT-UHFFFAOYSA-N;113.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118324;MM118324;O=CC1COC(=O)N1;ZBRLNFVSVNGIAA-UHFFFAOYSA-N;115.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118325;MM118325;N#CC1COC(=O)N1;LETZBFFXEPHDOU-UHFFFAOYSA-N;112.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118326;MM118326;C=CC1CCC(=C)O1;NXWDDKBIMLNBKC-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118327;MM118327;C=C1CCC(C=O)O1;RYRBVQRSMYYZEK-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118328;MM118328;C=C1CCC(C#N)O1;XVSPFVAJHXVDFB-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118329;MM118329;C=CC1CCC(=O)O1;NUZVHQQEGICDQB-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118330;MM118330;O=CC1CCC(=O)O1;ZFXZBQWFIKDIQK-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118331;MM118331;N#CC1CCC(=O)O1;XGNMEKCXHFCNEM-UHFFFAOYSA-N;111.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118332;MM118332;C=CC1CNC(=N)O1;CXPDVLFWUXVQTB-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118333;MM118333;C=CC1CNC(=O)O1;GNZILXAKGXNEAQ-UHFFFAOYSA-N;113.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118334;MM118334;O=CC1CNC(=O)O1;ZFFSGENIZLZEMH-UHFFFAOYSA-N;115.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118335;MM118335;N#CC1CNC(=O)O1;BJMSENVBJXEWRK-UHFFFAOYSA-N;112.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118336;MM118336;C=CC1COC(=O)O1;BJWMSGRKJIOCNR-UHFFFAOYSA-N;114.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118337;MM118337;O=CC1COC(=O)O1;SOVQCEZPQOHERO-UHFFFAOYSA-N;116.07;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118338;MM118338;N#CC1COC(=O)O1;DNMSBVYZDQGYLU-UHFFFAOYSA-N;113.07;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118339;MM118339;C=CC1OCC(=C)O1;FYRRCTPVCJLASE-UHFFFAOYSA-N;112.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118340;MM118340;C=C1COC(C=O)O1;ZQHXSXQCISTCEF-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118341;MM118341;C=C1COC(C#N)O1;WEWVCLOWELMXHR-UHFFFAOYSA-N;111.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118342;MM118342;C=CC1OCC(=O)O1;HPGSTQUYCLPWMH-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118343;MM118343;O=CC1OCC(=O)O1;FKUBOVYPHBYQKO-UHFFFAOYSA-N;116.07;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118344;MM118344;N#CC1OCC(=O)O1;RGNJRQYETGACRZ-UHFFFAOYSA-N;113.07;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118345;MM118345;C=CC1ONC(=N)O1;NQWMKQOJMXLDQU-UHFFFAOYSA-N;114.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118346;MM118346;CC(=N)NC(=O)C=NN;SNWCSDRXUXOJCN-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118347;MM118347;Nc1n[nH]cnc(=O)c1=O;HYDIIOBDGBFZSY-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118348;MM118348;C=C1CCN(C=N)C1;NOTPNFZJUKJMPA-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118349;MM118349;C=C1CCN(C=O)C1;PWNAMDLCMHMOSS-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118350;MM118350;N=CN1CCC(=O)C1;DOPYERFRTHLUHI-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118351;MM118351;CCCC(C)CC=NO;MIACRSFXRRSFDP-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118352;MM118352;C=NN1CCC(=C)C1;HYLBVYARVLQJDJ-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118353;MM118353;CC(C)C(C)CC=NO;RLWQZFMLKRJUEP-UHFFFAOYSA-N;129.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118354;MM118354;C=C1CNN(C=N)C1;LJQRKSYOUSHWJQ-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118355;MM118355;C=C1CNN(C=O)C1;VGISDOPRTSSMPZ-UHFFFAOYSA-N;112.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118356;MM118356;N=CN1CC(=O)CN1;UGQLTKBBAHVJCW-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118357;MM118357;CC(C)C(C=CN)=NO;KBZVLQHCAUFNSV-UHFFFAOYSA-N;128.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118358;MM118358;C=C1CON(C=O)C1;RDOJLIBTWCQGNU-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118359;MM118359;O=CN1CC(=O)CO1;NRHYCXDMNIQUAS-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118360;MM118360;N=CN1CCC(=N)N1;PGMDEUZJKUAJFV-UHFFFAOYSA-N;112.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118361;MM118361;N=C1CCN(C=O)N1;RBNOIKLYVODILJ-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118362;MM118362;N=CN1CCC(=O)N1;QUQNZCOVAFBXGT-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118363;MM118363;O=CN1CCC(=O)N1;XUTKNQDNMGLLQM-UHFFFAOYSA-N;114.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118364;MM118364;O=CN1CCC(=O)O1;LVWRFGAXZPIZGV-UHFFFAOYSA-N;115.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118365;MM118365;C#CC1CCC(=C)C1;DFHQYRLKRHXGSK-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118366;MM118366;C#CC1CCC(=O)C1;BUMJPRMITFUXTB-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118367;MM118367;C#CC1CNC(=N)C1;PATFXKIHQUNHST-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118368;MM118368;C#CC1CNC(=O)C1;VPFWRGMDQQGKOC-UHFFFAOYSA-N;109.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118369;MM118369;C#CC1COC(=C)C1;UVLRTANKYAKRKD-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118370;MM118370;C#CC1COC(=O)C1;DWLHAGVBFJEYFL-UHFFFAOYSA-N;110.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118371;MM118371;C#CC1CC(=C)CN1;NVBYNZAIUMUDML-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118372;MM118372;C#CC1CC(=N)NN1;JPARGUBRDRIYQB-UHFFFAOYSA-N;109.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118373;MM118373;C#CC1CC(=O)NN1;SQERWJABTOPUKV-UHFFFAOYSA-N;110.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118374;MM118374;C#CC1CC(=C)CO1;KLGSAKUYPDDULJ-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118375;MM118375;C#CC1CC(=O)CO1;AHVRZRJRHUPADS-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118376;MM118376;C#CC1CC(=N)NO1;VULRJSXYJYYGHE-UHFFFAOYSA-N;110.12;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118377;MM118377;C#CC1CCC(=N)N1;KTIBNVTWIKZXPF-UHFFFAOYSA-N;108.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118378;MM118378;C#CC1CCC(=O)N1;ODCJSCFWGWZDMF-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118379;MM118379;C#CC1CNC(=N)N1;CTSAWKATOALKBO-UHFFFAOYSA-N;109.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118380;MM118380;C#CC1CNC(=O)N1;ZLOBGWGQOFGLDG-UHFFFAOYSA-N;110.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118381;MM118381;C#CC1COC(=O)N1;DLZMXGHLIAPYCI-UHFFFAOYSA-N;111.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118382;MM118382;C#CC1CCC(=C)O1;FEXHBRRQXBGAJT-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118383;MM118383;C#CC1CCC(=O)O1;UZFFBWUKQQYIQS-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118384;MM118384;C#CC1CNC(=O)O1;KXWCCXYVEIWWHD-UHFFFAOYSA-N;111.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118385;MM118385;C#CC1COC(=O)O1;FOLJHXWWJYUOJV-UHFFFAOYSA-N;112.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118386;MM118386;C#CC1OCC(=C)O1;QSZMERYUDLQLQR-UHFFFAOYSA-N;110.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118387;MM118387;C#CC1OCC(=O)O1;DHGJBHZSTPPIQE-UHFFFAOYSA-N;112.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118388;MM118388;Nn1ccc(=O)c(O)c1;JAIAPLSJSNEVAN-UHFFFAOYSA-N;126.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118389;MM118389;CC=C1CCC(C)C1;CQLHZRRWWLSKCD-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118390;MM118390;CC1CCC(=CF)C1;JOXKCAMFKQEDCP-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118391;MM118391;CC=C1CCC(N)C1;NWDQDEGUMFYPSA-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118392;MM118392;NC1CCC(=CF)C1;UMFABTQEUDZJHX-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118393;MM118393;C=Cc1ncn(O)c1N;MYLWHHRWFAOYFQ-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118394;MM118394;OC1CCC(=CF)C1;OXIIYRRSNMCQPI-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118395;MM118395;CC=C1CCC(F)C1;AIXIVZXIWAJAQM-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118396;MM118396;FC=C1CCC(F)C1;FUDFWUOSOGOPMW-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118397;MM118397;CC1CCC(=NN)C1;OPBILELZCMFKOH-UHFFFAOYSA-N;112.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118398;MM118398;CC1CCC(=NO)C1;PFIZVFHOOYWMLL-UHFFFAOYSA-N;113.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118399;MM118399;NC1CCC(=NO)C1;QQJBJQWWNFOQOW-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118400;MM118400;C#Cc1ncn(O)c1C;VDFCDWHBEDJHKC-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118401;MM118401;ON=C1CCC(O)C1;ODOBNHXUBGXADY-UHFFFAOYSA-N;115.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118402;MM118402;NN=C1CCC(F)C1;NXZZTHXTBXONGN-UHFFFAOYSA-N;116.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118403;MM118403;ON=C1CCC(F)C1;AOKWIESHSMTBTB-UHFFFAOYSA-N;117.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118404;MM118404;CC=C1CNC(C)C1;FQLSHMQPLJWSHT-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118405;MM118405;CC1CC(=CF)CN1;VKPBFEDRAJXIHF-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118406;MM118406;CC1CC(=NN)CN1;HNLGILOVCJDTAG-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118407;MM118407;CC1CC(=NO)CN1;XNURXYKPHUOCMO-UHFFFAOYSA-N;114.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118408;MM118408;CC=C1COC(C)C1;DEUNFRAYVRHPAH-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118409;MM118409;CC1CC(=CF)CO1;GZBDABXCSHZCIA-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118410;MM118410;CC1CC(=NN)CO1;IMCQDPGRVONUFB-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118411;MM118411;CC1CC(=NO)CO1;AFYNLNUITNTGAC-UHFFFAOYSA-N;115.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118412;MM118412;CN=C1CC(C)CN1;DUXOTSYAQNBONQ-UHFFFAOYSA-N;112.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118413;MM118413;CC1CN=C(NN)C1;FNTSCBUBPHVLGP-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118414;MM118414;CC1CN=C(NO)C1;ZXNGSRIVADLURC-UHFFFAOYSA-N;114.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118415;MM118415;CN=C1CC(N)CN1;NNNBKMNDAYPWRW-UHFFFAOYSA-N;113.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118416;MM118416;CN=C1CC(O)CN1;LALNARHOVUPZOD-UHFFFAOYSA-N;114.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118417;MM118417;NNC1=NCC(O)C1;RHEAWXXVQZPOES-UHFFFAOYSA-N;115.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118418;MM118418;CCC(CC)CC=NO;KWPFEGPANFZAAI-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118419;MM118419;CN=C1CC(F)CN1;LKWIUJMDEIXXIE-UHFFFAOYSA-N;116.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118420;MM118420;NNC1=NCC(F)C1;SBHBUOHLNGWYKZ-UHFFFAOYSA-N;117.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118421;MM118421;ON=C1CC(F)CN1;ZDXAXJAIAGXXPA-UHFFFAOYSA-N;118.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118422;MM118422;CN=C1CC(C)NN1;YZYNXQQFCPVHDF-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118423;MM118423;CC12CC1C(=NO)NN2;UODHKRFSYLAFNU-UHFFFAOYSA-N;127.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118424;MM118424;CN=C1CC(C)ON1;CWBJFHGHWKKTMC-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118425;MM118425;OCC1C=CC(=NO)N1;ISHMTBGJXNKSOI-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118426;MM118426;CC(F)CC(=N)NC(N)=O;HLQKTSYUYDFMBK-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118427;MM118427;CC=C1CC(C)CO1;OZJDDFIRQFENTM-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118428;MM118428;CC1COC(=CF)C1;VPNHUGWABRMYHE-UHFFFAOYSA-N;116.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118429;MM118429;CC=C1CC(N)CO1;SNTOTICLKGSJER-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118430;MM118430;NC1COC(=CF)C1;FAUQJJXHQARRJL-UHFFFAOYSA-N;117.12;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118431;MM118431;CC=C1CC(O)CO1;PBNWBKQHXWNUEG-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118432;MM118432;OC1COC(=CF)C1;SSKFJKGFVCEEEC-UHFFFAOYSA-N;118.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118433;MM118433;CC=C1CC(F)CO1;HTBILVZGUPWTTQ-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118434;MM118434;FC=C1CC(F)CO1;DOSCKKNKIZDGGK-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118435;MM118435;CC(O)C=CN(N)C=NO;PJVGZYRGKWPCDU-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118436;MM118436;CC1COC(=NO)C1;MXKHHQOPZKFHCI-UHFFFAOYSA-N;115.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118437;MM118437;NC1COC(=NO)C1;HTDBWZRNOKYZNX-UHFFFAOYSA-N;116.12;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118438;MM118438;CC(=CN(N)C=NO)CO;VRDFEZYGPLTFFY-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118439;MM118439;ON=C1CC(O)CO1;LDXNDLGFTFXZCP-UHFFFAOYSA-N;117.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118440;MM118440;CC(F)=CN(C)C(C)=NO;WAFOGUXGGXHVEX-UHFFFAOYSA-N;146.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118441;MM118441;ON=C1CC(F)CO1;FMMXNNPTMXZEMG-UHFFFAOYSA-N;119.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118442;MM118442;CN=C1CCC(C)N1;DRQNIYYVPNPXOC-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118443;MM118443;CC1CCC(=NN)N1;AAYDGBNKJSWFRK-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118444;MM118444;C#CC(O)(C#C)CNN=C;IUCTWNGWHWUQCH-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118445;MM118445;CN=C1NCC(C)N1;ZFMMYXPDHGNXEN-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118446;MM118446;CC1CNC(=NN)N1;CIBLXTODNUIZIS-UHFFFAOYSA-N;114.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118447;MM118447;C#CC(C)CC(=NO)NN;XBGULTYNYNZDAB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118448;MM118448;CC1COC(=NO)N1;ILKSKEVFVCLWHB-UHFFFAOYSA-N;116.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118449;MM118449;CC=C1CCC(C)O1;AAXIRWBUKNFHKW-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118450;MM118450;CC1CCC(=CF)O1;VBSSLSVQJMVVAK-UHFFFAOYSA-N;116.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118451;MM118451;C=C(CC)CCCC=NO;QCGRTPQCXMTXRX-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118452;MM118452;CC1CCC(=NO)O1;KBGANUKADADIGO-UHFFFAOYSA-N;115.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118453;MM118453;CC=C1COC(C)O1;WEEVAIAYHLABBG-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118454;MM118454;CC1OCC(=CF)O1;IHYOMRONYBHQMU-UHFFFAOYSA-N;118.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118455;MM118455;CNN(C)C(=NO)C(N)=O;KDNZBSBQNTYNTJ-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118456;MM118456;CC1OCC(=NO)O1;AEQRALZGYHDJRD-UHFFFAOYSA-N;117.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118457;MM118457;CNC=CC(=NO)N(C)O;BCIVYVWHPDGSNF-UHFFFAOYSA-N;145.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118458;MM118458;CC1CNC(=NO)O1;VEODCZBYRRKRRL-UHFFFAOYSA-N;116.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118459;MM118459;N#CC=CNC(=NO)NO;JKMUPHWUWCDGCO-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118460;MM118460;CN1CC1CC(=NO)NN;WFQJHBQRNMNITM-UHFFFAOYSA-N;144.18;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118461;MM118461;CC1ONC(=NO)O1;AZTMJZVMEJAXPR-UHFFFAOYSA-N;118.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118462;MM118462;CCCc1nc(N=N)c[nH]1;YANAUYPWFIUTMM-UHFFFAOYSA-N;138.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118463;MM118463;CC1COC(=NO)O1;KPEISCIPKHGYQT-UHFFFAOYSA-N;117.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118464;MM118464;CC=C1CCN(C)C1;RLQIANNDJJOVTO-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118465;MM118465;CN=C1CCN(C)N1;YIGNWEJLTGPUPT-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118466;MM118466;CC=CCCCCC=NO;MXSYHUJHOWHZJG-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118467;MM118467;C=C1CCC(=CC)C1;KATUMJOOZNWYQZ-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118468;MM118468;C=C1CCC(=CF)C1;GJZXAZWBMVFWMP-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118469;MM118469;CC=C1CCC(=O)C1;GTNGSDHBHMZIJW-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118470;MM118470;O=C1CCC(=CF)C1;LQYMZCHRYRAGHG-UHFFFAOYSA-N;114.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118471;MM118471;C=C1CCC(=NN)C1;IQDIYLKCJRWGPI-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118472;MM118472;C=C1CCC(=NO)C1;SOWMPUHZYLOERM-UHFFFAOYSA-N;111.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118473;MM118473;O=C1CCC(=NO)C1;UECZAQNPMIGUHZ-UHFFFAOYSA-N;113.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118474;MM118474;CC=C1CNC(=N)C1;KNCSLPJGHWNPLR-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118475;MM118475;N=C1CC(=CF)CN1;ZNUCJAUTBSUYMM-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118476;MM118476;CC=C1CNC(=O)C1;KQFYRWGUQXISMF-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118477;MM118477;O=C1CC(=CF)CN1;JUEVVHJJDCWMFK-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118478;MM118478;N=C1CC(=NN)CN1;AXQDEOWYNZSWIG-UHFFFAOYSA-N;112.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118479;MM118479;N=C1CC(=NO)CN1;BEQWXCLXAKROGQ-UHFFFAOYSA-N;113.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118480;MM118480;N#CC(C#CC1CN1)CO;ZORSITXSSVVCCK-UHFFFAOYSA-N;136.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118481;MM118481;O=C1CC(=NO)CN1;IKNKJUJXDKJXJZ-UHFFFAOYSA-N;114.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118482;MM118482;C=C1CC(=CC)CO1;SWQUUGISLKOANP-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118483;MM118483;C=C1CC(=CF)CO1;PCQASULDPSLBQT-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118484;MM118484;CC=C1COC(=O)C1;RUKBWRGWBSPQCD-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118485;MM118485;O=C1CC(=CF)CO1;SIZWEUQCTPTGEC-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118486;MM118486;C=C1CC(=NN)CO1;STLPQWYODGWTCG-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118487;MM118487;C=C1CC(=NO)CO1;AIFHMHMEPGJDAW-UHFFFAOYSA-N;113.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118488;MM118488;Nc1cnc(O)[nH]1;DXRCJLWBMRIZEQ-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118489;MM118489;O=C1CC(=NO)CO1;LBTKMPGVQLGVDK-UHFFFAOYSA-N;115.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118490;MM118490;C=C1CNC(=NC)C1;VYFHKAZHPLUZHF-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118491;MM118491;C=C1CNC(=NN)C1;GIFYQPVRTOMBSU-UHFFFAOYSA-N;111.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118492;MM118492;C=Cc1n[nH]c(N)n1;VAZOGXJIQMCZMC-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118493;MM118493;CN=C1CC(=O)CN1;UTBZAVRHDVPHHS-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118494;MM118494;O=C1CNC(=NO)C1;FYXCQDHRMQQTPR-UHFFFAOYSA-N;114.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118495;MM118495;CN=C1CC(=N)NN1;YTIOECNQYRCHNU-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118496;MM118496;N=C1CC(=NN)NN1;OTLWSVAIXSYDNP-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118497;MM118497;N=C1CC(=NO)NN1;OQPCZQMNVIKIJB-UHFFFAOYSA-N;114.11;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118498;MM118498;CN(C=O)C(=N)NC=O;JQGOVGFBLRLXID-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118499;MM118499;O=C1CC(=NO)NN1;MSCPRDMRQHLPQI-UHFFFAOYSA-N;115.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118500;MM118500;C=C1C(=N)NC(=O)C1C;RGELRDKQJQAWGR-UHFFFAOYSA-N;124.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118501;MM118501;NN=C1CC(=O)ON1;BSYCKIOEUXALRX-UHFFFAOYSA-N;115.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118502;MM118502;O=C1CC(=NO)NO1;ZULNKPPZERHCEM-UHFFFAOYSA-N;116.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118503;MM118503;C=C1COC(=CC)C1;PIKFOORJNMFPRE-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118504;MM118504;C=C1COC(=CF)C1;UDBQPAMJXXKLCP-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118505;MM118505;CC=C1CC(=O)CO1;MPFBTDHWTXRJAY-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118506;MM118506;O=C1COC(=CF)C1;TXWLEZYFTDSZDK-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118507;MM118507;CC(CC=NO)C(C)(C)C;YHBOGIXHOZIQMN-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118508;MM118508;C=C1COC(=NO)C1;NMVVAEDLDFXMQC-UHFFFAOYSA-N;113.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118509;MM118509;O=C1COC(=NO)C1;BSWYAQIHJSJJFL-UHFFFAOYSA-N;115.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118510;MM118510;NN=C1CC(=O)NO1;COTJLXMNQLMJEA-UHFFFAOYSA-N;115.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118511;MM118511;O=CN(O)CC(CO)=NO;ZZLDGJWUSRGMBE-UHFFFAOYSA-N;148.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118512;MM118512;CC=C1CCC(=N)N1;BZXJHWUOOYYLOE-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118513;MM118513;N=C1CCC(=CF)N1;VJGFFCQRWCCAFO-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118514;MM118514;CC=C1CCC(=O)N1;JZEVAMZPYJNSBQ-UHFFFAOYSA-N;111.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118515;MM118515;O=C1CCC(=CF)N1;FRXKOGUHQCVVOJ-UHFFFAOYSA-N;115.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118516;MM118516;C=C1CCC(=NC)N1;YCQICVSHOWQOKM-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118517;MM118517;C=C1CCC(=NN)N1;XYJLDTWWBBNYJG-UHFFFAOYSA-N;111.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118518;MM118518;CNC(=O)NC(C)=NC=N;JKQNUSKSUCNOPA-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118519;MM118519;CN=C1CCC(=N)N1;SNDDIMSZGJCPQH-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118520;MM118520;N=C1CCC(=NN)N1;NTXWOAKHYDYRMA-UHFFFAOYSA-N;112.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118521;MM118521;C=CC(=NC=N)NC(C)=O;ZISTULJVQLUCLK-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118522;MM118522;NN=C1CCC(=O)N1;OZJXJUGFKIJQRZ-UHFFFAOYSA-N;113.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118523;MM118523;O=C1CCC(=NO)N1;JGBHARRDIYSHKE-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118524;MM118524;CC=C1CNC(=N)N1;IQCDIUNZGXKERM-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118525;MM118525;N=C1NCC(=CF)N1;GKFQFUIUJGTMBH-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118526;MM118526;CC=C1CNC(=O)N1;RCXUJOBBGPTHDQ-UHFFFAOYSA-N;112.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118527;MM118527;O=C1NCC(=CF)N1;ZWDULRXPKBNAGO-UHFFFAOYSA-N;116.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118528;MM118528;CN=C1CNC(=N)N1;WHOKEBNUNJCYLK-UHFFFAOYSA-N;112.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118529;MM118529;N=C1NCC(=NN)N1;FYRSCUIQERLLNB-UHFFFAOYSA-N;113.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118530;MM118530;N=C1NCC(=NO)N1;QTWBAZBALWMYCM-UHFFFAOYSA-N;114.11;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118531;MM118531;N=CNC(=O)CNC=NO;IFKXPZVMJSVJLB-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118532;MM118532;NN=C1CNC(=O)N1;YRFDEEZZKNLEAP-UHFFFAOYSA-N;114.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118533;MM118533;O=C1NCC(=NO)N1;AMLUCKRTEROLPN-UHFFFAOYSA-N;115.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118534;MM118534;CNNC(=O)NN=CCF;DBMWRJICUIKDSM-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118535;MM118535;CC=C1COC(=O)N1;AZGKLSBSXKXKIV-UHFFFAOYSA-N;113.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118536;MM118536;O=C1NC(=CF)CO1;UAFIFAHXSJHNBJ-UHFFFAOYSA-N;117.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118537;MM118537;CN(C=NO)C=NCCO;PUBDYERJLYMLOT-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118538;MM118538;C=C1NC(=NO)CO1;MRISVYPTYZAUBI-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118539;MM118539;CC=CN(N)C(=O)NC=N;FJSCULRYWGEVQY-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118540;MM118540;CC(=O)N(C)C(=N)NC=O;DBPDRNQVSAWVGI-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118541;MM118541;CCC(C)C(C)CC=NO;UCWZDPNTQQFSSO-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118542;MM118542;CN=C1COC(=O)N1;RJUFEYSBRRHTDO-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118543;MM118543;NN=C1COC(=O)N1;YEJUNPBQTXPPTL-UHFFFAOYSA-N;115.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118544;MM118544;O=C1NC(=NO)CO1;VHVYBDTWCPLRTI-UHFFFAOYSA-N;116.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118545;MM118545;C=C1CNC(=NC)N1;LMZNVFMXEJOPTH-UHFFFAOYSA-N;111.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118546;MM118546;C=C1CNC(=NN)N1;IXIKVVJNIIUYHM-UHFFFAOYSA-N;112.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118547;MM118547;CN=C1NCC(=N)N1;BJRDIPKPAZEIKK-UHFFFAOYSA-N;112.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118548;MM118548;N=C1CNC(=NN)N1;PVYVKUMALDEJND-UHFFFAOYSA-N;113.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118549;MM118549;CC(=NO)NC=COC=O;NSJMXADCYRRPST-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118550;MM118550;NN=C1NCC(=O)N1;WKERJGOORWPEPI-UHFFFAOYSA-N;114.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118551;MM118551;O=C1CNC(=NO)N1;OWGXUZWUFXLJTM-UHFFFAOYSA-N;115.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118552;MM118552;C#CC(=O)CC(F)C=NO;CCAZPDHLEWDPAJ-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118553;MM118553;CC=C1NC(=N)CO1;DETMJHLTPQHKEV-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118554;MM118554;CC=C1NC(=O)CO1;RCARJJBDKNFMFX-UHFFFAOYSA-N;113.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118555;MM118555;O=C1COC(=CF)N1;QZQVHXHHCNIJMM-UHFFFAOYSA-N;117.08;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118556;MM118556;CNNC(=O)N(C=O)C=O;FJAHFYPCZQHTQC-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118557;MM118557;C=C1COC(=NO)N1;DLPAQTCIPAAFFP-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118558;MM118558;O=CCC1CNC(=NO)C1;ASVYMNPOAJBHJT-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118559;MM118559;C#CCC1CC(=NO)NN1;PLNVMYSHMWMEHK-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118560;MM118560;CN=C1NC(=O)CO1;JOMSJLWRODBFNE-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118561;MM118561;NN=C1NC(=O)CO1;NFBWBRYSRNKXNY-UHFFFAOYSA-N;115.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118562;MM118562;O=C1COC(=NO)N1;WBWCVSSNTAUTEX-UHFFFAOYSA-N;116.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118563;MM118563;C=C1CCC(=CC)O1;DAIVZOZPENQMRH-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118564;MM118564;C=C1CCC(=CF)O1;FLBAJYIAUKODFX-UHFFFAOYSA-N;114.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118565;MM118565;CC=C1CCC(=O)O1;CBRZDGMGLYOALR-UHFFFAOYSA-N;112.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118566;MM118566;O=C1CCC(=CF)O1;IPZGJKKAAOFVEW-UHFFFAOYSA-N;116.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118567;MM118567;CCN=C1CC(OC)=NN1;UBNSILHCWQTFBL-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118568;MM118568;C=C1CCC(=NO)O1;BQXGVSLGZZGIJR-UHFFFAOYSA-N;113.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118569;MM118569;CCCc1n[nH]c(NC)n1;DNZPGUZUXQOFLH-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118570;MM118570;O=C1CCC(=NO)O1;BDWWIKFJJPBICR-UHFFFAOYSA-N;115.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118571;MM118571;C=CC12CCC(=NO)N1C2;MYEOEHPIYDDLEQ-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118572;MM118572;NN=C1CNC(=O)O1;NOJPJPNEELQAPN-UHFFFAOYSA-N;115.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118573;MM118573;O=C1NCC(=NO)O1;JNPMTNAXLCASCH-UHFFFAOYSA-N;116.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118574;MM118574;CC=C1COC(=O)O1;SGNPYKFRFLHQPC-UHFFFAOYSA-N;114.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118575;MM118575;O=C1OCC(=CF)O1;PYZBAMBYMZLIFO-UHFFFAOYSA-N;118.06;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118576;MM118576;N=C1CNC(=O)N1;KXALCBULAZGRHX-UHFFFAOYSA-N;99.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118577;MM118577;O=C1OCC(=NO)O1;GNXZYNCAGAEMPG-UHFFFAOYSA-N;117.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118578;MM118578;N=C1NC(=O)C=C1N;LJAUWVZWQVVZQX-UHFFFAOYSA-N;111.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118579;MM118579;N=CN(O)C(=NO)NN;DHDWQTIOFXBIIA-UHFFFAOYSA-N;133.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118580;MM118580;O=C1CNC(=NO)O1;BXXWDOOKPGPKAN-UHFFFAOYSA-N;116.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118581;MM118581;Cn1ccc(O)n1;WIISOYLZJJYTHT-UHFFFAOYSA-N;98.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118582;MM118582;NN=C1OCC(=O)O1;JWIAYGCPHJJWCP-UHFFFAOYSA-N;116.08;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118583;MM118583;O=C1COC(=NO)O1;LKTOQOPVQYLHAR-UHFFFAOYSA-N;117.06;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118584;MM118584;CCC1C=CC(C)C1;KWKAWSQYCXSIML-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118585;MM118585;CC1C=CC(CN)C1;FGSGEOIJBHEIQO-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118586;MM118586;CCc1nc(N=N)c[nH]1;SFCAKLDNEPYCTN-UHFFFAOYSA-N;124.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118587;MM118587;CC1C=CC(CF)C1;AYNDHIWFRBJNMF-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118588;MM118588;CCC1C=CC(N)C1;MOMSGZLYFKPDLE-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118589;MM118589;NCC1C=CC(N)C1;KELACAARXUFEQI-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118590;MM118590;NC1C=CC(CO)C1;UXKZFJDNFBNQHE-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118591;MM118591;NC1C=CC(CF)C1;MMKWZPMUEQCRGZ-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118592;MM118592;CC(=NO)NCC(C)(F)F;VWSSRPBMJIAGRG-UHFFFAOYSA-N;152.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118593;MM118593;NCC1C=CC(O)C1;OGKGJUVNFCBQBQ-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118594;MM118594;OCC1C=CC(O)C1;POCJXFOZRKCVMA-UHFFFAOYSA-N;114.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118595;MM118595;OC1C=CC(CF)C1;LZBSTMWYJRIEJZ-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118596;MM118596;CCC1C=CC(F)C1;IYQUXJCBPAYOAS-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118597;MM118597;NCC1C=CC(F)C1;YCMHQQOQKYDCTF-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118598;MM118598;OCC1C=CC(F)C1;LAVULXOMNRGBOH-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118599;MM118599;CNC1C=CC(C)C1;AUDXWGKHHBJQCM-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118600;MM118600;CNC1C=CC(N)C1;FSMYTDNYBTZIBX-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118601;MM118601;CNC1C=CC(O)C1;YJNMITFVWGICME-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118602;MM118602;CNC1C=CC(F)C1;YAVLMBBOTPPRSE-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118603;MM118603;COC1C=CC(C)C1;DLUSQDSLHWCFKN-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118604;MM118604;COC1C=CC(N)C1;NZGKZRMYVXUMBQ-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118605;MM118605;COC1C=CC(O)C1;ABYAXJPWNDLTMQ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118606;MM118606;COC1C=CC(F)C1;HYFBXVRPDHHWEE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118607;MM118607;CCC1C=CC(C)N1;MBJNDFDTQRWMMB-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118608;MM118608;CC1C=CC(CN)N1;NSTCVAZCEUBBRJ-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118609;MM118609;CC1C=CC(CO)N1;BXLUNFFFIIPMBM-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118610;MM118610;CCC1C=CC(C)O1;HWIQJPZWAAFLJN-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118611;MM118611;CC1C=CC(CN)O1;YIOVKARXGODPPM-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118612;MM118612;CC1C=CC(CO)O1;XKYRLCQHFXJJSZ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118613;MM118613;CC1C=CC(CF)O1;ODNTZVFXVFHXQJ-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118614;MM118614;COC1C=CC(C)O1;YNIOHFKFEHNJDB-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118615;MM118615;CCC1C=NN(C)C1;DHEAFGCWGYSLFH-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118616;MM118616;CN1CC(CN)C=N1;ARMIIXWMRQUKQB-UHFFFAOYSA-N;113.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118617;MM118617;NC(=O)NC(=O)C(N)CF;DMKCUBJCIMDPBO-UHFFFAOYSA-N;149.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118618;MM118618;CN1CC(CF)C=N1;TUCGRBFQMFKTPL-UHFFFAOYSA-N;116.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118619;MM118619;COC1C=NN(C)C1;REUIFMUQKZNOKG-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118620;MM118620;CCC1CN(C)C=N1;GSVYEISIMVOHOC-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118621;MM118621;CN1C=NC(CN)C1;XJPSKIDZBXHVBI-UHFFFAOYSA-N;113.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118622;MM118622;CN1C=NC(CO)C1;JKUZLYGSSDFTNW-UHFFFAOYSA-N;114.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118623;MM118623;CN1C=NC(CF)C1;PFUXUAYKSZDZFO-UHFFFAOYSA-N;116.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118624;MM118624;CN=C(N)C(=O)NC(C)=O;BAQNACUEHJNXKR-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118625;MM118625;C=C(C(=N)NC=O)C(C)F;IMMCPNQKNSFVHJ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118626;MM118626;C=NOCC(O)(C#N)CC;GYPMCTMLNZZOKA-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118627;MM118627;CCN1C=NC(C)C1;PZPDICYPFUPGQJ-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118628;MM118628;CON1C=NC(C)C1;DZZFXMBDAVORHC-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118629;MM118629;CCN1CC(C)C=N1;KOVUILIYWGUXBC-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118630;MM118630;CC(C)c1c[nH]c(C=O)n1;AVBMVVGAPHOELS-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118631;MM118631;CCCC1=NN=C(NN)C1;KRJOOQQJDZREOD-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118632;MM118632;C=CC1C=CC(C)C1;AAYGKFYXCWIHRH-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118633;MM118633;CC1C=CC(C=O)C1;ISKINEUBQWFBIY-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118634;MM118634;CC1C=CC(C#N)C1;KXFPUYOQEIAELY-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118635;MM118635;C=CC1C=CC(N)C1;XRMIOZBEWSWPEV-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118636;MM118636;C=NNC1=CC(=NO)NC1;WHGQROLCELGKNH-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118637;MM118637;O=CC1C=CC(O)C1;HYFJPIKVGJJGFR-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118638;MM118638;N#CC1C=CC(O)C1;VOOUFKPVWBNLCV-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118639;MM118639;C=CC1C=CC(F)C1;XLNZKITZNUCEAS-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118640;MM118640;O=CC1C=CC(F)C1;ANNWLAGOJBUEKD-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118641;MM118641;N#CC1C=CC(F)C1;NZAGDQHOAPSSHV-UHFFFAOYSA-N;111.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118642;MM118642;C=CC1C=CC(C)N1;MGBVHZFUVGVIAU-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118643;MM118643;CC1C=CC(C=O)N1;CAXUBQVTCFCHOW-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118644;MM118644;CC1C=CC(C#N)N1;HSUXTSJMARWYBO-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118645;MM118645;C=CC1C=CC(C)O1;ZTPKQFSHNAIXDJ-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118646;MM118646;CC1C=CC(C=O)O1;UENNCTCIQRHCLB-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118647;MM118647;CC1C=CC(C#N)O1;HYPOYLSVXLZXQP-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118648;MM118648;C=CC1C=NN(C)C1;OETALMVXIDDOSG-UHFFFAOYSA-N;110.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118649;MM118649;ON=CNC=CCC=CF;MAOIMCXUKWGKEY-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118650;MM118650;C=CC1CN(C)C=N1;IZRZSFGWTWOMOV-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118651;MM118651;CC(C)CCC=NO;OYCGXYSCSJVRBU-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118652;MM118652;C=CC=C(C)C=NO;ZUAURQBKJVINAK-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118653;MM118653;C=CN=C1CC=NN1;YOOZCJAGLWJALE-UHFFFAOYSA-N;109.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118654;MM118654;CC1C=CN(C=N)C1;MPPJGBSLJOFVLI-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118655;MM118655;CC1C=CN(C=O)C1;XHGIBOGQLGIDAH-UHFFFAOYSA-N;111.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118656;MM118656;N=CN1C=CC(N)C1;ICTSANZOQSJIMO-UHFFFAOYSA-N;111.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118657;MM118657;NC1C=CN(C=O)C1;QYFIEVICZIJNKR-UHFFFAOYSA-N;112.13;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118658;MM118658;N=CN1C=CC(O)C1;DAIYVSHJVXDYRJ-UHFFFAOYSA-N;112.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118659;MM118659;O=CN1C=CC(O)C1;TVAUEOQAIWDYTA-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118660;MM118660;N=CN1C=CC(F)C1;POOHUSUUORDEPY-UHFFFAOYSA-N;114.12;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118661;MM118661;O=CN1C=CC(F)C1;SBLATQKQYDZPLZ-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118662;MM118662;C=CN1C=NC(C)C1;LIHGCMKBPRCOSU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118663;MM118663;CC1CN(C=N)C=N1;BUUDIJHKIDUOFZ-UHFFFAOYSA-N;111.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118664;MM118664;C=NN1C=NC(C)C1;HYEIWLABCDXRAJ-UHFFFAOYSA-N;111.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118665;MM118665;CC1C=NN(C=N)C1;TWIZTJIXQQHJOC-UHFFFAOYSA-N;111.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118666;MM118666;CC1C=NN(C=O)C1;LEUBZHPKFMCCFI-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118667;MM118667;CC(F)CN(N)C=NO;OIEIWGDRILVCPG-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118668;MM118668;O=CN1CC(O)C=N1;OIBVFWVHIVZIGU-UHFFFAOYSA-N;114.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118669;MM118669;CN1CCC(=O)NC1=N;YUAPKJLVUHDQIL-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118670;MM118670;N=CN=C1CCC(=O)N1;ATGVBKRIAYZHFP-UHFFFAOYSA-N;125.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118671;MM118671;CC1C=CN(C=N)N1;XGMOTLPIWYQMTG-UHFFFAOYSA-N;111.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118672;MM118672;CC1C=CN(C=O)N1;LPZPPEIQNKECRO-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118673;MM118673;CC1C=CN(C=O)O1;LYGVNYJVNFQEHH-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118674;MM118674;C#CC1C=CC(C)C1;DGNORMGNXZBTMA-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118675;MM118675;C#CC1C=CC(N)C1;WGVXXJIMRXCZMZ-UHFFFAOYSA-N;107.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118676;MM118676;OCC1CCC(=NO)N1;QTCINNPBVWCCJY-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118677;MM118677;C#CC1C=CC(F)C1;IVLNKJUASIWKSB-UHFFFAOYSA-N;110.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118678;MM118678;C#CC1C=CC(C)N1;VNQOTYBATSALFH-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118679;MM118679;C#CC1C=CC(C)O1;RYWTUEWBQOKXIE-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118680;MM118680;C#CC1C=NN(C)C1;QKELVGLJURGVFR-UHFFFAOYSA-N;108.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118681;MM118681;CC(=N)N=C(C)NC(N)=O;OHDZAICDQNTMKT-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118682;MM118682;C=C1C=CC(CC)C1;HUPISJCBWDLFPB-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118683;MM118683;C=C1C=CC(CN)C1;XTNFOCREYWPGOH-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118684;MM118684;CC(=N)NC(=O)NCC#N;DEDQKFGUYXMOKK-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118685;MM118685;C=C1C=CC(CF)C1;IXZMXZPEBSLGAM-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118686;MM118686;CCC1C=CC(=O)C1;FDLWRNNTYFAGSQ-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118687;MM118687;O=C1C=CC(CO)C1;GDZDYXOTAFMJQH-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118688;MM118688;O=C1C=CC(CF)C1;DOVGALAVBVPIEJ-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118689;MM118689;C=C1C=CC(NC)C1;DIOOAHOJZKMIRD-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118690;MM118690;CNC1C=CC(=O)C1;NKOBAQKHZFDZLG-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118691;MM118691;C=C1C=CC(OC)C1;WYPVFGQIVKPBCH-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118692;MM118692;COC1C=CC(=O)C1;FXNNWSRLQNFYQI-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118693;MM118693;CCC1C=CC(=N)N1;CCRMZLDOJAZHDN-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118694;MM118694;N=C1C=CC(CN)N1;ZWWITRQRLANJHM-UHFFFAOYSA-N;111.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118695;MM118695;N=C1C=CC(CO)N1;XXEBLEZSCXMYDY-UHFFFAOYSA-N;112.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118696;MM118696;CCC1C=CC(=O)N1;QGIWXPJOFTZUII-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118697;MM118697;NCC1C=CC(=O)N1;VFMJHFKDPLSBKC-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118698;MM118698;O=C1C=CC(CO)N1;NBOYRYFJJZYGLC-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118699;MM118699;O=C1C=CC(CF)N1;HUGKKGNSUFRFOY-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118700;MM118700;C=C1C=CC(CC)O1;LGSKZBMICZFYHC-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118701;MM118701;C=C1C=CC(CN)O1;ZRKGTMMGSAXNRA-UHFFFAOYSA-N;111.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118702;MM118702;C=C1C=CC(CO)O1;JDMVYUAMGIUKJI-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118703;MM118703;C=C1C=CC(CF)O1;QVNSAKQTJMBEJA-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118704;MM118704;CCC1C=CC(=O)O1;GOUILHYTHSOMQJ-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118705;MM118705;NCC1C=CC(=O)O1;BEEYITYFBFRJHD-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118706;MM118706;O=C1C=CC(CO)O1;AWNLUIGMHSSXHB-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118707;MM118707;O=C1C=CC(CF)O1;RCMDDGFEYDNKCJ-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118708;MM118708;C=C1C=CC(OC)O1;HOIMKAPWDOZNRA-UHFFFAOYSA-N;112.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118709;MM118709;COC1C=CC(=O)O1;LRHFWTSUYLXTPU-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118710;MM118710;CCn1ccc(O)c1;YGZCAMASGHIFNB-UHFFFAOYSA-N;111.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118711;MM118711;CCN1C=NC(=O)C1;MGRHYHYRSVUKHG-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118712;MM118712;CC(=N)NC(=O)N(C)C=N;BAFBQMFNOWZWHQ-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118713;MM118713;CC(=O)NC(C=CN)=NO;UQZQQPBTZGUBAE-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118714;MM118714;CON1C=NC(=O)C1;HJELSYUIDPTBNL-UHFFFAOYSA-N;114.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118715;MM118715;C=C1C=NN(CC)C1;PJNPVSLSBNRZGU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118716;MM118716;C#CCn1ccc(O)n1;PIHRZZOYEMZEOD-UHFFFAOYSA-N;122.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118717;MM118717;CCn1ccc(N)n1;PZJGLURDALTFPQ-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118718;MM118718;Cc1c(O)cnn1C;QMKWHULVMWIXFD-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118719;MM118719;CNn1ccc(N)n1;AODAJGORZHSCPM-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118720;MM118720;C=NOC(=O)NOCC=O;LEDOESUXOSMJJU-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118721;MM118721;COn1ccc(N)n1;KZPBUQKDQBKUBE-UHFFFAOYSA-N;113.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118722;MM118722;N#CC(C=CC=NO)=NO;GMMNPTUKLZGRPX-UHFFFAOYSA-N;139.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118723;MM118723;CNNC(=O)C(O)C=CF;URRQJUQRGGPWAF-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118724;MM118724;Nn1c(=O)ncc(=O)n1O;OSXQKRYIWQVKJH-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118725;MM118725;CCn1ncc(=O)o1;SRWNVHNLZFWKIM-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118726;MM118726;CCn1nnc(=N)o1;XOAYEXGXTODSSF-UHFFFAOYSA-N;114.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118727;MM118727;CCn1nnc(=O)o1;IRINGTWIMCRHFX-UHFFFAOYSA-N;115.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118728;MM118728;C=CC1C=CC(=C)C1;PQSYIXXJVJJNBX-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118729;MM118729;C=C1C=CC(C=O)C1;ASSQEEQHRJFEIG-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118730;MM118730;C=C1C=CC(C#N)C1;OWYQIOBYMMEMTO-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118731;MM118731;C=CC1C=CC(=O)C1;MSWGGJQITWIROS-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118732;MM118732;O=CC1C=CC(=O)C1;JWLUKHFSLNQEIB-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118733;MM118733;C=CC1C=CC(=N)N1;INUHFEQNVPIONA-UHFFFAOYSA-N;108.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118734;MM118734;N=C1C=CC(C=O)N1;KQRFSAYCFYLYSD-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118735;MM118735;Nn1[nH]c(O)nc1=O;RFUUOGMETNERHK-UHFFFAOYSA-N;116.08;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118736;MM118736;Nc1nnc(O)[nH]1;XOHBRLLZSIGHDE-UHFFFAOYSA-N;100.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118737;MM118737;C=NOC(COC)=NO;XLZCRYGRPJUICZ-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118738;MM118738;C=CC1C=CC(=C)O1;RZZKNOBDBUAFEB-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118739;MM118739;C=C1C=CC(C=O)O1;SEMGEZNCSCAGPH-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118740;MM118740;C=C1C=CC(C#N)O1;PFMPVGYFIZUFIN-UHFFFAOYSA-N;107.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118741;MM118741;N=Cn1nc(O)c(=O)o1;YAWGTEKDFPPOHE-UHFFFAOYSA-N;129.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118742;MM118742;CNC(C#N)(C=NO)CO;QKSDJTQZKKPTSA-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118743;MM118743;CN=c1[nH]c(F)c(F)n1O;QTWVHZRTCZRKHE-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118744;MM118744;C=C1C=CN(C=N)C1;AIHHYFPYGSDPSO-UHFFFAOYSA-N;108.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118745;MM118745;C=C1C=CN(C=O)C1;HNQMKAWDEXTHIM-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118746;MM118746;C=C1CC(=NC=N)NC1=O;SBXZALWMDMLMKB-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118747;MM118747;Cc1cn(N)cc(O)c1=O;PUDXEJDOHLLUIW-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118748;MM118748;C=CN1C=NC(=O)C1;RURQJLFXTNUDMD-UHFFFAOYSA-N;110.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118749;MM118749;C=CC(=NNC=N)NC=O;JDZHSWPWIIPTQK-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118750;MM118750;O=CN1C=NC(=O)C1;GECNGVWTTCRDKL-UHFFFAOYSA-N;112.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118751;MM118751;C=CC#CC1=NNC(=N)C1;QZDHVFGRJFHBFM-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118752;MM118752;C=NN1C=NC(=O)C1;HTTHUHSPTIJKPF-UHFFFAOYSA-N;111.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118753;MM118753;C=C1C=NN(C=N)C1;RCCQJUSHAKPXMA-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118754;MM118754;C=C1C=NN(C=O)C1;OLSPZIGLNQYKQG-UHFFFAOYSA-N;110.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118755;MM118755;ON=C(CF)CN1CC1;SATBYLOHLLXNSS-UHFFFAOYSA-N;132.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118756;MM118756;C=Cn1ccc(N)n1;DUDSUFXFYYFQHS-UHFFFAOYSA-N;109.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118757;MM118757;CC#CCCC(=NO)NN;WALHWDZPYJSPNL-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118758;MM118758;CC(C#N)C(=O)C(F)C#N;IEUNTMRJEDTSKJ-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118759;MM118759;Cn1c(F)cn(O)c1=O;ZDYVQORLFUVCNK-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118760;MM118760;O=c1n(O)ccn1O;YTGZHGAGZDMOSE-UHFFFAOYSA-N;116.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118761;MM118761;C=Nn1ccc(N)n1;WLAPFGSJELMTRI-UHFFFAOYSA-N;110.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118762;MM118762;NN=CN(O)C(=NO)NN;PAVKFGRJINUDFO-UHFFFAOYSA-N;148.13;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118763;MM118763;O=CC=C1NCC(=NO)N1;KGVQBKPUWWTXNH-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118764;MM118764;Nc1cnn(C=O)n1;SHUYCUNSNDQDBC-UHFFFAOYSA-N;112.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118765;MM118765;Cc1c(N)c(O)c(F)n1O;NUWRKGDFMQOTFZ-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118766;MM118766;Cc1c(O)n(O)n(O)c1=O;YBUAIKPEPDCJDT-UHFFFAOYSA-N;146.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118767;MM118767;N#CCN(O)C(C#N)=NO;BTXPITPBKHHAJY-UHFFFAOYSA-N;140.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118768;MM118768;Oc1occc1F;YVEKIHGXAQFFRN-UHFFFAOYSA-N;102.06;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118769;MM118769;C=Cn1ncc(=O)o1;JAJXQPWEPDRGOC-UHFFFAOYSA-N;112.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118770;MM118770;N=Cn1ncc(=O)o1;IFXNYUBLEINSAL-UHFFFAOYSA-N;113.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118771;MM118771;O=Cn1ncc(=O)o1;DPGUEUNYHJHLFR-UHFFFAOYSA-N;114.06;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118772;MM118772;C=Cn1nnc(=N)o1;IYUBAMPNBYHITN-UHFFFAOYSA-N;112.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118773;MM118773;N=Cn1nnc(=N)o1;QJJMHPDASYFRKJ-UHFFFAOYSA-N;113.08;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118774;MM118774;N=c1nnn(C=O)o1;MKJVNIJUSHRHHH-UHFFFAOYSA-N;114.06;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118775;MM118775;C=Cn1nnc(=O)o1;MZGKOUOJHLKQIW-UHFFFAOYSA-N;113.08;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118776;MM118776;N=Cn1nnc(=O)o1;ZSTJCJXFZGHDDV-UHFFFAOYSA-N;114.06;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118777;MM118777;O=Cn1nnc(=O)o1;BGZIIZIQNYIKMU-UHFFFAOYSA-N;115.05;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118778;MM118778;C#CC1C=CC(=C)C1;VLIYBAPIKPENKU-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118779;MM118779;C#CC1C=CC(=O)C1;QPDXNICUXYLBBE-UHFFFAOYSA-N;106.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118780;MM118780;C#CC1C=CC(=N)N1;JBCOOMNJFSPVQW-UHFFFAOYSA-N;106.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118781;MM118781;C=Cc1coc(O)c1F;GDDNTFJHKMIHJK-UHFFFAOYSA-N;128.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118782;MM118782;C#CC1C=CC(=C)O1;NYLWACOOCTXEQW-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118783;MM118783;COC(C=NO)=C(F)F;PKNQDJGWHOMFMQ-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118784;MM118784;CC=C1C=CC(C)C1;QWNZNDIKEWVUIP-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118785;MM118785;CC1C=CC(=CF)C1;SKULUTPYBUUDGS-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118786;MM118786;CC=C1C=CC(N)C1;SXYIUQCQRBANGJ-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118787;MM118787;NC1C=CC(=CF)C1;LKLZMSLNWOLBSW-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118788;MM118788;C#CC=C1CCC(=NO)N1;SJAYAWQKYKANOX-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118789;MM118789;OC1C=CC(=CF)C1;OYVPQVFHIAIWHA-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118790;MM118790;CC=C1C=CC(F)C1;VGKKLASHFZKRCN-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118791;MM118791;FC=C1C=CC(F)C1;ILTJJYWOJQVSEE-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118792;MM118792;C=CC12CC(=NO)NC1C2;OFUYNDTXLPTUAF-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118793;MM118793;CC1(C)N=CNC1=O;DQFMPTUTAAIXAN-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118794;MM118794;NC1C=CC(=NO)C1;LDJZLAWDVIHHLJ-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118795;MM118795;CCC(N)=CC=NO;DBAXOVAWJBYYRE-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118796;MM118796;ON=C1C=CC(O)C1;CIPAZIVVYRJUBH-UHFFFAOYSA-N;113.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118797;MM118797;CCCCCC=NO;YOIWSDLNGMVRLR-UHFFFAOYSA-N;115.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118798;MM118798;ON=C1C=CC(F)C1;VOZAWJWWIRELQF-UHFFFAOYSA-N;115.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118799;MM118799;CN=C1C=CC(C)N1;PMBRFTOUKCGDGM-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118800;MM118800;CC1C=CC(NN)=N1;POBIKWXYFRPJDQ-UHFFFAOYSA-N;111.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118801;MM118801;CC=C1C=CC(C)O1;NRJMVFYJVGMABQ-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118802;MM118802;CC1C=CC(=CF)O1;ZYVSNSNYKZZUHZ-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118803;MM118803;CC(C)(C)CCC=NO;AFPFZZLOPDQUND-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118804;MM118804;CC1C=CC(=NO)O1;ZSLDMCRZLYDQDW-UHFFFAOYSA-N;113.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118805;MM118805;CC=C1C=NN(C)C1;FOAMXRBESDKVGM-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118806;MM118806;CN1CC(=CF)C=N1;LGCNQYBAPMHJGR-UHFFFAOYSA-N;114.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118807;MM118807;CC(=NC=N)NC(N)=O;GCSSAHURGHKUOK-UHFFFAOYSA-N;128.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118808;MM118808;CN1CC(=NO)C=N1;WVJXUYYCCNSNRN-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118809;MM118809;N=C1NC(C=O)=CC1F;ZYNZFDPIJOWSFZ-UHFFFAOYSA-N;128.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118810;MM118810;C=COC1=NNC(=N)C1;VNGITSSQBACBIF-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118811;MM118811;CCc1ncc(C)n1O;UFPJYFGOQQEZAN-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118812;MM118812;CCC1=NN=C(NN)C1;GWVMVARSARQWBS-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118813;MM118813;CNc1nc(N=N)c[nH]1;VOBUAEIKDBOJLL-UHFFFAOYSA-N;125.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118814;MM118814;N=C(C=C(N)N)NC(N)=O;BHIQDZNIFOJTBP-UHFFFAOYSA-N;143.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118815;MM118815;NC(=O)C(N)C(F)(F)CO;CETUYMDBZDCLJE-UHFFFAOYSA-N;154.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118816;MM118816;ON=C1CN(O)C=N1;WFSWFFSVOCMPJZ-UHFFFAOYSA-N;115.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118817;MM118817;CNc1ccn(C)n1;KHWXEOSBFOWCJU-UHFFFAOYSA-N;111.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118818;MM118818;CC(=NC=NN)NC(N)=O;HWZMZLFKQBDWGI-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118819;MM118819;NN=CNN=CNC(N)=O;KTUASVYJSGSKQP-UHFFFAOYSA-N;144.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118820;MM118820;CNc1ccn(N)n1;HVOVWUWWNHRFNN-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118821;MM118821;C=CNC(=O)NC=NC=N;UQJTUBILXPQDAX-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118822;MM118822;C=CC(F)C(=C)NC=NO;SXQNEEVHYROPKL-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118823;MM118823;CNc1ccn(O)n1;ZQDRHRQCIFYYLC-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118824;MM118824;NNc1ccn(O)n1;SXQSDNJIWUWGFL-UHFFFAOYSA-N;114.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118825;MM118825;ONc1ccn(O)n1;VYDGPQNLVZRBQX-UHFFFAOYSA-N;115.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118826;MM118826;CC(=NN=CNC=O)NN;ZMJQUNRSQOCETD-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118827;MM118827;NNC(=O)NC=NCCO;ZSOUINYQQJBXDJ-UHFFFAOYSA-N;146.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118828;MM118828;Cn1ncc(NO)n1;WQLSSLUXULOLOJ-UHFFFAOYSA-N;114.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118829;MM118829;C#Cc1nnc(C=O)n1O;JBFDOIHLRJRLDI-UHFFFAOYSA-N;137.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118830;MM118830;C#CCCOC(CF)=NO;RAXZMFVZARKSTK-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118831;MM118831;Nc1c(O)c(F)c(F)n1O;KKXPEOPMYVICPW-UHFFFAOYSA-N;150.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118832;MM118832;C#CCCC(=NO)NC=C;SCULNUOGYVPHDP-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118833;MM118833;Cn1ccc(=NO)o1;JKZRQZJHMVYVAL-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118834;MM118834;C#CC(CF)C(=O)NC=N;BCYKOWDMHQVXQW-UHFFFAOYSA-N;142.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118835;MM118835;Nn1ccc(=NO)o1;FEFNNCBLLVBPKB-UHFFFAOYSA-N;115.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118836;MM118836;C=CC(=NN)C(=O)NC=N;HUWBMSFKKMTOHF-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118837;MM118837;CN=c1ncn(C)o1;ZEYFBRKWOPHHAT-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118838;MM118838;C=CC12CC1CC(=NO)N2;QHAMHQCOAFZPPW-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118839;MM118839;Cn1cnc(=NO)o1;BOKOSKKROCDUPT-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118840;MM118840;CN=c1ncn(N)o1;YOEJUEVHTRTZTQ-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118841;MM118841;C=CC12CC(C1)C(=NO)N2;HSGRAYQXNCQPEJ-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118842;MM118842;Nn1cnc(=NO)o1;HNZIEHWVCMAVGY-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118843;MM118843;CNc1[nH]oc(=NN)c1N;AALZREDJEXPQHS-UHFFFAOYSA-N;143.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118844;MM118844;C=C1CC(=O)NC1=N;WRKBHDPFQBDMDK-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118845;MM118845;CN=c1nnn(C)o1;JQXNBZKMTUFZFF-UHFFFAOYSA-N;114.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118846;MM118846;Cn1nnc(=NN)o1;PUALUPLVBUBMDU-UHFFFAOYSA-N;115.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118847;MM118847;Cn1nnc(=NO)o1;MSNLPVGBHVAESM-UHFFFAOYSA-N;116.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118848;MM118848;C=C1C=CC(=CC)C1;VFGSOMPJNCBDTA-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118849;MM118849;C=C1C=CC(=CF)C1;AFBYEXLZCMLHNM-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118850;MM118850;CC=C1C=CC(=O)C1;PEYOOLQKSVLGOY-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118851;MM118851;O=C1C=CC(=CF)C1;HBPQPGLPFOEVPJ-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118852;MM118852;C=C1C=CC(=NN)C1;KPTZTVPPZYGDFQ-UHFFFAOYSA-N;108.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118853;MM118853;CC(=NO)NNC=O;UHFQCXWJDFPVNE-UHFFFAOYSA-N;117.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118854;MM118854;O=C1C=CC(=NO)C1;QCRDEVVTJABBCN-UHFFFAOYSA-N;111.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118855;MM118855;CC=C1C=CC(=N)N1;QJRQQIDIYGXOKB-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118856;MM118856;N=C1C=CC(=CF)N1;IOHYGHFWBSEVLR-UHFFFAOYSA-N;112.11;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118857;MM118857;CC=C1C=CC(=O)N1;ARMOIZFNBKMKSS-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118858;MM118858;O=C1C=CC(=CF)N1;GCVARSLJPUQGGO-UHFFFAOYSA-N;113.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118859;MM118859;C=C1C=CC(=NC)N1;AQFMZAUYGUUMIH-UHFFFAOYSA-N;108.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118860;MM118860;C=C1C=CC(=NO)N1;JEOHRKGJHYLUCZ-UHFFFAOYSA-N;110.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118861;MM118861;CN=C1C=CC(=N)N1;MSMWDZQFXXGEIU-UHFFFAOYSA-N;109.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118862;MM118862;CN=C1C=CC(=O)N1;ZLZMACMGQDLASM-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118863;MM118863;NN=C1C=CC(=O)N1;ZQPRRKPNMFLOOJ-UHFFFAOYSA-N;111.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118864;MM118864;C=Cc1c[nH]c(=N)[nH]1;QRVPWWHJIUNSOT-UHFFFAOYSA-N;109.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118865;MM118865;N=C1N=CC(=CN)N1;GCYQAOFCSCCBBB-UHFFFAOYSA-N;110.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118866;MM118866;N=C1N=CC(=CF)N1;XCFYSHXYVLFLAF-UHFFFAOYSA-N;113.1;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118867;MM118867;C=Cc1c[nH]c(=O)[nH]1;LADNVFNFDHUFLU-UHFFFAOYSA-N;110.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118868;MM118868;NC=C1C=NC(=O)N1;DVPZICRKUHYMBB-UHFFFAOYSA-N;111.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118869;MM118869;O=C1N=CC(=CF)N1;KLVKBTJXPJCVSS-UHFFFAOYSA-N;114.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118870;MM118870;N=Nc1c[nH]c(=N)[nH]1;RLSUJOLZFBZIEI-UHFFFAOYSA-N;111.11;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118871;MM118871;CN=C1C=NC(=O)N1;TYGATTYWKRTYAT-UHFFFAOYSA-N;111.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118872;MM118872;N=Nc1c[nH]c(=O)[nH]1;IGAXZOAPYRPCHU-UHFFFAOYSA-N;112.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118873;MM118873;O=Nc1c[nH]c(=O)[nH]1;JYHJSNYCWQEKDZ-UHFFFAOYSA-N;113.08;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118874;MM118874;C=C1C=NC(=NC)N1;HHTZNVMEBYBSOX-UHFFFAOYSA-N;109.13;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118875;MM118875;C=C1C=NC(=NO)N1;PHJIYDRDLKVYJV-UHFFFAOYSA-N;111.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118876;MM118876;CC1N(C)CC1(O)C#N;KSWPWSVWDWGVLD-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118877;MM118877;N=C1C=NC(=NO)N1;XOVBVLLFWXNMCM-UHFFFAOYSA-N;112.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118878;MM118878;CN=C1N=CC(=O)N1;SGHLLEPKORTCLM-UHFFFAOYSA-N;111.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118879;MM118879;NN=C1N=CC(=O)N1;ZJJPZEAKVYLJMU-UHFFFAOYSA-N;112.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118880;MM118880;C=c1ccc(=CC)o1;QUAAVWJABLWEIZ-UHFFFAOYSA-N;108.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118881;MM118881;C=c1ccc(=CF)o1;GHMWSSRNRRHBIW-UHFFFAOYSA-N;112.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118882;MM118882;CC=C1C=CC(=O)O1;UBTPQJCPHOHKMF-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118883;MM118883;O=C1C=CC(=CF)O1;GLJZDOFSZVGQKD-UHFFFAOYSA-N;114.08;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118884;MM118884;NN(C=NO)CCCF;SXHSWQQDBLUUJZ-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118885;MM118885;C=C1C=CC(=NO)O1;GFLSMFYOQWKKJM-UHFFFAOYSA-N;111.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118886;MM118886;CCC(C)CCC=NO;OPPOEOKQXUZDBZ-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118887;MM118887;CCOC(=NO)C(C)(C)F;LATYBIMORLZCJB-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118888;MM118888;N=Nc1c[nH]c(=O)o1;VSMDVTIWMUIHPK-UHFFFAOYSA-N;113.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118889;MM118889;O=Nc1c[nH]c(=O)o1;ALZDAKDIELDGFQ-UHFFFAOYSA-N;114.06;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118890;MM118890;CN=C1N=CC(=O)O1;UNXDSTUHDNCWGC-UHFFFAOYSA-N;112.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118891;MM118891;Cc1nc(O)c(N)n1C;MKVLORVLGNMHOA-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118892;MM118892;CCC1CC=C(C)C1;BHNKGPZLWCLEFM-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118893;MM118893;CC1=CCC(CN)C1;WWRKZDGZBWEUDI-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118894;MM118894;CCc1cnc(C)n1O;YCFYIGQDEHSETO-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118895;MM118895;CC1=CCC(CF)C1;GDMQSWDFDDAMFJ-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118896;MM118896;CCC1CC=C(F)C1;PTDLWROAEBZLCO-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118897;MM118897;NCC1CC=C(F)C1;AWRRHLPSLOWTLE-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118898;MM118898;OCC1CC=C(F)C1;XQEHDWBFEPMKAL-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118899;MM118899;FCC1CC=C(F)C1;ILGZLNKLOONNOV-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118900;MM118900;CNC1CC=C(C)C1;WKLPJXCIPYWYPK-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118901;MM118901;CNC1CC=C(F)C1;BRYPNENYRWHLID-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118902;MM118902;COC1CC=C(C)C1;HRNSMAQUYFIETK-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118903;MM118903;COC1CC=C(F)C1;OWCFLJVVODMFNF-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118904;MM118904;CCC1CC(C)=NN1;ATZWERBCXRGRNS-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118905;MM118905;CC1=NNC(CN)C1;POAVUQUGEXPVJR-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118906;MM118906;COC=CC(=N)NC(N)=O;FRKXMKLQHRXFNA-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118907;MM118907;CC1=NNC(CF)C1;BPSOLJGCQHAVOM-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118908;MM118908;CCC1CC(C)=CO1;QSKMAWJFQJCPJL-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118909;MM118909;CC1=COC(CN)C1;UKFQYBTXQAQTHB-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118910;MM118910;CC1=COC(CO)C1;QJGWUJZTNBJEEH-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118911;MM118911;CC1=COC(CF)C1;OFJWCZYWFMKHRM-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118912;MM118912;CCC1CC(F)=CO1;ZQSRRSUJSPFCPF-UHFFFAOYSA-N;116.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118913;MM118913;NCC1CC(F)=CO1;PEIDZFOIOFXCJN-UHFFFAOYSA-N;117.12;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118914;MM118914;OCC1CC(F)=CO1;URTSXHZHAZNRMK-UHFFFAOYSA-N;118.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118915;MM118915;FCC1CC(F)=CO1;KNWKJUNXJODFIX-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118916;MM118916;COC1CC(C)=CO1;FNXYKASHIUMKOH-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118917;MM118917;COC1CC(F)=CO1;CEIWFHQOHWPLKU-UHFFFAOYSA-N;118.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118918;MM118918;CCC1CC(C)=NO1;WLGWHHKJFPUADB-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118919;MM118919;CC1=NOC(CN)C1;WGEHEKHOMIDZQR-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118920;MM118920;CCC(=N)NC(=O)C=CF;LUCGCAXCDTVZLT-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118921;MM118921;CC1=NOC(CF)C1;NWYKESVSIRYIII-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118922;MM118922;COC1CC(C)=NO1;ICPQIWSBKQODHC-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118923;MM118923;CCC1CN=C(C)N1;ONGNQBYRKXMMLY-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118924;MM118924;CC1=NC(CN)CN1;BNEMQQXJCVQTOB-UHFFFAOYSA-N;113.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118925;MM118925;CC1=NCC(CO)N1;NSFOLYIRSSPIQK-UHFFFAOYSA-N;114.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118926;MM118926;CC1=NC(CF)CN1;KPJMRWJDDGULKH-UHFFFAOYSA-N;116.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118927;MM118927;CCC1CC=C(C)O1;LVQVHNUVXCHYIY-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118928;MM118928;CC1=CCC(CN)O1;SFDFIKOBKPYCAM-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118929;MM118929;CC1=CCC(CO)O1;GKBOCXDRSYRPLO-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118930;MM118930;CC1=CCC(CF)O1;OCGMTMMHQZMPES-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118931;MM118931;COC1CC=C(C)O1;IXPOJZAVORAWHU-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118932;MM118932;CCC1OC=C(C)O1;NAUUGJQNJLVVKG-UHFFFAOYSA-N;114.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118933;MM118933;CC1=COC(CN)O1;MXHFORHNIXHRQK-UHFFFAOYSA-N;115.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118934;MM118934;CC1=COC(CO)O1;UDULOQUACLIUPH-UHFFFAOYSA-N;116.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118935;MM118935;CCC1ON=C(C)O1;XEIGWUVKTGWZHV-UHFFFAOYSA-N;115.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118936;MM118936;CC1=NOC(CO)O1;CEXNOAULTLFFNZ-UHFFFAOYSA-N;117.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118937;MM118937;CC1=NOC(CF)O1;PNLADYRGTRDQCK-UHFFFAOYSA-N;119.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118938;MM118938;CCN1CC=C(C)C1;KSFQUXXAGREDGE-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118939;MM118939;C=CC1CC=C(C)C1;ARNCFPCJRQUHAQ-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118940;MM118940;CC1=CCC(C=O)C1;HLZQQSODQORZQZ-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118941;MM118941;CC1=CCC(C#N)C1;NBFKBDYYZVUJKS-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118942;MM118942;C=CC1CC=C(F)C1;VFCKAMSQOWGGLS-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118943;MM118943;O=CC1CC=C(F)C1;VPIAJPGWRJARIF-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118944;MM118944;N#CC1CC=C(F)C1;XJHAGWZIYMEBOA-UHFFFAOYSA-N;111.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118945;MM118945;C=CC1CC(C)=NN1;FRUDOJONIWMKME-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118946;MM118946;CN(C)C=NN=CNC=O;GBYBCLPLPHIERQ-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118947;MM118947;C=C(OCC)C(=O)NC=N;WSAXOJWQXGQPSE-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118948;MM118948;C=CC1CC(C)=CO1;SQDLNBAFQVKNJY-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118949;MM118949;CC1=COC(C=O)C1;SNAFDCDQNUTQSC-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118950;MM118950;CC1=COC(C#N)C1;PJEYFDHNKRZYHO-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118951;MM118951;C=CC1CC(F)=CO1;WIQNRVJXCZQSOG-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118952;MM118952;O=CC1CC(F)=CO1;ABOQYGRWJFOLDM-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118953;MM118953;N#CC1CC(F)=CO1;XJFKCVRMGWRUIW-UHFFFAOYSA-N;113.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118954;MM118954;C=CC1CC(C)=NO1;MWFHNPAJHXBJMS-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118955;MM118955;CCN1CC(O)(C#N)C1C;DLJXVUGFVHBBFF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118956;MM118956;CC1=NOC(C#N)C1;TYIDIIXKMCEOHC-UHFFFAOYSA-N;110.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118957;MM118957;C=CC1CNC(C)=N1;XYFUODJCNNUYFX-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118958;MM118958;CC1=NC(C=O)CN1;QGHPAXGSRIQLMU-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118959;MM118959;C=CC1CC=C(C)O1;UECVNTQNUWIPFY-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118960;MM118960;CC1=CCC(C=O)O1;KIMNKPDHUDCCQJ-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118961;MM118961;CC1=CCC(C#N)O1;YJLBJPWCODRZCP-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118962;MM118962;C=CC1OC=C(C)O1;WVRZOQMXQQOXRV-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118963;MM118963;CC1=COC(C=O)O1;ZDDWEQRWPKJPQK-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118964;MM118964;CC1=COC(C#N)O1;SHUMHUZDDBJSRA-UHFFFAOYSA-N;111.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118965;MM118965;C=CC1ON=C(C)O1;QMMDQTLUOPDVGA-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118966;MM118966;CC1=NOC(C=O)O1;NCSZFRNPJJMNMM-UHFFFAOYSA-N;115.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118967;MM118967;CC1=CCN(C=N)C1;YZIZUPOMCGPGMO-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118968;MM118968;CC1=CCN(C=O)C1;WFZJFQJNXQUXFP-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118969;MM118969;N=CN1CC=C(F)C1;KCFDAMJEZFWYFC-UHFFFAOYSA-N;114.12;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118970;MM118970;O=CN1CC=C(F)C1;FZCNMAKYUJBTIJ-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118971;MM118971;C=NN1CC=C(C)C1;HWGXLRJRQBUKAU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118972;MM118972;C=NN1CC=C(F)C1;MWZQTVXMMBULIW-UHFFFAOYSA-N;114.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118973;MM118973;C#CC1CC=C(C)C1;CAQHONMZEDOKPJ-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118974;MM118974;C#CC1CC=C(F)C1;JBVUTBAMXXKJID-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118975;MM118975;C=CCCC(N)=CC=NO;CDXMFVDGLPCFMZ-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118976;MM118976;C#CC1CC(C)=CO1;VOFRYDCURRMDSA-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118977;MM118977;C#CC1CC(F)=CO1;GHYYZNCHMVUVOB-UHFFFAOYSA-N;112.1;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118978;MM118978;C#CC1CC(C)=NO1;QRTYEJPDHNKWAQ-UHFFFAOYSA-N;109.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118979;MM118979;C#CC1CNC(C)=N1;YCUXMGYFTLKUIG-UHFFFAOYSA-N;108.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118980;MM118980;C#CC1CC=C(C)O1;NRVUJSSWPSYALA-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118981;MM118981;C#CC1OC=C(C)O1;OTHGWBHLHXUWII-UHFFFAOYSA-N;110.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118982;MM118982;C#CC1ON=C(C)O1;HPHIYUFIUDZKLE-UHFFFAOYSA-N;111.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118983;MM118983;CC=C1CC=C(C)C1;CXTRVAJKGKJFCS-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118984;MM118984;CC1=CCC(=CF)C1;VXFCTXRKFYAADA-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118985;MM118985;CC=C1CC=C(F)C1;NBRPNGCXBMOUJD-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118986;MM118986;FC=C1CC=C(F)C1;WHBSDLPJUXBKNC-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118987;MM118987;CC1=CCC(=NN)C1;HSWSOMKFNPPXNE-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118988;MM118988;CC1=CCC(=NO)C1;OGGWCTPABIDYMW-UHFFFAOYSA-N;111.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118989;MM118989;N=CN(N)C(=O)NOC=O;MBPPEFDSZOJSFQ-UHFFFAOYSA-N;146.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118990;MM118990;ON=C1CC=C(F)C1;PLSFLWQUYUJVGD-UHFFFAOYSA-N;115.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118991;MM118991;CN=C1CC(C)=CN1;IOJKSQVJZLGONT-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118992;MM118992;CC1=CN=C(NN)C1;CTDZAJWQUTWLNC-UHFFFAOYSA-N;111.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118993;MM118993;CNC1=NC=C(F)C1;ZGGTWAWHMDULLQ-UHFFFAOYSA-N;114.12;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118994;MM118994;CC(CO)C(=NO)N(C)C;CGBOPOLOFVAYDM-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118995;MM118995;ON=C1CC(F)=CN1;MUOZAWNCRXWJGX-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118996;MM118996;N#CCNNC(=NO)NO;QTQKOIXVKTWOOJ-UHFFFAOYSA-N;145.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118997;MM118997;C#CCN1C=CC(=NO)C1;AHLSCSVDNIREOE-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118998;MM118998;CC1=NN=C(NO)C1;TZAXFANLARQUIA-UHFFFAOYSA-N;113.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM118999;MM118999;CC=C1CC(C)=CO1;QEOIJCOVMXGECL-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119000;MM119000;CC1=COC(=CF)C1;MDJUNQZCSOJZFT-UHFFFAOYSA-N;114.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119001;MM119001;CC=C1CC(F)=CO1;AMNJRCGECAYRJD-UHFFFAOYSA-N;114.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119002;MM119002;FC=C1CC(F)=CO1;CQVOYKNTOHLBES-UHFFFAOYSA-N;118.08;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119003;MM119003;CCNc1nnc(NC)[nH]1;OLLGYGGICWIRJK-UHFFFAOYSA-N;141.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119004;MM119004;CC1=COC(=NO)C1;RGVHFSYIIMYXJL-UHFFFAOYSA-N;113.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119005;MM119005;C#CCC1=CC(=NO)CN1;OAVPZGLDHLPHEW-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119006;MM119006;ON=C1CC(F)=CO1;TZPBPRMRYQBOEW-UHFFFAOYSA-N;117.08;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119007;MM119007;CC1=NOC(=NN)C1;VNPMUTDPVYZDHH-UHFFFAOYSA-N;113.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119008;MM119008;CC1=NOC(=NO)C1;QTOZZTZPYBTJKN-UHFFFAOYSA-N;114.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119009;MM119009;CN=C1CC=C(C)N1;PTWOOPJQPMHZFY-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119010;MM119010;CC1=CCC(=NN)N1;AGZJCSVSVFYMBZ-UHFFFAOYSA-N;111.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119011;MM119011;C=CC(CCN1CC1)=NO;MDJUNHDLEUYISW-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119012;MM119012;CC=C1CN=C(C)N1;MQXFMNPTJWSAEE-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119013;MM119013;CC(=NO)NCC#N;DTUXVMXVJFVUER-UHFFFAOYSA-N;113.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119014;MM119014;CN=c1[nH]cc(C)[nH]1;DUNCFXRDLIKJFJ-UHFFFAOYSA-N;111.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119015;MM119015;Cc1c[nH]c(=NN)[nH]1;QHOVBQIPOSALIP-UHFFFAOYSA-N;112.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119016;MM119016;CN=c1[nH]cc(N)[nH]1;RECYNMMRWQRCOT-UHFFFAOYSA-N;112.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119017;MM119017;NN=c1[nH]cc(N)[nH]1;NEAFCPVBHPWEQA-UHFFFAOYSA-N;113.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119018;MM119018;CN=c1[nH]cc(O)[nH]1;UQKYMWMAYLIHDY-UHFFFAOYSA-N;113.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119019;MM119019;CN=c1[nH]cc(F)[nH]1;NERADGYETHKFKH-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119020;MM119020;ON=c1[nH]cc(F)[nH]1;WCWOKBYGXYATJX-UHFFFAOYSA-N;117.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119021;MM119021;CCC(F)(F)C(O)C=NO;UJUFECOZODIWEM-UHFFFAOYSA-N;153.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119022;MM119022;C=CC(N)=CC(C)=NO;LOFMHDGWXDZBDN-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119023;MM119023;CN=c1[nH]c(N)co1;VEXSNUGREIWICK-UHFFFAOYSA-N;113.12;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119024;MM119024;Nc1coc(=NO)[nH]1;KDXZRGJJFNAFNN-UHFFFAOYSA-N;115.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119025;MM119025;CC(C#N)=CC(CF)=NO;XZQBKQCRLSMBNH-UHFFFAOYSA-N;142.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119026;MM119026;O=CNC(=O)C(O)C=NO;FBUWANJTHVWYHG-UHFFFAOYSA-N;146.1;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119027;MM119027;CCCn1ccc(O)n1;RERVBTFJKXKUPC-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119028;MM119028;CCn1ccc(O)n1;FEMMUBXQRZJIIE-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119029;MM119029;CCOC(=O)C(O)C=NO;ZJBYKMRKMLFTIT-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119030;MM119030;C=NN(C=N)C(C#N)=NO;BLHXBXXQDCYFLP-UHFFFAOYSA-N;139.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119031;MM119031;N#CCn1ccc(O)n1;YNGZILKLKXJJIB-UHFFFAOYSA-N;123.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119032;MM119032;CCn1ncc(O)c1C;OZKILHDBRBRMEQ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119033;MM119033;Nc1ncc(O)o1;SEPVTUBVQQGXRX-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119034;MM119034;C=NOC(C=O)=NO;TYZNHQOVROGEMJ-UHFFFAOYSA-N;116.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119035;MM119035;Cn1c(O)c(F)oc1=N;LTCQFDNHSARHDH-UHFFFAOYSA-N;132.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119036;MM119036;CC=C1CC=C(C)O1;UGKKJSRUZOGIBS-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119037;MM119037;CC1=CCC(=CF)O1;DMSNCBNUGZJISV-UHFFFAOYSA-N;114.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119038;MM119038;CCCC1=NNC(=N)C1;XTXVQAXCERBRAM-UHFFFAOYSA-N;125.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119039;MM119039;CC1=CCC(=NO)O1;BQGLLXAFSXCYCY-UHFFFAOYSA-N;113.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119040;MM119040;NNC(=O)C#CC1CN1;ZKCLELREQRRJJQ-UHFFFAOYSA-N;125.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119041;MM119041;NN=c1[nH]cc(N)o1;UPODOIXKNHFDOZ-UHFFFAOYSA-N;114.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119042;MM119042;CCN=c1cc(C#N)[nH]o1;CNYFINVXYKXWCN-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119043;MM119043;Cc1[nH]oc(=O)c1F;ITNNJRYMAASNQN-UHFFFAOYSA-N;117.08;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119044;MM119044;Cc1c(N)n(O)c(=O)n1O;VCRKGOACDVTVGG-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119045;MM119045;Cn1c(O)c(O)c(=O)n1O;UFGDKNYWDXJXKH-UHFFFAOYSA-N;146.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119046;MM119046;Cc1coc(F)c1O;BWBPVOXZNOTHRR-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119047;MM119047;On1nc(F)cc1F;ZCUDPHOWSSGAIL-UHFFFAOYSA-N;120.06;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119048;MM119048;O=CC#CC(C=O)=NO;QOMLCEKKTQQSGV-UHFFFAOYSA-N;125.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119049;MM119049;C#CC(=NO)C(F)=CF;KDNQOBZJIHVQQT-UHFFFAOYSA-N;131.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119050;MM119050;ON=C(CF)OC1CC1;RFFPMMTXEZPQDD-UHFFFAOYSA-N;133.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119051;MM119051;Nc1c(C=O)nnn1O;KRTKKCWQMMKWSS-UHFFFAOYSA-N;128.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119052;MM119052;N=c1[nH]c(=O)[nH]c(=O)n1O;NEUQKNUNNFSBQE-UHFFFAOYSA-N;144.09;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119053;MM119053;COC=NOC(C=O)=NO;WOXBKBMPIUCOPR-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119054;MM119054;CC(F)C(CCF)=NO;VBFFHSFCWCBYGX-UHFFFAOYSA-N;137.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119055;MM119055;CC(F)(F)CC(F)C=NO;CZPKCWRACKNNHX-UHFFFAOYSA-N;155.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119056;MM119056;N#CCC(=O)C(O)C=NO;PBCWTXIKXZZCAB-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119057;MM119057;CCC1=CCC(C)C1;GULKTDUYUMMMSV-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119058;MM119058;CC1CC=C(CN)C1;JSVMDDFKOJJRNU-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119059;MM119059;CC1CC=C(CO)C1;GDRAGWPTTIHMHM-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119060;MM119060;CC1CC=C(CF)C1;ADMOIUSNUFNVNH-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119061;MM119061;CCC1=CCC(N)C1;BMERVZHAZHFCOB-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119062;MM119062;NCC1=CCC(N)C1;NRMZKAHIWMRXES-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119063;MM119063;NC1CC=C(CO)C1;LODIITARAXYLIV-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119064;MM119064;NC1CC=C(CF)C1;HHAGZHBKJJAINC-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119065;MM119065;CCC(C)(C)CCC=NO;WNZKEJAQQPHXRZ-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119066;MM119066;NCC1=CCC(O)C1;KAIFVPLXFWYPDO-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119067;MM119067;OCC1=CCC(O)C1;CVAIYCYLQKGLIG-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119068;MM119068;OC1CC=C(CF)C1;XOKZYWDDADCWHM-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119069;MM119069;CCC1=CCC(F)C1;AIAORMNTBLATNI-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119070;MM119070;NCC1=CCC(F)C1;XTBRVRKAFSPGFR-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119071;MM119071;OCC1=CCC(F)C1;GQFCJNBRBAGMOZ-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119072;MM119072;FCC1=CCC(F)C1;RDVLMPUUPVTRON-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119073;MM119073;COC1=CCC(C)C1;HQHIQOXELGQOKO-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119074;MM119074;COC1=CCC(N)C1;UQTHSQKIQNQFFO-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119075;MM119075;COC1=CCC(O)C1;ABUFVQQQKASOHL-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119076;MM119076;COC1=CCC(F)C1;DAJQEQRYMGOIHX-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119077;MM119077;CCC1=COC(C)C1;VZVFZTCUNRNDOO-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119078;MM119078;CC1CC(CN)=CO1;DWEKZIHHPUJNEZ-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119079;MM119079;CC1CC(CO)=CO1;UKHWFRLESGJOKV-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119080;MM119080;CC1CC(CF)=CO1;LWNROGDIDVWCQT-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119081;MM119081;COC1=COC(C)C1;BLGQBCJNSYBSDS-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119082;MM119082;CCC1=NNC(C)C1;JGTXZZJCAVKRPL-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119083;MM119083;CC(=NO)NCCC(F)F;VWOBOTFUZTZACQ-UHFFFAOYSA-N;152.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119084;MM119084;CC1CC(CF)=NN1;ZYVVVMKPNMHYRC-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119085;MM119085;C=CC(F)CN(N)C=NO;DPPIPFIRWNMAIS-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119086;MM119086;CCC1=NOC(C)C1;UEKMLXHTQCTALY-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119087;MM119087;CC1CC(CN)=NO1;OGPKKHIMHVLSJE-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119088;MM119088;C=CN=C(C)NC(=O)NC;NHYUNTJRHCEMRJ-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119089;MM119089;CC1CC(CF)=NO1;JQQNHVJQMSAWLG-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119090;MM119090;CC1CC(=NO)NO1;WILKIKQRWVFIEZ-UHFFFAOYSA-N;116.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119091;MM119091;COC1=NOC(C)C1;LVPBYXYWLQWUJA-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119092;MM119092;CCC1=NC(C)CN1;SHYARJUKNREDGB-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119093;MM119093;CC1CN=C(CN)N1;WALOTZSLVFYCSQ-UHFFFAOYSA-N;113.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119094;MM119094;CC1CN=C(CO)N1;NVOTXLOBRSVOGI-UHFFFAOYSA-N;114.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119095;MM119095;CC1CN=C(CF)N1;IJYHIWIEAIDSSL-UHFFFAOYSA-N;116.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119096;MM119096;CNC1=NCC(C)N1;ZFMMYXPDHGNXEN-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119097;MM119097;CC1CN=C(NN)N1;CIBLXTODNUIZIS-UHFFFAOYSA-N;114.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119098;MM119098;CC1CN=C(NO)N1;YNTCYXPFCUGYJS-UHFFFAOYSA-N;115.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119099;MM119099;CCC1=CCC(C)O1;OAIHBTJJIPXMEU-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119100;MM119100;CC1CC=C(CN)O1;LAHSTXGEMYQMLU-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119101;MM119101;CC1CC=C(CO)O1;LZUWGLQEZHKPAX-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119102;MM119102;CC1CC=C(CF)O1;JJRJOHSBVPERKC-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119103;MM119103;CCC1=COC(C)O1;IFESCOSMGBBRAE-UHFFFAOYSA-N;114.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119104;MM119104;CC1OC=C(CN)O1;ZEHZNIMLKOTOKV-UHFFFAOYSA-N;115.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119105;MM119105;CC1OC=C(CO)O1;PXVLWFKJPVSXKB-UHFFFAOYSA-N;116.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119106;MM119106;CC1OC=C(CF)O1;YYOGUQGSXUQPHY-UHFFFAOYSA-N;118.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119107;MM119107;CCN=CNC(=O)NNC;HJXBPHFGXVMHHZ-UHFFFAOYSA-N;144.18;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119108;MM119108;CCC1=NOC(C)O1;SPGISILYSDSGRQ-UHFFFAOYSA-N;115.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119109;MM119109;CC1ON=C(CO)O1;SUKGIDRFJIIPHJ-UHFFFAOYSA-N;117.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119110;MM119110;CC1ON=C(CF)O1;CIJLSTGAXKKSSG-UHFFFAOYSA-N;119.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119111;MM119111;CNC1=NOC(C)O1;BOVXXMREHFMYMD-UHFFFAOYSA-N;116.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119112;MM119112;CCN=CNC(=O)N(C)N;KLWGRPJCAQPQNF-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119113;MM119113;Cc1cc(=O)c(O)cn1N;XBSFCSKYOPUUHA-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119114;MM119114;COC1=NOC(C)O1;NKJXHUXEPMODJS-UHFFFAOYSA-N;117.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119115;MM119115;CCC1=CCN(C)C1;QQJOUDZCGYMMMH-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119116;MM119116;CN1CC=C(CN)C1;NMHRXJXGVOJLIO-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119117;MM119117;CN1CC=C(CO)C1;HMOTTXKDMAPXDF-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119118;MM119118;CN1CC=C(CF)C1;XDVHDRUTFYQYFA-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119119;MM119119;C=CC1=CCC(C)C1;LTQAAPIWENGNGO-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119120;MM119120;CC1CC=C(C=O)C1;QYBDFAIDOWDYHP-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119121;MM119121;CC1CC=C(C#N)C1;ZSWZMJOVWKSGCX-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119122;MM119122;C=CC1=CCC(N)C1;YYPRRAHKTWFAHO-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119123;MM119123;NC(CCC(=O)C=O)=NO;XHFLQOOUFUNHJC-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119124;MM119124;O=CC1=CCC(O)C1;DSVPXQMOHNBKTO-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119125;MM119125;N#CC1=CCC(O)C1;INGNFISUFNWHDC-UHFFFAOYSA-N;109.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119126;MM119126;C=CC1=CCC(F)C1;UVEFGBBKMYLGPB-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119127;MM119127;O=CC1=CCC(F)C1;MKRAHCXFPNDLFS-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119128;MM119128;N#CC1=CCC(F)C1;PXYKBJYPOALVEH-UHFFFAOYSA-N;111.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119129;MM119129;CC1CC(C=O)=CN1;JWSDKTBVSWTJEQ-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119130;MM119130;CC1CC(C#N)=CN1;NMBIBUJCLZSIIJ-UHFFFAOYSA-N;108.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119131;MM119131;C=CC1=COC(C)C1;YPRDJRBOTLQQEL-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119132;MM119132;CC1CC(C=O)=CO1;PASUDPNTIZTBKF-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119133;MM119133;CC1CC(C#N)=CO1;RQZRNXXDXWPTJU-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119134;MM119134;C=CC1=NNC(C)C1;JQDMSWOIBXXOAX-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119135;MM119135;CC1(CO)C=CC(=NO)N1;BAGTWSHNBUQPKE-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119136;MM119136;CCC(=NO)NNC(C)=O;LRBPBFJOGAOAGF-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119137;MM119137;C=CC1=NOC(C)C1;MLPGTYJAMRGWNU-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119138;MM119138;CC1CC(C=O)=NO1;NBZFIQITMBYKBQ-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119139;MM119139;CC1CC(C#N)=NO1;XVNVMOIJXAIZHW-UHFFFAOYSA-N;110.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119140;MM119140;C=CC1=NCC(C)N1;FQLDWHZJBSAUDT-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119141;MM119141;CC1CN=C(C=O)N1;XRAFUMXYXUIYDD-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119142;MM119142;CC1CN=C(C#N)N1;WHMZGVNDTVIVKW-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119143;MM119143;C=CC1=CCC(C)O1;AAMZGUQVTKVGFY-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119144;MM119144;CC1CC=C(C=O)O1;LQQPSXAIFHHMFK-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119145;MM119145;CC1CC=C(C#N)O1;CEDBDUSACNJKHY-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119146;MM119146;C=CC1=COC(C)O1;TUEOJEWBRITWHT-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119147;MM119147;CC1OC=C(C=O)O1;LMBKFBKZWGHLLF-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119148;MM119148;CC1OC=C(C#N)O1;HLIXVSLBICWNHF-UHFFFAOYSA-N;111.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119149;MM119149;C=CC1=NOC(C)O1;ZLWATSKPRSKDOS-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119150;MM119150;CC1ON=C(C=O)O1;KTSKJGIDWRVWRF-UHFFFAOYSA-N;115.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119151;MM119151;CC1ON=C(C#N)O1;LOLQAJPXVIBBAH-UHFFFAOYSA-N;112.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119152;MM119152;C=CC1=CCN(C)C1;ATXCUYRKHQVSTE-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119153;MM119153;C#CC1=CCC(C)C1;WXHKHORMMDQKLT-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119154;MM119154;C#CC1=CCC(N)C1;LOVOYWQXKNXEMU-UHFFFAOYSA-N;107.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119155;MM119155;N#CC(O)(CO)CC1CN1;QDCADVVVLVGMSV-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119156;MM119156;C#CC1=CCC(F)C1;NECDSAQZRURJMM-UHFFFAOYSA-N;110.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119157;MM119157;C#CC1=COC(C)C1;PNVHFFBPAQZSSO-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119158;MM119158;C#CC1=NNC(C)C1;UCWYFIFFLYUMIK-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119159;MM119159;C#CC1=NOC(C)C1;IMHZPQVWUCUGDA-UHFFFAOYSA-N;109.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119160;MM119160;C#CC1=CCC(C)O1;YVELKZKLDZOIEW-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119161;MM119161;C#CC1=COC(C)O1;MEIIJUWTRSOJBK-UHFFFAOYSA-N;110.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119162;MM119162;C#CC1=NOC(C)O1;UIHTWXXFANNTJK-UHFFFAOYSA-N;111.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119163;MM119163;C#CC1=CCN(C)C1;DQOZDLJAGFATMB-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119164;MM119164;C=C1CC=C(CC)C1;BCCKPYIPUZOKFE-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119165;MM119165;C=C1CC=C(CN)C1;WDBDXMWSDKDPLY-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119166;MM119166;C#CC(O)(C#C)CN1CC1;JEIYBODYHXUVQB-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119167;MM119167;C=C1CC=C(CF)C1;RMVHPVKXEDZTKW-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119168;MM119168;CCC1=CCC(=O)C1;IEMKFPGZHQZABT-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119169;MM119169;O=C1CC=C(CO)C1;LUELUHSPJRFOIZ-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119170;MM119170;O=C1CC=C(CF)C1;JXDQPNUEIKPOGG-UHFFFAOYSA-N;114.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119171;MM119171;C=C1CC=C(OC)C1;XHWXKJSZJBDAAX-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119172;MM119172;COC1=CCC(=O)C1;AHBIYAITEZFSFY-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119173;MM119173;CCC1=CNC(=N)C1;KYTPGOZZCQOLTB-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119174;MM119174;N=C1CC(CN)=CN1;QERRCXHHMRNNBA-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119175;MM119175;N=C1CC(CO)=CN1;QJLFSBFGSPUDJH-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119176;MM119176;N=C1CC(CF)=CN1;NMVULPYCQHVJDA-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119177;MM119177;CCC1=CNC(=O)C1;MTPSPVUQNNSHQT-UHFFFAOYSA-N;111.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119178;MM119178;NCC1=CNC(=O)C1;JBYUYQQHBBDRRI-UHFFFAOYSA-N;112.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119179;MM119179;O=C1CC(CO)=CN1;SKRNNHANMQKEBM-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119180;MM119180;O=C1CC(CF)=CN1;VZKQNCCXAIDGMX-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119181;MM119181;COC1=CNC(=N)C1;NRZSULOLOOPESR-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119182;MM119182;COC1=CNC(=O)C1;XIDJCOCVZDQNCL-UHFFFAOYSA-N;113.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119183;MM119183;C=C1CC(CC)=CO1;CLJWDYCRRRNAEG-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119184;MM119184;C=C1CC(CN)=CO1;ABPOWADBYDIHNJ-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119185;MM119185;C=C1CC(CO)=CO1;CMNLGBNUVSALRF-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119186;MM119186;C=C1CC(CF)=CO1;PSEKIUXMJBOQBD-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119187;MM119187;CCC1=COC(=O)C1;GRJLBILAECZBDS-UHFFFAOYSA-N;112.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119188;MM119188;NCC1=COC(=O)C1;GQOAIODQNFQBST-UHFFFAOYSA-N;113.12;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119189;MM119189;O=C1CC(CO)=CO1;VHYDLHKJLMKBQU-UHFFFAOYSA-N;114.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119190;MM119190;O=C1CC(CF)=CO1;IDYIIWMNELNGAN-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119191;MM119191;C=C1CC(OC)=CO1;LMJFETMOCWGMOI-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119192;MM119192;COC1=COC(=O)C1;DTMSICKXEZYNDZ-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119193;MM119193;CN=CN=C(C)NC=NO;NYUMGWQCLRUQPD-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119194;MM119194;CC(=CC=NO)C(C)CO;HXEVDUQKUCVULG-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119195;MM119195;C=CCN=CNC(=O)NN;DHCGWMNZSUUGTM-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119196;MM119196;CCC1=NNC(=O)C1;AOZOUSZEPXLSLV-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119197;MM119197;NCC1=NNC(=O)C1;ZVSCVKIGKFEORZ-UHFFFAOYSA-N;113.12;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119198;MM119198;O=C1CC(CO)=NN1;IHEHEAWSWQGFOC-UHFFFAOYSA-N;114.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119199;MM119199;O=C1CC(CF)=NN1;KANGJLRHHZELGC-UHFFFAOYSA-N;116.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119200;MM119200;CCC(CC)CCC=NO;WXQXJUGSCDUMSZ-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119201;MM119201;COC1=NNC(=O)C1;RNVPSVUTDOBVMJ-UHFFFAOYSA-N;114.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119202;MM119202;CCC1=NOC(=O)C1;NNLZTHUEADUOTQ-UHFFFAOYSA-N;113.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119203;MM119203;NCC1=NOC(=O)C1;FTCXRNYHRLAPRF-UHFFFAOYSA-N;114.1;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119204;MM119204;O=C1CC(CO)=NO1;ORKRKHPPKHEHNJ-UHFFFAOYSA-N;115.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119205;MM119205;O=C1CC(CF)=NO1;JIGNBGUGNDMLAN-UHFFFAOYSA-N;117.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119206;MM119206;COC1=NOC(=O)C1;KVKVTSSILYSOIB-UHFFFAOYSA-N;115.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119207;MM119207;CCC1=CCC(=N)N1;PBNJJSIJXJDPJH-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119208;MM119208;N=C1CC=C(CN)N1;FGBPSSSDVBRURD-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119209;MM119209;N=C1CC=C(CO)N1;AURZLZDPCMUNBD-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119210;MM119210;N=C1CC=C(CF)N1;VXIJIDJKVSJYNA-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119211;MM119211;CCC1=CCC(=O)N1;UJIOWOAYLMWBSH-UHFFFAOYSA-N;111.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119212;MM119212;NCC1=CCC(=O)N1;BXCUHBKAEPJXIZ-UHFFFAOYSA-N;112.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119213;MM119213;O=C1CC=C(CO)N1;WZADTGJGHMIEGR-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119214;MM119214;O=C1CC=C(CF)N1;YCDCFRYXDNRKGO-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119215;MM119215;COC1=CCC(=N)N1;CTYBKIXXMSIAKR-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119216;MM119216;COC1=CCC(=O)N1;VFUDNAFCUJWEHU-UHFFFAOYSA-N;113.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119217;MM119217;CCc1c[nH]c(=N)[nH]1;RFDQETHJZZCIIU-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119218;MM119218;N=c1[nH]cc(CN)[nH]1;FERYYGXLYJRJIG-UHFFFAOYSA-N;112.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119219;MM119219;N=c1[nH]cc(CO)[nH]1;BSPMWFRGZQDRIU-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119220;MM119220;N=c1[nH]cc(CF)[nH]1;NNYAAYGRVZOZNO-UHFFFAOYSA-N;115.11;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119221;MM119221;CCc1c[nH]c(=O)[nH]1;YNKXUNTWNWDIED-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119222;MM119222;O=c1[nH]cc(CO)[nH]1;YVZAWIOJTPGCPQ-UHFFFAOYSA-N;114.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119223;MM119223;O=c1[nH]cc(CF)[nH]1;ZMXZGBOYCNVFSD-UHFFFAOYSA-N;116.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119224;MM119224;CNc1c[nH]c(=N)[nH]1;FGCXIWHPDCICEF-UHFFFAOYSA-N;112.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119225;MM119225;CNc1c[nH]c(=O)[nH]1;NIJOROOAFYLTGV-UHFFFAOYSA-N;113.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119226;MM119226;COc1c[nH]c(=N)[nH]1;CFOPIEGHFKZGMY-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119227;MM119227;COc1c[nH]c(=O)[nH]1;WXXMYOSLFPZXGC-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119228;MM119228;CCc1coc(=N)[nH]1;QUCPOTCGHLLGRZ-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119229;MM119229;CCc1coc(=O)[nH]1;PWUWOFZRQAVBGC-UHFFFAOYSA-N;113.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119230;MM119230;O=c1[nH]c(CO)co1;FGNRXYBVBJHCBS-UHFFFAOYSA-N;115.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119231;MM119231;O=c1[nH]c(CF)co1;DDWZARWEWMCYSV-UHFFFAOYSA-N;117.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119232;MM119232;CNc1coc(=N)[nH]1;IOMNUGVVGXHBBO-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119233;MM119233;CNc1coc(=O)[nH]1;VXCXPOYNLROEJI-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119234;MM119234;C=C1CNC(CC)=N1;VIOPEGOTRLLGTD-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119235;MM119235;C=C1CNC(CN)=N1;TYYQCSLDAHMIRB-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119236;MM119236;C=C1CNC(CF)=N1;KLRQYLIXRIXRMN-UHFFFAOYSA-N;114.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119237;MM119237;CCC(=NO)NNCCF;BFMHSYJBSILTHU-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119238;MM119238;O=C1CN=C(CO)N1;VOAGKDYKLOIZMW-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119239;MM119239;O=C1CN=C(CF)N1;HOJBYWQTQURKPM-UHFFFAOYSA-N;116.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119240;MM119240;C=C1CN=C(NC)N1;LMZNVFMXEJOPTH-UHFFFAOYSA-N;111.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119241;MM119241;C=C1CN=C(NN)N1;IXIKVVJNIIUYHM-UHFFFAOYSA-N;112.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119242;MM119242;C=C1CN=C(NO)N1;DEKJABWCQQSDTH-UHFFFAOYSA-N;113.12;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119243;MM119243;CNC1=NCC(=N)N1;BJRDIPKPAZEIKK-UHFFFAOYSA-N;112.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119244;MM119244;N=C1CN=C(NN)N1;PVYVKUMALDEJND-UHFFFAOYSA-N;113.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119245;MM119245;NN=C(NN)C(=O)NC=O;UFUQCTNWXAVWPV-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119246;MM119246;C#CC1(C(=O)NC=N)CN1;HZHDBJQUNUCLEL-UHFFFAOYSA-N;137.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119247;MM119247;O=C1CN=C(NO)N1;OWGXUZWUFXLJTM-UHFFFAOYSA-N;115.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119248;MM119248;NC=CC1=NNC(=NN)C1;XPOJLABIEJCIMK-UHFFFAOYSA-N;139.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119249;MM119249;COC1=NCC(=O)N1;GVBXKICVZMVYKS-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119250;MM119250;C=C(C)C(=NO)C(F)C=O;CRGXXHZSXZLEIF-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119251;MM119251;C=Cc1[nH]nc(O)c1C;SJBPQGZBOZSZMT-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119252;MM119252;NN=c1c(O)cnnn1O;NEBCBXFYQUCJOA-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119253;MM119253;C=Cn1[nH]c(=N)n(N)c1=O;UJOOOYZNWXEFHC-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119254;MM119254;Cn1[nH]c(=NN)oc1=O;RLJQAXNOYRBIQS-UHFFFAOYSA-N;130.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119255;MM119255;Nc1oc(=O)n(O)c1N;FFLQJMWYCCUIGL-UHFFFAOYSA-N;131.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119256;MM119256;C=C1OC(=C)C(C)C1=O;KFQYLAJGOBTRGV-UHFFFAOYSA-N;124.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119257;MM119257;Cc1nn(C)c(=O)nc1O;DLQJUUCTYIPNPD-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119258;MM119258;CCc1onnc(=O)c1O;SZCGZZNUBLWYKC-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119259;MM119259;C=C1CC=C(CC)O1;FDJNUZJYJNVXGQ-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119260;MM119260;C=C1CC=C(CN)O1;XFFDBPORHFTPIB-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119261;MM119261;C=C1CC=C(CO)O1;KNHAVGIYNVMJJK-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119262;MM119262;C=C1CC=C(CF)O1;GKKVOPJZOOOFHG-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119263;MM119263;CCC1=CCC(=O)O1;WWAGWEFPCZVKGN-UHFFFAOYSA-N;112.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119264;MM119264;NCC1=CCC(=O)O1;OOKBKLSGQURWEZ-UHFFFAOYSA-N;113.12;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119265;MM119265;O=C1CC=C(CO)O1;IPNRODMULRDGPT-UHFFFAOYSA-N;114.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119266;MM119266;O=C1CC=C(CF)O1;NNJFLKGTESDQKN-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119267;MM119267;CCc1c[nH]c(=N)o1;ABJMGNIYIIFOSZ-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119268;MM119268;N=c1[nH]cc(CN)o1;MSTOLMVMLRWVSR-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119269;MM119269;CCc1c[nH]c(=O)o1;WXWOAKUOJDFEPG-UHFFFAOYSA-N;113.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119270;MM119270;O=c1[nH]cc(CO)o1;IOVBELRNEDFSFA-UHFFFAOYSA-N;115.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119271;MM119271;O=c1[nH]cc(CF)o1;QICXIQMNHWYCAL-UHFFFAOYSA-N;117.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119272;MM119272;CNc1c[nH]c(=N)o1;FNFHUIJQGPXOTD-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119273;MM119273;CNc1c[nH]c(=O)o1;ZMWHKXPSQQYGDZ-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119274;MM119274;COc1c[nH]c(=O)o1;HREPRMDLKWDXIX-UHFFFAOYSA-N;115.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119275;MM119275;O=c1occ(CO)o1;IYADXFDWVMRNFK-UHFFFAOYSA-N;116.07;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119276;MM119276;O=c1occ(CF)o1;QBBPWNDLJSXLJF-UHFFFAOYSA-N;118.06;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119277;MM119277;CNc1coc(=O)o1;XWAIZQOZPWDXMB-UHFFFAOYSA-N;115.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119278;MM119278;COc1coc(=O)o1;DQXXCZVYRZRXOF-UHFFFAOYSA-N;116.07;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119279;MM119279;O=CC#CCCNC=NO;TYXDWXZTTNPUBS-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119280;MM119280;N=C1C=C(F)CN1O;IQFSKZCSVPBLNW-UHFFFAOYSA-N;116.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119281;MM119281;CN=CNC(=O)NN;JOIZAFYVMSEXEO-UHFFFAOYSA-N;116.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119282;MM119282;O=c1cc(F)n(O)n1O;IIBGEWQBJILDLY-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119283;MM119283;O=c1nc(O)n(O)[nH]1;BOXCCWIQBDUNJS-UHFFFAOYSA-N;117.06;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119284;MM119284;N#Cc1cn(O)n(O)c1=O;YUWIQBKMHIXBMS-UHFFFAOYSA-N;141.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119285;MM119285;Oc1ccc(F)o1;YIGAVTQDXORCHT-UHFFFAOYSA-N;102.06;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119286;MM119286;C=CC1=CCC(=C)C1;MMSQXHUVKZZPPS-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119287;MM119287;C=C1CC=C(C=O)C1;GSSJTTBBCASRLF-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119288;MM119288;C=C1CC=C(C#N)C1;GAWHBCAULQFATK-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119289;MM119289;C=CC1=CCC(=O)C1;SXBULIGHLKMLMH-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119290;MM119290;O=CC1=CCC(=O)C1;YOCKXPXBRQLXJT-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119291;MM119291;N#CC1=CCC(=O)C1;NPSXWUNVNRNDMT-UHFFFAOYSA-N;107.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119292;MM119292;C=CC1=CNC(=N)C1;PGJSTUTUSIFEBP-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119293;MM119293;N=C1CC(C=O)=CN1;DNDOGZUMMUQBJQ-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119294;MM119294;N#CC1=CNC(=N)C1;KDSVUVCTYSWVCX-UHFFFAOYSA-N;107.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119295;MM119295;C=CC1=CNC(=O)C1;XEBOZVXLYCSFMD-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119296;MM119296;O=CC1=CNC(=O)C1;WXQKPXRJHKFZPM-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119297;MM119297;N#CC1=CNC(=O)C1;OBZLFUBNJIOEKE-UHFFFAOYSA-N;108.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119298;MM119298;C=CC1=COC(=C)C1;KSWNVIMDXFMPRG-UHFFFAOYSA-N;108.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119299;MM119299;C=C1CC(C=O)=CO1;BCXOWXDHMYMGIN-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119300;MM119300;C=C1CC(C#N)=CO1;NUFVILDYHYNXSX-UHFFFAOYSA-N;107.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119301;MM119301;C=CC1=COC(=O)C1;KARWKEFYEVYWPN-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119302;MM119302;O=CC1=COC(=O)C1;CPGGCFYRMNQJIC-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119303;MM119303;C=CCc1cc(O)c(F)o1;BPOTXNFHVPTQNS-UHFFFAOYSA-N;142.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119304;MM119304;CC1NCC1(O)C#N;VWYPCNLNHGKCKI-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119305;MM119305;C=CC(CC(=C)C)=NO;WLOHLKBLMOUEHY-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119306;MM119306;CC=CC=C(C)C=NO;BCYZSWRLOLXWOB-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119307;MM119307;C=CC1=NNC(=O)C1;DXWRSMPSEBNZHF-UHFFFAOYSA-N;110.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119308;MM119308;O=CC1=NNC(=O)C1;WJJHUIQECMYYJH-UHFFFAOYSA-N;112.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119309;MM119309;N#CC1=NNC(=O)C1;URRPNFVFXYPXDP-UHFFFAOYSA-N;109.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119310;MM119310;C=CC1=NOC(=O)C1;ZWJXWRPDTPWAOB-UHFFFAOYSA-N;111.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119311;MM119311;C=CC1=CCC(=N)N1;WRECIFZRMYKFLO-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119312;MM119312;N=C1CC=C(C=O)N1;QOVUYNBXQQJBEC-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119313;MM119313;N#CC1=CCC(=N)N1;JKJXHKMEEDBBJL-UHFFFAOYSA-N;107.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119314;MM119314;C=CC1=CCC(=O)N1;BTFFBZHWQNRGOJ-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119315;MM119315;O=CC1=CCC(=O)N1;DPZKHRBRJXIAQM-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119316;MM119316;N#CC1=CCC(=O)N1;FWYMCKGRHXPMTN-UHFFFAOYSA-N;108.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119317;MM119317;Cc1c(C#N)oc(O)c1O;RCIUVXTWXOIFFZ-UHFFFAOYSA-N;139.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119318;MM119318;N#Cc1c[nH]c(=O)[nH]1;MVUWMWWYYQYMEQ-UHFFFAOYSA-N;109.09;-0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119319;MM119319;C=Cc1nc(O)no1;LYQXPCSNKBIAKK-UHFFFAOYSA-N;112.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119320;MM119320;N#CC(=O)C(C#N)CCO;ZCUJGZRMDNVXCI-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119321;MM119321;C=Cc1coc(=O)[nH]1;UCCWEUINYKYZSN-UHFFFAOYSA-N;111.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119322;MM119322;N#Cc1coc(=O)[nH]1;ZVLSCDXMVJDOGL-UHFFFAOYSA-N;110.07;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119323;MM119323;C=CC1=NC(=C)CN1;RSYSJDJUROOBEA-UHFFFAOYSA-N;108.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119324;MM119324;C=C1CN=C(C=O)N1;WNFXMXQGQQQBEX-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119325;MM119325;C=C1CN=C(C#N)N1;IHSQCCNBOREITA-UHFFFAOYSA-N;107.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119326;MM119326;CN=CNC(=O)N(C)N;OFXJVZIMZKNZNB-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119327;MM119327;CC(C)C(N)=CC=NO;GMDZPKRFHAQTQR-UHFFFAOYSA-N;128.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119328;MM119328;CCN=CNC(=O)NN;DHNSMURBRLBDJX-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119329;MM119329;O=CC(C#CC(F)F)=NO;CXDZNEJIKZLYJY-UHFFFAOYSA-N;147.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119330;MM119330;CONC(=O)CN(C)C=O;XKORPDNKWREEQG-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119331;MM119331;O=CC(=NO)C1CN1C=O;UPKSLAAWHNEAKZ-UHFFFAOYSA-N;142.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119332;MM119332;CC1C(C)C1C(C#N)=NO;HLIXYQQDDVEUDD-UHFFFAOYSA-N;138.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119333;MM119333;OCc1cnn(O)c1F;UAJMDBMFFALAKQ-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119334;MM119334;N=c1n(O)[nH]c(=O)n1O;OWZMLSHOZSGUCN-UHFFFAOYSA-N;132.08;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119335;MM119335;C=CC1=CCC(=C)O1;YGKVGGKHUDGDSO-UHFFFAOYSA-N;108.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119336;MM119336;C=C1CC=C(C=O)O1;VNBASLQXCRNFTJ-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119337;MM119337;C=C1CC=C(C#N)O1;XCUHXYUEPAFANP-UHFFFAOYSA-N;107.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119338;MM119338;C=CC1=CCC(=O)O1;ARCCCGWWKSMYJT-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119339;MM119339;O=CC1=CCC(=O)O1;VXRVIEDLVNOXHU-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119340;MM119340;N#CC1=CCC(=O)O1;NQARIIFDAWXIAM-UHFFFAOYSA-N;109.08;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119341;MM119341;Cn1c(=O)n(O)c(=N)n1O;WUCGRZWREKEHBV-UHFFFAOYSA-N;146.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119342;MM119342;C=Cc1c[nH]c(=O)o1;VFNKLUWEEBGVMQ-UHFFFAOYSA-N;111.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119343;MM119343;N=c1[nH]c(=O)c(N)no1;WQMFEPUNWGSKHC-UHFFFAOYSA-N;128.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119344;MM119344;N#Cc1c[nH]c(=O)o1;CHMZTTJLDCKIFU-UHFFFAOYSA-N;110.07;-0.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119345;MM119345;CC(O)(C=NO)C(F)C#N;VRHYBTKNSCGGGQ-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119346;MM119346;CC(CF)C(CF)=NO;UMVFISVZOXDFNO-UHFFFAOYSA-N;137.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119347;MM119347;O=C(NO)C(O)C=NO;XHMRCTVVICMFGW-UHFFFAOYSA-N;134.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119348;MM119348;N#Cc1n[nH]c(=O)o1;DGARVQPCFFCJQF-UHFFFAOYSA-N;111.06;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119349;MM119349;C#CC1=CCC(=C)C1;UMKPSDLWAWNXGN-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119350;MM119350;C#CC1=CCC(=O)C1;MGKQUIRGARXVSQ-UHFFFAOYSA-N;106.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119351;MM119351;C#CC1=CNC(=N)C1;CQHSZNVTGYEYPB-UHFFFAOYSA-N;106.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119352;MM119352;C#CC1=CNC(=O)C1;CMXJBSKSOHMLED-UHFFFAOYSA-N;107.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119353;MM119353;C#CC1=COC(=C)C1;ZVJRXUJDYOOIEV-UHFFFAOYSA-N;106.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119354;MM119354;C#CC1=COC(=O)C1;GXPOZKKEKGKKAD-UHFFFAOYSA-N;108.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119355;MM119355;C#CC1(N)C=NNC1=O;YOPWOYJXBAUPSY-UHFFFAOYSA-N;123.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119356;MM119356;C#CC1=NNC(=O)C1;IMQSGFHZDHTDGF-UHFFFAOYSA-N;108.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119357;MM119357;C#CC1=NOC(=O)C1;HVITYCYBXOTERO-UHFFFAOYSA-N;109.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119358;MM119358;C#CC1=CCC(=N)N1;FETZXGYQCHGHDP-UHFFFAOYSA-N;106.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119359;MM119359;C#CC1=CCC(=O)N1;ZCVYLHLDIRGRSQ-UHFFFAOYSA-N;107.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119360;MM119360;C#Cc1c[nH]c(=N)[nH]1;MXNSPBZHLQZNLN-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119361;MM119361;C#Cc1c[nH]c(=O)[nH]1;BDBFZFJDELLNQC-UHFFFAOYSA-N;108.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119362;MM119362;C#Cc1coc(=O)[nH]1;YEEVRTUZJGYENK-UHFFFAOYSA-N;109.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119363;MM119363;CN=C1NOC(=O)C1C;FBFDIWDJITWOCI-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119364;MM119364;C#CC1=NCC(=O)N1;IKRHVDDHDMTEBZ-UHFFFAOYSA-N;108.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119365;MM119365;C#CCC(O)(C#C)C=NO;FNOSTTYZLHPVQG-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119366;MM119366;C#CC1=CCC(=C)O1;MHIIDSMFRTVSMM-UHFFFAOYSA-N;106.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119367;MM119367;C#CC1=CCC(=O)O1;ZYGJMVAVALEUMR-UHFFFAOYSA-N;108.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119368;MM119368;C#Cc1c[nH]c(=O)o1;HTKIUNJSSMMFPP-UHFFFAOYSA-N;109.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119369;MM119369;CCC1=CC=C(C)C1;BGZSEAUPZCITOQ-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119370;MM119370;CC1=CC=C(CN)C1;IHAWIMFLTGQNNS-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119371;MM119371;CC1=CC=C(CO)C1;LOLVPEPGRBCAQV-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119372;MM119372;CC1=CC=C(CF)C1;YUNHEWWUADSQBR-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119373;MM119373;CCC1=CC=C(F)C1;NGCYCKHSFPDUJC-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119374;MM119374;NCC1=CC=C(F)C1;YJASGGPKILKBFN-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119375;MM119375;OCC1=CC=C(F)C1;IHKZQVJSAFWQII-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119376;MM119376;FCC1=CC=C(F)C1;AQKNBSIHHIMCRX-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119377;MM119377;COC1=CC=C(C)C1;DXXXBKWCYKBSBI-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119378;MM119378;COC1=CC=C(F)C1;UNXKHUYKLRBCSW-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119379;MM119379;CCC1=NN=C(C)C1;YODUTYPNXYJCJS-UHFFFAOYSA-N;110.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119380;MM119380;CC1=NN=C(CO)C1;RHKDDLZGRUCMKY-UHFFFAOYSA-N;112.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119381;MM119381;CC1=NN=C(CF)C1;FCYZJOICGPGLBQ-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119382;MM119382;COC1=NN=C(C)C1;XLUKMIHMOXDKJL-UHFFFAOYSA-N;112.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119383;MM119383;CCc1ccc(C)[nH]1;GXSYXPDGMUORDR-UHFFFAOYSA-N;109.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119384;MM119384;Cc1ccc(CO)[nH]1;DOJMRSTUHUURJG-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119385;MM119385;Cc1ccc(CF)[nH]1;VATRGIPODIWHNP-UHFFFAOYSA-N;113.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119386;MM119386;CNc1nnc(NC)[nH]1;YDELSCOBGPPORA-UHFFFAOYSA-N;127.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119387;MM119387;NCc1ccc(N)[nH]1;IULPXKLCKNSCDK-UHFFFAOYSA-N;111.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119388;MM119388;C=C(F)CNNC(C)=NO;CDEMWEQMPBVDLT-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119389;MM119389;CC=C(C)C=C(C)C=NO;NHZRMIBOHGMTGR-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119390;MM119390;CCc1ccc(O)[nH]1;KSKGUHPRWAQHOR-UHFFFAOYSA-N;111.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119391;MM119391;NCc1ccc(O)[nH]1;URKRTUDAIOYEBP-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119392;MM119392;OCc1ccc(O)[nH]1;LGGUQHUUFRLLIC-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119393;MM119393;Oc1ccc(CF)[nH]1;QWGCQJLKQRPZBE-UHFFFAOYSA-N;115.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119394;MM119394;CCc1ccc(F)[nH]1;BKDFELBYYFMMSI-UHFFFAOYSA-N;113.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119395;MM119395;NCc1ccc(F)[nH]1;GOGNCZJGFVZSNX-UHFFFAOYSA-N;114.12;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119396;MM119396;OCc1ccc(F)[nH]1;MUCHWPJBBSYETF-UHFFFAOYSA-N;115.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119397;MM119397;FCc1ccc(F)[nH]1;IGLMFEIVDZZKKE-UHFFFAOYSA-N;117.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119398;MM119398;CC(=O)NC(=O)C(N)CF;DBRPJYPXACZDMD-UHFFFAOYSA-N;148.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119399;MM119399;CCCC1=NN(C)C(=N)C1;VMHIIBGBYMJNQI-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119400;MM119400;N#CCC1=NC(=N)C(=N)N1;NLYATSGXQYEDJU-UHFFFAOYSA-N;135.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119401;MM119401;COc1ccc(C)[nH]1;ROFQQQQDVNEYBK-UHFFFAOYSA-N;111.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119402;MM119402;NC(=O)NNC(=NO)NO;TYWNFBJBZSNQBW-UHFFFAOYSA-N;149.11;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119403;MM119403;COc1ccc(O)[nH]1;BJFUCFGLHKGRDH-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119404;MM119404;COc1ccc(F)[nH]1;HHHDWGGTMORQHD-UHFFFAOYSA-N;115.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119405;MM119405;Cc1nc(CN)c[nH]1;CVGDNOXAJIGIFQ-UHFFFAOYSA-N;111.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119406;MM119406;CCc1cnc(N)[nH]1;RFDQETHJZZCIIU-UHFFFAOYSA-N;111.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119407;MM119407;NCc1cnc(N)[nH]1;FERYYGXLYJRJIG-UHFFFAOYSA-N;112.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119408;MM119408;Nc1ncc(CO)[nH]1;BSPMWFRGZQDRIU-UHFFFAOYSA-N;113.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119409;MM119409;Nc1ncc(CF)[nH]1;NNYAAYGRVZOZNO-UHFFFAOYSA-N;115.11;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119410;MM119410;CN=CNC(=O)N(C)C=O;LFXNCJSXYCWGKQ-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119411;MM119411;OCc1cnc(O)[nH]1;YVZAWIOJTPGCPQ-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119412;MM119412;Oc1ncc(CF)[nH]1;ZMXZGBOYCNVFSD-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119413;MM119413;CNc1cnc(N)[nH]1;FGCXIWHPDCICEF-UHFFFAOYSA-N;112.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119414;MM119414;CC1(C)C2CC(=NO)NN21;IHPFOAINGOGOIO-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119415;MM119415;CC1C(NN)=NN=C1NO;KEULVZGCFKYSAL-UHFFFAOYSA-N;143.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119416;MM119416;COc1cnc(O)[nH]1;WXXMYOSLFPZXGC-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119417;MM119417;CCC12CC1C(=NO)NN2;XEJLFZJRZBTSBQ-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119418;MM119418;CN=C1CC=NN1;QLCHUHPUKNSKRK-UHFFFAOYSA-N;97.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119419;MM119419;C=CCC(C=C)=NO;DPDPOSLJAKYTJQ-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119420;MM119420;CCc1nc(F)c[nH]1;MLWIPWAIJYYBLX-UHFFFAOYSA-N;114.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119421;MM119421;FCc1nc(F)c[nH]1;NEFTXDCCRPOBSF-UHFFFAOYSA-N;118.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119422;MM119422;CNc1ncc(C)[nH]1;DUNCFXRDLIKJFJ-UHFFFAOYSA-N;111.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119423;MM119423;CNc1ncc(N)[nH]1;RECYNMMRWQRCOT-UHFFFAOYSA-N;112.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119424;MM119424;CCC1=NNC(=N)C1;JYUWOYOOIDKUMH-UHFFFAOYSA-N;111.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119425;MM119425;O=CC=CNC=NO;CUUAURVNQXCCOQ-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119426;MM119426;CN(C)NC(=O)NC=N;ATYDRLNCVFGXFD-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119427;MM119427;N#CCc1cc(O)n[nH]1;MRMJEZJVOIWCGH-UHFFFAOYSA-N;123.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119428;MM119428;CC(=NO)N(N)CCF;QZKSEJGRMRGUFO-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119429;MM119429;Cc1nnc(CO)[nH]1;BMTFHVKZYIOHBE-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119430;MM119430;Cc1n[nH]c(CF)n1;BKDYTOMNWLLBIC-UHFFFAOYSA-N;115.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119431;MM119431;CN1OCC(C#N)C1=N;KAZDGCOZSUWXNH-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119432;MM119432;Nc1n[nH]c(CO)n1;WQWSMVWRGAFPJX-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119433;MM119433;Nc1n[nH]c(CF)n1;NKOALOOVDBPNSW-UHFFFAOYSA-N;116.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119434;MM119434;C#CCc1cc(O)n[nH]1;FSVBVUJDUFXNOM-UHFFFAOYSA-N;122.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119435;MM119435;CCc1n[nH]c(NC)n1;BMPHNPNFMOJDSW-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119436;MM119436;CC(C)(C)C(N)=CC=NO;BVMSKXCWIZLGNY-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119437;MM119437;Cn1nccc1O;CMXOTACIOGGSNH-UHFFFAOYSA-N;98.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119438;MM119438;COc1n[nH]c(C)n1;OGXVXOTXEHKRIL-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119439;MM119439;COc1nnc(N)[nH]1;JUHWLXRDVSBGOO-UHFFFAOYSA-N;114.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119440;MM119440;Cn1c(O)c(F)oc1=NN;KSSBJMLBWCAIHT-UHFFFAOYSA-N;147.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119441;MM119441;CCc1ccc(C)o1;NBXLPPVOZWYADY-UHFFFAOYSA-N;110.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119442;MM119442;Cc1ccc(CO)o1;VOZFDEJGHQWZHU-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119443;MM119443;Cc1ccc(CF)o1;QQEYSGTXCRFPDE-UHFFFAOYSA-N;114.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119444;MM119444;CCc1ccc(N)o1;NKUQBYLUUYPGCE-UHFFFAOYSA-N;111.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119445;MM119445;Nc1ccc(CO)o1;JNUMBGIUSIWZQB-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119446;MM119446;Nc1ccc(CF)o1;RQDJFOVHDAYTND-UHFFFAOYSA-N;115.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119447;MM119447;CCc1ccc(F)o1;OQOPEQWKWNAZCJ-UHFFFAOYSA-N;114.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119448;MM119448;OCc1ccc(F)o1;ZCGCGFRKOWIYCF-UHFFFAOYSA-N;116.09;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119449;MM119449;FCc1ccc(F)o1;YKIVMKRNAQOCRM-UHFFFAOYSA-N;118.08;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119450;MM119450;CNc1ccc(C)o1;KLZFHHGEBNNIQO-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119451;MM119451;CNc1ccc(N)o1;CQWUFEXBDSNLMU-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119452;MM119452;CNc1ccc(F)o1;IYYXQUJTDCWBAM-UHFFFAOYSA-N;115.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119453;MM119453;COc1ccc(C)o1;MJOXANKLZXQJJH-UHFFFAOYSA-N;112.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119454;MM119454;COc1ccc(N)o1;HSVXHVFDHSJULY-UHFFFAOYSA-N;113.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119455;MM119455;COc1ccc(F)o1;JGNWJLXCPBDCEE-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119456;MM119456;CCc1cnc(C)o1;KVHQALCDTOJIBP-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119457;MM119457;Cc1ncc(CO)o1;RLZPINFKUMSNAK-UHFFFAOYSA-N;113.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119458;MM119458;Cc1ncc(CF)o1;BYJDPNDPTJXSMA-UHFFFAOYSA-N;115.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119459;MM119459;N=C(C=CNO)NC(N)=O;LABBQWTUOJAJEK-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119460;MM119460;CCC(=O)NC(C)=NC=N;WXHLPBPMCJCZFH-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119461;MM119461;C#CC(C)C(=N)NC(N)=O;PZEJXGKBHQMURQ-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119462;MM119462;CCc1cnc(F)o1;PITBYRODZGUZNW-UHFFFAOYSA-N;115.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119463;MM119463;OCc1cnc(F)o1;QQRWWUAPHIBHKA-UHFFFAOYSA-N;117.08;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119464;MM119464;FCc1cnc(F)o1;UUJMPZWTOUKFEW-UHFFFAOYSA-N;119.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119465;MM119465;CCC(=NC=N)NC(C)=O;LHAPWKIWMOBMOD-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119466;MM119466;C=C(C=CC)C(=C)C=NO;HEOHDJAUEDGSTM-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119467;MM119467;CNc1cnc(O)o1;ZMWHKXPSQQYGDZ-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119468;MM119468;CNc1cnc(F)o1;GSPFTOZZFXRQDC-UHFFFAOYSA-N;116.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119469;MM119469;COc1cnc(C)o1;RNQHZLJNVUGTIL-UHFFFAOYSA-N;113.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119470;MM119470;CN(O)C=NC(C#N)CO;UIIWQHWPCRLZCG-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119471;MM119471;COc1cnc(F)o1;HMTHTYAPCGTZLK-UHFFFAOYSA-N;117.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119472;MM119472;CCc1ncc(C)o1;ADIDFXCLFPHHLE-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119473;MM119473;Cc1cnc(CO)o1;JDRBDIIAXYFTIK-UHFFFAOYSA-N;113.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119474;MM119474;Cc1cnc(CF)o1;FZDQCDXFNYWSNX-UHFFFAOYSA-N;115.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119475;MM119475;NN=CC=NNC(=O)NN;OOLMFUZPLJEFOV-UHFFFAOYSA-N;144.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119476;MM119476;Nc1cnc(CO)o1;IUOXGDGMAPHHER-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119477;MM119477;C=CCC(C=C)=CC=NO;VOURHAVADIADLR-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119478;MM119478;Cc1cc(O)n(N)n1;PFYYCTCMHLMMOX-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119479;MM119479;CNc1[nH]nc(N)c1O;SLBPAVXHBLKTNR-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119480;MM119480;Cc1cn(N)c(O)nc1=O;VNAUBPZNKAWGIU-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119481;MM119481;CCc1ncc(F)o1;LKWMSNPKRSYMOF-UHFFFAOYSA-N;115.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119482;MM119482;OCc1ncc(F)o1;JFRLXIMDBOPZRQ-UHFFFAOYSA-N;117.08;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119483;MM119483;FCc1ncc(F)o1;PXKJCPASARQKMY-UHFFFAOYSA-N;119.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119484;MM119484;CCNC=CC(=NO)NO;KWQJDSQBYSQFIB-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119485;MM119485;CNNC(=O)C(C=O)OC;YLLURGZPVWSSGU-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119486;MM119486;Cn1[nH]n(N)c(=N)c1=O;VAJSAGKJTLXUJD-UHFFFAOYSA-N;129.12;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119487;MM119487;CNc1ncc(F)o1;JYVVEYPQIUDRSH-UHFFFAOYSA-N;116.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119488;MM119488;COc1ncc(C)o1;DYMSEAXDFGBDRP-UHFFFAOYSA-N;113.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119489;MM119489;CN=C1CCN(C)C(=O)N1;NVSPTKISKRSOTL-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119490;MM119490;C=Nn1cc(C)c(O)n1;QAJFFWSNOMWNAA-UHFFFAOYSA-N;125.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119491;MM119491;COc1ncc(F)o1;OELDUSLERZDXGG-UHFFFAOYSA-N;117.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119492;MM119492;CCc1nnc(C)o1;HKGFHAZYWIMNAM-UHFFFAOYSA-N;112.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119493;MM119493;Cc1nnc(CO)o1;LCLOUZXOEJVYFP-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119494;MM119494;Cc1nnc(CF)o1;OEYDESMWIVZLBT-UHFFFAOYSA-N;116.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119495;MM119495;CCc1nnc(N)o1;XHSTYRIUVMKGDX-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119496;MM119496;Nc1nnc(CO)o1;BGVUCXJFOFYACV-UHFFFAOYSA-N;115.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119497;MM119497;Nc1nnc(CF)o1;VIHZYZXGYWSUPD-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119498;MM119498;C=c1c(=C)n(O)c(=O)n1O;MLTUUKMBKBHQBE-UHFFFAOYSA-N;142.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119499;MM119499;N#Cc1oc(=NO)oc1F;VXTPZMRATJCRDD-UHFFFAOYSA-N;144.06;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119500;MM119500;Cn1cnc(=O)n1O;QYPDENRDQJCHFR-UHFFFAOYSA-N;115.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119501;MM119501;CCc1nnc(F)o1;BBOMLNWCWGMLNM-UHFFFAOYSA-N;116.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119502;MM119502;OCc1nnc(F)o1;YBRKLILNWIFEOT-UHFFFAOYSA-N;118.07;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119503;MM119503;FCc1nnc(F)o1;NPOLOGLAQKEZLN-UHFFFAOYSA-N;120.06;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119504;MM119504;CNc1nnc(C)o1;WOBVOJBOMVRBRU-UHFFFAOYSA-N;113.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119505;MM119505;CNc1nnc(N)o1;ICGOOIRCUNPQNC-UHFFFAOYSA-N;114.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119506;MM119506;N=c1cc(F)[nH]c(=O)n1O;ILBJCCIXZIUGGZ-UHFFFAOYSA-N;145.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119507;MM119507;CNc1nnc(F)o1;XXEGKLTZVWBZRF-UHFFFAOYSA-N;117.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119508;MM119508;COc1nnc(C)o1;GKYIPPQQZAHLNP-UHFFFAOYSA-N;114.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119509;MM119509;COc1nnc(N)o1;QXTQPUQQUAZSMW-UHFFFAOYSA-N;115.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119510;MM119510;Cc1c(C#N)[nH]oc1=NO;KZRIXNBSSQUDCC-UHFFFAOYSA-N;139.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119511;MM119511;COc1nnc(F)o1;ZBGYEVGKNOUXQD-UHFFFAOYSA-N;118.07;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119512;MM119512;C=CC1=CC=C(C)C1;PMBDZXSYHVPGEO-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119513;MM119513;CC1=CC=C(C=O)C1;TWGMLTQURPPYDK-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119514;MM119514;CC1=CC=C(C#N)C1;IFLXIJWHFTZKSA-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119515;MM119515;C=CC1=CC=C(F)C1;BPVWUJFGCSAYAR-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119516;MM119516;O=CC1=CC=C(F)C1;ZWALVFFXGGLNGK-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119517;MM119517;N#CC1=CC=C(F)C1;AROAXLJZYBOFBD-UHFFFAOYSA-N;109.1;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119518;MM119518;C=CC1=NN=C(C)C1;MRUVCUUSXLOAES-UHFFFAOYSA-N;108.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119519;MM119519;CC1=NN=C(C=O)C1;CRCAHBOYRQTQTN-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119520;MM119520;CC1=NN=C(C#N)C1;WNVSRJSEVTWWLG-UHFFFAOYSA-N;107.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119521;MM119521;C=Cc1ccc(C)[nH]1;ULQLVELTQDGZEP-UHFFFAOYSA-N;107.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119522;MM119522;Cc1ccc(C#N)[nH]1;LHTWORABVYVKEC-UHFFFAOYSA-N;106.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119523;MM119523;CCN=CN=CNC=NO;PPSVINYVXKKZJZ-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119524;MM119524;ON=C1CCC(CF)=CN1;XMHRYODPJIYRPB-UHFFFAOYSA-N;144.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119525;MM119525;CNNC(=O)NC=N;DQNJJNSEPVSWCP-UHFFFAOYSA-N;116.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119526;MM119526;C=Cc1ccc(O)[nH]1;OCNDLRGAQDMMGK-UHFFFAOYSA-N;109.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119527;MM119527;COc1cn(O)n(O)c1=O;UOPMKHUKCCMZAK-UHFFFAOYSA-N;146.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119528;MM119528;C=Cc1ccc(F)[nH]1;XNRQDKDQCFICPQ-UHFFFAOYSA-N;111.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119529;MM119529;N#Cc1coc(O)c1O;HSODLPBGXBGMCQ-UHFFFAOYSA-N;125.08;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119530;MM119530;N#Cc1ccc(F)[nH]1;MIRWOQXWOXFNST-UHFFFAOYSA-N;110.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119531;MM119531;Cc1nc(O)c(O)o1;UINAGYUZTOQULO-UHFFFAOYSA-N;115.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119532;MM119532;Cc1nc(C#N)c[nH]1;GSBGWLFUGNVIFB-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119533;MM119533;C=Cc1cnc(N)[nH]1;QRVPWWHJIUNSOT-UHFFFAOYSA-N;109.13;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119534;MM119534;C=Cc1cnc(O)[nH]1;LADNVFNFDHUFLU-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119535;MM119535;O=Cc1cnc(O)[nH]1;XYBQLONABMMZQU-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119536;MM119536;CCN=C1CC=NN1;DSXGPDGNQPHHMN-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119537;MM119537;Cc1c[nH]c(C#N)n1;SMSBRGXJBHXFMW-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119538;MM119538;ON=C1CC2CC2N1;ZWAOXHFGZYBNAE-UHFFFAOYSA-N;112.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119539;MM119539;N#Cc1nc(N)c[nH]1;BMLLUVJSJPOTSD-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119540;MM119540;CCc1nc(C)c(O)o1;SLTZTRQNBVYTDV-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119541;MM119541;CCCC(O)C(CO)=NO;WWCUYQPSUBCPIW-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119542;MM119542;C=Cc1nc(F)c[nH]1;PHOKVMKASXEPGH-UHFFFAOYSA-N;112.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119543;MM119543;C=Cc1nc(C)n[nH]1;POQFUIULJASTHU-UHFFFAOYSA-N;109.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119544;MM119544;Cc1cnn(O)c1O;BZJUNPLGAWDRDP-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119545;MM119545;Cc1nc(C#N)n[nH]1;YFAKXMYTMQGLEK-UHFFFAOYSA-N;108.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119546;MM119546;C=C(C)CC(=NO)NN;VLMPDODOKHVXJX-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119547;MM119547;Nc1n[nH]c(C=O)n1;DMNLQSWHWCKOGP-UHFFFAOYSA-N;112.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119548;MM119548;N#Cc1nc(N)n[nH]1;ABNCJPUPSBOIDL-UHFFFAOYSA-N;109.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119549;MM119549;C#CCc1nc(F)c(O)[nH]1;GEXCTWUIPXBNFK-UHFFFAOYSA-N;140.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119550;MM119550;C=Cc1ccc(C)o1;LTQOQNQWJBSGPF-UHFFFAOYSA-N;108.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119551;MM119551;Cc1ccc(C=O)o1;OUDFNZMQXZILJD-UHFFFAOYSA-N;110.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119552;MM119552;Cc1ccc(C#N)o1;XGCRBVWSFYTMEC-UHFFFAOYSA-N;107.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119553;MM119553;C=Cc1ccc(N)o1;CXDAZQPAVSHYBU-UHFFFAOYSA-N;109.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119554;MM119554;N#Cc1ccc(N)o1;BLFZGWCFINXIGG-UHFFFAOYSA-N;108.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119555;MM119555;Cc1nnc(O)n1O;DUOBGXMWYVWTGD-UHFFFAOYSA-N;115.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119556;MM119556;O=c1[nH][nH]c(=NO)[nH]1;LNRBCFWCHRGVAA-UHFFFAOYSA-N;116.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-9.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119557;MM119557;C=Cc1ccc(F)o1;UOOIPQCLXMMLPK-UHFFFAOYSA-N;112.1;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119558;MM119558;O=Cc1ccc(F)o1;SCXCSWZFCMZKJS-UHFFFAOYSA-N;114.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119559;MM119559;N#Cc1ccc(F)o1;XAPQRXGCQPTTRC-UHFFFAOYSA-N;111.08;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119560;MM119560;C=Cc1cnc(C)o1;RVJABHSPJQAKRD-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119561;MM119561;Cc1ncc(C#N)o1;BZAXQZSUBXXBPH-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119562;MM119562;CCCC(N)=CC=NO;XMOFMOQCGROULD-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119563;MM119563;CC(=NN)C(=O)NC=N;USPSGCOSNNNQSV-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119564;MM119564;N#Cc1cnc(N)o1;UZXADFZKJKYCGF-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119565;MM119565;C=Cc1cnc(F)o1;BZHQICFDBZFGHJ-UHFFFAOYSA-N;113.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119566;MM119566;O=Cc1cnc(F)o1;DAYAMUUKUYIHRI-UHFFFAOYSA-N;115.06;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119567;MM119567;N#Cc1cnc(F)o1;PEBKDBUWFNBQPQ-UHFFFAOYSA-N;112.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119568;MM119568;C=Cc1ncc(C)o1;DXQAVMLWHWMHTR-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119569;MM119569;Cc1cnc(C=O)o1;CLRKQIWCZIKAAO-UHFFFAOYSA-N;111.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119570;MM119570;Cc1cnc(C#N)o1;OFYFJUOJQJZEFF-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119571;MM119571;CCN=C(C=NO)NN;QVAWFIRMPKPRSR-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119572;MM119572;C=CN=C1CCC(=O)N1;XABLEWPLYSWUND-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119573;MM119573;N#Cc1ncc(N)o1;KISFPIGZECJABX-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119574;MM119574;Nn1cc(O)c(O)c1F;AGOAFHRRDHMEBK-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119575;MM119575;NN1C(=O)NC(=O)C1=O;LTXSDFWWLIBLJQ-UHFFFAOYSA-N;129.08;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119576;MM119576;C=NN1CC1C(CO)=NO;PIGJNDSXGMULHO-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119577;MM119577;C=Cc1ncc(F)o1;UGNCRMWBRCJPBO-UHFFFAOYSA-N;113.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119578;MM119578;O=Cc1ncc(F)o1;STRIKTUWUUGVPD-UHFFFAOYSA-N;115.06;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119579;MM119579;N#Cc1ncc(F)o1;AHWWHILSNZKKBC-UHFFFAOYSA-N;112.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119580;MM119580;C=Cc1nnc(C)o1;JALKUVAGAIBLPZ-UHFFFAOYSA-N;110.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119581;MM119581;Cc1nnc(C=O)o1;YRJNUIQFTSGXGK-UHFFFAOYSA-N;112.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119582;MM119582;Cc1nnc(C#N)o1;BSVYZBXIQAHHLN-UHFFFAOYSA-N;109.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119583;MM119583;C=Cc1nnc(N)o1;RCZUHAOXUSUTEK-UHFFFAOYSA-N;111.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119584;MM119584;Nc1nnc(C=O)o1;YLYFWWPTCOEXQD-UHFFFAOYSA-N;113.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119585;MM119585;N#Cc1nnc(N)o1;LFUREFHSSJAYRO-UHFFFAOYSA-N;110.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119586;MM119586;CN=c1o[nH]c(C#N)c1N;FQLMDXWVJAZPFN-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119587;MM119587;CC1C(C#N)C(=O)C1C=O;SYISBAVTUUIWSB-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119588;MM119588;Cc1c(F)[nH]c(=O)n1O;NIGQAUMSYOTTEX-UHFFFAOYSA-N;132.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119589;MM119589;C=Cc1nnc(F)o1;SNRAPMZRUGEXIO-UHFFFAOYSA-N;114.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119590;MM119590;O=Cc1nnc(F)o1;DZLRZZAMPBFFMU-UHFFFAOYSA-N;116.05;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119591;MM119591;N#Cc1nnc(F)o1;ONQSIQBQBUQNLV-UHFFFAOYSA-N;113.05;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119592;MM119592;C#CC1=CC=C(C)C1;MQZNVUIOHXEJHG-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119593;MM119593;C#CC1=CC=C(F)C1;TYJNMUWXJQCVLH-UHFFFAOYSA-N;108.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119594;MM119594;C#CC1=NN=C(C)C1;ARUUIUZTNPDWNM-UHFFFAOYSA-N;106.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119595;MM119595;C#Cc1ccc(C)[nH]1;JSUFJJUVCOHDEZ-UHFFFAOYSA-N;105.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119596;MM119596;O=CNC=CNC=NO;JXSMKNWHKPSSPI-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119597;MM119597;C#Cc1ccc(O)[nH]1;YUIXSPLPFANHQI-UHFFFAOYSA-N;107.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119598;MM119598;C#Cc1ccc(F)[nH]1;GLYZEAIYEWXJAC-UHFFFAOYSA-N;109.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119599;MM119599;N=C(C=CNN)NC(N)=O;CDZKPDUCWHBODM-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119600;MM119600;C#Cc1cnc(N)[nH]1;MXNSPBZHLQZNLN-UHFFFAOYSA-N;107.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119601;MM119601;C#Cc1cnc(O)[nH]1;BDBFZFJDELLNQC-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119602;MM119602;CC(=O)NC=NN(C)C=N;WMVXYYXZCZUCLV-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119603;MM119603;COC(=N)N=CNC(N)=O;LFFOWAJRFVUWOI-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119604;MM119604;C#Cc1nc(F)c[nH]1;KJZZHYOGUSLFAM-UHFFFAOYSA-N;110.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119605;MM119605;C#Cc1nc(C)n[nH]1;BQEYKMPFZVKIRR-UHFFFAOYSA-N;107.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119606;MM119606;C#Cc1nc(N)n[nH]1;UKTHZHBZSKQHQD-UHFFFAOYSA-N;108.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119607;MM119607;C#Cc1ccc(C)o1;XLRATKAEINFNOO-UHFFFAOYSA-N;106.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119608;MM119608;C#Cc1ccc(N)o1;BEVSKLRRNXFIAB-UHFFFAOYSA-N;107.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119609;MM119609;C#Cc1ccc(F)o1;FZNVQQVLTVQVOW-UHFFFAOYSA-N;110.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119610;MM119610;C#Cc1cnc(C)o1;ONLOXRRPHKYLAA-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119611;MM119611;C#Cc1cnc(F)o1;YHMKIRDGVFFMKF-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119612;MM119612;C#Cc1ncc(C)o1;DDPQDTNLAIDCBW-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119613;MM119613;C=C(CC)C(=N)NC(N)=O;LCKYRCOOUQNUJP-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119614;MM119614;Nc1cc(O)n(O)c(=O)c1;ZKVVNWIZIVYYFY-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119615;MM119615;C#Cc1ncc(F)o1;YUKBKLIUMXZOFM-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119616;MM119616;C#Cc1nnc(C)o1;JDQBOMNDQAGMHA-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119617;MM119617;C#Cc1nnc(N)o1;QCIVQHWJBSCYNH-UHFFFAOYSA-N;109.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119618;MM119618;Nc1c(O)c(O)n(O)c1F;PNBBKTXJSKXFGT-UHFFFAOYSA-N;148.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119619;MM119619;C#Cc1nnc(F)o1;HWTLHNZBPMKQQI-UHFFFAOYSA-N;112.06;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119620;MM119620;CCC1C=C(C)CC1;LPYWGARYLNDICS-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119621;MM119621;CC1=CC(CN)CC1;NBHALPPTZZJDNO-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119622;MM119622;CC=CC(=NC)NC(N)=O;BSCSSETZHHUWAH-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119623;MM119623;CC1=CC(CF)CC1;GNQFYKGPGQBEQT-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119624;MM119624;CCC1C=C(F)CC1;OPHHJQJIWBTRPS-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119625;MM119625;NCC1C=C(F)CC1;CCIWIGRNDABGQK-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119626;MM119626;OCC1C=C(F)CC1;UDMQFQXGUNQNPZ-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119627;MM119627;FCC1C=C(F)CC1;HQHIOOPMEBPUGE-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119628;MM119628;CNC1C=C(C)CC1;HJCTWAPUMJQHIO-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119629;MM119629;CNC1C=C(F)CC1;GJEXMJYBOVIAOZ-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119630;MM119630;COC1C=C(C)CC1;HDVHWYGZRLENAM-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119631;MM119631;COC1C=C(F)CC1;RADACDRABSPNCG-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119632;MM119632;CCC1C=C(C)OC1;CGKCBVOCRFWKNB-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119633;MM119633;CC1=CC(CN)CO1;DSUAWWLJOGEBKM-UHFFFAOYSA-N;113.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119634;MM119634;CC1=CC(CO)CO1;ULHBKCKMOXPFTF-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119635;MM119635;CC1=CC(CF)CO1;IEKWXYHEHKSOCK-UHFFFAOYSA-N;116.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119636;MM119636;CNC1C=C(C)OC1;COJMQBRGHGGFFE-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119637;MM119637;COC1C=C(C)OC1;NBKNYTUEUHZBFZ-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119638;MM119638;CCC1C=C(C)CN1;OCORKVIUQAIWBC-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119639;MM119639;CC1=CC(CN)NC1;PQNOQJSMPMVLKM-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119640;MM119640;CC1=CC(CO)NC1;VNUFDUIZZPAFOH-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119641;MM119641;CC1=CC(CF)NC1;JXKPMENEYHGRNG-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119642;MM119642;CCC1C=C(F)CN1;BEPLWZGAJDOPOZ-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119643;MM119643;NCC1C=C(F)CN1;CQKZMSIBKJEKDN-UHFFFAOYSA-N;116.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119644;MM119644;CCC1C=C(C)CO1;MSHWASZWOFGTLY-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119645;MM119645;CC1=CC(CN)OC1;JZGKIBLWLYNHIW-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119646;MM119646;CC1=CC(CO)OC1;MQWKILQTAOEWEO-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119647;MM119647;CC1=CC(CF)OC1;VSURJJBRDIYMNE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119648;MM119648;CCC1C=C(F)CO1;UTOHXKZQURMGED-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119649;MM119649;NCC1C=C(F)CO1;RZFAPGXVASMYJU-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119650;MM119650;OCC1C=C(F)CO1;YQEGLNKYSBOVLM-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119651;MM119651;FCC1C=C(F)CO1;XSTZJXFUQXGCLI-UHFFFAOYSA-N;120.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119652;MM119652;COC1C=C(C)CO1;DGDKNJCVAXUSRU-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119653;MM119653;COC1C=C(F)CO1;DXUZRNBWVFKDPJ-UHFFFAOYSA-N;118.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119654;MM119654;CC1=NC(CO)CN1;NSFOLYIRSSPIQK-UHFFFAOYSA-N;114.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119655;MM119655;CCN1CCC(C)=N1;PJPIMDGCIKHTNS-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119656;MM119656;C=CC1C=C(C)CC1;COYSITZYVCIFAG-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119657;MM119657;CC1=CC(C=O)CC1;ZFUZUDJRVZNEOF-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119658;MM119658;CC1=CC(C#N)CC1;GYVLIIDURNZCRH-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119659;MM119659;C=CC1C=C(F)CC1;IOFQTQCVYGVTSB-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119660;MM119660;O=CC1C=C(F)CC1;RXGKPLSZABROSD-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119661;MM119661;N#CC1C=C(F)CC1;JPRIOWVAUIXAGG-UHFFFAOYSA-N;111.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119662;MM119662;C=CC1C=C(C)OC1;BMINPZNDNAGVNU-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119663;MM119663;CC1=CC(C=O)CO1;KWBUXNBHHKCUGH-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119664;MM119664;CC1=CC(C#N)CO1;USXQAZWHMBBDNI-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119665;MM119665;C=CC1C=C(C)CN1;JGIZJBAOSUYRKT-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119666;MM119666;CC1=CC(C=O)NC1;RWVOEHKTIWWUJD-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119667;MM119667;CC1=CC(C#N)NC1;AZTNYDJMFROENT-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119668;MM119668;N#CC1C=C(F)CN1;GQHVNBKMFFWODG-UHFFFAOYSA-N;112.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119669;MM119669;C=CC1C=C(C)CO1;DOBJMPLQJDOFIR-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119670;MM119670;CC1=CC(C=O)OC1;MVQCLEPUEDOBIX-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119671;MM119671;CC1=CC(C#N)OC1;RHFLQCYYJQVRJL-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119672;MM119672;C=CC1C=C(F)CO1;DZEFGCLKXCGIBM-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119673;MM119673;O=CC1C=C(F)CO1;HNBZFAVNVYWJQC-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119674;MM119674;N#CC1C=C(F)CO1;WSMNUFXIWQYYQD-UHFFFAOYSA-N;113.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119675;MM119675;CC1=CN(C=N)CC1;HKFKLGLXJOBCMG-UHFFFAOYSA-N;110.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119676;MM119676;CC1=CN(C=O)CC1;ZPRXCLZECTWAAB-UHFFFAOYSA-N;111.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119677;MM119677;N=CN1C=C(F)CC1;TWMXFDYFZAQRNE-UHFFFAOYSA-N;114.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119678;MM119678;O=CN1C=C(F)CC1;XQUXATKVXGRCEC-UHFFFAOYSA-N;115.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119679;MM119679;CC1=CN(C=N)NC1;SYOXNSDMEMSMLE-UHFFFAOYSA-N;111.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119680;MM119680;CC1=CN(C=O)NC1;NWBPGAGJEYEVMY-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119681;MM119681;O=CN1C=C(F)CN1;CYLUPWWWUYTXSL-UHFFFAOYSA-N;116.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119682;MM119682;CC1=CN(C=O)OC1;AMCFAWYFHSNFFF-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119683;MM119683;O=CN1C=C(F)CO1;IHAWCSNJMCMBFR-UHFFFAOYSA-N;117.08;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119684;MM119684;CC1=NN(C=N)CC1;IALGIEZPUQCQNK-UHFFFAOYSA-N;111.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119685;MM119685;CC1=NN(C=O)CC1;BPOZZLQDVWYXNK-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119686;MM119686;C#CC1C=C(C)CC1;MWVLBOUZHRDXBH-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119687;MM119687;C#CC1C=C(F)CC1;PRWNJFFFQKADRT-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119688;MM119688;C#CC1C=C(C)OC1;VSBXFQVNWZAIAC-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119689;MM119689;C#CC1C=C(C)CN1;OIGGOIGQTRBYNE-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119690;MM119690;C#CC1C=C(C)CO1;NCWRVGLVUYTKPN-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119691;MM119691;C#CC1C=C(F)CO1;AFJONPXXBAEDFZ-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119692;MM119692;CC=C1C=C(C)CC1;KNMRUIAIEAZNRY-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119693;MM119693;CC1=CC(=CF)CC1;RVSBSWCEDDLNDL-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119694;MM119694;CC=C1C=C(F)CC1;VQEHUBRPMIULDC-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119695;MM119695;FC=C1C=C(F)CC1;PWGNBGLGTSTQLF-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119696;MM119696;N=CNC(=O)NNC=NN;FTOMODZSTYNZJC-UHFFFAOYSA-N;144.14;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119697;MM119697;CNNC(=O)NN=CCO;RAKUYCCUWFNSMR-UHFFFAOYSA-N;146.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119698;MM119698;CNNC(=O)C#CCCO;SMUCJKBFVAEUJT-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119699;MM119699;C#CCC(O)C(=O)NC=N;KMPNOXWRZWFPCA-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119700;MM119700;ON=C1C=C(F)CC1;BKVILGKXDHJPCU-UHFFFAOYSA-N;115.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119701;MM119701;C#CCN(N)C(=O)NC=N;GVRYSIGQYXISIE-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119702;MM119702;N=C1C=C(NN)CN1;LIXONYUYMUSCFI-UHFFFAOYSA-N;112.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119703;MM119703;N=C1C=C(NO)CN1;YUEGNDRKDNXTCQ-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119704;MM119704;CC=C1C=C(C)OC1;DLJWXNHCPUBSSI-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119705;MM119705;CC1=CC(=CF)CO1;WOLFXEOFLNGKOV-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119706;MM119706;C=C(NC=O)C(=N)NC=O;GEACDWZMZQUWJP-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119707;MM119707;CC1=CC(=NO)CO1;LVFVFKNQSDXHMO-UHFFFAOYSA-N;113.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119708;MM119708;CNN=C(C)C(=O)NC=N;KJGYGEFINIINCI-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119709;MM119709;N=C(N)C(=O)NOC=NN;OAZKMRRVBXMARX-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119710;MM119710;CN=C1C=C(C)CN1;KDEJOQJEVQLNNN-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119711;MM119711;CC1=CC(=NN)NC1;OVZZLJQAWZWDCZ-UHFFFAOYSA-N;111.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119712;MM119712;N=C(N)C(=O)NN=CCF;HEQJXFQBCIXGAK-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119713;MM119713;CN=C1C=C(N)CN1;UMNSANHMBLNJJO-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119714;MM119714;CC#Cc1cn(O)c(C)n1;OAFKXKWDCMFFAW-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119715;MM119715;C=CC(CC(=C)CC)=NO;YPBNCDGJQHYLTC-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119716;MM119716;ON=C1C=C(F)CN1;RZYXMGCUOWWFAM-UHFFFAOYSA-N;116.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119717;MM119717;C=CC(CC(C)=CC)=NO;DMVJGCGWZMPXFR-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119718;MM119718;C=C(OCC=O)C(N)=NO;VIDFKMIQZFNSTO-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119719;MM119719;CC=NNC(=O)C(=N)NO;AYHDXWPJZNKWMD-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119720;MM119720;CNC(=O)NOCC=NN;XOBXUZPNVKZNSJ-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119721;MM119721;C#CC#CCNC(C)=NO;VSGJHYPLMSSXKR-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119722;MM119722;CC(CC=CC=NO)=NN;STYOHULZPNLOEF-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119723;MM119723;Cn1ncc(O)nc1=O;UFBYAWNYMSDOMX-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119724;MM119724;C=Cn1ncc(=O)n1O;LGUCLLDQQKKCAU-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119725;MM119725;Nc1c(F)n(O)n(O)c1=O;CSLVERXEMKLREF-UHFFFAOYSA-N;149.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119726;MM119726;NC=CC(=NO)NC=CF;YTTUBFBEGISZNM-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119727;MM119727;CN(N)C(=NO)N(O)C=N;YYSLHHLMJRTMRF-UHFFFAOYSA-N;147.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119728;MM119728;ONc1cc(F)[nH]n1;DZOLGUDFLSVFMQ-UHFFFAOYSA-N;117.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119729;MM119729;CN(O)C(=NO)NC=CF;SJPDLRSDCAJXFX-UHFFFAOYSA-N;149.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119730;MM119730;NN(C=NO)C(CO)CO;ZONVJFHQJQYDIH-UHFFFAOYSA-N;149.15;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119731;MM119731;Cc1cc(NO)no1;UADNBPACIOMTDO-UHFFFAOYSA-N;114.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119732;MM119732;CCC(=NN)C(=O)NC=N;YYKUSIUKFDYICE-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119733;MM119733;CN(C=CF)C(=NO)NO;FIDUGAGKEOYJOX-UHFFFAOYSA-N;149.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119734;MM119734;C=CC=C(C)C(CC)=NO;CSXHRZSVJNORIR-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119735;MM119735;CC(=O)C(=O)CC(=O)CO;DFWHGSVPVJPYJZ-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119736;MM119736;Nc1c(CO)oc(=O)n1O;LINLNAWTIDNNHF-UHFFFAOYSA-N;146.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119737;MM119737;COc1cc(O)c(F)o1;QZZXAEAPIOLIFN-UHFFFAOYSA-N;132.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119738;MM119738;C#CCc1c[nH]c(C#C)n1;GZBQEWQZOIWYMI-UHFFFAOYSA-N;130.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119739;MM119739;CCCc1ccc(N=O)[nH]1;PGTLOLIAQPXNIC-UHFFFAOYSA-N;138.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119740;MM119740;ONc1cc(F)on1;XERUYJXBIJTEPV-UHFFFAOYSA-N;118.07;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119741;MM119741;CC=C1C=C(C)CO1;DNTAVGODGPHLTO-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119742;MM119742;CC1=CC(=CF)OC1;DBYILDCMHAVZGK-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119743;MM119743;CC=C1C=C(F)CO1;XZBPCGLREQTHHD-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119744;MM119744;FC=C1C=C(F)CO1;XBOHXSYEUCEAEV-UHFFFAOYSA-N;118.08;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119745;MM119745;C#CC(=NO)NNC1CC1;HBFKWUVHTAOVET-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119746;MM119746;CC1=CC(=NO)OC1;NDMSEILVIUIDGD-UHFFFAOYSA-N;113.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119747;MM119747;C=CC(=N)NC(=O)NC;UNBQQLCXCZILGF-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119748;MM119748;C=CC(=NC)NC(N)=O;YQSGEFVEZNBDAX-UHFFFAOYSA-N;127.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119749;MM119749;NN=C1C=C(F)CO1;YJBXFUQQLMNYSZ-UHFFFAOYSA-N;116.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119750;MM119750;ON=C1C=C(F)CO1;YZZNMVKOURFMIQ-UHFFFAOYSA-N;117.08;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119751;MM119751;CCNNC(=O)NC=N;XDSDFBUIFWKYFN-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119752;MM119752;Cc1cc(=NO)o[nH]1;IHZCUCCDOWYQFY-UHFFFAOYSA-N;114.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119753;MM119753;CCOC(=NO)NNC;VXZYYOHIRNRBAI-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119754;MM119754;Nc1cc(=NO)o[nH]1;KUIJCSJNCDVIBY-UHFFFAOYSA-N;115.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119755;MM119755;CCc1coc(F)c1O;PHCYNVYNPQRARF-UHFFFAOYSA-N;130.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119756;MM119756;N#CC(CC1CC1O)=NO;QHYDQGRJWDRRMJ-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119757;MM119757;CN=c1nc(N)[nH]o1;YSLUDESEWAYJKD-UHFFFAOYSA-N;114.11;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119758;MM119758;CC#CCCC(C#N)=NO;YXXVEVRMMSUEML-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119759;MM119759;Cc1ncc(C)n(O)c1=O;NWQIHBITDWIDJD-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119760;MM119760;COC(=NO)C(C)=C(F)F;MKMPBEBGDQANKW-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119761;MM119761;CCC1C=CC(C)=C1;ZFDVVXARWVLRCI-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119762;MM119762;CC1=CC(CN)C=C1;LTRGUOGBMFNHBD-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119763;MM119763;CC1=CC(CO)C=C1;ZSNRACKSGKALSG-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119764;MM119764;CC1=CC(CF)C=C1;MUZPHUDLNVWJMP-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119765;MM119765;CCC1C=CC(F)=C1;WJPLPKYRWFVRCN-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119766;MM119766;NCC1C=CC(F)=C1;WVMQKCLPYZQJKK-UHFFFAOYSA-N;113.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119767;MM119767;OCC1C=CC(F)=C1;XQKSUZAUFDBHGC-UHFFFAOYSA-N;114.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119768;MM119768;FCC1C=CC(F)=C1;IILUCNURRRIWMG-UHFFFAOYSA-N;116.11;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119769;MM119769;CNC1C=CC(C)=C1;ISMUZWHQFDBWOI-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119770;MM119770;CNC1C=CC(F)=C1;KEBDCWJMEHTKDO-UHFFFAOYSA-N;113.14;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119771;MM119771;COC1C=CC(C)=C1;RXUPXVVEOFYNNK-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119772;MM119772;COC1C=CC(F)=C1;MBGCUYFIUXHWRL-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119773;MM119773;CCn1ccc(C)c1;LPRJTTSNPNSAEB-UHFFFAOYSA-N;109.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119774;MM119774;CCn1ccc(N)c1;ZIDVMTMIRTVAII-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119775;MM119775;CCn1ccc(F)c1;TVYPPBIPFALAQR-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119776;MM119776;CNn1ccc(C)c1;OQCBNCDOAFATPT-UHFFFAOYSA-N;110.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119777;MM119777;CNn1ccc(N)c1;JBZJRWMLXDGSKW-UHFFFAOYSA-N;111.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119778;MM119778;CNn1ccc(F)c1;YNPQGUTWYQMEES-UHFFFAOYSA-N;114.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119779;MM119779;COn1ccc(C)c1;MEQVGMBDVGABGH-UHFFFAOYSA-N;111.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119780;MM119780;COn1ccc(N)c1;VCFPHCMIKFIQCR-UHFFFAOYSA-N;112.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119781;MM119781;COn1ccc(F)c1;UXIANOPDVISZEO-UHFFFAOYSA-N;115.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119782;MM119782;CCn1cnc(O)c1;OKTXBFAHOJUFGX-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119783;MM119783;CCn1cnc(F)c1;AMWVBIGIBCZUGS-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119784;MM119784;CNn1cnc(C)c1;WBJQJORNFQZQNY-UHFFFAOYSA-N;111.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119785;MM119785;CNn1cnc(N)c1;OMTASFHHDZTJNG-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119786;MM119786;CNn1cnc(O)c1;ILGWHFIZOAKPTO-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119787;MM119787;CNn1cnc(F)c1;UBYCTULPUBEIAQ-UHFFFAOYSA-N;115.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119788;MM119788;COn1cnc(C)c1;OTNSVWCQUZISOL-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119789;MM119789;COn1cnc(N)c1;VDADXPKHBJXLON-UHFFFAOYSA-N;113.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119790;MM119790;COn1cnc(O)c1;WKQJJBABOZPQCJ-UHFFFAOYSA-N;114.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119791;MM119791;COn1cnc(F)c1;ZLKZYRDZLCDUTA-UHFFFAOYSA-N;116.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119792;MM119792;CCn1cc(C)cn1;OLGOTNLCPQXGLS-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119793;MM119793;CCn1cc(N)cn1;HENLKZLWIDJRSC-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119794;MM119794;CCn1cc(F)cn1;ODNCYEZYJAJORY-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119795;MM119795;CNn1cc(C)cn1;GRSKFVHYQVIWCS-UHFFFAOYSA-N;111.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119796;MM119796;CNn1cc(N)cn1;IXFKIPPLTLSUMW-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119797;MM119797;CC=C(C)OC(CF)=NO;LJHCFKXXJWTTEN-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119798;MM119798;CNn1cc(F)cn1;PHLIKRONZVEKOE-UHFFFAOYSA-N;115.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119799;MM119799;COn1cc(C)cn1;LZZLEDKHTMDMIS-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119800;MM119800;COn1cc(N)cn1;HDRRFLPQNQHSCV-UHFFFAOYSA-N;113.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119801;MM119801;N#CCc1nc(F)c(O)[nH]1;KFJKNJRQWXBHBI-UHFFFAOYSA-N;141.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119802;MM119802;COn1cc(F)cn1;BFOUJBFLONLTQX-UHFFFAOYSA-N;116.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119803;MM119803;CCn1cc(C)nn1;MJIOJWXRXDWUBV-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119804;MM119804;CN=Nc1c[nH]c(C)n1;WJZUVJRUDDFLNB-UHFFFAOYSA-N;124.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119805;MM119805;C=C(C)OCC(CO)=NO;HATDLVDZJSLNKU-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119806;MM119806;CCn1cc(F)nn1;VRRMKTYNFCHREQ-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119807;MM119807;CNn1cc(C)nn1;OURVBAIJNOECNA-UHFFFAOYSA-N;112.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119808;MM119808;CC12CCC(=NO)N1C2;QXXLRQKDPHIAGJ-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119809;MM119809;NN=c1cc(O)nnn1N;BTUHRGPTBVOYDU-UHFFFAOYSA-N;142.12;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119810;MM119810;CNn1cc(F)nn1;IUXYXWNKHVXKKI-UHFFFAOYSA-N;116.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119811;MM119811;COn1cc(C)nn1;IYGOFDSOTJUSPL-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119812;MM119812;FCc1c[nH]c(CF)n1;PZTATZCYTMFQIX-UHFFFAOYSA-N;132.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119813;MM119813;C=COc1cc(O)n[nH]1;KTAPVQTZMGBVEP-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119814;MM119814;COn1cc(F)nn1;OEBOYMWPRAHHLJ-UHFFFAOYSA-N;117.08;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119815;MM119815;CCn1ccc(C)n1;FSWUGFSHWYDKTO-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119816;MM119816;CCn1ccc(F)n1;BYYDXOQIVQLJQA-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119817;MM119817;CNn1ccc(C)n1;GCNFHAQGZLJHQK-UHFFFAOYSA-N;111.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119818;MM119818;CNn1ccc(F)n1;HGORZPBMJIQVGD-UHFFFAOYSA-N;115.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119819;MM119819;COn1ccc(C)n1;MPXMXAWMHUYZIE-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119820;MM119820;COn1ccc(F)n1;BHBLAETXCAPZLH-UHFFFAOYSA-N;116.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119821;MM119821;CCn1cnc(C)n1;DKMPEIQNBSCRGB-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119822;MM119822;C=C(C)NC(=O)NC(C)=N;QSJQAQAKNCDZML-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119823;MM119823;CNn1cnc(C)n1;IQYFKBCXLYEKTG-UHFFFAOYSA-N;112.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119824;MM119824;CNC(=O)CC(=O)C(=N)N;ZJXSQQGBYZWNBK-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119825;MM119825;COn1cnc(C)n1;BIIBTUQUCKZHKJ-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119826;MM119826;CC(C)NNC(=O)NC=N;LCZAHOGYEQBMAS-UHFFFAOYSA-N;144.18;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119827;MM119827;CCn1ncc(C)n1;DDHCSHYMEBIDEH-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119828;MM119828;CCn1ncc(F)n1;BTUIAIBWNJUVEX-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119829;MM119829;CCn1nnc(C)n1;GQNMIARMOZAUPM-UHFFFAOYSA-N;112.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119830;MM119830;CCn1nnc(N)n1;SUEIINDYWPMJEW-UHFFFAOYSA-N;113.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119831;MM119831;CNc1nnc(O)[nH]1;KHJOQFFHWNZHHP-UHFFFAOYSA-N;114.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119832;MM119832;C=CC1C=CC(C)=C1;DWABAPPBZQIQJF-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119833;MM119833;CC1=CC(C=O)C=C1;NPLIHVFUEGROSQ-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119834;MM119834;C=CC1C=CC(F)=C1;OHIYCEOHDYJWMF-UHFFFAOYSA-N;110.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119835;MM119835;O=CC1C=CC(F)=C1;SBVMSRMCBDRHRK-UHFFFAOYSA-N;112.1;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119836;MM119836;C=Cn1ccc(C)c1;AMLCUYDKZSIANC-UHFFFAOYSA-N;107.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119837;MM119837;Cc1ccn(C=N)c1;QXZMLRWPBLLFFQ-UHFFFAOYSA-N;108.14;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119838;MM119838;Cc1ccn(C=O)c1;SAXCPEQDAALQEH-UHFFFAOYSA-N;109.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119839;MM119839;C=Cn1ccc(N)c1;YMTHVJZDZKJXLG-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119840;MM119840;N=Cn1ccc(N)c1;NGTRLCMHTKTYBC-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119841;MM119841;Nc1ccn(C=O)c1;NJDLSVBFTKHZKQ-UHFFFAOYSA-N;110.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119842;MM119842;C=Cn1ccc(O)c1;KLOSCHVBAFEZQB-UHFFFAOYSA-N;109.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119843;MM119843;C=Cn1ccc(F)c1;ITMMLTQNAYUUMV-UHFFFAOYSA-N;111.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119844;MM119844;N=Cn1ccc(F)c1;NUCVKYVYEMXEBW-UHFFFAOYSA-N;112.11;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119845;MM119845;O=Cn1ccc(F)c1;KHNBVOKHNOBEOT-UHFFFAOYSA-N;113.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119846;MM119846;C=Nn1ccc(C)c1;IIHCZHZWJNHGRH-UHFFFAOYSA-N;108.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119847;MM119847;C=Nn1ccc(N)c1;LULASWUDLONPSF-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119848;MM119848;C=Nn1ccc(F)c1;XBJLLTPARYAUOT-UHFFFAOYSA-N;112.11;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119849;MM119849;C=Cn1cnc(C)c1;MMFCEMSIUPCRLD-UHFFFAOYSA-N;108.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119850;MM119850;Cc1cn(C=O)cn1;QSCQAVPDAVHZQU-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119851;MM119851;C=Cn1cnc(N)c1;VQOHWSOFCJHNQO-UHFFFAOYSA-N;109.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119852;MM119852;N=Cn1cnc(N)c1;BKIREBRSCWFEOS-UHFFFAOYSA-N;110.12;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119853;MM119853;Nc1cn(C=O)cn1;FYJPNVPKTPLMFP-UHFFFAOYSA-N;111.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119854;MM119854;C=Cn1cnc(O)c1;KSCNKXCBEFAHHS-UHFFFAOYSA-N;110.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119855;MM119855;C=Cn1cnc(F)c1;UFLJYGRPPWXAOW-UHFFFAOYSA-N;112.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119856;MM119856;N=Cn1cnc(F)c1;ZTVZTAOOEVQUSO-UHFFFAOYSA-N;113.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119857;MM119857;O=Cn1cnc(F)c1;PLTUUGXQKFTJBN-UHFFFAOYSA-N;114.08;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119858;MM119858;C=Nn1cnc(N)c1;JDWOEZJLEKWBBV-UHFFFAOYSA-N;110.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119859;MM119859;C=Cn1cc(C)cn1;BRYLACSPKRLIBJ-UHFFFAOYSA-N;108.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119860;MM119860;Cc1cnn(C=O)c1;UQWJPTCFYHKCCU-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119861;MM119861;C=Cn1cc(N)cn1;XYCUKAYIEBPZLY-UHFFFAOYSA-N;109.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119862;MM119862;Nc1cnn(C=O)c1;GJYRBJVTKWKXHQ-UHFFFAOYSA-N;111.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119863;MM119863;COc1nc(=O)n(N)[nH]1;GBEFHVKAFJEXNU-UHFFFAOYSA-N;130.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119864;MM119864;C=Cn1cc(F)cn1;QJBUSKFUPQQNAD-UHFFFAOYSA-N;112.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119865;MM119865;N=Cn1cc(F)cn1;FKRMBACHHVWKKO-UHFFFAOYSA-N;113.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119866;MM119866;O=Cn1cc(F)cn1;WUVRYUWGWLOWHJ-UHFFFAOYSA-N;114.08;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119867;MM119867;C=Nn1cc(C)cn1;BZULPUKIDISHTR-UHFFFAOYSA-N;109.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119868;MM119868;C=Nn1cc(N)cn1;KJUDMHOUNMFAAN-UHFFFAOYSA-N;110.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119869;MM119869;C=Nn1cc(F)cn1;SOQHFHVZTYDVHY-UHFFFAOYSA-N;113.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119870;MM119870;Cc1cn(C=N)nn1;NLVWNPMSEJZTQT-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119871;MM119871;Cc1cn(C=O)nn1;LZEFSRSKPDWVRV-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119872;MM119872;CC(=NN(C)C=N)NC=O;HYOPUVCDZIOFCC-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119873;MM119873;CC=CC(N)=CC(C)=NO;DVUZMZFGLBFLOU-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119874;MM119874;Nc1cn(C=O)nn1;OCEBPPWQZZIYBZ-UHFFFAOYSA-N;112.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119875;MM119875;CCCc1cc(O)n(N)n1;FIRWQTMRSYVTMD-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119876;MM119876;CCc1cc(O)n(N)n1;JWJHQLCWQUSFLS-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119877;MM119877;CNN=CC(C)(F)C=NO;OUCMKHSHAKNPPF-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119878;MM119878;C=Cn1cc(F)nn1;MJIAFKGDSHUIBD-UHFFFAOYSA-N;113.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119879;MM119879;N=Cn1cc(F)nn1;DTHJHJOYBYFCRG-UHFFFAOYSA-N;114.08;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119880;MM119880;O=Cn1cc(F)nn1;BIFPANJQJPEHKH-UHFFFAOYSA-N;115.07;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119881;MM119881;C=Nn1cc(C)nn1;KXSBWMXHIMXCPP-UHFFFAOYSA-N;110.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119882;MM119882;C=CC#CCN(N)C=NO;NMZXFKBNPPEUAM-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119883;MM119883;C=NOC(=NO)C(C)OC;QSEKLSDZOVATBJ-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119884;MM119884;C=Nn1cc(F)nn1;PRWKEIMCUFUTME-UHFFFAOYSA-N;114.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119885;MM119885;C=Cn1ccc(C)n1;HXPGEXSWCTYWSC-UHFFFAOYSA-N;108.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119886;MM119886;Cc1ccn(C=N)n1;CZETWBARPUVENY-UHFFFAOYSA-N;109.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119887;MM119887;Cc1ccn(C=O)n1;JIJPISGTUQJDMO-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119888;MM119888;C=Cn1ccc(F)n1;RSGOEHZMMFLEIB-UHFFFAOYSA-N;112.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119889;MM119889;N=Cn1ccc(F)n1;NDCIWZWZSQYGQY-UHFFFAOYSA-N;113.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119890;MM119890;O=Cn1ccc(F)n1;RABFUKOKTYVRSZ-UHFFFAOYSA-N;114.08;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119891;MM119891;C=Nn1ccc(C)n1;IISBKVCYXQYMQF-UHFFFAOYSA-N;109.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119892;MM119892;C=Nn1ccc(F)n1;YTBBNLGPGWHGQO-UHFFFAOYSA-N;113.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119893;MM119893;C=Cn1cnc(C)n1;IOBPJHNRDOPHLC-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119894;MM119894;Cc1ncn(C=N)n1;BPJHORAPDHDSJX-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119895;MM119895;Cc1ncn(C=O)n1;NSJFOSGYPSIDSL-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119896;MM119896;CCC=CC=C(C)C=NO;QXKYWAQGNOOUBT-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119897;MM119897;C=CCN(N)C(=O)NC=N;SSCOSIRGDSJMPB-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119898;MM119898;Nc1ncn(C=O)n1;CTWHDTIFVXSFBZ-UHFFFAOYSA-N;112.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119899;MM119899;CCc1[nH]nc(C)c1O;JZIGHCFMNBYYSF-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119900;MM119900;C=Nn1cnc(C)n1;KQNYJUZOTALPNJ-UHFFFAOYSA-N;110.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119901;MM119901;N#CC=C(N)C(=O)NC=N;GHSTXYUWIGNLIK-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119902;MM119902;Cn1c(O)nccc1=NO;SDMSHHFMYKSVLU-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119903;MM119903;C=Cn1ncc(C)n1;SZOHDZFDBOKAHR-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119904;MM119904;Cc1cnn(C=N)n1;ZZWFBNSBFLTHAJ-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119905;MM119905;Cc1cnn(C=O)n1;ABEQLCFFABZJEC-UHFFFAOYSA-N;111.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119906;MM119906;C=Cn1ncc(F)n1;NOGPNDCQPGVHOT-UHFFFAOYSA-N;113.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119907;MM119907;N=Cn1ncc(F)n1;XVNYGMLKPJYVRP-UHFFFAOYSA-N;114.08;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119908;MM119908;O=Cn1ncc(F)n1;PVERLMNXSVXXJV-UHFFFAOYSA-N;115.07;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119909;MM119909;C=Cn1nnc(C)n1;WCNGCEKCCXPVHY-UHFFFAOYSA-N;110.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119910;MM119910;Cc1nnn(C=N)n1;IAQDQWNMWKPWFB-UHFFFAOYSA-N;111.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119911;MM119911;Cc1nnn(C=O)n1;YABJSCUVFSCAIA-UHFFFAOYSA-N;112.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119912;MM119912;C=Cn1nnc(N)n1;WLUSKOCZCDYHPX-UHFFFAOYSA-N;111.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119913;MM119913;C=CC=NNC(=O)C(=N)N;GPIFCPQDOBUEEQ-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119914;MM119914;Nc1nnn(C=O)n1;AHXAEEMELWLHIX-UHFFFAOYSA-N;113.08;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119915;MM119915;Cc1cnc(N)c(=O)n1O;LHSALMWOGDPEBW-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119916;MM119916;Cn1nc(O)n(N)c1=NN;BHVRCFWZSNWJDD-UHFFFAOYSA-N;144.14;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119917;MM119917;CC1(C#N)CC(C#N)C1=O;IYFAIOCYRIIDJF-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119918;MM119918;C#CC1C=CC(C)=C1;VFHAZWYALCBCLP-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119919;MM119919;C#CC1C=CC(F)=C1;XCHJJXCSGGCJAT-UHFFFAOYSA-N;108.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119920;MM119920;CC=C1C=CC(C)=C1;RTVAPBQGJLMXEJ-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119921;MM119921;CC1=CC(=CF)C=C1;OHCFBMUDYLUEEA-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119922;MM119922;CC=C1C=CC(F)=C1;PIASQLLTBAKXOB-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119923;MM119923;FC=C1C=CC(F)=C1;JXLUNLSZXLFNDJ-UHFFFAOYSA-N;114.09;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119924;MM119924;CC1=CC(=NN)C=C1;HDINMIIOAQDJSE-UHFFFAOYSA-N;108.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119925;MM119925;CC1=CC(=NO)C=C1;YQXSSBFVNFQBRO-UHFFFAOYSA-N;109.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119926;MM119926;NC1=CC(=NO)C=C1;HPABIFJBNMSFTD-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119927;MM119927;NN=C1C=CC(F)=C1;KJVPWNUMEKSSOK-UHFFFAOYSA-N;112.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119928;MM119928;Cc1cc(N=O)c[nH]1;ZZLLZMIBMZMMNW-UHFFFAOYSA-N;110.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119929;MM119929;CN(C)N(C)C(=O)NC=N;FCCVGZMMWKVWSY-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119930;MM119930;C=C1C(=N)NC(=O)CC1C;IIAJCKCSOHIJNF-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119931;MM119931;CN=C1C=C(C)C=N1;AJZBHAOSYHEBGG-UHFFFAOYSA-N;108.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119932;MM119932;N#CCC1CN(C=NO)C1;DDESKXGXMLCUPG-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119933;MM119933;C#CC(=O)CNC(C)=NO;YOZGIVKYIPLZKC-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119934;MM119934;CC(C)C#CC(=NO)NN;SZZWXBRYAHURBU-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119935;MM119935;CN(C=NC=N)NC=NO;FXDFKRGWBNFLKV-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119936;MM119936;CN=C1C=C(F)C=N1;CYKPAPRRXJXYAX-UHFFFAOYSA-N;112.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119937;MM119937;CCC(C)C(N)=CC=NO;UUMOKIUDSGTROV-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119938;MM119938;O=Nc1cc(F)c[nH]1;GQGSVUFQJMNHIJ-UHFFFAOYSA-N;114.08;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119939;MM119939;CN=C1C=CC(C)=N1;JYPYBUDOLZBDMI-UHFFFAOYSA-N;108.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119940;MM119940;ON=CNCCC(F)CF;GWTWLOADPBLNSH-UHFFFAOYSA-N;152.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119941;MM119941;C=CC(F)C=CNC=NO;BJLCJMSWVKZVGR-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119942;MM119942;CN=C1C=NC(C)=N1;PXWCQNKTIZKCSK-UHFFFAOYSA-N;109.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119943;MM119943;C=CCC(=NO)N(C)C=C;USLPLRNDQIVATG-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119944;MM119944;Cc1nc(N=O)c[nH]1;WIIOIIJVYYMKNJ-UHFFFAOYSA-N;111.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119945;MM119945;CN=C1N=CC(C)=N1;AKTDTPYUZGLABO-UHFFFAOYSA-N;109.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119946;MM119946;C=CC(CCC=NN)=NO;YNAMRIQNIHRNMJ-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119947;MM119947;CCC1=CCC(C)=C1;AOUGDAYMVXBDDZ-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119948;MM119948;CC1=CC(CN)=CC1;UVZMAGFJCMHXCG-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119949;MM119949;CC1=CC(CO)=CC1;LRLVHULOPYZGGX-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119950;MM119950;CC1=CC(CF)=CC1;AQCMCCIQTZLPSO-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119951;MM119951;CCC1=CCC(F)=C1;IKFCWZADGHSTTE-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119952;MM119952;NCC1=CCC(F)=C1;BSJRYVVTZHZXDB-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119953;MM119953;OCC1=CCC(F)=C1;MLYBRFKOYJKZEC-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119954;MM119954;FCC1=CCC(F)=C1;KLCQQLOROFYLHS-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119955;MM119955;COC1=CCC(C)=C1;APZJIMJYFRIPDE-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119956;MM119956;COC1=CCC(F)=C1;FSPKSZPLQGLABY-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119957;MM119957;CCc1c[nH]c(C)c1;HWXJSNSZAOSLAS-UHFFFAOYSA-N;109.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119958;MM119958;Cc1cc(CO)c[nH]1;LGKZTJMBIAZTBM-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119959;MM119959;Cc1cc(CF)c[nH]1;UIFIYZBZLCLCNP-UHFFFAOYSA-N;113.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119960;MM119960;N=CNC(=O)C(=CF)CO;XJDWUMAOZCOCAS-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119961;MM119961;NCc1c[nH]c(N)c1;ZIWYKIXUTPESAU-UHFFFAOYSA-N;111.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119962;MM119962;C#CCC1=CC(=NO)NC1;PLLLSQNIOSVTCJ-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119963;MM119963;CC=Cc1ncn(O)c1C;UMCHKGNKEURFQK-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119964;MM119964;CCc1c[nH]c(O)c1;BVHVNGNESBVOHQ-UHFFFAOYSA-N;111.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119965;MM119965;NCc1c[nH]c(O)c1;WUDWUEIJHBUPBG-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119966;MM119966;OCc1c[nH]c(O)c1;RFLVEDGVUSEIGS-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119967;MM119967;Oc1cc(CF)c[nH]1;DWROCUXTMJHWOA-UHFFFAOYSA-N;115.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119968;MM119968;CCc1c[nH]c(F)c1;WSGDZEUGMRRJHT-UHFFFAOYSA-N;113.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119969;MM119969;NCc1c[nH]c(F)c1;KLAWQXFIASKXJG-UHFFFAOYSA-N;114.12;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119970;MM119970;OCc1c[nH]c(F)c1;JNTKEESCCIKTNH-UHFFFAOYSA-N;115.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119971;MM119971;FCc1c[nH]c(F)c1;IPMOFDBOTRXKJZ-UHFFFAOYSA-N;117.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119972;MM119972;CC1C(C=CC=NO)N1C;KTCHSRSHCQTFKB-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119973;MM119973;C=CC1=NNC(=NO)NC1;CCCZIHZJBRDFFC-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119974;MM119974;CNc1c[nH]c(O)c1;QCGSUUQMJYIDEA-UHFFFAOYSA-N;112.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119975;MM119975;C#CC1=CNC(=NO)CC1;OZHQEDBWUUKBOR-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119976;MM119976;COc1c[nH]c(C)c1;AWUJMFBHRAMKQQ-UHFFFAOYSA-N;111.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119977;MM119977;CC1=NN=C(NN)C1;YSTJHGSEKHFVDY-UHFFFAOYSA-N;112.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119978;MM119978;COc1c[nH]c(O)c1;QIUGUMSLQRTATL-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119979;MM119979;COc1c[nH]c(F)c1;XHWBMEUEZVVJIY-UHFFFAOYSA-N;115.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119980;MM119980;CCc1coc(C)c1;YOOXVPZFZZAHDH-UHFFFAOYSA-N;110.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119981;MM119981;Cc1cc(CN)co1;JCEWFVSQKKVQDD-UHFFFAOYSA-N;111.14;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119982;MM119982;Cc1cc(CO)co1;IVMUOQVJXSCZKF-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119983;MM119983;Cc1cc(CF)co1;UUBZWXLOOVCKSG-UHFFFAOYSA-N;114.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119984;MM119984;CCc1coc(N)c1;QRPNQXNWVBSEOU-UHFFFAOYSA-N;111.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119985;MM119985;NCc1coc(N)c1;UTPZCORCRMWDPY-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119986;MM119986;Nc1cc(CO)co1;FFMVPEGCFMTJPY-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119987;MM119987;Nc1cc(CF)co1;GMJPNIVYIPANGN-UHFFFAOYSA-N;115.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119988;MM119988;CCc1coc(F)c1;VMAKGOYZVKWVST-UHFFFAOYSA-N;114.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119989;MM119989;NCc1coc(F)c1;VLVVUHQJGSEBSY-UHFFFAOYSA-N;115.11;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119990;MM119990;OCc1coc(F)c1;NEUABYZWFFOLDD-UHFFFAOYSA-N;116.09;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119991;MM119991;FCc1coc(F)c1;YHGDMHSQFWGPLZ-UHFFFAOYSA-N;118.08;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119992;MM119992;CNc1coc(C)c1;UURABQPRWBYYBL-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119993;MM119993;Cc1cnc(C)n1O;ROEGWOMMVRXUGM-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119994;MM119994;CNc1coc(F)c1;AFOXNHBGVRTFCD-UHFFFAOYSA-N;115.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119995;MM119995;COc1coc(C)c1;BHNUXGQWNOATKV-UHFFFAOYSA-N;112.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119996;MM119996;COc1coc(N)c1;FNAVANYVPOTDNX-UHFFFAOYSA-N;113.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119997;MM119997;COc1coc(F)c1;STFTVPIEBROVMF-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119998;MM119998;O=CCNNC=NO;KWMPBEGXOPFJNC-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM119999;MM119999;Cc1cc(CN)[nH]n1;JDYUVIGEKYZHLK-UHFFFAOYSA-N;111.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120000;MM120000;C#CCC(=N)NC(N)=O;FXZSNBQKWGEPPS-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120001;MM120001;C=NN=CC(=O)NC=N;OAXXDEGGBNPHFG-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120002;MM120002;C=CC(=C)C=CC=NO;CQJGVPWETRZKRO-UHFFFAOYSA-N;123.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120003;MM120003;CCC(O)C(=O)NC=N;XRYJWKTVPYJMEG-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120004;MM120004;CNN(C)C(=O)NC=N;DSVJBONOFNDCCB-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120005;MM120005;O=c1[nH]oc(=NN2CC2)[nH]1;PBMJTHGGOUMZDJ-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120006;MM120006;Cc1nc(=O)n(O)n1C;ILJKERHJEZBQFS-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120007;MM120007;CCc1nc(=O)n(O)n1C;SENZJCYXGPUWHE-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120008;MM120008;CCc1cc(F)[nH]n1;VVNNUILIJZTXOC-UHFFFAOYSA-N;114.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120009;MM120009;OCc1cc(F)n[nH]1;WBJODPSVZUTQCI-UHFFFAOYSA-N;116.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120010;MM120010;NN=C(N)C(=O)NC=O;LABMUINPKIAEOM-UHFFFAOYSA-N;130.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120011;MM120011;C=C1CCC(=O)NC1=N;NWTFLXVUMBHNGF-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120012;MM120012;O=CC(=O)C(O)C(=O)CF;XJVNSEOZJVLIEM-UHFFFAOYSA-N;148.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120013;MM120013;CCc1cc(C)on1;LBETWQFXCZVMFP-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120014;MM120014;Cc1cc(CO)no1;MDYHWQQHEWDJKR-UHFFFAOYSA-N;113.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120015;MM120015;Cc1cc(CF)no1;RQMFQHDQRVFPDM-UHFFFAOYSA-N;115.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120016;MM120016;CCc1cc(=N)o[nH]1;JZVHGNXBVMNXKY-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120017;MM120017;N=c1cc(CN)[nH]o1;NKBBXKGSCRYLRE-UHFFFAOYSA-N;113.12;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120018;MM120018;N=c1cc(CO)[nH]o1;OGKUHNHXZYQJBL-UHFFFAOYSA-N;114.1;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120019;MM120019;Cc1c(F)n(O)n(O)c1=O;NKYNKWZVHRNLLM-UHFFFAOYSA-N;148.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120020;MM120020;O=c1c(O)cn(O)n1O;TTXZGDFXORQKNC-UHFFFAOYSA-N;132.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120021;MM120021;O=c1ncccn1O;MZGRODPRIKETFE-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120022;MM120022;CCc1cc(F)on1;DIEBAJWSFOQCJC-UHFFFAOYSA-N;115.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120023;MM120023;OCc1cc(F)on1;VCZBJHOAFPNGAT-UHFFFAOYSA-N;117.08;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120024;MM120024;FCc1cc(F)on1;JRYLUSGQUYWJEK-UHFFFAOYSA-N;119.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120025;MM120025;COc1cc(C)on1;CCCGZCQYXYLDIH-UHFFFAOYSA-N;113.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120026;MM120026;CNNC(=O)NOC(C)=O;RTLHWTPUFKELIT-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120027;MM120027;Cc1c(O)coc1C#N;HDCMPWFCPGRHRY-UHFFFAOYSA-N;123.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120028;MM120028;COc1cc(F)on1;CMKZTOFTOLQKGZ-UHFFFAOYSA-N;117.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120029;MM120029;CCc1c[nH]c(N)n1;RFDQETHJZZCIIU-UHFFFAOYSA-N;111.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120030;MM120030;NCc1c[nH]c(N)n1;FERYYGXLYJRJIG-UHFFFAOYSA-N;112.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120031;MM120031;CCc1c[nH]c(O)n1;YNKXUNTWNWDIED-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120032;MM120032;OCc1c[nH]c(O)n1;YVZAWIOJTPGCPQ-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120033;MM120033;Oc1nc(CF)c[nH]1;ZMXZGBOYCNVFSD-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120034;MM120034;CNc1c[nH]c(O)n1;NIJOROOAFYLTGV-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120035;MM120035;CCC(=O)NC(=O)NNC;QNSSKKWPCAERLF-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120036;MM120036;COc1c[nH]c(O)n1;WXXMYOSLFPZXGC-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120037;MM120037;CCc1coc(C)n1;FLRAVPRRUDBVKJ-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120038;MM120038;Cc1nc(CO)co1;BGPDSEDYUPFTBI-UHFFFAOYSA-N;113.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120039;MM120039;Cc1nc(CF)co1;NNBNBSFUOYJRIN-UHFFFAOYSA-N;115.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120040;MM120040;C=C(C=NO)CC(C)CO;IRWFKKJTAFSSIH-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120041;MM120041;CNNC(=O)COCC#N;QGQCCXBTKHTHRK-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120042;MM120042;N#CCOCC(=O)NC=N;UODIZFIODXWRHL-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120043;MM120043;CCc1coc(F)n1;UMBCPZWQZCILBW-UHFFFAOYSA-N;115.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120044;MM120044;OCc1coc(F)n1;PUCAKJDZJXSKMO-UHFFFAOYSA-N;117.08;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120045;MM120045;FCc1coc(F)n1;KOLMIMJCKNQHOQ-UHFFFAOYSA-N;119.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120046;MM120046;C=C(C=NO)CCCOC;JSHDXQBPOCPIOD-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120047;MM120047;C=NN=CCN(N)C=NO;OEFJKNDETCFOEO-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120048;MM120048;CNc1coc(F)n1;RIYGBALWZJDZCV-UHFFFAOYSA-N;116.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120049;MM120049;COc1coc(C)n1;JGKCJISFEWFAOD-UHFFFAOYSA-N;113.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120050;MM120050;COc1coc(N)n1;LFQSIGRKASHROK-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120051;MM120051;COc1coc(F)n1;JAJLBPQQCZJSED-UHFFFAOYSA-N;117.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120052;MM120052;Cc1n[nH]c(CO)n1;BMTFHVKZYIOHBE-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120053;MM120053;CCCN(N)C(=O)NC=N;WORBGKFDLHUNEO-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120054;MM120054;Nc1nc(CO)n[nH]1;WQWSMVWRGAFPJX-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120055;MM120055;Nc1nc(CF)n[nH]1;NKOALOOVDBPNSW-UHFFFAOYSA-N;116.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120056;MM120056;O=C(NO)OC(CO)=NO;AQSOQABZTKMNGH-UHFFFAOYSA-N;150.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120057;MM120057;COc1nn(N)c(=O)[nH]1;GBEFHVKAFJEXNU-UHFFFAOYSA-N;130.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120058;MM120058;C#Cc1nc(C)c(O)o1;WNBBLDMSDXPRGS-UHFFFAOYSA-N;123.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120059;MM120059;N=CNC(=O)N(N)CCO;RHDRGBXJUBDUHI-UHFFFAOYSA-N;146.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120060;MM120060;C#CC(=NO)C(CO)=NO;TWNVWMZWKGRROM-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120061;MM120061;COc1n[nH]c(N)n1;JUHWLXRDVSBGOO-UHFFFAOYSA-N;114.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120062;MM120062;COCC(CO)=NO;VZOZWZDKVGIOAO-UHFFFAOYSA-N;119.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120063;MM120063;CCc1noc(C)n1;VYOKPNRCLLJIFR-UHFFFAOYSA-N;112.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120064;MM120064;Cc1nc(CO)no1;QAMJOTCGJONJDI-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120065;MM120065;Cc1nc(CF)no1;LYFXHKUXDBFWNN-UHFFFAOYSA-N;116.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120066;MM120066;CCc1noc(N)n1;HGPUJQWMCPURNO-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120067;MM120067;Nc1nc(CO)no1;GKDNAURTOIAWEO-UHFFFAOYSA-N;115.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120068;MM120068;Nc1nc(CF)no1;RWLJYDLJKBRXQH-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120069;MM120069;N#CCOC(C=O)C=NO;ALLKGZKFTIAMCE-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120070;MM120070;C=C(F)C(=O)C(O)C=NO;DSCBTODGEAXDBP-UHFFFAOYSA-N;147.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120071;MM120071;COC(C=NO)C(C)(F)F;DCYYBNYOQQSWKS-UHFFFAOYSA-N;153.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120072;MM120072;CCc1noc(F)n1;NYYNFDOGZAXSOJ-UHFFFAOYSA-N;116.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120073;MM120073;OCc1noc(F)n1;ZEJXGZHZLCGUEG-UHFFFAOYSA-N;118.07;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120074;MM120074;FCc1noc(F)n1;FPYGSRLGEVOLSX-UHFFFAOYSA-N;120.06;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120075;MM120075;CNc1noc(C)n1;UANQHMWHDXKGJB-UHFFFAOYSA-N;113.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120076;MM120076;CNc1noc(N)n1;ZOBGCVQACJESEY-UHFFFAOYSA-N;114.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120077;MM120077;CNc1ncc(O)o1;BKVHAQXRYJFGDY-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120078;MM120078;CNc1noc(F)n1;QTKKOIBJDAVCDR-UHFFFAOYSA-N;117.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120079;MM120079;COc1noc(C)n1;RSXJCJINAWVHTD-UHFFFAOYSA-N;114.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120080;MM120080;COc1noc(N)n1;ONQBEORAJCFDLJ-UHFFFAOYSA-N;115.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120081;MM120081;NN=c1oc(O)c(O)n1O;NUXHBEVGDQIIFA-UHFFFAOYSA-N;147.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120082;MM120082;COc1noc(F)n1;LZELBLGUSPDXDH-UHFFFAOYSA-N;118.07;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120083;MM120083;C=CC1=CCC(C)=C1;OSIRDKVCFAXZEE-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120084;MM120084;CC1=CC(C=O)=CC1;MDDCWRQDSMJCIS-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120085;MM120085;CC1=CC(C#N)=CC1;UMLDWCNXRVQMIM-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120086;MM120086;C=CC1=CCC(F)=C1;BVPLSTQAIXAFRW-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120087;MM120087;O=CC1=CCC(F)=C1;XKJYOZNMCAVRDE-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120088;MM120088;N#CC1=CCC(F)=C1;FAEVAURDKLNBRP-UHFFFAOYSA-N;109.1;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120089;MM120089;C=Cc1c[nH]c(C)c1;BNAUJTFMJBDUGK-UHFFFAOYSA-N;107.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120090;MM120090;Cc1cc(C#N)c[nH]1;KDUPXCBAPFYOAC-UHFFFAOYSA-N;106.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120091;MM120091;C=COC(C)C(=O)NC=N;LEVFPWLGMURQQU-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120092;MM120092;COC(=NO)N(C)N(C)C;BBKWYGDXZZOAJE-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120093;MM120093;CN(C)C(=O)NC=NC=N;IFWPDVIIGRPGHL-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120094;MM120094;C=Cc1c[nH]c(O)c1;XZLJGEZEYUDJDN-UHFFFAOYSA-N;109.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120095;MM120095;COc1[nH]nc(O)c1C;JFFBWCMBGJFIAX-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120096;MM120096;C=Cc1c[nH]c(F)c1;PAWPJEVHFNNVDV-UHFFFAOYSA-N;111.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120097;MM120097;Cc1c[nH]n(C=N)c1=O;CZGSGDWCLSQJKO-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120098;MM120098;N#Cc1c[nH]c(F)c1;BNHJGTUGAFXTCZ-UHFFFAOYSA-N;110.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120099;MM120099;C=Cc1coc(C)c1;HPAKBLXUROVYDU-UHFFFAOYSA-N;108.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120100;MM120100;Cc1cc(C=O)co1;YEXWWHZOVRNTOY-UHFFFAOYSA-N;110.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120101;MM120101;Cc1cc(C#N)co1;LJTOHQRHILRDAR-UHFFFAOYSA-N;107.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120102;MM120102;C=Cc1coc(N)c1;JGDGTXMPUDMAOE-UHFFFAOYSA-N;109.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120103;MM120103;Nc1cc(C=O)co1;ZAYVRYSXUSUABX-UHFFFAOYSA-N;111.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120104;MM120104;N#Cc1coc(N)c1;PCEDNTZYQMLYAY-UHFFFAOYSA-N;108.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120105;MM120105;NN=CCOC(CF)=NO;KJUXQBSJCMOKPV-UHFFFAOYSA-N;149.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120106;MM120106;Cc1nc(=O)n(O)n1N;JZBSYNBNKZUEFK-UHFFFAOYSA-N;130.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120107;MM120107;C=Cc1coc(F)c1;BSNITCVVDPXGFK-UHFFFAOYSA-N;112.1;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120108;MM120108;O=Cc1coc(F)c1;HKZLEMFXNQMEHU-UHFFFAOYSA-N;114.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120109;MM120109;N#Cc1coc(F)c1;QQEAMBPUESAPER-UHFFFAOYSA-N;111.08;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120110;MM120110;C=C(NC(CC)=NO)OC;DPYPWGQJGMNRTH-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120111;MM120111;CCc1nc(=O)n(O)n1N;WXLSKWYCKKZSIL-UHFFFAOYSA-N;144.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120112;MM120112;Cc1cc(C#N)[nH]n1;XTBXUVDOFGVBLP-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120113;MM120113;CCC(N)=CC(CC)=NO;AGMRFIRYFXKVKT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120114;MM120114;C=C(CO)CC=CC=NO;XGRSTVCVMFRAPQ-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120115;MM120115;C=CN(C=C)C(=O)NC=N;FUHYEDZWQWCUPE-UHFFFAOYSA-N;139.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120116;MM120116;N=c1[nH]c(C=O)co1;HJZRVIBAOCXJNA-UHFFFAOYSA-N;112.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120117;MM120117;N=c1[nH]c(O)c(O)o1;UJSIZQGUWFCYEU-UHFFFAOYSA-N;116.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120118;MM120118;O=CNNC(=O)C(F)F;PGFPCPSIXADMOB-UHFFFAOYSA-N;138.07;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120119;MM120119;C=Cc1cc(F)n[nH]1;RRRXFUIRTSBRBT-UHFFFAOYSA-N;112.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120120;MM120120;C=C(F)C(=O)NOCC;WFKWYNOQZDWKQZ-UHFFFAOYSA-N;133.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120121;MM120121;C=Cc1cc(C)on1;WWKVBSFCJGUPIJ-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120122;MM120122;Cc1cc(C=O)no1;OCOCVXUEFWNRJU-UHFFFAOYSA-N;111.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120123;MM120123;Cc1cc(C#N)no1;JTPIMYCMWLOEDD-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120124;MM120124;C=Cc1cc(=N)o[nH]1;LVBXAGPBEBPQKF-UHFFFAOYSA-N;110.12;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120125;MM120125;COC1CC(=O)NO1;SVANCIXQPULFNT-UHFFFAOYSA-N;117.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120126;MM120126;Cc1c(O)c(=O)n(O)n1O;NXYNTYPRFKAKSW-UHFFFAOYSA-N;146.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120127;MM120127;Oc1nc(F)c(F)o1;DKFNSILDELJZLZ-UHFFFAOYSA-N;121.04;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120128;MM120128;C=Cc1cc(F)on1;QODBMIPKHLEAAY-UHFFFAOYSA-N;113.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120129;MM120129;O=Cc1cc(F)on1;HKFYKFOQJCXOFE-UHFFFAOYSA-N;115.06;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120130;MM120130;N#Cc1cc(F)on1;KVYWATIHGGKWGX-UHFFFAOYSA-N;112.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120131;MM120131;C=Cc1c[nH]c(N)n1;QRVPWWHJIUNSOT-UHFFFAOYSA-N;109.13;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120132;MM120132;C=CCC1=NNC(=NN)C1;JTZSNEAUALPGSY-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120133;MM120133;C=Cc1c[nH]c(O)n1;LADNVFNFDHUFLU-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120134;MM120134;C#CCc1cc(O)c(F)o1;DILYTNMYOFDOFC-UHFFFAOYSA-N;140.11;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120135;MM120135;N#Cc1c[nH]c(O)n1;MVUWMWWYYQYMEQ-UHFFFAOYSA-N;109.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120136;MM120136;C=Cc1coc(C)n1;DNNVEFIBWRTXLX-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120137;MM120137;Cc1nc(C=O)co1;ARAUEWKXKTYCHZ-UHFFFAOYSA-N;111.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120138;MM120138;Cc1nc(C#N)co1;NVFTYSPOXDAKMQ-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120139;MM120139;C=Cc1nc(CC#N)c[nH]1;DGHYWMYZHWKVGO-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120140;MM120140;Nc1nc(C=O)co1;HJZRVIBAOCXJNA-UHFFFAOYSA-N;112.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120141;MM120141;N#Cc1coc(N)n1;SQXSAKSTBAYJJW-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120142;MM120142;Cn1c(O)cncc1=O;ZCZKXLKRYTYZQH-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120143;MM120143;C=Cc1coc(F)n1;JLNYBSXYBCESLB-UHFFFAOYSA-N;113.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120144;MM120144;O=Cc1coc(F)n1;WQTMMDUQDQGKTK-UHFFFAOYSA-N;115.06;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120145;MM120145;N#Cc1coc(F)n1;KYVGRGGROMJDOG-UHFFFAOYSA-N;112.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120146;MM120146;C=COc1nc(CC)c[nH]1;HUMANQMOXDBBIB-UHFFFAOYSA-N;138.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120147;MM120147;Nc1nc(C=O)n[nH]1;DMNLQSWHWCKOGP-UHFFFAOYSA-N;112.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120148;MM120148;N#Cc1n[nH]c(N)n1;ABNCJPUPSBOIDL-UHFFFAOYSA-N;109.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120149;MM120149;C#CC(C)CC(C#N)=NO;TXXKYWMMAHCTOS-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120150;MM120150;CN=c1[nH]c(=O)c(N)no1;GXXHATCNWVYEDY-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120151;MM120151;C#CC#CC(C=NO)OC;BETJQBDARKLIDK-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120152;MM120152;C=Cc1noc(C)n1;MJMVHBJEFDWMRJ-UHFFFAOYSA-N;110.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120153;MM120153;Cc1nc(C=O)no1;BZTWTWNMQUXTGY-UHFFFAOYSA-N;112.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120154;MM120154;Cc1nc(C#N)no1;BNIAJAXYEFVSAV-UHFFFAOYSA-N;109.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120155;MM120155;C=Cc1noc(N)n1;XOJUAZLHBRMGMQ-UHFFFAOYSA-N;111.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120156;MM120156;Nc1nc(C=O)no1;AMOFHJPVADRJHM-UHFFFAOYSA-N;113.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120157;MM120157;N#Cc1noc(N)n1;WEFDLJVQMNIDIF-UHFFFAOYSA-N;110.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120158;MM120158;ON=CC#CC(O)C=NO;CKMACPJOMVELAV-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120159;MM120159;C=CCn1cc(C)c(O)n1;SFAJLXMGUIGUET-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120160;MM120160;C#Cc1cc(O)n[nH]1;UKWXDXJOGNGXML-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120161;MM120161;C=Cc1noc(F)n1;IMHUVWDNJUQUGG-UHFFFAOYSA-N;114.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120162;MM120162;O=Cc1noc(F)n1;WNHIJZWIYFQTEC-UHFFFAOYSA-N;116.05;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120163;MM120163;N#Cc1noc(F)n1;LDAISYZKMYLAJT-UHFFFAOYSA-N;113.05;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120164;MM120164;C#CC1=CCC(C)=C1;WNFQHQNSQJGERP-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120165;MM120165;C#CC1=CCC(F)=C1;FVYYCRUAKJFTNL-UHFFFAOYSA-N;108.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120166;MM120166;C#Cc1c[nH]c(C)c1;WSTXLIUTMOBZSE-UHFFFAOYSA-N;105.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120167;MM120167;CCC1CC1C(=NO)NN;PBGWQNSWWYBVAQ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120168;MM120168;C#Cc1c[nH]c(O)c1;IFLUYTMKLLIUEU-UHFFFAOYSA-N;107.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120169;MM120169;C#Cc1c[nH]c(F)c1;SHDNSECRAWDSRJ-UHFFFAOYSA-N;109.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120170;MM120170;C#Cc1coc(C)c1;QXUYRCPJDDKAGM-UHFFFAOYSA-N;106.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120171;MM120171;C#Cc1coc(N)c1;IFLVDPGIDPLGNS-UHFFFAOYSA-N;107.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120172;MM120172;Nn1cc(O)n(O)c1=O;CAAUYLRHQXJIBG-UHFFFAOYSA-N;131.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120173;MM120173;C#Cc1coc(F)c1;FGGOLDAJDGVQMR-UHFFFAOYSA-N;110.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120174;MM120174;Nc1c2ccnc-2[nH]n1O;BOVJOWMLNDEZKC-UHFFFAOYSA-N;138.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120175;MM120175;CCC1=NNC(=NO)NC1;AIHBXLPKVJIAGR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120176;MM120176;CCNc1nnc(O)[nH]1;SUNWAICEZWKMPZ-UHFFFAOYSA-N;128.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120177;MM120177;C#Cc1cc(F)n[nH]1;ATMXHGCTYPAKRK-UHFFFAOYSA-N;110.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120178;MM120178;C#Cc1cc(C)on1;HHQOAUBZNRGZNP-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120179;MM120179;N#CC(C=C(N)CF)=NO;BCLYFGVCGQHJAF-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120180;MM120180;C#Cc1cc(F)on1;GUIVXUIECMYWJC-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120181;MM120181;C#Cc1c[nH]c(O)n1;BDBFZFJDELLNQC-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120182;MM120182;C#Cc1coc(C)n1;PMMMVQCLDPEHFI-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120183;MM120183;C#Cc1coc(N)n1;ZIXQTMUIIDWJLS-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120184;MM120184;C#Cc1coc(F)n1;AJNWPMZFGAJYEP-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120185;MM120185;C#Cc1n[nH]c(N)n1;UKTHZHBZSKQHQD-UHFFFAOYSA-N;108.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120186;MM120186;Cc1c(O)n(N)nnc1=O;GIJOSUNEKVPUFH-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120187;MM120187;C#Cc1noc(C)n1;JUAHOLTXTHKVGS-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120188;MM120188;C#Cc1noc(N)n1;QZKOEWAKRWYEIG-UHFFFAOYSA-N;109.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120189;MM120189;Nc1c(F)c(=O)n(O)n1N;GPEKGIAQXYEVPT-UHFFFAOYSA-N;148.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120190;MM120190;C#Cc1noc(F)n1;YOGVHELCYCQDSQ-UHFFFAOYSA-N;112.06;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120191;MM120191;CCC1=CC(C)CC1;OUCAKRVJNCQSPG-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120192;MM120192;CC1C=C(CN)CC1;SNOXFVCYAMQYPB-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120193;MM120193;CC1C=C(CO)CC1;LAEUAIQGUIVNGY-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120194;MM120194;CC1C=C(CF)CC1;WHFNZFFWGVGVRY-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120195;MM120195;CCC1=CC(N)CC1;FCSATZPCDVFQNB-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120196;MM120196;NCC1=CC(N)CC1;BJNXVUJMNWFHNO-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120197;MM120197;NC1C=C(CO)CC1;CZRUAIJTMXTVBD-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120198;MM120198;NC1C=C(CF)CC1;RXILBTITEVKUGD-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120199;MM120199;C#CCN(N)C=NO;QBDFDNULIQKODG-UHFFFAOYSA-N;113.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120200;MM120200;NCC1=CC(O)CC1;YXMQUUJXUDHLPL-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120201;MM120201;OCC1=CC(O)CC1;BDPJHMJSYQYDIF-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120202;MM120202;OC1C=C(CF)CC1;VMXFKXAFBXFAAA-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120203;MM120203;CCC1=CC(F)CC1;KQCYPNXYVUAEHA-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120204;MM120204;NCC1=CC(F)CC1;CMNBPHBMGPCTMA-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120205;MM120205;OCC1=CC(F)CC1;OTMAERCOFYOKRP-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120206;MM120206;FCC1=CC(F)CC1;UOJTUUZAKDPFOX-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120207;MM120207;COC1=CC(C)CC1;OWQHHNYHDGYXBA-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120208;MM120208;COC1=CC(N)CC1;JSGSCDUCJZICJG-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120209;MM120209;COC1=CC(O)CC1;KIVRCYUIUVXZOB-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120210;MM120210;COC1=CC(F)CC1;KRZTYIFEHFXELN-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120211;MM120211;CCC1=CC(C)NC1;DOIIIVASULYALN-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120212;MM120212;CC1C=C(CN)CN1;RCHNDKZKMWSUEW-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120213;MM120213;CC1C=C(CO)CN1;NRDQMAALYIAXRY-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120214;MM120214;CC1C=C(CF)CN1;GSFGRNVTQAZYPX-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120215;MM120215;COC1=CC(C)NC1;OFILZNKIYUZJKZ-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120216;MM120216;CCC1=CC(C)OC1;VPUUJURDJAUQPB-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120217;MM120217;CC1C=C(CN)CO1;FHLKQKMAABBCRB-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120218;MM120218;CC1C=C(CO)CO1;RCXMFBLPUUSJIA-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120219;MM120219;CC1C=C(CF)CO1;MYTOEGYWDWLJKP-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120220;MM120220;COC1=CC(C)OC1;FZJMEEAOEJRYAV-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120221;MM120221;CCC1=CC(C)CO1;ZYYNCDHHSWTALP-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120222;MM120222;CC1C=C(CN)OC1;NMNJIXIOQZNXQX-UHFFFAOYSA-N;113.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120223;MM120223;CC1C=C(CO)OC1;DOMLOROYYLAVQP-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120224;MM120224;CC1C=C(CF)OC1;GKFYLDHDKOUGGO-UHFFFAOYSA-N;116.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120225;MM120225;CCC1=CC(N)CO1;LOEDTWTYYLAYIH-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120226;MM120226;NCC1=CC(N)CO1;GQKVHZLUSKJSJN-UHFFFAOYSA-N;114.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120227;MM120227;NC1C=C(CO)OC1;DDVQGJAWTDAHMO-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120228;MM120228;NC1C=C(CF)OC1;DOILXTPYJLQKEQ-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120229;MM120229;CCC1=CC(O)CO1;WBYUSVMDNOYVRO-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120230;MM120230;NCC1=CC(O)CO1;IBAOCCAXPVIUAM-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120231;MM120231;OCC1=CC(O)CO1;GHQOPCNHEVVQOZ-UHFFFAOYSA-N;116.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120232;MM120232;OC1C=C(CF)OC1;DZIOKUIJQYALFR-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120233;MM120233;CCC1=CC(F)CO1;GIQRSGPRDHJLMR-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120234;MM120234;NCC1=CC(F)CO1;NCEFQGGMMJCRCX-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120235;MM120235;OCC1=CC(F)CO1;GIAWQPAJXGEBEY-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120236;MM120236;FCC1=CC(F)CO1;KFHTVRQTUBFLGX-UHFFFAOYSA-N;120.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120237;MM120237;CNC1=NC(C)CN1;ZFMMYXPDHGNXEN-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120238;MM120238;CC1CNC(NN)=N1;CIBLXTODNUIZIS-UHFFFAOYSA-N;114.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120239;MM120239;CC1CNC(NO)=N1;YNTCYXPFCUGYJS-UHFFFAOYSA-N;115.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120240;MM120240;CC1COC(NN)=N1;WLYOQGZTAGOESC-UHFFFAOYSA-N;115.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120241;MM120241;CC#CC(=O)NNC;HBWFMRKGHSNNQF-UHFFFAOYSA-N;112.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120242;MM120242;CCC1=NN(C)CC1;GNMAYOYBILAODI-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120243;MM120243;CC(O)C(=O)NC=N;URKZOSQVVXEYRW-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120244;MM120244;CN1CCC(CF)=N1;BUEKWCZHSCUFRO-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120245;MM120245;COC1=NN(C)CC1;SDGOGJVUGDSYOY-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120246;MM120246;C=CC1=CC(C)CC1;QRALPWRYBGNKOU-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120247;MM120247;CC1C=C(C=O)CC1;IESCSGMYFIICHV-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120248;MM120248;CC1C=C(C#N)CC1;OLUDGGPVCOGOHB-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120249;MM120249;C=CC1=CC(N)CC1;SMTCRNATBQPXDY-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120250;MM120250;C=CC(C)=CC=NO;BJLKAJDHRVPBLY-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120251;MM120251;O=CC1=CC(O)CC1;IBLWVJYOYHLACX-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120252;MM120252;N#CC1=CC(O)CC1;IYOLIXRFRLZZCC-UHFFFAOYSA-N;109.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120253;MM120253;C=CC1=CC(F)CC1;MAUWRLMGUCBIRN-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120254;MM120254;O=CC1=CC(F)CC1;OVAZNSXKAUMJTL-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120255;MM120255;N#CC1=CC(F)CC1;NSIYSXIRKVYNFJ-UHFFFAOYSA-N;111.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120256;MM120256;C=CC1=CC(C)NC1;ZWORHLJTLYQIMS-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120257;MM120257;CC1C=C(C=O)CN1;WAWHHBMBBDLIKE-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120258;MM120258;C=CC1=CC(C)OC1;YTDSFQGVUDTJND-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120259;MM120259;CC1C=C(C=O)CO1;YBHXQPQUNOMAFR-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120260;MM120260;CC1C=C(C#N)CO1;GUGQMNMDZWIRLU-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120261;MM120261;C=CC1=CC(C)CO1;NCKSCLGCCRKOAJ-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120262;MM120262;CC1C=C(C=O)OC1;JUBZGCORHHHVEA-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120263;MM120263;CC1C=C(C#N)OC1;YTNMMRYHHIIXFB-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120264;MM120264;C=CC1=CC(N)CO1;XGELAJWXSDNCGA-UHFFFAOYSA-N;111.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120265;MM120265;C=CC1=CC(O)CO1;JCJPRSCNRKMZBI-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120266;MM120266;O=CC1=CC(O)CO1;AXEPHTWQRAZZTR-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120267;MM120267;N#CC1=CC(O)CO1;IIWRPTZBTWZBAN-UHFFFAOYSA-N;111.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120268;MM120268;C=CC1=CC(F)CO1;QMJVRRQXPYNGJN-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120269;MM120269;O=CC1=CC(F)CO1;GXUVDABOCBTZSH-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120270;MM120270;N#CC1=CC(F)CO1;DPCMEXOKZSDEHF-UHFFFAOYSA-N;113.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120271;MM120271;CN1C=C(C=O)CC1;SNXPTAXKIUIQLA-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120272;MM120272;CN1C=C(C#N)CC1;SLGOHFZYBVPJBT-UHFFFAOYSA-N;108.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120273;MM120273;C=CC1=NN(C)CC1;YOHQAWDXZPLWQE-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120274;MM120274;CN1CCC(C=O)=N1;DIGFCPYTTVHWHU-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120275;MM120275;CN1CCC(C#N)=N1;GGUJLFWRAXFTCX-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120276;MM120276;C#CC1=CC(C)CC1;PQMVWEBGSWIFJV-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120277;MM120277;C#CC1=CC(N)CC1;HGSQJBBYICZMPP-UHFFFAOYSA-N;107.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120278;MM120278;CNNC(=O)NC(C)=O;FDMARHLPFHXEQD-UHFFFAOYSA-N;131.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120279;MM120279;C#CC1=CC(F)CC1;VSSFGRNJKVBGST-UHFFFAOYSA-N;110.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120280;MM120280;C#CC1=CC(C)NC1;NHNDZAKERWRLJC-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120281;MM120281;C#CC1=CC(C)OC1;PAVCCSLQNVEETO-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120282;MM120282;C#CC1=CC(C)CO1;SKAOGAXDIRLYIZ-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120283;MM120283;C#CC1=CC(N)CO1;OOUORGRFZVEROM-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120284;MM120284;C#CC1=CC(O)CO1;BZMAJZCEVZVORA-UHFFFAOYSA-N;110.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120285;MM120285;C#CC1=CC(F)CO1;GHCPVNOYNHXLTO-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120286;MM120286;C#CC1=NN(C)CC1;YXJRUVAYBQJKSC-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120287;MM120287;C=C1C=C(CC)CC1;FCIOMHQZMCQUJK-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120288;MM120288;C=C1C=C(CN)CC1;DLVIKHORQCCNDX-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120289;MM120289;N=CNC(=O)C#CCF;VKYBGHFAPVCHJE-UHFFFAOYSA-N;128.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120290;MM120290;C=C1C=C(CF)CC1;MYTBQWOPDIMBHT-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120291;MM120291;CCC1=CC(=O)CC1;XHAHAEVXYYITIQ-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120292;MM120292;O=C1C=C(CO)CC1;OPIYXVSOCQPLBB-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120293;MM120293;O=C1C=C(CF)CC1;LVYHEDUVOXKREP-UHFFFAOYSA-N;114.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120294;MM120294;CNC1=CC(=O)CC1;TUVYBGJPCZHJTM-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120295;MM120295;C=C1C=C(OC)CC1;GYKKMGMPLLWXAJ-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120296;MM120296;COC1=CC(=O)CC1;DTWCFCILAJVNPE-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120297;MM120297;CCC1=CC(=N)NC1;QWFFYZHXKJTGHX-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120298;MM120298;N=C1C=C(CN)CN1;UPLBYACJKNFUNB-UHFFFAOYSA-N;111.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120299;MM120299;N=C1C=C(CO)CN1;KKFQJOISTJDQGV-UHFFFAOYSA-N;112.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120300;MM120300;N=C1C=C(CF)CN1;IDGMMXLMKNQKGI-UHFFFAOYSA-N;114.12;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120301;MM120301;CCC1=CC(=O)NC1;FGKDKXXYUIGVHF-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120302;MM120302;NCC1=CC(=O)NC1;PQRQANMFTAQAMW-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120303;MM120303;O=C1C=C(CO)CN1;IXWMNHKNLOYAOT-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120304;MM120304;CNC1=CC(=N)NC1;RLFIWSALMFNCEP-UHFFFAOYSA-N;111.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120305;MM120305;CNC1=CC(=O)NC1;VAYKUOQEDOATGI-UHFFFAOYSA-N;112.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120306;MM120306;COC1=CC(=N)NC1;KSVYPDBNTLGKAQ-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120307;MM120307;COC1=CC(=O)NC1;TXKQBYYDTLOLHA-UHFFFAOYSA-N;113.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120308;MM120308;C=C1C=C(CC)CO1;IBNUNYZRVKPSID-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120309;MM120309;C=C1C=C(CN)CO1;PSPWXCPQKLSYCR-UHFFFAOYSA-N;111.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120310;MM120310;C=C1C=C(CO)CO1;HOASFPGXGBZTCU-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120311;MM120311;C=C1C=C(CF)CO1;LZFAEUOIVWCXDJ-UHFFFAOYSA-N;114.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120312;MM120312;Nn1cnc(=O)n1O;MKHWAZXNVAGUBX-UHFFFAOYSA-N;116.08;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120313;MM120313;N=c1cnc(=O)n(O)n1N;GYDRZPVZFILPSS-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120314;MM120314;CNC1=CC(=O)OC1;RMSSLCSOZKTRDB-UHFFFAOYSA-N;113.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120315;MM120315;C=C1C=C(OC)CO1;JMRDJMVRNHZJJA-UHFFFAOYSA-N;112.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120316;MM120316;COC1=CC(=O)OC1;VOYDEHILKLSVNN-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120317;MM120317;CCc1cc(O)c[nH]1;WUOXACWQZVNHCR-UHFFFAOYSA-N;111.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120318;MM120318;OCc1cc(O)c[nH]1;SNDHRQHFPMPOKO-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120319;MM120319;Oc1c[nH]c(CF)c1;ZUBZSPDGZLALJJ-UHFFFAOYSA-N;115.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120320;MM120320;CNc1cc(O)c[nH]1;XPJXNLSVTHBAAS-UHFFFAOYSA-N;112.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120321;MM120321;COc1cc(O)c[nH]1;ZLDIBCHUFZRYKZ-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120322;MM120322;C=C(C)C(C)=CC=NO;QQKQFIVDESFNDD-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120323;MM120323;NCc1cc(N)n[nH]1;RBRHGIKDXINFLY-UHFFFAOYSA-N;112.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120324;MM120324;C=Cc1nc(=O)n(O)n1N;WNLKSSPOSYLBCT-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120325;MM120325;Cc1c(F)n(C)c(=O)n1O;OBKRTBLFHXQJRU-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120326;MM120326;O=CC(=O)CNC=NO;ANFJHCZLLPBIRV-UHFFFAOYSA-N;130.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120327;MM120327;CNc1cc(=O)[nH][nH]1;AQRLRFVBIGTGCK-UHFFFAOYSA-N;113.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120328;MM120328;COC(C)C(=O)NC=N;JEUHOMOVQPCJOB-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120329;MM120329;Cc1c(O)c(O)c(F)n1O;KWKYJNSJMNPMMX-UHFFFAOYSA-N;147.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120330;MM120330;CNc1cc(=O)o[nH]1;GHYHVXKBGFEBHY-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120331;MM120331;C=C1C=C(CC)OC1;ADNOSBJQTFGAPB-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120332;MM120332;C=C1C=C(CN)OC1;OFFFQDJNUNSMBO-UHFFFAOYSA-N;111.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120333;MM120333;C=C1C=C(CO)OC1;AQAKMPFTDZGXQI-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120334;MM120334;C=C1C=C(CF)OC1;NRVLUEXZNVNXKH-UHFFFAOYSA-N;114.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120335;MM120335;CN(C=O)C(=O)NC=N;BQYQFPIRCYBUJP-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120336;MM120336;Nc1cc(CO)on1;PBNDXDHAYHDDHX-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120337;MM120337;C#Cc1cn(O)c(C)n1;XHGVHJUIIGOYPV-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120338;MM120338;C=Cc1nc(=O)n(O)n1C;OVLJVTRNXISVNY-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120339;MM120339;O=c1cc2[nH]occ-2n1O;SQMAHKRFBFEHPC-UHFFFAOYSA-N;140.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120340;MM120340;Nc1[nH]c(=O)c(=O)[nH]c1O;VNRXNJUXAWOKDW-UHFFFAOYSA-N;143.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120341;MM120341;CC#CC1=NNC(=N)C1;OBNCASCSSYHHLD-UHFFFAOYSA-N;121.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120342;MM120342;ON=c1on(O)c(F)c1F;IQPZJQSQCDEBMB-UHFFFAOYSA-N;152.06;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120343;MM120343;C=CC(CC=CC)=NO;YWBBQOCOZBHMPI-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120344;MM120344;Cc1ccn(O)c(=O)n1;WJWUTENCARGWSL-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120345;MM120345;CNC1=NC(=N)CN1;BJRDIPKPAZEIKK-UHFFFAOYSA-N;112.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120346;MM120346;N=C1CNC(NN)=N1;PVYVKUMALDEJND-UHFFFAOYSA-N;113.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120347;MM120347;O=C1CNC(NO)=N1;OWGXUZWUFXLJTM-UHFFFAOYSA-N;115.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120348;MM120348;CCc1ccc(N=O)[nH]1;PHLKDBFPKNOHEM-UHFFFAOYSA-N;124.14;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120349;MM120349;COC1=NC(=O)CN1;GVBXKICVZMVYKS-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120350;MM120350;CNc1nc(=N)o[nH]1;ZOBGCVQACJESEY-UHFFFAOYSA-N;114.11;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120351;MM120351;CNc1nc(=O)o[nH]1;YPWMROFEJVGRLM-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120352;MM120352;C#Cc1cc(O)c(F)o1;LZOOSJLMLMMIOK-UHFFFAOYSA-N;126.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120353;MM120353;N#CCc1cc(O)c(F)o1;OZTLQHZMKVAKKZ-UHFFFAOYSA-N;141.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120354;MM120354;CNc1nc(C=O)c[nH]1;CDXMZCDJLSQDQK-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120355;MM120355;CC(C=CN1CC1)=NO;PZCFZWRSUSLVAY-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120356;MM120356;C=CC=CC(=N)NC(N)=O;JPFZNMSIAOCXLS-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120357;MM120357;C=CC1=CC(=C)CC1;WVDDZDDLGGILAB-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120358;MM120358;C=C1C=C(C=O)CC1;XWGVIZANUWXOBJ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120359;MM120359;C=C1C=C(C#N)CC1;KLBUJSWWDBWMDK-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120360;MM120360;C=CC1=CC(=O)CC1;FJFXCEZZRAHUJT-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120361;MM120361;O=CC1=CC(=O)CC1;DOSLHYYFQCKPGQ-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120362;MM120362;N#CC1=CC(=O)CC1;FPQQNWAYKBBBLC-UHFFFAOYSA-N;107.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120363;MM120363;C=CC1=CC(=N)NC1;BVMONGISOJYQJY-UHFFFAOYSA-N;108.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120364;MM120364;N=C1C=C(C=O)CN1;GAJPTOUDGLXZEW-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120365;MM120365;N#CC1=CC(=N)NC1;MYBNQJAWADHOQQ-UHFFFAOYSA-N;107.12;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120366;MM120366;C=CC1=CC(=O)NC1;SBCYFWIMXDJRGX-UHFFFAOYSA-N;109.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120367;MM120367;CC#Cc1cc(O)c(F)o1;PBAUWJQQRMDVIY-UHFFFAOYSA-N;140.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120368;MM120368;Cc1c(O)oc(F)c1O;VIHYQZSGFURDKR-UHFFFAOYSA-N;132.09;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120369;MM120369;C=CC1=CC(=C)OC1;RWYODWFMVVNKFQ-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120370;MM120370;C=C1C=C(C=O)CO1;ZSRMALXSGBLRLI-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120371;MM120371;C=C1C=C(C#N)CO1;HGSLFLHAXAXTOW-UHFFFAOYSA-N;107.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120372;MM120372;C=CC1=CC(=O)OC1;FBDJKCAXZHOMPV-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120373;MM120373;Cc1c(O)coc1F;PKRZURMUNPHSFA-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120374;MM120374;Cc1ncc(=O)n(C)c1O;PYZCIWTXXPMMTP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120375;MM120375;C=Cc1cc(O)c[nH]1;WKVQMXZONRLJDY-UHFFFAOYSA-N;109.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120376;MM120376;NC(=O)C#CC(C=O)=NO;RXKXSDQGJUHFJN-UHFFFAOYSA-N;140.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120377;MM120377;CC#Cc1nc(C)c(O)o1;DUBZOKBLZWOUCE-UHFFFAOYSA-N;137.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120378;MM120378;C#CC(C)=CC(C#N)=NO;IJEXAUGVSNUPEB-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120379;MM120379;Nn1nncc(O)c1=NO;AFBOOBQZQCJGQE-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120380;MM120380;N=c1[nH]c(=NO)on1C=O;VHLMSLXDTXYKCQ-UHFFFAOYSA-N;144.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120381;MM120381;C=CC1=CC(=C)CO1;WGFJQEIFZJJGBC-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120382;MM120382;C=C1C=C(C=O)OC1;AENRWSWIVQASGI-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120383;MM120383;C=C1C=C(C#N)OC1;DTODMYYASVGILV-UHFFFAOYSA-N;107.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120384;MM120384;Nc1c(O)cnn1O;MJJOHUIKWKHURB-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120385;MM120385;CC(C)CC(N)=CC=NO;OSIOGEUGVUFJKT-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120386;MM120386;CC(F)C#CC(=O)NC=N;CPGPOBLPTPGQNF-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120387;MM120387;CNC(=O)NC(=N)CC=O;KHBIEMBEGHBBHM-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120388;MM120388;OCc1cc(O)n[nH]1;UAVGIEIWZYNZML-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120389;MM120389;CC#Cc1cc(O)n[nH]1;UCSSJHBXOFCWPK-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120390;MM120390;N=c1c(F)c(O)cnn1N;NJEJYCOOFTVUTQ-UHFFFAOYSA-N;144.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120391;MM120391;C#CC1=CC(=C)CC1;QTFKZMONSFXILN-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120392;MM120392;C#CC1=CC(=O)CC1;OSURMJHYAYHVBX-UHFFFAOYSA-N;106.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120393;MM120393;C#CC1=CC(=N)NC1;CAQUOWOVLFLCHS-UHFFFAOYSA-N;106.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120394;MM120394;C#CC1=CC(=O)NC1;JUIUZYITVGUHKQ-UHFFFAOYSA-N;107.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120395;MM120395;C#CC1=CC(=C)OC1;RPKOVHKNINTKKV-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120396;MM120396;C#CC1=CC(=O)OC1;LGTDUKTYXDCBBD-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120397;MM120397;C#Cc1cc(O)c[nH]1;NYBYFCGYGUMYOJ-UHFFFAOYSA-N;107.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120398;MM120398;COc1ncc(F)[nH]1;WAEMWJINQYJZOJ-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120399;MM120399;C#CC1=CC(=C)CO1;MRROFFIJZHNEMY-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120400;MM120400;NN(C=NO)CC(O)CO;SMKOLYKCEDFXEC-UHFFFAOYSA-N;149.15;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120401;MM120401;Cc1nn(C)c(C)c1O;HAJMFBQNIMHGFE-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120402;MM120402;CCC1=CC(C)C=C1;NKSSSLBPZQTMFP-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120403;MM120403;CC1C=CC(CN)=C1;BULKVFAUADJATH-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120404;MM120404;CC1C=CC(CO)=C1;LIZYTZXUZXDADM-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120405;MM120405;CC1C=CC(CF)=C1;NLQGHYUFTIYMLZ-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120406;MM120406;CCC1=CC(N)C=C1;GLNVJGRKHFXCPE-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120407;MM120407;NCC1=CC(N)C=C1;FHNHECWBJDDNTK-UHFFFAOYSA-N;110.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120408;MM120408;NC1C=CC(CO)=C1;XGUZUIDHQAIZPL-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120409;MM120409;NC1C=CC(CF)=C1;GUUSMNRFQVPWBR-UHFFFAOYSA-N;113.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120410;MM120410;CCC1=CC(O)C=C1;DPEXWLZXAFNAOO-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120411;MM120411;NCC1=CC(O)C=C1;VYXPRPYMEHQYTR-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120412;MM120412;OCC1=CC(O)C=C1;RPJNHSBFHLVGGM-UHFFFAOYSA-N;112.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120413;MM120413;OC1C=CC(CF)=C1;BZPDAZVCLJOSPD-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120414;MM120414;CCC1=CC(F)C=C1;AUJCYFPCZCSZTC-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120415;MM120415;NCC1=CC(F)C=C1;JUFCBXTUQJEOQC-UHFFFAOYSA-N;113.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120416;MM120416;OCC1=CC(F)C=C1;ORZJNTXHAIHMJC-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120417;MM120417;FCC1=CC(F)C=C1;CFTAJFCOVZGLAR-UHFFFAOYSA-N;116.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120418;MM120418;COC1=CC(C)C=C1;GNKWEMNSRCVPEV-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120419;MM120419;COC1=CC(N)C=C1;KCSGPXHMOKUXFB-UHFFFAOYSA-N;111.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120420;MM120420;COC1=CC(O)C=C1;BVPOGCFCQYZTRF-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120421;MM120421;COC1=CC(F)C=C1;HMQDLJGRKZNJLP-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120422;MM120422;CCC(=O)NC(=N)C=CN;SPXAWFRDLXMOEH-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120423;MM120423;CCc1ccn(C)c1;ZLQZKKYPEFVWNX-UHFFFAOYSA-N;109.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120424;MM120424;Cn1ccc(CN)c1;ZAOLDHBNVDOBDU-UHFFFAOYSA-N;110.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120425;MM120425;Cn1ccc(CO)c1;GAWOWMPYDQEGOT-UHFFFAOYSA-N;111.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120426;MM120426;Cn1ccc(CF)c1;OBQJVEFIYDGFJM-UHFFFAOYSA-N;113.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120427;MM120427;CCc1ccn(N)c1;GRTYBNNHPBXKEX-UHFFFAOYSA-N;110.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120428;MM120428;C#CC(N)C(=O)NC(N)=O;ILEUCJOOYLLBRB-UHFFFAOYSA-N;141.13;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120429;MM120429;Nn1ccc(CF)c1;ZBQGZICTQFYFAH-UHFFFAOYSA-N;114.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120430;MM120430;CCc1ccn(O)c1;PEDHLIXUQVDLNG-UHFFFAOYSA-N;111.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120431;MM120431;NCc1ccn(O)c1;SYLWDMNCBYWXNJ-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120432;MM120432;OCc1ccn(O)c1;FDUSDOKTQNISED-UHFFFAOYSA-N;113.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120433;MM120433;On1ccc(CF)c1;OAHPCKCWYVMESM-UHFFFAOYSA-N;115.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120434;MM120434;CNc1ccn(C)c1;GCJSRAAICZJANB-UHFFFAOYSA-N;110.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120435;MM120435;CNc1ccn(N)c1;AYFCNVXSEMHLFG-UHFFFAOYSA-N;111.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120436;MM120436;CC=NOCC(=O)NC=N;VCDVEJHHHRZADL-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120437;MM120437;COc1ccn(C)c1;OXEBDAHOARLIIG-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120438;MM120438;COc1ccn(N)c1;BLXISTWJZKGDBF-UHFFFAOYSA-N;112.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120439;MM120439;COc1ccn(O)c1;OWPORSYKGUGVRH-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120440;MM120440;CCc1cnn(C)c1;UJGITZCPMNZJMH-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120441;MM120441;Cn1cc(CN)cn1;KFTRXTSNTQSGNE-UHFFFAOYSA-N;111.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120442;MM120442;CCOC(C)C(=O)NC=N;XBULRSGOCFAFAL-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120443;MM120443;Cn1cc(CF)cn1;CSDKYWUHDYTARS-UHFFFAOYSA-N;114.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120444;MM120444;CCc1cnn(N)c1;FAMOIWJPPAOCMM-UHFFFAOYSA-N;111.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120445;MM120445;NN=CNNC(=O)C(N)=O;ADFIKHCCCCZENH-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120446;MM120446;Nn1cc(CF)cn1;GPFJVNUXLLBPLR-UHFFFAOYSA-N;115.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120447;MM120447;CCc1cnn(O)c1;AIFKXJINKGIRDV-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120448;MM120448;OCc1cnn(O)c1;PUQCJXXLYBXALM-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120449;MM120449;On1cc(CF)cn1;JKYBEWPMRBMKHQ-UHFFFAOYSA-N;116.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120450;MM120450;CNc1cnn(C)c1;VUVUCWXFEBDWEO-UHFFFAOYSA-N;111.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120451;MM120451;CNc1cnn(N)c1;WGHSPJCYGNFBOK-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120452;MM120452;CNc1cnn(O)c1;FIRCRKXMKITKOG-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120453;MM120453;COc1cnn(C)c1;PMCGMKDQOXUILW-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120454;MM120454;COc1cnn(N)c1;RUWWQLZCYTYYST-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120455;MM120455;COc1cnn(O)c1;QRMNBCZRKVOBQE-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120456;MM120456;CCc1cn(C)cn1;QEFLNYXPYKZGEX-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120457;MM120457;CC#CC1=NN(C)C(=N)C1;BAOFSFYEMKDKHK-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120458;MM120458;Cn1cnc(CF)c1;IWFYTSLSTUUDMT-UHFFFAOYSA-N;114.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120459;MM120459;CCc1cn(N)cn1;PLPRELRMXRHFAA-UHFFFAOYSA-N;111.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120460;MM120460;CN=CNC(=O)NCC#N;AAFJQBZZBUAIAA-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120461;MM120461;Nn1cnc(CF)c1;QMEHZHMCFZDCNT-UHFFFAOYSA-N;115.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120462;MM120462;CN=CNC(=O)N(C)C=N;MKLCTFWLRAEIDX-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120463;MM120463;OCc1cn(O)cn1;ORJXXHNCHIGBBM-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120464;MM120464;On1cnc(CF)c1;KCLVBTSHLVZAHS-UHFFFAOYSA-N;116.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120465;MM120465;CNc1cn(C)cn1;KMTBOCZUESHWNF-UHFFFAOYSA-N;111.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120466;MM120466;CNc1cn(N)cn1;SPGMHENBAYAMSI-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120467;MM120467;CNNC(=NO)N(O)C=N;WIPJFSSRCOFDPW-UHFFFAOYSA-N;147.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120468;MM120468;COc1cn(C)cn1;LPDDIVRSCAXDIN-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120469;MM120469;COc1cn(N)cn1;XCOOFUFJZIDSOM-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120470;MM120470;COc1cn(O)cn1;QNGNBROFQIHYHP-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120471;MM120471;CCc1cn(C)nn1;PVCOAGFWVDOSMB-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120472;MM120472;Cn1cc(CO)nn1;XKKMMJLWDOKNEW-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120473;MM120473;Cn1cc(CF)nn1;BRQQSWJUAFYWLR-UHFFFAOYSA-N;115.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120474;MM120474;CCc1cn(N)nn1;SMTGVJNPFRLURH-UHFFFAOYSA-N;112.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120475;MM120475;C=NNC(=NO)C(C)=CC;JRWBGZCCDYJUKQ-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120476;MM120476;Nn1cc(CF)nn1;QMFHGHGWGOYTJV-UHFFFAOYSA-N;116.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120477;MM120477;CONC(=NO)NC=CF;VMIKBJGRPHHWGO-UHFFFAOYSA-N;149.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120478;MM120478;CCCc1c[nH]c(C=O)n1;WBWORXQXSBHFRA-UHFFFAOYSA-N;138.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120479;MM120479;CNc1cn(O)nn1;KJLRANYRWKZGLT-UHFFFAOYSA-N;114.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120480;MM120480;COc1cn(C)nn1;YGHADTPVVJNOFH-UHFFFAOYSA-N;113.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120481;MM120481;COc1cn(N)nn1;SYTDHAOJSKZCSH-UHFFFAOYSA-N;114.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120482;MM120482;CCc1ccn(C)n1;ZAXITHHHFYZUGN-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120483;MM120483;CN=CN=CNNC=NO;BOQJZWWYYQYQTB-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120484;MM120484;Cn1ccc(CF)n1;GCYVEANVVMXSHX-UHFFFAOYSA-N;114.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120485;MM120485;CCc1ccn(N)n1;SJOHCNSTNVRWHD-UHFFFAOYSA-N;111.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120486;MM120486;OCC=CCC=CC=NO;PPMRASBUZXFPSV-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120487;MM120487;Nn1ccc(CF)n1;MQNSRVZSOQBXFC-UHFFFAOYSA-N;115.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120488;MM120488;CCc1ccn(O)n1;GYJVGFJBFJTTAD-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120489;MM120489;OCc1ccn(O)n1;DGEROUQUSVBGRV-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120490;MM120490;On1ccc(CF)n1;PDLDKYVNBLLFMR-UHFFFAOYSA-N;116.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120491;MM120491;COc1ccn(C)n1;NSLWGDABVLNWBH-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120492;MM120492;COc1ccn(N)n1;BKKIMKNTJBZHHT-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120493;MM120493;COc1ccn(O)n1;XSTSFARRVSXDCP-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120494;MM120494;CCc1cnn(C)n1;LJFJXKXOGRYVLJ-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120495;MM120495;Cn1ncc(CO)n1;RTCYUGLJCAPLPD-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120496;MM120496;Cn1ncc(CF)n1;VLBHBERRNZKWHM-UHFFFAOYSA-N;115.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120497;MM120497;COc1cnn(C)n1;SXFZPCXWFRABSN-UHFFFAOYSA-N;113.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120498;MM120498;CCc1ncn(C)n1;UJLCUCVCZQGHBU-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120499;MM120499;Cn1cnc(CO)n1;WEDYTSQNYJKOPC-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120500;MM120500;Cn1cnc(CF)n1;OIHZYVDXRANSRN-UHFFFAOYSA-N;115.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120501;MM120501;CCc1ncn(N)n1;RCFXUGGLIROMOI-UHFFFAOYSA-N;112.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120502;MM120502;N#CCC=NNCC1CC1;ROQGHPOKORQARS-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120503;MM120503;Nn1cnc(CF)n1;UJJLKZFCGAHXHH-UHFFFAOYSA-N;116.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120504;MM120504;C=C1NC(NO)=NC1=O;YEJKVZHZQASBIZ-UHFFFAOYSA-N;127.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120505;MM120505;CN1CCC(=N)NC1=O;RJJBUZDUYVHCRD-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120506;MM120506;COc1ncn(C)n1;ACKDIBSCTPBCRK-UHFFFAOYSA-N;113.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120507;MM120507;COc1ncn(N)n1;MIHWBNGMGIKKNB-UHFFFAOYSA-N;114.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120508;MM120508;CCc1nnn(C)n1;KQZVZSLSSZSTTE-UHFFFAOYSA-N;112.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120509;MM120509;Cn1nnc(CO)n1;XUJXRLKUQPFUOU-UHFFFAOYSA-N;114.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120510;MM120510;Cn1nnc(CF)n1;WKEACYAKGIZREY-UHFFFAOYSA-N;116.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120511;MM120511;CNc1nnn(C)n1;QKCLDBIRKLLWHT-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120512;MM120512;COc1nnn(C)n1;YHDQVDIPDDKAAK-UHFFFAOYSA-N;114.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120513;MM120513;C=CC1=CC(C)C=C1;QLBKLWMYBJXBSL-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120514;MM120514;CC1C=CC(C=O)=C1;CNTGHLPWWWARJU-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120515;MM120515;CC1C=CC(C#N)=C1;HTPAMTZGYLYHHS-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120516;MM120516;C=CC1=CC(N)C=C1;SBFWDCXPZJJLRC-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120517;MM120517;C=CC1=CC(O)C=C1;ZUFZUZREDOFBAX-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120518;MM120518;O=CC1=CC(O)C=C1;AXTGQSOZQXESNY-UHFFFAOYSA-N;110.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120519;MM120519;N#CC1=CC(O)C=C1;RFVIYDOKCZCCCD-UHFFFAOYSA-N;107.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120520;MM120520;C=CC1=CC(F)C=C1;XTKBQNKSOGQHHD-UHFFFAOYSA-N;110.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120521;MM120521;O=CC1=CC(F)C=C1;WBSXRYLKVLONBO-UHFFFAOYSA-N;112.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120522;MM120522;N#CC1=CC(F)C=C1;IIYMNHZEGCKFAR-UHFFFAOYSA-N;109.1;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120523;MM120523;C=Cc1ccn(C)c1;QKXVYVSLNSPSSO-UHFFFAOYSA-N;107.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120524;MM120524;Cn1ccc(C=O)c1;OXADKJPOZQYWIG-UHFFFAOYSA-N;109.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120525;MM120525;Cn1ccc(C#N)c1;VZSLEHOZJCZYJD-UHFFFAOYSA-N;106.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120526;MM120526;C=Cc1ccn(N)c1;ISOMVGVZKQSDIS-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120527;MM120527;C=Cc1ccn(O)c1;ZVEXCXJOTNCQBR-UHFFFAOYSA-N;109.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120528;MM120528;O=Cc1ccn(O)c1;HLFSPGSIBCUZBB-UHFFFAOYSA-N;111.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120529;MM120529;N#Cc1ccn(O)c1;JZNQAJOETUOJTR-UHFFFAOYSA-N;108.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120530;MM120530;C=Cc1cnn(C)c1;NRUZFGSVBJNUEO-UHFFFAOYSA-N;108.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120531;MM120531;Cn1cc(C=O)cn1;MYFZXSOYJVWTBL-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120532;MM120532;Cn1cc(C#N)cn1;NIBQNKBEGIMBSV-UHFFFAOYSA-N;107.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120533;MM120533;C=Cc1cnn(N)c1;RZKPKHOUTAWCOM-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120534;MM120534;C=Cc1cnn(O)c1;MEYOKMRZTXWCGE-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120535;MM120535;C=Cc1cn(C)cn1;HMAHWEZVVBZFBR-UHFFFAOYSA-N;108.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120536;MM120536;Cn1cnc(C=O)c1;CQZXDIHVSPZIGF-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120537;MM120537;Cn1cnc(C#N)c1;LAKVILSENFFPRR-UHFFFAOYSA-N;107.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120538;MM120538;C=Cc1cn(N)cn1;XWSFZPBHRWLGAS-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120539;MM120539;NN1CCC(=O)NC1=O;NBLGFDMSRJJOSR-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120540;MM120540;O=Cc1cn(O)cn1;IEZYPMRFJUOTGJ-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120541;MM120541;N#Cc1cn(O)cn1;BJFKIGBGMXRPBQ-UHFFFAOYSA-N;109.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120542;MM120542;C=Cc1cn(C)nn1;IBQZWWOXGSTKGP-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120543;MM120543;Cn1cc(C=O)nn1;FRJSHBUKQSGJNG-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120544;MM120544;Cn1cc(C#N)nn1;CTUSCHMWIYXOOL-UHFFFAOYSA-N;108.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120545;MM120545;C=Cc1cn(N)nn1;YAMGVBYOFFLQNG-UHFFFAOYSA-N;110.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120546;MM120546;C=Cc1ccn(C)n1;WPRZWOWXBPBJDN-UHFFFAOYSA-N;108.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120547;MM120547;Cn1ccc(C=O)n1;QUYJEYSRBCLJIZ-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120548;MM120548;Cn1ccc(C#N)n1;UOQLZFAAFSUXFE-UHFFFAOYSA-N;107.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120549;MM120549;C=Cc1ccn(N)n1;KPQLOMOVPLHCQD-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120550;MM120550;C=Cc1ccn(O)n1;GLIFCFQADVTYAG-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120551;MM120551;N#Cc1ccn(O)n1;DPOPJHBHSGUTOL-UHFFFAOYSA-N;109.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120552;MM120552;C=Cc1cnn(C)n1;JYMMNHIDLRFTEX-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120553;MM120553;Cn1ncc(C=O)n1;ADIHVKJNUPTHMC-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120554;MM120554;Cn1ncc(C#N)n1;QZIJSOBRNFLQFM-UHFFFAOYSA-N;108.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120555;MM120555;C=Cc1ncn(C)n1;YDAFYUHLHYZTLC-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120556;MM120556;Cn1cnc(C=O)n1;NLBSACQGJDXXNQ-UHFFFAOYSA-N;111.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120557;MM120557;Cn1cnc(C#N)n1;FLGDSZZTEJTGJH-UHFFFAOYSA-N;108.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120558;MM120558;C=Cc1ncn(N)n1;YANQOSLFAHLKMR-UHFFFAOYSA-N;110.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120559;MM120559;C=Cc1nnn(C)n1;BHRMHWAEINWAJS-UHFFFAOYSA-N;110.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120560;MM120560;Cn1nnc(C=O)n1;PPAQSZMPTHGKSE-UHFFFAOYSA-N;112.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120561;MM120561;Cn1nnc(C#N)n1;YJHCYACRUYYBSU-UHFFFAOYSA-N;109.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120562;MM120562;C#CC1=CC(C)C=C1;JKLHPTSWLFFSSH-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120563;MM120563;C#CC1=CC(N)C=C1;MYDSUDBGXAAZDR-UHFFFAOYSA-N;105.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120564;MM120564;C#CC1=CC(O)C=C1;SQAUPCFQNTVXGQ-UHFFFAOYSA-N;106.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120565;MM120565;C#CC1=CC(F)C=C1;GGDOFKGOCQEKKS-UHFFFAOYSA-N;108.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120566;MM120566;C#Cc1ccn(C)c1;YRRQLGAMKNQUIQ-UHFFFAOYSA-N;105.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120567;MM120567;C#Cc1ccn(N)c1;VVUWRFCSRAHYSR-UHFFFAOYSA-N;106.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120568;MM120568;C#Cc1ccn(O)c1;RTOVCLZVFQZNFT-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120569;MM120569;C#Cc1cnn(C)c1;RACKOVAPLUVOJA-UHFFFAOYSA-N;106.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120570;MM120570;C#Cc1cnn(N)c1;GXFNCEPQIXRUBQ-UHFFFAOYSA-N;107.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120571;MM120571;C#Cc1cnn(O)c1;XUPAKJJDKQDJNM-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120572;MM120572;C#Cc1cn(C)cn1;KHQAFOOAJHOTDD-UHFFFAOYSA-N;106.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120573;MM120573;C#Cc1cn(N)cn1;BRJPNNXOHWJPQF-UHFFFAOYSA-N;107.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120574;MM120574;C#Cc1cn(O)cn1;UHTVVOSXFULKPM-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120575;MM120575;C#Cc1cn(C)nn1;RMIXADCVSQAAMC-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120576;MM120576;C#Cc1cn(N)nn1;YNPFJBXDJTVACG-UHFFFAOYSA-N;108.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120577;MM120577;C#Cc1ccn(C)n1;GMCPKTQIHQISHX-UHFFFAOYSA-N;106.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120578;MM120578;C#Cc1ccn(N)n1;XXLXLNNKDPCWOW-UHFFFAOYSA-N;107.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120579;MM120579;C#Cc1ccn(O)n1;FPWHTLSZMNFBAV-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120580;MM120580;C#Cc1cnn(C)n1;MKBFPKBOKHMZKK-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120581;MM120581;C#Cc1ncn(C)n1;PQXFREVDIBUIIC-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120582;MM120582;C#Cc1ncn(N)n1;JVBPETFAVXSHTM-UHFFFAOYSA-N;108.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120583;MM120583;C#Cc1nnn(C)n1;WAMYSKPSDVJWSX-UHFFFAOYSA-N;108.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120584;MM120584;C=C1C=CC(CC)=C1;CMQUQYOUGKDKIQ-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120585;MM120585;C=C1C=CC(CN)=C1;WIOZLVKVLFQMOE-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120586;MM120586;C=C1C=CC(CO)=C1;RCRKYZILVOAKKD-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120587;MM120587;C=C1C=CC(CF)=C1;ITSSTUHHXFZJBR-UHFFFAOYSA-N;110.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120588;MM120588;CCC1=CC(=O)C=C1;NAKDEADORSIUSK-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120589;MM120589;O=C1C=CC(CO)=C1;XQGPXSDCEVJSOQ-UHFFFAOYSA-N;110.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120590;MM120590;O=C1C=CC(CF)=C1;ORWULCQSVXLCAT-UHFFFAOYSA-N;112.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120591;MM120591;CNC1=CC(=O)C=C1;LRRAFXVHHVNBQE-UHFFFAOYSA-N;109.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120592;MM120592;C=C1C=CC(OC)=C1;JJEKJXJWRXYUNJ-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120593;MM120593;COC1=CC(=O)C=C1;UYVQPWJTYQPTOO-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120594;MM120594;N=C1C=C(CN)C=N1;GHEFHOGQYZKTPZ-UHFFFAOYSA-N;109.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120595;MM120595;CC12CC1CC(=NO)N2;RWQGDZMPIVPFFE-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120596;MM120596;N=C1C=C(CF)C=N1;BYINOUDKBHTEMP-UHFFFAOYSA-N;112.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120597;MM120597;CCC1=CC(=O)N=C1;QSJCHQDSJFDFDZ-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120598;MM120598;NCC1=CC(=O)N=C1;IOSXBOOWEYLFCP-UHFFFAOYSA-N;110.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120599;MM120599;CNc1ncn(N)c1O;LYCOBSRSBMGRKL-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120600;MM120600;O=C1C=C(CF)C=N1;MFBVSFALGISGDC-UHFFFAOYSA-N;113.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120601;MM120601;CNC1=CC(=N)N=C1;CSFKVUVNHWVMFC-UHFFFAOYSA-N;109.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120602;MM120602;C=Cc1ncn(O)c1C;LCFLSEUIOJKBPY-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120603;MM120603;COC1=CC(=N)N=C1;QZDKTSAVCXSMNV-UHFFFAOYSA-N;110.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120604;MM120604;COC1=CC(=O)N=C1;AFLDNFIYGLXQQY-UHFFFAOYSA-N;111.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120605;MM120605;CC(C)(F)CN(N)C=NO;VYJXPTQYGWQFBP-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120606;MM120606;O=C1C=NC(CF)=C1;IIHFGFHYUZAKPP-UHFFFAOYSA-N;113.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120607;MM120607;CCNNC(=O)NC(C)=O;ACPAEASXNNHBLZ-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120608;MM120608;COC1=CC(=O)C=N1;VOABOYBIRZGYHA-UHFFFAOYSA-N;111.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120609;MM120609;N=C1C=CC(CN)=N1;XZJFAUJLXNJFHP-UHFFFAOYSA-N;109.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120610;MM120610;CCC=CC(=N)NC(N)=O;HBAVUWMFGZXAPX-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120611;MM120611;N=C1C=CC(CF)=N1;MTMJSVULDURDLW-UHFFFAOYSA-N;112.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120612;MM120612;CCC1=NC(=O)C=C1;YCLAXEJKVDCPCI-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120613;MM120613;NCC1=NC(=O)C=C1;XYXIOZSEECYRLL-UHFFFAOYSA-N;110.12;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120614;MM120614;O=C1C=CC(CO)=N1;UCYZMLOZNGRFAR-UHFFFAOYSA-N;111.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120615;MM120615;O=C1C=CC(CF)=N1;LKBCXPLAGDHXJN-UHFFFAOYSA-N;113.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120616;MM120616;COC1=NC(=N)C=C1;RZXPEIOCWOGGPI-UHFFFAOYSA-N;110.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120617;MM120617;COC1=NC(=O)C=C1;VKGHHDUOLNGJSR-UHFFFAOYSA-N;111.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120618;MM120618;CCC1=NC(=N)N=C1;WQDGPVIHPUMTBH-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120619;MM120619;C=C(F)C(O)C(=O)N(C)N;DABSVQSGOLOPHL-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120620;MM120620;N=C1N=CC(CF)=N1;VFQVMIBKOGCPRG-UHFFFAOYSA-N;113.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120621;MM120621;CCC1=NC(=O)N=C1;LFXXIVYDNXFGEJ-UHFFFAOYSA-N;110.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120622;MM120622;O=C1N=CC(CO)=N1;YDBVSLAMDXGMSJ-UHFFFAOYSA-N;112.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120623;MM120623;O=C1N=CC(CF)=N1;OKCRQIWLTSYXEF-UHFFFAOYSA-N;114.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120624;MM120624;COC1=NC(=N)N=C1;BYRQNRILCALDCS-UHFFFAOYSA-N;111.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120625;MM120625;COC1=NC(=O)N=C1;FCRUBHQHFUGHIH-UHFFFAOYSA-N;112.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120626;MM120626;CCC1=NC(=N)C=N1;VACKJPFYQSPRQT-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120627;MM120627;C#CCC(=O)NC(=N)CC;DHRWIGXJQHCTPY-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120628;MM120628;N=C1C=NC(CF)=N1;WRGCQEZMCKYNNR-UHFFFAOYSA-N;113.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120629;MM120629;CCC1=NC(=O)C=N1;ITMSJZVTOLTNKW-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120630;MM120630;O=C1C=NC(CO)=N1;RYPSOOWERKOTOA-UHFFFAOYSA-N;112.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120631;MM120631;O=C1C=NC(CF)=N1;NEKVRPLFYVCZJV-UHFFFAOYSA-N;114.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120632;MM120632;CC(C=O)C(=N)NC(N)=O;ZYFFPCFIEDOBAH-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120633;MM120633;CC(=NO)NC(CF)CF;XIDWKHKJRKPUMJ-UHFFFAOYSA-N;152.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120634;MM120634;CN=CN(N)C(=NO)NO;QRLQPUWTLKAXRN-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120635;MM120635;CC(=CCF)C(=NO)NN;MSJOHVICIZNSTR-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120636;MM120636;O=C1C=NC(NO)=N1;YIVVVCIFFLNTJM-UHFFFAOYSA-N;113.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120637;MM120637;COC1=NC(=N)C=N1;HGLIOLKAMPXTHY-UHFFFAOYSA-N;111.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120638;MM120638;COC1=NC(=O)C=N1;TXIODBWBAHIYRP-UHFFFAOYSA-N;112.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120639;MM120639;C=CC1=CC(=C)C=C1;VDHVPRORKYLZOW-UHFFFAOYSA-N;104.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120640;MM120640;C=C1C=CC(C=O)=C1;YYSRMRYVGYPKGW-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120641;MM120641;C=C1C=CC(C#N)=C1;QKQMSQANPOFFEF-UHFFFAOYSA-N;103.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120642;MM120642;C=CC1=CC(=O)C=C1;KOFGIWIHWKQOPB-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120643;MM120643;O=CC1=CC(=O)C=C1;OVANJMWMCUEVRV-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120644;MM120644;N#CC1=CC(=O)C=C1;BJJFOSQJPXHGOZ-UHFFFAOYSA-N;105.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120645;MM120645;C=CC1=CC(=N)N=C1;MQAYZAASYKNRKK-UHFFFAOYSA-N;106.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120646;MM120646;N=C1C=C(C=O)C=N1;JCTPGZCPVDVNQF-UHFFFAOYSA-N;108.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120647;MM120647;N#CC1=CC(=N)N=C1;QNOVYTYXCSZWQM-UHFFFAOYSA-N;105.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120648;MM120648;C=CC1=CC(=O)N=C1;ZGRJPSVDUANTGI-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120649;MM120649;O=CC1=CC(=O)N=C1;NDFYYAOXANMYLN-UHFFFAOYSA-N;109.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120650;MM120650;N#CC1=CC(=O)N=C1;HGNHTABLATUSOH-UHFFFAOYSA-N;106.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120651;MM120651;C=CC1=CC(=O)C=N1;TXLCHXIRSPATJJ-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120652;MM120652;O=CC1=CC(=O)C=N1;MFXQLLZCFRADGJ-UHFFFAOYSA-N;109.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120653;MM120653;N#CC1=CC(=O)C=N1;UCWLKZDYZGSERX-UHFFFAOYSA-N;106.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120654;MM120654;C=CC1=NC(=N)C=C1;XRBAZNWIELHAJM-UHFFFAOYSA-N;106.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120655;MM120655;N=C1C=CC(C=O)=N1;LCJJRXBYTKTHMB-UHFFFAOYSA-N;108.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120656;MM120656;N#CC1=NC(=N)C=C1;CCCAZESSMKOQIZ-UHFFFAOYSA-N;105.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120657;MM120657;C=CC1=NC(=O)C=C1;BSDFSEVGMLECEO-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120658;MM120658;O=CC1=NC(=O)C=C1;VKNLTQIRWBFENI-UHFFFAOYSA-N;109.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120659;MM120659;N#CC1=NC(=O)C=C1;KAILCJKTMVPHFO-UHFFFAOYSA-N;106.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120660;MM120660;C=CC1=NC(=N)N=C1;DLKDCRFDFNJLTK-UHFFFAOYSA-N;107.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120661;MM120661;N=C1N=CC(C=O)=N1;YBSHWPUXEKCMNA-UHFFFAOYSA-N;109.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120662;MM120662;N#CC1=NC(=N)N=C1;HPUQVULLPOWYGE-UHFFFAOYSA-N;106.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120663;MM120663;C=CC1=NC(=O)N=C1;DQFOJHRSEYCQNV-UHFFFAOYSA-N;108.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120664;MM120664;O=CC1=NC(=O)N=C1;UDDXALGECBVFJO-UHFFFAOYSA-N;110.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120665;MM120665;N#CC1=NC(=O)N=C1;CCPLXAXGRLCVLO-UHFFFAOYSA-N;107.07;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120666;MM120666;C=CC1=NC(=N)C=N1;BHQOVTAVHWVMNS-UHFFFAOYSA-N;107.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120667;MM120667;N=C1C=NC(C=O)=N1;HKGXQXATSHDNCD-UHFFFAOYSA-N;109.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120668;MM120668;N#CC1=NC(=N)C=N1;IALYKKSSVKKNOH-UHFFFAOYSA-N;106.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120669;MM120669;C=CC1=NC(=O)C=N1;IVNXSLPAMBTZDR-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120670;MM120670;O=CC1=NC(=O)C=N1;PJXJCCTXAFASCC-UHFFFAOYSA-N;110.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120671;MM120671;N#CC1=NC(=O)C=N1;CBDSFSMVRFCJDQ-UHFFFAOYSA-N;107.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120672;MM120672;C#CC1=CC(=C)C=C1;BHZVHJYTVHSFPH-UHFFFAOYSA-N;102.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120673;MM120673;C#CC1=CC(=O)C=C1;QTMRYKKJQRLNAJ-UHFFFAOYSA-N;104.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120674;MM120674;C#CC1=CC(=N)N=C1;UYOOBPVQMHVGMZ-UHFFFAOYSA-N;104.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120675;MM120675;C#CC1=CC(=O)N=C1;STJJOJBWCUHZKU-UHFFFAOYSA-N;105.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120676;MM120676;C#CC1=CC(=O)C=N1;GIZNQKARVLAXAA-UHFFFAOYSA-N;105.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120677;MM120677;C#CC1=NC(=N)C=C1;DPCIRPPHCFICES-UHFFFAOYSA-N;104.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120678;MM120678;C#CC1=NC(=O)C=C1;FWELYGIQQRRMHI-UHFFFAOYSA-N;105.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120679;MM120679;C#CC1=NC(=N)N=C1;NNAWIGCAOMKZJE-UHFFFAOYSA-N;105.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120680;MM120680;C#CC1=NC(=O)N=C1;YMPURJOFBJBKSI-UHFFFAOYSA-N;106.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120681;MM120681;C#CC1=NC(=N)C=N1;AYLBNYXVDDGPBG-UHFFFAOYSA-N;105.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120682;MM120682;C#CC1=NC(=O)C=N1;QVKAUTVYKIQWFE-UHFFFAOYSA-N;106.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120683;MM120683;CCC1=CC(C)=CC1;PTJXTWSQQDGHHY-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120684;MM120684;CC1=CCC(CN)=C1;AAHMSRZBBDWRPU-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120685;MM120685;CC1=CCC(CO)=C1;PGFGJRVEYCJTIH-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120686;MM120686;CC1=CCC(CF)=C1;YYMRUEXFHRXNDG-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120687;MM120687;CCC1=CC(F)=CC1;SKGJFGGVJJCFKS-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120688;MM120688;NCC1=CC(F)=CC1;IOVHPYUZAZBKNO-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120689;MM120689;OCC1=CC(F)=CC1;CZMZLCSVPASNOG-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120690;MM120690;FCC1=CC(F)=CC1;HMISQBBHSXTVMG-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120691;MM120691;COC1=CC(C)=CC1;PYCJZGXDCUBTIA-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120692;MM120692;COC1=CC(F)=CC1;NQKPMXBQSIBYOH-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120693;MM120693;CCc1cc(C)c[nH]1;GALBJULHRGPJEG-UHFFFAOYSA-N;109.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120694;MM120694;Cc1c[nH]c(CN)c1;JNYPEOKUWKPCST-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120695;MM120695;Cc1c[nH]c(CO)c1;AHPLAMGSCXMLFR-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120696;MM120696;Cc1c[nH]c(CF)c1;FZHYPQKKBYPTBH-UHFFFAOYSA-N;113.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120697;MM120697;C#CCC1CNC(=NO)C1;BTSCIOLKKCAVNR-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120698;MM120698;NCc1cc(N)c[nH]1;XHADXDYSWKASKD-UHFFFAOYSA-N;111.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120699;MM120699;C#CC=C1CNC(=NO)N1;LGXLDLAITWOXGN-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120700;MM120700;CCN=C1CC(CC)=NN1;OWARPCUTPOCVES-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120701;MM120701;CCc1cc(F)c[nH]1;JMUAROSKUHQNNZ-UHFFFAOYSA-N;113.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120702;MM120702;NCc1cc(F)c[nH]1;OILATYYLCVFDIS-UHFFFAOYSA-N;114.12;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120703;MM120703;OCc1cc(F)c[nH]1;XCZPLTLTBMTKBZ-UHFFFAOYSA-N;115.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120704;MM120704;FCc1cc(F)c[nH]1;IAHSZPHAZAZIEW-UHFFFAOYSA-N;117.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120705;MM120705;CC=CC1=NN=C(NN)C1;YWEPJNWDUKPUGR-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120706;MM120706;C#CC(C#N)C1NC1CO;MZJJBMUYTHMVGO-UHFFFAOYSA-N;136.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120707;MM120707;C=CC(=N)NC(N)=O;CFYSRJGOOUDQOD-UHFFFAOYSA-N;113.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120708;MM120708;COc1cc(C)c[nH]1;WDRMIIUPRSNXGZ-UHFFFAOYSA-N;111.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120709;MM120709;N=CNC(=O)C=NN;NBZVRMHNRQACND-UHFFFAOYSA-N;114.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120710;MM120710;COc1cc(F)c[nH]1;MJPBVYAUVNYFOI-UHFFFAOYSA-N;115.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120711;MM120711;CCc1cc(F)n[nH]1;VVNNUILIJZTXOC-UHFFFAOYSA-N;114.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120712;MM120712;FCc1cc(F)n[nH]1;ZGRRJIFYVTZWNW-UHFFFAOYSA-N;118.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120713;MM120713;CNc1cc(F)n[nH]1;BHSJQGTYKDVHAS-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120714;MM120714;COc1cc(F)n[nH]1;YZLOPULLPNMKQC-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120715;MM120715;CCc1cc(C)co1;ZRTCPDWNLQSTLW-UHFFFAOYSA-N;110.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120716;MM120716;Cc1coc(CO)c1;GFZPVRIBUPUXRP-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120717;MM120717;Cc1coc(CF)c1;OTOMSKAKDMAJFF-UHFFFAOYSA-N;114.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120718;MM120718;CCc1cc(N)co1;PTXNSZWPXCZXEI-UHFFFAOYSA-N;111.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120719;MM120719;Nc1coc(CO)c1;BUUSXFPOIQYQNJ-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120720;MM120720;Nc1coc(CF)c1;XWMTYIUEUOKEQO-UHFFFAOYSA-N;115.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120721;MM120721;CCc1cc(F)co1;STGXOZQTUZUFPP-UHFFFAOYSA-N;114.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120722;MM120722;OCc1cc(F)co1;UVTUHTQNNGCVPI-UHFFFAOYSA-N;116.09;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120723;MM120723;FCc1cc(F)co1;BQXSYRKCPRFQKI-UHFFFAOYSA-N;118.08;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120724;MM120724;CNc1cc(C)co1;WIEADYIWGQKUOP-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120725;MM120725;CNc1cc(N)co1;DGCPRAIYEPQSRB-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120726;MM120726;CNc1cc(F)co1;AAPOPMAMYKJOSH-UHFFFAOYSA-N;115.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120727;MM120727;COc1cc(C)co1;GHQCVSHQXVZDTQ-UHFFFAOYSA-N;112.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120728;MM120728;COc1cc(N)co1;UUPUDGCEZBPGHU-UHFFFAOYSA-N;113.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120729;MM120729;COc1cc(F)co1;JGQOCOHGSBFVQG-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120730;MM120730;CCc1cc(C)no1;UXRYUEYIWUWQIH-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120731;MM120731;Cc1cc(CO)on1;OFSDWHRZVRCPBR-UHFFFAOYSA-N;113.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120732;MM120732;Cc1cc(CF)on1;RFQWHULMEBCEJK-UHFFFAOYSA-N;115.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120733;MM120733;CCc1cc(F)no1;XBYCZNSZEIUJIU-UHFFFAOYSA-N;115.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120734;MM120734;OCc1cc(F)no1;YZVCMOOUAGQPPI-UHFFFAOYSA-N;117.08;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120735;MM120735;FCc1cc(F)no1;VTTPMMWKQJWRGN-UHFFFAOYSA-N;119.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120736;MM120736;CNc1cc(F)no1;GQJMJSRJTIVXAT-UHFFFAOYSA-N;116.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120737;MM120737;COc1cc(C)no1;YXGDEMGLRKFGSB-UHFFFAOYSA-N;113.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120738;MM120738;COc1cc(F)no1;QLQWNSSEUJIVMB-UHFFFAOYSA-N;117.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120739;MM120739;CCc1nc(O)c[nH]1;GYWBDJDNOBBXCS-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120740;MM120740;OCc1nc(O)c[nH]1;MEGGYOSSINNADZ-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120741;MM120741;OCc1nc(F)c[nH]1;HUIWMTUWSAMTTK-UHFFFAOYSA-N;116.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120742;MM120742;C#CC(=O)NNCC;TUSVUKSQFLTEJF-UHFFFAOYSA-N;112.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120743;MM120743;C=COCC(=O)NC=N;YGYLXGMFXQVIKZ-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120744;MM120744;N=CNC(=O)COC=O;SQZRVBRYMCNESG-UHFFFAOYSA-N;130.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120745;MM120745;N#CC=CC(=N)NC=O;ZHWYQMJWDLQNCB-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120746;MM120746;COc1nc(O)c[nH]1;IASIBRPZYGXSEG-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120747;MM120747;COc1nc(F)c[nH]1;WAEMWJINQYJZOJ-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120748;MM120748;CNN=CN(C)C=NO;REKJZQNCNLIWOR-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120749;MM120749;CC12CC1C(=N)NC2=O;MYOOEUKCIYZAGD-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120750;MM120750;COc1nc(N)n[nH]1;JUHWLXRDVSBGOO-UHFFFAOYSA-N;114.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120751;MM120751;CCc1nc(C)co1;SRXOCFLMVTXDRQ-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120752;MM120752;Cc1coc(CO)n1;JOAJHWQCCSKRCR-UHFFFAOYSA-N;113.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120753;MM120753;Cc1coc(CF)n1;GLJSZGJNXLBYAV-UHFFFAOYSA-N;115.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120754;MM120754;C=CC(=CC=NO)CC;LAMBFMWWEUZJFD-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120755;MM120755;Nc1coc(CO)n1;LJYYPZNKGIQISH-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120756;MM120756;CC(=O)NC(=N)C=CNO;SWAOLUUZKXBGMC-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120757;MM120757;CCc1nc(F)co1;QUIMDZHHEOWMQM-UHFFFAOYSA-N;115.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120758;MM120758;OCc1nc(F)co1;IWOIOSGDWXTXSQ-UHFFFAOYSA-N;117.08;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120759;MM120759;FCc1nc(F)co1;UZYWZASLHJGETH-UHFFFAOYSA-N;119.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120760;MM120760;C=C(C)OCC(=O)NC=N;LXJOAJRMHYRKNC-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120761;MM120761;CNC(=O)NC=NC(C)=N;BPGQFTMTXSXHFG-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120762;MM120762;CNc1nc(O)co1;WGXDKVLVAFEXFQ-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120763;MM120763;CNc1nc(F)co1;CWTGWZOJQHWCMI-UHFFFAOYSA-N;116.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120764;MM120764;COc1nc(C)co1;CNAOBZBPCSDWJR-UHFFFAOYSA-N;113.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120765;MM120765;C=CC(=N)NC(=O)CCO;TUILKESJVIPARB-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120766;MM120766;COc1nc(F)co1;WQVHVKJCRZILBU-UHFFFAOYSA-N;117.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120767;MM120767;CCc1nc(C)no1;VEOBELAUIVEIRB-UHFFFAOYSA-N;112.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120768;MM120768;Cc1noc(CO)n1;OQKJMIGPYYWVKU-UHFFFAOYSA-N;114.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120769;MM120769;Cc1noc(CF)n1;VAWDHKHIOSXECP-UHFFFAOYSA-N;116.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120770;MM120770;CCc1nc(N)no1;OMFADAFZDYXVOK-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120771;MM120771;Nc1noc(CO)n1;KOYRMYANCFOXEA-UHFFFAOYSA-N;115.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120772;MM120772;Nc1noc(CF)n1;ABLNWVMRGLUIGM-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120773;MM120773;Cn1ccc(=NO)nc1O;YCXWHDJWPFLJAB-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120774;MM120774;NN=c1[nH]cc(O)c(=O)o1;GAIVTTPCINNNEY-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120775;MM120775;NN=c1oc(F)c(O)n1N;FFMUBEIOLCMRSL-UHFFFAOYSA-N;148.1;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120776;MM120776;CNc1nc(C)no1;DMEYUXLHKAIWKJ-UHFFFAOYSA-N;113.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120777;MM120777;CNc1nc(N)no1;YSLUDESEWAYJKD-UHFFFAOYSA-N;114.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120778;MM120778;N=c1cc(O)[nH]c(=O)cn1;UPHWOPBAMGBDID-UHFFFAOYSA-N;139.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120779;MM120779;COc1nc(C)no1;XKYQCTVQVCBFHW-UHFFFAOYSA-N;114.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120780;MM120780;COc1nc(N)no1;SZORYQPZNOIXEL-UHFFFAOYSA-N;115.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120781;MM120781;N=c1nc(O)[nH]n(N)c1=N;FHOJJGDIIXDKJW-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120782;MM120782;C=CC1=CC(C)=CC1;CFZFWAQYBVRNFX-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120783;MM120783;CC1=CCC(C=O)=C1;BEQCINRZAVIAKF-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120784;MM120784;CC1=CCC(C#N)=C1;VZFWIXWEOFKVLC-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120785;MM120785;C=CC1=CC(F)=CC1;IJAHUKVGRNMGGG-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120786;MM120786;O=CC1=CC(F)=CC1;YTZWKBJFKSUBMU-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120787;MM120787;N#CC1=CC(F)=CC1;SFQHQQXWSFXXBI-UHFFFAOYSA-N;109.1;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120788;MM120788;C=Cc1cc(C)c[nH]1;HMPMYJJGTYSXBO-UHFFFAOYSA-N;107.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120789;MM120789;Cc1c[nH]c(C#N)c1;MLRYBZGVYKDDEM-UHFFFAOYSA-N;106.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120790;MM120790;CCC(F)CN(N)C=NO;KIMCFAVWJSFANI-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120791;MM120791;C=CN=C(C)NC(=O)CC;NDSIUZJGCLRJAI-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120792;MM120792;C=Cc1cc(F)c[nH]1;YFMOHXBDWLNBHV-UHFFFAOYSA-N;111.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120793;MM120793;CCc1[nH]oc(=O)c1F;BQYKJBTUVYOETP-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120794;MM120794;N#Cc1cc(F)c[nH]1;XYGJTMPAWIJMBV-UHFFFAOYSA-N;110.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120795;MM120795;C=Cc1cc(C)co1;XKLXIAXQKXXTMR-UHFFFAOYSA-N;108.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120796;MM120796;Cc1coc(C=O)c1;BLHZUMDWLLFLJC-UHFFFAOYSA-N;110.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120797;MM120797;Cc1coc(C#N)c1;IHSJVRLWGOHIIG-UHFFFAOYSA-N;107.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120798;MM120798;C=Cc1cc(N)co1;TZRGISANHOWWDC-UHFFFAOYSA-N;109.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120799;MM120799;Nc1coc(C=O)c1;KQCXYFRJCARTDO-UHFFFAOYSA-N;111.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120800;MM120800;N#Cc1cc(N)co1;PUUYMRRWHRYZQD-UHFFFAOYSA-N;108.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120801;MM120801;C=Cc1cc(F)co1;NYZHHMYTCUKMFP-UHFFFAOYSA-N;112.1;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120802;MM120802;O=Cc1cc(F)co1;ZYSQCKYCBRQBHZ-UHFFFAOYSA-N;114.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120803;MM120803;N#Cc1cc(F)co1;WUZVIHYGVZQGFB-UHFFFAOYSA-N;111.08;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120804;MM120804;C=Cc1cc(C)no1;OTWQLQKFCIZMFQ-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120805;MM120805;Cc1cc(C=O)on1;GEWPFPUABRRBPS-UHFFFAOYSA-N;111.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120806;MM120806;Cc1cc(C#N)on1;CWGHXEQLWFSUBS-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120807;MM120807;C=Cc1cc(F)no1;VCECVJSDVDOECT-UHFFFAOYSA-N;113.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120808;MM120808;O=Cc1cc(F)no1;KUQXPBJFNPGWDL-UHFFFAOYSA-N;115.06;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120809;MM120809;N#Cc1cc(F)no1;UJKKKMPIUVJTEM-UHFFFAOYSA-N;112.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120810;MM120810;C=Cc1nc(C)co1;KPCXUOBTTSRANR-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120811;MM120811;Cc1coc(C=O)n1;WQFUYXRLSRTPKS-UHFFFAOYSA-N;111.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120812;MM120812;Cc1coc(C#N)n1;GCIWLZNEHIFDBV-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120813;MM120813;CC(C)N=C(C=NO)NN;BSBUFYZYSNYAHS-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120814;MM120814;CN=C(C=NO)NN(C)C;ZMQGLCIGVSHPCT-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120815;MM120815;N#Cc1nc(N)co1;OPOJATUBFONUNW-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120816;MM120816;C=Cc1nc(F)co1;SHCIVBNXKDLBML-UHFFFAOYSA-N;113.09;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120817;MM120817;O=Cc1nc(F)co1;KMPZHWZMCUALCE-UHFFFAOYSA-N;115.06;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120818;MM120818;N#Cc1nc(F)co1;QMURDTUIVCKRSH-UHFFFAOYSA-N;112.06;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120819;MM120819;C=Cc1nc(C)no1;HNQMYOIJAWDJTH-UHFFFAOYSA-N;110.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120820;MM120820;Cc1noc(C=O)n1;VGAOANULFATMLJ-UHFFFAOYSA-N;112.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120821;MM120821;Cc1noc(C#N)n1;OIXORNCHFRLLSB-UHFFFAOYSA-N;109.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120822;MM120822;C=Cc1nc(N)no1;TWLLJPIYHVXWDU-UHFFFAOYSA-N;111.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120823;MM120823;Nc1noc(C=O)n1;UJIVYERMPVZRFG-UHFFFAOYSA-N;113.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120824;MM120824;N#Cc1nc(N)no1;YIPQFMJJSGFKSC-UHFFFAOYSA-N;110.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120825;MM120825;Cc1cn(O)c(=O)n1O;KGTHKVHCNQYHHW-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120826;MM120826;Cn1cnn(O)c1=O;GVSKJVWYJZWZDC-UHFFFAOYSA-N;115.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120827;MM120827;Nc1nc(=O)[nH]cnc1=O;JSQMWZMKMGOCIO-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120828;MM120828;C#CC1=CC(C)=CC1;PHVXREGUXHOUFN-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120829;MM120829;C#CC1=CC(F)=CC1;YDXDTICWTWISEW-UHFFFAOYSA-N;108.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120830;MM120830;C#Cc1cc(C)c[nH]1;VIMRXLNYDQUXFD-UHFFFAOYSA-N;105.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120831;MM120831;CC=COCC(=O)NC=N;GPJXHJRXZYKTGL-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120832;MM120832;C#Cc1cc(F)c[nH]1;AQZIZCMJKAOGDE-UHFFFAOYSA-N;109.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120833;MM120833;C#Cc1cc(C)co1;RBZHSKXLRWRCIU-UHFFFAOYSA-N;106.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120834;MM120834;C#Cc1cc(N)co1;AOBOFZXVCFDMLV-UHFFFAOYSA-N;107.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120835;MM120835;C#Cc1cc(F)co1;JURZTNQZKQQQNR-UHFFFAOYSA-N;110.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120836;MM120836;C#Cc1cc(C)no1;FEQKQRACAJCEQV-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120837;MM120837;C#Cc1cc(F)no1;NGCWZYXJOVCAQD-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120838;MM120838;C#Cc1nc(C)co1;ZRWRFHCWZQDWQK-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120839;MM120839;N=CNC(=O)COC=NN;GQQSHTLEKPOZOT-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120840;MM120840;C#Cc1nc(F)co1;QJLDARRKPJPIBK-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120841;MM120841;C#Cc1nc(C)no1;GIJAQCCWCVSJJQ-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120842;MM120842;C#Cc1nc(N)no1;HZESWIITYKWCEH-UHFFFAOYSA-N;109.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120843;MM120843;C#CCC(=O)NOC;SXXABEDKGGXMHX-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120844;MM120844;CCC(C)CC1CC1;QWMVMQSJTWVXOC-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120845;MM120845;CC(CN)CC1CC1;UTHIUVSEHIEGHI-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120846;MM120846;CCNC(=O)NC=NC=N;BJIUOOMJRAMQSS-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120847;MM120847;CC(CF)CC1CC1;WIHNDISUFYRSAC-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120848;MM120848;CCC(N)CC1CC1;JCXKPIBKDPHVEY-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120849;MM120849;NCC(N)CC1CC1;FAIPRJDAHMOBOD-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120850;MM120850;NC(CO)CC1CC1;FOLTVANRLLYQGK-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120851;MM120851;NC(CF)CC1CC1;NWZJVQWFSQNWAW-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120852;MM120852;C=C(C=CC)C=CC=NO;YSEUNTPVUIBPNA-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120853;MM120853;NCC(O)CC1CC1;WDIBTYAMLORTRA-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120854;MM120854;OCC(O)CC1CC1;NISQDJZFMICWIR-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120855;MM120855;OC(CF)CC1CC1;LUUABPAVOLNRSI-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120856;MM120856;CCC(F)CC1CC1;JWXVBTNKPKRVPB-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120857;MM120857;NCC(F)CC1CC1;QVWSPVYIGSJGPF-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120858;MM120858;OCC(F)CC1CC1;YCDNLJRQJNVUJB-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120859;MM120859;FCC(F)CC1CC1;LXFPIWYDOLGFBD-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120860;MM120860;CNC(C)CC1CC1;SIJUMONRRVKJQU-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120861;MM120861;COC(C)CC1CC1;KTLTYSDWGHDOHM-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120862;MM120862;CCC(C)NC1CC1;QONIUYZZEKLXQB-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120863;MM120863;CC(CN)NC1CC1;ZTDQEMQSXIMPFF-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120864;MM120864;CC(CO)NC1CC1;ONRQMEJUUSHNQQ-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120865;MM120865;CC(CF)NC1CC1;AHXSKSNBKGAIOF-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120866;MM120866;CCC(C)OC1CC1;MZTGFNKHCIYPDP-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120867;MM120867;CC(CN)OC1CC1;GZYARRNFUNRZGP-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120868;MM120868;CC(CO)OC1CC1;BSTYXWLMCWRMHP-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120869;MM120869;CC(CF)OC1CC1;WTSCWESSNBTWMO-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120870;MM120870;COC(C)OC1CC1;HBMZIDJABUHBLA-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120871;MM120871;CCN(C)CC1CC1;ZGISORRLLGBMAK-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120872;MM120872;CC(CN)CC1CN1;GXKHHMNKRNDVCK-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120873;MM120873;CCC(N)CC1CN1;LVVJTXAVVGGAFF-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120874;MM120874;NCC(N)CC1CN1;RPVKKLNTAHSODG-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120875;MM120875;NC(CO)CC1CN1;HKIQCYHITGBZFA-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120876;MM120876;NC(CF)CC1CN1;ZSRNWLLLTLDWGE-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120877;MM120877;NCC(O)CC1CN1;MDZACPHFYRLZHS-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120878;MM120878;NCC(F)CC1CN1;AKVUVLYPWOKXOO-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120879;MM120879;CNC(C)CC1CN1;UUTTYPKVYIGNPS-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120880;MM120880;CCN(C)CC1CN1;WXPORICFSJIDDJ-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120881;MM120881;CCC(C)CC1CO1;DCURUSMYSILIGA-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120882;MM120882;CC(CN)CC1CO1;BBUPEXCAQFYNLT-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120883;MM120883;CC(CO)CC1CO1;KMWAOMUVLDWUCJ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120884;MM120884;CC(CF)CC1CO1;DNUBTOBSSYREKD-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120885;MM120885;CCC(N)CC1CO1;MPLBYFALVWTDIF-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120886;MM120886;NCC(N)CC1CO1;GXTLDUZKOBDAIJ-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120887;MM120887;NC(CO)CC1CO1;PWHLPIZBGTWTBW-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120888;MM120888;NC(CF)CC1CO1;AWQOYIMBKRDXRO-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120889;MM120889;CCC(O)CC1CO1;HUUXOKLITMBBCB-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120890;MM120890;NCC(O)CC1CO1;HKHMFDUQRPXKPG-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120891;MM120891;OCC(O)CC1CO1;LCYDMVAVSPMZIQ-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120892;MM120892;OC(CF)CC1CO1;HUSOLCNRDGLYNB-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120893;MM120893;CCC(F)CC1CO1;WIAYAELGXFVNRK-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120894;MM120894;NCC(F)CC1CO1;OPQJGZYBUDTPAV-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120895;MM120895;OCC(F)CC1CO1;MZDPGQPQKIDNBL-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120896;MM120896;FCC(F)CC1CO1;XHUDHHBGQXIDGA-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120897;MM120897;CNC(C)CC1CO1;WBDAPJYESYQDAC-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120898;MM120898;COC(C)CC1CO1;HLYPZJDQFALEPH-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120899;MM120899;CCN(C)CC1CO1;BVYSYNWYAWBXRT-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120900;MM120900;CC(CN)CN1CC1;CXBDLBDNMYPRNE-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120901;MM120901;CCC(N)CN1CC1;UQNGVIVKOADBFR-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120902;MM120902;NCC(N)CN1CC1;CTSIERGPAGLNPJ-UHFFFAOYSA-N;115.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120903;MM120903;NC(CO)CN1CC1;AYAMITBEOXCPQV-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120904;MM120904;NCC(O)CN1CC1;SQNSMUDYJSHVSV-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120905;MM120905;C=CCC(C)=C(C)C=NO;XPYDQDIIVGEKBH-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120906;MM120906;COC(=N)NOC(=O)NN;KLJJCJAHLSOLRL-UHFFFAOYSA-N;148.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120907;MM120907;CCC(F)CN1CC1;WLYOMFOTXLHNMR-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120908;MM120908;NCC(F)CN1CC1;WTZUDXROFZVMFQ-UHFFFAOYSA-N;118.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120909;MM120909;CC(F)=CNC(=NO)NO;GWSWCOJSKCHGSK-UHFFFAOYSA-N;149.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120910;MM120910;CNC(C)CN1CC1;PBKDIAVDIGYXBH-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120911;MM120911;C=CC(C)CC1CC1;UPUIAHXHHMIXHW-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120912;MM120912;CC(C=O)CC1CC1;NOQCSSAEKDLHCI-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120913;MM120913;CC(C#N)CC1CC1;SUQZQJLSGAHVMH-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120914;MM120914;C=CC(N)CC1CC1;PNTAZIUJCMMVMM-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120915;MM120915;C=CC(CC=C(C)C)=NO;IYLWQOOQDYJIFY-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120916;MM120916;O=CC(O)CC1CC1;NJCVZHDWYWUMLY-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120917;MM120917;N#CC(O)CC1CC1;YECZNJXXRFOIRE-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120918;MM120918;C=CC(F)CC1CC1;WOHDNVPHWPFJIG-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120919;MM120919;O=CC(F)CC1CC1;WXKOAJCJTKRLKB-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120920;MM120920;N#CC(F)CC1CC1;QPROGPIDYJBOAD-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120921;MM120921;C=CC(C)NC1CC1;RFKNOUFVDHFRHS-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120922;MM120922;CC(C#N)NC1CC1;UMMIQMAIGBATCS-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120923;MM120923;C=CC(C)OC1CC1;ZSVCGOIGWRSKGS-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120924;MM120924;CC(C=O)OC1CC1;WIIGVEKAWJHQTJ-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120925;MM120925;CC(C#N)OC1CC1;OPTCVVOKTWWIBN-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120926;MM120926;CN(C=N)CC1CC1;VPHQRONITYAQHI-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120927;MM120927;CN(C=O)CC1CC1;ZHVSCAKFSPGVKF-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120928;MM120928;N=CN(N)CC1CC1;KFNVWVXZXVQKFW-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120929;MM120929;NN(C=O)CC1CC1;ZXOZVRYCANKBGQ-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120930;MM120930;N=CN(O)CC1CC1;ODBBHVKZNLCFLT-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120931;MM120931;O=CN(O)CC1CC1;UEMAHBBDUPPWOH-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120932;MM120932;C=NN(C)CC1CC1;ASIKAQVAJNFIDU-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120933;MM120933;CN(C=N)NC1CC1;RJGXJMVUCULPSZ-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120934;MM120934;CN(C=O)NC1CC1;QTDJNDCMGCRFRP-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120935;MM120935;CN(C=N)OC1CC1;RMACWXBQEUGQPY-UHFFFAOYSA-N;114.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120936;MM120936;CN(C=O)OC1CC1;MEURRNJTXYRYSP-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120937;MM120937;C=CC(N)CC1CN1;NBJDGHKTKUYSRE-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120938;MM120938;CN(C=N)CC1CN1;UJULEFNHKOJCIT-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120939;MM120939;N=CN(N)CC1CN1;FLRRUVKUCUHDAA-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120940;MM120940;C=CC(C)CC1CO1;UWXXPVYOVQOCKW-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120941;MM120941;CC(C=O)CC1CO1;GYLVKESQULROTD-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120942;MM120942;CC(C#N)CC1CO1;GSGUSRKAPRROMD-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120943;MM120943;C=CC(N)CC1CO1;ICMPXZJGHQUXFT-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120944;MM120944;C=CC(O)CC1CO1;ICVCCOQKNDCWOM-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120945;MM120945;O=CC(O)CC1CO1;VWFCPSOGZGIQPR-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120946;MM120946;N#CC(O)CC1CO1;LWUHLLRRSDUYFS-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120947;MM120947;C=CC(F)CC1CO1;LKIGDVIMLUXHLH-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120948;MM120948;O=CC(F)CC1CO1;MVOSSYZNYQCQLI-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120949;MM120949;N#CC(F)CC1CO1;UUVDXHXIJLPVNM-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120950;MM120950;CN(C=N)CC1CO1;BLJAMNFSBFNCCX-UHFFFAOYSA-N;114.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120951;MM120951;CN(C=O)CC1CO1;LGZCDYMCQFJUDR-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120952;MM120952;N=CN(N)CC1CO1;DIPCQVXLWHAJIV-UHFFFAOYSA-N;115.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120953;MM120953;NN(C=O)CC1CO1;GUIFNZGHGJMMEI-UHFFFAOYSA-N;116.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120954;MM120954;C=NN(C)CC1CO1;ZFMJKTFAKCYRQZ-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120955;MM120955;C#CC(=C)N(C)C(C)=NO;WABAKBHFBAHLNF-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120956;MM120956;CC(C#N)CN1CC1;AMGDOGFPHSSACT-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120957;MM120957;C=CC(N)CN1CC1;DKIDVQFGGVGGFN-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120958;MM120958;C=NNCC#CC(=O)NN;YQFXSVGQIDZYFE-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120959;MM120959;ON=CNC1CC1(O)CF;NAKWETCUAFOMEP-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120960;MM120960;C=CC(F)CN1CC1;IYZZCMFARLYBAK-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120961;MM120961;CON=C(NN)C(=O)NN;WUJUELSXCUCEHA-UHFFFAOYSA-N;147.14;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120962;MM120962;N#CC(F)CN1CC1;MUCYDBXTHOJEJC-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120963;MM120963;C#CC(C)CC1CC1;HZYPHYRQJVUVBO-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120964;MM120964;C#CC(N)CC1CC1;AMGQGBKDHKYJSO-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120965;MM120965;C#CC(O)CC1CC1;WIGCCXQLCAMLDY-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120966;MM120966;C#CC(F)CC1CC1;ARPOKIZVCRJZTC-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120967;MM120967;C#CC(C)NC1CC1;OTNUZOFNUVUWQL-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120968;MM120968;C#CC(C)OC1CC1;MLOJNLKYHUJAKE-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120969;MM120969;C#CC(N)CC1CN1;XHBTVXZHCLNUFL-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120970;MM120970;C#CC(C)CC1CO1;ZSJLJOHOSGMDTK-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120971;MM120971;C#CC(N)CC1CO1;KVOKMPBZKQFVCV-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120972;MM120972;C#CC(O)CC1CO1;FIPYLGANHOVHSB-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120973;MM120973;C#CC(F)CC1CO1;JRGBMGYJHHNFIG-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120974;MM120974;C=CC(C=CC=NO)=CC;PGQIYCQRQYQCMQ-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120975;MM120975;C#CC(F)CN1CC1;QWLHDUKOMPXKDE-UHFFFAOYSA-N;113.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120976;MM120976;C=C(CC)CC1CC1;BXEIWHJSYXOQSA-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120977;MM120977;C=C(CN)CC1CC1;GVJIUXCITPDOOB-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120978;MM120978;C=C(CO)CC1CC1;KJAIVCYFCLBRGA-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120979;MM120979;C=C(CF)CC1CC1;DIAQYAHLTSKIIM-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120980;MM120980;CCC(=O)CC1CC1;CWBXRPMPOBUVMH-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120981;MM120981;O=C(CO)CC1CC1;WTZOQXVXFMYKGI-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120982;MM120982;O=C(CF)CC1CC1;SFCSYVVZTFJTQP-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120983;MM120983;CNC(=N)CC1CC1;WWNQDLQKTLSKMD-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120984;MM120984;N=C(CC1CC1)NN;QXBHFKOHDHDHKB-UHFFFAOYSA-N;113.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120985;MM120985;N=C(CC1CC1)NO;DXMRZDCNKSWOHT-UHFFFAOYSA-N;114.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120986;MM120986;C#CC(=NO)N(N)CC=C;RQHMZYQDEBDFMR-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120987;MM120987;O=C(CC1CC1)NO;SSTIBZZLGJIPIY-UHFFFAOYSA-N;115.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120988;MM120988;C=C(CC1CC1)OC;CLSADTLVFPLQMW-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120989;MM120989;COC(=O)CC1CC1;CRBILHZMYDIQRQ-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120990;MM120990;CCC(=N)NC1CC1;FOMXLUNUUOZZQX-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120991;MM120991;N=C(CN)NC1CC1;QHTRAFROZDILEC-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120992;MM120992;N=C(CO)NC1CC1;PFPLUUUXDDNUNG-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120993;MM120993;CCC(=O)NC1CC1;UITGLCUULOSTEG-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120994;MM120994;O=C(CO)NC1CC1;CDMWWSWVOOAADG-UHFFFAOYSA-N;115.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120995;MM120995;O=C(CF)NC1CC1;ALAFXRWGWKSPEY-UHFFFAOYSA-N;117.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120996;MM120996;CNC(=N)NC1CC1;VEJVIZMOFDJKFE-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120997;MM120997;N=C(NN)NC1CC1;NONRVAFZQPVDPY-UHFFFAOYSA-N;114.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120998;MM120998;N=C(NO)NC1CC1;IJMQWMFWLFIPIF-UHFFFAOYSA-N;115.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM120999;MM120999;CNC(=O)NC1CC1;WIWZBGUEDUUYBD-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121000;MM121000;CN=CN(O)C(=NO)NN;QWVNDMKQYDIYSN-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121001;MM121001;O=C(NO)NC1CC1;UNMGVQVMOPCNIF-UHFFFAOYSA-N;116.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121002;MM121002;COC(=N)NC1CC1;AJESGUMPWUDPML-UHFFFAOYSA-N;114.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121003;MM121003;COC(=O)NC1CC1;WJNZDULHWTUCDB-UHFFFAOYSA-N;115.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121004;MM121004;C=C(CC)OC1CC1;WFRXGYIHPOZRRR-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121005;MM121005;C=C(CN)OC1CC1;VUSVEFDBILUORX-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121006;MM121006;C=C(CO)OC1CC1;DJHWIQKQCCZISZ-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121007;MM121007;C=C(CF)OC1CC1;LWNQMVDGKGWUQC-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121008;MM121008;CCC(=O)OC1CC1;RNGUBCVPFJUJER-UHFFFAOYSA-N;114.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121009;MM121009;O=C(CO)OC1CC1;HWZXWVAHQVTEDN-UHFFFAOYSA-N;116.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121010;MM121010;O=C(CF)OC1CC1;QABYVCQPGZWLBJ-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121011;MM121011;CNC(=N)OC1CC1;RKCHOPOQHQIYFQ-UHFFFAOYSA-N;114.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121012;MM121012;CNC(=O)OC1CC1;GKWDAJVAMYMOJI-UHFFFAOYSA-N;115.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121013;MM121013;C#CC1=NNC(=NC=C)C1;WRNJJDSJOSCZIZ-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121014;MM121014;O=C(NO)OC1CC1;MRMDBZJYPKDVIF-UHFFFAOYSA-N;117.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121015;MM121015;COC(=O)OC1CC1;ORIOMEQNMRFCMM-UHFFFAOYSA-N;116.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121016;MM121016;C=C(CN)CC1CN1;ANMFNVIRLUQIPV-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121017;MM121017;CNC(=N)CC1CN1;AJNVUBGMKRNLOH-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121018;MM121018;N=C(CC1CN1)NN;LJQMSAPFLYYGOU-UHFFFAOYSA-N;114.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121019;MM121019;N=C(CC1CN1)NO;JEROWBZERRVRKF-UHFFFAOYSA-N;115.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121020;MM121020;C=C(CC)CC1CO1;YRONDHIIGZGKGI-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121021;MM121021;C=C(CN)CC1CO1;XIUORAGPJVOGRZ-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121022;MM121022;C=C(CO)CC1CO1;AULDKLMPWGYOCJ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121023;MM121023;C=C(CF)CC1CO1;WTHLZGRGUDBONG-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121024;MM121024;CCC(=O)CC1CO1;AOFXJENCPNCSGU-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121025;MM121025;O=C(CO)CC1CO1;BTURIZZPSUBNLP-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121026;MM121026;O=C(CF)CC1CO1;XPNBEYCPVXHELT-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121027;MM121027;CNC(=N)CC1CO1;CIMOVHKUMUMTRE-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121028;MM121028;N=C(CC1CO1)NN;UPHNWJWJLGRECQ-UHFFFAOYSA-N;115.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121029;MM121029;N=C(CC1CO1)NO;AZYFYWKTRLXBOJ-UHFFFAOYSA-N;116.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121030;MM121030;CNC(=O)CC1CO1;RJDBUKASYVZCQC-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121031;MM121031;N=CNC(=O)CO;SHLBILPNWMLLAH-UHFFFAOYSA-N;102.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121032;MM121032;O=C(CC1CO1)NO;JKSHHQSLLBSEFA-UHFFFAOYSA-N;117.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121033;MM121033;C=C(CC1CO1)OC;BIFCLPWWCLAGJD-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121034;MM121034;COC(=O)CC1CO1;DQHYBNWZWWGNQB-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121035;MM121035;C=C(CN)CN1CC1;ZPMPDGYIAJCDOZ-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121036;MM121036;CC1CC(=O)NN1;WYVJDRGXWOXCCH-UHFFFAOYSA-N;100.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121037;MM121037;C=C(CF)CN1CC1;DGASANIGCAKROL-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121038;MM121038;CCC(=O)CN1CC1;PLOYSPKDXAQIIJ-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121039;MM121039;CC1=NNC(=N)C1;ZOLMLLCTSYPNFL-UHFFFAOYSA-N;97.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121040;MM121040;CC1CNNC1=O;XVRRTSAWVKTSSW-UHFFFAOYSA-N;100.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121041;MM121041;CNC(=N)CN1CC1;IGYJVICIGQFNLW-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121042;MM121042;N=C(CN1CC1)NN;DCDVAVUZGPZNOV-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121043;MM121043;N=C(CN1CC1)NO;RDWLAAOZQHSEJT-UHFFFAOYSA-N;115.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121044;MM121044;COCC(=O)NC=N;CAPXBUORKWDWDV-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121045;MM121045;Cc1nc(N=N)c[nH]1;CMLJMJCFYNGMSB-UHFFFAOYSA-N;110.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121046;MM121046;O=C(CN1CC1)NO;WVLNELYMFRCHFW-UHFFFAOYSA-N;116.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121047;MM121047;C=C(CN1CC1)OC;QIKRASLHKKJPSB-UHFFFAOYSA-N;113.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121048;MM121048;COC(=O)CN1CC1;VWCXRUKYXADUBM-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121049;MM121049;CCC(=N)NN1CC1;XRDJMIYWMRMAIH-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121050;MM121050;N=C(CN)NN1CC1;YYUYOIDSELZDLY-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121051;MM121051;N=C(CO)NN1CC1;RMCDPQURPDCQGR-UHFFFAOYSA-N;115.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121052;MM121052;CCC(=O)NN1CC1;NCPAVZRGPIJDML-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121053;MM121053;O=C(CO)NN1CC1;PRLWPJOJAMXNSZ-UHFFFAOYSA-N;116.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121054;MM121054;O=C(CF)NN1CC1;BNBYKZIADHURDH-UHFFFAOYSA-N;118.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121055;MM121055;CNC(=N)NN1CC1;ILPUFCPHHBRRKN-UHFFFAOYSA-N;114.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121056;MM121056;N=C(NN)NN1CC1;SQNKTVMXVCXCRI-UHFFFAOYSA-N;115.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121057;MM121057;N=C(NO)NN1CC1;WJPYDRKMFMLPCP-UHFFFAOYSA-N;116.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121058;MM121058;CNC(=O)NN1CC1;ILBGIRXOSGLNSK-UHFFFAOYSA-N;115.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121059;MM121059;NNC(=O)NN1CC1;LKIRMWIVIBGAGD-UHFFFAOYSA-N;116.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121060;MM121060;O=C(NO)NN1CC1;XZUVJTSQVXFOJY-UHFFFAOYSA-N;117.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121061;MM121061;COC(=O)NN1CC1;ZUCZMNOMZJWVGA-UHFFFAOYSA-N;116.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121062;MM121062;C=CC(=C)CC1CC1;ZXOOJJOKWOKEJK-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121063;MM121063;C=C(C=O)CC1CC1;WXNTUIZHCIQSNF-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121064;MM121064;C=C(C#N)CC1CC1;YEFMWCFSFVUKQP-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121065;MM121065;C=CC(=O)CC1CC1;HQLSVZFENKJQEZ-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121066;MM121066;O=CC(=O)CC1CC1;VKWYDXVSOBAUFN-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121067;MM121067;N#CC(=O)CC1CC1;FALBYGZQMLXYIS-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121068;MM121068;C=CC(=N)NC1CC1;KNPFSGXRWAMYMF-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121069;MM121069;N=C(C=O)NC1CC1;MRJAKUNTJIBPGM-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121070;MM121070;N#CC(=N)NC1CC1;OPTQFUBPOWDUBB-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121071;MM121071;CC(=O)NC(=N)C=CN;BREFXZYDQYEKQC-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121072;MM121072;O=CC(=O)NC1CC1;AAYDBNAMIRUIQF-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121073;MM121073;N#CC(=O)NC1CC1;NFAQRRNOQFYFGY-UHFFFAOYSA-N;110.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121074;MM121074;C=CC(=C)OC1CC1;YPAWUOXWHXPUIM-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121075;MM121075;C=C(C=O)OC1CC1;VNMYXDFGVJCHST-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121076;MM121076;C=C(C#N)OC1CC1;RRSLFMNUKWBKHV-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121077;MM121077;C=CC(=O)OC1CC1;JUZDVEMPFDZWNY-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121078;MM121078;O=CC(=O)OC1CC1;UQSXHFNKAUGPHO-UHFFFAOYSA-N;114.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121079;MM121079;N#CC(=O)OC1CC1;YHQQWDSWJOLLGY-UHFFFAOYSA-N;111.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121080;MM121080;CCOCC(=O)NC=N;FEPCRDQBOPVRAW-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121081;MM121081;C=CC(=C)CC1CO1;PMKBNUBDSHICSZ-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121082;MM121082;C=C(C=O)CC1CO1;OXHXFMPXZQJQBW-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121083;MM121083;C=C(C#N)CC1CO1;PWWPDNLJBIEWAG-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121084;MM121084;C=CC(=O)CC1CO1;JPJPDUCPNVNXQM-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121085;MM121085;O=CC(=O)CC1CO1;FFADKNDKOPOBMP-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121086;MM121086;N#CC(=O)CC1CO1;QKHPYMWHHKPSLS-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121087;MM121087;C=CC(=C)CN1CC1;GKZJQHMUQAPEQL-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121088;MM121088;C=C(C=O)CN1CC1;VFKHXVYKYDWJFR-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121089;MM121089;C=C(C#N)CN1CC1;ZSVPWMVJOXKFET-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121090;MM121090;C=CC(=O)CN1CC1;CQRATHGCIIWBIE-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121091;MM121091;CC=CC(C)=CC=NO;XTYSFJRJTAJZLC-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121092;MM121092;CCCC(C=CN)=NO;UJIBFGXLGPBALD-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121093;MM121093;C=CC(=N)NN1CC1;KHLVCQFLZNYHEU-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121094;MM121094;CC12CC1C(=O)NC2=N;YSBAOXMZOMFHNE-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121095;MM121095;CCC1=NNC(=N)C1C;LEEXRCBNKPVOTP-UHFFFAOYSA-N;125.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121096;MM121096;C=CC(=O)NN1CC1;KSWZVNSUDFMYLQ-UHFFFAOYSA-N;112.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121097;MM121097;O=CC(=O)NN1CC1;ASJCKNNQKDCRIL-UHFFFAOYSA-N;114.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121098;MM121098;C#CC(=C)CC1CC1;VDWNCRGVYKXRGE-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121099;MM121099;C#CC(=O)CC1CC1;ABDHODSIPCOSFS-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121100;MM121100;C#CC(=N)NC1CC1;HRUBGWRVFMTTFO-UHFFFAOYSA-N;108.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121101;MM121101;C#CC(=O)NC1CC1;DAZDJUSRUDPVJW-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121102;MM121102;C#CC(=C)OC1CC1;VLMSKIXHFRBKAA-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121103;MM121103;C#CC(=O)OC1CC1;KFKZSZUOTUNNHP-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121104;MM121104;C#CC(=C)CC1CO1;JZNLBBGOJABOSR-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121105;MM121105;C#CC(=O)CC1CO1;SYWKRQCJTCGRNX-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121106;MM121106;C#CC(=C)CN1CC1;YEZCBTZGTCAFTM-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121107;MM121107;CCc1c[nH]c(C=O)n1;BYFFEYKNQDHJJS-UHFFFAOYSA-N;124.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121108;MM121108;C#CC(=N)NN1CC1;DVLMDJLRZZVMAX-UHFFFAOYSA-N;109.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121109;MM121109;C#CC(=O)NN1CC1;JCHIFLXCRVOFRN-UHFFFAOYSA-N;110.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121110;MM121110;CC=C(C)CC1CC1;WSMNQGGPXMLCDC-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121111;MM121111;CC(=CF)CC1CC1;UVHNVUZMSHVOJJ-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121112;MM121112;CC=C(F)CC1CC1;GJYJIGOVVBGLKM-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121113;MM121113;FC=C(F)CC1CC1;ZZYGPWXDOFSUOC-UHFFFAOYSA-N;118.13;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121114;MM121114;CC(CC1CC1)=NN;WHVIWIJPVIRFAO-UHFFFAOYSA-N;112.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121115;MM121115;CC(CC1CC1)=NO;PHRSCKFJWOFSLO-UHFFFAOYSA-N;113.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121116;MM121116;CN=C(C)NC1CC1;WTXGFEIFEOQBTF-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121117;MM121117;CC(=NN)NC1CC1;PUSFYENDQCVWPX-UHFFFAOYSA-N;113.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121118;MM121118;N#CCNC(=O)C1CN1;AEIDASGRSOCPSL-UHFFFAOYSA-N;125.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121119;MM121119;CC=C(C)OC1CC1;XBIDOACZAMSCME-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121120;MM121120;CC(=CF)OC1CC1;JZYWTUVTFZXINN-UHFFFAOYSA-N;116.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121121;MM121121;CC(=O)NC(=N)C=CNN;HJBCDHQTKRUBFB-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121122;MM121122;CC(=NO)OC1CC1;CBLYSODEQIEKTB-UHFFFAOYSA-N;115.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121123;MM121123;CC=C(C)CC1CO1;DKHRSKZZCOQFDJ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121124;MM121124;CC(=CF)CC1CO1;BGZIBWMFIRHSNG-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121125;MM121125;CC=C(F)CC1CO1;MOMRIYNQTKJQDG-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121126;MM121126;FC=C(F)CC1CO1;BWVYLQLDUKJDDO-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121127;MM121127;CC(CC1CO1)=NN;NIQOTOXTPLDKDL-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121128;MM121128;CC(CC1CO1)=NO;DNVQZRXROSFZCY-UHFFFAOYSA-N;115.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121129;MM121129;CC(=CF)CN1CC1;BUYNOBPWEIPYJT-UHFFFAOYSA-N;115.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121130;MM121130;CC=C(F)CN1CC1;MFXORSGHVDRUBH-UHFFFAOYSA-N;115.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121131;MM121131;FC=C(F)CN1CC1;XBTQGFUIUBFVMR-UHFFFAOYSA-N;119.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121132;MM121132;CC(CN1CC1)=NN;ZVSBWYWNIDGUKM-UHFFFAOYSA-N;113.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121133;MM121133;CC(C)(C=CC=NO)CO;DHOGKSFTLWKURE-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121134;MM121134;CN=C(C)NN1CC1;NRMSSYNPYGOUIH-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121135;MM121135;CCC(=N)NC(=O)N(C)C;KHHWXZSKVGORII-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121136;MM121136;CCC(C)=CC1CC1;PEFCHTKVVVMDLZ-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121137;MM121137;CC(=CC1CC1)CN;NPYQDLKFQUHWQT-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121138;MM121138;CC(=CC1CC1)CO;LIOZMOBOEZDPFV-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121139;MM121139;CC(=CC1CC1)CF;MROIEHOZSUWNSV-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121140;MM121140;CCC(F)=CC1CC1;RZVXBJQCHXWQLU-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121141;MM121141;OCC(F)=CC1CC1;AWSSOTDWOOLGCU-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121142;MM121142;FCC(F)=CC1CC1;NWHZLOLOVDUKIR-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121143;MM121143;COC(C)=CC1CC1;WTCMTOXYTCKZOL-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121144;MM121144;CC(=CC1CN1)CN;VQEAVHIQYCBWLS-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121145;MM121145;CC=CC(=NC)NC(C)=O;ZWANZRUQVFKALY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121146;MM121146;CCC(C)=CC1CO1;DNIHSFBFTJUGHL-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121147;MM121147;CC(=CC1CO1)CN;KIVHGLLFPFKINP-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121148;MM121148;CC(=CC1CO1)CO;UGMUBJOYXOPSAI-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121149;MM121149;CC(=CC1CO1)CF;DJQWCHHQLDRLPI-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121150;MM121150;CCC(F)=CC1CO1;MBQRFHXRTXVRJL-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121151;MM121151;OCC(F)=CC1CO1;CBLPNEMCEHAVJV-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121152;MM121152;COC(C)=CC1CO1;SWDCSUMQCCVYTO-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121153;MM121153;CCC(C)=NN1CC1;RLVIUBXRGOFZSB-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121154;MM121154;C=C(C)C(C=C(N)N)=NO;LDUFVZSIYRPKBR-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121155;MM121155;CC(CF)=NN1CC1;RTBWDRCQQVKBGR-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121156;MM121156;COC(C)=NN1CC1;VBSRNAICRUQCJZ-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121157;MM121157;C=CC(C)=CC1CC1;GKEZMMFZWGLIPA-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121158;MM121158;CC(C=O)=CC1CC1;YVRYJQLQTKCWES-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121159;MM121159;CC(C#N)=CC1CC1;ZCFJALQXMZYYNL-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121160;MM121160;C=CC(F)=CC1CC1;GLKIKZCBTJBQOM-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121161;MM121161;O=CC(F)=CC1CC1;JUOHBRKIVXIWCD-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121162;MM121162;N#CC(F)=CC1CC1;BGOIGFCQHIBBBC-UHFFFAOYSA-N;111.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121163;MM121163;CC(C#N)=CC1CN1;VBUOVGHPVCMZDK-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121164;MM121164;O=CC(F)=CC1CN1;JULIOUOJDOCWDP-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121165;MM121165;N#CC(F)=CC1CN1;XYNAFZIDOXEONJ-UHFFFAOYSA-N;112.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121166;MM121166;C=CC(C)=CC1CO1;WLPCVBFBYZWVPU-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121167;MM121167;CC(C=O)=CC1CO1;GFQHGWLLXBUJEL-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121168;MM121168;CC(C#N)=CC1CO1;ACROMGPNLVOHDQ-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121169;MM121169;C=CC(F)=CC1CO1;NGKLNRQHBPFQEO-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121170;MM121170;O=CC(F)=CC1CO1;ASDPBSKPHMOAEL-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121171;MM121171;N#CC(F)=CC1CO1;RLPDOKHRRJTLSD-UHFFFAOYSA-N;113.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121172;MM121172;CC(C=O)=CN1CC1;LOYMTOXNNSGKET-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121173;MM121173;CC(C#N)=CN1CC1;XRDLDFCQDONORW-UHFFFAOYSA-N;108.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121174;MM121174;O=CC(F)=CN1CC1;SNOZRXORVOFKGW-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121175;MM121175;N#CC(F)=CN1CC1;KVKUCCWNIVEERE-UHFFFAOYSA-N;112.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121176;MM121176;C=CC(C)=NN1CC1;MMKCWVCVKSNIHX-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121177;MM121177;CC(C=O)=NN1CC1;AZSZECAUBXUVNY-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121178;MM121178;CC(C#N)=NN1CC1;FMWMJKMZJYURLE-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121179;MM121179;C#CC(C)=CC1CC1;JCRVAEZDEVJIQI-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121180;MM121180;C#CC(F)=CC1CC1;CKHQJHIMIXICBJ-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121181;MM121181;C#CC(F)=CC1CN1;JNLLWFOBBFLEOA-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121182;MM121182;C#CC(C)=CC1CO1;CUKXZAMYCWVIPQ-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121183;MM121183;C#CC(F)=CC1CO1;WIBMBLIRCFGKFJ-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121184;MM121184;C#CC(C)=NN1CC1;KIZYWZKEDVNUHU-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121185;MM121185;CC(C)CCC1CC1;MPLAQZSKJGTNFA-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121186;MM121186;CC(N)CCC1CC1;YKPKQABTMNSWPD-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121187;MM121187;N=CNC(=O)COCCO;DSAQTEPGQGNDPC-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121188;MM121188;CC(F)CCC1CC1;GKFLCBXABKPMKR-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121189;MM121189;FC(F)CCC1CC1;UJQSMCOYFMIPKN-UHFFFAOYSA-N;120.14;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121190;MM121190;CC(C)NCC1CC1;GGGLFZBMDMFQQL-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121191;MM121191;CC(C)OCC1CC1;IZVWYZSJCGBWBZ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121192;MM121192;CC(C)CNC1CC1;QMRZIRCYXDFUCO-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121193;MM121193;CC(N)CNC1CC1;ZVYNOWJWZZUJGV-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121194;MM121194;CC(O)CNC1CC1;FLBAPNQECBHZCB-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121195;MM121195;CC(F)CNC1CC1;HGEODWHAOSOTSC-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121196;MM121196;CC(C)COC1CC1;HTWMXQNEAPTSAI-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121197;MM121197;CC(N)COC1CC1;GTULNCSQVPAMDD-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121198;MM121198;CC(O)COC1CC1;GJWYMIYVQAVBDH-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121199;MM121199;CC(F)COC1CC1;JRAUYEZYXAAGNC-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121200;MM121200;FC(F)COC1CC1;BWJGGRFUSSARSN-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121201;MM121201;CN(C)CCC1CC1;QSNWYLZYUAIPQH-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121202;MM121202;CC(N)CCC1CN1;DPCIZFHYNGVMNC-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121203;MM121203;CC(C)NCC1CN1;FOUKIRHFHBCKKE-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121204;MM121204;CN(C)CCC1CN1;KUPIEVWPAONFCC-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121205;MM121205;CC(C)CCC1CO1;XXVUOMFVRJIVLH-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121206;MM121206;CC(N)CCC1CO1;WLJGAGIEOGGJMB-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121207;MM121207;CC(O)CCC1CO1;OYPVNGBBFLDVJH-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121208;MM121208;CC(F)CCC1CO1;AREKHTYBUSTICL-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121209;MM121209;FC(F)CCC1CO1;WPUZDDZSOCNMJZ-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121210;MM121210;CC(C)NCC1CO1;AQFROTXMDPNEJE-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121211;MM121211;CC(C)OCC1CO1;NWLUZGJDEZBBRH-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121212;MM121212;CN(C)CCC1CO1;KWCYFBLVJBZYLM-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121213;MM121213;CC(N)CCN1CC1;ZQRSSPPOSCIHGT-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121214;MM121214;FC(F)CCN1CC1;LMEJKSQGXQSFOK-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121215;MM121215;CN(C)CCN1CC1;NQTLWSUWTCIHBM-UHFFFAOYSA-N;114.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121216;MM121216;C=C(C)CCC1CC1;STODIOWUTKYFTB-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121217;MM121217;CC(=O)CCC1CC1;LPRBSWPDOZIDQE-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121218;MM121218;N=C(N)CCC1CC1;AJHCIKUSZZBODA-UHFFFAOYSA-N;112.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121219;MM121219;C=CCOCC(=O)NC=N;LLDIYFFZUPERNX-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121220;MM121220;O=C(O)CCC1CC1;PPZZCMKWRAVJDS-UHFFFAOYSA-N;114.14;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121221;MM121221;C=C(F)CCC1CC1;NXWGTYQYRIGHJK-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121222;MM121222;CC(=N)NCC1CC1;JOFITWIIGWUTCU-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121223;MM121223;C#CCOCC(=O)NC=N;XHCAQCYGGKNNJR-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121224;MM121224;N=C(N)NCC1CC1;SOWLRADFQOJCQA-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121225;MM121225;NC(=O)NCC1CC1;IRQWLEOSDCDEHQ-UHFFFAOYSA-N;114.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121226;MM121226;C=C(C)OCC1CC1;LNICTVZWBOINPM-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121227;MM121227;CC(=O)OCC1CC1;WIJKCDNTPKNICK-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121228;MM121228;N=C(N)OCC1CC1;RDQWAFHWZJGWEI-UHFFFAOYSA-N;114.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121229;MM121229;NC(=O)OCC1CC1;UWYRVVJXSNXVAI-UHFFFAOYSA-N;115.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121230;MM121230;C=C(C)CNC1CC1;SWGNMAZFCHBTIV-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121231;MM121231;N=C(N)CNC1CC1;NLSPUCRCSZSMRZ-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121232;MM121232;NC(=O)CNC1CC1;PCVOBSZOJJBJJP-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121233;MM121233;CC(=N)NNC1CC1;PZTNFPHMGRFWND-UHFFFAOYSA-N;113.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121234;MM121234;C=CNC(=N)C(=O)NC=O;JKUHGYAVTJLAGY-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121235;MM121235;N=C(N)NNC1CC1;UEKLSQUEVMYRFY-UHFFFAOYSA-N;114.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121236;MM121236;NC(CC(C=O)CO)=NO;DMBMIJLKPRJNCX-UHFFFAOYSA-N;146.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121237;MM121237;C=C(C)COC1CC1;QXYGHDBBWOTMGT-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121238;MM121238;CC(=O)COC1CC1;FZYMWPXPVKMCCG-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121239;MM121239;N=C(N)COC1CC1;FGRFTTCLFKKJGC-UHFFFAOYSA-N;114.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121240;MM121240;NC(=O)COC1CC1;VPSCZHVAXPXRAU-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121241;MM121241;Cc1cn(C)c(O)nc1=O;GKMIDMKPBOUSBQ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121242;MM121242;C=C(F)COC1CC1;RXXBLNUTNYPMPY-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121243;MM121243;CC(=N)NOC1CC1;FXNGCKJHRKKTAU-UHFFFAOYSA-N;114.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121244;MM121244;CC(=O)NOC1CC1;HFLMPBCDMGXKDX-UHFFFAOYSA-N;115.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121245;MM121245;N=C(N)NOC1CC1;BHWPGCXGPXXOMZ-UHFFFAOYSA-N;115.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121246;MM121246;NC(=O)NOC1CC1;MNFIKSLKTRIYDC-UHFFFAOYSA-N;116.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121247;MM121247;N=C(N)CCC1CN1;BMUVMNPAPRBOEA-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121248;MM121248;CC(=N)NCC1CN1;NSRDVBDLSDVQKR-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121249;MM121249;N=C(N)NCC1CN1;XUIGRYLSCLHKDO-UHFFFAOYSA-N;114.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121250;MM121250;N=C(N)OCC1CN1;ZBVFTHWVRDMKCN-UHFFFAOYSA-N;115.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121251;MM121251;C=C(C)CCC1CO1;RFQDWHAYZBEQBY-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121252;MM121252;CC(=O)CCC1CO1;YVIWSSFHAQDZGG-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121253;MM121253;N=C(N)CCC1CO1;GZEAKYPDWWGZHF-UHFFFAOYSA-N;114.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121254;MM121254;C=CC(O)(C#N)CN1CC1;FSQGFXNYDSBOKS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121255;MM121255;CCc1ccn(O)c(=O)n1;HNFWXEBYKMMDJI-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121256;MM121256;C=C(F)CCC1CO1;XGQWZWQQKOPHSY-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121257;MM121257;CC(=N)NCC1CO1;MOZXTNQGMKBHDU-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121258;MM121258;CC(=O)NCC1CO1;HBTVZPMDLRPWKZ-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121259;MM121259;N=C(N)NCC1CO1;LSEATUUHIXLVSA-UHFFFAOYSA-N;115.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121260;MM121260;NC(=O)NCC1CO1;NVZCJJITFYLTRV-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121261;MM121261;C=C(C)OCC1CO1;VJRVYLRYHDIJAX-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121262;MM121262;CC(=O)OCC1CO1;JKXONPYJVWEAEL-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121263;MM121263;N=C(N)OCC1CO1;FSSKMJRKJPLKRE-UHFFFAOYSA-N;116.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121264;MM121264;NC(=O)OCC1CO1;XHVLHQYXDRREHR-UHFFFAOYSA-N;117.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121265;MM121265;NNC(=O)NC=NCCF;UAOLIMMSWRMNTF-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121266;MM121266;N=C(N)CCN1CC1;KARDAEBRAFANOE-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121267;MM121267;C=C(F)CCN1CC1;AFHNVJFTQNPUEX-UHFFFAOYSA-N;115.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121268;MM121268;CC(C)C=CC1CC1;BXIJTSDWZKGHKL-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121269;MM121269;CC(N)C=CC1CC1;QPFWDPLADRJIKJ-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121270;MM121270;CN=CN=CNC(=O)NC;KCKOPHXXNJJJAM-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121271;MM121271;CC(F)C=CC1CC1;PPKKASLGCJTOJZ-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121272;MM121272;FC(F)C=CC1CC1;RHCUMJJOPRGNRY-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121273;MM121273;CN(C)N=CC1CC1;IFJIDXXGZXKDKC-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121274;MM121274;CN(C)C=NC1CC1;JFYWHBZEBPYEPZ-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121275;MM121275;CN(N)C=NC1CC1;USXBRNUKARHGTJ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121276;MM121276;CC(N)C=CC1CN1;IETXBSILHPORGY-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121277;MM121277;CN(C)N=CC1CN1;VJBLQDJQBIXTMD-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121278;MM121278;CC(C)C=CC1CO1;QLMGFBBRCLWLND-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121279;MM121279;CC(N)C=CC1CO1;GQJITQHTWGKWOM-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121280;MM121280;CC(O)C=CC1CO1;YYFFFQBSIUADQR-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121281;MM121281;CC(F)C=CC1CO1;LROJKPLZHITUQM-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121282;MM121282;FC(F)C=CC1CO1;ZYXCQDPUIQWHQJ-UHFFFAOYSA-N;120.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121283;MM121283;CN(C)N=CC1CO1;KEIUVDJELZNMDI-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121284;MM121284;CC(C)N=CN1CC1;RGURUSSJHXKTKX-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121285;MM121285;CC(C)C=NN1CC1;HVIHWOCBIJMFSN-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121286;MM121286;C#Cc1nc(N)n(O)c1C;LCPAWKQIAZVRLN-UHFFFAOYSA-N;137.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121287;MM121287;COC(=NO)NCC=NN;PLOFZNAFKRNQBD-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121288;MM121288;CNC(=NO)OCC=NN;YTSYQQLHJXMNIP-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121289;MM121289;CN(C)C=NN1CC1;BPQMBTTUILGAGC-UHFFFAOYSA-N;113.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121290;MM121290;C=CC(CC=CCC)=NO;YXMCELCNIQRKBR-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121291;MM121291;C=C(C)C=CC1CC1;QUFHGCZAZLDMHH-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121292;MM121292;CC(=O)C=CC1CC1;AKBUQKWXWWDVNF-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121293;MM121293;N=C(N)C=CC1CC1;OESRXLFBXIUXSM-UHFFFAOYSA-N;110.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121294;MM121294;N=CNC(=O)C(=CN)CF;HQYCPXLIKWINSD-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121295;MM121295;O=C(O)C=CC1CC1;OTZXZTJDUFZCNC-UHFFFAOYSA-N;112.13;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121296;MM121296;C=C(F)C=CC1CC1;JJUJFVOZAZKFTE-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121297;MM121297;N=C(N)C=CC1CN1;UJVXRFCYNZKPHM-UHFFFAOYSA-N;111.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121298;MM121298;C=C(C)C=CC1CO1;TTZNODLREVBTBB-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121299;MM121299;CC(=O)C=CC1CO1;ZHMHJXZLMFTARM-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121300;MM121300;N=C(N)C=CC1CO1;JDZFPHCBDOKBCB-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121301;MM121301;C=C(C)c1cnc(CO)[nH]1;YHMSDDXDXHTHBW-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121302;MM121302;Cc1occ(O)c1F;XPEBKGDDMRTLIX-UHFFFAOYSA-N;116.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121303;MM121303;C=C(F)C=CC1CO1;BQSYFRIJHFOCER-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121304;MM121304;CC(=O)C=CN1CC1;HSUGRBKJYWUFFK-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121305;MM121305;N=C(N)C=CN1CC1;IVPFOZODRBXMNW-UHFFFAOYSA-N;111.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121306;MM121306;CC#CC1=NNC(=NC)C1;FIXRPABQJSCUMJ-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121307;MM121307;CCc1nc(O)c(O)o1;FGHXFFCXRLPEME-UHFFFAOYSA-N;129.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121308;MM121308;CC#CC1=NOC(=O)C1N;HKZDNQFUIMQZFR-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121309;MM121309;N=C(N)N=CN1CC1;UELVEIQSPMABQL-UHFFFAOYSA-N;112.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121310;MM121310;C#CC(C#N)C1NC1C=C;BTMONZXNMQVEPZ-UHFFFAOYSA-N;132.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121311;MM121311;C=C(C)C=NN1CC1;CMFIKXRJHIEAJZ-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121312;MM121312;C=CN(N)C=NO;VCMIVXWACYJREG-UHFFFAOYSA-N;101.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121313;MM121313;N=C(N)C=NN1CC1;WQZIFKHSTRBQSJ-UHFFFAOYSA-N;112.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121314;MM121314;CC1=NN(C)C(=N)C1;HQENFHWUTMHEDP-UHFFFAOYSA-N;111.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121315;MM121315;O=CC(=O)OC(CO)=NO;XSTZNGITYCBRSE-UHFFFAOYSA-N;147.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121316;MM121316;C=C(F)C=NN1CC1;NPONBQWMVFCYAB-UHFFFAOYSA-N;114.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121317;MM121317;CC(C)C#CC1CC1;SDDCCXQMFYVTJP-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121318;MM121318;CC(N)C#CC1CC1;CCNVMTRVJNJSSF-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121319;MM121319;CC(O)C#CC1CC1;LJUCCQPFHZGXPG-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121320;MM121320;CC(F)C#CC1CC1;NCEHFOIYHLHGBI-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121321;MM121321;FC(F)C#CC1CC1;CRDATJJGQPBVFS-UHFFFAOYSA-N;116.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121322;MM121322;CC(C)C#CC1CN1;BQRRLHPBDYEQDD-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121323;MM121323;CC(N)C#CC1CN1;WYEIBXAHOCJRFT-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121324;MM121324;ON=CNC1CC1F;QLZTWQDHLLHDEY-UHFFFAOYSA-N;118.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121325;MM121325;CC(F)C#CC1CN1;VZTVWDPYFMYDMN-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121326;MM121326;C=C(C)C(=N)NC(C)=O;VIYUWGOMFWKFDB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121327;MM121327;CC(C)C#CC1CO1;AHSQDSODCNFPSU-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121328;MM121328;CC(N)C#CC1CO1;KDTLLNDEYMSLOD-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121329;MM121329;CC(O)C#CC1CO1;SOKIQUCSTQRJPO-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121330;MM121330;CC(F)C#CC1CO1;RRLULSMZXGYBJI-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121331;MM121331;FC(F)C#CC1CO1;KCVUXOCBUHPZJI-UHFFFAOYSA-N;118.08;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121332;MM121332;C=C(C)C#CC1CC1;DUYVCKHIMVZVCS-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121333;MM121333;CC(=O)C#CC1CC1;BFNWGEBEOCYOEI-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121334;MM121334;N=C(N)C#CC1CC1;JILRWUUGHUTNHY-UHFFFAOYSA-N;108.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121335;MM121335;NC(=O)C#CC1CC1;FNRUHSLPLOZGEI-UHFFFAOYSA-N;109.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121336;MM121336;O=C(O)C#CC1CC1;IJODLTUIUAZITN-UHFFFAOYSA-N;110.11;0.48;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121337;MM121337;C=C(F)C#CC1CC1;UXZDMRHBYMCPKI-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121338;MM121338;C=C(C)C#CC1CN1;XIAYPSMNQMDVSS-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121339;MM121339;C=C(F)CC(=O)NC=N;UCNZTISRJCTTTJ-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121340;MM121340;N=C(N)C#CC1CN1;RUDQNTPQXOHASL-UHFFFAOYSA-N;109.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121341;MM121341;C#CCC(=O)NC(C)=N;UUOBOATYTSVYHU-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121342;MM121342;COC(=NO)C(C)F;FHIZQZYLGFCRBP-UHFFFAOYSA-N;121.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121343;MM121343;C=C(F)C#CC1CN1;PQPIGPVPAHXPJN-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121344;MM121344;C=C(C)C#CC1CO1;OVVNHKJTMIPQEJ-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121345;MM121345;CC(=O)C#CC1CO1;SZOWTRVYKLDEKG-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121346;MM121346;N=C(N)C#CC1CO1;WSNOMSLEJZCIIY-UHFFFAOYSA-N;110.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121347;MM121347;NC(=O)C#CC1CO1;PQMLGBNUYKEHJE-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121348;MM121348;ON=c1cc(O)n(O)nn1;CPBHPQPEODOHFB-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121349;MM121349;C=C(F)C#CC1CO1;KUNPQNSPHNEDBT-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121350;MM121350;CC(C)=CCC1CC1;VZVDDJOHOIUCIG-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121351;MM121351;CC(F)=CCC1CC1;XLIQVYJYQXHQRH-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121352;MM121352;FC(F)=CCC1CC1;USLPVDVOZVZQOV-UHFFFAOYSA-N;118.13;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121353;MM121353;CC(C)=NNC1CC1;XJVJLRZETVAJEF-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121354;MM121354;CC(C)=COC1CC1;VGQJFSNGKUQTEQ-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121355;MM121355;CC(F)=COC1CC1;KNSILHQTKKMUJD-UHFFFAOYSA-N;116.14;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121356;MM121356;FC(F)=COC1CC1;UITBEJGDSNBZPO-UHFFFAOYSA-N;120.1;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121357;MM121357;CC(C)=NOC1CC1;GPCSDNOZVMQLDH-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121358;MM121358;CC(C)=CCC1CO1;PSWRWVCPVWBJIS-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121359;MM121359;CC(F)=CCC1CO1;QEKJMIYAZSAOIH-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121360;MM121360;FC(F)=CCC1CO1;YEDXKKLOCDZTGW-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121361;MM121361;CC(C)=CCN1CC1;NWTZUMIHGJYHDH-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121362;MM121362;CC(F)=CCN1CC1;SUUHWTMQZWAJNY-UHFFFAOYSA-N;115.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121363;MM121363;FC(F)=CCN1CC1;ODTNPAVIXHWZKL-UHFFFAOYSA-N;119.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121364;MM121364;CCC12CCC(C1)C2;NKCZKQHMWOFUMI-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121365;MM121365;NCC12CCC(C1)C2;RBHITPFJQKEXGN-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121366;MM121366;C=CC(=NC)NC(C)=O;PCWXIAXBXMYOSW-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121367;MM121367;FCC12CCC(C1)C2;YUNAZRZWNNUAFR-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121368;MM121368;CNC12CCC(C1)C2;CQFVHWRCPQAUAQ-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121369;MM121369;COC12CCC(C1)C2;SYODVSIXHHMLDQ-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121370;MM121370;CCC12CNC(C1)C2;IVVZSPYNYJUCAU-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121371;MM121371;NCC12CNC(C1)C2;AYJZVOMHJWIDID-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121372;MM121372;OCC12CNC(C1)C2;IXXBUEAWNGTYSS-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121373;MM121373;FCC12CNC(C1)C2;KVIXOIWQWHYBIW-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121374;MM121374;CNC12CNC(C1)C2;JPULLYBFZBZJDQ-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121375;MM121375;COC12CNC(C1)C2;GGTRPCOOMSVVMG-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121376;MM121376;CCC12COC(C1)C2;AKXVQFUARGWXOC-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121377;MM121377;NCC12COC(C1)C2;NVHRHGWRVNFFIB-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121378;MM121378;OCC12COC(C1)C2;XUGXUXSPPQRDSO-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121379;MM121379;FCC12COC(C1)C2;CFKGKSMBIZWYFN-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121380;MM121380;CNC12COC(C1)C2;JWASZRQBBALHFX-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121381;MM121381;COC12COC(C1)C2;JEWKTUNZKBHQHQ-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121382;MM121382;CCC12CC(CN1)C2;PLQYESMGPNVLKO-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121383;MM121383;NCC12CC(CN1)C2;YULGKMGUXUYLHL-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121384;MM121384;OCC12CC(CN1)C2;TWQMJAQGXUVGOA-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121385;MM121385;CCC12CC(CO1)C2;GOCGRYJRTKKVFQ-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121386;MM121386;NCC12CC(CO1)C2;PNBUAUKWRXPJFK-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121387;MM121387;OCC12CC(CO1)C2;DISAAIHTGSBMRS-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121388;MM121388;FCC12CC(CO1)C2;ICAXFQZGYPCAQJ-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121389;MM121389;COC12CC(CO1)C2;LZEDRIALMNZGRV-UHFFFAOYSA-N;114.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121390;MM121390;CCC12CCC(C1)N2;SUYNJMVLTGMBRM-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121391;MM121391;NCC12CCC(C1)N2;AGMHAHUPXSKCHI-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121392;MM121392;OCC12CCC(C1)N2;WUJXDEAGXYNPTB-UHFFFAOYSA-N;113.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121393;MM121393;FCC12CCC(C1)N2;RKTYKRKEAKRVGJ-UHFFFAOYSA-N;115.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121394;MM121394;CCC12CCC(C1)O2;MZNFACPBEAKTHQ-UHFFFAOYSA-N;112.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121395;MM121395;NCC12CCC(C1)O2;UQAMZMXFGXUXDL-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121396;MM121396;OCC12CCC(C1)O2;DJHIOPJBIHUYPA-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121397;MM121397;FCC12CCC(C1)O2;MLMHPFJCWVXLBV-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121398;MM121398;NCC12CCN(C1)C2;WIVRBJJLXQQONV-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121399;MM121399;CNC12CCN(C1)C2;CTQTVRVKXFZGSK-UHFFFAOYSA-N;112.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121400;MM121400;C=CC12CCC(C1)C2;FCABPVMHQJYIIJ-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121401;MM121401;N#CC12CCC(C1)C2;HHYHPOSGMYFMOR-UHFFFAOYSA-N;107.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121402;MM121402;C=CC12CNC(C1)C2;KOAPFTSOBFITFE-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121403;MM121403;O=CC12CNC(C1)C2;ZCOOGMLKECBDDK-UHFFFAOYSA-N;111.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121404;MM121404;C=CC12COC(C1)C2;DWYDKFCCVZFQIN-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121405;MM121405;O=CC12COC(C1)C2;JUCGRAFNXFRISG-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121406;MM121406;N#CC12COC(C1)C2;MZYKWRCGZOUDGA-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121407;MM121407;C=CC12CC(CN1)C2;JJIRKSKTGLZXPW-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121408;MM121408;O=CC12CC(CN1)C2;WMONCMALTHPRDF-UHFFFAOYSA-N;111.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121409;MM121409;C=CC12CC(CO1)C2;ATYDRJOONIDKLB-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121410;MM121410;O=CC12CC(CO1)C2;RYEDVGRYURMGNF-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121411;MM121411;N#CC12CC(CO1)C2;JNQJDWVBOFUFQW-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121412;MM121412;C=CC12CCC(C1)N2;QENQXCMTRZOWPF-UHFFFAOYSA-N;109.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121413;MM121413;O=CC12CCC(C1)N2;NVUFQLVNSWKLRY-UHFFFAOYSA-N;111.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121414;MM121414;N#CC12CCC(C1)N2;BFCZQPIOZUFTNH-UHFFFAOYSA-N;108.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121415;MM121415;C=CC12CCC(C1)O2;KEXRODAUWNOCAK-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121416;MM121416;O=CC12CCC(C1)O2;VRHWKOZZDFTAOB-UHFFFAOYSA-N;112.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121417;MM121417;N#CC12CCC(C1)O2;MDGDRVFLRSVXTK-UHFFFAOYSA-N;109.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121418;MM121418;C#CC12COC(C1)C2;CPWRWUZZNUGHPJ-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121419;MM121419;C#CC12CCC(C1)N2;XRGITHCVEAXKLC-UHFFFAOYSA-N;107.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121420;MM121420;C#CC12CCC(C1)O2;ZGWJZSJEDVKWEA-UHFFFAOYSA-N;108.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121421;MM121421;CCC12C=CC(C1)C2;TYHWASMUQDGHLD-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121422;MM121422;NCC12C=CC(C1)C2;CHONGYASLPSMMI-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121423;MM121423;CN=C(N)C(=O)NC=O;CQNJYMUNQDAAMI-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121424;MM121424;FCC12C=CC(C1)C2;YYKDSWRPRXVMDY-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121425;MM121425;CNC12C=CC(C1)C2;ZWHQJRDFVFXPEC-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121426;MM121426;COC12C=CC(C1)C2;RHJACBRWUMKWJY-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121427;MM121427;CCC12C=CC(C1)N2;MNCFDDXDJGKLKR-UHFFFAOYSA-N;109.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121428;MM121428;NCC12C=CC(C1)N2;XXYOTPUFRDYPNI-UHFFFAOYSA-N;110.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121429;MM121429;CCC12C=CC(C1)O2;CLWWJWLIZWUSAM-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121430;MM121430;NCC12C=CC(C1)O2;XORCUGYNNXVLNZ-UHFFFAOYSA-N;111.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121431;MM121431;OCC12C=CC(C1)O2;LOOVVEXGTBRLHH-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121432;MM121432;FCC12C=CC(C1)O2;PMVINHSMTVCCSO-UHFFFAOYSA-N;114.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121433;MM121433;C=CC12C=CC(C1)C2;LCPJKJHGWSPPNX-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121434;MM121434;O=CC12C=CC(C1)C2;AGSRWTFYQALFAY-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121435;MM121435;N#CC12C=CC(C1)C2;LAUGYMGZTMVHLG-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121436;MM121436;N#CC12C=CC(C1)N2;PJRXQJOCLWYLLE-UHFFFAOYSA-N;106.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121437;MM121437;C=CC12C=CC(C1)O2;FIGNXXWPCWSUIH-UHFFFAOYSA-N;108.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121438;MM121438;O=CC12C=CC(C1)O2;IPUOPWATHORSQF-UHFFFAOYSA-N;110.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121439;MM121439;N#CC12C=CC(C1)O2;POHGIUYINSLQAA-UHFFFAOYSA-N;107.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121440;MM121440;C#CC12C=CC(C1)C2;KYFYJYFQAPQWKT-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121441;MM121441;C#CC12C=CC(C1)O2;BEIRTHMONXRPTA-UHFFFAOYSA-N;106.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121442;MM121442;CC1(C)CC1C1CC1;AZEQBOFBRYOZAP-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121443;MM121443;CC1(N)CC1C1CC1;CNTOMJCLBYNTDT-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121444;MM121444;C=CC(=NC=N)NC=O;RGXHMSIBAVULPN-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121445;MM121445;CC1(F)CC1C1CC1;ZWLYBZPBSBDXML-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121446;MM121446;FC1(F)CC1C1CC1;YRERKLRKSJPXHD-UHFFFAOYSA-N;118.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121447;MM121447;CC1(N)CC1C1CN1;ALGLPWMNBPAPGV-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121448;MM121448;CC1(C)CC1C1CO1;VDSHXHQTNZCWQR-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121449;MM121449;CC1(N)CC1C1CO1;GCONXLCLTLGFSU-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121450;MM121450;CC1(O)CC1C1CO1;UKEICBKYQOZMPJ-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121451;MM121451;CC1(F)CC1C1CO1;XRYKIBJCERMNJT-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121452;MM121452;FC1(F)CC1C1CO1;OEMZKZDCMPWLJW-UHFFFAOYSA-N;120.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121453;MM121453;CC1(C)OC1C1CC1;NDYWAYIRUCLIJG-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121454;MM121454;CC1(C)OC1C1CO1;FDDGOGDPXOWSQL-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121455;MM121455;CC1(N)CC1N1CC1;KLXBXXJUSVNDPE-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121456;MM121456;Cc1nc(C)n(C)c1O;VXJIZGLWQANIIR-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121457;MM121457;CC1(F)CC1N1CC1;IMRKSGDALOFHOS-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121458;MM121458;FC1(F)CC1N1CC1;AYZHOTKPUBGCKW-UHFFFAOYSA-N;119.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121459;MM121459;CC1CC1C1(C)CC1;PNIRAYXKWODYDG-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121460;MM121460;CC1(C2CC2N)CC1;NVVOMTOYHKTDRZ-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121461;MM121461;CCNc1nnc(N)[nH]1;INXLBBMSXGKPRE-UHFFFAOYSA-N;127.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121462;MM121462;CC1(C2CC2F)CC1;AOPOODAENLUPMR-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121463;MM121463;CC1CC1C1(N)CC1;DEFPOGNHVHFSOP-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121464;MM121464;NC1CC1C1(N)CC1;CDXCSCVVFINSCL-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121465;MM121465;NC1(C2CC2O)CC1;JLPVRTXTBJIVHJ-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121466;MM121466;NC1(C2CC2F)CC1;UIGHMIITIOFZNR-UHFFFAOYSA-N;115.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121467;MM121467;CCC(=O)C(C#N)NC;DMWZMPVYBRJYDG-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121468;MM121468;NC1CC1C1(O)CC1;JDDRFXCSNNRSIY-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121469;MM121469;OC1CC1C1(O)CC1;UCQKMEDAAZNIDF-UHFFFAOYSA-N;114.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121470;MM121470;OC1(C2CC2F)CC1;YFROXBPJSGKDFL-UHFFFAOYSA-N;116.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121471;MM121471;CC1CC1C1(F)CC1;JIHAFGVAZRLPMJ-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121472;MM121472;NC1CC1C1(F)CC1;NZEVGRKRZRHEHX-UHFFFAOYSA-N;115.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121473;MM121473;OC1CC1C1(F)CC1;BOLFIFKRXSIQAA-UHFFFAOYSA-N;116.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121474;MM121474;FC1CC1C1(F)CC1;ULYMOQPPBJRVNF-UHFFFAOYSA-N;118.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121475;MM121475;CC1(C2CC2N)CN1;DSXXVWGHXSRSQP-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121476;MM121476;CC1CC1C1(C)CO1;VXJRKNPYVWQQBB-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121477;MM121477;CC1(C2CC2N)CO1;HOVIBXBCIOBNMW-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121478;MM121478;CC1(C2CC2O)CO1;KGRCIOYTCQJYOP-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121479;MM121479;CC1(C2CC2F)CO1;UYOZRFWFMFYWSE-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121480;MM121480;CC1NC1C1(N)CC1;VFQXVKZGQYMXSF-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121481;MM121481;CC1NC1C1(F)CC1;FJBXECMQLGIMPH-UHFFFAOYSA-N;115.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121482;MM121482;CC1OC1C1(C)CC1;KURVZYANEXUDOW-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121483;MM121483;CC1OC1C1(N)CC1;KDDQWDRSZRCSHW-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121484;MM121484;CC1OC1C1(O)CC1;QCBYEICLJZBVPR-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121485;MM121485;CC1OC1C1(F)CC1;GMEGZCDNIDTOTK-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121486;MM121486;CC1OC1C1(C)CO1;LUKRJGJGHVCVSV-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121487;MM121487;CN1CC1C1(N)CC1;HKTVTFCOAYREQI-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121488;MM121488;N#CC#Cc1ncc[nH]1;AUFZWOOMMZRBSC-UHFFFAOYSA-N;117.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121489;MM121489;CN1CC1C1(F)CC1;HNPSIOBPMJZYNG-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121490;MM121490;CN1CC1C1(C)CO1;CCDFYXIAHHIBRC-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121491;MM121491;CC1(CC2CC2)CC1;DYIGSOOHRXOBCZ-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121492;MM121492;NC1(CC2CC2)CC1;RUIILYBRDBGZKG-UHFFFAOYSA-N;111.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121493;MM121493;CC1C2CC(=NO)NC12;VDULPVPBXISIJR-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121494;MM121494;FC1(CC2CC2)CC1;LMHCJTDOZADRNG-UHFFFAOYSA-N;114.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121495;MM121495;CC1(NC2CC2)CC1;XCHPXGNYHIQPAB-UHFFFAOYSA-N;111.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121496;MM121496;CC1(OC2CC2)CC1;CEZOKHUKWMERDN-UHFFFAOYSA-N;112.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121497;MM121497;NC1(CC2CN2)CC1;NJHHTNXGFIXLQH-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121498;MM121498;CC1(CC2CO2)CC1;DRIGFSZBSQYJJG-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121499;MM121499;NC1(CC2CO2)CC1;SUJFQPUYJDBQSV-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121500;MM121500;OC1(CC2CO2)CC1;RQTADSDYZJSYFB-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121501;MM121501;FC1(CC2CO2)CC1;UHCBJSYAXKVGBA-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121502;MM121502;CC1(CC2CC2)CO1;VSIKYXNPFFSTTF-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121503;MM121503;CC1(CC2CO2)CO1;NVTVNBJOQXLQQT-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121504;MM121504;NC1(CN2CC2)CC1;LDUJMUQYTKBUMY-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121505;MM121505;FC1(CN2CC2)CC1;NFLJONZDNCDXMG-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121506;MM121506;CC1(CN2CC2)CO1;WVUXOQMUSDEHRE-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121507;MM121507;CC1(C2(C)CC2)CC1;UEKMEJJABUQZMZ-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121508;MM121508;CC1(C2(N)CC2)CC1;MOPZTANIEGEZHX-UHFFFAOYSA-N;111.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121509;MM121509;CC(C)(C)OC(=NO)NN;YHSMZWFWNNXBHI-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121510;MM121510;CC1(C2(F)CC2)CC1;ARPJVIDSXAYLLR-UHFFFAOYSA-N;114.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121511;MM121511;NC1(C2(N)CC2)CC1;YMIPMCJZSRDNAV-UHFFFAOYSA-N;112.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121512;MM121512;NC1(C2(O)CC2)CC1;YEILEHYTSHLPAS-UHFFFAOYSA-N;113.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121513;MM121513;NC1(C2(F)CC2)CC1;JXNHMPOEUFLZJW-UHFFFAOYSA-N;115.15;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121514;MM121514;OC1(C2(O)CC2)CC1;GWCBORIQVSKBKF-UHFFFAOYSA-N;114.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121515;MM121515;CC1(C2(N)CC2)CN1;HICKNZHUTQRKPR-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121516;MM121516;CC1(C2(F)CC2)CN1;ZPVXGRUXUBUETF-UHFFFAOYSA-N;115.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121517;MM121517;CC1(C2(C)CO2)CC1;XZWCLSKPAMEDOZ-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121518;MM121518;CC1(C2(N)CC2)CO1;MGFHMKQSERBOML-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121519;MM121519;CC1(C2(O)CC2)CO1;NGEKWBXNXRZAIY-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121520;MM121520;CC1(C2(F)CC2)CO1;FTEZSRZQRPAQDU-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121521;MM121521;CC1(C2(C)CO2)CO1;UDJZIOLNSUTXIK-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121522;MM121522;CCC1CC(C)C1C;KISTZPYVQJRJOU-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121523;MM121523;CC1CC(CN)C1C;XUTWORDVJHBKTN-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121524;MM121524;CCC(=O)NC(=O)N(C)N;HNGJAMSWVMKOQL-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121525;MM121525;CC1CC(CF)C1C;NZCVMRQUTRZOQK-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121526;MM121526;CCC1CC(N)C1C;DWIWTEXWIOEHNT-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121527;MM121527;CC1C(N)CC1CN;MGINDBOIUWMMDP-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121528;MM121528;CC1C(N)CC1CO;BSNNWLHSZSFFQX-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121529;MM121529;CC1C(N)CC1CF;VVYLSRBAHSJJNR-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121530;MM121530;N=C(CO)N=CNC(N)=O;XILHZWYVCJXKCV-UHFFFAOYSA-N;144.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121531;MM121531;CC1C(O)CC1CN;LBKNJMFWOMBTGB-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121532;MM121532;CC1C(O)CC1CO;RYXQLZHHHKNGKW-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121533;MM121533;CC1C(O)CC1CF;IWSHXCOLFSZTHS-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121534;MM121534;CC1C(F)CC1CN;RJLSONNHRWZLSA-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121535;MM121535;CC1C(F)CC1CF;DKHYERZGXYJBHU-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121536;MM121536;CCC1CC(C)C1N;FLFHPFBOWIUKJY-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121537;MM121537;CC1CC(CN)C1N;XOHFIHMERVSHCB-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121538;MM121538;CC1CC(CO)C1N;WPQKVUOYVHTXBE-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121539;MM121539;CCC1CC(N)C1N;FPYGLMKJHZJESL-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121540;MM121540;NCC1CC(N)C1N;LQQSXNQPAQIQRU-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121541;MM121541;NC1CC(CO)C1N;CGKCZGVGFCUTGH-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121542;MM121542;NCC1CC(O)C1N;FYQBLFDAYZRYGW-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121543;MM121543;NC1C(O)CC1CO;DWKKQYKVHJSOJK-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121544;MM121544;NC1C(O)CC1CF;DBSJTICPIDPNBW-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121545;MM121545;CCC1CC(F)C1N;HTWIQNQINUWZPB-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121546;MM121546;NCC1CC(F)C1N;WWRDULRANFLZEB-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121547;MM121547;NC1C(F)CC1CO;ZUBSQHGZZDLWDB-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121548;MM121548;CC1CC(CO)C1O;HIWJNFPIHLHZHM-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121549;MM121549;CCC1CC(O)C1O;ZKDRILDNFHGHFS-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121550;MM121550;OC1CC(CF)C1O;FHCWQOBNYLQIOR-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121551;MM121551;CCC1CC(F)C1O;SHTASIOESBHBDY-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121552;MM121552;CCC1CC(C)C1F;CSOZIDKABJWZCU-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121553;MM121553;CCC1CC(N)C1F;VLHYNVLOIMICGV-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121554;MM121554;NCC1CC(N)C1F;CFNDRFWZHRXYCY-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121555;MM121555;NCC1CC(O)C1F;GLYGXHULZSRLIV-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121556;MM121556;NCC1CC(F)C1F;KKEACSQXQVJFHW-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121557;MM121557;OCC1CC(F)C1F;JHSVUNVVHQJHSR-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121558;MM121558;CNC1CC(O)C1C;VETUFYSYVLBFOL-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121559;MM121559;CNC1CC(F)C1C;RNGPXPCGKORDOK-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121560;MM121560;CNC1CC(C)C1N;SUHUMDDDQMBVPT-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121561;MM121561;CNC1CC(N)C1N;QZSGEGZVDBKILI-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121562;MM121562;CNC1CC(O)C1N;APLKAHNNYOWSFB-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121563;MM121563;CNC1CC(C)C1O;ZQWHXVIPYSOKMR-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121564;MM121564;CNC1CC(F)C1O;PHGTVLKJDXJXKN-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121565;MM121565;CNC1CC(C)C1F;KVSXPWFEBCAAFQ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121566;MM121566;COC1CC(C)C1C;WAPYRSIPIZXIRU-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121567;MM121567;COC1CC(O)C1C;CZOVXAMZLPMWQT-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121568;MM121568;COC1CC(F)C1C;ZWVDINQQJYHGHQ-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121569;MM121569;COC1CC(O)C1N;HHMUSBUVSRKTLP-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121570;MM121570;CCC1NC(C)C1C;IPQDDJODVNHZSA-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121571;MM121571;CC1NC(CN)C1C;IPZDMIHLTFNFMD-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121572;MM121572;CC1NC(CO)C1C;HBQKUYKBMDMQHZ-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121573;MM121573;CCC1NC(C)C1N;PZAQKKIMWIAAFN-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121574;MM121574;CC1NC(CO)C1N;QVGTYLIOUCLCSX-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121575;MM121575;CCC1NC(C)C1O;QSYOFAYGPUQFDF-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121576;MM121576;CCC1OC(C)C1C;BADKXMRJXUEOBU-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121577;MM121577;CC1OC(CN)C1C;VAFJEWVRBQCRRB-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121578;MM121578;CC1OC(CF)C1C;GAUULBWFSXVXBI-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121579;MM121579;CC1OC(CN)C1N;WQLXPUMJCCYJJN-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121580;MM121580;CC1OC(CN)C1O;YNXWEPOMGTXMHA-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121581;MM121581;CCC1OC(C)C1F;JPOABLFBMDLQNX-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121582;MM121582;CCC1CN(C)C1C;SEVLEPOUPJVCPH-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121583;MM121583;CC1C(CN)CN1C;HCBNTYYQKUAUDM-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121584;MM121584;CC1C(CO)CN1C;OKGIAJQZVXVUBE-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121585;MM121585;CNC1CN(C)C1C;LOBNVPBTQYPQNH-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121586;MM121586;CCC1CC(C)N1C;CISKHLXVWHLCDQ-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121587;MM121587;CC1CC(CN)N1C;WZVMPXXBWPONRF-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121588;MM121588;CC1CC(CO)N1C;XDHHUQRRGCJVIB-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121589;MM121589;CCN1CC(C)C1C;ABDVHEFWYPAAJL-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121590;MM121590;CCN1CC(N)C1C;PSNBPQHNUZUVCJ-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121591;MM121591;C=CC1CC(C)C1C;ALMSQGCRIQEOQO-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121592;MM121592;CC1CC(C#N)C1C;BUKYTHKRXGFLHF-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121593;MM121593;C=CC1CC(N)C1C;QIGFQQRPBYDYKS-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121594;MM121594;COC(=N)N=CNC(C)=O;BLWRNTVLMLMOGL-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121595;MM121595;CC1C(O)CC1C=O;CVCVAUDVNGGKAD-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121596;MM121596;CC1C(O)CC1C#N;KTMLNOQYILUXCE-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121597;MM121597;C=CC1CC(F)C1C;RZNPMDBARGEJRT-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121598;MM121598;CC1C(F)CC1C=O;CNDGRKQXFWTIIG-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121599;MM121599;CC1C(F)CC1C#N;PIKLUFHNVIQRTB-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121600;MM121600;C=CC1CC(C)C1N;XGIPGKYRNZJXJS-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121601;MM121601;C=CC1CC(O)C1N;OZKSAWYIDMRTDZ-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121602;MM121602;C=CC1CC(F)C1N;KYKCPUOIPRECDY-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121603;MM121603;CC1CC(C#N)C1O;VTXAWYSBPVIUIJ-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121604;MM121604;C=CC1CC(N)C1O;DBMYDEYJMIJMOO-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121605;MM121605;C=CC1CC(O)C1O;MKRUUMZEHKSHEK-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121606;MM121606;O=CC1CC(O)C1O;DRTGYUWPPDXDGJ-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121607;MM121607;N#CC1CC(F)C1O;DIWXFVIUWOGVBA-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121608;MM121608;CC1CC(C#N)C1F;SDYMAPQQJJHDNF-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121609;MM121609;C=CC1CC(N)C1F;NGQAQDRMVKIXAL-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121610;MM121610;CC1NC(C=O)C1C;RXEAZCYLRBVIOR-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121611;MM121611;CC1NC(C#N)C1C;DVRNNAOETBTDIK-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121612;MM121612;C=CC1NC(C)C1N;ILOBYMWZFMJUMR-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121613;MM121613;CC1OC(C=O)C1C;WPBPHJZLOUGZRV-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121614;MM121614;CC1OC(C#N)C1C;OVINXJYZTQDJGT-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121615;MM121615;C=CC1OC(C)C1N;PHDZZGCCLDMUOX-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121616;MM121616;C=CC1CN(C)C1C;RPTDWTZUBGITIY-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121617;MM121617;CC1C(C#N)CN1C;LTGCKYRMEUZXTH-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121618;MM121618;C=CC1CC(C)N1C;XPHGEVXIPVINGE-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121619;MM121619;CC1CN(C=N)C1C;MAPDAFNKIWHLTA-UHFFFAOYSA-N;112.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121620;MM121620;CC1CN(C=O)C1C;ZELNRBWLQXYROK-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121621;MM121621;CC1C(N)CN1C=N;ZQTUETKMYIGEEW-UHFFFAOYSA-N;113.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121622;MM121622;CC1C(N)CN1C=O;UDEVWGBPARPYFK-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121623;MM121623;CC1C(O)CN1C=N;MAIMJZLZYGSLMK-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121624;MM121624;CC1C(O)CN1C=O;UIWLCYCOGCRPEQ-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121625;MM121625;CC1C(F)CN1C=N;FTEIFPZKIWROGX-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121626;MM121626;CC1C(F)CN1C=O;DMQXJAXDAYVTKX-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121627;MM121627;C=NN1CC(C)C1C;CZOCDGYTGIUZBB-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121628;MM121628;C=NN1CC(N)C1C;COKOWTAUJBGZBL-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121629;MM121629;COC(=N)N=C(C)NC=O;FZWDKZRRQRXFBV-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121630;MM121630;C=NN1CC(F)C1C;UVBVOBSFQKMWEL-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121631;MM121631;C#CC1CC(C)C1C;GBEPAWVDSKIBSK-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121632;MM121632;C#CC1CC(N)C1C;AMPTVAVMQFJHBH-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121633;MM121633;C#CCC(C)C=CC=NO;NKOYDWWVDZKZRH-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121634;MM121634;C#CC1CC(F)C1C;DOTAEOOSWCXPRX-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121635;MM121635;C#CC1CC(C)C1N;CBQJFQNCLQZIJK-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121636;MM121636;C#CC1CC(N)C1N;BLMLMFIEJYVKDO-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121637;MM121637;C#CC1CC(O)C1N;KUSJSXHLAWYABI-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121638;MM121638;C#CC1CC(F)C1N;GYRUWYZZWDRTES-UHFFFAOYSA-N;113.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121639;MM121639;CNNC(=O)C(O)C=NN;ZUCBQMVRKYEPGL-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121640;MM121640;C#CC1CC(N)C1O;CFLWWPLQORMAIP-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121641;MM121641;C#CC1CC(O)C1O;HWMMCDJJMZGVIR-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121642;MM121642;C#CC1CC(F)C1O;UUYDBVFSPXUWKW-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121643;MM121643;C#CC1CC(N)C1F;MVEAHCYQKWLSTN-UHFFFAOYSA-N;113.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121644;MM121644;C#CC1CC(F)C1F;GSEBGTTUOSYLOY-UHFFFAOYSA-N;116.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121645;MM121645;C#CC1NC(C)C1C;PZPYHUDEUXNUFM-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121646;MM121646;C#CC1NC(C)C1N;CXUYMYDVEVWTQP-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121647;MM121647;C#CC1OC(C)C1C;MBZZHONASXSYMJ-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121648;MM121648;C#CC1OC(C)C1N;LAHYMRUMWRXRFS-UHFFFAOYSA-N;111.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121649;MM121649;CCC1CC(=O)C1C;HPHCNZMGUJXCGJ-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121650;MM121650;CC1C(=O)NC1CN;VHPSCEFKURMLIM-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121651;MM121651;CC1C(=O)NC1CO;AHSWPKLAQXIXKO-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121652;MM121652;CC1C(=O)NC1CF;HCEYBGGOYINMPB-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121653;MM121653;NCC1NC(=O)C1N;XWMXAUQIORDQFP-UHFFFAOYSA-N;115.14;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121654;MM121654;NCC1NC(=O)C1O;SYUHZFFKSBNBBL-UHFFFAOYSA-N;116.12;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121655;MM121655;NCC1NC(=O)C1F;DABZTMHJVLRMLP-UHFFFAOYSA-N;118.11;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121656;MM121656;CCC1OC(=O)C1F;BBZDBLONKSGRKE-UHFFFAOYSA-N;118.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121657;MM121657;CCC1CC(=O)N1C;OCBRTFOAOOVWGX-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121658;MM121658;CN1C(=O)CC1CN;VZSYLQDOVDWCAA-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121659;MM121659;CN1C(=O)CC1CO;SOCPABMUBHEGAW-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121660;MM121660;CCC1CC(=O)N1N;OFAAAPHBLMANQP-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121661;MM121661;C=CC(=NO)C(C)=C(N)N;VSNKRGBDXXPMQL-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121662;MM121662;CC1C(=O)CC1C#N;QDGVEFSHVYXOEH-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121663;MM121663;C=CC1CC(=O)C1O;QJDWMLURMXEEJC-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121664;MM121664;CC1C(=O)NC1C=O;SZIDMKCFBZHWHC-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121665;MM121665;CC1C(=O)NC1C#N;RMJGUQXJOGHRGG-UHFFFAOYSA-N;110.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121666;MM121666;C=CC1NC(=O)C1O;PONJXLGSVCTVOT-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121667;MM121667;CC1C(=O)OC1C=O;ZFQYVXXAAURFND-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121668;MM121668;C=CC1OC(=O)C1N;OFSZPKUIXLOCBK-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121669;MM121669;C=CC1OC(=O)C1O;UVZUFWNEZQCWRC-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121670;MM121670;O=CC1OC(=O)C1O;PEAHZUBIOPCIKF-UHFFFAOYSA-N;116.07;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121671;MM121671;N#CC1OC(=O)C1F;PWCRPBAIYHXCIG-UHFFFAOYSA-N;115.06;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121672;MM121672;C=CC1CC(=O)N1C;WXLQTNTUZDCKMP-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121673;MM121673;CN1C(=O)CC1C=O;SAUDIKMKWRFVPA-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121674;MM121674;CN1C(=O)CC1C#N;OFNPXBCYCUZJDJ-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121675;MM121675;C=CC1CC(=O)N1N;DOIPOFBQXWBSPP-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121676;MM121676;CC1C(=O)CN1C=N;AINMQLNHGPEEBX-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121677;MM121677;C=CC(C=C)=CC(C)=NO;SBXMWOKQBJMMBG-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121678;MM121678;C=C(CC=NN)C(C)=NO;KVJMOOXLHZHBOM-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121679;MM121679;C#CC1CC(=O)C1C;IIQXQVKTPUTHKE-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121680;MM121680;C#CC1NC(=O)C1O;RGZBLEUISATADP-UHFFFAOYSA-N;111.1;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121681;MM121681;C#CC1OC(=O)C1N;CRBWCXUCXALZRF-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121682;MM121682;C#CC1OC(=O)C1F;ULPHFHXVMVTXCS-UHFFFAOYSA-N;114.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121683;MM121683;C#CC1CC(=O)N1C;YFXUUVHZXCVCGO-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121684;MM121684;CCCN=C(C=NO)NN;FYJDWHVYYBTRMS-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121685;MM121685;CCC1CC(C)C1=O;HIBKMNUIFNOBGT-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121686;MM121686;CC1CC(CO)C1=O;CEEXLZQZOOSXLH-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121687;MM121687;CC1CC(CF)C1=O;HQKOVNHOMADAFG-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121688;MM121688;CCC1CC(O)C1=O;LZXWEAQSBSXINL-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121689;MM121689;O=C1C(O)CC1CO;YQGTUYAGQPAUHI-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121690;MM121690;O=C1C(O)CC1CF;KOEGBNBFUJTAFR-UHFFFAOYSA-N;118.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121691;MM121691;CCC1CC(F)C1=O;UZYLLMACOSJEGH-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121692;MM121692;COC1CC(C)C1=O;PGRVNYDDWJXIPE-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121693;MM121693;CC=CC(=CC=NO)CC;MMPOQNQACGODOV-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121694;MM121694;CCC1OC(C)C1=O;SSAVIZHSFNIADC-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121695;MM121695;CC1OC(CO)C1=O;YYXFPYYUPSBHDV-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121696;MM121696;CCC1CN(C)C1=O;YQVNILCIJHZFJI-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121697;MM121697;CN1CC(CN)C1=O;BBYRTXMNORQZEF-UHFFFAOYSA-N;114.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121698;MM121698;CN1CC(CO)C1=O;RBDXADRKPGYEKJ-UHFFFAOYSA-N;115.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121699;MM121699;CCC1CN(N)C1=O;JPTMEEZXFBYFDH-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121700;MM121700;C=CCONC(=NO)NO;CBKGYKUVQZMWDX-UHFFFAOYSA-N;147.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121701;MM121701;COC1CN(C)C1=O;PLVHQYMEUBPPAU-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121702;MM121702;CCC(=NO)NC=CC=O;OHCNBNSBKVKKTP-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121703;MM121703;CCN1CC(C)C1=O;DYAUYGAHPAJVBP-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121704;MM121704;CCN1CC(O)C1=O;HCMJASHNQQCUES-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121705;MM121705;CCN1CC(F)C1=O;BKCGFVPSYIKZPW-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121706;MM121706;CNN1CC(C)C1=O;WFBMAMIAUPWPEZ-UHFFFAOYSA-N;114.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121707;MM121707;C#CC=CNC(CC)=NO;OMUFKWOZPWUFNW-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121708;MM121708;CC1N2C(=NO)CCC12C;PCMZOVJBCIRUNF-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121709;MM121709;CON1CC(C)C1=O;WLUHWOWJTDIQQI-UHFFFAOYSA-N;115.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121710;MM121710;CON1CC(O)C1=O;LTBOWHHMZIWEEH-UHFFFAOYSA-N;117.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121711;MM121711;CON1CC(F)C1=O;REKHXBVXFKNVFV-UHFFFAOYSA-N;119.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121712;MM121712;C=CC1CC(C)C1=O;ABGLMQWZBSCZTH-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121713;MM121713;Nc1noc(=O)[nH]1;NSJWCGRUQOIQQH-UHFFFAOYSA-N;101.07;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121714;MM121714;CC1CC(C#N)C1=O;VVGGETXEQFARSZ-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121715;MM121715;OCc1nc(F)c(O)[nH]1;QMANKMCMDDGXGS-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121716;MM121716;N#CC1CC(O)C1=O;RPTNDOHRMNRKCQ-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121717;MM121717;C=CC1CC(F)C1=O;YXGSZQXGJCFZTA-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121718;MM121718;CC(C)C(O)C(CO)=NO;BUJGUFLXMUFNCG-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121719;MM121719;NC(=NO)C1CC1CC=O;LLXBUZMJZSUWFB-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121720;MM121720;NN=C1CC(=O)NN1;GZFQGIDRYIIGAI-UHFFFAOYSA-N;114.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121721;MM121721;C=CC1OC(C)C1=O;ZHMUWBNONTUOBH-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121722;MM121722;CC1OC(C#N)C1=O;SKADRRLPFOQGRV-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121723;MM121723;C=CC1CN(C)C1=O;AOUJKTJXMGYRHS-UHFFFAOYSA-N;111.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121724;MM121724;CN1CC(C=O)C1=O;IIZSVZCMZBKTRU-UHFFFAOYSA-N;113.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121725;MM121725;CN1CC(C#N)C1=O;IEOGRFPFGVQLLD-UHFFFAOYSA-N;110.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121726;MM121726;C=CC1CN(N)C1=O;QWVKVDUHKCHHKJ-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121727;MM121727;C=CN1CC(C)C1=O;DXJSLYOXXMVZRT-UHFFFAOYSA-N;111.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121728;MM121728;CC1CN(C=N)C1=O;QOFZYTBXXJBQCL-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121729;MM121729;CC1CN(C=O)C1=O;WJVSJBHRWUNXBN-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121730;MM121730;C#CC1=NNC(=N)C1;BUHJPUKEBBGVBL-UHFFFAOYSA-N;107.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121731;MM121731;C=CN1CC(O)C1=O;ONURVKORRJDYHE-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121732;MM121732;C=C(F)CC(=N)NC=O;STWHSYCZLRHUGS-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121733;MM121733;O=CN1CC(O)C1=O;YISJKTQFXIVLRA-UHFFFAOYSA-N;115.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121734;MM121734;C=CN1CC(F)C1=O;VOERVOLCMOLVGI-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121735;MM121735;C=CN=C(C)NC(C)=O;RXIDSFLMLOFMNP-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121736;MM121736;O=CN1CC(F)C1=O;QAORVBNWXNQULM-UHFFFAOYSA-N;117.08;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121737;MM121737;C=NN1CC(C)C1=O;KIBRNCVJUGQSAR-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121738;MM121738;CN=C(C)NC(=O)NC;BLIADTWXNMQREL-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121739;MM121739;C=NN1CC(F)C1=O;BCLAWQXJMUGGIG-UHFFFAOYSA-N;116.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121740;MM121740;C#CC1CC(C)C1=O;YEIVJEQYDOBLBY-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121741;MM121741;C#CC1CC(O)C1=O;FVUJUZSGDRNJPN-UHFFFAOYSA-N;110.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121742;MM121742;C#CC1CC(F)C1=O;DWXPCMBZLHMNFH-UHFFFAOYSA-N;112.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121743;MM121743;CNCC(=O)ONC=O;SCIMZHKUXFYZSG-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121744;MM121744;C#CC1OC(C)C1=O;ADFQDHOOIUIJKZ-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121745;MM121745;C#CC1CN(C)C1=O;YPEGFUJFZJSXID-UHFFFAOYSA-N;109.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121746;MM121746;N=CN(N)C(=O)NC=O;GYASQZLOFCRAIU-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121747;MM121747;O=C1CCCCC1O;ODZTXUXIYGJLMC-UHFFFAOYSA-N;114.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121748;MM121748;O=C1COCCC1O;XYIVKNKNRLCIGP-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121749;MM121749;C=C1COCCC1F;XZFRGVJZJOOKNP-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121750;MM121750;N=C1CCCCN1N;CBDMPMWCNPHJCS-UHFFFAOYSA-N;113.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121751;MM121751;N=C1CCCCN1O;GGRURJFKJCUXSY-UHFFFAOYSA-N;114.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121752;MM121752;CN1CCNCC1=N;HRBHHJPFKVGJMU-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121753;MM121753;N=C1CNCCN1N;LXBSBNGJZHLQKW-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121754;MM121754;CN1CCOCC1=N;IERQLYOGIXPKGG-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121755;MM121755;CN1CCOCC1=O;FGQBGDBLZZPFCM-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121756;MM121756;N=C1COCCN1N;QTWZGACTDOYSBH-UHFFFAOYSA-N;115.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121757;MM121757;CN=C1CC(C)C(=O)N1;WHPNFTJLHKFZAB-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121758;MM121758;C=C1CCCCC1=C;DYEQHQNRKZJUCT-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121759;MM121759;C=C1CCCCC1=O;VYTPDQSCOXJDJM-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121760;MM121760;O=C1CCCCC1=O;OILAIQUEIWYQPH-UHFFFAOYSA-N;112.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121761;MM121761;C=C1CCNCC1=C;AQMLOVJUWHKDIG-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121762;MM121762;C#CC1=NN(C)C(=N)C1;JFORAPKEMNNTTE-UHFFFAOYSA-N;121.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121763;MM121763;C=C1CCOCC1=C;WGXWICZRYBKFBG-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121764;MM121764;C=C1CCOCC1=O;XMDOTPWBXDULKJ-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121765;MM121765;C=C1COCCC1=O;KGJTZWFUXFKJRP-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121766;MM121766;O=C1CCOCC1=O;RYPRLCYCTVPTOU-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121767;MM121767;O=C1CC=CCC1O;YVYOJBBTBUJMRX-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121768;MM121768;CN1CC=CCC1=N;UUAIXYDSSDNGAQ-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121769;MM121769;CN1CC=CCC1=O;KOFKFKOKBFMMSI-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121770;MM121770;N=C1CC=CCN1N;FFHZTXXXXKUSOA-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121771;MM121771;NN1CC=CCC1=O;FEJIOAYVWPRAIU-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121772;MM121772;N=C1CC=CCN1O;IDUPBAFADCSARE-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121773;MM121773;C=C1CC=CCC1=C;AYDXFMFJWWTQQK-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121774;MM121774;C=C1CC=CCC1=O;YSSGTEDLZTUQEM-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121775;MM121775;O=c1occoc1=O;AMTMWNDAPSZOER-UHFFFAOYSA-N;114.06;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121776;MM121776;O=c1ocnoc1=O;OSSBZOYSMQIQFB-UHFFFAOYSA-N;115.04;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121777;MM121777;O=c1onnoc1=O;DEKHZWBBIQPRJD-UHFFFAOYSA-N;116.03;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121778;MM121778;CN1C=NCCN1C;PKFAFROMYPLGFX-UHFFFAOYSA-N;113.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121779;MM121779;N=C1CCC=CN1N;IBFZKDNSUVOMQE-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121780;MM121780;CN1C=CCCC1=O;FPCRCXWDVCFANZ-UHFFFAOYSA-N;111.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121781;MM121781;O=C1CCC=CN1O;JZMOQIILODOPGU-UHFFFAOYSA-N;113.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121782;MM121782;O=C1NCC=CN1O;OPOXAHAHHPOMOX-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121783;MM121783;N#CC=CC(CF)=NO;CMCZFXKKAFJGGD-UHFFFAOYSA-N;128.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121784;MM121784;CCc1nnc(O)n1O;DLKVZLSWJCDUCC-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121785;MM121785;CC=CC1=NNC(=N)C1;MBBHIBDFWAVHMR-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121786;MM121786;Nc1nocnc1=O;OYTVZEPPAMNVAE-UHFFFAOYSA-N;113.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121787;MM121787;C=COC(=O)C(O)C=NO;RMFWAGYWMMRMIZ-UHFFFAOYSA-N;145.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121788;MM121788;Cc1cn(C)nc1O;POYXMTCMZAMQAW-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121789;MM121789;C#CCn1cc(C)c(O)n1;JEYHNARZNJLENS-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121790;MM121790;C=CC#Cc1cc(O)n[nH]1;UABQIGCPEHMKAU-UHFFFAOYSA-N;134.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121791;MM121791;CN1C=NN=CN1C;WUMABDHEHKIBEY-UHFFFAOYSA-N;112.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121792;MM121792;Cn1ccccc1=N;SSDQZFNBHWFLIZ-UHFFFAOYSA-N;108.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121793;MM121793;Cn1ccccc1=O;DVVGIUUJYPYENY-UHFFFAOYSA-N;109.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121794;MM121794;N=c1ccccn1N;CTVDPRQKVHCUBZ-UHFFFAOYSA-N;109.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121795;MM121795;Nn1ccccc1=O;JADBQNNRRQRIFM-UHFFFAOYSA-N;110.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121796;MM121796;N=c1ccccn1O;KTPMVZCGIJJWCD-UHFFFAOYSA-N;110.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121797;MM121797;Cn1ccncc1=N;FZCRCXODUUWZNX-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121798;MM121798;Cn1ccncc1=O;AXDPIARTQUKALL-UHFFFAOYSA-N;110.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121799;MM121799;Nn1ccncc1=O;OGPBAURZNFINAO-UHFFFAOYSA-N;111.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121800;MM121800;Cc1cc(O)nn1N;KYRQOWRHMJISLY-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121801;MM121801;Cn1cnccc1=N;XPQCWKVOHGIZNZ-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121802;MM121802;Cn1cnccc1=O;PSXLJUKMMIHADB-UHFFFAOYSA-N;110.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121803;MM121803;N=c1cnncn1N;UHICUZQFHOGPMP-UHFFFAOYSA-N;111.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121804;MM121804;Cn1cccnc1=N;PTCUWHZWXMQWHX-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121805;MM121805;Cn1cccnc1=O;LQKMCBPMBNUKSU-UHFFFAOYSA-N;110.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121806;MM121806;N=c1ncccn1N;VTLJIKPBXTVSPY-UHFFFAOYSA-N;110.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121807;MM121807;Nn1cccnc1=O;ZAJIOYDBJNEKAJ-UHFFFAOYSA-N;111.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121808;MM121808;N=c1ncccn1O;FLUYWGLRWSFUGE-UHFFFAOYSA-N;111.1;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121809;MM121809;Nn1[nH]c2nnnc-2c1O;NJFYBJPTWUNYOW-UHFFFAOYSA-N;140.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121810;MM121810;Cn1cncnc1=N;PKQOJRLVEMVSSC-UHFFFAOYSA-N;110.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121811;MM121811;Cn1cncnc1=O;LOYYCBIOTJREPX-UHFFFAOYSA-N;111.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121812;MM121812;Nn1cncnc1=O;IVGKIMFLHBSHCO-UHFFFAOYSA-N;112.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121813;MM121813;Cn1cnnnc1=O;KEZFOHSDVADWNP-UHFFFAOYSA-N;112.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121814;MM121814;N=c1nnncn1N;FKGFJIUUZIRRPR-UHFFFAOYSA-N;112.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121815;MM121815;Nn1cnnnc1=O;FZXIGHOMXPHVSJ-UHFFFAOYSA-N;113.08;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121816;MM121816;CN=C1NC(=O)CC1C;FEYBBEDEXPATHT-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121817;MM121817;Cn1ncccc1=O;TYJMXMFZUFPWIK-UHFFFAOYSA-N;110.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121818;MM121818;Nn1ncccc1=O;ZJEITNHMNVNEEK-UHFFFAOYSA-N;111.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121819;MM121819;C=NOC(CO)=NO;QUFCARRDQJUGGX-UHFFFAOYSA-N;118.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121820;MM121820;Cn1ncncc1=N;YAULSFTXBXTQLS-UHFFFAOYSA-N;110.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121821;MM121821;Cn1ncncc1=O;UNAZBBAZKCDTCF-UHFFFAOYSA-N;111.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121822;MM121822;N=c1cncnn1N;NJSMZLACZIWBBQ-UHFFFAOYSA-N;111.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121823;MM121823;Nn1ncncc1=O;CDRKQMCFHKGCDY-UHFFFAOYSA-N;112.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121824;MM121824;CC(=N)NC(=O)N1CC1;MQEILVIBAQZZLD-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121825;MM121825;N=c1ccnnn1N;FLOAWRCYYZRZIH-UHFFFAOYSA-N;111.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121826;MM121826;Cn1nnncc1=N;BHASMHULDIPVIO-UHFFFAOYSA-N;111.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121827;MM121827;Cn1nccnc1=O;DLAPKNGFKDTCSE-UHFFFAOYSA-N;111.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121828;MM121828;Nn1nccnc1=O;WANCLWXFXJAHSA-UHFFFAOYSA-N;112.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121829;MM121829;CCc1c[nH]n(C=N)c1=O;OBYXTTFDCRHFBO-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121830;MM121830;Cn1ncnnc1=N;NXLZXOUHSDEVRI-UHFFFAOYSA-N;111.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121831;MM121831;Cn1ncnnc1=O;MXQKKEFVPYJJSU-UHFFFAOYSA-N;112.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121832;MM121832;N=c1nncnn1N;MTZLNZKZMMAEND-UHFFFAOYSA-N;112.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121833;MM121833;Nn1ncnnc1=O;CNRXKRDZIVRLQK-UHFFFAOYSA-N;113.08;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121834;MM121834;NN=c1o[nH]c(N)c1N;GRRXJEXQCKPKJB-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121835;MM121835;Nn1nnc(=O)cc1O;KNSFPILPPQAYRR-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121836;MM121836;Cn1nncnc1=N;BAXKPNAXUIFDBK-UHFFFAOYSA-N;111.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121837;MM121837;Cn1nncnc1=O;BXOIAMXLESEUPG-UHFFFAOYSA-N;112.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121838;MM121838;N=c1ncnnn1N;HHVMUQXKXWZHKV-UHFFFAOYSA-N;112.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121839;MM121839;Nn1nncnc1=O;LUYOPNZJLYVVDP-UHFFFAOYSA-N;113.08;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121840;MM121840;CC(C)(C)C(=N)NC(N)=O;BSDQRZGWKMRQOC-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121841;MM121841;O=C1OC(=NO)C=C1F;KZCDUDRKJPUNOF-UHFFFAOYSA-N;131.06;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121842;MM121842;C=c1ccccc1=C;XURVRZSODRHRNK-UHFFFAOYSA-N;104.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121843;MM121843;O=C1C=CC=CC1=O;WOAHJDHKFWSLKE-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121844;MM121844;O=C1C=CN=CC1=O;LISGYTAVDHUYSL-UHFFFAOYSA-N;109.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121845;MM121845;O=C1C=NN=CC1=O;HIGSMKNSRARVNE-UHFFFAOYSA-N;110.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121846;MM121846;Cc1nocnc1=N;BNJMJVKWHZGKRE-UHFFFAOYSA-N;111.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121847;MM121847;N=c1nconc1F;MBTOKMBMSDTODO-UHFFFAOYSA-N;115.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121848;MM121848;Cc1nocnc1=O;DGSRCJFFHBZYPM-UHFFFAOYSA-N;112.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121849;MM121849;O=c1nconc1F;PMMPAUVPUDKICW-UHFFFAOYSA-N;116.05;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121850;MM121850;CCC(=O)C(C)C(=O)C=O;UTFRFQFCVCNNJX-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121851;MM121851;O=c1[nH]cc(F)n1O;KJUCIPKGASPZAI-UHFFFAOYSA-N;118.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121852;MM121852;Fc1cnncc1F;CUDTXGGCYDFSOB-UHFFFAOYSA-N;116.07;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121853;MM121853;FC1=C(F)CCCC1;CXBQPFXUSPYXDM-UHFFFAOYSA-N;118.13;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121854;MM121854;CC1=C(F)CCNC1;QDTGZOWRNIQPPO-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121855;MM121855;CC1=C(C)COCC1;DJSOMLRURBTWLO-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121856;MM121856;CC1=C(F)COCC1;QYKOMSHEZQFRHZ-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121857;MM121857;CC1=C(F)CCOC1;LKAPAYPAGYLFMC-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121858;MM121858;CC1=C(C)OCCC1;NUMHTFWDDUIQTR-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121859;MM121859;CC1=C(C)OCOC1;IFWDTAXGPYJBCV-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121860;MM121860;CC1=C(C)OCCO1;RWUBSSLXZYPZDP-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121861;MM121861;CC1=C(C)OC=CO1;XWERKWVETTXNQX-UHFFFAOYSA-N;112.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121862;MM121862;CC1CCC(C)C1C;VCWNHOPGKQCXIQ-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121863;MM121863;CC1CCC(N)C1C;ULLMWEQEVXWLIQ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121864;MM121864;CC(C=CC(C)(C)O)=NO;XCMLYTQHAMWRCC-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121865;MM121865;CC1CCC(F)C1C;WSEIQNARVRQTEI-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121866;MM121866;CC1C(N)CCC1N;PXIJNCSSFULUQJ-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121867;MM121867;CC1C(N)CCC1F;ZHAMFLKQTQHGJS-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121868;MM121868;CC1C(O)CCC1O;ZTBSMRFXMVIDPU-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121869;MM121869;CC1C(O)CCC1F;PKLVXOJBQCJSIX-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121870;MM121870;CC1C(F)CCC1F;CDMVVUKXTVEZMR-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121871;MM121871;CC1CCC(C)C1N;VUYIFCKJOLEHPV-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121872;MM121872;CC1CCC(O)C1N;ZKTRHNWSXTXDAT-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121873;MM121873;CC1CCC(F)C1N;RJQKSLISJZFZCJ-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121874;MM121874;NC1CCC(N)C1N;ROPKGAWVJPESLD-UHFFFAOYSA-N;115.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121875;MM121875;NC1CCC(O)C1N;SCYNASBCUORFSS-UHFFFAOYSA-N;116.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121876;MM121876;NC1C(O)CCC1O;IKOXIDCLHJCBMV-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121877;MM121877;NC1C(O)CCC1F;APPBMLCVLHALQH-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121878;MM121878;CC1CCC(N)C1O;IHHLLIAIASQAOA-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121879;MM121879;NC1CCC(O)C1O;JBSOEJULKZXSPK-UHFFFAOYSA-N;117.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121880;MM121880;NC1CCC(F)C1O;QRTAWJHVRQCBIP-UHFFFAOYSA-N;119.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121881;MM121881;OC1C(F)CCC1F;FDRZKNDLXTXQCW-UHFFFAOYSA-N;122.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121882;MM121882;CC1CCC(C)C1F;YJIPTQKKECKFKV-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121883;MM121883;CC1CCC(N)C1F;QSIGNMZSHNVROZ-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121884;MM121884;CC1CNC(C)C1C;YFZJBYQBYKUDMK-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121885;MM121885;CC1NCC(N)C1C;CGWODIXRIVXOKE-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121886;MM121886;CC1NCC(O)C1C;VFISQXZKZHKJEK-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121887;MM121887;CC1NCC(F)C1C;RIJDODDLDPCJNO-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121888;MM121888;CC1CNC(C)C1N;SPGTVCHCTVSWQG-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121889;MM121889;CC1NCC(N)C1N;QLNVSMNNUMZJKM-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121890;MM121890;CC1NCC(F)C1N;VMCVAFQCLOLPNB-UHFFFAOYSA-N;118.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121891;MM121891;CC1CNC(C)C1O;QIIFZMZGZOOZIK-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121892;MM121892;CC1NCC(O)C1O;MUXHUWTVFOHVKD-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121893;MM121893;CC1CNC(C)C1F;IEQFZMGOPGSYQS-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121894;MM121894;CC1NCC(N)C1F;DEFOWWBFIBMFIE-UHFFFAOYSA-N;118.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121895;MM121895;CC1COC(C)C1C;CZSCWQWPQDZKSG-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121896;MM121896;CC1OCC(N)C1C;XDFTUNPTJCGQTM-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121897;MM121897;CC1OCC(O)C1C;NZRUUVQMLLDWHH-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121898;MM121898;CC1OCC(F)C1C;NPPBHXIUUNSSJD-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121899;MM121899;CC1COC(C)C1N;STPFMHHYGCEYSE-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121900;MM121900;CC1OCC(N)C1N;JQGXWPJMJNUGOC-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121901;MM121901;CC1OCC(O)C1N;BLEDOYAEMXIDEQ-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121902;MM121902;CC1OCC(F)C1N;DBTLNQMQNNVBNP-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121903;MM121903;CC1OCC(N)C1O;JDLMCEVXIPRDKL-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121904;MM121904;CC1OCC(O)C1O;VVDIZWFSGJERMA-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121905;MM121905;CC1CCN(C)C1C;WMDMBPSFBRCBNS-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121906;MM121906;CC1C(N)CCN1C;RPMVELKOENZIBB-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121907;MM121907;CC1C(O)CCN1C;HYHQPNCVYMROQX-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121908;MM121908;CC1CCC(C)N1C;OAVDTRCBGZNDIN-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121909;MM121909;C=C1CCC(C)C1C;SITNPFCTAOJHRR-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121910;MM121910;CC1CCC(=O)C1C;NHHSVMBOTBXSFH-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121911;MM121911;C=C1CCC(N)C1C;BDTWRVGYXSHKOA-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121912;MM121912;CC(=O)NC(=N)C=CC=O;OAWOAZJOPAIDCO-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121913;MM121913;CC1C(=O)CCC1O;DLDFIQIZEHEKKO-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121914;MM121914;C=C1CCC(F)C1C;OOPOYTFLFYYARA-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121915;MM121915;CC1C(=O)CCC1F;MWSKOIVHZFPUQN-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121916;MM121916;C=C1CCC(C)C1N;CJCJDRQSCUFCAS-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121917;MM121917;C=C1CCC(N)C1N;RTGMIWNCJPTUIK-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121918;MM121918;C=C1CCC(O)C1N;MABHAFMHZHBJHI-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121919;MM121919;C=C1CCC(F)C1N;IGIBXUBKHWDLHE-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121920;MM121920;C#CCN=C(C)NC(N)=O;VXUUHBDGOPHNLM-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121921;MM121921;CC1CCC(=O)C1O;RVBKXUXSUWVPOP-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121922;MM121922;C=C1CCC(N)C1O;DLQVXBDMVIRVPY-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121923;MM121923;C=C1CCC(O)C1O;POFZSUMZFOEBMQ-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121924;MM121924;O=C1CCC(O)C1O;UCSSIRYJYYPTSF-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121925;MM121925;O=C1CCC(F)C1O;IAGKNGRBUJNVEW-UHFFFAOYSA-N;118.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121926;MM121926;CC1CCC(=O)C1F;FBBPNHPHNUFCOJ-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121927;MM121927;C=C1CCC(N)C1F;HHXSKBARKXXKOO-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121928;MM121928;C=C1CCC(O)C1F;GPQFFKMBSCKAIA-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121929;MM121929;CC1CNC(=N)C1C;YVPMIGCVKYQACC-UHFFFAOYSA-N;112.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121930;MM121930;CC1CNC(=O)C1C;IAXUBUNOIDLOLR-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121931;MM121931;CC1C(=N)NCC1N;QGFDGKXENCUMFV-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121932;MM121932;CC1C(=O)NCC1N;NJMACSNXHULNGY-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121933;MM121933;CC1C(=N)NCC1O;SVLFPCIHGGKPKV-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121934;MM121934;CC1C(=O)NCC1O;JWMIZDURURGFKU-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121935;MM121935;CC1C(=N)NCC1F;OZTHFCHAFLXPJN-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121936;MM121936;CC1C(=O)NCC1F;ZGYMPYAIVKIDIW-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121937;MM121937;CC1CNC(=N)C1N;WCZGLMMMIFJOHV-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121938;MM121938;CC1CNC(=O)C1N;FCZGCQDOFWAOCM-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121939;MM121939;N=C1NCC(N)C1N;QRTJHDGHSJAAMK-UHFFFAOYSA-N;114.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121940;MM121940;NC1CNC(=O)C1N;MKMQQCPYKCENHE-UHFFFAOYSA-N;115.14;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121941;MM121941;N=C1NCC(O)C1N;TYDSOICXRVYRGP-UHFFFAOYSA-N;115.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121942;MM121942;N=C1NCC(F)C1N;UJKKOCTUASLNNS-UHFFFAOYSA-N;117.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121943;MM121943;CC1CNC(=N)C1O;SRDQZEYTMMQSRY-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121944;MM121944;N=C1NCC(N)C1O;OLIUZVDESTTWDC-UHFFFAOYSA-N;115.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121945;MM121945;NC1CNC(=O)C1O;NBIQBOVYJFOTLH-UHFFFAOYSA-N;116.12;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121946;MM121946;N=C1NCC(O)C1O;WQQWPSIQIUCMFK-UHFFFAOYSA-N;116.12;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121947;MM121947;C=C1OCC(C)C1C;VLHOERMNZLBKPK-UHFFFAOYSA-N;112.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121948;MM121948;CC1COC(=O)C1C;URIHWCCVKZSTMD-UHFFFAOYSA-N;114.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121949;MM121949;C=C1OCC(N)C1C;YNHCCTFGPBZOPT-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121950;MM121950;CC1C(=O)OCC1N;CDZLKSILORSNOV-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121951;MM121951;C=C1OCC(O)C1C;WNZRKYFPGNKMCW-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121952;MM121952;CC1C(=O)OCC1O;WMWULFWRZYXSIW-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121953;MM121953;C=C1OCC(F)C1C;JTXFODROVNKVIM-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121954;MM121954;CC1C(=O)OCC1F;NVKGYBWLLRZEJE-UHFFFAOYSA-N;118.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121955;MM121955;C=C1OCC(C)C1N;RJYHQRWAHZMIJI-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121956;MM121956;C=C1OCC(N)C1N;RNDWXFVYVRIOAL-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121957;MM121957;C=C1OCC(O)C1N;XSDXGTUPQWVRKO-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121958;MM121958;NC1C(=O)OCC1F;JRPMOEDKOQTBAG-UHFFFAOYSA-N;119.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121959;MM121959;C=C1OCC(C)C1O;YNPGDOJSWPHSQL-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121960;MM121960;C=C1OCC(N)C1O;YTPOQMCOXNERHT-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121961;MM121961;O=C1OCC(O)C1O;SGMJBNSHAZVGMC-UHFFFAOYSA-N;118.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121962;MM121962;C=C1OCC(F)C1O;TYOSRHUUSZBZBP-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121963;MM121963;C=C1CNC(C)C1C;ZUEJNXDTUKXAPQ-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121964;MM121964;C=C1CNC(C)C1N;GAQJPNQWQPEYKI-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121965;MM121965;C=C1CNC(C)C1O;KLCBPHKRPYZSNU-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121966;MM121966;C=C1CNC(C)C1F;UNQGSXYMRLWASY-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121967;MM121967;CC1NNC(=N)C1C;QDAVEAALYJZYNO-UHFFFAOYSA-N;113.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121968;MM121968;C=C1C(=O)NC(=N)C1(C)C;FCQUBMGEZUIMPQ-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121969;MM121969;CC1NNC(=N)C1N;QTYYEVICYPYKTG-UHFFFAOYSA-N;114.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121970;MM121970;CC1NNC(=N)C1O;RFPCCLBXLYBDSA-UHFFFAOYSA-N;115.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121971;MM121971;C=C1COC(C)C1C;YCSLBEFKZRKIMP-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121972;MM121972;CC1OCC(=O)C1C;ISIVDUBNFATCAR-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121973;MM121973;C=C1COC(C)C1N;GEWJUCDDPHRRIS-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121974;MM121974;C=C1COC(C)C1O;PHXFXCNEJKGEFN-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121975;MM121975;C=C1COC(C)C1F;OAAOKTSKIQXWGQ-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121976;MM121976;CC1ONC(=N)C1C;LXGRTTGVYFTYKQ-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121977;MM121977;CC1CCC(=N)N1C;ASEPHGOCQCYMTN-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121978;MM121978;CC1CCC(=O)N1C;FILVIKOEJGORQS-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121979;MM121979;CC1CCC(=N)N1N;WJFKAWQVPNTQQW-UHFFFAOYSA-N;113.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121980;MM121980;CC1CCC(=O)N1N;PNUIFJQZHQETOA-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121981;MM121981;CC1CCC(=N)N1O;JRYAPHSPBDPGLL-UHFFFAOYSA-N;114.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121982;MM121982;CC1CNC(=N)N1C;DOEITEXCMVAQDF-UHFFFAOYSA-N;113.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121983;MM121983;CC1CNC(=O)N1C;UIYPGDYKWVLEDA-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121984;MM121984;CC1CNC(=N)N1N;BQVDHQVIUZMNPJ-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121985;MM121985;CN=C(C)N=CNC(N)=O;WJTPIDRIUQOLII-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121986;MM121986;CC1CNC(=N)N1O;VKASIVNDVZAUNR-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121987;MM121987;CC1CNC(=O)N1O;IVHPTCPLBMAFMT-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121988;MM121988;CC1COC(=N)N1C;ZPPMMSWIZBIXJZ-UHFFFAOYSA-N;114.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121989;MM121989;CC1COC(=O)N1C;HSKFWUNQSAWFDR-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121990;MM121990;CC1COC(=O)N1N;XPMYXRYKDAGZCA-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121991;MM121991;CNC(=O)NC(=N)CCO;LVLPQXNWXZYEQW-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121992;MM121992;CN1CCC(=N)N1C;PSQUJAOSSBUDBQ-UHFFFAOYSA-N;113.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121993;MM121993;CN1CCC(=O)N1C;OXZRQDIWHYFSGL-UHFFFAOYSA-N;114.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121994;MM121994;C=C1CCC(=C)C1C;PTRXCMTZNJNNMG-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121995;MM121995;C=C1CCC(=O)C1C;RONXZCNDLKQEIG-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121996;MM121996;CC1C(=O)CCC1=O;HXZILEQYFQYQCE-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121997;MM121997;C=C1CCC(=C)C1N;VFIFHLASSRKVFB-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121998;MM121998;C=CC(=N)NC(=O)CCC;YCAYHBLZSPNIDN-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM121999;MM121999;C=C1CCC(=O)C1O;QTDHOWVMINICTD-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122000;MM122000;O=C1CCC(=O)C1O;ROLYPZBJJHHNIT-UHFFFAOYSA-N;114.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122001;MM122001;C=C1CNC(=N)C1C;MPSGJPIRXLJEAA-UHFFFAOYSA-N;110.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122002;MM122002;C=C1CNC(=O)C1C;AGBDNANREAKJPZ-UHFFFAOYSA-N;111.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122003;MM122003;CC1C(=O)CNC1=O;XDCHRHIXCMMJNQ-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122004;MM122004;C=C1CNC(=N)C1O;JUNZDJROMVPBRB-UHFFFAOYSA-N;112.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122005;MM122005;C=C1CNC(=O)C1O;DVGJGICJFBMYIZ-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122006;MM122006;C=C1COC(=C)C1C;FDXKEPQBWTYVAZ-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122007;MM122007;C=C1COC(=O)C1C;SKPXJUPXDXOOFG-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122008;MM122008;CC1C(=O)COC1=O;AWGPWASAORSKKR-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122009;MM122009;C=C1COC(=C)C1O;ILTWFSCHWJUUMV-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122010;MM122010;C=C1COC(=O)C1O;ZQXKWOLSBTZTQY-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122011;MM122011;C=C1OCC(=O)C1O;VEZAMSCAWZBETM-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122012;MM122012;CC1C(=N)NNC1=N;REQZGMWTXGSGOM-UHFFFAOYSA-N;112.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122013;MM122013;N#CC#Cc1nc(=O)[nH][nH]1;PJUZCJNUCLZRJH-UHFFFAOYSA-N;134.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122014;MM122014;NC1=NNC(=O)C1O;AWTXSJCHXQRQFB-UHFFFAOYSA-N;115.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122015;MM122015;CN(C=NN)C(=O)NC=N;TVANJQNYEOBWKF-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122016;MM122016;C=C1CCC(=N)N1C;HCJBUEHXDRHAGV-UHFFFAOYSA-N;110.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122017;MM122017;CN1C(=N)CCC1=O;NWGNHPNGCDJCRH-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122018;MM122018;CN1C(=O)CCC1=O;KYEACNNYFNZCST-UHFFFAOYSA-N;113.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122019;MM122019;C=C1CCC(=O)N1N;BSOSUXRSGHZZJY-UHFFFAOYSA-N;112.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122020;MM122020;N=C1CCC(=N)N1N;OFOWETXIGKEYFV-UHFFFAOYSA-N;112.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122021;MM122021;N=C1CCC(=O)N1N;KWQBKWOLCXCLNF-UHFFFAOYSA-N;113.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122022;MM122022;C=CN=CNC(=O)N(C)C;CJXMFHYYLKYCSA-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122023;MM122023;C=C1CCC(=N)N1O;KRWZPFCWZUWSOV-UHFFFAOYSA-N;112.13;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122024;MM122024;C=C1CCC(=O)N1O;HERGQFQFMFSMPN-UHFFFAOYSA-N;113.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122025;MM122025;C=C1CNC(=N)N1C;ZXLANXNZUHNOEM-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122026;MM122026;C=C1CNC(=O)N1C;CCNKXAWBYJCLQD-UHFFFAOYSA-N;112.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122027;MM122027;CN1C(=O)CNC1=O;MZQQHYDUINOMDG-UHFFFAOYSA-N;114.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122028;MM122028;C=C1CNC(=N)N1N;FAWKEIZBCKWAGB-UHFFFAOYSA-N;112.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122029;MM122029;N=C(NC=O)C(N)C(N)=O;FJAJQOUCARIHJQ-UHFFFAOYSA-N;144.13;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122030;MM122030;N=C1CNC(=N)N1N;BCPVLIOPFQAERH-UHFFFAOYSA-N;113.12;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122031;MM122031;CC(=N)N(C)C(=O)NC=N;QXCKNBYQGMRSOT-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122032;MM122032;CC=CC1=NN(C)C(=N)C1;ICBSXLLQCKNTTB-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122033;MM122033;C=C1CNC(=N)N1O;PXUUJMFSALDXJV-UHFFFAOYSA-N;113.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122034;MM122034;C=C1CNC(=O)N1O;SCJFYKZFZMRSGI-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122035;MM122035;N=C1CNC(=N)N1O;PZCOOADWVREQBG-UHFFFAOYSA-N;114.11;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122036;MM122036;N=C1CNC(=O)N1O;ARYOGFFPTGOWKV-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122037;MM122037;C=C1COC(=O)N1C;KDFIAJLUKKYZHQ-UHFFFAOYSA-N;113.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122038;MM122038;C=C1OCC(=N)N1C;IOSKSEBNUSNHJW-UHFFFAOYSA-N;112.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122039;MM122039;C=C1OCC(=O)N1C;HFQPCMQWWSQRFV-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122040;MM122040;C=C1COC(=O)N1N;SBFVYTXILNIKEG-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122041;MM122041;N=C1COC(=O)N1N;UUBZDVPZSVTDOJ-UHFFFAOYSA-N;115.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122042;MM122042;C=C1OCC(=O)N1N;ZJRLCQYHHFOUBP-UHFFFAOYSA-N;114.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122043;MM122043;N=C1OCC(=O)N1N;PIYGGUBTGWDYFI-UHFFFAOYSA-N;115.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122044;MM122044;NN1C(=O)COC1=O;WCNVXSKTMRUMPJ-UHFFFAOYSA-N;116.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122045;MM122045;C=C(CCCF)NC=NO;IJVAVSJIEYJFJD-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122046;MM122046;CC(=NO)NCC#CCF;KYTQWYGNSWHHFR-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122047;MM122047;Nc1nn(C=O)c(=O)n1O;ANFHHROWEPSIDM-UHFFFAOYSA-N;144.09;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122048;MM122048;Nn1c(=O)[nH]oc1=O;BAMPCCNRWPFEME-UHFFFAOYSA-N;117.06;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122049;MM122049;CCN(O)C(=NO)NOC;CVVUVFYQEOGBDL-UHFFFAOYSA-N;149.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122050;MM122050;CCn1cnn(O)c1=O;CRCDEIZAXMVWDS-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122051;MM122051;O=Cn1cnc(O)n1;NENFALYVLAWAJO-UHFFFAOYSA-N;113.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122052;MM122052;C=C1C(C)CCC1C;NGTUOSTWYSKFRH-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122053;MM122053;C=C1C(C)CCC1N;DRGGHWCOKOUTJO-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122054;MM122054;C=CC(=CC=NO)CCC;OSKOHLWVXPZJPX-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122055;MM122055;C=C1C(C)CCC1F;AKALDOQDYPUIKM-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122056;MM122056;C=C1C(N)CCC1N;MZFDAWCXQCFHHX-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122057;MM122057;C=C1C(N)CCC1O;UJAYGFYCNHAICI-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122058;MM122058;C=C1C(N)CCC1F;WQQGWJIFUGCVDA-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122059;MM122059;C=C1C(O)CCC1O;PMFWNUKJKNWYKS-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122060;MM122060;C=C1C(O)CCC1F;DHIXCADIHMEOMG-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122061;MM122061;C=C1C(F)CCC1F;ZYYXOQWUTUOAKD-UHFFFAOYSA-N;118.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122062;MM122062;CC1CCC(C)C1=O;MKLARKDYEBNZFK-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122063;MM122063;CC1CCC(O)C1=O;JVFCSSVMBSUKAH-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122064;MM122064;CC1CCC(F)C1=O;SUVITTQZSKXPQP-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122065;MM122065;O=C1C(O)CCC1O;OLEPUDVQMWFWAG-UHFFFAOYSA-N;116.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122066;MM122066;C=C1C(C)CNC1C;UIOYPCDHEYEQST-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122067;MM122067;C=C1C(N)CNC1C;CLQORZQWADURSW-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122068;MM122068;C=C1C(O)CNC1C;ZPUXUNBYFQWKFS-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122069;MM122069;C=C1C(F)CNC1C;UKCKDIBEOZZYST-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122070;MM122070;CCN(OC)C(=NO)NO;AYQCCSCPXAMVMX-UHFFFAOYSA-N;149.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122071;MM122071;C=C1C(C)COC1C;UHHQLFPIIUPEEG-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122072;MM122072;C=C1C(N)COC1C;YWVTZKOBXSIUIU-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122073;MM122073;C=C1C(O)COC1C;PPILJNFXVXEYDU-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122074;MM122074;C=C1C(F)COC1C;XJYLXAPOJQHFKO-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122075;MM122075;CC1COC(C)C1=O;FXBYRLRMCHJWBM-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122076;MM122076;CC1OCC(O)C1=O;OUNJBWBXZYUGEF-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122077;MM122077;CC1OCC(F)C1=O;NPIAAIHAGGWHAM-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122078;MM122078;CC1CCN(C)C1=N;KILFDSZZBGERNF-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122079;MM122079;CC1CCN(N)C1=N;IEAXUCXDNQKNFC-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122080;MM122080;CC1CCN(O)C1=N;YIASVPXZBPWHBK-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122081;MM122081;CN1CCC(N)C1=N;PRZYYKVUTIRIQL-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122082;MM122082;N=C1C(N)CCN1O;QVFPQCIWZMJIMA-UHFFFAOYSA-N;115.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122083;MM122083;CN1CCC(O)C1=N;LAHJVPPXDFMDJP-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122084;MM122084;N=C1C(O)CCN1N;AXYNFABKBISMFN-UHFFFAOYSA-N;115.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122085;MM122085;CCC(C=CC=NO)CO;AUCUXVPUPUJBCZ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122086;MM122086;CC1CCN(N)C1=O;MBHNKUNCRAEYOE-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122087;MM122087;CN1CCC(O)C1=O;ZHQJIJUMPYNVAZ-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122088;MM122088;CCC(CF)C(=O)NC=N;XUIIZCZQOQHJFX-UHFFFAOYSA-N;146.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122089;MM122089;CN1CCC(F)C1=O;MEVMCNKXZSVAIT-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122090;MM122090;CCOC(=O)C(C=O)NC;ZWRIAIDJZQEGRS-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122091;MM122091;CC1CNN(C)C1=N;UKSRELVTYAAYRL-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122092;MM122092;CN1NCC(N)C1=N;VBRQXBXYXSOCCX-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122093;MM122093;CN1NCC(O)C1=N;SLUMSZBAYQBEGJ-UHFFFAOYSA-N;115.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122094;MM122094;CN1NCC(F)C1=N;GFSTXFLNHSUUJJ-UHFFFAOYSA-N;117.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122095;MM122095;CC1CNN(C)C1=O;IVTUHEKHYILEDJ-UHFFFAOYSA-N;114.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122096;MM122096;CNN(C=N)C(=O)NC=O;QPGICQHVVBSQLF-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122097;MM122097;N#CC1(CNC=NO)CC1;RIZDLAFOPXLTTN-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122098;MM122098;CC1CON(C)C1=N;XZUPJXPFCBWIQW-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122099;MM122099;CN1OCC(F)C1=N;HFTLFDWETUKJDD-UHFFFAOYSA-N;118.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122100;MM122100;CC1CON(C)C1=O;QOPIVRCSTFQXCT-UHFFFAOYSA-N;115.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122101;MM122101;CN1OCC(O)C1=O;PHAPIYIGCRCABX-UHFFFAOYSA-N;117.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122102;MM122102;CN1CCN(C)C1=N;KSESOTWVQYBRLJ-UHFFFAOYSA-N;113.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122103;MM122103;CN1CCN(N)C1=N;ITWFBFZDGIUWIA-UHFFFAOYSA-N;114.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122104;MM122104;CN1CCN(O)C1=N;DGSSDLVEZWKHDX-UHFFFAOYSA-N;115.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122105;MM122105;N=C1N(N)CCN1N;CPLYUWIAWUIRNO-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122106;MM122106;N=C1N(N)CCN1O;BGOZEIPVTHVAOH-UHFFFAOYSA-N;116.12;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122107;MM122107;CN1CCN(C)C1=O;CYSGHNMQYZDMIA-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122108;MM122108;CN1CCN(N)C1=O;MLPBXSHWSFSVTK-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122109;MM122109;CN1CCN(O)C1=O;LOOSPXRGJMQCIY-UHFFFAOYSA-N;116.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122110;MM122110;NN1CCN(N)C1=O;TWUVPYBVZUYZLH-UHFFFAOYSA-N;116.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122111;MM122111;C=C1CCC(C)C1=C;ORQXDETXZIHELZ-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122112;MM122112;C=C1C(=O)CCC1C;VNBYXKUTSDMQKK-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122113;MM122113;C=C1CCC(N)C1=C;OOZAQWQQUWOOEC-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122114;MM122114;CN1C(=NO)CC2CC21C;MPNTXLJVWHSEFB-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122115;MM122115;C=C1C(=O)CCC1O;BYGHHDCIOPHGGI-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122116;MM122116;C=C1C(=O)CCC1F;DDKALAJSAQOEIO-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122117;MM122117;C=C1CCC(C)C1=O;CFBKMNSICPCTMH-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122118;MM122118;CC1CCC(=O)C1=O;OACYKCIZDVVNJL-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122119;MM122119;C=C1CCC(O)C1=O;GAFIERYIBXRHKM-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122120;MM122120;O=C1CCC(O)C1=O;VOXOULOBDLIKPA-UHFFFAOYSA-N;114.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122121;MM122121;C=C1CCC(F)C1=O;BOBWFXLVCMFGJW-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122122;MM122122;O=C1CCC(F)C1=O;PGCSWVBNZASAAH-UHFFFAOYSA-N;116.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122123;MM122123;C=C1C(=N)NCC1C;BWNZKUFELBZBBJ-UHFFFAOYSA-N;110.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122124;MM122124;C=C1C(=O)NCC1C;SMDOEYHNQYPEFE-UHFFFAOYSA-N;111.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122125;MM122125;C=C1C(=N)NCC1N;SYNDEIYCYHRCCO-UHFFFAOYSA-N;111.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122126;MM122126;C=C1C(=O)NCC1N;JVOGZVFLVLCOME-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122127;MM122127;C=C1C(=N)NCC1O;RKHUSEKPRIOYKB-UHFFFAOYSA-N;112.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122128;MM122128;C=C1C(=O)NCC1O;NJHQXAGXXOUAGR-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122129;MM122129;C=C1C(=N)NCC1F;IRGCTCWUICSEFR-UHFFFAOYSA-N;114.12;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122130;MM122130;C=C1C(=O)NCC1F;OBKBXIGXHPQCAM-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122131;MM122131;CNc1[nH]oc(=NN)c1C;FCZAXHKQWYLCOP-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122132;MM122132;CC1CNC(=O)C1=O;DLHUTMNTMDKUHE-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122133;MM122133;CC#CC1=NNC(=N)C1C;BVVLAYVJJQYSNN-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122134;MM122134;O=C1NCC(O)C1=O;UIMHVBMMMHGQES-UHFFFAOYSA-N;115.09;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122135;MM122135;CCC12CCC(=NO)N1C2;KQXIJABMRHJGRE-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122136;MM122136;O=C1NCC(F)C1=O;SSOCJFWTDRCWNZ-UHFFFAOYSA-N;117.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122137;MM122137;C=C1OCC(C)C1=C;JJUOZKIMVQZLEX-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122138;MM122138;C=C1C(=O)OCC1C;ZFHFDZCWLKLJPP-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122139;MM122139;C=C1OCC(N)C1=C;WZVWDIHARAPARR-UHFFFAOYSA-N;111.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122140;MM122140;C=C1OCC(O)C1=C;OJMYJFMTPPGOPI-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122141;MM122141;C=C1C(=O)OCC1O;BFLSLERVRLOFCX-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122142;MM122142;C=C1OCC(F)C1=C;ZHDMOMPOKGVAHL-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122143;MM122143;C=C1C(=O)OCC1F;XUAUWYXEROJWDS-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122144;MM122144;C=C1OCC(C)C1=O;XFDYIKDHJMOGMB-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122145;MM122145;CC1COC(=O)C1=O;OOFOOOAUTFRJPH-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122146;MM122146;C=C1OCC(O)C1=O;KAWZKUVHEHTBGG-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122147;MM122147;O=C1OCC(O)C1=O;MFFNSLKCUZEAFI-UHFFFAOYSA-N;116.07;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122148;MM122148;C=C1OCC(F)C1=O;UXMOKQZPYVEWPS-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122149;MM122149;O=C1OCC(F)C1=O;YSIBQIBJQJWUBW-UHFFFAOYSA-N;118.06;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122150;MM122150;C=C1CNC(C)C1=C;SIMRVVRMRLVXKC-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122151;MM122151;Cc1[nH]cc(O)c1O;UJAZLJDERQFBEF-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122152;MM122152;C=C1C(=N)NNC1C;SCCQLJNKRHXZJB-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122153;MM122153;C=C1C(=O)NNC1C;IZMDOVSEFMBIAK-UHFFFAOYSA-N;112.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122154;MM122154;O=c1onnc(CF)c1O;HIPWKOMDNAJXFC-UHFFFAOYSA-N;146.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122155;MM122155;Oc1nc(F)c(F)n1O;YHRQVXULGYYJAJ-UHFFFAOYSA-N;136.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122156;MM122156;C=C1COC(C)C1=C;GOYHAXBSRMVRMY-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122157;MM122157;C=C1C(=O)COC1C;GTQTYMWXWLHOIB-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122158;MM122158;C=C1COC(C)C1=O;SFCHQUGNOXVWKV-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122159;MM122159;C=C1C(=N)NOC1C;JNHMSKWBLKCZGR-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122160;MM122160;C=C1C(=O)NOC1C;BQFUSOMOCHGYHT-UHFFFAOYSA-N;113.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122161;MM122161;Cc1cc(=O)nc(O)n1C;OCUWGDBSGJMUNG-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122162;MM122162;C=C(F)C(=O)NOCCO;JFGBNEOVIHXVNB-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122163;MM122163;C=C1CCN(C)C1=N;XKOJQXPKDGEBNN-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122164;MM122164;N=CN=CNC(N)=O;MDGJFOBXEGDROB-UHFFFAOYSA-N;114.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122165;MM122165;C=C1CCN(N)C1=N;ZGNRJRDMHLREEP-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122166;MM122166;C=C1CCN(O)C1=N;HJJSSNXACSFOSF-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122167;MM122167;CC(=CN)C(C)=NO;URKUCCUMSPZYOT-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122168;MM122168;C=C1CCN(C)C1=O;AFXKUUDFKHVAGI-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122169;MM122169;CN1CCC(=O)C1=O;DHFODCCTNFXCCQ-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122170;MM122170;C=C1CCN(N)C1=O;LZOXAMKNLJMTNN-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122171;MM122171;C=C1CCN(O)C1=O;QYDRYPGLCMNHAC-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122172;MM122172;C=C1CNN(C)C1=N;CDLMYEUUWZAVON-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122173;MM122173;C=C1CNN(C)C1=O;KXAVYSIZNMSMGC-UHFFFAOYSA-N;112.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122174;MM122174;Oc1c2oc(c1O)OC2;QXIOQZNRNXOVGX-UHFFFAOYSA-N;128.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122175;MM122175;Cc1cnc(=O)n(O)c1;XMJULWASOVROCE-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122176;MM122176;O=C(C=NO)C(F)(F)CO;XSJLGQGXHVMWHJ-UHFFFAOYSA-N;153.08;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122177;MM122177;C=c1cnc(=O)n(O)c1=C;BMYIBRKYKXJGLC-UHFFFAOYSA-N;138.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122178;MM122178;COC(=O)C(=O)C=NO;MXOJCEMYEJUPQK-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122179;MM122179;CN(C)N=c1occ(O)o1;YHIKATCYMMXLDW-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122180;MM122180;O=CC(=NO)C(C=O)CO;XCPDFUGFWSHYFK-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122181;MM122181;CCNN=c1occ(O)o1;LXIPEFUNKFKNQZ-UHFFFAOYSA-N;144.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122182;MM122182;C#CC(F)=C(C#N)C=NO;SDADZWDJMARCRQ-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122183;MM122183;C=Cc1nc(C)c(O)o1;ZCSBNFPRCPHENA-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122184;MM122184;COC(C=NO)C(F)=CF;CTUDODBXQLAQJS-UHFFFAOYSA-N;151.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122185;MM122185;CCOCC(CC#N)=NO;DKQWLKBWTJQYCQ-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122186;MM122186;C=C1CON(C)C1=N;OGONKHZTHFCSBT-UHFFFAOYSA-N;112.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122187;MM122187;C=C1CON(C)C1=O;MUWHWCTTZNWZHV-UHFFFAOYSA-N;113.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122188;MM122188;Oc1[nH]c(CF)nc1F;LGTNASLGMGIBTG-UHFFFAOYSA-N;134.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122189;MM122189;N=c1c(N)non1N;PLLSYFCEVNVUSE-UHFFFAOYSA-N;115.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122190;MM122190;CCC(OC)C(CO)=NO;QUYNQGMRHFUMRY-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122191;MM122191;CN=C1CC(C)=NN1;CFWSOAMBCKWKPR-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122192;MM122192;Cn1c(=O)c(=O)n(O)n1C;AZRYNYZDRJWCCY-UHFFFAOYSA-N;145.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122193;MM122193;Cn1onc(N)c1=O;PCAJROJQJOONJU-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122194;MM122194;CCn1cc(C)c(O)n1;CPQGMJXTNLYCBP-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122195;MM122195;CNc1nnc(N)[nH]1;IDPVERHXDUGTRN-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122196;MM122196;Cc1c(O)nn(C)c1O;ZQMFNKXCJWOREN-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122197;MM122197;Cc1cn(CC#N)nc1O;HDRHHBIKPXHIND-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122198;MM122198;Cn1[nH]n(N)c(=O)c1=NN;KXEYTWZGBNHQTD-UHFFFAOYSA-N;144.14;-3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122199;MM122199;C=C1CCC(=C)C1=C;MJXSODRMFBTUJA-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122200;MM122200;C=C1CCC(=O)C1=C;UBCGHFYHKDWFQF-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122201;MM122201;C=C1C(=O)CCC1=O;MLKBDUKURHYFKP-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122202;MM122202;C=C1CCC(=C)C1=O;YSNUEAMEIBOMEC-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122203;MM122203;C=C1CCC(=O)C1=O;DWTCXMSQQKZFOP-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122204;MM122204;O=C1CCC(=O)C1=O;IONFSDQYBFORDJ-UHFFFAOYSA-N;112.08;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122205;MM122205;C=C1CNC(=N)C1=C;SXJXQDBEFBDXHZ-UHFFFAOYSA-N;108.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122206;MM122206;C=C1CNC(=O)C1=C;JRAUYAFQKVIHQW-UHFFFAOYSA-N;109.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122207;MM122207;C=C1C(=O)CNC1=O;XPDBGQAKNVHQKT-UHFFFAOYSA-N;111.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122208;MM122208;C=C1CNC(=N)C1=O;BJTOULQAJSQCCO-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122209;MM122209;C=C1CNC(=O)C1=O;RRHZAJJDXBXHED-UHFFFAOYSA-N;111.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122210;MM122210;N=C1NCC(=O)C1=O;GSYHHKQJVPXXEL-UHFFFAOYSA-N;112.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122211;MM122211;O=C1CNC(=O)C1=O;VECCLQIBJSOYLN-UHFFFAOYSA-N;113.07;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122212;MM122212;C=C1COC(=C)C1=C;LUOSWYVDCDKTLM-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122213;MM122213;C=C1COC(=O)C1=C;VAMBNTJIRWDFLU-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122214;MM122214;C=C1C(=O)COC1=O;CLCYLDOIKRHUDX-UHFFFAOYSA-N;112.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122215;MM122215;C=C1COC(=C)C1=O;WVARZQQUHXFWBP-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122216;MM122216;C=C1COC(=O)C1=O;VQRGCDVRZXEFGY-UHFFFAOYSA-N;112.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122217;MM122217;C=C1OCC(=O)C1=O;XTOIAQYQOBROLY-UHFFFAOYSA-N;112.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122218;MM122218;C=C1C(=N)NNC1=N;OOWNTBVONKCQSD-UHFFFAOYSA-N;110.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122219;MM122219;CC(=N)NC(=O)N(C)C;PMPPJRRRFYKANJ-UHFFFAOYSA-N;129.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122220;MM122220;CN=CN=CNC(N)=O;ZMXIQEIOOOPEQE-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122221;MM122221;C=C1C(=O)NOC1=O;BAASGGSYUBUDSG-UHFFFAOYSA-N;113.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122222;MM122222;NN=CN=CNC(N)=O;ODFCRUDGWLYTJH-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122223;MM122223;O=C1NOC(=O)C1=O;POIDAWWSORPVLI-UHFFFAOYSA-N;115.04;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122224;MM122224;CC1C=CC(C)C1C;DDAHBPFLOUFUBI-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122225;MM122225;CC1C=CC(N)C1C;LHYBMNPFTCGBQW-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122226;MM122226;CC1C(=N)NC(=O)C1C;IJIZUVYAZAOAHI-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122227;MM122227;CC1C(N)C=CC1N;YJHZUMGQWBARGP-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122228;MM122228;CC1C(N)C=CC1O;SGMQPXHJOKCFFW-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122229;MM122229;CC1C(N)C=CC1F;KJYWASRIGSJRKP-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122230;MM122230;CC1C(O)C=CC1O;DDHFYZFPMOTEBJ-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122231;MM122231;CC1C(O)C=CC1F;IRBWHMBSTJLWHO-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122232;MM122232;CC1C(F)C=CC1F;QDLHSHLFUNUBKT-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122233;MM122233;CC1C=CC(C)C1N;CCYZTECBSLKGRN-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122234;MM122234;CC1C=CC(N)C1N;SXKNLUHGWPJCNS-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122235;MM122235;CC1C=CC(O)C1N;DTTUFQFDJTXXIZ-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122236;MM122236;CC1C=CC(F)C1N;AGKBUIXFEQDPAL-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122237;MM122237;NC1C=CC(N)C1N;PGFLXIMWEBWMOS-UHFFFAOYSA-N;113.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122238;MM122238;NC1C=CC(O)C1N;QBIOFGPOBWVGSK-UHFFFAOYSA-N;114.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122239;MM122239;NC1C=CC(F)C1N;JGUACNLEXAJNRF-UHFFFAOYSA-N;116.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122240;MM122240;NC1C(O)C=CC1F;SSGJKDYDBZATBK-UHFFFAOYSA-N;117.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122241;MM122241;CCCc1cn(O)cn1;UEBJOHCJJJHRDA-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122242;MM122242;CC1C=CC(N)C1O;MONFUSMISAXJPN-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122243;MM122243;CC1C=CC(O)C1O;RRFYNZOHHNEHCG-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122244;MM122244;CC1C=CC(F)C1O;QNSHCTRSOAKCHE-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122245;MM122245;NC1C=CC(N)C1O;HWQKWTBJJPVZJY-UHFFFAOYSA-N;114.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122246;MM122246;NC1C=CC(O)C1O;ANZCXRBBDIYAAL-UHFFFAOYSA-N;115.13;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122247;MM122247;NC1C=CC(F)C1O;BNSWSRNBOSTPPL-UHFFFAOYSA-N;117.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122248;MM122248;OC1C(F)C=CC1F;IBFMAWQWFYIBTK-UHFFFAOYSA-N;120.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122249;MM122249;CC1C=CC(N)C1F;CLRAUJPMPYZNOA-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122250;MM122250;CC1C=CC(O)C1F;OXWJCHOCYSSPCH-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122251;MM122251;CC1C=CC(F)C1F;PWTWZBDQCWWTQS-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122252;MM122252;NC1C=CC(N)C1F;CBSVAEJRNCUYPB-UHFFFAOYSA-N;116.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122253;MM122253;CC1C=NN(C)C1C;QZXPNIFNBFPOML-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122254;MM122254;CNn1cnc(N)c1O;QHDYOSZMDWHGRL-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122255;MM122255;C=CC1CC(=NO)NN1;KFBBYRHFECELEK-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122256;MM122256;CC1N=CN(C)C1C;JMZUMXFZBLCVCE-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122257;MM122257;CN=CNC(=O)C1CN1;NWBVJLXGAAZHFR-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122258;MM122258;CC1C=CC(C)N1C;GTAFDBOJNGTOIF-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122259;MM122259;C=C1C=CC(C)C1C;DMHLJBQFSLXHJX-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122260;MM122260;CC1C=CC(=O)C1C;BZVMUEZSBHAIJA-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122261;MM122261;C=C1C=CC(N)C1C;MHAZWWLIAYDXDX-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122262;MM122262;CC(=NCC=O)NC(N)=O;LYFZNTKLUYNINT-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122263;MM122263;CC1C(=O)C=CC1O;YBOSXQPPIAJHBR-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122264;MM122264;C=C1C=CC(F)C1C;AQNOKSYELVIUGR-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122265;MM122265;CC1C(=O)C=CC1F;AOJHYGIIUJQNHB-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122266;MM122266;C=C1C=CC(C)C1N;ROQDTLSWNVLLOZ-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122267;MM122267;C=C1C=CC(N)C1N;HJNJBXVKEUYLJD-UHFFFAOYSA-N;110.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122268;MM122268;C=C1C=CC(O)C1N;YFMDZZDHAUFJIG-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122269;MM122269;C=C1C=CC(F)C1N;PNZPHGCNBLXXGK-UHFFFAOYSA-N;113.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122270;MM122270;CCN(N)C(=O)NC(C)=O;KFEOYIOIQZXHND-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122271;MM122271;CC1C=CC(=O)C1O;HHRWLPSFRHWAPU-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122272;MM122272;C=C1C=CC(N)C1O;BGGVJZAOOYJGLK-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122273;MM122273;C=C1C=CC(O)C1O;JASUENMFWQHHSN-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122274;MM122274;C=C1C=CC(F)C1O;OJFDLSKGPATDHA-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122275;MM122275;O=C1C=CC(F)C1O;UEJROXGYKAIFBH-UHFFFAOYSA-N;116.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122276;MM122276;C=C1C=CC(C)C1F;DXBNFKLWPYTXMI-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122277;MM122277;Cc1c(O)ccn1C;GGTFKMPTODTOEA-UHFFFAOYSA-N;111.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122278;MM122278;CC1C(=O)N=CN1C;RRMRQTWQGGZVGY-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122279;MM122279;CNN(C)C(=O)NC(C)=O;LLDLNIFPCRMDGI-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122280;MM122280;CC(=NO)N(N)CC(N)=O;FRXQHKYGISBGKB-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122281;MM122281;CCN=CN=CNC(N)=O;QIMYQYJCSUMHEQ-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122282;MM122282;CC1C(=O)N=CN1O;GASKJZPLTBXZHB-UHFFFAOYSA-N;114.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122283;MM122283;C=C1C=NN(C)C1C;QYFXCSGGZDLZMC-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122284;MM122284;N=c1oc(=O)c(O)nn1O;QLHKJEWFFHPDDO-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122285;MM122285;CC1C=CC(=N)N1C;URQKTRDWXQPZHC-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122286;MM122286;CC1C=CC(=O)N1C;DTCLBQAILKPWQF-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122287;MM122287;CC1C=CC(=N)N1N;NSWHUHGDMYCYEJ-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122288;MM122288;CC1C=CC(=O)N1N;NAEJUMONXTUERT-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122289;MM122289;Cn1ccc(=N)n1C;ZWQIDEGYKVNHCR-UHFFFAOYSA-N;111.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122290;MM122290;Cn1ccc(=O)n1C;LWEYMGQMTZCRFK-UHFFFAOYSA-N;112.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122291;MM122291;Cn1c(=N)ccn1N;NHTNQDIAPAXBMT-UHFFFAOYSA-N;112.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122292;MM122292;Cn1c(=O)ccn1N;QCWLXJVXSMKFGC-UHFFFAOYSA-N;113.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122293;MM122293;Cn1c(=N)ccn1O;NBJDSQUQBBBEBF-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122294;MM122294;Cn1c(=O)ccn1O;GFFKJGCCQFZEDV-UHFFFAOYSA-N;114.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122295;MM122295;Cn1ccc(=N)n1N;ZFMKYOYZXQBUNG-UHFFFAOYSA-N;112.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122296;MM122296;Cn1ccc(=O)n1N;ACCQJXHWOAOHQR-UHFFFAOYSA-N;113.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122297;MM122297;N=c1ccn(N)n1N;KJDVPXSUFICSFV-UHFFFAOYSA-N;113.12;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122298;MM122298;Nn1ccc(=O)n1N;CGTLETDPIREDMQ-UHFFFAOYSA-N;114.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122299;MM122299;C=CN=CN=CNC(N)=O;JDOMBWKENLZVNB-UHFFFAOYSA-N;140.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122300;MM122300;Cn1ccc(=N)n1O;TWWFAPCGZSDTPA-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122301;MM122301;N=c1ccn(N)n1O;NSNIMFVZBJMEOK-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122302;MM122302;Cn1cnc(=N)n1C;BPHOCUKTTQLCJW-UHFFFAOYSA-N;112.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122303;MM122303;Cn1cnc(=O)n1C;BUUBSMLQWYJLPF-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122304;MM122304;Cn1c(=N)ncn1N;SRVCPTPQRGSAHS-UHFFFAOYSA-N;113.12;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122305;MM122305;Cn1c(=O)ncn1N;YDYVAWGNTNIITL-UHFFFAOYSA-N;114.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122306;MM122306;Cn1c(=N)ncn1O;JSJGZEOISACDHJ-UHFFFAOYSA-N;114.11;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122307;MM122307;Cn1c(=O)ncn1O;HOHFLIQYRSVSBW-UHFFFAOYSA-N;115.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122308;MM122308;Cn1cnc(=N)n1N;YBQBCNRCOINHDQ-UHFFFAOYSA-N;113.12;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122309;MM122309;Cn1cnc(=O)n1N;AQDHYPKBXLVBLR-UHFFFAOYSA-N;114.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122310;MM122310;N=c1ncn(N)n1N;TWJBKONHTDXYHT-UHFFFAOYSA-N;114.11;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122311;MM122311;Nn1cnc(=O)n1N;VNWYZBHIHOTFFI-UHFFFAOYSA-N;115.1;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122312;MM122312;N=c1ncn(O)n1N;TWEPXVZSDCTDBW-UHFFFAOYSA-N;115.1;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122313;MM122313;NN(C=NO)CCNC=O;OTWCYKLVCUOZOM-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122314;MM122314;Cn1cnc(=N)n1O;QFVZAMGMUQDFRR-UHFFFAOYSA-N;114.11;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122315;MM122315;N=c1oc(O)c(O)n1O;FAWHBTKOABPHKG-UHFFFAOYSA-N;132.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122316;MM122316;N=c1ncn(N)n1O;DJINUPSLMHKNTG-UHFFFAOYSA-N;115.1;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122317;MM122317;Nn1ccc(=O)c(=O)n1O;CKNBFVKILIZHCA-UHFFFAOYSA-N;143.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122318;MM122318;N=c1ncn(O)n1O;PUEPDMRPCRPTHK-UHFFFAOYSA-N;116.08;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122319;MM122319;Cn1nc(N)cc1O;XARJRWUJVNCNKO-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122320;MM122320;Cn1ncc(=O)n1C;NYEFDZKPZKATCP-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122321;MM122321;Cn1ncc(=O)n1N;LAZOQLXNVXDRSE-UHFFFAOYSA-N;114.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122322;MM122322;N#CC1=CC(=N)C(=O)N1;AJDMRROSQDWZJG-UHFFFAOYSA-N;121.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122323;MM122323;Cn1nnc(=N)n1C;FMQMZZSDECDKNT-UHFFFAOYSA-N;113.12;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122324;MM122324;Cn1nnc(=O)n1C;YXIQBNKLKPDPTJ-UHFFFAOYSA-N;114.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122325;MM122325;Cn1nnc(=O)n1N;NPZSXVSVKFEUOX-UHFFFAOYSA-N;115.1;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122326;MM122326;Cn1nc(N)c(O)c1N;VJAPZNLGXGJMNM-UHFFFAOYSA-N;128.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122327;MM122327;C=C1C=CC(=C)C1C;SHIIRAAIHMYMCS-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122328;MM122328;C=C1C=CC(=O)C1C;UMGVTSFOWVRNGA-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122329;MM122329;CC1C(=O)C=CC1=O;HFXYSMJSQQCXTO-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122330;MM122330;C=C1C=CC(=C)C1N;DLINDPFAKOYLKB-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122331;MM122331;C=C1C=CC(=C)C1O;XKQQYEQKRICQCD-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122332;MM122332;C=C1C=CC(=O)C1O;XLCXBLKWOQEMSO-UHFFFAOYSA-N;110.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122333;MM122333;O=C1C=CC(=O)C1O;IVIZGJBLTDZCPY-UHFFFAOYSA-N;112.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122334;MM122334;C=C1C=CC(=C)C1F;XJKZAQMFYJOQGW-UHFFFAOYSA-N;110.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122335;MM122335;C=C1C=CC(=N)N1C;KBNSMVHOSWIIEZ-UHFFFAOYSA-N;108.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122336;MM122336;C=C1C=CC(=O)N1C;VKUFAIZUNWXRHO-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122337;MM122337;CN1C(=N)C=CC1=N;YCPIQWBDBAPXGR-UHFFFAOYSA-N;109.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122338;MM122338;CN1C(=N)C=CC1=O;WWBGNFNERGTQCE-UHFFFAOYSA-N;110.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122339;MM122339;CN1C(=O)C=CC1=O;SEEYREPSKCQBBF-UHFFFAOYSA-N;111.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122340;MM122340;C=C1C=CC(=O)N1N;KKHIPSGWQZPLEN-UHFFFAOYSA-N;110.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122341;MM122341;N=C1C=CC(=O)N1N;PUDRMGZVHWEZPE-UHFFFAOYSA-N;111.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122342;MM122342;NN1C(=O)C=CC1=O;IKUYBNVFDFWORF-UHFFFAOYSA-N;112.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122343;MM122343;C=C1C=CC(=O)N1O;LLOKRXZCTXVNMB-UHFFFAOYSA-N;111.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122344;MM122344;C=C1C=NC(=N)N1C;LVZPKPJVKKNQEB-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122345;MM122345;CN1C(=N)C=NC1=O;LUODHWYAJSPJRG-UHFFFAOYSA-N;111.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122346;MM122346;CN1C(=N)N=CC1=O;DPMLAJCZSNHOMG-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122347;MM122347;C=C1C=NC(=N)N1N;IMXAMCTXTSNOAN-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122348;MM122348;C=C1C=NC(=O)N1N;FOJQAYTUQWXMOQ-UHFFFAOYSA-N;111.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122349;MM122349;N=C1N=CC(=O)N1N;HDUWOHZPMJNXEL-UHFFFAOYSA-N;112.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122350;MM122350;NN1C(=O)C=NC1=O;WTOZZCDTOOZJJQ-UHFFFAOYSA-N;113.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122351;MM122351;C=CC=C(C)C=CC=NO;XICHWTLPERAFNC-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122352;MM122352;C=C1C(C)C=CC1C;GIFPFRGKYZWRFH-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122353;MM122353;C=C1C(C)C=CC1N;AODDADSKMAKTGH-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122354;MM122354;C=CCNN=C(C)CC#N;CCAJSCZBNKSHQM-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122355;MM122355;C=C1C(C)C=CC1F;WUMDEZCYVIXCJF-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122356;MM122356;C=C1C(N)C=CC1N;DOKVBGSOSVUCQN-UHFFFAOYSA-N;110.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122357;MM122357;C=C1C(N)C=CC1O;RUTUPKSQJNUITG-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122358;MM122358;C=C1C(N)C=CC1F;DGBGQTYXMZZLPD-UHFFFAOYSA-N;113.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122359;MM122359;C=C1C(O)C=CC1O;JGALMWHFPJNWJD-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122360;MM122360;C=C1C(O)C=CC1F;MYTFSXACGGKURD-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122361;MM122361;C=C1C(F)C=CC1F;JEQRQCQCFGUFGN-UHFFFAOYSA-N;116.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122362;MM122362;CC1C=CC(C)C1=O;YVNUZVLSGIDLKB-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122363;MM122363;CC1C=CC(O)C1=O;FNWGTJOMQNNZNV-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122364;MM122364;CC1C=CC(F)C1=O;IMZPUHRGMAGIMW-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122365;MM122365;O=C1C(O)C=CC1O;UPENCGODZBLVDL-UHFFFAOYSA-N;114.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122366;MM122366;O=C1C(O)C=CC1F;SWFJPTLAUISENP-UHFFFAOYSA-N;116.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122367;MM122367;CC1C=CN(C)C1=N;ZGBOXISAMGKOAG-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122368;MM122368;CC1C=CN(N)C1=N;IYDGHGCEVLZQOX-UHFFFAOYSA-N;111.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122369;MM122369;CC1C=CN(O)C1=N;VLEYGFKCMODLKZ-UHFFFAOYSA-N;112.13;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122370;MM122370;CN1C=CC(N)C1=N;STGKXIGUWRFCFA-UHFFFAOYSA-N;111.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122371;MM122371;CN1C=CC(O)C1=N;HRVWLSFNEKFPCW-UHFFFAOYSA-N;112.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122372;MM122372;N=C1C(O)C=CN1N;HXTPPLYNMBMBPH-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122373;MM122373;N=CNC(=O)C(O)C=CF;QHNOCJPOUCPWIH-UHFFFAOYSA-N;146.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122374;MM122374;CC(C)=C(C=NO)C(C)C;BRDZMPXDBUDKDE-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122375;MM122375;CC1C=CN(C)C1=O;PYLLHOBWVWWGFI-UHFFFAOYSA-N;111.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122376;MM122376;CC1C=CN(N)C1=O;FXYLJXWRTYDOQI-UHFFFAOYSA-N;112.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122377;MM122377;CC1C=CN(O)C1=O;GRCRHDITIFIHOH-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122378;MM122378;CN1C=CC(O)C1=O;XPQICZGTJMVIIT-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122379;MM122379;NN1C=CC(O)C1=O;GWEVCUXCZOKIOQ-UHFFFAOYSA-N;114.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122380;MM122380;CN1C=CC(F)C1=O;XXRSVQXKFGQDEG-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122381;MM122381;NN1C=CC(F)C1=O;TZJPJNOTHROZJW-UHFFFAOYSA-N;116.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122382;MM122382;C=CC(CC(C)CO)=NO;RQEZHOUUVKFKGU-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122383;MM122383;C=CC(C)=CC(CC)=NO;BAUFFGHECLOCAY-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122384;MM122384;CN1N=CC(F)C1=N;OJSDSZOHWDUYFD-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122385;MM122385;NC=NOC(=O)C(O)CF;IVFUSDDYGKTQFC-UHFFFAOYSA-N;150.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122386;MM122386;CN1N=CC(O)C1=O;PTYADVZEAIOZJM-UHFFFAOYSA-N;114.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122387;MM122387;CN1N=CC(F)C1=O;QKGGKEMIUKMFNI-UHFFFAOYSA-N;116.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122388;MM122388;C=C1C(C)N=CN1C;VDXVRZHFFJCBLU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122389;MM122389;CC(=NO)C(=CN)C(C)C;CLPZCIYQLNNBAU-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122390;MM122390;CCC(C=CCCO)=NO;ZJDLMJJFIYPDSO-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122391;MM122391;CC1C2C(=NO)NCC12C;JKZFTCQSOUKVBE-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122392;MM122392;C=C(C)C=CC=NO;YKPJSYRUXCMAQR-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122393;MM122393;CC1N=CN(N)C1=O;KRJIOIVJBSXQEF-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122394;MM122394;Cn1ccn(C)c1=N;GRXHHYBJSBUHDU-UHFFFAOYSA-N;111.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122395;MM122395;Cn1ccn(N)c1=N;CZUHLEROZIQLCM-UHFFFAOYSA-N;112.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122396;MM122396;Cn1ccn(O)c1=N;KOLSPRAVWMAAEX-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122397;MM122397;N=c1n(N)ccn1N;WNCFFRDRKGUCPM-UHFFFAOYSA-N;113.12;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122398;MM122398;N=c1n(N)ccn1O;WEKNLDYQZCZXSJ-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122399;MM122399;Cn1ccn(C)c1=O;CFQPVBJOKYSPKG-UHFFFAOYSA-N;112.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122400;MM122400;Cn1ccn(N)c1=O;AUXAZLHMEFMRRI-UHFFFAOYSA-N;113.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122401;MM122401;Nn1ccn(N)c1=O;PILYWWFBZLCWCI-UHFFFAOYSA-N;114.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122402;MM122402;N=c1c(O)ncc(F)n1N;WHSNLBBGSFUSMW-UHFFFAOYSA-N;144.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122403;MM122403;CC1=NNC(=N)C1C;VJPIKRFRKNPPKY-UHFFFAOYSA-N;111.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122404;MM122404;CC(=O)NC(=O)N(C)N;CTDOSBKPLCAFMZ-UHFFFAOYSA-N;131.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122405;MM122405;CC1(C)CC(=O)NC1=N;HXQBVKNHHXPZMU-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122406;MM122406;Cn1cnn(C)c1=O;CRPQCKJNWOETJL-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122407;MM122407;Cn1cnn(N)c1=O;BMONSCGNBKZTLM-UHFFFAOYSA-N;114.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122408;MM122408;NNc1ccn(O)c(=O)n1;SNFHUPMOLAZYGD-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122409;MM122409;Cn1ncn(N)c1=O;ZEBYNMYXQZRGNV-UHFFFAOYSA-N;114.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122410;MM122410;Nn1cnn(N)c1=O;NXFPQPWUJACJER-UHFFFAOYSA-N;115.1;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122411;MM122411;N#CC1(C#N)CC(=O)O1;ZWTFIHCEYGHSOQ-UHFFFAOYSA-N;122.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122412;MM122412;Cn1c(F)c(F)c(=O)n1O;VNRBOGHSTURAAE-UHFFFAOYSA-N;150.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122413;MM122413;Cn1c(O)c(F)c(=O)n1O;GKQDVNSOTLWCAF-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122414;MM122414;O=c1ccon1O;QENCSMHMAXXGJR-UHFFFAOYSA-N;101.06;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122415;MM122415;Cn1nnn(C)c1=N;BBHVKOFBTGXECP-UHFFFAOYSA-N;113.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122416;MM122416;Cn1nnn(N)c1=N;WVVQNTCHJACXPP-UHFFFAOYSA-N;114.11;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122417;MM122417;C=CCC(=N)NC(N)=O;VSCJMHQPDISTPT-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122418;MM122418;CC#CCN(N)C=NO;HAMOHVWKTMITPH-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122419;MM122419;CC1=C(C)C(=O)NC1=N;XCVRZNLZRDHRDQ-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122420;MM122420;Cn1nnn(C)c1=O;GUBKZLXUUZOACU-UHFFFAOYSA-N;114.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122421;MM122421;Cn1nnn(N)c1=O;QLVSHRGELGEQKC-UHFFFAOYSA-N;115.1;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122422;MM122422;Cc1nn(O)c(=O)n1C;WPWZLSUZJVJRST-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122423;MM122423;Nn1nnn(N)c1=O;HBEGYTIKQYWVHH-UHFFFAOYSA-N;116.08;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122424;MM122424;ON=c1c(F)c(F)on1O;DZKYCOVVPZINSQ-UHFFFAOYSA-N;152.06;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122425;MM122425;C#Cc1nc(O)c(O)o1;MKRHONNVKIQNOX-UHFFFAOYSA-N;125.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122426;MM122426;C=C1C=CC(C)C1=C;TWVIDYQABARFBL-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122427;MM122427;C=C1C(=O)C=CC1C;BIAFAFHXFQTSFG-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122428;MM122428;C=C1C=CC(N)C1=C;VIQYRPKELIZMAW-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122429;MM122429;C=C1C=CC(O)C1=C;CHFYKERTQWJWSW-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122430;MM122430;C=C1C(=O)C=CC1O;GPTVFSFUEGWBED-UHFFFAOYSA-N;110.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122431;MM122431;C=C1C=CC(F)C1=C;BHIWPWFYZCBVJS-UHFFFAOYSA-N;110.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122432;MM122432;C=C1C(=O)C=CC1F;XPDZRFHEXUWZBT-UHFFFAOYSA-N;112.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122433;MM122433;C=C1C=CC(C)C1=O;LNBBWBQOFLUKQU-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122434;MM122434;CC1C=CC(=O)C1=O;LLWZPAUNBDVXHS-UHFFFAOYSA-N;110.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122435;MM122435;C=C1C=CC(O)C1=O;XQGWIGAKNMVZHI-UHFFFAOYSA-N;110.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122436;MM122436;O=C1C=CC(O)C1=O;PBECSQDQTXLAFA-UHFFFAOYSA-N;112.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122437;MM122437;C=C1C=CC(F)C1=O;OLLQZKLBABKIHD-UHFFFAOYSA-N;112.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122438;MM122438;O=C1C=CC(F)C1=O;CKHWLRXYHBYLSE-UHFFFAOYSA-N;114.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122439;MM122439;C=C1C=CN(C)C1=N;UXXOQZNNUYOZOB-UHFFFAOYSA-N;108.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122440;MM122440;CN1C=CC(=O)C1=N;KIQHHFCZSOSJAU-UHFFFAOYSA-N;110.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122441;MM122441;C=C1C=CN(N)C1=N;LHRAJUUJLBGKPM-UHFFFAOYSA-N;109.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122442;MM122442;CCN=C1CCC(=O)N1;BVVGENPOKBEUJX-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122443;MM122443;C=C1C=CN(C)C1=O;SMGXWSLOUASMSS-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122444;MM122444;CN1C=CC(=O)C1=O;CUSCAMUWVORCCB-UHFFFAOYSA-N;111.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122445;MM122445;C=C1C=CN(N)C1=O;PDIMPMVDKQBXAG-UHFFFAOYSA-N;110.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122446;MM122446;C=C1C=CN(O)C1=O;BKYZADNZQNDRQO-UHFFFAOYSA-N;111.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122447;MM122447;C=C1C(=N)N=CN1C;HSDAJLQBBPZXLA-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122448;MM122448;C=C1C(=O)N=CN1C;MREVBZODBWMPRT-UHFFFAOYSA-N;110.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122449;MM122449;C=C1C(=N)N=CN1N;BREOONASVGFLFP-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122450;MM122450;C=C1C(=O)N=CN1N;YMYVFKQADOUGQV-UHFFFAOYSA-N;111.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122451;MM122451;N#CC1=CCN(O)C1=N;UUMNRGZDPSJYDI-UHFFFAOYSA-N;123.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122452;MM122452;C=C1C(=O)N=CN1O;UIOLIWUHYYZKMW-UHFFFAOYSA-N;112.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122453;MM122453;CN1C=NC(=N)C1=N;BNHREKFJKVNQQM-UHFFFAOYSA-N;110.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122454;MM122454;CN1C=NC(=O)C1=N;RDULWNLYPIZTPB-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122455;MM122455;N=C1N=CN(N)C1=N;IDWLPBAYQVSEAR-UHFFFAOYSA-N;111.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122456;MM122456;N=C1C(=O)N=CN1N;XZGPYEOGRPHESG-UHFFFAOYSA-N;112.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122457;MM122457;NNC(=NO)NOC=O;GSKDSKSPOLWCNN-UHFFFAOYSA-N;134.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122458;MM122458;N=C1C(=O)N=CN1O;YKVUMHKYNKHJEE-UHFFFAOYSA-N;113.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122459;MM122459;CN1C=NC(=N)C1=O;MELQLNNPCVAPPI-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122460;MM122460;CN1C=NC(=O)C1=O;MZUKQFJGKOKSAZ-UHFFFAOYSA-N;112.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122461;MM122461;N=C1N=CN(N)C1=O;JTBLERLATWYZEV-UHFFFAOYSA-N;112.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122462;MM122462;NN1C=NC(=O)C1=O;UINHXRQGSFOFKQ-UHFFFAOYSA-N;113.08;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122463;MM122463;C=C1C=NN(C)C1=N;YKIYKZQFEOTYHC-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122464;MM122464;CN1N=CC(=O)C1=N;QXRNQRBOQQLCEG-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122465;MM122465;C=C1C=NN(C)C1=O;QNRGRTJQWPRCIK-UHFFFAOYSA-N;110.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122466;MM122466;CN1N=CC(=O)C1=O;OWKVKSVTKKASTG-UHFFFAOYSA-N;112.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122467;MM122467;C=C1C=CC(=C)C1=C;GYXUPBGUVGNDRS-UHFFFAOYSA-N;104.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122468;MM122468;C=C1C=CC(=O)C1=C;WBKWVQVXNLLNGR-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122469;MM122469;C=C1C(=O)C=CC1=O;BFDIWICAGSJRDZ-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122470;MM122470;C=C1C=CC(=C)C1=O;MBPWRSYJWDGDRO-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122471;MM122471;C=C1C=CC(=O)C1=O;OCNFRSNNWWYYAW-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122472;MM122472;C=C1C=NC(=N)C1=C;MQHXLJAHTUTNKH-UHFFFAOYSA-N;106.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122473;MM122473;C=C1C=NC(=O)C1=C;JKCHDNRKVBRCKH-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122474;MM122474;C=C1C(=N)N=CC1=O;FMEKZVKUFNTLHE-UHFFFAOYSA-N;108.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122475;MM122475;C=C1C(=O)C=NC1=O;YPWBMQXFWGJPIL-UHFFFAOYSA-N;109.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122476;MM122476;C=C1C=NC(=N)C1=O;LWRNODBIFCXFSZ-UHFFFAOYSA-N;108.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122477;MM122477;C=C1C=NC(=O)C1=O;YPFVDUBOOKBHQX-UHFFFAOYSA-N;109.08;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122478;MM122478;N=c1ncc(=O)c1=O;JAPNKEGDIMWNSB-UHFFFAOYSA-N;110.07;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122479;MM122479;O=c1cnc(=O)c1=O;UJCAUEADPGETTH-UHFFFAOYSA-N;111.06;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122480;MM122480;CC1=CCC(C)C1C;WPZMTFXHMPUZJA-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122481;MM122481;CC1CC=C(F)C1C;RKIOBJITTQTBJJ-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122482;MM122482;CC1=CCC(N)C1C;HWPSLWLZMNVPIL-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122483;MM122483;CC1C(F)=CCC1N;XTGKPVXPRHXFBA-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122484;MM122484;NN=C1CC(=NN)ON1;LERZUPMWAXUMGA-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122485;MM122485;CC1C(F)=CCC1O;ZEDNIXUEEFCYRV-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122486;MM122486;CC1=CCC(F)C1C;QOCDEPJCJDQOEJ-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122487;MM122487;CC1C(F)=CCC1F;QPLMGEUZHUDZSF-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122488;MM122488;CC1=CCC(C)C1N;DRPIATOAKCKNPL-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122489;MM122489;CC1CC=C(F)C1N;DZJRHBDXHXNCNO-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122490;MM122490;CC1=CCC(N)C1N;UNMNGBXFQVUKMR-UHFFFAOYSA-N;112.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122491;MM122491;NC1CC=C(F)C1N;LMRRYZFLJPKDLS-UHFFFAOYSA-N;116.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122492;MM122492;CC1=CCC(O)C1N;SYPFKIDZFVGKNY-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122493;MM122493;CC1=CCC(F)C1N;PGGQSSVXYZLGRU-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122494;MM122494;CC(C)=CCCC(C)=NO;UUTIAUFCXVFAOM-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122495;MM122495;CC1=CCC(N)C1O;SJMTZJGLFMGDDZ-UHFFFAOYSA-N;113.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122496;MM122496;NC1CC=C(F)C1O;JIURVKSDCSRFPD-UHFFFAOYSA-N;117.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122497;MM122497;CC1=CCC(N)C1F;ODJJOKHDMSNNEU-UHFFFAOYSA-N;115.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122498;MM122498;CC1=CCC(O)C1F;SRZMZSVGVBDVRL-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122499;MM122499;CC1=NNC(C)C1C;NBUOBRBXCTZHFM-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122500;MM122500;N#CC(O)CC(=N)NC=O;NMDIDRZEYRHFHJ-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122501;MM122501;CC1=COC(C)C1C;UMIZNCJSVMZXQN-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122502;MM122502;CC1OC=C(F)C1C;NKPCFUJZPMLGIV-UHFFFAOYSA-N;116.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122503;MM122503;CC1=COC(C)C1N;ADNZDUDQTNQEBB-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122504;MM122504;CC1=COC(C)C1O;MSIFNOBCJKIZIT-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122505;MM122505;CC1=NOC(C)C1C;CETCMFCNCZKVTM-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122506;MM122506;CCC(=O)NC(=N)CC=O;CJFKFOVBBKAAOZ-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122507;MM122507;CC1=NCC(C)N1C;JJFJUNCWHOYONS-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122508;MM122508;CC1=NCC(C)N1N;CKCUFIKVNSJJKK-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122509;MM122509;C=C1CC=C(C)C1C;BZVIGRUQMYAOQR-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122510;MM122510;C=C1CC=C(F)C1C;JNNLKMQXOJATMT-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122511;MM122511;CC1=CCC(=O)C1C;PBHUXNWYJUPTTE-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122512;MM122512;C=C1CC=C(C)C1N;GNERERKXZKRCJG-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122513;MM122513;C=CC(=O)NC(=O)NNC;WDBSUUIORVHGKL-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122514;MM122514;C=C1CC=C(F)C1O;DAYILHNUAVAKJA-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122515;MM122515;CC1=CCC(=O)C1O;BDEGCSLBSIYLQU-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122516;MM122516;C=C1CC=C(C)C1F;ZGYVAKIAECAEIG-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122517;MM122517;CC1=CNC(=N)C1C;OSGVXEOCACIGLM-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122518;MM122518;CC1C(=N)NC=C1F;KZIWWOGGMRFWOG-UHFFFAOYSA-N;114.12;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122519;MM122519;CC1=CNC(=O)C1C;VEXOXPZRINVDMD-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122520;MM122520;CC1C(=O)NC=C1F;WFJVPZSHRUAVST-UHFFFAOYSA-N;115.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122521;MM122521;CC1=CNC(=N)C1N;JDAQSDITDIFMDZ-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122522;MM122522;CC1=CNC(=N)C1O;AVTPECFSLYPXIS-UHFFFAOYSA-N;112.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122523;MM122523;CC1=CNC(=O)C1O;ZQHRWCMYOKTRBQ-UHFFFAOYSA-N;113.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122524;MM122524;CN(C=NO)CC(=O)C=O;XPTLUUUPZFJUTM-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122525;MM122525;CC1=NNC(=O)C1C;PRCIXKQBKWRGMA-UHFFFAOYSA-N;112.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122526;MM122526;C=NNC(C=C(C)C)=NO;BNNSHLCHJBISMF-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122527;MM122527;CC1=NNC(=O)C1O;DWPFBOOIYPLBQY-UHFFFAOYSA-N;114.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122528;MM122528;C=C1OC=C(C)C1C;ZWEJLHBSXDZZGT-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122529;MM122529;CC1=COC(=O)C1C;GWEAOYIEQOTGNJ-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122530;MM122530;CC1C(=O)OC=C1F;KYSLRYVUJBLCOG-UHFFFAOYSA-N;116.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122531;MM122531;C=C1OC=C(C)C1N;TVUAFTYYNIRZJZ-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122532;MM122532;CNNC(=O)OC=NOC;QIFVBQDEWCEFBK-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122533;MM122533;C=C1OC=C(C)C1O;PPXVYELRIRITRU-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122534;MM122534;C=C1OC=C(F)C1O;ILLCLIMYDOUMHS-UHFFFAOYSA-N;116.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122535;MM122535;CC1=NOC(=O)C1C;UYYXCVRLRKSYAA-UHFFFAOYSA-N;113.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122536;MM122536;CC(C=CC=NO)CCO;OIHAZEDGABXIAQ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122537;MM122537;CC1=NOC(=O)C1O;JINBQIXXLIIPKG-UHFFFAOYSA-N;115.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122538;MM122538;CC1=CCC(=N)N1C;IMDBSBDFOGCYQJ-UHFFFAOYSA-N;110.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122539;MM122539;CC1=CCC(=O)N1C;WLVNPSKGCPCQML-UHFFFAOYSA-N;111.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122540;MM122540;CC1=CCC(=N)N1N;XMRWVVWJFKQFHG-UHFFFAOYSA-N;111.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122541;MM122541;CC1=CCC(=O)N1O;QDPODLLJGWQZQU-UHFFFAOYSA-N;113.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122542;MM122542;C=C1CN=C(C)N1C;HBRWXLYPMULMGN-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122543;MM122543;CC12CC1CC(=O)NC2=N;DKIKZVPPKXAYBQ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122544;MM122544;C=C1CN=C(C)N1N;IUMMSGYFMLABCX-UHFFFAOYSA-N;111.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122545;MM122545;C=C(CC)CCC(C)=NO;PPKPXTQHQNFVIQ-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122546;MM122546;CC1=NCC(=O)N1N;BZUALWYFRTUMOW-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122547;MM122547;CC=C(C)CCC(C)=NO;ONARDLXIBNBCEP-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122548;MM122548;Cc1c[nH]c(=N)n1C;HLEIGKIQLNEZMS-UHFFFAOYSA-N;111.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122549;MM122549;Cn1c(N)c[nH]c1=N;DEHXZUOBUPWKEW-UHFFFAOYSA-N;112.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122550;MM122550;Cn1c(O)c[nH]c1=N;GRJLJCXPBKFBDD-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122551;MM122551;Cn1c(F)c[nH]c1=N;ULVPCXTUKVIUEQ-UHFFFAOYSA-N;115.11;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122552;MM122552;Cc1c[nH]c(=O)n1C;XPCSTLGFZSTVNZ-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122553;MM122553;Cn1c(N)c[nH]c1=O;YLNUTNZJPRHHTE-UHFFFAOYSA-N;113.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122554;MM122554;Cn1c(F)c[nH]c1=O;MHENGEBEYNADAI-UHFFFAOYSA-N;116.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122555;MM122555;Cc1c[nH]c(=N)n1N;OIJSUEKALFGEKW-UHFFFAOYSA-N;112.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122556;MM122556;N=c1[nH]cc(N)n1N;SAGQRNGADQPRLE-UHFFFAOYSA-N;113.12;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122557;MM122557;N=c1[nH]cc(O)n1N;XFPPRTUZXQCVEI-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122558;MM122558;N=c1[nH]cc(F)n1N;DBQAHMBRHLJPHN-UHFFFAOYSA-N;116.1;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122559;MM122559;Cc1c[nH]c(=O)n1N;MXLYAJAKMGLLHN-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122560;MM122560;Nc1c[nH]c(=O)n1N;LJOSMOYFHGOELJ-UHFFFAOYSA-N;114.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122561;MM122561;Nn1c(F)c[nH]c1=O;BZRXUDASLVFBDD-UHFFFAOYSA-N;117.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122562;MM122562;Cc1c[nH]c(=N)n1O;ZQBHSCZQMODBFC-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122563;MM122563;N=c1[nH]cc(N)n1O;WGCVOHNWMIXUSP-UHFFFAOYSA-N;114.11;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122564;MM122564;COc1coc(F)c1O;HMPCBZSSHXFOAT-UHFFFAOYSA-N;132.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122565;MM122565;Cc1oc(O)c(F)c1F;AJNNDNJLKFOVPR-UHFFFAOYSA-N;134.08;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122566;MM122566;Cc1n[nH]c(=O)n1C;BVNFZLFQKJYVDJ-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122567;MM122567;Cn1c(N)n[nH]c1=O;QHELAEITSNOMGT-UHFFFAOYSA-N;114.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122568;MM122568;CCc1cnc(=O)n(O)c1;RUXPZAYSGONYFM-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122569;MM122569;Cc1n[nH]c(=O)n1N;RSHSEEWONPESSP-UHFFFAOYSA-N;114.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122570;MM122570;Nc1n[nH]c(=O)n1N;NJELIJIXLALKNE-UHFFFAOYSA-N;115.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122571;MM122571;C=Cc1ccn(O)c(=O)n1;ZZKWTCJDYTZPDX-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122572;MM122572;N#Cc1[nH]oc(=NO)c1N;SHRXCZYFYLJFOG-UHFFFAOYSA-N;140.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122573;MM122573;CC(=NO)C(F)=C(F)C=O;XGBADJBVJXVKQN-UHFFFAOYSA-N;149.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122574;MM122574;Cc1coc(=N)n1C;QIHGHXUKVYTZKP-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122575;MM122575;Cn1c(N)coc1=N;JMUPBCIYPYBEAV-UHFFFAOYSA-N;113.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122576;MM122576;Cn1c(F)coc1=N;LBJTXWOJQDHRET-UHFFFAOYSA-N;116.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122577;MM122577;Cc1coc(=O)n1C;UOKKXCSROHZNNO-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122578;MM122578;Cn1c(N)coc1=O;QYNWQYOOZLJGEA-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122579;MM122579;N#Cc1cc(F)n(O)n1;UYFUFLSHPAQGAC-UHFFFAOYSA-N;127.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122580;MM122580;Cn1c(F)coc1=O;DPUPXTZTXMKECT-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122581;MM122581;N=c1occ(F)n1N;NORWDWYLGZUDOF-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122582;MM122582;Cc1coc(=O)n1N;MCNBAIWQHWRIHI-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122583;MM122583;Nc1coc(=O)n1N;NIJCICRZYUIJHP-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122584;MM122584;OCCOC(CF)=NO;MQYZKBSYCOPCJV-UHFFFAOYSA-N;137.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122585;MM122585;Nn1c(F)coc1=O;LKLHWNOAAPSVGO-UHFFFAOYSA-N;118.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122586;MM122586;CC(=CC(=NO)NN)CF;BGHULHRLKOWPFS-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122587;MM122587;CCC=CCCC(C)=NO;JAMNGBJQGUTPMJ-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122588;MM122588;C#CC(=NO)C(C#C)C#N;RZVXAEWOJVMUIQ-UHFFFAOYSA-N;132.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122589;MM122589;ON=CC(F)C1CO1;LBQBIUWDRWKMAD-UHFFFAOYSA-N;119.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122590;MM122590;Oc1cc(CF)[nH]n1;VDXWLWFUMTWHMP-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122591;MM122591;CC(N)=C(F)C(CO)=NO;GRAGMXMAWOGALT-UHFFFAOYSA-N;148.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122592;MM122592;Cc1noc(=N)n1C;QDHRHCMFVDNOMP-UHFFFAOYSA-N;113.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122593;MM122593;Cc1c(O)n(O)c(=O)n1N;OXSUDKLXTZQAAK-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122594;MM122594;Cc1noc(=O)n1C;CDWXJMPKYSEMKJ-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122595;MM122595;Cn1c(N)noc1=O;CJRNCWIGCIQRBT-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122596;MM122596;Nn1cnc(=O)[nH]c1=O;HIUSJCCJQZSYRQ-UHFFFAOYSA-N;128.09;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122597;MM122597;Cc1noc(=N)n1N;ROSGUDAZHPVEGA-UHFFFAOYSA-N;114.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122598;MM122598;N=c1onc(N)n1N;LRELKSKTNHAKJE-UHFFFAOYSA-N;115.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122599;MM122599;C=Cc1cc(O)n(C)n1;VJGWNDMLSUUXLT-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122600;MM122600;Cc1noc(=O)n1N;WMDYNOPBYUAIEY-UHFFFAOYSA-N;115.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122601;MM122601;CCC(O)CC=CC=NO;WQIFCERUSMUSIM-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122602;MM122602;N#CC(=NO)N(O)C=N;JNIOEPAIFPBAMK-UHFFFAOYSA-N;128.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122603;MM122603;NN=c1[nH]c(N)c(F)n1O;JLVKNJBIYJUQMO-UHFFFAOYSA-N;147.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122604;MM122604;CC1C2CC(=NO)NC12C;CHUCQFBQVJZCLD-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122605;MM122605;CNc1cc(O)n(C)n1;PYKDFGKMJBKDEX-UHFFFAOYSA-N;127.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122606;MM122606;Cn1c(=NO)nc(O)n1N;XYBQXOAMVKXLLR-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122607;MM122607;Cn1ccn(O)c(=O)c1=O;RDJMLVIENMPSKT-UHFFFAOYSA-N;142.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122608;MM122608;O=c1nc(CF)ccn1O;FCBBGLXFQKZTMW-UHFFFAOYSA-N;144.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122609;MM122609;C=C1C(C)=CCC1C;ZTDJKPUBURYBCH-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122610;MM122610;C=C1C(F)=CCC1C;VRNHYADIZYBTGO-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122611;MM122611;C=C1C(C)=CCC1N;RRGCMKBGFVVISI-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122612;MM122612;C=C1C(F)=CCC1N;WWWUGMNZPARDQU-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122613;MM122613;CNC(C=O)C(=N)NC=O;ZHVXCVNMSYEGDF-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122614;MM122614;C=C1C(F)=CCC1O;PEDAPJKBSSLUTK-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122615;MM122615;C=C1C(C)=CCC1F;AOCMFDUGEQDFGA-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122616;MM122616;C=C1C(F)=CCC1F;RISLATAODWNRLB-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122617;MM122617;CC1=CCC(C)C1=O;GBTHLOLSKPVPOD-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122618;MM122618;CC1CC=C(F)C1=O;FVSOYFKJPMMFCN-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122619;MM122619;CC1=CCC(O)C1=O;LBOWEWHGAHIQLH-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122620;MM122620;O=C1C(F)=CCC1O;UAULUUVCPFNWCR-UHFFFAOYSA-N;116.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122621;MM122621;CC1=CCC(F)C1=O;VLONPHCYSXMEMZ-UHFFFAOYSA-N;114.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122622;MM122622;O=C1C(F)=CCC1F;STVYNJNVUDCJCH-UHFFFAOYSA-N;118.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122623;MM122623;Cc1c[nH]c(C)c1O;UAXUNQXFKSUFJI-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122624;MM122624;C=C1C(C)=NNC1C;BYBWYZIVORVMNJ-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122625;MM122625;Cc1cc(=O)n(O)o1;IKNFDTIESWRSFJ-UHFFFAOYSA-N;115.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122626;MM122626;C=C1C(C)=COC1C;PKVWLWCPSUQABV-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122627;MM122627;C=C1C(F)=COC1C;SPGLZMRCLCKRLP-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122628;MM122628;Cn1c(=N)on(O)c1=O;YLCHBUVPSYTQEP-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122629;MM122629;C=C1C(C)=NOC1C;DEEZZWXNPZHBCV-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122630;MM122630;Nc1c(O)c(=O)n(O)n1O;LEQRVBNWSVGCRZ-UHFFFAOYSA-N;147.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122631;MM122631;CC1=CCN(N)C1=N;OUVMJERHFJVIMP-UHFFFAOYSA-N;111.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122632;MM122632;N=C(NC=O)C(=CN)CO;BPSQZFYMNIUGEP-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122633;MM122633;CC1=CCN(C)C1=O;OMJDGBIAKZEAGK-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122634;MM122634;CN1CC=C(F)C1=O;PFRSRSMPTCYJJU-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122635;MM122635;C=CC(=CN)C(=N)NC=O;CVUFIXUZSFNTIL-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122636;MM122636;C=C1C=CC(=NC)NC1=O;CNYLZDCPSWKNBX-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122637;MM122637;CC1=CCN(O)C1=O;HGRSWWRWBLMKHB-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122638;MM122638;O=c1nc(CO)ccn1O;FCESGMBKBWLUBI-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122639;MM122639;C#CCc1cc(F)c(O)o1;IUUFDNYFCXYZIM-UHFFFAOYSA-N;140.11;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122640;MM122640;N#Cc1cocc1O;UMGAXCKCWWJCMB-UHFFFAOYSA-N;109.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122641;MM122641;CCc1occ(O)c1F;DKDUKYMPKMSCJG-UHFFFAOYSA-N;130.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122642;MM122642;C#CC(F)=C(F)C(C)=NO;DOZVUNAMPMEZQR-UHFFFAOYSA-N;145.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122643;MM122643;C=CC1CC1C(C#N)=NO;BTJLNWGOUVMXTF-UHFFFAOYSA-N;136.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122644;MM122644;C=CC(=C)CC(C#N)=NO;WEFJERLVTVWYIJ-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122645;MM122645;COC(C)OC(CF)=NO;JIRXTJZNLRNBEI-UHFFFAOYSA-N;151.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122646;MM122646;COC(=NO)C(C)(C)F;QIBRMEWKGCACEX-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122647;MM122647;NN=c1ccc(=O)n(O)o1;MQZDWQBHJCNLHO-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122648;MM122648;OCC=NOC(CO)=NO;ZAYYPMZNIMKRNF-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122649;MM122649;C#Cc1cnn(C=C)c1O;MFLYDDRFNKHZJK-UHFFFAOYSA-N;134.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122650;MM122650;C#CC#Cc1cc(O)n[nH]1;WTQDHDGHUOHHNA-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122651;MM122651;Nn1nccc1O;KWFJHYQXMJRUTO-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122652;MM122652;Cc1con(C)c1=N;LOQQVBMTLDRZJM-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122653;MM122653;Cn1occ(F)c1=N;FGTFJAHECSKSKS-UHFFFAOYSA-N;116.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122654;MM122654;N=c1c(N)con1N;LJFWLXFIUIDVEV-UHFFFAOYSA-N;114.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122655;MM122655;N=c1c(F)con1N;REGZSAPLLDMCOA-UHFFFAOYSA-N;117.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122656;MM122656;O=CCC1=CNC(=NO)C1;MWSZNPCICXNZEH-UHFFFAOYSA-N;140.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122657;MM122657;C=CN=C1CC(C=C)=NN1;KVYLXIWMJGTFMF-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122658;MM122658;Cc1con(C)c1=O;MVWZPCIKWVNTKS-UHFFFAOYSA-N;113.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122659;MM122659;Cn1occ(N)c1=O;FIHSDHZLTWMJIY-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122660;MM122660;Cn1occ(F)c1=O;BEBLJTOPSGVWTF-UHFFFAOYSA-N;117.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122661;MM122661;Cc1con(N)c1=O;GFEHPACXRMAUIK-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122662;MM122662;Nc1con(N)c1=O;UCJVUHLUYFNCDJ-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122663;MM122663;Nn1occ(F)c1=O;HYJHNIMVURVPMH-UHFFFAOYSA-N;118.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122664;MM122664;C=NNCCC(C#N)=NO;SHWKRWWUUXUVNO-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122665;MM122665;CN=c1c(O)nn(C)n1O;QETJOQJDMDHHAA-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122666;MM122666;NN=c1nc(O)[nH]cc1O;VDGNFEALWCGELZ-UHFFFAOYSA-N;142.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122667;MM122667;Cn1c(O)nc(=NO)n1C;ZYCWCMXVIPDQGG-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122668;MM122668;Cc1non(C)c1=N;ZWPVIZMCHDZSIP-UHFFFAOYSA-N;113.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122669;MM122669;Cn1onc(F)c1=N;SDVVIZPCIGDKDP-UHFFFAOYSA-N;117.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122670;MM122670;Cc1non(N)c1=N;VYFWNKWQCGFLJV-UHFFFAOYSA-N;114.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122671;MM122671;N=c1c(F)non1N;AQIWSIICUJOBQI-UHFFFAOYSA-N;118.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122672;MM122672;Cc1non(O)c1=N;QMLVJMLVVIVWKL-UHFFFAOYSA-N;115.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122673;MM122673;N=c1c(F)non1O;WDJBXQCPICMNKK-UHFFFAOYSA-N;119.06;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122674;MM122674;Cc1non(C)c1=O;JUONJYUNYMUEDH-UHFFFAOYSA-N;114.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122675;MM122675;Cn1onc(F)c1=O;LLZJTQWKCWICGR-UHFFFAOYSA-N;118.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122676;MM122676;Cc1non(N)c1=O;GQCVKKQEADUKDB-UHFFFAOYSA-N;115.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122677;MM122677;Nn1onc(F)c1=O;CWLVXGCTGZHLSC-UHFFFAOYSA-N;119.06;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122678;MM122678;C=C1CC=C(C)C1=C;VQKOEGWWSZLDJP-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122679;MM122679;C=C1CC=C(F)C1=C;GEYPFDPBMVXLGK-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122680;MM122680;C=C1C(=O)CC=C1C;KWHMONLZELQSQF-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122681;MM122681;C=C1CC=C(C)C1=O;JKFZWANBKVULGS-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122682;MM122682;C=C1CC=C(F)C1=O;IDOIFMYUNSVHMT-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122683;MM122683;CC1=CCC(=O)C1=O;CYYLWVJFANIGPP-UHFFFAOYSA-N;110.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122684;MM122684;C=C1C(=N)NC=C1C;MHNKFRFQTXOGCT-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122685;MM122685;C=C1C(=O)NC=C1C;IAPGJABUYTUVNS-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122686;MM122686;C=C1C(=O)NC=C1F;QTLATAAMLSTMLG-UHFFFAOYSA-N;113.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122687;MM122687;CC1=CN=C(N)C1=O;QPQQLFPURIJTPN-UHFFFAOYSA-N;110.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122688;MM122688;N#Cc1cc(NC=N)n[nH]1;WFYWJGNJHAICRZ-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122689;MM122689;CC1=CNC(=O)C1=O;NWSYYVNZFLXZLO-UHFFFAOYSA-N;111.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122690;MM122690;ON=CNCCC#CCF;AAFKYFXASZINKQ-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122691;MM122691;C=C1C(=O)NN=C1C;RBROWLCPMWYQSO-UHFFFAOYSA-N;110.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122692;MM122692;CC1=NNC(=O)C1=O;XDZQGNVQKOKOHF-UHFFFAOYSA-N;112.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122693;MM122693;C=c1occ(C)c1=C;ZXEHMMNNIQHEGB-UHFFFAOYSA-N;108.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122694;MM122694;C=c1occ(F)c1=C;WIOJTGDBMMIGJB-UHFFFAOYSA-N;112.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122695;MM122695;C=C1C(=O)OC=C1C;DNSUHQLZGGTUFW-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122696;MM122696;C=C1C(=O)OC=C1F;MXTQMPPXXKXICH-UHFFFAOYSA-N;114.08;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122697;MM122697;C=C1OC=C(C)C1=O;PBKZYGQTSRUTGF-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122698;MM122698;CC1=COC(=O)C1=O;CXNNFUZAYYCMMA-UHFFFAOYSA-N;112.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122699;MM122699;O=C1OC=C(F)C1=O;KUIHSBGJWUWXBC-UHFFFAOYSA-N;116.05;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122700;MM122700;C=C1C(=O)ON=C1C;RACOSSNTKKYELI-UHFFFAOYSA-N;111.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122701;MM122701;CC1=NOC(=O)C1=O;DBGRQMHRTHKSDX-UHFFFAOYSA-N;113.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122702;MM122702;CC1=CC=C(F)C1C;CQBKBEYZUHZJDG-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122703;MM122703;CC1C(F)=CC=C1F;XMVJVLZEGGHWOP-UHFFFAOYSA-N;116.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122704;MM122704;CC1=CC=C(C)C1N;HUPVMAUNAZKQCS-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122705;MM122705;CC1=CC=C(C)C1O;CDBPTJSJJAFRHH-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122706;MM122706;CC1=CC=C(F)C1O;ILGFPBLYYKSJTL-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122707;MM122707;CC1=NN=C(C)C1O;QTLOCJXQXCBOIY-UHFFFAOYSA-N;112.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122708;MM122708;Cc1ccc(C)n1C;YRABRACUKBOTKB-UHFFFAOYSA-N;109.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122709;MM122709;Cc1ccc(N)n1C;XVTZDYFEQZMINA-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122710;MM122710;Cc1ccc(O)n1C;LUKXCHLFUOYBPN-UHFFFAOYSA-N;111.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122711;MM122711;Cc1ccc(F)n1C;MRSVQQAFDXIOBH-UHFFFAOYSA-N;113.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122712;MM122712;ON=CNCC#CCCF;PKKVIGJTDHYFMY-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122713;MM122713;Cn1c(N)ccc1F;GZQPKKJLYBBCDC-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122714;MM122714;Cn1c(O)ccc1O;SOMWXAGKGJYSQG-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122715;MM122715;Cn1c(O)ccc1F;ZXSHRSCPVFOUCE-UHFFFAOYSA-N;115.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122716;MM122716;Cn1c(F)ccc1F;GPFSGVFZLXQNQU-UHFFFAOYSA-N;117.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122717;MM122717;Cc1ccc(C)n1N;NALRGBZDHLOOTD-UHFFFAOYSA-N;110.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122718;MM122718;Cc1ccc(N)n1N;QGNLVEHPDHQKPG-UHFFFAOYSA-N;111.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122719;MM122719;Cc1ccc(O)n1N;GKSXVBDGNPCSDM-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122720;MM122720;Cc1ccc(F)n1N;RCRHOQCGXFIHQX-UHFFFAOYSA-N;114.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122721;MM122721;Nc1ccc(N)n1N;KRUUURHEDZYKOS-UHFFFAOYSA-N;112.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122722;MM122722;ON=CNC=CCCCF;PSAMRZKMYZAROR-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122723;MM122723;Nc1ccc(F)n1N;GRORJEWSVJGDDJ-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122724;MM122724;Nn1c(O)ccc1O;FKGKZJXITQVDAU-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122725;MM122725;Nn1c(O)ccc1F;FYXZQEJODOGYCV-UHFFFAOYSA-N;116.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122726;MM122726;Nn1c(F)ccc1F;XVIZNUJGOXWKGB-UHFFFAOYSA-N;118.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122727;MM122727;Cc1ccc(C)n1O;BUADAOCRPAMJFP-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122728;MM122728;C=CC(C=NO)=CC;IPXQSAVANZZHJN-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122729;MM122729;Cc1ccc(O)n1O;LDIVAGIQCIBQHY-UHFFFAOYSA-N;113.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122730;MM122730;Cc1ccc(F)n1O;QSYMVZGXTYMQPH-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122731;MM122731;CN=C1CCC(=O)N1;ZUYSNGAVRCSZJZ-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122732;MM122732;Nc1ccc(O)n1O;BNUUJLPCWAUZHE-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122733;MM122733;Oc1ccc(O)n1O;HOLDJZBOPVYISO-UHFFFAOYSA-N;115.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122734;MM122734;Oc1ccc(F)n1O;HHHGTDVOUNKQTK-UHFFFAOYSA-N;117.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122735;MM122735;Cc1cnc(N)n1C;HLEIGKIQLNEZMS-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122736;MM122736;CCc1cn(O)cn1;PZQGOGHMXVYJTK-UHFFFAOYSA-N;112.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122737;MM122737;Cn1c(N)cnc1N;DEHXZUOBUPWKEW-UHFFFAOYSA-N;112.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122738;MM122738;ON=CC=CC1CC1;VYSFKEOBAOZGJI-UHFFFAOYSA-N;111.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122739;MM122739;C#CC1C=NNC1=N;DJFWVXPOGGAFES-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122740;MM122740;Cn1c(O)cnc1O;BAKHRYZXXLRGOL-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122741;MM122741;Cc1ncc(F)n1C;DBRCMCDONVEQQY-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122742;MM122742;Cn1c(F)cnc1O;MHENGEBEYNADAI-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122743;MM122743;Cc1cnc(N)n1N;OIJSUEKALFGEKW-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122744;MM122744;CCN=C(C)NC(N)=O;MXKBWIILKCNUCO-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122745;MM122745;Nc1cnc(N)n1N;SAGQRNGADQPRLE-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122746;MM122746;C=CNC(=O)NC=NC;YIGUZFGHLYTUJQ-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122747;MM122747;CC(=NO)N(C)C=NN;XAJGTCQIMYBZBZ-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122748;MM122748;Nn1c(O)cnc1O;NUMYCPCSQIJKPO-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122749;MM122749;Cc1ncc(F)n1N;NXLAYLATSNDDIV-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122750;MM122750;Nc1ncc(F)n1N;DBQAHMBRHLJPHN-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122751;MM122751;Nn1c(F)cnc1O;BZRXUDASLVFBDD-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122752;MM122752;C=C1CC(=NC)NC1=O;ZQMVRZQQBMFEPN-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122753;MM122753;Cc1cnc(O)n1O;TZEGNQMSGWBYLR-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122754;MM122754;Nc1cnc(O)n1O;AHVAVWHICGRYTD-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122755;MM122755;Cc1ncc(F)n1O;TZORDUXPZQSICP-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122756;MM122756;Cc1nnc(C)n1C;LPZFPHRTKOOKLX-UHFFFAOYSA-N;111.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122757;MM122757;Cc1nnc(N)n1C;VVJZQYADQJXKOC-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122758;MM122758;Cn1c(N)nnc1N;RXGBDDZXKHUCHP-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122759;MM122759;Cn1c(N)nnc1O;QHELAEITSNOMGT-UHFFFAOYSA-N;114.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122760;MM122760;Cc1nnc(C)n1N;MIIKMZAVLKMOFM-UHFFFAOYSA-N;112.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122761;MM122761;CCN=C1CC(C)=NN1;RAEXTAMSDVGLFT-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122762;MM122762;Nc1nnc(N)n1N;JJGGIYYGVKGMQZ-UHFFFAOYSA-N;114.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122763;MM122763;Cc1nnc(C)n1O;QPSOQJFXVRIXDK-UHFFFAOYSA-N;113.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122764;MM122764;Cc1nnc(N)n1O;IXGZILJBNOFEGX-UHFFFAOYSA-N;114.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122765;MM122765;C=c1oc(=C)n(O)c1=O;UVUBZSRPERNCLP-UHFFFAOYSA-N;127.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122766;MM122766;Nc1nnc(N)n1O;COLNCHCBPUCAKC-UHFFFAOYSA-N;115.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122767;MM122767;C=CCc1cc(=O)n(O)o1;IIEJLIJQPUGSNN-UHFFFAOYSA-N;141.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122768;MM122768;C=C1C(C)=CC=C1C;SPZLOIWIPDUGKN-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122769;MM122769;C=C1C(C)=CC=C1F;YAXIFEDUQAVXCS-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122770;MM122770;C=C1C(F)=CC=C1F;SWGHVPIAHWHBSJ-UHFFFAOYSA-N;114.09;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122771;MM122771;CC1=CC=C(C)C1=O;NJFLLFUARIRWJM-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122772;MM122772;CC1=CC=C(F)C1=O;NTOOBCNBHFRURE-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122773;MM122773;O=C1C(F)=CC=C1F;HMGCEMACQUSHNR-UHFFFAOYSA-N;116.07;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122774;MM122774;CC1=CN=C(C)C1=O;TVSWZHIIPZPXON-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122775;MM122775;CC1=NC=C(F)C1=O;ZSRYQVZDCFNYOH-UHFFFAOYSA-N;113.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122776;MM122776;C=C1C(C)=NN=C1C;ZFDZKAJMLSQUMR-UHFFFAOYSA-N;108.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122777;MM122777;CC1=NN=C(C)C1=O;LWJLLHBQDPJXCV-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122778;MM122778;CC1=C(C)C(C)CC1;YNEQKUWRFVQFPF-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122779;MM122779;CC1=C(F)CCC1C;NUHTWHOXSGTXDQ-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122780;MM122780;CC1=C(C)C(N)CC1;JFKLCGWRKNRPJK-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122781;MM122781;CC1=C(F)CCC1N;HJWZDDZMELPBJB-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122782;MM122782;C=CC1=NNC(=N)C1C;KISPUWLORBBJFW-UHFFFAOYSA-N;123.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122783;MM122783;CC1=C(F)CCC1O;SCELWINYYRRQNR-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122784;MM122784;CC1=C(C)C(F)CC1;TYEKHCIXZHUSEN-UHFFFAOYSA-N;114.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122785;MM122785;CC1=C(F)CCC1F;DKSTYCZMDKFRSO-UHFFFAOYSA-N;118.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122786;MM122786;CC1=C(F)C(C)CC1;KUYWSGNLARRKBW-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122787;MM122787;CC1=C(F)C(N)CC1;YUUPVSHARQEQSY-UHFFFAOYSA-N;115.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122788;MM122788;CC1=C(F)C(O)CC1;XFVOOYOPSCRTSQ-UHFFFAOYSA-N;116.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122789;MM122789;CC1=C(C)C(C)CO1;KSDKVBJREBJNBB-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122790;MM122790;CC1=C(C)C(N)CO1;MXHSZVOJEREWBJ-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122791;MM122791;CC1=C(C)C(O)CO1;MEXDAZHEZYKSHD-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122792;MM122792;CC1=C(C)C(F)CO1;XVZZLBDMIBWJSH-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122793;MM122793;CC1=C(F)C(C)CO1;TWKNYVIUPYDXMZ-UHFFFAOYSA-N;116.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122794;MM122794;CC1=C(C)C(C)NC1;OKXXVFUGCMKUML-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122795;MM122795;CC1=C(F)CNC1C;IJAJEPRRXSBXMI-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122796;MM122796;CC1=C(F)C(C)NC1;TXVYGFGIAJOMNF-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122797;MM122797;CC1=C(C)C(C)OC1;IVNPGTIGUOFAHC-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122798;MM122798;CC1=C(F)COC1C;HZAPRYXSJSVBKE-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122799;MM122799;CC1=C(F)C(C)OC1;MBPWSUWVOJPCBJ-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122800;MM122800;C=C1CCC(C)=C1C;CJNLIXDECUWPBW-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122801;MM122801;C=C1CCC(F)=C1C;HLJTXVVSSZLJIQ-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122802;MM122802;CC1=C(C)C(=O)CC1;UZLQSPYGTUMKGS-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122803;MM122803;CC1=C(N)CCC1=O;YWRFESVLUCUXGI-UHFFFAOYSA-N;111.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122804;MM122804;CC1=C(F)CCC1=O;OWSKQCPBMLCPOJ-UHFFFAOYSA-N;114.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122805;MM122805;C=C1CCC(C)=C1F;WZSUBJGPFROFNY-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122806;MM122806;C=C1CCC(F)=C1F;VWXKNJKRGOUOAV-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122807;MM122807;CC1=C(F)C(=O)CC1;ZAUYHEYLQQQAKP-UHFFFAOYSA-N;114.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122808;MM122808;NC1=C(F)C(=O)CC1;DFNWFHBEZKORHK-UHFFFAOYSA-N;115.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122809;MM122809;Cc1[nH]cc(O)c1C;SLWGBOBWSJJHEX-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122810;MM122810;O=CNNC(=NO)NO;UUWFWFMEYCVRGL-UHFFFAOYSA-N;134.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122811;MM122811;Nc1[nH]cc(O)c1F;UYHKTZKIFSAWSP-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122812;MM122812;C=C1COC(C)=C1C;YCAWZMPHJJXUBD-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122813;MM122813;C=C1COC(C)=C1F;INANFOYLISMOKV-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122814;MM122814;CCc1cc(=O)n(O)o1;KEWLUNUFWUXUBE-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122815;MM122815;C=Cc1n[nH]c(=O)n1O;VABCEUQKHSEBPL-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122816;MM122816;CC1=C(C)C(=N)NC1;WBAYIEGWDPEQHL-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122817;MM122817;CC1=C(N)CNC1=N;XLBMVAJNQAMDFU-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122818;MM122818;CC1=C(F)CNC1=N;JHFMGPCSBMNNPC-UHFFFAOYSA-N;114.12;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122819;MM122819;CC1=C(C)C(=O)NC1;AYGIBSZRMXDJEG-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122820;MM122820;CC1=C(N)CNC1=O;JBYRLRFPTBIVTI-UHFFFAOYSA-N;112.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122821;MM122821;CC1=C(F)CNC1=O;FZUREGAVPVMHHL-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122822;MM122822;CC1=C(F)C(=O)NC1;CWHJVSLZVFXKRF-UHFFFAOYSA-N;115.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122823;MM122823;NC1=C(F)C(=O)NC1;HEUGHDNPGKXRSP-UHFFFAOYSA-N;116.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122824;MM122824;C#CC1=NNC(=NC)C1;QBCGUGFRTYXJAL-UHFFFAOYSA-N;121.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122825;MM122825;CC(C)(F)CC(=O)NC=N;URNHWFVIHYGKHX-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122826;MM122826;CN=c1on(O)c(=O)n1C;WTRDYPGKNSOGEB-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122827;MM122827;CC(=NCCO)NC(N)=O;LPCCORABTYXISN-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122828;MM122828;On1nc(F)c(F)c1F;PGSCYHGCYDBRJZ-UHFFFAOYSA-N;138.05;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122829;MM122829;Cc1c(N)[nH][nH]c1=O;AOFZJKLTSJMFCO-UHFFFAOYSA-N;113.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122830;MM122830;CCc1nc(=O)c(C)n[nH]1;WYQDPHHSENOGCT-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122831;MM122831;OCc1cc(O)c(F)o1;RDNCJOGJFFBZBA-UHFFFAOYSA-N;132.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122832;MM122832;C=CCC(=O)NC(C)=NC;RUJDDCLGMRBODH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122833;MM122833;N=CNC(=O)C=C(F)CO;OMPPDJZZQZAVLU-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122834;MM122834;C=CCC(=NO)C(=O)C#N;IMDOUYVHZRNCMI-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122835;MM122835;C=CCC(=NC)NC(C)=O;LNKDOVBBVAAHSQ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122836;MM122836;O=CC1=CC(=O)NC1;OBPVAXLFTJBOSB-UHFFFAOYSA-N;111.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122837;MM122837;Nc1[nH][nH]c(=O)c1N;MUYIVZJCWVZYHR-UHFFFAOYSA-N;114.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122838;MM122838;CNc1noc(=O)[nH]1;YPWMROFEJVGRLM-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122839;MM122839;COCC(=NO)C(C)O;OWAQPNQJTYLBDV-UHFFFAOYSA-N;133.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122840;MM122840;COc1nc(=NO)o[nH]1;WDVFRYLRGJTYNY-UHFFFAOYSA-N;131.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122841;MM122841;C=Cn1ccc(O)n1;YXQAYETTYDCRFL-UHFFFAOYSA-N;110.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122842;MM122842;CC=Cn1ccc(O)n1;YNCLACSIYFTIML-UHFFFAOYSA-N;124.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122843;MM122843;C=Cn1ncc(O)c1C;GFEZFMBZHVHOIZ-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122844;MM122844;C=Cn1ncc(CO)c1O;GIZYMHMYCQLGHY-UHFFFAOYSA-N;140.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122845;MM122845;NC(=O)NN=CN=CNO;QPZUUUWCTWUSRN-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122846;MM122846;CC1NC1(C)C(=O)NC=N;QMNKJLWGMDDJGW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122847;MM122847;Nc1c(F)c(O)c(F)n1N;SSXSFBXVRQJIFI-UHFFFAOYSA-N;149.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122848;MM122848;Nc1n[nH]c(F)c1F;RKKJLBCTCUAPRY-UHFFFAOYSA-N;119.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122849;MM122849;C=CCc1cc(O)n(C)n1;LLKWIMSVRRMXKW-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122850;MM122850;Cc1nn(O)c(N)c1O;BQYRFZJIRRZBIW-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122851;MM122851;Cn1c(N)nc(=O)n1O;QZFKSIRVKVAYQW-UHFFFAOYSA-N;130.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122852;MM122852;CNc1nc(=O)n(O)n1C;PPRJDORKYSGJHB-UHFFFAOYSA-N;144.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122853;MM122853;N=CN=C(CCO)NC=O;JHFAXLFBQDZTNC-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122854;MM122854;C#CC(C#N)C1NC1(C)C;XOQFZLNHMUSOER-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122855;MM122855;Cc1[nH]c(=N)oc(=O)c1F;ULABOQAFKPWERS-UHFFFAOYSA-N;144.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122856;MM122856;C=CC1(C)CC(=NO)NN1;IFGIQDYJFOTIPI-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122857;MM122857;O=c1[nH]c2c[nH][nH]c-2c1F;WMQURRXWKGPFQT-UHFFFAOYSA-N;141.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122858;MM122858;Cn1cc(F)n(O)c1=O;NMUKKJPCEWXZOD-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122859;MM122859;Cc1[nH]c(=O)n(O)c1F;WGGDYLSYVTVMPS-UHFFFAOYSA-N;132.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122860;MM122860;Cn1c(=O)cnc(=O)n1O;PZMNEGKLJIZDFV-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122861;MM122861;C=CC(=NO)NC(=N)CF;RNUBTUAXBKWGHI-UHFFFAOYSA-N;145.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122862;MM122862;CC=CNC(=O)NC=NC;FHPBURNPWOLSLD-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122863;MM122863;Nc1c(F)cnc(=O)n1O;ZPMDSQADRXVVLY-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122864;MM122864;C#CCNC(C=NO)=NC;QYAAYMMZPQFTPK-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122865;MM122865;Cn1c(=NN)on(O)c1=O;AFFSALDYELGTTG-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122866;MM122866;C#Cc1nc(=O)n(O)n1C;XOKZSCWPHBZWBS-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122867;MM122867;C#Cc1oc(=O)n(O)c1N;WWKDVNGLNCYWAW-UHFFFAOYSA-N;140.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122868;MM122868;C=c1oc(=CC)c(=O)n1O;IHNRCQUSTRZRIJ-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122869;MM122869;N#CCc1cc(=O)n(O)o1;YOIVFPULVWWCAC-UHFFFAOYSA-N;140.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122870;MM122870;C#CCc1cc(=O)n(O)o1;FWFSSDCHWSWWSY-UHFFFAOYSA-N;139.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122871;MM122871;C=Cc1con(O)c1=O;PDBBQUPIXGCVJT-UHFFFAOYSA-N;127.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122872;MM122872;CCc1con(O)c1=O;RMYZVYXYNCQRPZ-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122873;MM122873;Cc1con(O)c1=O;WPGVUNURAAGAAN-UHFFFAOYSA-N;115.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122874;MM122874;C#CC1(C#C)CC(=O)NO1;JLVMDDQWAASPBM-UHFFFAOYSA-N;135.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122875;MM122875;CCN(C=NO)C=NNC;WPZYILCYHODDKO-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122876;MM122876;CN(N)C(CCCO)=NO;QHJKUQJYIPJWBU-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122877;MM122877;C#CCC(=O)NOCC;IDAZPXIFQOTVKI-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122878;MM122878;Nc1noc(F)c1F;KZFYEXMGVYSRAZ-UHFFFAOYSA-N;120.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122879;MM122879;C#CCC(=O)NOCCC;GKNDEIIPGCXZOV-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122880;MM122880;CC(=O)C(=O)C(O)C=O;UFXCMYYHMGNRSQ-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122881;MM122881;CCOC(=NO)C(=O)C#N;WOPFEDLYIHAZLU-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122882;MM122882;C=Cc1nc(O)c(O)o1;FHKQTXLCRSMXSF-UHFFFAOYSA-N;127.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122883;MM122883;C=C1OCC(C)=C1C;BPWVRVAPPPNHRU-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122884;MM122884;C=C1OCC(F)=C1C;LSHJRTCXIIEWIG-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122885;MM122885;CC1=C(C)C(=O)OC1;QHQDWCHELGHSTO-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122886;MM122886;CC1=C(N)COC1=O;QJDKEKAREQSWGS-UHFFFAOYSA-N;113.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122887;MM122887;CC1=C(F)COC1=O;WJYSVIWZUVPUNO-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122888;MM122888;C=C1OCC(C)=C1F;XANXGZKMJYAVHU-UHFFFAOYSA-N;114.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122889;MM122889;CC1=C(F)C(=O)OC1;MBHHEWJYYGOKAX-UHFFFAOYSA-N;116.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122890;MM122890;Cc1[nH]oc(=O)c1C;WKQGJZHWFBLONX-UHFFFAOYSA-N;113.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122891;MM122891;Cc1c(N)[nH]oc1=O;KEOYJOYWQYABDZ-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122892;MM122892;CNC(=O)NC(C=O)C=O;CKTLHNCVGDUVQY-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122893;MM122893;Cc1[nH]oc(=O)c1N;GYCDQBFGNDOWTP-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122894;MM122894;Nc1[nH]oc(=O)c1N;FAZHEAYMIZUYIB-UHFFFAOYSA-N;115.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122895;MM122895;C#Cc1coc(O)c1F;BGMJQNPDEBEFCH-UHFFFAOYSA-N;126.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122896;MM122896;Nc1[nH]oc(=O)c1O;KAIBBSZYRCKTOY-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122897;MM122897;Nc1con(O)c1=O;PVNZHTMCQHJJSG-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122898;MM122898;CNc1con(O)c1=O;JCGJJUKVIVYSAX-UHFFFAOYSA-N;130.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122899;MM122899;Cc1cc(=O)n(O)cn1;RRTDHJGCJNIXDX-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122900;MM122900;Nc1[nH]oc(=O)c1F;ZDOBJANTLJNTHO-UHFFFAOYSA-N;118.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122901;MM122901;OCC(CO)=NO;SESFQRDUAZRWAW-UHFFFAOYSA-N;105.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122902;MM122902;ON=CC(O)C#CC=CF;SFAZZIZPZBGGSE-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122903;MM122903;CC1=C(C)C(C)C=C1;CHKCWAPUDPBEQG-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122904;MM122904;CC1=C(F)C=CC1C;XJQYEEYQFPPOQW-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122905;MM122905;CC1=C(C)C(N)C=C1;OUMXPSPCYSNLFJ-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122906;MM122906;CC1=C(F)C=CC1N;VBONEDCPZCNPRR-UHFFFAOYSA-N;113.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122907;MM122907;CC1=C(C)C(O)C=C1;DTJADTGVBUVROX-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122908;MM122908;CC1=C(F)C=CC1O;ZAIDTYMOTZKSMC-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122909;MM122909;CC1=C(C)C(F)C=C1;IELPMRKRPXOMDT-UHFFFAOYSA-N;112.15;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122910;MM122910;CC1=C(F)C=CC1F;SDLHMTIPNQSORJ-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122911;MM122911;CC1=C(F)C(C)C=C1;QFYZYNNPUFNOPB-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122912;MM122912;CC1=C(F)C(O)C=C1;MEYKJTJJCPQAJV-UHFFFAOYSA-N;114.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122913;MM122913;CC1=C(F)C(F)C=C1;DKQSWRHISFOYDY-UHFFFAOYSA-N;116.11;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122914;MM122914;Cc1ccn(C)c1C;FBMMEVLVANKLNB-UHFFFAOYSA-N;109.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122915;MM122915;Cc1c(N)ccn1C;RHGQOSKGAUBSML-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122916;MM122916;Cc1c(F)ccn1C;YSBXCHMPOBQBEK-UHFFFAOYSA-N;113.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122917;MM122917;Cc1ccn(N)c1C;TXZLDHILXFAHJA-UHFFFAOYSA-N;110.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122918;MM122918;Cc1c(N)ccn1N;ZLISEHLEQIUOMT-UHFFFAOYSA-N;111.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122919;MM122919;Cc1c(F)ccn1N;RBKPMFKKDRWWOA-UHFFFAOYSA-N;114.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122920;MM122920;Cc1ccn(O)c1C;PIKBIVWQSDWSMV-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122921;MM122921;C#CC(C=C)=CNC=NO;QMHHTVKHPUHBHL-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122922;MM122922;Cc1c(F)ccn1O;GQNIAYPCWHXLRD-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122923;MM122923;Cc1ccn(C)c1N;QXDJNUDECSVZAE-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122924;MM122924;Cn1ccc(O)c1N;KMVNWTIGIGIIHM-UHFFFAOYSA-N;112.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122925;MM122925;Cn1ccc(F)c1N;IBNOCYXUKCMVJD-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122926;MM122926;Cc1ccn(N)c1N;GXPJJYLBADMVFE-UHFFFAOYSA-N;111.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122927;MM122927;Nc1c(O)ccn1N;USBOXUSQQRAOSP-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122928;MM122928;Nc1c(F)ccn1N;YQUMJHCGMDUQFY-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122929;MM122929;CCC1(C(=O)NC=N)CN1;XBOVTLALKQXKCJ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122930;MM122930;C#CC1=NNC(=NCC)C1;CPSGIIRBMAKMBM-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122931;MM122931;Nc1c(O)ccn1O;PUZGNPNFVUUGJZ-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122932;MM122932;Nc1c(F)ccn1O;HPDSQUYNGXPEBD-UHFFFAOYSA-N;116.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122933;MM122933;Cc1ccn(C)c1O;QYZYMVOJBMZRTO-UHFFFAOYSA-N;111.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122934;MM122934;Cn1ccc(N)c1O;ZZTVSTZVLJPSPP-UHFFFAOYSA-N;112.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122935;MM122935;Cn1ccc(O)c1O;CLXFVMAZFZPKFE-UHFFFAOYSA-N;113.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122936;MM122936;Cn1ccc(F)c1O;BHWCFDDPYLFQBS-UHFFFAOYSA-N;115.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122937;MM122937;Cc1ccn(N)c1O;LCBQLBOYPOLKRY-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122938;MM122938;CC=CC1=NNC(=NC)C1;SYEHWCSVVMMPIW-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122939;MM122939;Nn1ccc(F)c1O;KCPHJNIZONQWJY-UHFFFAOYSA-N;116.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122940;MM122940;Cc1ccn(O)c1O;ITHHNQFVIZXPJQ-UHFFFAOYSA-N;113.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122941;MM122941;Nc1ccn(O)c1O;WTNDUIARHAVFFQ-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122942;MM122942;Oc1c(F)ccn1O;BSDJTDKQJXSATP-UHFFFAOYSA-N;117.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122943;MM122943;Cc1ccn(C)c1F;IGJOVNDMPBVTSW-UHFFFAOYSA-N;113.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122944;MM122944;Cn1ccc(N)c1F;UOAUTJZORZFYQH-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122945;MM122945;Cn1ccc(F)c1F;LSOZVNJTELCQGU-UHFFFAOYSA-N;117.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122946;MM122946;Cc1ccn(N)c1F;QLEYSGTULOXTRJ-UHFFFAOYSA-N;114.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122947;MM122947;Nc1ccn(N)c1F;YWEMBDGGCSZYKF-UHFFFAOYSA-N;115.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122948;MM122948;Nn1ccc(F)c1F;RRSQOVZSTZDSFL-UHFFFAOYSA-N;118.09;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122949;MM122949;Cc1ccn(O)c1F;XKHVVILSWGGFSX-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122950;MM122950;Nc1ccn(O)c1F;HKUBBYLNDHLTBE-UHFFFAOYSA-N;116.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122951;MM122951;On1ccc(F)c1F;QUQWEBQFPPZQFZ-UHFFFAOYSA-N;119.07;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122952;MM122952;Cc1c(O)ncn1C;DGGRWCXYCLZGSP-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122953;MM122953;Cc1c(F)ncn1C;NGVUZMXCYYIURA-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122954;MM122954;Cc1ncn(N)c1C;QJTLRMOBDLUGLP-UHFFFAOYSA-N;111.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122955;MM122955;Cc1c(O)ncn1N;KYRSUDDJLBPYAM-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122956;MM122956;Cc1c(F)ncn1N;QJIRSGDQNCSEMX-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122957;MM122957;CCC12CC1CC(=NO)N2;ITZQEZGMUZQKGD-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122958;MM122958;CCC12CC(C1)C(=NO)N2;ZDWGCNQKSYYMKQ-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122959;MM122959;Cc1c(O)ncn1O;GHVHSVKAZVWIQJ-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122960;MM122960;Cc1c(F)ncn1O;MVFFGZGVZPZKPR-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122961;MM122961;C#CC1=NN=C(NN)C1C;FPBPDBYQLCOAHT-UHFFFAOYSA-N;136.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122962;MM122962;Cn1cnc(F)c1N;VZMCOEDYVJVORE-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122963;MM122963;Nc1c(O)ncn1N;MOWQNUUTGUPUGE-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122964;MM122964;Nc1c(F)ncn1N;FJJAMHDVIXUEOX-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122965;MM122965;OCC1C=CC(=NO)CC1;WTFXSRKVCHLBGF-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122966;MM122966;NN=C1CC=NN1;UZZIZCCTUCBDHQ-UHFFFAOYSA-N;98.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122967;MM122967;Nc1c(O)ncn1O;LOAWJNMIMLEZER-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122968;MM122968;Nc1c(F)ncn1O;KSDXBNZYMSEFAF-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122969;MM122969;CN=C(C)NC(N)=O;JCKVDWKMQSUFAD-UHFFFAOYSA-N;115.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122970;MM122970;N=C(CCF)NC=O;PAIJVCDTAYVTMN-UHFFFAOYSA-N;118.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122971;MM122971;Cn1cnc(O)c1O;BDCXQZVBBZDAEZ-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122972;MM122972;Cn1cnc(F)c1O;ZAICVOHODBYBDH-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122973;MM122973;C=C(C)C(=C)C=NO;MZACZNNTRITHQX-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122974;MM122974;C=CC1=NNC(=N)C1;XMUVNKUGLLVJCY-UHFFFAOYSA-N;109.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122975;MM122975;Nn1cnc(O)c1O;PENCVEOGQZVLLC-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122976;MM122976;Cc1ncn(O)c1O;BSNAQORXYDKTEM-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122977;MM122977;Nc1ncn(O)c1O;IEBVCOZNDVKTBP-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122978;MM122978;Oc1ncn(O)c1O;SMEKOWQTYCTQHV-UHFFFAOYSA-N;116.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122979;MM122979;Cc1ncn(C)c1F;NHDGRDMKSACPRX-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122980;MM122980;CC(CC(C)(C)C)=NO;IWDLVICCHFPHJQ-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122981;MM122981;Cn1cnc(O)c1F;WJCMSWJFXDGTKD-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122982;MM122982;Cn1cnc(F)c1F;JGWLHBGGHNSDIM-UHFFFAOYSA-N;118.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122983;MM122983;Cc1ncn(N)c1F;DCUDGVYTKTXSEG-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122984;MM122984;CC(F)CC(=N)NC=O;RLZCJPGRVIWFIT-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122985;MM122985;Nn1cnc(F)c1F;LAZPATSIZBIDAX-UHFFFAOYSA-N;119.07;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122986;MM122986;Cc1ncn(O)c1F;ISYZOAZVTHSIMT-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122987;MM122987;Nc1ncn(O)c1F;QOVRHSPJAWFNGW-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122988;MM122988;Cc1cnn(C)c1C;SUHBKHNLQCODJL-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122989;MM122989;Cc1c(N)cnn1C;JKSYHPUINDBWRF-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122990;MM122990;Cc1c(F)cnn1C;RMNCPLDBDUKYJP-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122991;MM122991;Cc1cnn(N)c1C;RMTCEXYAYQPKJG-UHFFFAOYSA-N;111.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122992;MM122992;Cc1c(N)cnn1N;NKHDJCQMFYXKPP-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122993;MM122993;C=COCC(CO)=NO;NLFKYTHQLWUDBL-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122994;MM122994;Cc1c(F)cnn1N;VDYAQIKLSQIVAX-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122995;MM122995;Cc1cnn(O)c1C;VDTQZSSDLBJWBA-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122996;MM122996;Cc1c(N)cnn1O;DOVIPXSOZCHYSK-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122997;MM122997;CCc1cnn(O)c1O;BZSWXGVRDYOECO-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122998;MM122998;Cc1c(F)cnn1O;UYAVIMSZBGLTIA-UHFFFAOYSA-N;116.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM122999;MM122999;Cc1cnn(C)c1N;AHTVCDZZGBELIK-UHFFFAOYSA-N;111.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123000;MM123000;Cn1ncc(N)c1N;XOAXOKSJNVLLHZ-UHFFFAOYSA-N;112.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123001;MM123001;Cn1ncc(F)c1N;XJXZTEUTIVMOGB-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123002;MM123002;Cc1cnn(N)c1N;OBFZXUBPTQFVAR-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123003;MM123003;Nc1cnn(N)c1N;LACMISSBHQXWTE-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123004;MM123004;Nc1c(F)cnn1N;SXVFHZFNVCZKJW-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123005;MM123005;Cc1cnn(O)c1N;FZCPTXZYMCTFGZ-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123006;MM123006;Nc1cnn(O)c1N;WJFHWNVVGZJGKY-UHFFFAOYSA-N;114.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123007;MM123007;Nn1nc(O)c(=O)oc1=O;UWUPDOIGZJNLER-UHFFFAOYSA-N;145.07;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123008;MM123008;Cn1ncc(N)c1O;UAYPWSAWXOHQJK-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123009;MM123009;C=Cc1onnc(=N)c1O;KLLLRCKDGSNDRC-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123010;MM123010;Nc1cnn(N)c1O;HFRWEUFOXJLLTB-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123011;MM123011;N=c1oc(=O)[nH]c(=O)n1N;IMNYUOIHMAWVHM-UHFFFAOYSA-N;144.09;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123012;MM123012;Nc1n[nH]c(=O)c(O)c1O;BMIZWJCAHRWJMD-UHFFFAOYSA-N;143.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123013;MM123013;O=c1occ2nc[nH]nc1-2;ZISGTLVIFJQECH-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123014;MM123014;NN=c1[nH]cnc(=NO)o1;SZKOFHJJSMEOCZ-UHFFFAOYSA-N;143.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123015;MM123015;N#CC(=NO)C(=CN)CF;WCEZSFLGYOBQJC-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123016;MM123016;Cc1cnn(C)c1F;LJJPQBGWHBLJBC-UHFFFAOYSA-N;114.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123017;MM123017;Cn1ncc(N)c1F;SMPISPATBKPAIE-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123018;MM123018;Cn1nc(O)n(N)c1=NO;CJJMGYUNCRBNDY-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123019;MM123019;Cn1ncc(F)c1F;NXKVVQNKWJQNFB-UHFFFAOYSA-N;118.09;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123020;MM123020;Cc1cnn(N)c1F;RFPQOWNVMCTRKS-UHFFFAOYSA-N;115.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123021;MM123021;CC(F)CC(=O)NC=N;NBRDFHAXNLQJFW-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123022;MM123022;CN=c1oc(=O)n(O)n1C;TXDICXVKXGHVHR-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123023;MM123023;Nn1ncc(F)c1F;XDWKKWYNUYRJGV-UHFFFAOYSA-N;119.07;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123024;MM123024;CCc1[nH]c(=O)n(O)c1F;FRQCWACLAHSONY-UHFFFAOYSA-N;146.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123025;MM123025;O=c1ccc(=NO)on1O;ZOPXHIJCDBYTJN-UHFFFAOYSA-N;144.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123026;MM123026;Cc1nnn(C)c1C;QMPIAFREABRPEC-UHFFFAOYSA-N;111.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123027;MM123027;CCNC(=O)NC(C)=N;LFFSQGNCUILDSH-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123028;MM123028;Cc1on(O)c(=O)c1C;IEPKMBLJGSYWPU-UHFFFAOYSA-N;129.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123029;MM123029;Cc1c(F)nnn1C;ZWJGWIKKYOPOHC-UHFFFAOYSA-N;115.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123030;MM123030;Cc1nnn(N)c1C;LVETYZWBIIYQRR-UHFFFAOYSA-N;112.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123031;MM123031;CC(F)=CC(=O)NC=N;GJDLOEAPJWDAET-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123032;MM123032;C=Cc1cc(=O)n(O)o1;JIZHOZUXKRIVPM-UHFFFAOYSA-N;127.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123033;MM123033;Cc1c(F)nnn1N;FCQUCXFDFPFQKP-UHFFFAOYSA-N;116.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123034;MM123034;Cc1c(N)nnn1O;YLYKLBLJLMRTKJ-UHFFFAOYSA-N;114.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123035;MM123035;CC=Cc1cc(=O)n(O)o1;MXJBNLMADIROCC-UHFFFAOYSA-N;141.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123036;MM123036;Cc1nnn(C)c1N;WRFLDNDZJWAMOE-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123037;MM123037;CCNNC(=O)NC=O;WGADSUQXELHUTK-UHFFFAOYSA-N;131.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123038;MM123038;C#CC12CC1C(=O)NO2;YVGAKFKPCWVXHY-UHFFFAOYSA-N;123.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123039;MM123039;Cn1nnc(F)c1N;VZBDFKNGBLWWGB-UHFFFAOYSA-N;116.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123040;MM123040;Cc1nnn(N)c1N;PMOOSEYKKHTAEP-UHFFFAOYSA-N;113.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123041;MM123041;C=CC=CN(N)C=NO;VGLVFRUUPIBQJZ-UHFFFAOYSA-N;127.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123042;MM123042;CC#CC12CC1C(=O)NO2;NHJGIPBKZGXIMZ-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123043;MM123043;C=CN=CNC(=O)NC;DIPJBXSAMFCKDO-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123044;MM123044;Nc1nnn(O)c1N;QVXJAPIWRZGZDC-UHFFFAOYSA-N;115.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123045;MM123045;O=c1cc(CO)on1O;WYZJCNFKROBHSX-UHFFFAOYSA-N;131.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123046;MM123046;Oc1cc(CF)oc1F;FJOXCTFZHYWHNL-UHFFFAOYSA-N;134.08;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123047;MM123047;OCc1coc(O)c1F;SJXDVSAJZNFRJK-UHFFFAOYSA-N;132.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123048;MM123048;C=Cc1cnc(=O)n(O)c1;WLCKUWUXWRNOMI-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123049;MM123049;Cc1cc(C)n(O)c(=O)n1;AHYJQSURSGRPSR-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123050;MM123050;C=Cc1occ(F)c1O;JSQUUEOWYHTWLU-UHFFFAOYSA-N;128.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123051;MM123051;Cc1on(O)c(=O)c1N;QJQUUCWVQDSMRB-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123052;MM123052;N#CC(CCC(N)=O)=NO;GORIOCJCRBHBID-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123053;MM123053;C#CC(C)OC(CF)=NO;WLKNJFZMTHMYSA-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123054;MM123054;Nc1ncnc(=O)c(=O)[nH]1;QHDBWPZMVYGBJI-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123055;MM123055;N#CCC#CC(O)C=NO;HZXAQDIHVZPIDF-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123056;MM123056;Cc1nnn(C)c1F;UZZHOPLDXXGJOG-UHFFFAOYSA-N;115.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123057;MM123057;Cn1nnc(N)c1F;NUWIVCNGASYJJJ-UHFFFAOYSA-N;116.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123058;MM123058;COC(=O)C(O)C=NO;HIRXNAJZOVIGIM-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123059;MM123059;Cn1nnc(F)c1F;BCZBPKDFQPYUIA-UHFFFAOYSA-N;119.07;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123060;MM123060;Cc1nnn(N)c1F;UUVVVIQGYQXUBO-UHFFFAOYSA-N;116.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123061;MM123061;NC(CF)C(=O)NC=O;FPLHZJSKNDYINV-UHFFFAOYSA-N;134.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123062;MM123062;CNC(C#N)C(=NO)OC;IKNHRYIMDFKHET-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123063;MM123063;Nn1nnc(F)c1F;PKZJMAINFXUSCV-UHFFFAOYSA-N;120.06;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123064;MM123064;Cc1c(F)[nH]oc1=NN;QOLLGULFZUHXMR-UHFFFAOYSA-N;131.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123065;MM123065;Nc1nc(=O)n(O)n1N;OUNQJJCSHATGPO-UHFFFAOYSA-N;131.1;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123066;MM123066;CNc1nc(=O)n(O)n1N;SZDDRWBVPPOEJF-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123067;MM123067;C=C1C=CC(C)=C1C;JQJJVBLKRXSWNS-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123068;MM123068;C=C1C=CC(F)=C1C;FTQMTDMYSAFFTA-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123069;MM123069;CC1=C(C)C(=O)C=C1;RKCHNAXAUIOPKE-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123070;MM123070;CC1=C(N)C=CC1=O;JUQLVINNOUSFKS-UHFFFAOYSA-N;109.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123071;MM123071;CC1=C(F)C=CC1=O;BFCPDUCMZFNNAO-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123072;MM123072;C=C1C=CC(C)=C1F;YWSFNKCVIOKSME-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123073;MM123073;C=C1C=CC(F)=C1F;HMMXXYXAVJZXMN-UHFFFAOYSA-N;114.09;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123074;MM123074;CC1=C(F)C(=O)C=C1;AKHIBJSYBLUFGD-UHFFFAOYSA-N;112.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123075;MM123075;NC1=C(F)C(=O)C=C1;SDIQEBKGAOHFRY-UHFFFAOYSA-N;113.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123076;MM123076;CC1=C(C)C(=O)C=N1;LBEFACFJEPJVRN-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123077;MM123077;C=C(CF)C(=O)NC=N;XAYXPJGZXMYOQB-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123078;MM123078;CC1=C(F)C(=O)C=N1;ITHXRRMONFTVQB-UHFFFAOYSA-N;113.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123079;MM123079;CCC(C)=C(C)C=NO;WJBKPZXMFLHPQQ-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123080;MM123080;CC1=C(C)C(=N)N=C1;VPUGRUYSJSSVAN-UHFFFAOYSA-N;108.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123081;MM123081;CC1=C(N)C=NC1=N;LDFBGPMHJIWUJV-UHFFFAOYSA-N;109.13;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123082;MM123082;CC1=C(F)C=NC1=N;MLGGMKUFEPFFMH-UHFFFAOYSA-N;112.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123083;MM123083;CC1=C(C)C(=O)N=C1;MPRWCRODSFUTBE-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123084;MM123084;C=C1C(=O)NC(=N)C1C;AIRJVYPRVAPCDZ-UHFFFAOYSA-N;124.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123085;MM123085;CC1=C(F)C=NC1=O;HVBACXQWPAVQQH-UHFFFAOYSA-N;113.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123086;MM123086;CC1=NN(C)C(=N)C1C;JBDCOFRSQSANJY-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123087;MM123087;N=C1C(=O)NC=C1F;ORTJXNDYQHLGBJ-UHFFFAOYSA-N;114.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123088;MM123088;CC1=C(F)C(=N)N=C1;GAQVOTFYRHXUGV-UHFFFAOYSA-N;112.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123089;MM123089;C=CC1=NN(C)C(=N)C1;CJBHJPMDKJWJLC-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123090;MM123090;CC1=C(F)C(=O)N=C1;QYQTUTYLYLZPSQ-UHFFFAOYSA-N;113.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123091;MM123091;NC1=C(F)C(=O)N=C1;RBBWCHQYOJBIQH-UHFFFAOYSA-N;114.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123092;MM123092;CC1=CCC(C)=C1C;WFZFDWAAGYEXOS-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123093;MM123093;CC1=CCC(F)=C1C;OHWZNWIVGBLZJC-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123094;MM123094;CC1=C(C)C(F)=CC1;MDALJXRINNIZJQ-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123095;MM123095;CC1=C(F)CC=C1F;APRGVCSHZUWAAZ-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123096;MM123096;CC1=CCC(C)=C1F;SXYCKKOLZIFLJL-UHFFFAOYSA-N;112.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123097;MM123097;CC1=C(F)C(F)=CC1;FUWUCXKMBVVRBJ-UHFFFAOYSA-N;116.11;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123098;MM123098;Cc1c[nH]c(C)c1C;WTMJHBZSSSDBFQ-UHFFFAOYSA-N;109.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123099;MM123099;C#CC1=NNC(=N)C1C;BROCTILRFBRBNC-UHFFFAOYSA-N;121.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123100;MM123100;Cc1c[nH]c(O)c1C;HSWTUQOADKTPMF-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123101;MM123101;Cc1c[nH]c(F)c1C;GBYQPLWBVHBGJC-UHFFFAOYSA-N;113.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123102;MM123102;O=CCC=CNC=NO;WSBYOFVWMBGREH-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123103;MM123103;CC(C)(F)CC(=N)NC=O;OBKGCWMIUZTYTO-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123104;MM123104;Cc1c(N)c[nH]c1O;BDHVXXAZJPLTLE-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123105;MM123105;CCCNC(=O)NC(C)=N;NNVASRHHCSXFQH-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123106;MM123106;Cc1c(O)c[nH]c1O;AACIDTMCKGMVSR-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123107;MM123107;Cc1[nH]cc(F)c1C;GJTPTLWYFKRFOP-UHFFFAOYSA-N;113.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123108;MM123108;C=CCNC(=O)NC(C)=N;PFHFFMNOHMLDDG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123109;MM123109;Cc1c(F)c[nH]c1O;DTHCPAATYKITDN-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123110;MM123110;Cc1c(F)c[nH]c1F;XXGNEXHVZYLPOV-UHFFFAOYSA-N;117.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123111;MM123111;CCC(F)CC(=N)NC=O;IWPBBEAOPSXONJ-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123112;MM123112;Cc1c[nH]c(O)c1N;ZXXFPHOCCCVKJK-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123113;MM123113;Cc1c[nH]c(F)c1N;DGGJDWRITNGKIE-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123114;MM123114;C=C(C=O)NC(=O)NC=N;YBGYRGYYSHTRQT-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123115;MM123115;Nc1c[nH]c(O)c1N;SBSAXKSULLZIMN-UHFFFAOYSA-N;113.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123116;MM123116;Nc1c[nH]c(F)c1N;ZNYFQURFRFLZML-UHFFFAOYSA-N;115.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123117;MM123117;Cc1[nH]cc(O)c1N;PQUUELNRJYJYOV-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123118;MM123118;Nc1c(O)c[nH]c1O;LRNBMGFDQUTWKT-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123119;MM123119;Cc1[nH]cc(F)c1N;LMEBYCLFWIVASW-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123120;MM123120;Nc1c(F)c[nH]c1O;ZZIWXVDAHOQCLG-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123121;MM123121;Nc1c(F)c[nH]c1F;AHSUDQKXPKMZMK-UHFFFAOYSA-N;118.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123122;MM123122;Cc1c[nH]c(N)c1O;WWKICKOWAUJHSN-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123123;MM123123;Cc1c[nH]c(O)c1O;RNPUIMJGKHUXFF-UHFFFAOYSA-N;113.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123124;MM123124;Cc1[nH]cc(N)c1O;LUHMSURFOIHJBE-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123125;MM123125;Nc1c[nH]c(N)c1O;VOCDDRHKSZOQGT-UHFFFAOYSA-N;113.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123126;MM123126;Nc1c[nH]c(O)c1O;KIFFYNSIRUBSNJ-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123127;MM123127;Nc1[nH]cc(O)c1O;SWVGCPIKZLSDBO-UHFFFAOYSA-N;114.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123128;MM123128;Nc1[nH]cc(F)c1O;FSFVYYUFNYFAFZ-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123129;MM123129;Cc1c[nH]c(C)c1F;ATBDQLADJSGXTM-UHFFFAOYSA-N;113.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123130;MM123130;C#CC(=C)NC(=O)NC=N;GUTWKKQYYYQPGE-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123131;MM123131;Cc1c[nH]c(O)c1F;IDOATDJZGOTQNF-UHFFFAOYSA-N;115.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123132;MM123132;Cc1c[nH]c(F)c1F;ZCYFYJRVLOTCNG-UHFFFAOYSA-N;117.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123133;MM123133;Cc1[nH]cc(N)c1F;XVRZQRMFYYUXDO-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123134;MM123134;C=CC(N)C(=O)NC(N)=O;HLWADCCVLCUZLF-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123135;MM123135;Nc1c[nH]c(O)c1F;QJGWPJAECJLLJR-UHFFFAOYSA-N;116.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123136;MM123136;Nc1c[nH]c(F)c1F;XVVHKAUIAJHBEK-UHFFFAOYSA-N;118.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123137;MM123137;Cc1[nH]cc(F)c1F;VDVPDGHMMDYSRR-UHFFFAOYSA-N;117.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123138;MM123138;CONC(=NC(N)=O)NO;AGCZLCOHMOHFEJ-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123139;MM123139;Fc1c[nH]c(F)c1F;YBNQFFSHDBUNAA-UHFFFAOYSA-N;121.06;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123140;MM123140;Cc1coc(C)c1C;MNBYRCAFWIZFJM-UHFFFAOYSA-N;110.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123141;MM123141;Cc1coc(N)c1C;VEVPXIYZUDZTDI-UHFFFAOYSA-N;111.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123142;MM123142;Cc1coc(F)c1C;VBQZREQVRGFVQQ-UHFFFAOYSA-N;114.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123143;MM123143;Cc1occ(N)c1C;YEHYOGBCDPBLHA-UHFFFAOYSA-N;111.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123144;MM123144;Cc1c(N)coc1N;DYYUTBOWXJSNDP-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123145;MM123145;Cc1c(N)coc1F;GRIICGFRVGSBIY-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123146;MM123146;CCC(=O)c1nc(=N)[nH]o1;UDPXPWNRLUHURM-UHFFFAOYSA-N;141.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123147;MM123147;Cc1occ(F)c1C;YYOJJSNROGNVOP-UHFFFAOYSA-N;114.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123148;MM123148;Cc1c(F)coc1N;UPRRAHDNFMCJJF-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123149;MM123149;Cc1c(F)coc1F;FVYIMDKWUGWNDQ-UHFFFAOYSA-N;118.08;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123150;MM123150;Cc1coc(C)c1N;DZQPHOZTEOOZQZ-UHFFFAOYSA-N;111.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123151;MM123151;Cc1coc(N)c1N;MJMBEZGHYINIMC-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123152;MM123152;Cc1coc(O)c1N;IYDBCXHAYCYNPF-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123153;MM123153;Cc1coc(F)c1N;HFHSHHLNBDDAOS-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123154;MM123154;Cc1occ(N)c1N;VFGOCJFBHRGZAT-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123155;MM123155;Nc1coc(N)c1N;OMGQAUBKBRBWTH-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123156;MM123156;Nc1coc(O)c1N;YBMOCVFECAAYQZ-UHFFFAOYSA-N;114.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123157;MM123157;Nc1coc(F)c1N;JAXAWOIFXPQXGR-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123158;MM123158;CN=c1[nH]c(C)c(F)o1;YFBIJFGCYPOCGV-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123159;MM123159;Cc1occ(F)c1N;BVOQMHIVGVPKEZ-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123160;MM123160;Nc1c(F)coc1F;HVESQHMBVXSANZ-UHFFFAOYSA-N;119.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123161;MM123161;N#Cc1c[nH]c(=O)n1O;YOLLJRBOCBYBGS-UHFFFAOYSA-N;125.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123162;MM123162;Cn1c(F)cc(O)nc1=O;JRCWBJMYAFIDCM-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123163;MM123163;ON=c1onnc(F)c1F;SFIQGDJNVFBQCM-UHFFFAOYSA-N;149.06;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123164;MM123164;Cn1c(=NO)on(O)c1=O;IIDCCSYGYSLSOU-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123165;MM123165;O=c1cc(CF)on1O;ONMHVCBLMLCXQV-UHFFFAOYSA-N;133.08;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123166;MM123166;C=C(C)c1n[nH]c(=O)n1O;PJQJGCSCYZMPDL-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123167;MM123167;Cc1coc(C)c1F;OKXAAJMMYICXRK-UHFFFAOYSA-N;114.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123168;MM123168;Cc1coc(N)c1F;XLSMGRQWXQTZTA-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123169;MM123169;Cc1onnc(=O)c1O;GXLMFRXSTMNSCN-UHFFFAOYSA-N;128.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123170;MM123170;Cc1coc(F)c1F;RLYPSIXBCMFVFL-UHFFFAOYSA-N;118.08;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123171;MM123171;Cc1occ(N)c1F;IKZKPILYGSRZAL-UHFFFAOYSA-N;115.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123172;MM123172;Nc1coc(N)c1F;JWWHZFOAPUTYGN-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123173;MM123173;Cc1nnn2c(=O)[nH]oc12;PEXHPRYFGGHUAY-UHFFFAOYSA-N;140.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123174;MM123174;Nc1coc(F)c1F;RIQHCXQJXSWRLI-UHFFFAOYSA-N;119.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123175;MM123175;O=c1ncn(O)c(O)c1O;WOFXYXQZWHLYHI-UHFFFAOYSA-N;144.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123176;MM123176;NC(=O)NC(C=O)C=O;QXXPGVGHWHRUAD-UHFFFAOYSA-N;130.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123177;MM123177;Cc1occ(F)c1F;KVGQANOJGVJPNY-UHFFFAOYSA-N;118.08;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123178;MM123178;Nc1occ(F)c1F;NANXIULYVHFLPH-UHFFFAOYSA-N;119.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123179;MM123179;O=CC=NOC(C=O)=NO;FNRHQYMUGAXSLC-UHFFFAOYSA-N;144.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123180;MM123180;Fc1coc(F)c1F;XVJKKOOIXPSDNQ-UHFFFAOYSA-N;122.05;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123181;MM123181;CNN=CCONC(N)=O;GEJLIYJMOFDVQH-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123182;MM123182;N#CC=CNC(=O)NC=N;NYWYKXDMYMTLNQ-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123183;MM123183;COC=C(C)C(=N)NC=O;SLHXMXYXPLFXHB-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123184;MM123184;N=Nc1c[nH]c(=O)n1O;JDDIUULWBWRWKF-UHFFFAOYSA-N;128.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123185;MM123185;Cc1c(F)n[nH]c1F;IQPNMQDVQCFPFO-UHFFFAOYSA-N;118.09;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123186;MM123186;C=C(C)C(=C)N(N)C=NO;TVSIXDPDRDHTGL-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123187;MM123187;CC(C=NO)=C(C)C(C)C;ZIQBYQZRVFNJSS-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123188;MM123188;OCCOCC(CO)=NO;WJBNYVGEVNZFTM-UHFFFAOYSA-N;149.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123189;MM123189;CCC(=O)NC(CC)=NC;LXZOZHTWHXLOGK-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123190;MM123190;OCC(O)(C=NO)C=NO;IQMFNZJLKNBXRJ-UHFFFAOYSA-N;148.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123191;MM123191;Nc1c(F)n[nH]c1F;MUKCUAJNFZETGS-UHFFFAOYSA-N;119.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123192;MM123192;C#CCc1cc(O)n(C)n1;KRCFMXMQLQYUEL-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123193;MM123193;Cc1nc(=N)o[nH]1;LGNNZKURGCOEJY-UHFFFAOYSA-N;99.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123194;MM123194;Cn1c(C#N)nc(=O)n1O;CALRBSWETXHMLJ-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123195;MM123195;CC(CO)CC=CC=NO;VJTVPRRRSSIPCP-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123196;MM123196;O=Cc1ccn(O)c(=O)n1;ZUWKMOBZIAALJD-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123197;MM123197;Cc1[nH]nc(F)c1F;SVRNGBXWEJZIQK-UHFFFAOYSA-N;118.09;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123198;MM123198;Nc1[nH]nc(F)c1F;RKKJLBCTCUAPRY-UHFFFAOYSA-N;119.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123199;MM123199;Cc1c(C)n(O)c(=O)n1O;LPVYMAJEEKILIH-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123200;MM123200;Cc1noc(C)c1C;MGHKWBQZEBMFOH-UHFFFAOYSA-N;111.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123201;MM123201;Cc1[nH]oc(=N)c1C;JCDACMQZLZIPOQ-UHFFFAOYSA-N;112.13;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123202;MM123202;C=c1oc(=CC)n(O)c1=O;SYRZTVGSRLGDSU-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123203;MM123203;Cc1noc(F)c1C;ADDMVAWWOZVFGJ-UHFFFAOYSA-N;115.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123204;MM123204;Cc1onc(F)c1C;SUTDHUSXMAXQLN-UHFFFAOYSA-N;115.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123205;MM123205;C=CC(C)=CC=CC=NO;OCIAMRJQXADNPM-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123206;MM123206;C=Cc1nn(C)c(=O)n1O;GJXQCPAKBPDWQS-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123207;MM123207;Cc1c(F)noc1F;IFTBBOROMTYCGM-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123208;MM123208;N=C(NN)C(C=NN)=NO;FWJYKGDSKZERQY-UHFFFAOYSA-N;144.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123209;MM123209;Cc1[nH]oc(=N)c1N;WAUBMQBWUDLZFN-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123210;MM123210;Nc1ccn(O)c(=O)n1;DQDFTGKLWKBNCB-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123211;MM123211;CN=C(NC=O)C(C)=CN;KMUOTHIBKCVYTM-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123212;MM123212;Cc1onc(F)c1N;ZNAMXPOFYDLKMU-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123213;MM123213;Nc1onc(F)c1N;RNKFIUHTPNFHDT-UHFFFAOYSA-N;117.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123214;MM123214;O=c1cccnn1O;VCCKCLUJZKJQJY-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123215;MM123215;Nc1c(F)noc1F;QSPUUMKKGCUONK-UHFFFAOYSA-N;120.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123216;MM123216;O=c1c(F)cn(O)n1O;OQOPTAWJTGMJEL-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123217;MM123217;Nc1cnc(=O)n(O)c1;ZVUQRDYVFCHWQY-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123218;MM123218;CNc1cnc(=O)n(O)c1;DWTFANCCIJPFEY-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123219;MM123219;OCc1cc(F)c(O)o1;XCYWZZGFRPLQHH-UHFFFAOYSA-N;132.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123220;MM123220;N#CC#Cc1coc(O)c1;LOLNFGVMHDHRSF-UHFFFAOYSA-N;133.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123221;MM123221;C#Cc1nc(O)no1;DQOMCSXQWTWPSD-UHFFFAOYSA-N;110.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123222;MM123222;Cc1noc(C)c1F;DINBCTNLSMGLIB-UHFFFAOYSA-N;115.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123223;MM123223;Oc1oc(O)c(F)c1O;ZJPWVFCEWUTXJE-UHFFFAOYSA-N;134.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123224;MM123224;Cc1noc(F)c1F;VNFPNVUDYYSLGF-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123225;MM123225;Cc1onc(F)c1F;RYWMKNFWKQKTOV-UHFFFAOYSA-N;119.07;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123226;MM123226;Nc1onc(F)c1F;YUMQHMRCEQYFKA-UHFFFAOYSA-N;120.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123227;MM123227;C#Cc1coc(C=CO)c1;OHDRNHUFLQZNKH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123228;MM123228;Fc1noc(F)c1F;HMYNXYDEMFYEAI-UHFFFAOYSA-N;123.03;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123229;MM123229;CC1C2CCCC12C;ZIKAXADPWHIOIH-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123230;MM123230;CC12CCCC1C2N;QCDCXVMOYGVDRI-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123231;MM123231;NC1C2CCCC12N;ZAMFLEVVFFZSNS-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123232;MM123232;C=NNCC(C#N)NC=O;MOGRRDYHLLVJPD-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123233;MM123233;CC1C2CCCC12F;HEQGRHZJBSCPLZ-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123234;MM123234;NC1C2CCCC12F;OODRENBHWVFWCH-UHFFFAOYSA-N;115.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123235;MM123235;CC1C2CNCC12C;GMGHNQUJSFCZIG-UHFFFAOYSA-N;111.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123236;MM123236;CC12CNCC1C2N;AJYKTRJMCMSDQI-UHFFFAOYSA-N;112.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123237;MM123237;CC12CNCC1C2O;JZNWVRRHPQKCPR-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123238;MM123238;CC1C2CNCC12N;OUUPQZRZRHLMMK-UHFFFAOYSA-N;112.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123239;MM123239;CC1C2CNCC12O;IFRPCGKRFAUEHL-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123240;MM123240;NC1C2CNCC12O;XCCNNTNOPSRKCB-UHFFFAOYSA-N;114.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123241;MM123241;CC1C2CNCC12F;BRBBDPNFPGRUPU-UHFFFAOYSA-N;115.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123242;MM123242;NC1C2CNCC12F;IDVPGESWTAUPGY-UHFFFAOYSA-N;116.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123243;MM123243;CC1C2COCC12C;YXKUTIAXWJHBGO-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123244;MM123244;CC12COCC1C2N;LEJUPFRYAHBWOX-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123245;MM123245;CC1C2COCC12N;PJUDUKOAKSPGTE-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123246;MM123246;CC1C2COCC12O;CNFPEMISTIWPSD-UHFFFAOYSA-N;114.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123247;MM123247;NC1C2COCC12O;GZYBEBXDTJYOST-UHFFFAOYSA-N;115.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123248;MM123248;OC12COCC1C2F;LBIDNSKXHXHGSQ-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123249;MM123249;CC1C2COCC12F;FPLAZDCSQKKGHW-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123250;MM123250;NC1C2COCC12F;LXZGMNKINPBXMM-UHFFFAOYSA-N;117.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123251;MM123251;OC1C2COCC12F;HSEXCWHYFBMCBM-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123252;MM123252;CC12CCNC1C2N;KOHXTKMEDPKEON-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123253;MM123253;CC12CCNC1C2O;LEUPJQPKQAULOZ-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123254;MM123254;CC1C2NCCC12N;BDZSMLJGACBDOW-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123255;MM123255;CC1C2NCCC12O;MMXKDARGMKHRNS-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123256;MM123256;NC1C2NCCC12O;BIOZBQNLVSANCG-UHFFFAOYSA-N;114.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123257;MM123257;OC1C2NCCC12O;RCWWZUNYZOZEDP-UHFFFAOYSA-N;115.13;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123258;MM123258;CC1C2NCCC12F;RVXZYPLUNMVKAD-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123259;MM123259;NC1C2NCCC12F;UKSKIHFYJVHYKQ-UHFFFAOYSA-N;116.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123260;MM123260;OC1C2NCCC12F;BRDYVKOHVYPORS-UHFFFAOYSA-N;117.12;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123261;MM123261;CC12CCOC1C2O;XWSSMPUBCFEXOS-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123262;MM123262;NC1C2OCCC12N;QTMOMAJONVIKBS-UHFFFAOYSA-N;114.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123263;MM123263;NC12CCOC1C2O;BIFUNHWYSGBBFH-UHFFFAOYSA-N;115.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123264;MM123264;OC12CCOC1C2F;TUTKIPXEUWJOPR-UHFFFAOYSA-N;118.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123265;MM123265;CCN(C=CC=O)C=NO;MAQAZWBXSZKPKB-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123266;MM123266;CC1C2C=CCC12N;WFLVJMRXINKTBT-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123267;MM123267;CN1C2C=CCC21C;FABJCNUBLYIEMI-UHFFFAOYSA-N;109.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123268;MM123268;CC12CC1CCC2F;QIIUABYYUQASBU-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123269;MM123269;CC1CCC2CC12N;UVPKJCBGXRGDMD-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123270;MM123270;NC12CC1CCC2F;PVLYBKHPBINCQN-UHFFFAOYSA-N;115.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123271;MM123271;CC1NCC2CC21N;AQCMZIZWHNTMBA-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123272;MM123272;CC1OCC2CC21C;NIONPBPCBRYNSS-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123273;MM123273;CC1OCC2CC21O;PANLFWSFJDPTSU-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123274;MM123274;CC1CNC2CC12C;DZQWCSINKJJVOR-UHFFFAOYSA-N;111.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123275;MM123275;CC12CC1NCC2N;XMEVAIVZNNBXEL-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123276;MM123276;CC12CC1NCC2O;IYTUNEMKXYIVRB-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123277;MM123277;CC12CC1NCC2F;ARYNFQGUIKQMST-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123278;MM123278;NC1CNC2CC12N;RPCJXQNIQYPBAG-UHFFFAOYSA-N;113.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123279;MM123279;NC12CC1NCC2O;AGZFWOCZLBPSIV-UHFFFAOYSA-N;114.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123280;MM123280;NC12CC1NCC2F;HUVAWOCYMTWZGU-UHFFFAOYSA-N;116.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123281;MM123281;CC1CNC2CC12O;WXAKDHRCBUZHTF-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123282;MM123282;NC1CNC2CC12O;ZLOAVDITQYRTLZ-UHFFFAOYSA-N;114.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123283;MM123283;OC12CC1NCC2F;QJTDOUGTJQMDKE-UHFFFAOYSA-N;117.12;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123284;MM123284;CC1CNC2CC12F;RXFVDKKIWRQUET-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123285;MM123285;NC1CNC2CC12F;XEIUIMDBKFAMNF-UHFFFAOYSA-N;116.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123286;MM123286;CC12CC1OCC2N;NDIOMFCQLNLWPK-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123287;MM123287;CC12CC1OCC2O;ZZEAMCQZEZRZOZ-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123288;MM123288;CC12CC1OCC2F;PBVLAKSXPSXRGO-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123289;MM123289;CC1COC2CC12N;QQXXDSFSFPIJDW-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123290;MM123290;NC1COC2CC12N;BBRJNALRAVTQCR-UHFFFAOYSA-N;114.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123291;MM123291;CN1CCC2CC21C;CWPOPPQXXUOQFW-UHFFFAOYSA-N;111.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123292;MM123292;CC12NC1CNC2=N;SADOGCQKBKKPTQ-UHFFFAOYSA-N;111.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123293;MM123293;CN1C=NC2CC21C;AVQRJMIPXVGBFF-UHFFFAOYSA-N;110.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123294;MM123294;C=CC(=NC=CC)NC=O;MQCBZKRVHOICMT-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123295;MM123295;C=C1C=CC2CC12C;KAOBMRHDTZMHNV-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123296;MM123296;C=C1C=CC2CC12N;JQSYQBOFSXGXHG-UHFFFAOYSA-N;107.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123297;MM123297;C=C(C)C(=NO)C(C)CC;GTWBXJCHEMKSDB-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123298;MM123298;O=C1C=CC2CC12O;IVEPEPXMOAAAJN-UHFFFAOYSA-N;110.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123299;MM123299;C=C1C=CC2CC12F;FOWAKGMEYABABU-UHFFFAOYSA-N;110.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123300;MM123300;C#CCN1CCC1=O;XUFDAUOCMYYYDX-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123301;MM123301;CC#CCC1CNC1;KGTPTOHDOMEEKZ-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123302;MM123302;N#CC=CC1CCC1;BOOTUGDAUWQTPJ-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123303;MM123303;N#CC=CC1CNC1;PIXWIZVGFQOFGI-UHFFFAOYSA-N;108.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123304;MM123304;N#CC=CN1CCC1;XTPRFPFWZDLLCC-UHFFFAOYSA-N;108.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123305;MM123305;CCC#CC1CCC1;LOPLSBYJOCSRMX-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123306;MM123306;CCC#CC1CNC1;IFIQOMZDZMRHDD-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123307;MM123307;CCC#CC1COC1;BCGJKDACAWRHHS-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123308;MM123308;CCC#CC1CCN1;PAKFASUKALQXDP-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123309;MM123309;C=CC#CC1CCC1;OHIIZZCXLFTTKR-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123310;MM123310;N#CC#CC1CCC1;PKJGZRHVGRCZTI-UHFFFAOYSA-N;105.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123311;MM123311;C=CC#CC1CNC1;IESOSSDXIVFFIV-UHFFFAOYSA-N;107.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123312;MM123312;N#CC#CC1CNC1;UAPJWCZSHSAWJP-UHFFFAOYSA-N;106.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123313;MM123313;C=CC#CC1COC1;YYYGGEJBFXRCFA-UHFFFAOYSA-N;108.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123314;MM123314;N#CC#CC1COC1;SCJXKWWTBHNBMH-UHFFFAOYSA-N;107.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123315;MM123315;C=CC#CC1CCN1;UMERZRYEWQRMHE-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123316;MM123316;C=CC#CC1CCO1;XWJASJPVLFMLJQ-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123317;MM123317;N#CC#CC1CCO1;XDNNHONTMRYNRV-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123318;MM123318;C#CC#CC1CCC1;CSMVSWZIPXZVGS-UHFFFAOYSA-N;104.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123319;MM123319;C#CC#CC1CNC1;IHXCBYGBLNWQHZ-UHFFFAOYSA-N;105.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123320;MM123320;C#CC#CC1COC1;ORQJBSMBGSXTTR-UHFFFAOYSA-N;106.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123321;MM123321;C#CC#CC1CCN1;AWSPZPVJEABJOE-UHFFFAOYSA-N;105.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123322;MM123322;C#CC#CC1CCO1;LIXSNWYDGXFYFJ-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123323;MM123323;NCCC1CCCC1;UKPLRVAKKXWITN-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123324;MM123324;CCCC1CCNC1;RKFKEXKTXWGBCN-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123325;MM123325;CCCC1CCOC1;LIVHIUATGMRPFU-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123326;MM123326;CCCC1CCCN1;ICALDHCMXFGLBN-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123327;MM123327;CCCC1CCCO1;DTGZORBDGLEVNY-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123328;MM123328;C=CCC1CCCC1;NHIDGVQVYHCGEK-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123329;MM123329;N#CCC1CCNC1;ZKKCALAGXBADEJ-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123330;MM123330;N#CCC1CCOC1;RWNLNUQZBGAUKN-UHFFFAOYSA-N;111.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123331;MM123331;N#CCC1CCCN1;LDOZNMLVJHQCAB-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123332;MM123332;N#CCC1CCCO1;LSCVJPYMXOAEPX-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123333;MM123333;N#CCN1CCCC1;NPRYXVXVLCYBNS-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123334;MM123334;C#CCC1CCOC1;QEZVLUPGYYEBDP-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123335;MM123335;C#CCN1CCCC1;IUGUPWHFLZEPHN-UHFFFAOYSA-N;109.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123336;MM123336;CC=CC1CCCC1;YRNAXPCUXXETST-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123337;MM123337;CC=CC1CCNC1;UZVGOAGGPJVBKB-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123338;MM123338;CC=CC1CCOC1;PAJAYUIURWOYPY-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123339;MM123339;CC=CC1CCCN1;PVGFHGLKWBGMOX-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123340;MM123340;CC=CC1CCCO1;PRSWGPVREYKEKE-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123341;MM123341;CN=CN1CCCC1;RTZLYHMXDDWBLO-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123342;MM123342;CC=NN1CCCC1;OKUPUIZUELNRNE-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123343;MM123343;CC#CC1CCCC1;AYXLFXLLAIBNOX-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123344;MM123344;CC#CC1CCNC1;UIWBCGUXQCYJJD-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123345;MM123345;CC#CC1CCOC1;YTBVHYVODABBCI-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123346;MM123346;CC#CC1CCCN1;GIKMNBGVIFGTBP-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123347;MM123347;CC#CC1CCCO1;DHASIADRLPZBSG-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123348;MM123348;CC#CC1COCO1;XXDPDKQPZXGCOH-UHFFFAOYSA-N;112.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123349;MM123349;CCC=C1CCCC1;JCZSETXGLMHOIT-UHFFFAOYSA-N;110.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123350;MM123350;NCC=C1CCCC1;LVDCSSHLQISKRX-UHFFFAOYSA-N;111.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123351;MM123351;OCC=C1CCCC1;QVJQOGBUMUORJZ-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123352;MM123352;COC=C1CCCC1;XJDHMMRGHOVOPF-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123353;MM123353;CNN=C1CCCC1;PSIBJTYYRPGVPH-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123354;MM123354;CCC=C1CCNC1;ZSIXFAYVZOLAHC-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123355;MM123355;NCC=C1CCNC1;CAFZELKVVGQXEK-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123356;MM123356;OCC=C1CCNC1;ZQCFBPVIOJHQCX-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123357;MM123357;CCC=C1CCOC1;WUPAVGVDNDXNJP-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123358;MM123358;NCC=C1CCOC1;RPAYLDZYAABJAM-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123359;MM123359;OCC=C1CCOC1;NJODUJQQPNGDOG-UHFFFAOYSA-N;114.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123360;MM123360;CNN=C1CCOC1;LBQXNWDUCUGJOH-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123361;MM123361;CCN=C1CCCN1;XHZVBQOIVAXSRT-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123362;MM123362;CCN=C1CCNN1;WOQCDHHFTSNZKP-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123363;MM123363;CCC=C1CCCO1;FAOHXZAGXRKXGY-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123364;MM123364;NCC=C1CCCO1;CKQKLKABKZLMHO-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123365;MM123365;CCC=C1COCO1;UCBWUWTYDZSBRI-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123366;MM123366;C=CC=C1CCCC1;VELBXMDOOBTLRW-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123367;MM123367;O=CC=C1CCCC1;YCOLTBFWHMEGQK-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123368;MM123368;N#CC=C1CCCC1;DNAYRSBMBDMJNU-UHFFFAOYSA-N;107.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123369;MM123369;C=NN=C1CCCC1;VXYBAXVMVGCZDI-UHFFFAOYSA-N;110.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123370;MM123370;C=CC=C1CCNC1;UTZXYZDBQFWLQQ-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123371;MM123371;O=CC=C1CCNC1;JGVVKUONYQBSIP-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123372;MM123372;N#CC=C1CCNC1;FVDJFQAIQGKJDR-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123373;MM123373;C=CC=C1CCOC1;UTWIQDUKXVICNB-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123374;MM123374;O=CC=C1CCOC1;BAKQEVWILROCQC-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123375;MM123375;N#CC=C1CCOC1;RDWWMQDCKZIDJM-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123376;MM123376;O=CC=C1CCCN1;CHGNGCWTVFPLTR-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123377;MM123377;N#CC=C1CCCN1;PARGAVROCAZXKF-UHFFFAOYSA-N;108.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123378;MM123378;N=CNC1=NCCC1;DDGFANAKBZFIIS-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123379;MM123379;N=CNC1=NNCC1;GUJPWQAENYFKKO-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123380;MM123380;CC1(C)C2CC(=NO)NC21;ZLWIHZUMQVIZRD-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123381;MM123381;C=CC=C1CCCO1;VXYNCEXAKIJVKR-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123382;MM123382;O=CC=C1CCCO1;JOYURFMIPKZBFE-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123383;MM123383;N#CC=C1CCCO1;DBJZCSVKPWGGLE-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123384;MM123384;C=CC=C1COCO1;CACBVUSLOJCBAQ-UHFFFAOYSA-N;112.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123385;MM123385;O=CC=C1COCO1;ZOBVJRYTTJXVBG-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123386;MM123386;N#CC=C1COCO1;LQXIVPZGOGBYGP-UHFFFAOYSA-N;111.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123387;MM123387;N#CC=C1NCCN1;WAFRBZOLXQGXPQ-UHFFFAOYSA-N;109.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123388;MM123388;N#CC=C1NCCO1;ALKGXRWUWNLNOP-UHFFFAOYSA-N;110.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123389;MM123389;C#CC=C1CCCC1;MZYISIIVJFHYQO-UHFFFAOYSA-N;106.17;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123390;MM123390;C#CC=C1CCNC1;OKMAEVYWZCARMO-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123391;MM123391;C#CC=C1CCOC1;FQOUOBDKNGMPDO-UHFFFAOYSA-N;108.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123392;MM123392;C#CC=C1CCCO1;PPEYHCGJXOWFMZ-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123393;MM123393;C#CC=C1COCO1;LJRQPHVOAIXZGA-UHFFFAOYSA-N;110.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123394;MM123394;C=CN(NC)C(=O)NC=O;NAAZHGXIJZHPOU-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123395;MM123395;CCCC1CC=NN1;YJMMTFQSMKYWSB-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123396;MM123396;NCCC1CN=CN1;PBGSUQANSGDJDX-UHFFFAOYSA-N;113.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123397;MM123397;N#CCC1CC=CC1;DCMUYMCATZCKMB-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123398;MM123398;CCC(CC)=C(C)C=NO;CCFGJBHBDRFHCU-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123399;MM123399;C=CCC1CN=CN1;LZYTUOWLDIBLEE-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123400;MM123400;N#CCC1CN=CN1;CCMZUNIJTJSOQI-UHFFFAOYSA-N;109.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123401;MM123401;N#CCC1CC=CO1;HWTYJZWHICRYEL-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123402;MM123402;N#CCC1CC=NO1;YPUCMNAOAVSKDH-UHFFFAOYSA-N;110.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123403;MM123403;N#CCN1CC=CC1;CXXBFBWRURDFNB-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123404;MM123404;C#CCC1CC=CC1;UTVNIJTZGUFLJI-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123405;MM123405;C#CCC1CC=CO1;BCPKYOFIYMCPQJ-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123406;MM123406;C#CCC1CC=NO1;WVMREZXZALVRBF-UHFFFAOYSA-N;109.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123407;MM123407;CC=CC1CC=CC1;MZZDKYPJLRBBQT-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123408;MM123408;CC=CC1CN=CN1;TVZGGQXEHKWQOB-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123409;MM123409;CC=CC1CC=CO1;XOCNDOWZIBXRCC-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123410;MM123410;CN=CN1CC=CC1;TZXUDPRFAWJCRE-UHFFFAOYSA-N;110.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123411;MM123411;CC=NN1CC=CC1;CGSZXBIUOQXBCC-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123412;MM123412;CC#CC1CC=CC1;CLHICZIOTSGAQJ-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123413;MM123413;C#CCN1CC(=NN)C=N1;QLYYSRDCECSBBL-UHFFFAOYSA-N;136.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123414;MM123414;CC#CC1CC=CO1;KTMZNURNSDVBTR-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123415;MM123415;CC#CC1CC=NO1;ZONFPGGGMKXOAJ-UHFFFAOYSA-N;109.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123416;MM123416;CCC=C1CC=CC1;CXKRIISFGKBAJJ-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123417;MM123417;NCC=C1CC=CC1;RWVKEPUZTWOZEJ-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123418;MM123418;OCC=C1CC=CC1;BLADDVCIYYWGJL-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123419;MM123419;COC=C1CC=CC1;SYRHCCXTBBVMFC-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123420;MM123420;CNN=C1CC=CC1;VLMTVIYBEHDBET-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123421;MM123421;CCN=C1CC=CN1;RWRARFAMFAHHPH-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123422;MM123422;C#Cc1nc(CC=C)c[nH]1;BUPKTPXACWLUAV-UHFFFAOYSA-N;132.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123423;MM123423;CCC=C1CN=CN1;RQFFBWNVFSNYRJ-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123424;MM123424;NCC=C1CN=CN1;VSJUVRAOLFCRHM-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123425;MM123425;OCC=C1CN=CN1;LPZBSYUVYLPDEW-UHFFFAOYSA-N;112.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123426;MM123426;C#CC12CN(N)C(=O)C1O2;OFFJPMITWYSIGX-UHFFFAOYSA-N;138.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123427;MM123427;CCC=C1CC=CO1;YFAODPSVSNNWDG-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123428;MM123428;NCC=C1CC=CO1;PGKWGQVCQOWDID-UHFFFAOYSA-N;111.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123429;MM123429;OCC=C1CC=CO1;IGJZTGGEWQZJIQ-UHFFFAOYSA-N;112.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123430;MM123430;CCN=c1[nH]cc[nH]1;KKKRLJYCDDWEMQ-UHFFFAOYSA-N;111.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123431;MM123431;O=c1ncc(CO)cn1O;OPYCJRFMVWIMKR-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123432;MM123432;ON=C1CCNN1;DLPXSUDLPXJSEJ-UHFFFAOYSA-N;101.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123433;MM123433;CON=c1occo1;HJEXVTIYQWIXCD-UHFFFAOYSA-N;115.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123434;MM123434;CNC(=O)NC(C)=N;IVFWGKAOBUOQJF-UHFFFAOYSA-N;115.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123435;MM123435;CON=c1ocno1;ZPECRRSBDNBUBH-UHFFFAOYSA-N;116.08;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123436;MM123436;CNN=c1onno1;DFOYJUPBJCAWME-UHFFFAOYSA-N;116.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123437;MM123437;CON=c1onno1;FAYKKRNQWHYZPL-UHFFFAOYSA-N;117.06;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123438;MM123438;C=CC=C1CC=CC1;CBMWFMFRTWZXNN-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123439;MM123439;O=CC=C1CC=CC1;LXPDTSJZGUMGIQ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123440;MM123440;N#CC=C1CC=CC1;CDZONLZSWCUHPD-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123441;MM123441;N=CNC1=NC=CC1;FSMNKSOETGACBV-UHFFFAOYSA-N;109.13;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123442;MM123442;C=NNC(=O)NNC;VQSPEPWIFYOXFS-UHFFFAOYSA-N;116.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123443;MM123443;N=CNC(=O)C=CF;CJZVFUYQXFKNKP-UHFFFAOYSA-N;116.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123444;MM123444;C=CC=C1CN=CN1;GSOKZFNUXSWYCB-UHFFFAOYSA-N;108.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123445;MM123445;C=CC=C1CC=CO1;LDLZFUQGFBGRDG-UHFFFAOYSA-N;108.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123446;MM123446;C#CCC(=O)NOCCO;SRLAPXRDNVQHHX-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123447;MM123447;C=NN=C1CC=CO1;CUGUCBOWXLEUSB-UHFFFAOYSA-N;110.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123448;MM123448;N=CN=c1[nH]cc[nH]1;OVNWVZRVWQWGFH-UHFFFAOYSA-N;110.12;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123449;MM123449;CC1CC(=O)NC1=N;UBVKOOVDLXBBJK-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123450;MM123450;CC1CC(=N)NC1=O;XDTYTPMNHYJINU-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123451;MM123451;Cc1cnc(=O)n(O)c1C;JEWIUWQZDDJSNU-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123452;MM123452;C=NN=c1occo1;PZBSUPGDZUGOCK-UHFFFAOYSA-N;112.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123453;MM123453;C=NN=c1ocno1;LNGYEGARFVJSKG-UHFFFAOYSA-N;113.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123454;MM123454;C=NN=c1onno1;ZTJYBQDAFMBOMJ-UHFFFAOYSA-N;114.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123455;MM123455;C#CC=C1CC=CC1;NJAFHMBPPHWZJV-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123456;MM123456;C#CC=C1CC=CO1;GTQUKLYAADCBTB-UHFFFAOYSA-N;106.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123457;MM123457;CCCC1C=CCC1;RBEROAUIKMEYDR-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123458;MM123458;CCCC1C=NNC1;GYJLSHWAUKHPJA-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123459;MM123459;CCCC1C=COC1;JZUVDPJTGXHTCZ-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123460;MM123460;NCCC1C=COC1;OUBLOVXLTCQDQL-UHFFFAOYSA-N;113.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123461;MM123461;NCCC1C=NOC1;LTSSJYCQHDLGCO-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123462;MM123462;CCCC1C=CCN1;AOTYBMVEFSQQPM-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123463;MM123463;CCCN1C=NCC1;DQMGGFLAWASUJS-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123464;MM123464;NCCN1C=NCC1;HUVYLRHAZAEUHY-UHFFFAOYSA-N;113.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123465;MM123465;CCCN1CCC=N1;VQSHJOCXOOKKCT-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123466;MM123466;NCCN1CCC=N1;YLMJFSINCPSTBC-UHFFFAOYSA-N;113.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123467;MM123467;N#CCC1C=CCC1;DYKPFRUDZIOOFV-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123468;MM123468;Nc1ncn(N)c1O;GTAJMGBKCCVDNC-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123469;MM123469;CC=C(C)C=CC=NO;OIRZSJUCFJYZIE-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123470;MM123470;C=CCC1C=COC1;UJJJYSMJEYLSKE-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123471;MM123471;N#CCC1C=COC1;VMKMPEGGVWGHPB-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123472;MM123472;N#CCC1C=NOC1;POYHQMZQIOJUSJ-UHFFFAOYSA-N;110.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123473;MM123473;N#CCC1C=CCO1;UAFPRZJTFBOQGG-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123474;MM123474;C=CCN1C=NCC1;OOSLOQRYRQBSTJ-UHFFFAOYSA-N;110.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123475;MM123475;O=CCN1C=NCC1;DLJYXTHUGIHCFC-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123476;MM123476;N=CNN1C=NCC1;DLKKAPYFTNKDDF-UHFFFAOYSA-N;112.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123477;MM123477;C=CCN1CCC=N1;ZWAMZBCFMBMWPU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123478;MM123478;N#CCN1CCC=N1;QQPAYVTXSRTBKG-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123479;MM123479;C#CCC1C=CCC1;UDKMVJZZXDGFAE-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123480;MM123480;C#CCC1C=NNC1;PWGCLWCWNLIUNU-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123481;MM123481;C#CCC1C=COC1;UZQJYLVSYOPWOD-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123482;MM123482;C#CCC1C=NOC1;VYNSOGHOYNVIKN-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123483;MM123483;C#CCC1C=CCN1;GTBMVLQIJBGFOW-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123484;MM123484;C#CCC1C=CCO1;NSRIZTRODIXWQP-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123485;MM123485;C#CCN1CCC=N1;JOZIMQXIUAEDKF-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123486;MM123486;CC=CC1C=CCC1;WANDYCZWCADTLK-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123487;MM123487;CC=CC1C=COC1;QVYJRLDWWOMOOQ-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123488;MM123488;CC=CC1C=NOC1;NELCUOWPWIFJGJ-UHFFFAOYSA-N;111.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123489;MM123489;CC=CC1C=CCN1;VFTWVRRTFMCYDS-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123490;MM123490;CN=CN1C=CCC1;XITQASIDKIALNS-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123491;MM123491;CC=CN1C=NCC1;XYXKGFAXOACTEE-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123492;MM123492;CC=NN1C=NCC1;LJSZEHURJRYJKY-UHFFFAOYSA-N;111.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123493;MM123493;CN=CN1CCC=N1;USZVVPOJZQQNEZ-UHFFFAOYSA-N;111.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123494;MM123494;CN=CN1C=CCN1;QOBUYKGKBIKULH-UHFFFAOYSA-N;111.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123495;MM123495;CC#CC1C=CCC1;RAIXUIFOWJOZDX-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123496;MM123496;CC#CC1C=NNC1;COEHCVTXLXMRHB-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123497;MM123497;CC#CC1C=COC1;YGBHQZVYTMHDKN-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123498;MM123498;CC#CC1C=NOC1;LVMUSFFZFAHJOO-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123499;MM123499;CC#CC1C=CCN1;ZRHQNSXFEPNTEG-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123500;MM123500;CC#CC1C=CCO1;XNVKDDARIGUDRN-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123501;MM123501;CCC=C1C=CCC1;DAHZEDJJLIGVJZ-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123502;MM123502;NCC=C1C=CCC1;YBKKOVQBPKSJBF-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123503;MM123503;OCC=C1C=CCC1;AOKUUZYGAMOTQM-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123504;MM123504;COC=C1C=CCC1;JUGDHAKYRHALPJ-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123505;MM123505;C=CN(C)C(=O)NC=N;PJNPQIPFCHCSDR-UHFFFAOYSA-N;127.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123506;MM123506;CCC=C1C=NNC1;NVGAQDGPTIXEPN-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123507;MM123507;NCC=C1C=NNC1;ZFEYAZIAZBOKLR-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123508;MM123508;C=C(C=NO)C(C)=CC;UXATZDOELLOFPG-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123509;MM123509;CN=CC1=CNNC1;KMKWVEQEPQGVGQ-UHFFFAOYSA-N;111.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123510;MM123510;COC=C1C=NNC1;GJLXVZYZLUQALI-UHFFFAOYSA-N;112.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123511;MM123511;CCC=C1C=COC1;BYZXTLGWROFNON-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123512;MM123512;NCC=C1C=COC1;CYNOWDPRBFKZLG-UHFFFAOYSA-N;111.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123513;MM123513;OCC=C1C=COC1;WZRGFZOAVXUEJM-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123514;MM123514;C=CC(C=NO)=CCC;CLTZMOSUMRMKQD-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123515;MM123515;CCC=C1C=NOC1;KFKVLRAUEMZMCC-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123516;MM123516;NCC=C1C=NOC1;SHOQJEPTSYEFEH-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123517;MM123517;CC1=NC(C#N)CN1O;KEVDEZYFGGKQJZ-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123518;MM123518;CN=CC1=CNOC1;DHRPIXVFKFGBAL-UHFFFAOYSA-N;112.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123519;MM123519;CCN=C1C=CCN1;JGYCBKOQBKNSDZ-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123520;MM123520;NC1=CC(NC=O)=NC1;RPPJOTSLGGRVND-UHFFFAOYSA-N;125.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123521;MM123521;CCNc1c[nH]nn1;LGJRNFQUHHJGAT-UHFFFAOYSA-N;112.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123522;MM123522;CCC(C)(C)CC(C)=NO;GVEYPXGDJHUINF-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123523;MM123523;CCNc1cnon1;WSFGHPKSYOIOGV-UHFFFAOYSA-N;113.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123524;MM123524;CCC=C1C=CCO1;OFPQQIOESCBQJL-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123525;MM123525;NCC=C1C=CCO1;YXPNMXACNOXHAZ-UHFFFAOYSA-N;111.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123526;MM123526;C=CC=C1C=CCC1;FRTBOPGLDBKBAT-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123527;MM123527;O=CC=C1C=CCC1;GGHOMFULQCAUFC-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123528;MM123528;N#CC=C1C=CCC1;LWQTVHJPNOABRC-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123529;MM123529;C=CC(=N)NC(=O)C(=C)C;XUJNJYZXDDBBFW-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123530;MM123530;C=NNC1=CC=NC1;BCLRQVTVCBNOLA-UHFFFAOYSA-N;109.13;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123531;MM123531;C=CC=C1C=NNC1;ZKNHXVBQKYQHRG-UHFFFAOYSA-N;108.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123532;MM123532;CN(C=NO)C=NN(C)C;NNDHQWFFJOTSPV-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123533;MM123533;C=CC=C1C=COC1;NBBBECPZRFSZJC-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123534;MM123534;C=NN=C1C=COC1;GZRDPOAAQWCHPB-UHFFFAOYSA-N;110.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123535;MM123535;C=CC=C1C=NOC1;NYXWDRAMILLLCU-UHFFFAOYSA-N;109.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123536;MM123536;Cn1nnc(O)cc1=NO;INTWBQIVYGLLRN-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123537;MM123537;C=CC(=N)NC(=O)C=CN;YOZCYECPUSLBLK-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123538;MM123538;OC=Cc1ccc[nH]1;ZTQUNFIHMPLINX-UHFFFAOYSA-N;109.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123539;MM123539;N=CNC1=NCC=C1;VMRDKOIYZLJRDM-UHFFFAOYSA-N;109.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123540;MM123540;CN=C(C)NC(=O)CCO;RWCVGTQJMVMMHH-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123541;MM123541;CN=C(NC(C)=O)C(C)C;PCZJLZXTBHQBBZ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123542;MM123542;NN=CNNC(=O)NC=O;SEONIBHDAABGSL-UHFFFAOYSA-N;145.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123543;MM123543;N=CNc1ccon1;HVGGMKOTKYEEEB-UHFFFAOYSA-N;111.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123544;MM123544;C=NNC(=O)N(N)C(C)=N;UWORZSZAHWSAQD-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123545;MM123545;NNC(=NO)NOC(N)=O;DYIFOGXUVJNGCM-UHFFFAOYSA-N;149.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123546;MM123546;C#CC(=C)C(=O)NC=NC;QKWYDMHSGHWKEL-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123547;MM123547;O=CC=NOC(=O)C=NO;JXZDZTUMGDTMEU-UHFFFAOYSA-N;144.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123548;MM123548;C=CC=C1C=CCO1;WULPVDFCFHBHLS-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123549;MM123549;C=NN=c1cc[nH]o1;XKSJMSXCNOPAOO-UHFFFAOYSA-N;111.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123550;MM123550;C=COC(=NO)C(O)CF;BAMVIRDJVFEREV-UHFFFAOYSA-N;149.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123551;MM123551;C#CC=C1C=CCC1;HJVPOXZBNFMQFX-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123552;MM123552;C#CC=C1C=NNC1;YZBLFGOIVPIFKS-UHFFFAOYSA-N;106.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123553;MM123553;C#CC=C1C=COC1;KSOGOKSTZTZPEC-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123554;MM123554;C#CC=C1C=NOC1;PHMSTTBOWITRGR-UHFFFAOYSA-N;107.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123555;MM123555;C#CC=C1C=CCO1;WAJCDUXHDJRFOZ-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123556;MM123556;CCCC1C=NN=C1;RKHRARWMMKFKMO-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123557;MM123557;CCCn1cccc1;MFGOZCIHXVFZBC-UHFFFAOYSA-N;109.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123558;MM123558;CCCn1cccn1;BDMFEFZOOOYCKN-UHFFFAOYSA-N;110.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123559;MM123559;CCCn1cncn1;CUOVNMDNRAZFDH-UHFFFAOYSA-N;111.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123560;MM123560;C=CCC1C=CC=C1;CEQCXRWFIBIHEQ-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123561;MM123561;N#CCC1C=CC=C1;GVWGKMHBQQSYOS-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123562;MM123562;C=CCC1C=NN=C1;DEHSDJRECJTORM-UHFFFAOYSA-N;108.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123563;MM123563;O=CCC1C=NN=C1;OPVPIHLPWJYJLV-UHFFFAOYSA-N;110.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123564;MM123564;N#CCC1C=NN=C1;GZOMEHJNJSUEQH-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123565;MM123565;C=CCn1cccc1;JHFNJRVFKOQALR-UHFFFAOYSA-N;107.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123566;MM123566;O=CCn1cccc1;IHYJJJNENYQKBX-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123567;MM123567;N#CCn1cccc1;POCVKESNHZPAJL-UHFFFAOYSA-N;106.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123568;MM123568;C=CCn1cnnc1;IGTRXABPOYZWRR-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123569;MM123569;N#CCn1cnnc1;JMESXTMBVALUSQ-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123570;MM123570;C=CCn1cccn1;BPPPRRLOPGKVMQ-UHFFFAOYSA-N;108.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123571;MM123571;N#CCn1cccn1;KQULXIRGBBDZKY-UHFFFAOYSA-N;107.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123572;MM123572;C=CCn1ccnn1;MTTRUFMFGDNOGO-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123573;MM123573;N#CCn1ccnn1;OWUXWZUDURZLLJ-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123574;MM123574;C=CCn1cncn1;IADAMWWRAKRHRW-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123575;MM123575;N#CCn1cncn1;ZEDZBEBBGBQWBP-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123576;MM123576;C=CCn1cnnn1;GCQUZKXRJRPLCV-UHFFFAOYSA-N;110.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123577;MM123577;N#CCn1cnnn1;VFVKTYAMTRTZKZ-UHFFFAOYSA-N;109.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123578;MM123578;C=CCn1nccn1;TYVWGGXZENIVAO-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123579;MM123579;N#CCn1nccn1;KJBVJICJPIWZMW-UHFFFAOYSA-N;108.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123580;MM123580;C=CCn1ncnn1;HDMNNPHDEZWAOA-UHFFFAOYSA-N;110.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123581;MM123581;N#CCn1ncnn1;YWTCGGHKHQPYIG-UHFFFAOYSA-N;109.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123582;MM123582;C#CCC1C=CC=C1;NBVKMCCHIRISHN-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123583;MM123583;C#CCC1C=NN=C1;AGUGKBMXNKZNEX-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123584;MM123584;C#CCn1cccc1;YSCMCDMJXLRCAB-UHFFFAOYSA-N;105.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123585;MM123585;C#CCn1cnnc1;LSLOKRDGZUTFOH-UHFFFAOYSA-N;107.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123586;MM123586;C#CCn1cccn1;IQMAASXLMDIWRF-UHFFFAOYSA-N;106.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123587;MM123587;C#CCn1ccnn1;BBMDEASYWHQDKZ-UHFFFAOYSA-N;107.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123588;MM123588;C#CCn1cncn1;OWTQLHQOGZTHRW-UHFFFAOYSA-N;107.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123589;MM123589;C#CCn1cnnn1;DDKBXCBTJFOKAC-UHFFFAOYSA-N;108.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123590;MM123590;C#CCn1nccn1;QQOOSRYNDWRHDY-UHFFFAOYSA-N;107.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123591;MM123591;C#CCn1ncnn1;SVPCEWQBMZNDQM-UHFFFAOYSA-N;108.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123592;MM123592;CC=CC1C=CC=C1;ZUWUAVQVANPECR-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123593;MM123593;CC=CC1C=NN=C1;UQGYBNSSZMGSLW-UHFFFAOYSA-N;108.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123594;MM123594;CC=Cn1cccc1;FXWBVPHFFCAGCZ-UHFFFAOYSA-N;107.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123595;MM123595;CN=Cn1cccc1;BBPQDQOBSOVETI-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123596;MM123596;CC=Nn1cccc1;HJGLPIFCMFDVOO-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123597;MM123597;CC=Cn1ccnc1;HQLVRJJDJGNYQW-UHFFFAOYSA-N;108.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123598;MM123598;CC=Cn1cnnc1;JFECNRRLVXWIHZ-UHFFFAOYSA-N;109.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123599;MM123599;CC=Cn1cccn1;XZZIHWSYIICSEK-UHFFFAOYSA-N;108.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123600;MM123600;CC=Cn1ccnn1;WXTMXECALQBRJF-UHFFFAOYSA-N;109.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123601;MM123601;CC=Cn1cncn1;UGSDDPANJKVXKN-UHFFFAOYSA-N;109.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123602;MM123602;CC=Cn1cnnn1;CZXIGLQZJLOVNQ-UHFFFAOYSA-N;110.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123603;MM123603;CC=Cn1nccn1;XCICEVSUMDTGEZ-UHFFFAOYSA-N;109.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123604;MM123604;CC#CC1C=CC=C1;CTYAJWAZFJECJZ-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123605;MM123605;CC#CC1C=NN=C1;ALKLBAZDHBLVQW-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123606;MM123606;CCC=C1C=CC=C1;AJVKWGPSULGDDB-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123607;MM123607;NCC=C1C=CC=C1;JKTUZEFLHOLWRT-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123608;MM123608;OCC=C1C=CC=C1;GGBPFSSFAIWWFL-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123609;MM123609;COC=C1C=CC=C1;AMTSIXXCKDMDRE-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123610;MM123610;CNN=C1C=CC=C1;FGCJRNZVPBRJAM-UHFFFAOYSA-N;108.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123611;MM123611;C=CC(=O)C=CNC=NO;NKBJHXJXUNXOIU-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123612;MM123612;O=CC1(O)CC1NC=NO;KXCHCRMTRIIYGY-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123613;MM123613;C=CC1=NN(C)C(=N)C1C;TYYRWVJBVHTEPS-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123614;MM123614;C#CC1=NN(C)C(=N)C1C;GNSTULFAXWAVEI-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123615;MM123615;COC=C1C=NN=C1;DIGYZHXFCTYFAX-UHFFFAOYSA-N;110.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123616;MM123616;CN=Nc1cn[nH]c1;IOOKRGIGMCQLLS-UHFFFAOYSA-N;110.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123617;MM123617;CCN=C1C=CC=N1;ZBXBBKKUGRXHBH-UHFFFAOYSA-N;108.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123618;MM123618;N=CN(C=N)N=CNC=O;CKHXXTHAWMLCCX-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123619;MM123619;CCN=C1C=NC=N1;NNWZLTJLMKNNCE-UHFFFAOYSA-N;109.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123620;MM123620;CN=Nc1c[nH]cn1;YRJJHQQCSAOSJB-UHFFFAOYSA-N;110.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123621;MM123621;CCN=C1N=CC=N1;KOEBAEVCKPBJEW-UHFFFAOYSA-N;109.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123622;MM123622;C=CC=C1C=CC=C1;QYYDCBIBLVTGMW-UHFFFAOYSA-N;104.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123623;MM123623;O=CC=C1C=CC=C1;VGHXBQTWWMBKLN-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123624;MM123624;N#CC=C1C=CC=C1;TVEYDVWAFQHDGA-UHFFFAOYSA-N;103.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123625;MM123625;C=NN=C1C=CC=C1;FCTXHXLDRGYECJ-UHFFFAOYSA-N;106.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123626;MM123626;C=NN=C1C=CN=C1;HHGIIAQGCAHNGC-UHFFFAOYSA-N;107.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123627;MM123627;C=CC=C1C=NN=C1;BCXKKXJUFNJKOK-UHFFFAOYSA-N;106.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123628;MM123628;O=CC=C1C=NN=C1;RKJHHIACIYZCCC-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123629;MM123629;N#CC=C1C=NN=C1;URFIYQOAEQZSBS-UHFFFAOYSA-N;105.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123630;MM123630;C=NN=C1C=NN=C1;HJKSTSKWYVDOGA-UHFFFAOYSA-N;108.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123631;MM123631;N#CC=C1C=CC=N1;KXSOIRWTVUHPMS-UHFFFAOYSA-N;104.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123632;MM123632;N=CN=C1C=CC=N1;PIVICCRBBWHDEQ-UHFFFAOYSA-N;107.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123633;MM123633;O=CN=C1C=CC=N1;CEDPETJWIYUSCO-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123634;MM123634;C=NN=C1C=CC=N1;ASLNLPPCUTYWGK-UHFFFAOYSA-N;107.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123635;MM123635;O=CC=C1C=NC=N1;WRZUCLUYCVDHIZ-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123636;MM123636;N#CC=C1C=NC=N1;QCHMTEJKNCZJNT-UHFFFAOYSA-N;105.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123637;MM123637;N=CN=C1C=NC=N1;QNDVIGPMGWYLRT-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123638;MM123638;O=CN=C1C=NC=N1;GVXUZQMAJARUOU-UHFFFAOYSA-N;109.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123639;MM123639;O=CC=C1N=CC=N1;XRSPSAFCHUEFEH-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123640;MM123640;N#CC=C1N=CC=N1;RFGXWQDKXQYPDI-UHFFFAOYSA-N;105.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123641;MM123641;N=CN=C1N=CC=N1;MMRUIKIVPMIGIF-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123642;MM123642;O=CN=C1N=CC=N1;CBCIDZPYZQGZTK-UHFFFAOYSA-N;109.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123643;MM123643;C#CC=C1C=CC=C1;QAOBSLYFCJSAEL-UHFFFAOYSA-N;102.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123644;MM123644;C#CC=C1C=NN=C1;XHATXULERLEGKO-UHFFFAOYSA-N;104.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123645;MM123645;CCCC1=CCCC1;FLWGCAJANMGQBB-UHFFFAOYSA-N;110.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123646;MM123646;NCCC1=CCCC1;QPPWXASYHVFAQA-UHFFFAOYSA-N;111.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123647;MM123647;C#CC(=NO)NCCCF;YIANIUJIQKENAC-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123648;MM123648;CNCC1=CCCC1;MVCOIOAHBJJJMS-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123649;MM123649;CCCC1=COCC1;LAELUSUUFWFCFP-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123650;MM123650;NCCC1=COCC1;NXINUMHGSUPEDZ-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123651;MM123651;CNCC1=COCC1;KXKKHUYZNKJQAP-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123652;MM123652;CCCC1=CCNC1;OHPOUPAYTNFLEP-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123653;MM123653;NCCC1=CCNC1;GZTKNSZRYPUAJY-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123654;MM123654;CNCC1=CCNC1;BKHFUHHNIMUFHP-UHFFFAOYSA-N;112.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123655;MM123655;CCCC1=CCOC1;VUXKEHWALDRLPQ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123656;MM123656;NCCC1=CCOC1;LPNFIHGROLGXFT-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123657;MM123657;CNCC1=CCOC1;VLQYWBIVKFYCGJ-UHFFFAOYSA-N;113.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123658;MM123658;CCCC1=NNCC1;AKTWIZBHAXJYOZ-UHFFFAOYSA-N;112.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123659;MM123659;NCCC1=NNCC1;CCVVJMDNZKUFLU-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123660;MM123660;CCCC1=NOCC1;MCVKLBAZOHYTHJ-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123661;MM123661;NCCC1=NOCC1;CKPQSJXRRFIDOK-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123662;MM123662;CCCC1=CCCO1;RIEZNGVJINQAKJ-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123663;MM123663;CCCC1=COCO1;QZXYHASCYOYZEV-UHFFFAOYSA-N;114.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123664;MM123664;C=CCC1=CCCC1;PHBGIFRCMRLXFK-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123665;MM123665;O=CCC1=CCCC1;PXPYNAJKGKWPAB-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123666;MM123666;N#CCC1=CCCC1;LEWVRAMNXUWSFL-UHFFFAOYSA-N;107.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123667;MM123667;N=CNC1=CCCC1;CUCTUFSWIODLEJ-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123668;MM123668;C=COC1=CCCC1;JAJOJDFBMHAROF-UHFFFAOYSA-N;110.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123669;MM123669;C=CCC1=COCC1;NIBYOKATGUIMNI-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123670;MM123670;O=CCC1=COCC1;SYRCZQXABLOUEF-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123671;MM123671;N#CCC1=COCC1;IVCIKEWNYNIEMH-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123672;MM123672;N=CNC1=COCC1;YYOFDYBAECZYBO-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123673;MM123673;C=COC1=COCC1;YMOASCMPJSXJFL-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123674;MM123674;C=CCC1=CCNC1;UKWMRJUWADKFKK-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123675;MM123675;O=CCC1=CCNC1;SZVAWVLCHVHIGD-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123676;MM123676;N#CCC1=CCNC1;ADAHWXKUEXDTAP-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123677;MM123677;N=CNC1=CCNC1;FEQFQXGTXPMSPN-UHFFFAOYSA-N;111.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123678;MM123678;O=CNC1=CCNC1;BYAFUAFWNCGHDQ-UHFFFAOYSA-N;112.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123679;MM123679;C=COC1=CCNC1;GWUFKHBUTKGSFK-UHFFFAOYSA-N;111.14;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123680;MM123680;C=CCC1=CCOC1;MTLYDWVZBPDKDC-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123681;MM123681;O=CCC1=CCOC1;JZQYZVZRSQXKIX-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123682;MM123682;N#CCC1=CCOC1;YNEDOHOBTTUCCR-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123683;MM123683;N=CNC1=CCOC1;UCRYJWQLGOVQDN-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123684;MM123684;C=CN=C1CCCN1;LOQDXVJIQISXQR-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123685;MM123685;C=CCC1=NNCC1;LLIMRTJQAWNBNT-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123686;MM123686;N=CNc1cc(C=O)[nH]n1;SZAAVLFVSVOBPM-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123687;MM123687;N#CCC1=NNCC1;SULVRHDRZHHRBS-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123688;MM123688;C=CN=C1CCNN1;RGCYAPYTPDAERT-UHFFFAOYSA-N;111.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123689;MM123689;CC1(C)CC(=O)NN1;BEUWBSAVSYYTEI-UHFFFAOYSA-N;114.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123690;MM123690;CCC(=N)NC(N)=O;KCVIJIWGHSVHNN-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123691;MM123691;C=CCC1=NOCC1;NNEVSMWEGKYFSA-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123692;MM123692;CC1(C)CNNC1=O;FJWJYHHBUMICTP-UHFFFAOYSA-N;114.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123693;MM123693;N#CCC1=NOCC1;SIZIRDGIWXDKIH-UHFFFAOYSA-N;110.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123694;MM123694;C=COC1=NOCC1;TXXQEAALJGJFJB-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123695;MM123695;C=CCC1=NCCN1;FMMXQXHFPFOOCN-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123696;MM123696;C=CCC1=CCCO1;FWBSKKVPHAFPTM-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123697;MM123697;N#CCC1=CCCO1;IVYKSPYGYOJBQX-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123698;MM123698;C=CCC1=COCO1;PVLKZSFJXKYINF-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123699;MM123699;N#CCC1=COCO1;NVZYBGSHWFNSRR-UHFFFAOYSA-N;111.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123700;MM123700;C=CCC1=NOCO1;JKNZZCKWAIHOLQ-UHFFFAOYSA-N;113.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123701;MM123701;N#CCC1=NOCO1;LRXDPTDFGMESFK-UHFFFAOYSA-N;112.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123702;MM123702;C#CCC1=CCCC1;GVEXXAXWYZBNQV-UHFFFAOYSA-N;106.17;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123703;MM123703;C#CCC1=COCC1;FUUWSDSVZVVQBG-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123704;MM123704;C#CCC1=CCNC1;KVGXJGHYRPMNKJ-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123705;MM123705;C#CCC1=CCOC1;JWBHSRDFDFQRAW-UHFFFAOYSA-N;108.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123706;MM123706;C#CCC1=NNCC1;BFQYHXDWKLEDIV-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123707;MM123707;C#CCC1=NOCC1;ORFWRWXPEWSXBF-UHFFFAOYSA-N;109.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123708;MM123708;C#CCC1=NCCN1;HLTISHKKKCJVQM-UHFFFAOYSA-N;108.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123709;MM123709;C#CCC1=CCCO1;PQPNJYKCYIJPAC-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123710;MM123710;C#CCC1=COCO1;DLTDUXPVYVRNLT-UHFFFAOYSA-N;110.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123711;MM123711;C#CCC1=NOCO1;QEVIKUNQZURMBF-UHFFFAOYSA-N;111.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123712;MM123712;CC=CC1=CCCC1;UNVIKEGMBXZASW-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123713;MM123713;NN=CC1=CCCC1;OWHWVPCTDFXTON-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123714;MM123714;CC=CC1=COCC1;HBZVSAIDIVZENS-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123715;MM123715;NN=CC1=COCC1;TYDRAEJGVVIWDY-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123716;MM123716;CC=CC1=CCNC1;CKAACVICHDULQM-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123717;MM123717;NN=CC1=CCNC1;XWJQSZHFCMQQTJ-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123718;MM123718;ON=CC1=CCNC1;GWTIDRWOUSEQCU-UHFFFAOYSA-N;112.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123719;MM123719;CC=CC1=CCOC1;RRXWUDKPQGXJLT-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123720;MM123720;NN=CC1=CCOC1;CCXISBCJGRKZCT-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123721;MM123721;CC=CC1=NNCC1;MICGFXPYTHSRCV-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123722;MM123722;CC=CC1=NOCC1;OCWWBKGUCHLVKS-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123723;MM123723;CC1NNC(=O)C1C;GIDWZCYCGQTFLM-UHFFFAOYSA-N;114.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123724;MM123724;CC=CC1=NCCN1;FRPXCVVDHUMAFC-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123725;MM123725;CC=CC1=CCCO1;NEIOGOHUYRVSMN-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123726;MM123726;CC=CC1=COCO1;CEFABTCBTQPGTJ-UHFFFAOYSA-N;112.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123727;MM123727;CC#CC1=CCCC1;NCZMDAAGXKHGLV-UHFFFAOYSA-N;106.17;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123728;MM123728;CC#CC1=COCC1;AJXQJISFPDHJKQ-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123729;MM123729;CC#CC1=CCNC1;BJSBUOSLAHRNSM-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123730;MM123730;CC#CC1=CCOC1;IWGMNVSPFILTCO-UHFFFAOYSA-N;108.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123731;MM123731;CC#CC1=NNCC1;HDPYDXGGUHUKGF-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123732;MM123732;CC#CC1=NOCC1;QGDBOGRSSLQKCZ-UHFFFAOYSA-N;109.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123733;MM123733;CC#CC1=NCCN1;PGMFNLWJORZPIM-UHFFFAOYSA-N;108.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123734;MM123734;CC#CC1=CCCO1;FQAMMXMDMGQHSQ-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123735;MM123735;CC#CC1=COCO1;RRUQVBBSIPOQQM-UHFFFAOYSA-N;110.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123736;MM123736;CC#CC1=NOCO1;ARCHLWPJVYBYCY-UHFFFAOYSA-N;111.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123737;MM123737;CCCC1=CC=CC1;RZPAXISDLOEXPI-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123738;MM123738;NCCC1=CC=CC1;JXZQQXWVNBHEHV-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123739;MM123739;OCCC1=CC=CC1;MRILXPBRLYBPDT-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123740;MM123740;CNCC1=CC=CC1;RIDBBPDTFFVDQF-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123741;MM123741;CCOC1=CC=CC1;BZCZWKCIMPNSDJ-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123742;MM123742;CCCC1=NN=CC1;TWYXUDHTKRGGIJ-UHFFFAOYSA-N;110.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123743;MM123743;NCCC1=NN=CC1;CEUFPQAXVLARDX-UHFFFAOYSA-N;111.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123744;MM123744;CCCc1ccc[nH]1;BPPNDUBGLQQQBY-UHFFFAOYSA-N;109.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123745;MM123745;NCCc1ccc[nH]1;IAZZNTYMXXEHHT-UHFFFAOYSA-N;110.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123746;MM123746;CNCc1ccc[nH]1;NOARPNKCSMTOJD-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123747;MM123747;N#CCc1ncc[nH]1;BOIZRKNKILSBTB-UHFFFAOYSA-N;107.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123748;MM123748;NCCc1c[nH]cn1;NTYJJOPFIAHURM-UHFFFAOYSA-N;111.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123749;MM123749;C#CCNNC=NO;UQEJFBSXLOYJPF-UHFFFAOYSA-N;113.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123750;MM123750;N=CNC(=O)C1CN1;SLKFDLUUTOHASG-UHFFFAOYSA-N;113.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123751;MM123751;NCCc1cc[nH]n1;JXDFEQONERDKSS-UHFFFAOYSA-N;111.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123752;MM123752;CCCc1cnn[nH]1;HECJQIPEEHNWCS-UHFFFAOYSA-N;111.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123753;MM123753;NCCc1cnn[nH]1;AABPWPFQPIDMQQ-UHFFFAOYSA-N;112.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123754;MM123754;NCCc1ncc[nH]1;DEURIUYJZZLADZ-UHFFFAOYSA-N;111.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123755;MM123755;CCCc1nc[nH]n1;ZFWJVKLPEZPKNL-UHFFFAOYSA-N;111.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123756;MM123756;NCCc1nc[nH]n1;GQJKIUVXXQXJFO-UHFFFAOYSA-N;112.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123757;MM123757;C=C(C)N=CNC(N)=O;UOOMYDGSMYXCLC-UHFFFAOYSA-N;127.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123758;MM123758;C=C(C)OC(CF)=NO;KNTQGBORNIROCA-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123759;MM123759;CCCc1ccco1;CPLJMYOQYRCCBY-UHFFFAOYSA-N;110.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123760;MM123760;NCCc1ccco1;ZQSLNSHMUQXSQJ-UHFFFAOYSA-N;111.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123761;MM123761;CCNc1ccco1;YNILDRGPFGMCDE-UHFFFAOYSA-N;111.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123762;MM123762;CCCc1cnco1;VZGYSIMBMPYSMO-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123763;MM123763;NCCc1cnco1;UQXAPRPAMDXKLV-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123764;MM123764;CCCc1ccno1;PNNXWLUOVAWZHG-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123765;MM123765;NCCc1ccno1;QERJFBGPSMQXGL-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123766;MM123766;CCCc1cnno1;GQFLSMJOHUQIRW-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123767;MM123767;NCCc1cnno1;CBBWVVMSZPNPHL-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123768;MM123768;CCCc1ncco1;QPSZFMZMNPAQPH-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123769;MM123769;NCCc1ncco1;YENDQEKGPZVDJN-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123770;MM123770;CCCc1nnco1;BFSHXTRKRLOBPR-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123771;MM123771;NCCc1nnco1;HGEBGWWBFSKRIP-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123772;MM123772;CCCc1ncno1;RCGYSCCIWXTEND-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123773;MM123773;CCCc1nnno1;UVPIEVAKKGSWJN-UHFFFAOYSA-N;113.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123774;MM123774;C=CCC1=CC=CC1;DKIUYAAMKFJPGB-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123775;MM123775;O=CCC1=CC=CC1;YCJXUJUVCWESOW-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123776;MM123776;N#CCC1=CC=CC1;WEDJGHJHFXFSGL-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123777;MM123777;N=CNC1=CC=CC1;ITPVPPDRNDJVRZ-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123778;MM123778;C=COC1=CC=CC1;LGXCZZHYASHVCL-UHFFFAOYSA-N;108.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123779;MM123779;C=CCC1=NN=CC1;PBPIVNUYKBQUDI-UHFFFAOYSA-N;108.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123780;MM123780;O=CCC1=NN=CC1;GKHLETMLJPAOKW-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123781;MM123781;N#CCC1=NN=CC1;RXRWRZWRYHEPDD-UHFFFAOYSA-N;107.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123782;MM123782;CCCC(=N)NC(N)=O;KKQHMWAIAILQGD-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123783;MM123783;C=COC1=NN=CC1;OSSIGMFJDPPXEW-UHFFFAOYSA-N;110.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123784;MM123784;C=CCCCC(C)=NO;PENSONVLXBZDFM-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123785;MM123785;C=CCc1ccc[nH]1;DCSJOYUSHGVMFL-UHFFFAOYSA-N;107.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123786;MM123786;O=CCc1ccc[nH]1;QLBQKOZGEQIYDF-UHFFFAOYSA-N;109.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123787;MM123787;N#CCc1ccc[nH]1;MKVATVUOVMCHJJ-UHFFFAOYSA-N;106.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123788;MM123788;N=CNc1ccc[nH]1;KBUWTVDOODTWRY-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123789;MM123789;C=COc1ccc[nH]1;AMIVJJZALDCXBK-UHFFFAOYSA-N;109.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123790;MM123790;C=C(C=CC=NO)CC;DDFCVWYRCLOQNK-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123791;MM123791;C=C(C=NO)C(=C)CC;RAPUNJGDHRZVAF-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123792;MM123792;CC#CC(C#N)C1CN1;NBLCVUHLSYENMK-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123793;MM123793;CN(N)C(=NO)C(C)(C)C;MBQCOTGDUYYWEZ-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123794;MM123794;N#CCc1cc[nH]n1;IGBOXGVHHSLXPE-UHFFFAOYSA-N;107.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123795;MM123795;CCCCC(=N)NC(N)=O;NDUMOCOGZRQBSQ-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123796;MM123796;C=CCc1cnn[nH]1;ATQVLILIUKMVAG-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123797;MM123797;C=C(CO)N=CNC(N)=O;NGQTXVZSOJTVQN-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123798;MM123798;C=CCc1nc[nH]n1;CNWPGPNPRZOAMU-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123799;MM123799;O=CCc1nc[nH]n1;RMHYRFRMOASNIS-UHFFFAOYSA-N;111.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123800;MM123800;C=C(C#N)NC(=O)NNC;OEYTYRIBRLQKOJ-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123801;MM123801;C=Cc1cc(=O)n(O)cn1;WAWDQJNJORIUTJ-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123802;MM123802;C=C(C#N)CC(CF)=NO;ZODIEVKOWDQQAN-UHFFFAOYSA-N;142.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123803;MM123803;C=CCc1ccco1;ZNCOUMAUNDVFCZ-UHFFFAOYSA-N;108.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123804;MM123804;O=CCc1ccco1;LNKQTTQZURKWDO-UHFFFAOYSA-N;110.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123805;MM123805;N#CCc1ccco1;XAQZDZHAWDJHJF-UHFFFAOYSA-N;107.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123806;MM123806;N=CNc1ccco1;RNMXFMMCEGSQNF-UHFFFAOYSA-N;110.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123807;MM123807;C=CCc1cnco1;BLTXUCZRIHEWIG-UHFFFAOYSA-N;109.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123808;MM123808;O=CCc1cnco1;KVHFUTZFNQNZQT-UHFFFAOYSA-N;111.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123809;MM123809;N#CCc1cnco1;XUDWLFWTSOMCNP-UHFFFAOYSA-N;108.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123810;MM123810;C=CCc1ccno1;KUFVOVIHUQRQNF-UHFFFAOYSA-N;109.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123811;MM123811;O=CCc1ccno1;VYPVSJOUWMBTJP-UHFFFAOYSA-N;111.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123812;MM123812;N#CCc1ccno1;BPWRJQAETMUBEX-UHFFFAOYSA-N;108.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123813;MM123813;C=CCc1cnno1;WMMKDOYBJNEEGF-UHFFFAOYSA-N;110.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123814;MM123814;N#CCc1cnno1;YOQXDTFCGDARHT-UHFFFAOYSA-N;109.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123815;MM123815;C=CCc1ncco1;DXWCAEJVXPBBJC-UHFFFAOYSA-N;109.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123816;MM123816;N#CCc1ncco1;GBVNLARDRLKRNJ-UHFFFAOYSA-N;108.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123817;MM123817;C=CCc1nnco1;ODXIKQNOEVNJHV-UHFFFAOYSA-N;110.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123818;MM123818;N#CCc1nnco1;XUKFJTYXIONLBK-UHFFFAOYSA-N;109.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123819;MM123819;C=CCc1ncno1;BQXPHFKLICGCHL-UHFFFAOYSA-N;110.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123820;MM123820;N#CCc1ncno1;YJXXJCPHVNBBJP-UHFFFAOYSA-N;109.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123821;MM123821;C=CCc1nnno1;PFYZBHWHMGFFKN-UHFFFAOYSA-N;111.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123822;MM123822;N#CCc1nnno1;XSOFBQQYWFOIQK-UHFFFAOYSA-N;110.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123823;MM123823;C#CCC1=CC=CC1;ZAWPXDKKPYLBEI-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123824;MM123824;C#CCC1=NN=CC1;SHBKALDABKHRRQ-UHFFFAOYSA-N;106.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123825;MM123825;C#CCc1ccc[nH]1;PQKFEMLWEIXJNY-UHFFFAOYSA-N;105.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123826;MM123826;C=COC(=C)NC(C)=NO;JVVLIPVWCRNBJJ-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123827;MM123827;CC(=NC(=N)CO)NC=O;AAKAQWSCLBZTNW-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123828;MM123828;C#CCc1cnn[nH]1;FPHXGGZCVCXPGT-UHFFFAOYSA-N;107.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123829;MM123829;C=CN=C(C)NC(=O)C=C;OKUGTUWEAIKVLJ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123830;MM123830;C#CCc1nc[nH]n1;KPBCSSKYEXYVFM-UHFFFAOYSA-N;107.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123831;MM123831;C=CC(F)(F)C(O)C=NO;JRAHKPVOQWHURL-UHFFFAOYSA-N;151.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123832;MM123832;C#CCc1ccco1;VLTIXAVFHVZCFI-UHFFFAOYSA-N;106.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123833;MM123833;C#CCc1cnco1;ORTMECQODATQBA-UHFFFAOYSA-N;107.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123834;MM123834;C#CCc1ccno1;JJNJBKVWMXYRIM-UHFFFAOYSA-N;107.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123835;MM123835;C#CCc1cnno1;FSMDRIKIDQJVKZ-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123836;MM123836;C#CCc1ncco1;QDLNXNMSEZZSFF-UHFFFAOYSA-N;107.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123837;MM123837;C#CCc1nnco1;OEGRERJLHOOPEW-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123838;MM123838;C#CCc1ncno1;ZOZRVLXMAYEOHR-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123839;MM123839;C#CCc1nnno1;YAYVUUPHVAMZOV-UHFFFAOYSA-N;109.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123840;MM123840;CC=CC1=CC=CC1;HMDSXECDIINLQM-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123841;MM123841;NC(=O)NC(=O)C(N)CO;CFWLIXZJTRIOCL-UHFFFAOYSA-N;147.13;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123842;MM123842;CC=CC1=NN=CC1;ONFRKBNNEXILQY-UHFFFAOYSA-N;108.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123843;MM123843;NC=CC1=NN=CC1;DRYQZCBFHUQNBD-UHFFFAOYSA-N;109.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123844;MM123844;NN=CC1=NN=CC1;CQUMMRPVWVWUPP-UHFFFAOYSA-N;110.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123845;MM123845;CC=Cc1ccc[nH]1;VUKFTDWIJJXHIX-UHFFFAOYSA-N;107.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123846;MM123846;CC(C)=CC(=NO)C(C)C;UJVFPLKZVSSCJP-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123847;MM123847;COC=CN=CNC(N)=O;RJFGUPYREDUEKP-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123848;MM123848;CNNC(=O)C=NNC=O;UMXKZCYOMNDOQD-UHFFFAOYSA-N;144.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123849;MM123849;C=CCN(C=NC)C=NO;NJWMRHVEPOPBPY-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123850;MM123850;CC=Cc1cn(O)c(C)n1;YYGISOZGTWQHIV-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123851;MM123851;CC=Cc1cnn[nH]1;YCIRSCROEZYOOM-UHFFFAOYSA-N;109.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123852;MM123852;C=NOCC(O)(C=O)CO;LGYUMPCSBHUELE-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123853;MM123853;CC=Cc1nc[nH]n1;GDBJNWXINNUIFL-UHFFFAOYSA-N;109.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123854;MM123854;NN=Cc1nc[nH]n1;QMVHIDNQSURAJT-UHFFFAOYSA-N;111.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123855;MM123855;C#Cc1[nH]nc(O)c1C;PTULTJDCJDAIGN-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123856;MM123856;CC=Cc1ccco1;IGWQTPINFQSICW-UHFFFAOYSA-N;108.14;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123857;MM123857;NN=Cc1ccco1;KORIGDPDWZZQCO-UHFFFAOYSA-N;110.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123858;MM123858;CC=Cc1cnco1;HIADDRJDIIBQMJ-UHFFFAOYSA-N;109.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123859;MM123859;CC=Cc1ccno1;ZZXAZUPHEDIDMX-UHFFFAOYSA-N;109.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123860;MM123860;CC=Cc1cnno1;WOWPNFXGADULCP-UHFFFAOYSA-N;110.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123861;MM123861;CC=Cc1ncco1;GVHIJEZGYZPHLM-UHFFFAOYSA-N;109.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123862;MM123862;CC=Cc1nnco1;RPCWYZLLUDJPKI-UHFFFAOYSA-N;110.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123863;MM123863;CC=Cc1ncno1;IFBGFIYBTDGQTR-UHFFFAOYSA-N;110.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123864;MM123864;CC=Cc1nnno1;NPHIDWDAXRWHBW-UHFFFAOYSA-N;111.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123865;MM123865;CC#CC1=CC=CC1;ZZRZSHSIZPAYNY-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123866;MM123866;CC#CC1=NN=CC1;PUJYTFPUZMVDAR-UHFFFAOYSA-N;106.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123867;MM123867;CC#Cc1ccc[nH]1;VHYAHIAGQBETBU-UHFFFAOYSA-N;105.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123868;MM123868;CC(=NO)NCC(F)C=O;UOCHHRLFMXQESL-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123869;MM123869;C=CC(CCC(C)O)=NO;GCBCVQQHQOWOIU-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123870;MM123870;C=CC(N)C(=O)ONC=O;TYVNWGYPEHVLIK-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123871;MM123871;CC#Cc1nc[nH]n1;CIFWXMPVOOXXJL-UHFFFAOYSA-N;107.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123872;MM123872;Nn1c(F)cn(O)c1=O;RFBBDLHAYUZDJS-UHFFFAOYSA-N;133.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123873;MM123873;CC#Cc1ccco1;YZTHSRMPZYVVFA-UHFFFAOYSA-N;106.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123874;MM123874;CC#Cc1cnco1;JRWRICWSQMQHMC-UHFFFAOYSA-N;107.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123875;MM123875;CC#Cc1ccno1;WVTDNPPMIZXHLQ-UHFFFAOYSA-N;107.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123876;MM123876;CC#Cc1cnno1;NTNBHQKQNNISQW-UHFFFAOYSA-N;108.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123877;MM123877;CC#Cc1ncco1;IEUDGAGIHOGSKE-UHFFFAOYSA-N;107.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123878;MM123878;CC#Cc1nnco1;PZAFMDCVNKGYTO-UHFFFAOYSA-N;108.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123879;MM123879;CC#Cc1ncno1;IRCMWECKKZWODS-UHFFFAOYSA-N;108.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123880;MM123880;CC#Cc1nnno1;IJLXZVLGPOJHEZ-UHFFFAOYSA-N;109.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123881;MM123881;CCCC1=CCC=C1;DFODTWUFWMTZID-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123882;MM123882;NCCC1=CCC=C1;KKAJBQKMTILKFB-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123883;MM123883;OCCC1=CCC=C1;CSIBOTWPWDJZLQ-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123884;MM123884;CNCC1=CCC=C1;YRBFSWYZOASJNC-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123885;MM123885;CCOC1=CCC=C1;JTHIHTQUPXBADS-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123886;MM123886;CCCc1cc[nH]c1;FAOPZUAEZGKQNC-UHFFFAOYSA-N;109.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123887;MM123887;NCCc1cc[nH]c1;ZBJSHMBQYSDTGK-UHFFFAOYSA-N;110.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123888;MM123888;OCCc1cc[nH]c1;LHDAMAKAICZPOS-UHFFFAOYSA-N;111.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123889;MM123889;CNCc1cc[nH]c1;YIXUDGZAASWAEI-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123890;MM123890;C#CC(=C)C=CNC=NO;YUBRWXPVGCMDJK-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123891;MM123891;CCOc1cc[nH]c1;KEAYXGHOGPUYPB-UHFFFAOYSA-N;111.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123892;MM123892;CCCc1ccoc1;KEWDQLOCPSUFML-UHFFFAOYSA-N;110.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123893;MM123893;NCCc1ccoc1;HQFMZQJGVKVYHK-UHFFFAOYSA-N;111.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123894;MM123894;OCCc1ccoc1;XXBVEGKVQYREKW-UHFFFAOYSA-N;112.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123895;MM123895;CNCc1ccoc1;YDXZHRKIFGGQDE-UHFFFAOYSA-N;111.14;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123896;MM123896;CCNc1ccoc1;PPDGOZFXOFOQAL-UHFFFAOYSA-N;111.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123897;MM123897;N#CCNC(=NO)NC=O;JTKYVCNMHAKYSD-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123898;MM123898;NCCc1cn[nH]c1;FUIJRCNCJHRODM-UHFFFAOYSA-N;111.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123899;MM123899;CC(O)C(C#N)N=CNO;HILRSEAZXIEACZ-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123900;MM123900;CNCc1cn[nH]c1;NJHKMGYIXSECKA-UHFFFAOYSA-N;111.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123901;MM123901;N#CC(=NNC=O)C(=N)N;UZODZCHZLOSOJL-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123902;MM123902;CCCc1cnoc1;BGQVYSZRIYEHFK-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123903;MM123903;NCCc1cnoc1;RQHDCARIPQMUKF-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123904;MM123904;CC=C(CO)C(=N)NC=O;BAZGLTMFTJBIGO-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123905;MM123905;CCCc1ccon1;AYTLPTRYSGTHNV-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123906;MM123906;NCCc1ccon1;GJHDTCHKZVZFHR-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123907;MM123907;CCCc1c[nH]nn1;HECJQIPEEHNWCS-UHFFFAOYSA-N;111.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123908;MM123908;NCCc1c[nH]nn1;AABPWPFQPIDMQQ-UHFFFAOYSA-N;112.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123909;MM123909;CCCc1cnon1;UCQOZZPVGXWXNX-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123910;MM123910;NCCc1cnon1;NSZDHSBNYMVSCY-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123911;MM123911;CCCc1cocn1;KXNBJIMFMYZHQS-UHFFFAOYSA-N;111.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123912;MM123912;NCCc1cocn1;RWIPJFQIYWOQKH-UHFFFAOYSA-N;112.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123913;MM123913;C#CC(C#N)C1C(C)N1C;JRJBCPWPVPSRNP-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123914;MM123914;CCCc1conn1;RUTXQXPVSKGUCH-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123915;MM123915;NCCc1conn1;ADXIVYFBWAWKTC-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123916;MM123916;CCCc1ncon1;VFPPJWXHNMALKG-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123917;MM123917;NCCc1ncon1;HUSLEZCKWCUICB-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123918;MM123918;N=c1cnc(=O)[nH]c(N)n1;DTAPMEZRNCUCCH-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123919;MM123919;CCCc1nnon1;MKTQWFDGAZHMAM-UHFFFAOYSA-N;113.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123920;MM123920;NCCc1nnon1;WPWFQJIHYFKTFW-UHFFFAOYSA-N;114.11;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123921;MM123921;C=CCC1=CCC=C1;UBGALMSTAMLBLW-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123922;MM123922;O=CCC1=CCC=C1;KEKGBDZSFGVZOY-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123923;MM123923;N#CCC1=CCC=C1;QAVFUTBSEVBJFW-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123924;MM123924;N=CNC1=CCC=C1;VSUUAQJIVUBGQE-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123925;MM123925;C=COC1=CCC=C1;UYIGNMLGRMRPGG-UHFFFAOYSA-N;108.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123926;MM123926;C=CCc1cc[nH]c1;BJUCOMKNIWVOLM-UHFFFAOYSA-N;107.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123927;MM123927;O=CCc1cc[nH]c1;WWDGTICBKIWDPO-UHFFFAOYSA-N;109.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123928;MM123928;N#CCc1cc[nH]c1;OMLJCGFPGZAJQB-UHFFFAOYSA-N;106.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123929;MM123929;N=CNc1cc[nH]c1;OPNRCOODDTUTHW-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123930;MM123930;C=COc1cc[nH]c1;BRDMEYUAZPRMGN-UHFFFAOYSA-N;109.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123931;MM123931;C=CCc1ccoc1;ZMJUHLYFIDYLRE-UHFFFAOYSA-N;108.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123932;MM123932;O=CCc1ccoc1;WEKNDLLCLKQVLG-UHFFFAOYSA-N;110.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123933;MM123933;N#CCc1ccoc1;FPVJSDIYXZPXNR-UHFFFAOYSA-N;107.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123934;MM123934;C=COc1ccoc1;DDHDURVTKBBZNU-UHFFFAOYSA-N;110.11;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123935;MM123935;C=CC(=C)C=NO;CEKJDOGXVAFAAC-UHFFFAOYSA-N;97.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123936;MM123936;C=CN=CNC(N)=O;PDHATFBNVFROGF-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123937;MM123937;C=C1CC(=N)NC1=O;AWGFYZLRANWYDH-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123938;MM123938;CC1=CC(=O)NC1=N;QGRUFBXQJZOGKR-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123939;MM123939;C=CCc1cnoc1;AXNVJBZBVMCFIE-UHFFFAOYSA-N;109.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123940;MM123940;O=CCc1cnoc1;WBDSITLPPUKROM-UHFFFAOYSA-N;111.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123941;MM123941;N#CCc1cnoc1;ZMJZNHYSDJGFMG-UHFFFAOYSA-N;108.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123942;MM123942;N=CNc1cnoc1;JOGGDWUYMIGYGL-UHFFFAOYSA-N;111.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123943;MM123943;C=COc1cnoc1;VGHAWFYGIOEVIZ-UHFFFAOYSA-N;111.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123944;MM123944;C=CN=C1C=CCN1;PBGLQTHAZUGBIZ-UHFFFAOYSA-N;108.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123945;MM123945;C=CCc1ccon1;SDBISMUMEXRDDQ-UHFFFAOYSA-N;109.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123946;MM123946;O=CCc1ccon1;DBKBDWSMTFTWBJ-UHFFFAOYSA-N;111.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123947;MM123947;N#CCc1ccon1;NWDMJTUPXZATTC-UHFFFAOYSA-N;108.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123948;MM123948;C=COc1ccon1;TZASECMBNPBWSK-UHFFFAOYSA-N;111.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123949;MM123949;C=CCc1c[nH]nn1;ATQVLILIUKMVAG-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123950;MM123950;C=CCc1cnon1;RTZUFBLTCIFAIA-UHFFFAOYSA-N;110.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123951;MM123951;O=CCc1cnon1;BGOHAJWITNTLRK-UHFFFAOYSA-N;112.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123952;MM123952;N#CCc1cnon1;FSBLMDOTYBXHDJ-UHFFFAOYSA-N;109.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123953;MM123953;C=CCc1cocn1;ASIAQFNGKCLOOF-UHFFFAOYSA-N;109.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123954;MM123954;O=CCc1cocn1;TXWYYMLWYVWPMH-UHFFFAOYSA-N;111.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123955;MM123955;N#CCc1cocn1;DNNRHZCLOOHTDI-UHFFFAOYSA-N;108.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123956;MM123956;N=CNc1cocn1;YABWKQQTJOEAKQ-UHFFFAOYSA-N;111.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123957;MM123957;C=CCc1conn1;BIUKHPNGGIATNL-UHFFFAOYSA-N;110.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123958;MM123958;O=CCc1conn1;YBJLCBTVHKFQAG-UHFFFAOYSA-N;112.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123959;MM123959;N#CCc1conn1;HCGBKMGBMGQNDG-UHFFFAOYSA-N;109.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123960;MM123960;C=CCc1ncon1;XLZMHGMGCHCLNQ-UHFFFAOYSA-N;110.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123961;MM123961;N#CCc1ncon1;GKNUEJIJYDLYFD-UHFFFAOYSA-N;109.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123962;MM123962;CC1=CC(=N)NC1=O;WUSKEQGFGKPBTI-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123963;MM123963;Cn1nc(CC#N)cc1O;UGYBBPAGRVTNPJ-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123964;MM123964;ON=c1nc(O)ccn1O;WODBEKMFIUOROG-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123965;MM123965;C=CCc1nnon1;UPZSVGWOZOUMDK-UHFFFAOYSA-N;111.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123966;MM123966;N#CCc1nnon1;GPPISGNJZPTERG-UHFFFAOYSA-N;110.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123967;MM123967;C#CCC1=CCC=C1;ZVYSFPIMDXLQIE-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123968;MM123968;C#CCc1cc[nH]c1;DZIFSWXMYDLOEH-UHFFFAOYSA-N;105.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123969;MM123969;C#CCc1ccoc1;UHGNFEMLXRGBGW-UHFFFAOYSA-N;106.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123970;MM123970;C=CC(=NO)NN=C;QUSPJLAZFSRYHP-UHFFFAOYSA-N;113.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123971;MM123971;C#CCc1cnoc1;NMXKHLHBCFUGIU-UHFFFAOYSA-N;107.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123972;MM123972;C#CCc1ccon1;MSNWARYNNCKWEL-UHFFFAOYSA-N;107.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123973;MM123973;C#CCc1c[nH]nn1;FPHXGGZCVCXPGT-UHFFFAOYSA-N;107.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123974;MM123974;C#CCc1cnon1;SFIODIGUULEWBB-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123975;MM123975;C#CCc1cocn1;JUEZYIRZFJEYRS-UHFFFAOYSA-N;107.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123976;MM123976;C#CCc1conn1;GJBRHSBACHSZSH-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123977;MM123977;C#CCc1ncon1;SZFXRKFCUDHKSD-UHFFFAOYSA-N;108.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123978;MM123978;Cn1[nH]n(C)c(=O)c1=O;CJXYYBSOZCCWOU-UHFFFAOYSA-N;129.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123979;MM123979;C#CCc1nnon1;YOEYLXJRHLMWMZ-UHFFFAOYSA-N;109.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123980;MM123980;CC=CC1=CCC=C1;MNVYDZWLJAOSSQ-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123981;MM123981;Cc1ccc(N=O)[nH]1;MDYZIRHKKDQBFH-UHFFFAOYSA-N;110.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123982;MM123982;ON=CC1=CCC=C1;JSAYUWDGNUYYNP-UHFFFAOYSA-N;109.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123983;MM123983;CC=Cc1cc[nH]c1;UYGMPZSLJYVODL-UHFFFAOYSA-N;107.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123984;MM123984;NN=Cc1ncc[nH]1;SWMLRGBHPXGGRE-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123985;MM123985;CC=Cc1ccoc1;SIOVSATXYKIUDQ-UHFFFAOYSA-N;108.14;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123986;MM123986;NN=Cc1ccoc1;JLCALJZTDDWBFW-UHFFFAOYSA-N;110.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123987;MM123987;NN=Cc1cn[nH]c1;GBTODJOGAOCMEI-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123988;MM123988;CC=Cc1cnoc1;JFRCPXROHLXLKM-UHFFFAOYSA-N;109.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123989;MM123989;NN=Cc1cnoc1;WTFTXYRYYSBTAX-UHFFFAOYSA-N;111.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123990;MM123990;CC=Cc1ccon1;LUNOIAGNVGZGNQ-UHFFFAOYSA-N;109.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123991;MM123991;NN=Cc1ccon1;ACITXFLDWQJWER-UHFFFAOYSA-N;111.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123992;MM123992;CC=Cc1c[nH]nn1;YCIRSCROEZYOOM-UHFFFAOYSA-N;109.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123993;MM123993;NN=Cc1c[nH]nn1;WAHZDCXLWUPPJG-UHFFFAOYSA-N;111.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123994;MM123994;CC=Cc1cnon1;QLJUBWWWZKMQPM-UHFFFAOYSA-N;110.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123995;MM123995;CC=Cc1cocn1;OLVNXBAEMCCFQE-UHFFFAOYSA-N;109.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123996;MM123996;NN=Cc1cocn1;MTOXBUCWLRRCNK-UHFFFAOYSA-N;111.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123997;MM123997;CC=Cc1conn1;AMUXXOVXWLTNPS-UHFFFAOYSA-N;110.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123998;MM123998;CC=Cc1ncon1;CEUGGAZLZIONMP-UHFFFAOYSA-N;110.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM123999;MM123999;Nc1cc(O)n(N)n1;ZHOZBOQQEZYQOW-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124000;MM124000;CC=Cc1nnon1;QIMWHRQBALQBJQ-UHFFFAOYSA-N;111.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124001;MM124001;CC#CC1=CCC=C1;JQQXUUWLSNTIPQ-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124002;MM124002;CC#Cc1cc[nH]c1;ZNNAWBANBJYSPV-UHFFFAOYSA-N;105.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124003;MM124003;CC#Cc1ccoc1;STXLENZCMKFJQR-UHFFFAOYSA-N;106.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124004;MM124004;CC=CN=CNC(N)=O;FFPRGYPDYOYXIQ-UHFFFAOYSA-N;127.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124005;MM124005;CC#Cc1cnoc1;SHTVMPGIQLBPJU-UHFFFAOYSA-N;107.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124006;MM124006;CC#Cc1ccon1;UTALHTOTIGSKQZ-UHFFFAOYSA-N;107.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124007;MM124007;CC#Cc1c[nH]nn1;XLWIXMUDJBTENW-UHFFFAOYSA-N;107.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124008;MM124008;CC#Cc1cnon1;WLQAHLBYYCEBDK-UHFFFAOYSA-N;108.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124009;MM124009;CC#Cc1cocn1;UOMSFTWACUCCRQ-UHFFFAOYSA-N;107.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124010;MM124010;CC#Cc1conn1;XBDOFUQIDVEQCC-UHFFFAOYSA-N;108.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124011;MM124011;CC#Cc1ncon1;SSHBJXNHTVNIMT-UHFFFAOYSA-N;108.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124012;MM124012;CNn1c(O)cncc1=O;XAOJWBSZWSIFJB-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124013;MM124013;CC#Cc1nnon1;QJCPHCGZQAXAKC-UHFFFAOYSA-N;109.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124014;MM124014;CCCC1C(C)C1C;HVPVCNXPFYRACB-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124015;MM124015;CC1C(C)C1CCN;ISYOWMATKDEONS-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124016;MM124016;CN(C=N)N=CNC=O;AZFNHVVPUCZTBS-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124017;MM124017;CC1C(C)C1CCF;WNIIURGJIYQBKE-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124018;MM124018;CCCC1C(C)C1N;IEAAUNWDMCZKKI-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124019;MM124019;CC1C(N)C1CCN;BLYPIXFMTWZHLW-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124020;MM124020;CC1C(N)C1CCO;OCKACTPYPXGFGB-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124021;MM124021;CC1C(N)C1CCF;XDRIACILBXQFEQ-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124022;MM124022;C=COc1nc(C)c[nH]1;SUTVERGRFUJFGT-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124023;MM124023;CC1C(O)C1CCN;ULSWLWVXFMFKDU-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124024;MM124024;CC1C(O)C1CCO;OJGOXLILCCXJHZ-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124025;MM124025;CC1C(O)C1CCF;ZJZAKTRDIKMYRP-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124026;MM124026;CCCC1C(C)C1F;PKUWKCLRNUVDHV-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124027;MM124027;CC1C(F)C1CCN;KBCZOCHOZIDZJK-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124028;MM124028;CC1C(F)C1CCO;QZUMUULXVPRSJZ-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124029;MM124029;CC1C(F)C1CCF;QPWDTTMQGFIENU-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124030;MM124030;CCCC1C(N)C1N;OCKNOXTUTMHRMG-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124031;MM124031;NCCC1C(N)C1N;XEAHUUKMEVDRPJ-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124032;MM124032;NC1C(N)C1CCO;YHTBQPXNVOTOSW-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124033;MM124033;NC1C(N)C1CCF;QWOISVDKASNPAV-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124034;MM124034;CCCC1C(N)C1O;PFSPLIZVAUXOIK-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124035;MM124035;NCCC1C(N)C1O;NUDAXODJGYAJJI-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124036;MM124036;NC1C(O)C1CCO;HIHHVPFGQHEXIG-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124037;MM124037;NC1C(O)C1CCF;GXAXUDDWGTWMSU-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124038;MM124038;CCCC1C(N)C1F;QMPJKPGRWRNASQ-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124039;MM124039;NCCC1C(N)C1F;OTPAICFPJNDFQH-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124040;MM124040;NC1C(F)C1CCF;OQMBTNCKBKWURI-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124041;MM124041;CCCC1C(O)C1O;KHNOHTYYAAJWPV-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124042;MM124042;NCCC1C(O)C1O;UUEMZIUHGWYCKQ-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124043;MM124043;OCCC1C(O)C1O;MZDVLCICWUSLQI-UHFFFAOYSA-N;118.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124044;MM124044;OC1C(O)C1CCF;KRMFEBIHXSOERU-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124045;MM124045;CCCC1C(O)C1F;GRSFOYVQEHIOLM-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124046;MM124046;NCCC1C(O)C1F;WLSGOSOXQWAKNX-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124047;MM124047;OCCC1C(O)C1F;CVEKFYKMAXUNFM-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124048;MM124048;OC1C(F)C1CCF;AGQAMSIJSMMEFP-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124049;MM124049;CCCC1C(F)C1F;GCSBSWTWHAKDQA-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124050;MM124050;NCCC1C(F)C1F;HJGCABBBSWACLP-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124051;MM124051;OCCC1C(F)C1F;GYWCURYJBPGNDZ-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124052;MM124052;FCCC1C(F)C1F;MZRAFYPFJJYKOP-UHFFFAOYSA-N;124.11;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124053;MM124053;CNCC1C(C)C1C;UAYCRLPMSKSRHM-UHFFFAOYSA-N;113.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124054;MM124054;CNCC1C(C)C1N;YDRWPZATZBAHGL-UHFFFAOYSA-N;114.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124055;MM124055;CNCC1C(C)C1O;DIDTUSMKCJUGKD-UHFFFAOYSA-N;115.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124056;MM124056;CNCC1C(C)C1F;YBKGEEASYLHEEP-UHFFFAOYSA-N;117.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124057;MM124057;CNCC1C(N)C1N;KHVFOVRIYCHRRH-UHFFFAOYSA-N;115.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124058;MM124058;CNCC1C(N)C1O;HPBOXXZCAYAICJ-UHFFFAOYSA-N;116.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124059;MM124059;CNCC1C(N)C1F;BAGCZRZVPGTQRM-UHFFFAOYSA-N;118.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124060;MM124060;CNCC1C(O)C1O;OGPRUTWWWXESIQ-UHFFFAOYSA-N;117.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124061;MM124061;CNCC1C(O)C1F;BAODIESAMBOMFS-UHFFFAOYSA-N;119.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124062;MM124062;CNCC1C(F)C1F;SIBPWOFATNAPPL-UHFFFAOYSA-N;121.13;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124063;MM124063;COCC1C(C)C1C;GUPSNWYJJFUDRZ-UHFFFAOYSA-N;114.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124064;MM124064;COCC1C(C)C1N;CEKGLWFLXMYHTJ-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124065;MM124065;COCC1C(C)C1O;DVMSFPMHTPNHND-UHFFFAOYSA-N;116.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124066;MM124066;COCC1C(C)C1F;GKCMKRXLZNLGTD-UHFFFAOYSA-N;118.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124067;MM124067;COCC1C(N)C1O;IHBVYLASNDMTQV-UHFFFAOYSA-N;117.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124068;MM124068;COCC1C(N)C1F;FQUUVVVAMCQNBZ-UHFFFAOYSA-N;119.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124069;MM124069;COCC1C(O)C1O;PVNMTOLQVNIZDV-UHFFFAOYSA-N;118.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124070;MM124070;COCC1C(F)C1F;PEBKDDLSTNKJNK-UHFFFAOYSA-N;122.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124071;MM124071;CCNC1C(C)C1C;JQCSVTNURYOCQF-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124072;MM124072;CCNC1C(C)C1N;BTLPCEMDBAZVOW-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124073;MM124073;CCNC1C(C)C1O;MTOLFDQCMNUVOU-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124074;MM124074;CCNC1C(C)C1F;MPRFISJIBABVBZ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124075;MM124075;CCNC1C(N)C1N;UIJZIRZSTIYMHS-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124076;MM124076;CCNC1C(N)C1O;CQUYAHYCRGCBAH-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124077;MM124077;CCNC1C(O)C1O;KEEYOCKDAACZSA-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124078;MM124078;CCOC1C(C)C1C;IREPMVBVRHHAST-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124079;MM124079;CCOC1C(C)C1N;GYMVZEXKZRQOJF-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124080;MM124080;CCOC1C(C)C1O;HSYBRLDDSOFEIP-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124081;MM124081;CCOC1C(C)C1F;RCZRBPROYRUITH-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124082;MM124082;CCOC1C(N)C1N;XAKZNSMKBOYIRG-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124083;MM124083;CCOC1C(N)C1O;URILOTZCLJBARZ-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124084;MM124084;CCOC1C(O)C1O;KASUPGQJIREAOB-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124085;MM124085;CCOC1C(O)C1F;IZAWSFHXCSBFMA-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124086;MM124086;CCOC1C(F)C1F;UIDBISHXPLMHGQ-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124087;MM124087;CC1C(CCN)N1C;RJMKYKBVAFTMKU-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124088;MM124088;CNCC1C(C)N1C;PWKXDKWPLWIUMM-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124089;MM124089;COCC1C(C)N1C;QGLWGYYRUQWIDX-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124090;MM124090;CC1C(C)N1CCN;OQTYMKYKTKJTTK-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124091;MM124091;CC1C(C)N1CCF;TVQCOXPJXMITRH-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124092;MM124092;C=CCC1C(C)C1C;FYXQVZIJFFSNGJ-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124093;MM124093;CC1C(C)C1CC=O;QABGASUVHZPAHF-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124094;MM124094;CC1C(C)C1CC#N;UCGACSJHQYINFW-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124095;MM124095;C=CCC1C(C)C1N;WGHLELDRUUQRIT-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124096;MM124096;C=CC1=NNC(=NC)C1;UEIMISHSAHDHJV-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124097;MM124097;CC1C(O)C1CC=O;YSNKTQLSSYPQEG-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124098;MM124098;CC1C(O)C1CC#N;MIIYTIAGOQQGOW-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124099;MM124099;C=CCC1C(C)C1F;CVVCQNHBHMRULF-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124100;MM124100;CC1C(F)C1CC=O;UQTMDOAQAXWCMX-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124101;MM124101;CC1C(F)C1CC#N;GQLLRAVTGPNDPT-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124102;MM124102;C=CCC1C(N)C1N;GLVPSLJDELBHLF-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124103;MM124103;C=CCC1C(N)C1O;PDBPETJMNMAHTJ-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124104;MM124104;C=CCC1C(N)C1F;IMSQPANUEWZGRC-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124105;MM124105;C=CCC1C(O)C1O;HQPBRNXTSDIVDV-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124106;MM124106;O=CCC1C(O)C1O;UVEWRGOYTFFZFK-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124107;MM124107;N#CCC1C(O)C1O;XJVAUUKAZYONNP-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124108;MM124108;C=CCC1C(O)C1F;JLGZTLBSABSIEQ-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124109;MM124109;O=CCC1C(O)C1F;XZLPQRCRQGAJBS-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124110;MM124110;N#CCC1C(O)C1F;GQRNGNCTFCUTJS-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124111;MM124111;C=CCC1C(F)C1F;JACKATRWAYFEQM-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124112;MM124112;O=CCC1C(F)C1F;OVLAHYAHNCOYII-UHFFFAOYSA-N;120.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124113;MM124113;N#CCC1C(F)C1F;QFIFMEOMYZDGQY-UHFFFAOYSA-N;117.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124114;MM124114;CC1C(C)C1NC=N;YTXFFUBEJDWMDS-UHFFFAOYSA-N;112.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124115;MM124115;C#CC#Cc1ncc[nH]1;SBOQRPKENJOSPS-UHFFFAOYSA-N;116.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124116;MM124116;CC1C(N)C1NC=N;ARSGLPGXTIRMLM-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124117;MM124117;CC1C(N)C1NC=O;VLAWRYPURGNQJS-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124118;MM124118;CC1C(O)C1NC=N;UAZAFOMDQNOESP-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124119;MM124119;CC1C(O)C1NC=O;FDELRMNDJQKEPE-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124120;MM124120;CC1C(F)C1NC=N;SZJFDRUXPRWOMS-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124121;MM124121;CC1C(F)C1NC=O;BWNUFOAFBFMJSP-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124122;MM124122;N=CNC1C(N)C1N;QNFAOFZSPGXRMV-UHFFFAOYSA-N;114.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124123;MM124123;NC1C(N)C1NC=O;RHKAVDDFTBZVSL-UHFFFAOYSA-N;115.14;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124124;MM124124;N=CNC1C(N)C1O;HEIWZPHSEWMJPN-UHFFFAOYSA-N;115.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124125;MM124125;N=CNC1C(N)C1F;QZIBSCPHBUZCGU-UHFFFAOYSA-N;117.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124126;MM124126;N=CNC1C(O)C1O;DNNIKXNTBVBOTH-UHFFFAOYSA-N;116.12;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124127;MM124127;O=CNC1C(O)C1O;HLNVDTJJDUTWAA-UHFFFAOYSA-N;117.1;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124128;MM124128;N=CNC1C(O)C1F;NHSZUUYCENTJLW-UHFFFAOYSA-N;118.11;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124129;MM124129;O=CNC1C(O)C1F;KSPBJXCJRCFFAZ-UHFFFAOYSA-N;119.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124130;MM124130;N=CNC1C(F)C1F;CXHGQUYDYAKLOD-UHFFFAOYSA-N;120.1;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124131;MM124131;O=CNC1C(F)C1F;OBDBYDXLWFRLKA-UHFFFAOYSA-N;121.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124132;MM124132;C=NNC1C(C)C1C;DAGCRCRTLHHSJL-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124133;MM124133;C=NNC1C(C)C1N;HKNDTHPTVPXASZ-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124134;MM124134;C=C(CO)NC(=O)NC=N;DSZDJXCOOJQDIX-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124135;MM124135;C=NNC1C(C)C1F;YFGBHHUDTZIMHN-UHFFFAOYSA-N;116.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124136;MM124136;C=C(C#N)CC(=N)NC=O;HNBUVKNDWJZTLQ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124137;MM124137;C=C(C#N)CC(=O)NC=N;YBSOVZJWMIAKEL-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124138;MM124138;C=COC1C(C)C1C;PYNVZCDASADJPT-UHFFFAOYSA-N;112.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124139;MM124139;CC1C(C)C1OC=O;LJQDYANCLOJOMG-UHFFFAOYSA-N;114.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124140;MM124140;C=COC1C(C)C1N;OYKPRALBIRONCO-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124141;MM124141;CC1C(N)C1OC=O;PGQWZWKTZBWUFX-UHFFFAOYSA-N;115.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124142;MM124142;C=COC1C(C)C1O;RFTZZRXDGVIYMC-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124143;MM124143;CC1C(O)C1OC=O;KVFFHKQSGXCZHD-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124144;MM124144;C=COC1C(C)C1F;CERRGKNXQOLHEH-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124145;MM124145;CC1C(F)C1OC=O;DXVNXVUMRMOUPL-UHFFFAOYSA-N;118.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124146;MM124146;C=COC1C(N)C1N;VPAVNIDBERDKRR-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124147;MM124147;NC1C(N)C1OC=O;IZDMYNQMVFJPEH-UHFFFAOYSA-N;116.12;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124148;MM124148;C=COC1C(N)C1O;YHSYDPXUNLLUSP-UHFFFAOYSA-N;115.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124149;MM124149;C=COC1C(O)C1O;LZECOGPPAMWVSE-UHFFFAOYSA-N;116.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124150;MM124150;O=COC1C(O)C1O;WFVKIUKUWJRTKA-UHFFFAOYSA-N;118.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124151;MM124151;C=COC1C(O)C1F;JYHWAPRFSRKZNR-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124152;MM124152;O=COC1C(O)C1F;MBBSDNSPFMTUPP-UHFFFAOYSA-N;120.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124153;MM124153;C=COC1C(F)C1F;NZDGFKDMXBDGTF-UHFFFAOYSA-N;120.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124154;MM124154;O=COC1C(F)C1F;UJZWTGDBTOGFNJ-UHFFFAOYSA-N;122.07;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124155;MM124155;C=NOC1C(C)C1C;HGQICDMZDAKPDA-UHFFFAOYSA-N;113.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124156;MM124156;C=NOC1C(C)C1N;PKMNUDMCCLPDFW-UHFFFAOYSA-N;114.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124157;MM124157;C#CCC(=N)NC(=O)C=C;UTYNTBOYCIUBST-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124158;MM124158;C=NOC1C(C)C1F;TXQFMJOEWFSZNU-UHFFFAOYSA-N;117.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124159;MM124159;CCN=C(C)NC(=O)CC;PJXYUFNLIZYEPM-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124160;MM124160;CCC(=N)N=C(C)NC=O;BDLGIAURIMXNGQ-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124161;MM124161;C=NOC1C(F)C1F;AXLTYMGTIOTDSX-UHFFFAOYSA-N;121.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124162;MM124162;CNC(N)=CC(=N)NC=O;KNXKPKJNXCGUME-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124163;MM124163;CC1C(CC#N)N1C;CLGCCHIXGLKOKM-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124164;MM124164;NC(=O)NC=NC=CC=O;ICRONRYTQCLQTN-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124165;MM124165;CC1C(C)N1CC#N;YUGWELAIZGFFNW-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124166;MM124166;CC1C(C)N1NC=N;FUZBFCMMVKSTIS-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124167;MM124167;CC1C(C)N1NC=O;ZTSNARNKHYPNPA-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124168;MM124168;C#CCC1C(C)C1C;CRQMUPLHRJFDGJ-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124169;MM124169;C#CCC1C(C)C1N;ZQKICOAAKZYOLW-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124170;MM124170;CCC=CN=CNC(N)=O;OJISRSUTVUKPSU-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124171;MM124171;C#CCC1C(C)C1F;DVHGVXHDSAEMMX-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124172;MM124172;C#CCC1C(N)C1N;AWALKHILYMIXMX-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124173;MM124173;C#CCC1C(N)C1O;WBIQPDSUWBBQLI-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124174;MM124174;C#CCC1C(N)C1F;PRCNHJLFNZDNPP-UHFFFAOYSA-N;113.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124175;MM124175;C#CCC1C(O)C1O;QZNACUOVJBGALS-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124176;MM124176;C#CCC1C(O)C1F;FSHJOKQRTVOGFO-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124177;MM124177;C#CCN1C(C)C1C;AVLYGNRMIKUTPH-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124178;MM124178;CC=CC1C(C)C1C;JDBUBNIRDSWRLZ-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124179;MM124179;CC1C(C)C1C=CF;AHVPNKUTRDOMNQ-UHFFFAOYSA-N;114.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124180;MM124180;CC=CC1C(C)C1N;GJWSPGYEADSCMF-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124181;MM124181;CC1C(N)C1C=CF;NLTWOWNNEMGQAL-UHFFFAOYSA-N;115.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124182;MM124182;C#CC=CN=CNC(N)=O;UJZIUGRHFLIUCS-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124183;MM124183;CC1C(O)C1C=CF;CQQVQFSVGXFJFJ-UHFFFAOYSA-N;116.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124184;MM124184;CC=CC1C(C)C1F;VVURIGJACNSBGT-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124185;MM124185;CC1C(F)C1C=CF;VBARURLZZWXDTQ-UHFFFAOYSA-N;118.13;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124186;MM124186;CC=CC1C(N)C1N;JGUWXRZRWKPQRU-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP3";;;;;;;0.86;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124187;MM124187;NC1C(N)C1C=CF;LGSAJMICUZFWMX-UHFFFAOYSA-N;116.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124188;MM124188;CC=CC1C(N)C1O;SMYPKTKJXQSMIB-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124189;MM124189;NC1C(O)C1C=CF;UZUUCSBLSXHUEB-UHFFFAOYSA-N;117.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124190;MM124190;CC=CC1C(N)C1F;RVHFFSWCTOGITJ-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124191;MM124191;NC1C(F)C1C=CF;XDHNGTUHFKCNLB-UHFFFAOYSA-N;119.11;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124192;MM124192;CC=CC1C(O)C1O;SRXQJUAQRQQJBL-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124193;MM124193;OC1C(O)C1C=CF;UXWFGNHNDORGSI-UHFFFAOYSA-N;118.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124194;MM124194;CC=CC1C(O)C1F;VIEXXBFQHFIWEU-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124195;MM124195;OC1C(F)C1C=CF;CJFDXSCMQCQYHU-UHFFFAOYSA-N;120.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124196;MM124196;CC=CC1C(F)C1F;GVJGJDJHRSDHKG-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124197;MM124197;FC=CC1C(F)C1F;HHSWSQKKGCJDTA-UHFFFAOYSA-N;122.09;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124198;MM124198;CC1C(C)C1C=NN;NMZLBFKZJJPWRA-UHFFFAOYSA-N;112.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124199;MM124199;CC1C(C)C1C=NO;GLYGSRVOQOBHGT-UHFFFAOYSA-N;113.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124200;MM124200;CC1C(N)C1C=NO;FJJUALZFHUTBMQ-UHFFFAOYSA-N;114.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124201;MM124201;N#CCNCC(=O)NC=N;MXUGMOATPYTTOU-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124202;MM124202;CC1C(O)C1C=NO;CBOOJGYPKGXGLH-UHFFFAOYSA-N;115.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124203;MM124203;CC1C(F)C1C=NN;HTIRZGWOBOXMAS-UHFFFAOYSA-N;116.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124204;MM124204;CC1C(F)C1C=NO;KTNGHOJOEOOZHE-UHFFFAOYSA-N;117.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124205;MM124205;NC1C(N)C1C=NO;XFTUXLLIRVBWMS-UHFFFAOYSA-N;115.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124206;MM124206;COC=CNC(=O)NC=N;UFYURDJUGTXWAZ-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124207;MM124207;ON=CC1C(O)C1O;ORROAGBXHAEBOU-UHFFFAOYSA-N;117.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124208;MM124208;CCC(=NO)C(C)=C(C)C;UBCMBFMPOOZEMU-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124209;MM124209;CC=CC1C(C)N1C;DNKJWMKHMAWYGI-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124210;MM124210;CC1C(C=CF)N1C;COLUEFPUIRVWSG-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124211;MM124211;CC1C(C=NN)N1C;CHTPRDIKJBGJRZ-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124212;MM124212;CC1C(C=NO)N1C;ZAOJFQJLCINSOO-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124213;MM124213;CN=CN1C(C)C1C;VVYMRDMLQHKJFI-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124214;MM124214;C=C(C(N)=O)C(=O)NC=N;BPPOQDADQIKJHK-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124215;MM124215;CC=NN1C(C)C1C;YBXFZMMBURDTNA-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124216;MM124216;CC#CC1C(C)C1C;PONWVMASECTNDT-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124217;MM124217;CC#CC1C(C)C1N;LPXUUOVTGOTQNA-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124218;MM124218;CC(N)=C(C)C(=N)NC=O;UPAPQVBHCBRURD-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124219;MM124219;CC#CC1C(C)C1F;BRDBYDXGPQVWCV-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124220;MM124220;CC#CC1C(N)C1N;ZYLDBYYRCMENKI-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124221;MM124221;CC#CC1C(N)C1O;MYRIWKWTYIRWOJ-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124222;MM124222;CC#CC1C(O)C1O;XIDNPYPCTOLBIX-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124223;MM124223;CC#CC1C(O)C1F;RFAOZSKTHAWWRS-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124224;MM124224;CC#CC1C(C)N1C;LSQHGOGTQLIIOA-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124225;MM124225;CCC(C)C1CC1C;GAZDEPNKGKVEIL-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124226;MM124226;CC(CN)C1CC1C;VNBRIODXWXFNPJ-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124227;MM124227;C=CCC(=NC=C)NC=O;MACKLCOMTBQKOA-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124228;MM124228;CC(CF)C1CC1C;QLQSKHXXCHACMU-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124229;MM124229;CCC(N)C1CC1C;LJEXECLDZCJGIE-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124230;MM124230;CC1CC1C(N)CN;MTHDVBPXCIXBDL-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124231;MM124231;CC1CC1C(N)CO;SJBQZLBSOFJPGB-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124232;MM124232;CC1CC1C(N)CF;VFQDROXDUPQUDQ-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124233;MM124233;NC(CCC(=O)CO)=NO;GCDPCWBDJOVNKR-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124234;MM124234;CC1CC1C(O)CN;LHRHXYMONJAXSF-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124235;MM124235;CC1CC1C(O)CO;PGGFZALTLSAMBC-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124236;MM124236;CC1CC1C(O)CF;PQANLWHOXGGAQQ-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124237;MM124237;CCC(F)C1CC1C;DBUWDKUJYNDGRE-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124238;MM124238;CC1CC1C(F)CN;DIZATEOZALWWTC-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124239;MM124239;CC1CC1C(F)CO;GGJAHHNHUUWDRG-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124240;MM124240;CC1CC1C(F)CF;KQAZQCUACJCLPZ-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124241;MM124241;CCC(C)C1CC1N;DCPNXVJIFYHFSZ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124242;MM124242;CC(CN)C1CC1N;LRMRVXHKSCRUIL-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124243;MM124243;CC(CO)C1CC1N;VWBWWPWKQBLRHH-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124244;MM124244;CC(CF)C1CC1N;LSBSFYWUSYRVGI-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124245;MM124245;CCC(N)C1CC1N;KAAFPXCIVFTZMP-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124246;MM124246;NCC(N)C1CC1N;HUUMIGPNIMOOJR-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124247;MM124247;NC(CO)C1CC1N;KWVGNKGFTBOFOK-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124248;MM124248;NC(CF)C1CC1N;NVWCOCBGHJQQJL-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124249;MM124249;CCC(O)C1CC1N;RYVBUWSBLAPFRA-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124250;MM124250;NCC(O)C1CC1N;XTVHYQDTKGFMIV-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124251;MM124251;NC1CC1C(O)CO;VYBZHOOWCLSMIC-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124252;MM124252;NC1CC1C(O)CF;BNDKHPBVDVZEFH-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124253;MM124253;CCC(F)C1CC1N;CQQZKTDTRGFWLY-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124254;MM124254;NCC(F)C1CC1N;GNDWFSRXIBCJBZ-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124255;MM124255;NC1CC1C(F)CO;BUKOAVCPAYCBLC-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124256;MM124256;NC1CC1C(F)CF;YYJTUNLMEPDRHO-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124257;MM124257;NC(CC=CCC=O)=NO;LDOWBXRPNVJJPY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124258;MM124258;CC(CN)C1CC1O;JTHXHUXOBJUVKH-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124259;MM124259;CC(CO)C1CC1O;HXTBHZKLWIQMIB-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124260;MM124260;CC(CF)C1CC1O;MVKNGLVOAJAXLU-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124261;MM124261;CCC(N)C1CC1O;WLUMLJGVBOFFAC-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124262;MM124262;NCC(N)C1CC1O;ARAZBFJCCYNGGH-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124263;MM124263;NC(CO)C1CC1O;WZHVTEALKPOEIN-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124264;MM124264;NC(CF)C1CC1O;ZCFYVRCLKOUIPB-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124265;MM124265;CCC(O)C1CC1O;BTEUETZWRVYYIB-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124266;MM124266;NCC(O)C1CC1O;KXJCCDRKOMRCHH-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124267;MM124267;OCC(O)C1CC1O;TXOJINZTVFKXSM-UHFFFAOYSA-N;118.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124268;MM124268;OC(CF)C1CC1O;FEIIJOWCLLZJAU-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124269;MM124269;CCC(F)C1CC1O;TWNQOSZPLZKYJG-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124270;MM124270;NCC(F)C1CC1O;SOAJPFLBIMHCTP-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124271;MM124271;OCC(F)C1CC1O;VVJWKYQRISSKMP-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124272;MM124272;OC1CC1C(F)CF;FDDICJZYZAMUAO-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124273;MM124273;CCC(C)C1CC1F;OZOMHACOPSDOSZ-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124274;MM124274;CC(CN)C1CC1F;CMQKQEYJIYAWMO-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124275;MM124275;CC(CO)C1CC1F;WAALZQPNLHNAJX-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124276;MM124276;CC(CF)C1CC1F;ACBONFGZLLGGNN-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124277;MM124277;CCC(N)C1CC1F;AOYNINQEWHHIMY-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124278;MM124278;NCC(N)C1CC1F;CNBLVFXFABFGJO-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124279;MM124279;NC(CO)C1CC1F;JZVGJHYYTIAOON-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124280;MM124280;NC(CF)C1CC1F;CJAMIOFRNNPNAU-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124281;MM124281;CCC(O)C1CC1F;XRXQBNJJLGFBPY-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124282;MM124282;NCC(O)C1CC1F;JOBLBOAECKNVMH-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124283;MM124283;OCC(O)C1CC1F;VJLWRQWFVGTTJD-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124284;MM124284;OC(CF)C1CC1F;NXLISCANTWQUIC-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124285;MM124285;CCC(F)C1CC1F;HKSQAIFLNWVVCU-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124286;MM124286;NCC(F)C1CC1F;RXJRLVLPUZXKMH-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124287;MM124287;OCC(F)C1CC1F;YDDHJNCOZALLMV-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124288;MM124288;CNC(C)C1CC1C;VEJNYQMKLLZTIS-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124289;MM124289;CNC(C)C1CC1N;QIUQCVUANWOUFL-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124290;MM124290;CNC(C)C1CC1O;RTDQRKXHRCFAIG-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124291;MM124291;CNC(C)C1CC1F;GIEDYZFBJZMLDY-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124292;MM124292;COC(C)C1CC1C;OHWYICVFWWILCL-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124293;MM124293;COC(C)C1CC1N;QFBLSLRBXWHCAR-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124294;MM124294;COC(C)C1CC1O;OZRZWRLBJUJUOP-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124295;MM124295;COC(C)C1CC1F;QAMRDLNSHRJZSR-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124296;MM124296;CCN(C)C1CC1C;XCSLQKHMJLEBPE-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124297;MM124297;CCN(C)C1CC1N;OAXDNNSRYOZBCX-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124298;MM124298;CCN(C)C1CC1O;XTGDPZCOVYEDTN-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124299;MM124299;CC(CN)C1NC1C;CVXOVDHRMAFRGH-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124300;MM124300;CCC(N)C1NC1C;LWRCSJVXSZTSSU-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124301;MM124301;CC1NC1C(N)CN;SNJIVOTYXQCSAJ-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124302;MM124302;CC1NC1C(N)CO;QDVABWLNTGRCER-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124303;MM124303;CC1NC1C(O)CN;LKIYLFIYLCRILX-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124304;MM124304;CCC(F)C1NC1C;LRSQFMYMGGDLNK-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124305;MM124305;CC1NC1C(F)CN;MASRXWIVDOMRHE-UHFFFAOYSA-N;118.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124306;MM124306;NN=CNC(=NO)NC=O;JGMHCMCUYSRSHJ-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124307;MM124307;CC1NC1C(F)CF;TXNJEPVBSYSSOO-UHFFFAOYSA-N;121.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124308;MM124308;CNC(C)C1NC1C;GTOXAPZGUUFAGZ-UHFFFAOYSA-N;114.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124309;MM124309;CCC(C)C1OC1C;DLIXVNZBDSURMJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124310;MM124310;CC(CN)C1OC1C;KOQSMGMEQLHVIM-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124311;MM124311;CC(CO)C1OC1C;PHRZVVHNGYNSSQ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124312;MM124312;CC(CF)C1OC1C;OATAMTRONOFHFG-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124313;MM124313;CCC(N)C1OC1C;RZTPKLWKWICHRZ-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124314;MM124314;CC1OC1C(N)CN;JEGZMPPKOHTXNS-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124315;MM124315;CC1OC1C(N)CO;GEWUAQZYBIAKDE-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124316;MM124316;CC1OC1C(N)CF;HJBMQXRMXGVORH-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124317;MM124317;CCC(O)C1OC1C;MADOEHZKQDEEDD-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124318;MM124318;CC1OC1C(O)CN;GPBPSDYLJAHEHO-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124319;MM124319;CC1OC1C(O)CO;PSMQHNYHVYDBFG-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124320;MM124320;CC1OC1C(O)CF;FIUXOTNZZYDKIP-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124321;MM124321;CCC(F)C1OC1C;OHQREXFUQOKCGT-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124322;MM124322;CC1OC1C(F)CN;ICQQHJRYLUKDAK-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124323;MM124323;CC1OC1C(F)CO;OWWPWNLAUYSEBU-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124324;MM124324;CNC(C)C1OC1C;WUNIGACBAOYILG-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124325;MM124325;COC(C)C1OC1C;APBCSPGDOXIPKV-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124326;MM124326;CC(CN)C1CN1C;HJHXGGPENRWTBL-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124327;MM124327;CCC(N)C1CN1C;WOZXRKVVJOFSFN-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124328;MM124328;CN1CC1C(N)CN;YISSLNLZRTVIAP-UHFFFAOYSA-N;115.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124329;MM124329;CN1CC1C(N)CO;RRKHCEGLCAZSLT-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124330;MM124330;C=CC(CCCOC)=NO;JHHZAVXSQDYBOW-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124331;MM124331;CN1CC1C(O)CN;AJXKDPQQIPUKKT-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124332;MM124332;C#CC1(C(=O)NC=N)CC1;ZHQNSGRDGUSJKY-UHFFFAOYSA-N;136.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124333;MM124333;C#CCc1cnc(CO)[nH]1;BRHVURUUYSRTRJ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124334;MM124334;CCC(F)C1CN1C;HVZYHNKVVSUVAY-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124335;MM124335;CN1CC1C(F)CN;XXLAHGFPZYFOST-UHFFFAOYSA-N;118.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124336;MM124336;CC=Cc1cnc(CO)[nH]1;ORUVNTGVQWPTGV-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124337;MM124337;CN1CC1C(F)CF;SLRQBZKHTUAKJF-UHFFFAOYSA-N;121.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124338;MM124338;CNC(C)C1CN1C;ICOUKNVFJWAFQR-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124339;MM124339;COC(C)C1CN1C;MMZWXADWDJQXMS-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124340;MM124340;CC(CN)N1CC1C;MQHKEQRZBQDPEE-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124341;MM124341;CC(CF)N1CC1C;ARPKKISPMNTIFK-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124342;MM124342;C=CC(C)C1CC1C;PXTGPUQOIQKERE-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124343;MM124343;CC(C=O)C1CC1C;WVZNTJKHAVCXBS-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124344;MM124344;CC(C#N)C1CC1C;PAIKXHPIJVBOJN-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124345;MM124345;C=CC(N)C1CC1C;HSJWTBXSDHMHCQ-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124346;MM124346;CC1C(N2CC2)C1(O)C#N;LDKYFLQHZKVYRQ-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124347;MM124347;CC1CC1C(O)C=O;IMGIRHAEHDMEJR-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124348;MM124348;CC1CC1C(O)C#N;KKHYMELDNUUACB-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124349;MM124349;C=CC(F)C1CC1C;RSFAMYRQQHWMBP-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124350;MM124350;CC1CC1C(F)C=O;IAFDSHWYUXDCEE-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124351;MM124351;CC1CC1C(F)C#N;YQJMKUDFZPLURI-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124352;MM124352;C=CC(C)C1CC1N;RLXKQXPGRRDXKP-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124353;MM124353;C=CC(N)C1CC1N;RUVPFSHBHAGSHN-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124354;MM124354;C=CC(O)C1CC1N;CABKIEPEAXOQIZ-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124355;MM124355;C=CC(F)C1CC1N;HNQOCAAVDXGKCP-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124356;MM124356;C#CC(C#N)C1NC1CC;USRVHSNOMSWBQN-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124357;MM124357;CC(C=O)C1CC1O;JQSUJCLQGMFXJL-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124358;MM124358;CC(C#N)C1CC1O;NRLRUYUDQFVZAZ-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124359;MM124359;C=CC(N)C1CC1O;FAWLFHKUMSTIOS-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124360;MM124360;C=CC(O)C1CC1O;CNERHFVGMNQCQF-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124361;MM124361;O=CC(O)C1CC1O;CXHHCRHRESGJOM-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124362;MM124362;N#CC(O)C1CC1O;JPPZSUODDQFXBO-UHFFFAOYSA-N;113.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124363;MM124363;C=CC(F)C1CC1O;ADJDFIIOBAXFRZ-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124364;MM124364;O=CC(F)C1CC1O;LRDJZYZZVZAZOP-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124365;MM124365;C=CC(C)C1CC1F;VTVUFKJOAKZMPL-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124366;MM124366;CC(C=O)C1CC1F;YSDRAJVMWCNYJQ-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124367;MM124367;CC(C#N)C1CC1F;UTVPNPPMFJKPDY-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124368;MM124368;C=CC(N)C1CC1F;YCSFPRVZNGQBNF-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124369;MM124369;C=CC(O)C1CC1F;PAPUSWGCHVYHPO-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124370;MM124370;O=CC(O)C1CC1F;VUFPIOVLGSUODF-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124371;MM124371;N#CC(O)C1CC1F;UTTBMXKADCXRRY-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124372;MM124372;C=CC(F)C1CC1F;AIQMGORJDZCWCR-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124373;MM124373;N#CC(F)C1CC1F;KTPFUDSAPOAKPO-UHFFFAOYSA-N;117.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124374;MM124374;CC1CC1N(C)C=N;QWHOYHSSZHWXQP-UHFFFAOYSA-N;112.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124375;MM124375;CC1CC1N(C)C=O;MPYCUAYAIRRGLX-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124376;MM124376;CC1CC1N(N)C=N;MNCRFPAAPABMNQ-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124377;MM124377;CC1CC1N(N)C=O;NBXZWYRTJGJKTF-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124378;MM124378;CN(C=N)C1CC1N;QZPRXDFJZVMQPM-UHFFFAOYSA-N;113.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124379;MM124379;CN(C=O)C1CC1N;IKHFPJUAHUXIIS-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124380;MM124380;CN(C=N)C1CC1O;HBGABERUNXVENH-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124381;MM124381;CN(C=O)C1CC1O;FAJJVMPXUZFVDK-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124382;MM124382;N=CN(N)C1CC1O;QKCMJMUILRWNLI-UHFFFAOYSA-N;115.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124383;MM124383;N#CC1CC1C(=O)NC=N;QQFQGAPCERWBLP-UHFFFAOYSA-N;137.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124384;MM124384;CN(C=N)C1CC1F;SVABQSBCVFVNEK-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124385;MM124385;CN(C=O)C1CC1F;UFEUWYNKMCWTLR-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124386;MM124386;N=CN(N)C1CC1F;KAHQPAWPEMTRKI-UHFFFAOYSA-N;117.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124387;MM124387;NN(C=O)C1CC1F;RXEXCUCWZFPZTG-UHFFFAOYSA-N;118.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124388;MM124388;C=NN(C)C1CC1C;VZSUKCDAKNHLQL-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124389;MM124389;C=NN(C)C1CC1N;SWBQPNMALFYRGS-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124390;MM124390;OCC1CCC(=NO)NC1;UYVCEBIHLNIOLR-UHFFFAOYSA-N;144.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124391;MM124391;C=NN(C)C1CC1F;NBGAXQMIZQJQNI-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124392;MM124392;CC(C#N)C1NC1C;JHGUYIZGFYSBFB-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124393;MM124393;C=CC(N)C1NC1C;OLAVJDXOKBBOHC-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124394;MM124394;N=C1CCC(=O)N1;WAAFTRBGRCYSFD-UHFFFAOYSA-N;98.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124395;MM124395;C=CC(F)C1NC1C;KURTVLUWKOFGIV-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124396;MM124396;CC(CC(C)C)=NO;ZKALVNREMFLWAN-UHFFFAOYSA-N;115.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124397;MM124397;CC1NC1C(F)C#N;MALOXLNSSYTKNR-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124398;MM124398;C=CC(C)C1OC1C;FXXPAVBVCYRPNA-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124399;MM124399;CC(C=O)C1OC1C;IKNNRUSSDURVNT-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124400;MM124400;CC(C#N)C1OC1C;XIHYIDJVMUBWRW-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124401;MM124401;C=CC(N)C1OC1C;CYVROCFDDZPUBS-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124402;MM124402;C=CC(O)C1OC1C;IOXISIMWGMDHGT-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124403;MM124403;CC1OC1C(O)C=O;ZAUIFDZJQVSOGN-UHFFFAOYSA-N;116.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124404;MM124404;CC1OC1C(O)C#N;WEXDGZCZHBJRGF-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124405;MM124405;C=CC(F)C1OC1C;OTLUYXSFVOKXLB-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124406;MM124406;CC1OC1C(F)C=O;AQNNFRDTBBXVOF-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124407;MM124407;CC1OC1C(F)C#N;QOENASUZQABMOC-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124408;MM124408;CN1CC(O)(C#N)C1;AWUQCWHOIGKXFN-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124409;MM124409;CC(C#N)C1CN1C;YTXIMXWKOFHGRS-UHFFFAOYSA-N;110.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124410;MM124410;C=CC(N)C1CN1C;JMAXUNBCAYOOMC-UHFFFAOYSA-N;112.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124411;MM124411;C=CNC(=O)NC=N;NVDBRPLGOLBJOK-UHFFFAOYSA-N;113.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124412;MM124412;CC(=NC=N)NC=O;JOGPDSGWYGBJLC-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124413;MM124413;N=C(NC=O)C1CN1;NXJNTBGXSHKDDV-UHFFFAOYSA-N;113.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124414;MM124414;C=CC(F)C1CN1C;XXGFTZXNHDPQBP-UHFFFAOYSA-N;115.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124415;MM124415;C=C(C)NC(=O)NC=N;YPFZYOZCTLHJNU-UHFFFAOYSA-N;127.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124416;MM124416;CN1CC1C(F)C#N;BEYLPFLZOYGMAY-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124417;MM124417;CCN1CC(O)(C#N)C1;HXQDOSNSOYHWAM-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124418;MM124418;CC(C#N)N1CC1C;WIIXIZIZJBYJDE-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124419;MM124419;CC1CN1N(C)C=N;DDHUBSDNJUQAOJ-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124420;MM124420;CC1CN1N(C)C=O;SZCGPJQDZBHWKH-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124421;MM124421;C#CC(C)C1CC1C;CEJLKJQPGUDPAZ-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124422;MM124422;C#CC(N)C1CC1C;FJIXODDRBGLCIH-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124423;MM124423;C#CC(O)C1CC1C;GKPPOVPBBWVVBF-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124424;MM124424;C#CC(F)C1CC1C;VZYFAXMVVPQXEC-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124425;MM124425;C#CC(C)C1CC1N;CAEMEAXPXKDCSE-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124426;MM124426;C#CC(N)C1CC1N;QIHKOMKYRIEPQO-UHFFFAOYSA-N;110.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124427;MM124427;C#CC(O)C1CC1N;BXAXZEBIUMYMMO-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124428;MM124428;C#CC(F)C1CC1N;OQOWVCQJBDSVPJ-UHFFFAOYSA-N;113.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124429;MM124429;CCC(=NC)NC(C)=O;ARTRONPACAGEOR-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124430;MM124430;C#CC(N)C1CC1O;OYFCJVJQTQMJJR-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124431;MM124431;C#CC(O)C1CC1O;BSWSCUAYDGUQLD-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124432;MM124432;C#CC(F)C1CC1O;XQLXOIDVFYMKIN-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124433;MM124433;C#CC(C)C1CC1F;UVGLJLUGJPVUMA-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124434;MM124434;C#CC(N)C1CC1F;FVPNKOCLUWVEBW-UHFFFAOYSA-N;113.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124435;MM124435;C#CC(O)C1CC1F;APABTQGPUGZYNU-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124436;MM124436;C#CC(F)C1CC1F;ZTLRESCOTLUSTN-UHFFFAOYSA-N;116.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124437;MM124437;C#CC(N)C1NC1C;ZLOXHZZKNHJDCB-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124438;MM124438;C#CC(F)C1NC1C;AHNJZGBZHMFJQF-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124439;MM124439;C#CC(C)C1OC1C;OYWLXRYWDOVVPB-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124440;MM124440;C#CC(N)C1OC1C;ADWYJEAKBINKLM-UHFFFAOYSA-N;111.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124441;MM124441;C#CC(O)C1OC1C;IUDLUMMJODEMAL-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124442;MM124442;C#CC(F)C1OC1C;ASFBQHDDHAVZOY-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124443;MM124443;CC(C)=CC=CC=NO;FFAAOCKYVLVNII-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124444;MM124444;C#CC(F)C1CN1C;IVRGCNSZOVROTH-UHFFFAOYSA-N;113.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124445;MM124445;C#CC(C)N1CC1C;QTJAQQBGYYEACZ-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124446;MM124446;C=C(CC)C1CC1C;CCMMGTDJBKKALB-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124447;MM124447;C=C(CN)C1CC1C;VPIIBWFPOREKBB-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124448;MM124448;C=C(CO)C1CC1C;WWLOGGVEHDPDIM-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124449;MM124449;C=C(CF)C1CC1C;CAUPRTBCBZJZOW-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124450;MM124450;CCC(=O)C1CC1C;PXVFECJNBXXKBM-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124451;MM124451;CC1CC1C(=O)CO;WEYWKEMBWABYIW-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124452;MM124452;CC1CC1C(=O)CF;WWSPEJNRJROCFS-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124453;MM124453;C=C(CC)C1CC1N;ZKGRBGXKTVFTAY-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124454;MM124454;C=C(CN)C1CC1N;MOXWPRPXFJMUHS-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124455;MM124455;C=C(CO)C1CC1N;BUEMEIKOQPUFPC-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124456;MM124456;C=C(CF)C1CC1N;UKUKRGUJWFLTIG-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124457;MM124457;NN=CCN(N)C=NO;AVMOTXYHDHGNOC-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124458;MM124458;C=C(CN)C1CC1O;PCCKFLNRELXVHD-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124459;MM124459;C=C(CO)C1CC1O;BOJIPFMVEGKYJD-UHFFFAOYSA-N;114.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124460;MM124460;C=C(CF)C1CC1O;FYBXXVSAGNXUHB-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124461;MM124461;CCC(=O)C1CC1O;QQDZUJOSEGNXQU-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124462;MM124462;O=C(CO)C1CC1O;LMOFYRHQNBVQOQ-UHFFFAOYSA-N;116.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124463;MM124463;O=C(CF)C1CC1O;LFKQSMPZCQLKNA-UHFFFAOYSA-N;118.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124464;MM124464;C=C(CC)C1CC1F;PSBRDEGYNSNJQB-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124465;MM124465;C=C(CN)C1CC1F;GUZUMUCFJDZOOB-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124466;MM124466;C=C(CO)C1CC1F;ZCUYDGIYTQASIE-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124467;MM124467;C=C(CF)C1CC1F;ZFKLOTHBWFEXTA-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124468;MM124468;CCC(=O)C1CC1F;RHKYRIFPNRWTIG-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124469;MM124469;O=C(CO)C1CC1F;RDOAIWMDWRCIMC-UHFFFAOYSA-N;118.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124470;MM124470;O=C(CF)C1CC1F;HHDPBTJMSBHCAW-UHFFFAOYSA-N;120.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124471;MM124471;CNC(=N)C1CC1C;XUQYFNTUQQCSNG-UHFFFAOYSA-N;112.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124472;MM124472;CC1CC1C(=N)NN;ZJUPYOOYIFGCML-UHFFFAOYSA-N;113.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124473;MM124473;CC1CC1C(=N)NO;XQKKCWTWUNYJPD-UHFFFAOYSA-N;114.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124474;MM124474;CNC(=O)C1CC1C;DPLLOMCIZGHUNX-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124475;MM124475;CN=CN=C(C)NC=O;UWEIIMSAXAZBSC-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124476;MM124476;CC1CC1C(=O)NO;OZZZMAVYFMGWLQ-UHFFFAOYSA-N;115.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124477;MM124477;CNC(=N)C1CC1N;SXYARNXRPNPXTL-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124478;MM124478;N=C(NO)C1CC1N;UUNKFLBNNYDVGE-UHFFFAOYSA-N;115.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124479;MM124479;CNC(=O)C1CC1N;MWWGQQMVXVRGQG-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124480;MM124480;CNC(=N)C1CC1O;OZLUHSMOQITRNR-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124481;MM124481;N=C(NN)C1CC1O;ALOIKYWRNPKZBQ-UHFFFAOYSA-N;115.14;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124482;MM124482;N=C(NO)C1CC1O;HHZFFINEWIJNAF-UHFFFAOYSA-N;116.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124483;MM124483;CNC(=O)C1CC1O;ABRVUBSXQZYYBH-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124484;MM124484;CC(=NC=NN)NC=O;ISXHJZOHDSYXOP-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124485;MM124485;O=C(NO)C1CC1O;KEUDTYZUEILCFA-UHFFFAOYSA-N;117.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124486;MM124486;CNC(=N)C1CC1F;GUGOTIXZCNRBLR-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124487;MM124487;N=C(NN)C1CC1F;NYMOIWPDQBXPJC-UHFFFAOYSA-N;117.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124488;MM124488;N=C(NO)C1CC1F;UVUKPZVXRLAASF-UHFFFAOYSA-N;118.11;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124489;MM124489;CNC(=O)C1CC1F;VOHNTXJBTPUGNG-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124490;MM124490;C=CN(C=NO)N(C)C;MPZIGOLMOKFBBH-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124491;MM124491;O=C(NO)C1CC1F;DQPYIVJGRMBFIG-UHFFFAOYSA-N;119.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124492;MM124492;C=C(OC)C1CC1C;LEHGIXOLHZHCRT-UHFFFAOYSA-N;112.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124493;MM124493;COC(=O)C1CC1C;KHHQNCNOFKTABM-UHFFFAOYSA-N;114.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124494;MM124494;C=C(OC)C1CC1N;TUKVUJGFNFUQME-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124495;MM124495;COC(=O)C1CC1N;ZTWACLWQXXTXCO-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124496;MM124496;C=C(OC)C1CC1O;BBQLBNARWPHNHR-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124497;MM124497;COC(=O)C1CC1O;FYTOUYIIMUQKBJ-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124498;MM124498;C=C(OC)C1CC1F;RREJVHKDDRZDCI-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124499;MM124499;COC(=O)C1CC1F;NBXDRYGLTMYUGZ-UHFFFAOYSA-N;118.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124500;MM124500;C=C(CN)C1NC1C;GOKXXHMTULIGRJ-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124501;MM124501;Nc1cc(O)n(O)c1N;SESJSHAVNPZNOF-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124502;MM124502;C=Cc1cn(O)c(C)n1;WPENAJMQJAADAU-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124503;MM124503;C#CC(C#N)C1NC1C;UIKQLKHSVVZNMR-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124504;MM124504;CNC(=N)C1NC1C;YCRPHNWFKODMBD-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124505;MM124505;CC1NC1C(=N)NN;SNQHTSKDJIVDNJ-UHFFFAOYSA-N;114.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124506;MM124506;C=CC=CC(CC)=NO;MCPIWBSADWMMMT-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124507;MM124507;CON1C=NC(C#N)C1;BHMPPRBSLWLDRV-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124508;MM124508;CC1NC1C(=O)NO;YMBGMNIMDJINQT-UHFFFAOYSA-N;116.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124509;MM124509;C=C(OC)C1NC1C;BXVOTFJJSZUVCC-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124510;MM124510;COC(=O)C1NC1C;LDRYRACKTAWHCZ-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124511;MM124511;C=C(CC)C1OC1C;YWEHZFZKAUVVQJ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124512;MM124512;C=C(CN)C1OC1C;DLMIOIYKUVOEOS-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124513;MM124513;C=C(CO)C1OC1C;CINAWVIUILMOKK-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124514;MM124514;C=C(CF)C1OC1C;AMVUQKDNWMTXDO-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124515;MM124515;CCC(=O)C1OC1C;AYDFAMFONQBYIC-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124516;MM124516;CC1OC1C(=O)CO;SGZUBSWEAYMSKU-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124517;MM124517;CC1OC1C(=O)CF;MJALFEOLCMDZAR-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124518;MM124518;CNC(=N)C1OC1C;IIYXKBNOGKZWNH-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124519;MM124519;CC1OC1C(=N)NN;QBGDRWUFOFJHAN-UHFFFAOYSA-N;115.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124520;MM124520;CNC(=O)C1OC1C;ATZHPBFUYWUYID-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124521;MM124521;C=CC1=CC(=NO)CN1;FACJSMRCPYGMKT-UHFFFAOYSA-N;124.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124522;MM124522;CC1OC1C(=O)NO;NCDRPHSOXPWORI-UHFFFAOYSA-N;117.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124523;MM124523;C=C(OC)C1OC1C;DGGRYAXKCGKCLL-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124524;MM124524;COC(=O)C1OC1C;UZVPEDADFDGCGI-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124525;MM124525;C=C(CC)C1CN1C;HKTLWVLFYASVFJ-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124526;MM124526;C=C(CN)C1CN1C;CZOYYYLKMJHCSY-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124527;MM124527;NN=CNN=CNC=O;QYQUNHUTOQOSGD-UHFFFAOYSA-N;129.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124528;MM124528;C=C(CF)C1CN1C;BNVWFSBNCWATRJ-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124529;MM124529;CC=CCC(=N)NC(C)=O;VVQOPDXMEHSBTR-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124530;MM124530;CC=CCC(=O)NC(C)=N;ULLDPJCGKPUPKC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124531;MM124531;C=C(C)C#CC(=O)NNC;LDFHUHMSNAFNCJ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124532;MM124532;CNC(=N)C1CN1C;RHBFEYWGWDKGOG-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124533;MM124533;CN1CC1C(=N)NN;UBFFAPRJVRPMFG-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124534;MM124534;N=CNC(=O)C=C(F)CF;MRODEAYAMFHUKC-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124535;MM124535;C#CC(N)=CC(=N)NC=O;SVNXONPGJZIHCF-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124536;MM124536;CN1CC1C(=O)NO;HATXAZNYRNTWQJ-UHFFFAOYSA-N;116.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124537;MM124537;C=C(OC)C1CN1C;YXJKCHUMMUSFGQ-UHFFFAOYSA-N;113.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124538;MM124538;COC(=O)C1CN1C;JULVTNYIDJCKHS-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124539;MM124539;CCC(=N)N1CC1C;OSDBCEGUFFZWRL-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124540;MM124540;CC1CN1C(=N)CN;USSOVDGEZUFSBC-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124541;MM124541;CC1CN1C(=N)CO;IFCRZBHKXDFIPL-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124542;MM124542;CCC(=O)N1CC1C;QXXDNZMXBNSIAD-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124543;MM124543;CC1CN1C(=O)CO;NEXDADKIFMKHQZ-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124544;MM124544;CC1CN1C(=O)CF;VNJMOPSXTDZRLP-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124545;MM124545;CNC(=N)N1CC1C;IGJWKSFCGOCWOI-UHFFFAOYSA-N;113.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124546;MM124546;CC1CN1C(=N)NN;HNULQACAFHJDOT-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124547;MM124547;CC1CN1C(=N)NO;KLAVZHIATWPKLU-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124548;MM124548;CNC(=O)N1CC1C;AXTLSNLDQDWQSJ-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124549;MM124549;CC(C)CC(F)C(=O)NN;DSLGCGMMFRPTHU-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124550;MM124550;CC1CN1C(=O)NO;PREDSHHUUCNNPB-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124551;MM124551;COC(=O)N1CC1C;USFAMHJUWLPPLP-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124552;MM124552;C=CC(=C)C1CC1C;PZMMSFNPSRUWAN-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124553;MM124553;C=C(C=O)C1CC1C;CBNZWDQBZKXXGK-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124554;MM124554;C=C(C#N)C1CC1C;QGQCJCHUGYPQJW-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124555;MM124555;C=CC(=O)C1CC1C;LLIMOKPOFVZSMD-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124556;MM124556;CC1CC1C(=O)C=O;DZJIOHCZKIZRJY-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124557;MM124557;CC1CC1C(=O)C#N;SXJYOZOTNKBZKV-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124558;MM124558;C=CC(=C)C1CC1N;CCZFQXQSHWPALH-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124559;MM124559;C=CC(N)C(=O)NC(C)=O;CHVRINMJTRCWAL-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124560;MM124560;C=C(C=O)C1CC1O;FEXXTWZFRVSDJO-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124561;MM124561;C=C(C#N)C1CC1O;XWQCMEPNYXRWTB-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124562;MM124562;C=CC(=O)C1CC1O;USFVDZUBZWKOEZ-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124563;MM124563;O=CC(=O)C1CC1O;JYICYOKEJPITSC-UHFFFAOYSA-N;114.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124564;MM124564;N#CC(=O)C1CC1O;MDZOUYCCEGWKGS-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124565;MM124565;C=CC(=C)C1CC1F;GWPYARRXSGOEEC-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124566;MM124566;C=C(C=O)C1CC1F;WTILQWYEJNZAPG-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124567;MM124567;C=C(C#N)C1CC1F;JMKAJEWWPKPYAZ-UHFFFAOYSA-N;111.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124568;MM124568;C=CC(=O)C1CC1F;WAWFWTFGPQFBOY-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124569;MM124569;N#CC(=O)C1CC1F;NKWGJMVIAJTLNM-UHFFFAOYSA-N;113.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124570;MM124570;C=C(C=O)C1NC1C;PYAQDYKTYHZJAM-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124571;MM124571;C=C(C#N)C1NC1C;VZENJDQWJVRULD-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124572;MM124572;CCCN1CC(O)(C#N)C1;LKDMTOYSZGCBNJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124573;MM124573;C=CCN1CC(O)(C#N)C1;UWMSJNNBXQAORR-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124574;MM124574;CC(C)N1CC(O)(C#N)C1;OZZDFBXGRGLGGB-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124575;MM124575;C=CC(=C)C1OC1C;DSEUHJCYPSYHEE-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124576;MM124576;C=C(C=O)C1OC1C;NOPUXCDIZOYFFQ-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124577;MM124577;C=C(C#N)C1OC1C;CUGYRBCMTQEPFX-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124578;MM124578;C=CC(=O)C1OC1C;IWKAOBCEXMGEDV-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124579;MM124579;CC1OC1C(=O)C=O;AJLSJDZOKJLWLZ-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124580;MM124580;CC1OC1C(=O)C#N;VCAYNFQOXVNVLE-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124581;MM124581;C=CC(=C)C1CN1C;KQVCFOYDHFZDCK-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124582;MM124582;C=C(C=O)C1CN1C;LUKTVGWBADALCW-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124583;MM124583;C=CC(=O)C1CN1C;WGORBSXSXNHTMK-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124584;MM124584;C=NNC(=O)NNC=NN;DJECURYCJQDHMG-UHFFFAOYSA-N;144.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124585;MM124585;CCC=CNC(=O)NC=N;FFOMXLCGWBTHEO-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124586;MM124586;C=CC(=N)N1CC1C;JVPVRJWFQQPUNC-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124587;MM124587;CC1CN1C(=N)C=O;VVKGWMYANIFIAX-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124588;MM124588;CC1CN1C(=N)C#N;JSBIHMXNYJYISY-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124589;MM124589;C=CC(=O)N1CC1C;GXQHZLJGPBPXRJ-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124590;MM124590;CC1CN1C(=O)C=O;JBNBMRPEDQTXPI-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124591;MM124591;CC1CN1C(=O)C#N;LDQGHDJJZHUYMX-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124592;MM124592;C#CC(=C)C1CC1C;ZOTCAUQJCZLGOG-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124593;MM124593;C#CC(=O)C1CC1C;QTPVIHUXZGJBAZ-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124594;MM124594;C#CC(=C)C1CC1N;IFDTWQNBSLKUQI-UHFFFAOYSA-N;107.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124595;MM124595;N=CNC(=O)NC=CC=O;BAJYQRXNXUMNPB-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124596;MM124596;C#CC(=O)C1CC1O;DJNPIAQUOMRYHI-UHFFFAOYSA-N;110.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124597;MM124597;C#CC(=C)C1CC1F;UUNMPSAOIRLOJN-UHFFFAOYSA-N;110.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124598;MM124598;C#CC(=O)C1CC1F;IQSZBAOLDKWQHH-UHFFFAOYSA-N;112.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124599;MM124599;C#CC(=C)C1NC1C;QNRDGCZJBDQAHM-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124600;MM124600;CC(=NC=NC=N)NC=O;OXYWRARXNWTRBR-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124601;MM124601;C#CC(=C)C1OC1C;PSIQNSLJIOERHK-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124602;MM124602;C#CC(=O)C1OC1C;AYUQJLIBEMARQL-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124603;MM124603;C#CC(=C)C1CN1C;UWFZWUWWVPUMOC-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124604;MM124604;CC=CCC=C(C)C=NO;VWTYHHXSRATWNG-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124605;MM124605;C#CC(=N)N1CC1C;OWJQQJFMEYFAQM-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124606;MM124606;C#CC(=O)N1CC1C;HZKDBYMRVYDYEE-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124607;MM124607;CC=C(C)C1CC1C;ZRGACOBCHBCUKB-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124608;MM124608;CC(=CF)C1CC1C;JPTLACJVXCPGQM-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124609;MM124609;CC=C(F)C1CC1C;SVHLSLSXFCWSRU-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124610;MM124610;CC1CC1C(F)=CF;CJWJYSDYHRLMDZ-UHFFFAOYSA-N;118.13;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124611;MM124611;CC=C(C)C1CC1N;ZOIYQTMSOOBKTH-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124612;MM124612;CC(=CF)C1CC1N;ZYSMKSHOYUVIQW-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124613;MM124613;CC=C(F)C1CC1N;UFLOULZFQSSMKO-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124614;MM124614;NC1CC1C(F)=CF;IRZHPCAJWXIVCJ-UHFFFAOYSA-N;119.11;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124615;MM124615;C#CC=C(C)C(=N)NC=O;JZVHPJSBGGPIJY-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124616;MM124616;CC(=CF)C1CC1O;OIOSWSZUDQWBFT-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124617;MM124617;CC=C(F)C1CC1O;YVHKRQNQJAMLGF-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124618;MM124618;OC1CC1C(F)=CF;FBSOVCVQCLWNNW-UHFFFAOYSA-N;120.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124619;MM124619;CC=C(C)C1CC1F;KQRSZONARZARSF-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124620;MM124620;CC(=CF)C1CC1F;YGQJYNKFUVYOMK-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124621;MM124621;CC=C(F)C1CC1F;BXULJKGZBMFGCT-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124622;MM124622;FC=C(F)C1CC1F;HDGPCEQXCMCNHX-UHFFFAOYSA-N;122.09;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124623;MM124623;CC(=NN)C1CC1C;IILSADFBMPFYDR-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124624;MM124624;CC(=NO)C1CC1C;RWOUYOSLULISSS-UHFFFAOYSA-N;113.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124625;MM124625;CC(=NO)C1CC1N;NYDAGFJHMOLLKS-UHFFFAOYSA-N;114.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124626;MM124626;C=C(C)C(=NCC)NC=O;VPLVLFHBNMFTJU-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124627;MM124627;CC(=NO)C1CC1O;WBZZUVUZILWWCZ-UHFFFAOYSA-N;115.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124628;MM124628;CC(=NN)C1CC1F;XJQIBSFLPSFOOT-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124629;MM124629;CC(=NO)C1CC1F;BDKJBGZUQOIZOM-UHFFFAOYSA-N;117.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124630;MM124630;CC=C(F)C1NC1C;IRYKZTDLTQNSAB-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124631;MM124631;CC1NC1C(F)=CF;WFSXODVLZCFNBS-UHFFFAOYSA-N;119.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124632;MM124632;CC(=NN)C1NC1C;NRAPETKBXDRAHL-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124633;MM124633;C=CC(C)CCC(C)=NO;FPWCVGJMBDYUJC-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124634;MM124634;CC=C(C)C1OC1C;UKQZURWLDFHGIV-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124635;MM124635;CC(=CF)C1OC1C;DXKYFYUGXCHESG-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124636;MM124636;CC=C(F)C1OC1C;AKLOMHQPNSGZMR-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124637;MM124637;CC1OC1C(F)=CF;UACSDDDRPOCRLC-UHFFFAOYSA-N;120.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124638;MM124638;CC(=NN)C1OC1C;GIQWZEBZJCSKSK-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124639;MM124639;CC=C(C)C1CN1C;NSQQZWVARXSOSW-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124640;MM124640;CC(=CF)C1CN1C;URKQJMKWYWMREI-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124641;MM124641;CC=C(F)C1CN1C;XCDXQNKSLGPMLS-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124642;MM124642;CN1CC1C(F)=CF;KFFSAGKOMJBULR-UHFFFAOYSA-N;119.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124643;MM124643;CC(=NN)C1CN1C;DYLXJZQNTHQDFM-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124644;MM124644;CC(=NO)C1CN1C;MEZSSHBKKPGLGB-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124645;MM124645;CN=C(C)N1CC1C;DPKJXBZDOFICKT-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124646;MM124646;CC(=NN)N1CC1C;MKEJEOZGGCRPNE-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124647;MM124647;C=C(C)C=CC(CC)=NO;SBIYHKAYVZPHIC-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124648;MM124648;CCCCC1CC1C;IWTBNPKBPXCCIV-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124649;MM124649;CC1CC1CCCN;GKLACXGCVNIJIX-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124650;MM124650;CC1CC1CCCO;YRDUUAXRCRMGFV-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124651;MM124651;CC1CC1CCCF;DTEAGNZQUQMEJF-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124652;MM124652;CCCCC1CC1N;CHGHNNMJPZURQV-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124653;MM124653;NCCCC1CC1N;DQQNPHQZALDUEQ-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124654;MM124654;NC1CC1CCCO;FGWQBWILFPVUBB-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124655;MM124655;C=CC(=C)N(N)C(C)=NO;UUTNSILRLLXKEW-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124656;MM124656;NCCCC1CC1O;NFDPVDPTVGQUND-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124657;MM124657;C=NNCC(=O)NCC#N;PGQYGQUIYLJAMQ-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124658;MM124658;CC#CCC=CC(C)=NO;QVXNFRUCOXPZLX-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124659;MM124659;CCCCC1CC1F;MBFSAEOTJGFYDB-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124660;MM124660;NCCCC1CC1F;GPOFCBXONFYBMF-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124661;MM124661;OCCCC1CC1F;ISSCRRXXGDQJAL-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124662;MM124662;FCCCC1CC1F;YXQWNOUJZYYSNR-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124663;MM124663;CNCCC1CC1C;IYUCEPOYWFVFNH-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124664;MM124664;CNCCC1CC1N;MAWVUWADCADTSH-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124665;MM124665;CNCCC1CC1O;ZXSNAMMNWGWTJP-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124666;MM124666;CNCCC1CC1F;IYMGOXLEOOKVJX-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124667;MM124667;COCCC1CC1C;BBYCHKNXBAUFIJ-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124668;MM124668;COCCC1CC1N;LQPOZPLTOBRRCZ-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124669;MM124669;COCCC1CC1O;DQFNHZIVMSDYMJ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124670;MM124670;COCCC1CC1F;LVHQIHWAADRDFJ-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124671;MM124671;CCNCC1CC1C;CKIUURQYIVXTDS-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124672;MM124672;CCNCC1CC1N;MOCIIMQMKQXGSN-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124673;MM124673;CCNCC1CC1O;QSURDALJFMCIBU-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124674;MM124674;CCNCC1CC1F;TVAYIARKHFSPDT-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124675;MM124675;CCOCC1CC1C;NUKKAUHDHXRPCZ-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124676;MM124676;CCOCC1CC1N;ZDVKYVLNLCJGNW-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124677;MM124677;CCOCC1CC1O;JZOYTUSFVHUFBV-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124678;MM124678;CCOCC1CC1F;DAUGELYCUWSJJO-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124679;MM124679;CCCNC1CC1C;KFZJWMNHEHPTPU-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124680;MM124680;CC1CC1NCCN;SUCUMBSADDKROS-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124681;MM124681;CC1CC1NCCO;IPWIMSJZYCZTMY-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124682;MM124682;CC1CC1NCCF;DROVMCAHCCUINQ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124683;MM124683;CCCNC1CC1N;FFPLLHNIMKGHLO-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124684;MM124684;NCCNC1CC1N;IZTDZKIIDMVHIC-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124685;MM124685;NC1CC1NCCO;KWAKLZFKSPMRAC-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124686;MM124686;NC1CC1NCCF;WRVPMDRRVSFVFO-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124687;MM124687;CCCNC1CC1O;KXIPMRZWZIURRB-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124688;MM124688;NCCNC1CC1O;RDMBEITYVLYNIJ-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124689;MM124689;OCCNC1CC1O;KVLXVLKWMMXFAT-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124690;MM124690;CCCNC1CC1F;MWMRDMPZMZPOLD-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124691;MM124691;NCCNC1CC1F;RVTLWAFYNMZZLT-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124692;MM124692;CCCOC1CC1C;WRVMWDLIMBWHKS-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124693;MM124693;CC1CC1OCCN;VDMIZCQHHJKSMP-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124694;MM124694;CC1CC1OCCO;GAUCVTNYVVPFFM-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124695;MM124695;CCCOC1CC1N;LCZWSQSBJVBACC-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124696;MM124696;NCCOC1CC1N;CSJFZHMAHGAPSK-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124697;MM124697;NC1CC1OCCO;ZWORUBRMIFRHQY-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124698;MM124698;CCCOC1CC1O;BLPUHHGBGYCCCO-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124699;MM124699;NCCOC1CC1O;GWDCWPBHRAIKBU-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124700;MM124700;OCCOC1CC1O;HHLXEAXBWLRMSM-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124701;MM124701;OC1CC1OCCF;OCFSYGRJHBLFEH-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124702;MM124702;CCCOC1CC1F;IDPDUZFJXHTRNK-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124703;MM124703;NCCOC1CC1F;DBYQFJDNSZFRNS-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124704;MM124704;OCCOC1CC1F;SZSXPVRFWQESDW-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124705;MM124705;FCCOC1CC1F;UOLKLMPUBTXLKQ-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124706;MM124706;COCOC1CC1C;WFUNGACOIAXYQA-UHFFFAOYSA-N;116.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124707;MM124707;COCOC1CC1O;SLLDMFDKLVERLG-UHFFFAOYSA-N;118.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124708;MM124708;CC1NC1CCCN;QQADOADRCBKGTD-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124709;MM124709;CNCCC1NC1C;YUZXVJRLTLLRHA-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124710;MM124710;CCNCC1NC1C;ZUTHVFPLDNXRTI-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124711;MM124711;CCCCC1OC1C;RAWZOXRFHKUFPX-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124712;MM124712;CC1OC1CCCN;DRYSWIYQBXBNBX-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124713;MM124713;CC1OC1CCCO;HXLRYYFYBFWVBV-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124714;MM124714;CNCCC1OC1C;NBYWVVJBFUQEMI-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124715;MM124715;COCCC1OC1C;UYOKVUYAQCKIOF-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124716;MM124716;CCNCC1OC1C;NINGIHITBHRAPO-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124717;MM124717;CCOCC1OC1C;OOWQEVSOZBSUAR-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124718;MM124718;CN1CC1CCCN;ONQSMNCWTMHEOX-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124719;MM124719;C=C(CC)C(=NC)NC=O;DENPUPGCZSRENY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124720;MM124720;CNCCC1CN1C;IPPOSRCWJIBZQV-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124721;MM124721;CCNCC1CN1C;WYXDVEYAFRIOSK-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124722;MM124722;CCOCC1CN1C;BRYMUFZZSFOCJY-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124723;MM124723;CC1CN1CCCN;LZBYQTFSQDAHNE-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124724;MM124724;CNCCN1CC1C;GZJXOVFDXOZVDU-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124725;MM124725;COCCN1CC1C;JHAQPBPMZGBSBF-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124726;MM124726;C=CCCC1CC1C;YJGDANUTNAEZCU-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124727;MM124727;CC1CC1CCC=O;MARPTDMKXFVSTR-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124728;MM124728;CC1CC1CCC#N;VWDCLFCULQSDFH-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124729;MM124729;C=CCCC1CC1N;LAEAINCXGLQEEN-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124730;MM124730;CC=C(C)C(=NC)NC=O;BOMXGGQWXSNCRZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124731;MM124731;CCC(=NO)NCCC#N;UZSXPLMOSQEAEE-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124732;MM124732;N#CCCC1CC1O;GPZFVEPOBFLVFU-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124733;MM124733;C=CCCC1CC1F;UHILDVGHOVZDTO-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124734;MM124734;O=CCCC1CC1F;DSLSRWXBMQMPKM-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124735;MM124735;N#CCCC1CC1F;YEZMANBNZRYPCY-UHFFFAOYSA-N;113.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124736;MM124736;CC1CC1CNC=N;GLBWLMHBZJXBAB-UHFFFAOYSA-N;112.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124737;MM124737;NNC(=NO)NN=CCF;AEIDSAFJHYMZRB-UHFFFAOYSA-N;149.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124738;MM124738;N=CNCC1CC1N;ZRASYVDFZYGYHF-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124739;MM124739;NC1CC1CNC=O;WFEKXAOSFVJMSU-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124740;MM124740;N=CNCC1CC1O;IZGYPUQIEOBBCC-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124741;MM124741;O=CNCC1CC1O;FWZSHVLRXZJBTH-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124742;MM124742;N=CNCC1CC1F;IGVVNWCFWKNALT-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124743;MM124743;O=CNCC1CC1F;TZPHNLQVEQDSRG-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124744;MM124744;C=NNCC1CC1C;PWIHDRPONRSZDT-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124745;MM124745;C=NNCC1CC1N;UPUPDKWBGGWUQW-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124746;MM124746;C=C1CCC(=NC)NC1=O;QRXXJNDESYLVMU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124747;MM124747;C=NNCC1CC1F;CBMSDXVOYMNVGS-UHFFFAOYSA-N;116.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124748;MM124748;C=COCC1CC1C;IHQGWXKDSLJQDV-UHFFFAOYSA-N;112.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124749;MM124749;CC1CC1COC=O;RJCVBXVONYRNPT-UHFFFAOYSA-N;114.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124750;MM124750;C=COCC1CC1N;AOMAAOOYMVPYFG-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124751;MM124751;NC1CC1COC=O;MBHMWKLFJPZDKO-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124752;MM124752;C=COCC1CC1O;DINLFBJNSJDNHS-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124753;MM124753;O=COCC1CC1O;NNQUHSPKBMKYNP-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124754;MM124754;C=COCC1CC1F;UGAKMYHNHLZTRY-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124755;MM124755;O=COCC1CC1F;SYSHBGZWBVSCGH-UHFFFAOYSA-N;118.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124756;MM124756;C=NOCC1CC1C;QPDVIMGJLCYHIT-UHFFFAOYSA-N;113.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124757;MM124757;C=NOCC1CC1N;NXFHKSWQQVHZGX-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124758;MM124758;CC=CC1CC(=NO)NN1;IWVVDXDILKZNHI-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124759;MM124759;C=CCNC1CC1C;PHBJNDABCWEFGQ-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124760;MM124760;CC1CC1NCC#N;DWECMYKGPIDLJS-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124761;MM124761;C=CCNC1CC1N;XHPVYEYAHCHKRP-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124762;MM124762;C=CCNC1CC1O;NLXKIRKWVNIDPF-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124763;MM124763;C=CC1=NNC(=NCC)C1;WTUSPMSUDISHBX-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124764;MM124764;N#CCNC1CC1F;QRUSOULQVJBXTL-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124765;MM124765;CC1CC1NNC=N;JOVXQCTVLGPBFA-UHFFFAOYSA-N;113.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124766;MM124766;C#CCc1ncc(CO)[nH]1;LXHZPYUCOYARLH-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124767;MM124767;N=CNNC1CC1N;NRUMGBAZXSXMFO-UHFFFAOYSA-N;114.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124768;MM124768;NC1CC1NNC=O;FWVHLHXWZXOWRS-UHFFFAOYSA-N;115.14;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124769;MM124769;N=CNNC1CC1O;BKBNXJMWEKYVBS-UHFFFAOYSA-N;115.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124770;MM124770;CNN=CNN=CNC=O;YYZSGYUQHIIRFL-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124771;MM124771;N=CNNC1CC1F;GVJKAMZLQZDNCH-UHFFFAOYSA-N;117.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124772;MM124772;C=CCOC1CC1C;WPQNRHQQFGOMQR-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124773;MM124773;CC1CC1OCC=O;RRDHAPVPLONMBW-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124774;MM124774;CC1CC1OCC#N;ZAMQSIAGLJLUFT-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124775;MM124775;C=CCOC1CC1N;DBLPLYHNWXIRBE-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124776;MM124776;C=CCOC1CC1O;VOBYHJVQWOTEOW-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124777;MM124777;O=CCOC1CC1O;LVEGIRARPMOIOX-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124778;MM124778;N#CCOC1CC1O;IBUCZQBRERIMEM-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124779;MM124779;C=CCOC1CC1F;OZPDLNAPTOPUER-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124780;MM124780;O=CCOC1CC1F;SQJCKXCRQUOTIJ-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124781;MM124781;N#CCOC1CC1F;OYTPLMOLEGIJCW-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124782;MM124782;CC1CC1ONC=N;MQBFVMJQPAFKGM-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124783;MM124783;CC1CC1ONC=O;VQHVLKMMJPUTLC-UHFFFAOYSA-N;115.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124784;MM124784;N=CNOC1CC1N;HBJCUQRHTRZTJN-UHFFFAOYSA-N;115.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124785;MM124785;NC1CC1ONC=O;DHCPZECLEPOACC-UHFFFAOYSA-N;116.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124786;MM124786;O=CNOC1CC1F;WLZBHWRIDPGITR-UHFFFAOYSA-N;119.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124787;MM124787;CC1NC1CNC=N;FECOYMDNTOMQKR-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124788;MM124788;C=NOCC1NC1C;GPKXWEAOWGOGEJ-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124789;MM124789;C=CCCC1OC1C;SVRGWWLOEOPCMY-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124790;MM124790;CC1OC1CCC=O;ZLCZUFNOIAEBTL-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124791;MM124791;CC1OC1CCC#N;SWKIOBYVFGKNQU-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124792;MM124792;CC1OC1CNC=N;MCVOBIDTSAUJCL-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124793;MM124793;OCC1=CCC(=NO)NC1;UWLYPYSOWCJOLZ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124794;MM124794;C=NNCC1OC1C;NRDIKWRMIZRBGL-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124795;MM124795;C=COCC1OC1C;KZGSZQAWDGDWFY-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124796;MM124796;CC1OC1COC=O;NBUUKTRSBSKZJD-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124797;MM124797;C=NOCC1OC1C;ZHQXCOFMTNGENN-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124798;MM124798;Cc1cn(O)cn1;FWUSIRZOPRZMJB-UHFFFAOYSA-N;98.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124799;MM124799;CN1CC1CCC#N;GTHUMRIKRUYRCS-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124800;MM124800;CN1CC1CNC=N;YHUFCISXDYHIAR-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124801;MM124801;NN(C=NO)CCO;IGGVXLWFPZECOI-UHFFFAOYSA-N;119.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124802;MM124802;C=NNCC1CN1C;MVCKWKVACYZPOO-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124803;MM124803;C=COCC1CN1C;DXXAREWIUZOBMU-UHFFFAOYSA-N;113.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124804;MM124804;CN1CC1COC=O;BONKYEHHGDPOSN-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124805;MM124805;C=NOCC1CN1C;ZSLRDBZEMRFCCL-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124806;MM124806;C=CCC(=C)C=NO;NURMYQIGVKPIGM-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124807;MM124807;CC1CN1CCC#N;XEUMYCLYHUHOFN-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124808;MM124808;C#CCCC1CC1C;WPHQDVRETUKWMZ-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124809;MM124809;C#CCCC1CC1N;MACLEXZMPSWSTM-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124810;MM124810;N#CC1CN(O)C=N1;HADGJVXLRFLFJY-UHFFFAOYSA-N;111.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124811;MM124811;C#CCCC1CC1F;RDPSLLUUPOESQB-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124812;MM124812;C#CCNC1CC1C;XCMNAANABUFYAR-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124813;MM124813;C#CCNC1CC1N;XUFFORBTLOHBMG-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124814;MM124814;C#CCOC1CC1C;BZNQVYMPDBKRMI-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124815;MM124815;C#CCOC1CC1N;WRWHPFYGBZLSMW-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124816;MM124816;C#CCOC1CC1O;MLVHBNPEFFBPBU-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124817;MM124817;C#CCOC1CC1F;NUJIXZQUPQZTJR-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124818;MM124818;C#CCCC1OC1C;GCGWLCWPWFWNSY-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124819;MM124819;CC=CCC1CC1C;FMGLHEIIVMSRPI-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124820;MM124820;CC1CC1CC=CF;DAQYPJWZEUCZLU-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124821;MM124821;CC=CCC1CC1N;MQYNMGVZCWWYOX-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124822;MM124822;NC1CC1CC=CF;UVKHKHNOTWJCDQ-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124823;MM124823;CCC(=N)NC(=O)CC;PDSQIPSRVHFOAG-UHFFFAOYSA-N;128.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124824;MM124824;CCC(C)CC(C)=NO;YATRBHCQMCQCQX-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124825;MM124825;CC=CCC1CC1F;HTCJNISVXUYQSS-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124826;MM124826;FC=CCC1CC1F;PYYZPRRSQHRILN-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124827;MM124827;CC1CC1CC=NN;ZMBKCDJDDNOLLJ-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124828;MM124828;CC1CC1CC=NO;AIFAMTDAYDUUPJ-UHFFFAOYSA-N;113.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124829;MM124829;NC1CC1CC=NO;KGLDWFLYDNMMGI-UHFFFAOYSA-N;114.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124830;MM124830;N=CNC(=O)CNC=O;RRUDHEAFJDIUKP-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124831;MM124831;ON=CCC1CC1O;BWWXKPRJCNLLQV-UHFFFAOYSA-N;115.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124832;MM124832;NN=CCC1CC1F;SLPWIYYXXFEZHY-UHFFFAOYSA-N;116.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124833;MM124833;ON=CCC1CC1F;CSYOJGDXUDCADE-UHFFFAOYSA-N;117.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124834;MM124834;CN=CNC1CC1C;ZIYDPUGFDGQFIM-UHFFFAOYSA-N;112.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124835;MM124835;CC1CC1N=CNN;YBLUTSJFCPFFPZ-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124836;MM124836;CN=CNC1CC1N;LADRHESQNJVZII-UHFFFAOYSA-N;113.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124837;MM124837;CN=CNC1CC1O;IZFJHMDARQAIBS-UHFFFAOYSA-N;114.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124838;MM124838;COC=CC(=N)NC=O;ASEQHGHYBRIYOS-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124839;MM124839;CN=CNC1CC1F;DOUDJEUZUYVTSD-UHFFFAOYSA-N;116.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124840;MM124840;C=C(C)C(=NC)NC=O;UMOHMXZRWWTOGH-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124841;MM124841;CC=NNC1CC1C;FPBLHHRYAOXIAD-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124842;MM124842;CC=NNC1CC1N;QVFPKWZCQDZWIP-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124843;MM124843;C=CCC1CC(=O)NN1;URSFHVUHQWIBGX-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124844;MM124844;CC=NNC1CC1F;UFVAUMQRYMYHOR-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124845;MM124845;CC=COC1CC1C;SDUSQQKEVVWJOG-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124846;MM124846;CC1CC1OC=CF;LZTWWUCCTLWUSY-UHFFFAOYSA-N;116.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124847;MM124847;CC=COC1CC1N;LEJRHIKCEBZTJW-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124848;MM124848;NC1CC1OC=CF;JYYWRKFGOFLXBF-UHFFFAOYSA-N;117.12;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124849;MM124849;CC=COC1CC1O;FKFVRGUHIYZUPB-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124850;MM124850;OC1CC1OC=CF;MAKWFUYGURJZKX-UHFFFAOYSA-N;118.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124851;MM124851;CC=COC1CC1F;HNAFSIFYAQKPCR-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124852;MM124852;FC=COC1CC1F;FERQOSYPRBAZAE-UHFFFAOYSA-N;120.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124853;MM124853;CCCc1n[nH]c(N)n1;GCPOFDRZTYMDKK-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124854;MM124854;CC1CC1OC=NO;GGIVVLCAYDSVGY-UHFFFAOYSA-N;115.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124855;MM124855;NC1CC1OC=NO;AOTRJSMHHHQNCD-UHFFFAOYSA-N;116.12;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124856;MM124856;CCNc1nc(C)n[nH]1;HFMUPFLLCFCHKK-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124857;MM124857;ON=COC1CC1O;VCCMUWMIFNQATK-UHFFFAOYSA-N;117.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124858;MM124858;C#CC(NC)C(O)C#N;XHHHIAIDJNGDBY-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124859;MM124859;ON=COC1CC1F;FEQLHFCFPVOJRA-UHFFFAOYSA-N;119.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124860;MM124860;CC=NOC1CC1C;BGHJNVDMKIPJHF-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124861;MM124861;CC=NOC1CC1N;JCYQUIIDJWVJIA-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124862;MM124862;C=CC1C=CC(=NO)C1;LHPRFFFPTZFSKF-UHFFFAOYSA-N;123.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124863;MM124863;CC=NOC1CC1F;JARYIDBIFHNSLG-UHFFFAOYSA-N;117.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124864;MM124864;CC=CCC1OC1C;ZKSVNNSRXJIUGY-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124865;MM124865;CC1OC1CC=CF;XHEBAEAAHARHKR-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124866;MM124866;CC1OC1CC=NN;WBXAICSGHWZOKQ-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124867;MM124867;CC1OC1CC=NO;FIIRLZXYNQAQFB-UHFFFAOYSA-N;115.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124868;MM124868;CN1CC1CC=CF;PAGQWUATBBUTTI-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124869;MM124869;CN1CC1CC=NN;QQILQRITVSPNCT-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124870;MM124870;CCC=CC=CC=NO;UPTAVPYFCAAFMD-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124871;MM124871;CC=CCN1CC1C;SJTZPWAFAAYVAW-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124872;MM124872;CC1CN1CC=CF;PLYFKQAEZKAKIV-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124873;MM124873;CC1CN1CC=NN;YRCLHHHRZKCCNQ-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124874;MM124874;CC1CN1CC=NO;OJZNUFXPQSMLTR-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124875;MM124875;CN=CNN1CC1C;DFLKHNXZDAMJRO-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124876;MM124876;CN=CNC(=O)N1CC1;AUBPIWXYMBWJTL-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124877;MM124877;CC#CCC1CC1C;NUXNMCRZHLWQJD-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124878;MM124878;CC#CCC1CC1N;AVRQJOQPACGLQB-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124879;MM124879;C=NNCC(=O)NC(N)=O;FQASGUZPHUUGQU-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124880;MM124880;CC#CCC1CC1F;VUYHDVFPHCHIAI-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124881;MM124881;CC#CCC1OC1C;RKLWDKRLBJLPAW-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124882;MM124882;CC#CCC1CN1C;SXLXIYDNACAJNR-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124883;MM124883;CC#CCN1CC1C;BWNKXHDFTKWCEG-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124884;MM124884;CCC=CC1CC1C;CUAMBNDNCKCZQQ-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124885;MM124885;CC1CC1C=CCN;IEEMGHWADRAQPS-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124886;MM124886;CC1CC1C=CCO;LJWLTEMXHPYEAV-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124887;MM124887;CC1CC1C=CCF;NSEDJBUJAYCPDN-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124888;MM124888;CCC=CC1CC1N;LKJCFPMXAPPPPK-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124889;MM124889;NCC=CC1CC1N;QECJNNWGVCOQIR-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124890;MM124890;NC1CC1C=CCO;TWHGYYABLANPQI-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124891;MM124891;NC1CC1C=CCF;TXHYGSJXRHYYOQ-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124892;MM124892;C#CC(C)(C)N(N)C=NO;JCLXXTNGLHQSLJ-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124893;MM124893;NCC=CC1CC1O;UBNWHIQXAZWEKX-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124894;MM124894;OCC=CC1CC1O;GNEBLCKRXGUEBM-UHFFFAOYSA-N;114.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124895;MM124895;C=C(C)C=CN(N)C=NO;UNVPSLNCAGGVIC-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124896;MM124896;CCC=CC1CC1F;AVGTURWRXKJCMJ-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124897;MM124897;NCC=CC1CC1F;BPMXKJBJHVGJLA-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124898;MM124898;OCC=CC1CC1F;BGHBRVBISPBJHC-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124899;MM124899;COC=CC1CC1C;JYAYWRSOZNOVMD-UHFFFAOYSA-N;112.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124900;MM124900;COC=CC1CC1N;SNLMVJXZFOBIQX-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124901;MM124901;COC=CC1CC1O;CSYFFKQLPIAZOV-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124902;MM124902;CNN=CC1CC1C;NCRYVDRZDCKEMP-UHFFFAOYSA-N;112.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124903;MM124903;CNN=CC1CC1N;YRQCAJNBYBMGJQ-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124904;MM124904;CCCC(=N)NC(=O)CC;NDCVSMYUCMEPHK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124905;MM124905;CON=CC1CC1C;JSQSOHVBUJVVGY-UHFFFAOYSA-N;113.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124906;MM124906;CON=CC1CC1N;NESZDTZDIIVBGK-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124907;MM124907;C=CC(C)=CN(N)C=NO;VRHXMZKCAFOYCE-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124908;MM124908;CC1NC1C=CCN;RWZGNTARRKBBGX-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124909;MM124909;CNN=CC1NC1C;KQVWBYSDVSAWQJ-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124910;MM124910;CON=CC1NC1C;CALDWWMNOLEFGL-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124911;MM124911;CCC=CC1OC1C;YBNDKWQGAFMOCW-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124912;MM124912;CC1OC1C=CCN;LCTOMCOQCQIQER-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124913;MM124913;CC1OC1C=CCO;PNBZQHXSUUWWLP-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124914;MM124914;CC1OC1C=CCF;ZZGUZDPPJVGMHJ-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124915;MM124915;COC=CC1OC1C;QRFKGOPYUYRTON-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124916;MM124916;CNN=CC1OC1C;YSNMTGOTFSBGQQ-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124917;MM124917;CON=CC1OC1C;IBHHTFQGQQEGET-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124918;MM124918;CCC=CC1CN1C;KYJDPFCQQUJHMX-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124919;MM124919;CN1CC1C=CCN;HVYQJRQMGBACMM-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124920;MM124920;N#CCNCC(=N)NC=O;HRNJADKFMVKEKQ-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124921;MM124921;CN1CC1C=CCF;MWKJLVXAJHTONP-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124922;MM124922;COC=CC1CN1C;KDQJUNXKFGDESY-UHFFFAOYSA-N;113.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124923;MM124923;CNN=CC1CN1C;UGCWHNUWBPUDSL-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124924;MM124924;CON=CC1CN1C;KPGWVBUUDNHCPK-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124925;MM124925;CCN=CN1CC1C;CSJRAAJWTUHECQ-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124926;MM124926;CON=CN1CC1C;RWQADDLXAVKYGX-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124927;MM124927;CCC=NN1CC1C;LPQLQCDMRURAGB-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124928;MM124928;C=CC=CCC(=C)C=NO;NBGFRHNCWCERPA-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124929;MM124929;CCOC=CC(=N)NC=O;DJKGUIXYRLMSQB-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124930;MM124930;COC=NN1CC1C;QDWPUKPOADDKPL-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124931;MM124931;C=CC=CC1CC1C;WYMJJJXKFMQHOE-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124932;MM124932;CC1CC1C=CC=O;BQFDTXXVIUOSQL-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124933;MM124933;CC1CC1C=CC#N;QTRATZPSZALYIL-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124934;MM124934;C=CC=CC1CC1N;QJJFFKDTIDHVQO-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124935;MM124935;C=COC=CC(=N)NC=O;LTASRKYYCCPKDI-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124936;MM124936;C=C(C=CC=NO)CCC;CASQDCABIZWQDN-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124937;MM124937;N#CC=CC1CC1O;GHHAJQXCIOKFRN-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124938;MM124938;C=CC=CC1CC1F;AKROOOKERJYFQI-UHFFFAOYSA-N;112.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124939;MM124939;O=CC=CC1CC1F;CAAOPHDHKJKDFB-UHFFFAOYSA-N;114.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124940;MM124940;N#CC=CC1CC1F;SQDZODWGAONBKF-UHFFFAOYSA-N;111.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124941;MM124941;C=NN=CC1CC1C;SOFQIVIDNVTVAH-UHFFFAOYSA-N;110.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124942;MM124942;C=NN=CC1CC1N;XGYOORBCQHHOFO-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124943;MM124943;C=NN=CC1CC1O;WHGRGBNQDTWSNW-UHFFFAOYSA-N;112.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124944;MM124944;C=NN=CC1CC1F;WUSNJKJULWJVOZ-UHFFFAOYSA-N;114.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124945;MM124945;CC1NC1C=CC#N;WUIMHIIFEVONCN-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124946;MM124946;C=NN=CC1NC1C;CCLBHEJYPZZBIM-UHFFFAOYSA-N;111.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124947;MM124947;C=CC=CC1OC1C;KVFWZJOLFWYTOP-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124948;MM124948;CC1OC1C=CC=O;NKNZLLJWBSYTPO-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124949;MM124949;CC1OC1C=CC#N;PQVXOXZEAFXFCQ-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124950;MM124950;C=NN=CC1OC1C;UNYNYGNXZYACMR-UHFFFAOYSA-N;112.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124951;MM124951;C=CC=CC1CN1C;MWISEPVGRPNOJW-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124952;MM124952;CN1CC1C=CC=O;IWFIFRHZQKFXER-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124953;MM124953;CN1CC1C=CC#N;QSFHBIWEFSZKPR-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124954;MM124954;C=NN=CC1CN1C;XMWLGVCPTCHIIF-UHFFFAOYSA-N;111.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124955;MM124955;CC1CN1C=CC=O;SRAZGZFJAZZBMV-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124956;MM124956;CC1CN1C=CC#N;QLMDXVYWIHHRHP-UHFFFAOYSA-N;108.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124957;MM124957;CC1CN1C=NC=O;OECNDBOBYFTIBB-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124958;MM124958;C=NN=CN1CC1C;MZEOUFJRFDMTJL-UHFFFAOYSA-N;111.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124959;MM124959;C=CC=NN1CC1C;PMVCXNHNMXYXER-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124960;MM124960;CC1CN1N=CC=O;ZDFPOVKSDKKCQN-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124961;MM124961;CC1CN1N=CC#N;SSCBEQVJXXVYNV-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124962;MM124962;C#CC=CC1CC1C;BCLYOAXPNDFISA-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124963;MM124963;C#CC=CC1CC1N;SGZCRGBTDKDJNK-UHFFFAOYSA-N;107.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124964;MM124964;CC=CC#CC(=O)NNC;ZUKDMDFJDOOUEQ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124965;MM124965;C#CC=CC1CC1F;BTDXKZKGLCGACE-UHFFFAOYSA-N;110.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124966;MM124966;C#CC=CC1OC1C;TUJGDULYZMGOPX-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124967;MM124967;C#CC=CC1CN1C;OJRGJWSENMVRJA-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124968;MM124968;C#CC=NN1CC1C;PBYGBVMAAHJPPD-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124969;MM124969;CCC#CC1CC1C;AHVJRUSXMIRFRA-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124970;MM124970;CC1CC1C#CCN;YKMGVLNJAIMKMV-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124971;MM124971;CC1CC1C#CCO;BAUIOMKTXUQALE-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124972;MM124972;CC1CC1C#CCF;WXSXYZMIQHVQIS-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124973;MM124973;CCC#CC1CC1N;IDNNMFQHRHLOLQ-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124974;MM124974;NCC#CC1CC1N;KGFABTBYYLJEPW-UHFFFAOYSA-N;110.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124975;MM124975;NC1CC1C#CCO;YHYRWXIGFBFJNH-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124976;MM124976;NC1CC1C#CCF;VLYOXKXFPLRLRQ-UHFFFAOYSA-N;113.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124977;MM124977;CCC#CC1CC1O;AWFRLFKSSFYXJN-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124978;MM124978;NCC#CC1CC1O;GZYORQPBAFCSHI-UHFFFAOYSA-N;111.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124979;MM124979;OCC#CC1CC1O;AASGWJVWHOLYOD-UHFFFAOYSA-N;112.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124980;MM124980;OC1CC1C#CCF;UWAZYHAWZNHCJE-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124981;MM124981;CCC#CC1CC1F;WPOCPWXEJFIDSL-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124982;MM124982;NCC#CC1CC1F;GBSIGONWGDWYCP-UHFFFAOYSA-N;113.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124983;MM124983;OCC#CC1CC1F;HNKQTLIVDVFQPI-UHFFFAOYSA-N;114.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124984;MM124984;FCC#CC1CC1F;LCEYELQFUDHAHE-UHFFFAOYSA-N;116.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124985;MM124985;CCC#CC1NC1C;LZUUNBQLFIKGFB-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124986;MM124986;CC1NC1C#CCN;WYEOUYKJHKYENM-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124987;MM124987;C=CC=NNC(=O)N(C)N;QKBMHHSRYIASLH-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124988;MM124988;CC1NC1C#CCF;IWKQTSYKXWSZOY-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124989;MM124989;CCC#CC1OC1C;OJBPUTMXEYAUPP-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124990;MM124990;CC1OC1C#CCN;MCVFIUAHFCQAQL-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124991;MM124991;CC1OC1C#CCO;SEVURTHTSNDJJY-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124992;MM124992;CC1OC1C#CCF;KKADYXDADHUCBI-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124993;MM124993;CCC#CC1CN1C;RILSOEIQPNUTKU-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124994;MM124994;CN1CC1C#CCN;WHJYJUQLYNXZHF-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124995;MM124995;CNC(C)(C=O)C(O)C#N;LBWVBXBAIKRNLY-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124996;MM124996;CN1CC1C#CCF;JWZDWXVMONZWRU-UHFFFAOYSA-N;113.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124997;MM124997;C=CC#CC1CC1C;YNTWKUKEWCYOAE-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124998;MM124998;CC1CC1C#CC=O;PNNDHGFWUZCMOG-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM124999;MM124999;CC1CC1C#CC#N;MDODCIACRUDDPP-UHFFFAOYSA-N;105.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125000;MM125000;C=CC#CC1CC1N;BETJVKCJGFBLHS-UHFFFAOYSA-N;107.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125001;MM125001;C=CC#CC1CC1O;CKPGNIXYCGSIPS-UHFFFAOYSA-N;108.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125002;MM125002;O=CC#CC1CC1O;MXXMNQDAWQDJKJ-UHFFFAOYSA-N;110.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125003;MM125003;N#CC#CC1CC1O;UARBYWLEDICQRF-UHFFFAOYSA-N;107.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125004;MM125004;C=CC#CC1CC1F;IQQLIXBGNRIPDV-UHFFFAOYSA-N;110.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125005;MM125005;O=CC#CC1CC1F;RZPQTENXWWYSMR-UHFFFAOYSA-N;112.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125006;MM125006;N#CC#CC1CC1F;ZBXDTLRKZKCMCJ-UHFFFAOYSA-N;109.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125007;MM125007;C=CC#CC1NC1C;GIZHUFNCKGBDGH-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125008;MM125008;CC1NC1C#CC=O;FQRGJBWKMJTMDS-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125009;MM125009;CC1NC1C#CC#N;VUUDXZQHLXJBCN-UHFFFAOYSA-N;106.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125010;MM125010;C=CC#CC1OC1C;PIROUMDGKNMJMF-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125011;MM125011;CC1OC1C#CC=O;APAPWZMOUBGNFR-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125012;MM125012;CC1OC1C#CC#N;XBZNZHFKAAXLRB-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125013;MM125013;C=CC#CC1CN1C;VOVXIUHUOKLLKK-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125014;MM125014;CN1CC1C#CC=O;ROKJUJVWMOZJKN-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125015;MM125015;CN1CC1C#CC#N;QEZGCVGPIWNALK-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125016;MM125016;C#CC#CC1CC1C;XKIGNYQVCGRDDH-UHFFFAOYSA-N;104.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125017;MM125017;C#CC#CC1CC1N;XGGWYVKVOKZZIE-UHFFFAOYSA-N;105.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125018;MM125018;C#CC#CC1CC1O;NHJKTOTYLPEHOM-UHFFFAOYSA-N;106.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125019;MM125019;C#CC#CC1CC1F;WEVXBOTYYBACIJ-UHFFFAOYSA-N;108.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125020;MM125020;C#CC#CC1NC1C;DSTKOLPBQWWUDZ-UHFFFAOYSA-N;105.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125021;MM125021;C#CC#CC1OC1C;RTROKQNVEUJLGD-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125022;MM125022;C#CC#CC1CN1C;KAMOYQPGROKKBG-UHFFFAOYSA-N;105.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125023;MM125023;CCC1CC1C(C)C;IZCBDIGVBYNLEJ-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125024;MM125024;CC(C)C1CC1CN;CQEXROJAJIAKFV-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125025;MM125025;C#CC(CF)NC(C)=NO;HIUKDJWAXYEBJS-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125026;MM125026;CC(C)C1CC1CF;ZFIARBMHFVTVOY-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125027;MM125027;CCC1CC1C(C)N;AZRYLRFSNWQASX-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125028;MM125028;CC(N)C1CC1CN;SACZCCUNDGGYIQ-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125029;MM125029;CC(N)C1CC1CO;OWLOYAFOZSDXJC-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125030;MM125030;CC(N)C1CC1CF;IEYXJWGYYNIGRS-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125031;MM125031;C#CC(O)C(=O)N(N)CC;FJGVHMVBECPVII-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125032;MM125032;CC(O)C1CC1CN;UQPMGQXVALJTIS-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125033;MM125033;CC(O)C1CC1CO;WDZUNGDVHAYEKL-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125034;MM125034;CC(O)C1CC1CF;VXRHSNCBOMSDQW-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125035;MM125035;CCC1CC1C(C)F;QNFSBQIIYQUEQJ-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125036;MM125036;CC(F)C1CC1CN;FZGWOLAWOHLWPR-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125037;MM125037;CC(F)C1CC1CO;TYUJSLGSUKQUIP-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125038;MM125038;CC(F)C1CC1CF;PFGJKPZYZYYZBJ-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125039;MM125039;CCC1CC1C(F)F;MAJFQRUKHFKWEW-UHFFFAOYSA-N;120.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125040;MM125040;NCC1CC1C(F)F;PSQQHVRRDBJQHO-UHFFFAOYSA-N;121.13;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125041;MM125041;OCC1CC1C(F)F;RPIKLIIFMWGPPI-UHFFFAOYSA-N;122.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125042;MM125042;CNC1CC1C(C)C;ACMPGDIASVITOX-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125043;MM125043;CNC1CC1C(C)N;BVJJCLBTTYNYHW-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125044;MM125044;CNC1CC1C(C)O;FKKARONYUDJCLC-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125045;MM125045;CNC1CC1C(C)F;QBGLKZDEUKDIMX-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125046;MM125046;CNC1CC1C(F)F;COLDTOFUEDBNCU-UHFFFAOYSA-N;121.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125047;MM125047;COC1CC1C(C)C;MNFWMCTVCYSEJR-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125048;MM125048;COC1CC1C(C)N;NHINEYLLYSTJJF-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125049;MM125049;COC1CC1C(C)O;SZDBAJRTFMFAHU-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125050;MM125050;COC1CC1C(C)F;NBNMLSDDWLTRBM-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125051;MM125051;CCC1CC1N(C)C;VSBKENTXQNAXEG-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125052;MM125052;CN(C)C1CC1CN;KZZKGQWIZPYMFX-UHFFFAOYSA-N;114.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125053;MM125053;CN(C)C1CC1CO;YFTMDSICNVPVAN-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125054;MM125054;CN(C)C1CC1CF;CQUIQRVGYJXTHW-UHFFFAOYSA-N;117.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125055;MM125055;CNC1CC1N(C)C;URWALGYNLFZRCI-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125056;MM125056;COC1CC1N(C)C;MYBRCXMHFOXGLP-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125057;MM125057;CC(C)C1NC1CN;QXIPBBBLAXFAJD-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125058;MM125058;CC(C)C1NC1CF;CMIICUOGMOLXBB-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125059;MM125059;CCC1NC1C(C)N;LHABTVCAQIPRCD-UHFFFAOYSA-N;114.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125060;MM125060;CC(N)C1NC1CN;BBDKFRIGXDNDLV-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125061;MM125061;CC(N)C1NC1CO;PQDMEYPIAXDHTC-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125062;MM125062;CC(N)C1NC1CF;JKTPPTQUZPSKSR-UHFFFAOYSA-N;118.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125063;MM125063;CC(O)C1NC1CN;OJZVMOALMSLJEO-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125064;MM125064;CC(=NO)N(C)C(C)C#N;FBNTVRWHIOZCJI-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125065;MM125065;CCC1NC1C(C)F;LEMXNWVDBCWPLK-UHFFFAOYSA-N;117.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125066;MM125066;CC(F)C1NC1CN;LOTMPXDXSLBZTK-UHFFFAOYSA-N;118.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125067;MM125067;CC(=NO)NC=CNC=O;ALTBJCPTGGKDAX-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125068;MM125068;CC(F)C1NC1CF;HBOHQQSTEAIVEY-UHFFFAOYSA-N;121.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125069;MM125069;CCC1NC1C(F)F;XYIKUDNFLMYECG-UHFFFAOYSA-N;121.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125070;MM125070;NCC1NC1C(F)F;APWYHQQSMFVKNJ-UHFFFAOYSA-N;122.12;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125071;MM125071;C#CC(NCC)C(O)C#N;OMOWJCWIRIWTPU-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125072;MM125072;CCC1OC1C(C)C;HHMAZJBMLHSFKR-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125073;MM125073;CC(C)C1OC1CN;LYMSSXHWQFOJRR-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125074;MM125074;CC(C)C1OC1CO;MRGITZIKRXYSEO-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125075;MM125075;CC(C)C1OC1CF;NUNJDKKITUNYJY-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125076;MM125076;CCC1OC1C(C)N;JJWAKISAXBMACA-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125077;MM125077;CC(N)C1OC1CN;JAAYJGKUTPQIPF-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125078;MM125078;CC(N)C1OC1CO;OWFSRFYWNASWCV-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125079;MM125079;CC(N)C1OC1CF;RYTWJAWTNZHXKB-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125080;MM125080;CCC1OC1C(C)O;IBDPHWNKHSOBOI-UHFFFAOYSA-N;116.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125081;MM125081;CC(O)C1OC1CN;AOTCWUMVBMZUOZ-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125082;MM125082;CC(O)C1OC1CO;YCAJHWULTVISIO-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125083;MM125083;CC(O)C1OC1CF;AWQOQDSXWJMYQN-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125084;MM125084;CCC1OC1C(C)F;BXTFOXYSCGRMPX-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125085;MM125085;CC(F)C1OC1CN;UYZQPZAWOOLNNK-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125086;MM125086;CC(F)C1OC1CO;GOJUQTMOMABENW-UHFFFAOYSA-N;120.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125087;MM125087;CCC1OC1C(F)F;PQJLRXOUPAJAGB-UHFFFAOYSA-N;122.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125088;MM125088;CCN1CC1C(C)N;VEXZWVXFZPBIMA-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125089;MM125089;CCN1CC1C(C)F;VGJOVXKRDNSYHK-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125090;MM125090;CCN1CC1C(F)F;VNKISTMYBPBPRC-UHFFFAOYSA-N;121.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125091;MM125091;CC(C)N1CC1CN;OFVIGPDCRIFARW-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125092;MM125092;CC(C)N1CC1CF;NIVNSPMBXWPOQK-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125093;MM125093;C=CC1CC1C(C)C;NEWLPUBYRRFOKO-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125094;MM125094;CC(C)C1CC1C=O;SWHZPGHARYLCBR-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125095;MM125095;CC(C)C1CC1C#N;BHKWBOSVLCLBQT-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125096;MM125096;C=CC1CC1C(C)N;MYTKSMJAODRNNR-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125097;MM125097;O=CC1(CNC=NO)CO1;JFBNSNKOHKQKQA-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125098;MM125098;CC(O)C1CC1C=O;VIUPUWOESCPXKL-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125099;MM125099;CC(O)C1CC1C#N;FPPUONGDFSMKFH-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125100;MM125100;C=CC1CC1C(C)F;QQFYTWKWNAKNSC-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125101;MM125101;CC(F)C1CC1C=O;BJGBOBRVLRDTCO-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125102;MM125102;CC(F)C1CC1C#N;XIYLWKKFPNIRNW-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125103;MM125103;C=CC1CC1C(F)F;QECDLTSQRZRSTA-UHFFFAOYSA-N;118.13;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125104;MM125104;O=CC1CC1C(F)F;FIHPBZMPGOPXPU-UHFFFAOYSA-N;120.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125105;MM125105;C=CC1CC1N(C)C;OFDYBYWAJMCSES-UHFFFAOYSA-N;111.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125106;MM125106;C#CC1(C(=O)NC=O)CN1;BSOYOZVEZLVQHY-UHFFFAOYSA-N;138.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125107;MM125107;CC(C)C1NC1C#N;WAUXZJGYZZXWDZ-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125108;MM125108;C=CC1NC1C(C)N;PHVFGPZBNLLSSR-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125109;MM125109;N#CC1(O)CNC1;UANYAJXOOSFGOM-UHFFFAOYSA-N;98.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125110;MM125110;CC(N)=CC(C)=NO;JVFCJBCSNQSAGV-UHFFFAOYSA-N;114.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125111;MM125111;C=C(C=CC)C=NO;XFZCTGRNRJUUPT-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125112;MM125112;C=CC1NC1C(C)F;JCKMFBWFCYRIKO-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125113;MM125113;CCC1CC(=O)NN1;PYONGLLKXDHQBB-UHFFFAOYSA-N;114.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125114;MM125114;CC(F)C1NC1C#N;JARQCKYIOMJYQN-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125115;MM125115;C=CC1NC1C(F)F;UWXNIOMCRIQNOL-UHFFFAOYSA-N;119.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125116;MM125116;CC(C)(C)C(=NO)NN;GBXVIWJPQVFMQA-UHFFFAOYSA-N;131.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125117;MM125117;N#CC1NC1C(F)F;IMFZMAAVOHYFTR-UHFFFAOYSA-N;118.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125118;MM125118;C=CC1OC1C(C)C;RFBDBLSVNCYCGP-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125119;MM125119;CC(C)C1OC1C=O;FUCKGPSADJNYQS-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125120;MM125120;CC(C)C1OC1C#N;SEGYKVGTXNCOAK-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125121;MM125121;C=CC1OC1C(C)N;QLPQEQJAVAELDK-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125122;MM125122;C=CC1OC1C(C)O;OWWIGXDXWZIBSG-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125123;MM125123;CC(O)C1OC1C=O;CFIVDYKJZMGTAH-UHFFFAOYSA-N;116.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125124;MM125124;CC(O)C1OC1C#N;TXKXRODTSVPYAC-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125125;MM125125;C=CC1OC1C(C)F;FJNPTCMBSMBFOS-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125126;MM125126;CC(F)C1OC1C=O;ONFYDEKOJWFXNJ-UHFFFAOYSA-N;118.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125127;MM125127;CC(F)C1OC1C#N;QCSJRMUMURRJBB-UHFFFAOYSA-N;115.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125128;MM125128;CC(C)C1CN1C=N;ZMJNTHLQRJBHNX-UHFFFAOYSA-N;112.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125129;MM125129;CC(N)C1CN1C=N;GPAKDHHJVOXSMA-UHFFFAOYSA-N;113.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125130;MM125130;CC(N)C1CN1C=O;LNBJOPWMOIWBAV-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125131;MM125131;CC(O)C1CN1C=N;WCVKTKLECLBZOK-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125132;MM125132;CC(O)C1CN1C=O;SYIHNPDZGBFDBO-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125133;MM125133;CC(F)C1CN1C=N;RJYHQXSVWMBEST-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125134;MM125134;CC(F)C1CN1C=O;PYAPRGVINSWJSX-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125135;MM125135;N=CN1CC1C(F)F;XTLONAXIHHWSBW-UHFFFAOYSA-N;120.1;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125136;MM125136;O=CN1CC1C(F)F;OPKLOSADDFVSPR-UHFFFAOYSA-N;121.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125137;MM125137;C=NN1CC1C(C)C;JVXOBRQYFVBPRP-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125138;MM125138;C=NN1CC1C(C)N;ZILMAOIGYKGUGR-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125139;MM125139;CCN=C(C)NC(C)=O;CYCUMDACDONFQF-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125140;MM125140;C=NN1CC1C(C)F;RLTBBUSSMPQCHW-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125141;MM125141;C=NN1CC1C(F)F;HQJRZJUJWUXHTQ-UHFFFAOYSA-N;120.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125142;MM125142;C=CC(=N)NC(=O)C=C;UNOFHNSRKRMBCZ-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125143;MM125143;CC(C)N1CC1C#N;LWWMXPUFGZOIFI-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125144;MM125144;C#CC1CC1C(C)C;SAXLJLKWDNACLC-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125145;MM125145;C#CC1CC1C(C)N;NJCJCBJJWJPEJL-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125146;MM125146;C#CC(C)C(=O)NC=N;UAERXJWPNZFMEZ-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125147;MM125147;C#CC1CC1C(C)F;WTPIJRCBGVSUHQ-UHFFFAOYSA-N;112.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125148;MM125148;C#CC1CC1C(F)F;NXKKJVXNEOHJCI-UHFFFAOYSA-N;116.11;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125149;MM125149;C#CC1CC1N(C)C;CDBUVHZEEQRZCY-UHFFFAOYSA-N;109.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125150;MM125150;C#CC1NC1C(C)C;CPSCJVOREGNBQP-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125151;MM125151;C#CC1NC1C(C)N;NRVMGUWTWGTGKI-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125152;MM125152;C=C(CC)N(N)C=NO;NZQNKZXDVKMVFF-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125153;MM125153;C#CC1NC1C(C)F;LMBHDVRUOLVDKU-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125154;MM125154;C#CC1NC1C(F)F;KBCAZYOXCOKWEB-UHFFFAOYSA-N;117.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125155;MM125155;C#CC1OC1C(C)C;SDWNXSYJHCTDSZ-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125156;MM125156;C#CC1OC1C(C)N;XNMURWDRSPWMEB-UHFFFAOYSA-N;111.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125157;MM125157;C#CC1OC1C(C)O;GCLOWMXUKSQIQJ-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125158;MM125158;C#CC1OC1C(C)F;KCJGPLWCPWLOGE-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125159;MM125159;C#CC1OC1C(F)F;VSICFWCYQVHDGH-UHFFFAOYSA-N;118.08;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125160;MM125160;C#CC1CN1C(C)C;OQTRVKRDZCNYJX-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125161;MM125161;C=C(C)C1CC1CC;IEUDOQBJQRWVCL-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125162;MM125162;C=C(C)C1CC1CN;FLORUQAPBZACBJ-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125163;MM125163;C=CC=C(C)C(C)=NO;WHPNFROPQZOPDR-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125164;MM125164;C=C(C)C1CC1CF;QJYSWCOTLWISSI-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125165;MM125165;CCC1CC1C(C)=O;OSSWVCMXIDMRMO-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125166;MM125166;CC(=O)C1CC1CO;UDEQWTRHJXJBOU-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125167;MM125167;CC(=O)C1CC1CF;PKCWIZVNRAHRKL-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125168;MM125168;CCC1CC1C(=N)N;FEEVSHHWOBSDBA-UHFFFAOYSA-N;112.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125169;MM125169;N=C(N)C1CC1CN;SFXLUYFAGWAKCG-UHFFFAOYSA-N;113.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125170;MM125170;N=C(N)C1CC1CO;RBTZIXJFJQXFEE-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125171;MM125171;N=C(N)C1CC1CF;KORKLPDORHEOFA-UHFFFAOYSA-N;116.14;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125172;MM125172;CC=C(C=NO)C(C)C;XITPCZTWRVMLOO-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125173;MM125173;NCC1CC1C(N)=O;RXVKPMJNVJCLEU-UHFFFAOYSA-N;114.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125174;MM125174;NC(=O)C1CC1CO;OLFNDDXMQSSHFK-UHFFFAOYSA-N;115.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125175;MM125175;NC(=O)C1CC1CF;NWRJXJWBPKFOFQ-UHFFFAOYSA-N;117.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125176;MM125176;CCC1CC1C(=O)O;NEZWQTAIJWQNHI-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125177;MM125177;CCN=c1[nH]oc(=NO)o1;LGROOERAVUSQOB-UHFFFAOYSA-N;145.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125178;MM125178;O=C(O)C1CC1CF;UGMUWEAHMRSJRQ-UHFFFAOYSA-N;118.11;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125179;MM125179;C=C(F)C1CC1CC;IGXBDQSGDQUWTD-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125180;MM125180;C=C(F)C1CC1CN;DFTCRGQMYWOAAG-UHFFFAOYSA-N;115.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125181;MM125181;C=C(F)C1CC1CO;UQUYVGPEVZRAGB-UHFFFAOYSA-N;116.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125182;MM125182;C=C(F)C1CC1CF;KSWSMPBCUXKSFT-UHFFFAOYSA-N;118.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125183;MM125183;C=C(C)C1CC1NC;SDAIMOVWGVEPLY-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125184;MM125184;CNC1CC1C(C)=O;NTKKYDYSSKFSFV-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125185;MM125185;CNC1CC1C(=N)N;STEZLNRSBKUSSA-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125186;MM125186;CNC1CC1C(N)=O;WYVKRFIJQXASSO-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125187;MM125187;C=C(F)C1CC1NC;TZYICPWFRLMNBJ-UHFFFAOYSA-N;115.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125188;MM125188;C=C(C)C1CC1OC;HALROMCDWJKSSI-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125189;MM125189;COC1CC1C(C)=O;DZPZZOWOSIQAFV-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125190;MM125190;COC1CC1C(=N)N;WRCSAXYTFRCVBB-UHFFFAOYSA-N;114.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125191;MM125191;COC1CC1C(N)=O;JICFKYCCMDORAD-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125192;MM125192;Cc1c(F)n(O)c(=O)n1C;XUPPHLUCLMLQMR-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125193;MM125193;C=C(F)C1CC1OC;GVDQWXQDAJTEPH-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125194;MM125194;C=C(C)C1NC1CN;QXKBLLYOCXHNLG-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125195;MM125195;CC1=NN=C(NN)C1C;YESXUKWOSUUCMC-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125196;MM125196;C=C(C)C1NC1CF;LUPSAHHRKYZEKD-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125197;MM125197;COC1=NN=C(NN)C1;ZRWFSZIACGFBIL-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125198;MM125198;CNNC(=O)C(C)(O)CO;LFXQFUMQKWGPCI-UHFFFAOYSA-N;148.16;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125199;MM125199;CC(CC(C)C(C)C)=NO;BFDNTRPCMUMASG-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125200;MM125200;CCC1NC1C(=N)N;RGBALULOBVGNBN-UHFFFAOYSA-N;113.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125201;MM125201;N=C(N)C1NC1CN;LYOHVONWPOQNNH-UHFFFAOYSA-N;114.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125202;MM125202;N=C(N)C1NC1CO;OMZQXBOSAORYKG-UHFFFAOYSA-N;115.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125203;MM125203;N=C(N)C1NC1CF;TZZLWPPVDCCGGN-UHFFFAOYSA-N;117.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125204;MM125204;CN(C=O)CC(=O)NC=N;CQRBNZQVRGPIIN-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125205;MM125205;NCC1NC1C(N)=O;BFTUJXDNCZFBPI-UHFFFAOYSA-N;115.14;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125206;MM125206;Nc1c(C=O)oc(=O)n1O;BNNJVWAXBHONLL-UHFFFAOYSA-N;144.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125207;MM125207;Cn1c(F)c(O)c(=O)n1O;SIDAMLVUNGIESJ-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125208;MM125208;C=C(F)C1NC1CC;YLVGNYHXANZMKK-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125209;MM125209;C=C(F)C1NC1CN;HTORPWONENGDSO-UHFFFAOYSA-N;116.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125210;MM125210;CCCC(C)CC(C)=NO;KKNWJKVZGDKHSD-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125211;MM125211;C=C(C)C1OC1CC;HNRWERJJALCLQB-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125212;MM125212;C=C(C)C1OC1CN;GAKPSAYWUZMSDJ-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125213;MM125213;C=C(C)C1OC1CO;FKIWTQWSCFVKMA-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125214;MM125214;CCC1OC1C(C)=O;MXXCXQDATRPYND-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125215;MM125215;CCC1OC1C(=N)N;CWCNHYAPBCYCDK-UHFFFAOYSA-N;114.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125216;MM125216;N=C(N)C1OC1CN;ZUTBKUHXTXHRMD-UHFFFAOYSA-N;115.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125217;MM125217;N=C(N)C1OC1CO;JREUEPDVJZEDHY-UHFFFAOYSA-N;116.12;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125218;MM125218;N=C(N)C1OC1CF;PFVSIXNLJXNECN-UHFFFAOYSA-N;118.11;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125219;MM125219;CCC1OC1C(N)=O;VBDABCHRNHZWBP-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125220;MM125220;NCC1OC1C(N)=O;SHYFHWZCERWKQQ-UHFFFAOYSA-N;116.12;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125221;MM125221;NC(=O)C1OC1CO;OEYNCQONTYEYKI-UHFFFAOYSA-N;117.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125222;MM125222;NC(=O)C1OC1CF;HCPBCXPQKRXIQS-UHFFFAOYSA-N;119.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125223;MM125223;Nc1c(O)cn(O)c1F;MHCHURQDXMZULS-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125224;MM125224;C#Cc1ccn(O)c(=O)n1;LKCNRJTXWMNTCL-UHFFFAOYSA-N;136.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125225;MM125225;C=C(F)C1OC1CC;PYGUZFGIERMFJB-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125226;MM125226;C=C(F)C1OC1CN;ZAMXTVBSHPJHLN-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125227;MM125227;C=C(C)C1CN1CC;JXUUZFZGBLVSJF-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125228;MM125228;C=CC(N)=CC(=N)NC=O;VSLCXKBXGPOSAA-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125229;MM125229;CCN1CC1C(=N)N;PWHSRJKHYJYROY-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125230;MM125230;CC(=O)NC(=O)C(N)CO;FOOYOLJJLOKDPB-UHFFFAOYSA-N;146.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125231;MM125231;Cn1c(N)nn(O)c1=O;CBMPTPLPEHAFSR-UHFFFAOYSA-N;130.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125232;MM125232;C=C(F)C1CN1CC;WHVXDGJQDNDLEN-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125233;MM125233;CCC1CN1C(C)=N;BBWPIIBFYGACMX-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125234;MM125234;CC(=N)N1CC1CN;SMBVGNKITOQBQR-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125235;MM125235;CC(=N)N1CC1CO;UMIREWXRNJEQPH-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125236;MM125236;CC(=N)N1CC1CF;QNNCTUKHTIIDAY-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125237;MM125237;CCC1CN1C(C)=O;PSKLKNBEVYHIEJ-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125238;MM125238;CC(=O)N1CC1CN;ZBRFBBWETKTWTH-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125239;MM125239;CC(=O)N1CC1CO;QSHLMIIFBQPMBH-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125240;MM125240;CC(=O)N1CC1CF;PZZPNUUVBRNBJE-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125241;MM125241;CCC1CN1C(=N)N;DJVLJECWQSVTDS-UHFFFAOYSA-N;113.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125242;MM125242;N=C(N)N1CC1CN;UBQCLPJTAKZIDL-UHFFFAOYSA-N;114.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125243;MM125243;N=C(N)N1CC1CO;UBMPKNZBLJZWRU-UHFFFAOYSA-N;115.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125244;MM125244;N=C(N)N1CC1CF;WSGPEMGJTUYBHR-UHFFFAOYSA-N;117.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125245;MM125245;CCC1CN1C(N)=O;IGHXOMPYIQRIRU-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125246;MM125246;NCC1CN1C(N)=O;QCPYESWJUHYQTQ-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125247;MM125247;NC(=O)N1CC1CO;JFBAZIMRLQXKIM-UHFFFAOYSA-N;116.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125248;MM125248;NC(=O)N1CC1CF;NYQUCEVVGBKZFI-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125249;MM125249;C=CC1CC1C(=C)C;DWRNRNYCDSCMLS-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125250;MM125250;C=C(C)C1CC1C=O;NUBIUCDKEFZXAY-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125251;MM125251;C=C(C)C1CC1C#N;CPROOEGTSQBHDQ-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125252;MM125252;C=CC1CC1C(C)=O;PJZNWOZWRMDBHQ-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125253;MM125253;CC(=O)C1CC1C=O;ZFEDDULOQJIZJU-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125254;MM125254;CC(=O)C1CC1C#N;XZVBXESTSCGHAN-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125255;MM125255;C=CC1CC1C(=N)N;UUIWXCDLWMVRCZ-UHFFFAOYSA-N;110.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125256;MM125256;N=C(N)C1CC1C=O;PXVPFYSBVYNOCW-UHFFFAOYSA-N;112.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125257;MM125257;N#CC1CC1C(=N)N;UESXFDHINUWORA-UHFFFAOYSA-N;109.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125258;MM125258;C=C(CO)C(=O)NC(C)=N;YJJZTSBBKKXAIZ-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125259;MM125259;NC(=O)C1CC1C=O;CDSITVFNYPVBOY-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125260;MM125260;N#CC1CC1C(N)=O;FRWRFJHQQILMLZ-UHFFFAOYSA-N;110.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125261;MM125261;C=CC1CC1C(=O)O;RITCJGIGTNSDKO-UHFFFAOYSA-N;112.13;0.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125262;MM125262;CNc1ccn(O)c(=O)n1;LKXFOPGQOWBTRE-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125263;MM125263;N#CC1CC1C(=O)O;MFCBCXRMDAOFOT-UHFFFAOYSA-N;111.1;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125264;MM125264;C=CC1CC1C(=C)F;ZWYHOCQWJCZZGO-UHFFFAOYSA-N;112.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125265;MM125265;C=C(F)C1CC1C=O;XBDZVEVOTSAXKB-UHFFFAOYSA-N;114.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125266;MM125266;C=C(F)C1CC1C#N;VGWVAOQBYIEWFB-UHFFFAOYSA-N;111.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125267;MM125267;C=CC1NC1C(=C)C;QAPPDAQGSVBJGJ-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125268;MM125268;CNNC(=O)NOC=NN;LUFPZAXPJZZOIC-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125269;MM125269;C=C(C)C1NC1C#N;PNMZWEXTPXVAGY-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125270;MM125270;N#CC#CCC(=O)NC=N;SHMXPYSUWVHVMR-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125271;MM125271;CCC#CCN(N)C=NO;UXOZAJXHFYDMAK-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125272;MM125272;C=C(C#CC)C(=O)NC=N;IOBDMYUVQDJRNZ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125273;MM125273;C=CC1NC1C(=N)N;SQCXPOAMHXEDQC-UHFFFAOYSA-N;111.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125274;MM125274;N=C(N)C1NC1C=O;GJUSFZYKKHAMHR-UHFFFAOYSA-N;113.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125275;MM125275;N#CC1NC1C(=N)N;MJEDNXNGEIITMY-UHFFFAOYSA-N;110.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125276;MM125276;C#CC(F)CNC(C)=NO;GXSZOFBZJCCSSN-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125277;MM125277;CCC(CC)CC(C)=NO;DRZMKVQWZNRHIU-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125278;MM125278;C#CC#CC(=C)C(=O)NN;VNIMFMZEULUJQA-UHFFFAOYSA-N;134.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125279;MM125279;O=c1on(C=NO)nc1O;PKQWLBUNLBEOCY-UHFFFAOYSA-N;145.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125280;MM125280;CCc1cnn(O)c(=O)c1;PKKJDTZFMMOOHA-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125281;MM125281;Cc1nc(=O)n(O)cc1N;PCUYANPKEFEHGR-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125282;MM125282;C=CC1NC1C(=C)F;GUJSNBZMITYNBR-UHFFFAOYSA-N;113.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125283;MM125283;CN(C=N)N=CONC=O;WFFIXQFLGOQDTO-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125284;MM125284;C=C(F)C1NC1C#N;PKGFFVQVIPBJSF-UHFFFAOYSA-N;112.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125285;MM125285;C=CC1OC1C(=C)C;NHXOTQJRULERDG-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125286;MM125286;C=C(C)C1OC1C=O;ANEZTNGAQHKFJN-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125287;MM125287;C=C(C)C1OC1C#N;KBIXCDSWDIKYKE-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125288;MM125288;C=CC1OC1C(C)=O;QZBDHAIHGOAVRN-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125289;MM125289;CC(=O)C1OC1C=O;WKTXRZZQUYRLGE-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125290;MM125290;CC(=O)C1OC1C#N;ICRHIABZGGYFGL-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125291;MM125291;C=CC1OC1C(=N)N;XBNBQEVJKQKKFT-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125292;MM125292;N=C(N)C1OC1C=O;BLESGIVLDIXKTF-UHFFFAOYSA-N;114.1;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125293;MM125293;N#CC1OC1C(=N)N;HUNSFEJCNXNVDN-UHFFFAOYSA-N;111.1;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125294;MM125294;C=CC1OC1C(N)=O;FTKLLTRRWQTISF-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125295;MM125295;NC(=O)C1OC1C=O;SIATYDLNIOBSLR-UHFFFAOYSA-N;115.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125296;MM125296;N#CC1OC1C(N)=O;RETIWUJCZCFTPS-UHFFFAOYSA-N;112.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125297;MM125297;CC#Cc1nc(O)no1;SAJFPTCDIFVVJL-UHFFFAOYSA-N;124.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125298;MM125298;O=C1C=C(CO)CO1;CHSMEYAHRFTDFX-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125299;MM125299;Cc1coc(C#N)c1O;NDMBXDJTDRONJB-UHFFFAOYSA-N;123.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125300;MM125300;C=CC1OC1C(=C)F;FBZOFLSIXPAYAN-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125301;MM125301;C=C(F)C1OC1C=O;ULYOCJSQAHIMPH-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125302;MM125302;C=C(F)C1OC1C#N;WISWPMXXTZQPBH-UHFFFAOYSA-N;113.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125303;MM125303;C=C(C)C1CN1C=N;SZQHGPNCVMIQSF-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125304;MM125304;C=C(C)C1CN1C=O;ZPKFTOWZTMFVOA-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125305;MM125305;CC(=O)C1CN1C=N;LIJORPDGSNYLJL-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125306;MM125306;C#CC1(O)CC1NC=NO;VRBHQQMMCKGBQY-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125307;MM125307;N=CN1CC1C(=N)N;NFAFDLNXZDEEKW-UHFFFAOYSA-N;112.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125308;MM125308;N=C(N)C1CN1C=O;KEZBXWVXZADBHQ-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125309;MM125309;N=CN1CC1C(N)=O;IHBKHGKARYNJQI-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125310;MM125310;NC(=O)C1CN1C=O;KGYKYZLNDOUZEV-UHFFFAOYSA-N;114.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125311;MM125311;Nc1c(O)coc1C=O;WQUYDCUZWGSGPT-UHFFFAOYSA-N;127.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125312;MM125312;C=C(F)C1CN1C=N;UAXKZHOZICNLIS-UHFFFAOYSA-N;114.12;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125313;MM125313;C=C(F)C1CN1C=O;FGCOLVWQAXJSIS-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125314;MM125314;C=NN1CC1C(=C)C;BVSUURBCAXAMER-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125315;MM125315;C=NNC(=NO)NC=NN;PKKODGVCUJAKJH-UHFFFAOYSA-N;144.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125316;MM125316;C=NN1CC1C(=N)N;MPAKARNWIOBSPM-UHFFFAOYSA-N;112.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125317;MM125317;C=CN(C=N)C(=O)NC=O;HRHKUVSQRDVQMP-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125318;MM125318;Nc1nncc(=O)c(=O)[nH]1;FEKBGSWBEVQGMT-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125319;MM125319;C=NN1CC1C(=C)F;MZPMKOXZULTJBA-UHFFFAOYSA-N;114.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125320;MM125320;C=CC1CN1C(C)=N;AJJJGTGTWXCKFW-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125321;MM125321;CC(=N)N1CC1C=O;RSNSHXKHPJVPMW-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125322;MM125322;CC(=N)N1CC1C#N;HYESRCXFLSPQEQ-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125323;MM125323;C=CC1CN1C(C)=O;XWKZNCYNCRNNMI-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125324;MM125324;CC(=O)N1CC1C=O;LFSAMVJWASOHFT-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125325;MM125325;CC(=O)N1CC1C#N;BFIDPVUMWNTARG-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125326;MM125326;C=CC1CN1C(=N)N;MZYRQJQPWFDWFA-UHFFFAOYSA-N;111.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125327;MM125327;N=C(N)N1CC1C=O;LDWRDIMLMUKGQL-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125328;MM125328;N#CC1CN1C(=N)N;IDDDYZCTCUTTQO-UHFFFAOYSA-N;110.12;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125329;MM125329;C=CC1CN1C(N)=O;YRYMNLUEYQLOHB-UHFFFAOYSA-N;112.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125330;MM125330;NC(=O)N1CC1C=O;XXZMBNOOWTYQRM-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125331;MM125331;N#CC1CN1C(N)=O;RMSRKYVNQYEPHO-UHFFFAOYSA-N;111.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125332;MM125332;C#CC1CC1C(=C)C;PPFAKDNFCRXRTD-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125333;MM125333;C#CC1CC1C(C)=O;CMAZGANQWGQXRI-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125334;MM125334;C#CC1CC1C(=N)N;KVKWGFZUZDQQKF-UHFFFAOYSA-N;108.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125335;MM125335;C#CC1CC1C(N)=O;IELYCPIEPLWMGZ-UHFFFAOYSA-N;109.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125336;MM125336;C#CC1CC1C(=O)O;WAOURCILMTVHBE-UHFFFAOYSA-N;110.11;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125337;MM125337;C#CC1CC1C(=C)F;NULCOBKVQILWFI-UHFFFAOYSA-N;110.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125338;MM125338;C#CC1NC1C(=C)C;CDPJAGOLKFTNEB-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125339;MM125339;CN(NC=O)C(=NO)NO;HJQWBVZVQAHAED-UHFFFAOYSA-N;148.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125340;MM125340;C#CC1NC1C(=N)N;QITHLXCXTKAYGW-UHFFFAOYSA-N;109.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125341;MM125341;CN(OC=O)C(=NO)NN;AJUQIFBOWKWHAO-UHFFFAOYSA-N;148.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125342;MM125342;Cn1c(=N)ncn(O)c1=O;KKRDMQZJLMTLQS-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125343;MM125343;C#CC1NC1C(=C)F;IOFOXURDCOXNDM-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125344;MM125344;C#CC1OC1C(=C)C;XQLHKAYTDIWRDS-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125345;MM125345;C#CC1OC1C(C)=O;URKCQIDCUZDYGW-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125346;MM125346;C#CC1OC1C(=N)N;QYRHIHKVAAESDD-UHFFFAOYSA-N;110.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125347;MM125347;C#CC1OC1C(N)=O;QJBMZBAMSSPEAJ-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125348;MM125348;On1ncc(F)c1F;LSGRTWRCYYCPFO-UHFFFAOYSA-N;120.06;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125349;MM125349;C#CC1OC1C(=C)F;AOLGVFBUHGUZOM-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125350;MM125350;C#CC1CN1C(C)=N;UOWHKIRGRVQCGP-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125351;MM125351;C#CC1CN1C(C)=O;ZZYLRADOHBHFCV-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125352;MM125352;C#CC1CN1C(=N)N;CCCJOEGTKZYHBD-UHFFFAOYSA-N;109.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125353;MM125353;C#CC1CN1C(N)=O;NPBXXDMMDDRENS-UHFFFAOYSA-N;110.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125354;MM125354;CC(C)C1C(C)C1C;FGQBJAZDZXBHNA-UHFFFAOYSA-N;112.22;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125355;MM125355;CC(N)C1C(C)C1C;KCFZKICOMYUCSW-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125356;MM125356;C=CC(=NO)C(=C)COC;GMCBFBOPKCNWMA-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125357;MM125357;CC(F)C1C(C)C1C;CKILMJKSHBCXMH-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125358;MM125358;CC1C(C)C1C(F)F;XWMXZYZRUZUWSU-UHFFFAOYSA-N;120.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125359;MM125359;CC(C)C1C(C)C1N;ICXLMJKGWVMVNG-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125360;MM125360;CC(N)C1C(C)C1N;VYCAHKVGARXDBD-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125361;MM125361;CC(O)C1C(C)C1N;VTQJUVSIFKCICX-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125362;MM125362;CC(F)C1C(C)C1N;IVAURRLECNCRFG-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125363;MM125363;CC1C(N)C1C(F)F;HAPJBHXNUPMJTA-UHFFFAOYSA-N;121.13;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125364;MM125364;CCCC(C)=NO;FWSXGNXGAJUIPS-UHFFFAOYSA-N;101.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125365;MM125365;CC(N)C1C(C)C1O;CENPXWQUBWKPEF-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125366;MM125366;CC(O)C1C(C)C1O;FEYIWZQXWDHGMY-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125367;MM125367;CC(F)C1C(C)C1O;KFBVQJIUCWNLFE-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125368;MM125368;CC1C(O)C1C(F)F;VPQXAQBMVIFYFB-UHFFFAOYSA-N;122.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125369;MM125369;CC(C)C1C(C)C1F;HRDLSBQVCCDPHN-UHFFFAOYSA-N;116.18;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125370;MM125370;CC(N)C1C(C)C1F;BUYFXVSANOWPHX-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125371;MM125371;CC(O)C1C(C)C1F;XDZPQRSCTXSSFH-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125372;MM125372;CC(F)C1C(C)C1F;ZCDQRUCJXPBSIU-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125373;MM125373;CC(C)C1C(N)C1N;BDYHWRYEEAVRSE-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125374;MM125374;CC(N)C1C(N)C1N;VDGHCPZJHFPVIJ-UHFFFAOYSA-N;115.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125375;MM125375;CC(O)C1C(N)C1N;MKEVYOAVZWFDCN-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125376;MM125376;CC(F)C1C(N)C1N;RLNCBVAEPKVZCL-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125377;MM125377;NC1C(N)C1C(F)F;ZDKZNBXXAZCBCT-UHFFFAOYSA-N;122.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125378;MM125378;CC(C)C1C(N)C1O;ZFMHEKAKFTUYIC-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125379;MM125379;CC(N)C1C(N)C1O;ATHOMCZXUHUOMF-UHFFFAOYSA-N;116.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125380;MM125380;CC(O)C1C(N)C1O;HOVVZQNMNFNRDD-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125381;MM125381;NC1C(O)C1C(F)F;USROJHUOFCMALD-UHFFFAOYSA-N;123.1;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125382;MM125382;CC(C)C1C(N)C1F;HJQSGAPVUKVLSD-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125383;MM125383;CC(N)C1C(N)C1F;UICFPWLJVHLFEH-UHFFFAOYSA-N;118.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125384;MM125384;CC(F)C1C(N)C1F;CHUUFSYEDFOXOO-UHFFFAOYSA-N;121.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125385;MM125385;NC1C(F)C1C(F)F;QCSVGUKOOLQCFY-UHFFFAOYSA-N;125.09;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125386;MM125386;CC(C)C1C(O)C1O;SDVWEQPJCBQVEV-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125387;MM125387;CC(N)C1C(O)C1O;QZWJSCCFCJOJEQ-UHFFFAOYSA-N;117.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125388;MM125388;CC(C)C1C(O)C1F;OCMUDVLLSODCHC-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125389;MM125389;CC(N)C1C(O)C1F;PCVVYWOEDCZJCI-UHFFFAOYSA-N;119.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125390;MM125390;CC(O)C1C(O)C1F;KONXMLHKXGLMAQ-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125391;MM125391;CC(C)C1C(F)C1F;RSZLFTVSPACEPI-UHFFFAOYSA-N;120.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125392;MM125392;CC(O)C1C(F)C1F;AJNSFGYLPAHRKN-UHFFFAOYSA-N;122.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125393;MM125393;CC1C(C)C1N(C)C;QBQKOXQCGZWZTH-UHFFFAOYSA-N;113.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125394;MM125394;CC1C(N)C1N(C)C;RDYUQJILIMXFHG-UHFFFAOYSA-N;114.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125395;MM125395;CC1C(O)C1N(C)C;BVIUMFFPCFVEDL-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125396;MM125396;CN(C)C1C(N)C1N;QNUMDBXFDNDKKU-UHFFFAOYSA-N;115.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125397;MM125397;CN(C)C1C(N)C1O;VLIRCOMEEYXYDT-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125398;MM125398;CC(N)C1C(C)N1C;XSJVBIBJRFXZJE-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125399;MM125399;CC(F)C1C(C)N1C;ILMDQASVFOOVMO-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125400;MM125400;CC1C(C(F)F)N1C;RNGAFZYUPAJYNK-UHFFFAOYSA-N;121.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125401;MM125401;C=C(C)C1C(C)C1C;OPHDDNHZEUGREK-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125402;MM125402;CC(=O)C1C(C)C1C;VVBKLHBCYMRECH-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125403;MM125403;CC1C(C)C1C(=N)N;JPTMZBOGWVKUPG-UHFFFAOYSA-N;112.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125404;MM125404;CC=C(C)C=NO;XUJRIQCLSRINJB-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125405;MM125405;CC1C(C)C1C(=O)O;VEQMUQZKBLIXLT-UHFFFAOYSA-N;114.14;0.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125406;MM125406;C=C(F)C1C(C)C1C;YBGUNZLHACBZSI-UHFFFAOYSA-N;114.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125407;MM125407;C=C(C)C1C(C)C1N;IZSUEELDABQVIB-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125408;MM125408;CC1C(N)C1C(=N)N;WSWDFKAODFYTNQ-UHFFFAOYSA-N;113.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125409;MM125409;CC1C(N)C1C(N)=O;PIUOJPTXDOFAJJ-UHFFFAOYSA-N;114.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125410;MM125410;C=C(F)C1C(C)C1N;FGFALRZBELXOGD-UHFFFAOYSA-N;115.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125411;MM125411;ON=CNCCF;VBGQZBKIBHRAFJ-UHFFFAOYSA-N;106.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125412;MM125412;CC(=O)C1C(C)C1O;GYABNJIEWUQTLF-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125413;MM125413;CC1C(O)C1C(=N)N;SXOAUGYSGLDTTM-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125414;MM125414;CC1C(O)C1C(N)=O;OWSJCEGIVZVIHY-UHFFFAOYSA-N;115.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125415;MM125415;C=C(C)C(C)C(C#N)=NO;BHMNQTRGRRLHPU-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125416;MM125416;C=C(F)C1C(C)C1O;JJCICONFSQOLEX-UHFFFAOYSA-N;116.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125417;MM125417;C=C(C)C1C(C)C1F;CAFVWEWKVPZTNW-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125418;MM125418;CC(=O)C1C(C)C1F;UJSQCSMYDHFEEF-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125419;MM125419;CC1C(F)C1C(=N)N;QHOHXMBGFRFZNX-UHFFFAOYSA-N;116.14;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125420;MM125420;CC1C(F)C1C(=O)O;AVPTWLNWTNTZAV-UHFFFAOYSA-N;118.11;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125421;MM125421;C=C(F)C1C(C)C1F;YZUMBQWNDVXGLG-UHFFFAOYSA-N;118.13;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125422;MM125422;C=C(C)C1C(N)C1N;XDOAMHDZKVHDJL-UHFFFAOYSA-N;112.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125423;MM125423;N=C(N)C1C(N)C1N;XUFRMHXFWBSYGS-UHFFFAOYSA-N;114.15;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125424;MM125424;NC(=O)C1C(N)C1N;JAWJTGOCKJUTHD-UHFFFAOYSA-N;115.14;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125425;MM125425;C=C(F)C1C(N)C1N;DQRFXYYSYFRWBD-UHFFFAOYSA-N;116.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125426;MM125426;C=C(C)C1C(N)C1O;JNQUCBBAEKDKON-UHFFFAOYSA-N;113.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125427;MM125427;N=C(N)C1C(N)C1O;DHZWRUQAYPNISE-UHFFFAOYSA-N;115.14;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125428;MM125428;C=C(F)C1C(N)C1O;LUBSQUCFFGKHAM-UHFFFAOYSA-N;117.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125429;MM125429;C=C(C)C1C(N)C1F;MSDYWWKTIGYPRI-UHFFFAOYSA-N;115.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125430;MM125430;N=C(N)C1C(N)C1F;YDFCQKSACSNHJO-UHFFFAOYSA-N;117.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125431;MM125431;C=C(C)C1C(O)C1O;DSFGYBREFVTIEK-UHFFFAOYSA-N;114.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125432;MM125432;Cc1nn[nH]n1;XZGLNCKSNVGDNX-UHFFFAOYSA-N;84.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125433;MM125433;C=C(F)C1C(O)C1O;JSQRKEVUDDPINA-UHFFFAOYSA-N;118.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125434;MM125434;CC(=O)C1C(O)C1F;QXAVKARBLOPNLQ-UHFFFAOYSA-N;118.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125435;MM125435;N=C(N)C1C(O)C1F;KMENSRYOCUTHQR-UHFFFAOYSA-N;118.11;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125436;MM125436;C=C(C)C1C(F)C1F;FDWGSSROTMZCQZ-UHFFFAOYSA-N;118.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125437;MM125437;NC(=O)C1C(F)C1F;OXULYXKXNKYQJM-UHFFFAOYSA-N;121.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125438;MM125438;C=C(F)C1C(F)C1F;KXYYIQDHLDWGGD-UHFFFAOYSA-N;122.09;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125439;MM125439;C=C(C)C1C(C)N1C;FTHVGXQGMVODSI-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125440;MM125440;CC=C(C=NO)CC;JUVBQYKTHILPPI-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125441;MM125441;CC1C(C(=N)N)N1C;BBDADEWMQOHXRP-UHFFFAOYSA-N;113.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125442;MM125442;CC1CC(=NO)NN1;VMJNMZVBLMVFNO-UHFFFAOYSA-N;115.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125443;MM125443;C=Cn1nnc(N)c1O;DNFACCGYQBNIJK-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125444;MM125444;C=C(F)C1C(C)N1C;ZWLBQHRLYUEAHZ-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125445;MM125445;CC(=N)N1C(C)C1C;FMHJJQFDZDGXEV-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125446;MM125446;CC(=O)N1C(C)C1C;MCAFENVQYOXLAW-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125447;MM125447;CC1C(C)N1C(=N)N;JTELDFRFFZQIRG-UHFFFAOYSA-N;113.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125448;MM125448;CC1C(C)N1C(N)=O;QBESIFZOVPIFEQ-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125449;MM125449;NC1CC2C(N)C2C1;VGKRMGVQDQNCLO-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125450;MM125450;NC1C2CC(F)CC12;FIJAEZLMZHTVMV-UHFFFAOYSA-N;115.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125451;MM125451;CC1C2CN(C)CC12;PUNQAKRTCARMNP-UHFFFAOYSA-N;111.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125452;MM125452;CN1CC2C(N)C2C1;YSRSYYHGSQMAFV-UHFFFAOYSA-N;112.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125453;MM125453;CN1CC2C(O)C2C1;ACIOKCSWNAXBEQ-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125454;MM125454;CC1CC2C(C1)N2C;BVHURSOPZAUUBO-UHFFFAOYSA-N;111.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125455;MM125455;Cc1c[nH]c(C=O)n1;AEYQOYLTLFOCHR-UHFFFAOYSA-N;110.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125456;MM125456;CN1C2CC(F)CC21;NSGIKJSHXSFEGA-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125457;MM125457;CN1CC2C(C1)N2C;QRIFUCFOJAYQOP-UHFFFAOYSA-N;112.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125458;MM125458;C=C1CC2C(N)C2C1;RANLZGYNQKETTD-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125459;MM125459;C=C(C=NO)C=C(C)C;PZCBJRYASLFLJS-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125460;MM125460;O=C1CC2C(O)C2C1;LXAMCVXGGIAFHG-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125461;MM125461;C=C1CC2C(F)C2C1;QOASRLBXPZNWOS-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125462;MM125462;O=C1CC2C(F)C2C1;LNYXSCIFHNXHGY-UHFFFAOYSA-N;114.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125463;MM125463;CC1C2CC(=N)NC12;IJUKBRBKLVTHOY-UHFFFAOYSA-N;110.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125464;MM125464;CC1C2CC(=O)NC12;KDQCDWTWUMWELG-UHFFFAOYSA-N;111.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125465;MM125465;N=C1CC2C(N)C2N1;PYXQQPZKVAHMRJ-UHFFFAOYSA-N;111.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125466;MM125466;NC1C2CC(=O)NC12;SKMWBVIASBNWQR-UHFFFAOYSA-N;112.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125467;MM125467;N=C1CC2C(O)C2N1;QIXDGASBYXMGKO-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125468;MM125468;O=C1CC2C(O)C2N1;NFSNSWMGWYCMBX-UHFFFAOYSA-N;113.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125469;MM125469;N=C1CC2C(F)C2N1;OGDQMARDTIMHKH-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125470;MM125470;C=C1CC2C(C)C2O1;YTNFBNQOKKYSIF-UHFFFAOYSA-N;110.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125471;MM125471;CC1C2CC(=O)OC12;WZEXFMUAIUZSNZ-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125472;MM125472;C=C1CC2C(N)C2O1;GXJVOQRKYCGVJR-UHFFFAOYSA-N;111.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125473;MM125473;NC1C2CC(=O)OC12;XLOFEAHDZPAURP-UHFFFAOYSA-N;113.12;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125474;MM125474;C=C1CC2C(O)C2O1;XJZRQLHWCKPDQO-UHFFFAOYSA-N;112.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125475;MM125475;O=C1CC2C(F)C2O1;LUJOWVNWFLJSOF-UHFFFAOYSA-N;116.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125476;MM125476;C=C1CC2C(C1)N2C;WTFMMPMFPITKTH-UHFFFAOYSA-N;109.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125477;MM125477;CC1C(=O)NNC1(C)C;IQVHJDUDCQHNSG-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125478;MM125478;CC1C2CC(=N)NN12;BFMILYKRWVKIAF-UHFFFAOYSA-N;111.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125479;MM125479;CC1C2CC(=O)NN12;KXCCVRWLCIKTEO-UHFFFAOYSA-N;112.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125480;MM125480;CC1=CC2C(C)C2C1;BUMCRDJTAPQUTO-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125481;MM125481;CC1C2C=C(F)CC12;VOCFFMCIKCLMEF-UHFFFAOYSA-N;112.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125482;MM125482;CC1=CC2C(N)C2C1;KYLAHIGVBWHPMY-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125483;MM125483;NC1C2C=C(F)CC12;VOCRTGRTBPGSOI-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125484;MM125484;CC1NNC(=O)C1(C)C;HLUHXTMYROTTQY-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125485;MM125485;OC1C2C=C(F)CC12;JPVVHMGWJWBDIA-UHFFFAOYSA-N;114.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125486;MM125486;CC1=CC2C(F)C2C1;KZOPALLIEHZXBQ-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125487;MM125487;FC1=CC2C(F)C2C1;FSGUTFGAQMHRAP-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125488;MM125488;CC1=CC2C(C1)N2C;LPZKDIDACUEJLU-UHFFFAOYSA-N;109.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125489;MM125489;CC12CC3C(C1)C3C2;WCQKOQVMUANZCH-UHFFFAOYSA-N;108.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125490;MM125490;FC12CC3C(C1)C3C2;WKBAOALJSARNFU-UHFFFAOYSA-N;112.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125491;MM125491;CCCCCCCC;TVMXDCGIABBOFY-UHFFFAOYSA-N;114.23;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125492;MM125492;CCCCCCCN;WJYIASZWHGOTOU-UHFFFAOYSA-N;115.22;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125493;MM125493;N#CCCC(=N)NC=O;ALTWJEZNROXNDM-UHFFFAOYSA-N;125.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125494;MM125494;CCCCCCCF;BITLXSQYFZTQGC-UHFFFAOYSA-N;118.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125495;MM125495;NCCCCCCF;AUEOTIKUFDLLHS-UHFFFAOYSA-N;119.18;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125496;MM125496;N#CCCC(=O)NC=N;QHFBWPJDASFEFG-UHFFFAOYSA-N;125.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125497;MM125497;C=CN=C(CC)NC=O;GUSXAOCOGASVTA-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125498;MM125498;FCCCCCCF;GVEHCXOZCZQOOM-UHFFFAOYSA-N;122.16;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125499;MM125499;CCCCCCNC;XJINZNWPEQMMBV-UHFFFAOYSA-N;115.22;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125500;MM125500;CNCCCCCN;BYVVEGMFBFDFHN-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125501;MM125501;CNCCCCCF;QSAYEQRECDBDHM-UHFFFAOYSA-N;119.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125502;MM125502;CCCCCCOC;ICBJCVRQDSQPGI-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125503;MM125503;COCCCCCF;ZLEDCYLOTOACGG-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125504;MM125504;COCCCCOC;HMCUNLUHTBHKTB-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125505;MM125505;CCCCCNCC;ICVFPLUSMYSIFO-UHFFFAOYSA-N;115.22;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125506;MM125506;CCNCCCCF;DKHXMGXPERIJRD-UHFFFAOYSA-N;119.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125507;MM125507;CCNCCCOC;YBKWSZWBZGPKOG-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125508;MM125508;CCCCCOCC;VDMXPMYSWFDBJB-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125509;MM125509;CCOCCCCN;GDELFUQKNPLION-UHFFFAOYSA-N;117.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125510;MM125510;CCOCCCCO;QRUOTIJTSNETKW-UHFFFAOYSA-N;118.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125511;MM125511;CCOCCCCF;WHQWIQXJSXQJAR-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125512;MM125512;CCOCCCNC;RSOVYHJBOYUBKJ-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125513;MM125513;CCOCCCOC;TUURDSPLKFUFEO-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125514;MM125514;CCNCCOCC;HDWAEDOMCNQUSW-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125515;MM125515;CCOCCOCC;LZDKZFUFMNSQCJ-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125516;MM125516;CCCCNCCC;CWYZDPHNAGSFQB-UHFFFAOYSA-N;115.22;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125517;MM125517;CCCCNCCN;DFPGBRPWDZFIPP-UHFFFAOYSA-N;116.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125518;MM125518;CCCCNCCF;PQHWJUJNHWAZPD-UHFFFAOYSA-N;119.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125519;MM125519;NCCCNCCN;DTSDBGVDESRKKD-UHFFFAOYSA-N;117.2;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125520;MM125520;NCCCNCCO;GHKSKVKCKMGRDU-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125521;MM125521;NCCCNCCF;GGBHQCIKDYRFJQ-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125522;MM125522;NCCNCCCO;KTLIZDDPOZZHCD-UHFFFAOYSA-N;118.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125523;MM125523;OCCCNCCO;IFPJFPROEPHIMI-UHFFFAOYSA-N;119.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125524;MM125524;CCCNCCCF;WYILOLURBCHFSE-UHFFFAOYSA-N;119.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125525;MM125525;NCCNCCCF;CHQIZGOCKUIXFA-UHFFFAOYSA-N;120.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125526;MM125526;CNCCNCCN;QATBRNFTOCXULG-UHFFFAOYSA-N;117.2;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125527;MM125527;CNCCNCCO;OVHIPFZQRQQFGQ-UHFFFAOYSA-N;118.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125528;MM125528;CNCCNCCF;XVKHAHXGTFXBRK-UHFFFAOYSA-N;120.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125529;MM125529;CCCNCCOC;UDZCEFCJEGGQOJ-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125530;MM125530;COCCNCCN;FMIQDBOZNIIQMO-UHFFFAOYSA-N;118.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125531;MM125531;COCCNCCO;FRGGNTDUBQNZBA-UHFFFAOYSA-N;119.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125532;MM125532;CCCCOCCC;YGZQJYIITOMTMD-UHFFFAOYSA-N;116.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
2-Butoxyethanol;MM00024;CCCCOCCO;POAOYUHQDCAZBD-UHFFFAOYSA-N;118.18;0.8;8133;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125533;MM125533;CCCCOCCF;NDFNJIQXEHKPRP-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125534;MM125534;NCCCOCCN;XZXVQFFGZKQTJX-UHFFFAOYSA-N;118.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125535;MM125535;NCCCOCCO;SQFCBBLSKSECMB-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125536;MM125536;CCCOCCCO;LDMRLRNXHLPZJN-UHFFFAOYSA-N;118.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125537;MM125537;NCCOCCCO;WWQGVCABJDSUME-UHFFFAOYSA-N;119.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125538;MM125538;OCCCOCCO;DSVZDMKYVFDILG-UHFFFAOYSA-N;120.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125539;MM125539;OCCCOCCF;ZXAZOTNTKRPUPT-UHFFFAOYSA-N;122.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125540;MM125540;CCCOCCCF;HUCBMCSCCGZBJR-UHFFFAOYSA-N;120.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125541;MM125541;COCOCCCN;YRYDZRSKAUUQSR-UHFFFAOYSA-N;119.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125542;MM125542;COCOCCCO;FGTCEMNXEQZTMP-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125543;MM125543;CCCOCCNC;NWZVZHGLMDYDOP-UHFFFAOYSA-N;117.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125544;MM125544;CNCCOCCN;ULTNASDLALGSJP-UHFFFAOYSA-N;118.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125545;MM125545;CNCCOCCO;IPKWSCDDLHLVMC-UHFFFAOYSA-N;119.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125546;MM125546;CNCCOCOC;MZMUICAIGPEULH-UHFFFAOYSA-N;119.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125547;MM125547;CCCOCCOC;ILLHRDFIVGEPIU-UHFFFAOYSA-N;118.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125548;MM125548;COCCOCCN;QWCGXANSAOXRFE-UHFFFAOYSA-N;119.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125549;MM125549;COCCOCCF;MGCQUWHNWWEMBH-UHFFFAOYSA-N;122.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125550;MM125550;COCCOCOC;WDWIEJOZBSADJF-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125551;MM125551;CCCOCOCC;SWQFQRIECLCLQG-UHFFFAOYSA-N;118.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125552;MM125552;CCOCOCCN;NIUVVTOHBWDRNR-UHFFFAOYSA-N;119.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125553;MM125553;CCOCOCCO;BXXXHBWYZKLUGM-UHFFFAOYSA-N;120.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125554;MM125554;CCOCOCCF;NMRUPRJEBHTCRH-UHFFFAOYSA-N;122.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125555;MM125555;C=CCCCCCC;KWKAKUADMBZCLK-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125556;MM125556;CCCCCCC=O;FXHGMKSSBGDXIY-UHFFFAOYSA-N;114.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125557;MM125557;CCCCCCC#N;SDAXRHHPNYTELL-UHFFFAOYSA-N;111.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125558;MM125558;C=CCCCCCN;PDSKWUZFFRWRCD-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125559;MM125559;CN1OC(=NN)CC1=N;HYWOVODCXUDPIP-UHFFFAOYSA-N;128.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125560;MM125560;CNc1nc(O)c(N)[nH]1;TXFGCHYKYSVHNN-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125561;MM125561;N=CNC(=O)CN1CC1;DGOOBCRXFVSGCK-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125562;MM125562;C=CCCCCCF;UNMHHJBYGZXSOS-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125563;MM125563;O=CCCCCCF;XCDORMVUFPWKBP-UHFFFAOYSA-N;118.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125564;MM125564;N#CCCCCCF;XQPCYRPIZBEDDJ-UHFFFAOYSA-N;115.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125565;MM125565;C=CCCCCNC;KKIMETYRXLWWSD-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125566;MM125566;C=CCCCCOC;UIPIUTVEKQBIMC-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125567;MM125567;COCCCCC=O;KCCMPTAMMUQNSK-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125568;MM125568;CCCCCNC=N;JHHOIJIZEMEPLX-UHFFFAOYSA-N;114.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125569;MM125569;C#CC(C#N)C1CN1C;BOGCRYFUABKDBY-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125570;MM125570;N=CNCCCCN;OZTGFNGVCCGPDW-UHFFFAOYSA-N;115.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125571;MM125571;NCCCCNC=O;JAEJQOUXXMFTJU-UHFFFAOYSA-N;116.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125572;MM125572;N=CNCCCCO;GHZKVELBUXAKTH-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125573;MM125573;C=NNCCCCN;JHYDPQLUERVVLV-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125574;MM125574;NN=CNC(=NO)NO;MQKWJYCJWWPOMT-UHFFFAOYSA-N;133.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125575;MM125575;CNCCCNC=N;PEOFUFKXCFIRJH-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125576;MM125576;CNCCCNC=O;BHBNGOFPGOBLPG-UHFFFAOYSA-N;116.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125577;MM125577;C=NNCCCNC;RUHGWVRXKCCJQQ-UHFFFAOYSA-N;115.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125578;MM125578;C=NNCCCOC;CTQTYXWZFWPOQU-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125579;MM125579;C=COCCCCC;IOSXLUZXMXORMX-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125580;MM125580;CCCCCOC=O;DIQMPQMYFZXDAX-UHFFFAOYSA-N;116.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125581;MM125581;C=COCCCCO;HMBNQNDUEFFFNZ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125582;MM125582;O=COCCCCO;ORPJQTWOOSKIAV-UHFFFAOYSA-N;118.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125583;MM125583;C=COCCCCF;HQFYBFRPPHAGDW-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125584;MM125584;O=COCCCCF;JRMSFPXJFVEGID-UHFFFAOYSA-N;120.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125585;MM125585;C=NOCCCCC;SDXMWAAFPUOCKF-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125586;MM125586;C=NOCCCCF;NVHUVESXDBSPFO-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125587;MM125587;C=COCCCNC;BGRLJYRCEMKFKD-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125588;MM125588;C=COCCCOC;YFUMKDXIKGOQDA-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125589;MM125589;C=CCCCNCC;SEMCWGJPMHQEPM-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125590;MM125590;CCNCCCC=O;KXDMNCFWVCPZKQ-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125591;MM125591;CCNCCNC=N;IGFHSRYTUIXTMH-UHFFFAOYSA-N;115.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125592;MM125592;CCNCCNC=O;FIDSTRPCHKZPLB-UHFFFAOYSA-N;116.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125593;MM125593;C=COCCNCC;BXFKZOPVKUTSFD-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125594;MM125594;C=CCCCOCC;KWZBAFGZAURKIN-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125595;MM125595;CCOCCCC=O;IXLCDEUKPJOZMJ-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125596;MM125596;CCOCCCC#N;CXSLXZVJPQQUAY-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125597;MM125597;CN=C1CC(=NN)ON1;LNGDAKOIRXFDMB-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125598;MM125598;C=COCCOCC;HWCLMKDWXUGDKL-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125599;MM125599;C=CCNCCCC;SNAUETXKUXDMFB-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125600;MM125600;CCCCNCC=O;NIZYOZGZYULYMF-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125601;MM125601;C=Cc1cnc(CO)[nH]1;UFQPLLYVBQPTBY-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125602;MM125602;C=CCNCCCF;ZLSVMQOFGPEGLT-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125603;MM125603;CNCCNCC=O;TURINRWQRPFJDM-UHFFFAOYSA-N;116.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125604;MM125604;CNCCNCC#N;GAKGYCJCKHYSQL-UHFFFAOYSA-N;113.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125605;MM125605;N=CNNCCCN;BYOXCZZOCQSFOB-UHFFFAOYSA-N;116.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125606;MM125606;NCCCNNC=O;SGMRKBWGYSHXHN-UHFFFAOYSA-N;117.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125607;MM125607;C=CC1=CC(=NO)CC1;XGFIMRDUWKLAFF-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125608;MM125608;CNCCNNC=N;NHBOVYHLOVWUOU-UHFFFAOYSA-N;116.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125609;MM125609;CNCCNNC=O;BYXRFTOGOGBVBN-UHFFFAOYSA-N;117.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125610;MM125610;COCCNNC=N;URXMNBRRLCSYDV-UHFFFAOYSA-N;117.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125611;MM125611;CC(=NO)N1CC1CF;AUNQCRFLDMGUII-UHFFFAOYSA-N;132.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125612;MM125612;C=CCOCCCC;IBTLFDCPAJLATQ-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125613;MM125613;CCCCOCC=O;RPLPGIHCAYAYKX-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125614;MM125614;CCCCOCC#N;FWORFLKIQZKPHB-UHFFFAOYSA-N;113.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125615;MM125615;O=CCOCCCO;VUZLMIPEOHEKHX-UHFFFAOYSA-N;118.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125616;MM125616;C=CCOCCCF;DYFQKJXQIXNHAZ-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125617;MM125617;N#CCOCCCF;LJLLYPVLUORRCT-UHFFFAOYSA-N;117.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125618;MM125618;CNCCOCC=O;OCSHDUJSNOEXNE-UHFFFAOYSA-N;117.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125619;MM125619;C=CCOCCOC;GSOBBSPKPFHUCK-UHFFFAOYSA-N;116.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125620;MM125620;CCCCONC=N;BVWBAOQGZODATM-UHFFFAOYSA-N;116.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125621;MM125621;CCCCONC=O;RCDSITRSQXNORC-UHFFFAOYSA-N;117.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125622;MM125622;N=CNOCCCN;ZOUOSOUFCKDHJK-UHFFFAOYSA-N;117.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125623;MM125623;NCCCONC=O;YZWZBQPXGWYVCM-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125624;MM125624;N=CNOCCCO;YRSKEQVDVDISBT-UHFFFAOYSA-N;118.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125625;MM125625;O=CNOCCCO;GBIWYUUFGVNLBU-UHFFFAOYSA-N;119.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125626;MM125626;N=CNOCCCF;KOFYLQBFDGPLKT-UHFFFAOYSA-N;120.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125627;MM125627;O=CNOCCCF;UOGYAVCQLXHGTK-UHFFFAOYSA-N;121.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125628;MM125628;CNCCONC=N;AFMAIACHBWOVMN-UHFFFAOYSA-N;117.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125629;MM125629;CNCCONC=O;TUOATSWLEOLSNK-UHFFFAOYSA-N;118.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125630;MM125630;COCCONC=N;FHNAPUJHHHFSST-UHFFFAOYSA-N;118.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125631;MM125631;COCCONC=O;TVPMSVKFMQQCHR-UHFFFAOYSA-N;119.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125632;MM125632;C=CCOCOCC;PEHNQOBTEYPYOR-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125633;MM125633;CCOCONC=N;LWKOKWHYYLYKDW-UHFFFAOYSA-N;118.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125634;MM125634;CCOCONC=O;RTFNWHMVNUBUKQ-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125635;MM125635;C=CCCNCCC;GZBSFQUXQCYRAC-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125636;MM125636;CCCNCCC=O;RWWDBUYAKHYTLT-UHFFFAOYSA-N;115.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125637;MM125637;O=CCCNCCO;UPLZZRLTLPZHMM-UHFFFAOYSA-N;117.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125638;MM125638;C=CCCNCCF;BIBSYRIOXYFGOS-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125639;MM125639;C=CCCOCCC;YDNHOBQOKNCLCT-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125640;MM125640;CCCOCCC=O;OPNGQDQTKIMUGS-UHFFFAOYSA-N;116.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125641;MM125641;C=CCCOCCF;BUNPENQMHWNJTG-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125642;MM125642;COCOCCC=O;GSJKYLZAPXXOQX-UHFFFAOYSA-N;118.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125643;MM125643;C=COCOCCC;GHGLTMYUWRIKAD-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125644;MM125644;C=COCOCCN;BVNCFRMRHSLVKW-UHFFFAOYSA-N;117.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125645;MM125645;NCCOCOC=O;OZHFKHJZVCFRNI-UHFFFAOYSA-N;119.12;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125646;MM125646;O=COCOCCO;GZPJUADVNRFNJV-UHFFFAOYSA-N;120.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125647;MM125647;CC(C#N)CC(=N)NC=O;OOMLWVDCVHRYAM-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125648;MM125648;C#CCCCCCN;CTJWRSXGDBETPH-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125649;MM125649;CC(C#N)CC(=O)NC=N;SDRDPCFMLOGYMO-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125650;MM125650;C#CCCCCCF;RIUFVBVJZNDZOJ-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125651;MM125651;C#CCCCCNC;UGRPKEHBPQRPPX-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125652;MM125652;C#CCCCCOC;RUVTVSVJVRUUOJ-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125653;MM125653;C#CCCCNCC;NYJNTUUPMSFHKC-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125654;MM125654;C#CCCCOCC;XJSCYSHJAHCWTE-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125655;MM125655;C#CCNCCCC;IONYZQJNJQZUMX-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125656;MM125656;C#CCNCCCF;GNODVXSAGRXZKS-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125657;MM125657;C#CCNCCNC;FKKAVJMZLJDZPK-UHFFFAOYSA-N;112.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125658;MM125658;C#CCNCCOC;MFMIMCSNIHXRPA-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125659;MM125659;C#CCOCCCC;DVMVFRCTQPYCGE-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125660;MM125660;C#CCOCCCN;LISPQCAYQQEBAS-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125661;MM125661;C#CCOCCCF;KHGZJHKPGKVPRM-UHFFFAOYSA-N;116.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125662;MM125662;C#CCOCCNC;LBDGUQLCBNALNC-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125663;MM125663;C#CCCNCCC;SKHMQYMTYMAIRI-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125664;MM125664;C#CCCNCCN;XBCLLECFZQGVCR-UHFFFAOYSA-N;112.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125665;MM125665;C#CCCNCCO;CPORETJUHRURHL-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125666;MM125666;C#CCCNCCF;MNHWTVZIRUGABB-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125667;MM125667;C#CCCOCCC;YMUNTSXKXKVPNU-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125668;MM125668;C#CCCOCCO;AMRBGANUAYUVFH-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125669;MM125669;C#CCCOCCF;VTJIJCNCEHAFDI-UHFFFAOYSA-N;116.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125670;MM125670;C#CCCOCOC;NJFVWJUCZAGGGO-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125671;MM125671;C=CCCCCC=C;XWJBRBSPAODJER-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125672;MM125672;C=CCCCCC=O;IOXPXHVBWFDRGS-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125673;MM125673;C=CCCCCC#N;ZLWQKLRMIQIHKQ-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125674;MM125674;O=CCCCCC=O;UMHJEEQLYBKSAN-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125675;MM125675;N#CCCCCC=O;ROLXEZSIIQQWRL-UHFFFAOYSA-N;111.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125676;MM125676;C=CCCCNC=N;DEZYABWSMRFAEL-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125677;MM125677;N=C(C=C(N)CO)NC=O;GPAAJLNCVJFGCO-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125678;MM125678;N=CNCCCC=O;QUYCHSOTJLNMEZ-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125679;MM125679;C=CCCCNN=C;UJMFXHRXUMBLMM-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125680;MM125680;C=NNC(=O)NNCCC;XEVVQZJIIFJXOY-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125681;MM125681;C=CCCCOC=C;VFOONMUUZUQJEU-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125682;MM125682;C=CCCCOC=O;YLHXTHJIISJPCB-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125683;MM125683;C=COCCCC=O;LZXVUMGMCHULIV-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125684;MM125684;C=COCCCC#N;KOIJBWGRLMNYQD-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125685;MM125685;C=CCCCON=C;UISHKCCRUKEVCQ-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125686;MM125686;C=NOCCCC#N;LSBKASBQYQBIHS-UHFFFAOYSA-N;112.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125687;MM125687;N=CNCCNC=N;IQRKMUPICAZREG-UHFFFAOYSA-N;114.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125688;MM125688;N=CNCCNC=O;GCDHKPZGJPPODM-UHFFFAOYSA-N;115.14;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125689;MM125689;O=CNCCNC=O;NBNDPGGJEJRDBJ-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125690;MM125690;C=NNCCNC=N;UZEPMIHUOYIKEW-UHFFFAOYSA-N;114.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125691;MM125691;CC1CN1CC(=O)NC=N;BWNNDYNJDUCEKW-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125692;MM125692;C=COCCNC=N;LCJWHOQBBOBZBJ-UHFFFAOYSA-N;114.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125693;MM125693;N=CNCCOC=O;HLTQAEHFNGJWBA-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125694;MM125694;N=CNc1cn(N)c(O)n1;KCCIMNHDSLFRHL-UHFFFAOYSA-N;141.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125695;MM125695;O=CNCCOC=O;AZVWNUMHSSZYQQ-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125696;MM125696;C=NOCCNC=N;KMGPUYRWBMYCFF-UHFFFAOYSA-N;115.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125697;MM125697;C#CCNC(=O)NC=NC;CZLHCEIDPHGIFN-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125698;MM125698;C=COCCOC=C;ZXHDVRATSGZISC-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125699;MM125699;C=COCCON=C;HMNPQOXAJQGROI-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125700;MM125700;C=CCCNCC=C;DYSSMLMNWJFMLI-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125701;MM125701;C=CCCNCC#N;QOQJBRSBWKYPCL-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125702;MM125702;C=CCNCCC=O;SIFWQIUTWKZYLL-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125703;MM125703;CN(O)C(=NO)NNC=O;RGABAHMXPCSCBX-UHFFFAOYSA-N;148.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125704;MM125704;C=CCCC(=NO)C(=C)C;WGIULEJSZAVPAG-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125705;MM125705;N#CCCNCC#N;PGLAKXVNMUCTLS-UHFFFAOYSA-N;109.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125706;MM125706;C=CCCNNC=N;ISZYLOGWJKNVCL-UHFFFAOYSA-N;113.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125707;MM125707;N=CNNCCC=O;WXCHMANTQFGDHC-UHFFFAOYSA-N;115.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125708;MM125708;CC=CC=CC(CC)=NO;ORZSDRKBYYHYGL-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125709;MM125709;C=CCCOCC=C;VIEOWSFQXIDAQV-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125710;MM125710;C=CCCOCC#N;ZCJZWDIUWMWKKA-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125711;MM125711;O=CCCOCC=O;IEDMRRDWLDIRLN-UHFFFAOYSA-N;116.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125712;MM125712;N#CCOCCC=O;XSMAAQOCMDLQFQ-UHFFFAOYSA-N;113.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125713;MM125713;N#CCCOCC#N;ZYBSDDWVNBUZTD-UHFFFAOYSA-N;110.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125714;MM125714;C=CCCONC=N;QZOGMIHYEXWFSN-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125715;MM125715;N=CNOCCC=O;JYUXKCCCCUZPQQ-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125716;MM125716;O=CCCONC=O;KZVKICOGGKQYOG-UHFFFAOYSA-N;117.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125717;MM125717;C=CCOCOC=C;DHZBATTWPOUFAG-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125718;MM125718;C=COCOCC=O;NTVDXVMVZZFXOM-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125719;MM125719;C=CCOCOC=O;JAXYDCYPRXEZJV-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125720;MM125720;O=CCOCOC=O;CTOFQYULQIIMDU-UHFFFAOYSA-N;118.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125721;MM125721;N#CCOCOC=O;OZAPSOIQFMEVMJ-UHFFFAOYSA-N;115.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125722;MM125722;C=CC(CC)C(=C)C=NO;AOGDNPWILOKDCB-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125723;MM125723;N=CNOCOC=O;LBCRBFFIKRUZCT-UHFFFAOYSA-N;118.09;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125724;MM125724;O=CNOCOC=O;KCTDKEUNWNTGPZ-UHFFFAOYSA-N;119.08;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125725;MM125725;C=NOCONC=O;FMSFEUIJAUCOGY-UHFFFAOYSA-N;118.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125726;MM125726;C#CCCCCC=C;SNTQTQGMBSQRJZ-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125727;MM125727;C#CCCCCC=O;UIRZQOFYQKICOZ-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125728;MM125728;C#CCCCCC#N;BIGRRVLEKCQFHS-UHFFFAOYSA-N;107.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125729;MM125729;C#CCCCNN=C;MJGMPBUZRTWVKS-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125730;MM125730;C#CCCCOC=C;TUCYLCZCZNLYFM-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125731;MM125731;C#CCCCOC=O;HKZGIGYGWCPKKV-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125732;MM125732;C#CCCCON=C;OKIKKBBDPMOBPE-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125733;MM125733;C#CCNCCC=C;DAIJBDGMLIPWGN-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125734;MM125734;C#CCNCCC=O;OAKKGTKCSDUIDC-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125735;MM125735;C#CCOCCC=C;BBOYMHXKBXHLIG-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125736;MM125736;C#CCOCOC=O;OILUUYOBMDGFDJ-UHFFFAOYSA-N;114.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125737;MM125737;C#CCCNCC=C;CUFAGSRSGZLMHI-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125738;MM125738;C#CCCNNC=N;YNMNZNVQDSCEHQ-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125739;MM125739;C#CC1(C(=O)NN=C)CN1;BLKSWOWLKQHRTN-UHFFFAOYSA-N;137.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125740;MM125740;C#CCCOCC=C;FITHKHKKDWTBOK-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125741;MM125741;C#CCCOCC=O;BXJOUINTFSFGLA-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125742;MM125742;C#CCCOCC#N;WWKGRCQZNAXERR-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125743;MM125743;C#CCCONC=N;XABGBVKCJWYWGI-UHFFFAOYSA-N;112.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125744;MM125744;C#CCCONC=O;VRFGGWCRKZRTII-UHFFFAOYSA-N;113.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125745;MM125745;C#CCCCCC#C;DSOJWVLXZNRKCS-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125746;MM125746;C#CCCNCC#C;HECZFMMGLHYFSF-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125747;MM125747;C#CCCOCC#C;GJZAKRZEYYCBNX-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125748;MM125748;CC=CCCCCC;ILPBINAXDRFYPL-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125749;MM125749;CCCCCC=CF;PCITZLWUBCVFRB-UHFFFAOYSA-N;116.18;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125750;MM125750;CC=CCCCCN;PQRCENWIXBYZEW-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125751;MM125751;NCCCCC=CF;CRCKEAAJJGSXTH-UHFFFAOYSA-N;117.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125752;MM125752;C#CC(C#N)C1CN1CC;ROHJAZCSGVSGHA-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125753;MM125753;O=CCC#CCNC=NO;UYHJNWKGGWLCFW-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125754;MM125754;CC=CCCCCF;ZWXPSCKDCCAJGY-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125755;MM125755;FC=CCCCCF;BOWBMBWYKGDBKV-UHFFFAOYSA-N;120.14;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125756;MM125756;CCCCCC=NN;BLWBNXFYLCDSDB-UHFFFAOYSA-N;114.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125757;MM125757;N=C1C=CC(=O)N1;ZEVPVCFDANWTAS-UHFFFAOYSA-N;96.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125758;MM125758;CC=CCCCNC;JXZYYWHGFQNDJK-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125759;MM125759;CNCCCC=CF;IHJAKKXUYLFMKU-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125760;MM125760;CC=CCCCOC;LNDGSLSBOSCHMP-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125761;MM125761;COCCCC=CF;YWFISSFTLNXMFT-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125762;MM125762;CC=CCCNCC;QDQCNTWVKAMWFM-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125763;MM125763;CCNCCC=CF;POSMJHLLMDZWTH-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125764;MM125764;CC=CCCOCC;IIAVZTPDYURHMQ-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125765;MM125765;CCOCCC=CF;GEFAJJOGKIMDNZ-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125766;MM125766;CCOCCC=NN;HKEUHJWCTQQZDR-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125767;MM125767;CCCCN=CNC;DDJPHVCNQNVJFD-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125768;MM125768;CCCCN=CNN;HQEZAVXVBWWGHG-UHFFFAOYSA-N;115.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125769;MM125769;CN=CNCCCN;BRGFXDYAEIXMQI-UHFFFAOYSA-N;115.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125770;MM125770;NCCCN=CNO;IKSSIGIEZGQDPO-UHFFFAOYSA-N;117.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125771;MM125771;CN=CNCCCO;LHQLQAGHALOEPK-UHFFFAOYSA-N;116.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125772;MM125772;NN=CNCCCF;NIVINUXPHKMMQF-UHFFFAOYSA-N;119.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125773;MM125773;Nc1nnc(N)[nH]1;PKWIYNIDEDLDCJ-UHFFFAOYSA-N;99.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125774;MM125774;CNC=NCCNC;UWMIWRPAWJOTNO-UHFFFAOYSA-N;115.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125775;MM125775;CNCCN=CNN;UBGPUDYSMSKRTF-UHFFFAOYSA-N;116.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125776;MM125776;CNCCN=CNO;CKPIXGFZTLFBOD-UHFFFAOYSA-N;117.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125777;MM125777;CC=COCCCC;PNKQANLVRCMVPD-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125778;MM125778;CCCCOC=CF;INJOGIDOGSRDJN-UHFFFAOYSA-N;118.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125779;MM125779;CC=COCCCN;KWJQWRDRCSOISW-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125780;MM125780;CC=COCCCO;GNYPMQZTSVRUEZ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125781;MM125781;OCCCOC=CF;XFTUSDHEQXTNHB-UHFFFAOYSA-N;120.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125782;MM125782;CC=COCCCF;YHSSDSAKNXQEAG-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125783;MM125783;ON=C1C=CNC1;JUPDSVIJSPCOMQ-UHFFFAOYSA-N;98.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125784;MM125784;CCCCOC=NO;QQGZTNQZCVUBKP-UHFFFAOYSA-N;117.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125785;MM125785;CCC(=N)NC(C)=O;WOQIZWQVYVWAMK-UHFFFAOYSA-N;114.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125786;MM125786;OCCCOC=NO;PFUYIEFBGNVVOK-UHFFFAOYSA-N;119.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125787;MM125787;CCC(=O)NC(C)=N;JWGGPHXDBIFJES-UHFFFAOYSA-N;114.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125788;MM125788;CC=COCCNC;POYFSTANZVVMGE-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125789;MM125789;CNCCOC=NN;XKDHAXOFLXZMMC-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125790;MM125790;CC=COCCOC;YCNLHOSKIKGADU-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125791;MM125791;COCCOC=CF;DQBLAEAQGINMRR-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125792;MM125792;CC=NOCCCC;BIOBJAIDUWVNQG-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125793;MM125793;CC=NOCCCF;VVPYERLJCBPINU-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125794;MM125794;CC=COCOCC;VLFKTJHKGVJHPL-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125795;MM125795;CCOCOC=CF;FUEUDMNSJOTJTA-UHFFFAOYSA-N;120.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125796;MM125796;CC=CCNCCC;ZMXGUGPHHAPDEU-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125797;MM125797;CCCNCC=CF;MVBWKNIIKYJBIZ-UHFFFAOYSA-N;117.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125798;MM125798;CC=CCNCCN;XJLFUXKCPMRTLL-UHFFFAOYSA-N;114.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125799;MM125799;NCCNCC=CF;GFIGJJTYGGCVSM-UHFFFAOYSA-N;118.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125800;MM125800;CN=CNNCCN;NYPFJXDWFMTADC-UHFFFAOYSA-N;116.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125801;MM125801;NCCNN=CNO;VEYBNRMBMLXFIE-UHFFFAOYSA-N;118.14;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125802;MM125802;NC(C=CC=O)=NO;XCGQHFMEZQHOEH-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125803;MM125803;CN=CNNCCF;GYPBQWVMTHFDDV-UHFFFAOYSA-N;119.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125804;MM125804;CC=CCOCCC;IHZUHZICKKWHPH-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125805;MM125805;CCCOCC=CF;IFRNVQCIOINQRO-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125806;MM125806;CC=CCOCCO;DQVQUBQBNBADRW-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125807;MM125807;OCCOCC=CF;OXDLNNQXYFZITP-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125808;MM125808;CC=CCOCCF;ZAYXHSJTJJOUEH-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125809;MM125809;FC=CCOCCF;MYDDCXZVRUOXNN-UHFFFAOYSA-N;122.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125810;MM125810;CCCOCC=NN;YQEJAYQYPAVCOZ-UHFFFAOYSA-N;116.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125811;MM125811;NCCOCC=NO;SJUXLTSGMXLAPB-UHFFFAOYSA-N;118.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125812;MM125812;C=C1C=CC(=NO)C1;YBCCXTXLKTZDNT-UHFFFAOYSA-N;109.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125813;MM125813;NN=CCOCCF;YOZLWQDJWFGGJR-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125814;MM125814;CC=CCOCOC;QAHPBDHUXXJFOP-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125815;MM125815;COCOCC=NN;DKZGIRCTRDVQJN-UHFFFAOYSA-N;118.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125816;MM125816;CN=CNOCCN;COCRTJYPPRSYEI-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125817;MM125817;CCCC(=N)NC(C)=O;HBOVIRAOJBCYBS-UHFFFAOYSA-N;128.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125818;MM125818;C=C(C)CC(=C)C=NO;ZNJBXFFOBCTOLZ-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125819;MM125819;C=CCCCC=CC;RJUCIROUEDJQIB-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125820;MM125820;C=CCCCC=CF;JFXSUTZMDZWVPS-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125821;MM125821;CC=CCCCC=O;UDOAKURRCZMWOJ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125822;MM125822;CC=CCCCC#N;NBIILQIAMXPTRP-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125823;MM125823;O=CCCCC=CF;VOSCRHJWSDXFLO-UHFFFAOYSA-N;116.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125824;MM125824;N#CCCCC=CF;WEXQRUCUWYUBHJ-UHFFFAOYSA-N;113.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125825;MM125825;C=CCCCC=NN;SMJBRLXKQFDSHO-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125826;MM125826;C=CCCCC=NO;ISRXXTMGMKQMOO-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125827;MM125827;CC=CCCNC=N;HKYOBWDDBCTUBU-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125828;MM125828;C#CC(=O)NNC(C)C;XTMSBDDWEJOWIG-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125829;MM125829;O=CNCCC=CF;LPFHUSMNPHZBRJ-UHFFFAOYSA-N;117.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125830;MM125830;N=CNCCC=NN;GPONVFBLUNBTPQ-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125831;MM125831;N=CNCCC=NO;NINIQDSUXVKAON-UHFFFAOYSA-N;115.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125832;MM125832;N=C(CNC=O)NC=O;AOAATRMWNZDTGE-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125833;MM125833;C=NNCCC=NN;XHCPEONWLKCTJS-UHFFFAOYSA-N;114.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125834;MM125834;C=COCCC=CC;ZJROIWYUMIZTCJ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125835;MM125835;C=COCCC=CF;LFYITLYCUGWOAZ-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125836;MM125836;CC=CCCOC=O;TYGXIHFXKYDCAD-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125837;MM125837;O=COCCC=CF;OVZCOIZUVDULGS-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125838;MM125838;C=COCCC=NN;AAHQCKLGTUDNAN-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125839;MM125839;C=COCCC=NO;GVJAHZDAGXJWOG-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125840;MM125840;C=NOCCC=CC;FBWFAAICQQWKNA-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125841;MM125841;C=NOCCC=CF;ODPPEZPVKMXXDP-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125842;MM125842;C=CCCNC=NC;RKWKOLJCNWYUOV-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125843;MM125843;CN=CNCCC=O;KSCOLOWTWFFMTH-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125844;MM125844;CN=CNCCC#N;CKKRURWNFXSJSU-UHFFFAOYSA-N;111.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125845;MM125845;CN(C=NO)CC=CF;YXJNQPIVSXFBMG-UHFFFAOYSA-N;132.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125846;MM125846;C=CCCOC=CC;YSIJLPOBKJVBKO-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125847;MM125847;C=CCCOC=CF;YJNPZLWYCQMRIB-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125848;MM125848;CC=COCCC=O;FWVHFUSYMXKGHF-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125849;MM125849;CC=COCCC#N;RBNLKINSLVECTM-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125850;MM125850;N#CCCOC=CF;JRNGIEQKVYYCCC-UHFFFAOYSA-N;115.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125851;MM125851;NN=CNOC(=O)NN;KTTMJRKQZTYQNM-UHFFFAOYSA-N;133.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125852;MM125852;C=CCCOC=NO;SMZSNWXYHQRQDE-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125853;MM125853;C=CCCON=CC;XSMYXCOWNHYVBC-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125854;MM125854;C#CC(C)C(=N)NC=O;LTKHVUZWZAHFEP-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125855;MM125855;C=COCOC=CC;DYGWNBKOHQELBV-UHFFFAOYSA-N;114.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125856;MM125856;C=COCOC=CF;HHDKRBLYIOPUKI-UHFFFAOYSA-N;118.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125857;MM125857;CC=COCOC=O;OATCRBOFVBALJA-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125858;MM125858;O=COCOC=CF;AUDCPDYYFXRUHU-UHFFFAOYSA-N;120.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125859;MM125859;CNNC(=O)C(=N)NO;GUHJBMZRCPVMFT-UHFFFAOYSA-N;132.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125860;MM125860;O=COCOC=NO;SMPGALXLWBODMB-UHFFFAOYSA-N;119.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125861;MM125861;C=NOCOC=CC;XCLRSMBETGPSMK-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125862;MM125862;C=CCNCC=CC;IJXDSBWQEQWQNX-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125863;MM125863;C=CCNCC=CF;TZGKNPFTZDFMKY-UHFFFAOYSA-N;115.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125864;MM125864;N#CCNCC=NO;GYODWTTYMNNHHT-UHFFFAOYSA-N;113.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125865;MM125865;N=C(CN1CC1)NC=O;LHCLXDZVBUMMMR-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125866;MM125866;N=CNNCC=NN;LOSKNHODVYVWPY-UHFFFAOYSA-N;115.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125867;MM125867;N=CNNCC=NO;ACKZOEHHGYPEFH-UHFFFAOYSA-N;116.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125868;MM125868;CCc1ncn(O)c1N;PGJWNOZKXGFEMH-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125869;MM125869;O=CNNCC=NO;YKRFTUMIWDOIEN-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125870;MM125870;C=CCNNC=NC;MUHVUNZEGPNFAO-UHFFFAOYSA-N;113.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125871;MM125871;N#CC(O)C1(CO)CN1;PBKKHDUHMDWQFF-UHFFFAOYSA-N;128.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125872;MM125872;CN=CNNCC=O;MHNXLJONBVSCCD-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125873;MM125873;CN=CNNCC#N;OHHWEVYOMORNCN-UHFFFAOYSA-N;112.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125874;MM125874;C=COC=CNC=NO;RHLANKZKWNOFEY-UHFFFAOYSA-N;128.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125875;MM125875;C=CCOCC=CC;ATVLDLYAISLOEO-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125876;MM125876;C=CCOCC=CF;XUZINPHTAGLONM-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125877;MM125877;CC=CCOCC#N;AOARNSLJLLPSKE-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125878;MM125878;O=CCOCC=CF;AXCRXIBWJXJWHG-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125879;MM125879;N#CCOCC=CF;MUTMRIMBRYZXLJ-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125880;MM125880;N=CNOCC=CF;DVPJVRPBHLZRSX-UHFFFAOYSA-N;118.11;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125881;MM125881;N=CNOCC=NN;NSGUGXGGXWGDQS-UHFFFAOYSA-N;116.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125882;MM125882;NN=CCONC=O;UWOKDXSXQPMOSB-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125883;MM125883;C=CCONC=NC;CQEQPTDDSBUZOH-UHFFFAOYSA-N;114.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125884;MM125884;O=CCONC=NO;LWVGFQGNIMPRRO-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125885;MM125885;C#CCCCC=CC;AIBLMPGTCGTXAD-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125886;MM125886;C#CCCCC=CF;CZDDUEJZFSBSJZ-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125887;MM125887;C#CCCCC=NN;QJRFWHIGJCQJOV-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125888;MM125888;C#CCCCC=NO;ZRIRZRDYWCFKND-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125889;MM125889;C#CCCNC=NC;FRVVYSZKAWORQI-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125890;MM125890;CC(=O)NC(=N)CC(C)C;HATLYDRPIIXGTH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125891;MM125891;C#CCCOC=CC;ZDGZESAZRASSIR-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125892;MM125892;C#CCCOC=CF;VJEOKKKUBROVFU-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125893;MM125893;CC(=N)NC(=O)CC(C)C;OQBXTPDAKIBTMQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125894;MM125894;C#CCCON=CC;XDXXUQZRWLMVKC-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125895;MM125895;C#CCNCC=CC;IJGOZVOGQASKDG-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125896;MM125896;C#CCNNC=NC;ZWXZNNPDGREHIJ-UHFFFAOYSA-N;111.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125897;MM125897;CCCCC(=N)NC(C)=O;RBHZNGWEAVRXNI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125898;MM125898;C#CCOCC=CC;GMPBTKCOWXMCTO-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125899;MM125899;C#CCOCC=CF;KITWXXCIIVZESM-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125900;MM125900;CCCCC(=O)NC(C)=N;YTUVCKWNHFRQHG-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125901;MM125901;C#CCONC=NO;PHSYACQIAKXNSM-UHFFFAOYSA-N;114.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125902;MM125902;CC#CCCCCC;QCQALVMFTWRCFI-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125903;MM125903;CC#CCCCCN;SVXFGGSGWNIWRD-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125904;MM125904;CC(=O)NC(=N)CCC=O;SCKGVDAKQABQCZ-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125905;MM125905;CC#CCCCCF;HBGXTKDCTPUXKV-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125906;MM125906;CC#CCCCNC;LOBBNWUNIQZAAN-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125907;MM125907;CC#CCCCOC;PFMBUUIYFQMNOC-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125908;MM125908;CC#CCCNCC;UJJQOCBILATROY-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125909;MM125909;CC#CCCOCC;ZQJVLXDJNPAVDF-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125910;MM125910;CC#CCNCCC;BLNBBJADLRHFAB-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125911;MM125911;CC#CCOCCO;KHDHRQQCJWASRH-UHFFFAOYSA-N;114.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125912;MM125912;CC#CCOCCF;GLYPXFJTGAFZFR-UHFFFAOYSA-N;116.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125913;MM125913;CC#CCOCOC;UYWRJJHIILIVPP-UHFFFAOYSA-N;114.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125914;MM125914;C=CCCCC#CC;YTYNPMKUOKDRSG-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125915;MM125915;CC#CCCCC=O;DQNOBCJGUXBBBF-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125916;MM125916;CC#CCCCC#N;BSWZOVFGQBYWOB-UHFFFAOYSA-N;107.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125917;MM125917;CC#CCCNC=N;FTPJYCSVLRNDTK-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125918;MM125918;C=NNCCC#CC;WSYMIHJHBRTTDZ-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125919;MM125919;C=COCCC#CC;PFUQSDFKWBQZPD-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125920;MM125920;CC#CCCOC=O;DKAUIGUJYBGFAE-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125921;MM125921;C=NOCCC#CC;WIDGNJLXEANOBZ-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125922;MM125922;C=CCNCC#CC;LIIACOIRPHMPON-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125923;MM125923;CC#CCNCC#N;VWGINDVPDBGCAB-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125924;MM125924;CC#CCNNC=N;KKLRHJXDWDQDBL-UHFFFAOYSA-N;111.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125925;MM125925;C=CCOCC#CC;MYEOODYECGKWLS-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125926;MM125926;CC#CCOCC=O;FQSOHYVJEPPVPI-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125927;MM125927;CC#CCOCC#N;GQIODAZMOFCTBQ-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125928;MM125928;C#CCCCC#CC;HUPKWBBKMAGWFY-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125929;MM125929;C#CCOCC#CC;JPOBDRSXSBENSP-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125930;MM125930;CC=CCCC=CC;LAGGTOBQMQHXON-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125931;MM125931;CC=CCCC=CF;IRHHXPJCGLLJHO-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125932;MM125932;FC=CCCC=CF;BRHFMPOSMBIHIW-UHFFFAOYSA-N;118.13;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125933;MM125933;CC=CCCC=NN;BVOSUMFEWRBKMG-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125934;MM125934;CC=CCCC=NO;KPABTFGOYBEUPL-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125935;MM125935;CC=CCNC=NC;GIBGWYVOCRGVCE-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125936;MM125936;CC=CCN=CNN;VCEITHLNGYTXQU-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125937;MM125937;CN=CNCC=CF;YBPJKEZJWYGOSD-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125938;MM125938;CN=CNCC=NN;ZWZHMVJVDDROBP-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125939;MM125939;CN=CNCC=NO;JIIFWRXXKTYMRJ-UHFFFAOYSA-N;115.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125940;MM125940;ON=CCNC=NO;XZLZBUCHUCIDBZ-UHFFFAOYSA-N;117.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125941;MM125941;CC=CCOC=CC;QOCZFYYPDLVJLP-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125942;MM125942;CC=CCOC=CF;CBKGGLUWZMPKCW-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125943;MM125943;CC=COCC=CF;DMUSJEWKPANIDH-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125944;MM125944;CC(=N)NC(=O)CCC=O;MKNNIYUTKLXBEU-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125945;MM125945;CC=CCOC=NO;UAYVDVPQQXDMPA-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125946;MM125946;CN(C=O)CC(=N)NC=O;LNRBAHUDMCLTNZ-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125947;MM125947;ON=COCC=CF;LAPNBKFKKUPTQX-UHFFFAOYSA-N;119.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125948;MM125948;CC=COCC=NN;HKBHVOBUMJIQBE-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125949;MM125949;NN=CCOC=CF;SGQWZGCUIWNVLF-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125950;MM125950;CC=COCC=NO;BADVVRVIIRIXEP-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125951;MM125951;CCC(N)=CC(=N)NC=O;AEUYWBBUPHXCQP-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125952;MM125952;NN=CCOC=NO;OSZHWNRKXGAFRO-UHFFFAOYSA-N;117.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125953;MM125953;CC=CCON=CC;WJYAORMGXKQPLC-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125954;MM125954;CC=NOCC=CF;VUBHHKLMNMNMMU-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125955;MM125955;CN=CNNC=NC;FXNRKTYVPRRDMZ-UHFFFAOYSA-N;114.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125956;MM125956;CN=CNNC=NN;CUCKMINBTLEGHB-UHFFFAOYSA-N;115.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125957;MM125957;CN=CNNC=NO;IDAYZELWFIUDPG-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125958;MM125958;ON=CNNC=NO;WPNQPJJEHIZKNQ-UHFFFAOYSA-N;118.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125959;MM125959;C=CC(=NC(C)C)NC=O;BBPAKNUTOYACRZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125960;MM125960;NN=CNOC=NO;MOGFIUKUZZWQER-UHFFFAOYSA-N;118.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125961;MM125961;ON=CNOC=NO;OMKIQYCOECYCIU-UHFFFAOYSA-N;119.08;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125962;MM125962;CC#CCCC=CC;KVPPSBUCZRYYNT-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125963;MM125963;CC#CCCC=CF;WLQRCABHFRYOQV-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125964;MM125964;CC#CCCC=NN;HXVXYJOCLOITOS-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125965;MM125965;CC#CCCC=NO;CCSKNXGICXEDOJ-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125966;MM125966;CC#CCNC=NC;CVWAPRUCAFNYSJ-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125967;MM125967;CC#CCNN=CC;ZRLKHSXCOVPOIA-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125968;MM125968;CC#CCOC=CC;OMIQJJUMBOKFSJ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125969;MM125969;CC#CCOC=CF;FSYXFPXMXUKXBY-UHFFFAOYSA-N;114.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125970;MM125970;CC#CCON=CC;PKYUILPQTAWWGJ-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125971;MM125971;CC#CCCC#CC;PHNFSGFUJPBCLS-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125972;MM125972;CCC=CCCCC;YCTDZYMMFQCTEO-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125973;MM125973;CCCCC=CCN;CRQJAFQPBVGVHL-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125974;MM125974;CCCCC=CCO;ASFYPVGAALGVNR-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125975;MM125975;CCCCC=CCF;WVRUVXLFIYRFHR-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125976;MM125976;CCC=CCCCN;POUPCZHZTRCNFE-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125977;MM125977;NCCCC=CCF;NPMUBSLMLLBXBB-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125978;MM125978;CCNC=CC(=N)NC=O;YSEMJNXOFHJSFX-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125979;MM125979;C=C(C=NO)C(C)C=CC;DARWMOYPSYSQKQ-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125980;MM125980;CCC=CCCCF;RGMJXQRPVASSOX-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125981;MM125981;NCC=CCCCF;OAIZGSLCOQVORI-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125982;MM125982;OCC=CCCCF;AWWQXBRFQBOQHE-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125983;MM125983;FCC=CCCCF;FMTAODQRPXZRTH-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125984;MM125984;CCCCC=COC;WGEZRMDYBXGPFA-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125985;MM125985;C#CC(=O)NNC(C)C=C;NOPBPPJQRFUVRA-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125986;MM125986;COC=CCCCF;GTVKMDWPVGPOKL-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125987;MM125987;CCC=CCCNC;IOQKMKISRJLATN-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125988;MM125988;CNCCC=CCO;MEXBHFIRBYWLCU-UHFFFAOYSA-N;115.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125989;MM125989;CNCCC=CCF;ZBSVYPQTZDETCV-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125990;MM125990;CNCCC=COC;XORHROVZGXSWOC-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125991;MM125991;CCC=CCCOC;KUPODEXLSGEWFR-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125992;MM125992;COCCC=CCN;AHEFXJXYUKRZKW-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125993;MM125993;COCCC=CCF;JRESNGPTPYDYNV-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125994;MM125994;COC=CCCOC;FPXUGGUFKHOGBY-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125995;MM125995;CCCCC=NNC;AWCNYZNVUOWXFI-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125996;MM125996;CCCCC=NOC;UUJPCABLFODJKX-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125997;MM125997;CCC=CCNCC;OUEYCPFITUPBSR-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125998;MM125998;CCNCC=CCF;JJLRZGHIZDNATN-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM125999;MM125999;CCNCC=COC;XKTGXIYCOCEKLX-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126000;MM126000;CCC=CCOCC;CBFOYGMBDYCRIO-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126001;MM126001;CCOCC=CCN;NYZOXUJEPPHMNZ-UHFFFAOYSA-N;115.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126002;MM126002;CCOCC=CCO;FEUWIOKZZIUKKQ-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126003;MM126003;CCOCC=CCF;UJAIUHOFJFEKFP-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126004;MM126004;CCOCC=COC;ZHAFEYKHOAGCLW-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126005;MM126005;CCOCC=NNC;PQKYLFJGVDUKLM-UHFFFAOYSA-N;116.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126006;MM126006;CCOCC=NOC;UIYSDRSCZWHFPL-UHFFFAOYSA-N;117.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126007;MM126007;CCCN=CNCC;ZAVAYWGQFNOUGZ-UHFFFAOYSA-N;114.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126008;MM126008;CCN=CNCCN;AYYMIABHAQGFEQ-UHFFFAOYSA-N;115.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126009;MM126009;CCN=CNCCO;GOQWMVCYTKDQPQ-UHFFFAOYSA-N;116.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126010;MM126010;CCN=CNCCF;VPTJFVIVWUWLBT-UHFFFAOYSA-N;118.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126011;MM126011;CNN=CNCCN;YFGBEWYQWAIBNI-UHFFFAOYSA-N;116.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126012;MM126012;CC(=O)NNC(=NO)NO;UVKBBIPWDDXCQY-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126013;MM126013;CN=CNC(=O)NCC=O;AXGANGOKNYXJIX-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126014;MM126014;CCON=CNNC;JKFKQUAUWBFXJK-UHFFFAOYSA-N;117.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126015;MM126015;CCC=NNCCC;UMOZTPPKYZWOTB-UHFFFAOYSA-N;114.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126016;MM126016;C#CCC(CF)NC=NO;FPHUUSVWANASJC-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126017;MM126017;CCC=NNCCN;JEBAPRWLKJWRTE-UHFFFAOYSA-N;115.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126018;MM126018;NCCNN=CCO;CMPFQSYPUMXWSF-UHFFFAOYSA-N;117.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126019;MM126019;NCCNN=CCF;NOKCRPAYLJYVJJ-UHFFFAOYSA-N;119.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126020;MM126020;CCC=CC(=NC)NC=O;UOQXRZUXCSUDNS-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126021;MM126021;N=CNC(=O)C1(C=O)CC1;JCWSDJMCJDMZBB-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126022;MM126022;CN1C=NC(C#N)CC1=O;JDMRKXRYBOIBNG-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126023;MM126023;C=CC=C1C=CC(=NO)C1;RINWTULIXISVKK-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126024;MM126024;COC=NNCCN;IDGDHAFZHYKDMQ-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126025;MM126025;C#CCC1=CNC(=NO)C1;QOEMHRYGQNEMHT-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126026;MM126026;CCC=COCCC;VRQUKYVFVRNCOK-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126027;MM126027;CCCOC=CCN;IGXRVLJSVNOOLS-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126028;MM126028;CCCOC=CCO;KOMFUUNFZMZFQK-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126029;MM126029;CCCOC=CCF;NXBYKODLKNAVSV-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126030;MM126030;CCC=COCCN;WYIWDDBGDBVVID-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126031;MM126031;NCC=COCCN;VJGNNVNMWUGRQO-UHFFFAOYSA-N;116.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126032;MM126032;NCCOC=CCO;FRJLTGPUSPXINK-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126033;MM126033;CCC=COCCO;JJWWPYANGKCLRB-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126034;MM126034;NCC=COCCO;ZJGMJBHYJUONLT-UHFFFAOYSA-N;117.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126035;MM126035;CCC=COCCF;UXUIEOQRGWVDQG-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126036;MM126036;CCCOC=COC;KCEAXRCLLADEFG-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126037;MM126037;COC=COCCF;NNECVGOZUYVQBS-UHFFFAOYSA-N;120.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126038;MM126038;CCC=COCOC;QLSRQCASALCSEO-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126039;MM126039;COCOC=CCN;GQWBHVMGLUGMQA-UHFFFAOYSA-N;117.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126040;MM126040;CNN=COCCN;KFNODHPRQAZMQJ-UHFFFAOYSA-N;117.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126041;MM126041;C=CC1=NN=C(NN)C1C;LYLNGOXKCLRKMZ-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126042;MM126042;CCCOC=NOC;WWRKQWPSYRKWHH-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126043;MM126043;CON=COCCN;MTVZJDXPZVTIDG-UHFFFAOYSA-N;118.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126044;MM126044;CCC=NOCCC;WJMNMFFXPVKOAD-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126045;MM126045;N=C(C=CN)NC=O;WXVMYOXSOXCWEL-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126046;MM126046;NCC=NOCCN;JNDIWSOLKSIJAF-UHFFFAOYSA-N;117.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126047;MM126047;NCCON=CCO;WQFSXLDJZZRZTN-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126048;MM126048;NCCON=CCF;ACMVTBIDAKPXOS-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126049;MM126049;CCC=C(C)C=NO;AESOCJPRFGKLKO-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126050;MM126050;CCCCC(C)=NO;WHXCGIRATPOBAY-UHFFFAOYSA-N;115.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126051;MM126051;CN1CCC(=NO)N1;AGPDLLMCUAAFCX-UHFFFAOYSA-N;115.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126052;MM126052;CCC=NOCCF;LUPKZFPSZFXPRF-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126053;MM126053;NCC=NOCCF;MLTXRIVVXBUDBU-UHFFFAOYSA-N;120.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126054;MM126054;CCCON=COC;ZSZXMAYMOVDRET-UHFFFAOYSA-N;117.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126055;MM126055;COC=NOCCN;XVZIFVXUFOIKML-UHFFFAOYSA-N;118.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126056;MM126056;C#CC(C#N)C1CN1;MCRWLDVTUXYQCF-UHFFFAOYSA-N;106.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126057;MM126057;C=CC=CCCCC;QTYUSOHYEPOHLV-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126058;MM126058;CCCCC=CC=O;NDFKTBCGKNOHPJ-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126059;MM126059;CCCCC=CC#N;JAIOXBDVPQJCCD-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126060;MM126060;C=CC=CCCCN;QTENFKHWGCAGRO-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126061;MM126061;C=C(C)N=C(C)NC=O;FMSBPWLQJIIOME-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126062;MM126062;C=CCC(C)=CC=NO;YCJPJMPSYULQFH-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126063;MM126063;C=CC=CCCCF;SIIDBJHRTFHCPO-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126064;MM126064;O=CC=CCCCF;BYOUELCNMQRERL-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126065;MM126065;N#CC=CCCCF;IIOJBZFKUKWDBU-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126066;MM126066;C=CC=CCCNC;HWCRUNXIRWRWKA-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126067;MM126067;CNCCC=CC#N;FHLZUQPNFBIIIC-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126068;MM126068;C=CC=CCCOC;VNWIBZOCTJSCKP-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126069;MM126069;COCCC=CC=O;NRWXESBFYQIDHW-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126070;MM126070;COCCC=CC#N;WOWIZZYTKKJGFM-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126071;MM126071;C=NN=CCCCC;MVIJJOWLNWJRLI-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126072;MM126072;C=NN=CCCCN;CCJBRFVTWPEYSI-UHFFFAOYSA-N;113.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126073;MM126073;C=C(C=O)C(=O)NC=N;PQRUGHAGXNDDGT-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126074;MM126074;C=NN=CCCOC;TVBRMAIUFNCDTD-UHFFFAOYSA-N;114.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126075;MM126075;C=CC=CCNCC;PBUJWTVESQJWOZ-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126076;MM126076;CCNCC=CC=O;OTUMWWSUBVOJOR-UHFFFAOYSA-N;113.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126077;MM126077;CCNCC=CC#N;NGOZFMHGNYIQEN-UHFFFAOYSA-N;110.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126078;MM126078;C=CC=CCOCC;FYFRTVKXHWMBDL-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126079;MM126079;CCOCC=CC=O;DHMUAVGMDLTRST-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126080;MM126080;CCOCC=CC#N;HVDQJBQEXXSNDH-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126081;MM126081;C=NN=CCOCC;ICOVEIZNVCBJTD-UHFFFAOYSA-N;114.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126082;MM126082;CCCNC=CC=O;GHUSKTMKVJDTNZ-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126083;MM126083;CCCNC=CC#N;YUOBYAGTIICTMA-UHFFFAOYSA-N;110.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126084;MM126084;O=CC=CNCCO;WPWWDPCQTLQNPB-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126085;MM126085;O=CC=CNCCF;OLTXYAVZFKNPLM-UHFFFAOYSA-N;117.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126086;MM126086;N=CNC=NCCN;URYJNBSTCLLHKT-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126087;MM126087;N=CNC=NCCO;XPSUYUGQMCTTJE-UHFFFAOYSA-N;115.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126088;MM126088;O=CNC=NCCO;KCOFQKMRDHWQIM-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126089;MM126089;O=CNC=NCCF;ZPMRZURQKJSSJH-UHFFFAOYSA-N;118.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126090;MM126090;C=CC(=NCC)NC=O;APFWIUKTOCYXOZ-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126091;MM126091;CCNN=CNC=N;PJRUFMBLKZLZFZ-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126092;MM126092;CCNN=CNC=O;CZYYUAPDLQZUQM-UHFFFAOYSA-N;115.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126093;MM126093;C=C1CC(=NO)C=C1C;QDXKYPLUJFXPTI-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126094;MM126094;C=CC=NNCCF;JVSXJAXBBFNRPG-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126095;MM126095;C=CC=COCCC;ZJPIDEBDOAPXGT-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126096;MM126096;CCCOC=CC=O;RXHPENFRMNRFKI-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126097;MM126097;CCCOC=CC#N;LBLTWXAKZNCZLY-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126098;MM126098;O=CC=COCCO;CBBRLLXTOYOZJH-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126099;MM126099;C=CC=COCCF;XDGOFYKKHYKFCU-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126100;MM126100;O=CC=COCCF;UPRFZYRPRBQHCA-UHFFFAOYSA-N;118.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126101;MM126101;N#CC=COCCF;YFNPRHAKADYUDX-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126102;MM126102;C=CC=COCOC;WXQQWFCSJKDNLW-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126103;MM126103;COCOC=CC=O;DAWUJAQCYCXXRG-UHFFFAOYSA-N;116.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126104;MM126104;C=NN=COCCC;LZYULXCJINUNHW-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126105;MM126105;C=NN=COCCF;ANPIJLBTBUSEOI-UHFFFAOYSA-N;118.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126106;MM126106;C=CC=NOCCC;DBINVSWDUAYRNX-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126107;MM126107;CCCON=CC=O;FFZDVFBNHMZSPJ-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126108;MM126108;CNc1cc(F)c(F)[nH]1;NRYXPQNYSNETDH-UHFFFAOYSA-N;132.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126109;MM126109;C=CC=NOCCF;IWLUZICOSVNGMB-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126110;MM126110;O=CC=NOCCF;RQQYNQTZQQJEQM-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126111;MM126111;COCON=CC=O;JKRVMRKCDISSHS-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126112;MM126112;C#CC=CCCCC;FCNAWUZWKZOHKE-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126113;MM126113;C#CC=CCCCN;NAIKSHAECMTGPU-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126114;MM126114;C=C1CCC(=N)NC1=O;QGOUCBAVPWRGKD-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126115;MM126115;C#CC=CCCCF;XRCPTGMAXFWDOI-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126116;MM126116;C#CC=CCCNC;FNFQKXJOKOIPOX-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126117;MM126117;C#CC=CCCOC;JUQNLQQFPWELAK-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126118;MM126118;C#CC=CCNCC;UMGPSKABHBZRJP-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126119;MM126119;C#CC=CCOCC;DBZOKJWDDQPZDP-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126120;MM126120;C#CC=NNCCN;OLNPYXCHVAYVHP-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126121;MM126121;Cc1c(N)[nH]oc1=NN;JKYUMURMEQBOBO-UHFFFAOYSA-N;128.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126122;MM126122;C#CC=COCCC;VXAKGIGHWVZPKI-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126123;MM126123;C#CC=COCCF;TVUZSUDUYCORGI-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126124;MM126124;C#CC=COCOC;GCOCDKXJDBDYLL-UHFFFAOYSA-N;112.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126125;MM126125;C#CC=NOCCC;QCNGXYLOCVARPW-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126126;MM126126;C#CC=NOCCF;IUQOQVLNKOWOAZ-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126127;MM126127;C=CCCC=CCC;HITROERJXNWVOI-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126128;MM126128;C=CCCC=CCN;GAQGAZQNAHXFLR-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126129;MM126129;C=CCCC=CCO;HWUMVJBWKZMIKH-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126130;MM126130;C=CCCC=CCF;QHUNGHRJHONKMF-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126131;MM126131;CCC=CCCC=O;VVGOCOMZRGWHPI-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126132;MM126132;CCC=CCCC#N;SSSHLJHNVHOOQF-UHFFFAOYSA-N;109.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126133;MM126133;N#CCCC=CCO;OPVRIDGAFQBRFB-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126134;MM126134;O=CCCC=CCF;PHWRBNYTXLQSPK-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126135;MM126135;N#CCCC=CCF;ZLMMOYVAQUFTSU-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126136;MM126136;C=CCCC=COC;WGSKIBSZORNXBI-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126137;MM126137;COC=CCCC=O;FISGUSBIOLWRLH-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126138;MM126138;COC=CCCC#N;VIEIRGZOJDEVOI-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126139;MM126139;C=CCCC=NNC;ZAROTIWANSHJQI-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126140;MM126140;C=CC(CC1CC1)=NO;SSXBVTBKEMJIPI-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126141;MM126141;C=CCCC=NOC;NVGHPGJVRXJPSO-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126142;MM126142;CCC=CCNC=N;OGDXXWOIACOWLF-UHFFFAOYSA-N;112.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126143;MM126143;N=CNCC=CCN;PNKMJVJQJXHJNW-UHFFFAOYSA-N;113.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126144;MM126144;N=CNCC=CCO;UOGYQLFAXPODOF-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126145;MM126145;N=CNCC=CCF;MMXCOKFPNGWTQK-UHFFFAOYSA-N;116.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126146;MM126146;COC=CC(=O)NC(C)=N;AQSXWCOVDVZOON-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126147;MM126147;O=CNCC=CCO;BEDDZUGXPRYOCF-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126148;MM126148;COC=CCNC=N;HJPNIAUPQYMQJU-UHFFFAOYSA-N;114.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126149;MM126149;C=NNCC=CCC;MNUOBANTGFMDRF-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126150;MM126150;CNN=CCNC=N;PLFLDXANAUWWCY-UHFFFAOYSA-N;114.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126151;MM126151;C=C(C)C(=O)NC(C)=NC;FLOHOYYTRAEYCI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126152;MM126152;CC(C=C(N)C(C)C)=NO;XBZRFNCXBYWHAZ-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126153;MM126153;C=COCC=CCC;WDNBAAJKQFTLPA-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126154;MM126154;C=COCC=CCN;SATANHMFGVBSEE-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126155;MM126155;C=COCC=CCO;RLKMXQSXRRUJDP-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126156;MM126156;CCC=CCOC=O;KRGRMQNSLIDDKQ-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126157;MM126157;C=COCC=COC;RYRJIDZCXCXZJE-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126158;MM126158;C=NOCC=CCC;RJJIJKBPWJODBS-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126159;MM126159;C=NOCC=CCF;ZLVHWLAUXGXYFJ-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126160;MM126160;C=NOCC=COC;MEQJSVJCCORPLM-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126161;MM126161;C=C(CC)N=C(C)NC=O;UPZYCVGHCJUCTE-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126162;MM126162;C=CCNC=NCC;FOQASJJINIHEQK-UHFFFAOYSA-N;112.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126163;MM126163;CCN=CNCC=O;ROECLNHQZDPTMB-UHFFFAOYSA-N;114.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126164;MM126164;CC1(C)NNC(=O)C1(C)C;PRYQTEJTGGLWIS-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126165;MM126165;CCN=CNNC=N;HVLLHHOOYOYSGF-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126166;MM126166;CNN=CNNC=N;PZPGMTKAEKFVHA-UHFFFAOYSA-N;115.14;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126167;MM126167;N#CCCN=CNC(N)=O;MMVHKHDUWKGOGE-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126168;MM126168;CON=CNNC=N;XBFKKAXRQQCJQK-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126169;MM126169;C#CCN(C)C(=O)NC=N;KFRGQWJLYKWEAX-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126170;MM126170;N=C(N)C(=O)N=CNC=O;AQYXYQWDUYRCHM-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126171;MM126171;C=CC(=C)C(=C)C(C)=NO;YGOBYQLNAOSXAX-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126172;MM126172;N=C(NC=CF)C(=O)NN;CPJFEZBPCOTDHT-UHFFFAOYSA-N;146.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126173;MM126173;CNC(=O)NC=NCCO;WSUFJSNTJCQYTO-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126174;MM126174;NNC(=O)C(C=CF)CF;KJRWMAFWLFDJHQ-UHFFFAOYSA-N;150.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126175;MM126175;C=CCOC=CCC;GBBZXFKZUWHVEN-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126176;MM126176;C=CCOC=CCO;MQPSYCCKBCCXBD-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126177;MM126177;C=CCOC=CCF;VGKPWJDAGRTZFK-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126178;MM126178;CCC=COCC=O;UYKCZXKFNWRURW-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126179;MM126179;CCC=COCC#N;LTOMBURORZFYLS-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126180;MM126180;O=CCOC=CCO;FLLZBVMIUYRYDJ-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126181;MM126181;N#CCOC=CCO;TUAWEJAPVWAIEI-UHFFFAOYSA-N;113.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126182;MM126182;N#CCOC=CCF;LBSBMIWBGQDPQJ-UHFFFAOYSA-N;115.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126183;MM126183;C=CCOC=COC;XJHGRXBSSPZQIB-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126184;MM126184;Nc1c(F)c(F)n(O)c1N;WCIYSVAHGVBYOL-UHFFFAOYSA-N;149.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126185;MM126185;C=CCOC=NOC;OXNGKRKMQFKGNT-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126186;MM126186;CNNC(=O)N(C=N)C=O;GTSHLPAHLJQTLI-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126187;MM126187;CON=CONC=N;GUUOUTQSSNICNC-UHFFFAOYSA-N;117.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126188;MM126188;CON=CONC=O;BOQBFNIILSFLNL-UHFFFAOYSA-N;118.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126189;MM126189;C=CCON=CCC;LJKCRSWGNUBHOB-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126190;MM126190;C#CC1(CNC=NO)CO1;QIFMTVFZENZNSH-UHFFFAOYSA-N;140.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126191;MM126191;N=C(NC=O)C1(C=O)CC1;QQBQOUGUKMKSHI-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126192;MM126192;CC12C=CC(=NO)CC1C2;WWEWXRHZUXWVAS-UHFFFAOYSA-N;137.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126193;MM126193;C=CCON=COC;GFHNDYDQFAPVQE-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126194;MM126194;C=CNC1=NN=C(CC)C1;PZGUSTSYWXWXKC-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126195;MM126195;C=CC=CCCC=C;ZTJHDEXGCKAXRZ-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126196;MM126196;C=CCCC=CC=O;PTWMQFJQDUYEGQ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126197;MM126197;C=CCCC=CC#N;BHMQZUGZYQLEOU-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126198;MM126198;C=CC=CCCC#N;QZAVXYHBZXJTFL-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126199;MM126199;O=CC=CCCC=O;LNRGVCBUONGIKW-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126200;MM126200;N#CC=CCCC=O;ZPJDKJKCNFLDSH-UHFFFAOYSA-N;109.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126201;MM126201;CC12C=CC(=NO)C(C1)C2;GKKHKLFIYBVZBY-UHFFFAOYSA-N;137.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126202;MM126202;C=NN=CCCC#N;ZHNQAXJJGNZQER-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126203;MM126203;C=CC=CCNC=N;DJPFYLOHDNPOEG-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126204;MM126204;CCC(C=CC1CC1)=NO;LMUHWPQBWSEMGR-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126205;MM126205;C=CC=CCNN=C;OIXXFKURIKYRSS-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126206;MM126206;C=NNCC=CC=O;GYKXSNPZMPUNLC-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126207;MM126207;C=NN=CCNC=O;CKQIZMGSJSXIEQ-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126208;MM126208;C=NN=CCNN=C;QBAGGFPSIQKWHD-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126209;MM126209;C=CC=CCOC=C;GTSBFMHLUJUKRX-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126210;MM126210;C=COCC=CC=O;ZJUOIMDWPUGALP-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126211;MM126211;C=COCC=CC#N;DRKXRCDPGQECPU-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126212;MM126212;C=CC=CCOC=O;SSSNCAPOMXGERF-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126213;MM126213;O=CC=CCOC=O;UACBKNYPZHAONL-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126214;MM126214;N#CC=CCOC=O;MLYJNZLLWMUJHR-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126215;MM126215;C=CC=CCON=C;FSGIHHJCSKXDIT-UHFFFAOYSA-N;111.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126216;MM126216;C=NOCC=CC=O;BXRSTUWLQVMBGW-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126217;MM126217;C=COCC=NN=C;WJADCSQISWGEMU-UHFFFAOYSA-N;112.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126218;MM126218;C#CCC(=O)NC=N;WHCHHSZWGABMNR-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126219;MM126219;C=NN=CCON=C;KNXKDTHSKZCMNI-UHFFFAOYSA-N;113.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126220;MM126220;O=CC=CNCC=O;PUUORQBXBIDPMN-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126221;MM126221;N#CCNC=CC=O;OLLXGQCIXFLICC-UHFFFAOYSA-N;110.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126222;MM126222;C=CCN=CNC=N;DGLHJNWEKAEVJH-UHFFFAOYSA-N;111.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126223;MM126223;C=CCN=CNC=O;DQRAYJLSVBIQGQ-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126224;MM126224;O=CCN=CNC=O;VYGIVSIOMQQNJD-UHFFFAOYSA-N;114.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126225;MM126225;CN=CNC(=O)NC;NDWFVNBAVIBVNC-UHFFFAOYSA-N;115.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126226;MM126226;CNc1nc(C)n[nH]1;RXSUYWQPZGLDMD-UHFFFAOYSA-N;112.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126227;MM126227;N#CC=CNNC=N;OWTZDEOADYMNSZ-UHFFFAOYSA-N;110.12;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126228;MM126228;O=CC=CNNC=O;GXOBDSWWZUDNJS-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126229;MM126229;N#CC=CNNC=O;GDBWARYZVAOGJL-UHFFFAOYSA-N;111.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126230;MM126230;C=NN=CNNC=N;WPJYSPGYLHEODW-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126231;MM126231;N=CNC(=O)N1CC1;LKPRORGEPTWFLM-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126232;MM126232;CC(C=NO)=CC(C)C;LKIZKOGOXXYBSK-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126233;MM126233;C=CC=COCC=C;JMGGCCBNECCLQD-UHFFFAOYSA-N;110.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126234;MM126234;C=CCOC=CC=O;WWSQDTBRSKBAOB-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126235;MM126235;C=CCOC=CC#N;OTSICPBUWLTLKM-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126236;MM126236;C=CC=COCC=O;RWOCOJOORVSNJV-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126237;MM126237;C=CC=COCC#N;ATEQLDSYVZJTRT-UHFFFAOYSA-N;109.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126238;MM126238;N#CC=COCC=O;BLCDAUMCDRDYLN-UHFFFAOYSA-N;111.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126239;MM126239;C=CCOC=NN=C;XSKSMJQCQDEOKX-UHFFFAOYSA-N;112.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126240;MM126240;C=NN=CONC=O;YLOJBOVCVQMMNY-UHFFFAOYSA-N;115.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126241;MM126241;C=CC=NOCC=C;ZVOIIRFFPSWWIM-UHFFFAOYSA-N;111.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126242;MM126242;CC1(C)CC(=NO)NN1;NIEYYXPHIZBSNT-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126243;MM126243;C#CC=CCCC=C;JHKRUZCFDHCMMA-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126244;MM126244;C#CC=CCCC=O;YRECRKIJQVVIBQ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126245;MM126245;C#CC=CCCC#N;CUICBAIKKLCHSM-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126246;MM126246;C#CC=CCNC=N;WHUYTXMBDCCWIZ-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126247;MM126247;C#CC=CCNC=O;RLZYEQYBSMYKTK-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126248;MM126248;C#CC=CCOC=C;IHFTZRNCPZIRJI-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126249;MM126249;C#CC=CCON=C;NIJLZEASFVLDFC-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126250;MM126250;C#CC=COCC=C;MSNOSHZSOQHXGF-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126251;MM126251;C#CC=NOCC=C;GTFFYAHCQSEYSH-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126252;MM126252;C#CCCC=CCC;AQVJJJCTUUAYPG-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126253;MM126253;C#CCCC=CCN;ZFYYIFIZMFILDR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126254;MM126254;C#CCCC=CCO;WYTSIZAWIRIMJE-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126255;MM126255;C#CCCC=CCF;RNATWVITHDHDLR-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126256;MM126256;C#CCCC=NNC;NEHXUISPQUGSET-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126257;MM126257;C#CCCC=NOC;UXUXEHLQTCNLBM-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126258;MM126258;C#CCNC=NCC;HSWYHTONUTYYHB-UHFFFAOYSA-N;110.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126259;MM126259;C#CCNN=CCC;FHCMCEOAXMMCOI-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126260;MM126260;C#CCOC=CCC;IPODKCQUIYZFHJ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126261;MM126261;C#CCON=CCC;FPVDDICLZZKQQH-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126262;MM126262;CC(CCC(C)C)=NO;ZVZUNLVAVHYXNI-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126263;MM126263;C#CCCC=CC=C;YAGKQXJVVLDGJM-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126264;MM126264;C#CCCC=CC=O;WNKLYHRBHZBCJH-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126265;MM126265;C#CCCC=CC#N;FVEYHVNVHJBLHL-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126266;MM126266;C#CCCC=NN=C;MJVCPKILXPZTTM-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126267;MM126267;C#CCNC=CC#N;JWKSQOZVYXZPKC-UHFFFAOYSA-N;106.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126268;MM126268;C#CCN=CNC=N;MODDJNTUWUBIKO-UHFFFAOYSA-N;109.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126269;MM126269;C#CCN=CNC=O;NAHCMTYERLGSEV-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126270;MM126270;C#CCOC=CC=C;KEUJKZGKWWEBIO-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126271;MM126271;C#CC=CCCC#C;VSXKQQYADSGWNU-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126272;MM126272;CCNC(=O)NC=NC;WTGWQENBAMNNGH-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126273;MM126273;C#CC=COCC#C;HLIDEEIBBGHWON-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126274;MM126274;C#CC=NOCC#C;MRTASOAJKRAHBR-UHFFFAOYSA-N;107.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126275;MM126275;CC=CCC=CCC;GDDAJHJRAKOILH-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126276;MM126276;CC=CCC=CCN;XPFKOUGTQUFLMV-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126277;MM126277;CC=CCC=CCO;ZKKRKBOEKNOTPX-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126278;MM126278;CC=CCC=CCF;RETPBRRTCIDDRP-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126279;MM126279;CCC=CCC=CF;GTFZULUTADAOIG-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126280;MM126280;NCC=CCC=CF;XXEVAXZVPDTFOV-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126281;MM126281;CC=CCC=COC;BKQLWBHUGWBTGW-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126282;MM126282;COC=CCC=CF;XGQXRVFXGMDQLL-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126283;MM126283;CCC=CCC=NN;BGPKMSMRYMNWKW-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126284;MM126284;NN=CCC=CCF;DKGVVHVUVLQLHT-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126285;MM126285;CCC=CCC=NO;ULOJREHWZHFCKC-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126286;MM126286;COC=CCC=NN;JUUDENCCZNMYMG-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126287;MM126287;CC=CCC=NNC;CSPQVDPLWSHZDK-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126288;MM126288;CC=CCC=NOC;OPXWXXBJLFTETM-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126289;MM126289;CON=CCC=CF;MKJNOFNLXUOQGN-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126290;MM126290;CCC=CN=CNC;ISOIWIUJYQQRJE-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126291;MM126291;CN=CNC=CCN;TWWCTGHVHLCCJY-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126292;MM126292;CCC=CN=CNN;RBIUZDLXOGTAMF-UHFFFAOYSA-N;113.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126293;MM126293;NCC=CN=CNO;LTQABDLHVYJMOQ-UHFFFAOYSA-N;115.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126294;MM126294;CC=CNC=NCC;YPHCQPMZGRZDCJ-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126295;MM126295;CON=CNC=CF;SIPOSGOLICMPCR-UHFFFAOYSA-N;118.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126296;MM126296;CCNC=NC=NO;VJDXNVJIPAEXFN-UHFFFAOYSA-N;115.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126297;MM126297;CNC=NC=NNC;QHMKMWSQJFYEDJ-UHFFFAOYSA-N;114.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126298;MM126298;CNNC=NC=NO;GFSJVUKKQDQHTM-UHFFFAOYSA-N;116.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126299;MM126299;CC#CCC(=O)NC=N;FRYZFYOTEUQWKW-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126300;MM126300;N=C(C=CC=O)NC=O;QNKWOUACTOWJSS-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126301;MM126301;CCCCCC(C)=NO;NGTGENGUUCHSLQ-UHFFFAOYSA-N;129.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126302;MM126302;CCN=CNC(=O)NC;ZMUKQRVVLSQRQG-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126303;MM126303;COC(=N)N=CNC=O;FNNDRFHKUASUOT-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126304;MM126304;C#CC(N)C(=O)NC=O;VUHDCBDBQBOJNJ-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126305;MM126305;CC=COC=CCC;BDJSOOUWCKJJQE-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126306;MM126306;CC=COC=CCN;YPMWIXATGLJSBH-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126307;MM126307;CC=COC=CCO;WYRCPINOIHDAOU-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126308;MM126308;CC=COC=CCF;BBZDVDYFFOIJPD-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126309;MM126309;CCC=COC=CF;TZZYCYGCOOEOEW-UHFFFAOYSA-N;116.14;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126310;MM126310;NCC=COC=CF;IOLRQLMYIVFYIL-UHFFFAOYSA-N;117.12;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126311;MM126311;OCC=COC=CF;ATESLKDQEDGJEK-UHFFFAOYSA-N;118.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126312;MM126312;COC=COC=CF;XLKSEWAYHJMFFZ-UHFFFAOYSA-N;118.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126313;MM126313;C=C1C=CC(=NO)C1C;ZJTPJRAWWCNQJX-UHFFFAOYSA-N;123.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126314;MM126314;CCC=COC=NO;CVCBIYCCSKCIEU-UHFFFAOYSA-N;115.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126315;MM126315;ON=COC=CCF;BWULHIOZVDRENI-UHFFFAOYSA-N;119.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126316;MM126316;CC=COC=NOC;NRWQZGJQCJPQNW-UHFFFAOYSA-N;115.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126317;MM126317;CON=COC=CF;JHITWEYHZIZGRS-UHFFFAOYSA-N;119.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126318;MM126318;N=C1C(C=O)=CCN1O;FNZITJOWWRXHGQ-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126319;MM126319;OCC=NOC=NO;SYLWNRBOESYZLS-UHFFFAOYSA-N;118.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126320;MM126320;C=CC=CCC=CC;PKHBEGZTQNOZLP-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126321;MM126321;CC=CCC=CC=O;WIONXCNKPYWFFG-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126322;MM126322;CC=CCC=CC#N;RGAPODNKGSWADI-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126323;MM126323;C=CC=CCC=CF;OBTAJPFLNIUDQJ-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126324;MM126324;O=CC=CCC=CF;KEYQVHAUKHTCRV-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126325;MM126325;C=CC=CCC=NO;BLNOBJNBFOXDID-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126326;MM126326;C=NN=CCC=CC;HLXVHDPJHGVVFW-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126327;MM126327;C=NN=CCC=CF;YISOFDYPWYLGNI-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126328;MM126328;C=NN=CCC=NO;MVSHZENVOCYSIG-UHFFFAOYSA-N;113.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126329;MM126329;C=CC=CNC=NC;MCCBMMKFWLFONP-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126330;MM126330;C=CC1(C(O)C#N)CN1;SPMOEEGGDXJXCW-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126331;MM126331;N=CNC=NC=CF;HPRYPZRMINSRKL-UHFFFAOYSA-N;115.11;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126332;MM126332;O=CNC=NC=CF;FVNFTUCXFPIDBA-UHFFFAOYSA-N;116.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126333;MM126333;C=CC1CNC(=NO)C1;NGXNLWLULJQNBY-UHFFFAOYSA-N;126.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126334;MM126334;C=CC1C=CC(=NO)N1;RPPVPJHPPNCGJM-UHFFFAOYSA-N;124.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126335;MM126335;CN=CN=CNC=N;UFXVDLKJLIKRSW-UHFFFAOYSA-N;112.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126336;MM126336;N=C(CF)N=CNC(N)=O;DWMGUBOAFOAVID-UHFFFAOYSA-N;146.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126337;MM126337;N=CNC=NC=NN;IQIIUTIIRQPKIA-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126338;MM126338;NN=CN=CNC=O;IFXFSFZTISDJIP-UHFFFAOYSA-N;114.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126339;MM126339;N=CNC=NC=NO;ZPSRSRYAFQQAHH-UHFFFAOYSA-N;114.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126340;MM126340;O=CNC=NC=NO;QTTOVLOTAVZZJV-UHFFFAOYSA-N;115.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126341;MM126341;C=NNC=NC=NO;FYPWLLAVLYKZIU-UHFFFAOYSA-N;114.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126342;MM126342;C=CC(=O)NC=NC(C)=N;UVXHPFJXYZLHSY-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126343;MM126343;CCOC(=N)N=CNC=O;KZGOZFPFGDJHFU-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126344;MM126344;O=CC=NNC=NO;KUWBFQNBPZADEH-UHFFFAOYSA-N;115.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126345;MM126345;C=CC=COC=CC;RQOQJZJPBFGEDA-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126346;MM126346;CC=COC=CC=O;YFQOIRFIUGCLLP-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126347;MM126347;CC=COC=CC#N;AFWLXJDVVVCLIP-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126348;MM126348;C=CC=COC=CF;QDYVFFSPZDNTSM-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126349;MM126349;O=CC=COC=CF;QYOGVYWVDFHFDU-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126350;MM126350;N#CC=COC=CF;PMVCYXSTKQBZFE-UHFFFAOYSA-N;113.09;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126351;MM126351;CCC#CCC(=O)NC=N;NOETVVWDVZQCQX-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126352;MM126352;C=CC=COC=NO;JWNSORPLUOQDDR-UHFFFAOYSA-N;113.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126353;MM126353;C=NN=COC=CC;SCLNGSDONNKZNU-UHFFFAOYSA-N;112.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126354;MM126354;C=NN=COC=CF;WIXBKKNSHNINOS-UHFFFAOYSA-N;116.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126355;MM126355;N=CNC(=O)CC#CC=O;DEEYQMCKORHVON-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126356;MM126356;C#CC=CCC=CC;XWZLUOQXKVZTBH-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126357;MM126357;C#CC=CCC=CF;ZBKCYHIKZSSOLC-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126358;MM126358;C#CC=CCC=NN;QJJQIZPURVBRJG-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126359;MM126359;C#CC=CNC=NC;FISVLMZRVKYREO-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126360;MM126360;CCC=CN=C(C)NC=O;ZOKQGHXKKQCMCZ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126361;MM126361;C#CC=COC=CF;CBFCVZAJEJFBJR-UHFFFAOYSA-N;112.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126362;MM126362;CC#CCC=CCC;CLJGFLUQVGVHRX-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126363;MM126363;CC#CCC=CCN;QKXPUVNKCCQVOA-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126364;MM126364;CC#CCC=CCO;VOMXLRSPTKFZKJ-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126365;MM126365;CC#CCC=CCF;SGNKBFIRYRNNBA-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126366;MM126366;CC#CCC=COC;FFZNGJQEWAEIKJ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126367;MM126367;CC#CCC=NNC;XGUKATXKYBRZND-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126368;MM126368;CC#CCC=NOC;ULTRDLDWRJQELU-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126369;MM126369;C=CC=CCC#CC;GHKXAQKAHTURFL-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126370;MM126370;CC#CCC=CC=O;ZEGNWHBKIUQCNK-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126371;MM126371;C=NN=CCC#CC;KFQQKUJJQAMDDG-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126372;MM126372;C#CC=CCC#CC;JDIZJHIDLQUJTI-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126373;MM126373;CCC#CCCCC;UDEISTCPVNLKRJ-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126374;MM126374;CCCCC#CCN;QXYBQLJHJDODAR-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126375;MM126375;CCCCC#CCO;OGDYROFIIXDTQK-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126376;MM126376;CCCCC#CCF;XRYNOZSOMKYYGG-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126377;MM126377;CCC#CCCCN;VFQOHGYWZPEAME-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126378;MM126378;NCCCC#CCF;OKUZKAYVYKJPAP-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126379;MM126379;CCC#CCCCO;XLTJVODPJJDQNG-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126380;MM126380;OCCCC#CCF;RVESISOHRGSBHS-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126381;MM126381;CCC#CCCCF;WODLTSZMAORLRW-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126382;MM126382;NCC#CCCCF;WATQQGDQWXYOIC-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126383;MM126383;OCC#CCCCF;HBIMMBRYCLLVDJ-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126384;MM126384;FCC#CCCCF;CXARBAZXWIYMRT-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126385;MM126385;CCC#CCCNC;AIMCKQUTXNDRGE-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126386;MM126386;CNCCC#CCO;NVARWSDSQJEBRF-UHFFFAOYSA-N;113.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126387;MM126387;CNCCC#CCF;HZMFXOXHHOOPCZ-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126388;MM126388;CCC#CCCOC;HNSXZGSFIHGOMS-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126389;MM126389;COCCC#CCF;CXYKTZJJGOBUMU-UHFFFAOYSA-N;116.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126390;MM126390;CCC#CCNCC;ZVXDWWIRPYJFNH-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126391;MM126391;CCNCC#CCF;GCZLWNDOCQHXHA-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126392;MM126392;CCC#CCOCC;CZJRAKLNHAXUMW-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126393;MM126393;CCOCC#CCF;JSMYWMQMXPIJTA-UHFFFAOYSA-N;116.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126394;MM126394;C=CC#CCCCC;UEKPKVCWUZMBML-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126395;MM126395;CCCCC#CC=O;XWZLMLGAYCVWAU-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126396;MM126396;C=CC#CCCCN;FPHXCUFHPSMIOJ-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126397;MM126397;C=CC#CCCCO;GLNANPUUXOTFPH-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126398;MM126398;C=CC#CCCCF;BMLOTOLULDEAAZ-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126399;MM126399;O=CC#CCCCF;KWCCENCZZNGMFW-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126400;MM126400;C=CC#CCCNC;SXRHZTZZWXLYDV-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126401;MM126401;CNCCC#CC=O;ZGHOKDJXCHGOCU-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126402;MM126402;C=CC#CCCOC;ORUQTHSQRCOGHQ-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126403;MM126403;COCCC#CC=O;FIPYSXVTCAPYSY-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126404;MM126404;COCCC#CC#N;GCSUOHIXCCYKCW-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126405;MM126405;C=CC#CCNCC;BSHVFDKRAGUQJH-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126406;MM126406;CCNCC#CC=O;VSCABFHJNLCJLE-UHFFFAOYSA-N;111.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126407;MM126407;C=CC#CCOCC;SZHXYSRGCAPJLH-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126408;MM126408;CCOCC#CC=O;NBKXMPWLMYIQFZ-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126409;MM126409;CCOCC#CC#N;RDKQKBDQACKOIJ-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126410;MM126410;C#CC#CCCCC;ATBIPMKXEODDBH-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126411;MM126411;C#CC#CCCCN;YCOBRYANUYKPOE-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126412;MM126412;C#CC#CCCCO;FLOAMRNSRRMWJD-UHFFFAOYSA-N;108.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126413;MM126413;C#CC#CCCCF;JHOUIQBEUNKXBD-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126414;MM126414;C#CC#CCCNC;AUOZIHXCIXRWGV-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126415;MM126415;C#CC#CCCOC;AMLGVELEMBWZRG-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126416;MM126416;C#CC#CCNCC;MSGXMZXILWMVOJ-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126417;MM126417;C=CCCC#CCC;OABFYFSKKMIKPL-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126418;MM126418;C=CCCC#CCN;FULZWKRUWLEBLS-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126419;MM126419;C=CCCC#CCO;OVMJQOAVZATOJK-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126420;MM126420;C=CCCC#CCF;FFBAAQZHLJFVMB-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126421;MM126421;CCC#CCCC=O;OFCRWKNWYKHWOS-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126422;MM126422;CCC#CCCC#N;YYCRQOZNVRXKLS-UHFFFAOYSA-N;107.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126423;MM126423;O=CCCC#CCF;SUAZGHRDYQQORE-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126424;MM126424;CCC#CCNC=N;UYYFSZJXXZXKFE-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126425;MM126425;N=CNCC#CCN;HHJKJXXGWNLAJU-UHFFFAOYSA-N;111.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126426;MM126426;N=CNCC#CCO;QHOPUPPOLJGKHA-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126427;MM126427;CCC#CCNC=O;YTFPIXANHIKVHV-UHFFFAOYSA-N;111.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126428;MM126428;NCC#CCNC=O;UOAUIQHGTHSTHK-UHFFFAOYSA-N;112.13;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126429;MM126429;O=CNCC#CCO;UFHMRXSBBGDPHT-UHFFFAOYSA-N;113.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126430;MM126430;C=CC=CN=C(C)NC=O;KUEGYPYDBLOFFE-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126431;MM126431;C=COCC#CCC;QNTIRVOSVTXKFR-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126432;MM126432;C=COCC#CCN;NJTMAUISSDOPBL-UHFFFAOYSA-N;111.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126433;MM126433;C=COCC#CCF;JLZPGMOBCXXFGB-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126434;MM126434;CCC#CCOC=O;ZRDDSZURHWGHGC-UHFFFAOYSA-N;112.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126435;MM126435;O=COCC#CCF;FDYVDISLTIWAJB-UHFFFAOYSA-N;116.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126436;MM126436;C=NOCC#CCC;BAPBUVSMQOKSIU-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126437;MM126437;C=NOCC#CCF;BHTPEOHREIYVBK-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126438;MM126438;C=CC#CCCC=C;ADWWHUUWQLWYJK-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126439;MM126439;C=CCCC#CC=O;VWRNVBFMGXJYPM-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126440;MM126440;C=CC#CCCC=O;HYIHNQQKSWAEGH-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126441;MM126441;C=CC#CCCC#N;IEPLEZLJGOQPRM-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126442;MM126442;O=CC#CCCC=O;XDMVYMGTECIDOC-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126443;MM126443;N#CCCC#CC=O;LOCCCGYOIRSTKX-UHFFFAOYSA-N;107.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126444;MM126444;C=CC#CCNC=N;VUZYIDDRZUHILO-UHFFFAOYSA-N;108.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126445;MM126445;N=CNCC#CC=O;FJJVKTNASJGQCW-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126446;MM126446;C=CC#CCNC=O;PKOQTGPLGRMBBC-UHFFFAOYSA-N;109.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126447;MM126447;C#CC=CN=C(C)NC=O;BFESUVZSORMIBI-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126448;MM126448;C=CC#CCOC=C;JMYZCAPLHYOLCH-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126449;MM126449;C=COCC#CC=O;KEBMPHODWYHRDD-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126450;MM126450;C=COCC#CC#N;YLJAWRGQLBAYMU-UHFFFAOYSA-N;107.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126451;MM126451;C=CC#CCOC=O;AKJAWSCUMKQNFM-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126452;MM126452;N#CC#CCOC=O;SWEBNIPMESBGLB-UHFFFAOYSA-N;109.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126453;MM126453;C=CC#CCON=C;GXDYWNBNRCSKKL-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126454;MM126454;CC#CC(N)C(=O)NC=O;BIMVOWNREMANCE-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126455;MM126455;C#CC#CCCC=C;UHGBVFXGHSBRQT-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126456;MM126456;C#CC#CCCC=O;LOJCIGCGSLITJB-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126457;MM126457;C#CC#CCCC#N;KRXWOKWUIXBBPD-UHFFFAOYSA-N;103.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126458;MM126458;C#CC#CCNC=N;OKUZYEGXDDWPKF-UHFFFAOYSA-N;106.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126459;MM126459;C#CC#CCNC=O;OWOGXCYHLBSHJC-UHFFFAOYSA-N;107.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126460;MM126460;C#CC#CCOC=C;DFYZNIYFPNCPNY-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126461;MM126461;C#CCCC#CCN;OXJINDNFHWZIPC-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126462;MM126462;C#CCCC#CCF;CTODIDZZSHNUPY-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126463;MM126463;CC=CCC#CCC;YNAUYRHPSXXKBA-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126464;MM126464;CC=CCC#CCN;NZMKPHGJMFUBDB-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126465;MM126465;CC=CCC#CCO;PHYAXJNGPOYIIR-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126466;MM126466;CC=CCC#CCF;QEKDWRWFYGJCNG-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126467;MM126467;CCC#CCC=CF;MDQRSWSTYOJEIG-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126468;MM126468;NCC#CCC=CF;GYQREKRACUICQG-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126469;MM126469;OCC#CCC=CF;XJFTYIKDMXUFIS-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126470;MM126470;FC=CCC#CCF;BGBBZBBQVZSDEZ-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126471;MM126471;CCC#CCC=NN;OCTSXXPDUMTBMG-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126472;MM126472;NNC(=O)COC(=O)CF;PYVSEAZRTGEQNI-UHFFFAOYSA-N;150.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126473;MM126473;NN=CCC#CCF;UKZQVVUAMVFMDN-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126474;MM126474;CCC#CCC=NO;ZWNRFDLWKKKYCK-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126475;MM126475;C=CC#CCC=CC;PLMGRMKZQICPBA-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126476;MM126476;CC=CCC#CC=O;AZKHTXYAQRAGHA-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126477;MM126477;C=CC#CCC=CF;GFFWLDOYMMWBMI-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126478;MM126478;O=CC#CCC=CF;BRHPKLJKSWVRJB-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126479;MM126479;C=CC#CCC=NN;BDGPHLOSDKTYQX-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126480;MM126480;C#CC#CCC=NN;CHIPZPVXOCKYSF-UHFFFAOYSA-N;106.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126481;MM126481;CC#CCC#CCC;BQASGYHPOCUOCS-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126482;MM126482;CC#CCC#CCN;IUINKEDEEMLOBC-UHFFFAOYSA-N;107.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126483;MM126483;CC#CCC#CCO;BVEQSIXEFHWQKV-UHFFFAOYSA-N;108.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126484;MM126484;CC#CCC#CCF;NVGICUYYWJWOHM-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126485;MM126485;CC#CCC#CC=O;UCBHQUCSTLUHHS-UHFFFAOYSA-N;106.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126486;MM126486;CCC=CC=CCC;HWXQYUCHSICMAS-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126487;MM126487;CCC=CC=CCN;IJJMZCGPOHVPPQ-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126488;MM126488;CCC=CC=CCO;MDRZSADXFOPYOC-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126489;MM126489;CCC=CC=CCF;AFILZGHKNFJYIS-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126490;MM126490;NCC=CC=CCN;RQSSAGYYIFWWCR-UHFFFAOYSA-N;112.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126491;MM126491;NCC=CC=CCO;ZDOYNKNJCWQFLR-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126492;MM126492;NCC=CC=CCF;SVGWNRYORUTFHT-UHFFFAOYSA-N;115.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126493;MM126493;OCC=CC=CCF;IZLRSPHOZSFECY-UHFFFAOYSA-N;116.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126494;MM126494;FCC=CC=CCF;RYNJLKDGFBUWEY-UHFFFAOYSA-N;118.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126495;MM126495;CCC=CC=COC;BKCSWIBWGZLUQN-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126496;MM126496;COC=CC=CCN;VFACIMWXCZZJDB-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126497;MM126497;COC=CC=CCO;WLDRSOBVLBKCPV-UHFFFAOYSA-N;114.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126498;MM126498;COC=CC=CCF;XXGKFOCYDASDII-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126499;MM126499;CCC=CC=NNC;JUAGJTHAJUHOKI-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126500;MM126500;CCC=CC=NOC;KVEXGAFMTLUCLB-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126501;MM126501;COC=CC=NOC;KSJJZHFBJZMDOS-UHFFFAOYSA-N;115.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126502;MM126502;CCC=NN=CCC;RPFMGCRMNJQDOS-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126503;MM126503;C=CC(=O)NC(CC)=NC;WIYKTQSYKPHWLO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126504;MM126504;FCC=NN=CCF;WNKRMQOSDZBPSI-UHFFFAOYSA-N;120.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126505;MM126505;CCC=NN=COC;CEUGOUHJWWVICZ-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126506;MM126506;COC=NN=CCF;RGISANYKXZKTEQ-UHFFFAOYSA-N;118.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126507;MM126507;C=CC=CC=CCC;HOXGZVUCAYFWGR-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126508;MM126508;CCC=CC=CC=O;SATICYYAWWYRAM-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126509;MM126509;CCC=CC=CC#N;PBPGHFJYCOSVGW-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126510;MM126510;C=CC=CC=CCN;XDWDPVVSOQHMKY-UHFFFAOYSA-N;109.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126511;MM126511;C=CC=CC=CCO;YGDXNKVVWAQSEN-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126512;MM126512;N#CC=CC=CCO;YCTBGVLLUNJOAN-UHFFFAOYSA-N;109.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126513;MM126513;C=CC=CC=CCF;JVIGILFNGLGFOW-UHFFFAOYSA-N;112.15;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126514;MM126514;O=CC=CC=CCF;PLXOEVZIEBKLLD-UHFFFAOYSA-N;114.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126515;MM126515;COC=CC=CC=O;SFMPYPCCSJOTID-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126516;MM126516;C=NN=CC=CCC;JNGJZVALHUPCSZ-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126517;MM126517;C=NN=CC=CCN;FAQXHFDNHFWDTL-UHFFFAOYSA-N;111.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126518;MM126518;CNNC(=NO)NOC=O;MHDAZTGORBCABY-UHFFFAOYSA-N;148.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126519;MM126519;C=NN=CC=CCF;HGQAJVMWWZHGHV-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126520;MM126520;C=NN=CC=COC;RQFPBMZQIUAWRM-UHFFFAOYSA-N;112.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126521;MM126521;C=CC=CC=NNC;XVABLLLMQFGUGH-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126522;MM126522;CNN=CC=CC=O;GNDUCFLGQMPUGH-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126523;MM126523;CCC=CN(C=NO)NC;ZGRNLPQLSLIHRJ-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126524;MM126524;C=NN=CC=NOC;JLTVFTZISLXIFN-UHFFFAOYSA-N;113.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126525;MM126525;C=CC=NN=CCC;UNCGQIHFDQRINU-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126526;MM126526;CCC=NN=CC=O;JOQDJDNUXNQVJH-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126527;MM126527;CCC=NN=CC#N;FHNMUAVZEHEHOP-UHFFFAOYSA-N;109.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126528;MM126528;C=CCC(=CC=NO)CC;YKLAOFCHNZAMEQ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126529;MM126529;O=CC=NN=CCF;BAQYBSCPDLOPMV-UHFFFAOYSA-N;116.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126530;MM126530;N#CC=NN=CCF;CFVWGEKBHODXTA-UHFFFAOYSA-N;113.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126531;MM126531;C=CC=NN=COC;HAAKAYCWFBRWQH-UHFFFAOYSA-N;112.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126532;MM126532;C#CC=CC=CCC;YGIWSKYNMAWJTK-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126533;MM126533;C#CC=CC=CCN;BNLMMBSSMPNXFM-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126534;MM126534;C#CC=CC=CCO;NAGGDXNHDQXVTI-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126535;MM126535;C#CC=CC=CCF;QEIJWALYKRHLCW-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126536;MM126536;C#CC=NN=CCC;KWEVPTAVICQOIC-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126537;MM126537;C=CC=CC=CC=C;VXQUABLSXKFKLO-UHFFFAOYSA-N;106.17;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126538;MM126538;C=CC=CC=CC#N;NUVWVUPJCXRIIW-UHFFFAOYSA-N;105.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126539;MM126539;O=CC=CC=CC=O;NDCAAPXLWRAESY-UHFFFAOYSA-N;110.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126540;MM126540;C=CC=CC=NN=C;IWANLQXSUYKEAV-UHFFFAOYSA-N;108.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126541;MM126541;C=NN=CC=CC=O;HFDCEHSTDHRONR-UHFFFAOYSA-N;110.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126542;MM126542;C=NN=CC=NN=C;JMKITJAPOJCGFA-UHFFFAOYSA-N;110.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126543;MM126543;C=CC=NN=CC=O;LFUZMBIUNOFUFS-UHFFFAOYSA-N;110.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126544;MM126544;C#CC=CC=CC=C;WUFYGWQBYHFXBY-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126545;MM126545;C#CC=CC=CC=O;MAMRPZLNRNLLQY-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126546;MM126546;CCC#CC=CCC;DEDXOXBKCFZRJB-UHFFFAOYSA-N;108.18;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126547;MM126547;CCC=CC#CCN;CTCIREGXKXDCKE-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126548;MM126548;CCC=CC#CCO;PWVLROAWCAEXBA-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126549;MM126549;CCC=CC#CCF;KHXZAILGGYVTLH-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126550;MM126550;CCC#CC=CCN;MHZYPAQJDPALGT-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126551;MM126551;NCC=CC#CCF;PASQONCFGCSYOV-UHFFFAOYSA-N;113.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126552;MM126552;CCC#CC=CCO;ZJHBTOUWFCJYQH-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126553;MM126553;NCC#CC=CCO;GCWVRLCVLZKDKX-UHFFFAOYSA-N;111.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126554;MM126554;OCC=CC#CCF;CAEADSKTAIRFRH-UHFFFAOYSA-N;114.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126555;MM126555;CCC#CC=CCF;UEPIHUYKHHTKIG-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126556;MM126556;FCC#CC=CCF;UONPBSMBJOEQOR-UHFFFAOYSA-N;116.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126557;MM126557;CCC#CC=COC;ZNASDLRHUGQKHK-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126558;MM126558;COC=CC#CCF;HQSVBJYYSHLWFG-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126559;MM126559;CCC#CC=NOC;OCHBMZXFGSIDPP-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126560;MM126560;CON=CC#CCN;YSWPZVCPZNWPIJ-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126561;MM126561;C#Cc1nc(C)n(O)c1C;HNWHURUBQZZVKZ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126562;MM126562;CON=CC#CCF;KTRVDQPUPCPWEJ-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126563;MM126563;C=CC#CC=CCC;XZHYZFBJVIAPLW-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126564;MM126564;CCC=CC#CC=O;GTVNEYOFNZVSLP-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126565;MM126565;C=CC#CC=CCN;OFIXCAHAAYRAEZ-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126566;MM126566;C=CC#CC=CCO;SLTXQIBNUIQJCO-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126567;MM126567;O=CC#CC=CCO;BWXJUOKMTWPTRO-UHFFFAOYSA-N;110.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126568;MM126568;N#CC#CC=CCO;LLHQHJFLHYISPY-UHFFFAOYSA-N;107.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126569;MM126569;C=CC#CC=CCF;IKKFBHBAMCKNJC-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126570;MM126570;N#CC#CC=CCF;LDUBDKMYTFDFIH-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126571;MM126571;C=CC#CC=COC;KCWBPRXTLIRDAL-UHFFFAOYSA-N;108.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126572;MM126572;COC=CC#CC=O;GUJCSPWXWYMVLB-UHFFFAOYSA-N;110.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126573;MM126573;C=CC#CC=NOC;FPUUVMHAOQZSCY-UHFFFAOYSA-N;109.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126574;MM126574;CON=CC#CC=O;NJFCTMKPLXBCLY-UHFFFAOYSA-N;111.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126575;MM126575;CON=CC#CC#N;WPYWQEPZYDZXAE-UHFFFAOYSA-N;108.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126576;MM126576;C#CC#CC=CCC;IRWVHCYAEQXADZ-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126577;MM126577;C#CC#CC=CCN;BVUOYWNUZVUFOL-UHFFFAOYSA-N;105.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126578;MM126578;C#CC#CC=CCO;GKGJXXRTVLLJCJ-UHFFFAOYSA-N;106.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126579;MM126579;C#CC#CC=CCF;IIGMICYNGOSDEQ-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126580;MM126580;C#CC#CC=COC;NFZJXILWWTUZDV-UHFFFAOYSA-N;106.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126581;MM126581;C#CC#CC=NOC;ZZDVIICUNJPLPD-UHFFFAOYSA-N;107.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126582;MM126582;C=CC=CC#CCC;GENOTZKVIJRVTO-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126583;MM126583;C=CC=CC#CCN;KPUCDYMCZUOIMA-UHFFFAOYSA-N;107.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126584;MM126584;C=CC=CC#CCO;PBPUNZKAFHWPJS-UHFFFAOYSA-N;108.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126585;MM126585;C=CC=CC#CCF;OAFGCZGDBQGVGC-UHFFFAOYSA-N;110.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126586;MM126586;CCC#CC=CC=O;PQEGCSHZLIDVNJ-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126587;MM126587;CCC#CC=CC#N;WGYFSROPBJLIOP-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126588;MM126588;O=CC=CC#CCF;SEWFCNBWFUMLHW-UHFFFAOYSA-N;112.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126589;MM126589;N#CC=CC#CCF;SDSRLCLYAKUSPT-UHFFFAOYSA-N;109.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126590;MM126590;C=NN=CC#CCC;IBUCPPCJNPFHFF-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126591;MM126591;C=NN=CC#CCF;GGTSBWNGNWUBEN-UHFFFAOYSA-N;112.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126592;MM126592;C=CC#CC=CC=C;DYQVQSUVEDCHDD-UHFFFAOYSA-N;104.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126593;MM126593;C=CC=CC#CC=O;PFKZZRQXAHHHDL-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126594;MM126594;C=CC#CC=CC=O;STMONIUFGQAVAB-UHFFFAOYSA-N;106.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126595;MM126595;N#CC=CC#CC=O;SHOZXURFLDQHNS-UHFFFAOYSA-N;105.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126596;MM126596;C=CC#CC=NN=C;LQAAGMDCYUTZMJ-UHFFFAOYSA-N;106.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126597;MM126597;C=NN=CC#CC=O;LFPMQAUUKSUGDU-UHFFFAOYSA-N;108.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126598;MM126598;C=NN=CC#CC#N;FNPYTVXRFXOSMP-UHFFFAOYSA-N;105.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126599;MM126599;C#CC#CC=NN=C;RSAHNLARJHGPLC-UHFFFAOYSA-N;104.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126600;MM126600;C#CC=CC#CCF;SURJBVGZODIELK-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126601;MM126601;CCC#CC#CCF;IKXRJWUMSOEYOG-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126602;MM126602;FCC#CC#CCF;PQYSKOSNGFRKAL-UHFFFAOYSA-N;114.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126603;MM126603;C=CC#CC#CCF;OCYZVPVHGKGLFZ-UHFFFAOYSA-N;108.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126604;MM126604;CCCC=CCCC;IRUCBBFNLDIMIK-UHFFFAOYSA-N;112.22;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126605;MM126605;CCCC=CCCN;UVFDZEUADUHSGG-UHFFFAOYSA-N;113.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126606;MM126606;CCCC=CCCO;SDZQUCJFTUULJX-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126607;MM126607;CCCC=CCCF;NTSKLTZXJCAYJM-UHFFFAOYSA-N;116.18;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126608;MM126608;NCCC=CCCF;JJKDJZRHHXUZMF-UHFFFAOYSA-N;117.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126609;MM126609;OCCC=CCCF;SIVMWKDHXJJSQK-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126610;MM126610;FCCC=CCCF;WLQYDQIMAURGTA-UHFFFAOYSA-N;120.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126611;MM126611;CCCC=CCNC;ACZVDLNGAPRJPR-UHFFFAOYSA-N;113.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126612;MM126612;CNCC=CCCF;YQWQBIOMYPQPLT-UHFFFAOYSA-N;117.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126613;MM126613;CCCC=CCOC;KCUBTOJYCKJIDC-UHFFFAOYSA-N;114.19;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126614;MM126614;COCC=CCCO;NWCPRNWUZBCAFQ-UHFFFAOYSA-N;116.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126615;MM126615;COCC=CCCF;NBJVLDLFAQQWFH-UHFFFAOYSA-N;118.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126616;MM126616;COCC=CCOC;RXNMLQHZBCJMBA-UHFFFAOYSA-N;116.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126617;MM126617;CCCC=COCC;CAZZAKUBLDUZNK-UHFFFAOYSA-N;114.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126618;MM126618;CCOC=CCCN;OMUGVUXRDBEMHM-UHFFFAOYSA-N;115.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126619;MM126619;CCOC=CCCO;OCBXQGMKZKKRBJ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126620;MM126620;CCOC=CCCF;MIKIEAPOZFFYPO-UHFFFAOYSA-N;118.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126621;MM126621;CCOC=CCNC;BNDOYTDVUDQJGA-UHFFFAOYSA-N;115.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126622;MM126622;CCOC=CCOC;ROBRMWCTUSNRDT-UHFFFAOYSA-N;116.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126623;MM126623;CCOC=COCC;HDUOBOAWDSZFTJ-UHFFFAOYSA-N;116.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126624;MM126624;CCCC=NOCC;XQEKDKWVNICAHP-UHFFFAOYSA-N;115.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126625;MM126625;CCON=CCCF;IIVSLAYSARBTPX-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126626;MM126626;C=CCC=CCCC;HYBLFDUGSBOMPI-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126627;MM126627;CCCC=CCC=O;ORAQCSKNITWHDW-UHFFFAOYSA-N;112.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126628;MM126628;C=CCC=CCCN;PVIUVTZQJGFNIE-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126629;MM126629;C=CCC=CCCO;JHKUFOOWUVOJDX-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126630;MM126630;N#CCC=CCCO;SVHKCMQXYQKEPE-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126631;MM126631;C=CCC=CCCF;JLKRUBJZABIEHP-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126632;MM126632;O=CCC=CCCF;JRKCBCJIRLBJNY-UHFFFAOYSA-N;116.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126633;MM126633;N#CCC=CCCF;BIBMFSAGZDFRLB-UHFFFAOYSA-N;113.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126634;MM126634;C=CCC=CCNC;UQUSXYJKSKORFC-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126635;MM126635;C=CCC=CCOC;YIVADEALDJUGRI-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126636;MM126636;COCC=CCC=O;VYCCXIKGGARPTG-UHFFFAOYSA-N;114.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126637;MM126637;COCC=CCC#N;DIOOXTCKSZLOMQ-UHFFFAOYSA-N;111.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126638;MM126638;CCCC=CNC=N;QCSIXABYJGULIX-UHFFFAOYSA-N;112.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126639;MM126639;CCCC=CNC=O;XCENFUOAFHIJGP-UHFFFAOYSA-N;113.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126640;MM126640;N=CNC=CCCN;IQFCQYXEESSTGB-UHFFFAOYSA-N;113.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126641;MM126641;NCCC=CNC=O;IDBWSMALSZCHSK-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126642;MM126642;N=CNC=CCCO;GRFWOAKPVJOBOL-UHFFFAOYSA-N;114.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126643;MM126643;O=CNC=CCCO;LGSCWEMFRFAZKE-UHFFFAOYSA-N;115.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126644;MM126644;CNCC=CNC=N;DRSISOOEIIGLQF-UHFFFAOYSA-N;113.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126645;MM126645;CNCC=CNC=O;QOJXDWXYSGRFFN-UHFFFAOYSA-N;114.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126646;MM126646;C=COC=CCCC;VSAUJEKDTUITEW-UHFFFAOYSA-N;112.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126647;MM126647;CCCC=COC=O;CWGQHDFGGPHQQA-UHFFFAOYSA-N;114.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126648;MM126648;C=COC=CCCN;PAJJBKNOVRPELL-UHFFFAOYSA-N;113.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126649;MM126649;C=COC=CCCO;LJFKLJNQGZKJMK-UHFFFAOYSA-N;114.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126650;MM126650;C=COC=CCCF;FSCSNDJVOLAHEU-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126651;MM126651;O=COC=CCCF;WNNCDLPKKOVIMN-UHFFFAOYSA-N;118.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126652;MM126652;C=COC=CCNC;QMAOOSRRXAQMDF-UHFFFAOYSA-N;113.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126653;MM126653;C=COC=CCOC;AJDFGZXZMDHZRQ-UHFFFAOYSA-N;114.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126654;MM126654;C=CCC=COCC;UQUHVUCNWTVOAJ-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126655;MM126655;CCOC=CCC=O;GFHDYJZMJLBHEU-UHFFFAOYSA-N;114.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126656;MM126656;CCOC=CCC#N;FUXLEYMBJMJNSS-UHFFFAOYSA-N;111.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126657;MM126657;CCOC=COC=O;AKLBNJKDQOQOTJ-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126658;MM126658;C=CC(=NO)N(CC)N=C;SNYZHAGRJPJLCS-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126659;MM126659;N=CNN=CCCN;UDZNFSGMUGXTRZ-UHFFFAOYSA-N;114.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126660;MM126660;NCCC=NNC=O;BXOXMVXUVLBOFQ-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126661;MM126661;O=CNN=CCCF;FDWGRFHXFOEVHD-UHFFFAOYSA-N;118.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126662;MM126662;CNCC=NNC=O;QIROZLABDDLURK-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126663;MM126663;CCCC=NOC=O;RHIDEGPNBNVFFM-UHFFFAOYSA-N;115.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126664;MM126664;NCCC=NOC=O;HXKVVSFLPYADIB-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126665;MM126665;CC=C(CO)C(=NO)NN;VUSRRYIRWKWRBG-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126666;MM126666;COCC=NOC=O;MSOTXMUHQCZGDH-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126667;MM126667;CCOC=NNC=O;AEGKZVXUWSTSLO-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126668;MM126668;C=CNC=NCCC;UEOBPEQMVXBZLT-UHFFFAOYSA-N;112.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126669;MM126669;C=CNC=NCCN;KJYQIYOUWLXOIK-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126670;MM126670;C=CNC=NCCO;YTZZBDWQTNYWFL-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126671;MM126671;C=CNC=NCCF;NTODBNJXXIWEFX-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126672;MM126672;C=CCC=NOCC;BOYBFMHHKVJTNE-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126673;MM126673;C#CC(=NO)NCCC=O;JNAIXGLATNNTFE-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126674;MM126674;C#CCC=CCCN;WDCASGIAWCMVEL-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126675;MM126675;C#CCC=CCCO;YRKOASCPGLNZDF-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126676;MM126676;C#CCC=CCCF;BIXVKXFJAFGKDW-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126677;MM126677;C#CCC=CCNC;RXIDJURYRGPOTH-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126678;MM126678;C#CCC=CCOC;ZTIQLDFHGHHOAE-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126679;MM126679;C#CCC=COCC;NIMKANKHZBJSKJ-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126680;MM126680;C=CCC=CCC=C;BUAQSUJYSBQTHA-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126681;MM126681;C=CCC=CCC#N;WBSMPAAFNGXUDE-UHFFFAOYSA-N;107.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126682;MM126682;O=CCC=CCC=O;ZDJQEPWXARFGAE-UHFFFAOYSA-N;112.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126683;MM126683;C=CCC=CNC=N;KVMKRYHATXEQTQ-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126684;MM126684;C=CCC=CNC=O;RVZXMBWYBZEKFJ-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126685;MM126685;C=CCC=COC=C;RKJJVGVWWYMPLY-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126686;MM126686;C=CCC=COC=O;PPQZWQFJHYLJNA-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126687;MM126687;C=COC=CCC=O;FLZNGEOMPLAHIW-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126688;MM126688;C=COC=CCC#N;GGEZMXQLBALLTB-UHFFFAOYSA-N;109.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126689;MM126689;N#CCC=COC=O;ATETTXKEWNZRQZ-UHFFFAOYSA-N;111.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126690;MM126690;N=CNC=CNC=O;PASYFNNKFIISTR-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126691;MM126691;O=CNC=CNC=O;GNHIRNWLLSXGOS-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126692;MM126692;N=CNC=COC=O;YPJDJSPWCTWOKD-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126693;MM126693;C=COC=COC=O;AUFINOQSTXJPKR-UHFFFAOYSA-N;114.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126694;MM126694;C=CCC=NNC=O;UWKORVXPOUVBCU-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126695;MM126695;C=CCC=NOC=O;HMLLYLNFRZFPKG-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126696;MM126696;CCN(CC)C(=O)NC=N;PEIQAMUTNQCCQF-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126697;MM126697;C=CCN=CNC=C;SKRHBTINLIAADH-UHFFFAOYSA-N;110.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126698;MM126698;C=CN=CNCC=O;BRNBGKIASJLYSQ-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126699;MM126699;C=CN=CNNC=N;ACQTUWTZZSWILQ-UHFFFAOYSA-N;112.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126700;MM126700;C=CN=CNNC=O;AKTDBTHCBJTFHG-UHFFFAOYSA-N;113.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126701;MM126701;C#CCC=CCC=C;SDJCJNGCFRXDQR-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126702;MM126702;C#CCC=CCC=O;GWNCVYCQHVXPLG-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126703;MM126703;C#CCC=CCC#N;JQIBWAQDBLZXSC-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126704;MM126704;C#CCC=COC=O;OOORWEALGLCXBU-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126705;MM126705;C#CCC=NOC=O;FWJRJAJOHHGDOZ-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126706;MM126706;C#CCC=CCC#C;RMGAOIVEDWMDFK-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126707;MM126707;CC=CC=CCCC;NZLCAHVLJPDRBL-UHFFFAOYSA-N;110.2;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126708;MM126708;CCCC=CC=CF;CWNNULGVYXSYTP-UHFFFAOYSA-N;114.16;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126709;MM126709;CC=CC=CCCN;ZGHQJIRAALOTRO-UHFFFAOYSA-N;111.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126710;MM126710;NCCC=CC=CF;ZDLQQOLBAQKHBM-UHFFFAOYSA-N;115.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126711;MM126711;CNNC(=O)C(CO)=NN;LHRCVSUDUPKMIZ-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126712;MM126712;C=C(C)C1=CC(=NO)CC1;PEWNWASAZZFJTB-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126713;MM126713;CC=CC=CCCF;MVLFBEXKPFVAST-UHFFFAOYSA-N;114.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126714;MM126714;FC=CC=CCCF;MZXSFEURQXCVJF-UHFFFAOYSA-N;118.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126715;MM126715;CCCC=CC=NN;LMUOODPJZHCSQH-UHFFFAOYSA-N;112.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126716;MM126716;C#CCC1=CCC(=NO)N1;HPKQEOLTBRIXIY-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126717;MM126717;NN=CC=CCCF;SVYNUGFDXPSMJW-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126718;MM126718;ON=CC=CCCF;UVFQVSFBVAKIMQ-UHFFFAOYSA-N;117.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126719;MM126719;CC=CC=CCNC;SSCWWAMJOUJPQU-UHFFFAOYSA-N;111.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126720;MM126720;CC=CC=CCOC;BEBPZRNATTZJGY-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126721;MM126721;COCC=CC=CF;YPESGXNWCJCPLV-UHFFFAOYSA-N;116.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126722;MM126722;CCN=CC=CNO;LOOILKJIYVRJIW-UHFFFAOYSA-N;114.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126723;MM126723;CC=CC=COCC;DNRUZYJGLHCNPH-UHFFFAOYSA-N;112.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126724;MM126724;CCOC=CC=CF;ZCRMEPASWGGRFJ-UHFFFAOYSA-N;116.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126725;MM126725;CCOC=CC=NN;XKJOHZGVLHDTTE-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126726;MM126726;CCOC=CC=NO;RWUICPDJDZSCRE-UHFFFAOYSA-N;115.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126727;MM126727;CC=NN=CCCC;AQGMIMBGSIDEKG-UHFFFAOYSA-N;112.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126728;MM126728;CC=NN=CCCN;RVZPJMRJACYLKY-UHFFFAOYSA-N;113.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126729;MM126729;CC=NN=CCCO;FVBDNFHHMUGKQH-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126730;MM126730;CC=NN=CCCF;WISPOFJUWIMBMW-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126731;MM126731;CC=NN=CCOC;NFFQSXFINJXGGR-UHFFFAOYSA-N;114.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126732;MM126732;CC=CC=NOCC;VRCYCTRADWMYJJ-UHFFFAOYSA-N;113.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126733;MM126733;CCON=CC=CF;QZAFPPJKDXKYHU-UHFFFAOYSA-N;117.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126734;MM126734;C=CCC=CC=CF;JQFDGLXDQJACQC-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126735;MM126735;CC=CC=CCC=O;LRMRNURCSDFQJJ-UHFFFAOYSA-N;110.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126736;MM126736;O=CCC=CC=CF;KJTUHCRMENNJDL-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126737;MM126737;N#CCC=CC=CF;YJVOUJKLSIXHAW-UHFFFAOYSA-N;111.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126738;MM126738;C=CCC=CC=NN;VEZYGGBXKJIJBU-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126739;MM126739;CC=CC1=CC(=NO)CN1;SVBREBHVGNFBGS-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126740;MM126740;O=CCC=CC=NO;UKUKINHIJGKJTG-UHFFFAOYSA-N;113.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126741;MM126741;CC=CC=CNC=N;HMEVBUMIJRXWCM-UHFFFAOYSA-N;110.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126742;MM126742;N=CNC=CC=CF;AFBYBQDOTHABLX-UHFFFAOYSA-N;114.12;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126743;MM126743;CC=CC=CNC=O;ZCTJDBNHXSKGHS-UHFFFAOYSA-N;111.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126744;MM126744;O=CNC=CC=CF;KXQBYKJBLMSZTR-UHFFFAOYSA-N;115.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126745;MM126745;N=CNC=CC=NN;YGBFKBUJVQNSLV-UHFFFAOYSA-N;112.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126746;MM126746;N=CNC=CC=NO;XHKVDQNGSXCZED-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126747;MM126747;C#CCC(=N)NC=O;VNJKVAKLXHSHBZ-UHFFFAOYSA-N;110.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126748;MM126748;O=CNC=CC=NO;LKNPJIXKKSFBIK-UHFFFAOYSA-N;114.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126749;MM126749;C=COC=CC=CC;AXCIUEWTPOBPKN-UHFFFAOYSA-N;110.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126750;MM126750;C=COC=CC=CF;ASHURQGTENWETK-UHFFFAOYSA-N;114.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126751;MM126751;CC=CC=COC=O;MELABPHVCFCKBM-UHFFFAOYSA-N;112.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126752;MM126752;O=COC=CC=CF;LGJUNXSGSCXRCU-UHFFFAOYSA-N;116.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126753;MM126753;C=COC=CC=NN;DTPBTIDADLVUEO-UHFFFAOYSA-N;112.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126754;MM126754;C=COC=CC=NO;NDTWFFUKPTXCIV-UHFFFAOYSA-N;113.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126755;MM126755;O=COC=CC=NO;WFYODQAZOPTLOO-UHFFFAOYSA-N;115.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126756;MM126756;C=CCC=NN=CC;JSTACWFUGSQSRX-UHFFFAOYSA-N;110.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126757;MM126757;CC=NN=CCC=O;LQJQANHBQJPMJJ-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126758;MM126758;CCc1n[nH]c(N)n1;ZVWFWIXWMIMWEU-UHFFFAOYSA-N;112.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126759;MM126759;C=COC=NN=CC;RZPXKYXJUNNCNI-UHFFFAOYSA-N;112.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126760;MM126760;CC=NN=COC=O;GBMSHYMSMCHLPZ-UHFFFAOYSA-N;114.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126761;MM126761;C=NOC=NN=CC;LQXCBBBDOMLHGL-UHFFFAOYSA-N;113.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126762;MM126762;CCC1(C)CC(=O)NN1;PCWLTOQJCXVIMG-UHFFFAOYSA-N;128.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126763;MM126763;O=CNN=CC=CF;ZKBWZBHZSDSCLP-UHFFFAOYSA-N;116.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126764;MM126764;C#CC(=O)NNCCC;JMERVGKHTWZLGD-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126765;MM126765;O=CNN=CC=NO;ACAWFVYPXKBHSQ-UHFFFAOYSA-N;115.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126766;MM126766;CC=CC=NOC=O;MOAZAIZJUXJUPS-UHFFFAOYSA-N;113.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126767;MM126767;NC=CC=NOC=O;PHAOTAUKEWBJLE-UHFFFAOYSA-N;114.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126768;MM126768;O=CON=CC=CF;RATFVGXWOWJGEE-UHFFFAOYSA-N;117.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126769;MM126769;C=CC(=O)NC=NC=N;ATYURDRZZHQVJY-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126770;MM126770;C#CCC=CC=CC;ZGHLUIXAFPPGMC-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126771;MM126771;C#CCC=CC=CF;TXLFHRCHVDAFIZ-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126772;MM126772;C#CCC=CC=NN;OFCBWDFRFQGSRW-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126773;MM126773;C#CCC=CC=NO;CNLBYBLBFYBUJV-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126774;MM126774;CC#CC=CCCN;JXHPSIMFZYLNJE-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126775;MM126775;CC#CC=CCCO;MQAPLTGZKZJELT-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126776;MM126776;CC#CC=CCCF;QYXIASXWRVWXKK-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126777;MM126777;CC#CC=CCNC;MFIVNEFSPKTNGM-UHFFFAOYSA-N;109.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126778;MM126778;CC#CC=CCOC;JOLNZSZPJTZGKE-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126779;MM126779;CC#CC=COCC;XGQLRCGALNKBIK-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126780;MM126780;CC#CC=NNCC;UISFAFRCLFNTCD-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126781;MM126781;CC#CC=NOCC;MDFKKPLPCUWBBV-UHFFFAOYSA-N;111.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126782;MM126782;C=CCC=CC#CC;VDBRYBVQUKFTDC-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126783;MM126783;CC#CC=CCC=O;GWYJRKASURPUME-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126784;MM126784;CC#CC=CCC#N;KAMLAGBAIKADQJ-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126785;MM126785;C=COC=CC#CC;RJLGPHNHSDFHNT-UHFFFAOYSA-N;108.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126786;MM126786;CC#CC=COC=O;JUPGTYZLEJBQLF-UHFFFAOYSA-N;110.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126787;MM126787;CC#CC=NOC=O;HLAMZENXYZBBEG-UHFFFAOYSA-N;111.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126788;MM126788;C#CCC=CC#CC;MSOHHDUZFDWPCV-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126789;MM126789;CC=CC=CC=CC;CGMDPTNRMYIZTM-UHFFFAOYSA-N;108.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126790;MM126790;CC=CC=CC=CF;DYFBKVHVIYWMJI-UHFFFAOYSA-N;112.15;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126791;MM126791;FC=CC=CC=CF;UAMVXXLTNILEAX-UHFFFAOYSA-N;116.11;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126792;MM126792;CC=CC=CC=NN;CKUVHDKSDKGFKS-UHFFFAOYSA-N;110.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126793;MM126793;NN=CC=CC=CF;KDFFULJFWZRNOC-UHFFFAOYSA-N;114.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126794;MM126794;ON=CC=CC=CF;QRFMPDLMNPELGV-UHFFFAOYSA-N;115.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126795;MM126795;CC=NN=CC=CN;ZILNJWWPPTZEBW-UHFFFAOYSA-N;111.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126796;MM126796;CC=NN=CC=CF;NOTLDTSTOBSUPQ-UHFFFAOYSA-N;114.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126797;MM126797;CCN(C)C(=O)NC=N;XHVZMFMDAFHCHI-UHFFFAOYSA-N;129.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126798;MM126798;CC=NN=CC=NO;BGVRJLUSUUQVCM-UHFFFAOYSA-N;113.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126799;MM126799;CC#CC=CC=CC;GQVRHRDGDMATSG-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126800;MM126800;CC#CC=CC=CF;ZYBXMFGMKOTWJY-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126801;MM126801;CC#CC=CC=NN;CKSZTODEPGAGNG-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126802;MM126802;CC#CC=CC=NO;HQCKYBGZDGIYDL-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126803;MM126803;CC#CC=NN=CC;FTOUPQFUQBNRDI-UHFFFAOYSA-N;108.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126804;MM126804;CC#CC=CC#CC;WITLIZHXWZDWSQ-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126805;MM126805;CCCC#CCCN;LCXVZEGLFSKWNA-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126806;MM126806;CCCC#CCCO;PSWHODJVUOXHKA-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126807;MM126807;CCCC#CCCF;NMKOKHOEXFBEBD-UHFFFAOYSA-N;114.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126808;MM126808;NCCC#CCCF;NSFQFVZWYRGNBD-UHFFFAOYSA-N;115.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126809;MM126809;FCCC#CCCF;WBMBTZXZXMSDJG-UHFFFAOYSA-N;118.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126810;MM126810;CCCC#CCNC;IRDTWRAKRLINAJ-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126811;MM126811;CNCC#CCCF;JBGIDJRNBNGPNH-UHFFFAOYSA-N;115.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126812;MM126812;CCCC#CCOC;ZWEGEEXPHXUUFO-UHFFFAOYSA-N;112.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126813;MM126813;COCC#CCCF;QZJDLTJFACISJC-UHFFFAOYSA-N;116.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126814;MM126814;COCC#CCOC;YFUQYYGBJJCAPR-UHFFFAOYSA-N;114.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126815;MM126815;CCCC#CCC=O;JFUMOWMYMUYMDN-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126816;MM126816;C=CCC#CCCN;STDKDRXNTPQNJR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126817;MM126817;C=CCC#CCCO;VULLDQGGFJMZTD-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126818;MM126818;C=CCC#CCCF;GYULLEGAVRZZGQ-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126819;MM126819;O=CCC#CCCF;GSVIIQNKCXXJOR-UHFFFAOYSA-N;114.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126820;MM126820;COCC#CCC=O;DTKSWBVHBFJTFC-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126821;MM126821;COCC#CCC#N;ZZBSIHDUQJOSSV-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126822;MM126822;C#CCC#CCCF;NRKKJVCZOBLHLR-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126823;MM126823;C=CCC#CCC=O;VLUDBNPHCXZXJU-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126824;MM126824;O=CCC#CCC=O;GOVXTIVPLQPTEC-UHFFFAOYSA-N;110.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126825;MM126825;CCCC#CC=CF;YCUOJULQCWHLMC-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126826;MM126826;CC=CC#CCCN;FSTCHEBBDYWLND-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126827;MM126827;NCCC#CC=CF;OXBGZPLLFYXARX-UHFFFAOYSA-N;113.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126828;MM126828;CC=CC#CCCO;LCORZGDNSGLGTG-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126829;MM126829;OCCC#CC=CF;KRMQSNHKMRJGFL-UHFFFAOYSA-N;114.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126830;MM126830;CC=CC#CCCF;GIPLFYUOLTYQRL-UHFFFAOYSA-N;112.15;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126831;MM126831;FC=CC#CCCF;NJLDIUUDZUXFMD-UHFFFAOYSA-N;116.11;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126832;MM126832;CCCC#CC=NN;SIXOFDSMYVSMDO-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126833;MM126833;CCCC#CC=NO;ZWBFGADADFMTAI-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126834;MM126834;CNN(C)C(=O)NC=O;ZIIXZXCZXRTGDP-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126835;MM126835;CNCC#CC=CF;LGKNTDHEGJLCRF-UHFFFAOYSA-N;113.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126836;MM126836;CNCC#CC=NO;RNVXDAMKXBFAMY-UHFFFAOYSA-N;112.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126837;MM126837;CC=CC#CCOC;IRERKXMABMJNBT-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126838;MM126838;COCC#CC=CF;YBPOIDZUGGSOMV-UHFFFAOYSA-N;114.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126839;MM126839;COCC#CC=NN;JPGLGVFXVQLFHK-UHFFFAOYSA-N;112.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126840;MM126840;COCC#CC=NO;UJNJGEUDEUPZMZ-UHFFFAOYSA-N;113.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126841;MM126841;C=CCC#CC=CF;DRWPMVHIYWUIGM-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126842;MM126842;CC=CC#CCC=O;LZEZCEMJZWQKFF-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126843;MM126843;O=CCC#CC=CF;QNQIIEMUNOJCOD-UHFFFAOYSA-N;112.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126844;MM126844;N#CCC#CC=CF;GFSNWEABCIBIQU-UHFFFAOYSA-N;109.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126845;MM126845;C=CCC#CC=NN;VTVDJEZUJHYYJO-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126846;MM126846;C=CCC#CC=NO;DHBPSPFFZQFJNH-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126847;MM126847;C#CCC#CC=CF;VURMXBDYWJOFIQ-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126848;MM126848;CC#CC#CCCF;PFGQBTUKLUYIGN-UHFFFAOYSA-N;110.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126849;MM126849;CC=CC#CC=CF;VCVPGDJHVRLDSP-UHFFFAOYSA-N;110.13;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126850;MM126850;FC=CC#CC=CF;JWMGHXWXYHRBID-UHFFFAOYSA-N;114.09;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126851;MM126851;CC=CC#CC=NN;AXBCQZMUBUUSPH-UHFFFAOYSA-N;108.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126852;MM126852;CC=CC#CC=NO;GQGZAFMRVHEMST-UHFFFAOYSA-N;109.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126853;MM126853;NN=CC#CC=CF;GSSDCMFHQBLTMR-UHFFFAOYSA-N;112.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126854;MM126854;ON=CC#CC=CF;PUPVQIIBOPHHDF-UHFFFAOYSA-N;113.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126855;MM126855;CC#CC#CC=CF;YJHJDXMZQNKKKU-UHFFFAOYSA-N;108.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126856;MM126856;CCC1CNC1CC;YICRKUOWHAOJSL-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126857;MM126857;CCC1CNC1CN;CDXANRDEQOJDLW-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126858;MM126858;CCC1COC1CC;QVRLIDQXQKDCTJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126859;MM126859;C=CC1CCC1CC;RHACWXJVYKFSJE-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126860;MM126860;CCC1CCC1C#N;SCBBILOJNFSILT-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126861;MM126861;C=CC1CCC1CN;XNVBYICQGBNGPL-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126862;MM126862;CC=CC(=NO)C(C)C;KZZTYCOKEGZVOE-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126863;MM126863;N#CC1CCC1CO;URKDOYJBSPWFNW-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126864;MM126864;C=CC1CCC1NC;MTDYGXRNWSZLDN-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126865;MM126865;C=CC1NCC1CC;QWSASVYFGKRAOH-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126866;MM126866;CCC1CNC1C#N;DIYXZSOKJVXMHN-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126867;MM126867;CCC1COC1C#N;GYBJJAOFXLPISN-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126868;MM126868;C=CC1OCC1CN;KMKHOASOOAXJGO-UHFFFAOYSA-N;113.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126869;MM126869;C=CC1CNC1CC;KQNMZNMWYHSHKK-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126870;MM126870;CCC1NCC1C=O;MAGIRQYABQONCY-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126871;MM126871;CCC1OCC1C#N;BCRCMNBUNXHCIU-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126872;MM126872;C#CC1CCC1CC;XBURZLYYYPYPFM-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126873;MM126873;C#CC1CCC1CN;MSIPUFZEANLLQO-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126874;MM126874;C#CC1CCC1NC;MAQBGHVUXYKUEC-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126875;MM126875;C#CC1NCC1CC;FJEJMMSIPZIJNQ-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126876;MM126876;C#CC1NCC1CN;QAQLRLCXYBASHI-UHFFFAOYSA-N;110.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126877;MM126877;C#CC1CNC1CC;WUKYCOZNXKVZRJ-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126878;MM126878;C#CC1CNC1CN;VLKDCIMAEDXYCB-UHFFFAOYSA-N;110.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126879;MM126879;C#CC1CNC1CO;BXQXXPJHOLPZAU-UHFFFAOYSA-N;111.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126880;MM126880;C#CC1CCN1CC;GQKKSLMATUPQBP-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126881;MM126881;C=CC1CCC1C=C;UHHCYAAVGADGGP-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126882;MM126882;C=CC1CCC1C=O;ARGRNBBIDJUUJY-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126883;MM126883;C=CC1CCC1C#N;CTPGXCTXQYJUON-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126884;MM126884;C=CC1CNC1C=C;ICHHRKPYRMVXIO-UHFFFAOYSA-N;109.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126885;MM126885;C=CC1CNC1C=O;KSNAXFZDMHRTEF-UHFFFAOYSA-N;111.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126886;MM126886;C=CC1NCC1C=O;JACWWNXCKYZSKO-UHFFFAOYSA-N;111.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126887;MM126887;CCC1NNC(=O)C1C;CHJRSYXWZKHGHB-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126888;MM126888;N#CC1CNC1C#N;NMKMGYXOAOPDRC-UHFFFAOYSA-N;107.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126889;MM126889;C=CC1COC1C#N;KYAWSKPODIAFDR-UHFFFAOYSA-N;109.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126890;MM126890;C=CC1CCN1C=N;YMYMXJXQVRPOTL-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126891;MM126891;N#CC1CCN1C=N;LPBBSGDBUNGPJO-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126892;MM126892;C#CC1CCC1C=C;OUXNMTDZUDYCEP-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126893;MM126893;C#CC1NCC1C=O;YSCIKJFQBHAKCT-UHFFFAOYSA-N;109.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126894;MM126894;C#CC1NCC1C#N;OUHPIOANNDXWJP-UHFFFAOYSA-N;106.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126895;MM126895;C#CC1OCC1C#N;XLZOVYOUFNDLNG-UHFFFAOYSA-N;107.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126896;MM126896;C#CC1CNC1C=C;AJCPJFGLHYYESU-UHFFFAOYSA-N;107.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126897;MM126897;C=CC1CCC(=NO)N1;LFFHBEGCGRURKU-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126898;MM126898;C#CC1COC1C#N;FJQGCJUGPXLLPG-UHFFFAOYSA-N;107.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126899;MM126899;C#CC1CCN1C=N;GKMYCGORINBGHG-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126900;MM126900;C#CC1CCC1C#C;IUCJBQSKIYAXIK-UHFFFAOYSA-N;104.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126901;MM126901;C#CC1CNC1C#C;WNBAGOSNVWYIDW-UHFFFAOYSA-N;105.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126902;MM126902;C=CC(CF)C1CC1;ZBTAKIJCENEDNK-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126903;MM126903;COC(C#N)C1CN1;YFZXDECOVROLMQ-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126904;MM126904;COC(C#N)C1CO1;NJVDHRRVTUMBHU-UHFFFAOYSA-N;113.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126905;MM126905;C#CC(CC)C1CC1;IFIJQLKKKBHHNA-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126906;MM126906;C#CC(CN)C1CC1;TXPRLUUVUMMPOO-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126907;MM126907;CC(CCC(C)(C)C)=NO;TVGHASBRCUTYIC-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126908;MM126908;C#CC(NC)C1CC1;JLJJYFCJKBWXIM-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126909;MM126909;C#CC(CN)C1CN1;YXRDRNYQAQKUHI-UHFFFAOYSA-N;110.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126910;MM126910;C#CC(CN)N1CC1;MDTJGBVGSULQHA-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126911;MM126911;C=CC(C#N)C1CC1;CNOUHOLISNUABH-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126912;MM126912;N#CC(C#N)C1CC1;NUQYRGLVQHPHGP-UHFFFAOYSA-N;106.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126913;MM126913;C=CN(C=O)C1CC1;KNBSIIPLUSGEQF-UHFFFAOYSA-N;111.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126914;MM126914;N#CC(C#N)C1CN1;IKGJZZGSYZDXKC-UHFFFAOYSA-N;107.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126915;MM126915;C=CC(C#N)C1CO1;KOHVPYUSDVUTPF-UHFFFAOYSA-N;109.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126916;MM126916;N#CC(C#N)C1CO1;PWKROZSBVGBYCM-UHFFFAOYSA-N;108.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126917;MM126917;C=CC(C#N)N1CC1;AUKVBPOSMDCISP-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126918;MM126918;N#CC(C#N)N1CC1;DDDJTESFDHTUNQ-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126919;MM126919;C=CN(C=O)N1CC1;GYWUTXDAPOTNME-UHFFFAOYSA-N;112.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126920;MM126920;C#CC(C=C)C1CC1;VNKBIETWJBYVIM-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126921;MM126921;C#CC(C=O)C1CC1;UGKPTTVDIXYVQX-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126922;MM126922;C#CC(C#N)C1CC1;LFISAWLKZZITBW-UHFFFAOYSA-N;105.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126923;MM126923;C=C(C)C=CC(=N)NC=O;AEZRDKBZLYBECP-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126924;MM126924;C#CC(C=C)C1CO1;QAWIPWAYZRAXEW-UHFFFAOYSA-N;108.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126925;MM126925;C#CC(C#N)C1CO1;QLRWLVNUECSMFE-UHFFFAOYSA-N;107.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126926;MM126926;C#CC(C=C)N1CC1;AOSBIRYLWQRYBI-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126927;MM126927;CNC(=O)CC(=O)NC=N;FDZXAXHLKGCAHO-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126928;MM126928;C#CC(C#C)C1CC1;WVXVCABWBJPLOP-UHFFFAOYSA-N;104.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126929;MM126929;C#CC(C#C)C1CO1;OJMSZFUSHOZXBO-UHFFFAOYSA-N;106.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126930;MM126930;C#CC(C#C)N1CC1;OXUAGXWOKNENKO-UHFFFAOYSA-N;105.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126931;MM126931;CC=C(CC)C1CC1;QUUBRSJBHGQFRQ-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126932;MM126932;CC(=CC(=N)NC=O)CO;YOKIQQQQCROJDN-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126933;MM126933;C=CC(=CC)C1CC1;CLUCUYCSYDKHOX-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126934;MM126934;C=CC(=CF)C1CC1;VBEKLHZZPRPBEG-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126935;MM126935;CC=C(C#N)C1CC1;JNXXSZMHPDNMNG-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126936;MM126936;N#CC(=CN)C1CC1;NEFBOSIRPANUQD-UHFFFAOYSA-N;108.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126937;MM126937;C=CC(=NN)C1CC1;JKXFVBJZORLWLM-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126938;MM126938;C=CC(=NO)C1CC1;HVRGQNUAYOZIFH-UHFFFAOYSA-N;111.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126939;MM126939;CC=C(C#N)C1CN1;ZAECOTNZCOUBTL-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126940;MM126940;N#CC(=CN)C1CN1;HVTVZWSFUPJWHM-UHFFFAOYSA-N;109.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126941;MM126941;N#CC(=CF)C1CN1;QPQSKSSQJGEDOG-UHFFFAOYSA-N;112.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126942;MM126942;C=CC(=NN)C1CN1;UUENLSKGHCGTFO-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126943;MM126943;C=C(OC)C(F)C=NO;VYRQHQIAFUOSDU-UHFFFAOYSA-N;133.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126944;MM126944;C=CC(=CC)C1CO1;MOWQNKABHLQXSE-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126945;MM126945;C=CC(=CF)C1CO1;ZOCABUKTLBASHH-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126946;MM126946;CC=C(C#N)C1CO1;XSXBUQAIZGAXMO-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126947;MM126947;O=CC(=CF)C1CO1;SFZMTOAOSUBGPB-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126948;MM126948;C=CC(=NN)C1CO1;LPHBMCCGSOISHY-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126949;MM126949;C=CC(=NN)N1CC1;CBWCYMQANUEHKC-UHFFFAOYSA-N;111.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126950;MM126950;CN=C(C#N)N1CC1;JKCLIFQNCIMUOR-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126951;MM126951;C#CC(=CC)C1CC1;SASAWOQITWATRB-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126952;MM126952;C#CC(=CF)C1CC1;GSNMNTBYNNYYNT-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126953;MM126953;C#CC(=NN)C1CC1;WVLJCMIRRYWRMA-UHFFFAOYSA-N;108.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126954;MM126954;C#CC(=NO)C1CC1;XXFQITVPPWNHRV-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126955;MM126955;C#CC(=CC)C1CN1;NERLINCYSLKIRA-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126956;MM126956;C#CC(=CF)C1CN1;ZIYINLJNQXCKSS-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126957;MM126957;C#CC(=NN)C1CN1;RHKUOOHRXYMUIQ-UHFFFAOYSA-N;109.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126958;MM126958;C#CC(=NO)C1CN1;OVHLELJZZBTPPH-UHFFFAOYSA-N;110.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126959;MM126959;C#CC(=CC)C1CO1;BEIAUPSUFPGUEZ-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126960;MM126960;C#CC(=NN)C1CO1;IFNQEFYLZPXYLS-UHFFFAOYSA-N;110.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126961;MM126961;C#CC(=NC)N1CC1;ZLAFCIMFAHAOMR-UHFFFAOYSA-N;108.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126962;MM126962;C#CC(=NO)N1CC1;UMDWATCUMLEOJZ-UHFFFAOYSA-N;110.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126963;MM126963;CCCCCC1CC1;SUBUEDOPXXGMKP-UHFFFAOYSA-N;112.22;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126964;MM126964;NCCCCC1CC1;JBVMHCMMNNUPMK-UHFFFAOYSA-N;113.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126965;MM126965;C=CC(C)=CC(=N)NC=O;IEXIYZDHATZAEP-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126966;MM126966;FCCCCC1CC1;JCKPRWFXXXOOJM-UHFFFAOYSA-N;116.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126967;MM126967;CNCCCC1CC1;YFAFLQKWXGLPJA-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126968;MM126968;COCCCC1CC1;DYOCMJFACPJZSK-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126969;MM126969;CCNCCC1CC1;ZRUBNAJYJSKVGO-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126970;MM126970;CCOCCC1CC1;KYUJRBLRBVIJAZ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126971;MM126971;CCCNCC1CC1;MAVLRJDQJZJTQP-UHFFFAOYSA-N;113.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126972;MM126972;NCCNCC1CC1;LJGMFMZLKFEDGU-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126973;MM126973;OCCNCC1CC1;HJIGAAUGGJHBMI-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126974;MM126974;FCCNCC1CC1;SMJNQOMUSOJJRA-UHFFFAOYSA-N;117.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126975;MM126975;CCCOCC1CC1;GTTROTAKRHFZAH-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126976;MM126976;NCCOCC1CC1;KPBXIYKZOFFPJF-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126977;MM126977;OCCOCC1CC1;CRYSXEGANJJZKJ-UHFFFAOYSA-N;116.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126978;MM126978;FCCOCC1CC1;JBNKXFUEMNSXLX-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126979;MM126979;COCOCC1CC1;WMPWBUQKXIHBJC-UHFFFAOYSA-N;116.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126980;MM126980;CCCCNC1CC1;JCGRNPRBHMFNHS-UHFFFAOYSA-N;113.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126981;MM126981;NCCCNC1CC1;MYPKLHRVWALHHI-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126982;MM126982;OCCCNC1CC1;CMNRBVDFOGJTTD-UHFFFAOYSA-N;115.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126983;MM126983;FCCCNC1CC1;BTHLFROSCWHCOP-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126984;MM126984;CNCCNC1CC1;XJRPIZCHFSKXPJ-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126985;MM126985;COCCNC1CC1;FLGBPLJSLMGJAR-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126986;MM126986;CCCCOC1CC1;PGNSFKBGZSXHOJ-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126987;MM126987;NCCCOC1CC1;YJELALRPZMXMFK-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126988;MM126988;OCCCOC1CC1;UCBICUVEDRHXHY-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126989;MM126989;FCCCOC1CC1;QNVPFXDAIUAQHG-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126990;MM126990;CCOCOC1CC1;MFZKHNFNQQAWHM-UHFFFAOYSA-N;116.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126991;MM126991;NCCCCC1CN1;XPYWBXMMHJIXBG-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126992;MM126992;CNCCCC1CN1;ZSUCDZZBVPHMFT-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126993;MM126993;CCNCCC1CN1;AYHTYXVMIHATOG-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126994;MM126994;CCCNCC1CN1;XDXBGGTVDLOSQG-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126995;MM126995;NCCNCC1CN1;PORABTNMPVCFOV-UHFFFAOYSA-N;115.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126996;MM126996;OCCNCC1CN1;UYJLNTJYDUWBRQ-UHFFFAOYSA-N;116.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126997;MM126997;NCCOCC1CN1;NYSFBRKFQBTVKH-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126998;MM126998;CCCCCC1CO1;NMOFYYYCFRVWBK-UHFFFAOYSA-N;114.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM126999;MM126999;NCCCCC1CO1;PNIAODJKHWFZBO-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127000;MM127000;CCCC(N)=CC(C)=NO;XSPVPWFYVBHABR-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127001;MM127001;FCCCCC1CO1;DOVUOQLZDNQWAF-UHFFFAOYSA-N;118.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127002;MM127002;CNCCCC1CO1;GAVMFBDFTBTKBH-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127003;MM127003;COCCCC1CO1;LYARLMFWCLIJCH-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127004;MM127004;CCNCCC1CO1;WFBLRHFUJJSZIC-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127005;MM127005;CCOCCC1CO1;QXHDNKAJUJZWGJ-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127006;MM127006;CCCNCC1CO1;FMNSHUPVUMOKLA-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127007;MM127007;NCCNCC1CO1;WZAUCLWNRMLYOO-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127008;MM127008;OCCNCC1CO1;SNYJTGSIILHBGV-UHFFFAOYSA-N;117.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127009;MM127009;CCCOCC1CO1;CWNOEVURTVLUNV-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127010;MM127010;NCCOCC1CO1;MJBZCUSGDDUCCF-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127011;MM127011;OCCOCC1CO1;CUGZWHZWSVUSBE-UHFFFAOYSA-N;118.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127012;MM127012;FCCOCC1CO1;QZFKARGOHMIZOH-UHFFFAOYSA-N;120.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127013;MM127013;COCOCC1CO1;FTNHOTXFIROMBI-UHFFFAOYSA-N;118.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127014;MM127014;NCCCCN1CC1;SEXPPLODIFVQBF-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127015;MM127015;CNCCCN1CC1;WNHPQMTUKGUCTI-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127016;MM127016;CCNCCN1CC1;CFRBUUFKAUQUEQ-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127017;MM127017;CCOCCN1CC1;ZESWABYAKZEPQB-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127018;MM127018;C=CCCCC1CC1;LZJIXEXUTQTLPF-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127019;MM127019;O=CCCCC1CC1;SVABGPAHHLRXFI-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127020;MM127020;N#CCCCC1CC1;NLKBNCARDYGQBL-UHFFFAOYSA-N;109.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127021;MM127021;N=CNCCC1CC1;RAGXHLSNAPMPMQ-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127022;MM127022;CCC#CCC(=N)NC=O;YMKGGPLZNSNZOJ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127023;MM127023;C=NNCCC1CC1;AOQVKVNCSLUTCX-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127024;MM127024;C=COCCC1CC1;PFINMADKZNXJMN-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127025;MM127025;O=COCCC1CC1;JBMUSFAXHJYJNE-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127026;MM127026;C=NOCCC1CC1;IJHWUVRCQOINNA-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127027;MM127027;C=CCNCC1CC1;HCKGOMVEFZLDBU-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127028;MM127028;O=CCNCC1CC1;ZYAJEJBPFQFKGL-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127029;MM127029;N#CCNCC1CC1;MYJHHDPTZUXWCO-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127030;MM127030;N=CNNCC1CC1;FCMWTIAXQBOEBS-UHFFFAOYSA-N;113.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127031;MM127031;CC=CC=CC(=N)NC=O;VJVXBCLKKBYQHP-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127032;MM127032;C=CCOCC1CC1;DULBLGBYHDITIN-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127033;MM127033;O=CCOCC1CC1;PAVLRNPVDHPTEK-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127034;MM127034;N#CCOCC1CC1;KAFIYBBHRSAACA-UHFFFAOYSA-N;111.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127035;MM127035;N=CNOCC1CC1;PCHBZLWXJWATMW-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127036;MM127036;O=CNOCC1CC1;KEVKCNDEQACXMM-UHFFFAOYSA-N;115.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127037;MM127037;C=CCCNC1CC1;RULYUEDLGXRCQA-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127038;MM127038;O=CCCNC1CC1;KZDRLVDKHGIUDA-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127039;MM127039;C=CCCOC1CC1;QDONPVWCQQPFOY-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127040;MM127040;O=CCCOC1CC1;UDEICXMNVIHQFG-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127041;MM127041;N#CCCOC1CC1;RFWBQRUQAGOVQE-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127042;MM127042;C=COCOC1CC1;LGNNHVOVCLLOAW-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127043;MM127043;O=COCOC1CC1;YXOMIFNRJFNWKZ-UHFFFAOYSA-N;116.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127044;MM127044;C=NOCOC1CC1;QDHBZNSRKLFQLA-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127045;MM127045;N=CNCCC1CN1;JGQOTPJWLIYJMP-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127046;MM127046;C=CCNCC1CN1;RDZMSLRJBPRTSE-UHFFFAOYSA-N;112.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127047;MM127047;N=CNNCC1CN1;VLRSDMLOALLQGY-UHFFFAOYSA-N;114.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127048;MM127048;N=CNOCC1CN1;RPGMZPOQULVJCN-UHFFFAOYSA-N;115.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127049;MM127049;C=CCCCC1CO1;KCCIMXJIZJBZPX-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127050;MM127050;O=CCCCC1CO1;JUXVXKPQVLWLQX-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127051;MM127051;N#CCCCC1CO1;YBLGVWROEYBQBC-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127052;MM127052;N=CNCCC1CO1;VHTHXYXEYZSBRF-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127053;MM127053;CCCN(C)C(=O)NC=N;SJLGTUZNNPFIOW-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127054;MM127054;C=NNCCC1CO1;UEIDMSUWDMXCEZ-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127055;MM127055;C=COCCC1CO1;ZACIHQHCNFWHSG-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127056;MM127056;O=COCCC1CO1;CLOZTDRXZPTMJW-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127057;MM127057;C=NOCCC1CO1;MYCJBMOUTBUMHD-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127058;MM127058;C=CCNCC1CO1;OXZBQXLSWPDNSX-UHFFFAOYSA-N;113.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127059;MM127059;N#CCNCC1CO1;XPEWHNJINKSRRI-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127060;MM127060;N=CNNCC1CO1;ZNRMLKIHUIBPDJ-UHFFFAOYSA-N;115.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127061;MM127061;CN(CCO)C(=O)NC=N;GSCCMKSKNIZRII-UHFFFAOYSA-N;145.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127062;MM127062;C=CCOCC1CO1;LSWYGACWGAICNM-UHFFFAOYSA-N;114.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127063;MM127063;O=CCOCC1CO1;AFOFOPJLYURXBW-UHFFFAOYSA-N;116.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127064;MM127064;N#CCOCC1CO1;WELQPLRAQRTASA-UHFFFAOYSA-N;113.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127065;MM127065;N=CNOCC1CO1;KSXLOKOFKMOGPH-UHFFFAOYSA-N;116.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127066;MM127066;O=CNOCC1CO1;FNJINKBPUCCBNF-UHFFFAOYSA-N;117.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127067;MM127067;CCCN(N)C(=O)NC=O;PLGFPFJEZCQKCV-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127068;MM127068;N#CCCCN1CC1;BXDRDFWYNGYFLO-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127069;MM127069;N=CNCCN1CC1;RNVXXMIXYGOOEH-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127070;MM127070;NN(CCO)C(=O)NC=O;PFSJCSBGDUQILX-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127071;MM127071;C=NNCCN1CC1;KOXGLJWKSPYKOD-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127072;MM127072;C=COCCN1CC1;HGNMOTQFFGAOCC-UHFFFAOYSA-N;113.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127073;MM127073;O=COCCN1CC1;OIWKNPSMCJWKKS-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127074;MM127074;C=NOCCN1CC1;ZOOLNAVSBVHIJH-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127075;MM127075;C#CCCCC1CC1;YPJAIENQUBMWDU-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127076;MM127076;C#CCNCC1CC1;CMEDMPFEVHCGIX-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127077;MM127077;C#CCOCC1CC1;DGDGVCYDMANHKF-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127078;MM127078;C#CCCNC1CC1;KULKTKJKBMJLMC-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127079;MM127079;C#CCCOC1CC1;XENAPUAHAUZNRZ-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127080;MM127080;C#CCCCC1CO1;PWYUJPMCHKZSIA-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127081;MM127081;C#CCNCC1CO1;YDSWIXWZEGXPMM-UHFFFAOYSA-N;111.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127082;MM127082;C#CCOCC1CO1;SYFZCLMMUNCHNH-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127083;MM127083;CC=CCCC1CC1;JDGPPSKIZGQDAF-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127084;MM127084;FC=CCCC1CC1;AQLBLAIQQGYMEL-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127085;MM127085;NN=CCCC1CC1;QYTXGIFRMPRQEM-UHFFFAOYSA-N;112.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127086;MM127086;ON=CCCC1CC1;KYKIBOLUYSKWJI-UHFFFAOYSA-N;113.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127087;MM127087;CN=CNCC1CC1;ZAIXZTPBXTWZLK-UHFFFAOYSA-N;112.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127088;MM127088;NN=CNCC1CC1;VNLLOMVQFLTNOR-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127089;MM127089;CC(C=NN)N(N)C=NO;DXPVUWQNFBGZQC-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127090;MM127090;CC=NNCC1CC1;PDRILORSBQNMGK-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127091;MM127091;CC=COCC1CC1;QBTKUGNHTHTLOA-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127092;MM127092;COC(C=O)C(=O)C(=N)N;GVVNVVUENASMPP-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127093;MM127093;ON=COCC1CC1;YXINKGDOQSSIBK-UHFFFAOYSA-N;115.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127094;MM127094;CC=NOCC1CC1;VZCNQBMXLNYGAN-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127095;MM127095;CC=CCNC1CC1;BDHUHTGINHESIC-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127096;MM127096;FC=CCNC1CC1;GZFMXGQZVFHVJQ-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127097;MM127097;CN=CNNC1CC1;GDNLYTQPTXCGMZ-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127098;MM127098;CCC=NNC(=O)N(C)N;JSOBDUBYDNLPFX-UHFFFAOYSA-N;144.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127099;MM127099;CC=CCOC1CC1;OWHVLJKWBZBDGH-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127100;MM127100;FC=CCOC1CC1;JPOOANWSDCOKCN-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127101;MM127101;NN=CCOC1CC1;DZADQZRTTVDZJZ-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127102;MM127102;ON=CCOC1CC1;NURTUCSYBPIUCV-UHFFFAOYSA-N;115.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127103;MM127103;CN=CNOC1CC1;QOTPKHNTTDZUMY-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127104;MM127104;CCC(C)CCC(C)=NO;LZWVHKKCILCDQG-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127105;MM127105;CN=CNCC1CN1;SDWWRZMOIBYJEN-UHFFFAOYSA-N;113.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127106;MM127106;NN=CNCC1CN1;JCHRKHFTKWFCSS-UHFFFAOYSA-N;114.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127107;MM127107;CC=CCCC1CO1;QARRDVBZMBYNFA-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127108;MM127108;FC=CCCC1CO1;HBHVQXSRCPNZSE-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127109;MM127109;NN=CCCC1CO1;GNCYNNULVJQLFM-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127110;MM127110;ON=CCCC1CO1;ARFFBTFKIALKLR-UHFFFAOYSA-N;115.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127111;MM127111;CN=CNCC1CO1;ZEUGNFNHAIUGLM-UHFFFAOYSA-N;114.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127112;MM127112;C=CC1(C)C=CC(=NO)N1;KJHSYLNOKXUWFD-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127113;MM127113;CC=NNCC1CO1;YLDMAQYLQUEUME-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127114;MM127114;CC=COCC1CO1;QXONIHMUSQFKJU-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127115;MM127115;FC=COCC1CO1;REHQGYDIOUIELW-UHFFFAOYSA-N;118.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127116;MM127116;CC1(CC(=NO)NN)CC1;GGHTXISRPGJWIA-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127117;MM127117;ON=COCC1CO1;FUJSLTHKACMVOT-UHFFFAOYSA-N;117.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127118;MM127118;CC=NOCC1CO1;UPMYFMDJPWGFSL-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127119;MM127119;FC=CCCN1CC1;NJBUDGSFVLFFPA-UHFFFAOYSA-N;115.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127120;MM127120;NN=CCCN1CC1;AIWPJEWPFLUXRA-UHFFFAOYSA-N;113.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127121;MM127121;C=C(F)CNC(CC)=NO;PNBTYDJSFUVMKO-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127122;MM127122;CC#CCCC1CC1;UUYFLXJZIUUXFW-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127123;MM127123;CC#CCNC1CC1;QJFXGPAMXXDHAO-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127124;MM127124;CC#CCOC1CC1;FFILCZPHAAFRIU-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127125;MM127125;CC#CCCC1CO1;XSELMQBMYMJURB-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127126;MM127126;CC#CCCN1CC1;LEAOJBFMVDPQBZ-UHFFFAOYSA-N;109.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127127;MM127127;CCC=CCC1CC1;ZVMNMZLCQRCSES-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127128;MM127128;NCC=CCC1CC1;WWOZIXMVJHFHIG-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127129;MM127129;OCC=CCC1CC1;KDFVTRARMONGCY-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127130;MM127130;FCC=CCC1CC1;GGPSCHBJTAQCGA-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127131;MM127131;COC=CCC1CC1;BZBAWAAJQWORSB-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127132;MM127132;CNN=CCC1CC1;HLNBRFOXMDZDCX-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127133;MM127133;CON=CCC1CC1;FCESXSQNTMDQIX-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127134;MM127134;CCN=CNC1CC1;FKTDMNDBPRYKMO-UHFFFAOYSA-N;112.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127135;MM127135;CON=CNC1CC1;BQRFZFKPNKBSLL-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127136;MM127136;CCC=NNC1CC1;GEGAKKMINRJKEP-UHFFFAOYSA-N;112.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127137;MM127137;CC(=O)ONC(=NO)NN;FGGXFLLDHANHMS-UHFFFAOYSA-N;148.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127138;MM127138;C=C(C#N)CCNC=NO;MZLHCWGGPIRDLY-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127139;MM127139;C=CC(=O)C(C#N)NN=C;JOPGQJKGBSNHFO-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127140;MM127140;CCC=COC1CC1;QAXKNRZNNCSGBN-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127141;MM127141;NCC=COC1CC1;FUTXWIPDIJLXCN-UHFFFAOYSA-N;113.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127142;MM127142;OCC=COC1CC1;YXSCFHFPVITXLC-UHFFFAOYSA-N;114.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127143;MM127143;FCC=COC1CC1;ILOLXNRTILTEIV-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127144;MM127144;COC=COC1CC1;SRUVPEUDRZUHRJ-UHFFFAOYSA-N;114.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127145;MM127145;C=CC(C)C(=NC)NC=O;RNLAJIIFMGQCIJ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127146;MM127146;CCC=NOC1CC1;AGIATIHQLOJKLN-UHFFFAOYSA-N;113.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127147;MM127147;NCC=NOC1CC1;ZUZWGLRUBCXDIL-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127148;MM127148;COC=NOC1CC1;FBVBMMWENAEOKU-UHFFFAOYSA-N;115.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127149;MM127149;NCC=CCC1CN1;LZSMVLVFPNSHDP-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127150;MM127150;CCC=CCC1CO1;PAMAYFDIVUSTFP-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127151;MM127151;NCC=CCC1CO1;WFYMSDONHFZWEP-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127152;MM127152;OCC=CCC1CO1;OYNJFLXAEFDYBF-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127153;MM127153;FCC=CCC1CO1;HXGJRCJSPMVRMY-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127154;MM127154;COC=CCC1CO1;TVLKUFXXOWDHTI-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127155;MM127155;CNN=CCC1CO1;YLOPQUVPMMFSFJ-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127156;MM127156;CON=CCC1CO1;FEMYHLTVHSWMOA-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127157;MM127157;CCC=CCN1CC1;RPOOOHKJCZURSJ-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127158;MM127158;NCC=CCN1CC1;PXVQCJLAYOBNOI-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127159;MM127159;C=CN(N)C(=NO)NC=O;RWUMWMMOUAVVMZ-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127160;MM127160;FCC=CCN1CC1;SYHGBRKVDAOLEO-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127161;MM127161;COC=CCN1CC1;SPIWRNVCAAINFT-UHFFFAOYSA-N;113.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127162;MM127162;CNN=CCN1CC1;VUJHZKPIQASXPI-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127163;MM127163;CON=CCN1CC1;ZDPDGZQUIVYLMV-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127164;MM127164;CCN=CNN1CC1;VYODIJDRJXEZRW-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127165;MM127165;C=CC=CCC1CC1;JLSJNFHPZFQFHS-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127166;MM127166;O=CC=CCC1CC1;ZIEDIZUHEVZQPK-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127167;MM127167;N#CC=CCC1CC1;OXJHZUARSNXHQB-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127168;MM127168;C=NN=CCC1CC1;NAMHVCCHHLVSHQ-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127169;MM127169;O=CC=CNC1CC1;RPRLLTFVZGJCJI-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127170;MM127170;N#CC=CNC1CC1;RAPVEYUYZHVWLT-UHFFFAOYSA-N;108.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127171;MM127171;N=CNC=NC1CC1;YGFOORWFXPSQJJ-UHFFFAOYSA-N;111.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127172;MM127172;O=CNC=NC1CC1;MASHOJOCUZGDKM-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127173;MM127173;CCC=CC(=NO)C(C)C;CHOMLMQDTYMEML-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127174;MM127174;C=CC=NNC1CC1;SXYQXHNSXAEAMN-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127175;MM127175;C=CC(CO)N(N)C=NO;ZQQPYJBCTUUXSH-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127176;MM127176;N#CC=NNC1CC1;IDPNWYTYZMNFQS-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127177;MM127177;C=CC=COC1CC1;PZFDSYQDOLYKJD-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127178;MM127178;O=CC=COC1CC1;FBYVWSWBMTVFQW-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127179;MM127179;N#CC=COC1CC1;AZVZVKMKBKZEIK-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127180;MM127180;C=NN=COC1CC1;GOTBDIITPFXHLX-UHFFFAOYSA-N;112.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127181;MM127181;C=CC=NOC1CC1;VHFNJBYYMCUYLT-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127182;MM127182;O=CC=NOC1CC1;BHHNDJRIPKKDHR-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127183;MM127183;N#CC=NOC1CC1;INXAEAHWFCEIQI-UHFFFAOYSA-N;110.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127184;MM127184;C=CC=CCC1CO1;SVMXSNSBPWCPSN-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127185;MM127185;O=CC=CCC1CO1;NZLBWJYZHUNQEZ-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127186;MM127186;N#CC=CCC1CO1;LDADWMJRRMGBCA-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127187;MM127187;C=NN=CCC1CO1;OLHOOWXYFJUARA-UHFFFAOYSA-N;112.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127188;MM127188;C=CC=CCN1CC1;PYPNXWKJCRKRAT-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127189;MM127189;O=CC=CCN1CC1;YMQRFPZXQWUGKW-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127190;MM127190;N#CC=CCN1CC1;GBLNQURQPABPHT-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127191;MM127191;C=NN=CCN1CC1;UXDAHSUDLHCTGH-UHFFFAOYSA-N;111.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127192;MM127192;N=CNC=NN1CC1;ZLJJRLNKDKSHDM-UHFFFAOYSA-N;112.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127193;MM127193;O=CNC=NN1CC1;WWBRFSZOLSWFHZ-UHFFFAOYSA-N;113.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127194;MM127194;CC=CC1C=CC(=NO)C1;UKDWSUFVDPLMTC-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127195;MM127195;C#CC=CCC1CC1;DFBLOJLRTPHWOK-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127196;MM127196;C#CC=NNC1CC1;WBIRGEVJXQBIGW-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127197;MM127197;C#CC=COC1CC1;SQIISHOQZQAGLT-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127198;MM127198;C#CC=NOC1CC1;QRWWCKRZQKTZTL-UHFFFAOYSA-N;109.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127199;MM127199;C#CC=CCC1CO1;VCCPLZZCMLKPSU-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127200;MM127200;C#CC=CCN1CC1;KOVHQMXKWCURSV-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127201;MM127201;CCC#CCC1CC1;LWLRFTALAFJMTD-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127202;MM127202;NCC#CCC1CC1;XXAIOOFZAJSUEC-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127203;MM127203;OCC#CCC1CC1;ILNNWVBMHMXTCU-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127204;MM127204;FCC#CCC1CC1;QCINVYLERVRHNI-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127205;MM127205;NCC#CCC1CN1;YKZYSRHTEBTPNJ-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127206;MM127206;CCC#CCC1CO1;KJJIVFBKAQJUMY-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127207;MM127207;NCC#CCC1CO1;VCUYKXYLCXHJCK-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127208;MM127208;OCC#CCC1CO1;YGTUPWPODNFLAT-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127209;MM127209;FCC#CCC1CO1;TUNAKHUGNMOSBL-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127210;MM127210;CCC#CCN1CC1;RKINIKYWCAMEGE-UHFFFAOYSA-N;109.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127211;MM127211;NCC#CCN1CC1;HJPKMDVXKBYYKO-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127212;MM127212;C=NNC1=NN=C(CC)C1;BJWHKFISJVCTLV-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127213;MM127213;FCC#CCN1CC1;FJBSQGIZPSSRCT-UHFFFAOYSA-N;113.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127214;MM127214;C=CC#CCC1CC1;CCUGMNMKSNYMDV-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127215;MM127215;O=CC#CCC1CC1;XAIIJSXFSPHXAA-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127216;MM127216;N#CC#CCC1CC1;GJGPLJBWXYTMGA-UHFFFAOYSA-N;105.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127217;MM127217;C=CC#CCC1CO1;HIPUAPKREVZVES-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127218;MM127218;O=CC#CCC1CO1;PXGKDMHXJHXXFQ-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127219;MM127219;N#CC#CCC1CO1;JHBFVWGDIHTJDA-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127220;MM127220;C=CC#CCN1CC1;BJLNQAMFVOOSQG-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127221;MM127221;O=CC#CCN1CC1;SPMQPYXNDUVJRQ-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127222;MM127222;N#CC#CCN1CC1;AVPYKEWHVVFUCS-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127223;MM127223;C#CC#CCC1CC1;SJVVUSHQSLSIOA-UHFFFAOYSA-N;104.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127224;MM127224;C#CC#CCC1CO1;YYUVTFIJKUYZLZ-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127225;MM127225;C#CC#CCN1CC1;UJETXCDBRPALSY-UHFFFAOYSA-N;105.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127226;MM127226;CCCC=CC1CC1;RKHFURBCAVAXLL-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127227;MM127227;NCCC=CC1CC1;OYASVNZVLUQQIL-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127228;MM127228;OCCC=CC1CC1;LQJXQXWCIKZTAH-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127229;MM127229;FCCC=CC1CC1;VMDFSXRTKSZBSR-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127230;MM127230;CNCC=CC1CC1;PELGZUDWCBEASZ-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127231;MM127231;COCC=CC1CC1;YFJWCWJHCRIRAR-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127232;MM127232;CCOC=CC1CC1;GBYRZRQLBXCRDI-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127233;MM127233;CCNN=CC1CC1;LHSOQWIXHSZGIW-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127234;MM127234;CCON=CC1CC1;WNOKLRUYWWMFHP-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127235;MM127235;NCCC=CC1CN1;RLODQGYPWZWDSE-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127236;MM127236;CNCC=CC1CN1;COJCZSHEAHEUFI-UHFFFAOYSA-N;112.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127237;MM127237;CCNN=CC1CN1;QGKPLJBHMUUAPI-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127238;MM127238;CCON=CC1CN1;HBVSNOPQSZPSJK-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127239;MM127239;CCCC=CC1CO1;ORAIMNMTGKSZOF-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127240;MM127240;NCCC=CC1CO1;ARGGXCWHMIOGFE-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127241;MM127241;OCCC=CC1CO1;IQRZQNWKSVDQAP-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127242;MM127242;FCCC=CC1CO1;ATWNQEOTZGUSGX-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127243;MM127243;CNCC=CC1CO1;PMBJNGYDBBPYTM-UHFFFAOYSA-N;113.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127244;MM127244;COCC=CC1CO1;PTDVRSKEMZBDSF-UHFFFAOYSA-N;114.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127245;MM127245;CCOC=CC1CO1;MLRNIBLTNTVEOB-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127246;MM127246;CCNN=CC1CO1;HYXJYZWJZKJBOL-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127247;MM127247;CCON=CC1CO1;YGMUPEBCOVYWAC-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127248;MM127248;CCCN=CN1CC1;HMIYBKKWPBHWJT-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127249;MM127249;NCCN=CN1CC1;KHSZSHZZPTZXKB-UHFFFAOYSA-N;113.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127250;MM127250;OCCN=CN1CC1;RSTXSENGPFKHKW-UHFFFAOYSA-N;114.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127251;MM127251;CCON=CN1CC1;AQQNWYUFTBCQBB-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127252;MM127252;CCCC=NN1CC1;ORZYOOQCWATDMQ-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127253;MM127253;NCCC=NN1CC1;LHIOVXGDQKUVIG-UHFFFAOYSA-N;113.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127254;MM127254;N=CN1CCC(=NO)C=N1;IZHIHTJCXJPKIV-UHFFFAOYSA-N;140.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127255;MM127255;FCCC=NN1CC1;FPACOWOUSLCSHP-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127256;MM127256;COCC=NN1CC1;XHZDGJPWCYPJHS-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127257;MM127257;CCOC=NN1CC1;OYFBKCQEKRTFAH-UHFFFAOYSA-N;114.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127258;MM127258;C=CCC=CC1CC1;HEMRNTRPAAIPKW-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127259;MM127259;O=CCC=CC1CC1;JVORQOPRZIVJQF-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127260;MM127260;N#CCC=CC1CC1;AOBBUSAAULAUDH-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127261;MM127261;N=CNC=CC1CC1;URVGPTPMILXJKL-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127262;MM127262;O=CNC=CC1CC1;LRGJQQQANNMRHD-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127263;MM127263;C=COC=CC1CC1;PJKAMCUWOBARFK-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127264;MM127264;O=COC=CC1CC1;WKOJGSUCHXFWMB-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127265;MM127265;O=CNN=CC1CC1;XUMDZEHXCGRGKN-UHFFFAOYSA-N;112.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127266;MM127266;O=CON=CC1CC1;IVGKTBNGWVQGHE-UHFFFAOYSA-N;113.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127267;MM127267;C=CN=CNC1CC1;STHFAQYJYDMZST-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127268;MM127268;N=CNC=CC1CN1;HANOJVDGGDXHFB-UHFFFAOYSA-N;111.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127269;MM127269;CN(C)C(=O)NC=N;IOUGEAXHBSRDMO-UHFFFAOYSA-N;115.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127270;MM127270;O=CON=CC1CN1;LYONNNBCJQAOPX-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127271;MM127271;C=CCC=CC1CO1;HCOUDSSBQFGTSM-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127272;MM127272;O=CCC=CC1CO1;IJCXKZJRYIRAHL-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127273;MM127273;N#CCC=CC1CO1;LRRULEUMWUGCIG-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127274;MM127274;N=CNC=CC1CO1;BKHDPBYXVRHFTB-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127275;MM127275;O=CNC=CC1CO1;CZXLWXZGSCWUCD-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127276;MM127276;C=COC=CC1CO1;DAHHHFJGJUGBAJ-UHFFFAOYSA-N;112.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127277;MM127277;O=COC=CC1CO1;ALQHMIUDCLFJMZ-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127278;MM127278;O=CNN=CC1CO1;HCVPCZJSJIXGSK-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127279;MM127279;O=CON=CC1CO1;ZLURLLMFFRSWRS-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127280;MM127280;C=CCN=CN1CC1;QVCHKWKBRLQOFY-UHFFFAOYSA-N;110.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127281;MM127281;O=CCN=CN1CC1;CFCZYQMVUCVOMH-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127282;MM127282;O=CNN=CN1CC1;OAYKFEDUGJLONN-UHFFFAOYSA-N;113.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127283;MM127283;O=CON=CN1CC1;UWMRNJJWANXCIZ-UHFFFAOYSA-N;114.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127284;MM127284;C=CCC=NN1CC1;MMKALJXOWQIPNU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127285;MM127285;CC1=CC(=NO)CN1;FNPONCCDNYHQOK-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127286;MM127286;N#CCC=NN1CC1;IOLSUVSMENVGNC-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127287;MM127287;C=CN=CNN1CC1;LDVNKYAZHGLDJA-UHFFFAOYSA-N;111.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127288;MM127288;C=COC=NN1CC1;TWYJDXAQMMVROW-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127289;MM127289;O=COC=NN1CC1;ZZEXYILOXNNZLW-UHFFFAOYSA-N;114.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127290;MM127290;C=NOC=NN1CC1;YRYZVXPXQKOSRS-UHFFFAOYSA-N;113.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127291;MM127291;C#CCC=CC1CC1;GGQFLVGMIGGHDX-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127292;MM127292;C#CCC=CC1CO1;AGADBESMKCOTMG-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127293;MM127293;C#CCC=NN1CC1;GGRKCNXVQWVNOB-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127294;MM127294;CC=CC=CC1CC1;WFBHWTJLJJBCEC-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127295;MM127295;FC=CC=CC1CC1;OTLQWFLOCKLVAX-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127296;MM127296;NN=CC=CC1CC1;ARZXRHYBUJHXGU-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127297;MM127297;N=CNC(=O)CC(N)=O;YUSLEDYTUFMTFR-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127298;MM127298;CC=NN=CC1CC1;IXMGQYJYSJFUGD-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127299;MM127299;CC=NN=CC1CN1;HNSQXVNTSSQYCF-UHFFFAOYSA-N;111.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127300;MM127300;CC=CC=CC1CO1;KTUQVVCQJYABJR-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127301;MM127301;FC=CC=CC1CO1;GQTJIHWEDDOZKN-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127302;MM127302;NN=CC=CC1CO1;CFFBAFCRJZJQFP-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127303;MM127303;ON=CC=CC1CO1;GABWBQSZBHKFAI-UHFFFAOYSA-N;113.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127304;MM127304;CC=NN=CC1CO1;WTVINBVKMTVYJU-UHFFFAOYSA-N;112.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127305;MM127305;CCC=CC(=N)NC=O;AOCQQXVCCLXPEO-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127306;MM127306;ON=CN=CN1CC1;MCBYCYOJMMZBMO-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127307;MM127307;CC=NN=CN1CC1;VKOVXBIGWIYVBA-UHFFFAOYSA-N;111.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127308;MM127308;CC=CC=NN1CC1;RLVAVLHFXNLKAH-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127309;MM127309;FC=CC=NN1CC1;PSPPPZGEAQSNQM-UHFFFAOYSA-N;114.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127310;MM127310;ON=CC=NN1CC1;CJTCOAUSBMAIHS-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127311;MM127311;CC#CC=CC1CC1;PFLRFKLIKDHKEQ-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127312;MM127312;CC#CC=CC1CO1;BMOTVIWGNVSDNB-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127313;MM127313;CC#CC=NN1CC1;OJEUOVCNUDNHTE-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127314;MM127314;CCCC#CC1CC1;CQKCLADFWJHOTA-UHFFFAOYSA-N;108.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127315;MM127315;NCCC#CC1CC1;XRVLNZULUDYEKY-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127316;MM127316;OCCC#CC1CC1;MHVGHTDVCWUTIG-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127317;MM127317;FCCC#CC1CC1;ITHNICIURKXLGS-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127318;MM127318;CNCC#CC1CC1;FMVMXXBOJJCYHW-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127319;MM127319;COCC#CC1CC1;CPMCUTCEWPRSIU-UHFFFAOYSA-N;110.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127320;MM127320;CCCC#CC1CN1;BSZBGAUPHLJJME-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127321;MM127321;NCCC#CC1CN1;CDPWUHUQQLDJDD-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127322;MM127322;N#CC=CC(=O)NC=N;WHHODSPZJPFORF-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127323;MM127323;FCCC#CC1CN1;DDVUNTZUPJATMT-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127324;MM127324;CNCC#CC1CN1;URYIVXSLAKMKBH-UHFFFAOYSA-N;110.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127325;MM127325;COCC#CC1CN1;SMQVOQGWUCCXFC-UHFFFAOYSA-N;111.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127326;MM127326;CCCC#CC1CO1;UEWYNZLILYGFBF-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127327;MM127327;NCCC#CC1CO1;DOAJKYMYBHRBNL-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127328;MM127328;OCCC#CC1CO1;KDCVGNHKTHCNQQ-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127329;MM127329;FCCC#CC1CO1;ZQSDNKWUBJHBSI-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127330;MM127330;CNCC#CC1CO1;YVJZXZRLFDYAKQ-UHFFFAOYSA-N;111.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127331;MM127331;COCC#CC1CO1;MKGVNTZGGYZODZ-UHFFFAOYSA-N;112.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127332;MM127332;C=CCC#CC1CC1;AQQMYUXQUJIVOX-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127333;MM127333;O=CCC#CC1CC1;SGIIBLJYHONNGB-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127334;MM127334;N#CCC#CC1CC1;ANRIKTNVIUVFPM-UHFFFAOYSA-N;105.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127335;MM127335;C=CCC#CC1CN1;SNRRULLBHWHPPN-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127336;MM127336;CCCC=C(C)C=NO;KCWXEJSOKKERHD-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127337;MM127337;CC(C=CCCO)=NO;SGXBTQOLFOHPJV-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127338;MM127338;C=CCC#CC1CO1;BREBLPQBZAWKMH-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127339;MM127339;O=CCC#CC1CO1;RTBSULBYPADKLJ-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127340;MM127340;N#CCC#CC1CO1;RTCLMSSRQWUXOC-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127341;MM127341;C#CCC#CC1CC1;BIOKQIDKFRZIDQ-UHFFFAOYSA-N;104.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127342;MM127342;C#CCC#CC1CN1;CCQMBSFDCSCGIQ-UHFFFAOYSA-N;105.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127343;MM127343;C#CCC#CC1CO1;NYJONZZNAGKLNA-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127344;MM127344;CC=CC#CC1CC1;FAPRZFYVJFKTJK-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127345;MM127345;FC=CC#CC1CC1;QQHZFKOJKZUWHC-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127346;MM127346;NN=CC#CC1CC1;GQUQHCMMDSJKSX-UHFFFAOYSA-N;108.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127347;MM127347;ON=CC#CC1CC1;PDOZCVURVDCCSW-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127348;MM127348;CC=CC#CC1CN1;FJLPUXWFPFVSQS-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127349;MM127349;FC=CC#CC1CN1;XSLPCIJJSPYPBK-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127350;MM127350;NN=CC#CC1CN1;NOEUFCOZZVVKKQ-UHFFFAOYSA-N;109.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127351;MM127351;CC1CC(=NO)NN1C;KOJBUPUXYIFPNB-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127352;MM127352;CC=CC#CC1CO1;SKWOWEUJPRORID-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127353;MM127353;FC=CC#CC1CO1;VHOMJIZENQLYAH-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127354;MM127354;NC(=O)NC=NC1CC1;GMCQMFCJECAMPW-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127355;MM127355;ON=CC#CC1CO1;QMQJEQCMVXVUPA-UHFFFAOYSA-N;111.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127356;MM127356;CC#CC#CC1CC1;ZEKLXAZDDKNQBK-UHFFFAOYSA-N;104.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127357;MM127357;CC#CC#CC1CN1;ZEVSMIYTCNRFBC-UHFFFAOYSA-N;105.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127358;MM127358;CC#CC#CC1CO1;PGSGNJJPCFIZIR-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127359;MM127359;CCC1C(C)C1CC;GBHNEQYEBGTXOE-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127360;MM127360;CCC1C(C)C1CN;AIWOMQDUEPMXED-UHFFFAOYSA-N;113.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127361;MM127361;CC1C(CN)C1CN;VHVRAMOBCVOBEQ-UHFFFAOYSA-N;114.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127362;MM127362;CC1C(CN)C1CO;POROBSCZGLDCAG-UHFFFAOYSA-N;115.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127363;MM127363;CC1C(CN)C1CF;CRNYAIDLKSLCLA-UHFFFAOYSA-N;117.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127364;MM127364;CC1C(CO)C1CO;FOPMNOFUXDHJDL-UHFFFAOYSA-N;116.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127365;MM127365;CC1C(CO)C1CF;CTEWMYFZFFWTOU-UHFFFAOYSA-N;118.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127366;MM127366;CC1C(CF)C1CF;XLYPRNZFUCAWJB-UHFFFAOYSA-N;120.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127367;MM127367;CCC1C(N)C1CC;FXSWNVGIBCUQEJ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127368;MM127368;CCC1C(N)C1CN;PPYJASVBVAEZES-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127369;MM127369;CCC1C(N)C1CO;GVODNJCYTCXQQC-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127370;MM127370;CCC1C(N)C1CF;NBKYQXHRNHUSFJ-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127371;MM127371;NCC1C(N)C1CN;IKPXKYHLLAQHAM-UHFFFAOYSA-N;115.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127372;MM127372;NCC1C(N)C1CO;KWVZKYIRPLIVMU-UHFFFAOYSA-N;116.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127373;MM127373;NC1C(CF)C1CF;IRTARKPWRWMBKX-UHFFFAOYSA-N;121.13;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127374;MM127374;CC=C(C)C(CC)=NO;SFSZADRVYZIVQN-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127375;MM127375;CCC1C(O)C1CN;XORIUXKARWXPMY-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127376;MM127376;CCC1C(O)C1CO;CUPMRYDOHWUNGD-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127377;MM127377;CCC1C(O)C1CF;XKANNWNFMKABOS-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127378;MM127378;OCC1C(O)C1CO;FZZDWVPGGAGLKU-UHFFFAOYSA-N;118.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127379;MM127379;CCC1C(C)C1NC;YRYSWTBKHAGVIG-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127380;MM127380;CNC1C(C)C1CN;IPUOJPVEECADIM-UHFFFAOYSA-N;114.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127381;MM127381;CNC1C(C)C1CO;QWWXWQXHOWCUFP-UHFFFAOYSA-N;115.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127382;MM127382;CCC1C(N)C1NC;ZLOFCMTYMKOYPT-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127383;MM127383;CNC1C(N)C1CN;XDDXZGVKCWYYSZ-UHFFFAOYSA-N;115.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127384;MM127384;CNC1C(N)C1CO;XXFFPVMLXNWWDX-UHFFFAOYSA-N;116.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127385;MM127385;CCC1C(O)C1NC;TXTHFEOZCGOIDT-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127386;MM127386;CCC1C(F)C1NC;FKTLDLFFKQZPSJ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127387;MM127387;COC1C(C)C1CN;WGEKHPNGJZIVLL-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127388;MM127388;COC1C(C)C1CF;ZXZVJLFUNUXKBN-UHFFFAOYSA-N;118.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127389;MM127389;CCC1C(N)C1OC;YVVUPPFRVQNCOO-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127390;MM127390;COC1C(N)C1CN;YTFFNBPUPTUXIE-UHFFFAOYSA-N;116.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127391;MM127391;COC1C(N)C1CO;XUYMDSBWTBFSID-UHFFFAOYSA-N;117.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127392;MM127392;CCC1C(O)C1OC;IPNCGIWIOJSGFK-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127393;MM127393;COC1C(O)C1CN;KVYDIZFPMOWHJK-UHFFFAOYSA-N;117.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127394;MM127394;COC1C(O)C1CO;DJKPWQIASINEGO-UHFFFAOYSA-N;118.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127395;MM127395;CNC1C(C)C1NC;UQNADEMUCMKKEQ-UHFFFAOYSA-N;114.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127396;MM127396;CNC1C(N)C1NC;AUTPXXZCWHMMMA-UHFFFAOYSA-N;115.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127397;MM127397;CNC1C(C)C1OC;ATLFWGDWSIKTTA-UHFFFAOYSA-N;115.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127398;MM127398;CNC1C(N)C1OC;GFGKFZWVBRUGQY-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127399;MM127399;CNC1C(O)C1OC;PHURMPNJXXWOFK-UHFFFAOYSA-N;117.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127400;MM127400;COC1C(C)C1OC;ANMTWQVWJZVHKV-UHFFFAOYSA-N;116.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127401;MM127401;COC1C(N)C1OC;SCCTXSMJFJUKJX-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127402;MM127402;COC1C(O)C1OC;CRUCCFVQFGUBMG-UHFFFAOYSA-N;118.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127403;MM127403;CCC1C(CN)N1C;ZFDWSNLPXATYSD-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127404;MM127404;CCC1C(CF)N1C;BRIWABCQLNBAAZ-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127405;MM127405;CNc1cc(=NN)o[nH]1;BHWMMPYQEHDKQY-UHFFFAOYSA-N;128.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127406;MM127406;C=CC1=CC(=NO)NC1;OZKVNTMPSKWXSB-UHFFFAOYSA-N;124.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127407;MM127407;CN1C(CF)C1CF;JVOPJISQFRKAPO-UHFFFAOYSA-N;121.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127408;MM127408;CCN1C(C)C1CN;XLNXXXXXWWSDAW-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127409;MM127409;CCN1C(C)C1CF;HZVKQTJEXVBFET-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127410;MM127410;C=CC1C(C)C1CC;XGYYAPLTWDECLD-UHFFFAOYSA-N;110.2;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127411;MM127411;CCC1C(C)C1C#N;UQYVFUGUUHDJPL-UHFFFAOYSA-N;109.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127412;MM127412;C=CC1C(C)C1CN;XONYPSDBQFBXQR-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127413;MM127413;CN=C(NC=O)C(C)(C)C;UDEKDSFUVCCPMT-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127414;MM127414;CC1C(C=O)C1CO;AJFUHEUFKIZEQS-UHFFFAOYSA-N;114.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127415;MM127415;CC1C(C#N)C1CO;WXIZHQOXOBCQCI-UHFFFAOYSA-N;111.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127416;MM127416;C=CC1C(C)C1CF;UAQYHLDCWRKJLU-UHFFFAOYSA-N;114.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127417;MM127417;CC1C(C=O)C1CF;SFJCZQRLIXAJQO-UHFFFAOYSA-N;116.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127418;MM127418;C=CC1C(N)C1CC;SXZVTIPFTOYWLD-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127419;MM127419;C=CC1C(N)C1CN;MNCBOLMXAWFGRE-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127420;MM127420;C=CC1C(N)C1CO;HKCHQWUUYFQICQ-UHFFFAOYSA-N;113.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127421;MM127421;C=CC1C(N)C1CF;ODEMIOYBTFYTSB-UHFFFAOYSA-N;115.15;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127422;MM127422;CC(=O)NC(=N)C=CCF;KWLNSOWWTSRUSZ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127423;MM127423;CCC1C(O)C1C=O;IGQDIIQQVZRVPV-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127424;MM127424;CCC1C(O)C1C#N;IVXBOGCKAPTBJE-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127425;MM127425;C=CC1C(O)C1CN;BWJZEXVYKOOWAE-UHFFFAOYSA-N;113.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127426;MM127426;N#CC1C(O)C1CO;GAAATGTZQLRKQT-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127427;MM127427;C=CC1C(O)C1CF;HPMTWGHGGKSIGI-UHFFFAOYSA-N;116.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127428;MM127428;N#CC1C(O)C1CF;VTHSRSGDIWFAPQ-UHFFFAOYSA-N;115.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127429;MM127429;CCC1C(F)C1C#N;DHGMILPKGDXYPL-UHFFFAOYSA-N;113.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127430;MM127430;C=CC1C(C)C1NC;GPEACWUOPQSYNT-UHFFFAOYSA-N;111.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127431;MM127431;CNC1C(C)C1C=O;LUSDFDAKTYTDTF-UHFFFAOYSA-N;113.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127432;MM127432;C=CC1C(N)C1NC;FKNXDQSBEFLWIJ-UHFFFAOYSA-N;112.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127433;MM127433;C=CC1C(O)C1NC;MVSUGMFYKQYRRD-UHFFFAOYSA-N;113.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127434;MM127434;C=CC1C(C)C1OC;KHPUCVQPTZEOTM-UHFFFAOYSA-N;112.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127435;MM127435;COC1C(C)C1C=O;BZNUYPVBOSDZOL-UHFFFAOYSA-N;114.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127436;MM127436;COC1C(C)C1C#N;JIWXNQXEMZILFB-UHFFFAOYSA-N;111.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127437;MM127437;C=CC1C(N)C1OC;KOJZIJZLOCFLRH-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127438;MM127438;C=CC1C(O)C1OC;XQLWNSKWGKLHRB-UHFFFAOYSA-N;114.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127439;MM127439;COC1C(O)C1C#N;DAYFKPLFIVGPJK-UHFFFAOYSA-N;113.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127440;MM127440;C=CC1C(CC)N1C;VVWBGGLITBBTIM-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127441;MM127441;C#CC(=O)NNCC(=C)C;LORJNCKPQBZPPW-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127442;MM127442;CCC1C(C#N)N1C;VMDMOCPOJULLBY-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127443;MM127443;C#CC(C)NC(=O)NC=N;GSPOBTWNWCNQNR-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127444;MM127444;C=CC(=O)NC(C)=NCC;CQBRMYIVCGWKSU-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127445;MM127445;C#CC=C(C)NC(C)=NO;OOSNYXRLQWEQDW-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127446;MM127446;CN1C(C#N)C1CF;AJCLTGLJVAYXHR-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127447;MM127447;CCC1C(C)N1C=N;TVTXEBHMEMIVBY-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127448;MM127448;CCC1C(C)N1C=O;YKNJKBRIKRDODL-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127449;MM127449;CC1C(CN)N1C=N;WMCBPWLETKTCPI-UHFFFAOYSA-N;113.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127450;MM127450;CC1C(CN)N1C=O;MFKUWDGRONMTBS-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127451;MM127451;CC1C(CO)N1C=N;QBJZQQIMKCQRSS-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127452;MM127452;CC1C(CO)N1C=O;SYLOPACPBZCLRZ-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127453;MM127453;CC1C(CF)N1C=N;RPOUQWGKRIUYHR-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127454;MM127454;CC1C(CF)N1C=O;DGCKUCYXBZJTCA-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127455;MM127455;C=NN1C(C)C1CC;RMBJWUNONCDQBG-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127456;MM127456;C=NN1C(C)C1CN;LXDAMWPMDRXDCF-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127457;MM127457;CNN=CCN(N)C=NO;WOQYDGHJBLQUAE-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127458;MM127458;C=NN1C(C)C1CF;ITRPPQQVFVGRRJ-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127459;MM127459;C=CC1C(C)N1CC;RQSFQHUAZDQVCO-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127460;MM127460;CCCC=CC(=N)NC=O;HNFOLPZFXMAQLP-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127461;MM127461;CCN1C(C)C1C#N;NSNUWSRLVQULLC-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127462;MM127462;C#CC1C(C)C1CC;XOOWQLLCGWLPBN-UHFFFAOYSA-N;108.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127463;MM127463;C#CC1C(C)C1CN;ATVPEVHMPRCQSE-UHFFFAOYSA-N;109.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127464;MM127464;COCC=CC(=N)NC=O;HTWDUZWTEFPJSF-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127465;MM127465;C#CC1C(C)C1CF;VGSIKGGBAJAORA-UHFFFAOYSA-N;112.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127466;MM127466;C#CC1C(N)C1CC;AFGAZPZLAKGZJG-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127467;MM127467;C#CC1C(N)C1CN;FOESVQWCGNJOHG-UHFFFAOYSA-N;110.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127468;MM127468;C#CC1C(N)C1CO;FUFPFUQRWBLPEE-UHFFFAOYSA-N;111.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127469;MM127469;C#CC1C(N)C1CF;YYYYAJGZLKNXCC-UHFFFAOYSA-N;113.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127470;MM127470;CNC(C)(CF)C(O)C#N;HGFMCCDILMFUJE-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127471;MM127471;C#CC1C(O)C1CN;ZLTPMZMCFRBPDH-UHFFFAOYSA-N;111.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127472;MM127472;C#CC1C(O)C1CO;WWLJHXXUBBPJDH-UHFFFAOYSA-N;112.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127473;MM127473;C#CC1C(O)C1CF;RSQDCHKOSDAZQZ-UHFFFAOYSA-N;114.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127474;MM127474;C#CC1C(C)C1NC;UBIVUUPCZSWYKT-UHFFFAOYSA-N;109.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127475;MM127475;C#CC1C(N)C1NC;JMSICHKQERBISG-UHFFFAOYSA-N;110.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127476;MM127476;C#CC1C(O)C1NC;RKDNQVOMPNASAN-UHFFFAOYSA-N;111.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127477;MM127477;C#CC1C(C)C1OC;LYLJDRRBCBMDLG-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127478;MM127478;C#CC1C(N)C1OC;SZNZTHJGGAKXDV-UHFFFAOYSA-N;111.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127479;MM127479;C#CC1C(O)C1OC;YVEPKKNXFVAHDF-UHFFFAOYSA-N;112.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127480;MM127480;C#CC1C(CC)N1C;OTOVZUDOAJXAJD-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127481;MM127481;C#CC1C(CN)N1C;AYBXSXLVBCGFAS-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127482;MM127482;C#CC(O)(CO)CON=C;DDAWXAPLGGPGIO-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127483;MM127483;C#CC1C(C)N1CC;CSITUUVXEGOKSL-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127484;MM127484;C=CC1C(C)C1C=C;KHICAKXHLVPSHJ-UHFFFAOYSA-N;108.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127485;MM127485;C=CC1C(C)C1C=O;GXGDUFXTRGGFGB-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127486;MM127486;C=CC1C(C)C1C#N;IVDCCZJAOUOLCD-UHFFFAOYSA-N;107.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127487;MM127487;CC1C(C#N)C1C=O;NSEMXPCGEOVXBY-UHFFFAOYSA-N;109.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127488;MM127488;CC1C(C#N)C1C#N;HFNFTAMBOMJHNK-UHFFFAOYSA-N;106.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127489;MM127489;C=CC1C(N)C1C=C;BYJQOEJBUSKSEX-UHFFFAOYSA-N;109.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127490;MM127490;C=CC1(C)CCC(=NO)N1;GPINCASVPYEGJP-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127491;MM127491;C=CC1C(O)C1C=O;XXSIFXJLXMJPDA-UHFFFAOYSA-N;112.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127492;MM127492;C=CC1C(O)C1C#N;YUCLYWLEXVYUIB-UHFFFAOYSA-N;109.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127493;MM127493;O=CC1C(O)C1C=O;ANYSHPQRAHQCHL-UHFFFAOYSA-N;114.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127494;MM127494;N#CC1C(O)C1C=O;XBDRDKZJUJNZHP-UHFFFAOYSA-N;111.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127495;MM127495;N#CC1C(O)C1C#N;RXMCSPKOYMGYRU-UHFFFAOYSA-N;108.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127496;MM127496;C=CC1C(F)C1C=C;AXEKPDFDUYGXEF-UHFFFAOYSA-N;112.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127497;MM127497;N#CC1C(F)C1C=O;PCSWMJLGDCBHKF-UHFFFAOYSA-N;113.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127498;MM127498;N#CC1C(F)C1C#N;QLQQQNFYURAZDF-UHFFFAOYSA-N;110.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127499;MM127499;C=CC1C(C=C)N1C;NTRVUCSIUQODSX-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127500;MM127500;C=NNCC(C#N)C#CC;AIIONASRLXWWTE-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127501;MM127501;C=CC1C(C#N)N1C;NOMRNODWJFDAFI-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127502;MM127502;CNC(=NO)N(C=N)C=O;UKJUPWDVBYEXBP-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127503;MM127503;C=CC(=NO)NNCC#N;DJUVHUKOADDHMB-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127504;MM127504;CN1C(C#N)C1C#N;UOKPTJGUBYVRGC-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127505;MM127505;C=CC1C(C)N1C=N;IMBUFOUDYRXVOX-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127506;MM127506;C=CC1C(C)N1C=O;NBDYLQOILKFMDD-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127507;MM127507;CC1C(C=O)N1C=N;HXLZGKURMITENE-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127508;MM127508;C=CC(C=C)C=CC=NO;OGGRZNHCOIIAJO-UHFFFAOYSA-N;137.18;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127509;MM127509;CC1C(C#N)N1C=O;FHSKXAGSJIOTLF-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127510;MM127510;C=CC1C(C)N1N=C;SUSYNEXXHQIFEH-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127511;MM127511;CNNC(=O)C(=CF)CO;UHYGYLSLHCZJSN-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127512;MM127512;C=NN1C(C)C1C#N;OQCNXQFJQFGRAH-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127513;MM127513;C#CC1C(C)C1C=C;ZAEWEZWIXLPENH-UHFFFAOYSA-N;106.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127514;MM127514;C#CC1C(C)C1C=O;IGJNOIPFWDRWNV-UHFFFAOYSA-N;108.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127515;MM127515;C#CC1C(C)C1C#N;ARWSYSGNBYHNOI-UHFFFAOYSA-N;105.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127516;MM127516;C#CC1C(N)C1C=C;VMDJHMNJBCRPBG-UHFFFAOYSA-N;107.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127517;MM127517;C#CC1C(O)C1C=O;PSONHMZEWCGWML-UHFFFAOYSA-N;110.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127518;MM127518;C#CC1C(O)C1C#N;AOLBJONJZFJHPN-UHFFFAOYSA-N;107.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127519;MM127519;C#CC1C(F)C1C=C;RJKDRDMGVHMJNX-UHFFFAOYSA-N;110.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127520;MM127520;C#CC1C(F)C1C=O;QMQXLLYPDAOVIK-UHFFFAOYSA-N;112.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127521;MM127521;C#CC1C(C=C)N1C;RUKHEZHCUJGIGU-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127522;MM127522;CCC=C(C)C(CC)=NO;IBWKGVJUAVZWFL-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127523;MM127523;C#CC1C(C#N)N1C;QFZUZTOHSPYYKA-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127524;MM127524;C#CC1C(C)N1C=N;QPJDCMDGNJQPDK-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127525;MM127525;C#CC1C(C)N1C=O;JWZJEFLTSGOWBI-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127526;MM127526;C#CC1C(C)N1N=C;GFCAOAHFZHMKCU-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127527;MM127527;C#CC1C(C)C1C#C;LGKXXESNMNGNLZ-UHFFFAOYSA-N;104.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127528;MM127528;C#CC1C(N)C1C#C;PHWLLSYBDJOPLV-UHFFFAOYSA-N;105.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127529;MM127529;C#CC1C(O)C1C#C;ZOKPPOCSALXHDZ-UHFFFAOYSA-N;106.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127530;MM127530;C#CC1C(F)C1C#C;REVOXYHUXJITHB-UHFFFAOYSA-N;108.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127531;MM127531;C#CC1C(C#C)N1C;QAHIMUYWCUXFCW-UHFFFAOYSA-N;105.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127532;MM127532;CCCC1CC1CC;PJCQFBOQOMRARG-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127533;MM127533;CCC1CC1CCN;OHIVFQXWXZDIJF-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127534;MM127534;C=CC1(C(=O)NC=N)CC1;BUUAWSMLUAVWSV-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127535;MM127535;CCC1CC1CCF;UUBYOEVVLCSABE-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127536;MM127536;CCCC1CC1CN;ZRUKDUJWHBADHY-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127537;MM127537;NCCC1CC1CN;HADHXCRAPHSNEW-UHFFFAOYSA-N;114.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127538;MM127538;NCC1CC1CCO;RCLFQMDXBNCOBY-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127539;MM127539;NCC1CC1CCF;VDLVOEVXSDKJNR-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127540;MM127540;C=NNC(=O)C1(C=O)CN1;GZYGITWODMHYLM-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127541;MM127541;NCCC1CC1CO;ORWRAKBQPVNEBZ-UHFFFAOYSA-N;115.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127542;MM127542;CC=CC1=CC(=NO)CC1;HCGJYOALDDNFNE-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127543;MM127543;C=CC1C=CC(=NO)N1C;GRWCMBWDAHHSKG-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127544;MM127544;CCCC1CC1CF;ONAIFWNSHMBPGG-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127545;MM127545;NCCC1CC1CF;UANRNJNURUBHMW-UHFFFAOYSA-N;117.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127546;MM127546;CC1CC1CC=CC=NO;SYAAWBPPPCKCSH-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127547;MM127547;CCC1CC1CNC;RYRYZRWMHRSTRY-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127548;MM127548;CNCC1CC1CN;MXAUNCKINPSYDL-UHFFFAOYSA-N;114.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127549;MM127549;CNCC1CC1CO;DMAUKKKBUIKOIB-UHFFFAOYSA-N;115.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127550;MM127550;CNCC1CC1CF;IXGROOUBSXIRGI-UHFFFAOYSA-N;117.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127551;MM127551;CCC1CC1COC;UJXFTLRDFSTKMF-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127552;MM127552;COCC1CC1CN;IEJKVPGGOZZZNQ-UHFFFAOYSA-N;115.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127553;MM127553;COCC1CC1CO;AJVIBLHVONNAJA-UHFFFAOYSA-N;116.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127554;MM127554;COCC1CC1CF;NYIKJOUWNHIRHL-UHFFFAOYSA-N;118.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127555;MM127555;CCCC1CC1NC;HHJJDNUUUWRAOB-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127556;MM127556;CNC1CC1CCN;AMBZKWZWNSXKFD-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127557;MM127557;CNC1CC1CCO;KGYLSDJPYSCURP-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127558;MM127558;CNC1CC1CCF;XWLMFGSSQPSETJ-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127559;MM127559;CNCC1CC1NC;XGHCGXQAGAYRCY-UHFFFAOYSA-N;114.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127560;MM127560;CNC1CC1COC;YLPVCBBJMJOLQW-UHFFFAOYSA-N;115.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127561;MM127561;CCCC1CC1OC;UJPHZHDXNOBWBR-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127562;MM127562;COC1CC1CCN;OOVPREGKXBPQIU-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127563;MM127563;COC1CC1CCO;DJUKDDXRNDBFMZ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127564;MM127564;CNCC1CC1OC;AOVIFVFLJRXQDF-UHFFFAOYSA-N;115.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127565;MM127565;COCC1CC1OC;HZAYMWJKBAPRPT-UHFFFAOYSA-N;116.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127566;MM127566;CCNC1CC1CC;VUZZUAGWSQUUBX-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127567;MM127567;CCNC1CC1CN;HSZQLIFHQWKKCC-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127568;MM127568;CCNC1CC1CO;SSIKYBLELDXVLU-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127569;MM127569;CCNC1CC1CF;QKHNKCWDFSEPRK-UHFFFAOYSA-N;117.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127570;MM127570;CCNC1CC1NC;TXRXODCFWXOBGY-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127571;MM127571;CCNC1CC1OC;AWNQFQDTGOKNBS-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127572;MM127572;CCOC1CC1CC;IPUVSADJNOGMEJ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127573;MM127573;CCOC1CC1CN;SUOWOMYETIKRSG-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127574;MM127574;CCOC1CC1CO;FLNDKHCCQHYPRZ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127575;MM127575;CCOC1CC1CF;PJBYYNZEKUFLST-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127576;MM127576;CCOC1CC1NC;KJCGQTZPZACUTM-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127577;MM127577;CCOC1CC1OC;OTLGTZIVZZPALS-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127578;MM127578;CCC1NC1CCN;VQHCBRUVWPKHQV-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127579;MM127579;CCCC1NC1CN;XLBIGHKIVPYJBH-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127580;MM127580;NCCC1NC1CN;LURCMBDGFJOELS-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127581;MM127581;NCC1NC1CCO;UVTNBHBHTGWCJL-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127582;MM127582;NCC1NC1CCF;HTTPWPUUVRSKCI-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127583;MM127583;NCCC1NC1CO;ZGIKBMVFEJZBJM-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127584;MM127584;CCCC1NC1CF;CLPXWBPMSVWTIO-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127585;MM127585;NCCC1NC1CF;YVXFBUFAHYCSBG-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127586;MM127586;C=CC(=N)NC=O;BUUXSQBOQJMKQI-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127587;MM127587;CCC1NC1CNC;HMRYTKOPABLCSK-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127588;MM127588;CNCC1NC1CN;MTVLUDRRBJVJGT-UHFFFAOYSA-N;115.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127589;MM127589;CNCC1NC1CO;HTKHNESULHKSJM-UHFFFAOYSA-N;116.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127590;MM127590;CNCC1NC1CF;PXUJUCIFDHZQAA-UHFFFAOYSA-N;118.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127591;MM127591;COCC1NC1CN;FXTMMKAKWPMESJ-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127592;MM127592;CCN=CNC(N)=O;ASYXPZVQBRBAPO-UHFFFAOYSA-N;115.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127593;MM127593;COCC1NC1CF;AXZIYUBPLCXVQF-UHFFFAOYSA-N;119.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127594;MM127594;CCCC1OC1CC;ZNAFWUJVHGNGIF-UHFFFAOYSA-N;114.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127595;MM127595;CCC1OC1CCN;FRPCFCXLNQXXMM-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127596;MM127596;CCC1OC1CCO;STHLKDCSDYFCCW-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127597;MM127597;CCC1OC1CCF;JGBQNNKUAKGBDH-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127598;MM127598;CCCC1OC1CN;PYDGNGZZOXEYMJ-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127599;MM127599;NCCC1OC1CN;RSPZPTHUUMZQRM-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127600;MM127600;NCC1OC1CCO;GOEDNRJUBIPSRH-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127601;MM127601;NCC1OC1CCF;SCUQDWHJYHLBEG-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127602;MM127602;CCCC1OC1CO;IGRZECZSICIWJA-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127603;MM127603;NCCC1OC1CO;UBFINRFVOJTGBZ-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127604;MM127604;OCC1OC1CCF;QOVPFJLNUALDGJ-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127605;MM127605;CCCC1OC1CF;COGYIOAJTHVFOR-UHFFFAOYSA-N;118.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127606;MM127606;NCCC1OC1CF;AGEPFIHNSZZRBW-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127607;MM127607;OCCC1OC1CF;WCQYSENGUYDMAC-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127608;MM127608;FCCC1OC1CF;PWLOWUPFSYKVDC-UHFFFAOYSA-N;122.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127609;MM127609;CCC1OC1CNC;MJSQDJSMRYVCHI-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127610;MM127610;CNCC1OC1CN;LJAYCUQABQMZNT-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127611;MM127611;CNCC1OC1CO;IKFZBUUPDQWMCX-UHFFFAOYSA-N;117.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127612;MM127612;CNCC1OC1CF;SBNNKHAFQQQQIR-UHFFFAOYSA-N;119.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127613;MM127613;CCC1OC1COC;AHKNZJVVRGVNJY-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127614;MM127614;COCC1OC1CN;DDCOTRZHLZYNAP-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127615;MM127615;COCC1OC1CO;AKOJHNCUCMMJCX-UHFFFAOYSA-N;118.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127616;MM127616;CCN1CC1CCN;MRQBUKJKUDIRDF-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127617;MM127617;CCN1CC1CNC;KAAJUROCCZYIGT-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127618;MM127618;CCN1CC1COC;CXUQLPXIICFWAG-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127619;MM127619;CCC1CN1CCN;BFXQUAZYFRGSQZ-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127620;MM127620;CCC1CN1CCF;UMCZMEGEKNUTIY-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127621;MM127621;CCCN1CC1CN;ZYWGHYUGDZCSCP-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127622;MM127622;NCCN1CC1CN;CXSMWCHWLHBWON-UHFFFAOYSA-N;115.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127623;MM127623;NCC1CN1CCO;UHNVBZOXCGCHIX-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127624;MM127624;NCC1CN1CCF;YIFPRLCMXMLODS-UHFFFAOYSA-N;118.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127625;MM127625;NCCN1CC1CO;DWVYHTVAUNSTMR-UHFFFAOYSA-N;116.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127626;MM127626;CC(C)N=CNC(N)=O;MTSUZRHBNGLUJT-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127627;MM127627;C=C(C)C(=O)NC(C)=N;HFFKEEKZHHLQKF-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127628;MM127628;CCCN1CC1CF;IVLFDUWKKYZVCI-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127629;MM127629;NCCN1CC1CF;IACPKHVWURTEJC-UHFFFAOYSA-N;118.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127630;MM127630;C=CC(=O)NC(C)=NC;QCXHLCRKDUVEEQ-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127631;MM127631;C=CCC1CC1CC;YJCYDYOUPCHPGP-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127632;MM127632;CCC1CC1CC=O;AYVLFVDEWZZGHC-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127633;MM127633;CCC1CC1CC#N;LDMHCDODAQMGQF-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127634;MM127634;C=CCC1CC1CN;KSCPDLADXNATSD-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127635;MM127635;NC(=O)NC=NCCO;BBSHEXQITAJKAL-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127636;MM127636;N=CNC(=O)NCC=O;SWLIGJWQCHPUIY-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127637;MM127637;N#CCC1CC1CO;STILXCCCJCBPNG-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127638;MM127638;C=CCC1CC1CF;DASBEDHQXXOPEJ-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127639;MM127639;O=CCC1CC1CF;NOHWQPMDQWKBJP-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127640;MM127640;N#CCC1CC1CF;MZZWXPOILZHPSD-UHFFFAOYSA-N;113.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127641;MM127641;C=CCC1CC1NC;INUPNAFWBRDZRV-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127642;MM127642;CNC1CC1CC=O;QMRFFRYIFYLKBY-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127643;MM127643;CNC1CC1CC#N;YOJWKHSOVCWBBI-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127644;MM127644;C=CCC1CC1OC;INCWKBQKKHQEIM-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127645;MM127645;COC1CC1CC=O;JDQNRYYROJTHKC-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127646;MM127646;COC1CC1CC#N;PXGDWKGUKPPTBY-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127647;MM127647;CCC1CC1NC=N;DBNBVHNXGOPRJH-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127648;MM127648;CC(C=O)C(=N)NC=O;NMTVBFWUHGJVLU-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127649;MM127649;N=CNC1CC1CN;YDXPMAREFMHHSZ-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127650;MM127650;NCC1CC1NC=O;PYLOLZYAIKNGPE-UHFFFAOYSA-N;114.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127651;MM127651;N=CNC1CC1CO;SPPBDYOBLRUUGG-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127652;MM127652;O=CNC1CC1CO;NGINTPVWJOKLAP-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127653;MM127653;N=CNC1CC1CF;PWOWTTFCGHZQPH-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127654;MM127654;O=CNC1CC1CF;KULVIWMYNFLYFK-UHFFFAOYSA-N;117.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127655;MM127655;C=NNC1CC1CC;NJZVEFHBEJFFSG-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127656;MM127656;C=NNC1CC1CN;XOINFTKFESKIRO-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127657;MM127657;CC=C1C=CC(=NO)C1;VMLHDSLCGWBCSW-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127658;MM127658;C=NNC1CC1CF;KFCLMRKTLUTDPE-UHFFFAOYSA-N;116.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127659;MM127659;CNC1CC1NC=N;PESJPBBCLIAABO-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127660;MM127660;CNC1CC1NC=O;BOXDFFPNPNMZHT-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127661;MM127661;C=NNC1CC1NC;UDDQHRDVBINEMP-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127662;MM127662;COC1CC1NC=N;KLWBXBAZLRJIKA-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127663;MM127663;COC1CC1NC=O;YXKFHLZGJPJHDS-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127664;MM127664;C=NNC1CC1OC;XINNTYASRALVSM-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127665;MM127665;C=COC1CC1CC;DHXAXGTWHSXSBR-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127666;MM127666;CCC1CC1OC=O;ORXZOJVPVBOEJO-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127667;MM127667;C=COC1CC1CN;DFUQAPBQWSBDFA-UHFFFAOYSA-N;113.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127668;MM127668;NCC1CC1OC=O;SOMJRAFBRSJPFR-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127669;MM127669;C=COC1CC1CO;XAWNTDQFUAOFET-UHFFFAOYSA-N;114.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127670;MM127670;O=COC1CC1CO;MAEYJKCZWVWXIY-UHFFFAOYSA-N;116.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127671;MM127671;C=COC1CC1CF;JJGNTHSSDIGVOK-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127672;MM127672;O=COC1CC1CF;HUJJHCCFJWQNMN-UHFFFAOYSA-N;118.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127673;MM127673;C=NOC1CC1CC;BYCBNDIIUGIPFU-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127674;MM127674;C=NOC1CC1CN;KWVJRYNEGOMPDS-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127675;MM127675;N=C(CC=CF)NC(N)=O;NKZREAUTYORDEM-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127676;MM127676;C=COC1CC1NC;YDFBBZMHPGRSCG-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127677;MM127677;CNC1CC1OC=O;QDBXNNXKCKWMFU-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127678;MM127678;C=COC1CC1OC;XVNWPQZBLHXPDB-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127679;MM127679;COC1CC1OC=O;AZEYQVJSBGHTSO-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127680;MM127680;C=NOC1CC1OC;JGHCLIINWFVWCI-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127681;MM127681;CCC1NC1CC#N;GLLCQKPDEYKLSH-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127682;MM127682;C=CCC1NC1CN;RFQOFKZLMDHPKB-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127683;MM127683;C=CC(C)(C)C(=N)NC=O;KSTJVUAVVIHMOM-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127684;MM127684;C=CCC1NC1CF;GCRPRXMSNVJXRP-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127685;MM127685;CC(C=O)NC(=O)NC=N;NHPPAKYTEQXUCE-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127686;MM127686;N#CCC1NC1CF;RJWAIGHKXMTKPO-UHFFFAOYSA-N;114.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127687;MM127687;C=CCC1OC1CC;CDGAMAYFUHUJMC-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127688;MM127688;CCC1OC1CC=O;DZTSDSCHJAQJLM-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127689;MM127689;CCC1OC1CC#N;OVYBWPLLJASXMW-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127690;MM127690;C=CCC1OC1CN;MCOZXTQOEPFSOS-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127691;MM127691;C=CCC1OC1CO;YOVZDDKWHHGULM-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127692;MM127692;O=CCC1OC1CO;AXGQJTQQLWCMAT-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127693;MM127693;N#CCC1OC1CO;AOIITBXNKRBRGR-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127694;MM127694;C=CCC1OC1CF;CXUSTGZWHTYZSE-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127695;MM127695;C=CC(=O)NC(=N)CCO;LGDZVOXVNRATDT-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127696;MM127696;CCN1CC1CC#N;RCDRQXUCQTVBMR-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127697;MM127697;C=C(CN(N)C=NO)OC;QCYGMQJCABNVDB-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127698;MM127698;CCC1CN1CC#N;WBVYDDIEVARUGO-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127699;MM127699;C=CCN1CC1CN;QNQFGYOPWIEKTA-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127700;MM127700;NC(=O)NC=NCCC=O;TUMCUSUOZIRERE-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127701;MM127701;C#CCCN=CNC(N)=O;MHOXDLFZJBJENM-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127702;MM127702;CNNC(=O)CC#CC=O;KQNOQADASJCCNY-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127703;MM127703;C=CCN1CC1CF;LQIIVQRWKSWLOV-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127704;MM127704;CNNC(=O)C(O)C(C)O;ZYYPZERYFJCLPK-UHFFFAOYSA-N;148.16;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127705;MM127705;N#CCN1CC1CF;PPTVGBCJJGBNHN-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127706;MM127706;CCC1CN1NC=N;JXHBBDIFHPRZEX-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127707;MM127707;CCC1CN1NC=O;NEICXOSZWAEWNH-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127708;MM127708;N=CNN1CC1CN;NWFLAYVCFPIDHM-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127709;MM127709;NCC1CN1NC=O;JVPNRCFGVDOOPK-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127710;MM127710;N=CNN1CC1CO;WSRVLUKGHMFNIW-UHFFFAOYSA-N;115.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127711;MM127711;O=CNN1CC1CO;IXQOOMCLTDUTGR-UHFFFAOYSA-N;116.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127712;MM127712;N=CNN1CC1CF;SPHCTNHZZSSLAW-UHFFFAOYSA-N;117.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127713;MM127713;O=CNN1CC1CF;FDNRRAXNFOIUON-UHFFFAOYSA-N;118.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127714;MM127714;C#CCC1CC1CC;XHTGJEFRVVDJGN-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127715;MM127715;C#CCC1CC1CN;SEJUTDITXGMJDV-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127716;MM127716;C=CC(=C)C=CC(C)=NO;GJHDXEAMKBZQMQ-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127717;MM127717;C#CCC1CC1CF;CSXTVYCLLIHHMV-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127718;MM127718;C#CCC1CC1NC;JVJVJWBDECEARD-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127719;MM127719;C#CCC1CC1OC;WUDGQGIUNPAMSC-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127720;MM127720;C#CCC1NC1CN;ZXCQSYOKNRZIJE-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127721;MM127721;C#CCC1NC1CF;YDTSKYOZNXWBFD-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127722;MM127722;C#CCC1OC1CC;MFPCBXVOCHSWLP-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127723;MM127723;C#CCC1OC1CN;CDXZCMIUZYZZSD-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127724;MM127724;C#CCC1OC1CO;BARDOCYKJDNMSV-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127725;MM127725;C#CCC1OC1CF;IMDBUPRXFCUYDC-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127726;MM127726;C#CCN1CC1CC;WESJBRPQFROGAS-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127727;MM127727;C#CCN1CC1CN;HJYIRJOOFNNZMF-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127728;MM127728;C=C(CC)N(N)C(C)=NO;GOWSLOYWZQJTLS-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127729;MM127729;C=CC1CC1CCC;ZHNMSMXNZCDXHQ-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127730;MM127730;C=CC1CC1CCN;ZEFGRTUVYFTZTA-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127731;MM127731;N=C(NNC=O)C(=O)NN;AHKXVMCCQCVOBX-UHFFFAOYSA-N;145.12;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127732;MM127732;C=CC1CC1CCF;YHLIHSWWGBSLSV-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127733;MM127733;CCCC1CC1C=O;SZZUYHFHJSPLMT-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127734;MM127734;CCCC1CC1C#N;UPWYEYGVSZGYEF-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127735;MM127735;CCC(=NO)NNCCO;AXOHPQKGEBJNNT-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127736;MM127736;N#CC1CC1CCO;TWVJOZPINRGDCG-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127737;MM127737;O=CC1CC1CCF;UVFOBVJQAVKHQW-UHFFFAOYSA-N;116.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127738;MM127738;N#CC1CC1CCF;VLAZHIWYWAEWKK-UHFFFAOYSA-N;113.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127739;MM127739;C=CC1CC1CNC;OHFRFRXCZRIGCB-UHFFFAOYSA-N;111.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127740;MM127740;CNCC1CC1C=O;MLLJXDQUZGVREL-UHFFFAOYSA-N;113.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127741;MM127741;CNCC1CC1C#N;DDYMFPSOUJCZDE-UHFFFAOYSA-N;110.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127742;MM127742;C=CC1CC1COC;OJKKOHHKTOBKAC-UHFFFAOYSA-N;112.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127743;MM127743;COCC1CC1C=O;HCWHIETUCJNDET-UHFFFAOYSA-N;114.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127744;MM127744;COCC1CC1C#N;AXPJQNTYXWIDKG-UHFFFAOYSA-N;111.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127745;MM127745;C=CC1CC1NCC;SSADTFNMHAXZTB-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127746;MM127746;CCNC1CC1C=O;SYZWOTJXYBRBEH-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127747;MM127747;C=CC1CC1OCC;XZCOGEQTTXAQLI-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127748;MM127748;CCOC1CC1C=O;ZTLKLTNZTCGTEW-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127749;MM127749;CCOC1CC1C#N;LCEDMCSZTYORGN-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127750;MM127750;C=CC1NC1CCN;ZYKFJAZZVJVGSZ-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127751;MM127751;C=CC(CO)C(=O)NC=N;ZCMVKIGYRLWUGB-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127752;MM127752;CCCC1NC1C#N;CFGHIPZJTSDKJZ-UHFFFAOYSA-N;110.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127753;MM127753;N=CNC(=O)C1(CO)CC1;VNYMJOGSPUYWED-UHFFFAOYSA-N;142.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127754;MM127754;C=CC(CC1CC1C)=NO;RUFCWVBFGAZLMC-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127755;MM127755;C=CC1NC1CNC;CFSNSHBIVNVDGV-UHFFFAOYSA-N;112.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127756;MM127756;CNCC1NC1C=O;VNJDCWQJRMLDSN-UHFFFAOYSA-N;114.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127757;MM127757;CNCC1NC1C#N;DLFGYUMNVVXQHC-UHFFFAOYSA-N;111.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127758;MM127758;C=CC1NC1COC;ZTLRHBFMJLFECI-UHFFFAOYSA-N;113.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127759;MM127759;CN=CNC(N)=O;XNSCEBXIPFIQKE-UHFFFAOYSA-N;101.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127760;MM127760;COCC1NC1C#N;IRGDYSPOQPDRSY-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127761;MM127761;C=CC1OC1CCC;AZUCUXRUVVSRIG-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127762;MM127762;C=CC1OC1CCN;HBDPTOXBZLEFJI-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127763;MM127763;C=CC1OC1CCO;ODWVBZIOHSSNLF-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127764;MM127764;C=CC1OC1CCF;PPBYPZPOJRKQIY-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127765;MM127765;CCCC1OC1C=O;JHKVGIOBTDDGMJ-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127766;MM127766;CCCC1OC1C#N;UVJFSGSZNYNKDP-UHFFFAOYSA-N;111.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127767;MM127767;O=CC1OC1CCO;XDOMOGPUPMEWDD-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127768;MM127768;N#CC1OC1CCO;VRDZFRKQHQZEAN-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127769;MM127769;CNCC1OC1C=O;BSPMGPAHCQULLD-UHFFFAOYSA-N;115.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127770;MM127770;CNCC1OC1C#N;WYFRSVCDOKNVDC-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127771;MM127771;C=CC1OC1COC;FPBWDXPQGJBBIO-UHFFFAOYSA-N;114.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127772;MM127772;COCC1OC1C=O;ZZGRLDUCYRQKEC-UHFFFAOYSA-N;116.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127773;MM127773;COCC1OC1C#N;KEUAUNSZDMRUMG-UHFFFAOYSA-N;113.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127774;MM127774;CCCC1CN1C=N;CHVLIRDHHCSMQF-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127775;MM127775;N=CN1CC1CCN;USIDXKMMYKKQLB-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127776;MM127776;N=CN1CC1CCO;VKUWLAWWKJVLML-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127777;MM127777;N=CN1CC1CCF;BIXWFZQCFLQGMU-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127778;MM127778;CCCC1CN1C=O;XNDDQANUVJSKPE-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127779;MM127779;NCCC1CN1C=O;JLOQJXKHHWYFOE-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127780;MM127780;O=CN1CC1CCO;LBLACCACXJKJSS-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127781;MM127781;O=CN1CC1CCF;JIFRFWYKPPLFQI-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127782;MM127782;CNCC1CN1C=N;NSMVVXZIIVZGGQ-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127783;MM127783;CNCC1CN1C=O;PMCJDRBREJJFKP-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127784;MM127784;COCC1CN1C=N;QCNOBAWRFLTKQQ-UHFFFAOYSA-N;114.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127785;MM127785;COCC1CN1C=O;VESRVLMXWURJQH-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127786;MM127786;C=NN1CC1CCC;AFBXUJONYKQFRF-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127787;MM127787;C=NN1CC1CCN;RUZCTNDEHLNZOK-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127788;MM127788;ON=CNN1CC1;XVQKNBZVQRVFIU-UHFFFAOYSA-N;101.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127789;MM127789;C=NN1CC1CCF;JCZHIIASNRAVFG-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127790;MM127790;C=NN1CC1CNC;FXJMHMUBWDZECK-UHFFFAOYSA-N;113.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127791;MM127791;C=NN1CC1COC;DSRNQKSUKFCRHS-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127792;MM127792;C=CC1CN1CCN;ZDRPLUWFSKCSQS-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127793;MM127793;N=C1COC(NN)=N1;BXDUCSQLYKIFNU-UHFFFAOYSA-N;114.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127794;MM127794;C=CC1CN1CCF;ACRVUOUSMXGODE-UHFFFAOYSA-N;115.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127795;MM127795;Cc1ncn(O)c1N;HBMAGLYKCMYYGM-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127796;MM127796;CCCN1CC1C#N;MAVDYPIEZAPIEI-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127797;MM127797;C=C(C=NO)C(C)(C)C;BGPLDCNNQGHUAS-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127798;MM127798;N=C(CC(N)=O)NC=O;MVVHIJFSWQXEEJ-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127799;MM127799;N=CNC(=O)NCCO;NGXPUQBQIAFIEZ-UHFFFAOYSA-N;131.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127800;MM127800;N#CC1CN1CCF;FQARYLGMWSQLBY-UHFFFAOYSA-N;114.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127801;MM127801;C=CCC1CC1C=C;OHLBSEAAFHXBMW-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127802;MM127802;C=CC1CC1CC=O;IJPBHGWFUJCIQE-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127803;MM127803;C=CC1CC1CC#N;HCFRUWFBOVFKNT-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127804;MM127804;C=CCC1CC1C=O;LXSGXXSNWNMXDR-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127805;MM127805;C=CCC1CC1C#N;BRLHHQOHHGSTML-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127806;MM127806;O=CCC1CC1C=O;AWUZFRFJJCDQJX-UHFFFAOYSA-N;112.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127807;MM127807;N#CCC1CC1C=O;XHGQSHWWLBGYII-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127808;MM127808;N#CC1CC1CC=O;ZFHAKGUXFXSHSK-UHFFFAOYSA-N;109.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127809;MM127809;N#CCC1CC1C#N;KRVYQYPTOBCMNB-UHFFFAOYSA-N;106.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127810;MM127810;C=CC1CC1NC=N;CBPISPAVCIFQMH-UHFFFAOYSA-N;110.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127811;MM127811;C=CCCC(=C)C=NO;YRYFKANOTMHSJL-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127812;MM127812;N=CNC1CC1C=O;RAJQRHLJUOVDSG-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127813;MM127813;N#CC1CC1NC=N;AJPWTFPDFKUDIU-UHFFFAOYSA-N;109.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127814;MM127814;O=CNC1CC1C=O;WTZBDJVBIZQQFE-UHFFFAOYSA-N;113.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127815;MM127815;N#CC1CC1NC=O;XZKYFQIQHLVGIU-UHFFFAOYSA-N;110.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127816;MM127816;C=CC1CC1NN=C;DNZGCFMMCVKPHB-UHFFFAOYSA-N;110.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127817;MM127817;CC1=CCC(=NO)N1N;HDWCDGZWQNDXHA-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127818;MM127818;CC1=C(C)C(=NO)CN1;OXIGLJWPNFSLBC-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127819;MM127819;C=COC1CC1C=C;PSFDGTPUEFDCBN-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127820;MM127820;C=CC1CC1OC=O;WCDBQCFOHUYWDN-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127821;MM127821;C=COC1CC1C=O;NHHWRNRGSDTTNT-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127822;MM127822;C=COC1CC1C#N;IWTVZKZRVPLHHH-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127823;MM127823;O=COC1CC1C=O;MBNCGGZASPQKRO-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127824;MM127824;N#CC1CC1OC=O;KIWFRRHMQFTNJL-UHFFFAOYSA-N;111.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127825;MM127825;C=CC1CC1ON=C;KACJRCKJBUTBAR-UHFFFAOYSA-N;111.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127826;MM127826;NNC(=NO)N(N)C=O;NRIRGTDGZYMDNW-UHFFFAOYSA-N;133.11;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127827;MM127827;C=NOC1CC1C#N;VARCVEXCPRWOKT-UHFFFAOYSA-N;110.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127828;MM127828;CCC1CC(=NO)NN1;PQVWPBRTAGWCJA-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127829;MM127829;C=CC1NC1CC#N;DZIXOOYJDYDNJU-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127830;MM127830;CN=CNC(=O)C1CC1;XIVMZUIMIOXJLO-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127831;MM127831;C=CCC1NC1C#N;KEICKMCXXZTPSB-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127832;MM127832;CC(=N)NC(=O)C=CC=O;IWJVVBVPMYSTIN-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127833;MM127833;CC(=NCCF)NC(N)=O;OFDDOQXHIHQYIR-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127834;MM127834;C=C(F)C(F)CC(=O)NN;FAQOQTPYRKILCT-UHFFFAOYSA-N;150.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127835;MM127835;N#CCC1NC1C#N;PJQJPEWSIHJUBZ-UHFFFAOYSA-N;107.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127836;MM127836;C=CCC1OC1C=C;WCVBNORSDYRYFE-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127837;MM127837;C=CC1OC1CC=O;OAOLCYXKFJCRND-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127838;MM127838;C=CC1OC1CC#N;IDKPTVFMVPJTMM-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127839;MM127839;C=CCC1OC1C=O;DDUXFBHFPRHWBA-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127840;MM127840;C=CCC1OC1C#N;ICJMEJDSWOQWSP-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127841;MM127841;O=CCC1OC1C=O;OPFMTNSLCPYSAD-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127842;MM127842;N#CCC1OC1C=O;QKBREGPCWZNPTI-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127843;MM127843;N#CC1OC1CC=O;NLCOOBQTADORPF-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127844;MM127844;N#CCC1OC1C#N;SYEGFJJLDMVICK-UHFFFAOYSA-N;108.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127845;MM127845;C=CCC1CN1C=N;LDLURHIIODDHHV-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127846;MM127846;N=CN1CC1CC=O;LTRQWRNASIYUKV-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127847;MM127847;N#CCC1CN1C=N;KMRYAUSQQBICAX-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127848;MM127848;C=CCC1CN1C=O;VWMGDCJVZUQXHT-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127849;MM127849;CC(O)CNC(=O)NC=N;HAGGJSCJUSZMPD-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127850;MM127850;N#CCC1CN1C=O;VQGURXBPFACIKE-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127851;MM127851;C=CCC1CN1N=C;VKBBGMFUMZFKKR-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127852;MM127852;CC(CO)NC(=O)NC=N;MJRCEKKJAIHGQK-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127853;MM127853;C=NN1CC1CC#N;ZMJHWALPOUTMJM-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127854;MM127854;C=CCN1CC1C=C;FLKYWYOPKGEREJ-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127855;MM127855;CNC(=O)CC(=N)NC=O;LZQOIALCMXKMCO-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127856;MM127856;C=CC1CN1CC#N;XHCLNJIZBVWIQS-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127857;MM127857;C=C(CO)CN(N)C=NO;MTFBDPWFEVWOPV-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127858;MM127858;C=CCN1CC1C#N;BJLDYFPRUVXRSV-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127859;MM127859;CC=CC(=O)NC(=N)CC;GMRNTFFQVYEILM-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127860;MM127860;CC1(NC(=O)NC=N)CC1;GKVRIKPLJNBLQH-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127861;MM127861;N#CCN1CC1C#N;IBZWVHQNWOOEJH-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127862;MM127862;C=CC1CN1NC=N;UXMQIECCTQMAIZ-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127863;MM127863;C=CC1CN1NC=O;SIWDYECOGSXGDR-UHFFFAOYSA-N;112.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127864;MM127864;N=CNN1CC1C=O;LXGVBLSJQXXNQN-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127865;MM127865;N#CC1CN1NC=N;JWNYJUYEIUTZJC-UHFFFAOYSA-N;110.12;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127866;MM127866;O=CNN1CC1C=O;RQKOAKYPUIPANA-UHFFFAOYSA-N;114.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127867;MM127867;N#CC1CN1NC=O;JHFWVWOCUHVCNJ-UHFFFAOYSA-N;111.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127868;MM127868;C#CCC1CC1C=C;NMKFXXYEZMYEPW-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127869;MM127869;C#CCC1CC1C=O;YMHWIBYTWFKPPL-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127870;MM127870;C#CCC1CC1C#N;WGSKMBYLZREBST-UHFFFAOYSA-N;105.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127871;MM127871;CN(O)C=NC=NNC=O;UQCLPBKDJHPDHM-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127872;MM127872;C#CCC1NC1C#N;PUVSHEYYLKUVMN-UHFFFAOYSA-N;106.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127873;MM127873;C#CCC1OC1C=C;NEEHXZICRUOQFA-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127874;MM127874;C#CCC1OC1C=O;VOFBPMSORXIJQA-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127875;MM127875;C#CCC1OC1C#N;KSIRQKQSJZQBSN-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127876;MM127876;C#CCC1CN1C=N;RVLWPPXSZVXQFZ-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127877;MM127877;C#CCC1CN1C=O;MGSNAUYCECMBSD-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127878;MM127878;C#CCC1CN1N=C;BYIDPKSZVUCNJJ-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127879;MM127879;C#CCN1CC1C=C;HEDXSIBADHFMFA-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127880;MM127880;COCCNC(=O)NC=N;UWRJSKFUDDHJMC-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127881;MM127881;C#CCN1CC1C#N;PGGYBMMLXSFYRM-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127882;MM127882;C#CC1CC1CCC;KCENEAQRNPJCOX-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127883;MM127883;C#CC1CC1CCN;LFVDPUPIYHJJED-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127884;MM127884;CONC(=O)NCC=NN;YJMOMXVRMUMZAY-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127885;MM127885;C#CC1CC1CCF;AKJCQYDLQJJVRC-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127886;MM127886;C#CC1CC1CNC;FKHJPVZSCKCHIE-UHFFFAOYSA-N;109.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127887;MM127887;C#CC1CC1COC;FWAQAEQJRWGIIT-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127888;MM127888;C#CC1CC1NCC;WPEGJLYMGXYHAA-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127889;MM127889;C#CC1CC1OCC;XEBDMQFQLLLVBO-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127890;MM127890;C#CC1NC1CCC;BLKGYEKXBDBJER-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127891;MM127891;C#CC1NC1CCN;LZHREFWVZHFKLI-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127892;MM127892;N=CNC(=O)NCC=NN;PRZZEXXMKQWYFE-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127893;MM127893;C#CC1NC1CNC;CBKMYSCWLASHGV-UHFFFAOYSA-N;110.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127894;MM127894;C#CC1NC1COC;AWBJYYUNBWBHKB-UHFFFAOYSA-N;111.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127895;MM127895;C#CC1OC1CCC;GOPVCRYBWKGROA-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127896;MM127896;C#CC1OC1CCN;MMZFSAPEYLZQDI-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127897;MM127897;C#CC1OC1CCO;FJWNDNPIQOKMGY-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127898;MM127898;C#CC1OC1CNC;OAENTZUTKXZHBC-UHFFFAOYSA-N;111.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127899;MM127899;C#CC1OC1COC;UQDPAMZSGFBERK-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127900;MM127900;C#CC1CN1CCC;RLEDVINIMLWXGB-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127901;MM127901;C#CC1CN1CCN;LNIXTCXEXIXCMQ-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127902;MM127902;COC=CCN(N)C=NO;KXWMKELRWFTAAP-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127903;MM127903;C#CC1CC1CC=C;OZJNUJXPFMZOEV-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127904;MM127904;C#CC1CC1CC=O;RYEIMBATIQCHDQ-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127905;MM127905;C#CC1CC1CC#N;JERKGGLRNLGCIR-UHFFFAOYSA-N;105.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127906;MM127906;C#CC1CC1NC=N;CELORHSAAJNCFI-UHFFFAOYSA-N;108.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127907;MM127907;C#CC1CC1NC=O;HJZYIDFSUDABGR-UHFFFAOYSA-N;109.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127908;MM127908;C#CC1CC1NN=C;PIOYYBSEKIVHLP-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127909;MM127909;C#CC1CC1OC=C;WLZKDDXWVPPRQO-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127910;MM127910;C#CC1CC1OC=O;BMJGKNJDOUKJLR-UHFFFAOYSA-N;110.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127911;MM127911;C#CC1CC1ON=C;RBISPBHVGDZGSU-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127912;MM127912;C#CC1NC1CC=C;VNQKKXXLGDESSW-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127913;MM127913;CCCCC=C(C)C=NO;DUVYFPRUOHYYPT-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127914;MM127914;C#CC1NC1CC#N;RCFLTCKYKQMXCQ-UHFFFAOYSA-N;106.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127915;MM127915;C#CC1OC1CC=C;UREPLJALMRATSP-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127916;MM127916;C#CC1OC1CC=O;ZRYATNRMPCNGRG-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127917;MM127917;C#CC1OC1CC#N;GJVPGCSWTJFZQP-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127918;MM127918;C#CC1CN1CC=C;GCYGLGAVPUPOLY-UHFFFAOYSA-N;107.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127919;MM127919;NC(=O)C(N)C(=O)NC=O;JGYFGSZPRIXUQG-UHFFFAOYSA-N;145.12;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127920;MM127920;C#CC1CN1CC#N;ADSXULXEJOPHSZ-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127921;MM127921;C#CC1CN1NC=N;HOIIHWSGSHSGOG-UHFFFAOYSA-N;109.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127922;MM127922;C#CC1CN1NC=O;CKVYQWSFQBXJMM-UHFFFAOYSA-N;110.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127923;MM127923;C#CCC1CC1C#C;SVXMUMJOWQIVAD-UHFFFAOYSA-N;104.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127924;MM127924;C#CCC1NC1C#C;UXGPLTFHAMTIPL-UHFFFAOYSA-N;105.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127925;MM127925;C#CCC1OC1C#C;BZLMCJUQUDDIGB-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127926;MM127926;C#CCN1CC1C#C;JMCZGSVSJADWAL-UHFFFAOYSA-N;105.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127927;MM127927;CC=CC1CC1CC;COYVIVSLYXRYOR-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127928;MM127928;CCC1CC1C=CF;WJVTWCZQEIENLJ-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127929;MM127929;CC=CC1CC1CN;HSKORUBMFDGZCH-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127930;MM127930;NCC1CC1C=CF;WRFLXFRCGSAREJ-UHFFFAOYSA-N;115.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127931;MM127931;CC1CC1NC(=O)NC=N;JRNOWPQRWJAAIL-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127932;MM127932;CCNc1cc(C)c(O)[nH]1;SIYGPILJWNMNGM-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127933;MM127933;CC=CC1CC1CF;VMDLSOBVKQJZPG-UHFFFAOYSA-N;114.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127934;MM127934;FC=CC1CC1CF;GVEITVAYGBPLEN-UHFFFAOYSA-N;118.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127935;MM127935;CCC1CC1C=NN;XXLYRNBMCHFNHG-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127936;MM127936;CCC1CC1C=NO;DOMCEWUORIYTAV-UHFFFAOYSA-N;113.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127937;MM127937;NCC1CC1C=NO;GGKBRIFOGSOUSY-UHFFFAOYSA-N;114.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127938;MM127938;CC(C=O)=CNC(C)=NO;KMMNXXAJUDGJPI-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127939;MM127939;OCC1CC1C=NO;IROYDUNQOUUKEZ-UHFFFAOYSA-N;115.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127940;MM127940;NN=CC1CC1CF;TZKOTHAWSLBUNG-UHFFFAOYSA-N;116.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127941;MM127941;CC=CC1CC1NC;UHHOUJYNIVKFBA-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127942;MM127942;CNC1CC1C=CF;AEEOWBPTTIYKJK-UHFFFAOYSA-N;115.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127943;MM127943;CNC1CC1C=NN;PSEYICYQPDRAKJ-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127944;MM127944;CNC1CC1C=NO;MKFWLJOSKPTEHG-UHFFFAOYSA-N;114.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127945;MM127945;CC=CC1CC1OC;NYKVILMWKVVXEW-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127946;MM127946;COC1CC1C=CF;DOIUYJNUXSXXBI-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127947;MM127947;COC1CC1C=NO;PAWLDUNVZBXFFR-UHFFFAOYSA-N;115.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127948;MM127948;CC=CC1NC1CN;PSRKGENCLRBWDT-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127949;MM127949;NCC1NC1C=CF;YDTHKZDCQDREGU-UHFFFAOYSA-N;116.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127950;MM127950;CCC(C)C(=O)NC=NC;FBRVJASQUCCQIU-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127951;MM127951;C=CC1(F)CC1NC=NO;DTDPGPMRGGWUGL-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127952;MM127952;CC=CC1NC1CF;GDAPRYYOTGFBIK-UHFFFAOYSA-N;115.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127953;MM127953;FC=CC1NC1CF;WBZPOWHAWCFZLW-UHFFFAOYSA-N;119.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127954;MM127954;CCC1NC1C=NN;TZWGKPCNHIGHOR-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127955;MM127955;C=CC(CO)C(=N)NC=O;ZCMVZRSPGRJHSF-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127956;MM127956;NCC1NC1C=NO;QSRSCCDJVNQQPP-UHFFFAOYSA-N;115.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127957;MM127957;CNC(=NO)OC1CC1C;PWQPBIFOQGXYOZ-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127958;MM127958;OCC1NC1C=NO;JUPHAJYFNQSJNX-UHFFFAOYSA-N;116.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127959;MM127959;NN=CC1NC1CF;ODEAIMDIBTVCPT-UHFFFAOYSA-N;117.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127960;MM127960;ON=CC1NC1CF;ZMFWKBCEHNRBSX-UHFFFAOYSA-N;118.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127961;MM127961;CC=CC1OC1CC;AEBAAQPEKXQNAJ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127962;MM127962;CCC1OC1C=CF;LAZPNCFDEVIHLI-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127963;MM127963;CC=CC1OC1CN;JOWPNCHXRMKHBQ-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127964;MM127964;NCC1OC1C=CF;USBNNLVMUPKHPF-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127965;MM127965;CC=CC1OC1CO;CGTFPQYOWJCCCO-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127966;MM127966;OCC1OC1C=CF;LADYPZNJNZJAMY-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127967;MM127967;CC=CC1OC1CF;FZNAROOJNMNBRG-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127968;MM127968;FC=CC1OC1CF;GULIBRFKKDAPDF-UHFFFAOYSA-N;120.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127969;MM127969;CCC1OC1C=NN;IZJDLMKKOUTSDT-UHFFFAOYSA-N;114.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127970;MM127970;C=C1CC(=NO)C=C1CC;QFMSJNDSEJYBQL-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127971;MM127971;NN=CC1OC1CF;NQSZVVXUFRWSLZ-UHFFFAOYSA-N;118.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127972;MM127972;CC=CC1CN1CC;JRTGXFNJRHPHKM-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127973;MM127973;CCN1CC1C=CF;SALVOVOQQBNERW-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127974;MM127974;CCN1CC1C=NN;HDDMGQLIZSCSLG-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127975;MM127975;CCN1CC1C=NO;OBOQBKRKIAYTNC-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127976;MM127976;CCC1CN1C=NC;CHPKLJWWXPAFRD-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127977;MM127977;CC=C1C=CC(=NO)C1C;RBKDVBUWMOCYLF-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127978;MM127978;CN=CN1CC1CN;YQSFRHKMOHPERF-UHFFFAOYSA-N;113.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127979;MM127979;CN=CN1CC1CO;KMBMVLVUPVSSOO-UHFFFAOYSA-N;114.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127980;MM127980;CC(C)=CC=NO;JDYQJSJLIJQMCW-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127981;MM127981;CN=CN1CC1CF;AMWUSRMKUWSQND-UHFFFAOYSA-N;116.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127982;MM127982;ON=CN1CC1CF;KXPOEIKUOPDANP-UHFFFAOYSA-N;118.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127983;MM127983;CC=NN1CC1CC;RGQPSFFCMQSZQN-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127984;MM127984;CC=NN1CC1CN;PWCLSYCQIGHFIU-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127985;MM127985;C=C(C=NO)CC;BFIKYTUABHTQET-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127986;MM127986;CC=NN1CC1CF;BCPMFTGFUZBNIM-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127987;MM127987;C=CC1CC1C=CC;PCTQXTPEUWPMPH-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127988;MM127988;C=CC1CC1C=CF;KQYGESTWNNAIDR-UHFFFAOYSA-N;112.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127989;MM127989;CC=CC1CC1C=O;ICXGDZAEANPRKK-UHFFFAOYSA-N;110.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127990;MM127990;CC=CC1CC1C#N;PYQVZXKIZAECMT-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127991;MM127991;O=CC1CC1C=CF;YAMMPDLBUCJPLY-UHFFFAOYSA-N;114.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127992;MM127992;N#CC1CC1C=CF;SEUUUBSHYQMLAZ-UHFFFAOYSA-N;111.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127993;MM127993;C=CC1CC1C=NN;HOFPNPGQBZUIMJ-UHFFFAOYSA-N;110.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127994;MM127994;C=CC1CC1C=NO;ZQXAWEMFXKXUMB-UHFFFAOYSA-N;111.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127995;MM127995;O=CC1CC1C=NO;SQPMNSBWPIPYHX-UHFFFAOYSA-N;113.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127996;MM127996;N#CC1CC1C=NO;JXFXYKQNENUDOY-UHFFFAOYSA-N;110.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127997;MM127997;C=CC1NC1C=CC;BBLOZHCNYZPGAI-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127998;MM127998;C=CC1NC1C=CF;OPGRMUARHHHLTJ-UHFFFAOYSA-N;113.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM127999;MM127999;ON=C1C=CCC1;YIDCWHAQPYBNHT-UHFFFAOYSA-N;97.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128000;MM128000;CC=CC1NC1C#N;QRJJMULLEKVTJJ-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128001;MM128001;ON=C1C=CCN1;JMPRHWFRCXDSPC-UHFFFAOYSA-N;98.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128002;MM128002;N#CC1NC1C=CF;UXLXTRHSVHESGC-UHFFFAOYSA-N;112.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128003;MM128003;C=CC1NC1C=NN;JKKYPYRLVPUDAK-UHFFFAOYSA-N;111.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128004;MM128004;C=CC1NC1C=NO;LHQZIVRIEAYVIE-UHFFFAOYSA-N;112.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128005;MM128005;O=CC1NC1C=NO;QJJJZCLSLRLTLS-UHFFFAOYSA-N;114.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128006;MM128006;C=CC1OC1C=CC;GOZZHOQMTJQWPF-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128007;MM128007;C=CC1OC1C=CF;NPJLGWFUYQGWOW-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128008;MM128008;CC=CC1OC1C=O;PJVDDWMNRDCQGP-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128009;MM128009;CC=CC1OC1C#N;IRLRQBDLXFBJEB-UHFFFAOYSA-N;109.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128010;MM128010;O=CC1OC1C=CF;JKBHQMWVVWWEBX-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128011;MM128011;N#CC1OC1C=CF;FMKCVMCGUFMVJP-UHFFFAOYSA-N;113.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128012;MM128012;C=CC1OC1C=NN;LUJNPRUQXSLLME-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128013;MM128013;Cc1c(O)n[nH]c1CO;NZWMXXOYHVZJFZ-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128014;MM128014;CC=CC1CN1C=N;PLEYVAQVDGLHHX-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128015;MM128015;N=CN1CC1C=CF;KYZUORWMWZTMAD-UHFFFAOYSA-N;114.12;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128016;MM128016;CC=CC1CN1C=O;FPNRJVHWPHYHIN-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128017;MM128017;O=CN1CC1C=CF;RWUVOQVJCHRPBX-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128018;MM128018;N=CN1CC1C=NN;KIJWHGDQOJRETP-UHFFFAOYSA-N;112.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128019;MM128019;NN=CC1CN1C=O;KMYNFCPGMYVPAI-UHFFFAOYSA-N;113.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128020;MM128020;O=CN1CC1C=NO;HRVKTPXEKLNOSB-UHFFFAOYSA-N;114.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128021;MM128021;C=NN1CC1C=CC;OHTORLGYQJHBHJ-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128022;MM128022;C=NN1CC1C=CF;QOHNQTCSLQINHG-UHFFFAOYSA-N;114.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128023;MM128023;C=NN1CC1C=NN;HTPIYABBVSLLKL-UHFFFAOYSA-N;112.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128024;MM128024;C=NN1CC1C=NO;QQHKUOFWXPBGDV-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128025;MM128025;C=CC1CN1C=NC;GPCFSKSUUVSGGU-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128026;MM128026;C=C(C=NO)C(C)C;MHNLMKPOIYVZRB-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128027;MM128027;CN=CN1CC1C=O;FZKRSJXQMSSWFI-UHFFFAOYSA-N;112.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128028;MM128028;O=CC1CN1C=NO;FFJZPBBRIHCGAY-UHFFFAOYSA-N;114.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128029;MM128029;N#CC1CN1C=NO;BOMZZPXFKJUEJP-UHFFFAOYSA-N;111.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128030;MM128030;C=CC1CN1N=CC;PSCWELGEKVTTDD-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128031;MM128031;NC(CCC=O)=NO;NSHQIXUGEIWOPA-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128032;MM128032;CC=NN1CC1C#N;QGTNQJMOZZOOJY-UHFFFAOYSA-N;109.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128033;MM128033;C#CC1CC1C=CC;BKMFKOANJNGQPD-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128034;MM128034;C#CC1CC1C=CF;FXHZAXUIBMFMBQ-UHFFFAOYSA-N;110.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128035;MM128035;C#CC1CC1C=NN;YPHGJTYIIALNLZ-UHFFFAOYSA-N;108.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128036;MM128036;C#CC1CC1C=NO;JXIQUFKPGWWRCX-UHFFFAOYSA-N;109.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128037;MM128037;C#CC1NC1C=CC;DKELMMHXRLKXKN-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128038;MM128038;C#CC1NC1C=CF;QMQSZQSFULPCNL-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128039;MM128039;C#CC1NC1C=NN;ULRWHIAHSVYSTM-UHFFFAOYSA-N;109.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128040;MM128040;C#CC1NC1C=NO;RWGGFCFDKIBJBH-UHFFFAOYSA-N;110.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128041;MM128041;C#CC1OC1C=CC;DPBHJZGGOBBLLP-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128042;MM128042;C#CC1OC1C=CF;VNTGIRZJOIWKDH-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128043;MM128043;C#CC1OC1C=NN;RRDACZRLOZFYJR-UHFFFAOYSA-N;110.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128044;MM128044;C=CC(C)=CC(C)=NO;XRGDAQAHIMDZMT-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128045;MM128045;C#CC1CN1C=NO;ZHCSAYNFDVXALE-UHFFFAOYSA-N;110.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128046;MM128046;C#CC1CN1N=CC;VJFMOIXSYQYUKV-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128047;MM128047;CC#CC1CC1CC;SZZZNPIICQTGQT-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128048;MM128048;CC#CC1CC1CN;UNVBYBNZWILSKX-UHFFFAOYSA-N;109.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128049;MM128049;CN(C=NO)NCCO;LEZVLCMTDRBDPP-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128050;MM128050;CC#CC1CC1CF;AKZRCQBWSIUBRK-UHFFFAOYSA-N;112.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128051;MM128051;CC#CC1CC1NC;HWWGOHJHZUWXJF-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128052;MM128052;CC#CC1CC1OC;CXBIMNUMPKJWLT-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128053;MM128053;CC#CC1NC1CC;DVGSDHHFAJLRPB-UHFFFAOYSA-N;109.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128054;MM128054;CC#CC1NC1CN;FMOJSZPKLUJNCB-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128055;MM128055;COC(=O)C(O)C=NN;KECTUOVHNPPPFA-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128056;MM128056;CC#CC1NC1CF;ZQENMBQZEJWGRC-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128057;MM128057;CC#CC1OC1CC;BUXOXXFTIRUVKL-UHFFFAOYSA-N;110.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128058;MM128058;CC#CC1OC1CN;UUXVZXCXNIBGDY-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128059;MM128059;CC#CC1OC1CO;RUVRGHYZKPYACS-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128060;MM128060;CC#CC1OC1CF;IFLBEIMMCRISQM-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128061;MM128061;CC#CC1CN1CC;QKXMEHNNMZHOFZ-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128062;MM128062;C=CC1CC1C#CC;GMLCEDSJYQIHAD-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128063;MM128063;CC#CC1CC1C=O;NZFAZJSCTZFQFV-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128064;MM128064;CC#CC1CC1C#N;WHFKBXUAMPWUEA-UHFFFAOYSA-N;105.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128065;MM128065;C=CC1NC1C#CC;CVOBNOXFBLCICV-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128066;MM128066;COC1=NN(C)C(=N)C1;RBXSSOARGSBJRM-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128067;MM128067;CC#CC1NC1C#N;OUKABZSKPVWOHG-UHFFFAOYSA-N;106.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128068;MM128068;C=CC1OC1C#CC;QONALYGJMMAJMO-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128069;MM128069;CC#CC1OC1C=O;HZGFLOOSDYFPFU-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128070;MM128070;CC#CC1OC1C#N;OHRGUEWFFCRCEL-UHFFFAOYSA-N;107.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128071;MM128071;CC#CC1CN1C=N;DMIHXNFSVIIHFT-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128072;MM128072;CC#CC1CN1C=O;XPLTXZAOQOJFLR-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128073;MM128073;C=NN1CC1C#CC;WESKTRJXCBDSLA-UHFFFAOYSA-N;108.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128074;MM128074;C#CC1CC1C#CC;QSFIKMQMBMPILS-UHFFFAOYSA-N;104.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128075;MM128075;C#CC1NC1C#CC;PZNDYUXUZWQVEJ-UHFFFAOYSA-N;105.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128076;MM128076;C#CC1OC1C#CC;HWWIHQHXSSRTFV-UHFFFAOYSA-N;106.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128077;MM128077;CCC1CCOC1C;QUCMKSGUJSMHIQ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128078;MM128078;C=CC1CCCC1C;YOUVBCFTGFOLAE-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128079;MM128079;CC1CCCC1C#N;ZJIHBZDKEFKVBZ-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128080;MM128080;C=CC1CNCC1N;WYJZYBCXZFUTTQ-UHFFFAOYSA-N;112.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128081;MM128081;CC1NCCC1C#N;VXZDDEQVBBEUOC-UHFFFAOYSA-N;110.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128082;MM128082;C=CC1CCOC1C;AMLBXPPKXVXZFW-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128083;MM128083;CC1OCCC1C#N;BONJSTPZAYYRDZ-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128084;MM128084;C=CC1CCCN1C;HNECHEBEGNWYCN-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128085;MM128085;C=NN1CCCC1C;HDCVNNXXJHBJKW-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128086;MM128086;C#CC1CCCC1C;ZYNGYCXWCNNTBM-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128087;MM128087;C#CC1CCCC1N;MNQGEUVYWKPGFN-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128088;MM128088;C#CC1CNCC1C;ARGZWXOHFNNETQ-UHFFFAOYSA-N;109.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128089;MM128089;C#CC1CNCC1N;ZSLOZULLXJHUBN-UHFFFAOYSA-N;110.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128090;MM128090;C#CC1COCC1C;UMPDNIHQKDSPRF-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128091;MM128091;C#CC1CCNC1C;NQTWSCBBJOACSM-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128092;MM128092;C#CC1CCOC1C;QUWJGMUUNHBTRR-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128093;MM128093;C#CC1NCCC1C;WUMADRVXIDOTMN-UHFFFAOYSA-N;109.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128094;MM128094;C#CC1NCCC1N;VWACYKMNCQHNKD-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128095;MM128095;C#CC1OCCC1C;UMDNLCAWZUAELC-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128096;MM128096;C#CC1CCCN1C;HRYWNBGSIQAWKD-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128097;MM128097;C=CN1CCNC1=N;XYDCWWOTBMRAGL-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128098;MM128098;C=C1OCCN1C=N;GRTJJTHLTDEYMC-UHFFFAOYSA-N;112.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128099;MM128099;C#CC1CCCC1=C;ZZTZTDQLYYTVNK-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128100;MM128100;C#CC1CNCC1=C;LQBBDYCLFUPYRG-UHFFFAOYSA-N;107.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128101;MM128101;C#CC1CCNC1=N;MOIKGINFBZJGIJ-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128102;MM128102;C#CC1CNNC1=N;VJLJAQPNDJAYOQ-UHFFFAOYSA-N;109.13;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128103;MM128103;C#CC1CCOC1=C;UHDGFVQAGUIWIJ-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128104;MM128104;C#CC1NCCC1=C;VBFSYKWZFSGQQL-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128105;MM128105;CC=C1CCCC1C;LVIRXIFRSKNRMQ-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128106;MM128106;CC=C1CCCC1N;BNLUFGTWUOTVFN-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128107;MM128107;CC=C1CNCC1C;XRCRCEVTBITZPX-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128108;MM128108;CC=C1CNCC1N;GXADVOFYLFKPGZ-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128109;MM128109;CC=C1COCC1C;PZARLPUOFNLFGL-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128110;MM128110;CC=C1COCC1N;CWLJSQVXTJIGDP-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128111;MM128111;CC=C1CCNC1C;FGXASZDCLAFEGM-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128112;MM128112;CC=C1CCOC1C;AVNWIIRGPAEIHS-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128113;MM128113;C=C1COCC1=CC;BVMXOLKYHZDXPB-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128114;MM128114;CC=C1CCNC1=N;ZFVKEWWZVQWJIM-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128115;MM128115;CC=C1CNNC1=N;XPZAKXMFUUTZBV-UHFFFAOYSA-N;111.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128116;MM128116;CC=C1CNNC1=O;KUQXWEPCERSXAN-UHFFFAOYSA-N;112.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128117;MM128117;CC=C1CONC1=N;DQDRGINKHWLTQS-UHFFFAOYSA-N;112.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128118;MM128118;C=C1OCCC1=CC;RYUDNZDIVDYCOU-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128119;MM128119;C=Cc1n[nH]c(CO)c1O;UMNJRHBVOPGQNJ-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128120;MM128120;Cc1c(O)nn(N)c1C;SJQDQVKJKNGJQJ-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128121;MM128121;N=c1n(O)c(=O)n(N)n1O;UUOZXECAIRADIA-UHFFFAOYSA-N;147.09;-2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128122;MM128122;Nn1c(O)cn(O)c1=O;UPOVMSPQUROICC-UHFFFAOYSA-N;131.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128123;MM128123;CCC1CC=CC1C;JUFZJZPEXVPOCZ-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128124;MM128124;CC1C=CCC1CN;RJFLIIHBDVCSEG-UHFFFAOYSA-N;111.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128125;MM128125;CCC1CC=CC1N;SEUDNVDQONXYKN-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128126;MM128126;CNC1CC=CC1C;ILXUEAXWCRFNMQ-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128127;MM128127;C=CC1CC=CC1C;RZKCUTPHKMIHKP-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128128;MM128128;CC1C=CCC1C#N;OCFMOYDGVZHRGK-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128129;MM128129;C=CC1CC=CC1N;JCUYRMRMOLBHSM-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128130;MM128130;N#CC1CC=CC1O;HQPBMYNGZYOSSI-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128131;MM128131;C=CC1NC=NC1C;CLXWFCTWLCQONN-UHFFFAOYSA-N;110.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128132;MM128132;CC1C=CCN1C=N;SDJLWTBNXXHWPV-UHFFFAOYSA-N;110.16;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128133;MM128133;C=NN1CC=CC1C;SCBVPGHBPNTISO-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128134;MM128134;C#CC1CC=CC1C;WDMKXTJHRHJSKZ-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128135;MM128135;C#CC1CC=CC1N;INNKHZQKUQXXCV-UHFFFAOYSA-N;107.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128136;MM128136;CNc1cc(C)c(O)[nH]1;IJNLFAWDBSKFGM-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128137;MM128137;C#CC1CC=CC1F;KSIMBHKSRAPDEI-UHFFFAOYSA-N;110.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128138;MM128138;CCCC1CC(=O)NN1;KUMWPKRIWUVMHV-UHFFFAOYSA-N;128.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128139;MM128139;C=CC(=NO)NC=CF;KATLXZCNBLSTTQ-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128140;MM128140;C#CC1OC=CC1C;SQOMVAGZTLJUSB-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128141;MM128141;C#CC1OC=CC1N;BAJAHAUTIGJRLN-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128142;MM128142;C#CC1ON=CC1C;KYVJKEOKJAWVQN-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128143;MM128143;C=C1C=CCC1CC;NQAWFTHGAPZAKJ-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128144;MM128144;CCn1oncc1=N;SEGFIJWDKJTPML-UHFFFAOYSA-N;113.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128145;MM128145;CCn1oncc1=O;DZSRMGZJMDEDAZ-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128146;MM128146;CNn1oncc1=N;PDWOJBMILDSOJX-UHFFFAOYSA-N;114.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128147;MM128147;CNn1oncc1=O;SKYMFECCBKTJBS-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128148;MM128148;COn1oncc1=N;HLTWWLQYKNKCTQ-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128149;MM128149;COn1oncc1=O;ABZAGZKBFJXAEW-UHFFFAOYSA-N;116.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128150;MM128150;CCn1ocnc1=O;XSXVCBCCFPKMHE-UHFFFAOYSA-N;114.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128151;MM128151;CNn1ocnc1=O;JGOZDBNTNRXRTG-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128152;MM128152;COn1ocnc1=O;LZTCYTRBOBCWGW-UHFFFAOYSA-N;116.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128153;MM128153;C=CC1CC=CC1=C;IOHXMWSBGZQJQH-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128154;MM128154;C=C1C=CCC1C#N;KHTDSXDAAKMQSH-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128155;MM128155;C=C1C=CCN1C=N;BXFMAVCPPMARHG-UHFFFAOYSA-N;108.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128156;MM128156;C=CN1CC=CC1=N;MOKYTLJHSFGKLK-UHFFFAOYSA-N;108.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128157;MM128157;C=CN1CC=CC1=O;PSHDBGWJPXLXFS-UHFFFAOYSA-N;109.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128158;MM128158;C=Cn1oncc1=N;WTIQDCJPFNTBHC-UHFFFAOYSA-N;111.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128159;MM128159;N=Cn1oncc1=N;LKGQLWOHBQBOPB-UHFFFAOYSA-N;112.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128160;MM128160;N=c1cnon1C=O;GZVXFEQIWBYVQT-UHFFFAOYSA-N;113.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128161;MM128161;C=Cn1oncc1=O;UPYRYXMDCWOICK-UHFFFAOYSA-N;112.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128162;MM128162;N=Cn1oncc1=O;DLBGYDGLOAVRKZ-UHFFFAOYSA-N;113.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128163;MM128163;O=Cn1oncc1=O;LGBCCWMTNZQMAO-UHFFFAOYSA-N;114.06;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128164;MM128164;C=Nn1oncc1=N;TZVPSQPDULREKM-UHFFFAOYSA-N;112.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128165;MM128165;C=Nn1oncc1=O;QVEGSVCPQXOZRX-UHFFFAOYSA-N;113.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128166;MM128166;N=Cn1ocnc1=N;DTGLYIBNDTVYRB-UHFFFAOYSA-N;112.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128167;MM128167;N=c1ncon1C=O;HYTPILSJEOEWOL-UHFFFAOYSA-N;113.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128168;MM128168;C=Cn1ocnc1=O;NKYZHEBRSHTAFR-UHFFFAOYSA-N;112.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128169;MM128169;N=Cn1ocnc1=O;JUVFNRFUJCCCCQ-UHFFFAOYSA-N;113.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128170;MM128170;O=Cn1ocnc1=O;JQTBCNJVJHECAR-UHFFFAOYSA-N;114.06;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128171;MM128171;C=Nn1ocnc1=N;XHLDKGJYYOAVMA-UHFFFAOYSA-N;112.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128172;MM128172;C=Nn1ocnc1=O;BIKWIWKOMSVZQR-UHFFFAOYSA-N;113.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128173;MM128173;C#CC1CC=CC1=C;ICKGOYAUHDESMG-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128174;MM128174;C#CC1CC=CC1=O;JCGRXAXNXAFGAK-UHFFFAOYSA-N;106.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128175;MM128175;C#Cc1[nH]ccc1O;UNXNNICHKHKANL-UHFFFAOYSA-N;107.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128176;MM128176;NN=C1CC(=NN)NN1;HXZWETYBXZEUGH-UHFFFAOYSA-N;128.14;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128177;MM128177;CN=c1cc(O)nnn1O;DZLYYTCWOHVKDI-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128178;MM128178;C#CC1OC=CC1=C;CSNIWVQGQZIXAA-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128179;MM128179;CNc1cc(O)n(N)n1;QGOIDZVVQQQSQP-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128180;MM128180;CC=C1CC=CC1C;JFWBSDMVIBLRKF-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128181;MM128181;CC=C1CC=CC1N;HYLARZQJUIGZHN-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128182;MM128182;CNC1=NN=C(OC)C1;KFNKDMNSYVWLDH-UHFFFAOYSA-N;127.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128183;MM128183;CC1C=CCC1=NN;QYUQESCSWKQFOJ-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128184;MM128184;CC=C1N=CNC1C;QVORKBBVVDYLGR-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128185;MM128185;CC=C1OC=CC1C;BPLZMQLTFSJVFM-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128186;MM128186;CN=c1[nH]ccn1C;RLXLWFPRNNKNMB-UHFFFAOYSA-N;111.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128187;MM128187;Cn1cc[nH]c1=NN;PBBUFPQCPQHLQJ-UHFFFAOYSA-N;112.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128188;MM128188;CN=c1[nH]ccn1N;IRRKKORFDJIIQA-UHFFFAOYSA-N;112.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128189;MM128189;NN=c1[nH]ccn1N;DEFBNPGZDKWQML-UHFFFAOYSA-N;113.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128190;MM128190;CN=c1[nH]ccn1O;WUTHRCKDSKZZEZ-UHFFFAOYSA-N;113.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128191;MM128191;ON=c1[nH]ccn1O;QSISBJMJYWUKEY-UHFFFAOYSA-N;115.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128192;MM128192;Nn1nc[nH]c1=NO;CXZDQDNDEZPEKP-UHFFFAOYSA-N;115.1;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128193;MM128193;C=NN1CC1C(C=O)=NO;OBRXKFPQVUMWNW-UHFFFAOYSA-N;141.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128194;MM128194;CN=c1oc(O)c(F)n1C;KIYBGTOCSFOYHT-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128195;MM128195;CCc1nc(=N)o[nH]1;HGPUJQWMCPURNO-UHFFFAOYSA-N;113.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128196;MM128196;CC(C)(CO)C(=N)NC=O;PYNQQUFKIQBEOP-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128197;MM128197;Cn1ccoc1=NO;CLJSPJPBDBJDTH-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128198;MM128198;CN=c1occn1N;UAIRCJCUBVCDFA-UHFFFAOYSA-N;113.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128199;MM128199;C=C(C=NO)C(C)(C)CC;WBABWFPBXDLTJT-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128200;MM128200;Nn1ccoc1=NO;GPLDZJJCPMUHAG-UHFFFAOYSA-N;115.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128201;MM128201;C=C(C)C(C)=CC(C)=NO;YMOUDNCULFCCGO-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128202;MM128202;C=CC(=O)CC(=N)NC=O;BFWJLFSJIJYGKJ-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128203;MM128203;ON=c1occn1O;OPVATOJWOZINIR-UHFFFAOYSA-N;116.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128204;MM128204;CN=c1oncn1C;BSZVMWMINMISHG-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128205;MM128205;C#CC(=O)CC(=N)NC=O;IXFPIIXDWTUGFK-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128206;MM128206;Cn1cnoc1=NO;NWQBFPVDPVTJNP-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128207;MM128207;CN=c1oncn1N;VQYANOLJJZZRLP-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128208;MM128208;C=CC(O)CN(N)C=NO;HICZMLPLBNKVFH-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128209;MM128209;Nn1cnoc1=NO;ZJXQYVLODRZORS-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128210;MM128210;N=CNC(=O)NCCCO;YIRYAXPKBBDCFS-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128211;MM128211;NN=c1oncn1O;XRJYTGSDNHDDLY-UHFFFAOYSA-N;116.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128212;MM128212;CN=c1ocnn1C;HQZXDYCFMWKSTH-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128213;MM128213;C=COCCN(N)C=NO;GJCYORXOWZZSSG-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128214;MM128214;Cn1ncoc1=NO;GRHFCRHWZQZBLU-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128215;MM128215;CN=c1ocnn1N;JSLIPJPOGIRXHE-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128216;MM128216;NN=CCCN(N)C=NO;LWELXHFHBUTERA-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128217;MM128217;Nn1ncoc1=NO;PCUCJZQIPXPBRT-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128218;MM128218;CCOC(=O)C(O)C=NN;QRVYRFXIHPTCNI-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128219;MM128219;NN=c1ocnn1O;AKHWYJXMLAEBAZ-UHFFFAOYSA-N;116.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128220;MM128220;CN=c1onnn1C;MPLHZQHOEFDVDV-UHFFFAOYSA-N;114.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128221;MM128221;C=C(C=NN)C(=O)NC=N;KIEGXLIOFUZGOS-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128222;MM128222;CN=c1onnn1N;LMUWKBNNTYYNJZ-UHFFFAOYSA-N;115.1;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128223;MM128223;C=C1C(=NO)CCC1(C)C;OOXUHLQNVPMAIE-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128224;MM128224;CN=c1onnn1O;WHYPPFTUOJWHKA-UHFFFAOYSA-N;116.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128225;MM128225;NN=c1onnn1O;GZWKJANUSZLODL-UHFFFAOYSA-N;117.07;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128226;MM128226;C=C1C=CCC1=CC;BQRRMDLKRNKWJH-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128227;MM128227;CC=C1CC=CC1=O;WVZZPGIFLFPSNJ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128228;MM128228;C=c1ccoc1=CC;MAOAEGPCQHHBKJ-UHFFFAOYSA-N;108.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128229;MM128229;C=c1ccoc1=CF;OFVJUYQNXGQKIR-UHFFFAOYSA-N;112.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128230;MM128230;CCC1C=CCC1C;VBMKFPQFSDMOOB-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128231;MM128231;CCC1C=CCC1N;KZCXDFGAPJPOGO-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128232;MM128232;C=CC1C=CCC1C;YIEFCMKHALRVCG-UHFFFAOYSA-N;108.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128233;MM128233;CC1CC=CC1C#N;KDAGVBQHJWWNFC-UHFFFAOYSA-N;107.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128234;MM128234;C=CC1C=CCC1N;MBOFQSZUVCSZJS-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128235;MM128235;C#CC1(C)OC1C(=O)NN;MPHMRCBGGIQFQC-UHFFFAOYSA-N;140.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128236;MM128236;C=CC1C=COC1C;RPRQWKXGGRLMAZ-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128237;MM128237;C=CC1C=NOC1C;AVTTWCCCGVASGW-UHFFFAOYSA-N;111.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128238;MM128238;CCC1(C)CC(=NO)NN1;OIKXGRBOFHQZIL-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128239;MM128239;C=CC1C=CCN1C;ZZQOESMHLZTAAL-UHFFFAOYSA-N;109.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128240;MM128240;C=CN1C=NCC1C;CZSGNBCHPUDBSV-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128241;MM128241;C#CC1C=CCC1C;JUPYISATOPDPMT-UHFFFAOYSA-N;106.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128242;MM128242;C#CC1C=CCC1N;NEKUFMRNSYRNBX-UHFFFAOYSA-N;107.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128243;MM128243;NNC(=NO)NC(=O)CO;FIALUPONHHZMPG-UHFFFAOYSA-N;148.12;-2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128244;MM128244;C#CC1C=NNC1C;KAXVRMYENKSLDY-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128245;MM128245;C#CC1C=COC1C;ZBKXDBBHDLFZSF-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128246;MM128246;C#CC1C=NOC1C;WGLVPQCMLNWBMQ-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128247;MM128247;C=CC1C=CCC1=C;JUURODODVOJKAR-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128248;MM128248;C=C1CC=CC1C#N;MMUIZMLCDBRHHS-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128249;MM128249;C#CC1C=CCC1=C;SRYOMUWIESGSLL-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128250;MM128250;C=COCC(=C)NC=NO;PVRNZWBJVXDJKA-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128251;MM128251;CC=C1C=CCC1C;PHIJIVHXDOSBPG-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128252;MM128252;CC=C1C=CCC1N;CMVCCKHADLEADG-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128253;MM128253;CC=C1C=NNC1C;UHUCQDAPSLVAQV-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128254;MM128254;CC=C1C=COC1C;KLLWKDORVXJSBN-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128255;MM128255;CC=C1C=NOC1C;KCKHBDJOWIEJCI-UHFFFAOYSA-N;111.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128256;MM128256;Cn1[nH]ccc1=NO;AZJVYQYZLNMFTB-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128257;MM128257;CCC(=O)CC(=O)C(C)=O;PLNIROICNOROEN-UHFFFAOYSA-N;142.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128258;MM128258;O=c1cccc(F)n1O;FQASMBSJOSKAEL-UHFFFAOYSA-N;129.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128259;MM128259;Cn1c(=O)cnn(O)c1=O;FPODMCJSJXTSDG-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128260;MM128260;O=c1ccc(=O)n(O)n1O;RAWOVOXMSQCWEU-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128261;MM128261;CN=c1ccon1C;OEMOLEDFYBIWQY-UHFFFAOYSA-N;112.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128262;MM128262;Cn1occc1=NO;FEWOUDPZBGJGMQ-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128263;MM128263;CCC=CN(N)C(C)=NO;CSVRAHVGUPIZAC-UHFFFAOYSA-N;143.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128264;MM128264;CC=NNC(=O)C1(C)CN1;MPRVNUWWKLJDLW-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128265;MM128265;CN=c1cnon1C;QDLLOSBJZZYFPJ-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128266;MM128266;N#CCNC(C=CN)=NO;VXLRMLZZCYIEPF-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128267;MM128267;CN=c1cnon1N;VXTDGRMYKMKUCD-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128268;MM128268;C=CC(=NO)N(N)C=NC;KFRGIZCEEWIMRP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128269;MM128269;Nn1oncc1=NO;RPENDJOQPXEHRE-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128270;MM128270;CN=c1cnon1O;DMGMBYGYJRHCLF-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128271;MM128271;NN=c1cnon1O;ZPUQNAFEWXHXJF-UHFFFAOYSA-N;116.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128272;MM128272;O=c1nc[nH]n1O;MNIHRQWSHBYIFT-UHFFFAOYSA-N;101.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128273;MM128273;O=Cc1cc(=O)n(O)o1;RYGDWWBSAGDPEA-UHFFFAOYSA-N;129.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128274;MM128274;CCCC1=NN=C(NC)C1;LHCXUKCWTAGYIK-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128275;MM128275;Cn1ocnc1=NO;VYMPAVLSZBEEON-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128276;MM128276;CN=c1ncon1N;OLUQCRJATAWZDA-UHFFFAOYSA-N;114.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128277;MM128277;CN(C=NO)CCF;XEGRZWGIYTXVKV-UHFFFAOYSA-N;120.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128278;MM128278;C=C1CNC(=NO)C1;VFEYLFQMJNNXTC-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128279;MM128279;CC(=O)CC(=N)NC=O;IARRGIQMMKDDOT-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128280;MM128280;CN=c1nnon1C;FSXLZOFMMXUQJX-UHFFFAOYSA-N;114.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128281;MM128281;CC1NC1(C)C(O)C#N;VBXACPQLEYFNBY-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128282;MM128282;Cn1onnc1=NO;DLOMJALCELUWJT-UHFFFAOYSA-N;116.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128283;MM128283;CN=c1nnon1N;ZZDCNASQSIWHHL-UHFFFAOYSA-N;115.1;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128284;MM128284;CN1CC1(C)C(O)C#N;MRNSSMCRIUELOZ-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128285;MM128285;Nn1onnc1=NO;YMZDTDHNCDRZGO-UHFFFAOYSA-N;117.07;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128286;MM128286;C=NNC(=O)N(C)NC;DXFNXWXRBOANMK-UHFFFAOYSA-N;130.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128287;MM128287;NN=c1nnon1O;VONXLSJHDUCTJA-UHFFFAOYSA-N;117.07;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128288;MM128288;ON=c1nnon1O;VGAOKDSXGXTGPK-UHFFFAOYSA-N;118.05;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128289;MM128289;CC=C1C=CNC1=N;XQWXLHCOCJBGGK-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128290;MM128290;CC=C1C=CNC1=O;MNFHOYXQLXONMW-UHFFFAOYSA-N;109.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128291;MM128291;CC1(C(=O)NC=N)CC1;OXXSMNDBXBRZHE-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128292;MM128292;C=c1oc(=CN)c(=O)n1O;INNWYLSRMODHAQ-UHFFFAOYSA-N;142.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128293;MM128293;C=c1occc1=CC;QFAKZCQQFGANEQ-UHFFFAOYSA-N;108.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128294;MM128294;C=c1occc1=CF;WRYWLOMEVXSKAS-UHFFFAOYSA-N;112.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128295;MM128295;CCN1CCN=C1C;VMZNMSUASLBPDS-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128296;MM128296;C=CC1CCC=C1C;BCSKKKCQWNGMIV-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128297;MM128297;CC1=CCCC1C#N;QFLQXKLIXSNNDQ-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128298;MM128298;CC1=CCCN1C=N;CESMYBPMLXUBPQ-UHFFFAOYSA-N;110.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128299;MM128299;C=CN1CCN=C1C;VDSAXHBDVIUOGV-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128300;MM128300;CC1=NCCN1C=N;QCLOOUPOAXQMCT-UHFFFAOYSA-N;111.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128301;MM128301;C=NN1CCN=C1C;AHBKXTPWILOLRG-UHFFFAOYSA-N;111.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128302;MM128302;C#CC1CCC=C1C;ZVRPLYFGGKPMSJ-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128303;MM128303;C#CC1COC=C1C;UOAWIQAGMIZKBK-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128304;MM128304;C#CC1CNN=C1C;ZHYZZWVXAVPULC-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128305;MM128305;C#CC1NCC=C1C;HRISJRDGNKGSRN-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128306;MM128306;CC=C1CCC=C1C;ZXNMMLANORSQJZ-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128307;MM128307;CC1=CCCC1=NN;JXYQYOWDOGPBKP-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128308;MM128308;CC=C1COC=C1C;MFYFYNWMLQNBMB-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128309;MM128309;CC=C1CNN=C1C;MVUOAUDRHPSVLE-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128310;MM128310;C=CNC1=NN=C(C)C1;JMMUMWOJRREDPZ-UHFFFAOYSA-N;123.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128311;MM128311;Cc1c[nH]oc1=NO;KOZVAXBHMRPMRL-UHFFFAOYSA-N;114.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128312;MM128312;NN=c1o[nH]cc1N;SIYFQOKXYQWFEY-UHFFFAOYSA-N;114.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128313;MM128313;Nc1c[nH]oc1=NO;QLKKPPQXCYRRRK-UHFFFAOYSA-N;115.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128314;MM128314;NN=c1o[nH]cc1O;HAWZRMMSUOQDPC-UHFFFAOYSA-N;115.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128315;MM128315;Nc1cn(O)c(F)c1O;YTKFBFDXIKKJAF-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128316;MM128316;C=CC1C=CC=C1C;QKLCTCMXFXBOKA-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128317;MM128317;CC1=CC=CC1C#N;KSXDWDCUQHAQSC-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128318;MM128318;C#CC1C=CC=C1C;ZVTSZOSWESZFKJ-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128319;MM128319;C#CC1C=NN=C1C;NBLHJBFOXYJEBC-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128320;MM128320;CC=C1C=CC=C1C;UZRWJOLUGFBIPF-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128321;MM128321;Cc1ccn(CC#N)n1;KJTZQQSHCZIVAL-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128322;MM128322;C=C1C(C)=CCC1=NO;MBTXGEMECKGLLB-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128323;MM128323;CCC1=CCCC1C;BZNZWJRSMCINQO-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128324;MM128324;CCC1=CCCC1N;MCZJDEILBIXOET-UHFFFAOYSA-N;111.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128325;MM128325;N=CNC(=O)C1CC1O;JFMVGBGNEGGKED-UHFFFAOYSA-N;128.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128326;MM128326;CCC1=COCC1C;ZGGPHKHMRJCQBM-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128327;MM128327;CCC1=CCNC1C;FDSYETUVUPJAGD-UHFFFAOYSA-N;111.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128328;MM128328;CC1NCC=C1CN;AAGRUWUJGAASEL-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128329;MM128329;CCC1=CCOC1C;NKPJXLZBLQHOQJ-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128330;MM128330;CCC1=NNCC1C;BFPRKAOSDILNNU-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128331;MM128331;C=CC1=CCCC1C;CGKCCDDFJKMABL-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128332;MM128332;CC1CCC=C1C#N;LOCRVKDXTNUOLV-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128333;MM128333;C=CC1=CCCC1N;PUDVXKYQOROSQP-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128334;MM128334;CCC1(C(O)C#N)CN1;ZPZMKMWTYCFDNP-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128335;MM128335;N#CC1=CCCC1O;XYODDUAFKAHJBC-UHFFFAOYSA-N;109.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128336;MM128336;CC1CNC=C1C#N;DILMGAUEDWZDJX-UHFFFAOYSA-N;108.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128337;MM128337;CCN1CCC(=NO)N1;HJETYPCMNMELBL-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128338;MM128338;C=CC1=COCC1C;XJROPXPIJYKNET-UHFFFAOYSA-N;110.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128339;MM128339;CC1COC=C1C#N;WETYXJJGAQLZQW-UHFFFAOYSA-N;109.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128340;MM128340;C=CC1=COCC1N;QVIWBBYBYRGQMD-UHFFFAOYSA-N;111.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128341;MM128341;C=CC1=CCNC1C;BAIZRZGZEXBIIV-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128342;MM128342;C=CC1=CCOC1C;KAPXLRUDIRCICW-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128343;MM128343;CC1OCC=C1C#N;BJIOMQHMVSWHJV-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128344;MM128344;C=CC1=NNCC1C;RVBPXRHEWKJPAT-UHFFFAOYSA-N;110.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128345;MM128345;C#CC1=NC(C#N)CN1;PHKATWFDZHXTLW-UHFFFAOYSA-N;119.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128346;MM128346;C=CC1=NOCC1C;QAAVBAQRBPBPRH-UHFFFAOYSA-N;111.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128347;MM128347;CC1CON=C1C#N;DLKBTWVVXIUOLO-UHFFFAOYSA-N;110.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128348;MM128348;CN1CCN=C1C#N;RSLZBWRFRIFYGF-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128349;MM128349;C#CC1=CCCC1C;MEHOYQKTKZAZFA-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128350;MM128350;C#CC1=CCCC1N;PYTDZERANCBXIZ-UHFFFAOYSA-N;107.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128351;MM128351;C=CC1=NNC(=NN)C1;GBAYLXMHLHSMOO-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128352;MM128352;C#CC1=CCCC1F;SQSCFLNIDLLIHK-UHFFFAOYSA-N;110.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128353;MM128353;C#CC1=COCC1C;KLOFTPDNBAHWOQ-UHFFFAOYSA-N;108.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128354;MM128354;C#CC1=COCC1N;GSQZAYRNFLKPEN-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128355;MM128355;C#CC1=COCC1O;APAGWKVOZFZAJY-UHFFFAOYSA-N;110.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128356;MM128356;C#CC1=COCC1F;LXPRRMAOGWKMRT-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128357;MM128357;C#CC1=CCNC1C;HPXDPWODARLHCT-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128358;MM128358;C#CC1=CCOC1C;XXWPEFNNUWDFEB-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128359;MM128359;C#CC1=NNCC1C;QJKQFCFTLYRWHR-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128360;MM128360;N#CC1CNC(NO)=N1;LGPZATYRZVTDEU-UHFFFAOYSA-N;126.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128361;MM128361;C#CC1=NOCC1C;CKVRBPRRDWUPLO-UHFFFAOYSA-N;109.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128362;MM128362;C#CC1=NOCC1O;UXUZLGZWLZLSFD-UHFFFAOYSA-N;111.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128363;MM128363;C#CC1=NCCN1C;BELKNBRFWAVTEX-UHFFFAOYSA-N;108.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128364;MM128364;C=CC=CC(=O)NC(C)=N;DTAFZEYFNCKPEI-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128365;MM128365;C=C1CCC=C1CC;GPLBPYMPFDKCFE-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128366;MM128366;CCC1=CCCC1=O;GKDBCXCOTZXACW-UHFFFAOYSA-N;110.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128367;MM128367;C=C1COC=C1CC;JYVFPHYZVNRZOT-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128368;MM128368;CCC1=CCNC1=N;OJFNOTIBCURTIH-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128369;MM128369;CCC1=CCNC1=O;NEAMTPNWTMOPGD-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128370;MM128370;CC1=CC(=NO)CC1(C)C;SHFNLPKSRFCKKU-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128371;MM128371;C=C1OCC=C1CC;KVMRXAWERIEPHU-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128372;MM128372;C=C1OCC=C1CN;VDDOXPHTJHFIAT-UHFFFAOYSA-N;111.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128373;MM128373;CCC1=CCOC1=O;LYXHBPXYBNIGIH-UHFFFAOYSA-N;112.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128374;MM128374;C=C1CNN=C1CC;GTRXQHGKAJKPHS-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128375;MM128375;Nc1nn(O)c(=O)[nH]1;FGSPXVZINORQIB-UHFFFAOYSA-N;116.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128376;MM128376;C=CC1=CCCC1=C;PUWXUUJGDMJGMS-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128377;MM128377;C=C1CCC=C1C=O;BZZBXEBRWYSZFQ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128378;MM128378;C=C1CCC=C1C#N;UGJPLCYUWIYWPK-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128379;MM128379;C=CC1=CCCC1=O;KNBPFMYLUOGAGG-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128380;MM128380;N#CC1=CCCC1=O;WJTWHJRAPTZRNI-UHFFFAOYSA-N;107.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128381;MM128381;C=C1CNC=C1C#N;XXMNVNHRVNRCEA-UHFFFAOYSA-N;106.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128382;MM128382;C=Cc1c[nH]cc1O;QKDIBGIPZPYUQG-UHFFFAOYSA-N;109.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128383;MM128383;C=C1COC=C1C#N;USMAICSLFYYKIK-UHFFFAOYSA-N;107.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128384;MM128384;C=Cc1cnn(O)c(=O)c1;QPIYVWWDOZOSKU-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128385;MM128385;C=CC1=CCNC1=N;KNUJZFYYOHSCNI-UHFFFAOYSA-N;108.14;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128386;MM128386;C=CC1=CCNC1=O;SFIYSLCBGCYQTC-UHFFFAOYSA-N;109.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128387;MM128387;N#CC1=CCNC1=O;CKBKYKCERHDGBN-UHFFFAOYSA-N;108.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128388;MM128388;CC#CCCN(N)C=NO;UROYXYHWCYEXIZ-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128389;MM128389;C=CN=CNC(=O)C=CC;AYHGLMXSNGGEMQ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128390;MM128390;C=CC1=CCOC1=C;YHVPJMKYJNCTST-UHFFFAOYSA-N;108.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128391;MM128391;C=C1OCC=C1C=O;IRSCQRCVXDCGRX-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128392;MM128392;C=C1OCC=C1C#N;SDHMUKBRSMWJSF-UHFFFAOYSA-N;107.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128393;MM128393;C=CC1=CCOC1=O;ZHCVVUYVRCVOAH-UHFFFAOYSA-N;110.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128394;MM128394;N#CC1=CCOC1=O;XXFATIBZHXYSKN-UHFFFAOYSA-N;109.08;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128395;MM128395;Cc1c(F)c(=O)n(O)n1O;JPUIEOZUFNEVBB-UHFFFAOYSA-N;148.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128396;MM128396;C=NNC(=O)N(N)CCO;GFTODXJUAUQDIB-UHFFFAOYSA-N;146.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128397;MM128397;C=CC1=NOCC1=C;JMZLKWSHDSBOMW-UHFFFAOYSA-N;109.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128398;MM128398;C=C1CON=C1C#N;TUAHGGSRGNMWRZ-UHFFFAOYSA-N;108.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128399;MM128399;C#CC1=CCCC1=C;IGXLGMNNCUTHHF-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128400;MM128400;C#CC1=CCCC1=O;JJWRTWANMMASGG-UHFFFAOYSA-N;106.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128401;MM128401;C#Cc1c[nH]cc1O;OKSSWMBOTSKJLJ-UHFFFAOYSA-N;107.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128402;MM128402;C#CC1=COCC1=C;SRASSLSAQJULSG-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128403;MM128403;COc1nc(O)no1;CPEXXFDJKCEEQK-UHFFFAOYSA-N;116.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128404;MM128404;C#CC1=CCNC1=N;QXQYMGUOHHHRKS-UHFFFAOYSA-N;106.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128405;MM128405;C#CC1=CCNC1=O;JWVIQCDGKVUEMV-UHFFFAOYSA-N;107.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128406;MM128406;C=CCN(N)C(=O)NN=C;XRRLUUJXDKVCJN-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128407;MM128407;O=c1c(CO)con1O;BGCKTDLOLJDHDJ-UHFFFAOYSA-N;131.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128408;MM128408;CC=CC(C)C(=N)NC=O;BCTIWCABDJAJKM-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128409;MM128409;C#CCC(=NO)C(=O)OC;PHOIYTVOWHAAPU-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128410;MM128410;C#CC1=CCOC1=C;XYEDMLNPKYFLGD-UHFFFAOYSA-N;106.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128411;MM128411;C#CC1=CCOC1=O;BYTGQABALCGGOA-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128412;MM128412;C#CC1=NNCC1=C;MFGPDVPGUJEPDG-UHFFFAOYSA-N;106.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128413;MM128413;C#CC1=NOCC1=C;JSETZWYXFGJLJI-UHFFFAOYSA-N;107.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128414;MM128414;C#CCCC(C#N)=NO;INCKTABHKSDQLP-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128415;MM128415;C=NNC(=O)C(N)C(N)=O;OJQYIFOQTYFPNH-UHFFFAOYSA-N;144.13;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128416;MM128416;C=C(OCC)C(C#N)=NO;LAIKIFHBJJPDMQ-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128417;MM128417;CN1CC(C=O)=CC1=O;FAYKMZVJVPWDEU-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128418;MM128418;CCC1=CC=CC1C;GEYYEEOAOLZLRA-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128419;MM128419;CC1C=CC=C1CN;JJFONYQQYAQWSF-UHFFFAOYSA-N;109.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128420;MM128420;CC1C=CC=C1CO;ZFPMFTIAXLZKKI-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128421;MM128421;CCC1=CC=CC1N;JFCMKTWZRGVOJS-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128422;MM128422;CCC1=CC=CC1O;WXWYEAMRZNIJHO-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128423;MM128423;CCC1=NN=CC1C;DFPIYJDMLZUTHE-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128424;MM128424;CCc1cccn1C;NRFLRWJZUPDSLT-UHFFFAOYSA-N;109.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128425;MM128425;CCc1cccn1N;UMGRWWUNWSVUQR-UHFFFAOYSA-N;110.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128426;MM128426;CCc1ccnn1C;TYWFOQSRTCOHLB-UHFFFAOYSA-N;110.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128427;MM128427;CCc1cnnn1C;NSJLAMSQYHXKOD-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128428;MM128428;C=CC1=CC=CC1C;INEWFQQQDSBQEO-UHFFFAOYSA-N;106.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128429;MM128429;CC1C=CC=C1C=O;LFISLCDOUCASKV-UHFFFAOYSA-N;108.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128430;MM128430;CC1C=CC=C1C#N;LJGOUIHACIHIHT-UHFFFAOYSA-N;105.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128431;MM128431;C=CC1=CC=CC1N;RGZUKXBZTCZZDW-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128432;MM128432;C=CC1=CC=CC1O;CYJIGQVRUXICJC-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128433;MM128433;N#CC1=CC=CC1O;GEFWSCAQLLJMMS-UHFFFAOYSA-N;107.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128434;MM128434;C=CC1=CC=CC1F;UQKKDHNCGPCBMK-UHFFFAOYSA-N;110.13;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128435;MM128435;N#CC1=CC=CC1F;YIDGPVWWIJTLKJ-UHFFFAOYSA-N;109.1;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128436;MM128436;C=CC1=NN=CC1C;YSEIHLBJIKFDSF-UHFFFAOYSA-N;108.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128437;MM128437;CC1C=NN=C1C#N;SJQNEDPXJOXOOU-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128438;MM128438;C=Cc1cccn1C;GHGVPCNHGZIJRN-UHFFFAOYSA-N;107.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128439;MM128439;Cn1cccc1C#N;JRQSGIQEBOZPHK-UHFFFAOYSA-N;106.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128440;MM128440;C=Cc1cccn1N;MHWVCWAUJBYBAJ-UHFFFAOYSA-N;108.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128441;MM128441;C=Cc1cccn1O;VAUUFWOZUJZPTR-UHFFFAOYSA-N;109.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128442;MM128442;Cn1cncc1C#N;VRBIIAGKRWHJQE-UHFFFAOYSA-N;107.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128443;MM128443;C=Cc1cncn1N;DBFWOXQVTLPGSR-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128444;MM128444;C=Cc1ccnn1C;XRTVFRQEQZKBTI-UHFFFAOYSA-N;108.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128445;MM128445;Cn1nccc1C#N;WMZMVWZFGUVSTA-UHFFFAOYSA-N;107.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128446;MM128446;C=Cc1ccnn1N;QTCOVDMOYHTAAS-UHFFFAOYSA-N;109.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128447;MM128447;C=Cc1cnnn1C;NKIRBSJOIDRRIN-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128448;MM128448;Cn1nncc1C#N;JMSGEQXROIQYKA-UHFFFAOYSA-N;108.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128449;MM128449;C=Cc1nccn1C;PZBASOPBSCAZSR-UHFFFAOYSA-N;108.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128450;MM128450;Cn1ccnc1C#N;VUHMRVLSRIYKKU-UHFFFAOYSA-N;107.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128451;MM128451;C=Cc1nncn1C;NYAVURDYANWBMJ-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128452;MM128452;Cn1cnnc1C#N;BWJGCPHFQAVLON-UHFFFAOYSA-N;108.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128453;MM128453;C=Cc1ncnn1C;SJAUJCQLRCYANB-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128454;MM128454;Cn1ncnc1C#N;ARRRWINELAZXJH-UHFFFAOYSA-N;108.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128455;MM128455;C=Cc1nnnn1C;DGRZUOBKGWHXNZ-UHFFFAOYSA-N;110.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128456;MM128456;C#CC1=CC=CC1C;WXYKDGVWKGUKRW-UHFFFAOYSA-N;104.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128457;MM128457;C#CC1=CC=CC1N;OCZBBZRDOWFRSS-UHFFFAOYSA-N;105.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128458;MM128458;C#CC1=CC=CC1O;GVWCJQGYCPVDIF-UHFFFAOYSA-N;106.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128459;MM128459;C#CC1=CC=CC1F;CRWYQTYVVYIZOF-UHFFFAOYSA-N;108.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128460;MM128460;C#CC1=NN=CC1C;SBKCNEZIDHKALR-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128461;MM128461;C#CC1=NN=CC1O;QJXFEMYESNZEKH-UHFFFAOYSA-N;108.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128462;MM128462;C#CC1=NN=CC1F;JAHIGYIQADWGMU-UHFFFAOYSA-N;110.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128463;MM128463;C#Cc1cccn1C;GVHFAIAIOJQAOU-UHFFFAOYSA-N;105.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128464;MM128464;C#Cc1cccn1N;IUVZUUVQBJFPSE-UHFFFAOYSA-N;106.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128465;MM128465;C#Cc1cccn1O;SFXRSBLURJPODO-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128466;MM128466;C#Cc1cncn1C;JFOSWQQRTHDTGG-UHFFFAOYSA-N;106.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128467;MM128467;C#Cc1cncn1N;NGGSEVMZXURNNC-UHFFFAOYSA-N;107.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128468;MM128468;C#Cc1cncn1O;RVUONZVYZARQMS-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128469;MM128469;C#Cc1ccnn1C;GRYDLSPDPNGPBB-UHFFFAOYSA-N;106.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128470;MM128470;C#Cc1ccnn1N;VEHIFMLEXMTSIX-UHFFFAOYSA-N;107.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128471;MM128471;C#Cc1cnnn1C;AHIZHCUVDSNHBT-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128472;MM128472;C#Cc1cnnn1N;JWOFHMCKFPGBHH-UHFFFAOYSA-N;108.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128473;MM128473;O=c1ncn(O)c(=NO)[nH]1;IHOQBBNJGNWNOJ-UHFFFAOYSA-N;144.09;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128474;MM128474;C#Cc1nccn1C;BDHWWGOWOGACLG-UHFFFAOYSA-N;106.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128475;MM128475;C#Cc1nccn1N;OPOQHAUBMQFFSG-UHFFFAOYSA-N;107.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128476;MM128476;C#Cc1nccn1O;ADHBTMXHILWBLC-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128477;MM128477;C#Cc1nncn1C;OSYBYYLYALLISY-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128478;MM128478;C#Cc1nncn1N;CAKHWNTXUMUWRY-UHFFFAOYSA-N;108.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128479;MM128479;C#Cc1ncnn1C;UVJMGPFHMYNHBV-UHFFFAOYSA-N;107.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128480;MM128480;C#Cc1ncnn1N;CNHJNAOSUCTNBZ-UHFFFAOYSA-N;108.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128481;MM128481;C#CC(F)=CC(CO)=NO;DNYQMQVLESYAPQ-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128482;MM128482;C#Cc1nnnn1C;RWGVOMPGLRWYGX-UHFFFAOYSA-N;108.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128483;MM128483;C#Cc1nnnn1N;WYXRJDBTQPYVJZ-UHFFFAOYSA-N;109.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128484;MM128484;C=C1C=CC=C1CC;WARFUBGCFNEAIP-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128485;MM128485;C=C1C=CC=C1CN;SCBCUKSHPVWUFF-UHFFFAOYSA-N;107.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128486;MM128486;CCC1=CC=CC1=O;DNQAJNBBDJGUHJ-UHFFFAOYSA-N;108.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128487;MM128487;CCC1=CN=CC1=O;AYIVNRXWRPONLN-UHFFFAOYSA-N;109.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128488;MM128488;C=C1C=NN=C1CC;IOUFHUYSKVWYGN-UHFFFAOYSA-N;108.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128489;MM128489;C=CC1=CC=CC1=C;JPKFOGQKCTWHHH-UHFFFAOYSA-N;104.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128490;MM128490;C=C1C=CC=C1C=O;ADLXPOYFCQMDSG-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128491;MM128491;C=C1C=CC=C1C#N;YJRKGXABZAANSQ-UHFFFAOYSA-N;103.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128492;MM128492;C=CC1=CC=CC1=O;QOBLUHAQJORCGW-UHFFFAOYSA-N;106.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128493;MM128493;N#CC1=CC=CC1=O;XRFKIUZFRRTTHC-UHFFFAOYSA-N;105.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128494;MM128494;C=C1C=NC=C1C=O;IBSVWGDMRFJELZ-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128495;MM128495;C=C1C=NC=C1C#N;UPPNPCWQIDYKAO-UHFFFAOYSA-N;104.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128496;MM128496;C=CC1=CN=CC1=O;GPBVJNNIKBWQKL-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128497;MM128497;N#CC1=CN=CC1=O;MIAPDCOXIQRRHO-UHFFFAOYSA-N;106.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128498;MM128498;C=CC1=CC=NC1=N;IYMGPQRZJNWJIN-UHFFFAOYSA-N;106.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128499;MM128499;C=CC1=CC=NC1=O;IGMMZJKLORIGMY-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128500;MM128500;N#CC1=CC=NC1=O;RIUHJAMPHGXKHX-UHFFFAOYSA-N;106.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128501;MM128501;C=CC1=NC=CC1=O;CTILKAZKNTVRIE-UHFFFAOYSA-N;107.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128502;MM128502;N#CC1=NC=CC1=O;VJMXOPHKOHHVNP-UHFFFAOYSA-N;106.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128503;MM128503;C=CC1=NN=CC1=C;JQPYSEOPACPFGQ-UHFFFAOYSA-N;106.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128504;MM128504;C=C1C=NN=C1C#N;JAHSOEXLKSHBED-UHFFFAOYSA-N;105.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128505;MM128505;C=CC1=NN=CC1=O;LWAOUCDXIBMDPD-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128506;MM128506;N#CC1=NN=CC1=O;XRHHGXOXQMNNNC-UHFFFAOYSA-N;107.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128507;MM128507;C=CC1=NC=NC1=N;PKHBCMYBSPOLTO-UHFFFAOYSA-N;107.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128508;MM128508;N#CC1=NC=NC1=N;VITWXISHUPCHDV-UHFFFAOYSA-N;106.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128509;MM128509;C=CC1=NC=NC1=O;ZAYRWXPSLGIAJC-UHFFFAOYSA-N;108.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128510;MM128510;N#CC1=NC=NC1=O;ODYCINRMBPAZBW-UHFFFAOYSA-N;107.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128511;MM128511;C#CC1=CC=CC1=C;RXJIMBWJALQXFT-UHFFFAOYSA-N;102.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128512;MM128512;C#CC1=CC=CC1=O;ZXBVPIIIDCLVOD-UHFFFAOYSA-N;104.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128513;MM128513;C#CC1=CN=CC1=O;FVMMWCHREOJQNN-UHFFFAOYSA-N;105.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128514;MM128514;C#CC1=CC=NC1=N;UPJDZGOVTKPXMD-UHFFFAOYSA-N;104.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128515;MM128515;C#CC1=CC=NC1=O;AZPGNOQXBPYNMF-UHFFFAOYSA-N;105.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128516;MM128516;C#CC1=NC=CC1=O;BXAAGRYAIIFFIN-UHFFFAOYSA-N;105.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128517;MM128517;C#CC1=NN=CC1=C;QNRUVTRLGCBFDT-UHFFFAOYSA-N;104.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128518;MM128518;C#CC1=NN=CC1=O;SZNOGMAYOYHEPG-UHFFFAOYSA-N;106.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128519;MM128519;C#CC1=NC=NC1=N;GFQSNYZXEVHMRP-UHFFFAOYSA-N;105.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128520;MM128520;C#CC1=NC=NC1=O;YLEZBVBPTZFKKK-UHFFFAOYSA-N;106.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128521;MM128521;CCC1=CCC=C1C;YAAMWAVWOKSTRR-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128522;MM128522;CC1=CCC=C1CN;ZTKYNJXHVMQSCN-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128523;MM128523;CCc1c[nH]cc1C;LJHJBIWBAPQTFM-UHFFFAOYSA-N;109.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128524;MM128524;Cc1c[nH]cc1CN;QCGCRYCJISUGQX-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128525;MM128525;NNC(=O)NCC(F)=CF;OJMQSCRULZMDSZ-UHFFFAOYSA-N;151.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128526;MM128526;CCc1cocc1C;BFXNFRURIGXJKA-UHFFFAOYSA-N;110.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128527;MM128527;CCc1cocc1N;FSIGOZLDYZHISQ-UHFFFAOYSA-N;111.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128528;MM128528;CC(C=CC(C)CO)=NO;ZFASJCWHPZEBOQ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128529;MM128529;CCc1conc1C;ZTDOHELHTVFODB-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128530;MM128530;CC(=NN)NC(=NO)NO;DQVOSUZKJKOPIY-UHFFFAOYSA-N;147.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128531;MM128531;CCc1nocc1C;HOHJAHNNJCZAAG-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128532;MM128532;C=CC1=CCC=C1C;WHFHKMNIEXWDDO-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128533;MM128533;CC1=CCC=C1C#N;BBMGUOAABCUBLU-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128534;MM128534;C=CC1=CCC=C1F;HGAAJEFASWGTIG-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128535;MM128535;N#CC1=CCC=C1F;RVEQYGMAXBDDKO-UHFFFAOYSA-N;109.1;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128536;MM128536;C=Cc1c[nH]cc1C;VLKSSTOOBFKAQH-UHFFFAOYSA-N;107.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128537;MM128537;Cc1c[nH]cc1C#N;XFDDOTKUCLKYAV-UHFFFAOYSA-N;106.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128538;MM128538;C=CC(=CC(C)=NO)CC;FDWIAVTTZAPUMY-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128539;MM128539;C=C(CO)C(=O)NC=NC;LTXAULHRKGFSOV-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128540;MM128540;C=Cc1cocc1C;BFMFRIOUCMAKMR-UHFFFAOYSA-N;108.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128541;MM128541;Cc1cocc1C#N;GXMMRZXBFUTMCS-UHFFFAOYSA-N;107.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128542;MM128542;C=Cc1cocc1N;QWLVJULSHPIOCC-UHFFFAOYSA-N;109.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128543;MM128543;Cc1[nH]ncc1C#N;SBHYNBAKHDSUKT-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128544;MM128544;C=Cc1conc1C;XPELTJVKVSKOJH-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128545;MM128545;Cc1nocc1C#N;PNJYMFYDZUDJDD-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128546;MM128546;CC(=NO)NNCCC=O;JVLSTXKIRDSUPC-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128547;MM128547;C=NOC(OC)C(O)C=O;QKOVKPOIYYTKAR-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128548;MM128548;C=CCN=C(CC)NC=O;FYYIWRXYWPJQHP-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128549;MM128549;CNC(C(N)=O)C(O)C#N;VMTHLOOQMUWZPF-UHFFFAOYSA-N;143.15;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128550;MM128550;C=Cc1nocc1C;ZQNVJFORZLUSRB-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128551;MM128551;Cc1conc1C#N;RCYDGLILCWALFG-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128552;MM128552;C=Cc1nn[nH]c1C;HLWROINQOSYBAM-UHFFFAOYSA-N;109.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128553;MM128553;C=Cc1nonc1C;DUXWVANOUYIHBQ-UHFFFAOYSA-N;110.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128554;MM128554;C#CC1=CCC=C1C;PVLMDQSLLBUUEL-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128555;MM128555;C#CC1=CCC=C1F;CSTNRDBVAQVGIM-UHFFFAOYSA-N;108.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128556;MM128556;C#Cc1c[nH]cc1C;OAOAJFKIDBZWNK-UHFFFAOYSA-N;105.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128557;MM128557;CN(O)C(=NCC#N)NO;CFWJZEIHTYQCKS-UHFFFAOYSA-N;144.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128558;MM128558;C#Cc1cocc1C;YALDTYPFAMSPBO-UHFFFAOYSA-N;106.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128559;MM128559;C#Cc1cocc1F;FRQNIIGVSLTIPY-UHFFFAOYSA-N;110.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128560;MM128560;C=CC(N=CNC=O)=NC;FYGGYPHBPPUOIY-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128561;MM128561;C#Cc1c[nH]nc1F;KIBLNCBBLZLRLC-UHFFFAOYSA-N;110.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128562;MM128562;C#Cc1conc1C;OSZITWMJHQZLRS-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128563;MM128563;C=NNC(=O)N(CC)NC;DUFCLMJNMXOOBJ-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128564;MM128564;N=CNC(=O)C(=CN)CO;AFXFKXLOWPXCLI-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128565;MM128565;C#Cc1nocc1C;VQQJFJRGHFMXNK-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128566;MM128566;C=CC1(C(=O)NN=C)CN1;XLDIJMVGAJKPKY-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128567;MM128567;C#Cc1nn[nH]c1C;DEBJWAOBTFUOHQ-UHFFFAOYSA-N;107.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128568;MM128568;C#Cc1nonc1C;VGBWXRZQCUCPCU-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128569;MM128569;CCC1=C(C)CCC1;MMYZGQDXYZNAQW-UHFFFAOYSA-N;110.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128570;MM128570;CC1=C(CN)CCC1;LSRFFWKHIBHJII-UHFFFAOYSA-N;111.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128571;MM128571;CCC1=C(C)CNC1;RJDARRKMKYRNPP-UHFFFAOYSA-N;111.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128572;MM128572;CCC1=C(C)COC1;OMOGECOMESMAOC-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128573;MM128573;CCC1=C(C)OCC1;MJCMFENWHKGCQM-UHFFFAOYSA-N;112.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128574;MM128574;C=CC1=C(C)CCC1;QSMLKDPTBZYEIR-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128575;MM128575;CC1=C(C#N)CCC1;KOJLZULYKHBEJM-UHFFFAOYSA-N;107.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128576;MM128576;N#CC1=C(N)CCC1;NSMYBPIHVACKQG-UHFFFAOYSA-N;108.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128577;MM128577;C=CC1=C(C)CNC1;KXRAWDLBDNFOLE-UHFFFAOYSA-N;109.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128578;MM128578;C=CC1=C(C)COC1;CFYJXIKQWKDBCQ-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128579;MM128579;CC1=C(C#N)COC1;UVDFSXGNPSWFEQ-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128580;MM128580;N#CC1=C(N)COC1;DUFYGSGRUDRJIG-UHFFFAOYSA-N;110.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128581;MM128581;CC1=C(C#N)CCN1;CMUGXYVLBPIZOL-UHFFFAOYSA-N;108.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128582;MM128582;N#CC1=C(N)NCC1;HLWKHSIBGHIJTK-UHFFFAOYSA-N;109.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128583;MM128583;C=CC1=C(C)OCC1;AATVCPFFOLTBFY-UHFFFAOYSA-N;110.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128584;MM128584;CC1=C(C#N)CCO1;UIUKSULXGADFPF-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128585;MM128585;N#CC1=C(N)OCC1;DLYTVYBGYYTXGF-UHFFFAOYSA-N;110.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128586;MM128586;CC1=C(C#N)OCC1;LMAIVEGFUAUJNZ-UHFFFAOYSA-N;109.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128587;MM128587;C#CC1=C(C)CCC1;PLVKABXGJAFHFA-UHFFFAOYSA-N;106.17;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128588;MM128588;C#CC1=C(F)CCC1;BGMQPQDOVHMLBR-UHFFFAOYSA-N;110.13;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128589;MM128589;C#CC1=C(C)CNC1;UFNFOOZAKWYPRG-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128590;MM128590;C#CC1=C(C)COC1;UENPKPRIPBPGGD-UHFFFAOYSA-N;108.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128591;MM128591;C#CC1=C(C)OCC1;WNOZOBKZHWJLFN-UHFFFAOYSA-N;108.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128592;MM128592;C#CC1=C(C)OCO1;BBEAECMIHKDDEA-UHFFFAOYSA-N;110.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128593;MM128593;CCC1=C(C)C=CC1;QNTULMJTSNDUED-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128594;MM128594;CC1=C(CN)CC=C1;JRJULBZOFHWSDQ-UHFFFAOYSA-N;109.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128595;MM128595;CCc1[nH]ccc1C;KVGYCXFTFGMIQU-UHFFFAOYSA-N;109.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128596;MM128596;CN=c1o[nH]cc1O;ZBLSXYXULMOYNI-UHFFFAOYSA-N;114.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128597;MM128597;C=CC1=C(C)C=CC1;BTPQGFMYXKYGAU-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128598;MM128598;CC1=C(C#N)CC=C1;NCBAUXGORONQOD-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128599;MM128599;C=C(C)C1=CC(=NO)NC1;NKHBUCNFHBBXHG-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128600;MM128600;C=CC1=C(F)C=CC1;QXCRBENEODNTPI-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128601;MM128601;C=Cc1[nH]ccc1C;HQAUGWGDIGILKJ-UHFFFAOYSA-N;107.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128602;MM128602;Cc1cc[nH]c1C#N;ZKMWYJKHFUVUFB-UHFFFAOYSA-N;106.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128603;MM128603;C=CC=C1CNC(=NO)C1;DDLLKUDMNQJLBU-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128604;MM128604;N#Cc1[nH]ccc1N;JJGJCRMPYWIBIT-UHFFFAOYSA-N;107.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128605;MM128605;Cc1[nH]cnc1C#N;KODWZZOTTOSNLW-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128606;MM128606;N#Cc1nc[nH]c1N;XEPBRDBFOSKYCF-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128607;MM128607;C=Cc1[nH]nnc1C;HLWROINQOSYBAM-UHFFFAOYSA-N;109.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128608;MM128608;C=Cc1occc1C;WAVMEWSWFALXSL-UHFFFAOYSA-N;108.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128609;MM128609;Cc1ccoc1C#N;WOTHMXKTLKXPGE-UHFFFAOYSA-N;107.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128610;MM128610;C#CC1=C(C)C=CC1;NWDXDJRNXJWSRZ-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128611;MM128611;C#CC1=C(F)C=CC1;OPIDTBVEJTYITR-UHFFFAOYSA-N;108.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128612;MM128612;C#Cc1[nH]ccc1C;VJTWBLPOZUBUNE-UHFFFAOYSA-N;105.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128613;MM128613;CC#CC1=NC(C#N)CN1;CPZAQTMPNSTPJU-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128614;MM128614;C#Cc1[nH]ccc1F;WMHVDXXSPVJJJT-UHFFFAOYSA-N;109.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128615;MM128615;CCc1ccn(CC#N)n1;JIWPEEVWMZGQTL-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128616;MM128616;C=Nn1cnc(CC#N)n1;ANFNXHWRODTYGZ-UHFFFAOYSA-N;135.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128617;MM128617;C#Cc1[nH]cnc1O;FHEHWSMVMWQDND-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128618;MM128618;C#Cc1[nH]nnc1C;DEBJWAOBTFUOHQ-UHFFFAOYSA-N;107.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128619;MM128619;C#Cc1[nH]nnc1N;KOCGITRRBCNPPN-UHFFFAOYSA-N;108.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128620;MM128620;CC(O)C(CO)=NO;ONFUHTNYZBJOTQ-UHFFFAOYSA-N;119.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128621;MM128621;C#Cc1occc1C;KTCFRKJJYOITBW-UHFFFAOYSA-N;106.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128622;MM128622;C#Cc1occc1N;VUNFERLLMRZVGY-UHFFFAOYSA-N;107.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128623;MM128623;C#Cc1oncc1C;DXKSICPAIQAEHI-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128624;MM128624;O=CC=CC1CN1C=NO;ZXCGZUFWUXUNPD-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128625;MM128625;C#Cc1ocnc1C;HJVBIKPCMOUVCK-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128626;MM128626;Nc1cn(N)c(O)n1;DTTOPLKIABPOAR-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128627;MM128627;C#Cc1onnc1C;VPOOMBPSUQZGJR-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128628;MM128628;C#Cc1onnc1N;WYQNMDDEFNLJPG-UHFFFAOYSA-N;109.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128629;MM128629;CCC1=C(C)CC=C1;JJXGVQHWSADUDX-UHFFFAOYSA-N;108.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128630;MM128630;CCc1cc[nH]c1C;ANKAJVAEJOORQT-UHFFFAOYSA-N;109.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128631;MM128631;Cc1[nH]ccc1CN;IPOOCCVNLRMRPT-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128632;MM128632;CCC(C)=CC=NO;OLAJXJQRZRTUMJ-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128633;MM128633;NCc1cc[nH]c1N;WFNMRFOEYITXSZ-UHFFFAOYSA-N;111.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128634;MM128634;CCc1cc[nH]c1O;XRNLWGYVCMEAHJ-UHFFFAOYSA-N;111.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128635;MM128635;CCc1ccoc1C;RGQILVDAFAAUKI-UHFFFAOYSA-N;110.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128636;MM128636;Cc1occc1CN;JBJAKJOQAZHEJQ-UHFFFAOYSA-N;111.14;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128637;MM128637;CCc1ccoc1N;UEETUWFBUBWDPF-UHFFFAOYSA-N;111.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128638;MM128638;CCc1cnoc1C;LYSDOHJXWJBGSP-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128639;MM128639;CCc1c[nH]oc1=N;DXKQDIQKHKCHDI-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128640;MM128640;CCc1nn[nH]c1C;OOFZCIQIZIJNMC-UHFFFAOYSA-N;111.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128641;MM128641;CCc1ncoc1C;CRARVVVEJLFERY-UHFFFAOYSA-N;111.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128642;MM128642;CCc1nnoc1C;KMRCGSMPXMNUBJ-UHFFFAOYSA-N;112.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128643;MM128643;C=CC1=C(C)CC=C1;FBVAULMWQCXHBR-UHFFFAOYSA-N;106.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128644;MM128644;CC1=C(C#N)C=CC1;SPKLBVWFBKPOOZ-UHFFFAOYSA-N;105.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128645;MM128645;CC1(C(O)C#N)CN1;AZYZOQGYTQPBLX-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128646;MM128646;C=CC1=C(F)CC=C1;MJZSKHWFWXENOZ-UHFFFAOYSA-N;110.13;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128647;MM128647;C=Cc1cc[nH]c1C;ZAZBMJPHIFUGQX-UHFFFAOYSA-N;107.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128648;MM128648;Cc1[nH]ccc1C#N;ZOAISSYFNQZAAW-UHFFFAOYSA-N;106.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128649;MM128649;CC1=CC(=NO)CC1;KLYYUSBYZPLGJW-UHFFFAOYSA-N;111.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128650;MM128650;C=CCC=CC=NO;JZMAXMWILDFMOR-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128651;MM128651;C=Cc1cc[nH]c1O;SRTQWRFVDAHTNB-UHFFFAOYSA-N;109.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128652;MM128652;CNNC(=O)C1CO1;XBSTXSMRWBMWJE-UHFFFAOYSA-N;116.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128653;MM128653;N#Cc1cn[nH]c1N;FFNKBQRKZRMYCL-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128654;MM128654;CC(F)(F)C(O)C=NO;ZURVWHGQSFKAGU-UHFFFAOYSA-N;139.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128655;MM128655;C=Cc1ccoc1C;MTNHDSHCDFSUIB-UHFFFAOYSA-N;108.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128656;MM128656;Cc1occc1C=O;WBFUBNWKSDINIX-UHFFFAOYSA-N;110.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128657;MM128657;Cc1occc1C#N;GSOVLYHQRYDZES-UHFFFAOYSA-N;107.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128658;MM128658;C=Cc1ccoc1N;HRAOCUJGZIHWRB-UHFFFAOYSA-N;109.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128659;MM128659;N#Cc1ccoc1N;WCFLBCQUEZKJJD-UHFFFAOYSA-N;108.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128660;MM128660;COC(C=NO)C(F)F;KFHMQTHUPYLRNQ-UHFFFAOYSA-N;139.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128661;MM128661;C=Cc1cnoc1C;NCEYWDGOBNESDW-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128662;MM128662;Cc1oncc1C#N;RJPKYXYLTAIWCT-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128663;MM128663;C=Cc1c[nH]oc1=N;IITDCNWIAFZESB-UHFFFAOYSA-N;110.12;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128664;MM128664;C=CCOC(C=NO)OC;GRQVQRAGPJUHMM-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128665;MM128665;C=Cc1nn[nH]c1N;JSLGAEMBMXVLSO-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128666;MM128666;C=Cc1ncoc1C;JPPGZHMTBYZQFB-UHFFFAOYSA-N;109.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128667;MM128667;Cc1ocnc1C#N;YLZGEAQDTXBPOC-UHFFFAOYSA-N;108.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128668;MM128668;CC(=CC=NO)C(C)C;YXAFXQFNXVDCMR-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128669;MM128669;N#Cc1ncoc1N;HMBJSRMVCZHYFN-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128670;MM128670;C=Cc1nnoc1C;VFCKEMBRDBEWPC-UHFFFAOYSA-N;110.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128671;MM128671;Cc1onnc1C#N;NVBLVKLGAQKPRD-UHFFFAOYSA-N;109.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128672;MM128672;N#Cc1nnoc1N;KVRWMBJKBBWGQL-UHFFFAOYSA-N;110.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128673;MM128673;C#CC1=C(C)CC=C1;OGXFGWMHGMZYKO-UHFFFAOYSA-N;104.15;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128674;MM128674;C#CC1=C(F)CC=C1;JJDJXLLPPVIKON-UHFFFAOYSA-N;108.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128675;MM128675;C#Cc1cc[nH]c1C;IOQHICXFVJHCIZ-UHFFFAOYSA-N;105.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128676;MM128676;C#CCNNC(C)=NO;AJPGSHAUBPFFJN-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128677;MM128677;C#Cc1cc[nH]c1O;BXMZSZRKCBTKQC-UHFFFAOYSA-N;107.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128678;MM128678;C#Cc1cc[nH]c1F;VQPNBKUABOSTFB-UHFFFAOYSA-N;109.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128679;MM128679;CC(CO)C(=O)NC=N;VWEPGSYTTBYRRY-UHFFFAOYSA-N;130.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128680;MM128680;C#Cc1cn[nH]c1F;KIBLNCBBLZLRLC-UHFFFAOYSA-N;110.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128681;MM128681;C#Cc1ccoc1C;YGFIDKYMRALNOB-UHFFFAOYSA-N;106.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128682;MM128682;C#Cc1ccoc1N;HICCEQMWAGXWIF-UHFFFAOYSA-N;107.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128683;MM128683;C#Cc1ccoc1F;UKXCSYSYZLZQQD-UHFFFAOYSA-N;110.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128684;MM128684;C#Cc1cnoc1C;KXOQNIGWHAHOPX-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128685;MM128685;C=Cc1cc(O)n(N)n1;RSRUEGCTKBIXFV-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128686;MM128686;C#Cc1cnoc1F;ULGZNLMGAISIDN-UHFFFAOYSA-N;111.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128687;MM128687;C#Cc1nn[nH]c1N;KOCGITRRBCNPPN-UHFFFAOYSA-N;108.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128688;MM128688;Cn1nc(O)n(C)c1=NO;IWGRPAZYTKGQHJ-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128689;MM128689;C#Cc1ncoc1C;PVPAJYRKYTXHRN-UHFFFAOYSA-N;107.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128690;MM128690;CN(C=N)C(=O)NC=O;PYMFQQWNWCIVOO-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128691;MM128691;C=Cc1c[nH]n(C=N)c1=O;MTGWQOOOSWTSMY-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128692;MM128692;C#Cc1nnoc1C;HDNVGIQMANQSQI-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128693;MM128693;C#Cc1nnoc1N;SHXMZYAIMNKHLW-UHFFFAOYSA-N;109.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128694;MM128694;C#Cc1c[nH]n(N)c1=O;OOZJBRQYSVDYAG-UHFFFAOYSA-N;123.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128695;MM128695;CCCC(C)C1CC1;HDRPKFBKHPJRQK-UHFFFAOYSA-N;112.22;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128696;MM128696;CC(CCN)C1CC1;QFPGWLBMYCTBCN-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128697;MM128697;C=C(C=NO)C(C)CC;ITTFDDPAGKYRTO-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128698;MM128698;CC(CCF)C1CC1;VIEGSFRWLXAEMB-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128699;MM128699;CCCC(N)C1CC1;XZJXCIIRPKKGTH-UHFFFAOYSA-N;113.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128700;MM128700;NCCC(N)C1CC1;YMVQIDAYXZCGJI-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128701;MM128701;NC(CCO)C1CC1;UELSFEZAVWXJFT-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128702;MM128702;NC(CCF)C1CC1;ZYZJFCMPOMCCBE-UHFFFAOYSA-N;117.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128703;MM128703;CC1(C(=N)NC=O)CC1;DXCSOINAFNTURS-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128704;MM128704;NCCC(O)C1CC1;ZUYFDEBXACJPLM-UHFFFAOYSA-N;115.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128705;MM128705;OCCC(O)C1CC1;RNVDETXCIRALGP-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128706;MM128706;OC(CCF)C1CC1;SWARJAARDAHYTA-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128707;MM128707;CCCC(F)C1CC1;DNWWPFZOOXLUTN-UHFFFAOYSA-N;116.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128708;MM128708;OCCC(F)C1CC1;AUDLBJNIZXVDFP-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128709;MM128709;FCCC(F)C1CC1;KMHOJNQIVWNQJS-UHFFFAOYSA-N;120.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128710;MM128710;CNCC(C)C1CC1;FZRKQXRJMBUBJS-UHFFFAOYSA-N;113.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128711;MM128711;CNCC(N)C1CC1;DMTRSTGNTYXNPY-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128712;MM128712;CNCC(O)C1CC1;YCRCLAWGWVSYLW-UHFFFAOYSA-N;115.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128713;MM128713;COCC(C)C1CC1;FOCYFQKIIDHBGC-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128714;MM128714;COCC(N)C1CC1;APFVIOCNPBAUSZ-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128715;MM128715;CCNC(C)C1CC1;KFSCACFJXLWXJY-UHFFFAOYSA-N;113.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128716;MM128716;CCOC(C)C1CC1;ZUSBQQRHXPXABZ-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128717;MM128717;CCCN(C)C1CC1;HFFBUTJCQGSVLC-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128718;MM128718;CN(CCN)C1CC1;BOGOVRPYKWYEKM-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128719;MM128719;CN(CCO)C1CC1;OSLUBCFDADJJFO-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128720;MM128720;CC(CCN)C1CN1;SIDCFIHNHXMESY-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128721;MM128721;CCCC(N)C1CN1;UILZXAJIKNVYSO-UHFFFAOYSA-N;114.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128722;MM128722;NCCC(N)C1CN1;SXSLRFPNUPNJPR-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128723;MM128723;NC(CCO)C1CN1;LUVOBGMHELVRCB-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128724;MM128724;NC(CCF)C1CN1;WUNUERMFASOSGK-UHFFFAOYSA-N;118.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128725;MM128725;NCCC(O)C1CN1;ZEFKUWWQBSWGFC-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128726;MM128726;CCCC(F)C1CN1;IOJWHMYZAKNTLJ-UHFFFAOYSA-N;117.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128727;MM128727;CC1=CC(=NO)CC1C;IHHOMQDZQBNHAO-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128728;MM128728;CNCC(C)C1CN1;PGXFEMAZRPBMPG-UHFFFAOYSA-N;114.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128729;MM128729;CNCC(N)C1CN1;LMAWBFYCBZCVNI-UHFFFAOYSA-N;115.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128730;MM128730;CNCC(O)C1CN1;KZBNGBPUDNNDSD-UHFFFAOYSA-N;116.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128731;MM128731;COCC(N)C1CN1;NZBRHPYXMHUCPJ-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128732;MM128732;COCC(F)C1CN1;OVBKYJZEIQDKBE-UHFFFAOYSA-N;119.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128733;MM128733;CCNC(C)C1CN1;FIIGEVUGHAGKJY-UHFFFAOYSA-N;114.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128734;MM128734;CCCC(C)C1CO1;YJNBGESTCBYXQO-UHFFFAOYSA-N;114.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128735;MM128735;CC(CCN)C1CO1;ADYRFQJYOQYGPD-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128736;MM128736;CC(CCO)C1CO1;ZDNAMDZJIFSYDJ-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128737;MM128737;CC(CCF)C1CO1;LMUFNWDBPNAIBD-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128738;MM128738;CCCC(N)C1CO1;UQBUGOKGXLUFDV-UHFFFAOYSA-N;115.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128739;MM128739;NCCC(N)C1CO1;QHWFZCLJZJFSMG-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128740;MM128740;NC(CCO)C1CO1;HAGZFFOBXBGBOO-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128741;MM128741;NC(CCF)C1CO1;DOLNZGAZZJALSY-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128742;MM128742;CCCC(O)C1CO1;ATPOZSUPSQATIN-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128743;MM128743;NCCC(O)C1CO1;QMOAWYJPXNQUQO-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128744;MM128744;OCCC(O)C1CO1;DGQUOBFOETZNMK-UHFFFAOYSA-N;118.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128745;MM128745;OC(CCF)C1CO1;CKJCIUYMRSRPQD-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128746;MM128746;OCCC(F)C1CO1;JJMGAQUMHYLBQO-UHFFFAOYSA-N;120.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128747;MM128747;CNCC(C)C1CO1;HYCNSWXPCQODKA-UHFFFAOYSA-N;115.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128748;MM128748;CNCC(N)C1CO1;ISYWKOVMPYFXPS-UHFFFAOYSA-N;116.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128749;MM128749;CNCC(O)C1CO1;VDPVJHNMXLCXQK-UHFFFAOYSA-N;117.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128750;MM128750;COCC(C)C1CO1;PEVCCLMWGCSIEC-UHFFFAOYSA-N;116.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128751;MM128751;COCC(N)C1CO1;JGNTYSWWQZIYKS-UHFFFAOYSA-N;117.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128752;MM128752;COCC(O)C1CO1;PZAATFAQTGBTBO-UHFFFAOYSA-N;118.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128753;MM128753;CCNC(C)C1CO1;ZJKSCIHWNHXJCW-UHFFFAOYSA-N;115.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128754;MM128754;CCOC(C)C1CO1;IACDNSUSWONFSG-UHFFFAOYSA-N;116.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128755;MM128755;CC(CCN)N1CC1;SVXZTUWVVQGRPC-UHFFFAOYSA-N;114.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128756;MM128756;CNCC(C)N1CC1;QPCDYPRRIGWMLA-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128757;MM128757;C=CCC(C)C1CC1;XYALXVNPZOQGMU-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128758;MM128758;CC(CC=O)C1CC1;HJAOSGCEJVVYIH-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128759;MM128759;CC(CC#N)C1CC1;KTHMCAZQBUQFOT-UHFFFAOYSA-N;109.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128760;MM128760;C=CCC(N)C1CC1;BVFICIQGFJPRSD-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128761;MM128761;C=C1CC(=NO)C=C1N;WEUCGPDPEWPSCE-UHFFFAOYSA-N;124.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128762;MM128762;O=CCC(O)C1CC1;HURJZFOFLZIEJV-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128763;MM128763;N#CCC(O)C1CC1;NVNVUGNBYVUNHW-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128764;MM128764;O=CCC(F)C1CC1;LCEMKXQNYLIBRB-UHFFFAOYSA-N;116.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128765;MM128765;CC(NC=N)C1CC1;VWZHQPQUDZOAIM-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128766;MM128766;CC1=C(C)C(=NO)CC1;ZAAXKBDGDYLXAC-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128767;MM128767;C=NNC(C)C1CC1;LEXVSGMHQMLUAW-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128768;MM128768;C=COC(C)C1CC1;MAYNZZATVSHLKT-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128769;MM128769;CC(OC=O)C1CC1;NVUPZHGJMGLZHP-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128770;MM128770;C=NOC(C)C1CC1;FKRPHXVNDZDMRU-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128771;MM128771;C=CCN(C)C1CC1;IWTDCJIERIZKAH-UHFFFAOYSA-N;111.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128772;MM128772;CN(CC#N)C1CC1;NQXFTFJMHSRVAD-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128773;MM128773;CN(NC=N)C1CC1;SVIIHGPPQHDZBU-UHFFFAOYSA-N;113.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128774;MM128774;CCC(=CC=NO)CC;DLOMAGFUSPMKJN-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128775;MM128775;C=CCC(N)C1CN1;SWZCOXBDMMVAOS-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128776;MM128776;CNN1C=NC(C#N)C1;IKXZBQAXNPSGMC-UHFFFAOYSA-N;124.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128777;MM128777;CCC1=NN=C(NC)C1;LKVFBKZRXRCTBN-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128778;MM128778;CC(NC=N)C1CN1;SZECMJPPWJCJQW-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128779;MM128779;C=NOC(C)C1CN1;TVOFRXQEOFBJQG-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128780;MM128780;C=CCC(C)C1CO1;GJYQBKGLEHZJAB-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128781;MM128781;CC(CC=O)C1CO1;OPRNICUYVVTNSP-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128782;MM128782;CC(CC#N)C1CO1;SZFRNPGMGWJQGP-UHFFFAOYSA-N;111.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128783;MM128783;C=CCC(O)C1CO1;VILPYGZJVYZDEW-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128784;MM128784;O=CCC(O)C1CO1;AUEJXGGZKCLESM-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128785;MM128785;N#CCC(O)C1CO1;XDMBBSQJLPLGGQ-UHFFFAOYSA-N;113.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128786;MM128786;CC(NC=N)C1CO1;VRJYZUIGMKKBLK-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128787;MM128787;CC(NC=O)C1CO1;HVRKDGSFPBWYJM-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128788;MM128788;C=NNC(C)C1CO1;JNFRQRZDTMRXAG-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128789;MM128789;C=COC(C)C1CO1;NPHNRLGYAXMOKB-UHFFFAOYSA-N;114.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128790;MM128790;CC(OC=O)C1CO1;MQJKUMFAQCNZCB-UHFFFAOYSA-N;116.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128791;MM128791;C=NOC(C)C1CO1;UCUHAEYBZVJJSJ-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128792;MM128792;CCC(=NO)NN1CC1;DHQIZFCGVCQJCX-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128793;MM128793;CC(CC#N)N1CC1;KMBJEVSXNIUPIH-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128794;MM128794;C#CCC(C)C1CC1;MYPYPQAUNJJZSG-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128795;MM128795;C#CCC(N)C1CC1;OZGPZCGZJAKLKJ-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128796;MM128796;ON=CNCCC=CF;PMMFGULEHPVKIG-UHFFFAOYSA-N;132.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128797;MM128797;C#CCN(C)C1CC1;SVURHILKMPRITB-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128798;MM128798;C#CCC(N)C1CN1;VFBCBHUAZNPCJH-UHFFFAOYSA-N;110.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128799;MM128799;C#CCC(F)C1CN1;XGLOHXKPUDDVFG-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128800;MM128800;C#CCC(C)C1CO1;GOKRNILFUJPANT-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128801;MM128801;C#CCC(N)C1CO1;IQKHIQXDBOPHBL-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128802;MM128802;C#CCC(O)C1CO1;YWXRTGZKSJCDDL-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128803;MM128803;C=C(CCC)C1CC1;LTTGGSUQUFBJQH-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128804;MM128804;C=C(CCN)C1CC1;AAOWOMJFVYYMAB-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128805;MM128805;CCC(C)(C)C(=N)NC=O;BJNYJHORDREBFC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128806;MM128806;C=C(CCF)C1CC1;QVWMRBOUPZUBSE-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128807;MM128807;CCCC(=O)C1CC1;BQZDDAHAABBWRC-UHFFFAOYSA-N;112.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128808;MM128808;O=C(CCO)C1CC1;TYQBCMVHINPOPS-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128809;MM128809;O=C(CCF)C1CC1;MEEIYKMNUWLZFE-UHFFFAOYSA-N;116.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128810;MM128810;C=C(CNC)C1CC1;JYBKJIKGTHNNNG-UHFFFAOYSA-N;111.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128811;MM128811;CNCC(=O)C1CC1;CKXIOQPTRNFMDU-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128812;MM128812;C=C(COC)C1CC1;ITWYIBQXWRIWKJ-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128813;MM128813;COCC(=O)C1CC1;SRUHSAYUENORGE-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128814;MM128814;CCNC(=N)C1CC1;MXYBWMOQFXIUGE-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128815;MM128815;CCNC(=O)C1CC1;WLQCOYYCNXROKF-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128816;MM128816;CNNC(=N)C1CC1;DKLMACYBQRWEHS-UHFFFAOYSA-N;113.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128817;MM128817;C=NOC(=N)NNC(N)=O;SEBUFMADDRHGSG-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128818;MM128818;CONC(=N)C1CC1;FNJCOGKKANNVJQ-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128819;MM128819;CONC(=O)C1CC1;ROYSUUHOZBPLBK-UHFFFAOYSA-N;115.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128820;MM128820;C=C(OCC)C1CC1;VVVFBBAAJUUDHR-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128821;MM128821;CCOC(=O)C1CC1;LDDOSDVZPSGLFZ-UHFFFAOYSA-N;114.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128822;MM128822;C=C(CCN)C1CN1;ZGQSTINODVFBHD-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128823;MM128823;CC(F)=CNC(=O)NC=N;WQAVKIVJFUZIEI-UHFFFAOYSA-N;145.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128824;MM128824;C=NNC(=O)CC(=O)NN;BNUDTCWVOMFEBH-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128825;MM128825;C=C(CNC)C1CN1;OGSDGBQWODXIMP-UHFFFAOYSA-N;112.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128826;MM128826;C=C(CC(=N)NC=O)OC;FKJUQNCQJPBDIP-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128827;MM128827;CCNC(=N)C1CN1;FACLUISYVKJQIZ-UHFFFAOYSA-N;113.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128828;MM128828;C=C(C=NN)NC(C)=NO;CQKLNHCPFNNLDR-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128829;MM128829;CNNC(=N)C1CN1;XPEMAPALLOCOKH-UHFFFAOYSA-N;114.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128830;MM128830;CC=CC(C)=CC(C)=NO;LANURAAGWFOOBI-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128831;MM128831;C=C(OCC)C1CN1;YHHFVLBBWDHZLR-UHFFFAOYSA-N;113.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128832;MM128832;CCOC(=O)C1CN1;LQCNSMGLNLPUIE-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128833;MM128833;C=C(CCC)C1CO1;ROWBOQYVIBEUKD-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128834;MM128834;C=C(CCN)C1CO1;HZUUOQAFOYQRCE-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128835;MM128835;C=C(CCO)C1CO1;JPFQRURGWFWIMZ-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128836;MM128836;C=C(CCF)C1CO1;LEAJMTOBAAFKKD-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128837;MM128837;CCCC(=O)C1CO1;FXYDTUFYSDVEDJ-UHFFFAOYSA-N;114.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128838;MM128838;O=C(CCO)C1CO1;XGQHTUXXKZGUPH-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128839;MM128839;C=C(CNC)C1CO1;MBLAABSONRPZLZ-UHFFFAOYSA-N;113.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128840;MM128840;C=C(COC)C1CO1;RZJZKNNEOCIHIA-UHFFFAOYSA-N;114.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128841;MM128841;COCC(=O)C1CO1;USGQYJQDMDAOAS-UHFFFAOYSA-N;116.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128842;MM128842;CCNC(=N)C1CO1;UTJCWBBGDWZBAD-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128843;MM128843;CCNC(=O)C1CO1;RKPHEZHHJNFVMC-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128844;MM128844;CNNC(=N)C1CO1;JTLXWBWWTOOXHU-UHFFFAOYSA-N;115.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128845;MM128845;C=CCCCC(=C)C=NO;HDWRDHAXOCSZDP-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128846;MM128846;Cn1n(N)c(=O)c(=O)n1O;ZLHXLULYJSBMPS-UHFFFAOYSA-N;146.11;-2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128847;MM128847;C=C(OCC)C1CO1;BPTMSSOVQMZVLJ-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128848;MM128848;CCCC(=N)N1CC1;HDXMBCHWDSYRBL-UHFFFAOYSA-N;112.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128849;MM128849;N=C(CCN)N1CC1;ALRLRXJGBYWFPC-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128850;MM128850;N=C(CCO)N1CC1;PUJPNSJNAOJMME-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128851;MM128851;N=C(CCF)N1CC1;LKYVHJRRGQQBEQ-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128852;MM128852;CCCC(=O)N1CC1;UFWIDNCIQKQRIJ-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128853;MM128853;NCCC(=O)N1CC1;HMDWTFTZFWSRDE-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128854;MM128854;O=C(CCO)N1CC1;ISCQXUWWTGAKBF-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128855;MM128855;O=C(CCF)N1CC1;PJULNWBZEQDQPB-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128856;MM128856;CNCC(=N)N1CC1;PVBASFBMPHOFGC-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128857;MM128857;CNCC(=O)N1CC1;YJMUKRUNYPCAHA-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128858;MM128858;COCC(=N)N1CC1;GWBYDZLDFLBEEI-UHFFFAOYSA-N;114.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128859;MM128859;COCC(=O)N1CC1;HFIUWQSXFSLUCA-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128860;MM128860;CCNC(=N)N1CC1;LEGBFWIDNKFQLQ-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128861;MM128861;CCNC(=O)N1CC1;VZGUMAHMHINIDC-UHFFFAOYSA-N;114.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128862;MM128862;CNNC(=N)N1CC1;NNGANYXPRFIPER-UHFFFAOYSA-N;114.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128863;MM128863;C=CC=C(F)CNC=NO;QRTAHYOODXMSHJ-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128864;MM128864;CONC(=N)N1CC1;QVHFOQWAEWHRRP-UHFFFAOYSA-N;115.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128865;MM128865;CONC(=O)N1CC1;DYAGYDSLLPLNOM-UHFFFAOYSA-N;116.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128866;MM128866;CCOC(=O)N1CC1;MGPDSKXOTDLPJE-UHFFFAOYSA-N;115.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128867;MM128867;C=CCC(=C)C1CC1;LTWWYPUHKWVTRM-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128868;MM128868;C=C(CC=O)C1CC1;DSTXDKFZAXIIJI-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128869;MM128869;C=C(CC#N)C1CC1;QOBXMMVERJFIIB-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128870;MM128870;C=CCC(=O)C1CC1;LKYSKDBRKRCIPD-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128871;MM128871;N#CCC(=O)C1CC1;SDARMQNRQJBGQE-UHFFFAOYSA-N;109.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128872;MM128872;C=C(NC=N)C1CC1;WYULFJCWNKGUCP-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128873;MM128873;C=C(NC=O)C1CC1;CNJYQJIORSACNC-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128874;MM128874;C=CNC(=N)C1CC1;KKKNQPJQHOLBGA-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128875;MM128875;N=CNC(=N)C1CC1;CUYOUHSYZKKZRX-UHFFFAOYSA-N;111.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128876;MM128876;COCC(C)C(=O)NC=N;NXYASGSKJIWJEE-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128877;MM128877;C=CNC(=O)C1CC1;PAXMYPBLYAFFOB-UHFFFAOYSA-N;111.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128878;MM128878;CN=CN(C)C(=O)NC=O;LXUXEHUREPRQTE-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128879;MM128879;O=CNC(=O)C1CC1;FTUJYXFWZHGHDJ-UHFFFAOYSA-N;113.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128880;MM128880;C=C(C(=NO)NN)C(C)O;NCHOJKJYNAJCIC-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128881;MM128881;C=COC(=C)C1CC1;CTPZTFUMLUEPBE-UHFFFAOYSA-N;110.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128882;MM128882;C=C(OC=O)C1CC1;DIDTVHBXUMRWIA-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128883;MM128883;C=COC(=O)C1CC1;USPVNSDVCUTNJN-UHFFFAOYSA-N;112.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128884;MM128884;O=COC(=O)C1CC1;ORDVEJHCXIDYEF-UHFFFAOYSA-N;114.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128885;MM128885;C=NOC(=O)C1CC1;OXFORCABZMCHHK-UHFFFAOYSA-N;113.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128886;MM128886;C=C(CC#N)C1CN1;PTKDKSQFMWESHZ-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128887;MM128887;CC(=N)N(C)C(=O)NC=O;KFLZKEBZXUAEKM-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128888;MM128888;C#CCCC(=O)NC=NC;OVFWBWUDZDWLEE-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128889;MM128889;C=C(NC=N)C1CN1;YPZMGFLHCGYKOB-UHFFFAOYSA-N;111.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128890;MM128890;C#CC(=O)NNCCC=C;GAKCVYUIDBNQIP-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128891;MM128891;C=CNC(=N)C1CN1;CCUKENRRNUGWBT-UHFFFAOYSA-N;111.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128892;MM128892;N=CNC(=N)C1CN1;VUQXDPVBGQYKSH-UHFFFAOYSA-N;112.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128893;MM128893;CC=CC(=NO)NC=CF;VDUFAMRNLBRWNS-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128894;MM128894;CCCN=C(CC)NC=O;RQIYNAWVTPBLIU-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128895;MM128895;CC1C=C(C#N)C(=N)N1O;BRLQIHCNLGHPMI-UHFFFAOYSA-N;137.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128896;MM128896;C=NN(C=N)C(=NO)NC;SPDGTQKIMZDRDQ-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128897;MM128897;COc1nc(C(C)C)c[nH]1;OXIOJSZCBCSVGC-UHFFFAOYSA-N;140.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128898;MM128898;C#CCc1c[nH]c(CF)n1;ZBSBSZVZGIJXNW-UHFFFAOYSA-N;138.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128899;MM128899;C=COC(=C)C1CN1;AXARUORHCBYGTM-UHFFFAOYSA-N;111.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128900;MM128900;C=C(OC=O)C1CN1;YDMVXOKMUXLBEJ-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128901;MM128901;C=COC(=O)C1CN1;LHDUGARKZCNNQJ-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128902;MM128902;O=COC(=O)C1CN1;PRVFZGKGHRPIHM-UHFFFAOYSA-N;115.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128903;MM128903;C=NOC(=O)C1CN1;IHEBHECWLMGNJR-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128904;MM128904;C=CCC(=C)C1CO1;RXXBGYIELICWCW-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128905;MM128905;C=C(CC=O)C1CO1;JUKZQAQPOTYCSU-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128906;MM128906;C=C(CC#N)C1CO1;GUVSQGPYGLDFPC-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128907;MM128907;C=CCC(=O)C1CO1;DXXCKCWOHFZSHR-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128908;MM128908;N#CCC(=O)C1CO1;HDOBIJPVRXAJEF-UHFFFAOYSA-N;111.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128909;MM128909;C=C(NC=N)C1CO1;LYUWJJJYZFOQNJ-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128910;MM128910;C=C(NC=O)C1CO1;JUZGPCNRTRNPDO-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128911;MM128911;C=CNC(=N)C1CO1;HSYJTABWYJBNMR-UHFFFAOYSA-N;112.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128912;MM128912;N=CNC(=N)C1CO1;SGQKIVSQHSLUJA-UHFFFAOYSA-N;113.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128913;MM128913;N=C(NC=O)C1CO1;YKJCUCYCDSHLLA-UHFFFAOYSA-N;114.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128914;MM128914;C=CNC(=O)C1CO1;KTYRJORWXPISDF-UHFFFAOYSA-N;113.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128915;MM128915;N=CNC(=O)C1CO1;FUEQUNUQTOXGQV-UHFFFAOYSA-N;114.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128916;MM128916;O=CNC(=O)C1CO1;KVZUOPHZOLNRQU-UHFFFAOYSA-N;115.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128917;MM128917;C=CCC1=CC(=NO)CN1;PEPIAWLANNGEGX-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128918;MM128918;C=NNC(=O)C1CO1;LUNCIRRYRKKNAP-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128919;MM128919;C=COC(=C)C1CO1;WXLUYBVJKAWZFP-UHFFFAOYSA-N;112.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128920;MM128920;C=C(OC=O)C1CO1;QFRSNEHPJAKKOQ-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128921;MM128921;C=COC(=O)C1CO1;ALLIGOPNSGBARM-UHFFFAOYSA-N;114.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128922;MM128922;O=COC(=O)C1CO1;NZIYRLFDSCLUMK-UHFFFAOYSA-N;116.07;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128923;MM128923;C=NOC(=O)C1CO1;NVRLOZJSGYKWRE-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128924;MM128924;N=C(CC=O)N1CC1;BPQYOOSUWDUDBT-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128925;MM128925;N#CCC(=N)N1CC1;FYQLWFSFMYFYFL-UHFFFAOYSA-N;109.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128926;MM128926;C=CCC(=O)N1CC1;DRLQUNJHPZLGGG-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128927;MM128927;O=CCC(=O)N1CC1;JPGXLGSDKGFNKQ-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128928;MM128928;N#CCC(=O)N1CC1;CTZKYBOHIAVFRR-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128929;MM128929;C=CNC(=N)N1CC1;UIFDMFFPGAGQBL-UHFFFAOYSA-N;111.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128930;MM128930;N=CNC(=N)N1CC1;AXVBIEYRWUOIJZ-UHFFFAOYSA-N;112.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128931;MM128931;N=C(NC=O)N1CC1;AOJRLFDDZLMWPT-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128932;MM128932;C=CNC(=O)N1CC1;FXARQOOIUJJBTL-UHFFFAOYSA-N;112.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128933;MM128933;C#CCC#CCNC=NO;YKSVWXURNOVSEB-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128934;MM128934;O=CNC(=O)N1CC1;CDYQOCJLMAWYJH-UHFFFAOYSA-N;114.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128935;MM128935;C=NNC(=N)N1CC1;DDKDFTFKVZXJBM-UHFFFAOYSA-N;112.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128936;MM128936;C=NNC(=O)N1CC1;JHDSOTGFBBEROS-UHFFFAOYSA-N;113.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128937;MM128937;C=NOC(=N)N1CC1;DFAFQGISHGCNJZ-UHFFFAOYSA-N;113.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128938;MM128938;C=NOC(=O)N1CC1;SLMRLLHNIROLKU-UHFFFAOYSA-N;114.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128939;MM128939;C#CCC(=C)C1CC1;KBYKCGDIJYFRQD-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128940;MM128940;C#CCC(=O)C1CC1;OROOJSFKLGTKER-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128941;MM128941;C=CC(=O)NC(C)=N;OPOBCFMVOQJTOI-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128942;MM128942;C#CCC(=C)C1CO1;OYKRSQGHBVLZML-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128943;MM128943;C#CCC(=O)C1CO1;YDCXMBHJDRYPCL-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128944;MM128944;C#CCC(=N)N1CC1;DFAMKTACVIQBIQ-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128945;MM128945;C#CCC(=O)N1CC1;BFZKFOFUBRDSPE-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128946;MM128946;CC=CC(C)C1CC1;OSJRXFVMPDNWCV-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128947;MM128947;CC(C=CF)C1CC1;OILOFJGFVPKIDA-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128948;MM128948;CC=CC(N)C1CC1;ZGOIUZNBMAQYSK-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128949;MM128949;NC(C=CF)C1CC1;CGBRBLZDFGUHLK-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128950;MM128950;C=C(C=NO)CCC;RCOMKVCPCFYDQZ-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128951;MM128951;OC(C=CF)C1CC1;KRUJSPIHFHPWEZ-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128952;MM128952;CC=CC(F)C1CC1;NKDYQGCWYZHNIJ-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128953;MM128953;FC=CC(F)C1CC1;AOALVQUYAVHNGE-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128954;MM128954;CC(C=NN)C1CC1;VPEAOKFRTCXYLI-UHFFFAOYSA-N;112.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128955;MM128955;CC(C=NO)C1CC1;GGGINUGSQIXGCL-UHFFFAOYSA-N;113.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128956;MM128956;NC(C=NO)C1CC1;NFZCWPPWULZCJS-UHFFFAOYSA-N;114.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128957;MM128957;CCC(=O)NC=NC;BZQKSQSRJOAYPC-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128958;MM128958;CN=CN(C)C1CC1;JNGMNKQRPSWWPX-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128959;MM128959;CN(C=NN)C1CC1;RESSRWQHXVUNRQ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128960;MM128960;CCC(=NC)NC=O;CZBMCLRYMCRAGX-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128961;MM128961;CN=CN(N)C1CC1;OGCBBVWZOKKDQN-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128962;MM128962;CC1C=CC(=NO)C1;SPNUHYOBCPRAKV-UHFFFAOYSA-N;111.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128963;MM128963;CC1=CC(=NO)NC1;ZDDGLAUFEAFHRD-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128964;MM128964;ON=CN(O)C1CC1;NOMUSNVFHWBEFV-UHFFFAOYSA-N;116.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128965;MM128965;CC=NN(C)C1CC1;ABGFTYHKRYERGS-UHFFFAOYSA-N;112.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128966;MM128966;CC=CC(N)C1CN1;PBBCPODUGQUUML-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128967;MM128967;NC(C=CF)C1CN1;BHRXEHWGXHMGIL-UHFFFAOYSA-N;116.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128968;MM128968;FC=CC(F)C1CN1;TYAFLOIHMXCJEV-UHFFFAOYSA-N;119.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128969;MM128969;CC=CC(C)C1CO1;XJUMVRJYGLWMGF-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128970;MM128970;CC(C=CF)C1CO1;LBJSPANZWIENIJ-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128971;MM128971;CC=CC(N)C1CO1;UTTXJKCRXTXUII-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128972;MM128972;NC(C=CF)C1CO1;OLTMFUZPCQVFDB-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128973;MM128973;CC(C=NN)C1CO1;IGAOKYAXTPZPCD-UHFFFAOYSA-N;114.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128974;MM128974;CC(C=NO)C1CO1;ZYGTXHNCWIWDIZ-UHFFFAOYSA-N;115.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128975;MM128975;CC1(C)C=CC(=NO)C1;MBFWUJIPVXMDBO-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128976;MM128976;C#CC(C=NO)ON=CC;FFDJUDABJAPEEK-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128977;MM128977;CC(C=CF)N1CC1;XDSJZOVOGNJLJO-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128978;MM128978;CC(C=NN)N1CC1;YXJHUJDBPBKCLF-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128979;MM128979;CC(C=NO)N1CC1;GUKVVASYCNKLOV-UHFFFAOYSA-N;114.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128980;MM128980;CN=CN(C)N1CC1;IXPKERZERWICDT-UHFFFAOYSA-N;113.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128981;MM128981;C=C(C=CC)C1CC1;ZZEBYMFPTOOJNZ-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128982;MM128982;C=C(C=CF)C1CC1;WZTASTXEUDCQIJ-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128983;MM128983;CC=CC(=O)C1CC1;YAVNVCTYRCDELQ-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128984;MM128984;NC=CC(=O)C1CC1;YPNBTMNIZOOCRL-UHFFFAOYSA-N;111.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128985;MM128985;O=C(C=CF)C1CC1;USYYVDPOWFKGCB-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128986;MM128986;C=C(C=NN)C1CC1;PTTCTMUPGODRBU-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128987;MM128987;C=C(C=NO)C1CC1;JCUXWPWKOXBREU-UHFFFAOYSA-N;111.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128988;MM128988;CC(CO)C(=N)NC=O;AWGYUVHEJSOYRW-UHFFFAOYSA-N;130.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128989;MM128989;CC(=NO)N(N)CCO;BDJPWPIPAQKEIK-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128990;MM128990;CC1(C(=O)NC=O)CN1;AEECFJRQXVHERR-UHFFFAOYSA-N;128.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128991;MM128991;C=C(C=CC)C1CO1;UCAGAWWIBOMRSH-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128992;MM128992;C=C(C=CF)C1CO1;DZYCQOQICMZPIB-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128993;MM128993;CC=CC(=O)C1CO1;GKRUKDSPSHOZFZ-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128994;MM128994;NC=CC(=O)C1CO1;BDIQPGKOJXRQLL-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128995;MM128995;O=C(C=CF)C1CO1;MWHKYISQIAYURZ-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128996;MM128996;C=C(C=NN)C1CO1;LZUCWSTUKIQJCV-UHFFFAOYSA-N;112.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128997;MM128997;CC=CC(=N)N1CC1;QNSMFNUTGFJDIU-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128998;MM128998;N=C(C=CN)N1CC1;NZPLOAVXISWBJG-UHFFFAOYSA-N;111.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM128999;MM128999;N=C(C=CF)N1CC1;NFSOIGYTPMBEDF-UHFFFAOYSA-N;114.12;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129000;MM129000;CC=CC(=O)N1CC1;IEMKJKFJNDTLDB-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129001;MM129001;CC1C(F)=CC(=N)N1O;SOGNGRRVMKOWTE-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129002;MM129002;O=C(C=CF)N1CC1;QDWPAOCOMGMINV-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129003;MM129003;C#CCCNNC=NO;BZNNDLBWQXGFHE-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129004;MM129004;O=C(C=NO)N1CC1;OYWVXUINRWSGMP-UHFFFAOYSA-N;114.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129005;MM129005;CC#CC(C)C1CC1;ARWDCXLKKUQGKI-UHFFFAOYSA-N;108.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129006;MM129006;CC#CC(N)C1CC1;QZNRWNOWVSSEFI-UHFFFAOYSA-N;109.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129007;MM129007;CC#CC(O)C1CC1;ZIMITGVICCWLSP-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129008;MM129008;CC#CC(F)C1CC1;CJGFSWZQTQAVKV-UHFFFAOYSA-N;112.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129009;MM129009;CC#CC(F)C1CN1;QCMSHOKRUOSWDC-UHFFFAOYSA-N;113.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129010;MM129010;CC#CC(C)C1CO1;KDGBMKQGOOWPHK-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129011;MM129011;CC#CC(N)C1CO1;CUFCXXLLZKZAKU-UHFFFAOYSA-N;111.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129012;MM129012;CC#CC(O)C1CO1;XRUCPTMVEAEQTL-UHFFFAOYSA-N;112.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129013;MM129013;CC#CC(F)C1CO1;OXULBGFPPAJWFU-UHFFFAOYSA-N;114.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129014;MM129014;CC#CC(C)N1CC1;KJMIGJKNXLPYKG-UHFFFAOYSA-N;109.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129015;MM129015;C=C(C#CC)C1CC1;HEFJVPVOMSXLTH-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129016;MM129016;CC#CC(=O)C1CC1;IPWNBXNFIXJMGO-UHFFFAOYSA-N;108.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129017;MM129017;C=C(C#CC)C1CN1;RWEVWWWDACECKD-UHFFFAOYSA-N;107.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129018;MM129018;CC(C)=CCC(=O)NC=N;IHKSQGFJNIIQKE-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129019;MM129019;C=C(C#CC)C1CO1;ZILRLRKSHSFHBC-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129020;MM129020;CC#CC(=O)C1CO1;OZISWIYSBJSUMS-UHFFFAOYSA-N;110.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129021;MM129021;CC#CC(=N)N1CC1;MCMSQSFYINGDHB-UHFFFAOYSA-N;108.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129022;MM129022;CC#CC(=O)N1CC1;TWMWNDLSOJAFOX-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129023;MM129023;CCC=C(C)C1CC1;AJPXDKRIZIBKAC-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129024;MM129024;CC(=CCN)C1CC1;SZBNBKLLXYCYES-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129025;MM129025;CC(=CCO)C1CC1;RBCONQUKWBEKDK-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129026;MM129026;CC(=CCF)C1CC1;JHCZXDMNAZSCHL-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129027;MM129027;CCC=C(F)C1CC1;DJTKBTCUOWMCEF-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129028;MM129028;NCC=C(F)C1CC1;TVFQUKDUZXMAHM-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129029;MM129029;OCC=C(F)C1CC1;VRBXDYZRQQSYPR-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129030;MM129030;FCC=C(F)C1CC1;RTISNHBDGRSKOS-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129031;MM129031;COC=C(C)C1CC1;CYVUCOYJTYWOAH-UHFFFAOYSA-N;112.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129032;MM129032;COC=C(F)C1CC1;OHJJSVUNVHNLSZ-UHFFFAOYSA-N;116.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129033;MM129033;CNN=C(C)C1CC1;VVPVYNWPTGKQAS-UHFFFAOYSA-N;112.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129034;MM129034;CON=C(C)C1CC1;HZHYCACNYTVHIZ-UHFFFAOYSA-N;113.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129035;MM129035;CC(=CCN)C1CN1;XXLHYQFCEPBLBH-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129036;MM129036;CCC=C(F)C1CN1;NJRKSHFONXKKGL-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129037;MM129037;NCC=C(F)C1CN1;KUFOHAJAZUDXDD-UHFFFAOYSA-N;116.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129038;MM129038;C=C(CO)CC(=O)NC=N;XQBHEHACKHUZRQ-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129039;MM129039;FCC=C(F)C1CN1;MEAQYVWHMYIOII-UHFFFAOYSA-N;119.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129040;MM129040;COC=C(F)C1CN1;QFMGDDLPECFAOY-UHFFFAOYSA-N;117.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129041;MM129041;CNN=C(C)C1CN1;IUPYBVODFGZHMV-UHFFFAOYSA-N;113.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129042;MM129042;CON=C(C)C1CN1;UCYCCVGXUWSVBU-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129043;MM129043;CCC=C(C)C1CO1;FDIMLBZUBXNJPX-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129044;MM129044;CC(=CCN)C1CO1;SMQIXBWGATZKSN-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129045;MM129045;CCC=C(F)C1CO1;CGOGVOWUBRXKKU-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129046;MM129046;NCC=C(F)C1CO1;NEDNGOKQZOQQJR-UHFFFAOYSA-N;117.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129047;MM129047;OCC=C(F)C1CO1;BOKFYTQDIHIJHA-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129048;MM129048;COC=C(C)C1CO1;TYSLXCSICOLKOR-UHFFFAOYSA-N;114.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129049;MM129049;COC=C(F)C1CO1;GRWKLQOORHIBJY-UHFFFAOYSA-N;118.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129050;MM129050;CNN=C(C)C1CO1;LRPHCJJFDIUAQJ-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129051;MM129051;CON=C(C)C1CO1;WGMBZQKQLRCVPX-UHFFFAOYSA-N;115.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129052;MM129052;CCN=C(C)N1CC1;OEEDRNMIMDAHOP-UHFFFAOYSA-N;112.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129053;MM129053;CNN=C(C)N1CC1;NLNMRBAMGWKGTJ-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129054;MM129054;C=CC=C(C)C1CC1;BBLGCIHIXUVYFY-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129055;MM129055;CC(=CC=O)C1CC1;DNIDVQZACMZNDX-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129056;MM129056;CC(=CC#N)C1CC1;MTFZWTPUUNJSOL-UHFFFAOYSA-N;107.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129057;MM129057;NC(=CC=O)C1CC1;MJUGHLPMNAUAGH-UHFFFAOYSA-N;111.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129058;MM129058;N#CC=C(N)C1CC1;VKEFDICNEDBFBO-UHFFFAOYSA-N;108.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129059;MM129059;C=CC=C(F)C1CC1;ATYCRRBURLKNTP-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129060;MM129060;O=CC=C(F)C1CC1;UMOWGPOQJZYRQZ-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129061;MM129061;N#CC=C(F)C1CC1;QABDNDRAKSMTRA-UHFFFAOYSA-N;111.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129062;MM129062;C=NN=C(C)C1CC1;WYTLGBZCXRZMNR-UHFFFAOYSA-N;110.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129063;MM129063;CC(=CC#N)C1CN1;MARMNTLDJUCQIV-UHFFFAOYSA-N;108.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129064;MM129064;NC(=CC=O)C1CN1;IURBWIDLRCXEMP-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129065;MM129065;N#CC=C(N)C1CN1;AHNCEZRNVKKBMS-UHFFFAOYSA-N;109.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129066;MM129066;C=CC=C(F)C1CN1;AXFOYWXRIVEDCD-UHFFFAOYSA-N;113.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129067;MM129067;N#CC=C(F)C1CN1;KHGIXODNYAJLJT-UHFFFAOYSA-N;112.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129068;MM129068;C=NN=C(C)C1CN1;QLBLUOLMJAWAIB-UHFFFAOYSA-N;111.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129069;MM129069;C=CC=C(C)C1CO1;PLDPICGEXAXVSC-UHFFFAOYSA-N;110.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129070;MM129070;CC(=CC=O)C1CO1;DELAPHIUVODCOJ-UHFFFAOYSA-N;112.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129071;MM129071;CC(=CC#N)C1CO1;ZKZKLIUJDRLFCN-UHFFFAOYSA-N;109.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129072;MM129072;NC(=CC=O)C1CO1;WXKODJGPIYIGHA-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129073;MM129073;N#CC=C(N)C1CO1;PHIOHQWKJLYCJM-UHFFFAOYSA-N;110.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129074;MM129074;C=CC=C(F)C1CO1;WCGNNKQKKFFWIX-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129075;MM129075;O=CC=C(F)C1CO1;WEGFXBZBKBDUEU-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129076;MM129076;N#CC=C(F)C1CO1;SHILTNVOTFVPSM-UHFFFAOYSA-N;113.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129077;MM129077;C=NN=C(C)C1CO1;OTOSGKHVCVZZLL-UHFFFAOYSA-N;112.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129078;MM129078;CC(=CC=O)N1CC1;CFRHYELBBRXTBF-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129079;MM129079;CC(=CC#N)N1CC1;BKFUMYGYVBYPRU-UHFFFAOYSA-N;108.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129080;MM129080;NC(=CC=O)N1CC1;GCSSYFCPFUHQES-UHFFFAOYSA-N;112.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129081;MM129081;N#CC=C(N)N1CC1;QENXBTFYCPPYOM-UHFFFAOYSA-N;109.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129082;MM129082;CC(=NC=N)N1CC1;SXWHEKRPWUTLAR-UHFFFAOYSA-N;111.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129083;MM129083;CC(=NC=O)N1CC1;QXJMVXJZQNWMTB-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129084;MM129084;C=NN=C(C)N1CC1;ILUFYZRITYYNLM-UHFFFAOYSA-N;111.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129085;MM129085;C#CC=C(C)C1CC1;MYNBSDYJZCUALS-UHFFFAOYSA-N;106.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129086;MM129086;C#CC=C(F)C1CC1;UUHIZCAAJRAJFH-UHFFFAOYSA-N;110.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129087;MM129087;C#CC=C(F)C1CN1;CQIBSSITYSNAHP-UHFFFAOYSA-N;111.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129088;MM129088;C#CC=C(C)C1CO1;WHXKBODZBFGCBM-UHFFFAOYSA-N;108.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129089;MM129089;C#CC=C(F)C1CO1;IDHJXABUNQQDRC-UHFFFAOYSA-N;112.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129090;MM129090;C#CC1C(N)CN1C;JIMUJQXADCMMBP-UHFFFAOYSA-N;110.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129091;MM129091;CCC12CCCC1C2;JUIIUCVSXXGZEK-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129092;MM129092;NCC12CCCC1C2;FQNPNNZQNACGSV-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129093;MM129093;C=C(C=O)CC(=N)NC=O;SFCGNWSWEQANAE-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129094;MM129094;CNC12CCCC1C2;JINYONWSAOJESY-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129095;MM129095;CCC12CNCC1C2;ZAPBJKNMYYDVGK-UHFFFAOYSA-N;111.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129096;MM129096;NCC12CNCC1C2;MXNMMCMHFJOWBY-UHFFFAOYSA-N;112.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129097;MM129097;CNC12CNCC1C2;JGZDZICTZTYVII-UHFFFAOYSA-N;112.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129098;MM129098;CCC12COCC1C2;VOXRCZMYLAQAEP-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129099;MM129099;NCC12COCC1C2;GFWCRAOJLDHNKN-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129100;MM129100;CNC12COCC1C2;RZVBXEJZEHSMEM-UHFFFAOYSA-N;113.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129101;MM129101;CCC12CCNC1C2;HNKCLFDMGYCIAR-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129102;MM129102;NCC12CCNC1C2;MUMZTDKUOYOHHA-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129103;MM129103;CNC12CCNC1C2;ZKHYONDNWZHHFH-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129104;MM129104;CCC12CCOC1C2;PFTSIXQJSHSBSE-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129105;MM129105;NCC12CCOC1C2;ZOXYOSGPZUWRQR-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129106;MM129106;CCC12CC1CCN2;FRYWEFMVMAXUTJ-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129107;MM129107;NCC12CC1CCN2;FBCFTLNHFHGEBC-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129108;MM129108;CCC12CC1CCO2;RBKXTMSQDHNRLP-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129109;MM129109;NCC12CCCC1N2;GMJIYTHZQFAQHS-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129110;MM129110;CCC12CNCC1N2;BKXMUQRNARMVLD-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129111;MM129111;NCC12CNCC1N2;ONOPJMQFLSYRTC-UHFFFAOYSA-N;113.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129112;MM129112;CCC12COCC1N2;OCIXPBIJAABQOV-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129113;MM129113;CCC12CCCC1O2;DLFPLZKTWMGRPM-UHFFFAOYSA-N;112.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129114;MM129114;CCC12CNCC1O2;SEOURYMHEZIBTB-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129115;MM129115;CCC12COCC1O2;YXZGTXSEJSRJOH-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129116;MM129116;CCC12CCCN1C2;MPEJVPMTHORFRD-UHFFFAOYSA-N;111.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129117;MM129117;NCC12CCCN1C2;DEWPWUYQKLJXTK-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129118;MM129118;O=CC12CCCC1C2;OCKUKGINJJSJHU-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129119;MM129119;N#CC12CCCC1C2;WZMKNKUWNYXOEJ-UHFFFAOYSA-N;107.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129120;MM129120;C=CC12CNCC1C2;ODBRJOKFKGNPPW-UHFFFAOYSA-N;109.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129121;MM129121;O=CC12CNCC1C2;VAFOYPTVYKKVGE-UHFFFAOYSA-N;111.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129122;MM129122;N#CC12CNCC1C2;ZMMHJHWUKIEUJA-UHFFFAOYSA-N;108.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129123;MM129123;C=CC12COCC1C2;MDCAIVCTHWAYPJ-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129124;MM129124;O=CC12COCC1C2;BTMRTZQGZHCQLQ-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129125;MM129125;N#CC12COCC1C2;WWXNYUFXNNSKRX-UHFFFAOYSA-N;109.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129126;MM129126;C=CC12CCNC1C2;RPVUZNHPKXQTBD-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129127;MM129127;C=CC12CCOC1C2;OIZJNPZDWJAGGF-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129128;MM129128;N#CC12CCOC1C2;HOWZILGSGYSDRM-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129129;MM129129;C=CC12CC1CCN2;KEKMXSDRTLXNPH-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129130;MM129130;C=CC12CC1CCO2;DNVNYOHLSWZBCZ-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129131;MM129131;N#CC12CC1CCO2;HXWRQTMPKUPISW-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129132;MM129132;O=CC12CCCC1N2;NNRFLIMKPPKQAS-UHFFFAOYSA-N;111.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129133;MM129133;C=CC12CNCC1N2;SYNIDBNPZHODRR-UHFFFAOYSA-N;110.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129134;MM129134;C=CC12COCC1N2;QAKMDYDYWPMDEX-UHFFFAOYSA-N;111.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129135;MM129135;C=CC12CNCC1O2;HODIUSTVWLWPPI-UHFFFAOYSA-N;111.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129136;MM129136;C=CC12COCC1O2;KKZOPLAMWOGPPV-UHFFFAOYSA-N;112.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129137;MM129137;C=CC12CCCN1C2;IUQGRTFRLRCOEQ-UHFFFAOYSA-N;109.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129138;MM129138;C#CC12CCCC1C2;PBSSYJXOKNUXRH-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129139;MM129139;C#CC12CNCC1C2;AFTJJOBLQKEHAM-UHFFFAOYSA-N;107.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129140;MM129140;C#CC12COCC1C2;XEMQPPJQXWWENG-UHFFFAOYSA-N;108.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129141;MM129141;C#CC12CCNC1C2;RUKDXDPBWMIWHN-UHFFFAOYSA-N;107.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129142;MM129142;C#CC12CCOC1C2;SABWPUWZBZKPNR-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129143;MM129143;C#CC12CC1CCN2;GTAVSJNMHQCOPJ-UHFFFAOYSA-N;107.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129144;MM129144;C#CC12CC1CCO2;HQVSLULORLTSOE-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129145;MM129145;C#CC12CC1OCO2;XGCJUJZBPBEICL-UHFFFAOYSA-N;110.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129146;MM129146;CCC12CC=CC1C2;OOERSQZYOMTTNO-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129147;MM129147;NCC12CC=CC1C2;YBXPRGOULKSVHT-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129148;MM129148;C#CC(C)CN(N)C=NO;YHNAAUNYLSIZGQ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129149;MM129149;CNC12CC=CC1C2;AAUFLQNTLZJPBH-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129150;MM129150;COC12CC=CC1C2;CKQFMKUMBFYCDO-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129151;MM129151;CCC12CC1C=NN2;JQFNRWSZDGQISS-UHFFFAOYSA-N;110.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129152;MM129152;CCC12CC1N=CN2;RUZMCPSWRFIDQR-UHFFFAOYSA-N;110.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129153;MM129153;CCC12CC1C=CO2;RBDZGGWWZZAYSZ-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129154;MM129154;NCC12CC1C=CO2;UBTOCTBPSDCIEM-UHFFFAOYSA-N;111.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129155;MM129155;CCC12CC1C=NO2;MSYVNOFJZQSWTH-UHFFFAOYSA-N;111.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129156;MM129156;NCC12CC=CC1N2;IGTNZNDWZXOSCN-UHFFFAOYSA-N;110.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129157;MM129157;C=CC(C)N=C(C)NC=O;ZIBYWIDYZZIWGB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129158;MM129158;CCC12CC=CC1O2;KMFAJKVZXPTXJB-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129159;MM129159;NCC12CC=CC1O2;HPOAZJVDJLWAAV-UHFFFAOYSA-N;111.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129160;MM129160;C=CC12CC=CC1C2;WQUXTHTXPCVOHE-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129161;MM129161;C=CC12CC1C=NN2;RWLDSZLUSZOHHB-UHFFFAOYSA-N;108.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129162;MM129162;CN(C)NC(=O)C(=N)NO;OSYQNYYMZLRPOB-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129163;MM129163;CN=C(CC(C)C)NC=O;HJORPDXUNJOCDZ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129164;MM129164;NC(=O)NC=NC=CCF;RNNBIDLBYKYFKG-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129165;MM129165;C=CC12CC1C=CO2;NFBULFVMTHZNSS-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129166;MM129166;N#CC12CC1C=CO2;JKXZRGGBEYTPRX-UHFFFAOYSA-N;107.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129167;MM129167;C=CC12CC1C=NO2;SRHAXJSHFMQXBM-UHFFFAOYSA-N;109.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129168;MM129168;CCC=CCC(=O)NC=N;BEHRYEASUNLLHO-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129169;MM129169;C=CC12CC=CC1N2;GRXTYYRKFPCQIT-UHFFFAOYSA-N;107.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129170;MM129170;O=CC12CC=CC1N2;RZFGLQOUIRGPGJ-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129171;MM129171;N#CC12CC=CC1N2;XRXBIGBGCFGJDY-UHFFFAOYSA-N;106.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129172;MM129172;C=CC12CC=CC1O2;WBAGYZQIXGVYBW-UHFFFAOYSA-N;108.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129173;MM129173;O=CC12CC=CC1O2;AEOQTBXHWCPEEM-UHFFFAOYSA-N;110.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129174;MM129174;N#CC12CC=CC1O2;NKKUIJNCEFDFBU-UHFFFAOYSA-N;107.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129175;MM129175;CC(C=CF)N(C)C=NO;QQEHGYZHFJRCFS-UHFFFAOYSA-N;146.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129176;MM129176;C#CC12CC1C=CO2;RDVNZJCTELXXNQ-UHFFFAOYSA-N;106.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129177;MM129177;C#CC12CC1C=NO2;OKEXNROHGDNYAV-UHFFFAOYSA-N;107.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129178;MM129178;C#CC12CC=CC1N2;UPGQTVPSHWXUFR-UHFFFAOYSA-N;105.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129179;MM129179;C#CC12CC=CC1O2;OHGJBQPXKBMTAY-UHFFFAOYSA-N;106.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129180;MM129180;C#CC12CC=NN1C2;JNQQCPGVKBTNOH-UHFFFAOYSA-N;106.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129181;MM129181;CON=C(N)C(O)C(N)=O;SAYIMOPYBAILTH-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129182;MM129182;NC1CC2CC2C1O;WBGQKPPSDZZVSE-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129183;MM129183;CC1C(O)CC2OC21;HGVAKCSOLSSZOT-UHFFFAOYSA-N;114.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129184;MM129184;CC1C(N)CN2CC12;UYCYWCAICPDGNW-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129185;MM129185;NC1CN2CC2C1N;KHERBRJRABGAAE-UHFFFAOYSA-N;113.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129186;MM129186;CC1C(=NO)C=CC1(C)C;LIRLYDNTLFJEPN-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129187;MM129187;CN1C(=N)CC2CC21;XKYVYBCKAGWTIO-UHFFFAOYSA-N;110.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129188;MM129188;CN1C(=O)CC2CC21;NRJKMRXBEVOYKK-UHFFFAOYSA-N;111.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129189;MM129189;N=C1CC2CC2N1N;IVDDRQULGJOOCP-UHFFFAOYSA-N;111.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129190;MM129190;NN1C(=O)CC2CC21;KNDQLGDWBJQIAI-UHFFFAOYSA-N;112.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129191;MM129191;N=C1CC2CC2N1O;YJGCORFMEQRGAY-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129192;MM129192;N=C(CF)NNC(=O)NN;FYSZEYHEKRHXGF-UHFFFAOYSA-N;149.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129193;MM129193;C=C1CN2CC2C1C;AMONYLXYNSSAKG-UHFFFAOYSA-N;109.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129194;MM129194;C=NN(C)C1CC1(O)C#N;AFJVGLBDLFSFRE-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129195;MM129195;C=NN1CCC(O)(C#N)C1;NDDCYPJLYLHLRQ-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129196;MM129196;CN1C(=N)CC2CN21;VGUAGQLZBQWHQH-UHFFFAOYSA-N;111.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129197;MM129197;CN1C(=O)CC2CN21;IPVSOLVIAGNWQX-UHFFFAOYSA-N;112.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129198;MM129198;C=C1C(C)CC2CC12;REAXRBWVXYYJIT-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129199;MM129199;C=C1C(N)CC2CC12;AQBDKUBBLDFVPR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129200;MM129200;N=CN1CC(O)(C=O)C=N1;WLHRAPSPEICDFQ-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129201;MM129201;C=C1C(F)CC2CC12;DFEYLUMRLXRPNU-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129202;MM129202;CC1CC2CC2C1=O;PGRCWJBXTSRPIF-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129203;MM129203;O=C1C(O)CC2CC12;DYIHUDDZNACHPS-UHFFFAOYSA-N;112.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129204;MM129204;O=C1C(F)CC2CC12;BYKSMCVIBIPVTP-UHFFFAOYSA-N;114.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129205;MM129205;CN1CC2CC2C1=N;VLOUAZLNFFIVSQ-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129206;MM129206;N=C1C2CC2CN1N;ULZDKWUEXLBBBM-UHFFFAOYSA-N;111.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129207;MM129207;N=C1C2CC2CN1O;PWBCBUMHCXZXGT-UHFFFAOYSA-N;112.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129208;MM129208;CN1CC2CC2C1=O;DFVMHYWYOGFIQK-UHFFFAOYSA-N;111.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129209;MM129209;NN1CC2CC2C1=O;KKOHTTCCEUVSAZ-UHFFFAOYSA-N;112.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129210;MM129210;C=C1C(F)CC2NC12;SOLQDBKQJMOKDS-UHFFFAOYSA-N;113.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129211;MM129211;CCCCC(=O)NC=NC;OKOASWNXTUJPOF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129212;MM129212;C=CC(F)=CCNC=NO;MUNRQWGXGXZZLF-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129213;MM129213;CN1CC2NC2C1=N;WUDKWSPVGGFRIE-UHFFFAOYSA-N;111.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129214;MM129214;N=C1C2NC2CN1N;WMRLUMXWPPYVMI-UHFFFAOYSA-N;112.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129215;MM129215;C=CNC(=NO)N(N)C=O;ZCKILJKUQQGWBU-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129216;MM129216;C=CCCC(=NC)NC=O;KTRARHXAHCTVIQ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129217;MM129217;O=C1C(F)CC2OC12;SJVOOSAXTBRSGP-UHFFFAOYSA-N;116.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129218;MM129218;CN1CC2OC2C1=N;ZDUZGUMXXONZLA-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129219;MM129219;CN1CC2OC2C1=O;SZYKYOATWJZYMK-UHFFFAOYSA-N;113.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129220;MM129220;O=CC=CNC(=NO)NO;XYRRVHVREQYTFY-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129221;MM129221;CC1CC2CN2C1=N;PHAXTBAPTDFMRI-UHFFFAOYSA-N;110.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129222;MM129222;N=C1C(N)CC2CN12;HJMJJUCXHVVJDQ-UHFFFAOYSA-N;111.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129223;MM129223;N=C1C(O)CC2CN12;SDXGHUSGKPIBLP-UHFFFAOYSA-N;112.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129224;MM129224;CC1CC2CN2C1=O;OVRXODWOGSFWSH-UHFFFAOYSA-N;111.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129225;MM129225;O=C1C(O)CC2CN12;GMCWSZKMXDZVGX-UHFFFAOYSA-N;113.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129226;MM129226;O=C1C(F)CC2CN12;VLRWVHOTJKDMMY-UHFFFAOYSA-N;115.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129227;MM129227;CN1CC2CN2C1=N;YMQNTRCWLBOJHZ-UHFFFAOYSA-N;111.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129228;MM129228;N=C1N(N)CC2CN12;HFYJWZDKTZXREL-UHFFFAOYSA-N;112.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129229;MM129229;N=C1N(O)CC2CN12;CYTQQSJOWDFNBX-UHFFFAOYSA-N;113.12;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129230;MM129230;CN1CC2CN2C1=O;JVHQLHBLABOSQG-UHFFFAOYSA-N;112.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129231;MM129231;NN1CC2CN2C1=O;AFVOHSBPSUKXGK-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129232;MM129232;O=C1N(O)CC2CN12;CDPLPLIGVSFMNQ-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129233;MM129233;C=C1CC2CC2C1=C;GQDVWXBQVYAVGO-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129234;MM129234;C=C1C(=O)CC2CC12;JTFRARUFRAABGU-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129235;MM129235;C=C1CC2CC2C1=O;JHMHXAVDNBLTKB-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129236;MM129236;O=C1CC2CC2C1=O;ZMLQRKSEIJLCLK-UHFFFAOYSA-N;110.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129237;MM129237;C#CC(=NO)N(C)CCO;LSZGSGJUZUDCAQ-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129238;MM129238;CCC=C1C=CC(=NO)C1;XIKAEBKFNWFWMA-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129239;MM129239;NC=CC1=NOC(=NN)C1;SDFRMUCPZFJELG-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129240;MM129240;C=C1CC2OC2C1=C;GSQHXWUHTNFMFX-UHFFFAOYSA-N;108.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129241;MM129241;C=C1C(=O)CC2OC12;YMZOPMIKZLCNSN-UHFFFAOYSA-N;110.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129242;MM129242;C=C1CC2OC2C1=O;KETPBZGMLUPNLC-UHFFFAOYSA-N;110.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129243;MM129243;O=C1CC2OC2C1=O;OGIHIIPDPHZLGO-UHFFFAOYSA-N;112.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129244;MM129244;C=CCC1=CC(=NO)CC1;OIBCNLHIFGPBLD-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129245;MM129245;C=C1CC2CN2C1=N;XBKMEDDTWJYKJM-UHFFFAOYSA-N;108.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129246;MM129246;CC=CC1=CC(=NO)NC1;XWSZJNJYLQDPHW-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129247;MM129247;C=C1CC2CN2C1=O;CMECCSJVAAZYOU-UHFFFAOYSA-N;109.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129248;MM129248;O=C1CC2CN2C1=O;KLIXGDFCUWDPEA-UHFFFAOYSA-N;111.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129249;MM129249;CC1=C(C)C2CC2C1;HUQAOJAGUFKCDO-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129250;MM129250;CC1=C(F)CC2CC12;LXMFEHUYLRYSEJ-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129251;MM129251;CC1=C(F)C2CC2C1;FEYCZUSENIZMLP-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129252;MM129252;FC1=C(F)C2CC2C1;ZEBWGWRQKLPDLE-UHFFFAOYSA-N;116.11;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129253;MM129253;CC1=C(F)CC2NC12;CYMHIPSQNRSUHA-UHFFFAOYSA-N;113.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129254;MM129254;CC1=C(F)C2NC2C1;MNSXBYKUHYRIMQ-UHFFFAOYSA-N;113.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129255;MM129255;FC1=C(F)C2NC2C1;SMTFESGVXUQNCL-UHFFFAOYSA-N;117.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129256;MM129256;CC1=C(C)C2OC2C1;WSWZHMCCBOWFBC-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129257;MM129257;CC1=C(F)CC2OC12;XJBBUSOIMWHRLB-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129258;MM129258;CC1=C(F)C2OC2C1;POZDUQYHRYAVOM-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129259;MM129259;FC1=C(F)C2OC2C1;JCBRTUQJHUUQAR-UHFFFAOYSA-N;118.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129260;MM129260;CCC1CC2CC2C1;WWDABSPKHWIPAN-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129261;MM129261;NCC1CC2CC2C1;IVXUSTIZICCQBG-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129262;MM129262;N=CN=CNC=O;QDDYZOLSQGIJIY-UHFFFAOYSA-N;99.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129263;MM129263;FCC1CC2CC2C1;XKVHTGCECWSOIN-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129264;MM129264;CNC1CC2CC2C1;CEZIHBBMICNRJI-UHFFFAOYSA-N;111.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129265;MM129265;COC1CC2CC2C1;PIVVOXLGFFAWKX-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129266;MM129266;CCC1CC2CC2N1;LTHIALLSPRIDMC-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129267;MM129267;NCC1CC2CC2N1;DMRWZKBMURSFMP-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129268;MM129268;OCC1CC2CC2N1;ATOUVICHTLDTFN-UHFFFAOYSA-N;113.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129269;MM129269;CCC1CC2CC2O1;RQGMPLLBXXPFGN-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129270;MM129270;NCC1CC2CC2O1;IGEZLOSUWNPRTF-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129271;MM129271;OCC1CC2CC2O1;NUDYDCVPJREHAF-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129272;MM129272;CCC1OC2CC2O1;UWLZJKMFTMYXRW-UHFFFAOYSA-N;114.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129273;MM129273;NCC1OC2CC2O1;XRYFYRJIQGQPNC-UHFFFAOYSA-N;115.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129274;MM129274;OCC1OC2CC2O1;VBHCKXDKDFAEJU-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129275;MM129275;CCN1CC2CC2C1;JDAFADIGSWFDNX-UHFFFAOYSA-N;111.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129276;MM129276;NCC1CC2NC2C1;KQQZTIWCUQWRHS-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129277;MM129277;CNC1CC2NC2C1;JOORPLWOGJLXBD-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129278;MM129278;CCC1CC2OC2C1;PTTGXCWXVYMEBV-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129279;MM129279;NCC1CC2OC2C1;DXJLNAMTWXULMD-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129280;MM129280;OCC1CC2OC2C1;ZWMXHPOWONDHGL-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129281;MM129281;CNC1CC2OC2C1;OXSVQKXAVVADCY-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129282;MM129282;COC1CC2OC2C1;QHQAZHKRUYCGIJ-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129283;MM129283;CCC1CC2CN2C1;CHWSIBZDCHAOIO-UHFFFAOYSA-N;111.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129284;MM129284;NCC1CC2CN2C1;RVMGYQNNPITBQD-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129285;MM129285;ON=C1CCCN1;LWHAOTMEDNFAEN-UHFFFAOYSA-N;100.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129286;MM129286;CNC1CC2CN2C1;IQEMCRCWWJYACZ-UHFFFAOYSA-N;112.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129287;MM129287;COC1CC2CN2C1;JQXJBLLQNYMMLQ-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129288;MM129288;C=CC1CC2CC2N1;FAMXNPOYDCGYEW-UHFFFAOYSA-N;109.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129289;MM129289;C=CC1CC2CC2O1;LYVAKFROECZTIB-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129290;MM129290;C=CC1OC2CC2O1;MKHFSRVNSZIDBY-UHFFFAOYSA-N;112.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129291;MM129291;N#CC1OC2CC2O1;NAERLHKXEWJWSN-UHFFFAOYSA-N;111.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129292;MM129292;N=CN1CC2CC2C1;SPCYUIGFJKEBNI-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129293;MM129293;O=CN1CC2CC2C1;CSHVAQCQVCDPRR-UHFFFAOYSA-N;111.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129294;MM129294;C=NN1CC2CC2C1;IVKQKBVDSZLJGF-UHFFFAOYSA-N;110.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129295;MM129295;N=CN1CC2CC2N1;URCXNWWDOZOAIK-UHFFFAOYSA-N;111.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129296;MM129296;O=CN1CC2CC2N1;OKBOQQLQENWMQI-UHFFFAOYSA-N;112.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129297;MM129297;O=CN1CC2CC2O1;SJGDYSIZROJXBZ-UHFFFAOYSA-N;113.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129298;MM129298;N=CN1CC2NC2C1;IWEUOJKPOXAZNN-UHFFFAOYSA-N;111.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129299;MM129299;O=CN1CC2NC2C1;PTFULYNSILZFGI-UHFFFAOYSA-N;112.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129300;MM129300;C=NN1CC2NC2C1;YXVOBQLRSVGDCU-UHFFFAOYSA-N;111.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129301;MM129301;C=CC1CC2OC2C1;APCBHJGMYINDHP-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129302;MM129302;N=CN1CC2OC2C1;JUSGYTKSRXNAMX-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129303;MM129303;O=CN1CC2OC2C1;FLKOVTJHHMGIIO-UHFFFAOYSA-N;113.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129304;MM129304;C=NN1CC2OC2C1;CQIRXHDULOVKNY-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129305;MM129305;C=CC1CC2CN2C1;VNNKTVSCGPWSCY-UHFFFAOYSA-N;109.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129306;MM129306;C#CC1CC2CC2C1;UJLFRBXBHIJSQK-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129307;MM129307;C#CC1OC2CC2O1;QHMUCOXJQNTABZ-UHFFFAOYSA-N;110.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129308;MM129308;C#CC1CC2OC2C1;GKTDBFRSVGNVSG-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129309;MM129309;CC=C1CC2CC2C1;OMUHDWJOCQZNMT-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129310;MM129310;FC=C1CC2CC2C1;ZIIIOQFCKJRKNF-UHFFFAOYSA-N;112.15;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129311;MM129311;NN=C1CC2CC2C1;VHSCVQHWFLOLSA-UHFFFAOYSA-N;110.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129312;MM129312;ON=C1CC2CC2C1;BPQAOTJGFCBDRV-UHFFFAOYSA-N;111.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129313;MM129313;CN=C1CC2CC2N1;FBGSYOZWXGAWMA-UHFFFAOYSA-N;110.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129314;MM129314;NN=C1CC2CC2N1;DCMSTLMKTIDIDF-UHFFFAOYSA-N;111.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129315;MM129315;CN=CN=CNC=O;KGCDTVSDXIRXQE-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129316;MM129316;CC=C1CC2CC2O1;FXJHSDYRIBAKLG-UHFFFAOYSA-N;110.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129317;MM129317;FC=C1CC2CC2O1;RBTULEKBOKGRHM-UHFFFAOYSA-N;114.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129318;MM129318;N=CNC(=O)C1CC1;JSZBMDUIKZYMPZ-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129319;MM129319;ON=C1CC2CC2O1;PGELCGGXTMMFNB-UHFFFAOYSA-N;113.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129320;MM129320;CN=C1NC2CC2N1;KSYAFFSOSOFUIN-UHFFFAOYSA-N;111.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129321;MM129321;NN=C1NC2CC2N1;QVXLKDYCCKKJJX-UHFFFAOYSA-N;112.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129322;MM129322;ON=C1NC2CC2O1;LHMXLQDGATYROA-UHFFFAOYSA-N;114.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129323;MM129323;NN(C=NO)C1CC1;VHOYPPUPEZPHOS-UHFFFAOYSA-N;115.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129324;MM129324;ON=C1OC2CC2O1;TUBJIGNAPKWJQP-UHFFFAOYSA-N;115.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129325;MM129325;CC=C1CC2OC2C1;QWOLYJIAPICASF-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129326;MM129326;FC=C1CC2OC2C1;VJOJQLFDNMOCAR-UHFFFAOYSA-N;114.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129327;MM129327;NN=C1CC2OC2C1;DZIRVFVJXVNLNJ-UHFFFAOYSA-N;112.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129328;MM129328;ON=C1CC2OC2C1;YLBTXVJDRFSZNK-UHFFFAOYSA-N;113.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129329;MM129329;CC=C1CC2CN2C1;VZWQKGQNMPXYIA-UHFFFAOYSA-N;109.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129330;MM129330;FC=C1CC2CN2C1;AOZGUUXERQGRJL-UHFFFAOYSA-N;113.14;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129331;MM129331;CN=C1CC2CN2N1;NJOQULAQGLGBOF-UHFFFAOYSA-N;111.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129332;MM129332;C=C(F)CNC(C)=NO;WGSLJZRSEUYSRO-UHFFFAOYSA-N;132.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129333;MM129333;CCC1=CC2CC2C1;CXFYWQZPWHSBND-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129334;MM129334;NCC1=CC2CC2C1;MRHDMXBVUFUTRR-UHFFFAOYSA-N;109.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129335;MM129335;OCC1=CC2CC2C1;QUKROTIJPVIATG-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129336;MM129336;FCC1=CC2CC2C1;UNTWKLATVYJASG-UHFFFAOYSA-N;112.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129337;MM129337;COC1=CC2CC2C1;DFSILHJOTZFZPN-UHFFFAOYSA-N;110.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129338;MM129338;OCC1=NC2CC2N1;ULYRBBFLNBAUON-UHFFFAOYSA-N;112.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129339;MM129339;FCC1=NC2CC2N1;BCYYUEWXVMVGSL-UHFFFAOYSA-N;114.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129340;MM129340;CNC1=NC2CC2N1;KSYAFFSOSOFUIN-UHFFFAOYSA-N;111.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129341;MM129341;NNC1=NC2CC2N1;QVXLKDYCCKKJJX-UHFFFAOYSA-N;112.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129342;MM129342;NCC1=CC2NC2C1;VFTCDOFTJGGRIQ-UHFFFAOYSA-N;110.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129343;MM129343;C=CC(C)C=CC=NO;HLFCGIQPXASAHK-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129344;MM129344;COC1=CC2NC2C1;DKTZZKOBNTWZMW-UHFFFAOYSA-N;111.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129345;MM129345;CCC1=CC2OC2C1;OIAQXLARZFUACX-UHFFFAOYSA-N;110.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129346;MM129346;NCC1=CC2OC2C1;CCAWNWVDFMCGQE-UHFFFAOYSA-N;111.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129347;MM129347;OCC1=CC2OC2C1;ZKDKMXGTABTGMG-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129348;MM129348;FCC1=CC2OC2C1;JVRUYSGZSZOAPX-UHFFFAOYSA-N;114.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129349;MM129349;COC1=CC2OC2C1;JJUIEZQPCQYSKK-UHFFFAOYSA-N;112.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129350;MM129350;CCC1=NN2CC2C1;PJBVWPJQVHPIOO-UHFFFAOYSA-N;110.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129351;MM129351;C=CC(N)C(=O)NC=O;ZUSZICCTIAFZQX-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129352;MM129352;FCC1=NN2CC2C1;OAGZCRGWOVUGJM-UHFFFAOYSA-N;114.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129353;MM129353;COC1=NN2CC2C1;SAHJZKZZHKYNPP-UHFFFAOYSA-N;112.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129354;MM129354;COC1=CC2CN2C1;CDMQNJKGFLPFFI-UHFFFAOYSA-N;111.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129355;MM129355;C=CC1=CC2CC2C1;MBMMLSKARCXTCZ-UHFFFAOYSA-N;106.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129356;MM129356;O=CC1=CC2CC2C1;DJMBGNUMPODJJU-UHFFFAOYSA-N;108.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129357;MM129357;N#CC1=CC2CC2C1;FGCSUOOLYPDFAV-UHFFFAOYSA-N;105.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129358;MM129358;C=CC1=NC2CC2N1;SQDUMNLMTSOYON-UHFFFAOYSA-N;108.14;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129359;MM129359;C=NNC1CC1(O)C#N;ZECVBVHNISRUIQ-UHFFFAOYSA-N;125.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129360;MM129360;C=CC1=CC2CC2O1;JVDLUFGZGFTQNK-UHFFFAOYSA-N;108.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129361;MM129361;O=CC1=CC2NC2C1;AFCGUOIZDRGJDV-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129362;MM129362;N#CC1=CC2NC2C1;GUPZVHJSGRHLPV-UHFFFAOYSA-N;106.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129363;MM129363;C=CC1=CC2OC2C1;FODSPBNPSIJFRW-UHFFFAOYSA-N;108.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129364;MM129364;O=CC1=CC2OC2C1;COONVPUKWSJVFL-UHFFFAOYSA-N;110.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129365;MM129365;N#CC1=CC2OC2C1;ZVGHVKYJZOCPJG-UHFFFAOYSA-N;107.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129366;MM129366;O=CC1=CN2CC2C1;DLHKFWBGIBWNTF-UHFFFAOYSA-N;109.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129367;MM129367;N#CC1=CN2CC2C1;STHUSKJZFUITEX-UHFFFAOYSA-N;106.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129368;MM129368;C=CC1=NN2CC2C1;DRLDATCYAFDMIK-UHFFFAOYSA-N;108.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129369;MM129369;O=CC1=NN2CC2C1;MUMVJORAVWEFEB-UHFFFAOYSA-N;110.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129370;MM129370;N#CC1=NN2CC2C1;MKQYVGWFTORODU-UHFFFAOYSA-N;107.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129371;MM129371;C#CC1=CC2CC2C1;IPEIURKCFPUDLA-UHFFFAOYSA-N;104.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129372;MM129372;C#CC1=CC2OC2C1;PXRMMZRXWRAUIZ-UHFFFAOYSA-N;106.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129373;MM129373;C#CC1=NN2CC2C1;YRUVUWISFTXNCI-UHFFFAOYSA-N;106.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129374;MM129374;CC1CC1CC1CC1;JHQZDNDZIXRBAM-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129375;MM129375;NC1CC1CC1CC1;POCCCLAVTVCKBM-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129376;MM129376;C=C(C)C(CCC)=NO;BWBQLOQXPLEIII-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129377;MM129377;FC1CC1CC1CC1;OKUOUWPHWJMDGQ-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129378;MM129378;CC1CC1NC1CC1;UNUJVRZHOBDWHE-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129379;MM129379;NC1CC1NC1CC1;BLPOBUOPVNGJNN-UHFFFAOYSA-N;112.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129380;MM129380;OC1CC1NC1CC1;PJJMIPYSLWBIQA-UHFFFAOYSA-N;113.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129381;MM129381;CC1CC1OC1CC1;VJCHQUYMZHKCJG-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129382;MM129382;NC1CC1OC1CC1;OSFFBFZYOVTJCZ-UHFFFAOYSA-N;113.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129383;MM129383;OC1CC1OC1CC1;OWJHEMAWHDDVBT-UHFFFAOYSA-N;114.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129384;MM129384;FC1CC1OC1CC1;GJMUJQFZMYOSFT-UHFFFAOYSA-N;116.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129385;MM129385;NC1CC1CC1CN1;GNXFBZXGNKEBOO-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129386;MM129386;CC1CC1CC1CO1;KXNILOYJBNDRKI-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129387;MM129387;NC1CC1CC1CO1;XILAHIIOQBJOOJ-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129388;MM129388;OC1CC1CC1CO1;LCLCVXDAFNRCSN-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129389;MM129389;FC1CC1CC1CO1;DELSKYMEKTYFQN-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129390;MM129390;CC1OC1CC1CC1;LNSXLQYEOFBCAK-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129391;MM129391;CC1OC1CC1CO1;HCOQMVCSJHVNFP-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129392;MM129392;NC1CC1CN1CC1;TYISXBOTVLHVBK-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129393;MM129393;CC1OC1CN1CC1;IVDMPTMZPZWWFY-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129394;MM129394;CN1CC1CN1CC1;FRAKYKRKLFRZSM-UHFFFAOYSA-N;112.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129395;MM129395;CC1CN1CC1CO1;SOYHPMLVSIKOMG-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129396;MM129396;CC1CC1C1CC1C;JCWYNHDQENAJLN-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129397;MM129397;CC1CC1C1CC1N;OTLOLMBVTOTLKH-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129398;MM129398;CC1=C(F)CN(N)C1=O;JTDKPZDQLJGVQW-UHFFFAOYSA-N;130.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129399;MM129399;CC1CC1C1CC1F;CZWOVVRYFVGTCV-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129400;MM129400;NC1CC1C1CC1N;DFATYSWFJADSLU-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129401;MM129401;NC1CC1C1CC1O;BJKSTDIGXZTZCX-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129402;MM129402;NC1CC1C1CC1F;KQVSLIPCTPIGGT-UHFFFAOYSA-N;115.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129403;MM129403;FC1CC1C1CC1F;DLWOFXLAGXKWBA-UHFFFAOYSA-N;118.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129404;MM129404;CC1NC1C1CC1N;TWEHNSSTFRTOOT-UHFFFAOYSA-N;112.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129405;MM129405;CC1CC1C1OC1C;MVGKKRZBKPCKDK-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129406;MM129406;CC1OC1C1CC1N;YNAUTRHQPXPOQT-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129407;MM129407;CC1OC1C1CC1O;FCAKUKJXXHEHQI-UHFFFAOYSA-N;114.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129408;MM129408;CC1OC1C1CC1F;NKUDOJXGMUEXIP-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129409;MM129409;CC1OC1C1OC1C;SINVKWSLMGHBSX-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129410;MM129410;CN1CC1C1CC1N;KZVRKGBPBHGFNG-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129411;MM129411;Cc1c(N)[nH]c(O)c1C;JBYKTGWEGFYPAG-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129412;MM129412;CN1CC1C1CC1F;JGZYCDUECZJAHM-UHFFFAOYSA-N;115.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129413;MM129413;CC1OC1C1CN1C;PFWPYHWVYZJUTC-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129414;MM129414;CN1CC1C1CN1C;CLDNSOQBWBDBCB-UHFFFAOYSA-N;112.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129415;MM129415;CC1CN1C1CC1N;FIMCLXFMWOOFIX-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129416;MM129416;C=NNC1=NN=C(C)C1;PEZBWCQUKOLQDX-UHFFFAOYSA-N;124.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129417;MM129417;CC1CN1C1CC1F;KHYKEWJZJAKLCT-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129418;MM129418;NC12CC3CC3C1C2;VBBCWHPPHHGAQO-UHFFFAOYSA-N;109.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129419;MM129419;CC(=NC1CC1)NC=O;NTHCQQSWYRFVOS-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129420;MM129420;FC12CC3CC3C1C2;ANXALQIVNIIWKM-UHFFFAOYSA-N;112.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129421;MM129421;NC12CC3NC3C1C2;LYBPQTMWVURWHO-UHFFFAOYSA-N;110.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129422;MM129422;CC12CC3CC3C1O2;QNBABRWBJJYWPF-UHFFFAOYSA-N;110.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129423;MM129423;CC12CC3OC3C1O2;KATFZBOQZKMABO-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129424;MM129424;CC12CC3CN3C1C2;HEIRLDRSMKPEPC-UHFFFAOYSA-N;109.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129425;MM129425;CC(C)C(C)C1CC1;JSDZSLGMRRSAHD-UHFFFAOYSA-N;112.22;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129426;MM129426;CC(N)C(C)C1CC1;ASXDQGGMFHKHCZ-UHFFFAOYSA-N;113.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129427;MM129427;CC1C=CC(=NO)C1C;NHELKFNDAOJRHN-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129428;MM129428;CC(F)C(C)C1CC1;MBRCWTAKFKWMFX-UHFFFAOYSA-N;116.18;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129429;MM129429;CC(N)C(N)C1CC1;DITHKURTSULQHF-UHFFFAOYSA-N;114.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129430;MM129430;CC(O)C(N)C1CC1;CHRYNINFOVNRFL-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129431;MM129431;CC(N)C(O)C1CC1;MSQUUYLLUXIAIU-UHFFFAOYSA-N;115.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129432;MM129432;CC(C1CC1)N(C)C;IGYGHGSKQUOPRA-UHFFFAOYSA-N;113.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129433;MM129433;CC(C)N(C)C1CC1;AFHFOACROHQPEQ-UHFFFAOYSA-N;113.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129434;MM129434;CC(N)C(C)C1CN1;GYUFOXGWBJAZGW-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129435;MM129435;CC(C)C(N)C1CN1;JPUGFZUBWJPBLY-UHFFFAOYSA-N;114.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129436;MM129436;CC(N)C(N)C1CN1;WOECEDKVENKTFT-UHFFFAOYSA-N;115.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129437;MM129437;CC(O)C(N)C1CN1;UYIWOBFKSDTTKR-UHFFFAOYSA-N;116.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129438;MM129438;CC(F)C(N)C1CN1;CLQDXZBYKCKZMO-UHFFFAOYSA-N;118.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129439;MM129439;CC(C1CN1)N(C)C;UCRGMBINESQUPZ-UHFFFAOYSA-N;114.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129440;MM129440;CC(C)C(C)C1CO1;AFQRTZMHQZXZIW-UHFFFAOYSA-N;114.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129441;MM129441;CC(N)C(C)C1CO1;OVIDYOHRGIRVAM-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129442;MM129442;CC(O)C(C)C1CO1;JNSRAYMVEFZDCY-UHFFFAOYSA-N;116.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129443;MM129443;CC(F)C(C)C1CO1;TVFKDCVAEMOAGM-UHFFFAOYSA-N;118.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129444;MM129444;CC(C)C(N)C1CO1;SUNOWVSVIJWMHY-UHFFFAOYSA-N;115.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129445;MM129445;CC(N)C(N)C1CO1;RVQZQJUQGOVUMA-UHFFFAOYSA-N;116.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129446;MM129446;CC(O)C(N)C1CO1;VMGCTMZDVOBPQU-UHFFFAOYSA-N;117.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129447;MM129447;CC(F)C(N)C1CO1;DMUPFVNRQUHCKB-UHFFFAOYSA-N;119.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129448;MM129448;CC(C1CO1)N(C)C;AIYUDAHLYVUJKG-UHFFFAOYSA-N;115.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129449;MM129449;CC(F)C(C)N1CC1;DEJGWQGJQPCGTN-UHFFFAOYSA-N;117.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129450;MM129450;C=C(C)C(C)C1CC1;NYFBVWOCRKZCIY-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129451;MM129451;CC(=O)C(C)C1CC1;PQNJFTBDGGXZHE-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129452;MM129452;CC(C(=N)N)C1CC1;QTAHMYBLQCCJSD-UHFFFAOYSA-N;112.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129453;MM129453;COC1=NNC(=N)C1C;FFDKVAXMRLCICI-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129454;MM129454;CC(C(=O)O)C1CC1;AMOJMSPUYHSMKI-UHFFFAOYSA-N;114.14;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129455;MM129455;C=C(F)C(C)C1CC1;HBGKJCMRJILFIG-UHFFFAOYSA-N;114.16;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129456;MM129456;C=C(C)C(N)C1CC1;UQUGEWKEWOGSPH-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129457;MM129457;N=C(N)C(N)C1CC1;REENHUYCHAMMJL-UHFFFAOYSA-N;113.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129458;MM129458;NC(=O)C(N)C1CC1;LSDBHHOICLCJIL-UHFFFAOYSA-N;114.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129459;MM129459;C=C(F)C(N)C1CC1;NOCWWUZLDYXUAF-UHFFFAOYSA-N;115.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129460;MM129460;CNC1=NC(C#N)CO1;DNYANONGXHJFEB-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129461;MM129461;CC(=O)C(O)C1CC1;AITXHMCSPQJASZ-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129462;MM129462;N=C(N)C(O)C1CC1;OSDUPXBZEFLFSB-UHFFFAOYSA-N;114.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129463;MM129463;C=C(F)C(O)C1CC1;DDAHMAQDVVGUDJ-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129464;MM129464;CC(=O)N(C)C1CC1;NAWYVTFBTSYBFZ-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129465;MM129465;CN(C(=N)N)C1CC1;VQEFBYVSVOJUQJ-UHFFFAOYSA-N;113.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129466;MM129466;CN(C(N)=O)C1CC1;MQBHQCAEEIVRMO-UHFFFAOYSA-N;114.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129467;MM129467;CCC1=CC(=NO)CN1;UOBDHVHSEXIYFS-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129468;MM129468;CC(=N)N(O)C1CC1;YWMMKTJRKUQVEH-UHFFFAOYSA-N;114.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129469;MM129469;N=C(N)N(O)C1CC1;WJNOMEPJGSVALV-UHFFFAOYSA-N;115.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129470;MM129470;NC(=O)N(O)C1CC1;HAOSQMZTWBVEGE-UHFFFAOYSA-N;116.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129471;MM129471;CC(C(=N)N)C1CN1;GQSVYCZRTQHSQG-UHFFFAOYSA-N;113.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129472;MM129472;C=C(C)C(N)C1CN1;ILGSGIJYNAYEQV-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129473;MM129473;N=C(N)C(N)C1CN1;OSUCLZLOJXYBPB-UHFFFAOYSA-N;114.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129474;MM129474;N=C(N)C(O)C1CN1;WYJXFSUOHUCIPM-UHFFFAOYSA-N;115.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129475;MM129475;C=C(C)C(C)C1CO1;PLCGBIRHQFZQNI-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129476;MM129476;CC(=O)C(C)C1CO1;KZWIXTOKRVVRKT-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129477;MM129477;CC(C(=N)N)C1CO1;LXFBFISCUNCKAO-UHFFFAOYSA-N;114.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129478;MM129478;CC(C(N)=O)C1CO1;KOHQJDSLKFGDFB-UHFFFAOYSA-N;115.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129479;MM129479;C#Cc1nc(=O)n(O)n1N;BNRCHGXYRSNTHW-UHFFFAOYSA-N;140.1;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129480;MM129480;C=C(F)C(C)C1CO1;QDRUOTAECRQTMJ-UHFFFAOYSA-N;116.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129481;MM129481;C=C(C)C(N)C1CO1;CDCMPVAEBYAPNN-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129482;MM129482;N=C(N)C(N)C1CO1;UUOVZLVOWLKLED-UHFFFAOYSA-N;115.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129483;MM129483;CC(=O)C(O)C1CO1;PLWCHCOPVRDYOG-UHFFFAOYSA-N;116.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129484;MM129484;N=C(N)C(O)C1CO1;IJPRXNORXVGDIL-UHFFFAOYSA-N;116.12;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129485;MM129485;NC(=O)C(O)C1CO1;CVWFZEIPEVFJNO-UHFFFAOYSA-N;117.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129486;MM129486;N#CC#CC(=O)CC=O;OYWRESJATKOQMJ-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129487;MM129487;C=C(F)C(O)C1CO1;PCBWWJKVFJWMOE-UHFFFAOYSA-N;118.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129488;MM129488;C=CC#Cc1ncc[nH]1;QHNVIXSJZCUJEC-UHFFFAOYSA-N;118.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129489;MM129489;CC(C(=N)N)N1CC1;QXJJCOJHFLTWGW-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129490;MM129490;CCN=CN=CNC=O;FWIQKPWIVPPKNK-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129491;MM129491;O=c1ccc(=O)n(O)o1;CJPGWILZCCQONP-UHFFFAOYSA-N;129.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129492;MM129492;C=C(F)C(C)N1CC1;YQVDIXREQSFXSF-UHFFFAOYSA-N;115.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129493;MM129493;CC(=N)N(C)N1CC1;WLHOYWDMRAYNOA-UHFFFAOYSA-N;113.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129494;MM129494;CC(=O)N(C)N1CC1;LRPDGXWTPNJYLP-UHFFFAOYSA-N;114.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129495;MM129495;CN(C(=N)N)N1CC1;CLIKDMUZKHKHEE-UHFFFAOYSA-N;114.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129496;MM129496;CC(=NC(C)(C)C)NC=O;KKRDGEFQSZULKM-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129497;MM129497;C=C(C(C)C)C1CC1;ISMFOBHMADMIFL-UHFFFAOYSA-N;110.2;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129498;MM129498;C=C(C(C)N)C1CC1;JREIYERUQKOJFT-UHFFFAOYSA-N;111.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129499;MM129499;C=CC(C)(C)C=CC=NO;MZWURNZXLVIQCL-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129500;MM129500;C=C(C(C)F)C1CC1;PUKYYVIWRMFMSD-UHFFFAOYSA-N;114.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129501;MM129501;C=C(C(F)F)C1CC1;YOBSCUFOPXRNDT-UHFFFAOYSA-N;118.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129502;MM129502;CC(C)C(=O)C1CC1;CKABARUORCUAGG-UHFFFAOYSA-N;112.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129503;MM129503;CC(O)C(=O)C1CC1;IVUQGEMSSKDLDQ-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129504;MM129504;CN(C)C(=N)C1CC1;NMXQUMZGXPVJBQ-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129505;MM129505;CN(N)C(=N)C1CC1;BZMYOIQETOIPMJ-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129506;MM129506;CN(O)C(=N)C1CC1;XKRHGKSLQJFLFL-UHFFFAOYSA-N;114.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129507;MM129507;CN(C)C(=O)C1CC1;DVQLGAFYVKJEDE-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129508;MM129508;CN(N)C(=O)C1CC1;WBWJRDHRSVAKQQ-UHFFFAOYSA-N;114.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129509;MM129509;CN(O)C(=O)C1CC1;AFZDBFVYTYLPQJ-UHFFFAOYSA-N;115.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129510;MM129510;C=C(C(C)N)C1CN1;IPHVAAQFUGHLDA-UHFFFAOYSA-N;112.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129511;MM129511;C=C(C(F)F)C1CN1;YDQLISGXLWFQHG-UHFFFAOYSA-N;119.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129512;MM129512;CC(O)C=CN(C)C=NO;UKXBCCFTERAVNX-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129513;MM129513;CC(C)=CCC(=N)NC=O;ZVPGZNUEJWEUAJ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129514;MM129514;CN(C)C(=N)C1CN1;XAZSYXXYXHVJNU-UHFFFAOYSA-N;113.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129515;MM129515;CN(N)C(=N)C1CN1;FCSMBMLFTXPWCI-UHFFFAOYSA-N;114.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129516;MM129516;CN(C)C(=O)C1CN1;LIMYSEHFIGWVSO-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129517;MM129517;NNC(=O)NC=CC(F)F;DXLLDSXLXASVGF-UHFFFAOYSA-N;151.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129518;MM129518;C=C(C(C)C)C1CO1;FKGIAGUVBDJMKO-UHFFFAOYSA-N;112.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129519;MM129519;C=C(C(C)N)C1CO1;JPOILZPWDVMBQK-UHFFFAOYSA-N;113.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129520;MM129520;C=C(C(C)O)C1CO1;XWZZFALYTPPMNR-UHFFFAOYSA-N;114.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129521;MM129521;C=C(C(C)F)C1CO1;XVIUCSMKKYFZFC-UHFFFAOYSA-N;116.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129522;MM129522;C=C(C(F)F)C1CO1;MBPYKZZIWGZDPY-UHFFFAOYSA-N;120.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129523;MM129523;CC(C)C(=O)C1CO1;HRZJVKJSQHCWOS-UHFFFAOYSA-N;114.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129524;MM129524;CN(C)C(=N)C1CO1;ISTUOAVAJGFUGS-UHFFFAOYSA-N;114.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129525;MM129525;CN(N)C(=N)C1CO1;UZWNXGHAXADQGW-UHFFFAOYSA-N;115.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129526;MM129526;CN(C)C(=O)C1CO1;TWJNWOLYCNIGAF-UHFFFAOYSA-N;115.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129527;MM129527;CC(=CF)CN(C)C=NO;HLEQOWCCEPCDTQ-UHFFFAOYSA-N;146.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129528;MM129528;CC(C)C(=N)N1CC1;JPLNPMSEVOYGHQ-UHFFFAOYSA-N;112.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129529;MM129529;CC(N)C(=N)N1CC1;VLERGMIVXQBUNI-UHFFFAOYSA-N;113.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129530;MM129530;CC(O)C(=N)N1CC1;KPEJLTKSAPGKGC-UHFFFAOYSA-N;114.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129531;MM129531;N=C(C(F)F)N1CC1;HQMGNOFITVGHRS-UHFFFAOYSA-N;120.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129532;MM129532;CC(C)C(=O)N1CC1;ZCYVBYQBOWLNBU-UHFFFAOYSA-N;113.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129533;MM129533;CC(O)C(=O)N1CC1;CCESXHNUPQVOKL-UHFFFAOYSA-N;115.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129534;MM129534;CC(F)C(=O)N1CC1;YRSAUSGXADUOPV-UHFFFAOYSA-N;117.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129535;MM129535;CN(C)C(=N)N1CC1;LADQZMWPMCJORI-UHFFFAOYSA-N;113.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129536;MM129536;CN(N)C(=N)N1CC1;IJMFAVQNVLRVEZ-UHFFFAOYSA-N;114.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129537;MM129537;CN(O)C(=N)N1CC1;LIZBEMUGYUPILH-UHFFFAOYSA-N;115.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129538;MM129538;CN(C)C(=O)N1CC1;ZCOGQSHZVSZAHH-UHFFFAOYSA-N;114.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129539;MM129539;CN(N)C(=O)N1CC1;DDHSCGSSFDEVCY-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129540;MM129540;CN(O)C(=O)N1CC1;WCUDQUYIENFKJK-UHFFFAOYSA-N;116.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129541;MM129541;C=C(C)C(=C)C1CC1;DGZCQBMWYRORIS-UHFFFAOYSA-N;108.18;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129542;MM129542;C=C(C(C)=O)C1CC1;AFDWCFIDYMLHDA-UHFFFAOYSA-N;110.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129543;MM129543;CC(=NC(C)CO)NC=O;UCOIXHRDIGMSAV-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129544;MM129544;C=C(C(=O)O)C1CC1;QDJSZVRLBGARTP-UHFFFAOYSA-N;112.13;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129545;MM129545;C=C(F)C(=C)C1CC1;BKSOHVSYJCNXKW-UHFFFAOYSA-N;112.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129546;MM129546;CC(=O)C(=O)C1CC1;LYGCEXZUGZMYCQ-UHFFFAOYSA-N;112.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129547;MM129547;N=C(N)C(=O)C1CC1;QBBFFRVWVDTJGX-UHFFFAOYSA-N;112.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129548;MM129548;NC(=O)C(=O)C1CC1;CWJGJYVZUJEBFS-UHFFFAOYSA-N;113.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129549;MM129549;O=c1cc(CF)cnn1O;ISHCUSSERQNUQR-UHFFFAOYSA-N;144.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129550;MM129550;C=C(F)C(=O)C1CC1;XMRXLGSEWQZIHH-UHFFFAOYSA-N;114.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129551;MM129551;C=C(C=CF)CNC=NO;CVGWCENZFTUKEV-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129552;MM129552;CCC=CCC(=N)NC=O;BFKMNSRSZLHRSN-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129553;MM129553;COC=CCC(=N)NC=O;ZDXPEXGYCQBECS-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129554;MM129554;C=CC=CCC(=N)NC=O;FUFGSZXWCYHXLR-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129555;MM129555;NC(=CC=O)N=CNC=O;DTIXTUCVTVVIMA-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129556;MM129556;Nc1cc(=O)n(O)o1;PPUSGTXJXUOPAA-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129557;MM129557;CC(CC=O)C(=N)NC=O;AAYRCYKSHPLLJN-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129558;MM129558;C=C(F)C(=C)C1CO1;RAHXEPYQUKLDQT-UHFFFAOYSA-N;114.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129559;MM129559;CC(=O)C(=O)C1CO1;ILKNTNGBXXJTQW-UHFFFAOYSA-N;114.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129560;MM129560;N=C(N)C(=O)C1CO1;LAKZJEAOZAFRGG-UHFFFAOYSA-N;114.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129561;MM129561;NC(=O)C(=O)C1CO1;MZZQHMMEURVOCS-UHFFFAOYSA-N;115.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129562;MM129562;C=C(C)C(=N)N1CC1;KJYPHPSNDSCSSR-UHFFFAOYSA-N;110.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129563;MM129563;COC=C(C)C(=O)NC=N;CTIOZYJSWWLUHJ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129564;MM129564;N=C(N)C(=N)N1CC1;BWWNGQUBJTWELA-UHFFFAOYSA-N;112.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129565;MM129565;O=c1c(CF)con1O;XDWZIMSSDWPLLO-UHFFFAOYSA-N;133.08;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129566;MM129566;C=C(C)C(=O)N1CC1;YCBKMWAUQKGKBB-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129567;MM129567;CC(=O)C(=O)N1CC1;WPUVUUIZPYHDOH-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129568;MM129568;NC(=O)C(=O)N1CC1;LAHIGRFUEGQZIJ-UHFFFAOYSA-N;114.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129569;MM129569;C=Cc1nc(=O)n(O)[nH]1;ZPBJQXQHLYMKIL-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SNda";;;;;;;-1.11;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129570;MM129570;C=C(F)C(=O)N1CC1;BNVGIKDCBCYKLU-UHFFFAOYSA-N;115.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129571;MM129571;CC(C)=C(C)C1CC1;QRJJXVGCFAXLMG-UHFFFAOYSA-N;110.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129572;MM129572;CC(F)=C(C)C1CC1;QOZAHOVFDRTPKX-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129573;MM129573;CC(=C(F)F)C1CC1;SEWOIYGQVXZTFA-UHFFFAOYSA-N;118.13;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129574;MM129574;CC(C)=C(F)C1CC1;UONSQDDEFPETNX-UHFFFAOYSA-N;114.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129575;MM129575;CC(F)=C(F)C1CC1;NJJCJRCPCLLFHN-UHFFFAOYSA-N;118.13;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129576;MM129576;FC(F)=C(F)C1CC1;XIFRTOTXAOWXLC-UHFFFAOYSA-N;122.09;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129577;MM129577;CC(=C(F)F)C1CN1;GTAKXPCJIFMBME-UHFFFAOYSA-N;119.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129578;MM129578;CC(C)=C(F)C1CN1;HNMWXPWVAGSNGQ-UHFFFAOYSA-N;115.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129579;MM129579;CC(F)=C(F)C1CN1;UHEIYEPYLFCNMI-UHFFFAOYSA-N;119.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129580;MM129580;CC(C)=C(C)C1CO1;HSIWEBVWJQHPTO-UHFFFAOYSA-N;112.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129581;MM129581;CC(F)=C(C)C1CO1;OPJZNJHFHFGLSW-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129582;MM129582;CC(=C(F)F)C1CO1;YXHWTJJUAJHALY-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129583;MM129583;CC(C)=C(F)C1CO1;AJIPRUMDKRNGRW-UHFFFAOYSA-N;116.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129584;MM129584;CC(F)=C(F)C1CO1;ZHGHDJWBBHOYNB-UHFFFAOYSA-N;120.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129585;MM129585;CC1CC1(C)C1CC1;ARKDSJPLUVXMCU-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129586;MM129586;CC1(C2CC2)CC1N;QWAZVNATGMOPLB-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129587;MM129587;C=C(C=NO)C(C)C(C)C;RXVKRYURMXUBDN-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129588;MM129588;CC1(C2CC2)CC1F;DHVKAEBFBYWZCI-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129589;MM129589;CC1CC1(N)C1CC1;CYJZWTJDRABKCL-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129590;MM129590;NC1CC1(N)C1CC1;ZWMMURDYZIJNOW-UHFFFAOYSA-N;112.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129591;MM129591;NC1(C2CC2)CC1O;SCOXESHXFVKXEN-UHFFFAOYSA-N;113.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129592;MM129592;OC1(C2CC2)CC1F;PNPXKFKPRKPXJD-UHFFFAOYSA-N;116.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129593;MM129593;CC1(C2CN2)CC1N;PAAXAXZTQYHRCZ-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129594;MM129594;CC1CC1(N)C1CN1;KGGISGRYJYPALA-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129595;MM129595;NC1CC1(N)C1CN1;QARPESWLTKPSKI-UHFFFAOYSA-N;113.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129596;MM129596;NC1(C2CN2)CC1O;BLYXAORNJJJREM-UHFFFAOYSA-N;114.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129597;MM129597;NC1CC1(O)C1CN1;IRZCCEIHTKIZBI-UHFFFAOYSA-N;114.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129598;MM129598;CC1CC1(C)C1CO1;OQIGTYDBGAJCGW-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129599;MM129599;CC1(C2CO2)CC1N;SDEIVIVWEXYKTM-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129600;MM129600;CC1(C2CO2)CC1O;NREMAFSJXJBQFG-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129601;MM129601;CC1CC1(N)C1CO1;IDTAHELKKZISNB-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129602;MM129602;NC1(C2CO2)CC1O;HYVPYNNEZJHFLE-UHFFFAOYSA-N;115.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129603;MM129603;CC1OC1(C)C1CC1;IHUWRWXIJNXVKG-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129604;MM129604;CC1OC1(C)C1CO1;HQEUBSPTYZDEKI-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129605;MM129605;CN1CC1(C)C1CO1;FRASXXRXTVGWOC-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129606;MM129606;CC1(N2CC2)CC1N;AVMIEUVFZJQTLZ-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129607;MM129607;CC1(N2CC2)CC1F;DXHBIWCFQIMPDN-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129608;MM129608;CCC1(C2CC2)CC1;NMDXEAFAWMCTDT-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129609;MM129609;NCC1(C2CC2)CC1;BLOQUSDJULIXQE-UHFFFAOYSA-N;111.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129610;MM129610;CCC(C)C(C)=CC=NO;ZDJQVLFAXYWZTC-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129611;MM129611;CNC1(C2CC2)CC1;NQBYHQIWTUQEGC-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129612;MM129612;NCC1(C2CN2)CC1;FNJFFCSJPSRVTA-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129613;MM129613;CNC1(C2CN2)CC1;BNVDBUSQFKAFFB-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129614;MM129614;CCC1(C2CO2)CC1;JYKVXKGAASBEIA-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129615;MM129615;NCC1(C2CO2)CC1;QFUZNDFNLPNFPG-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129616;MM129616;OCC1(C2CO2)CC1;SKVREGBRQDSPIA-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129617;MM129617;CNC1(C2CO2)CC1;OTHNUNYLNIIFMM-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129618;MM129618;NCC1(C2CO2)CN1;APUCQZBXDDXLQJ-UHFFFAOYSA-N;114.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129619;MM129619;NCC1(N2CC2)CC1;LYJQADABYKEULS-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129620;MM129620;CC=NNC1CC1(O)C#N;PVYGMRKKEVBNRU-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129621;MM129621;C1CC1CCC1CC1;KMEBZBOYYXYOIU-UHFFFAOYSA-N;110.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129622;MM129622;C1CC1CNC1CC1;XYPQMTYUTVPOPL-UHFFFAOYSA-N;111.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129623;MM129623;C1CC1COC1CC1;YZYNBEOKESITGG-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129624;MM129624;C1CC1NCC1CN1;IHGJCHZEJSLVBV-UHFFFAOYSA-N;112.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129625;MM129625;C1CC1CCC1CO1;KILGRRVMDLCEQN-UHFFFAOYSA-N;112.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129626;MM129626;C1CC1NCC1CO1;GXTLUXPLDWNYTG-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129627;MM129627;C1CC1OCC1CO1;PEUIHDRGWJUORK-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129628;MM129628;C(CC1CO1)C1CO1;HTJFSXYVAKSPNF-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129629;MM129629;C1CN1CCN1CC1;YIQQNAISVQHIOJ-UHFFFAOYSA-N;112.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129630;MM129630;C(=CC1CC1)C1CC1;WOUFKYXLNUWBJY-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129631;MM129631;C(=CC1CO1)C1CC1;UUNQJHNHWUCDCS-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129632;MM129632;C(=CC1CO1)C1CO1;USYUWROODZMUKV-UHFFFAOYSA-N;112.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129633;MM129633;C(=NN1CC1)C1CC1;BOYNZNFEYFEOIK-UHFFFAOYSA-N;110.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129634;MM129634;C(=NC1CC1)N1CC1;YMDXBPNUGHUMHF-UHFFFAOYSA-N;110.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129635;MM129635;C(=NN1CC1)C1CN1;RNICMMBSIJJGAN-UHFFFAOYSA-N;111.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129636;MM129636;C(=NN1CC1)C1CO1;BLDCHCYDRJCLEJ-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129637;MM129637;C(#CC1CC1)C1CC1;BMGNRHCFIPQPPS-UHFFFAOYSA-N;106.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129638;MM129638;C(#CC1CN1)C1CC1;DGFQPHGOXKTLEJ-UHFFFAOYSA-N;107.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129639;MM129639;C(#CC1CO1)C1CC1;AUNHZMSXCHXPJB-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129640;MM129640;C(#CC1CN1)C1CN1;HEQPIHCICOJLBF-UHFFFAOYSA-N;108.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129641;MM129641;C(#CC1CO1)C1CN1;FXNYPMCLYOQGON-UHFFFAOYSA-N;109.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129642;MM129642;C(#CC1CO1)C1CO1;ICGXLYTXMDHAKA-UHFFFAOYSA-N;110.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129643;MM129643;CCC1CC1C1CC1;VDKZAQZRSGYRSL-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129644;MM129644;NCC1CC1C1CC1;BYYWMKYHSJUWJR-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129645;MM129645;CCCC(=CC=NO)CC;XBZBFEOTQTWPBD-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129646;MM129646;FCC1CC1C1CC1;DFWWPISMZXXFFP-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129647;MM129647;CNC1CC1C1CC1;JFCGNOPOOPBLOW-UHFFFAOYSA-N;111.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129648;MM129648;COC1CC1C1CC1;RVOULACYXZUJPL-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129649;MM129649;NCC1CC1C1CN1;QBQSGXVGCBSNFG-UHFFFAOYSA-N;112.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129650;MM129650;CNC1CC1C1CN1;JDVQRQBQKCJMJC-UHFFFAOYSA-N;112.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129651;MM129651;CCC1CC1C1CO1;PHXRHMUADBKHNZ-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129652;MM129652;NCC1CC1C1CO1;UZIZOXGBYHHNLQ-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129653;MM129653;OCC1CC1C1CO1;TVDRNUWUJCOMGV-UHFFFAOYSA-N;114.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129654;MM129654;FCC1CC1C1CO1;VDRATEOWVSSGQW-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129655;MM129655;CNC1CC1C1CO1;ZWYVVZVFSBOGGG-UHFFFAOYSA-N;113.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129656;MM129656;COC1CC1C1CO1;BXSCDFQPIQNYBW-UHFFFAOYSA-N;114.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129657;MM129657;NCC1NC1C1CC1;IOUZFJWIQNIKOB-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129658;MM129658;FCC1NC1C1CC1;KOTKTPMLYDLKFP-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129659;MM129659;NCC1NC1C1CN1;YVRPFOKSYZKZEB-UHFFFAOYSA-N;113.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129660;MM129660;NCC1NC1C1CO1;PVGSYRRFQZKFHD-UHFFFAOYSA-N;114.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129661;MM129661;C=CC(=CF)CNC=NO;NCNZMMQFIHSHNH-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129662;MM129662;FCC1NC1C1CO1;NOCREOIXRHCDFI-UHFFFAOYSA-N;117.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129663;MM129663;CCC1OC1C1CC1;DZACCLXJOYXFJG-UHFFFAOYSA-N;112.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129664;MM129664;NCC1OC1C1CC1;PVDYERHNJBRXLF-UHFFFAOYSA-N;113.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129665;MM129665;OCC1OC1C1CC1;MYHJNPQWHRPZBC-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129666;MM129666;FCC1OC1C1CC1;PZYVBRYZMZJTSH-UHFFFAOYSA-N;116.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129667;MM129667;NCC1OC1C1CN1;ADOKASXCDKENFK-UHFFFAOYSA-N;114.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129668;MM129668;CCC1OC1C1CO1;UJUQSXYCZKNGEY-UHFFFAOYSA-N;114.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129669;MM129669;NCC1OC1C1CO1;PUMYXHRHXUYRTD-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129670;MM129670;OCC1OC1C1CO1;RIXXBUZLWAQLCX-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129671;MM129671;CCN1CC1C1CO1;ATRHSYPNQHUNFS-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129672;MM129672;NCC1CC1N1CC1;WSFNXNSWLQDOLY-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129673;MM129673;ONC(=NN=CCF)NO;KXBJMKGHFHFZKP-UHFFFAOYSA-N;150.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129674;MM129674;FCC1CC1N1CC1;SJSYTZCNNJSGEU-UHFFFAOYSA-N;115.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129675;MM129675;CNC1CC1N1CC1;RLEMRGRLQBIMGD-UHFFFAOYSA-N;112.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129676;MM129676;COC1CC1N1CC1;MJWJMBJXEOHZMD-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129677;MM129677;NCC1CN1C1CC1;KPXDKNCOOSORDR-UHFFFAOYSA-N;112.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129678;MM129678;CCC(CC)C(=O)NC=N;FAFQUXPJABWMIE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129679;MM129679;FCC1CN1C1CC1;FBHOYHIBTYGTRU-UHFFFAOYSA-N;115.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129680;MM129680;C=CC1CC1C1CC1;HEEMDMJRDWLPMQ-UHFFFAOYSA-N;108.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129681;MM129681;O=CC1CC1C1CC1;NOJDZTJKRLSDSN-UHFFFAOYSA-N;110.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129682;MM129682;N#CC1CC1C1CC1;CEHYILYTDYHSHU-UHFFFAOYSA-N;107.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129683;MM129683;C=CC1CC1C1CO1;LBZJEFPZFYCFDS-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129684;MM129684;O=CC1CC1C1CO1;POFTURZPHGXXNP-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129685;MM129685;N#CC1CC1C1CO1;MTYJJVSCMIMVFR-UHFFFAOYSA-N;109.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129686;MM129686;CNC(=NO)N(O)C=NN;VZBFTWWLPLTIPF-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129687;MM129687;N#CC1NC1C1CC1;DDGCTHULADUZLY-UHFFFAOYSA-N;108.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129688;MM129688;N#CC1NC1C1CN1;PHEBHSNZQWLIEY-UHFFFAOYSA-N;109.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129689;MM129689;C=CC1NC1C1CO1;VSZOTJNKIPNKBV-UHFFFAOYSA-N;111.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129690;MM129690;C=CCC1C=CC(=NO)C1;IBVXHAGYRUNPHR-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129691;MM129691;N#CC1NC1C1CO1;XFHKPVBFWZUOOL-UHFFFAOYSA-N;110.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129692;MM129692;C=CC1OC1C1CC1;BUOLUMBZPCLJLL-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129693;MM129693;O=CC1OC1C1CC1;PYXAWJXLEKCGFO-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129694;MM129694;N#CC1OC1C1CC1;GEKCVTQTAODBSO-UHFFFAOYSA-N;109.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129695;MM129695;N#CC1OC1C1CN1;YEQSKDKBQQNZFG-UHFFFAOYSA-N;110.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129696;MM129696;C=CC1OC1C1CO1;JRKBKZJLUPKYRE-UHFFFAOYSA-N;112.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129697;MM129697;O=CC1OC1C1CO1;AOEOJPJFAMOFSZ-UHFFFAOYSA-N;114.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129698;MM129698;N#CC1OC1C1CO1;UVYONGKFERFMQZ-UHFFFAOYSA-N;111.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129699;MM129699;N=CN1CC1C1CC1;GTESSSWJPKMOFB-UHFFFAOYSA-N;110.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129700;MM129700;O=CN1CC1C1CC1;FXIKNJFIHVIIRE-UHFFFAOYSA-N;111.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129701;MM129701;C=NN1CC1C1CC1;QDLFXPCMLMRGKS-UHFFFAOYSA-N;110.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129702;MM129702;N=CN1CC1C1CN1;KWVHVKPQNRNGNX-UHFFFAOYSA-N;111.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129703;MM129703;N=CN1CC1C1CO1;AFNRGHIDNRFCJT-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129704;MM129704;O=CN1CC1C1CO1;VNNPJIWGNKIOKV-UHFFFAOYSA-N;113.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129705;MM129705;C=NN1CC1C1CO1;FOMUDZNCSPFMQS-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129706;MM129706;C=CCN1C=CC(=NO)C1;COQVHECREIWIBN-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129707;MM129707;N#CC1CC1N1CC1;KPOLUFVNINZRET-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129708;MM129708;C=CC1CN1C1CC1;XFTPAONSIYFDRU-UHFFFAOYSA-N;109.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129709;MM129709;CCN1CCC(=NO)N1C;OHBBUEQUJTYBBJ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129710;MM129710;N#CC1CN1C1CC1;JZDIDTHPBYSKOD-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129711;MM129711;C#CC1CC1C1CC1;BSYPMHNGDLXVLJ-UHFFFAOYSA-N;106.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129712;MM129712;C#CC1CC1C1CO1;KPWQWVVTVSEVRE-UHFFFAOYSA-N;108.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129713;MM129713;C#CC1NC1C1CC1;LCJFTFYSLVLMHC-UHFFFAOYSA-N;107.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129714;MM129714;C#CC1NC1C1CO1;YEYKRLJTMYXKSB-UHFFFAOYSA-N;109.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129715;MM129715;C#CC1OC1C1CC1;ZSXYDMIKQSAFLA-UHFFFAOYSA-N;108.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129716;MM129716;C#CC1OC1C1CO1;ITEGCWWXVHOBEM-UHFFFAOYSA-N;110.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129717;MM129717;C#CC1CC1N1CC1;VAIPZKOSSGOBIT-UHFFFAOYSA-N;107.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129718;MM129718;C#CC1CN1C1CC1;IQGRFOQSOQHYFD-UHFFFAOYSA-N;107.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129719;MM129719;CC1C(C)C1C1CC1;RNJVAQNKXSFSOS-UHFFFAOYSA-N;110.2;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129720;MM129720;CC1C(N)C1C1CC1;MGTCJTUSVXLVPP-UHFFFAOYSA-N;111.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129721;MM129721;C=C1C(=NO)CCC1CC;VVCVABVFIHJUHY-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129722;MM129722;CC1C(F)C1C1CC1;LCQBSOWSOMDCFD-UHFFFAOYSA-N;114.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129723;MM129723;NC1C(N)C1C1CC1;TXNHXQJVWBLCKD-UHFFFAOYSA-N;112.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129724;MM129724;NC1C(O)C1C1CC1;ISDMHNYNHOKDPO-UHFFFAOYSA-N;113.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129725;MM129725;NC1C(F)C1C1CC1;AAEKSILCVRLRSY-UHFFFAOYSA-N;115.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129726;MM129726;OC1C(O)C1C1CC1;WIIXGCPKUDOTDS-UHFFFAOYSA-N;114.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129727;MM129727;OC1C(F)C1C1CC1;CBXIYCOZELGZMK-UHFFFAOYSA-N;116.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129728;MM129728;CC1C(N)C1C1CN1;ZELGVWZKXHFJSX-UHFFFAOYSA-N;112.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129729;MM129729;NC1C(N)C1C1CN1;JGRBVGRDTXJQLK-UHFFFAOYSA-N;113.16;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129730;MM129730;NC1C(O)C1C1CN1;CQTHVGFMMYDWMJ-UHFFFAOYSA-N;114.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129731;MM129731;CC1C(C)C1C1CO1;HGPYTRLASOJOTE-UHFFFAOYSA-N;112.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129732;MM129732;CC1C(N)C1C1CO1;KUABDXYZXAKZFT-UHFFFAOYSA-N;113.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129733;MM129733;CC1C(O)C1C1CO1;SBCSEIMDDRNFBD-UHFFFAOYSA-N;114.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129734;MM129734;CC1C(F)C1C1CO1;XOKLOXMIYSKACE-UHFFFAOYSA-N;116.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129735;MM129735;NC1C(N)C1C1CO1;RUQUBBXDFZIWOV-UHFFFAOYSA-N;114.15;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129736;MM129736;NC1C(O)C1C1CO1;MGYBSHFPCWNCEM-UHFFFAOYSA-N;115.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129737;MM129737;NC1C(F)C1C1CO1;COWJGPFXKZLZMS-UHFFFAOYSA-N;117.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129738;MM129738;OC1C(O)C1C1CO1;NHEYCLAENZRZAA-UHFFFAOYSA-N;116.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129739;MM129739;OC1C(F)C1C1CO1;KKIHPQAQJBXKNY-UHFFFAOYSA-N;118.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129740;MM129740;CC1C(N)C1N1CC1;SYTYUJPEEGQNBB-UHFFFAOYSA-N;112.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129741;MM129741;C=C1C(=NO)C=CC1CC;ASIGTBIVDHNDKM-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129742;MM129742;CC1C(F)C1N1CC1;CKVKIOCVWSMYJK-UHFFFAOYSA-N;115.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129743;MM129743;NC1C(N)C1N1CC1;HKPMHHVNFKZDMD-UHFFFAOYSA-N;113.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129744;MM129744;NC1C(O)C1N1CC1;QOYDNEIOOKPMCL-UHFFFAOYSA-N;114.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129745;MM129745;C=C1C(CC)=NNC1C=O;MYQIJNYQHSPKAB-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129746;MM129746;CC1C(C)C1C(=O)NC=N;IPDCSXXGWPLTGV-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129747;MM129747;FC1C(F)C1N1CC1;FXNJJWZLVCMYIE-UHFFFAOYSA-N;119.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129748;MM129748;CC1C(C2CO2)N1C;LAJDPMFHSKOLOO-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129749;MM129749;CC(C1CC1)C1CC1;KVFFWLOANKFMDH-UHFFFAOYSA-N;110.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129750;MM129750;NC(C1CC1)C1CC1;GDGUATCKWWKTLM-UHFFFAOYSA-N;111.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129751;MM129751;CCCN=CN=CNC=O;MYOKQVOWCWKTEQ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129752;MM129752;FC(C1CC1)C1CC1;HJPDCBXGBVBLBP-UHFFFAOYSA-N;114.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129753;MM129753;CN(C1CC1)C1CC1;TXNBSTNWVSFRLH-UHFFFAOYSA-N;111.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129754;MM129754;NC(C1CC1)C1CN1;FOALPWUOHMSLPT-UHFFFAOYSA-N;112.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129755;MM129755;FC(C1CC1)C1CN1;BYJGABLJEFYJQH-UHFFFAOYSA-N;115.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129756;MM129756;CC(C1CC1)C1CO1;SROZPYOOJMGWBC-UHFFFAOYSA-N;112.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129757;MM129757;OC(C1CC1)C1CO1;CIIQKGZXFHPNLP-UHFFFAOYSA-N;114.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129758;MM129758;NC(C1CN1)C1CN1;CWUKIDTVJAGKSV-UHFFFAOYSA-N;113.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129759;MM129759;FC(C1CN1)C1CN1;URPWGCUJEYWAPS-UHFFFAOYSA-N;116.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129760;MM129760;NC(C1CN1)C1CO1;URQFVHDXQQRATI-UHFFFAOYSA-N;114.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129761;MM129761;CC(C1CO1)C1CO1;QCKLNCMXVCXGIA-UHFFFAOYSA-N;114.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129762;MM129762;NC(C1CO1)C1CO1;QJFPTAHKDIYTHE-UHFFFAOYSA-N;115.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129763;MM129763;CC(C1CO1)N1CC1;ZAKIFUQZNMRGGL-UHFFFAOYSA-N;113.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129764;MM129764;C=C(C1CC1)C1CC1;RXCSODBXHNSSCQ-UHFFFAOYSA-N;108.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129765;MM129765;O=C(C1CC1)C1CC1;BIPUHAHGLJKIPK-UHFFFAOYSA-N;110.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129766;MM129766;O=CCN=CN=CNC=O;KDKGGPVTIBORDG-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129767;MM129767;C=C(C1CC1)C1CO1;OZSMZQWYSURMIG-UHFFFAOYSA-N;110.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129768;MM129768;O=C(C1CC1)C1CO1;CJVZCGDKQVIDCV-UHFFFAOYSA-N;112.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129769;MM129769;C#CCN=CN=CNC=O;LWHGWDOLVXFTTI-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129770;MM129770;C=C(C1CO1)C1CO1;KAETUCSBQWPLIC-UHFFFAOYSA-N;112.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129771;MM129771;O=C(C1CO1)C1CO1;XEUXFVCBKUMYEX-UHFFFAOYSA-N;114.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129772;MM129772;N=C(C1CC1)N1CC1;LUQFHZSDIOOFFL-UHFFFAOYSA-N;110.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129773;MM129773;O=C(C1CC1)N1CC1;SQEUHGLCJWSIKJ-UHFFFAOYSA-N;111.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129774;MM129774;N=C(C1CN1)N1CC1;YGMIKUSNXHSNJH-UHFFFAOYSA-N;111.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129775;MM129775;O=C(C1CN1)N1CC1;CDKUQZCPBIKNDD-UHFFFAOYSA-N;112.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129776;MM129776;N=C(C1CO1)N1CC1;LHPZJSWOXRIZOZ-UHFFFAOYSA-N;112.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129777;MM129777;O=C(C1CO1)N1CC1;JAZTZWMIQJKFFY-UHFFFAOYSA-N;113.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129778;MM129778;N=C(N1CC1)N1CC1;CTKOOQZNXYCGNI-UHFFFAOYSA-N;111.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129779;MM129779;O=C(N1CC1)N1CC1;XTSFUENKKGFYNX-UHFFFAOYSA-N;112.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129780;MM129780;CC(C)(C)CC(C)(C)C;GUMULFRCHLJNDY-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129781;MM129781;CC(C)(C)CC(C)(C)N;QIJIUJYANDSEKG-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129782;MM129782;Nn1ccnc1O;GTTWBUMHSKHOPX-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129783;MM129783;CC(C)(C)CC(C)(C)F;JFJCRPMCYRRQNG-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129784;MM129784;CC(C)(C)CC(C)(F)F;BFRHXBOJKALNFP-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129785;MM129785;CC(C)(C)CC(F)(F)F;GQOKUXSBHMWWGX-UHFFFAOYSA-N;140.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129786;MM129786;CC(C)(N)CC(C)(C)N;IYFLSGCPMZKERB-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129787;MM129787;CC(C)(N)CC(C)(C)O;PCBDFDDYHBJSHK-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129788;MM129788;CC(C)(N)CC(C)(C)F;RWMIRXWOYMVBMJ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129789;MM129789;CC(C)(N)CC(C)(F)F;GNHIGJDWLZUIOG-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129790;MM129790;CC(C)(N)CC(F)(F)F;XZLZSIPTAZHIIH-UHFFFAOYSA-N;141.14;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129791;MM129791;CC(C)(O)CC(C)(C)O;DBTGFWMBFZBBEF-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129792;MM129792;CC(C)(O)CC(C)(C)F;PPHHMAZQXHXEON-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129793;MM129793;CC(C)(O)CC(C)(F)F;QHPJCCFKSBRBEG-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129794;MM129794;CC(C)(O)CC(F)(F)F;JAEXQVDCHANQSG-UHFFFAOYSA-N;142.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129795;MM129795;CC(C)(F)CC(C)(C)F;PISZJPWZTIESSI-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129796;MM129796;CC(C)(F)CC(C)(F)F;NDUTYGNEBMNHPV-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129797;MM129797;CC(C)(F)CC(F)(F)F;VFCIOBWDMAXJIS-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129798;MM129798;CC(F)(F)CC(C)(F)F;WHRFADFZYHNRCX-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129799;MM129799;CC(F)(F)CC(F)(F)F;WZLFPVPRZGTCKP-UHFFFAOYSA-N;148.07;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129800;MM129800;FC(F)(F)CC(F)(F)F;NSGXIBWMJZWTPY-UHFFFAOYSA-N;152.04;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129801;MM129801;CC(C)(C)NC(C)(C)C;CATWEXRJGNBIJD-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129802;MM129802;CC(C)(C)OC(C)(C)C;AQEFLFZSWDEAIP-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129803;MM129803;CC(C)C(C)C(C)(C)C;VZFMYOCAEQDWDY-UHFFFAOYSA-N;128.26;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129804;MM129804;CC(N)C(C)C(C)(C)C;QGMHKKIBHAHADB-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129805;MM129805;O=CCNC=NO;RWPKSQTYDJGYSG-UHFFFAOYSA-N;102.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129806;MM129806;CC(F)C(C)C(C)(C)C;WBJVIYGMQNJHEW-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129807;MM129807;CC(C)C(N)C(C)(C)C;CTSRUQUENZEWOY-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129808;MM129808;CC(N)C(N)C(C)(C)C;QQDJFZKAVDBZDN-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129809;MM129809;CC(O)C(N)C(C)(C)C;QGABQDGREFUKHW-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129810;MM129810;CC(F)C(N)C(C)(C)C;DZIDOTLTGAIBHJ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129811;MM129811;CC(N)C(O)C(C)(C)C;ATYMCZHXTLXHNA-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129812;MM129812;CC(O)C(O)C(C)(C)C;FKPLZJCSXGKJNK-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129813;MM129813;CC(C)C(C)C(C)(C)N;QZVCUVCQMVKFSY-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129814;MM129814;CC(O)C(C)C(C)(C)N;RBDZCPZWTXKCPM-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129815;MM129815;CC(C(F)F)C(C)(C)N;FEYMEVSYOXJICF-UHFFFAOYSA-N;137.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129816;MM129816;CC(C)(N)C(N)C(F)F;NUWDFCWVVZWWML-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129817;MM129817;CC(C)C(O)C(C)(C)N;SUYHJKYXDYAVJB-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129818;MM129818;CC(N)C(O)C(C)(C)N;AOWISCREBOPKMJ-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129819;MM129819;CC(O)C(O)C(C)(C)N;STRASFAJGYZTMP-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129820;MM129820;CC(C)(N)C(O)C(F)F;NJGUDFYWFJFLDD-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129821;MM129821;CC(F)C(F)C(C)(C)N;YQYBPAGIUCWLBO-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129822;MM129822;N=CNC(=O)CCO;GUGNDMORGBMGRA-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129823;MM129823;CC(F)C(C)C(C)(C)O;OULXYDWNIJFISR-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129824;MM129824;CC(C(F)F)C(C)(C)O;URSHYXVRABJGCZ-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129825;MM129825;CC(C)C(N)C(C)(C)O;HPSNEEWVFSIINY-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129826;MM129826;CC(F)C(O)C(C)(C)O;LJMQNUYONLREFT-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129827;MM129827;CC(C)C(F)C(C)(C)O;GYMHBRRCBCWYKT-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129828;MM129828;CC(N)C(F)C(C)(C)O;HQGNCHHWRRPOMT-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129829;MM129829;CC(C)C(C)C(C)(C)F;NPBWAGSEDHIXBK-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129830;MM129830;CC(N)C(C)C(C)(C)F;FMAPKCNXJXXWES-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129831;MM129831;CC(O)C(C)C(C)(C)F;WUZYMJAWTRTLAR-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129832;MM129832;CC(C)C(N)C(C)(C)F;VFPCWMSUFQCAKX-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129833;MM129833;CC(N)C(N)C(C)(C)F;ICMOIAXOSRXBSN-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129834;MM129834;CC(O)C(N)C(C)(C)F;UCIZYXDPLJPMIF-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129835;MM129835;CC(N)C(O)C(C)(C)F;RLRILABLCKHYJN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129836;MM129836;CC(C)(F)C(O)C(F)F;ZPSVHUBJQIJCGQ-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129837;MM129837;CC(N)C(O)C(C)(F)F;KUQAOIJSBCQJED-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129838;MM129838;CC(F)C(O)C(C)(F)F;UUWBAKXMNMAXSV-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129839;MM129839;CC(F)(F)C(O)C(F)F;URIWWAQSJVUMAM-UHFFFAOYSA-N;146.08;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129840;MM129840;CCN=C(C)NC=O;SMJLNUWQEMDZQX-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129841;MM129841;CC(F)C(O)C(F)(F)F;ALGHWWHPMQDZRR-UHFFFAOYSA-N;146.08;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129842;MM129842;OC(C(F)F)C(F)(F)F;VXUKYFZHHFQCTQ-UHFFFAOYSA-N;150.05;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129843;MM129843;CC(O)C(F)C(F)(F)F;IABRJRMUMUWCDG-UHFFFAOYSA-N;146.08;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129844;MM129844;CC(N(C)C)C(C)(C)C;QFRMBVRYAGBJIB-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129845;MM129845;CC(N(C)C)C(C)(C)O;UWXNFYPZZBOTAK-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129846;MM129846;C=C(C)C(C)C(C)(C)C;UFYWELWPOZYDED-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129847;MM129847;CC(=O)C(C)C(C)(C)C;RAQLTZBGPDCFJW-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129848;MM129848;CC(C(=N)N)C(C)(C)C;XXJATDIVBYXZIQ-UHFFFAOYSA-N;128.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129849;MM129849;NC1=CC(=NO)CC1;JZAWAOOOJZPQET-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129850;MM129850;CC(C(=O)O)C(C)(C)C;ILBXYVICWFMUPR-UHFFFAOYSA-N;130.19;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129851;MM129851;C=C(F)C(C)C(C)(C)C;TVGMRXOTNYQVNC-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129852;MM129852;C=C(C)C(N)C(C)(C)C;KJNVILOXCWAYFB-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129853;MM129853;COn1nc(N)n(O)c1=O;PNQASMIUVUKEQA-UHFFFAOYSA-N;146.11;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129854;MM129854;CC(=O)C(F)C(C)(C)C;BOIPPXIHAFPCTR-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129855;MM129855;C=C(C)C(C)C(C)(C)N;PWQLGWRSDBZNFJ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129856;MM129856;CC(C(=N)N)C(C)(C)N;YDUAOPGIHLYAHY-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129857;MM129857;CC(C(N)=O)C(C)(C)N;UFENMJQEBDISRY-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129858;MM129858;CC(C)(N)C(O)C(=N)N;GYSDADRZXOCLKP-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129859;MM129859;CC(C)(N)C(O)C(N)=O;BAKBJWYYCYALRB-UHFFFAOYSA-N;132.16;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129860;MM129860;CC1C=CC(=NO)N1;SIBOBQNBUCGRPY-UHFFFAOYSA-N;112.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129861;MM129861;CC(C(=N)N)C(C)(C)O;ZZLQLFBFXZXUOZ-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129862;MM129862;CC(C(N)=O)C(C)(C)O;BFCIMFFCTKZYIX-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129863;MM129863;C=C(F)C(C)C(C)(C)O;DVIWQFSMPCSISG-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129864;MM129864;CC(C)(O)C(O)C(=N)N;MINJICFDZIJSRH-UHFFFAOYSA-N;132.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129865;MM129865;CC(C)(O)C(O)C(N)=O;SKNXOXRGPIGHNX-UHFFFAOYSA-N;133.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129866;MM129866;CNc1nn(O)c(=O)[nH]1;FBRUXIFSTSVUPL-UHFFFAOYSA-N;130.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129867;MM129867;C=C(F)C(O)C(C)(C)O;KVIXNJZZUKNEQU-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129868;MM129868;C=C(F)C(F)C(C)(C)O;FQJJIYGENBOCGR-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129869;MM129869;C=C(C)C(C)C(C)(C)F;LOABINAYKLNJRB-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129870;MM129870;CC(=O)C(C)C(C)(C)F;PQKMNAIKPJJRMJ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129871;MM129871;CC(C(=O)O)C(C)(C)F;GAGWPBXCRFINQC-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129872;MM129872;C=C(C)C(N)C(C)(C)F;PXIYYWGKRHKJGZ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129873;MM129873;CC(C)(F)C(N)C(=N)N;BJJOWWMSGPDXJF-UHFFFAOYSA-N;133.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129874;MM129874;CC(C)(F)C(O)C(=N)N;AKYBZBYLWBBGGX-UHFFFAOYSA-N;134.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129875;MM129875;CC(C)(F)C(O)C(N)=O;HJHTVEUPROKNGW-UHFFFAOYSA-N;135.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129876;MM129876;CC(C)(F)C(F)C(N)=O;PWIDCZKFRLVJQR-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129877;MM129877;CC(=O)C(C)C(C)(F)F;MXUMIBGALGIEHE-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129878;MM129878;CC(F)(F)C(O)C(N)=O;XLWOGVVCWNYGEG-UHFFFAOYSA-N;139.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129879;MM129879;C=C(F)C(O)C(C)(F)F;DEJARJJOHNCXAO-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129880;MM129880;O=CC(=NO)OC=C(F)F;UNFSTVSVTPYJED-UHFFFAOYSA-N;151.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129881;MM129881;CC(=O)C(O)C(F)(F)F;NUVQBEQNSKENNY-UHFFFAOYSA-N;142.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129882;MM129882;C=C(F)C(O)C(F)(F)F;NIJCYIWVQDBEGO-UHFFFAOYSA-N;144.07;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129883;MM129883;CC(=N)N(C)C(C)(C)C;MVSCAMWVYADPQP-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129884;MM129884;CC(=O)N(C)C(C)(C)C;DRBCZXVTHBKPCG-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129885;MM129885;CN(C(=N)N)C(C)(C)C;STXZZNXZRQZYET-UHFFFAOYSA-N;129.21;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129886;MM129886;N=C(NC=O)C1CC1;NMLZDQNLBGIRID-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129887;MM129887;CC(=N)N(O)C(C)(C)C;DDWCHGKIHIRDJZ-UHFFFAOYSA-N;130.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129888;MM129888;CC(C)(C)N(O)C(N)=O;RKEBQNDMPSLQMS-UHFFFAOYSA-N;132.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129889;MM129889;C=C(C(C)C)C(C)(C)C;AZTXNNJFCXLFLJ-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129890;MM129890;C=C(C(C)F)C(C)(C)C;JOXFCEUNAXVKTJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129891;MM129891;CC(C)C(=O)C(C)(C)C;OVCHQRXVZXVQNQ-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129892;MM129892;C=C(C(C)C)C(C)(C)N;CLXWABLJHNCPGJ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129893;MM129893;C=C(C(F)F)C(C)(C)N;APHRHJQMQMLLJS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129894;MM129894;C=C(C(F)F)C(C)(C)O;BGELVYLMAXPVIM-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129895;MM129895;CC(O)C(=O)C(C)(C)O;GYZSARRTFMXTOX-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129896;MM129896;CC(F)C(=O)C(C)(C)F;KMRNIUAHDPXDJL-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129897;MM129897;CC(C)C(=O)C(C)(F)F;VUAHVILPCWEPDT-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129898;MM129898;CC(C)C(=O)C(F)(F)F;NLCCAFQWEKMQLM-UHFFFAOYSA-N;140.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129899;MM129899;CN(C)C(=N)C(C)(C)C;LUJYQXSLRPMWPJ-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129900;MM129900;CN(N)C(=N)C(C)(C)C;VAPGWURSINUIOL-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129901;MM129901;CN(C)C(=O)C(C)(C)C;RLVGHTRVYWUWSH-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129902;MM129902;CN(N)C(=O)C(C)(C)C;HIRFSFYSKJXBEZ-UHFFFAOYSA-N;130.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129903;MM129903;CN(C)C(=N)C(C)(C)N;LXAOUIHZNLAZKT-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129904;MM129904;CN(C)C(=O)C(C)(C)N;MWGOOIPMWLYOOW-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129905;MM129905;CN(N)C(=N)C(C)(C)O;MWAMDNPMVAQCON-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129906;MM129906;CN(C)C(=O)C(C)(C)O;TZCGFFXOEGSJCV-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129907;MM129907;CN(C)C(=N)C(C)(C)F;URICMRJBGQIPDC-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129908;MM129908;CN(C)C(=O)C(C)(C)F;JHWYLCKVMGDVCK-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129909;MM129909;CN(N)C(=N)C(C)(F)F;GIHWZMNWNUQSJC-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129910;MM129910;CN(C)C(=O)C(F)(F)F;WXBWKMLIVXELSF-UHFFFAOYSA-N;141.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129911;MM129911;C=C(C)C(=C)C(C)(C)C;HCKRMRBNBHCPBW-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129912;MM129912;C=C(C(C)=O)C(C)(C)C;UJEADONHSFEGFL-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129913;MM129913;C=C(C(=N)N)C(C)(C)C;XCAARKBZAPJFMA-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129914;MM129914;NNC(=O)NCC(F)F;UEAKYNSEGNWLQZ-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129915;MM129915;C=C(C(=O)O)C(C)(C)C;QJVYRYDARHKQAF-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129916;MM129916;C=C(F)C(=C)C(C)(C)C;AXUBHQNJCAANEM-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129917;MM129917;C=C(C)C(=O)C(C)(C)C;BIDLAUQHNMVFGN-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129918;MM129918;CC(=O)C(=O)C(C)(C)C;NHVIQKCLFILTEE-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129919;MM129919;C=C(C)C(=C)C(C)(C)N;CMOLIPDLXKXDCE-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129920;MM129920;C=C(C(=N)N)C(C)(C)N;VGOBPYYPVHECMC-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129921;MM129921;CC(=NCCO)NC=O;VWNPKZHCSQNBTQ-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129922;MM129922;C=C(C(C)=O)C(C)(C)O;WZFUXBHQSHBPBH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129923;MM129923;C=C(C(=N)N)C(C)(C)O;ARPDOJKIYAYHDQ-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129924;MM129924;C=C(C)C(=O)C(C)(C)O;TXLFTINZKIKDIC-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129925;MM129925;C=C(C)C(=C)C(C)(C)F;VMZSAVVKGDXFLP-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129926;MM129926;C=C(C(C)=O)C(C)(C)F;ZLPSHRIILONEKO-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129927;MM129927;CC(C)(F)C(=O)C(=N)N;NPOWHTOPCVBOJH-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129928;MM129928;C=C(C(C)=O)C(C)(F)F;XZDKOVDXHWGYEW-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129929;MM129929;C=C(C)C(=O)C(C)(F)F;MJBAMCXMCOTTQZ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129930;MM129930;CC(F)(F)C(=O)C(N)=O;XSQQSKGJEDTQCW-UHFFFAOYSA-N;137.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129931;MM129931;O=C(O)C(=O)C(F)(F)F;GVDJEHMDNREMFA-UHFFFAOYSA-N;142.03;0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129932;MM129932;CC(C)=C(C)C(C)(C)C;UMIZXRWZTDPABF-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129933;MM129933;CC(F)=C(C)C(C)(C)C;GEQRCDMYZWBONS-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129934;MM129934;CC(C)=C(C)C(C)(C)N;DMEONIPWSNPLHT-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129935;MM129935;CC(=C(F)F)C(C)(C)N;JQONPBVZOWRJFW-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129936;MM129936;CC(C)=C(F)C(C)(C)N;BUDWPSRJVAAPEZ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129937;MM129937;CC(F)=C(F)C(C)(C)N;PEMQPJQWYCYBNZ-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129938;MM129938;CCCC(C)=CC=NO;HMGNFBJHIYOTJW-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129939;MM129939;CC(F)=C(C)C(C)(C)O;QRJJVPARFRZQCL-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129940;MM129940;CC(C)=C(F)C(C)(C)O;NOSPRLJBUWQKIV-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129941;MM129941;CC(C)=C(C)C(C)(C)F;DJEXFLRETPEAHE-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129942;MM129942;CC(C)=C(F)C(C)(F)F;KRYPDCPDGCKCAX-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129943;MM129943;CC(C)=C(C)C(F)(F)F;OVILIGKLQRYVCH-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129944;MM129944;CCC(C)CC(C)(C)C;AFTPEBDOGXRMNQ-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129945;MM129945;CC(CN)CC(C)(C)C;TWUUDIAVXATXSA-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129946;MM129946;C=NNC(=O)C1(C)CN1;WNKCPVKPNURTPL-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129947;MM129947;CC(CF)CC(C)(C)C;JCRGZZFRXWWEOH-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129948;MM129948;CCC(N)CC(C)(C)C;XTANRFGHNYWOHA-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129949;MM129949;CC(C)(C)CC(N)CN;NWMYXAPASNVRQE-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129950;MM129950;CC(C)(C)CC(N)CO;OCJXWXGVDQCFJW-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129951;MM129951;CC(C)(C)CC(N)CF;FWEVOAGAJWYDMU-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129952;MM129952;Cn1cnc(NC=O)c1;PUIKRYJAZQPENJ-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129953;MM129953;CC(C)(C)CC(O)CN;QZVAIVSSWVSYCP-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129954;MM129954;CC(C)(C)CC(O)CO;NKKWYENCEXCGLD-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129955;MM129955;CC(C)(C)CC(O)CF;WFSDCLOUFZWDBQ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129956;MM129956;CCC(F)CC(C)(C)C;VCPSWBIVFOMAFM-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129957;MM129957;CC(C)(C)CC(F)CN;HXCDVHLLNQDAQL-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129958;MM129958;CC(C)(C)CC(F)CO;YCRHGVUTQWGVTP-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129959;MM129959;CCC(C)CC(C)(C)N;GQWMDWSMVXVBGK-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129960;MM129960;CC(CO)CC(C)(C)N;AAZVXDOYKPIBRI-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129961;MM129961;CC(CF)CC(C)(C)N;RXMAUJACKHFYBE-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129962;MM129962;CCC(N)CC(C)(C)N;UUEKBKGQBYLFEF-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129963;MM129963;CC(C)(N)CC(N)CN;YXYQBIYXOQQJON-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129964;MM129964;CC(C)(N)CC(N)CO;LDOUXJPAXRQFBQ-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129965;MM129965;CC(C)(N)CC(N)CF;OEQWTZSALWIIEL-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129966;MM129966;CCC(O)CC(C)(C)N;VLLQDMHGKWZEDI-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129967;MM129967;CC(C)(N)CC(F)CN;UUTKYBNCRLVOTQ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129968;MM129968;CC(C)(N)CC(F)CF;ZSDJCUGTFHUWEB-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129969;MM129969;C=C1C(C)=NNC1C=O;JONBYRYGYMGRRF-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129970;MM129970;CC(CN)CC(C)(C)O;PXATWHDJWMPWGQ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129971;MM129971;CC(CO)CC(C)(C)O;HXOVAKFPZAHQQZ-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129972;MM129972;CC(CF)CC(C)(C)O;JTIXRJPLOZETSM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129973;MM129973;CCC(N)CC(C)(C)O;XFMDZTQXUANALN-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129974;MM129974;CC(C)(O)CC(N)CF;ZVKMDZXKSLKTEZ-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129975;MM129975;CCC(O)CC(C)(C)O;XCTVTCALBXLITL-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129976;MM129976;CC(C)(O)CC(O)CO;GESPJGVSMTZOBM-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129977;MM129977;CC(C)(O)CC(O)CF;OHZLFTKBERKYGJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129978;MM129978;CC(C)(O)CC(F)CO;UNQNGGGHIBTYFQ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129979;MM129979;CC(C)(O)CC(F)CF;KOXAQMABFHVQJZ-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129980;MM129980;CCC(C)CC(C)(C)F;LVEMHLSNXJCPJC-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129981;MM129981;CC(CN)CC(C)(C)F;QJFLTTISDMEFCJ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129982;MM129982;CC(CO)CC(C)(C)F;ZIEAAQZQHSHETM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129983;MM129983;CCC(N)CC(C)(C)F;UPEZBQWWLDOIQX-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129984;MM129984;CC(C)(F)CC(N)CN;ZMVLZVUMHLCMCX-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129985;MM129985;CC(C)(F)CC(N)CF;LPJLIUTWQMNKGL-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129986;MM129986;CCC(O)CC(C)(C)F;JCEDPUIZMIOYOY-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129987;MM129987;CC(C)(F)CC(O)CF;GBNYNTHQYZAXGJ-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129988;MM129988;CCC(F)CC(C)(C)F;QNJWDIDUTDQTHT-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129989;MM129989;CC(C)(F)CC(F)CN;MASBNUKFCHXNFT-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129990;MM129990;CC(C)(F)CC(F)CF;ZNUWZZWITLZRCG-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129991;MM129991;CCC(C)CC(C)(F)F;WOEPZTWNDRSVNL-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129992;MM129992;CC(CN)CC(C)(F)F;MHMVNPJFOHHVSU-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129993;MM129993;CC(CO)CC(C)(F)F;MSSHLNCFZPWPEC-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129994;MM129994;CC(CF)CC(C)(F)F;IEOUTLWZOLHSOA-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129995;MM129995;CCC(N)CC(C)(F)F;JHRYBSBQXDXLIE-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129996;MM129996;CC(F)(F)CC(N)CN;ZBWXQUYVFKRKIB-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129997;MM129997;CC(F)(F)CC(N)CO;HBXHUIJKWVUIOJ-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129998;MM129998;CC(F)(F)CC(N)CF;DJVHEQLYQINMEW-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM129999;MM129999;CCC(O)CC(C)(F)F;AXLPKINJVZLEJC-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130000;MM130000;CC(F)(F)CC(O)CN;LHHVJYHCDVZPNM-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130001;MM130001;CC(F)(F)CC(O)CO;NIMUMKOJSCVIRA-UHFFFAOYSA-N;140.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130002;MM130002;CC(F)(F)CC(O)CF;XNBSOGMFPKPDFQ-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130003;MM130003;CCC(F)CC(C)(F)F;IIIJHFZSUSQSQQ-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130004;MM130004;CC(F)(F)CC(F)CN;ZOLXTBWATSOXTR-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130005;MM130005;CC(F)(F)CC(F)CO;WXEHSKIKTATJRR-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130006;MM130006;CC(F)(F)CC(F)CF;FGEMBVURBLFCLD-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130007;MM130007;CCC(C)CC(F)(F)F;BJLHXROPECKRHX-UHFFFAOYSA-N;140.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130008;MM130008;CC(CN)CC(F)(F)F;PIOIYGGPVZPPRE-UHFFFAOYSA-N;141.14;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130009;MM130009;CC(CF)CC(F)(F)F;VKCGOUZGFGUSJV-UHFFFAOYSA-N;144.11;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130010;MM130010;CCC(N)CC(F)(F)F;ZANWWERUZKUGLP-UHFFFAOYSA-N;141.14;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130011;MM130011;CCC(O)CC(F)(F)F;LDDLLWCSMJHATO-UHFFFAOYSA-N;142.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130012;MM130012;CCC(F)CC(F)(F)F;NYZGNXLBIFQZIN-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130013;MM130013;CNC(C)CC(C)(C)C;XOTDMYIWXQXPKY-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130014;MM130014;CNC(C)CC(C)(C)N;JJMWKCYHQNNXFK-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130015;MM130015;CNC(C)CC(C)(C)O;YXBQKAJDWFLEAK-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130016;MM130016;CNC(C)CC(C)(C)F;ADXJPCVIMXXPAG-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130017;MM130017;CNC(C)CC(C)(F)F;ZIDLUSOMMSNUTP-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130018;MM130018;CNC(C)CC(F)(F)F;PLLAZUYEBAJOGC-UHFFFAOYSA-N;141.14;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130019;MM130019;COC(C)CC(C)(C)C;NNYBCHRNNSCGOI-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130020;MM130020;COC(C)CC(C)(C)N;WRDAOEVPVJMOLO-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130021;MM130021;COC(C)CC(C)(C)O;WOGLHVNEIMYZTM-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130022;MM130022;COC(C)CC(C)(C)F;SERNKHLMDLGSPQ-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130023;MM130023;COC(C)CC(C)(F)F;YWXGCBVQFCBGIP-UHFFFAOYSA-N;138.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130024;MM130024;COC(C)CC(F)(F)F;KSTIWOBARVVNMS-UHFFFAOYSA-N;142.12;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130025;MM130025;CCC(C)NC(C)(C)C;RRYYENPEMDHYLQ-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130026;MM130026;CC(CN)NC(C)(C)C;VPMSNLLZXRIEOK-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130027;MM130027;CC(CO)NC(C)(C)C;POANXYQWEMCVBJ-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130028;MM130028;CC(CF)NC(C)(C)C;OPBFLYJZJXGYFY-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130029;MM130029;CCC(C)OC(C)(C)C;WMZNUJPPIPVIOD-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130030;MM130030;CC(CN)OC(C)(C)C;FUMQINKTMJGGNY-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130031;MM130031;CC(CO)OC(C)(C)C;GIWJLGYZXWVBDL-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130032;MM130032;COC(C)OC(C)(C)C;JMHHMPQTQOISEF-UHFFFAOYSA-N;132.2;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130033;MM130033;CCN(C)CC(C)(C)C;MZNVHKWACQNDAX-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130034;MM130034;CCN(C)CC(C)(C)O;DPKDFMVALQRMAV-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130035;MM130035;CCN(C)CC(C)(C)F;HUMIIVUWCPHBSR-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130036;MM130036;CCN(C)CC(C)(F)F;WUVFXVFOWOQLAM-UHFFFAOYSA-N;137.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130037;MM130037;CCN(C)CC(F)(F)F;WVPUAYJXOMKLRU-UHFFFAOYSA-N;141.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130038;MM130038;C=CC(C)CC(C)(C)C;JTXUVHFRSRTSAT-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130039;MM130039;CC(C=O)CC(C)(C)C;PJLOOIXLBYOPHW-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130040;MM130040;CC(C#N)CC(C)(C)C;HSMXZESMYQNLJP-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130041;MM130041;C=CC(N)CC(C)(C)C;WZSCRHRJHLIXQP-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130042;MM130042;CC1=C(C)C(=NO)NC1;MOOXWHPBSOWPMW-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130043;MM130043;CC(C)(C)CC(O)C#N;DQLWBKHGCOSDML-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130044;MM130044;C=CC(F)CC(C)(C)C;XSQBYJHCLMDQPL-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130045;MM130045;CC(C)(C)CC(F)C=O;ISRMGHYAUYHNKS-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130046;MM130046;CC(C)(C)CC(F)C#N;LVJNVUHBHNBBSR-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130047;MM130047;C=CC(C)CC(C)(C)N;DADNWMBETIZUPV-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130048;MM130048;CCc1ncn(O)c1C;WLLMTXQHTRFPAP-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130049;MM130049;CC(C=O)CC(C)(C)O;XLGDLLHCCNNLPE-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130050;MM130050;CC(C#N)CC(C)(C)O;RHWAAIMUAUFJQP-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130051;MM130051;C=CC(N)CC(C)(C)O;IHLLUNNFCMIOCO-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130052;MM130052;C=CC(C)CC(C)(C)F;OMZCDIHHFOEHDD-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130053;MM130053;CC(C=O)CC(C)(C)F;NYXIQHLPRPUEPL-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130054;MM130054;CC(C#N)CC(C)(C)F;JHRDJOPSBVOCGN-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130055;MM130055;C=CC(N)CC(C)(C)F;YLNWVPVYHHRLEH-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130056;MM130056;C=CC(O)CC(C)(C)F;FUCUNCMESNIKIG-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130057;MM130057;CC(C)(F)CC(O)C#N;QCFBEBVSHGNOOY-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130058;MM130058;C=CC(F)CC(C)(C)F;CFWBMQMFSDGKBY-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130059;MM130059;CC(C)(F)CC(F)C=O;CQPZLHIURQBSFS-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130060;MM130060;CC(C)(F)CC(F)C#N;CWMWHPWUBXVZEF-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130061;MM130061;C=CC(C)CC(C)(F)F;QUGPKEYCQSAINI-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130062;MM130062;CC(C=O)CC(C)(F)F;BKJMLSRGXMPXAA-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130063;MM130063;CC(C#N)CC(C)(F)F;OVTSMNKRKAGLPO-UHFFFAOYSA-N;133.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130064;MM130064;C=CC(F)CC(C)(F)F;QBULKDGUMXSSAS-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130065;MM130065;CC(F)(F)CC(F)C#N;MKNHMDVKFUOWPL-UHFFFAOYSA-N;137.1;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130066;MM130066;C=CC(C)CC(F)(F)F;IALLXBJWWWTYGI-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130067;MM130067;CC(C=O)CC(F)(F)F;MHPXLODATSRVIE-UHFFFAOYSA-N;140.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130068;MM130068;C=CC(N)CC(F)(F)F;AUKJUEVCUYYQTO-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130069;MM130069;C=CC(O)CC(F)(F)F;RTGMUMJPESJQLV-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130070;MM130070;O=CC(O)CC(F)(F)F;UOALZLSKNSNWSG-UHFFFAOYSA-N;142.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130071;MM130071;C=CC(F)CC(F)(F)F;ZPPLCCJFZKPHIA-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130072;MM130072;N#CC(F)CC(F)(F)F;LPNSRJNQRQJWOX-UHFFFAOYSA-N;141.07;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130073;MM130073;C=CC(C)NC(C)(C)C;ZBDIVIJLHHUBFG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130074;MM130074;CC(C=O)NC(C)(C)C;ARIAORVKFFEBLW-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130075;MM130075;CC(C#N)NC(C)(C)C;CNVQXHVWOLSJME-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130076;MM130076;C=CC(C)OC(C)(C)C;CWVIOODWRUIXLR-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130077;MM130077;CC(C=O)OC(C)(C)C;XZNQPRZKTSYWMP-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130078;MM130078;CC(C#N)OC(C)(C)C;WJTSXNYRQZOSQD-UHFFFAOYSA-N;127.19;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130079;MM130079;CN(C=N)CC(C)(C)C;XVEOLJMMRKZHFD-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130080;MM130080;CN(C=O)CC(C)(C)C;YDFJDAYFBVHACK-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130081;MM130081;CC(C)(C)CN(N)C=N;YIAFMDAYTWQQCY-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130082;MM130082;CC(C)(C)CN(N)C=O;MZZZKGGKIVBTKL-UHFFFAOYSA-N;130.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130083;MM130083;CC(C)(C)CN(O)C=N;SUYFULAMVAOURZ-UHFFFAOYSA-N;130.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130084;MM130084;CN(C=N)CC(C)(C)N;MGVDOAJQUWOJMO-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130085;MM130085;CC(C)(N)CN(O)C=N;VZMNCRLSDARDMQ-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130086;MM130086;CN(C=N)CC(C)(C)O;YOLMNHDRMLJSSM-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130087;MM130087;CC(C)(O)CN(N)C=N;JYSZQYWTFWMBDU-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130088;MM130088;C=CN(N)C(=NO)NO;VVKJNOINYJFNIF-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130089;MM130089;CN(C=N)CC(C)(C)F;ZOSLXPPPYVPKTI-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130090;MM130090;CC(F)(F)CN(N)C=N;WDGAINPUTVDGTA-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130091;MM130091;C=NN(C)CC(C)(C)C;YQTHVSOMMSNFPG-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130092;MM130092;C=NN(C)CC(C)(C)N;TXNZXPRIBXMAFH-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130093;MM130093;C=NN(C)CC(C)(C)F;YHMVIAFXZVGPRB-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130094;MM130094;C=NN(C)CC(C)(F)F;GUTZSOJCFJALJV-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130095;MM130095;CN(C=O)NC(C)(C)C;MWTPRGWKRLKHLY-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130096;MM130096;CN(C=N)OC(C)(C)C;GQTKYLZTHYOOFN-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130097;MM130097;CN(C=O)OC(C)(C)C;QXIRYTMZGQMIAL-UHFFFAOYSA-N;131.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130098;MM130098;C#CC(C)CC(C)(C)C;KFMATSLJWQCUBV-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130099;MM130099;C#CC(N)CC(C)(C)C;VEPSZVWCIMYAAA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130100;MM130100;C#CC(O)CC(C)(C)C;AERDTAWVUWUCKA-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130101;MM130101;C#CC(F)CC(C)(C)C;BORLMARMGAZARB-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130102;MM130102;C#CC(C)CC(C)(C)N;RUOPZDRCWWHTIC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130103;MM130103;C#CC(N)CC(C)(C)N;AAIKTRQGTCVMAG-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130104;MM130104;CC(=NCC(C)C)NC=O;SJLFYKBYJYYGGO-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130105;MM130105;C#CC(F)CC(C)(C)O;OWPPYFQHFWTAEB-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130106;MM130106;C#CC(C)CC(C)(C)F;CJEQOXZWGWFFDJ-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130107;MM130107;C#CC(N)CC(C)(C)F;ZFHPSFIWSQMBIV-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130108;MM130108;C#CC(O)CC(C)(C)F;ZMNIVOWPIIFCTK-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130109;MM130109;C#CC(F)CC(C)(C)F;IEYWLIJZEIIXGS-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130110;MM130110;C#CC(C)CC(C)(F)F;DNURCLYZHSKSBJ-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130111;MM130111;C#CC(N)CC(C)(F)F;NGMGHQISTFMDSO-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130112;MM130112;C#CC(O)CC(C)(F)F;VSGZIKMKXMXUQG-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130113;MM130113;C#CC(F)CC(C)(F)F;DEJZLPUGYXIGFB-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130114;MM130114;C#CC(C)CC(F)(F)F;WSXPOPMNWWVTIC-UHFFFAOYSA-N;136.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130115;MM130115;C#CC(N)CC(F)(F)F;MTODZRFRKFREPZ-UHFFFAOYSA-N;137.1;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130116;MM130116;C#CC(O)CC(F)(F)F;PMUFAAZZOWAXCG-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130117;MM130117;C#CC(F)CC(F)(F)F;ICXGMKYGAREXPV-UHFFFAOYSA-N;140.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130118;MM130118;C#CC(C)NC(C)(C)C;SXLASCQTQKWUNN-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130119;MM130119;C#CC(C)OC(C)(C)C;FIQFHOBKZSUGLM-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130120;MM130120;C=C(CC)CC(C)(C)C;VIURXUSJLMYXAD-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130121;MM130121;C=C(CN)CC(C)(C)C;QWHUGEFMGWQCJB-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130122;MM130122;C=C(CO)CC(C)(C)C;SSTMSMYLTOSLSY-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130123;MM130123;C=C(CF)CC(C)(C)C;YZBMTMGQZOZSRJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130124;MM130124;CCC(=O)CC(C)(C)C;BARYVXFFVQIMLI-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130125;MM130125;CC(C)(C)CC(=O)CF;HGWMBAVELBUVGN-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130126;MM130126;C=C(CC)CC(C)(C)N;HVEXOFFMNCNYLW-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130127;MM130127;C=C(CF)CC(C)(C)N;UYROIVGOCZOAHL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130128;MM130128;NNC(=O)CC#CC(N)=O;WIJBUNBLWPSLDC-UHFFFAOYSA-N;141.13;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130129;MM130129;C=C(CF)CC(C)(C)O;BAEAWLPBXAWCQV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130130;MM130130;CC(C)(O)CC(=O)CO;UZSRJTNVDUYOLE-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130131;MM130131;C=C(CC)CC(C)(C)F;MUURNFPXORDHNK-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130132;MM130132;C=C(CN)CC(C)(C)F;DWQJEMAKNSSUQT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130133;MM130133;C=C(CO)CC(C)(C)F;OUTYQXFFEZPLEM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130134;MM130134;C=C(CF)CC(C)(C)F;GNMJNJMOWPRTSZ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130135;MM130135;CCC(=O)CC(C)(C)F;KBCYYOCOCDUHCC-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130136;MM130136;C=C(CC)CC(C)(F)F;OHWBEZUPHGHZJF-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130137;MM130137;C=C(CO)CC(C)(F)F;KJCPXELYJPKASB-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130138;MM130138;C=C(CF)CC(C)(F)F;VAZIMZYTNCUAMU-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130139;MM130139;CCC(=O)CC(C)(F)F;QTYINGFTLXNXLW-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130140;MM130140;CC(F)(F)CC(=O)CF;XKPURLSMEWMYHB-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130141;MM130141;C=C(CC)CC(F)(F)F;BXGZOSLRDIXKMS-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130142;MM130142;C=C(CO)CC(F)(F)F;BSRYHMREVZRXDQ-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130143;MM130143;C=C(CF)CC(F)(F)F;PKHABTCBEBSMQR-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130144;MM130144;CCC(=O)CC(F)(F)F;YBTCBNQUROAZJL-UHFFFAOYSA-N;140.1;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130145;MM130145;CNC(=N)CC(C)(C)C;LPJUKKWEPOXEPJ-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130146;MM130146;CC(C)(C)CC(=N)NN;ZTQFNCGSFNTROG-UHFFFAOYSA-N;129.21;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130147;MM130147;CC(C)(C)CC(=N)NO;NUVUYAGKANIOPX-UHFFFAOYSA-N;130.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130148;MM130148;CCC(O)CC(=O)NC=N;OVZDMCHRPJQFMP-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130149;MM130149;CC(C)(N)CC(=O)NO;RYDFGIFBPYVYKC-UHFFFAOYSA-N;132.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130150;MM130150;CC(C)(O)CC(=N)NO;HKENPFNMIYYRHU-UHFFFAOYSA-N;132.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130151;MM130151;N=CNC(=O)CC(O)CO;SUBCKQORPCGELF-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130152;MM130152;CC(C)(O)CC(=O)NO;HYHWHFATFLRITN-UHFFFAOYSA-N;133.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130153;MM130153;CNC(=N)CC(C)(C)F;XOPZRBRLSLTFLK-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130154;MM130154;CNC(=O)CC(C)(C)F;IGVWJHVVRRIZKU-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130155;MM130155;COC(C)CC(=O)NC=N;HFGATJSXYVQOJR-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130156;MM130156;CC(F)(F)CC(=O)NN;NTSSNDVRUNNZAO-UHFFFAOYSA-N;138.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130157;MM130157;CNC(=N)CC(F)(F)F;DEJDZWPFWIGGKU-UHFFFAOYSA-N;140.11;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130158;MM130158;C=C(CC(C)(C)C)OC;LSHQWPNTYWCQMU-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130159;MM130159;COC(=O)CC(C)(C)C;DXBOTVWRXLQVMG-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130160;MM130160;C=C(CC(C)(C)N)OC;WYJAUOKQWQJFLL-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130161;MM130161;C=C(CC(C)(C)O)OC;TYXRFCKXUOZVQD-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130162;MM130162;C=C(CC(C)(C)F)OC;UWNXHVTVKAMDBH-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130163;MM130163;COC(=O)CC(C)(C)F;QYMBOAWVZDIPES-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130164;MM130164;C=C(CC(C)(F)F)OC;AKNSCSAOCSXKER-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130165;MM130165;COC(=O)CC(C)(F)F;WALSLQZTQAFCSA-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130166;MM130166;C=C(CC(F)(F)F)OC;GQLYPZIDGXNOPW-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130167;MM130167;COC(=O)CC(F)(F)F;PMGBATZKLCISOD-UHFFFAOYSA-N;142.08;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130168;MM130168;CCC(=N)NC(C)(C)C;BTXCUMXTNMDSMN-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130169;MM130169;CC(C)(C)NC(=N)CN;TWEFOIHZSMQOPI-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130170;MM130170;CC(C)(C)NC(=N)CO;STDYKDKHNXTGFB-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130171;MM130171;C=NOCCC(=O)NC=N;LKCHTHYEUDQBCS-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130172;MM130172;COC(=N)NC(C)(C)C;SPAJONKITBNJGF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130173;MM130173;C=C(CC)OC(C)(C)C;PYOWBWJCMAGMHA-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130174;MM130174;C=C(CN)OC(C)(C)C;DXZFWYHUGORLEA-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130175;MM130175;C=C(CO)OC(C)(C)C;NYEFCKQJTQZLAZ-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130176;MM130176;C=C(CF)OC(C)(C)C;FYKGBYZFVNCBKA-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130177;MM130177;CCC(=O)OC(C)(C)C;JAELLLITIZHOGQ-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130178;MM130178;CC(C)(C)OC(=O)CF;PIZRHGWZUVTVQJ-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130179;MM130179;CNC(=N)OC(C)(C)C;AVBUEYFWPWRYMK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130180;MM130180;C=CC(=C)CC(C)(C)C;AQYKIROTAGYYQK-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130181;MM130181;C=C(C=O)CC(C)(C)C;UVKQJLFYTPXCCD-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130182;MM130182;C=C(C#N)CC(C)(C)C;IKQQDYPSZRQHJV-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130183;MM130183;C=CC(=O)CC(C)(C)C;CIVQRCGKGDRUNK-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130184;MM130184;CC(C)(C)CC(=O)C=O;PFNRIJUUFIUASU-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130185;MM130185;CC(C)(C)CC(=O)C#N;NUTFFLDVSHIZBL-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130186;MM130186;C=CC(=C)CC(C)(C)N;PFAILIAYXHNDMH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130187;MM130187;CC(=NCCCO)NC=O;WAZZQRCNIYKPQD-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130188;MM130188;C=C(C#N)CC(C)(C)O;ZBUAOXKHPRBIBM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130189;MM130189;C=CC(=C)CC(C)(C)F;YFNASINCSGDKEP-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130190;MM130190;C=C(C=O)CC(C)(C)F;VLUCPAMHSQKIAE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130191;MM130191;C=C(C#N)CC(C)(C)F;YVIAABABFACJNI-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130192;MM130192;CC(C)(F)CC(=O)C=O;WZQPPOCBJSJSCM-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130193;MM130193;CC(C)(F)CC(=O)C#N;TUMOXJWDNRFZGC-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130194;MM130194;C=CC(=C)CC(C)(F)F;IPTOZKOCVGPLSC-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130195;MM130195;C=C(C=O)CC(C)(F)F;JQAYPIXNWLNRMY-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130196;MM130196;C=C(C#N)CC(C)(F)F;ORMKRIPZOSCFRT-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130197;MM130197;C=CC(=O)CC(C)(F)F;LUGLLLDYDSCQSV-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130198;MM130198;CC(F)(F)CC(=O)C=O;QTZMTCTZPLJWQA-UHFFFAOYSA-N;136.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130199;MM130199;CC(F)(F)CC(=O)C#N;WXWPBNLFSFOKCK-UHFFFAOYSA-N;133.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130200;MM130200;C=CC(=C)CC(F)(F)F;AHNSLYZYKYFAGG-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130201;MM130201;C=C(C=O)CC(F)(F)F;YJEBFPZFCKUTND-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130202;MM130202;C=C(C#N)CC(F)(F)F;GODHZGBZBRTSLN-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130203;MM130203;C=CC(=O)CC(F)(F)F;WRYDZANLTJJLDW-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130204;MM130204;C=CC(=N)NC(C)(C)C;NFFFHFUZOFEDRH-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130205;MM130205;CC(C)(C)N=C(N)C=O;PENDNHJTDWJFDS-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130206;MM130206;COCCN=C(C)NC=O;CAMQKYGLUCLSJC-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130207;MM130207;CC(C)(C)NC(=O)C#N;YZIHZGHQQIJCBB-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130208;MM130208;C=CC(=C)OC(C)(C)C;DGSKWRSFUOOZPU-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130209;MM130209;C=C(C=O)OC(C)(C)C;KWKUJQOEBVPSGN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130210;MM130210;C=C(C#N)OC(C)(C)C;FSHXIJFKBXNVDR-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130211;MM130211;C=CC(=O)OC(C)(C)C;ISXSCDLOGDJUNJ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130212;MM130212;CC(C)(C)OC(=O)C#N;QCVNMVPFJFEZRZ-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130213;MM130213;C#CC(=C)CC(C)(C)C;QPJNDCZSBWHKCE-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130214;MM130214;C#CC(=O)CC(C)(C)C;PWVWCMILXKUUDH-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130215;MM130215;C#CC(=C)CC(C)(C)N;ASYSWAPIDJZKTD-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130216;MM130216;C#CCCN=C(C)NC=O;GFHKPWICFQQFAC-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130217;MM130217;C#CC(=C)CC(C)(C)F;VFOLRWQCJDNNNL-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130218;MM130218;C#CC(=O)CC(C)(C)F;OXWOEDDKJWBUBV-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130219;MM130219;C#CC(=C)CC(C)(F)F;GDBNJAKMCDAXAH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130220;MM130220;C#CC(=O)CC(C)(F)F;FFMYYYIKMOKHAU-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130221;MM130221;C#CC(=C)CC(F)(F)F;UPWVLMXWSOOEFH-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130222;MM130222;C#CC(=O)CC(F)(F)F;PWLIIGULVHMUHX-UHFFFAOYSA-N;136.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130223;MM130223;C#CC(=N)NC(C)(C)C;JWWLHLHODBOREP-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130224;MM130224;C#CC(=O)NC(C)(C)C;JHLXTOKTQVJFDI-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130225;MM130225;C#CC(=C)OC(C)(C)C;KUMZZOPCGNBFME-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130226;MM130226;C#CC(=O)OC(C)(C)C;XGTPDIIFEPTULX-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130227;MM130227;CC=C(C)CC(C)(C)C;MXAFMRHRWMAVRM-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130228;MM130228;CC(=CF)CC(C)(C)C;LACXYMNPNYFTCX-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130229;MM130229;CC=C(F)CC(C)(C)C;MEKFXIDJZJBZMZ-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130230;MM130230;CC(C)(C)CC(F)=CF;JEKRRASMFJDVGB-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130231;MM130231;CC=C(C)CC(C)(C)N;CJXRQUHYROZNQA-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130232;MM130232;CC=C(F)CC(C)(C)N;PPOLDKMYGDJCDV-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130233;MM130233;CC(C)(N)CC(F)=CF;JVGSPBGBYOCDOZ-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130234;MM130234;C=C(OC=O)C(=O)NNC;YGTGFCYMAOYEIH-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130235;MM130235;CC(=CF)CC(C)(C)O;SYYBFGBPRSVEFN-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130236;MM130236;CC=C(F)CC(C)(C)O;HWXBIRBPKIPJGW-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130237;MM130237;CC(C)(O)CC(F)=CF;MTTVGLTYOGPPCL-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130238;MM130238;CC=C(C)CC(C)(C)F;TYKGTPWIIAYEKB-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130239;MM130239;CC(=CF)CC(C)(C)F;MEQVFPSCWIHIDC-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130240;MM130240;CC=C(F)CC(C)(C)F;RJDTVHCBSRSWLK-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130241;MM130241;CC(C)(F)CC(F)=CF;UEXICBQYSNIENB-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130242;MM130242;CC=C(C)CC(C)(F)F;RIBLWEMSCPZYLS-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130243;MM130243;CC(=CF)CC(C)(F)F;YGSIRPOPSCQZPZ-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130244;MM130244;CC=C(F)CC(C)(F)F;VUKBCTPPOZAPCM-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130245;MM130245;CC(F)(F)CC(F)=CF;YDGKLPJJVBJIKZ-UHFFFAOYSA-N;142.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130246;MM130246;CC=C(C)CC(F)(F)F;PHQMLYHOIUWODY-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130247;MM130247;CC(=CF)CC(F)(F)F;HBTPIDZNOASCLA-UHFFFAOYSA-N;142.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130248;MM130248;CC=C(F)CC(F)(F)F;BNUSIFZLQFMZAY-UHFFFAOYSA-N;142.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130249;MM130249;FC=C(F)CC(F)(F)F;GKHWFTRRRKPLGU-UHFFFAOYSA-N;146.06;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130250;MM130250;CC(CC(C)(C)C)=NN;NIOMOJJBOIBYMZ-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130251;MM130251;C=C(C)C(=C)C(=O)NC=N;FKYJABXCXYHZFT-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130252;MM130252;CC1OC1CC(=N)NC=O;MTBIILWEHCKWMV-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130253;MM130253;CC(CC(C)(C)F)=NN;DIKSMUVTUHRGEQ-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130254;MM130254;CC(CC(C)(C)F)=NO;AZPCYHYTNXDHHO-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130255;MM130255;CC(CC(C)(F)F)=NN;YJMNTNVNECORHH-UHFFFAOYSA-N;136.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130256;MM130256;CC(CC(C)(F)F)=NO;QPTMWTUVIOWLBJ-UHFFFAOYSA-N;137.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130257;MM130257;CC(CC(F)(F)F)=NN;NOLJRWHYBZMHTK-UHFFFAOYSA-N;140.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130258;MM130258;CN=C(C)NC(C)(C)C;TVOCYAQIFJAGSV-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130259;MM130259;CC(=NN)NC(C)(C)C;KRHULNQKEOFPCZ-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130260;MM130260;CC1OC1CC(=O)NC=N;OBFHNVZNYHJUOQ-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130261;MM130261;CC=C(C)OC(C)(C)C;LOGLMINRTSGDHN-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130262;MM130262;CC(=CF)OC(C)(C)C;LLGSRADWZPJENU-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130263;MM130263;CC(=NN)C(O)C(=O)NN;AYGNXZBXPIJRIV-UHFFFAOYSA-N;146.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130264;MM130264;CC(=NO)OC(C)(C)C;HPJKRXMJLNIQOQ-UHFFFAOYSA-N;131.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130265;MM130265;CCC(C)=CC(C)(C)C;DPFRBPJIKDMNCN-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130266;MM130266;CC(=CC(C)(C)C)CN;PRWCRCYVEUFLBT-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130267;MM130267;CC(=CC(C)(C)C)CO;SRFCYTVMWHWLSR-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130268;MM130268;CC(=CC(C)(C)C)CF;AEHZPOKRDMZECW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130269;MM130269;CCC(F)=CC(C)(C)C;WEVJOWHMTUEFQU-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130270;MM130270;CC(C)(C)C=C(F)CO;ADGQDKNBQPABRS-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130271;MM130271;CC(C)(C)C=C(F)CF;JUGDJYYNHSDKNB-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130272;MM130272;CCC(C)=CC(C)(C)N;YRTVDINCVHVJGC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130273;MM130273;CC(=CC(C)(C)N)CO;CVHKVQBJDZDMQI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130274;MM130274;CCC(F)=CC(C)(C)N;QSHRYUSSCBZMAB-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130275;MM130275;CC(C)(N)C=C(F)CN;VMXHKKWMCVFNEL-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130276;MM130276;COC(C(=O)NN)C(C)F;RBHZUQQPVUFQPY-UHFFFAOYSA-N;150.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130277;MM130277;CCC(F)=CC(C)(C)O;JLGWFSUODPYNIX-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130278;MM130278;CCC(C)=CC(C)(C)F;JZUVQPZUQQPWHZ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130279;MM130279;CC(=CC(C)(C)F)CN;DAODPIGDVYIQAN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130280;MM130280;CC(=CC(C)(C)F)CO;XTJUHSIFDSNLGQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130281;MM130281;CCC(F)=CC(C)(C)F;KSUGISXMPZASPI-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130282;MM130282;CC(C)(F)C=C(F)CF;OUVNINVVVGPJHJ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130283;MM130283;CCC(C)=CC(C)(F)F;FDMJKQMJVCOWCV-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130284;MM130284;CC(=CC(C)(F)F)CN;HLROTXQVNGRYET-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130285;MM130285;CC(=CC(C)(F)F)CO;UBRBGEWQFIHPOI-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130286;MM130286;CC(=CC(C)(F)F)CF;DTLPHORSFSKIOD-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130287;MM130287;CCC(F)=CC(C)(F)F;RKBLPFRDIYHXPI-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130288;MM130288;CCC(C)=CC(F)(F)F;RQJQIBGLYQYBTC-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130289;MM130289;CC(=CC(F)(F)F)CN;PJRJRIDZOSHJCG-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130290;MM130290;CC(=CC(F)(F)F)CO;YVOSMQBDQMIWDI-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130291;MM130291;CC(=CC(F)(F)F)CF;GLHNECMPPHJMJP-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130292;MM130292;OCC(F)=CC(F)(F)F;GYJBBVSZSOKWLC-UHFFFAOYSA-N;144.07;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130293;MM130293;FCC(F)=CC(F)(F)F;YCBCLGNNEUTCEC-UHFFFAOYSA-N;146.06;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130294;MM130294;COC(C)=CC(C)(C)C;WQPGFODYOJCBPR-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130295;MM130295;COC(C)=CC(C)(C)N;DUGUNXXZZVELIJ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130296;MM130296;COC(C)=CC(C)(C)O;SHCOPDYMCHWJOF-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130297;MM130297;COC(C)=CC(C)(C)F;BUYVBERNABWFJS-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130298;MM130298;COC(C)=CC(C)(F)F;CJRVXTCHWPLAPC-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130299;MM130299;COC(C)=CC(F)(F)F;BJJWKYZKOJQDDY-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130300;MM130300;C=CC(C)=CC(C)(C)C;IEFRMZCNXATQEE-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130301;MM130301;CC(C=O)=CC(C)(C)C;ANXYYWCILNEABR-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130302;MM130302;CC(C#N)=CC(C)(C)C;RNURVCLODNWBCS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130303;MM130303;C=CC(F)=CC(C)(C)C;JCDIWDZMDLILJX-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130304;MM130304;CC(C)(C)C=C(F)C=O;HMZRCNHIRQWEKD-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130305;MM130305;CC(C)(C)C=C(F)C#N;YMSZDYGRRVNYSZ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130306;MM130306;C=CC(C)=CC(C)(C)N;FICNIDZVMZCHIN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130307;MM130307;C=CC(F)=CC(C)(C)N;WVKYAWQKPXQVJE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130308;MM130308;C#CC(C#N)CCON=C;XMGOJWICFBILDB-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130309;MM130309;CC(C#N)=CC(C)(C)O;YXZLOXCGMKGXKY-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130310;MM130310;C=CC(F)=CC(C)(C)O;GSLDAVHHJDUIID-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130311;MM130311;CC(C)(O)C=C(F)C=O;AXPWPKIXRPSBSQ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130312;MM130312;CC(C)(O)C=C(F)C#N;RGKZQUMFXYEZFA-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130313;MM130313;C=CC(C)=CC(C)(C)F;GTOWPTKDCMQEQT-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130314;MM130314;CC(C=O)=CC(C)(C)F;BZCHLNUELQYPPL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130315;MM130315;CC(C#N)=CC(C)(C)F;VYTHEJNUOLBNSB-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130316;MM130316;C=CC(F)=CC(C)(C)F;RCMYQCNPCQBTRP-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130317;MM130317;CC(C)(F)C=C(F)C=O;UZROATXNBLLIQN-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130318;MM130318;CC(C)(F)C=C(F)C#N;GNQVZSBOCLRMRU-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130319;MM130319;C=CC(C)=CC(C)(F)F;XAOBQULGYZVSBI-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130320;MM130320;CC(C=O)=CC(C)(F)F;DWLSAQDKYAMSLB-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130321;MM130321;CC(C#N)=CC(C)(F)F;XVUMASMMUMEAJH-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130322;MM130322;C=CC(F)=CC(C)(F)F;KOQIXUXTUQACMZ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130323;MM130323;CC(F)(F)C=C(F)C=O;BSKNZGBYOZCOQY-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130324;MM130324;CC(F)(F)C=C(F)C#N;UFZNDCRGPMDSSM-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130325;MM130325;C=CC(C)=CC(F)(F)F;ZBGIDKYKISEFHS-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130326;MM130326;CC(C=O)=CC(F)(F)F;BEGYIPWJJDQCJB-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130327;MM130327;CC(C#N)=CC(F)(F)F;YKZDIBLYNSALIB-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130328;MM130328;C=CC(F)=CC(F)(F)F;PZNRRAKTFFQSLY-UHFFFAOYSA-N;140.08;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130329;MM130329;C#CC(C)=CC(C)(C)C;LVQPRLDGRWAKIY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130330;MM130330;C#CC(F)=CC(C)(C)C;JVMWBJBKLCSMEJ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130331;MM130331;C#CC(C)=CC(C)(C)N;WGYHRBQJTGBBTN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130332;MM130332;C#CC(F)=CC(C)(C)N;YTRXRVBLOFNSAQ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130333;MM130333;CCC(CC)C(=N)NC=O;AMAZJRNJHUXLRM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130334;MM130334;C#CC(F)=CC(C)(C)O;UFWBNMHXXCSCBX-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130335;MM130335;C#CC(C)=CC(C)(C)F;FVTSCJKYNVQSSG-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130336;MM130336;C#CC(F)=CC(C)(C)F;VVQFTJUEJGUHIW-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130337;MM130337;C#CC(C)=CC(C)(F)F;HGHVVSDSIAQTLB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130338;MM130338;C#CC(F)=CC(C)(F)F;UQTIQECZYKECCC-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130339;MM130339;C#CC(C)=CC(F)(F)F;ZARBHBCZQZUPRG-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130340;MM130340;CC(C)CCC(C)(C)C;HHOSMYBYIHNXNO-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130341;MM130341;CC(N)CCC(C)(C)C;DRVYQZPUPGQDQY-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130342;MM130342;C=NNC(=O)C1(CC)CN1;JHNHTFBWLWYSDG-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130343;MM130343;CC(F)CCC(C)(C)C;JYPFUUHAMLEEPJ-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130344;MM130344;CC(C)CCC(C)(C)N;PETDUUBILQESSE-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130345;MM130345;CC(O)CCC(C)(C)N;KHAIUJDFVOWPRD-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130346;MM130346;CC(F)CCC(C)(C)N;VLGFXUDSABCKFS-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130347;MM130347;CCCC1CC(=NO)NN1;VLVMHWRJWVZIDR-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130348;MM130348;CC(N)CCC(C)(C)O;KWMPIZHCPKEDAE-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130349;MM130349;CC(O)CCC(C)(C)O;KZWQVDXGMOSSNY-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130350;MM130350;CC(F)CCC(C)(C)O;GXVQSFCPFKOIMK-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130351;MM130351;CC(C)(O)CCC(F)F;FYOZURRFDWTQPU-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130352;MM130352;CC(C)CCC(C)(C)F;JLHYBYBLSZSJJQ-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130353;MM130353;CC(N)CCC(C)(C)F;ORFAPYQKWJJKAZ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130354;MM130354;CC(F)CCC(C)(C)F;VLZUMGYRNHTINU-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130355;MM130355;CC(C)(F)CCC(F)F;MQIPHSIWONQSIB-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130356;MM130356;CC(C)CCC(C)(F)F;GTVYFWPQTBRDIZ-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130357;MM130357;CC(O)CCC(C)(F)F;NVUVDYJSNKQCKJ-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130358;MM130358;CC(F)CCC(C)(F)F;LKRSACFKTCUOHH-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130359;MM130359;CC(F)(F)CCC(F)F;ZUURYXRKQVIHOZ-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130360;MM130360;CC(N)CCC(F)(F)F;DKLTZLGWDAMODR-UHFFFAOYSA-N;141.14;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130361;MM130361;CC(F)CCC(F)(F)F;ZNDMBRODOBMMKM-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130362;MM130362;FC(F)CCC(F)(F)F;VWCRVILSEXWIIL-UHFFFAOYSA-N;148.07;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130363;MM130363;CC(C)NCC(C)(C)C;BWHQHJPJPNECDA-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130364;MM130364;CC(C)NCC(C)(C)N;BVVNMQQFLWWRFT-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130365;MM130365;CC(C)NCC(C)(C)O;SYZDMLOUOSPLHO-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130366;MM130366;CC(C)NCC(C)(C)F;RWJYOFFVEYLUAN-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130367;MM130367;CC(C)NCC(F)(F)F;HGYBLSGXXVTNCG-UHFFFAOYSA-N;141.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130368;MM130368;CC(C)OCC(C)(C)C;LHUUCXXIUDYTQX-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130369;MM130369;CC(C)OCC(C)(C)N;GNECDGRVHMCXGT-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130370;MM130370;CC(C)OCC(C)(C)O;IHGXRBJFCJZJSC-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130371;MM130371;CC(C)OCC(C)(C)F;QATZEKFZEVAAET-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130372;MM130372;CC(C)CNC(C)(C)C;KVYFSZGMVJSHDS-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130373;MM130373;CC(N)CNC(C)(C)C;RIYFUBHVNKIDAB-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130374;MM130374;CC(O)CNC(C)(C)C;AYNBYSNISOAOHW-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130375;MM130375;CC(F)CNC(C)(C)C;DVRNHLLIWQIOLR-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130376;MM130376;CC(C)COC(C)(C)C;UPOMCDPCTBJJDA-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130377;MM130377;CC(N)COC(C)(C)C;QOTBCSKXQXCOTD-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130378;MM130378;CC(O)COC(C)(C)C;GQCZPFJGIXHZMB-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130379;MM130379;CC(F)COC(C)(C)C;IJLOXDDWRPWOLK-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130380;MM130380;CN(C)CCC(C)(C)C;AEJXDZMWIUEKBG-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130381;MM130381;CN(C)CCC(C)(C)O;RJQUVLWORVOTCF-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130382;MM130382;CN(C)CCC(C)(C)F;PLVNDKYTPMRDHA-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130383;MM130383;CN(C)CCC(C)(F)F;XVXVXAMQWYEXGL-UHFFFAOYSA-N;137.17;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130384;MM130384;C=C(C)CCC(C)(C)C;GBQMYJAPIDGHKW-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130385;MM130385;CC(=O)CCC(C)(C)C;YPNIJJDUDQZZBP-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130386;MM130386;CC(C)(C)CCC(=N)N;RWDVJJOKONNKLN-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130387;MM130387;CCC1=C(C)C(=NO)CC1;RMKQONMUFPPCDG-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130388;MM130388;CC(C)(C)CCC(=O)O;HMMSZUQCCUWXRA-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130389;MM130389;C=C(F)CCC(C)(C)C;VOCHWBWOGASCLF-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130390;MM130390;C=C(C)CCC(C)(C)N;BMSAPLLXKYTHED-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130391;MM130391;CC(C)(N)CCC(N)=O;ZVRGGAPCJBKRHP-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130392;MM130392;C=C(F)CCC(C)(C)N;NHLNDEKHNAZOFF-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130393;MM130393;CN=C(C)NC=O;IPBAUZWQCKKYEY-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130394;MM130394;CC(C)(O)CCC(=N)N;VZLZNZVJRKPULF-UHFFFAOYSA-N;130.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130395;MM130395;CC(C)(O)CCC(N)=O;ODHLSCFFKRNLPG-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130396;MM130396;C=C(F)CCC(C)(C)O;YRCUJSJICJOUKD-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130397;MM130397;C=C(C)CCC(C)(C)F;UOESQFLTZTYPEZ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130398;MM130398;CC(=O)CCC(C)(C)F;UDXXCFBLAHFVSV-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130399;MM130399;CC(C)(F)CCC(=O)O;RKHCMZJEQQUZFV-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130400;MM130400;C=C(F)CCC(C)(C)F;KNXUFCXLNOMLGD-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130401;MM130401;C=C(C)CCC(C)(F)F;OHZLCPABNVCOBO-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130402;MM130402;CC(=O)CCC(C)(F)F;QCFIIHWZMZKVGO-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130403;MM130403;CC(F)(F)CCC(=O)O;IMDBVJNJIGOFTM-UHFFFAOYSA-N;138.11;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130404;MM130404;C=C(F)CCC(C)(F)F;YDAVTTXWIUGROU-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130405;MM130405;C=C(C)CCC(F)(F)F;ZDKUPLORQMIZOB-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130406;MM130406;CC(=O)CCC(F)(F)F;KSGFMCPOCNISNE-UHFFFAOYSA-N;140.1;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130407;MM130407;O=C(O)CCC(F)(F)F;WTUCTMYLCMVYEX-UHFFFAOYSA-N;142.08;1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130408;MM130408;C=C(F)CCC(F)(F)F;LLSMNYPAYFFRAX-UHFFFAOYSA-N;142.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130409;MM130409;CC(=N)NCC(C)(C)C;YXOMQIVVNCTEGF-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130410;MM130410;N=C(CCO)NC=O;QIJTVGVEZQWIBP-UHFFFAOYSA-N;116.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130411;MM130411;CC(C)(C)CNC(=N)N;UQIFFFDQJBCHGQ-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130412;MM130412;CC(C)(C)CNC(N)=O;XTNMUWVPABAFRL-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130413;MM130413;CC(=N)NCC(C)(C)N;QVACUVGUWVQZNN-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130414;MM130414;CC(C)(N)CNC(=N)N;HTUAKGRDUJCQPM-UHFFFAOYSA-N;130.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130415;MM130415;CC(C)(N)CNC(N)=O;IJPSRXDFSSPKQT-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130416;MM130416;CC(=N)NCC(C)(C)O;KZDHPJYXLZYRSN-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130417;MM130417;CC(=O)NCC(C)(C)O;RGRIOLGATYDLCP-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130418;MM130418;CC(C)(O)CNC(=N)N;DVMMEAUWUGXHMJ-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130419;MM130419;CC(C)(O)CNC(N)=O;ACHQUCRWYSKMKN-UHFFFAOYSA-N;132.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130420;MM130420;CC(=N)NCC(C)(C)F;MXRURLNKAQGTBQ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130421;MM130421;CC(=O)NCC(C)(C)F;LFBUCPKZHVPOGQ-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130422;MM130422;CC(=O)NCC(C)(F)F;UQXMWYMJXMPIDT-UHFFFAOYSA-N;137.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130423;MM130423;CC(F)(F)CNC(=N)N;YHIYBWKPMPZXNR-UHFFFAOYSA-N;137.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130424;MM130424;C=C(C)OCC(C)(C)C;OZDIEJLXGDNKQD-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130425;MM130425;CC(=O)OCC(C)(C)C;QLNYTCSELYEEPV-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130426;MM130426;CC(C)(C)COC(=N)N;SEEYIJPWAMYUKS-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130427;MM130427;CC(C)(C)COC(N)=O;AFQYFVWMIRMBAE-UHFFFAOYSA-N;131.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130428;MM130428;C=C(C)OCC(C)(C)N;APPKHFVFNCCZTL-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130429;MM130429;CC(C)(N)COC(=N)N;GYYAXDLFAZGDJG-UHFFFAOYSA-N;131.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130430;MM130430;C=C(C)OCC(C)(C)O;UTRDANINXXUESF-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130431;MM130431;CC(C)(O)COC(=N)N;CIIMCRNMQNFJCV-UHFFFAOYSA-N;132.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130432;MM130432;CC(C)(O)COC(N)=O;OGGVQSMTTMGOSE-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130433;MM130433;C=C(C)OCC(C)(C)F;POTQKVKMJSSEIY-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130434;MM130434;CC(=O)OCC(C)(C)F;RCSHNMZBKPGJFG-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130435;MM130435;CC(C)(F)COC(=N)N;YDOBEBFUKRDZIC-UHFFFAOYSA-N;134.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130436;MM130436;CC(C)(F)COC(N)=O;SCUSSZHSTBJLOV-UHFFFAOYSA-N;135.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130437;MM130437;C=C(C)OCC(C)(F)F;XXAKXOVAVIDGCM-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130438;MM130438;CC(=O)OCC(C)(F)F;SWAVRVSMNJEWSE-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130439;MM130439;C=C(C)OCC(F)(F)F;QQXQGARJKDIQHF-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130440;MM130440;CC(=O)OCC(F)(F)F;ZOWSJJBOQDKOHI-UHFFFAOYSA-N;142.08;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130441;MM130441;C=C(C)CNC(C)(C)C;YJZKHZXHJJZFKJ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130442;MM130442;CC(=O)CNC(C)(C)C;UWIRAFQKSOKJOI-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130443;MM130443;C=C(C)COC(C)(C)C;KDSXFKGMDKSELX-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130444;MM130444;CC(=O)COC(C)(C)C;KKJVWCBWUAYCRX-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130445;MM130445;CC(C)(C)OCC(=N)N;JOYDCDBZLFXIEK-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130446;MM130446;CC(C)(C)OCC(N)=O;XCJWDLNZICURGW-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130447;MM130447;C=C(F)COC(C)(C)C;UXPMKYPRUFIFSM-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130448;MM130448;CC(=O)NOC(C)(C)C;XUEJFMWOFQHSDE-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130449;MM130449;CC(C)C=CC(C)(C)C;TWZONWQQRUSASE-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130450;MM130450;CC(N)C=CC(C)(C)C;UXLVFJLIBORTCQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130451;MM130451;CC(O)C=CC(C)(C)C;ZOQNSGFAAIUNOP-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130452;MM130452;CC(F)C=CC(C)(C)C;UMJDBKRLCDTEQD-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130453;MM130453;CC(C)(C)C=CC(F)F;GVPAKUXSOLIFMN-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130454;MM130454;CC(C)C=CC(C)(C)N;FTGKIZYBKBAYHJ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130455;MM130455;CC(N)C=CC(C)(C)N;UMXHKJLLLSCMHZ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130456;MM130456;CC(O)C=CC(C)(C)N;KDIGSCQSDBINJJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130457;MM130457;CC(F)C=CC(C)(C)N;CKRSGHPPDWGCBE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130458;MM130458;CC(C)(N)C=CC(F)F;KDVLBCSYKNPFMM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130459;MM130459;C=CC=CC(C)=NO;CBEBGIFLBLYWDS-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130460;MM130460;CC(N)C=CC(C)(C)O;UKSVYWULNNMSME-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130461;MM130461;CC(F)C=CC(C)(C)O;HEKHUMRNAGIYSE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130462;MM130462;CC(C)(O)C=CC(F)F;IEFOAWOVXYMQEV-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130463;MM130463;CC(C)C=CC(C)(C)F;UTLXVXFQYONOEF-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130464;MM130464;CC(N)C=CC(C)(C)F;JXWJFFFQROJVTR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130465;MM130465;CC(O)C=CC(C)(C)F;PWYVXNGAKLMJOC-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130466;MM130466;CC(F)C=CC(C)(C)F;SKMNKXXCEIOTAO-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130467;MM130467;CC(N)C=CC(C)(F)F;KILNZISIMWVVAV-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130468;MM130468;CC(N)C=CC(F)(F)F;SUBAVNPCNBANPS-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130469;MM130469;CN(C)N=CC(C)(C)C;GHUPKCPUHJIMJC-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130470;MM130470;CN(C)N=CC(C)(C)F;ZUUXVODQCHXOEX-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130471;MM130471;CN(C)N=CC(C)(F)F;CWZFFYMTUKIOCF-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130472;MM130472;CN(C)C=NC(C)(C)C;PHNRCFCIKPZSFS-UHFFFAOYSA-N;128.22;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130473;MM130473;C=C(C)C=CC(C)(C)C;XDXAWBKCEPUWNT-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130474;MM130474;CC(=O)C=CC(C)(C)C;JKFZQQCNCCECKX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130475;MM130475;CC(C)(C)C=CC(=N)N;AZUJBLDBSPUQHW-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130476;MM130476;OCC1CN1C=NO;VAGCTZLSHOUEJY-UHFFFAOYSA-N;116.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130477;MM130477;CC(C)(C)C=CC(=O)O;RPVPMVHPERYZNF-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130478;MM130478;C=C(F)C=CC(C)(C)C;OSWZYJIBZFOORA-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130479;MM130479;C=C(C)C=CC(C)(C)N;XZZAQPFQOWZIKY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130480;MM130480;CC(C)(N)C=CC(=N)N;HPZMOZQNRNUOSJ-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130481;MM130481;C=C(F)C=CC(C)(C)N;NGLAYFVIJCKHBQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130482;MM130482;O=CNC(=O)C1CN1;JMJXJEZONSKFKD-UHFFFAOYSA-N;114.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130483;MM130483;CC(=O)C=CC(C)(C)O;GFOVBQGKFYLJIJ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130484;MM130484;CC(C)(O)C=CC(=N)N;WTGWROFMNFWZSU-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130485;MM130485;CCC(C=C(C)C)=NO;RPCGMXCRHCLCEL-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130486;MM130486;C=C(F)C=CC(C)(C)O;GDMXRRHXWZOPIF-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130487;MM130487;C=C(C)C=CC(C)(C)F;RTMCCTDKFPDYTG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130488;MM130488;CC(=O)C=CC(C)(C)F;NKJGYGPSUFLHJH-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130489;MM130489;C=C(F)C=CC(C)(C)F;LBYKCAHVRVYQBY-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130490;MM130490;C=C(C)C=CC(C)(F)F;PAPFSWBHHSWDPZ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130491;MM130491;CC(=O)C=CC(C)(F)F;GTANUHUHYWSZSN-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130492;MM130492;CC(F)(F)C=CC(=N)N;KVZKBPLCFQJWBF-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130493;MM130493;CC(=O)C=CC(F)(F)F;IQUVUQSZDQNGPN-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130494;MM130494;NC(=O)C=CC(F)(F)F;UUJWVXVMQOGZID-UHFFFAOYSA-N;139.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130495;MM130495;CC(C)C#CC(C)(C)C;DKFPMSNUJIRAMR-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130496;MM130496;CC(N)C#CC(C)(C)C;LIFTXBUVVRMBTP-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130497;MM130497;CC(O)C#CC(C)(C)C;LXJTVAJEVGIAMA-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130498;MM130498;CC(F)C#CC(C)(C)C;FIMOPOSMXPEGKQ-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130499;MM130499;CC(C)(C)C#CC(F)F;JOLBXCBEGHPYRE-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130500;MM130500;CC(C)C#CC(C)(C)N;NLYZLSXDOLBJCC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130501;MM130501;CC(O)C#CC(C)(C)N;PTGYPWYEPVTFRU-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130502;MM130502;CC(C)(N)C#CC(F)F;ATSKLHHMDZMESS-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130503;MM130503;CC(C)C#CC(C)(C)O;JQBFREYGLSKPCL-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130504;MM130504;CC(N)C#CC(C)(C)O;JDPGGDKJUFLNQN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130505;MM130505;CC(C)(O)C#CC(F)F;ASNPAMDMVLUVSL-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130506;MM130506;CC(C)C#CC(C)(C)F;VXRRWVHSCBCOLY-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130507;MM130507;CC(N)C#CC(C)(C)F;ISXCYZUMZYNLKT-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130508;MM130508;CC(O)C#CC(C)(C)F;GKRJHYHEEWLPBN-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130509;MM130509;CC(F)C#CC(C)(C)F;VQDLRTHHUOQMON-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130510;MM130510;CC(C)(F)C#CC(F)F;ZSVREFWVFLBPAJ-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130511;MM130511;CC(C)C#CC(C)(F)F;LDDTWGSZZMBXBP-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130512;MM130512;CC(N)C#CC(C)(F)F;CYJDJZXYGIVZGN-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130513;MM130513;CC(O)C#CC(C)(F)F;DDWXFTMOFDJFNJ-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130514;MM130514;CC(F)C#CC(C)(F)F;GCUBHJIWSPQBAK-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130515;MM130515;CC(F)(F)C#CC(F)F;FSMXNFSWEURDKH-UHFFFAOYSA-N;140.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130516;MM130516;CC(C)C#CC(F)(F)F;HFKUSOXSUUXGBJ-UHFFFAOYSA-N;136.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130517;MM130517;CC(N)C#CC(F)(F)F;IYECWVMCMWLSLM-UHFFFAOYSA-N;137.1;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130518;MM130518;CC(O)C#CC(F)(F)F;UHGWURGSCDBZRO-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130519;MM130519;CC(F)C#CC(F)(F)F;OZYXBRXTWTVLSD-UHFFFAOYSA-N;140.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130520;MM130520;FC(F)C#CC(F)(F)F;XDKSERAUGBXRSE-UHFFFAOYSA-N;144.04;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130521;MM130521;C=C(C)C#CC(C)(C)C;KHPXLOYGMFWVJI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130522;MM130522;CC(=O)C#CC(C)(C)C;QKYJXFWNIYQOJZ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130523;MM130523;CC(C)(C)C#CC(=N)N;IRBMALSRJNAFCM-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130524;MM130524;CC(C)(C)C#CC(N)=O;PUYQAHGZROTQSJ-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130525;MM130525;CC(C)(C)C#CC(=O)O;NAQCQFVKNLZQHE-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130526;MM130526;C=C(F)C#CC(C)(C)C;JFHVETDDOLFYLQ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130527;MM130527;C=C(C)C#CC(C)(C)N;OHIQPOOJNUWWJX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130528;MM130528;C=C(F)C#CC(C)(C)N;DVBJQRNAUPIVOZ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130529;MM130529;C=C(C)C#CC(C)(C)O;SJZSEHKYVTZQSS-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130530;MM130530;CC(C)(O)C#CC(N)=O;WKJQGDFCIFBZHJ-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130531;MM130531;C=C(F)C#CC(C)(C)O;NVVGYWLEENIGRO-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130532;MM130532;C=C(C)C#CC(C)(C)F;KKYYMSPUPJNTSX-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130533;MM130533;CC(=O)C#CC(C)(C)F;PIOGVYOFXYYVDE-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130534;MM130534;CC(C)(F)C#CC(=N)N;MRWGRWAANVIULF-UHFFFAOYSA-N;128.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130535;MM130535;CC(C)(F)C#CC(N)=O;HVVZAVSLGZGSGB-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130536;MM130536;CC(C)(F)C#CC(=O)O;SODRMFIAWGIBEA-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130537;MM130537;C=C(F)C#CC(C)(C)F;YXWGBYHLUUQAOH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130538;MM130538;C=C(C)C#CC(C)(F)F;UBKCVVOWWLMUPR-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130539;MM130539;CC(=O)C#CC(C)(F)F;LTHBQRZLMPCRTM-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130540;MM130540;CC(F)(F)C#CC(=O)O;GQEXDVKCYGCVAP-UHFFFAOYSA-N;134.08;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130541;MM130541;C=C(F)C#CC(C)(F)F;DUUUGAANSAZJEF-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130542;MM130542;C=C(C)C#CC(F)(F)F;TXSGNLIQEOKHBW-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130543;MM130543;CC(=O)C#CC(F)(F)F;YCPLIHZDEYRSKS-UHFFFAOYSA-N;136.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130544;MM130544;C=C(F)C#CC(F)(F)F;WOXVHNBXAVVHPB-UHFFFAOYSA-N;138.06;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130545;MM130545;CC(C)=CCC(C)(C)C;HRQAGBJHQCEBBY-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130546;MM130546;CC(F)=CCC(C)(C)C;CEGSWXRPTSQIHH-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130547;MM130547;CC(C)(C)CC=C(F)F;PTINZJPPBAZIET-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130548;MM130548;CC(C)=CCC(C)(C)N;MBRSQOROHDVOGL-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130549;MM130549;CC(F)=CCC(C)(C)N;PWQUPDZSMYSFCN-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130550;MM130550;CC(C)(N)CC=C(F)F;FXJKWHABANESKB-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130551;MM130551;C=C(C)CC=CC=NO;ZXOCQGKCVBHSDC-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130552;MM130552;CC(F)=CCC(C)(C)O;ZKLFUAUNDIAVIG-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130553;MM130553;CC(C)(O)CC=C(F)F;COOJLVPXNRYFGY-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130554;MM130554;CC(C)=CCC(C)(C)F;CHCWOEICWJPSES-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130555;MM130555;CC(F)=CCC(C)(C)F;CSWDTWVWPGRISL-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130556;MM130556;CC(C)(F)CC=C(F)F;CXJFOBOHXOGJTI-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130557;MM130557;CC(C)=CCC(C)(F)F;VRPWQGWICHQGAT-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130558;MM130558;CC(F)=CCC(C)(F)F;FDFOYRDFOWYAGH-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130559;MM130559;CC(C)=CCC(F)(F)F;OENVHBDUFPTPFN-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130560;MM130560;CC(C)=NNC(C)(C)C;CCJBVQVESWDQKR-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130561;MM130561;CC(C)=COC(C)(C)C;BLBYJAUIAQVNLH-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130562;MM130562;CC(F)=COC(C)(C)C;RGRLBLDHYJYSID-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130563;MM130563;CC(C)(C)OC=C(F)F;GEGXTUMCOCDPJG-UHFFFAOYSA-N;136.14;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130564;MM130564;CC(C)=NOC(C)(C)C;RQOFCOZDHJGWDN-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130565;MM130565;CCC(C)(C)CC(C)C;SVEMKBCPZYWEPH-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130566;MM130566;CC(C)CC(C)(C)CN;AKYZNGLLWXGHMQ-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130567;MM130567;NC(CO)C(=O)NC=O;GINNFIDXUGUSDL-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130568;MM130568;CC(C)CC(C)(C)CF;QBZBDLKOSCXQAW-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130569;MM130569;CCC(C)(C)CC(C)N;YOFHPRHFLRYAEI-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130570;MM130570;CC(N)CC(C)(C)CN;MWSLMJKIUIZVEE-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130571;MM130571;CC(N)CC(C)(C)CO;NYQXNVIHMWCHEB-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130572;MM130572;CC(N)CC(C)(C)CF;JYVZIPGBXZJPJG-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130573;MM130573;C=C(CO)C(=O)NC=N;UUMPWUXZNLLAEM-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130574;MM130574;CC(O)CC(C)(C)CN;HURLLCJYGATXPR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130575;MM130575;CC(O)CC(C)(C)CO;PHNDFOOEKCHRTF-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130576;MM130576;CC(O)CC(C)(C)CF;GRCYNSBCVUGDFG-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130577;MM130577;CCC(C)(C)CC(C)F;UGTKKEHOEYYOTL-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130578;MM130578;CC(F)CC(C)(C)CN;SKLLYYJYRWDMQY-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130579;MM130579;CC(F)CC(C)(C)CO;FTYRKCPBWTTWLN-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130580;MM130580;CC(F)CC(C)(C)CF;FLCMPSCCXMINOB-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130581;MM130581;CCC(C)(C)CC(F)F;XYOXTMOIDRENSJ-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130582;MM130582;CC(C)(CF)CC(F)F;FFVPBVAXZXJCNY-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130583;MM130583;CCC(C)(N)CC(C)C;AXJOZFAYYBUILC-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130584;MM130584;CC(C)CC(C)(N)CN;JIWVNNBIBQCVCD-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130585;MM130585;CC(C)CC(C)(N)CF;QFMBWYNTKUAMBF-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130586;MM130586;CC(N)CC(C)(N)CN;FJMKNMDVKZJKJS-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130587;MM130587;CCC(C)(N)CC(C)O;CRDOUYGIRLSAJI-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130588;MM130588;CC(O)CC(C)(N)CN;UNJJUODEKYIDFA-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130589;MM130589;CC(O)CC(C)(N)CO;NGOZNAXAKNFSEZ-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130590;MM130590;CCC(C)(N)CC(C)F;VIEJACDMDAOIGR-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130591;MM130591;CC(F)CC(C)(N)CN;FEARKLWEGOXFIS-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130592;MM130592;CC(F)CC(C)(N)CF;LQYZWUWSNFNWCZ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130593;MM130593;CCC(C)(N)CC(F)F;ZWYLDJPRWYZUMU-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130594;MM130594;CC(N)(CN)CC(F)F;JSDVXLSUEWMQNK-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130595;MM130595;CC(N)(CF)CC(F)F;IXZJERLZZAVELS-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130596;MM130596;CN1CC(=NO)C=C1N;OPERTUYZQYLZTH-UHFFFAOYSA-N;127.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130597;MM130597;CC(C)CC(C)(O)CO;WVDZBDZXQWXZRA-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130598;MM130598;CCC(C)(O)CC(C)N;BABJBXFKTXOWHX-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130599;MM130599;CCC(C)(O)CC(C)O;UFPKCZXPUJSYMN-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130600;MM130600;CC(O)CC(C)(O)CO;OMXLSJPESIOAGG-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130601;MM130601;CCC(C)(O)CC(C)F;RXQZPQFUODPDEA-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130602;MM130602;CCC(C)(O)CC(F)F;IAXANXFGVFKVTG-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130603;MM130603;CC(O)(CF)CC(F)F;VASAXOFUJOWKGP-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130604;MM130604;CCC(C)(F)CC(C)C;GHOWPZQNQAWPKN-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130605;MM130605;CC(C)CC(C)(F)CN;OIHCMWZFSBSQTC-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130606;MM130606;CC(C)CC(C)(F)CO;POWAXQIZAJQFBA-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130607;MM130607;CCC(C)(F)CC(C)N;OSTZDTIGFJVDHY-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130608;MM130608;CC(N)CC(C)(F)CN;FNHYXHIAIOFBIB-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130609;MM130609;CC(N)CC(C)(F)CF;XVKFSRYIDVQZPU-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130610;MM130610;CCC(C)(F)CC(C)O;OGDZWLDJKRRANC-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130611;MM130611;CC(O)CC(C)(F)CF;SBHFVFPUBRJCOS-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130612;MM130612;CCC(C)(F)CC(C)F;JSQJULFYZOIFFN-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130613;MM130613;CC(F)CC(C)(F)CN;ACHBFVBIVJCFEW-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130614;MM130614;CC(F)CC(C)(F)CF;NZFVUFWWKLEDRO-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130615;MM130615;CCC(C)(F)CC(F)F;QWOKRUODLSLYPY-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130616;MM130616;CC(F)(CN)CC(F)F;OXMIEYWWGICKGF-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130617;MM130617;CC(F)(CF)CC(F)F;KJKHSVGIMBOIFH-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130618;MM130618;CCC(F)(F)CC(C)C;SXUPCXFKMSKXRV-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130619;MM130619;CCC(F)(F)CC(C)N;LOFQOWUXBZJQIB-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130620;MM130620;CCC(F)(F)CC(C)O;KISFYBDCKXUKOQ-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130621;MM130621;CCC(F)(F)CC(C)F;UQBUKDAOWBVCHZ-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130622;MM130622;CCC(F)(F)CC(F)F;PZECCDANGNVSIV-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130623;MM130623;OCC(F)(F)CC(F)F;VJAJKGRSWVTXLC-UHFFFAOYSA-N;146.08;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130624;MM130624;CNC(C)(C)CC(C)C;JFQJHJCTJYAIAM-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130625;MM130625;CNC(C)(C)CC(C)N;SAKGOYVQTSICKT-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130626;MM130626;CNC(C)(C)CC(C)O;AGKLIXYBSDVGRD-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130627;MM130627;CNC(C)(C)CC(C)F;ZGMOPIBLEZADDB-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130628;MM130628;CNC(C)(C)CC(F)F;CRLQFCSYFXNAIA-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130629;MM130629;COC(C)(C)CC(C)C;YRSWRMLCSAFQSX-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130630;MM130630;COC(C)(C)CC(C)N;GGSAMCDSFWBGCU-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130631;MM130631;COC(C)(C)CC(C)O;OMSLSFZIEVFEIH-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130632;MM130632;COC(C)(C)CC(C)F;AZGDISKSFCIVRA-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130633;MM130633;COC(C)(C)CC(F)F;ZWNPJVFBGLJFGF-UHFFFAOYSA-N;138.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130634;MM130634;CCC(C)(C)NC(C)C;SGRBRAQXECVTBV-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130635;MM130635;CC(C)NC(C)(C)CN;ULZVZRVDMKHKAL-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130636;MM130636;CC(C)NC(C)(C)CO;WZSRNAWJDQGJEY-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130637;MM130637;CC(C)NC(C)(C)CF;AWKFNAAVHGFFNK-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130638;MM130638;CCC(C)(C)OC(C)C;WICKZWVCTKHMNG-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130639;MM130639;CC(C)OC(C)(C)CN;JLLKWXDFQXFXSX-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130640;MM130640;CC(C)OC(C)(C)CO;SCCFIIJWZWAXFL-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130641;MM130641;CC(C)OC(C)(C)CF;SQOPGJMIDYJYDA-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130642;MM130642;COC(C)(C)OC(C)C;HBBLUNQNLJWOMW-UHFFFAOYSA-N;132.2;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130643;MM130643;CCC(C)(C)CN(C)C;KJZHCGQVJFNGRJ-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130644;MM130644;CN(C)CC(C)(C)CO;PYEWZDAEJUUIJX-UHFFFAOYSA-N;131.22;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130645;MM130645;CN(C)CC(C)(C)CF;QSXNFDKODUMZNT-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130646;MM130646;CN(C)CC(C)(N)CO;JXAFPTKIRWJUII-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130647;MM130647;CN(C)CC(C)(O)CN;RVVWAUIOBTWDNB-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130648;MM130648;CN(C)CC(C)(O)CO;QPYSZRQKRMBPLZ-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130649;MM130649;CN(C)CC(C)(F)CN;PFHHGSXZPHCLNE-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130650;MM130650;CCC(F)(F)CN(C)C;ZAXVZZCQPAMXBN-UHFFFAOYSA-N;137.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130651;MM130651;CNC(C)(C)CN(C)C;DWDKWWUNXACCSS-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130652;MM130652;COC(C)(C)CN(C)C;CWGCRHHEDPKHGT-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130653;MM130653;C=CC(C)(C)CC(C)C;JWKWSKMAPDHZIR-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130654;MM130654;CC(C)CC(C)(C)C=O;RYMBYRHQENVRPJ-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130655;MM130655;CC(C)CC(C)(C)C#N;FSKRSJMYNXGUBM-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130656;MM130656;C=CC(C)(C)CC(C)N;QPLZAMDMUGSSTR-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130657;MM130657;CC=CCC=CC=NO;HTLVUCOLXSSJFF-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130658;MM130658;CC(O)CC(C)(C)C=O;OUAMZEAZHSQNJN-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130659;MM130659;CC(O)CC(C)(C)C#N;XQECPPLLPQLGBZ-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130660;MM130660;C=CC(C)(C)CC(C)F;ZRPBFVBGNPYYIM-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130661;MM130661;CC(F)CC(C)(C)C=O;LEXUCQGUSFINBP-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130662;MM130662;CC(F)CC(C)(C)C#N;CFYLLGKZNWUMAL-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130663;MM130663;C=CC(C)(C)CC(F)F;HLVRKHQFNJIQFU-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130664;MM130664;CC(C)(C=O)CC(F)F;VKVGHFBQHZFJPE-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130665;MM130665;CC(C)(C#N)CC(F)F;ONJCAXYFCJJOGW-UHFFFAOYSA-N;133.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130666;MM130666;C=CC(C)(N)CC(C)C;QUOANSOQQZNQMI-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130667;MM130667;C=CC(C)(N)CC(C)F;RHPJAMTVAFFEAH-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130668;MM130668;CC(O)(C=NN)C(=O)NN;SZCITKUUSBJDSS-UHFFFAOYSA-N;146.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130669;MM130669;CC(C)CC(C)(O)C#N;DWZKXPAWEWMLEJ-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130670;MM130670;CC(O)CC(C)(O)C=O;SBZKRNQNNMDOJS-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130671;MM130671;C=CC(C)(O)CC(C)F;VSAQAVLTQASLNV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130672;MM130672;C=CC(C)(O)CC(F)F;CQWJQQHGXGMDPH-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130673;MM130673;CC(O)(C#N)CC(F)F;BEGAPIFCUMHJCG-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130674;MM130674;C=CC(C)(F)CC(C)C;SPTDFXYOBVJWRF-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130675;MM130675;CC(C)CC(C)(F)C=O;SMBCMCIJGLEOPR-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130676;MM130676;CC(C)CC(C)(F)C#N;FVGYNHDWFRDPPK-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130677;MM130677;C=CC(C)(F)CC(C)N;QBADZGRQAAMMJH-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130678;MM130678;C=CC(C)(F)CC(C)O;VKWVNPJCUIOFCE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130679;MM130679;C=CC(C)(F)CC(C)F;SQYARFQAWXMMQF-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130680;MM130680;CC(F)CC(C)(F)C=O;CKIZJVCZICUOQH-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130681;MM130681;CC(F)CC(C)(F)C#N;OZHJFQFEEKOQCR-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130682;MM130682;C=CC(C)(F)CC(F)F;FMHITJYTQJTJRM-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130683;MM130683;CC(F)(C=O)CC(F)F;NQURXUMSRAKQRI-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130684;MM130684;CC(F)(C#N)CC(F)F;AYTLPMAQYWHRHY-UHFFFAOYSA-N;137.1;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130685;MM130685;C=CC(F)(F)CC(C)C;MCEYRDZRBWGGGA-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130686;MM130686;C=CC(F)(F)CC(C)N;KYYWRCWJNACUCO-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130687;MM130687;C=CC(F)(F)CC(C)O;UZPRQBJHLVEYIF-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130688;MM130688;C=CC(F)(F)CC(C)F;NDEAJDIKGURDPO-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130689;MM130689;N#CC(F)(F)CC(F)F;SIVHEADTEIGBAO-UHFFFAOYSA-N;141.07;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130690;MM130690;C=CC(C)(C)NC(C)C;AVIPMNHNZPPPGY-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130691;MM130691;CC(C)NC(C)(C)C=O;OJXAKNLTIMEHGV-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130692;MM130692;CC(C)NC(C)(C)C#N;DIVFMQDYRZEDFX-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130693;MM130693;C=CC(C)(C)OC(C)C;JCVHDJHWMFCULI-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130694;MM130694;CC(C)OC(C)(C)C=O;HEVUBFGBYDPOPG-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130695;MM130695;CC(C)OC(C)(C)C#N;ACFQQFYOXWRQRU-UHFFFAOYSA-N;127.19;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130696;MM130696;C=CC(C)(C)CN(C)C;WVJHIUIDTFHULJ-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130697;MM130697;C=CC(F)(F)CN(C)C;MJBMLGBXFXVMDP-UHFFFAOYSA-N;135.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130698;MM130698;C#CC(C)(C)CC(C)C;PVDFPTHRJOJVGL-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130699;MM130699;C#CC(C)(C)CC(C)N;VGOVTPVQTYSDPQ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130700;MM130700;C#CC(C)CC(=O)NC=N;YFMHHXSHALGEQL-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130701;MM130701;C#CC(C)(C)CC(C)F;PSDDYWISAWMJMP-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130702;MM130702;C#CC(C)(C)CC(F)F;QSSSMTDHODNTMO-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130703;MM130703;C#CC(C)(N)CC(C)C;XBHKMNOQOHZJIV-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130704;MM130704;C#CC(C)(N)CC(C)F;OWHQSLQXCGFLBS-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130705;MM130705;C#CC(C)(N)CC(F)F;XZOAURQFFRINRY-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130706;MM130706;C#CC(C)(O)CC(C)C;NECRQCBKTGZNMH-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130707;MM130707;C#CC(C)(O)CC(C)F;PBRRUDONRBMQED-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130708;MM130708;C#CC(C)(O)CC(F)F;INHLTIOUWGLMRN-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130709;MM130709;C#CC(C)(F)CC(C)C;LSCYPZTXQOSJQO-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130710;MM130710;C#CC(C)(F)CC(C)F;BRARQOGIWOENDK-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130711;MM130711;C#CC(C)(F)CC(F)F;WCPAQWPXLCTVRD-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130712;MM130712;C#CC(F)(F)CC(C)O;FDDNRAJEHPGSSB-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130713;MM130713;C#CC(C)(C)OC(C)C;UFUKPFOCIGKDCB-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130714;MM130714;C#CC(C)(C)CN(C)C;AZEFRTQSCWNTFS-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130715;MM130715;C#CC(F)(F)CN(C)C;OLKKPQAKOQTSAU-UHFFFAOYSA-N;133.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130716;MM130716;C=C(C)CC(C)(C)CC;AVKVJWFFVHGHLJ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130717;MM130717;C=C(C)CC(C)(C)CN;UACFNVIPGQEHBJ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130718;MM130718;CC(=O)NC(=CNN)N=O;YNUUKVPJWXQICW-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130719;MM130719;C=C(C)CC(C)(C)CF;YYBPTHFHFBXONL-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130720;MM130720;CCC(C)(C)CC(C)=O;GUHILFBUKAVJSQ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130721;MM130721;CC(=O)CC(C)(C)CF;XHSWIVFBPWQHPX-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130722;MM130722;CCC(C)(C)CC(=N)N;FEOALNHNIAQAOO-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130723;MM130723;CC(C)(CO)CC(=N)N;JWOZYQOSZMGVLG-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130724;MM130724;CC(C)(CF)CC(=N)N;MAXAPCSUXIDGLP-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130725;MM130725;C=NOCCC(=N)NC=O;VKFMEXUBXDSFIC-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130726;MM130726;CC(C)(CN)CC(N)=O;CBSVIYHJCZPIQG-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130727;MM130727;CC(C)(CO)CC(N)=O;BHCVWPVYBPQCLV-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130728;MM130728;CCC(C)(C)CC(=O)O;UPURPFNAFBQPON-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130729;MM130729;CC(C)(CF)CC(=O)O;HUULOKIVUXOTCX-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130730;MM130730;C=C(F)CC(C)(C)CC;AUKBZZIDGGKVCF-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130731;MM130731;C=C(F)CC(C)(C)CN;KFTRAIOCPGVAQQ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130732;MM130732;C=C(C)CC(C)(N)CC;QGLQTGJZPXXDHH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130733;MM130733;C=C(C)CC(C)(N)CF;MKHYWCGHVKPOLM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130734;MM130734;CCC(C)(N)CC(=N)N;NTDOHLLSCXGPEG-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130735;MM130735;CC(N)(CN)CC(=N)N;OMLZRDVICLSWAS-UHFFFAOYSA-N;130.2;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130736;MM130736;CC(N)(CO)CC(=N)N;UKBILZZXEFWRJV-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130737;MM130737;CCC(C)(N)CC(N)=O;QYICRYSZGHABCP-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130738;MM130738;CC(N)(CN)CC(N)=O;ZSTQJRXOAHRRHI-UHFFFAOYSA-N;131.18;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130739;MM130739;CC(N)(CO)CC(N)=O;JJBJEDDIRVYNFX-UHFFFAOYSA-N;132.16;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130740;MM130740;C=C(F)CC(C)(N)CC;JLGSLUBZCHYYTO-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130741;MM130741;C=C(F)CC(C)(N)CN;ZYGJQCBMRXNQON-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130742;MM130742;C=C(F)CC(C)(N)CF;DZXAVCVGHIKEQJ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130743;MM130743;CN(C=NO)CCC=CF;QVVSCDJIJRMUDS-UHFFFAOYSA-N;146.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130744;MM130744;C=C(C)CC(C)(O)CO;NQVRHHYYKWCTPC-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130745;MM130745;C=C(C)CC(C)(O)CF;BYFFRIOUHXZRII-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130746;MM130746;CC(O)(CN)CC(=N)N;XAPXJEUYQOWFOC-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130747;MM130747;CC(O)(CO)CC(=N)N;NTEFZMPIYRICFM-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130748;MM130748;CC(O)(CN)CC(N)=O;FYXLPHRNQPNYCN-UHFFFAOYSA-N;132.16;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130749;MM130749;CC(O)(CO)CC(N)=O;DRIKSSVKVRXXFG-UHFFFAOYSA-N;133.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130750;MM130750;C=C(F)CC(C)(O)CC;QLCYHRFVUIAZPT-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130751;MM130751;C=C(F)CC(C)(O)CN;YTRNOBDYJHXOQT-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130752;MM130752;C=C(F)CC(C)(O)CF;WHCUSNKBPWYTKH-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130753;MM130753;C=C(C)CC(C)(F)CC;STPDIVXUTWRMMK-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130754;MM130754;C=C(C)CC(C)(F)CN;IPDSALYTEVRCBO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130755;MM130755;C=C(C)CC(C)(F)CO;QJXXCZFLLSRISC-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130756;MM130756;C=C(C)CC(C)(F)CF;ODGYTESPSNCFEJ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130757;MM130757;CCC(C)(F)CC(C)=O;DUQPTGWPICXDRN-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130758;MM130758;CC(=O)CC(C)(F)CF;JIQBGYJJYVNMEX-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130759;MM130759;CCC(C)(F)CC(=N)N;RAIJMCFJXGAMEQ-UHFFFAOYSA-N;132.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130760;MM130760;CC(F)(CN)CC(=N)N;VOCMAFNDYNAMEP-UHFFFAOYSA-N;133.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130761;MM130761;CC(F)(CO)CC(=N)N;CXPLXDFLTSPLDK-UHFFFAOYSA-N;134.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130762;MM130762;CCC(C)(F)CC(N)=O;HIDAUPQDYJAHKD-UHFFFAOYSA-N;133.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130763;MM130763;CC(F)(CN)CC(N)=O;NJFPVKGQMGGMGL-UHFFFAOYSA-N;134.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130764;MM130764;CC(F)(CO)CC(N)=O;VOOGOBFORXUQIG-UHFFFAOYSA-N;135.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130765;MM130765;CC(F)(CF)CC(N)=O;BMDWXENWPBBAJS-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130766;MM130766;CC(F)(CF)CC(=O)O;SOWHHGIXXDOTOA-UHFFFAOYSA-N;138.11;1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130767;MM130767;C=C(F)CC(C)(F)CC;OKNFAWMHYQLCEU-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130768;MM130768;C=C(F)CC(C)(F)CN;IYBGDTZTLZTBRC-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130769;MM130769;C=C(C)CC(F)(F)CC;ZGCOLMMRMLEMCC-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130770;MM130770;C=C(C)CC(F)(F)CF;KDUSSQHBOXXFLG-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130771;MM130771;CCC(F)(F)CC(C)=O;MRCMIUQTTVTYKH-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130772;MM130772;CCC(F)(F)CC(=N)N;SGZLUVJDWXJKSB-UHFFFAOYSA-N;136.15;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130773;MM130773;N=C(N)CC(F)(F)CO;JFQRWXGMZLHMMI-UHFFFAOYSA-N;138.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130774;MM130774;CCC(F)(F)CC(N)=O;POUYNEDAOCBTBI-UHFFFAOYSA-N;137.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130775;MM130775;NC(=O)CC(F)(F)CO;GZQVTOGULQPOPN-UHFFFAOYSA-N;139.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130776;MM130776;NC(=O)CC(F)(F)CF;OXUSLRCUSFHNKW-UHFFFAOYSA-N;141.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130777;MM130777;CCC(F)(F)CC(=O)O;NZTULHWJWZJAMQ-UHFFFAOYSA-N;138.11;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130778;MM130778;C=C(F)CC(F)(F)CO;JKYNDBKMCPYCQM-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130779;MM130779;C=C(C)CC(C)(C)NC;RGBUOUXQZNUWEE-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130780;MM130780;CNC(C)(C)CC(=N)N;ZCKVFMGEXVRTQH-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130781;MM130781;CNC(C)(C)CC(N)=O;HUTNHOZXNSWSDR-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130782;MM130782;C=C(F)CC(C)(C)NC;ICUIFAAIGVHBOK-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130783;MM130783;C=C(C)CC(C)(C)OC;VCMSWNMHVNUVME-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130784;MM130784;C=C(F)CC(C)(C)OC;QOLVPJMUWCSSRX-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130785;MM130785;CCC(C)(C)NC(C)=N;JEQMLQOBTRSVBV-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130786;MM130786;CC(=N)NC(C)(C)CN;VZGVUPPRWNDWGL-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130787;MM130787;CC(=N)NC(C)(C)CF;QCKJFMROMBTOPI-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130788;MM130788;CCN=CNC(=O)C=CN;RRWKIUYOJQMTII-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130789;MM130789;CC(=O)NC(C)(C)CO;WSEURCHZECZCGQ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130790;MM130790;CCC(C)(C)NC(=N)N;DICWDBCXAPZQGZ-UHFFFAOYSA-N;129.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130791;MM130791;CC(C)(CN)NC(=N)N;ULZPQRAOCGFPJP-UHFFFAOYSA-N;130.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130792;MM130792;CC(C)(CF)NC(=N)N;QONZPYJJRWTJAO-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130793;MM130793;CC(C)(CN)NC(N)=O;XVKCWRBKCJYYFW-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130794;MM130794;CC(C)(CF)NC(N)=O;PQPRNWWMPDLRIP-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130795;MM130795;C=C(C)OC(C)(C)CC;XUHFLOFFWNTAFT-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130796;MM130796;C=C(C)OC(C)(C)CN;SNZMLKHDNAAUQO-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130797;MM130797;C=C(C)OC(C)(C)CO;GWAXSISHIVGEGX-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130798;MM130798;C=C(C)OC(C)(C)CF;MYONXSRHRNPLDP-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130799;MM130799;CCC(C)(C)OC(C)=O;JCCIFDCPHCKATH-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130800;MM130800;CC(=O)OC(C)(C)CN;KVRWIDXKTNZMES-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130801;MM130801;CC(=O)OC(C)(C)CF;HECNJIWPGMJJKL-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130802;MM130802;CCC(C)(C)OC(=N)N;MFKFXPVXBBISFP-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130803;MM130803;CC(C)(CN)OC(=N)N;PNYQTNUAGWLTJG-UHFFFAOYSA-N;131.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130804;MM130804;CC(C)(CO)OC(=N)N;WNBHYYRNXMYJIF-UHFFFAOYSA-N;132.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130805;MM130805;CC(C)(CO)OC(N)=O;CXMNWDWZUQFNPT-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130806;MM130806;C=C(C)OC(C)(C)OC;JTTAEHZFSUORKV-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130807;MM130807;C=CC(C)(C)CC(=C)C;LLJZARPNVYREFJ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130808;MM130808;C=C(C)CC(C)(C)C=O;XEPXJFGILQDRGH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130809;MM130809;C=C(C)CC(C)(C)C#N;UMLVBDXXAJOJSD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130810;MM130810;C=CC(C)(C)CC(C)=O;RGSRIZLHFCLBPC-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130811;MM130811;C=CC(C)(C)CC(=N)N;DXANNCQAMHARJY-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130812;MM130812;CNNC(=O)N(N)C=CF;AAYYYYIZXHRSQT-UHFFFAOYSA-N;148.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130813;MM130813;CC(C)(C=O)CC(N)=O;XUDHAOYNJYMPGQ-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130814;MM130814;C=CC(C)(C)CC(=O)O;FYYOTZLMLLTWAP-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130815;MM130815;N#Cc1nc(N)c(O)o1;RXFNYRDMDSUOEV-UHFFFAOYSA-N;125.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130816;MM130816;CC(C)(C#N)CC(=O)O;FXIFRFRKBIJVGN-UHFFFAOYSA-N;127.14;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130817;MM130817;C=CC(C)(C)CC(=C)F;SIBFKUJKBOSFKB-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130818;MM130818;C=C(F)CC(C)(C)C=O;DRJRMYBJDDLLAR-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130819;MM130819;C=C(F)CC(C)(C)C#N;WWVQHZUSHSDZFI-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130820;MM130820;C=CC(C)(N)CC(=C)C;ZHXPSINXFBOIGH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130821;MM130821;C=CC(C)(N)CC(=C)F;ZZHMBZZOAKLLSY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130822;MM130822;CNNC(=O)C(=N)N(C)O;KJVNXCUPMPDISO-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130823;MM130823;C=C(C)CC(C)(O)C#N;WHFWEDHMPFAOIN-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130824;MM130824;C=CC(C)(O)CC(C)=O;KPHGYJYPXDUVLU-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130825;MM130825;CC(O)(C=O)CC(=N)N;CYPYDWPYFAGGJK-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130826;MM130826;CC(O)(C#N)CC(=N)N;LYSQZHXWGWRCMN-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130827;MM130827;C=CC(C)(O)CC(N)=O;ZHJGFMWKHOERQE-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130828;MM130828;CC(O)(C=O)CC(N)=O;BRVIPHLERUDWJR-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130829;MM130829;CC(O)(C#N)CC(N)=O;IAALMXTZZSVOMX-UHFFFAOYSA-N;128.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130830;MM130830;Oc1occ(F)c1O;MSPPMUQSMQDVRU-UHFFFAOYSA-N;118.06;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130831;MM130831;Cn1ccc(=O)nc1O;XBCXJKGHPABGSD-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130832;MM130832;C=CC(C)(O)CC(=C)F;HWTKZDYKUAQKRV-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130833;MM130833;C=C(F)CC(C)(O)C#N;KPZBWVRBAZFNEQ-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130834;MM130834;C=CC(C)(F)CC(=C)C;XDHBKWRVOHQXOF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130835;MM130835;C=C(C)CC(C)(F)C=O;VSSIYHBCMYZBFK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130836;MM130836;C=C(C)CC(C)(F)C#N;ZKWGMEZEGNINGW-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130837;MM130837;C=CC(C)(F)CC(C)=O;MBKIBQOXOYKBCF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130838;MM130838;CC(=O)CC(C)(F)C#N;ACOJDDMXKNIKMM-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130839;MM130839;C=CC(C)(F)CC(N)=O;XIXUUBAXMIEQRX-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130840;MM130840;CC(F)(C#N)CC(N)=O;MESVEGCENIFGRG-UHFFFAOYSA-N;130.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130841;MM130841;C=CC(C)(F)CC(=O)O;XTOLHKDLLXZQIM-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130842;MM130842;ON=CC(CF)=C(F)F;MCZOWCARVPFPHJ-UHFFFAOYSA-N;139.08;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130843;MM130843;C=CC(C)(F)CC(=C)F;SEAJANGFMGZHTF-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130844;MM130844;C=C(F)CC(C)(F)C=O;AJMCMULRUZATQT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130845;MM130845;C=C(F)CC(C)(F)C#N;RBVZHMDSWHKZJI-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130846;MM130846;C=CC(F)(F)CC(=C)C;JTIMMWPIJWOEHZ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130847;MM130847;CC(=O)CC(F)(F)C#N;BMCRYBISJATQHM-UHFFFAOYSA-N;133.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130848;MM130848;C=CC(F)(F)CC(N)=O;HIFRDPLFUHJBCU-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130849;MM130849;NC(=O)CC(F)(F)C=O;FFVFOMCPZUBSGB-UHFFFAOYSA-N;137.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130850;MM130850;N#CC(F)(F)CC(=O)O;SSLWCOFGNFDINB-UHFFFAOYSA-N;135.07;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130851;MM130851;C=CC(C)(C)NC(C)=N;MSZKDKBIWWGULT-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130852;MM130852;C=CNC(=NN=C)NN=C;APLIYTNPKYSIIG-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130853;MM130853;CC(=O)NC(C)(C)C=O;VBXYZPLAFYXGAM-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130854;MM130854;C=CC(C)(C)NC(=N)N;MBVPEULITYMGQR-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130855;MM130855;CC(C)(C=O)NC(=N)N;AAHJWMJNZUIGEF-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130856;MM130856;CC(C)(C#N)NC(=N)N;KSQPICSQOLKSBR-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130857;MM130857;C=CC(C)(C)NC(N)=O;QPTMJTFVJWOCSP-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130858;MM130858;C=CC(C)(C)OC(=C)C;DRRADHUCGZMVCF-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130859;MM130859;C=C(C)OC(C)(C)C=O;FERPKDHFSUXZLR-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130860;MM130860;C=C(C)OC(C)(C)C#N;VVOQLWBXYNRDBJ-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130861;MM130861;C=CC(C)(C)OC(C)=O;ZJVWGOLNVKJRDF-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130862;MM130862;CC(=O)OC(C)(C)C=O;BYYPPVMBDPUHHR-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130863;MM130863;C=CC(C)(C)OC(=N)N;KYXFOPCHQDTEAF-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130864;MM130864;C=CC(C)(C)OC(N)=O;FGYUGLACBKJAEU-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130865;MM130865;CC(C)(C=O)OC(N)=O;BNHFYUMYORSIPJ-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130866;MM130866;C#CC(C)(C)CC(=C)C;LNMDEKMOCPHRRS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130867;MM130867;C#CC(C)(C)CC(C)=O;OZKPZDOHPMTMQK-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130868;MM130868;C#CC(C)(C)CC(=O)O;AWFYYVPNFSJVGU-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130869;MM130869;C#CC(C)(C)CC(=C)F;GAZQKHVMVYZILS-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130870;MM130870;C#CC(C)(N)CC(=C)C;LERXKAXVDBMLDP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130871;MM130871;C#CC(C)(N)CC(=N)N;JRJJOZYIZXTSIR-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130872;MM130872;C#CC(C)(N)CC(=C)F;HVAFENXPCKOHDS-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130873;MM130873;C#CC(C)(O)CC(=C)C;VZVUOXHCMAVCDM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130874;MM130874;C#CC(C)(O)CC(=N)N;YUNCUROWAAHKGF-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130875;MM130875;C#CC(C)(O)CC(N)=O;FXQDERPMWPGGKA-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130876;MM130876;Cn1ncc(=O)n(O)c1=N;ARMACUDXTSWYCP-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130877;MM130877;C#CC(C)(O)CC(=C)F;VJKBYLWDDXFWFG-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130878;MM130878;C#CC(C)(F)CC(=C)C;NRONNGHTFGANSS-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130879;MM130879;C#CC(C)(F)CC(C)=O;JVJVXLYZYQSEBM-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130880;MM130880;C#CC(C)(F)CC(=O)O;NXNOHABRGKABFE-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130881;MM130881;C#CC(C)(F)CC(=C)F;IWENXHKBRQTYNO-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130882;MM130882;C#CC(F)(F)CC(=C)C;OBPNJZGQFQVJJK-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130883;MM130883;C#CC(F)(F)CC(N)=O;MWHHXEBFCVHBFP-UHFFFAOYSA-N;133.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130884;MM130884;C#CC(F)(F)CC(=O)O;BYMUCQUAECMIIR-UHFFFAOYSA-N;134.08;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130885;MM130885;C#CC(C)(C)NC(C)=N;DLGUCCNKYKHGIO-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130886;MM130886;C#CC(C)(C)NC(=N)N;UJGUGVFYAKIRJH-UHFFFAOYSA-N;125.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130887;MM130887;C#CC(C)(C)NC(N)=O;DWSYINQJVVITME-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130888;MM130888;C#CC(C)(C)OC(=C)C;GTVVRURGUBDTHI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130889;MM130889;C#CC(C)(C)OC(C)=O;HBSFTVGBQDJTAW-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130890;MM130890;C#CC(C)(C)OC(=N)N;CYGYMAWXIBHDJE-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130891;MM130891;CCC(C)(C)C=C(C)C;WPYKNDOCNBOBHN-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130892;MM130892;CC(C)=CC(C)(C)CN;OZQAMAFLHLYVRY-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130893;MM130893;CN1CC1CC(=O)NC=N;AJIJVZKPEAYONN-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130894;MM130894;CC(C)=CC(C)(C)CF;YXWBEWYGBWFACQ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130895;MM130895;CCC(C)(C)C=C(C)F;GKRWWQSMFCZSSM-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130896;MM130896;CC(F)=CC(C)(C)CN;FSBLPRSBZPKXRG-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130897;MM130897;CC(F)=CC(C)(C)CO;CAOBEQPTXDPVFS-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130898;MM130898;CC(F)=CC(C)(C)CF;WVWTWTCCHCRLIR-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130899;MM130899;CCC(C)(C)C=C(F)F;PPKSXLLVDDXHJQ-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130900;MM130900;CC(C)(C=C(F)F)CN;ZOAWLEADQSVXFA-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130901;MM130901;CC(C)(C=C(F)F)CF;SVYCXAGWJXBXML-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130902;MM130902;CCC(C)(N)C=C(C)C;YTMQQKFBRITGHW-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130903;MM130903;CC(C)=CC(C)(N)CF;NUEVETBJRUMQQS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130904;MM130904;CCC(C)(N)C=C(C)F;GSESIPDUYKNBQV-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130905;MM130905;CC(F)=CC(C)(N)CN;PJPMSLZECXJHRO-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130906;MM130906;CC(F)=CC(C)(N)CF;DBHCNSBDDXXACW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130907;MM130907;CCC(C)(N)C=C(F)F;SOKRTQJXKXDHAS-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130908;MM130908;CC(N)(C=C(F)F)CF;VWCANROOQLNBBN-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130909;MM130909;N#CC1CC(O)(C#N)CN1;DOBAHFZKQOPUHF-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130910;MM130910;CCC(C)(O)C=C(C)F;PWQJHWDKQZHSSU-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130911;MM130911;CC(F)=CC(C)(O)CN;FKZZIMWTZZFLSK-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130912;MM130912;CCC(C)(O)C=C(F)F;DWLTYACHCALFHK-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130913;MM130913;CC(O)(C=C(F)F)CO;ZTJMBJMITYPRLP-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130914;MM130914;CC(O)(C=C(F)F)CF;XDKAONNJMMCHSZ-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130915;MM130915;CCC(C)(F)C=C(C)C;PKADFSBWNFDNLU-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130916;MM130916;CC(C)=CC(C)(F)CN;HUSXTQIHZCATHB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130917;MM130917;CC(C)=CC(C)(F)CF;PWGPGYUMKHLDJS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130918;MM130918;CCC(C)(F)C=C(C)F;WVXBZYSYOVIISB-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130919;MM130919;CC(F)=CC(C)(F)CN;BQJZPRAMYWPLTM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130920;MM130920;CC(F)=CC(C)(F)CO;ROXKCOMOYJYLGA-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130921;MM130921;CCC(C)(F)C=C(F)F;OAAMXECFUUYIRD-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130922;MM130922;CC(F)(C=C(F)F)CN;YYOKRIVLYRNFMF-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130923;MM130923;CC(F)(C=C(F)F)CO;OXCVPUQDZIXHJF-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130924;MM130924;CCC(F)(F)C=C(C)C;HIHUUDJFCXVENA-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130925;MM130925;CC(C)=CC(F)(F)CF;NMKXALQNWXIBAZ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130926;MM130926;CC(F)=CC(F)(F)CO;JBZXKKFAZSLJPV-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130927;MM130927;CNC(C)(C)C=C(C)C;ZTNQELXNOPJYGX-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130928;MM130928;CNC(C)(C)C=C(C)F;MWDFAFGKOCFULC-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130929;MM130929;COC(C)(C)C=C(C)C;NUGOUMGFELRTMD-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130930;MM130930;COC(C)(C)C=C(C)F;NCEAIGWUHRBLRV-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130931;MM130931;COC(C)(C)C=C(F)F;AFUGARHSNMBVTB-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130932;MM130932;C=CC(C)(C)C=C(C)C;XIYUSFMHYQBGNB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130933;MM130933;CC(C)=CC(C)(C)C=O;QJJLGDXUAXOUBP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130934;MM130934;CC(C)=CC(C)(C)C#N;ITPGOZRQBMGLIT-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130935;MM130935;C=CC(C)(C)C=C(C)F;PISZFSOUVIYHQU-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130936;MM130936;CC(F)=CC(C)(C)C=O;TXSVGVXFAVZFDJ-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130937;MM130937;CC(F)=CC(C)(C)C#N;NFMCREULBJGKRE-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130938;MM130938;C=CC(C)(C)C=C(F)F;QKBYVYVOPVSRLR-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130939;MM130939;CC(C)(C=O)C=C(F)F;JULFRDNDZNYQDU-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130940;MM130940;CC(C)(C#N)C=C(F)F;ZLIAYZCUPFNSDQ-UHFFFAOYSA-N;131.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130941;MM130941;C=CC(C)(N)C=C(C)C;FYFUAJYTHSQAQC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130942;MM130942;C=CC(C)(N)C=C(C)F;BUGHTLBBCLEVOX-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130943;MM130943;C=CC(C)(N)C=C(F)F;YYUDDQLUOIOTHK-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130944;MM130944;C=CC(CC(C)C=C)=NO;ADCMFOVCOVAPJW-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130945;MM130945;CC(C)=CC(C)(O)C=O;AHOZXROBCFQVEQ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130946;MM130946;C=CC(C)(O)C=C(C)F;UNJIXVQRUPPDGM-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130947;MM130947;CC(F)=CC(C)(O)C=O;MMCCGKIRVXVHHE-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130948;MM130948;CC(F)=CC(C)(O)C#N;MFVWZKCWHJCGEF-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130949;MM130949;C=CC(C)(O)C=C(F)F;YVIWWWAYXKLSSK-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130950;MM130950;CC(O)(C#N)C=C(F)F;WOJIDROOLNFISW-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130951;MM130951;C=CC(C)(F)C=C(C)C;SPXVIPBQEZCOHI-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130952;MM130952;CC(C)=CC(C)(F)C=O;LNMOGHAIYDOEHY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130953;MM130953;CC(C)=CC(C)(F)C#N;YABPHDCLYJORFZ-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130954;MM130954;C=CC(C)(F)C=C(C)F;GCRFPKLCZZVWBQ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130955;MM130955;CC(F)=CC(C)(F)C=O;BDNUJIHKVUVPRP-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130956;MM130956;CC(F)=CC(C)(F)C#N;SAJSVWFRQJTYSQ-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130957;MM130957;C=CC(C)(F)C=C(F)F;IXTKLAVRXPPXOF-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130958;MM130958;CC(F)(C=O)C=C(F)F;AABXTTKFZSSUPK-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130959;MM130959;CC(F)(C#N)C=C(F)F;FPNUZIHXFGSHPE-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130960;MM130960;C=CC(F)(F)C=C(C)C;NCGTUWSVKYMQQE-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130961;MM130961;CC(C)=CC(F)(F)C#N;VUVARRDWPGRMCW-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130962;MM130962;C=CC(F)(F)C=C(C)F;CCTKBFNBBGWAPD-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130963;MM130963;C#CC(C)(C)C=C(C)C;VPBNRJZVBPRKFH-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130964;MM130964;C#CC(C)(C)C=C(C)F;XXBWRYLARKQWBA-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130965;MM130965;C#CC(C)(C)C=C(F)F;RIEKYFJKLFMUET-UHFFFAOYSA-N;130.14;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130966;MM130966;C#CC(C)(N)C=C(C)C;IFOLRJQMNXXSRB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130967;MM130967;C#CC(C)(N)C=C(C)F;JLPAWVZRTRCIOE-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130968;MM130968;C#CC(C)(N)C=C(F)F;BSLMGNOIHFAMLJ-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130969;MM130969;C#CC(C)(O)C=C(C)C;QIIWBHYEWYFYSM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130970;MM130970;C#CC(C)(O)C=C(C)F;KTJIJGMJTAHMNE-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130971;MM130971;C#CC(C)(O)C=C(F)F;DAEMPAXSMGSJNU-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130972;MM130972;C#CC(C)(F)C=C(C)C;BWVILJSDOYTAID-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130973;MM130973;C#CC(C)(F)C=C(C)F;DNDYYCBFRWQNTI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130974;MM130974;C#CC(C)(F)C=C(F)F;LIQCPEBBISLGTD-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130975;MM130975;C#CC(F)(F)C=C(C)C;HZZHGFCMPFQFIA-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130976;MM130976;C#CC(F)(F)C=C(C)F;IOLOMNYGBNRXCD-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130977;MM130977;CCC(C)=CC(CC)=NO;LVQKNJRHMCNVKT-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130978;MM130978;CC(C)(N)C(C)(C)CN;YAOBMJQDUOPHEV-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130979;MM130979;CC(C)(N)C(C)(C)CF;VOAWWNZFRIHPFE-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130980;MM130980;CC(C)(O)C(C)(C)CN;MEZQIRJSYAXKAY-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130981;MM130981;CC(C)(O)C(C)(C)CF;YYIAJVNOSSPMGY-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130982;MM130982;CC(C)(F)C(C)(C)CN;PQKJUHDEONLFEV-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130983;MM130983;CC(F)(F)C(C)(C)CN;CDYAGLOHXAWXOK-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130984;MM130984;CC(F)(F)C(C)(C)CF;RMAKJSYNIHVEGA-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130985;MM130985;CC(C)(CN)C(F)(F)F;NUJZHUHMBSJHCY-UHFFFAOYSA-N;141.14;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130986;MM130986;CC(C)(CF)C(F)(F)F;NEVPTUKFVBOJDD-UHFFFAOYSA-N;144.11;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130987;MM130987;CC(C)(C)C(C)(N)CN;PDKAREXEIBOEDV-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130988;MM130988;CCC(C)(N)C(C)(C)N;TZGKDELLIKEUGH-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130989;MM130989;CC(C)(F)C(C)(N)CN;WOGJHPWPHIJKTB-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130990;MM130990;CC(C)(C)C(C)(O)CO;JOEVSHWHIUYQJN-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130991;MM130991;CCC(C)(O)C(C)(C)O;HNIDTKCNPXBSLD-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130992;MM130992;CC(C)(C)C(C)(F)CN;RUVGDUSHXTZCTC-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130993;MM130993;CCC(C)(F)C(C)(C)N;FFWIKTALONDPNW-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130994;MM130994;CC(C)(N)C(C)(F)CN;QQUQRMQZSYRXQI-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130995;MM130995;CC(C)(N)C(C)(F)CF;XUCQFTSCPIGOHB-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130996;MM130996;CCC(C)(F)C(C)(C)O;AIOKCISLZKBCNA-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130997;MM130997;CC(C)(O)C(C)(F)CO;BSJUKLBYQBDLQJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130998;MM130998;CC(C)(O)C(C)(F)CF;VLPJWYSAKLPKJF-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM130999;MM130999;CC(C)(F)C(C)(F)CN;MKCFTOGKFNBHRQ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131000;MM131000;CC(F)(F)C(C)(F)CN;AUQLIKBXGSHQTH-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131001;MM131001;CC(F)(CN)C(F)(F)F;ATZFOMDCYIHQOY-UHFFFAOYSA-N;145.1;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131002;MM131002;CCC(F)(F)C(C)(C)O;KXNGXENPGNPURS-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131003;MM131003;CC(C)(O)C(F)(F)CF;VGDAMHSACDWQLW-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131004;MM131004;CC(C)(F)C(F)(F)CO;PIYLRRLYXVFZNN-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131005;MM131005;CNC(C)(C)C(C)(C)C;SBNNYCBGSSSIAM-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131006;MM131006;CNC(C)(C)C(C)(C)N;AIYMDBSCRDXQPS-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131007;MM131007;CNC(C)(C)C(C)(C)O;OVQUYKYRAZNDGH-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131008;MM131008;CNC(C)(C)C(C)(C)F;IKTBWGCNGSEEMX-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131009;MM131009;CNC(C)(C)C(F)(F)F;OECKNVAHIJTQFY-UHFFFAOYSA-N;141.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131010;MM131010;COC(C)(C)C(C)(C)C;FTACTAWTKDTQSA-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131011;MM131011;COC(C)(C)C(C)(C)N;KYJBFMJHEMUTNG-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131012;MM131012;COC(C)(C)C(C)(C)O;YRLVFWDTEUVAHM-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131013;MM131013;COC(C)(C)C(C)(C)F;UMVRNZGIBRZRHX-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131014;MM131014;COC(C)(C)C(C)(F)F;WALWIDKGNCXFRN-UHFFFAOYSA-N;138.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131015;MM131015;COC(C)(C)C(F)(F)F;LWBJNEUGPDWTQA-UHFFFAOYSA-N;142.12;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131016;MM131016;C=CC(C)(C)C(C)(C)C;KEADFSZITDPXOY-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131017;MM131017;CC(C)(C)C(C)(C)C=O;OKSBWDKKULDLPF-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131018;MM131018;CC(C)(C)C(C)(C)C#N;MOSJNBGPCBBNCG-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131019;MM131019;C=CC(C)(C)C(C)(C)N;LKOHHOXKYDFBKT-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131020;MM131020;C=CC(C=C(C)CO)=NO;HULHQLQQYRQACG-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131021;MM131021;CC(C)(O)C(C)(C)C=O;GAWQSILUCRTIOO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131022;MM131022;CC(C)(O)C(C)(C)C#N;UFCVKFGXHOXXGE-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131023;MM131023;C=CC(C)(C)C(C)(C)F;BZJUXEBREOQZCT-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131024;MM131024;CC(C)(F)C(C)(C)C=O;ICZMMNMCPXWAIS-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131025;MM131025;CC(C)(F)C(C)(C)C#N;GGCPUICGGGTXOR-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131026;MM131026;C=CC(C)(C)C(C)(F)F;UHMBZZDTHJKYAI-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131027;MM131027;CC(F)(F)C(C)(C)C=O;WLEYNVJCQFQACH-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131028;MM131028;CC(F)(F)C(C)(C)C#N;RAMMLEOXAYCNRH-UHFFFAOYSA-N;133.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131029;MM131029;C=CC(C)(C)C(F)(F)F;NIZQKAWIWWAJIP-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131030;MM131030;CC(C)(C=O)C(F)(F)F;WJJZHSXJQPNZOY-UHFFFAOYSA-N;140.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131031;MM131031;CC(C)(C#N)C(F)(F)F;ZBHNUTIHLMUHEB-UHFFFAOYSA-N;137.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131032;MM131032;CC(C)(O)C(C)(O)C=O;FDDHVULPNAPDKM-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131033;MM131033;CC(C)(F)C(C)(O)C#N;DQSAIGFTGBWQQQ-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131034;MM131034;CC(O)(C=O)C(F)(F)F;LSNASLNKABPJLR-UHFFFAOYSA-N;142.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131035;MM131035;CC(O)(C#N)C(F)(F)F;XDCMNDCKYSQKAX-UHFFFAOYSA-N;139.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131036;MM131036;C=CC(C)(F)C(C)(C)O;YZBJXBKBAAYTRN-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131037;MM131037;CC(F)(F)C(F)(F)C#N;NSLRPBCJIIPCMI-UHFFFAOYSA-N;141.07;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131038;MM131038;O=CC(F)(F)C(F)(F)F;IRPGOXJVTQTAAN-UHFFFAOYSA-N;148.03;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131039;MM131039;N#CC(F)(F)C(F)(F)F;MTLOQUGSPBVZEO-UHFFFAOYSA-N;145.03;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131040;MM131040;C#CC(C)(C)C(C)(C)C;GNWNUIBYXMPLQB-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131041;MM131041;C#CC(C)(C)C(C)(C)N;VSZUVDNEFRLZOF-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131042;MM131042;C=NN1CC1C(C)(O)C#N;ACXMTTWRACNWJH-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131043;MM131043;C#CC(C)(C)C(C)(C)F;PNZGJKIUDPHLAQ-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131044;MM131044;C#CC(C)(C)C(C)(F)F;KMRGYLUFYIDTNW-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131045;MM131045;C#CC(C)(C)C(F)(F)F;VRUKBZLINUWGOP-UHFFFAOYSA-N;136.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131046;MM131046;C#CC(C)(N)C(C)(C)C;AQYJWMWERXBFQH-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131047;MM131047;C#CC(C)(N)C(C)(C)N;CEJLFEZASKYGTA-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131048;MM131048;C#CC(C)(N)C(F)(F)F;SANSVBGHFSQAPO-UHFFFAOYSA-N;137.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131049;MM131049;C#CC(C)(O)C(C)(C)N;FPYXTCWFJFVANL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131050;MM131050;C#CC(C)(O)C(C)(C)F;VFOMVWRXKZZYFV-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131051;MM131051;C#CC(C)(O)C(C)(F)F;YUMFDYXOVVYZLZ-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131052;MM131052;C#CC(C)(O)C(F)(F)F;UTBLHEIETFFHJJ-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131053;MM131053;CC1C(C)(C)CC1(C)C;DCHVYZZGVBRZNK-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131054;MM131054;CC1C(C)(C)CC1(C)N;AILXVTNMDGLPDX-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131055;MM131055;NNC(=O)NC=NOC=O;VBZWTBYONMOAOZ-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131056;MM131056;CC1C(C)(C)CC1(C)F;FWBCAZYBOBTKNX-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131057;MM131057;CC1C(C)(N)CC1(C)N;VOKVVWGFHQMZQH-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131058;MM131058;CC1C(C)(N)CC1(C)F;CTWALAIZGZRWEI-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131059;MM131059;CC1C(C)(C)NC1(C)C;AJOXFXUEWIYTLD-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131060;MM131060;CC1C(C)(C)OC1(C)C;YEFQOMQMUIBURW-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131061;MM131061;CC(C)(C)C1CC1(C)C;LDKNGQQKDVBBQK-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131062;MM131062;CC(C)(N)C1CC1(C)C;MWDQCGHPYIDRLT-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131063;MM131063;CN(C)C(C=O)C(O)C#N;RYWLJDKHMVEVCA-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131064;MM131064;CC(C)(F)C1CC1(C)C;AAIANBGIRPAFDG-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131065;MM131065;CC(F)(F)C1CC1(C)C;CJQMUNKCFGIXOH-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131066;MM131066;CC1(C)CC1C(F)(F)F;LLJZQDTZKRXIMF-UHFFFAOYSA-N;138.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131067;MM131067;CC(C)(C)C1CC1(C)N;YSUAZOLDPYCXQB-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131068;MM131068;CC(C)(N)C1CC1(C)N;QBWXFNROZKBODO-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131069;MM131069;CC(C)(O)C1CC1(C)N;WZVIFARZPRROOY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131070;MM131070;CC(C)(F)C1CC1(C)N;UEWGGIGOXWYXHW-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131071;MM131071;CC(F)(F)C1CC1(C)N;IXOOOLLOSNSVEA-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131072;MM131072;CC1(N)CC1C(F)(F)F;XTUNEDRRBFLRLU-UHFFFAOYSA-N;139.12;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131073;MM131073;C=CCOC(=NO)N(C)C;GYVRECVCFYIOPN-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131074;MM131074;CC(C)(N)C1CC1(C)O;KFJOXICHTLXMSY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131075;MM131075;CC(C)(O)C1CC1(C)O;QENATSHJHXUVJF-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131076;MM131076;CC(C)(F)C1CC1(C)O;ULRASYGFONWTBL-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131077;MM131077;CC(F)(F)C1CC1(C)O;DOIZTCWROFQXTM-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131078;MM131078;CC1(O)CC1C(F)(F)F;XVNXZFPZIGSDRR-UHFFFAOYSA-N;140.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131079;MM131079;CC(C)(C)C1CC1(C)F;GGKWWQLVTGXONJ-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131080;MM131080;CC(C)(N)C1CC1(C)F;PLSYVRCGHNBQQD-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131081;MM131081;CC(C)(O)C1CC1(C)F;JJCVKUDSRAXWOX-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131082;MM131082;CC(C)(F)C1CC1(C)F;SFLKIGYCEJKPAM-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131083;MM131083;CC(F)(F)C1CC1(C)F;PBVMNYZAUCQXRN-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131084;MM131084;CC(C)(C)C1CC1(F)F;WUJRYRKLQTZVNR-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131085;MM131085;CC(C)(N)C1CC1(F)F;DQYWSUFPPNKVLV-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131086;MM131086;CC(C)(O)C1CC1(F)F;FVAHKAULJDXWLY-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131087;MM131087;CC(C)(F)C1CC1(F)F;OYOJVYNQBDOSQD-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131088;MM131088;CC(F)(F)C1CC1(F)F;BVJIYIYSSSIVJD-UHFFFAOYSA-N;142.1;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131089;MM131089;CC(C)(N)C1NC1(C)C;PFSCUBQJIZUJMU-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131090;MM131090;CC(C)(F)C1NC1(C)C;OFAKHHCJIXXOMW-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131091;MM131091;CC(F)(F)C1NC1(C)C;RZCYEYDKNUOMSO-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131092;MM131092;CC1(C)NC1C(F)(F)F;QSKRDCYEEHDIDA-UHFFFAOYSA-N;139.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131093;MM131093;CC(C)(C)C1OC1(C)C;OUYYZNFRPHQCIM-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131094;MM131094;CC(C)(N)C1OC1(C)C;UHANSVSHEBXRPX-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131095;MM131095;CC(C)(O)C1OC1(C)C;WGCFOFRTAREJNT-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131096;MM131096;CC(C)(F)C1OC1(C)C;YHYXFSGBUOPQBF-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131097;MM131097;CC(F)(F)C1OC1(C)C;QRNJTDBYQRJDCE-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131098;MM131098;CC1(C)OC1C(F)(F)F;AYFMTUIXHUOITL-UHFFFAOYSA-N;140.1;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131099;MM131099;CC1(C)CCC(C)(C)C1;YWYCGTZNHWYQBD-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131100;MM131100;CC1(C)CCC(C)(N)C1;OBUFTOLSBKKSBL-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131101;MM131101;C=CC(C=CC=NO)CC;HKBXVCQMENWRHA-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131102;MM131102;CC1(C)CCC(C)(F)C1;LDONGWYQAJUJDA-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131103;MM131103;CC1(C)CCC(F)(F)C1;ZXEOLQNIGQRRTD-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131104;MM131104;CC1(N)CCC(C)(N)C1;JZWFNZZRODUPCD-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131105;MM131105;CC1(N)CCC(C)(O)C1;FHJQBERBUKRWAJ-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131106;MM131106;CC1(N)CCC(C)(F)C1;WCFNBVNQAOAGRA-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131107;MM131107;CC1(N)CCC(F)(F)C1;KDRXWGKMPVQOAB-UHFFFAOYSA-N;135.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131108;MM131108;CC1(O)CCC(C)(O)C1;YNMGNVQVFLZJEY-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131109;MM131109;CC1(O)CCC(C)(F)C1;HLNUGMLYEFHENB-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131110;MM131110;CC1(O)CCC(F)(F)C1;ZSCBIIFXPVQVDS-UHFFFAOYSA-N;136.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131111;MM131111;CC1(F)CCC(C)(F)C1;XXYNUXUYDKZONS-UHFFFAOYSA-N;134.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131112;MM131112;CC1(F)CCC(F)(F)C1;DMEAIUPPKASWKD-UHFFFAOYSA-N;138.13;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131113;MM131113;FC1(F)CCC(F)(F)C1;UDCSZVFJQMFJOC-UHFFFAOYSA-N;142.1;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131114;MM131114;CC1(C)CNC(C)(C)C1;FZIVTGCLMQWUJT-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131115;MM131115;CC1(N)CNC(C)(C)C1;FGMQEKAPIABLFX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131116;MM131116;CC1(O)CNC(C)(C)C1;MEMVWRBYCBNIOL-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131117;MM131117;CC1(F)CNC(C)(C)C1;DDMSSOWJUMQEES-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131118;MM131118;CC1(C)COC(C)(C)C1;FIDGQQIVMWAIAD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131119;MM131119;CC1(N)COC(C)(C)C1;OVVKEFISDZESPS-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131120;MM131120;CC1(O)COC(C)(C)C1;BPCRULCBIBVMEU-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131121;MM131121;CC1(F)COC(C)(C)C1;WRVRROMGNXNGIS-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131122;MM131122;CC1(C)CC(F)(F)CO1;IDAMGJHSFIUVTL-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131123;MM131123;CC1(C)CCC(C)(C)N1;FMRWQLAJBBKXDM-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131124;MM131124;CC1(C)CCC(C)(C)O1;BBLDTXFLAHKYFJ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131125;MM131125;CC1(C)COC(C)(C)O1;LKXGAIPPBQYEJB-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131126;MM131126;CC1(C)C=CC(C)(C)C1;FCJMCOVEXBZEMH-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131127;MM131127;CC1(C)C=CC(C)(N)C1;KMXSBHBHDNPIQY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131128;MM131128;O=CC=NN=C(NO)NO;NLAZSJKLYDSNFP-UHFFFAOYSA-N;146.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131129;MM131129;CC1(C)C=CC(C)(F)C1;XKGJVZRQNWIQJN-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131130;MM131130;CC1(C)C=CC(F)(F)C1;VDLHDRIUSTXFEG-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131131;MM131131;CC1(N)C=CC(C)(N)C1;ZRXKFJXZAOQFPK-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131132;MM131132;CC1(N)C=CC(C)(O)C1;RQZGUUQSBUXDNQ-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131133;MM131133;CC1(N)C=CC(C)(F)C1;RBDVQZMXWUCYBK-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131134;MM131134;CC1(N)C=CC(F)(F)C1;CPRPMSYLOKWFIK-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131135;MM131135;CC1(O)C=CC(C)(O)C1;CUFJHIGAEADKAH-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131136;MM131136;CC1(O)C=CC(C)(F)C1;IIVAEIUTONQJCS-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131137;MM131137;CC1(O)C=CC(F)(F)C1;OBVAKDKMPFJWFE-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131138;MM131138;CC1(F)C=CC(C)(F)C1;JJMFAFQITFMTDQ-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131139;MM131139;CC1(F)C=CC(F)(F)C1;AGILBLFTLTXUSA-UHFFFAOYSA-N;136.12;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131140;MM131140;FC1(F)C=CC(F)(F)C1;JWEJVQCFQOBGGY-UHFFFAOYSA-N;140.08;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131141;MM131141;CC1(C)C=CC(C)(C)N1;YOWKOPKYRBOWMO-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131142;MM131142;CC1(C)C=CC(C)(C)O1;DYDDAUBFAGIJAJ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131143;MM131143;CCC1(C)CC(C)(C)C1;XLZSBPMMHZPKIT-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131144;MM131144;CC1(C)CC(C)(CN)C1;IHCOUJACXWEJLE-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131145;MM131145;CC#CC(C#N)CN1CC1;DVTIOEQCCJAXON-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131146;MM131146;CC1(C)CC(C)(CF)C1;ZPPBSIGJIXTJMG-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131147;MM131147;CCC1(C)CC(C)(N)C1;GSIPYIIDEBITGV-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131148;MM131148;CC1(N)CC(C)(CN)C1;JACUMYRKBQUSSJ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131149;MM131149;CC1(N)CC(C)(CO)C1;WAQGTZVVVKUVKC-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131150;MM131150;CCC1=CC(=NO)CC1C;UJVMWQALWHHGQW-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131151;MM131151;CC1(O)CC(C)(CN)C1;JSCBHSOKGHKTLF-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131152;MM131152;CC1(O)CC(C)(CO)C1;IZRLXVPAONMGOU-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131153;MM131153;CC1(O)CC(C)(CF)C1;MMYHHMOYBDONJL-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131154;MM131154;CCC1(C)CC(C)(F)C1;QQKYWQDVHHQIPD-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131155;MM131155;CC1(F)CC(C)(CN)C1;GJOUSJNEHXRFBF-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131156;MM131156;CC1(F)CC(C)(CO)C1;DAVRODXRTSVZKT-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131157;MM131157;CCC1(C)CC(F)(F)C1;BLDBOYLKOMAGCT-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131158;MM131158;CC1(CN)CC(F)(F)C1;XYASTYBRCNJHIM-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131159;MM131159;CC1(CO)CC(F)(F)C1;CJAWZBDZCFSXMU-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131160;MM131160;CC1(CF)CC(F)(F)C1;NBOJEILNOFUOIV-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131161;MM131161;CCC1(N)CC(C)(C)C1;PTTPOVNWUFNMGZ-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131162;MM131162;CC1(C)CC(N)(CN)C1;CCLCIOSRSMKGAO-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131163;MM131163;CC1(C)CC(N)(CO)C1;FKSPKNQUOPKJSI-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131164;MM131164;CC1(C)CC(N)(CF)C1;UWFDMGAGOGVNSG-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131165;MM131165;CCC1(N)CC(C)(N)C1;QKNXHIPSUWGQFU-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131166;MM131166;CC1(N)CC(N)(CN)C1;QSLFESOIYRKNMZ-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131167;MM131167;CC1(N)CC(N)(CO)C1;DHLSNJYJSCALLG-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131168;MM131168;CC1(N)CC(N)(CF)C1;ACRZPPBHZJXQRD-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131169;MM131169;CCC1(N)CC(C)(O)C1;GKBUYSDTNPZRDR-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131170;MM131170;CC1(O)CC(N)(CN)C1;AHYQVKXLTLSCCN-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131171;MM131171;CC1(O)CC(N)(CO)C1;VGZXKOMKXKOTMF-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131172;MM131172;CC1(O)CC(N)(CF)C1;KXGOPXIDFOCLBW-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131173;MM131173;CCC1(N)CC(C)(F)C1;HDWLTHBKVNLZSB-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131174;MM131174;CC1(F)CC(N)(CN)C1;MFMCZJLFGVUDNO-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131175;MM131175;CC1(F)CC(N)(CO)C1;JNONPAAWKAFWIJ-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131176;MM131176;CC1(F)CC(N)(CF)C1;KIBBRNHDFBIHNT-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131177;MM131177;CCC1(N)CC(F)(F)C1;XRUQDICMLHPYAB-UHFFFAOYSA-N;135.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131178;MM131178;NCC1(N)CC(F)(F)C1;NGGUCXHGVACZAZ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131179;MM131179;NC1(CO)CC(F)(F)C1;IPTIROQWVYCEFV-UHFFFAOYSA-N;137.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131180;MM131180;NC1(CF)CC(F)(F)C1;QDTNOYOZWRUAMN-UHFFFAOYSA-N;139.12;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131181;MM131181;C=C1C(CC)=CCC1=NO;PMLDDLGKGGYNET-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131182;MM131182;CC1(C)CC(O)(CN)C1;GZXWSVZQLDUJCE-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131183;MM131183;CC1(C)CC(O)(CO)C1;SEFAXNIRMSPUJP-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131184;MM131184;CC1(C)CC(O)(CF)C1;CIOOMXDHJWIHPI-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131185;MM131185;CCC1(O)CC(C)(N)C1;RKQBUQQGMVIFFK-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131186;MM131186;CC1(N)CC(O)(CN)C1;XFSNQKMQQDQACC-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131187;MM131187;CC1(N)CC(O)(CO)C1;KLWDLEDRNAPGBR-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131188;MM131188;CC1(N)CC(O)(CF)C1;ZAWXEJMBNLIASO-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131189;MM131189;CCC1(O)CC(C)(O)C1;MKCOIRPKKPXFMS-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131190;MM131190;CC1(O)CC(O)(CN)C1;DBZAVCGMDJGPBG-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131191;MM131191;CC1(O)CC(O)(CO)C1;SZBDLSGEAWBHMC-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131192;MM131192;CC1(O)CC(O)(CF)C1;NQAWVYAVWOBVEO-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131193;MM131193;CCC1(O)CC(C)(F)C1;HVOOCQNPPVKELZ-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131194;MM131194;CC1(F)CC(O)(CN)C1;PQHQQIRSJGZOBD-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131195;MM131195;CC1(F)CC(O)(CO)C1;CTKXKWLYXYEVAQ-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131196;MM131196;CC1(F)CC(O)(CF)C1;BVEHKPHJPPLYQC-UHFFFAOYSA-N;136.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131197;MM131197;CCC1(O)CC(F)(F)C1;TZYFOBUGSGLQJD-UHFFFAOYSA-N;136.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131198;MM131198;NCC1(O)CC(F)(F)C1;UQUAYYRNBWNXNX-UHFFFAOYSA-N;137.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131199;MM131199;OCC1(O)CC(F)(F)C1;MJOGZEVMVINLHS-UHFFFAOYSA-N;138.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131200;MM131200;CCC1(F)CC(C)(C)C1;MATIRDQQDUJMCE-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131201;MM131201;CC1(C)CC(F)(CN)C1;WXKMJRLGQLQJJA-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131202;MM131202;CC1(C)CC(F)(CO)C1;SQHQWLUVNVYKAX-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131203;MM131203;CC1(C)CC(F)(CF)C1;QANKVQHHQDMGHS-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131204;MM131204;CCC1(F)CC(C)(N)C1;RGGGDXGDZUVROQ-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131205;MM131205;CC1(N)CC(F)(CN)C1;VDJLRSGRZQWBJQ-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131206;MM131206;CC1(N)CC(F)(CO)C1;JWBGJKBWQDFVGG-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131207;MM131207;CC1(N)CC(F)(CF)C1;MOJRWEOZGMELMS-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131208;MM131208;CCC1(F)CC(C)(O)C1;DTIQSWMWVDCKET-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131209;MM131209;CC1(O)CC(F)(CN)C1;GKNWHWPQGZPNDM-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131210;MM131210;CC1(O)CC(F)(CO)C1;CXAYWUXUJAJYFP-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131211;MM131211;CC1(O)CC(F)(CF)C1;ASBJFZFWAJIGPC-UHFFFAOYSA-N;136.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131212;MM131212;CCC1(F)CC(C)(F)C1;ZZBCDAVAHHWYJK-UHFFFAOYSA-N;134.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131213;MM131213;CC1(F)CC(F)(CN)C1;JBFIKSSURNFDFA-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131214;MM131214;CCC1(F)CC(F)(F)C1;SSWVEHIDLISEMO-UHFFFAOYSA-N;138.13;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131215;MM131215;OCC1(F)CC(F)(F)C1;FEQRHBJSTGBVRM-UHFFFAOYSA-N;140.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131216;MM131216;CNC1(C)CC(C)(C)C1;FISHVVSXBOQKPH-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131217;MM131217;CNC1(C)CC(C)(N)C1;KBXLGMVERZXGSO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131218;MM131218;CNC1(C)CC(C)(O)C1;HIXWSRSZLDSCNM-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131219;MM131219;CNC1(C)CC(C)(F)C1;DHQVITKDZUUAIE-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131220;MM131220;CNC1(C)CC(F)(F)C1;YAZLUCQOIWNKLV-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131221;MM131221;COC1(C)CC(C)(C)C1;BODSKWNIRPFHES-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131222;MM131222;COC1(C)CC(C)(N)C1;MHSLGPREQCCOGA-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131223;MM131223;COC1(C)CC(C)(O)C1;HZIGXMGKANRHOR-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131224;MM131224;COC1(C)CC(C)(F)C1;RKJIAGSIYYPCBB-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131225;MM131225;COC1(C)CC(F)(F)C1;RNXDNLXTKDYCIK-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131226;MM131226;CCC1(C)CC(C)(C)N1;HKVWRPAUUFEYBL-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131227;MM131227;CC1(C)CC(C)(CN)N1;YNCVYZUQUWXZPM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131228;MM131228;CC1(C)CC(C)(CO)N1;XITBEKWLNULFCG-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131229;MM131229;CC1(C)CC(C)(CF)N1;KYRIIBLLONBPJB-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131230;MM131230;CCC1(C)CC(C)(C)O1;XXNFRULLRLDLKQ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131231;MM131231;CC1(C)CC(C)(CN)O1;ZXXQTXURXLDHQL-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131232;MM131232;CC1(C)CC(C)(CO)O1;FTOMGMBQGBXTRN-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131233;MM131233;CC1(C)CC(C)(CF)O1;VBVMFXTXJGPTLV-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131234;MM131234;C=CC1(C)CC(C)(C)C1;USNABUDNBWZCNX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131235;MM131235;CC1(C)CC(C)(C=O)C1;YFODHJMWYQDSQI-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131236;MM131236;CC1(C)CC(C)(C#N)C1;UVJGNXYEJBGTLM-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131237;MM131237;C=CC1(C)CC(C)(N)C1;TVTAQDUNUVETTA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131238;MM131238;N=C1CC(F)=CN1O;MUGDLIOTIHQXEY-UHFFFAOYSA-N;116.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131239;MM131239;CC1(O)CC(C)(C=O)C1;SCSKGVZBSUQZBD-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131240;MM131240;CC1(O)CC(C)(C#N)C1;BJUKDYBNZMPMLR-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131241;MM131241;C=CC1(C)CC(C)(F)C1;GWIVPWPDAALFEP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131242;MM131242;CC1(F)CC(C)(C=O)C1;MPYWOJORDFRVHQ-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131243;MM131243;CC1(F)CC(C)(C#N)C1;DEBLHHSNOUXXRZ-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131244;MM131244;C=CC1(C)CC(F)(F)C1;NMYQEOYNXQDVTI-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131245;MM131245;CC1(C=O)CC(F)(F)C1;ZSJAEAFPPGHODU-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131246;MM131246;CC1(C#N)CC(F)(F)C1;LWXRSDZKQMSNIF-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131247;MM131247;C=CC1(N)CC(C)(C)C1;KADNJFRHGZZRTH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131248;MM131248;C=CC1(N)CC(C)(N)C1;WKUYVIXCJZYDES-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131249;MM131249;C=CC1(N)CC(C)(O)C1;PRMKIKNIXAALOD-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131250;MM131250;C=CC1(N)CC(C)(F)C1;GEIFIDNTKDXARM-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131251;MM131251;C=CC1(N)CC(F)(F)C1;ZGWMHQIDISTKSS-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131252;MM131252;N=CNC(=O)C=C(N)N;ADTBCVYILMBFEY-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131253;MM131253;CC1(C)CC(O)(C=O)C1;HAMIBUXOENUSRU-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131254;MM131254;CC1(C)CC(O)(C#N)C1;DYXDUSQBFDEISP-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131255;MM131255;C=CC1(O)CC(C)(N)C1;BMVKQJYOWDJCMR-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131256;MM131256;C=CC1(O)CC(C)(O)C1;OZFDUDBWPSKSFU-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131257;MM131257;CC1(O)CC(O)(C=O)C1;FGFCLFDLRQODIF-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131258;MM131258;CC1(O)CC(O)(C#N)C1;DOYCXJWWJOPAIW-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131259;MM131259;C=CC1(O)CC(C)(F)C1;XZWKXAFTSPXONY-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131260;MM131260;CC1(F)CC(O)(C=O)C1;HGPAXPPXFURXRO-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131261;MM131261;CC1(F)CC(O)(C#N)C1;GVAFCJWPVGQYBZ-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131262;MM131262;C=CC1(O)CC(F)(F)C1;KSMDJGWEBJTAII-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131263;MM131263;O=CC1(O)CC(F)(F)C1;MYQRZPYPTHJKFF-UHFFFAOYSA-N;136.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131264;MM131264;N#CC1(O)CC(F)(F)C1;NILWNMIRKWLSKU-UHFFFAOYSA-N;133.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131265;MM131265;C=CC1(F)CC(C)(C)C1;KHFDRAZDOXKDQU-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131266;MM131266;CC1(C)CC(F)(C=O)C1;LZCIJJVGVDVQBO-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131267;MM131267;CC1(C)CC(F)(C#N)C1;BBYRRCZINMIYCG-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131268;MM131268;C=CC1(F)CC(C)(N)C1;ZKIXNIIBUFTKEC-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131269;MM131269;C=CC1(F)CC(C)(O)C1;RSCQAEGTPBQPJK-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131270;MM131270;CC1(O)CC(F)(C=O)C1;ZRITXDABFCAISE-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131271;MM131271;CC1(O)CC(F)(C#N)C1;GZYFCMCKCHATRT-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131272;MM131272;C=CC1(F)CC(C)(F)C1;XJFXTHLUWKVGLW-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131273;MM131273;CC1(F)CC(F)(C=O)C1;HRWULYHAFSTPEZ-UHFFFAOYSA-N;134.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131274;MM131274;CC1(F)CC(F)(C#N)C1;ZGSOIAAJISFCQJ-UHFFFAOYSA-N;131.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131275;MM131275;C=CC1(F)CC(F)(F)C1;YXQDRHGYYAJSSD-UHFFFAOYSA-N;136.12;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131276;MM131276;O=CC1(F)CC(F)(F)C1;WZXMTSMLGFKLIO-UHFFFAOYSA-N;138.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131277;MM131277;N#CC1(F)CC(F)(F)C1;LFHWQACFAIXLDV-UHFFFAOYSA-N;135.09;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131278;MM131278;C=CC1(C)CC(C)(C)N1;QDFNCOWGJPCNOA-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131279;MM131279;CC1(C)CC(C)(C=O)N1;CDWTYQAUDATVPM-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131280;MM131280;CC1(C)CC(C)(C#N)N1;XAZZTOUNMYNWHM-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131281;MM131281;C=CC1(C)CC(C)(C)O1;KLDBZIKCQHXDDI-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131282;MM131282;CC1(C)CC(C)(C=O)O1;HYNZJFMSQRLLEP-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131283;MM131283;CC1(C)CC(C)(C#N)O1;IEWYARBSOOMYPK-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131284;MM131284;C#CC1(C)CC(C)(C)C1;YXNBRAWPRLCROP-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131285;MM131285;C#CC1(C)CC(C)(N)C1;PICLHTABXMOOOP-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131286;MM131286;C=C(C)C=CC(C)=NO;DQAOYKPQJRETJN-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131287;MM131287;C#CC1(C)CC(C)(F)C1;WCWIVHKVGBMYGP-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131288;MM131288;C#CC1(C)CC(F)(F)C1;AZZOLEKXXYODMM-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131289;MM131289;C#CC1(N)CC(C)(C)C1;QFAOQXPLRMBHDX-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131290;MM131290;C#CC1(N)CC(C)(N)C1;BWTQCDHCGGXYNY-UHFFFAOYSA-N;124.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131291;MM131291;C#CC1(N)CC(C)(O)C1;CPTKIMPPKJZBCR-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131292;MM131292;C#CC1(N)CC(C)(F)C1;INFDTPAJUBOJNB-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131293;MM131293;C#CC1(N)CC(F)(F)C1;YDJNOOYLWCBBTI-UHFFFAOYSA-N;131.13;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131294;MM131294;C#CC1(O)CC(C)(C)C1;DYBDGZIOZVPIHY-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131295;MM131295;C#CC1(O)CC(C)(N)C1;PHAWRJMFHRFPKF-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131296;MM131296;C#CC1(O)CC(C)(O)C1;LRCCHMBQJYOUAA-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131297;MM131297;C#CC1(O)CC(C)(F)C1;YJBKPCZDMYYZTM-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131298;MM131298;C#CC1(O)CC(F)(F)C1;HOPYVGCRQAXXEX-UHFFFAOYSA-N;132.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131299;MM131299;C#CC1(F)CC(C)(C)C1;OCVQDPKNDFAJMN-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131300;MM131300;C#CC1(F)CC(C)(N)C1;ORPXHLNWJRGZTM-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131301;MM131301;C#CC1(F)CC(C)(O)C1;DJEXAUVZVDZGDO-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131302;MM131302;C#CC1(F)CC(C)(F)C1;PYGHVWQCPMZCBW-UHFFFAOYSA-N;130.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131303;MM131303;C#CC1(F)CC(F)(F)C1;AMGMHVSMMMSPKM-UHFFFAOYSA-N;134.1;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131304;MM131304;C#CC1(C)CC(C)(C)N1;CQMBDKVYKAMXMR-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131305;MM131305;C#CC1(C)CC(C)(C)O1;QIYHGJPRDHHGSN-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131306;MM131306;CC(C)(C)CC1(C)CC1;FXWPNMZGEHKSPX-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131307;MM131307;CC(C)(N)CC1(C)CC1;QUEHFRNELGGLBH-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131308;MM131308;N=CNC(=O)CCC=O;XEPDZQYLANGCCY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131309;MM131309;CC(C)(F)CC1(C)CC1;YEIPKIXOVGRLQN-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131310;MM131310;CC(F)(F)CC1(C)CC1;BUBJLJCRBXFWTG-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131311;MM131311;CC1(CC(F)(F)F)CC1;CNPDHFXOXGFOLU-UHFFFAOYSA-N;138.13;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131312;MM131312;CC(C)(C)CC1(N)CC1;XTQGDVSTEZJTLK-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131313;MM131313;CC(C)(N)CC1(N)CC1;QWJMVWZFJAMVOQ-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131314;MM131314;CC(C)(O)CC1(N)CC1;AVEWIWJDGCJRPO-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131315;MM131315;CC(C)(F)CC1(N)CC1;FUYYJAHLHQSRNA-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131316;MM131316;CC(F)(F)CC1(N)CC1;XMPQINNCFXLNLZ-UHFFFAOYSA-N;135.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131317;MM131317;NC1(CC(F)(F)F)CC1;LAIOOOKWZHMCFM-UHFFFAOYSA-N;139.12;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131318;MM131318;CN=CNC(=O)C=CN;NHFOEBVMUBDYLR-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131319;MM131319;CC(C)(N)CC1(O)CC1;VXIUMNKIRDMJLC-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131320;MM131320;CC(C)(O)CC1(O)CC1;ZIINOVHTTCRTHE-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131321;MM131321;CC(C)(F)CC1(O)CC1;KZPIHFFLRLBPOP-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131322;MM131322;CC(F)(F)CC1(O)CC1;VHXRURNBKJWAGQ-UHFFFAOYSA-N;136.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131323;MM131323;OC1(CC(F)(F)F)CC1;KRVMZDAAXUIYJP-UHFFFAOYSA-N;140.1;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131324;MM131324;CC(C)(C)CC1(F)CC1;WNSDRPZVMGAQAR-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131325;MM131325;CC(C)(N)CC1(F)CC1;KMHGPJSTGZZRKZ-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131326;MM131326;CC(C)(O)CC1(F)CC1;VDLKMLWYDQUAFK-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131327;MM131327;CC(C)(F)CC1(F)CC1;QHLJMKPUMQXTNL-UHFFFAOYSA-N;134.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131328;MM131328;CC(F)(F)CC1(F)CC1;BCRQURRBDMWCSC-UHFFFAOYSA-N;138.13;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131329;MM131329;FC(F)(F)CC1(F)CC1;XZDAHKJCKWPFMI-UHFFFAOYSA-N;142.1;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131330;MM131330;CC(C)(C)NC1(C)CC1;QQCOUEHUUTWFNU-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131331;MM131331;CC(C)(C)OC1(C)CC1;FCOJQJXXRCZAGS-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131332;MM131332;CC(C)(N)CC1(C)CN1;XHVUVVCQYJNJPP-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131333;MM131333;CC(C)(C)CC1(C)CO1;WZHRVCOCPMCGEA-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131334;MM131334;CC(C)(N)CC1(C)CO1;ZDVLVYGGCHFCHQ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131335;MM131335;CC(C)(O)CC1(C)CO1;NVGCMTUOGLDJIH-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131336;MM131336;CC(C)(F)CC1(C)CO1;YUXINNGGELCYDK-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131337;MM131337;CC(F)(F)CC1(C)CO1;CKESTPGVLWHKJK-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131338;MM131338;CC1(CC(F)(F)F)CO1;YXAPBJCWVCBKBI-UHFFFAOYSA-N;140.1;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131339;MM131339;CC(C)(C)C(CO)CO;LQPVVSDKTCYYBZ-UHFFFAOYSA-N;132.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131340;MM131340;CCC(CN)C(C)(C)N;OOEVDMUPEQSMLO-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131341;MM131341;CCC(CO)C(C)(C)N;IJDAGTCZMZZMRJ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131342;MM131342;CCC(CF)C(C)(C)N;QNYQXGSHRPBJMB-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131343;MM131343;CC(C)(N)C(CN)CF;OLVHIELNLIOTMS-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131344;MM131344;CC(C)(N)C(CF)CF;JHGWZEZFKCXDCJ-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131345;MM131345;CCC(CN)C(C)(C)O;RSOHTWOYZUWDNZ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131346;MM131346;CCC(CF)C(C)(C)O;HUXWOULZZZWVKE-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131347;MM131347;CC(C)(O)C(CN)CF;GCGWSWNGLNMNOP-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131348;MM131348;CC(C)(O)C(CO)CO;BGBCQWFNKCSYKK-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131349;MM131349;CC(C)(O)C(CF)CF;UUXNQDVUJDAEMB-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131350;MM131350;CCC(CN)C(C)(C)F;WMYYHFPDUFPGIN-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131351;MM131351;CC(C)(F)C(CN)CN;QHVNQPNTNHODER-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131352;MM131352;CC(C)(F)C(CN)CO;JPOUQRZSYDEAOU-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131353;MM131353;CC(C)(F)C(CF)CF;IKBDDPOHGMWFME-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131354;MM131354;CC(F)(F)C(CN)CF;MMUFMXXDXLDFSW-UHFFFAOYSA-N;141.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131355;MM131355;CC(F)(F)C(CF)CF;HJMBLRUETJHBFL-UHFFFAOYSA-N;144.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131356;MM131356;CNC(CN)C(C)(C)C;GDKJKXGSXDQONC-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131357;MM131357;CCC(NC)C(C)(C)N;FTMYOIOLCRWDRE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131358;MM131358;CNC(CF)C(C)(C)N;OYJQTWHYJHYIIV-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131359;MM131359;CNC(CF)C(C)(C)O;BJHOWCYTNWCZPM-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131360;MM131360;COC(CO)C(C)(C)C;OLAMZUGBKQCZAM-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131361;MM131361;COC(CN)C(C)(C)F;IGWVPXROMDZXDB-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131362;MM131362;COC(CO)C(C)(C)F;NMBZREXFHJHYAE-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131363;MM131363;COC(CN)C(C)(F)F;QBTMLPHUMAHZEM-UHFFFAOYSA-N;139.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131364;MM131364;COC(CN)C(F)(F)F;FNSRYZFYBKMUCL-UHFFFAOYSA-N;143.11;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131365;MM131365;COC(CF)C(F)(F)F;QNELYTQSSHDXMP-UHFFFAOYSA-N;146.08;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131366;MM131366;COC(OC)C(C)(C)C;XUBRLDMMLUFLRU-UHFFFAOYSA-N;132.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131367;MM131367;COC(OC)C(C)(C)F;CKCRTBFRDOWMJW-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131368;MM131368;C=CC(CN)C(C)(C)C;JDVVQMMOBIAATA-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131369;MM131369;CC(C)(C)C(C#N)CO;GUTWFPYFOHOQNM-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131370;MM131370;CC(C)(C)C(C=O)CF;QMWHSXKTCDAWIS-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131371;MM131371;C=CC(CC)C(C)(C)N;ILKNTPVNRVDUAK-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131372;MM131372;C=CC(CF)C(C)(C)N;JSKOGFFMRQGTHQ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131373;MM131373;CC(=NO)C(C)=C(C)C;OWEVOUFJQJDSFS-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131374;MM131374;CCC(C=O)C(C)(C)O;LYXAFYDPRDVILV-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131375;MM131375;C=CC(CF)C(C)(C)O;XLSQFCVHZBNZKI-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131376;MM131376;C=CC(CN)C(C)(C)F;IUBLWOHUPWRSMG-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131377;MM131377;CC(C)(F)C(C=O)CF;BBUODWWODXHESM-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131378;MM131378;C=CC(CN)C(F)(F)F;WCVMYUCAUBRRIS-UHFFFAOYSA-N;139.12;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131379;MM131379;N#CC(CF)C(F)(F)F;JCIZREYCAKHVLV-UHFFFAOYSA-N;141.07;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131380;MM131380;CC1CC(=NO)C=C1N;GFKIILMRKMPIKQ-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131381;MM131381;CNC(C#N)C(C)(C)F;WNUATNDMOFJVHL-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131382;MM131382;CNC(C#N)C(C)(F)F;DXHGXYQPKFZPIJ-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131383;MM131383;COC(C#N)C(C)(C)O;GTDIFSAWLNONDG-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131384;MM131384;COC(C=O)C(C)(C)F;UEBSZUJNKRHCCU-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131385;MM131385;COC(C#N)C(C)(C)F;CFOYINRLZFWNAK-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131386;MM131386;COC(C=O)C(C)(F)F;RAGWESDOCZEZHF-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131387;MM131387;C=NN(CC)C(C)(C)C;XSGMNSFMPUEZHZ-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131388;MM131388;C#CC(CF)C(C)(C)N;IFPUAOIUJRTKFF-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131389;MM131389;C#CC(CF)C(C)(C)O;LIUYRKWNIFPUPI-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131390;MM131390;C#CC(NC)C(C)(C)C;WIBYXRFQHXOUIK-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131391;MM131391;C#CC(NC)C(C)(C)N;DOIHVQNTJXBCHY-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131392;MM131392;C#CC(NC)C(C)(C)O;DYMYNBKJPLAGCE-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131393;MM131393;C#CC(OC)C(C)(C)F;LLYDTVLSHBOOCJ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131394;MM131394;C#CC(OC)C(C)(F)F;VVYYMEWLBADJNX-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131395;MM131395;C#CC(OC)C(F)(F)F;ZUQXRZYBLVKPBA-UHFFFAOYSA-N;138.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131396;MM131396;C=CC(C=C)C(C)(C)N;BZWQGUYRKOPSNM-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131397;MM131397;CC(C)(F)C(C#N)C=O;XDVBKRGUQGGZSE-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131398;MM131398;CC(C)(F)C(C#N)C#N;OEYDSYPTNXCFCV-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131399;MM131399;CC(F)(F)C(C#N)C=O;OASVKGNVQZJZOV-UHFFFAOYSA-N;133.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131400;MM131400;C=CC(C#N)C(F)(F)F;HWOYXTRYVXIDHY-UHFFFAOYSA-N;135.09;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131401;MM131401;N#CC(C=O)C(F)(F)F;VMHCBPJEQXNHKU-UHFFFAOYSA-N;137.06;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131402;MM131402;CC(C)(C)N(C=N)C=N;QERCIAPGXJOHOM-UHFFFAOYSA-N;127.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131403;MM131403;CC(C)(C)N(C=O)C=O;RUZAYKAAOYGMFX-UHFFFAOYSA-N;129.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131404;MM131404;C#CC(C#N)C(C)(F)F;SGKJNPJJGDWNAS-UHFFFAOYSA-N;129.11;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131405;MM131405;C#CC(C#N)C(F)(F)F;ZLQOEHLMJMWIPK-UHFFFAOYSA-N;133.07;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131406;MM131406;CC(C)(C)C(=CF)CN;ADLMPKXCWYYAFT-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131407;MM131407;CCC(=CF)C(C)(C)N;NYCGYHOIEXEJKK-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131408;MM131408;CC=C(CN)C(C)(C)N;JDUSZUYKDHXKAS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131409;MM131409;CCC(=CF)C(C)(C)O;VAEUCNDKJSKNKJ-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131410;MM131410;CC=C(CN)C(C)(C)O;PJQIRGFISAIFPP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131411;MM131411;CC=C(CF)C(C)(C)O;SJHWIVSAQVIMLB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131412;MM131412;CC(C)(O)C(=CF)CF;ODVSBDHKXILRGF-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131413;MM131413;CC(C)(F)C(=CF)CN;YOSBPCLSCITWQY-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131414;MM131414;CCC(=NO)C(C)(C)O;ZFBKOPWJVUFJAQ-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131415;MM131415;C#CC(=NO)C(O)C(N)=O;SOHIDVVUVUJUAD-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131416;MM131416;NN=C(CO)C(F)(F)F;PPOBEJUEDJCPEI-UHFFFAOYSA-N;142.08;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131417;MM131417;Cn1c(=N)n(O)c(=O)n1O;YADCXDHCLPIEJY-UHFFFAOYSA-N;146.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131418;MM131418;CC1=C(N)CCC1=NO;UWBHJLNLTOHILZ-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131419;MM131419;CC=C(OC)C(C)(C)O;OGFXVFTZRKDCTH-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131420;MM131420;COC(=CF)C(C)(C)O;QTOQEWFFIATAOS-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131421;MM131421;CC=C(OC)C(C)(F)F;NWWDOLARJVGCQS-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131422;MM131422;COC(=CF)C(C)(F)F;DBPNMAHKJTUKPV-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131423;MM131423;COC(=CF)C(F)(F)F;RHZYNAAMHCKOJA-UHFFFAOYSA-N;144.07;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131424;MM131424;C=CN(O)C(=NO)NN;VMVZLDLVXNEOML-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131425;MM131425;COC(=NO)C(C)(C)C;IMKFEJXNCPEKCJ-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131426;MM131426;CCC1=CC(=NO)CC1;YBKNABHVGFJACS-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131427;MM131427;CC(F)(C=NO)CC(F)F;DTVDDYWCOKLVAZ-UHFFFAOYSA-N;155.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131428;MM131428;CC(C)(F)C(C=O)=CN;GITALUIBDUUFPY-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131429;MM131429;CC(C)(F)C(C#N)=CN;DXCCAJLQHSYZNE-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131430;MM131430;CC(F)(F)C(C#N)=CN;RPPVQILTFGGBRM-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131431;MM131431;O=CC(F)=CC(CO)=NO;VAFJLRJJTCHWKQ-UHFFFAOYSA-N;147.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131432;MM131432;ON=c1[nH]c(O)co1;AKMQAYLULAADNY-UHFFFAOYSA-N;116.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131433;MM131433;C#CC(=NN)C(C)(C)F;RQMHQEJQMSTEQU-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131434;MM131434;CCCCCC(C)(C)C;PSABUFWDVWCFDP-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131435;MM131435;CC(C)(C)CCCCN;GAHCNYHAKKGGHF-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131436;MM131436;CN=C1COC(NN)=N1;VBOPXIDQDHKWSM-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131437;MM131437;CC(C)(C)CCCCF;FXJVJGNNSRZNQO-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131438;MM131438;CCCCCC(C)(C)N;XGDOCEUIQYYJDC-UHFFFAOYSA-N;129.25;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131439;MM131439;CC(C)(N)CCCCN;LCMYAWSKRGDRFL-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131440;MM131440;CC(C)(N)CCCCO;ZBWCZMLJDIEZLG-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131441;MM131441;CC(C)(C)CC(=O)NC=N;BWFRAUCQZRYGFV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131442;MM131442;CC(C)(O)CCCCN;USUBCUWTACCVCP-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131443;MM131443;CC1=CC(=NO)NC1(C)C;JAXMIWOPQZEMBV-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131444;MM131444;C=C(C)CCC(=N)NC=O;VYHMEAJKBHXLND-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131445;MM131445;CCCCCC(C)(C)F;COBSYACHGCFTOB-UHFFFAOYSA-N;132.22;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131446;MM131446;CC(C)(F)CCCCN;LEQGFSRRIXKLQK-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131447;MM131447;C=C(C)CCC(=O)NC=N;GWFGFDBYYAKIIX-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131448;MM131448;CC(C)(F)CCCCF;OLFJEPLEPYFSBC-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131449;MM131449;CC(F)(F)CCCCN;NOLQNJHXMZABLY-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131450;MM131450;NCCCCC(F)(F)F;YXJKYHJIINJMFM-UHFFFAOYSA-N;141.14;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131451;MM131451;FCCCCC(F)(F)F;WMJABCCOHSJJAM-UHFFFAOYSA-N;144.11;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131452;MM131452;CNCCCC(C)(C)C;JUSHSDMOQVMJDZ-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131453;MM131453;CNCCCC(C)(C)O;FIJPKGRBCASJIV-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131454;MM131454;CNCCCC(C)(C)F;GDUJLBBRDNITSD-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131455;MM131455;COCCCC(C)(C)C;QLBMHQYMMVSBPC-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131456;MM131456;COCCCC(C)(C)O;WQRCPZWIKZVUTI-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131457;MM131457;COCCCC(F)(F)F;WQRALFRUGNGPHV-UHFFFAOYSA-N;142.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131458;MM131458;CCNCCC(C)(C)C;HLSPSIVLFJLIAT-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131459;MM131459;CCNCCC(C)(C)O;GANYPJGJZHVVFO-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131460;MM131460;CCNCCC(C)(C)F;OPNILMGQUGQZAB-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131461;MM131461;CCNCCC(C)(F)F;OQRFNAOPAAFCGN-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131462;MM131462;CCNCCC(F)(F)F;DDCUMHOQMAWOKZ-UHFFFAOYSA-N;141.14;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131463;MM131463;CCOCCC(C)(C)C;SQNRAWDGGCHKFN-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131464;MM131464;CCOCCC(C)(C)N;NOCNYJPPPAILKN-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131465;MM131465;CCOCCC(C)(C)O;ZOAIIZNXNGEVMW-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131466;MM131466;CCOCCC(C)(C)F;WMNCESKFLBCKHC-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131467;MM131467;CCOCCC(C)(F)F;DHVWFWQKWVHGAP-UHFFFAOYSA-N;138.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131468;MM131468;CCOCCC(F)(F)F;JWJILAMNDCBABX-UHFFFAOYSA-N;142.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131469;MM131469;CCCNCC(C)(C)C;KRXFSOSAGFDHBQ-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131470;MM131470;CC(C)(C)CNCCN;HENUECXLPOQEJZ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131471;MM131471;CC(C)(C)CNCCO;MTPDACKXWMOHEB-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131472;MM131472;CC(C)(C)CNCCF;IGBJZPDGOLRRNS-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131473;MM131473;CC(C)(N)CNCCN;CNMOWRKNKWSSDH-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131474;MM131474;CC(C)(N)CNCCO;OEDKOOAJXTXCQZ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131475;MM131475;CC(C)(N)CNCCF;JJNIDKLFCQXNFI-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131476;MM131476;CCCNCC(C)(C)O;BGTOSPGUGMQZPN-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131477;MM131477;CC(C)(O)CNCCN;SZVPAOGRUWWLIJ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131478;MM131478;CC(C)(O)CNCCF;OSQGRKAWDCNTCL-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131479;MM131479;CC(C)(F)CNCCO;LQICVJLEPYYTHC-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131480;MM131480;CC(F)(F)CNCCF;FMNXMCFQBJTWGM-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131481;MM131481;CCCNCC(F)(F)F;KSUNPCLRJWKSHY-UHFFFAOYSA-N;141.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131482;MM131482;CCCOCC(C)(C)C;ZNPQDAPRCXWWCR-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131483;MM131483;CC(C)(C)COCCN;ZDJMCHYOZQIPLB-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131484;MM131484;CC(C)(C)COCCO;DFEYVIFOCMTZOH-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131485;MM131485;CCCOCC(C)(C)N;LRPVYGYXIYHKNJ-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131486;MM131486;CC(C)(N)COCCN;JSZJWEROOCDSTH-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131487;MM131487;CC(C)(N)COCCO;UWSNATOLKGPRFR-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131488;MM131488;CCCOCC(C)(C)O;JGJDFSSOMSPAAM-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131489;MM131489;CCCOCC(C)(C)F;PEUBHRHGPYCMBS-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131490;MM131490;CC(C)(F)COCCN;VNEUTPLMLGHBGW-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131491;MM131491;CC(C)(F)COCCO;AJJXRHGLAXJBDL-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131492;MM131492;CCCOCC(C)(F)F;HEIQPNGPQCIQJV-UHFFFAOYSA-N;138.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131493;MM131493;CCCOCC(F)(F)F;ZQTROQKELIVMCG-UHFFFAOYSA-N;142.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131494;MM131494;COCOCC(C)(C)C;PLHJJYJSDBSHSU-UHFFFAOYSA-N;132.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131495;MM131495;COCOCC(C)(C)N;BKVSIJAYQTWCTH-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131496;MM131496;COCOCC(C)(C)F;WBPKVFVJNGVCSN-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131497;MM131497;COCOCC(C)(F)F;BGOQTRLOBKRSFM-UHFFFAOYSA-N;140.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131498;MM131498;CCCCNC(C)(C)C;VACPZDQXUAOTFR-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131499;MM131499;CC(C)(C)NCCCN;NPMAKXHZQFPWHU-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131500;MM131500;CC(C)(C)NCCCO;PGOFJDZYVIIGGD-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131501;MM131501;CNCCNC(C)(C)C;GKHFZYFZIWRXEJ-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131502;MM131502;CCCCOC(C)(C)C;JJNQHLLBFBGKEL-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131503;MM131503;CC(C)(C)OCCCN;BZCSKDXOXIUCSS-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131504;MM131504;CC(C)(C)OCCCO;GHTWMSKPKHLXPE-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131505;MM131505;CNCCOC(C)(C)C;RCESGBQILBSYQG-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131506;MM131506;COCCOC(C)(C)C;FQQBAHSCHMASLR-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131507;MM131507;CCOCOC(C)(C)C;YOIWVMGFWGMWER-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131508;MM131508;C=CCCCC(C)(C)C;JUQRLACJJQXBDE-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131509;MM131509;CC(C)(C)CCCC=O;XVXGREGYPLBBOW-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131510;MM131510;CC(C)(C)CCCC#N;WVRLZGYZLCMBOU-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131511;MM131511;C=CCCCC(C)(C)N;YSJFOFYMLACWSO-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131512;MM131512;CC(C=NN)=NNC(N)=O;XJGVJQUCDZQPFM-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131513;MM131513;CC(CO)CC(=O)NC=N;VWTNMAYEBPHVPU-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131514;MM131514;C#CC(C)CC(=N)NC=O;CDSSBODFUPEYLE-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131515;MM131515;C=CCCCC(C)(C)F;ZEAUPTSTHIVQTL-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131516;MM131516;CC(C)(F)CCCC=O;WBWQXRTVFQYYOG-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131517;MM131517;CC(C)(F)CCCC#N;SKXLXZUIWFPZEH-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131518;MM131518;C=CCCCC(C)(F)F;NMOTZRULUOURTR-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131519;MM131519;C=CCCCC(F)(F)F;ZDXJSOXLVCWEQZ-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131520;MM131520;O=CCCCC(F)(F)F;SQKDYZDLBBSUKS-UHFFFAOYSA-N;140.1;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131521;MM131521;CC(C)(C)CCNC=N;SXCRZAUUTPDCPW-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131522;MM131522;C#CC(O)CN(C)C=NO;KFDXRWDLPRBGAZ-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131523;MM131523;CC(C)(N)CCNC=N;WLGOMFGECHYADO-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131524;MM131524;CC(C)(O)CCNC=N;XQLUIYFPYOMCQI-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131525;MM131525;CC(C)(O)CCNC=O;YWSUGWWWXZXGQS-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131526;MM131526;CC(C)(F)CCNC=N;PELSITXYRFVYHZ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131527;MM131527;CC(F)(F)CCNC=N;NKDGHAXOLLBMDX-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131528;MM131528;O=CNCCC(F)(F)F;RNWXDRPIQKZQIO-UHFFFAOYSA-N;141.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131529;MM131529;C=NNCCC(C)(C)C;YISYTFURBNKFIC-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131530;MM131530;CNNC(=O)C=C(F)CO;RMRLLKZWUPWSSF-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131531;MM131531;C=NNCCC(C)(F)F;CUJZLNNWFHDCCH-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131532;MM131532;C=NNCCC(F)(F)F;UEJMZBTZIYTXJF-UHFFFAOYSA-N;140.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131533;MM131533;C=COCCC(C)(C)C;QGDLULGKJPWYHE-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131534;MM131534;CC(C)(C)CCOC=O;YFFLWRBDVPDOPH-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131535;MM131535;C=COCCC(C)(C)N;KDTYYABMSSPSEY-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131536;MM131536;C=COCCC(C)(C)O;LSTAFFMUYUORSB-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131537;MM131537;CC(C)(O)CCOC=O;LTBNXPTXFSWJOB-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131538;MM131538;C=COCCC(C)(C)F;IAPITCNAYSBJNX-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131539;MM131539;CC(C)(F)CCOC=O;FXTAZSUXZRAWTC-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131540;MM131540;C=COCCC(C)(F)F;LDYPRNUWFILJCH-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131541;MM131541;CC(F)(F)CCOC=O;MQNUYJDJRGDNLS-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131542;MM131542;C=NOCCC(C)(C)C;QWSCJENWHKJRON-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131543;MM131543;C=NOCCC(C)(C)N;QMLOFGQEWKMTBN-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131544;MM131544;N=C(C=C(N)CF)NC=O;OXVDSFUQJAKWAY-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131545;MM131545;C=NOCCC(C)(C)F;LOHVVQTUIJSDKS-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131546;MM131546;C=NOCCC(C)(F)F;HKYGBNZVCCEPME-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131547;MM131547;C=CCNCC(C)(C)C;NSRNKKYCFUWQRH-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131548;MM131548;CC(C)(C)CNCC=O;KWTSFBZISLAGMX-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131549;MM131549;CC(C)(C)CNCC#N;JLUVPGXFJGMZGL-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131550;MM131550;C=CCNCC(C)(C)F;ASHZTZUCINEKSA-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131551;MM131551;CC(C)(F)CNCC#N;YKGCBVQPHGQCGG-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131552;MM131552;C=CCNCC(F)(F)F;NWXJQPBOJWODIW-UHFFFAOYSA-N;139.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131553;MM131553;CC(C)(N)CNNC=N;TWWXUDRXIGKGPJ-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131554;MM131554;CC(C)(N)CNNC=O;OKBVDTLCFSFRFT-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131555;MM131555;CC(C)(O)CNNC=N;UKXMSAZFCQTBDY-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131556;MM131556;COC(C)=CC(=O)NC=N;DWVGYCAHFJJNPW-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131557;MM131557;CC(C)(F)CNNC=N;VATXJNTWQIFBMQ-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131558;MM131558;C#CC(N)=CC(=O)NC=N;JJVAWNCNCLBTBQ-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131559;MM131559;CC(F)(F)CNNC=N;JQDVLKQPQOYFQA-UHFFFAOYSA-N;137.13;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131560;MM131560;CC(F)(F)CNNC=O;HFMLKLLFSJJTMO-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131561;MM131561;C=CCOCC(C)(C)C;QBSKFRQMQPCJML-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131562;MM131562;CC(C)(C)COCC=O;DZYFTCFBLUHSAZ-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131563;MM131563;CC(C)(C)COCC#N;KQRRCPYUZSFJAV-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131564;MM131564;C=CCOCC(C)(C)N;OZOSUVGNHXJRQV-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131565;MM131565;C=CCOCC(C)(C)O;HKMLCXIWBTYGBW-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131566;MM131566;C=CCOCC(C)(C)F;YZWKSILCTVMHCA-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131567;MM131567;CC(C)(F)COCC=O;NETDEXKWLHHUAL-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131568;MM131568;CC(C)(F)COCC#N;WPMAGHWQVVLJMV-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131569;MM131569;C=CCOCC(C)(F)F;YNQYDXISJXLTRR-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131570;MM131570;CC(F)(F)COCC=O;QJJLILYBNIIYSN-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131571;MM131571;C=CCOCC(F)(F)F;NOTCQEKRIPQPAW-UHFFFAOYSA-N;140.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131572;MM131572;CC(C)(C)CONC=N;JCWMLCXNOBWYQA-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131573;MM131573;CC(C)(C)CONC=O;JGJPREUIRMWKQN-UHFFFAOYSA-N;131.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131574;MM131574;CC(C)(N)CONC=N;CPGZSUFNMRTKAG-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131575;MM131575;CC(C)(N)CONC=O;UNLYQJDSETXILO-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131576;MM131576;CC(C)(O)CONC=N;OARPJJCDZXNVFV-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131577;MM131577;CC(C)(F)CONC=N;GRMTWYCWLPRJOO-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131578;MM131578;CC(C)(F)CONC=O;QYGWEVBAWDYUOR-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131579;MM131579;O=CNOCC(F)(F)F;RXOWZNJCHFEWQW-UHFFFAOYSA-N;143.06;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131580;MM131580;C=CCCNC(C)(C)C;MRKYYGCZSMCFRG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131581;MM131581;C=CCCOC(C)(C)C;KDZVUQNNPKPICM-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131582;MM131582;CC(C)(C)OCCC=O;GSADQTIRLVQGTK-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131583;MM131583;CC(C)(C)OCCC#N;YWWQFUDBRVWOJV-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131584;MM131584;C=COCOC(C)(C)C;RSUADLIOZRGDCV-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131585;MM131585;CC(C)(C)OCOC=O;CGGUWSUBBXTTDD-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131586;MM131586;C=NOCOC(C)(C)C;ZEUHRRJTFHZCPB-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131587;MM131587;C#CCCCC(C)(C)C;VUJSMWCUMLMEKU-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131588;MM131588;C#CCCCC(C)(C)N;ZLLNMXWLNFTODK-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131589;MM131589;COCCCC(=O)NC=N;FESOAWMADNGAPE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131590;MM131590;C#CCCCC(C)(C)F;MEVDOEPCROLBCR-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131591;MM131591;C#CCCCC(C)(F)F;CBTJZHCDSTWMGH-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131592;MM131592;C#CCCCC(F)(F)F;ZLLRQJBWPWMPSE-UHFFFAOYSA-N;136.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131593;MM131593;C#CCNCC(C)(C)C;JZUPUVRBMIUREL-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131594;MM131594;C#CCNCC(C)(C)N;YYBHMKLSENKSFV-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131595;MM131595;C#CCOCC(C)(C)C;JQTOUHBGFHNJRU-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131596;MM131596;C#CCOCC(C)(C)F;HRDVMVLZOBLYEJ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131597;MM131597;C#CCOCC(C)(F)F;OLHLMONGYIIGGZ-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131598;MM131598;C#CCOCC(F)(F)F;NNNZUBXDVPVYFI-UHFFFAOYSA-N;138.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131599;MM131599;C#CCCNC(C)(C)C;LWVYOMKPGFFZIY-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131600;MM131600;C#CCCOC(C)(C)C;PINSTYJDPMPAJD-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131601;MM131601;CC=CCCC(C)(C)C;ILKWPIGRORBSEZ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131602;MM131602;CC=CCCC(C)(C)N;RYFITADXCHGSTI-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131603;MM131603;CC(C)(N)CCC=CF;SXKPIAWMDPITFK-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131604;MM131604;CC#CCCC(=N)NC=O;VQFIWYYIEOIQDW-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131605;MM131605;CC#CCCC(=O)NC=N;RSIHIBZCCNDCBJ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131606;MM131606;CC=CCCC(C)(C)F;QJMLXRMPNYGPTE-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131607;MM131607;CC(C)(F)CCC=CF;ONSONGOKDPNRRJ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131608;MM131608;CC=CCCC(C)(F)F;KKZFOOQLHLCAEA-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131609;MM131609;CC=CCCC(F)(F)F;MSPYRITVYQELBJ-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131610;MM131610;FC=CCCC(F)(F)F;MNQKKMSVEUZXCU-UHFFFAOYSA-N;142.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131611;MM131611;CC(C)(C)CCC=NN;FMNOVBJRBALPFZ-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131612;MM131612;CCOCCN(N)C=NO;VFZQSGIIFCVAGY-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131613;MM131613;CC(C)(F)CCC=NN;DODSEVRMBGLZPQ-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131614;MM131614;CC(F)(F)CCC=NO;SLYJRDBYSZITTH-UHFFFAOYSA-N;137.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131615;MM131615;CNNC(=O)C(=N)NOC;YNXLQMBGKHBTJY-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131616;MM131616;ON=CCCC(F)(F)F;HZMPHVYTRLHJRQ-UHFFFAOYSA-N;141.09;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131617;MM131617;CN=CNCC(C)(C)C;ROMKOZVENDEFNX-UHFFFAOYSA-N;128.22;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131618;MM131618;CC(C)(C)CN=CNN;IMVZNYNWJZFPEA-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131619;MM131619;CN=CNCC(C)(C)N;BCYVOYLPBRLDCH-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131620;MM131620;CN=CNCC(C)(C)F;IEJFPWFKIYWBMQ-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131621;MM131621;CN=CNCC(C)(F)F;DKRPIILFOSCHRR-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131622;MM131622;CN=CNCC(F)(F)F;DATKCCQFMSMVDR-UHFFFAOYSA-N;140.11;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131623;MM131623;CC(N)=C(C)C(=O)NC=N;NWWGVROIDQJOFS-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131624;MM131624;CC1CC1CC(=O)NC=N;CZLBIOVEOVJQKF-UHFFFAOYSA-N;140.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131625;MM131625;CC=COCC(C)(C)C;FNPDSCDLJVILOE-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131626;MM131626;CC(C)(C)COC=CF;VFGXSGIKKLTXJO-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131627;MM131627;CC=COCC(C)(C)N;PENZXXSCSNXFQB-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131628;MM131628;CC(C)(N)COC=CF;CSUYXIAQMUVHDT-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131629;MM131629;CC=COCC(C)(C)O;YOCXACBQUZIBPZ-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131630;MM131630;CC(C)(O)COC=CF;FRCGVLMEPNBKHZ-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131631;MM131631;CC=COCC(C)(C)F;WAGQKBFGAABQSX-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131632;MM131632;CC(C)(F)COC=CF;VYXXSKKGQMSHKO-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131633;MM131633;CC=COCC(C)(F)F;HMPJFZAJRCPVGI-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131634;MM131634;CC(F)(F)COC=CF;BTPSHGKAWPHIKU-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131635;MM131635;CC=COCC(F)(F)F;WVUQBVKFLATYOV-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131636;MM131636;FC=COCC(F)(F)F;ZLGSXNOUJQJKGQ-UHFFFAOYSA-N;144.07;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131637;MM131637;C#CC(=O)NNC(C)CC;RBDJLRRVQWCSLL-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131638;MM131638;CC(C)(C)COC=NO;ITBIKUXBMXTBKD-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131639;MM131639;CC(C)(N)COC=NO;KGERRSCFQWJFOT-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131640;MM131640;CC(C)(O)COC=NO;KWAFGODLRBHHIB-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131641;MM131641;CCC1(C)C=CC(=NO)C1;ZPVJAHULJNHKJF-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131642;MM131642;CC(C)(F)COC=NO;GBQHVOUYFLQVAM-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131643;MM131643;C=CC(N)=CC(C=C)=NO;IZGBPBCWUXHISO-UHFFFAOYSA-N;138.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131644;MM131644;CC=NOCC(C)(C)C;INALWGRFQNKZLY-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131645;MM131645;CC=NOCC(C)(C)N;YJWLMBXBFRYOAG-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131646;MM131646;CCC(C)=C(C)C(C)=NO;SVJZIODSKRCGKQ-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131647;MM131647;CC=NOCC(C)(C)F;YHBGSWKBKQTAPD-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131648;MM131648;CC=NOCC(C)(F)F;MOFJYKJPFXDXPQ-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131649;MM131649;CC=NOCC(F)(F)F;LZACGDWLRBAVAB-UHFFFAOYSA-N;141.09;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131650;MM131650;CC=CCNC(C)(C)C;XXRIRANJUFOEDA-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131651;MM131651;CC(C)(C)NCC=NO;ZZOXLAWQXZXARU-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131652;MM131652;CC=CCOC(C)(C)C;NFCLPHSYOJAWRK-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131653;MM131653;CC(C)(C)OCC=NN;HIFUTLXVLFQWBE-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131654;MM131654;CC(C)(C)ON=CNN;JTLBISLBZWPCDR-UHFFFAOYSA-N;131.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131655;MM131655;C=COC=CNC(C)=NO;TYHKEZOISGSGCV-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131656;MM131656;CC#CCCC(C)(C)C;ZEJHFNTYQZHGLE-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131657;MM131657;CC#CCCC(C)(C)N;QFXNCQUXDCYWFN-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131658;MM131658;CCNC(C=O)C(O)C#N;YRLXRJXZNZONHC-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131659;MM131659;CC#CCCC(C)(C)F;LOVWMKCGQIFOTH-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131660;MM131660;CC#CCCC(C)(F)F;LZHYCTAPRCUCHZ-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131661;MM131661;CC#CCCC(F)(F)F;MTDOKLLVBVFAIQ-UHFFFAOYSA-N;136.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131662;MM131662;CC#CCNC(C)(C)C;JCYKUQZTRDRRDC-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131663;MM131663;CC#CCOC(C)(C)C;FHRMWEXRNRMLAY-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131664;MM131664;CCC=CCC(C)(C)C;XQWKBMWSOBYNIR-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131665;MM131665;CC(C)(C)CC=CCN;BMZJZDJQKPZHGA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131666;MM131666;CC(C)(C)CC=CCO;LPVKDQZJUITFCN-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131667;MM131667;CC(C)(C)CC=CCF;OOKYXDFGMAWBRN-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131668;MM131668;CCC=CCC(C)(C)N;KRAYZEWGOMCLJL-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131669;MM131669;CC(C)(N)CC=CCN;LVWSJSXOBFGDFG-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131670;MM131670;CC(C)(N)CC=CCO;BEKUGQKWIOYTLR-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131671;MM131671;CC(C)(N)CC=CCF;KOZQXBZYFFYRFL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131672;MM131672;C=CC(C=CCCF)=NO;IHLDJFDCPQWLQH-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131673;MM131673;CC(C)(O)CC=CCN;WPUOPTYIQLKOCO-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131674;MM131674;CCC(=NO)NN1CC1C;ONGGOBDHVOURPP-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131675;MM131675;C=CCC1=CC(=NO)NC1;WHXSRKOROOLDQJ-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131676;MM131676;CCC=CCC(C)(C)F;REFGBOFEBVANIQ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131677;MM131677;CC(C)(F)CC=CCN;LBOLTTOSSZYUBI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131678;MM131678;CC(C)(F)CC=CCO;SJHFMRWQACZUSC-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131679;MM131679;CC(C)(F)CC=CCF;DFKQRICNBLRWTQ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131680;MM131680;CC(F)(F)CC=CCN;YTKGWJFNRBBKQS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131681;MM131681;CC(F)(F)CC=CCO;GGVHVRQPPKKXAS-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131682;MM131682;CC(F)(F)CC=CCF;ACOONUCKOKMVTQ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131683;MM131683;COC=CCC(C)(F)F;HSOXHTOQGQFHGJ-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131684;MM131684;COC=CCC(F)(F)F;BJUFDPFPWCYZSQ-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131685;MM131685;CNN=CCC(C)(C)C;CTWCUTURGNTFHV-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131686;MM131686;CNN=CCC(C)(F)F;PSYBVDGBEKJFFV-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131687;MM131687;CCC(=N)NC=O;AEZSNIWNOPGMOQ-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131688;MM131688;CON=CCC(C)(C)C;JILHAACLAHQNRL-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131689;MM131689;CON=CCC(C)(C)N;VYRXWRVGBKCDSP-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131690;MM131690;CCC(=O)NC=N;BCOLWPAYHBQVEH-UHFFFAOYSA-N;100.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131691;MM131691;CON=CCC(C)(C)F;ZRXUANHBAKBEKY-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131692;MM131692;CON=CCC(C)(F)F;HJGPUQSMXOXGFW-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131693;MM131693;CCN=CNC(C)(C)C;USGSTHPBDSJKHZ-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131694;MM131694;CON=CNC(C)(C)C;MNWPRRINVXWRCY-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131695;MM131695;CCC=NNC(C)(C)C;JNKAGTAPIHQJNT-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131696;MM131696;NNC(=O)C=CF;YNEFUFKCVLFTLU-UHFFFAOYSA-N;104.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131697;MM131697;CCC=COC(C)(C)C;HGDXHWHRRPDWQW-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131698;MM131698;CC(C)(C)OC=CCN;AMZVNIXITJRUBL-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131699;MM131699;CC(C)(C)OC=CCO;LYYKNDCPQAUSCW-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131700;MM131700;CC(C)(C)OC=CCF;HLYJWNQAQAGJIA-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131701;MM131701;COC=COC(C)(C)C;ZHSKZAWXSHQAGN-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131702;MM131702;CON=COC(C)(C)C;FJYSTQLINAHSIG-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131703;MM131703;CCC=NOC(C)(C)C;JPBMQFOFZMGMMZ-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131704;MM131704;CC(C)(C)ON=CCN;SIDBKUOBYMPHRR-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131705;MM131705;CCCC(=N)NC=O;WJZGOUHUCLGNHH-UHFFFAOYSA-N;114.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131706;MM131706;COC=NOC(C)(C)C;YHBOYEFLSNRPFC-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131707;MM131707;C=CC=CCC(C)(C)C;YPHHKFWHAPFOFK-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131708;MM131708;CC(C)(C)CC=CC=O;LMMXDLVKWLZURD-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131709;MM131709;CC(C)(C)CC=CC#N;RUWJJIJENZKKDA-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131710;MM131710;C=CC=CCC(C)(C)N;LXAGISVJIXOWGY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131711;MM131711;CCCC(=O)NC=N;LZQGFKJBUPONLH-UHFFFAOYSA-N;114.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131712;MM131712;CC1CCC(=NO)N1;GWKTYXDZSJVSGW-UHFFFAOYSA-N;114.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131713;MM131713;C=NNC(=O)C1CN1;ICYABZMAACXCOV-UHFFFAOYSA-N;113.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131714;MM131714;C=CC=CCC(C)(C)F;OGPWCUTVKATCSB-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131715;MM131715;CC(C)(F)CC=CC=O;CGCVLLONBMTINW-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131716;MM131716;CC(C)(F)CC=CC#N;LTNQCIBEBMSISP-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131717;MM131717;C=CC=CCC(C)(F)F;CPQGYTFEBCNTRK-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131718;MM131718;CC(F)(F)CC=CC=O;CMSHMWHVLGJHSI-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131719;MM131719;CC(F)(F)CC=CC#N;FTHYQBGDFWOVAC-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131720;MM131720;C=CC=CCC(F)(F)F;NKAHSRWTSPBCQJ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131721;MM131721;N#CC=CCC(F)(F)F;HGWIMLTUBQSUMT-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131722;MM131722;C=NN=CCC(C)(C)C;VOCPISLGBPCECT-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131723;MM131723;C=NN=CCC(C)(C)N;MVAQJNZDHJSRQS-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131724;MM131724;C=NN=CCC(C)(C)O;YQZSSXZPNGIXID-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131725;MM131725;C=NN=CCC(C)(C)F;XIKQDXLCWYHLMT-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131726;MM131726;C=NN=CCC(C)(F)F;GUQPOLVKPLCOPD-UHFFFAOYSA-N;134.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131727;MM131727;CC(C)(C)NC=CC=O;IIYAOGBVOZTIJV-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131728;MM131728;CC(C)(C)NC=CC#N;MLYHCPSVVARPEW-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131729;MM131729;CC(C)(C)N=CNC=N;YTHBLMNTXHTJKZ-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131730;MM131730;CC(C)(C)N=CNC=O;MJQUQEDWRHWSQU-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131731;MM131731;CC1(C)C=CC(=NO)N1;FYLNFFGEWWRZSQ-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131732;MM131732;COC=CC(=O)NC=N;RTTHAGDFOHJZKQ-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131733;MM131733;CC(C)(C)NN=CC#N;WUALHTZTRHNGIX-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131734;MM131734;C=CC=COC(C)(C)C;BYBSDCWTWYGDPM-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131735;MM131735;CC(C)(C)OC=CC=O;HJKIBCDKOXATSW-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131736;MM131736;CC(C)(C)OC=CC#N;MZAPGBFQKPPHRU-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131737;MM131737;C=NN=COC(C)(C)C;KNGNZUOXGGDPIX-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131738;MM131738;C=CC=NOC(C)(C)C;XYDPXEVXFYOAIJ-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131739;MM131739;CC(C)(C)ON=CC=O;XVORGGCGPMJPFU-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131740;MM131740;CC(C)(C)ON=CC#N;AAIAAAJBQZDXIQ-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131741;MM131741;C#CC=CCC(C)(C)C;RGIHIQGGRJLPEF-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131742;MM131742;C#CC=CCC(C)(C)N;WKAFHIUOPYDWGL-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131743;MM131743;NN=CC(O)C(=O)NN;XTZVYTJMYPUIGU-UHFFFAOYSA-N;132.12;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131744;MM131744;C#CC=CCC(C)(C)F;VUOVUJKIMRAIFM-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131745;MM131745;C#CC=CCC(C)(F)F;PJQNVVCAZZRUNG-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131746;MM131746;C#CC=CCC(F)(F)F;UXUOFPPXZRLYER-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131747;MM131747;C#CC=COC(C)(C)C;DWXUCJSLPHOOQD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131748;MM131748;C#CC=NOC(C)(C)C;HCOARRPMZCNNEK-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131749;MM131749;CCC#CCC(C)(C)C;WZLLMKMGPOKUOY-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131750;MM131750;CC(C)(C)CC#CCN;CAFNOFOZAWTYPA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131751;MM131751;CC(C)(C)CC#CCO;SBBSRHCEFIPXFJ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131752;MM131752;CC(C)(C)CC#CCF;PFTWKXIMEQQQPU-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131753;MM131753;CCC#CCC(C)(C)N;KLDCBPIOKGBGCN-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131754;MM131754;CC(C)(N)CC#CCF;AHBFZGINYFDQRV-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131755;MM131755;CC1C(C#N)N=CN1O;AAUVSENPUFWWED-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131756;MM131756;CCC1C=CC(=NO)C1;XOFAQOWBCGPQJR-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131757;MM131757;CCC#CCC(C)(C)F;JVFBNWQHNCBVAG-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131758;MM131758;CC(C)(F)CC#CCN;FTABKBZMIAPSNV-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131759;MM131759;CC(C)(F)CC#CCO;DHSBNRJLDIUJGL-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131760;MM131760;CC(C)(F)CC#CCF;QJPYKXDREBXELB-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131761;MM131761;CCC#CCC(C)(F)F;CDOCZAORLNFVOS-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131762;MM131762;CC(F)(F)CC#CCN;XEJDKRWCWXWDFP-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131763;MM131763;CC(F)(F)CC#CCO;OBGYBGQYSHKBBM-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131764;MM131764;CC(F)(F)CC#CCF;GSGGHQABWQSTAF-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131765;MM131765;CCC#CCC(F)(F)F;NWWXQEPVABAOJN-UHFFFAOYSA-N;136.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131766;MM131766;OCC#CCC(F)(F)F;VRXIEBFTOWHEHH-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131767;MM131767;FCC#CCC(F)(F)F;UKBQHJNYCYYOIV-UHFFFAOYSA-N;140.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131768;MM131768;C=CC#CCC(C)(C)C;FJTUQRUEJPYMEA-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131769;MM131769;CC(C)(C)CC#CC=O;SKLQOVRPDNGNDE-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131770;MM131770;CC(C)(C)CC#CC#N;KIBDDCKRNZSHPC-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131771;MM131771;C=CC#CCC(C)(C)N;NBJAELOKQWSRPM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131772;MM131772;CC(=O)NC(=N)CCCF;KGGHGGCVWPZTGY-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131773;MM131773;CC(C)(O)CC#CC#N;YBGNTCSWLFLACM-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131774;MM131774;C=CC#CCC(C)(C)F;CHBLVUJTOWWGJJ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131775;MM131775;CC(C)(F)CC#CC=O;AVYIHCURDBGVND-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131776;MM131776;CC(C)(F)CC#CC#N;NRNJDSKTLGQBNV-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131777;MM131777;C=CC#CCC(C)(F)F;GBZPLPHKKCARCQ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131778;MM131778;CC(F)(F)CC#CC=O;OZIOQBOAHUDKRT-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131779;MM131779;CC(F)(F)CC#CC#N;CHPCCGCNGKOPBA-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131780;MM131780;C#CC#CCC(C)(C)C;HKHYUWCMHMLMIM-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131781;MM131781;C#CC#CCC(C)(C)N;GJUSAZGHQOWVNS-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131782;MM131782;CC(=N)NC(=O)CCCF;BJRJXNPHAKJAEJ-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131783;MM131783;C#CC#CCC(C)(C)F;XEHOLFMAOIFXBL-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131784;MM131784;C#CC#CCC(C)(F)F;WTWXKAUVJCJWPZ-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131785;MM131785;CCCC=CC(C)(C)C;BQOCYCICSYUPRF-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131786;MM131786;CC(C)(C)C=CCCN;VARYCYFNPLCWLW-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131787;MM131787;CC(C)(C)C=CCCO;DCULKBZETKTADO-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131788;MM131788;CCCC=CC(C)(C)N;AVOIKRYEKRAFEP-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131789;MM131789;CC(C)(N)C=CCCN;PGIBYPKPJRWZGP-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131790;MM131790;CC(C)(N)C=CCCF;DKQLGUZLAMQGOT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131791;MM131791;N=C(NO)OC(=O)C(N)=O;VVDXPSMISPKFFP-UHFFFAOYSA-N;147.09;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131792;MM131792;CC1(C)CC(=NO)C=C1N;YWXLUNGYFBWBEC-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131793;MM131793;CNNC(=O)NCC(F)F;ZXKWFOBHUKLISO-UHFFFAOYSA-N;153.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131794;MM131794;CC(C)(F)C=CCCN;RZZJDZZULYVQGU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131795;MM131795;CC(C)(F)C=CCCO;BTWBKJVZDRDBER-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131796;MM131796;CC(C)(F)C=CCCF;WBXNPLWLDBAPHR-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131797;MM131797;CC(F)(F)C=CCCN;NYYGVNBJVZHXFE-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131798;MM131798;NCCC=CC(F)(F)F;GKADKRAQOLEPKL-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131799;MM131799;CNCC=CC(C)(C)C;DDFRWJSHRLSJEJ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131800;MM131800;CNCC=CC(C)(C)F;UAIZTYLIZGIWRR-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131801;MM131801;CNCC=CC(C)(F)F;BIQABFAPEQFONT-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131802;MM131802;CNCC=CC(F)(F)F;AUJAIIJNNYQWOP-UHFFFAOYSA-N;139.12;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131803;MM131803;COCC=CC(C)(C)C;OHKCOTIFCKRLLX-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131804;MM131804;COCC=CC(C)(C)N;TZEFOWRISYJSMX-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131805;MM131805;COCC=CC(C)(C)F;QBBUHGNQUFZXIR-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131806;MM131806;CCOC=CC(C)(C)C;WSGATPNSJGOYHJ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131807;MM131807;CCOC=CC(C)(C)N;AUSKLMFLGHBNBG-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131808;MM131808;CCOC=CC(C)(C)O;PFCWYTUAZHEFKS-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131809;MM131809;CCOC=CC(C)(C)F;IKGFPPYFRJEPDX-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131810;MM131810;CCOC=CC(C)(F)F;YRJOTESZANQYLQ-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131811;MM131811;CCOC=CC(F)(F)F;CXPDIKCBUPMVRN-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131812;MM131812;CCNN=CC(C)(C)C;FGPZQJRJSLULMR-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131813;MM131813;CC(C)CCC(=N)NC=O;CUBCTYMPYYXIJU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131814;MM131814;CCON=CC(C)(C)C;HPQWSAQYOXKGMG-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131815;MM131815;CCON=CC(C)(C)N;KNLZKWWSAFKVNU-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131816;MM131816;CC(C)CCC(=O)NC=N;BZYBEXDOZVMYDQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131817;MM131817;CCON=CC(C)(C)F;WHNONCJBOWZRAH-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131818;MM131818;CCON=CC(C)(F)F;DBZRIGUKYSGKGR-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131819;MM131819;C=CCC=CC(C)(C)C;ZGJKAUXKGMEHQL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131820;MM131820;CC(C)(C)C=CCC#N;XUWCVMSAQSVPLD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131821;MM131821;C=CCC=CC(C)(C)N;VOKYDEGWBDECQL-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131822;MM131822;CCCCCC(=N)NC=O;BESJBDCVCKORSK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131823;MM131823;CCCCCC(=O)NC=N;HLDCOJYZCWJRSY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131824;MM131824;N=CNC(=O)CCCCO;HOFHIGNPYNZZFE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131825;MM131825;C=CCC=CC(C)(C)F;WVGUEOJILACZNB-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131826;MM131826;CC(C)(F)C=CCC=O;YJUAYBYURTVVJR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131827;MM131827;CC(C)(F)C=CCC#N;FYMQABXGDKVDRI-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131828;MM131828;CC(F)(F)C=CCC#N;ZEONQNHKWXJAKJ-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131829;MM131829;C=CCC=CC(F)(F)F;BQHFHWWBNMHCES-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131830;MM131830;O=CCC=CC(F)(F)F;OMCAJTWLRVKBOV-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131831;MM131831;CC(C)(C)C=CNC=N;JYXPTPKXUIGEKJ-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131832;MM131832;CC(C)(C)C=CNC=O;QAXCAKXUJIDEFX-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131833;MM131833;CC(C)(O)C=CNC=N;WPQNYYARNLGSMD-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131834;MM131834;CC(C)(F)C=CNC=N;KNXPWLZWHOMYDY-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131835;MM131835;CC(C)(F)C=CNC=O;LQRKNODZVPGNGN-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131836;MM131836;C=COC=CC(C)(C)C;JHXQPLZKMDUIGR-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131837;MM131837;CC(C)(C)C=COC=O;QUKHWTKIGGIHBO-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131838;MM131838;C=COC=CC(C)(C)N;VLICZIULRLDVCJ-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131839;MM131839;C=COC=CC(C)(C)O;GUZMMWURBJXENL-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131840;MM131840;CC(C)(O)C=COC=O;DAKVUWAGLJXCGC-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131841;MM131841;C=COC=CC(C)(C)F;ZQWROMPFLFHWDG-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131842;MM131842;CC(C)(F)C=COC=O;HBPVMLFRZWIGJG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131843;MM131843;C=COC=CC(C)(F)F;AFJQYAOQCBYIGN-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131844;MM131844;CC(F)(F)C=COC=O;SDNATFQJMHMOGV-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131845;MM131845;C=COC=CC(F)(F)F;HEGNFSCNDFVOLP-UHFFFAOYSA-N;138.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131846;MM131846;O=COC=CC(F)(F)F;NBMJLSCWRYEAHL-UHFFFAOYSA-N;140.06;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131847;MM131847;CC(C)(C)C=NNC=O;VFBDCFNWDSUKDQ-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131848;MM131848;CC(C)(N)C=NNC=O;YAONDCZWCFPNEV-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131849;MM131849;CC(C)(O)C=NNC=O;JZMKRPQEJAMESX-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131850;MM131850;CC(C)(F)C=NNC=O;RVNDSCVQKBPXPW-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131851;MM131851;CC(C)(C)C=NOC=O;BFBUFLWYTBOICL-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131852;MM131852;CC(C)(N)C=NOC=O;PZKJPYTZEJLDNC-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131853;MM131853;CC(C)(F)C=NOC=O;YSTSMCBIAPFWHF-UHFFFAOYSA-N;133.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131854;MM131854;CC(F)(F)C=NOC=O;GINPHWKVKXGDIO-UHFFFAOYSA-N;137.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131855;MM131855;C=CNC=NC(C)(C)C;OUHSCSDNRWAZOF-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131856;MM131856;C#CCC=CC(C)(C)C;CVERQVCAMIYAOC-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131857;MM131857;C#CCC=CC(C)(C)N;BYITUJVMGGKHSQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131858;MM131858;C=CCCCC(=N)NC=O;GKBTVOBTUAPLCP-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131859;MM131859;C#CCC=CC(C)(C)F;QIWNBOUBQCONSO-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131860;MM131860;C#CCC=CC(C)(F)F;ALDFSVKFTRHWLL-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131861;MM131861;CC=CC=CC(C)(C)C;GKQLEZIWGSTOGT-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131862;MM131862;CC(C)(C)C=CC=CF;HSRSEIRLVJQPAD-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131863;MM131863;CC=CC=CC(C)(C)N;GQWNFJDMIAVZEM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131864;MM131864;N=C(CCCC=O)NC=O;XUOKWYJILMWVKF-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131865;MM131865;CC=CCCC(=N)NC=O;OYUSYZOFSJOLDO-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131866;MM131866;CC=CC=CC(C)(C)F;DZCVWDRZJSYXKY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131867;MM131867;CC(C)(F)C=CC=CF;XMDDACXHOOLGKE-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131868;MM131868;CC=CC=CC(C)(F)F;FGIXHGXDDQDIOF-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131869;MM131869;CC(F)(F)C=CC=CF;RLLYAHUHPZETNR-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131870;MM131870;CC=CC=CC(F)(F)F;IOUSDJSVEORNFE-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131871;MM131871;CC(C)(C)C=CC=NN;PWEINHNVHXKESF-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131872;MM131872;CNNC(=O)NC=CC#N;FVUKZWUJMLUPHC-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131873;MM131873;CCOC=CC(=O)NC=N;HLCKHFQPADLEAE-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131874;MM131874;CC(F)(F)C=CC=NO;KGSJSVFCYQOJGW-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131875;MM131875;CC=NN=CC(C)(C)C;SPZDMRCSWCVSGM-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131876;MM131876;CC=NN=CC(C)(C)N;UYVPTUOJWOIPLV-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131877;MM131877;CC=NN=CC(C)(C)O;GIWQODBEXJADIA-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131878;MM131878;CC=NN=CC(C)(C)F;VWGZAOAHRSFYCB-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131879;MM131879;CC=NN=CC(C)(F)F;MNHFBXBSRFVBOM-UHFFFAOYSA-N;134.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131880;MM131880;CC=NN=CC(F)(F)F;ITVKIZXCPMAPAZ-UHFFFAOYSA-N;138.09;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131881;MM131881;CC#CC=CC(C)(C)C;ASAUYRCKRWGZCO-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131882;MM131882;CC#CC=CC(C)(C)N;UMRLQIGPTMZIKX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131883;MM131883;C=COC=CC(=O)NC=N;WDLQQUXTKRVLTB-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131884;MM131884;CC#CC=CC(C)(C)F;RYGQMYMHWIQXGI-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131885;MM131885;CC#CC=CC(C)(F)F;PVULOJNGTQYFME-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131886;MM131886;CC#CC=CC(F)(F)F;HCJOOBVZISXSMU-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131887;MM131887;CCCC#CC(C)(C)C;MTPDNPQNJMXLRN-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131888;MM131888;CC(C)(C)C#CCCN;SJDDWZOFTMEFCY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131889;MM131889;CC(C)(C)C#CCCO;UBKDWFWJSKMFQA-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131890;MM131890;CC(C)(C)C#CCCF;ZIJPTVOFACSUCN-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131891;MM131891;CCCC#CC(C)(C)N;OWYMKGQVHFRYOV-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131892;MM131892;CC(C)(N)C#CCCF;APZIORSRUUPHOT-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131893;MM131893;CCCC#CC(C)(C)O;AWSIETBOWGIMBS-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131894;MM131894;CC(C)(O)C#CCCF;ZUWWPNISTLAOPH-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131895;MM131895;CCCC#CC(C)(C)F;KEVOAZPDZHPQND-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131896;MM131896;CC(C)(F)C#CCCN;IQKMKEFSJOFUEJ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131897;MM131897;CC(C)(F)C#CCCO;JCPQFIUEUCKDKZ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131898;MM131898;CC(C)(F)C#CCCF;GGPMRGHPAHVEAA-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131899;MM131899;CCCC#CC(C)(F)F;GROUZCTZAQCRLL-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131900;MM131900;CC(F)(F)C#CCCN;JXBVSJPOSHAUOT-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131901;MM131901;CC(F)(F)C#CCCO;NVBJKOJYVVROAP-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131902;MM131902;CC(F)(F)C#CCCF;CCPBOCXINPDPSI-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131903;MM131903;CCCC#CC(F)(F)F;OWSMFECIEBVLGM-UHFFFAOYSA-N;136.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131904;MM131904;NCCC#CC(F)(F)F;SHPHLGWOWMKMBZ-UHFFFAOYSA-N;137.1;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131905;MM131905;OCCC#CC(F)(F)F;JRLGQPVSCRWTEG-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131906;MM131906;FCCC#CC(F)(F)F;ICGFXTUJYGFTGN-UHFFFAOYSA-N;140.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131907;MM131907;CNCC#CC(C)(C)C;GQWRFYUCVFLTQA-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131908;MM131908;CNCC#CC(C)(C)N;MWGLWTPQNLQPCA-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131909;MM131909;CNCC#CC(C)(C)F;VGYDJDQIMWYPCZ-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131910;MM131910;CNCC#CC(F)(F)F;APDBNUKNYLHALM-UHFFFAOYSA-N;137.1;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131911;MM131911;COCC#CC(C)(C)C;NHWXHESYFHXHEW-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131912;MM131912;COCC#CC(C)(C)N;XIONPUDOBCKYEE-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131913;MM131913;COCC#CC(C)(C)O;VDFIWROUXRMIIQ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131914;MM131914;COCC#CC(C)(C)F;FGWIWGGCUDXHLF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131915;MM131915;COCC#CC(C)(F)F;UIGBAOBIHHYPST-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131916;MM131916;COCC#CC(F)(F)F;IZELGOGRXBWYIV-UHFFFAOYSA-N;138.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131917;MM131917;C=CCC#CC(C)(C)C;QRHNYBRFNGHGDC-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131918;MM131918;CC(C)(C)C#CCC=O;SNFZPFKPLRJXDK-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131919;MM131919;CC(C)(C)C#CCC#N;ZEPPQKWVHIYOFA-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131920;MM131920;C=CCC#CC(C)(C)N;DYFDSQLYCSCOPP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131921;MM131921;C=CCC#CC(C)(C)O;OCIGNFUSKHCDHV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131922;MM131922;CC(C)(O)C#CCC=O;FLGSUXUFTBZSDJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131923;MM131923;C=CCC#CC(C)(C)F;LOYLIISQPOLNEE-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131924;MM131924;CC(C)(F)C#CCC=O;TWXFMCNGPPAOFG-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131925;MM131925;CC(C)(F)C#CCC#N;IUUCTJKABQGZHD-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131926;MM131926;C=CCC#CC(C)(F)F;NXFMXAFAAGKVIC-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131927;MM131927;CC(F)(F)C#CCC=O;AHQQSXWQOYADIZ-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131928;MM131928;CC(F)(F)C#CCC#N;AQGCDSOQNCHHPN-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131929;MM131929;C=CCC#CC(F)(F)F;LPIWLLVSBWLWHV-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131930;MM131930;O=CCC#CC(F)(F)F;VFCKILWLYAGXAV-UHFFFAOYSA-N;136.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131931;MM131931;N#CCC#CC(F)(F)F;YCZKOENUXFQVSF-UHFFFAOYSA-N;133.07;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131932;MM131932;C#CCC#CC(C)(C)C;CSUYZUKRFIBCRQ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131933;MM131933;C#CCC#CC(C)(C)N;FEAIAAMHZMVHLP-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131934;MM131934;C#CCC#CC(C)(C)O;PPWZBXVLJHOIRS-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131935;MM131935;C#CCC#CC(C)(C)F;AZIGTJVHCDCJGV-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131936;MM131936;C#CCC#CC(C)(F)F;CDGHWFMIROHEDZ-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131937;MM131937;C#CCC#CC(F)(F)F;YTJSPMOCKYSPQH-UHFFFAOYSA-N;132.08;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131938;MM131938;CC=CC#CC(C)(C)C;SPZSQNDDWCVCPE-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131939;MM131939;CC(C)(C)C#CC=CF;NJTAMTCYUFOTFK-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131940;MM131940;CC=CC#CC(C)(C)N;QTOPAUSRVNWLGO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131941;MM131941;CC(C)(N)C#CC=CF;JSOXNEBYUBXSPD-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131942;MM131942;CC=CC#CC(C)(C)O;RQLDWXGYEGTDAX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131943;MM131943;CC(C)(O)C#CC=CF;QFKRXFBEODTDPI-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131944;MM131944;CC=CC#CC(C)(C)F;UGVXEDUEPRXFGI-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131945;MM131945;CC(C)(F)C#CC=CF;CYWGXDOEAFVOOD-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131946;MM131946;CC=CC#CC(C)(F)F;SDYWYKCYCPEGAY-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131947;MM131947;CC(F)(F)C#CC=CF;CGCRVEKHZDKBNP-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131948;MM131948;CC=CC#CC(F)(F)F;NICFJDISDOUUQP-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131949;MM131949;FC=CC#CC(F)(F)F;UGFAFBOULOHXEU-UHFFFAOYSA-N;138.06;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131950;MM131950;CC(C)(C)C#CC=NN;VDRIIANFXRYEAD-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131951;MM131951;CC(C)(C)C#CC=NO;JKOSXRKZUXKDQC-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131952;MM131952;CC(C)(N)C#CC=NO;OHPDVRGBICMQBJ-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131953;MM131953;CC(C)(F)C#CC=NN;LTWHDNCFUWAFCM-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131954;MM131954;CC(C)(F)C#CC=NO;TXELRZVFTKHCKC-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131955;MM131955;CC(F)(F)C#CC=NN;KPOCDTAJBLGDAE-UHFFFAOYSA-N;132.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131956;MM131956;CC(F)(F)C#CC=NO;NMMZNILAGCTFBE-UHFFFAOYSA-N;133.1;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131957;MM131957;NN=CC#CC(F)(F)F;SJUQLQWTJDQQQD-UHFFFAOYSA-N;136.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131958;MM131958;CC#CC#CC(C)(C)C;BBOFVWAFKIWMLA-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131959;MM131959;CC#CC#CC(C)(C)N;MAFWPNUIKPVUSW-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131960;MM131960;CC#CC#CC(C)(C)O;CEKYROSVVUOCDK-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131961;MM131961;CC#CC#CC(C)(C)F;HRNYKSKSARBDRN-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131962;MM131962;CC#CC#CC(C)(F)F;PPGZWJRBLAYSRA-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131963;MM131963;CC#CC#CC(F)(F)F;QPPMFEOPGPWRMF-UHFFFAOYSA-N;132.08;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131964;MM131964;CCCC(C)C(C)(C)C;CBVFSZDQEHBJEQ-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131965;MM131965;CC(CCN)C(C)(C)C;QMWRCKNBMIIQME-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131966;MM131966;C=C(CCF)C(=N)NC=O;GMNXGERBHXNITL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131967;MM131967;CC(CCF)C(C)(C)C;XPCKNDOBECBLEL-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131968;MM131968;CCCC(N)C(C)(C)C;JGIHOPRCMAKAIO-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131969;MM131969;CC(C)(C)C(N)CCN;GFLQRTCHQOIOST-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131970;MM131970;CC(C)(C)C(O)CCN;IUKICUAZNUHIDR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131971;MM131971;CC(C)(C)C(O)CCO;NXRFQMYYYRHGMU-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131972;MM131972;CCCC(C)C(C)(C)N;BJPDXMOHQOQSGJ-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131973;MM131973;CC(CCN)C(C)(C)N;IFDXKEMLINMVHJ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131974;MM131974;CC(CCO)C(C)(C)N;DMRRHIHVXKUMHB-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131975;MM131975;CC(CCF)C(C)(C)N;MKMJXOGXMQOPHH-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131976;MM131976;CCCC(N)C(C)(C)N;UWQVYACRAIPQKP-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131977;MM131977;CC(C)(N)C(N)CCN;BEKXBJTUSQBDQD-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131978;MM131978;CC(C)(N)C(O)CCN;HPGGGEYEBKEKAU-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131979;MM131979;CC(C)(N)C(O)CCO;ZYOXZMRBQSYBPY-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131980;MM131980;CC(C)(N)C(O)CCF;FZLBEFFEMSBEID-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131981;MM131981;CCCC(F)C(C)(C)N;HUTVZLPBKVWASM-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131982;MM131982;CC(C)(N)C(F)CCF;IJARMTMICVQBAJ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131983;MM131983;CNNC(=O)C(C)=NOC;WSWZMFLDJQYYBI-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131984;MM131984;CC(CCN)C(C)(C)O;XFAWPWOTJFYAHL-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131985;MM131985;CC(CCF)C(C)(C)O;RKOORAXMZBBMLD-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131986;MM131986;CCCC(N)C(C)(C)O;DOKRDRHNQKDYMU-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131987;MM131987;CC(C)(O)C(O)CCO;UDQPMMLBKMIYHV-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131988;MM131988;CCCC(F)C(C)(C)O;ILRMOUOTMAZTFD-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131989;MM131989;CC(C)(O)C(F)CCF;POFDMVWVUJJJQQ-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131990;MM131990;CCCC(C)C(C)(C)F;BEEFQFWOOXOJHP-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131991;MM131991;CC(CCN)C(C)(C)F;CLUJLMRRDHYUGN-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131992;MM131992;CC(CCF)C(C)(C)F;GPHSVIQXGYCPFL-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131993;MM131993;CCCC(N)C(C)(C)F;UCPWLWIZVCLEDH-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131994;MM131994;CC(C)(F)C(N)CCF;YSBHUZOQSKMIPN-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131995;MM131995;CCCC(C)C(C)(F)F;HPXJLOOCHZICRB-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131996;MM131996;NCCC(N)C(F)(F)F;SKJDAWLQEAUBDF-UHFFFAOYSA-N;142.12;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131997;MM131997;OCCC(O)C(F)(F)F;SCLIIHMYYAHRGK-UHFFFAOYSA-N;144.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131998;MM131998;OC(CCF)C(F)(F)F;IKPGGAKFFAVPCV-UHFFFAOYSA-N;146.08;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM131999;MM131999;CNCC(C)C(C)(C)C;DQODAOLMFSZRFN-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132000;MM132000;CNCC(N)C(C)(C)C;JPAOUXGZIYXKAU-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132001;MM132001;CNCC(O)C(C)(C)C;VKRAILPVHDGHBF-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132002;MM132002;CNCC(F)C(C)(C)C;BEHAZBJKNBEIKE-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132003;MM132003;CNCC(N)C(C)(C)N;SYCCLMYNCBMFFJ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132004;MM132004;CNCC(O)C(C)(C)N;WTIATNHJBGVGMP-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132005;MM132005;CNCC(C)C(C)(C)O;GYAZKJQAVVMFRW-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132006;MM132006;COCC(C)C(C)(C)C;OQRVUQRRBRVJEY-UHFFFAOYSA-N;130.23;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132007;MM132007;COCC(O)C(C)(C)C;MCNKQNGPUIQVSN-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132008;MM132008;COCC(C)C(C)(C)N;DINHGMWFNZSSKR-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132009;MM132009;COCC(O)C(C)(C)N;QGDWDBVGHHIHOH-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132010;MM132010;COCC(C)C(C)(C)O;DCBRATAIRRFFOT-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132011;MM132011;COCC(N)C(C)(C)F;GCKVOHJHDHKJKX-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132012;MM132012;COCC(F)C(F)(F)F;DSVFYXVLYRZRAA-UHFFFAOYSA-N;146.08;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132013;MM132013;CCNC(C)C(C)(C)C;DYXSVAMENTZFRM-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132014;MM132014;CCNC(C)C(C)(C)N;MXBBRCPQOASGRP-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132015;MM132015;CCNC(C)C(C)(C)O;KOHVTSJAWMVVSW-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132016;MM132016;CCNC(C)C(C)(C)F;BXBHCHYWIJYTAB-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132017;MM132017;CCOC(C)C(C)(C)C;VXQNOFUUYFPASX-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132018;MM132018;CCOC(C)C(C)(C)N;ZIAULVBXUMGXEA-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132019;MM132019;CCOC(C)C(C)(C)O;LJXKGCLNVNUCMN-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132020;MM132020;CCCN(C)C(C)(C)C;XPDLSBHYRXTNBI-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132021;MM132021;CN(CCN)C(C)(C)C;KNDZRNGWKNYABY-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132022;MM132022;CN(CCF)C(C)(C)C;NHWLYPCJLGZQAS-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132023;MM132023;C=CCC(C)C(C)(C)C;NGTUGVRNUBJLQN-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132024;MM132024;CC(CC=O)C(C)(C)C;LEBVLOLOVGHEFE-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132025;MM132025;CC(CC#N)C(C)(C)C;INIVSIWQEQEWLR-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132026;MM132026;C=CCC(N)C(C)(C)C;JZTYGEFGPDWVAC-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132027;MM132027;CC(C)(C)C(O)CC#N;GGKHCZSNYKPZMQ-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132028;MM132028;C=CCC(C)C(C)(C)N;OKQCEVIYHYCHRE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132029;MM132029;C=CCC(F)C(C)(C)N;SUVQTFNIWQKBMS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132030;MM132030;CNC=C(C)C(=O)NC=N;DHZVYWOCRWCIKT-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132031;MM132031;CC(CC=O)C(C)(C)O;MKKJRNMXDYEMIF-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132032;MM132032;CC(CC#N)C(C)(C)O;QVZPMBNNJFPMND-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132033;MM132033;CC(C)(O)C(O)CC=O;SIBVVDHXFPINCX-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132034;MM132034;CC(C)(O)C(O)CC#N;WCVKZSDKYZXYHU-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132035;MM132035;C=CCC(F)C(C)(C)O;GTDKTNSMCCBDKI-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132036;MM132036;C=CCC(C)C(C)(C)F;COUWZOSNGZRYBW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132037;MM132037;CC(CC=O)C(C)(C)F;IPOBGWISRYCLTO-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132038;MM132038;CC(CC#N)C(C)(C)F;GTWPRAWPFOUOOK-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132039;MM132039;C=CCC(N)C(C)(C)F;DMFDGDYMPQQLKX-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132040;MM132040;CC(C)(F)C(O)CC#N;UFQUHLIFADXSBN-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132041;MM132041;CC(CC=O)C(C)(F)F;MHKFRPUIGOHRHM-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132042;MM132042;CC(F)(F)C(F)CC#N;RIINVZUXTKJHCS-UHFFFAOYSA-N;137.1;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132043;MM132043;CC(CC=O)C(F)(F)F;XPSIVWGPYKWZDL-UHFFFAOYSA-N;140.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132044;MM132044;O=CCC(O)C(F)(F)F;LMXQZMBVKYXFJJ-UHFFFAOYSA-N;142.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132045;MM132045;N#CCC(F)C(F)(F)F;RNPBHSVPUWMAPC-UHFFFAOYSA-N;141.07;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132046;MM132046;CC(NC=N)C(C)(C)C;NKTJXWXWDARKBU-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132047;MM132047;C#CC=C(C)C(=O)NC=N;QVPBQCCZOSNFFM-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132048;MM132048;CC(NC=N)C(C)(C)N;OABFLPDLGIBRLV-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132049;MM132049;CC(NC=O)C(C)(C)N;NYWSOUUXXCWBBS-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132050;MM132050;CC(NC=N)C(C)(C)O;DSTIBXCKIGLJRM-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132051;MM132051;CC(NC=N)C(C)(C)F;QAJPYYZNUUAJFM-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132052;MM132052;C=COC(C)C(C)(C)C;FWLGYSGTHHKRMZ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132053;MM132053;CC(OC=O)C(C)(C)O;HVZRSEBWCOGCBD-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132054;MM132054;C=NOC(C)C(C)(C)C;BMFDVEBPAMCEGY-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132055;MM132055;CC(=O)N(N)C(=NO)NN;QASGFFUEYVJJSA-UHFFFAOYSA-N;147.14;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132056;MM132056;C=CCN(C)C(C)(C)C;UKPYKETZRKSUPK-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132057;MM132057;CN(CC#N)C(C)(C)C;CBKXXKTUGZWUJR-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132058;MM132058;CN(NC=N)C(C)(C)C;MQJBGPBVLOBBAI-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132059;MM132059;C#CCC(C)C(C)(C)C;GPHVJZOSZWPDIK-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132060;MM132060;C#CCC(N)C(C)(C)C;DZQNMIZTBYBLJC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132061;MM132061;C#CCC(C)C(C)(C)N;BJMKFCPWLWHBAF-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132062;MM132062;N#CC1(O)CNC(C=O)C1;SDYPAAXNFGMDPO-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132063;MM132063;C#CCC(F)C(C)(C)O;SDJXIZMGMOVUNA-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132064;MM132064;C#CCC(C)C(C)(C)F;JPXDBIGNVQPIGP-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132065;MM132065;C#CCC(N)C(C)(C)F;QQFCEAIPKAYSQV-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132066;MM132066;C#CCC(O)C(C)(C)F;XFJJNAQTDQJGFQ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132067;MM132067;C#CCC(C)C(C)(F)F;ZNLSPQMWRWORJX-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132068;MM132068;C#CCC(O)C(F)(F)F;AXKNZQYVSJHTGO-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132069;MM132069;C#CCN(C)C(C)(C)C;RZFSEGMQLZJLHN-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132070;MM132070;C=C(CCC)C(C)(C)C;FMOGXTMJWIOUAL-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132071;MM132071;C=C(CCN)C(C)(C)C;NBSBWRHGYRRNKH-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132072;MM132072;C#CCCN(N)C(C)=NO;LBTPZLHMROIEPG-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132073;MM132073;C=C(CCF)C(C)(C)C;DDYMPVDEFGOFFH-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132074;MM132074;CCCC(=O)C(C)(C)C;PYCHXHVFOZBVEY-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132075;MM132075;CC(C)(C)C(=O)CCF;GEVHFTHREUHPOJ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132076;MM132076;C=C(CCC)C(C)(C)N;WTXXYIWAIHYKNH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132077;MM132077;C=C(CCO)C(C)(C)N;XPOZUXOXCQVUHJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132078;MM132078;C=C(CCF)C(C)(C)N;NTKNHGSNBRRMPS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132079;MM132079;CNC(=O)NN=CC=NN;MBZKFKZAADCKNI-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132080;MM132080;C=C(CCN)C(C)(C)O;NGBYUPZISWCONI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132081;MM132081;C=C(CCO)C(C)(C)O;CFKNRRWUEPUPRT-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132082;MM132082;C=C(CCF)C(C)(C)O;YMRGHNOPALXZQH-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132083;MM132083;C=C(CCC)C(C)(C)F;YHBFSQZWRNETCA-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132084;MM132084;CC(C)(F)C(=O)CCF;LFIYXQYOYQSCRC-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132085;MM132085;C=C(CCC)C(C)(F)F;VIFLWJLRRRGNSU-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132086;MM132086;CCCC(=O)C(C)(F)F;JEQCPLBLLPABFP-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132087;MM132087;CC(F)(F)C(=O)CCF;QPPXOEVJWFTIRP-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132088;MM132088;O=C(CCF)C(F)(F)F;PPSXWSUKSJNRGF-UHFFFAOYSA-N;144.07;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132089;MM132089;C=C(CNC)C(C)(C)C;BRIFKIZDEZFKSM-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132090;MM132090;CNCC(=O)C(C)(C)C;LNRRSAKKUZXZDX-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132091;MM132091;C=C(COC)C(C)(C)C;ADPLTDMYEAEZCR-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132092;MM132092;COCC(=O)C(C)(C)C;YZSAZJVRYZKHLX-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132093;MM132093;C=C(COC)C(C)(C)N;FCWRNTSQDXMEBM-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132094;MM132094;C=C(COC)C(C)(C)O;YNNCDRLFDBAYTQ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132095;MM132095;COCC(=O)C(F)(F)F;VFHWOFWWKNIJIX-UHFFFAOYSA-N;142.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132096;MM132096;CCNC(=N)C(C)(C)C;LCOUEJWPERYWJP-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132097;MM132097;C=NNC(CF)C(O)C#N;ITLAGDNWBRVURU-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132098;MM132098;CCNC(=O)C(C)(C)N;IQWONILGYUSUBD-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132099;MM132099;CCNC(=N)C(C)(C)F;DVLQSWSTLNRUSC-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132100;MM132100;CCNC(=O)C(C)(C)F;AWWMENOHAJXAAV-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132101;MM132101;CCNC(=O)C(C)(F)F;JGMXIDUPYHHBSG-UHFFFAOYSA-N;137.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132102;MM132102;CNNC(=N)C(C)(C)N;NDUBPBPSAJBAOH-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132103;MM132103;CNNC(=N)C(C)(C)O;OSVCECPVJFTVOR-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132104;MM132104;C=NOC(C=O)C(=O)NC;KUSONUGXSZHBJT-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132105;MM132105;CNNC(=O)C(C)(C)F;JGVPAOKJEMNFPR-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132106;MM132106;CNN(C=O)C(=NO)NN;QDVXNWJCHPCWIW-UHFFFAOYSA-N;147.14;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132107;MM132107;CONC(=N)C(C)(C)C;QYYSTYOOIWFDGU-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132108;MM132108;COc1n[nH]c(C)c1O;WJLFMWRGJBWMPG-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132109;MM132109;CCOC(=O)C(C)(C)C;HHEIMYAXCOIQCJ-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132110;MM132110;C=C(OCC)C(C)(C)N;XMSISMITVHEBAX-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132111;MM132111;C=C(OCC)C(C)(C)O;OBEOASSUECHNMM-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132112;MM132112;CCOC(=O)C(C)(C)O;GFUIDHWFLMPAGY-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132113;MM132113;CCOC(=O)C(C)(C)F;CJRQQJKWNULSFQ-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132114;MM132114;C=C(OCC)C(C)(F)F;CVDOMCMZRIQNQR-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132115;MM132115;CCOC(=O)C(C)(F)F;ISVLDAIKRGXNCZ-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132116;MM132116;CCOC(=O)C(F)(F)F;STSCVKRWJPWALQ-UHFFFAOYSA-N;142.08;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132117;MM132117;C=CCC(=C)C(C)(C)C;QACXARFRCNPYKO-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132118;MM132118;C=C(CC=O)C(C)(C)C;FYARYKBOEHOFSN-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132119;MM132119;C=C(CC#N)C(C)(C)C;CSAMNELCQWUGBU-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132120;MM132120;C=CCC(=O)C(C)(C)C;SWKBETVLWVHZIB-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132121;MM132121;C=CCC(=C)C(C)(C)N;SDOSKTLUHHWGFF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132122;MM132122;C#CCCNC(C#C)=NO;WHFJSQJTBGHBTL-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132123;MM132123;C=C(CC=O)C(C)(C)O;ALXAIJBTZIKAJA-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132124;MM132124;C=C(CC#N)C(C)(C)O;QDRRJOXXTRLQAE-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132125;MM132125;C=CCC(=C)C(C)(C)F;PILFDGHGIMWRDA-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132126;MM132126;C=C(CC=O)C(C)(C)F;LKUGJYNSPXXHAZ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132127;MM132127;C=C(CC#N)C(C)(C)F;SFPFLCPGOQHILJ-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132128;MM132128;C=CCC(=O)C(C)(C)F;ZJOMLFHMHKRAQW-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132129;MM132129;C=C(CC=O)C(F)(F)F;GECSOHWDIWKMKJ-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132130;MM132130;COC(=NO)C(O)C=NO;WVNMHUYSZZPKJW-UHFFFAOYSA-N;148.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132131;MM132131;N#CCC(=O)C(F)(F)F;RDNQEPVYJCVARF-UHFFFAOYSA-N;137.06;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132132;MM132132;C=C(NC=N)C(C)(C)C;XGTAYOUOLCJGNZ-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132133;MM132133;CC(C)(C)C(=N)NC=N;OLAFDZGTWBIPAK-UHFFFAOYSA-N;127.19;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132134;MM132134;C=CNC(=O)C(C)(C)C;YCNGXYJBOOVPRO-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132135;MM132135;C=CNC(=N)C(C)(C)N;WRWZXHQAWHJHJQ-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132136;MM132136;CC(C)(N)C(=N)NC=N;WDBMRANMMVEDQV-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132137;MM132137;CC(C)(N)C(=O)NC=N;WZDWOJLJSFZFOW-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132138;MM132138;CC(C)(O)C(=N)NC=N;LYBVGNYEIKAXKP-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132139;MM132139;CC(C)(O)C(=N)NC=O;IAFPDDQDOAQZAH-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132140;MM132140;CC(C)(O)C(=O)NC=O;TWUSHGVOWCQJJU-UHFFFAOYSA-N;131.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132141;MM132141;C=C(NC=N)C(C)(C)F;AONQOUVQSIKLKE-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132142;MM132142;C=C(NC=O)C(C)(C)F;QRPRWDJINLSKCM-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132143;MM132143;CC(C)(F)C(=N)NC=O;ATUXRZTWGATFRS-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132144;MM132144;C=CNC(=O)C(C)(C)F;LRBBVMQRZMGFMN-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132145;MM132145;CC(C)(F)C(=O)NC=N;LFEZHBMPIMPLIB-UHFFFAOYSA-N;132.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132146;MM132146;C=CNC(=O)C(F)(F)F;UOXMJKDGJMTPSI-UHFFFAOYSA-N;139.08;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132147;MM132147;C=CCC=CC(CC)=NO;UXGLKGGAQHUWSJ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132148;MM132148;C#CCN(O)C(=NO)NN;UHBYXWVUJXUMPE-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132149;MM132149;C=NNC(=O)C(C)(C)F;YFWPUFLEAOEPLN-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132150;MM132150;C=COC(=C)C(C)(C)C;OIFLEGHBSYLOJU-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132151;MM132151;C=COC(=O)C(C)(C)C;YCUBDDIKWLELPD-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132152;MM132152;C=COC(=C)C(C)(C)O;HJOPCCOUEZSJCK-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132153;MM132153;C=COC(=O)C(C)(C)O;XMDWTZUMJSUCGR-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132154;MM132154;C=COC(=C)C(C)(C)F;TWMXUMWKQZYSID-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132155;MM132155;C=COC(=O)C(C)(C)F;BKZFWBZJRCTZAD-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132156;MM132156;C=COC(=C)C(C)(F)F;AFIVPTNCNGCNLB-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132157;MM132157;C=COC(=O)C(C)(F)F;GNKPVMDYJCLOQB-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132158;MM132158;C=COC(=C)C(F)(F)F;PPLUWWOTQRHUAS-UHFFFAOYSA-N;138.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132159;MM132159;C=COC(=O)C(F)(F)F;ZBGRMWIREQJHPK-UHFFFAOYSA-N;140.06;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132160;MM132160;C=NOC(=O)C(C)(C)C;PKYWSQCQCYKSAA-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132161;MM132161;C=NOC(=O)C(C)(C)F;VAZUBBHYWFYTAA-UHFFFAOYSA-N;133.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132162;MM132162;C=NOC(=O)C(F)(F)F;OUDLZBSVUKKRHC-UHFFFAOYSA-N;141.05;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132163;MM132163;C#CCC(=C)C(C)(C)C;MKSJCZHPIXLTLV-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132164;MM132164;C#CCC(=O)C(C)(C)C;BMHHRTRTFJCICA-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132165;MM132165;C#CCC(=C)C(C)(C)N;AACHKTURVBNJBR-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132166;MM132166;C=CCc1cnc(CO)[nH]1;MFLPICIZCDWSLA-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132167;MM132167;C#CCC(=C)C(C)(C)F;LQLZAFSAPQUHDT-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132168;MM132168;C#CCC(=C)C(C)(F)F;DODVRKKLDCCWFJ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132169;MM132169;CC=CC(C)C(C)(C)C;VBQNXPUFZFWMCZ-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132170;MM132170;CC(C=CF)C(C)(C)C;ATIFRRPWOKSKQG-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132171;MM132171;CC=CC(N)C(C)(C)C;WWKDBAZKARKOCV-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132172;MM132172;N#CCC#CC#CC1CN1;AYYKERHQKAPPMB-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132173;MM132173;CC=CC(F)C(C)(C)C;ZJHJBIXQMIQMKK-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132174;MM132174;CC=CC(C)C(C)(C)N;MGAZUMGXTYLOCZ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132175;MM132175;CC=CC(N)C(C)(C)N;XMCNKOLRMLNGRI-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132176;MM132176;CC=CC(O)C(C)(C)N;RMJLZDJHRJZAFJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132177;MM132177;CC=CC(F)C(C)(C)N;QRCSIHDXMNNFGW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132178;MM132178;CC(C)(N)C(F)C=CF;NAFNNJIZDBAOCU-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132179;MM132179;CCC=CC=NO;VRIMPBIAGNQGBF-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132180;MM132180;CC(C=CF)C(C)(C)O;ANNHAKQOJRCELT-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132181;MM132181;CC=CC(N)C(C)(C)O;FKIQEQRFLGNVQS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132182;MM132182;CC(C)(O)C(N)C=CF;UNPNFSSTSYGWDT-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132183;MM132183;CC=CC(F)C(C)(C)O;MYLUUENKFOKOIN-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132184;MM132184;CC(C)(O)C(F)C=CF;QDTPXMUKDDFCHJ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132185;MM132185;CC=CC(C)C(C)(C)F;FLJHWGHGMRKEKD-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132186;MM132186;CC(C)(F)C(N)C=CF;DJTPRQJGWFPSQT-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132187;MM132187;CC(F)(F)C(O)C=CF;ZGVBCNVXKDZRCS-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132188;MM132188;OC(C=CF)C(F)(F)F;VKXDJAVFIYMSCY-UHFFFAOYSA-N;144.07;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132189;MM132189;CC(C=NN)C(C)(C)C;JNGOCVUPIZFTQH-UHFFFAOYSA-N;128.22;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132190;MM132190;CC(C)(C)C(N)C=NO;ORNYYNAEUCYLBS-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132191;MM132191;NC1=CC(=NO)NC1;DUUSBLCMNNNALF-UHFFFAOYSA-N;113.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132192;MM132192;CC(C)(C)C(O)C=NO;DAJIGYGAJXQSOR-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132193;MM132193;CC1(C)CCC(=NO)N1;DIURCCDNRRVZAB-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132194;MM132194;CC(C=NO)C(C)(C)O;KPPLUXCQGWQNJT-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132195;MM132195;CC(C=NO)C(C)(C)F;BQSSLRIISUTBQY-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132196;MM132196;CC(C=NO)C(C)(F)F;KNXIZZBQZSMKIP-UHFFFAOYSA-N;137.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132197;MM132197;Cc1c(O)n[nH]c1CF;DYCPBKBOCQYWGH-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132198;MM132198;CN=CN(C)C(C)(C)C;JTSCIJOSJASYEB-UHFFFAOYSA-N;128.22;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132199;MM132199;C=NNCC(=O)NC=O;FWHAZHATLCPMMV-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132200;MM132200;NNC(=O)COC=CF;SEHNSHRHUNVVIY-UHFFFAOYSA-N;134.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132201;MM132201;CC(C)(C)N(O)C=NO;GZIYIEKAODNLGK-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132202;MM132202;C=C(C=CC)C(C)(C)C;BKUYWZFLQXSZHU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132203;MM132203;C=C(C=CC)C(C)(C)N;JMBNXKMYJLDGQT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132204;MM132204;C=C(C=CF)C(C)(C)N;RSQVBBLRRTUBEU-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132205;MM132205;CCOC(=NO)N(C)C;NMMDTFJFERQCFR-UHFFFAOYSA-N;132.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132206;MM132206;C=C(C=CF)C(C)(C)O;IMAGXYDPHGJZAZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132207;MM132207;C=C(C=CC)C(C)(C)F;ADXJISZAHXYDPL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132208;MM132208;C=C(C=CF)C(C)(C)F;SIPWITCAJXAMHL-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132209;MM132209;CC(C)(F)C(=O)C=CN;UVYBPMDKXPMKNI-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132210;MM132210;CC(C)(F)C(=O)C=CF;BUYVXNYUZRHCRY-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132211;MM132211;C=C(C=NN)C(C)(C)C;YZNVQNMMLDVYDL-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132212;MM132212;CC1CC(=NO)NC1C;YCCXNSXQHLJLFW-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132213;MM132213;C=C(C=NO)C(C)(C)N;INZTZJVIIWZIJA-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132214;MM132214;N#CC1(O)CC2CN2C1;LGCAPHXQIGDVFJ-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132215;MM132215;Nn1oc(=O)c(O)c1O;OSHGCQCXINBHPC-UHFFFAOYSA-N;132.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132216;MM132216;CC#CC(C)C(C)(C)C;LLDWAQRYPGBLSY-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132217;MM132217;CC#CC(N)C(C)(C)C;DHFZBABYIUNADA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132218;MM132218;CC#CC(O)C(C)(C)C;TVLPCDYECVIEHB-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132219;MM132219;CC#CC(F)C(C)(C)C;OYOVBYMWXVDNPO-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132220;MM132220;CC#CC(C)C(C)(C)N;SHIBRGKHQQIJKR-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132221;MM132221;CC#CC(O)C(C)(C)N;RKZLOUWTJVTQRJ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132222;MM132222;CC#CC(F)C(C)(C)N;XNNUFDJARWZLKJ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132223;MM132223;CC#CC(O)C(C)(C)O;TYQWHDVMJWOYBE-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132224;MM132224;CC#CC(F)C(C)(C)O;DKLDXFPMCISDAF-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132225;MM132225;CC#CC(C)C(C)(C)F;YOXBSHKUVSCWKX-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132226;MM132226;CC#CC(O)C(C)(C)F;DZWDSEJHMNDRBS-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132227;MM132227;CC#CC(F)C(C)(C)F;FDAIIVHJECFXNM-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132228;MM132228;CC#CC(C)C(C)(F)F;MJXWKVXJWIFYHE-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132229;MM132229;CC#CC(O)C(C)(F)F;APEWRNNEBBRHGS-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132230;MM132230;CC#CC(C)C(F)(F)F;RMILFMBWNHZWTM-UHFFFAOYSA-N;136.12;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132231;MM132231;C=CCCC(C=C)=NO;AWJGOHXYEHGMIE-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132232;MM132232;CC#CC(O)C(F)(F)F;YKQIDWBRASLAMV-UHFFFAOYSA-N;138.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132233;MM132233;C=C(C#CC)C(C)(C)C;CDGRXKLNRJHTRL-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132234;MM132234;CC#CC(=O)C(C)(C)C;UDGLAQDRKQGIKX-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132235;MM132235;C=C(C#CC)C(C)(C)N;MNZXTGFGGVZJRM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132236;MM132236;N#CC1CNC(CF)=N1;OEJGYUYZBRGAHF-UHFFFAOYSA-N;127.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132237;MM132237;C=C(C#CC)C(C)(C)F;ZHXKYKWNKRYMCD-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132238;MM132238;CC#CC(=O)C(C)(C)F;ODBGNRSAYSMJLI-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132239;MM132239;C=C(C#CC)C(C)(F)F;BXLWMZYRWCCLAO-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132240;MM132240;CC#CC(=O)C(C)(F)F;YBSKBHXNDMMXBA-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132241;MM132241;C=C(C#CC)C(F)(F)F;SGISCHHAEORLRN-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132242;MM132242;CC#CC(=O)C(F)(F)F;ASZBJYKQECNHEN-UHFFFAOYSA-N;136.07;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132243;MM132243;CCC=C(C)C(C)(C)C;GEWYIHRHOZOZPM-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132244;MM132244;CC(=CCN)C(C)(C)C;KZLBMASUXUWKCU-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132245;MM132245;CC(=CCO)C(C)(C)C;RXYHZISPKULRHT-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132246;MM132246;CCC=C(F)C(C)(C)C;BQDGHUYHDIKVFD-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132247;MM132247;CC(C)(C)C(F)=CCN;JJEFJAAEBKBSCJ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132248;MM132248;CC(C)(C)C(F)=CCO;IAGOQSWXLJAKFT-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132249;MM132249;CC(C)(C)C(F)=CCF;DFOTVCKVJYZHNW-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132250;MM132250;CCC=C(C)C(C)(C)N;PMALREOIYUAATR-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132251;MM132251;CC(=CCN)C(C)(C)N;KZAJZVWLBOCXPG-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132252;MM132252;CC(=CCO)C(C)(C)N;DKWWMZOATKLPFV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132253;MM132253;CC(=CCF)C(C)(C)N;KVBKPYBSTIBDKT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132254;MM132254;CCC=C(F)C(C)(C)N;GNVMQSFTLMKRQX-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132255;MM132255;CC(C)(N)C(F)=CCF;XISIRDCHXNDPGV-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132256;MM132256;C#CC(=NO)NC1CC1;JXRVUYGQBGCWHU-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132257;MM132257;CC(=CCN)C(C)(C)O;YHDHRUZDVJYCJX-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132258;MM132258;CC(=CCO)C(C)(C)O;IGJDEISSQVINKR-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132259;MM132259;CC(=CCF)C(C)(C)O;DCUOXMRTLKKSQK-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132260;MM132260;CC(C)(O)C(F)=CCF;PWKVNLGUSZTASO-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132261;MM132261;CCC=C(C)C(C)(C)F;GSQNUUNKBPJUFB-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132262;MM132262;CC(C)(F)C(F)=CCN;QFSXOXAWTOHTKY-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132263;MM132263;CC(C)(F)C(F)=CCF;GZTJLQKNIKWFFU-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132264;MM132264;CCC=C(C)C(C)(F)F;QHVJHNVGFHWCDV-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132265;MM132265;CC(=CCN)C(C)(F)F;WEZOOYZHWDVBNR-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132266;MM132266;COC=C(C)C(C)(C)C;RDXOSFIGUGBOOS-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132267;MM132267;COC=C(C)C(C)(C)N;NZKOMLYHYAQQAW-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132268;MM132268;COC=C(F)C(C)(C)N;PDIIIULHDARUEN-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132269;MM132269;COC=C(C)C(C)(C)O;RZGJMJXBDWJVCM-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132270;MM132270;COC=C(F)C(C)(C)O;KBYTVFBGNBJPBJ-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132271;MM132271;COC=C(F)C(C)(C)F;GVSFMIQCIWQKJQ-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132272;MM132272;COC=C(F)C(C)(F)F;RONUXIVWJUBGMQ-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132273;MM132273;COC=C(C)C(F)(F)F;ZLQRZRQUWIHMSM-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132274;MM132274;COC=C(F)C(F)(F)F;LCAHCQBCGGSZTM-UHFFFAOYSA-N;144.07;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132275;MM132275;CNN=C(C)C(C)(C)F;VAJPBFZMICDUSR-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132276;MM132276;C=CC1CN1NC=NO;IKYHBKLXNMXMOW-UHFFFAOYSA-N;127.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132277;MM132277;CON=C(C)C(C)(C)C;RSDBIILYUSBYAT-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132278;MM132278;CNC(CF)C(C)(O)C#N;DGFVGMNVDUGINY-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132279;MM132279;CON=C(C)C(C)(F)F;ZBXOMWKPUTWBFB-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132280;MM132280;C=CC=C(C)C(C)(C)C;NZWWTWGRGIOSDU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132281;MM132281;CC(=CC=O)C(C)(C)C;RJURJJIOVZPPRR-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132282;MM132282;CC(=CC#N)C(C)(C)C;PWILVKJMVVJYDE-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132283;MM132283;CC(C)(C)C(N)=CC=O;QOPSBPLUBJLDJH-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132284;MM132284;CC(C)(C)C(N)=CC#N;DPCUHGFSIXGSIH-UHFFFAOYSA-N;124.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132285;MM132285;C=CC=C(F)C(C)(C)C;CDRXSQPMYWSGFL-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132286;MM132286;CC(C)(C)C(F)=CC=O;XBBJSARCWALRCS-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132287;MM132287;C=CC=C(C)C(C)(C)N;OVQHNJDMDQITDV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132288;MM132288;C=CC=C(F)C(C)(C)N;ZIGXVRVZKZPPEP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132289;MM132289;CC1CC(=NO)NC1(C)C;APUGRVZPAQUFNO-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132290;MM132290;CC(=CC=O)C(C)(C)O;QXANLPCWJKKTFC-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132291;MM132291;CC(=CC#N)C(C)(C)O;MACLBEYJMXDALB-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132292;MM132292;CC(C)(O)C(N)=CC=O;PHTAQJITLIWQCM-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132293;MM132293;C=CC=C(F)C(C)(C)O;OZVZNUDBQMONID-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132294;MM132294;CC(C)(O)C(F)=CC=O;GUFVZPIZVCRAQL-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132295;MM132295;CC(C)(O)C(F)=CC#N;AWYLRBHZSODYCW-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132296;MM132296;C=CC=C(C)C(C)(C)F;AXPOGTYTSLZJFM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132297;MM132297;CC(=CC=O)C(C)(C)F;TYCNCZLALSCVLR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132298;MM132298;CC(=CC#N)C(C)(C)F;PPVFWQFBNPSHCU-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132299;MM132299;CC(C)(F)C(N)=CC=O;YPFRUJFDTVGNJK-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132300;MM132300;CC(C)(F)C(N)=CC#N;YMVKPEZPFJFSOM-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132301;MM132301;C=CC=C(F)C(C)(C)F;AGXCWGSJIBMHQO-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132302;MM132302;C=CC=C(C)C(C)(F)F;XKWMFXVRQNZVFX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132303;MM132303;CC(=CC=O)C(C)(F)F;KWWVVGMZWOJQDQ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132304;MM132304;CC(F)(F)C(F)=CC=O;SBARNZKAVSBYDS-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132305;MM132305;CC(F)(F)C(F)=CC#N;XLUSJPSCDKUOPA-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132306;MM132306;CC(=CC=O)C(F)(F)F;TYPUHMRUAGTZDD-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132307;MM132307;NC(=CC=O)C(F)(F)F;BXXQEXUTNMMEPX-UHFFFAOYSA-N;139.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132308;MM132308;C=NN=C(C)C(C)(C)C;VDTBBWWUBXXRRM-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132309;MM132309;C=NN=C(C)C(C)(C)N;RGFHVQDUAZLLGD-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132310;MM132310;C=NN=C(C)C(C)(C)O;FJZUMMYUNXYARC-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132311;MM132311;C=NN=C(C)C(C)(C)F;DYNFTOZYPKPSIN-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132312;MM132312;C#CC=C(C)C(C)(C)C;PJJSVZHQSXHAAU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132313;MM132313;C#CC=C(F)C(C)(C)C;PVNTWROOEQMACW-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132314;MM132314;C#CC=C(C)C(C)(C)N;ICOZJYMXEIQJHW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132315;MM132315;C#CC=C(F)C(C)(C)N;BHSPDCMJRARUGJ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132316;MM132316;NN(C=O)CC(=O)NC=O;BPESMNZCRYVLJD-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132317;MM132317;C#CC=C(F)C(C)(C)O;GZXPLDJMQWZMPQ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132318;MM132318;C#CC=C(C)C(C)(C)F;ZSTUUGQFWNQOCP-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132319;MM132319;C#CC=C(F)C(C)(C)F;MNZQZKVRNMISAZ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132320;MM132320;CC(C)(CCN)CCN;VWZRPXFKQDWXMN-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132321;MM132321;N=CNC(=O)C=C(N)C=O;JSUSWNWNEBNANZ-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132322;MM132322;CCCC(C)(N)CCF;FDRCYKSBZMDPNG-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132323;MM132323;CCCC(C)(O)CCN;HGDVIHGAFYODQM-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132324;MM132324;CCCC(C)(O)CCO;RPMYTAWDAZFCBO-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132325;MM132325;CCCC(C)(O)CCF;SRAVBOFHDCXGDQ-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132326;MM132326;CC(O)(CCF)CCF;ZPBUAMGGQFISSZ-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132327;MM132327;CCCC(C)(F)CCN;YZMYPVLBTIPKCD-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132328;MM132328;CCCC(C)(F)CCO;JFEZYCLKGSOHEI-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132329;MM132329;CCCC(C)(F)CCF;TXDFFVBTXQVMCS-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132330;MM132330;CC(F)(CCN)CCF;BCKKZEZIJZPUSF-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132331;MM132331;CC(F)(CCO)CCF;YTRHVBYXCRFLGY-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132332;MM132332;CC(F)(CCF)CCF;LIDLBOLHFOWWKR-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132333;MM132333;CCCC(F)(F)CCC;FDZUPHXVDHGJQR-UHFFFAOYSA-N;136.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132334;MM132334;CCCC(F)(F)CCF;GJSGBFFIJUTUJH-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132335;MM132335;NCCC(F)(F)CCN;AZMSHPPEXZNNES-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132336;MM132336;FCCC(F)(F)CCF;ZBPVTGWIDNCFNN-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132337;MM132337;CCCC(C)(C)CNC;SWBFXOCQTALIGA-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132338;MM132338;CNCC(C)(C)CCF;HKOCEXSCAQJWQP-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132339;MM132339;CCCC(C)(F)CNC;OBHRETLZMHXSDB-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132340;MM132340;CNCC(F)(F)CCN;VNJOMJDOESOCAU-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132341;MM132341;CCCC(C)(N)COC;LBRACMJYHLUHRU-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132342;MM132342;COCC(C)(N)CCO;OSKKFJANHDTOGL-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132343;MM132343;COCC(C)(O)CCN;RPQNGLQBPSEJBL-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132344;MM132344;COCC(C)(O)CCO;NZODOSMFOYBFRJ-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132345;MM132345;COCC(F)(F)CCO;AWDHHAAXUHNTNY-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132346;MM132346;CNCC(C)(N)COC;PTUYFNQCDSSRIJ-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132347;MM132347;CCCC(C)(C)NCC;AKUIMGPTUIMZNH-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132348;MM132348;CCNC(C)(C)CCN;RTHPUFIOGJLOQA-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132349;MM132349;CCNC(C)(C)CCO;PQZMBNBVQCJGJA-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132350;MM132350;CCCC(C)(C)CC=O;IHEORNQYISDNQZ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132351;MM132351;C=CCC(C)(C)CCN;SOMWBVUTEYDMDH-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132352;MM132352;CC=NNCC(=O)NC=O;MBPLVFMZHRWZLN-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132353;MM132353;C=CC(=NO)C(=N)N(C)O;HQLFTKLOWRVDHO-UHFFFAOYSA-N;143.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132354;MM132354;CC(C)(CC=O)CCF;WODDGAHRLPCLKV-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132355;MM132355;C=CCC(C)(N)CCO;QPBRCUNXGBRDLV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132356;MM132356;C=CCC(C)(N)CCF;PXKRRXXZYKMGGN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132357;MM132357;C#CC1NC1C(C)(O)C#N;RYPCTPHBZRWLSI-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132358;MM132358;CCCC(C)(O)CC=O;IFLNIJSXXQABMY-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132359;MM132359;CC(O)(CC#N)CCO;RLUNXOOTUPCUEU-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132360;MM132360;CCCC(C)(F)CC=O;YCXLUXJIVFSPGR-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132361;MM132361;CCCC(C)(F)CC#N;FKZRNIXQBFZOLW-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132362;MM132362;C=CCC(C)(F)CCN;IDLKFNRHKCIVRA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132363;MM132363;C=CCC(C)(F)CCO;LFHOEYMZTNRCEL-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132364;MM132364;C=CCC(C)(F)CCF;QUAGAZUFBCWTMF-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132365;MM132365;C=CCC(F)(F)CCC;AAVCSMHKYUPHCA-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132366;MM132366;CCCC(F)(F)CC=O;VHBCZTOUEPWTDP-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132367;MM132367;C=CCC(F)(F)CCO;QMDBHNJXZCQTEY-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132368;MM132368;N#CCC(F)(F)CCO;WFKZVJFAIOYULG-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132369;MM132369;C=CCC(F)(F)CCF;HETJYKLEYQSPBH-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132370;MM132370;O=CCC(F)(F)CCF;GPKOICYXBDUNPW-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132371;MM132371;C=CCC(C)(C)CNC;TWAWSPWGQDAFLT-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132372;MM132372;CNCC(C)(C)CC=O;OGYUGZYYJBAPPH-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132373;MM132373;CNCC(C)(C)CC#N;ZNRWTKVIDSVAFY-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132374;MM132374;CNCC(C)(O)CC#N;XLIDEAUKQVDNBH-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132375;MM132375;C=CCC(C)(F)CNC;RWKTWJRBVXGGEB-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132376;MM132376;COCC(C)(C)CC=O;RYLKEZKGJICDKO-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132377;MM132377;COCC(F)(F)CC#N;KLLUNCQQKFAANM-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132378;MM132378;CCCC(C)(C)NC=N;UEZZZVKGCOUFQD-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132379;MM132379;CN=CNC(=O)NCCF;TZDDPBKYTVQVGM-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132380;MM132380;CC(C)(CCN)NC=N;PCLJAVUAFUCTDX-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132381;MM132381;CC(C)(CCN)NC=O;SBCCBGLIQXXRDM-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132382;MM132382;CC(C)(CCO)NC=N;DMTKERDHAZLXHK-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132383;MM132383;CC(C)(CCO)NC=O;VBKQVJAHPXGKOX-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132384;MM132384;C=NNC(C)(C)CCC;LWOPTSRBOYLDGT-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132385;MM132385;C=NNC(C)(C)CCF;QJMVIVWGAJWEMU-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132386;MM132386;CN(OCCF)C(=O)NN;IOIJHOCAUJSVGK-UHFFFAOYSA-N;151.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132387;MM132387;CC(C)(CCO)OC=O;YFAVZZQKCNPSQR-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132388;MM132388;C=NOC(C)(C)CCN;KQBVQZHYWIGSLC-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132389;MM132389;C=NOC(C)(C)CCF;WZEWAMGHJUSESS-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132390;MM132390;C=CCC(C)(C)NCC;RLTMXMXLXYNYJR-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132391;MM132391;CCNC(C)(C)CC=O;MOGJCWVMRWNHHQ-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132392;MM132392;C#CCC(C)(F)CCN;ZNLOSIYRBMMURC-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132393;MM132393;C#CCC(C)(F)CCO;ZZONGZGFCUCBLX-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132394;MM132394;C#CCC(F)(F)CCC;LVYRHWNKXAHULB-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132395;MM132395;C#CCC(F)(F)CCN;MCMDMYGPARUORF-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132396;MM132396;C#CCC(F)(F)CCO;RMMLQYVLNYPBBI-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132397;MM132397;C#CCC(F)(F)CCF;VEUFEPWCJSKLCP-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132398;MM132398;C#CCC(C)(C)CNC;BGSQOHIYLOZVBP-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132399;MM132399;C#CCC(C)(C)COC;MNGNJUZYGXWPFX-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132400;MM132400;C#CCC(C)(O)COC;SIXDULNCOAJNMF-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132401;MM132401;C#CCC(C)(C)NCC;JSBDNCHTYXSFTQ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132402;MM132402;C=CCC(C)(C)CC=O;KJQUCRKOALWQCH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132403;MM132403;CC(C)(CC=O)CC=O;GWPHNGLSXDOEKS-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132404;MM132404;CC(C)(CC#N)CC=O;MFKIIHSLKGJMRI-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132405;MM132405;CC(O)(CC=O)CC=O;LCYUZYBDSOGPJQ-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132406;MM132406;C=CCC(F)(F)CC=C;LNQIWCMXMVEBRL-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132407;MM132407;C=CCC(F)(F)CC=O;CKLFMNOSMWUINA-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132408;MM132408;C=CCC(C)(C)NC=N;OGALPDYJJDHVCF-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132409;MM132409;CCNNC(=O)N(N)C=O;REPICWVQBPKDGY-UHFFFAOYSA-N;146.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132410;MM132410;C=CCC(C)(C)OC=O;HPWDKAMGVDUUOL-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132411;MM132411;C=COC(C)(C)CC=O;KVUQUUUGLIFTFN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132412;MM132412;CC(C)(CC=O)OC=O;OJLWAQQRQNWQAV-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132413;MM132413;CC(C)(CC#N)OC=O;ABHAYMIYXAEESV-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132414;MM132414;C=CCC=C(C)C(C)=NO;DCZXEYBPTFARGY-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132415;MM132415;C=NOC(C)(C)OC=O;ZTKFHJKWEMIONG-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132416;MM132416;C=NOC(C)(C)ON=C;RDKQWNRNEZBHHI-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132417;MM132417;C#CCC(C)(C)CC=C;UGUCRFWLEPSYGD-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132418;MM132418;C#CCC(C)(C)CC=O;JILARLFBIYSFHJ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132419;MM132419;C#CCC(C)(C)CC#N;QOTCBZMWSRSKPA-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132420;MM132420;C#CCC(C)(O)CC#N;QZPYPKJNWUGSBG-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132421;MM132421;C#CCC(F)(F)CC=C;JNRMHPFONPVFSH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132422;MM132422;C#CCC(F)(F)CC=O;XYIGIBSERXOGHU-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132423;MM132423;C#CCC(C)(C)NC=N;SEECULAYCZASLX-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132424;MM132424;CC=C(C)CC=CC=NO;YYWFWPCZDXPEPQ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132425;MM132425;C#CCC(C)(C)NN=C;GWTVOVGBCXPNQN-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132426;MM132426;C#CCC(C)(C)OC=C;JDQCBRUTHAVERU-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132427;MM132427;C#CCC(C)(C)OC=O;SLDZHTFJBKOIIF-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132428;MM132428;C#CCC(C)(C)ON=C;SSOGIBYFBTYQCZ-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132429;MM132429;C#CCC(C)(C)CC#C;CDQBIWFUOSRDAK-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132430;MM132430;CC=CC(C)(C)CCC;FXGYQSDFKDYNFQ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132431;MM132431;CC(C)(C=CF)CCN;QUFNWPCSBLZNID-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132432;MM132432;N=CN(NC=O)C(=N)C=O;LYAKWIYCIFXUET-UHFFFAOYSA-N;142.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132433;MM132433;CC=CC(C)(N)CCC;FRCQWQIWTUFUBA-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132434;MM132434;CCCC(C)(N)C=CF;CVBXYZUEJTWDQP-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132435;MM132435;CC=CC(C)(N)CCF;NMBHFWWZRPJWRE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132436;MM132436;CC(N)(C=CF)CCF;BPBJLJGPVCCJQN-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132437;MM132437;CCCC(C)(O)C=CF;JPHIHRSSFLNFFH-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132438;MM132438;CC=CC(C)(O)CCF;RQCMQPNUMADYET-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132439;MM132439;CC(O)(C=CF)CCF;INBBCNXILWJPTF-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132440;MM132440;CC=CC(C)(F)CCN;UNGAWHPRSTWNQA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132441;MM132441;CC(F)(C=CF)CCN;XSSJNXNVRDEZJX-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132442;MM132442;CC=CC(C)(F)CCF;NYGWRSUHWQCGKD-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132443;MM132443;CCCC(F)(F)C=CF;XHGBNDGZXYWNSD-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132444;MM132444;CC=CC(F)(F)CCN;SVUNNPSOGQISBH-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132445;MM132445;NCCC(F)(F)C=CF;RIVVEAICHZWZEK-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132446;MM132446;FC=CC(F)(F)CCF;VOFPHRPAJMJNJA-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132447;MM132447;CCCC(C)(C)C=NO;LNLOTMFTGPRANI-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132448;MM132448;CC1C2CC(O)(C#N)CN12;FEMYNKWPWHDZLI-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132449;MM132449;CC(C)(C=NO)CCO;SWXQPWKZWFKRSC-UHFFFAOYSA-N;131.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132450;MM132450;CC(C)(C=NN)CCF;MVHZJPBZXZGNSY-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132451;MM132451;CCCC(C)(N)C=NO;ZJZJBHVINUNOSZ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132452;MM132452;NN=CONC(=NO)NN;QPZQJGOJZOHDFM-UHFFFAOYSA-N;148.13;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132453;MM132453;C#CCN(N)C(=NO)NO;BWEMPKJVRQACEC-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132454;MM132454;CCCC(C)(F)C=NN;AOBQHCADAQEIBW-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132455;MM132455;CCCC(F)(F)C=NN;FJQCDAODUMOCGI-UHFFFAOYSA-N;136.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132456;MM132456;CC=CC(C)(C)CNC;DDUQWJZOTRJYBB-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132457;MM132457;CNCC(C)(C)C=CF;DSLAVYJFNITHLX-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132458;MM132458;CC=CC(C)(N)CNC;DDZQQKRIHHQBMN-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132459;MM132459;CNCC(C)(N)C=CF;LWFBYYLTDKXAFF-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132460;MM132460;CC=CC(C)(F)CNC;OXXKFCSXPJGVOX-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132461;MM132461;CNCC(C)(C)C=NO;BIZMLMLVPGAJLB-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132462;MM132462;NNC(=NO)N(N)C=CF;IPJIDOCCYLWNGC-UHFFFAOYSA-N;149.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132463;MM132463;CCNC(C)(C)C=CF;YUUDUHGSVGHHTK-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132464;MM132464;CCNC(C)(C)C=NO;MQQKAUXCBVICQQ-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132465;MM132465;CC=CC(C)(C)CC=O;LKCRGICLRRWXNN-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132466;MM132466;CC=CC(C)(C)CC#N;ZAKPASZBSCKDLF-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132467;MM132467;CC(C)(C=CF)CC=O;JIQNRGUYRXBXIP-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132468;MM132468;C=CCC(C)(N)C=CF;MLGVUQYRNVKGJM-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132469;MM132469;C=CCC(C)(O)C=CF;PWYAVOSVFQSYHR-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132470;MM132470;CC=CC(C)(O)CC=O;VKIQEGSDTVSHAS-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132471;MM132471;CC(O)(C=CF)CC=O;ULYGXAIGCMMZDW-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132472;MM132472;CC=CC(C)(F)CC=O;OUNYYGODCICEST-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132473;MM132473;CC(F)(C=CF)CC=O;ZSYNSRGUFMZTBT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132474;MM132474;C=CCC(F)(F)C=CF;TUTNHARSUAFKOM-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132475;MM132475;CC(C)(C=NO)CC=O;QMTKQFLVZSPHMS-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132476;MM132476;C=CCC(C)(N)C=NO;FMIPFJXHHCHCGC-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132477;MM132477;C=CCC(F)(F)C=NN;YZWKNBICKVESDD-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132478;MM132478;Nn1c(F)c(F)[nH]c1=O;PQWMRJVQUOANAR-UHFFFAOYSA-N;135.07;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132479;MM132479;N=c1ncn(O)c(F)c1O;GTPDTMMPAUTGEF-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132480;MM132480;CC=CC(C)(C)NC=N;CYXCXDRAONTUDV-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132481;MM132481;CC(C)(C=CF)NC=N;CQZVDHKUYQHTFM-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132482;MM132482;C=CCC1CNC(=NO)C1;FFMXFUQLMNKCGZ-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132483;MM132483;CC(C)(C=CF)NC=O;ZXWKEHCCISSNPI-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132484;MM132484;CC(C)(C=NO)NC=N;MKTQTHNFLPCSGQ-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132485;MM132485;C=CC1=NN=C(NN=C)C1;HUDZAEQCQKKHIO-UHFFFAOYSA-N;136.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132486;MM132486;CC(C)(C=NO)NC=O;MOYCNDAZZHDEOP-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132487;MM132487;C=NNC(C)(C)C=CC;XWDBGKXAZKOPKZ-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132488;MM132488;C=NOC(C)(C)C=CF;PYURVTABDXRZQM-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132489;MM132489;C#CCC(C)(C)C=CC;NVMJUBVOEVRZCV-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132490;MM132490;C#CCC(C)(C)C=NN;ZPPSKGBBHQARML-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132491;MM132491;C#CCC(C)(C)C=NO;KUYFAVFOGWTONM-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132492;MM132492;C=CCc1ncc(CO)[nH]1;LOWIDCQMSOLXPC-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132493;MM132493;CC#CC(C)(C)CCC;VIQJNDDATMJYRT-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132494;MM132494;CC#CC(C)(C)CCN;NUNASZZNLZLYDG-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132495;MM132495;C=CN=CNC=O;NACDEMFHKUIBGQ-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132496;MM132496;CC#CC(C)(C)CCF;YUCPLETXHIFNLD-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132497;MM132497;CC#CC(C)(N)CCC;LOYIMTWGEQPODL-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132498;MM132498;CC#CC(C)(N)CCO;LNMUKAAVEHPNCI-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132499;MM132499;CC#CC(C)(N)CCF;JDPCUFHJEMAXKW-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132500;MM132500;CC#CC(C)(O)CCC;ZGPJPUGCDODKKH-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132501;MM132501;CC#CC(C)(O)CCF;HWZWJUKIMFYZCT-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132502;MM132502;CC#CC(C)(F)CCC;YKMSJKMPSHZNBI-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132503;MM132503;CC#CC(C)(F)CCO;JZNADSIWGSGQLB-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132504;MM132504;CC#CC(C)(C)CNC;PSQRTJWCQRBWAO-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132505;MM132505;CC#CC(C)(C)COC;NTGPEDWMCSVMKK-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132506;MM132506;CC#CC(C)(F)COC;FTJDQPMQQACKOT-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132507;MM132507;CC#CC(C)(C)OCC;RXXYIWAIAJNOHG-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132508;MM132508;C=CCC(C)(C)C#CC;TVWIXYSQROHBLP-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132509;MM132509;CC#CC(C)(C)CC=O;QFZZDLLUDYIGGD-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132510;MM132510;CC#CC(C)(C)CC#N;BLDCTZGFJPKAJP-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132511;MM132511;C=CCC(C)(N)C#CC;UCYFBVJFAURDHU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132512;MM132512;CC#CC(C)(O)CC=O;AMTAWYFLTNZJDD-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132513;MM132513;CC#CC(C)(C)NC=N;WRJXVZSRJWWJIJ-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132514;MM132514;CC#CC(C)(C)NC=O;GOPPMVGIXKGJPI-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132515;MM132515;NN=c1cc(N)[nH]o1;LQYJGIKNOYXMPL-UHFFFAOYSA-N;114.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132516;MM132516;C=COC(C)(C)C#CC;ROCZHAQSWPXEAI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132517;MM132517;C=NOC(C)(C)C#CC;YRRVDAIFFCLKLE-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132518;MM132518;C#CCC(C)(C)C#CC;YWJTUZJBVNJPER-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132519;MM132519;C#CCC(C)(N)C#CC;YVWFUZQUSSUIGO-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132520;MM132520;C#CCC(C)(O)C#CC;OTKZCBLLJZGWOC-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132521;MM132521;CC=CC(C)(C)C=CC;MFRZWCJORLRAHB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132522;MM132522;CC(C)(C=CF)C=CF;DXDXLVAOKIQUMR-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132523;MM132523;CC=CC(C)(N)C=CF;YOEDBCRWJFJBSN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132524;MM132524;CC(N)(C=CF)C=CF;VRUZNVIFJZGUBQ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132525;MM132525;CC(O)(C=CF)C=CF;UBGPVLNTWRWNPS-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132526;MM132526;CC(F)(C=CF)C=CF;OMINKSNZGJCZAT-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132527;MM132527;CC(C)(C=NN)C=NO;MQSYARDEUWYFHO-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132528;MM132528;CC(C)(C=NO)C=NO;DXLXWPQFGQHSLV-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132529;MM132529;N=C1C(F)=CCN1O;HFABJSNLLHOLAK-UHFFFAOYSA-N;116.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132530;MM132530;CC#CC(C)(C)C=CC;AXYYIPYEHLYEED-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132531;MM132531;CC#CC(C)(C)C=CF;WSUJNTUQKOHMDQ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132532;MM132532;CC#CC(C)(O)C=CC;PCORFLCITCSHMI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132533;MM132533;CC#CC(C)(O)C=CF;YRIPYXPQTTVWLO-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132534;MM132534;CC#CC(C)(F)C=CC;XNZQRZGTBXCEHU-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132535;MM132535;CC#CC(C)(C)C=NN;GMHQJXLSKYYIPO-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132536;MM132536;CC#CC(C)(C)C#CC;YLFOHHNCHYEMEI-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132537;MM132537;CC#CC(C)(O)C#CC;ZSVPAIBLFAFJKR-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132538;MM132538;CC#CC(C)(F)C#CC;PMHYGKLUXDLYEP-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132539;MM132539;CC#CC(F)(F)C#CC;DTMTWVIZPGARGV-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132540;MM132540;CCCC(C)(C)C(C)C;DJYSEQMMCZAKGT-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132541;MM132541;CC(C)C(C)(C)CCN;XWUCQTKHBPFLHS-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132542;MM132542;ON=CNCCCF;TWJHROMDTATRIB-UHFFFAOYSA-N;120.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132543;MM132543;CC(C)C(C)(C)CCF;PHLZSDSQXWIPEL-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132544;MM132544;CCCC(C)(C)C(C)N;DKIGZNMUNOLLAH-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132545;MM132545;CC(N)C(C)(C)CCN;PZOFTBFAYVSMCY-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132546;MM132546;CC(N)C(C)(C)CCO;QCVMDFIUTIMXAA-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132547;MM132547;CC(N)C(C)(C)CCF;DTRIZCBGCDGYBE-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132548;MM132548;CC(O)C(C)(C)CCN;FIEOASHWJUVNLZ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132549;MM132549;CC(O)C(C)(C)CCO;IYBKMQPSCYKLDV-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132550;MM132550;CC(O)C(C)(C)CCF;BZTASFUYZKGXMC-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132551;MM132551;CC(F)C(C)(C)CCN;BCVCXOOVBONADZ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132552;MM132552;CC(F)C(C)(C)CCO;ODWKKTBJHVMSBM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132553;MM132553;CC(F)C(C)(C)CCF;DLOFHQRZXNWPKS-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132554;MM132554;CC(C)(CCN)C(F)F;UROAXOUNEORVMT-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132555;MM132555;CC(C)(CCO)C(F)F;QQKJLXKKWRPLCK-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132556;MM132556;CCCC(C)(N)C(C)C;BKJQGNMGUVZHFL-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132557;MM132557;CC(C)C(C)(N)CCN;YMPVFTGGDNMOFP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132558;MM132558;CC(C)C(C)(N)CCF;DYHXULOMPIJUBL-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132559;MM132559;CCCC(C)(N)C(C)N;NBRKRDDQBAPVLJ-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132560;MM132560;CC(F)C(C)(N)CCF;VVWAZEHSBVURKY-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132561;MM132561;CN(C)C1CC1(O)C#N;SXJHSQTTWVAHSZ-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132562;MM132562;CC(C)C(C)(O)CCF;QVGUECMMYAZJFJ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132563;MM132563;CC(N)C(C)(O)CCO;CLMCGRWUOIVCPZ-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132564;MM132564;CCCC(C)(O)C(C)O;PJCFOSBWMFNMHT-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132565;MM132565;CCCC(C)(O)C(C)F;KWZBTQBQEKLAOY-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132566;MM132566;CC(F)C(C)(O)CCN;NIUQDTUVTCEMRK-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132567;MM132567;CC(F)C(C)(O)CCF;MOKUJTNRQCVYAJ-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132568;MM132568;CC(O)(CCF)C(F)F;ULVUVINGAGZCAD-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132569;MM132569;CCCC(C)(F)C(C)C;OYEILYOXZSAEGZ-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132570;MM132570;CC(C)C(C)(F)CCN;RVGQOQWCVCAKIB-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132571;MM132571;CC(C)C(C)(F)CCO;IDCPISZGZXPWIW-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132572;MM132572;CC(C)C(C)(F)CCF;GKLCYWGMNGAGBC-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132573;MM132573;CCCC(C)(F)C(C)N;YTRVBKRKKUJXOV-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132574;MM132574;CCCC(C)(F)C(C)O;ZKVABPMLNZMOQW-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132575;MM132575;CC(O)C(C)(F)CCF;BORMZGMMKKILAS-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132576;MM132576;CCCC(C)(F)C(C)F;FVDIJEIROBZQMI-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132577;MM132577;CC(F)C(C)(F)CCN;PKYQULYSGOWRRO-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132578;MM132578;CC(F)(CCO)C(F)F;FLXZMRXEXYSEDS-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132579;MM132579;CCCC(F)(F)C(C)C;FARCWYMPKOYHFC-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132580;MM132580;CC(C)C(F)(F)CCN;CWTJFPIRAHOEDZ-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132581;MM132581;CC(C)C(F)(F)CCO;YAUQGYBECVHYOO-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132582;MM132582;CC(C)C(F)(F)CCF;QLTACUBGVVTQBQ-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132583;MM132583;CC(N)C(F)(F)CCN;CHIKMVYQWOWWQI-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132584;MM132584;CCCC(F)(F)C(C)O;CBFZONZDUFDHGA-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132585;MM132585;CC(F)C(F)(F)CCN;TYOYFWLHQNDXKA-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132586;MM132586;CC(F)C(F)(F)CCO;HLLSLEZHDPAOJK-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132587;MM132587;CNCC(C)(C)C(C)C;QFGCHSAYNIJEQQ-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132588;MM132588;CNCC(C)(C)C(F)F;NRZSXQULACAEGR-UHFFFAOYSA-N;137.17;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132589;MM132589;CNCC(C)(O)C(F)F;SFTDQIRVFQMKAP-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132590;MM132590;CNCC(C)(F)C(C)C;LRHBIJSUDGEAEU-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132591;MM132591;CNCC(C)(F)C(C)F;PGAMCYSJMCXRST-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132592;MM132592;COCC(C)(O)C(C)N;ZTIHPDWAHAAOIG-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132593;MM132593;COCC(C)(O)C(C)O;IOYWGMAMYOKUSJ-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132594;MM132594;COCC(C)(O)C(F)F;AHIUDNZCBBDIRB-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132595;MM132595;CCNC(C)(C)C(C)C;NGWSAUQBWVWFCU-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132596;MM132596;CCNC(C)(C)C(C)N;IRBXAWFBQXHXOJ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132597;MM132597;CCNC(C)(C)C(C)O;LWPXUXWTBSPJPA-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132598;MM132598;CCNC(C)(C)C(C)F;JINONODJCZUHMT-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132599;MM132599;CCOC(C)(C)C(C)C;VKWIKEWAIQUSPY-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132600;MM132600;CCOC(C)(C)C(C)N;PEKNHAQOZUOFNN-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132601;MM132601;CCOC(C)(C)C(C)O;HVEUAEUTTPUHEC-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132602;MM132602;CCCC(C)(C)N(C)C;JPOFOTZYIMHNMX-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132603;MM132603;CN(C)C(C)(C)CCO;SXDMTFQFUSHADO-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132604;MM132604;CN(C)C(C)(C)CCF;SWZUSTUBRRIRMD-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132605;MM132605;C=CCC(C)(C)C(C)C;XBPOAMYCIJJXFJ-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132606;MM132606;CC(C)C(C)(C)CC=O;LLEUTPZRRXZQRC-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132607;MM132607;CC(C)C(C)(C)CC#N;NFFDLENKVNHMPC-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132608;MM132608;C=CCC(C)(C)C(C)N;VNAYYACIOWQZLD-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132609;MM132609;C=C(C)C(=C)C(C)=NO;KWPIZYKTENPIMJ-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132610;MM132610;CC(O)C(C)(C)CC=O;FOHHMGBIAFKYJO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132611;MM132611;CC(O)C(C)(C)CC#N;IXLJEEURAUZBTQ-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132612;MM132612;CC(F)C(C)(C)CC=O;RLFZMDFGDKGYCB-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132613;MM132613;CC(F)C(C)(C)CC#N;LKCQSOPCMQOGMG-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132614;MM132614;CC(C)(CC=O)C(F)F;XGOMOAVSRPEJRW-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132615;MM132615;C=CCC(C)(N)C(C)C;QSOLDSXLZPOLRV-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132616;MM132616;C=CCC(C)(N)C(C)F;PAGFXUYSFZKANN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132617;MM132617;CC=CC=CC(C)=NO;OCFWHABNAPOMFM-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132618;MM132618;CC(C)C(C)(O)CC=O;UFAJZTJRQDGNKD-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132619;MM132619;CC(O)C(C)(O)CC=O;RJKLRJTWLKKQSE-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132620;MM132620;C=CCC(C)(O)C(C)F;OEAPASHTBDWJOB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132621;MM132621;CC(C)C(C)(F)CC=O;AACCRQHCEIQFPT-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132622;MM132622;CC(C)C(C)(F)CC#N;ZSWCPAFJUUZJRO-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132623;MM132623;C=CCC(C)(F)C(C)N;HKQILZPHDQUHKX-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132624;MM132624;C=CCC(C)(F)C(C)O;YCVDEVFUMLODJM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132625;MM132625;C=CCC(C)(F)C(C)F;AMIXBYYEYPKDJR-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132626;MM132626;CC(F)C(C)(F)CC=O;PKUWSIREUCROCH-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132627;MM132627;C=CCC(F)(F)C(C)C;IJYBITUGQIMBHT-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132628;MM132628;CC(C)C(F)(F)CC=O;JOVGIVWOLTVVCT-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132629;MM132629;C=CCC(F)(F)C(C)O;IKTAWZRPTKIMIZ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132630;MM132630;CC(O)C(F)(F)CC#N;ZQEIYAYBWXKHCW-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132631;MM132631;C=CCC(F)(F)C(C)F;FJARVEOCNIEEOE-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132632;MM132632;CC(F)C(F)(F)CC=O;NSLUQXJMHAWHPH-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132633;MM132633;N#CCC(F)(F)C(F)F;VMAIKOJTKOBRHH-UHFFFAOYSA-N;141.07;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132634;MM132634;CC(C)C(C)(C)NC=N;LZOUHYXRIJWLRW-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132635;MM132635;Cc1nc(O)n(C)c1O;KZWJXQYBNMRNED-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132636;MM132636;CC(F)C(C)(C)NC=N;CYGHFTJAUIXDDL-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132637;MM132637;CC(F)C(C)(C)NC=O;NLWZRVDTLLNZCQ-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132638;MM132638;CCC1=CC(=NO)NC1;WDWYQDKGCICGLI-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132639;MM132639;C=COC(C)(C)C(C)C;FJTKTYVLWRDKIV-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132640;MM132640;CC(C)C(C)(C)OC=O;KZYPCOBLABZZHM-UHFFFAOYSA-N;130.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132641;MM132641;C=COC(C)(C)C(C)N;QKDDNAAZXYYDMZ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132642;MM132642;CC(F)C(C)(C)OC=O;LZHQTESXQMTAEM-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132643;MM132643;CC(C)(OC=O)C(F)F;IAMYHJJKMJSQBP-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132644;MM132644;C=NOC(C)(C)C(C)C;QQHMJRMPJMDNBK-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132645;MM132645;CC(C=CC1CC1)=NO;ZVFUBAIABYHHJT-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132646;MM132646;C=NOC(C)(C)C(C)F;YFDKDZMYEGUGHU-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132647;MM132647;C=CCC(C)(C)N(C)C;HWYYQVHBZOIKRS-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132648;MM132648;CN(C)C(C)(C)CC=O;GVAUXYQQLPHEKW-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132649;MM132649;C#CCC(C)(C)C(C)C;YIBIYDIQMMXSHX-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132650;MM132650;C#CCC(C)(N)C(C)C;YRSCYICINIENOD-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132651;MM132651;CCC=CN=CNC=O;SRNFVHYMYAGNII-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132652;MM132652;C#CCC(C)(O)C(C)F;IPRWENNUSWHOAO-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132653;MM132653;C#CCC(C)(F)C(C)O;UJSLSWUTZSZJPY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132654;MM132654;C#CCC(F)(F)C(C)C;JANIBWWYGNCFTM-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132655;MM132655;C#CCC(C)(C)N(C)C;YHXWKORKKDDZAD-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132656;MM132656;C=C(C)C(C)(C)CCN;BTKXLRCEZGUWRW-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132657;MM132657;C=C(C)C(C)(C)CCF;GMBLNZIQKYNQQX-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132658;MM132658;CCCC(C)(C)C(C)=O;LJZPWSZYYTUCDP-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132659;MM132659;CC(=O)C(C)(C)CCF;NLAQQJMLKKZMJI-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132660;MM132660;CCCC(C)(C)C(=N)N;QNGAGRFFLNUISE-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132661;MM132661;CC(C)(CCN)C(=N)N;NWAMGMXDSWXEBQ-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132662;MM132662;CC(C)(CCF)C(=N)N;MUGVMLVAIOJHAQ-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132663;MM132663;N=CNC(=O)C=C(N)CO;JQESYHUQMDSXEA-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132664;MM132664;CC(C)(CCN)C(N)=O;PNKODFWJMLXLCU-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132665;MM132665;CC(C)(CCO)C(N)=O;NMUDOBUXTGJCTL-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132666;MM132666;CCCC(C)(C)C(=O)O;ZRYCZAWRXHAAPZ-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132667;MM132667;C=C(F)C(C)(C)CCC;HRPDEKXSAUOIIK-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132668;MM132668;C=C(F)C(C)(C)CCN;KPEKADCUTHLREL-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132669;MM132669;C=C(F)C(C)(C)CCO;CTCMUNLDFIKISJ-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132670;MM132670;C=C(F)C(C)(C)CCF;CCRFKNVOEILMPW-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132671;MM132671;C=C(C)C(C)(N)CCC;DBGDYRHBLYYFIV-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132672;MM132672;C=C(C)C(C)(N)CCN;MWNVLAFLWBMBEM-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132673;MM132673;CCCC(C)(N)C(=N)N;GDYIIDMDVYJZJU-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132674;MM132674;CCCC(C)(N)C(N)=O;CXQPSCDCCPNIEX-UHFFFAOYSA-N;130.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132675;MM132675;C=C(F)C(C)(N)CCC;VHNKXJLYNYHEJC-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132676;MM132676;C=C(F)C(C)(N)CCN;ONPXDEADHXUHTM-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132677;MM132677;C=C(F)C(C)(N)CCF;AFOAUMGKILRPHW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132678;MM132678;C=C(C)C(C)(O)CCO;KWGGKMQJAHTHNQ-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132679;MM132679;CC(O)(CCO)C(=N)N;MSWXBYPGELRUEE-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132680;MM132680;CC(O)(CCO)C(N)=O;QVTWOCPYJYXOJO-UHFFFAOYSA-N;133.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132681;MM132681;Nn1cnn(O)c1=O;YQXOXPMNADFYPZ-UHFFFAOYSA-N;116.08;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132682;MM132682;C=C(F)C(C)(O)CCN;USJJOJKRWZKECU-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132683;MM132683;C=C(C)C(C)(F)CCC;BIYKPKSQGLVVTA-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132684;MM132684;C=C(C)C(C)(F)CCO;UHFTUMBVSLRZTQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132685;MM132685;C=C(C)C(C)(F)CCF;CFIPXKGHQCWFHN-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132686;MM132686;CCCC(C)(F)C(C)=O;HUPQRUOKBIADAX-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132687;MM132687;CC(=O)C(C)(F)CCF;UVTLNZCLGYIPIW-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132688;MM132688;CCCC(C)(F)C(=N)N;KZGGOJVWBUCSGY-UHFFFAOYSA-N;132.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132689;MM132689;CCCC(C)(F)C(N)=O;OMROABOTJFCIHS-UHFFFAOYSA-N;133.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132690;MM132690;CCCC(C)(F)C(=O)O;DPJCHQMYJAOUDX-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132691;MM132691;CC(F)(CCF)C(=O)O;NQSGQTDCWIBTHK-UHFFFAOYSA-N;138.11;1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132692;MM132692;C=C(F)C(C)(F)CCC;JRCJECMUHNCTCB-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132693;MM132693;C=C(F)C(C)(F)CCN;DVYOZFGUGOATBG-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132694;MM132694;C=C(F)C(C)(F)CCF;CXZPVBNBFWQRLG-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132695;MM132695;C=C(C)C(F)(F)CCC;UHUQCWAUAUASSI-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132696;MM132696;C=C(C)C(F)(F)CCN;FYDJXAWDIKXIJA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132697;MM132697;C=C(C)C(F)(F)CCO;GFRVQTFSAKZMNG-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132698;MM132698;C=C(C)C(F)(F)CCF;CQQLCEXVYFJSMJ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132699;MM132699;CCCC(F)(F)C(C)=O;FUYQCOSNPRCPNR-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132700;MM132700;N=C(N)C(F)(F)CCN;UGRLKPVLPVCUKC-UHFFFAOYSA-N;137.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132701;MM132701;CCCC(F)(F)C(=O)O;DIXONZOTEIIZKO-UHFFFAOYSA-N;138.11;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132702;MM132702;C=C(C)C(C)(C)CNC;ZXCDUDVDFRWQGL-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132703;MM132703;CNCC(C)(C)C(N)=O;GYIUADWQZCYHFP-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132704;MM132704;C=C(F)C(C)(C)CNC;GENVWXQLNWNLAK-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132705;MM132705;CNCC(C)(N)C(N)=O;LIRCKIZFRNHYOI-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132706;MM132706;CNCC(C)(O)C(=N)N;IJJSTNVAHZMGCA-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132707;MM132707;CNCC(C)(O)C(N)=O;VMHPMMCEKTXJQI-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132708;MM132708;C=C(F)C(C)(O)CNC;PIDULXOSMSLUQV-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132709;MM132709;C=C(F)C(C)(F)CNC;XZTJUHPWPQHSGU-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132710;MM132710;C=C(C)C(C)(C)COC;AEMIFCFILVFGMA-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132711;MM132711;COCC(C)(C)C(=N)N;VHBMZEBQZBPANU-UHFFFAOYSA-N;130.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132712;MM132712;C=Cc1oc(=O)n(N)c1O;JRLFZPLIJKXICJ-UHFFFAOYSA-N;142.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132713;MM132713;C=C(F)C(C)(C)COC;YZBPSPZJHMAVFM-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132714;MM132714;COCC(C)(N)C(=N)N;RCXUQYSOKNGUSN-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132715;MM132715;CC#Cc1c[nH]n(N)c1=O;NVLWHRWPRDMOJL-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132716;MM132716;C=C(C)C(C)(C)NCC;IQRXNEWKJYCEPG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132717;MM132717;C=C(C)C(C)(C)OCC;HCUUOOGQDKPINF-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132718;MM132718;CNn1cnn(O)c1=O;PTQJOUDBRZLYHX-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132719;MM132719;C=CCC(C)(C)C(=C)C;NEECLMYGWXEYKB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132720;MM132720;C=C(C)C(C)(C)CC=O;FNLYBFPECCTSJZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132721;MM132721;C=C(C)C(C)(C)CC#N;GEVHLIZQPWIVPL-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132722;MM132722;C=CCC(C)(C)C(C)=O;AICKKCPBGSMRJG-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132723;MM132723;CC(=O)C(C)(C)CC=O;HENIAPZWVZKYEO-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132724;MM132724;CC(=O)C(C)(C)CC#N;HRYQCCNUOCOXSA-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132725;MM132725;C=CCC(C)(C)C(=N)N;RSRQCOOZSPVWSO-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132726;MM132726;C=CC(N)=CC(=O)NC=N;VBBZJCNWZDAYPL-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132727;MM132727;C=CCC(C)(C)C(=O)O;BGUAPYRHJPWVEM-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132728;MM132728;N=c1nc(O)c(O)nn1N;RYZSMUIVLNKVFJ-UHFFFAOYSA-N;143.11;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132729;MM132729;C=C(F)C(C)(C)CC=O;MVSBCAHYZGYSSZ-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132730;MM132730;C=CCC(C)(N)C(=C)C;HBCBYQNVOYPKAW-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132731;MM132731;C=CCC(C)(N)C(N)=O;YERSGVQSBHBTNK-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132732;MM132732;C=CCC(C)(N)C(=C)F;YWCVPZNOLNKJIP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132733;MM132733;CNNC(=O)OCOC=O;XIGYUHVPQDGGFX-UHFFFAOYSA-N;148.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132734;MM132734;Cn1c(O)nc(=NO)n1N;KFUYVKZZHNMEKM-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132735;MM132735;C=Cn1cnc(=NO)[nH]1;IJCBMEKHVLUJKZ-UHFFFAOYSA-N;126.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SNd";;;;;;;-1.11;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132736;MM132736;C=CCC(C)(F)C(=C)C;ANNFKBCHBUMPTK-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132737;MM132737;C=C(C)C(C)(F)CC=O;KNPQQVOSQGPKNT-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132738;MM132738;C=C(C)C(C)(F)CC#N;HGOXMLXLKQPAFL-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132739;MM132739;CC(=O)C(C)(F)CC#N;IAWVJDDPQSRHFM-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132740;MM132740;C=CCC(C)(F)C(N)=O;WGBYDTLPKPWHMR-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132741;MM132741;C=CCC(C)(F)C(=O)O;XXPYHJVOQKBJBQ-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132742;MM132742;C=CCC(C)(F)C(=C)F;ZZTVIRSKNSPAPZ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132743;MM132743;C=C(F)C(C)(F)CC=O;YUZNYRNXUYQCPM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132744;MM132744;C=CCC(F)(F)C(=C)C;KCCYFCLZSLSKMU-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132745;MM132745;C=C(C)C(F)(F)CC=O;XOQBXYCOFZLLCY-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132746;MM132746;C=CCC(F)(F)C(C)=O;ASQLXZLOLQDEIW-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132747;MM132747;C=CCC(F)(F)C(N)=O;GUTUDWSTXIFHCA-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132748;MM132748;C=CCC(F)(F)C(=O)O;LHOKYUDUAYXFGF-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132749;MM132749;N#CCC(F)(F)C(=O)O;BFFSYVAOPYBXSM-UHFFFAOYSA-N;135.07;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132750;MM132750;C=C(C)C(C)(C)NC=N;KQRVAMBBBHEJEZ-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132751;MM132751;N=CNC(=O)CC#CCF;QMSBEJVJPOAKAB-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132752;MM132752;CC(C)(NC=N)C(=N)N;YJASJALIMLTRIA-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132753;MM132753;CC(C)(NC=O)C(=N)N;CARQOHXUYGLFNX-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132754;MM132754;C=C(F)C(C)(C)NC=N;AAYIMCLTWNSKGB-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132755;MM132755;CCCC#CC(=O)NNC;GFZYCQYPIWSNJN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132756;MM132756;C=COC(C)(C)C(=C)C;MSBQDFDFJNGIBG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132757;MM132757;C=C(C)C(C)(C)OC=O;RKSHUDWWDXZJOI-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132758;MM132758;C=COC(C)(C)C(=N)N;LOVPGUVOAPVGJF-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132759;MM132759;C=C(F)C(C)(C)OC=O;WYWJWSVUSQIPAY-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132760;MM132760;C=NOC(C)(C)C(=C)C;MSZQIXAUHWCYCJ-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132761;MM132761;N=Cn1ccc(O)n1;INNDAGRVLAOWBU-UHFFFAOYSA-N;111.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132762;MM132762;C#CCC(C)(C)C(=C)C;UYNGPSYBXGOQMV-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132763;MM132763;C#CCC(C)(C)C(C)=O;XPQLMDSLGDWVPF-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132764;MM132764;C#CCC(C)(C)C(=N)N;NRLYSFFLPXOMQX-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132765;MM132765;C#CCC(C)(C)C(N)=O;WEULRKCGOWJPQR-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132766;MM132766;C#CCC(C)(C)C(=O)O;PAIIPYZZHKTSKK-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132767;MM132767;C#CCC(C)(C)C(=C)F;GELRFUARKVROLP-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132768;MM132768;C#CCC(C)(N)C(=C)C;MHHVFEVQSTWOTH-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132769;MM132769;C#CCC(C)(N)C(=N)N;QBCGDWJZVTYFGG-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132770;MM132770;NNC(=O)COC(=O)CO;WILRJUJEYRIGEE-UHFFFAOYSA-N;148.12;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132771;MM132771;C#CCC(C)(O)C(C)=O;VCJBKBDHBWMCFL-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132772;MM132772;C#CCC(C)(O)C(=N)N;NKGVGRDRDPPXPE-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132773;MM132773;C#CCC(C)(O)C(N)=O;GGGCPLUFKZUJIL-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132774;MM132774;C#CCC(C)(F)C(C)=O;MEGBDMNBRUCCKR-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132775;MM132775;C#CCC(C)(F)C(N)=O;NJBPMAHJAKOXBF-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132776;MM132776;C#CCC(C)(F)C(=O)O;HVDLXSVRAQQUSC-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132777;MM132777;C#CCC(F)(F)C(C)=O;VABRGRJYGXTYRE-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132778;MM132778;CC=CC(C)(C)C(C)C;PRUCZTKBAPTGNR-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132779;MM132779;CC(C)C(C)(C)C=CF;CPGBNBUVCIFETO-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132780;MM132780;CC=CC(C)(C)C(C)N;AIWCIYICDCBSQL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132781;MM132781;CC(N)C(C)(C)C=CF;VIMNUIOJNWIQMS-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132782;MM132782;CCN(C)C1CC1(O)C#N;XSOYVGFWGCZSPI-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132783;MM132783;CC(O)C(C)(C)C=CF;CITDCKVZLRLJTN-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132784;MM132784;CC=CC(C)(C)C(C)F;DMPBCJQPJCXVGG-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132785;MM132785;CC(F)C(C)(C)C=CF;WMJWOIWETJZHNT-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132786;MM132786;CC(C)(C=CF)C(F)F;RMIFZLGZOKWKOI-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132787;MM132787;CC=CC(C)(N)C(C)C;DJBGGQLXTALJRP-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132788;MM132788;CC(C)C(C)(N)C=CF;XIIRAJAYSIMHIA-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132789;MM132789;CC(O)C(C)(N)C=CF;ADNDTVOCIOIXKM-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132790;MM132790;CC=CC(C)(N)C(C)F;FFDGVKBTXKZMRV-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132791;MM132791;CC(F)C(C)(N)C=CF;MAECETYUJYGMQC-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132792;MM132792;CC(C)C(C)(O)C=CF;CGPUTULCXHVWHA-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132793;MM132793;CC(N)C(C)(O)C=CF;JXUWNIIQQPVEPU-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132794;MM132794;CC=CC(C)(O)C(C)F;ITPSNOSLWYFCHM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132795;MM132795;CC(F)C(C)(O)C=CF;UQPZUCJUCCBJKE-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132796;MM132796;CC(C)C(C)(F)C=CF;DXFFYHQXKFZVLD-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132797;MM132797;CC(N)C(C)(F)C=CF;BQXFCHTYCDYYTM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132798;MM132798;CC(C)C(F)(F)C=CF;WRLXSDAMVADVAQ-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132799;MM132799;CC(C)C(C)(C)C=NN;OKBAJGBFZYAXQK-UHFFFAOYSA-N;128.22;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132800;MM132800;CC(C)C(C)(C)C=NO;ODTYFUPVMKNERR-UHFFFAOYSA-N;129.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132801;MM132801;CC(O)C(C)(C)C=NO;CZAQHSKBBRRAJP-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132802;MM132802;CC(F)C(C)(C)C=NN;FFZWHIBZMUZXJJ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132803;MM132803;CC(F)C(C)(C)C=NO;WQCAJXNOPKSNME-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132804;MM132804;CC(C)(C=NN)C(F)F;ZFEXDZACABUILS-UHFFFAOYSA-N;136.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132805;MM132805;CC(O)(C=NN)C(F)F;PJQMCONSKXYESS-UHFFFAOYSA-N;138.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132806;MM132806;CC(C)C(C)(F)C=NN;XMYBCHMFBQJLCP-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132807;MM132807;CC(F)C(C)(F)C=NN;HCYZJLVZTGSLNN-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132808;MM132808;O=C1CC(=O)C(=O)O1;LSBTXBFPGXXWAD-UHFFFAOYSA-N;114.06;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132809;MM132809;CC=CC(C)(C)N(C)C;MOFURCBUTMZVIS-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132810;MM132810;CN(C)C(C)(C)C=CF;UEGRKVXQHLWFSQ-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132811;MM132811;C=C(C)C(C)(C)C=CC;PYIDNRXQWJKATC-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132812;MM132812;C=C(C)C(C)(C)C=CF;SBFBHYWQPJORLT-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132813;MM132813;CC=CC(C)(C)C(C)=O;LCHQSJKSMNPVBS-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132814;MM132814;CC(=O)C(C)(C)C=CF;CBEWMAIYRQGTDP-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132815;MM132815;CC=CC(C)(C)C(=N)N;KMNANONFKVRZGX-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132816;MM132816;CC(C)(C=CF)C(=N)N;ATEQPCHMXKLTIH-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132817;MM132817;CCNNC(=O)NCC#N;JILOCPJVIJHQPO-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132818;MM132818;CC(C)(C=CF)C(N)=O;CELZADBKRLDRBC-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132819;MM132819;CC=CC(C)(C)C(=O)O;WMAWBFFTFBALHM-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132820;MM132820;CC(C)(C=CF)C(=O)O;MPAGDMMHLWYROM-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132821;MM132821;C=C(F)C(C)(C)C=CC;VWIPSZHFZOSSNC-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132822;MM132822;C=C(F)C(C)(C)C=CF;HVNPMTVUFLPGSV-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132823;MM132823;C=C(C)C(C)(N)C=CC;NRJKUWJXHZMHAH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132824;MM132824;C=C(C)C(C)(N)C=CF;LXPBTKNNIHZCJY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132825;MM132825;C=C(C)C(C)(O)C=CF;REIKWYKWGQZHAD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132826;MM132826;CC=CC(C)(O)C(C)=O;DPWTWWGOUNHDCR-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132827;MM132827;CC=CC(C)(O)C(=N)N;JNAVBYALLWLGFI-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132828;MM132828;CC(O)(C=CF)C(=N)N;ATPCNMRDNJOAOD-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132829;MM132829;Cc1cc(=O)n(O)oc1=O;YJLBWNFVEATLPP-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132830;MM132830;C=C(F)C(C)(O)C=CF;AKIFWKBGLPFFOD-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132831;MM132831;CC=CC(C)(F)C(C)=O;COMVUZNZLSEZDN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132832;MM132832;CC(=O)C(C)(F)C=CF;JZDGUYZEAHDION-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132833;MM132833;CC=CC(C)(F)C(N)=O;KHIRSQXABZEPPH-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132834;MM132834;CC=CC(C)(F)C(=O)O;XOODPWABEDLAGS-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132835;MM132835;CC(F)(C=CF)C(=O)O;TYOXDDLRMDLEFP-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132836;MM132836;C=C(F)C(C)(F)C=CF;VCPYZQAKTYJVAC-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132837;MM132837;CC=CC(F)(F)C(C)=O;HPPROVYIJCTJTO-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132838;MM132838;C=C(C)C(C)(C)C=NN;HPTOJNFYCOGLBY-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132839;MM132839;C=C(C)C(C)(C)C=NO;ACMOPUOTAKFYIO-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132840;MM132840;CC(C)(C=NO)C(=N)N;PMZKMMRGALZLAZ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132841;MM132841;CC(C)(C=NO)C(N)=O;HWESKCMRVAINBW-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132842;MM132842;C=C(F)C(C)(C)C=NO;IPFFYWHDKVHRIF-UHFFFAOYSA-N;131.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132843;MM132843;CCC(=O)NN=CC=NN;SABJODKFWYZTIJ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132844;MM132844;C#Cc1[nH]c(=O)n(O)c1O;OTKOOPDWCYZSJI-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132845;MM132845;C=Cn1cnn(O)c1=O;BPMIGBKJZMALTF-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132846;MM132846;Nc1[nH]c(=O)n(O)c1F;JZFOLFMQCQSXJD-UHFFFAOYSA-N;133.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132847;MM132847;C=C(F)C(C)(F)C=NN;VPAAAEZPXNJNHU-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132848;MM132848;CC#CC(C)(C)C(C)C;YRWKVFWKGUZUGY-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132849;MM132849;CC#CC(C)(C)C(C)N;DCMFIRKTTHTUDG-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132850;MM132850;C=CC(=CC=O)C(N)=NO;QPSJOWKFZUERHO-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132851;MM132851;CC#CC(C)(C)C(C)F;PASPQYLCBWYTBX-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132852;MM132852;CC#CC(C)(N)C(C)C;JIQKAVXWYAONMK-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132853;MM132853;CC#CC(C)(F)C(C)C;PYVZUGJYMSPXMD-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132854;MM132854;CC#CC(C)(F)C(C)N;FWDLAFIZQWURHR-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132855;MM132855;CC#CC(C)(F)C(C)O;JUQXAQQPPQYOEZ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132856;MM132856;CC#CC(C)(C)N(C)C;KSJZYHGTWRFPEQ-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132857;MM132857;C=C(C)C(C)(C)C#CC;UHEZBGMYWSONLP-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132858;MM132858;CC#CC(C)(C)C(C)=O;XTEKLAMRWJIPOA-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132859;MM132859;CC#CC(C)(C)C(=N)N;OUDWLLBZIZBESX-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132860;MM132860;CC#CC(C)(C)C(N)=O;GJCMNJDXQJVIHA-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132861;MM132861;CC#CC(C)(C)C(=O)O;ZNGHLJGYVHSXJC-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132862;MM132862;C=C(F)C(C)(C)C#CC;OVBUYANZDCCLLL-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132863;MM132863;C=C(C)C(C)(N)C#CC;DJKZGPKEVBBESS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132864;MM132864;C=C(C)C(C)(O)C#CC;PCPZQKHKMXVGIT-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132865;MM132865;CC#CC(C)(O)C(=N)N;CGWSNANWJSMALU-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132866;MM132866;CC#CC(C)(O)C(N)=O;UVBFZZNSLRCWQS-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132867;MM132867;Nc1coc(=O)c(=O)n1O;WAQMZQWWBLSCDQ-UHFFFAOYSA-N;144.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132868;MM132868;C=C(C)C(C)(F)C#CC;ZITUEZRNJJLCCW-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132869;MM132869;CC#CC(C)(F)C(C)=O;HLPWKHSOHXLKKV-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132870;MM132870;CC#CC(F)(F)C(N)=O;KQVRIAXWWGEYSN-UHFFFAOYSA-N;133.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132871;MM132871;CC(C)C(C)(C)C(C)N;IGVJURCBQFKBHB-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132872;MM132872;CCNC(=NCC#N)NO;JEUTZTTUDUUBIY-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132873;MM132873;CC(C)C(C)(C)C(C)F;YIPDUEGJKLVHAS-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132874;MM132874;CC(C)C(C)(C)C(F)F;INBFOTDLWYHKKA-UHFFFAOYSA-N;136.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132875;MM132875;CC(N)C(C)(C)C(C)F;PPJZFKPXGNWGCT-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132876;MM132876;CC(N)C(C)(C)C(F)F;HWYSAQFUXMCRQD-UHFFFAOYSA-N;137.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132877;MM132877;CC(O)C(C)(C)C(C)F;ZHYYICDQXXLQTM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132878;MM132878;CC(O)C(C)(C)C(F)F;UOHWXXJRTJCGGP-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132879;MM132879;CC(F)C(C)(C)C(C)F;REEIRIHKGZCILX-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132880;MM132880;CC(F)C(C)(C)C(F)F;LJWZFFPTXFSWCM-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132881;MM132881;CC(C)(C(F)F)C(F)F;HOVIZJUNHKFBTR-UHFFFAOYSA-N;144.11;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132882;MM132882;CC(C)C(C)(N)C(C)C;CTTUQCIBNSCQRH-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132883;MM132883;CC(C)C(C)(N)C(C)F;GYFGYNPKSZPWOY-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132884;MM132884;CC(N)C(C)(N)C(C)O;XYANWDQOYLERJI-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132885;MM132885;CC(N)C(C)(N)C(F)F;AWCBXTDSSPQBOY-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132886;MM132886;CC(O)C(C)(N)C(C)F;XJSHNWCXKCDSMX-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132887;MM132887;CC(C)C(C)(O)C(C)C;PLSMHHUFDLYURK-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132888;MM132888;CC(C)C(C)(O)C(C)F;CJBYWKWHWXHWRZ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132889;MM132889;CC(N)C(C)(O)C(C)N;KLSQWSUZSGDFSW-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132890;MM132890;CC(F)C(C)(O)C(C)F;OPDDSLKZRGFRDL-UHFFFAOYSA-N;138.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132891;MM132891;CC(C)C(C)(F)C(C)C;YTVPWTMLQPBJHA-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132892;MM132892;CC(C)C(C)(F)C(C)N;WOBGTNURKNXBLC-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132893;MM132893;CC(C)C(C)(F)C(C)O;OZORMIFFRJEZCQ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132894;MM132894;CC(N)C(C)(F)C(C)F;AQGMEQJLTMEPPS-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132895;MM132895;CC(O)C(C)(F)C(C)F;XFVMPUHYRSQJNA-UHFFFAOYSA-N;138.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132896;MM132896;CC(F)C(C)(F)C(C)F;GFQQGHOLYSDYLB-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132897;MM132897;CC(C)C(F)(F)C(C)C;OYMCICUVXIIAOW-UHFFFAOYSA-N;136.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132898;MM132898;CC(C)C(F)(F)C(C)F;ULGZVQHCGYUYHH-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132899;MM132899;CC(C)C(C)(C)N(C)C;GIYIPFNEKOGFFX-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132900;MM132900;CC(F)C(C)(C)N(C)C;WQOQKMWKZMNERW-UHFFFAOYSA-N;133.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132901;MM132901;CC(=O)C(C)(C)C(C)C;MQJUHFWPBZLKFV-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132902;MM132902;CC(C)C(C)(C)C(=N)N;DGAIDHFAPFWRIM-UHFFFAOYSA-N;128.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132903;MM132903;O=CCNNC(=NO)NO;SHPVVJROBBNDTQ-UHFFFAOYSA-N;148.12;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132904;MM132904;CC(C)C(C)(C)C(=O)O;MLFLWIBXZIPYEI-UHFFFAOYSA-N;130.19;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132905;MM132905;C=C(F)C(C)(C)C(C)C;HCWPAWRYNGZVFA-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132906;MM132906;C=C(C)C(C)(C)C(C)N;ORJWRHSTCHNZFO-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132907;MM132907;C=C(F)C(C)(C)C(C)N;DPGDAZATJRVZPH-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132908;MM132908;CC(C)C1=CC(=NO)CC1;MRLURZIAWDHDKS-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132909;MM132909;CC(=O)C(C)(C)C(C)O;WTSKQGQFXCWQHU-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132910;MM132910;C=C(F)C(C)(C)C(C)O;OIWVZGTXAOAADZ-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132911;MM132911;CC(=O)C(C)(C)C(C)F;CEYXRANFZVDCDW-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132912;MM132912;CC(F)C(C)(C)C(=N)N;OBEJGSRWYHZFOO-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132913;MM132913;CC(F)C(C)(C)C(N)=O;XBZRFQALPMGGTG-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132914;MM132914;CC(F)C(C)(C)C(=O)O;COYMFMCKTZLKIF-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132915;MM132915;C=C(F)C(C)(C)C(C)F;ZMTVPOYTMWXYHX-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132916;MM132916;C=C(C)C(C)(C)C(F)F;WHVVDBHFAVPMII-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132917;MM132917;CC(=O)C(C)(C)C(F)F;UDZHGMYHOSYFFC-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132918;MM132918;CC(C)(C(=N)N)C(F)F;UBGIACYCENHWAB-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132919;MM132919;CC(C)(C(=O)O)C(F)F;CJUCPGKPFFVMPL-UHFFFAOYSA-N;138.11;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132920;MM132920;C=C(F)C(C)(C)C(F)F;WAQQPBLFRKNTFV-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132921;MM132921;C=C(C)C(C)(N)C(C)C;ZSOAKWLSOXZARG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132922;MM132922;C=C(F)C(C)(N)C(C)C;URTMXWAPACRWCK-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132923;MM132923;C=C(C)C(C)(N)C(C)N;GTCIASPWLOMEGY-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132924;MM132924;C=C(C)C(C)(N)C(C)F;NLCZVOKJEJKATH-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132925;MM132925;C=C(F)C(C)(O)C(C)C;GQGHJLQRNVVNRI-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132926;MM132926;C=C(C)C(C)(O)C(C)N;KCWATMPLPRCUGX-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132927;MM132927;C=C(C)C(C)(O)C(C)O;NPXLKXBSFDPBFJ-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132928;MM132928;CC(O)C(C)(O)C(=N)N;PYQMXNKWXADQLJ-UHFFFAOYSA-N;132.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132929;MM132929;CC(O)C(C)(O)C(N)=O;GTOSCVAKDYCKNW-UHFFFAOYSA-N;133.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132930;MM132930;C=C(C)C(C)(O)C(C)F;OKQVUHKEYRSQIN-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132931;MM132931;CC(=O)C(C)(F)C(C)C;BQRCFTRXZVTHFJ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132932;MM132932;CC(C)C(C)(F)C(N)=O;WHNWUAZYEGHCFB-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132933;MM132933;CC(C)C(C)(F)C(=O)O;NWNBLXQSMQHLIE-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132934;MM132934;C=C(C)C(C)(F)C(C)N;LMRXQDFHPNKSAY-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132935;MM132935;C=C(F)C(C)(F)C(C)N;UBNDLHBIBAHEQS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132936;MM132936;C=C(C)C(C)(F)C(C)O;WNRHAEFEUZYZRM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132937;MM132937;C=C(C)C(C)(F)C(C)F;ZEVPRXSZFMKJHS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132938;MM132938;CC(=O)C(C)(F)C(C)F;DCNGSXQKLCCZAD-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132939;MM132939;CC(F)C(C)(F)C(N)=O;JWDVNRUPCLUNLE-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132940;MM132940;CC(F)C(C)(F)C(=O)O;LACLQHRTYGMZQR-UHFFFAOYSA-N;138.11;1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132941;MM132941;C=C(C)C(C)(F)C(F)F;UYNQNQDYRQAWCE-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132942;MM132942;C=C(C)C(F)(F)C(C)C;CXQGPCLLIUYZAW-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132943;MM132943;CC(=O)C(F)(F)C(C)C;YVTOJEQULUXHPM-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132944;MM132944;CC(C)C(F)(F)C(=O)O;MMVPUOUMTMFAAN-UHFFFAOYSA-N;138.11;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132945;MM132945;CC(O)C(F)(F)C(N)=O;AGIKZKDTJFLMAW-UHFFFAOYSA-N;139.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132946;MM132946;CC(F)C(F)(F)C(=N)N;GNRPKBUUYZDWGI-UHFFFAOYSA-N;140.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132947;MM132947;CC(F)C(F)(F)C(N)=O;NRGBUGMONYSUKP-UHFFFAOYSA-N;141.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132948;MM132948;C=C(C)C(C)(C)N(C)C;FRDWTNHFCIQKNS-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132949;MM132949;C=C(C)C(C)(C)C(=C)C;BKCJLBXUWLATEB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132950;MM132950;C=C(C)C(C)(C)C(C)=O;AYUQNUYPCHUXJQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132951;MM132951;C=C(C)C(C)(C)C(=N)N;YANPIFSNOXNWNM-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132952;MM132952;C#Cc1c[nH]c(CC#N)n1;CISSCZBSCHZXIL-UHFFFAOYSA-N;131.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132953;MM132953;C=C(C)C(C)(C)C(=O)O;SZVHSAUMBGHOSC-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132954;MM132954;C=C(C)C(C)(C)C(=C)F;CICYFMXPVJULGZ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132955;MM132955;CC(=O)C(C)(C)C(C)=O;SWGDHTSWHSSMLE-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132956;MM132956;C=C(F)C(C)(C)C(C)=O;SDAOLQXQZQUZKV-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132957;MM132957;C=C(F)C(C)(C)C(=N)N;IOQXMHVFYUWFFX-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132958;MM132958;C#Cc1cc(=O)n(O)o1;ZWNDHVZZBNFWGZ-UHFFFAOYSA-N;125.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132959;MM132959;C=C(F)C(C)(C)C(N)=O;ONQNICLJROGIOV-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132960;MM132960;C=C(F)C(C)(C)C(=O)O;WZBDSFHOFPDGJO-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132961;MM132961;C=C(C)C(C)(N)C(=C)C;VVGGMMASCTVQKJ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132962;MM132962;CCCC1=CC(=NO)CN1;ORWJUGFFXCFTBW-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132963;MM132963;CC(=O)C(C)(O)C(C)=O;PYRMISJRKRVNPG-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132964;MM132964;CC(O)(C(=N)N)C(N)=O;HHJCPCJDJJSLDB-UHFFFAOYSA-N;131.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132965;MM132965;C=C(F)C(C)(O)C(=N)N;VZGSPELPAWSLTA-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132966;MM132966;CC#Cc1cc(=O)n(O)o1;FWXZOMMNOFEGPQ-UHFFFAOYSA-N;139.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132967;MM132967;C=C(C)C(C)(F)C(N)=O;RFIYAGQWMGSESP-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132968;MM132968;C=C(C)C(C)(F)C(=O)O;LCIJQJSEZYBYQX-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132969;MM132969;CC(=O)C(C)(F)C(N)=O;UPSUIYUUTKQJHM-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132970;MM132970;C=C(F)C(C)(F)C(C)=O;BSZKRLIKTDBDFH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132971;MM132971;C=C(F)C(C)(F)C(N)=O;QNTSDLDFYYEUFM-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132972;MM132972;C=C(F)C(C)(F)C(=O)O;CYCNBNVLCFJSIG-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132973;MM132973;C=C(F)C(C)(F)C(=C)F;WXNGEZNBRVSWJM-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132974;MM132974;C=C(C)C(F)(F)C(=C)F;LZKSYDUVKPLWQG-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132975;MM132975;C=C(F)C(F)(F)C(C)=O;LPYBBYIEUNTEJA-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132976;MM132976;C=C(F)C(F)(F)C(=N)N;YSYFEYFOYOKQMU-UHFFFAOYSA-N;138.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132977;MM132977;CC1CC(C(C)(C)C)C1;ONTYSFNKCXBWAQ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132978;MM132978;CN1CC(C(C)(C)C)C1;NLVLJZSVVPXKBK-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132979;MM132979;CC1CN(C(C)(C)C)C1;SXVVZDGUUBJBAC-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132980;MM132980;CC(N)CCCC(C)N;SUILQMYMNUSLAO-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132981;MM132981;CC(N)CCCC(C)O;MAXPVHFUFFFBRP-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132982;MM132982;CC(N)CCCC(C)F;NPTKKHOTFOEPCC-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132983;MM132983;CC(N)CCCC(F)F;XEICCMOBYSUASX-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132984;MM132984;CC(F)CCCC(F)F;BPYJHYFVBHTGKZ-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132985;MM132985;CC(C)CNCC(C)C;NJBCRXCAPCODGX-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132986;MM132986;CC(C)CNCC(C)N;IULLPVRLBFJTKD-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132987;MM132987;CC(C)CNCC(C)O;UGDKQUJYHXHKDT-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132988;MM132988;CC(C)CNCC(C)F;JVCIOYAARRBIIE-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132989;MM132989;CC(N)CNCC(F)F;UVRUFDNWTSCWOT-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132990;MM132990;CC(F)CNCC(F)F;JIBYXUONIVFUJN-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132991;MM132991;FC(F)CNCC(F)F;FJPCRAPMCMURRO-UHFFFAOYSA-N;145.1;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132992;MM132992;CC(N)COCC(C)O;PCXMXFSTOFBHFY-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132993;MM132993;CC(O)COCC(C)O;AZUXKVXMJOIAOF-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132994;MM132994;CC(F)COCC(C)F;QRFBRZFZXUHOMK-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132995;MM132995;CC(F)COCC(F)F;FCZSBAWHRREBSA-UHFFFAOYSA-N;142.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132996;MM132996;FC(F)COCC(F)F;MHLLQRDUPCIDMR-UHFFFAOYSA-N;146.08;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132997;MM132997;CC(C)CCNC(C)C;SZWOFZPDSLAXBP-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132998;MM132998;CC(N)CCNC(C)C;MYQAUDXMRKHRDE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM132999;MM132999;CC(O)CCNC(C)C;NGVGMMWXUKIWPX-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133000;MM133000;CC(F)CCNC(C)C;YNVYYHMWQFHPRL-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133001;MM133001;CC(C)NCCC(F)F;GFJSODQVAIIQKF-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133002;MM133002;CC(C)OCOC(C)C;WDEVXRIFJZNMKM-UHFFFAOYSA-N;132.2;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133003;MM133003;CC(F)CCCN(C)C;DMWJEOWXGIXCQY-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133004;MM133004;CN(C)CCCC(F)F;VMZHAYICXBPHGG-UHFFFAOYSA-N;137.17;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133005;MM133005;C=C(C)CCCC(C)C;JUUMAEXLYIMEOD-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133006;MM133006;CC(C)CCCC(=N)N;VYSHQGUSKZNJJW-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133007;MM133007;C=Nn1cc(CC#N)nn1;LKARYDXVYKNOGS-UHFFFAOYSA-N;135.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133008;MM133008;CC(N)CCCC(=N)N;DHESZZHJHDXJEV-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133009;MM133009;CC(O)CCCC(=N)N;SGHALTVHEHMNKI-UHFFFAOYSA-N;130.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133010;MM133010;CCC1=CC(=NO)NC1C;FQZBSJMQJODOFS-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133011;MM133011;CC(=O)CCCC(C)F;VCNWSEFSEHDROE-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133012;MM133012;CC1CN1C1CC1(O)C#N;OQAXQYKJQGLPSW-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133013;MM133013;CC(F)CCCC(=O)O;IIGXIABVOFYNFO-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133014;MM133014;C=C(C)CCCC(F)F;FDSLONKGVAMNEZ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133015;MM133015;O=C(O)CCCC(F)F;PNKPJTJUUYPYGY-UHFFFAOYSA-N;138.11;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133016;MM133016;C=C(F)CCCC(F)F;BMJHQXCITFXZBO-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133017;MM133017;CC(=O)CNCC(C)C;SJHSVXQMHYTEKW-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133018;MM133018;CC(C)CNCC(=N)N;QKTHDUBGSAJBGE-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133019;MM133019;CC(C)CNCC(N)=O;QJRIYJBZWXFFSH-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133020;MM133020;C=C(F)CNCC(C)N;XOCRCCUECVAMRN-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133021;MM133021;C=C(F)CNCC(F)F;CBFBYVSCBJPLPB-UHFFFAOYSA-N;139.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133022;MM133022;CC(=O)COCC(C)C;TVUXSWPCORSNFU-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133023;MM133023;C=C(C)COCC(C)N;XCKFVBWAVQUZFY-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133024;MM133024;CC(N)COCC(=N)N;CLTYAVZZNWXIEY-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133025;MM133025;C=C(C)COCC(C)O;QOGOGIZUIHBJIC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133026;MM133026;CC(O)COCC(=N)N;WNDJQPISFOOLMZ-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133027;MM133027;CC(O)COCC(N)=O;WWUDZZTURWFPPK-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133028;MM133028;CNc1cc(=O)n(O)o1;NWTJSFUIDPXWAA-UHFFFAOYSA-N;130.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133029;MM133029;C=C(C)COCC(C)F;HWWOHIPLVAEJEL-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133030;MM133030;CC(F)COCC(=N)N;YMANLQCZIZRENT-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133031;MM133031;NC(=O)COCC(F)F;YNBJSIUPQUTYQT-UHFFFAOYSA-N;139.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133032;MM133032;CC(=N)NCCC(C)C;ITWAKHUDKNPKDY-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133033;MM133033;CCC1=C(C)C(=NO)NC1;ULRSANPHPYMPGG-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133034;MM133034;CC(C)CCNC(=N)N;UCPZFSWTHROHJP-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133035;MM133035;CC(=N)NCCC(C)N;YWJLEITXYINVNE-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133036;MM133036;CC(=O)NCCC(C)N;XNTPUXSNIPCMSZ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133037;MM133037;CC(=N)NCCC(C)F;YRXWVVUVXMILHE-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133038;MM133038;CC(F)CCNC(=N)N;JKUCPHCJCXAFGG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133039;MM133039;N=C(N)NCCC(F)F;HLMUVQWRSAOJSA-UHFFFAOYSA-N;137.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133040;MM133040;NC(=O)NCCC(F)F;SHUUFCDPNKCUOH-UHFFFAOYSA-N;138.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133041;MM133041;CC(=N)NNCC(C)C;NAUJCEFFVQTQQX-UHFFFAOYSA-N;129.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133042;MM133042;CC(N)CNNC(=N)N;DPVDUJGQKDVYEF-UHFFFAOYSA-N;131.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133043;MM133043;CC(N)CNNC(N)=O;QDAGOZYKNKSQFZ-UHFFFAOYSA-N;132.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133044;MM133044;CC(O)CNNC(=N)N;NRQDCJWJWTZXFT-UHFFFAOYSA-N;132.17;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133045;MM133045;CCCC=CN=CNC=O;RLXLRBITAPCVFU-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133046;MM133046;CC(=N)NNCC(C)F;WUIOCPGAGBBIAM-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133047;MM133047;CCC(=NO)NNC1CC1;YHLBUZNKHBRECJ-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133048;MM133048;CC(=N)NOCC(C)C;RHVZBSQZIPBICE-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133049;MM133049;CC(=O)NOCC(C)C;HIFQBEBSFCRAMV-UHFFFAOYSA-N;131.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133050;MM133050;CC(N)CONC(=N)N;KXSLITQPQMBQLZ-UHFFFAOYSA-N;132.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133051;MM133051;CC(N)CONC(N)=O;CXQBIBVRMVGNLS-UHFFFAOYSA-N;133.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133052;MM133052;CC(O)CONC(=N)N;UHJLLZJHAZBIKN-UHFFFAOYSA-N;133.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133053;MM133053;CC(O)CONC(N)=O;ZSUDMFZUVSQMMG-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133054;MM133054;CC(F)CONC(=N)N;MLULEDTUTWJLMI-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133055;MM133055;CC(F)CONC(N)=O;UQJFUYDVOUIPEV-UHFFFAOYSA-N;136.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133056;MM133056;N=C(N)NOCC(F)F;QMAOIMYKDRIIIZ-UHFFFAOYSA-N;139.11;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133057;MM133057;NC(=O)NOCC(F)F;AILQXEOCRLBPFK-UHFFFAOYSA-N;140.09;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133058;MM133058;CC(C)CCOC(=N)N;LBLAULIXMUWWDZ-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133059;MM133059;CC(C)CCOC(N)=O;OLCIOXGQTLVZQT-UHFFFAOYSA-N;131.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133060;MM133060;CC(N)CCOC(N)=O;FTROQZSONBYVFY-UHFFFAOYSA-N;132.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133061;MM133061;CC(O)CCOC(N)=O;YQLCYVREFJVRBW-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133062;MM133062;N=C(N)OCCC(F)F;XMJJVVXZTDCZDA-UHFFFAOYSA-N;138.12;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133063;MM133063;CC(=O)CCNC(C)C;LKSYQRFNHXTKKI-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133064;MM133064;CC(C)NCCC(=N)N;CUMLXBOQGFFYLG-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133065;MM133065;CC(C)NCCC(N)=O;ONMUOFLRUZMXGF-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133066;MM133066;C=C(F)CCNC(C)C;ZTLUOERZEYPBBN-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133067;MM133067;CC(=O)CCOC(C)C;MEWOUXCWMNHTIZ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133068;MM133068;CC(C)OCCC(=N)N;OGHRVLDNKQZMLB-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133069;MM133069;Nc1c(O)c(F)n(O)c1O;MVHRWKWKQRMBBW-UHFFFAOYSA-N;148.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133070;MM133070;CC(=O)OCOC(C)C;XEEJTPOVAUVVLF-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133071;MM133071;CC(C)OCOC(=N)N;HARZHNSSTICMCU-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133072;MM133072;C=C(C)CCCN(C)C;RYOLOMGWSKXIMP-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133073;MM133073;CN(C)CCNC(=N)N;JKCZLILBALEVRB-UHFFFAOYSA-N;130.2;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133074;MM133074;CN(C)CCNC(N)=O;HJBKBFDBNBYNDI-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133075;MM133075;C=C(C)OCCN(C)C;XBTWBCXOFVKTNF-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133076;MM133076;CN(C)CCOC(=N)N;KDKCPOFMIOXTPG-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133077;MM133077;CN(C)CCOC(N)=O;LPVCCSSTZWTHFO-UHFFFAOYSA-N;132.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133078;MM133078;CC(C)C=CC=NO;OLJSNQSSQRPLRJ-UHFFFAOYSA-N;113.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133079;MM133079;C=C(C)CCCC(=O)O;HCLVGAZUVMWYLF-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133080;MM133080;CC(=O)CCCC(=N)N;XAQWVMCNYXHAPI-UHFFFAOYSA-N;128.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133081;MM133081;CONC(=O)C(=CF)CO;QKNDBHHNZKKRJJ-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133082;MM133082;Cc1ncn(O)c1C;IKPZBHAHPVPXIH-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133083;MM133083;C=C(F)CCCC(=O)O;QRLIWIAOVHMOKP-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133084;MM133084;C=C(C)CNCC(=N)N;KQYWARDLJOICRE-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133085;MM133085;N=C(N)CNCC(=N)N;QJQAPWWFWZPHPD-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133086;MM133086;N=C(N)CNCC(N)=O;VLPLPAOYKVSHEL-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133087;MM133087;C=C(F)CNCC(=C)F;XVGRFXFGJBQZEU-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133088;MM133088;C=C(C)COCC(N)=O;NPUSBQHVGIKIGD-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133089;MM133089;O=c1nc(NO)ccn1O;NFPVFXQEZGAPFA-UHFFFAOYSA-N;143.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133090;MM133090;N=C(N)COCC(=N)N;IPXHEUZPIPNTPR-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133091;MM133091;N=C(N)COCC(N)=O;YZSKLGKWDMWKPA-UHFFFAOYSA-N;131.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133092;MM133092;NC(=O)COCC(N)=O;CNDWHJQEGZZDTQ-UHFFFAOYSA-N;132.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133093;MM133093;C=C(F)COCC(N)=O;UMUBKOJUTACMED-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133094;MM133094;CCc1coc(C#N)c1O;CGNRYWONPWSACZ-UHFFFAOYSA-N;137.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133095;MM133095;ON=CNNC1CC1;BBRBOGNGVKIXMP-UHFFFAOYSA-N;115.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133096;MM133096;CC(=N)NCCC(C)=O;IDRJMQQMXWOIDE-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133097;MM133097;CC(=O)CCNC(=N)N;VUNFQOJHWNMKFQ-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133098;MM133098;CC(=O)CCNC(N)=O;IWQQKDUCMADDPG-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133099;MM133099;N=C(N)CCNC(=N)N;ASMGTONVFIUOHZ-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133100;MM133100;COC(=NO)C(F)=CF;IDLMJUDOUFOHEU-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133101;MM133101;C=C(F)CCNC(C)=N;KJHBUZHQJWQXSX-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133102;MM133102;C=C(F)CCNC(=N)N;PLQDZRIZKWZYJQ-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133103;MM133103;CC(=N)NNCC(C)=O;GAKXOSNXHJVQAD-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133104;MM133104;CC(=O)CNNC(N)=O;LQCIPGKOSWOHLV-UHFFFAOYSA-N;131.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133105;MM133105;N=C(N)CNNC(=N)N;CIRWTLRVIKZKPT-UHFFFAOYSA-N;130.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133106;MM133106;N=C(N)CNNC(N)=O;RQXJBEWUSXIAGR-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133107;MM133107;N=C(N)NNCC(N)=O;BPLIIZHACKMURE-UHFFFAOYSA-N;131.14;-2.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133108;MM133108;NC(=O)CNNC(N)=O;YEZXFZHXPYAIBU-UHFFFAOYSA-N;132.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133109;MM133109;Cn1cc(N)c(=O)nc1O;KKKKQVZKEFWOFS-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133110;MM133110;C=C(F)CNNC(C)=N;WKFAYLQADCQYAO-UHFFFAOYSA-N;131.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133111;MM133111;C=C(F)CNNC(C)=O;WZYGEPWLLZBVGR-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133112;MM133112;C=C(C)CONC(C)=O;LMXRPZCSWHENEK-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133113;MM133113;CC(=N)NOCC(C)=O;DTCNLFKTAZNLJN-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133114;MM133114;N=C(N)CONC(=N)N;CNKXGQGFEOGPDP-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133115;MM133115;N=C(N)CONC(N)=O;JCYPNGSJYSJJJG-UHFFFAOYSA-N;132.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133116;MM133116;N=C(N)NOCC(N)=O;IVHHBMZZYLGGDD-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133117;MM133117;NC(=O)CONC(N)=O;DUZVMWNZASNTQN-UHFFFAOYSA-N;133.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133118;MM133118;ON=CC(F)CC(F)F;DFPIZNMDZHQNOR-UHFFFAOYSA-N;141.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133119;MM133119;C=C(F)CONC(C)=N;MMMJHPFIRFQXMI-UHFFFAOYSA-N;132.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133120;MM133120;C=C(F)CONC(=N)N;KYFMCXAHVNXHQI-UHFFFAOYSA-N;133.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133121;MM133121;C=C(C)CCOC(C)=O;OCUAPVNNQFAQSM-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133122;MM133122;C=C(C)OCCC(C)=O;ATWZPWYUIOSCJM-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133123;MM133123;CC(=O)CCOC(=N)N;KDLCIQFADCDXEQ-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133124;MM133124;CC(=O)CCOC(N)=O;QCNATMKHGFPIMJ-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133125;MM133125;CC(=O)OCCC(=N)N;HACCBXXIAOUKFS-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133126;MM133126;N=C(N)CCOC(=N)N;XIXYYEYQSXTIIE-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133127;MM133127;N=C(N)CCOC(N)=O;IMZAENAQDRUWFL-UHFFFAOYSA-N;131.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133128;MM133128;N=C(N)OCCC(N)=O;IFSNVKOVPDWYTO-UHFFFAOYSA-N;131.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133129;MM133129;NC(=O)CCOC(N)=O;OPUJLVXNCSRBQE-UHFFFAOYSA-N;132.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133130;MM133130;C#CC#CC(O)C=NO;HVTREMQRIZUZOU-UHFFFAOYSA-N;123.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133131;MM133131;NC(=O)OCCC(=O)O;BGWBYNJRMSLSKB-UHFFFAOYSA-N;133.1;-0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133132;MM133132;C=C(F)CCOC(C)=O;ABTFKGSLCFDMMN-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133133;MM133133;C=C(F)CCOC(N)=O;KXPXLGNXRJBVOR-UHFFFAOYSA-N;133.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133134;MM133134;C=C(C)OCOC(=C)C;AVKDTJXQJCEFKA-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133135;MM133135;C=C(C)OCOC(C)=O;RAOIOESTCUPZFK-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133136;MM133136;C=C(C)OCOC(N)=O;SPHDFSPYKQPBSX-UHFFFAOYSA-N;131.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133137;MM133137;CC(=O)OCOC(=N)N;WXCOSAINTMCLDC-UHFFFAOYSA-N;132.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133138;MM133138;CC(=O)OCOC(N)=O;ZBYUCHKNRQMUCB-UHFFFAOYSA-N;133.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133139;MM133139;N=C(N)OCOC(=N)N;KKDZRERGQGURPM-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133140;MM133140;N=C(N)OCOC(N)=O;CCVFEQMNGYQAHY-UHFFFAOYSA-N;133.11;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133141;MM133141;NC(=O)OCOC(N)=O;FJFOVISFRWPXDB-UHFFFAOYSA-N;134.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133142;MM133142;CC(F)C=CCC(C)N;KOIVXZMQKOCAGB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133143;MM133143;CC(N)CC=CC(F)F;KLAPAUBGRVOXGT-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133144;MM133144;CC=CC(=O)NC=NC;GCLNNJOFIHKDHL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133145;MM133145;CN(O)C(=N)C(=O)NN;QGEYXHUMQPFYMS-UHFFFAOYSA-N;132.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133146;MM133146;CC(N)C=CCC(C)F;QOVQBYXNTGPSDT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133147;MM133147;CC(=NO)NNCCO;QSRNTMALRCWTKF-UHFFFAOYSA-N;133.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133148;MM133148;CC(F)C=CCC(C)F;GEXWVVFCXDGJDX-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133149;MM133149;CC(N)C=CCC(F)F;FWNNNVPNWIZZGK-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133150;MM133150;CNNC(=O)C1(O)CC1;ZPHUKMIEBYQFHF-UHFFFAOYSA-N;130.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133151;MM133151;CC(F)C=CCC(F)F;KXJUSUPFQIPBHI-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133152;MM133152;CC(C)C=NNC(C)C;ZCOSDMGEBMHBGJ-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133153;MM133153;CC(C)N=CNC(C)C;UBLPVUXFDNIPIV-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133154;MM133154;CC(C)C=NOC(C)C;LGAJNKYBNDCTLM-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133155;MM133155;CCC1C=CC(=NO)N1;PDSNGZCXBNNQMD-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133156;MM133156;C#CC(=O)NNCC(C)C;OFOKHVAHAWGBDR-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133157;MM133157;CC(C)CN=CN(C)C;HWEIPIXVVKGYFO-UHFFFAOYSA-N;128.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133158;MM133158;CC(C)CN=CN(C)N;DIUWNOFVCFNWSQ-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133159;MM133159;CC(N)CN=CN(C)C;LLVYUOFXVJEXJO-UHFFFAOYSA-N;129.21;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133160;MM133160;CC(F)CN=CN(C)C;POPKTJYHHFTPKQ-UHFFFAOYSA-N;132.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133161;MM133161;CC(C)CC=NN(C)C;QKKDAEBIXCQDKW-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133162;MM133162;CC(N)CC=NN(C)C;CCDFYTSAZHQWSO-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133163;MM133163;CN(C)N=CCC(F)F;BYWPPTREZFFLGM-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133164;MM133164;CC(O)C=CCN(C)C;PFJAJFCEEWPTLO-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133165;MM133165;CC(=O)C=CCC(C)C;RSNMTAYSENLHOW-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133166;MM133166;CC(C)CC=CC(=N)N;IZDUIJPOSPQKGD-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133167;MM133167;C=CC(=O)NC=NC(C)C;HZDLBHVTQRPOHO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133168;MM133168;CC(C)CC=CC(=O)O;FTHUQCQZQRXJLF-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133169;MM133169;C=C(C)C=CCC(C)N;XTXFSCOVFCYLKN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133170;MM133170;CC(N)CC=CC(N)=O;DGVULVVDLUVZPQ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133171;MM133171;C=C(F)C=CCC(C)N;HYZBYHCCPVNSBD-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133172;MM133172;CC(C=NNC(N)=O)=NN;XLCPEJWZJHXKKC-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133173;MM133173;CCC(N)=CC(=O)NC=N;ACLRIZAVOYHHSV-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133174;MM133174;CC(=O)C=CCC(C)F;AYASODIDUGBEAU-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133175;MM133175;CC(F)CC=CC(=N)N;XWDLMPACXGHJEF-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133176;MM133176;CC(F)CC=CC(=O)O;KFLWPURAQMIJBP-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133177;MM133177;C=C(C)C=CCC(F)F;CUGPRASFFXQGTL-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133178;MM133178;CC(=O)C=CCC(F)F;FCKWHZKZUGCNIG-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133179;MM133179;N=C(N)C=CCC(F)F;KJTRYPUCQLNGMD-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133180;MM133180;CC(C)NC=CC(=N)N;FJKZNENVORHFNJ-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133181;MM133181;CC(=NO)N(N)CC(C)O;SRCNXILTNQUICE-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133182;MM133182;C=C(C)C=NNC(C)C;VKUOHMZJVFLVNC-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133183;MM133183;C=C(C)C(C=C(C)N)=NO;NKUIDIBKYUVKOA-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133184;MM133184;Oc1cn[nH]c1;KAUABWYBFARJAF-UHFFFAOYSA-N;84.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133185;MM133185;C=C(F)C=NNC(C)C;GDFFLULXKRTOQD-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133186;MM133186;CC(=N)NC=NC(C)C;GINJZAFOZXYNQO-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133187;MM133187;CC(C)N=CNC(=N)N;KGBOGHZHIYRESW-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133188;MM133188;CC=CC(=O)NC=NCC;QDTPTGNWUOVVRY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133189;MM133189;CC(=O)C=COC(C)C;YWUDSTZCDSLKEQ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133190;MM133190;N=C(CC#CCF)NC=O;WMYSBPRUSMZSLX-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133191;MM133191;CC(O)C(=NO)C(F)=CN;ZUUOWHMUPVRGHP-UHFFFAOYSA-N;148.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133192;MM133192;CN(C)CC=CC(=N)N;QCNSGCJHILOLSO-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133193;MM133193;CN(C)CC=CC(N)=O;YLUGQOCWOPDIMD-UHFFFAOYSA-N;128.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133194;MM133194;CC(=N)NC=NN(C)C;DAHUSMGEQTUJTG-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133195;MM133195;CN(C)N=CNC(=N)N;ZVXWJGLSMKEGJB-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133196;MM133196;CN(C)N=CNC(N)=O;GASJUGCUHLAYFX-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133197;MM133197;C=C(C)CC=CC(C)N;MYPFNHBDNRXXNG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133198;MM133198;CC(C)C=CCC(=N)N;FTIAWBRDHZHZLE-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133199;MM133199;CC(F)C=CCC(=N)N;ZMGWJONOFHCYQN-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133200;MM133200;CC(C)C=CCC(N)=O;NKZKIOUNRVDOIG-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133201;MM133201;CC(N)C=CCC(N)=O;AHZBJERPVBPDOS-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133202;MM133202;NC(=O)CC=CC(F)F;YZOUIKZAPBSZLV-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133203;MM133203;CC(=N)NC=CC(C)C;SCFOYHDVBGRZST-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133204;MM133204;CC(=O)NC=CC(C)C;AZIXRESYCFVBST-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133205;MM133205;CC(=O)NC=CC(C)N;NBHMZNJJNKVMSN-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133206;MM133206;CC(=O)NC=CC(C)F;UUSQWQJAPUIRKC-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133207;MM133207;CC(=O)NC=CC(F)F;CNAPPYUMDVHTAE-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133208;MM133208;CC(N)C=CNC(N)=O;XPZZPALZJUDMON-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133209;MM133209;CC(O)C=CNC(N)=O;LRGPCQQQLDAPJR-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133210;MM133210;CC(=O)NN=CC(C)C;JQPAOGJTPACAPO-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133211;MM133211;CC(=O)NN=CC(C)F;PIPZKFPZMHSITC-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133212;MM133212;CC(N)C=NNC(=N)N;VRTFPWJFQRUCEC-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133213;MM133213;CC(O)C=NNC(=N)N;QHXJOIPJSSGRCU-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133214;MM133214;CC(C)C=NNC(N)=O;DUIOYNRUZBUMMS-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133215;MM133215;CC(N)C=NNC(N)=O;MGYXXKYBIIAWIT-UHFFFAOYSA-N;130.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133216;MM133216;CC(O)C=NNC(N)=O;PBPVOPVDUKBHSZ-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133217;MM133217;C=C(C)OC=CC(C)C;QXKMOGSQZVSRTR-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133218;MM133218;C=C(C)OC=CC(C)O;UHPZBVPMRFWHQX-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133219;MM133219;C=C(C)OC=CC(C)F;UHMLIWSDSUDUHD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133220;MM133220;CC(=O)OC=CC(C)O;QBEJZNMUWONRBB-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133221;MM133221;CC(=O)ON=CC(C)C;WEOKGGCAWHFKCG-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133222;MM133222;C=CC(=NO)C(C)=C(C)N;MBOHNXZCVZUZDF-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133223;MM133223;Cc1cn(CC#N)nc1C;NCYCORUQTXVSFD-UHFFFAOYSA-N;135.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133224;MM133224;CC(N)C=NOC(N)=O;NTUHMPBOHPYBEZ-UHFFFAOYSA-N;131.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133225;MM133225;CC(O)C=NOC(N)=O;WVYORFSMAPTQAF-UHFFFAOYSA-N;132.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133226;MM133226;C=C(C)CN=CN(C)C;UQKIBWITCCBLTN-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133227;MM133227;CN(O)C=NCC(=N)N;RCRMGPNIGITLLV-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133228;MM133228;CCCc1cn(N)c(O)n1;WENMIBGGGOOIQN-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133229;MM133229;C=C(F)CN=CN(C)C;PZIAGKVKYYPNLP-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133230;MM133230;CN(C)N=CCC(=N)N;FLRRPKIITFURCP-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133231;MM133231;C=CC(CCC(=C)C)=NO;SAFIUZFRQLVLLX-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133232;MM133232;C=C(F)CC=NN(C)C;ICERLCCLIBWJOW-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133233;MM133233;CN(C)C=NNC(=N)N;ZZXSIWCZVLCDER-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133234;MM133234;CN(C)C=NNC(N)=O;VNPGYTPQLLVOSB-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133235;MM133235;CC(=O)ON=CN(C)C;BOBGDTLLXNVNHU-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133236;MM133236;CN(C=N)C(=O)C(F)CF;BISUVUYOPZIENQ-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133237;MM133237;C=C(C)OC=NN(C)C;IVJLUXWJLBHGQR-UHFFFAOYSA-N;128.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133238;MM133238;C=C(CC)C(=C)C(C)=NO;BUFZDTLKULONEB-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133239;MM133239;C=C(C)CC=CC(C)=O;UKMXQNRPGKVUSN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133240;MM133240;C=C(C)CC=CC(=N)N;SHZONQDWJXMDSJ-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133241;MM133241;C=C(C)CC=CC(=O)O;PGPPPGMGBSZVPY-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133242;MM133242;CC(=O)CC=CC(=N)N;SJJAUYXSCVFKDD-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133243;MM133243;CCC=CC(=O)NC=NC;GQWWBPQXAFUSET-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133244;MM133244;CC(=O)C=CCC(=N)N;MUMFUDDRNTVSCI-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133245;MM133245;C=C(C)C=CCC(N)=O;CJACNHQJUBKVOT-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133246;MM133246;Cc1nn(O)c(=O)n1N;RYIITNPYDBQFSG-UHFFFAOYSA-N;130.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133247;MM133247;Cn1c(=NN)oc(=O)n1O;VTEKWVGOAAHJLN-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133248;MM133248;O=C(O)C=CCC(=O)O;XVOUMQNXTGKGMA-UHFFFAOYSA-N;130.1;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133249;MM133249;C=C(F)CC=CC(C)=O;SEVYZLNQBKMSSH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133250;MM133250;C=C(F)CC=CC(=N)N;QMDKNIBXZKFWKH-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133251;MM133251;COCCN(N)C(C)=NO;WPRNCJAMDGHFRQ-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133252;MM133252;C=C(C)C=CNC(C)=N;GIDOAPLGFMZQMF-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133253;MM133253;CC(=N)NC=CC(C)=O;CQKCRTKHDHBREJ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133254;MM133254;C=C(F)C=CNC(C)=N;BBSCAWPCXOQMOA-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133255;MM133255;C=C(C)C=CNC(C)=O;OZUYKUNEZZLLNA-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133256;MM133256;CC(=O)C=CNC(C)=O;KYAPNTAECVGANR-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133257;MM133257;Cn1nc(NN)cc1O;NVKHHXXDPQXTTR-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133258;MM133258;C=C(F)C=CNC(C)=O;IINWZTONFVBPRU-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133259;MM133259;CC(=O)C=CNC(=N)N;CKBXJQOPVLYZJS-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133260;MM133260;N=C(N)C=CNC(=N)N;VQNUDRUSSVITAM-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133261;MM133261;N=C(N)NC=CC(N)=O;HWNIRFRJWGWYHN-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133262;MM133262;C=C(C)C=CNC(N)=O;VQWDUGNUIRIWKV-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133263;MM133263;N=C(N)C=CNC(N)=O;KILCAOFNNSDOGR-UHFFFAOYSA-N;128.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133264;MM133264;C=C(F)C=CNC(N)=O;LNDVWWFPXACAAQ-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133265;MM133265;CC(=N)NN=CC(=N)N;MLEVSCUOVMHFCB-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133266;MM133266;CC(=O)NN=CC(=N)N;GKLICXWKFGCXKQ-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133267;MM133267;CC(=O)C=NNC(=N)N;AHBOKRTUKVERMX-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133268;MM133268;N=C(N)C=NNC(=N)N;DOJLKSNJZPULTO-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133269;MM133269;C=C(C)C=NNC(N)=O;CILPVCMXGYDNKI-UHFFFAOYSA-N;127.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133270;MM133270;C=C(F)C=NNC(N)=O;RKCQLTIPVDARKX-UHFFFAOYSA-N;131.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133271;MM133271;C=C(C)N=CNC(C)=O;VQQCPQSBELYQPN-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133272;MM133272;CC(=NO)N(C)NCCO;NYAJUDDVPBKOTN-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133273;MM133273;CC(=N)N=CNC(C)=O;BGLSRRSSMUCHTG-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133274;MM133274;CC(=N)NC=NC(=N)N;LXMZVIIPXBGUET-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133275;MM133275;CC(=O)NC=NC(=N)N;FUFMTGOSVXXMBL-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133276;MM133276;CC(=O)N=CNC(N)=O;VEFAHWMXEJRZTH-UHFFFAOYSA-N;129.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133277;MM133277;N=C(N)N=CNC(=N)N;HMTDNDDIMJQNQO-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133278;MM133278;N=C(N)N=CNC(N)=O;TWCMBCNKRMVMHL-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133279;MM133279;NC(=O)N=CNC(N)=O;JUMKGYUEKMFOGQ-UHFFFAOYSA-N;130.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133280;MM133280;C=C(C)OC=CC(C)=O;RBAJWEMLGTVSOP-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133281;MM133281;C=CC(C)CC=CC=NO;GFNGHZTVFFMNGO-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133282;MM133282;CC(=NO)C(F)C(=N)NO;JDWIHFQIUQFYDT-UHFFFAOYSA-N;149.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133283;MM133283;C=C(F)C=COC(C)=O;TXOQOXXXXJKBMJ-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133284;MM133284;CC(=O)ON=CC(N)=O;WDQJLNGALHRQPL-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133285;MM133285;NN=c1[nH]c(O)nn1N;CAHLFJUHUBHUDG-UHFFFAOYSA-N;130.11;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133286;MM133286;C=C(F)C=NOC(N)=O;DSYDHEOXBSJVOU-UHFFFAOYSA-N;132.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133287;MM133287;CC(C)C#CCC(C)C;PDZCESXHZWBABW-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133288;MM133288;CC(N)C#CCC(C)C;IEOKJQOLTQVGOG-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133289;MM133289;CC(O)C#CCC(C)C;SGIOPDOYXBGFKY-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133290;MM133290;CC(F)C#CCC(C)C;ASKLXONDJABFRL-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133291;MM133291;CC(C)CC#CC(F)F;CDXHBTRIXGPGTQ-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133292;MM133292;CC(C)C#CCC(C)N;FSCYAEHCKIEWOA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133293;MM133293;CC(N)C#CCC(C)N;UNEVGHPXOVBDQQ-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133294;MM133294;CC(O)C#CCC(C)N;OEBLBSFWAIARBM-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133295;MM133295;CC(N)CC#CC(F)F;JZUVUEWNMQQGFA-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133296;MM133296;CC(N)C#CCC(C)O;JLHKYBWIHFMION-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133297;MM133297;CC(F)C#CCC(C)O;GNIWNQIUHRUTQC-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133298;MM133298;CC(N)C#CCC(C)F;VZLMEOAWGYQHNC-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133299;MM133299;CC(F)C#CCC(C)F;VGTTXUNKEBEGPE-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133300;MM133300;CC(F)CC#CC(F)F;JHRNRNHXOXNAOK-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133301;MM133301;CC(C)C#CCC(F)F;RZPNTFWINCDDIE-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133302;MM133302;CC(N)C#CCC(F)F;BMJRNFUCDRYIFX-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133303;MM133303;CC(O)C#CCC(F)F;MNJISNBQBSWIDF-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133304;MM133304;FC(F)C#CCC(F)F;WDKQZYDCWKTJLO-UHFFFAOYSA-N;140.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133305;MM133305;C=C(C)C#CCC(C)C;XMPNFCDUTYLRHP-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133306;MM133306;CC(=O)C#CCC(C)C;FBCWWQPKEBOSEN-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133307;MM133307;CC(C)CC#CC(=O)O;NHJCJHLLXPCTFN-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133308;MM133308;C=C(C)C#CCC(C)N;FBGAAOQTHLLCIZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133309;MM133309;CC(N)CC#CC(=N)N;HLACFPRSIKUHST-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133310;MM133310;CC(N)CC#CC(N)=O;XPTJMJFBWNZIPK-UHFFFAOYSA-N;126.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133311;MM133311;CC(=NO)NCC#CCO;GHALZFCGUMXLKX-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133312;MM133312;CC(=O)C#CCC(C)O;SYZZCPLFAFYKIT-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133313;MM133313;CC(=O)C#CCC(C)F;OUBJDMHNMSPTSC-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133314;MM133314;CC(F)CC#CC(=O)O;FLOWFXRPYMLQEF-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133315;MM133315;C=C(F)C#CCC(C)F;TYQWVDXEFFYIAI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133316;MM133316;C=C(C)C#CCC(F)F;OJEGOKZYWYRNOD-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133317;MM133317;CC(=O)C#CCC(F)F;BKKXTDMBYQXCNH-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133318;MM133318;NC(=O)C#CCC(F)F;NRGZXDNDRTUYLL-UHFFFAOYSA-N;133.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133319;MM133319;CN(C)CC#CC(=N)N;KJWNZIGCUQBODF-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133320;MM133320;C=C(C)CC#CC(C)C;AYJIWVDLQZJMGB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133321;MM133321;C=C(C)CC#CC(C)N;LOBPIYSSRSNANQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133322;MM133322;C=C(C)CC#CC(C)O;QIZVMQHSOCNHKV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133323;MM133323;C=C(C)CC#CC(C)F;ULCVOOFARLUMGC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133324;MM133324;C=C(C)CC#CC(F)F;AUNXDJSDJDOKSW-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133325;MM133325;CC(=O)CC#CC(C)C;HORRWMXDKUSRSS-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133326;MM133326;CC(=O)CC#CC(C)F;YFGYQSDJJCPLOS-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133327;MM133327;CC(=O)CC#CC(F)F;SJYMGEYTTIPBAH-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133328;MM133328;CC(C)C#CCC(=N)N;MMJGBRUNLCFZRI-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133329;MM133329;CC(N)C#CCC(=N)N;IXRIODRHQIOJMB-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133330;MM133330;CC(O)C#CCC(=N)N;LVPCHWYWTBPXJA-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133331;MM133331;CC(F)C#CCC(=N)N;CIDGIISEZWNCMQ-UHFFFAOYSA-N;128.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133332;MM133332;N=C(N)CC#CC(F)F;YKOOEVGQOAFXON-UHFFFAOYSA-N;132.11;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133333;MM133333;CC(C)C#CCC(N)=O;DFLXUQUNVGSTSD-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133334;MM133334;CC(O)C#CCC(N)=O;KQNBLLRXZFUDKX-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133335;MM133335;CC(C)C#CCC(=O)O;GPABEWPBBKOULI-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133336;MM133336;CC(F)C#CCC(=O)O;VJUMMPKILYYCJM-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133337;MM133337;C=C(F)CC#CC(C)C;IQMHYMZRSUIMFZ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133338;MM133338;C=C(F)CC#CC(C)N;SPTREBPECCOYLQ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133339;MM133339;C=C(F)CC#CC(C)O;WEVGWBVIQZKSSC-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133340;MM133340;C=C(F)CC#CC(C)F;NRECUFMBMFLTGS-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133341;MM133341;C=C(F)CC#CC(F)F;XPCIIICLUDEKDC-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133342;MM133342;C=C(C)C#CCC(=C)C;YUMSHJVNLNEXBQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133343;MM133343;C=C(C)CC#CC(C)=O;PUFOWOSJYHAUDH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133344;MM133344;C=C(C)CC#CC(=O)O;NNAMIKAGFKAFCF-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133345;MM133345;C=C(C)C#CCC(C)=O;MPGICJUIIYAQEA-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133346;MM133346;CC(=O)C#CCC(C)=O;VGMSDNNHNVSXEL-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133347;MM133347;N#Cc1ccn(O)c(=O)n1;BMMRJHPLXGEEQE-UHFFFAOYSA-N;137.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133348;MM133348;C=C(F)C#CCC(C)=O;NWHBSVMSEOMFDC-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133349;MM133349;C=C(C)C#CCC(=N)N;BWIACTUQXBTKRT-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133350;MM133350;N=C(N)C#CCC(=N)N;KONUBMLLUDQTPC-UHFFFAOYSA-N;124.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133351;MM133351;N=C(N)CC#CC(N)=O;UDZIFISBARKGPD-UHFFFAOYSA-N;125.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133352;MM133352;C=C(C)C#CCC(N)=O;RBZCRUOHNXHFQC-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133353;MM133353;N=C(N)C#CCC(N)=O;NXDNKDBBFSBERL-UHFFFAOYSA-N;125.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133354;MM133354;NC(=O)C#CCC(N)=O;YGXIWIVYSJRGLP-UHFFFAOYSA-N;126.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133355;MM133355;Oc1c(F)[nH]c(F)c1F;YAZZOKMKPKUEDC-UHFFFAOYSA-N;137.06;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133356;MM133356;C=C(C)C#CCC(=O)O;QSARLBPOUAPDOA-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133357;MM133357;O=c1[nH]ncn1O;WJFAFECPQZOLRG-UHFFFAOYSA-N;101.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133358;MM133358;C=C(C)C#CCC(=C)F;AIWQOARFKZTNOI-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133359;MM133359;C=C(F)CC#CC(C)=O;SZBSFPYEDBMAHW-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133360;MM133360;C=C(F)CC#CC(=O)O;PEQFYJLTXKVEBC-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133361;MM133361;CC(N)CCC=C(F)F;QMJHKVNJHJGFTI-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133362;MM133362;CC(C)=COCC(C)N;WLPMJSPCZZNNLL-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133363;MM133363;CC(F)=COCC(C)N;HIQZTMXTJAJACF-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133364;MM133364;CC(N)COC=C(F)F;UFFVNPATPPOMCM-UHFFFAOYSA-N;137.13;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133365;MM133365;CC(C)=COCC(C)O;DJPVVVLYJIOZNV-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133366;MM133366;CC(F)=COCC(C)O;FQINCFLXYCAMJB-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133367;MM133367;CC(O)COC=C(F)F;ZFYXUNMTXVUPBD-UHFFFAOYSA-N;138.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133368;MM133368;CC(F)=COCC(C)F;RGKDMWMRMWMQTB-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133369;MM133369;CC(F)=COCC(F)F;CBSSJWWZRJDLJI-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133370;MM133370;CC(C)=NNCC(C)C;DFGCYHXVGLWPCQ-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133371;MM133371;CC(C)=NNCC(C)F;DIHVPDSNWMYAGJ-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133372;MM133372;CC(C)=NOCC(C)N;RIHHOGUJYLHKBS-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133373;MM133373;C=CCNC1CC1(O)C#N;BRFGPDAKWWTMLR-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133374;MM133374;CC(C)=NOCC(C)F;KOEBVCNGRZFODY-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133375;MM133375;CC(C)=NOCC(F)F;IDARSFPVRPOKKL-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133376;MM133376;CC(C)=CCNC(C)C;GIWNGUNMSLDMDG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133377;MM133377;CC(F)=CCNC(C)C;UUAPQEWMSXFIQQ-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133378;MM133378;CC(C)NCC=C(F)F;SKRKFLSDZJOKFE-UHFFFAOYSA-N;135.16;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133379;MM133379;CC(C)=CCCC(=N)N;YQJKXTDBBDRQDX-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133380;MM133380;NC(=O)CCC=C(F)F;JJDWBWOULRSGCY-UHFFFAOYSA-N;135.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133381;MM133381;CC(C)=CCCC(=O)O;YJJLHGCCADOOPZ-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133382;MM133382;CC(F)=CCCC(=O)O;NJNVGIKKRWYQQB-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133383;MM133383;CC(C)=COCC(=N)N;MNVNKWXUCPLNBH-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133384;MM133384;NC(=O)COC=C(F)F;KLUVNYDUBCHHGL-UHFFFAOYSA-N;137.09;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133385;MM133385;O=CCc1nc(=O)cn[nH]1;IDLVTNJZNKWNKV-UHFFFAOYSA-N;139.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133386;MM133386;O=c1cc(O)oc(CO)c1;NHGXPSMNBTVHKR-UHFFFAOYSA-N;142.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133387;MM133387;C=C(F)COC=C(C)F;FRXFXFNUHKMLDT-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133388;MM133388;CC(C)=NNCC(=N)N;ODMLMLLUBYSZAU-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133389;MM133389;N#CC1(O)CC1NCC=O;QRANQLPGNOYGLJ-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133390;MM133390;C#CC#Cc1nc(O)no1;AEYFOALYGRINQJ-UHFFFAOYSA-N;134.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133391;MM133391;C=C(F)CNN=C(C)C;GPWRVCGBDAQHJB-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133392;MM133392;C=C(C)CON=C(C)C;WIHITNRKEWMBML-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133393;MM133393;CC(C)=NOCC(=N)N;DWOBDZQTKUPNGS-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133394;MM133394;CCCC(=NO)NCCF;FUFJPEJKDBOOJW-UHFFFAOYSA-N;148.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133395;MM133395;C=C(F)CON=C(C)C;HZDVCEWODKRSMQ-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133396;MM133396;CC(=N)NCC=C(F)F;MNXYVFVUDDTFQI-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133397;MM133397;CCCc1c[nH]c(OC)n1;GLPXHCHGVVIXFI-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133398;MM133398;CC(=O)NCC=C(C)F;QGCMNFWONPBKTK-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133399;MM133399;CC(F)=CCNC(=N)N;YEJJHMLZPMXVJY-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133400;MM133400;N=C(N)NCC=C(F)F;ALJMEDXLBFVNFR-UHFFFAOYSA-N;135.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133401;MM133401;CC(=O)OCC=C(C)C;XXIKYCPRDXIMQM-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133402;MM133402;CC(=O)OCC=C(C)F;JTUQJRITNVSRCY-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133403;MM133403;CC(C)=CCOC(N)=O;NRHIJLHWYJFFSK-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133404;MM133404;CC(F)=CCOC(N)=O;PXZHGHVMNCQDBK-UHFFFAOYSA-N;133.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133405;MM133405;CC(C)=CC=CC(C)C;HQTKNGJJNNTBLG-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133406;MM133406;CC(F)=CC=CC(C)C;NYAJMAUAHPVUDU-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133407;MM133407;CC(C)C=CC=C(F)F;TZUXNEHOYFJKPE-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133408;MM133408;CCCC1=CC(=NO)CC1;ACFNYBJBCNHHFF-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133409;MM133409;C=NN1C(C)C1C(O)C#N;AXDVYEVLUODELV-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133410;MM133410;CN(C=NO)CC=O;IGWMCPRVIZUFSX-UHFFFAOYSA-N;116.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133411;MM133411;CC(C)=CC=CC(C)F;UNNUJKOHMPZVNR-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133412;MM133412;CC(C)=NN=CC(C)O;KODZEAZPHARXQT-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133413;MM133413;CC(C)=NN=CC(F)F;UPLQLYXEBICLMD-UHFFFAOYSA-N;134.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133414;MM133414;CC(C)=NN=CN(C)C;BBXOXENTLXFMOG-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133415;MM133415;CC(C)=CC=NN(C)C;KZFYEQGUCXROPI-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133416;MM133416;CC(F)=CC=NN(C)C;XXUQURWLWHMCTM-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133417;MM133417;CN(C)N=CC=C(F)F;MIKPYCRZDOHSFX-UHFFFAOYSA-N;134.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133418;MM133418;C=C(C)C=CC=C(F)F;QPSUZBVMIXOAOM-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133419;MM133419;CC(=O)C=CC=C(C)F;ZGVSOSMNTXNJNV-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133420;MM133420;CC(=O)C=CC=C(F)F;UOQMKHUDTSBOIQ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133421;MM133421;N=C(N)C=CC=C(F)F;PEOPNGVKSPOTBA-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133422;MM133422;O=C(O)C=CC=C(F)F;NBPZFEDGXRTKAG-UHFFFAOYSA-N;134.08;1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133423;MM133423;C=C(F)C=CC=C(C)C;COFHCUUPMCADCC-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133424;MM133424;CC(=O)C=NN=C(C)C;MJQGEZPMQJHQNV-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133425;MM133425;CC(C)=CC#CC(C)C;LJAMEANGTCUGTB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133426;MM133426;CC(F)=CC#CC(C)C;JVFWJNXDOKQJHT-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133427;MM133427;CC(C)=CC#CC(C)N;IOKRVMIWSQUOCT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133428;MM133428;CC(F)=CC#CC(C)N;MKWAXIFTWWZKKM-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133429;MM133429;CC(C)=CC#CC(C)O;NLSCIAGDGINUAU-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133430;MM133430;CC(F)=CC#CC(C)O;NAFPHNGRUXOLGC-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133431;MM133431;CC(C)=CC#CC(C)F;PWUPOWRGOBXAGP-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133432;MM133432;CC(F)=CC#CC(C)F;ITGYZDLBTVWNCR-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133433;MM133433;CC(C)=CC#CC(F)F;UJKXMZXYXGNLEB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133434;MM133434;CC(F)=CC#CC(F)F;DZCLHDMOIBSITF-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133435;MM133435;C=C(C)C#CC=C(C)C;VTBNUJRVSZNXRS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133436;MM133436;C=C(C)C#CC=C(C)F;FZBQPJPOFIHMOP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133437;MM133437;CC(=O)C#CC=C(C)C;DQASYXPOVOHHTE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133438;MM133438;CC(=O)C#CC=C(C)F;PUKQUSDUMPZZEW-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133439;MM133439;CC(=O)C#CC=C(F)F;YOUILHRPLRVYOD-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133440;MM133440;CC(F)=CC#CC(=N)N;OELWLMAGIVMUDL-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133441;MM133441;N=C(N)C#CC=C(F)F;CXHUKEJMMVEXBB-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133442;MM133442;CC(F)=CC#CC(N)=O;AUNSMRFTYNLEOP-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133443;MM133443;NC(=O)C#CC=C(F)F;YIGOVGRCZOOGQB-UHFFFAOYSA-N;131.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133444;MM133444;CC(C)=CC#CC(=O)O;HNBXJGOPCAZLQA-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133445;MM133445;CC(F)=CC#CC(=O)O;XROOFAGEXLOPCZ-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133446;MM133446;CC(C)=CCC=C(C)F;WDEXTPJIKRXPOP-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133447;MM133447;CC(C)=CCC=C(F)F;GMVVYMDNIQXFGX-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133448;MM133448;CC(F)=COC=C(C)F;ZRZCLVUHWIQCQO-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133449;MM133449;CC(F)=COC=C(F)F;WEVXFISOERPXBN-UHFFFAOYSA-N;138.09;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133450;MM133450;FC(F)=COC=C(F)F;MNCPYCODYCPASZ-UHFFFAOYSA-N;142.05;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133451;MM133451;CC(C)CC(C)C(C)C;ODGLTLJZCVNPBU-UHFFFAOYSA-N;128.26;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133452;MM133452;CC(N)CC(C)C(C)C;MENJVFGNTCZWMY-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133453;MM133453;N=CNC(=O)C=CN;QGJSGBCYKLOURJ-UHFFFAOYSA-N;113.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133454;MM133454;CC(F)CC(C)C(C)C;IEYKZYGTUVHQDT-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133455;MM133455;CC(C)C(C)CC(F)F;ZPKVPCVTMWRMNP-UHFFFAOYSA-N;136.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133456;MM133456;CC(C)CC(C)C(C)N;ULBFEUQYTNPFOY-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133457;MM133457;CC(O)CC(C)C(C)N;KPEVULPMUHXMEX-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133458;MM133458;CC(F)CC(C)C(C)N;GBUGNXRURYEAPF-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133459;MM133459;C=CC(=O)NC=NC;DZYUAOXWPNFVSO-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133460;MM133460;CC(N)CC(C)C(C)O;NEXHRNMZJCUMNH-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133461;MM133461;CC(O)CC(C)C(C)O;PMORVUNYTOZCSE-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133462;MM133462;CC(O)C(C)CC(F)F;FLOTTWZOLKLPBB-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133463;MM133463;CC(C)CC(C)C(C)F;CCCRDWXPFLDODC-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133464;MM133464;CC(N)CC(C)C(C)F;ABQPICAPEAGZQM-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133465;MM133465;CC(O)CC(C)C(C)F;OTIYONQFJMMURO-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133466;MM133466;CC(C)CC(C)C(F)F;BFYLUMPUYWSVHL-UHFFFAOYSA-N;136.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133467;MM133467;CC(N)CC(C)C(F)F;AVXUHOOTQSMSTM-UHFFFAOYSA-N;137.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133468;MM133468;CC(O)CC(C)C(F)F;FKPMRTIZGROTFE-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133469;MM133469;CC(F)CC(C)C(F)F;CBODNMXNZFYSCE-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133470;MM133470;CC(CC(F)F)C(F)F;IUHXCIAYBWULSP-UHFFFAOYSA-N;144.11;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133471;MM133471;CC(C)CC(N)C(C)C;YRULFMGMFMJSPH-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133472;MM133472;CC(O)CC(N)C(C)C;PXPCZNWZCFUIEX-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133473;MM133473;CC(F)CC(N)C(C)C;DVVDVOWVZBCNEG-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133474;MM133474;CC(C)CC(N)C(C)N;VQEILVWVKJVEAJ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133475;MM133475;CC(N)CC(N)C(C)N;ASGWRKPTTGRXFJ-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133476;MM133476;CC(O)CC(N)C(C)N;YSARVTPOXWUTKR-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133477;MM133477;CC(F)CC(N)C(C)N;VYMVPLYFTPFLIX-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133478;MM133478;CC(N)C(N)CC(F)F;OGTCVKHHOPWUDA-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133479;MM133479;CC(N)CC(N)C(C)O;LHFGBVSDYNIGRD-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133480;MM133480;CC(C)CC(N)C(C)F;XPKPDLUXDVFJDY-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133481;MM133481;CC(F)CC(N)C(C)F;DWRIGPIAZTZGNL-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133482;MM133482;CC(F)C(N)CC(F)F;LTYUKOQSLVMGIP-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133483;MM133483;CC(N)CC(N)C(F)F;XZRVWAIITDFARR-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133484;MM133484;CC(C)(C)C=CC=NO;ZGJBJDMSRYRMQV-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133485;MM133485;CC(N)CC(O)C(C)C;BGFHPHPZFJRJJZ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133486;MM133486;CC(O)CC(O)C(C)C;YRDZJWZHGKDMBL-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133487;MM133487;CC(F)CC(O)C(C)C;LWXQDXJEHXTSAK-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133488;MM133488;CC(C)CC(O)C(C)N;AJGWEVDJSFFEDY-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133489;MM133489;CC(O)CC(O)C(C)N;DSZMANWONVASJD-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133490;MM133490;CC(N)C(O)CC(F)F;SRFQWXXDOXRXCG-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133491;MM133491;CC(C)CC(O)C(C)O;TZTVPRXOBDHAMM-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133492;MM133492;CC(N)CC(O)C(C)O;WNMJYSLKBIZVEL-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133493;MM133493;CC(O)CC(O)C(C)O;PUXPSUBLYDOJNF-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133494;MM133494;CC(F)CC(O)C(C)O;LJPZSKUEEBYGKM-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133495;MM133495;CC(O)C(O)CC(F)F;LCITWZNRMXYJLL-UHFFFAOYSA-N;140.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133496;MM133496;OC(CC(F)F)C(F)F;CYAUIWFKJRZWCN-UHFFFAOYSA-N;146.08;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133497;MM133497;CC(C)CC(F)C(C)C;QNIIMEJCHZTVDR-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133498;MM133498;CC(O)CC(F)C(C)C;MMLNENLGNIYMDW-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133499;MM133499;CC(F)CC(F)C(C)C;MTMXCBZZUZWFPQ-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133500;MM133500;CC(C)C(F)CC(F)F;VUKPGCAFTLURRN-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133501;MM133501;CC(C)CC(F)C(C)N;JFLUFEROQAPHGX-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133502;MM133502;CC(N)C(F)CC(F)F;NIZOGHRGDXMWQN-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133503;MM133503;CC(F)CC(F)C(C)O;KVRZRISEQRILSY-UHFFFAOYSA-N;138.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133504;MM133504;CC(O)C(F)CC(F)F;XCUNSQRQZMTNSE-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133505;MM133505;CC(N)CC(F)C(C)F;IWGIXLUTJQTJCM-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133506;MM133506;CC(O)CC(F)C(C)F;IDVWYHPJIBRGIH-UHFFFAOYSA-N;138.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133507;MM133507;CC(F)CC(F)C(C)F;UIVYGFRGFLXHCE-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133508;MM133508;CC(F)C(F)CC(F)F;WQWHHKHFTOFXNT-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133509;MM133509;CC(C)CC(F)C(F)F;RGENLVFPVCQOSS-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133510;MM133510;CC(N)CC(F)C(F)F;HWRFNLQYSUUWMG-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133511;MM133511;CC(F)CC(F)C(F)F;MRZYRISOEBSZIT-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133512;MM133512;FC(F)CC(F)C(F)F;UXCPFEVTZCJLCW-UHFFFAOYSA-N;148.07;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133513;MM133513;CC(C)OC(C)C(C)C;UUMOVDMUHSSRJX-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133514;MM133514;CC(C)OC(C)C(C)N;XLEHQLGCTLZEIW-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133515;MM133515;CC(C)OC(C)C(C)O;UMVIUWQZNBFXMG-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133516;MM133516;CC(C)C(C)CN(C)C;UUNYEIOZFZFFNJ-UHFFFAOYSA-N;129.25;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133517;MM133517;CC(F)C(C)CN(C)C;GOJBBIFOMMCEMT-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133518;MM133518;CC(N)C(N)CN(C)C;VDXICYLAIQPKGH-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133519;MM133519;CC(O)C(N)CN(C)C;ILKHGWXKWIEFEI-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133520;MM133520;CC(N)C(O)CN(C)C;LALUDDQFOZWNMS-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133521;MM133521;CC(F)C(O)CN(C)C;FGMCTHYPYXVRJL-UHFFFAOYSA-N;135.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133522;MM133522;CC(C)CC(C)N(C)C;RIIKCJPGUCYPQY-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133523;MM133523;CC(O)CC(C)N(C)C;NTZBBKXYBTYXIC-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133524;MM133524;CC(F)CC(C)N(C)C;AXZXILIIMKRARF-UHFFFAOYSA-N;133.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133525;MM133525;CC(CC(F)F)N(C)C;AMPIUBRCWSCZGB-UHFFFAOYSA-N;137.17;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133526;MM133526;CC(C)CN(C)C(C)C;NEUPKMUVAZVNEL-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133527;MM133527;CC(F)CN(C)C(C)C;SZYUUAMSIWLGQF-UHFFFAOYSA-N;133.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133528;MM133528;C=C(C)CC(C)C(C)C;ZKODDUVUECKSQS-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133529;MM133529;CC(=O)CC(C)C(C)C;SNHWHSSUBMGTOS-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133530;MM133530;CC(C)C(C)CC(=N)N;POTNOZLIFVDMLZ-UHFFFAOYSA-N;128.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133531;MM133531;C#CC(F)CC(=O)NN;BHWYAXZZGAGNGH-UHFFFAOYSA-N;130.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133532;MM133532;CC(C)C(C)CC(=O)O;GETAKGOKCSRVLZ-UHFFFAOYSA-N;130.19;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133533;MM133533;C=C(F)CC(C)C(C)C;XRTLIJPAGAEBQS-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133534;MM133534;C=C(C)CC(C)C(C)N;OZRPNQXQWYASRA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133535;MM133535;CC(N)C(C)CC(N)=O;XOSBHLSNBIYOKD-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133536;MM133536;C=C(F)CC(C)C(C)N;DXSJLVRFPIWVJK-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133537;MM133537;CC1NC1C(C)(O)C#N;YSIRSXICMSUBBK-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133538;MM133538;CC(O)C(C)CC(=N)N;QQNODDPLKSLFQJ-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133539;MM133539;CC(O)C(C)CC(N)=O;HJKDMLZDUFWZQX-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133540;MM133540;C=C(F)CC(C)C(C)O;JXBGCVAOTHNNHV-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133541;MM133541;C=C(C)CC(C)C(C)F;SKJYQHRKFNMBJO-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133542;MM133542;CC(=O)CC(C)C(C)F;XBHLEGSWUIALLM-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133543;MM133543;CC(F)C(C)CC(=N)N;WKJDDMNTINQREA-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133544;MM133544;CC(F)C(C)CC(=O)O;BWVLFOZLZLYSSZ-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133545;MM133545;C=C(F)CC(C)C(C)F;YIYICTZUADZZMP-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133546;MM133546;C=C(C)CC(C)C(F)F;DEWJXXHRMZQYQN-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133547;MM133547;CC(CC(=N)N)C(F)F;DUAJNFVSIHDFLE-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133548;MM133548;CC(CC(N)=O)C(F)F;INHANXQBWIIXDG-UHFFFAOYSA-N;137.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133549;MM133549;CC(CC(=O)O)C(F)F;SMSZEQDQZWBCGO-UHFFFAOYSA-N;138.11;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133550;MM133550;C=C(C)CC(N)C(C)C;ZGBIIAFLUFTMBY-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133551;MM133551;CC(C)C(N)CC(N)=O;SVDDNCKPGUGLAG-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133552;MM133552;C=C(F)CC(N)C(C)C;UDEGMSSCFFPALR-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133553;MM133553;C=C(F)CC(N)C(C)N;YZSJWEQSMFRYMB-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133554;MM133554;C=C(C)CC(N)C(C)F;FSGZCYZLSKPXBF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133555;MM133555;CC(F)C(N)CC(=N)N;XCCRSZDTMDMHGH-UHFFFAOYSA-N;133.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133556;MM133556;C=C(F)CC(N)C(C)F;AEJBVPPDNFPFSP-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133557;MM133557;NN=CC=NNC(N)=O;BBSFMKDCCQUUTM-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133558;MM133558;CC(C)C(O)CC(=N)N;LCCAHEBPUGZDNC-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133559;MM133559;CC(N)C(O)CC(=N)N;HSTBJYWFXBJTPK-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133560;MM133560;C=C(C)CC(O)C(C)O;BDIZQVREGVYPKB-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133561;MM133561;CC(=O)CC(O)C(C)O;JOVKXRBMZIPRBZ-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133562;MM133562;CC(O)C(O)CC(=N)N;IKIVDFZJZFHDKJ-UHFFFAOYSA-N;132.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133563;MM133563;CC(O)C(O)CC(N)=O;NDAWGZKAQLHGMJ-UHFFFAOYSA-N;133.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133564;MM133564;N=C(N)CC(O)C(F)F;RKZWFBUXRMIUHQ-UHFFFAOYSA-N;138.12;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133565;MM133565;NC(=O)CC(O)C(F)F;JWPRYNWZCVKKPJ-UHFFFAOYSA-N;139.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133566;MM133566;C=C(F)CC(O)C(F)F;KLPZEUZIJFTLNN-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133567;MM133567;C=C(C)CC(F)C(C)C;BFEDFQQXWMHOBH-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133568;MM133568;CC(=O)CC(F)C(C)C;MSHGWXKYXVAKJR-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133569;MM133569;CC(C)C(F)CC(=N)N;VTBOSMOIHRPFGZ-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133570;MM133570;CC(C)C(F)CC(N)=O;OAGKFXHRPPHKGU-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133571;MM133571;CC(C)C(F)CC(=O)O;DKYMERXMOHKLDI-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133572;MM133572;C=C(C)CC(F)C(C)N;RBDXQVQAUONYLF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133573;MM133573;C=C(F)CC(F)C(C)N;FFKHCVQRHIQXLQ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133574;MM133574;C=C(C)CC(F)C(C)F;ZSUZNXBLACREEB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133575;MM133575;C=C(C)CC(F)C(F)F;SXOVCUAQQRBHGQ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133576;MM133576;NC(=O)CC(F)C(F)F;NSRPNQLNRMFGGW-UHFFFAOYSA-N;141.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133577;MM133577;CC(=N)NC(C)C(C)C;QCARIDXZKOWFPZ-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133578;MM133578;CC(CF)N(C)C=NO;IAUIBADVFPZHDI-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133579;MM133579;CC(=O)NC(C)C(C)N;RZEAUMZACQLLSC-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133580;MM133580;CC(N)C(C)NC(N)=O;OJRPBLRDGSNAHG-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133581;MM133581;CC(=N)NC(C)C(C)O;OZTLEKOMTZILLJ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133582;MM133582;CC(=O)NC(C)C(C)O;ZCGNIFXXTKDQRT-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133583;MM133583;CC(O)C(C)NC(=N)N;CGNFZBOHYFADLE-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133584;MM133584;CC(O)C(C)NC(N)=O;CDSHGYYXTBWGNU-UHFFFAOYSA-N;132.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133585;MM133585;CC(=N)NC(C)C(C)F;JDWTUUXQOPPCRA-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133586;MM133586;CC(=O)NC(C)C(C)F;BZYLOOGITXLHBD-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133587;MM133587;CC(NC(=N)N)C(F)F;FKZNKYFMIRPPCJ-UHFFFAOYSA-N;137.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133588;MM133588;CC(NC(N)=O)C(F)F;XEDHAWNDSPLICM-UHFFFAOYSA-N;138.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133589;MM133589;C=C(C)OC(C)C(C)C;ZRZZQFCUFCRJNU-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133590;MM133590;CC(C)C(C)OC(=N)N;NNOAZUKQZYHSPI-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133591;MM133591;C=C(C)OC(C)C(C)N;RDQIUZGDIIZFDY-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133592;MM133592;CC(=O)OC(C)C(C)N;LTZDFNYCZZDKSI-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133593;MM133593;CC(N)C(C)OC(=N)N;YOZVRONPHDWIAI-UHFFFAOYSA-N;131.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133594;MM133594;CC(N)C(C)OC(N)=O;ZUBYMXRSTWPICE-UHFFFAOYSA-N;132.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133595;MM133595;C=C(C)OC(C)C(C)F;GHFSVNCWKSXBSZ-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133596;MM133596;CC(=O)OC(C)C(F)F;RKBFPIRIVNNDNA-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133597;MM133597;CC(OC(N)=O)C(F)F;DHEGGZNDXMEUSB-UHFFFAOYSA-N;139.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133598;MM133598;C=C(C)CC(C)N(C)C;HGEFQENRJYIOOG-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133599;MM133599;CC(CC(=N)N)N(C)C;UFFGGCPLLPLBFO-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133600;MM133600;CC(CC(N)=O)N(C)C;JOQZXBKWLBRCCT-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133601;MM133601;C=C(F)CC(C)N(C)C;QCDRQPVJVLKDRE-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133602;MM133602;C=C(C)CN(C)C(C)C;GOLIZOGVRJIGHB-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133603;MM133603;CC(C)N(C)CC(=N)N;UAUVKEKWOZEFEB-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133604;MM133604;CC=C(C)C(=O)NC=N;NVOJUJWOTZLMMC-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133605;MM133605;CC(C)N(C)NC(=N)N;CEYBCVNDYCZQCE-UHFFFAOYSA-N;130.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133606;MM133606;C=C(C)C(C)CC(C)C;CENLSHZPHQATNB-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133607;MM133607;C=C(C)C(C)CC(C)N;VUOWBDIOGYSKHQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133608;MM133608;CC=CC(CCC)=NO;IIFAAIJIPUDSBW-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133609;MM133609;C=C(C)C(C)CC(C)F;KIKAPCUJNCKHOS-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133610;MM133610;C=C(C)C(C)CC(F)F;CJZIVUYRDVHIMN-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133611;MM133611;CC(=O)C(C)CC(C)C;YJESALUAHUVISI-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133612;MM133612;CC(=O)C(C)CC(C)F;RKIRUXUEJRFNSE-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133613;MM133613;CC(=O)C(C)CC(F)F;SMZQZVFVNAAIOD-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133614;MM133614;CC(C)CC(C)C(=N)N;WZGDQPMGDFTYDX-UHFFFAOYSA-N;128.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133615;MM133615;CC(N)CC(C)C(=N)N;LSOUXCQVBOYJTC-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133616;MM133616;CC(O)CC(C)C(=N)N;WWUYZXJRSAIAQA-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133617;MM133617;CCc1cn(N)c(O)n1;VEUXPBHCBCPTJX-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133618;MM133618;CC(N)CC(C)C(N)=O;YFIBQEOYINHEPI-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133619;MM133619;CC(O)CC(C)C(N)=O;QEFOLHGUIKEYAI-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133620;MM133620;NN=C1COC(NN)=N1;CNQNULGYKDXQJH-UHFFFAOYSA-N;129.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133621;MM133621;C=C(F)C(C)CC(C)C;SXCAESOLBBUPNJ-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133622;MM133622;C=C(F)C(C)CC(C)N;ULEOKPMZKUTTHH-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133623;MM133623;C=C(F)C(C)CC(C)O;HDWOWQQHYZUZRG-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133624;MM133624;C=C(C)C(N)CC(C)C;CIHZXSPNRZFRFG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133625;MM133625;C=C(C)C(N)CC(C)N;FTDVWAJKZJTXFI-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133626;MM133626;C=C(C)C(N)CC(C)O;LOJJVOVHIZPLJX-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133627;MM133627;CC(C)CC(N)C(=N)N;LIUACKIOZINKGH-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133628;MM133628;CC(N)CC(N)C(=N)N;BILQQKDDKFBJIU-UHFFFAOYSA-N;130.2;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133629;MM133629;CC(O)CC(N)C(=N)N;YMLCYEJPMOXCBA-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133630;MM133630;CC(C)CC(N)C(N)=O;FORGMRSGVSYZQR-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133631;MM133631;C=C(F)C(N)CC(C)C;QYDLXXAIEKSDDM-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133632;MM133632;C=NN1CC1C(O)C#N;UYXLASDJLUDKEN-UHFFFAOYSA-N;125.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133633;MM133633;C=C(C)C(O)CC(C)O;JQMNMFOMENBSIQ-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133634;MM133634;CC(N)CC(O)C(=N)N;NCMUDVCKVSAOAV-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133635;MM133635;CC(O)CC(O)C(=N)N;DFTWPDZFCDAOBO-UHFFFAOYSA-N;132.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133636;MM133636;CC(F)CC(O)C(=N)N;RCVWDAZPZSWJRF-UHFFFAOYSA-N;134.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133637;MM133637;Nc1cnn(O)c(=O)c1;YHPSWYDZEFIBPX-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133638;MM133638;C=C(C)C(F)CC(C)C;YNCHEGNRNICZJB-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133639;MM133639;C=C(C)C(F)CC(C)N;JCJMRHIAIRJLAS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133640;MM133640;C=C(C)C(F)CC(C)O;JHCABYQUBCDBCJ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133641;MM133641;C=C(C)C(F)CC(C)F;NZKLHFJTIPZDMZ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133642;MM133642;CC(=O)C(F)CC(C)C;JDOFSTUVBFARKY-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133643;MM133643;CC(=O)C(F)CC(F)F;AICNRLKNEFDOBZ-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133644;MM133644;CC(F)CC(F)C(N)=O;YHGJRUWMOSOSKC-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133645;MM133645;CC(C)CC(F)C(=O)O;XJSHQHONRQJNKY-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133646;MM133646;O=C(O)C(F)CC(F)F;CIZJIHGUQXOGLQ-UHFFFAOYSA-N;142.08;1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133647;MM133647;C=C(F)C(F)CC(C)O;WUMULGJXMQYQOL-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133648;MM133648;C=C(F)C(F)CC(F)F;LMDKXVQPHHFNCB-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133649;MM133649;CC(=O)C(C)NC(C)C;YKBYTZGYGUZKTA-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133650;MM133650;CC(C)NC(C)C(=N)N;KCLGQWGYRGAJPZ-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133651;MM133651;C=C(C)C(C)OC(C)C;PMPIFXBYCNIBIY-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133652;MM133652;CC(=O)C(C)OC(C)C;GYSOODZMSXFVBP-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133653;MM133653;C=C(C)C(C)CN(C)C;UNAHKKNXETWJTM-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133654;MM133654;CC(CN(C)C)C(=N)N;YNEWXAYRXBPUAI-UHFFFAOYSA-N;129.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133655;MM133655;CN(C)CC(N)C(=N)N;HUTLQGYGZFJWFZ-UHFFFAOYSA-N;130.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133656;MM133656;CN(C)CC(N)C(N)=O;HNCWNSZCXCCJQA-UHFFFAOYSA-N;131.18;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133657;MM133657;C=C(C)C(O)CN(C)C;LNSWWHRJGIMIMS-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133658;MM133658;CN(C)CC(O)C(=N)N;PONKTSVNAWGCHL-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133659;MM133659;CN(C)CC(O)C(N)=O;BAQXHGPGHNDJKE-UHFFFAOYSA-N;132.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133660;MM133660;CC(=N)N(C)CC(C)C;JHPYYUAAHOBLFR-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133661;MM133661;CC(=N)N(C)CC(C)F;ZDELKRGNYPWHLO-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133662;MM133662;CC(=O)N(C)CC(C)N;XRAYNNUUFKJSEM-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133663;MM133663;CC(=O)N(C)CC(C)O;SUOVZMUZQGZAQM-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133664;MM133664;CC(N)CN(C)C(=N)N;WHFYWZUDBLCKCD-UHFFFAOYSA-N;130.2;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133665;MM133665;CC(O)CN(C)C(=N)N;RRPGJSFYYOETDT-UHFFFAOYSA-N;131.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133666;MM133666;CC(N)CN(C)C(N)=O;RSZBAYGBCMHFDW-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133667;MM133667;CC(O)CN(C)C(N)=O;FVBYWELLKMOXAK-UHFFFAOYSA-N;132.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133668;MM133668;CN(CC(F)F)C(N)=O;MQVCALCKAZFUMH-UHFFFAOYSA-N;138.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133669;MM133669;CC(=N)N(N)CC(C)O;MTADAVCDRLZKAQ-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133670;MM133670;CC(=N)N(N)CC(C)F;YXMYJLZFGYHSFN-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133671;MM133671;CC(=O)N(N)CC(C)F;FXHAHGAWRCWWCL-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133672;MM133672;CC(O)CN(N)C(=N)N;CQLIGIPILCMGNA-UHFFFAOYSA-N;132.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133673;MM133673;CC(F)CN(N)C(=N)N;ISBCPWDNXSOHAL-UHFFFAOYSA-N;134.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133674;MM133674;N=C(N)N(N)CC(F)F;RGYLTJMDQKKEIX-UHFFFAOYSA-N;138.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133675;MM133675;C=NOCC(C)(O)C(F)F;DOHUOLKBZSKKMY-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133676;MM133676;CC(F)C(F)C(=O)N(C)N;GFYVMEKYAZHOLF-UHFFFAOYSA-N;152.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133677;MM133677;CC(CF)N=CNC(N)=O;BZBQTIBHNOULIE-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133678;MM133678;CC(=N)N(O)CC(C)N;HAXQUYNKYGJAMP-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133679;MM133679;CC(=N)N(O)CC(C)O;SNSVFLHBWSYBNR-UHFFFAOYSA-N;132.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133680;MM133680;CC(N)CN(O)C(=N)N;NAJJUDVSEKHVRJ-UHFFFAOYSA-N;132.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133681;MM133681;CC(O)CN(O)C(=N)N;HAGKALJMFJRCCA-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133682;MM133682;CC(F)CN(O)C(=N)N;VACLAIUZBVLILR-UHFFFAOYSA-N;135.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133683;MM133683;CC(N)CN(O)C(N)=O;MSHVFMYYPUBBQR-UHFFFAOYSA-N;133.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133684;MM133684;CC(O)CN(O)C(N)=O;WVVRXZZULFYODJ-UHFFFAOYSA-N;134.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133685;MM133685;CC(F)CN(O)C(N)=O;OXBKVBFUJVUNHQ-UHFFFAOYSA-N;136.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133686;MM133686;NC(=O)N(O)CC(F)F;BVBBIADKLFSPSX-UHFFFAOYSA-N;140.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133687;MM133687;CC(=N)N(C)NC(C)C;WQRVWYAVXLJDNS-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133688;MM133688;C=C(C)CC(C)C(=C)C;XGFJQJHYKOIMPN-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133689;MM133689;C=C(C)C(C)CC(C)=O;BDMMRMHHMFKXRU-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133690;MM133690;NC(=O)NC=NCC=CF;CZFWCTCNINQTQE-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133691;MM133691;C=C(C)C(C)CC(=O)O;LVPZJCLTIBDEAT-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133692;MM133692;C=C(F)CC(C)C(=C)C;QJQOWRCSRAGYHC-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133693;MM133693;C=C(C)CC(C)C(C)=O;NSAZVQBDLMVTOQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133694;MM133694;CC(=O)CC(C)C(C)=O;NLLILAUVOOREKR-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133695;MM133695;CC(=O)C(C)CC(=N)N;WAFXLVAXNDRMSZ-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133696;MM133696;CC(=O)C(C)CC(N)=O;WEWSTCGOTFOKFO-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133697;MM133697;C=C(F)CC(C)C(C)=O;QLNYCAQCRNZEIU-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133698;MM133698;C=C(C)CC(C)C(=N)N;ZIFCTAHFQJADHI-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133699;MM133699;CC#CC=CC(=O)NC=N;PFLLQIKZZCYMLZ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133700;MM133700;CC(CC(=N)N)C(N)=O;FZAOACLTOFGMDJ-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133701;MM133701;C=C(C)CC(C)C(=O)O;WQBDUHHOENCMGP-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133702;MM133702;CNc1cnn(O)c(=O)c1;FODDMZAGIISTKP-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133703;MM133703;C=C(F)C(C)CC(C)=O;QGGUJPORCHYDAV-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133704;MM133704;C=C(F)C(C)CC(N)=O;CJNBEIMMRNYWBZ-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133705;MM133705;C=C(C)CC(N)C(=C)C;WFJDUZFYQYJEAO-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133706;MM133706;C=C(C)C(N)CC(=N)N;XTGFVLHKOICOPM-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133707;MM133707;C=C(C)C(N)CC(N)=O;BIDHDQUDAICCEM-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133708;MM133708;C=C(F)CC(N)C(=C)C;XMQNIFPIJQCRDQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133709;MM133709;C=C(C)CC(N)C(=N)N;NXPXVYXOGADDAV-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133710;MM133710;N=C(N)C(N)CC(N)=O;OEXJKWDDLTZGHX-UHFFFAOYSA-N;130.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133711;MM133711;C=C(F)CC(N)C(=N)N;WVQQWYZCFMCGIP-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133712;MM133712;C=C(F)C(N)CC(=N)N;JBYRAQBDXCJSPP-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133713;MM133713;C=C(C)C(O)CC(C)=O;LKGOBWHJXOZFIA-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133714;MM133714;CC(=O)CC(O)C(C)=O;MXGSILCFPNVDMX-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133715;MM133715;CC(=O)CC(O)C(=N)N;WHMZEIDOOMTCAV-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133716;MM133716;N=C(N)CC(O)C(=N)N;NSEFQZSKMZQRTM-UHFFFAOYSA-N;130.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133717;MM133717;N=C(N)C(O)CC(N)=O;VMIFXVRUFBRJSW-UHFFFAOYSA-N;131.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133718;MM133718;C=C(F)CC(O)C(=N)N;YPHHZWKZTWEWGU-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133719;MM133719;CC(=O)CC(O)C(N)=O;KMKGOMILZMTGEF-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133720;MM133720;N=C(N)CC(O)C(N)=O;SVPRZOPYRRQCKN-UHFFFAOYSA-N;131.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133721;MM133721;NC(=O)CC(O)C(N)=O;GYNXTHOOAGYMOK-UHFFFAOYSA-N;132.12;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133722;MM133722;Nc1cc(=O)n(O)cn1;ORBUBWGRABQRAG-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133723;MM133723;C=C(F)CC(O)C(N)=O;WKGJPMCWVFGLBJ-UHFFFAOYSA-N;133.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133724;MM133724;CCCC#CC(C#N)=NO;YMGLSQHLOMGHKC-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133725;MM133725;O=Cc1cc(=O)n(O)cn1;YDRNDVWNWCERRP-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133726;MM133726;C=C(C)C(F)CC(C)=O;YQVSGALYVKVSDX-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133727;MM133727;C=C(C)C(F)CC(=O)O;OVFIMNKERUPYFF-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133728;MM133728;C=C(F)CC(F)C(=C)C;NPSCGFITGBVECM-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133729;MM133729;CC(=O)C(F)CC(N)=O;JNXPQSVQUDLUIB-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133730;MM133730;C=C(C)CC(F)C(N)=O;POKGMTZRMUVISY-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133731;MM133731;CC(=O)CC(F)C(N)=O;SEJNAOUNKAPWST-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133732;MM133732;C=C(C)CC(F)C(=O)O;DKSYHBIBOWPOJZ-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133733;MM133733;C=Nn1nc(N)n(O)c1=O;HHWJDZQINUXUGQ-UHFFFAOYSA-N;143.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133734;MM133734;C=C(F)C(F)CC(N)=O;FJUKRJOTAXYPTD-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133735;MM133735;C=C(C)C(C)NC(C)=N;DQLBZTVGEQVIOB-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133736;MM133736;COC(=O)OCC(=O)NN;DXAUSDJLQUMHQP-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133737;MM133737;CC(=O)C(C)N=C(C)N;QQKDTRAFKOZJNG-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133738;MM133738;CC(=O)C(C)NC(=N)N;NPIXVTVHOWQKGX-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133739;MM133739;CC(=O)C(C)NC(N)=O;QNWSWTNVUNHRNZ-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133740;MM133740;CC(=N)NC(C)C(=N)N;HAWTXPBAYLGUIG-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133741;MM133741;CC(=O)NC(C)C(=N)N;KAQJTXUXLHCTCH-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133742;MM133742;CC(NC(=N)N)C(=N)N;YPMPCTFVRDNJIJ-UHFFFAOYSA-N;129.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133743;MM133743;CC(NC(N)=O)C(=N)N;SZAHGFYAMZSAQP-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133744;MM133744;C=C(F)C(C)NC(C)=O;YBWCVCBRIUNDFD-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133745;MM133745;C=C(C)OC(C)C(=C)C;ZHLACHCMQZQHHN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133746;MM133746;C=C(C)C(C)OC(C)=O;DCCHMIMNGZITSV-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133747;MM133747;C=C(C)C(C)OC(N)=O;UEYPOCHCOQOVGW-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133748;MM133748;C=C(C)OC(C)C(C)=O;NYLVSXKGDCHTDK-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133749;MM133749;C=C(C)OC(C)C(=N)N;KXNFQMSAYHKASH-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133750;MM133750;CC(=O)OC(C)C(=N)N;YOQHKJBXUBDSLK-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133751;MM133751;CC(OC(=N)N)C(=N)N;OOGFCNMUMMWSBI-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133752;MM133752;CC(OC(N)=O)C(=N)N;CMMLECROGRDKAU-UHFFFAOYSA-N;131.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133753;MM133753;C=C(C)OC(C)C(N)=O;KVIBDEJYHKTEMI-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133754;MM133754;CC(OC(N)=O)C(=O)O;RNUPSRVJWNOULM-UHFFFAOYSA-N;133.1;-0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133755;MM133755;C=C(F)C(C)OC(C)=O;SMHLOZYRLBCQGI-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133756;MM133756;C=C(F)C(C)OC(N)=O;HTWYWVSHGUXCIT-UHFFFAOYSA-N;133.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133757;MM133757;CC(=N)N(C)CC(=N)N;OWMCHHCGBPTZRU-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133758;MM133758;CC(=N)N(C)CC(N)=O;ZPZRAHQFMLMQJY-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133759;MM133759;C=C(F)CN(C)C(C)=N;RLYXBEXZTIKHLU-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133760;MM133760;C=C(C)CN(C)C(C)=O;DIVJJROIJJRIDR-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133761;MM133761;CC(=O)N(C)CC(N)=O;KYKQPVBWGDUGDS-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133762;MM133762;C=C(F)CN(C)C(C)=O;AJCORMQBKOXBSA-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133763;MM133763;CC(=O)CN(C)C(=N)N;BMNONZCHUGCNOD-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133764;MM133764;CN(CC(=N)N)C(=N)N;FBHDMFRGULIRAH-UHFFFAOYSA-N;129.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133765;MM133765;CN(CC(N)=O)C(=N)N;BRUGEBPQSDJAKT-UHFFFAOYSA-N;130.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133766;MM133766;C=C(F)CN(C)C(=N)N;XUJXUXUDNMPSFW-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133767;MM133767;CN(CC(=N)N)C(N)=O;BXDGMZFHLLZEJZ-UHFFFAOYSA-N;130.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133768;MM133768;CN(CC(N)=O)C(N)=O;OEDXKCIKHBXNDV-UHFFFAOYSA-N;131.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133769;MM133769;CC(F)C#CC(CF)=NO;CIAFCWIXOAJPMY-UHFFFAOYSA-N;147.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133770;MM133770;CC(=N)N(N)CC(=N)N;NETHSJIDIIQWGV-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133771;MM133771;CC(=N)N(N)CC(N)=O;OEMQXFVPJFHPIT-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133772;MM133772;C=C(F)CN(N)C(C)=N;DWHOSFAHNKIGTC-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133773;MM133773;C=C(C)CN(N)C(C)=O;CTKCJZVGLIQUML-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133774;MM133774;CC(=O)N(N)CC(=N)N;MFPNGBXKDBHXDS-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133775;MM133775;N=C(N)CN(N)C(=N)N;LGWQEWUICHEEHZ-UHFFFAOYSA-N;130.16;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133776;MM133776;N=C(N)N(N)CC(N)=O;PFMQNVTYSLZGTP-UHFFFAOYSA-N;131.14;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133777;MM133777;C=C(F)CN(N)C(=N)N;ZUHBXGLORXXCHM-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133778;MM133778;N=C(N)CN(N)C(N)=O;YZYGNZSSTHNCAF-UHFFFAOYSA-N;131.14;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133779;MM133779;C=CC(=O)CCC(N)=NO;RJXMZNHOPWZFOL-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133780;MM133780;CC(=N)N(O)CC(=N)N;DPCOEKLSMGYKII-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133781;MM133781;CC(=O)CN(O)C(=N)N;JYFYSGPSATXUQD-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133782;MM133782;N=C(N)CN(O)C(=N)N;NMYAUSUQIWPERO-UHFFFAOYSA-N;131.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133783;MM133783;N=C(N)N(O)CC(N)=O;POOFJTKLLNFEIE-UHFFFAOYSA-N;132.12;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133784;MM133784;C=C(F)CN(O)C(=N)N;SDULWHLSARXOOS-UHFFFAOYSA-N;133.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133785;MM133785;CC(=O)CN(O)C(N)=O;JWXOILPPYHDXEY-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133786;MM133786;NC(=O)CN(O)C(N)=O;YVXARVGUSMOHOD-UHFFFAOYSA-N;133.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133787;MM133787;CC(=N)NN(C)C(C)=N;LNPRDQAQOCHKIO-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133788;MM133788;CC(=N)N(C)NC(C)=O;REMPBJGTVGLQFM-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133789;MM133789;CC(=N)N(C)NC(=N)N;WLAFZJNVCRSTTA-UHFFFAOYSA-N;129.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133790;MM133790;CC(=N)N(C)NC(N)=O;FJDYONKNCGHKBT-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133791;MM133791;CC(=O)NN(C)C(C)=O;XDILHIDHUKDARQ-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133792;MM133792;CC(=N)NN(C)C(=N)N;SZCWQUZGPVOPFR-UHFFFAOYSA-N;129.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133793;MM133793;CN(NC(N)=O)C(=N)N;DHAIHRJTJFBFNU-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133794;MM133794;CC(=N)NN(C)C(N)=O;GXPDNIHDPGYQAN-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133795;MM133795;CC(=O)NN(C)C(N)=O;DIQCHPZVGGIQBS-UHFFFAOYSA-N;131.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133796;MM133796;CN(NC(=N)N)C(N)=O;SRAKSKGLEDSMKM-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133797;MM133797;CC(=N)N(C)OC(=N)N;ATBCYPLWBAUYEA-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133798;MM133798;CC(=O)ON(C)C(C)=O;ALQCCXRUNHSSRZ-UHFFFAOYSA-N;131.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133799;MM133799;CC(=O)N(C)OC(N)=O;QWRYSBKJZJJSRL-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133800;MM133800;CC(=O)ON(C)C(N)=O;NHORHXIYRISTIM-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133801;MM133801;C=C(CC(C)C)C(C)C;RKHGPQDCMNJVDC-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133802;MM133802;C=C(CC(C)N)C(C)C;YSKIJCUGMFEAIA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133803;MM133803;CCC1(C)C=CC(=NO)N1;FUUUWBLKJUXDHE-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133804;MM133804;C=C(CC(C)F)C(C)C;DZGWVVVQJXUMMQ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133805;MM133805;C=C(CC(F)F)C(C)C;GWFLQMIOIANQOL-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133806;MM133806;C=C(CC(C)C)C(C)N;QPTWYAXASUDMBM-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133807;MM133807;C=C(CC(C)N)C(C)N;DSABOZSNJVDQQS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133808;MM133808;CC(=NO)N(N)CCCO;OHMCENJKZHFJIQ-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133809;MM133809;C=C(CC(C)N)C(C)O;GEVPUZGMKINCCS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133810;MM133810;C=C(CC(C)O)C(C)O;QGDYALUUBWIMGA-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133811;MM133811;C=C(CC(C)N)C(C)F;NZQZLTAISNRPLI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133812;MM133812;C=C(CC(C)O)C(C)F;MJDJKISPGSDOIQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133813;MM133813;C=C(CC(C)F)C(C)F;LIGRJXZDWYCYPB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133814;MM133814;C=C(CC(F)F)C(C)F;CIFICXQAQSGPQA-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133815;MM133815;C=C(CC(C)N)C(F)F;NTEMBEIXMCXYSP-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133816;MM133816;C=C(CC(C)O)C(F)F;QPFHQWOSVOTHSY-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133817;MM133817;C=C(CC(C)F)C(F)F;IZCGAWRDPQNMLT-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133818;MM133818;C=C(CC(F)F)C(F)F;QQGDCUVFRNCROG-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133819;MM133819;CC(C)CC(=O)C(C)C;TUIWMHDSXJWXOH-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133820;MM133820;CC(F)CC(=O)C(C)C;WYCIVOGWDNSYTA-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133821;MM133821;CC(C)C(=O)CC(F)F;IHKUMUIXBDVPOW-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133822;MM133822;CC(C)CC(=O)C(C)O;OYUBDGVWESFPBQ-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133823;MM133823;CC(F)CC(=O)C(C)F;ZBXJMSJIDUTWOU-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133824;MM133824;CC(C)NC(=N)C(C)C;QSYHHFORKAZPIE-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133825;MM133825;C=CC(=O)NC=NCCC;MWJFZDJHQQHIGW-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133826;MM133826;CC(C)NC(=O)C(C)O;PLSSYQFNLOOTSH-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133827;MM133827;CC(C)NC(=O)C(C)F;POYIEDOLMRDWSS-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133828;MM133828;C=C(OC(C)C)C(C)C;NJQBVLZZZOURKA-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133829;MM133829;C=C(OC(C)C)C(C)N;IBQWSAUQLIPKLB-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133830;MM133830;C=C(OC(C)C)C(C)O;ACJFCQGHEMXSJE-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133831;MM133831;CC(C)OC(=O)C(C)C;WVRPFQGZHKZCEB-UHFFFAOYSA-N;130.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133832;MM133832;CC(C)OC(=O)C(C)F;PNFFMCPDTFIXPD-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133833;MM133833;CC(C)OC(=O)C(F)F;YSWLZODWSKQJNC-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133834;MM133834;C=C(CN(C)C)C(C)C;WAFVOSFUASRSBP-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133835;MM133835;C=C(CN(C)C)C(C)O;YAYWEJGOGIMHOT-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133836;MM133836;C=C(CN(C)C)C(C)F;KWFFLBJPMVMDDR-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133837;MM133837;C=CN(N)C(=NO)NOC;WIVZLTRJQXYVQU-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133838;MM133838;CC(O)C(=O)NN(C)C;YAYUKJAUFSXCDI-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133839;MM133839;CC(F)C(=O)NN(C)C;AVOKXNIUIVVZCE-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133840;MM133840;CC(C)CC(=N)N(C)C;FMIXYJREBNHMIL-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133841;MM133841;CC(O)CC(=N)N(C)C;ALGCGQOCXITZLM-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133842;MM133842;CC(F)CC(=N)N(C)C;BQCFTDIXGAMRMI-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133843;MM133843;CC(C)CC(=N)N(C)N;QHJQNBGLUWMHBV-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133844;MM133844;CC(O)CC(=N)N(C)N;BLWNYZKCNFIXLP-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133845;MM133845;CC(F)CC(=N)N(C)N;YSTVIPMUWBXAMY-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133846;MM133846;CC(N)CC(=N)N(C)O;AQCKQQKPJJIVPH-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133847;MM133847;CC(O)CC(=N)N(C)O;YESXIGWFCGOOOD-UHFFFAOYSA-N;132.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133848;MM133848;CC(N)CC(=O)N(C)C;GVUGTVLMJOERDX-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133849;MM133849;CC(O)CC(=O)N(C)C;OHICCAZEETWRET-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133850;MM133850;C=CC(CCC=CC)=NO;JTTJEQJPPFQLMQ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133851;MM133851;CCCC1C=CC(=NO)C1;JATAENDJEDLKQZ-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133852;MM133852;CC(O)CC(=O)N(C)O;NXTFGVFPNPQWOB-UHFFFAOYSA-N;133.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133853;MM133853;CC(C)NC(=N)N(C)C;LNVHFYZEOUKWFG-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133854;MM133854;CN(C)CC(=N)N(C)N;PNCIOFONSGNNEP-UHFFFAOYSA-N;130.2;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133855;MM133855;CN(C)NC(=N)N(C)C;MBSMMKNILADXRP-UHFFFAOYSA-N;130.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133856;MM133856;CN(C)NC(=N)N(C)N;HCFFXLVABOQNDN-UHFFFAOYSA-N;131.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133857;MM133857;CN(C)NC(=N)N(C)O;UXBJGMWEBGXZMC-UHFFFAOYSA-N;132.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133858;MM133858;CN(C)NC(=O)N(C)C;BUKZFSSRYNHOQU-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133859;MM133859;N#CCn1cnc(C=O)c1;JYXBIQYZKBGCFM-UHFFFAOYSA-N;135.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133860;MM133860;C=C(C)CC(=C)C(C)C;JUKXWBGVNYPODU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133861;MM133861;C=C(CC(C)=O)C(C)C;AQBXQMGSVVHZDI-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133862;MM133862;C=C(CC(=O)O)C(C)C;WAQITWDITIAIFA-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133863;MM133863;C=C(F)CC(=C)C(C)C;CQTLLDBDCRWLLX-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133864;MM133864;C=C(C)CC(=C)C(C)N;QTKPXNQNSVRBMF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133865;MM133865;C=C(CC(=N)N)C(C)N;DDWWCYREXHCZRW-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133866;MM133866;C=C(CC(N)=O)C(C)N;LZAUBKLESQQEHA-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133867;MM133867;C=C(F)CC(=C)C(C)N;CAPMGUWQFBSATE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133868;MM133868;N=CNC(=O)C=CN1CC1;AQAGGHTZNJOMNK-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133869;MM133869;C=C(CC(N)=O)C(C)O;SUTRWWYERFNYCC-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133870;MM133870;COCOCC(CO)=NO;RJGVGBNEXCMFBU-UHFFFAOYSA-N;149.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133871;MM133871;C=C(F)CC(=C)C(C)O;PCTCLQPFGNRGFA-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133872;MM133872;C=C(C)CC(=C)C(C)F;WUIOCIBMJSRSFS-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133873;MM133873;C=C(CC(C)=O)C(C)F;PLBSTRQIURCTKP-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133874;MM133874;C=C(CC(=N)N)C(C)F;VTZAXUHQMSURNS-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133875;MM133875;C=C(CC(=N)N)C(F)F;VISBLUYHJXATKK-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133876;MM133876;C=C(C)CC(=O)C(C)C;ZWMLMTUXSNQFTC-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133877;MM133877;CC(C)C(=O)CC(=N)N;XDUVRQUPGSNFDM-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133878;MM133878;CC(C)C(=O)CC(N)=O;ZXFMVRLBIFNWKL-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133879;MM133879;C=C(F)CC(=O)C(C)C;GJKDKJDEGJVPOP-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133880;MM133880;CC(=O)CC(=O)C(C)O;MGEAAKFVOQZVFH-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133881;MM133881;C=C(C)CC(=O)C(C)F;PIVNXAMSHYDVQB-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133882;MM133882;CC(F)C(=O)CC(=N)N;VIZDNSNRVSRADX-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133883;MM133883;CC(F)C(=O)CC(N)=O;HQIOZSVWRCGEEC-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133884;MM133884;C=C(F)CC(=O)C(C)F;YNCUTLJWCQLAOB-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133885;MM133885;C=C(C)CC(=O)C(F)F;ZCNIUUXXGWOOHY-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133886;MM133886;C=C(NC(C)=N)C(C)C;MNTMCQDJJCTROC-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133887;MM133887;C=C(NC(C)=O)C(C)C;SKDORDVTQPQSRH-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133888;MM133888;C=C(NC(N)=O)C(C)C;LYMOEANHRNJWMN-UHFFFAOYSA-N;128.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133889;MM133889;C=C(NC(C)=O)C(C)N;ZTILXWWEDRRYFL-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133890;MM133890;C=C(NC(=N)N)C(C)N;BKCANIADLQEQTI-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133891;MM133891;C=C(NC(N)=O)C(C)N;WIBLAPWSFYKXMT-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133892;MM133892;C=C(NC(C)=N)C(C)O;YDPABHDSNVSJDZ-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133893;MM133893;C=C(NC(C)=O)C(C)O;NHBWDFUXLIFLKI-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133894;MM133894;C=C(NC(C)=N)C(C)F;XHZRLNHDJJYUDJ-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133895;MM133895;C=C(NC(=N)N)C(C)F;VJTXYOZUDABIRT-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133896;MM133896;C=C(NC(N)=O)C(C)F;HNSFTLWHSIKPHG-UHFFFAOYSA-N;132.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133897;MM133897;C=C(C)NC(=N)C(C)C;GUBYVABCVCHCGM-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133898;MM133898;CC(C)C(=N)NC(=N)N;VFHKQSWNYFGJTE-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133899;MM133899;CC(=N)NC(=N)C(C)N;CGJMQSRDPBCRKC-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133900;MM133900;CC(N)C(=N)NC(=N)N;KVXVTFPZFKOESB-UHFFFAOYSA-N;129.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133901;MM133901;C=C(C)NC(=N)C(C)O;HJZOXSDUPRTPGB-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133902;MM133902;CC(=N)NC(=N)C(C)O;FCOYJYBCHZZCOQ-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133903;MM133903;CC(O)C(=N)NC(=N)N;XSFQEROOUBWJFT-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133904;MM133904;CC(O)C(=N)NC(N)=O;BDYLMJYAPQFDBJ-UHFFFAOYSA-N;131.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133905;MM133905;CC(F)C(=N)NC(N)=O;BDSZDJGZZZUTDH-UHFFFAOYSA-N;133.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133906;MM133906;C=C(C)NC(=N)C(F)F;ZBJOBCZESCEICP-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133907;MM133907;C=C(C)NC(=O)C(C)C;YLITUBGRUKXGLT-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133908;MM133908;CC(N)C(=O)NC(=N)N;XOXVKSHXJYLYCX-UHFFFAOYSA-N;130.15;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133909;MM133909;CC(=O)NC(=O)C(C)O;NWIJVTSSMINXPJ-UHFFFAOYSA-N;131.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133910;MM133910;CC(O)C(=O)NC(=N)N;HLLANGFREWMBOU-UHFFFAOYSA-N;131.14;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133911;MM133911;CC(O)C(=O)NC(N)=O;FVJIHRLRPLVRAZ-UHFFFAOYSA-N;132.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133912;MM133912;NC(=O)NC(=O)C(F)F;LAYGRPYIOWOELI-UHFFFAOYSA-N;138.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133913;MM133913;C=C(C)OC(=C)C(C)C;CAFUXZINJNMLIO-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133914;MM133914;C=C(OC(C)=O)C(C)C;GGFZWCZYTMEWNP-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133915;MM133915;C=C(C)OC(=C)C(C)N;LRQFFNINQQCTTR-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133916;MM133916;C=C(C)OC(=C)C(C)O;CKCILCUJJNLREL-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133917;MM133917;C=C(C)OC(=O)C(C)C;LSJFMTWFOIHWKQ-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133918;MM133918;C=C(C)OC(=O)C(C)F;JSHKTUNXWOZSTP-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133919;MM133919;C=C(C)CC(=N)N(C)C;UHMXHBJQHJSKEU-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133920;MM133920;CC(=O)CC(=N)N(C)C;PNSBEVJINIPTIW-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133921;MM133921;CN(C)C(=N)CC(=N)N;NFSLVSYMZVSPMX-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133922;MM133922;CN(C)C(=N)CC(N)=O;IEVSKAAQVOMJQY-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133923;MM133923;C=C(F)CC(=N)N(C)C;CUXHDGCZSIYRKO-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133924;MM133924;C=C(C)CC(=N)N(C)N;XFHOIAPHGBGGDF-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133925;MM133925;CN(N)C(=N)CC(=N)N;KZVDEGMHJDZVPG-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133926;MM133926;C=C(F)CC(=N)N(C)N;CHVVASDEIJHPEJ-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133927;MM133927;CN(O)C(=N)CC(=N)N;KTUFPGMHQWYHEU-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133928;MM133928;C=C(C)CC(=O)N(C)C;XAEVKGJHYJCCGA-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133929;MM133929;CC(=O)CC(=O)N(C)C;YPEWWOUWRRQBAX-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133930;MM133930;CN(C)C(=O)CC(=N)N;QOUQZDGEGCVXBE-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133931;MM133931;CN(C)C(=O)CC(N)=O;BONKBSKIEUBANL-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133932;MM133932;CCC(C)(O)C(CO)=NO;HFEIQSYCBDXRCN-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133933;MM133933;C=C(F)CC(=O)N(C)C;WXJDIQUCYLOOPO-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133934;MM133934;C=C(C)CC(=O)N(C)N;UGWHSEQHALIIHF-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133935;MM133935;CN(N)C(=O)CC(=N)N;NEFYFWVLJYIDJJ-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133936;MM133936;Cc1cn(N)c(O)n1;XJASQQGETQAHKM-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133937;MM133937;CN(O)C(=O)CC(N)=O;JASUCTYMCACAEN-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133938;MM133938;CC(=N)NC(=N)N(C)C;AHJBVSYLVAYPSV-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133939;MM133939;CC(=O)NC(=N)N(C)C;MTTPHMINNPHGSE-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Metformin;MM16896;CN(C)C(=N)N=C(N)N;XZWYZXLIPXDOLR-UHFFFAOYSA-N;129.17;-1.24;4091;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133941;MM133941;CN(C)C(=N)NC(N)=O;LZEBBXWIHQNXLJ-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133942;MM133942;CC(=N)NC(=N)N(C)N;BIKIVWNUEWZRJK-UHFFFAOYSA-N;129.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133943;MM133943;CC(=O)NC(=N)N(C)N;CYXHCWDJOGLDMZ-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133944;MM133944;CN(N)C(=N)NC(=N)N;ANWPJRQSKVCYOM-UHFFFAOYSA-N;130.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133945;MM133945;C=C(C)NC(=N)N(C)O;ZEMJPSBLXNWVQH-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133946;MM133946;CC(=N)NC(=N)N(C)O;DXPKSYGOFVKVFG-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133947;MM133947;CN(O)C(=N)NC(=N)N;JQEXVPIBGPSRTC-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133948;MM133948;NNC(=O)COC=O;GERSJUOCQDZTEE-UHFFFAOYSA-N;118.09;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133949;MM133949;CC(=O)NC(=O)N(C)C;JPKDSLBROREYTM-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133950;MM133950;CN(C)C(=O)NC(=N)N;YMYQMVUUWPSXRQ-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133951;MM133951;CC(O)(C#N)C1CN1;SEYFJTZEOAPONU-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133952;MM133952;CC#Cc1ncc[nH]1;NBEMOVGWWWJNPU-UHFFFAOYSA-N;106.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133953;MM133953;CC(=N)NC(=O)N(C)O;NAYWVOAEKMJWSY-UHFFFAOYSA-N;131.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133954;MM133954;CC(=O)NC(=O)N(C)O;ZNWHDPHZOFCTQW-UHFFFAOYSA-N;132.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133955;MM133955;CCCC=CC=NO;BIVCAXISGLYDJN-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133956;MM133956;C=C(C)C(=C)CC(C)C;ZKGZQXNQGVKFNP-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133957;MM133957;C=C(C)C(=C)CC(C)N;BOMJFDGDUJSISM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133958;MM133958;CN1CC1C(C)(O)C#N;NAZBWSUOBCDBPC-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133959;MM133959;C=C(C)C(=C)CC(C)F;VGEALGKEZNBDTO-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133960;MM133960;C=C(C)C(=C)CC(F)F;MMWPHZFGZDHNDJ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133961;MM133961;C=C(CC(C)C)C(C)=O;AGMJVYMZEAWWND-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133962;MM133962;C=C(CC(C)F)C(C)=O;ZDECLIAJVRQDNG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133963;MM133963;C=C(CC(F)F)C(C)=O;APOLQDXKHYUPFV-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133964;MM133964;C=C(CC(C)N)C(=N)N;HUNKAAYQCPTDBL-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133965;MM133965;C=C(CC(C)O)C(=N)N;RDVFAGULPITXIP-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133966;MM133966;C=C(CC(C)F)C(=N)N;ZHAVPIDDUBLMLB-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133967;MM133967;C=C(CC(F)F)C(=N)N;YXEHFTCPLNPTSF-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133968;MM133968;CNNC(=O)COC=O;UYOXMNTXXYBFHL-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133969;MM133969;C=C(CC(C)N)C(N)=O;XDLJVDRUWRFDRF-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133970;MM133970;C=CCC(=C)C(C)=NO;BXCRDYKRAXTSBW-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133971;MM133971;C=C(CC(C)C)C(=O)O;XQIHFGYUMFFCFG-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133972;MM133972;C=C(CC(C)F)C(=O)O;PJNCARWGBPVWIZ-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133973;MM133973;C=C(CC(F)F)C(=O)O;WRBXUIARCMHKDB-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133974;MM133974;C=C(F)C(=C)CC(C)N;XEBQHKJGYMWROX-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133975;MM133975;C=C(F)C(=C)CC(C)O;CTEULZVWKBLACA-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133976;MM133976;C=C(F)C(=C)CC(F)F;GKLGZUVXEFXMQV-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133977;MM133977;C=C(C)C(=O)CC(C)C;TXQCOAWMUZRGDQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133978;MM133978;C=C(C)C(=O)CC(C)F;FYRVZGRFNKMHGL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133979;MM133979;C=C(C)C(=O)CC(F)F;HNZGHYLYHAOVIS-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133980;MM133980;CC(=O)C(=O)CC(F)F;QQNUWBRMQMRMIQ-UHFFFAOYSA-N;136.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133981;MM133981;C=NNC(=O)CN1CC1;XCCAACNBYIUCJQ-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133982;MM133982;CCC1CCC(=NO)N1;PAJJZQWBNRZTIK-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133983;MM133983;NC(=O)C(=O)CC(F)F;DBYCYCILNZQTNN-UHFFFAOYSA-N;137.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133984;MM133984;C=C(C)C(=N)NC(C)C;FVLXSOBXEXWOMA-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133985;MM133985;C=Cn1cc(C)c(O)n1;PQWJPTCTCPSDLV-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133986;MM133986;C=C1C=CC(=NO)CC1;WZDJDRQTWYYNJI-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133987;MM133987;Cn1nc(CO)cc1O;JCPKAUGUUQXBFQ-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133988;MM133988;C=C(F)C(=O)NC(C)C;OPOQRWGPIWKNEG-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133989;MM133989;C=C(C)C(=C)OC(C)C;BJXOKOZBGIWMAR-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133990;MM133990;C=C(OC(C)C)C(C)=O;XVZBNAOQIJGQTD-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133991;MM133991;C=C(C)C(=O)OC(C)C;BOQSSGDQNWEFSX-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133992;MM133992;CC(=O)C(=O)OC(C)C;WUBJISGMPZWFKY-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133993;MM133993;C=C(F)C(=O)OC(C)C;JINLXNKYCADLRM-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133994;MM133994;C=C(C)C(=C)CN(C)C;HFFMIVQYAZZBLO-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133995;MM133995;C=C(CN(C)C)C(=N)N;MUCPCUGHECBKBC-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133996;MM133996;C=C(CN(C)C)C(N)=O;DNLZVNZIAOXDTF-UHFFFAOYSA-N;128.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133997;MM133997;CN(C)CC(=O)C(=N)N;KQUIXWNPDTWNNW-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133998;MM133998;C#CC(C#N)CN1CC1;YPCHZSNKXZMHLU-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM133999;MM133999;CN(C)NC(=N)C(=N)N;CBRKOAUOTVTACB-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134000;MM134000;CC(F)CN=CNC(N)=O;CJMOLGHVNPQHKE-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134001;MM134001;C=CCc1cc(O)n(N)n1;HGYKHMGTYPBFJQ-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134002;MM134002;C=C(F)CNC(=O)NC=N;AGYLXTCALCNEEO-UHFFFAOYSA-N;145.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134003;MM134003;CN(C)NC(=O)C(N)=O;RTKYNQIBISFSNN-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134004;MM134004;C=C(C)CC(=C)C(=C)C;MMKJXJXYQZCQPL-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134005;MM134005;C=C(C)C(=C)CC(C)=O;NLPDRDBESAJILX-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134006;MM134006;C=C(C)C(=C)CC(=N)N;LLFJSOMFGZIOGC-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134007;MM134007;N=CNC(=O)C=CC(N)=O;DWNDIMDLRQRHAD-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134008;MM134008;C=C(C)C(=C)CC(=O)O;XWFFPFUVUZIINN-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134009;MM134009;C=C(F)CC(=C)C(=C)C;IWESEAZCHLWPQK-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134010;MM134010;C=C(C)CC(=C)C(C)=O;WEAGIKYKIOBREP-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134011;MM134011;C=C(CC(N)=O)C(C)=O;OTFJKPCRLMMHAO-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134012;MM134012;C=C(F)CC(=C)C(C)=O;CJZXCYNQSNZHHH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134013;MM134013;C=C(C)CC(=C)C(=N)N;IJLCCUBMCNARNF-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134014;MM134014;Nn1ccn(O)c(=O)c1=O;HAPFXUXWSBQNAX-UHFFFAOYSA-N;143.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134015;MM134015;C=NNC(=O)CNCC#N;DDZGIJNQMRBMDE-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134016;MM134016;CN=c1on(O)c(=O)n1N;YMEQJNAQQMBMQN-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134017;MM134017;C=C(F)C(=C)CC(N)=O;RLUPKFJRSFCJGX-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134018;MM134018;C=C(C)CC(=O)C(=C)C;OVTCGEGPTDACTQ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134019;MM134019;C=C(C)C(=O)CC(N)=O;XOJANYPKBBAWRJ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134020;MM134020;C=C(F)CC(=O)C(=C)C;ASPIASIIGPWPST-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134021;MM134021;CC(=O)C(=O)CC(=N)N;POHUQOJHWOYDHQ-UHFFFAOYSA-N;128.13;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134022;MM134022;N=C(N)CC(=O)C(=N)N;AMNWWKHNBOHPIC-UHFFFAOYSA-N;128.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134023;MM134023;C=CC=NNC(=O)C(C)C;HYRTXNKPQPINMU-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134024;MM134024;CNNC(=O)N(N)C(C)=O;RNKDOFKURJNPQD-UHFFFAOYSA-N;146.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134025;MM134025;N=C(N)CC(=O)C(N)=O;ZWMDQFQDRRXMGG-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134026;MM134026;C=C(F)CC(=O)C(N)=O;DNCQYGQAYFPNRL-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134027;MM134027;C=C(C)CC(=O)C(=C)F;VFWGIMYOMCJQKF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134028;MM134028;C=C(F)C(=O)CC(=N)N;GXHUJQXSSVCJEL-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134029;MM134029;C=C(C)C(=C)NC(C)=N;NQJYLVFRMQXZPI-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134030;MM134030;C=C(C)C(=C)NC(C)=O;UXUHCQWHCIDDHO-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134031;MM134031;C=C(C)C(=C)NC(N)=O;CXECWRTWEUNQEP-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134032;MM134032;C=C(NC(C)=N)C(=N)N;ZGIQIUXWWSOUBN-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134033;MM134033;C=C(NC(C)=O)C(=N)N;XOUYGVNUGCLKQQ-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134034;MM134034;C=C(NC(C)=N)C(N)=O;ZWKXGLXPEFVNAX-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134035;MM134035;C=C(NC(C)=O)C(N)=O;AWHYDQPCWDOQOM-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134036;MM134036;C=C(C)NC(=N)C(=C)C;IPLQJVWWHMFCDD-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134037;MM134037;NNC(=O)COC(=O)NN;UKFGXVGMJVMYIF-UHFFFAOYSA-N;148.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134038;MM134038;C=C(C)C(=N)NC(=N)N;NGSVJGKNZIFZLP-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134039;MM134039;CC(=O)C(=N)NC(=N)N;ABIYUJIVFPSCRV-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134040;MM134040;C=C(C)NC(=N)C(=N)N;XCTIFFYOHDRTCN-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134041;MM134041;CC(=N)NC(=N)C(=N)N;XHPFUXNHOMBPSM-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134042;MM134042;CC(=O)NC(=N)C(=N)N;AYNFJKBJXUGSPK-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134043;MM134043;CCC1(C)CCC(=NO)N1;VBPIRLWGXCAFLB-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134044;MM134044;CC(=O)NC(=N)C(N)=O;ALCPXANEXWRWOO-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134045;MM134045;N=c1on(O)c(=O)n1N;JEYXLIZQJIQGGG-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134046;MM134046;C=C(F)C(=N)NC(C)=O;PUCPZQSQIQKOPB-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134047;MM134047;C=C(F)C(=N)NC(=N)N;GMPBZOXYNPTIRL-UHFFFAOYSA-N;130.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134048;MM134048;C=C(F)C(=N)NC(N)=O;JSQOUEVHXHLLTJ-UHFFFAOYSA-N;131.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134049;MM134049;C=C(C)NC(=O)C(=C)C;HBKWIKDOQWXCDE-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134050;MM134050;C#CCON(C)C(=O)NN;NTOPWJJHUKKAMU-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134051;MM134051;CC(=N)NC(=O)C(N)=O;CBCIYYFCIJBJCM-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134052;MM134052;CC(=O)NC(=O)C(N)=O;RJTYCKTWWMTDQW-UHFFFAOYSA-N;130.1;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134053;MM134053;Nn1[nH]c(CO)cc1=O;HGHIKTYWVVJFAL-UHFFFAOYSA-N;129.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134054;MM134054;Nn1c(F)c(F)c(=O)n1O;XXFDMMVNVJESFM-UHFFFAOYSA-N;151.07;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134055;MM134055;C=C(F)C(=O)NC(N)=O;BNQBQHXAGUJDOE-UHFFFAOYSA-N;132.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134056;MM134056;C=C(C)OC(=C)C(=C)C;PAKRZMHRRJHXNB-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134057;MM134057;C=C(C)C(=C)OC(C)=O;IPFWQVCMDDZCMA-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134058;MM134058;C=C(C)OC(=C)C(C)=O;JZBPSAHZTTUMOY-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134059;MM134059;C=C(OC(C)=O)C(=N)N;DIVDTNUEYYXTQA-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134060;MM134060;C=C(C)OC(=C)C(N)=O;WYPVUSZLTVZEDF-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134061;MM134061;Cn1[nH]c(O)nc1=NO;AMUZOODVZKZAEJ-UHFFFAOYSA-N;130.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134062;MM134062;C=C(C)OC(=O)C(=C)C;PKFBISBCCISXKA-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134063;MM134063;CC(C)=CC(C)C(C)C;WKDMFBIEIOFXIM-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134064;MM134064;CC(F)=CC(C)C(C)C;IOYCRVKAMVYXAX-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134065;MM134065;CC(C)C(C)C=C(F)F;RBCMYCITCJTMOL-UHFFFAOYSA-N;134.17;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134066;MM134066;CC(C)=CC(C)C(C)N;QSFHXDBJDHHQAZ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134067;MM134067;CC(F)=CC(C)C(C)N;SQGSRADMZGHLFL-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134068;MM134068;CC(N)C(C)C=C(F)F;HVHDGQMPDPOINS-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134069;MM134069;NC=NOC(=O)C(O)CO;XIVDTVLWSDROPZ-UHFFFAOYSA-N;148.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134070;MM134070;CC(F)=CC(C)C(C)O;XYQHXQAXCAYDLC-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134071;MM134071;CC(O)C(C)C=C(F)F;RJAWPFOSZTYTAA-UHFFFAOYSA-N;136.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134072;MM134072;CC(F)C(C)C=C(F)F;HVOYSPXSURCZRR-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134073;MM134073;CC(F)=CC(C)C(F)F;SJRHSHYESYXIGJ-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134074;MM134074;CC(C=C(F)F)C(F)F;NTXGVCXGMJTGIO-UHFFFAOYSA-N;142.1;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134075;MM134075;CC(C)=CC(N)C(C)C;OAKNCIPTEZQDPE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134076;MM134076;CC(F)=CC(N)C(C)C;HEGUSSUJZYLTEN-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134077;MM134077;CC(C)C(N)C=C(F)F;HFNBJUGOKKPLKH-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134078;MM134078;CC(F)=CC(N)C(C)N;VHKWAMBJANVCKX-UHFFFAOYSA-N;132.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134079;MM134079;CC(N)C(N)C=C(F)F;LKCWZHOARQJNLI-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134080;MM134080;CC(O)C(N)C=C(F)F;JZZWBLVZWXYZHA-UHFFFAOYSA-N;137.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134081;MM134081;CC(F)=CC(N)C(C)F;ZCKDVZNYALWFSO-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134082;MM134082;CC(F)C(N)C=C(F)F;PWHRCQIUSZEHBO-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134083;MM134083;NNC(=O)COCOC=O;QJOVOSVALBNCDH-UHFFFAOYSA-N;148.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134084;MM134084;CC(F)=CC(O)C(C)C;ARKJGIJGROCRAR-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134085;MM134085;CC(F)=CC(O)C(C)N;USIMOCFDDJRZPG-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134086;MM134086;CC(N)C(O)C=C(F)F;ZVYZFWCSUAGBDO-UHFFFAOYSA-N;137.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134087;MM134087;CC(O)C(O)C=C(F)F;FUDPRGUQNMZHNI-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134088;MM134088;CC(F)=CC(O)C(F)F;RFBIXTXNNZCMQF-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134089;MM134089;CC(C)=CC(F)C(C)C;LADCNWFXUJOUQR-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134090;MM134090;CC(C)C(F)C=C(F)F;DGETYQVICBUSMY-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134091;MM134091;CC(C)=CC(F)C(C)N;TVCRFCLYJQFNNI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134092;MM134092;CC(N)C(F)C=C(F)F;HYIZRPYCIQAJPV-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134093;MM134093;CC(C)=CC(F)C(C)F;RJQSKKXAKWOYRS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134094;MM134094;CC(F)C(F)C=C(F)F;WXILIEFRVVJSHI-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134095;MM134095;CC(C)=CC(F)C(F)F;MQQUOUWELPIMNJ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134096;MM134096;CC(C)=CC(C)N(C)C;FHNHTYPIRLNWEM-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134097;MM134097;CC(F)=CC(C)N(C)C;DCGHXDXMBVLMIP-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134098;MM134098;CC(C)=NN(C)C(C)C;YKAFVKDVTVONMP-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134099;MM134099;C=C(C)C(C)C=C(C)C;DCEJQXASPMCIBB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134100;MM134100;C=C(C)C(C)C=C(C)F;AZMSPIXPLWNPRI-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134101;MM134101;C=C(C)C(C)C=C(F)F;VXWDESRVQDHCTA-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134102;MM134102;CC(=O)C(C)C=C(C)C;CIPCQNVGYUAJJC-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134103;MM134103;CC(=O)C(C)C=C(C)F;FIAAMKKQNHPJDA-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134104;MM134104;CC(=O)C(C)C=C(F)F;GXHYMKRQWUVRPO-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134105;MM134105;CC(C)=CC(C)C(=N)N;YGDOKYOAQUZDEY-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134106;MM134106;CC(F)=CC(C)C(=N)N;UCDFZIQRKDGJEH-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134107;MM134107;C#CCN(OC)C(=O)NN;WGKRDAWDGBDRJB-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134108;MM134108;CC(C=C(F)F)C(N)=O;UMUDILSTSYUQLH-UHFFFAOYSA-N;135.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134109;MM134109;CC(C)=CC(C)C(=O)O;BMOSXUUJLUXGDE-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134110;MM134110;CC(C=C(F)F)C(=O)O;CXNVXNNZEKQWHM-UHFFFAOYSA-N;136.1;1.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134111;MM134111;C=C(F)C(C)C=C(F)F;UDWXRBFYXIFPEF-UHFFFAOYSA-N;136.12;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134112;MM134112;C=C(C)C(N)C=C(C)C;PBPXEGSNJZEQKP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134113;MM134113;C=C(C)C(N)C=C(C)F;VBJSSMLWXXAJEA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134114;MM134114;C=C(C)C(N)C=C(F)F;SXMWCMFQGBCVQU-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134115;MM134115;CC(F)=CC(N)C(=N)N;JYCBIXWTKHJMEG-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134116;MM134116;CC(F)=CC(O)C(=N)N;LRLQIGWDYGULKW-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134117;MM134117;N=C(N)C(O)C=C(F)F;XYIZEWJAOVJYGD-UHFFFAOYSA-N;136.1;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134118;MM134118;CC(F)=CC(O)C(N)=O;RRLJVVZRHYYZHW-UHFFFAOYSA-N;133.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134119;MM134119;NC(=O)C(O)C=C(F)F;IMPFGQYDTZGYLM-UHFFFAOYSA-N;137.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134120;MM134120;C=C(C)C(F)C=C(F)F;YOUJEKYRFPITFJ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134121;MM134121;CC(=O)C(F)C=C(C)F;VTVBHDNCKMUMMI-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134122;MM134122;CC(=O)C(F)C=C(F)F;FXLCOMBZRHDQHH-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134123;MM134123;CC(C)=CC(F)C(N)=O;AOWRVUUCLNRCEC-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134124;MM134124;CC(F)=CC(F)C(N)=O;FKRSEGXYZUVJTB-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134125;MM134125;CC(C)=CC(F)C(=O)O;HGSRQEBWJATMQB-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134126;MM134126;CC(=N)N(C)C=C(C)C;NEPRHTAIDWBRCH-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134127;MM134127;CC(=N)N(C)C=C(C)F;OESBEIIUIFHFNR-UHFFFAOYSA-N;130.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134128;MM134128;CC(=O)N(C)C=C(C)C;MCWIUVBUFLUMAM-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134129;MM134129;CC(=O)N(C)C=C(C)F;ULSHSFAVXPWLQZ-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134130;MM134130;CC(=O)N(C)C=C(F)F;NXHIQYVFAORCTI-UHFFFAOYSA-N;135.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134131;MM134131;CN(C=C(F)F)C(N)=O;SRRBDMIIUZMCGN-UHFFFAOYSA-N;136.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134132;MM134132;CC(F)=CN(N)C(=N)N;NDZCIJQQOVWOJH-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134133;MM134133;CC(=O)N(O)C=C(C)C;QAHPSAUKUNNSCT-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134134;MM134134;CC(F)=CN(O)C(=N)N;VERGJLALGVQTFV-UHFFFAOYSA-N;133.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134135;MM134135;CC(C)=NN(C)C(=N)N;RDWWYOCCTZDKOF-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134136;MM134136;COC(=N)N(C=N)NC=O;ZEYXOFNJPCSICZ-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134137;MM134137;C=C(C=C(C)C)C(C)C;VHYORVYXUOKDBD-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134138;MM134138;C=C(C=C(C)F)C(C)C;RXDSNYXPKCDPEV-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134139;MM134139;C=C(C=C(F)F)C(C)C;IQYUMLKSKAQNSH-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134140;MM134140;C=C(C=C(C)C)C(C)N;OGUISIPQXRKQJX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134141;MM134141;C=C(C=C(C)F)C(C)N;DFNSXJXTPSTKBJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134142;MM134142;C=C(C=C(F)F)C(C)N;RIKROJUKRNHJAQ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134143;MM134143;CN=CN(C=O)C(=O)NN;BAUGZLFIKKTXES-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134144;MM134144;C=C(C=C(C)F)C(C)O;OSVGJWIMBQLIBR-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134145;MM134145;C=C(C=C(F)F)C(C)O;JCHMIRQTRDNWQD-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134146;MM134146;C=C(C=C(F)F)C(C)F;AAZQEPJLAKTRHZ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134147;MM134147;CC(C)=CC(=O)C(C)C;DUUWYUKZDYZHDP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134148;MM134148;CC(N)=CC(=O)C(C)C;JMPAPJGGXOIEET-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134149;MM134149;CC(F)=CC(=O)C(C)C;GKZSMAHQNZODEZ-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134150;MM134150;CC(C)C(=O)C=C(F)F;XGXHYRFILIGQMN-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134151;MM134151;CC(C)=CC(=O)C(C)O;NYNXTKYUUVBWJL-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134152;MM134152;CC(F)=CC(=O)C(C)O;QLVQKTUHRBFWMF-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134153;MM134153;CC(C)=CC(=O)C(C)F;ARORTUFDCQTKEG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134154;MM134154;CC(F)C(=O)C=C(F)F;WFIMWMXWMKQGRX-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134155;MM134155;CC(C)=CC(=O)C(F)F;ULAADLFMVAGZGR-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134156;MM134156;O=C(C=C(F)F)C(F)F;YYEVTBNPGHVJEM-UHFFFAOYSA-N;142.05;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134157;MM134157;CC(C)=CC(=N)N(C)C;VGCRYWPIRNWYJA-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134158;MM134158;CC(N)=CC(=N)N(C)C;FATLDZJMDRPIQC-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134159;MM134159;CC(F)=CC(=N)N(C)C;MAJXNWCYOGJXMR-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134160;MM134160;CN(C)C(=N)C=C(N)N;VTBIXGPZVXRTAN-UHFFFAOYSA-N;128.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134161;MM134161;CC(C)=CC(=N)N(C)N;HHJVCWOKIAYNCN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134162;MM134162;CC(N)=CC(=N)N(C)N;ZGFRLRCTUBAYKZ-UHFFFAOYSA-N;128.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134163;MM134163;CN(O)C(=N)C=C(N)N;OKCLSVQIFFZVQI-UHFFFAOYSA-N;130.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134164;MM134164;CC=C(C(C)=NO)C(C)C;AMESDIXVVFVEAU-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134165;MM134165;CC(F)=CC(=O)N(C)C;MOTPLHXLXMRKEV-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134166;MM134166;CN(C)C(=O)C=C(N)N;OSBYEXNGAJJKOV-UHFFFAOYSA-N;129.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134167;MM134167;CN(C)C(=O)C=C(F)F;UXXWKFMOOAQHHF-UHFFFAOYSA-N;135.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134168;MM134168;CC(C)=CC(=O)N(C)N;OXKFITQEEOVFAF-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134169;MM134169;C#CC(C#N)CN1CC1C;OJOHVYLWIOUTQE-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134170;MM134170;CN(N)C(=O)C=C(N)N;CRETXKPRIDVSHW-UHFFFAOYSA-N;130.15;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134171;MM134171;CC(C)=CC(=O)N(C)O;CREOHLDEBGXIAP-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134172;MM134172;CC(N)=CC(=O)N(C)O;HOSLHSQSIXIPFY-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134173;MM134173;C=C(C)C(=C)C=C(C)C;BGWQBDSYHKJCLY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134174;MM134174;C=C(C)C(=C)C=C(C)F;PVNUBTLNAVFFQI-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134175;MM134175;C=C(C)C(=C)C=C(F)F;HMBDWUHAMBUHRY-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134176;MM134176;C=C(C=C(C)C)C(C)=O;DGVLWTDGMCCECG-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134177;MM134177;C=C(C=C(C)F)C(C)=O;IRGXRPSVYYZZEA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134178;MM134178;C=C(C=C(F)F)C(C)=O;YHVWKZZQQQNGRN-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134179;MM134179;C=C(C=C(C)C)C(=N)N;CRXQKNHVFAIAKI-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134180;MM134180;C=C(C=C(C)F)C(=N)N;VEDVDPYQMQCPMZ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134181;MM134181;C=C(C=C(F)F)C(=N)N;LGJONUGRUWZSSK-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134182;MM134182;C=C(C=C(C)C)C(=O)O;GRTPSLAMHOZPLK-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134183;MM134183;C=C(C=C(F)F)C(=O)O;MRXZPFXHRZRZED-UHFFFAOYSA-N;134.08;1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134184;MM134184;C=C(C)C(=O)C=C(C)C;JVBRPAMIBZCVLM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134185;MM134185;C=C(C)C(=O)C=C(C)N;MTFBIEWURALVLE-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134186;MM134186;C=C(C)C(=O)C=C(C)F;BGFXXMOTQIFDOJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134187;MM134187;C=C(C)C(=O)C=C(N)N;PZGMXBQVXXHESE-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134188;MM134188;C=C(C)C(=O)C=C(F)F;TVOGYUXONAGPPK-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134189;MM134189;CC(=O)C(=O)C=C(F)F;NCIQAAKKEFKHBX-UHFFFAOYSA-N;134.08;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134190;MM134190;CC(F)=CC(=O)C(=N)N;HYZMSLXKGCBTAI-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134191;MM134191;N=C(N)C(=O)C=C(N)N;ZIFCAVCQSWYURK-UHFFFAOYSA-N;128.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134192;MM134192;CC(N)=CC(=O)C(N)=O;JRIINAYLRSYYBK-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134193;MM134193;NC(=O)C(=O)C=C(N)N;CZYJIRVCCSPDHD-UHFFFAOYSA-N;129.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134194;MM134194;NN=c1n(N)nc(O)n1N;DAHILSJWBAAONT-UHFFFAOYSA-N;145.13;-3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134195;MM134195;CC(F)=CC(=O)C(=O)O;KXTUGVWDNJJROM-UHFFFAOYSA-N;132.09;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134196;MM134196;C=C(F)C(=O)C=C(F)F;KPBUKRHLVOHZSX-UHFFFAOYSA-N;136.07;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134197;MM134197;CC(=CC(C)C)C(C)C;INAZVWNRVMAPMR-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134198;MM134198;CC(=CC(C)N)C(C)C;FNJNXBAOAWJOCN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134199;MM134199;C=CNC1=NN=C(OC)C1;PZWQABTXVJMTSW-UHFFFAOYSA-N;139.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134200;MM134200;CC(=CC(C)F)C(C)C;GWGKWJCAUZDVQL-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134201;MM134201;CC(=CC(F)F)C(C)C;XONKQDGUZVLPIZ-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134202;MM134202;CC(=CC(C)C)C(C)N;HUSAQWOTGUUJKE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134203;MM134203;CC(=CC(C)F)C(C)N;HBXFBQVRILYEFP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134204;MM134204;CNNC(=O)C=CF;DUVSMUAEGYXGJY-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134205;MM134205;CC(=CC(C)N)C(C)O;KYIAMCDBYVLGCQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134206;MM134206;CC(=CC(C)O)C(C)O;ZBUKTHMGBOMYQJ-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134207;MM134207;CC(=CC(C)F)C(C)O;CELQRUIXVGFPHO-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134208;MM134208;CC(=CC(F)F)C(C)O;NYALHVPSGGNBRG-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134209;MM134209;CC(=CC(C)C)C(C)F;UEMOAEJCIQGORC-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134210;MM134210;CC(=CC(C)N)C(C)F;KXYPKEFJHCLKSN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134211;MM134211;CC(=CC(C)O)C(C)F;OPOQPMACPWKXOB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134212;MM134212;CC(=CC(C)F)C(C)F;JQMHZFWXFPUPTO-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134213;MM134213;CC(=CC(C)C)C(F)F;STPRFTVEMCHPKI-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134214;MM134214;CC(=CC(C)N)C(F)F;REUQZNYREDMBNB-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134215;MM134215;CC(=CC(C)O)C(F)F;KVNDWHGTKOMZDR-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134216;MM134216;CC(=CC(C)F)C(F)F;XKOUUJFGPJACSV-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134217;MM134217;CC(=CC(F)F)C(F)F;FZVUFOMFIJBETI-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134218;MM134218;CC(C)C=C(F)C(C)C;YNPUIJIKDRXYGX-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134219;MM134219;CC(N)C=C(F)C(C)C;NRSUHXNTTLOPNV-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134220;MM134220;CC(O)C=C(F)C(C)C;SVFCTXWDSZZPIW-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134221;MM134221;CC(F)C=C(F)C(C)C;GQZLQHUXTSQVOD-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134222;MM134222;CC(C)C(F)=CC(F)F;WEEULRHJWGPLFG-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134223;MM134223;CC(C)C=C(F)C(C)O;BYNRKPGITTZPFW-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134224;MM134224;CC(F)C=C(F)C(C)O;IPFNHCVCEDBIOU-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134225;MM134225;CC(N)C=C(F)C(C)F;CJSCNWGYZVLMPW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134226;MM134226;CC(O)C=C(F)C(C)F;PQRYIXRHBILVMK-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134227;MM134227;CC(=NN(C)C)C(C)C;UDKZYSYLFQAFMI-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134228;MM134228;CC(=NN(C)C)C(C)N;QQWKZPFVHLIREQ-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134229;MM134229;C=CC(=C)C(C)=NO;RCPIBXKDZAPMPZ-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134230;MM134230;CC=CC(CC)=NO;SYMJGHMYYIAQCZ-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134231;MM134231;CC(=NC(C)C)N(C)C;PZCMKUMWMHUQOX-UHFFFAOYSA-N;128.22;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134232;MM134232;CC(=NC(C)C)N(C)N;AIVMHZWWPBAUDR-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134233;MM134233;CC(=NC(C)C)N(C)O;XBLYVQOCTYXPCG-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134234;MM134234;CC(=NN(C)C)N(C)C;WSVVGXIHKJFWGP-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134235;MM134235;C=C(C)C=C(C)C(C)C;YHAHVXZXODWMLD-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134236;MM134236;CC(=O)C=C(C)C(C)C;VUHKPAJOGSYXMN-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134237;MM134237;CC(=CC(=N)N)C(C)C;DXLXOOPRQJMAAC-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134238;MM134238;CC(=NO)NN1CC1;VIBCGKYSXFYEIP-UHFFFAOYSA-N;115.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134239;MM134239;CC(=CC(=O)O)C(C)C;BLROLNSSBGCUAD-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134240;MM134240;C=C(F)C=C(C)C(C)C;ZSHYRKZADPFHJB-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134241;MM134241;C=C(C)C=C(C)C(C)N;UZHJYAKXFKUKAI-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134242;MM134242;CC(=CC(N)=O)C(C)N;ORECWBZHERXRSY-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134243;MM134243;C=C(F)C=C(C)C(C)N;NGGDIJRTNNTBOP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134244;MM134244;N=CNC(=O)NCCF;XPHIXJATAZNRJY-UHFFFAOYSA-N;133.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134245;MM134245;CC(=CC(=N)N)C(C)O;INNPYMRJLPKXGR-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134246;MM134246;N=CNC(=O)C=CC=O;SHHZZZDVINSYHS-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134247;MM134247;CN=c1ccnc(O)n1O;YJLLGEHZWWRWBO-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134248;MM134248;C=C(F)C=C(C)C(C)O;JVRUACHFUCUNAL-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134249;MM134249;C=C(C)C=C(C)C(C)F;XIWSAPZGDHTGBD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134250;MM134250;CC(=O)C=C(C)C(C)F;YWKGMECPXJUWNA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134251;MM134251;CC(=CC(=N)N)C(C)F;VCZGYYKDETXKKN-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134252;MM134252;CC(=CC(=O)O)C(C)F;XEXQHGVUWSXWTK-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134253;MM134253;CC(=O)C=C(C)C(F)F;ZYHXRNVSXVIXLX-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134254;MM134254;CC(=CC(=N)N)C(F)F;CRJYKRRMXWSHBH-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134255;MM134255;CC(=CC(=O)O)C(F)F;YNBKDAZJXBTDFV-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134256;MM134256;CC(=O)C=C(N)C(C)C;VDTUXRJIEGPYGH-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134257;MM134257;CC(C)C(N)=CC(=N)N;MXJTXEUIWNZARN-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134258;MM134258;CCC(C)C=CC=NO;GSZDMOWVIWYGBB-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134259;MM134259;CC(N)C(N)=CC(=N)N;ISVRRTPIJWMXMO-UHFFFAOYSA-N;128.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134260;MM134260;CC(N)C(N)=CC(N)=O;CHHJLNPBGZHLFA-UHFFFAOYSA-N;129.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134261;MM134261;CC(O)C(N)=CC(=N)N;YOKZIFDZIKTMRI-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134262;MM134262;CC(O)C(N)=CC(N)=O;RITVDFRGBRVOAV-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134263;MM134263;O=C1CC(=O)NN1;DNTVKOMHCDKATN-UHFFFAOYSA-N;100.08;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134264;MM134264;CC(=O)C=C(N)C(C)F;PFSRYROCPHYWCR-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134265;MM134265;CC(F)C(N)=CC(=N)N;RLATYBZPAKHKGS-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134266;MM134266;NC(=O)n1nc(O)c(=O)o1;HYGAVTMKMQBSNJ-UHFFFAOYSA-N;145.07;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134267;MM134267;C=C(C)C=C(F)C(C)C;YCNNCRZITPUFLI-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134268;MM134268;CC(C)C(F)=CC(=N)N;XYEYIONBEUBEIA-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134269;MM134269;C=C1CC(=NO)NC1=C;OEWCSNMTHSOOHO-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134270;MM134270;CC(C)C(F)=CC(=O)O;FVKCAGGVAUYTNB-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134271;MM134271;CC(N)C(F)=CC(=N)N;IYPCCDMMXJHGRG-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134272;MM134272;C=C(C)C=C(F)C(C)O;RFQUKFRMOUVOMD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134273;MM134273;CC(=O)C=C(F)C(C)O;RDBUFCXUCBCNQZ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134274;MM134274;CC(F)C(F)=CC(=N)N;HDEYLTJERIHNBN-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134275;MM134275;CC(F)C(F)=CC(N)=O;ACENJCRGEVUARP-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134276;MM134276;CC(=CC(=N)N)N(C)C;HEPFTRRISJMXRK-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134277;MM134277;C=CC1=CCC(=NO)N1;OBMHNQJSOHUAQF-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134278;MM134278;CC(=NO)N(C)N1CC1;HOTHKVVCPPMURB-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134279;MM134279;CC(F)C(O)C(=O)N(C)N;GAORCYWTMWLXBA-UHFFFAOYSA-N;150.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134280;MM134280;C=C(C)C(C)=CC(C)C;MWKUDDUBLFLZAM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134281;MM134281;C=C(C)C(C)=CC(C)N;ORCYLWRUUKGUDS-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134282;MM134282;C=CC(F)CN(C)C=NO;VXHGHCMAWHLVHA-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134283;MM134283;C=C(C)C(C)=CC(C)F;FKBPWPYUIXNAKL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134284;MM134284;C=C(C)C(C)=CC(F)F;WHGYLROIZWSIEA-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134285;MM134285;CC(=O)C(C)=CC(C)C;AXZFDNRZRXXTJP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134286;MM134286;CC(=O)C(C)=CC(C)F;IHMWWGJTNKTCGI-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134287;MM134287;CC(=O)C(C)=CC(F)F;DCKMTGROEVROHT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134288;MM134288;CC(=CC(C)C)C(=N)N;PFEMFPZMOKMONZ-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134289;MM134289;CC(=CC(C)N)C(=N)N;LRISYQIHPTWVNU-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134290;MM134290;CC(=CC(C)O)C(=N)N;QQMZTZDCSGHKAR-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134291;MM134291;CC(=CC(C)F)C(=N)N;OSVWSQGOYSQMIR-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134292;MM134292;CC(=CC(F)F)C(=N)N;RDGMCTCBOQOKPJ-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134293;MM134293;C=CC(C)=CC(=O)NC=N;CWMFWMHHSVAIAF-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134294;MM134294;CC(=CC(C)N)C(N)=O;JIDYGOFSLDMWFJ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134295;MM134295;C=CNC(=NO)NC(N)=O;GUJYIZIRKCDZDY-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134296;MM134296;C#CCNNC(=O)NNC;PCNINGTUPTZXHO-UHFFFAOYSA-N;142.16;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134297;MM134297;CC(=CC(C)C)C(=O)O;DMHLGGQHOSTMJG-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134298;MM134298;CC(=CC(C)F)C(=O)O;QPYWFTBSAMEJGO-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134299;MM134299;CC(=CC(F)F)C(=O)O;HXOKMXDYBNCQPV-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134300;MM134300;C=C(F)C(C)=CC(C)C;IFRDWOQWXZYJBV-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134301;MM134301;C=C(F)C(C)=CC(C)N;CFJMQRVHPLOMHH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134302;MM134302;C=C(F)C(C)=CC(C)O;WWPWSJFLTIRHTN-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134303;MM134303;C=C(F)C(C)=CC(F)F;VCKKGEAYWWLMMG-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134304;MM134304;C=C(C)C(F)=CC(C)C;LDRSVSSFZJBZQY-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134305;MM134305;C=C(C)C(F)=CC(C)N;QVVKMCGCOMTEHB-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134306;MM134306;C=C(C)C(F)=CC(C)O;MURFOQXISUHPAL-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134307;MM134307;C=C(C)C(F)=CC(C)F;LGFOHMRPGZWUJB-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134308;MM134308;C=C(C)C(F)=CC(F)F;DIUPNAWRLULTCY-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134309;MM134309;CC(=O)C(F)=CC(C)C;ZZSBJVWEFLVNCO-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134310;MM134310;CC(=O)C(F)=CC(C)O;HDVKAFYNKWRNSC-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134311;MM134311;CC(=O)C(F)=CC(C)F;ONAFWCYKZJSHQG-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134312;MM134312;CC(F)C=C(F)C(N)=O;BKIDJCLXLFLOHC-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134313;MM134313;CC(C)C=C(F)C(=O)O;VLTPEXOVJIWAIE-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134314;MM134314;C=C(F)C(F)=CC(C)N;NIDPWHDLWIOAQR-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134315;MM134315;CC(=CN(C)C)C(=N)N;JVPFHHCVPSWZBK-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134316;MM134316;CNNC(=O)C1(C)OC1C;CJQAAEXMKGQZAS-UHFFFAOYSA-N;144.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134317;MM134317;Cn1nc(CC#N)nc1N;ISCQPRZKWAVCGE-UHFFFAOYSA-N;137.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134318;MM134318;C#CC1(O)C=NN(C=N)C1;MSMAUZGGAUPDDT-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134319;MM134319;C=C(F)C(C)=NN(C)C;JOLBTXLVVYYZLY-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134320;MM134320;C=C(C)C=C(C)C(=C)C;BGVMQLSBQHXEDS-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134321;MM134321;C=C(C)C(C)=CC(C)=O;CGBLVMKFHRACGZ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134322;MM134322;C=C(C)C(C)=CC(=N)N;SDWFTYBOEFGXCP-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134323;MM134323;CCOC(=NO)N(C)CC;SDMIVKDXZCMEBQ-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134324;MM134324;C=C(C)C(C)=CC(=O)O;JFGDQTHONXCLKL-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134325;MM134325;C=C(F)C=C(C)C(=C)C;WQMMGAFZANSHPO-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134326;MM134326;C=C(C)C=C(C)C(C)=O;LLJFBISETFUUPB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134327;MM134327;CC(=O)C=C(C)C(C)=O;SGWFXGZCQBUONH-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134328;MM134328;CC(=O)C(C)=CC(=N)N;GKMNIXSSEGPKMH-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134329;MM134329;C=C(F)C=C(C)C(C)=O;KZKWVERYAJZPJB-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134330;MM134330;C=C(C)C=C(C)C(=N)N;OXHCRWXWFLABEN-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134331;MM134331;CC(=O)C=C(C)C(=N)N;KDGYBNBNNVAXKK-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134332;MM134332;CC(=CC(=N)N)C(=N)N;ZBIIEDHDWNMFDZ-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134333;MM134333;CC(=CC(N)=O)C(=N)N;AXJKWFHMXFMGQN-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134334;MM134334;C=C(F)C=C(C)C(=N)N;HPPQZOKTDSVASF-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134335;MM134335;C=CN(O)C(=NO)NNC;OEWXUGMWECSGJI-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134336;MM134336;C#CC=C(CF)C(=O)NN;IFJDRKSQZRZKKE-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134337;MM134337;CC(=CC(=N)N)C(N)=O;LIFFRKZKQJBEAG-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134338;MM134338;C#CCONC(=NO)NN;PXHPZIDRTVXPRW-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134339;MM134339;C=CC(C=O)C(=O)C#N;DRTSPMJTQHNKMA-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134340;MM134340;CCC1(C(=O)NNC)CO1;VDGZYJFFZSVFSZ-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134341;MM134341;C=C(C)C=C(C)C(=O)O;UUJLHXIHPAGZAB-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134342;MM134342;C=C(F)C=C(C)C(=O)O;HNVPYEMNDNQKKJ-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134343;MM134343;C=C(F)C(C)=CC(C)=O;STRRUJKLRKCKKI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134344;MM134344;C=C(F)C(C)=CC(=N)N;SARYMJYISGVJFL-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134345;MM134345;C=C1CCC(=NO)C=C1C;SUOPOJKVXMFVMK-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134346;MM134346;C=C(F)C(C)=CC(=O)O;WHKYZJKISOWIQB-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134347;MM134347;C=C(F)C=C(C)C(=C)F;OLFQJYCBQSMKDU-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134348;MM134348;C=C(C)C(N)=CC(C)=O;RPOCJBSAPIEWRV-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134349;MM134349;N=C(N)C=C(N)C(=N)N;MAGSYJQKFXNLGL-UHFFFAOYSA-N;127.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134350;MM134350;N=C(N)C(N)=CC(N)=O;VCTJBNGXIMTEAA-UHFFFAOYSA-N;128.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134351;MM134351;N=C(N)C=C(N)C(N)=O;PRZYBYCFVCGEDG-UHFFFAOYSA-N;128.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134352;MM134352;CC(C)C1=CC(=NO)NC1;OHUFSQSYRRFOGP-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134353;MM134353;CC1(C#N)CC(C=O)C1=O;HXADCVWUCPRWIG-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134354;MM134354;CCC1CC(C=O)C1=O;UGPHWOAMNOTZEI-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134355;MM134355;C=C(F)C(N)=CC(C)=O;DJNJAAGXEAUTNZ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134356;MM134356;C=C(F)C(N)=CC(=N)N;ALLRQLAKZMESJS-UHFFFAOYSA-N;129.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134357;MM134357;C=C(C)C=C(F)C(=C)C;XMQOSZRMIZNWAF-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134358;MM134358;C=C(C)C(F)=CC(C)=O;HWSATKQRSBHVGB-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134359;MM134359;C#CCC1=NC(C#N)CN1;DTFBOEMHFRQXFD-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134360;MM134360;C=C(C)C(F)=CC(=O)O;YCZSMODBMCKOHM-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134361;MM134361;C=C(F)C=C(F)C(=C)C;HAKFAUPBZQKVPP-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134362;MM134362;CC(=O)C(F)=CC(=N)N;WCJXCPZMRZPGLG-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134363;MM134363;N=C(N)C=C(F)C(=N)N;SKKRJSHOIBWBEW-UHFFFAOYSA-N;130.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134364;MM134364;C=C(C)C=C(F)C(N)=O;ZEQGQEMOVJLJSE-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134365;MM134365;N=C(N)C=C(F)C(N)=O;CPNLXMSPVLDRLM-UHFFFAOYSA-N;131.11;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134366;MM134366;NC(=O)C=C(F)C(N)=O;PAHQFOAFEYAKLP-UHFFFAOYSA-N;132.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134367;MM134367;C=C(C)C=C(F)C(=O)O;OOZNKTRKISULCE-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134368;MM134368;C=C(F)C(F)=CC(C)=O;AKVLJPRZGMNQRK-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134369;MM134369;C=C(F)C(F)=CC(=N)N;NFKKCNRQQSGILG-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134370;MM134370;CC(C)=C(C)CC(C)C;ZPUQPCQFHKREMH-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134371;MM134371;CC(C)=C(C)CC(C)N;QVONWBKEGIZOTQ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134372;MM134372;C=CCc1c[nH]c(CF)n1;QTRQEQRPWCCLKM-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134373;MM134373;CC(C)=C(C)CC(C)F;VWDRJXPDJGMXOT-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134374;MM134374;CC(C)=C(C)CC(F)F;WLWOKRUUGFVCOQ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134375;MM134375;CC(F)=C(C)CC(C)C;QSPSJJSMITYFGZ-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134376;MM134376;CC(F)=C(C)CC(C)O;AHQADZMSGFBUFG-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134377;MM134377;CC(F)=C(C)CC(C)F;ZLTWMUATUHSMBE-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134378;MM134378;CC(F)=C(C)CC(F)F;PJPDEXSUVKDDCQ-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134379;MM134379;CC(CC(C)C)=C(F)F;IPTCSPOBTSZRGE-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134380;MM134380;CC(CC(C)N)=C(F)F;ONMBBKYUSOWQMZ-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134381;MM134381;CC(CC(C)O)=C(F)F;FTCCLYNONTVVDZ-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134382;MM134382;CC(CC(C)F)=C(F)F;XARFKUMNKYRGAY-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134383;MM134383;CC(C)=C(F)CC(C)C;YTMRVVZCWKQPGZ-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134384;MM134384;CC(C)=C(F)CC(C)O;VCDHVWLQTUJSQL-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134385;MM134385;CC(C)=C(F)CC(C)F;QGAYOIQMMRNSDZ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134386;MM134386;CC(C)=C(F)CC(F)F;FECKGKQLWORFOT-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134387;MM134387;CC(F)=C(F)CC(C)C;KVSMDRMWNNUEMK-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134388;MM134388;CC(F)=C(F)CC(C)N;OOIVISAUNGJWEG-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134389;MM134389;CC(F)=C(F)CC(C)O;LXZROHAGZAWJBQ-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134390;MM134390;CC(F)=C(F)CC(C)F;XXWDPTAEWCERPI-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134391;MM134391;CC(N)CC(F)=C(F)F;QZKGAJXDEUOQJZ-UHFFFAOYSA-N;139.12;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134392;MM134392;CC(C)=C(C)OC(C)C;ABMNFPHVMBBGPI-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134393;MM134393;CC(C)=C(C)CN(C)C;RMROAFFSFMPZDD-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134394;MM134394;CC(F)=C(C)CN(C)C;XGUHVFTUAXCRLT-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134395;MM134395;CN(C)CC(F)=C(F)F;YUCPPQFEVDVDKY-UHFFFAOYSA-N;139.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134396;MM134396;C=C(C)CC(C)=C(C)C;WABLBSLDZBFXQN-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134397;MM134397;CC(=O)CC(C)=C(C)C;UMVPODZRAZZFCG-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134398;MM134398;CC(C)=C(C)CC(=N)N;JDQMCARIQJKMIH-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134399;MM134399;C=C(F)CC(C)=C(C)C;MSUIQYNZLMJNHV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134400;MM134400;C=C(C)CC(C)=C(C)F;MKTLDECPXLWZMV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134401;MM134401;CC(=O)CC(C)=C(C)F;CRDIEQOTFGQXJH-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134402;MM134402;CC(F)=C(C)CC(=N)N;YDHQUDPLHJPHST-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134403;MM134403;C=C(F)CC(C)=C(C)F;WMLNNDRHILAZDJ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134404;MM134404;C=C(C)CC(C)=C(F)F;PWGASNMLAVOIEH-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134405;MM134405;CC(=O)CC(C)=C(F)F;YTANDQDCJIQGCM-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134406;MM134406;CC(CC(N)=O)=C(F)F;UJEQFGGJFJTPRD-UHFFFAOYSA-N;135.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134407;MM134407;CC(CC(=O)O)=C(F)F;IPYJSMVMPYSQAK-UHFFFAOYSA-N;136.1;1.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134408;MM134408;C=C(C)CC(F)=C(C)C;YTBRJQQXBYEYIO-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134409;MM134409;CC(=O)CC(F)=C(C)C;MRJNZGRUMMWWRY-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134410;MM134410;CC(C)=C(F)CC(=N)N;NBQMGBLARAUFDX-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134411;MM134411;CC(C)=C(F)CC(=O)O;WVEDGOPVGPQODM-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134412;MM134412;C=C(F)CC(F)=C(C)C;GQCUHMZMXKOCGL-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134413;MM134413;C=C(C)CC(F)=C(C)F;ZNCYXWLMHJWZEK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134414;MM134414;CC(=O)CC(F)=C(C)F;OEXHUCQWYQAUMY-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134415;MM134415;CC(F)=C(F)CC(N)=O;PFUXTKVVILKWLA-UHFFFAOYSA-N;135.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134416;MM134416;CC(F)=C(F)CC(=O)O;AEMRBZDKFNFMDD-UHFFFAOYSA-N;136.1;1.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134417;MM134417;C=C(C)CC(F)=C(F)F;RZKIAFDHDGHTPE-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134418;MM134418;CC(=O)CC(F)=C(F)F;APEKXIVAKCOTSA-UHFFFAOYSA-N;138.09;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134419;MM134419;NC(=O)CC(F)=C(F)F;PYFKXUGCFWGUGQ-UHFFFAOYSA-N;139.08;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134420;MM134420;CC(=N)NC(C)=C(C)C;FWVRZJCLJRYFGG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134421;MM134421;CC(=O)NC(C)=C(C)C;MVEOXOHRHZCIJA-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134422;MM134422;CC(=N)NC(C)=C(C)F;DSVFALGEZQDGOQ-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134423;MM134423;CC(=O)NC(C)=C(C)F;HXHXIAGGNLPAST-UHFFFAOYSA-N;131.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134424;MM134424;CC(=N)NC(C)=C(F)F;PLBBZSSTDVWYKV-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134425;MM134425;CC(=O)NC(C)=C(F)F;FRIADNWNTCBWMK-UHFFFAOYSA-N;135.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134426;MM134426;CC(NC(=N)N)=C(F)F;SSWUDLFBPPJVRB-UHFFFAOYSA-N;135.12;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134427;MM134427;C=C(C)OC(C)=C(C)C;QKYBYHCCUYAFJF-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134428;MM134428;CC(=O)OC(C)=C(C)C;GFUSSNHNFRXUHB-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134429;MM134429;C=C(C)OC(C)=C(C)F;CDIYRFDLAWNDOV-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134430;MM134430;CC(=O)OC(C)=C(C)F;GMQGGFIWBBFTRH-UHFFFAOYSA-N;132.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134431;MM134431;C=C(C)OC(C)=C(F)F;PEKQLZRUGSHYAR-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134432;MM134432;CC(=O)OC(C)=C(F)F;BOWQODCZRBTRQH-UHFFFAOYSA-N;136.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134433;MM134433;CC(C)=CC(C)=C(C)C;QDXHAIXUUZMTLO-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134434;MM134434;CC(F)=CC(C)=C(C)C;WGOOEYQRCVRXKW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134435;MM134435;CC(C)=C(C)C=C(F)F;DTCALESUCBDVAK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134436;MM134436;CC(C)=CC(C)=C(C)F;ZFKPNBYPFOFOAQ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134437;MM134437;CC(F)=CC(C)=C(C)F;KOXOMRVLBHQMIY-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134438;MM134438;CC(F)=C(C)C=C(F)F;FIEQCQHABWZRTQ-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134439;MM134439;CC(C)=CC(C)=C(F)F;PXUZFVWBVZHUGL-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134440;MM134440;CC(F)=CC(C)=C(F)F;KTCKEJHISRUOHZ-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134441;MM134441;CC(C=C(F)F)=C(F)F;UTIDXVIFLLWZDW-UHFFFAOYSA-N;140.08;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134442;MM134442;CC(C)=CC(F)=C(C)C;FXVBARYOUBBHJK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134443;MM134443;CC(F)=CC(F)=C(C)C;KCTMRIOIMHLUDX-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134444;MM134444;CC(C)=C(F)C=C(F)F;RNFGXNVYYNIRJP-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134445;MM134445;CC(F)=CC(F)=C(C)F;FOPWURWZCRMIQE-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134446;MM134446;CC(F)=C(F)C=C(F)F;FYHMWTYLMLYYKI-UHFFFAOYSA-N;140.08;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134447;MM134447;CC(C)=CC(F)=C(F)F;QYLXTOHOBZWPJV-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134448;MM134448;FC(F)=CC(F)=C(F)F;GYMLLFSTNRFMDH-UHFFFAOYSA-N;144.04;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134449;MM134449;CCCC1CC(C)(C)C1;QTNMZBOJVPSBSK-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134450;MM134450;CC1(C)CC(CCN)C1;PMXKBBBXVVMJQB-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134451;MM134451;CCC1CCC(=NO)N1C;OEQUDIQVQHJNOO-UHFFFAOYSA-N;142.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134452;MM134452;CCCC1CC(C)(N)C1;YAQXQFTVJHVCKB-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134453;MM134453;CC1(N)CC(CCN)C1;KFRWQRVENWWSCK-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134454;MM134454;CC1(N)CC(CCO)C1;ORHRKZJWVNZOIX-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134455;MM134455;ON=CNCCCC=CF;OJFREKIZCXLAPO-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134456;MM134456;CC1(O)CC(CCN)C1;PUOOZGAFSHHFGZ-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134457;MM134457;CCCC1CC(C)(F)C1;FXOWKJSNGIIIHJ-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134458;MM134458;CC1(F)CC(CCN)C1;OBJRXMCPERNFSJ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134459;MM134459;CCCC1CC(F)(F)C1;JZUGYOCVQQDVKZ-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134460;MM134460;NCCC1CC(F)(F)C1;QMARHLUHBNUGCS-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134461;MM134461;CNCC1CC(C)(N)C1;DNZWEMLKKNYSRY-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134462;MM134462;CNCC1CC(C)(O)C1;DOXLPPWUAOIOSP-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134463;MM134463;CNCC1CC(C)(F)C1;BNWVAVXFWUGESD-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134464;MM134464;CCNC1CC(C)(C)C1;DBUUOHUURYVGEP-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134465;MM134465;CCNC1CC(C)(N)C1;BUEGRSITCUDFSH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134466;MM134466;CCNC1CC(F)(F)C1;SNNAAGSUMGHKIU-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134467;MM134467;CCOC1CC(C)(O)C1;GCAQCOSEYQSOPZ-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134468;MM134468;CCCC1CC(C)(C)N1;GUSHPZKIOBUXFZ-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134469;MM134469;CC1(C)CC(CCN)N1;GSFXFCWPJXLBQB-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134470;MM134470;CNCC1CC(C)(C)N1;CLMPYHVODXLAGL-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134471;MM134471;CCCC1CC(C)(C)O1;NDKPJJFZBUIWJJ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134472;MM134472;CC1(C)CC(CCN)O1;GVQRNPWHVCOGPU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134473;MM134473;CCCN1CC(C)(N)C1;JBABMNUTAICCED-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134474;MM134474;CC1(O)CN(CCN)C1;FDVLQYKCOYIZSS-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134475;MM134475;CC1(F)CN(CCN)C1;ZNOPPKJQGWBZPA-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134476;MM134476;CCCN1CC(F)(F)C1;UVDHHZDORWJECV-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134477;MM134477;C=CCC1CC(C)(C)C1;UKNCVLXQEDESFM-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134478;MM134478;CC1(C)CC(CC=O)C1;SNFNLHNHRQAMOD-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134479;MM134479;CC1(C)CC(CC#N)C1;CILLCBIISHUFGI-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134480;MM134480;C=CCC1CC(C)(N)C1;PZGHOWRLWFYADY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134481;MM134481;C=CC1=CCC(=NO)CC1;MRIFTLUNAJWAAH-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134482;MM134482;N#CCc1c[nH]cn1;DQZBHUXBFNBJLX-UHFFFAOYSA-N;107.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134483;MM134483;C=C(C=CC)C(C)=NO;WLZAGBJOKNLNQP-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134484;MM134484;C=CCC1CC(C)(F)C1;RQHBWMQUZUIAME-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134485;MM134485;CC1(F)CC(CC=O)C1;HXHQZUUTFGJXQX-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134486;MM134486;CC1(F)CC(CC#N)C1;FVFSRIUESOJNRX-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134487;MM134487;N#CCC1CC(F)(F)C1;GCUBKZXHAKEOKP-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134488;MM134488;CC1(C)CC(NC=N)C1;PREBCURJAPKZKM-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134489;MM134489;CCC=CC(CC)=NO;GBWHFHIUGJYFJS-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134490;MM134490;CC1(N)CC(NC=N)C1;BKFHIZBGBPJFBH-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134491;MM134491;CC1(N)CC(NC=O)C1;QZZKPNQKHYJXSK-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134492;MM134492;CC1(O)CC(NC=N)C1;JQHZJDNGCWPXIK-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134493;MM134493;CC1(F)CC(NC=N)C1;CJLYBHCYYSHPLG-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134494;MM134494;N=CNC1CC(F)(F)C1;XLGUVYHJKUKRSY-UHFFFAOYSA-N;134.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134495;MM134495;CCc1c[nH]c(OC)n1;CCMDWJWLTAGDKP-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134496;MM134496;C=NNC1CC(C)(F)C1;ZIFYHKANDOVREF-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134497;MM134497;C=NNC1CC(F)(F)C1;OKYBKUXLCWQGSN-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134498;MM134498;C=COC1CC(C)(C)C1;GNLMIXYVQKWQJL-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134499;MM134499;CC1(C)CC(OC=O)C1;VVUPPRJAXULNRF-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134500;MM134500;C=COC1CC(C)(N)C1;JHALVAIXHHKVBA-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134501;MM134501;C=COC1CC(C)(F)C1;BFNFDFPGUYUUOC-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134502;MM134502;C=COC1CC(F)(F)C1;LGJRHICXWLIVEJ-UHFFFAOYSA-N;134.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134503;MM134503;C=NOC1CC(C)(N)C1;RYRSDZPGEAUTQN-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134504;MM134504;C=CCC1CC(C)(C)N1;OEIVSMIIIVOTMQ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134505;MM134505;CC1(C)CC(CC=O)N1;XHOVBMBGDWGWRZ-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134506;MM134506;CC1(C)CC(CC#N)N1;DMYZHLOTYODAMK-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134507;MM134507;C=CCC1CC(C)(C)O1;QUKQMEMBZTWIHA-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134508;MM134508;CC1(C)CC(CC=O)O1;ZIOBRRGHNSYVBL-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134509;MM134509;CC1(C)CC(CC#N)O1;PAIANLSKGSSDDX-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134510;MM134510;C=CCN1CC(C)(C)C1;IIADNQGTZIUXKJ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134511;MM134511;CC1(C)CN(CC#N)C1;PIQFKOFABKSDHZ-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134512;MM134512;C=CCN1CC(C)(F)C1;CXEXBOVCEBDGIG-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134513;MM134513;CC1(F)CN(CC#N)C1;HQTWJKOKMHMSMD-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134514;MM134514;C=CCN1CC(F)(F)C1;KAOKTEIVKXYNJN-UHFFFAOYSA-N;133.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134515;MM134515;N#CCN1CC(F)(F)C1;DEELHRBCNRVHOR-UHFFFAOYSA-N;132.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134516;MM134516;CC1(C)CN(NC=N)C1;MHNOYTLBQNDWKT-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134517;MM134517;CC1(C)CN(NC=O)C1;QWVBFISIGRVJHA-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134518;MM134518;CC1(N)CN(NC=N)C1;DNQXDALRAIVRML-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134519;MM134519;CC1(O)CN(NC=N)C1;YSIXAOWQKXCMRV-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134520;MM134520;C#CCC1CC(C)(C)C1;XPMAKTKDGSRINT-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134521;MM134521;C#CCC1CC(C)(N)C1;YVHQGNCNFXUSOZ-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134522;MM134522;C=C(NC=NO)C1CC1;FXMMVJLOLIMLHC-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134523;MM134523;C#CCC1CC(C)(F)C1;RJLWWDKEBBOJCG-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134524;MM134524;C#CCC1CC(F)(F)C1;ROCDCNKIPXWFKS-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134525;MM134525;C#CCC1CC(C)(C)N1;AUGWHIPTKOXLQL-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134526;MM134526;C#CCC1CC(C)(C)O1;ZUVVYWYSPIMJJV-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134527;MM134527;C#CCN1CC(C)(N)C1;OXEMRJQCIUBLLJ-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134528;MM134528;C#CCN1CC(C)(F)C1;NBAQCLUYXHCLCQ-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134529;MM134529;CC=CC1CC(C)(C)C1;LQRQUPVCTLEVIK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134530;MM134530;CC=CC1CC(C)(N)C1;HPGGNSWOVXGJTA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134531;MM134531;C=C(C)C=CC(=O)NC=N;IUFMUDLYJKKBIP-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134532;MM134532;CC=CC1CC(C)(F)C1;GQOXXUQQCDOOGE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134533;MM134533;CC=CC1CC(F)(F)C1;JMACPCVOSRFHDY-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134534;MM134534;CC=CC1CC(C)(C)N1;HZDIPHILOUWIBO-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134535;MM134535;CC=CC1CC(C)(C)O1;HSURFCCUBADEAU-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134536;MM134536;CN=CN1CC(C)(C)C1;MJGNCQXAWZTDLJ-UHFFFAOYSA-N;126.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134537;MM134537;CN=CN1CC(C)(N)C1;DCEFEXRHLBRSTC-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134538;MM134538;CN=CN1CC(C)(O)C1;KGGZWHKXMIIHFK-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134539;MM134539;CN=CN1CC(C)(F)C1;RZXAVQIIYDDGGU-UHFFFAOYSA-N;130.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134540;MM134540;CC(=CCO)NC(C)=NO;JTZFQZKVEMSHII-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134541;MM134541;CC=NN1CC(C)(C)C1;UILBAAHZSBEVPR-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134542;MM134542;CC=NN1CC(C)(N)C1;ZKFOYQKEQSQIND-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134543;MM134543;CC(=CC(=O)NC=N)CO;RHTPOGMOOVFPCR-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134544;MM134544;CC=NN1CC(C)(F)C1;DUIYNLMZKBDRJZ-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134545;MM134545;CC=NN1CC(F)(F)C1;GCUSEIXIGBLSBG-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134546;MM134546;CC#CC1CC(C)(C)C1;PPNLPTRWJITLDJ-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134547;MM134547;CC#CC1CC(C)(N)C1;MZIPWZGRRIGXCF-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134548;MM134548;CC(C)CC(=NO)N(C)N;CEMAUQQGUPASQV-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134549;MM134549;CC#CC1CC(C)(F)C1;CODCWWSDNQDJFQ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134550;MM134550;CC#CC1CC(F)(F)C1;UPURWMZSDGPGLI-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134551;MM134551;CC#CC1CC(C)(C)N1;UQHXYXOLWGPSSN-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134552;MM134552;CC#CC1CC(C)(C)O1;HSBNORMDJIGFTF-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134553;MM134553;CC(C)C1C(C)C1(C)C;JBZYRTIXRJWHTJ-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134554;MM134554;CC(N)C1C(C)C1(C)C;CRMFPGCMVIWRSM-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134555;MM134555;CC=CC=CC(=O)NC=N;RYFKJJWFXPJRKT-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134556;MM134556;CC(F)C1C(C)C1(C)C;INSUQYKTDOZHGY-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134557;MM134557;CC1C(C(F)F)C1(C)C;ZVXLNQGYMILXCJ-UHFFFAOYSA-N;134.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134558;MM134558;CC(C)C1C(N)C1(C)C;RPNOXEYZXBCLAJ-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134559;MM134559;CC(N)C1C(N)C1(C)C;UYUFKUCHOBOOSY-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134560;MM134560;CC(O)C1C(N)C1(C)C;QRNJFOUGQQPKHF-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134561;MM134561;CC(F)C1C(N)C1(C)C;QBMWDUKNBQTDKG-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134562;MM134562;CC(=NO)NCC1(F)CC1;BLLHGPZNBDMGFV-UHFFFAOYSA-N;146.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134563;MM134563;CC(C)C1C(C)C1(C)N;ZBWNFZLICLEESC-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134564;MM134564;CC(N)C1C(C)C1(C)N;RVMOIIGGKVICAZ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134565;MM134565;CC(O)C1C(C)C1(C)N;IGJYCISRMOPVMN-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134566;MM134566;CC(F)C1C(C)C1(C)N;FEDMQFRTOOWXBB-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134567;MM134567;CC1C(C(F)F)C1(C)N;GOFICOKGBGMSJE-UHFFFAOYSA-N;135.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134568;MM134568;CC(C)C1C(N)C1(C)N;VBXTZTYIUOKPOC-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134569;MM134569;CC(N)C1C(N)C1(C)N;NUEKWTYKLFVCJA-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134570;MM134570;CC(C)C1C(O)C1(C)N;KKUGVUDCGRQVNS-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134571;MM134571;CCC(C=CC(C)C)=NO;BACAPKVXGGLRMC-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134572;MM134572;CC(N)C1C(C)C1(C)O;VSJNWXRAFYTCDJ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134573;MM134573;CC(O)C1C(C)C1(C)O;ZXCLKEHVIMNZHR-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134574;MM134574;CC(F)C1C(C)C1(C)O;GXQLQBKYPYHCEM-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134575;MM134575;CC1C(C(F)F)C1(C)O;UTJHZHKVSKUUFO-UHFFFAOYSA-N;136.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134576;MM134576;CC(C)C1C(N)C1(C)O;KKEUREBAGQWRBT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134577;MM134577;CC(N)C1C(N)C1(C)O;JQBPMBRCPPMNFD-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134578;MM134578;CC(F)C1C(N)C1(C)O;DYJLGMGYMWXKOD-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134579;MM134579;CC(C)C1C(C)C1(C)F;MJQVPRFIKGXXIS-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134580;MM134580;CC(N)C1C(C)C1(C)F;PPTKGPNDJPDKOO-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134581;MM134581;CC(O)C1C(C)C1(C)F;XZRORVQNAIROOF-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134582;MM134582;CC(F)C1C(C)C1(C)F;WJYNLMQHYJPWOA-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134583;MM134583;CC(C)C1C(N)C1(C)F;BJPWCQRFANUGBS-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134584;MM134584;CC(N)C1C(N)C1(C)F;ITXIWSZBCOXAMH-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134585;MM134585;CC(C)C1C(C)C1(F)F;MJOWESVCKQGOEE-UHFFFAOYSA-N;134.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134586;MM134586;CC(N)C1C(C)C1(F)F;QYLKIOHNJIQDFZ-UHFFFAOYSA-N;135.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134587;MM134587;CC(O)C1C(C)C1(F)F;BANDZLPMGHMOKA-UHFFFAOYSA-N;136.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134588;MM134588;CC(N)C1C(N)C1(F)F;PAQJFKQGJGCOBF-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134589;MM134589;CC1C(N(C)C)C1(C)C;OYNKCZXRMMDUGD-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134590;MM134590;CN(C)C1C(N)C1(C)C;FCENYHXQAHASKE-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134591;MM134591;CN(C)C1C(O)C1(C)C;PNIYGOYURZDDDJ-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134592;MM134592;CC1C(N(C)C)C1(C)N;FGNHESWMOKQULV-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134593;MM134593;CN(C)C1C(N)C1(C)N;IVWNDQBALRFUGD-UHFFFAOYSA-N;129.21;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134594;MM134594;CN(C)C1C(O)C1(C)N;XJOGZXIIJPGLSS-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134595;MM134595;CC1C(N(C)C)C1(C)O;FZDJTOCZDHYMKA-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134596;MM134596;CN(C)C1C(N)C1(C)O;XJSVCWJHZQIADR-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134597;MM134597;CC(N)C1N(C)C1(C)C;IEXJLEXYYYSKOK-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134598;MM134598;CC(F)C1N(C)C1(C)C;YENPBBHRZIUEPH-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134599;MM134599;C=C(C)C1C(C)C1(C)C;RJUBLUPNTVHGPJ-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134600;MM134600;CC(=O)C1C(C)C1(C)C;USUANBISHVQTQJ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134601;MM134601;CC1C(C(=N)N)C1(C)C;OJVOMBUPKASAOC-UHFFFAOYSA-N;126.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134602;MM134602;CCC(O)(C#N)CN1CC1;MLYMNQXQOVDHCY-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134603;MM134603;CC1C(C(=O)O)C1(C)C;DDZLZVXPBSNDAH-UHFFFAOYSA-N;128.17;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134604;MM134604;C=C(F)C1C(C)C1(C)C;BHGYFNAYTDYZTE-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134605;MM134605;CC1(C)C(N)C1C(=N)N;PHZHQGICUMZWKR-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134606;MM134606;Cc1cc(=O)on(O)c1=O;SBEBEUMWLGVHHI-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134607;MM134607;C=C(C)C1C(C)C1(C)N;TYOLGFNRUALXDJ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134608;MM134608;CC1C(C(=N)N)C1(C)N;FQFJKWYLLQWRKG-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134609;MM134609;CC1C(C(N)=O)C1(C)N;XQJGRIITLDKXDV-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134610;MM134610;C=C(F)C1C(C)C1(C)N;XKBPWJKWWXKYIE-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134611;MM134611;C=C(C)C1C(N)C1(C)N;JXIIZTFVULLMSP-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134612;MM134612;CON(C)C(C)=NCC#N;HTPZICILDAOWSQ-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134613;MM134613;CC(=O)C1C(C)C1(C)O;PKGYTKNUUUYGGG-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134614;MM134614;CC1C(C(=N)N)C1(C)O;JDYXKNHTOUOZAJ-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134615;MM134615;CC1C(C(N)=O)C1(C)O;BWHBEHXLFOPUBC-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134616;MM134616;C=C(F)C1C(C)C1(C)O;JZRAGHIMLDDDBO-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134617;MM134617;CC1(O)C(N)C1C(=N)N;WQHCYUAWWIMOEF-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134618;MM134618;C=C(F)C1C(N)C1(C)O;GXCGZSGPXBYKDA-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134619;MM134619;CC1(O)C(O)C1C(=N)N;RELTXLXNQKRVPD-UHFFFAOYSA-N;130.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134620;MM134620;CC1(O)C(O)C1C(N)=O;SYFDKQJJYIZDPE-UHFFFAOYSA-N;131.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134621;MM134621;C=C(C)C1C(C)C1(C)F;UEAOJMUGHQXDIS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134622;MM134622;CC(=O)C1C(C)C1(C)F;YALNQCREBHNTPE-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134623;MM134623;CC1C(C(=N)N)C1(C)F;KNNCCWZBMACDNW-UHFFFAOYSA-N;130.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134624;MM134624;CC1C(C(N)=O)C1(C)F;OKFVWMAFOANDGA-UHFFFAOYSA-N;131.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134625;MM134625;CC1C(C(=O)O)C1(C)F;VRFPMYJEKVYMPN-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134626;MM134626;C=C(F)C1C(C)C1(C)F;IIJKTSDBVGXKCM-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134627;MM134627;CC1(F)C(N)C1C(=N)N;OUEJLOINVDDJAM-UHFFFAOYSA-N;131.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134628;MM134628;CN(C)C(CO)C(O)C#N;HMCGECNAJFCHBW-UHFFFAOYSA-N;144.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134629;MM134629;CC(=N)N1C(C)C1(C)C;UYJXJVZJJSVYER-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134630;MM134630;CC(=O)N1C(C)C1(C)C;ZEPFWRCFXQZVNZ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134631;MM134631;CC1N(C(=N)N)C1(C)C;KXNBATSUYLFOIA-UHFFFAOYSA-N;127.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134632;MM134632;CC1N(C(N)=O)C1(C)C;HEMJQJVAFQMGNF-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134633;MM134633;CC(C)CC1CC1(C)C;IBXBDDLMRGLQAP-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134634;MM134634;CC(N)CC1CC1(C)C;FQWMQKNDFSGFMS-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134635;MM134635;C#CC(C#N)CNCCF;GAKLOUCCWRSGAW-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134636;MM134636;CC(F)CC1CC1(C)C;PFLFRKURMYOKMB-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134637;MM134637;CC1(C)CC1CC(F)F;XZPNCZRQBSLBHW-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134638;MM134638;CC(C)CC1CC1(C)N;ITUZCKQEQVVECU-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134639;MM134639;CC(N)CC1CC1(C)N;PKTSMLOLKBOQTN-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134640;MM134640;CC(O)CC1CC1(C)N;PYTPNOLKSZHFPQ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134641;MM134641;CC(F)CC1CC1(C)N;MEGCTZWDVABCLA-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134642;MM134642;CC1(N)CC1CC(F)F;WJFNAJMGUKILMQ-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134643;MM134643;C=CC(C=CCC=O)=NO;RQVHKKGUZZJQHW-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134644;MM134644;CC(N)CC1CC1(C)O;JQGHHXSTPMNJND-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134645;MM134645;CC(O)CC1CC1(C)O;WOUXUHFNOOJOPJ-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134646;MM134646;CC(F)CC1CC1(C)O;GVCVABHDGYEUAF-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134647;MM134647;CC1(O)CC1CC(F)F;UWDVLBYKJZZUDI-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134648;MM134648;CC(C)CC1CC1(C)F;BPRJHVFYWLTFGH-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134649;MM134649;CC(N)CC1CC1(C)F;GBIORDVGNVYYIU-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134650;MM134650;CC(O)CC1CC1(C)F;LOIIDYRIMVPTBR-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134651;MM134651;CC(F)CC1CC1(C)F;XZVDIDXJSQZVBO-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134652;MM134652;CC1(F)CC1CC(F)F;BHBZDKSTEFYWTF-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134653;MM134653;CC(C)CC1CC1(F)F;DMWDZKMQGXHKAB-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134654;MM134654;CC(N)CC1CC1(F)F;WKDBCVHISHOIFB-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134655;MM134655;CC(O)CC1CC1(F)F;XFIHIYMKCRPWOB-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134656;MM134656;CC(F)CC1CC1(F)F;WCRVXGHUSWGYAQ-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134657;MM134657;FC(F)CC1CC1(F)F;LCJGABVNAJQSCI-UHFFFAOYSA-N;142.1;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134658;MM134658;CC(C)NC1CC1(C)C;DJPCHPMVBGJLIS-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134659;MM134659;CC(C)NC1CC1(C)N;QQTMXPNRUJGMRJ-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134660;MM134660;CC(C)NC1CC1(C)O;GXEZDOZMRDMVPY-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134661;MM134661;CC(C)NC1CC1(C)F;SUIBUVVRKSLZGW-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134662;MM134662;CC(C)OC1CC1(C)C;PLVBDIGTLGXKME-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134663;MM134663;CC(C)OC1CC1(C)N;VEKIMYMZCPDSHX-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134664;MM134664;CC(C)OC1CC1(C)O;SAWPCZQWVPMYOR-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134665;MM134665;CC(C)OC1CC1(C)F;ZQBAGZQODLDKCC-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134666;MM134666;CC(C)OC1CC1(F)F;RVSFKVWQRMBHML-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134667;MM134667;CN(C)CC1CC1(C)C;FQQTXTZMFICAHB-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134668;MM134668;CN(C)CC1CC1(C)O;WPDQKGDAFMVCFS-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134669;MM134669;CN(C)CC1CC1(C)F;LPTCYFZTXIJNCF-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134670;MM134670;CN(C)CC1CC1(F)F;YWSKDQGPTIYNET-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134671;MM134671;CC(N)CC1NC1(C)C;KFQQHJMKYFAUTQ-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134672;MM134672;CC(C)CC1OC1(C)C;VNHCSVJZJRBCHN-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134673;MM134673;CC(N)CC1OC1(C)C;YBAPZJGJAKACKE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134674;MM134674;CC(O)CC1OC1(C)C;DLPCIDFPKXERCH-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134675;MM134675;CC(F)CC1OC1(C)C;QZFOPFYQLJGEJB-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134676;MM134676;CC1(C)OC1CC(F)F;IYAFMDPTRGTHQG-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134677;MM134677;CN(C)CC1OC1(C)C;LVKWWOLLOZDQCE-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134678;MM134678;CC(N)CN1CC1(C)C;BGSIYFNDZNRQKC-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134679;MM134679;CC(F)CN1CC1(C)C;OIYCATMVXAATJZ-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134680;MM134680;C=C(C)CC1CC1(C)C;INNCSJIBGYJUJK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134681;MM134681;CC(=O)CC1CC1(C)C;CSIMZXUNDFACJM-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134682;MM134682;CC1(C)CC1CC(=N)N;UIGYUZNGMBOINC-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134683;MM134683;CC=Cc1ncc(CO)[nH]1;DHUVLCUXNVFIQB-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134684;MM134684;CC1(C)CC1CC(=O)O;VFUARBOQJAZFBL-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134685;MM134685;C=C(F)CC1CC1(C)C;DALOJZSVAVDIGM-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134686;MM134686;C=C(C)CC1CC1(C)N;KARWBCHYZJKEQH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134687;MM134687;CC1(N)CC1CC(=N)N;SQVDRCAURBZOJS-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134688;MM134688;CC1(N)CC1CC(N)=O;RXRUVGGOLLLKNY-UHFFFAOYSA-N;128.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134689;MM134689;C=C(F)CC1CC1(C)N;GNBKIQNVBNFXMA-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134690;MM134690;C#CCc1c[nH]c(CO)n1;BRHVURUUYSRTRJ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134691;MM134691;CC(=O)CC1CC1(C)O;RQAPUQBXRJALKG-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134692;MM134692;CC1(O)CC1CC(=N)N;KTLYDFWSEASRNJ-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134693;MM134693;CC1(O)CC1CC(N)=O;QHMZWSOPCKJUCN-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134694;MM134694;Nc1cc(=O)on(O)c1=O;ISGQRLYHDAEPKD-UHFFFAOYSA-N;144.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134695;MM134695;C=C(F)CC1CC1(C)O;CZQAOUJEHRXXRG-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134696;MM134696;C=C(C)CC1CC1(C)F;MQTAGNKKQCNBKB-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134697;MM134697;CC(=O)CC1CC1(C)F;UCSTVHYSSCRZGH-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134698;MM134698;CC1(F)CC1CC(=N)N;UXHUYFWFEFAGBR-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134699;MM134699;CC1(F)CC1CC(N)=O;GNAGQFNKVFRVHJ-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134700;MM134700;C=C(F)CC1CC1(C)F;QGCGVDAQDTZPDZ-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134701;MM134701;C=C(C)CC1CC1(F)F;PUJHTDFHRQACGI-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134702;MM134702;CC(=O)CC1CC1(F)F;TYIMWMQOIZOOAS-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134703;MM134703;N=C(N)CC1CC1(F)F;GLOQMXLSAUNVEG-UHFFFAOYSA-N;134.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134704;MM134704;NC(=O)CC1CC1(F)F;WZBIVPBDMMITGZ-UHFFFAOYSA-N;135.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134705;MM134705;O=C(O)CC1CC1(F)F;MBRBTSNTUSHGFC-UHFFFAOYSA-N;136.1;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134706;MM134706;C=C(F)CC1CC1(F)F;IKVADTJISGLJAD-UHFFFAOYSA-N;136.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134707;MM134707;CC(=N)NC1CC1(C)C;HVQCIYPZTCYGON-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134708;MM134708;CCCC1=CC(=NO)NC1;JMQNRFNPMCFUQN-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134709;MM134709;CC1(C)CC1NC(=N)N;HRHIPTRYVXGRHZ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134710;MM134710;CC1(C)CC1NC(N)=O;QFULMQAADFVYGN-UHFFFAOYSA-N;128.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134711;MM134711;CC(=N)NC1CC1(C)N;LCKOPEMKSDLAFY-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134712;MM134712;CC(=O)NC1CC1(C)N;RRWLTQQLRPKUGA-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134713;MM134713;CC1(N)CC1NC(=N)N;KLPWNEWWQPKBGK-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134714;MM134714;CC1(N)CC1NC(N)=O;BGBDPYCVPSFICR-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134715;MM134715;CC(=N)NC1CC1(C)O;AJCZKNGACNLESG-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134716;MM134716;CC(=O)NC1CC1(C)O;IZIMFTOVPKJESO-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134717;MM134717;CC1(O)CC1NC(=N)N;JPQZUMOULIGRTG-UHFFFAOYSA-N;129.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134718;MM134718;CC1(O)CC1NC(N)=O;GSXBAAGEVBAXTC-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134719;MM134719;CC(=N)NC1CC1(C)F;WPZYSBVNWWRGGF-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134720;MM134720;CC(=O)NC1CC1(C)F;ROAGKDBTHMSIDR-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134721;MM134721;CC(=O)NC1CC1(F)F;WHUHZBAYBFUVLJ-UHFFFAOYSA-N;135.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134722;MM134722;N=C(N)NC1CC1(F)F;FCAGYYLTVTXMPV-UHFFFAOYSA-N;135.12;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134723;MM134723;NC(=O)NC1CC1(F)F;SDAJBEUJORWTLI-UHFFFAOYSA-N;136.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134724;MM134724;C=C(C)OC1CC1(C)C;SGBQTCWASVZNBP-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134725;MM134725;CC(=O)OC1CC1(C)C;RALBKKMBNBJDQR-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134726;MM134726;CC1(C)CC1OC(=N)N;PZWHMTDLBYRKEX-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134727;MM134727;CC1(C)CC1OC(N)=O;HKCRHUYLVLHMJJ-UHFFFAOYSA-N;129.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134728;MM134728;C=C(C)OC1CC1(C)N;AJLBFLMUQMWKPL-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134729;MM134729;CC(=O)OC1CC1(C)N;RNFCRTAWWNLEKF-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134730;MM134730;CC1(N)CC1OC(=N)N;PEKYRQUANCUCAN-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134731;MM134731;CC1(N)CC1OC(N)=O;GLSQWGNMHRHNFC-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134732;MM134732;C=C(C)OC1CC1(C)O;SXIBWAXQRPCVKK-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134733;MM134733;CC(=O)OC1CC1(C)O;SBEORSNSOKPUSO-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134734;MM134734;CC1(O)CC1OC(=N)N;PDBGCUMYYPCGRV-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134735;MM134735;CC1(O)CC1OC(N)=O;UFDVNWZJNQVGOM-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134736;MM134736;C=C(C)OC1CC1(C)F;DBYCTMJECCSIBY-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134737;MM134737;CC(=O)OC1CC1(C)F;FDWAIVNUSPLKEA-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134738;MM134738;CC1(F)CC1OC(=N)N;SQGDAEAJGJWHLZ-UHFFFAOYSA-N;132.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134739;MM134739;CC1(F)CC1OC(N)=O;WOIXBPCEFWCECW-UHFFFAOYSA-N;133.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134740;MM134740;C=C(C)OC1CC1(F)F;KSSFAJRLAHPHSM-UHFFFAOYSA-N;134.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134741;MM134741;CC(=O)OC1CC1(F)F;QKOGICPKQKFGOA-UHFFFAOYSA-N;136.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134742;MM134742;NC(=O)OC1CC1(F)F;POSVXOCSKLMZJU-UHFFFAOYSA-N;137.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134743;MM134743;CC1(C)NC1CC(=N)N;FKHBWZTXTVZMLG-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134744;MM134744;C=C(C)CC1OC1(C)C;RCAZFBDILAMCBX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134745;MM134745;CC(=O)CC1OC1(C)C;JBGXJQVTBRVQAI-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134746;MM134746;CC1(C)OC1CC(=N)N;NBUXOOHDFRVCDY-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134747;MM134747;CC1(C)OC1CC(N)=O;VKOMJGNROCSJHO-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134748;MM134748;Cn1c(=O)n(O)n(O)c1=O;SMKGRGXUHMKALX-UHFFFAOYSA-N;147.09;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134749;MM134749;C=C(F)CC1OC1(C)C;PHRASOYVBIVUHV-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134750;MM134750;C=CC(C=CN1CC1)=NO;DVURKPQPUJJNST-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134751;MM134751;CC1(C)CN1CC(=N)N;NMCNORAAUGAFIU-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134752;MM134752;CC=C(C)C(C)=NO;BFTRXKSWPRFRFL-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134753;MM134753;Cc1c(N)on(O)c1=O;TVHBSBUKZOSXOP-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134754;MM134754;C=C(F)CN1CC1(C)C;BMNYJGINXXSHTF-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134755;MM134755;CC(=N)NN1CC1(C)C;JRGQHXCIUMOLKU-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134756;MM134756;CC(=O)NN1CC1(C)C;FRLUHCPQCJSXKP-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134757;MM134757;CC1(C)CN1NC(=N)N;SIIGVHJRVUWIRX-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134758;MM134758;CC1CC(C)C(C)(C)C1;AVBGIJNNMIBMQG-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134759;MM134759;CC1CC(N)CC1(C)C;LWHHHSBPVARJQJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134760;MM134760;C=C1CCC(=NO)N1;SAQVHYQPBLYENP-UHFFFAOYSA-N;112.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134761;MM134761;CC1CC(F)CC1(C)C;ZGOGHFWZLUSTED-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134762;MM134762;CC1CC(N)C(C)(C)C1;VXCANAPTMQFKON-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134763;MM134763;CC1(C)CC(O)CC1N;CIEXEWWTQANGQA-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134764;MM134764;CC1CC(C)C(C)(N)C1;YKBHTIFHFXCXBK-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134765;MM134765;CC1CC(N)CC1(C)N;LXEIRUPSJZYAHZ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134766;MM134766;CC1CC(O)CC1(C)N;YIQCJUCIFPBMMR-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134767;MM134767;CC1CC(F)CC1(C)N;LWRBUWCYCVTBRK-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134768;MM134768;CC1CC(N)C(C)(N)C1;VHPBQNXYGBVVPR-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134769;MM134769;ON=CNC1CC1O;DNAFHWXQRWLTJL-UHFFFAOYSA-N;116.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134770;MM134770;CC1CC(N)CC1(C)O;LOXDLYGMJPBPCN-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134771;MM134771;CC1CC(O)CC1(C)O;QUSGHTSQJAMXCK-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134772;MM134772;CC1CC(F)CC1(C)O;LCZGLGHAGYLOLC-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134773;MM134773;CC1CC(C)C(C)(F)C1;SDOBZNSVTZQVEY-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134774;MM134774;CC1CC(N)CC1(C)F;DJOONMGJYVLVTF-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134775;MM134775;CC1CC(C)(C)C(C)N1;CFCWYWVJBXQGJD-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134776;MM134776;CC1CC(C)(N)C(C)N1;BJDCFVRCYBFWMX-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134777;MM134777;CC1CC(C)(O)C(C)N1;LIPRWULMHUARKN-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134778;MM134778;CC1CC(C)(C)C(C)O1;MHXAKNJBMDUUIM-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134779;MM134779;CC1CC(C)(N)C(C)O1;QINBMUHTTOVDST-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134780;MM134780;CC1CC(C)C(C)(C)N1;SWMMSULAOPNBRA-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134781;MM134781;CC1CC(C)C(C)(C)O1;UWFYYGCSYZQVTE-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134782;MM134782;CC1CC(N)C(C)(C)O1;KOCYEEJXDRRODX-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134783;MM134783;CC1CN(C)CC1(C)C;URQHTJYBAOWVOO-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134784;MM134784;CC1CN(C)CC1(C)N;BLSCYEJQULWUPS-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134785;MM134785;CN1CC(N)C(C)(N)C1;OYNGZPDYPOSLRJ-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134786;MM134786;CC1CN(C)CC1(C)O;JIRCCZQTKLSDSN-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134787;MM134787;CC1CN(C)CC1(C)F;AKBIMAOKXWUNOP-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134788;MM134788;CC1CN(C)C(C)(C)C1;BMUNBWLLJXQTCN-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134789;MM134789;CN1CC(N)CC1(C)C;WJUYMWGBEFFRMR-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134790;MM134790;CN1CC(O)CC1(C)C;GZKDHUJUQIPRRT-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134791;MM134791;CN1CC(F)CC1(C)C;TWVBVMNMWMYQNC-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134792;MM134792;C=C1CC(C)C(C)(C)C1;YCMJWGPIQAHNHR-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134793;MM134793;CC1CC(=O)CC1(C)C;ANEGGVOMHWVLTN-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134794;MM134794;C=C1CC(N)C(C)(C)C1;XYDRAFGOXPKOLB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134795;MM134795;C=C1CC(C)C(C)(N)C1;HCSCKWQLVHBONC-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134796;MM134796;C=C1CC(N)C(C)(N)C1;WGUJVHKXWLGXHP-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134797;MM134797;CC(C)CC=CC=NO;NAEZFDIKLSMFIS-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134798;MM134798;CC1CC(=O)CC1(C)O;NTSXXTPLHBGSRC-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134799;MM134799;C=C1CC(C)C(C)(F)C1;JNENXTRBOOSIPT-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134800;MM134800;CC1CC(=O)CC1(C)F;WDTFQKYHHGGGBI-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134801;MM134801;CC1NC(=N)CC1(C)C;RHFCZYAFMCQHMC-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134802;MM134802;CC1NC(=O)CC1(C)C;OAXOLEUBBPAXMP-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134803;MM134803;CC1NC(=N)CC1(C)N;OJTQGUCXDXOCPG-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134804;MM134804;CC1NC(=O)CC1(C)N;FGQCXTXPHYOMER-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134805;MM134805;CC1NC(=N)CC1(C)O;FMBDMCPMLSQFNH-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134806;MM134806;CC1NC(=O)CC1(C)O;WBFRBRMRPKBGIL-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134807;MM134807;CC1NC(=N)CC1(C)F;UOWZGGKTQQZYCR-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134808;MM134808;C=C1CC(C)(C)C(C)O1;UQHRZPYXGLUSFR-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134809;MM134809;CC1OC(=O)CC1(C)C;LPLUNGXZFNJJBZ-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134810;MM134810;C=C1CC(C)(N)C(C)O1;CKKIHFYSUGIOKU-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134811;MM134811;CC1OC(=O)CC1(C)N;CRMNSFGAASBRFB-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134812;MM134812;C=C1CC(C)(O)C(C)O1;PLGNMTBLMNGZGN-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134813;MM134813;CC1OC(=O)CC1(C)O;HVGVEYGRPSFAQN-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134814;MM134814;C=C1CC(C)(F)C(C)O1;HCVJDQNZSRUTOD-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134815;MM134815;CC1CC(=N)NC1(C)C;SJBVHIXFIDVBPX-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134816;MM134816;CC1CC(=O)NC1(C)C;DXWRNWUSWFXALD-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134817;MM134817;CC1(C)NC(=N)CC1N;JZRYTCKESBWVQO-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134818;MM134818;CC1(C)NC(=O)CC1N;XISSLDCYZINPLD-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134819;MM134819;CC1NC(=N)NC1(C)C;WFJZGHUVAMZQRU-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134820;MM134820;CC1NC(=O)NC1(C)C;RCGWGFBQLFHMRJ-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134821;MM134821;CC1OC(=O)NC1(C)C;ZTQCGMBZVLKVSX-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134822;MM134822;C=C1CC(C)C(C)(C)O1;NUGUFPKNSQMPRO-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134823;MM134823;CC1CC(=O)OC1(C)C;WLRGENJWPWBOMS-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134824;MM134824;C=C1CC(N)C(C)(C)O1;UGIZMGHCCLQQKN-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134825;MM134825;CC1(C)OC(=O)CC1N;WGMOIUGYGIQSHK-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134826;MM134826;CC1NC(=O)OC1(C)C;RAOONYALMQYODQ-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134827;MM134827;CC1OC(=O)OC1(C)C;MJZNDLJSIVPUOC-UHFFFAOYSA-N;130.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134828;MM134828;C=C1CN(C)C(C)(C)C1;LUTBQKRRAAWQEO-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134829;MM134829;CN1NC(=N)CC1(C)C;CBSSDAWQNQNBED-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134830;MM134830;C=C1CC(C)CC1(C)C;BXHCEUDCSOREKD-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134831;MM134831;C=C1CC(N)CC1(C)C;LXRQLNKRRFTVJO-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134832;MM134832;C=CC=NNC(=O)CC;UWHPHTRIOYTZAV-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134833;MM134833;C=C1CC(F)CC1(C)C;KGQAPTVLEMSUPV-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134834;MM134834;C=C1CC(C)CC1(C)N;DXLKUPPSKYFDKX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134835;MM134835;C=C1CC(N)CC1(C)N;LRASFGCHPONPHZ-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134836;MM134836;C=C1CC(O)CC1(C)N;LNMLYVALUGTUSR-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134837;MM134837;C=C1CC(F)CC1(C)N;QJAZCIHVXCKKCZ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134838;MM134838;CCC=C(C)C(C)=NO;USNKFFUHTPWYSV-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134839;MM134839;C=C1CC(N)CC1(C)O;HWUMQYKQIDHJTM-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134840;MM134840;C=C1CC(O)CC1(C)O;PBJQKNZCQKIKQR-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134841;MM134841;C=C1CC(F)CC1(C)O;REUMYPPNBPVLBZ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134842;MM134842;C=C1CC(N)CC1(C)F;HBWPAUFHNKCETE-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134843;MM134843;C=C1CC(O)CC1(C)F;QSFXLTBPRNVUNS-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134844;MM134844;C=C1CC(F)CC1(C)F;NHAYVJXVFLEPFC-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134845;MM134845;CC1CC(C)(C)C(=N)N1;CXUJKBCEXKABNK-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134846;MM134846;CC1CC(C)(N)C(=N)N1;INNLVXZVEOAVFD-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134847;MM134847;C=C1OC(C)CC1(C)C;PYRZPJYRFOLQRQ-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134848;MM134848;C=C1OC(C)CC1(C)N;FHGNRQARRVQCDP-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134849;MM134849;C=C1OC(C)CC1(C)O;LZIUTQPEEAJGQQ-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134850;MM134850;C=C1CC(C)NC1(C)C;FVYJXXZPFIUBQQ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134851;MM134851;C=C1CC(C)OC1(C)C;OCUIJYJOXWURFM-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134852;MM134852;C=C1OC(C)OC1(C)C;WRXMJMQVJVMNII-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134853;MM134853;C=C1CN(C)CC1(C)C;FOFMSHLWZZRFDQ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134854;MM134854;C=C1CN(C)CC1(C)N;SRCQGIRKKRUYSS-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134855;MM134855;C=C1CN(C)CC1(C)O;KGPIGEKLSCKRHS-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134856;MM134856;CN1CC(C)(C)C(=N)N1;KFMDJFBBEVAPGQ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134857;MM134857;C=C1CC(=C)C(C)(C)C1;OMSYYMDHZQRIPY-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134858;MM134858;C=C1CC(=O)CC1(C)C;OAJJLPBSOZSIEW-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134859;MM134859;C=C1CC(=O)C(C)(C)C1;MZZNNVXFNNFKMQ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134860;MM134860;C=C1CC(=C)C(C)(N)C1;ZJDVHBBHRSFEDY-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134861;MM134861;Cc1nc(C=O)[nH]c1C;BOXPJRBSLSQXKA-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134862;MM134862;C=C1CC(=O)CC1(C)O;VYNBRYJESDSRBT-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134863;MM134863;C=C1CC(=C)C(C)(F)C1;JSYXVBTYNGQCBN-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134864;MM134864;C=C1CC(=O)CC1(C)F;XBKLMLZQWCFLGB-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134865;MM134865;C=C1NC(=N)CC1(C)C;BGAWFPFUEULNNW-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134866;MM134866;C=C1NC(=O)CC1(C)C;DXAWLNRCYYPHTI-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134867;MM134867;C=C1CC(C)(C)C(=N)N1;BPKQPNXSFOQWHE-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134868;MM134868;CC1(C)CC(=N)NC1=N;JELXKVQNGCAGSP-UHFFFAOYSA-N;125.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134869;MM134869;CCNc1cc(F)[nH]n1;NTXFCKDWJBWSCF-UHFFFAOYSA-N;129.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134870;MM134870;C=C1CC(C)(C)C(=O)N1;PCGDBHZPQVANMS-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134871;MM134871;C=C1NC(=N)CC1(C)N;IWMMBRNTVRUXOC-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134872;MM134872;C=C1NC(=O)CC1(C)N;QAQKKOPGLSINIH-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134873;MM134873;C=C1CC(C)(N)C(=N)N1;FPQYCWBYJUAQDZ-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134874;MM134874;CC1(N)CC(=N)NC1=N;YKZVKCJSJBJIDC-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134875;MM134875;C=C1NC(=N)CC1(C)O;DFRMPJPJXRGOCU-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134876;MM134876;C=C1NC(=O)CC1(C)O;IZESODILYMKAGR-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134877;MM134877;C=C1CC(C)(O)C(=N)N1;GEGCSTDRQLKIPF-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134878;MM134878;CC1(O)CC(=N)NC1=N;JMUDZQLAPDNFDG-UHFFFAOYSA-N;127.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134879;MM134879;CC1(O)CC(=O)NC1=N;RDBYSROJKUWWKQ-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134880;MM134880;C=C1NC(=N)CC1(C)F;OVJJFPXOMSQHRL-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134881;MM134881;C=C1NC(=O)CC1(C)F;DNTBEQMCNKEWML-UHFFFAOYSA-N;129.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134882;MM134882;C=C1CC(C)(C)C(=C)O1;UCMMIGXWPCAINZ-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134883;MM134883;C=C1OC(=O)CC1(C)C;LYLCSFCDRCQMOA-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134884;MM134884;C=C1CC(C)(N)C(=C)O1;MJQLEWSMVMFGTC-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134885;MM134885;C=C1CC(C)(O)C(=C)O1;LXZOIGBIEAMILH-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134886;MM134886;C=C1OC(=O)CC1(C)O;DHORKTUPRBVMQE-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134887;MM134887;C=C1CC(C)(F)C(=C)O1;BBNXWTNLCDCHGQ-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134888;MM134888;C=C1CC(=N)NC1(C)C;UJYSQYANCFGDBN-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134889;MM134889;C=C1CC(=O)NC1(C)C;HJPCRXFUEWTIQW-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134890;MM134890;C=C1NC(=N)NC1(C)C;UVZSSDMQTWMTFS-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134891;MM134891;C=C1NC(=O)NC1(C)C;KBUFSMFECDPKCI-UHFFFAOYSA-N;126.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134892;MM134892;CC1(C)NC(=N)NC1=N;UCVKUBMYZKKHLC-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134893;MM134893;CNNC(=O)C1OC1C;TYUCHYRPYIPSRW-UHFFFAOYSA-N;130.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134894;MM134894;C=C1CC(=C)C(C)(C)O1;DAWYOUQYXFHSGX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134895;MM134895;C=C1CC(=O)OC1(C)C;NRBOHRLGLQZLLG-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134896;MM134896;C=C1NC(=O)OC1(C)C;LZTAEONMYUUEOO-UHFFFAOYSA-N;127.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134897;MM134897;C=C1NC(=N)C(C)(C)O1;YEJZTELAHDXOND-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134898;MM134898;CC1(C)OC(=O)NC1=N;BXWNEJLHEPYGCP-UHFFFAOYSA-N;128.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134899;MM134899;C=C1OC(=O)OC1(C)C;WUGCPRNXGBZRMC-UHFFFAOYSA-N;128.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134900;MM134900;CC1=CC(C)C(C)(C)C1;VKULJXKEMDJMMT-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134901;MM134901;CC1C=C(F)CC1(C)C;XTKAOLMOEDJMAP-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134902;MM134902;CC1=CC(N)C(C)(C)C1;WSOZCKCTEMUCMM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134903;MM134903;CC1(C)CC(F)=CC1N;HGFVITBAHZCDDI-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134904;MM134904;CC1=CC(C)C(C)(N)C1;IMPJUKGASRGXTH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134905;MM134905;CC1C=C(F)CC1(C)N;QHZGHDDADLAOHX-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134906;MM134906;CC1=CC(N)C(C)(N)C1;LJABYSMNTWLORH-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134907;MM134907;CNC1=CC(=NO)NC1;PQXDLFUCMZUCMW-UHFFFAOYSA-N;127.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134908;MM134908;CC1C=C(F)CC1(C)O;OTFDDPQIECCQTE-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134909;MM134909;CC1=CC(N)C(C)(O)C1;FUMDEJYJEWGCAF-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134910;MM134910;CC1(O)CC(F)=CC1N;YKCDKHAQWSIQIQ-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134911;MM134911;CC1=CC(C)C(C)(F)C1;JAQABQLXZZNWGN-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134912;MM134912;CC1C=C(F)CC1(C)F;FPMDVYBKSNGSQA-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134913;MM134913;CC1=CC(N)C(C)(F)C1;DUFMONBRROWGEJ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134914;MM134914;CC1=NC(C)C(C)(C)N1;QZBXKNOJHNWUGA-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134915;MM134915;CC1=CC(C)C(C)(C)O1;IUNCUENHTGPHBH-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134916;MM134916;CC1=CC(N)C(C)(C)O1;INZCJKUHGCKLHZ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134917;MM134917;CC1=NN(C)C(C)(C)C1;NXUWBLCHWYQCPR-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134918;MM134918;C=C1C=C(C)CC1(C)C;SGZNEVKHQJVNPS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134919;MM134919;C=C1C=C(F)CC1(C)C;AULFOIFYXMJTDM-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134920;MM134920;CC1=CC(=O)C(C)(C)C1;AVXVDNJFGZNVAB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134921;MM134921;CC1(C)CC(N)=CC1=O;KEGYBQNDEINHHD-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134922;MM134922;CC1(C)CC(F)=CC1=O;HTLRZSKJPQNGAW-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134923;MM134923;C=C1C=C(C)CC1(C)N;UXJHZLZPIFMQQQ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134924;MM134924;C=C1C=C(F)CC1(C)N;GJLGKWVBRXBCIZ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134925;MM134925;C=C1CCC(=NO)CC1;FDHWXHHEGOPKQX-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134926;MM134926;C=C1C=C(F)CC1(C)O;SZLZZBJORFGLDV-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134927;MM134927;CC1=CC(=O)C(C)(O)C1;QGWWSJAFEUTZMS-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134928;MM134928;C=C1C=C(C)CC1(C)F;GBEJIWMHQQSVAQ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134929;MM134929;C=C1C=C(F)CC1(C)F;ZUJPUMCUVCQJFQ-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134930;MM134930;CC1=CC(=O)C(C)(C)N1;XJZRJBMVFDGQOJ-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134931;MM134931;CC1(C)NC(N)=CC1=O;APTBVKKBHDQQEU-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134932;MM134932;C=CC#CCNC=NO;CLPHBOPQRJUSMM-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134933;MM134933;C=C1C=C(C)OC1(C)C;NEYILLHKOMSBJP-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134934;MM134934;CC1=CC(=O)C(C)(C)O1;VLOZQNBOJJFNCQ-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134935;MM134935;CC1(C)OC(N)=CC1=O;UHRVKZXYMVCQAO-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134936;MM134936;CC1=CC(C)CC1(C)C;FZWFMMRKYBCZCX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134937;MM134937;CC1=CC(N)CC1(C)C;HBWDQEZIQMXOGX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134938;MM134938;CCCCC=CC=NO;CGDFMPOBULIRQE-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134939;MM134939;CC1=CC(F)CC1(C)C;DFGHUDDKXMKEBX-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134940;MM134940;CC1=CC(C)CC1(C)N;UZTUZJAKHQWLBB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134941;MM134941;CC1=CC(N)CC1(C)N;LTAWZZQFFGMAJN-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134942;MM134942;CC1=CC(O)CC1(C)N;DTVMNOUSMZMGMU-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134943;MM134943;CC1=CC(F)CC1(C)N;GZNUCBPUXCSIMW-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134944;MM134944;CN=CN(C)OC(=O)NN;GYFMMJHIVIYKFX-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134945;MM134945;CC1=CC(N)CC1(C)O;ZWEJURWFZHIKFU-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134946;MM134946;CC1=CC(C)CC1(C)F;BBTUQWVITXUWQB-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134947;MM134947;CC1=CC(N)CC1(C)F;ZKDUBOZWVQZIKZ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134948;MM134948;CC1=CC(O)CC1(C)F;FPNULHWRUKWAOE-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134949;MM134949;CC1=CC(F)CC1(C)F;YDTBZKAMYMJQBQ-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134950;MM134950;CC1=CC(C)NC1(C)C;HBRABQCTJWUYLA-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134951;MM134951;CC1=CC(C)OC1(C)C;PZIHPCOGFOFSAY-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134952;MM134952;CC1=NN(C)CC1(C)C;KPTAZPKMJYAFKZ-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134953;MM134953;CC(=CC(C)C)C(C)=NO;JHNBAGGPQVSUBK-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134954;MM134954;C=C1C=C(C)C(C)(C)C1;GLPCTOFSCPORIR-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134955;MM134955;CC1=CC(=O)CC1(C)C;BDINBSUUIUWFNH-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134956;MM134956;CC1(C)CC(=O)C=C1N;ROEXBOGBLRTEIJ-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134957;MM134957;C=C1C=C(C)C(C)(N)C1;XQYGSBXVRPTKER-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134958;MM134958;C=CC=NNC(=O)CCC;GFGLWFBJVDALIP-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134959;MM134959;CC1=CC(=O)CC1(C)O;JSYILFYTJXAQBP-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134960;MM134960;CC1(O)CC(=O)C=C1N;VTXXCFBBWLRZQG-UHFFFAOYSA-N;127.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134961;MM134961;C=C1C=C(C)C(C)(F)C1;NRGDENHHMFJZRH-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134962;MM134962;CC1=CC(=O)CC1(C)F;JYSJTVOUPJOFEK-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134963;MM134963;CC1=CC(=N)NC1(C)C;MBNOYXDNRJXCGK-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134964;MM134964;CC1=CC(=O)NC1(C)C;YFPCTGJPNIVERK-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134965;MM134965;CC1(C)NC(=N)C=C1N;DREHZXGMLVZRPQ-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134966;MM134966;CC1(C)NC(=O)C=C1N;DDLCMXUCAAJPMV-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134967;MM134967;C=C1C=C(C)C(C)(C)O1;BXJUOMFAEMJWCS-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134968;MM134968;CC1=CC(=O)OC1(C)C;ULWRKJUYKWNTOW-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134969;MM134969;CC1(C)OC(=O)C=C1N;MBIWUVMIHCVSDX-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134970;MM134970;CC1=CC(C)(C)C(C)C1;JDGFBHRHZOMXLB-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134971;MM134971;CC1CC(F)=CC1(C)C;ZLVQASAOZCVNQQ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134972;MM134972;CC1=CC(C)(C)C(N)C1;HCXMUNZASIXUSC-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134973;MM134973;CC1(C)C=C(F)CC1N;NYZBUQCJXNEVLR-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134974;MM134974;CC1=CC(C)(N)C(C)C1;RSUBTFMWUOCLNG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134975;MM134975;CC1CC(F)=CC1(C)N;VGDOGGAMHCYNEZ-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134976;MM134976;CC1=CC(C)(N)C(N)C1;IJODRIHIVXCUDI-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134977;MM134977;CC1(N)C=C(F)CC1N;ZUFXGEVKKZHHIO-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134978;MM134978;N=CNC(=O)C=CCCO;YOIDEEYSCDTCSP-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134979;MM134979;CC1CC(F)=CC1(C)O;BFENDJFJZLLERI-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134980;MM134980;CC1=CC(C)(O)C(N)C1;MMPISVQKBRAADN-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134981;MM134981;CC1(O)C=C(F)CC1N;SQOWYJPEXFQATO-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134982;MM134982;CC1=CC(C)(F)C(C)C1;RMCYJNBCPFOZMV-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134983;MM134983;CC1CC(F)=CC1(C)F;RSWGBXCKBSOHAW-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134984;MM134984;CC1=CC(C)(C)C(C)O1;GEIBRQZRBFNYLK-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134985;MM134985;CC1=CC(C)(N)C(C)O1;QOAGPBOMAZZARI-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134986;MM134986;CC1=CC(C)(O)C(C)O1;JUIVQRTTXLPVMZ-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134987;MM134987;CC1=CC(C)(C)N(C)C1;DSTLYHDBRPGRKK-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134988;MM134988;C=C1CC(C)=CC1(C)C;JRQFEULBZCWATG-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134989;MM134989;C=C1CC(F)=CC1(C)C;TYYUYEAQFBLQKP-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134990;MM134990;CC1=CC(C)(C)C(=O)C1;DWRKERZXMBUGPL-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134991;MM134991;CC1(C)C=C(F)CC1=O;IANUDLUYGSYTRR-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134992;MM134992;C=C1CC(C)=CC1(C)N;WIGTVMCVRBRCKR-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134993;MM134993;C=C1CC(F)=CC1(C)N;LWJBOLTWKJVGOO-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134994;MM134994;COCC=CC(=O)NC=N;OOPLDPLNPWBLNS-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134995;MM134995;C=C1CC(F)=CC1(C)O;OSFBINJMNRMRTI-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134996;MM134996;C=C1CC(C)=CC1(C)F;PYVLZRAJMOGRMV-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134997;MM134997;C=C1CC(F)=CC1(C)F;SHQCNNFMSPZNRB-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134998;MM134998;CC1=CC(C)(C)C(=N)N1;ODCQQCSHXUQGAS-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM134999;MM134999;CC1=CC(C)(C)C(=O)N1;RDUCUQCJFWDHBX-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135000;MM135000;CC1=CC(C)(N)C(=N)N1;URVMIRSTAMQFGO-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135001;MM135001;CC1=CC(C)(O)C(=N)N1;AATFSIODHJMSCF-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135002;MM135002;C=C1OC(C)=CC1(C)C;BNMMQMYXGLAFBK-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135003;MM135003;C=C1OC(C)=CC1(C)N;OENDQWDGGGKFSS-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135004;MM135004;C=C1OC(C)=CC1(C)O;VZDQSSNQZMLGMB-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135005;MM135005;C=C1OC(C)=CC1(C)F;VUXYPCZUAQQIMJ-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135006;MM135006;C=C1N=C(C)NC1(C)C;DEZUGNQWQQQKGD-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135007;MM135007;CC1=CC(C)(C)C(C)=C1;IEZJTWSFSXQWAS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135008;MM135008;CC1=CC(F)=CC1(C)C;CFVDRPKBZCVGKT-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135009;MM135009;CC1=CC(C)(N)C(C)=C1;OHOIJAOGZVGDML-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135010;MM135010;CC1=CC(F)=CC1(C)N;CVLZDDCLTGPZDL-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135011;MM135011;CC(C)C(C)C=CC=NO;USAAWHWSNBLBDI-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135012;MM135012;CC1=CC(F)=CC1(C)O;PMODHWDEZWSEIT-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135013;MM135013;CC1=CC(C)(F)C(C)=C1;HOUNPVYXQRUZNX-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135014;MM135014;CC1=CC(F)=CC1(C)F;RZQPNYMNVRXGCY-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135015;MM135015;CCC1C(C)(C)C1(C)C;OHTGBHNTJVJYTF-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135016;MM135016;CC1(C)C(CN)C1(C)C;BXXKXEVHAQMPKM-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P1";;;;;;;2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135017;MM135017;C=CC1(C)NC1C(O)C#N;XXGHHKFUGDXEDD-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135018;MM135018;CC1(C)C(CF)C1(C)C;DHEREACZZUVEAT-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135019;MM135019;CCC1C(C)(C)C1(C)N;XBEIJRWZYADZCG-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135020;MM135020;C=C(CO)NC(=NO)NO;IVDJYOIWPLYAKT-UHFFFAOYSA-N;147.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135021;MM135021;CCC1C(C)(N)C1(C)N;XAEVKQVLVIAXAQ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135022;MM135022;CNC1C(C)(C)C1(C)C;LIPDHLQTHVLPHD-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC2";;;;;;;2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135023;MM135023;CC1(C)CCCC1(C)C;YXDMSFJDVHXFCV-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135024;MM135024;CC1(C)CNCC1(C)C;NJDDNCANXFHJLO-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135025;MM135025;CC1(C)COCC1(C)C;DAQZHQHZMPVCQW-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135026;MM135026;CC1(C)CCNC1(C)C;QPCHHVWHMQGAAC-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135027;MM135027;CC1(C)CCOC1(C)C;CDLDJGNSVFBIAG-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135028;MM135028;CC1(C)C=CCC1(C)C;VJTQMVIOPWIUHR-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135029;MM135029;CC1(C)C=NNC1(C)C;DSJRGBQYRYYPOY-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135030;MM135030;CC1(C)N=CNC1(C)C;GNCJRTJOPHONBZ-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135031;MM135031;CC1(C)C=COC1(C)C;APXZDCZNAAVGGI-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135032;MM135032;CC1(C)C=NOC1(C)C;OPUXNUHIBJJVAJ-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135033;MM135033;CCCC(C)CC(C)C;AUKVIBNBLXQNIZ-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135034;MM135034;CC(C)CC(C)CCN;WHINFQWHZSHCTQ-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135035;MM135035;CC(=CC(=NO)NN)CO;SNNDJESCNQCDRV-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135036;MM135036;CCCC(C)CC(C)N;LBICVBGBKHUMDO-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135037;MM135037;CC(N)CC(C)CCN;NNPBMDHKRNKXAM-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135038;MM135038;CC(N)CC(C)CCF;FWPUNOSRNMBABV-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135039;MM135039;CCC(=O)NN=CC=CN;GBJPRGHPIAONAJ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135040;MM135040;C#CC=C(C#C)C(=O)NN;WZPVOSRJNOEOLE-UHFFFAOYSA-N;134.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135041;MM135041;CCCC(C)CC(C)F;JWRQZZYZYKTXRA-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135042;MM135042;CC(F)CC(C)CCN;BIYLLSAKFOJQQI-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135043;MM135043;CCC(C=CC=NO)CC;SEOPCAWYKFKDIN-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135044;MM135044;CC(CCN)CC(F)F;VKMLTQGVQVWXDB-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135045;MM135045;CC(CCF)CC(F)F;FPJXDICGPAMHPB-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135046;MM135046;CCCC(N)CC(C)C;KYRWRIRWJFXZLS-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135047;MM135047;CC(C)CC(N)CCN;VIZDVWMUBSZSMV-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135048;MM135048;CCCC(N)CC(C)N;NTLZKRWWVAACRY-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135049;MM135049;CC(N)CC(N)CCN;VCPWBWVUYIBDHB-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135050;MM135050;CCCC(N)CC(C)O;IRAXOHALUJHNOV-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135051;MM135051;CCCC(N)CC(C)F;BHHXVCFVMRYTDW-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135052;MM135052;CC(F)CC(N)CCN;UPGQTNKMPQLXIQ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135053;MM135053;CCCC(N)CC(F)F;OXDQAISUURZADQ-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135054;MM135054;NCCC(N)CC(F)F;WLIQHYUKEUEVMP-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135055;MM135055;C=C1CNC(=NO)CC1=C;GTERGVJDRYKIPQ-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135056;MM135056;CC(C)CC(O)CCN;SAHIFKVZTYTSQQ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135057;MM135057;CCCC(O)CC(C)N;WWONRNQEEVLNAJ-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135058;MM135058;CC(N)CC(O)CCO;WTOJWYJNRHMRCX-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135059;MM135059;CCCC(O)CC(C)O;XVEOUOTUJBYHNL-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135060;MM135060;CC(O)CC(O)CCN;XHLSEAGSBXHYRE-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135061;MM135061;CC(O)CC(O)CCO;WJSATVJYSKVUGV-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135062;MM135062;CC(F)CC(O)CCO;KSJHLQQYUTTYQB-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135063;MM135063;CCCC(O)CC(F)F;HSPLQZQKSSEURT-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135064;MM135064;OC(CCF)CC(F)F;LIZFYODEZCEBSS-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135065;MM135065;CC(C)CC(F)CCN;LCWDCSCWMNILFP-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135066;MM135066;CC(C)CC(F)CCF;KRVOTZNUSNOFTN-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135067;MM135067;CCCC(F)CC(C)N;DBESAAVZELGBHF-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135068;MM135068;CCCC(F)CC(C)O;MPEHRDVLUDOUAH-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135069;MM135069;CC(O)CC(F)CCN;GYVVRCIVMQNABY-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135070;MM135070;CC(O)CC(F)CCF;YCRIBSYKMCZHQW-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135071;MM135071;CC(F)CC(F)CCO;CHIVZKSNNIYJIK-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135072;MM135072;CC(F)CC(F)CCF;BNIWRIYCFZOACO-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135073;MM135073;CCCC(F)CC(F)F;WXPPLYILUXNQHC-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135074;MM135074;OCCC(F)CC(F)F;YTONAXMTQPYRPQ-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135075;MM135075;FCCC(F)CC(F)F;HOPBVWASOHPYFE-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135076;MM135076;CNCC(C)CC(C)O;OEZHKWUAJKEIQL-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135077;MM135077;CNCC(C)CC(C)F;SUJWALFFEPHYRU-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135078;MM135078;CNCC(N)CC(C)C;RUXHHYJZWCQYGH-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135079;MM135079;CNCC(N)CC(C)F;BMNREJFGZXMAJV-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135080;MM135080;CNCC(O)CC(C)C;MVPSNMHWIBZWHH-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135081;MM135081;CNCC(F)CC(C)C;UGVCGZJWPWSKDH-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135082;MM135082;COCC(O)CC(C)N;WBYIKPLHNMKYDZ-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135083;MM135083;COCC(O)CC(C)O;LSSUPYXBPXVWBO-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135084;MM135084;CCNC(C)CC(C)N;FUIGNMSNGAIVQI-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135085;MM135085;CCNC(C)CC(C)O;YSXSMGFERZXWNB-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135086;MM135086;CCCC(C)NC(C)C;VYLJNLAHBYSUIO-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135087;MM135087;CC(C)NC(C)CCN;NSRWYBUCMRWPKC-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135088;MM135088;CC(C)NC(C)CCO;HOMIABLVBZOOJM-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135089;MM135089;CC(C)NC(C)CCF;NXJFEMGMKHYYRL-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135090;MM135090;CCCC(C)OC(C)C;GGBQXFXVDQMLLL-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135091;MM135091;CCCC(C)CN(C)C;FYRHPVBMURAQJE-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135092;MM135092;CN(C)CC(N)CCN;HCLIMLLYGZATQR-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135093;MM135093;CN(C)CC(O)CCN;IQKHFFRQPAKRIV-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135094;MM135094;CN(C)CC(O)CCO;VGFVWMRUCOXJCN-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135095;MM135095;CNCC(N)CN(C)C;SNLCPOJOMCWESN-UHFFFAOYSA-N;131.22;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135096;MM135096;CNCC(O)CN(C)C;ZISBGZVIQGRTRQ-UHFFFAOYSA-N;132.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135097;MM135097;CCNC(C)CN(C)C;JQURSUCXJUAFGZ-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135098;MM135098;CCOC(C)CN(C)C;GMRXKFUFLURLCX-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135099;MM135099;CCCN(C)CC(C)C;LDVUFEUMIXPPSJ-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135100;MM135100;CC(C)CN(C)CCN;AUQVZFGYXAFRBV-UHFFFAOYSA-N;130.24;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135101;MM135101;CC(N)CN(C)CCO;RVKPNBCSECRBTR-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135102;MM135102;CCCN(C)CC(C)O;BZNXFCSZEDRKMY-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135103;MM135103;CC(O)CN(C)CCO;CRJALRGNJLMCAQ-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135104;MM135104;CCCN(C)CC(C)F;XPUACCCMLBWZAD-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135105;MM135105;CC(F)CN(C)CCN;CJQXAHYPKYIBHB-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135106;MM135106;C=CCC(C)CC(C)C;FSWNZCWHTXTQBY-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135107;MM135107;CC(C)CC(C)CC=O;VWLITJGXNSANSN-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135108;MM135108;CC(C)CC(C)CC#N;PLOIXTARDKUIKQ-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135109;MM135109;C=CC(=O)NC=N;UJHUEZWPGSWNBP-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135110;MM135110;Nc1[nH]cnc1F;PFYMWGWWRHTUPE-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135111;MM135111;C#Cc1ncc[nH]1;DIPJUMYFUATARL-UHFFFAOYSA-N;92.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135112;MM135112;C=CCC(C)CC(C)F;JQVPSRUURUPQLA-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135113;MM135113;CC(F)CC(C)CC#N;LQVOLHWPFWBRPC-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135114;MM135114;CC(CC=O)CC(F)F;FUSNECIFYRVIED-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135115;MM135115;C=CCC(N)CC(C)C;YLCKEVRGZIZASZ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135116;MM135116;C=CCC(N)CC(C)F;DUEOPBXZKIGSOJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135117;MM135117;C=CCC(N)CC(F)F;BSLMQVMDIGVDMW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135118;MM135118;CNc1cc(F)[nH]n1;BHSJQGTYKDVHAS-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135119;MM135119;CC(C)CC(O)CC#N;UXOFFPCRBSRPSC-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135120;MM135120;C=CCC(O)CC(C)F;OSJOJNZKFUXFON-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135121;MM135121;C=CCC(F)CC(C)C;QZDRBENAIJPGJA-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135122;MM135122;CC(C)CC(F)CC=O;RPBMVCUSAWILJT-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135123;MM135123;C=CCC(F)CC(C)N;HWMSRFNBBSGOTG-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135124;MM135124;C=CCC(F)CC(C)O;AIGIWGNETAUTCE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135125;MM135125;CC(F)CC(F)CC=O;TVGGUDFRUFMIDM-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135126;MM135126;CC(F)CC(F)CC#N;FSKQEXNTVVIVJR-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135127;MM135127;C=CCC(F)CC(F)F;BDAZFQABLGTOIU-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135128;MM135128;O=CCC(F)CC(F)F;JEOFNOJNROWQBQ-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135129;MM135129;CC(C)CC(C)NC=N;JHHBKRLMFGRMCD-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135130;MM135130;CC1(C)NC1C(O)C#N;XTCQUWFWMOFWOU-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135131;MM135131;CC(N)CC(C)NC=N;RMPWKYRYGQTBDO-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135132;MM135132;CC(F)CC(C)NC=N;LCYHLNFUZWMUAR-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135133;MM135133;C=NNC(C)CC(C)C;VOCWGMXWTCLSTK-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135134;MM135134;C=NNC(C)CC(F)F;URQFJGVIIBFAPK-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135135;MM135135;CC(C)CC(C)OC=O;VJKXDWCVZONWBR-UHFFFAOYSA-N;130.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135136;MM135136;C=COC(C)CC(F)F;XJOTUHPHRLFWEI-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135137;MM135137;COCC1CN1C=NO;HJYLKOLIPAIHSH-UHFFFAOYSA-N;130.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135138;MM135138;C=NOC(C)CC(C)F;UGLRRBRCXWYDMJ-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135139;MM135139;C=CCC(C)NC(C)C;DOUXXHMNUWKBNS-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135140;MM135140;CC(C)NC(C)CC=O;WUUVFVZEBKCVMP-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135141;MM135141;CC(CC#N)CN(C)C;ABHAWWHRDWMJIF-UHFFFAOYSA-N;126.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135142;MM135142;CC(CN(C)C)NC=O;KHBBDQYHRAPVSG-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135143;MM135143;C=COC(C)CN(C)C;BJHAOQZZNAXVDR-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135144;MM135144;C=CCN(C)CC(C)C;GEVGQRKFDZPVOR-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135145;MM135145;C=CCN(C)CC(C)N;IZQICHMRTDKKSU-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135146;MM135146;C=CCN(C)CC(C)O;ZGFSWNAAOHGXMY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135147;MM135147;C=CC1=CNC(=NO)C1;PJPKBFHAIZYDIF-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135148;MM135148;C=CC1NC1C(O)C#N;OEKXOLPKYLGMQB-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135149;MM135149;CN(CC#N)CC(F)F;BNQFMHRMFZHPOT-UHFFFAOYSA-N;134.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135150;MM135150;CC(C)CN(C)NC=N;FAFHHKIZTYENQB-UHFFFAOYSA-N;129.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135151;MM135151;CC(O)CN(C)NC=N;XVMDOXQAAVFYIA-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135152;MM135152;CC(O)CN(C)NC=O;SGZLLFHMCQBDCO-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135153;MM135153;CC(F)CN(C)NC=O;YYNDUCOEMHNSAN-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135154;MM135154;CN(CC(F)F)NC=N;UQEZELNWSZAARS-UHFFFAOYSA-N;137.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135155;MM135155;C#CCC(C)CC(C)C;KXXHKQKIYPECPL-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135156;MM135156;CC1C(C(O)C#N)N1C;OGCVAHSJUOGOSP-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135157;MM135157;C#CCC(C)CC(C)F;OCEDBKDOOJGOJP-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135158;MM135158;C#CCC(N)CC(C)O;DDKNUKOQHHNKDP-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135159;MM135159;C#CCC(O)CC(C)N;QYWQHEPMXFTVQZ-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135160;MM135160;C#CCC(F)CC(C)C;HISFODDCBCQROB-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135161;MM135161;C#CCC(F)CC(C)N;RCAXKSIRLHVKQM-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135162;MM135162;C#CCC(F)CC(C)O;CYQKZILGJKBTBY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135163;MM135163;C#CCN(C)CC(C)C;PXSBDYSANRIYRJ-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135164;MM135164;C#CCN(C)CC(F)F;YHERIUWRMIEGLH-UHFFFAOYSA-N;133.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135165;MM135165;C=C(C)CC(C)CCC;CZGAOHSMVSIJJZ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135166;MM135166;CCCC(C)CC(C)=O;BIFPSSTVLFHHEI-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135167;MM135167;CCCC(C)CC(=N)N;PMCDHPKCRFOFDU-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135168;MM135168;CC(CCN)CC(=N)N;PMYKNXHHHQZDFP-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135169;MM135169;CC(CCO)CC(=N)N;SWHJCSNVPGTXDD-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135170;MM135170;C=NN=CCNC=NO;MKOFWGUJHRRLKV-UHFFFAOYSA-N;128.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135171;MM135171;CC(CCN)CC(N)=O;IYFGZEXTZGOMAJ-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135172;MM135172;NC(=O)NC=NCC(F)F;DRDNSXRIQGVGHR-UHFFFAOYSA-N;151.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135173;MM135173;CCCC(C)CC(=O)O;NZQMQVJXSRMTCJ-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135174;MM135174;CC(CCF)CC(=O)O;GHOASXNSEWKMSZ-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135175;MM135175;C=C(F)CC(C)CCN;JDRCAMXVLJORPD-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135176;MM135176;C=C(C)CC(N)CCC;LMPYFDURNKDQIN-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135177;MM135177;C=C(C)CC(N)CCO;KNPONPIIJPYUIU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135178;MM135178;C=C(C)CC(N)CCF;MAAHJZLMVFWXDN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135179;MM135179;CCCC(N)CC(=N)N;RJZWQXFZNGINCZ-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135180;MM135180;N=C(N)CC(N)CCF;XGXZMZSPCAPXTQ-UHFFFAOYSA-N;133.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135181;MM135181;NC(=O)CC(N)CCF;FVXCVYHCQJEJFY-UHFFFAOYSA-N;134.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135182;MM135182;C=C(F)CC(N)CCC;HOWYSLYROXXUEQ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135183;MM135183;C=C(F)CC(N)CCN;OKPCURAXNHPREZ-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135184;MM135184;C=C(F)CC(N)CCF;YCXATGDGMOQCMK-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135185;MM135185;C=C(C)CC(O)CCO;ZFVPVIRQHVOQRB-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135186;MM135186;CCCC(O)CC(=N)N;WMQUWMNDLLOXQK-UHFFFAOYSA-N;130.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135187;MM135187;CCCC(O)CC(N)=O;MFDCDDAWAGULGE-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135188;MM135188;C=C(C)CC(F)CCC;HTVMISXVRUBVDO-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135189;MM135189;C=C(C)CC(F)CCN;MHHJIIDZKDEFPU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135190;MM135190;C=C(C)CC(F)CCO;CTMVSEOFGNMDJT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135191;MM135191;C=C(C)CC(F)CCF;ZHRAAIBZRJBTFM-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135192;MM135192;CCCC(F)CC(=N)N;AFKJMUAAMRBSHI-UHFFFAOYSA-N;132.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135193;MM135193;N=C(N)CC(F)CCF;KIPGYTLQYFEQBA-UHFFFAOYSA-N;136.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135194;MM135194;NCCC(F)CC(N)=O;FGDLHDVDNDWFDC-UHFFFAOYSA-N;134.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135195;MM135195;NC(=O)CC(F)CCF;BUAUCYNCTFGBRR-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135196;MM135196;CCCC(F)CC(=O)O;STHFVEYWGILFNQ-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135197;MM135197;C=C(F)CC(F)CCC;FAPONVAPYUTNNF-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135198;MM135198;C=C(F)CC(F)CCN;RPOPMPDTAFFOIC-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135199;MM135199;C=C(F)CC(F)CCO;QLJLDIYXRQQXHR-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135200;MM135200;C=C(F)CC(F)CCF;TXVAUUCGHKOXAF-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135201;MM135201;C=C(C)CC(C)CNC;KGTYCRBLPAWRTM-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135202;MM135202;CNCC(C)CC(N)=O;NKFOZEYCIDHYDY-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135203;MM135203;C=C(F)CC(C)CNC;SGEAXDBTSPYBLE-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135204;MM135204;C=C(F)CC(N)CNC;COGRAIGKFLFVKS-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135205;MM135205;CNCC(O)CC(C)=O;SKZMVCCTVQBBTE-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135206;MM135206;CNCC(O)CC(N)=O;AQGUTPJJHCRBOJ-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135207;MM135207;C=C(F)CC(F)CNC;WRGNTAQWZGSHCA-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135208;MM135208;C=CC(C)(O)C(=O)NNC;XOBHYJBRELKAFP-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135209;MM135209;C#Cc1con(O)c1=O;ASVNVMCVUNJTPO-UHFFFAOYSA-N;125.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135210;MM135210;C=C(F)CC(N)COC;KGBVZFCCZYFPCA-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135211;MM135211;COCC(O)CC(=N)N;LEPDTBJARHGDNJ-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135212;MM135212;COCC(O)CC(N)=O;SRMKLOBOBKEZPT-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135213;MM135213;CC#Cc1con(O)c1=O;PKSUANUBIZWGHM-UHFFFAOYSA-N;139.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135214;MM135214;COCC(F)CC(C)=O;OUPSWGMFTIEKPB-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135215;MM135215;COCC(F)CC(=N)N;KSRLBARYVOLVRA-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135216;MM135216;C=C(C)CC(C)NCC;FSPDDLHBBHGSKM-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135217;MM135217;CCNC(C)CC(=N)N;QZHTUTGOSAJWCW-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135218;MM135218;CCNC(C)CC(N)=O;NYVCMIRRHXJENH-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135219;MM135219;C=C(C)CC(C)OCC;TZQLNZIVRBQXMO-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135220;MM135220;CCOC(C)CC(C)=O;BMHLYNKQNZQHKZ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135221;MM135221;COc1nc(=O)n(O)n1C;AEEVJDXYXYGMNA-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135222;MM135222;CCCC(C)NC(C)=N;PFHXGJGWPGRPFT-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135223;MM135223;CC(=N)NC(C)CCN;XDKRXBZIGNMGOA-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135224;MM135224;CC(=N)NC(C)CCO;BBCQDVFHLMRWCU-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135225;MM135225;CC(=N)NC(C)CCF;BULYYJVMHFCENB-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135226;MM135226;C=CC(O)(C=NN)C(=C)F;XAMWHCQJUKMGRK-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135227;MM135227;CC(=O)NC(C)CCN;IDUOSFYMEXOGON-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135228;MM135228;CC(=O)NC(C)CCO;JYRFJHIDGHVXOF-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135229;MM135229;CCCC(C)NC(=N)N;YAOKPTKKZQHEQH-UHFFFAOYSA-N;129.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135230;MM135230;CCCC(C)NC(N)=O;XZFBXWZJJBVTJD-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135231;MM135231;CNCC(C)NC(C)=O;JNHAUFFZNTYUQV-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135232;MM135232;CNCC(C)NC(=N)N;DTKINUMNQOOWSZ-UHFFFAOYSA-N;130.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135233;MM135233;CNCC(C)NC(N)=O;VMHNHZVUGRQLHA-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135234;MM135234;C=C(C)OC(C)CCC;TXTCPYHEEQOCAB-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135235;MM135235;CCCC(C)OC(C)=O;GQKZRWSUJHVIPE-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135236;MM135236;CC(=O)OC(C)CCF;QODBEHMVFCLRDX-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135237;MM135237;CCCC(C)OC(=N)N;QMNKWTUHIHKWJJ-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135238;MM135238;CCCC(C)OC(N)=O;HZMVPSHLMIQQNX-UHFFFAOYSA-N;131.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135239;MM135239;CC(CCN)OC(N)=O;PAKRNBBUSDWMNS-UHFFFAOYSA-N;132.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135240;MM135240;CC(CCO)OC(N)=O;XTXMKSJDRKQMHQ-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135241;MM135241;C=C(C)OC(C)CNC;LMWLMYKZLRUXEM-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135242;MM135242;CNCC(C)OC(C)=O;ODWXZUBDKHPFRU-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135243;MM135243;CNCC(C)OC(N)=O;SHJXRRJDHGYPFN-UHFFFAOYSA-N;132.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135244;MM135244;CCOC(C)OC(C)=O;FAIARWOGQAQTPS-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135245;MM135245;CCCN(C)CC(=N)N;WHBSBLWHBCVISN-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135246;MM135246;CN(CCN)CC(=N)N;HFJHUGDRFIMKKT-UHFFFAOYSA-N;130.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135247;MM135247;CN(CCO)CC(=N)N;GTGXWVWUUQLMCH-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135248;MM135248;CN(CCF)CC(=N)N;OMMMDFJTUZTCIZ-UHFFFAOYSA-N;133.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135249;MM135249;CN(CCN)CC(N)=O;SQCJERXCGKGLME-UHFFFAOYSA-N;131.18;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135250;MM135250;CN1C(C(O)C#N)C1(C)C;GQJQPIOCVOLJNL-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135251;MM135251;C=C(F)CN(C)CCN;MENZSRJNFKGACT-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135252;MM135252;CCCN(C)NC(C)=N;LELGLIKPXJNPGB-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135253;MM135253;CC(=N)NN(C)CCF;PJBFMEMZSMKKPT-UHFFFAOYSA-N;133.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135254;MM135254;CNNC(=NO)NC(N)=O;XNIHNNOTFZLIME-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135255;MM135255;CC(=O)NN(C)CCO;NZWRPWDGHULOGU-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135256;MM135256;CC(=O)NN(C)CCF;VBGIDNKSAHZBLG-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135257;MM135257;CCCN(C)NC(=N)N;OSJGJUFDFPVEJE-UHFFFAOYSA-N;130.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135258;MM135258;CN(CCO)NC(=N)N;CUYHNVYBHMWGOX-UHFFFAOYSA-N;132.17;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135259;MM135259;CCCc1cn(O)c(C)n1;XSFDOZHRGNEOAQ-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135260;MM135260;CN(CCO)NC(N)=O;BGQDZEIXEDKOAY-UHFFFAOYSA-N;133.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135261;MM135261;C=C(C)CC(C)CC=O;UPUNRENWKQNARL-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135262;MM135262;C=C(C)CC(C)CC#N;WOYJULKCSUHDAS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135263;MM135263;C=CCC(C)CC(C)=O;GLVMKHSOGXAZCS-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135264;MM135264;C=CCC(C)CC(=N)N;KXHPPXNHQSYCIN-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135265;MM135265;CC1(CO)NC1C(O)C#N;NWSMTHUZTYBXOU-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135266;MM135266;C=CCC(C)CC(=O)O;DUJRYVACNDPJIZ-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135267;MM135267;Nc1cn(O)c(=O)c(=O)[nH]1;UFQUWNWBWZRFOB-UHFFFAOYSA-N;143.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135268;MM135268;C=C(F)CC(C)CC=O;RCGRXSRAPXXCOV-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135269;MM135269;C=CCC(N)CC(=C)C;ZTZZXJHOOQPCRV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135270;MM135270;C=CCC(N)CC(N)=O;WJMAARRBEKIRGY-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135271;MM135271;C=CCC(N)CC(=C)F;FKLBHRXONGMYCT-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135272;MM135272;CC(=O)CC(O)CC=O;FAMYQMDKQHBFCS-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135273;MM135273;N#CCC(O)CC(=N)N;IWWNEQQSPJMYSE-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135274;MM135274;N#CCC(O)CC(N)=O;JGNICYPMHKZAGS-UHFFFAOYSA-N;128.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135275;MM135275;O=Cn1cc(O)c(F)c1;ZTRPZVNYEAUEME-UHFFFAOYSA-N;129.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135276;MM135276;CC1=CC(=CO)NC1=O;INYSOLHFHVXTRW-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135277;MM135277;C=CCC(F)CC(=C)C;FXJYLTKGBYGRFD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135278;MM135278;C=C(C)CC(F)CC=O;IHTKSAKEPKMVEL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135279;MM135279;N=C(N)CC(F)CC=O;YHNXDFFQBNJXAU-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135280;MM135280;NC(=O)CC(F)CC=O;RJFVRNMXNDGHFR-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135281;MM135281;C=CCC(F)CC(=O)O;UYALSWRJBFSGCA-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135282;MM135282;C=C(F)CC(F)CC=O;ADHVYFLZDUAZHN-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135283;MM135283;C=C(C)CC(C)NC=N;VQHNIFAZIRJKOD-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135284;MM135284;CC1(CF)OC1C(=O)NN;UTHNHYLLZOTAEY-UHFFFAOYSA-N;148.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135285;MM135285;CC(CC(N)=O)N=CN;MXHIKEVYRZWGSE-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135286;MM135286;C=C(F)CC(C)NC=N;NEZWCNBBCOOPAJ-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135287;MM135287;C=C(F)CNC(=NO)NO;QYABKFRUGMXYIY-UHFFFAOYSA-N;149.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135288;MM135288;C=COC(C)CC(C)=O;IGPLHHQXWKTVJR-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135289;MM135289;CC(CC(N)=O)OC=O;RCTZYZWRRFXWKW-UHFFFAOYSA-N;131.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135290;MM135290;Cn1[nH]cc(O)c1=O;UIEQXZOQBXWNTF-UHFFFAOYSA-N;114.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135291;MM135291;C=COC(C)CC(=C)F;KHGREZAOYLRVGO-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135292;MM135292;C=NOC(C)CC(=C)C;SFZGGVQVGHLRQJ-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135293;MM135293;C=NOC(C)CC(=N)N;WJEIXKWHGXAQIS-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135294;MM135294;CN=CNC(=O)CCCF;JZLVOKDDICJFLU-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135295;MM135295;C=NOC(C)CC(=C)F;ISYCWUCYGONMEW-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135296;MM135296;C=CCC(C)NC(C)=N;XALBVYQKEBSCQH-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135297;MM135297;CC(=NO)NCCOC=O;LCWSAAHBYIFUDP-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135298;MM135298;CC(CC=O)NC(N)=O;FRNJFDKYKSQJOF-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135299;MM135299;C=C(C)OC(C)CC=O;KOPRJQNBXNAKRL-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135300;MM135300;C=C(C)OC(C)CC#N;IGYUSUOXUSXSTH-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135301;MM135301;C=CCC(C)OC(C)=O;ZATQMVYEPCQKMN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135302;MM135302;C=CCC(C)OC(=N)N;OYLTYENIFMAJDG-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135303;MM135303;C=CCC(C)OC(N)=O;ZICSGIQWMRLULJ-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135304;MM135304;C=COC(C)OC(C)=O;BYEBEAWNEFKPRN-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135305;MM135305;C=COC(C)OC(N)=O;NEXKPYHGOOCKQG-UHFFFAOYSA-N;131.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135306;MM135306;CC(OC=O)OC(N)=O;CNKFMDGGBLWNMB-UHFFFAOYSA-N;133.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135307;MM135307;C=CCN(C)CC(=C)C;AVOJXDWKFUXGRA-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135308;MM135308;C=CCN(C)CC(=N)N;LJFSUHNFJQSGTM-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135309;MM135309;CN(CC=O)CC(=N)N;UDZCPNZJLYZSSA-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135310;MM135310;CN(CC#N)CC(=N)N;WVZZVXJKTYWQSJ-UHFFFAOYSA-N;126.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135311;MM135311;CCNNC(=O)C1(O)CC1;ZVMUKJLWCDCVQZ-UHFFFAOYSA-N;144.17;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135312;MM135312;N#CC(CCO)N=CNO;HFEKAAMRZZYKAT-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135313;MM135313;CC(=O)CN(C)N=CN;LZSVEVPKFMTJOR-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135314;MM135314;CN(CC(=N)N)NC=O;FLDRTZBDEVJENN-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135315;MM135315;CN(CC(N)=O)N=CN;FSYXFBQOZQZKQJ-UHFFFAOYSA-N;130.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135316;MM135316;Cn1cnc(O)nc1=O;NPRMJPOPXSWHBL-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135317;MM135317;C=C(F)CN(C)NC=O;QMPLLNDSTDGQCM-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135318;MM135318;CC(=N)NN(C)CC#N;MKZGWRCMFJZJCL-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135319;MM135319;CN(CC=O)NC(=N)N;VKHOVFUQVRIGMZ-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135320;MM135320;COC=CNC(=NO)NO;ZMPHHUFYGRXFCT-UHFFFAOYSA-N;147.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135321;MM135321;C#CCC(O)CC(=N)N;OWRYUSQELDCTSC-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135322;MM135322;C#CCC(O)CC(=C)F;IDSDLLQDTYFPNX-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135323;MM135323;C#CCC(F)CC(=C)C;TVFOIYFFVKZLAC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135324;MM135324;C#CCC(F)CC(N)=O;RHZGQRJMVGYNDS-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135325;MM135325;C#CCC(F)CC(=O)O;DTWQHFHWVGQPAF-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135326;MM135326;C#CCC(C)NC(C)=N;QKNBXGDXZVBQHT-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135327;MM135327;C#CCC(C)NC(C)=O;POFAWZZBJSMOFU-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135328;MM135328;C#CCC(C)OC(=C)C;OXUKGIKRCBLDNM-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135329;MM135329;C#CCC(C)OC(C)=O;DHRHUKODIYKXSN-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135330;MM135330;C#CCC(C)OC(N)=O;DJSPNARHFUZDJE-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135331;MM135331;C#CCN(C)CC(=N)N;GCEQMOSOFWRUFC-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135332;MM135332;C#CCN(C)CC(=C)F;BBQVPSVMIVNAGJ-UHFFFAOYSA-N;127.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135333;MM135333;C#CCN(C)NC(C)=O;PZSHYQCZJRVGEH-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135334;MM135334;C#CCN(C)NC(=N)N;JASULNSSWSYJSO-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135335;MM135335;C#CCN(C)NC(N)=O;LBUKLGDMXLHWJR-UHFFFAOYSA-N;127.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135336;MM135336;C=C(CCC)CC(C)C;LKZBMUCWYPLUND-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135337;MM135337;C=C(CCC)CC(C)N;DCXZCZBUHICJOI-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135338;MM135338;CCCC=CC(CC)=NO;ILKKURIFWDKXPN-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135339;MM135339;C=C(CCN)CC(C)O;YISWPFVUJJMSHZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135340;MM135340;CN(C=NO)C(CO)CO;QADSVLOMKWNRTF-UHFFFAOYSA-N;148.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135341;MM135341;C=C(CCC)CC(C)F;LTQNLVVPBRNLEY-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135342;MM135342;C=C(CCF)CC(C)F;ITSDQJSWNWLLHK-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135343;MM135343;C=C(CCC)CC(F)F;JARGKHUHZHQCES-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135344;MM135344;C=C(CCN)CC(F)F;QLFRHYHJLZWCHJ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135345;MM135345;C=C1CNC(=NO)C=C1C;PAJRYLXIBVZYQG-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135346;MM135346;C=C(CCF)CC(F)F;WIMSPUIWOGJTIC-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135347;MM135347;CCCC(=O)CC(C)C;AKRJXOYALOGLHQ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135348;MM135348;CC(O)CC(=O)CCO;MKRVHXKWYKCAMC-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135349;MM135349;CC(F)CC(=O)CCF;IQTYZJMANGFURB-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135350;MM135350;O=C(CCF)CC(F)F;QWEQOZFDLWMOFA-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135351;MM135351;C=C(CNC)CC(C)C;KWIZUHMMHZDEIP-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135352;MM135352;CNCC(=O)CC(C)C;RSHYISFOKMRWMX-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135353;MM135353;C=C(COC)CC(C)F;UNMTXULGMJSOHI-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135354;MM135354;C=C(COC)CC(F)F;NFODUMOMGZKWBQ-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135355;MM135355;COCC(=O)CC(C)C;GWPZOSJFNMQZFQ-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135356;MM135356;COCC(=O)CC(C)O;OTDZTGGQLPKCFY-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135357;MM135357;COCC(=O)CC(F)F;VFPCLMYHCQXKGU-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135358;MM135358;CCNC(=N)CC(C)C;PSZGMGXOPQVWTQ-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135359;MM135359;CCNC(=N)CC(C)N;FNHJKCQPEVJBAX-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135360;MM135360;CCNC(=N)CC(C)F;GJQLIORITJKIPS-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135361;MM135361;C=CC=C1CCC(=NO)N1;STKXJFPWUBQSEE-UHFFFAOYSA-N;138.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135362;MM135362;CCNC(=O)CC(C)N;CTIVPEJMDNOVRJ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135363;MM135363;CCNC(=O)CC(C)O;GSIPBDZNJDVUEQ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135364;MM135364;CNNC(=N)CC(C)F;ZMGINKXQDNXVIA-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135365;MM135365;C#CCN1C=NC(C#N)C1;RLWHPERQQLCUPG-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135366;MM135366;CCCC1C=CC(=NO)N1;CAHYDLOZAXDDOP-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135367;MM135367;CONC(=N)CC(C)C;XJOCSAKIHDAJPL-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135368;MM135368;CONC(=N)CC(F)F;FLCYUILBDOZTIM-UHFFFAOYSA-N;138.12;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135369;MM135369;CONC(=O)CC(C)N;IUZNXGROZAOCOU-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135370;MM135370;C=C(CC(F)F)OCC;VWEKNECWEHYTIS-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135371;MM135371;CCOC(=O)CC(C)N;HHIOOBJZIASBFF-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135372;MM135372;CCOC(=O)CC(C)F;KZZPJIREOPELMH-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135373;MM135373;CCCC(=N)NC(C)C;FRDWEEOMMUMPIY-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135374;MM135374;CC(C)NC(=N)CCO;DILNPSWVKJBZJZ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135375;MM135375;CC(C)NC(=N)CCF;GOSAUISIXPLQMP-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135376;MM135376;CC(C)NC(=O)CCN;GAECNGVBKMNHGG-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135377;MM135377;CC(C)NC(=O)CCO;GFIMYQPGBOREPO-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135378;MM135378;CNCC(=N)NC(C)C;VDFHLBIKPHFHSX-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135379;MM135379;CNCC(=O)NC(C)C;QYNMIIFWHFZEOX-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135380;MM135380;CCNC(=N)NC(C)C;NHWGKKKDYFPUIK-UHFFFAOYSA-N;129.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135381;MM135381;CCOC(=N)NC(C)C;YBIIFAPYBZBXFU-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135382;MM135382;CCOC(=O)NC(C)C;JGRPZAGOYKNIAC-UHFFFAOYSA-N;131.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135383;MM135383;C=C(CCN)OC(C)C;WKOLDYUOVGJWMT-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135384;MM135384;CCCC(=O)OC(C)C;FFOPEPMHKILNIT-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135385;MM135385;C=C(CNC)OC(C)C;VMKGYDAWFQUTFY-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135386;MM135386;CCNC(=N)OC(C)C;QGZBZCMCXDILGI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135387;MM135387;CCOC(=O)OC(C)C;AEHVMUMGWLAZNV-UHFFFAOYSA-N;132.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135388;MM135388;C=C(CCC)CN(C)C;QYMUHGCZZWNPMW-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135389;MM135389;C=C(CCO)CN(C)C;BCYYWJDVRZLQCG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135390;MM135390;C=C(CCF)CN(C)C;WSFTZFAWGJGODD-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135391;MM135391;CCCC(=N)NN(C)C;BWLCCPUKTDPBHD-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135392;MM135392;CN(C)NC(=N)CCF;OZENMXBNPUJCKO-UHFFFAOYSA-N;133.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135393;MM135393;CN(C)NC(=O)CCO;CNSLWCCLZVKPNA-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135394;MM135394;CN(C)NC(=O)CCF;KDUQYGBXTJGFOD-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135395;MM135395;CNCC(=N)NN(C)C;CBAZYUNHQYJWDQ-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135396;MM135396;COCC(=N)NN(C)C;VMZFSEHDVJFTMM-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135397;MM135397;COCC(=O)NN(C)C;PEOHFKCMMGYMKS-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135398;MM135398;CCNC(=N)NN(C)C;SRNKGQJJVVJJAW-UHFFFAOYSA-N;130.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135399;MM135399;CCN1C(C)C1C(O)C#N;AIWYZKIVNMINEI-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135400;MM135400;CONC(=O)NN(C)C;YYSNPKAHDXOTPD-UHFFFAOYSA-N;133.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135401;MM135401;CCOC(=O)NN(C)C;NIJWXUGAAAYSGY-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135402;MM135402;C=CCC(=C)CC(C)C;NPJNWBUXEICOGM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135403;MM135403;C=C(CC=O)CC(C)C;OZABGFBUHVQZAO-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135404;MM135404;C=C(CC#N)CC(C)C;GJEJJAJTFFZUSR-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135405;MM135405;C=CCC(=C)CC(C)N;RWNFSQMQTGDCHQ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135406;MM135406;CNN=CC1CN1C=NO;FMVHQXNIEXMNBX-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135407;MM135407;CC=C1C=CC(=NO)CC1;WNYXEHQBELWBRQ-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135408;MM135408;C=CCC(=C)CC(C)F;SPFCUIAXHXKBDY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135409;MM135409;C=C(CC#N)CC(C)F;USMPPNDZPMZRKG-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135410;MM135410;C=CCC(=C)CC(F)F;QYMRIAZRDWQAES-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135411;MM135411;C=CCC(=O)CC(C)C;WTTWAQIICQLHNY-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135412;MM135412;C=CCC(=O)CC(C)F;DFNSASJBVZFISH-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135413;MM135413;C=C(CC(C)F)NC=N;GXNRHGNSQSLOHW-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135414;MM135414;C=CNC(=N)CC(C)C;XRROENHQIGAMBP-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135415;MM135415;CC(C)CC(=N)NC=N;ZTGFWIZJYDTAQL-UHFFFAOYSA-N;127.19;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135416;MM135416;C=CNC(=N)CC(C)F;ULKXMSYHZZLVQR-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135417;MM135417;CCC(=NO)N(C)N;BJGJHLFBZNVLPO-UHFFFAOYSA-N;117.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135418;MM135418;C=CNC(=O)CC(C)C;JQKRPWKWFLWERN-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135419;MM135419;CC(C)CC(=O)NC=O;XBBJSIRLXHTLKN-UHFFFAOYSA-N;129.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135420;MM135420;C=CNC(=O)CC(C)N;AIGKZWSEJIPBJO-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135421;MM135421;CC(N)CC(=O)NC=O;MGRYXTWDZRSZBZ-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135422;MM135422;CC1NC1C(O)C#N;UFVIDYWRBUMKQT-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135423;MM135423;C=CNC(=O)CC(F)F;MAKDNGVDRXSUBO-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135424;MM135424;CN1CC1C(O)C#N;POLKLIDSFYPOEU-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135425;MM135425;O=CNC(=O)CC(F)F;QDVYMWKVPPNTRX-UHFFFAOYSA-N;137.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135426;MM135426;ON=CNCC1CO1;ZYXSZSMEKDDXAK-UHFFFAOYSA-N;116.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135427;MM135427;C=CC(CC(C)C)=NO;WYRAZQXSPYYVQL-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135428;MM135428;C=NOCC(O)C(F)F;ABZQQNXRCBKMMR-UHFFFAOYSA-N;139.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135429;MM135429;C=NNC(=O)CC(C)F;ZPCOLKRACGMLDU-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135430;MM135430;C=NNC(=O)CC(F)F;RZUZAAQFDDVDEJ-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135431;MM135431;C=COC(=C)CC(C)C;WZRXNJANVSLSCZ-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135432;MM135432;C=C(CC(C)O)OC=O;HTJFCQNISNKBLE-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135433;MM135433;C=COC(=C)CC(C)F;YEXVRFQNIBARLB-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135434;MM135434;C=C(CC(C)F)OC=O;OEGORFSMKHUMIJ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135435;MM135435;C=C(CC(F)F)OC=O;QSCFIGZMSPEBPR-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135436;MM135436;C=COC(=O)CC(C)F;QOYMDAMPYBPTHQ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135437;MM135437;C=NOC(=O)CC(C)F;GOOFSERRPWQRRR-UHFFFAOYSA-N;133.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135438;MM135438;C=CCC(=N)NC(C)C;VUSIHKMPNVVIFT-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135439;MM135439;C=CCC(=O)NC(C)C;KEFQXZVDFOJGOH-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135440;MM135440;CC(C)NC(=O)CC#N;LOAHXFVORLJMML-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135441;MM135441;C=CCC(=C)OC(C)C;ZEBCCPUKTAVQBD-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135442;MM135442;C=C(CC=O)OC(C)C;VYFXRADGNUCWMU-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135443;MM135443;C=C(CC#N)OC(C)C;PNAZNSKISJOULU-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135444;MM135444;C=CCC(=O)OC(C)C;PGOZNRKWKUHCGC-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135445;MM135445;CC(C)OC(=O)CC=O;MECLWDMIXNHNNR-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135446;MM135446;CC(C)OC(=O)CC#N;BESQLCCRQYTQQI-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135447;MM135447;C=C(NC=O)OC(C)C;OTZJXKBSXKVSNQ-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135448;MM135448;CC(C)OC(=O)NC=N;MONGEDJHCJTYPI-UHFFFAOYSA-N;130.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135449;MM135449;C=CCC(=C)CN(C)C;PDVGOVIMMXXGTK-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135450;MM135450;C=CCC(=N)NN(C)C;NUZOZHCROPDUKN-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135451;MM135451;C=C1NC(=NO)CC1C;LQJLGAAZUFKJRS-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135452;MM135452;CN(C)NC(=N)NC=N;GBWVDZWUMGRPGA-UHFFFAOYSA-N;129.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135453;MM135453;CN(C)NC(=N)NC=O;KRYXMGWPAGOERK-UHFFFAOYSA-N;130.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135454;MM135454;C=CNC(=O)NN(C)C;MGEGWFWCCZNGEH-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135455;MM135455;CCNc1nc(F)c[nH]1;JRKLGVDCMXVUPW-UHFFFAOYSA-N;129.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135456;MM135456;C=NNC(=N)NN(C)C;KDUBCHSAPAIXLL-UHFFFAOYSA-N;129.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135457;MM135457;C=NNC(=O)NN(C)C;OOWYHHPXHGBZMI-UHFFFAOYSA-N;130.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135458;MM135458;CNN(C=O)C(=O)NN;YNZDGWPOKSGADA-UHFFFAOYSA-N;132.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135459;MM135459;C#CCC(=C)CC(C)C;KUFXRSZSJNFULZ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135460;MM135460;C#CCC(=C)CC(C)N;ZNQHXPKLFAWLPI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135461;MM135461;CCC1NC1C(O)C#N;PWNSPKKXUIYGNF-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135462;MM135462;C#CCC(=C)CC(C)F;NNXSZLNETIRGED-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135463;MM135463;C#CCC(=C)CC(F)F;CXBAIVSSEXLHAK-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135464;MM135464;C#CCC(=O)CC(C)C;JNQNIAWCPYPIAC-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135465;MM135465;C#CCC(=O)NC(C)C;YANSCHQAEWNSRK-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135466;MM135466;C#CCC(=C)OC(C)C;CINVOSHHTVDADC-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135467;MM135467;C#CCC(=O)OC(C)C;GIXVRKNXGFWSNK-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135468;MM135468;C#CCC(=C)CN(C)C;HDVBIUZYFXJOIK-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135469;MM135469;C#CCC(=O)NN(C)C;NBSZVUUNBSFISW-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135470;MM135470;C=C(C)CC(=C)CCN;BATMTRYWJDOISZ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135471;MM135471;CCN1CC1C(O)C#N;ZAZRIXWQNIBKMH-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135472;MM135472;C=C(CCC)CC(C)=O;GUGVINKUWKUFTP-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135473;MM135473;C=C(CCO)CC(C)=O;LIHVWLPTPKUDPO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135474;MM135474;C=C(CCF)CC(C)=O;LQSNVTAQGIJVRQ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135475;MM135475;C=C(CCC)CC(=N)N;SATFOTZAULTXQL-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135476;MM135476;C=C(CCN)CC(=N)N;XVVBSGKKFJKREV-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135477;MM135477;C=C(CCF)CC(=N)N;NKNDFBOUPJHAGX-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135478;MM135478;C=NOCCNC=NO;SUWQKESPKYBKID-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135479;MM135479;C=C(CCN)CC(N)=O;VICLNUXSJBOLNF-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135480;MM135480;C=C(CCF)CC(N)=O;VKRQEAXZHCNEKV-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135481;MM135481;C=C(CCF)CC(=O)O;WGERVKIKYOKRTD-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135482;MM135482;CNC(=NO)OC(C)(C)C;WRKURSANIOGHCK-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135483;MM135483;C=C(F)CC(=C)CCF;MGXQRXRZWMAUML-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135484;MM135484;C=C(C)CC(=O)CCF;DDVBSXFTLXSBPA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135485;MM135485;N=C(N)CC(=O)CCF;IALBLDHKYRSVTK-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135486;MM135486;NC(=O)CC(=O)CCF;WJGNYLYOOBQQOB-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135487;MM135487;C=C(F)CC(=O)CCF;CRZBKFZRDMCMBO-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135488;MM135488;C=C(CNC)CC(=N)N;VQPMNNUACSPATO-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135489;MM135489;C=C(CNC)CC(N)=O;MXAWKCONBVVVDA-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135490;MM135490;Nc1on(O)c(=O)c1N;MJTGYMXGBRWQDF-UHFFFAOYSA-N;131.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135491;MM135491;C=C(C)CC(=N)NCC;FFMOQFKTUDTJCD-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135492;MM135492;C=C(F)CC(=N)NCC;INXRCGVLYICGAZ-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135493;MM135493;C=C(C)CC(=N)NNC;IRDUVDYNNBKXNI-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135494;MM135494;C=C(F)CC(=N)NNC;CZAPYYQRYDBWIF-UHFFFAOYSA-N;131.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135495;MM135495;NC(C#CCF)C(F)(F)F;HQANQBJNMUPMKU-UHFFFAOYSA-N;155.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135496;MM135496;Oc1coc(O)c1O;RRQHHEHFZQRICE-UHFFFAOYSA-N;116.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135497;MM135497;N#CC(CCC=O)=NO;ULYKEYFAHWTWAG-UHFFFAOYSA-N;126.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135498;MM135498;CNc1cc(=O)n(O)cn1;HGLWIUHMCRJQTI-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135499;MM135499;C=C(C)CC(=C)OCC;DHTFXSACIOVHMN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135500;MM135500;C=C(CC(C)=O)OCC;JCFLKJORNKPJIA-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135501;MM135501;CNN=c1occ(O)o1;IFIAUXSUIPMUKE-UHFFFAOYSA-N;130.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135502;MM135502;C=C(F)CC(=C)OCC;IKAZWIRTQLWFBY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135503;MM135503;C=C(CCC)NC(C)=N;IYMPZKFIPMYXIQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135504;MM135504;C=C(CCF)NC(C)=N;UAKYFSYJMRFJOJ-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135505;MM135505;C=C(CCC)NC(C)=O;XEUYVWNLSOQTQS-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135506;MM135506;C=C(CCN)NC(C)=O;RSQYIANEYHEJFY-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135507;MM135507;C=C(CCO)NC(C)=O;WTZUPWPRRUOHNT-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135508;MM135508;C=C(CCF)NC(C)=O;OVLFESNTQWYJRJ-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135509;MM135509;C=C(CCN)NC(=N)N;SDIOAPOAGJKGDN-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135510;MM135510;C=C(CCO)NC(=N)N;JHUGRNGKHPRGKS-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135511;MM135511;C=C(CCC)NC(N)=O;PPDCVIIRIKVNBZ-UHFFFAOYSA-N;128.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135512;MM135512;C=C(CCN)NC(N)=O;FUJOGTXUUQSAOY-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135513;MM135513;C=C(C)NC(=N)CCC;PPEISLAOCPQYKV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135514;MM135514;C=C(C)NC(=N)CCN;RAAPCHGABKLDKJ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135515;MM135515;CC(=N)NC(=N)CCO;IFSUIJXEDDTOBD-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135516;MM135516;CC(=N)NC(=N)CCF;MSNCJDQRIGGOPC-UHFFFAOYSA-N;131.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135517;MM135517;N=CNC(=O)NCC(F)F;CHPYQSWYTDMNDH-UHFFFAOYSA-N;151.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135518;MM135518;CCCC(=N)NC(=N)N;BEDSPEQCUIVDLH-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135519;MM135519;CC(F)=CCC(=O)NC=N;KCTXHCBIXIBNCE-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135520;MM135520;C=C(C=NNC(C)=O)CC;MXDMPDCYXNFEDP-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135521;MM135521;C=C(C)NC(=O)CCC;DANZYTAYCSPCLN-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135522;MM135522;C=C(C)NC(=O)CCN;KRLGCMIWLYBYPA-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135523;MM135523;C=C(C)NC(=O)CCO;MXSYHJNSNMRQSX-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135524;MM135524;C=C(C)NC(=O)CCF;GACOUTHEAXYCBP-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135525;MM135525;CC(=N)NC(=O)CCN;MWPJCHMNGKWSBW-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135526;MM135526;CC(=O)NC(=O)CCN;NXAKSVCEZFDCOC-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135527;MM135527;CC(=O)NC(=O)CCO;PJPIFPWCNVEKSC-UHFFFAOYSA-N;131.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135528;MM135528;CC(=O)NC(=O)CCF;HKIYINDVJNEVCA-UHFFFAOYSA-N;133.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135529;MM135529;CCCC(=O)NC(=N)N;OZRCULZKJLSCQW-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135530;MM135530;N=C(N)NC(=O)CCF;GETLWPOGGZBABQ-UHFFFAOYSA-N;133.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135531;MM135531;NC(=O)NC(=O)CCO;FJNQALPHBYLTOH-UHFFFAOYSA-N;132.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135532;MM135532;C=C(CNC)NC(C)=O;WOINHHTXZVMTFN-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135533;MM135533;C=C(C)NC(=N)CNC;XSSHTSRXYUBGFB-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135534;MM135534;CNCC(=N)NC(C)=N;PHVUCSBWRWDZNJ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135535;MM135535;CNCC(=N)NC(=N)N;VIZAEHVJVMXHOX-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135536;MM135536;CNCC(=O)NC(C)=N;HEYPCMYTORIJKX-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135537;MM135537;CNCC(=O)NC(=N)N;TYSRYPGBAVDGIQ-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135538;MM135538;CNCC(=O)NC(N)=O;XMCMVEHESPEKJG-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135539;MM135539;C=C(COC)NC(=N)N;VDXANLNGYKMAFO-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135540;MM135540;COCC(=N)NC(C)=N;HHVCYSYUXYONOB-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135541;MM135541;COCC(=N)NC(C)=O;WPDBMBPVRJVYDL-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135542;MM135542;COCC(=N)NC(N)=O;WKFZZDDFNCTZMB-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135543;MM135543;CCNC(=NO)OC(C)C;MESWXWMGPARIGY-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135544;MM135544;COCC(=O)NC(=N)N;JUHBWEYTEBTVJO-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135545;MM135545;CCNC(=N)NC(C)=N;XOSHAVAGJZWCMS-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135546;MM135546;CCNC(=N)NC(=N)N;XWFPIJRFFLYWRN-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135547;MM135547;CC(C)CCC=CC=NO;QOKRLYUTAFSHRQ-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135548;MM135548;CCNC(=O)NC(C)=O;XNHWXAWQSACJOQ-UHFFFAOYSA-N;130.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135549;MM135549;CNNC(=N)NC(C)=N;XYRONRPCKJPUAY-UHFFFAOYSA-N;129.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135550;MM135550;CNNC(=N)NC(C)=O;WJHHDVSMCUFHRJ-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135551;MM135551;CNNC(=N)NC(=N)N;ZWEIICSOSNRCEK-UHFFFAOYSA-N;130.16;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135552;MM135552;CNNC(=O)C1(O)CC1C;YTPDEVXQHWRXOE-UHFFFAOYSA-N;144.17;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135553;MM135553;CNC(=O)NC(=NO)NN;XGJUIWQMBHOPIP-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135554;MM135554;C#CC(CO)NC(C)=NO;XCBIIOSBKBMNAT-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135555;MM135555;CNNC(=O)NC(=N)N;FKIKRQCNRDSBMO-UHFFFAOYSA-N;131.14;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135556;MM135556;CONC(=N)NC(=N)N;FOSDIMVQRCXVDC-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135557;MM135557;CONC(=O)NC(C)=O;LLWFLWXQNWCQQB-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135558;MM135558;C=C(NC(C)=N)OCC;JHDLGCPXBCEBIS-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135559;MM135559;C=C(C)NC(=N)OCC;ARZMSUCJADNNDE-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135560;MM135560;CCOC(=N)NC(C)=N;BKSLPMLLTFAROD-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135561;MM135561;CCOC(=N)NC(C)=O;GLEAMRNBTDCBNX-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135562;MM135562;CCOC(=N)NC(N)=O;WSSLHTSCHIVPPK-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135563;MM135563;C=C(C)NC(=O)OCC;VEAIAXIGHXNFOY-UHFFFAOYSA-N;129.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135564;MM135564;CCOC(=O)NC(C)=N;MHEUCALNWYDCTR-UHFFFAOYSA-N;130.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135565;MM135565;CCOC(=O)NC(N)=O;PIHPSKJRLDSJPX-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135566;MM135566;C=C(C)OC(=C)CCC;UEDZCBZEARLILT-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135567;MM135567;C=C(C)OC(=C)CCO;KLANOCGYWBCYJJ-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135568;MM135568;C=C(CCC)OC(C)=O;FMCKIFRVQWUXOM-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135569;MM135569;C=C(CCF)OC(C)=O;ODZOSQDWNKCMCQ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135570;MM135570;C=C(C)OC(=O)CCC;PDBWEHKCAUAROT-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135571;MM135571;C=C(C)OC(=O)CCF;OASCCTCBKLNLIQ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135572;MM135572;C=C(C)OC(=O)OCC;BGMVLBBDIMNGTP-UHFFFAOYSA-N;130.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135573;MM135573;C=CCC(=C)CC(=C)C;USLOFPZSNURGTK-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135574;MM135574;C=C(C)CC(=C)CC=O;MJFNNIAUGTVAFP-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135575;MM135575;C=C(C)CC(=C)CC#N;UWYFMJSTVLHIJJ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135576;MM135576;C=CCC(=C)CC(C)=O;LDHMDXXCOCJXNS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135577;MM135577;C=C(CC#N)CC(C)=O;FZDVBARSDACNGS-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135578;MM135578;C=CCC(=C)CC(=N)N;ABJNSEGNFWXDBW-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135579;MM135579;CC(CN=CNC=O)=NN;OKRWFJPYMLKCEG-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135580;MM135580;C=C(CC=O)CC(N)=O;LCUUCZDCHLGHNI-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135581;MM135581;C=CCC(=C)CC(=O)O;RSFYFWLKTGDXEH-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135582;MM135582;C=C(CC#N)CC(=O)O;WAAGWLGWOJPDDX-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135583;MM135583;C=CCC(=C)CC(=C)F;MZUANSCXPOKSJJ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135584;MM135584;C=C(F)CC(=C)CC=O;JTSHSWMKTDYDOT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135585;MM135585;C=C(F)CC(=C)CC#N;QJMZFOFKWAHECF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135586;MM135586;C=CCC(=O)CC(=C)C;PMRGEILLDVJOOL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135587;MM135587;C=CCC(=O)CC(C)=O;DEWYXAOLJVENFO-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135588;MM135588;C=CCC(=O)CC(N)=O;KIHFSMCLOMDKPA-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135589;MM135589;C=CCC(=O)CC(=C)F;KXLFGOKXCMDWTF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135590;MM135590;C=C(C)CC(=C)NC=N;IHWZAVZFLMDIBE-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135591;MM135591;C=C(C)CC(=C)NC=O;IFMXUSFOCWIXCP-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135592;MM135592;C=C(CC(=N)N)NC=N;CPLPRXUJZPXVHC-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135593;MM135593;C=C(F)CC(=C)NC=O;AMDZIKGEOZYVDJ-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135594;MM135594;C=CNC(=N)CC(=C)C;IGRKBRCWQZAIPP-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135595;MM135595;CCC#CC(=NO)N(C)C;FRNFJUGWPJYHAR-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135596;MM135596;C=CNC(=N)CC(=N)N;IHSNIVBFEGROJK-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135597;MM135597;N=CNC(=N)CC(=N)N;VZZWETKTFUABQZ-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135598;MM135598;N=C(N)CC(=N)NC=O;GLWCLIWKDWUNAL-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135599;MM135599;N=CNC(=N)CC(N)=O;BRRIHHOYRUKVRU-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135600;MM135600;C#CCNNC(=NO)NO;JVOHURIYYKRQGX-UHFFFAOYSA-N;144.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135601;MM135601;CCc1nn[nH]n1;KYRMPMCAOPMOIR-UHFFFAOYSA-N;98.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135602;MM135602;C=CNC(=N)CC(=C)F;UYFREEQPBMIJLL-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135603;MM135603;C=C(F)CC(=N)NC=N;NYXYJPOPHZSDJT-UHFFFAOYSA-N;129.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135604;MM135604;C=C(OCC)C(=NO)NC;ZMRCCJHZXDPJTR-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135605;MM135605;C=CNC(=O)CC(=C)C;FUJUWBMLXCJOBO-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135606;MM135606;CC(=O)CC(=O)NC=N;GHEZWCAVPITJME-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135607;MM135607;C=CNC(=O)CC(=N)N;UXHFBCOOFMAEGC-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135608;MM135608;N=CNC(=O)CC(=N)N;KIIAIDFZANZTEM-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135609;MM135609;N=C(N)CC(=O)NC=O;YQEKRHABSIMPCW-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135610;MM135610;C=CNC(=O)CC(N)=O;JZELBBIAPHIEBB-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135611;MM135611;C=C(C)C1=CCC(=NO)N1;GYVPWKVEKRCAHR-UHFFFAOYSA-N;138.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135612;MM135612;NC(=O)CC(=O)NC=O;YVNLIMMJWGYGBS-UHFFFAOYSA-N;130.1;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135613;MM135613;C=C(CF)C(C#N)=NO;MIHYDKBHBDDVQC-UHFFFAOYSA-N;128.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135614;MM135614;C=CNC(=O)CC(=C)F;DKJCWHJXSHAHIF-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135615;MM135615;CCCC1CCC(=NO)N1;JJQWEMASIJEDJW-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135616;MM135616;C=C(F)CC(=O)NC=O;DNABNKKQKGWZEL-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135617;MM135617;C=NNC(=N)CC(=N)N;IWCLYMQXFSMUPK-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135618;MM135618;CNc1ccn(CC#N)n1;JPZYOXXMZXUYTO-UHFFFAOYSA-N;136.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135619;MM135619;CCCC1NC1C(O)C#N;XOSLGCPIPYFPQS-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135620;MM135620;CCCN1CC1C(O)C#N;NBERJDPVNYSQOA-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135621;MM135621;C=NNC(=O)CC(=N)N;MRUQTTOJOJJDJY-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135622;MM135622;C=COC(=C)CC(=C)C;CRJOSZAQOGTYDE-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135623;MM135623;C=COC(=C)CC(C)=O;UCXFBJGLLHFEJM-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135624;MM135624;C=COC(=C)CC(N)=O;RZIIIADAYCINBX-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135625;MM135625;CC(F)COC(CF)=NO;ZGAITFMOPDATEG-UHFFFAOYSA-N;153.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135626;MM135626;C=COC(=O)CC(=C)C;UOWBQUGYYBHLPN-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135627;MM135627;C=COC(=O)CC(=N)N;SYXNKRYOMCYIAF-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135628;MM135628;C=COC(=O)CC(N)=O;RXFBPHCLFQARSA-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135629;MM135629;C=COC(=O)CC(=C)F;UAXMUMRUVPEDCQ-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135630;MM135630;C=NOC(=O)CC(=C)C;LDGFATKWCUIIRR-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135631;MM135631;C=NOC(=O)CC(=N)N;POCNPCVQRRQQGL-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135632;MM135632;C=CCC(=C)NC(C)=N;YXZHOVYWMBOGDU-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135633;MM135633;C=CCC(=C)NC(C)=O;NRNPPPJWOUOMRU-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135634;MM135634;C=CCC(=C)NC(N)=O;LRASSFZYPLEQAI-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135635;MM135635;C=CCC(=N)NC(=C)C;FVSPTHZPFRRYJP-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135636;MM135636;CC(=N)NC(=N)CC#N;XLIBQBMAXSHXBY-UHFFFAOYSA-N;124.15;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135637;MM135637;CC(=O)NC(=N)CC#N;VHRVHJLAKSTTBQ-UHFFFAOYSA-N;125.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135638;MM135638;C=CCC(=N)NC(=N)N;RWRZPBHSIPINOA-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135639;MM135639;N#CC(O)C1NC1CC=O;JSFASRURFDLEOZ-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135640;MM135640;C=CCC(=O)NC(=C)C;OZODFIPEMJEEIS-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135641;MM135641;N#CCC(=O)NC(=N)N;LTRMOUYRMDEEOR-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135642;MM135642;C=C(NC=N)NC(=N)N;NKLUFCUZEYSSIL-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135643;MM135643;C=C(NC=N)NC(N)=O;DXGCZPVJVSGTJX-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135644;MM135644;CC(=N)NC(=N)NC=N;USOCOBSJNNSPGX-UHFFFAOYSA-N;127.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135645;MM135645;CC(=N)NC(=N)NC=O;NPHMGZQAUAAGFN-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135646;MM135646;C#CCC1NC1C(O)C#N;BYMCOJZAMHZSTA-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135647;MM135647;C=CNC(=N)NC(=N)N;DBFSTIFCRWDNJR-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135648;MM135648;C=CNC(=O)NC(=C)C;UGKQIALRKGCAQB-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135649;MM135649;CNN=CCN=CNC=O;IGPYGBRFUKBBTB-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135650;MM135650;C=CC1=CCC(=NO)NC1;LXZLAQDCXCPNRT-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135651;MM135651;Cc1n[nH]c(N)n1;FJRZOOICEHBAED-UHFFFAOYSA-N;98.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135652;MM135652;ON=C1CC=CN1;MHDGUXZSCABEHA-UHFFFAOYSA-N;98.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135653;MM135653;CC(=O)NC(=O)NC=O;AZKQRGICIZPMSM-UHFFFAOYSA-N;130.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135654;MM135654;N=C(N)NC(=O)NC=O;FZRLQKWPVXUUMS-UHFFFAOYSA-N;130.11;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135655;MM135655;C=COC(=C)NC(C)=N;YJRNDKXPTRNBAG-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135656;MM135656;C=COC(=C)NC(C)=O;MAIWWQRXZYQUJP-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135657;MM135657;CC(=O)NC(=N)OC=O;OVTDYQBYNYYXIJ-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135658;MM135658;N=C(N)NC(=N)OC=O;MBKOUNJCHBLWGI-UHFFFAOYSA-N;130.11;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135659;MM135659;C=NOC(=O)NC(C)=O;UEKAVFDKLVMDFD-UHFFFAOYSA-N;130.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135660;MM135660;C=C(C)OC(=C)CC#N;JHMCZGPALVPFDO-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135661;MM135661;C=CCC(=C)OC(C)=O;QNPKBIMFIXWKCB-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135662;MM135662;C=CCC(=O)OC(=C)C;YMFIUKQOCXEZCF-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135663;MM135663;C=C(C)OC(=O)CC#N;XIEXLJJENIEWAO-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135664;MM135664;C=C(C)OC(=C)NC=N;OIJPFTJMWIDJOR-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135665;MM135665;C=C(C)OC(=C)NC=O;CSKLDJMCYSEGIO-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135666;MM135666;CC(=O)OC(=N)NC=O;OLIIPFHFUGSFAN-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135667;MM135667;C=COC(=O)OC(=C)C;BALAJDLMEGJTTQ-UHFFFAOYSA-N;128.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135668;MM135668;C#CCC(=C)CC(=C)C;RISABGOGSQRYHO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135669;MM135669;C#CCC(=C)CC(N)=O;SMNGPDPYQDBOKU-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135670;MM135670;C#CCC(=C)CC(=O)O;CVUZXNRPZINZHU-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135671;MM135671;C#CCC(=C)CC(=C)F;ZPIYKVOQLVTRQF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135672;MM135672;C#CCC(=O)CC(=C)C;ADYULYDUOHIGQT-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135673;MM135673;C#CCC(=O)CC(=C)F;RXTFPZPSFQZQHD-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135674;MM135674;C#CCC(=C)NC(C)=N;AFFYZJVBUXHMKK-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135675;MM135675;C#CCC(=C)NC(C)=O;HVJNFHIAJQBJEO-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135676;MM135676;C#CCC(=C)NC(=N)N;AIJAZZSSZPQOFX-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135677;MM135677;C#CCC(=N)NC(C)=O;JEALEJAKKHHRQF-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135678;MM135678;C#CCC(=N)NC(=N)N;ZBEYEJQNNONLIE-UHFFFAOYSA-N;124.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135679;MM135679;N#CC(O)C1CN1;VUFPSTHVEZWHGI-UHFFFAOYSA-N;98.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135680;MM135680;C=CC=NNC(C)=O;QVEIJNKZAUDMDO-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135681;MM135681;C#CCC(=O)NC(=N)N;HIFMNGHTJBQHIY-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135682;MM135682;C#CCC(=O)NC(N)=O;IBNYJXWTWOHJCB-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135683;MM135683;C#CCC(=C)OC(C)=O;PDPJYFNKHQURMW-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135684;MM135684;C#CCC(=O)OC(=C)C;CNSJYSOEGHTHGD-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135685;MM135685;CC=CC(C)CC(C)C;TYWQCXCGSWSCFC-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135686;MM135686;CC=CC(C)CC(C)N;KEPYPYZHDAARPL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135687;MM135687;CC(N)CC(C)C=CF;MFHOABWGVLGXGV-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135688;MM135688;N=C1C(F)C=CN1N;UTYRGJOSWCIOKL-UHFFFAOYSA-N;115.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135689;MM135689;CC=CC=NNC(C)=O;IAROQRPLMMCCAV-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135690;MM135690;CC=CC(C)CC(C)F;VUZLZMQUVSGASL-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135691;MM135691;CC(F)CC(C)C=CF;PXIFCQLIUGJWBF-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135692;MM135692;CC=CC(C)CC(F)F;ZFUZTWLRWIMDPP-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135693;MM135693;CC(C=CF)CC(F)F;AGAUWSCQWKPXFO-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135694;MM135694;CC=CC(N)CC(C)C;CHVYLUKQPUXIPN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135695;MM135695;CC(C)CC(N)C=CF;MGUZNBVFQQPLBB-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135696;MM135696;CC=CC(N)CC(C)O;RCTVVTSENHMFCU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135697;MM135697;CC=CC(N)CC(C)F;QBYNYPFXIORRSI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135698;MM135698;CC(F)CC(N)C=CF;CEIJPYFSRXCERZ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135699;MM135699;CC=CC(N)CC(F)F;XVWGEMMBJULTDQ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135700;MM135700;NC(C=CF)CC(F)F;PQPSUENWPTYDDJ-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135701;MM135701;N=C(CC=CF)NC=O;DJPWDAFJUQIPAD-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135702;MM135702;CC=CC(O)CC(C)N;BEWYFXVSTMAFJX-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135703;MM135703;CC(C)CC(F)C=CF;KUJKUPSGCCNPQE-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135704;MM135704;CC=CC(F)CC(C)N;ZDAJGHDSCVPHQR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135705;MM135705;CC(N)CC(F)C=CF;DRPFKTRZHKWCEG-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135706;MM135706;CC=CC(F)CC(C)O;VNPRPSLXHQNVTC-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135707;MM135707;CC(O)CC(F)C=CF;UJCYLBSXNBBTGM-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135708;MM135708;CC(F)CC(F)C=CF;ZPDHEKQGWDPIAX-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135709;MM135709;CC=CC(F)CC(F)F;NOKITYHNZPIPGV-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135710;MM135710;FC=CC(F)CC(F)F;NXGLCEFQKLINDJ-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135711;MM135711;CCc1cn(O)c(C)n1;OCLFFLXNWBSYCQ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135712;MM135712;CC(F)CC(C)C=NO;BEEOSMVBTTXWJF-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135713;MM135713;CC(C=NN)CC(F)F;MCDFOXGWGBCLBN-UHFFFAOYSA-N;136.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135714;MM135714;CC(C=NO)CC(F)F;IRFGZHPOQPIOOY-UHFFFAOYSA-N;137.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135715;MM135715;N#CCn1ccc(N)n1;IJHPTDNLLKXCTL-UHFFFAOYSA-N;122.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135716;MM135716;C=C1CCC(=NO)N1C;QWEVGNZPGZZIHP-UHFFFAOYSA-N;126.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135717;MM135717;OCCC1CN1C=NO;UREASANCBXLVGA-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135718;MM135718;CCOC=CC(C#N)=NO;UKLCMTOGUTWAGO-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135719;MM135719;CC=CC(C)NC(C)C;RCMSYNLCNRIBBO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135720;MM135720;CC(C)NC(C)C=CF;LAJNHIAQKAYJMA-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135721;MM135721;CC=CC(C)OC(C)C;VNDVGHSWNIMYNA-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135722;MM135722;CC=CC(C)CN(C)C;QCVLSRDVZOWXOY-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135723;MM135723;CN(C)CC(N)C=CF;SAZVUILIAQIVEI-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135724;MM135724;CC(C=NO)CN(C)C;NEZSTVVYGSDNTR-UHFFFAOYSA-N;130.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135725;MM135725;CN(C)CC(O)C=NN;QGKAHHQXSNPMAR-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135726;MM135726;CN=CN(C)CC(C)C;BNFOUMBTGBLNCS-UHFFFAOYSA-N;128.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135727;MM135727;CC(C)CN(C)C=NN;YYKHEIBTSQPBEV-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135728;MM135728;CNC(C=O)C(=O)OC;ZEODYYPGJMEZTR-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135729;MM135729;CN=CN(C)CC(C)F;DPKHFLRWOIXMGP-UHFFFAOYSA-N;132.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135730;MM135730;CN=CN(N)CC(C)C;ONUNJUBPOMTXIK-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135731;MM135731;C=CC(C=O)NC=NO;MMFAABVVGYJFEL-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135732;MM135732;C=Cc1ncc(CO)[nH]1;UDLYTGIQEFRMFC-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135733;MM135733;CC(O)CN(O)C=NO;BXYBQWXLFNOVDX-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135734;MM135734;CC=NN(C)CC(C)F;IGUTZFPGYAOXHB-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135735;MM135735;C=C(C)CC(C)C=CC;ULWOWEUEIOGZML-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135736;MM135736;C=C(C)CC(C)C=CF;SVCUOLHJERCNSV-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135737;MM135737;CC=CC(C)CC(C)=O;PSTSQXUQBXJPIB-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135738;MM135738;CC=CC(C)CC(=N)N;AYUNJRNPWGEIPA-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135739;MM135739;CC(C=CF)CC(=N)N;GRWTWAHCBICXRS-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135740;MM135740;C=C1CCC(=NO)NC1;LWWMWZWJTZSHMR-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135741;MM135741;CC(C=CF)CC(N)=O;SISHXRIEHCBDJF-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135742;MM135742;CC=CC(C)CC(=O)O;VUJRXCTYDXMWKO-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135743;MM135743;CC(C=CF)CC(=O)O;TXZNJGOSVHGKJA-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135744;MM135744;C=C(C)CC(N)C=CC;OPSFHANSCHGCPP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135745;MM135745;C=C(C)CC(N)C=CF;GPMJHYJAGWNWAB-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135746;MM135746;N=C(N)CC(N)C=CF;HJCYHJNVKHMPKD-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135747;MM135747;CC=CC(N)CC(N)=O;RHBQHGRHDTYGMC-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135748;MM135748;NC(=O)CC(N)C=CF;IDGPHYHODOTZJU-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135749;MM135749;C=C(F)CC(N)C=CC;GAYVVRASYNRRNY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135750;MM135750;C=C(F)CC(N)C=CF;ATMUOJJJVWRNMW-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135751;MM135751;C=C1NC(=NO)CC1(C)C;XHSQPZHXBPHGLD-UHFFFAOYSA-N;140.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135752;MM135752;CC=CC(O)CC(=N)N;ICEGEZIGDWBSLT-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135753;MM135753;CC=CC(O)CC(N)=O;YQRZMZDJPGRYBU-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135754;MM135754;C=C(F)CC(O)C=CC;XTFOOEPBBMXYDR-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135755;MM135755;CC(=O)CC(F)C=CF;GFXCAAASAVEBRZ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135756;MM135756;CC=CC(F)CC(N)=O;VMYGKTXQULXJRL-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135757;MM135757;NC(=O)CC(F)C=CF;AFQSGTBWWNXFQJ-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135758;MM135758;CC=CC(F)CC(=O)O;XQVMQDITHFETNR-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135759;MM135759;C=C(C)CC(C)C=NO;ZSJMZJVXSXWSSY-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135760;MM135760;CC(C=NN)CC(=N)N;VFHCEKSIMLMRCH-UHFFFAOYSA-N;128.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135761;MM135761;CC(C=NO)CC(=N)N;DRUOAOMACPIRHL-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135762;MM135762;CC(F)=CCC(=N)NC=O;URIIRUQCLCZZGN-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135763;MM135763;CC(C=NO)CC(N)=O;SBCGZNGQEPNNNP-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135764;MM135764;C=C(C)CC(N)C=NO;PYVFEJIYGXIZSG-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135765;MM135765;N=C(N)CC(O)C=NN;LFLZQXFQQLCHBJ-UHFFFAOYSA-N;130.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135766;MM135766;C=C(F)CCNC(C)=NO;NVFMRMBAOUJSQC-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135767;MM135767;Cn1c(=NO)oc(=O)n1O;BYAOYSHQQRFQCS-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135768;MM135768;CC(F)(F)C(C#N)C=NO;KTBBJPVLKARSBR-UHFFFAOYSA-N;148.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135769;MM135769;CC=CC(C)NC(C)=N;SGHKNABDXVEBDH-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135770;MM135770;CC(=N)NC(C)C=CF;UEXUCHNAMCOJNV-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135771;MM135771;CN(C=NCC#N)NC=O;LFJIDSFNHXCCEB-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135772;MM135772;CC(=O)NC(C)C=CF;WOVGKSVCWLEGPH-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135773;MM135773;CC(=N)NC(C)C=NN;XEXNBPOHQZGWHT-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135774;MM135774;CC(=N)NC(C)C=NO;UMXDUBVLOUFDJZ-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135775;MM135775;C=CC(=C)NC(CC)=NO;JITBNWZAGVALNQ-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135776;MM135776;CC(=O)NC(C)C=NO;DVAXSAFPZDRRFE-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135777;MM135777;CC(C=CF)OC(=N)N;LRFAXLXOEIYRSU-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135778;MM135778;CC=CC(C)OC(N)=O;WFMNFZYDEJAYHA-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135779;MM135779;CC(C=CF)OC(N)=O;OYQATCLCPBMTLG-UHFFFAOYSA-N;133.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135780;MM135780;C=C(CF)C(O)C(=O)NN;HKIDTKMWFNSBEF-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135781;MM135781;C=C(C)CN(C)C=NC;FIBBBQQUBPDYSG-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135782;MM135782;C=C(C)CN(C)C=NN;AOFXUEDJHZHYOS-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135783;MM135783;NC(CCC=CC=O)=NO;MFKSTXUKRGKMBA-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135784;MM135784;CN=CN(C)CC(=N)N;MQCBLBJGYVPAPU-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135785;MM135785;N=C(N)CN(N)C=NN;DOXLEPOSOUHWQD-UHFFFAOYSA-N;130.16;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135786;MM135786;N=C(N)CN(N)C=NO;SCNJIFYHWAETCY-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135787;MM135787;CC#CC#CCC(=O)NN;VSIBWNCHHVWDKL-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135788;MM135788;Cn1oc(=NN)c(=O)n1O;JWQIDGDCVNCFIT-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135789;MM135789;ON=C(NO)NCC=CF;FPDUEJJFKSJHQE-UHFFFAOYSA-N;149.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135790;MM135790;C=C(C)CN(O)C=NO;HZXRCMFNFJLXRL-UHFFFAOYSA-N;130.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135791;MM135791;CN=CN(O)CC(=N)N;NDODJBRZHISKIQ-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135792;MM135792;N=C(N)CN(O)C=NN;QQIACWWCGUNDCQ-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135793;MM135793;N=C(N)CN(O)C=NO;IOJDKCNUKWGNDV-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135794;MM135794;CC=C1CCC(=NO)CC1;CXRRTHSEEIUATQ-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135795;MM135795;CCN=CNC=O;YGURTGORNFADOZ-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135796;MM135796;NC(=O)CN(O)C=NO;FIXJPCVYPHZMSK-UHFFFAOYSA-N;133.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135797;MM135797;COC(C)(C)C(CO)=NO;MJNARGXZVULKHM-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135798;MM135798;NN=c1on(O)c(=O)n1N;IAZGBRRRXCCYRB-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135799;MM135799;CNc1nc(F)c[nH]1;NERADGYETHKFKH-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135800;MM135800;C=C(F)CN(O)C=NO;VSHCVPZCTZIDFX-UHFFFAOYSA-N;134.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135801;MM135801;CC=NN(C)CC(=N)N;DIYLAZKKKZRGFN-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135802;MM135802;CC(C)CN=CNC=O;APVIOFYPXMEBMA-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135803;MM135803;Cc1c(F)n(N)c(=O)n1O;QHJHRRIXQSLWCS-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135804;MM135804;C=C(F)CN(C)N=CC;IKWAGXSDRVZZMQ-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135805;MM135805;CN=CN(C)NC(C)=O;SDKWZKQXECOTEC-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135806;MM135806;CN=CN(C)NC(=N)N;GXFCHVWWRKPSJJ-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135807;MM135807;CN(C=NN)NC(=N)N;POOZYKFYZORYLR-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135808;MM135808;CN(C=NO)NC(=N)N;FMPKNODHVIECNP-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135809;MM135809;C=CCC(=NO)N(C)C;OKGYKSNJBGZMIF-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135810;MM135810;CN(C=NO)NC(N)=O;QWURGGHWOCDLMB-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135811;MM135811;CN=CN(C)OC(C)=O;RLOWTUBCIFUKAP-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135812;MM135812;CC1=C(F)C(=N)N(O)C1;BPOOXVBKZGEDLW-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135813;MM135813;CC(=O)ON(C)C=NO;VXGCUEFXGKNTIO-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135814;MM135814;C=C(C=CC)CC(C)C;MARFIAPLEKEFNM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135815;MM135815;C=C(C=CC)CC(C)N;BMBLBMGNAQPORA-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135816;MM135816;C=Cc1cnc(O)n1N;JFSPGDSGDFLROI-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135817;MM135817;CCCCN=CNC=O;PSPQZGSTPOMONL-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135818;MM135818;C=C(C=CC)CC(C)F;CTRZYPPTZNKWNH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135819;MM135819;C=C(C=CF)CC(C)F;REFUJYFAIHVNQX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135820;MM135820;C=C(C=CC)CC(F)F;AAQLXEQEOMPVOD-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135821;MM135821;C=C(C=CF)CC(F)F;DGEDNSSDNNOBJQ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135822;MM135822;CC=CC(=O)CC(C)C;VJQKJGLHKJYTQM-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135823;MM135823;CC(C)CC(=O)C=CN;KYNUBTSFDACPGH-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135824;MM135824;CC(C)CC(=O)C=CF;HZQJSMJFXOCNOL-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135825;MM135825;CC=CC(=O)CC(C)O;URLFXTNOVJHWDW-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135826;MM135826;CC(O)CC(=O)C=CN;HSIDXVLIGKURCN-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135827;MM135827;CC(O)CC(=O)C=CF;BSMAUPWDVLEWCC-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135828;MM135828;CC=CC(=O)CC(C)F;VVFOPOJUPJYNBM-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135829;MM135829;NC=CC(=O)CC(F)F;BZKGJRRPLSHNQZ-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135830;MM135830;C=C(C=NO)CC(C)O;CFHZNRXDRUJAKF-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135831;MM135831;C=C(C=NN)CC(C)F;IHRLYEWNHURKOB-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135832;MM135832;C=C(C=NO)CC(C)F;KVZAERNLVNHXTG-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135833;MM135833;C=C(C=NN)CC(F)F;OIVJGUSJACZOCD-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135834;MM135834;C=C(C=NO)CC(F)F;ZMHYWLCMSIVCMZ-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135835;MM135835;CC=CC(=N)NC(C)C;KBEDTYISDWLZAM-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135836;MM135836;CC(C)NC(=N)C=CN;YGNLIXUEYSIKMF-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135837;MM135837;CC(C)NC(=N)C=CF;FTUCSHQCEOVTCS-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135838;MM135838;C=CCCN=CNC=O;HVQOUSNLGNVKLC-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135839;MM135839;CC(C)NC(=O)C=CF;UNXBEOSNWXTXDY-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135840;MM135840;C=C(C=CC)OC(C)C;XETOCDPNQLNNLP-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135841;MM135841;CC=CC(=O)OC(C)C;AABBHSMFGKYLKE-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135842;MM135842;CC(C)OC(=O)C=CF;SWDCCNKPSXTSQD-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135843;MM135843;C=C(C=CC)CN(C)C;GYUDNODKEJTIMS-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135844;MM135844;CC=CC(=N)NN(C)C;FYSKVADBPNAAPH-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135845;MM135845;CN(C)NC(=N)C=CN;GLLYWZNMCFYCHV-UHFFFAOYSA-N;128.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135846;MM135846;CN(C)NC(=N)C=CF;SKFSOAXVOZYXKS-UHFFFAOYSA-N;131.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135847;MM135847;O=CCCN=CNC=O;GBRGZRRJLXCKNH-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135848;MM135848;C=C(C)CC(=C)C=CC;CLUAZLOZDBAZOK-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135849;MM135849;C=C(C)CC(=C)C=CF;HWHGBVIFBJVSAN-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135850;MM135850;C=C(C=CF)CC(C)=O;SHFCLELLGSUXJF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135851;MM135851;C=C(C=CC)CC(=N)N;JRABCCGBMXLQKJ-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135852;MM135852;C=C(C=CC)CC(N)=O;CTPMTCFUOMIVPG-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135853;MM135853;C=C(C=CC)CC(=O)O;HCEALIDTHDCIKE-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135854;MM135854;C=C(C)CC(=O)C=CC;HRTZXWGIVVYRMW-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135855;MM135855;CC(=O)CC(=O)C=CN;QNGKGDNSBYCUSX-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135856;MM135856;N=C(N)CC(=O)C=CF;JFQYXZYJHOFWFK-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135857;MM135857;CC=CC(=O)CC(N)=O;FOKDOFFRBNYHRI-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135858;MM135858;NC(=O)CC(=O)C=CF;ZXTAYAINZMOGBH-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135859;MM135859;C=C(F)CC(=O)C=CC;SLMYNIQHBRRZOK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135860;MM135860;C=C(F)CC(=O)C=CN;FFYZFYNGRNXVCJ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135861;MM135861;C=C(C)CC(=C)C=NN;ANBJYZQRDMDTOJ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135862;MM135862;C=CC(O)(C#CC)C=NN;QWVOQHVGXIOBAQ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135863;MM135863;C=C(C=CC)NC(C)=N;FAWSPJJODASWFH-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135864;MM135864;C=C(C=CF)NC(C)=N;ZWJFOEOPPKHINO-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135865;MM135865;C=C(C=CC)NC(C)=O;JPPNXJPHWMOEIN-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135866;MM135866;C=C(C=CF)NC(=N)N;BPKXYEORMTXEIX-UHFFFAOYSA-N;129.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135867;MM135867;C=C(C)NC(=N)C=CC;LFZSSTSQJBOXHJ-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135868;MM135868;CC(=N)NC(=N)C=CN;SVLTVQPXDXBJEM-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135869;MM135869;CN(C)NC(=O)C(=N)NN;KIMCYSIOLCIRPD-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135870;MM135870;NNC(=O)C1CC(F)(F)C1;SCJLTXNQZYRZDG-UHFFFAOYSA-N;150.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135871;MM135871;C=C(C)NC(=O)C=CF;FHXFIWMYXNVDCH-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135872;MM135872;CC(=O)NC(=O)C=CN;MNRRCDXNIXSJKL-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135873;MM135873;N=C(N)NC(=O)C=CF;DQFHGSDKPVYLTM-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135874;MM135874;NC(=O)NC(=O)C=CF;DHKXVBDQDCOTAI-UHFFFAOYSA-N;132.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135875;MM135875;C=C(C=NO)NC(C)=O;XJSACDWDGRMCMC-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135876;MM135876;CC(=N)NC(=N)C=NN;MGYRWSHDWHCYGB-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135877;MM135877;CC(=N)NC(=N)C=NO;JTNLFRSOBXXPSV-UHFFFAOYSA-N;128.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135878;MM135878;CC(=O)NC(=N)C=NN;FAQXKRGVIFCYLJ-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135879;MM135879;N=C(N)NC(=N)C=NO;OBVXJUFWKMADIK-UHFFFAOYSA-N;129.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135880;MM135880;N=C(C=NN)NC(N)=O;REYQIWRDOJILSD-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135881;MM135881;N=C(C=NO)NC(N)=O;OKXITMFRQJYSQQ-UHFFFAOYSA-N;130.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135882;MM135882;C=C(C)CCN=CNC=O;QGFRYIWDDHHODF-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135883;MM135883;N=C(N)NC(=O)C=NN;UZVAGBLOVBRIER-UHFFFAOYSA-N;129.12;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135884;MM135884;NN=CC(=O)NC(N)=O;NLELTOUNKJSYFF-UHFFFAOYSA-N;130.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135885;MM135885;C=C(C)OC(=O)C=CC;TXBKCWBFBFNSCU-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135886;MM135886;C=C(C)OC(=C)C=NN;NCYWCIDBRYBLJD-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135887;MM135887;C=C(C=NN)OC(C)=O;AWMVQUVSEOCOTF-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135888;MM135888;C=C(C=NO)OC(C)=O;KRIWXESSXMODOB-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135889;MM135889;CC#CC(C)CC(C)C;ZMKCSOCSKCFNGX-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135890;MM135890;CC#CC(C)CC(C)N;ZLRLODHOFRZHSS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135891;MM135891;C=NNC(=O)CC=NOC;UOQQUEDPZCDRME-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135892;MM135892;CC#CC(C)CC(C)F;ULCACIXWMIZASP-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135893;MM135893;CC#CC(C)CC(F)F;CNUVQVMUNWFEMC-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135894;MM135894;CC#CC(N)CC(C)C;LAPAFAZWIAVPDR-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135895;MM135895;CC#CC(O)CC(C)C;QFIGXPMFVPAVTK-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135896;MM135896;CC#CC(O)CC(C)F;MORVFYCVAFMWRL-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135897;MM135897;CC#CC(O)CC(F)F;ILJQWVAWFNIDAT-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135898;MM135898;CC#CC(F)CC(C)C;UCEIAHBIEASSJS-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135899;MM135899;CC#CC(F)CC(C)N;CPQXLYNHSBRSKS-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135900;MM135900;CC#CC(F)CC(C)F;JZERLZQUVIYOJE-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135901;MM135901;CC#CC(F)CC(F)F;ZNWZZTWMCMDTQO-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135902;MM135902;CC#CC(C)NC(C)C;JGVGJFFZTWXXSE-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135903;MM135903;CC#CC(C)OC(C)C;SOCVZMBVBBTCFS-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135904;MM135904;CC#CC(C)CN(C)C;HHOGNHOIVFZCNT-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135905;MM135905;CC#CC(N)CN(C)C;VRRTXMBXRMELNK-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135906;MM135906;CC#CC(O)CN(C)C;AHZQYCBQZSWMII-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135907;MM135907;C=C(C)CC(C)C#CC;KCWRSWXXXVISJC-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135908;MM135908;CC#CC(C)CC(C)=O;VATCZJODGNTBTK-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135909;MM135909;CC#CC(C)CC(N)=O;LDQZUIYECCMDNX-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135910;MM135910;CC#CC(C)CC(=O)O;KYULHDSRFDWNGC-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135911;MM135911;C=C(F)CC(C)C#CC;ACUJGQGTTONNBH-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135912;MM135912;C=C(C)CC(N)C#CC;DCTSSDKNHRJOGL-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135913;MM135913;C=C(F)CC(N)C#CC;PKVHJHJOGCVGGS-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135914;MM135914;C=C(C)CC(O)C#CC;KWXMECIFOOFBQJ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135915;MM135915;CC#CC(O)CC(N)=O;NPBMJRBYNKVYKW-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135916;MM135916;C=C(F)CC(O)C#CC;ACYBZYUJHNWLLC-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135917;MM135917;C=C(C)CC(F)C#CC;GJMGALASDBLLLE-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135918;MM135918;CC#CC(F)CC(C)=O;UTKNCKGHYYSYIY-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135919;MM135919;CC#CC(F)CC(=O)O;AOOIRIHRCFFMAS-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135920;MM135920;C=C(F)CC(F)C#CC;YYVFZVNDIJMGPD-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135921;MM135921;C=C(C)OC(C)C#CC;CMFQYLHKSHAJIL-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135922;MM135922;CC#CC(C)OC(C)=O;YIUDCVHOVPHGCV-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135923;MM135923;CC#CC(C)OC(N)=O;OBJCSLTXZCCDES-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135924;MM135924;C=C(C#CC)CC(C)C;WSQREAFFZLCBKZ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135925;MM135925;C=C(C#CC)CC(C)N;JYYHPADLOJOCOZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135926;MM135926;C=CC(CC(C)CC)=NO;NCHSMJGMNUQFBR-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135927;MM135927;C=C(C#CC)CC(C)F;WKTFNRQZCLLWAL-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135928;MM135928;C=C(C#CC)CC(F)F;UVTOFDBMZNSCNF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135929;MM135929;CC#CC(=O)CC(C)C;AKNLEQRXVYPWHR-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135930;MM135930;CC#CC(=O)CC(C)F;AIJIJRQZUMXRFI-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135931;MM135931;CC#CC(=O)CC(F)F;PXCXHXZIVLAXLM-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135932;MM135932;C=C(C#CC)OC(C)C;TVCJIBOWAGATJJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135933;MM135933;CC#CC(=O)OC(C)C;QNJZCZYIIHIUFH-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135934;MM135934;CC#CC(=O)CN(C)C;ZWDJKSBSXQIDMA-UHFFFAOYSA-N;125.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135935;MM135935;C=C(C)CC(=C)C#CC;OKGJVXZMAJOULN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135936;MM135936;C=C(C#CC)CC(C)=O;GGRXNDPGSPSZMD-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135937;MM135937;C=C(C#CC)CC(=N)N;ZYGOKKGEJARNLR-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135938;MM135938;C=C(C#CC)CC(=O)O;GNOFKGTWAFFJFQ-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135939;MM135939;C=C(F)CC(=C)C#CC;VMTPIWYPLXPPDD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135940;MM135940;C=C(C)CC(=O)C#CC;KKJHHZKLTKQOIG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135941;MM135941;C=C(F)CC(=O)C#CC;URHFZVVCDCIONB-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135942;MM135942;C=C(C#CC)NC(C)=N;WTFHMXKLZINIKG-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135943;MM135943;C=C(C#CC)NC(C)=O;KOZMJRNCPZFMTE-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135944;MM135944;C=C(C#CC)NC(N)=O;JNWCVLBUBAWUPA-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135945;MM135945;C=C(C)NC(=N)C#CC;CCMGJDWCZAJDCP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135946;MM135946;C=C(C)NC(=O)C#CC;JYEXMCUIOTUWIL-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135947;MM135947;CC#CC(=O)NC(C)=O;SAWZRTDOEKWKOL-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135948;MM135948;CC#CC(=O)NC(=N)N;ORRQNEDDTJCSLL-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135949;MM135949;CC#CC(=O)NC(N)=O;BBJFQDPQHWVKBS-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135950;MM135950;C=C(C)OC(=C)C#CC;BQIXIVOUWFEOTF-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135951;MM135951;C=C(C#CC)OC(C)=O;QLYRFYYHVVWIQU-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135952;MM135952;C=C(C)OC(=O)C#CC;CTXYQOIQKJLYJU-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135953;MM135953;CCC=C(C)CC(C)C;FALJCIDAIJRLIF-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135954;MM135954;CC(=CCN)CC(C)C;MGMCBSPHZKJLKJ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135955;MM135955;CCC=C(C)CC(C)N;OMYWUPMNRCIRAX-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135956;MM135956;CC(=CCN)CC(C)O;AILSATXTFLHAQP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135957;MM135957;CC(=CCO)CC(C)O;ZJRRUQIKXFQGCV-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135958;MM135958;CCC=C(C)CC(C)F;PKNXRNWHFOOTQU-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135959;MM135959;CC(=CCN)CC(F)F;IIKHLTRXCOHOQF-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135960;MM135960;CC(=CCF)CC(F)F;DLLPPEHPSQQOPB-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135961;MM135961;CC(C)CC(F)=CCN;HOUDKEYTEYAZPW-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135962;MM135962;CC(N)CC(F)=CCN;FWOYDTRAPGDNFZ-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135963;MM135963;CC(F)CC(F)=CCO;DPOKSWFEAFOEGV-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135964;MM135964;COC=C(C)CC(C)N;GFWZXAUTMWCNJY-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135965;MM135965;COC=C(C)CC(C)O;ZYEBVSTWQUYSOR-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135966;MM135966;COC=C(F)CC(C)N;JSYWBGLEBANVHH-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135967;MM135967;COC=C(F)CC(C)O;JGWPQSRQCSMKCZ-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135968;MM135968;COC=C(F)CC(C)F;CKPXYMWCCFJIQF-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135969;MM135969;COC=C(F)CC(F)F;GKMOKMJCEACTMG-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135970;MM135970;CNN=C(C)CC(C)C;BLUYUDBSLLIIRG-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135971;MM135971;C=CC(C)CN=CNC=O;WGWJDOXEIURJBX-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135972;MM135972;CON=C(C)CC(C)F;LNVSAKMWBAUAJZ-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135973;MM135973;CON=C(C)CC(F)F;FEKGGJKXRIUFMD-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135974;MM135974;CC(=CCN)OC(C)C;RDZUMDQFWQYFGC-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135975;MM135975;COC=C(C)OC(C)C;LRLXATDRWUFFTP-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135976;MM135976;CON=C(C)OC(C)C;XPCAQAJDNPWJHM-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135977;MM135977;CC(=CCF)CN(C)C;MKUUSDWUSGOCLA-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135978;MM135978;CON=C(C)NN(C)C;DLGLKLQBRAKOMN-UHFFFAOYSA-N;131.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135979;MM135979;C=CC=C(C)CC(C)C;AMTRQGLRZJHBGC-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135980;MM135980;CC(=CC#N)CC(C)C;KMZKRGSNSZTFDC-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135981;MM135981;C=CC=C(C)CC(C)N;FMSYYOOWAQULMU-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135982;MM135982;CNC(CC#N)C(O)C#N;KMUWSTGHYUZXOK-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135983;MM135983;NNC(=O)C(CF)CCF;DPAUDRNTBPUDKT-UHFFFAOYSA-N;152.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135984;MM135984;C=CC=C(C)CC(C)F;HLZCNOYBTCMVTL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135985;MM135985;CC(=CC=O)CC(C)F;VBOOECLBIBWTIL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135986;MM135986;CC(=CC#N)CC(C)F;IPGJAJMOMUHKHQ-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135987;MM135987;C=CC=C(C)CC(F)F;VXZGMQLXRJILEY-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135988;MM135988;CC(=CC=O)CC(F)F;OWQBVQRHOORYQA-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135989;MM135989;CC(=CC#N)CC(F)F;ARDCIVAPOHSLAZ-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135990;MM135990;CC(C)CC(N)=CC=O;QVCPAUZOUABNIX-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135991;MM135991;CC(F)CC(N)=CC=O;ODQKVVMENQTDMZ-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135992;MM135992;NC(=CC=O)CC(F)F;GDODJSCPGJWKOS-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135993;MM135993;N#CC=C(N)CC(F)F;RRDVOHXQROIFFI-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135994;MM135994;C=CC=C(F)CC(C)C;LPOKMDIGQRWDKO-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135995;MM135995;CC(C)CC(F)=CC#N;VIUFJXQIRRVISI-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135996;MM135996;C=CC=C(F)CC(C)N;VYUNRMICBAVGEN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135997;MM135997;CC(O)CC(F)=CC#N;AYKMATUVUKPVKQ-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135998;MM135998;C=CC=C(F)CC(F)F;AJVRKVITVOBJSH-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM135999;MM135999;C=NN=C(C)CC(C)N;BHAPDYBTUUFOKR-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136000;MM136000;C=NN=C(C)CC(C)O;WDZUDOVMPYJICY-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136001;MM136001;C=NN=C(C)CC(F)F;MHIZNAZYIKACSY-UHFFFAOYSA-N;134.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136002;MM136002;CC(=CC=O)NC(C)C;NKJQSPMFPMUWNP-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136003;MM136003;CC(C)NC(N)=CC=O;DXTNSYARAUYDRM-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136004;MM136004;CC(=NC(C)C)NC=N;LMOOKOZNCJHDGW-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136005;MM136005;NC=CC(CF)=NNC=O;ZITMOHHPJSOHNZ-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136006;MM136006;C=CC=C(C)OC(C)C;QNPCJTMIPXFXDE-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136007;MM136007;CC(=CC#N)OC(C)C;GKCOEELJSTYDGA-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136008;MM136008;CC(C)OC(N)=CC=O;SSQWINHKBGHNEL-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136009;MM136009;C=NN=C(C)OC(C)C;HCAAGUSHYCLZGC-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136010;MM136010;CN(C)CC(F)=CC#N;ZKUVERLZRMFCBA-UHFFFAOYSA-N;128.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136011;MM136011;CC(=NN(C)C)NC=N;WHYGSULZYGZDAO-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136012;MM136012;CC(=NN(C)C)NC=O;PRAAULCDRPMQBB-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136013;MM136013;C#CC=C(C)CC(C)C;IWCXTUYSTGZXJL-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136014;MM136014;C#CC=C(C)CC(C)N;ZQAYUTVATPXTKV-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136015;MM136015;C=C1CCC(=NO)C=C1N;DKLFXJSHKDBAKR-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136016;MM136016;C#CC=C(C)CC(C)F;VLCKMBYPFXTLME-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136017;MM136017;C#CC=C(C)CC(F)F;MMTUXGLZJPKITB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136018;MM136018;C#CC=C(F)CC(C)C;AYVHCWPDWAOSTI-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136019;MM136019;C#CC=C(F)CC(C)N;KSXXEKNLKKELEH-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136020;MM136020;C#CC=C(F)CC(C)O;RXVHTUFPRQETRC-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136021;MM136021;C#CC=C(C)OC(C)C;BJVRYVCXPODFSG-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136022;MM136022;C#CC=C(C)CN(C)C;AUROWLNLHLCIGC-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136023;MM136023;C=C(C)CC(C)=CCC;CDIIKVHWZLHXMB-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136024;MM136024;C=C(C)CC(C)=CCN;JACSJYXIVRUPOR-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136025;MM136025;CCC=C(C)CC(C)=O;LTSSKSVFKUZJSD-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136026;MM136026;CC(=O)CC(C)=CCF;DNWNAPVBRUTMAT-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136027;MM136027;CCC=C(C)CC(=N)N;ZGOOIMIOCQZQMF-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136028;MM136028;CC(=CCF)CC(=N)N;UGWMXOQVVQRKKD-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136029;MM136029;CC=CC1=CCC(=NO)N1;PIRCZDIBBUVXID-UHFFFAOYSA-N;138.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136030;MM136030;CC(=CCN)CC(N)=O;BCEMHNQDYURWKR-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136031;MM136031;Nn1c(CO)nn(O)c1=O;WBKMISKQDBKJSP-UHFFFAOYSA-N;146.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136032;MM136032;CC(=CCF)CC(=O)O;CNOZWLBJNXOQOF-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136033;MM136033;C=C(F)CC(C)=CCN;FWLWUXGTDVHUFF-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136034;MM136034;C=C(C)CC(F)=CCN;RRSDSJHACIHUNG-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136035;MM136035;N=C(N)CC(F)=CCN;JOAXDJSVHWVCFM-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136036;MM136036;NCC=C(F)CC(N)=O;BKPNMNIQQRRDMQ-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136037;MM136037;NC(=O)CC(F)=CCF;PYLAAZHANJMYBU-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136038;MM136038;O=C(O)CC(F)=CCF;IFPAWDUVLSUPIG-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136039;MM136039;C=C(F)CC(F)=CCN;LGPJMVJDYJARDQ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136040;MM136040;COC=C(C)CC(C)=O;ZKHASWSMOOHNMF-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136041;MM136041;C=Cc1nn(O)c(=O)n1N;JWVNKHUIQHLABZ-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136042;MM136042;C=C(F)CC(F)=COC;ZSQIQAPXRVQVHS-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136043;MM136043;CNN=C(C)CC(=N)N;CCPIANXINJIYSC-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136044;MM136044;C=C(C)CC(C)=NOC;DZEQRNPNVCCCHY-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136045;MM136045;CCCCCN=CNC=O;YDQHXNYWVCLEFU-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136046;MM136046;CON=C(C)CC(=N)N;WDZLDIGBMCOUGR-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136047;MM136047;C=CCCCN=CNC=O;WJCVOPUDLQHNGZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136048;MM136048;Nn1c(=O)cnc(=O)n1O;RDRWJKYBVRQYPX-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136049;MM136049;C#CCCCN=CNC=O;IZNCUADOOGIKHP-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136050;MM136050;CCC=C(C)NC(C)=N;UIMPCYHPHAQVMX-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136051;MM136051;CC(=N)NC(C)=CCF;WXMUFSWKUZISIN-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136052;MM136052;CCC=C(C)NC(C)=O;QHBMTBYIXZUBON-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136053;MM136053;CC(=O)NC(C)=CCN;CTIZZMMRXWAFKC-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136054;MM136054;CC(=O)NC(C)=CCF;LVIISXAIVKKXDG-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136055;MM136055;CCC=C(C)NC(=N)N;XNUUAVFYPALGLL-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136056;MM136056;CC(=CCN)NC(=N)N;IVUMPVOQIDQBCI-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136057;MM136057;CC(=CCO)NC(=N)N;VSRIMVWRCIKCSL-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136058;MM136058;CC(=CCF)NC(=N)N;ASPXEZXALHIUMK-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136059;MM136059;CC(=CCN)NC(N)=O;VDPFITJBJCBURF-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136060;MM136060;CC(=CCO)NC(N)=O;AIEFHXSYKSFRNR-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136061;MM136061;COC=C(C)NC(N)=O;SWLZMAORONEAJQ-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136062;MM136062;C=C(C)NC(C)=NCC;YISACFDYGWAHNF-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136063;MM136063;CCN=C(C)NC(C)=N;QRBAYYUYGBESPT-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136064;MM136064;C=CC(CCC)=NO;IASJILDAHOUCFO-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136065;MM136065;N#Cc1c[nH]c(N)n1;CBCSYXRYPIUWPZ-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136066;MM136066;CNN=C(C)NC(C)=N;JYIJRHYEVANIFV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136067;MM136067;CNN=C(C)NC(=N)N;IAGHRMLVWAKHNQ-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136068;MM136068;CNN=C(C)NC(N)=O;ZUVZACHKENLDAA-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136069;MM136069;CON=C(C)NC(C)=N;AZPVYLCNZYVACD-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136070;MM136070;CON=C(C)NC(C)=O;WQXBLGNKKKOOGW-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136071;MM136071;CON=C(C)NC(=N)N;SPFLJAALFLBHPB-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136072;MM136072;C=C(C)OC(C)=CCC;KCKAHRPFKVDXGC-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136073;MM136073;C=C(C)OC(C)=CCN;VPMNEOOOYRZRMO-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136074;MM136074;C=C(C)OC(C)=CCO;GLADZENSFAKVTI-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136075;MM136075;CCC=C(C)OC(C)=O;DXJINJKWFDGAAX-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136076;MM136076;CC(=O)OC(C)=CCF;JLPWWPQBHAWYEU-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136077;MM136077;C=C(C)OC(C)=COC;ASTAATUDURXEEU-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136078;MM136078;COC=C(C)OC(C)=O;CATOQSWTCPBFOR-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136079;MM136079;C=C(C)OC(C)=NOC;SJGUHKHBTVUESV-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136080;MM136080;CON=C(C)OC(N)=O;WDYVRVGRBDUXDM-UHFFFAOYSA-N;132.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136081;MM136081;C=CC=C(C)CC(=C)C;FPNFINBJZOZBHD-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136082;MM136082;C=C(C)CC(C)=CC#N;SUZRZHOARJGWSY-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136083;MM136083;NNC(=O)COC(N)=O;ADCSJFMUSATHCO-UHFFFAOYSA-N;133.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136084;MM136084;CC(=CC=O)CC(N)=O;AEGWWOCJVBKEBH-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136085;MM136085;C=CC=C(C)CC(=O)O;ZHMQWHTULFWSIS-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136086;MM136086;Cc1c(O)n(N)c(=O)n1O;SWPUCVXPDNUFNL-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136087;MM136087;CC(=CC#N)CC(=O)O;RRQIWASFBOADRQ-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136088;MM136088;C=CC=C(C)CC(=C)F;HXERIXCHIMULGX-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136089;MM136089;C=C(F)CC(C)=CC=O;ONFAAWPORBZJHG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136090;MM136090;C=C(F)CC(C)=CC#N;DXAZHQDHQXUDFJ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136091;MM136091;C=C(C)CC(N)=CC=O;BSXVZMXTHQQWQJ-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136092;MM136092;C=C(C)CC(N)=CC#N;NOBWRCXFOBKXBW-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136093;MM136093;N=C(N)CC(N)=CC=O;FSMWZHXGVPGSIG-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136094;MM136094;N#CC=C(N)CC(=N)N;ADVAFTIBKOQDLL-UHFFFAOYSA-N;124.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136095;MM136095;NC(=O)CC(N)=CC=O;GJRZKHOHGQPZGP-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136096;MM136096;C=NNC(=O)CC=NN;IKVWKURZPIXLGB-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136097;MM136097;C=C(F)CC(N)=CC#N;WCGFHLGPROOIPH-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136098;MM136098;C=C(C)CC(F)=CC=O;HQFGOPIMQARIPM-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136099;MM136099;C=CC=C(F)CC(C)=O;HGZCUDPGDZPGFN-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136100;MM136100;C=CC=C(F)CC(=N)N;HUWHHHLRILTIKJ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136101;MM136101;C=CC=C(F)CC(N)=O;BPJSVQOSGPBRSK-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136102;MM136102;NC(=O)CC(F)=CC=O;ZQZBCALJXLKVCS-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136103;MM136103;C=CC=C(F)CC(=O)O;SMGKXEGQVKXIQY-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136104;MM136104;N#CC=C(F)CC(=O)O;MSLDVCIASONLIM-UHFFFAOYSA-N;129.09;0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136105;MM136105;CC=NNC(=O)C(C)C;SMJQPMRCTXFTCV-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136106;MM136106;C=NN=C(C)CC(=C)F;DXAQXPILZHJOPA-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136107;MM136107;C=CC=C(C)NC(C)=N;BZPMTJUDCUVVRU-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136108;MM136108;C=CC=C(C)NC(=N)N;OCOUINPVHFPGEN-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136109;MM136109;CC(=CC=O)NC(=N)N;XGTPABWWTVCQDS-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136110;MM136110;CC(=N)NC(N)=CC=O;OJJOXAJNZAXKHS-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136111;MM136111;NC(=O)NC(N)=CC=O;FBGIKNWMFOUMCM-UHFFFAOYSA-N;129.12;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136112;MM136112;C=CC(C)C(=O)NN=C;YECBIGQMTBFSRK-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136113;MM136113;CC(=N)NC(C)=NC=N;YWMHPZKXXCKYQT-UHFFFAOYSA-N;126.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136114;MM136114;CC(=O)N=C(C)NC=O;GNLODUHKUFOJNJ-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136115;MM136115;CC(=NC(=N)N)NC=N;WPBNGUOZSTURMA-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136116;MM136116;CC(=NC(=N)N)NC=O;XUWQPYXQRCNOKC-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136117;MM136117;CC=C1CCC(=NO)N1;JUPHBAJQPSJHNU-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136118;MM136118;CC(=NC=O)NC(N)=O;CCTSJACTOOHTSG-UHFFFAOYSA-N;129.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136119;MM136119;C=NN=C(C)NC(C)=O;XEMHOHOYWPFUPJ-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136120;MM136120;C=NN=C(C)NC(=N)N;RBOSAJZZZHRDMT-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136121;MM136121;C=CC=C(C)OC(=C)C;DPKBFPKHAXSEQF-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136122;MM136122;C=C(C)OC(C)=CC=O;UZUHZPKWYIORFD-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136123;MM136123;C=C(C)OC(C)=CC#N;PAIXBNOLXRCMCZ-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136124;MM136124;C=CC=C(C)OC(C)=O;OCGBXMGDMUAWJE-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136125;MM136125;C=C(C)OC(N)=CC#N;IOPLSIAQRMMFPA-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136126;MM136126;CC(=O)OC(N)=CC=O;LIVSQTCEEIADCE-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136127;MM136127;C=NN=C(C)OC(=C)C;WPLQMQIWZNFJDW-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136128;MM136128;C=NN=C(C)OC(C)=O;VAWRFFDSFMVZBV-UHFFFAOYSA-N;128.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136129;MM136129;C=NN=C(C)OC(N)=O;NNYCQBUDJYVJSQ-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136130;MM136130;C#CC=C(C)CC(=C)C;BJNIXUPBUZFSPR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136131;MM136131;C#CC=C(C)CC(C)=O;MCGZGVKFBBIMQK-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136132;MM136132;C#CC=C(C)CC(N)=O;SUDVEUDFDBBHSI-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136133;MM136133;C#CC=C(C)CC(=O)O;YLKCWERCHPAXEW-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136134;MM136134;C#CC=C(C)CC(=C)F;HCRLYQAFRYPEBV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136135;MM136135;C#CC=C(F)CC(=O)O;VITPUWAVSSANIX-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136136;MM136136;C#CC=C(C)NC(C)=N;SVKUQPLALJVKQA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136137;MM136137;C#CC=C(C)NC(C)=O;JGYXWXSSIJZEFI-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136138;MM136138;C#CC=C(C)OC(=C)C;HOCNCCXCBQPGGX-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136139;MM136139;CCCC(C)C=C(C)C;LJCMMOJGGBTOFK-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136140;MM136140;C=C(C(O)C#N)C1CN1;ITCPYAXJHGNJDU-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136141;MM136141;CC(C=C(F)F)CCN;UYVOOPNTOASPMR-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136142;MM136142;C=NNC(=O)CC(C)=NN;OJRQXNYQNGWGRJ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136143;MM136143;CC(C=C(F)F)CCF;YVCFNVKLRGUNOF-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136144;MM136144;CCCC(N)C=C(C)C;GGQOPKMCQSSGMC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136145;MM136145;CC(C)=CC(N)CCF;HRWJOEQYHIHGGP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136146;MM136146;CCCC(N)C=C(C)F;NXNYLYZJNQTVKV-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136147;MM136147;CC(F)=CC(N)CCN;KWLZFXSBUPOFKR-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136148;MM136148;CC(F)=CC(N)CCF;ADVSCTYWDRBLGD-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136149;MM136149;CCCC(N)C=C(F)F;ISEUERDNGUJXDY-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136150;MM136150;CC(C)=CC(O)CCN;XYNOCVGRWJEDJA-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136151;MM136151;CC(C)=CC(O)CCO;MXLZFVGOKXSVPJ-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136152;MM136152;CCCC(O)C=C(C)F;FZSNFGCPPCQDQH-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136153;MM136153;OCCC(O)C=C(F)F;RVDCIWLMGAAFDR-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136154;MM136154;CC(C)=CC(F)CCN;QBOHTKZYPLMMGR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136155;MM136155;CC(C)=CC(F)CCO;CJLGCBFLNDHJRR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136156;MM136156;CC(C)=CC(F)CCF;VJXBHLKHOOGHGZ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136157;MM136157;CC(F)=CC(F)CCN;UJPYSGTWHSTCMM-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136158;MM136158;CC(F)=CC(F)CCF;QTYKGGNANXLUMW-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136159;MM136159;NCCC(F)C=C(F)F;POLDDCNHHCBJQJ-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136160;MM136160;FCCC(F)C=C(F)F;WAMLTAPXJLXXLR-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136161;MM136161;CNCC(C)C=C(F)F;NKXNIVCZFYHRHE-UHFFFAOYSA-N;135.16;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136162;MM136162;CNCC(N)C=C(C)F;IKUFUZLWBUAQEB-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136163;MM136163;CNCC(F)C=C(C)F;RYUYRXYFFZWQRH-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136164;MM136164;COCC(N)C=C(C)F;NIXNGTCBVQQAGP-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136165;MM136165;COCC(O)C=C(F)F;BWTJZELUGZZLQN-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136166;MM136166;CCNC(C)C=C(C)C;WXFQKDFKKLCILT-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136167;MM136167;CCNC(C)C=C(C)F;HFYJUBLFFQJJQQ-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136168;MM136168;CCCN(C)N=C(C)C;USVRBAXWQJWCEL-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136169;MM136169;CC(C)=CC(C)CC=O;SYPNRZZMJLKBPV-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136170;MM136170;CC(C)=CC(C)CC#N;WIBWFGOXKZMKJS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136171;MM136171;CC(F)=CC(C)CC=O;JKCCQSMAOJHLLL-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136172;MM136172;CC(F)=CC(C)CC#N;LUVRZFGTTRGVFL-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136173;MM136173;C=CCC(C)C=C(F)F;HLJYKNXUBPNVOL-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136174;MM136174;CC(C=C(F)F)CC=O;BLJOQSGBIIRZDE-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136175;MM136175;C=CCC(N)C=C(C)C;LRUALARWMDZQEE-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136176;MM136176;C=CCC(N)C=C(C)F;ZRUUFGZJYKSNLO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136177;MM136177;CC(C)=CC(O)CC#N;GVZQKQVWEAVYBM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136178;MM136178;CC(F)=CC(O)CC#N;WSYHYPBORIBETB-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136179;MM136179;N#CCC(O)C=C(F)F;XVUWEGGSGXYDOY-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136180;MM136180;C=CCC(F)C=C(C)C;AKMNPZRLVAGZSH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136181;MM136181;CC(C)=CC(F)CC=O;HWWWESPKIAVLSW-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136182;MM136182;C=CCC(F)C=C(C)F;AUXHZIMRAWSHCE-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136183;MM136183;CC(F)=CC(F)CC=O;ATPXQVHDRUVZAS-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136184;MM136184;C=CCC(F)C=C(F)F;WLQRPWGJEDKFLX-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136185;MM136185;O=CCC(F)C=C(F)F;AWQVIHMBGHFEAO-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136186;MM136186;N#CCC(F)C=C(F)F;WUWXDKYVGJSPIT-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136187;MM136187;CNNC(=O)C(O)CC=O;BKKXDZJVFQTLGH-UHFFFAOYSA-N;146.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136188;MM136188;CC(C=C(F)F)NC=N;HLYARIUZDUAJMJ-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136189;MM136189;C=NNC(C)C=C(F)F;YCWGYQXYPUFCDT-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136190;MM136190;C=COC(C)C=C(C)C;QQXMGSVBGXPJOY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136191;MM136191;C=COC(C)C=C(C)F;ASCIOEYWSAHRHW-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136192;MM136192;C=COC(C)C=C(F)F;BTAFOTUBSQPLJN-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136193;MM136193;CC(C=C(F)F)OC=O;AJVPBNWRGHZIAH-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136194;MM136194;C=NOC(C)C=C(F)F;MXAOUFLPOPFOJV-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136195;MM136195;C#CCC(C)C=C(C)C;AEEQEYATMBMHSJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136196;MM136196;C#CCC(C)C=C(C)F;STURZPUPHFVPTQ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136197;MM136197;C#CCC(O)C=C(C)F;ZATOOFAFCJODPZ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136198;MM136198;C#CCC(F)C=C(F)F;QQWPKSUFODLLFJ-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136199;MM136199;C#CCN(C)N=C(C)C;DACHQBBVFBDBSA-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136200;MM136200;C=C(C=C(C)C)CCN;AHYHNBGAFDSSLT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136201;MM136201;C=COC1CN(C=NO)C1;DAJLGTKKSBHGIH-UHFFFAOYSA-N;142.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136202;MM136202;C=C(C=C(C)F)CCC;LPYTUBNIICZLSV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136203;MM136203;C=C(C=C(C)F)CCN;PWIVADMXADPXFE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136204;MM136204;C=C(C=C(C)F)CCF;GGNQEVQISRSTJD-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136205;MM136205;C=C(C=C(F)F)CCN;JKUCECBKGMILBX-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136206;MM136206;C=C(C=C(F)F)CCF;AKPGBPBRLUPZHG-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136207;MM136207;CCCC(=O)C=C(C)C;FKMGZMDLSNOJPQ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136208;MM136208;CCCC(=O)C=C(C)N;BGONXEWVJNGIOF-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136209;MM136209;CCCC(=O)C=C(C)F;ZNIYVWCYXGEXCN-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136210;MM136210;CC(F)=CC(=O)CCF;XTANUYTTYAVUHM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136211;MM136211;CNC(=NO)OCC(C)C;UTYJYRVOQAYRBO-UHFFFAOYSA-N;146.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136212;MM136212;CCCC(=O)C=C(F)F;PTBQDOCKCGANJC-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136213;MM136213;O=C(C=C(F)F)CCF;SEXQYSFXSCCXJW-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136214;MM136214;C=C(C=C(F)F)CNC;BBZGSDNQEAIWJM-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136215;MM136215;CNCC(=O)C=C(F)F;BNPILJIMCNWPMS-UHFFFAOYSA-N;135.11;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136216;MM136216;COCC(=O)C=C(C)F;KIWINAVUISBCQZ-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136217;MM136217;CCNC(=N)C=C(C)C;MEPCUGKHRKOIOR-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136218;MM136218;CCNC(=N)C=C(C)N;QCRFLASBQYTVSG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136219;MM136219;CCNC(=N)C=C(C)F;OWDJZIMIONDKPK-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136220;MM136220;CCNC(=N)C=C(F)F;IAXJYXUAHLVIKQ-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136221;MM136221;NNC(=NO)NNC(N)=O;IQLWNVTXUJLPPG-UHFFFAOYSA-N;148.13;-2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136222;MM136222;CCNC(=O)C=C(C)F;CMEJYVUFBUCWIL-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136223;MM136223;NC=CC(CO)=NNC=O;WMJOXXNEDYPPJW-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136224;MM136224;CNNC(=N)C=C(C)C;HMDYHWIHHUOKTO-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136225;MM136225;C=CC(=NNC=O)C(=C)C;ZGTGVSAPQDBMLF-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136226;MM136226;CONC(=O)C=C(N)N;GFFGIDIBXKDUBC-UHFFFAOYSA-N;131.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136227;MM136227;CCOC(=O)C=C(C)C;UTXVCHVLDOLVPC-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136228;MM136228;CCOC(=O)C=C(C)N;YPMPTULBFPFSEQ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136229;MM136229;CCOC(=O)C=C(N)N;OTXUVKAMHLAIAS-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136230;MM136230;CCOC(=O)C=C(F)F;OVWPYWYSMMACBA-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136231;MM136231;C=CCC(=C)C=C(C)C;APYKTSKQQRJTGZ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136232;MM136232;C=C(C=C(C)C)CC=O;AUXKSQBXOLVJFM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136233;MM136233;C=C(C=C(C)C)CC#N;RSGGBEKKXLBNEV-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136234;MM136234;C=CCC(=C)C=C(C)F;ZMYDDQDGLRWSIB-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136235;MM136235;C=C(C=C(C)F)CC=O;NHKDLPXYQAPSQY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136236;MM136236;C=C(C=C(F)F)CC=O;QWUFZYBYWGDGKQ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136237;MM136237;C=C(C=C(F)F)CC#N;PHPSLEZYDMVMEB-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136238;MM136238;C=CCC(=O)C=C(C)N;CJDWKPNHCGCHPN-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136239;MM136239;C=CCC(=O)C=C(C)F;BVPQGHYCYJXWFH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136240;MM136240;C=CCC(=O)C=C(N)N;AFRFZGXRYHVNHL-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136241;MM136241;C=CCC(=O)C=C(F)F;FLZJDGHYIPYALO-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136242;MM136242;C=C(C=C(C)C)NC=N;VTXKFXMTGGOQTQ-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136243;MM136243;C=C(C=C(C)C)NC=O;PQUNOQGDWUSQKU-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136244;MM136244;C=C(C=C(C)F)NC=N;XQHRHGCRVNFVMY-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136245;MM136245;C=C(C=C(C)F)NC=O;NLTFNENMFGHWHJ-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136246;MM136246;C=C(C=C(F)F)NC=N;KJHCSODDNWEEHO-UHFFFAOYSA-N;132.11;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136247;MM136247;C=CNC(=N)C=C(C)C;DTGJLISDUGNZRP-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136248;MM136248;C=CNC(=N)C=C(C)N;ZCLSLIRUYLNJAJ-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136249;MM136249;CC(N)=CC(=N)NC=N;QAVRIHQGOMMSGV-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136250;MM136250;CC(F)=CC(=N)NC=O;FJIGGAQNBCZACS-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136251;MM136251;C=CNC(=N)C=C(N)N;WMLORIYQSBCFMW-UHFFFAOYSA-N;126.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136252;MM136252;N=CNC(=N)C=C(N)N;KXRBIJQMVPBMNP-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136253;MM136253;C=CNC(=O)C=C(C)C;AEJUXMWWWXPEHB-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136254;MM136254;C=CNC(=O)C=C(C)N;RIDCIXCEMQNMRS-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136255;MM136255;C=CNC(=O)C=C(C)F;AMONLBGPRSJTDW-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136256;MM136256;OCC=CNC(=NO)NO;WDRCVTMGBJNHRU-UHFFFAOYSA-N;147.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136257;MM136257;CC(F)=CC(=O)NC=O;NXFWHUNAOBGTJN-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136258;MM136258;C=CNC(=O)C=C(N)N;WKYJUHBACVFVPC-UHFFFAOYSA-N;127.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136259;MM136259;NN=C(C=NNC=O)NO;NMICKYXAOBHIFR-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136260;MM136260;NC(N)=CC(=O)NC=O;YNBWZJZHRNJJMK-UHFFFAOYSA-N;129.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136261;MM136261;NN(CCO)C(=NO)NO;WWFVFYBQACRVDR-UHFFFAOYSA-N;150.14;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136262;MM136262;NNC(=NO)N(O)CCO;AYUGDKCKLCCKCK-UHFFFAOYSA-N;150.14;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136263;MM136263;CC#Cc1cnc(O)n1N;ARRYUDUAMRKEGT-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136264;MM136264;C=NNC(=O)C=C(C)F;OJOHFPCOAJNLTG-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136265;MM136265;C=COC(=C)C=C(C)F;WLJVSEOHZKQXHF-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136266;MM136266;C=COC(=C)C=C(F)F;GGOAJHASYIGTAC-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136267;MM136267;C=COC(=O)C=C(C)C;MQAZIHHAKOWOLT-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136268;MM136268;C=COC(=O)C=C(C)N;JGZHWEXZVAOURG-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136269;MM136269;C=COC(=O)C=C(C)F;PWDWIENSGBQMQZ-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136270;MM136270;C=NOC(=O)C=C(C)C;HAFKCNAOSHAZNH-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136271;MM136271;C=NOC(=O)C=C(C)F;CPSGJGMNCIPDTM-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136272;MM136272;C=NOC(=O)C=C(F)F;RQRBQDJMUYEFGQ-UHFFFAOYSA-N;135.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136273;MM136273;C#CCC(=C)C=C(C)C;UJGNOOZGCSIBAZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136274;MM136274;C#CCC(=C)C=C(C)F;IKTUQLIRYZFGPL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136275;MM136275;C#CCC(=C)C=C(F)F;VWVOUZHDHLPSLP-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136276;MM136276;C#CCC(=O)C=C(C)F;UMPMLIIKZVDVGR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136277;MM136277;CC=CC(C)C=C(C)C;FHMGAVIZWFJCHL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136278;MM136278;CC=CC(C)C=C(C)F;KVTSRFWAFRRYRS-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136279;MM136279;CC(C=CF)C=C(F)F;CANBXNQANZIEGP-UHFFFAOYSA-N;136.12;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136280;MM136280;CC=CC(N)C=C(C)C;DGHMIXQDCHVAOE-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136281;MM136281;CC(C)=CC(N)C=CF;QDYAIKWNHIJIHM-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136282;MM136282;CC=CC(N)C=C(C)F;HNYCEDLOWZGGPQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136283;MM136283;CC(F)=CC(N)C=CF;CQTXMVDVMPAJRL-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136284;MM136284;CC=CC(N)C=C(F)F;YPZZFGMPRFOOAC-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136285;MM136285;NC(C=CF)C=C(F)F;MLZKGMVZBBOBAA-UHFFFAOYSA-N;137.1;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136286;MM136286;Cc1[nH]cnc1F;LRNNCMJNXXIDBZ-UHFFFAOYSA-N;100.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136287;MM136287;CC=CC(F)C=C(C)C;VZCIPVLPRQUBKZ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136288;MM136288;CC(C)=CC(F)C=CF;CABOZLFTYOWNEC-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136289;MM136289;NNC(=O)C1CC1F;WFLYJKSCMSXHNF-UHFFFAOYSA-N;118.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136290;MM136290;Cc1nc(O)c(=N)n(N)n1;IPQFBWDPZJALCA-UHFFFAOYSA-N;141.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136291;MM136291;CN=CN(C)C=C(C)C;XWIIOPBMTHONFG-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136292;MM136292;CN=CN(C)C=C(C)F;NKIMYWGOHIZGRM-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136293;MM136293;CN=CN(N)C=C(C)C;LCBXZJNLELFAIJ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136294;MM136294;C=NNC(=O)C(C)(C)C;STOUNDRMGCAIGN-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136295;MM136295;C=C(C(C)=NO)C(C)C;AEXPQFVXWGHJAK-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136296;MM136296;CC(C)=CN(O)C=NO;LVZFPJRLDPTNKP-UHFFFAOYSA-N;130.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136297;MM136297;C=CC(=O)CNC=NO;DSQKODQAINMMRC-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136298;MM136298;C=NNC(=O)C1(C)CC1;CAYWWJVKPDUYQV-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136299;MM136299;CC(F)=CN(O)C=NO;DTRQJASLHPXTNN-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136300;MM136300;C=C(C=CC)C=C(C)C;MEQKEVWCAPYJSB-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136301;MM136301;C=C(C=CF)C=C(C)C;GRTGSNRJDYIUAX-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136302;MM136302;C=C(C=CC)C=C(C)F;SIFJWMMIXDGZRT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136303;MM136303;C=C(C=CF)C=C(F)F;LLHZILKQTXAHRF-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136304;MM136304;CC(C)=CC(=O)C=CF;QQLHOKDQHMSASY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136305;MM136305;CC=CC(=O)C=C(C)N;JAGPEEWCQMPIDR-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136306;MM136306;CC(N)=CC(=O)C=CN;JXNJYQZHYDCYSR-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136307;MM136307;NC=CC(=O)C=C(N)N;QZVQAOKSOZIFGZ-UHFFFAOYSA-N;127.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136308;MM136308;CC=CC(=O)C=C(F)F;XRMRBGPYRKHKFV-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136309;MM136309;C=CC(C=C)=NNC=O;KSTRGVUXUFUHRC-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136310;MM136310;CC#CC(C)C=C(C)C;DREFITCNSSWDLX-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136311;MM136311;CC#CC(C)C=C(C)F;GHLLSCIRNOZKLC-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136312;MM136312;CC#CC(C)C=C(F)F;WZTHUCICAKPMHF-UHFFFAOYSA-N;130.14;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136313;MM136313;CC#CC(O)C=C(C)F;VKKAKHLLJXVZTA-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136314;MM136314;CC#CC(O)C=C(F)F;OGLHUVCKLRRGHO-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136315;MM136315;CC#CC(F)C=C(C)C;SYOAODGCPXYGAQ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136316;MM136316;CC#CC(F)C=C(C)F;PZWFYCMYYUQYNJ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136317;MM136317;C=C(C#CC)C=C(C)C;YFPJVWJLCCMNMK-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136318;MM136318;C=C(C#CC)C=C(C)F;YWSQACIEPUUPRU-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136319;MM136319;C=C(C#CC)C=C(F)F;NYNGTKKATGBKPD-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136320;MM136320;CC#CC(=O)C=C(C)C;BAJLPFGJIFTAIY-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136321;MM136321;CC#CC(=O)C=C(N)N;XIWRFWNTLJNCKP-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136322;MM136322;CCC=C(C)C=C(C)C;FFLHUMMPCUSQSJ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136323;MM136323;CC(C)=CC(C)=CCN;CAHBUYRBVWVGEM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136324;MM136324;CCC=C(C)C=C(C)F;BXMKHJDQVJLEDM-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136325;MM136325;CC(F)=CC(C)=CCN;KKUXSCQGWUDOSA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136326;MM136326;CCC=C(C)C=C(F)F;XDNNDPNWWQANRM-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136327;MM136327;CC(C=C(F)F)=CCN;DMRYUJJRPADGAL-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136328;MM136328;CC(C=C(F)F)=CCF;HMFIRFITLDGSAP-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136329;MM136329;CCC=C(F)C=C(C)C;DTCWUOJPAGEBFF-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136330;MM136330;CC(C)=CC(F)=CCN;XJMQIWZPMRTMGN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136331;MM136331;CCC=C(F)C=C(C)F;UQHKHIBZBHLZMQ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136332;MM136332;CC(F)=CC(F)=CCN;CIOOVHRSPNIZAT-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136333;MM136333;CCC=C(F)C=C(F)F;RSNIODRVYYAVKC-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136334;MM136334;NCC=C(F)C=C(F)F;QGHZCLKMBVOQLI-UHFFFAOYSA-N;137.1;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136335;MM136335;COC=C(F)C=C(C)F;HXIDATBWTNGFJF-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136336;MM136336;CON=C(C)C=C(C)C;WBPJKGKHOZSFCF-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136337;MM136337;CON=C(C)C=C(C)F;JKNXYQRGICRTSS-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136338;MM136338;CON=C(C)C=C(F)F;TZTRAKABSNKRAQ-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136339;MM136339;CNNC(=N)N=C(N)N;ZWEIICSOSNRCEK-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136340;MM136340;CONC(=N)N=C(N)N;FOSDIMVQRCXVDC-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136341;MM136341;C=CC=C(C)C=C(C)C;PLJOWDJZXJZIBM-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136342;MM136342;CC(C)=CC(C)=CC=O;VWNHLXUKICNQOY-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136343;MM136343;CC(C)=CC(C)=CC#N;KPSANONHKPHDIL-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136344;MM136344;CC(F)=CC(C)=CC=O;VDVMVGGFZSZAJJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136345;MM136345;CC(F)=CC(C)=CC#N;JESVEYKXKAXEHP-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136346;MM136346;C=CC=C(C)C=C(F)F;VWHRUPZEYKFRFX-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136347;MM136347;CC(C=C(F)F)=CC=O;YBVYFLZKNCOQQV-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136348;MM136348;CC(C=C(F)F)=CC#N;YXUDRCVVQCALLF-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136349;MM136349;CC(C)=CC(N)=CC=O;NWJBOWHTZZKTNC-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136350;MM136350;CC(C)=CC(N)=CC#N;KQGDJWUBQSIDDI-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136351;MM136351;CC(F)=CC(N)=CC=O;XUIXZUZQICUKNU-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136352;MM136352;CC(F)=CC(N)=CC#N;LRQTVUCHBMZVAK-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136353;MM136353;C=CC=C(F)C=C(C)C;QOCWIGLTARLZIY-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136354;MM136354;CC(C)=CC(F)=CC=O;QMLLKJACGHYISP-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136355;MM136355;CC(C)=CC(F)=CC#N;JCZRDPJUGVFENE-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136356;MM136356;C=CC=C(F)C=C(C)F;NWXNRHVNDDWPDT-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136357;MM136357;CC(F)=CC(F)=CC#N;GZQKSDOARYRIDU-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136358;MM136358;C=CC=C(F)C=C(F)F;HFMRUTMKBRWKHR-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136359;MM136359;N#CC=C(F)C=C(F)F;CWPWLVWEBMLORT-UHFFFAOYSA-N;133.07;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136360;MM136360;C=NN=C(C)C=C(C)N;FNTVEBBETWXBQW-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136361;MM136361;C=NN=C(C)C=C(C)F;IZKJNPWCULKHSV-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136362;MM136362;C=NN=C(C)C=C(N)N;URSFFHCMAMYLQU-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136363;MM136363;N=CN=C(N)NC(=N)N;KNTUNOPXPGDMNM-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136364;MM136364;N=C(N)NC(N)=NC=O;HRMZCAWIHAJTDJ-UHFFFAOYSA-N;129.12;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136365;MM136365;C=NN=C(N)NC(C)=N;HBCCAFYNTPYGPH-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136366;MM136366;C=NN=C(N)NC(=N)N;SQXLXBITQCFNJN-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136367;MM136367;C#CC=C(C)C=C(C)C;WSWVFJYHEODAIU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136368;MM136368;C#CC=C(C)C=C(C)F;UIYNPTXBXXCSCW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136369;MM136369;C#CC=C(C)C=C(F)F;OQJICNMUOAMOSQ-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136370;MM136370;C#CC=C(F)C=C(C)C;LGYJCSSGDFUVTR-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136371;MM136371;C#CC=C(F)C=C(C)F;BPJGUCXOEXNMNZ-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136372;MM136372;C#CC=C(F)C=C(F)F;SZYBEONETOYFJC-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136373;MM136373;CC(=CC(C)C)CCN;KEYMXIPURXTTIA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136374;MM136374;CCCC(C)=CC(C)N;WTFBQPYUPIBTTM-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136375;MM136375;CC(=CC(C)N)CCF;HOVFNKHHDSZEMR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136376;MM136376;C=NNC(=O)C(C)(C)CC;TZVOPSHGTHQCGT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136377;MM136377;CC(F)CCC(=O)NC=N;CBHWWPPULDUTRV-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136378;MM136378;CCCC(C)=CC(C)F;JSFXQBWAVAMBQI-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136379;MM136379;CC(=CC(C)F)CCN;MURBAZXGFRRCNF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136380;MM136380;CC(=CC(C)F)CCF;XTTYMWKIUQLPHL-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136381;MM136381;CC(=CC(F)F)CCF;YCWJFNPYWHZYHN-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136382;MM136382;CCCC(F)=CC(C)C;MMFZUEWNYHLWJK-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136383;MM136383;CC(C)C=C(F)CCN;JQEQOAJKUPCGKE-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136384;MM136384;CCCC(F)=CC(C)N;IPXCYPLDRIBDND-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136385;MM136385;CC(N)C=C(F)CCF;LTTKPZRYBOYTHF-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136386;MM136386;CCCC(F)=CC(C)O;WQLGJGRNGLVIBU-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136387;MM136387;CC(F)C=C(F)CCN;DHHDJRPCFFBFMA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136388;MM136388;OCCC(F)=CC(F)F;KIIMLZOCGHXKCM-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136389;MM136389;CNCC(C)=CC(C)C;UZHCYVZZIKDXEF-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136390;MM136390;COCC(C)=CC(C)N;PWJIGSIZSOKNPH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136391;MM136391;COCC(C)=CC(C)O;QCZGWBWIJGTENU-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136392;MM136392;COCC(C)=CC(F)F;WYRKRAAAMQWGPT-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136393;MM136393;CCOC(C)=CC(C)C;UVNGVMVFFCIPPV-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136394;MM136394;CCCC(C)=NN(C)C;FRNVWUPLTPHVKA-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136395;MM136395;CCOC(C)=NN(C)C;DTXJJUGZYPSUCL-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136396;MM136396;C=CCC(C)=CC(C)C;VNNSGZVDYRCKRQ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136397;MM136397;CC(=CC(C)C)CC=O;NTGGFSCOOFJRJJ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136398;MM136398;CC(=CC(C)C)CC#N;RZKJMEXSIJAWFR-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136399;MM136399;C=CCC(C)=CC(C)N;BXHUJYXHKMHHJN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136400;MM136400;N=CNC(=O)CCC=CF;PXSFACSKDFGVCY-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136401;MM136401;CC(=CC(C)F)CC=O;MPTPYXOQTXSPHK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136402;MM136402;CC(=CC(C)F)CC#N;FMVSALYDGYZSHR-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136403;MM136403;C=CCC(C)=CC(F)F;IOVDARGNLPQFNV-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136404;MM136404;CC(=CC(F)F)CC=O;RNPMQGJHIAXONT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136405;MM136405;CC(=CC(F)F)CC#N;ZOTOHZLONCQFAO-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136406;MM136406;C=CCC(F)=CC(C)C;SPTHNPGCFBLMIK-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136407;MM136407;CC(C)C=C(F)CC=O;CFOFWLWVRZQHBN-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136408;MM136408;C=CCC(F)=CC(C)N;CMCIAXNFEPHLSJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136409;MM136409;C=CCC(F)=CC(C)O;AYDYQZQWHYJWIW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136410;MM136410;C=CCC(F)=CC(C)F;UNTNFXWEJMKASO-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136411;MM136411;CC(F)C=C(F)CC=O;BNQZGAODORNRLH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136412;MM136412;CC(F)C=C(F)CC#N;KCCXOLWVOUBWBX-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136413;MM136413;C=CCC(F)=CC(F)F;ZSNNTCUJQKZLCA-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136414;MM136414;O=CCC(F)=CC(F)F;AUOLXEWXXCZXFK-UHFFFAOYSA-N;138.09;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136415;MM136415;CC(=CC(C)C)NC=N;FCELGMZQKVUDHG-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136416;MM136416;CC(=CC(C)C)NC=O;LNZJZJRHGYMYAT-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136417;MM136417;CC(=CC(C)F)NC=N;AXUBBDXHTKZKSF-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136418;MM136418;CC(=CC(C)F)NC=O;OHRLOKVAXGKONK-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136419;MM136419;CC(=CC(F)F)NC=O;LKRIJWNSBSZEFI-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136420;MM136420;C=COC(C)=CC(C)C;OPZFAMQVQGGUIO-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136421;MM136421;CC(=CC(C)O)OC=O;ZHEOAZBLGXENBB-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136422;MM136422;CC(=CC(C)F)OC=O;HKCATKKDGNANFX-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136423;MM136423;CC(=CC(F)F)OC=O;KPIDHKQZDKDPOI-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136424;MM136424;C=CNC(C)=NC(C)C;LSXZJRJOWPHEES-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136425;MM136425;C#CCC(C)=CC(C)C;FUHCHJTYOSJWJN-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136426;MM136426;C#CCC(C)=CC(C)N;WYXFGBMXPVHFAU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136427;MM136427;C=CNC(=O)CNC=NO;FEYKPMSVFFPCCA-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136428;MM136428;C#CCC(C)=CC(C)F;HOHZBOAQIUPZNY-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136429;MM136429;C#CCC(C)=CC(F)F;CTVWUUGQJQMZQX-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136430;MM136430;C#CCC(F)=CC(C)C;RWGQHPGZNYZHGP-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136431;MM136431;C#CCC(F)=CC(C)N;XROWSKXKFFLSHR-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136432;MM136432;C#CCC(F)=CC(C)F;TWRAXDUBKVFXEL-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136433;MM136433;C#CCC(F)=CC(F)F;YGNBIIVRDOEEDW-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136434;MM136434;C#CCC(C)=NN(C)C;DQZQIJDTYOEGKW-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136435;MM136435;C=C(C)C=C(C)CCN;MWDQVMNFUVVBAG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136436;MM136436;CCCC(C)=CC(C)=O;URFGREAPSNSHAH-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136437;MM136437;CC(=O)C=C(C)CCF;LBJFGCVVYHSMKU-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136438;MM136438;CCCC(C)=CC(=N)N;JDDRTPJLACKUPX-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136439;MM136439;CC(=CC(=N)N)CCN;AVVPUWKBJNUNBY-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136440;MM136440;CC(=CC(=N)N)CCO;MLWJVVHDWQZFLF-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136441;MM136441;CC(=CC(=N)N)CCF;MTNRHLQGNSTCNJ-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136442;MM136442;CNNC(=O)C(O)COC;PJODSJJOLKYWPW-UHFFFAOYSA-N;148.16;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136443;MM136443;CC(=CC(N)=O)CCN;BZWVYWFFZWVMNM-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136444;MM136444;CCCC(C)=CC(=O)O;NTWSIWWJPQHFTO-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136445;MM136445;CC(=CC(=O)O)CCF;XNISKACIHSXGNV-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136446;MM136446;C=C(F)C=C(C)CCC;LOLJDPKHSBLIQW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136447;MM136447;C=C(F)C=C(C)CCN;NJSPBBNVKIIRRW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136448;MM136448;N=C(N)C=C(N)CCO;WZLUQDXSXUNUER-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136449;MM136449;C=C(F)C(=O)NCC=NN;AZWZOZJSJRCRKI-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136450;MM136450;C=C(C)C=C(F)CCN;ZVDSMXKFVQPSLQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136451;MM136451;C=C(C)C=C(F)CCF;MHGJWYPIMPVTMY-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136452;MM136452;CCCC(F)=CC(C)=O;FYIGKTOBBHUXGC-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136453;MM136453;CCCC(F)=CC(=N)N;OVSQDUXZUWGSEV-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136454;MM136454;CN(O)C(=N)C=NNC=O;DHJSNEIQGVXUHG-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136455;MM136455;N=c1ncn(O)n(O)c1=O;NWEFASDHZWMHGS-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136456;MM136456;O=C(O)C=C(F)CCF;ZWRXQEMKIIFDIA-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136457;MM136457;CNCC(C)=CC(C)=O;QXQSIGMWEBFRLE-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136458;MM136458;CNCC(C)=CC(=N)N;MZALTPQRSOSHRD-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136459;MM136459;CNCC(C)=CC(N)=O;SAXSFPMBVRIEJS-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136460;MM136460;CNCC(N)=CC(C)=O;QLNKSJKZYGNGIK-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136461;MM136461;N=C(CC1CC1F)NC=O;DDYNFUWHUCJKIZ-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136462;MM136462;COCC(N)=CC(=N)N;XSSOGLFKDUWIAP-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136463;MM136463;N=CNC(=O)CC1CC1F;IRFNOHPUJJEVBR-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136464;MM136464;COCC(F)=CC(C)=O;BYAJJYYDJBEFSZ-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136465;MM136465;COCC(F)=CC(N)=O;TZWBNXHANDLZKA-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136466;MM136466;CCNC(C)=CC(C)=O;MIMYJENZYVAQIZ-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136467;MM136467;Nc1n[nH]c(O)c1N;MUYIVZJCWVZYHR-UHFFFAOYSA-N;114.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136468;MM136468;CCNC(N)=CC(=N)N;CPMUBOCQLCBXSA-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136469;MM136469;COC(C)C(O)C(=O)NN;DXEZPYPSXMWONG-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136470;MM136470;C=C(C)C=C(C)OCC;JMVXTPBGFNUXCT-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136471;MM136471;CCOC(C)=CC(C)=O;QYEVFNRONKBUNY-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136472;MM136472;CCOC(C)=CC(=N)N;RMUHXMRJIZJGRC-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136473;MM136473;Nc1cn(N)c(O)nc1=O;GYIGSANRLCYVNL-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136474;MM136474;C=C(F)C=C(C)OCC;DNGYHGCKUORIJO-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136475;MM136475;CCOC(N)=CC(=N)N;UJRKVQHSXUGKTL-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136476;MM136476;CC(=NN)C(C)=NNC=O;WRRHMTDACZODJA-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136477;MM136477;N=c1oc(=O)n(O)n1N;JDXVQSVLZLNZQR-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136478;MM136478;C=CCC(C)=CC(=C)C;IFCOFLXDMCNQLY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136479;MM136479;C=C(C)C=C(C)CC=O;MTGGPCWVUASEAH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136480;MM136480;C=C(C)C=C(C)CC#N;JVQIQJVXNKMNQV-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136481;MM136481;C=CCC(C)=CC(C)=O;DAJDVEKGELIWBV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136482;MM136482;CC(=O)C=C(C)CC=O;CPTJYBVKXBNWNA-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136483;MM136483;CC(=O)C=C(C)CC#N;OMILQENICVRXRF-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136484;MM136484;C=CCC(C)=CC(=N)N;RJSTYZQEUHNIHS-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136485;MM136485;CC(C#N)N=CNOC=O;HXSDGUGBSUUBGY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136486;MM136486;C=CCC(C)=CC(=O)O;PRYGQIUUDQPDHW-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136487;MM136487;CC(=CC(=O)O)CC#N;SVTRCUSOXIWEPY-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136488;MM136488;C=C(F)C=C(C)CC=O;TVFMOSRACUCFPN-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136489;MM136489;C=C(F)C=C(C)CC#N;PHOKSOOSOGPGHL-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136490;MM136490;C=CCC(N)=CC(C)=O;YNTOHQIJCQUIPS-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136491;MM136491;C=CCC(N)=CC(=N)N;LEJQMMXWDMVQAM-UHFFFAOYSA-N;125.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136492;MM136492;N#CCC(N)=CC(=N)N;NABAWZRZILNGPA-UHFFFAOYSA-N;124.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136493;MM136493;CN=C(C=NNC=O)NO;HDFRJUWUYZZUQS-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136494;MM136494;NN=C(C=NNC=O)NN;QJGJATVCHOCZNK-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136495;MM136495;C=C(C)C=C(F)CC=O;ZDPNBJBZBUXXMZ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136496;MM136496;CC(=O)C=C(F)CC=O;JNSVZCZXAHXCCE-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136497;MM136497;C=CCC(F)=CC(=N)N;LCMBXWDMZDYPLH-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136498;MM136498;CCC(C#N)C(C)=NNC;HSASXWWOYCZQEY-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136499;MM136499;C=CCC(F)=CC(=O)O;HBPKFZSSFGBYSV-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136500;MM136500;C=C(C)C=C(C)NC=N;NQJHUEMCEPOOTA-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136501;MM136501;C=C(C)C=C(C)NC=O;HVVHOXGUEFUEQF-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136502;MM136502;CC(=O)C=C(C)N=CN;RRRLVBZVYUUHJW-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136503;MM136503;CC(=O)C=C(C)NC=O;AVZHJWSIJXUGMX-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136504;MM136504;CC(=CC(=N)N)NC=N;NKBOEYMEXIWDTL-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136505;MM136505;CC(=CC(=N)N)NC=O;KVFXOCUXKYFQBV-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136506;MM136506;CC(=CC(N)=O)N=CN;MNYNBBGGVPTSDC-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136507;MM136507;CC(=CC(N)=O)NC=O;CHZYMVJSEYITEZ-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136508;MM136508;C=C(F)C=C(C)NC=O;ZWXAZEUSJDFGLI-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136509;MM136509;N=CNC(N)=CC(=N)N;QQGQCDPSAWPMSQ-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136510;MM136510;N=C(N)C=C(N)NC=O;YTDRSZDIHGHXFF-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136511;MM136511;N=CNC(N)=CC(N)=O;FIKWKSYLWOYCBG-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136512;MM136512;NC(=O)C=C(N)NC=O;NOTYTKXNDYCALE-UHFFFAOYSA-N;129.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136513;MM136513;C#CCc1nc(CF)c[nH]1;AYLYKKVIHSJUSP-UHFFFAOYSA-N;138.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136514;MM136514;C=Nn1nc(O)n(C)c1=N;AZRJRWSHCVKOBK-UHFFFAOYSA-N;141.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136515;MM136515;C=NNC(N)=CC(=N)N;WRWHILAQKQOYOF-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136516;MM136516;C=COC(C)=CC(=C)C;NQKORFSOLFHWCU-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136517;MM136517;C=COC(C)=CC(C)=O;WISIIFUANOVHNO-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136518;MM136518;CC(=CC(=N)N)OC=O;CTLOYPPHWQMHDO-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136519;MM136519;NN=c1nnnc(N)n1O;UCYKZSBFHDIWQO-UHFFFAOYSA-N;143.11;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136520;MM136520;C=C(C)C(C)=NO;PTERMXAGTLNYIU-UHFFFAOYSA-N;99.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136521;MM136521;C=CN=C(C)NC(=N)N;KLNSQNRQTYUKAU-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136522;MM136522;C#CCC(C)=CC(=C)C;GZPQDSFHQMCVKB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136523;MM136523;C#CCC(C)=CC(C)=O;ILHXQLRSRRMARV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136524;MM136524;C#CCC(C)=CC(=N)N;YBJMGMCEEUHXDK-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136525;MM136525;Nc1cc(F)[nH]n1;NHAGRTARAUTNOB-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136526;MM136526;C#CCC(C)=CC(=O)O;SUWYMUVCHZFBFA-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136527;MM136527;C#CCC(C)=CC(=C)F;OIFJHDFTWUKGFH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136528;MM136528;C#CCC(N)=CC(=N)N;LTFOSWAGSPDSQK-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136529;MM136529;C=C(CC)C(C)=NO;IWIOUKSZRHVRFO-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136530;MM136530;C#CCC(F)=CC(=C)C;SPPBVTUIGWWEIW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136531;MM136531;C#CCC(F)=CC(C)=O;ZUPJJDPGVVKCFD-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136532;MM136532;C#CCC(F)=CC(N)=O;BJSGKOZXMGXZBA-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136533;MM136533;C#CCC(F)=CC(=O)O;LCYLRMZARBEWJD-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136534;MM136534;CC=CC(C)=CC(C)C;NINFQZDXJDFSGW-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136535;MM136535;CC=CC(C)=CC(C)N;NOLRCULNCHNNQP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136536;MM136536;CC(C=CF)=CC(C)N;OABXVZACURPLPM-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136537;MM136537;CC1=CCC(=NO)N1;LXJXRXFFNKSKHO-UHFFFAOYSA-N;112.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136538;MM136538;O=CCCNC=NO;XHBSTXDKAZHLJV-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136539;MM136539;CC=CC(C)=CC(C)F;ATQDNHSAJWMYOG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136540;MM136540;CC(C=CF)=CC(C)F;ZGQWAGBTIDBMFJ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136541;MM136541;CC(C=CF)=CC(F)F;PHDRYZURZQZFDC-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136542;MM136542;CC=CC(F)=CC(C)C;PSSZBOLPCIDMCP-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136543;MM136543;CC=CC(F)=CC(C)N;NWJXKYGMFUHEJB-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136544;MM136544;CC=CC(F)=CC(C)O;ZEJZNFUGBASKSX-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136545;MM136545;CC(O)C=C(F)C=CF;WZRVTTNNONHIFR-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136546;MM136546;CC=CC(F)=CC(C)F;LZGXGNBWKTVKEE-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136547;MM136547;CC=CC(F)=CC(F)F;ZJSRROXNNWBVLR-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136548;MM136548;CC(C=NN)=CC(C)C;GHZLSCQEKDTHLX-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136549;MM136549;CC=NNC(=O)CCC;BTELMOFIBJKBFB-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136550;MM136550;CC(C=NO)=CC(C)O;LRYBYLLXGIVCGJ-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136551;MM136551;CC(C=NN)=CC(C)F;NPCXQKUJSXCYNI-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136552;MM136552;CC(C=NO)=CC(C)F;RPADSKUIEAAXBG-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136553;MM136553;CC(C=NO)=CC(F)F;KQWSFIFPEYDYOU-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136554;MM136554;CC(C=NO)=NN(C)C;VRYGVKHATOJXNC-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136555;MM136555;C=C(C)C=C(C)C=CF;KXZWUFJESVOSPZ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136556;MM136556;CC=CC(C)=CC(C)=O;CLLAEQBTPCCTBI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136557;MM136557;CC(=O)C=C(C)C=CF;WRDOTECRRKJHTN-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136558;MM136558;CC=CC(C)=CC(=N)N;SPNJJUFQYOUUOO-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136559;MM136559;CC(C=CF)=CC(=N)N;WKUALNNDMIJKBC-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136560;MM136560;CC1C(=N)N(O)C=C1F;PUJIZGKYWHXWKI-UHFFFAOYSA-N;130.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136561;MM136561;CC=CC(C)=CC(=O)O;YPWRJTJVIGMPLE-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136562;MM136562;CC(C=CF)=CC(=O)O;MPZBBGZNYOMUBW-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136563;MM136563;C=C(F)C=C(C)C=CF;RAYPOZCKTJXBAZ-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136564;MM136564;CC=CC(N)=CC(C)=O;YNECQXBBMSWLHY-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136565;MM136565;CCCc1n[nH]c(C)n1;PLSXIQIFBAFZGG-UHFFFAOYSA-N;125.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136566;MM136566;ON=C(NO)NCCF;TWAHBYQTYPUNMG-UHFFFAOYSA-N;137.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136567;MM136567;C=C(C)C=C(F)C=CC;VPJYRGZQKPUVJO-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136568;MM136568;CC=CC(F)=CC(C)=O;HIQKOCJWWWGBGU-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136569;MM136569;CC=CC(F)=CC(=N)N;BSQQYYLFXYXPNM-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136570;MM136570;N=C(N)C=C(F)C=CF;PIHLAOAHZTWVMD-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136571;MM136571;NC(=O)C=C(F)C=CF;AVYGGQOWGACYNV-UHFFFAOYSA-N;133.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136572;MM136572;CC=CC(F)=CC(=O)O;FOBIQEOAHQIYEN-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136573;MM136573;C=C(F)C=C(F)C=CC;BQSLYXJZAFFXHV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136574;MM136574;C=C(C)C=C(C)C=NN;AXLJEZGAGCCGNP-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136575;MM136575;C=CC(CCCC)=NO;YACQMFVYQKGHBT-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136576;MM136576;C=C(F)C=C(C)C=NN;HOGFFLQICAEJBF-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136577;MM136577;N=C(N)C=C(N)C=NO;QMWHEQQVSFFYJG-UHFFFAOYSA-N;128.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136578;MM136578;NC(=O)C=C(N)C=NO;OVNPBWVODFDWDW-UHFFFAOYSA-N;129.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136579;MM136579;N=CNC(N)=NC(=N)N;KNTUNOPXPGDMNM-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136580;MM136580;N=CNC(N)=NC(N)=O;GEVNWNATSFEYRG-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136581;MM136581;CC#CC(C)=CC(C)C;HGUUBTMIYMKCQW-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136582;MM136582;CC#CC(C)=CC(C)N;XRWNAIAMGQKUQN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136583;MM136583;CC#CC(F)=CC(C)C;HTNRNJNKJCMKSU-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136584;MM136584;CC#CC(F)=CC(C)N;LAEDCHWMXFLFTB-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136585;MM136585;CC#CC(F)=CC(C)O;YXNYHOFVQCCXCZ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136586;MM136586;CC#CC(F)=CC(C)F;GRQUSEYVNXFXEM-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136587;MM136587;CC#CC(F)=CC(F)F;PKKHQKKRCZMCJL-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136588;MM136588;CC#CC(C)=NN(C)C;FRFOCPBAMPPVDM-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136589;MM136589;C=C(C)C=C(C)C#CC;RQPAWEUPZNMDMP-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136590;MM136590;CC#CC(C)=CC(C)=O;JGMKMIQVIGWYCE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136591;MM136591;CC#CC(C)=CC(=N)N;ASUJGOLEATXVBB-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136592;MM136592;CC(=NO)N1CC1CO;GYAMIRNDKFNFCX-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136593;MM136593;CC#CC(C)=CC(=O)O;ZBSHDAKWUQGJLS-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136594;MM136594;C=C(F)C=C(C)C#CC;ZAWXMELVSJIMPC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136595;MM136595;CC#CC(N)=CC(C)=O;RDYZHIFYOQJGLF-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136596;MM136596;CC(C(O)C#N)N1CC1;LWUZWQMBEYIYMK-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136597;MM136597;CC=Cn1cnc(=NO)[nH]1;RCMZWPYSMVKIEI-UHFFFAOYSA-N;140.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP5";;;;;;;-1.11;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136598;MM136598;C=C(C)C=C(F)C#CC;BGNDDJGFWXMCPG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136599;MM136599;CC#CC(F)=CC(C)=O;RVOHDMYJRGBSBR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136600;MM136600;CC#CC(F)=CC(=N)N;BCSBCDJPSQVKAK-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136601;MM136601;CC#CC(F)=CC(N)=O;FWAUUFQTXCQCEL-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136602;MM136602;CC#CC(F)=CC(=O)O;IDYDOENXXMYMIW-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136603;MM136603;C=C(F)C=C(F)C#CC;OUSSTAWNCPCOAT-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136604;MM136604;C#CCC1(C)CC(C)C1;YBIGNYWKJBCRQH-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136605;MM136605;C#CCC1(C)CC(C)N1;PNAKPGSPBFVRLJ-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136606;MM136606;C#CCC1(C)CC(=O)C1;ULHZGWAHXHDXKZ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136607;MM136607;C#CCC1(C)CC(=O)N1;HWAQMTDLODNLKH-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136608;MM136608;CC(F)CCC(=N)NC=O;LIVPDKXULCAXQQ-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136609;MM136609;CC=CC1(C)CC(F)C1;ZCHWRKUPVRNJKP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136610;MM136610;CC=CC1(C)CC(=O)C1;OJMQHOUTIHRODZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136611;MM136611;CC#CC1(C)CC(C)C1;NMJAZXQYTIWMON-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136612;MM136612;CC#CC1(C)CC(N)C1;AYXMDEBBHRTQEL-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136613;MM136613;CN(C)NC(=O)N(N)C=N;JVKBMKDQIIIYDK-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136614;MM136614;CC#CC1(C)CC(F)C1;XJGYRRZZXDOFHL-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136615;MM136615;CC#CC1(N)CC(C)C1;NLQWOECOZLAOBM-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136616;MM136616;CC#CC1(N)CC(N)C1;WVCCBEMZSPRWMH-UHFFFAOYSA-N;124.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136617;MM136617;CC#CC1(N)CC(O)C1;DNNIQIBNHDAILV-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136618;MM136618;CC#CC1(N)CC(F)C1;MWSLMIXOVGLQKG-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136619;MM136619;CC#CC1(O)CC(C)C1;KBNGJUMFZOOSLN-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136620;MM136620;CC#CC1(O)CC(N)C1;JRLSXLIDQMIUSV-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136621;MM136621;CC#CC1(O)CC(O)C1;ZQACNEDSBQYZRG-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136622;MM136622;CC#CC1(O)CC(F)C1;FEJUDQRYVFEOFS-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136623;MM136623;CC#CC1(F)CC(C)C1;VTHBLWNBXJUFRU-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136624;MM136624;CC#CC1(F)CC(N)C1;PYNAJNDCOJEHBY-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136625;MM136625;CC#CC1(F)CC(O)C1;GZUCWFOJYSXPLI-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136626;MM136626;CC#CC1(C)CC(C)N1;LMEDAOPAJPYZBA-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136627;MM136627;CC#CC1(C)CC(C)O1;FMMYNUMZDVRLFN-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136628;MM136628;CN(C)CC(C#N)NC=O;FPPNXMDNHVQJPU-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136629;MM136629;CC#CC1(C)CC(=O)C1;QIWWBOIKRKQHFG-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136630;MM136630;CC#CC1(O)CC(=O)C1;LFCNDZBGKYXGIX-UHFFFAOYSA-N;124.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136631;MM136631;CC#CC1(F)CC(=O)C1;XIFYFWOGHDAAJS-UHFFFAOYSA-N;126.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136632;MM136632;CC#CC1(C)CC(=O)N1;DXZWLCHGCRRGEA-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136633;MM136633;CC#CC1(C)CC(=O)O1;ASRBTYQECGBDOI-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136634;MM136634;CC(C)CC1(C)CC1C;JPEIULDWGAYREO-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136635;MM136635;CC(N)CC1(C)CC1C;HBPDWBZXPAHXCV-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136636;MM136636;N=C(CCC=CF)NC=O;CZZNKTJBNBPCRF-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136637;MM136637;CC(F)CC1(C)CC1C;FZHCDOJBTUNINQ-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136638;MM136638;CC1CC1(C)CC(F)F;BHNHLTLCTRGHRK-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136639;MM136639;CC(C)CC1(C)CC1N;CYUOOZWNBAVBQN-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136640;MM136640;CC(N)CC1(C)CC1N;TVKRLWRCMGDNIO-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136641;MM136641;CC(O)CC1(C)CC1N;ZBNLDWYZGSNZFK-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136642;MM136642;CC(F)CC1(C)CC1N;RIBUXLKTLIBWPL-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136643;MM136643;CC1(CC(F)F)CC1N;VFKNIIPAHSEWRU-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136644;MM136644;CCC=NNC(=O)CCC;YGGZUFWLPANFCS-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136645;MM136645;CC(N)CC1(C)CC1O;HZYUNBXKWXTZDO-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136646;MM136646;CC(O)CC1(C)CC1O;XZMDPZMDXISECR-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136647;MM136647;CC(F)CC1(C)CC1O;HHARMNSNLLFBBE-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136648;MM136648;CC1(CC(F)F)CC1O;GYRLSZXXCVQSDW-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136649;MM136649;CC(C)CC1(C)CC1F;QEONIFYWKIFPDX-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136650;MM136650;CC(N)CC1(C)CC1F;GDLROCBINGUEJW-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136651;MM136651;CC(O)CC1(C)CC1F;XYNKPMIJXOMGQO-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136652;MM136652;CC(C)CC1(N)CC1C;ZCSPVWJRKLRUDC-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136653;MM136653;CC(N)CC1(N)CC1C;IPMAMEUQOAAQLP-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136654;MM136654;CC(O)CC1(N)CC1C;SDVUQWWASYCJSN-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136655;MM136655;CC(F)CC1(N)CC1C;GEIGBUNJWJXSJH-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136656;MM136656;CC1CC1(N)CC(F)F;NKHGJKMLYKTNLD-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136657;MM136657;CC(C)CC1(N)CC1N;MZEWCYFMDNNBGC-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136658;MM136658;CC(N)CC1(N)CC1N;IAHFQZFLQAJMEJ-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136659;MM136659;CC(O)CC1(N)CC1N;AIOGBBJQUIJZPK-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136660;MM136660;CC(F)CC1(N)CC1N;QUGBFPDYEQASJX-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136661;MM136661;NC1CC1(N)CC(F)F;JRHPOLKEBMOSBY-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136662;MM136662;CC(C)CC1(N)CC1O;GBQDOELAXQSMSC-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136663;MM136663;CC(O)CC1(N)CC1O;RLIXDCLTBQSNLP-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136664;MM136664;CC(F)CC1(N)CC1O;AUXCAWSZIYTWTD-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136665;MM136665;NC1(CC(F)F)CC1O;QDARASXEQJNQNM-UHFFFAOYSA-N;137.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136666;MM136666;CC(N)CC1(N)CC1F;AJZJFHIYVQOHIQ-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136667;MM136667;CC(O)CC1(N)CC1F;GWYAPCMDHOAPLA-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136668;MM136668;NC1(CC(F)F)CC1F;NVWGOMUUOIAFOT-UHFFFAOYSA-N;139.12;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136669;MM136669;CC(CCF)N(C)C=NO;WZJVURGIVXAFNL-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136670;MM136670;CC(N)CC1(O)CC1C;FLHLORCLCJHLRU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136671;MM136671;CC(O)CC1(O)CC1C;DLOMKXWUOVBIRK-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136672;MM136672;CC(F)CC1(O)CC1C;VJCKRJQADSOYPB-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136673;MM136673;CC1CC1(O)CC(F)F;GKUNJRXBHMXGIV-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136674;MM136674;CC(C)CC1(O)CC1N;YORWBVBLHLSWSU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136675;MM136675;CC(N)CC1(O)CC1N;XLGFPJXAJRQKGK-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136676;MM136676;CC(O)CC1(O)CC1N;FOAFMASCKYJMOH-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136677;MM136677;CC(F)CC1(O)CC1N;FSRACUPGLJBORL-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136678;MM136678;NC1CC1(O)CC(F)F;LZYWIDKCEMSQQB-UHFFFAOYSA-N;137.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136679;MM136679;CC(N)CC1(O)CC1O;YLWQZKTUSPYWLY-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136680;MM136680;CC(O)CC1(O)CC1O;RRCZLBPFZXNMAO-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136681;MM136681;CC(F)CC1(O)CC1O;WTXPFJQNLUJGJQ-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136682;MM136682;OC1CC1(O)CC(F)F;UMNWHUHFUGULFS-UHFFFAOYSA-N;138.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136683;MM136683;CC(O)CC1(O)CC1F;BQERSGWFZGUZBR-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136684;MM136684;CC(F)CC1(O)CC1F;JNKRVFCWLOPSFQ-UHFFFAOYSA-N;136.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136685;MM136685;CC(C)CC1(F)CC1C;DMWJFQMFDFYJIR-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136686;MM136686;CC(N)CC1(F)CC1C;CEZIYKAVXXOLIZ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136687;MM136687;CC(O)CC1(F)CC1C;DGNXYHNLERHLCC-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136688;MM136688;CC(F)CC1(F)CC1C;DSJTXPJXAXRWGE-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136689;MM136689;CC1CC1(F)CC(F)F;YMBVSYVMMWZEDD-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136690;MM136690;CC(C)CC1(F)CC1N;NSMAEYKEHRPWOC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136691;MM136691;CC(N)CC1(F)CC1N;BTYHKQIBFRJLLA-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136692;MM136692;CC(C)CC1(F)CC1O;FNERXHNJRWBIPY-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136693;MM136693;CC(N)CC1(F)CC1O;OOQRPUXDFQQLRE-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136694;MM136694;CC(C)CC1(F)CC1F;XELWUSBWFLXEBA-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136695;MM136695;CC(N)CC1(F)CC1F;NQBWSRGIRSSLOB-UHFFFAOYSA-N;135.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136696;MM136696;CC(C)NC1(C)CC1C;NHVABEAREGIAFU-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136697;MM136697;CC(C)NC1(C)CC1N;QUWRGISEZZWSHF-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136698;MM136698;CC(C)NC1(C)CC1O;UGHHLGLCIWXNIW-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136699;MM136699;CC(C)OC1(C)CC1C;FVNUIFCTQKLUIF-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136700;MM136700;CC(C)OC1(C)CC1N;GSTCANUUSWQTAA-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136701;MM136701;CC(C)OC1(C)CC1O;QMZYDMDGFIYBAU-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136702;MM136702;CC1CC1(C)CN(C)C;IWORWKSOCHFBDW-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136703;MM136703;CN(C)CC1(C)CC1N;LQYNHSBCGGAAKS-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136704;MM136704;CN(C)CC1(C)CC1O;JEPDNRLYEFHAOF-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136705;MM136705;CN(C)CC1(C)CC1F;VUCYTGCOBBYHQZ-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136706;MM136706;CC1CC1(N)CN(C)C;MPUMZZHLCSMQGV-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136707;MM136707;CN(C)CC1(N)CC1N;HBKBUSAGIUIRMG-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136708;MM136708;CC1CC1(O)CN(C)C;YRAQIYSQAQNPES-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136709;MM136709;CN(C)CC1(O)CC1N;KESXBCTYNUQCLZ-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136710;MM136710;CN(C)CC1(O)CC1O;AWCFWELUNDOMLA-UHFFFAOYSA-N;131.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136711;MM136711;CN(C)CC1(F)CC1N;PXEZVIAAUYDJRU-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136712;MM136712;CC(N)CC1(C)NC1C;GNQZJDQVNFCTEV-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136713;MM136713;CC1NC1(C)CN(C)C;GCQKUNGZBCDCGR-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136714;MM136714;CC(C)CC1(C)OC1C;AYQCHLHFCWHEAD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136715;MM136715;CC(N)CC1(C)OC1C;RCPRCCNQDZLPBC-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136716;MM136716;CC(O)CC1(C)OC1C;WQVAFMUODPNFPI-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136717;MM136717;CC(F)CC1(C)OC1C;UDVIBGWUJPKEDF-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136718;MM136718;CC1OC1(C)CC(F)F;BKXVFVBHMYWHKQ-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136719;MM136719;CC1OC1(C)CN(C)C;VOZNFQLEZSCZMA-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136720;MM136720;CC(N)CC1(C)CN1C;FZZHFUDBVKTLCG-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136721;MM136721;CN1CC1(C)CC(F)F;CPMNGMFVXXVWSB-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136722;MM136722;CN(C)CC1(C)CN1C;XVBRDICLHZGCMZ-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136723;MM136723;C=C(C)CC1(C)CC1C;VUZARHIFUSCODO-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136724;MM136724;CC(=O)CC1(C)CC1C;ZZWHMIIBCGHBDK-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136725;MM136725;CC1CC1(C)CC(=N)N;MPGSOADQXWNUPF-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136726;MM136726;C=CCCC(=O)NN=CC;KMMSGNYQYBUUGK-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136727;MM136727;CC1CC1(C)CC(=O)O;LUOBIJDFUJOQMN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136728;MM136728;C=C(F)CC1(C)CC1C;LBLOEQIEXAABKI-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136729;MM136729;C=C(C)CC1(C)CC1N;DKVNEDHGTQIGFT-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136730;MM136730;CC1(CC(=N)N)CC1N;CWAMWPFOUDIVRB-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136731;MM136731;CC1(CC(N)=O)CC1N;QGXVDIWNMLFTDK-UHFFFAOYSA-N;128.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136732;MM136732;C=C(F)CC1(C)CC1N;IXUMGOLOMCIQRF-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136733;MM136733;C=CC(F)CCNC=NO;ZRZAIYTYNBVDIO-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136734;MM136734;CC(=O)CC1(C)CC1O;GGXZDLQPDNTTSW-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136735;MM136735;CC1(CC(=N)N)CC1O;LQBKIKKWBQJVAK-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136736;MM136736;CC1(CC(N)=O)CC1O;KTYGSDWAKSAAIA-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136737;MM136737;N#CC(C=O)C(=O)C(=N)N;WUZKYZCIXMXODK-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136738;MM136738;C=C(F)CC1(C)CC1O;YPMZANPJXWQXPP-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136739;MM136739;C=C(C)CC1(C)CC1F;GPPZIHIQKNQCOE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136740;MM136740;CC(=O)CC1(C)CC1F;FUAVQHHBKHXHIB-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136741;MM136741;CC1(CC(=N)N)CC1F;BERAZECNNOVHEQ-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136742;MM136742;CC1(CC(N)=O)CC1F;PSYPIUFWWPGGMP-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136743;MM136743;CC1(CC(=O)O)CC1F;RMDVXDZPYNTAPL-UHFFFAOYSA-N;132.13;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136744;MM136744;C=C(F)CC1(C)CC1F;TYGQDVNDDGATKP-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136745;MM136745;C=C(C)CC1(N)CC1C;CAIXDYOZCLYVIR-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136746;MM136746;CC1CC1(N)CC(=N)N;MOEUMZARDFXIBZ-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136747;MM136747;CC1CC1(N)CC(N)=O;XLSXVAHAFJKYLQ-UHFFFAOYSA-N;128.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136748;MM136748;C=C(F)CC1(N)CC1C;HLGRRUDIOROMFT-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136749;MM136749;C=C(C)CC1(N)CC1N;CUQVNUCXWVRXTB-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136750;MM136750;N=C(N)CC1(N)CC1N;IZOZIVCIDUXALB-UHFFFAOYSA-N;128.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136751;MM136751;NC(=O)CC1(N)CC1N;IREXSKVTPIOLNH-UHFFFAOYSA-N;129.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136752;MM136752;C=C(F)CC1(N)CC1N;SVELKNWPXOLROP-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136753;MM136753;C=C(C)CC1(N)CC1O;ONUMRESHLPWKTR-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136754;MM136754;N=C(N)CC1(N)CC1O;AEMOYGRCEVOFPO-UHFFFAOYSA-N;129.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136755;MM136755;C=C(F)CC1(N)CC1O;CJLKXDOYCVELHB-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136756;MM136756;C=C(C)CC1(N)CC1F;QJVMFRZOSQRQOA-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136757;MM136757;N=C(N)CC1(N)CC1F;FTXDYBAPAYYOHL-UHFFFAOYSA-N;131.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136758;MM136758;C=C(F)CC1(N)CC1F;SDWYQIJLBYYHJY-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136759;MM136759;CON=CNNC(=O)NN;BFBMZQUVKNNLLJ-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136760;MM136760;CC(=O)CC1(O)CC1C;JVUFLCJZYUMPPC-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136761;MM136761;CC1CC1(O)CC(=N)N;ZUSIKSIQAZVLIN-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136762;MM136762;CC1CC1(O)CC(N)=O;HIBLUBPOZODWPC-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136763;MM136763;CCCc1nc(=N)o[nH]1;ABKCLDKWJYGEKU-UHFFFAOYSA-N;127.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136764;MM136764;C=C(F)CC1(O)CC1C;BYOMQGGXMCENBL-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136765;MM136765;C=C(C)CC1(O)CC1N;OISLJFCORJQXQF-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136766;MM136766;N=C(N)CC1(O)CC1N;IXZSGPDGJQDTFC-UHFFFAOYSA-N;129.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136767;MM136767;NC(=O)CC1(O)CC1N;VSJRYRPZGWDGRI-UHFFFAOYSA-N;130.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136768;MM136768;C=C(F)CC1(O)CC1N;IBNFRYUENUEKMB-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136769;MM136769;C=C(C)CC1(O)CC1O;NAUKZDXYORZQMF-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136770;MM136770;NC(=O)CC1(O)CC1O;XTOFTXVDGQHYPD-UHFFFAOYSA-N;131.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136771;MM136771;Cn1cc(F)c(O)nc1=O;PPCVYQHUOMISIG-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136772;MM136772;C=C(F)CC1(O)CC1O;FZLSOEULQKHPAZ-UHFFFAOYSA-N;132.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136773;MM136773;C=C(C)CC1(O)CC1F;MRKKBWRDTWZXGL-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136774;MM136774;C=C(F)CC1(O)CC1F;QZUOPADEHAYNFL-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136775;MM136775;C=C(C)CC1(F)CC1C;KIABJTVPRCVZLL-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136776;MM136776;CC(=O)CC1(F)CC1C;PZYANBRJJZDGBG-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136777;MM136777;CC1CC1(F)CC(=N)N;NSFAGKDSNPNOSE-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136778;MM136778;CC1CC1(F)CC(N)=O;DMDXFNOQFZUCQD-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136779;MM136779;CC1CC1(F)CC(=O)O;MWOBDQBNTQJZBT-UHFFFAOYSA-N;132.13;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136780;MM136780;C=C(F)CC1(F)CC1C;ZRALRXYLQIEHPK-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136781;MM136781;C=C(C)CC1(F)CC1N;MHMHICPPDFBFPH-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136782;MM136782;N=C(N)CC1(F)CC1N;CCELHSIRAOTPNU-UHFFFAOYSA-N;131.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136783;MM136783;C=C(F)CC1(F)CC1N;ZBISDKWXNSXEIX-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136784;MM136784;N#CC(C=O)C(=O)NC=O;LIFMYUJMOHQCQP-UHFFFAOYSA-N;140.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136785;MM136785;C=C(F)CC1(F)CC1O;FZPOORSZPZZBMN-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136786;MM136786;CC(=N)NC1(C)CC1C;YCSKCHWHIHKALH-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136787;MM136787;COCONC(=NO)NN;DOPIIIFCLJMMHM-UHFFFAOYSA-N;150.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136788;MM136788;CC1CC1(C)NC(=N)N;RSVOYIMJBJFRTI-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136789;MM136789;CC1CC1(C)NC(N)=O;QQDFLHFPUNTCJH-UHFFFAOYSA-N;128.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136790;MM136790;CC(=N)NC1(C)CC1N;ZDHUSQGOHPJEFG-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136791;MM136791;CC(=O)NC1(C)CC1N;VDTCKXMBCZBHQJ-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136792;MM136792;CC1(NC(=N)N)CC1N;YAWOTTJWVSYMIN-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136793;MM136793;CC1(NC(N)=O)CC1N;FXYZYEDEAWGEPL-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136794;MM136794;CC(=N)NC1(C)CC1O;MMLPCUCNVHTBRK-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136795;MM136795;CC(=O)NC1(C)CC1O;JHXIZRXAORDOOV-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136796;MM136796;CC1(NC(=N)N)CC1O;MFFQDSKXJKVZEB-UHFFFAOYSA-N;129.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136797;MM136797;CC1(NC(N)=O)CC1O;HTYYZPBNAUZPOR-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136798;MM136798;CC(=N)NC1(C)CC1F;NTAXEZTXBJWHKK-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136799;MM136799;CC(=O)NC1(C)CC1F;RMMCKJVMKDGTJA-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136800;MM136800;C=C(C)OC1(C)CC1C;OLEIXQIBEMCHGX-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136801;MM136801;CC(=O)OC1(C)CC1C;SZGPEBBKPSWXKH-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136802;MM136802;CC1CC1(C)OC(=N)N;LJXHFQXLJNDZHQ-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136803;MM136803;CC1CC1(C)OC(N)=O;VISCVJLNAGNGEV-UHFFFAOYSA-N;129.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136804;MM136804;C=C(C)OC1(C)CC1N;WACJJZSJYMUWON-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136805;MM136805;CC(=O)OC1(C)CC1N;ZAUUGZOJGNGNJR-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136806;MM136806;CC1(OC(=N)N)CC1N;DWLBESLLZFLPOD-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136807;MM136807;CC1(OC(N)=O)CC1N;NCIOUCRXIGDWDZ-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136808;MM136808;C=C(C)OC1(C)CC1O;OMTRZLWOSMWTKO-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136809;MM136809;CC(=O)OC1(C)CC1O;OSUIURYNIXFGPL-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136810;MM136810;CC1(OC(=N)N)CC1O;SXGXWVBYYAQHHG-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136811;MM136811;CC1(OC(N)=O)CC1O;QMIXVOVMOQCMOV-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136812;MM136812;C=C(C)OC1(C)CC1F;VEXOKBAHDGUQGZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136813;MM136813;CC1NC1(C)CC(=N)N;QULGYYPXCJCAEB-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136814;MM136814;C=C(C)CC1(C)OC1C;PHDTUOUZSJCWPG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136815;MM136815;CC(=O)CC1(C)OC1C;BXBBTNLFAHKVPU-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136816;MM136816;CC1OC1(C)CC(=N)N;NWGPPHIMZZSSPZ-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136817;MM136817;CC1OC1(C)CC(N)=O;CUDAHMIIWMMHJC-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136818;MM136818;O=c1[nH]c(=O)n(O)n1O;SSRYNUHEJFFRJE-UHFFFAOYSA-N;133.06;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136819;MM136819;C=C(F)CC1(C)OC1C;ONOQAYGGVYKMLU-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136820;MM136820;C=CN(OC)C(=O)NNC;LGUJBNJHCOKKMC-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136821;MM136821;CN1CC1(C)CC(=N)N;MVCSGMDNTRSPKN-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136822;MM136822;C=C(F)CC1(C)CN1C;XIJSHEAWLGGWCH-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136823;MM136823;CC1CC(C)(C(C)C)C1;PWXJRUNAGOTLNT-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136824;MM136824;CC(C)C1(C)CC(N)C1;SCLDCXIUNXBJND-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136825;MM136825;CCC(=NO)NC1CC1O;MALSNQQIWLPPAF-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136826;MM136826;CC(O)C1(C)CC(O)C1;UOYXUVGGTGJZSF-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136827;MM136827;CC(C)C1(C)CC(F)C1;LCPWFQCWDXPOBF-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136828;MM136828;CC(N)C1(C)CC(F)C1;XPHLHOPNWYYKJY-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136829;MM136829;CC1CC(N)(C(C)C)C1;VXFUEKSRRSCGGK-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136830;MM136830;CC1CC(N)(C(C)N)C1;KYVKCIGETATDIE-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136831;MM136831;CC(C)C1(N)CC(N)C1;JGTBUTRAFKYBQV-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136832;MM136832;CC(N)C1(N)CC(N)C1;GULNXYQNGLPACU-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136833;MM136833;CC(C)C1(N)CC(O)C1;JGFLJLUPXXAOTQ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136834;MM136834;CC(N)C1(N)CC(O)C1;CFHVXYHCUYHBCR-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136835;MM136835;CC(C)C1(N)CC(F)C1;XEMZQWLDFQSOIF-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136836;MM136836;CC(N)C1(N)CC(F)C1;ZHKSCYBGAORUBK-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136837;MM136837;CC(C)C1(F)CC(N)C1;WTGGICRLIWRTOC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136838;MM136838;CC(N)C1(F)CC(N)C1;CVGSWANSZGQERT-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136839;MM136839;CC(C)C1(F)CC(O)C1;OBHXNTCFQSEEIC-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136840;MM136840;CC1CC(C)(C(C)C)N1;MQQUUNCSSFMVTK-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136841;MM136841;CC1CC(C)(C(C)N)N1;KDZWCVLUIJJBBT-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136842;MM136842;CC1CC(C)(C(C)C)O1;KUZNZJUWHNMMJD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136843;MM136843;CC1CC(C)(C(C)N)O1;IKVQEQMVGBXXPR-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136844;MM136844;CC1CC(C)(N(C)C)C1;MEKHICUKBIHTJW-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136845;MM136845;CN(C)C1(C)CC(O)C1;LDOABQJXPYBIED-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136846;MM136846;CN(C)C1(C)CC(F)C1;ZAMGBLRPHFKYRC-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136847;MM136847;CC(C)C1(C)CN(C)C1;FBSHINWFRWZAPE-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136848;MM136848;CC(C)C1(N)CN(C)C1;KTBHIQOMMXPJOP-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136849;MM136849;CC(C)C1(F)CN(C)C1;WHVZGCRWBIUEMG-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136850;MM136850;CC(N)C1(F)CN(C)C1;SKXXMNXWPFELLZ-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136851;MM136851;CN1CC(C)(N(C)C)C1;OINNEWAQGURNFL-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136852;MM136852;C=C(C)C1(C)CC(C)C1;FFUQTNJWPAEBFA-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136853;MM136853;C=C(C)C1(C)CC(N)C1;CPPMDPNTBYTMCQ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136854;MM136854;CCNC1=CC(=NO)NC1;VDGGIZFSKCWRCZ-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136855;MM136855;CC(=O)C1(C)CC(O)C1;RKTVDPBPMDMVBQ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136856;MM136856;CC1(C(=N)N)CC(O)C1;ZNDUNUKYXOBSBB-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136857;MM136857;C=C(C)C1(C)CC(F)C1;FALKCOPFSOFGNL-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136858;MM136858;CC(=O)C1(C)CC(F)C1;YJIKTJCZQNWZCI-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136859;MM136859;CC1(C(=N)N)CC(F)C1;NBWUZADKGDMPRG-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136860;MM136860;C=C(C)C1(N)CC(C)C1;VYPOCLWTNAPHJB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136861;MM136861;CC1CC(N)(C(=N)N)C1;ZOWVOBPSBKBROT-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136862;MM136862;C=C(C)C1(N)CC(N)C1;HPTCKKFKQIZYGH-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136863;MM136863;C=C(C)C1(N)CC(O)C1;UHBBONRRIDNKRA-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136864;MM136864;C=C(C)C1(N)CC(F)C1;YXPDPBWWKUBYNU-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136865;MM136865;CCC1CC1C(=NO)NC;DARKUFNOUALZEW-UHFFFAOYSA-N;142.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136866;MM136866;CC1CC(O)(C(=N)N)C1;VONSKRSYOUPONP-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136867;MM136867;C=C(C)C1(O)CC(N)C1;YQBCEDFBKWYLIV-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136868;MM136868;N=C(N)C1(O)CC(N)C1;PMUWMNZCNYXALV-UHFFFAOYSA-N;129.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136869;MM136869;C=C(C)C1(O)CC(O)C1;LESVWCDMYXECQP-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136870;MM136870;C=C(C)C1(O)CC(F)C1;VNMFCYSFUQXFPY-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136871;MM136871;C=C(C)C1(F)CC(C)C1;KBLHWRVYXKIVEK-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136872;MM136872;C=C(C)C1(F)CC(N)C1;BOJFQNNUGXEGHK-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136873;MM136873;C=C(C)C1(F)CC(O)C1;LECFWEDGMAQAQF-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136874;MM136874;C=C(C)C1(F)CC(F)C1;MAVAUOWCFSNTEH-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136875;MM136875;C=C(C)C1(C)CC(C)N1;UVZXFRVCVHPLRD-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136876;MM136876;C=C(C)C1(C)CC(C)O1;RHZJXJVUNDPHSQ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136877;MM136877;CC1CC(C)(C(=N)N)O1;VMXUKDIDKGYBAT-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136878;MM136878;C=C(C)C1(C)CN(C)C1;VLXULBXTKOLDHT-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136879;MM136879;C=C(C)C1(N)CN(C)C1;RPFDCEFKDMRZCO-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136880;MM136880;CN1CC(N)(C(=N)N)C1;FCEAQQGUPLZJLC-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136881;MM136881;CN1CC(O)(C(=N)N)C1;WHFVCFMQNDRNSD-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136882;MM136882;C=C(C)C1(F)CN(C)C1;WIIDPJREGLBICZ-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136883;MM136883;CC(C)C1(C)CC(=O)C1;UUFXCJXBJZXCRR-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136884;MM136884;CC(C)C1(F)CC(=O)C1;ABKICSLXHVHVTB-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136885;MM136885;CC(C)C1(C)CC(=O)N1;TVESMOVZRSNGDF-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136886;MM136886;CC(N)C1(C)CC(=O)N1;KYSWSGGZZYWKCY-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136887;MM136887;CC(C)C1(C)CC(=O)O1;SSMUKAUYTNROHC-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136888;MM136888;CC(N)C1(C)CC(=O)O1;OMTIYZPUHFNHCP-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136889;MM136889;CN(C)C1(C)CC(=O)C1;RAZGMSJPDOZDBT-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136890;MM136890;C=C(C)C1(C)CC(=O)C1;AVMFUWFDIBKJTL-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136891;MM136891;CC(=O)C1(C)CC(=O)C1;RKURFHRBDRGGSA-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136892;MM136892;C=C(C)C1(F)CC(=O)C1;AJAFBNVAKMXZLS-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136893;MM136893;C=C(C)C1(C)CC(=O)N1;OSXXYGGOROUGQQ-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136894;MM136894;CC1(C(=N)N)CC(=O)N1;OVTMBATWCHFXEO-UHFFFAOYSA-N;127.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136895;MM136895;C=C(C)C1(C)CC(=O)O1;YUIRIKDWPWVOGO-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136896;MM136896;CC1(C(=N)N)CC(=O)O1;CMBYVKYPTWNVOW-UHFFFAOYSA-N;128.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136897;MM136897;CCCC1(C)CC1(C)N;WSMDIQYIIKXHFB-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136898;MM136898;CC1(N)CC1(C)CCN;HWKFJQVTORWZRF-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136899;MM136899;CC1(N)CC1(C)CCF;HIQUMTCLXOEQCO-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136900;MM136900;C#CC(C)C1CN1C=NO;AGTNEQZJJVQDDH-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136901;MM136901;CC1(O)CC1(C)CCO;SLKMXLFVPRGDFA-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136902;MM136902;CC1(O)CC1(C)CCF;ICOJDONGGNRBRI-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136903;MM136903;CCCC1(N)CC1(C)C;KGPYXFUMOBTYBW-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136904;MM136904;CNCC1(C)CC1(C)C;ACVCMUYLQJMGTD-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136905;MM136905;CNCC1(C)CC1(C)N;IKSPGODKPGRRHS-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136906;MM136906;CNCC1(C)CC1(C)O;KXHSDNJQDPAWBP-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136907;MM136907;CNCC1(N)CC1(C)C;FZWJUYJDZILMFG-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136908;MM136908;CNCC1(N)CC1(C)N;CLFVOCLXIDMHQP-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136909;MM136909;CNCC1(N)CC1(C)O;GTLYQYFHEGDTSK-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136910;MM136910;COCC1(N)CC1(C)O;HKHAPQXBCSQTJE-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136911;MM136911;CCNC1(C)CC1(C)C;ZTEKSFMQLSCJMP-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136912;MM136912;CCOC1(C)CC1(C)C;PTMNWQRNELBEDL-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136913;MM136913;CCOC1(C)CC1(C)O;PNPMYEAPPUFNMD-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136914;MM136914;CCOC1(C)CC1(C)F;WYHWHGQDMZBLBD-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136915;MM136915;CC1(C)NC1(C)CCN;WVFUOEKIHYRCRF-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136916;MM136916;CNCC1(C)NC1(C)C;XELNEUZVDXVNTR-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136917;MM136917;CC1(C)OC1(C)CCN;XVQWAROKZFFPSI-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136918;MM136918;CC1(C)OC1(C)CCO;RQZXEYPPWYCQDH-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136919;MM136919;CC1(C)OC1(C)CCF;UXMLQSCGRKTODT-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136920;MM136920;COCC1(C)OC1(C)C;ADIGESQCXSCEDY-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136921;MM136921;CC1CC1(C)C(C)(C)C;YQSGXUWFQIRRRO-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136922;MM136922;CC1CC1(C)C(C)(C)N;GVMRAFGKJRSNEK-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136923;MM136923;CC(C)(C)C1(C)CC1N;OHLKJWNMCHLPOY-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136924;MM136924;CC(C)(F)C1(C)CC1N;RINUDHPHKPXWBM-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136925;MM136925;CC=C1CCC(=NO)NC1;GPMRWQCMVGKKDG-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136926;MM136926;CC(C)(C)C1(C)CC1F;LZYCSVDBIRZEIO-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136927;MM136927;CC(C)(N)C1(C)CC1F;ILXIECCCBNTGBP-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136928;MM136928;CC(C)(O)C1(C)CC1F;DKDFNKOEYAPUEO-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136929;MM136929;CC1C(C)C1C(C)(C)C;IFQFQHWIUPYQHF-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136930;MM136930;CC1C(C)C1C(C)(C)N;ITSXKKJNFJXEIW-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136931;MM136931;C=C(F)CC(=O)NN;KNPRAZULQCVZFB-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136932;MM136932;CC1C(C)C1C(C)(C)F;YLZUQKNJLOUYDA-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136933;MM136933;CC1C(N)C1C(C)(C)C;ZVOFQWXKCVDIFM-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136934;MM136934;CC1C(N)C1C(C)(C)N;LNGYTBVMZXLEIZ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136935;MM136935;CC1C(N)C1C(C)(C)O;UGAUCYJWTNXVEV-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136936;MM136936;CC(C)=CC(C)=NO;CTLWEGCNQGNBFF-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136937;MM136937;CC1C(O)C1C(C)(C)N;DTDVRDSRYVUYEA-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136938;MM136938;CC1C(O)C1C(C)(C)O;HUPXIHYXGHTHEZ-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136939;MM136939;CC1C(O)C1C(C)(C)F;KWWWFIQTFYMBPW-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136940;MM136940;CC1C(F)C1C(C)(C)N;OCEUOKJJGSVFDP-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136941;MM136941;CC(C)(C)C1C(N)C1N;NRHBYDPLCJAVHK-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136942;MM136942;CC(C)(N)C1C(N)C1N;GABPDWVTEGCCKZ-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136943;MM136943;CC(C)(O)C1C(N)C1N;DTRXODBTCYZLIZ-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136944;MM136944;CC(C)(C)C1C(N)C1F;GQGOLDONKUJDJE-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136945;MM136945;CC1C(C(C)(C)N)N1C;DCUAYPAQMXWFKR-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136946;MM136946;CC1C(C(C)(C)F)N1C;UUPWKWBQXNXCLX-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136947;MM136947;CC1CC1CC(C)(C)C;FHVFDRVVDPURIR-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136948;MM136948;CC1CC1CC(C)(C)N;NTLRSICEGAPGJQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136949;MM136949;C=NNC(=O)CC(=C)C;YIDKLQUVSICYAZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136950;MM136950;CC1CC1CC(C)(C)F;BWIBHMAIYDGTCE-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136951;MM136951;CC1CC1CC(C)(F)F;RATVAJUPIWZUGF-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136952;MM136952;CC1CC1CC(F)(F)F;FIQRTCIEVHXLTC-UHFFFAOYSA-N;138.13;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136953;MM136953;CC(C)(C)CC1CC1N;BHMNIFHNRSGALX-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136954;MM136954;CC(C)(N)CC1CC1N;LXNFMZQXVBVTHE-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136955;MM136955;CC(C)(O)CC1CC1N;AHKVWAKQESLXCG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136956;MM136956;CC(C)(F)CC1CC1N;PEJWOTDHFOMGGG-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136957;MM136957;CC(F)(F)CC1CC1N;CVCUEKZZBIEVQR-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136958;MM136958;NC1CC1CC(F)(F)F;LLDKAZHSWFMSKI-UHFFFAOYSA-N;139.12;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136959;MM136959;C=C(C=O)CNC=NO;FCJKOWHYZZHWEJ-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136960;MM136960;CC(C)(N)CC1CC1O;QFXVUPHXEYVUCG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136961;MM136961;CC(C)(F)CC1CC1O;ULBJGBMNMXXTOF-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136962;MM136962;OC1CC1CC(F)(F)F;IGZLSZUGMPGYQA-UHFFFAOYSA-N;140.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136963;MM136963;CC(C)(C)CC1CC1F;FCZHLYZQXRTLOG-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136964;MM136964;CC(C)(N)CC1CC1F;KZXYYFMEJDUYPB-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136965;MM136965;CC(C)(O)CC1CC1F;FKSFVDVWBOJJDN-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136966;MM136966;CC(F)(F)CC1CC1F;PHEXMBJECNAMGO-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136967;MM136967;FC1CC1CC(F)(F)F;NCGYCFKHCLLUSN-UHFFFAOYSA-N;142.1;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136968;MM136968;CC1CC1NC(C)(C)C;RZQDPWMUXGTLQK-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136969;MM136969;CC(C)(C)NC1CC1N;CDKIQMDZRPYUCG-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136970;MM136970;CC(C)(C)NC1CC1O;QFXUNFMBUQTJSL-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136971;MM136971;CC1CC1OC(C)(C)C;UBIBSKVSSJMCQJ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136972;MM136972;CC(C)(C)OC1CC1N;HZZGHHFHBYCDDI-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136973;MM136973;CC(C)(C)OC1CC1F;TWLYDPQSNZHZAD-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136974;MM136974;CC1NC1CC(C)(C)N;HAZSRZPPRCFXFE-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136975;MM136975;CC1OC1CC(C)(C)C;JYFXTKBQBJNXCG-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136976;MM136976;CC1OC1CC(C)(C)N;MIZPFPGTKKAFFX-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136977;MM136977;CC1OC1CC(C)(C)O;MEKZPFVRBMJORE-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136978;MM136978;CC1OC1CC(C)(C)F;UIZDFNSJNBRODK-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136979;MM136979;CC1OC1CC(C)(F)F;JKKVPYCVSDPLDO-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136980;MM136980;CC1OC1CC(F)(F)F;JCCNTEAYGMXNHV-UHFFFAOYSA-N;140.1;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136981;MM136981;CN1CC1CC(C)(C)N;BZHLXHRDLVDXAD-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136982;MM136982;CN1CC1CC(C)(F)F;MMTLYKQMBPSXGN-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136983;MM136983;CN1CC1CC(F)(F)F;HEDOGIOTGUCOLQ-UHFFFAOYSA-N;139.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136984;MM136984;CC1CN1CC(C)(C)N;OLXAHMBGWWATBH-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136985;MM136985;CC1CN1CC(C)(C)F;ADRZTUSMNPCOBH-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136986;MM136986;CC1CN1CC(C)(F)F;AZEGCNHLKBPELE-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136987;MM136987;CC(C)C1CC(C)(C)C1;UJAIDPLEGIZHFJ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136988;MM136988;CC(N)C1CC(C)(C)C1;BMYCIMJFSWVVOI-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136989;MM136989;C#CC(=C)CNC=NO;LPRXDWVNLWEEMI-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136990;MM136990;CC(C)C1CC(C)(N)C1;CVZCHZPFBYQFIU-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136991;MM136991;CC(N)C1CC(C)(N)C1;HRTLDWHDIGYVML-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136992;MM136992;CC(O)C1CC(C)(N)C1;BGCLVJBVOBFQDF-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136993;MM136993;CC(F)C1CC(C)(N)C1;PGZOSTSCFVCNJV-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136994;MM136994;C=CCN(C=C)C=NO;GDIIGKYFOFUIBU-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136995;MM136995;CC(N)C1CC(C)(O)C1;RCVSPAOKMXDZNU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136996;MM136996;CC(O)C1CC(C)(O)C1;KDRWJDPGAYTWHN-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136997;MM136997;CC(C)C1CC(C)(F)C1;AQFVKTQRZQQWFA-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136998;MM136998;CC(N)C1CC(C)(F)C1;VAOCFJNDASBMGP-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM136999;MM136999;CC(O)C1CC(C)(F)C1;DGGYZWRLJFQCOR-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137000;MM137000;CC(C)C1CC(F)(F)C1;QLZLFUNYMKSXNZ-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137001;MM137001;CC(N)C1CC(F)(F)C1;MMMZCKISFQKEQO-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137002;MM137002;CC(F)C1CC(F)(F)C1;ZILCAJFMHFPURW-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137003;MM137003;CC(C)C1CC(C)(C)N1;NKUMCGOLHBLNLH-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137004;MM137004;CC(N)C1CC(C)(C)N1;JFSUXLFVHUJIIA-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137005;MM137005;CC(O)C1CC(C)(C)N1;FWNOBJKGHWLTTK-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137006;MM137006;CC(C)C1CC(C)(C)O1;YAVDXFCCWXFPIX-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137007;MM137007;CN(C)C1CC(C)(C)C1;CFLFEVBTRQQEET-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137008;MM137008;CN(C)C1CC(C)(N)C1;XHMLJJBZDTVPPQ-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137009;MM137009;CN(C)C1CC(C)(O)C1;GKXLYRDCYFTTSC-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137010;MM137010;CC(C)N1CC(C)(C)C1;NGZWGGZLNYXOLY-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137011;MM137011;CC(C)N1CC(C)(N)C1;HSJADFWXQDKRJM-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137012;MM137012;CC(C)N1CC(F)(F)C1;ZYBGAMKVRIXRDI-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137013;MM137013;C=C(C)C1CC(C)(C)C1;FGMVMPAODCKLBW-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137014;MM137014;CC(=O)C1CC(C)(C)C1;JPRAZNAXUBVXFT-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137015;MM137015;CC1(C)CC(C(=N)N)C1;HMOUBSJTICEIKS-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137016;MM137016;C=C(C)C1CC(C)(N)C1;PHBPNEIJKBYLSY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137017;MM137017;CC1(N)CC(C(=N)N)C1;CJDLJTMJRHMCRM-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137018;MM137018;CC(=NO)NNC1CC1;GWJPONWVJVJYIH-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137019;MM137019;CC(=O)C1CC(C)(O)C1;YLEGKMUTECCKIJ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137020;MM137020;CC1(O)CC(C(=N)N)C1;YQBBDHGPRBXYPJ-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137021;MM137021;CC1(O)CC(C(N)=O)C1;RTEFGZBPPIZAMF-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137022;MM137022;C=C(C)C1CC(C)(F)C1;NOOIRNFKVZBXMG-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137023;MM137023;CC(=O)C1CC(C)(F)C1;XUUMOSFAWWOKFG-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137024;MM137024;CC1(F)CC(C(=N)N)C1;NCBDFTSRVMMIBV-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137025;MM137025;CC1(F)CC(C(N)=O)C1;NXGLOQMSNMRZQH-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137026;MM137026;CC1(F)CC(C(=O)O)C1;ZABOQQDLGWHBIE-UHFFFAOYSA-N;132.13;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137027;MM137027;C=C(F)C1CC(C)(F)C1;VQNKVKWXHSFGOI-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137028;MM137028;C=C(C)C1CC(F)(F)C1;YERSNJPBJOHZAS-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137029;MM137029;CC(=O)C1CC(F)(F)C1;OUSRYRUBLFSMDC-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137030;MM137030;N=C(N)C1CC(F)(F)C1;DNVXNPQWTNCPRN-UHFFFAOYSA-N;134.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137031;MM137031;NC(=O)C1CC(F)(F)C1;VGWXCRGEZCMEJU-UHFFFAOYSA-N;135.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137032;MM137032;O=C(O)C1CC(F)(F)C1;PLRCVBKYFLWAAT-UHFFFAOYSA-N;136.1;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137033;MM137033;C=C(F)C1CC(F)(F)C1;JWNYMWRTJSHAGO-UHFFFAOYSA-N;136.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137034;MM137034;C=C(C)C1CC(C)(C)N1;IFLSWHSLDIRGFG-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137035;MM137035;CC(=O)C1CC(C)(C)N1;RDFWZNYPAJELNM-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137036;MM137036;C=C(C)C1CC(C)(C)O1;WBXQWGNTOLNTPE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137037;MM137037;CC(=O)C1CC(C)(C)O1;JBQKWGJWDIQUTH-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137038;MM137038;CC(=N)N1CC(C)(C)C1;SUFVETPFYWVLKD-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137039;MM137039;CC(=O)N1CC(C)(C)C1;VOQUUUYSLUVFOH-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137040;MM137040;CC1(C)CN(C(=N)N)C1;ORDPIEQGEIYXBV-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137041;MM137041;C#CC1CC1NC=NO;ZJGXJFPYPBCTIY-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137042;MM137042;CC(=N)N1CC(C)(N)C1;OGDAJRFAQRGNGA-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137043;MM137043;CC(=O)N1CC(C)(N)C1;XCKUMAQMLVFTAD-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137044;MM137044;CC1(N)CN(C(=N)N)C1;JEHJVFUXVKEGIG-UHFFFAOYSA-N;128.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137045;MM137045;CC1(N)CN(C(N)=O)C1;RXMZDABIBNEUIV-UHFFFAOYSA-N;129.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137046;MM137046;CC(=N)N1CC(C)(O)C1;HBFCZIZGOQSKQW-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137047;MM137047;CC(=O)N1CC(C)(O)C1;ASKACAPZOBZKNH-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137048;MM137048;CC1(O)CN(C(=N)N)C1;ATTFJRFTDBKWEE-UHFFFAOYSA-N;129.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137049;MM137049;CC1(O)CN(C(N)=O)C1;MIBXXEJHSVAOEA-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137050;MM137050;CC(=O)N1CC(C)(F)C1;VEMMIJUHTLIGIF-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137051;MM137051;CC1(F)CN(C(=N)N)C1;RKRFYLPBTWGGLP-UHFFFAOYSA-N;131.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137052;MM137052;CC1(F)CN(C(N)=O)C1;IFGPXYKDXHOVAT-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137053;MM137053;CC(=N)N1CC(F)(F)C1;MOTCJSBILASMEG-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137054;MM137054;CC(=O)N1CC(F)(F)C1;MSHDZPIKJUEOTB-UHFFFAOYSA-N;135.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137055;MM137055;N=C(N)N1CC(F)(F)C1;ZDVUKUUENRIMNL-UHFFFAOYSA-N;135.12;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137056;MM137056;NC(=O)N1CC(F)(F)C1;SBBKNQZYXLPIDK-UHFFFAOYSA-N;136.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137057;MM137057;CC1CC(C)(C)CC1C;OWHFMVURUNNXMJ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137058;MM137058;CC1CC(C)(C)CC1N;LLRZWSXMSSFZJM-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137059;MM137059;N=C(CC=C(F)F)NC=O;AYYORHFFFAICNU-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137060;MM137060;CC1CC(C)(C)CC1F;RIIYLGPCDFANRF-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137061;MM137061;CC1(C)CC(N)C(N)C1;YDYUEDHKVJNVNB-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137062;MM137062;CC1(C)CC(N)C(F)C1;PSKRRLBWRSLEJY-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137063;MM137063;CC1CC(C)(N)CC1C;ZCVFZHIEBJUHHP-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137064;MM137064;CC1CC(C)(N)CC1N;VCULFWOAEZSESU-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137065;MM137065;CC1CC(C)(N)CC1O;PZQMNVJWQFMTEI-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137066;MM137066;CC1CC(C)(N)CC1F;ZHLNBYQADZSAFP-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137067;MM137067;CC1(N)CC(N)C(N)C1;JBSQUAPUTRBUKZ-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137068;MM137068;C=NNC(=O)CC=C(C)C;ILXCVTRQWZMGOR-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137069;MM137069;CC1CC(C)(O)CC1N;JJRYNXDXSHGNET-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137070;MM137070;CC1CC(C)(O)CC1F;VQQCCZFHHGZUAU-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137071;MM137071;CC1(O)CC(N)C(O)C1;UJTJQDNVWJVWQK-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137072;MM137072;CC1(O)CC(O)C(O)C1;ZLMIBEJDHVPLQV-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137073;MM137073;CC1CC(C)(F)CC1C;FPVMVYIDEKAXNF-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137074;MM137074;CC1CC(C)(F)CC1N;VFRIQBUUVNCKDF-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137075;MM137075;CC1(F)CC(N)C(N)C1;CUOJSVKYCZVZMQ-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137076;MM137076;CC1(F)CC(O)C(O)C1;XXUJCUWMXOIREV-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137077;MM137077;CC1CC(F)(F)CC1C;LVAUHAXJPBKPBI-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137078;MM137078;CC1CC(F)(F)CC1N;CUAAOCSCFUSKNG-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137079;MM137079;CC1CC(F)(F)CC1O;GOYPTPJPYUWFII-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137080;MM137080;CC1CC(C)(C)NC1C;MQGFAUBGQNZZSO-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137081;MM137081;CC1NC(C)(C)CC1N;ITGJNVIGGIRBNH-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137082;MM137082;CC1NC(C)(C)CC1O;WHJYSZKCXLJYLB-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137083;MM137083;CC1NC(C)(C)CC1F;MZZGCOSCXFTOOT-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137084;MM137084;CC1CC(C)(C)OC1C;BXVMDVNFXWQUCD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137085;MM137085;CC1OC(C)(C)CC1N;VDXWVPWPORQGFX-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137086;MM137086;CC1OC(C)(C)OC1C;IWHKRVPYJLOGAW-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137087;MM137087;CC1CC(C)(C)CN1C;SBLPEVAOWNTSJP-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137088;MM137088;CC1CC(C)(N)CN1C;VIIOPMJGJRRFBL-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137089;MM137089;CC1CC(C)(O)CN1C;VQVGUCGJAROAPM-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137090;MM137090;CC1CC(C)(F)CN1C;STWHISRZGDVCFK-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137091;MM137091;CC1CC(F)(F)CN1C;UZWQMHPVOYAYCC-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137092;MM137092;C=C1CC(C)(C)CC1C;RHBQYWBHWJVTDN-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137093;MM137093;CC1CC(C)(C)CC1=O;OXTQEWUBDTVSFB-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137094;MM137094;C=C1CC(C)(C)CC1N;AWQRXXQMZZFPEW-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137095;MM137095;C=NNC(=O)CC(=C)CC;FNMKUPQBWRAMPP-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137096;MM137096;C=C1CC(C)(N)CC1C;AKRPHBLJPRCBAH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137097;MM137097;C=C1CC(C)(N)CC1N;QUAFXOMZTSZJQC-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137098;MM137098;C=CC(=C)CC(=O)NN=C;DWKMJHXQIJKABR-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137099;MM137099;CC1CC(C)(O)CC1=O;MKRUHTMTTNPXOZ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137100;MM137100;C=C1CC(C)(O)CC1N;YQZQGSLEGQUGNO-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137101;MM137101;C=C1CC(C)(F)CC1C;WDLPGRQGSYYAMZ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137102;MM137102;CC1CC(C)(F)CC1=O;GDGVSFINSTWTHL-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137103;MM137103;C=C1CC(C)(F)CC1N;AZSVMIMCAXHNQB-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137104;MM137104;C=C1CC(C)(F)CC1O;GREIXSKDLOBBQN-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137105;MM137105;C=C1CC(F)(F)CC1C;IERCPWUPTDYKBI-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137106;MM137106;CC1CC(F)(F)CC1=O;CQIOUVAUHAJQLF-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137107;MM137107;CC1CC(C)(C)NC1=N;IGIVRUQYQTWSKK-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137108;MM137108;CC1CC(C)(C)NC1=O;JJXUKXQTFKDOSH-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137109;MM137109;CC1(C)CC(N)C(=N)N1;JEMWZCFEGVOJIU-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137110;MM137110;CC1(C)CC(O)C(=N)N1;UTIVUQKHTGJKKM-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137111;MM137111;CC1(C)CC(O)C(=O)N1;XRVSMTBVYYJYKS-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137112;MM137112;C=C1OC(C)(C)CC1C;RDSMOMAZKHWDCT-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137113;MM137113;CC1CC(C)(C)OC1=O;MERKSIJKRHUJNG-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137114;MM137114;C=C1OC(C)(C)CC1N;HURSTQFBXGDEIU-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137115;MM137115;C=C1OC(C)(C)CC1O;QBEDOYSJYJSJEV-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137116;MM137116;C=C1CC(C)(C)NC1C;ZSXRIPXTCZAOIR-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137117;MM137117;C=C1CC(C)(C)OC1C;BALFUVSDOFAKDE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137118;MM137118;CC1OC(C)(C)CC1=O;IPVABZOEFKUFHY-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137119;MM137119;C=C1OC(C)(C)OC1C;WAALNYKQMBHTQB-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137120;MM137120;CC1OC(C)(C)OC1=O;ZIGSKLATJCEJNN-UHFFFAOYSA-N;130.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137121;MM137121;CN1CC(C)(C)CC1=N;NEDGOPPTCUYYTL-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137122;MM137122;CN1CC(C)(C)CC1=O;HKKXNXXYFVGHSZ-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137123;MM137123;CC1(C)CC(=N)N(N)C1;YRQQICXJUAURHH-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137124;MM137124;CC1(C)CC(=O)N(N)C1;ZFTUEICLHNKYLW-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137125;MM137125;CC1(C)CC(=N)N(O)C1;ATUFFHYDOQVHAL-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137126;MM137126;CN1CC(C)(N)CC1=N;YDKCPSBXOCGUIK-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137127;MM137127;CN1CC(C)(N)CC1=O;GCLBRGJJSCVLMH-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137128;MM137128;CC1(N)CC(=N)N(O)C1;MMQSDTQBVAWHPJ-UHFFFAOYSA-N;129.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137129;MM137129;CN1CC(C)(O)CC1=N;UBQNRFUMDCGTJH-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137130;MM137130;CN1CC(C)(O)CC1=O;HUZKERNJHZHDKU-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137131;MM137131;CC1(O)CC(=N)N(N)C1;XAKQBGIQCHMPLY-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137132;MM137132;CC(CF)CN(C)C=NO;IWWVKHYFTSWCTM-UHFFFAOYSA-N;148.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137133;MM137133;CN1CC(C)(F)CC1=N;PNIYDLMZPRNMMB-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137134;MM137134;CN1CC(C)(F)CC1=O;YSHOINUUKJVFCZ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137135;MM137135;CC1(F)CC(=N)N(N)C1;XTBNFBLJVFBKDV-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137136;MM137136;C=NNC(=O)CC(C)=CC;WYGGJLFXNMOSHI-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137137;MM137137;CN1CC(F)(F)CC1=N;AHKTWUPRRXMRBX-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137138;MM137138;CN1CC(F)(F)CC1=O;HJIVUYLZPQTTQY-UHFFFAOYSA-N;135.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137139;MM137139;CC(F)=CN(N)C(=O)NN;OVGDXQWQLMAMGR-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137140;MM137140;CCCC(=NO)NN(C)C;WMOXYDIRZIUSKU-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137141;MM137141;CN1CC(C)(C)NC1=N;PSFIOSRNUOLLLQ-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137142;MM137142;CN1CC(C)(C)NC1=O;ZVILQWFOIJIXJS-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137143;MM137143;CC1(C)CN(N)C(=N)N1;XDXSLMZNJLWDFS-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137144;MM137144;CC1(C)CCC(=NO)CC1;IJGLUXGAALWDOQ-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137145;MM137145;CC1(C)CN(O)C(=N)N1;QNAZVHNIXCKAAO-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137146;MM137146;CC1(C)CN(O)C(=O)N1;MEBLFUUBYVTGSN-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137147;MM137147;CN1CC(C)(C)OC1=N;VSVKBBPCESIDTP-UHFFFAOYSA-N;128.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137148;MM137148;CN1CC(C)(C)OC1=O;FIFQWCKXIHBTEB-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137149;MM137149;CC1(C)CN(N)C(=O)O1;HNPRJGLPAACLHV-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137150;MM137150;NNC(=O)CCC(F)=CF;JOJPPORABPQSQP-UHFFFAOYSA-N;150.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137151;MM137151;CN1NC(C)(C)CC1=N;FFEPXRXTWZDNIQ-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137152;MM137152;CN1NC(C)(C)CC1=O;BGWPROWXPRTCTA-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137153;MM137153;CN1OC(C)(C)CC1=N;PBTSCLJIMANYPX-UHFFFAOYSA-N;128.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137154;MM137154;CN1OC(C)(C)CC1=O;PHGBPFNQLOSDMA-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137155;MM137155;CN1OC(C)(C)OC1=N;SDURLKIRGSAYFV-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137156;MM137156;CN1OC(C)(C)OC1=O;GRSUDDGXOKXRFD-UHFFFAOYSA-N;131.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137157;MM137157;C=C1CC(C)(C)CC1=C;HDLZTIXGWDWYST-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137158;MM137158;C=C1CC(C)(C)CC1=O;RHTXURYUVVGTCG-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137159;MM137159;CC1(C)CC(=O)C(=O)C1;PSGKTTJGRIVWRN-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137160;MM137160;C=C1CC(C)(N)CC1=C;WUVAQQBOYLCEMF-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137161;MM137161;CCC(=NO)NC(C)C=O;KWTHYELEMJRLSE-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137162;MM137162;C=C1CC(C)(O)CC1=O;AKSQGRJKEXKISM-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137163;MM137163;CC1(O)CC(=O)C(=O)C1;LRCFIAQNVZZVKE-UHFFFAOYSA-N;128.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137164;MM137164;C=C1CC(C)(F)CC1=C;LPUPULTYVBDSGD-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137165;MM137165;C=C1CC(C)(F)CC1=O;GOKLGVYUYQZLOT-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137166;MM137166;CC1(F)CC(=O)C(=O)C1;NCRPDDUIWMGRIC-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137167;MM137167;C=C1CC(F)(F)CC1=C;HRLZZNPBPRZZSS-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137168;MM137168;C=C1CC(F)(F)CC1=O;AAPJXRNXDFJXFH-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137169;MM137169;O=C1CC(F)(F)CC1=O;WHESLLSMWMIAKR-UHFFFAOYSA-N;134.08;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137170;MM137170;C=C1CC(C)(C)NC1=N;FDSFOGQLIGBFCJ-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137171;MM137171;C=C1CC(C)(C)NC1=O;MWCXFAZRURQVTI-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137172;MM137172;CC1(C)CC(=O)C(=N)N1;DKOLPEUIUIHLSW-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137173;MM137173;CC1(C)CC(=O)C(=O)N1;JKRWKTVGKVDBDF-UHFFFAOYSA-N;127.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137174;MM137174;C=C1CC(C)(C)OC1=C;ZZCPWLGIUQPZFX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137175;MM137175;C=C1CC(C)(C)OC1=O;YYSDNLZCJQMZCZ-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137176;MM137176;C=C1OC(C)(C)CC1=O;VCLYBCWHURRAAP-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137177;MM137177;CC1(C)CC(=O)C(=O)O1;MWSKELZDTDBDPQ-UHFFFAOYSA-N;128.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137178;MM137178;C=C1OC(C)(C)OC1=C;BAWTXMMJEOOVHY-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137179;MM137179;C=C1OC(C)(C)OC1=O;JWFFCQDHGQWOCO-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137180;MM137180;CC1(C)OC(=O)C(=O)O1;VHTMOXIHQWSWAN-UHFFFAOYSA-N;130.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137181;MM137181;CC1=CC(C)(C)CC1C;ZBDWBQAUABLLCV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137182;MM137182;CC1CC(C)(C)C=C1F;ZFIZLEQBNZHWCE-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137183;MM137183;CC1=CC(C)(C)CC1N;VSICLJLDAJDNLB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137184;MM137184;CC1(C)C=C(F)C(N)C1;MWZAOPSKXYVBSW-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137185;MM137185;C#CC(C)(O)C#CC1CN1;GIMJFQWZSLEUHA-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137186;MM137186;CC1=CC(C)(N)CC1C;FLIWUVQWNJRZGU-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137187;MM137187;CC1CC(C)(N)C=C1F;RFRVIXMTNYEOPH-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137188;MM137188;CC1=CC(C)(N)CC1N;URKUSGVLCBQRLU-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137189;MM137189;CC1(N)C=C(F)C(N)C1;KVNKBVAVFBIBAI-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137190;MM137190;CC1=CC(C)(N)CC1O;VIVGMEQJVODLQX-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137191;MM137191;C=C(C(C)=NO)C(C)CC;PRHPJJGSGCCRTJ-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137192;MM137192;CC1CC(C)(O)C=C1F;KCLDRNVSRBIOCR-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137193;MM137193;CC1=CC(C)(O)CC1N;QMKLMAAOEBCYST-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137194;MM137194;CC1=CC(C)(O)CC1O;CUWATEYWKZJXLO-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137195;MM137195;CC1=CC(C)(F)CC1C;UVAPFYDSVIDUAK-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137196;MM137196;CC1CC(C)(F)C=C1F;JZVQRLQKGFQEEK-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137197;MM137197;CC1=CC(C)(F)CC1N;ZUTUXVSOKCTONJ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137198;MM137198;CC1=CC(C)(F)CC1O;PANWWOCUMFRQTI-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137199;MM137199;CC1=CC(F)(F)CC1C;WTDFRSQJXXUXPO-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137200;MM137200;CC1CC(F)(F)C=C1F;CGWBSTCYOSSDMQ-UHFFFAOYSA-N;136.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137201;MM137201;CC1=CC(F)(F)CC1N;RCMMZGZKOYFGHS-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137202;MM137202;CC1=CC(C)(C)NC1C;IQTOAKUKKISGBN-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137203;MM137203;CC1NC(C)(C)C=C1F;JFPUMMWXOMSLOF-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137204;MM137204;CC1=CC(C)(C)OC1C;MZKNVRZVMBMKMG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137205;MM137205;CC1OC(C)(C)C=C1F;CHQIEZUSHAMBII-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137206;MM137206;CC1=NC(C)(C)CN1C;TXRPVJGDQAJTLH-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137207;MM137207;C=C1CC(C)(C)C=C1C;IMYFHLSUPISWBR-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137208;MM137208;C=C1CC(C)(C)C=C1F;CPLGWHRRBWLLDN-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137209;MM137209;CC1=CC(C)(C)CC1=O;XDJBXCQPXSFIML-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137210;MM137210;CC1(C)C=C(F)C(=O)C1;SDECCNXNARINFT-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137211;MM137211;C=C1CC(C)(N)C=C1C;GYJFCXNHXUYZJU-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137212;MM137212;C=C1CC(C)(N)C=C1F;OBYMZVOBLPTROR-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137213;MM137213;N=C(NC=NN)C(=O)NN;MIDYJYNBVMAYHY-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137214;MM137214;C=C1CC(C)(O)C=C1F;MVNSWRVHNSMDGM-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137215;MM137215;CC1=CC(C)(O)CC1=O;DMKAODSQBLEHFE-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137216;MM137216;CC1(O)C=C(F)C(=O)C1;TVIYXJNQPQHTPK-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137217;MM137217;C=C1CC(C)(F)C=C1C;BOTQLEUOQSFSFH-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137218;MM137218;C=C1CC(C)(F)C=C1F;HWNAEYOZAWZJSC-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137219;MM137219;CC1=CC(C)(F)CC1=O;UBUDMEGYLJWBGS-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137220;MM137220;CC1(F)C=C(F)C(=O)C1;NDRFRCWVBWLATP-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137221;MM137221;C=C1CC(F)(F)C=C1C;LTPGCIZOBOFYBY-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137222;MM137222;C=C1CC(F)(F)C=C1F;OOZLOJOURVMMGL-UHFFFAOYSA-N;134.1;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137223;MM137223;CC1=CC(F)(F)CC1=O;LCJIBLWZPUBERE-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137224;MM137224;O=C1CC(F)(F)C=C1F;WQEBJSQZVCWKSN-UHFFFAOYSA-N;136.07;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137225;MM137225;CC1=CC(C)(C)NC1=N;WXMCOYHSHAOIGA-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137226;MM137226;CC1=CC(C)(C)NC1=O;ICJWQYASVMBUHL-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137227;MM137227;CC1(C)C=C(F)C(=O)N1;JVBQNUZZXLBJBY-UHFFFAOYSA-N;129.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137228;MM137228;C=C1OC(C)(C)C=C1C;WJKGLIDFOAUMMB-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137229;MM137229;C=C1OC(C)(C)C=C1F;ZAZWFCIFMLLCQI-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137230;MM137230;CC1=CC(C)(C)OC1=O;OAVLYQLCBORARJ-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137231;MM137231;CC1(C)C=C(F)C(=O)O1;UAAOVPCYWJUTSF-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137232;MM137232;CC1=CC(C)(C)C=C1C;PARKBEFQZLHEDZ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137233;MM137233;CC1=CC(C)(C)C=C1F;XMKKKLGGLOBJJG-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137234;MM137234;CC1(C)C=C(F)C(F)=C1;SHAUUMLNWRHWMS-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137235;MM137235;CC1=CC(C)(N)C=C1C;HKMZZZAYIJBPNC-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137236;MM137236;CC1=CC(C)(N)C=C1F;HGRRZGIXUHINBF-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137237;MM137237;N=CN=CN(N)C(=O)NN;YKGWLECZNGPHKV-UHFFFAOYSA-N;144.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137238;MM137238;CC1=CC(C)(O)C=C1F;NPHWGVQHHUSLSD-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137239;MM137239;CC1=CC(C)(F)C=C1C;YIPZVHQTCSWMDF-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137240;MM137240;CC1=CC(C)(F)C=C1F;IFQJVCNGRPAIPG-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137241;MM137241;CC1=CC(F)(F)C=C1C;FZTGQFNYWAMASD-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137242;MM137242;CC1=CC(F)(F)C=C1F;ANNBTZOIMZYICW-UHFFFAOYSA-N;134.1;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137243;MM137243;CC1=C(C)CC(C)(C)C1;NOZQIIOHDFVATK-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137244;MM137244;CC1=C(F)CC(C)(C)C1;IKSRDDMEEVQBBJ-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137245;MM137245;CC1=C(C)CC(C)(N)C1;DODOASWVEALUDW-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137246;MM137246;CC1=C(F)CC(C)(N)C1;WULUAJAGPKFUQW-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137247;MM137247;C#CC=CC(O)C(=O)NN;JQLFVZJDASTYEU-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137248;MM137248;CC1=C(F)CC(C)(O)C1;DBDVIBOIYRDLFO-UHFFFAOYSA-N;130.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137249;MM137249;CC1=C(C)CC(C)(F)C1;SDHIXORCHAMQCX-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137250;MM137250;CC1=C(F)CC(C)(F)C1;OUWQXQWWWHQBIR-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137251;MM137251;CC1=C(C)CC(F)(F)C1;DBMIYEWNVVTKIW-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137252;MM137252;CC1=C(F)CC(F)(F)C1;OLKYYEUMFHGITH-UHFFFAOYSA-N;136.12;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137253;MM137253;CC1=C(C)OC(C)(C)C1;YTXNDVVREXNQGB-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137254;MM137254;CC1=C(F)CC(C)(C)O1;ROHDEBAVSOLNHJ-UHFFFAOYSA-N;130.16;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137255;MM137255;CC1=C(C)OC(C)(C)O1;FTMHOIXGENAJBF-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137256;MM137256;CC(C)C1(C)CC1(C)C;PLGPQJCERORQKZ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137257;MM137257;C=C(CF)CCNC=NO;UBPRMUOPERPSRY-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137258;MM137258;CC(C)C1(C)CC1(C)F;CAPDDSQWJJOBEM-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137259;MM137259;CN(C)C1(C)CC1(C)C;KRRAYTAKNJOPJT-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137260;MM137260;CC(C)C1(C)OC1(C)C;UNLRSEGYTKVXMK-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137261;MM137261;CC1(C)CC(N)C1(C)C;SYSNESLVXVCHJQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137262;MM137262;O=CNNCCC(F)=CF;BYUBUHIJVMWXGB-UHFFFAOYSA-N;150.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137263;MM137263;CC1(C)CC(F)C1(C)C;VTQVKEORIANJQA-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137264;MM137264;CC1(N)CC(F)C1(C)C;UAJVPGGMQDBMSH-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137265;MM137265;CC1(O)CC(F)C1(C)C;UCGQPBXRRNABBP-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137266;MM137266;CC1NC(C)(C)C1(C)C;MTOAMUWSQJRSML-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137267;MM137267;CC1OC(C)(C)C1(C)C;OTAQHIIEAFAPLK-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137268;MM137268;CN1CC(C)(C)C1(C)C;NSGBSIIGLVPANP-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137269;MM137269;CN1CC(C)(N)C1(C)C;AGEINOGHJOHWGI-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137270;MM137270;CC1(C)CC(=O)C1(C)C;FLWOPBVTWAAMFT-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137271;MM137271;CC1(O)CC(=O)C1(C)C;ZLRGLNMEDMFQFS-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137272;MM137272;CC1(C)NC(=O)C1(C)C;GSSQLMMZAQIQFT-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137273;MM137273;CC1(C)OC(=O)C1(C)C;VOBXGRUVMYAPIL-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137274;MM137274;C=CCNNC(CC)=NO;QJAASSUXIINRFA-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137275;MM137275;CC1(N)CC2CC2(N)C1;PLCDOCDGAWPLMX-UHFFFAOYSA-N;126.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137276;MM137276;CC1(O)CC2CC2(N)C1;VYUGZBGQVKROIJ-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137277;MM137277;C=CC=CNC(CC)=NO;XBFCVMFRRBFYHN-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137278;MM137278;CC1(N)CC2CC2(O)C1;XEZVXGTWPZMFIH-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137279;MM137279;CC1(O)CC2CC2(O)C1;SHQVNKFWOAAALQ-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137280;MM137280;CC1(F)CC2CC2(O)C1;QXPPQKZACUDXDH-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137281;MM137281;CC1(C)CC2CC2(F)C1;ACORYEYYZPFPFY-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137282;MM137282;CC1(N)CC2CC2(F)C1;FVJQLLDKNWOOAT-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137283;MM137283;CC1(O)CC2CC2(F)C1;ALWNHPOUCBWCRL-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137284;MM137284;CC1(F)CC2CC2(F)C1;HSLBDUSDFMIFPF-UHFFFAOYSA-N;132.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137285;MM137285;FC1(F)CC2CC2(F)C1;JMJPHLWVRCXLAN-UHFFFAOYSA-N;136.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137286;MM137286;CC1(C)CC2(C)CC2N1;NCXIMHREYJOYNV-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137287;MM137287;CC1(C)CC2(O)CC2N1;JSXFFTMXLCUEPX-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137288;MM137288;CC1(C)CC2(F)CC2N1;UCLHHTXTINSDRD-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137289;MM137289;CC1(C)CC2CC2(C)N1;QUHVNMNJFOEAHA-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137290;MM137290;CC1(C)CC2CC2(C)O1;NIWSGTBEGFKLPH-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137291;MM137291;CC1(C)OC2CC2(C)O1;AVNNVGTVCRNODB-UHFFFAOYSA-N;128.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137292;MM137292;CC1(N)CC2NC2(C)C1;JQOVOBSKADWCJX-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137293;MM137293;CC1(N)CC2OC2(C)C1;CLEMUYXQQPIYBY-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137294;MM137294;CC1(O)CC2OC2(C)C1;SUGSOUKCNRPREK-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137295;MM137295;C=C1CNC(=NO)C=C1N;MIYKXOSEMXGCPJ-UHFFFAOYSA-N;139.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137296;MM137296;CC12CC(C1)C(C)(N)C2;GKJSAYZRUQXXCM-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137297;MM137297;CC12CC(C1)C(F)(F)C2;VQPJYVPBTPLVRS-UHFFFAOYSA-N;132.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137298;MM137298;CC1(C)CC2(N)CC1C2;WHHNONZXWDSJHH-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137299;MM137299;CC1(N)CC2(N)CC1C2;MSBFOMPTRQPFRC-UHFFFAOYSA-N;126.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137300;MM137300;CC1(O)CC2(N)CC1C2;FFKIHRAZJMKRAE-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137301;MM137301;CC1(F)CC2(N)CC1C2;FAMDMRGCHXMWKX-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137302;MM137302;NC12CC(C1)C(F)(F)C2;RIHFKGYSPWSERQ-UHFFFAOYSA-N;133.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137303;MM137303;CC1=C(C)CC(=NO)CC1;RPSSVDNIPKEZRN-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137304;MM137304;CC1(N)CC2(O)CC1C2;BVKTWQYIPWAQGW-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137305;MM137305;CC1(O)CC2(O)CC1C2;HPUQTSJMODWBIV-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137306;MM137306;CC1(F)CC2(O)CC1C2;YGRCYUVRNCYSHU-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137307;MM137307;OC12CC(C1)C(F)(F)C2;AARVQRAOPMSVLW-UHFFFAOYSA-N;134.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137308;MM137308;CC12CC(C1)C(C)(C)O2;YLKDFVGNHGMJDR-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137309;MM137309;CC12CC(N1)C(C)(C)C2;CLFBXKIWLNONKB-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137310;MM137310;CC12CC(N1)C(C)(N)C2;IZXCRNQILNVXIW-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137311;MM137311;CC12CC(N1)C(C)(O)C2;CEWNPXLVRKAATP-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137312;MM137312;CC12CC(N1)C(C)(F)C2;QPSOBVISWAPEOJ-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137313;MM137313;CC12CC(O1)C(C)(C)C2;NCNNANVKXPWFEC-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137314;MM137314;CC12CC(O1)C(C)(N)C2;KHZRSWFRWCOLOZ-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137315;MM137315;CC12CC(O1)C(C)(O)C2;PRVNYRMYXMHHHS-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137316;MM137316;CC12CC(O1)C(C)(F)C2;UCKLWMNXXANZBJ-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137317;MM137317;CC12CN(C1)C(C)(C)C2;GHAWYIDACSFRSI-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137318;MM137318;NC1CC2(N)CC1(N)C2;WWMXRVWVMNEWLH-UHFFFAOYSA-N;127.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137319;MM137319;NC1CC2(O)CC1(N)C2;DSJZPYISTYXYNM-UHFFFAOYSA-N;128.18;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137320;MM137320;Cc1cn(O)c(C)n1;QSGWYYKHFVJUJG-UHFFFAOYSA-N;112.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137321;MM137321;CC12CC(N)C(O)(C1)C2;CFHAXLKTHIYAOW-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137322;MM137322;NC1CC2(N)CC1(O)C2;NNALBUPBFYWGNS-UHFFFAOYSA-N;128.18;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137323;MM137323;CC1CC2(O)CC1(O)C2;PMKCEIHVEXOKTQ-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137324;MM137324;CC1CC2(N)CC1(F)C2;USLVCHADEUOPNP-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137325;MM137325;CC1CC2(O)CC1(F)C2;JVHIFDDRRLQBPG-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137326;MM137326;CC1NC2(C)CC1(C)C2;MDJQSFYULKQYEN-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137327;MM137327;CC1NC2(C)CC1(O)C2;XQUUKGNTPFXMSY-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137328;MM137328;CC1OC2(C)CC1(O)C2;MJENAVXLNOFCMN-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137329;MM137329;CC1CC2(C)CC1(C)N2;HZSSSUMCWZQYKX-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137330;MM137330;CC12CC(N)C(C)(C1)N2;PEQIYNOIHWBFLY-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137331;MM137331;CC1CC2(C)CC1(C)O2;MYCRPSBECBKPIP-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137332;MM137332;CC12CC(N)C(C)(C1)O2;QEZFERWEAAWTGC-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137333;MM137333;C=C1CC2(C)CC1(C)C2;VOXBJBQZBHBXFT-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137334;MM137334;CC12CC(=O)C(C)(C1)C2;MGVPOBOJORRJIJ-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137335;MM137335;C=C1CC2(N)CC1(C)C2;CVCHLXBNYVBGBT-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137336;MM137336;C=NNC(=O)C1CC1;SMTGRZCSPJJSJE-UHFFFAOYSA-N;112.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137337;MM137337;CC12CC(O)(CC1=O)C2;OYAQPPYRAVBVSS-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137338;MM137338;C=C1CC2(F)CC1(C)C2;AQJJMBMACUAUHA-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137339;MM137339;CC12CC(F)(CC1=O)C2;KBJAXZNLTRIDLI-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137340;MM137340;C=C1CC2(C)CC1(N)C2;RLJRPIKHOYUTRS-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137341;MM137341;C=C1CC2(N)CC1(N)C2;UDEYRIBSTPVIEG-UHFFFAOYSA-N;124.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137342;MM137342;C=C1CC2(O)CC1(N)C2;RBTDEVCXGSFZEI-UHFFFAOYSA-N;125.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137343;MM137343;C=C1CC2(F)CC1(N)C2;SGHOBMPGVOGMFD-UHFFFAOYSA-N;127.16;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137344;MM137344;CCC(C)=CC(C)=NO;BZRFLEFVCZNXBL-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137345;MM137345;CC12CC(=O)C(O)(C1)C2;SBKTXYXHJUGILD-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137346;MM137346;C=C1CC2(N)CC1(O)C2;HTOOIEHMAGVEQF-UHFFFAOYSA-N;125.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137347;MM137347;C=C1CC2(O)CC1(O)C2;CANZYVFLNRDYKI-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137348;MM137348;C=C1CC2(F)CC1(O)C2;IEGQNTITBLQNDJ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137349;MM137349;C=C1CC2(C)CC1(F)C2;AZZOQBGGCGXATO-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137350;MM137350;C=C1CC2(N)CC1(F)C2;YKMNINDJNQEFJX-UHFFFAOYSA-N;127.16;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137351;MM137351;C=C1CC2(O)CC1(F)C2;AMUWVTBAWRPLPY-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137352;MM137352;C=C1CC2(F)CC1(F)C2;XFKAAMZUIMENQC-UHFFFAOYSA-N;130.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137353;MM137353;CC12CC(C)(C1)C(=N)N2;OVHMQPDPQQZHMK-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137354;MM137354;CC12CC(C)(C1)C(=O)N2;GPCRWYRYAZWYEE-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137355;MM137355;CC12CC(N)(C1)C(=N)N2;KZNSCCFQKORGNI-UHFFFAOYSA-N;125.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137356;MM137356;CC12CC(O)(C1)C(=N)N2;AKMNMULBXPFRAK-UHFFFAOYSA-N;126.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137357;MM137357;CC12CC(O)(C1)C(=O)N2;RLYOEHGTOJOFTE-UHFFFAOYSA-N;127.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137358;MM137358;C=C1OC2(C)CC1(C)C2;BKXXYKLWPKCONT-UHFFFAOYSA-N;124.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137359;MM137359;CC12CC(C)(C1)C(=O)O2;RCQGTDSJOAPAJQ-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137360;MM137360;C=C1OC2(C)CC1(N)C2;GIGFZEIWEBXNOC-UHFFFAOYSA-N;125.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137361;MM137361;C=C1OC2(C)CC1(O)C2;VCVKZDXMUJBFNJ-UHFFFAOYSA-N;126.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137362;MM137362;C=C1OC2(C)CC1(F)C2;ZAYFLBFILODYSJ-UHFFFAOYSA-N;128.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137363;MM137363;C=C1CC2(C)CC1(C)N2;OYBAKPBGONOVMC-UHFFFAOYSA-N;123.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137364;MM137364;C=C1CC2(C)CC1(C)O2;HNIIXTQKFHXXSC-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137365;MM137365;CC12CC(=O)C(C)(C1)O2;LETZRGXGHDVCKN-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137366;MM137366;CC1=CC2(C)CC1(C)C2;PIZLTMQGRPVFLQ-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137367;MM137367;CC12C=C(F)C(C)(C1)C2;RHIWQIUIWMPNBU-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137368;MM137368;CC1=CC2(N)CC1(C)C2;CRMFHBFRIBHJJB-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137369;MM137369;CC12CC(N)(C=C1F)C2;RZTQVLYKWHPXTG-UHFFFAOYSA-N;127.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137370;MM137370;CC(=O)NC(=NO)NN;CRUQOLAEORCKSO-UHFFFAOYSA-N;132.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137371;MM137371;CC12CC(O)(C=C1F)C2;QCVVWKFUBPFGBX-UHFFFAOYSA-N;128.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137372;MM137372;CC1=CC2(F)CC1(C)C2;NHPOTKFZHFOHBB-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137373;MM137373;CC1=CC2(C)CC1(N)C2;GBNIHDMDTADUPE-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137374;MM137374;CC12C=C(F)C(N)(C1)C2;KWNVJEOKPGXDKK-UHFFFAOYSA-N;127.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137375;MM137375;CC1=CC2(N)CC1(N)C2;YWZZJEUZNMJNKC-UHFFFAOYSA-N;124.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137376;MM137376;CC1=CC2(O)CC1(N)C2;NOFRCTKSEJUTDQ-UHFFFAOYSA-N;125.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137377;MM137377;CC1=CC2(F)CC1(N)C2;XATMFCGUPRHEJQ-UHFFFAOYSA-N;127.16;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137378;MM137378;C=NNC(=O)C(C)CC;ORBCQEMFTVUJIV-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137379;MM137379;CC1=CC2(N)CC1(O)C2;INIWPPNMCMWABQ-UHFFFAOYSA-N;125.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137380;MM137380;CC1=CC2(O)CC1(O)C2;FYXUYKLVXNKKPQ-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137381;MM137381;CC1=CC2(F)CC1(O)C2;HNTNPBXGMQABIF-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137382;MM137382;CC1=CC2(C)CC1(F)C2;HUFDWIDVIHBRPT-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137383;MM137383;CC1=CC2(N)CC1(F)C2;GQYSOIZKMGBAPI-UHFFFAOYSA-N;127.16;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137384;MM137384;CC1=CC2(O)CC1(F)C2;PNGOXMNANPZGFE-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137385;MM137385;CC1=CC2(F)CC1(F)C2;BQNUXHAEYJPVOO-UHFFFAOYSA-N;130.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137386;MM137386;CC1=CC2(C)CC1(C)N2;AVBRXHAVAZGPMU-UHFFFAOYSA-N;123.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137387;MM137387;CC1=CC2(C)CC1(C)O2;MTZWYQWFDKYAJR-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137388;MM137388;N=c1nc(F)oc(=N)[nH]1;CIZMRXFGQKBPJQ-UHFFFAOYSA-N;130.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137389;MM137389;Cn1c(N)c(F)n(O)c1=O;HHIODTZGXGEXPY-UHFFFAOYSA-N;147.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137390;MM137390;Nc1n[nH]c(=O)c(=O)[nH]1;ULVGUWOZUWSDDU-UHFFFAOYSA-N;128.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137391;MM137391;N#Cc1cc(=O)n(O)o1;DJMYOHYZAGLTGQ-UHFFFAOYSA-N;126.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137392;MM137392;Cn1nnc(=N)c(=O)n1O;CXFBZGOCYGWBAS-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137393;MM137393;COC1(C)CC(=O)NO1;WDEJRTKXLHYFKR-UHFFFAOYSA-N;131.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137394;MM137394;Cc1oc(F)c(N)c1O;DHJWPXMSJFHUJI-UHFFFAOYSA-N;131.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137395;MM137395;CCC(C)OC(C#N)=NO;FFBZNAYDRBZYIY-UHFFFAOYSA-N;142.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137396;MM137396;CC(C)C#CC(C#N)=NO;YHVXLRUZNMMPPK-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137397;MM137397;COCC(C=O)=NO;KCCOGTGVTSZBKJ-UHFFFAOYSA-N;117.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137398;MM137398;CCCc1nn[nH]n1;JAHCQVVOKAFXQU-UHFFFAOYSA-N;112.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137399;MM137399;O=c1nc(O)oc(=O)[nH]1;TYWNQLNRLUVYTH-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137400;MM137400;O=c1nc(F)oc(=O)[nH]1;VKQWVZMGSWWAEL-UHFFFAOYSA-N;132.05;-1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137401;MM137401;N=c1[nH]c(N)cc(=O)o1;RJTBZFPPRSYPPL-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137402;MM137402;Cc1cc(=O)oc(=O)[nH]1;OIAKGMHQBFLCTH-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137403;MM137403;Nc1cc(=O)oc(=O)[nH]1;FWXKFTABVTUJBY-UHFFFAOYSA-N;128.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137404;MM137404;NC(=O)COC(CF)=NO;WOWUJOPGVNBPKM-UHFFFAOYSA-N;150.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137405;MM137405;C#Cc1nc(F)c(F)[nH]1;BROBUSFKWGMKED-UHFFFAOYSA-N;128.08;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137406;MM137406;Nc1on(O)c2ncnc1-2;JEQUGDMUEZWZNO-UHFFFAOYSA-N;140.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137407;MM137407;ON=CC(O)C(F)=CF;HOLCJYLHGUVPSB-UHFFFAOYSA-N;137.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137408;MM137408;Cc1cc(=N)oc(=N)[nH]1;CVRPAJMBYZELMS-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137409;MM137409;CC1CC2(C)CC2(C)C1;AZHUDLUHICHLKT-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137410;MM137410;CC12CC(N)CC1(C)C2;OYBHSXRZLRBTDE-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137411;MM137411;CC12CC(F)CC1(C)C2;MDOWVQNBFVWWII-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137412;MM137412;CC1CC2(C)CC2(N)C1;ZLBJTABESPWWEY-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137413;MM137413;CC12CC(N)CC1(N)C2;UPZPWXPDDGLRJF-UHFFFAOYSA-N;126.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137414;MM137414;CC12CC(O)CC1(N)C2;NKIBIWRJCRQKLX-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137415;MM137415;CC1=CCC(=NO)CC1;CGEBOUYJUFIYDK-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137416;MM137416;CC1CC2(C)CC2(C)N1;YHDYUWKTSDTCCC-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137417;MM137417;CC1CC2(N)CC2(C)N1;PERKXSQJPDEXSQ-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137418;MM137418;CC1CC2(C)CC2(C)O1;LUDFXDGDGFEANU-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137419;MM137419;CC1CC2(N)CC2(C)O1;YKQRPZUICWJTRM-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137420;MM137420;CC1OC2(C)CC2(C)O1;KHDVHAUASGMEND-UHFFFAOYSA-N;128.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137421;MM137421;CN1CC2(C)CC2(C)C1;HARHXZJRXZQRTA-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137422;MM137422;CN1CC2(C)CC2(N)C1;GFNXJUOFCFUDIO-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137423;MM137423;CC12CC(N)CC1(C)N2;SHCQSWQYNNSWTB-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137424;MM137424;CC1CC2(C)OC2(C)C1;XUUHSYGKFSLJGJ-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137425;MM137425;CC12CC(N)CC1(C)O2;WDIXLUNYCIWLDF-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137426;MM137426;CC12CC(O)CC1(C)O2;GHAOFKZYIZNOSY-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137427;MM137427;CC12CC(F)CC1(C)O2;ITVBBWLKXXFTLT-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137428;MM137428;CCC(C)C(C)(C)CC;ARWOOWBJJKVYOV-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137429;MM137429;CCC(C)(C)C(C)CN;JJGZRVKRVJNXLW-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137430;MM137430;CC(F)(F)CNC(=O)NN;YGBBMGSTQCJTPI-UHFFFAOYSA-N;153.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137431;MM137431;CCC(C)(C)C(C)CF;DLXUUIZBUHVIRX-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137432;MM137432;CCC(C)C(C)(C)CN;LKWNFWHMPUIBJU-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137433;MM137433;CC(CN)C(C)(C)CN;WLGHZRSYOGQBFO-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137434;MM137434;CC(CO)C(C)(C)CN;OMCVDJQZAAJOJW-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137435;MM137435;CC(CN)C(C)(C)CF;IBCYGWQNQPBJTQ-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137436;MM137436;CC(CO)C(C)(C)CF;GWDGEQVZKJZMDT-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137437;MM137437;CCC(C)(C)C(N)CN;KEKGXPVQOZQYJU-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137438;MM137438;CCC(C)(C)C(N)CO;PTZVUPLNOOPNOT-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137439;MM137439;CCC(N)C(C)(C)CN;JLDKMVRQOYZKSC-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137440;MM137440;CC(C)(CN)C(N)CN;YWWQMDUAZXGEFO-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137441;MM137441;CC(C)(CN)C(N)CO;YGDFGLZKZDWDMN-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137442;MM137442;CC(C)(CN)C(N)CF;GENYJQXUTGXEPP-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137443;MM137443;CC(C)(CO)C(N)CF;URLBEPGFCBSTTC-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137444;MM137444;CC(C)(CF)C(N)CN;MPKNEIVPXNAXSG-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137445;MM137445;CC(C)(CF)C(N)CF;ULCCDGHTZJMCTQ-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137446;MM137446;CCC(C)(C)C(O)CN;WUJQURVPELOPJI-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137447;MM137447;CCC(C)(C)C(O)CO;UCQPOIGHGOBFCU-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137448;MM137448;CCC(O)C(C)(C)CN;AVKBAQUTHXGPKE-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137449;MM137449;CC(C)(CN)C(O)CN;LZZOVPVEFKIMOX-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137450;MM137450;CC(C)(CN)C(O)CF;BOGAEXSAUMZFGX-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137451;MM137451;CCC(O)C(C)(C)CO;QHDADHHODABHLK-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137452;MM137452;CC(C)(CF)C(O)CN;QXSONJCIGRJUBQ-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137453;MM137453;CCC(F)C(C)(C)CN;DYEZEPKIJKCXAK-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137454;MM137454;CC(C)(CN)C(F)CN;HJCPNFOQZYQABD-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137455;MM137455;CC(C)(CN)C(F)CF;KUZAYJYVTPCXFN-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137456;MM137456;CC(C)(CF)C(F)CN;NUHAVSDZAPBWEN-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137457;MM137457;CC(C)(CF)C(F)CF;ULKQBFMKQWJLAH-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137458;MM137458;CCC(C)C(C)(N)CC;JQMSGUMNTPWARX-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137459;MM137459;CCC(C)(N)C(C)CN;IIKZVYPOBOIPEE-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137460;MM137460;CCC(C)(N)C(C)CO;RUWUIOIZWMYKEV-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137461;MM137461;CCC(C)(N)C(C)CF;GENLZQNCLISJNZ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137462;MM137462;CCC(C)C(C)(N)CN;CKSRIGBJKHZVJP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137463;MM137463;CC(CN)C(C)(N)CF;NZVBDGOKZIUJTO-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137464;MM137464;CCC(C)(N)C(N)CF;ITOUPLRRKSJZDQ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137465;MM137465;CC(N)(CN)C(N)CO;FQXRGVYXGTVCEX-UHFFFAOYSA-N;133.2;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137466;MM137466;CC(N)(CO)C(N)CO;OIJLCYSRTPSEJK-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137467;MM137467;CCC(O)C(C)(N)CC;ORESTMIOTHFKOV-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137468;MM137468;CC(N)(CO)C(O)CN;DYHNNXKIYUSBPP-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137469;MM137469;CC(N)(CO)C(O)CO;RMQVJRKZYXQBTE-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137470;MM137470;CC(=CC(C)=NO)C(C)C;SYIOOPZWCCPFSM-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137471;MM137471;CCC(C)(O)C(C)CN;GHSWLEPAIVTIEU-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137472;MM137472;CCC(C)(O)C(C)CO;RBNLKEZJTWJUAY-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137473;MM137473;CCC(C)(O)C(C)CF;AONYOMXJELBCFX-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137474;MM137474;CC(CF)C(C)(O)CN;QVPPCHLHVXABJW-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137475;MM137475;CC(CO)C(C)(O)CO;HZKDCIIBWLTRHO-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137476;MM137476;CC(CN)C(C)(O)CF;VSOIIGQMXNBIQO-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137477;MM137477;CC(O)(CO)C(N)CN;DCAZIZCOORIYMX-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137478;MM137478;CCC(O)C(C)(O)CC;ZKOHOMNDHMAYRX-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137479;MM137479;CCC(O)C(C)(O)CO;AHFMIUJCBUIHCI-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137480;MM137480;CC(O)(CO)C(O)CN;IQVAQUZOESVSKW-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137481;MM137481;CC(O)(CO)C(O)CF;CFAZEFWFXQCTBR-UHFFFAOYSA-N;138.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137482;MM137482;CCC(C)(O)C(F)CO;JWPBJBAYORPETP-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137483;MM137483;CCC(F)C(C)(O)CO;TXBGHVSJKIVNOJ-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137484;MM137484;CCC(C)(F)C(C)CN;DWTLJUHRPADXLU-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137485;MM137485;CC(CN)C(C)(F)CN;FIQFUJVMZWGJTM-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137486;MM137486;CC(CO)C(C)(F)CN;UXVJKJCULQNTQK-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137487;MM137487;CC(CN)C(C)(F)CO;FJRVVUGGRBRIFZ-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137488;MM137488;CC(CN)C(C)(F)CF;QLRLYCFXQXMNRV-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137489;MM137489;CC(F)(CF)C(O)CO;IJJMSOKZZSISNC-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137490;MM137490;C=CC(=C)CN(N)C=NO;NTBHZPPYCGKEJX-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137491;MM137491;NCC(O)C(F)(F)CO;LIZPFALNHRHYHA-UHFFFAOYSA-N;141.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137492;MM137492;NCC(O)C(F)(F)CF;PFSSHPCZQYSTMP-UHFFFAOYSA-N;143.11;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137493;MM137493;CCC(C)(C)C(C)NC;GTTOVKJXMALRJZ-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137494;MM137494;CNC(C)C(C)(C)CF;QIFQIHXOHYGYJP-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137495;MM137495;CNC(C)C(C)(N)CF;XXPPBTOTZBAOIT-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137496;MM137496;CCC(C)(O)C(C)NC;LNUFWNGBXJUOLB-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137497;MM137497;CCC(C)(F)C(C)NC;SYTZNLUVANLNDA-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137498;MM137498;CCC(C)(C)C(C)OC;SYNXHJXFZFKUKL-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137499;MM137499;COC(C)C(C)(C)CN;LIDPRCIGNRQJAE-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137500;MM137500;CCC(C)(N)C(C)OC;QVKFZJRYDBJOTA-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137501;MM137501;COC(C)C(C)(N)CN;FICCECZVNBNTDY-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137502;MM137502;COC(C)C(C)(F)CN;BVZGPBKMWIBQBR-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137503;MM137503;CCC(C)C(C)(C)NC;KKNBJNGUVWORGY-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137504;MM137504;CNC(C)(C)C(C)CN;OZVICCADCALFNA-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137505;MM137505;CNC(C)(C)C(C)CO;ZGWOQZFFRJSROA-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137506;MM137506;CNC(C)(C)C(C)CF;RLBFZLLRURRDCX-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137507;MM137507;CCC(N)C(C)(C)NC;BPXAKBZIEJENKT-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137508;MM137508;CNC(C)(C)C(N)CN;BHAAEPOYRFHIMG-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137509;MM137509;CNC(C)(C)C(N)CO;NCFKSEBQTQVNNC-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137510;MM137510;CNC(C)(C)C(N)CF;RHCDDIHRGUHNPH-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137511;MM137511;CCC(O)C(C)(C)NC;NWJSECWOZKLQEJ-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137512;MM137512;CNC(C)(C)C(O)CN;WEULNYZHCBWFCA-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137513;MM137513;CNC(C)(C)C(F)CN;KSLMHRFCRVRKFA-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137514;MM137514;CNC(C)C(C)(C)NC;AAYQLESQZODDLQ-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137515;MM137515;CNC(C)(C)C(C)OC;GVZZURLKSPVCDL-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137516;MM137516;CCC(C)C(C)(C)OC;YJYBCKXPIQHVKB-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137517;MM137517;COC(C)(C)C(C)CN;PAIXORZOCUARHW-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137518;MM137518;COC(C)(C)C(C)CO;RCUONLJFOLCNES-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137519;MM137519;CCC(N)C(C)(C)OC;ITZJHWADXFKUPP-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137520;MM137520;CCC(O)C(C)(C)OC;BNDAMEKERFAUEN-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137521;MM137521;CNC(C)C(C)(C)OC;IFFCYGPQTUBFLB-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137522;MM137522;COC(C)C(C)(C)OC;JZHIJURQSGWECR-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137523;MM137523;CCN(C)C(C)(C)CC;CGUJPOFYCZJARL-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137524;MM137524;CCN(C)C(C)(C)CN;CSGYGWFTUJILNJ-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137525;MM137525;C=CC(C)C(C)(C)CC;NQEGOFMVZAXUHA-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137526;MM137526;CCC(C)(C)C(C)C=O;ODHBKWSAOQQBPE-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137527;MM137527;CCC(C)(C)C(C)C#N;KHTWPOSHYAHCQW-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137528;MM137528;C=CC(C)C(C)(C)CN;ODYSVFDTUFVHPX-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137529;MM137529;CC(C=O)C(C)(C)CO;OCIUBIOHYVQWIJ-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137530;MM137530;CC(C=O)C(C)(C)CF;KJJUYYXYRZSAOY-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137531;MM137531;CC(C#N)C(C)(C)CF;AWBUOLHWDOWCPJ-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137532;MM137532;C=CC(N)C(C)(C)CF;CXQPSQSNXGMMPQ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137533;MM137533;CCC(C)(C)C(O)C=O;KLNHPNXNKSZOST-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137534;MM137534;CCC(C)(C)C(O)C#N;ZXCJLSQCZMMXHS-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137535;MM137535;C=CC(O)C(C)(C)CO;ZAVXOVSJAHSKLQ-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137536;MM137536;CCC(C)(C)C(F)C#N;LQVRKKLUQCEHGX-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137537;MM137537;C=CC(C)C(C)(N)CC;GRANPOQTGOMJGV-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137538;MM137538;C=CC(N)C(C)(N)CO;DRMDODWZXVAXTG-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137539;MM137539;N=CNC(=O)C=C(N)CF;AWGPWSYAHYZDNK-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137540;MM137540;CCC(C)(O)C(C)C=O;POZGHWZYBUVYQR-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137541;MM137541;C=CC(C)C(C)(O)CO;KHSDWASLNCPEGJ-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137542;MM137542;C=CC(C)C(C)(O)CF;ZNLLEVKLEIVEGK-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137543;MM137543;C=CC(N)C(C)(O)CF;CBIZFBDUBYYTMQ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137544;MM137544;CCC(C)(O)C(O)C=O;ATXPAAVLDHQVQG-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137545;MM137545;CC(O)(CO)C(O)C=O;HTPZSALIZDTBIL-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137546;MM137546;C=CC(O)C(C)(O)CF;VVTQJLWMGPUJGL-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137547;MM137547;CCC(C)(O)C(F)C#N;LTMFOOPDFAKWDY-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137548;MM137548;C=CC(C)C(C)(F)CF;OUNQAHLHXWSONZ-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137549;MM137549;CC(F)(CF)C(O)C=O;HDVXLQYIINMQMU-UHFFFAOYSA-N;138.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137550;MM137550;C=CC(O)C(F)(F)CC;FLVKGBYLQDQHRO-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137551;MM137551;CCC(F)(F)C(O)C=O;WMCXPNKKAYKWAR-UHFFFAOYSA-N;138.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137552;MM137552;N#CC(O)C(F)(F)CF;ZXMYJORDAKXWPH-UHFFFAOYSA-N;139.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137553;MM137553;C=CC(C)C(C)(C)NC;QLZUNLUSUORNFI-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137554;MM137554;CNC(C)(C)C(C)C=O;ITKSJSCXWITTGJ-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137555;MM137555;CNC(C)(C)C(O)C=O;SGAIUEXIPLWDFG-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137556;MM137556;C=CC(C)C(C)(C)OC;UIKQYTBUXGMKAJ-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137557;MM137557;COC(C)(C)C(C)C=O;ZBAYNNDGEKGNBY-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137558;MM137558;C=CC(O)C(C)(C)OC;CXQGMNUWNVGPNO-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137559;MM137559;COC(C)(C)C(O)C=O;XECYDDGBUQJEAZ-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137560;MM137560;COC(C)(C)C(F)C#N;JEOMIKBCEYWIQC-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137561;MM137561;CCC(C)(C)N(C)C=N;KAVDQGLUVIHFAN-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137562;MM137562;CCC(C)(C)N(C)C=O;GCFIBYAEVBGKOX-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137563;MM137563;CN(C=N)C(C)(C)CN;NJVLEFAAGYMZBQ-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137564;MM137564;CCC(C)(C)N(N)C=N;ANKAQDSRABKPDV-UHFFFAOYSA-N;129.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137565;MM137565;CC(C)(CF)N(N)C=N;AFGNLDAAFYQNLX-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137566;MM137566;CC(C)(CF)N(N)C=O;KGICKNMKOYUQJM-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137567;MM137567;C=NN(C)C(C)(C)CF;XWTNTJBNLJUFJK-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137568;MM137568;C#CC(C)C(C)(C)CC;DLURNDADMRPTGD-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137569;MM137569;C#CC(C)C(C)(C)CN;ZEOORORXILBQBP-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137570;MM137570;C=CC=CCN(N)C=NO;SENWCTGAINLIIC-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137571;MM137571;C#CC(N)C(C)(C)CC;JACSSPOWUJTNNS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137572;MM137572;C#CC(N)C(C)(C)CN;GTLSYUWLRIWIBG-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137573;MM137573;C#CC(N)C(C)(C)CF;SRQPIFFANZZWRI-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137574;MM137574;C#CC(O)C(C)(C)CC;IEDHFVWUUPTWNT-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137575;MM137575;C#CC(O)C(C)(C)CF;YANGODATWYZIKQ-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137576;MM137576;C#CC(F)C(C)(C)CC;JJRKVDFOFRMHGY-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137577;MM137577;C#CC(F)C(C)(C)CN;LWAPXERAUFDXAP-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137578;MM137578;C#CC(C)C(C)(N)CC;KGYHEISXAHXGOM-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137579;MM137579;C#CC(C)C(C)(N)CN;NKYMJDIHUVONMI-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137580;MM137580;C#CC(N)C(C)(N)CN;YVUACPMPXAYDFZ-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137581;MM137581;C#CC(N)C(C)(N)CO;JYGRWYXTXFHHFF-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137582;MM137582;C#CC(O)C(C)(N)CN;ZJFIUXIPIGALGV-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137583;MM137583;C#CC(O)C(C)(N)CO;ZZCGHBZAZXNRHE-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137584;MM137584;C#CC(F)C(C)(N)CC;JZLVCWYROYRTEK-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137585;MM137585;C=NNC(=O)C(=C)C=NN;PQNIIUGAOIRKDJ-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137586;MM137586;C#CC(C)C(C)(O)CO;COJHKSAGHHISAB-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137587;MM137587;C#CC(C)C(C)(O)CF;IPVJQLLJJRBAEY-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137588;MM137588;C#CC(O)C(C)(O)CN;RWAXPLSMXUFWRY-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137589;MM137589;C#CC(F)C(C)(O)CC;RTZVYLZOLRTWPX-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137590;MM137590;C#CC(C)C(C)(F)CN;GJAOMTINTOTPCE-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137591;MM137591;C#CC(C)C(C)(C)NC;XLFCLNOAQWSFTC-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137592;MM137592;C#CC(N)C(C)(C)NC;XVFFPWJOWUCEBJ-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137593;MM137593;C#CC(O)C(C)(C)NC;KHCPVOMFAYBYCQ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137594;MM137594;C#CC(F)C(C)(C)NC;SBIYLXYWVARGBY-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137595;MM137595;C#CC(C)C(C)(C)OC;DATMMTZLJDXKIL-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137596;MM137596;C=CC(C)(C)C(C)CC;MUWQJQBJSIEIFP-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137597;MM137597;C=CC(C)(C)C(C)CN;UDAIOKQSMWWKQA-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137598;MM137598;CNC(C#N)C(O)C(N)=O;ZMYGUNAPHOZGDO-UHFFFAOYSA-N;143.15;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137599;MM137599;C=CC(C)(C)C(C)CF;HCFWVHOCPQMBOI-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137600;MM137600;CCC(C)C(C)(C)C=O;MOQZOFRBCXGWSI-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137601;MM137601;CCC(C)C(C)(C)C#N;OBUNXJYSQKJXSQ-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137602;MM137602;CC(CO)C(C)(C)C=O;HJPGKETWHJNZHF-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137603;MM137603;CC(CO)C(C)(C)C#N;IJWCGVRCLMBDIR-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137604;MM137604;CC(CF)C(C)(C)C=O;IBGXUJLZSFDFAO-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137605;MM137605;CC(CF)C(C)(C)C#N;TYUHPBNNTFTVBK-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137606;MM137606;C=CC(C)(C)C(N)CC;AVIVQVCLCBMVAQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137607;MM137607;C=CC(C)(C)C(N)CF;RFTCWKZHHZHKMU-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137608;MM137608;C=NNC(=O)C(C)C(C)C;IWTLQXARMGSSGU-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137609;MM137609;C=CC(C)(C)C(O)CO;DYHBYGPMUIAUJA-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137610;MM137610;CCC(O)C(C)(C)C=O;XSWKVZHUQMBIEH-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137611;MM137611;CCC(O)C(C)(C)C#N;LDQMITPBMPAOOK-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137612;MM137612;CC(C)(C#N)C(O)CO;ILDSUWILBSCKLI-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137613;MM137613;C=CC(C)(C)C(F)CN;FINZQOHCUSBMEH-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137614;MM137614;C=CC(C)(N)C(C)CC;FXJGJPRLAJPVES-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137615;MM137615;C=CC(C)(N)C(C)CO;RYOWVPZWGVHEHK-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137616;MM137616;C=CC(C)(N)C(N)CN;OLKJCRJYLSALKM-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137617;MM137617;C=CC(C)(N)C(O)CF;PNSNZCWGEWTHGB-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137618;MM137618;C=C(CC)CC(=NO)NC;BPVXSAYYCPMUFR-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137619;MM137619;C=CC(C)(O)C(C)CN;URSYEIDFYIFZHB-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137620;MM137620;C=CC(C)(O)C(C)CF;HZXZIQAOFQYUGE-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137621;MM137621;CCC(C)C(C)(O)C=O;NQYCOZGPHRZXCS-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137622;MM137622;CCC(C)C(C)(O)C#N;JNGSVWLDGMEMDD-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137623;MM137623;CC(CO)C(C)(O)C=O;ZALKLGATDXECTK-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137624;MM137624;C=CC(C)(O)C(N)CF;MCGYECMNDJZWEE-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137625;MM137625;CCC(O)C(C)(O)C=O;YREWZOBZAFMMDX-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137626;MM137626;CCC(O)C(C)(O)C#N;ZTWBKMAPSNKEMX-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137627;MM137627;CC(O)(C=O)C(O)CO;ZKDSJDSEVDWBAC-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137628;MM137628;CC(O)(C#N)C(O)CF;GHGYEDSHLCQYHJ-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137629;MM137629;C=CC(C)(F)C(C)CN;ASXJWIWTYFVZED-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137630;MM137630;CCC(C)C(C)(F)C#N;IMDUKSBAAHGMFR-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137631;MM137631;CC(CF)C(C)(F)C#N;RMLCSDUXUVTJJW-UHFFFAOYSA-N;133.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137632;MM137632;C=CC(C)(F)C(N)CN;JKBYDVYKBQPDDB-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137633;MM137633;C=CC(F)(F)C(C)CN;MSMMUOJSWBLYQL-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137634;MM137634;C=CC(C)(C)C(C)NC;QLDAXJGLSHBFOQ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137635;MM137635;CNC(C)C(C)(C)C=O;WEPZDALKNPLYQI-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137636;MM137636;C=CC(C)(O)C(C)NC;WADVUYHUXMPQMS-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137637;MM137637;C=CC(C)(C)C(C)OC;QAKWKTBIHOEIFG-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137638;MM137638;COC(C)C(C)(C)C=O;KFSFVWOEHWHEPD-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137639;MM137639;COC(C)C(C)(C)C#N;DIQQLJCACVRUGM-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137640;MM137640;C=CC(C)(N)C(C)OC;SSNUVCILDBDKQE-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137641;MM137641;C=CC(C)(O)C(C)OC;IEBSFBPUTRTTJX-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137642;MM137642;COC(C)C(C)(O)C=O;JKUHFVLHWYMTCS-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137643;MM137643;COC(C)C(C)(F)C=O;YQLMHPDXSQWHQK-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137644;MM137644;COC(C)C(F)(F)C=O;PCINAQKXMGKYMH-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137645;MM137645;COC(C)C(F)(F)C#N;YCIOHABVPPGHCU-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137646;MM137646;C=CC(C)(C)N(C)CC;PYLVHFSLNFBFMR-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137647;MM137647;CCN(C)C(C)(C)C#N;DKMNYWONIJXSDC-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137648;MM137648;C=CC(C)C(C)(C)C=C;TZHIMJGXTPKCGD-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137649;MM137649;C=CC(C)(C)C(C)C=O;FXUJDZUKZCYJRH-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137650;MM137650;C=CC(C)(C)C(C)C#N;JRNXTNLQKDJRJF-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137651;MM137651;C=CC(C)C(C)(C)C=O;CGJMHDFLIGBWTA-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137652;MM137652;C=CC(C)C(C)(C)C#N;ZMRNEIONAXDYCP-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137653;MM137653;CC(C=O)C(C)(C)C=O;DXZAVHXQYIYJJB-UHFFFAOYSA-N;128.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137654;MM137654;CC(C=O)C(C)(C)C#N;RVSPKCSXMOTBME-UHFFFAOYSA-N;125.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137655;MM137655;C=CC(N)C(C)(C)C=C;SSABROSEBUMZHN-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137656;MM137656;C=CC(C)(C)C(O)C#N;BQEWDFJKJHSYCK-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137657;MM137657;C=CC(O)C(C)(C)C#N;NVHIMDDGDACOAG-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137658;MM137658;C=CC(F)C(C)(C)C=C;NJAFJSUXKMKYDY-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137659;MM137659;C=CC(C)(C)C(F)C#N;PVIYFPBNVSVXHO-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137660;MM137660;CC(C)(C=O)C(F)C#N;FCTYGUOYXHXKCR-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137661;MM137661;CC(C)(C#N)C(F)C#N;GKBUVFXFJCKYSC-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137662;MM137662;C=CC(C)C(C)(N)C=C;XYQXLDAZAPYJEZ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137663;MM137663;C=CC(O)C(C)(N)C=C;DMESYCRCZPELBP-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137664;MM137664;CC=C(C)CC(=NO)NC;QBSQUISJGVJSOZ-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137665;MM137665;C=CC(C)C(C)(O)C=O;STXSLCKYEIQLPX-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137666;MM137666;CC(C=O)C(C)(O)C#N;AMZPJRIMBGXUED-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137667;MM137667;C=CC(N)C(C)(O)C=C;DRBNWEDEKKUUKH-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137668;MM137668;C=CC(C)(O)C(O)C=O;USRVCVHCHKBDKY-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137669;MM137669;C=CC(O)C(C)(O)C#N;MDOUILNARYVNMD-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137670;MM137670;C=CC(C)(O)C(F)C#N;FHERZBITPQGYSN-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137671;MM137671;C=CC(C)(F)C(C)C#N;FKDNUAICQPHVAW-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137672;MM137672;C=CC(C)C(C)(F)C=O;BTACMMCSWCXRQT-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137673;MM137673;CC(C=O)C(C)(F)C#N;PIARFVOBCBMXHO-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137674;MM137674;C=CC(O)C(C)(F)C=O;CISQDXYIZOSTRN-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137675;MM137675;CC(C=O)C(F)(F)C#N;CFPFLPBOVJALDS-UHFFFAOYSA-N;133.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137676;MM137676;C=CC(F)(F)C(O)C=O;DHZWWTJBALIGMG-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137677;MM137677;C=CC(F)(F)C(O)C#N;LHZUIOTWPUQMAI-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137678;MM137678;C=CC(O)C(F)(F)C#N;JZCRAUZIBREQKB-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137679;MM137679;N#CC(F)C(F)(F)C#N;DSPACHBFHMXHPN-UHFFFAOYSA-N;134.06;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137680;MM137680;C=CC(C)(C)N(C)C=N;AAOSYEALFHPGSA-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137681;MM137681;C=CC(C)(C)N(C)C=O;ATVIWXHWKPFWFG-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137682;MM137682;C=CC(C)(C)N(N)C=N;OYPJRXCLINKTCN-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137683;MM137683;C=CC(C)(C)N(N)C=O;HLUFDTJQORAMSE-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137684;MM137684;C=CC(C)(C)N(C)N=C;IJNJVQBIMIXUGK-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137685;MM137685;C#CC(C)C(C)(C)C=C;GJEWKZNHQUKJKJ-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137686;MM137686;C#CC(C)C(C)(C)C=O;NHMJNPANDWGNTC-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137687;MM137687;C#CC(C)C(C)(C)C#N;HTWZENBJSBAOTK-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137688;MM137688;C#CC(N)C(C)(C)C=C;UMJUJBMXIAAYCU-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137689;MM137689;C#CC(O)C(C)(C)C=C;BRXQNWLNTLKJGQ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137690;MM137690;C#CC(F)C(C)(C)C=C;CHVQNLACWZSWKM-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137691;MM137691;C#CC(F)C(C)(C)C=O;BLTOMMQWNKOJRJ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137692;MM137692;C#CC(F)C(C)(C)C#N;GWMIGHGEQIRGDM-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137693;MM137693;C#CC(C)C(C)(N)C=C;NZNAWGUGFBRIGH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137694;MM137694;C#CC(N)C(C)(N)C=C;AYACSMFBWSTGTD-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137695;MM137695;C#CC(O)C(C)(N)C=C;BVYWJDMWAPEHNI-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137696;MM137696;C#CC(F)C(C)(N)C=C;NOQGAQDBOJOFFM-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137697;MM137697;CCC(=CC(C)=NO)CC;VWOBIYRZIRHQJW-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137698;MM137698;C#CC(C)C(C)(O)C#N;RYVOXXKIIHWUCH-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137699;MM137699;C#CC(N)C(C)(O)C=C;MQJHMBZFVFNNQW-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137700;MM137700;C#CC(O)C(C)(O)C=C;SRADVBLXDQRXJQ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137701;MM137701;C#CC(O)C(C)(O)C=O;NTCKMOLPEKSDGA-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137702;MM137702;C#CC(F)C(C)(O)C=C;AZABTHSLZXRPSU-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137703;MM137703;C#CC(F)C(C)(O)C=O;XARGBSYYNJFZHS-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137704;MM137704;C#CC(C)C(C)(F)C#N;MKFNHCDIWIYJKW-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137705;MM137705;C#CC(O)C(C)(F)C=C;JQJSXHZLTOBEJW-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137706;MM137706;C#CC(F)C(F)(F)C=O;XJEIUGGBQIULEC-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137707;MM137707;C#CC(F)C(F)(F)C#N;SUXDGLIYJBSHHX-UHFFFAOYSA-N;133.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137708;MM137708;C#CC(C)(C)C(C)CC;CHGACHIZPBIZAC-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137709;MM137709;C#CC(C)(C)C(C)CN;OTRKDHRBXGPGKY-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137710;MM137710;C=CC(CCC(C)C)=NO;ZRZMYKVFLWUYME-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137711;MM137711;C#CC(C)(C)C(C)CF;HFGZVUMWAOSRSL-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137712;MM137712;C#CC(C)(C)C(N)CC;WZJUKVBVKZAAGY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137713;MM137713;C#CC(C)(C)C(N)CF;ICKLYAKDHJTELS-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137714;MM137714;C#CC(C)(C)C(F)CN;FYWJWVSLJPENNI-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137715;MM137715;C#CC(C)(N)C(C)CC;HCBFTQAUWWPTCZ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137716;MM137716;C#CC(C)(N)C(N)CN;CDUMLLUUUVILCS-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137717;MM137717;C#CC(C)(N)C(N)CO;FFEPDJSWPUYLBE-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137718;MM137718;C#CC(C)(N)C(O)CN;XFZOYTQXYXRGPT-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137719;MM137719;C#CC(C)(N)C(O)CO;MVSQXDPVQRVLEM-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137720;MM137720;C#CC(C)(N)C(F)CN;FSVZTBGSRXKBBH-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137721;MM137721;C#CC(C)(O)C(C)CC;POXXEBWIHAYJMJ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137722;MM137722;C#CC(C)(O)C(C)CF;SWPZGPZXNPUJAV-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137723;MM137723;C#CC(C)(O)C(N)CO;MBNMRWNTAKFDLK-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137724;MM137724;C#CC(C)(O)C(O)CN;VLEMGVJISUQAOV-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137725;MM137725;C#CC(C)(F)C(C)CC;QMUCGQLGLMFXEI-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137726;MM137726;C#CC(C)(F)C(N)CN;NLIYLOCHGUDIEZ-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137727;MM137727;C#CC(C)(F)C(O)CO;QVWPPTYUYHLGKR-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137728;MM137728;C#CC(C)(F)C(O)CF;QVFPPGHAPJNGLT-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137729;MM137729;C#CC(C)(F)C(F)CO;NPZAGJPQFRXRSG-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137730;MM137730;C#CC(F)(F)C(N)CN;NQQMEQWMSXAFAT-UHFFFAOYSA-N;134.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137731;MM137731;C#CC(F)(F)C(O)CN;KNALNWSHJKPFTI-UHFFFAOYSA-N;135.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137732;MM137732;C#CC(C)(C)C(C)OC;UJEJGRTYQVGOHW-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137733;MM137733;C#CC(F)(F)C(C)OC;WLTVNPBMMRLGGM-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137734;MM137734;C#CC(C)(C)N(C)CC;ZIVMWSNPSZSOEL-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137735;MM137735;C#CC(C)(C)C(C)C=C;HCKKGYWDRFCALE-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137736;MM137736;C#CC(C)(C)C(C)C=O;CNIGXIQZEGAMAE-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137737;MM137737;C#CC(C)(C)C(C)C#N;YRNNTRUQHGKAAO-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137738;MM137738;C#CC(C)(C)C(N)C=C;IODVWLRKWHCNLH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137739;MM137739;C#CC(C)(C)C(F)C=O;MFUUVDHJAOBUNA-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137740;MM137740;C#CC(C)(C)C(F)C#N;MXOAWSRRVSYXQA-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137741;MM137741;C#CC(C)(N)C(C)C=C;DEJQSJHDLWFUJY-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137742;MM137742;C#CC(C)(O)C(C)C=C;NUNHNSPMVFKMMU-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137743;MM137743;C#CC(C)(O)C(O)C=O;FDVZRHHMNGQYRH-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137744;MM137744;C#CC(C)(O)C(F)C=O;HZCNPBBGEVRRHC-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137745;MM137745;C#CC(C)(F)C(C)C=C;DERYFJFWZIMEAA-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137746;MM137746;C#CC(C)(F)C(C)C=O;HUMJQFFFNHAYOF-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137747;MM137747;C#CC(F)(F)C(F)C#N;VLGNLVYGAKHFKY-UHFFFAOYSA-N;133.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137748;MM137748;C#CC(C)(C)N(N)C=O;KVDFDVDPSDUKFW-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137749;MM137749;C#CC(C)(C)N(C)N=C;IIXABLOKUWAEPH-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137750;MM137750;C#CC(C)C(C)(C)C#C;CFQHNNXBYZRUDU-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137751;MM137751;C#CC(N)C(C)(C)C#C;WICCDTNBROOXAW-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137752;MM137752;C#CC(O)C(C)(C)C#C;UIEIIEHMPUAWAW-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137753;MM137753;C#CC(F)C(C)(C)C#C;GZMCLNQNMGNTHU-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137754;MM137754;C#CC(C)C(C)(N)C#C;AKIOQZGYPYXRDI-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137755;MM137755;C#CC(C)C(C)(O)C#C;BPSXWWWMRLJCCQ-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137756;MM137756;C#CC(C)C(C)(F)C#C;LHDYXRJAZGDNBR-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137757;MM137757;C=C(CC)C(C)(C)CC;RHUNXRXTEMNXCI-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137758;MM137758;C=C(CN)C(C)(C)CC;DKHRJTGBJOMNMH-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137759;MM137759;CC(O)C=CC(=NO)NN;VHLSISJDDPQOON-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137760;MM137760;C=C(CC)C(C)(C)CN;BZXHHXFQQSZDBE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137761;MM137761;C=C(CF)C(C)(C)CN;CYNWPZVQRBECMO-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137762;MM137762;C=CC(O)C(=O)NNCC;CFKFTEMYAVVJAB-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137763;MM137763;C=C(CO)C(C)(C)CO;XSBOFVINPWOIPZ-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137764;MM137764;C=C(CN)C(C)(C)CF;BHWSJLSVXZCGES-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137765;MM137765;CCC(=O)C(C)(C)CC;YEDJXYBDQSVPFJ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137766;MM137766;CCC(=O)C(C)(C)CO;HGCQBVFVGNDETR-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137767;MM137767;CC(C)(CO)C(=O)CO;VCLSUNMNDIKRMY-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137768;MM137768;CC(C)(CF)C(=O)CF;HPYHFTOMVHWLMD-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137769;MM137769;C=C(CC)C(C)(N)CC;DENCVFHFFGPCCU-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137770;MM137770;C=C(CO)C(C)(N)CC;IGRMXEWEIVRAIG-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137771;MM137771;C=C(CF)C(C)(N)CC;OARGTAXLGOGCEB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137772;MM137772;C=C(CN)C(C)(N)CN;COAHSZFUSDHIJH-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137773;MM137773;C=C(CO)C(C)(N)CN;DFYDFIRKSHIYFK-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137774;MM137774;C=C(CN)C(C)(N)CO;KLUDXNAWOLVUFR-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137775;MM137775;C=C(CF)C(C)(N)CO;CJAIMRSGEKVOCK-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137776;MM137776;C=C(CC)C(C)(N)CF;LAMSABDBBQRKID-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137777;MM137777;C=C(CO)C(C)(N)CF;UZUBANQKIAEQTG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137778;MM137778;CON(CCO)C(=O)NN;UVRWMOOUWWINLI-UHFFFAOYSA-N;149.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137779;MM137779;C=C(CO)C(C)(O)CC;MFKMVWPRSFSCSK-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137780;MM137780;C=C(CF)C(C)(O)CN;ZTXAWYVCJWKFDM-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137781;MM137781;C=C(CC)C(C)(O)CO;VSSWGOLGFBJPSP-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137782;MM137782;C=C(CO)C(C)(O)CO;TXKJQKJOGJSPJU-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137783;MM137783;CCC(C)(O)C(=O)CO;RTXWQAPTDCBWHJ-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137784;MM137784;C=C(CC)C(C)(F)CN;FHZGVTSXYOXZGZ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137785;MM137785;CCC(C)(F)C(=O)CO;HTJNAMQWSGELBZ-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137786;MM137786;CCC(C)(F)C(=O)CF;RQGUADPWKZWTAF-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137787;MM137787;CC(F)(CO)C(=O)CF;DQYMQYRJBXSKOS-UHFFFAOYSA-N;138.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137788;MM137788;C=C(CO)C(F)(F)CF;BMNNRRAYFZEWDX-UHFFFAOYSA-N;140.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137789;MM137789;CCC(=O)C(F)(F)CO;NAFYXHHEKFWGGR-UHFFFAOYSA-N;138.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137790;MM137790;O=C(CO)C(F)(F)CF;CXEBRUHNXNQHTQ-UHFFFAOYSA-N;142.08;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137791;MM137791;CCC(C)(C)C(=N)NN;VCMCVLLFFBKSHT-UHFFFAOYSA-N;129.21;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137792;MM137792;CCC(C)(C)C(=N)NO;GPSCEFHFHNHSRG-UHFFFAOYSA-N;130.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137793;MM137793;CNC(=N)C(C)(C)CN;IXUKRLYFXCAERP-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137794;MM137794;CC(C)(CN)C(=N)NO;JVKQLIPCKWJUKQ-UHFFFAOYSA-N;131.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137795;MM137795;CC(C)(CO)C(=N)NN;SWDVENJKELBGLP-UHFFFAOYSA-N;131.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137796;MM137796;CC(C)(CF)C(=N)NO;TYMHWOLTTDCPJS-UHFFFAOYSA-N;134.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137797;MM137797;C=CNC(CCCC)=NO;DZSQSLZSRXKAKI-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137798;MM137798;CC(C)(CN)C(=O)NO;NEYWZWJBJICTPZ-UHFFFAOYSA-N;132.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137799;MM137799;CC(C)(CO)C(=O)NO;JZTGIBRJTWUQFB-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137800;MM137800;CNC(=O)C(C)(C)CF;YLLXWJRONLUKNP-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137801;MM137801;CNC(=N)C(C)(N)CO;BYCXSZULCXHUSZ-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137802;MM137802;CCC(C)(N)C(=O)NC;KIWSKZNBRZJZJF-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137803;MM137803;CNC(=O)C(C)(N)CN;BMEGCOKUEKFCHR-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137804;MM137804;CCC(C)(O)C(=O)NC;MSCOESKJDHRKGR-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137805;MM137805;C=CC(CCCCC)=NO;GNRFSULPVGDRKD-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137806;MM137806;CNC(=O)C(C)(O)CO;QONDXJYRMDYYLF-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137807;MM137807;CC(O)(CO)C(=O)NN;JVCUZPNCHIURFK-UHFFFAOYSA-N;134.14;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137808;MM137808;CC(O)(CO)C(=O)NO;OXLBMNNTXSVLND-UHFFFAOYSA-N;135.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137809;MM137809;CC(O)(CF)C(=O)NN;XJQCVEWYVNTPBS-UHFFFAOYSA-N;136.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137810;MM137810;CC(O)(CF)C(=O)NO;JSPIIYIPCXYXEL-UHFFFAOYSA-N;137.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137811;MM137811;CC(F)(CF)C(=O)NO;FXESFPIMFVSNNH-UHFFFAOYSA-N;139.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137812;MM137812;C=C(OC)C(C)(C)CC;QRMUKNZMKHIDFS-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137813;MM137813;C=C(OC)C(C)(C)CN;XKTBCCHBCISXID-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137814;MM137814;C=C(OC)C(C)(C)CO;YKKAAUSWYWQLSK-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137815;MM137815;CCC(C)(C)C(=O)OC;IGHXQNDUQCTKSH-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137816;MM137816;COC(=O)C(C)(C)CF;YZUZRXGMHIZNGK-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137817;MM137817;C=C(OC)C(C)(N)CC;JOUFRDNXVISVRX-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137818;MM137818;C=C(OC)C(C)(N)CN;GSWDSTQWBMZTQL-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137819;MM137819;C=C(OC)C(C)(O)CC;OMVRSFZSFVEQDY-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137820;MM137820;COC(=O)C(C)(O)CN;AFFINLHJVCGRDV-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137821;MM137821;C=C(OC)C(C)(F)CN;AKZAPMDUMIANCO-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137822;MM137822;CCC(C)(F)C(=O)OC;QGCTZCSGDLCDJN-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137823;MM137823;COC(=O)C(C)(F)CF;XRLVVMCZXYWWJO-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137824;MM137824;C=C(CC)C(C)(C)NC;XUMOKOHMRKPMNN-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137825;MM137825;C=C(CF)C(C)(C)NC;CWIBVPKGQUNBPX-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137826;MM137826;CCC(=O)C(C)(C)NC;YNNZKYBSHFTPGU-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137827;MM137827;CNC(=N)C(C)(C)NC;INMWTJQXTVTUOF-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137828;MM137828;C=C(OC)C(C)(C)NC;GLJICBWUQDSBCR-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137829;MM137829;C=C(CC)C(C)(C)OC;WBWKEPZUCLAZAO-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137830;MM137830;C=C(CO)C(C)(C)OC;IFKPJZZQKCZSFM-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137831;MM137831;COC(C)(C)C(=O)CO;NLJAQNHRAJMDCI-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137832;MM137832;COC(C)(C)C(=O)CF;ONELVWZXYMIZNJ-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137833;MM137833;C=C(OC)C(C)(C)OC;GFZNVLMACPOYRH-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137834;MM137834;C=CC(=C)C(C)(C)CC;GOJLZCZCXXTZDG-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137835;MM137835;C=C(C=O)C(C)(C)CC;JQHTYTRJTAOVQD-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137836;MM137836;C=C(C#N)C(C)(C)CC;LBZKCEIGPJFGFA-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137837;MM137837;C=CC(=C)C(C)(C)CN;RPFFPGGCWCIVCJ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137838;MM137838;NN=C(C=NNC=O)CO;RTPHVMFNHJLTAV-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137839;MM137839;C=C(C#N)C(C)(C)CO;DIRUMLPMWUVCMK-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137840;MM137840;C=C(C=O)C(C)(C)CF;BSJBTHQXAQADGW-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137841;MM137841;C=C(C#N)C(C)(C)CF;AWGSCXMHMYEGAV-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137842;MM137842;CCC(C)(C)C(=O)C#N;KGIBVJMGQABCHZ-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137843;MM137843;CC(C)(CF)C(=O)C#N;ZAYJYYAKXKPJAF-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137844;MM137844;C=CC(=C)C(C)(N)CC;RUQIITZEGZLWJL-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137845;MM137845;C=CC(=C)C(C)(N)CF;LIZZFZDFDFTBHL-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137846;MM137846;C=C(C=O)C(C)(O)CC;JWYZEAZGGYVNJG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137847;MM137847;C=C(C#N)C(C)(O)CC;TXHFGXNFSLBXRK-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137848;MM137848;C=CC(=C)C(C)(O)CN;VTXLQNRGZCKTJA-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137849;MM137849;C=CC(=C)C(C)(O)CO;BLXPPQHJPMOQGZ-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137850;MM137850;C=C(C=O)C(C)(O)CF;SASIAPSJNIUXDD-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137851;MM137851;C=C(C#N)C(C)(O)CF;UUHFDGCXOAVNMW-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137852;MM137852;CC(O)(CF)C(=O)C=O;LVDAHUNDKQKWQM-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137853;MM137853;C=C(C#N)C(C)(F)CC;DTJYYHVNKLJGJA-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137854;MM137854;C=CC(=C)C(C)(F)CF;JLTXWWALIITZDB-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137855;MM137855;C=C(C=O)C(C)(F)CF;KZAYJKNIQGWJSY-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137856;MM137856;C=C(C#N)C(C)(F)CF;WQAPASSWUGEAOO-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137857;MM137857;C=CC(=O)C(C)(F)CC;JMXFRGABMPUNGR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137858;MM137858;C=CC(=O)C(C)(F)CF;UUVXDHZWJTTWKL-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137859;MM137859;C=C(C#N)C(F)(F)CO;ZSHKGDFJFWWOOM-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137860;MM137860;O=CC(=O)C(F)(F)CF;QNUNBNIJJXPLEO-UHFFFAOYSA-N;140.06;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137861;MM137861;C=CC(=C)C(C)(C)NC;MRLQKPPWNWLUAB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137862;MM137862;C=CC(=C)C(C)(C)OC;HBBNSSINUMXHEB-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137863;MM137863;C=C(C=O)C(C)(C)OC;LXQWCGJIDIZTMJ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137864;MM137864;C=C(C#N)C(C)(C)OC;DUBDEFJSODTMRZ-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137865;MM137865;C=CC(=O)C(C)(C)OC;LAEXJRJVJMOIIT-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137866;MM137866;C#CC(=C)C(C)(C)CC;ICSTZDKZZXSOCL-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137867;MM137867;C#CC(=C)C(C)(C)CN;ZHDGBQPYLQRLMI-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137868;MM137868;C=CC(C=NNC=O)=NN;MJWYBKVEJQKSRB-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137869;MM137869;C#CC(=C)C(C)(C)CF;QFWZGAULHUJGPK-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137870;MM137870;C#CC(=O)C(C)(C)CC;CVIMHSIJYCAVTK-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137871;MM137871;C#CC(=O)C(C)(C)CF;VYFJUIFNQPSJQH-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137872;MM137872;C#CC(=C)C(C)(N)CC;CEWQDNNVFUCSOB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137873;MM137873;C#CCC=CC(C=C)=NO;GDSHQCZQXAHCGR-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137874;MM137874;C#CC(=C)C(C)(C)NC;VJGNKKWMJPYXLH-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137875;MM137875;C#CC(=C)C(C)(C)OC;FHLQCOOQZASTKK-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137876;MM137876;C=CC(C)(C)C(=C)CC;HVIXRXCDXPORHE-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137877;MM137877;C=CC(C)(C)C(=C)CN;ULPPLAQUOUIYJA-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137878;MM137878;C=CC(=CC)N(C)C=NO;RBCCIUMZXHVHAJ-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137879;MM137879;C=CC(C)(C)C(=C)CF;USJKABXEXALIKG-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137880;MM137880;C=C(CC)C(C)(C)C=O;GIRGRIXIQRGWHC-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137881;MM137881;C=C(CC)C(C)(C)C#N;HFACJRFQQYQUDV-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137882;MM137882;C=C(CO)C(C)(C)C#N;RLZIEQRVVMJJRM-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137883;MM137883;C=C(CF)C(C)(C)C=O;DLYWJRNGHLDZID-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137884;MM137884;C=C(CF)C(C)(C)C#N;MHCGYGQWNXSHSN-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137885;MM137885;C=CC(C)(C)C(=O)CC;MVKMYXZJPQALCZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137886;MM137886;C=CC(C)(C)C(=O)CF;JDTPIXJAYLJMBX-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137887;MM137887;CCC(=O)C(C)(C)C=O;PVYBKZHBCCMBPS-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137888;MM137888;CCC(=O)C(C)(C)C#N;AKABYWUBFCUROU-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137889;MM137889;C=CC(C)(N)C(=C)CC;QLKAECIFZKPVQF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137890;MM137890;C=CC(C)(N)C(=C)CF;IORQDYHDLOHLMT-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137891;MM137891;C=CC(C)(O)C(=C)CN;YSHSIIAQTPFNCS-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137892;MM137892;C=CC(C)(O)C(=C)CF;ZUQUHZCYCNVYGL-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137893;MM137893;C=C(CC)C(C)(O)C#N;YDKRMVCOIRMJDM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137894;MM137894;C=C(CO)C(C)(O)C#N;NOAFIBDZUHZBJO-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137895;MM137895;C=C(CO)C(C)(F)C#N;XXXADHVTAFXDHM-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137896;MM137896;CCC(=O)C(F)(F)C#N;PBBFQYKEJOMYLM-UHFFFAOYSA-N;133.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137897;MM137897;O=CC(F)(F)C(=O)CO;IGVLQQRSBGMLPJ-UHFFFAOYSA-N;138.07;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137898;MM137898;O=CC(F)(F)C(=O)CF;MCTKIKGQFBYGDV-UHFFFAOYSA-N;140.06;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137899;MM137899;C=CC(C)(C)C(=N)NN;YLAIEIXUKZWEGX-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137900;MM137900;C=CC(C)(C)C(=N)NO;YLJWZTFFYBCVPM-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137901;MM137901;CC(C)=C1CCC(=NO)N1;SAJFVNSZDQUFJD-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137902;MM137902;CNC(=O)C(C)(C)C=O;CRVWUPXAZCRGNG-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137903;MM137903;C=CC(C)(N)C(=N)NO;ZLUJNWZUGZRDNJ-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137904;MM137904;N#CCn1cnc(CO)c1;ZSUMUIMGUABXGK-UHFFFAOYSA-N;137.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137905;MM137905;C=CC(C)(O)C(=O)NO;QHSNSYSZEGQEQT-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137906;MM137906;CNC(=O)C(C)(O)C=O;KAIPSQDFQDEODR-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137907;MM137907;CC(O)(C=O)C(=O)NO;YBVFYVVOOCXBIX-UHFFFAOYSA-N;133.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137908;MM137908;CNC(=O)C(F)(F)C#N;SHZLOCNSCWKTRB-UHFFFAOYSA-N;134.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137909;MM137909;C=CC(C)(C)C(=C)OC;VXCKABXKGBFWPR-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137910;MM137910;C=C(OC)C(C)(C)C=O;OUSHYEWOKZUXKB-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137911;MM137911;C=C(OC)C(C)(C)C#N;SKSQBOHLMFVPKB-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137912;MM137912;C=CC(C)(C)C(=O)OC;UHRVSIIJSJKEPO-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137913;MM137913;COC(=O)C(C)(C)C=O;XFKYUMYFILZJGG-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137914;MM137914;C=CC(C)(N)C(=C)OC;XDTVJDNJMAWCKC-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137915;MM137915;C=CC(C)(O)C(=C)OC;JESLQFAGYDIIMI-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137916;MM137916;C=C(OC)C(C)(F)C#N;STVCUPMQSVZCPH-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137917;MM137917;C=CC(C)(F)C(=O)OC;WWVYGGQBKVYXSU-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137918;MM137918;C=C(OC)C(F)(F)C#N;AUDAZUGPQPDQOJ-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137919;MM137919;C=CC(=C)C(C)(C)C=C;MHYOJDTYEQRCEL-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137920;MM137920;C=CC(C)(C)C(=C)C=O;NGEIWKOPVCPBCZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137921;MM137921;C=CC(C)(C)C(=C)C#N;DKYMJQMEFMKRFO-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137922;MM137922;C=CC(=C)C(C)(C)C=O;GTKFATWRLFSCPS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137923;MM137923;C=CC(=C)C(C)(C)C#N;QXDIBCHQXXTQAO-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137924;MM137924;C=C(C=O)C(C)(C)C=O;ASHXSQWESAOVQM-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137925;MM137925;C=C(C=O)C(C)(C)C#N;IXOVDBCMBCMUTB-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137926;MM137926;C=C(C#N)C(C)(C)C=O;XUGVDKDLPKNHHB-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137927;MM137927;C=C(C#N)C(C)(C)C#N;ZPLIKEYDXGUEMQ-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137928;MM137928;C=CC(C)(C)C(=O)C#N;WMQHVFYHWHGKSW-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137929;MM137929;CC(C)(C=O)C(=O)C=O;BRRWJVYIMRBLKB-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137930;MM137930;CC(C)(C#N)C(=O)C#N;HXHICQPUKKJHHF-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137931;MM137931;C=CC(=C)C(C)(N)C=C;WQXOYRSDDVRXJC-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137932;MM137932;N#CCn1cnc(CF)c1;FCMSWNYYYJTZMU-UHFFFAOYSA-N;139.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137933;MM137933;C=CC(C)(O)C(=C)C#N;LSSXYZTVRLNNNN-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137934;MM137934;C=CC(=C)C(C)(O)C#N;WDRRXACWCTTYAL-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137935;MM137935;C=C(C=O)C(C)(O)C=O;ZVHVMBCUUHLWTC-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137936;MM137936;C=CC(C)(O)C(=O)C=O;WZLHJKRBPJOKEI-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137937;MM137937;CC(O)(C#N)C(=O)C=O;RUPIFXMECYZQTM-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137938;MM137938;C=CC(C)(F)C(=C)C=O;CSMPIAAECMPBPA-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137939;MM137939;C=CC(=C)C(C)(F)C#N;DPWXUHSMIBHFPU-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137940;MM137940;C=C(C=O)C(C)(F)C#N;BRRVHFDYLHXHIP-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137941;MM137941;C=C(C#N)C(C)(F)C#N;UCIHBBOLJFFEED-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137942;MM137942;C=C(C=O)C(F)(F)C=O;FPQMCOUPSZGESL-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137943;MM137943;N#CC(F)(F)C(=O)C=O;OOEYBJADQYUIHH-UHFFFAOYSA-N;133.05;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137944;MM137944;C#CC(=C)C(C)(C)C=C;RALFAKDPQFMDFS-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137945;MM137945;C#CC(=C)C(C)(C)C=O;VMJPRPCVMKDZCH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137946;MM137946;C#CC(=C)C(C)(C)C#N;BZPFXBYHLCKRQY-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137947;MM137947;C#CC(=O)C(C)(C)C=C;RAESNBMEJAIISU-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137948;MM137948;C#CC(=C)C(C)(N)C=C;PIDKZGXWTLGUFU-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137949;MM137949;CNC1=NOC(C=O)=NN1;CHFQVYUDAXPMLY-UHFFFAOYSA-N;142.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137950;MM137950;C#CC(=C)C(C)(F)C=C;XVFUIEDNTVATSQ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137951;MM137951;C#CC(=C)C(C)(F)C#N;XHONXBMPQHSDRS-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137952;MM137952;C#CC(=O)C(C)(F)C=C;CBLIRPPOPGBSFT-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137953;MM137953;C#CC(=C)C(F)(F)C#N;FKKXXMJHGUNVJC-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137954;MM137954;C#CC(C)(C)C(=C)CC;GCQRVCCETOAEFP-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137955;MM137955;C#CC(C)(C)C(=C)CN;DVRMSFKJOMNJRY-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137956;MM137956;C#CC(C)(C)C(=C)CF;IQBDWIJILGTSAA-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137957;MM137957;C#CC(C)(C)C(=O)CC;BVYBAUUOLUJVLB-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137958;MM137958;C#CC(C)(C)C(=O)CF;LTQCDTCBXGZZJD-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137959;MM137959;C#CC(C)(N)C(=C)CC;OWTOHDWXNSRDNU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137960;MM137960;C#CC(C)(O)C(=C)CC;SYEAFDBDNDQDHQ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137961;MM137961;C#CC(C)(O)C(=O)CO;GHUBWNAPNJKXQG-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137962;MM137962;C#CC(C)(O)C(=O)CF;FWRMZOXFBDJRQH-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137963;MM137963;C#CC(F)(F)C(=O)CO;QCWYIJHAFWLIPK-UHFFFAOYSA-N;134.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137964;MM137964;C#CC(F)(F)C(=O)CF;BXNNMOFXKWESAE-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137965;MM137965;C#CC(C)(C)C(=N)NO;ZKPXVPGRFMLDTR-UHFFFAOYSA-N;126.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137966;MM137966;C#CC(C)(C)C(=C)OC;KEQMKBMSAUPCJX-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137967;MM137967;C#CC(C)(C)C(=O)OC;JALDGRUZXZRJGJ-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137968;MM137968;C#CC(C)(F)C(=C)OC;UNSSDOZXIDMBRJ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137969;MM137969;C#CC(C)(F)C(=O)OC;OBGXFPMDUBZHLB-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137970;MM137970;C#CC(F)(F)C(=C)OC;UUUATWTXSKCECR-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137971;MM137971;C#CC(C)(C)C(=C)C=C;PZGOKCNOWSZNIJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137972;MM137972;C#CC(C)(C)C(=C)C=O;HXJOMDDEKBDMKR-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137973;MM137973;C#CC(C)(C)C(=C)C#N;RIVARDNLSFRZHU-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137974;MM137974;C#CC(C)(C)C(=O)C=C;NAYNJINPRVLECH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137975;MM137975;C#CC(C)(C)C(=O)C#N;SEYZLWKPPRPEHS-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137976;MM137976;C#CC(C)(N)C(=C)C=C;ZITHHRCFQWMSFR-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137977;MM137977;C#CC(C)(O)C(=C)C#N;CLCHXYHCGPXKKY-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137978;MM137978;C#CC(C)(F)C(=C)C=O;KYOJFYRMMSLKLJ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137979;MM137979;C#CC(C)(F)C(=O)C=C;VWNUKUQZKZKQPM-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137980;MM137980;C#CC(C)(F)C(=O)C#N;SQRFQHXNXXQGDH-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137981;MM137981;C#CC(=C)C(C)(C)C#C;QQNZFAJZPANNPL-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137982;MM137982;C#CC(=O)C(C)(C)C#C;PKIIVVDOSBPXCB-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137983;MM137983;C#CC(=O)C(C)(F)C#C;LBHSKWNIIMTRGW-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137984;MM137984;C#CC(=C)C(F)(F)C#C;XZUVFZOPOPJKCQ-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137985;MM137985;CC=C(C)C(C)(C)CC;WDLGLTFOBAKTPU-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137986;MM137986;CCC(C)(C)C(C)=CF;PJNUWIXYPIHPMO-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137987;MM137987;CC=C(C)C(C)(C)CN;SNZZCZXZHQIMPG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137988;MM137988;CC(=CF)C(C)(C)CN;OPHDTTXHBXZEOJ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137989;MM137989;CCN(N)C=NO;BMFWLFLSCPTVQC-UHFFFAOYSA-N;103.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137990;MM137990;CC(=CF)C(C)(C)CO;SGXYLSBBRFUOBP-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137991;MM137991;CC=C(C)C(C)(C)CF;UIZUKAYLNRKIIM-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137992;MM137992;CC(=CF)C(C)(C)CF;GTQZJRSGVAAJTQ-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137993;MM137993;CC(C)(CN)C(F)=CF;RQAYVCUHGHZWCX-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137994;MM137994;CC=C(F)C(C)(C)CF;LQHCVWQGPQXYEX-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137995;MM137995;CC=C(C)C(C)(N)CC;KDPSNQJALFBUSZ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137996;MM137996;CC(=CF)C(C)(N)CN;NWBSJQOTBIWCPB-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137997;MM137997;CC=C(F)C(C)(N)CC;LBSBFLQSMRMPLZ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137998;MM137998;CCC(C)(N)C(F)=CF;AOOFMEBNUSJWCG-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM137999;MM137999;CC=C(F)C(C)(N)CN;QEERBGYMRQIZAT-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138000;MM138000;CCC(C)(O)C(C)=CF;SOXVTFCKDVNULI-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138001;MM138001;CC(=CF)C(C)(O)CN;NFRBNVCESLELEQ-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138002;MM138002;CC=C(C)C(C)(O)CO;VSHIWEBYTQSMTF-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138003;MM138003;CC=C(F)C(C)(O)CO;LJIRWKXBETZIEU-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138004;MM138004;CC=C(C)C(C)(F)CN;HQKTYKLBPLRJGS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138005;MM138005;CC(=CF)C(C)(F)CN;PVJWSDGCRLVJBP-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138006;MM138006;CC=C(F)C(C)(F)CN;LYYHVXLKQNILES-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138007;MM138007;OCC(F)(F)C(F)=CF;YRIQCPWIFOMAER-UHFFFAOYSA-N;144.07;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138008;MM138008;CCC(C)(C)C(C)=NN;YGTCCOPCGVWMOL-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138009;MM138009;CCC(C)(C)C(C)=NO;HSSCRBLMUAIPEI-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138010;MM138010;CC(=CF)C(=O)NN;GVWCCXTZUGLFQJ-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138011;MM138011;CC(=NO)C(C)(C)CF;ORNZEXZMQXITLT-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138012;MM138012;C=NNC(=O)CC(C)O;UAEKXMQLXHDHKX-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138013;MM138013;CC(=NO)NCC(N)=O;GKUZZEXJFYPFEC-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138014;MM138014;CC(=NN)C(C)(F)CF;LWDOJRPHBDUYTB-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138015;MM138015;CC=C(C)C(C)(C)NC;XSVRPPHBDPZZBJ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138016;MM138016;CNC(C)(C)C(C)=CF;QWWIZBBIQNWQIL-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138017;MM138017;CNC(C)(C)C(C)=NO;ZNYAYGFZHXQCMX-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138018;MM138018;CC=C(C)C(C)(C)OC;UDFPHHCZCAIAIO-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138019;MM138019;COC(C)(C)C(C)=CF;RLHZDKRAPQLRLL-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138020;MM138020;CC=C(F)C(C)(C)OC;CGCBRJNNPLGKKU-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138021;MM138021;COC(C)(C)C(C)=NN;WZMQEEHTBCZNOE-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138022;MM138022;C=CC(C)(C)C(C)=CC;GXZAWNKHUOIJMM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138023;MM138023;C=CC(C)(C)C(C)=CF;KZDDMHCWRAUXNJ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138024;MM138024;CC=C(C)C(C)(C)C=O;IEQABSIUJFAYJJ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138025;MM138025;CC=C(C)C(C)(C)C#N;ABKUMKATMWATTD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138026;MM138026;CC(=CF)C(C)(C)C=O;JLOWNPVULQUJCR-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138027;MM138027;CC(=CF)C(C)(C)C#N;WJMYULQUUBSQSI-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138028;MM138028;C=CC(C)(C)C(F)=CC;RKVGSDVKDWFOED-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138029;MM138029;CC=C(F)C(C)(C)C=O;LYWAFWSZGHRPTP-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138030;MM138030;CC=C(F)C(C)(C)C#N;AMIVTKVCPMTXNH-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138031;MM138031;CC(C)(C#N)C(F)=CF;CYGLUCQKZSFHNH-UHFFFAOYSA-N;131.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138032;MM138032;C=CC(C)(N)C(C)=CC;FXFWLUXWRBNMRU-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138033;MM138033;C=CC(C)(N)C(C)=CF;AUZZNUSFPMIWBP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138034;MM138034;CCC(=NO)NN(C)C;IWPLZRYEKDIGPF-UHFFFAOYSA-N;131.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138035;MM138035;C=CC(C)(O)C(F)=CC;ALHHFTDGWZERIS-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138036;MM138036;CC=C(F)C(C)(O)C#N;GHYROZGBQCONQU-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138037;MM138037;CC(O)(C=O)C(F)=CF;KIWDDFODOUXNQC-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138038;MM138038;CC(O)(C#N)C(F)=CF;DTZGBJVSIFCDNF-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138039;MM138039;CC=C(C)C(C)(F)C=O;SBEXWPDJICRDKF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138040;MM138040;CC=C(C)C(C)(F)C#N;NYIRISBLOLYJOG-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138041;MM138041;CC=C(F)C(C)(F)C=O;FSDSKNOTHBABRI-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138042;MM138042;C=CC(C)(C)C(C)=NN;DCHDSKAHYVEOPE-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138043;MM138043;C=CC(C)(C)C(C)=NO;FAJXHLNMFJJYMV-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138044;MM138044;C=C(C)NC(CC)=NO;CKODPZLNPVLORG-UHFFFAOYSA-N;128.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138045;MM138045;C#CC(C)(C)C(C)=CC;FIXVDZNTIQGVEK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138046;MM138046;C#CC(C)(C)C(C)=CF;BQTWQRDTVXARRW-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138047;MM138047;C#CC(C)(C)C(F)=CC;RWVFVVFVSVOXEJ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138048;MM138048;C#CC(C)(N)C(C)=CC;IIUYPPRLAYJUPY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138049;MM138049;C#CC(C)(N)C(C)=CF;OKLUPJRVZAZCEP-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138050;MM138050;C#CC(C)(O)C(C)=CC;JGOUOPVWVKAYEO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138051;MM138051;C#CC(C)(O)C(F)=CC;DTHBPVIICOWLQZ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138052;MM138052;C#CC(C)(O)C(F)=CF;GLMOVBSJXSWPBM-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138053;MM138053;C#CC(C)(F)C(C)=CC;GLHOGNVELXUBLC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138054;MM138054;C#CC(C)(F)C(C)=CF;PZQGPCRBRMIGLZ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138055;MM138055;C#CC(C)(F)C(F)=CC;UQWCSYSNLQRLCN-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138056;MM138056;C#CC(C)(F)C(F)=CF;LSRJTICNHVHDAD-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138057;MM138057;C#CC(C)(C)C(C)=NN;JGXAOSSKNQIHFL-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138058;MM138058;C#CC(C)(C)C(C)=NO;AGQBKTVURPKUEA-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138059;MM138059;O=CC#CC(O)C=NO;IRVFUWGUUHAPJH-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138060;MM138060;CCCCC(C)(C)CC;BVAKDOXCVSMKHE-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138061;MM138061;CCC(C)(C)CCCN;HPRZXWYFJLZPDH-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138062;MM138062;CCC(C)(C)CCCO;VZWIUKUDEGQHIO-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138063;MM138063;CCC(C)(C)CCCF;OMEFJIWFIUKXCA-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138064;MM138064;CCCCC(C)(C)CN;SUMWYVVUFJCTQX-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138065;MM138065;CC(C)(CN)CCCN;TUGAQVRNALIPHY-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138066;MM138066;CC(C)(CN)CCCO;FMBDDEJFIJTHHM-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138067;MM138067;C=CC=CN(C)C=NO;HAQTWMHJPDCWLO-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138068;MM138068;CC(C)(CO)CCCN;ZOOPONUAQQEUQX-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138069;MM138069;C=CCC=CC(C)=NO;ZKNIRXQFNCNJPH-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138070;MM138070;COCC(O)C(=O)NN;ZDNDCDPLBKABCO-UHFFFAOYSA-N;134.14;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138071;MM138071;CCCCC(C)(C)CF;BSFJVVNTQVGCNB-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138072;MM138072;CC(C)(CF)CCCN;ISKWIDUJIRZIGU-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138073;MM138073;CC(C)(CF)CCCF;ULHOISUAFCMRIZ-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138074;MM138074;CCCCC(C)(N)CC;SJEYTWBKRHSHQE-UHFFFAOYSA-N;129.25;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138075;MM138075;CCC(C)(N)CCCN;QOMBPUOVPICHEB-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138076;MM138076;CCC(C)(N)CCCO;WWBSYJBSOGIYGB-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138077;MM138077;CCC(C)(N)CCCF;QYAQQKNGONZZIJ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138078;MM138078;CC(N)(CN)CCCN;SYJYMLMBEIIRBN-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138079;MM138079;CC(N)(CN)CCCO;AYFNCWDFVZHTSE-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138080;MM138080;CC(N)(CO)CCCO;JTTISJYGSKAPPV-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138081;MM138081;CCCCC(C)(N)CF;WTYXIURQTIOLCA-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138082;MM138082;C=C(CCC)C(C)=NO;ORGLRKDMCPTLCR-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138083;MM138083;CCC(C)(O)CCCN;NYKBYWQLJYMKDZ-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138084;MM138084;CCC(C)(O)CCCO;ZRCYHJNCCBSTSZ-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138085;MM138085;CCC(C)(O)CCCF;JXTONJLOJSINAP-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138086;MM138086;CC(O)(CN)CCCO;MXEMWVYXAQVAGX-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138087;MM138087;CC(O)(CN)CCCF;ZNAMODBKJDJCNB-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138088;MM138088;CCCCC(C)(O)CO;BSJQMNIJQVVJPX-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138089;MM138089;CC(O)(CO)CCCN;KJDTZDQGGCEGKL-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138090;MM138090;CC(O)(CO)CCCO;JGPFFNACCBWQNG-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138091;MM138091;CCCCC(C)(O)CF;NFAULLMVDVCOQU-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138092;MM138092;CCCCC(C)(F)CC;YODDXUQXIQMBSB-UHFFFAOYSA-N;132.22;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138093;MM138093;CCC(C)(F)CCCN;LZKWCFFRMJBZCO-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138094;MM138094;CCC(C)(F)CCCO;RMDWEBRGAVLVMM-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138095;MM138095;CCC(C)(F)CCCF;IWOAMCQDAIAADL-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138096;MM138096;CCCCC(C)(F)CN;IQTYVSCJZUCELZ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138097;MM138097;CC(F)(CN)CCCN;JFASMAIPRNTQID-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138098;MM138098;CC(F)(CN)CCCO;AVHKHZLVKUXPDB-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138099;MM138099;CCCCC(C)(F)CO;OKHRYHIXUNLSPK-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138100;MM138100;CC(F)(CF)CCCN;IWIYOGBVYYLYQP-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138101;MM138101;CC(F)(CF)CCCO;DERITWFHQLHWLG-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138102;MM138102;CC(F)(CF)CCCF;KCLCYDGTURWMLP-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138103;MM138103;CCCCC(F)(F)CC;WXRKEDNSIKIZOD-UHFFFAOYSA-N;136.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138104;MM138104;CCC(F)(F)CCCN;NBRXPYVCUHHHHT-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138105;MM138105;CCC(F)(F)CCCF;HLYPEGRNCAAJSH-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138106;MM138106;NCCCC(F)(F)CN;QCMWDXOSXRXRSQ-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138107;MM138107;CCCCC(F)(F)CF;IMNBVNZDVVFOGZ-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138108;MM138108;FCCCC(F)(F)CF;DCIDIQQKMUILHP-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138109;MM138109;CCC(C)(C)CCNC;LAITVMUCYMCNEI-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138110;MM138110;CNCCC(C)(C)CN;GVTNETAMMYQNST-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138111;MM138111;CNCCC(C)(C)CF;QNANFUIZJKKZPI-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138112;MM138112;CNCCC(C)(N)CN;QUODCSYWGKPFPL-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138113;MM138113;CCC(C)(O)CCNC;WYTMNZIBXMVMMO-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138114;MM138114;CNCCC(C)(O)CO;SNTOOCXXAVGZAS-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138115;MM138115;CCC(C)(F)CCNC;ZVMWTCYLKCXTLQ-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138116;MM138116;CCC(F)(F)CCNC;DLVNJYJFCROLNM-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138117;MM138117;CNCCC(F)(F)CN;OUDXBICWZBHVQY-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138118;MM138118;CCC(C)(C)CCOC;UXUMVHGYHSDYOR-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138119;MM138119;COCCC(C)(C)CN;IGWSTDYRCFOAGN-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138120;MM138120;COCCC(C)(C)CO;WOELHIHVJTYYEZ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138121;MM138121;COCCC(C)(C)CF;CCCCAILHJHLJAI-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138122;MM138122;CCC(C)(N)CCOC;XMAMEKKSMHZSOZ-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138123;MM138123;COCCC(C)(N)CN;PWWFRHNYMSAZCP-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138124;MM138124;COCCC(C)(N)CO;XTYHSWUHQXDOKY-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138125;MM138125;CCC(C)(O)CCOC;GGUOETSVDLHLSP-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138126;MM138126;COCCC(C)(O)CN;BSKRKNUPHYNKRU-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138127;MM138127;CCC(C)(F)CCOC;JWZRCJQARMPPGQ-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138128;MM138128;COCCC(C)(F)CF;DDMOIYSQJAFVSC-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138129;MM138129;CCCCC(C)(C)NC;ZBEGTFAZGLQTOB-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138130;MM138130;CNC(C)(C)CCCO;QLKRDAQFIWSKNG-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138131;MM138131;CNC(C)(C)CCCF;GTMNHDAJBYPGSE-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138132;MM138132;CNC(C)(C)CCOC;JGAZERIAGIYVMP-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138133;MM138133;CCCCC(C)(C)OC;JFWIOFGVMQJBNT-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138134;MM138134;COC(C)(C)CCCN;GKXFHAJFAKDPBO-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138135;MM138135;COC(C)(C)CCCO;BVLZIEGHZCFNSG-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138136;MM138136;COC(C)(C)CCCF;ZMBPDDIJDQHENK-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138137;MM138137;CNCCC(C)(C)OC;DNMNVKFKEQSEAU-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138138;MM138138;COCCC(C)(C)OC;QFZHLUALUIUUDW-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138139;MM138139;CCNCC(C)(C)CC;SBRBPFHRQPLPLX-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138140;MM138140;CCNCC(C)(C)CN;OFKXGNJRTDKZBQ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138141;MM138141;CCNCC(C)(C)CO;NYKRAOGQZLDTTN-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138142;MM138142;CCNCC(C)(C)CF;XNHIJFMCMVNSAZ-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138143;MM138143;CCNCC(C)(N)CC;QNXXFKVFGQQRAT-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138144;MM138144;CCNCC(C)(N)CN;RDZDXMPAZCRSSR-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138145;MM138145;CCNCC(C)(N)CO;ZZFSTSZPYICQHG-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138146;MM138146;CCNCC(C)(O)CC;HNJYJUAVEJOXAE-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138147;MM138147;CCNCC(C)(F)CC;ZNASJRFPZNXNDD-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138148;MM138148;CCNCC(C)(F)CF;PJVXAUADPWGPLZ-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138149;MM138149;CCNCC(C)(C)OC;ZZUNYXKMQXYNLR-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138150;MM138150;CCOCC(C)(C)CC;FRCZWPYIXAFAEM-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138151;MM138151;CCOCC(C)(C)CN;BDPZFHDRQQAQAH-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138152;MM138152;CCOCC(C)(C)CO;KWJOBPQHYKOEJR-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138153;MM138153;CCOCC(C)(C)CF;ACGJQNHFRWJWKZ-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138154;MM138154;CCOCC(C)(N)CC;JUKPWLUDFZNQON-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138155;MM138155;CCOCC(C)(N)CN;FNSXURBFOLVPLK-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138156;MM138156;CCOCC(C)(O)CC;XZHMDEGGGZCSES-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138157;MM138157;CCOCC(C)(F)CC;KGSHJLFEXOWQER-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138158;MM138158;CCOCC(C)(F)CN;HDQKGSUKLOUBIB-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138159;MM138159;CCOCC(C)(C)NC;NZYYWPOGLNISJE-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138160;MM138160;CCOCC(C)(C)OC;IZIUTBONVYODGU-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138161;MM138161;CCCNC(C)(C)CC;OPWOLGWUQOXZSS-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138162;MM138162;CCC(C)(C)NCCN;JTGMCGLUKQXXHX-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138163;MM138163;CCC(C)(C)NCCO;SKCJEQKNPYDXOP-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138164;MM138164;CCC(C)(C)NCCF;TXIIRNRBTROKAD-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138165;MM138165;CCCNC(C)(C)CN;VUJZFAIVUQEZBM-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138166;MM138166;CC(C)(CN)NCCN;SQHVGJMCJSLEJU-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138167;MM138167;CC(C)(CN)NCCO;KMHJOYUPTXROKZ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138168;MM138168;CC(C)(CN)NCCF;KMKVLERZSSCGIP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138169;MM138169;CCCNC(C)(C)CO;RBWDVJQFZUIORC-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138170;MM138170;CC(C)(CO)NCCN;BIAUNHUHDFGDOT-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138171;MM138171;CC(C)(CO)NCCF;LZBCZAGTROSDNS-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138172;MM138172;CCCNC(C)(C)CF;CMILZCHNGIBCAH-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138173;MM138173;CC(C)(CF)NCCO;PWCJFYVVDKQMRE-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138174;MM138174;CCCOC(C)(C)CC;LFKBOUUQIPXNTJ-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138175;MM138175;CCC(C)(C)OCCN;RPGRNUCCGKZAMC-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138176;MM138176;CCC(C)(C)OCCO;KGRYJQHZLUAEES-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138177;MM138177;CCC(C)(C)OCCF;NPTONUXDKCAKRN-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138178;MM138178;CCCOC(C)(C)CN;KMFGHINBZCUGMQ-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138179;MM138179;CC(C)(CN)OCCN;XODFEDMYRIVYMN-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138180;MM138180;CC(C)(CN)OCCO;GCTTZFAXTLTTOR-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138181;MM138181;CCCOC(C)(C)CO;VRGYCUCZXWEJNM-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138182;MM138182;CC(C)(CO)OCCF;NIEDKNHHCWSKSA-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138183;MM138183;CCCOC(C)(C)CF;QLWJJATZCMYTEJ-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138184;MM138184;CC(C)(CF)OCCN;NNMFCDGCTDRIMX-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138185;MM138185;CCC(C)(C)OCOC;JMAKERCPSPYSGF-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138186;MM138186;COCOC(C)(C)CN;QRDAAYWVZLEKPY-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138187;MM138187;COCOC(C)(C)CF;RZNRIYDSMURLOD-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138188;MM138188;CCCOC(C)(C)OC;PESXEEJZTGKLFD-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138189;MM138189;COC(C)(C)OCCF;QSRNAIXNTQLRCN-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138190;MM138190;C=CCCC(C)(C)CC;QSGOCILCIDLDPI-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138191;MM138191;CCC(C)(C)CCC=O;LIARQDWTSIPOCX-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138192;MM138192;CCC(C)(C)CCC#N;BCOAZWJIQDRTDW-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138193;MM138193;C=CCCC(C)(C)CN;PPLTYXVBNYYDSB-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138194;MM138194;NN=CC1=CC(O)C=C1;PVPQXXWYUIILGC-UHFFFAOYSA-N;124.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138195;MM138195;CC1=CCC(=NO)N1C;QAOYLOKALJEPOC-UHFFFAOYSA-N;126.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138196;MM138196;C=CCCC(C)(C)CF;HMABMIQFAURSCV-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138197;MM138197;CC(C)(CF)CCC=O;PSBJBLPKZFJXTJ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138198;MM138198;C=CCCC(C)(N)CC;IGGHSANTLRRJIH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138199;MM138199;C=CC(=NO)NCC#N;LJQNAQNGYJHYBE-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138200;MM138200;CCC(C)(O)CCC=O;PUMVOOYIPAYIQQ-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138201;MM138201;CCC(C)(O)CCC#N;NCKVUZVYIOAFKJ-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138202;MM138202;C=CCCC(C)(O)CF;WNCRTBQNDKJSKL-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138203;MM138203;C=CCCC(C)(F)CC;OOPSFAQHCSALLT-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138204;MM138204;CCC(C)(F)CCC=O;RHRTVFMZBMLHMF-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138205;MM138205;CCC(C)(F)CCC#N;ZVJFTWOCYWOUGE-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138206;MM138206;C=CCCC(C)(F)CN;AHYPPJMHRRFOLR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138207;MM138207;CC(F)(CF)CCC=O;INEPSMMHWVFUOS-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138208;MM138208;CC(F)(CF)CCC#N;BNYYAEGPPJWFLM-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138209;MM138209;C=CCCC(F)(F)CC;WBFUNERGAZZRSE-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138210;MM138210;CCC(F)(F)CCC=O;QFILKEUFCSEZNC-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138211;MM138211;O=CCCC(F)(F)CF;QLQXTJIRZVIMLX-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138212;MM138212;C=CCCC(C)(C)NC;LWWYSBLLTUBLCL-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138213;MM138213;CNC(C)(C)CCC=O;AKZDCMGHVWMAIW-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138214;MM138214;C=CCCC(C)(C)OC;LAEOBLXRZWPGAG-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138215;MM138215;COC(C)(C)CCC=O;DDBAGGSXLVMUOO-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138216;MM138216;COC(C)(C)CCC#N;AGFFAIBXZCMKGE-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138217;MM138217;CCC(C)(C)CNC=N;YZSFHPZRKOQJOB-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138218;MM138218;CN=C1NOC(C=O)O1;SOLXWAIYJDTGBN-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138219;MM138219;CC(C)(CN)CNC=O;GFADFHFLOAIWAY-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138220;MM138220;CC(C)(CO)CNC=N;HWBJNGXWUDBQPS-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138221;MM138221;CC(C)(CO)CNC=O;RZHGPKKFRAQCHU-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138222;MM138222;CC(C)(CF)CNC=N;HBQLUDFLJMFXCG-UHFFFAOYSA-N;132.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138223;MM138223;CC(NC(=O)NN)C(F)F;AMNWBWUVIQILRA-UHFFFAOYSA-N;153.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138224;MM138224;CCC(C)(N)CNC=N;KHBJRBPGCDWZJO-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138225;MM138225;CCC(C)(N)CNC=O;MKYBJFDBSDHWQC-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138226;MM138226;CC(N)(CO)CNC=N;CJIXRWRUHZYKNP-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138227;MM138227;CC(N)(CO)CNC=O;LGMQJJMKQBNZAH-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138228;MM138228;CCC(C)(O)CNC=N;OOQVGAFQLHBOCS-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138229;MM138229;CCC(C)(O)CNC=O;NSNVBZDIICPZAN-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138230;MM138230;CC(O)(CN)CNC=N;NQWQDLGIITUOCL-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138231;MM138231;CC(O)(CN)CNC=O;YHYZDHWTYUENOT-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138232;MM138232;CC(O)(CO)CNC=N;POGZKXFIFDFCLA-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138233;MM138233;CC(O)(CO)CNC=O;MQOOSJCJUKQGJQ-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138234;MM138234;CC(O)(CF)CNC=O;RBUNGSQDZMQAON-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138235;MM138235;CC(F)(CO)CNC=N;CWQUVYFJKRNILY-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138236;MM138236;CC(F)(CO)CNC=O;IXRLPYIHKNMVEA-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138237;MM138237;N=CNCC(F)(F)CO;ISFXORTUJPDZMC-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138238;MM138238;O=CNCC(F)(F)CO;KEXPOGKNTQYBRB-UHFFFAOYSA-N;139.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138239;MM138239;C=NNCC(C)(C)CC;DMCAFXPRUCTWEE-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138240;MM138240;CCCCC=NNC(C)=O;WXCXLQUGHHVRQS-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138241;MM138241;C=NNCC(C)(N)CO;WJUDGVYQDYIYHW-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138242;MM138242;C=NNC(=O)CCON=C;GXDXDDYUFHAARJ-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138243;MM138243;C=NNCC(C)(O)CN;LVSKEGHITGMQCB-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138244;MM138244;C=NOCOC(=O)C(N)=O;WQBNBAZMIDUXDI-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138245;MM138245;CNC(C)(C)CNC=N;JVYJNWOKLLTSQR-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138246;MM138246;CNC(C)(C)CNC=O;QLSKLDSIGGFWJJ-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138247;MM138247;COC(C)(C)CNC=N;CANKEUYNRMXQBD-UHFFFAOYSA-N;130.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138248;MM138248;C=COCC(C)(C)CC;GMAGPTHCQMXRJY-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138249;MM138249;CCC(C)(C)COC=O;MAWDWNBQPRMGKA-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138250;MM138250;C=COCC(C)(C)CN;RNZNIUOWUIDONW-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138251;MM138251;CC(C)(CN)COC=O;KENZRKRJUWUSIO-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138252;MM138252;C=COCC(C)(C)CO;NUJUOKYDQOVNBK-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138253;MM138253;CC(C)(CO)COC=O;WPKBKWVNPBFXBH-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138254;MM138254;C=COCC(C)(C)CF;WHZCATDBVXXYMX-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138255;MM138255;CC(C)(CF)COC=O;IXXFJGZTWIUTNT-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138256;MM138256;C=COCC(C)(N)CC;LTBSFUYHEKEMRV-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138257;MM138257;C=COCC(C)(N)CN;QZYFOJUXDNNKKX-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138258;MM138258;CC(N)(CN)COC=O;ZZYNAARGEXTMFI-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138259;MM138259;C=COCC(C)(N)CO;YLKPTXGRWAUFNI-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138260;MM138260;CC(N)(CO)COC=O;SCVZQLQOEFYSGC-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138261;MM138261;C=COCC(C)(O)CC;PWNMSZLBABYSAH-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138262;MM138262;CC(O)(CN)COC=O;DIUJZCHEHHTPHV-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138263;MM138263;CC(O)(CO)COC=O;IHEZIOJVKCHBTD-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138264;MM138264;C=COCC(C)(F)CC;ZAFYQYIKVFBQNH-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138265;MM138265;CCC(C)(F)COC=O;BUTXTSXCIRRHBZ-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138266;MM138266;C=COCC(C)(F)CN;SNRAXJGYCFSLJX-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138267;MM138267;CC(F)(CN)COC=O;WZCPIVQFZOIYFS-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138268;MM138268;CC(F)(CF)COC=O;WELAUOBEUJYHRQ-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138269;MM138269;C=COCC(F)(F)CC;BFUVFIKSWWEPSI-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138270;MM138270;CCC(F)(F)COC=O;CSZKKFWXQYNQCR-UHFFFAOYSA-N;138.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138271;MM138271;C=NOCC(C)(C)CC;VZSZATZZASHAHV-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138272;MM138272;C=NOCC(C)(C)CN;RYZYJDZXQYRKSY-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138273;MM138273;C=CCN(C=NO)C(=C)C;BFEIKIQPKCKCRH-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138274;MM138274;C=NOCC(C)(C)CF;HWCHPBFQQMKOKF-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138275;MM138275;C=NOCC(C)(N)CC;YSZVQDNXJRVQRE-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138276;MM138276;C=NOCC(C)(N)CN;IUHPYJRTOCNSGL-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138277;MM138277;C=NOCC(C)(N)CO;MMDBQLSNIQOHIN-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138278;MM138278;NNC(=O)NC=C(F)CO;BZYGUQRDKCRSJR-UHFFFAOYSA-N;149.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138279;MM138279;C=NOCC(C)(O)CN;VNIKHPGLOPKGMI-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138280;MM138280;C=NOCC(C)(F)CC;GHLCJGKHDPDVIB-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138281;MM138281;C=NOCC(F)(F)CC;IRRHTAIAFQNLLW-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138282;MM138282;C=COCC(C)(C)NC;AZRDIRQGMPGNRO-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138283;MM138283;C=NOCC(C)(C)NC;KRQIENRDTZLKPX-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138284;MM138284;C=COCC(C)(C)OC;GJMZLCSMQTUVHO-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138285;MM138285;COC(C)(C)COC=O;DNCXBAOAOSOFNJ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138286;MM138286;C=NOCC(C)(C)OC;LXHBDGFIFBYSOC-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138287;MM138287;C=CCNC(C)(C)CC;RJQWIADKZDEBMQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138288;MM138288;CCC(C)(C)NCC=O;RYZLLHYNYRKWTC-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138289;MM138289;CCC(C)(C)NCC#N;XJFYZYNENJGABR-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138290;MM138290;C=CCNC(C)(C)CF;IUWULCFNWZUNKY-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138291;MM138291;CC(C)(CN)NNC=N;RZJNITLQAZMKBQ-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138292;MM138292;CC(C)(CN)NNC=O;FOOBPZSBPWTMTM-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138293;MM138293;CC(C)(CO)NNC=N;BBGQMYBMSHHGNX-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138294;MM138294;C=CC(CF)NC(C)=NO;VTIDKZXRFPWAIX-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138295;MM138295;C#CC(=NN)NNC(N)=O;IBIORLSVZDGTIZ-UHFFFAOYSA-N;141.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138296;MM138296;C=CCOC(C)(C)CC;XWDYFVMBWGGLNR-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138297;MM138297;CCC(C)(C)OCC=O;ANWMCKCJHLVBSW-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138298;MM138298;CCC(C)(C)OCC#N;JDHWJOHWGGAIJL-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138299;MM138299;C=CCOC(C)(C)CN;WDCJLLFDSAAKBC-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138300;MM138300;C=CCOC(C)(C)CO;VFNQREBSABMTKK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138301;MM138301;CC(C)(CF)OCC=O;LWMDITWDKOXNGQ-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138302;MM138302;C=CCOC(C)(C)OC;VQDSIAMWMIZPGX-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138303;MM138303;CCC(C)(C)ONC=N;XRNRWGRZWCEVRY-UHFFFAOYSA-N;130.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138304;MM138304;CCC(C)(C)ONC=O;AUIQJOPUTFITRA-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138305;MM138305;CC(C)(CN)ONC=N;WIWGXIKBDBBTCG-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138306;MM138306;CC(C)(CN)ONC=O;ATPNEXDFMQHMBX-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138307;MM138307;CC(C)(CF)ONC=N;ODRMIZJMAKVKFZ-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138308;MM138308;CC(C)(CF)ONC=O;HNENEKPMCQIVMW-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138309;MM138309;COC(C)(C)ONC=O;SOAHPXGKHZIJBU-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138310;MM138310;C#CCCC(C)(C)CC;YWROTWQVHDGNAE-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138311;MM138311;C#CCCC(C)(C)CN;WUANUHPPKUOSQV-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138312;MM138312;C#CCCC(C)(N)CC;ILLJHGFBDNXDDE-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138313;MM138313;C#CCCC(C)(N)CN;NKTDSRIBMWDSRR-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138314;MM138314;C#CCNC(=N)C(=O)NN;OCWBPDRVAOYTRD-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138315;MM138315;C#CCCC(C)(O)CF;ZERDNLGGYQDCRI-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138316;MM138316;C#CCCC(C)(F)CC;WBUTURTYQPDVGE-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138317;MM138317;C#CCCC(C)(F)CN;JRPUVBRQWALIDE-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138318;MM138318;C#CCCC(C)(F)CF;ZDQOSUWEFGGUQQ-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138319;MM138319;C#CCCC(F)(F)CC;RFZAGYRIDRIYKH-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138320;MM138320;C#CCCC(C)(C)NC;ABKXXWFYVIOCAJ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138321;MM138321;C#CCCC(C)(C)OC;NSSWLBKGGFAZHL-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138322;MM138322;C#CCNC(C)(C)CC;UVVOTWUGXXHXRJ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138323;MM138323;C#CCNC(C)(C)CN;YYTDTGMRBNJHPQ-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138324;MM138324;C#CCOC(C)(C)CC;KPRFAQUFNYONMA-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138325;MM138325;C#CCOC(C)(C)CF;XLBQSGYRGYAVRX-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138326;MM138326;C=CC(C)(C)CCCC;WETAFQBUDAJCAM-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138327;MM138327;C=CC(C)(C)CCCN;BUSTULNDNIEOFA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138328;MM138328;C=CC(C)(C)CCCO;KIPFPTCLKVLIHS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138329;MM138329;C=CC(C)(C)CCCF;AUVYPOQYHWSTIZ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138330;MM138330;CCCCC(C)(C)C=O;PGEITMLMCONAGQ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138331;MM138331;CCCCC(C)(C)C#N;LXVMQKREAPQFPN-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138332;MM138332;CC(C)(C=O)CCCO;RJIYWRKYNYSLCO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138333;MM138333;CC(C)(C#N)CCCO;JFMCFDHFFLIOIF-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138334;MM138334;CC(C)(C=O)CCCF;MXLLUSNCGCJKPS-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138335;MM138335;CC(C)(C#N)CCCF;OHAAHZAQECEKFL-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138336;MM138336;C=CC(C)(N)CCCC;AHXCRIMLVVGGOH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138337;MM138337;C=CC(ON=C)C(=O)C#N;KQCWAMRZSRPCDN-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138338;MM138338;CCCCC(C)(O)C=O;UZFZXFNCUUULCV-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138339;MM138339;CCCCC(C)(O)C#N;CTRMPDFUGMJXKE-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138340;MM138340;CC(O)(C#N)CCCO;RDYWENIHBPQTGZ-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138341;MM138341;C=CC(C)(F)CCCC;GBORPRUMMKCLJT-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138342;MM138342;C=CC(C)(F)CCCF;SOMQGGIOPXCOTL-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138343;MM138343;CCCCC(C)(F)C=O;NNEMASBDJWSNRV-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138344;MM138344;CCCCC(C)(F)C#N;FHWPUJHIVXTOCY-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138345;MM138345;CC(F)(C#N)CCCF;WLOJXBOSKOAXIG-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138346;MM138346;C=CC(F)(F)CCCC;XBARLDKZWQKYAL-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138347;MM138347;C=CC(F)(F)CCCN;LYGPQYQOUHHIHU-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138348;MM138348;C=CC(F)(F)CCCO;RGYFPPMXLFKZGM-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138349;MM138349;C=CC(F)(F)CCCF;FSPDQWPLLHUFAW-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138350;MM138350;N#CC(F)(F)CCCO;ALXFRWGCRCBYCI-UHFFFAOYSA-N;135.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138351;MM138351;C=CC(C)(C)CCNC;FKKRXQAHMFOZBY-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138352;MM138352;CNCCC(C)(C)C=O;MPPJCSXMCNECSH-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138353;MM138353;CNCCC(C)(C)C#N;UQELWKSBSAAGTQ-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138354;MM138354;C=CC(F)(F)CCNC;CKYFQZQVWUCUQG-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138355;MM138355;CNCCC(F)(F)C#N;NZXSBVLLKHYPSC-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138356;MM138356;C=CC(C)(C)CCOC;XLZRLHODQJGAKG-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138357;MM138357;COCCC(C)(C)C=O;CUSSQYDYYJBCCK-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138358;MM138358;COCCC(C)(C)C#N;IGPFSCWWRKBRHF-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138359;MM138359;C=CC(C)(N)CCOC;RSYCJUDDWSHCGU-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138360;MM138360;C=CC(C)(O)CCOC;OYSJEQCWWHULSD-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138361;MM138361;C=CC(C)(F)CCOC;LURCEKXBZDMSTE-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138362;MM138362;COCCC(C)(F)C#N;UBBVGRJCLQABRP-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138363;MM138363;C=CC(F)(F)CCOC;OYMFJKPDUVFCKO-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138364;MM138364;COCCC(F)(F)C#N;DBXWPQPACJUEAU-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138365;MM138365;C=CC(C)(C)CNCC;WBGFOBUXMJBFSD-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138366;MM138366;CCNCC(C)(C)C=O;ACBJRUWAYODKST-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138367;MM138367;CCNCC(C)(O)C=O;FXVOLZICOGWXKO-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138368;MM138368;C=CC(C)(F)CNCC;GLJSATYTSNVEHQ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138369;MM138369;C=CC(C)(C)COCC;AEKBVMGQJIMNOL-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138370;MM138370;CCOCC(C)(C)C=O;NUOHNRXFTUDOLD-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138371;MM138371;CCOCC(C)(C)C#N;JZZOAVOPIHJIDE-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138372;MM138372;C=CC(C)(N)COCC;KYCHVDRXILKSLI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138373;MM138373;C=CC(C)(O)COCC;UERXZDNKCPYSRI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138374;MM138374;CCOCC(C)(O)C=O;YTKYXNAIURXHDK-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138375;MM138375;C=CC(C)(F)COCC;NBRGTBBTZFUAMD-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138376;MM138376;CCOCC(C)(F)C#N;LUJBWTJNQBBDRO-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138377;MM138377;CCOCC(F)(F)C=O;UXJPJDKJFXOLGE-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138378;MM138378;CCOCC(F)(F)C#N;LAXRMDAPGMRKAD-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138379;MM138379;C=CC(C)(C)NCCC;HHWRJQYQOUGMFD-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138380;MM138380;C=CC(C)(C)NCCN;BAMMAXJPSJWWQX-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138381;MM138381;C=CC(C)(C)NCCF;LHZPBYLLKIKCNY-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138382;MM138382;CCCNC(C)(C)C=O;AHXIJZCCLIRRAV-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138383;MM138383;CCCNC(C)(C)C#N;GBHLFBASZRNXIE-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138384;MM138384;C=CC(C)(C)OCCC;AROOTUDSOLNMEI-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138385;MM138385;C=CC(C)(C)OCCN;RAJJJOMYKQRMTH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138386;MM138386;C=CC(C)(C)OCCO;RAXWHJDZEHENHY-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138387;MM138387;C=CC(C)(C)OCCF;JBPBFISJZGLAGN-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138388;MM138388;CCCOC(C)(C)C=O;AMYWCLOUFDSHLP-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138389;MM138389;CCCOC(C)(C)C#N;IWZVAUOXAZRLCT-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138390;MM138390;CC(C)(C=O)OCCO;NIVRGIRMRYTZLL-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138391;MM138391;CC(C)(C#N)OCCF;ORUCJKQEBBBRPD-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138392;MM138392;C=CC(C)(C)OCOC;OBYWKZUGCMTMKM-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138393;MM138393;C=CCCC(C)(C)C=C;YWOCVROBRVNVFV-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138394;MM138394;C=CC(C)(C)CCC=O;ZVXXXUXOTJFLGK-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138395;MM138395;C=CC(C)(C)CCC#N;BHDRLNDMONOPOD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138396;MM138396;C=CCCC(C)(C)C=O;KGRGYLRBOKDMAX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138397;MM138397;C=CCCC(C)(C)C#N;FMYANDVTIGLEES-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138398;MM138398;CC(C)(C=O)CCC=O;VGXVOFKVMRTZLS-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138399;MM138399;CC(C)(C=O)CCC#N;HKJVKIURQSVEQB-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138400;MM138400;CC(C)(C#N)CCC=O;RCIOUJMZXMSCOF-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138401;MM138401;CC(C)(C#N)CCC#N;YTAGXUZOUXMDHY-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138402;MM138402;C=CCCC(C)(N)C=C;DCLRXFLVYFTGMY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138403;MM138403;NNC(=NO)NOCCO;RPVHIYABFUNCRH-UHFFFAOYSA-N;150.14;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138404;MM138404;C=CC(C)(O)CCC#N;UZGMVWYESRSHOU-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138405;MM138405;CC(O)(C=O)CCC=O;GJRXTTOBZNGRLH-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138406;MM138406;CC(O)(C#N)CCC=O;DOARSMQAPFOBCC-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138407;MM138407;C=CCCC(C)(F)C=C;NRVLDFSRDHKLJF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138408;MM138408;C=CC(C)(F)CCC#N;NVFHUUPDIKXYMM-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138409;MM138409;C=CCCC(C)(F)C=O;FVIAXHKWJBZXOL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138410;MM138410;C=CCCC(C)(F)C#N;SNJOQYPYPFKRQA-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138411;MM138411;CC(F)(C=O)CCC#N;FDOOCSOTSVSENK-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138412;MM138412;CC(F)(C#N)CCC=O;IKQOONKSSJYKSU-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138413;MM138413;C=CCCC(F)(F)C=C;UJZMNBUHLWGNLX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138414;MM138414;C=CC(F)(F)CCC=O;RAFAOFDFAJNCJE-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138415;MM138415;C=CC(F)(F)CCC#N;HIBKUIIRTNHUKG-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138416;MM138416;N#CC(F)(F)CCC=O;ZUQMNJQAGRWVOK-UHFFFAOYSA-N;133.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138417;MM138417;N#CCCC(F)(F)C#N;UNUDZLLYNJEDCX-UHFFFAOYSA-N;130.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138418;MM138418;C=CC(C)(C)CNC=N;JWBRJHQDPGFESX-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138419;MM138419;CNC(=NO)NN=CCF;IIRNIFLIRODICR-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138420;MM138420;C=CC(C)(N)CNC=N;CTRDRZYSELIRGD-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138421;MM138421;C=CC(C)(N)CNC=O;MYXSQFGKXGRBLM-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138422;MM138422;C=CC(C)(O)CNC=O;ZLECWCLPQSLXAJ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138423;MM138423;C=CC(C)(F)CNC=N;AZMPGZTUGBWAHT-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138424;MM138424;CCC(C=NNC=O)=NN;ZIXUJMAPUMEANX-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138425;MM138425;C#CC(C#C)C(=O)NNC;RAYYPAOFEYNKLO-UHFFFAOYSA-N;136.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138426;MM138426;C=CCC1=CNC(=NO)C1;NPYBVZXSQHTGIY-UHFFFAOYSA-N;138.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138427;MM138427;C=CC(C)(F)CNN=C;RCRKCGZMYVHMHR-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138428;MM138428;C#CC(C#N)C(C)N1CC1;QQZNIMXEFCQQQC-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138429;MM138429;CCC1C=CC(=NO)CC1;FQIFVPKZQYJKAO-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138430;MM138430;C=COCC(C)(C)C=C;HTORFXGHKSABPH-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138431;MM138431;C=CC(C)(C)COC=O;ZPVFACKLSJDRAP-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138432;MM138432;C=COCC(C)(C)C=O;DXMFMMGJQLSWSA-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138433;MM138433;C=COCC(C)(C)C#N;BVULLDBCXIUGLI-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138434;MM138434;CC(C)(C#N)COC=O;ZLSPPOLWYKCQKB-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138435;MM138435;C=COCC(C)(N)C=C;YRECUBQFEOIYTE-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138436;MM138436;C=COCC(C)(O)C=C;OFSAXQUTCJQHLR-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138437;MM138437;CC(O)(C=O)COC=O;AXMUCUVAALHNKU-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138438;MM138438;CC(O)(C#N)COC=O;TZFOVGNBRYSPQJ-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138439;MM138439;C=COCC(C)(F)C=C;ZPLFUZCUPOXOKP-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138440;MM138440;C=CC(C)(F)COC=O;XHDZCEMYZOTMJE-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138441;MM138441;C=COCC(C)(F)C#N;NAPHPEZXTUFJMX-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138442;MM138442;CC(F)(C=O)COC=O;CKINCZGISPTTAU-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138443;MM138443;C=COCC(F)(F)C=C;RSTXFCYUHHZREL-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138444;MM138444;C=CC(F)(F)COC=O;RUEACPHJPFIIIJ-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138445;MM138445;C=COCC(F)(F)C#N;YFZZQFRWARXRNH-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138446;MM138446;N#CC(F)(F)COC=O;SGOKOZNVXWZIMR-UHFFFAOYSA-N;135.07;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138447;MM138447;C=CC(C)(C)CON=C;NOWLWLWSTLZZCX-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138448;MM138448;C=NOCC(C)(C)C#N;XIXKYPIQMAEWNG-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138449;MM138449;C=CC(C)(F)CON=C;JJIISKDZBJOFCP-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138450;MM138450;C=CCNC(C)(C)C=C;DKTXMOVENPUBMA-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138451;MM138451;C=CC(C)(C)NCC#N;CSMCSJSURUWBFU-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138452;MM138452;C=CCNC(C)(C)C#N;NAPFDVHLVLVULV-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138453;MM138453;CC(C)(C#N)NCC#N;ODTNPMJHSOKCRA-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138454;MM138454;C=CC(C)(C)NNC=N;BYKICEAYLUSDAY-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138455;MM138455;N=C1NOC(C=O)O1;XBKKSJSFDHSXPE-UHFFFAOYSA-N;116.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138456;MM138456;C=CCOC(C)(C)C=C;ADALJIOSXJPEFD-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138457;MM138457;C=CC(C)(C)OCC=O;YKJLEAGYJPREIZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138458;MM138458;C=CC(C)(C)OCC#N;FBOVAULYYWMSCE-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138459;MM138459;C=CCOC(C)(C)C=O;KVEFIHAXGGOWSH-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138460;MM138460;C=CCOC(C)(C)C#N;PZCUVFZPJWAEEU-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138461;MM138461;C=CC(C)(C)ONC=N;NOOSNTSSFJXOBD-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138462;MM138462;C=CC(C)(C)ONC=O;RUANNROXFXSVTF-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138463;MM138463;CC(C)(C=O)ONC=O;WNCGDNNSWBBXHS-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138464;MM138464;C#CCCC(C)(C)C=C;CEVRKNHFBQRYRR-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138465;MM138465;C#CCCC(C)(C)C=O;IZIYNRZYWXARCW-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138466;MM138466;C#CCCC(C)(C)C#N;YJRKEEIEBWKHKA-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138467;MM138467;C#CCCC(C)(N)C=C;KZTPMCZLVJCDCU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138468;MM138468;NN=CC=NNC=O;YCGOJRYDVYOLLD-UHFFFAOYSA-N;114.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138469;MM138469;C#CCCC(C)(O)C#N;ZOXCFTDTMXWOSN-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138470;MM138470;C#CCCC(C)(F)C=C;ZNPSWKUQJWLXIB-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138471;MM138471;C#CCCC(C)(F)C=O;LBUQYHRYLVCBQT-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138472;MM138472;C#CCCC(C)(F)C#N;JFMHKJSKVJZJPZ-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138473;MM138473;C#CCCC(F)(F)C=C;OCDNGPGSZQOVBY-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138474;MM138474;C#CCCC(F)(F)C#N;FXCDYZKNBYKJCK-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138475;MM138475;C#CCNC(C)(C)C=C;CVGYIBJQTDQUBD-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138476;MM138476;C#CCOC(C)(C)C=C;DZHGNTNRKLACJS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138477;MM138477;C#CCOC(C)(C)C#N;YEPRRNSKOZVGMI-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138478;MM138478;C#CC(C)(C)CCCC;UPTFUJJCRPSZJF-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138479;MM138479;C#CC(C)(C)CCCN;KMWGMSOUHJGLQC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138480;MM138480;C#CC(C)(C)CCCO;GMHRTVBWJWCWNS-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138481;MM138481;C#CC(C)(C)CCCF;OJVMXEHEDHHPQK-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138482;MM138482;C#CC(C)(N)CCCC;JWMHLPABPVLWNT-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138483;MM138483;C#CC(C)(N)CCCO;TXLKXEAUJXOGBM-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138484;MM138484;C#CC(C)(O)CCCC;KHKXRZKMAVADSE-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138485;MM138485;C#CC(C)(O)CCCN;ZSEWGOWFCZIHNY-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138486;MM138486;C#CC(C)(F)CCCC;SHRNEZIWMKAHKL-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138487;MM138487;C#CC(F)(F)CCCC;MSIVLUBVSCJIJT-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138488;MM138488;C#CC(F)(F)CCCN;BUVAKQOIRWEFGF-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138489;MM138489;C#CC(C)(C)CCNC;IGDXZDASNVVQPS-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138490;MM138490;C#CC(C)(C)CCOC;YELHIAZMUNXSMB-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138491;MM138491;C#CC(C)(F)CCOC;JYKVCIYZGRNDFR-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138492;MM138492;C#CC(F)(F)CCOC;PCRVZFWKWKYTFU-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138493;MM138493;C#CC(C)(C)CNCC;RDDIZXFVBQNCIO-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138494;MM138494;C#CC(C)(C)COCC;QTNDNLXEZAISPV-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138495;MM138495;C#CC(C)(F)COCC;CYULOZQFAMHLQC-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138496;MM138496;C#CC(F)(F)COCC;NUPWRHXQKNRZAG-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138497;MM138497;C#CC(C)(C)NCCC;ULIKPFJASMMEKU-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138498;MM138498;C#CC(C)(C)OCCC;ADKNQGAZIQZFQV-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138499;MM138499;C#CC(C)(C)OCCN;ALWQUJANYYBTOX-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138500;MM138500;C#CC(C)(C)OCCF;QNZRBXLJCQASMU-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138501;MM138501;C#CC(C)(C)OCOC;SDNZYVGVLDSSEM-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138502;MM138502;C#CC(C)(C)CCC=C;OLCLYPPSRIHOAB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138503;MM138503;C#CC(C)(C)CCC=O;PPPCDLWSEAOPAD-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138504;MM138504;C#CC(C)(C)CCC#N;AWFNXRASRHFRGN-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138505;MM138505;C#CC(C)(N)CCC=C;TXNOVLSPYXUOOG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138506;MM138506;C#CC(C)(O)CCC=C;PVJVUJJZSINIGV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138507;MM138507;C#CC(C)(O)CCC=O;WOXRZYZCNVSTPM-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138508;MM138508;C#CC(C)(F)CCC=C;HUXVTMDXDUKWCT-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138509;MM138509;C#CC(C)(F)CCC#N;OKSFFZNITILFJQ-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138510;MM138510;C#CC(F)(F)CCC=C;YQELFXGYDNICFA-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138511;MM138511;C#CC(F)(F)CCC=O;IEZWCPDOGPFNGF-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138512;MM138512;C#CC(F)(F)CCC#N;CBJAGZZTNVDONF-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138513;MM138513;C#CC(C)(C)CNC=N;BVZARIBRVWLGNN-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138514;MM138514;C#CC(C)(N)CNC=N;LEJJTBGIOFBDCL-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138515;MM138515;C#CC(C)(N)CNC=O;NEYJQUFSPBGFFT-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138516;MM138516;C#CC(C)(O)CNC=N;PDIIGSXCTYMWCK-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138517;MM138517;C#CC(C)(O)CNC=O;CBNDNLKDUJSOFF-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138518;MM138518;C#CC(C)(C)CNN=C;NZOLFEWFAMHEJO-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138519;MM138519;C#CC(C)(F)CNN=C;NVXATDYFTQNJTD-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138520;MM138520;C=NOCOC(=O)NN;RIYLEACMWSWWKK-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138521;MM138521;C#CC(C)(C)COC=C;UCVBKRWCAMQTSG-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138522;MM138522;C#CC(C)(C)COC=O;GGAXAEOZCUDRIF-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138523;MM138523;C#CC(C)(F)COC=C;CQKJCKIRJRSVLB-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138524;MM138524;C#CC(F)(F)COC=O;RXRUYIJIQNOBNF-UHFFFAOYSA-N;134.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138525;MM138525;C#CC(C)(C)CON=C;NGKMSIPXFFBTNM-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138526;MM138526;C#CC(C)(F)CON=C;XRTQKEGZTCIDNG-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138527;MM138527;C#CC(F)(F)CON=C;GZZRCQWLQBFPIH-UHFFFAOYSA-N;133.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138528;MM138528;C#CC(C)(C)NCC=C;JMSSKLVBNDJPQU-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138529;MM138529;C#CC(C)(C)NCC#N;UIJZIRLFKCOPHP-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138530;MM138530;C#CC(C)(C)NNC=N;VQOHEKBRGTXOOL-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138531;MM138531;CC=CCC(=NO)NC;NXGXNYXFBSKNPR-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138532;MM138532;C#CC(C)(C)OCC=C;FZKBMYHGRUOFME-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138533;MM138533;C#CC(C)(C)OCC=O;PZJSOMIMEJUGQR-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138534;MM138534;C#CC(C)(C)ONC=N;LQHAQRXSWKBNHS-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138535;MM138535;C#CC(C)(C)ONC=O;IORVQIYTXYFFHO-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138536;MM138536;C#CCCC(C)(C)C#C;NJARXTGDJFCBCM-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138537;MM138537;C#CCCC(C)(N)C#C;GUQFCDILKZBPBK-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138538;MM138538;C#CCCC(C)(O)C#C;GYQRKXYJJYBUAE-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138539;MM138539;C#CCCC(C)(F)C#C;DADXSGSOXAQCSC-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138540;MM138540;C#CCCC(F)(F)C#C;GEYLBSKBWVXZRJ-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138541;MM138541;C#CCOC(C)(C)C#C;XRYQWQTVQKGFLV-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138542;MM138542;CC=CCC(C)(C)CC;SVOYXAOBNIDNCG-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138543;MM138543;CCC(C)(C)CC=CF;RMMDUPYFYAUQNO-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138544;MM138544;CC=CCC(C)(C)CN;NCEYHJCGMBJLOG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138545;MM138545;CC(C)(CN)CC=CF;KLSMAJPALJDXHJ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138546;MM138546;CC=CNC(CC)=NO;NXDHOAUMQLPWSK-UHFFFAOYSA-N;128.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138547;MM138547;CC=CCC(C)(C)CF;ZNTWLDOXWDGSQW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138548;MM138548;CC(C)(CF)CC=CF;WLNBVDAQWXEZNB-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138549;MM138549;CC=CCC(C)(N)CC;MWWRTDYZGSHQNC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138550;MM138550;CCC(C)(N)CC=CF;BMXNCAXPAHPPSO-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138551;MM138551;CC=CCC(C)(N)CN;MGNMYUCPDHZNKE-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138552;MM138552;CC=CCC(C)(N)CF;JEVCDMWLWJMITI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138553;MM138553;C#CC=CCNC=NO;HMPWLYLMBAGCHY-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138554;MM138554;CCC(C)(O)CC=CF;OGZCKLGYQWTOGP-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138555;MM138555;CC=CCC(C)(O)CO;ZZBXBKQSEGBOMF-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138556;MM138556;CC(O)(CO)CC=CF;HRBXEVIWYOLUDU-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138557;MM138557;CC(O)(CF)CC=CF;SSIPQWFVZABZTE-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138558;MM138558;CC=CCC(C)(F)CC;SUTMOBAYZIMENN-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138559;MM138559;CCC(C)(F)CC=CF;OKMWACQXCVREBC-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138560;MM138560;CC=CCC(C)(F)CN;RVJTUHJXGKADQF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138561;MM138561;CC(F)(CN)CC=CF;LFRCYMDHWJVFFX-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138562;MM138562;CC(F)(CO)CC=CF;FYOVCPJCDHAZKV-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138563;MM138563;CC(F)(CF)CC=CF;ZBPWAYLSWOMHTC-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138564;MM138564;CC=CCC(F)(F)CC;FJUMHXNBPQBMBC-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138565;MM138565;CCC(F)(F)CC=CF;CXBIHHMTLIQVJW-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138566;MM138566;FC=CCC(F)(F)CF;VSSQBXHCKZNBEN-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138567;MM138567;CCC(C)(C)CC=NN;QRVWTGUEBBIQBW-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138568;MM138568;C=NNC(=O)CCC#CC;FJEAZMYHILODDQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138569;MM138569;CC(C)(CN)CC=NO;XPLYNFVSPZKGEP-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138570;MM138570;C=C(CCF)C(=O)NC=N;PPNDKGFWIBGVTL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138571;MM138571;CC(C)(CO)CC=NO;GKHIVXQCDZGXRK-UHFFFAOYSA-N;131.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138572;MM138572;CC(C)(CF)CC=NN;IGOVPPBLKSYBGR-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138573;MM138573;CC(C)(CF)CC=NO;XKYUVZTZZZDRQE-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138574;MM138574;CC(N)(CN)CC=NO;ZWSMCRDXCGCAIO-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138575;MM138575;CC(N)(CO)CC=NO;OVZQRFXLXFMGKE-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138576;MM138576;C=CC(C)C=CC(C)=NO;BHORIKNUZYHGFI-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138577;MM138577;CC(O)(CN)CC=NO;JOTKQRNHWCJBLJ-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138578;MM138578;C#CC(=C)N(N)C(=O)NN;VSLYECLBJXFAJG-UHFFFAOYSA-N;140.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138579;MM138579;CC(O)(CO)CC=NO;IAIWSIHZAQRSLH-UHFFFAOYSA-N;133.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138580;MM138580;CC(O)(CF)CC=NO;SJJWKUDRRLWKEH-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138581;MM138581;CCC(C)(F)CC=NN;MMQPVEKQOHZGRI-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138582;MM138582;CCC(C)(F)CC=NO;PGTYGJFZGZWKOT-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138583;MM138583;CC(F)(CN)CC=NO;SGOCTVMCDSAWFV-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138584;MM138584;CC(F)(CF)CC=NN;OQJUYPTXZVLJFS-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138585;MM138585;CC(F)(CF)CC=NO;BIKNYOXNYXXZIH-UHFFFAOYSA-N;137.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138586;MM138586;CCC(F)(F)CC=NN;ZMPSMOJAICOHBR-UHFFFAOYSA-N;136.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138587;MM138587;CCC(F)(F)CC=NO;CNLNNBKZKKVHQB-UHFFFAOYSA-N;137.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138588;MM138588;CC=CCC(C)(C)NC;FGGCLMQDYWQNNI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138589;MM138589;CNC(C)(C)CC=CF;ZUKQYXWKESBKGA-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138590;MM138590;CNC(C)(C)CC=NN;LLWFDRAFNFKRGF-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138591;MM138591;CNC(C)(C)CC=NO;HOGRZFAOUQXJGO-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138592;MM138592;CC=CCC(C)(C)OC;AFXUPNCLUPNULI-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138593;MM138593;COC(C)(C)CC=CF;TZBCCMXHUYZSCF-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138594;MM138594;COC(C)(C)CC=NN;RWNMHMTXJZMJKE-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138595;MM138595;COC(C)(C)CC=NO;LONLDVBVVBLXGW-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138596;MM138596;CCC(C)(C)N=CNN;KRQRZHKCXLMUSY-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138597;MM138597;CN=CNC(C)(C)CN;KQCYQZGIVDLKNL-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138598;MM138598;CN=CNC(C)(C)CF;AYBPWRQYTHPGRG-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138599;MM138599;CC=NNC(C)(C)CC;YJMOJCMKKQZXFU-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138600;MM138600;CC=NNC(C)(C)CN;DGCQAOHAVJGODD-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138601;MM138601;CC=NNC(C)(C)CF;FGVBJFHGRKKWBB-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138602;MM138602;CC=COC(C)(C)CC;RTEUPTAPSGDBEJ-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138603;MM138603;CCC(C)(C)OC=CF;PPWWELGUKGSYDU-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138604;MM138604;CC=COC(C)(C)CN;KFUHZEWTZOZIFZ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138605;MM138605;CC(C)(CN)OC=CF;BGWJWLZQRDMHKD-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138606;MM138606;CC(C)(CO)OC=CF;OAQGAZPFDDLUHA-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138607;MM138607;CC=COC(C)(C)CF;VVPODZYSYBMYNH-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138608;MM138608;CN(OCCO)C(=O)NN;RBJWFFUVLHNSAB-UHFFFAOYSA-N;149.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138609;MM138609;CCC(C)(C)OC=NO;OILBUALBADDJPR-UHFFFAOYSA-N;131.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138610;MM138610;CC(C)(CN)OC=NO;DJZPHLOELSPZKK-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138611;MM138611;CC(C)(CF)OC=NO;ZMZBCLMZLNZYKU-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138612;MM138612;CC=COC(C)(C)OC;FEJFIWROECCXPD-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138613;MM138613;COC(C)(C)OC=CF;KYQAZYZXFGJBAO-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138614;MM138614;CC=NOC(C)(C)CC;AOUCJZHWDSRZTP-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138615;MM138615;CC=NOC(C)(C)CN;DATLMCZLTIHNOQ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138616;MM138616;CC=NOC(C)(C)CF;IUHXHFYOGBJWQX-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138617;MM138617;C=CC(C)(C)CC=CC;MUJZYQWSJHLFLC-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138618;MM138618;C=CC(C)(C)CC=CF;YYVJDNMTRVJHQK-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138619;MM138619;CC=CCC(C)(C)C=O;RTIRHTGJIQLEQV-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138620;MM138620;CC=CCC(C)(C)C#N;VPVPGBLFNPCLOY-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138621;MM138621;CC(C)(C=O)CC=CF;IKZSTLZRFOVBAO-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138622;MM138622;CC(C)(C#N)CC=CF;HPVBSTJOUACIRL-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138623;MM138623;C=CC(C)(N)CC=CC;IZOVPRCYUPOSIP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138624;MM138624;NNC(=O)C=NOCCO;PVXRCPXTZXUNAV-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138625;MM138625;C=CC(C)(O)CC=CF;OBWWNAADKXBHLW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138626;MM138626;CC(O)(C#N)CC=CF;OXZRSKBWMJWLHF-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138627;MM138627;C=CC(C)(F)CC=CC;MKUFHFFWMHVCPF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138628;MM138628;C=CC(C)(F)CC=CF;BQXFHSSPPONQAY-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138629;MM138629;CC=CCC(C)(F)C=O;NDIIKQDAVFFFTJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138630;MM138630;CC=CCC(C)(F)C#N;VMFGHNZKUJBMKR-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138631;MM138631;CC(F)(C=O)CC=CF;USFTURVOHRYGKP-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138632;MM138632;CC(F)(C#N)CC=CF;AXUWBYJZYUNVNK-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138633;MM138633;C=CC(C)(C)CC=NN;UMWFIMMCFRKYMF-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138634;MM138634;C=CC(C)(C)CC=NO;ONXAYLISLZIVCJ-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138635;MM138635;CC(C)(C#N)CC=NO;UFYFPGJTBWZTRW-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138636;MM138636;CCC(C=CN)=NNC=O;RWYWVBCRWOZFGB-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138637;MM138637;C=CC(C)(O)CC=NO;ALGLHJXPDJKWMY-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138638;MM138638;CC(O)(C=O)CC=NO;VEKRSIDMHUHNNN-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138639;MM138639;C=CC(C)(F)CC=NN;GNXFLOBTPJUFMB-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138640;MM138640;C=CC(C)(F)CC=NO;DVXKRCPQKMUAMM-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138641;MM138641;CC(F)(C#N)CC=NO;GVNDGACNNXFIIP-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138642;MM138642;C=CC(C)(C)NC=NC;BDYDYBTUDOYAHV-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138643;MM138643;C=CC(C)(C)N=CNN;DJRKXVVUCFAPHG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138644;MM138644;CN=CNC(C)(C)C#N;JNZGMINCIVPSMP-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138645;MM138645;C=CC(C)(C)NN=CC;UTAJCCBZHAEVBH-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138646;MM138646;CC=NNC(C)(C)C=O;HJOOYSXOBHZLSH-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138647;MM138647;OCCNNC(=NO)NO;YALPGOANAFINQF-UHFFFAOYSA-N;150.14;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138648;MM138648;C=CC(C)(C)OC=CC;FOHSOGRROWFADC-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138649;MM138649;C=CC(C)(C)OC=CF;XNQSSDFWHXFQCA-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138650;MM138650;CC=COC(C)(C)C=O;OYPNPDPQAQZHOU-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138651;MM138651;CC=COC(C)(C)C#N;WFSUOYYKYJNCDD-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138652;MM138652;CC(C)(C=O)OC=CF;BPOXHAOLWGXLPS-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138653;MM138653;CC(C)(C#N)OC=CF;XYJDLQBUXIHMAN-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138654;MM138654;C=CC(C)(C)OC=NO;BXROJAZOKAVSPO-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138655;MM138655;C=CC(C)(C)ON=CC;QOSWMWXKMDFRBX-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138656;MM138656;C#CC(C)(C)CC=CC;ADJZIDRUHFYZIR-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138657;MM138657;C#CC(C)(C)CC=CF;WVTWYYUYZZBPNB-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138658;MM138658;C#CC(C)(N)CC=CC;UMOKUXABXJJESS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138659;MM138659;C#CC(C)(N)CC=CF;JKSMZMWBNVBBRP-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138660;MM138660;C#CC(C)(O)CC=CC;VUJOSYIABLCOBE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138661;MM138661;C#CC(C)(F)CC=CC;KAWYKBYAMOQHEN-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138662;MM138662;C#CC(C)(F)CC=CF;CZCXNHYKPPDORI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138663;MM138663;C#CC(C)(C)CC=NN;XDGQJHDDFBZLDR-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138664;MM138664;C#CC(C)(C)CC=NO;UMDPYWMPQFGSNT-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138665;MM138665;C#CC(C)(F)CC=NO;GIFMVSNYDCQKGQ-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138666;MM138666;C#CC(C)(C)NC=NC;OQWBYVCNXJNXDO-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138667;MM138667;C#CC(C)(C)OC=CC;VJFDNUPAXKBSGQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138668;MM138668;C#CC(C)(C)OC=CF;QYTBZQBBSJAMFL-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138669;MM138669;C#CC(C)(C)ON=CC;IINJYMGYTDBMBL-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138670;MM138670;CC#CCC(C)(C)CC;FJNNFARCHOYVLN-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138671;MM138671;CC#CCC(C)(C)CN;KQLNXSSAXUYKHF-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138672;MM138672;COCC=CC(=NO)NN;XYAOCSCAUVJQGQ-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138673;MM138673;CC#CCC(C)(C)CF;JTVNGCOHQGTWOX-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138674;MM138674;CC#CCC(C)(N)CC;ATHOKYSPAAQBIO-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138675;MM138675;CC#CCC(C)(N)CN;XSEZJZGSDBAQRD-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138676;MM138676;CC#CCC(C)(N)CF;OCQACJQVQRTNRI-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138677;MM138677;CCC=C1CCC(=NO)N1;SOFARMFTKOALSU-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138678;MM138678;CC#CCC(C)(O)CF;UTESIZNDNSBSII-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138679;MM138679;CC#CCC(C)(F)CC;NFSFWLDBRFVHRE-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138680;MM138680;CC#CCC(C)(F)CN;CHLCYRZCWIDGSB-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138681;MM138681;CC#CCC(C)(F)CO;NFZJNSHGXBTIHJ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138682;MM138682;CC#CCC(F)(F)CC;ZZOGJRCNVSDZAK-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138683;MM138683;CC#CCC(C)(C)NC;XTGYRWXLZDPQRH-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138684;MM138684;CC#CCC(C)(C)OC;CVRSKUQIWGAHRT-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138685;MM138685;C=CC(C)(C)CC#CC;ONCGLNWXJXJIHS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138686;MM138686;CC#CCC(C)(C)C=O;SNQIZIHFWPTEBR-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138687;MM138687;CC#CCC(C)(C)C#N;FAFWHZFTBXRDKS-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138688;MM138688;C=CC(C)(N)CC#CC;QWRGJLLQEAUWSU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138689;MM138689;CC#CCC(C)(O)C=O;MTQRFGDZWXMVOW-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138690;MM138690;CC#CCC(C)(O)C#N;WIYZOOJZTVBWQE-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138691;MM138691;C=CC(C)(F)CC#CC;XAMIXBBCCPGHKA-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138692;MM138692;CC#CCC(C)(F)C=O;VACJVLKRVJKDRO-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138693;MM138693;CC#CCC(C)(F)C#N;PAPVZXVCAXKOIH-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138694;MM138694;C=CC(F)(F)CC#CC;IIWNYPFGGOUFRI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138695;MM138695;CC#CCC(F)(F)C=O;ABKOQPTYSCXCNJ-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138696;MM138696;CC#CCC(F)(F)C#N;QKCVQGFGJDIFAN-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138697;MM138697;C#CC(C)(C)CC#CC;LXVFOHYFIZGNHC-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138698;MM138698;C#CC(C)(N)CC#CC;HIZXJTQXFRACKA-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138699;MM138699;C#CC(C)(O)CC#CC;SJVRLUZCKVPWIR-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138700;MM138700;C#CC(C)(F)CC#CC;YKGBXQINKHDTAT-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138701;MM138701;C#CC(F)(F)CC#CC;YZKXUKPUBSZPSL-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138702;MM138702;CCC=CC(C)(C)CC;AIFYJKFSUPUCPY-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138703;MM138703;CCC(C)(C)C=CCN;IDLKCPGJMBEPKB-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138704;MM138704;CCC(C)(C)C=CCO;LLTQBFJXFZYFGW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138705;MM138705;CCC(C)(C)C=CCF;XWBLEHLQGOCVSL-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138706;MM138706;CCC=CC(C)(C)CN;ROMKUECNJDMDRA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138707;MM138707;CC(C)(C=CCN)CN;MVDLDOSSHBTPNI-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138708;MM138708;CC(C)(C=CCO)CN;IWWKGMNDGDIMFF-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138709;MM138709;CC(C)(C=CCF)CN;HSQGQQCPUYCSDR-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138710;MM138710;C=CCC1=CCC(=NO)N1;YEOSMTOTFFYLHR-UHFFFAOYSA-N;138.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138711;MM138711;CCC=CC(C)(C)CF;IDJGTPLXSQVMFV-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138712;MM138712;CC(C)(C=CCN)CF;QMTJKMWRKHQDRV-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138713;MM138713;CC(C)(C=CCO)CF;QJSRVFWANHIYOY-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138714;MM138714;CC(C)(C=CCF)CF;APIKAOWJSFPNRR-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138715;MM138715;CCC=CC(C)(N)CC;NCJBTXCYDHHVIH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138716;MM138716;CCC(C)(N)C=CCO;PPYLYMFQPOUQRM-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138717;MM138717;CCC(C)(N)C=CCF;LFGGTVRNLMGYHZ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138718;MM138718;CCC=CC(C)(N)CN;MVEOXTNZJLQPPR-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138719;MM138719;CC(N)(C=CCO)CN;VJXZOFOPQABYHP-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138720;MM138720;CC(N)(C=CCN)CO;AXMRZNVIDYRMOA-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138721;MM138721;CC(N)(C=CCO)CO;UDCUXCHXOPOOGF-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138722;MM138722;CC(N)(C=CCF)CO;OKRZHGNHNVGCSJ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138723;MM138723;CC(N)(C=CCO)CF;BDNYNTOLOTZQJW-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138724;MM138724;C=CCc1c[nH]c(CO)n1;MFLPICIZCDWSLA-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138725;MM138725;CCC(C)(O)C=CCN;HVODIBGNCWNLAV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138726;MM138726;CCC(C)(O)C=CCO;UFEOYRQDRAKDKR-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138727;MM138727;CCC(C)(O)C=CCF;NMLBDBMJXNTRIR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138728;MM138728;CC(O)(C=CCN)CN;OLLYEBULEDKNKA-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138729;MM138729;CC(O)(C=CCF)CN;YEBCXGPYMLCDMJ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138730;MM138730;CCC=CC(C)(O)CO;KJOHGZVYMVDLQU-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138731;MM138731;CC(O)(C=CCN)CO;OVIMQYUVTARJQC-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138732;MM138732;CC(O)(C=CCO)CO;DDXGJRMFBPGEJM-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138733;MM138733;CC(O)(C=CCN)CF;QIMFPRQUTYVPTQ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138734;MM138734;CCC=CC(C)(F)CC;UVJKMEFBQJFNKL-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138735;MM138735;CCC(C)(F)C=CCN;LVSCKMISEIFEHT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138736;MM138736;CCC(C)(F)C=CCO;PYBSGQVBVNIEIY-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138737;MM138737;CCC(C)(F)C=CCF;NWVPBXBXNORJJB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138738;MM138738;CCC=CC(C)(F)CN;FAXVTMJSWKBXOU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138739;MM138739;CC(F)(C=CCO)CN;PBTPJFGGXHBRRS-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138740;MM138740;CCC=CC(C)(F)CO;DECOJPBESCHJMG-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138741;MM138741;CC(F)(C=CCO)CO;RLCUNWBLCYYTNQ-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138742;MM138742;CCC=CC(C)(F)CF;NAFXNXVPNPMTPS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138743;MM138743;CCC(F)(F)C=CCF;KGFMOJNPPTVXQL-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138744;MM138744;CCC(C)(C)C=COC;WSXVGBYIFTZROP-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138745;MM138745;COC=CC(C)(C)CN;JAGOJCVTQJVVNC-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138746;MM138746;COC=CC(C)(C)CO;NDCFXGKZJBUEGQ-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138747;MM138747;COC=CC(C)(C)CF;ZVYXCMXLLSIQLH-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138748;MM138748;CCC(C)(N)C=COC;XGQWDHWRAYZXMZ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138749;MM138749;COC=CC(C)(N)CN;QUHSNHWDPHRIJK-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138750;MM138750;COC=CC(C)(N)CO;VGONCWHTTIDRBQ-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138751;MM138751;CCC(C)(O)C=COC;JBXIWDDWRHWRDH-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138752;MM138752;COC=CC(C)(O)CN;HGFCGANDJNDRGS-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138753;MM138753;CCC(C)(F)C=COC;UFMKEAWFDHZGMA-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138754;MM138754;COC=CC(C)(F)CN;DZWRRNZPGLURSM-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138755;MM138755;CCC(F)(F)C=COC;AASLHOOMBZPLEE-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138756;MM138756;CCC=CC(C)(C)NC;OPPZIPFNWVNRBI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138757;MM138757;CNC(C)(C)C=CCN;GUBGBPCEJVSONF-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138758;MM138758;CNC(C)(C)C=CCO;HVRXDGREZYPEDZ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138759;MM138759;CNC(C)(C)C=CCF;WEAOTFCZZWDSCP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138760;MM138760;CNC(C)(C)C=COC;DYQLIQZDZSWKQH-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138761;MM138761;CCC=CC(C)(C)OC;COZINKVMCUOZTB-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138762;MM138762;COC(C)(C)C=CCO;HAAXEFWGAIWXBP-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138763;MM138763;COC=CC(C)(C)OC;KRNRPWKSDIFILD-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138764;MM138764;CCC(C)(C)C=NNC;YHWLTHIZHQSMEM-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138765;MM138765;CNN=CC(C)(O)CN;WODUZFUFERZMOK-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138766;MM138766;C#CC1CN1C=NCC#N;SMGANFOKXFEDPO-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138767;MM138767;CCC(C)(F)C=NNC;WKHGDPRWUISTQO-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138768;MM138768;CCC1CCC(=NO)CC1;DHVASDVOMMPVBR-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138769;MM138769;CCC(C)(C)C=NOC;HEADNIVETPJEJR-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138770;MM138770;NNC(=O)C1CO1;MTWOGNFZNLQZJF-UHFFFAOYSA-N;102.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138771;MM138771;CON=CC(C)(C)CF;MREWJYJGLWBLSM-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138772;MM138772;CCC(C)(N)C=NOC;JFVVWWGUQIFZMX-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138773;MM138773;CON=CC(C)(N)CO;HNBNOGGRGBIDTK-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138774;MM138774;C=NNC(=O)CCC;IVJIJOUEWBURAT-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138775;MM138775;CON=CC(C)(O)CN;AEELECUSDHRHOZ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138776;MM138776;CCC(C)(F)C=NOC;YTRGZADWUNWZIB-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138777;MM138777;CCC(F)(F)C=NOC;HSVSKRWXYZJYMK-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138778;MM138778;CNC(C)(C)C=NOC;RPQRBHWFTOLNRV-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138779;MM138779;CNN=CC(C)(C)OC;NCSXNXPOFCKUIW-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138780;MM138780;CON=CC(C)(C)OC;BIULGHHBHASMRZ-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138781;MM138781;C=CC=CC(C)(C)CC;WJRREHJZVOKKFR-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138782;MM138782;CCC(C)(C)C=CC=O;LKXFFLOJIAEOQW-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138783;MM138783;CCC(C)(C)C=CC#N;LQVXPXPJJXIDPV-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138784;MM138784;C=CC=CC(C)(C)CN;XRPFNDDDFOIQDM-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138785;MM138785;C=C(C)N(C)C=NO;TUPIPYHCYRPWIS-UHFFFAOYSA-N;114.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138786;MM138786;NNC(=O)NC=CF;VGWMKGOYROZAEU-UHFFFAOYSA-N;119.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138787;MM138787;C=CC=CC(C)(C)CF;NLHNPPHFAPMFQT-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138788;MM138788;CC(C)(C=CC=O)CF;UHRRNMYPZVPNET-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138789;MM138789;CC(C)(C=CC#N)CF;RDIVWELVZOKENI-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138790;MM138790;C=CC=CC(C)(N)CC;JFPFYPYWKMDSRI-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138791;MM138791;C=CC=CC(C)(N)CF;SCXOTTUGGSSZFY-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138792;MM138792;COc1nc(C)c[nH]1;LEEAPWVDULNVIL-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138793;MM138793;CCC(C)(O)C=CC=O;AGOWIBQMVGRDGE-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138794;MM138794;CCC(C)(O)C=CC#N;BRGLDYJDEKZKKV-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138795;MM138795;C=CC=CC(C)(O)CF;LURAQSSPGIVPJP-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138796;MM138796;CC(O)(C=CC#N)CF;CMLVIKSIJHFKMU-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138797;MM138797;C=CC=CC(C)(F)CC;SMJSQNRZNABCMA-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138798;MM138798;CCC(C)(F)C=CC=O;DLTKVGFCEYAQJA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138799;MM138799;CCC(C)(F)C=CC#N;RCIMBHDHEBOFTR-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138800;MM138800;C=CC=CC(C)(F)CN;MDZIMYRBNSRFHL-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138801;MM138801;C=CC=CC(C)(F)CO;QLYOWTJKVJSZFZ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138802;MM138802;CC(F)(C=CC#N)CO;POJWIQSQLMTCKI-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138803;MM138803;CC(F)(C=CC=O)CF;ZHNQYFCCMNXCQX-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138804;MM138804;CCC(F)(F)C=CC=O;SXHWXYBZDSTKJE-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138805;MM138805;CCC(F)(F)C=CC#N;QYQAQSGLUMIYFV-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138806;MM138806;C=CC=CC(F)(F)CO;RRWRAXDTNMYILC-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138807;MM138807;N#CC=CC(F)(F)CO;NHMRBAFIUROXOK-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138808;MM138808;C=CC=CC(C)(C)NC;RQOUTKRGXHKKAZ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138809;MM138809;CNC(C)(C)C=CC=O;MVOAOKKTYJXRTJ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138810;MM138810;CNC(C)(C)C=CC#N;QKRBSDZGKMDJFY-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138811;MM138811;C=CC=CC(C)(C)OC;ATSNLZGFHYEDKB-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138812;MM138812;COC(C)(C)C=CC=O;IUUGIHJYFHFARL-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138813;MM138813;COC(C)(C)C=CC#N;UYPZRQHLKGRJKW-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138814;MM138814;C=NN=CC(C)(C)CC;ZDKBGSKSCFVJNO-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138815;MM138815;C=NN=CC(C)(C)CN;IHXHCFJKRAZEGB-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138816;MM138816;C=NN=CC(C)(C)CO;JVVIEYLMXRGOCA-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138817;MM138817;C=NN=CC(C)(C)CF;RPPZSFJKTDVZGV-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138818;MM138818;C=NN=CC(C)(N)CC;FSEYFMCLLPDHQN-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138819;MM138819;C=NN=CC(C)(O)CC;KDGCCEXNDNJBBQ-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138820;MM138820;C=NN=CC(C)(F)CC;DUBBQFYFPKPYDK-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138821;MM138821;C=NN=CC(C)(F)CN;VIZAUGFLFXLIEO-UHFFFAOYSA-N;131.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138822;MM138822;C=NN=CC(C)(F)CF;HDVQJOUQZDFSDO-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138823;MM138823;C=NN=CC(F)(F)CC;VTBOZXMNQPWGIY-UHFFFAOYSA-N;134.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138824;MM138824;C=NN=CC(C)(C)OC;IGVNKWYGBCGSAX-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138825;MM138825;C#CC=CC(C)(C)CC;OQRXUDCVIFIQQV-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138826;MM138826;C#CC=CC(C)(C)CN;KZZLJKYLBPONHH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138827;MM138827;C#CC=CC(C)(C)CF;NHHUQHOYXBXPHW-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138828;MM138828;C#CC=CC(C)(N)CC;YUENSKPEGOWVCD-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138829;MM138829;C=NNC(=O)CC(C)C;SYLYZSFYRVMORC-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138830;MM138830;C#CC=CC(C)(O)CO;AVRGGFWTEAVPDF-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138831;MM138831;C#CC=CC(C)(F)CC;BCPBAZDKJUMVMX-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138832;MM138832;C#CC=CC(C)(F)CN;MXFLNEUFTHLRRT-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138833;MM138833;C#CC=CC(C)(F)CO;GXLFBUOINLONLR-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138834;MM138834;C#CC=CC(C)(F)CF;VJOYNORXCZMNFG-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138835;MM138835;C#CC=CC(F)(F)CC;VVHLFTTXJNSCCL-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138836;MM138836;C#CC=CC(F)(F)CO;YGOHVPHPIXTZPJ-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138837;MM138837;C#CC=CC(C)(C)NC;WFNPGVWASRQCKZ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138838;MM138838;C#CC=CC(C)(C)OC;CEOBSQLCNKRBDQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138839;MM138839;C=CC(C)(C)C=CCC;KJPSTIOZRRVWEN-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138840;MM138840;C=CC(C)(C)C=CCN;HVYBOLUVFSKWSV-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138841;MM138841;C=CC(C)(C)C=CCO;BKIKIFZEVPEXMS-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138842;MM138842;C=CC(C)(C)C=CCF;ISJPJAYPQHRAOV-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138843;MM138843;CCC=CC(C)(C)C=O;ZZJBPHNCRQRPCA-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138844;MM138844;CCC=CC(C)(C)C#N;DZQNFCOMIBCSRS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138845;MM138845;CC(C)(C#N)C=CCO;NSKMEOYKZYBNOQ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138846;MM138846;CC(C)(C=O)C=CCF;GVBODZSHSBXTQO-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138847;MM138847;CC(C)(C#N)C=CCF;MMJFYECXUCDLFO-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138848;MM138848;C=CC(C)(N)C=CCC;RBYWGAOFZCFZQH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138849;MM138849;C=CC(C)(N)C=CCF;DGFOZQGEYBQLDT-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138850;MM138850;O=CNNCCC(F)F;LRQYPXSRJVDRPJ-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138851;MM138851;C=CC(C)(O)C=CCO;RJQZIPMDEUNCRT-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138852;MM138852;C=CC(C)(O)C=CCF;BBRKRGOTMJTDOJ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138853;MM138853;CCC=CC(C)(O)C=O;MFJLEKZOHRDUGQ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138854;MM138854;CCC=CC(C)(O)C#N;OJOKVDAPRMJCFR-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138855;MM138855;CC(O)(C=O)C=CCO;SIXFECQRTDFYNV-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138856;MM138856;CC(O)(C#N)C=CCO;ZCATTYSOHRHYSB-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138857;MM138857;CC(O)(C=O)C=CCF;MJHKKTRLVYLGLL-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138858;MM138858;C=CC(C)(F)C=CCC;PZJPFIPDWBSTPH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138859;MM138859;C=CC(C)(F)C=CCN;YFDHSVGGWMDMFN-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138860;MM138860;C=CC(C)(F)C=CCO;LKESBBHJMHCKPL-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138861;MM138861;C=CC(C)(F)C=CCF;SAAJUOIHVDHWCE-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138862;MM138862;CCC=CC(C)(F)C=O;QRQYLSMFONXBHJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138863;MM138863;CCC=CC(C)(F)C#N;UXGHQGZRDSWODX-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138864;MM138864;CC(F)(C=O)C=CCF;OKVFDEQQNNKJRV-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138865;MM138865;CC(F)(C#N)C=CCF;YCSWGKINFQZQLB-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138866;MM138866;C=CC(F)(F)C=CCF;UBIWQBMUFFESEY-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138867;MM138867;C=CC(C)(C)C=COC;DUHLPMGAKFAGPX-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138868;MM138868;COC=CC(C)(C)C=O;XLYGPBIIZDXQCE-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138869;MM138869;COC=CC(C)(C)C#N;UMELLBIISQDRRH-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138870;MM138870;C=CC(C)(N)C=COC;DZPLDIHIUFAWEG-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138871;MM138871;C=CC(C)(O)C=COC;DQLTYDKSZRPFKK-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138872;MM138872;C=CC(C)(F)C=COC;LSHJICPOJRSTKT-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138873;MM138873;COC=CC(C)(F)C#N;AQFHVBCZMDKOJJ-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138874;MM138874;COC=CC(F)(F)C=O;KGOBNMKSFKXTGN-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138875;MM138875;COC=CC(F)(F)C#N;GWKSTCKUYSCOCW-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138876;MM138876;C=CC(C)(C)C=NNC;OMZBPCAZCMDHCQ-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138877;MM138877;C=NNC(=O)CCCO;DMZFSHFMFVIRIG-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138878;MM138878;C=CC(C)(F)C=NNC;VYMUDQJCJOTGGK-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138879;MM138879;C=CCCC(=O)NN=C;OSKJIGQOSQRTCO-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138880;MM138880;C=CC(C)(C)C=NOC;VIOPWCLPBAPCDW-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138881;MM138881;CON=CC(C)(C)C=O;HKTCCIAUYVRYQC-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138882;MM138882;CON=CC(C)(C)C#N;VYRRZPJUSTZWPR-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138883;MM138883;C=CCNN(C)C=NO;CSMWXJKRBLVBJF-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138884;MM138884;C=CC(C)(F)C=NOC;TUWOHOUYEHOUAO-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138885;MM138885;C=CC(F)(F)C=NOC;ZICRLHSSFDKNMV-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138886;MM138886;C=CC=CC(C)(C)C=C;GQINVAUDERDJNH-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138887;MM138887;C=CC(C)(C)C=CC=O;NLGYQSSOYAAUGS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138888;MM138888;C=CC(C)(C)C=CC#N;XMNOIGGMALCZGW-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138889;MM138889;C=CC=CC(C)(C)C=O;STKFYDXQQSRQDD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138890;MM138890;C=CC=CC(C)(C)C#N;ROMDKYVPIHHVIR-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138891;MM138891;CC(C)(C=O)C=CC=O;FWPYPWPZJPDNOO-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138892;MM138892;CC(C)(C#N)C=CC=O;KPIFDDUMNKVWMS-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138893;MM138893;CC(C)(C=O)C=CC#N;OACNKENYBNHZPZ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138894;MM138894;CC(C)(C#N)C=CC#N;KZHMCSMYNCRZKW-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138895;MM138895;C=CC=CC(C)(N)C=C;FSRXKAXJIQJROC-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138896;MM138896;CC(C=CN)=NNC=O;GFBLSNXDQSSXIA-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138897;MM138897;C=CC(C)(O)C=CC=O;GSCOPSGLRYDSBA-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138898;MM138898;C=CC(C)(O)C=CC#N;BKBBCUSJQPIDKB-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138899;MM138899;C=CC=CC(C)(O)C=O;JJEPJQJUEGMKJY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138900;MM138900;C=CC=CC(C)(O)C#N;IGCITCDYTVSMLK-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138901;MM138901;C=CC=CC(C)(F)C=C;NBFOQTXXMAANOK-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138902;MM138902;C=CC(C)(F)C=CC=O;OZCVNJARIOJQCN-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138903;MM138903;C=CC(C)(F)C=CC#N;KMNIFVRABGUMIN-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138904;MM138904;C=CC=CC(C)(F)C=O;RIPWQVUSJGLLAP-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138905;MM138905;C=CC=CC(C)(F)C#N;GVONCDJTFVZQAX-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138906;MM138906;CC(F)(C=O)C=CC=O;UIDRGWJFTUHQOI-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138907;MM138907;CC(F)(C#N)C=CC=O;YVZNFNFJJXXOBX-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138908;MM138908;CC(F)(C#N)C=CC#N;FJMVKVYHBCZMEB-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138909;MM138909;C=CC=CC(F)(F)C=C;GUOKHWMCTLUMEY-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138910;MM138910;C=CC(F)(F)C=CC#N;JZOZJAFORWWRQF-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138911;MM138911;C=CC=CC(F)(F)C#N;CGWSDDLMNGUZFQ-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138912;MM138912;N#CC(F)(F)C=CC=O;GAKSAYOPRDCGST-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138913;MM138913;N#CC=CC(F)(F)C=O;XHCDCRNEDXCSML-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138914;MM138914;N#CC=CC(F)(F)C#N;ZJBLZNXXQWPPFL-UHFFFAOYSA-N;128.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138915;MM138915;C=CC(C)(C)C=NN=C;VOFGQFQAHFHLGG-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138916;MM138916;C=NN=CC(C)(C)C=O;FRPWDULCJSKSMJ-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138917;MM138917;C=NN=CC(C)(C)C#N;CTQUCBOXCRCIOF-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138918;MM138918;C=CC(C)(O)C=NN=C;BYLVGMDEUDUPFQ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138919;MM138919;C=CC(C)(F)C=NN=C;RWSVBIYYFMLDSS-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138920;MM138920;C=NN=CC(C)(F)C#N;LCJCBKJIKHEKIM-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138921;MM138921;C=CC(F)(F)C=NN=C;GLSOWBWTCCGHTF-UHFFFAOYSA-N;132.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138922;MM138922;C=NN=CC(F)(F)C=O;HDYAVRJERDOMBE-UHFFFAOYSA-N;134.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138923;MM138923;C=NN=CC(F)(F)C#N;MJJLEKMHQJBZRZ-UHFFFAOYSA-N;131.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138924;MM138924;C#CC=CC(C)(C)C=C;PLCHZDXBBYWMQM-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138925;MM138925;C#CC=CC(C)(C)C=O;BHSOCLCCMKTOGO-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138926;MM138926;C#CC=CC(C)(C)C#N;OJPBXPOAISCJIN-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138927;MM138927;C#CC=CC(C)(N)C=C;TUUYYOAKEZMQGZ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138928;MM138928;N=CN(C=N)C(=O)NN;YOBIIDILPRTSDF-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138929;MM138929;C#CC=CC(C)(O)C=O;MDKOHVFEMVZKLE-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138930;MM138930;C#CC=CC(C)(O)C#N;CBSSLUYBBZYUFG-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138931;MM138931;C#CC=CC(C)(F)C=C;PHNUDEHHGKLRNN-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138932;MM138932;C#CC=CC(C)(F)C#N;JHKHGDFKGMYCKX-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138933;MM138933;C#CC=CC(F)(F)C=C;FPPUYMMHTODBKN-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138934;MM138934;C#CC(C)(C)C=CCC;SYBWKRBFGYOEMO-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138935;MM138935;C#CC(C)(C)C=CCN;KOPOBOLEHBLUPF-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138936;MM138936;C#CC(C)(C)C=CCO;IYNATHMMTBGZPX-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138937;MM138937;C#CC(C)(C)C=CCF;WAVRMIFBMFCAOQ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138938;MM138938;C#CC(C)(N)C=CCC;FWWMAJOXDVVAGY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138939;MM138939;C#CC(C)(O)C=CCC;GCPSZDPPFIAPCP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138940;MM138940;C#CC(C)(F)C=CCC;KMTCFRJIMUBEDL-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138941;MM138941;C#CC(C)(F)C=CCN;KDTQMFSWLWBACD-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138942;MM138942;C#CC(C)(F)C=CCO;IQORFFDUXZHJDW-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138943;MM138943;C#CC(C)(F)C=CCF;DBUPAPDOEAAFLV-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138944;MM138944;C#CC(C)(C)C=COC;USYSCYYIMYJNNZ-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138945;MM138945;C#CC(C)(F)C=COC;GLHPVLFLHJQKQC-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138946;MM138946;C#CC(F)(F)C=COC;AGYFRZDWAPILAS-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138947;MM138947;C#CC(C)(C)C=NNC;VENCDNYWFWACKP-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138948;MM138948;C#CC(C)(F)C=NNC;FUZPWWJKGJMVFH-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138949;MM138949;C#CC(C)(C)C=NOC;JOKGKWQYRKAVKN-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138950;MM138950;C#CC(C)(F)C=NOC;KTYWPOVEEQQWQP-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138951;MM138951;C#CC(C)(C)C=CC=C;KRTBOJRDIWLCLX-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138952;MM138952;C#CC(C)(C)C=CC=O;MYFDIPRANBVJPT-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138953;MM138953;C#CC(C)(C)C=CC#N;LQXLKMBQDXMPQH-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138954;MM138954;C#CC(C)(N)C=CC=C;IMEKXLMBEUNMHY-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138955;MM138955;C#CC(C)(O)C=CC=C;FQVIUAZFNVGYMN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138956;MM138956;C#CC(C)(O)C=CC#N;DIUWWBWODQRORK-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138957;MM138957;C#CC(C)(F)C=CC=C;BQNFTOGSNKMESX-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138958;MM138958;C#CC(C)(F)C=CC=O;OQAKFYMAHFNWNO-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138959;MM138959;C#CC(C)(F)C=CC#N;YQKGYPMYVJZYEX-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138960;MM138960;C#CC(F)(F)C=CC=C;SKBVUBXFSSXXKA-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138961;MM138961;C#CC(C)(C)C=NN=C;NXUVHUALDWKHIZ-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138962;MM138962;C#CC(C)(F)C=NN=C;QRORVBREKHAIRE-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138963;MM138963;C#CC(F)(F)C=NN=C;AGFMHOTZWIUOJA-UHFFFAOYSA-N;130.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138964;MM138964;C#CC=CC(C)(C)C#C;LQYMPWNYYAOQKH-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138965;MM138965;C#CC=CC(C)(N)C#C;PBEKQWDOVSYDEH-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138966;MM138966;C#CC=CC(C)(O)C#C;UJFBYBAPADPNQY-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138967;MM138967;C#CC=CC(C)(F)C#C;SKQNICSQARZQGC-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138968;MM138968;CCC#CC(C)(C)CC;YVYHUBIXJLIYRU-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138969;MM138969;CCC(C)(C)C#CCN;CONPMLZGNAHMPV-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138970;MM138970;CCC(C)(C)C#CCO;IFSADIJMYFOGQG-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138971;MM138971;CCC(C)(C)C#CCF;NRWSHCCPAMFIKE-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138972;MM138972;CCC#CC(C)(C)CN;RDVHZFLZOPRRSS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138973;MM138973;CC(C)(C#CCF)CN;LZGINJUZWAEIND-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138974;MM138974;O=CC(O)C#CC1CN1;KYLXHFFMGRADHX-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138975;MM138975;CON=C(N)C(C)(O)C=O;OCFZUMBTVNUGIF-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138976;MM138976;CCC#CC(C)(C)CF;DLDWAPRWLIOTQY-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138977;MM138977;CC(C)(C#CCN)CF;STPQPPUGIZZPFZ-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138978;MM138978;CC(C)(C#CCO)CF;QHUQBPJJXMRYKN-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138979;MM138979;CC(C)(C#CCF)CF;KOJZVJZBHOBQCE-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138980;MM138980;CCC#CC(C)(N)CC;VGXOEEUTJKCNIX-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138981;MM138981;CCC(C)(N)C#CCF;DJNDSZHPTHYDSC-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138982;MM138982;CC(N)(C#CCN)CN;OOYZFGCRDCBNED-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138983;MM138983;CC(N)(C#CCN)CO;PYKZSUOPQLXLQR-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138984;MM138984;CC(N)(C#CCO)CO;QNJQGSYEHVTZBL-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138985;MM138985;CC(N)(C#CCF)CO;JAJJNVFIRKCLRI-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138986;MM138986;CCC#CC(C)(O)CC;RPXNDOUSGSHEJE-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138987;MM138987;CCC(C)(O)C#CCF;DFAXUPHXFTVKLR-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138988;MM138988;CC(O)(C#CCN)CN;LVMZSGUVYTYVRE-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138989;MM138989;CC(O)(C#CCO)CN;MLALRGNYMOYFOD-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138990;MM138990;CC(O)(C#CCF)CN;JHLRTIIFHBVEBL-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138991;MM138991;CCC#CC(C)(O)CO;OVAUKVRIPBEIEF-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138992;MM138992;CC(O)(C#CCN)CO;XCHPJLOQNFBPGZ-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138993;MM138993;CC(O)(C#CCO)CO;GRXHUDSPIVAABP-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138994;MM138994;CCC#CC(C)(O)CF;QAUQTUHAQDPQKQ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138995;MM138995;CC(O)(C#CCN)CF;SMSNNDAKXXARGI-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138996;MM138996;CCC#CC(C)(F)CC;WDFNYIAANIGSNC-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138997;MM138997;CCC(C)(F)C#CCN;DTWVSWHGVXBVAJ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138998;MM138998;CCC(C)(F)C#CCO;GOHCWEXCFBCTAR-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM138999;MM138999;CCC(C)(F)C#CCF;QKKJTNVSPBPUOZ-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139000;MM139000;CCC#CC(C)(F)CN;GOQHKYJBGLOHBC-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139001;MM139001;CC(F)(C#CCF)CN;RYQBELRJTBQTGU-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139002;MM139002;CCC#CC(C)(F)CO;SMPHGGRMRWYBKY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139003;MM139003;CCC#CC(C)(F)CF;RCGDAQURDKWMNL-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139004;MM139004;CC(F)(C#CCF)CF;AQIOPHWBQXGDEO-UHFFFAOYSA-N;136.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139005;MM139005;CCC#CC(F)(F)CC;KUQBWNPYUVUXLF-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139006;MM139006;CCC(F)(F)C#CCN;RPMKYVFPIUXILG-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139007;MM139007;CCC(F)(F)C#CCO;XDUBSOQLODBBEZ-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139008;MM139008;CCC(F)(F)C#CCF;BGZUZLMRJMNRED-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139009;MM139009;NCC#CC(F)(F)CN;PILFZOGCRNYLRU-UHFFFAOYSA-N;134.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139010;MM139010;CCC#CC(F)(F)CO;VFFBGMPLMFLCQI-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139011;MM139011;CCC#CC(C)(C)NC;ZYRFZKQSVYLZFG-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139012;MM139012;CNC(C)(C)C#CCN;PWJJBQUXTCFZAX-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139013;MM139013;CNC(C)(C)C#CCF;MNCLGZZDMGWLJD-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139014;MM139014;CCC#CC(C)(C)OC;ODKWQJMTZNSOOJ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139015;MM139015;COC(C)(C)C#CCF;FTXTXXBJJFOKKF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139016;MM139016;C=CC#CC(C)(C)CC;OGSLSFDIUVVKMO-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139017;MM139017;CCC(C)(C)C#CC=O;GIQKTVMPLSPBLT-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139018;MM139018;CCC(C)(C)C#CC#N;VSCDNXDOVXOWQX-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139019;MM139019;C=CC#CC(C)(C)CN;NHFWELSLPVVIHJ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139020;MM139020;C=NNC(=O)CCC(=C)C;SYOHBTXLEBQFPZ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139021;MM139021;C=CC#CC(C)(C)CF;OOGAVWBYXKTRBW-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139022;MM139022;CC(C)(C#CC=O)CF;SJFXHKMMBBWVHA-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139023;MM139023;CC(C)(C#CC#N)CF;LZBBOIMDKGPFRA-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139024;MM139024;C=CC#CC(C)(N)CC;XZAJGLJYKWDLAU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139025;MM139025;C=CC#CC(C)(N)CO;ISPRPAUEGABYPI-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139026;MM139026;C=CC#CC(C)(O)CC;IHTYFDKPPKAENH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139027;MM139027;CCC(C)(O)C#CC#N;KZMPSZRUGKCLKW-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139028;MM139028;C=CC#CC(C)(O)CN;QYSOSNYDTSHZBW-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139029;MM139029;CC(O)(C#CC=O)CO;DUIZZLWJWDSIRJ-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139030;MM139030;CC(O)(C#CC#N)CF;XHXMPJMWNVLHDI-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139031;MM139031;C=CC#CC(C)(F)CC;PFZQAOXRHFAGPP-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139032;MM139032;CCC(C)(F)C#CC=O;JLKKDCDNHDNKKL-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139033;MM139033;CCC(C)(F)C#CC#N;KWIHTTQXDRZPFD-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139034;MM139034;C=CC#CC(C)(F)CN;ISIFBFLTPVCIHI-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139035;MM139035;CC(F)(C#CC#N)CO;WLQXYWGWMKSFNK-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139036;MM139036;C=CC#CC(C)(F)CF;VKIORYXJHQHWSI-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139037;MM139037;CC(F)(C#CC#N)CF;SRYIBMXDMRVMAS-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139038;MM139038;C=CC#CC(F)(F)CC;SUAIRIULBPXQKI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139039;MM139039;CCC(F)(F)C#CC=O;HDSITGOZCLLHFJ-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139040;MM139040;CCC(F)(F)C#CC#N;PYVKWTFULFOYJC-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139041;MM139041;N#CC#CC(F)(F)CO;DOKHPMXKGGYJLK-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139042;MM139042;C=CC#CC(C)(C)NC;WAFNUZUOKGTBHU-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139043;MM139043;CNC(C)(C)C#CC=O;LJTMSRAEHIMBNW-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139044;MM139044;C=CC#CC(C)(C)OC;KNEXXWJPLHXGSC-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139045;MM139045;COC(C)(C)C#CC#N;PSANUZPXWUQUDV-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139046;MM139046;C#CC#CC(C)(C)CC;UKNFLZBSOBSCDD-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139047;MM139047;C#CC#CC(C)(C)CN;AKJXZPOXVXFIIX-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139048;MM139048;C#CC#CC(C)(C)CO;VRUQBXVKRLADGL-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139049;MM139049;C#CC#CC(C)(C)CF;NIDIEXYFAZWXGH-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139050;MM139050;C#CC#CC(C)(N)CC;IPYDEOGERZSNLH-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139051;MM139051;C#CC#CC(C)(O)CC;YVUDORGNJJVPIL-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139052;MM139052;C#CC#CC(C)(O)CF;QAILPHBEPUVOAT-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139053;MM139053;C#CC#CC(C)(F)CC;HFXSLHQSXSJNGA-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139054;MM139054;C#CC#CC(C)(F)CN;FMVICBVUXFANMB-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139055;MM139055;C#CC#CC(C)(F)CF;IODZOSBBYJDFBH-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139056;MM139056;C#CC#CC(F)(F)CC;CZMODDWCHGGISY-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139057;MM139057;C#CC#CC(C)(C)NC;RTMHSVNSTBCQPM-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139058;MM139058;C#CC#CC(C)(C)OC;QELFSIMBXTXTIF-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139059;MM139059;C=CC(C)(C)C#CCC;JSCVYAWMGJZTPT-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139060;MM139060;C=CC(C)(C)C#CCN;OZBBLGHHNZYAAE-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139061;MM139061;C=CC(C)(C)C#CCO;JFGWXWMNWHRBKN-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139062;MM139062;C=CC(C)(C)C#CCF;LTEJNHRWJUEYGY-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139063;MM139063;CCC#CC(C)(C)C=O;UJQWWRLPBWEZOR-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139064;MM139064;CCC#CC(C)(C)C#N;MYAOOGHISWZCOY-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139065;MM139065;CC(C)(C#CCF)C=O;BSDRFJAJELKUST-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139066;MM139066;CC(C)(C#N)C#CCF;SSLXIGCNGPBNBU-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139067;MM139067;C=CC(C)(N)C#CCC;OQIXBPBSMHLWIX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139068;MM139068;C=CC(C)(N)C#CCO;HXDGCOHWDACIFS-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139069;MM139069;C=CC(C)(N)C#CCF;AKONTESCVIKXMC-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139070;MM139070;C=CC(C)(O)C#CCC;KXDXLZKIDPIVGY-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139071;MM139071;C=CC(C)(O)C#CCN;NXZNXQGAUHOMCD-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139072;MM139072;C=CC(C)(O)C#CCF;RTTZNZTWGUFOBH-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139073;MM139073;CCC#CC(C)(O)C=O;LAVRYDSDBCCXFH-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139074;MM139074;CCC#CC(C)(O)C#N;HIQUDMAYYYETAO-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139075;MM139075;CC(O)(C#CCO)C=O;IDKIZDZFEUVKOJ-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139076;MM139076;CC(O)(C#N)C#CCO;GAVJJPCEYVNKQQ-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139077;MM139077;C=CC(C)(F)C#CCC;YRHHVTXCUIAMKI-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139078;MM139078;C=CC(C)(F)C#CCN;WUTNZWKOISKTGZ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139079;MM139079;C=CC(C)(F)C#CCO;JVHZCYYLEHLZIL-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139080;MM139080;C=CC(C)(F)C#CCF;PUPFPEXPXIGVMF-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139081;MM139081;CCC#CC(C)(F)C=O;ZPRWCKYURCPCLD-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139082;MM139082;CCC#CC(C)(F)C#N;LQWJTYNAYJGEKA-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139083;MM139083;CC(F)(C#CCO)C=O;PUVSJBVOPPAYIP-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139084;MM139084;CC(F)(C#N)C#CCF;YKJLOWDIRFBFEI-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139085;MM139085;C=CC(F)(F)C#CCC;ZOXCHFQTYPZXNB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139086;MM139086;C=CC(F)(F)C#CCN;KXJZOGJYSFXHTJ-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139087;MM139087;C=CC(F)(F)C#CCO;COVUJOUMPAQDAY-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139088;MM139088;C=CC(F)(F)C#CCF;WETHMUNGZPFEFP-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139089;MM139089;CCC#CC(F)(F)C=O;IHGZMVJBVNRSLF-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139090;MM139090;CCC#CC(F)(F)C#N;WRVYRYFQICWTNE-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139091;MM139091;N#CC(F)(F)C#CCO;YKWXSYXDLAKHMU-UHFFFAOYSA-N;131.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139092;MM139092;O=CC(F)(F)C#CCF;LNADPPPACIADPX-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139093;MM139093;N#CC(F)(F)C#CCF;KCOGNYRPKGCPFX-UHFFFAOYSA-N;133.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139094;MM139094;C=CC#CC(C)(C)C=C;UGKLTTSBDXLQCF-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139095;MM139095;C=CC(C)(C)C#CC=O;KAUWIUWCRPMSIK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139096;MM139096;C=CC(C)(C)C#CC#N;ANRMPEBELOMVAR-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139097;MM139097;C=CC#CC(C)(C)C=O;GYGUWIZBAJMQLM-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139098;MM139098;C=CC#CC(C)(C)C#N;JBRAMQQNCMCMEL-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139099;MM139099;CC(C)(C#N)C#CC=O;WAZQLFZCIUAHOR-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139100;MM139100;CC(C)(C#CC#N)C=O;JTDMPJXYESIUOM-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139101;MM139101;C=CC#CC(C)(N)C=C;BRXBJRZXBDKXEA-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139102;MM139102;C=CC#CC(C)(O)C=C;UDFJUFYYAHHLSP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139103;MM139103;C=CC(C)(O)C#CC#N;AXDBBZADLANOAT-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139104;MM139104;C=CC#CC(C)(F)C=C;DZIRRHUYGSSEHB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139105;MM139105;C=CC(C)(F)C#CC=O;NERODAUXSYTTJR-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139106;MM139106;C=CC(C)(F)C#CC#N;CAYYWYWJMWNWFS-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139107;MM139107;C=CC#CC(C)(F)C=O;JQTJQHRGESZAKL-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139108;MM139108;C=CC#CC(C)(F)C#N;IHQRFVLJXSNHTM-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139109;MM139109;CC(F)(C#CC=O)C=O;DBEJKBXESJNPBQ-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139110;MM139110;CC(F)(C#N)C#CC=O;QDDLHBYTRSUHQA-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139111;MM139111;CC(F)(C#CC#N)C=O;TXCLEEMZBCUKNY-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139112;MM139112;C=CC#CC(F)(F)C=C;RCQNDDCLLSPQJZ-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139113;MM139113;C=CC(F)(F)C#CC=O;WRPNEPVEGIBRPY-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139114;MM139114;C=CC(F)(F)C#CC#N;ZVPHHJBPLDLTBH-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139115;MM139115;C=CC#CC(F)(F)C=O;WGFCZRYVRMYSPG-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139116;MM139116;C=CC#CC(F)(F)C#N;FXXOBWRGPRAMFG-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139117;MM139117;O=CC#CC(F)(F)C=O;UWONMDQOICKWQE-UHFFFAOYSA-N;132.07;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139118;MM139118;N#CC(F)(F)C#CC=O;ORRSXAXXMLRKFT-UHFFFAOYSA-N;129.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139119;MM139119;N#CC#CC(F)(F)C#N;VZLYATCJOXEOHP-UHFFFAOYSA-N;126.07;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139120;MM139120;C#CC#CC(C)(C)C=C;UTTSIOKTJMHOIE-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139121;MM139121;C#CC#CC(C)(C)C=O;VIXJLZKLFKGEES-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139122;MM139122;C#CC#CC(C)(C)C#N;ILQSVNKUEGJSIP-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139123;MM139123;C#CC#CC(C)(N)C=C;YIBOTVHEIOQGQT-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139124;MM139124;C#CC#CC(C)(O)C=C;CBKXGMRYPPBATK-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139125;MM139125;C#CC#CC(C)(F)C=C;GQYWGVRMBYFIFN-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139126;MM139126;C#CC#CC(C)(F)C=O;XAJMZJUHGPEGRO-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139127;MM139127;C#CC#CC(C)(F)C#N;UATUANOXZIMSFO-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139128;MM139128;C#CC#CC(F)(F)C=C;NYYROOAHLUDQPU-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139129;MM139129;C#CC#CC(F)(F)C=O;CXFAVQURGJYQGI-UHFFFAOYSA-N;128.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139130;MM139130;C#CC#CC(F)(F)C#N;RZOBFLLLUVYLSW-UHFFFAOYSA-N;125.08;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139131;MM139131;C#CC(C)(C)C#CCC;PYXODHMDGQCRAW-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139132;MM139132;C#CC(C)(C)C#CCN;BTNGQTKQMZEEPH-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139133;MM139133;C#CC(C)(C)C#CCO;VXBYATSZIGSQFW-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139134;MM139134;C#CC(C)(C)C#CCF;CXJMDDCETAHFOM-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139135;MM139135;C#CC(C)(O)C#CCC;PZEXZFJUNIXEKU-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139136;MM139136;C#CC(C)(O)C#CCN;VQIGOWJXTLKZJQ-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139137;MM139137;C#CC(C)(F)C#CCC;FTYMSAPWIVKGRJ-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139138;MM139138;C#CC(C)(F)C#CCN;PJDKTYCTQRMDHF-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139139;MM139139;C#CC(C)(F)C#CCO;PIOJJFILPMHSDT-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139140;MM139140;C#CC(C)(F)C#CCF;SQEMAYAXLJVVAS-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139141;MM139141;C#CC(F)(F)C#CCC;NHZMXNLHIACLFQ-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139142;MM139142;C#CC(F)(F)C#CCN;PPWAJYUNSXCBSP-UHFFFAOYSA-N;129.11;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139143;MM139143;C#CC(F)(F)C#CCO;BOWQOYKYGPFNOS-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139144;MM139144;C#CC(F)(F)C#CCF;ZKJGPKQQPRSDQT-UHFFFAOYSA-N;132.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139145;MM139145;C#CC(C)(C)C#CC=C;SGDGUVYITCYBIW-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139146;MM139146;C#CC(C)(C)C#CC=O;YEFNTCHDSGXIJM-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139147;MM139147;C#CC(C)(C)C#CC#N;WILLKTQCKUNWFL-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139148;MM139148;C#CC(C)(O)C#CC#N;XFXDFRLBKZGXTI-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139149;MM139149;C#CC(C)(F)C#CC=C;UKLXCVIKJIQPGM-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139150;MM139150;C#CC(C)(F)C#CC=O;RINSYRIVQORNMP-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139151;MM139151;C#CC(C)(F)C#CC#N;ROETXJHQQSGMJM-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139152;MM139152;C#CC(F)(F)C#CC=C;BURWRWFBSNEGHP-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139153;MM139153;C#CC(F)(F)C#CC=O;KMBFUGTUJCFBEK-UHFFFAOYSA-N;128.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139154;MM139154;C#CC(F)(F)C#CC#N;KWHASOCPZJSBCN-UHFFFAOYSA-N;125.08;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139155;MM139155;C#CC#CC(C)(C)C#C;UECODISNRMXAJX-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139156;MM139156;C#CC#CC(C)(F)C#C;KTCXVAWBCFPJJW-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139157;MM139157;C#CC#CC(F)(F)C#C;UICMJGPIJDFVNL-UHFFFAOYSA-N;124.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139158;MM139158;CCCC(C)(CC)CC;CYWROHZCELEGSE-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139159;MM139159;CCC(C)(CC)CCN;UILWQTLCRYJNPZ-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139160;MM139160;NNC(=O)NCCC(F)F;MUTFFWUTPGDVMY-UHFFFAOYSA-N;153.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139161;MM139161;CCC(C)(CC)CCF;MTOQQIOMQHTGFV-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139162;MM139162;CCCC(C)(CC)CN;IEOSCFPNVBISJA-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139163;MM139163;CCC(C)(CN)CCN;FIWIGQRMNGFOLF-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139164;MM139164;CCC(C)(CN)CCO;VLDZLYRLDPGSEJ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139165;MM139165;CCC(C)(CN)CCF;PAGMYENFGCRCRO-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139166;MM139166;CCC(C)(CO)CCN;SUZAXNLIACCNLY-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139167;MM139167;CCC(C)(CO)CCO;RAGADMCTGXFOFR-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139168;MM139168;CCC(C)(CO)CCF;YAJLBONFRPSZSK-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139169;MM139169;CCC(C)(CF)CCN;FUNWITKFSRDPPK-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139170;MM139170;CCC(C)(CF)CCF;VUKXVVSQQZUFKE-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139171;MM139171;CC(CN)(CN)CCN;APELZZAUYKIHAF-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139172;MM139172;CC(CN)(CN)CCO;WLLXBGRCNJQSLH-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139173;MM139173;CC(CN)(CO)CCN;GCIAQLJTZRJMGA-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139174;MM139174;CC(CN)(CO)CCO;VMDDNCSYEDRLQV-UHFFFAOYSA-N;133.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139175;MM139175;CC(CO)(CO)CCN;FFXLYIZZGWWVMN-UHFFFAOYSA-N;133.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139176;MM139176;CCCC(C)(CF)CF;ZYMMAEAMCQEUJZ-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139177;MM139177;CCCC(N)(CC)CC;IZEJQGRHGSWGDZ-UHFFFAOYSA-N;129.25;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139178;MM139178;CCC(N)(CC)CCO;AIAKZXQNHAOOEM-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139179;MM139179;CCC(N)(CC)CCF;IPVCSHGHTARMHC-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139180;MM139180;CCC(N)(CN)CCN;KUUNPDPCOPRFDX-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139181;MM139181;CCC(N)(CO)CCO;WOXOHSVDGVFFQS-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139182;MM139182;CCCC(N)(CC)CF;PZTYYQOMICMMCU-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139183;MM139183;NCCC(N)(CO)CO;RBINDAHBJXBOOB-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139184;MM139184;NC(CO)(CO)CCO;LFIBNALISOGBFM-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139185;MM139185;C=CC(C)CC(=O)NN=C;RHVLMRBMTUEQGK-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139186;MM139186;CCC(O)(CC)CCN;PKKWLMYBLBBXLB-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139187;MM139187;CCC(O)(CC)CCO;LHHAIANRJLAQAE-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139188;MM139188;CCCC(O)(CC)CN;OLVLAVSEHWDIFS-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139189;MM139189;CCC(O)(CN)CCO;LASZMKOUMUFLIP-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139190;MM139190;NCC(O)(CO)CCO;LEGAEPXVEOZWAV-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139191;MM139191;NCCC(O)(CO)CO;GUAGQYKXTJFTJG-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139192;MM139192;OCCC(O)(CO)CO;WCIUPRYBQKMARP-UHFFFAOYSA-N;136.15;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139193;MM139193;OCC(O)(CF)CCF;PBQDNGHVVPXSTE-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139194;MM139194;CCCC(F)(CC)CC;HGPYYTCHRWRRDQ-UHFFFAOYSA-N;132.22;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139195;MM139195;CCC(F)(CC)CCN;AASORHGHHIOXJN-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139196;MM139196;CCC(F)(CC)CCO;OKPVYOGMPPSIFN-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139197;MM139197;CCC(F)(CN)CCN;WOOLADNLEIQCPY-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139198;MM139198;CCC(F)(CN)CCO;GWPHQGDPATVASM-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139199;MM139199;CCC(F)(CN)CCF;VOPOQQNOWAQYNV-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139200;MM139200;CCC(F)(CF)CCF;OHJWPWGSXVWSSG-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139201;MM139201;CCCC(F)(CN)CN;XMXXDHDIWFPCBP-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139202;MM139202;NCCC(F)(CN)CN;RDMHEFYNPZGKQI-UHFFFAOYSA-N;135.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139203;MM139203;NCC(F)(CN)CCF;NRRGNLSOEMEIRW-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139204;MM139204;CCCC(F)(CN)CF;NLFLLLHCDVWRBA-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139205;MM139205;NCCC(F)(CO)CO;XEAKVLSFGGWAQL-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139206;MM139206;OCC(F)(CO)CCF;FVOVOOQEBUQVLT-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139207;MM139207;OCCC(F)(CF)CF;MNEZDVZHQLKENL-UHFFFAOYSA-N;142.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139208;MM139208;CCC(C)(CC)CNC;BRJARCVOIPLNKP-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139209;MM139209;CNCC(C)(CN)CN;XISMIIFGAAPSRN-UHFFFAOYSA-N;131.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139210;MM139210;CNCC(C)(CN)CO;CXGKQQYADPUQON-UHFFFAOYSA-N;132.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139211;MM139211;CNCC(C)(CO)CO;JPDWOAOVCHLDTO-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139212;MM139212;CCC(N)(CN)CNC;XHRIBLROHNAYPW-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139213;MM139213;CNCC(N)(CN)CN;ZVIBIXOTJLZBHW-UHFFFAOYSA-N;132.21;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139214;MM139214;CNCC(N)(CO)CO;BKUINFKWQJRBLJ-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139215;MM139215;CCC(O)(CN)CNC;ADGPSHFPIPLDSG-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139216;MM139216;CCC(O)(CO)CNC;IBMITSQIGXGLND-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139217;MM139217;CNCC(O)(CN)CO;UMUPLIWZBAZMBY-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139218;MM139218;CNCC(O)(CO)CO;MXEIUOTWRAYTAB-UHFFFAOYSA-N;135.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139219;MM139219;CCC(F)(CC)CNC;QGYSTULUSGSFLF-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139220;MM139220;CCC(F)(CN)CNC;RKBBMEQBYAFVTR-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139221;MM139221;CCC(F)(CF)CNC;HEHDCMPUOOGMED-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139222;MM139222;CNCC(F)(CN)CN;VZJBSFFHVZNWQV-UHFFFAOYSA-N;135.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139223;MM139223;CCC(C)(CC)COC;HKWHMERXBYVRDG-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139224;MM139224;CCC(C)(CN)COC;HQYVBKNCJCUZIY-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139225;MM139225;CCC(C)(CO)COC;KBSFOMPACCBRMF-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139226;MM139226;COCC(C)(CN)CN;BLBLDXCPRJLXLA-UHFFFAOYSA-N;132.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139227;MM139227;COCC(C)(CN)CF;NUFXQYVGBASQDP-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139228;MM139228;COCC(C)(CO)CO;PHYLYOUKLVCIAO-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139229;MM139229;CCC(N)(CC)COC;ZVYFNDNTCKMUNA-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139230;MM139230;CCC(N)(CN)COC;GLQGJMZMKMOUPR-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139231;MM139231;COCC(N)(CN)CN;XYBJYYSJZYNDSH-UHFFFAOYSA-N;133.2;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139232;MM139232;COCC(N)(CN)CO;TWKCVNVDLOUDER-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139233;MM139233;COCC(N)(CO)CO;XFSSYKRALLCQQW-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139234;MM139234;CCC(O)(CO)COC;WFKSVFTZFDDBMT-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139235;MM139235;COCC(O)(CO)CO;FGCWPQBNUDGDBH-UHFFFAOYSA-N;136.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139236;MM139236;COCC(O)(CO)CF;GFVBWLUGBQPFBJ-UHFFFAOYSA-N;138.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139237;MM139237;COCC(F)(CN)CN;GOVBHRRYZZORKR-UHFFFAOYSA-N;136.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139238;MM139238;COCC(F)(CN)CO;MPMCLJHMRUTQCV-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139239;MM139239;CCCC(C)(CC)NC;WWCFWBTYCWBUTL-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139240;MM139240;CCC(C)(CCO)NC;WERFJGUWQSWJKJ-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139241;MM139241;CCC(C)(CCF)NC;GIINWQGCJHCQGG-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139242;MM139242;CNC(C)(CN)CCN;DXOIHYWPKOIYOL-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139243;MM139243;CNC(C)(CN)CCF;SZRSUNBGIDYBPT-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139244;MM139244;CNC(C)(CO)CCO;CYUPLOQBCFCGFO-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139245;MM139245;CCCC(C)(CF)NC;STVYATMITXKFHF-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139246;MM139246;CNC(C)(CF)CCN;TZHZNLSEQMEFNE-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139247;MM139247;CNC(C)(CF)CCF;UIZWVLMYRMDOMM-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139248;MM139248;CNCC(C)(CO)NC;MWKXFCRCQAKDRX-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139249;MM139249;CCC(C)(COC)NC;KIWWOUBWZQHZET-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139250;MM139250;COC(C)(CN)CCN;DUVAXMYILIOCAI-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139251;MM139251;COC(C)(CO)CCN;KYOPDDJCQLRTCN-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139252;MM139252;COC(C)(CO)CCO;PDLLNUIFZZJPKF-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139253;MM139253;COCC(C)(CN)OC;HWOCLRVWGFCQTG-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139254;MM139254;COC(C)(CCF)OC;FHKRAPNXMQJQMX-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139255;MM139255;CCNC(C)(CC)CC;YTNWPKDTFCHUOH-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139256;MM139256;CCNC(C)(CC)CN;FISYXEVALVNPCJ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139257;MM139257;CCNC(C)(CN)CN;IKKDJUCADSVMDM-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139258;MM139258;CCNC(C)(CN)CO;XTTDSQCMWXGFMZ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139259;MM139259;CCNC(C)(CO)CF;GGZJGGKUIRDORE-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139260;MM139260;CCOC(C)(CC)CC;JLIJUQBAUMUMJK-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139261;MM139261;CCOC(C)(CN)CN;DTNJPFWFIHEUIT-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139262;MM139262;C=CCC(C)(CC)CC;ZJKDKMLLZYWMBO-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139263;MM139263;CCC(C)(CC)CC=O;RMJFIACBKLAXEY-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139264;MM139264;CCC(C)(CC)CC#N;TWKDJECBHNJCPW-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139265;MM139265;C=CCC(C)(CC)CN;VKQFMZWFCKWWGF-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139266;MM139266;CCC(C)(CO)CC#N;HMWZBMNANWELCJ-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139267;MM139267;CCC(C)(CF)CC=O;PYXNDISHTXSZOL-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139268;MM139268;C=CCC(C)(CN)CF;WRYHQFQWOUJNQP-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139269;MM139269;C=CCC(C)(CO)CO;JJXSMZLINUIUFX-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139270;MM139270;C=CCC(C)(CF)CF;GZWJRSNPBIPYAB-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139271;MM139271;CC(CF)(CF)CC=O;PBFDEKVRGUHVRC-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139272;MM139272;C=CCC(N)(CC)CC;XFRZKBYJCVXIGW-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139273;MM139273;CC(=O)NC(=NO)N(C)N;XGZVSGFJAUPOBS-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139274;MM139274;CCC(O)(CC)CC#N;MDECPNJALJVQIP-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139275;MM139275;O=CCC(O)(CO)CO;RLJYTLNHFAJLAE-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139276;MM139276;C=CCC(O)(CF)CF;UIRXPHUAFURWLY-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139277;MM139277;N#CCC(O)(CF)CF;KWVVRMHZRGKDOU-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139278;MM139278;CCC(F)(CC)CC=O;ZQFFXAIGXDEIBY-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139279;MM139279;C=CCC(F)(CF)CF;AQWOSWPGCQBHPN-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139280;MM139280;C=CCC(C)(CC)NC;JGVGXXSWFPNXJA-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139281;MM139281;CCC(C)(CC=O)NC;QXQHJILKVMHREU-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139282;MM139282;C=CCC(C)(CF)NC;KCQMFGGXJZRAIE-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139283;MM139283;C=CCC(C)(CC)OC;HGQOMXPXYAKWEG-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139284;MM139284;CCC(C)(CC#N)OC;JAYZKELSXODQOJ-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139285;MM139285;C=CCC(C)(CN)OC;ABKAPPWULKWGSS-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139286;MM139286;COC(C)(CF)CC=O;QFEKYLNHQCQTBW-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139287;MM139287;C=NOCOC(=O)NNC;VEFRDLZWPLSMFG-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139288;MM139288;CCC(C)(CN)NC=N;QPVZDLKKOYOOQC-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139289;MM139289;CCC(C)(CN)NC=O;AJKXWYXBELMMAN-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139290;MM139290;CCC(C)(CO)NC=O;VNQLITWBFVGKNK-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139291;MM139291;CCC(C)(CF)NC=N;XLNJAWGQZXOCLS-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139292;MM139292;CCC(C)(CF)NC=O;RQWXFUZYXHVEPV-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139293;MM139293;CC(CO)(CO)NC=N;GRGZWYNWOVCMLN-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139294;MM139294;CC(CO)(CO)NC=O;IOJDOGFFOQYAQB-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139295;MM139295;C=NNC(C)(CC)CC;JZPXQWPIXQJWQO-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139296;MM139296;C=NNC(C)(CC)CF;LFKNWBKNDXPJDV-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139297;MM139297;CC(CO)(CO)OC=O;DVEVQVSYIUWVOQ-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139298;MM139298;CC(CO)(CF)OC=O;YOWNJESJQPSUSF-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139299;MM139299;C=NOC(C)(CC)CC;SHVCCZXPQNSNAF-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139300;MM139300;C=NOC(C)(CC)CN;GGKPOHLIMRSLRY-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139301;MM139301;C=NOC(C)(CN)CO;CBCHCABLPZAMDT-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139302;MM139302;C=NOC(C)(CN)CF;PNDGCELWGUCAHD-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139303;MM139303;C=NOC(C)(CF)CF;USMLEGDSXWMONZ-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139304;MM139304;C=COC(C)(CF)OC;ZQGTXLZYOJXNHI-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139305;MM139305;C=NOC(C)(CC)OC;IOTAAYHIYSXNTP-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139306;MM139306;C#CCC(C)(CC)CC;MSERIDKRZWJPRB-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139307;MM139307;C#CCC(C)(CN)CF;BTZDRHBKIYBAFX-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139308;MM139308;C#CCC(C)(CF)CF;ILZDJAMSLLVGPR-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139309;MM139309;C#CCC(N)(CC)CC;OIVUCDXUZHRXQY-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139310;MM139310;C#CCC(N)(CC)CF;RAYTWZIJHRFHGO-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139311;MM139311;C#CCC(N)(CN)CO;JVWBZNSHQQYSPI-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139312;MM139312;C#CCC(N)(CO)CO;JBVAEIMLLYRRON-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139313;MM139313;C=CCCCC(=O)NN=C;KNUXRAVXDPJPPE-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139314;MM139314;C#CCC(O)(CO)CO;NADVWTDVFAYIAO-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139315;MM139315;C#CCC(F)(CN)CO;CRHIGXZUUCVQOP-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139316;MM139316;C#CCC(C)(CC)NC;DBAPTJPORBUULZ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139317;MM139317;C#CCC(C)(CF)NC;STJXUMXSPPOVPW-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139318;MM139318;C#CCC(C)(CO)OC;SAKPNGWEYHSXIY-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139319;MM139319;C#CCC(C)(OC)OC;PBQILBNINMHOFY-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139320;MM139320;C=CC(C)(CC)CCC;SIENWKJAZIXMOL-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139321;MM139321;CC=NOCC(=O)CC#N;UFROQUZKJXYKOA-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139322;MM139322;C=CC(C)(CC)CCF;WZOVLBJBLDFADJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139323;MM139323;CCCC(C)(C#N)CC;GHFFVPHYASZOTF-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139324;MM139324;CCC(C)(C=O)CCO;AQPPSGRBXOVMHK-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139325;MM139325;CCC(C)(C#N)CCO;NAMMFFVITYYOAT-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139326;MM139326;CCC(C)(C=O)CCF;QADYQZUGBRPVPW-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139327;MM139327;C=CC(C)(CN)CCC;PJGQRGGMLOSOIH-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139328;MM139328;C=CC(C)(CO)CCN;RGSLOIIMBNAUMS-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139329;MM139329;C=CC(C)(CO)CCF;XTMOVHXRLLUNKZ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139330;MM139330;CC(C#N)(CO)CCO;IOEAHNCPILIKLF-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139331;MM139331;CC(C=O)(CO)CCF;SWBRZVQKJCXKFF-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139332;MM139332;C=CC(C)(CF)CCN;YQXRMOBFMACIDC-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139333;MM139333;C=CC(C)(CF)CCO;DCPYDRGUSJOONY-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139334;MM139334;C=CC(C)(CF)CCF;GRYNXNCYMNWLNM-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139335;MM139335;CCCC(C)(C=O)CF;CDELXPKCLDNZMV-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139336;MM139336;CC(C=O)(CF)CCO;NPGSERPEBKZBNK-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139337;MM139337;CC(C=O)(CF)CCF;QELSNKVGYUUMDB-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139338;MM139338;C=CC(N)(CN)CCC;RIXWKYKHUJWTEA-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139339;MM139339;C=CC(N)(CO)CCN;IBSZYVYTNVPAFL-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139340;MM139340;C=CC(N)(CO)CCF;BFHJEHMDOUNWEB-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139341;MM139341;C=NNC(=O)CCC=CC;XXUUDTXRNRZNPJ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139342;MM139342;C=CC(O)(CC)CCF;YDWFJHACHOKWTA-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139343;MM139343;CCCC(O)(C#N)CC;ZGEKCYSQOSFINC-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139344;MM139344;CCC(O)(C#N)CCO;HQXKQEHRVSCLTQ-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139345;MM139345;C=CC(O)(CN)CCO;YRMOVIMEPPXJCD-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139346;MM139346;C=CC(O)(CN)CCF;MRLAYNUMXPNHHP-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139347;MM139347;CCCC(O)(C=O)CO;DOOGBQJVXCDTFG-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139348;MM139348;O=CC(O)(CO)CCO;LJHDDMZHCMRVDG-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139349;MM139349;N#CC(O)(CO)CCO;LQHWCGGDKCPTAU-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139350;MM139350;N#CC(O)(CF)CCO;VXXIMMGGCJIGTR-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139351;MM139351;N#CC(O)(CF)CCF;MUNFJNGKLFSBQM-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139352;MM139352;CCC(F)(C=O)CCF;FZJURQBJUMVOBV-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139353;MM139353;CCC(F)(C#N)CCF;MLPLXSAGMZBYRB-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139354;MM139354;C=CC(F)(CN)CCC;LEOJJBPICWMYLT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139355;MM139355;N#CC(F)(CO)CCO;DMQGZQURENQKPW-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139356;MM139356;N#CC(F)(CO)CCF;OMZKFZQEXAOWJM-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139357;MM139357;C=CC(C)(CC)CNC;OVZCMFGYVVZHFF-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139358;MM139358;C=CC(C)(CO)CNC;QOOSFIUVVUTIPI-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139359;MM139359;CNCC(C)(C=O)CO;DUOKEDPRNWLTPV-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139360;MM139360;C=CC(C)(CF)CNC;TZSVWLULXHVLFU-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139361;MM139361;CNCC(C)(C=O)CF;ZUUZITVRNVORAK-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139362;MM139362;C=CC(N)(CC)CNC;OPZWHEFCUHBACL-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139363;MM139363;CCC(O)(C=O)CNC;PLDKCTVANDVZMN-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139364;MM139364;C=CC(O)(CO)CNC;BRYJRGQBEYFOJQ-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139365;MM139365;C=CC(O)(CF)CNC;ODYRTLZVBIKVPZ-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139366;MM139366;C=CC(F)(CC)CNC;LVPGWIKFTMXGNY-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139367;MM139367;C=NNC(=O)C(C)=COC;BKHLCRYBBOVFBR-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139368;MM139368;CCC(C)(C#N)COC;OVXPUVXWPJNARB-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139369;MM139369;COCC(C)(C=O)CO;IGLBINVHKGTFGH-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139370;MM139370;C=CC(O)(CC)COC;GDELZRLKTOPYST-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139371;MM139371;CCC(O)(C=O)COC;BNIUWXGEJXCEQI-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139372;MM139372;C=CC(O)(CO)COC;LZXCJNPIKUAZIO-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139373;MM139373;COCC(O)(C=O)CO;GGYPZDSXGAFSQY-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139374;MM139374;COCC(F)(C=O)CO;HRXDKYQUPFMNSN-UHFFFAOYSA-N;136.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139375;MM139375;C=CC(C)(CCC)NC;HSMCFDWZXUXCLQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139376;MM139376;C=CC(C)(CCN)NC;IELRATUQWWHMCL-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139377;MM139377;C=CC(C)(CCF)NC;RWYJIZBJBSGJBO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139378;MM139378;CCCC(C)(C=O)NC;AUXGYKZQZYBINP-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139379;MM139379;NN=CNOC(=O)C(N)=O;COZSEOLUVRXWAJ-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139380;MM139380;CNCC(C)(C=O)NC;OWPPWVNNMFLJHG-UHFFFAOYSA-N;130.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139381;MM139381;C=CC(C)(CC)NCC;NFLUBBOGFHPRKD-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139382;MM139382;CCNC(C)(C=O)CC;KFANPAGQXZCYJY-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139383;MM139383;CCNC(C)(C#N)CC;PNPYVKCOPRXZQF-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139384;MM139384;C=CC(C)(CC)OCC;QZPOFFAFJDECDD-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139385;MM139385;CCOC(C)(C=O)OC;WSSHGUOTYVCKAQ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139386;MM139386;C=CCC(C)(C=C)CC;LLXXRCCNSILBRU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139387;MM139387;C=CC(C)(CC)CC=O;PUUITXJTTSISQE-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139388;MM139388;C=CC(C)(CC)CC#N;IMWXMNHYPZBAEW-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139389;MM139389;C=CCC(C)(C#N)CC;CJTJMVZPJFAEBS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139390;MM139390;CCC(C)(C=O)CC#N;HJJZVDFWSPQSMS-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139391;MM139391;CCC(C)(C#N)CC=O;XGEUTMLZVGWUBD-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139392;MM139392;CCC(C)(C#N)CC#N;DJZGLUQLFIHGPM-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139393;MM139393;C=CCC(C)(C=C)CN;RZLGMWXIGNDKAA-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139394;MM139394;C=CC(C)(CO)CC=O;PEUDCLMDARGVAM-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139395;MM139395;CC(C=O)(CO)CC#N;KLWNBWCKWUYPQG-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139396;MM139396;CC(C#N)(CO)CC=O;CGHZWVFPEJZENM-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139397;MM139397;C=CCC(C)(C=C)CF;UNTGFUAXOURHLP-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139398;MM139398;C=CC(C)(CF)CC=O;JKMASABNRYUMEQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139399;MM139399;C=CCC(C)(C=O)CF;BDCXSONRUUPDKM-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139400;MM139400;C=CCC(N)(C=C)CF;KZIKERMIYRNNHZ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139401;MM139401;C=NNC(=N)C(O)C(C)=O;RGRKLTOQEIDPHZ-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139402;MM139402;C=CC(O)(CC)CC=O;QPJBNJCDXCWANG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139403;MM139403;O=CCC(O)(C=O)CO;KPIRBDFOWFFOHW-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139404;MM139404;N#CC(O)(CO)CC=O;YBKUVSFSSGVMKE-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139405;MM139405;O=CCC(O)(C=O)CF;HCCJSHRIYWWSNH-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139406;MM139406;C=CCC(F)(C=O)CC;GZCGLRXQBYLGOE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139407;MM139407;C=CCC(F)(C#N)CC;PMRFGWQXPUEBOC-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139408;MM139408;CCC(F)(C=O)CC=O;XMGBSZPQAJXACN-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139409;MM139409;CCC(F)(C#N)CC=O;UUKXQQVKUQHUPV-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139410;MM139410;O=CCC(F)(C=O)CO;VAUMLDNKTLUAKH-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139411;MM139411;C=CC(F)(CF)CC=O;UEMALKKLPKREOT-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139412;MM139412;C=CCC(F)(C=O)CF;WUZLLPNJYNEBQU-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139413;MM139413;C=CCC(C)(C=C)NC;JFIMKNGZQVEUPP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139414;MM139414;C=CCC(C)(C=O)NC;ALPZGHFXDMMEFN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139415;MM139415;CC(C)N(C=NO)CC=O;SJSSMELXWXQJKG-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139416;MM139416;C=CC(C)(CC=O)OC;XKSGDOPGAPPYHO-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139417;MM139417;C=CC(C)(CN)NC=O;OANHBTWEMHNVLR-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139418;MM139418;CC(C#N)(CF)NC=N;ILKXRNMYDLJCFT-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139419;MM139419;C=CC(C)(CC)NN=C;VVQHLKSVMOFEOI-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139420;MM139420;C=NNC(=O)CC1CC1C;BLNUEEXYFQNYQC-UHFFFAOYSA-N;140.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139421;MM139421;C=COC(C)(C=C)CO;MOJZXBMQZCMJLA-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139422;MM139422;C=CC(C)(CO)OC=O;BBMPLCYSTFTNEU-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139423;MM139423;C=CC(=O)NC(=NO)NN;RIOVDHBKBBBIMG-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139424;MM139424;C=COC(C)(C=C)OC;SNTCPFWWKCQTIJ-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139425;MM139425;C=CC(C)(OC)OC=O;LHAYSUPSLMIHLQ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139426;MM139426;COC(C)(C=O)OC=O;NIAITZAIWBNLRA-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139427;MM139427;C=CC(C)(OC)ON=C;PWWRMYIPCASHCL-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139428;MM139428;C=NOC(C)(C=O)OC;NEVXAFVZZVNYKS-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139429;MM139429;C#CCC(C)(C=C)CC;XACYAQBDJIDUTN-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139430;MM139430;C#CCC(C)(C#N)CC;BJVJCWIMOQTDDW-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139431;MM139431;C#CCC(C)(C=C)CN;POSCONSMLRLORH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139432;MM139432;C=COCC(O)C(=O)NN;IBLRJSPYBNTIAQ-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139433;MM139433;C#CCC(C)(C=O)CO;HBDAFLUXRUWERO-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139434;MM139434;C#CCC(C)(C=O)CF;BOLYTCWTPPWMKB-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139435;MM139435;C#CCC(N)(C=C)CC;BFMDFUOJVYHKIT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139436;MM139436;C#CCC(N)(C=C)CF;QCAAEGWDYIDAQD-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139437;MM139437;NN=CC(=NN)C(=O)NN;PAVFQYNZPJIVLD-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139438;MM139438;C#CCC(O)(C=O)CC;IQHJFJHWPGBLAL-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139439;MM139439;C#CCC(O)(C#N)CO;SZVNBKJSOPEWDO-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139440;MM139440;C#CCC(O)(C=C)CF;UXJJTWAJBKDVKE-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139441;MM139441;C#CCC(O)(C=O)CF;NSMMDZAGJUMSCS-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139442;MM139442;C#CCC(F)(C=C)CC;WVXUEFGMIFUQBF-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139443;MM139443;C#CCC(F)(C#N)CC;KAFWBGPDCBBUSS-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139444;MM139444;C#CCC(F)(C=O)CO;ZMDAONLTIQADAD-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139445;MM139445;C#CCC(C)(C=C)NC;XWZVPNNRGDWDDN-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139446;MM139446;C#CCC(C)(C=C)OC;MKLIXMSKWTXCAR-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139447;MM139447;C#CCC(C)(C#N)OC;FZRMAYJOYMOFLA-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139448;MM139448;C#CC(C)(CC)CCC;SHFUIRSLDXANCG-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139449;MM139449;C#CC(C)(CC)CCN;FLJGYUYYJRYSDY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139450;MM139450;CNNC(=O)C1(C=O)CN1;GKJIPWYFXZQVEL-UHFFFAOYSA-N;143.15;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139451;MM139451;C#CC(C)(CC)CCF;QLAIPQVLNMYCIQ-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139452;MM139452;C#CC(C)(CN)CCC;ZZBBPFPYKBTUQA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139453;MM139453;C#CC(C)(CN)CCF;VCBVBBWGBMKGEP-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139454;MM139454;C#CC(C)(CO)CCF;YIPJBFYYSOGNCO-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139455;MM139455;C#CC(C)(CF)CCN;AYCQGXLKERQYFL-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139456;MM139456;C#CC(C)(CF)CCO;DKQDTXHPTOHZGQ-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139457;MM139457;C#CC(C)(CF)CCF;CPWSTJZLFYYZIP-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139458;MM139458;C#CC(N)(CC)CCO;ARJQRCRJGRSNTE-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139459;MM139459;C#CC(N)(CN)CCO;AEAMHUIALPNPRB-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139460;MM139460;C#CC(N)(CO)CCO;BDASQNNEXCQZJM-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139461;MM139461;C#CC(O)(CC)CCN;MXXXRMUASPLJJO-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139462;MM139462;C#CC(O)(CO)CCN;OLGGHQIJQWKNBA-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139463;MM139463;C#CC(O)(CO)CCO;SMGFBAMPVGCXHY-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139464;MM139464;C#CC(O)(CF)CCF;MECIAGMVAJPRHP-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139465;MM139465;C#CC(F)(CO)CCN;ISCZPZPMGSUJLH-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139466;MM139466;C#CC(F)(CO)CCO;KGITVYCPLFSUSY-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139467;MM139467;C#CC(C)(CC)CNC;BDZHVRZGERJXBE-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139468;MM139468;C#CC(O)(CO)CNC;BEBBOFKXINSXDU-UHFFFAOYSA-N;129.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139469;MM139469;C#CC(N)(CN)COC;RVEVTLGTDSTJQO-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139470;MM139470;C#CC(F)(CN)COC;JHADNEBZMZVRLW-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139471;MM139471;C#CC(C)(CCC)NC;RDLNZTDIBDEAEN-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139472;MM139472;C#CC(C)(CCO)NC;ZLZHGUWJEPQVQO-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139473;MM139473;C#CC(C)(CCF)NC;KCKLYHBQSMJDPU-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139474;MM139474;C#CC(C)(CCC)OC;BMEUYOOBWJHTEN-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139475;MM139475;C#CC(C)(CCF)OC;GCWDHRRSWGBGAX-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139476;MM139476;C#CC(C)(CN)NCC;GLNBUGMMTQNCGM-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139477;MM139477;C#CC(C)(CC)OCC;PHDRNXWWILOZCN-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139478;MM139478;C#CC(C)(CN)OCC;ONWPMSURMKCEKT-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139479;MM139479;C#CC(C)(OC)OCC;KJXPIDUKETZBQT-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139480;MM139480;C#CC(C)(CC)CC=C;KCAJZRWUENEZLB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139481;MM139481;C#CC(C)(CC)CC=O;XLCKEQFPBCNLJA-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139482;MM139482;C#CC(C)(CC)CC#N;VNKRULSDIVPYMS-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139483;MM139483;C#CC(C)(CF)CC=O;LYIIRFIIDUTTBG-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139484;MM139484;C#CC(N)(CC)CC=C;IUWPZVJVZVQKTE-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139485;MM139485;C#CC(N)(CN)CC=C;ORCBCXHFTTUZNH-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139486;MM139486;C#CC(O)(CC)CC=C;ZMXRKCXPPDCCCF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139487;MM139487;C#CC(O)(CN)CC=C;JXLWHZMCKRINEP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139488;MM139488;C#CC(O)(CO)CC=O;SNDRJZZSMIPQCB-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139489;MM139489;C#CC(O)(CF)CC=O;ZFYIMEHZHRICPI-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139490;MM139490;C#CC(F)(CO)CC=O;BFUKUFWXYCWVRM-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139491;MM139491;C#CC(C)(CC=C)NC;UPAKRCRYQILHHV-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139492;MM139492;C#CC(C)(CC=C)OC;WVQZXXHJAGQDDL-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139493;MM139493;C#CC(C)(CC=O)OC;ILVAYJHHEXYLBY-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139494;MM139494;C#CC(C)(CC)NC=N;GEQUOMPORLWTFJ-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139495;MM139495;C#CC(C)(CC)NC=O;IVCMMLNUXHRFOM-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139496;MM139496;C#CC(C)(CN)NC=N;FPOVHUMJTPNXEF-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139497;MM139497;C#CC(C)(CN)NC=O;PUWIUHDMZOCRFH-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139498;MM139498;C#CC(C)(CO)NC=N;VTBJYQWSBXSMDX-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139499;MM139499;C#CC(C)(CO)NC=O;GMXXPRQYESJCGL-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139500;MM139500;C#CC(C)(CC)NN=C;LRZSYMMZDZDSTK-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139501;MM139501;N=Cn1nc2ncnc-2[nH]1;BSVWNKBHBWRITM-UHFFFAOYSA-N;136.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139502;MM139502;C#CC(C)(CC)OC=C;MXIVECXSTVDAJV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139503;MM139503;C#CC(C)(CN)OC=C;NRAXKPBLKFIDEU-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139504;MM139504;C#CCC(C)(C#C)CC;LOUKQGQNVCDNGU-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139505;MM139505;C#CCC(C)(C#C)CN;NRVAHKGTSJNJOQ-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139506;MM139506;CCC1=CCC(=NO)CC1;BAPBMENNRCZNIA-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139507;MM139507;C#CCC(N)(C#C)CC;CHGWLNDTVATLMB-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139508;MM139508;C#CCC(O)(C#C)CN;LFQKENAEXAHJTM-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139509;MM139509;C#CCC(F)(C#C)CO;MVXXRMQONAMDQI-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139510;MM139510;C#CCC(C)(C#C)OC;MGTAVONSSKBRSU-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139511;MM139511;C=CC(C)(C=C)CCC;FLAOWFFWSVDFAJ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139512;MM139512;C=CC(C)(C=C)CCN;LVNFZENWLCWWNP-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139513;MM139513;C=NNC(=O)CC;HZTZFRTYUMVGOT-UHFFFAOYSA-N;100.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139514;MM139514;C=CC(C)(C=C)CCF;GPKDPSAXIBJVJL-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139515;MM139515;C=CC(C)(C#N)CCC;BATHXOHUWWJNIF-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139516;MM139516;C=CC(C)(C#N)CCO;SVWDQPLWHKEZOA-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139517;MM139517;C=CC(C)(C=O)CCF;YDDWAGVOFUDFIS-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139518;MM139518;C=CC(C)(C#N)CCF;BAUTXMMFFAJWOE-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139519;MM139519;CCCC(C)(C#N)C#N;FXDKLYBFEHSIKD-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139520;MM139520;CC(C=O)(C=O)CCF;WZVNYONDPYLAGE-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139521;MM139521;CC(C#N)(C#N)CCF;WIPUQKWVSSPSAK-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139522;MM139522;C=CC(N)(C=C)CCC;KNLFIIPDLHGZFN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139523;MM139523;C=CC(N)(C=C)CCF;DCYYDMIOHDFTDC-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139524;MM139524;CN(C)N(C)C=NO;IVQPHFKUPGWMFS-UHFFFAOYSA-N;117.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139525;MM139525;C=CC(O)(C=C)CCN;FDBZTFNSJBPEDI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139526;MM139526;C=CC(O)(C=O)CCO;JOAKRCQYTJAICB-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139527;MM139527;O=CC(O)(C=O)CCO;ZZZSTTIFZHTBEU-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139528;MM139528;N#CC(O)(C=O)CCO;YLMWVASXIOLTMR-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139529;MM139529;N#CC(O)(C#N)CCO;PZDDZTGJLPRCQO-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139530;MM139530;C=CC(F)(C=C)CCC;LZUHGMTYBCFHDZ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139531;MM139531;C=CC(C)(C=C)CNC;SVHWXZROTPFPFE-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139532;MM139532;C=CC(O)(C=O)CNC;HERYRUZEADCHQZ-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139533;MM139533;CNCC(O)(C=O)C=O;YPQQPUSEGMIISJ-UHFFFAOYSA-N;131.13;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139534;MM139534;CNCC(O)(C#N)C#N;YHJWQTSOJZNDKP-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139535;MM139535;CNCC(F)(C#N)C=O;FRPZYMPOMYFCPT-UHFFFAOYSA-N;130.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139536;MM139536;C=CC(C)(C=C)COC;UTILKQTTWZRRKX-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139537;MM139537;C=CC(C)(C#N)COC;SZZZPMSUMNTNCK-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139538;MM139538;COCC(C)(C=O)C=O;LLWFZYSXGNOWGH-UHFFFAOYSA-N;130.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139539;MM139539;C=CC(O)(C=O)COC;OINFQCHTBHOBOS-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139540;MM139540;C=CC(F)(C=C)COC;LQKHMRBNCJBXMM-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139541;MM139541;C=CC(C)(C#N)NCC;HJOLJBMOFZILRZ-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139542;MM139542;CCNC(C)(C#N)C=O;FEIFRIMDBRYJLW-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139543;MM139543;C=CC(C)(C=C)OCC;PMWWMJDZFJSVJQ-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139544;MM139544;C=CC(C)(C#N)OCC;QGLRYGBVNQCEBK-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139545;MM139545;C=CCC(C)(C=C)C=C;CHIOTUUFTQKULF-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139546;MM139546;C=CC(C)(C=C)CC=O;DTXZMHXCZPUGKU-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139547;MM139547;C=CC(C)(C=C)CC#N;ZYYVAHJMENOAJU-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139548;MM139548;C=CCC(C)(C=C)C=O;CJBBAFWHIUUXBR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139549;MM139549;C=CCC(C)(C#N)C=C;WIOZCJDKRIXQNP-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139550;MM139550;C=CC(C)(C=O)CC=O;LXMMOWJPTFWDSG-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139551;MM139551;C=CC(C)(C#N)CC#N;OBSLRWHZPXMRJK-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139552;MM139552;C=CCC(C)(C=O)C=O;WGMKPBRFDFONNI-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139553;MM139553;C=CCC(C)(C#N)C#N;GOBUMHRVHCYHSC-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139554;MM139554;CC(C=O)(C=O)CC=O;QDAGFCCUPLUJLV-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139555;MM139555;C=CCC(N)(C=C)C=C;NMHYXGVKRWCXEM-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139556;MM139556;CCc1n[nH]c(C)n1;GTLYEWOHOZSGGN-UHFFFAOYSA-N;111.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139557;MM139557;C=CC(O)(C=C)CC=O;YHXRSYCGEHETAE-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139558;MM139558;C=CCC(O)(C=C)C=O;KIOLKXZMMJIJRB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139559;MM139559;C=CCC(O)(C#N)C=C;VZAORBBEAMHHBN-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139560;MM139560;C=CCC(O)(C#N)C=O;VTYQLYQZJRFKGC-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139561;MM139561;O=CCC(O)(C=O)C=O;DGIYZPJXGLTADC-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139562;MM139562;N#CC(O)(C=O)CC=O;BPCVGUITHFJBEK-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139563;MM139563;N#CC(O)(C#N)CC=O;DMPGNVHKHMGAGB-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139564;MM139564;C=CCC(F)(C=C)C=C;HRSKZQHRDQPALH-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139565;MM139565;C=CC(F)(C=C)CC#N;YJFNCXWZYHBGST-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139566;MM139566;C=CC(F)(C#N)CC=O;DCQPIZXYMFWPHH-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139567;MM139567;O=CCC(F)(C=O)C=O;IRRXQOBVWZBQEI-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139568;MM139568;C=CC(C)(C#N)NC=O;WKRRKMGCTAISCL-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139569;MM139569;C=CCNNC=NO;PXLIEOJHWUIRKC-UHFFFAOYSA-N;115.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139570;MM139570;C=COC(C)(C=C)C=C;JWZBATHKPAFALC-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139571;MM139571;C=CC(C)(C#N)OC=O;UYZZWFOUBYXRME-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139572;MM139572;C=COC(C)(C#N)C=O;HPKGWRDVRFHFSM-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139573;MM139573;C=COC(C)(C#N)C#N;QJZPYAQKGAUKEU-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139574;MM139574;C=CC(C)(C=C)ON=C;PMSCKKDUEXSULB-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139575;MM139575;C=CC(C)(C#N)ON=C;QKIWFNSQEPBPFZ-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139576;MM139576;C#CCC(C)(C=C)C=C;PBFLLUPKTSDZIW-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139577;MM139577;C#CCC(C)(C#N)C=C;NOIJHRUDALGMEI-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139578;MM139578;C#CCC(C)(C#N)C=O;ONYKHUHYUHLSAP-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139579;MM139579;C#CCC(N)(C=C)C=C;KVNGXQWZCHQVLZ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139580;MM139580;CNNC(=O)NC=CF;HWCQDLWGYXCXMC-UHFFFAOYSA-N;133.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139581;MM139581;C#CCC(O)(C=C)C=O;FDSGMIOEMMENKV-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139582;MM139582;C#CCC(O)(C#N)C=C;PQDAVHMRVWINSH-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139583;MM139583;C#CCC(F)(C=C)C=C;IELHYEQAWIDCJL-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139584;MM139584;C#CC(C)(C=C)CCC;MPLWFTHGUHXCCU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139585;MM139585;C#CC(C)(C=C)CCN;IGQFEXCURJULNB-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139586;MM139586;O=C(CO)NNCCO;SWJCVTOXQDBLHU-UHFFFAOYSA-N;134.14;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139587;MM139587;C#CC(C)(C=C)CCF;VDNYFPMCXHFRNO-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139588;MM139588;C#CC(C)(C#N)CCC;IDYFFHRYZCDDCD-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139589;MM139589;C#CC(C)(C#N)CCO;HCCBSHXJHRBBRR-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139590;MM139590;C#CC(N)(C=C)CCC;XGMNPFONRNMEEV-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139591;MM139591;C#CC(O)(C=C)CCC;OYHVGLXXQJXYPX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139592;MM139592;C#CC(O)(C#N)CCO;MUEFEDLDSGJZCW-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139593;MM139593;C#CC(F)(C#N)CCO;AUMTZAZHCDCIQD-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139594;MM139594;C#CC(C)(C=C)CNC;QJKNSALBVZPFCC-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139595;MM139595;C#CC(N)(C=C)CNC;IMEATDHIGGNNQH-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139596;MM139596;C#CC(F)(C#N)CNC;RRFNCIVGDVYVFZ-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139597;MM139597;C#CC(C)(C=C)COC;XVKBHCUWIABKDJ-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139598;MM139598;C#CC(O)(C=O)COC;FSCTXMDSURXGQV-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139599;MM139599;C#CC(C)(C=C)NCC;KHXBXOLVWOHEOR-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139600;MM139600;C#CC(C)(C#N)NCC;MLZIJBDYSWQMNT-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139601;MM139601;C#CC(C)(C=C)OCC;HGPWIWODIHPGAQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139602;MM139602;C#CC(C)(C=O)OCC;JAOFBGUXAVQQRV-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139603;MM139603;C#CC(C)(C=C)CC=C;ALGOGQRMVVBMKJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139604;MM139604;C#CC(C)(C=C)CC#N;FVSBNQWZHZLDEF-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139605;MM139605;C#CC(C)(C#N)CC=C;AVPGBTFGEGDHAV-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139606;MM139606;C#CC(C)(C#N)CC=O;GUAJHASBIQOPGP-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139607;MM139607;C#CC(N)(C=C)CC=C;JBOGFJQWVQDYOE-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139608;MM139608;C#CC(O)(C=C)CC=C;CYMPVTJXWYSZMR-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139609;MM139609;C#CC(O)(C=C)CC=O;PGOACHLXXYAAJV-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139610;MM139610;C#CC(O)(C=C)CC#N;JSVNBDHTJFCSFP-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139611;MM139611;NNC(=O)NNCCO;GHZJEIPXRXCSJX-UHFFFAOYSA-N;134.14;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139612;MM139612;CC(=NO)N(C)CC=O;ZWXQJEYPRICVOT-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139613;MM139613;C#CC(C)(C=C)OC=C;PAFPHOPVTNMLPX-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139614;MM139614;C#CC(C)(C=O)OC=C;NEYOYOWNMCDXKO-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139615;MM139615;C#CC(C)(C#N)OC=C;NWJRRZYHQPVEBZ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139616;MM139616;C#CC(C)(C#N)OC=O;PEUKJGCUJYPNMO-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139617;MM139617;C#CCC(C)(C#C)C=C;VREDUNBYYGSAJB-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139618;MM139618;C#CCC(C)(C#C)C=O;CIOXZKXHDLOGHA-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139619;MM139619;C#CCC(C)(C#C)C#N;FQZRVLSSPRXEQM-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139620;MM139620;C#CC(C)(C#C)CCC;RRTJHPDDWPKUCZ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139621;MM139621;C#CC(C)(C#C)CCN;HRZHLDFXRKVHFX-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139622;MM139622;CC1(CNC=NO)CO1;VDJGKCIBFCIPHZ-UHFFFAOYSA-N;130.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139623;MM139623;C#CC(C)(C#C)CCF;JSWNBKXJZFGXSX-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139624;MM139624;C#CC(N)(C#C)CCN;QDLGYDTVKUAUGG-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139625;MM139625;C#CC(O)(C#C)CCN;GHZQZAJCEYVJQX-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139626;MM139626;C#CC(F)(C#C)CCO;ZIMKCASBTBAFDS-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139627;MM139627;C#CC(C)(C#C)COC;FBHFYGBKKZMCOM-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139628;MM139628;C#CC(F)(C#C)COC;BIDIMJGDYIJGBS-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139629;MM139629;C#CC(C)(C#C)OCC;BAIIFTURDYNTGA-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139630;MM139630;C#CC(C)(C#C)CC=C;KIMBOOQOIGRTGC-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139631;MM139631;C#CC(C)(C#C)CC=O;PVBWFUFDSBFUPD-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139632;MM139632;C#CC(C)(C#C)CC#N;HGCJNTLKTNVXTL-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139633;MM139633;C#CC(O)(C#C)CC#N;HGXNBFWNPYBABP-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139634;MM139634;C#CC(F)(C#C)CC#N;VGXNEYSNAZHNRN-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139635;MM139635;CCC1=CCC(=NO)N1;SDPMXGZKAIPWTL-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139636;MM139636;C#CC(C)(C#C)OC=O;MORABWIXKLKEJM-UHFFFAOYSA-N;122.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139637;MM139637;C#CC(C)(C#C)ON=C;RULGLKGDESFGFU-UHFFFAOYSA-N;121.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139638;MM139638;C#CCC(C)(C#C)C#C;GEGXDTSFPXLRLF-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139639;MM139639;C#CCC(O)(C#C)C#C;HLWGHKWZQQZXRD-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139640;MM139640;C#CCC(F)(C#C)C#C;FAMXODKWUXBVHM-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139641;MM139641;CC=CC(C)(CC)CC;DVICOFKAMMAANQ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139642;MM139642;CCC(C)(C=CF)CC;OEXQGDKKTOFIQU-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139643;MM139643;CCC(C)(C=CF)CN;HLCCBEKWCFYYAA-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139644;MM139644;CN(C=NO)C(C)(C)C=O;GFAOXYDTLUPVBH-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139645;MM139645;CC(C=CF)(CN)CO;OKFXOLVDKCLWKO-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139646;MM139646;CC=CC(C)(CN)CF;AUNBVIKUJSDKIH-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139647;MM139647;CC(C=CF)(CN)CF;HHMBTADISQIZCC-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139648;MM139648;CC(C=CF)(CF)CF;JVSGOBIIYRVGFM-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139649;MM139649;CCC(N)(C=CF)CF;AABIKPMGCIAEJR-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139650;MM139650;CC=CC(N)(CN)CF;QIBUONLGPITQBR-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139651;MM139651;CNNC(=O)COC(C)=O;RFHBRAHYVRYYIV-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139652;MM139652;CC=CC(O)(CO)CO;FQBUBQQSCDRPQS-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139653;MM139653;OCC(O)(C=CF)CF;ARVQDCDWMRDQOO-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139654;MM139654;CCC(F)(C=CF)CN;BDUQJDLJEXLZHZ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139655;MM139655;NCC(F)(C=CF)CN;KRMUCEJMSXFCJI-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139656;MM139656;NCC(F)(C=CF)CF;QXGCZWDLKNXMEY-UHFFFAOYSA-N;139.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139657;MM139657;CC=CC(F)(CO)CO;ILYMMTAEANNLQF-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139658;MM139658;OCC(F)(C=CF)CO;VSGPIQCIGMPPMJ-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139659;MM139659;CCC(C)(C=NO)CN;KFHCDWMTSJLGHU-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139660;MM139660;CC(C)CC#CC(=O)NN;RZXFKDNQUFHWGC-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139661;MM139661;CCC(C)(C=NO)CO;IVJWRFSFDSEMSV-UHFFFAOYSA-N;131.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139662;MM139662;CC(C=NO)(CN)CO;ZORPVSBXLVTLGI-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139663;MM139663;C=NNCC(O)(C=O)CO;VDEPAGZOAVEUNZ-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139664;MM139664;CC(C=NO)(CO)CO;GFHBVQTZQZPSJM-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139665;MM139665;CC(C=NN)(CF)CF;SHBJXRMFJDUODT-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139666;MM139666;NCC(N)(C=NO)CN;DPIVMZRWFLANAM-UHFFFAOYSA-N;132.17;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139667;MM139667;CNN=CC(O)(CO)CF;WWIXROLLRLJWBB-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139668;MM139668;CCC(F)(C=NN)CC;ODVGINAUDSXRIP-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139669;MM139669;CC=C(C)NC(CC)=NO;IDUISCYBFPJFKW-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139670;MM139670;CCC(C)(C=CF)NC;GHINRKRZHBRMPG-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139671;MM139671;CC=CC(C)(CN)NC;UAGLWSTYRYAWDK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139672;MM139672;CNC(C)(C=CF)CN;QNNUKBFZXWPXGP-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139673;MM139673;CCC(C)(C=NO)NC;HYQDODFHDRSRMU-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139674;MM139674;CNC(C)(C=NO)CN;UTRIHTRAKBFYGT-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139675;MM139675;CC=CC(C)(CN)OC;RVPLAHUGXDJTCT-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139676;MM139676;CC=CC(C)(CO)OC;OTPOFMYYPHEYRU-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139677;MM139677;COC(C)(C=CF)CO;SUAWCJAEDCQBHA-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139678;MM139678;C=CC(C=C(N)CC)=NO;HLSSGFQOISRUNB-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139679;MM139679;C=CC(C)(C=CC)CC;KYUFYCKHYHMVAZ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139680;MM139680;C=CC(C)(C=CF)CC;SQJJPSFLHNJTPQ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139681;MM139681;CC=CC(C)(C#N)CC;KFGVMQAKWGZHAD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139682;MM139682;CCC(C)(C=O)C=CF;AIVULUIPYIZHIB-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139683;MM139683;C=CC(C)(C=CF)CN;UEOYQFKRYPHOLO-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139684;MM139684;C=CC(C)(C=CF)CO;DISVDDISPSNCJE-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139685;MM139685;CC=CC(C)(C#N)CO;FGMYBLIYZWTONA-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139686;MM139686;CC(C#N)(C=CF)CO;DSXGUTIQCLYSDL-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139687;MM139687;CC=CC(C)(C=O)CF;OPWSUHDJJBCWQE-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139688;MM139688;C=CC(N)(C=CC)CC;KRTCBKDVLVDMRS-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139689;MM139689;C=CC(N)(C=CF)CC;VYNFVZWLXFUHQH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139690;MM139690;C=CC(N)(C=CC)CO;JNAFOBOGQWZQIR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139691;MM139691;NNC(=O)CON=CCO;QJJDXDVERTYUCK-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139692;MM139692;CC=CC(O)(C#N)CC;DFTBCSSQQJYYEY-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139693;MM139693;N#CC(O)(C=CF)CO;FOFNJLNLHXOPFW-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139694;MM139694;N#CC(F)(C=CF)CO;HVJBUUVQTFNGLG-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139695;MM139695;C=CC(C)(C=NN)CC;NFEGNXCNEBMTGE-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139696;MM139696;C=CC(C)(C=NO)CC;RYVRVPCEYALUEB-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139697;MM139697;CCC(C)(C=O)C=NO;LIEWTNZVFAPROU-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139698;MM139698;C=CC(C)(C=NO)CN;JTQPCSXJGLQYMM-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139699;MM139699;CC=CCC=CC(C)=NO;POWKTXHPEUXUDE-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139700;MM139700;C=CC(C)(C=NN)CF;AXLYLQLTQZOAFW-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139701;MM139701;CCCCC#CC(=O)NN;UQKNGKNENVOJKO-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139702;MM139702;C#CC#CC(C#N)C=NO;UWRPXDHMGLXQOF-UHFFFAOYSA-N;132.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139703;MM139703;C=COCC(=NO)C(C)O;QGFJSPPANOMOMK-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139704;MM139704;C#CC(C)(O)C(F)C=NO;ATROLGRMDBFUNQ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139705;MM139705;O=CC(O)(C=NO)CO;NDSVRIQSCUDDLI-UHFFFAOYSA-N;133.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139706;MM139706;C=CC(C)(C=CC)NC;ARYOYNRJSHBDNQ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139707;MM139707;C=CC(C)(C=CF)NC;UIYFHAPUHWQERG-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139708;MM139708;CNC(C)(C#N)C=CF;NPYZNISQDAOVCG-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139709;MM139709;C=CC(C)(C=CF)OC;YFNCSOHHLPDYDY-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139710;MM139710;COC(C)(C#N)C=CF;LXWPIDOXJGVOQJ-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139711;MM139711;Cn1nc(CF)cc1O;KGCRRJBXUMWOGA-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139712;MM139712;C#CC(C)(C=CC)CC;UMBQXJFROJRLNS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139713;MM139713;C#CC(C)(C=CF)CN;YIAGPSNQCPDWME-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139714;MM139714;C#CC(N)(C=CC)CC;WOGAYKILDXZQNX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139715;MM139715;C#CC(N)(C=CF)CC;JBDHQARNMQBEIW-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139716;MM139716;C#CC(O)(C=CF)CN;XCVLPVGYCGPJDY-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139717;MM139717;C#CC(O)(C=CF)CO;FZXXPOXKDYXFCH-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139718;MM139718;C#CC(O)(C=CF)CF;XLGFCUJJTWXOCU-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139719;MM139719;C#CC(F)(C=CF)CO;YFQXDEVGOKFDNJ-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139720;MM139720;C#CC(C)(C=NO)CC;YHLIKTAPLVPYLP-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139721;MM139721;C#CC(C)(C=NN)CF;ZUBXKXSDLWZMQA-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139722;MM139722;Cc1c(O)c(=NN)on1N;OWYVDEYGWOLVMB-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139723;MM139723;C#CC(O)(C=NN)CO;HARMEJILYLGZTL-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139724;MM139724;Cc1c(O)c(F)c(F)n1N;JVBGXGIHVNUPGJ-UHFFFAOYSA-N;148.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139725;MM139725;CC(F)=CC(=O)NN;YRIHQOXMFOECMZ-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139726;MM139726;Nn1c(CF)nn(O)c1=O;WQZWHQWAYPANAB-UHFFFAOYSA-N;148.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139727;MM139727;C#CC(C)(C=CC)NC;IZKSMBGPWZLDLP-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139728;MM139728;C#CC(C)(C=CC)OC;DEDVGWDDCFVQCL-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139729;MM139729;C#CC(C)(C=CF)OC;TZOMOIWICWKNPI-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139730;MM139730;C=CC(C)(C=C)C=CC;WMUXROIWWRDSBS-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139731;MM139731;C=CC(C)(C=C)C=CF;JJXSPMZGRWYENQ-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139732;MM139732;C=CC(C)(C=O)C=CF;YIUVTQWNRGDKOL-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139733;MM139733;C=CC(C)(C#N)C=CF;SSFZMLXJKCXFKW-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139734;MM139734;CC=CC(C)(C#N)C#N;WQGQEJGTICZOMM-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139735;MM139735;CC(C#N)(C#N)C=CF;PVHFCSFMNQRPJF-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139736;MM139736;C=CC(N)(C=C)C=CC;JMWZZBJQQJUQOU-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139737;MM139737;C=CC(N)(C=C)C=CF;AUHUEPWYROZAFG-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139738;MM139738;C=CC(O)(C=C)C=CF;JKKCVUWBBYJXNN-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139739;MM139739;C=CC(O)(C=O)C=CC;CUROUMXMABTBLH-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139740;MM139740;C=CC(O)(C#N)C=CF;SDEYYGKOZYHPOI-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139741;MM139741;C=CC(F)(C=C)C=CC;PMWAKNWCKMIWEG-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139742;MM139742;C=CC(F)(C=C)C=CF;LSDZBWZZDYJAHI-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139743;MM139743;O=CC(F)(C=O)C=CF;DAQXQCABFMPCRY-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139744;MM139744;C=CC(C)(C=C)C=NN;AYXQBFAUBBMVIR-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139745;MM139745;C=CC(C)(C=C)C=NO;RXZRXYLOKKETKZ-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139746;MM139746;Nc1[nH]n(N)c(=O)c1F;WQBJOPYUGQCABQ-UHFFFAOYSA-N;132.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139747;MM139747;NN=c1o[nH]c(F)c1N;OTPXHILWOUKSQI-UHFFFAOYSA-N;132.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139748;MM139748;Nn1c(O)c(O)c(=O)n1O;JFOPKAULZGZTEK-UHFFFAOYSA-N;147.09;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139749;MM139749;C#CC(C)(C=C)C=CC;HZYJCGWZODCVTJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139750;MM139750;C#CC(C)(C=C)C=CF;YEIVUVLOGDABCN-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139751;MM139751;C#CC(C)(C#N)C=CC;ZTVLSQZJFRBDAT-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139752;MM139752;C#CC(C)(C#N)C=CF;ISLXYDKDGQCDQV-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139753;MM139753;C#CC(O)(C=C)C=CF;FPVIFJSFRYTOEY-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139754;MM139754;C#CC(C)(C=C)C=NN;PBSUYZVCOLUKEC-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139755;MM139755;C#CC(C)(C=C)C=NO;HSTGFJIKCLPFEX-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139756;MM139756;C#Cc1c[nH]n(NC)c1=O;NNSXCVZSZMXUNF-UHFFFAOYSA-N;137.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139757;MM139757;Nn1c(O)c(F)c(=O)n1O;HGAZBBWGWJWGIZ-UHFFFAOYSA-N;149.08;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139758;MM139758;CN=c1oc(=O)n(O)n1N;NQTKSAPMHKPUHT-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139759;MM139759;C#CC(C)(C#C)C=CC;QYPUXXFFXONQKP-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139760;MM139760;C#CC(C)(C#C)C=CF;GGYZDYSVUWLJAV-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139761;MM139761;C#CC(C)(C#C)C=NN;RTZJCCSDPTYLEU-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139762;MM139762;C#CC(F)(C#C)C=NN;JRGBTMYYYSWWHG-UHFFFAOYSA-N;124.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139763;MM139763;COc1nc(=O)n(O)n1N;FBTZXZLXQYXFHL-UHFFFAOYSA-N;146.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139764;MM139764;CC#CC(C)(CC)CC;WPNNVUZJQMMPMW-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139765;MM139765;CC=CN(C)C=NO;FKNQBFHNHIULCV-UHFFFAOYSA-N;114.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139766;MM139766;CC#CC(C)(CN)CN;PGKFGKSANVMQID-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139767;MM139767;CC#CC(C)(CN)CF;CWRXSRSRICEUTQ-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139768;MM139768;CC#CC(N)(CC)CC;SSEAALCTCIMLAX-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139769;MM139769;CC#CC(N)(CC)CN;OAYQXMZHLNOSKW-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139770;MM139770;CC#CC(O)(CN)CO;HXIKPUVFIBEWTB-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139771;MM139771;CC#CC(O)(CO)CO;MYFFDADLPZIXEV-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139772;MM139772;CC#CC(C)(CC)OC;KZJVTKJXGCHIDT-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139773;MM139773;CC#CC(C)(OC)OC;HFZMCIQNJZARKK-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139774;MM139774;C=CC(C)(C#CC)CC;BTPPDIUZGZFMIE-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139775;MM139775;CC#CC(C)(C=O)CC;HATWAIRXSBLLAG-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139776;MM139776;CC#CC(C)(C#N)CC;ANVHIGRPKIAYRF-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139777;MM139777;CC#CC(C)(C#N)CF;DYTPDCVTUGODRY-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139778;MM139778;C=CC(N)(C#CC)CC;IROPMCILLYWYCI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139779;MM139779;C=CC(N)(C#CC)CN;FXYZTNSMHVZUBZ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139780;MM139780;C=CC(O)(C#CC)CN;SLGCUWNBDWBMPL-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139781;MM139781;CC#CC(O)(C=O)CO;ZJABQQQVBBDQJB-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139782;MM139782;C=CC(O)(C#CC)CF;ZSWMYUDSRBSIAH-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139783;MM139783;CC#CC(F)(C#N)CC;YZZHQVAGQLLITE-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139784;MM139784;C=CC(F)(C#CC)CO;MYGSSQBNKPCKRY-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139785;MM139785;C=CC(C)(C#CC)OC;WJTQXNHMCODUJV-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139786;MM139786;CC#CC(C)(C=O)OC;NTDXFCIQNVTXIO-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139787;MM139787;CC#CC(C)(C#N)OC;QUPQECPHZZCROH-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139788;MM139788;C#CC(C)(C#CC)CC;AAXCKVJNZGXWPV-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139789;MM139789;C#CC(C)(C#CC)CN;MCKYHFCSXYRWNW-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139790;MM139790;C#CC(C)(C#CC)CO;FEJNJIFAQCVEQV-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139791;MM139791;C#CC(C)(C#CC)CF;PHIGTXIKIXLAPX-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139792;MM139792;C#CC(C)(C#CC)OC;BASQNFLGGPTVLK-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139793;MM139793;C=CC(C)(C#CC)C=C;LYRKGIMZFNCHKF-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139794;MM139794;C=CC(C)(C#N)C#CC;VRQILWLOMGIAAE-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139795;MM139795;CC#CC(C)(C#N)C=O;IDZSRLSHMYEBDE-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139796;MM139796;C=CC(O)(C#CC)C=C;MYJJTLSLHNDHMW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139797;MM139797;C=CC(F)(C#N)C#CC;VSSIBVRXPMOESO-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139798;MM139798;CC#CC(F)(C=O)C=O;MYBUCSRZFDHQKE-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139799;MM139799;CC#CC(F)(C#N)C=O;FBNJGCGCSPOHDY-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139800;MM139800;CC#CC(F)(C#N)C#N;PUHRCGPOJSUECU-UHFFFAOYSA-N;122.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139801;MM139801;C#CC(C)(C#CC)C=C;UQWMKYVZTPGPRH-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139802;MM139802;C#CC(C)(C#CC)C=O;XJFNHVNXUKEUNB-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139803;MM139803;C#CC(C)(C#N)C#CC;ZQXHIHQZFFJNLC-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139804;MM139804;C#CC(F)(C#CC)C=O;BXPFHLQJRZGGSF-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139805;MM139805;C#CC(F)(C#N)C#CC;QSURFFNDVHHHOS-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139806;MM139806;C#CC(C)(C#C)C#CC;XVLMFOGTQKFFSY-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139807;MM139807;C#CC(O)(C#C)C#CC;GPMSZPHIJVQNSH-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139808;MM139808;C#CC(F)(C#C)C#CC;HHMAKEDHPRCWDN-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139809;MM139809;CCC(C)(CC)C(C)C;MMASVVOQIKCFJZ-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139810;MM139810;CCC(C)(CN)C(C)C;HPMIUTDBIOFNRO-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139811;MM139811;CC(C)C(C)(CN)CF;FRSFTPVPYJISKY-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139812;MM139812;CC(C)C(C)(CF)CF;LLSUFXIOSNSVBD-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139813;MM139813;CCC(C)(CC)C(C)N;LMZFBSULHRFSTF-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139814;MM139814;CCC(C)(CF)C(C)N;XRQNJVVOPHHFEN-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139815;MM139815;CC(N)C(C)(CN)CN;XTQCLXHRIDJUCW-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139816;MM139816;CC(N)C(C)(CN)CF;HEMWYIICXNZSTH-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139817;MM139817;CC(N)C(C)(CO)CO;RLJAZMFIKQKUOH-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139818;MM139818;CC(N)C(C)(CF)CF;LGXWCVRTJMLHGP-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139819;MM139819;N=C1NOC(=O)C1N;NAVHBQDORIURKW-UHFFFAOYSA-N;115.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139820;MM139820;CCC(C)(CN)C(C)O;OCZIIUMNAYYWKI-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139821;MM139821;CC(O)C(C)(CN)CN;QQJVBJZQSYIXTM-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139822;MM139822;CC(O)C(C)(CN)CF;TZODQJFQHZLWCE-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139823;MM139823;CC(O)C(C)(CF)CF;JWYKRSHCXHQBKQ-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139824;MM139824;CCC(C)(CC)C(C)F;NRWWMODSUQMGFF-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139825;MM139825;CCC(C)(CN)C(C)F;WARPWKPTSFHMGI-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139826;MM139826;CC(F)C(C)(CN)CF;JKGAIQBFFJDLQI-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139827;MM139827;CC(F)C(C)(CF)CF;ONABGLQYVYQSNL-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139828;MM139828;CC(CN)(CN)C(F)F;LQVIBTCKNLISMV-UHFFFAOYSA-N;138.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139829;MM139829;CC(CF)(CF)C(F)F;OEPRVPXDWBFWPQ-UHFFFAOYSA-N;144.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139830;MM139830;CCC(N)(CC)C(C)C;YTPRVVDCUTYZJR-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139831;MM139831;CC(C)C(N)(CN)CN;WZAAPGJAMURJQG-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139832;MM139832;CC(C)C(N)(CN)CF;JDUMAPGLBADUDY-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139833;MM139833;CCC(N)(CC)C(C)N;UOAHSJOJXLQOGB-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139834;MM139834;CCC(N)(CF)C(C)N;UABHXOHJKHDVLV-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139835;MM139835;CC(N)C(N)(CO)CO;PGANHGQVHCWBHP-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139836;MM139836;CC(O)C(N)(CO)CO;AAZZFPIAQQLZTE-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139837;MM139837;CCC(N)(CC)C(C)F;SHHBYMNXPOYQCZ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139838;MM139838;CCC(N)(CN)C(C)F;AVJTVAKUYRHESI-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139839;MM139839;CCC(N)(CN)C(F)F;SORRVSDXTDNJGE-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139840;MM139840;CCC(O)(CO)C(C)C;SWOJUZXNKUIEOE-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139841;MM139841;CC(C)C(O)(CN)CF;GASZCGNXZGGKCN-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139842;MM139842;CC(C)C(O)(CO)CF;QQFHGFDHLCPFOJ-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139843;MM139843;CC(N)C(O)(CO)CO;ZENULLGPEZFVFP-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139844;MM139844;CC(N)C(O)(CF)CF;SJFLHOUNWWMMSL-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139845;MM139845;CC(O)C(O)(CO)CO;IIRXMBLCRXWDDC-UHFFFAOYSA-N;136.15;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139846;MM139846;CC(O)C(O)(CF)CF;XKHIOUYWNYWZEL-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139847;MM139847;CC(F)C(O)(CN)CF;NPDGZKFWHOIQGA-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139848;MM139848;CC(F)C(O)(CO)CF;UPFZZGJNUXEFRD-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139849;MM139849;OCC(O)(CO)C(F)F;QGMSRLITLALVDQ-UHFFFAOYSA-N;142.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139850;MM139850;CCC(F)(CN)C(C)C;KMMKBJLKGYDBDZ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139851;MM139851;CC(C)C(F)(CN)CN;PEABUPOAPFNAKK-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139852;MM139852;CC(C)C(F)(CN)CF;NLONNRZCGSZEDV-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139853;MM139853;CC(N)C(F)(CO)CF;SQUWECDLTRHWRX-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139854;MM139854;CC(O)C(F)(CO)CF;LLAFBZKPJYOYRN-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139855;MM139855;CC(F)C(F)(CN)CN;FIMVDAKAHYHROL-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139856;MM139856;CC(F)C(F)(CN)CO;SGJDIDXWOUPCSA-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139857;MM139857;CC(F)C(F)(CN)CF;KSRXOGBWDIAZJS-UHFFFAOYSA-N;141.14;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139858;MM139858;CC(F)C(F)(CO)CO;IXITUNWYHDCLDK-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139859;MM139859;CNC(C)(CO)C(C)C;ITMMMCULQAEFJO-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139860;MM139860;CNC(C)(CF)C(C)C;RQCTVFYHRTWWQU-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139861;MM139861;CCC(C)(NC)C(C)O;QFIIHVOKGCIZHV-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139862;MM139862;CCC(C)(NC)C(C)F;JGDDOKJBJLFYAK-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139863;MM139863;CNC(C)(CN)C(C)F;VROXRZWLNJCKTL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139864;MM139864;COC(C)(CO)C(C)N;JVZFQQRDTQFNSE-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139865;MM139865;COC(C)(CO)C(C)O;SBDIQOMRTTWYNN-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139866;MM139866;COC(C)(CO)C(F)F;OXDKYRLUBLFQIP-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139867;MM139867;COC(C)(OC)C(C)F;BHYLKXTUEQUULI-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139868;MM139868;COC(C)(OC)C(F)F;AMOXORAHSJKEGP-UHFFFAOYSA-N;140.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139869;MM139869;CCC(C)(CO)N(C)C;XUXZZEYSBYRSFS-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139870;MM139870;CN(C)C(C)(CN)CN;QXUPQPLZSCQKDK-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139871;MM139871;CN(C)C(C)(CN)CF;PHVRLEHDINGXGZ-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139872;MM139872;CN(C)C(C)(CO)CO;FGHOJUJBJHVRGT-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139873;MM139873;C=CC(C)(CN)C(C)C;CCJULEBNPLSYCE-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139874;MM139874;CC(C)C(C)(C=O)CF;XYWKYOGKJRHDIY-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139875;MM139875;C=CC(C)(CC)C(C)N;NYRCDZXYRGMMBL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139876;MM139876;C=CC(C)(CF)C(C)N;RNTYBZBAXQPNLH-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139877;MM139877;C=CC(C)(CN)C(C)O;JKTBLBLFJDYXRA-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139878;MM139878;C=CC(C)(CF)C(C)O;IRJDDVWXTADAGX-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139879;MM139879;C=CC(C)(CN)C(C)F;ZRFCHBISVUBRPY-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139880;MM139880;CC(F)C(C)(C#N)CO;SERBWRLINDGJHJ-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139881;MM139881;CC(F)C(C)(C=O)CF;NOHALCXJBWGIBJ-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139882;MM139882;C=CC(C)(CN)C(F)F;IRGUMWCBXKMKKJ-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139883;MM139883;CC(C=O)(CO)C(F)F;NWSUWYZEYXEVSP-UHFFFAOYSA-N;138.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139884;MM139884;C=CC(N)(CC)C(C)C;ALTOIQFWAMTBRP-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139885;MM139885;C=CC(N)(CO)C(C)C;LVINDKOVLQAFQO-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139886;MM139886;C=CC(N)(CF)C(C)C;BTUKIMAPQNWYAG-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139887;MM139887;C=CC(N)(CN)C(C)F;DONCUADYRAIIEN-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139888;MM139888;CCC(O)(C=O)C(C)C;SNZNNSWTLGOLMO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139889;MM139889;C=CC(O)(CC)C(C)N;VETMHERZKPCPQM-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139890;MM139890;CCC(O)(C#N)C(C)O;NTZALPXBLKZBGV-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139891;MM139891;CC(O)C(O)(C=O)CO;JQKDKERJPQSZLX-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139892;MM139892;C=CC(O)(CO)C(C)F;LVBSSEOSLKCYAX-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139893;MM139893;CC(F)C(O)(C#N)CO;OZXJJZWDTRHYOW-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139894;MM139894;CC(F)C(O)(C#N)CF;VXAHAYZGEVJWIU-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139895;MM139895;O=CC(O)(CO)C(F)F;ZDOXXKOWSHMFCB-UHFFFAOYSA-N;140.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139896;MM139896;N#CC(O)(CF)C(F)F;ZIJQKBFHMWZUCO-UHFFFAOYSA-N;139.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139897;MM139897;CC(O)C(F)(C=O)CF;IFFJORLWXZYDAB-UHFFFAOYSA-N;138.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139898;MM139898;CC(F)C(F)(C#N)CO;XQBIEYGKVWXEJP-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139899;MM139899;C=CC(C)(NC)C(C)C;KCULUTJTKMXSSZ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139900;MM139900;CNC(C)(C=O)C(C)C;RFLSUHLOJRVANG-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139901;MM139901;C=CC(C)(NC)C(C)F;WQICYFUEPYTIAS-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139902;MM139902;CNC(C)(C#N)C(C)F;AYAWLPNEHZAPNF-UHFFFAOYSA-N;130.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139903;MM139903;C=CC(C)(OC)C(C)C;YHWAYCITSLISNT-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139904;MM139904;C=CC(C)(OC)C(C)N;JOIRRKASSDTVHZ-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139905;MM139905;C=CC(C)(OC)C(C)O;LUFQPIJXTVGCLF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139906;MM139906;COC(C)(C=O)C(C)O;ILQCZPDBFYNTCI-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139907;MM139907;C=CC(C)(OC)C(C)F;HCVVANFGVSAGHK-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139908;MM139908;COC(C)(C=O)C(C)F;FUJJDICOECVLJU-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139909;MM139909;COC(C)(C#N)C(C)F;VVHYHBZZWSUGFG-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139910;MM139910;C=CC(C)(OC)C(F)F;VIOWFPLHEGILKS-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139911;MM139911;COC(C)(C=O)C(F)F;QKKHXIYBMAWRFR-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139912;MM139912;COC(C)(C#N)C(F)F;NBAIDXRZSSKLEE-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139913;MM139913;C=CC(C)(CC)N(C)C;VJPAVDXKMFCENT-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139914;MM139914;C=CC(C)(CO)N(C)C;FKMPUMWHVGOIOC-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139915;MM139915;C#CC(C)(CO)C(F)F;MSYHNMUONBJMMP-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139916;MM139916;C#CC(N)(CN)C(C)C;RIUYFFSGSYUYBV-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139917;MM139917;C#CC(N)(CO)C(C)N;MGAUOHRYOPHJJG-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139918;MM139918;C#CC(N)(CN)C(F)F;XFSBZPVHSODDCH-UHFFFAOYSA-N;134.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139919;MM139919;C#CC(O)(CC)C(C)N;RWSRCQOPBTUIMX-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139920;MM139920;C#CC(O)(CO)C(C)N;ZVUOFGHWYODENY-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139921;MM139921;C#CC(O)(CF)C(C)O;OAVVGUCBBALEEE-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139922;MM139922;C#CC(O)(CN)C(C)F;HJDPVQUNOITHAD-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139923;MM139923;C#CC(O)(CO)C(C)F;SMZYIDYJXZMQON-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139924;MM139924;C#CC(O)(CN)C(F)F;TVIFGGMFTRQMEM-UHFFFAOYSA-N;135.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139925;MM139925;C#CC(F)(CN)C(C)N;YNTFAZYELHSEHB-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139926;MM139926;C#CC(C)(NC)C(C)C;MKFVWFJHCZBQPU-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139927;MM139927;C#CC(C)(OC)C(C)F;GXYIGQDSOQRONO-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139928;MM139928;C#CC(C)(OC)C(F)F;VNJPYNCQJAWFIF-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139929;MM139929;C#CC(C)(CO)N(C)C;HFGKAMUVVIWYMK-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139930;MM139930;C=CC(C)(C=O)C(C)C;SQMGITOEKSDIJZ-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139931;MM139931;CC(C)C(C)(C#N)C#N;RNHRASFSOLDCLT-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139932;MM139932;CC(O)C(C)(C#N)C=O;QZMQOLBBNHCTCH-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139933;MM139933;C=CC(C)(C=C)C(C)F;XALYIGSSYUSXKZ-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139934;MM139934;C=CC(C)(C=O)C(C)F;XDZHBWKSPQBXGX-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139935;MM139935;C=CC(C)(C=O)C(F)F;QVQUXDQPKJRVFX-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139936;MM139936;CC(C#N)(C=O)C(F)F;ISGSFAIBXRMHOG-UHFFFAOYSA-N;133.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139937;MM139937;C=CC(N)(C=C)C(C)N;HKUCVBDZPYNDDN-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139938;MM139938;C=CC(O)(C=C)C(C)O;RRJRBTVAMSGCFB-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139939;MM139939;C=CC(O)(C=O)C(C)O;WAQGLNPGQUSFNB-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139940;MM139940;CC(O)C(O)(C=O)C=O;NRYAXQAKSNEGHX-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139941;MM139941;CC(O)C(O)(C#N)C=O;OSOWRCUOCNQTGJ-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139942;MM139942;C=CC(O)(C#N)C(C)F;BIKXMLFQXAQNCD-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139943;MM139943;C=CC(O)(C#N)C(F)F;OETOXILNWNGDBU-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139944;MM139944;O=CC(F)(C=O)C(F)F;LNMQJNQMXIHQGS-UHFFFAOYSA-N;140.06;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139945;MM139945;N#CC(F)(C=O)C(F)F;QURCHCUBSFUKCD-UHFFFAOYSA-N;137.06;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139946;MM139946;N#CC(F)(C#N)C(F)F;HIFFTTFAJTUOQL-UHFFFAOYSA-N;134.06;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139947;MM139947;C=CC(C)(C=C)N(C)C;HZAFGWKRDRWDJV-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139948;MM139948;C#CC(C)(C#N)C(C)C;TWGYRWVLFHUUTC-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139949;MM139949;C#CC(C)(C#N)C(C)O;ROGFYHVABBNENA-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139950;MM139950;C#CC(C)(C#N)C(C)F;XWZWILNWOFIBCG-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139951;MM139951;C#CC(O)(C=O)C(C)O;DNPZRLGMYNVDNQ-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139952;MM139952;C#CC(O)(C#N)C(C)O;FIHYDYSLACCKQK-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139953;MM139953;C#CC(O)(C#N)C(C)F;BCNUURDKXRAMSY-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139954;MM139954;C#CC(F)(C=O)C(F)F;HMBGWOORJBHRBX-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139955;MM139955;C#CC(F)(C#N)C(F)F;RAOCJUGKRMSGSF-UHFFFAOYSA-N;133.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139956;MM139956;C#CC(C)(C#N)N(C)C;FKCWSASHJMBZCT-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139957;MM139957;C#CC(C)(C#C)C(C)C;XXTTWKZOLDIPIT-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139958;MM139958;C#CC(C)(C#C)C(C)N;PPPGWSJYQZMTHM-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139959;MM139959;N=CNC(=O)C=CCF;XNJFPJJKRIZCGQ-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139960;MM139960;C#CC(C)(C#C)C(C)F;SLNVOHZHQDQORL-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139961;MM139961;C#CC(N)(C#C)C(F)F;GNVCKFCQWDAIIO-UHFFFAOYSA-N;129.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139962;MM139962;C#CC(O)(C#C)C(C)O;JRFRFBUWLDZLKM-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139963;MM139963;C#CC(O)(C#C)C(C)F;UTHHLUCTKOJJNU-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139964;MM139964;C#CC(O)(C#C)C(F)F;VOJGFAUGYXVTQU-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139965;MM139965;C#CC(F)(C#C)C(C)O;PHZAHHPLFGCZPI-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139966;MM139966;C#CC(F)(C#C)C(F)F;MYADFYKJEPIFOU-UHFFFAOYSA-N;132.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139967;MM139967;C=C(C)C(C)(CC)CC;MVWZJCIELANUHH-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139968;MM139968;C=C(C)C(C)(CC)CN;CGHIWBATZMSGQA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139969;MM139969;CN(C=O)C(=NO)NN;VTMRLRQPCUNXTP-UHFFFAOYSA-N;132.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139970;MM139970;C=C(C)C(C)(CC)CF;ANTHKJZFDDYFQT-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139971;MM139971;C=C(C)C(C)(CN)CF;NFHULQFGMDLELW-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139972;MM139972;C=C(C)C(C)(CF)CF;CATXYDTUDNNJMO-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139973;MM139973;CC(=O)C(C)(CF)CF;FMTQEESQZPMFRD-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139974;MM139974;CCC(C)(CN)C(=N)N;LUZZASLNOMKXOJ-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139975;MM139975;CCC(C)(CF)C(=N)N;OHAYBVMKLZSVLE-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139976;MM139976;CC(CN)(CN)C(=N)N;FBCTVYBIZRUQCS-UHFFFAOYSA-N;130.2;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139977;MM139977;CC(CO)(CO)C(=N)N;RKQNEROHTPAIDN-UHFFFAOYSA-N;132.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139978;MM139978;CCC(C)(CN)C(N)=O;BNPZINBKKBJOCV-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139979;MM139979;CC(CO)(CO)C(N)=O;IXBJVGSLOIZUSO-UHFFFAOYSA-N;133.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139980;MM139980;CC(CF)(CF)C(N)=O;QRSKQDBDODNVBB-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139981;MM139981;C=C(F)C(C)(CC)CN;HGTXHWFYYKAVQJ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139982;MM139982;C=C(F)C(C)(CN)CN;USSQBSYOMPBFNP-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139983;MM139983;C=C(F)C(C)(CN)CO;NDXUZZBOCBPFJB-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139984;MM139984;C=C(F)C(C)(CN)CF;VGRMHTBGONQMKB-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139985;MM139985;C=C(C)C(N)(CC)CC;KRFZUAPCKVBESM-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139986;MM139986;C=C(C)C(N)(CC)CO;XGCUHDMWDMNVTN-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139987;MM139987;C=C(C)C(N)(CC)CF;QXKPKHVOPZRHFX-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139988;MM139988;N=C(N)C(N)(CO)CO;RIMPJVSVAXUDLW-UHFFFAOYSA-N;133.15;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139989;MM139989;C=C(F)C(N)(CC)CC;OEEDAIIPYOUOPH-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139990;MM139990;C=C(C)C(O)(CF)CF;QIYIMVGFMUEZPI-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139991;MM139991;CC(=O)C(O)(CO)CO;UBXSGWANZATOLV-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139992;MM139992;N=C(N)C(O)(CN)CO;IEVLMPWDLVMTNA-UHFFFAOYSA-N;133.15;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139993;MM139993;N=C(N)C(O)(CO)CO;BOSIWXAUDMOETL-UHFFFAOYSA-N;134.14;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139994;MM139994;NC(=O)C(O)(CO)CF;QGODGSBJKMOAEV-UHFFFAOYSA-N;137.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139995;MM139995;N=c1cnc(=O)n(O)n1O;HKGOWAUAEGYUDT-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139996;MM139996;Nn1[nH]c(O)cc1=NO;FYPWACUXOAPQMI-UHFFFAOYSA-N;130.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139997;MM139997;C=C(F)C(O)(CN)CF;QABXVOFNFNZHJV-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139998;MM139998;C=C(C)C(F)(CC)CC;BDAPNHFBGFJGFX-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM139999;MM139999;C=C(C)C(F)(CC)CN;URKKKYPAJGLULG-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140000;MM140000;C=C(C)C(F)(CN)CF;FNBROIPPPQOWIY-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140001;MM140001;C=C(C)C(F)(CF)CF;KCJCAKJMEBVKDL-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140002;MM140002;CCC(F)(CC)C(C)=O;JWAHRDYINVHTGQ-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140003;MM140003;CCC(F)(CF)C(C)=O;CLVCHCYJOPABLK-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140004;MM140004;CC(=O)C(F)(CO)CO;XANBJFPNBSRAAE-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140005;MM140005;NC(=O)C(F)(CO)CF;ZOYINLRTCAFEQM-UHFFFAOYSA-N;139.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140006;MM140006;CCC(F)(CC)C(=O)O;SPSJOVYLMIGWTM-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140007;MM140007;CCC(F)(CF)C(=O)O;GULCSGXRGUPMGB-UHFFFAOYSA-N;138.11;1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140008;MM140008;C=C(F)C(F)(CC)CN;WFEKPVYDOYFYDO-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140009;MM140009;C=C(F)C(F)(CN)CN;NQMPCJFMAAMBTN-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140010;MM140010;C=C(F)C(F)(CN)CF;ZEBJHPUIKYIPNK-UHFFFAOYSA-N;139.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140011;MM140011;C=C(C)C(C)(CF)NC;ZNTJDYFBMUDKGQ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140012;MM140012;CCC(C)(NC)C(C)=O;WUDGZOKRWONLNV-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140013;MM140013;CCC(C)(NC)C(=N)N;BLVYTABHAQWOMN-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140014;MM140014;CCC(C)(NC)C(N)=O;BWOUIIJVJPDVGZ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140015;MM140015;CNC(C)(CO)C(N)=O;WVWTWMRZHNYLQV-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140016;MM140016;CCC(C)(OC)C(=N)N;AJEQRLBLSZRQDX-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140017;MM140017;COC(C)(CF)C(=N)N;HHYZBTKJMHZYHF-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140018;MM140018;CCC(C)(OC)C(N)=O;VOVSEDUCADPQJC-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140019;MM140019;COC(C)(CF)C(N)=O;CLUNWNZKDNMJSK-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140020;MM140020;N=c1c(=O)n(O)on1N;HNPKURNHVPGXTA-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140021;MM140021;C=C(F)C(C)(CN)OC;NWYKQFMIEXOBIB-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140022;MM140022;C=CC(C)(CN)C(=C)C;JCDSSBDXRWOISD-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140023;MM140023;C=C(C)C(C)(C=O)CF;MBMCXZSGNQSACC-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140024;MM140024;C=CC(C)(CC)C(C)=O;YVYIMPBNLVMKGH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140025;MM140025;CCC(C)(C=O)C(C)=O;LCUKXIRXBZGSEZ-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140026;MM140026;C=CC(C)(CO)C(C)=O;NLWQMMPDXPXHLB-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140027;MM140027;C=CC(C)(CC)C(=N)N;IIVAQKUSERLRPL-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140028;MM140028;C=CC(C)(CN)C(=N)N;XWFRUQJZRJDOLO-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140029;MM140029;C=CC(C)(CF)C(=N)N;KKWPPPSCJAVSDV-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140030;MM140030;CC(=CN)C(=NO)NN;PHVABBPNERGICZ-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140031;MM140031;C=CC(C)(CN)C(N)=O;HBEJMWNGHZFULV-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140032;MM140032;CC(C#N)(CF)C(N)=O;NQCSYAGCIICHAM-UHFFFAOYSA-N;130.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140033;MM140033;C=CC(C)(CC)C(=O)O;GLMCSCIKQIWYCQ-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140034;MM140034;C=CC(C)(CF)C(=O)O;ZDZQBFSWYJJMNL-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140035;MM140035;C=C(F)C(C)(C=O)CC;RXVNAIUALOVLCW-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140036;MM140036;C=CC(C)(CN)C(=C)F;WIYZKTXZUILDEE-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140037;MM140037;C=C(F)C(C)(C#N)CO;FVFATVTTZSFQOE-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140038;MM140038;C=C(F)C(C)(C=O)CF;IVDJOUQHJMGWRT-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140039;MM140039;CC(=O)ONC(=O)N(C)N;RBGHRPBJIMWCOE-UHFFFAOYSA-N;147.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140040;MM140040;C=CC(O)(CO)C(=C)C;UCXIVTGYLXSWLM-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140041;MM140041;CC(=O)C(O)(C#N)CO;DKADBKVCXDGCCJ-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140042;MM140042;CC(=O)C(O)(C=O)CF;UUOMNTGLYPOFOK-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140043;MM140043;CC(=O)C(O)(C#N)CF;GTBCYQOVPPQRGC-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140044;MM140044;CCC(O)(C#N)C(=N)N;BZWBXTBCRWISKA-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140045;MM140045;C=CC(O)(CO)C(=N)N;WMIHXVQJIVCHJY-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140046;MM140046;N=C(N)C(O)(C=O)CO;JEYQEMVXFFCYCV-UHFFFAOYSA-N;132.12;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140047;MM140047;CCC(O)(C#N)C(N)=O;CQTKGJGWGCSXJW-UHFFFAOYSA-N;128.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140048;MM140048;C=CC(O)(CO)C(N)=O;WEHWISFYEYMAQU-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140049;MM140049;NC(=O)C(O)(C=O)CO;HUEXJKPZJXCGFE-UHFFFAOYSA-N;133.1;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140050;MM140050;N#CC(O)(CF)C(N)=O;WXVBSWUMFLPHSL-UHFFFAOYSA-N;132.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140051;MM140051;C=C(F)C(O)(C=O)CC;LSLFBYRUNCFZPJ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140052;MM140052;C=C(F)C(O)(C=O)CO;VVPSBULJQFVYKT-UHFFFAOYSA-N;134.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140053;MM140053;C=C(F)C(O)(C#N)CF;KNRRGFHBHFZDRO-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140054;MM140054;CCC(F)(C=O)C(C)=O;CPSANICTAHIODL-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140055;MM140055;CC(=O)C(F)(C=O)CO;SFGXOBGRVSXEAT-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140056;MM140056;CC(=O)C(F)(C#N)CO;YJAJMYWWTFMLHK-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140057;MM140057;CC=CC(O)C(=O)NNC;BEIARVRZKMIBHP-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140058;MM140058;N#CC(F)(CF)C(N)=O;HYPUWXMPIUVKSW-UHFFFAOYSA-N;134.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140059;MM140059;C=C(F)C(F)(C#N)CO;QXSBHTXJZJCGQE-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140060;MM140060;Cc1cn(CC#N)nc1N;OKGBQXHFULRQFE-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140061;MM140061;CNC(C)(C#N)C(=N)N;JJHGTJQTZUDZQL-UHFFFAOYSA-N;126.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140062;MM140062;C=C(F)C(C)(C=O)NC;DQFWQFQAHWJOPF-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140063;MM140063;C=C(F)C(C)(C#N)NC;GFBWONSPVMGUMS-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140064;MM140064;COC(C)(C=O)C(=N)N;ZQDVYXWQWFAIRV-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140065;MM140065;COC(C)(C=O)C(N)=O;OXFXDBCMDZANAC-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140066;MM140066;Cn1ncn(O)c1=O;PRNZWCCDIZMRHE-UHFFFAOYSA-N;115.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140067;MM140067;C=C(F)C(C)(C#N)OC;WEXCFMMLPFBSEE-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140068;MM140068;C#CC(C)(CF)C(C)=O;HLCGUZRKONOZGM-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140069;MM140069;C#CC(C)(CO)C(=N)N;KSJVLHREPXIJDH-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140070;MM140070;C#CC(C)(CO)C(N)=O;ZKDQYZMMUSUUIX-UHFFFAOYSA-N;127.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140071;MM140071;C#CC(C)(CF)C(=O)O;KERLKGQSVAQUDL-UHFFFAOYSA-N;130.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140072;MM140072;C#CC(N)(CN)C(=C)C;CPEKBIALAFQHFH-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140073;MM140073;C#CC(N)(CF)C(=N)N;SFNZDLZFMAKJGG-UHFFFAOYSA-N;129.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140074;MM140074;Cc1nn(CC#N)cc1N;YRVHQOKCHHBNIW-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140075;MM140075;C#CC(O)(CN)C(=C)C;WIWISMYPAZRBNT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140076;MM140076;C#CC(O)(CF)C(=C)C;DUFIBKVDWBLAFM-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140077;MM140077;C#CC(O)(CC)C(=N)N;WYVSVBUGNGNDPZ-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140078;MM140078;C#CC(O)(CO)C(=N)N;IOFQYARBKYYSEF-UHFFFAOYSA-N;128.13;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140079;MM140079;C#CC(O)(CF)C(=N)N;FNKQVQWBSPTLDV-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140080;MM140080;C#CC(O)(CC)C(N)=O;HQVPRVUQRBBWOE-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140081;MM140081;C#CC(O)(CF)C(N)=O;RBYHPLHOSCVLFU-UHFFFAOYSA-N;131.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140082;MM140082;CONC(=O)C(CF)CF;HGXCGIYMJLCUBK-UHFFFAOYSA-N;153.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140083;MM140083;C#CC(O)(CC)C(=C)F;QIRSXKGAWHSRBZ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140084;MM140084;C#CC(O)(CN)C(=C)F;SSLAQFAXUXZJQH-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140085;MM140085;C#CC(O)(CO)C(=C)F;XQVNXXMCQKURRS-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140086;MM140086;C#CC(O)(CF)C(=C)F;SDUGYDGKEXWZCB-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140087;MM140087;C#CC(F)(CC)C(N)=O;KGLRDHOSPMOLCD-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140088;MM140088;Nc1nc2o[nH]c(=O)n2n1;CVVCADPZZKNXIX-UHFFFAOYSA-N;141.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140089;MM140089;C#CC(F)(CO)C(=C)F;RLDRZPVMZQREBS-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140090;MM140090;C#CC(C)(OC)C(C)=O;DIOLNJRNSIEHIZ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140091;MM140091;C#CC(C)(OC)C(=C)F;PLCDWCAPLDALER-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140092;MM140092;C=CC(C)(C=C)C(=C)C;JUILHLJQYSLFLP-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140093;MM140093;C=C(C)C(C)(C=O)C=O;SSEPXVFBDNSTHF-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140094;MM140094;C=CC(C)(C=C)C(C)=O;FGAZKFXCLJKWMX-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140095;MM140095;C=CC(C)(C=O)C(C)=O;LNHONMBVQVJGNK-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140096;MM140096;CC(=O)C(C)(C=O)C=O;BFSPKJXXYYHFDY-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140097;MM140097;C=CC(C)(C=C)C(=N)N;MRPCGAOAQPWOPA-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140098;MM140098;CC(C=O)(C=O)C(=N)N;JXWPOOTYPKEDGP-UHFFFAOYSA-N;128.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140099;MM140099;C=CC(C)(C=C)C(N)=O;OTEMJVFHLNUYOD-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140100;MM140100;C=CC(C)(C=O)C(N)=O;JISNXFUBKXBNCX-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140101;MM140101;CC(C=O)(C=O)C(N)=O;VGGXXUSLYAAPQM-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140102;MM140102;CC(C#N)(C=O)C(N)=O;JGFBQUZADLEWFZ-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140103;MM140103;C=CC(C)(C=C)C(=O)O;NWRCBMOVIRCJMB-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140104;MM140104;C=CC(C)(C=C)C(=C)F;SPDZFRMNKUPXMK-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140105;MM140105;C=CC(C)(C=O)C(=C)F;AEVNTDLVLFZPCW-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140106;MM140106;CC(=O)C(O)(C#N)C=O;ILSOIRHOTVKMDJ-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140107;MM140107;N=C(N)C(O)(C=O)C=O;RVZAVFJRMKYMGD-UHFFFAOYSA-N;130.1;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140108;MM140108;C=CC(O)(C#N)C(N)=O;ADQAGMDAZKGRBN-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140109;MM140109;Nc1c(F)c(=O)n(O)n1O;ITSZDSLIQAWUIE-UHFFFAOYSA-N;149.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140110;MM140110;C=CC(O)(C=O)C(=C)F;HEWDCJGRAMITGB-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140111;MM140111;CC(=O)C(F)(C=O)C=O;KXHXNUVOLWLPSU-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140112;MM140112;CC(=O)C(F)(C#N)C=O;LMXNQJOQPSDGDV-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140113;MM140113;CC(=O)C(F)(C#N)C#N;UDDODXMIHHTOJP-UHFFFAOYSA-N;126.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140114;MM140114;N=C(N)C(F)(C=O)C=O;UHTLAXJMNUERIC-UHFFFAOYSA-N;132.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140115;MM140115;C=CC(F)(C=C)C(N)=O;YPRAQFKKXUFKIW-UHFFFAOYSA-N;129.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140116;MM140116;C#CC(C)(C=O)C(=C)C;UORREWQNIFLREJ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140117;MM140117;C#CC(C)(C#N)C(=C)C;KXJUWRAUNHHXNL-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140118;MM140118;C#CC(C)(C=C)C(C)=O;NXGXBRZMWALXFK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140119;MM140119;C#CC(C)(C#N)C(C)=O;GNPRSMOUHHKTBX-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140120;MM140120;C#CC(C)(C#N)C(=C)F;AMUGYOQNUCVDHU-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140121;MM140121;C#CC(O)(C=O)C(C)=O;GDBCXNGXBZDFOB-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140122;MM140122;C#CC(O)(C=C)C(N)=O;FNLBQGCNZYGRNT-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140123;MM140123;C#CC(O)(C=O)C(N)=O;WIBNSPQRWWDIAZ-UHFFFAOYSA-N;127.1;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140124;MM140124;C#CC(O)(C=O)C(=C)F;GXNGRAPJHHRZBS-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140125;MM140125;C#CC(C)(C#C)C(=C)C;URIRDFMCQHDVMC-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140126;MM140126;C#CC(C)(C#C)C(=O)O;WBGLTOWPHGJAQY-UHFFFAOYSA-N;122.12;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140127;MM140127;CCC(=NO)NC=C(C)C;JWVUNBWYWOORNJ-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140128;MM140128;C#CC(F)(C#C)C(=O)O;LXFPMJPMVTYTFF-UHFFFAOYSA-N;126.09;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140129;MM140129;CC1C(C)C(C)(C)C1C;YKOGZCCQWFRUBP-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140130;MM140130;CC1C(N)C(C)C1(C)C;CGFNHEUZHTUAOT-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140131;MM140131;CNC(=O)C(O)C(C)=NN;OMOZWPVNWADKBW-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140132;MM140132;CC1C(F)C(C)C1(C)C;UHYBWIKMIBLZRK-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140133;MM140133;CC1C(N)C(N)C1(C)C;YYLQQQNHQFQEGE-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140134;MM140134;CC1C(F)C(N)C1(C)C;DKVDBGYXIKXIFY-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140135;MM140135;CC1(C)C(N)C(O)C1N;RWFAKJPDJBXELN-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140136;MM140136;CC1C(C)C(C)(N)C1C;KYMCROHHQRXGAS-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140137;MM140137;CC1C(N)C(C)C1(C)N;DGWSTUNMBFDGEV-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140138;MM140138;CC1C(O)C(C)C1(C)N;YJEYUMOOSONOLR-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140139;MM140139;CC1C(F)C(C)C1(C)N;YBEUGKXGUFGBBH-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140140;MM140140;CC1C(C)C(C)(N)C1N;UIWOKDWILQZBAI-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140141;MM140141;CC1C(N)C(N)C1(C)N;CIWKCAITABYUBJ-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140142;MM140142;CC1C(O)C(C)C1(C)O;RWHQANJEUDJVOD-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140143;MM140143;CC1C(C)C(C)(O)C1N;LJNLIQMYBZJQOI-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140144;MM140144;CC1C(C)C(C)(F)C1C;SYFATYQBTGDFNO-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140145;MM140145;CC1N(C)C(C)C1(C)C;JOHLGSWWKJWXBY-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140146;MM140146;CC1N(C)C(C)C1(C)N;WMFKRJDRVRWCTO-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140147;MM140147;CC1C(C)C(C)(C)N1C;ZEVZLEWRPSOBPY-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140148;MM140148;CC1C(=O)C(C)C1(C)C;WYQNVMYEKVWTBJ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140149;MM140149;CC1(C)C(O)C(=O)C1F;ZZAUVNFLIXMSOX-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140150;MM140150;CC1(C)C(F)C(=O)C1F;KYAQLBIHONOQLW-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140151;MM140151;CC1C(=O)C(C)(C)C1C;PVXWXVPUCQYBGD-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140152;MM140152;CC1C(O)C(=O)C1(C)C;FRELEBKONWTYEI-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140153;MM140153;CC1C(F)C(=O)C1(C)C;HBXBLWPKORRUDC-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140154;MM140154;CC1C(O)C(=O)C1(C)O;GAVWWXKORRVXLA-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140155;MM140155;CC1N(C)C(=O)C1(C)C;NAECMLBKXLHPQB-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140156;MM140156;CC1N(N)C(=O)C1(C)C;GQIHMPFLAIPMQX-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140157;MM140157;CC1N(C)C(=O)C1(C)O;OVJBDTCNLCPHII-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140158;MM140158;CNN(C)C(=O)NOC=O;IWSNYJIRFBCKJR-UHFFFAOYSA-N;147.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140159;MM140159;CC1C(=O)C(C)(C)N1C;LAGVVXSUVWVEEV-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140160;MM140160;CC1C(CN)CC1(C)C;AVJQXJSJIDXKPD-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140161;MM140161;COC=C(CF)C(=O)NN;WXJJVYKMTOADRR-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140162;MM140162;CC1(C)CC(CN)C1N;BMJFAVMRBMSKTA-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140163;MM140163;CC1(C)CC(CO)C1N;RZHKONWFLYMEBN-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140164;MM140164;C=CCCN(C=C)C=NO;BMEIHGRQUSUSJF-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140165;MM140165;CC1(C)CC(CN)C1O;SHXKVHWFNVSVHL-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140166;MM140166;CCC1CC(C)(N)C1C;ZUAPIBMPKOWAAA-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140167;MM140167;CC1C(CO)CC1(C)N;HZHZVDJROBPGHH-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140168;MM140168;CC1C(CF)CC1(C)N;JOUMSIJCUSLQEN-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140169;MM140169;CCC1CC(C)(N)C1N;ZVKYIDRGFZJEMT-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140170;MM140170;CC1(N)CC(CO)C1N;AQLLVRBLHLAKOB-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140171;MM140171;CCC1CC(C)(N)C1O;LAULSDMEGBZNAZ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140172;MM140172;CC1C(CN)CC1(C)O;HQABPBPUHNTRPD-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140173;MM140173;CC1C(CO)CC1(C)O;HYNICDPAOMWWFC-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140174;MM140174;CCC1CC(C)(O)C1N;ZUSKUVUTOVRPCL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140175;MM140175;CC1(O)CC(CN)C1N;UGEPMHBRLCAXSG-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140176;MM140176;CCC1CC(C)(O)C1O;QYMUNAXQUTYRJS-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140177;MM140177;CCC1CC(C)(F)C1C;XWZCRKNVMAQPPI-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140178;MM140178;CC1C(CN)CC1(C)F;BDIZEAWXUNPWNR-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140179;MM140179;CC1C(CO)CC1(C)F;JWSUCZBGZSHJLB-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140180;MM140180;CNC1CC(C)(C)C1C;SWOLFXTWYNPVNJ-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140181;MM140181;CNC1CC(C)(N)C1C;HMHNPGQXIQIHNQ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140182;MM140182;CNC1CC(C)(N)C1N;KOOVDSFFDDOYRH-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140183;MM140183;CNC1CC(C)(O)C1C;DQIJRBMNYREGRN-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140184;MM140184;COC1CC(C)(C)C1N;TWDMCXKYIFHWGD-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140185;MM140185;COC1CC(C)(N)C1C;HUIUJLZDDUUIQC-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140186;MM140186;COC1CC(C)(O)C1C;LTODUMJTIKZNIP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140187;MM140187;COC1CC(C)(O)C1N;GUVRRBXYBYGHHE-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140188;MM140188;CC1C(CN)NC1(C)C;WUOFNRKTBSWRDI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140189;MM140189;CC1C(CO)NC1(C)C;ZZVSFTRTGVOKLC-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140190;MM140190;CC1(C)NC(CN)C1N;MAFNWPRUVIYBMS-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140191;MM140191;CC1(C)NC(CO)C1N;XJGOMCXYWMOZGT-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140192;MM140192;CC1C(CN)OC1(C)C;UVBXZLOGEIQDLW-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140193;MM140193;CCN1CC(C)(C)C1C;SZYIIBSNNWAUKW-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140194;MM140194;CCC1CC(C)(C)N1C;HOMSPCCXRVTJJF-UHFFFAOYSA-N;127.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140195;MM140195;CN1C(CO)CC1(C)C;GSGKVHRQAFPAJW-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140196;MM140196;CC1C(C=O)CC1(C)C;DSIDUSCEZPLNJQ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140197;MM140197;CC1C(C#N)CC1(C)C;QNFKAGUWBZNAFX-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140198;MM140198;C=CC1CC(C)(C)C1N;TZJQBKIOGPUZQD-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140199;MM140199;CC#CCNC(CC)=NO;SXTOEFPBBLJDMY-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140200;MM140200;CC1(C)CC(C#N)C1O;FGAGMOKQNITCPT-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140201;MM140201;C=CC1CC(C)(N)C1C;GIEJHVKDWRXYNN-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140202;MM140202;C=CC(C=C)=CNC=NO;CUKXCQWAXPTAHX-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140203;MM140203;CC1C(C=O)CC1(C)O;BMHYSPCPHFUVEE-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140204;MM140204;CC1C(C#N)CC1(C)O;UEDQQDXJMUTJKF-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140205;MM140205;C=CC1CC(C)(O)C1N;CIHBCPRNBSXLGV-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140206;MM140206;CC1(O)CC(C#N)C1O;HYQATSVQSIVUGS-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140207;MM140207;C=CC1CC(C)(F)C1C;DVMKCLZCVJFVDW-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140208;MM140208;CC1C(C=O)CC1(C)F;SIYDDSOIGLFUTB-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140209;MM140209;CC1C(C#N)CC1(C)F;DLHIPLFSKJTYCJ-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140210;MM140210;C=CC1NC(C)(C)C1C;JCGGCRYMSMWQQB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140211;MM140211;CC1C(C#N)NC1(C)C;AHHMROGOGJUECK-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140212;MM140212;C=CC1OC(C)(C)C1C;VYMYNFRFSDYULP-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140213;MM140213;CC1C(C=O)OC1(C)C;QWOOJVIQLKXETH-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140214;MM140214;CC1C(C#N)OC1(C)C;BBYSPCYDMXFUEQ-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140215;MM140215;C=CC1OC(C)(C)C1N;CUSDWDWYJDAILU-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140216;MM140216;CC1(C)OC(C#N)C1O;GSXNHXCDAMINKB-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140217;MM140217;CC1N(C=N)CC1(C)C;CMIWGTKTAMGZJR-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140218;MM140218;CC1N(C=O)CC1(C)C;GMKGWOZUSBEEHB-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140219;MM140219;CC1N(C=N)CC1(C)N;YCRUVZAJBFMGIM-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140220;MM140220;CC1N(C=O)CC1(C)N;JQQHSQIWHRJGKB-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140221;MM140221;CC1N(C=N)CC1(C)O;IZQRXUNRTPAVDY-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140222;MM140222;C=NN1CC(C)(C)C1C;CIPYBWFTWGJHFZ-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140223;MM140223;C=NN1CC(C)(N)C1C;PLOYWBDVDAFBOA-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140224;MM140224;CN=c1nnnc(N)n1O;RBKCSPWARXBZPM-UHFFFAOYSA-N;142.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140225;MM140225;C=NN1CC(C)(F)C1C;WQTSUZBCEPGFPO-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140226;MM140226;C#CC1CC(C)(C)C1C;FMAXMWXIGAWASH-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140227;MM140227;CCC1=CCC(=NO)N1C;XMVDNMBOVJWOOX-UHFFFAOYSA-N;140.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140228;MM140228;C#CC1CC(C)(N)C1C;JMHPYHSVHLQYCE-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140229;MM140229;C#CCC1CN1C(C)=NO;WDYQORXCRWFDOP-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140230;MM140230;C#CC1CC(C)(F)C1C;VWUSRCPIUATJOE-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140231;MM140231;C#CC1CC(C)(F)C1N;IDFHJEBKSGTSIH-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140232;MM140232;C#CC1NC(C)(C)C1C;SOBMDINJQXPMCR-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140233;MM140233;C#CC1OC(C)(C)C1C;LSJLMLLQVBNYDF-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140234;MM140234;C#CC1CC(C)(C)N1C;MYRRNJRUFFTALN-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140235;MM140235;CCC1CC(C)(C)C1=O;TYIQRMCCSBDZMW-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140236;MM140236;CCC1CC(C)(O)C1=O;OGLVYSZQXWINDM-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140237;MM140237;CC1(O)CC(CO)C1=O;VVNUTXWQVUDTOT-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140238;MM140238;CC1(O)CC(CF)C1=O;ICDAGCVJVOLXDC-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140239;MM140239;CCC1CC(C)(F)C1=O;AJNIRSOMDPTAQE-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140240;MM140240;CC1(F)CC(CF)C1=O;JMKADWYUERRHNO-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140241;MM140241;N#CCOCCNNC=O;UONUPEXXDOFMEI-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140242;MM140242;CCC1CCC(=NO)NC1;ZGOXRHMQOKOEQR-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140243;MM140243;CCC1OC(C)(C)C1=O;IOBOQGFOQCELPQ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140244;MM140244;CC1(C)OC(CO)C1=O;HMVZRMSWVULMMD-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140245;MM140245;CCN1CC(C)(C)C1=O;VTXINOIXDUGQIP-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140246;MM140246;CON1CC(C)(C)C1=O;LUAOKCPXXHNGQA-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140247;MM140247;C=CC1CC(C)(C)C1=O;VKQBUKYNKOSJGW-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140248;MM140248;CC1(C)CC(C#N)C1=O;NCVZLGOFWJCMCB-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140249;MM140249;CC#CC(=NO)C(=O)C#N;CXHIRPLPCBJELN-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140250;MM140250;CC1(O)CC(C#N)C1=O;WJFNZTBCZYSGRC-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140251;MM140251;C=CC1CC(C)(F)C1=O;CMGRCSXQRYOXGL-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140252;MM140252;Cn1c(N)cc(=O)nc1O;GZLZRPNUDBIQBM-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140253;MM140253;Nc1nc(F)c[nH]1;MCLDNVCAXQMWMH-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140254;MM140254;CNNC(=O)C=C(C)F;NWLJWTRJFXSLLH-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140255;MM140255;C=CC1OC(C)(C)C1=O;TZYFKEXOOPPWLA-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140256;MM140256;CC1(C)OC(C#N)C1=O;LCWQPPKQDNKUFB-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140257;MM140257;C=CN1CC(C)(C)C1=O;XMWNEXZUKRAFSQ-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140258;MM140258;CC1(C)CN(C=N)C1=O;WDKORNLLHAMWCQ-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140259;MM140259;CC1(N)CN(C=O)C1=O;SWTQQVITUCRVKG-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140260;MM140260;C=CN1CC(C)(O)C1=O;PGXAXLDVOVEAEM-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140261;MM140261;CC1(F)CN(C=O)C1=O;GPZOWSKGEPGQHY-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140262;MM140262;C=NN1CC(C)(C)C1=O;OCYGMEPEVLOVBD-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140263;MM140263;C#CC1CC(C)(C)C1=O;LNFYGSWNFBEUIM-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140264;MM140264;C#CC1CC(C)(O)C1=O;SZVPEZOJPKVBBJ-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140265;MM140265;C#CC1CC(C)(F)C1=O;VFLWYUURVNPRFT-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140266;MM140266;CNNC(=O)N(N)C=N;HSQXWUKRRNEKKR-UHFFFAOYSA-N;131.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140267;MM140267;C#CC1OC(C)(C)C1=O;ACCQNEMYRANNPS-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140268;MM140268;CCC(C)C1CC1(C)C;IBPUTEPLTIKKIS-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140269;MM140269;CC(CN)C1CC1(C)C;PUMAKTQUMUVBEY-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140270;MM140270;C=CC(=C)C(=O)NN=C;YUUMDZQPOWWSIM-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140271;MM140271;CC(CF)C1CC1(C)C;MSKLYVYWPGGUBK-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140272;MM140272;CCC(N)C1CC1(C)C;VMNUGUKELCXBBY-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140273;MM140273;CC1(C)CC1C(N)CN;OSGNTBFNYAINCD-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140274;MM140274;CC1(C)CC1C(N)CO;PTGJVXBYQVTQDX-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140275;MM140275;CC1(C)CC1C(N)CF;RWHYQGMDDXDAQD-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140276;MM140276;C=C(C)N(C=NO)CC;KEJYLCYLLXLOPS-UHFFFAOYSA-N;128.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140277;MM140277;CC1(C)CC1C(O)CN;WOXHEQNBVNWNHE-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140278;MM140278;CC1(C)CC1C(O)CO;PWMPMTMTCWOHOO-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140279;MM140279;CC1(C)CC1C(O)CF;LONFJFYMYKIMPB-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140280;MM140280;CCC(F)C1CC1(C)C;WGDVXZOEMQLFIN-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140281;MM140281;CC1(C)CC1C(F)CN;IRXGBTACKFNRFY-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140282;MM140282;CC1(C)CC1C(F)CO;PGSMZMYBVIPSHF-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140283;MM140283;CC1(C)CC1C(F)CF;FCTCQPGXFCFRJB-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140284;MM140284;CCC(C)C1CC1(C)N;FWNVJESZUKYLBF-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140285;MM140285;CC(CN)C1CC1(C)N;QGBRMUHDBDQQAN-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140286;MM140286;CC(CO)C1CC1(C)N;FMKQOYLIOYCVGO-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140287;MM140287;CCC(N)C1CC1(C)N;WGHCVLOGOMPTHL-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140288;MM140288;CC1(N)CC1C(N)CN;CTRCCTAPEUEUBW-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140289;MM140289;CC1(N)CC1C(N)CO;PIUOWHOOGGMANI-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140290;MM140290;CCC(O)C1CC1(C)N;FRBQHXKJIJAKGW-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140291;MM140291;CC1(N)CC1C(O)CN;GWGXUIUVELECEW-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140292;MM140292;CC1(N)CC1C(O)CO;TWKVRUKMIKSXPQ-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140293;MM140293;CC1(N)CC1C(O)CF;SKKHWYZJXKULBW-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140294;MM140294;CCC(F)C1CC1(C)N;MVYKJISKGUNXCG-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140295;MM140295;CC1(N)CC1C(F)CN;SOPOBPJTSDHNOQ-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140296;MM140296;CC1(N)CC1C(F)CO;JWSCFGUOGXXYPN-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140297;MM140297;CC1=C(F)CC(=NN)N1;CVUPFQSOXJATDP-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140298;MM140298;CC(CN)C1CC1(C)O;RZYVPOHNDNIRIS-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140299;MM140299;CCC(N)C1CC1(C)O;JZIBKBVEQLXITL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140300;MM140300;CC1(O)CC1C(N)CN;IFJYSZXVSCJYGN-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140301;MM140301;CC1(O)CC1C(N)CO;YFXJDQXBGWKGQJ-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140302;MM140302;CC1(O)CC1C(N)CF;JFYNMYQQSKXODK-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140303;MM140303;CCC(O)C1CC1(C)O;PWWYXPNBOWYJKQ-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140304;MM140304;CC1(O)CC1C(O)CN;BPANBEGPJWSMGU-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140305;MM140305;CC1(O)CC1C(O)CO;OJDWXYPTABHOCY-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140306;MM140306;CC1(O)CC1C(O)CF;KSRGJKQMIVYOKA-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140307;MM140307;CCC(F)C1CC1(C)O;MGIQASIQJKHWCO-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140308;MM140308;CC1(O)CC1C(F)CN;LLRHIJDREZNJCR-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140309;MM140309;CC1(O)CC1C(F)CO;LRBPQEIBXCDXCY-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140310;MM140310;CC1(O)CC1C(F)CF;IZWUUCRLIZBLEA-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140311;MM140311;CCC(C)C1CC1(C)F;XYYPMDUOJLPBJF-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140312;MM140312;CC(CN)C1CC1(C)F;NFCNOZURPXEEOS-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140313;MM140313;CCC(N)C1CC1(C)F;NYSKMQIBUCFBBV-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140314;MM140314;CC1(F)CC1C(N)CN;MCVWJTMBARSSIC-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140315;MM140315;CC1(F)CC1C(N)CO;HCLNPSXAWOFIKW-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140316;MM140316;CC1(F)CC1C(N)CF;ARTMGHJOJVNXQD-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140317;MM140317;CCC(O)C1CC1(C)F;RUGKRSSWZQHARL-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140318;MM140318;CC1(F)CC1C(O)CN;WIDYRBWQMHFNPU-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140319;MM140319;CC1(F)CC1C(O)CO;RZZRNLKDXGDOTN-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140320;MM140320;CC1(F)CC1C(O)CF;HSLTVQBUQAXNSR-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140321;MM140321;CCC(F)C1CC1(C)F;BOXHPQFXVPNQIP-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140322;MM140322;CC1(F)CC1C(F)CN;POXMZUCKAGRZJI-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140323;MM140323;CC1(F)CC1C(F)CO;YJDOJQIZIROISJ-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140324;MM140324;CCC(C)C1CC1(F)F;JIKJHNWSAVZQIH-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140325;MM140325;CC(CN)C1CC1(F)F;BMRCRGDXAAZUQS-UHFFFAOYSA-N;135.16;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140326;MM140326;CCC(N)C1CC1(F)F;UBDHBKJYLRBFBM-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140327;MM140327;NC(CO)C1CC1(F)F;DWEAYWMHRLBCRM-UHFFFAOYSA-N;137.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140328;MM140328;NC(CF)C1CC1(F)F;RBEQCCLDPSWJNR-UHFFFAOYSA-N;139.12;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140329;MM140329;CCC(O)C1CC1(F)F;OFCXAIJMQQJRTJ-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140330;MM140330;NCC(O)C1CC1(F)F;VZXUECAWOQNXGT-UHFFFAOYSA-N;137.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140331;MM140331;OCC(O)C1CC1(F)F;JVNGEOLVWGIYRT-UHFFFAOYSA-N;138.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140332;MM140332;CCC(F)C1CC1(F)F;LAWIDSGUYGIVDY-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140333;MM140333;NCC(F)C1CC1(F)F;IAWYYWGLDLDNIT-UHFFFAOYSA-N;139.12;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140334;MM140334;OCC(F)C1CC1(F)F;MSJDOMZTOCHNHM-UHFFFAOYSA-N;140.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140335;MM140335;CNC(C)C1CC1(C)C;KLNZGJBTORECSR-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140336;MM140336;CNC(C)C1CC1(C)N;UIXYYEVVUCXLRY-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140337;MM140337;CNC(C)C1CC1(C)O;CTMWOKGCHZDTBJ-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140338;MM140338;CNC(C)C1CC1(C)F;DFYQVGJAMZDUEB-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140339;MM140339;CNC(C)C1CC1(F)F;DQVYSKJEESVZHL-UHFFFAOYSA-N;135.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140340;MM140340;COC(C)C1CC1(C)C;KNHGNSRVBIFGOG-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140341;MM140341;COC(C)C1CC1(C)N;IHKKITJQVWRBFJ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140342;MM140342;COC(C)C1CC1(C)O;TYUCGBUZUYAIRX-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140343;MM140343;COC(C)C1CC1(C)F;DUYMAUWLKHZQEZ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140344;MM140344;COC(C)C1CC1(F)F;JUFPUSLEVNMLEB-UHFFFAOYSA-N;136.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140345;MM140345;CCN(C)C1CC1(C)C;PWGYKLFOLOSXHR-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140346;MM140346;CCN(C)C1CC1(C)N;KRFZWRLKZCXWKV-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140347;MM140347;CCN(C)C1CC1(C)O;BMKMKDDSKRIEAN-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140348;MM140348;CCN(C)C1CC1(F)F;LUNQYZVSWCRSCO-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140349;MM140349;CC(CN)C1NC1(C)C;LTDQCOUTZZXGLF-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140350;MM140350;CCC(N)C1NC1(C)C;OXOBPTJCQXQVOP-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140351;MM140351;CC1(C)NC1C(N)CN;MDMKUWHNMMUHTM-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140352;MM140352;CC1(C)NC1C(N)CO;XXTXXEMKHNLQBI-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140353;MM140353;CC1(C)NC1C(O)CN;ZPGTXJCABXYHGZ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140354;MM140354;CCC(F)C1NC1(C)C;MREQPWHRXVRXHK-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140355;MM140355;CC1(C)NC1C(F)CN;ICXUCDUNVHRMDR-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140356;MM140356;CC(C)=CCN(N)C=NO;QRSKMBMRPAJUBE-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140357;MM140357;CNC(C)C1NC1(C)C;MJGIOMARNNTRJL-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140358;MM140358;CCC(C)C1OC1(C)C;VRXYWNMVFNUDIK-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140359;MM140359;CC(CN)C1OC1(C)C;RMPLBHYEZKTNMW-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140360;MM140360;CC(CO)C1OC1(C)C;LLRHFSLPBPLPQR-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140361;MM140361;CC(CF)C1OC1(C)C;ZCJQLUUOUKPVKH-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140362;MM140362;CCC(N)C1OC1(C)C;VVJUDLDQNPJYIU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140363;MM140363;CC1(C)OC1C(N)CN;RCUGVXSOYXJUPG-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140364;MM140364;CCC(O)C1OC1(C)C;NODVQQUNUCCZJD-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140365;MM140365;CC1(C)OC1C(O)CN;BVQHEUNVZZVORS-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140366;MM140366;CC1(C)OC1C(O)CO;GPMVPQUJXHQILK-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140367;MM140367;CC1(C)OC1C(O)CF;CYJNGZIVEAAMFA-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140368;MM140368;CCC(F)C1OC1(C)C;DSGYVSKVCUPNRM-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140369;MM140369;CC1(C)OC1C(F)CN;NQQNHWAGOJFFDP-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140370;MM140370;CC1(C)OC1C(F)CO;YMWCHQXEOVSWCV-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140371;MM140371;CNC(C)C1OC1(C)C;VVTBRHWGJAAOGZ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140372;MM140372;COC(C)C1OC1(C)C;UQPWWNHMIHHXSE-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140373;MM140373;CC(CN)N1CC1(C)C;YIESSXGEJXYBRL-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140374;MM140374;C=CC(C)C1CC1(C)C;HRPHMXVIOTYCKL-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140375;MM140375;CC(C=O)C1CC1(C)C;WBXFFFQOAGPAOH-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140376;MM140376;CC(C#N)C1CC1(C)C;VDBLRTOJRWXPAB-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140377;MM140377;C=CC(N)C1CC1(C)C;KWABAZBBXSTWKY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140378;MM140378;CCC=CCN(N)C=NO;JCRDUYVMJAADTC-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140379;MM140379;CC1(C)CC1C(O)C=O;IXNMNWMGTRLSFD-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140380;MM140380;CC1(C)CC1C(O)C#N;FPPRLPQEJOGADB-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140381;MM140381;C=CC(F)C1CC1(C)C;NEIWDBIYYKBGON-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140382;MM140382;CC1(C)CC1C(F)C=O;DTEAIYZGQGNYAL-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140383;MM140383;CC1(C)CC1C(F)C#N;CVODVNTUJVGKEW-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140384;MM140384;C=CC(C)C1CC1(C)N;VGMNXJBPKRUVLA-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140385;MM140385;C=CC(N)C1CC1(C)N;AHEUFWPNXAZNJM-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140386;MM140386;C=CC(O)C1CC1(C)N;YVRYZXBGAVLKGQ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140387;MM140387;C=CC(F)C1CC1(C)N;UKTKFFKACFWQAC-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140388;MM140388;C#CCC(O)C(=O)NNC;XVQJCOZUSYEHNE-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140389;MM140389;CC(C=O)C1CC1(C)O;VSPFJCXDBQZVDE-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140390;MM140390;CC(C#N)C1CC1(C)O;KNOQCUDWTCIAQZ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140391;MM140391;C=CC(N)C1CC1(C)O;WZHPEZLFCPCERF-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140392;MM140392;C=CC(O)C1CC1(C)O;LFFHHEVAZRXSNL-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140393;MM140393;CC1(O)CC1C(O)C=O;NDVMPOOWXMPSNJ-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140394;MM140394;CC1(O)CC1C(O)C#N;QSEBZPPGOCZODZ-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140395;MM140395;C=CC(F)C1CC1(C)O;SHMRFEFZKSWWJM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140396;MM140396;CC1(O)CC1C(F)C=O;PJABMKLUEVFDKU-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140397;MM140397;CC1(O)CC1C(F)C#N;XJFPXYOELMNGSR-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140398;MM140398;C=CC(C)C1CC1(C)F;FAYZPASZDZZUPB-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140399;MM140399;CC(C=O)C1CC1(C)F;MMJIMAMVRAOJEG-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140400;MM140400;CC(C#N)C1CC1(C)F;FBQLLIWWFIUBNS-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140401;MM140401;C=CC(N)C1CC1(C)F;RYNJVAQFJSWSSD-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140402;MM140402;C=CC(O)C1CC1(C)F;KRNSXDUUXSJLPM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140403;MM140403;CC1(F)CC1C(O)C=O;WWUMSKZBSIQVIN-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140404;MM140404;CC1(F)CC1C(O)C#N;JHCDAYLDENGQHZ-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140405;MM140405;C=CC(F)C1CC1(C)F;KDFFXBJNHNMABR-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140406;MM140406;CC1(F)CC1C(F)C=O;GFLWRLZSFPDPMJ-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140407;MM140407;CC1(F)CC1C(F)C#N;IADBEIXZECBWHA-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140408;MM140408;C=CC(C)C1CC1(F)F;XQEPUADWBAIHLP-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140409;MM140409;CC(C=O)C1CC1(F)F;ZDPPXYVXVZENHT-UHFFFAOYSA-N;134.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140410;MM140410;CC(C#N)C1CC1(F)F;XKJGNDMZLHLCPL-UHFFFAOYSA-N;131.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140411;MM140411;C=CC(N)C1CC1(F)F;LNYDXWFBWULDAS-UHFFFAOYSA-N;133.14;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140412;MM140412;C=CC(O)C1CC1(F)F;MJUVMEYFHNGTFQ-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140413;MM140413;N#CC(O)C1CC1(F)F;VEIWKHANCWGFSC-UHFFFAOYSA-N;133.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140414;MM140414;C=CC(F)C1CC1(F)F;UGUUJRUHRRLXTJ-UHFFFAOYSA-N;136.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140415;MM140415;O=CC(F)C1CC1(F)F;MQEGFXYAEUPYJZ-UHFFFAOYSA-N;138.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140416;MM140416;N#CC(F)C1CC1(F)F;LVQVZTSXHZMXEQ-UHFFFAOYSA-N;135.09;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140417;MM140417;CN(C=N)C1CC1(C)C;BCVXEDOMWJKWKH-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140418;MM140418;CN(C=O)C1CC1(C)C;DWQTUEXIFORQAU-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140419;MM140419;CC1(C)CC1N(N)C=N;UJSWWBLHROXUIO-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140420;MM140420;CC1(C)CC1N(N)C=O;DLJMSVXOBYUECA-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140421;MM140421;CN(C=N)C1CC1(C)N;BUSDEKVWXINLIJ-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140422;MM140422;CN(C=O)C1CC1(C)N;LVDPMCZAALFWFF-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140423;MM140423;CN(C=N)C1CC1(C)O;GNXVOERHGBUVPH-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140424;MM140424;CN(C=O)C1CC1(C)O;ZFGXGDTWNOCFPB-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140425;MM140425;CC1(O)CC1N(N)C=N;GEBFMOLNEGBCBB-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140426;MM140426;CNNC(=O)N(N)C=NN;FGEIGXCSIFSLJD-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140427;MM140427;CN(C=N)C1CC1(C)F;PFYZINYQNQHZEL-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140428;MM140428;CN(C=O)C1CC1(C)F;MLJOYBJXIULRFV-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140429;MM140429;CC1(F)CC1N(N)C=N;HVZPAOKZTAMCJC-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140430;MM140430;CC1(F)CC1N(N)C=O;BSKMNHRCGDNCAP-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140431;MM140431;CN(C=N)C1CC1(F)F;NAYMSIZEZIGQOJ-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140432;MM140432;CN(C=O)C1CC1(F)F;UHKRFYQLCSDPDO-UHFFFAOYSA-N;135.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140433;MM140433;NN(C=O)C1CC1(F)F;WQIDIRHTTGFRJN-UHFFFAOYSA-N;136.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140434;MM140434;C=NN(C)C1CC1(C)C;KAPOUFFMIORLGI-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140435;MM140435;C=NN(C)C1CC1(C)N;TVQUTODRQACXJM-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140436;MM140436;C#CCNNC(=O)N(C)N;NICLDAAOIVHYSM-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140437;MM140437;C=NN(C)C1CC1(C)F;XAHUBOFSZXLBEQ-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140438;MM140438;C=NN(C)C1CC1(F)F;HVACFTAXCIHVHS-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140439;MM140439;CC(C#N)C1NC1(C)C;IAYBKFLPJCCZAL-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140440;MM140440;C=CC(N)C1NC1(C)C;LANZDEMYTASLLV-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140441;MM140441;CC(C=NNC=O)=C(N)N;BEIDSDSCLCDNBS-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140442;MM140442;C=CC(F)C1NC1(C)C;LCEVBKCJLOWPCH-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140443;MM140443;CNN=C(C)C(O)C(N)=O;OZLHPKMVPNLNGV-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140444;MM140444;CC1(C)NC1C(F)C#N;KWRXSHSRYAHXHI-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140445;MM140445;C=CC(C)C1OC1(C)C;GPUVXMXUEZDSEI-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140446;MM140446;CC(C=O)C1OC1(C)C;QFVHRKWQFVZGCQ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140447;MM140447;CC(C#N)C1OC1(C)C;GVFRNXSHTWXWHY-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140448;MM140448;C=CC(N)C1OC1(C)C;SNXVLAMZLMAFBB-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140449;MM140449;C=CC(O)C1OC1(C)C;WHFKRMYBJNFGQE-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140450;MM140450;CC1(C)OC1C(O)C=O;HPXMZZPSXZMGAL-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140451;MM140451;CC1(C)OC1C(O)C#N;WNFJQVQJMMCXRA-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140452;MM140452;C=CC(F)C1OC1(C)C;QMUQGJDYOPTOPR-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140453;MM140453;CC1(C)OC1C(F)C=O;IWAUBBURTDGPGA-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140454;MM140454;CC1(C)OC1C(F)C#N;ITSURAJCAITXDP-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140455;MM140455;CN(C(=O)CO)C(=O)NN;ZHELZRSJICKRGQ-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140456;MM140456;CC(C#N)N1CC1(C)C;SYGWDNNILQSURN-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140457;MM140457;CN(C=N)N1CC1(C)C;GPIWPLJOFKXPTH-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140458;MM140458;CN(C=O)N1CC1(C)C;XVWVLVWDBISTES-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140459;MM140459;C#CC(C)C1CC1(C)C;IGOOGCBFGVVBDH-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140460;MM140460;C#CC(N)C1CC1(C)C;LIBSMVKVRPGPLK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140461;MM140461;C#CC(O)C1CC1(C)C;JHXHZMFKNYHVPK-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140462;MM140462;C#CC(F)C1CC1(C)C;YUJPOFVRWFQYMX-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140463;MM140463;C#CC(C)C1CC1(C)N;IGCUUSSBJBMDML-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140464;MM140464;C#CC(N)C1CC1(C)N;GYNDNJYITYGESO-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140465;MM140465;C#CC(O)C1CC1(C)N;FXSNCPVOFSWGSU-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140466;MM140466;C#CC(F)C1CC1(C)N;YGIACQLNPZENLJ-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140467;MM140467;N=CN(C=NN)C(=O)NN;HZIPJHQKBICBQQ-UHFFFAOYSA-N;144.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140468;MM140468;C#CC(N)C1CC1(C)O;YDAOZGQZRHQYIT-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140469;MM140469;C#CC(O)C1CC1(C)O;WOPHDEVISSCHEA-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140470;MM140470;C#CC(F)C1CC1(C)O;UGFBBBPTPQIFCW-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140471;MM140471;C#CC(C)C1CC1(C)F;MEOVROYDTBFGER-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140472;MM140472;C#CC(N)C1CC1(C)F;QPZUUQUJPAKPMN-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140473;MM140473;C#CC(O)C1CC1(C)F;PPGDFEZTMUTWGB-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140474;MM140474;C#CC(F)C1CC1(C)F;IESCJWYQPCLLML-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140475;MM140475;C#CC(C)C1CC1(F)F;FWEOQMGCMXRXLR-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140476;MM140476;C#CC(N)C1CC1(F)F;YSKIPFKQEKODSW-UHFFFAOYSA-N;131.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140477;MM140477;C#CC(O)C1CC1(F)F;STZFPYXBKOAEBH-UHFFFAOYSA-N;132.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140478;MM140478;C#CC(F)C1CC1(F)F;SVQWQBLYIFCGQZ-UHFFFAOYSA-N;134.1;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140479;MM140479;C#CC(F)C1NC1(C)C;AZFXFJKSQDTXCZ-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140480;MM140480;C#CC(C)C1OC1(C)C;LPRNVIGMNVLIAC-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140481;MM140481;C#CC(N)C1OC1(C)C;OXRRXMJTDUUIQQ-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140482;MM140482;C#CC(O)C1OC1(C)C;SHLIONUNCRSFAH-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140483;MM140483;C#CC(F)C1OC1(C)C;XWZIAPMOVCESDZ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140484;MM140484;C#CC(C)N1CC1(C)C;SBSYSYHMKMVYPV-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140485;MM140485;C=C(CC)C1CC1(C)C;YXRUFZZQAKLZSV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140486;MM140486;C=C(CN)C1CC1(C)C;XULQDSKDCUMWHK-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140487;MM140487;C=C(CO)C1CC1(C)C;AFTJZVYYCIAOKU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140488;MM140488;C=C(CF)C1CC1(C)C;HFPCLGCWGODHJY-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140489;MM140489;CCC(=O)C1CC1(C)C;OQUWBYIAYRFRFB-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140490;MM140490;CC1(C)CC1C(=O)CO;DSBQZNYYCMYXQL-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140491;MM140491;C=C(CC)C1CC1(C)N;MUNYZHSCBDJUGV-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140492;MM140492;C=C(CN)C1CC1(C)N;MUJFKGJWIKRNFF-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140493;MM140493;C=C(CO)C1CC1(C)N;FWFINIFQIUHWEK-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140494;MM140494;C=C(CF)C1CC1(C)N;XSZNMWLEJQIHQG-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140495;MM140495;CN(O)C(=NO)NCCF;MFRVXRIJHPTNCD-UHFFFAOYSA-N;151.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140496;MM140496;C=C(CN)C1CC1(C)O;AJGUWVQJVPXVNR-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140497;MM140497;C=C(CO)C1CC1(C)O;UXYONCIMJBWMKH-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140498;MM140498;CCC(=O)C1CC1(C)O;BIBLMCUMSPBGEO-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140499;MM140499;CC1(O)CC1C(=O)CO;ABQJQSKMJZEEGP-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140500;MM140500;CC1(O)CC1C(=O)CF;SQXMZEXDFLPMEQ-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140501;MM140501;C=C(CC)C1CC1(C)F;DCUPKDYWOSUOKL-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140502;MM140502;C=C(CN)C1CC1(C)F;MUTFJZDRAYCHEI-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140503;MM140503;C=C(CO)C1CC1(C)F;DROLFFUHEGDLCE-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140504;MM140504;C=C(CF)C1CC1(C)F;FDPUDUSRAXJJQP-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140505;MM140505;CCC(=O)C1CC1(C)F;ZFTFNBWKDOXXQR-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140506;MM140506;C=C(CC)C1CC1(F)F;SLDBJZVKMNWXOF-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140507;MM140507;C=C(CN)C1CC1(F)F;MQTFIOBTMGNZKE-UHFFFAOYSA-N;133.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140508;MM140508;C=C(CO)C1CC1(F)F;KBZYRBUPGDSBPZ-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140509;MM140509;C=C(CF)C1CC1(F)F;IIVYVTNEZAYBHR-UHFFFAOYSA-N;136.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140510;MM140510;CCC(=O)C1CC1(F)F;IYXJHERLHCXARV-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140511;MM140511;O=C(CO)C1CC1(F)F;ZVXLQKSTMJWEAX-UHFFFAOYSA-N;136.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140512;MM140512;O=C(CF)C1CC1(F)F;JZBXIDYLLJZZNM-UHFFFAOYSA-N;138.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140513;MM140513;CNC(=N)C1CC1(C)C;RJQYGANMYSHKEL-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140514;MM140514;CC1(C)CC1C(=N)NN;VTYVLHIDSMFZPJ-UHFFFAOYSA-N;127.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140515;MM140515;CC1(C)CC1C(=N)NO;AUICVUZUHQWWGO-UHFFFAOYSA-N;128.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140516;MM140516;NC=C(C=NNC=O)CO;QMQPGVRERHVDJB-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140517;MM140517;CNC(CF)C(=O)CC#N;XASZJOJJFPHYDB-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140518;MM140518;CC1(C)CC1C(=O)NO;CDCSXXBJRSXJGK-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140519;MM140519;CNC(=N)C1CC1(C)N;LHUNGHIKKLKQNW-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140520;MM140520;CC1(N)CC1C(=N)NO;NXMWALLSTJEGCJ-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140521;MM140521;CNC(=O)C1CC1(C)N;XDATWFFBGLMLDO-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140522;MM140522;CC1(N)CC1C(=O)NO;UYJDANTURCZZND-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140523;MM140523;CNC(=N)C1CC1(C)O;IBQOXKMDIGCFEX-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140524;MM140524;CC1(O)CC1C(=N)NN;PNRNDJMVWCZNTI-UHFFFAOYSA-N;129.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140525;MM140525;CC1(O)CC1C(=N)NO;FCQZTLIHFGJDAD-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140526;MM140526;CNC(=O)C1CC1(C)O;OGYZZKDRIQNNJX-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140527;MM140527;CNC(=NO)N(O)CCF;DYXFDAONVRJPRM-UHFFFAOYSA-N;151.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140528;MM140528;CC1(O)CC1C(=O)NO;LSBKMARTCSTPNV-UHFFFAOYSA-N;131.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140529;MM140529;CNC(=N)C1CC1(C)F;KJCRLZGFQGIDCD-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140530;MM140530;CC1(F)CC1C(=N)NN;ZUZBDVUYWDMMLW-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140531;MM140531;CNC(=O)C1CC1(C)F;AEBKJJDASQKXGN-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140532;MM140532;C=NNC1=NC=C(CC)C1;HOFOCCLKVFSCOK-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140533;MM140533;CNC(=N)C1CC1(F)F;RJTKAENHUSHFDD-UHFFFAOYSA-N;134.13;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140534;MM140534;N=C(NN)C1CC1(F)F;LREQANBOSAJIPD-UHFFFAOYSA-N;135.12;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140535;MM140535;CNC(=O)C1CC1(F)F;VNYBAZBTPRJBFA-UHFFFAOYSA-N;135.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140536;MM140536;O=C(NO)C1CC1(F)F;QKVIFEQJSRTQJU-UHFFFAOYSA-N;137.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140537;MM140537;C=C(OC)C1CC1(C)C;XKGGGRJPYJECFG-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140538;MM140538;COC(=O)C1CC1(C)C;QFTQPFAIVFBZJO-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140539;MM140539;C=C(OC)C1CC1(C)N;RRJZLMTXURUSOV-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140540;MM140540;COC(=O)C1CC1(C)N;BJDLFCMDNHSXIX-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140541;MM140541;C=C(OC)C1CC1(C)O;RKVPGZLQTDXDME-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140542;MM140542;COC(=O)C1CC1(C)O;QGSLPQGVLVTZTO-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140543;MM140543;C=C(OC)C1CC1(C)F;FICMUGVBGIQVHZ-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140544;MM140544;COC(=O)C1CC1(C)F;VOMYSRFQHAQEJY-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140545;MM140545;C=C(OC)C1CC1(F)F;IWGBRNGPWGUUMW-UHFFFAOYSA-N;134.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140546;MM140546;COC(=O)C1CC1(F)F;IGODTYYMANEIRW-UHFFFAOYSA-N;136.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140547;MM140547;C=C(CN)C1NC1(C)C;CWXXRULTURRXLK-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140548;MM140548;N#CCc1cn(C=N)nn1;GVAYAZDMBHFVLP-UHFFFAOYSA-N;135.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140549;MM140549;Cc1c(CO)c[nH]c1N=O;NISPSQPLEUYJEY-UHFFFAOYSA-N;140.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140550;MM140550;CCC1=CCC(=NO)NC1;JNZHDSFAXNCQKK-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140551;MM140551;CNC(=N)C1NC1(C)C;KKORCYZVDWKZDG-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140552;MM140552;CC1(C)NC1C(=N)NN;RUJDBRFFFVKYRG-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140553;MM140553;Cc1nc(F)c[nH]1;UBNMLRBLYYBXBW-UHFFFAOYSA-N;100.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140554;MM140554;CCCN(N)C=NO;LASBRZPMADULTP-UHFFFAOYSA-N;117.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140555;MM140555;CC1(C)NC1C(=O)NO;ZQFZZZQFAQUUFI-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140556;MM140556;C=C(OC)C1NC1(C)C;IAVJROMZDKVSIX-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140557;MM140557;COC(=O)C1NC1(C)C;JSTBTMPTTAFOSB-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140558;MM140558;C=C(CC)C1OC1(C)C;JNUSHCLFCBUPIQ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140559;MM140559;C=C(CN)C1OC1(C)C;FGSIZNONNXBABY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140560;MM140560;C=C(CO)C1OC1(C)C;CBGJSFDKTOCJPG-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140561;MM140561;C=C(CF)C1OC1(C)C;FSGRKJQCEDVUHN-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140562;MM140562;CCC(=O)C1OC1(C)C;GABBMFOXIOKWDR-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140563;MM140563;CC1(C)OC1C(=O)CO;MWYAHSOUFUPWFF-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140564;MM140564;CC1(C)OC1C(=O)CF;ZTSQPDLQXGKMMX-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140565;MM140565;CC1(C)OC1C(=N)NN;BQNDYKHAGOZHLL-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140566;MM140566;CNC(=O)C1OC1(C)C;OBQILQQOEBMDFP-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140567;MM140567;CC(=O)OCC(=O)NN;AYLJMHBWWGUSLK-UHFFFAOYSA-N;132.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140568;MM140568;CC1(C)OC1C(=O)NO;QOFKLDLGGKFKNE-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140569;MM140569;C=C(OC)C1OC1(C)C;MVXUKSMLWKMKBN-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140570;MM140570;COC(=O)C1OC1(C)C;NAQGOYHXFOHGHQ-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140571;MM140571;CCC(=N)N1CC1(C)C;UBYHBNAOHQGAQY-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140572;MM140572;CC1(C)CN1C(=N)CN;KURBZHWRPYJDEA-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140573;MM140573;CC1(C)CN1C(=N)CO;GXJWVRDBBUNBTD-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140574;MM140574;CCC(=O)N1CC1(C)C;VSDSIOKZHXWDEY-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140575;MM140575;CC1(C)CN1C(=O)CO;OPWFRVLBBPZPBC-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140576;MM140576;CC1(C)CN1C(=O)CF;WWMVVSAJCAMEJO-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140577;MM140577;CNC(=N)N1CC1(C)C;REEMTOHPQZFPFB-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140578;MM140578;CC1(C)CN1C(=N)NN;FJNRNNSUCPASCC-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140579;MM140579;CC1(C)CN1C(=N)NO;ZJIQQGWANNVNQG-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140580;MM140580;CNC(=O)N1CC1(C)C;RSXUWOUZLCFFQZ-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140581;MM140581;C=C(C=NNC=O)CC;QMXAYRCSSWMQIZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140582;MM140582;CC1(C)CN1C(=O)NO;NALUAPFPIZLQKE-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140583;MM140583;COC(=O)N1CC1(C)C;UVSSQQRYELCPHP-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140584;MM140584;C=CC(=C)C1CC1(C)C;HPMJBDRJYZVQLP-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140585;MM140585;C=C(C=O)C1CC1(C)C;MTPKYSZOYHULJV-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140586;MM140586;C=C(C#N)C1CC1(C)C;OOGXAIBKQSLTSL-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140587;MM140587;C=CC(=O)C1CC1(C)C;DSVUDCOJBRDEMG-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140588;MM140588;CC1(C)CC1C(=O)C=O;AOFZFPOJLIFIMW-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140589;MM140589;CC1(C)CC1C(=O)C#N;YMYBDMYSDVWCIJ-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140590;MM140590;C=CC(=C)C1CC1(C)N;MQHYEEICYDIESQ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140591;MM140591;CC=C(C)C=NNC=O;AKGYTPNVUBXRHL-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140592;MM140592;C=C(C=O)C1CC1(C)O;QRNWGNOXFCITIA-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140593;MM140593;C=C(C#N)C1CC1(C)O;BJUPJIFWGPAHER-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140594;MM140594;C=CC(=O)C1CC1(C)O;XMBPNMCHMPRJAQ-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140595;MM140595;CC1(O)CC1C(=O)C=O;OSZJKXBZIIZAIE-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140596;MM140596;CC1(O)CC1C(=O)C#N;IPMLSDNAXDIKNM-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140597;MM140597;C=CC(=C)C1CC1(C)F;MAEOYKAPRITTEU-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140598;MM140598;C=C(C=O)C1CC1(C)F;BEPNAOKCQFWIKF-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140599;MM140599;C=C(C#N)C1CC1(C)F;RXCDITGGTGUTRM-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140600;MM140600;C=CC(=O)C1CC1(C)F;BRTYFRKLMVOVAF-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140601;MM140601;CC1(F)CC1C(=O)C=O;YFYJTMBEJKWEFK-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140602;MM140602;CC1(F)CC1C(=O)C#N;UZURYOPQWWDBRK-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140603;MM140603;C=CC(=C)C1CC1(F)F;JYVSPPZGMUPJPC-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140604;MM140604;C=C(C=O)C1CC1(F)F;UWCABERRUQHDKZ-UHFFFAOYSA-N;132.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140605;MM140605;C=C(C#N)C1CC1(F)F;NXYGNJOAIJDRMZ-UHFFFAOYSA-N;129.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140606;MM140606;C=CC(=O)C1CC1(F)F;RKBREDQMDROAMC-UHFFFAOYSA-N;132.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140607;MM140607;O=CC(=O)C1CC1(F)F;KZFUNEJCLIYNTI-UHFFFAOYSA-N;134.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140608;MM140608;N#CC(=O)C1CC1(F)F;ZNNOOYMLQIZHDG-UHFFFAOYSA-N;131.08;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140609;MM140609;C=C(C=O)C1NC1(C)C;YMAZOSHSDDMSIC-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140610;MM140610;C=C(C#N)C1NC1(C)C;ZFTLYQSSRRITHT-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140611;MM140611;CC(C=NNC=O)=CN;AHUZLLLYZSZQLX-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140612;MM140612;C=C(CC)N(C)C=NO;YOKIDJOKAVECOD-UHFFFAOYSA-N;128.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140613;MM140613;CC=C(C)N(C)C=NO;UYSOPZDMBQZSTD-UHFFFAOYSA-N;128.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140614;MM140614;C=CC(=C)C1OC1(C)C;MXYBMYYOJIIHOB-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140615;MM140615;C=C(C=O)C1OC1(C)C;CHRKRGMVYSOYDL-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140616;MM140616;C=C(C#N)C1OC1(C)C;IOXLBYWFVQIGCA-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140617;MM140617;C=CC(=O)C1OC1(C)C;HXLLWEGYOHQCRA-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140618;MM140618;CC1(C)OC1C(=O)C=O;WUTMCYQNCPUNLH-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140619;MM140619;CC1(C)OC1C(=O)C#N;YNAAAEVBJOPTBI-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140620;MM140620;C=CC(=N)N1CC1(C)C;CNRLKONQZDOXJH-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140621;MM140621;CC1(C)CN1C(=N)C=O;REBILAZYDHJDHP-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140622;MM140622;CC1(C)CN1C(=N)C#N;FBQWXKJZHYXGCL-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140623;MM140623;C=CC(=O)N1CC1(C)C;ZYXGZYSUCLOPFO-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140624;MM140624;CC1(C)CN1C(=O)C=O;QJLYRFQFAMQFEB-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140625;MM140625;CC1(C)CN1C(=O)C#N;MTCTUEKWGXINJU-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140626;MM140626;C#CC(=C)C1CC1(C)C;YVOHPIUVNCNIDH-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140627;MM140627;C#CC(=O)C1CC1(C)C;QYINGHUBUAMYMI-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140628;MM140628;C#CC(=C)C1CC1(C)N;HCFHXFSRGJNKQS-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140629;MM140629;C=CN(C=NO)C(C)C;KISRXDVZRZAGRV-UHFFFAOYSA-N;128.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140630;MM140630;C#CC(=O)C1CC1(C)O;QIJDZVOHZJVRIG-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140631;MM140631;C#CC(=C)C1CC1(C)F;YWAHIXYAOUWAAC-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140632;MM140632;C#CC(=O)C1CC1(C)F;ZOLLCKPAHGGNQF-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140633;MM140633;C#CC(=C)C1CC1(F)F;RCSUFNOKALBAFV-UHFFFAOYSA-N;128.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140634;MM140634;C#CC(=O)C1CC1(F)F;FDXWXSGVBOTGCQ-UHFFFAOYSA-N;130.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140635;MM140635;C#CC(=C)C1NC1(C)C;QRESCTXJVYSODV-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140636;MM140636;O=CCNC(=NO)NO;FNSBTOYCNNJZFD-UHFFFAOYSA-N;133.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140637;MM140637;C#CC(=C)C1OC1(C)C;YCSYPTNQASKZLE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140638;MM140638;C#CC(=O)C1OC1(C)C;XVHTUBSDUGEEJV-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140639;MM140639;C#CC(=N)N1CC1(C)C;FVFIYGZWIVQMDP-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140640;MM140640;C#CC(=O)N1CC1(C)C;ALVXBDXEFGDTFU-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140641;MM140641;CC1CCC(C)(C)C1C;CXCBKSYSKZEEJB-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140642;MM140642;CC1C(N)CCC1(C)C;CXAUQKCLDYQNGQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140643;MM140643;CC1C(F)CCC1(C)C;XBIPIVPSBGTIPR-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140644;MM140644;CC1(C)CCC(N)C1N;LGPFNMWBUHBIIL-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140645;MM140645;CC1CCC(C)(N)C1C;DNKBJOHCMHGLTE-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140646;MM140646;CC1C(F)CCC1(C)N;OPAYQTAEIVYOPC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140647;MM140647;C=NOC(=O)CC(=O)NN;KOAJIKBXERHRQD-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140648;MM140648;CC1C(O)CCC1(C)O;LMLFCDZNEJTRKT-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140649;MM140649;CC1NCC(C)(C)C1C;BUJKKJLVEFZQFY-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140650;MM140650;CC1NCC(C)(N)C1C;OLLHSVTXPJEFQI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140651;MM140651;CC1CNC(C)(C)C1C;NDSMENKHZAIZJA-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140652;MM140652;CC1C(N)CNC1(C)C;SWWNWUDBBOEYLV-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140653;MM140653;CC1C(F)CNC1(C)C;OTBYTASHSVYZGR-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140654;MM140654;CC1COC(C)(C)C1C;GDVCFBIPVXSETH-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140655;MM140655;CC1C(N)COC1(C)C;QUEFZRBPCBCVMD-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140656;MM140656;CC1C(F)COC1(C)C;RIDZQCNASFLLTE-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140657;MM140657;CC1N(C)CCC1(C)C;DIBZRVDUUCWLJI-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140658;MM140658;CC1N(C)CCC1(C)N;ZADMKNOIYBSPOR-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140659;MM140659;C=C1CCC(C)(C)C1C;PWZTUMHLAGMKAX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140660;MM140660;CC1C(=O)CCC1(C)C;RZQRIBYBTHKBPK-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140661;MM140661;C=C1CCC(C)(N)C1C;RJJYREHJKPVLJA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140662;MM140662;C=NNC(=O)C=C(C)OC;HJUINIGTRKFVKY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140663;MM140663;CC1C(=O)CCC1(C)O;RAFVNMSVUJWSIH-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140664;MM140664;CC1C(=N)NCC1(C)C;LPEROYNZZDSOJK-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140665;MM140665;CC1C(=O)NCC1(C)C;LNQQSOMRHLGURJ-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140666;MM140666;CC1C(=N)NCC1(C)N;MDAMWZGUAMJLBK-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140667;MM140667;CC1C(=O)NCC1(C)N;HKSLGUASUZPBRG-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140668;MM140668;CC1C(=N)NCC1(C)O;MMYOEHPAESNZDO-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140669;MM140669;CC1C(=O)NCC1(C)O;NYQWRGBWDSPDKJ-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140670;MM140670;CC1C(=N)NCC1(C)F;DQRPWRFGNAQUDU-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140671;MM140671;C=C1OCC(C)(C)C1C;IKPQOXDCNJCLSG-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140672;MM140672;CC1C(=O)OCC1(C)C;REYDLGVIKHOSMB-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140673;MM140673;C=C1OCC(C)(N)C1C;JYEOMGARRNASBE-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140674;MM140674;CC1C(=O)OCC1(C)N;QRMQKVWNYVSQED-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140675;MM140675;C=C1OCC(C)(O)C1C;GNWYYEFKTWNAET-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140676;MM140676;C=C1OCC(C)(F)C1C;PHFUWAARQMGLBT-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140677;MM140677;C=C1CNC(C)(C)C1C;YDOCETYRGHHGHZ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140678;MM140678;CC1C(=N)NNC1(C)C;FZKFNQKDKODBPF-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140679;MM140679;CNNC(=NO)NC(C)=O;NGOACGGEWUEKGS-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140680;MM140680;C=C1COC(C)(C)C1C;VENVXGWDBCYREY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140681;MM140681;CC1C(=O)COC1(C)C;IMGKHNBWOXQHCK-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140682;MM140682;CC1C(=N)NOC1(C)C;LRGRGIVEQKSMHO-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140683;MM140683;CN1C(=N)CCC1(C)C;LPKTYJGNILFCOL-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140684;MM140684;CN1C(=O)CCC1(C)C;YARDEGUIPATLSG-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140685;MM140685;CN1C(=N)NCC1(C)C;FFQXOBSZCRFITG-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140686;MM140686;CN1C(=O)NCC1(C)C;LFTBDHQKURCNMK-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140687;MM140687;CN1C(=O)OCC1(C)C;KVPZSRWPDYRSRG-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140688;MM140688;C=C1C(C)CCC1(C)C;UQWAKNKLQKXTSN-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140689;MM140689;C=C1C(N)CCC1(C)C;LLEHVIDFSBZSGP-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140690;MM140690;CNNC(=O)COCCF;JPAYRAQWUCUZOK-UHFFFAOYSA-N;150.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140691;MM140691;C=C1C(F)CCC1(C)C;ZTJQMCJOJXMIAB-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140692;MM140692;C=C1C(C)CCC1(C)N;CRJPUHCIWMZISI-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140693;MM140693;C=C1C(N)CCC1(C)N;YIEMQMUZCZNIDL-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140694;MM140694;C=C1C(O)CCC1(C)N;HWTRCDDRSIXEJH-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140695;MM140695;CNNC(=O)NNCCO;TTWNIQXLNHLLDL-UHFFFAOYSA-N;148.17;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140696;MM140696;C=C1C(N)CCC1(C)O;IOLFIKXSLBLKQW-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140697;MM140697;C=C1C(O)CCC1(C)O;BXWVPVFYUGGYIB-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140698;MM140698;C=C1C(C)CCC1(C)F;XFCYHLXPTCHJDQ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140699;MM140699;C=C1C(C)NCC1(C)C;DRENKDABIMTDQL-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140700;MM140700;C=C1C(C)NCC1(C)N;BOVVSRORNHZUIN-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140701;MM140701;C=C1C(C)NCC1(C)O;NLJJCQCZQXFJBZ-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140702;MM140702;C=C1C(C)OCC1(C)O;OXVNHPFWJJJGPC-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140703;MM140703;C=C1C(C)CNC1(C)C;UMRQSRUQMYIJFN-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140704;MM140704;C=C1C(N)CNC1(C)C;DTNYPWODJPVYBN-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140705;MM140705;C=C1C(O)CNC1(C)C;XIUSQUKXUCJQEM-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140706;MM140706;C=C1C(F)CNC1(C)C;HSCLGWZXJQVZPH-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140707;MM140707;C=C1C(C)COC1(C)C;PUNPLADLIPVCSH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140708;MM140708;C=C1C(N)COC1(C)C;QHFAVIYJYFDXCS-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140709;MM140709;C=C1C(O)COC1(C)C;YMMDAEKXLVXDAB-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140710;MM140710;C=C1CCC(C)(C)C1=C;RPYLCYORZLRGEQ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140711;MM140711;C=C1C(=O)CCC1(C)C;OUKZKRQBOUBWOD-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140712;MM140712;C=C1CCC(C)(N)C1=C;CDNLPMGDHPWPDO-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140713;MM140713;CCC=C(C)C=NNC=O;SCZYKBJUKWHZMQ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140714;MM140714;C=C1C(=O)CCC1(C)O;DGAPBIRKIADCQY-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140715;MM140715;C=C1CCC(C)(F)C1=C;GPFODIRQBPNOKW-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140716;MM140716;C=C1C(=N)NCC1(C)C;CPSVRUANBRFKIF-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140717;MM140717;C=C1C(=O)NCC1(C)C;SKQPSFXZNWXAKR-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140718;MM140718;C=C1C(=N)NCC1(C)N;LTKWCBANCBNOKT-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140719;MM140719;C=C1C(=O)NCC1(C)N;FISAFAMHQSHIOZ-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140720;MM140720;C=C1C(=N)NCC1(C)O;YXRQTTUSZAHZLI-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140721;MM140721;C=C1C(=O)NCC1(C)O;UXCLYSZTFPIAEG-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140722;MM140722;C=C1C(=N)NCC1(C)F;KTMAPPNLLBEWDF-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140723;MM140723;C=C1OCC(C)(C)C1=C;TUSUVJLAJCJTBR-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140724;MM140724;C=C1C(=O)OCC1(C)C;AJMWOGKZJWZTOP-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140725;MM140725;C=C1OCC(C)(N)C1=C;KMAVNGRWPVWDKM-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140726;MM140726;C=C1OCC(C)(O)C1=C;LEFUUVIMBDANFZ-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140727;MM140727;C=C1C(=O)OCC1(C)O;BFVQEMKRTPOSHU-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140728;MM140728;C=C1OCC(C)(F)C1=C;XAJNACCVJBDURO-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140729;MM140729;C=C1CNC(C)(C)C1=C;DPWXKRNDSLZKMC-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140730;MM140730;C=C1C(=N)NNC1(C)C;GQNSBPOYSUFQFE-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140731;MM140731;C=C1C(=O)NNC1(C)C;AXSVSYJIFBUDFN-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140732;MM140732;C=C1COC(C)(C)C1=C;UDLWNPLEBOFVAZ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140733;MM140733;C=C1C(=O)COC1(C)C;QDEXWRPDCSGBNM-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140734;MM140734;C=C1C(=N)NOC1(C)C;XFLGPVOFWUIBIA-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140735;MM140735;CC1C=CC(C)(C)C1C;OQZXGEGPVBXWOB-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140736;MM140736;CC1C(N)C=CC1(C)C;UHPCXOJWIZTWOL-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140737;MM140737;CNC=C(C)C=NNC=O;UFKWXHIMBIMNSR-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140738;MM140738;CC1C(F)C=CC1(C)C;IBTFKWWQINPAEL-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140739;MM140739;CC1C=CC(C)(C)C1N;SOPIKFZUDSKVKC-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140740;MM140740;CC1(C)C=CC(N)C1N;HUTPVUVZCWPGCU-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140741;MM140741;CC1(C)C=CC(O)C1N;YHEZAZLYQNDEBQ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140742;MM140742;CC1C=CC(C)(N)C1C;FSHMXBPAEXLAQY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140743;MM140743;CC1C(O)C=CC1(C)N;AJRXAPNEOOJDEJ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140744;MM140744;CC1C(F)C=CC1(C)N;JMEZMDQAYKGUFF-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140745;MM140745;C=NNC(=O)C(C)=CNC;QWZJOWRSTOBRSX-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140746;MM140746;CC1C(N)C=CC1(C)O;UKBXSRHZLKSTGN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140747;MM140747;CC1C(O)C=CC1(C)O;NQSHBZIHPRQTQU-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140748;MM140748;CC1C(F)C=CC1(C)O;KWNXOLDTRYIJNN-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140749;MM140749;CC1C=CC(C)(F)C1C;JLVXKDZWANYVAM-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140750;MM140750;CC1N(C)N=CC1(C)C;BLPNFEYQXHWBCR-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140751;MM140751;C=C(C=NNC=O)C(C)C;QRSOFRWUVKNTQN-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140752;MM140752;CC1N(C)C=NC1(C)C;BVVARSAOQZQBQY-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140753;MM140753;CC(C)=C(C)C=NNC=O;LYQPNNOLDMXUBL-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140754;MM140754;CC1C=CC(C)(C)N1C;XAISZPRWIXONRM-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140755;MM140755;C=C1C=CC(C)(C)C1C;GIYOWYDPVUKJIA-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140756;MM140756;CC1C(=O)C=CC1(C)C;CZAFWLACPSATGE-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140757;MM140757;C=C1C=CC(C)(C)C1N;KDGADVVXNJWJJU-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140758;MM140758;C=C1C=CC(C)(N)C1C;RBYILDYGGQBITA-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140759;MM140759;C=C1C=CC(C)(N)C1N;LVTCMNCDXKQXGI-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140760;MM140760;C#CC(C)NC(CC)=NO;YTAIXDKFFPKFDS-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140761;MM140761;CC1C(=O)C=CC1(C)O;KUZRPQHDPJDXAZ-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140762;MM140762;C=C1C=CC(C)(F)C1C;DVFWBNRNYUPTPU-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140763;MM140763;CN1C(=N)C=CC1(C)C;UMIWTSUQKSNZOH-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140764;MM140764;CN1C(=O)C=CC1(C)C;BQLONUVACIRGEW-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140765;MM140765;C=C1C(C)C=CC1(C)C;CFWULMFBRNNPBL-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140766;MM140766;C=C1C(N)C=CC1(C)C;MUFUMTOFYLDPDB-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140767;MM140767;COC(=NN)NNC(N)=O;DFZREBMFYQTXJT-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140768;MM140768;C=C1C(F)C=CC1(C)C;OORXHIBUZUHLTG-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140769;MM140769;C=C1C(C)C=CC1(C)N;JPZYEFMCTPSXJV-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140770;MM140770;C=C1C(N)C=CC1(C)N;MMAIIOZWAJWBQQ-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140771;MM140771;C=C1C(O)C=CC1(C)N;LSZLNMSVPFCDOC-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140772;MM140772;C=C1C(F)C=CC1(C)N;TZNDHVKWBFVATF-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140773;MM140773;C=C(CC)C(=O)NN=CC;MZSOIEJJOOIILF-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140774;MM140774;C=C1C(N)C=CC1(C)O;DVSOZUNCLBNDMQ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140775;MM140775;C=C1C(O)C=CC1(C)O;VGNWOSGIPBZWMZ-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140776;MM140776;C=C1C(C)C=CC1(C)F;LZZKLPADGXXCRV-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140777;MM140777;CN1C=CC(C)(C)C1=N;FUQXKIVDBJGUIE-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140778;MM140778;C=C1N(C)C=NC1(C)C;GWIICFVSLLQVKL-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140779;MM140779;C=CC#CCNC(C)=NO;VZEUPJIKRQEAGB-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140780;MM140780;C=C1C=CC(C)(C)C1=C;GUQTXCNKMDUSID-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140781;MM140781;C=C1C(=O)C=CC1(C)C;TYQPWIGYSYKMSM-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140782;MM140782;C=C1C=CC(C)(C)C1=O;RRRWTIHRNKVVPG-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140783;MM140783;C=C1C=CC(C)(N)C1=C;AYTPTTSFIFKURN-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140784;MM140784;C#CC(N)=CC=NNC=O;OANOHMWNODJOAS-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140785;MM140785;C=C1C(=O)C=CC1(C)O;OVAKRVQISXAIKS-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140786;MM140786;C=C1C=CC(C)(F)C1=C;GPZZRXDTDBPMSF-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140787;MM140787;C=C1C(=O)C=CC1(C)F;XYJIAXJSCPWUFJ-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140788;MM140788;CC1=CCC(C)(C)C1C;KYUUCOKWMGLYBS-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140789;MM140789;CC1C(F)=CCC1(C)C;BMGZBRRFYXLWQJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140790;MM140790;CC1=CCC(C)(C)C1N;NKNULEACFLAGNI-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140791;MM140791;CC1=CCC(C)(N)C1C;DISNRZVDFHGHGG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140792;MM140792;CC1C(F)=CCC1(C)N;PKRUEOOTKSTLFI-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140793;MM140793;CC=C(C=NNC=O)CC;WLTVCFOUBRODNX-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140794;MM140794;CC1=NNC(C)(C)C1C;QZIRJZDWXQJNHN-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140795;MM140795;CC1=COC(C)(C)C1C;DSXHHQZQQIEEEB-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140796;MM140796;CC1=NOC(C)(C)C1C;DUSPRMUKQNFUOQ-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140797;MM140797;CC1=NCC(C)(C)N1C;WFUQYLNRSSKOJG-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140798;MM140798;C=C1C(C)=CCC1(C)C;ZUHITFIBRTVDRE-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140799;MM140799;C=C1C(F)=CCC1(C)C;UKDGRSHYWHLLTG-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140800;MM140800;C=C1C(C)=CCC1(C)N;GSQYYMNGOOWZNB-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140801;MM140801;C=C1C(F)=CCC1(C)N;RTVHPSNKYVKDLQ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140802;MM140802;C=COC(=O)C(C=O)NC;AVKNBJFDYWFJJO-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140803;MM140803;C=C1C(C)=CCC1(C)F;BVUBYOISGLCVSZ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140804;MM140804;C=C1C(C)=NNC1(C)C;RTSWDYWIWQDWQF-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140805;MM140805;C=C1C(C)=COC1(C)C;HYSRSEMPFOZTSB-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140806;MM140806;C=C1C(F)=COC1(C)C;NGOHOMXWUUBBRX-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140807;MM140807;C=C1C(C)=NOC1(C)C;KGXGPFFAEXSBFB-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140808;MM140808;CC1=C(C)C(C)(C)CC1;MZTWSHKTTZVPJL-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140809;MM140809;CC1=C(F)CCC1(C)C;JXPDKOJKYHCYGQ-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140810;MM140810;CC1=C(C)C(C)(N)CC1;GBJLNJNKXJNWIA-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140811;MM140811;CC1=C(F)CCC1(C)N;IFXXWYPAMQUITR-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140812;MM140812;C=NNC(=O)C(=CN)CC;HKJJCJYCMOUVRD-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140813;MM140813;CC1=C(F)CCC1(C)O;BVKOILAXKFFZPU-UHFFFAOYSA-N;130.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140814;MM140814;CC1=C(C)C(C)(F)CC1;GXTZLMLMWPSRHY-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140815;MM140815;CC1=C(C)C(C)(C)CO1;DQENBMXVVKHDOU-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140816;MM140816;CC1=C(C)C(C)(N)CO1;ZWOVSCYTHYLEFI-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140817;MM140817;CC1=C(C)C(C)(O)CO1;UQIZMDSSKKDFQL-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140818;MM140818;CC1=C(C)C(C)(F)CO1;HUGSNNDFNZACNZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140819;MM140819;CC1=C(C)C(C)(C)NC1;FBTGAXSRHZZZOI-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140820;MM140820;CC1=C(F)CNC1(C)C;GGEPDLOTCCEVHK-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140821;MM140821;CC1=C(C)C(C)(C)OC1;HJTWYZQOVAXFGJ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140822;MM140822;CC1=C(F)COC1(C)C;IGJRNWFCHOKKKW-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140823;MM140823;CC1=C(C)C(C)(C)C=C1;FZQSOBIGZJECPN-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140824;MM140824;CC1=C(F)C=CC1(C)C;DOEBBWOKSNDSNW-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140825;MM140825;CC1=C(C)C(C)(N)C=C1;BAXJCHZFUHVWOW-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140826;MM140826;CC1=C(F)C=CC1(C)N;LPWBIXHNKNUEIK-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140827;MM140827;C#CC(C#N)CC1CN1C;WCEJLJBGURNFAW-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140828;MM140828;CC1=C(F)C=CC1(C)O;KMQHCAJTGFSCOC-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140829;MM140829;CC1=C(C)C(C)(F)C=C1;LSWWXYDEVCPFEB-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140830;MM140830;CC1=C(C)C(F)(F)C=C1;YDBABZRPZIVOFD-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140831;MM140831;CCC1CCC(C)(C)C1;WXHYOGXBESCULU-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140832;MM140832;CC1(C)CCC(CN)C1;CNGKJQOCQZBXEQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140833;MM140833;C=Cn1cnc(NC)c1O;PJAUULUAYLQXRC-UHFFFAOYSA-N;139.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140834;MM140834;CC1(C)CCC(CF)C1;KKTCMCMQOQHXSU-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140835;MM140835;CCC1CCC(C)(N)C1;XETYDKKZXWWNAB-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140836;MM140836;CC1(N)CCC(CN)C1;OKKKCQSYEHRXRB-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140837;MM140837;CC1(N)CCC(CO)C1;ADWKJCGOBRFUHP-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140838;MM140838;CC1(N)CCC(CF)C1;VLUMLOZXAINSPH-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140839;MM140839;C=CC1=CNC(=NO)CC1;FAIIVDBCZLEXBU-UHFFFAOYSA-N;138.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140840;MM140840;CC1(O)CCC(CN)C1;KBWSXIGACGNLDH-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140841;MM140841;CC1(O)CCC(CO)C1;KRJKEDGDMADAAE-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140842;MM140842;CC1(O)CCC(CF)C1;AMVUXLDXLCQFDQ-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140843;MM140843;CCC1CCC(C)(F)C1;IVRFQAVVCDGURB-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140844;MM140844;CC1(F)CCC(CN)C1;RWFRTWATPFISQT-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140845;MM140845;CC1(F)CCC(CO)C1;RLGGUFWHRLNXOR-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140846;MM140846;CC1(F)CCC(CF)C1;AUNPLJKZSCHOCW-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140847;MM140847;CCC1CCC(F)(F)C1;NMFJOQGFPHDHRK-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140848;MM140848;NCC1CCC(F)(F)C1;MBNJAGKPJGONBM-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140849;MM140849;FCC1CCC(F)(F)C1;CPJAGMYQXIEPPZ-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140850;MM140850;CNC1CCC(C)(C)C1;UQLWLZGAKVLEGP-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140851;MM140851;CNC1CCC(C)(N)C1;GUOBCTXGGISVMS-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140852;MM140852;CNC1CCC(C)(O)C1;SQIYJRWPMVGDMY-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140853;MM140853;CNC1CCC(C)(F)C1;FQGJWCBAGZCJKV-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140854;MM140854;CNC1CCC(F)(F)C1;CODQFIKXMORBLY-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140855;MM140855;COC1CCC(C)(C)C1;MKYBPMNOJPJLEN-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140856;MM140856;COC1CCC(C)(N)C1;ATMIGSMBZKNYKV-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140857;MM140857;COC1CCC(C)(F)C1;BQDYNRXEEMYWHC-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140858;MM140858;CCC1CC(C)(C)CN1;XGDIIZWQGHHVKT-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140859;MM140859;CC1(C)CNC(CN)C1;UNKLMZSWZHDWCN-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140860;MM140860;CC1(C)CNC(CO)C1;DJIQDHXAMYMRRC-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140861;MM140861;CC1(C)CNC(CF)C1;SULGJCGFQOSYCG-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140862;MM140862;CCC1CC(C)(N)CN1;DTZSDRNDWGEJSO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140863;MM140863;CC1(N)CNC(CN)C1;WQPWQYBQPVOHAG-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140864;MM140864;CC1(N)CNC(CO)C1;CMWIGMIZQICYGG-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140865;MM140865;CC1(N)CNC(CF)C1;ACXMPWNIUDDVPA-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140866;MM140866;CCC1CC(C)(O)CN1;UZUUXVMRMMDTSC-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140867;MM140867;CC1(O)CNC(CN)C1;JYRADTPJLWSGHP-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140868;MM140868;CC1(O)CNC(CO)C1;GXWFYAHZWCNPNV-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140869;MM140869;CC1(O)CNC(CF)C1;DMGYJEXKOWWDNE-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140870;MM140870;CCC1CC(C)(F)CN1;FRRGNEIAQSKQRA-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140871;MM140871;CC1(F)CNC(CN)C1;IUPRERUEOLZGTP-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140872;MM140872;CC1(F)CNC(CO)C1;PYBWIKZKRDGYPN-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140873;MM140873;NCC1CC(F)(F)CN1;BXKKASJUKPGCNR-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140874;MM140874;CCC1CC(C)(C)CO1;PSTMXCPADCEFEI-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140875;MM140875;CC1(C)COC(CN)C1;FGMROLGKGHSPFK-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140876;MM140876;CCC1CC(C)(N)CO1;SUKFULFYNZYENK-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140877;MM140877;CC1(N)COC(CO)C1;AMVJQXNPMAPXRE-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140878;MM140878;CC1(N)COC(CF)C1;OWLCTROWBJEKBF-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140879;MM140879;CCC1CC(C)(O)CO1;FLFMIDYASFSEFW-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140880;MM140880;CC1(O)COC(CN)C1;SLCBCUGIEQTNBK-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140881;MM140881;CC1(O)COC(CO)C1;CPZLQEGNUGXHBV-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140882;MM140882;CCC1CC(C)(F)CO1;FQDZNIQVTCIPJR-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140883;MM140883;CC1(F)COC(CN)C1;FTQRWKAWAGFJAT-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140884;MM140884;NCC1CC(F)(F)CO1;RCJPAVRVGWPQNL-UHFFFAOYSA-N;137.13;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140885;MM140885;COC1CC(C)(O)CO1;NSUUGJSKGPAEBE-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140886;MM140886;CCC1CNC(C)(C)C1;LYQLVLLZPJXKDO-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140887;MM140887;CC1(C)CC(CN)CN1;IOXUTQREQLRSGP-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140888;MM140888;CC1(C)CC(CO)CN1;JMLPZBGYYFXYBO-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140889;MM140889;CC1(C)CC(CF)CN1;LUJQTPBFIPMWHJ-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140890;MM140890;CNC1CNC(C)(C)C1;HMPOWYLQEMGCSU-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140891;MM140891;COC1CNC(C)(C)C1;AXOQOHRFQWDGOK-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140892;MM140892;CCC1COC(C)(C)C1;JCKYBCBFJLKVFV-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140893;MM140893;CC1(C)CC(CN)CO1;UGPCKAQIDRPZDB-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140894;MM140894;CC1(C)CC(CO)CO1;CNVRALIOWLIHEP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140895;MM140895;CC1(C)CC(CF)CO1;LWXMXRMKDFOMEQ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140896;MM140896;CNC1COC(C)(C)C1;VFFRVUCNGHQZMN-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140897;MM140897;COC1COC(C)(C)C1;UPBIZPDHIDGZOR-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140898;MM140898;CCC1CCC(C)(C)N1;ZOROQMBIJJNPKM-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140899;MM140899;CC1(C)CCC(CN)N1;ZPGULFGGZDHRED-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140900;MM140900;CC1(C)CCC(CO)N1;VOQKLHVOCZHBOV-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140901;MM140901;CC1(C)CCC(CF)N1;YUHDCEDSLQNKKY-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140902;MM140902;CCC1CCC(C)(C)O1;WYHRSYFTUYLBEV-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140903;MM140903;CC1(C)CCC(CN)O1;DSYSNXJLIPLUNU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140904;MM140904;CC1(C)CCC(CO)O1;UUEPGNZTCLQDEJ-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140905;MM140905;CC1(C)CCC(CF)O1;LWTKJFPQUKKLDW-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140906;MM140906;COC1CCC(C)(C)O1;WWALRPLQVQFAER-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140907;MM140907;CCC1OCC(C)(C)O1;RQZCPFBTIRWPRT-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140908;MM140908;CCC1COC(C)(C)O1;LMERDWJSLPPMRK-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140909;MM140909;CC1(C)OCC(CN)O1;HXOYWCSTHVTLOW-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140910;MM140910;CC1(C)OCC(CO)O1;RNVYQYLELCKWAN-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140911;MM140911;COC1COC(C)(C)O1;WEKKPONNRXFRSD-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140912;MM140912;CCN1CCC(C)(C)C1;ZMTQRPWDQTWSGL-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140913;MM140913;CCN1CCC(C)(N)C1;HPCXUANXVSBQHO-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140914;MM140914;CCN1CCC(C)(O)C1;SDDMEXPMJLIBOO-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140915;MM140915;CCN1CCC(C)(F)C1;ZPFODRQRMKGRIN-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140916;MM140916;CCN1CCC(F)(F)C1;OXXACHGJWHILSR-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140917;MM140917;C=CC1CCC(C)(C)C1;ALGHNZVSYNZQBI-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140918;MM140918;CC1(C)CCC(C=O)C1;AVOPMXMZEVBLIV-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140919;MM140919;CC1(C)CCC(C#N)C1;WTKDBKTUOXTJQH-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140920;MM140920;C=CC1CCC(C)(N)C1;SVUNFDXORWVXST-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140921;MM140921;CCC=CC(C)=NO;VTPRXQQZCBSALF-UHFFFAOYSA-N;113.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140922;MM140922;CC1(O)CCC(C=O)C1;XFFQBVLSDIHKOU-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140923;MM140923;CC1(O)CCC(C#N)C1;JDZNBUMUAPGAAZ-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140924;MM140924;C=CC1CCC(C)(F)C1;PLKPSSXWZBHDNN-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140925;MM140925;CC1(F)CCC(C=O)C1;CFHCGFNGWDOPTB-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140926;MM140926;CC1(F)CCC(C#N)C1;SYENLWWFMDJLFQ-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140927;MM140927;C=CC1CCC(F)(F)C1;CEEQAKPSBOTTJQ-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140928;MM140928;O=CC1CCC(F)(F)C1;AHLQCSUZPCONHF-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140929;MM140929;N#CC1CCC(F)(F)C1;STKFQATVJLFZCG-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140930;MM140930;C=CC1CC(C)(C)CN1;UKLOAQYJSBMBON-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140931;MM140931;C=CC1CC(C)(N)CN1;BBRUEIDDLHSYNL-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140932;MM140932;C=CC1CC(C)(O)CN1;QJUAYUDZQCLROP-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140933;MM140933;CC1(O)CNC(C=O)C1;RYAPEUNPOSVTOS-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140934;MM140934;CC=CC=NNC=O;NDDRPJZAEQMKFB-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140935;MM140935;C=CC1CC(C)(F)CN1;ORQOVWDRTOJGBN-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140936;MM140936;CC1(F)CNC(C#N)C1;RXABDNLOAPHIJX-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140937;MM140937;CC(C)=CC=NNC=O;IYJSNOHWNOKMTK-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140938;MM140938;N#CC1CC(F)(F)CN1;WUYQBXHBLXPWNV-UHFFFAOYSA-N;132.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140939;MM140939;C=CC1CC(C)(C)CO1;URBZCLVAMLDUFR-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140940;MM140940;CC1(C)COC(C=O)C1;NDPMNCZNLGUWFC-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140941;MM140941;CC1(C)COC(C#N)C1;NNOHJYBGZZIWRF-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140942;MM140942;C=CC1CC(C)(N)CO1;ORLOSFKPSPQJIH-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140943;MM140943;C=CC1CC(C)(O)CO1;BGLGVCYFSITXDE-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140944;MM140944;CC1(O)COC(C#N)C1;KEBHUOBIVNEGCC-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140945;MM140945;C=CC1CC(C)(F)CO1;PLEVBDXDWAIWIV-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140946;MM140946;CC1(F)COC(C#N)C1;ZVDLVMVWFYLFGT-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140947;MM140947;C=CC1CC(F)(F)CO1;BRLOZWXYWRIGAN-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140948;MM140948;C=CC1CNC(C)(C)C1;PFTHPQCTNCLFDI-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140949;MM140949;CC1(C)CC(C=O)CN1;FZFMZKUCYXCFHP-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140950;MM140950;CC1(C)CC(C#N)CN1;UQJXUECCTYALJU-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140951;MM140951;C=CC1COC(C)(C)C1;KPHRIRDTNCKESG-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140952;MM140952;CC1(C)CC(C=O)CO1;KRSXHUDYZPAVAX-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140953;MM140953;CC1(C)CC(C#N)CO1;RYXXODCATDTJJN-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140954;MM140954;C=CC1CCC(C)(C)N1;HXTCHHHCBDBQSZ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140955;MM140955;CC1(C)CCC(C=O)N1;FTUFOTXNJPECBU-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140956;MM140956;C=CC1CCC(C)(C)O1;BMXWEZZMXWHWMI-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140957;MM140957;CC1(C)CCC(C=O)O1;SNGTYKJWJUMRFZ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140958;MM140958;CC1(C)CCC(C#N)O1;AQAJOKDOTGJKMI-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140959;MM140959;C=CC1OCC(C)(C)O1;GGPZNSMWKMJFLF-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140960;MM140960;CC1(C)COC(C=O)O1;BXWZQMXKWPVBNK-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140961;MM140961;CC1(C)COC(C#N)O1;AHIMWTKQBRLZKY-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140962;MM140962;C=CC1COC(C)(C)O1;SQXNZBLNWGWIHZ-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140963;MM140963;CC1(C)OCC(C=O)O1;YSGPYVWACGYQDJ-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140964;MM140964;CC1(C)OCC(C#N)O1;CMQXORVSBBIBLZ-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140965;MM140965;CC1(C)CCN(C=N)C1;DTKAGCAERWTVCJ-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140966;MM140966;CC1(C)CCN(C=O)C1;UJEDCNNOBOCUMV-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140967;MM140967;CC1(N)CCN(C=N)C1;CWTFRZWDAHUOKR-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140968;MM140968;CC1(N)CCN(C=O)C1;WFYSHIPMQWTBLW-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140969;MM140969;CC1(O)CCN(C=N)C1;POUWMPUXSCXAJX-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140970;MM140970;CC1(O)CCN(C=O)C1;KPQKMOIIDWNTMN-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140971;MM140971;CC1(F)CCN(C=N)C1;SFRPCUHDIZOUJN-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140972;MM140972;CC1(F)CCN(C=O)C1;CLBJKCGTYSXBBY-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140973;MM140973;N=CN1CCC(F)(F)C1;NAHRIAIVAGVBFW-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140974;MM140974;O=CN1CCC(F)(F)C1;YCUPJMVPTQEKTH-UHFFFAOYSA-N;135.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140975;MM140975;C=NN1CCC(C)(C)C1;KUQXOMZSAGBBFK-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140976;MM140976;C=NN1CCC(C)(N)C1;WLWNVZKBWOETFK-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140977;MM140977;C=CN(C=NO)CCC;IARAOLWVVXAKSD-UHFFFAOYSA-N;128.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140978;MM140978;C=NN1CCC(C)(F)C1;GXOOUQYTKFRRCY-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140979;MM140979;C=NN1CCC(F)(F)C1;JNDLRIJPZOJRKQ-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140980;MM140980;CC1(C)CNN(C=N)C1;KONQQKZECLXPKG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140981;MM140981;CC1(C)CNN(C=O)C1;FEJOMDPDCNIPJG-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140982;MM140982;CC1(N)CNN(C=N)C1;TXAZLESSXABLCO-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140983;MM140983;CC1(N)CNN(C=O)C1;WYAARIAJMWAFAP-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140984;MM140984;CC1(O)CNN(C=N)C1;RJMGMZPUZZAGLE-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140985;MM140985;CCN(C=NO)N(C)C;FECWPFXDSYJYLC-UHFFFAOYSA-N;131.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140986;MM140986;CC1(F)CNN(C=N)C1;AORUROVKROJGJF-UHFFFAOYSA-N;131.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140987;MM140987;CC1(F)CNN(C=O)C1;NHCGZKPHYWJSSR-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140988;MM140988;O=CN1CC(F)(F)CN1;DWUCSGZTBHNPSY-UHFFFAOYSA-N;136.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140989;MM140989;CC1(C)CON(C=O)C1;DDLUTORLPNMUAV-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140990;MM140990;CC1(N)CON(C=O)C1;IDFXFNWGWCFCMV-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140991;MM140991;CC1(O)CON(C=O)C1;KPXYLSZDHPGWRA-UHFFFAOYSA-N;131.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140992;MM140992;CC1(F)CON(C=O)C1;URUSIQWHHUSRGN-UHFFFAOYSA-N;133.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140993;MM140993;O=CN1CC(F)(F)CO1;XWSITVCYZJIXIS-UHFFFAOYSA-N;137.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140994;MM140994;CC1(C)CCN(C=N)N1;QWLAGZMFSMUPLE-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140995;MM140995;CC1(C)CCN(C=O)N1;XSRRBUWARNNMDJ-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140996;MM140996;CC1(C)CCN(C=O)O1;GLOCPZDAOWWSRY-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140997;MM140997;C#CC1CCC(C)(C)C1;CXUZOKKDLIBATD-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140998;MM140998;C#CC1CCC(C)(N)C1;AVONQVNLCMCLCD-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM140999;MM140999;N=CNc1cn(O)cn1;ASFDXXAORRCYMD-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141000;MM141000;C#CC1CCC(C)(F)C1;XBYPUKLHJZWZLB-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141001;MM141001;C#CC1CCC(F)(F)C1;WNKMZJLDOMTVLW-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141002;MM141002;C#CC1CC(C)(C)CN1;UIGOKQIKKUASMG-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141003;MM141003;C#CC1CC(C)(N)CN1;FDCRKJVLDXDKOV-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141004;MM141004;C#CC1CC(C)(O)CN1;IIPVDTLROIANPJ-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141005;MM141005;C#CC1CC(C)(F)CN1;LUBVPGQFJGAOPA-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141006;MM141006;C#CC1CC(C)(C)CO1;UHAXOHCOMBPSAQ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141007;MM141007;C#CC1CC(C)(N)CO1;TZWIVQGVJQMTNY-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141008;MM141008;C#CC1CC(C)(O)CO1;NKJOKMJCTRDPIG-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141009;MM141009;C#CC1CC(C)(F)CO1;MBAUHMLPPAKTTC-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141010;MM141010;C#CC1CC(F)(F)CO1;MXSREOYPHGUZSO-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141011;MM141011;C#CC1CNC(C)(C)C1;XKUBNRJQBGVJJX-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141012;MM141012;C#CC1COC(C)(C)C1;DQIUYEYTCZWXNT-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141013;MM141013;C#CC1CCC(C)(C)N1;SQEUICMLFVQOHF-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141014;MM141014;C#CC1CCC(C)(C)O1;OOAPHEJYJDPNOX-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141015;MM141015;C#CC1OCC(C)(C)O1;HTCXOEPTRMOLNS-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141016;MM141016;C#CC1COC(C)(C)O1;GPNBPQQQZHDRMZ-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141017;MM141017;CC=C1CCC(C)(C)C1;FZDODTKDKOFBGH-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141018;MM141018;CC1(C)CCC(=CF)C1;IDJBXIXXQOQRBW-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141019;MM141019;CC=C1CCC(C)(N)C1;NGZVCAXLPXLPSU-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141020;MM141020;CC1(N)CCC(=CF)C1;WINVUEXJJPJMEG-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141021;MM141021;NN=c1on(N)cc1O;BXUSEXYPRSYCOA-UHFFFAOYSA-N;130.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141022;MM141022;CC1(O)CCC(=CF)C1;ZTZKQVGXNKTGKF-UHFFFAOYSA-N;130.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141023;MM141023;CC=C1CCC(C)(F)C1;RPDAYKKGICOZOW-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141024;MM141024;CC1(F)CCC(=CF)C1;LHXSNPKAVITOMB-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141025;MM141025;CC=C1CCC(F)(F)C1;OOCPCJVQDRQHIC-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141026;MM141026;FC=C1CCC(F)(F)C1;ONQKLUFATUWGMM-UHFFFAOYSA-N;136.12;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141027;MM141027;CC1(C)CCC(=NN)C1;ZATGLAGOEHKNOQ-UHFFFAOYSA-N;126.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141028;MM141028;CC1(C)CCC(=NO)C1;SGPYVVFPMGNZGT-UHFFFAOYSA-N;127.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141029;MM141029;CC1(N)CCC(=NO)C1;YYEFSCXTILHZLS-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141030;MM141030;NNC(=NO)NC=CF;CYWRUPIYJBWDIH-UHFFFAOYSA-N;134.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141031;MM141031;CC1(O)CCC(=NO)C1;WTZOJJWPSDWRCQ-UHFFFAOYSA-N;129.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141032;MM141032;CC1(F)CCC(=NN)C1;KMEBMVQJPGZVHM-UHFFFAOYSA-N;130.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141033;MM141033;CC1(F)CCC(=NO)C1;YAKHSQBCTLGXEP-UHFFFAOYSA-N;131.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141034;MM141034;NN=C1CCC(F)(F)C1;WDZVMTHIKWDJFN-UHFFFAOYSA-N;134.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141035;MM141035;ON=C1CCC(F)(F)C1;MFFYZPZZMMUMIY-UHFFFAOYSA-N;135.11;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141036;MM141036;CN=C1CC(C)(C)CN1;UUVXHTPOIZBRGW-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141037;MM141037;CC1(C)CN=C(NN)C1;VOXMXAZFIOYASY-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141038;MM141038;CC1(C)CN=C(NO)C1;IAMJOHSGWBRQRH-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141039;MM141039;CN=C1CC(C)(N)CN1;QRRALBQWGXGBSW-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141040;MM141040;CN=C1CC(C)(O)CN1;FBZAXOSQBVTQCT-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141041;MM141041;CC1(O)CN=C(NN)C1;ANGDKLSSCPOQIW-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141042;MM141042;CN=C1CC(C)(F)CN1;JPCRZYIDDUNINN-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141043;MM141043;CC1(F)CN=C(NN)C1;AUWMODGIEKGWNU-UHFFFAOYSA-N;131.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141044;MM141044;CN=C1CC(F)(F)CN1;SINXCMVHYVYADD-UHFFFAOYSA-N;134.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141045;MM141045;ON=C1CC(F)(F)CN1;JGVWLSBYHANODH-UHFFFAOYSA-N;136.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141046;MM141046;CC=C1CC(C)(C)CO1;VUWXORPUPWMZFA-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141047;MM141047;CC1(C)COC(=CF)C1;PCUPIQMNIOWTQY-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141048;MM141048;CC=C1CC(C)(N)CO1;NNOLDDGORQMIHI-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141049;MM141049;CC1(N)COC(=CF)C1;DYEWBCLNNDBLHU-UHFFFAOYSA-N;131.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141050;MM141050;CC=C1CC(C)(O)CO1;FEUQKIHJDMUUFH-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141051;MM141051;CC1(O)COC(=CF)C1;AJDPWWOBDIDWTC-UHFFFAOYSA-N;132.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141052;MM141052;CC=C1CC(C)(F)CO1;GMXBRBVDXBDFJZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141053;MM141053;CC=C1CC(F)(F)CO1;IHXDVOSDHKQCKY-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141054;MM141054;CCC=CC=NNC=O;KUKFNVBLTBTTOR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141055;MM141055;CC1(C)COC(=NO)C1;QVAFZSKYTXLFAW-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141056;MM141056;CC1(N)COC(=NO)C1;ITZOPQHASJYZNS-UHFFFAOYSA-N;130.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141057;MM141057;C=CC=CC=NNC=O;VMWLAPQQNNETTK-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141058;MM141058;CC1(O)COC(=NO)C1;AWVIQLYINLGMDW-UHFFFAOYSA-N;131.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141059;MM141059;C=C(C)CCN(N)C=NO;LIVKLNLRYUTYKF-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141060;MM141060;CC1(F)COC(=NO)C1;OAXNHTZPBQIRHP-UHFFFAOYSA-N;133.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141061;MM141061;CC(=N)N=C(N)C(=O)NN;AFMICJIDIIRPGJ-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141062;MM141062;CC=C1CNC(C)(C)C1;JOJVHJCRVVEXPM-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141063;MM141063;CC1(C)CC(=CF)CN1;DATRLSYGMHTKRJ-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141064;MM141064;CC1(C)CC(=NN)CN1;DTBZDWXVHKSRAF-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141065;MM141065;CC1(C)CC(=NO)CN1;LADZQOKZSMANEY-UHFFFAOYSA-N;128.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141066;MM141066;CN=C1CC(C)(C)NN1;BDWVJYFULJHTPA-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141067;MM141067;N#CCCCNNC(N)=O;KAWGFSTZNOLJEU-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141068;MM141068;CC=C1COC(C)(C)C1;RZQXOOYHXSLIEE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141069;MM141069;CC1(C)CC(=CF)CO1;LOERIPDSHMELIU-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141070;MM141070;CC1(C)CC(=NN)CO1;URVQFDBALDPKPC-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141071;MM141071;CC1(C)CC(=NO)CO1;MZOOLVODHCCUSM-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141072;MM141072;CC(C)C=CC=NNC=O;OLPSSVWWSAJPHT-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141073;MM141073;CN(C)C=CC=NNC=O;YARZOCSHEGCJNJ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141074;MM141074;CN=C1CCC(C)(C)N1;JAVDVWOOOXYRRG-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141075;MM141075;CC1(C)CCC(=NN)N1;CEQOUPYKGITCMY-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141076;MM141076;C=C(C)C=CC=NNC=O;NAXCEOYMBSXLPN-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141077;MM141077;CN=C1NCC(C)(C)N1;SCUDSWPTSIXJEK-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141078;MM141078;CC1(C)CNC(=NN)N1;WWLQDQZDYLAWEN-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141079;MM141079;C=C(CC=O)CNC=NO;DBZSQUANNBGRDK-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141080;MM141080;CC1(C)COC(=NO)N1;VOTIWWHERHYCIG-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141081;MM141081;CC=C1CCC(C)(C)O1;GABBGMRRKDRXNK-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141082;MM141082;CC1(C)CCC(=CF)O1;LMRYICNREFBUNA-UHFFFAOYSA-N;130.16;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141083;MM141083;C=CCCCN(N)C=NO;LZMQYFQPHIOWJO-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141084;MM141084;CC1(C)CCC(=NO)O1;YBRDHXKEGFXVCL-UHFFFAOYSA-N;129.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141085;MM141085;C=C(C)N(C=NO)C(C)C;HAUAGWQDLRUXMI-UHFFFAOYSA-N;142.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141086;MM141086;CC1(C)CNC(=NO)O1;OFDMXIHXAYQJKS-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141087;MM141087;C=NNC1=NC(C)=C(C)C1;QBLCDKIMHCCUHZ-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141088;MM141088;CC1(C)COC(=NO)O1;DVOXALLDCWCXDC-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141089;MM141089;CC=C1COC(C)(C)O1;WSLWWUQYSUKHIH-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141090;MM141090;CC1(C)OCC(=CF)O1;DNPZCVOQDYTPGM-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141091;MM141091;CC1(C)OCC(=NO)O1;UWGMERJYXOXUOQ-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141092;MM141092;CN=C1NOC(C)(C)O1;XIJFZZUZCYIYNX-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141093;MM141093;CC(=NO)NCC(O)CO;NLMNIYMEXSUCMU-UHFFFAOYSA-N;148.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141094;MM141094;CCC1C=CC(C)(C)C1;BMMBJVINCJLECJ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141095;MM141095;CC1(C)C=CC(CN)C1;DWUBMCHSPVPNIL-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141096;MM141096;CCOCC(O)C(=O)NN;POAVKLCZGRKURP-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141097;MM141097;CCC1C=CC(C)(N)C1;ZJYKOOVOPWIJEZ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141098;MM141098;CC1(N)C=CC(CN)C1;HROSBHUQESLRAH-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141099;MM141099;CC1(N)C=CC(CO)C1;JWWZXBXEROVVOQ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141100;MM141100;CC1(N)C=CC(CF)C1;RCKPXCJZDKQYJN-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141101;MM141101;CN=CN=C(N)C(=O)NN;GDTSAJLERXAETD-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141102;MM141102;CC1(O)C=CC(CN)C1;GBMUUASDCQQPTN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141103;MM141103;CC1(O)C=CC(CO)C1;RVKZERCWEQEDSI-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141104;MM141104;CC1(O)C=CC(CF)C1;OBHVJCRQHSSFFP-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141105;MM141105;CCC1C=CC(C)(F)C1;BCGUCSRGHJJEOC-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141106;MM141106;CC1(F)C=CC(CN)C1;BXLNDYKEQWHXSK-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141107;MM141107;CC1(F)C=CC(CO)C1;RTPXSPQWHAPWOU-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141108;MM141108;CCC1C=CC(F)(F)C1;QVUFUQIDLTVQPB-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141109;MM141109;NCC1C=CC(F)(F)C1;WZYFKXJELGHPIR-UHFFFAOYSA-N;133.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141110;MM141110;OCC1C=CC(F)(F)C1;KVZUOVZWCSJKQX-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141111;MM141111;CNC1C=CC(C)(C)C1;ZZFCSEHDCWDUOZ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141112;MM141112;CNC1C=CC(C)(N)C1;XLUADIBJNOYWHL-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141113;MM141113;CNC1C=CC(C)(O)C1;WCTQZFZRIFZCFS-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141114;MM141114;CNC1C=CC(C)(F)C1;CLEIVLNMQCDUQH-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141115;MM141115;CNC1C=CC(F)(F)C1;JODLKYMUNGLMMX-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141116;MM141116;COC1C=CC(C)(C)C1;JKEQCXMNSGEDJQ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141117;MM141117;COC1C=CC(C)(N)C1;DLVGGCPHEDKXCL-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141118;MM141118;COC1C=CC(C)(O)C1;KIGWLIMJHUWTBL-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141119;MM141119;COC1C=CC(C)(F)C1;HCCPVYQYEUKESW-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141120;MM141120;CCC1C=CC(C)(C)N1;UDWSFDLBWTZKTC-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141121;MM141121;CC1(C)C=CC(CN)N1;HDBKTTYGQJEQKC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141122;MM141122;CC1(C)C=CC(CO)N1;QGERKGVJHZHVAI-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141123;MM141123;CC1(C)C=CC(CF)N1;LUGXGJUANMZNPH-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141124;MM141124;CCC1C=CC(C)(C)O1;WJOOUGRISGCZEM-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141125;MM141125;CC1(C)C=CC(CN)O1;RIXQBAXEUOEGKE-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141126;MM141126;CC1(C)C=CC(CO)O1;WPJMBNKGBDJJMI-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141127;MM141127;CC1(C)C=CC(CF)O1;OYINDYJREMGQIT-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141128;MM141128;COC1C=CC(C)(C)O1;WTQLJVXUIQIQQE-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141129;MM141129;CCN1CC(C)(C)C=N1;BNNYNFPOHLKJCG-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141130;MM141130;C=C(C#CCO)C(=O)NN;DTSFOWZPGDLPQV-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141131;MM141131;CCN1CC(C)(F)C=N1;TZVMKULLEHEOMB-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141132;MM141132;CCN1CC(F)(F)C=N1;NZZDXBUPBOESRV-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141133;MM141133;CCN1C=NC(C)(C)C1;RRYXWWDDZZNNTJ-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141134;MM141134;CON1C=NC(C)(C)C1;QQLGYLHNIOXBHH-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141135;MM141135;C=CC1C=CC(C)(C)C1;VHYWMJXYGPIYKV-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141136;MM141136;CC1(C)C=CC(C=O)C1;MAGBMYKLVVBPCL-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141137;MM141137;CC1(C)C=CC(C#N)C1;GRUMBLYWJHUFEH-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141138;MM141138;C=CC1C=CC(C)(N)C1;LDJIBEXDXJWCNX-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141139;MM141139;C=NOCOCC(=O)NN;DQHAFEOXQGHHSL-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141140;MM141140;CC1(O)C=CC(C=O)C1;IFWSLRSIFPGNEY-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141141;MM141141;CC1(O)C=CC(C#N)C1;BLZKCWUECZECHB-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141142;MM141142;C=CC1C=CC(C)(F)C1;HGAWCRBTGASVHD-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141143;MM141143;CC1(F)C=CC(C=O)C1;UTGJMPSPQAZHIK-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141144;MM141144;CC1(F)C=CC(C#N)C1;UYAXLMAGFVHHOM-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141145;MM141145;C=CC1C=CC(F)(F)C1;BKTAEMPYQJTUST-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141146;MM141146;O=CC1C=CC(F)(F)C1;RCIACDHJXOVAOQ-UHFFFAOYSA-N;132.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141147;MM141147;N#CC1C=CC(F)(F)C1;JIPNTYNEVPBCCD-UHFFFAOYSA-N;129.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141148;MM141148;C=CC1C=CC(C)(C)N1;UXZZDBWWAKPXNF-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141149;MM141149;CC1(C)C=CC(C=O)N1;TUNITUXDSWXSHV-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141150;MM141150;CC1(C)C=CC(C#N)N1;SXGWRHXAIGXEKS-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141151;MM141151;C=CC1C=CC(C)(C)O1;SPBVRYAFJWODNC-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141152;MM141152;CC1(C)C=CC(C=O)O1;DMRVNWUWASFMLY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141153;MM141153;CC1(C)C=CC(C#N)O1;AJFJKFSYLTVUOP-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141154;MM141154;CC1(C)C=CN(C=N)C1;LMSIDBWNPDMCDI-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141155;MM141155;CC1(C)C=CN(C=O)C1;ZWHSWTBDGUFOOB-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141156;MM141156;CC1(N)C=CN(C=N)C1;ZXQHBGDSJIVLTJ-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141157;MM141157;CC1(N)C=CN(C=O)C1;OOMTXXXRGRTAIA-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141158;MM141158;CC1(O)C=CN(C=N)C1;AWLZIEBBMCSDPU-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141159;MM141159;CC1(O)C=CN(C=O)C1;VVSSNPODZSCGHS-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141160;MM141160;CC1(F)C=CN(C=N)C1;DEBIMJQQJDKGDS-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141161;MM141161;N=CN1C=CC(F)(F)C1;XIOOWMDTXWERTG-UHFFFAOYSA-N;132.11;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141162;MM141162;O=CN1C=CC(F)(F)C1;ICKQBYHIXVGVEQ-UHFFFAOYSA-N;133.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141163;MM141163;CC1(C)C=NN(C=N)C1;HXADUHIPCQLEBN-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141164;MM141164;CC1(C)C=NN(C=O)C1;IGEQIFVXJXTIHR-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141165;MM141165;C=CC(=C)CNNC=NO;DULJGCSVQWMNSC-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141166;MM141166;CC1(O)C=NN(C=O)C1;CSJVJXCGKBMBMB-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141167;MM141167;CC1(F)C=NN(C=N)C1;JVYINJKFULXLEK-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141168;MM141168;CC1(F)C=NN(C=O)C1;JZAXVGKDYDGHEA-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141169;MM141169;N=CN1CC(F)(F)C=N1;WRGLJVQWSYGKBK-UHFFFAOYSA-N;133.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141170;MM141170;O=CN1CC(F)(F)C=N1;ANFXQCLSXZSZCC-UHFFFAOYSA-N;134.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141171;MM141171;C=CN1C=NC(C)(C)C1;KYDAKMFHSRCCHW-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141172;MM141172;C=NN1C=NC(C)(C)C1;MNYBLSFSNQUMFL-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141173;MM141173;CC1(C)C=CN(C=N)N1;KOCWYVUBFWJMPQ-UHFFFAOYSA-N;125.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141174;MM141174;CC1(C)C=CN(C=O)N1;ZGQCKOIBERNTGY-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141175;MM141175;CC1(C)C=CN(C=O)O1;CCUVIRVWDHVHGU-UHFFFAOYSA-N;127.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141176;MM141176;C#CC1C=CC(C)(C)C1;BFBXGJQTTKHLOB-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141177;MM141177;C#CC1C=CC(C)(N)C1;PYFMQIFYRQYETK-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141178;MM141178;CCC(C)=CC=NNC=O;IMYLCIIPRODFJN-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141179;MM141179;C#CC1C=CC(C)(F)C1;LPSOYYAKBIHKSG-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141180;MM141180;C#CC1C=CC(F)(F)C1;UQSKYSAHEHCHRL-UHFFFAOYSA-N;128.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141181;MM141181;C#CC1C=CC(C)(C)N1;BKRIMFNTSTURGY-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141182;MM141182;C#CC1C=CC(C)(C)O1;OAQVPFHJVCYMGI-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141183;MM141183;CC=C1C=CC(C)(C)C1;FATYNTJZCSLNTN-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141184;MM141184;CC1(C)C=CC(=CF)C1;FMPZWRKXYPETQU-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141185;MM141185;CC=C1C=CC(C)(N)C1;YXKAFKWKXGVRFK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141186;MM141186;CC1(N)C=CC(=CF)C1;GFUQNAQDABFTFG-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141187;MM141187;CCC(N)=CC=NNC=O;YHWSJTJTCANXED-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141188;MM141188;CC1(O)C=CC(=CF)C1;HCKCFFYTZQSYLK-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141189;MM141189;CC=C1C=CC(C)(F)C1;QNBGGWBMRSOEPX-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141190;MM141190;CC1(F)C=CC(=CF)C1;WJSDUNGMFHAEDN-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141191;MM141191;CC=C1C=CC(F)(F)C1;ZUXQQJFHEZMNNE-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141192;MM141192;FC=C1C=CC(F)(F)C1;OCXPRBKEFPWJKV-UHFFFAOYSA-N;134.1;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141193;MM141193;CC1(C)C=CC(=NN)C1;NOTMOFYDOLQMKI-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141194;MM141194;C=CC(C)=CC=NNC=O;JATHPGFKYVAIBT-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141195;MM141195;CC1(N)C=CC(=NO)C1;JYYDITVCMUEHGR-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141196;MM141196;C=CNC(=NO)N(C)C=O;FVTIRLWNJGSIAA-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141197;MM141197;CC1(O)C=CC(=NO)C1;RBSUKJZTZNLNFK-UHFFFAOYSA-N;127.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141198;MM141198;CC1(F)C=CC(=NN)C1;VMXWSFZTRZSCMZ-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141199;MM141199;CC1(F)C=CC(=NO)C1;NQMBUKJGMXURJB-UHFFFAOYSA-N;129.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141200;MM141200;NN=C1C=CC(F)(F)C1;DVLXNFWEBHDSBG-UHFFFAOYSA-N;132.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141201;MM141201;ON=C1C=CC(F)(F)C1;IEEKTQHEKDUMSL-UHFFFAOYSA-N;133.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141202;MM141202;CN=C1C=CC(C)(C)N1;OWHBVBUUSRRFPP-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141203;MM141203;CC1(C)C=CC(NN)=N1;LMOWFKZXNNOIBK-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141204;MM141204;CC=C1C=CC(C)(C)O1;UOQRGVBQNNSCJH-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141205;MM141205;CC1(C)C=CC(=CF)O1;BYPWLWOZJLKUSB-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141206;MM141206;N#Cc1nc(NC=N)c[nH]1;IJSCTEBYZDERLT-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141207;MM141207;CC1(C)C=CC(=NO)O1;QAKPVFURAHLDAA-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141208;MM141208;CCC1=CCC(C)(C)C1;PMGCTFZDHQFIJT-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141209;MM141209;CC1(C)CC=C(CN)C1;SFKOFOMQNKFDOA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141210;MM141210;CC1(C)CC=C(CO)C1;LBQZLUNNHYBBEG-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141211;MM141211;CC1(C)CC=C(CF)C1;ZJTMPACPTDPGIM-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141212;MM141212;CCC1=CCC(C)(N)C1;JGJBNGFNYQKBAD-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141213;MM141213;CC1(N)CC=C(CN)C1;WYZUCWRLLNGPRV-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141214;MM141214;CC1(N)CC=C(CO)C1;SKHCRGRGNLKZLE-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141215;MM141215;CC1(N)CC=C(CF)C1;VHOKQCPULJVCPB-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141216;MM141216;C=CCC=CC=NNC=O;RFQSLKDQFUXGRD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141217;MM141217;CC1(O)CC=C(CN)C1;SCELFAOXABGMSH-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141218;MM141218;CC1(O)CC=C(CO)C1;IMCIOHVWYPUATN-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141219;MM141219;CC1(O)CC=C(CF)C1;VCLGEDDBBKSFIE-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141220;MM141220;CCC1=CCC(C)(F)C1;XALNBLNWOHCALN-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141221;MM141221;CC1(F)CC=C(CN)C1;SZRGIBWEMMXNEC-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141222;MM141222;CC1(F)CC=C(CO)C1;IMPVBZWVLUBUHP-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141223;MM141223;CC1(F)CC=C(CF)C1;RMNZCDQRKJWRLP-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141224;MM141224;CCC1=CCC(F)(F)C1;GGAXEDRYLUPLRZ-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141225;MM141225;NCC1=CCC(F)(F)C1;USLZAGBZLPZQLE-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141226;MM141226;OCC1=CCC(F)(F)C1;VAYCCNKAAKMHSI-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141227;MM141227;FCC1=CCC(F)(F)C1;DQHOYNRAHNRXFX-UHFFFAOYSA-N;136.12;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141228;MM141228;COC1=CCC(C)(C)C1;CNWGJTJSAQJMTG-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141229;MM141229;COC1=CCC(C)(N)C1;KXVUYWNARYXSGY-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141230;MM141230;COC1=CCC(C)(O)C1;USKAZXZBXKMYMP-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141231;MM141231;COC1=CCC(C)(F)C1;DGZJJCLFTSBHBZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141232;MM141232;COC1=CCC(F)(F)C1;JCWQGWDVDRUBMD-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141233;MM141233;CCC1=NNC(C)(C)C1;AJQPHGZIEJDTEP-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141234;MM141234;C=C(C#CCC#N)C1CN1;AVLFGPDVVPQPEC-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141235;MM141235;CC1(C)CC(CF)=NN1;HXPIDPQEXKYMJG-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141236;MM141236;C=CC(=C)NC(C)=NO;YNZCHHZGFFCQIG-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141237;MM141237;CCC1=COC(C)(C)C1;XFDMAKFOQDMQBH-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141238;MM141238;CC1(C)CC(CN)=CO1;MJAPSPZBSJYVPB-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141239;MM141239;CC1(C)CC(CO)=CO1;UAAPQTIGGVNMKG-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141240;MM141240;CC1(C)CC(CF)=CO1;YCFZRTYZPNIVLK-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141241;MM141241;COC1=COC(C)(C)C1;YFJIRKGTJSGZOB-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141242;MM141242;CCC1=NOC(C)(C)C1;AWCSZMCGZWMNBD-UHFFFAOYSA-N;127.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141243;MM141243;CC1(C)CC(CN)=NO1;JBFDQWSJHZEMIB-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141244;MM141244;CC(C=CC(C)C)=NO;OYHHYLJKCDHJNE-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141245;MM141245;CC1(C)CC(CF)=NO1;GZHWPKZETWULJV-UHFFFAOYSA-N;131.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141246;MM141246;CC1(C)CC(=NO)NO1;JDCKJYNKVODUBD-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141247;MM141247;COC1=NOC(C)(C)C1;QDHBQTMXNHAOHO-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141248;MM141248;CCC1=NC(C)(C)CN1;OIWRDWSSCHEIMA-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141249;MM141249;CC1(C)CN=C(CN)N1;IRPUWMOUXWYBCL-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141250;MM141250;CC1(C)CN=C(CF)N1;VUCMFLQHPHHXPI-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141251;MM141251;CNC1=NCC(C)(C)N1;SCUDSWPTSIXJEK-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141252;MM141252;CC1(C)CN=C(NN)N1;WWLQDQZDYLAWEN-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141253;MM141253;CC1(C)CN=C(NO)N1;UYOYWXVWGSXWND-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141254;MM141254;CCC1=CCC(C)(C)O1;GCTILSDWZHKLGB-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141255;MM141255;CC1(C)CC=C(CN)O1;QVTBDWQKXGJBOO-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141256;MM141256;CC1(C)CC=C(CO)O1;OSVJJZUCCNIHJD-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141257;MM141257;CC1(C)CC=C(CF)O1;VJSQTMCJSGFJAU-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141258;MM141258;C=NOCC(=O)NNC;MYJKURLSPQZMRT-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141259;MM141259;CCC1=COC(C)(C)O1;KMMIPOIOLRJGOO-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141260;MM141260;CC1(C)OC=C(CN)O1;UPELNVDGNRPODA-UHFFFAOYSA-N;129.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141261;MM141261;CC1(C)OC=C(CO)O1;VNWTVKHKDANUMG-UHFFFAOYSA-N;130.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141262;MM141262;CC1(C)OC=C(CF)O1;SPZVVOJOXDRFTE-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141263;MM141263;CCC1=NOC(C)(C)O1;UJFSEQHMWLAQBE-UHFFFAOYSA-N;129.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141264;MM141264;CC1(C)ON=C(CO)O1;IZQJUKPHZGHGJY-UHFFFAOYSA-N;131.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141265;MM141265;CC1(C)ON=C(CF)O1;GLDKTXNUVVXLDP-UHFFFAOYSA-N;133.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141266;MM141266;CNC1=NOC(C)(C)O1;XIJFZZUZCYIYNX-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141267;MM141267;CN(C=NO)CC=NN;SSNDIDUUFXPGOC-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141268;MM141268;C=NN=CC(=O)NNC;JPKBPFASBYHDNQ-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141269;MM141269;COC1=NOC(C)(C)O1;JYIVMBPURFVRGS-UHFFFAOYSA-N;131.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141270;MM141270;C=CC1=CCC(C)(C)C1;IKRQVTQYOFHHRB-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141271;MM141271;CC1(C)CC=C(C=O)C1;BZWUSACBFYCVTN-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141272;MM141272;CC1(C)CC=C(C#N)C1;MTBVZOAMFNVQGY-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141273;MM141273;C=CC1=CCC(C)(N)C1;QHJKXWWWWVFFAF-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141274;MM141274;C=CCC=CNC=NO;SEEDTTQKSYKDFF-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141275;MM141275;CC1(O)CC=C(C=O)C1;MGUCQQFBHKZQCS-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141276;MM141276;CC1(O)CC=C(C#N)C1;HBVNWIDVKFRXBS-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141277;MM141277;C=CC1=CCC(C)(F)C1;FVYQAXQAVJPBSM-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141278;MM141278;CC1(F)CC=C(C=O)C1;SFVKJWWKJYNLGM-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141279;MM141279;CC1(F)CC=C(C#N)C1;JJISAUOUKMNFBB-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141280;MM141280;C=CC1=CCC(F)(F)C1;WOCQUYNXSACIBV-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141281;MM141281;O=CC1=CCC(F)(F)C1;HFMQCPXQCCOMGL-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141282;MM141282;N#CC1=CCC(F)(F)C1;KHRUZLVYKHYZNA-UHFFFAOYSA-N;129.11;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141283;MM141283;CC1(C)CC(C=O)=CN1;UVBQPSRELSBWGR-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141284;MM141284;CC1(C)CC(C#N)=CN1;BCLFLNYWVZSGAD-UHFFFAOYSA-N;122.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141285;MM141285;C=CC1=NNC(C)(C)C1;MRQADBDPOLJUNB-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141286;MM141286;NNC(=O)CC=CC(F)F;NZNMIPDSRCPVKG-UHFFFAOYSA-N;150.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141287;MM141287;NN=CC(O)C(O)C(N)=O;XQZOJQFERURAGY-UHFFFAOYSA-N;147.13;-2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141288;MM141288;C=CC1=COC(C)(C)C1;WHYDFQPMNXRQKI-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141289;MM141289;CC1(C)CC(C=O)=CO1;JIZHTMKBHHDQQS-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141290;MM141290;CC1(C)CC(C#N)=CO1;PFLTVSAPVLACOS-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141291;MM141291;C=CC1=NOC(C)(C)C1;LSJOWAYSTBCSRH-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141292;MM141292;CC1(C)CC(C=O)=NO1;NNNAREWPWWCHLO-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141293;MM141293;CC1(C)CC(C#N)=NO1;ROZMJDQLQFLJOK-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141294;MM141294;C=CC1=NCC(C)(C)N1;BQZMRELRWSOXII-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141295;MM141295;CC1(C)CN=C(C=O)N1;QXPZMUBGOQGEEJ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141296;MM141296;CC1(C)CN=C(C#N)N1;ZBWJKUBWUQMNHQ-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141297;MM141297;C=CC1=CCC(C)(C)O1;DVFCUTJXJKHAEQ-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141298;MM141298;CC1(C)CC=C(C=O)O1;ZZSNNLUVPZLVMO-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141299;MM141299;CC1(C)CC=C(C#N)O1;JPUAWTJVVHGCRD-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141300;MM141300;C=CC1=COC(C)(C)O1;SEFHJWOSPOUAQO-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141301;MM141301;CC1(C)OC=C(C=O)O1;OVOMDXWLKRUXQS-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141302;MM141302;CC1(C)OC=C(C#N)O1;JXFIFXSBXWFCGR-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141303;MM141303;C=CC1=NOC(C)(C)O1;CGMPMOWLDRJLKR-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141304;MM141304;CC1(C)ON=C(C=O)O1;VPCKZHKMYHLPNI-UHFFFAOYSA-N;129.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141305;MM141305;CC1(C)ON=C(C#N)O1;ZIMJRDOYMQYEBZ-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141306;MM141306;C#CC1=CCC(C)(C)C1;ACOHAHXEAAMFOS-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141307;MM141307;C#CC1=CCC(C)(N)C1;MHFNCEZOSAJSEY-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141308;MM141308;CC1(CO)OC1C(=O)NN;OUOOTANRKOAIBB-UHFFFAOYSA-N;146.15;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141309;MM141309;C#CC1=CCC(C)(F)C1;LYHANTRPOZKVEN-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141310;MM141310;C#CC1=CCC(F)(F)C1;HLHMUZWMQSOGPS-UHFFFAOYSA-N;128.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141311;MM141311;C#CC1=NNC(C)(C)C1;CERRKUVYTBTEMA-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141312;MM141312;C#CC1=COC(C)(C)C1;LTNKLTJSNCITDM-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141313;MM141313;C#CC1=NOC(C)(C)C1;FFIHKDHJIOZYBW-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141314;MM141314;C#CC1=CCC(C)(C)O1;JCVIFPBYZBIUBO-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141315;MM141315;C#CC1=COC(C)(C)O1;JHOSVUDMKKNUSN-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141316;MM141316;C#CC1=NOC(C)(C)O1;DPDMEBDBCKZGTM-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141317;MM141317;CCC1=CC(C)(C)CC1;IZSUYSQNFXAGQV-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141318;MM141318;CC1(C)C=C(CN)CC1;YIWPCPMNWNTCDP-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141319;MM141319;CC1(C)C=C(CO)CC1;VWDVCQSGDNCFSG-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141320;MM141320;CC1(C)C=C(CF)CC1;HDFZNFWNABEAOL-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141321;MM141321;CCC1=CC(C)(N)CC1;PXBMGSFGOXBOMY-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141322;MM141322;CC1(N)C=C(CN)CC1;MJOAADRCNSSRHL-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141323;MM141323;CC1(N)C=C(CO)CC1;JCAVABJYJJNNHW-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141324;MM141324;CC1(N)C=C(CF)CC1;OXKOVKBGDCYCBX-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141325;MM141325;NNC(=O)CN(C=O)C=O;FRDPJTRRSLUGKL-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141326;MM141326;CC1(O)C=C(CN)CC1;HZKGHEGRSXWVHW-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141327;MM141327;CC1(O)C=C(CO)CC1;GMJVAYJIQBPWJV-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141328;MM141328;CC1(O)C=C(CF)CC1;UJKUDCGDQSJAQK-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141329;MM141329;CCC1=CC(C)(F)CC1;OGMXLFMPXLGJAX-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141330;MM141330;CC1(F)C=C(CN)CC1;BJPDBIVWEXEOQH-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141331;MM141331;CC1(F)C=C(CO)CC1;RVNHWPJEZBWUDZ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141332;MM141332;CC1(F)C=C(CF)CC1;JAISJGUARJULKB-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141333;MM141333;CCC1=CC(F)(F)CC1;OZFSEUMOUAFRGA-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141334;MM141334;NCC1=CC(F)(F)CC1;COZRQUSZAAKSFO-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141335;MM141335;OCC1=CC(F)(F)CC1;RPUUECQHMQYBFZ-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141336;MM141336;FCC1=CC(F)(F)CC1;NMIZXNKRUQPIPI-UHFFFAOYSA-N;136.12;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141337;MM141337;COC1=CC(C)(C)CC1;QWDDZKZAMVYLCU-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141338;MM141338;COC1=CC(C)(N)CC1;XCQBGPJVRJLZSY-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141339;MM141339;COC1=CC(C)(O)CC1;DCQSYEAHDFVVAB-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141340;MM141340;COC1=CC(C)(F)CC1;LUHRDJHTBXOFDZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141341;MM141341;COC1=CC(F)(F)CC1;ZUVVRJYUSLSMCW-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141342;MM141342;CCC1=CC(C)(C)CO1;NADFHKPFDUYMCT-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141343;MM141343;CC1(C)C=C(CN)OC1;BLHSFKWIEBRJKX-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141344;MM141344;CC1(C)C=C(CO)OC1;DEZVUTSCHJQRFZ-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141345;MM141345;CC1(C)C=C(CF)OC1;GHVIQNKVKIUVKY-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141346;MM141346;CCC1=CC(C)(N)CO1;HRRAQOLVTJXMCY-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141347;MM141347;CC1(N)C=C(CN)OC1;GFSJGQUPGFSCPP-UHFFFAOYSA-N;128.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141348;MM141348;CC1(N)C=C(CO)OC1;WZXFMTYQAOXEIT-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141349;MM141349;CC1(N)C=C(CF)OC1;VFWFZHJSIQVIOR-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141350;MM141350;CCC1=CC(C)(O)CO1;CKQQITXMINJWHA-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141351;MM141351;CC1(O)C=C(CN)OC1;LQJTTWUBRFLUGT-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141352;MM141352;CC1(O)C=C(CO)OC1;LVXPIMIZVYVTOZ-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141353;MM141353;CC1(O)C=C(CF)OC1;XDAUPEVUQBVBTN-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141354;MM141354;CCC1=CC(C)(F)CO1;WEDUNPSBAJFCFZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141355;MM141355;CC1(F)C=C(CN)OC1;XDVDSPNZGCNWPX-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141356;MM141356;CC1(F)C=C(CO)OC1;YLEISXOXTHGBFC-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141357;MM141357;CC1(F)C=C(CF)OC1;VLINWTWDYGZUJR-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141358;MM141358;CCC1=CC(F)(F)CO1;FMIVTJWNENINIP-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141359;MM141359;NCC1=CC(F)(F)CO1;GUMLSQVQIHCQKZ-UHFFFAOYSA-N;135.11;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141360;MM141360;OCC1=CC(F)(F)CO1;MEHXHTTWDONGQY-UHFFFAOYSA-N;136.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141361;MM141361;FCC1=CC(F)(F)CO1;ZQETWJVIXXYZGR-UHFFFAOYSA-N;138.09;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141362;MM141362;CCC1=CC(C)(C)NC1;XWEIWPBBHZPVNF-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141363;MM141363;CC1(C)C=C(CN)CN1;YIVDFGDPKZJENK-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141364;MM141364;CC1(C)C=C(CO)CN1;GFYQQKIQWVNDSR-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141365;MM141365;CC1(C)C=C(CF)CN1;PQJFUUSZRDBWMY-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141366;MM141366;COC1=CC(C)(C)NC1;OXEZIBWXUUIPKA-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141367;MM141367;CCC1=CC(C)(C)OC1;PFGARTZIFPUGET-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141368;MM141368;CC1(C)C=C(CN)CO1;LDHGYNXPMXDLPE-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141369;MM141369;CC1(C)C=C(CO)CO1;ZDCJEDYKFZNBSW-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141370;MM141370;CC1(C)C=C(CF)CO1;XKXMABOCHXGJBZ-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141371;MM141371;COC1=CC(C)(C)OC1;DJCMJCZEASITNU-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141372;MM141372;CNC1=NC(C)(C)CN1;SCUDSWPTSIXJEK-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141373;MM141373;CC1(C)CNC(NN)=N1;WWLQDQZDYLAWEN-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141374;MM141374;CC1(C)CNC(NO)=N1;UYOYWXVWGSXWND-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141375;MM141375;CC1(C)COC(NN)=N1;KGEOSXLJZWOXDK-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141376;MM141376;CNN(C)C(=O)C(F)CF;AEPABWBUVGHSHF-UHFFFAOYSA-N;152.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141377;MM141377;C=CC1=CC(C)(C)CC1;AYYNBSHVRIBUCE-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141378;MM141378;CC1(C)C=C(C=O)CC1;JELDIZOGZQFOHA-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141379;MM141379;CC1(C)C=C(C#N)CC1;YLAQQGNYBXWMSU-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141380;MM141380;C=CC1=CC(C)(N)CC1;GMWQCZUPWKRLIJ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141381;MM141381;CCN(C=NO)CCC=O;QFGJDPRIJGHYDV-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141382;MM141382;CC1(O)C=C(C=O)CC1;QSIJZCRFKVDFJI-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141383;MM141383;CC1(O)C=C(C#N)CC1;DDCWLNASCOKLRM-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141384;MM141384;C=CC1=CC(C)(F)CC1;RCBWDDJVDBMWGF-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141385;MM141385;CC1(F)C=C(C=O)CC1;DUHCAKRLEVIMDK-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141386;MM141386;CC1(F)C=C(C#N)CC1;GHRQCAQNQOHDJI-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141387;MM141387;C=CC1=CC(F)(F)CC1;ZXZAWTNDDJDXKP-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141388;MM141388;O=CC1=CC(F)(F)CC1;DZLLHVNZMKLTSW-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141389;MM141389;N#CC1=CC(F)(F)CC1;PFVQXSMSHGCHNH-UHFFFAOYSA-N;129.11;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141390;MM141390;C=CC1=CC(C)(C)CO1;MNJQZAYMLIDYPA-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141391;MM141391;CC1(C)C=C(C=O)OC1;FMPLFAWZEAOWQP-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141392;MM141392;CC1(C)C=C(C#N)OC1;OZTXSOYLOIRQFX-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141393;MM141393;C=CC1=CC(C)(N)CO1;GXEYQTVUVOFSGE-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141394;MM141394;C=CC1=CC(C)(O)CO1;YUSAAVIPCROVFW-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141395;MM141395;CC1(O)C=C(C=O)OC1;BVCKVNSBMLRXOO-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141396;MM141396;CC1(O)C=C(C#N)OC1;FOVKYCFZTQNFPX-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141397;MM141397;C=CC1=CC(C)(F)CO1;YFLFMWBRYCVZMJ-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141398;MM141398;CC1(F)C=C(C=O)OC1;YOYBBXYQPSWLPT-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141399;MM141399;CC1(F)C=C(C#N)OC1;COUMEUQNCWAHAH-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141400;MM141400;C=CC1=CC(F)(F)CO1;RWCHFWIJGBGWBA-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141401;MM141401;O=CC1=CC(F)(F)CO1;FKWLYHSUSITERP-UHFFFAOYSA-N;134.08;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141402;MM141402;N#CC1=CC(F)(F)CO1;QZYRRJCHPJKUPA-UHFFFAOYSA-N;131.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141403;MM141403;C=CC1=CC(C)(C)NC1;OGXLLNQHFPEYEN-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141404;MM141404;CC1(C)C=C(C=O)CN1;CGDXMUVAQFUSSS-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141405;MM141405;C=CC1=CC(C)(C)OC1;SXTRBJHXGVHNKW-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141406;MM141406;CC1(C)C=C(C=O)CO1;KKNSTYYDIHVEFT-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141407;MM141407;CC1(C)C=C(C#N)CO1;AQOGDQZCGCWMTE-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141408;MM141408;C#CC1=CC(C)(C)CC1;UMBJGQIISZXNDW-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141409;MM141409;C#CC1=CC(C)(N)CC1;IXJQIIFAWFLBGX-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141410;MM141410;CN(N)C(=NO)N(C)C=O;RSHXZBDIOGVGQY-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141411;MM141411;C#CC1=CC(C)(F)CC1;KUWZUWOUKWSPGI-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141412;MM141412;C#CC1=CC(F)(F)CC1;GYDBRLJRJYFFRG-UHFFFAOYSA-N;128.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141413;MM141413;C#CC1=CC(C)(C)CO1;SJSLDXCOIOTDNR-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141414;MM141414;C#CC1=CC(C)(N)CO1;XMMQKHKGBSHUHI-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141415;MM141415;C#CC1=CC(C)(O)CO1;PYBAWCGMMUYYDN-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141416;MM141416;C#CC1=CC(C)(F)CO1;WSCOQXRXSGAGPM-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141417;MM141417;C#CC1=CC(F)(F)CO1;UATSGKRXAQBLMY-UHFFFAOYSA-N;130.09;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141418;MM141418;C#CC1=CC(C)(C)NC1;HMEAVWRJXQFWAV-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141419;MM141419;C#CC1=CC(C)(C)OC1;ZFJSMYVKNGHTPX-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141420;MM141420;CCC1=CC(C)(C)C=C1;MEEFWEAXJLBAKY-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141421;MM141421;CC1(C)C=CC(CN)=C1;ONLSTFXFEVHHMC-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141422;MM141422;CC1(C)C=CC(CO)=C1;DBQZFUFKYTULBY-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141423;MM141423;CC1(C)C=CC(CF)=C1;LLKWXEJYYUXPMJ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141424;MM141424;CCC1=CC(C)(N)C=C1;HLAALOVKSFBGLT-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141425;MM141425;CC1(N)C=CC(CN)=C1;CLMYYMQUQHXZOV-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141426;MM141426;CC1(N)C=CC(CO)=C1;PHWLNCJDRYPZJC-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141427;MM141427;CC1(N)C=CC(CF)=C1;VAWJLJNKRYODDB-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141428;MM141428;N=CN=C1CC=C(C=O)N1;AIPOMIKUZVQGHL-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141429;MM141429;CC1(O)C=CC(CN)=C1;LIDCKFMNQODMHJ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141430;MM141430;CC1(O)C=CC(CO)=C1;MNFQVLONTLBXKZ-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141431;MM141431;CC1(O)C=CC(CF)=C1;VRIANJFZTKOTPX-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141432;MM141432;CCC1=CC(C)(F)C=C1;FUAXGGXJFYHOPS-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141433;MM141433;CC1(F)C=CC(CN)=C1;IMVILSIFZMELFM-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141434;MM141434;CC1(F)C=CC(CO)=C1;YYYXSTKVZDQZFW-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141435;MM141435;CC1(F)C=CC(CF)=C1;AJKIXHPKNVIRFN-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141436;MM141436;CCC1=CC(F)(F)C=C1;MNONDWFDLDASGX-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141437;MM141437;NCC1=CC(F)(F)C=C1;KNENDTDURIMQDE-UHFFFAOYSA-N;131.13;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141438;MM141438;OCC1=CC(F)(F)C=C1;GMAJQEMKRXEOFO-UHFFFAOYSA-N;132.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141439;MM141439;FCC1=CC(F)(F)C=C1;UINTWQHKMGUORY-UHFFFAOYSA-N;134.1;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141440;MM141440;COC1=CC(C)(C)C=C1;FUENLFLOUNRSSV-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141441;MM141441;COC1=CC(C)(N)C=C1;JFOCLUCLNJGAEV-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141442;MM141442;COC1=CC(C)(O)C=C1;PGXNPMNUHXYMHE-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141443;MM141443;COC1=CC(C)(F)C=C1;DZCQQDIISMSFJM-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141444;MM141444;COC1=CC(F)(F)C=C1;UBKZGWPVPWSPDR-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141445;MM141445;CCCC1=CCC(=NO)N1;OOJISCHSQGVLQK-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141446;MM141446;C=CC1=CC(C)(C)C=C1;UFLYPJUVEPSBON-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141447;MM141447;CC1(C)C=CC(C=O)=C1;QKELATCNSWFFHV-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141448;MM141448;CC1(C)C=CC(C#N)=C1;ZTSLOLVMQLNIIQ-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141449;MM141449;C=CC1=CC(C)(N)C=C1;LTCCODIARJGGRW-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141450;MM141450;C=Cc1cn(CC#N)cn1;DILCKZYPWVUSPW-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141451;MM141451;CC1(O)C=CC(C=O)=C1;QBSIOYVCIPKDJI-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141452;MM141452;CC1(O)C=CC(C#N)=C1;KFTNTJJGGOKBSR-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141453;MM141453;C=CC1=CC(C)(F)C=C1;NYVQWHHZFJOAHB-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141454;MM141454;CC1(F)C=CC(C=O)=C1;GEUPWEIQARSIOE-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141455;MM141455;CC1(F)C=CC(C#N)=C1;METMMMMKPDMCBX-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141456;MM141456;C=CC1=CC(F)(F)C=C1;MUFISWXSQFFMFL-UHFFFAOYSA-N;128.12;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141457;MM141457;O=CC1=CC(F)(F)C=C1;RBHKPNZTUOCCOV-UHFFFAOYSA-N;130.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141458;MM141458;N#CC1=CC(F)(F)C=C1;XBDLKOVODHSSGR-UHFFFAOYSA-N;127.09;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141459;MM141459;C#CC1=CC(C)(C)C=C1;YVTVTEVCXLRIMB-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141460;MM141460;C#CC1=CC(C)(N)C=C1;GMDPLURZKOSGDU-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141461;MM141461;C#Cc1cn(CC#N)cn1;BLAASQUDHSTLSZ-UHFFFAOYSA-N;131.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141462;MM141462;C#CC1=CC(C)(F)C=C1;IHKCJKOZCDDUJT-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141463;MM141463;C#CC1=CC(F)(F)C=C1;ADEKVRFTPCMDKA-UHFFFAOYSA-N;126.11;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141464;MM141464;CN1CCC(C)(C)CC1;CWHCTKAJYQOXMG-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141465;MM141465;N=C1CCC(F)(F)CN1;CTXWKVCWAVYYFV-UHFFFAOYSA-N;134.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141466;MM141466;O=C1CCC(F)(F)CN1;GAGZNRUIVHZKQV-UHFFFAOYSA-N;135.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141467;MM141467;C=C1CCC(F)(F)CO1;ADTBQWKTEWQJDX-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141468;MM141468;O=C1CCC(F)(F)CO1;CXDIPCAPQKYDCL-UHFFFAOYSA-N;136.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141469;MM141469;C=C1COC(C)(C)OC1;CZYIDMJZUDXWET-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141470;MM141470;CC1(C)OCC(=O)CO1;ASFQDNDZFGFMMP-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141471;MM141471;CC1(C)ONC(=O)NO1;WWTDOXFEJJEKIS-UHFFFAOYSA-N;132.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141472;MM141472;CC1(N)C=CC(F)CC1;BHZXCCUBQWIXDC-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141473;MM141473;CC1(O)C=CC(N)CC1;MWSMUZSXTCYRHP-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141474;MM141474;CC1C=CC(C)(F)CC1;ZPXKOJCTWYWPLG-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141475;MM141475;C=C1C=CC(F)(F)CC1;WNDUHIXAKILTJV-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141476;MM141476;CC1(C)C=CC(F)C=C1;HXZJTVLRKYWQEY-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141477;MM141477;CC1(N)C=CC(F)C=C1;GFSXHQQKHJCQSK-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141478;MM141478;CC1(O)C=CC(F)C=C1;ONZSRZYPFOHZDF-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141479;MM141479;FC1C=CC(F)(F)C=C1;CIYWWCRQQLHCRC-UHFFFAOYSA-N;134.1;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141480;MM141480;CCC(C)CC(C)CC;DZJTZGHZAWTWGA-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141481;MM141481;CCC(C)CC(C)CN;YKSSRNAGQDAYQH-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141482;MM141482;O=CCC=CCNC=NO;HOGLUBIKSLRBHP-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141483;MM141483;CCC(C)CC(C)CF;AIBXHMLRCJNUDB-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141484;MM141484;CC(CN)CC(C)CO;XDEUQVMNILRVDA-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141485;MM141485;CC(CN)CC(C)CF;RJHBIFMEQFVUPT-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141486;MM141486;O=CNN=CC1CN1;CVEUNDMFPUHGQD-UHFFFAOYSA-N;113.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141487;MM141487;NNC(=O)COCCF;RLOUUJCPBVAPEF-UHFFFAOYSA-N;136.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141488;MM141488;CC(CF)CC(C)CF;SGVYQHXEGVTFFZ-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141489;MM141489;CCC(C)CC(N)CC;HGEQWMSHDSUEJA-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141490;MM141490;CCC(C)CC(N)CN;BBIKXNSRPPHFPJ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141491;MM141491;CCC(C)CC(N)CO;HFTBNMIETSNLEF-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141492;MM141492;CCC(C)CC(N)CF;XYLBYORRSAJYNU-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141493;MM141493;CCC(N)CC(C)CN;QSMCLIWFRATFMT-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141494;MM141494;CC(CN)CC(N)CN;XEKWCXPLODFXIG-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141495;MM141495;CC(CN)CC(N)CO;VCJPZMFOOIYUNS-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141496;MM141496;CC(CN)CC(N)CF;XUBVUXZWOIODHS-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141497;MM141497;CCC(N)CC(C)CO;SBJSMWHMOBKEDA-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141498;MM141498;CC(CO)CC(N)CN;ZMLXVIISPHSURX-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141499;MM141499;CC(CO)CC(N)CF;GRCBFLOARHFDIP-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141500;MM141500;CCC(N)CC(C)CF;GMTFLKYIPLSQBL-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141501;MM141501;CC(CF)CC(N)CF;DBNCHOWSZWIPOM-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141502;MM141502;CC1C=C(F)C(=N)N1O;ANTWBTCXJSZMAV-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141503;MM141503;CCC(C)CC(O)CN;DCPXFBSPMYKUIX-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141504;MM141504;CCC(C)CC(O)CO;IMHLMIRSHNHXBC-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141505;MM141505;CCC(C)CC(O)CF;JZTSTZYTXKWAKO-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141506;MM141506;CCC(O)CC(C)CN;XSCBBKDGFYRDPR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141507;MM141507;CC(CN)CC(O)CN;OBYLQFCMXHINHE-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141508;MM141508;CC(CN)CC(O)CO;RTPXGCZKNZEDBO-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141509;MM141509;CC(CN)CC(O)CF;NZCVYLJIXZYELU-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141510;MM141510;CCC(O)CC(C)CO;PIGIJFKGLQGMPY-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141511;MM141511;CC(CO)CC(O)CO;SQMUTUDZQSRFPW-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141512;MM141512;CCC(O)CC(C)CF;IAUYVFLYFOHJCW-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141513;MM141513;CCC(C)CC(F)CC;YPCSZHMLPYDXFF-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141514;MM141514;CCC(C)CC(F)CN;KKVYYOPQKURBJW-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141515;MM141515;CCC(C)CC(F)CO;IQFSHAVWNMAVFD-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141516;MM141516;CC(CN)CC(F)CN;YFGXAYDBDQOXHX-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141517;MM141517;CC(CN)CC(F)CO;UVIKAVHYXSAAQM-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141518;MM141518;CC(CN)CC(F)CF;HGMLGWYLMRVRAB-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141519;MM141519;CCC(F)CC(C)CO;YVAXYDRHMNFTGB-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141520;MM141520;CC(CO)CC(F)CF;OKUAHZNURCYQHS-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141521;MM141521;CCC(F)CC(C)CF;AWUWTZXEEVFYND-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141522;MM141522;CC(CF)CC(F)CF;OYOJUEZPQYBKGR-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141523;MM141523;CCC(N)CC(N)CC;GZVVDCYSRRRWCX-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141524;MM141524;CCC(N)CC(N)CF;QKUPSHZHHXIOJI-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141525;MM141525;NCC(N)CC(N)CO;JLIFPLKTQAVHTC-UHFFFAOYSA-N;133.2;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141526;MM141526;NCC(N)CC(N)CF;UNYSNICTAOOGTE-UHFFFAOYSA-N;135.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141527;MM141527;NC(CO)CC(N)CO;VXZZUDBQNPFJEP-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141528;MM141528;NC(CO)CC(N)CF;VBBICWGHVRSHSS-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141529;MM141529;NC(CF)CC(N)CF;VMISJPYRBQATFB-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141530;MM141530;CCC(N)CC(O)CC;JWDWCHZBTPOBRT-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141531;MM141531;NCC(N)CC(O)CN;YQRVYSDZZAVBAN-UHFFFAOYSA-N;133.2;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141532;MM141532;NCC(N)CC(O)CF;XAHTYNQTOMNDTJ-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141533;MM141533;NCC(O)CC(N)CO;OMNZONOTVLRDMA-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141534;MM141534;NC(CO)CC(O)CO;JZPKWUUWDFAHGD-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141535;MM141535;NC(CO)CC(O)CF;HCUUTBXQLLTHMC-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141536;MM141536;NCC(O)CC(N)CF;UMZRTDRCRXDIPI-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141537;MM141537;CCC(N)CC(F)CC;MPJNKYZDLNWCTR-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141538;MM141538;CCC(N)CC(F)CO;NARFEWQUGXVQTG-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141539;MM141539;CCC(N)CC(F)CF;STCJRHNDRNLNIT-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141540;MM141540;NCC(N)CC(F)CN;MPLTVXBESKRZQT-UHFFFAOYSA-N;135.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141541;MM141541;NCC(N)CC(F)CO;RBKXBAVEEUNOOA-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141542;MM141542;NC(CO)CC(F)CO;CXSLNCKPHRCIGB-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141543;MM141543;NC(CO)CC(F)CF;HPRDCXZIAXWLPO-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141544;MM141544;CCC(O)CC(O)CC;BQWORYKVVNTRAW-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141545;MM141545;CCC(O)CC(O)CO;DZZRNEZNZCRBOT-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141546;MM141546;NCC(O)CC(O)CN;KTUOJJZMHXZYLG-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141547;MM141547;NCC(O)CC(O)CO;SEBMPFUKOYKZKJ-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141548;MM141548;NCC(O)CC(O)CF;DVLZHUUGNSAIKW-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141549;MM141549;OCC(O)CC(O)CF;CYDFCINVYNGKMV-UHFFFAOYSA-N;138.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141550;MM141550;CCC(O)CC(F)CF;SDWABDRARNWENH-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141551;MM141551;NCC(O)CC(F)CN;CPWGJTIRGNHWNY-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141552;MM141552;NCC(O)CC(F)CO;TYLXTYUZGDCILN-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141553;MM141553;NCC(O)CC(F)CF;ULJOKPWHDYUYMM-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141554;MM141554;OCC(O)CC(F)CO;TXTNWOVMVNBRKM-UHFFFAOYSA-N;138.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141555;MM141555;OCC(O)CC(F)CF;SIUOAKARGZCYRS-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141556;MM141556;OCC(F)CC(O)CF;SDTBZKLWUULJTO-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141557;MM141557;OC(CF)CC(F)CF;UULXTABDBVISEE-UHFFFAOYSA-N;142.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141558;MM141558;CCC(F)CC(F)CC;RQLZIFCNAADMDI-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141559;MM141559;CCC(F)CC(F)CF;HGNNWODYLWZYBI-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141560;MM141560;NCC(F)CC(F)CN;MERMRZDXIFRLGW-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141561;MM141561;NCC(F)CC(F)CO;JEKZEALCXRGGPQ-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141562;MM141562;OCC(F)CC(F)CF;QOMASKGPXWXBBW-UHFFFAOYSA-N;142.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141563;MM141563;FCC(F)CC(F)CF;ABDZQVQNIFIXGY-UHFFFAOYSA-N;144.11;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141564;MM141564;CCC(C)CC(C)NC;FEDBJCMDAJPNJY-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141565;MM141565;CNC(C)CC(C)CN;RKZPONJPHXEDTI-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141566;MM141566;CNC(C)CC(C)CO;DAYGUVPKOCLZBO-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141567;MM141567;CNC(C)CC(C)CF;XRIRXLYBIRPGPK-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141568;MM141568;CCC(N)CC(C)NC;GROBWJSFLJWCDU-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141569;MM141569;CNC(C)CC(N)CN;AGTZUJIQBNQDHN-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141570;MM141570;CNC(C)CC(N)CO;RJOIZOHPDUABRH-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141571;MM141571;CNC(C)CC(N)CF;CSTGLSYXAGLKQG-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141572;MM141572;CCC(O)CC(C)NC;FXUGFSWTAVEEJG-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141573;MM141573;CNC(C)CC(O)CN;BLPIMFGKJIDXIZ-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141574;MM141574;CNC(C)CC(O)CO;SOKRIFMZRNMBHB-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141575;MM141575;CNC(C)CC(F)CN;SBTOYWKXMBFLKS-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141576;MM141576;CCC(C)CC(C)OC;QTMFSFAPGRJOTQ-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141577;MM141577;COC(C)CC(C)CN;IACFZZGSJMZCNM-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141578;MM141578;COC(C)CC(C)CO;ZFQGUPYRNLYXQR-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141579;MM141579;COC(C)CC(C)CF;LHWJCIAFVDOJAL-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141580;MM141580;CCC(N)CC(C)OC;ILPDGAFZIGAZHG-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141581;MM141581;CCC(O)CC(C)OC;GIGAYIJEZLOOPB-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141582;MM141582;CCC(F)CC(C)OC;HSVCHQFRMBECAM-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141583;MM141583;COC(C)CC(F)CF;GWYLVFZSPHWOTL-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141584;MM141584;CNC(C)CC(C)OC;BZTVZLGRVGONIB-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141585;MM141585;COC(C)CC(C)OC;FIIWNFXKLFDYNT-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141586;MM141586;CCC(C)NC(C)CC;OBYVIBDTOCAXSN-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141587;MM141587;CCC(C)NC(C)CN;XBBVLLFCJTYZIO-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141588;MM141588;CCC(C)NC(C)CF;AIBKBNRHMRVMKC-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141589;MM141589;CC(CN)NC(C)CN;DHDJPXLJQOSTBD-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141590;MM141590;CC(CN)NC(C)CO;RFZLAVYWBSCDON-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141591;MM141591;CC(CN)NC(C)CF;AQBXKJIBALCFHZ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141592;MM141592;CC(CO)NC(C)CF;QXPOTGMUPMYYTJ-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141593;MM141593;CCC(C)OC(C)CC;HHBZZTKMMLDNDN-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141594;MM141594;CCC(C)OC(C)CN;CLMWCRFLPNPEET-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141595;MM141595;CCC(C)OC(C)CO;NNLBSWXMOLUNJC-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141596;MM141596;CCC(C)OC(C)CF;KMDPRBPNHDCDKX-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141597;MM141597;CC(CF)OC(C)CF;OXYSIKMKFWSIDA-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141598;MM141598;CCC(C)OC(C)OC;OWICMPPRAUZRIN-UHFFFAOYSA-N;132.2;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141599;MM141599;COC(C)OC(C)CN;CHPBVTVYMGYDDE-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141600;MM141600;CCC(C)CN(C)CC;FDVGAMJGVBLLES-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141601;MM141601;CCN(C)CC(C)CO;RWAZIPOUKGQGOW-UHFFFAOYSA-N;131.22;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141602;MM141602;CCN(C)CC(C)CF;DSQNLZCXWMNESH-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141603;MM141603;CCC(N)CN(C)CC;SUAVTRWGUZCLCM-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141604;MM141604;CCN(C)CC(N)CN;WCWOEDYJLFPVBP-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141605;MM141605;CCN(C)CC(N)CO;XRCZCKIGKUAJQA-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141606;MM141606;CCC(O)CN(C)CC;WLAIGDOGZNFYNQ-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141607;MM141607;CCN(C)CC(O)CN;VSBXEJFHDVVVGX-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141608;MM141608;CCN(C)CC(C)NC;NYNAWEVAYBCINM-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141609;MM141609;CCN(C)CC(C)OC;JMAZCSHLJWQSFV-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141610;MM141610;C=CC(C)CC(C)CC;DCVSLNMQNXIBIT-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141611;MM141611;CCC(C)CC(C)C=O;MTTYIWPARUGWCA-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141612;MM141612;CCC(C)CC(C)C#N;IPTOZYGQFKIXMN-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141613;MM141613;C=CC(C)CC(C)CN;QJUHDNQKSWRKTM-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141614;MM141614;CN1CC1C=NNC=O;IXMPHPBXEVBLPL-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141615;MM141615;C#CC(O)C#CC1CN1;QPZQTUVIYIUGNQ-UHFFFAOYSA-N;121.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141616;MM141616;N=C(C(=O)NN)N1CC1;RREGTPGBBQPHRD-UHFFFAOYSA-N;128.14;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141617;MM141617;C=CC(C)CC(C)CF;XRXQVMYZPMWWML-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141618;MM141618;CC(C=O)CC(C)CF;VHRZAECPIKTCEO-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141619;MM141619;CC(C#N)CC(C)CF;JGBUOCFXRQZLLP-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141620;MM141620;C=CC(N)CC(C)CC;QVMCHCPQLAUZBW-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141621;MM141621;C=CC(N)CC(C)CF;LMNHBNJQDAQVSO-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141622;MM141622;CC(=NO)NCC(C)(C)F;IWJVAJBHNOHGMJ-UHFFFAOYSA-N;148.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141623;MM141623;CCC(C)CC(O)C=O;XBQUYNDUMHCBOO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141624;MM141624;CCC(C)CC(O)C#N;JHXOXIUAORKRJB-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141625;MM141625;C=CC(F)CC(C)CC;GVRZWKIEHUMWBF-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141626;MM141626;CCC(C)CC(F)C=O;OKWLIOUFWJXZCC-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141627;MM141627;CCC(C)CC(F)C#N;LIPOSZSCDJJUQQ-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141628;MM141628;C=CC(F)CC(C)CN;GWRZGUPRYBENGQ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141629;MM141629;CC(CF)CC(F)C=O;GVFKDXQYPBCSGG-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141630;MM141630;C=CC(C)CC(N)CC;MROVGJCVYCSLQL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141631;MM141631;C=CC(N)CC(N)CN;WDZPITDIFKEXBW-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141632;MM141632;C=CC(N)CC(N)CO;MFGYJJYHQGCYHU-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141633;MM141633;C=CC(N)CC(N)CF;HDUNHVNPSDLDFI-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141634;MM141634;C=CC(O)CC(N)CN;GDWJRQMNPFVQJV-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141635;MM141635;C=CC(O)CC(N)CO;YKZWMIUOSTWXKA-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141636;MM141636;C=CC(F)CC(N)CC;PEKKNZIGEZJELW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141637;MM141637;C=C(F)CC(=O)NNCC;HMEXOWWZYNLSKM-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141638;MM141638;CCC(O)CC(C)C=O;ROQYFKRZVQBGEN-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141639;MM141639;CCC(O)CC(C)C#N;NSRIIDNPLFVEOI-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141640;MM141640;C=CC(C)CC(O)CO;SSQYDZZXMYGYGH-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141641;MM141641;CC(C=O)CC(O)CO;MIOKEEMVRCZHGU-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141642;MM141642;CC(C#N)CC(O)CO;IHBFKXUKHRBECC-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141643;MM141643;C=CC(C)CC(O)CF;OTFFDKLCCOKUBK-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141644;MM141644;C=CC(N)CC(O)CN;AFXSCYOBRMMYTL-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141645;MM141645;C=CC(N)CC(O)CO;VQGBJEOLIMOZBC-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141646;MM141646;C=CC(O)CC(O)CC;ORXQCSFBMXUINI-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141647;MM141647;C=CC(O)CC(O)CN;IARQNDDFTVEYOO-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141648;MM141648;C=CC(O)CC(O)CO;IWQYHIQZOCCCIK-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141649;MM141649;O=CC(O)CC(O)CO;GKHJPQPGKIAEJO-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141650;MM141650;N#CC(O)CC(O)CO;PXHSPDBSGURILY-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141651;MM141651;C=CC(O)CC(O)CF;YPIGIZLITGZGFA-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141652;MM141652;O=CC(O)CC(O)CF;OEZZNKQQKTUBAW-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141653;MM141653;N#CC(O)CC(O)CF;DJQYTSVNVILJPP-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141654;MM141654;C=CC(F)CC(O)CC;SNULQCLFQBBSLT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141655;MM141655;N#CC(F)CC(O)CO;ZMKGIUAIYQEVHM-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141656;MM141656;N#CC(F)CC(O)CF;FKAAFPAWZHHXEN-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141657;MM141657;C=CC(C)CC(F)CC;LJMNEAPIEWZKMR-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141658;MM141658;CCC(F)CC(C)C=O;LTAYERLTGFZNPL-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141659;MM141659;CCC(F)CC(C)C#N;LHAWUUXHPWOMJG-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141660;MM141660;C=CC(C)CC(F)CN;SVZYELCMUJCIRG-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141661;MM141661;C=CC(C)CC(F)CO;PHEYFAOAYGVEQI-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141662;MM141662;CC(C=O)CC(F)CO;QMSSGGJLKJUPAF-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141663;MM141663;C=CC(C)CC(F)CF;GYWYTLACWMDXFB-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141664;MM141664;CC(C=O)CC(F)CF;ZYUUHVXGVGGCAJ-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141665;MM141665;C=CC(N)CC(F)CN;UAUJTCUMAUKZGA-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141666;MM141666;C=CC(O)CC(F)CC;IJPAETXPRDKOSA-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141667;MM141667;C=CC(O)CC(F)CN;CPVPQXPSIBKONO-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141668;MM141668;C=CC(O)CC(F)CO;NUKUHGKBELCIFM-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141669;MM141669;O=CC(O)CC(F)CO;YUBPPCJDMAXPRM-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141670;MM141670;N#CC(O)CC(F)CO;JJZVRMMGXFEYDT-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141671;MM141671;C=CC(F)CC(F)CC;QXAGCJDLQOWRHH-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141672;MM141672;CCC(F)CC(F)C=O;QGDWJTHPERHCIZ-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141673;MM141673;CCC(F)CC(F)C#N;PSRSADOLTOWRJC-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141674;MM141674;N#CC(F)CC(F)CO;IXSJDKVHZGTGCL-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141675;MM141675;N#CC(F)CC(F)CF;GXUYPRQZOWJJSU-UHFFFAOYSA-N;137.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141676;MM141676;C=CC(C)CC(C)NC;WXOXUAKGEAPSPT-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141677;MM141677;CNC(C)CC(C)C=O;WBIKBBTVOVMELV-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141678;MM141678;CNC(C)CC(C)C#N;JDBLJKZFIXYQFL-UHFFFAOYSA-N;126.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141679;MM141679;C=CC(N)CC(C)NC;DBRSSUODPVJIHG-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141680;MM141680;CNC(C)CC(O)C#N;UWFGQBILDAYJTE-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141681;MM141681;C=CC(F)CC(C)NC;FNXAUKLAXDBBGT-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141682;MM141682;C=CC(C)CC(C)OC;AUKUHWOLBJQESS-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141683;MM141683;COC(C)CC(C)C=O;AHRDTHMGWRODIC-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141684;MM141684;COC(C)CC(C)C#N;VJUZKTIBTFLFKR-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141685;MM141685;C=CC(N)CC(C)OC;VSDLBYBGLPQABR-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141686;MM141686;C=CC(O)CC(C)OC;YKINBVNMDHHOOB-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141687;MM141687;C=CC(F)CC(C)OC;WLRWJKXIHOJSFK-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141688;MM141688;COC(C)CC(F)C#N;JULPNEUPTOHHAY-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141689;MM141689;C=CC(C)NC(C)CC;KUBMXMCMSJREIP-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141690;MM141690;CCC(C)NC(C)C=O;NUWLQOXQEQHPIE-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141691;MM141691;CN=C(N)C(=O)NN(C)C;KMNFLFRJBXKCIR-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141692;MM141692;C=CC(C)OC(C)CC;RWKIKEJISBVNQL-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141693;MM141693;CCC(C)OC(C)C=O;DFEUOXKQDKLTKK-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141694;MM141694;CCC(C)OC(C)C#N;QYMSJQVMUGZTOG-UHFFFAOYSA-N;127.19;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141695;MM141695;C=CC(C)OC(C)CO;COPXEXAUTUOGFK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141696;MM141696;CC(C=O)OC(C)CO;SAHVHGZQVIJLKS-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141697;MM141697;C=CC(C)OC(C)CF;SIUMMGLQJOBRJF-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141698;MM141698;C=CC(C)OC(C)OC;NAHSFNKTUNLLTM-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141699;MM141699;CCC(C)CN(C)C=N;YCXYNHFPWRYNTE-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141700;MM141700;CCC(C)CN(C)C=O;KYJMPHWVYLRLGA-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141701;MM141701;CC(CO)CN(C)C=N;CQWWKYBYYVOOQP-UHFFFAOYSA-N;130.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141702;MM141702;CC(CF)CN(C)C=O;DUDDACQRYLJJHF-UHFFFAOYSA-N;133.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141703;MM141703;CCC(C)CN(N)C=N;WPZKEFRMJNMXFP-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141704;MM141704;CCC(C)CN(N)C=O;MSYFHYZUHDBQTK-UHFFFAOYSA-N;130.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141705;MM141705;CC(CO)CN(N)C=N;OZXNUFUDRUEFJW-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141706;MM141706;CN(C)NC(=NO)NC=O;MJHZENUCTRKRHA-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141707;MM141707;CCC(C)CN(O)C=N;YDWTXJVVGOSNCF-UHFFFAOYSA-N;130.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141708;MM141708;CC(CN)CN(O)C=N;CUNBPEVKEWDFBP-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141709;MM141709;CC(CN)CN(O)C=O;NHFHUCCKXCMJJW-UHFFFAOYSA-N;132.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141710;MM141710;CC(CO)CN(O)C=O;SGOXTMYFEVYELN-UHFFFAOYSA-N;133.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141711;MM141711;CCC(N)CN(C)C=N;OVBCJOLHFFSHRZ-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141712;MM141712;CN(C=N)CC(N)CN;BKCICBVMJGOZDM-UHFFFAOYSA-N;130.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141713;MM141713;CN(C=O)CC(N)CN;NAAOMQHNDNLDAU-UHFFFAOYSA-N;131.18;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141714;MM141714;CN(C=N)CC(N)CO;JHSNARDMVWMWOM-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141715;MM141715;CN(C=O)CC(N)CO;QSKKKTRUVHSTFJ-UHFFFAOYSA-N;132.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141716;MM141716;CCC(N)CN(O)C=N;ZZVIRTRHBUDREE-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141717;MM141717;N=CN(O)CC(N)CN;OMEWFATUNZVPQD-UHFFFAOYSA-N;132.17;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141718;MM141718;CN(C=N)CC(O)CN;ZYUAJQHCNMVYID-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141719;MM141719;CN(C=N)CC(O)CO;ZPWGMPHSFBQDHJ-UHFFFAOYSA-N;132.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141720;MM141720;CN(C=O)CC(O)CO;XIQPYXUBQCRBFX-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141721;MM141721;CN(C=N)CC(O)CF;XRZPYDDXUGRQGD-UHFFFAOYSA-N;134.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141722;MM141722;CN(C=O)CC(O)CF;XVTIGVLKPVTUJM-UHFFFAOYSA-N;135.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141723;MM141723;CCC(O)CN(N)C=N;GOTCIRPGGKOJRD-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141724;MM141724;C=C(CC#N)C(=O)NNC;ADPKHYOVBSDXFD-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141725;MM141725;C=C(CCC)N(C)C=NO;OMXIHWUECYBNLY-UHFFFAOYSA-N;142.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141726;MM141726;N=CN(N)CC(O)CF;OSSCYHYXCOMMKB-UHFFFAOYSA-N;135.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141727;MM141727;C=C(C(C)C)N(C)C=NO;IBNOSRBRXKTXKU-UHFFFAOYSA-N;142.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141728;MM141728;N=CN(O)CC(O)CN;JTZQODNKIAMCDT-UHFFFAOYSA-N;133.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141729;MM141729;CN(C=O)CC(F)CN;RMNLEJYXVVYNGX-UHFFFAOYSA-N;134.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141730;MM141730;CN(C=N)CC(F)CO;SRSHWCITTDCGGV-UHFFFAOYSA-N;134.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141731;MM141731;CN(C=N)CC(F)CF;SPQSCJPMPHGCQX-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141732;MM141732;CN(C=O)CC(F)CF;INVOLHGZZDFWBT-UHFFFAOYSA-N;137.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141733;MM141733;C=CC(C=O)NC(C)=NO;FHFQWKCYESEVCD-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141734;MM141734;C=NN(C)CC(C)CC;CLXUEAHJFVUGNB-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141735;MM141735;C=NN(C)CC(C)CN;DFLRXFJNRBLTPV-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141736;MM141736;C=CC(C)=CC(C=C)=NO;QPPYNIUWBRICHO-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141737;MM141737;C=NN(C)CC(N)CC;WRSJXSCBVODINK-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141738;MM141738;C=NN(C)CC(N)CN;ZJPRIUIDHMBNCE-UHFFFAOYSA-N;130.2;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141739;MM141739;C=NN(C)CC(N)CO;KAKNOWALTOVTDX-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141740;MM141740;C#CCNC(=NO)NC=O;ZTQMWYYUWDLGOR-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141741;MM141741;C=NN(C)CC(O)CN;SUFPTWLKLUMGGA-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141742;MM141742;C=CC(C=O)CNC=NO;JYJIZJCKHQLXRV-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141743;MM141743;C=NN(C)CC(F)CC;LRZUFVHQHXGPKV-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141744;MM141744;C=NN(C)CC(F)CN;LPURJSJWUXAJHN-UHFFFAOYSA-N;133.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141745;MM141745;NN=CN(N)C(=NO)NN;ACVKWZUXDSBVBS-UHFFFAOYSA-N;147.14;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141746;MM141746;CNC(C)CN(C)C=N;QEKRSRCFLHIADT-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141747;MM141747;CNC(C)CN(N)C=N;ZHCNDRXCRULOAH-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141748;MM141748;CNC(C)CN(N)C=O;JQHNWFGWMWDPLU-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141749;MM141749;COC(C)CN(C)C=N;VYKMSDJDIALMGJ-UHFFFAOYSA-N;130.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141750;MM141750;COC(C)CN(C)C=O;WJEVWBOLWYICDJ-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141751;MM141751;COC(C)CN(N)C=O;RLXLVNJHHYFUPB-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141752;MM141752;CC(CN)NN(C)C=N;XNVCSTNNBBZAKX-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141753;MM141753;CC(CN)NN(C)C=O;CMMDMQLZXQPWJY-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141754;MM141754;COc1cn(CC#N)cn1;PKQNYAVAHBEGTD-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141755;MM141755;CCC(C)ON(C)C=O;QTPUBEFJKAUHHE-UHFFFAOYSA-N;131.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141756;MM141756;CC(CN)ON(C)C=O;KVDYDROHLDRKBP-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141757;MM141757;COC(C)ON(C)C=N;ZJYGQKSUJMUNEI-UHFFFAOYSA-N;132.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141758;MM141758;COC(C)ON(C)C=O;NDHOOCNZDXHCJI-UHFFFAOYSA-N;133.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141759;MM141759;C=CC(C)CN(C)CC;FUZYJFNCISLPES-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141760;MM141760;CCN(C)CC(C)C=O;AYSZUURVNPAXJC-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141761;MM141761;C#CC(C)CC(C)CC;MFRUBSJYYWOZAX-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141762;MM141762;C#CC(C)CC(C)CN;HRHPYENDYRJRFE-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141763;MM141763;O=CC=CCCNC=NO;KKOIEIJMFSZMFJ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141764;MM141764;C#CC(C)CC(C)CF;VVHSDMBBEYOLGF-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141765;MM141765;C#CC(N)CC(C)CC;OQJAWJLAPHWSHI-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141766;MM141766;C#CC(O)CC(C)CC;NUZKGSBBGNVKTC-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141767;MM141767;C#CC(F)CC(C)CC;WNPTZAVDDCCNEV-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141768;MM141768;C#CC(F)CC(C)CN;MZVXCHPDYZYPBH-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141769;MM141769;C#CC(F)CC(C)CF;XDEGNESPNRHUNT-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141770;MM141770;C#CC(C)CC(N)CC;AOROKOIIMAUEEW-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141771;MM141771;C#CC(C)CC(N)CF;LZGHCMSFRBHLOX-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141772;MM141772;C#CC(N)CC(N)CO;AUTYPXVWUXQMBW-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141773;MM141773;C#CC(N)CC(N)CF;GMQWQPBXCKQTLF-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141774;MM141774;C#CC(O)CC(N)CN;QTOGYHVEJMITEZ-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141775;MM141775;C#CC(O)CC(N)CO;NRHQSOMCDWMFSY-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141776;MM141776;C#CC(O)CC(N)CF;DFCVMLZWDAHWRK-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141777;MM141777;C#CC(F)CC(N)CC;KEAWZGWEYDIOSQ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141778;MM141778;C#CC(F)CC(N)CN;ZAQRIOAOZMWCDF-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141779;MM141779;C#CC(F)CC(N)CF;AHYCPOARDFWCAW-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141780;MM141780;O=CNC=NCCC=CF;RVHIJWBZTXOVFW-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141781;MM141781;C#CC(N)CC(O)CN;TXGDIUYQYMAEMH-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141782;MM141782;C#CC(N)CC(O)CO;LJIJRPUORQMOSU-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141783;MM141783;C#CC(N)CC(O)CF;OLVQPUATNMQHRN-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141784;MM141784;C#CC(O)CC(O)CN;ZCBUACXLJAEYCR-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141785;MM141785;C#CC(O)CC(O)CO;PHKIWGRWURFWPE-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141786;MM141786;C#CC(O)CC(O)CF;CXXSARZWSUUXAB-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141787;MM141787;C#CC(F)CC(O)CC;XTNMYNUTSIMXSB-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141788;MM141788;C#CC(C)CC(F)CC;YBBBRMNGBBEHCA-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141789;MM141789;C#CC(C)CC(F)CN;CMGZWMQXRCYITG-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141790;MM141790;C#CC(C)CC(F)CF;JTFFTLHXVFQZMY-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141791;MM141791;C#CC(N)CC(F)CN;NNQUKQJQAUNMRU-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141792;MM141792;C#CC(O)CC(F)CC;JRLPOYZPWQTWQG-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141793;MM141793;C#CC(O)CC(F)CN;XSVOWJCFJONORN-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141794;MM141794;C#CC(O)CC(F)CO;BDJYNOSUHNSFIY-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141795;MM141795;C#CC(F)CC(F)CC;RMORJFBSVWMPKV-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141796;MM141796;C#CC(F)CC(F)CN;ZWZCOSQICZIHFZ-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141797;MM141797;C#CC(F)CC(F)CF;VKQZYVONJKFNTC-UHFFFAOYSA-N;136.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141798;MM141798;C#CC(C)CC(C)NC;MOLVEDCLFLOPAG-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141799;MM141799;C#CC(F)CC(C)NC;CUNAUBIIHLGTNG-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141800;MM141800;C#CC(C)CC(C)OC;SECSTNQMKDVLSU-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141801;MM141801;C#CC(F)CC(C)OC;UWZTTXQVSRRBOJ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141802;MM141802;C#CC(C)NC(C)CC;AKNGMZUBCKQXRP-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141803;MM141803;C#CC(C)NC(C)CN;UGEDWQMIWLAJMZ-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141804;MM141804;C#CC(C)OC(C)CC;GPYUMGMZYLNFIC-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141805;MM141805;C#CC(C)OC(C)CF;PFXMVHSJNPOTFD-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141806;MM141806;C#CC(C)OC(C)OC;YPKUPCZEQQLLHE-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141807;MM141807;C#CC(C)CN(C)CC;WYTPVZJDUNZQJO-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141808;MM141808;C#CC(N)CN(C)CC;DPPJNQKMPUXSLO-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141809;MM141809;C=CC(C)CC(C)C=C;IILUPZLCNCGGHZ-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141810;MM141810;C=CC(C)CC(C)C=O;UPFAZXHPUFNFCG-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141811;MM141811;C=CC(C)CC(C)C#N;FSSSOGMFRLYERQ-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141812;MM141812;CC(C=O)CC(C)C=O;RQYNDQAKDFMHAQ-UHFFFAOYSA-N;128.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141813;MM141813;CC(C#N)CC(C)C=O;RTFZBYPAMQLSSL-UHFFFAOYSA-N;125.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141814;MM141814;C=CC(C)CC(N)C=C;WQKRGWXWHSJUHK-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141815;MM141815;C=CCC#CCNC=NO;VDLGBODGRHNURO-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141816;MM141816;C=CC(C)CC(O)C#N;SVEAMUSQVOANOX-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141817;MM141817;C=CC(O)CC(C)C#N;YYVIGYOUGZPSNV-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141818;MM141818;CC(C=O)CC(O)C=O;JAPVXVVZLSWJND-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141819;MM141819;CC(C=O)CC(O)C#N;GHQWNAWQVKXUEU-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141820;MM141820;C=CC(C)CC(F)C=C;UMOQQVCFRXRCEE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141821;MM141821;C=CC(C)CC(F)C=O;FEISXEDOGXGVDP-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141822;MM141822;C=CC(C)CC(F)C#N;APPKKRSRYCEUBM-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141823;MM141823;C=CC(F)CC(C)C=O;DRIRWRUZYUNDSZ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141824;MM141824;C=CC(F)CC(C)C#N;AWGMYIUDBBGCRQ-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141825;MM141825;CC(C=O)CC(F)C#N;QFQAKPNSPXEHOL-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141826;MM141826;CC(C#N)CC(F)C#N;MXVRICPLWUUYJC-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141827;MM141827;C=CC(N)CC(O)C=C;WWMMXAZBNNFYLM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141828;MM141828;C=CC(N)CC(F)C=C;PYCKCVXCLBVGJR-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141829;MM141829;O=CC(O)CC(O)C=O;QLPFRXDEAHXTLK-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141830;MM141830;N#CC(O)CC(O)C=O;VHXBORYAKXGBHW-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141831;MM141831;C=CC(O)CC(F)C=C;XKBBQWZPOUNNHD-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141832;MM141832;C=CC(O)CC(F)C=O;XSHHJJJHDLDPAQ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141833;MM141833;C=CC(F)CC(O)C=O;DGVSBNSKNWWJFP-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141834;MM141834;C=CC(F)CC(O)C#N;ALLRPPLZQWCLRT-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141835;MM141835;C=CC(F)CC(F)C=C;YFDJQYCWTBMHIX-UHFFFAOYSA-N;132.15;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141836;MM141836;N#CC(F)CC(F)C#N;IHKNIBGTQOQQOH-UHFFFAOYSA-N;130.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141837;MM141837;C=CC(=NO)C(=C)C1CC1;VVXXEOGFISNWOM-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141838;MM141838;C=CC(C)OC(C)C=C;OVYOJUIHDBHLFM-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141839;MM141839;C=CC(C)OC(C)C=O;VAXGUPLYWKJLHH-UHFFFAOYSA-N;128.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141840;MM141840;C=CC(C)OC(C)C#N;FNEVKZXFJZMQCX-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141841;MM141841;C=CC(C)CN(C)C=N;MPQGSOXUHAVNFI-UHFFFAOYSA-N;126.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141842;MM141842;C=CC(C)CN(C)C=O;UVXYFZOUPRFHEH-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141843;MM141843;CC(C=O)CN(C)C=N;HPGSCRUWIBTDCU-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141844;MM141844;N=CN(N)C(=O)NN;UQJHEIONVMGHIR-UHFFFAOYSA-N;117.11;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141845;MM141845;CC(C=O)CN(O)C=N;QDHXYXKTAOSTKB-UHFFFAOYSA-N;130.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141846;MM141846;CC(C=O)CN(O)C=O;XKDLWLREIUNTGE-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141847;MM141847;C=CC(N)CN(C)C=N;LQKMDSAMFIVDSM-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141848;MM141848;C=CC(N)CN(C)C=O;ZORVNJDVDFDJKL-UHFFFAOYSA-N;128.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141849;MM141849;C=CC(O)CN(C)C=O;ZQDMVSADCVXPTC-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141850;MM141850;CN(C=N)CC(O)C=O;INRGNKFNTPVARG-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141851;MM141851;CN(C=O)CC(O)C=O;MFXRIUUWZQIZKG-UHFFFAOYSA-N;131.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141852;MM141852;CN(C=O)CC(O)C#N;SMTYLNLSWLYFBO-UHFFFAOYSA-N;128.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141853;MM141853;C=CC(O)CN(N)C=N;KZLRVCQJXWCZFX-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141854;MM141854;C=CN(C)C(C)=NO;VIVXTHYOBJTCHP-UHFFFAOYSA-N;114.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141855;MM141855;C=CC(F)CN(C)C=N;UWYFUNPZUGAROM-UHFFFAOYSA-N;130.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141856;MM141856;C=CC(F)CN(C)C=O;WNGIANXXVAPCNG-UHFFFAOYSA-N;131.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141857;MM141857;CN(C=N)CC(F)C#N;HDHQMUGCTWBODF-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141858;MM141858;CN(C=O)CC(F)C=O;KVMFFXGDZXIXFN-UHFFFAOYSA-N;133.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141859;MM141859;C=CC(C)CN(C)N=C;PGSIUELSWHLKKJ-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141860;MM141860;C=NOCC(=O)NN;VMGRDAWUZHLBKF-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141861;MM141861;C=NN(C)CC(C)C#N;UPZOLTZVCUKEON-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141862;MM141862;CC(O)(C=NN)C(N)=O;TXJBTLVTWAONAS-UHFFFAOYSA-N;131.14;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141863;MM141863;CC(N)=CC(=NO)NN;FAXIVKBAHTYOQR-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141864;MM141864;CCCCN(N)C=NO;WSAMDSBZJLGJFS-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141865;MM141865;CC(C=O)NN(C)C=N;ZZFRSOFZHJDLIX-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141866;MM141866;CCCC=CC(C)=NO;QVTJXZDCBPVPIF-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141867;MM141867;CC(C=O)ON(C)C=O;JLRZPLAZQJLBLG-UHFFFAOYSA-N;131.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141868;MM141868;CC(C#N)ON(C)C=O;VMAFBPONMKTGCS-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141869;MM141869;C#CC(C)CC(C)C=C;OOONMKMBDKNZJJ-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141870;MM141870;C#CC(C)CC(C)C=O;NXMWEMFFLUGPAT-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141871;MM141871;C#CC(C)CC(C)C#N;DOQWLHHCMSDFFV-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141872;MM141872;C#CC(N)CC(C)C=C;CZMXEOYGZTYZKY-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141873;MM141873;C#CC(O)CC(C)C=C;YTMDGVYCYPOENI-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141874;MM141874;C#CC(F)CC(C)C=C;JXECWIZIEXOETP-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141875;MM141875;C#CC(F)CC(C)C=O;XODJAKPJPCLXOX-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141876;MM141876;C#CC(F)CC(C)C#N;GFWXMWXWSLAURD-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141877;MM141877;C#CC(C)CC(N)C=C;UHQYLUMCRMRUIE-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141878;MM141878;C#CC(F)CC(N)C=C;DDMYXXFJSCWTAH-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141879;MM141879;C#CCC(O)C(=O)NN;RIZZCWDMWAOPKE-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141880;MM141880;C#CC(C)CC(O)C#N;JDMSGUONZYYNES-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141881;MM141881;C#CC(N)CC(O)C=C;LEIJDHWISNNNQP-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141882;MM141882;C#CC(O)CC(O)C=C;AXBXGXIOSZBYLP-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141883;MM141883;C#CC(O)CC(O)C=O;OVWYFAXRCFACAK-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141884;MM141884;C#CC(O)CC(O)C#N;IYELTAHHNVKHBK-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141885;MM141885;C#CC(C)CC(F)C=C;LGMRMQPLDAKNLE-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141886;MM141886;C#CC(C)CC(F)C=O;ZVSFQIAXMRAZQQ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141887;MM141887;C#CC(C)CC(F)C#N;XBYIHHUHKMYMGH-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141888;MM141888;C#CC(F)CC(F)C=C;SSJNGKPMIAZTCQ-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141889;MM141889;C#CC(F)CC(F)C#N;QBAUWXYKIYISTM-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141890;MM141890;C#CC(C)OC(C)C=C;ALIHCEKUQBYQOO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141891;MM141891;C#CC(C)OC(C)C=O;ATDMIRNYOASBSA-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141892;MM141892;C#CC(C)OC(C)C#N;MNEACMBGRADTHT-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141893;MM141893;C#CC(C)CN(C)C=N;RTQFCRVUEPIRGD-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141894;MM141894;C#CC(C)CN(C)C=O;WEOFGFORGZUJMX-UHFFFAOYSA-N;125.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141895;MM141895;C#CC(N)CN(C)C=N;WJAZXTUDGBHJOP-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141896;MM141896;C#CC(O)CN(C)C=N;ZVSDBPXPWPFMKM-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141897;MM141897;C#CC(O)CN(C)C=O;SUHRFBAIFGKPGK-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141898;MM141898;C#CC(C)CN(N)C=N;IWYKIDKCXXXIRR-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141899;MM141899;C#CC(O)CN(N)C=N;VMQTWKCAXQUYGX-UHFFFAOYSA-N;127.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141900;MM141900;C#CC(F)CN(N)C=N;JUVJHFYLKWUYPZ-UHFFFAOYSA-N;129.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141901;MM141901;C#CC(C)CN(C)N=C;XOSOPJNJQQDZSL-UHFFFAOYSA-N;124.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141902;MM141902;C#CC(F)CN(C)N=C;SHBJZWKZXDQMTF-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141903;MM141903;C#CC(C)NN(C)C=O;VAKMYDXCAKXTSE-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141904;MM141904;C#CC(C)CC(C)C#C;GVRPKIPGXOPDAP-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141905;MM141905;C#CC(C)CC(N)C#C;OLBNSPSOMGWXKJ-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141906;MM141906;C#CC(C)CC(O)C#C;IIKMQELWXGUKGV-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141907;MM141907;C#CC(C)CC(F)C#C;DHVFIYKOGOIYEV-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141908;MM141908;C#CC(N)CC(F)C#C;PHMXTPBAJAOTHL-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141909;MM141909;C#CC(O)CC(F)C#C;XPRGYIVEUBIURH-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141910;MM141910;C#CC(F)CC(F)C#C;WMLUJQMOXSWTSK-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141911;MM141911;C#CC(C)OC(C)C#C;ZPZUCNPVPMCMFT-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141912;MM141912;C=C(CC)CC(C)CC;PODMRPKNOJTVSG-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141913;MM141913;C=C(CN)CC(C)CC;PIKVGELXLAEYDB-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141914;MM141914;C=C(CO)CC(C)CC;WWYGGSBAHRKLPG-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141915;MM141915;C=C(CF)CC(C)CC;HFOPSGUOKLIROM-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141916;MM141916;C=C(CC)CC(C)CN;MSUXSAIQVXBYTN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141917;MM141917;Cc1c(N)nc(O)n1N;YQSWNHWUJZDAMY-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141918;MM141918;C=C(CN)CC(C)CO;PGVJRCIEBZRNJW-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141919;MM141919;C=C(CC)CC(C)CF;PKYXBSQPQDAIDZ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141920;MM141920;C=C(CN)CC(C)CF;PEPUOJRYHSUZJZ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141921;MM141921;CCC(=O)CC(C)CC;PSBKJPTZCVYXSD-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141922;MM141922;CCC(C)CC(=O)CF;KECCEFCZHSHDJC-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141923;MM141923;CC(CF)CC(=O)CF;OSTUPDHBXKFWEB-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141924;MM141924;C=C(CC)CC(N)CC;KTWJTAZWXVEXJW-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141925;MM141925;C=C(CN)CC(N)CC;OPGAUFLOPDXDRY-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141926;MM141926;C=C(CF)CC(N)CC;JCNQISWOAILVBI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141927;MM141927;C=C(CN)CC(N)CN;GDQZJOCQSZISNH-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141928;MM141928;C=C(CO)CC(N)CN;RMQIDUQHFPWXNA-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141929;MM141929;C=C(CF)CC(N)CN;AFZNAGAVKIYSAL-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141930;MM141930;C=C(CO)CC(N)CO;XBORGLCMYNSFLE-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141931;MM141931;C=C(CC)CC(N)CF;PDZAEEZOWBUQQY-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141932;MM141932;C=C(CN)CC(N)CF;ARHMPFDECSHDNZ-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141933;MM141933;CC(=NO)NCC1CO1;ARPLVCUYQQQJHD-UHFFFAOYSA-N;130.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141934;MM141934;C=C(CF)CC(O)CC;XCCUWYJWDGCYLQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141935;MM141935;C=C(CN)CC(O)CN;CMAXYCGGYSLPGP-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141936;MM141936;C=C(CO)CC(O)CN;DNCVHHJGDZKQPU-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141937;MM141937;C=C(CC)CC(O)CO;HSTSGPGNDHVQKD-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141938;MM141938;C=C(CN)CC(O)CO;HYFVIHKEEFPTTL-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141939;MM141939;C=C(CO)CC(O)CO;LFRMJXNWRSMHJO-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141940;MM141940;C=C(CC)CC(O)CF;NIPSOFZRMPARME-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141941;MM141941;C=C(CN)CC(O)CF;NEHOZVKBERFMAK-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141942;MM141942;C=C(CO)CC(O)CF;ABHWPSJPIWGWRJ-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141943;MM141943;CCC(=O)CC(O)CC;NMINIWNPJHHYFW-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141944;MM141944;CCC(=O)CC(O)CO;YEHSOHVSOJHCML-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141945;MM141945;O=C(CO)CC(O)CO;KKLZOXZZESQNKR-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141946;MM141946;O=C(CO)CC(O)CF;FPLMVSOAAJWTQJ-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141947;MM141947;O=C(CF)CC(O)CF;XFPFBNCADPXSIF-UHFFFAOYSA-N;138.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141948;MM141948;C=C(CC)CC(F)CC;NNINKMXPMWIVQC-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141949;MM141949;C=C(CF)CC(F)CC;CUBUNORCOZQRNP-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141950;MM141950;C=C(CC)CC(F)CN;RFMVECXJOXVUCY-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141951;MM141951;C=C(CN)CC(F)CN;LSVWNXFJTYNLMM-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141952;MM141952;C=C(CC)CC(F)CO;ZQSVHXSCMCNIKA-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141953;MM141953;C=C(CO)CC(F)CO;HEBVFIMIBRRAGU-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141954;MM141954;C=C(CC)CC(F)CF;WWKAEJKQMXRFSK-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141955;MM141955;C=C(CF)CC(F)CF;FTUYCPLJYKMIFO-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141956;MM141956;CCC(=O)CC(F)CC;AQWUJEWMSPIJAO-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141957;MM141957;O=C(CO)CC(F)CO;DGSNTYODEIWMCK-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141958;MM141958;O=C(CF)CC(F)CO;XDANWECKPYLJHV-UHFFFAOYSA-N;138.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141959;MM141959;CCC(=O)CC(F)CF;CYRDPNWFYZQINM-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141960;MM141960;O=C(CO)CC(F)CF;BMNVRTJLHZSEGH-UHFFFAOYSA-N;138.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141961;MM141961;CCC(C)CC(=N)NC;FQPMLYBPRIVUNM-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141962;MM141962;CCC(C)CC(=N)NN;FBEXHBKDAXMRKH-UHFFFAOYSA-N;129.21;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141963;MM141963;CCC(C)CC(=N)NO;YSMYOPBWVYWHMP-UHFFFAOYSA-N;130.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141964;MM141964;CNC(=N)CC(C)CO;ZJKOHWYQZAZUTG-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141965;MM141965;CC(CO)CC(=N)NO;ZFISIYYZATXAEN-UHFFFAOYSA-N;132.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141966;MM141966;CC(=O)NN(C)C(=N)C#N;SDNMQNQDSRVPSA-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141967;MM141967;CNC(=O)CC(C)CN;VFWRXSWQXDIKNF-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141968;MM141968;CC(CN)CC(=O)NO;WKGXOCPGKANIQJ-UHFFFAOYSA-N;132.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141969;MM141969;CC=CC(=O)NN=CCC;QEWZEIXOCLVRBU-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141970;MM141970;CC(CO)CC(=O)NO;KJHJNTXPFAMVEU-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141971;MM141971;CCC(N)CC(=N)NC;MPTRYTHYRPZKLX-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141972;MM141972;CNC(=N)CC(N)CN;ZZNFNOOBBLWXMI-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141973;MM141973;N=C(CC(N)CN)NO;OTCOSUQIVCJUFA-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141974;MM141974;N=C(CC(N)CO)NO;NNLQMTUFLDCFSB-UHFFFAOYSA-N;133.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141975;MM141975;N=C(CC(N)CF)NO;BQOKFTKYEYYXNZ-UHFFFAOYSA-N;135.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141976;MM141976;CCC(N)CC(=O)NO;USGKLTWBZDDDBA-UHFFFAOYSA-N;132.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141977;MM141977;CNC(=O)CC(N)CN;TUUJXKYOYBEREK-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141978;MM141978;NCC(N)CC(=O)NO;NIRWLYXVWSMPBE-UHFFFAOYSA-N;133.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141979;MM141979;CNC(=O)CC(N)CO;QZLIUBGMBRYFCI-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141980;MM141980;CNC(=N)CC(O)CN;GKHMGYRYPIQJNV-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141981;MM141981;N=C(CC(O)CN)NO;QJIWIUTZZSSBHT-UHFFFAOYSA-N;133.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141982;MM141982;CNC(=N)CC(O)CO;XRVTUPXVIPKQTN-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141983;MM141983;N=C(CC(O)CO)NN;KQXXEUXDCFSQBX-UHFFFAOYSA-N;133.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141984;MM141984;N=C(CC(O)CO)NO;RBCIDLLNWIHYPK-UHFFFAOYSA-N;134.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141985;MM141985;CNC(=N)CC(O)CF;PNFGJOYRKBLSDK-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141986;MM141986;CCC(O)CC(=O)NC;USNHTAVIGGNSKZ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141987;MM141987;CCC#CCN(C)C=NO;LWURIJCNHUBGCN-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141988;MM141988;CCC(O)CC(=O)NO;SBUPRCWSKUHYBT-UHFFFAOYSA-N;133.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141989;MM141989;CNC(=O)CC(O)CN;ZITJXGUULDUXGF-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141990;MM141990;NCC(O)CC(=O)NO;IMPXAYGHVCQWNM-UHFFFAOYSA-N;134.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141991;MM141991;CNC(=O)CC(O)CO;VDOUHEZNWJOHHU-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141992;MM141992;CNC(=O)CC(O)CF;OANONTPPTVFJQK-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141993;MM141993;O=C(CC(O)CF)NO;DPJJAICUPXMGQW-UHFFFAOYSA-N;137.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141994;MM141994;CCC(F)CC(=N)NC;NFQHYEYDLKBPAC-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141995;MM141995;CNC(=N)CC(F)CN;NXLFZRSYPIGDHE-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141996;MM141996;N=C(CC(F)CN)NO;BFEGZJHZMAOXGS-UHFFFAOYSA-N;135.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141997;MM141997;CNC(=N)CC(F)CO;DQYLXRWEVYUJER-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141998;MM141998;N=C(CC(F)CO)NO;QTUJRPQYEQSOPH-UHFFFAOYSA-N;136.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM141999;MM141999;CCC(F)CC(=O)NO;CTLMTIPCRJUUJY-UHFFFAOYSA-N;135.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142000;MM142000;O=C(CC(F)CO)NO;QUIKGKHELXMBLD-UHFFFAOYSA-N;137.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142001;MM142001;CNC(=O)CC(F)CF;SQADGXLXJKPSOE-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142002;MM142002;C=C(CC(C)CC)OC;HTYRPTMMHYDIIY-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142003;MM142003;C=C(CC(C)CN)OC;GEYPIYYVVPMELC-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142004;MM142004;C=C(CC(C)CO)OC;BVHQILHXBBYEMT-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142005;MM142005;CCC(C)CC(=O)OC;FHASOOYJUZKVFW-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142006;MM142006;C=C(CC(N)CC)OC;DEYUATVWQCPUST-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142007;MM142007;C=C(CC(N)CN)OC;DNLBTTPFOZMBQH-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142008;MM142008;COC(=O)CC(N)CN;IGLZBZFAUUBWGT-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142009;MM142009;C=C(CC(O)CC)OC;WRMMPAIPMVAMTL-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142010;MM142010;C=C(CC(O)CO)OC;CKBPXEVUVBMORX-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142011;MM142011;C=C(CC(O)CF)OC;KQCPJJKXHMFLAU-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142012;MM142012;COC(=O)CC(O)CN;QUTSKIWJUHDULC-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142013;MM142013;COC(=O)CC(O)CO;KCKWOJWPEXHLOQ-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142014;MM142014;COC(=O)CC(O)CF;SDSISQOTKSXENM-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142015;MM142015;C=C(CC(F)CC)OC;YPNOWOKIADAQLP-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142016;MM142016;C=C(CC(F)CO)OC;NSYYKQGSVMCOQL-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142017;MM142017;C=C(CC(F)CF)OC;FUOQXBZIDJXSRK-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142018;MM142018;COC(=O)CC(F)CN;XMBJCPHOINMJKM-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142019;MM142019;COC(=O)CC(F)CO;FKOKEBSHWAKPJX-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142020;MM142020;C=C(CF)CC(C)NC;VJUGDQZVCLYXEN-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142021;MM142021;CCC(=O)CC(C)NC;LHPIOFKZFCJDMW-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142022;MM142022;CNC(=N)CC(C)NC;MDMOUKYWWRXLKJ-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142023;MM142023;CNC(C)CC(=N)NN;ZYZLUZSUGSNERG-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142024;MM142024;CNC(=O)CC(C)NC;ZPVCSLQZDVRAPF-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142025;MM142025;CNC(C)CC(=O)NN;JGMVBFDNHFSHAR-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142026;MM142026;CNC(C)CC(=O)NO;JFEAXDZGKMYQID-UHFFFAOYSA-N;132.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142027;MM142027;C=C(CC(C)NC)OC;BRNZSKXAMRTJEV-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142028;MM142028;CNC(C)CC(=O)OC;HMEOAJAQJYMXBL-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142029;MM142029;C=C(CC)CC(C)OC;ZTFHVZFJIHSKSV-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142030;MM142030;C=C(CN)CC(C)OC;STNXAWPTHBZOKQ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142031;MM142031;C=C(CO)CC(C)OC;SFGPKVOUPAGRAR-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142032;MM142032;C=C(CF)CC(C)OC;VACPDZRINFEAPB-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142033;MM142033;CCC(=O)CC(C)OC;QGCPPYLQSZAGQD-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142034;MM142034;COC(C)CC(=N)NN;GTLHHSOUSGKRFN-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142035;MM142035;COC(C)CC(=N)NO;CVIBTMGIIBCAOF-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142036;MM142036;C=NNC(=O)C(=C)CCO;GPNBOTNVOHLFKZ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142037;MM142037;C=C(CC(C)OC)OC;IDLATSFUXJNBJM-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142038;MM142038;COC(=O)CC(C)OC;NRMQYDNCUDPVAI-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142039;MM142039;CCC(=N)NC(C)CC;FMGZHFZSJUUHKW-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142040;MM142040;CC(CN)NC(=N)CN;JLFDTYMEHPQBGK-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142041;MM142041;CC(CN)NC(=N)CO;NORKZWUSDNENGV-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142042;MM142042;CC(CO)NC(=N)CN;DQAJDXOGYHERDB-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142043;MM142043;CC(CO)NC(=N)CO;VLJJFHCRNKHWHV-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142044;MM142044;CCCN(C=NO)N(C)C;ZKCBXKSXRJAVEW-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142045;MM142045;CCC(C)NC(=O)CF;KUPUBDXJHATWBB-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142046;MM142046;CCC(=O)NC(C)CN;WVGIOKZDNDXWKD-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142047;MM142047;CC(CN)NC(=O)CN;SSVFPRZKWWJION-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142048;MM142048;CC(CN)NC(=O)CO;LEYRDLVFPHCGPX-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142049;MM142049;CCC(=O)NC(C)CO;IFIHLLAPWMICSC-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142050;MM142050;CC(CO)NC(=O)CO;KFBBVAWNPOAIMH-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142051;MM142051;CC(CF)NC(=O)CO;SKKMWDCITQGGFV-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142052;MM142052;CCC(C)NC(=N)NC;MWDDWUBUYPXKDW-UHFFFAOYSA-N;129.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142053;MM142053;CNC(=N)NC(C)CN;JZQQCXPWVBXDKW-UHFFFAOYSA-N;130.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142054;MM142054;CC(CN)NC(=N)NO;RQDAYMJWDXLSQL-UHFFFAOYSA-N;132.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142055;MM142055;CC(CO)NC(=N)NN;IPMAILAYAXZASH-UHFFFAOYSA-N;132.17;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142056;MM142056;CC(CO)NC(=N)NO;GNZICPOPRPFDIO-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142057;MM142057;CNC(=N)NC(C)CF;PCFCTCNQWMSGKI-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142058;MM142058;CC(CF)NC(=N)NN;CPWRXVOGVWRLFY-UHFFFAOYSA-N;134.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142059;MM142059;CCC(C)NC(=O)NC;RCRZYXFYHZOCJQ-UHFFFAOYSA-N;130.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142060;MM142060;CCC(C)C=CC(C)=NO;RJBKCSUEGVIELF-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142061;MM142061;CNC(=O)NC(C)CN;WGKZYKDXKYQMMG-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142062;MM142062;CC(CN)NC(=O)NO;AEYUICBWWXAKMP-UHFFFAOYSA-N;133.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142063;MM142063;CNC(=O)NC(C)CO;HRWTWPIAWYYKGG-UHFFFAOYSA-N;132.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142064;MM142064;CC(F)CNC(=NO)NO;KADJRFNORDEHJI-UHFFFAOYSA-N;151.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142065;MM142065;CC(CO)NC(=O)NO;ZKTNBFFYOBMWJM-UHFFFAOYSA-N;134.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142066;MM142066;CC(CF)NC(=O)NO;FKGAVVRXWLHVPN-UHFFFAOYSA-N;136.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142067;MM142067;COC(=N)NC(C)CO;NFLAWTRBWPLDRL-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142068;MM142068;CCC(C)NC(=O)OC;OZXBLDXVIIDKNA-UHFFFAOYSA-N;131.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142069;MM142069;COC(=O)NC(C)CO;RXFVDPLFYFUMOV-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142070;MM142070;C=C(CC)OC(C)CC;TWICNMASFSZHIH-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142071;MM142071;C=C(CN)OC(C)CC;ASCWGJQAFDGIQB-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142072;MM142072;C=C(CO)OC(C)CC;KZJBJKRCAIFLQY-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142073;MM142073;C=C(CC)OC(C)CN;RIAZHCZLMCBGKY-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142074;MM142074;C=C(CC)OC(C)CO;FMCBWGNEHJMQQF-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142075;MM142075;C=C(CF)OC(C)CO;PEPVQECVLUFLLP-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142076;MM142076;C=C(CC)OC(C)CF;FDLBBXZWNSLGPE-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142077;MM142077;C=C(CO)OC(C)CF;SARSXGUKUCRZDD-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142078;MM142078;CCC(=O)OC(C)CC;VPSLGSSVPWVZFG-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142079;MM142079;CCC(C)OC(=O)CF;BCPLWNWBVHBKHJ-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142080;MM142080;CC(CN)OC(=O)CN;KPLQIMOCOHANLO-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142081;MM142081;CC(CN)OC(=O)CF;GSYGCEBFTAQGSP-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142082;MM142082;CC(CO)OC(=O)CF;KPUAYWOTMARNRE-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142083;MM142083;CC(CF)OC(=O)CF;FWIGQIHFJKPCTD-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142084;MM142084;CCC(C)OC(=N)NC;SIHUTVSLNOLJMC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142085;MM142085;CNC(=N)OC(C)CN;XMDGPOVPIWHQBG-UHFFFAOYSA-N;131.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142086;MM142086;CC(CN)OC(=N)NO;JJPDZJQSALYDDB-UHFFFAOYSA-N;133.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142087;MM142087;CNC(=O)OC(C)CO;RWOQAYBMSNFOCH-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142088;MM142088;CCC(C)OC(=O)OC;HDRNVUVZUTULFR-UHFFFAOYSA-N;132.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142089;MM142089;C=C(CC)OC(C)OC;QBOLKZIKVQUIMA-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142090;MM142090;C=C(CF)OC(C)OC;VHUGFMNUDSJCPT-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142091;MM142091;CCC(=O)OC(C)OC;BDQPVBVYLQZZAM-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142092;MM142092;COC(C)OC(=O)CO;YBAUXIRONRJAOL-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142093;MM142093;C=C(CC)CN(C)CC;IXROBGDOAMFJSU-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142094;MM142094;C=C(CF)CN(C)CC;OTYSKXBMYCWOHK-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142095;MM142095;CCN(C)CC(=N)NN;HAFXBHPCUAIGHN-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142096;MM142096;CCN(C)CC(=N)NO;ZKSABLHWCRGLIJ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142097;MM142097;C=C(CN(C)CC)OC;YCDPHQMBPUEIOL-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142098;MM142098;CCN(C)NC(=N)CN;VCKVSVBFAFHAKU-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142099;MM142099;CCN(C)NC(=N)CO;JVLICCMXSITGCM-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142100;MM142100;NC(=O)CNC(=NO)NO;IIJDACQHINFJHR-UHFFFAOYSA-N;148.12;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142101;MM142101;CCN(C)NC(=O)CO;RWNSXYDDAKJQOP-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142102;MM142102;CCN(C)NC(=N)NN;NFIKSNGXIRKQLN-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142103;MM142103;C=CC(=C)CC(C)CC;IAITYYHLVLLJRD-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142104;MM142104;C=C(C=O)CC(C)CC;HSZAOWVRIDREBV-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142105;MM142105;C=C(C#N)CC(C)CC;MRALMOYRHRMDSG-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142106;MM142106;C=CC(=C)CC(C)CN;IKCGGSGIEUATHO-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142107;MM142107;C=CCCC(=C)NC=NO;WMMRHVMOVVAROP-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142108;MM142108;N=C(NCCO)C(=O)NN;MUKQAXBIQPMUOM-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142109;MM142109;C=C(C#N)CC(C)CF;PTYSZIGCLDIIQR-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142110;MM142110;C=CC(=O)CC(C)CC;GBDSVWZDEWJBAM-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142111;MM142111;CCC(C)CC(=O)C=O;JIYNDDQGTACPMH-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142112;MM142112;CCC(C)CC(=O)C#N;WTIMSFNMGXCXPW-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142113;MM142113;CC(CO)CC(=O)C=O;HRLYJIZBPJLIHI-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142114;MM142114;C=CC(=C)CC(N)CC;NWBWXHLSWJWEGG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142115;MM142115;C=CC(=C)CC(N)CF;HUVBPUMYUQXKBA-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142116;MM142116;C#CCOC(=C)C(=O)NN;SHWAYEVTKZMJKP-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142117;MM142117;C=C(C#N)CC(O)CC;JQLQNUSHTSHAIZ-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142118;MM142118;C=C(C=O)CC(O)CO;LNTHCNZJELBKHQ-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142119;MM142119;C=C(C#N)CC(O)CO;GAYTVERCDDJKEV-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142120;MM142120;C=CC(=C)CC(O)CF;WBIDPLIJGPDLSP-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142121;MM142121;C=CC(=O)CC(O)CO;PFLHDAFFNDLZNP-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142122;MM142122;O=CC(=O)CC(O)CO;QFNWRVAZZYFNCF-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142123;MM142123;O=CC(=O)CC(O)CF;XMCOGEDTJLUYBO-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142124;MM142124;C=CC(=C)CC(F)CC;WKOPPXZGCWFRCA-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142125;MM142125;C=C(C=O)CC(F)CC;ISWXBBVFDZCDME-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142126;MM142126;C=C(C#N)CC(F)CC;MVMDNVKBBOXPLU-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142127;MM142127;C=CC(=C)CC(F)CN;KZFNELPOTCMZAM-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142128;MM142128;C=CC(=C)CC(F)CO;JLZYVKLAEBCHRW-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142129;MM142129;C=C(C#N)CC(F)CO;IYQIYDMPJMYWQA-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142130;MM142130;C=CC(=C)CC(F)CF;RICZFALXCCSIAP-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142131;MM142131;C=C(C=O)CC(F)CF;SVTZZQIDOOSZSA-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142132;MM142132;C=C(C#N)CC(F)CF;ASDJPAFDCURITE-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142133;MM142133;CCC(F)CC(=O)C#N;BZKGHJUUKWXQKK-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142134;MM142134;N#CC(=O)CC(F)CO;LGKVVFXBBCAWEN-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142135;MM142135;C=CC(=O)CC(F)CF;UQYZEJGESIFPDK-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142136;MM142136;C=CC(=C)CC(C)OC;CYYVDYILANEICU-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142137;MM142137;C=C(C=O)CC(C)OC;NZCYSZPBLGCAGB-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142138;MM142138;C=C(C#N)CC(C)OC;ISBCYLSEHDYFJV-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142139;MM142139;C=CC(=O)CC(C)OC;DFZHIMDXEROYSC-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142140;MM142140;C=CC(=N)NC(C)CC;HEDNJKYAXUXALI-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142141;MM142141;CCC(C)N=C(N)C=O;MWQABYGWCYGIGB-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142142;MM142142;C=CC(=N)NC(C)CO;LYVPLBXACUMFFY-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142143;MM142143;C=C(OC=NN)C(=O)NN;NFPQFPYMGOZZAH-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142144;MM142144;CC(CF)N=C(N)C=O;LXDCIGAXYNSWGF-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142145;MM142145;NN=COCOC(=O)NN;PVLFGHWCQADXDL-UHFFFAOYSA-N;148.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142146;MM142146;CCC(C)NC(=O)C#N;YFPMCKWFZVKDKI-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142147;MM142147;C=CC(=O)NC(C)CN;RTUCPCKYTVYUSV-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142148;MM142148;C=CC(=O)NC(C)CO;SLBRMKXLKNJAMV-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142149;MM142149;CC(CO)NC(=O)C=O;NERPXRJNCNPDOK-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142150;MM142150;CC(CO)NC(=O)C#N;MJZKRSKYOMLPKC-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142151;MM142151;C=CC(=C)OC(C)CC;IVZXZAZITGNTGZ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142152;MM142152;C=C(C=O)OC(C)CC;XWQXQHBHSQOEMY-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142153;MM142153;C=C(C#N)OC(C)CC;LBTOKJNASHPRNC-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142154;MM142154;C=CC(=C)OC(C)CN;VHLRGYPSCODWSZ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142155;MM142155;C=CC(=C)OC(C)CO;PSUBGAFXHDFKHT-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142156;MM142156;C=CC(=C)OC(C)CF;NRMRDBAJUYBCHO-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142157;MM142157;C=C(C=O)OC(C)CF;YSKQNFXFGLRDJA-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142158;MM142158;C=CC(=O)OC(C)CC;RNOOHTVUSNIPCJ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142159;MM142159;CCC(C)OC(=O)C#N;BDDINSMQWSZHQC-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142160;MM142160;C=CC(=O)OC(C)CN;HDNBNUOQMPXZCP-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142161;MM142161;C=CC(=O)OC(C)CO;UXYMHGCNVRUGNO-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142162;MM142162;C=CC(=C)OC(C)OC;RTPGZHMKLZMOIV-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142163;MM142163;C=C(C#N)OC(C)OC;NMTCGOPSXXAFOF-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142164;MM142164;C=CC(=O)OC(C)OC;DQJSFBCVEPQRLA-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142165;MM142165;C=CC(=C)CN(C)CC;FIZATBZLBXHZNL-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142166;MM142166;CNN=C(NO)C(O)C=O;WSGAXMFFUVBXFI-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142167;MM142167;CCN(C)NC(=O)C=O;OGYKUUDBLLZNHC-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142168;MM142168;C#CC(=C)CC(C)CC;AQRDDBCFGMYUCK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142169;MM142169;C#CC(=C)CC(C)CN;RJPUXENRUCULPT-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142170;MM142170;CCNNC(=NO)NC=O;JISXFUGPMVYQQD-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142171;MM142171;C#CC(=C)CC(C)CF;NFBJPDPAEFIHKC-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142172;MM142172;C#CC(=O)CC(C)CC;UVVWPEZPTVGAEL-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142173;MM142173;C#CC(=O)CC(C)CF;XFPMRCFUFCHAET-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142174;MM142174;C#CC(=C)CC(N)CC;CPKANVKGDKHPRB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142175;MM142175;C#CC(=C)CC(N)CN;YHXWTDIPHULWON-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142176;MM142176;C#CC(=C)CC(N)CO;ZSUZLKDUIWSSSH-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142177;MM142177;C#CC(=C)CC(N)CF;DIGAWYVXIQVUPQ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142178;MM142178;CCc1nc(C)n(O)c1C;TWKSUYDHSMOWLD-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142179;MM142179;C#CC(=C)CC(O)CN;KJUHXDIVJHLVIG-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142180;MM142180;C#CC(=C)CC(O)CO;DERZQDMMZMSQQS-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142181;MM142181;C#CC(=C)CC(O)CF;QVMQIKZRNNWGMH-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142182;MM142182;C#CC(=O)CC(O)CO;VWMCWFBALMHMTB-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142183;MM142183;C#CC(=C)CC(F)CC;UGCUPMRNIHOUDT-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142184;MM142184;C#CC(=C)CC(F)CN;BWOGWHUBURVQRY-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142185;MM142185;C#CC(=C)CC(F)CO;FXSLXLRVUAIKQD-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142186;MM142186;C#CC(=C)CC(F)CF;LVZWRAHCKNDQMB-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142187;MM142187;C#CC(=C)CC(C)OC;TVTUAASRBGRYGX-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142188;MM142188;C#CC(=O)CC(C)OC;YXNUCJPMIIRBDR-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142189;MM142189;C#CC(=N)NC(C)CC;GZXVNUOUGGOADI-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142190;MM142190;C#CC(=C)OC(C)CC;QKMCPCOEQTXNFK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142191;MM142191;C#CC(=C)OC(C)CN;IGVSEHJFPHMWFP-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142192;MM142192;C#CC(=C)OC(C)CO;UCBOBNFPCWUHRC-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142193;MM142193;C#CC(=C)OC(C)CF;XYMYHNCCMHUMGH-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142194;MM142194;C#CC(=O)OC(C)CC;AGGMCDRXCTZGMF-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142195;MM142195;C#CC(=C)OC(C)OC;WDGMANNJWDBGTM-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142196;MM142196;C#CC(=C)CN(C)CC;DZBMIOOJOOWMLY-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142197;MM142197;C=CC(C)CC(=C)CC;RLLADMZYPUQYGY-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142198;MM142198;C=CC(C)CC(=C)CN;WWGDFUXAROXOOW-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142199;MM142199;C=CC(C)CC(=C)CO;LAUORORZUBTPDG-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142200;MM142200;C=CC(C)CC(=C)CF;CYWCDWSJSWLOES-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142201;MM142201;C=C(CC)CC(C)C=O;WKRMGQJJDZWWIA-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142202;MM142202;C=C(CC)CC(C)C#N;ZCTQOVQWHNHATC-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142203;MM142203;C=C(CF)CC(C)C=O;MJNDLHZWPQRRTM-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142204;MM142204;C=C(CF)CC(C)C#N;CCMYYYKLBZKGEX-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142205;MM142205;C=CC(C)CC(=O)CC;MOIQHHABODSNNO-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142206;MM142206;CCC(=O)CC(C)C=O;PLSABGDIPYYWKF-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142207;MM142207;CCC(=O)CC(C)C#N;FZGKZSYMEWLCFT-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142208;MM142208;CC(C=O)CC(=O)CO;ZVKZZPJKCXMWCV-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142209;MM142209;CC(C=O)CC(=O)CF;FPCLIQCJYIXQQU-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142210;MM142210;C=CC(N)CC(=C)CC;WEHKRWAKTIJLGS-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142211;MM142211;C=CC(N)CC(=C)CF;KTFZJUCSUSLICH-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142212;MM142212;CNNC(=O)C(=NN)NC;YUUCDGXUSTWOQT-UHFFFAOYSA-N;145.17;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142213;MM142213;C=C(CC)CC(O)C=O;VRHLHNBSLAPYCJ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142214;MM142214;C=C(CC)CC(O)C#N;OHTSZUONNAIHBR-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142215;MM142215;C=C(CF)CC(O)C#N;NHYBAZWGIWLDOL-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142216;MM142216;C=CC(O)CC(=O)CF;HNOQUJKNCATOAD-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142217;MM142217;CCC(=O)CC(O)C#N;OVFQTASOLYYPRE-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142218;MM142218;O=CC(O)CC(=O)CO;FPGQBNTYHGMTRG-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142219;MM142219;N#CC(O)CC(=O)CO;LUINHYGBXUAPLV-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142220;MM142220;O=CC(O)CC(=O)CF;VZFOOBNDRHOFHJ-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142221;MM142221;C=CC(F)CC(=C)CC;WCZHVJHIEXBTDY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142222;MM142222;C=CC(F)CC(=C)CN;NWVDGWITPPRMEX-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142223;MM142223;C=CC(F)CC(=C)CO;VUZJQGRJANLSOA-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142224;MM142224;C=CC(F)CC(=C)CF;XOOPNXLKIXJFEF-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142225;MM142225;C=C(CC)CC(F)C=O;UKKOXIGONINCHY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142226;MM142226;C=C(CC)CC(F)C#N;SSVGPFZIEMIQGZ-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142227;MM142227;C=C(CF)CC(F)C=O;UTKREXGPUWPMLD-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142228;MM142228;C=CC(F)CC(=O)CC;YLKQGUOHWXBOSA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142229;MM142229;C=CC(F)CC(=O)CF;KQTCTELIJGCQSI-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142230;MM142230;CCC(=O)CC(F)C#N;BQJAVDKFFDGUBC-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142231;MM142231;C=CC(C)CC(=N)NC;LWOWEEKNTODFOW-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142232;MM142232;C=CC(C)CC(=N)NN;ZTPGAYWOYGVBEC-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142233;MM142233;C=CC(C)CC(=N)NO;UPAITACQEPQDMA-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142234;MM142234;CC(C=O)CC(=N)NO;HQXCZQPDKNAHKE-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142235;MM142235;CC(C#N)CC(=N)NO;VLQKKFMIYDZHOE-UHFFFAOYSA-N;127.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142236;MM142236;C#CC1C=CC(C#N)=C1N;UCPZOLKSWHYMKM-UHFFFAOYSA-N;130.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142237;MM142237;CC(C=O)CC(=O)NO;VPEBGHSOWXFWOO-UHFFFAOYSA-N;131.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142238;MM142238;C=CC(N)CC(=N)NC;ZPFPLDHRHOYCGB-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142239;MM142239;C=CC(N)CC(=N)NO;MNTIMGFBMYGRQV-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142240;MM142240;C=CC(N)CC(=O)NC;VUZBBDDOIJRXND-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142241;MM142241;C=CC(O)CC(=N)NN;RVRLASBQMULMSN-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142242;MM142242;CN=C(N)CC(O)C=O;BUMCRMCBMIOLSE-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142243;MM142243;CNC(=N)CC(O)C#N;ZORMDUCQYVSPTC-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142244;MM142244;CN(C=NO)CCO;WMSXWEACPUJYRU-UHFFFAOYSA-N;118.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142245;MM142245;N#CC(O)CC(=N)NO;PSFXYHWAVIQTPQ-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142246;MM142246;CC1=NOC(=O)C1N;IHVLVLLDAKEIDP-UHFFFAOYSA-N;114.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142247;MM142247;C=CC(O)CC(=O)NO;UCLOULBYWSQPFJ-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142248;MM142248;CNC(=O)CC(O)C=O;NLGBULVLOAGIHC-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142249;MM142249;O=CC(O)CC(=O)NO;FXTNOTDWHAMDMG-UHFFFAOYSA-N;133.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142250;MM142250;N#CC(O)CC(=O)NO;RWUDALAUHOUIBM-UHFFFAOYSA-N;130.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142251;MM142251;C=CC(F)CC(=N)NN;XOIJABNOYASYTN-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142252;MM142252;C=CC1CN1C=NO;RESKVWYULWGDHH-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142253;MM142253;C=CC(F)CC(=O)NC;UZAXPWVDYLLDHI-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142254;MM142254;CNC(=O)CC(F)C#N;VHFGTGPEOTUJQQ-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142255;MM142255;N#CC(F)CC(=O)NO;OTEBMRUEDMPBKU-UHFFFAOYSA-N;132.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142256;MM142256;C=CC(C)CC(=C)OC;BETBFZCAVORREN-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142257;MM142257;C=C(CC(C)C=O)OC;XNGRIJOYKVWGGM-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142258;MM142258;C=C(CC(C)C#N)OC;TVNIUULLAJVGCL-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142259;MM142259;C=CC(C)CC(=O)OC;LPKNFPRCXZELLI-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142260;MM142260;COC(=O)CC(C)C#N;IEMPSQXUZSEHEN-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142261;MM142261;C=CC(N)CC(=C)OC;NJWQROHXZDBHHE-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142262;MM142262;C=CC(O)CC(=C)OC;BXRRPLAJUGPVAQ-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142263;MM142263;C=C(CC(O)C=O)OC;CLOBYLZSHHQWKG-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142264;MM142264;COC(=O)CC(O)C=O;YCTDGEGLSOHXDR-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142265;MM142265;COC(=O)CC(O)C#N;KMESZUDGJYRGPP-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142266;MM142266;C=CC(F)CC(=C)OC;ZTBWWRDQBURGLM-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142267;MM142267;C=C(CC(F)C=O)OC;GICBLPVXICTAOT-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142268;MM142268;C=C(CC(F)C#N)OC;ZVDPAUSYJJVFDM-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142269;MM142269;C=CC(F)CC(=O)OC;KACAXJAXMNZBQO-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142270;MM142270;COC(=O)CC(F)C=O;TUEXCESZJMPHOS-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142271;MM142271;C=CC(C)NC(=N)CC;PICSVCGLQKQTKQ-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142272;MM142272;C=CC(C)NC(=N)CN;IJYHQBXIGGWDMM-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142273;MM142273;CC(C=O)N=C(N)CO;OJFMLQMPYBJZTG-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142274;MM142274;CN(N)C(=O)C(F)CF;FNJDTYZVYYGZNN-UHFFFAOYSA-N;138.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142275;MM142275;C=NNC(=O)C(=C)CC;QPFQVBBYXQMEGF-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142276;MM142276;C=CC(C)NC(=O)CO;OFIXJRHYSIVACF-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142277;MM142277;CCC(=O)NC(C)C=O;GZWOPFXGBVZIBD-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142278;MM142278;CC(C=O)NC(=O)CO;CDJRIVQKQMBVQY-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142279;MM142279;CNC(=N)NC(C)C=O;JEKTUHMPRVXXES-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142280;MM142280;CC(C=O)NC(=N)NO;DPKDCOONHTWEGL-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142281;MM142281;CNC(=NO)N(N)C=O;SJQBIPXVMPLDGW-UHFFFAOYSA-N;132.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142282;MM142282;CNC(=O)NC(C)C=O;UCTHXLPRIRKKAF-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142283;MM142283;CC(C=O)NC(=O)NO;ONCLGQCFLICSRU-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142284;MM142284;C=CC(C)NC(=O)OC;HKYRSGDXUUHECJ-UHFFFAOYSA-N;129.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142285;MM142285;C=CC(C)OC(=C)CC;QJIVRWCVXVSCML-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142286;MM142286;C=CC(C)OC(=C)CN;UGGYVOLRFZXQCG-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142287;MM142287;C=CC(C)OC(=C)CO;FFPUDTVUVRPNIY-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142288;MM142288;C=C(CC)OC(C)C=O;IYCPQVAMKVSHNN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142289;MM142289;C=C(CC)OC(C)C#N;KOMUNCAAGLPOMB-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142290;MM142290;C=CC(C)OC(=O)CC;LVRUXBYMNQLOGH-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142291;MM142291;C=CC(C)OC(=O)CO;LZWXQLVLDJOTEH-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142292;MM142292;C=CC(C)OC(=O)CF;YTOREGNFMJJWFF-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142293;MM142293;CCC(=O)OC(C)C=O;CZAGJAZQBNCZEC-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142294;MM142294;C=CC(C)OC(=N)NC;UVJAYLBZABNTGS-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142295;MM142295;CNC(=O)OC(C)C=O;BJQPCYWVULTUBD-UHFFFAOYSA-N;131.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142296;MM142296;CNC(=O)OC(C)C#N;UIOZQQUIQRQXPR-UHFFFAOYSA-N;128.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142297;MM142297;C=CC(C)OC(=O)OC;BESCXQSGTKXFKJ-UHFFFAOYSA-N;130.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142298;MM142298;C=C(CN)CN(C)C=N;IMAPFIOIBCRKPV-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142299;MM142299;C=C(CC)CN(C)C=O;WLPVTZXDWRAAFA-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142300;MM142300;C=C(CN)CN(C)C=O;WRJUCJCLZLQANM-UHFFFAOYSA-N;128.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142301;MM142301;C=C(CO)CN(C)C=O;ONHSVZQALBGJNM-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142302;MM142302;CCC(=O)CN(C)C=N;PURBGAKJNBRRQK-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142303;MM142303;CN(C=N)CC(=O)CO;METFJAUJXCLWJC-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142304;MM142304;CN(C=N)CC(=O)CF;FOQVBVYCWNCFLR-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142305;MM142305;N#CC1CN(C=O)C=N1;WAWIGAMDTAVDLU-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142306;MM142306;CN(C=O)CC(=O)CO;UWJQHIULOGFRBL-UHFFFAOYSA-N;131.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142307;MM142307;C=C(CO)CN(N)C=N;PZFXAQWDTBUMAB-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142308;MM142308;C=C(CC)CN(N)C=O;BLFGSADVAHUURU-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142309;MM142309;COc1cc(N=N)c[nH]1;VISTYIUYUMCDPV-UHFFFAOYSA-N;125.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142310;MM142310;C=C(CN)CN(O)C=N;MMXXJNDNIXVFGB-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142311;MM142311;CNC(=N)CN(C)C=O;AJRNDZMFGYDVSV-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142312;MM142312;CN(C=O)CC(=N)NN;CQCINTRAWXJLBA-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142313;MM142313;CN(C=O)CC(=N)NO;LIBOKQVDZOQUKY-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142314;MM142314;CN(C=N)CC(=O)NN;FSUMQAWYMXFSHN-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142315;MM142315;COC(=O)C(O)C1CN1;GPMSRNACHVRXKY-UHFFFAOYSA-N;131.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142316;MM142316;CN(C=O)CC(=O)NO;FKUJGJWMPZJFOU-UHFFFAOYSA-N;132.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142317;MM142317;CNC(=N)CN(N)C=N;IIZNEBULACWERH-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142318;MM142318;N=CN(N)CC(=N)NN;XZSUSBUBXRFDGP-UHFFFAOYSA-N;130.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142319;MM142319;N=CN(N)CC(=N)NO;VWAVYXMLHGHXER-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142320;MM142320;N=C(CN(N)C=O)NN;GGDAZYWNSCHGLW-UHFFFAOYSA-N;131.14;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142321;MM142321;C=C(F)CN(N)C(=O)NN;RAFCVTYMURVJRW-UHFFFAOYSA-N;148.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142322;MM142322;N=CN(O)CC(=N)NN;VGGSARPGLTZNLL-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142323;MM142323;COC(=O)CN(C)C=N;DYGGGJKNBRXAKP-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142324;MM142324;C=C(CN(N)C=N)OC;USVQVPQSAQIFGZ-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142325;MM142325;C=C(CN(N)C=O)OC;HIUKBGFFJUUWMT-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142326;MM142326;COC(=O)CN(N)C=O;LVSZOVCXRRGGSL-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142327;MM142327;C=NN(C)CC(=C)CN;FUTULQBETRRZRY-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142328;MM142328;CNNC(=O)C=NN=CN;UFFCBZVXZOHVCI-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142329;MM142329;C=NNC(=O)C=CNCC;LVYUWYILSLDNGS-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142330;MM142330;C=C(F)C(O)C(=NN)NO;GPGHCRIEVHULAM-UHFFFAOYSA-N;149.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142331;MM142331;C=NN(C)CC(=N)NC;PSSULIQZUARVEK-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142332;MM142332;C=NN(C)CC(=N)NN;JGEQTHHVNZTLEV-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142333;MM142333;CC(CO)NNC(=O)NN;XMXOUDOHDUVOFA-UHFFFAOYSA-N;148.17;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142334;MM142334;C=NN(C)CC(=O)NO;QDZKRFCBJQUORG-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142335;MM142335;C=NN(C)CC(=C)OC;BDGYXRUBANPQIV-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142336;MM142336;C=NN(C)CC(=O)OC;ACKFHTINKMJCET-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142337;MM142337;CCC(=N)NN(C)C=N;BZPRCTSBUISOGS-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142338;MM142338;CN(C=N)NC(=N)CN;WLCRKAITCLLMJB-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142339;MM142339;CN(C=N)NC(=N)CO;YCVRIHXDJCNVMV-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142340;MM142340;CN(C=N)NC(=N)CF;LNSIMIDGSYGZNY-UHFFFAOYSA-N;132.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142341;MM142341;CCC(=N)NN(C)C=O;XYHQQOYOCJFYAS-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142342;MM142342;CN(C=O)NC(=N)CO;JGFJVTRLFSGVDV-UHFFFAOYSA-N;131.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142343;MM142343;N=CN(O)C(=N)C(O)C=O;DSZBBCAHBSGCRG-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142344;MM142344;CCC(=O)NN(C)C=N;NFKBWJHAYBNTKJ-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142345;MM142345;CN(C=N)NC(=O)CO;BJFSXZSRSYWDCN-UHFFFAOYSA-N;131.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142346;MM142346;CN(C=N)NC(=O)CF;AHVWFCRIZKFFIR-UHFFFAOYSA-N;133.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142347;MM142347;CN(C=O)NC(=O)CO;NBQJUURTUOURFH-UHFFFAOYSA-N;132.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142348;MM142348;CN(C=O)NC(=O)CF;XHURWVBVWUHISG-UHFFFAOYSA-N;134.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142349;MM142349;CNC(=N)NN(C)C=N;WMKPLODDHASXQX-UHFFFAOYSA-N;129.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142350;MM142350;CN(C=N)NC(=N)NN;YWUMUAZVVBPNDQ-UHFFFAOYSA-N;130.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142351;MM142351;CN(C=N)NC(=N)NO;CGNCLVIJQCNSOG-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142352;MM142352;CN(C=O)NC(=N)NN;RUIAMKHIYZWTOS-UHFFFAOYSA-N;131.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142353;MM142353;CNC(=O)NN(C)C=N;SOKDVOUXNANVAZ-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142354;MM142354;CN(C=N)NC(=O)NO;BUAOJZKWWODTPQ-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142355;MM142355;CN(C=O)NC(=O)NN;XNXJMIUFWUCELE-UHFFFAOYSA-N;132.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142356;MM142356;CN(C=O)NC(=O)NO;ZYQFQOGGNZVPPS-UHFFFAOYSA-N;133.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142357;MM142357;COC(=O)NN(C)C=N;DIFDDLYKJNCHTI-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142358;MM142358;COC(=O)NN(C)C=O;ODOLYJWWEDWMQD-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142359;MM142359;CN(C=O)OC(=O)CF;SKBCNBBSUUZCLY-UHFFFAOYSA-N;135.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142360;MM142360;COC=CC(O)C(=O)NN;ZWCIYECXCVTCFM-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142361;MM142361;C=CC(=C)CC(C)C=C;VVXDWUYZNXHWCV-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142362;MM142362;C=CC(C)CC(=C)C=O;MVNRTEZXJQYRRH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142363;MM142363;C=CC(C)CC(=C)C#N;TWFVBMMLBRVMLL-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142364;MM142364;C=CC(=C)CC(C)C=O;HHMJPMWMLUHKPX-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142365;MM142365;C=CC(=C)CC(C)C#N;CPXZSESRHNYKJQ-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142366;MM142366;C=C(C=O)CC(C)C=O;OSJJUWXGLZKCJV-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142367;MM142367;C=C(C#N)CC(C)C=O;WFOIUBPUUSPHBR-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142368;MM142368;C=C(C=O)CC(C)C#N;KZXJKJCNYNJWIM-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142369;MM142369;C=C(C#N)CC(C)C#N;LFGNSYGIQAYFGO-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142370;MM142370;C=CC(=O)CC(C)C=C;PTCOBZQQIMLMED-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142371;MM142371;C=CC(=O)CC(C)C=O;NGJPQYDWTHZVFY-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142372;MM142372;C=CC(=O)CC(C)C#N;GSUZRRNPRHSVNY-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142373;MM142373;CC(C=O)CC(=O)C=O;SKDNOCSZPBIOSM-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142374;MM142374;CC(C#N)CC(=O)C#N;UISCCMNMQMKTAQ-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142375;MM142375;C=CC(=C)CC(N)C=C;OLUZVLPEBXNJJZ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142376;MM142376;C#CC=CN(N)C(=O)NN;CDHCNAXRKSRMBF-UHFFFAOYSA-N;140.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142377;MM142377;C=CC(=C)CC(O)C#N;YNOZSSUJYWLMHB-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142378;MM142378;C=C(C=O)CC(O)C=O;FEIQTYRNXFHWII-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142379;MM142379;O=CC(=O)CC(O)C=O;XQZLUHMLOOGWMJ-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142380;MM142380;C=CC(=C)CC(F)C=C;VNRDPGLJCGPDEV-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142381;MM142381;C=CC(F)CC(=C)C=O;QKEMTPVSDGYRCN-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142382;MM142382;C=CC(F)CC(=C)C#N;CMHHPWSRWDSXDZ-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142383;MM142383;C=CC(=C)CC(F)C=O;SNIKYIDNWQLPSA-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142384;MM142384;C=CC(=C)CC(F)C#N;PSOHCXOBQAXBHC-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142385;MM142385;C=C(C#N)CC(F)C#N;NJDOZFRVMDOYLE-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142386;MM142386;C=CC(=O)CC(F)C=C;UVAKDIDPKLFVFE-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142387;MM142387;N#CC(=O)CC(F)C#N;PLVUHYWPKMNYIH-UHFFFAOYSA-N;126.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142388;MM142388;C=CC(=N)NC(C)C=C;AMULRFZOPXEMFO-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142389;MM142389;C=CC(C)NC(=N)C#N;WMOVKRSIGPGJEZ-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142390;MM142390;C=CC(N)=NC(C)C=O;UCZZCHDTJXRQRW-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142391;MM142391;C=NOCC#CC(C)C#N;AJNDANIZFHDBDG-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142392;MM142392;CON=CN(C=N)NC=O;LPNJNRIBLKPPDH-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142393;MM142393;C=CC(C)NC(=O)C#N;UWBTZQXTOARNSE-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142394;MM142394;CC(C=O)NC(=O)C=O;YPOSLUBVSGPLAJ-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142395;MM142395;C=CC(=C)OC(C)C=C;CCJAAHDWIWPKLU-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142396;MM142396;C=CC(C)OC(=C)C#N;JOSXYNLSVYWATK-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142397;MM142397;C=CC(=C)OC(C)C=O;REZHXELRCWWYPG-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142398;MM142398;C=CC(=C)OC(C)C#N;ICBTWTDCFFFPAS-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142399;MM142399;C=C(C#N)OC(C)C=O;WWFQJNWKRQTHLC-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142400;MM142400;C=C(C=O)OC(C)C#N;SPAQKHNTFVHKEO-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142401;MM142401;C=C(C#N)OC(C)C#N;HNIUJFLENIOTEK-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142402;MM142402;C=CC(=O)OC(C)C=C;ZGWSBQOJBNYJPJ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142403;MM142403;C=CC(C)OC(=O)C#N;OKAPTQHBTHMOJO-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142404;MM142404;C=CC(=C)CN(C)C=O;GKYOYCZSNVXIKY-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142405;MM142405;CN(C=N)CC(=O)C#N;SJKUQBMZTKHZRM-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142406;MM142406;CN(C=O)CC(=O)C#N;NCJVMYXUTNOQMU-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142407;MM142407;C=CC(=C)CN(N)C=O;QLHNLSFXHJDBKV-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142408;MM142408;C=CC(=C)CN(C)N=C;YZWOJSAYDXVPFG-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142409;MM142409;C=NN(C)CC(=C)C#N;OVVZDBHWXVHFHM-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142410;MM142410;Nc1c(F)c(O)n(N)c1N;IAHIPCMERDNKQI-UHFFFAOYSA-N;146.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142411;MM142411;CN(C=N)NC(=N)C#N;IUWXQHIIJGYBKH-UHFFFAOYSA-N;125.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142412;MM142412;C=CC(=N)NN(C)C=O;NQDXYBYNWYHKGB-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142413;MM142413;C=CC1CN1C(CC)=NO;PDLXAJVIXUBKAI-UHFFFAOYSA-N;140.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142414;MM142414;NNC(=O)CCF;MYPFDDRNYDAAEE-UHFFFAOYSA-N;106.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142415;MM142415;C=CC(=O)NN(C)C=N;KNFFNCKFDLTERA-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142416;MM142416;CN(C=N)NC(=O)C=O;DPQGCYROAFIWAG-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142417;MM142417;C=CC(=O)NN(C)C=O;INGUWVBYQUBRAB-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142418;MM142418;CN(C=O)NC(=O)C=O;NZNVBXBZNVJUGW-UHFFFAOYSA-N;130.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142419;MM142419;C#CC(=C)CC(C)C=C;AWFNSBDNVITSLA-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142420;MM142420;C#CC(=C)CC(C)C=O;QMQIKTODGGDAQW-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142421;MM142421;C#CC(=C)CC(C)C#N;PAJWMUVAOOBZHA-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142422;MM142422;C#CC(=O)CC(C)C=C;IDAIDIXJBNITIN-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142423;MM142423;C#CC(=C)CC(N)C=C;RTITYPIQCWNGCL-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142424;MM142424;C#CC(=C)CC(O)C=O;QYEWUCCPNUWJOC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142425;MM142425;C#CC(=C)CC(F)C=C;GMTMQVOTJOOAMM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142426;MM142426;C#CC(=C)CC(F)C=O;WMYLDIHBJBNRMW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142427;MM142427;C#CC(=C)CC(F)C#N;XJQGHIGAEKVBEG-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142428;MM142428;C#CC(=O)CC(F)C=C;OXYKQVNYCPPNFQ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142429;MM142429;C#CC(=O)NC(C)C=O;XCZRBBVSTGYNAM-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142430;MM142430;C#CC(=C)OC(C)C=C;BHYHUWHXEHDJIX-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142431;MM142431;C#CC(=C)OC(C)C=O;BCEJMKQCYPKBMB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142432;MM142432;C#CC(=C)OC(C)C#N;MLRGBPSTUUAQDB-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142433;MM142433;C#CC(=O)OC(C)C=C;DJCPQMDIVAIRSV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142434;MM142434;C#CC(=C)CN(C)N=C;JWEDVGBXJCLHBV-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142435;MM142435;CONC(=NO)NN;QEHOTQZWRYUIPA-UHFFFAOYSA-N;120.11;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142436;MM142436;C#CC(C)CC(=C)CC;YXELPAYHODHPCU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142437;MM142437;C#CC(C)CC(=C)CN;PYCSKASXHZPNHU-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142438;MM142438;C#CC(C)CC(=C)CO;WSIUJOUGJOJSEA-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142439;MM142439;C#CC(C)CC(=C)CF;KFKWSVAXAUBMPE-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142440;MM142440;C#CC(C)CC(=O)CC;WYLDMNKYPXMSEV-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142441;MM142441;C#CC(C)CC(=O)CF;IMNUZHSUWOCZPP-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142442;MM142442;C#CC(N)CC(=C)CC;NROHIVBOAKFZJO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142443;MM142443;C#CC(N)CC(=C)CN;RLTRAGFNQHZJNB-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142444;MM142444;C#CC(N)CC(=C)CO;NRRYGHKPVMLYJO-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142445;MM142445;C#CC(O)CC(=C)CC;LUNJGPKAGSLAMG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142446;MM142446;C#CC(O)CC(=O)CO;XKVVKDIREJBNQV-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142447;MM142447;C#CC(O)CC(=O)CF;YDBPJFVHXIEQPR-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142448;MM142448;C#CC(F)CC(=C)CC;OUKBJLSYAOBMPY-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142449;MM142449;C#CC(F)CC(=C)CF;SXUQUXMVTQUMQO-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142450;MM142450;C#CC(F)CC(=O)CC;ZSFIESDNFLNWDF-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142451;MM142451;C#CC(C)CC(=N)NC;SLQDOTVINYOKQP-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142452;MM142452;C#CC(C)CC(=O)NC;VRFHNQWSVJWJBZ-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142453;MM142453;C#CC(N)CC(=N)NC;DLAIUGNAGYUJHK-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142454;MM142454;C#CC(N)CC(=N)NO;BIWSZXQYWSEZHU-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142455;MM142455;C#CC(O)CC(=N)NC;OEBDYDQMMGAINV-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142456;MM142456;C#CC(O)CC(=N)NN;SEYJOSLFVNEAFV-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142457;MM142457;C#CC(O)CC(=N)NO;VYJPWOQTZUFLLJ-UHFFFAOYSA-N;128.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142458;MM142458;C#CC(O)CC(=O)NC;NDNYRHBLMJHGER-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142459;MM142459;C#CC(F)CC(=N)NN;GYKHXHUBYJCYIC-UHFFFAOYSA-N;129.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142460;MM142460;C#CC(F)CC(=N)NO;QKPCCFHRQWVGSM-UHFFFAOYSA-N;130.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142461;MM142461;NN=C1CC(F)=CN1;IDCQJIYKHAICGK-UHFFFAOYSA-N;115.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142462;MM142462;C#CC(F)CC(=O)NO;AUNWJCFFLLYZOP-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142463;MM142463;C#CC(C)CC(=C)OC;BNFCBHRBAIYPNB-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142464;MM142464;C#CC(C)CC(=O)OC;NEEUKEIOMPYPCM-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142465;MM142465;C#CC(O)CC(=O)OC;CYVOBAXRTDOZLI-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142466;MM142466;C#CC(F)CC(=C)OC;TWNXADLSJKHGDY-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142467;MM142467;C#CC(F)CC(=O)OC;BPHFWTFQEQLCMJ-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142468;MM142468;C#CC(C)NC(=N)CC;VCLAPCRGHUNNAS-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142469;MM142469;C#CC(C)NC(=N)CN;BGBMFTNLMLGNJV-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142470;MM142470;C#CC(C)NC(=N)CO;XKUDQMKBBDZVDF-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142471;MM142471;C#CC(C)NC(=O)CC;LPJAEPILRPTOAR-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142472;MM142472;C#CC(C)NC(=O)CO;VSROLIGQTWIKKF-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142473;MM142473;C#CC(C)NC(=O)CF;SVIXRAHCVFEUMC-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142474;MM142474;C#CC(C)NC(=N)NN;PDDGOYZEXKPJPH-UHFFFAOYSA-N;126.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142475;MM142475;C#CC(C)NC(=N)NO;QXPGEXUICWCDFR-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142476;MM142476;C=CC(F)=CC(=O)NN;HYZYIOCBVXHBTQ-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142477;MM142477;C#CC(C)NC(=O)NO;RLQYPTUWOXICBR-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142478;MM142478;C#CC(C)OC(=C)CC;GADNTPXBDPOCIB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142479;MM142479;C#CC(C)OC(=C)CN;DTPKXRFYBMKKBK-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142480;MM142480;C#CC(C)OC(=C)CO;ZZBJYMSBBREAEU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142481;MM142481;C#CC(C)OC(=C)CF;UKPPOQUUJAYYJP-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142482;MM142482;C#CC(C)OC(=O)CC;AKFLRLLSWBFPJF-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142483;MM142483;C#CC(C)OC(=N)NC;WINODRLLORIEFO-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142484;MM142484;C#CC(C)OC(=O)NC;DVXVYUHYFGOKPL-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142485;MM142485;C#CC(C)CC(=C)C=C;BDISQDWEYXDELC-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142486;MM142486;C#CC(C)CC(=C)C=O;PXIILKCNGLXVGG-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142487;MM142487;C#CC(C)CC(=C)C#N;REOAYDBNHDFMFT-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142488;MM142488;C#CC(C)CC(=O)C=C;FDCUPKNNWIMYSU-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142489;MM142489;C#CC(C)CC(=O)C#N;HHJUDGXDZIXUKJ-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142490;MM142490;C#CC(N)CC(=C)C=C;LJVABDZPVSEADJ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142491;MM142491;C#CC(O)CC(=C)C=C;YTNVORKZSKONPG-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142492;MM142492;C#CC(O)CC(=O)C#N;NOTFQHXMZBVUNY-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142493;MM142493;C#CC(F)CC(=C)C=C;ILFKXQKBMXBYRY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142494;MM142494;C#CC(F)CC(=C)C=O;JVUWWEVTHYOXTA-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142495;MM142495;C#CC(F)CC(=C)C#N;ANMOSQPQHZKYBF-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142496;MM142496;C#CC(F)CC(=O)C=C;CFPMGMJWFGVMMY-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142497;MM142497;C#CC(C)NC(=N)C=C;WNZFJWAMFQILNP-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142498;MM142498;C#CC(C)NC(=O)C=C;DNFGVEHYSNJRNO-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142499;MM142499;C#CC(C)NC(=O)C=O;NWIWGLQTDRXMNO-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142500;MM142500;C#CC(C)OC(=C)C=C;VUQVIHCEXVTOIE-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142501;MM142501;C#CC(C)OC(=C)C=O;WMTFZQHEMNRMCB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142502;MM142502;C#CC(C)OC(=C)C#N;BXHTVCHZPARKRF-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142503;MM142503;C#CC(C)OC(=O)C=C;BOCMFJZOFDLJQJ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142504;MM142504;C#CC(C)OC(=O)C=O;ATQRRFKRMYOUPN-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142505;MM142505;C#CC(C)OC(=O)C#N;IRRIKRLBHVUEFQ-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142506;MM142506;C#CC(=C)CC(C)C#C;VXGKPSCCTRBUQA-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142507;MM142507;C#CC(=O)CC(C)C#C;ANKBXZCKXOYLML-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142508;MM142508;C#CC(=C)CC(N)C#C;FHKCHOPRBZRQBL-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142509;MM142509;C#CC(=C)CC(O)C#C;GOLCXZTYTGPHJB-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142510;MM142510;C#CC(=O)CC(O)C#C;INXANLQQOVSNAB-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142511;MM142511;C#CC(=C)CC(F)C#C;QWXMGVJHDOWITF-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142512;MM142512;C#CC(=O)CC(F)C#C;PJWLSPPIEFAWPG-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142513;MM142513;C#CC(=N)NC(C)C#C;CZLRLLNULVEJLJ-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142514;MM142514;C#CC(=O)NC(C)C#C;GNHDSPIWZLUREF-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142515;MM142515;C#CC(=C)OC(C)C#C;POHIDIORRZPVHM-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142516;MM142516;C#CC(=O)OC(C)C#C;DUVWWNOFCDIMHX-UHFFFAOYSA-N;122.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142517;MM142517;C=C(CC)CC(=C)CC;IQUVLNZSFKAUMX-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142518;MM142518;C=C(CC)CC(=C)CN;VMLDWVLUAOVNMT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142519;MM142519;C=C(CC)CC(=C)CO;QGRSXCUUBBXVGJ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142520;MM142520;C=C(CC)CC(=C)CF;XPCUMLSJOFYKSN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142521;MM142521;C=C(CN)CC(=C)CF;KOFHWXUNAGOYLU-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142522;MM142522;C=C(CO)CC(=C)CF;ZYLVTIDCZCQXCI-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142523;MM142523;C=C(CF)CC(=C)CF;UDISUECZCNNANH-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142524;MM142524;C=C(CC)CC(=O)CC;AQEWUVMJFCNFIY-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142525;MM142525;C=C(CC)CC(=O)CF;CBMDZGWGRFQTSJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142526;MM142526;C=C(CO)CC(=O)CF;DJOMABJTPNPGGG-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142527;MM142527;C=C(CF)CC(=O)CC;FWUMOEKETMHKQE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142528;MM142528;C=C(CF)CC(=O)CO;DHRMWQSDMHCONO-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142529;MM142529;C=C(CF)CC(=O)CF;RZJUBGSIKXNFET-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142530;MM142530;CCC(=O)CC(=O)CC;DGCTVLNZTFDPDJ-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142531;MM142531;O=C(CO)CC(=O)CO;VMVGBPVRCDIKKS-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142532;MM142532;C=C(CC)CC(=N)NC;FGLZBNIECCEAAB-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142533;MM142533;C=C(CC)CC(=N)NO;XAYJWSLUVYWUPG-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142534;MM142534;C=C(CN)CC(=N)NC;UZVCNJZKVOFSNW-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142535;MM142535;C=C(CN)CC(=N)NO;RRWDXRFTMNVOSD-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142536;MM142536;C=C(CF)CC(=N)NN;DSJVALVOBZONMR-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142537;MM142537;C=C(CF)CC(=N)NO;RHRSPPUDODJEON-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142538;MM142538;C=C(CC)CC(=O)NC;UGORDJUHAMTELX-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142539;MM142539;C=C(CN)CC(=O)NC;PBVOXVGTEDXXPL-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142540;MM142540;C=C(CN)CC(=O)NO;GAXGHZJFYCYVJY-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142541;MM142541;C=CC1(O)CN(N)C1=O;FXPNGDOVJOWAKE-UHFFFAOYSA-N;128.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142542;MM142542;C=C(CO)CC(=O)NO;OTSFELYEQJFHHE-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142543;MM142543;C=C(CF)CC(=O)NC;IKYXGXGEMCGVTI-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142544;MM142544;CCC(=O)CC(=N)NO;JPKJLYZDVVPFBN-UHFFFAOYSA-N;130.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142545;MM142545;CN=C(N)CC(=O)CO;YGXUEACIUHJBBH-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142546;MM142546;CC(O)(C#N)CN1CC1;XUSFEYAEOFUDGT-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142547;MM142547;NC(CC(=O)CF)=NO;WTYLSXAMXFWYSV-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142548;MM142548;CCC(=O)CC(=O)NO;KPJDQRWPSUJTAL-UHFFFAOYSA-N;131.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142549;MM142549;CNC(=O)CC(=O)CO;ZDKRPDFVDCNFNS-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142550;MM142550;O=C(CO)CC(=O)NO;ZGNWVZQFMWHWEE-UHFFFAOYSA-N;133.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142551;MM142551;C=C(CC)CC(=C)OC;QNAFWVRGMYKWLV-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142552;MM142552;C=C(CN)CC(=C)OC;JAROXOJZUBHPGU-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142553;MM142553;C=C(CO)CC(=C)OC;VVWIRJCLHTWXFJ-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142554;MM142554;C=C(CF)CC(=C)OC;OCKYASNPMDCZPL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142555;MM142555;C=C(CC)CC(=O)OC;HTXYSYBDRBAXBK-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142556;MM142556;C=C(CF)CC(=O)OC;QHFXABJGBSJWTM-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142557;MM142557;C=C(CC(=O)CC)OC;ILMNTPHNFVNAKS-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142558;MM142558;C=C(CC(=O)CF)OC;HDFTUCZHCKPAFA-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142559;MM142559;COC(=O)CC(=O)CO;XEZVRHHQQDRSIY-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142560;MM142560;COC(=O)CC(=O)CF;OJYJRDRXGWCIND-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142561;MM142561;CNC(=N)CC(=N)NN;WUULQYUMQYRFKF-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142562;MM142562;N=C(CC(=N)NN)NN;AODDEVXWEVDOJH-UHFFFAOYSA-N;130.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142563;MM142563;N=C(CC(=N)NO)NO;USZCEMAXQGZEEK-UHFFFAOYSA-N;132.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142564;MM142564;CN=C(N)CC(=O)NN;AEKOYGTWWOUVAF-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142565;MM142565;CNC(=O)CC(=N)NN;GAFXHUGOEGUBKL-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142566;MM142566;NC(CC(=O)NO)=NO;KJLHDYYDHSKUPX-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142567;MM142567;CNC(=O)CC(=O)NC;ZWXJWAPTSTYSAH-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142568;MM142568;NN=CN(N)C(=O)NN;VKZVEXITGJRNTP-UHFFFAOYSA-N;132.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142569;MM142569;CNC(=O)CC(=O)NO;IEBOAKXAEWYUSY-UHFFFAOYSA-N;132.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142570;MM142570;C=NNC(=NO)NNC;SBXMJGDSEAEUDO-UHFFFAOYSA-N;131.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142571;MM142571;CNC(=N)CC(=O)OC;IAKYFCLTEIMDSV-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142572;MM142572;COC(=O)CC(=N)NN;LGQZXMKSWHJZJK-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142573;MM142573;Nc1nc(O)n(N)c1O;SDGGQTRALWVQKU-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142574;MM142574;C=C(CC(=O)NO)OC;MUTOSTDQBMYNHD-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142575;MM142575;CNC(=O)CC(=O)OC;RXLLPEQMGRMEAT-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142576;MM142576;NN1CC(=CF)NC1=O;IYPRXANBEZXUFK-UHFFFAOYSA-N;131.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142577;MM142577;COC(=O)CC(=O)NO;YFTGZYFZUVPFRS-UHFFFAOYSA-N;133.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142578;MM142578;C=C(CC(=C)OC)OC;YJAHNAWRZKWVSB-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142579;MM142579;C=C(CC(=O)OC)OC;HYDMRXGBUWLQOT-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142580;MM142580;COC(=O)CC(=O)OC;BEPAFCGSDWSTEL-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142581;MM142581;C=C(CC)NC(=N)CC;PHCIQEBIYGARAH-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142582;MM142582;C=C(CC)NC(=N)CN;QKILMJIHZFETIM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142583;MM142583;C=C(CN)NC(=N)CC;OINPZULLXMRQRH-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142584;MM142584;C=C(CN)NC(=N)CN;PAJDLYIHLQRWKA-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142585;MM142585;C=C(CO)NC(=N)CC;WOYSWTNYSBPQHF-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142586;MM142586;C=C(CO)NC(=N)CO;JGTFZPDFYCSBQY-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142587;MM142587;C=C(CF)NC(=N)CC;FVLBWNBEJWNZJW-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142588;MM142588;C=C(CC)NC(=O)CC;XGUWFIMEABYDEH-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142589;MM142589;C=C(CN)NC(=O)CN;YHKZKPBLEBQYFF-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142590;MM142590;C=C(CN)NC(=O)CO;BEVFTXWNKGVBCT-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142591;MM142591;C=C(CN)NC(=O)CF;YVDQOMLDTKYMKQ-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142592;MM142592;C=C(CO)NC(=O)CO;OAEIVJJEXAFEAT-UHFFFAOYSA-N;131.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142593;MM142593;C=C(CO)NC(=O)CF;YTZIZWPSWMXJQE-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142594;MM142594;C=C(CF)NC(=O)CC;LQLPHZMHVKNJPS-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142595;MM142595;C=C(CF)NC(=O)CO;ZEPXHHNYJKUYMP-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142596;MM142596;N=C(CN)NC(=N)CN;XOGJPIAPRXKPLC-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142597;MM142597;C=CN(C)C(=NO)NO;UNBJBLMJKVWKTH-UHFFFAOYSA-N;131.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142598;MM142598;CC1CN1CC(C)(O)C#N;MRJARQWDPRJICP-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142599;MM142599;CCC(=O)NC(=N)CO;HSDLHXRVEQOPDN-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142600;MM142600;N=C(CO)NC(=O)CO;KBOYGKBCUCWXOU-UHFFFAOYSA-N;132.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142601;MM142601;N=C(CO)NC(=O)CF;SYSHJBCIOJRGPM-UHFFFAOYSA-N;134.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142602;MM142602;N=C(CF)NC(=O)CO;XTTYJKNVIOZCJX-UHFFFAOYSA-N;134.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142603;MM142603;CCC(=O)NC(=O)CF;ZUHUPAYAOXSKHE-UHFFFAOYSA-N;133.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142604;MM142604;O=C(CO)NC(=O)CO;AFZDVRKRCBAOSB-UHFFFAOYSA-N;133.1;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142605;MM142605;O=C(CO)NC(=O)CF;NFJSNDSGEUCCAN-UHFFFAOYSA-N;135.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142606;MM142606;C=C(CN)NC(=N)NO;YYXOQNQMOJJNQG-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142607;MM142607;C=C(CO)NC(=N)NC;QHMXERXVXRRADL-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142608;MM142608;C=C(CO)NC(=N)NN;PXNDTUMWYYXPJQ-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142609;MM142609;C=C(CO)NC(=N)NO;KXUFIZCBDXDQEJ-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142610;MM142610;C=C(CN)NC(=O)NC;RIHANOMQEOYHMB-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142611;MM142611;C=C(CN)NC(=O)NO;INVNAHOQDZBEOL-UHFFFAOYSA-N;131.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142612;MM142612;C=C(CO)NC(=O)NC;KOGHRJDMKBWJIR-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142613;MM142613;C#CCOCC(=O)NNC;NLOIEBHPUIQWSF-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142614;MM142614;C=C(CO)NC(=O)NO;HNWZIAYUNUCHTL-UHFFFAOYSA-N;132.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142615;MM142615;CCC(=N)NC(=N)NC;QAFNFCVJYUTCSG-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142616;MM142616;CCC(=N)NC(=N)NN;NGNZHQOKAQCUDM-UHFFFAOYSA-N;129.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142617;MM142617;CCC(=N)NC(=N)NO;QPCQDSKXDYOYKI-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142618;MM142618;CNC(=N)NC(=N)CN;JMAYVCDIKGHZPS-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142619;MM142619;N=C(CN)NC(=N)NO;KDBQAODQAJPBGK-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142620;MM142620;N=C(CF)NC(=N)NN;HLRUKUSYYBXZBP-UHFFFAOYSA-N;133.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142621;MM142621;CC(C=NN)C=NNC=O;TZTZMSZRDRQDFM-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142622;MM142622;CNNC(=N)C(=O)NNC;DFEMBDLHWXWQQQ-UHFFFAOYSA-N;145.17;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142623;MM142623;N=C(CF)NC(=O)NO;MBHXXMCBMNBBKX-UHFFFAOYSA-N;135.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142624;MM142624;CCC(=O)NC(=N)NC;VGLCFVXXFFRWEK-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142625;MM142625;CCC(=O)NC(=N)NN;GQCOSWZJGMUWHV-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142626;MM142626;CNC(=N)NC(=O)CO;JFDKSDAMIKHKIC-UHFFFAOYSA-N;131.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142627;MM142627;N=C(NN)NC(=O)CO;QNPBSQQCVRTBFQ-UHFFFAOYSA-N;132.12;-2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142628;MM142628;CCC(=O)NC(=O)NN;WPQMTTVLJCRXKS-UHFFFAOYSA-N;131.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142629;MM142629;CCC(=O)NC(=O)NO;FNIYALIDUYEVTP-UHFFFAOYSA-N;132.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142630;MM142630;CNC(=O)NC(=O)CO;IYGOCHIBGMKCCJ-UHFFFAOYSA-N;132.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142631;MM142631;NNC(=O)NC(=O)CO;FHDCWTPWRMNMEZ-UHFFFAOYSA-N;133.11;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142632;MM142632;O=C(CO)NC(=O)NO;IRHWZNZCUYUNBF-UHFFFAOYSA-N;134.09;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142633;MM142633;NNC(=O)NC(=O)CF;ABIXATJSEQRKDH-UHFFFAOYSA-N;135.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142634;MM142634;O=C(CF)NC(=O)NO;XXEHQLAHDKWETQ-UHFFFAOYSA-N;136.08;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142635;MM142635;C=C(CN)NC(=N)OC;YHCNOJXNROZKQB-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142636;MM142636;C=C(CN)NC(=O)OC;FRXONESSLWXNES-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142637;MM142637;C=C(NC(=N)CN)OC;RNNSBVRBTIONFZ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142638;MM142638;CCC(=N)NC(=N)OC;FVNRLNSSCUHCCX-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142639;MM142639;CC(=O)N(C)C(=NO)NN;OWKXKCAFQZFDIH-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142640;MM142640;CCC(=N)NC(=O)OC;QPVFXODOPVIZMM-UHFFFAOYSA-N;130.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142641;MM142641;COC(=O)NC(=N)CO;QWPLQVYINJPSNX-UHFFFAOYSA-N;132.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142642;MM142642;COC(=O)NC(=N)CF;YVQOJBDANQGNGX-UHFFFAOYSA-N;134.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142643;MM142643;C=C(NC(=O)CC)OC;PDACFJSNAMOANW-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142644;MM142644;CCC(=O)NC(=N)OC;LTZXVWVFGGEWHA-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142645;MM142645;COC(=N)NC(=O)CO;CDDJHYJHGMJYNQ-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142646;MM142646;COC(=O)NC(=O)CO;ANDPRKBCZKEJFA-UHFFFAOYSA-N;133.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142647;MM142647;CNC(=N)NC(=N)NN;TULDQUNEYATRHJ-UHFFFAOYSA-N;130.16;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142648;MM142648;CNC(=N)NC(=O)NO;ZNTBXNSNDFJQTF-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142649;MM142649;C=C(NC(=N)NC)OC;MDHOATMDDTUPCS-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142650;MM142650;C=C(NC(=N)NN)OC;AZNNCTPHCADZTM-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142651;MM142651;C=C(NC(=N)NO)OC;QJSYUIRXSGIFPZ-UHFFFAOYSA-N;131.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142652;MM142652;CNC(=N)NC(=N)OC;JLVCEJRSXXDJLS-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142653;MM142653;COC(=N)NC(=N)NN;CSLZWWNRKLPBCG-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142654;MM142654;COC(=N)NC(=N)NO;AMROBCUZDLTRDU-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142655;MM142655;CNC(=N)NC(=O)OC;CTTQZMFVWLLLCK-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142656;MM142656;CNNC(=O)C(=N)N(C)N;GUGBXIJDZQQOND-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142657;MM142657;CNC(=O)NC(=N)OC;CUCVQFWSQZPLSB-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142658;MM142658;COC(=N)NC(=O)NN;VMIWUNWHEWVBRT-UHFFFAOYSA-N;132.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142659;MM142659;CNC(=O)OCC(=O)NN;ICUCDAYZKRXDMW-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142660;MM142660;COC(=N)NC(=O)OC;DEZNOFAJXWNMHJ-UHFFFAOYSA-N;132.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142661;MM142661;C=C(CC)OC(=C)CC;CKUJPQGNVQEILJ-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142662;MM142662;C=C(CC)OC(=C)CN;VGUUIGQYXZKPFE-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142663;MM142663;C=C(CC)OC(=C)CO;HLSNQDUEJHWFPJ-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142664;MM142664;C=C(CC)OC(=C)CF;AHMVNJPGNBRDKM-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142665;MM142665;C=C(CN)OC(=C)CN;HTWACMXDGQDGHE-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142666;MM142666;C=C(CC)OC(=O)CC;YQKFDPPKYZZZSN-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142667;MM142667;C=C(CC)OC(=O)CO;BGJDOQPSNNRZJZ-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142668;MM142668;C=C(CC)OC(=O)CF;CSMGRLUKBWTPAP-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142669;MM142669;C=C(CN)OC(=O)CN;XKWSPQQVABJAOY-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142670;MM142670;C=C(CN)OC(=O)CO;XVSFTBOENKUMFK-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142671;MM142671;C=C(CO)OC(=O)CC;RJCFVNBCJBXWDK-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142672;MM142672;C=C(CF)OC(=O)CC;KURPSWVYLDHMKK-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142673;MM142673;C=C(CF)OC(=O)CO;VIOWYEMEBIYXIC-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142674;MM142674;C=C(CF)OC(=O)OC;DPZMFDVDDQZHJW-UHFFFAOYSA-N;134.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142675;MM142675;C=CC(=C)CC(=C)CC;VZYVVUYKNMWNDK-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142676;MM142676;C=C(C=O)CC(=C)CC;KGRQAQCIOWNOPE-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142677;MM142677;C=C(C#N)CC(=C)CC;VKPQWTJTVVWWMX-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142678;MM142678;C=CC(=C)CC(=C)CN;WIIULJJZVZALHY-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142679;MM142679;C=CC(=C)CC(=C)CO;QMJFEMJNJWFFQF-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142680;MM142680;C=CC(=C)CC(=C)CF;LXYVZDUWCRFZQG-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142681;MM142681;C=C(C=O)CC(=C)CF;XUUXOZSFDTXZLO-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142682;MM142682;C=C(C#N)CC(=C)CF;LDESDEYROYUEEK-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142683;MM142683;C=CC(=O)CC(=C)CC;ASLIZWJGXBBMQC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142684;MM142684;C=CC(=O)CC(=C)CF;BIKFVOFAKPBFLO-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142685;MM142685;C=CC(=C)CC(=O)CC;XYPVPFSOZKBGNQ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142686;MM142686;C=C(C=O)CC(=O)CC;HPNQNCLHASVIJY-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142687;MM142687;C=C(C=O)CC(=O)CO;KCFCWDGMVNKHFA-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142688;MM142688;C=CC(=C)CC(=O)CF;WTUIIDBPILUPMZ-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142689;MM142689;C=CC(=O)CC(=O)CC;WTIZXHYCCKUVHY-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142690;MM142690;C=Cc1occ(O)c1F;JQKWQOMFUGLSBO-UHFFFAOYSA-N;128.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142691;MM142691;O=COCC(=NO)OC=O;JGAWYYDWRQEDOR-UHFFFAOYSA-N;147.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142692;MM142692;C#Cc1nn[nH]n1;AXIWVWLGMJTSMV-UHFFFAOYSA-N;94.08;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142693;MM142693;C=CC(=C)CC(=N)NC;MKJXOTSXRLYRFN-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142694;MM142694;C=C(C=O)CC(N)=NC;DKVKVGOKQVRWRK-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142695;MM142695;C=C(C#N)CC(=N)NC;DZCYHNFCGUXZGM-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142696;MM142696;C=CC(=C)CC(=N)NN;VNGWJQNOLGFBCX-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142697;MM142697;C=CC(=O)CNC(C)=NO;ZZPQKMHBXDDMAZ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142698;MM142698;C=C(C#N)CC(=N)NO;HAIIRAOGXUSSIN-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142699;MM142699;CN=C(N)CC(=O)C=O;OLJYJOMAFOGQDY-UHFFFAOYSA-N;128.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142700;MM142700;CN=C(N)CC(=O)C#N;OMXDWIMRPZWBIY-UHFFFAOYSA-N;125.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142701;MM142701;N#CC(=O)CC(N)=NO;FGSNZZWBKBXIHV-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142702;MM142702;C=CC(=C)CC(=O)NC;CKCXSUQANYRFKE-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142703;MM142703;C=NN(C=N)CC(O)C#N;VFGPVBVQTGBLNA-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142704;MM142704;C=CC(=C)CC(=C)OC;YBHFSRRKDFUGRI-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142705;MM142705;C=C(C=O)CC(=C)OC;RQHLHKBTBUFBTG-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142706;MM142706;C=C(C#N)CC(=C)OC;IFPPIZPIWPXUJE-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142707;MM142707;C=CC(=O)CC(=C)OC;DWKDJLRFXXXPSB-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142708;MM142708;C=C(CC(=O)C=O)OC;LRRUXBCXNVMGFD-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142709;MM142709;C=CC(=C)CC(=O)OC;QYRRJXARWCBRLP-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142710;MM142710;C=C(CC)N=C(N)C=O;KGTZPNUFALVLMW-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142711;MM142711;NNC(=NO)NCC(F)F;SYQYQVPCJFEEJI-UHFFFAOYSA-N;154.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142712;MM142712;C=CC(=O)NC(=C)CC;VRTKNQXLIXGQKZ-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142713;MM142713;C=C(CC)NC(=O)C=O;WSCRQEMJSZFSNR-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142714;MM142714;C=C(CC)NC(=O)C#N;IRBNHZWPDCFQIJ-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142715;MM142715;C=CC(=O)NC(=C)CO;NQGOGONTJINKHJ-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142716;MM142716;C=C(CO)NC(=O)C=O;ZAGRDUHGHDYZJK-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142717;MM142717;C=CC(=O)NC(=C)CF;KRXLYWUTSUOBAV-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142718;MM142718;C=CC(=C)NC(=N)CC;SWDXAVYNLZOQRA-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142719;MM142719;C=C(C#N)NC(=N)CC;COPXPOZXOUCICD-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142720;MM142720;C=CC(=C)NC(=N)CO;VODYVLTVYRDYQQ-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142721;MM142721;CC(CF)C(O)C(=O)NN;RNGRYGJMVWFBSG-UHFFFAOYSA-N;150.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142722;MM142722;CCNNC(=O)C(C)=CF;UUKULPKCVKLRQR-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142723;MM142723;C=CC(=N)NC(=N)CF;WOAWRRLJMPNLEC-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142724;MM142724;C=Cc1nn[nH]n1;VTQMJCSAHXYXPJ-UHFFFAOYSA-N;96.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142725;MM142725;C=CC(=O)NC(=N)CO;OSFDXYUTNHGAMK-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142726;MM142726;C=CC(=O)NC(=N)CF;DXYWNYRDXRHIAK-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142727;MM142727;C=CC(=C)NC(=O)CC;OGFIDDGEDGRGCK-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142728;MM142728;C=C(C#N)NC(=O)CC;RMHJMEZOKKQQJH-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142729;MM142729;C=CC(=C)NC(=O)CO;WORWNLQYDGMWFL-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142730;MM142730;C=C(C=O)NC(=O)CO;MOHGXECECWFWLR-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142731;MM142731;C=C(C#N)NC(=O)CO;WLPMYXRYAQITFE-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142732;MM142732;C=CC(=C)NC(=O)CF;BYAQFPBXAUVQFF-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142733;MM142733;CNN=c1oc(C)c(O)o1;WNTYOIDYHFDHHS-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142734;MM142734;C=NN=CN(C=N)NC=O;DCYUTJKAJGHXON-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142735;MM142735;CC(=NO)C(O)C(=O)C#N;VQBRMYXBHSVOKJ-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142736;MM142736;C=CC(=N)NC(=O)CF;GDEZRHNRPUWCBJ-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142737;MM142737;C=CC(=O)NC(=O)CO;NFVDCVNUWQRPCG-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142738;MM142738;C=C(C=O)NC(=N)NC;FPGBBJFKSCGCID-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142739;MM142739;C=CC(=N)NC(=N)NC;CYHIWGAUHJEOAW-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142740;MM142740;C=CC(=N)NC(=N)NN;PHICKKDBUBEHIL-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142741;MM142741;C=CC(=O)NC(=N)NC;RUAYMWXXBYGRCP-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142742;MM142742;C=CC(=O)NC(=N)NN;FXUGEIAMAWTHBF-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142743;MM142743;C=CC(=C)NC(=O)NC;LNUFALZBINYCFQ-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142744;MM142744;C=C(C=O)NC(=O)NO;FUZWONRIAGJSOJ-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142745;MM142745;CN(N)C(=NN)C(=O)NN;IULJZJANRFWCBQ-UHFFFAOYSA-N;146.15;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142746;MM142746;CCC(=NO)N(C)CCO;IWRLRCPKRLRAGA-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142747;MM142747;C=CC(=N)NC(=O)NO;VOMBHSMTKZXOLA-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142748;MM142748;C=CC(=O)NC(=O)NN;OCIMYLCMDORKAX-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142749;MM142749;C=CC(=O)NC(=O)NO;DBCFWOAVZLMRTL-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142750;MM142750;C=C(N=C(N)C=O)OC;JERYQQMPPDNVSZ-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142751;MM142751;C=CC(=O)NC(=C)OC;LVQIANWVBBFSLF-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142752;MM142752;C=C(C=O)NC(=N)OC;AFZGVIASFLFOJP-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142753;MM142753;C=CC(=O)NC(=N)OC;QMLAMXWMKYAYNI-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142754;MM142754;C=CC(=C)NC(=O)OC;AUBUPGSYVIJHHS-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142755;MM142755;C=C(C=O)NC(=O)OC;AVIDWQMQLCDNTQ-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142756;MM142756;C=CC(=C)OC(=C)CC;LTAVSNMKHVTMEV-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142757;MM142757;C=C(C=O)OC(=C)CC;QUXGSGUJKHFTNR-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142758;MM142758;C=C(C#N)OC(=C)CC;JSYCNIACEGWUCP-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142759;MM142759;C=CC(=C)OC(=C)CO;XJEXFVGZRDYRQM-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142760;MM142760;C=C(C#N)OC(=C)CF;PYNIUUXDKCCXGP-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142761;MM142761;C=CC(=O)OC(=C)CC;YBCGGXXKOXDAFY-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142762;MM142762;C=C(CC)OC(=O)C#N;AMOBBCVSOPLGCF-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142763;MM142763;C=C(CO)OC(=O)C=O;XVQOKHFNMZUMHK-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142764;MM142764;C=CC(=O)OC(=C)CF;JXCDXFIAAMYQDB-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142765;MM142765;C=C(CF)OC(=O)C#N;SYNZVIBXVIXAFU-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142766;MM142766;C=CC(=C)OC(=O)CC;QEJSNCSPAJUPGH-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142767;MM142767;C=C(C=O)OC(=O)CC;CFYVYVSFXHVAGC-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142768;MM142768;C=C(C#N)OC(=O)CC;APVLJOLVXJCVNH-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142769;MM142769;C=C(C=O)OC(=O)CO;MXGRJFXRIPDQJY-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142770;MM142770;C=C(C#N)OC(=O)CO;YWMQSLXXMPYUQP-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142771;MM142771;C=CC(=C)OC(=O)CF;YLNDFUQQXAQESN-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142772;MM142772;CCC1(CNC=NO)CO1;KQRYYKKCAUVDCW-UHFFFAOYSA-N;144.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142773;MM142773;C=C(C#N)OC(=O)OC;JSHRYLVBHUWNAQ-UHFFFAOYSA-N;127.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142774;MM142774;C#CC(=C)CC(=C)CC;CCJKYQHKEMLDOO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142775;MM142775;C#CC(=C)CC(=C)CN;HHXVHKNSLUWXSN-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142776;MM142776;C#CC(=C)CC(=C)CO;QZKJODMCNGNINF-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142777;MM142777;C#CC(=C)CC(=C)CF;HQQPQQADZVHQBY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142778;MM142778;C#CC(=O)CC(=C)CC;GFGHWMJODYAIRH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142779;MM142779;C#CC(=O)CC(=C)CF;WCAVQIDIHLGHDG-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142780;MM142780;C#CC(=C)CC(=O)CC;QQEPJAUBJFVUSL-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142781;MM142781;C#CC(=C)CC(=O)CF;JGWSOWHWRXNGSY-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142782;MM142782;C#CC(=C)CC(=N)NC;HCYZUHUKYYGUPK-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142783;MM142783;C#CC(=O)CC(N)=NC;MXSMUGXRUVJXNC-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142784;MM142784;C#CC(=O)CC(N)=NO;IFYRDROHZHJAOZ-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142785;MM142785;C#CC(=C)CC(=O)NC;DPCWRGVOKHANON-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142786;MM142786;C#CC(=C)CC(=O)NO;ISMSOZSWSNBCCB-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142787;MM142787;C#CC(=O)CC(=O)NC;GGKWXLLWRSRDGB-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142788;MM142788;C#CC(=O)CC(=O)NO;GLFUTANFRRWFSX-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142789;MM142789;C#CC(=C)CC(=C)OC;JLURJOQEPXCZKG-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142790;MM142790;C#CC(=O)CC(=C)OC;ZDMRNERSVNBFBI-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142791;MM142791;C#CC(=C)CC(=O)OC;JQROVOAVKDSXEI-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142792;MM142792;C#CC(=N)NC(=C)CO;KJJWKAHFDCFVTK-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142793;MM142793;C#CC(=N)NC(=C)CF;GNIVUEAXZQIIRJ-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142794;MM142794;C#CC(=O)NC(=C)CO;IAQMTSSLRVBOQM-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142795;MM142795;C#CC(=C)NC(=N)CC;CXGUZIBDQDGWDF-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142796;MM142796;C#CC(=C)NC(=N)CO;WQHJHTHFFFJRLO-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142797;MM142797;C#CC(=N)NC(=N)CC;RPCDFYRRFMIYIL-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142798;MM142798;C#CC(=C)NC(=O)CC;OBCDDHLCOYPYGA-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142799;MM142799;C#CC(=C)NC(=O)CO;XEQDVMKFBPFIJE-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142800;MM142800;C#CC(=N)NC(=O)CO;ICWOOUIQJQRNQL-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142801;MM142801;C#CC(=O)NC(=O)CC;PQBNFJJZVOZJCL-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142802;MM142802;C#CC(=O)NC(=O)CO;GLMJTJWUNOGPRD-UHFFFAOYSA-N;127.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142803;MM142803;C#CC(=C)NC(=N)NN;VKKPTYIZOVVAKU-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142804;MM142804;C#CC(=C)NC(=N)NO;RRSNDTCMEZUUCY-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142805;MM142805;C#CC(=N)NC(=N)NN;SXAJSWIFEWFKSU-UHFFFAOYSA-N;125.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142806;MM142806;C#CC(=C)NC(=O)NO;DEQZDVFAACSBQW-UHFFFAOYSA-N;126.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142807;MM142807;C#CC(=N)NC(=C)OC;JJGJNYRNTUAUOK-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142808;MM142808;C#CC(=O)NC(=O)OC;NFRAPYDEASSOHW-UHFFFAOYSA-N;127.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142809;MM142809;C#CC(=C)OC(=C)CC;MWIJDGGZGHSZCM-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142810;MM142810;C#CC(=C)OC(=C)CF;BRCGVQDVPWTFOD-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142811;MM142811;C#CC(=O)OC(=C)CC;YPJZCXHLAPMKFX-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142812;MM142812;C#CC(=C)OC(=O)CC;UDMZNJRYRFUHDJ-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142813;MM142813;C#CC(=C)OC(=O)CF;MVJBQZIXNKBARY-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142814;MM142814;C#CC(=C)OC(=O)OC;JKKHLAWCDIIJJJ-UHFFFAOYSA-N;126.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142815;MM142815;C=CC(=C)CC(=C)C=C;UNUWXVWCNSZLRW-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142816;MM142816;C=CC(=C)CC(=C)C=O;WKXJFDWPPNLVGP-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142817;MM142817;C=CC(=C)CC(=C)C#N;BLOPRNYHOFXWMD-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142818;MM142818;C=C(C#N)CC(=C)C=O;GMSIQCOSUCPYPJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142819;MM142819;C=C(C#N)CC(=C)C#N;CJICSWWKSITVFE-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142820;MM142820;C=CC(=C)CC(=O)C=C;JETCLWUZRDHLLW-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142821;MM142821;C=CC(=C)NC(=N)C=C;ALYKKPWUGFZRHT-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142822;MM142822;C=CC(=C)NC(=N)C=O;NXTDWDNFHUKNIU-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142823;MM142823;C=CC(=N)NC(=C)C=O;QJEHPEATACXGSH-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142824;MM142824;C=CC(=C)NC(=O)C=C;SDHVCZZBNHSXPA-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142825;MM142825;C=CC(=C)NC(=O)C=O;PCUDXJPHBQHCGI-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142826;MM142826;C=CC(=C)NC(=O)C#N;KLFOUPAOUBENPI-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142827;MM142827;C=CC(=O)NC(=C)C#N;RGMAUBZTFXRYJI-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142828;MM142828;C=C(C=O)NC(=O)C=O;RFDJIPOKJMVVEK-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142829;MM142829;C=Cc1c[nH]c(CC#N)n1;YLELQEBNYGTIGH-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142830;MM142830;CNC1=NC(=N)CO1;FKMJJOBFLCWTDY-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142831;MM142831;CC(F)C(F)C=NO;WVEOBNASMDBZCK-UHFFFAOYSA-N;123.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142832;MM142832;C=NN=CC(F)C=NO;ONYUOORVYWLFHL-UHFFFAOYSA-N;131.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142833;MM142833;Cn1oc(=NN)c(F)c1O;MGZOTSSWWHAORD-UHFFFAOYSA-N;147.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142834;MM142834;Nn1c(=O)[nH]c(=O)oc1=O;SLRVMHVYGGJAKL-UHFFFAOYSA-N;145.07;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142835;MM142835;C=CC(=C)OC(=C)C=C;WGSHIHHKQFJQKT-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142836;MM142836;C=CC(=C)OC(=C)C=O;GEBJQGJTTWJPCJ-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142837;MM142837;C=CC(=C)OC(=C)C#N;FYTMQEJVMGQFRB-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142838;MM142838;C=C(C#N)OC(=C)C=O;LWDPLTIPMRJQOQ-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142839;MM142839;C=C(C#N)OC(=C)C#N;RVHYHMDGUCHEDS-UHFFFAOYSA-N;120.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142840;MM142840;C=CC(=C)OC(=O)C=C;SMKRVNWXWKQYJS-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142841;MM142841;C=CC(=C)OC(=O)C#N;DJSKPTLRWYGVFW-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142842;MM142842;C=CC(=O)OC(=C)C=O;PVIUHZMKLNDSDQ-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142843;MM142843;C=CC(=O)OC(=C)C#N;YENQKAGAGMQTRZ-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142844;MM142844;C#CC(=C)CC(=C)C=C;MMAFWVGMQFHHSR-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142845;MM142845;C#CC(=C)CC(=C)C=O;PXZKJGIEXIIAAI-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142846;MM142846;C#CC(=C)CC(=C)C#N;UXWLQERYHODGIA-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142847;MM142847;C#CC(=O)CC(=C)C=C;KEHPMBZAXXKGQZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142848;MM142848;C#CC(=O)CC(=C)C#N;NUNVKRRSNPSUPW-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142849;MM142849;C#CC(=C)CC(=O)C=C;SINVKTCQWINZAW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142850;MM142850;C#CC(=C)CC(=O)C=O;ARZGZKROZABDOQ-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142851;MM142851;C#CC(=C)CC(=O)C#N;FWKGSIUAGAEVFP-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142852;MM142852;C#CC(=O)NC(=C)C#N;GQTASSSVBAZHHG-UHFFFAOYSA-N;120.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142853;MM142853;C#CC(=C)NC(=N)C=O;BIDRYSSXPJFJGE-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142854;MM142854;C=CCNNC(C)=NO;LEIGIWOQHOIXRM-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142855;MM142855;C#CC(=C)NC(=O)C=C;YSFHQWCJRPKFJJ-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142856;MM142856;C#CC(=O)NC(=O)C=C;ATSQKIIPHGNUSI-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142857;MM142857;C#CC(=C)OC(=C)C=C;NCDYYSRMUAVBTH-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142858;MM142858;C#CC(=C)OC(=C)C=O;OLRDIKYFQNARGZ-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142859;MM142859;C#CC(=C)OC(=C)C#N;IGQVEBKFCOADEM-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142860;MM142860;C#CC(=O)OC(=C)C=C;IJXNOQPLUAIFMB-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142861;MM142861;C#CC(=C)OC(=O)C=C;WVFLBVBAGULGPI-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142862;MM142862;C#CC(=C)CC(=C)C#C;AWJVDUQBICSABT-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142863;MM142863;C#CC(=C)CC(=O)C#C;TZTAQYOPDXOTRX-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142864;MM142864;C#CC(=C)OC(=C)C#C;KLWSAGVKYNFJPL-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142865;MM142865;CC=C(C)CC(C)CC;OWOZHKRTPTVIAP-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142866;MM142866;CCC(C)CC(C)=CF;RTTGZLMXSLNVCK-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142867;MM142867;CC=C(C)CC(C)CN;IQYPXZVUOWVSKI-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142868;MM142868;CC(=CF)CC(C)CN;GEQHEMLWKKKEGB-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142869;MM142869;CCC(C)C=NNC=O;UXPOTAWLSUZJJI-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142870;MM142870;CC(=CF)CC(C)CF;LCPIIDIODXXMRQ-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142871;MM142871;CC=C(F)CC(C)CC;MVIHLQJTDUTVJR-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142872;MM142872;CCC(C)CC(F)=CF;NOHQPCBVAMAOCI-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142873;MM142873;CC=C(F)CC(C)CN;GWEYUSUCYMGJJY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142874;MM142874;CC(CO)CC(F)=CF;HITZEJNWIMIEPR-UHFFFAOYSA-N;136.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142875;MM142875;CC(CF)CC(F)=CF;BSTPLJAARYMDKA-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142876;MM142876;CC=C(C)CC(N)CC;HUDGVAWFEMUQFM-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142877;MM142877;CCC(N)CC(C)=CF;NCAAJRCSDXZUFK-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142878;MM142878;CC=C(C)CC(N)CO;SFHPSWPHPIAEKP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142879;MM142879;CC=C(C)CC(N)CF;LTTFIKCDJMRHDS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142880;MM142880;CC=C(F)CC(N)CC;LFTGXLDCSBGGKI-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142881;MM142881;CCC(N)CC(F)=CF;XFASWWZEXGOXQU-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142882;MM142882;NCC(N)CC(F)=CF;DFXFYZXRNNHDMG-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142883;MM142883;NC(CO)CC(F)=CF;LPQSMPJZHMPLAH-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142884;MM142884;CC=C(F)CC(N)CF;PETMNLVYSZDWDC-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142885;MM142885;NC(CF)CC(F)=CF;HGMMBWUVINDEGT-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142886;MM142886;CNNC(=O)N(C)C=O;QSJRXERUMRJKHE-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142887;MM142887;CCC(O)CC(C)=CF;UASGGGCYEDKEOV-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142888;MM142888;CC=C(C)CC(O)CN;ZDIUCSDUZXYHKC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142889;MM142889;CC=C(C)CC(O)CO;OAGLTIZKVISVFP-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142890;MM142890;CC=C(F)CC(O)CC;OWIGKFPNXPBZBA-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142891;MM142891;CCC(O)CC(F)=CF;XMSXSDWCNMDTFG-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142892;MM142892;NCC(O)CC(F)=CF;SUMAIDFCUYCSDL-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142893;MM142893;CC=C(F)CC(O)CO;RUXJGIYSILOTAY-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142894;MM142894;OCC(O)CC(F)=CF;MPSAYWISLLSVAP-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142895;MM142895;CC=C(F)CC(O)CF;PKHAOEAMCMBOMX-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142896;MM142896;OC(CF)CC(F)=CF;JKUFNRNAPDLAHL-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142897;MM142897;CC=C(C)CC(F)CC;LFENDNDNEOKFJM-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142898;MM142898;CCC(F)CC(C)=CF;XZLSKEOUTGEDNW-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142899;MM142899;CC=C(C)CC(F)CN;WJQQWPBALWHUFL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142900;MM142900;CC=C(C)CC(F)CO;ZDBSIUOMRVYSBV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142901;MM142901;CC=C(C)CC(F)CF;NRRFFUUPGKIEFB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142902;MM142902;CC(=CF)CC(F)CF;LCJATLBXXUFECH-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142903;MM142903;CC=C(F)CC(F)CC;FEPICEDJWXPIIB-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142904;MM142904;CCC(F)CC(F)=CF;VODDGYNWWFUECY-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142905;MM142905;NCC(F)CC(F)=CF;GOYXINUYOLIDOT-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142906;MM142906;OCC(F)CC(F)=CF;CLSJNPRAHODCHQ-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142907;MM142907;CC=C(F)CC(F)CF;VCGYFNREDFUNNM-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142908;MM142908;CCC(C)CC(C)=NN;DPTAQRZCDSMGMU-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142909;MM142909;C=NNC1=NC=C(C)C1;RGUIYSHTDPNIMH-UHFFFAOYSA-N;123.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142910;MM142910;CC(CC(C)CN)=NO;UGFZXBQDORXWAH-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142911;MM142911;CC(CC(C)CF)=NO;HYJOMZSYQKZGBQ-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142912;MM142912;CC(CC(N)CN)=NO;VRXBUJNWOQDHKR-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142913;MM142913;CC(CC(N)CO)=NO;GKMIWOMIHRDOQK-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142914;MM142914;CC(CC(N)CF)=NO;VYVUWUGSOSTHNE-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142915;MM142915;NN=CCC=NNC=O;HVQSDOGXALVYBL-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142916;MM142916;CC(CC(O)CN)=NO;KBTPIGSDNWKMCA-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142917;MM142917;CC(O)(C#N)CNCC#N;LHFRQGJYRSERHB-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142918;MM142918;CC(CC(O)CO)=NO;YHINWEJCGVUJKT-UHFFFAOYSA-N;133.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142919;MM142919;CC(CC(O)CF)=NO;XEWLWBBDPAZNKQ-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142920;MM142920;CC(CC(F)CO)=NO;YSXOILBAOBOECW-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142921;MM142921;CC(CC(F)CF)=NN;PSTSZKMWXIXJED-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142922;MM142922;CC=C(C)CC(C)NC;BEMTWASGAXKEOK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142923;MM142923;CC=C(F)CC(C)NC;BKYZQRVTJZLZDK-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142924;MM142924;CNC(C)CC(F)=CF;YGETTWKQCAFUOV-UHFFFAOYSA-N;135.16;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142925;MM142925;CC=C(C)CC(C)OC;RCJQBPGVXSRDLY-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142926;MM142926;COC(C)CC(C)=CF;GBCCYUXVIOQPRW-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142927;MM142927;CC=C(F)CC(C)OC;RSFZKUQUNYFJBO-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142928;MM142928;COC(C)CC(F)=CF;SGBLNRMNWPBFLZ-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142929;MM142929;COC(C)CC(C)=NN;BOUUVDMNWCBCMX-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142930;MM142930;COC(C)CC(C)=NO;SDDCTFGKIAQGGV-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142931;MM142931;CCC(C)N=C(C)NC;XHPNJHJYVMNHRP-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142932;MM142932;CCC(C)N=C(C)NN;HSDDRZMWWQUEJQ-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142933;MM142933;CCC(C)N=C(C)NO;MBZXBSRKAQQITR-UHFFFAOYSA-N;130.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142934;MM142934;CC(=NC(C)CO)NN;JZNXFZANAJRPFO-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142935;MM142935;CC=C(C)OC(C)CC;XWNLMYOVIVWWSV-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142936;MM142936;CCC(C)OC(C)=CF;WIODRPZVINJSEV-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142937;MM142937;CC=C(C)OC(C)CN;CCFMTCWOAFOVHK-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142938;MM142938;CC=C(C)OC(C)CO;QMKHSNTVSLINIE-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142939;MM142939;CC(=CF)OC(C)CO;KFNHTWIWFAZSPY-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142940;MM142940;CC=C(C)OC(C)CF;CYIBEIHRBVJPGW-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142941;MM142941;CC(=CF)OC(C)CF;YFZPNNLPQRSIKE-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142942;MM142942;CCC(C)(C)C=NNC=O;BHNZYAOZEDCIBF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142943;MM142943;CCC(C)OC(C)=NO;AHHRGMSBURBYML-UHFFFAOYSA-N;131.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142944;MM142944;CC(=NO)OC(C)CN;DZLKMLGFZSFOCU-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142945;MM142945;NNC(=O)COCC(N)=O;IBJQNXQBSQNDBR-UHFFFAOYSA-N;147.13;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142946;MM142946;CC(=NO)OC(C)CO;IPFUORBKLLZVFQ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142947;MM142947;CC=C(F)CC(=O)NNC;QBNISPYHAGLOME-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142948;MM142948;CC=C(C)OC(C)OC;WRFZWQXFUXHHSL-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142949;MM142949;COC(C)OC(C)=CF;DULQVDFDVDXIAF-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142950;MM142950;CC=C(C)CN(C)CC;WMUCPJYLYBKGIY-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142951;MM142951;CCN(C)CC(C)=CF;CUJSVAZYMRHIAB-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142952;MM142952;C=CC(C)CC(C)=CC;PZPYFICDDFLOPU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142953;MM142953;C=CC(C)CC(C)=CF;VKGWJDZRXUCMRH-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142954;MM142954;CC=C(C)CC(C)C=O;QIGOHFLKAFHWDZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142955;MM142955;CC=C(C)CC(C)C#N;GUAQTXINRLARJN-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142956;MM142956;CC(=CF)CC(C)C#N;KGEHCVMJRPPCOT-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142957;MM142957;C=CC(C)CC(F)=CC;PMKUVYVYDXWMTR-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142958;MM142958;C=CC(C)CC(F)=CF;JZQBUODJFYDMOC-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142959;MM142959;CC=C(F)CC(C)C=O;IFZMJOWPRTWELI-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142960;MM142960;CC=C(F)CC(C)C#N;KMXINDNDANGKIG-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142961;MM142961;CC(C=O)CC(F)=CF;YZGPVCXJILCGKQ-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142962;MM142962;C=CC(N)CC(C)=CC;ITWIYJPSXNDZSA-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142963;MM142963;C=CC(N)CC(C)=CF;WNDSXRBNFHKKHA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142964;MM142964;C=CC(N)CC(F)=CC;HXWLWDNTUFDFST-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142965;MM142965;C=CC(N)CC(F)=CF;YVYZANOMJRDERP-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142966;MM142966;C=CC(C)=CC(=O)NN=C;JEZCEUQBVOVQNG-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142967;MM142967;CC=C(C)CC(O)C=O;JBGSQSPDMDUZRW-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142968;MM142968;CC=C(C)CC(O)C#N;NYZASKGLXPYGTE-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142969;MM142969;C=CC(O)CC(F)=CF;HJONYCGRYCAMBN-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142970;MM142970;CC=C(F)CC(O)C#N;HCRAUVPXRYWRDG-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142971;MM142971;C=CC(F)CC(C)=CC;XBPCQDGPZKRCTI-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142972;MM142972;C=CC(F)CC(C)=CF;MMIFEZIZNZDAEO-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142973;MM142973;CC=C(C)CC(F)C=O;XHHNLTWTJHBIPN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142974;MM142974;CC=C(C)CC(F)C#N;RSQNDXCIUHLEQE-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142975;MM142975;CC(=CF)CC(F)C=O;WNOAYNOMSRYNCH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142976;MM142976;CC(=CF)CC(F)C#N;UVAZRRAVDWRRDT-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142977;MM142977;C=CC(F)CC(F)=CC;JCJKAVVRSXVPPR-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142978;MM142978;C=CC(F)CC(F)=CF;FZEZCZLQOLNPQU-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142979;MM142979;CC=C(F)CC(F)C=O;LDANIGXXWQOBJD-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142980;MM142980;CC=C(F)CC(F)C#N;FAQASDAOEVDDCI-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142981;MM142981;N#CC(F)CC(F)=CF;RHCNNEANLPUBJI-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142982;MM142982;C=CC(C)CC(C)=NN;JURGXWCBQMGHTH-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142983;MM142983;C=CC(C)CC(C)=NO;DMCZKFHRBHHVLI-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142984;MM142984;CC(CC(C)C=O)=NO;LMKKQVSKIBLPJY-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142985;MM142985;C=CC(F)CC(C)=NN;GAGGGMUCDMRJRO-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142986;MM142986;C=CC(F)CC(C)=NO;ROJUGPFCHJENEI-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142987;MM142987;C=CC(C)NC(C)=NC;RFSSQSDJUKDFKD-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142988;MM142988;C=CC(C)N=C(C)NN;SROBTGGDRRSHFK-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142989;MM142989;C=CC(C)OC(C)=CC;UIVBFRPEAXVWGH-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142990;MM142990;CC=C(C)OC(C)C=O;UKTLWMDMYGPTFK-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142991;MM142991;CC=C(C)OC(C)C#N;QXHQFJZULAAEOW-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142992;MM142992;CC(=CF)OC(C)C=O;OWCXONLRHKHUTA-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142993;MM142993;CNNC(=O)NC=NOC;XKKJLUCYSAVPJG-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142994;MM142994;C=CC(C)OC(C)=NO;FUKRKSGIWNUSRT-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142995;MM142995;CC(=NO)OC(C)C=O;GHBYJMAMHCNFCR-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142996;MM142996;CC=C(C)CN(C)C=N;QNCZAFFCMRKCMM-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142997;MM142997;CC=C(C)CN(C)C=O;NKZNZDGQQZPCQE-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142998;MM142998;CC(=CF)CN(C)C=O;KWQCCKSZOLUGOE-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM142999;MM142999;CC=C(F)CN(C)C=N;NYFYXBSWCJBZHG-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143000;MM143000;CC=C(F)CN(C)C=O;WAYGOFLYOCSOMB-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143001;MM143001;CN(C=O)CC(F)=CF;MVLFWPFIQXZKIW-UHFFFAOYSA-N;135.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143002;MM143002;CC=C(C)CN(N)C=O;MBLKPNBANJHVAW-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143003;MM143003;CC=C(F)CN(N)C=N;TWOAZUDHZAJMQU-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143004;MM143004;CC=C(F)CN(N)C=O;AGFODBLPNQEGFA-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143005;MM143005;CC(CN(C)C=N)=NO;LODRBZAXDXKNRJ-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143006;MM143006;CC(CN(C)C=O)=NN;PLOJZMNQZQUZER-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143007;MM143007;CC(CN(C)C=O)=NO;UIQSOJKCBDCTDW-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143008;MM143008;CC(CN(N)C=N)=NN;CRRQKKYZOLKSPV-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143009;MM143009;CC(CN(N)C=N)=NO;LWUHJFNQOQTXFU-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143010;MM143010;CC(CN(N)C=O)=NN;FVVYDHIDYBJNIW-UHFFFAOYSA-N;130.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143011;MM143011;CC(CN(N)C=O)=NO;OOTCFRCAZZCEKX-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143012;MM143012;C=NN(C)CC(C)=CC;BEQOAZXZATVJIU-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143013;MM143013;C=NN(C)CC(F)=CC;RKQYFCPFRPSGDN-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143014;MM143014;C=NN(C)CC(F)=CF;CNIHEYDPVXGTSA-UHFFFAOYSA-N;134.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143015;MM143015;C=NN(C)CC(C)=NN;WWMZBBWTGPUNIF-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143016;MM143016;C=NN(C)CC(C)=NO;OHTVVAIKUHJEHK-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143017;MM143017;CN=C(C)NN(C)C=N;OWLWLURAXLVGAC-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143018;MM143018;CC(=NN)NN(C)C=N;WXZPLESRCNURHS-UHFFFAOYSA-N;129.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143019;MM143019;CN=C(C)NN(C)C=O;RJABXLAMEURBMN-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143020;MM143020;C=NNC(=O)C=CC=NN;VBJVYPLABDRFRD-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143021;MM143021;C=NOC(OC=O)C(N)=O;HQURJAZMYIQKCV-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143022;MM143022;C=C(C(=O)NN)C(F)CO;PJZUGBWYAKXYMW-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143023;MM143023;CC(=NO)ON(C)C=O;XACVTKMDMMJBEZ-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143024;MM143024;C#CC(C)CC(C)=CC;UJRXWDKLWKYLEI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143025;MM143025;C#CC(C)CC(C)=CF;SWGPHDIDZRBDCO-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143026;MM143026;C#CC(C)CC(F)=CC;UOIHMNQLZMAJBB-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143027;MM143027;C#CC(C)CC(F)=CF;UCZHLEVXGHCGFB-UHFFFAOYSA-N;130.14;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143028;MM143028;C#CC(N)CC(C)=CC;IFIUWVDJMHNBDH-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143029;MM143029;C#CC(N)CC(F)=CC;XDUURMYHBNABAK-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143030;MM143030;C#CC(N)CC(F)=CF;RUIDIFFNRBRBPE-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143031;MM143031;C#CC(O)CC(C)=CC;DFPIMRIEDOEOKZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143032;MM143032;C#CC(O)CC(C)=CF;LWUUXMYBKCVLKY-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143033;MM143033;C#CC(O)CC(F)=CC;RZLCGJCJOUKICF-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143034;MM143034;C#CC(O)CC(F)=CF;OEMAXDQMKYGNKB-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143035;MM143035;C#CC(F)CC(C)=CC;BNVQLZXMHUZBHQ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143036;MM143036;C#CC(F)CC(C)=CF;BIIZDCCMJBHRDC-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143037;MM143037;C#CC(F)CC(F)=CC;RKXDFORCQCHREQ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143038;MM143038;C#CC(F)CC(F)=CF;YUMHVMRIZYKCSZ-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143039;MM143039;C#CC(C)CC(C)=NN;NKKLMAYATRTZOO-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143040;MM143040;C#CC(C)CC(C)=NO;YBDQOZZLYMKQEN-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143041;MM143041;C#CC(N)CC(C)=NO;IRZJTPIMKNMLLB-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143042;MM143042;C=C(C(=O)NN)C(=O)NN;SLCRKFKLIIDUFY-UHFFFAOYSA-N;144.13;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143043;MM143043;C#CC(O)CC(C)=NO;ZMZUSVZZUZJHTC-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143044;MM143044;C#CC(F)CC(C)=NN;FFFAHAZZIAQVBR-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143045;MM143045;C#CC(F)CC(C)=NO;ZUBTWXJXFCLXKN-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143046;MM143046;C#CC(C)NC(C)=NC;CBFGCCIADFXTCJ-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143047;MM143047;C#CC(C)N=C(C)NN;RUERJNWEEZWBCY-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143048;MM143048;C#CC(C)OC(C)=CC;KSDZXKJKGXSSMY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143049;MM143049;C#CC(C)OC(C)=CF;CXHRELDNGIZOGN-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143050;MM143050;NC(=NOC=O)C(O)C=O;LCCNZAFMCIPGOV-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143051;MM143051;C#CC(C)OC(C)=NO;HRLGUJSHJHCORL-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143052;MM143052;C=C(CC)CC(C)=CC;KBTSIQSVNJPNMA-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143053;MM143053;C=C(CC)CC(C)=CF;SHJDZONWULYBTK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143054;MM143054;C=C(CN)CC(C)=CC;PGGGVEHFSLEAKK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143055;MM143055;C=C(CN)CC(C)=CF;BCLPPOBYKVZRMF-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143056;MM143056;C=C(CO)CC(C)=CC;HSLBMRIDXBZDCN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143057;MM143057;C=C(CF)CC(C)=CC;JFIRJYPJXWLYPD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143058;MM143058;C=C(CF)CC(C)=CF;XBPJDSYVIMGQKH-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143059;MM143059;C=C(CC)CC(F)=CC;DJSALGZXFATTEW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143060;MM143060;C=C(CC)CC(F)=CF;MPXGDLYHCDXSLF-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143061;MM143061;C=C(CN)CC(F)=CF;DGHHVKIHUFFIGK-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143062;MM143062;C=C(CO)CC(F)=CC;RLRPUWHNJZRDRM-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143063;MM143063;C=C(CO)CC(F)=CF;MZDCRZRRNJHCGU-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143064;MM143064;C=C(CF)CC(F)=CC;QNDYCKDANMHZSH-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143065;MM143065;CC=C(C)CC(=O)CC;WCGMLWCUUJVXJQ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143066;MM143066;CCC(=O)CC(C)=CF;DYBVUTXIYCZSCD-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143067;MM143067;CC=C(C)CC(=O)CF;DMTMDACXYBEORP-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143068;MM143068;CC(=CF)CC(=O)CF;ZQMYWWMKODUJQG-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143069;MM143069;CC=C(F)CC(=O)CC;YVNSURWNOWKNPW-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143070;MM143070;CCC(=O)CC(F)=CF;UWUBJKDYSWOTLD-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143071;MM143071;CC=C(F)CC(=O)CF;OUMUZAFFAXOGPJ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143072;MM143072;C=C(CC)CC(C)=NN;JVTRTGWPRDQLEA-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143073;MM143073;C=C(CC)CC(C)=NO;IVWFNKLROSMDPL-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143074;MM143074;C=C(CN)CC(C)=NO;PSRBTCVIWNKJCN-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143075;MM143075;C=C(CF)CC(C)=NN;GCJJDMWPMATIAK-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143076;MM143076;C=C(CF)CC(C)=NO;DZZDGMNMRWFOKO-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143077;MM143077;CC(CC(=O)CO)=NO;UIQBFOOYKPCULB-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143078;MM143078;CC(CC(=O)CF)=NO;OYCRMFSAJAPPIA-UHFFFAOYSA-N;133.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143079;MM143079;CC=C(C)CC(=N)NC;VWHSEQRFTDQZJK-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143080;MM143080;CC(=CF)CC(=N)NN;BLOXIZNRUCXSOD-UHFFFAOYSA-N;131.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143081;MM143081;CC=C(C)CC(=N)NO;PLIAJVNLMZUFGM-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143082;MM143082;CC=C(F)CC(=N)NC;GTLOLMQOWPLWRH-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143083;MM143083;CC=C(F)CC(=N)NN;IWJLHMHGNGRBSC-UHFFFAOYSA-N;131.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143084;MM143084;CC=C(C)CC(=O)NC;XCZZVEYJQVLRPB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143085;MM143085;CNC(=O)CC(C)=CF;JXGVSWRVKONHJY-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143086;MM143086;CC=C(F)CC(=O)NC;LBBRSAWWNWBZEL-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143087;MM143087;CNC(=O)CC(F)=CF;WDDBTKXORYIPGP-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143088;MM143088;NNC(=O)N(N)CC=CF;RLLBJTZWEPRYEE-UHFFFAOYSA-N;148.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143089;MM143089;CC=C(F)CC(=O)NO;PYUPINOUEXTQDM-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143090;MM143090;CC(CC(=N)NN)=NO;VBVYMRIBZLWGEW-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143091;MM143091;CC(CC(=N)NO)=NO;XVWSYRXRPHNIKR-UHFFFAOYSA-N;131.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143092;MM143092;NNC(=O)N(N)C=CCF;HYBLWJGQSZHIQC-UHFFFAOYSA-N;148.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143093;MM143093;NNC(=O)NCC#CCF;GOGARUXMAMSTAB-UHFFFAOYSA-N;145.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143094;MM143094;CC(CC(=O)NN)=NO;PZRYMDWTJSNTCI-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143095;MM143095;CC(CC(=O)NO)=NN;SZTMMGMRRHRWLK-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143096;MM143096;C=C(CC(C)=CC)OC;JYBOWNHKQAVSIE-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143097;MM143097;C=C(CC(C)=CF)OC;BLRTZGQRXLQPOS-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143098;MM143098;C=C(CC(F)=CC)OC;PDXWISJXULTLLT-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143099;MM143099;C=C(CC(F)=CF)OC;FXICFYOOMOOIKQ-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143100;MM143100;CC=C(C)CC(=O)OC;OUARJKDCCMXOEF-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143101;MM143101;COC(=O)CC(C)=CF;ZAKBNUIUDXZKMA-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143102;MM143102;CC=C(F)CC(=O)OC;KODYELFSRNUJJI-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143103;MM143103;C=C(CC(C)=NN)OC;DFWHUONKDRRQTE-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143104;MM143104;C=C(CC(C)=NO)OC;OEOPBXDLNZDVOC-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143105;MM143105;CC=C(C)NC(=N)CC;BAFMLVWHMMHEHU-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143106;MM143106;CCC(=N)NC(C)=CF;XHLGBBCTLBFSPD-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143107;MM143107;CC(=CF)NC(=N)CN;SYQNQOJOEGCUCZ-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143108;MM143108;CC(=CF)NC(=N)CF;KJTRAQAJZJIFGJ-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143109;MM143109;CC=C(C)NC(=O)CC;MKJHTYULXUWXJF-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143110;MM143110;CCC(=O)NC(C)=CF;PIIRACNBLOTALU-UHFFFAOYSA-N;131.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143111;MM143111;CC(=CF)NC(=O)CO;RYUCBAAYEVZMEL-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143112;MM143112;C=C(CC)N=C(C)NC;ZPRZEPYOWCQNOG-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143113;MM143113;C=C(CC)N=C(C)NN;SMQMCEQVYJSMOK-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143114;MM143114;C=C(CC)N=C(C)NO;IJCUKZMHNJYMJM-UHFFFAOYSA-N;128.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143115;MM143115;C=C(CO)NC(C)=NC;MWDXRWVKXNSVEU-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143116;MM143116;CCC(=N)NC(C)=NC;QMBYFEKQKMLEPH-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143117;MM143117;CCC(=N)NC(C)=NO;HSUWPTJYFPNSDW-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143118;MM143118;CN=C(C)NC(=N)CN;XBSDFPHTUIPKOM-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143119;MM143119;CN=C(C)NC(=N)CO;XPDXEHXZCNWTCB-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143120;MM143120;CNN=C(NN)C(=O)NN;WXFDXDRBCWTUAB-UHFFFAOYSA-N;146.15;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143121;MM143121;CCC(=O)NC(C)=NN;PAIMKPBZWCQMIT-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143122;MM143122;CN=C(C)NC(=O)CO;XQBAQOYFSSWKAL-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143123;MM143123;CC(=NN)NC(=O)CO;RZJLZQGLVQNBJT-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143124;MM143124;CC(=NO)NC(=O)CO;LKYJLVZJDRTVLI-UHFFFAOYSA-N;132.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143125;MM143125;CN=C(C)NC(=O)CF;VVKJDVVCZRBDCD-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143126;MM143126;CC(=NN)NC(=O)CF;DAHGHLBEELQDOB-UHFFFAOYSA-N;133.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143127;MM143127;CC=C(C)NC(=O)NC;YSCANQIKXXIEEL-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143128;MM143128;CN=C(C)NC(=N)NC;RPIKKXVFHMKVQZ-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143129;MM143129;CNC(=N)NC(C)=NN;UEISMISLKBNEBX-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143130;MM143130;CN=C(C)NC(=N)NN;RPAZLQUCJMKNSO-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143131;MM143131;CC(=NN)NC(=N)NN;POEZFIJVSIKZPQ-UHFFFAOYSA-N;130.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143132;MM143132;CN=C(C)NC(=N)NO;YJWMUYJJQYZHIH-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143133;MM143133;CC(=NN)NC(=N)NO;FMCKPWPRKRDDJZ-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143134;MM143134;CN(O)C(=NO)NCC=O;XQPBDCXVYUGMNX-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143135;MM143135;CNC(=O)NC(C)=NN;GAWDLQQUISSCIN-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143136;MM143136;CCC(C=NNC=O)CC;BVSSLZQEAGCOBW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143137;MM143137;CC(=NN)NC(=O)NN;VTLFYGOUQSUIFC-UHFFFAOYSA-N;131.14;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143138;MM143138;CN=C(C)NC(=O)NO;OIIGXMYBTWFAOE-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143139;MM143139;CC(=NN)NC(=O)NO;PHCXYERURIOUDR-UHFFFAOYSA-N;132.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143140;MM143140;C=C(N=C(C)NC)OC;KBTUAJUUWCBDQN-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143141;MM143141;CNC(=NO)N(O)CC=O;WYWZIDKPIXWDQM-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143142;MM143142;CC(C)c1c[nH]c(N=O)c1;JZXJZBSCEYRUOK-UHFFFAOYSA-N;138.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143143;MM143143;COC(=O)NC(C)=NN;ZBYATHWAMWCHIY-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143144;MM143144;C=C(CC)OC(C)=CC;HURCJONAVCTDRG-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143145;MM143145;C=C(CC)OC(C)=CF;NKPZXFCTHNDLLB-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143146;MM143146;C=C(CN)OC(C)=CC;JHFGHFUSRHQMBS-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143147;MM143147;C=C(CO)OC(C)=CC;YIICPGUBGCGAJC-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143148;MM143148;C=C(CO)OC(C)=CF;RBZIEMVSPSDACJ-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143149;MM143149;C=C(CF)OC(C)=CC;PVPVFIOENHPUMK-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143150;MM143150;CCC(=O)OC(C)=CF;XKYMJEDBBIQSFS-UHFFFAOYSA-N;132.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143151;MM143151;CC=C(C)OC(=O)CF;YWLIDZSBYJFWFC-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143152;MM143152;CC(=CF)OC(=O)CF;GTVFXBVXLDMMPF-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143153;MM143153;CC1CN1C=NO;SAUPPPBDQMYKKN-UHFFFAOYSA-N;100.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143154;MM143154;C=C(CC)OC(C)=NO;HVDWECFKMMDPNG-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143155;MM143155;C#CCCNC=NO;ZKGQYRBJZBUWOB-UHFFFAOYSA-N;112.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143156;MM143156;C=C(CF)OC(C)=NO;DNRWEYOFZHIJFH-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143157;MM143157;CCCC=NNC=O;LDLSWVCGSZDJQU-UHFFFAOYSA-N;114.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143158;MM143158;C=NNC(=O)C=C(C)C;RNGLGFCQFAHPJF-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143159;MM143159;CC(=NO)OC(=O)NN;FDSDRIZEOKSMJS-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143160;MM143160;C=CC(=C)CC(C)=CC;WEFXHLNJJICKNB-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143161;MM143161;C=CC(=C)CC(C)=CF;QYMVUIVLMCGLOJ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143162;MM143162;C=C(C=O)CC(C)=CC;LOWPKFIABPLOLS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143163;MM143163;C=C(C#N)CC(C)=CC;DRMUHHTVAMRUEU-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143164;MM143164;C=C(C#N)CC(C)=CF;ZQWDUTVSEXMHNE-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143165;MM143165;C=CC(=C)CC(F)=CC;ANXYTCKPHYKEHT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143166;MM143166;C=CC(=C)CC(F)=CF;UKAWVBZJEMKOLN-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143167;MM143167;C=C(C=O)CC(F)=CC;REILDOQHZAWODM-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143168;MM143168;C=C(C#N)CC(F)=CC;BZXXGUPFNOSTSG-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143169;MM143169;C=C(C#N)CC(F)=CF;RPQSLOIPGSMMOC-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143170;MM143170;C=CC(=O)CC(C)=CC;OUMKGGFRLQZMLS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143171;MM143171;CC=C(C)CC(=O)C=O;LKJTWEZVVLHSOM-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143172;MM143172;CC(=CF)CC(=O)C#N;FEOGBLAZEVSMMF-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143173;MM143173;C=CC(=O)CC(F)=CC;WVIZWTKNKUUFGJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143174;MM143174;C=CC(=O)CC(F)=CF;QBVMGQCAKDMSEH-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143175;MM143175;CC=C(F)CC(=O)C=O;SNILICHFQWMTIF-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143176;MM143176;CC=C(F)CC(=O)C#N;FFFFEQPHZDMWRC-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143177;MM143177;O=CC(=O)CC(F)=CF;JWLUHUCPLFXJML-UHFFFAOYSA-N;134.08;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143178;MM143178;N#CC(=O)CC(F)=CF;BVXJSHNCELYVMO-UHFFFAOYSA-N;131.08;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143179;MM143179;C=CC(=C)CC(C)=NN;MAKANIJNCKSIQS-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143180;MM143180;C=CC(=C)CC(C)=NO;LZLJVDCLBVVZEO-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143181;MM143181;C=CC(=N)NC(C)=CC;JWHUCCSOYZBNMA-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143182;MM143182;C=CC(=O)NC(C)=CC;CSPIADVNWPYWDT-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143183;MM143183;C=CC(=O)NC(C)=CF;VERDASFUPNEVBP-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143184;MM143184;CC=C(C)NC(=O)C=O;KVYOXDZGQYQYON-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143185;MM143185;CC=C(C)NC(=O)C#N;VOMQINLMUPSLMP-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143186;MM143186;C=CC(=C)NC(C)=NC;IMYKBWZPWQLTKD-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143187;MM143187;C=CC(=C)NC(C)=NN;GGGGOSPRHCGUEL-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143188;MM143188;C=NN(C)CC(O)C#N;PUWHHWPBDVZJHZ-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143189;MM143189;C=C(C#N)NC(C)=NC;VZTIAOOVCXANET-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143190;MM143190;C=C(C=O)NC(C)=NO;YLMUXTDMUOQFDJ-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143191;MM143191;CC(C)CC=NNC=O;SCSIWTNUGDLXQS-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143192;MM143192;CC(N=C(N)C=O)=NO;LGOJCNWPRSPKQX-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143193;MM143193;CON=C(N)C(O)C=O;QXHFHLZBTOBOHC-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143194;MM143194;C=CC(=O)NC(C)=NN;ZAITWBCNMYRJEV-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143195;MM143195;C=CC(=O)NC(C)=NO;NCYRKCLDASXSDW-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143196;MM143196;C=CC(=C)OC(C)=CC;JXPMTZMJUCNMQL-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143197;MM143197;C=CC(=C)OC(C)=CF;VCONVGDKFPEXIW-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143198;MM143198;C=C(C=O)OC(C)=CC;ORRRWQSTHPGRMK-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143199;MM143199;C=C(C#N)OC(C)=CC;GRTIZZIKXQEZHR-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143200;MM143200;C=C(C#N)OC(C)=CF;LGSOFIABIMBDCD-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143201;MM143201;C=CC(=O)OC(C)=CC;DFICRXQPHDURKH-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143202;MM143202;C=CC(=O)OC(C)=CF;BCEZJRIIVYFCPA-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143203;MM143203;CC=C(C)OC(=O)C=O;RYUJGUFELTVGTH-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143204;MM143204;CC=C(C)OC(=O)C#N;VXHDBKIWMAHGTM-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143205;MM143205;CC(=CF)OC(=O)C#N;JJHGRRWQRXJJLS-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143206;MM143206;C#CC1=NOC(=O)C1N;PJNKXASNSPCDGH-UHFFFAOYSA-N;124.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143207;MM143207;C=CC(=C)OC(C)=NO;PQCQUZYODYIRSP-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143208;MM143208;CCCCC=NNC=O;OJDKHGDXJYJFJU-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143209;MM143209;CC(=NO)OC(=O)C=O;KIFRLKXZZMNMFH-UHFFFAOYSA-N;131.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143210;MM143210;C#CC(=C)CC(C)=CC;VPIQVSCYFZSQGH-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143211;MM143211;C#CC(=C)CC(C)=CF;RSHCMOUTNVIAKC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143212;MM143212;C#CC(=C)CC(F)=CC;IBJUVWTWTPJBNL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143213;MM143213;C#CC(=C)CC(F)=CF;JHSIYNPLGXYPPB-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143214;MM143214;C#CC(=O)CC(C)=CC;FATHYBKLJMSDMU-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143215;MM143215;C#CC(=O)CC(C)=CF;ZMRAAKGQFQCDFO-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143216;MM143216;C#CC(=O)CC(F)=CC;BTXVXDMUQJXYFX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143217;MM143217;C#CC(=C)CC(C)=NN;ZABVENPMEMHTRM-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143218;MM143218;C#CC(=C)CC(C)=NO;ZPGPFOIBAQOVHS-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143219;MM143219;C#CC(=O)NC(C)=CC;HYXBNQMEKNMPPS-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143220;MM143220;C#CC(=C)NC(C)=NC;TXKLAEIVSKNQIQ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143221;MM143221;C#CC(=N)NC(C)=NC;IHKJXQNSBIHRDE-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143222;MM143222;C#CC(=O)NC(C)=NN;GUMBCDMYRTWEBX-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143223;MM143223;C#CC(=C)OC(C)=CC;CQAKJCRAYVQOAL-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143224;MM143224;C#CC(=C)OC(C)=CF;YHSZCXUBPKSVQS-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143225;MM143225;C#CC(=O)OC(C)=CC;WNWOHHCSUTXNMP-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143226;MM143226;C#CC(=O)OC(C)=CF;QVWYEPFJSUAZIA-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143227;MM143227;CC(C)(C)CN(N)C=NO;GNEQAQOMPKVRKS-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143228;MM143228;CC=C(C)CC(C)=CC;BTZVRENRMDEQKW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143229;MM143229;CC=C(C)CC(C)=CF;NGTWXNJSAWEKTM-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143230;MM143230;CC(=CF)CC(C)=CF;YYPSLLFRRXHYEL-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143231;MM143231;CC=C(C)CC(F)=CC;MKKJJEVVOZOXSX-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143232;MM143232;CC=C(C)CC(F)=CF;NBZXJMULPIUYCZ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143233;MM143233;CC=C(F)CC(C)=CF;BKOSSKAAWPHCFH-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143234;MM143234;CC(=CF)CC(F)=CF;VODRTLGBAPAMOU-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143235;MM143235;CC=C(F)CC(F)=CC;UOVGYAWKOAYURF-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143236;MM143236;CC=C(F)CC(F)=CF;BYZQMYQBROHFQR-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143237;MM143237;FC=C(F)CC(F)=CF;ISPFHTBOODYRGY-UHFFFAOYSA-N;140.08;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143238;MM143238;CC=C(C)CC(C)=NN;HBERCDPKUWFVSE-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143239;MM143239;CC=C(C)CC(C)=NO;RLGOFBBVWVVDMH-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143240;MM143240;CC(=CF)CC(C)=NO;HJTUXRVLYPWMIV-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143241;MM143241;CC=C(F)CC(C)=NN;ZOOONZBVNZMXII-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143242;MM143242;CC=C(F)CC(C)=NO;WSQURYKSZCLWCL-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143243;MM143243;C#CCC(C)(O)C(=O)NN;YKSRBFQGPVQHJK-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143244;MM143244;CC(CC(F)=CF)=NO;IHSVOMPVTKZARG-UHFFFAOYSA-N;135.11;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143245;MM143245;CC=C(C)NC(C)=NC;DRMAHGLOGYAHNE-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143246;MM143246;CC=C(C)N=C(C)NN;IREATESZDYUXKT-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143247;MM143247;CC=C(C)N=C(C)NO;YHLOJHNWONCDJP-UHFFFAOYSA-N;128.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143248;MM143248;CN=C(C)NC(C)=CF;HEWQHIVPTZJSAG-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143249;MM143249;CC=C(C)OC(C)=CC;NYISWSPNAWMMJZ-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143250;MM143250;CC=C(C)OC(C)=CF;AVZYKTXFGPJDPZ-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143251;MM143251;CC(=CF)OC(C)=CF;FBVVDHKAJHRHRX-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143252;MM143252;CC(C)CCN(N)C=NO;QOCMBZWAPIJDOP-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143253;MM143253;CC=C(C)OC(C)=NO;JVIKTTDONONZQL-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143254;MM143254;CNNC(=O)CC(C)C#N;YVXXZKVRMGMDPQ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143255;MM143255;CC(=CF)OC(C)=NO;WPPYJCUBTYMXHR-UHFFFAOYSA-N;133.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143256;MM143256;CCC(C)=CC(C)CC;OXOLZWHOQAEIAW-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143257;MM143257;CCC(C)C=C(C)CN;DEFNOSUNHIETEE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143258;MM143258;CCC(C)C=C(C)CO;WPJVSAFPWVVPTB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143259;MM143259;CCC(C)C=C(C)CF;AJVZTCWCHQJPAF-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143260;MM143260;CCC(C)=CC(C)CN;FZAZQPADQGYWKQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143261;MM143261;CC(=CC(C)CN)CF;ZVWZGYMEPHZWRR-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143262;MM143262;C=NNC(=O)C=C(C)CC;JQHVHFQPFYXNSL-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143263;MM143263;CCC(C)=CC(C)CF;WHPNLQOJPGHWRJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143264;MM143264;CC(=CC(C)CF)CN;FITWKRAHBSGNDF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143265;MM143265;CC(=CC(C)CF)CF;OWWGVCSMEKGIBX-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143266;MM143266;CCC(F)=CC(C)CC;FAKOVLNFMVXKMP-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143267;MM143267;CCC(C)C=C(F)CO;ALPXJPNZNUCGBK-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143268;MM143268;CCC(C)C=C(F)CF;UCWZQJKDQCDILG-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143269;MM143269;CCC(F)=CC(C)CN;FNJPNFOTRHIRMA-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143270;MM143270;CC(C=C(F)CN)CN;VGKWKSJLDBELRI-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143271;MM143271;CC(C=C(F)CF)CN;MSYGEKRATXZXDC-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143272;MM143272;CC(C=C(F)CF)CO;CYVWLNONZOXDCU-UHFFFAOYSA-N;136.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143273;MM143273;CC(C=C(F)CF)CF;FOGYGSPNZKIOGA-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143274;MM143274;CCC(C)=CC(N)CC;BPCNIQGHLKKKMF-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143275;MM143275;CCC(N)C=C(C)CF;IADBROICKPVEOB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143276;MM143276;CC(=CC(N)CN)CN;JSWZWZKNVKJZLJ-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143277;MM143277;CC(=CC(N)CN)CO;MBJWQWPVOFELMD-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143278;MM143278;CCC(C)=CC(N)CO;SBFQYPZQVCSHHP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143279;MM143279;CC(=CC(N)CO)CN;NYMCHRQIXLOICE-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143280;MM143280;CCC(C)=CC(N)CF;LWDAAHSCDAWCEP-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143281;MM143281;CCC(F)=CC(N)CC;VKHMUGAFPVWBEJ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143282;MM143282;CCC(N)C=C(F)CF;TWCBQOSGERZONB-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143283;MM143283;CCC(F)=CC(N)CN;HDHIFMCIYCRMRJ-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143284;MM143284;NCC(F)=CC(N)CN;PFCIOZTVEKCBJH-UHFFFAOYSA-N;133.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143285;MM143285;NCC(N)C=C(F)CO;RLPBLQVEJGRSNI-UHFFFAOYSA-N;134.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143286;MM143286;NCC(F)=CC(N)CO;KUEGBJSKWGFHSC-UHFFFAOYSA-N;134.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143287;MM143287;NC(C=C(F)CO)CO;FTZMOTRQAUUEKX-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143288;MM143288;NC(C=C(F)CF)CO;MLPPLQJUAJXOJY-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143289;MM143289;C=NOC(=N)NC(N)=NO;MWHPCJOKCXJRRO-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143290;MM143290;CC(=CC(O)CN)CN;DYWTWYLQVJEBAN-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143291;MM143291;CC(=CC(O)CN)CO;FZJSTVXSDFRDBG-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143292;MM143292;CC(=CC(O)CO)CN;MRAOTDXLVHDIJL-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143293;MM143293;CC(=CC(O)CO)CO;RLHIRNULBKGGPX-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143294;MM143294;CCC(C)=CC(O)CF;AQYVAKQPFQWXQJ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143295;MM143295;CC(=CC(O)CF)CO;VDPDXNACNRENCD-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143296;MM143296;CCC(F)=CC(O)CC;PNVCPDKKZXOSLC-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143297;MM143297;NCC(F)=CC(O)CN;KITZLIBDQKRFKX-UHFFFAOYSA-N;134.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143298;MM143298;NCC(O)C=C(F)CO;KFJDNLNDBRETAL-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143299;MM143299;NCC(O)C=C(F)CF;XHZIIHHJHDYRAT-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143300;MM143300;OCC(F)=CC(O)CO;FQOSPZCCBGPIDD-UHFFFAOYSA-N;136.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143301;MM143301;OCC(O)C=C(F)CF;NVJVBIOXQQVLBL-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143302;MM143302;CCC(F)=CC(O)CF;LMWWGFFTDAWFSH-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143303;MM143303;OCC(F)=CC(O)CF;ZVDGESZWBFTJCG-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143304;MM143304;CCC(C)=CC(F)CC;BJQKHRBQKCUFFZ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143305;MM143305;CCC(F)C=C(C)CF;SRIJDEDBVJICDF-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143306;MM143306;CCC(C)=CC(F)CN;GHIGEUOHLQEHIL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143307;MM143307;CC(=CC(F)CN)CF;CQMVTJNEVKARST-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143308;MM143308;CCC(C)=CC(F)CO;FRHRDUHJNLTMFM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143309;MM143309;CC(=CC(F)CO)CO;WXRJYVGBUOIPBC-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143310;MM143310;CC(=CC(F)CF)CF;MQLLJDKQBPWXTO-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143311;MM143311;CCC(F)=CC(F)CC;HDJOHNLXAFCFKJ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143312;MM143312;CCC(F)C=C(F)CF;DMMUSFRNSWTCIP-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143313;MM143313;NCC(F)=CC(F)CN;KQIICBNBJAFRRS-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143314;MM143314;NCC(F)C=C(F)CO;QQDGZBVZPDTXCV-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143315;MM143315;NCC(F)C=C(F)CF;VRNNPFOFUXIAHQ-UHFFFAOYSA-N;139.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143316;MM143316;OCC(F)=CC(F)CO;PHMKAVJYMUGULB-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143317;MM143317;OCC(F)C=C(F)CF;BCCZHAYTIFWIAE-UHFFFAOYSA-N;140.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143318;MM143318;CCC(C)C=C(C)OC;PKJBISAWDHCQHC-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143319;MM143319;COC(C)=CC(C)CN;KXYANXFMRMVMIR-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143320;MM143320;COC(C)=CC(C)CO;PZPSDFCFYZHRGX-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143321;MM143321;COC(C)=CC(C)CF;GFUVAVKQLIZKMZ-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143322;MM143322;CCC(N)C=C(C)OC;MONHYROJFACBNQ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143323;MM143323;COC(C)=CC(N)CN;NNTJEOCWUMRGBB-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143324;MM143324;CCC(O)C=C(C)OC;PGNQCHZWIYYXMC-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143325;MM143325;COC(C)=CC(O)CO;ZVVRTAZZJCJBPL-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143326;MM143326;CCC(F)C=C(C)OC;FJROAFIYBUTZJW-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143327;MM143327;COC(C)=CC(F)CO;YYXXSDXUGZGYKL-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143328;MM143328;CCC(C)=CC(C)NC;XBOXJVNEJOZQGO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143329;MM143329;CNC(C)C=C(F)CN;SRSZABJJIXZRPI-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143330;MM143330;CNC(C)C=C(F)CF;IYNZRMAHQBUTNM-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143331;MM143331;CCC(C)=CC(C)OC;OALVCTHKHZNYQI-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143332;MM143332;COC(C)C=C(C)CN;XVNHYSGSJKMUSM-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143333;MM143333;CCC(F)=CC(C)OC;VCRZVGOITBKJJF-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143334;MM143334;COC(C)=CC(C)OC;IOQGRQFNQZZTDY-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143335;MM143335;CCC(C)=NN(C)CC;BKTRWLPLIPHPCF-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143336;MM143336;CCN(C)N=C(C)CF;UJYFVXLYCZLJTQ-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143337;MM143337;C=CC(C)=CC(C)CC;HAEXIJCSOXLBAL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143338;MM143338;CCC(C)C=C(C)C=O;GLIOQXFDJSAAQU-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143339;MM143339;CCC(C)C=C(C)C#N;YMDOCIJBCYCODI-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143340;MM143340;C=CC(C)=CC(C)CN;UPNXQYCXPBXYDH-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143341;MM143341;CNNC(=O)COC=NN;FKYCZPZHTMIJIZ-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143342;MM143342;C=CC(C)=CC(C)CF;HCLXWBOUZWVPMA-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143343;MM143343;CC(C=O)=CC(C)CF;BJZIMTHNHGLZLJ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143344;MM143344;CC(C#N)=CC(C)CF;PUXUGOLHYTYRGN-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143345;MM143345;C=CC(F)=CC(C)CC;UDPBRZAXOUWSAR-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143346;MM143346;CCC(C)C=C(F)C=O;RXRXLJFHSDQLSD-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143347;MM143347;CCC(C)C=C(F)C#N;MPUAXHOAUQKXHV-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143348;MM143348;C=CC(F)=CC(C)CN;UOQSOOSUFLLECE-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143349;MM143349;C=CC(F)=CC(C)CO;BMOLNUWPGWRZDL-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143350;MM143350;C=CC(F)=CC(C)CF;JTKNOBJFQRLOLD-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143351;MM143351;CC(C=C(F)C=O)CF;QSWDVYLJQIPWDP-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143352;MM143352;C=CC(C)=CC(N)CC;NXCVHBINFGJFCM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143353;MM143353;C=CC(C)=CC(N)CF;MMJVIXAEHOIQIV-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143354;MM143354;C=CC(F)=CC(N)CC;VCZNFMLEHYOVNR-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143355;MM143355;C=CC(F)=CC(N)CO;OJSATYJHOXXWOP-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143356;MM143356;C=CC(F)=CC(N)CF;ULPPUDWLQPXGQP-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143357;MM143357;CCOC(=N)NN=CC#N;UURDHZGLESDDKQ-UHFFFAOYSA-N;140.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143358;MM143358;CCC(O)C=C(C)C=O;GCLASIXVIPQIMI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143359;MM143359;CCC(O)C=C(C)C#N;GVDPMMATNWUEEL-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143360;MM143360;CC(C=O)=CC(O)CO;KIQYOXDDDRNHDS-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143361;MM143361;CC(C#N)=CC(O)CO;YIIAPAHTTUWZNZ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143362;MM143362;C=CC(C)=CC(O)CF;UNQNYCMLPPRDBN-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143363;MM143363;CC(C=O)=CC(O)CF;CRBYYFFTHQZXQD-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143364;MM143364;C=CC(F)=CC(O)CC;GNXFYCRIKRFUMO-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143365;MM143365;CCC(O)C=C(F)C=O;QETSAPGNKASKTL-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143366;MM143366;C=CC(F)=CC(O)CN;IEVWVKYSDUNVAE-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143367;MM143367;O=CC(F)=CC(O)CO;IEIXWCLYDOBPNX-UHFFFAOYSA-N;134.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143368;MM143368;N#CC(F)=CC(O)CO;LZWHYXOCPNUQNP-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143369;MM143369;C=CC(F)=CC(O)CF;SSWVCIRPUVCZMB-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143370;MM143370;O=CC(F)=CC(O)CF;BWFYICBHAPPRHQ-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143371;MM143371;C=CC(C)=CC(F)CC;RLWIRMZDTOKFGX-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143372;MM143372;CCC(F)C=C(C)C=O;XTLJLOXMGPGSAD-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143373;MM143373;CCC(F)C=C(C)C#N;DWRMTUJSKXSJKM-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143374;MM143374;C=CC(C)=CC(F)CN;QYDBVSAFLYECSV-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143375;MM143375;C=CC(C)=CC(F)CO;ZSAQRXNPSMEPGX-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143376;MM143376;CC(C=O)=CC(F)CO;OVWAZIIWLJIATB-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143377;MM143377;C=CC(C)=CC(F)CF;FFRJFNOHXLHWAX-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143378;MM143378;CC(C=O)=CC(F)CF;ZNOMXIFZKZGLOJ-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143379;MM143379;CC(C#N)=CC(F)CF;HYNJHRNDNVBXLP-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143380;MM143380;C=CC(F)=CC(F)CC;UJHLMSDKKCEZCJ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143381;MM143381;CCC(F)C=C(F)C=O;OCWVRGLTRZEXLR-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143382;MM143382;CCC(F)C=C(F)C#N;PHNNEJWZHDEYIP-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143383;MM143383;C=CC(F)=CC(F)CN;HEZSEDSUIOEZLE-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143384;MM143384;C=CC(F)=CC(F)CO;DOVMVRXZFGIAOM-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143385;MM143385;O=CC(F)=CC(F)CO;JQISQDNLQUXPKA-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143386;MM143386;C=CC(F)=CC(F)CF;TWWKEFVZJDTYMV-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143387;MM143387;O=CC(F)=CC(F)CF;INYDWGZEGXLABS-UHFFFAOYSA-N;138.09;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143388;MM143388;N#CC(F)=CC(F)CF;OIFVIVCUUMSDPE-UHFFFAOYSA-N;135.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143389;MM143389;CNC(C)C=C(C)C#N;NSNFHMNCZPPBNQ-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143390;MM143390;C=CC(F)=CC(C)NC;LGPSLJQSYFQQNV-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143391;MM143391;C=CC(C)=CC(C)OC;LRAPBHZXBALKFK-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143392;MM143392;COC(C)C=C(C)C=O;GKYBKMJEQJMRHO-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143393;MM143393;COC(C)C=C(C)C#N;VVCOKQKFDGETAA-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143394;MM143394;C=CC(F)=CC(C)OC;BXTKAIVXAATYII-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143395;MM143395;COC(C)C=C(F)C#N;YNZLUMBWYQFMRS-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143396;MM143396;CCN(C)C=C(C)C=O;QYCKMASIKWCDRZ-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143397;MM143397;CCN(C)C=C(C)C#N;BDACTPPMXWNILT-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143398;MM143398;CCN(C)C=C(F)C=O;GSTQBUUKZFUOIA-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143399;MM143399;CCN(C)C=C(F)C#N;IURWKKNEJUMWIQ-UHFFFAOYSA-N;128.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143400;MM143400;C#CC(C)=CC(C)CC;VZQPHBGNGCODSL-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143401;MM143401;C#CC(C)=CC(C)CN;OISKTGUOICFGPQ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143402;MM143402;C=NNC(=O)C=CC=CC;FSHNUSBUPGDQON-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143403;MM143403;C#CC(C)=CC(C)CF;XDICAQMQICAYOF-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143404;MM143404;C#CC(F)=CC(C)CC;PCWFSKHEBLHZLT-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143405;MM143405;C#CC(F)=CC(C)CN;SHVMTZHRUXRGOT-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143406;MM143406;C#CC(F)=CC(C)CO;APNOYEYRYLIVNO-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143407;MM143407;C#CC(C)=CC(N)CC;JJAGHAQRKVHUIW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143408;MM143408;C#CC(C)=CC(N)CN;QPMVLSUNSKNHAZ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143409;MM143409;C#CC(C)=CC(N)CO;ZIJGWABSBQKKGO-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143410;MM143410;C#CC(C)=CC(N)CF;UPXYMDLHJOTRCT-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143411;MM143411;C#CC(F)=CC(N)CC;JDBMKVJFEDWTBV-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143412;MM143412;C#CC(F)=CC(N)CN;UGXVVJXOJLKMSY-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143413;MM143413;C#CC(F)=CC(N)CO;QLWAJFFKZBQOOH-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143414;MM143414;C#CC(F)=CC(N)CF;CZLNIHZCTOZRBW-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143415;MM143415;C#CC(O)(CO)CNN=C;FTUAZKHNTXJZQJ-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143416;MM143416;C#CC(C)=CC(O)CN;TWZPMUQRGMBANT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143417;MM143417;C#CC(C)=CC(O)CO;GFLDUVABIHKWFZ-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143418;MM143418;C#CC(C)=CC(O)CF;GDODVWMYLUKZGE-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143419;MM143419;C#CC(F)=CC(O)CC;QZMHFKPDUDKLBH-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143420;MM143420;C#CC(F)=CC(O)CN;QKMLPCODCGYLLY-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143421;MM143421;C#CC(F)=CC(O)CO;UEKXQAOFDHFWCP-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143422;MM143422;C#CC(F)=CC(O)CF;FMWWYZMREBEMOM-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143423;MM143423;C#CC(C)=CC(F)CC;BDKRDMBVQHOIBC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143424;MM143424;C#CC(C)=CC(F)CN;GKAZQYIOMLLOHX-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143425;MM143425;C#CC(C)=CC(F)CO;HGNQXIRSKSXALW-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143426;MM143426;C#CC(C)=CC(F)CF;JQJIAVVNKOTALK-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143427;MM143427;C#CC(F)=CC(F)CC;RIQDMECRDKIGGF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143428;MM143428;C#CC(F)=CC(F)CN;ZRJQHBWCQSMWKY-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143429;MM143429;C#CC(F)=CC(F)CO;RFGXQIIPUQGLOH-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143430;MM143430;C#CC(F)=CC(F)CF;OSKJLFFSEFQHIP-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143431;MM143431;C#CC(C)=CC(C)NC;DVFDFSGAAPFSDV-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143432;MM143432;C#CC(F)=CC(C)NC;XJKWELFPRLNLCK-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143433;MM143433;C#CC(C)=CC(C)OC;VDYNHWRGIXPCRZ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143434;MM143434;C#CC(F)=CC(C)OC;JBKUDMXVBYLZTE-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143435;MM143435;C#CC(C)=NN(C)CC;ICSCRZUAZBKLTB-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143436;MM143436;C=CC(C)C=C(C)CC;MTDBFGCYZUODTC-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143437;MM143437;C=CC(C)C=C(C)CN;KVOQKVLBDIPWNC-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143438;MM143438;C=CC(C)C=C(C)CO;BQNCPGUJKRTUGX-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143439;MM143439;C=CC(C)C=C(C)CF;NGBSWLVTHSNVLE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143440;MM143440;CCC(C)=CC(C)C=O;MQBZYIISCKZCIH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143441;MM143441;CCC(C)=CC(C)C#N;UXVASAFDAAEEKE-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143442;MM143442;CC(=CC(C)C=O)CF;NAGARZQZEZMGLN-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143443;MM143443;CC(=CC(C)C#N)CF;MUXATVJOIGUJJF-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143444;MM143444;C=CC(C)C=C(F)CC;NJPZONLMGFUDDW-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143445;MM143445;C=CC(C)C=C(F)CF;RFUOAXHMVVEVPF-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143446;MM143446;CCC(F)=CC(C)C=O;XZHIPVKPROLPTA-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143447;MM143447;CCC(F)=CC(C)C#N;UJKDZHSRTJGFPK-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143448;MM143448;C=CC(N)C=C(C)CC;OJILEOKTPKNTMP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143449;MM143449;C=CC(N)C=C(F)CC;SRAMRSRCTZHZBN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143450;MM143450;C=CC(N)C=C(F)CO;LJZOIZDXUDHOMR-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143451;MM143451;C=CC(N)C=C(F)CF;CKXNLUSWFYWMLW-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143452;MM143452;C=C(C=O)CNC(C)=NO;NFQMOMGWLRQEHO-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143453;MM143453;C=CC(O)C=C(C)CO;XRQKRCSTIFMGLG-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143454;MM143454;CCC(C)=CC(O)C#N;DNECSBMXTLALJD-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143455;MM143455;CC(=CC(O)C#N)CO;HLIMGBYIQSHYSG-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143456;MM143456;C=CC(O)C=C(F)CC;UVAHGTUFJJGZRX-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143457;MM143457;C=CC(O)C=C(F)CF;HUGNENHSUMIIAL-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143458;MM143458;CCC(F)=CC(O)C#N;YZRZZPIRIAGXIL-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143459;MM143459;O=CC(O)C=C(F)CF;KOACWHZHPKXABL-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143460;MM143460;C=CC(F)C=C(C)CC;RCBXCWXWARIWDC-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143461;MM143461;C=CC(F)C=C(C)CN;KONGXKPFYZYRJP-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143462;MM143462;C=CC(F)C=C(C)CO;HSHAACGYIZYEBI-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143463;MM143463;C=CC(F)C=C(C)CF;SOXKSQDEYWDQGI-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143464;MM143464;CCC(C)=CC(F)C=O;WLNPXNWFBGYGTL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143465;MM143465;CCC(C)=CC(F)C#N;MFORVIHSMKGMCF-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143466;MM143466;C=CC(F)C=C(F)CC;JQCHCPMDBSVHIZ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143467;MM143467;C=CC(F)C=C(F)CO;GBJNTJYERPOLNO-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143468;MM143468;CCC(F)=CC(F)C=O;RKJGQMJHBIGLLO-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143469;MM143469;CCC(F)=CC(F)C#N;ZUHMMMQOCWGYOS-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143470;MM143470;O=CC(F)C=C(F)CO;LXHURSYENKOZGZ-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143471;MM143471;O=CC(F)C=C(F)CF;JUXZBQAWFVSUOA-UHFFFAOYSA-N;138.09;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143472;MM143472;N#CC(F)C=C(F)CF;YDWARNRKEPWMNH-UHFFFAOYSA-N;135.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143473;MM143473;C=CC(C)C=C(C)OC;NHYPRURUWATGEK-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143474;MM143474;COC(C)=CC(C)C=O;BYWRNWKCNWBUDV-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143475;MM143475;COC(C)=CC(C)C#N;NOUSWAOCWCKUBN-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143476;MM143476;C=CC(N)C=C(C)OC;MZDNOAXBXJONNB-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143477;MM143477;C=CC(O)C=C(C)OC;OHLSDWNFGCPOIT-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143478;MM143478;C=CC(F)C=C(C)OC;OHWKNFXSJLGXRX-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143479;MM143479;CCC(C)=CN(C)C=N;IITDSCOPBNRVNW-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143480;MM143480;CC(=CN(C)C=N)CN;FJHQKBOOCSTXHM-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143481;MM143481;CC(=CN(C)C=N)CF;NCJFXVOULXXABS-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143482;MM143482;CCC(C)=CN(C)C=O;NZFMSZXETWFVOW-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143483;MM143483;CC(=CN(C)C=O)CN;QAJZFVDUXBUWHJ-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143484;MM143484;CCC(F)=CN(C)C=N;JYGZXYNPRGGDKZ-UHFFFAOYSA-N;130.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143485;MM143485;CCC(F)=CN(C)C=O;ARRQRAHKACBWGM-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143486;MM143486;CC(=CN(N)C=N)CO;IKDGSXCQPSDVPG-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143487;MM143487;CCC(C)=CN(N)C=O;IZHZASRCXZVDQT-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143488;MM143488;C#CC(=C)CNC(C)=NO;OLCKWBDYEJZIQA-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143489;MM143489;CCC(F)=CN(N)C=O;DSSOBCHUSJBFAL-UHFFFAOYSA-N;132.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143490;MM143490;CCC(C)=CN(O)C=N;KENHKVYQEYKSGM-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143491;MM143491;CC(=CN(O)C=N)CN;ZSXOVNXQUNKQJF-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143492;MM143492;CC(=CN(O)C=O)CO;ITZXKYVYNGAHIJ-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143493;MM143493;COC(C)=CN(N)C=N;IGNVPJKMVFBXJQ-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143494;MM143494;COC(C)=CN(N)C=O;IBMNHYCSJDUPBP-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143495;MM143495;COC(CO)OC(=O)NN;GNKWWDOHINWKLE-UHFFFAOYSA-N;150.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143496;MM143496;CC(CN)=NN(C)C=O;AUGHKMUYGAXYRK-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143497;MM143497;CCC(N)=CC(=NO)NN;ZSOVHANOOAQXJU-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143498;MM143498;COC(C)=NN(C)C=N;WBHZVNATEWMYDQ-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143499;MM143499;C=CC(C)=CC(C)C=C;ISIRBMCIXXCIKJ-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143500;MM143500;C=CC(C)C=C(C)C=O;ZUODQJUZAFFDNI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143501;MM143501;C=CC(C)C=C(C)C#N;WHYQIRKDDWBPNG-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143502;MM143502;C=CC(C)=CC(C)C=O;FRQYVZATTRKIHZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143503;MM143503;C=CC(C)=CC(C)C#N;SOTUZRAUMJDEBF-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143504;MM143504;CC(C=O)=CC(C)C=O;LMDUPYFEGFCXBR-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143505;MM143505;C=CC(F)=CC(C)C=C;QQNRCEKNLNRWKT-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143506;MM143506;C=CC(C)C=C(F)C=O;KSLKZCIZNUSLKN-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143507;MM143507;C=CC(C)C=C(F)C#N;QUDBIPWHBAOLTP-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143508;MM143508;C=CC(F)=CC(C)C=O;WBNLGFBCADQZOF-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143509;MM143509;C=CC(F)=CC(C)C#N;HYRQMNFHJMLZJP-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143510;MM143510;CC(C=O)C=C(F)C=O;HVMBMEAWZXWVBC-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143511;MM143511;CC(C#N)C=C(F)C=O;QPEYJXIPWKKGQA-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143512;MM143512;CC(C#N)C=C(F)C#N;HJBGLAODALMQNG-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143513;MM143513;C=CC(C)=CC(N)C=C;ZQHAQNXHDCYLDH-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143514;MM143514;C=CC(F)=CC(N)C=C;WZJNDDBFUPNLIY-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143515;MM143515;C#CC(C)C(O)C(=O)NN;NTVSXNKYNRWLBY-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143516;MM143516;C=CC(O)C=C(C)C#N;NRSLMDFTEVDRAP-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143517;MM143517;C=CC(C)=CC(O)C#N;WLCRUEKAOXLTDQ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143518;MM143518;CC(C=O)=CC(O)C=O;IQXIPFMYSGDJTC-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143519;MM143519;CC(C#N)=CC(O)C#N;GOSFIRNPVDWOJO-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143520;MM143520;C=CC(F)=CC(O)C=C;TXUHCMLPHGDVGT-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143521;MM143521;C=CC(O)C=C(F)C#N;HTQANCKCXNCMOP-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143522;MM143522;C=CC(F)=CC(O)C=O;WBOIQSQYSHYNKO-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143523;MM143523;O=CC(F)=CC(O)C=O;ZEKUHSXKHPXRQA-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143524;MM143524;C=CC(C)=CC(F)C=C;GAYIUGDKRBCMQL-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143525;MM143525;C=CC(F)C=C(C)C=O;UZQOYTBBJWVXFJ-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143526;MM143526;C=CC(F)C=C(C)C#N;YBFZOQZYPVINDE-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143527;MM143527;C=CC(C)=CC(F)C=O;UCJJUDINJSGICP-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143528;MM143528;C=CC(C)=CC(F)C#N;ABQAULMWZISONV-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143529;MM143529;CC(C=O)=CC(F)C#N;MXWYRDBFGQQJBY-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143530;MM143530;CC(C#N)=CC(F)C#N;WUESQCFZPNTVKK-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143531;MM143531;C=CC(F)=CC(F)C=C;RWIXMILMTSZBTN-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143532;MM143532;C=CC(F)C=C(F)C=O;URGZUZZHPXOGQO-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143533;MM143533;C=CC(F)C=C(F)C#N;GUSSFJSYEAIOGH-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143534;MM143534;C=CC(F)=CC(F)C#N;UQLFQRTVNNSEKU-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143535;MM143535;N#CC(F)C=C(F)C=O;QKZGIFWBKOXVFM-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143536;MM143536;N#CC(F)=CC(F)C=O;GADLBKBWYTXBDC-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143537;MM143537;C=CC(C)=CN(C)C=N;MAFOSVSIEFEPKE-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143538;MM143538;C=CC(C)=CN(C)C=O;AGRGOROCPGASSN-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143539;MM143539;C=CC(F)=CN(C)C=N;JLFJMGCJAYFMLY-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143540;MM143540;C=CC(F)=CN(C)C=O;ANNFAZHNHGLTLI-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143541;MM143541;C=CC(C)=CN(N)C=N;PVVTZUSHAPSVIB-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143542;MM143542;C=CC(C)=CN(N)C=O;PXQCKVHONQKLMY-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143543;MM143543;C=CC(C)=CN(O)C=N;PDQGWTJNKFSSGX-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143544;MM143544;C=CC(C)=CN(O)C=O;PMEGLHZEEIZYAA-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143545;MM143545;C=NN(C)C=C(C)C=O;AKMFRELFBYGTRJ-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143546;MM143546;C=NN(C)C=C(F)C#N;SEIJZADKMGZVGQ-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143547;MM143547;CC(C=O)=NN(C)C=N;GRZYVWCDWBCLRI-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143548;MM143548;C=CC(C)=NN(C)C=O;XKKMAFIEYDRNSQ-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143549;MM143549;CC(C=O)=NN(C)C=O;HZSFSLMHPRHMSD-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143550;MM143550;C#CC(C)=CC(C)C=C;QPGOAPSVWWBYEU-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143551;MM143551;C#CC(C)=CC(C)C=O;XUVIQEDTDJDAFX-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143552;MM143552;C#CC(C)=CC(C)C#N;SITCQMCZICJVQJ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143553;MM143553;C#CC(F)=CC(C)C=C;DTFPNAFQEOKTBR-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143554;MM143554;C#CC(F)=CC(C)C=O;UNIAYBPGNXGLEO-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143555;MM143555;C#CC(F)=CC(C)C#N;NMKUPYIWVYRASN-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143556;MM143556;C#CC(C)=CC(N)C=C;ICIXPETUSBMWGJ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143557;MM143557;C#CC(F)=CC(N)C=C;FPYDDMRXJKIUFJ-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143558;MM143558;C#CC(C)=CC(O)C=C;IQTGEPRVBHTWSQ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143559;MM143559;C#CC(C)=CC(O)C=O;ASTKRNYSBJGFAR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143560;MM143560;C#CC(C)=CC(F)C=C;NXSWDYFKDBVCTN-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143561;MM143561;C#CC(C)=CC(F)C=O;AZJKITNTXSSTRU-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143562;MM143562;C#CC(C)=CC(F)C#N;YMPIEQINUQGPNT-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143563;MM143563;C#CC(F)=CC(F)C=C;QHSXIMNMRBMMNF-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143564;MM143564;C#CC(F)=CC(F)C=O;LFQAABWDPMAMIL-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143565;MM143565;C#CC(F)=CC(F)C#N;SFKQYLQTDGJYFP-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143566;MM143566;C#CC(C)=CN(N)C=O;AZHPSHLYFQCCQS-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143567;MM143567;C#CC(C)=CN(O)C=O;COAVEQCRJMUIOU-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143568;MM143568;C#CC(C)=NN(C)C=N;SDTPUSYDMAIPSL-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143569;MM143569;C#CC(C)C=C(C)CC;AMRWCWZRZSCSIQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143570;MM143570;C#CC(C)C=C(C)CN;FSSQHMXGEUKQNZ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143571;MM143571;C#CC(C)C=C(C)CF;WHXXTDKLRFGADN-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143572;MM143572;C#CC(C)C=C(F)CC;OAFDMETXYRVGSI-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143573;MM143573;C#CC(C)C=C(F)CF;BWASEKWZGZLZBD-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143574;MM143574;C#CC(N)C=C(C)CC;DMCNPFUXEFQJRF-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143575;MM143575;C#CC(N)C=C(F)CC;JRFDOPHVAJGTSW-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143576;MM143576;C#CC(O)C=C(C)CC;IOXDTQSXLJRAJE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143577;MM143577;C#CC(O)C=C(C)CN;XCNNYAQAEZZZCT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143578;MM143578;C#CC(O)C=C(F)CF;NUFSVPZVUGECDV-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143579;MM143579;C#CC(F)C=C(C)CC;BWAANECYSAGLEI-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143580;MM143580;C#CC(F)C=C(C)CO;UUNRIEUVDQHKJG-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143581;MM143581;C#CC(F)C=C(C)CF;JDSFFVKYGJIPPR-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143582;MM143582;C#CC(F)C=C(F)CF;WDDPOFLIRAUDMV-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143583;MM143583;C#CC(C)C=C(C)OC;CRQIFEOFZFIWSY-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143584;MM143584;C#CC(O)C=C(C)OC;POJSCNOJHUSZBB-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143585;MM143585;C#CC(F)C=C(C)OC;UMOLKXJYHLDCSB-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143586;MM143586;C#CC(C)C=C(C)C=C;RTSMQOYMWKRMLK-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143587;MM143587;C#CC(C)C=C(C)C=O;OSGSPYGBIHWLSY-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143588;MM143588;C#CC(C)C=C(C)C#N;JAMKPUAVILOVCB-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143589;MM143589;C#CC(C)C=C(F)C=C;GSWWDVCZJWGPDY-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143590;MM143590;C#CC(C)C=C(F)C=O;ZMMCHXKSPPUKBO-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143591;MM143591;C#CC(C)C=C(F)C#N;BNTLVJXKKKFMCI-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143592;MM143592;C#CC(N)C=C(C)C=C;QVOXTMYBNUMILL-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143593;MM143593;C#CC(N)C=C(F)C=C;XDSHMCDEMUJBEO-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143594;MM143594;C#CC(O)C=C(C)C=C;HEKQKPMTQCWKNW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143595;MM143595;C#CC(O)C=C(F)C=C;DHLGAWQZHSNDGV-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143596;MM143596;C#CC(O)C=C(F)C#N;ZWQSMEPCWKRWNX-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143597;MM143597;C#CC(F)C=C(C)C=C;UTOQXMPIRNUDLA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143598;MM143598;C#CC(F)C=C(C)C=O;IEUVGXVYWZLRGT-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143599;MM143599;C#CC(F)C=C(C)C#N;JWMBFTCNKCBOBC-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143600;MM143600;C#CC(F)C=C(F)C=C;JMOMIAGGGVXGMT-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143601;MM143601;C#CC(F)C=C(F)C=O;NMZMVALWBHTILE-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143602;MM143602;C#CC(C)=CC(C)C#C;LUHVIHXAOCRZQV-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143603;MM143603;C#CC(F)=CC(C)C#C;UQVIHVSRZULWEH-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143604;MM143604;C#CC(C)=CC(N)C#C;BBZVCNVEANPADI-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143605;MM143605;C#CC(F)=CC(N)C#C;AHCSZLWJPYWXOO-UHFFFAOYSA-N;123.13;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143606;MM143606;C#CC(C)=CC(O)C#C;ZFNGCVVZIKSQDY-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143607;MM143607;C#CC(C)=CC(F)C#C;QFXRFQSDZYOVTK-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143608;MM143608;C#CC(F)=CC(F)C#C;PKBCQLFTBOVYLC-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143609;MM143609;C=C(C=C(C)CC)CC;NZQXNQBVRLIART-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143610;MM143610;C=C(C=C(C)CN)CC;FZWALRKXSHFQNR-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143611;MM143611;C=C(C=C(C)CO)CC;SALVMXQDYUMMJN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143612;MM143612;C=C(C=C(C)CF)CC;MYRWGLHPQSTUAT-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143613;MM143613;C=C(C=C(C)CC)CN;FTQWYIQNXXBTBD-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143614;MM143614;C=C(C=C(C)CN)CN;NWDGGSPFMVAHKS-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143615;MM143615;C=C(C=C(C)CF)CN;RQHRQOTYTJRUHC-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143616;MM143616;C=C(C=C(C)CC)CO;BMEPBLCVIICILC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143617;MM143617;C=C(C=C(C)CC)CF;KDYPZLLSAQIXIS-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143618;MM143618;C=C(C=C(C)CN)CF;DJCSNNCCYRXPFR-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143619;MM143619;C=C(C=C(C)CO)CF;BRCUVPBETYIZBZ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143620;MM143620;C=C(C=C(C)CF)CF;FGMCOTXGWSNMMB-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143621;MM143621;C=C(C=C(F)CC)CC;HIPHPDUIJCHPMB-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143622;MM143622;C=C(C=C(F)CF)CC;ZWXIYGNKQSULLW-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143623;MM143623;C=C(C=C(F)CC)CN;SDFCZMDMXSMQOE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143624;MM143624;C=C(C=C(F)CN)CN;QYZCJFFFYVKWHK-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143625;MM143625;C=C(C=C(F)CO)CN;UBNJFUADXMZGSF-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143626;MM143626;C=C(C=C(F)CF)CN;ZQTKFDPGKZWCLA-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143627;MM143627;C=C(C=C(F)CC)CF;ZENUGRRTQHVNAH-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143628;MM143628;C=C(C=C(F)CO)CF;OTHAZWXSNVCSLN-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143629;MM143629;C=C(C=C(F)CF)CF;LWYRKRRBCJFSDQ-UHFFFAOYSA-N;136.12;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143630;MM143630;CCC(=O)C=C(C)CC;XJEHTASYOBAEDB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143631;MM143631;CCC(=O)C=C(C)CO;IFNMQEVZMDPVMX-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143632;MM143632;CCC(=O)C=C(C)CF;UUODEZWMNKAJNZ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143633;MM143633;CCC(C)=CC(=O)CF;IMEVXSUCSHVZNQ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143634;MM143634;CC(=CC(=O)CF)CF;CTLGAZKMJSVIIJ-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143635;MM143635;CCC(N)=CC(=O)CO;MGHQYVCREUOEHN-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143636;MM143636;NC(=CC(=O)CO)CO;UXXKRERZIGOATB-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143637;MM143637;NC(=CC(=O)CF)CO;KQBOZOKEPKNIGX-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143638;MM143638;CCC(=O)C=C(F)CC;LSUQUSDNPRCVCR-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143639;MM143639;CCC(=O)C=C(F)CF;LIAAKDJOMPORJP-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143640;MM143640;CCC(F)=CC(=O)CF;NOIAMWUTKJOZMG-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143641;MM143641;CCC(=O)C=C(C)NC;WSRWRKJHWNZQBW-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143642;MM143642;CNC(C)=CC(=O)CO;CXDVQYUIFJJWOM-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143643;MM143643;CCC(=O)C=C(N)NC;NJXWIXRQDFRSOF-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143644;MM143644;CNC(N)=CC(=O)CO;WUTGRJMUNQDRSD-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143645;MM143645;C=C(C=C(C)OC)CC;GLXFTXOMFZEAGY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143646;MM143646;C=C(C=C(C)OC)CN;AIPOXXAXCSKUBK-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143647;MM143647;C=C(C=C(C)OC)CO;HNFMUSXWCAIDHD-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143648;MM143648;C=C(C=C(C)OC)CF;KWHGKUXABVSJSL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143649;MM143649;CCC(=O)C=C(C)OC;NIRUWSWNXPHVBS-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143650;MM143650;COC(C)=CC(=O)CO;MNUBNIFGHFQYMH-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143651;MM143651;COC(C)=CC(=O)CF;NPVYYBYULNUEMC-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143652;MM143652;COC(N)=CC(=O)CF;UREKEBFXSQAICC-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143653;MM143653;CCC(C)=CC(=N)NC;WQNSEMKUIZDBSL-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143654;MM143654;CNC(=N)C=C(C)CF;ZIAWTRXRLMTMMC-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143655;MM143655;CCC(C)=CC(=N)NN;MHEWYAUGVGGMMD-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143656;MM143656;CCC(C)=CC(=N)NO;QHCXVGJPPCXXLL-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143657;MM143657;CC(=CC(=N)NO)CN;FSYNSLVBXUVHOD-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143658;MM143658;CCC(N)=CC(=N)NC;FTVOGORNMFAHAV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143659;MM143659;CCC(N)=CC(=N)NN;DUOIFEJRRAMNLZ-UHFFFAOYSA-N;128.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143660;MM143660;CCC(N)=CC(=N)NO;YXUQJGNOHGHJRP-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143661;MM143661;CCC(F)=CC(=N)NC;WRHOCFUQOZYFDF-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143662;MM143662;CCC(F)=CC(=N)NN;BSNNEGXHOOIFGL-UHFFFAOYSA-N;131.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143663;MM143663;N=C(C=C(F)CF)NN;FPZWPXGHKBBLCV-UHFFFAOYSA-N;135.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143664;MM143664;NNC(=O)C(O)C=CCO;WAWRNRBQAABDRP-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143665;MM143665;CNC(=O)C=C(C)CN;KCQOIWGAXFCXDY-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143666;MM143666;CNC(=O)C=C(C)CO;HYXPCEDVUMTYHQ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143667;MM143667;COCCNNC(=O)NN;CXQRSPNHMOGCOQ-UHFFFAOYSA-N;148.17;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143668;MM143668;N#CC(O)CNN=CCO;CJOIOMUWVTUEMK-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143669;MM143669;CC(=CC(=O)NO)CN;PLTFAQFGABASLL-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143670;MM143670;CC(=CC(=O)NO)CO;KJPGLXDQTITFTG-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143671;MM143671;NNC(=O)OCC#CCO;PFDFUIDOLPWCMH-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143672;MM143672;CNC(=O)C=C(N)CN;AGGLBNKLSLUKHZ-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143673;MM143673;CC(=NO)NCCNC=O;PENRJGVSDMFKQI-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143674;MM143674;NNC(=O)NC=COC=O;DDHIGZBFDWHGGF-UHFFFAOYSA-N;145.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143675;MM143675;CCCC(=NO)NCCO;WHVTUGVTNUZGSX-UHFFFAOYSA-N;146.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143676;MM143676;CCC(N)=CC(=O)NO;JKKOIJYPZJECHW-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143677;MM143677;NC(=CC(=O)NO)CO;GFYHYPRVTOTHAV-UHFFFAOYSA-N;132.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143678;MM143678;NC(=CC(=O)NO)CF;DBVLUJIVUZFYRY-UHFFFAOYSA-N;134.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143679;MM143679;CCC(F)=CC(=O)NC;DVWQPPQEMWCKSL-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143680;MM143680;C=CC(=NO)NNCC=O;AIQSYJYIFOLQIM-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143681;MM143681;CCC(F)=CC(=O)NO;PEVSEMQDCWTFGI-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143682;MM143682;CNC(C)=CC(=N)NN;AZWXBKPJFFODEX-UHFFFAOYSA-N;128.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143683;MM143683;CNC(C)=CC(=N)NO;NEXHFMNTGVJVRH-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143684;MM143684;CNC(=N)C=C(N)NC;NTDZSHIEHFDLEJ-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143685;MM143685;CNC(N)=CC(=N)NN;WKIWMABCYCXTEF-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143686;MM143686;CNC(N)=CC(=N)NO;ALHLRFUMRCBROB-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143687;MM143687;C=NNC1=NC=C(OC)C1;HZPLMIRZFCNQKG-UHFFFAOYSA-N;139.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143688;MM143688;C#CC1CC1NC(C)=NO;ZLTBVTFWXVGJAH-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143689;MM143689;COC(N)=CC(=N)NN;ZXWFBMNIOGKBTG-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143690;MM143690;C=CCCCC=NNC=O;VWQBQQKHOJTGQV-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143691;MM143691;COC(C)=CC(=O)NO;OHSVEHBHLRNRSS-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143692;MM143692;NN=CCCC=NNC=O;GLDKRLHCZXJJDN-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143693;MM143693;COC(N)=CC(=O)NO;ISKWSGWKGXVBCQ-UHFFFAOYSA-N;132.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143694;MM143694;C=C(C=C(C)CC)OC;QGNFDCVGWSLFAA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143695;MM143695;C=C(C=C(C)CN)OC;AOYANMOJQGSYNO-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143696;MM143696;C=C(C=C(C)CO)OC;GHRJPKDSOLUVGX-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143697;MM143697;C=C(C=C(C)CF)OC;MXZBFZYESJPNFS-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143698;MM143698;C=C(C=C(F)CC)OC;YPOSSEIGGVMYGN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143699;MM143699;C=C(C=C(F)CO)OC;LNNSHIUUWLHREK-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143700;MM143700;C=C(C=C(F)CF)OC;CCLLCILDERTZTA-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143701;MM143701;CCC(C)=CC(=O)OC;SLQFYMAWZYTVFZ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143702;MM143702;COC(=O)C=C(C)CF;YPMWACFYPBTELU-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143703;MM143703;COC(=O)C=C(N)CO;KQMAOHJYHJWEHY-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143704;MM143704;CCC(F)=CC(=O)OC;RUCUAHKBCMSDGL-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143705;MM143705;COC(=O)C=C(F)CO;DIJKWTPAGDRMNH-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143706;MM143706;COC(=O)C=C(F)CF;WYIIBPHNCKUWAZ-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143707;MM143707;CNC(C)=CC(=O)OC;QAKYFFYZPIPLDN-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143708;MM143708;C=C(C=C(C)OC)OC;VAIWPHLMMRIUCX-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143709;MM143709;COC(=O)C=C(C)OC;RJSHZZLJYZOHRU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143710;MM143710;C=CC(C)=CC(=C)CC;WYDPWSSTTCGFIR-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143711;MM143711;C=C(C=C(C)C=O)CC;JLSGDVBCAFWPHO-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143712;MM143712;C=C(C=C(C)C#N)CC;WLGNKAMEVLRKBO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143713;MM143713;C=CC(C)=CC(=C)CN;KPMMBWUBIUBNTJ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143714;MM143714;C=CC(C)=CC(=C)CO;RMYWIDQNQDUJIZ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143715;MM143715;C=C(C=C(C)C#N)CO;WZTIIUHGGLYGDY-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143716;MM143716;C=CC(C)=CC(=C)CF;UGTSHJUISDGIKU-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143717;MM143717;C=C(C=C(C)C=O)CF;XMYLCJQZAFOGBL-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143718;MM143718;C=C(C=C(C)C#N)CF;LPIALPQOXZFMRU-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143719;MM143719;C=CC(F)=CC(=C)CC;IWOSRJHWMLUHCH-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143720;MM143720;C=C(C=C(F)C=O)CC;OMMXARRIECRFAW-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143721;MM143721;C=C(C=C(F)C#N)CC;HOIUTMIJZHBSDY-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143722;MM143722;C=CC(F)=CC(=C)CN;UTBGFRAOSRINBM-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143723;MM143723;C=CC(F)=CC(=C)CF;PEXOCVJWIZIOOH-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143724;MM143724;C=C(C=C(F)C=O)CF;AQUJSEHYDQRTCG-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143725;MM143725;C=C(C=C(F)C#N)CF;YNSXGBRSQIQPST-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143726;MM143726;C=CC(C)=CC(=O)CC;OWAIEEFZUPHSAG-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143727;MM143727;CCC(=O)C=C(C)C=O;SRVPSCZJUZZLCY-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143728;MM143728;CCC(=O)C=C(C)C#N;DDNOAKGKWWNMFV-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143729;MM143729;CC(C=O)=CC(=O)CO;XWGOIIWNKWUKEQ-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143730;MM143730;C=CC(C)=CC(=O)CF;OXEZMIFOMKMMPH-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143731;MM143731;C=CC(N)=CC(=O)CC;ZLHGCRGNXKAXQW-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143732;MM143732;C=CC(N)=CC(=O)CO;YDTAIEDLILTICC-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143733;MM143733;N#CC(N)=CC(=O)CO;GUTRTRYRAMJUOJ-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143734;MM143734;C=CC(F)=CC(=O)CC;FGTUWVGDOQPJPA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143735;MM143735;CCC(=O)C=C(F)C=O;NWWLYXBTJXKGJO-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143736;MM143736;CCC(=O)C=C(F)C#N;GTRUFPXIRVGMOD-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143737;MM143737;C=CC(F)=CC(=O)CF;RQFRMGWRLTZLKO-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143738;MM143738;N#CC(F)=CC(=O)CF;PWSUUGSAFBUNIA-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143739;MM143739;C=CC(C)=CC(=N)NC;TUZGTDDGDGQPPK-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143740;MM143740;C=CC(C)=CC(=N)NN;DLLZRZZUDRYGOZ-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143741;MM143741;C=CC(C)=CC(=N)NO;CRFWWVPJVHTTDE-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143742;MM143742;CC(C=O)=CC(=N)NO;NOQVJJAYAOUIKU-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143743;MM143743;CN=C(N)C=C(N)C=O;ZRQCOGLCLATKRS-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143744;MM143744;N=C(C=C(N)C=O)NO;RGLHZBCSYYIJEG-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143745;MM143745;CN=C(N)C=C(F)C=O;CUKNZFYIOVXGHW-UHFFFAOYSA-N;130.12;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143746;MM143746;NC(C=C(F)C=O)=NO;JMXBUMKIUKLONV-UHFFFAOYSA-N;132.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143747;MM143747;C=NNC(=O)C=CC;QDDLJXVEVMDAGC-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143748;MM143748;C=NNCC(O)C#N;OTLWYXSEZNRNON-UHFFFAOYSA-N;113.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143749;MM143749;C=CC(C)=CC(=O)NO;IQOUHOOEHNUTPV-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143750;MM143750;CC(C=O)=CC(=O)NO;ZKVPDOZTVMNVMG-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143751;MM143751;CNNC(=O)C(C)(C)O;DWNPRIAXENLJHU-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143752;MM143752;C=CC(N)=CC(=O)NO;KOUMUYBZTGXMLV-UHFFFAOYSA-N;128.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143753;MM143753;NC(C=O)=CC(=O)NO;SXRAUGYORYPHRE-UHFFFAOYSA-N;130.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143754;MM143754;CC1(F)CC1C(=O)NN;SAQBWQZCWYHORG-UHFFFAOYSA-N;132.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143755;MM143755;C=CC(C)=CC(=C)OC;ZHRXAANGMNBEPN-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143756;MM143756;C=C(C=C(C)C=O)OC;YXYWKGNCJOSEKF-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143757;MM143757;C=C(C=C(C)C#N)OC;PHBUQAVCLRPVGC-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143758;MM143758;C=CC(F)=CC(=C)OC;FHOFILVEECHFSU-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143759;MM143759;C=C(C=C(F)C=O)OC;PAVHQOHYSMIZHN-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143760;MM143760;C=C(C=C(F)C#N)OC;JTMCQAZTZGXHER-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143761;MM143761;C=CC(C)=CC(=O)OC;CUORDCBDLFAONL-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143762;MM143762;COC(=O)C=C(C)C#N;MKCRHZAATLTPAO-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143763;MM143763;C=CC(N)=CC(=O)OC;PWFMKYNQHAUXKB-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143764;MM143764;COC(=O)C=C(F)C#N;OSVOETYKTCQSNK-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143765;MM143765;C#CC(C)=CC(=C)CC;YNOPUGBULUBQBI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143766;MM143766;C#CC(C)=CC(=C)CN;LABOWZSNMINHLW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143767;MM143767;C#CC(C)=CC(=C)CF;LSEWUGOCXUUEAR-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143768;MM143768;C#CC(F)=CC(=C)CC;CYJQWDZUEOWEMN-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143769;MM143769;C#CC(F)=CC(=C)CN;PPYDBMIUJFVIAY-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143770;MM143770;C#CC(F)=CC(=C)CF;BDUSKHMWRCMNPM-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143771;MM143771;C#CC(C)=CC(=O)CC;KDVLUWNNDBENLK-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143772;MM143772;C#CC(C)=CC(=O)CF;LCXLUXJPRDRTHN-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143773;MM143773;C#CC(N)=CC(=O)CC;YGXKXTMWYYEHMH-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143774;MM143774;C#CC(N)=CC(=O)CO;KPSSZWJNMYWHEZ-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143775;MM143775;C#CC(F)=CC(=O)CC;DFXKGKWEZWITMA-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143776;MM143776;C#CC(C)=CC(=N)NN;JMQPLXNPXNRJDH-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143777;MM143777;C#CC(C)=CC(=N)NO;WUKXIECIHODIRA-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143778;MM143778;C#CC(N)=CC(=N)NN;AANYITLQVATPOI-UHFFFAOYSA-N;124.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143779;MM143779;NNC(=O)CC(=O)NN;PSIKPHJLTVSQFO-UHFFFAOYSA-N;132.12;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P5";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143780;MM143780;C#CC(C)=CC(=O)NO;XBVKZVSEKSMKCX-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143781;MM143781;Nc1cc(F)n(O)c1N;HJABAXMKJQHUQV-UHFFFAOYSA-N;131.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143782;MM143782;C#CC(N)=CC(=O)NO;OASZEPOPPTUMBY-UHFFFAOYSA-N;126.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143783;MM143783;C#CC(C)=CC(=C)OC;VNORIVCBAISPLO-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143784;MM143784;C#CC(F)=CC(=C)OC;AWDJNDMJNCPLSS-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143785;MM143785;C#CC(C)=CC(=O)OC;QHUVIINWHNMQDH-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143786;MM143786;C#CC(F)=CC(=O)OC;QGHZBPZPUAALLX-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143787;MM143787;C=CC(=C)C=C(C)CC;DQVDPCRZLKJFCV-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143788;MM143788;C=CC(=C)C=C(C)CN;RDZWIIWJAWAECN-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143789;MM143789;C=CC(=C)C=C(C)CO;CZDMHMWLRWIULN-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143790;MM143790;C=CC(=C)C=C(C)CF;JXVXJVGHEZUWTB-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143791;MM143791;C=C(C=O)C=C(C)CC;XASBYADBNPEVRP-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143792;MM143792;C=C(C#N)C=C(C)CC;XQNYNSKCBUHKDZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143793;MM143793;C=C(C#N)C=C(C)CO;AYHMWPVIWWOESY-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143794;MM143794;C=C(C#N)C=C(C)CF;ZRCWQQWRTXZQHP-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143795;MM143795;C=CC(=C)C=C(F)CC;ACPOKCCSAVGNEQ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143796;MM143796;C=C(C=O)C=C(F)CC;MCHVQJHEGQIMOI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143797;MM143797;C=C(C#N)C=C(F)CC;ZTOORNQBFSLRTK-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143798;MM143798;C=C(C=O)C=C(F)CF;MKMNZSQDBDWHOU-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143799;MM143799;C=C(C#N)C=C(F)CF;CRGPKIDMVWHMBN-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143800;MM143800;C=CC(=O)C=C(C)CC;ZRYUVABUZJYPBK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143801;MM143801;C=CC(=O)C=C(N)CC;ATVIWMKOEMJKNV-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143802;MM143802;C=CC(=O)C=C(N)CO;XTWMKYLPMXPNIL-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143803;MM143803;N#CC(=O)C=C(N)CO;LEHHDPIFMOVJSD-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143804;MM143804;C=CC(=O)C=C(F)CF;STUQKTSKSAPMNL-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143805;MM143805;CCC(F)=CC(=O)C=O;CBHQGSLHPFOEOY-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143806;MM143806;CCC(F)=CC(=O)C#N;LOTIFSQGRNZTSF-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143807;MM143807;N#CC(=O)C=C(F)CF;JXAOIYXPZRVGRH-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143808;MM143808;C=CC(=O)C=C(C)NC;MIJJWZQSCIDKFK-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143809;MM143809;C=CC(=O)C=C(N)NC;JCYXHLFJSOYWPZ-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143810;MM143810;C=CC(=C)C=C(C)OC;SHQGBNDHUXHIHM-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143811;MM143811;C=C(C=O)C=C(C)OC;CMFBQVXNWHYLFH-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143812;MM143812;C=C(C#N)C=C(C)OC;XMVGHWLUGAMKPP-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143813;MM143813;C=CC(=O)C=C(C)OC;KKDGVBHAACYDDM-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143814;MM143814;C=CC(=C)C=C(C)C=C;JUHKLHWNXVMEMN-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143815;MM143815;C=CC(=C)C=C(C)C=O;MSWMBWKRXIDYNK-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143816;MM143816;C=CC(=C)C=C(C)C#N;YSORCHZVDCEQMA-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143817;MM143817;C=CC(C)=CC(=C)C=O;JFFJHQSVLGZFET-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143818;MM143818;C=CC(C)=CC(=C)C#N;BVXXKLZBWFPTOX-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143819;MM143819;C=C(C=O)C=C(C)C=O;RVUJWMZSVXEPNU-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143820;MM143820;C=C(C=O)C=C(C)C#N;VIJPLVRJFRFFNA-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143821;MM143821;C=C(C#N)C=C(C)C=O;FJOUFEILZIENLF-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143822;MM143822;C=C(C#N)C=C(C)C#N;NDDRMUJUVJJWAE-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143823;MM143823;C=CC(=C)C=C(F)C=C;WZRJTIPMBVHQSA-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143824;MM143824;C=CC(=C)C=C(F)C=O;XBVXWSDMANJNHB-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143825;MM143825;C=CC(=C)C=C(F)C#N;HAIZFTPNZVXJJG-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143826;MM143826;C=CC(F)=CC(=C)C=O;AYEPTGGZVVWLKK-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143827;MM143827;C=CC(F)=CC(=C)C#N;FRFXFIBOFHBMHH-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143828;MM143828;C=C(C=O)C=C(F)C=O;ZGFPIAITGXKTBZ-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143829;MM143829;C=C(C=O)C=C(F)C#N;ZZWJCUOVEPZMRA-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143830;MM143830;C=C(C#N)C=C(F)C=O;BPVSNTCYHHCMPL-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143831;MM143831;C=C(C#N)C=C(F)C#N;ZKTALIXIZIBCIB-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143832;MM143832;C=CC(=O)C=C(C)C=C;SXQLFMSJAMLSNY-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143833;MM143833;C=CC(=O)C=C(C)C=O;PNZIEPZQTXFDNL-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143834;MM143834;C=CC(=O)C=C(C)C#N;POGVFUKWNUYVEC-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143835;MM143835;C=CC(=O)C=C(N)C=C;XERCUIUYKQMXPU-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143836;MM143836;C=CC(=O)C=C(N)C=O;WHERFTURMDECGD-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143837;MM143837;C=CC(N)=CC(=O)C#N;GWHXQYJIJMLYRI-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143838;MM143838;C=CC(=O)C=C(F)C=C;AFSXJRWZDKVKNS-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143839;MM143839;C=CC(=O)C=C(F)C=O;OKTQUBNEIBVQQG-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143840;MM143840;C=CC(F)=CC(=O)C#N;OAFKKTXIELZLHX-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143841;MM143841;O=CC(=O)C=C(F)C=O;KFSALLGTNYBWOY-UHFFFAOYSA-N;130.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143842;MM143842;N#CC(=O)C=C(F)C#N;AXDNIXKRBILYQQ-UHFFFAOYSA-N;124.07;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143843;MM143843;C#CC(C)=CC(=C)C=C;CGBPCQXJLSFLHQ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143844;MM143844;C#CC(C)=CC(=C)C=O;WEGKVAITMNQITI-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143845;MM143845;C#CC(C)=CC(=C)C#N;NKZUTJLJACRGLK-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143846;MM143846;C#CC(F)=CC(=C)C=C;RXYVKKAQBZYPBP-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143847;MM143847;C#CC(F)=CC(=C)C=O;SIQZTHZSLSKKFJ-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143848;MM143848;C#CC(F)=CC(=C)C#N;LWDJYCGDFBHPTN-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143849;MM143849;C#CC(C)=CC(=O)C=C;AOJFRTYDQUMSEF-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143850;MM143850;C#CC(C)=CC(=O)C#N;RYKSNHSGSRAOCU-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143851;MM143851;C#CC(F)=CC(=O)C=C;QTUZVKHITGHGJD-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143852;MM143852;C#CC(F)=CC(=O)C#N;ICSHGXPTILZRBG-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143853;MM143853;C#CC(=C)C=C(C)CC;KCMIZOQWCVYSGT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143854;MM143854;C#CC(=C)C=C(C)CN;REHPDLMDDDFNSD-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143855;MM143855;C#CC(=C)C=C(C)CO;IQKIVGRBHRHEPG-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143856;MM143856;C#CC(=C)C=C(C)CF;AMFMRJAEFAYDHW-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143857;MM143857;C#CC(=C)C=C(F)CC;BPHBOWFTABLEGG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143858;MM143858;C#CC(=O)C=C(C)CC;JGNZRXLQZDIEIF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143859;MM143859;C#CC(=O)C=C(N)CO;HJGZBFBHSNLVGI-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143860;MM143860;C#CC(=O)C=C(F)CC;UKILBTNCWIJWIG-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143861;MM143861;C#CC(=O)C=C(F)CF;OBLXJRNOTBKACR-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143862;MM143862;C#CC(=O)C=C(C)NC;GWJRYMDLAHTKRD-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143863;MM143863;C#CC(=C)C=C(C)OC;QEMAYGVKIUYZEO-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143864;MM143864;C#CC(=O)C=C(C)OC;VBSIMBPZRHAFCI-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143865;MM143865;C#CC(=C)C=C(C)C=C;WUEVQYYNRWNZGI-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143866;MM143866;C#CC(=C)C=C(C)C=O;KIFKSXFIQQVRKN-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143867;MM143867;C#CC(=C)C=C(C)C#N;TYMAPZQHFAWHFW-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143868;MM143868;C#CC(=C)C=C(F)C=C;JTDODFWBKSFQLD-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143869;MM143869;C#CC(=C)C=C(F)C=O;VBAYELPZASMOAK-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143870;MM143870;C#CC(=C)C=C(F)C#N;MNQIBQZFPNGIFS-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143871;MM143871;C#CC(=O)C=C(C)C=C;CLXGCRBTYIXPGW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143872;MM143872;C#CC(=O)C=C(F)C=C;HIXDVIBYLWIUDQ-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143873;MM143873;C#CC(=O)C=C(F)C#N;WDOGDHJYFNKGOY-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143874;MM143874;C#CC(=C)C=C(C)C#C;QLBRCAPXRONIRF-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143875;MM143875;C#CC(=C)C=C(F)C#C;NCCDQJNIUVDKJE-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143876;MM143876;C#CC(=O)C=C(C)C#C;ZLQUHJHTZMWWQZ-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143877;MM143877;C#CC(=O)C=C(F)C#C;GKOVMAHNLOOISF-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143878;MM143878;CC=C(C)C=C(C)CC;UCZAREQHYMBQOS-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143879;MM143879;CC=C(C)C=C(C)CN;YMBRNUWANHDTHC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143880;MM143880;CC=C(C)C=C(C)CO;YZDKYYZSTTWZDN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143881;MM143881;CC=C(C)C=C(C)CF;BIOPTEMQEGZFCN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143882;MM143882;CCC(C)=CC(C)=CF;NBQMHMKHBUYVCR-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143883;MM143883;CC(=CF)C=C(C)CN;JFXKHCULIXWJDJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143884;MM143884;CC(=CF)C=C(C)CF;ZDAXHGBAWDAWPW-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143885;MM143885;CC=C(C)C=C(F)CC;HNCOQTRLKLKRFI-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143886;MM143886;CC=C(C)C=C(F)CO;ZDVCLOXHBXXUSV-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143887;MM143887;CCC(F)=CC(C)=CF;NYAKJOZZEHPWMU-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143888;MM143888;CC(=CF)C=C(F)CF;RYAWMVNINZLDBN-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143889;MM143889;CC=C(F)C=C(C)CC;SNUYZZWBIDWEDO-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143890;MM143890;CC=C(F)C=C(C)CN;VRGICSMGXHGSEP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143891;MM143891;CC=C(F)C=C(C)CO;BKEHMYCMWKBWIZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143892;MM143892;CC=C(F)C=C(C)CF;DSGHVEQTODURCR-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143893;MM143893;CCC(C)=CC(F)=CF;IJUJOWIRRNJYJB-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143894;MM143894;CC(=CC(F)=CF)CO;VSASPEIPDREINW-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143895;MM143895;CC(=CC(F)=CF)CF;HHQYSCNMBUHXMB-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143896;MM143896;CC=C(F)C=C(F)CC;UVTJGLSUPAHUTC-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143897;MM143897;CC=C(F)C=C(F)CO;KBMTVLQPMONOHR-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143898;MM143898;CC=C(F)C=C(F)CF;FISHITKQSQCGOQ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143899;MM143899;CCC(F)=CC(F)=CF;RDRZVXMLGRCKHV-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143900;MM143900;CC=C(C)C=C(C)OC;SAZMSGIUYCOPNJ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143901;MM143901;COC(C)=CC(C)=CF;RFCDPPUXTGRFAC-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143902;MM143902;CC=C(F)C=C(C)OC;RJMQZZUSZUOBOA-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143903;MM143903;COC(C)=CC(F)=CF;FJZDYDHWHVBBIE-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143904;MM143904;CCC(C)=CC(C)=NN;JGQSGGLJICIQAR-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143905;MM143905;CCNC1=NC(=N)CO1;HXHZZBUGEZTDLM-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143906;MM143906;C=Cn1cnc(N)c1O;CMZLSODRURXOEO-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143907;MM143907;CC(=CC(C)=NO)CN;UWPBFPHEDXCLNT-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143908;MM143908;CC(=CC(C)=NO)CF;CVRAFJFPWIBANU-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143909;MM143909;C#CCNC(=NO)NO;CAHFDUDYBBHGIF-UHFFFAOYSA-N;129.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143910;MM143910;CCC(F)=CC(C)=NN;ONWGUKGLEDGMER-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143911;MM143911;CC(C=C(F)CF)=NN;HANFBUHMQITVHC-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143912;MM143912;CCC(F)=CC(C)=NO;LVDUHGZJUXBCMJ-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143913;MM143913;CN=C(C)C=C(C)NO;PBWBPXHQJQQXSK-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143914;MM143914;COC(C)=CC(C)=NN;JHQKXRJLWHSREJ-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143915;MM143915;COC(C)=CC(C)=NO;XWYGCDLIKCEIGI-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143916;MM143916;CCC(=N)NC(N)=NC;QAFNFCVJYUTCSG-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143917;MM143917;CCC(=N)NC(N)=NN;NGNZHQOKAQCUDM-UHFFFAOYSA-N;129.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143918;MM143918;CCC(=N)NC(N)=NO;QPCQDSKXDYOYKI-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143919;MM143919;N=C(CN)NC(N)=NO;KDBQAODQAJPBGK-UHFFFAOYSA-N;131.14;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143920;MM143920;CN=C(N)NC(=N)NC;AKWJBSDLSFROSK-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143921;MM143921;CNC(=N)NC(N)=NN;TULDQUNEYATRHJ-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143922;MM143922;CN=C(N)NC(=N)OC;JLVCEJRSXXDJLS-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143923;MM143923;COC(=N)NC(N)=NN;CSLZWWNRKLPBCG-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143924;MM143924;C=CC(C)=CC(C)=CC;ZGYCPKAJUNIUSD-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143925;MM143925;CC=C(C)C=C(C)C=O;JLRXGFYYIORWGF-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143926;MM143926;CC=C(C)C=C(C)C#N;BFTJEHPOZWIQCG-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143927;MM143927;C=CC(C)=CC(C)=CF;QMVTWLUQSBKSKB-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143928;MM143928;CC(C#N)=CC(C)=CF;VWSBHTRSFMRQMV-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143929;MM143929;C=CC(F)=CC(C)=CC;GFOPMBQQFVDHCQ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143930;MM143930;CC=C(C)C=C(F)C=O;UNYWLQSONHHWEJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143931;MM143931;CC=C(C)C=C(F)C#N;XGYXDIQCXZVAOA-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143932;MM143932;C=CC(F)=CC(C)=CF;USSBNFVHDDXZLA-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143933;MM143933;CC(=CF)C=C(F)C=O;KACURMUVNDJPBN-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143934;MM143934;C=CC(C)=CC(F)=CC;DNHNHLFSFYGLEK-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143935;MM143935;CC=C(F)C=C(C)C=O;ZCEMJYYLCWDIAI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143936;MM143936;CC=C(F)C=C(C)C#N;XJFJLHXDEMJRAF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143937;MM143937;C=CC(C)=CC(F)=CF;BKWJSBLIRZXWBB-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143938;MM143938;CC(C=O)=CC(F)=CF;RISXYQAKKNGQHB-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143939;MM143939;CC(C#N)=CC(F)=CF;SDZDTWYAQKVLPQ-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143940;MM143940;C=CC(F)=CC(F)=CC;RVYXZENRPVZZMV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143941;MM143941;CC=C(F)C=C(F)C=O;DXBWEOFNRJWWPC-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143942;MM143942;CC=C(F)C=C(F)C#N;XYWWYDJJWHHZOF-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143943;MM143943;C=CC(F)=CC(F)=CF;JDAIUNPNODFWMJ-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143944;MM143944;N#CC(F)=CC(F)=CF;YTFOVJGOKZEYPG-UHFFFAOYSA-N;133.07;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143945;MM143945;C=CC(C)=CC(C)=NN;XTKAGQSSLBNSJX-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143946;MM143946;CN=C1COC(NC)=N1;VBQOBWILCNLFAX-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143947;MM143947;CC(C=O)=CC(C)=NO;QFMBSPGQOHBQHH-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143948;MM143948;CC(C#N)=CC(C)=NO;JILDWNNJXPEUTR-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143949;MM143949;CC(O)(CF)C(=O)C(=N)N;ZMNMKQLFZBWBNT-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143950;MM143950;CC(C=C(N)C#N)=NO;PNBKUHSSOOKMAK-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143951;MM143951;C=CC(F)=CC(C)=NN;UDZPBWJSUKLJFB-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143952;MM143952;C=CC(F)=CC(C)=NO;UNZDXLYWWKZPIR-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143953;MM143953;CC(C=C(F)C=O)=NO;LKMCPSKENYSMOQ-UHFFFAOYSA-N;131.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143954;MM143954;C=NNC(=O)C=CC(C)C;KMMZRLGHROUCIB-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143955;MM143955;C#CC(C)=CC(C)=CC;SPRDWMFHVDJZQU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143956;MM143956;C#CC(C)=CC(C)=CF;LQSKNENMGBSRFD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143957;MM143957;C#CC(F)=CC(C)=CC;OKLDNUIVSDFEGO-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143958;MM143958;C#CC(F)=CC(C)=CF;NSARNQNOJAOHNS-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143959;MM143959;C#CC(C)=CC(F)=CC;GZHBGFLJYLFDRK-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143960;MM143960;C#CC(C)=CC(F)=CF;RFYBFMBHSXGXPL-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143961;MM143961;C#CC(F)=CC(F)=CC;CFJZGPUHUOAZPU-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143962;MM143962;C#CC(F)=CC(F)=CF;LSNAGPXJKHNWDN-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143963;MM143963;C#CC(C)=CC(C)=NO;GPMHHHIWZXVTMB-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143964;MM143964;C#CC(F)=CC(C)=NO;WOOIHRRZXXRIPN-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143965;MM143965;CCC(C)CCC(C)C;HQZHQNKZOYIKQC-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143966;MM143966;CC(C)CCC(C)CN;FQNYYKKXSZVCJY-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143967;MM143967;C=CC=C(C)NC(C)=NO;KMRINIKMAPESIF-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143968;MM143968;CC(C)CCC(C)CF;UBTVZQGJEVXZRO-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143969;MM143969;CCC(C)CCC(C)N;IGELDTXGMACMRK-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143970;MM143970;CC(N)CCC(C)CO;DFFJFMBKGILHPQ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143971;MM143971;CC(N)CCC(C)CF;CHDUSADGDFFMRG-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143972;MM143972;CC(F)CC(O)C(=O)NN;HWJHFSCPOCTOMP-UHFFFAOYSA-N;150.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143973;MM143973;CC(O)CCC(C)CN;FDWATPHWKUZBOU-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143974;MM143974;C=NNC(=O)C=CCCC;FYGYSLHDPYUZRB-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143975;MM143975;C=CCC=CC(=O)NN=C;PQDOANHSOLUDDX-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143976;MM143976;CCC(C)CCC(C)F;QBRARFHBKOQNRR-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143977;MM143977;CC(F)CCC(C)CN;IOIGWHJVRUAHCR-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143978;MM143978;C=NN=C(C)C(=O)NNC;HFQLFYPNAMXUHC-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143979;MM143979;CC(F)CCC(C)CF;WNPBOATYSQRXBE-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143980;MM143980;CCC(C)CCC(F)F;DLIHZWNUVSHWPT-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143981;MM143981;CC(CN)CCC(F)F;FIWCYUFBXSIVPG-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143982;MM143982;C=C(F)C(O)C(=NN)NN;YCMFRZDQHVVUNK-UHFFFAOYSA-N;148.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143983;MM143983;CC(CF)CCC(F)F;XMQAYLNXYJPGRM-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143984;MM143984;CCC(N)CCC(C)C;VYNGSWRPKZBLTN-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143985;MM143985;CC(C)CCC(N)CN;PBXCVLMAGNCNSP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143986;MM143986;CC(C)CCC(N)CO;JTQATQDZVQUMNK-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143987;MM143987;CC(C)CCC(N)CF;YZPXTBGVFWQUBJ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143988;MM143988;CCC(N)CCC(C)N;LTOJGMMTVVFVAW-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143989;MM143989;CC(N)CCC(N)CN;WRURSUNQZBXBDS-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143990;MM143990;CC(N)CCC(N)CO;ZVTIHSYFTUVWIN-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143991;MM143991;CC(N)CCC(N)CF;YSUINMDKTTYCFN-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143992;MM143992;CCC(N)CCC(C)O;OEJHVJHFXIFVTH-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143993;MM143993;CC(O)CCC(N)CN;JJNFKPLMLHNDBA-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143994;MM143994;CC(O)CCC(N)CF;VAOOFFLIFSPBPN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143995;MM143995;CCC(N)CCC(C)F;QYDPNVZCJGVWPY-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143996;MM143996;CC(F)CCC(N)CN;KUYAPLNLBPJOTE-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143997;MM143997;CC(F)CCC(N)CF;TUMDVMVTUDURJL-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143998;MM143998;CCC(N)CCC(F)F;YTPSXNVKFXFCLG-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM143999;MM143999;NCC(N)CCC(F)F;VNKGPGOGHKQYHX-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144000;MM144000;NC(CF)CCC(F)F;HZKGXRNWJBMLGP-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144001;MM144001;CC(F)C(O)C#CC=NN;FRYYIIZSRBPZDP-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144002;MM144002;CC(C)CCC(O)CN;UZDXZVZSTOKYDS-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144003;MM144003;CC(C)CCC(O)CO;PTXXRZSKRORMHV-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144004;MM144004;CCC(O)CCC(C)N;ASCBRGOQJAWXIV-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144005;MM144005;CC(N)CCC(O)CN;CSNCAJGAKOFLJC-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144006;MM144006;CC(N)CCC(O)CF;LWQUJOLEPLEGJX-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144007;MM144007;CCC(O)CCC(C)O;XTVHTJKQKUOEQA-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144008;MM144008;CC(O)CCC(O)CO;UFAPLAOEQMMKJA-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144009;MM144009;CCC(O)CCC(C)F;HZCBTINKDTXYPV-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144010;MM144010;CC(F)CCC(O)CF;AJWRHNLDGJYEKG-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144011;MM144011;CCC(O)CCC(F)F;NEMYQTFEWSWXHC-UHFFFAOYSA-N;138.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144012;MM144012;OCC(O)CCC(F)F;QXZVVBJVOQLFBH-UHFFFAOYSA-N;140.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144013;MM144013;OC(CF)CCC(F)F;QXAZBRSTDUYRTJ-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144014;MM144014;CCC(F)CCC(C)C;ZPTQYVOTCURGGQ-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144015;MM144015;CC(C)CCC(F)CN;HRKDLDKUFGBOOS-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144016;MM144016;CC(C)CCC(F)CO;IZMAVOMSWXQOEU-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144017;MM144017;CCC(F)CCC(C)N;PCRIAPSPZQKDAD-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144018;MM144018;CC(N)CCC(F)CN;NQMJYTAAJNQITJ-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144019;MM144019;CC(N)CCC(F)CO;CISIMPSHPGHJKI-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144020;MM144020;CCC(F)CCC(C)O;SVGUUAAYPOBSNK-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144021;MM144021;CC(O)CCC(F)CN;QGGBJEJGDHMQMK-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144022;MM144022;CC(O)CCC(F)CF;YEXOSNRAEDBLFW-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144023;MM144023;CCC(F)CCC(C)F;VRDROCWKTFTJBL-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144024;MM144024;CC(F)CCC(F)CN;JKYXXTNTDYVYPI-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144025;MM144025;CC(F)CCC(F)CO;CVGDIPLRFJJLPH-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144026;MM144026;CC(F)CCC(F)CF;DKFFRHBWORBLNH-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144027;MM144027;CCC(F)CCC(F)F;GEJDDTSWMCGMEJ-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144028;MM144028;NCC(F)CCC(F)F;JUEDYENGNJRXIG-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144029;MM144029;OCC(F)CCC(F)F;ICOKTDCJTFLAJV-UHFFFAOYSA-N;142.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144030;MM144030;FCC(F)CCC(F)F;TWVGJZVNKZEXGK-UHFFFAOYSA-N;144.11;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144031;MM144031;CNC(C)CCC(C)C;VFQPKDNSCZTUMI-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144032;MM144032;CNC(C)CCC(C)N;SWZHQYSNBDLINB-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144033;MM144033;CNC(C)CCC(C)O;PFXHJCSSQYOETM-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144034;MM144034;CNC(C)CCC(C)F;XQHSUSPPEJJGLD-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144035;MM144035;CNC(C)CCC(F)F;XDGVJQXMGRISOI-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144036;MM144036;COC(C)CCC(C)C;GCHRSZFBSDSZGV-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144037;MM144037;COC(C)CCC(C)N;GVIUTBOIQZAHOR-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144038;MM144038;COC(C)CCC(C)O;PFPKJPNLWZMSQY-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144039;MM144039;COC(C)CCC(C)F;DWBQOGHCSBTMLM-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144040;MM144040;CCC(C)CNC(C)C;IYMBPZJGRKTPEP-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144041;MM144041;CC(CN)CNC(C)C;NTPWIBFBQQEEPX-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144042;MM144042;CC(CO)CNC(C)C;FGIDRAREDSCWHY-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144043;MM144043;CC(CF)CNC(C)C;XTQSTTKKOCOSTF-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144044;MM144044;CCC(N)CNC(C)C;LAPJOPGBISWWRP-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144045;MM144045;CC(C)NCC(N)CN;VXUTZIYHRAXYRC-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144046;MM144046;CC(C)NCC(N)CO;XXJMBAHRZQKRTL-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144047;MM144047;CC(C)NCC(N)CF;SBSYSYMCHVJVAL-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144048;MM144048;CCC(O)CNC(C)C;VSYGKZKULIGNSA-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144049;MM144049;CC(C)NCC(O)CN;YNIKRGJRGCMOSG-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144050;MM144050;CC(C)NCC(O)CO;YKBZGEJJKPNRSI-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144051;MM144051;CCC(F)CNC(C)C;TZLJYZMELDKIMD-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144052;MM144052;CC(C)NCC(F)CN;HIPWHFKYDXLQNY-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144053;MM144053;CC(C)NCC(F)CF;LITUOEPQVYICDQ-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144054;MM144054;COC(C)CNC(C)C;QGJWIEAVYWXIQC-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144055;MM144055;CCC(C)COC(C)C;XUAUVCIUSULLJE-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144056;MM144056;CC(CN)COC(C)C;GQSJLBXDLCVHBR-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144057;MM144057;CC(CO)COC(C)C;FISVCANEQCZAML-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144058;MM144058;CC(CF)COC(C)C;OOCNWCHKZPJBMV-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144059;MM144059;CCC(N)COC(C)C;IZLXBZQXKPBUID-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144060;MM144060;CC(C)OCC(N)CN;KTTDFXDMDKUEKR-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144061;MM144061;CCC(O)COC(C)C;LHVVHKMPOOYTEZ-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144062;MM144062;CCC(F)COC(C)C;ZIHOWUKBNQUBHU-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144063;MM144063;CC(C)OCC(F)CF;RYKPAEBXAXDWTE-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144064;MM144064;CNC(C)COC(C)C;CCLBZJXLEMFHMJ-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144065;MM144065;CCC(C)NCC(C)C;DVFVBAPHBZWJFX-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144066;MM144066;CC(C)CNC(C)CN;VLMRJJXAISWQFH-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144067;MM144067;CC(C)CNC(C)CO;DQOYHQGASIIAJQ-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144068;MM144068;CC(C)CNC(C)CF;IRGZSGFCRBWINC-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144069;MM144069;CCC(C)NCC(C)N;PFSDAHRTEXBUPK-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144070;MM144070;CC(N)CNC(C)CN;ZWSGQNNHVMWSFL-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144071;MM144071;CC(N)CNC(C)CO;DYIQNMLXYOJTCV-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144072;MM144072;CCC(C)NCC(C)O;XTYWGSDRLPZAQF-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144073;MM144073;CC(O)CNC(C)CN;FPHKYQIDIXQGFS-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144074;MM144074;CC(O)CNC(C)CO;KNMBQWZVFYSZCC-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144075;MM144075;CCC(C)NCC(C)F;HZVXRBYSEFUJPS-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144076;MM144076;CC(F)CNC(C)CN;NYUBBEMSCIRZGP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144077;MM144077;CC(CN)NCC(F)F;QXSDJTBLPQRTNC-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144078;MM144078;CC(CF)NCC(F)F;NWTGNTJPPNTLFK-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144079;MM144079;CCC(C)OCC(C)C;QZMIAUUXMOAEPN-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144080;MM144080;CC(C)COC(C)CN;QNYQILPJUQXQNY-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144081;MM144081;CC(C)COC(C)CO;SFWUPQKPNMJTGN-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144082;MM144082;CCC(C)OCC(C)O;KJOVIRMWPFJSTR-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144083;MM144083;CC(O)COC(C)CO;DUFKCOQISQKSAV-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144084;MM144084;COC(C)OCC(C)C;BOYLJGANEPYIGI-UHFFFAOYSA-N;132.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144085;MM144085;COC(C)OCC(C)N;SDNXKVZQVNCXRS-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144086;MM144086;COC(C)OCC(C)F;VRNFPRZKBKNERN-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144087;MM144087;CCC(C)CCN(C)C;FZGSAGJJUFQDML-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144088;MM144088;CC(CO)CCN(C)C;UCKUXTGGEDCQEH-UHFFFAOYSA-N;131.22;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144089;MM144089;CC(CF)CCN(C)C;NJQBRNPDBJRWTM-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144090;MM144090;CCC(N)CCN(C)C;HUAYIEGFGBGCPQ-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144091;MM144091;CN(C)CCC(N)CN;GQAPYZPSIMIRRK-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144092;MM144092;CN(C)CCC(N)CO;LXHODDCRRWSDQF-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144093;MM144093;CN(C)CCC(N)CF;KRBIIYKWBXONKR-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144094;MM144094;CCC(O)CCN(C)C;UCRRAKUBCJKPHT-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144095;MM144095;CN(C)CCC(O)CN;NCAMKNHFTNEPNX-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144096;MM144096;CN(C)CCC(O)CO;ZAJHMOZTXOGSJO-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144097;MM144097;CN(C)CCC(O)CF;DXQMSDSHVWHNRJ-UHFFFAOYSA-N;135.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144098;MM144098;CCC(F)CCN(C)C;INVLHKDXTDKQKE-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144099;MM144099;CN(C)CCC(F)CN;LMSIPSMASJXMKB-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144100;MM144100;CN(C)CCC(F)CO;MGNUWNFIOORGMV-UHFFFAOYSA-N;135.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144101;MM144101;CN(C)CCC(F)CF;AAZSVKWOPULHJT-UHFFFAOYSA-N;137.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144102;MM144102;CNC(C)CCN(C)C;MRLYNABCKVRNFY-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144103;MM144103;CCN(C)CCC(C)C;KTJILDWKDVCFOT-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144104;MM144104;CCN(C)CCC(C)O;VWDUHJRFENZTPN-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144105;MM144105;CCN(C)CCC(C)F;PNBRGAVZQKICKU-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144106;MM144106;CCN(C)CCC(F)F;QYZJGMGAWVYVLC-UHFFFAOYSA-N;137.17;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144107;MM144107;C=CC(C)CCC(C)C;GNOHGCMWAHDGAT-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144108;MM144108;CC(C)CCC(C)C=O;BTRMPEQZYGQFHA-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144109;MM144109;CC(C)CCC(C)C#N;BGNGUPQFAFEWPH-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144110;MM144110;C=CC(C)CCC(C)N;YYYSTQRIBUPAET-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144111;MM144111;CNNC(=O)N(N)C(C)=N;OGZQFQIBLYBXBC-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144112;MM144112;C=C(CC)N(C)C(C)=NO;ZLSGVMHLEJTJTL-UHFFFAOYSA-N;142.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144113;MM144113;C=CC(C)CCC(C)F;VOSSRDHDSZSUSK-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144114;MM144114;CC(F)CCC(C)C=O;GHXIDUPDEDEAMU-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144115;MM144115;CC(F)CCC(C)C#N;XBNQAZGPCBFCLN-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144116;MM144116;C=CC(C)CCC(F)F;DZYOYXHSGPEVLP-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144117;MM144117;CC(C=O)CCC(F)F;PWBMSEUOWLGFQR-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144118;MM144118;CC(C#N)CCC(F)F;JQOFVHVVNAYWHS-UHFFFAOYSA-N;133.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144119;MM144119;C=CC(N)CCC(C)C;ZQTKWAKFUQOUHH-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144120;MM144120;C=CC(N)CCC(C)F;UVUDIBLTDAKDMW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144121;MM144121;C=NNCC(O)C(=O)NN;FGEJQQWTAPGSKX-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144122;MM144122;CC(C)CCC(O)C#N;RLJFCZFXMRYYFH-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144123;MM144123;CC(O)CCC(O)C=O;GFGVLADMSXHMEK-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144124;MM144124;C=CC(O)CCC(C)F;GNMCKDKFRVSWCI-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144125;MM144125;C=CC(F)CCC(C)C;MPRUIPAZFRPDPG-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144126;MM144126;CC(C)CCC(F)C#N;MOHAZTAIBANHCG-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144127;MM144127;C=CC(F)CCC(C)N;FPAVBPRSFSIBNE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144128;MM144128;C=CC(F)CCC(C)O;ZXWFSGLSYANLGZ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144129;MM144129;CC(O)CCC(F)C=O;WCSKNBXMQMHQHJ-UHFFFAOYSA-N;134.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144130;MM144130;C=CC(F)CCC(C)F;YCGWUTBSEBBMPI-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144131;MM144131;CC(F)CCC(F)C=O;XSPZNSLGHIJKRF-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144132;MM144132;CC(F)CCC(F)C#N;WERJLGUMABTEEJ-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144133;MM144133;C=CC(F)CCC(F)F;URGAYAHEDBVCKZ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144134;MM144134;O=CC(F)CCC(F)F;KJAGGKJZTHXDDH-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144135;MM144135;N#CC(F)CCC(F)F;HZSUNJKMVXLUPH-UHFFFAOYSA-N;137.1;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144136;MM144136;C=CC(C)CNC(C)C;PSLNXAKSTXFITQ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144137;MM144137;CC(C=O)CNC(C)C;CUXMDNLLCVJQLY-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144138;MM144138;C=CC(F)CNC(C)C;WNVKKUFGVCCLMC-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144139;MM144139;C=CC(C)COC(C)C;QTISYONDOYGNMM-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144140;MM144140;CC(C=O)COC(C)C;ZZTCTWKNEWHEGW-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144141;MM144141;CC(C#N)COC(C)C;XQKSXHAHCPLSIV-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144142;MM144142;C=CC(O)COC(C)C;MVVWLERZQFBLFC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144143;MM144143;CC(C)OCC(O)C=O;YDLYGICUYLBWTG-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144144;MM144144;C=CC(F)COC(C)C;CVKJQXWJXOSLLG-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144145;MM144145;C=CC(C)NCC(C)C;GYQHYBCGPRCLBT-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144146;MM144146;COCCNNC(=O)CO;GPHVOTPZIJNKLH-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144147;MM144147;C=CC(C)NCC(C)F;JQCFUKJRCTYDMZ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144148;MM144148;CC(C#N)NCC(F)F;AYMCIXWHTYGBNK-UHFFFAOYSA-N;134.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144149;MM144149;C=CC(C)OCC(C)C;JJPNRCFIBJTERT-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144150;MM144150;CC(C)COC(C)C#N;SDERYZBGVBYDCX-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144151;MM144151;C=CC(C)OCC(C)O;OETBPYDTZPIYRX-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144152;MM144152;CC(O)COC(C)C=O;NIQPTNIIRUVTTI-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144153;MM144153;C=CC(C)OCC(C)F;HZLFILBBBYQZPF-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144154;MM144154;C=CC(C)OCC(F)F;TVENTHDARURLDT-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144155;MM144155;CC(C=O)OCC(F)F;QWXMZSWOZRBCCV-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144156;MM144156;C=CC(C)CCN(C)C;SXGHNASSDUTDPS-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144157;MM144157;CC(C=O)CCN(C)C;JWYSSHFLWNROJB-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144158;MM144158;C=CC(F)CCN(C)C;IVXUJDNQTVUMEW-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144159;MM144159;CC(C)CCN(C)C=N;PSBJETJFPKZJAI-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144160;MM144160;CC(C)CCN(C)C=O;HFPVMUFTRPSLEY-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144161;MM144161;CC(N)CCN(C)C=N;IECKXNDXOKQCDN-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144162;MM144162;CC(O)CCN(C)C=N;IQYKRGJOFZEWCV-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144163;MM144163;CC(F)CCN(C)C=N;KZEUZKGZHTTYMB-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144164;MM144164;CN(C=O)CCC(F)F;ISGAIHRZBMHKIX-UHFFFAOYSA-N;137.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144165;MM144165;CC(C)CCN(N)C=N;BDDDNWZLPNCMKI-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144166;MM144166;CC(C)CCN(N)C=O;LFURAGOVVBPKED-UHFFFAOYSA-N;130.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144167;MM144167;CC(O)CCN(N)C=N;VQRDXKXZYDZBPF-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144168;MM144168;NNC(=O)CC=NOC=O;VRDZEYFOSUZHHY-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144169;MM144169;CC(N)CCN(O)C=O;XFWDAEKTVAOROC-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144170;MM144170;CC(O)CCN(O)C=O;DNFQXZUDUFLDNJ-UHFFFAOYSA-N;133.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144171;MM144171;N=CN(O)CCC(F)F;KMDLBDRXOWBHCX-UHFFFAOYSA-N;138.12;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144172;MM144172;O=CN(O)CCC(F)F;GQYYMVAJQJTHEZ-UHFFFAOYSA-N;139.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144173;MM144173;C=NN(C)CCC(C)C;BPUAGRRZSGNVLU-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144174;MM144174;C=NN(C)CCC(C)F;NHRNGSRPEXWSNM-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144175;MM144175;C=NN(C)CCC(F)F;GTRCWIQFJAAPCJ-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144176;MM144176;CC(N)CNN(C)C=N;WYIFIHXYYPCVGR-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144177;MM144177;CC(N)CNN(C)C=O;HLIOHDUUGYWGPO-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144178;MM144178;CC(O)CNN(C)C=N;GZWIAINHFKOMFU-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144179;MM144179;C=NOCC1CC1(O)C#N;GTCFVXKNFUJNSI-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144180;MM144180;CC(F)CNN(C)C=O;TVMLNDOVCWOJBM-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144181;MM144181;CC(C)CON(C)C=O;AGSHVIIXKUBEOR-UHFFFAOYSA-N;131.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144182;MM144182;CC(N)CON(C)C=N;YSIGLZXZSQJQEP-UHFFFAOYSA-N;131.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144183;MM144183;CC(N)CON(C)C=O;KRVYTPRLTGHLST-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144184;MM144184;CC(O)CON(C)C=N;DEDIOQGGYZILOQ-UHFFFAOYSA-N;132.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144185;MM144185;CC(O)CON(C)C=O;UASOZLCXLFEMHB-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144186;MM144186;CC(F)CON(C)C=O;PGIHRDAMURLTRG-UHFFFAOYSA-N;135.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144187;MM144187;CN(C=N)OCC(F)F;NMUISNUXBCYBHA-UHFFFAOYSA-N;138.12;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144188;MM144188;CN(C)CCN(C)C=N;RRMLPRSKPSRPAE-UHFFFAOYSA-N;129.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144189;MM144189;CN(C)CCN(N)C=N;FVVBHHXIBDFNTJ-UHFFFAOYSA-N;130.2;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144190;MM144190;CN(C)CCN(O)C=N;JCYQEUJQARWSFT-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144191;MM144191;C#CC(C)CCC(C)C;LYUUHXABFZAHKB-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144192;MM144192;C#CC(C)CCC(C)N;WAYVROVSZYKYEV-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144193;MM144193;C#CC(C#CC)C(=O)NN;GSPZFARWORDEQC-UHFFFAOYSA-N;136.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144194;MM144194;C#CC(C)CCC(C)F;RTERSPJLAVJOLF-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144195;MM144195;C#CC(N)CCC(C)C;KHWVEHOFCCIQBJ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144196;MM144196;C#CC(N)CCC(C)F;FQAYIGAESLXENR-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144197;MM144197;C#CC(N)CCC(F)F;ZYDRAVIWSXWUJP-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144198;MM144198;C#CC(O)CCC(C)C;LPQDXVNLIUZKKH-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144199;MM144199;C#CC(O)CCC(C)N;KXWXTDSUWKMWED-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144200;MM144200;C#CC(O)CCC(C)O;VCMXRHIRVRAREQ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144201;MM144201;C#CC(O)CCC(C)F;PJHSPRKFQABBIT-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144202;MM144202;C#CC(O)CCC(F)F;VXEXDXYNUKBNIH-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144203;MM144203;C#CC(F)CCC(C)C;JXQVXZDHEOOLHC-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144204;MM144204;C#CC(F)CCC(C)F;MPBHSBTVZAHLRU-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144205;MM144205;C#CC(C)CNC(C)C;XBWZQSDHPCFKPL-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144206;MM144206;C#CC(F)CNC(C)C;XGBXTTSFYBQXMY-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144207;MM144207;C#CC(C)COC(C)C;XFIKCGNYXVSOGH-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144208;MM144208;C#CC(C)NCC(C)C;DLWIUQRVXHVKLC-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144209;MM144209;C#CC(C)NCC(C)N;QHNQYPQERCLVLM-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144210;MM144210;C#CC(C)NCC(C)O;UHTNPTMYGPBZOD-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144211;MM144211;C#CC(C)NCC(F)F;WCRDRBFRBISNLU-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144212;MM144212;C#CC(C)OCC(C)C;XQCNXZRQLQUKHA-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144213;MM144213;C#CC(C)OCC(C)F;NAAUXPJVBCEEND-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144214;MM144214;C#CC(C)CCN(C)C;WQUVBZJQIDGBSY-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144215;MM144215;C#CC(N)CCN(C)C;AQPNKVBTEOTBRL-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144216;MM144216;C#CC(F)CCN(C)C;DCMUOGXULDFVKA-UHFFFAOYSA-N;129.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144217;MM144217;C=C(C)CCC(C)CC;WGBNQYMEFJCLRZ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144218;MM144218;C=C(C)CCC(C)CN;BKUWBHLBEWOHPY-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144219;MM144219;C=NN(C)C(=NO)NNC;ACEFCTFJRWCEPN-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144220;MM144220;C=C(C)CCC(C)CF;WZLSHKKKBUPMDC-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144221;MM144221;CCC(C)CCC(C)=O;WYDAUGNQLUXTFB-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144222;MM144222;CC(=O)CCC(C)CF;KIMRNPHFZHTJNT-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144223;MM144223;CCC(C)CCC(=N)N;ZTYMLVSUXGDTSK-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144224;MM144224;CC(CN)CCC(=N)N;GJUKTUSJEXDAJV-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144225;MM144225;CC(CO)CCC(=N)N;QVOJNOZSMGBTIN-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144226;MM144226;CC(CF)CCC(=N)N;YTYUBPFDDBRFRS-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144227;MM144227;NNC(=O)C(CO)C(N)=O;UVHQIBIOQZQLPG-UHFFFAOYSA-N;147.13;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144228;MM144228;CCC(C)CCC(=O)O;DIVCBWJKVSFZKJ-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144229;MM144229;C=C(F)CCC(C)CC;OMKGUUWFSVRTON-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144230;MM144230;C=C(F)CCC(C)CN;VQYWHIKKQMVJSP-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144231;MM144231;C=C(C)CCC(N)CC;OVCUQYUTXGOCKO-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144232;MM144232;C=C(C)CCC(N)CF;DWASSRMOENCMLU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144233;MM144233;CCC(N)CCC(=N)N;ZZZIKJYFLQQOLN-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144234;MM144234;N=C(N)CCC(N)CN;AJWSTCKVAOPHLW-UHFFFAOYSA-N;130.2;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144235;MM144235;N=C(N)CCC(N)CO;QHQNYCKXROUDCD-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144236;MM144236;NCC(N)CCC(N)=O;AFMSPXMTJAWSIB-UHFFFAOYSA-N;131.18;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144237;MM144237;C=C(F)CCC(N)CC;YWRPMJKMEXFCSC-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144238;MM144238;C=C(F)CCC(N)CN;QOJDMFJFIPKZGT-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144239;MM144239;C=C(F)CCC(N)CF;OJYHRLPTTSBQDO-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144240;MM144240;C=CN(C)C(=NO)N(C)O;RJUCBMNXTILZNK-UHFFFAOYSA-N;145.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144241;MM144241;C=C(C)CCC(O)CO;MSCGHNRUVWKLMA-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144242;MM144242;C=C(C)CCC(O)CF;JOVMTJRODQZORS-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144243;MM144243;CC(=O)CCC(O)CO;RXRMKCOJSVYDAW-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144244;MM144244;CC(=O)CCC(O)CF;LZORABROQZFVKP-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144245;MM144245;CCC(O)CCC(=N)N;YCCOAUHYFAQQHE-UHFFFAOYSA-N;130.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144246;MM144246;N=C(N)CCC(O)CN;ADKJBDJDCNQPET-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144247;MM144247;N=C(N)CCC(O)CO;PXHGPRKQZPXXHZ-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144248;MM144248;NCC(O)CCC(N)=O;KLGMKALYCKMJHV-UHFFFAOYSA-N;132.16;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144249;MM144249;C=C(F)CCC(O)CC;ZBTLNKHOAMQFFL-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144250;MM144250;C=C(F)CCC(O)CF;MHDBIGHUTXJIPU-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144251;MM144251;C=C(C)CCC(F)CC;ZTXKMBNBEJCYGE-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144252;MM144252;C=C(C)CCC(F)CN;PVJGVGRLYKDUGB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144253;MM144253;C=C(C)CCC(F)CO;MRBWQGOUESNBIT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144254;MM144254;C=C(C)CCC(F)CF;HMNLAMQFDAXENC-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144255;MM144255;CCC(F)CCC(C)=O;YDAAWBRDEWPHOC-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144256;MM144256;CCC(F)CCC(=N)N;YOZFBXALCPLWMJ-UHFFFAOYSA-N;132.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144257;MM144257;N=C(N)CCC(F)CN;GLDOPBVPUQRWSH-UHFFFAOYSA-N;133.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144258;MM144258;N=C(N)CCC(F)CO;UDLSFSFJRKCZJS-UHFFFAOYSA-N;134.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144259;MM144259;N=C(N)CCC(F)CF;LQQLRLXDCYYUBK-UHFFFAOYSA-N;136.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144260;MM144260;NCC(F)CCC(N)=O;BLLLTMLVYFFFSL-UHFFFAOYSA-N;134.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144261;MM144261;NC(=O)CCC(F)CF;YUCNWASIMWMRMC-UHFFFAOYSA-N;137.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144262;MM144262;C=C(F)CCC(F)CC;DUSRRSHEPQBXKE-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144263;MM144263;C=C(F)CCC(F)CN;FLUMSTNJAKHJLT-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144264;MM144264;C=C(F)CCC(F)CF;PFFBKPFCACNVEY-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144265;MM144265;C=C(C)CCC(C)NC;CFLCMAQEDMVDIZ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144266;MM144266;C=C(F)CCC(C)NC;KJTYRRILJRKWQN-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144267;MM144267;C=C(C)CCC(C)OC;VDBMKBCDDWRZMB-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144268;MM144268;COC(C)CCC(C)=O;VSAGSNXAQBVOAJ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144269;MM144269;C=C(F)CCC(C)OC;CHADDYUSMWREBR-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144270;MM144270;CCC(C)CNC(C)=N;GNKDJNJTRYSMCY-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144271;MM144271;CC(=N)NCC(C)CO;PIKWWZFHLCBFSW-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144272;MM144272;CN(N)C(=NO)NC=CF;VQEBPFYBDYZYGE-UHFFFAOYSA-N;148.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144273;MM144273;CC(=O)NCC(C)CF;ABUDTCKLMLYOCY-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144274;MM144274;CC(CN)CNC(=N)N;FWUIDEGBHDHNIC-UHFFFAOYSA-N;130.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144275;MM144275;CCC(C)CNC(N)=O;ZTICQDHLCSAUML-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144276;MM144276;CC(CN)CNC(N)=O;SPTGZTCCWDJWJI-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144277;MM144277;CCC(N)CNC(C)=N;WULDGVALHKYTGZ-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144278;MM144278;CC(=N)NCC(N)CN;YMUPKJYHHLEZOF-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144279;MM144279;CC(=N)NCC(N)CO;CTSHSSQDQHOSJP-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144280;MM144280;CC(=O)NCC(N)CN;PWBXCSWZSPOMGQ-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144281;MM144281;CCC(N)CNC(=N)N;RQFUHCKAQCJHDQ-UHFFFAOYSA-N;130.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144282;MM144282;N=C(N)NCC(N)CN;CZQACLMYBPWAJX-UHFFFAOYSA-N;131.18;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144283;MM144283;N=C(N)NCC(N)CO;SDWNJJWHZJVRRD-UHFFFAOYSA-N;132.17;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144284;MM144284;N=C(N)NCC(N)CF;GYDOJHYXUOTSPE-UHFFFAOYSA-N;134.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144285;MM144285;CCC(N)CNC(N)=O;DCJICIIOBLVTIX-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144286;MM144286;NCC(N)CNC(N)=O;HFWVDBVTNGRVRR-UHFFFAOYSA-N;132.17;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144287;MM144287;NC(=O)NCC(N)CO;AEWLGJONFNQBKZ-UHFFFAOYSA-N;133.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144288;MM144288;CC(=N)NCC(O)CN;WYVGZGNGFZFGLZ-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144289;MM144289;CC(=N)NCC(O)CO;WTCRQONZGHBOBH-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144290;MM144290;CC(=N)NCC(O)CF;XRSBWLVODVDGEX-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144291;MM144291;CCC(O)CNC(C)=O;LTKKVHOQYLMJFD-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144292;MM144292;CC(=O)NCC(O)CN;NQZDQYVAJKUFRJ-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144293;MM144293;CC(=O)NCC(O)CO;FHBNPEJLQIGOPC-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144294;MM144294;CCC(O)CNC(=N)N;PFJPTIMVMFQIMD-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144295;MM144295;N=C(N)NCC(O)CO;VALHNRXOEXFTBR-UHFFFAOYSA-N;133.15;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144296;MM144296;CCC(O)CNC(N)=O;CBASPNBHVYBJAY-UHFFFAOYSA-N;132.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144297;MM144297;NCC(O)CNC(N)=O;JEJJWMKLWOIIGG-UHFFFAOYSA-N;133.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144298;MM144298;NC(=O)NCC(O)CO;IWJFGRNIFIABLP-UHFFFAOYSA-N;134.14;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144299;MM144299;NC(=O)NCC(O)CF;SSBCHEKUMJAIFA-UHFFFAOYSA-N;136.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144300;MM144300;CCC(F)CNC(C)=N;SHVIGJXFKHPVTO-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144301;MM144301;CC(=N)NCC(F)CN;PJPJINQFYPCZMX-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144302;MM144302;CC(=N)NCC(F)CO;YBLFKKRXRZGQTP-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144303;MM144303;CC(=O)NCC(F)CF;CWKNWKPITMKZAZ-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144304;MM144304;N=C(N)NCC(F)CN;NTDNTONPPNTEEX-UHFFFAOYSA-N;134.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144305;MM144305;NCC(F)CNC(N)=O;FZPNIGBAGWLTIH-UHFFFAOYSA-N;135.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144306;MM144306;NC(=O)NCC(F)CO;PJFXBWZGVNUBSD-UHFFFAOYSA-N;136.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144307;MM144307;CNC(C)CNC(C)=O;UUXMONAFBZKWIY-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144308;MM144308;CNC(C)CNC(=N)N;PAPVVDHBOLPVQC-UHFFFAOYSA-N;130.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144309;MM144309;CNC(C)CNC(N)=O;HNAUIIPKHXPHPJ-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144310;MM144310;C=C(C)OCC(C)CC;LTNLIZHLEWRFSR-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144311;MM144311;C=C(C)OCC(C)CN;KEXYPHDDSDYWDO-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144312;MM144312;C=C(C)OCC(C)CO;HLXHMWLPMDSTJC-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144313;MM144313;C=C(C)OCC(C)CF;XREZTWYXNAILCD-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144314;MM144314;CCC(C)COC(C)=O;XHIUFYZDQBSEMF-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144315;MM144315;CCC(C)COC(=N)N;XRZWJGFANFWBDZ-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144316;MM144316;CC(CN)COC(=N)N;CTZVTXQRCSZZPF-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144317;MM144317;CC(CO)COC(=N)N;PSOGPRQGNICVEN-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144318;MM144318;CC(CO)COC(N)=O;CYHGVTHKNRESIV-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144319;MM144319;C=C(C)OCC(N)CC;QIDGBVYEBPAJMJ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144320;MM144320;C=C(C)OCC(N)CN;JFTDGJHXEIMWFL-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144321;MM144321;C=C(C)OCC(N)CF;QZYYUMXZTNPWRF-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144322;MM144322;CC(=O)OCC(N)CN;OMFVKEFIEKWXMW-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144323;MM144323;CC(=O)OCC(N)CO;PLNKLNFRKMRPIU-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144324;MM144324;CCC(N)COC(=N)N;AFKHQVNYZMLHOH-UHFFFAOYSA-N;131.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144325;MM144325;N=C(N)OCC(N)CN;OHTSKOMWZYJQNE-UHFFFAOYSA-N;132.17;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144326;MM144326;N=C(N)OCC(N)CO;PQDOPFLWZSEZPM-UHFFFAOYSA-N;133.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144327;MM144327;N=C(N)OCC(N)CF;QXOPMWQQCCBQMU-UHFFFAOYSA-N;135.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144328;MM144328;NCC(N)COC(N)=O;BGFSQCGMXJOYIC-UHFFFAOYSA-N;133.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144329;MM144329;NC(=O)OCC(N)CO;ULWRZFSBPPLCTO-UHFFFAOYSA-N;134.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144330;MM144330;C=C(C)OCC(O)CC;JXPOEFHWRSSWAY-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144331;MM144331;C=C(C)OCC(O)CO;UAIRLKNEZWEEJO-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144332;MM144332;C=C(C)OCC(O)CF;JYYWMOSOPZCSRM-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144333;MM144333;CC(=O)OCC(O)CN;GGMNBCBSRLLJIV-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144334;MM144334;CC(=O)OCC(O)CO;KMZHZAAOEWVPSE-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144335;MM144335;CC(=O)OCC(O)CF;JWADISGGUQGACG-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144336;MM144336;N=C(N)OCC(O)CN;XMGSTBRXTLYEJA-UHFFFAOYSA-N;133.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144337;MM144337;N=C(N)OCC(O)CO;MANPPPRFIMHDIU-UHFFFAOYSA-N;134.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144338;MM144338;N=C(N)OCC(O)CF;MZARHBKQTDTVCF-UHFFFAOYSA-N;136.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144339;MM144339;NCC(O)COC(N)=O;TVPIAALDTITQQT-UHFFFAOYSA-N;134.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144340;MM144340;NC(=O)OCC(O)CF;GDWTVILXNVIHRK-UHFFFAOYSA-N;137.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144341;MM144341;C=C(C)OCC(F)CC;UJDMLVRVLOXRSC-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144342;MM144342;C=C(C)OCC(F)CO;WZTPQGLYUHCUCF-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144343;MM144343;C=C(C)OCC(F)CF;MNYJYYFVJPXOOH-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144344;MM144344;CC(=O)OCC(F)CN;BWCSPIYGMBLYBN-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144345;MM144345;CC(=O)OCC(F)CO;SBZXDRQBADBFQZ-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144346;MM144346;N=C(N)OCC(F)CN;GLIVJIWOMFZPAC-UHFFFAOYSA-N;135.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144347;MM144347;NCC(F)COC(N)=O;MNEUZVRHXQXBSR-UHFFFAOYSA-N;136.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144348;MM144348;NC(=O)OCC(F)CO;HYNLVBDIORNCTH-UHFFFAOYSA-N;137.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144349;MM144349;C=C(C)OCC(C)NC;NVAXKISFFDLPBM-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144350;MM144350;CNC(C)COC(C)=O;JBKZBQOUNOVJPX-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144351;MM144351;CNC(C)COC(=N)N;GEFFTNQIKPDRHC-UHFFFAOYSA-N;131.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144352;MM144352;C=C(C)OCC(C)OC;KINVSVXRZOHOCA-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144353;MM144353;COC(C)COC(C)=O;BTZVKSVLFLRBRE-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144354;MM144354;COC(C)COC(=N)N;JFGGAEOSUJHCSB-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144355;MM144355;C=C(C)CNC(C)CC;FDGZZMBOMBOSRF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144356;MM144356;C=C(C)CNC(C)CN;BZQRBQMXJXHDEY-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144357;MM144357;C=C(C)CNC(C)CF;PEWJPOBRPMVMSH-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144358;MM144358;CCC(C)NCC(C)=O;BHFZNZPYQSZEDV-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144359;MM144359;CCC(C)NCC(=N)N;LZLUSNDMPSOGIM-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144360;MM144360;CC(CN)NCC(=N)N;SNJYZXZDZAGOHW-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144361;MM144361;CC(CF)NCC(=N)N;OFCBWRJIDDISGX-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144362;MM144362;CC(CN)NCC(N)=O;UEXVLUSZXNMSHM-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144363;MM144363;C=C(F)CNC(C)CN;JKXPFLBAFDRWBI-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144364;MM144364;CC(=N)NNC(C)CN;YGTBQMUYBNBCMR-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144365;MM144365;CC(=N)NNC(C)CF;ZPGYDTVVUMCGKE-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144366;MM144366;CN(C=CF)C(=NO)NN;HMONEBQIKCDIFP-UHFFFAOYSA-N;148.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144367;MM144367;CC(=O)NNC(C)CN;MYSDPHKLUMBXBM-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144368;MM144368;CN(C=O)C(=O)NN;LBXSFDBPOCZYIY-UHFFFAOYSA-N;117.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144369;MM144369;C#CCCN(C)C=NO;NQGUBBZIDVAZDQ-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144370;MM144370;CC(CN)NNC(=N)N;TZNVYUNRBOWFDG-UHFFFAOYSA-N;131.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144371;MM144371;CC(CO)NNC(=N)N;CZFVRPWYKSYRSL-UHFFFAOYSA-N;132.17;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144372;MM144372;CC(CN)NNC(N)=O;RRJZHWZBSIINSF-UHFFFAOYSA-N;132.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144373;MM144373;NNC(=O)CNNC=O;ZHLVRYNSJWFXMS-UHFFFAOYSA-N;132.12;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144374;MM144374;C=C(C)COC(C)CC;HTGHCPQFXIPIPG-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144375;MM144375;C=C(C)COC(C)CN;NTQVWZKXEZHQKN-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144376;MM144376;CCC(C)OCC(C)=O;MZADYCLIJOCLOQ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144377;MM144377;CCC(C)OCC(=N)N;PPKPSZLRQWINGY-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144378;MM144378;CC(CN)OCC(=N)N;ZQBYZQRNJUEVQW-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144379;MM144379;CC(CO)OCC(=N)N;GHVGUWNFQBLXLK-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144380;MM144380;CC(CF)OCC(=N)N;ILGHANQNZUTMIA-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144381;MM144381;CC(CN)OCC(N)=O;UHDUAEMUQFSCCY-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144382;MM144382;CC(CO)OCC(N)=O;XBEFKOLLISRRBU-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144383;MM144383;C#CCc1cc(O)n(N)n1;MNKIPODIJSWALT-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144384;MM144384;C=C(F)COC(C)CN;DYSDDCNRHMJGBE-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144385;MM144385;C=C(F)COC(C)CO;WVXXCBPWQHGETO-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144386;MM144386;Nn1c(=NO)on(O)c1=O;UHCGENYTMRBJIQ-UHFFFAOYSA-N;148.08;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144387;MM144387;C=C(F)COC(C)OC;XNCILHQLRDXNDG-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144388;MM144388;CC(=N)NOC(C)CN;LXOWDENDRGOIHN-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144389;MM144389;CCC(C)ONC(C)=O;IIVOCTKZLQZSKX-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144390;MM144390;CC(CN)ONC(=N)N;GNJBGPYJWRISSS-UHFFFAOYSA-N;132.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144391;MM144391;CC(CO)ONC(=N)N;RSGJAHHTOGVWIT-UHFFFAOYSA-N;133.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144392;MM144392;CC(CF)ONC(=N)N;BKMXYVYSCLCATK-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144393;MM144393;CCC(C)ONC(N)=O;CKPOPSVXZZZSQD-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144394;MM144394;CC(CN)ONC(N)=O;APIFUMJDFLCHHD-UHFFFAOYSA-N;133.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144395;MM144395;CC(CO)ONC(N)=O;GSQXSMCKWYFJEZ-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144396;MM144396;CC(CF)ONC(N)=O;OCDHKDFEPBJOQL-UHFFFAOYSA-N;136.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144397;MM144397;COC(C)ONC(C)=N;RWEJTPXFWNVGPG-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144398;MM144398;COC(C)ONC(=N)N;SFKKSGASLRWNQX-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144399;MM144399;C=C(C)CCN(C)CC;RFPQAXHXBPJOLY-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144400;MM144400;CCN(C)CCC(=N)N;ZZNDRSSQNNJUPK-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144401;MM144401;CCN(C)CCC(N)=O;QXJMQZCWUIAYGK-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144402;MM144402;C=C(F)CCN(C)CC;QRSSGJKMVASQFU-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144403;MM144403;C=CC(C)CCC(=C)C;QDURDEDFGSDOQY-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144404;MM144404;C=C(C)CCC(C)C=O;PBNFMHHHVZJQLF-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144405;MM144405;C=C(C)CCC(C)C#N;ZTGXUUIZEAFXFU-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144406;MM144406;C=CC(C)CCC(C)=O;PGDGAJMRMWVTTA-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144407;MM144407;C#CCOCC(=O)NN;IXRQIVBUZACPRO-UHFFFAOYSA-N;128.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144408;MM144408;NC=NN=CC(=O)NN;MSKJEEBFJGJCFV-UHFFFAOYSA-N;129.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144409;MM144409;C=CC(C)CCC(=O)O;WIMITJBAWKLVLS-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144410;MM144410;C=CC(C)CCC(=C)F;COCBWTDEUANAIT-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144411;MM144411;C=C(F)CCC(C)C#N;CGAURMKRJISVEJ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144412;MM144412;C=CC(N)CCC(=C)C;FAAWBKVLEBNGOL-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144413;MM144413;C=CC(N)CCC(=N)N;FEEHHMZFNCFGQS-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144414;MM144414;C=CC(N)CCC(=C)F;PSWAYOSUSBNBRR-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144415;MM144415;Cc1nc(C)n(O)c1C;ZQKKFZUJLJOLII-UHFFFAOYSA-N;126.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144416;MM144416;C=C(C)CCC(O)C#N;YJAKUDYRDPCPJK-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144417;MM144417;CC(=O)CCC(O)C=O;JVIKTOSGQRBHPB-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144418;MM144418;N=C(N)CCC(O)C=O;JKXIOPVKFNZXGO-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144419;MM144419;N#CC(O)CCC(=N)N;CNFPVVHYQLLWLZ-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144420;MM144420;NC(=O)CCC(O)C=O;AGJRWFLBRCBNCT-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144421;MM144421;N#CC(O)CCC(N)=O;FSYJVWQEJCSJSC-UHFFFAOYSA-N;128.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144422;MM144422;Cn1c(N)nc(O)nc1=O;HWODMDXTUZMRBP-UHFFFAOYSA-N;142.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144423;MM144423;CNc1n[nH]c(O)c1N;YRBDYJUYAQJBLU-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144424;MM144424;C=CC(O)CCC(=C)F;JBWBVNROWDGNOI-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144425;MM144425;C=CC(F)CCC(=C)C;DQIVMYMWOOAWHV-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144426;MM144426;C=C(C)CCC(F)C=O;VGHSTYLTEKBBNZ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144427;MM144427;C=C(C)CCC(F)C#N;BTIWBFUSXMZOMG-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144428;MM144428;C=CC(F)CCC(C)=O;GIQJVXHXDPEPHE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144429;MM144429;N=C(N)CCC(F)C=O;FSTPXDHDVHCVAK-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144430;MM144430;C=CC(F)CCC(=C)F;FXBOOLCPDKIQIA-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144431;MM144431;C=C(F)CCC(F)C=O;SLFHXHNGGSXPTF-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144432;MM144432;C=C(F)CCC(F)C#N;UPBNLHDCKIVJPL-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144433;MM144433;C=CC=CC(C=C)=NO;BZLMOTXVTXNGHO-UHFFFAOYSA-N;123.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144434;MM144434;CC(C=O)CNC(=N)N;KWJLBUOPFQSAJT-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144435;MM144435;CC(C#N)CNC(=N)N;DFLVEPKVTZDFCC-UHFFFAOYSA-N;126.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144436;MM144436;CC(C=O)CNC(N)=O;BXRBSCUDWWGWQN-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144437;MM144437;CC(C#N)CNC(N)=O;RTIYZWJNHVLNPS-UHFFFAOYSA-N;127.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144438;MM144438;C=CC(N)CNC(C)=N;HUSJJVNIWRFALI-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144439;MM144439;C=CC(N)CNC(C)=O;NJBGCVLQIGMTDJ-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144440;MM144440;C=CC(N)CNC(=N)N;AQICCNZWFHFEAB-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144441;MM144441;C=CC(N)CNC(N)=O;SCFITHUGQGJKAK-UHFFFAOYSA-N;129.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144442;MM144442;C=CC(O)CNC(C)=N;MGHWGGZXKQLOHR-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144443;MM144443;CC(=N)NCC(O)C=O;WEQLQBNUAGYRFP-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144444;MM144444;CC(=N)NCC(O)C#N;HAFGAASQPWBVAA-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144445;MM144445;CC(=O)NCC(O)C#N;ALALFMYHFQFUKW-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144446;MM144446;C=CC(O)CNC(=N)N;WAJPAGYVGCNGSM-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144447;MM144447;N=C(N)NCC(O)C=O;RAPJYYJQCXTKCY-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144448;MM144448;N#CC(O)CNC(=N)N;XOUJJXFLLUSSMO-UHFFFAOYSA-N;128.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144449;MM144449;N#CC(O)CNC(N)=O;SZMRZRVVSRTKLR-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144450;MM144450;CC(=N)NCC(F)C#N;KRGJQPRYDDQBBD-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144451;MM144451;N#CC(F)CNC(=N)N;MKTKHGKWMDXMGO-UHFFFAOYSA-N;130.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144452;MM144452;N#CC(F)CNC(N)=O;MMRNXTWUJWUEOY-UHFFFAOYSA-N;131.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144453;MM144453;C=CC(C)COC(=C)C;YQLBDLKFDLDOJB-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144454;MM144454;C=C(C)OCC(C)C#N;SERARDFEUYSBOG-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144455;MM144455;C=CC(C)COC(C)=O;BRFRRYWRNMHZJE-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144456;MM144456;CC(=O)OCC(C)C#N;DXFLBWQIMIAMBU-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144457;MM144457;CC(C=O)COC(=N)N;AOMHFHQJRPJTRB-UHFFFAOYSA-N;130.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144458;MM144458;C=CC(N)COC(=C)C;DMUPCXYBWRBILX-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144459;MM144459;C=CC(N)COC(=N)N;DWKXZCKJTODCMS-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144460;MM144460;C=CC(N)COC(N)=O;OKHWHMXXBJVJAC-UHFFFAOYSA-N;130.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144461;MM144461;C=CC(O)COC(=C)C;AQPDFOQPALBKQP-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144462;MM144462;C=C(C)OCC(O)C=O;CARVVZABQMALGT-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144463;MM144463;CC(=O)OCC(O)C=O;JBDIBAJINGECFE-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144464;MM144464;CC(=O)OCC(O)C#N;QSPNLVPSMMBLFO-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144465;MM144465;C=CC(O)COC(=N)N;JHZUUENOCOYZOD-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144466;MM144466;N=C(N)OCC(O)C=O;QTPLITSFNZYGDZ-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144467;MM144467;N#CC(O)COC(=N)N;FDNKACTTZYVPTO-UHFFFAOYSA-N;129.12;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144468;MM144468;NC(=O)OCC(O)C=O;ANNMBUSPRIWDTK-UHFFFAOYSA-N;133.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144469;MM144469;N#CC(O)COC(N)=O;CJFHEEYMIMMFSV-UHFFFAOYSA-N;130.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144470;MM144470;C=CC(F)COC(=C)C;ZBOXFUZIWFGXMI-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144471;MM144471;C=C(C)OCC(F)C=O;RCFHTXAMDDHESB-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144472;MM144472;C=C(C)OCC(F)C#N;WTHDTEQCWAEYPK-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144473;MM144473;C=CC(F)COC(C)=O;QCZGXEUDOSXCTK-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144474;MM144474;CC(=O)OCC(F)C=O;PIMFGZZOXVRYHH-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144475;MM144475;N=C(N)OCC(F)C=O;KYHSQJGILPBVIQ-UHFFFAOYSA-N;134.11;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144476;MM144476;C=CC(F)COC(N)=O;LTWMNJHMNOBEHL-UHFFFAOYSA-N;133.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144477;MM144477;C=CC(C)NCC(=C)C;UIHXWLHYIKYFCI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144478;MM144478;CC(C#N)NCC(=N)N;FSEFEJXUXDOTQC-UHFFFAOYSA-N;126.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144479;MM144479;CC(C#N)C#CC1CN1;HRHYGCZZZQNQDE-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144480;MM144480;C=C(F)CNC(C)C#N;HTUGTEZQKCKULR-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144481;MM144481;CC(N)=NNC(C)C=O;JQUVXPGTEIXUPB-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144482;MM144482;CC(=N)NNC(C)C#N;JTVWAKJBOKZZKL-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144483;MM144483;CCNNC(=O)C=C(C)F;BVZQHUVBLQLJGR-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144484;MM144484;C=CC(C)NNC(=N)N;AZJGDZGLAYWKBX-UHFFFAOYSA-N;128.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144485;MM144485;CC(C=O)NNC(=N)N;QEBRARNDCULMLH-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144486;MM144486;CC(C#N)NNC(=N)N;NUXQOFAHOMJTTM-UHFFFAOYSA-N;127.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144487;MM144487;CC(C=O)NNC(N)=O;ZIRWWECECCZFTE-UHFFFAOYSA-N;131.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144488;MM144488;C=CC(C)OCC(=C)C;ONMKFGKNRMQALB-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144489;MM144489;C=C(C)COC(C)C=O;SKIOPJFXAPIPSM-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144490;MM144490;C=C(C)COC(C)C#N;YGMSZHMBYAMOBG-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144491;MM144491;CC(C=O)OCC(=N)N;ZLMYRVNFJGVAGO-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144492;MM144492;CC(C#N)OCC(=N)N;DQMIVONSPXSCQY-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144493;MM144493;C=CC(C)OCC(N)=O;VSZJYWIZLBXYSO-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144494;MM144494;CC(C=O)OCC(N)=O;KIGZINSJGJAPOF-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144495;MM144495;CC(C#N)OCC(N)=O;QZWVSPRBQIAAIA-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144496;MM144496;Cn1[nH]c(O)nc(=N)c1=O;VTQNQNBQPGZXMS-UHFFFAOYSA-N;142.12;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144497;MM144497;C=CC(C)OCC(=C)F;FTMMXFXWPLOVBV-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144498;MM144498;C=C(F)COC(C)C=O;NHFAGGSORQPZIP-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144499;MM144499;C=CC(C)ONC(C)=O;DJXUGKPBAOQXOL-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144500;MM144500;CC(C=O)ONC(=N)N;PJAVGLAXVQXEHE-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144501;MM144501;CC(C#N)ONC(=N)N;NEJXCNFIDFFFSX-UHFFFAOYSA-N;128.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144502;MM144502;CC(C=O)ONC(N)=O;XVXLZFTZUQZMPS-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144503;MM144503;CN(C=N)CCC(=N)N;BYZRQZIVKMVULT-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144504;MM144504;CN(C=O)CCC(=N)N;LIOLYNHKYNWWEH-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144505;MM144505;CN(C=N)CCC(N)=O;GFNOUKNYKLTWLO-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144506;MM144506;CC(CN(C)C=NO)=NN;YARWELDSBBPPFR-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144507;MM144507;Cn1[nH]c(=NO)oc1=NN;FEZJZOZVKVDGHK-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144508;MM144508;C=C(F)CCN(C)C=N;BTXBPHIBPXDXOV-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144509;MM144509;C=C(F)CCN(C)C=O;QADHGLFVGCBZLR-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144510;MM144510;C=C(C)CCN(N)C=O;SZDVFRJZYMNQQH-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144511;MM144511;N=CN(N)CCC(=N)N;DPRPFESOLZPJMD-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144512;MM144512;N=C(N)CCN(N)C=O;KESNEZBJNOYVSB-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144513;MM144513;N=CN(N)CCC(N)=O;JKPGLCXAVKDPNP-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144514;MM144514;CNNC(=O)N(N)CCF;LQMOUBKYFAGQLD-UHFFFAOYSA-N;150.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144515;MM144515;CN=c1nc(C)[nH]o1;DMEYUXLHKAIWKJ-UHFFFAOYSA-N;113.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144516;MM144516;C=C(C)CCN(O)C=O;QZZPSIVUGYMJGN-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144517;MM144517;CC(=O)CCN(O)C=O;JFIRPSJXGIQRBI-UHFFFAOYSA-N;131.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144518;MM144518;N=CN(O)CCC(=N)N;UMMSFYJXXCICGT-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144519;MM144519;N=CN(O)CCC(N)=O;SMZDECNICGYAMQ-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144520;MM144520;NC(=O)CCN(O)C=O;NIHRCCFPPDAVAC-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144521;MM144521;C=NN(C)CCC(=C)C;YWQADJVMGRPTFM-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144522;MM144522;CN=CN(N)C(=O)NNC;CYGIZMCJPGKXJV-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144523;MM144523;C=NN(C)CCC(=N)N;UPEMSNKGGLEHFV-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144524;MM144524;CC(=N)N(O)C(C#N)C#N;OJSMYSFKNFSVPQ-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144525;MM144525;CN1NC(=O)CC1=O;JTPISCWESNJUEM-UHFFFAOYSA-N;114.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144526;MM144526;C=NN(C)CCC(=C)F;YZWHZNMFGURQLN-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144527;MM144527;CC(=O)CNN(C)C=N;ULKSHWSGPSFJNH-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144528;MM144528;CN(C=N)NCC(=N)N;LFMJKFFZMLEGJH-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144529;MM144529;CN(C=O)NCC(=N)N;TXPBEXADXFUOIK-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144530;MM144530;CN(N)C(=O)C(O)C=NN;JWAAXVGQVPPITJ-UHFFFAOYSA-N;146.15;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144531;MM144531;C=C(F)CNN(C)C=O;LBTJIUWRRKOYTD-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144532;MM144532;C=C(C)CON(C)C=O;WYYWXFOBQOJNSJ-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144533;MM144533;CN(C=N)OCC(=N)N;FFZNBVPUGGEICI-UHFFFAOYSA-N;130.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144534;MM144534;CN(C=O)OCC(=N)N;SUURZQIPDGVRJV-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144535;MM144535;CN(C=N)OCC(N)=O;MEZPYQYHFUPDPT-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144536;MM144536;CN(C=O)OCC(N)=O;NGQHSIHUADYLNA-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144537;MM144537;C#CC(C)CCC(=C)C;RJFVRULWMXGDOA-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144538;MM144538;C#CC(C)CCC(C)=O;BPKCURQKZJRGGU-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144539;MM144539;CC(=NN)C(O)(CO)CO;RSQCONSUZLWHID-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144540;MM144540;C#CC(C)CCC(=C)F;AHTHKNJROFWSID-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144541;MM144541;C#CC(N)CCC(=C)C;UZEIQPAQQZGJDN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144542;MM144542;C#CC(N)CCC(=N)N;ABMLETYECMRCHL-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144543;MM144543;C#CC(N)CCC(N)=O;YRRAQHMITBSLIX-UHFFFAOYSA-N;126.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144544;MM144544;C#CC(N)CCC(=C)F;JDXHGEXNQCJZNM-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144545;MM144545;C#CC(O)CCC(=C)C;WMGRRPMIYPUIBY-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144546;MM144546;C#CC(O)CCC(=N)N;VGSFVRFNMDSIKX-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144547;MM144547;Nc1cc(=O)n(O)oc1=O;MCNOLTQCNWVOJC-UHFFFAOYSA-N;144.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144548;MM144548;C#CC(F)CCC(=C)C;OUMXWVIYLSFTRG-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144549;MM144549;C#CC(F)CCC(C)=O;PXCRNWPBIRCYCZ-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144550;MM144550;C#CC(F)CCC(=N)N;XSDWODPVBVHCIO-UHFFFAOYSA-N;128.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144551;MM144551;C#CC(F)CCC(N)=O;GRZJTZXNCOERAP-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144552;MM144552;C#CC(F)CCC(=C)F;PKZJDZVOZGOXQX-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144553;MM144553;C#CC(C)CNC(C)=N;RSBJXLIKBFQQPZ-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144554;MM144554;C#CC(C)CNC(C)=O;MRNTVVDLCXKBOO-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144555;MM144555;C#CC(N)CNC(C)=N;FNRAYAZBOBFRQA-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144556;MM144556;C#CC(N)CNC(=N)N;OXBKSVMQFYWHNM-UHFFFAOYSA-N;126.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144557;MM144557;C#CC(O)CNC(C)=N;SCHYGAHHANGACJ-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144558;MM144558;C#CC(O)CNC(=N)N;WSBRMFAPZWIODK-UHFFFAOYSA-N;127.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144559;MM144559;C#CC(F)CNC(C)=O;BCXGFSZBEYFULJ-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144560;MM144560;C#CC(F)CNC(=N)N;QCDCTIJLODLPRU-UHFFFAOYSA-N;129.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144561;MM144561;C#CC(F)CNC(N)=O;SOIDSLANSXLLNJ-UHFFFAOYSA-N;130.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144562;MM144562;C#CC(C)COC(=C)C;LJRRWTJBDJMFJW-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144563;MM144563;C#CC(C)COC(C)=O;SZMSWTFKHWSANN-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144564;MM144564;C#CC(C)COC(N)=O;VVJJZNOCNIWIOQ-UHFFFAOYSA-N;127.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144565;MM144565;C#CC(N)COC(=C)C;SXYHRBZTLMQHNE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144566;MM144566;C#CC(N)COC(=N)N;PROXAZXUQMYHIJ-UHFFFAOYSA-N;127.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144567;MM144567;C#CC(O)COC(C)=O;OTFVQQROWCZRTK-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144568;MM144568;C#CC(O)COC(=N)N;ABQXECJCWDHHEM-UHFFFAOYSA-N;128.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144569;MM144569;C#CC(O)COC(N)=O;ZUDVFAIWQHZLFO-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144570;MM144570;C#CC(F)COC(=C)C;BQVTXNBTYUEGFZ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144571;MM144571;C#CC(F)COC(C)=O;UYKKRKQVCHFAMA-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144572;MM144572;C#CC(F)COC(=N)N;LTUXRLZTVJCKNF-UHFFFAOYSA-N;130.12;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144573;MM144573;C#CC(C)NCC(=N)N;COUASRVTFRLVIQ-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144574;MM144574;C#CC(C)NNC(C)=N;KSYLVQVHYXANKW-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144575;MM144575;C=NOCC(O)(CO)CF;TTWFUKHEJYZBPQ-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144576;MM144576;C#CC(C)NNC(=N)N;QJZXJWVGRQYPBT-UHFFFAOYSA-N;126.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144577;MM144577;C=NN(C)C(=N)C(O)C=O;YXRDRLNDYGLHSD-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144578;MM144578;C#CC(C)OCC(=C)C;UUUCMCQTMACBOT-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144579;MM144579;C#CC(C)OCC(C)=O;XSRZSIWQLCLTPH-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144580;MM144580;C#CC(C)OCC(=N)N;NBDQOTURASKAOD-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144581;MM144581;C#CC(C)OCC(N)=O;MJIRMADXJRPHSE-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144582;MM144582;C#CC(C)OCC(=C)F;WCEMKGIGEGPEGW-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144583;MM144583;C#CC(C)ONC(C)=N;ZWYSKBNSLFIEJM-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144584;MM144584;C#CC(C)ONC(=N)N;RJSTYEMDOVGJMP-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144585;MM144585;C#CC(C)ONC(N)=O;QHOIGOQOGFETPT-UHFFFAOYSA-N;128.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144586;MM144586;C=C(CC)CCC(C)C;LMHAVVHGVLWSHY-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144587;MM144587;C=C(CN)CCC(C)C;DOJMLEGSVDSVTE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144588;MM144588;C=C(CO)CCC(C)C;BWGHVFDXQYHYIW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144589;MM144589;C=C(CF)CCC(C)C;XHYXIGYLBPHCCJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144590;MM144590;C=C(CC)CCC(C)N;JLWXZNUGZXHXEE-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144591;MM144591;C#CC#CCCC(=O)NN;PGFIBJSJBJCXKN-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144592;MM144592;C=C(CC)CCC(C)F;AAGFTZGRBXPWHY-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144593;MM144593;C=C(CO)CCC(C)F;WIQJFQWEMQYJIL-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144594;MM144594;C=C(CF)CCC(C)F;RQCMZWGVPKXSDJ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144595;MM144595;C=C(CC)CCC(F)F;ZLQKKBNGFSCLQT-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144596;MM144596;CCC(=O)CCC(C)C;CCCIYAQYQZQDIZ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144597;MM144597;CC(C)CCC(=O)CF;PVQGXMWZTFQKDJ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144598;MM144598;CCC(=O)CCC(C)F;CFRSTZWFGWDTBR-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144599;MM144599;CCC(=O)CCC(F)F;IFKDIVXKRAVVRU-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144600;MM144600;O=C(CF)CCC(F)F;CTHMZZPYBOKSRF-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144601;MM144601;CNC(=N)CCC(C)C;ARPSEPBIAKOFKC-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144602;MM144602;CNC(=N)CCC(C)F;QWHZNCGXKOCZIC-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144603;MM144603;N=C(CCC(F)F)NN;WENOXEYVDOBHMX-UHFFFAOYSA-N;137.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144604;MM144604;NN=CC#CCC(=O)NN;FHVMOLQESBVSPZ-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144605;MM144605;C#CCC(=NN)C(=O)NN;IXBPRPUHABINHE-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144606;MM144606;CC=CC(=NO)C(C)=CC;TWSREEMYXABUQY-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144607;MM144607;CC(F)CCC(=O)NO;OIKCPVGBUYQHLY-UHFFFAOYSA-N;135.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144608;MM144608;C=C(CCC(C)C)OC;HLOSZEADPGPKHL-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144609;MM144609;C=C(CCC(C)N)OC;FPJWHEQPBJKISH-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144610;MM144610;C=C(CCC(C)F)OC;ANLBEWZRVPQOSM-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144611;MM144611;C=C(CCC(F)F)OC;XQAKBZJABBAPHH-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144612;MM144612;COC(=O)CCC(C)C;KBCOVKHULBZKNY-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144613;MM144613;C=C(CC)CNC(C)C;IKYDRPNCEDAUCZ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144614;MM144614;C=C(CF)CNC(C)C;UTXLWENSWBQDGG-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144615;MM144615;CCC(=O)CNC(C)C;FJYSCVOVKFPDRM-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144616;MM144616;CC(C)NCC(=N)NN;KTUQFUDLFFAAIN-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144617;MM144617;CC(C)NCC(=N)NO;DBRYXIZIVCWPOL-UHFFFAOYSA-N;131.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144618;MM144618;CNC(=O)CNC(C)C;ISKZQFCIUBNKQL-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144619;MM144619;C=C(CNC(C)C)OC;OLYHLQJPFHPZPK-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144620;MM144620;C=C(CC)COC(C)C;XYANPPHRMNMQFO-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144621;MM144621;C=C(CN)COC(C)C;ABNLOPMBJSQPRJ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144622;MM144622;C=C(CO)COC(C)C;XKGRLPHCHZZUMC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144623;MM144623;C=C(CF)COC(C)C;CTZLCYJDDINORR-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144624;MM144624;CCC(=O)COC(C)C;KZDVWZHZLBPULQ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144625;MM144625;CC(C)OCC(=O)CO;KOHSHWJHDTVXSB-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144626;MM144626;CC(C)OCC(=O)CF;LBFLLQLWFDPXIQ-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144627;MM144627;CNC(=N)COC(C)C;LOSAHPMUOFBLDM-UHFFFAOYSA-N;130.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144628;MM144628;CC(C)OCC(=N)NN;FLLKSPHUAYQWAP-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144629;MM144629;CC(C)OCC(=N)NO;FDYAGJRGEHGFLJ-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144630;MM144630;COC(=O)COC(C)C;BNXCBYNURXMCTQ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144631;MM144631;CCC(=N)NCC(C)C;VPEASAOZCVZJJH-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144632;MM144632;CC(C)CNC(=N)CN;JALHEICFWIQIHG-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144633;MM144633;CCC(=N)NCC(C)N;ZCHKGZCOHPGZJX-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144634;MM144634;CC(N)CNC(=N)CN;ODYBJBWFARNZOS-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144635;MM144635;CC(N)CNC(=N)CO;MQEAIQLFKXGZQT-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144636;MM144636;CCC(=N)NCC(C)O;LIWVEADKBUJSHO-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144637;MM144637;CC(O)CNC(=N)CN;MBKSJHVNEWYQHT-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144638;MM144638;CC(O)CNC(=N)CO;BASNBGAMJVQVAE-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144639;MM144639;CC(F)CNC(=N)CN;JVMWRBKJEPJVTE-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144640;MM144640;CC(F)CNC(=N)CO;FTSQZWIORUWDIB-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144641;MM144641;N=C(CN)NCC(F)F;LKOPETBUCVIWNX-UHFFFAOYSA-N;137.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144642;MM144642;N=C(CO)NCC(F)F;JLEQJTQXPFJGCX-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144643;MM144643;CN(C)C(=NO)N(N)C=O;LPZGNGGBTHQUQX-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144644;MM144644;CC(C)CNC(=O)CF;XUEZHSWVWDKYDA-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144645;MM144645;CC(N)CNC(=O)CO;SJKNZQFRUILAFM-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144646;MM144646;CCC(=O)NCC(C)O;INCAHTRUJOJBBB-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144647;MM144647;CC(O)CNC(=O)CO;OOKFMPVAGYPRSL-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144648;MM144648;CCC(=O)NCC(C)F;DOZGOCKHDQDTLA-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144649;MM144649;CC(F)CNC(=O)CO;FXIPYYBQTGNYLG-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144650;MM144650;CCC(=O)NCC(F)F;ULESTSGQPRKLIC-UHFFFAOYSA-N;137.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144651;MM144651;CNC(=N)NCC(C)N;GDNQRPSYWAVPND-UHFFFAOYSA-N;130.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144652;MM144652;CC(N)CNC(=N)NO;QMDREWMBCRWQAS-UHFFFAOYSA-N;132.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144653;MM144653;CC(O)CNC(=N)NN;PFDKAAZVEDOTEV-UHFFFAOYSA-N;132.17;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144654;MM144654;CC(O)CNC(=N)NO;YACVUOMOQAGFGU-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144655;MM144655;CC(F)CNC(=N)NN;LSXPEHTUMHSSOT-UHFFFAOYSA-N;134.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144656;MM144656;CC(F)CNC(=N)NO;SERZPBKAVHHBOT-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144657;MM144657;N=C(NN)NCC(F)F;KTMAUEFYBHVEMA-UHFFFAOYSA-N;138.12;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144658;MM144658;N=C(NO)NCC(F)F;BPQCPMGCAKZRTN-UHFFFAOYSA-N;139.11;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144659;MM144659;CNC(=O)NCC(C)N;ZCHGDZHNXWZGOC-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144660;MM144660;CC(N)CNC(=O)NO;CCYXBOGBAOTUME-UHFFFAOYSA-N;133.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144661;MM144661;CNC(=O)NCC(C)O;VRLJGGYVWWIPPV-UHFFFAOYSA-N;132.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144662;MM144662;C#CCNC(C#N)C(C)=O;VZDZRJANNKNCAS-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144663;MM144663;CC(O)CNC(=O)NO;MVUMZSNNWDSGAT-UHFFFAOYSA-N;134.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144664;MM144664;CNC(=O)NCC(C)F;WYFJUSVUGRHXEJ-UHFFFAOYSA-N;134.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144665;MM144665;CC(F)CNC(=O)NO;MPQRFCYCTVJOJJ-UHFFFAOYSA-N;136.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144666;MM144666;CNC(=O)NCC(F)F;VWEHMMSPZNBTKH-UHFFFAOYSA-N;138.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144667;MM144667;CNC=CC(=NO)N(C)N;WHPZLGDMROMFEO-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144668;MM144668;O=C(NO)NCC(F)F;MQVRXZMYYZPCPJ-UHFFFAOYSA-N;140.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144669;MM144669;COC(=N)NCC(C)N;GWQRJGYFSYHNLD-UHFFFAOYSA-N;131.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144670;MM144670;COC(=N)NCC(C)O;VHCIJBYDOZZPSW-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144671;MM144671;COC(=O)NCC(C)O;OGRXQUOJBCQAGA-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144672;MM144672;CC(C)NNC(=N)CN;YRYCFRIWGMXIRH-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144673;MM144673;CC(C)NNC(=N)CO;DDUCEDLDOYIYOI-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144674;MM144674;CC(C)NNC(=N)NN;ALFLEJFPVGMMQF-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144675;MM144675;CC(C)NNC(=N)NO;JCTLJRKEDHHGFE-UHFFFAOYSA-N;132.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144676;MM144676;CNNC(=O)C(CO)OC;UBWQADVGXCZZHA-UHFFFAOYSA-N;148.16;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144677;MM144677;CNNC(=O)C(=CN)CF;MUERKHFXCJNXOP-UHFFFAOYSA-N;147.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144678;MM144678;CCC(=N)NOC(C)C;MEQMFPXWMXMDLG-UHFFFAOYSA-N;130.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144679;MM144679;CC(C)ONC(=N)CN;WQDVMPDGQOGVSU-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144680;MM144680;CCC(=O)NOC(C)C;DDZPTVGIXAIOFP-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144681;MM144681;Cn1ncc(=O)c(=O)n1O;KTKIGQWJDALHIC-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144682;MM144682;C=C(CN)OCC(C)C;RDCGUVWJRLDVRC-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144683;MM144683;C=C(CO)OCC(C)C;MRJOXNXVVGXMQE-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144684;MM144684;C=C(CF)OCC(C)C;RSRSWYRXCZUDGY-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144685;MM144685;C=C(CF)OCC(C)O;FEAREDQJWIFFQP-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144686;MM144686;C=C(CO)OCC(C)F;NJWMINPTJWGTHZ-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144687;MM144687;CCC(=O)OCC(C)C;FZXRXKLUIMKDEL-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144688;MM144688;CC(C)COC(=O)CF;IUVNEAGUVHAZDR-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144689;MM144689;CCC(=O)OCC(C)N;DCRXWAJTCNJAHB-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144690;MM144690;CC(N)COC(=O)CO;ZDFLLWMLPOEJSH-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144691;MM144691;CC(O)COC(=O)CO;JPQMRGYSHLERGM-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144692;MM144692;CC(O)COC(=O)CF;USWLSUBYVDAKIE-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144693;MM144693;CCC(=O)OCC(C)F;NGCAYVFNXMPUEQ-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144694;MM144694;CC(F)COC(=O)CF;QJTOMKNLSHZPMW-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144695;MM144695;O=C(CO)OCC(F)F;YBBPMKABPLMGLO-UHFFFAOYSA-N;140.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144696;MM144696;CNC(=N)OCC(C)C;FHNOGACGWNVOMZ-UHFFFAOYSA-N;130.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144697;MM144697;CNC(=N)OCC(C)N;UDFFCUWHKVJQOH-UHFFFAOYSA-N;131.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144698;MM144698;CC(N)COC(=N)NO;NLRPELHMHOCQGR-UHFFFAOYSA-N;133.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144699;MM144699;CNC(=N)OCC(C)O;AAJBRCBWVCAFMX-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144700;MM144700;CNC(=O)OCC(C)C;NKDJIJPGIVVJCN-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144701;MM144701;CNC(=O)OCC(C)O;MOHJMTXQZUZXPS-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144702;MM144702;C#Cc1nc(C#CC)c[nH]1;ORMSKBOOZIGSQY-UHFFFAOYSA-N;130.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144703;MM144703;CC(O)COC(=O)NO;MYQKMKVYTFBILY-UHFFFAOYSA-N;135.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144704;MM144704;C=C(CC)CCN(C)C;XNRDGRHJWWJPAX-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144705;MM144705;C=C(CF)CCN(C)C;AZOQVRHSPGDBKY-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144706;MM144706;CNC(=N)CCN(C)C;XVTJYTKSRSUWRG-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144707;MM144707;CN(C)CCC(=N)NN;IWYAJDDFHJDHCA-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144708;MM144708;CN(C)CCC(=N)NO;GZXWUQNIEZZMND-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144709;MM144709;CN(C)CCC(=O)NN;SYUSPJZZPLJCLO-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144710;MM144710;CN(C)CCC(=O)NO;WOJYWPRJVTYGFK-UHFFFAOYSA-N;132.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144711;MM144711;C=C(CCN(C)C)OC;PWLPGGOTCOUALZ-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144712;MM144712;C=CC(=C)CCC(C)C;AYUJQSNERXGLMU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144713;MM144713;C=C(C=O)CCC(C)C;YFVZOFKNABZOKQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144714;MM144714;C=C(C#N)CCC(C)C;BCPGAEBEPKJAGZ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144715;MM144715;C=CC(=C)CCC(C)N;DMHRMODQDLOVEA-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144716;MM144716;ON=CN1CCC1;TUQXRYNEBGASBW-UHFFFAOYSA-N;100.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144717;MM144717;CC=C(F)CC(=O)NN;SCJKIQWQEIECNP-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144718;MM144718;C=C1N=C(N)C(=O)C1O;YTSCAAJJIRTRRU-UHFFFAOYSA-N;126.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144719;MM144719;C=CC(=C)CCC(C)F;KHVDUAOHOVXWFD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144720;MM144720;C=C(C=O)CCC(C)F;DQSJYCFWRCLGHJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144721;MM144721;C=C(C#N)CCC(C)F;VPHMXBPVWRBHGQ-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144722;MM144722;C=CC(=C)CCC(F)F;BQMXSBKBCMKLHO-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144723;MM144723;C=C(C=O)CCC(F)F;JDANKAITNJYAEN-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144724;MM144724;C=C(C#N)CCC(F)F;JQRIWJIFIAFXFJ-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144725;MM144725;C=CC(=O)CCC(C)C;MDIMAZURMJNUMX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144726;MM144726;CC(C)CCC(=O)C=O;LJMFUZJJYPSQSS-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144727;MM144727;CC(C)CCC(=O)C#N;AZUWFNYHHBSELG-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144728;MM144728;C=CC(=O)CCC(C)F;DWUDJLOOWUIUMY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144729;MM144729;CC(F)CCC(=O)C=O;WIPWJZLMZUSVLC-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144730;MM144730;CC(F)CCC(=O)C#N;CTNKTHJGNRDQEB-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144731;MM144731;O=CC(=O)CCC(F)F;GVGYUNHKZUYSNB-UHFFFAOYSA-N;136.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144732;MM144732;N#CC(=O)CCC(F)F;DYEOKKQYFCPELB-UHFFFAOYSA-N;133.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144733;MM144733;C=CC(=C)COC(C)C;HGLDPULAWWXNNV-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144734;MM144734;C=C(C=O)COC(C)C;PORSHTDOZTVJHX-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144735;MM144735;C=C(C#N)COC(C)C;BOYPRQBMAFIDIC-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144736;MM144736;C=CC(=O)COC(C)C;CRAIXGDXFWVEDX-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144737;MM144737;C=CC(=N)NCC(C)C;YGYIIEGDBNLNSQ-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144738;MM144738;CC(C)CN=C(N)C=O;VXBHYHONPAKKMH-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144739;MM144739;C=CC(=N)NCC(C)O;DOJLJKCULFYOGO-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144740;MM144740;C=CNC1=NC(=N)CO1;FLXBMTXLITYUDQ-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144741;MM144741;C=CC(=N)NCC(C)F;AAHFXERUTKKCOE-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144742;MM144742;CNC1=NC(=NN)CO1;AXDBKYMBCOEMHT-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144743;MM144743;C=CC(=N)NCC(F)F;ZXEXBEQOXNJKRR-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144744;MM144744;C=CC1C(C)N1C=NO;JVEWHVMBUKFXLS-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144745;MM144745;CNNC(=O)NC=C(C)F;OFZYNKCSAUBGRM-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144746;MM144746;CC(C)CNC(=O)C#N;VHKCMRMMZRQPHU-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144747;MM144747;COCC(=O)NNCCO;YGRHHJCVHHBJFU-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144748;MM144748;CC(O)CNC(=O)C=O;TXUKLLSCLDSTQX-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144749;MM144749;CC(O)CNC(=O)C#N;RXMROKBMUGAVRF-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144750;MM144750;CNNC(=O)N(C)C=CF;CQCKKUNXSRAIKG-UHFFFAOYSA-N;147.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144751;MM144751;CC(F)CNC(=O)C=O;MDEIXXLBPRVUSV-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144752;MM144752;CC(F)CNC(=O)C#N;SMEASGVLQGOKFN-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144753;MM144753;C=CC(=O)NCC(F)F;YTMNUSQCZKFMEH-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144754;MM144754;C=CC(=N)NNC(C)C;QJWVCHIHMSDMAG-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144755;MM144755;C=CNC(=O)C(O)C=NN;PIJIPENGSXKXOA-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144756;MM144756;C=CC(C=CC(=C)C)=NO;FXDHJJBITXDLOV-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144757;MM144757;C=CC(=N)NOC(C)C;JBBFLSCDHNIQPZ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144758;MM144758;C=CC(=O)NOC(C)C;WUMILNWHGCJGJN-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144759;MM144759;C=CC(=C)OCC(C)C;JBBQRERDTGQZTJ-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144760;MM144760;C=C(C=O)OCC(C)C;OOLLNXDJIRAQRA-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144761;MM144761;C=C(C#N)OCC(C)C;PRQNKMUPHCKYRZ-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144762;MM144762;C=CC(=C)OCC(C)N;NIQSNKSJRXTKDE-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144763;MM144763;C=CC(=C)OCC(F)F;ZUVZZACRAHAZEY-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144764;MM144764;C=CC(=O)OCC(C)C;CFVWNXQPGQOHRJ-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144765;MM144765;CC(C)COC(=O)C#N;POLNWDMPWGSTFE-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144766;MM144766;C=CC(=O)OCC(C)N;OVENINIFSWEPGA-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144767;MM144767;C=CC(=O)OCC(C)O;GWZMWHWAWHPNHN-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144768;MM144768;CC(O)COC(=O)C=O;WKJCZCQYZJBXEG-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144769;MM144769;C=CC(=O)OCC(C)F;MPHNABXBCZDMHW-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144770;MM144770;C=CC(=C)CCN(C)C;JQZARTHFMBUDNZ-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144771;MM144771;C=C(C#N)CCN(C)C;RTOXZOUDJXOZHO-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144772;MM144772;C#CC(=C)CCC(C)C;WBDKXUAKSVVBFU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144773;MM144773;C#CC(=C)CCC(C)N;QKFWFYLBVFNSBT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144774;MM144774;C#CC1(NNC(N)=O)CC1;RIOPCAAJBZAEAR-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144775;MM144775;C#CC(=C)CCC(C)F;PZPSZDLOIPBILJ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144776;MM144776;C#CC(=C)CCC(F)F;RMUBRRYBKKULJU-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144777;MM144777;C#CC(=O)CCC(C)C;HZGOXNOTTBFWMU-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144778;MM144778;C#CC(=O)CCC(C)O;WAAHXVGYFALOCE-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144779;MM144779;C#CC(=C)COC(C)C;UAGUNVPFBYVRBC-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144780;MM144780;C#CC(=O)COC(C)C;PHSYXLDHONCXBS-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144781;MM144781;C#CC(=N)NCC(C)C;MNMQSQYWODGMOQ-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144782;MM144782;C#CC(=N)NCC(C)N;HYINXGYDGOPBBZ-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144783;MM144783;C#CC(=N)NCC(F)F;GUYGGHSKJWYATC-UHFFFAOYSA-N;132.11;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144784;MM144784;C#CC(=O)NCC(C)N;UOPIOGXNNQCMMB-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144785;MM144785;C#CC(=O)NCC(C)O;HZAPNAKJXJQCIK-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144786;MM144786;C#CC(=N)NNC(C)C;RTWADVAXWOBNKP-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144787;MM144787;C#CC=NNCC(=O)NN;RCBVWZIADZCBQO-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144788;MM144788;C#CC(=C)OCC(C)C;PDYHZZPYYIFCLU-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144789;MM144789;C#CC(=C)OCC(F)F;VHYAKVMJWXZANN-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144790;MM144790;C#CC(=O)OCC(C)C;SYCNTMJNXSCVRM-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144791;MM144791;C#CC(=O)OCC(C)F;DLGLYHCHJFHJJZ-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144792;MM144792;C#CC(=O)OCC(F)F;BPRWQWPGBAKWNW-UHFFFAOYSA-N;134.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144793;MM144793;C#CC(=C)CCN(C)C;OYGRVXIXSQRFPK-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144794;MM144794;C=C(C)CCC(=C)CC;HSVUDQUFCWUCMF-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144795;MM144795;C=C(C)CCC(=C)CN;YBCXHNCFQWEMKN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144796;MM144796;C=C(C)CCC(=C)CO;HVACPXHXAZFWRF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144797;MM144797;C=C(C)CCC(=C)CF;ZUZCORNBQAKRMZ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144798;MM144798;C=C(CC)CCC(C)=O;CCHYTSNOZNKRNH-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144799;MM144799;C=C(CO)CCC(C)=O;JSLPQZKESBGOHD-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144800;MM144800;C=C(CF)CCC(C)=O;UFVFXTGOQXHZCN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144801;MM144801;C=C(CC)CCC(=N)N;YAPPIYHJZAMCCO-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144802;MM144802;C=C(CN)CCC(=N)N;OAXTVLXHUWDGHI-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144803;MM144803;C#CC=CCNC(C)=NO;RBLYMZWUXHHAKZ-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144804;MM144804;C=C(CN)CCC(N)=O;QTMATWIHUDSLHJ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144805;MM144805;C=C(CC)CCC(=O)O;SLXSYFSPLZPELJ-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144806;MM144806;C=C(F)CCC(=C)CC;KNKMSQPBXXCPHR-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144807;MM144807;C=C(F)CCC(=C)CO;NTNFPBCDXGIXTJ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144808;MM144808;C=C(F)CCC(=C)CF;PKKAMNNMCJZWSZ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144809;MM144809;C=C(C)CCC(=O)CC;WELSHTLLGUXPLG-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144810;MM144810;CCC(=O)CCC(C)=O;HGRGPAAXHOTBAM-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144811;MM144811;CCC(=O)CCC(=N)N;GZOKNKRHJJRJDG-UHFFFAOYSA-N;128.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144812;MM144812;N=C(N)CCC(=O)CO;WCEQTPZNHMMZJE-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144813;MM144813;NC(=O)CCC(=O)CO;UPXHOUAUOMMEIJ-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144814;MM144814;CCn1ncn(O)c1=O;SBDJGPXBNYLYBR-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144815;MM144815;CC(C)n1ncn(O)c1=O;HDBXAVCDJYJOOO-UHFFFAOYSA-N;143.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144816;MM144816;C=C(F)CCC(=O)CC;YWERKHFMVWGPGK-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144817;MM144817;C=C(F)CCC(=O)CF;SGMYASBIIKGPPQ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144818;MM144818;C=C(C)CCC(=N)NC;LANVTOSFIFOURL-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144819;MM144819;CN=C(N)CCC(C)=O;IUQYZDIXMSNXBI-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144820;MM144820;CC(=O)CCC(=N)NO;KTEIGMAPFZXGJP-UHFFFAOYSA-N;130.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144821;MM144821;CNC(=N)CCC(=N)N;LZZKKRVTINNLJV-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144822;MM144822;N=C(N)CCC(=N)NN;SQYCHNMUBMTXCA-UHFFFAOYSA-N;129.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144823;MM144823;N=C(N)CCC(=N)NO;MJHIURXTAWDEDI-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144824;MM144824;CN=C(N)CCC(N)=O;WEWHIRIJZSAKBN-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144825;MM144825;NN=C(N)CCC(N)=O;NPHVQBVDCVSDQO-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144826;MM144826;N=C(CCC(N)=O)NO;LDWMDKUOQWRIOV-UHFFFAOYSA-N;131.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144827;MM144827;C#CC1(C#N)CC(=O)NO1;IXJQQLZLJMVXMN-UHFFFAOYSA-N;136.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144828;MM144828;C=C(F)CCC(=N)NC;DMRCQKSRCCFOHK-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144829;MM144829;C=NNCC#CC(C)C#N;VOMKBOCHWKLYSK-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144830;MM144830;CNC(=O)CCC(C)=O;KPFALMORZZPMAW-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144831;MM144831;CC(=O)CCC(=O)NO;BBBJZDFCWMSCLS-UHFFFAOYSA-N;131.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144832;MM144832;CNC(=O)CCC(=N)N;ZXHCUSYSGXDJAX-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144833;MM144833;N=C(N)CCC(=O)NN;LVBYHMJYUXEOCN-UHFFFAOYSA-N;130.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144834;MM144834;N=C(N)CCC(=O)NO;PZZXPZFOOOTQOY-UHFFFAOYSA-N;131.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144835;MM144835;CNC(=O)CCC(N)=O;ALWDVDJEMWKXEY-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144836;MM144836;C=NNCC(C=O)C(N)=O;FLDYOXSHMDXGCY-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144837;MM144837;NC(=O)CCC(=O)NO;HOGDNTQCSIKEEV-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144838;MM144838;CONC(=O)C(C)C(C)=O;VWFSYQJLRPQDGM-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144839;MM144839;Nc1cn(O)c(=O)nc1N;FKLAKRXPWFKVJJ-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144840;MM144840;C=C(F)CCC(=O)NC;LSMFFZDSXBTLQA-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144841;MM144841;C=C(F)CCC(=O)NO;XFRPWKYJIIVVAJ-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144842;MM144842;C=C(C)CCC(=C)OC;BIMDHXLBNMPWPA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144843;MM144843;C=C(CCC(C)=O)OC;WRGSQFSWCXZIJZ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144844;MM144844;Oc1ncon1;BXTWRMNZAGYXQQ-UHFFFAOYSA-N;86.05;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144845;MM144845;C=C(F)CCC(=C)OC;WMWCZHSZHVGCQU-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144846;MM144846;C=C(C)CCC(=O)OC;GTGLSKYONBFMMS-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144847;MM144847;COC(=O)CCC(=N)N;XKVAJOLMMZXXMN-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144848;MM144848;C=C(F)CCC(=O)OC;WRGJBSJBTYYUIN-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144849;MM144849;C=C(CC)CNC(C)=N;XROGUDFGDUYPET-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144850;MM144850;C=C(CN)CNC(C)=N;WWAWKKIGKGUJCO-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144851;MM144851;C=C(CO)CNC(C)=N;UGYCJCYGPFPSBF-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144852;MM144852;C#CCCNC(CC)=NO;NSPZJHKMZUHOKZ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144853;MM144853;C=C(CN)CNC(C)=O;SYWKLWLSTFTMRZ-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144854;MM144854;C=C(CN)CNC(=N)N;YSJZYNTXYFFKOZ-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144855;MM144855;C=C(CO)CNC(=N)N;GEDWEDWWDBWNBK-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144856;MM144856;C=C(CN)CNC(N)=O;YVTNDKWWVMBCRT-UHFFFAOYSA-N;129.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144857;MM144857;C=C(CO)CNC(N)=O;OWNFTMJXHAMAIF-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144858;MM144858;CCC(=O)CN=C(C)N;SAZLAQDZKMOKEN-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144859;MM144859;CC(=N)NCC(=O)CO;OGVQXJDQMOQYCT-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144860;MM144860;CC(=O)NCC(=O)CO;KHOFXFFHJCLLOP-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144861;MM144861;CCC(=O)CNC(=N)N;BFAVDDIWUYVUCY-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144862;MM144862;N=C(N)NCC(=O)CO;ZJRMQZKOGNHZKY-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144863;MM144863;N=C(N)NCC(=O)CF;DWRUJXAARHJJMO-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144864;MM144864;CCC(=O)CNC(N)=O;UBMFBLSQPXKAMS-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144865;MM144865;NC(=O)NCC(=O)CO;QJYASUFIALMFKT-UHFFFAOYSA-N;132.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144866;MM144866;NC(=O)NCC(=O)CF;JGRRDPKYYBQKFZ-UHFFFAOYSA-N;134.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144867;MM144867;CNC(=N)CNC(C)=N;WURNKWNRFZZTEA-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144868;MM144868;CC(=N)NCC(=N)NN;DRAQNCOYHQYOAL-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144869;MM144869;CC(=N)NCC(=N)NO;NJKGWKBRVQNVOD-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144870;MM144870;CN=C(N)CNC(C)=O;ZRLFHTUPRLQODV-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144871;MM144871;CC(=O)NCC(=N)NN;DLAPPGPLNLAWND-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144872;MM144872;CC(=O)NCC(=N)NO;SMJUVNGMYHLQES-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144873;MM144873;CNC(=N)CNC(=N)N;DHFRNBYFZVZHMW-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144874;MM144874;N=C(N)NCC(=N)NN;RWPFRSUBZCNBCX-UHFFFAOYSA-N;130.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144875;MM144875;N=C(N)NCC(=N)NO;YBXHNBQCOFRAQZ-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144876;MM144876;CNC(=N)CNC(N)=O;SSFFYEDHFQTJRK-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144877;MM144877;N=C(CNC(N)=O)NN;AGWXMZZKSHKBKR-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144878;MM144878;N=C(CNC(N)=O)NO;UMPGSXCCXBYVOY-UHFFFAOYSA-N;132.12;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144879;MM144879;CNC(=O)CN=C(C)N;UTDSLMSDFMKMSF-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144880;MM144880;CC(=N)NCC(=O)NN;VBGGCTSNHHNVAN-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144881;MM144881;ON=C(NO)NC1CC1O;WLIGWQNZMRXXTQ-UHFFFAOYSA-N;147.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144882;MM144882;CC(=O)NCC(=O)NO;GJKZDIUHYRIXSK-UHFFFAOYSA-N;132.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144883;MM144883;CNC(=O)CNC(=N)N;ONXZIIDGQJODOD-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144884;MM144884;N=C(N)NCC(=O)NN;XDTMMUFVULOBEC-UHFFFAOYSA-N;131.14;-2.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144885;MM144885;CNC(=O)CNC(N)=O;VBEKVRTYXRTNQK-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144886;MM144886;C=CC1=CN=C(NN=C)C1;CUKXCALQBFIVGW-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144887;MM144887;NC(=O)NCC(=O)NO;CQDTYIDYVCSYAA-UHFFFAOYSA-N;133.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144888;MM144888;C=C(CNC(C)=N)OC;VVIDUKHCNVRSEN-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144889;MM144889;C=C(CNC(=N)N)OC;PCYGKPTVDAQNHM-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144890;MM144890;C=C(CNC(N)=O)OC;GSJDYLJAUGWYET-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144891;MM144891;COC(=O)CN=C(C)N;GZFXKAGHOHTBSU-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144892;MM144892;COC(=O)CNC(=N)N;BYUOAQWHIKQRNX-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144893;MM144893;COC(=O)CNC(N)=O;IUFURBFKISNTGI-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144894;MM144894;C=C(CC)COC(=C)C;AZIKUCSHESGLNY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144895;MM144895;C=C(CN)COC(=C)C;LXXFSTIDSARLTF-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144896;MM144896;C=C(CO)COC(=C)C;AOOFLDHNNYIYTG-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144897;MM144897;C=C(CF)COC(=C)C;ZNBOVOWQUJTZRY-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144898;MM144898;C=C(CC)COC(C)=O;WKGRWJCXJGXZFB-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144899;MM144899;C=C(CF)COC(C)=O;SPZNMTITGPTHOL-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144900;MM144900;C=C(CN)COC(=N)N;VUOKJUFDZLFZCW-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144901;MM144901;C=C(CO)COC(=N)N;PGUIQISRXXEGMQ-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144902;MM144902;C=C(CC)COC(N)=O;IJMUJPYOOZGHIS-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144903;MM144903;C=C(CN)COC(N)=O;HBLRFILRYDVFPU-UHFFFAOYSA-N;130.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144904;MM144904;C=C(C)OCC(=O)CC;ILKSCRSVQJIKPV-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144905;MM144905;C=C(C)OCC(=O)CO;PXNXWIKOAPFVPX-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144906;MM144906;CC(=O)OCC(=O)CO;HZGOSCXYXUNZRW-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144907;MM144907;CCC(=O)COC(=N)N;CDTIFKOPONSXBE-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144908;MM144908;N=C(N)OCC(=O)CO;JQUMCQSUBRHWME-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144909;MM144909;N=C(N)OCC(=O)CF;DCTCWGQOQNZNJC-UHFFFAOYSA-N;134.11;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144910;MM144910;NC(=O)OCC(=O)CO;LTKZWHDCUVMUHL-UHFFFAOYSA-N;133.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144911;MM144911;C=C(C)OCC(=N)NO;YTRHRLSCOPNNTO-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144912;MM144912;CC(=O)OCC(=N)NN;FXJKAGGPTWWBGB-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144913;MM144913;CNC(=N)COC(=N)N;DQCNQJGGKRGRBK-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144914;MM144914;N=C(COC(=N)N)NN;BEDVLIFERLDRDS-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144915;MM144915;N=C(COC(=N)N)NO;FNFGPBBGMJAENG-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144916;MM144916;CNC(=N)COC(N)=O;ALZKJNAWPWXNPK-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144917;MM144917;N=C(COC(N)=O)NN;RZEYXTYJDZYELY-UHFFFAOYSA-N;132.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144918;MM144918;C=CCc1nc(CF)c[nH]1;CUHPKNJQSLDXMM-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144919;MM144919;C=C(C)OCC(=O)NO;HWUXUMYCWHPBLJ-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144920;MM144920;CNC(=O)COC(C)=O;NWKGXAKYDIJMTQ-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144921;MM144921;C=CC(O)CNC=NO;SYUABFOUDBGLDF-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144922;MM144922;CC(=O)OCC(=O)NO;ZSNABPSPSVAMGJ-UHFFFAOYSA-N;133.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144923;MM144923;CNC(=O)COC(=N)N;QOGMEQLHPJADKI-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144924;MM144924;N=C(N)OCC(=O)NN;PBFHOSDPLLIVPY-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144925;MM144925;N=C(N)OCC(=O)NO;RKNFUUAPJQYJML-UHFFFAOYSA-N;133.11;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144926;MM144926;CNC(=O)COC(N)=O;WPZIFMOGYCIUFL-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144927;MM144927;C=NNCCNC=NO;BEZFGMHJBJGJQO-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144928;MM144928;C=C(C)OCC(=C)OC;OCLIVRARCOLJOZ-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144929;MM144929;C=C(COC(C)=O)OC;BFYFCVRZWILTPH-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144930;MM144930;C=C(COC(=N)N)OC;BMENVABUVSWJPV-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144931;MM144931;C=C(C)OCC(=O)OC;XBTZDJUFEWZTIT-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144932;MM144932;COC(=O)COC(=N)N;NTEXRNTZOZHLAD-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144933;MM144933;COC(=O)COC(N)=O;BDVVUVVMHZQAQV-UHFFFAOYSA-N;133.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144934;MM144934;C=C(C)CNC(=N)CC;CZXSLBSMJMQUQI-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144935;MM144935;CCC(=N)NCC(=N)N;CPGARBCDDXRCQX-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144936;MM144936;N=C(N)CNC(=N)CN;YYTCCFMENLLGHX-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144937;MM144937;N=C(N)CNC(=N)CO;YUQPJDJWDBWWGT-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144938;MM144938;N=C(N)CNC(=N)CF;VUDXVPQRMARGIU-UHFFFAOYSA-N;132.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144939;MM144939;CCC(=N)NCC(N)=O;QACPZLGEYWCLNE-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144940;MM144940;N=C(CN)NCC(N)=O;XCTGIUCMALRSRQ-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144941;MM144941;NC(=O)CN=C(N)CO;QJHCWPSWYLMMSC-UHFFFAOYSA-N;131.14;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144942;MM144942;C=C(CO)CN(C)C=NO;MHKUMXOWUUOMGN-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144943;MM144943;C=C(F)CNC(=N)CC;QFUVXGXXUFYCGP-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144944;MM144944;C=C(F)CNC(=N)CO;IYMRFJRVSZHOOI-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144945;MM144945;CCC(=NO)N1CC1(C)C;LMMQSPAQOHGHNX-UHFFFAOYSA-N;142.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144946;MM144946;CC(=O)CNC(=O)CO;RWZXKOKPGOTHIC-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144947;MM144947;N=C(N)CNC(=O)CN;UUDAHMDGVHDIEY-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144948;MM144948;N=C(N)CNC(=O)CO;SDMZCKNMLGSJSE-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144949;MM144949;N=C(N)CNC(=O)CF;YERULOTYRBCIIC-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144950;MM144950;CCC(=O)NCC(N)=O;GXHGSRLNYPDKIK-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144951;MM144951;NC(=O)CNC(=O)CO;PUPJJWSKFYGKFM-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144952;MM144952;NC(=O)CNC(=O)CF;CRDOVFNDNUJTDY-UHFFFAOYSA-N;134.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144953;MM144953;CC(C)(C)OC(C#N)=NO;FJCLDKGMEFFRQR-UHFFFAOYSA-N;142.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144954;MM144954;C=C(F)CNC(=O)CO;ZFOZIDYLAYIECY-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144955;MM144955;C=C(C)CNC(=N)NC;KHAIATZFZIUBHR-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144956;MM144956;CNC(=N)NCC(=N)N;XZXWIFSYHZRGGW-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144957;MM144957;N=C(N)CNC(=N)NN;MDUWABSRJUYPTA-UHFFFAOYSA-N;130.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144958;MM144958;N=C(N)CNC(=N)NO;YIYJJFJMFZAZHN-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144959;MM144959;CNC(=N)NCC(N)=O;XFDKOUOVIUYBHF-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144960;MM144960;N=C(NN)NCC(N)=O;XAJDWBBOLNQDLL-UHFFFAOYSA-N;131.14;-2.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144961;MM144961;N=C(NO)NCC(N)=O;SMLXIZQGRRMJGM-UHFFFAOYSA-N;132.12;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144962;MM144962;C=C(F)CNC(=N)NN;YTNPQJSFHZKXLB-UHFFFAOYSA-N;132.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144963;MM144963;C=C(F)CNC(=N)NO;XLINWZBEGHAKSU-UHFFFAOYSA-N;133.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144964;MM144964;CNC(=O)NCC(C)=O;IVCDHVILODFKOW-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144965;MM144965;CC(=O)CNC(=O)NO;OSGZRSLFEBSUPB-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144966;MM144966;CNC(=O)NCC(=N)N;KZZPEGPYABFLRG-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144967;MM144967;N=C(N)CNC(=O)NN;PHDRIOVLRABPJY-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144968;MM144968;N=C(N)CNC(=O)NO;GGXOEIGIZPKBFY-UHFFFAOYSA-N;132.12;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144969;MM144969;CNC(=O)NCC(N)=O;IKLKNHSVVVTXKC-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144970;MM144970;CC(C=O)NC(=NO)NO;WYXYOCWKJZQUMS-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144971;MM144971;NC(=O)CNC(=O)NO;KVGJAUPQUNWFMC-UHFFFAOYSA-N;133.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144972;MM144972;COC=CCC(C#N)=NO;VYCGOAJBGPKSDE-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144973;MM144973;COCOC(CF)=NO;JRVDTUWBOKZYEB-UHFFFAOYSA-N;137.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144974;MM144974;C=C(F)CNC(=O)NC;KUFUCAIGXIYWFX-UHFFFAOYSA-N;132.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144975;MM144975;COC(=N)NCC(=N)N;UODZDLAMTGUUAS-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144976;MM144976;COC(=O)NCC(N)=O;NXDMULPFVLBPPG-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144977;MM144977;CCC(=N)NNC(C)=N;CDPUZIXEGSWCQO-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144978;MM144978;CC(=N)NNC(=N)CN;GSXMFMAQSFDQIU-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144979;MM144979;CC(=N)NNC(=N)CO;PWLQNZHGTRIRQT-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144980;MM144980;CCC(=N)NNC(C)=O;FMPHEYYQOHMXQZ-UHFFFAOYSA-N;129.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144981;MM144981;CC(=O)NN=C(N)CO;YEOPCKHURWSKRV-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144982;MM144982;CCC(=N)NNC(=N)N;PTMPKHNHWGXNSB-UHFFFAOYSA-N;129.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144983;MM144983;N=C(N)NNC(=N)CN;HYCJSKXLGWCTCP-UHFFFAOYSA-N;130.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144984;MM144984;N=C(N)NNC(=N)CO;HULFLUDECZEKOL-UHFFFAOYSA-N;131.14;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144985;MM144985;N=C(CO)NNC(N)=O;UILJRAXBJKVCAJ-UHFFFAOYSA-N;132.12;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144986;MM144986;CC=NOCOC(=O)NN;KDEACEMCYGJYNT-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144987;MM144987;CC(=N)NNC(=O)CN;WXXJKPZTAPUYIV-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144988;MM144988;CC(=N)NNC(=O)CO;PUDMUENVSDENPP-UHFFFAOYSA-N;131.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144989;MM144989;CC(=N)NNC(=O)CF;XKQGXYDWHWOHBR-UHFFFAOYSA-N;133.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144990;MM144990;CCC(=O)NNC(C)=O;PDXVZGTYXXBEQV-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144991;MM144991;CC(=O)NNC(=O)CO;GAMNJROVYITQAR-UHFFFAOYSA-N;132.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144992;MM144992;CC(=O)NNC(=O)CF;OHPOKFHZTWGXGM-UHFFFAOYSA-N;134.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144993;MM144993;CCC(=O)NNC(=N)N;JIRDDVHHEIZRIQ-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144994;MM144994;N=C(N)NNC(=O)CO;DUQUCEMRXMGTPG-UHFFFAOYSA-N;132.12;-2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144995;MM144995;NC(=O)NNC(=O)CO;GVGZGSBGWSICRH-UHFFFAOYSA-N;133.11;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144996;MM144996;CNC(=N)NNC(C)=N;KHQSWLCEJLKKDP-UHFFFAOYSA-N;129.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144997;MM144997;CC(=N)NNC(=N)NN;CLLWKAWBCAYGHY-UHFFFAOYSA-N;130.16;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144998;MM144998;CC(=N)NNC(=N)NO;BQBNXDMKABNOBP-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM144999;MM144999;CNC(=N)NNC(C)=O;QRRDRPHACYYILV-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145000;MM145000;CC(=O)NNC(=N)NO;OAUMOZSBWCHKCE-UHFFFAOYSA-N;132.12;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145001;MM145001;CNC(=N)NNC(=N)N;BRKCZVOZHGHRFF-UHFFFAOYSA-N;130.16;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145002;MM145002;N=C(N)NNC(=N)NN;QYKSSZZQHKWKDT-UHFFFAOYSA-N;131.14;-2.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145003;MM145003;N=C(NN)NNC(N)=O;WLRATIGUSQDZOX-UHFFFAOYSA-N;132.13;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145004;MM145004;CC(=N)NNC(=O)NN;QMSXHOWDPLGFFA-UHFFFAOYSA-N;131.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145005;MM145005;CC(=N)NNC(=O)NO;PUQNLGLYGKQDIB-UHFFFAOYSA-N;132.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145006;MM145006;CC(=O)NNC(=O)NN;WOELNAUJYBMEIS-UHFFFAOYSA-N;132.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145007;MM145007;CNC(=O)NNC(=N)N;LWSYSRPIVKEBTD-UHFFFAOYSA-N;131.14;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145008;MM145008;N=C(N)NNC(=O)NN;IFMGXTLXJCHTBF-UHFFFAOYSA-N;132.13;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145009;MM145009;CNC(=O)NNC(N)=O;VVWUIHPYJZXQRG-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145010;MM145010;NNC(=O)NNC(N)=O;PHJAUGHMFVQKPC-UHFFFAOYSA-N;133.11;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145011;MM145011;NC(=O)NNC(=O)NO;HNBKQGJVLZKGAG-UHFFFAOYSA-N;134.1;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145012;MM145012;COC(=N)NNC(C)=N;WCBVZVUPSIWGPX-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145013;MM145013;COC(=N)NNC(=N)N;GQIGECWXUXUYCY-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145014;MM145014;COC(=O)NNC(=N)N;WBBHMPINTPTPNJ-UHFFFAOYSA-N;132.12;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145015;MM145015;COC(=O)NNC(N)=O;PNARXUZBWHVPNP-UHFFFAOYSA-N;133.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145016;MM145016;COCC(=NN)C(=O)NN;LCIIFCOVKNAQRY-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145017;MM145017;C=CNC(=NN)C(=O)NN;UQBBSEZTHGGGJW-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145018;MM145018;CCC(=N)NOC(=N)N;VJGCWVWKHOXJKG-UHFFFAOYSA-N;130.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145019;MM145019;C#CC(=CCO)C(=O)NN;ZARUXFKQZNDXQI-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145020;MM145020;CC(=O)ONC(=O)CO;JPUJAXAZFXIQSY-UHFFFAOYSA-N;133.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145021;MM145021;CC(=O)ONC(=O)CF;LPZCVYPTHHTRQD-UHFFFAOYSA-N;135.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145022;MM145022;CCC(=O)NOC(N)=O;XGLJDOSGWDETSG-UHFFFAOYSA-N;132.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145023;MM145023;NC(=O)ONC(=O)CO;YWWRLKIIEMSNNP-UHFFFAOYSA-N;134.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145024;MM145024;CNC(=N)NOC(C)=O;HVJVWJYXAJMHKX-UHFFFAOYSA-N;131.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145025;MM145025;CC(=O)ONC(=N)NN;KJTPDJNGBUGXMS-UHFFFAOYSA-N;132.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145026;MM145026;CC(=O)ONC(=O)NN;YMGMDBQTPQDABI-UHFFFAOYSA-N;133.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145027;MM145027;CC(=O)ONC(=O)NO;QBMBPCRTRJGQPQ-UHFFFAOYSA-N;134.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145028;MM145028;NNC(=O)NOC(N)=O;YUWVUSOQHBBIGO-UHFFFAOYSA-N;134.1;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145029;MM145029;NC(=O)ONC(=O)NO;DHZQMRBEWRNUOV-UHFFFAOYSA-N;135.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145030;MM145030;CCN(OC)C(=O)NNC;BHQQTLOARHUSDR-UHFFFAOYSA-N;147.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145031;MM145031;COC(=O)NOC(N)=O;UFPGJEYCXLOFDI-UHFFFAOYSA-N;134.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145032;MM145032;C=C(CO)OCC(=N)N;WHFGYOBBYDNFIS-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145033;MM145033;C=C(CN)OCC(N)=O;ODLSBGAHSHUKPZ-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145034;MM145034;C=C(CO)OCC(N)=O;FDOHLTHUOXRLRA-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145035;MM145035;C=C(CF)OCC(N)=O;NWUBAZMCDMJRTR-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145036;MM145036;N#CC(CCNC=O)=NO;YWUQSDVRHIKRIN-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145037;MM145037;C=C(F)COC(=C)CC;AHFJHJQOQCWDMU-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145038;MM145038;C=C(F)COC(=C)CO;FCGVXQJSWBJSFU-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145039;MM145039;C=C(F)COC(=C)CF;UTEPCWQAJXDLCD-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145040;MM145040;C=C(C)COC(=O)CC;XCOWGEAIBVSRDR-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145041;MM145041;C=C(C)COC(=O)CF;KDWFLALSRMNYNK-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145042;MM145042;CC(=O)COC(=O)CO;XTRHIJZFGRNYHL-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145043;MM145043;N=C(N)COC(=O)CO;CAJIYISHICAEJQ-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145044;MM145044;N=C(N)COC(=O)CF;XLZGRCYFXZWKQD-UHFFFAOYSA-N;134.11;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145045;MM145045;NC(=O)COC(=O)CO;MEHCYMPNGSDCRT-UHFFFAOYSA-N;133.1;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145046;MM145046;NC(=O)COC(=O)CF;GMJVDOINWXSSCX-UHFFFAOYSA-N;135.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145047;MM145047;N=Cn1cnn(O)c1=O;JGBJJESQOWLPCQ-UHFFFAOYSA-N;128.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145048;MM145048;Nc1nc(=O)cnc(=O)[nH]1;SGSLSJDRQSBOLJ-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145049;MM145049;C=C(F)COC(=O)CF;XMAKCZVPIJHJRG-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145050;MM145050;CNC(=N)OCC(=N)N;UDMGFXIHPREYCH-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145051;MM145051;N=C(N)COC(=N)NN;UPWOPJNDHUGYGN-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145052;MM145052;N=C(N)COC(=N)NO;WYOCOKKWWPAVOV-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145053;MM145053;CNC(=N)OCC(N)=O;GFQANHAKEKPATP-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145054;MM145054;C=C(C)COC(=O)NO;GSVCRXDVCJHGRD-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145055;MM145055;CNC(=O)OCC(C)=O;MELGNQSWXQQTLL-UHFFFAOYSA-N;131.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145056;MM145056;CC(=O)COC(=O)NO;UOQZYEBMSJNHFI-UHFFFAOYSA-N;133.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145057;MM145057;CNC(=O)OCC(=N)N;HBCLDQXCEOPSLN-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145058;MM145058;N=C(N)COC(=O)NN;NDPRAWRQBDHQDT-UHFFFAOYSA-N;132.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145059;MM145059;CNC(=O)OCC(N)=O;QOHDZDVOTGBBJP-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145060;MM145060;NNC(=O)OCC(N)=O;WRMJDUKJMWUJRP-UHFFFAOYSA-N;133.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145061;MM145061;NC(=O)COC(=O)NO;LEDXKZIZFFUEAI-UHFFFAOYSA-N;134.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145062;MM145062;C=NOC(C#CC#N)=NO;LTCAMGSHBBLXMM-UHFFFAOYSA-N;137.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145063;MM145063;Cc1nn(N)c(=O)nc1O;SBIVXTPHOQDPFU-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145064;MM145064;C=C(F)COC(=O)NC;NLDBLCLFDMLFOA-UHFFFAOYSA-N;133.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145065;MM145065;COC(=O)OCC(=N)N;WBUDUFPEDLWRIA-UHFFFAOYSA-N;132.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145066;MM145066;COC(=O)OCC(N)=O;GILDMDGJWKVTMK-UHFFFAOYSA-N;133.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145067;MM145067;CC(=O)NOC(=O)CO;ZLKOUCHKKWDGNO-UHFFFAOYSA-N;133.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145068;MM145068;CC(=O)NOC(=O)CF;DCOBFIUDKCWIOD-UHFFFAOYSA-N;135.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145069;MM145069;N=C(N)NOC(=O)CO;GAVFRPJAGBDYAM-UHFFFAOYSA-N;133.11;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145070;MM145070;N=C(N)NOC(=O)CF;DUDHUPREYLOBNV-UHFFFAOYSA-N;135.1;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145071;MM145071;CCC(=O)ONC(N)=O;YTTHRPQCWJJCFY-UHFFFAOYSA-N;132.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145072;MM145072;NC(=O)NOC(=O)CO;VBWSXKBDPANAQG-UHFFFAOYSA-N;134.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145073;MM145073;NC(=O)NOC(=O)CF;LBPNAGIZEYCZCZ-UHFFFAOYSA-N;136.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145074;MM145074;CC(=N)NOC(=N)NN;GIVBJCVFYIMUSN-UHFFFAOYSA-N;131.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145075;MM145075;CNC(=N)ONC(=N)N;YLQSJUUXGYNUJI-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145076;MM145076;N=C(N)NOC(=N)NO;BLHJAIYWJOJBKI-UHFFFAOYSA-N;133.11;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145077;MM145077;C#Cc1c[nH]c(C#CC)n1;OEPWSEZUEPNZFK-UHFFFAOYSA-N;130.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145078;MM145078;NNC(=O)ONC(N)=O;FHKSFNVELZMWIL-UHFFFAOYSA-N;134.1;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145079;MM145079;COC(=O)ONC(=N)N;DPNJGOXUZPURAM-UHFFFAOYSA-N;133.11;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145080;MM145080;COC(=O)ONC(N)=O;RFBSXDCUMJYAIX-UHFFFAOYSA-N;134.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145081;MM145081;C=CC(=C)CCC(=C)C;QPXORQUTYYVNDJ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145082;MM145082;C=C(C)CCC(=C)C=O;DTRDANDVQZMAHU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145083;MM145083;C=C(C)CCC(=C)C#N;RDZLMPZMYKKQHN-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145084;MM145084;C=CC(=C)CCC(C)=O;RSKHDXVQTSQBPS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145085;MM145085;C=CC(=C)CCC(=N)N;XJMDTUYKHWRWSE-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145086;MM145086;C=C(C=O)CCC(=N)N;JQXIDQNHFKCODP-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145087;MM145087;C=C(C#N)CCC(=N)N;NHASBXAJWWBEIQ-UHFFFAOYSA-N;123.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145088;MM145088;CN1CC1C1CC1(O)C#N;KURSSTFKBJSIAL-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145089;MM145089;C=CC(=C)CCC(=O)O;NNYWDUOCLFZBAS-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145090;MM145090;C=C(C#N)CCC(=O)O;DJICJZYVIVAFRT-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145091;MM145091;C=CC(=C)CCC(=C)F;RWAVLAGTNMAXHB-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145092;MM145092;C=C(F)CCC(=C)C=O;CVGSOGIREULGND-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145093;MM145093;C=C(F)CCC(=C)C#N;LFFNKUMPFVVFPM-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145094;MM145094;C=CC(=O)CCC(=C)C;FZTKOXBDJNTWKI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145095;MM145095;N=C(N)CCC(=O)C=O;FZIZJEFYYGBLBY-UHFFFAOYSA-N;128.13;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145096;MM145096;N#CC(=O)CCC(=N)N;MWIVTAMACSGPQK-UHFFFAOYSA-N;125.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145097;MM145097;NC(=O)CCC(=O)C=O;LJYRPOPCSFIOBQ-UHFFFAOYSA-N;129.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145098;MM145098;N#CC(=O)CCC(N)=O;BCGMCSLXUZLYSE-UHFFFAOYSA-N;126.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145099;MM145099;Nn1c(F)cc(O)c1F;LHKGHTBWYWVYMY-UHFFFAOYSA-N;134.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145100;MM145100;C=CC(=O)CCC(=C)F;OHWAQXMWZGDSAK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145101;MM145101;C=CC(=C)CNC(C)=N;XGEQPGSWIIUHSF-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145102;MM145102;C=C(C=O)CNC(C)=N;ZDZUGLMPZBZZTM-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145103;MM145103;C#CC(C#N)CCN1CC1;PGZAGMNQXWHAFY-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145104;MM145104;C=C(C=O)CNC(=N)N;DZLGYXRFYXFTDD-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145105;MM145105;C=C(C#N)CNC(=N)N;IVQZXKNIVDHIHP-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145106;MM145106;C=C(C=O)CNC(N)=O;PSGIHCHAIOYNAY-UHFFFAOYSA-N;128.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145107;MM145107;C=C(C#N)CNC(N)=O;LYGJSLWJGYUHPB-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145108;MM145108;CC(=N)NCC(=O)C=O;LJPCPNSRUXNADG-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145109;MM145109;CC(=O)NCC(=O)C=O;ANWZKUAZEXCCFH-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145110;MM145110;C=CC(=O)CNC(=N)N;CKSAUXYUVPOQJO-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145111;MM145111;N=C(N)NCC(=O)C=O;WIBRDZVFZZLKLL-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145112;MM145112;C=CC(=O)CNC(N)=O;AZDROUQWFGLFHF-UHFFFAOYSA-N;128.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145113;MM145113;NC(=O)NCC(=O)C=O;UUHLRMCHLUHVBK-UHFFFAOYSA-N;130.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145114;MM145114;C=CC(=C)COC(=C)C;QCLWLNQUASKATB-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145115;MM145115;C=C(C=O)COC(=C)C;OZHMOKWELCPQJE-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145116;MM145116;C=C(C#N)COC(=C)C;VQKILUHRSSJXPF-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145117;MM145117;C=CC(=C)COC(C)=O;LYPVIZDXNQLMHU-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145118;MM145118;C=C(C#N)COC(=N)N;BLSMIMDSFDWNKA-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145119;MM145119;C=CC(=C)COC(N)=O;HOHMXJYLZJXAMS-UHFFFAOYSA-N;127.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145120;MM145120;C=CC(=O)COC(=C)C;VVYBMEWWPDXWTO-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145121;MM145121;CC(=O)OCC(=O)C=O;NGIZBXCETJWCRW-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145122;MM145122;CC(=O)OCC(=O)C#N;KNQXQZSRXRRCIZ-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145123;MM145123;C=CC(=O)COC(=N)N;HQLPMPOULZJWBV-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145124;MM145124;N#CC(=O)COC(=N)N;KFOBCSOBOBVHKX-UHFFFAOYSA-N;127.1;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145125;MM145125;NC(=O)OCC(=O)C=O;ANNPNOWVBGLBFP-UHFFFAOYSA-N;131.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145126;MM145126;C=CC(=N)NCC(=C)C;JMORFWKONWJIDX-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145127;MM145127;C=CC(=N)NCC(=N)N;UXPZRLHOKUIBLH-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145128;MM145128;N=C(N)CN=C(N)C=O;BQMOLSUNLVMFGX-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145129;MM145129;N#CC(=N)NCC(=N)N;FMUMSOFTBKNOMM-UHFFFAOYSA-N;125.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145130;MM145130;C=CC(N)=NCC(N)=O;IBXGUQRMXCICIS-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145131;MM145131;NNC(=O)CC1(F)CC1;SVFVNPKAHDSQCY-UHFFFAOYSA-N;132.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145132;MM145132;NN=COCC(=O)NN;JHWLWLKEOJGMSY-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145133;MM145133;C=Cc1n[nH]c(C)c1O;KLGXWRNIFBIWMH-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145134;MM145134;C=CC(=N)NCC(=C)F;ZAKDDGBHDRKRGC-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145135;MM145135;CON=C(C)C(=O)NN;LRLAMIPCGUXZRA-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145136;MM145136;C=C(C)C1CN1C=NO;MCGRPGWVPOMJED-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145137;MM145137;C=C(C)CNC(=O)C#N;DOISYXYHTWMJGV-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145138;MM145138;CC(O)C(O)C(=O)N(C)N;GUSURLJHYQNOFF-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145139;MM145139;C=CC(=O)NCC(=N)N;NSMONBBLTNZXQS-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145140;MM145140;N=C(N)CNC(=O)C=O;OYEFDMQRUOVBHH-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145141;MM145141;N#CC(=O)NCC(=N)N;KPGRPMZHAAOIED-UHFFFAOYSA-N;126.12;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145142;MM145142;C=CC(=O)NCC(N)=O;GVGGWUXGMRTNIK-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145143;MM145143;NC(=O)CNC(=O)C=O;RHAZNQDNPTWRED-UHFFFAOYSA-N;130.1;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145144;MM145144;Nn1c(=O)c(O)c(F)n1O;IELWWBAGRFTFNJ-UHFFFAOYSA-N;149.08;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145145;MM145145;CN(CC(=O)NN)NC=O;PMKQOYQCJCNGIO-UHFFFAOYSA-N;146.15;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145146;MM145146;C=C(F)CNC(=O)C=O;BDZDMECXZHBFIU-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145147;MM145147;C=CC(=N)NNC(C)=N;BUCQXRQFUZADII-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145148;MM145148;CC(=N)NNC(=N)C#N;ISFPHCCUZFIWCN-UHFFFAOYSA-N;125.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145149;MM145149;C=CC(=N)NNC(=N)N;QEKMUHIBQHXMMI-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145150;MM145150;N#CC(=N)NNC(=N)N;AXVXARYUXKTZRL-UHFFFAOYSA-N;126.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145151;MM145151;C=CC(=N)NNC(N)=O;HNCKBYGGNAQYHL-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145152;MM145152;N#CC(=N)NNC(N)=O;PCOOWYZLFFOLOI-UHFFFAOYSA-N;127.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145153;MM145153;CC(=N)NNC(=O)C=O;WPQZKTGJCVJGDJ-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145154;MM145154;C=CC(=O)NNC(C)=O;IZKUWTDESDNCCG-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145155;MM145155;CC(=O)NNC(=O)C=O;GZZNHQPIWCGCOB-UHFFFAOYSA-N;130.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145156;MM145156;C=CC(=O)NNC(=N)N;DIMQWIQAAZZPCI-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145157;MM145157;N=C(N)NNC(=O)C=O;VRBZESCGXCATMJ-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145158;MM145158;C=CC(=O)NNC(N)=O;MOTDNXYKGMWBHE-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145159;MM145159;NC(=O)NNC(=O)C=O;LKFUCNDRQWDVNN-UHFFFAOYSA-N;131.09;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145160;MM145160;CC(CC(F)F)C(=O)NN;ZIOLGDHFFDPIIV-UHFFFAOYSA-N;152.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145161;MM145161;C=NNC(=NO)NN(C)C;MYKVQIKOVGLIFO-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145162;MM145162;CCON(C)C(=O)NNC;RGTBHPAFRLSKKT-UHFFFAOYSA-N;147.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145163;MM145163;C=CC(=N)NOC(=N)N;RMXDOSWMFFJHCS-UHFFFAOYSA-N;128.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145164;MM145164;N#CC(=N)NOC(N)=O;XNULRQRWARFAGJ-UHFFFAOYSA-N;128.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145165;MM145165;C=CC(=O)NOC(C)=O;CZVPQVNECSOOHI-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145166;MM145166;CC(=O)ONC(=O)C#N;WEIBSWQWCWVPGD-UHFFFAOYSA-N;128.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145167;MM145167;NC(=O)ONC(=O)C=O;PZWOOEPNENLLKO-UHFFFAOYSA-N;132.08;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145168;MM145168;C=C(C)COC(=C)C#N;KCIKDADPSFPZPW-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145169;MM145169;C=C(C=O)OCC(=N)N;BDCPNIXPRCSHHZ-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145170;MM145170;C=C(C#N)OCC(=N)N;GVJKKINUMLRQTM-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145171;MM145171;C=CC(=C)OCC(N)=O;NLGFEYMEJJYSAA-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145172;MM145172;C=C(C=O)OCC(N)=O;LJKGPLAUCVLTFJ-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145173;MM145173;C=C(C#N)OCC(N)=O;DJNZDGOJMMGGAG-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145174;MM145174;N#Cc1coc(=N)[nH]1;SQXSAKSTBAYJJW-UHFFFAOYSA-N;109.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145175;MM145175;C=CC(=O)OCC(=C)C;HVVPYFQMCGANJX-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145176;MM145176;C=C(C)COC(=O)C#N;VQYQKIIVEFDOGE-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145177;MM145177;C=CC(=O)OCC(C)=O;GWVCVAQQKXFICP-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145178;MM145178;CC(=O)COC(=O)C=O;IOOQOJULHSGTSE-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145179;MM145179;C=CC(=O)OCC(=N)N;UNLQAOPFCHPJCL-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145180;MM145180;N=C(N)COC(=O)C=O;RPNNMUHLTJWDOZ-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145181;MM145181;N#CC(=O)OCC(=N)N;YEERQYADULMRFP-UHFFFAOYSA-N;127.1;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145182;MM145182;C=CC(=O)OCC(N)=O;DUQUEXKPXRQEHW-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145183;MM145183;NC(=O)COC(=O)C=O;CEGVYYOUNLXLKG-UHFFFAOYSA-N;131.09;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145184;MM145184;N#CC(=O)OCC(N)=O;DTBOSQRXIJVSSK-UHFFFAOYSA-N;128.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145185;MM145185;O=CC1CC(F)C1=O;LWSWYYJESXJCAM-UHFFFAOYSA-N;116.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145186;MM145186;Cn1c(=O)on(O)c1=O;ROPGCLNXOBXXGB-UHFFFAOYSA-N;132.08;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145187;MM145187;C=CC(=O)OCC(=C)F;BHCQUHNBSKXUMT-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145188;MM145188;C=C(F)COC(=O)C=O;ZSIPMPAIMFFIRD-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145189;MM145189;C=C(F)COC(=O)C#N;QDEKSKJBNPVCSY-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145190;MM145190;C=CC(=O)ONC(C)=O;OLHLEEHANYPXBZ-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145191;MM145191;C=CC(=O)ONC(=N)N;PDZDLAOASBJMMO-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145192;MM145192;N=C(N)NOC(=O)C=O;WAZFGUBRWZBPKO-UHFFFAOYSA-N;131.09;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145193;MM145193;NC(=O)NOC(=O)C=O;XSSALDLHFMVDQE-UHFFFAOYSA-N;132.08;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145194;MM145194;C#CC(=C)CCC(=C)C;ZARSGHIXNDYQDJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145195;MM145195;C#CC(=C)CCC(C)=O;MCQSOSZHPCLBFN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145196;MM145196;C#CC(=C)CCC(=N)N;NHMHAPRZYWSXSQ-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145197;MM145197;N#CC(=N)NCC(O)C#N;FSTJIERHGUSACB-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145198;MM145198;C#CC(=C)CCC(=O)O;YONFOHZEZZKHST-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145199;MM145199;C#CC(=C)CCC(=C)F;FQWRLWDBCZOADD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145200;MM145200;C#CC(=O)CCC(=N)N;SMZAOOSMOKPHHF-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145201;MM145201;C#CC(=O)CCC(N)=O;BETSYGICTNPFLN-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145202;MM145202;C#CC(=C)CNC(C)=N;JJKXVMKWMAPUOB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145203;MM145203;C#CC(=C)CNC(=N)N;KHQMFPZJYHFDSJ-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145204;MM145204;C#CC(=C)CNC(N)=O;QDYQHQQKRVBQHT-UHFFFAOYSA-N;124.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145205;MM145205;C#CC(=O)CNC(C)=O;AMMXGZWZGFCEGV-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145206;MM145206;C#CC(=O)CNC(=N)N;SPUJGGCNJJIQES-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145207;MM145207;C#CC(=O)CNC(N)=O;HGNQKSDXCOKYLN-UHFFFAOYSA-N;126.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145208;MM145208;C#CC(=C)COC(=C)C;CCLWRVYLGSRAAX-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145209;MM145209;C#CC(=C)COC(C)=O;FBNNPEWNDCTILD-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145210;MM145210;C#CC(=O)COC(=C)C;GCQFFKCNZTZNIB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145211;MM145211;C#CC(=O)COC(=N)N;WMOVHNJCYVHNMO-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145212;MM145212;C#CC(=N)NCC(=N)N;TVGFMOADXXOMCO-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145213;MM145213;C#CC(=O)NCC(C)=O;QYZGMMBVXVNDHT-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145214;MM145214;C#CC(=O)NCC(=N)N;QMJLDTOKCOJJDX-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145215;MM145215;C#CC(=O)NCC(N)=O;QPWIHADQNXHXQY-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145216;MM145216;N#Cc1oc(=O)n(O)c1N;HVWUCDHJRKGWQP-UHFFFAOYSA-N;141.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145217;MM145217;C#CC(=O)NNC(C)=N;KXSZGPPZFWTQHQ-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145218;MM145218;C#CC(=O)NNC(C)=O;POMMZOYHSWVMRR-UHFFFAOYSA-N;126.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145219;MM145219;C#CC(=O)NNC(=N)N;TXMHVEPRNMQFHY-UHFFFAOYSA-N;126.12;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145220;MM145220;C#CC(=O)NNC(N)=O;FBPGBARXGZVSNX-UHFFFAOYSA-N;127.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145221;MM145221;C#CC(=C)OCC(=C)C;AOYYCADQAGAOQB-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145222;MM145222;C#CC(=C)OCC(C)=O;UEOUDRYABJVLGZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145223;MM145223;C#CC(=C)OCC(=N)N;MPVGMPKLEXCVSY-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145224;MM145224;C#CC(=C)OCC(N)=O;LJOHZNXRZONVND-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145225;MM145225;C#CC(=O)OCC(=C)C;CNEMZASFZOENAV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145226;MM145226;C#CC(=O)OCC(N)=O;RHTOHFBZWLVWHB-UHFFFAOYSA-N;127.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145227;MM145227;C#CC(=O)OCC(=C)F;FKPODTDBWVHVJD-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145228;MM145228;C#CC(=O)ONC(=N)N;HMOHXORDPPUKDR-UHFFFAOYSA-N;127.1;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145229;MM145229;C#CC(=O)ONC(N)=O;KAKYJGSQCAAKPH-UHFFFAOYSA-N;128.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145230;MM145230;CC=C(C)CCC(C)C;DSBSAPLNKJSMLK-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145231;MM145231;CC(=CF)CCC(C)C;AKXLMQZZMRPXLG-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145232;MM145232;CC=C(C)CCC(C)N;JVCNWYXXFIAAQV-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145233;MM145233;NNC(=O)CNC(=O)NN;AECONZHUSYIAKT-UHFFFAOYSA-N;147.14;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145234;MM145234;C=CC(C)=CC(=NO)NN;LHFLVHVTOYNCEH-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145235;MM145235;CC=C(C)CCC(C)F;PMZUENRWULDIBZ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145236;MM145236;CC(=CF)CCC(C)F;WRCAHDCTGPBIPF-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145237;MM145237;CC=C(C)CCC(F)F;KQBMRSHOKJPLKU-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145238;MM145238;CC(=CF)CCC(F)F;OYIMUANQVWCENO-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145239;MM145239;CC=C(F)CCC(C)C;OAJDPLICMBYFCJ-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145240;MM145240;CC=C(F)CCC(C)N;QCHJPAJVJWWKJT-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145241;MM145241;CC(N)CCC(F)=CF;FHUFIVUDLAHHSN-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145242;MM145242;CC=C(F)CCC(C)O;HVZVJAXKMTUDQA-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145243;MM145243;CC(O)CCC(F)=CF;RZFNRBBQHFBUFE-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145244;MM145244;CC(F)CCC(F)=CF;YXGJISGWNNBWFJ-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145245;MM145245;CC=C(F)CCC(F)F;PEWTVEJWXYPHFB-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145246;MM145246;FC=C(F)CCC(F)F;ZUOPTLMDSIFZKN-UHFFFAOYSA-N;142.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145247;MM145247;CC(CCC(C)C)=NN;OBYFOVVXTQSAPM-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145248;MM145248;CC(=O)CNC(=NO)NO;RSBFDOAAFLIHNN-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145249;MM145249;CC(F)=CNC(=NO)NN;NDSNRIWOHQZIKY-UHFFFAOYSA-N;148.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145250;MM145250;CC(CCC(C)F)=NN;OHUXQCASFQCAJX-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145251;MM145251;CC(CCC(C)F)=NO;FIKDOIIGJVOHLL-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145252;MM145252;CC(CCC(F)F)=NO;YZPRPKFUVKITDV-UHFFFAOYSA-N;137.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145253;MM145253;CC=C(C)CNC(C)C;WLAHZGZDZNSOIF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145254;MM145254;CC(=CF)CNC(C)C;SJWBIFWUVLDBLS-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145255;MM145255;CC=C(C)COC(C)C;WJRKJGAIDFCURE-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145256;MM145256;CC(=CF)COC(C)C;IOMRZVYDLDGSBC-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145257;MM145257;CC(COC(C)C)=NN;IMXOMGGMEAMXPV-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145258;MM145258;CC(COC(C)C)=NO;VAFSTZKQIQHDQS-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145259;MM145259;CN=C(C)NCC(C)C;USAPADGHRUZFNK-UHFFFAOYSA-N;128.22;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145260;MM145260;CC(=NCC(C)C)NN;IFWUTQQHCRBSTN-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145261;MM145261;CC(=NCC(C)O)NN;UQIMVRKCRIITOT-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145262;MM145262;CC(=NCC(C)F)NN;OPJMCBHSWSLXRG-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145263;MM145263;CN=C(C)NCC(F)F;WTKVMXVZQROHGV-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145264;MM145264;C=C(N=CNO)C(=O)NN;BTJJISFYHRJDJX-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145265;MM145265;CC=C(C)OCC(C)C;KERRVYJXTWDLNU-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145266;MM145266;CC=C(C)OCC(C)N;OSXLNKNWUBSXJG-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145267;MM145267;CC=C(C)OCC(C)O;NLPCMWQGBPZJDB-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145268;MM145268;CC(=CF)OCC(C)O;AZTSNSNKSQJSBZ-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145269;MM145269;CC=C(C)OCC(C)F;FBTZBPBQLAMNBX-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145270;MM145270;CC=C(C)OCC(F)F;YSCGPSHEAMJRIX-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145271;MM145271;CNN=CC(F)C(O)C=O;MBQATASRVPPJRJ-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145272;MM145272;CC(=NO)OCC(C)C;VBJOEZSTOMOUSX-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145273;MM145273;CC(=NO)OCC(C)N;IIKBDNHEKSTVMO-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145274;MM145274;C=NNCC1CC1(O)C#N;PRAFGOMZBCUFOW-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145275;MM145275;CC(=NO)OCC(C)O;AVYZVEZFGWUCLQ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145276;MM145276;C=CNC(=NO)N(O)CC;VSSTUSVKCDPIPY-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145277;MM145277;CC(=NO)OCC(C)F;GYYXRDJTLVFRCI-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145278;MM145278;CC=C(C)CCN(C)C;ANOAYZNVFVSSGQ-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145279;MM145279;CC(=CF)CCN(C)C;UZYZKMFJDDNQTC-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145280;MM145280;CC=C(F)CCN(C)C;ATPBIQNPDJVCTF-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145281;MM145281;CN(C)CCC(F)=CF;AVHMLYIOSLKWRL-UHFFFAOYSA-N;135.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145282;MM145282;C=C(C)CCC(C)=CC;JQCSGZDRPKVVDN-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145283;MM145283;C=C(C)CCC(C)=CF;QRHPYTVBSZNSJK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145284;MM145284;CC=C(C)CCC(C)=O;UBAUYTYZPNZXIM-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145285;MM145285;CC(=O)CCC(C)=CF;ISLFDAZTCYTOQE-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145286;MM145286;CC=C(C)CCC(=N)N;XSAMRTGBLOUSEF-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145287;MM145287;O=CNC(=NO)NCCO;LZHCMMCFITWABE-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145288;MM145288;CC=C(C)CCC(=O)O;HZAAQSZZIYJZKF-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145289;MM145289;CC(=CF)CCC(=O)O;KMNJOJYCHZRUOP-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145290;MM145290;C=C(F)CCC(C)=CC;BNJAYBIDLIZWPU-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145291;MM145291;C=C(F)CCC(C)=CF;DBPBDULPEGIQKZ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145292;MM145292;C=C(C)CCC(F)=CC;KDJNLZTVOHLYFV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145293;MM145293;C=C(C)CCC(F)=CF;ZBLSVKBVAVKMRW-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145294;MM145294;CC=C(F)CCC(C)=O;OYPCTMOIEZHEPX-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145295;MM145295;CC(=O)CCC(F)=CF;VUEPBXJCPIKYSQ-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145296;MM145296;CC=C(F)CCC(=N)N;ZKIQNTGFPBQKFN-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145297;MM145297;CC=C(F)CCC(N)=O;BMHDBRYYRRDDKH-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145298;MM145298;CC=C(F)CCC(=O)O;MKAVSRFZIRWHRY-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145299;MM145299;O=C(O)CCC(F)=CF;FRYXMZKJDYXSCL-UHFFFAOYSA-N;136.1;1.63;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145300;MM145300;C=C(F)CCC(F)=CC;RSRCUSRCFMYNQC-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145301;MM145301;C=C(F)CCC(F)=CF;AJPKGYCGDNQWIW-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145302;MM145302;C=C(C)CCC(C)=NN;OVPDIFQSVPCVFR-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145303;MM145303;C=C(C)CCC(C)=NO;IKBLRWXMOJKNAT-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145304;MM145304;CC(CCC(=N)N)=NN;SKPBZVYNDWHICF-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145305;MM145305;CC(CCC(=N)N)=NO;HFKIYNXTLXLMKJ-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145306;MM145306;CC(CCC(N)=O)=NO;JAVVMJCVAOCJCS-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145307;MM145307;C=C(F)CCC(C)=NN;BHNHMAUGEVODSB-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145308;MM145308;C=C(F)CCC(C)=NO;ANILNCKBGPPFHN-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145309;MM145309;CC=C(C)CNC(C)=N;INVHXOPLWZNRCS-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145310;MM145310;CC(=N)NCC(C)=CF;SAQMBHOJRQWYEF-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145311;MM145311;CC=C(F)CNC(C)=N;WUODGLLDMKOAIZ-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145312;MM145312;CC(=N)NCC(F)=CF;KLHQPYVQRBJYOM-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145313;MM145313;CC=C(F)CNC(N)=O;QKTUEMZFVMEQOC-UHFFFAOYSA-N;132.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145314;MM145314;CC(=N)NCC(C)=NN;OBWQURFLNLWASM-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145315;MM145315;CC(=N)NCC(C)=NO;CLYQOUSZDMRVCR-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145316;MM145316;N#CC=NN(C=N)CC=O;CDKYVODMCKTWKX-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145317;MM145317;CC(CNC(=N)N)=NN;VALAQNNAYJPIOB-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145318;MM145318;CC(CNC(=N)N)=NO;WZSLBAHVSZMLMS-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145319;MM145319;CC(CNC(N)=O)=NO;OZFJTVRDIGDAQX-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145320;MM145320;C=C(C)OCC(C)=CC;HVCYXUQAAYNYPI-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145321;MM145321;CC=C(C)COC(C)=O;LYFIKZOWBKYNSE-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145322;MM145322;CC(=O)OCC(C)=CF;MRJBQDXLWCOOQE-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145323;MM145323;CC=C(C)COC(=N)N;UCKDYEWKZWXSNE-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145324;MM145324;CC(=CF)COC(=N)N;VQAVFGKOSXPAOL-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145325;MM145325;C=C(C)OCC(F)=CC;LESZZBAKLANDNU-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145326;MM145326;CC=C(F)COC(C)=O;VRWFRUXXOLGUFZ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145327;MM145327;CC(=O)OCC(F)=CF;FUEYJBPYFABEJF-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145328;MM145328;CC=C(F)COC(N)=O;BYHWJBWYUJSKBH-UHFFFAOYSA-N;133.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145329;MM145329;NC(=O)OCC(F)=CF;IGAOKSKOXXAVJM-UHFFFAOYSA-N;137.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145330;MM145330;C=C(C)OCC(C)=NN;VCYFGMAPOFQMIV-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145331;MM145331;C=C(C)OCC(C)=NO;DWOPSEQQKJNPRP-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145332;MM145332;CC(COC(=N)N)=NN;GKKRSJVDUDZVIW-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145333;MM145333;C=C(C)CNC(C)=NC;QKHGAKZZMXLUFE-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145334;MM145334;C=C(C)CN=C(C)NO;KHKXNNISJDIWFD-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145335;MM145335;CN=C(C)NCC(=N)N;SHKGRUDLOLNADL-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145336;MM145336;CC(=NN)NCC(=N)N;GGQNXMWRBWCTKH-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145337;MM145337;CC(=NO)NCC(=N)N;UHIYYJWVOXKNTE-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145338;MM145338;CN=C(C)NCC(N)=O;BWMFBNCCMHZDBX-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145339;MM145339;CCC(=NO)NCCOC;LUJLLZCLNUYWCP-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145340;MM145340;C=c1oc(=CF)c(=O)n1O;KQUCBKYUNGJCGD-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145341;MM145341;C=C(F)CNC(C)=NN;UXJMBTSPZGSJPX-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145342;MM145342;C=CC(C=CC=CC)=NO;BTLVXKVCOAJHQC-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145343;MM145343;CC(=N)NNC(C)=NN;ACNGHSVHMKMXHX-UHFFFAOYSA-N;129.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145344;MM145344;CN=C(C)NNC(=N)N;KYDWHYNUPXEFOJ-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145345;MM145345;CC(=NNC(=N)N)NN;IQXCEEWHLHHCIT-UHFFFAOYSA-N;130.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145346;MM145346;CC(=NO)NNC(=N)N;KAQQXGLACJRZQG-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145347;MM145347;CN=C(C)NNC(N)=O;MNSZRTPBRGYHNR-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145348;MM145348;C=CNC1=NC(=NC)CO1;BTNSPBCPNAJJHW-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145349;MM145349;CC(=NO)NNC(N)=O;DFWRTHDTAKXISJ-UHFFFAOYSA-N;132.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145350;MM145350;N#CC1(O)CC1CN1CC1;IZJZSKIEAZJWSM-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145351;MM145351;CN=C(C)NOC(=N)N;YWRSSIVFZYYACP-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145352;MM145352;N#CC(O)CN1CC1;QIPVFMMINVSZGT-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145353;MM145353;C=C(C)COC(C)=CC;FGCDHGGGRRZXOL-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145354;MM145354;C=C(C)COC(C)=CF;ALSRUZHJGVZKHY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145355;MM145355;CC=C(C)OCC(=N)N;CUZYIBXMIXTACS-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145356;MM145356;CC(=CF)OCC(=N)N;YMHCFROARMOTSO-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145357;MM145357;CC(=CF)OCC(N)=O;QLYVYCQELRMVFC-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145358;MM145358;C=C(F)COC(C)=CC;YEICFENTWWPOCM-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145359;MM145359;C=C(F)COC(C)=CF;HGAYNTUSYPULIE-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145360;MM145360;C=C(C)COC(C)=NO;XEXVPDWGJIDEFF-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145361;MM145361;CC(=NN)OCC(=N)N;ICOOCUZXGYJBIP-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145362;MM145362;CC(=NO)OCC(=N)N;BZMSQCWFWUPXCL-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145363;MM145363;CC(F)=CNC(=O)NN;BXEXIKSQQCYNSH-UHFFFAOYSA-N;133.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145364;MM145364;CC(=NO)OCC(N)=O;RQFKSAFLMSMGQV-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145365;MM145365;CN(C=NO)CCCO;YYYXBIUKDPXGQU-UHFFFAOYSA-N;132.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145366;MM145366;C=C(F)COC(C)=NO;KGJVAJDJLJBQOJ-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145367;MM145367;CC(=N)NOC(C)=NN;YODLPPWGPXRTES-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145368;MM145368;CC(=NN)ONC(=N)N;PSVMGHXAIWJQOF-UHFFFAOYSA-N;131.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145369;MM145369;CC(=NN)ONC(N)=O;OAZMSNKRRSZUIE-UHFFFAOYSA-N;132.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145370;MM145370;CCC(C)C=CC(C)C;QLXJZAAQCXFIDS-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145371;MM145371;CC(C)C=CC(C)CN;CPUUSYSDHVBZHH-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145372;MM145372;NNC(=O)N(N)CCF;BONOQLYYONURJJ-UHFFFAOYSA-N;136.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145373;MM145373;CC(C)C=CC(C)CF;KIHFNZKTCXAQMC-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145374;MM145374;CCC(C)C=CC(C)N;CMXHJMTWNHOHHO-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145375;MM145375;CC(N)C=CC(C)CF;QIEZYEVNWFHEJU-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145376;MM145376;CN(C=CF)C(=O)NN;NUHNWJFOILXFBV-UHFFFAOYSA-N;133.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145377;MM145377;Cc1nc(N)c(O)n1N;BNJUUYIQIOYIMV-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145378;MM145378;N=CN1CC(O)C(=O)O1;BFNRKKVABKVFKY-UHFFFAOYSA-N;130.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145379;MM145379;CCC(C)C=CC(C)F;QQKOLVLWDXLCPQ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145380;MM145380;CC(F)C=CC(C)CN;FKXIUYJVFQXXJK-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145381;MM145381;C#CC1=CC(F)C(=N)N1;QUFVEGCMECWRDP-UHFFFAOYSA-N;124.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145382;MM145382;CC(F)C=CC(C)CF;XBOMCAUKXSSTBY-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145383;MM145383;CCC(C)C=CC(F)F;BAXJYDQWSMQHQF-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145384;MM145384;C=CC(NC)C(=O)C#N;OVMCNEBBOWMWGD-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145385;MM145385;CC(C=CC(F)F)CF;UEZAPWUKOXNQEW-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145386;MM145386;CCC(N)C=CC(C)C;MORPVMRYCBVUIY-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145387;MM145387;CC(C)C=CC(N)CF;LZHNUJXAJSDCHM-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145388;MM145388;CC(N)C=CC(N)CN;GEQBDSFISWKHHE-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145389;MM145389;CC(N)C=CC(N)CO;QJMZZLOPVRADRC-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145390;MM145390;CCC(N)C=CC(C)O;BFOYGIXKBARHGQ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145391;MM145391;CC(O)C=CC(N)CN;PKKAQRWKYAHWRI-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145392;MM145392;CCC(N)C=CC(C)F;MBBLSSWFGIYZDT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145393;MM145393;CC(F)C=CC(N)CO;UXIGSHCYJFKIAY-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145394;MM145394;NC(C=CC(F)F)CO;HJIJPKPHSCLWMV-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145395;MM145395;NC(C=CC(F)F)CF;XMLKKDBXMVDTJI-UHFFFAOYSA-N;139.12;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145396;MM145396;NC=C(CF)C(=O)NN;ZKLIIEWXZWAUHN-UHFFFAOYSA-N;133.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145397;MM145397;CC(C)C=CC(O)CN;AFTMAVMENHXCLD-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145398;MM145398;CC(C)C=CC(O)CO;SYXCCNUCRCFYJK-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145399;MM145399;CC(C)C=CC(O)CF;YUIMZWAHMLOBBN-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145400;MM145400;CCC(O)C=CC(C)N;WRAQXQCDEKLOPS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145401;MM145401;CC(N)C=CC(O)CN;YSSZJKTWVWJRFZ-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145402;MM145402;CC(N)C=CC(O)CO;MKGJUCYFFDCSPH-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145403;MM145403;CC(N)C=CC(O)CF;QGUPEWZTGRQQNK-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145404;MM145404;CCC(O)C=CC(C)O;RPBPQOXNRBZRIJ-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145405;MM145405;CCC(O)C=CC(C)F;NORVSXIGLGYZGH-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145406;MM145406;CC(F)C=CC(O)CO;UHXFHLOUQHHUGS-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145407;MM145407;CC(F)C=CC(O)CF;HNBJKIIILBHGDS-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145408;MM145408;CCC(O)C=CC(F)F;AGJHRRQXJBHJHF-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145409;MM145409;OCC(O)C=CC(F)F;AOQNSYBMLTWGQK-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145410;MM145410;CCC(F)C=CC(C)C;CYUPDEWFESSABP-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145411;MM145411;CC(C)C=CC(F)CO;DAFNGCABOUWGIV-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145412;MM145412;CC(N)C=CC(F)CO;KDIDIHRPVRGXIV-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145413;MM145413;CC(O)C=CC(F)CN;HTCUBBQSKDDCNG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145414;MM145414;CC(O)C=CC(F)CO;YMOCJPXDKPTTNZ-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145415;MM145415;CC(O)C=CC(F)CF;WOZWCHHNRGGLLY-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145416;MM145416;CC(F)C=CC(F)CO;FQULGMPOCGAIJE-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145417;MM145417;CNC(C)C=CC(C)C;VTHFVEMJWOSFSO-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145418;MM145418;CNC(C)C=CC(C)F;PIEYHFUHPKYLKO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145419;MM145419;CNC(C)C=CC(F)F;RNOAPDWZWATLEF-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145420;MM145420;COC(C)C=CC(C)C;POBXPYGJHLILCM-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145421;MM145421;COC(C)C=CC(C)F;MXJPKOOKNOCAHR-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145422;MM145422;COC(C)C=CC(F)F;CRCXDLUDMYFBOB-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145423;MM145423;CCC(C)C=NN(C)C;VTEWHPDXVYRSDX-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145424;MM145424;CC(C=NN(C)C)CN;KFFVCSLVDVSMSQ-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145425;MM145425;NNC(=O)C1CN1C=O;BFGVQFQOIZNONU-UHFFFAOYSA-N;129.12;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145426;MM145426;CN(C)N=CC(N)CN;XYCIVGRBLZBQAW-UHFFFAOYSA-N;130.2;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145427;MM145427;CN(C)N=CC(O)CN;SFYIZSQTLZIMCW-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145428;MM145428;C=CCN(C)CC(O)C#N;HDQSQYXZGWWIGQ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145429;MM145429;CCC(F)C=NN(C)C;QVBPBLWZGXYIDM-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145430;MM145430;CN(C)N=CC(F)CN;AMRVXDGWFWHGKP-UHFFFAOYSA-N;133.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145431;MM145431;CC(CN)N=CN(C)C;MKDIZTPZLSAZMO-UHFFFAOYSA-N;129.21;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145432;MM145432;CC(CF)N=CN(C)C;NJZPGIYLQZNMSH-UHFFFAOYSA-N;132.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145433;MM145433;CCC(C)N=CN(C)N;XBULZKXLAVDUAC-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145434;MM145434;CCN(N)C=NC(C)C;PGUZEJZGLAUSEC-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145435;MM145435;CCN(C)N=CC(C)C;DAXYADHYFFTRHO-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145436;MM145436;CN(NC(N)=O)C(=N)C=O;KNGDFOMCYNMPTI-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145437;MM145437;C=CC(C)C=CC(C)C;UKRHRPBTUBJTAA-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145438;MM145438;CC(C)C=CC(C)C=O;OJPLSISICRHEBE-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145439;MM145439;CC(C)C=CC(C)C#N;OVIMTDKUNWHQTF-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145440;MM145440;C=CC(C)C=CC(C)N;RFFDFKSTCKYRSB-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145441;MM145441;CNC(=NO)N(N)C(C)=O;QKEDGITVSPAVLX-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145442;MM145442;CC(O)C=CC(C)C#N;RAVFYRSQNGLQHS-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145443;MM145443;C=CC(C)C=CC(C)F;AYNDFWFOFYLLAJ-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145444;MM145444;CC(F)C=CC(C)C=O;VFWQCFVLWXBKPS-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145445;MM145445;CC(F)C=CC(C)C#N;GRSPHCJFLSLZQF-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145446;MM145446;C=CC(C)C=CC(F)F;WHLFHYGUXHKFKO-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145447;MM145447;CC(C#N)C=CC(F)F;RYQZHBFKBFRJGL-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145448;MM145448;C=CC(N)C=CC(C)C;KDMMYDNWLSKEHR-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145449;MM145449;C=CC(N)C=CC(C)F;RACICCFCQSMCKK-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145450;MM145450;C=CC(N)C=CC(F)F;DCNDPHBUTJUNBZ-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145451;MM145451;C=CC(O)C=CC(C)C;VHUWANCGGKQVNR-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145452;MM145452;CC(C)C=CC(O)C#N;ICGJLLIIDCNCPQ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145453;MM145453;CC(O)C=CC(O)C#N;VBGDKQGNHODHGX-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145454;MM145454;C=CC(O)C=CC(C)F;USBSRQYCYCXYMN-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145455;MM145455;C=CC(O)C=CC(F)F;LSIZOFOUFJKXNI-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145456;MM145456;N#CC(O)C=CC(F)F;HFOBBWKLFSGIAS-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145457;MM145457;C=CC(F)C=CC(C)C;RCLUHCOEFYOHSK-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145458;MM145458;CC(C)C=CC(F)C=O;VONHMIDSBVACIX-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145459;MM145459;CC(C)C=CC(F)C#N;XINGIFRTPFCUCI-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145460;MM145460;C=CC(F)C=CC(C)N;HCFNUBLRXHYPOX-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145461;MM145461;CC(O)C=CC(F)C=O;AQLURJCEPYJJEU-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145462;MM145462;C=CC(F)C=CC(C)F;SSJMIIJSJUYJJY-UHFFFAOYSA-N;132.15;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145463;MM145463;CC(F)C=CC(F)C=O;FABWGQIHQMUTOI-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145464;MM145464;CC(F)C=CC(F)C#N;PWKWYUXKILHUIF-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145465;MM145465;CN(C)C(=O)C(O)C=NN;YIOWZYRCKXKDEV-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145466;MM145466;CC#CC1=CC(F)C(=N)N1;PXBSAQYCJRGYQR-UHFFFAOYSA-N;138.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145467;MM145467;C=CC(F)C=NN(C)C;XGKSLMHUZNRHCX-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145468;MM145468;C=CC(C)N=CN(C)C;NAVOCTQZYUVUBP-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145469;MM145469;CC(C=O)N=CN(C)C;SLYXVJCPNGSWBK-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145470;MM145470;CC(C#N)N=CN(C)C;XCKXZTZFLAWVNU-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145471;MM145471;C=CC(C)N=CN(C)N;NAJPZSFBLCSWMG-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145472;MM145472;C=CC1(F)CC1C(=O)NN;JHUYUSBLIPIHGY-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145473;MM145473;CC(C)C=CN(C)C=N;CMQWFQUKJSFKOT-UHFFFAOYSA-N;126.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145474;MM145474;CC(C)C=CN(C)C=O;QFFKPPVZKGTKPV-UHFFFAOYSA-N;127.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145475;MM145475;CC(N)C=CN(C)C=N;INTWWTFGPKDTTI-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145476;MM145476;CC(O)C=CN(C)C=N;LVXAGBQPYQLAKU-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145477;MM145477;CC(F)C=CN(C)C=N;UALPFRUETFMIBP-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145478;MM145478;CN(C=O)C=CC(F)F;GHLOLXPLSALWEL-UHFFFAOYSA-N;135.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145479;MM145479;CC(C)C=CN(N)C=N;SIWCHAKREPORDY-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145480;MM145480;CC(C)C=CN(N)C=O;GXVPDHZLIBUMLF-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145481;MM145481;CC(O)C=CN(N)C=N;XKGNOKXGZUWJQH-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145482;MM145482;C#CC(O)(CO)CN1CC1;CJLGQXKIYDIUOD-UHFFFAOYSA-N;141.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145483;MM145483;CC(F)C=CN(N)C=O;ZNKKMQDBUYELIP-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145484;MM145484;CC(C)C=CN(O)C=N;OFWNZLCVZBWYSY-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145485;MM145485;CC(N)C=CN(O)C=N;LIRIDXJJXHJCCI-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145486;MM145486;CC(N)C=CN(O)C=O;NMPMPZWVDWSVNZ-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145487;MM145487;CC(O)C=CN(O)C=O;GTMQOGQYCJSUKR-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145488;MM145488;C=CN(C)C=NC(C)C;PUKYTRJHNPWMGJ-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145489;MM145489;C=CN(N)C=NC(C)C;WFBYSIJMHXGQBA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145490;MM145490;C=NN(C)C=NC(C)C;PWSFMJPHMXAXBN-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145491;MM145491;CC(C)C=NN(C)C=N;MYSMDJZEHMPSIK-UHFFFAOYSA-N;127.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145492;MM145492;CC(C)C=NN(C)C=O;FDWOOGPITSCIOH-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145493;MM145493;CC(N)C=NN(C)C=O;QTOIJLSMHJUOMH-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145494;MM145494;C=NN(C)C(=O)NNCC;SKTBHAHPKZUOGM-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145495;MM145495;CON=CNCC(O)C#N;WTLKPPRSYBKKLW-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145496;MM145496;CN(C=N)C=NN(C)C;BHLQIFJDMPXLFG-UHFFFAOYSA-N;128.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145497;MM145497;C#CC1(O)C(C)C1ON=C;MKECBGCNIQBGNQ-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145498;MM145498;C#CC(O)C(=NNC)NO;KAYQOMLZFBETNH-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145499;MM145499;C#CC(C)C=CC(C)C;OHGMAWRYRXASJR-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145500;MM145500;C#CC(C)C=CC(C)N;XPQFMLWKGWQMKO-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145501;MM145501;C#CC(C)C=CC(C)F;DVWPPUMSQGUJFZ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145502;MM145502;C#CC(C)C=CC(F)F;SQEWPKOQQRXVEJ-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145503;MM145503;C#CC(N)C=CC(C)C;LTBZFGFQQPZDPP-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145504;MM145504;C#CC(N)C=CC(C)F;CJYMAOJYHGRWFF-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145505;MM145505;C#CC(N)C=CC(F)F;XQJFTENWOIKOHE-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145506;MM145506;C#CC(O)C=CC(C)C;VGJYAEOYNKALTA-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145507;MM145507;C#CC(O)C=CC(C)N;JBVXDVSEHIYZJB-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145508;MM145508;C#CC(O)C=CC(C)F;SJUNPPJAAPHUJK-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145509;MM145509;C#CC(O)C=CC(F)F;OYQBABXXJMNVFW-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145510;MM145510;C#CC(F)C=CC(C)C;BWDRUVBMMSSANX-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145511;MM145511;C#CC(C)C=NN(C)C;MIFDMEPBOLJGDM-UHFFFAOYSA-N;124.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145512;MM145512;C#CC(F)C=NN(C)C;OSJZBOGGPJXHTC-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145513;MM145513;C#CC(C)N=CN(C)C;XHIFNOWPMQTZBJ-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145514;MM145514;C=C(C)C=CC(C)CC;DPXLVIVLWOCHFE-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145515;MM145515;C=C(C)C=CC(C)CN;TXODBHCVYOPZJK-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145516;MM145516;COC(=CCO)C(=O)NN;FIGAIQSHGLQFDJ-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145517;MM145517;C=C(C)C=CC(C)CF;QINPZKBSOCOSQL-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145518;MM145518;CCC(C)C=CC(C)=O;QDUQNQQMHZNNTG-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145519;MM145519;CC(=O)C=CC(C)CF;CQEMVYGSPCCOEE-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145520;MM145520;CCC(C)C=CC(=N)N;CAPYDJVXMVSJMI-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145521;MM145521;CC(C=CC(=N)N)CO;ZVLHXKDLXAFMEK-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145522;MM145522;C#CCC(C=C)NC=NO;SZSWTARHYSCGFE-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145523;MM145523;CC(C=CC(N)=O)CN;FRJUCHSFWKJKMP-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145524;MM145524;CC=NNC(=NO)NNC;FHHJSRMNBJRCKS-UHFFFAOYSA-N;145.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145525;MM145525;N#CC=NN(C=N)CCO;RGWQYKLHIHEJJJ-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145526;MM145526;CCC(C)C=CC(=O)O;QDYRHGGXBLRFHS-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145527;MM145527;CC(C=CC(=O)O)CF;ARALEEPHNGCSRA-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145528;MM145528;C=C(F)C=CC(C)CC;XFEOOVTVAKIJBD-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145529;MM145529;C=C(F)C=CC(C)CN;ONVZCAIOCFPIPR-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145530;MM145530;N#CC=NN(C=N)CCF;BGOORDMTIPFHQY-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145531;MM145531;C=C(F)C=CC(C)CF;YJBSJTAYXPCIPR-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145532;MM145532;C=C(C)C=CC(N)CC;PRYCNFJSNRCBAF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145533;MM145533;C=C(C)C=CC(N)CF;ANALHKJHMDEERU-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145534;MM145534;CCC(N)C=CC(=N)N;XGURBIIJZPBZIB-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145535;MM145535;N=C(N)C=CC(N)CN;QXOJIKMKSRZLMV-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145536;MM145536;N=C(N)C=CC(N)CO;FJWCHJURWVRYAI-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145537;MM145537;N=C(N)C=CC(N)CF;PTKVVEVPXDUTEX-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145538;MM145538;NCC(N)C=CC(N)=O;FBRSWBYTOYYDML-UHFFFAOYSA-N;129.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145539;MM145539;NC(=O)C=CC(N)CO;KPOKHNMSVUZMOX-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145540;MM145540;C=C(F)C=CC(N)CC;CNLYNVCASJPZFW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145541;MM145541;C=C(F)C=CC(N)CN;MSABKVCVXLTARM-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145542;MM145542;C=C(F)C=CC(N)CO;KOOJWDHBKLUBSR-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145543;MM145543;C=C(F)C=CC(N)CF;UCNILRCFHKZPFU-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145544;MM145544;CNN(C)C(=NO)N(C)O;BJOLNGRTKUUYQO-UHFFFAOYSA-N;148.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145545;MM145545;C=C(C)C=CC(O)CO;ICQORGBCNMUBGX-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145546;MM145546;C=C(C)C=CC(O)CF;OXDMRQQUBJXJKP-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145547;MM145547;CC(=O)C=CC(O)CF;BMIINWCFHWVHPI-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145548;MM145548;CCC(O)C=CC(=N)N;DRTKFONQZDVBPJ-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145549;MM145549;N=C(N)C=CC(O)CN;KOTSUBCPHBRMLC-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145550;MM145550;N=C(N)C=CC(O)CO;QXJVATWGQAGORK-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145551;MM145551;NCC(O)C=CC(N)=O;RZHHHFIKRPQWFX-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145552;MM145552;NC(=O)C=CC(O)CO;DLCDSTDYZBMECY-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145553;MM145553;CNc1n[nH]c(=O)c(=O)[nH]1;JWLGAUGURMVBBB-UHFFFAOYSA-N;142.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145554;MM145554;C=C(F)C=CC(O)CC;HROHONBTTMXBPZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145555;MM145555;C=C(F)C=CC(O)CN;OXLMLWWCUTXMBZ-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145556;MM145556;C=C(F)C=CC(O)CF;RIXBPPVNUNIPCD-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145557;MM145557;C=C(C)C=CC(F)CC;FOSVBUYGBGXPQZ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145558;MM145558;C=C(C)C=CC(F)CN;WOLSARWOEWOMCB-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145559;MM145559;C=C(C)C=CC(F)CO;KIPWBNROZFYIIB-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145560;MM145560;CCC(F)C=CC(C)=O;KHAONHFNBYMQDG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145561;MM145561;CC(=O)C=CC(F)CF;IGYMGWPVXCYTRJ-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145562;MM145562;N=C(N)C=CC(F)CN;CYDPGNDATYFRNX-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145563;MM145563;N=C(N)C=CC(F)CF;JEHJUVSVHIYDEI-UHFFFAOYSA-N;134.13;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145564;MM145564;NC(=O)C=CC(F)CO;NNJPDVFVIHKLNA-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145565;MM145565;N#CC12CC1C(=O)NO2;FDOJLYPVMZEXSW-UHFFFAOYSA-N;124.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145566;MM145566;C=C(F)C=CC(F)CO;YPMIJXQYDZCTJF-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145567;MM145567;C=C(F)C=CC(C)NC;RWGBRZDNDLLMNB-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145568;MM145568;C=C(C)C=CC(C)OC;GNHPFGCEFQUVCD-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145569;MM145569;COC(C)C=CC(C)=O;PBHTXYBFUVMTDS-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145570;MM145570;C=C(F)C=CC(C)OC;AJCYGGVKTZEBIH-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145571;MM145571;CCN(C)C=CC(=N)N;BNSFZUNSVUNAMQ-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145572;MM145572;C#CC(O)C(=NN)N(C)O;HZWHJMSGCKRHNP-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145573;MM145573;CCN(C)C=NC(C)=N;DGQIZABTVUCJEK-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145574;MM145574;CCN(N)C=NC(=N)N;GEJKGZKGICWSDX-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145575;MM145575;CNC(=NO)N(C=O)NC;ANDLCYZMBSZSAZ-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145576;MM145576;CCC(=NO)NCCCO;GRKADUHBPPHUTG-UHFFFAOYSA-N;146.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145577;MM145577;CCN(O)C=NC(N)=O;QWUBWTVESIPLBC-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145578;MM145578;CNN(C)C=NC(=N)N;IICKXDRQIZBGOR-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145579;MM145579;CON(C)C=NC(C)=O;NAGRDWDLOFTHIE-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145580;MM145580;CON(C)C=NC(=N)N;AQAHSDCHGNEPEI-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145581;MM145581;CON(C)C=NC(N)=O;DGCURXIFPVNULD-UHFFFAOYSA-N;131.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145582;MM145582;C=C(C)C=NN(C)CC;CRHAFNGGWNAWFA-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145583;MM145583;CCN(C)N=CC(=N)N;HCCWIFMWCXHZBL-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145584;MM145584;Cn1ncc(=N)n(O)c1=O;IKEAOFPQGTWQCK-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145585;MM145585;C=C(F)C=NN(C)CC;UXMFMAOSGGXGGY-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145586;MM145586;C=CC(C)C=CC(=C)C;ILNXYJDADNWCKK-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145587;MM145587;C=C(C)C=CC(C)C=O;MMZSJAZPGKYHHS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145588;MM145588;C=C(C)C=CC(C)C#N;PPSNVZKGTAYLRA-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145589;MM145589;C=CC(C)C=CC(C)=O;PKTUUBMVHMWODP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145590;MM145590;CC(=O)C=CC(C)C=O;BVBWLFWGJPOAOM-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145591;MM145591;CC(C=O)C=CC(=N)N;XJWUPVBURDFKNE-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145592;MM145592;C#CCN(C)C(=NO)NO;WNBBDZSFMLOLTB-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145593;MM145593;C=CC(C)C=CC(=O)O;NKBUDOYSBWJHKO-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145594;MM145594;CC(C#N)C=CC(=O)O;ZAIMKZDRMCUFDL-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145595;MM145595;C=CC(C)C=CC(=C)F;PLEBNQZWEUUQIG-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145596;MM145596;C=C(F)C=CC(C)C=O;GYYYJPXPCVLVGK-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145597;MM145597;C=C(F)C=CC(C)C#N;HTGIFYIYHHOMLU-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145598;MM145598;C=CC(N)C=CC(=C)C;RMHAOWGFVQFLAN-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145599;MM145599;C=CC(N)C=CC(=N)N;WGWMBCFOAPUEKW-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145600;MM145600;C=CC(N)C=CC(N)=O;RMYTZEKLEIGJSP-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145601;MM145601;C=CC(N)C=CC(=C)F;MQSMJNLWAQFMQN-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145602;MM145602;C=CC(O)C=CC(=C)C;IZKCCZDQFMBDAQ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145603;MM145603;C=C(C)C=CC(O)C#N;DTWLPPMSBBPFMM-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145604;MM145604;CC(=O)C=CC(O)C=O;AEWAJJBQFQHEAB-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145605;MM145605;N=C(N)C=CC(O)C=O;JLLJPVFKHCGYBS-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145606;MM145606;N#CC(O)C=CC(=N)N;YSOKMDPRBHUKNU-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145607;MM145607;NC(=O)C=CC(O)C=O;FCBJYRWOVIAXFN-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145608;MM145608;N#CC(O)C=CC(N)=O;AWVRRRBSIIRQQP-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145609;MM145609;C=CC(O)C=CC(=C)F;IFCRYJNPJZWSDM-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145610;MM145610;C=C(F)C=CC(O)C#N;CEFSAAHNTYEEBT-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145611;MM145611;C=CC(F)C=CC(=C)C;PBINVCUIDAOCAS-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145612;MM145612;C=C(C)C=CC(F)C=O;POMSWQMDZOWWON-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145613;MM145613;C=C(C)C=CC(F)C#N;CKPUUVJYRACWRC-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145614;MM145614;C=CC(F)C=CC(C)=O;SGEJBFHLQININX-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145615;MM145615;C=CC(F)C=CC(=N)N;IBHRIXHOTBVGHH-UHFFFAOYSA-N;128.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145616;MM145616;C=CC(F)C=CC(=O)O;JROCTFNXDYYWLB-UHFFFAOYSA-N;130.12;1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145617;MM145617;C=CC(F)C=CC(=C)F;HIYDMWBRFKDBPV-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145618;MM145618;C=C(F)C=CC(F)C=O;LLXDCRCDGIWHHL-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145619;MM145619;C=C(C)C=CN(C)C=N;XZHBBJZHIURYJZ-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145620;MM145620;C=C(C)C=CN(C)C=O;XJVZPYBNMLEORV-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145621;MM145621;CN(C=N)C=CC(=N)N;UVOFQEHMZMTJHQ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145622;MM145622;CN(C=O)C=CC(=N)N;WJECKKPYVNASSX-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145623;MM145623;CN(C=N)C=CC(N)=O;PBQIOJGNQMTIKA-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145624;MM145624;CNC(=NO)N(N)C=CF;WSMLWLOGVMJAPQ-UHFFFAOYSA-N;148.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145625;MM145625;C=C(F)C=CN(C)C=N;MGZBQSOOMPCTAC-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145626;MM145626;C=C(F)C=CN(C)C=O;DDAGOXIIDQXELH-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145627;MM145627;C=C(C)C=CN(N)C=N;NYTKBPREYPZPAH-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145628;MM145628;C=C(C)C=CN(N)C=O;MGSFTLLTPAOJND-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145629;MM145629;N#CCC#CC(F)C1CN1;OJXMGYLSEXATFV-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145630;MM145630;C=C(C)C=CN(O)C=N;DNGAHKDJJXJEOX-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145631;MM145631;C=C(C)C=CN(O)C=O;DWXFASZVABOOEH-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145632;MM145632;N=CN(O)C=CC(=N)N;KOEGBADOMAXREQ-UHFFFAOYSA-N;128.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145633;MM145633;C=NN(C)C=CC(=N)N;HPOPZWBAFFGWOU-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145634;MM145634;FCc1ncc[nH]1;QMPSTEFUXBUTBT-UHFFFAOYSA-N;100.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145635;MM145635;CC(=N)N=CN(C)C=O;NDSOEGKTPGCQKX-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145636;MM145636;CC(=O)N=CN(C)C=O;LEAUBUOZBBPWCK-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145637;MM145637;C=CN(C)C=NC(=N)N;YUJZRMMSOMTHEP-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145638;MM145638;CN(C=O)C=NC(=N)N;LNTHKAGZDQMCQK-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145639;MM145639;CN(C=O)C=NC(N)=O;BEBYWNYJFMCZET-UHFFFAOYSA-N;129.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145640;MM145640;CC(=N)N=CN(N)C=O;DJFKKNSQDYWZCW-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145641;MM145641;CC(=NO)N1CC1;PGCUGUOKMFSYSI-UHFFFAOYSA-N;100.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145642;MM145642;N=CN(N)C=NC(=N)N;AIFJEQZQYTYSQD-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145643;MM145643;N=C(N)N=CN(N)C=O;SBLAQPXZAZECFG-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145644;MM145644;N#CC(=N)NNC=O;BBEPSPOYBOKZOB-UHFFFAOYSA-N;112.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145645;MM145645;CC1C(C)N1C=NO;DIPGGLXOVJZENX-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145646;MM145646;CC1OC1C(=O)NN;RGMFNDCFMCLFIG-UHFFFAOYSA-N;116.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145647;MM145647;N#CC(O)CNCCF;XRCLEMRAVRGOKY-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145648;MM145648;C=CN(O)C=NC(=N)N;WBCFFGYPDROOBM-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145649;MM145649;N=CN(O)C=NC(=N)N;NGEGFVDNXUKRCM-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145650;MM145650;C=CN(O)C=NC(N)=O;XKLVJQKTKLWDCC-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145651;MM145651;N#CCNCC(O)C#N;DOAUMQILXRKTRX-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145652;MM145652;C=NN(C)C=NC(C)=N;XEZRMOUHBHTTLH-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145653;MM145653;C#CCNCC(O)C#N;QCOQUIUKFADILG-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145654;MM145654;C=NN(C)C=NC(=N)N;ALRWCMXLGSPFES-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145655;MM145655;CNC(=O)C(O)C=NN;WVYNNONDKUMDOE-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145656;MM145656;CN(C=O)N=CC(=N)N;XJXYNCCVCKKWIB-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145657;MM145657;C#CC(C=NN)NC=O;OXRZXWVSYCEUPP-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145658;MM145658;CN(C=O)N=CC(N)=O;IBKFIGMZHPXERO-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145659;MM145659;N#CC(O)C(=NO)NC=O;VPRKQDUQBRNNRP-UHFFFAOYSA-N;143.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145660;MM145660;C#Cc1cnc(=O)n(O)c1;SEBLPVKRKAFXSN-UHFFFAOYSA-N;136.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145661;MM145661;C#CC(C)C=CC(=C)C;TWZWIZMWPLUWLD-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145662;MM145662;C#CC(C)C=CC(C)=O;BKUPIAUCLJGUMS-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145663;MM145663;C#CC(C)C=CC(=N)N;FNAUXAWHKOPTHA-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145664;MM145664;C#CC(C)C=CC(=C)F;JCRJMYVOWVVTCO-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145665;MM145665;C#CC(N)C=CC(=C)C;YBMSHSZPURQSHX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145666;MM145666;C#CC(N)C=CC(=N)N;KUTOTWLJGCODDF-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145667;MM145667;C#CC(N)C=CC(N)=O;XBSHPMCSLUTYMY-UHFFFAOYSA-N;124.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145668;MM145668;C#CC(N)C=CC(=C)F;SXDZIZOSGZXVKD-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145669;MM145669;C#CC(O)C=CC(=C)C;YMOVMESVHXTTIL-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145670;MM145670;C#CC(O)C=CC(=N)N;SHEQKUNVWXFFMY-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145671;MM145671;C#CC(O)C=CC(N)=O;RNKVIUDPDUYACH-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145672;MM145672;C#CC(F)C=CC(=C)C;MSLLBWJXULQCNA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145673;MM145673;C#CC(F)C=CC(C)=O;FXPJRBMEFXXGSF-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145674;MM145674;C=C(C=CC(C)C)CC;YPNOUONLHRJCKI-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145675;MM145675;C=C(C=CC(C)C)CN;FRRXTZZQPIKMLQ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145676;MM145676;C=C(C=CC(C)C)CO;BYLOWTZPCQPOJD-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145677;MM145677;C=C(C=CC(C)C)CF;ABWATJBIGSNAKH-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145678;MM145678;C=C(C=CC(C)N)CC;RJFJMEHUEMDVHM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145679;MM145679;C=C(C=CC(C)N)CF;ZZIKVSQMMSHFFK-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145680;MM145680;CCc1nc(F)c(N)[nH]1;LFFMONGEQGYLTA-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145681;MM145681;CC1(C)NC1C(=O)CC#N;CDBPCRYSWDWYDN-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145682;MM145682;C=C(C=CC(C)F)CC;DXAIZXHGDITOMH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145683;MM145683;C=C(C=CC(C)F)CN;GKNRLKZKTGFAKQ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145684;MM145684;C=C(C=CC(C)F)CO;QSQHHCVDYRGTQX-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145685;MM145685;C=C(C=CC(C)F)CF;VQBMHGRQCUCEDW-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145686;MM145686;C=C(C=CC(F)F)CC;HLOYRRYQCRPUQT-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145687;MM145687;C=C(C=CC(F)F)CN;ITVJGXUAINCHAJ-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145688;MM145688;CCC(=O)C=CC(C)C;MTSUINBHQHHCSL-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145689;MM145689;CC(C)C=CC(=O)CF;CEAWKWOKQBPAJM-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145690;MM145690;CCC(=O)C=CC(C)F;JYNADZKINPXGEH-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145691;MM145691;CC(F)C=CC(=O)CF;LNXDLZLQCGKGTP-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145692;MM145692;CC(C)C=CC(=N)NN;AEQJWVRIJSEPIK-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145693;MM145693;CC(C)C=CC(=N)NO;PYEXYLVBNZHHTN-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145694;MM145694;CC(N)C=CC(=N)NO;HBGMEBDBBAJPBR-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145695;MM145695;CNC(=N)C=CC(C)F;UOGVBBIOJUWVHC-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145696;MM145696;CC(F)C=CC(=N)NO;HGRUWPUUXXIPKO-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145697;MM145697;CNC(=N)C=CC(F)F;WTUDKEAMEMUOGU-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145698;MM145698;CC(F)CNCC(O)C#N;DGLWRALFKACPJV-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145699;MM145699;N#CC(O)CNCC(N)=O;GWZBXAQVKWLITO-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145700;MM145700;CNC(=O)C=CC(F)F;CGCOQSWHXPUNND-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145701;MM145701;C=C(C=CC(C)C)OC;LNXUKUMFRKIDPO-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145702;MM145702;C=C(C=CC(C)O)OC;MUXRVPNEZOWREZ-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145703;MM145703;COC(=O)C=CC(F)F;LVJVJKUDUWCYRO-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145704;MM145704;CN(C)C=CC(=O)CO;HUCVORUGAFAIEL-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145705;MM145705;C=C(F)CNCC(O)C#N;NJTFMISRSFZUPC-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145706;MM145706;CN(C)C=CC(=N)NN;RIMJKDPPOFLVKZ-UHFFFAOYSA-N;128.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145707;MM145707;CN(C)C=CC(=N)NO;LYTUNISWZWMETN-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145708;MM145708;C#CC(=C)NC(=O)NNC;DKEHHFYBWSPWHX-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145709;MM145709;CN(C)C=CC(=O)NO;HLDLYPFSOHTDMN-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145710;MM145710;C=C(C=NN(C)C)CC;IXXWOILUPFRGDZ-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145711;MM145711;C=C(C=NN(C)C)CN;FROVHDAZIXGHSN-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145712;MM145712;NNC(=O)N(N)CC(N)=O;ZEAYWBNXTYGCDI-UHFFFAOYSA-N;147.14;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145713;MM145713;CN(C)N=CC(=O)CO;WFQMMTXFVAZQAG-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145714;MM145714;C#CC1(C)CN(N)C(=O)N1;CSSAFMFUJHMAHO-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145715;MM145715;CNC(=N)C=NN(C)C;NXBKVEQOGJOFDH-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145716;MM145716;C#CCC(=C)CNC=NO;CEFGNXKSVZSSGL-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145717;MM145717;C=C(C=NN(C)C)OC;XGNSBRFBYHPQFM-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145718;MM145718;CCC(=N)N=CN(C)C;CYFKRZVUXWEUJP-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145719;MM145719;CCNC(=O)C(O)C=NN;ABXNLMSROLOVAZ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145720;MM145720;C=C(F)C(=N)NN=CC#N;MUDPTRPUOAPAFU-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145721;MM145721;CNNC(=O)C(N)C(N)=O;HKMNHDFJCLHUAO-UHFFFAOYSA-N;146.15;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145722;MM145722;CC(C=O)NCC(O)C#N;WFOCTYYAOCKLKT-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145723;MM145723;CC(C#N)NCC(O)C#N;YBXQDSZJYVRIGF-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145724;MM145724;C#CC(C)NCC(O)C#N;WDTPSJMRWFCVMI-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145725;MM145725;COC(=N)N=CN(C)N;VIFZVHTWFXVZMZ-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145726;MM145726;CC(C)=NNC(=NO)NN;NYRKZLDWTARRMG-UHFFFAOYSA-N;145.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145727;MM145727;C=CC(=C)C=CC(C)C;OULPNRFRNYCBPB-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145728;MM145728;C=C(C=O)C=CC(C)C;MVCSIPKEWZEUPS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145729;MM145729;C=C(C#N)C=CC(C)C;WLZJIVHYHQNFMC-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145730;MM145730;C=CC(=C)C=CC(C)N;XBODUGPXVJNZNK-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145731;MM145731;C#CC(O)C(=N)N(O)C=N;YHJYCLLKTJIFDN-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145732;MM145732;CN(N=CNN)C(=O)NN;DDRJORDJZBNESB-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145733;MM145733;C=C(C#N)C=CC(C)O;DPXZZSCWAJMKAZ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145734;MM145734;C=CC(=C)C=CC(C)F;AWILLQFZYRGIRA-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145735;MM145735;C=C(C=O)C=CC(C)F;SJJMKZDFTRINTC-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145736;MM145736;C=C(C#N)C=CC(C)F;QPGCBZYZAQKVMB-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145737;MM145737;C=CC(=C)C=CC(F)F;AYURUYMROHYHHR-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145738;MM145738;C=C(C=O)C=CC(F)F;NXBTWUSFGBEHIW-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145739;MM145739;C=C(C#N)C=CC(F)F;JYTIFKAYLMLHAM-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145740;MM145740;C=CC(=O)C=CC(C)C;FJYXDBQXVJLKRK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145741;MM145741;CC(C)C=CC(=O)C#N;LHDDFNYFDDNKCA-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145742;MM145742;C=CC(=O)C=CC(F)F;UCRQXKYQPVGLRP-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145743;MM145743;CN(C)C=CC(=O)C#N;HBRSJYJYYWFSEO-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145744;MM145744;C=CC(=C)C=NN(C)C;CQIKQSXGFITZIR-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145745;MM145745;CN(C)N=CC(=O)C=O;SQJBYXRCXIBZOT-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145746;MM145746;CNN=CC(O)C(=O)NC;SFMGWTJMTCBCAW-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145747;MM145747;C=CC(=O)N=CN(C)C;UENNYZNEXDFRMQ-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145748;MM145748;CN(C)C=NC(=O)C=O;BXEVVWVCHQEIKR-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145749;MM145749;CN(O)C=NC(=O)C=O;RQSWHGJHQKKSLP-UHFFFAOYSA-N;130.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145750;MM145750;C#CC(=C)C=CC(C)C;JHFNFDTWJXWQIM-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145751;MM145751;C#CC(=C)C=CC(C)N;QITMIZKCXHOVHK-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145752;MM145752;CN=C(C)N(C)N=CC#N;JLEABYBQWRPDCO-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145753;MM145753;C#CC(=C)C=CC(C)F;VMONQJMTLMLAFZ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145754;MM145754;C#CC(=C)C=CC(F)F;QFDCVLLZSTYDGV-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145755;MM145755;C#CC(=O)C=CC(C)C;SQSPORCGJMCGFH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145756;MM145756;C#CC(=O)C=CC(C)F;DALPAVSZZYRZMD-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145757;MM145757;N#CCCNCC(O)C#N;VIRASQUMEJVPKP-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145758;MM145758;C#CC(=C)C=NN(C)C;IKCWPZUUBXERSY-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145759;MM145759;NNC(=O)OCOCCO;WEJOXAODDGFDKP-UHFFFAOYSA-N;150.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145760;MM145760;C=C(C)C=CC(=C)CC;KLHGCDQHZYKXRY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145761;MM145761;C=C(C)C=CC(=C)CN;MFAQDSWRIYDHMN-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145762;MM145762;C=C(C)C=CC(=C)CO;QXQQEBVUYPNESX-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145763;MM145763;C=C(C)C=CC(=C)CF;RBCHUEYFKZTMES-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145764;MM145764;C=C(C=CC(C)=O)CC;LFFJNPSTVBKEDH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145765;MM145765;C=C(C=CC(C)=O)CF;UDVDHTBBQAIXBR-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145766;MM145766;C=C(C=CC(=N)N)CC;FUHUQLDNPGAATE-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145767;MM145767;C=C(C=CC(=N)N)CN;UOGHNGSLESZGSO-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145768;MM145768;C=C(C=CC(=N)N)CF;FEDRWDSPQXHZQH-UHFFFAOYSA-N;128.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145769;MM145769;COCOCOC(=O)NN;BJDOJXZHWFFYKA-UHFFFAOYSA-N;150.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145770;MM145770;C#CC(=CN)C(=O)NNC;KIPSWYGXIGUJMB-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145771;MM145771;C=CNC1=NC(=NN)CO1;LPZTVLJWKHXVDA-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145772;MM145772;C=C(C=CC(=O)O)CC;GMHYUBNESQZKTA-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145773;MM145773;C=C(C=CC(=O)O)CF;GENJMSHCFSRSLU-UHFFFAOYSA-N;130.12;1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145774;MM145774;C=C(F)C=CC(=C)CC;CKJHYWUOUXYZFG-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145775;MM145775;C=C(F)C=CC(=C)CN;NBEIULCICIUXBM-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145776;MM145776;C=C(F)C=CC(=C)CO;QZZVVSRRTKTLNJ-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145777;MM145777;C=C(F)C=CC(=C)CF;XRTLESMPSRVYTG-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145778;MM145778;C=C(C)C=CC(=O)CC;KXMUGEJXADNXJP-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145779;MM145779;C=C(C)C=CC(=O)CF;JBLRFAROGFEUTE-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145780;MM145780;CCC(=O)C=CC(C)=O;YTVSAHBJOWKZHT-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145781;MM145781;CCC(=O)C=CC(=N)N;QRLATJDBYJCPNE-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145782;MM145782;N=C(N)C=CC(=O)CO;KKKGXXCWQBERBF-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145783;MM145783;N=C(N)C=CC(=O)CF;CVIAFZHFCKEHPR-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145784;MM145784;NC(=O)C=CC(=O)CO;QAQUXPBJJLXGQM-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145785;MM145785;C#CCC=CCNC=NO;RFYSRLPUBATWDZ-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145786;MM145786;CN1C(=O)C=CC1=CO;VDSGQQFWNHSGRX-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145787;MM145787;C=C(F)C=CC(=O)CC;MLZFWEHUYVBCCU-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145788;MM145788;C=C(C)C=CC(=N)NC;MNIPSEPGCGLCCN-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145789;MM145789;C=C(C)C=CC(=N)NN;GCPGLEYUNKAWCF-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145790;MM145790;C=C(C)C=CC(=N)NO;UVBLOGMCNJCXGW-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145791;MM145791;CNC(=N)C=CC(=N)N;KYUIULHCHLSNHA-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145792;MM145792;N=C(N)C=CC(=N)NN;PBAOZJYZZNQACC-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145793;MM145793;CN=C(N)C=CC(N)=O;AIDKERWVQXLOES-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145794;MM145794;N=C(C=CC(N)=O)NO;IJRPBBFWSJKWFY-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145795;MM145795;CC1(C)C(O)C(=O)C1C=O;KBTXPLCOUBIXNO-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145796;MM145796;C=CC(C=CC1CC1)=NO;QFLNGZMIIVVCTR-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145797;MM145797;CNC(=O)C=CC(=N)N;ITMNXPMLTROYGI-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145798;MM145798;N=C(N)C=CC(=O)NN;BWJCFRFTFONDJS-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145799;MM145799;NN=CC(O)C(N)=O;PAIZBCGJMFMZSB-UHFFFAOYSA-N;117.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145800;MM145800;CCn1[nH]cc(O)c1=O;SAWBYRNTWDTHQZ-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145801;MM145801;C=C(C=CC(C)=O)OC;WMMGUIXJJXKCQS-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145802;MM145802;C=CC(=C)C=CC(=C)C;HCASPONBRUORAA-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145803;MM145803;C=C(C)C=CC(=C)C=O;DJTIWFPTDOHUBF-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145804;MM145804;C=C(C)C=CC(=C)C#N;ANMHDUBEMPBSGG-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145805;MM145805;C=CC(=C)C=CC(C)=O;IUEGLFRZHDVFSK-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145806;MM145806;C=C(C=O)C=CC(C)=O;XOMZFUDLKLSSRT-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145807;MM145807;C=C(C#N)C=CC(C)=O;YQJMTLHNLCFHTH-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145808;MM145808;C=C(C=O)C=CC(=N)N;NAQKYRBTGOKGRA-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145809;MM145809;CCC1CN1C=NO;MGSKMGRITVYHOG-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145810;MM145810;C=CC(=C)C=CC(=O)O;CGXAKBKEWUCLSK-UHFFFAOYSA-N;124.14;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145811;MM145811;C=CC(=C)C=CC(=C)F;CQLWOLRTZPNGBG-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145812;MM145812;C=C(F)C=CC(=C)C=O;RFTHFYYPGMSANM-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145813;MM145813;C=C(F)C=CC(=C)C#N;XSAWWDMMPNZBDX-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145814;MM145814;C=CC(=O)C=CC(=C)C;HBFCNDKQQJIHPF-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145815;MM145815;C=C(C)C=CC(=O)C#N;DBZRKRAOYWCQOC-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145816;MM145816;C=CC(=O)C=CC(=N)N;HLPGSUMXLXOEJQ-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145817;MM145817;N=C(N)C=CC(=O)C=O;WCXKCBYHVNLYKO-UHFFFAOYSA-N;126.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145818;MM145818;CN(C)NC(=NO)NO;LXKGZAVIUBUNDK-UHFFFAOYSA-N;134.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145819;MM145819;CC(=NO)NCC=NN;RLRXUUWFHDKCRY-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145820;MM145820;N#CC(=O)C=CC(=O)O;XHMCGTVOFNFVEM-UHFFFAOYSA-N;125.08;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145821;MM145821;C=CC(=O)C=CC(=C)F;PWWPGSIGOASSQM-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145822;MM145822;C=C(F)C=CC(=O)C=O;KBBLFMQMLOYCMX-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145823;MM145823;C#CC(=C)C=CC(=C)C;XDJLEOYAYJUFKR-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145824;MM145824;C#CC(=C)C=CC(C)=O;AQUPUHFTVWKHJX-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145825;MM145825;C#CC(=C)C=CC(=N)N;ANEXINNWADTZBR-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145826;MM145826;CC1N=C(NO)C=C1F;OUGRQADWGUUCRE-UHFFFAOYSA-N;130.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145827;MM145827;C#CC(=C)C=CC(=O)O;FKZYBAMJQYIYFZ-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145828;MM145828;C#CC(=C)C=CC(=C)F;BKIJYOFUZQYUOK-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145829;MM145829;C#CC(=O)C=CC(=C)C;DXRAXTMLQKRRRW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145830;MM145830;C#Cc1c[nH]c(C#C)n1;KLTODOXOAGFKQZ-UHFFFAOYSA-N;116.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145831;MM145831;C#CC(=O)C=CC(=C)F;DJOHHFZJGPNPME-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145832;MM145832;CC=C(C)C=CC(C)C;NIOUYZFZSQOOOL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145833;MM145833;CC(C=CC(C)C)=CF;AUDFYZXTRRSSEB-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145834;MM145834;CC=C(C)C=CC(C)N;MFUTULPWTWAPJL-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145835;MM145835;CC(C=CC(C)N)=CF;NPJGZAPPOPTIQA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145836;MM145836;CC(F)(F)CCC(=O)NN;PNTFYOYJFRKHHA-UHFFFAOYSA-N;152.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145837;MM145837;CN(C)N=CC(O)C(N)=O;MCFUDEBPGDOOIH-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145838;MM145838;CC=C(C)C=CC(C)F;KBNLOXRWKGDDBH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145839;MM145839;CC(C=CC(C)F)=CF;DGDXFSSTQVEIBF-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145840;MM145840;CC=C(C)C=CC(F)F;FDBTZAZYKYKLPZ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145841;MM145841;CC(C=CC(F)F)=CF;NDKPXVFQNPVALE-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145842;MM145842;CC=C(F)C=CC(C)C;AJGPCTQRPFPLCQ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145843;MM145843;CC(N)C=CC(F)=CF;IEIIZMKNMRUHGX-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145844;MM145844;CC=C(F)C=CC(C)O;IFNWSZFCFONNAB-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145845;MM145845;CC(F)C=CC(F)=CF;VFVSGLNRHIKPGO-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145846;MM145846;CC(C=CC(C)C)=NN;KAHKLLUTORBQED-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145847;MM145847;C=C(NC(=O)NNC)OC;XAMRVBROXUENRM-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145848;MM145848;CC(=O)NNCC#CCO;SAOMMWHVPQEVGR-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145849;MM145849;CC(C=CC(C)O)=NO;RQCHLNHRPQNQRP-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145850;MM145850;CC(C=CC(C)F)=NN;OQIPCYCTJCFIIJ-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145851;MM145851;CC(C=CC(F)F)=NN;UVTAKNLZKRNAPT-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145852;MM145852;CC=C(C)C=NN(C)C;OQGHKNMZJCKZBC-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145853;MM145853;CN(C)N=CC(F)=CN;UBNUWCMIDIJOEG-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145854;MM145854;CN(C)N=CC(F)=CF;QNTJSCXZGSHVIT-UHFFFAOYSA-N;134.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145855;MM145855;CC(C=NN(C)C)=NO;TVTCFEQFWOMYMU-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145856;MM145856;CN=C(C)N=CN(C)C;TXSJXLBNLOFJIP-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145857;MM145857;C#CCN(N)C(=O)NNC;VCBOIJPMPRTXAH-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145858;MM145858;C=C(C)C=CC(C)=CC;COQXDMOQOGUJRU-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145859;MM145859;C=C(C)C=CC(C)=CF;XSCCZSJSKBBZDA-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145860;MM145860;CC=C(C)C=CC(C)=O;UNBOWFBNZBFFKK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145861;MM145861;CC(=O)C=CC(C)=CF;IJCDPPMPSCZCKY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145862;MM145862;CC=C(C)C=CC(=N)N;UZJCVOKUQRTNSZ-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145863;MM145863;N#CCn1cc(N)c(N)n1;JJONBYGMGMDQQG-UHFFFAOYSA-N;137.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145864;MM145864;C#CC(F)CNC(=O)NN;NLJSKLNRISMNSY-UHFFFAOYSA-N;145.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145865;MM145865;CC=C(C)C=CC(=O)O;QAJOHPAPIABXTF-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145866;MM145866;CC(C=CC(=O)O)=CF;GNMDISOWRUXNTR-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145867;MM145867;C=C(F)C=CC(C)=CC;VFSNSZJMGIPDBM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145868;MM145868;C=C(C)C=CC(F)=CF;XBAKPHITRJAFPL-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145869;MM145869;CC=C(F)C=CC(C)=O;GJWXHUSUOFMZDJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145870;MM145870;CC(=O)C=CC(F)=CF;FJFGJCZZNCKMQQ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145871;MM145871;CC=C(F)C=CC(=N)N;BHKQUWDDIMMWEH-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145872;MM145872;N=C(N)C=CC(F)=CF;FHBSRCSUKXLWLZ-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145873;MM145873;C=C(F)C=CC(F)=CF;OERVCKVNUZVKMX-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145874;MM145874;C=C(C)C=CC(C)=NN;NJVPRJGKLQLJTC-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145875;MM145875;C=CC(=CF)NC(=O)NN;RFFHJZJCHCELQO-UHFFFAOYSA-N;145.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145876;MM145876;CC(C=CC(=N)N)=NN;UHRLEOUSPGPVAY-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145877;MM145877;CC(C=CC(=N)N)=NO;DBAMTIXKYWXLEB-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145878;MM145878;CN=C(NNC(N)=O)OC;AHNVBFJZXQWJQB-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145879;MM145879;CC(C=CC(N)=O)=NO;KGNAFABTCJYCJL-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145880;MM145880;C=C(F)C=CC(C)=NN;VPKFFIAQNJGTKS-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145881;MM145881;C=C(F)C=CC(C)=NO;WRVWCKGFSGLYDW-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145882;MM145882;CCC(C)C#CC(C)C;WJILROLZEFHEND-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145883;MM145883;CC(C)C#CC(C)CN;NCFPOVAJXWCYRI-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145884;MM145884;CC(C)C#CC(C)CO;FQPPFBMFNVYUEM-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145885;MM145885;CC(C)C#CC(C)CF;UKNRCDMBCXFVLL-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145886;MM145886;CCC(C)C#CC(C)N;GJLMUFFUYTVYLP-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145887;MM145887;CC(N)C#CC(C)CN;WZWHXTARSOQTDT-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145888;MM145888;CC(N)C#CC(C)CF;CUTQRYQCSPSMEJ-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145889;MM145889;CCC(C)C#CC(C)O;QGGVRDQBGTUXDM-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145890;MM145890;CC(O)C#CC(C)CF;TZXLZZRDJFVXGH-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145891;MM145891;CCC(C)C#CC(C)F;IUAJVVZKMCKSHB-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145892;MM145892;CCC(C)C#CC(F)F;CJJSIVCIXRXTOH-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145893;MM145893;CCC(N)C#CC(C)C;IPYXRDWSVAYTAS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145894;MM145894;CC(C)C#CC(N)CN;HWDKSZYTXHAWRS-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145895;MM145895;CC(N)C#CC(N)CN;APLVTQIGZKFESU-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145896;MM145896;CC(N)C#CC(N)CO;GHDUPSYUDROFLI-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145897;MM145897;CC(N)C#CC(N)CF;QLMNRRZVOSJNFH-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145898;MM145898;CC(O)C#CC(N)CN;HDNRRGDHKSTQTA-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145899;MM145899;CCC(N)C#CC(C)F;RUEMTSXLWDPBSU-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145900;MM145900;CC(F)C#CC(N)CN;WLADMVOFZTZQIX-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145901;MM145901;CCC(N)C#CC(F)F;JLQUAHHKMUWPGU-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145902;MM145902;NCC(N)C#CC(F)F;IGODBTBDENPYMY-UHFFFAOYSA-N;134.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145903;MM145903;CCC(O)C#CC(C)C;AIRFCKNYWXUTTN-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145904;MM145904;CC(C)C#CC(O)CN;QDIXXFLKBXKFGU-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145905;MM145905;CC(C)C#CC(O)CF;NCRFYRWLSNCEJE-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145906;MM145906;CC(N)C#CC(O)CN;YRAZTHBDVWVFEP-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145907;MM145907;CC(N)C#CC(O)CO;DREDKSBQZQLDHC-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145908;MM145908;CC(N)C#CC(O)CF;KQTJHQQFRPVCMQ-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145909;MM145909;CC(O)C#CC(O)CN;FGURMQZJAKPYLN-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145910;MM145910;CC(O)C#CC(O)CO;RITDWBPQKUUTSH-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145911;MM145911;CCC(O)C#CC(C)F;MOTPKECRXDJOTI-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145912;MM145912;CC(F)C#CC(O)CO;VTCKENFHKVLBCL-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145913;MM145913;CCC(O)C#CC(F)F;HHXKKAWFLZFYMD-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145914;MM145914;NCC(O)C#CC(F)F;URRLFOFQJQDQLI-UHFFFAOYSA-N;135.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145915;MM145915;OCC(O)C#CC(F)F;RMOOUQZTVJMXOY-UHFFFAOYSA-N;136.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145916;MM145916;CCC(F)C#CC(C)C;UQUNEALOOVVDMR-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145917;MM145917;CC(C)C#CC(F)CF;BHDGHKSUTMEHDN-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145918;MM145918;CCC(F)C#CC(C)N;GBIQUABIJYTHAU-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145919;MM145919;CC(N)C#CC(F)CO;XYSDRIFSXVLCOB-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145920;MM145920;CCC(F)C#CC(C)F;KADLSHFEJZEZDG-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145921;MM145921;CC(F)C#CC(F)CO;VATZBPAYUITSIU-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145922;MM145922;CC(F)C#CC(F)CF;SENBFMJXLRBOCF-UHFFFAOYSA-N;136.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145923;MM145923;CCC(F)C#CC(F)F;ITBYFBDUHXYBBL-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145924;MM145924;NCC(F)C#CC(F)F;DATDYMCLPQGFSM-UHFFFAOYSA-N;137.1;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145925;MM145925;CNC(C)C#CC(C)C;QZWVYAADOFYVOT-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145926;MM145926;CNC(C)C#CC(C)N;DTWXAQAWPNTEEM-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145927;MM145927;CNC(C)C#CC(F)F;IMUJIDLBFSDRDP-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145928;MM145928;COC(C)C#CC(C)C;SQESKHSKAOLFJU-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145929;MM145929;COC(C)C#CC(C)F;GDGAXAYREQJHOE-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145930;MM145930;COC(C)C#CC(F)F;PJAICGLYWYHJBC-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145931;MM145931;C=CC(C)C#CC(C)C;VJRBPAOWTSRWBX-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145932;MM145932;CC(C)C#CC(C)C=O;YIZLZHKEAUERTL-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145933;MM145933;CC(C)C#CC(C)C#N;XPYXDBJLIXBTLU-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145934;MM145934;C=CC(C)C#CC(C)N;YAPNJHISFBZQRM-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145935;MM145935;C=CC(C)C#CC(C)O;JETAFFIEUUAOIA-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145936;MM145936;CC(O)C#CC(C)C=O;GISWMLGYBGEIEF-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145937;MM145937;CC(O)C#CC(C)C#N;QWJXMWCMJCYBLC-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145938;MM145938;C=CC(C)C#CC(C)F;UYWLBTRAUQNKDX-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145939;MM145939;CC(F)C#CC(C)C=O;RRBZBFSQASHPPF-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145940;MM145940;CC(F)C#CC(C)C#N;PZEZWSHSBUJGIU-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145941;MM145941;C=CC(C)C#CC(F)F;LNOUWFYYEOVJPP-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145942;MM145942;CC(C#CC(F)F)C=O;XHQXPLOPXSAFNE-UHFFFAOYSA-N;132.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145943;MM145943;CC(C#N)C#CC(F)F;NAHFOMMIVXSMDE-UHFFFAOYSA-N;129.11;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145944;MM145944;C=CC(N)C#CC(C)C;UXOYMZLAEUHODX-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145945;MM145945;C=CC(N)C#CC(C)F;HQEKSUFCHNWPJA-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145946;MM145946;C=CC(O)C#CC(C)C;JVAQBNQHUHUXBH-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145947;MM145947;CC(O)C#CC(O)C=O;PQYSQQFAPRWFKH-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145948;MM145948;CC(O)C#CC(O)C#N;PNANACQAINMIKB-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145949;MM145949;C=CC(O)C#CC(C)F;VLUSNZDCEUPYJO-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145950;MM145950;C=CC(O)C#CC(F)F;GXPYNLSFFSXDBR-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145951;MM145951;C=CC(F)C#CC(C)C;HZXYNTMWWZEUQX-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145952;MM145952;CC(C)C#CC(F)C#N;JGSCWHXRGDBVJW-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145953;MM145953;C=CC(F)C#CC(C)F;RUUMMIGHKNSQQJ-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145954;MM145954;CC(F)C#CC(F)C=O;QAHSXMVAZNJUBP-UHFFFAOYSA-N;132.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145955;MM145955;CC(F)C#CC(F)C#N;CGIBWVBUUQAOHY-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145956;MM145956;C=CC(F)C#CC(F)F;QBUSKEXHSLXNFH-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145957;MM145957;N#CC(F)C#CC(F)F;AIVMKIILLBBMNM-UHFFFAOYSA-N;133.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145958;MM145958;C#CC(C)C#CC(C)C;OAKKZNVLTZGSSD-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145959;MM145959;C#CC(C)C#CC(C)N;KVVICZSTGDQAPP-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145960;MM145960;C#CC(C)C#CC(C)O;DVWWGRLRUXAVSN-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145961;MM145961;C#CC(C)C#CC(C)F;ZGMMCFKALWWTBZ-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145962;MM145962;C#CC(C)C#CC(F)F;AXLYGJLUMVJFNL-UHFFFAOYSA-N;128.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145963;MM145963;C#CC(O)C#CC(C)C;NWCFGMSNMAVVIX-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145964;MM145964;C#CC(O)C#CC(C)F;ZKHCZIMGTZUUEE-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145965;MM145965;C#CC(O)C#CC(F)F;HUOSOAHAIMTUAS-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145966;MM145966;C#CC(F)C#CC(C)C;IGJMWMWJXQJQEO-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145967;MM145967;C#CC(F)C#CC(C)N;XSPKPBFRXVMIRD-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145968;MM145968;C#CC(F)C#CC(C)O;KLHOECGZHAZDCM-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145969;MM145969;C#CC(F)C#CC(C)F;ALHOSEHIZFILGG-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145970;MM145970;C#CC(F)C#CC(F)F;QZNQIFOEXANEQM-UHFFFAOYSA-N;132.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145971;MM145971;C=C(C)C#CC(C)CC;OPLIRAQVXXUDQA-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145972;MM145972;C=C(C)C#CC(C)CN;GWAQFNBGBLAOJD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145973;MM145973;C=C(C)C#CC(C)CO;KAUMJBFADOYRAH-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145974;MM145974;C=C(C)C#CC(C)CF;UCUAHVOEDVIUKG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145975;MM145975;CCC(C)C#CC(C)=O;SDFKPWHOBRHXKK-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145976;MM145976;CCC(C)C#CC(=N)N;TUCOEBNHOPKRJG-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145977;MM145977;CC(C#CC(=N)N)CN;MQJZUJXGUFABMS-UHFFFAOYSA-N;125.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145978;MM145978;CC(C#CC(=N)N)CO;YIOVBVYGNCNNTF-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145979;MM145979;CCC(C)C#CC(N)=O;ZYQOYJATTYAGJK-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145980;MM145980;CC(C#CC(N)=O)CN;UBSHVGUQEHYESL-UHFFFAOYSA-N;126.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145981;MM145981;CC(C#CC(N)=O)CO;VABQQXXSJLOLKG-UHFFFAOYSA-N;127.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145982;MM145982;CCC(C)C#CC(=O)O;LNPJWHMAAGDLIG-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145983;MM145983;CC(C#CC(=O)O)CF;QAMRAIJYIOZSJL-UHFFFAOYSA-N;130.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145984;MM145984;C=C(F)C#CC(C)CC;GBEVASCORPGMBC-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145985;MM145985;C=C(F)C#CC(C)CN;AVKUHPQNNAWBAW-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145986;MM145986;C=C(F)C#CC(C)CO;HDIGEAVNDRTAEC-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145987;MM145987;C=C(C)C#CC(N)CC;CSZTWPTUURUKCT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145988;MM145988;C=C(C)C#CC(N)CN;LZWOAEPLKAMXJV-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145989;MM145989;CCC(N)C#CC(=N)N;ZONKWAWIBJXPLI-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145990;MM145990;N=C(N)C#CC(N)CN;YDEWTDSNCNGJDY-UHFFFAOYSA-N;126.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145991;MM145991;N=C(N)C#CC(N)CO;BATWRRVLCJZPHK-UHFFFAOYSA-N;127.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145992;MM145992;N=C(N)C#CC(N)CF;ZAWJRUOCWGDHQC-UHFFFAOYSA-N;129.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145993;MM145993;CCC(N)C#CC(N)=O;CEZRXBBPSFBFQT-UHFFFAOYSA-N;126.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145994;MM145994;NCC(N)C#CC(N)=O;REFOHNRVCYUDOE-UHFFFAOYSA-N;127.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145995;MM145995;C=C(F)C#CC(N)CC;CPPFJJTURIPKSM-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145996;MM145996;C=C(F)C#CC(N)CN;YKWBCUSTCHXFCH-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145997;MM145997;C=C(C)C#CC(O)CC;DUDZQARPXNGCOB-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145998;MM145998;C=C(C)C#CC(O)CN;DJFAOGWAYYZAGP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM145999;MM145999;C=C(C)C#CC(O)CO;LLNHNGWNEFCVHS-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146000;MM146000;C=C(C)C#CC(O)CF;ZEOYBWWNWSDNSB-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146001;MM146001;CC(=O)C#CC(O)CO;PRRAJEHAKMLYJH-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146002;MM146002;CCC(O)C#CC(=N)N;XZOIMNDKQLXXDU-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146003;MM146003;N=C(N)C#CC(O)CN;POYQRDDAQUZUQG-UHFFFAOYSA-N;127.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146004;MM146004;N=C(N)C#CC(O)CO;JSSDIZLMMBWOSL-UHFFFAOYSA-N;128.13;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146005;MM146005;N=C(N)C#CC(O)CF;BCMQTYRZRNPAIH-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146006;MM146006;CCC(O)C#CC(N)=O;UZHAWBUZKZZNSN-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146007;MM146007;NCC(O)C#CC(N)=O;VPDJMBXRULCICM-UHFFFAOYSA-N;128.13;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146008;MM146008;NC(=O)C#CC(O)CO;AUABRJLTVZWPAX-UHFFFAOYSA-N;129.12;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146009;MM146009;NC(=O)C#CC(O)CF;LYVMKFQXGGOFNF-UHFFFAOYSA-N;131.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146010;MM146010;O=c1ccn(O)n(O)c1=O;YWQISYSQIPWOAX-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146011;MM146011;C=Cc1oc(O)c(F)c1F;SFIIIBQEPCFTFD-UHFFFAOYSA-N;146.09;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146012;MM146012;C=C(F)C#CC(O)CC;VCASAESVELAZIW-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146013;MM146013;C=C(F)C#CC(O)CN;ATSRGAYAMYQQBK-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146014;MM146014;C=C(F)C#CC(O)CO;QZEDYQKOWPOPDS-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146015;MM146015;C=C(C)C#CC(F)CC;OZKSJVHCIJYHTK-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146016;MM146016;C=C(C)C#CC(F)CN;CNPILIJXVXGEST-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146017;MM146017;C=C(C)C#CC(F)CF;VPWHLBSMQNUKML-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146018;MM146018;CCC(F)C#CC(C)=O;LEMOSAYARITPES-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146019;MM146019;CC(=O)C#CC(F)CF;ASDYFXCLCGFMIA-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146020;MM146020;CCC(F)C#CC(=N)N;SDFIBGRHZYIULA-UHFFFAOYSA-N;128.15;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146021;MM146021;N=C(N)C#CC(F)CN;XOASBEFYOAPXNI-UHFFFAOYSA-N;129.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146022;MM146022;N=C(N)C#CC(F)CO;JJZBMVXXHXVOBN-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146023;MM146023;N=C(N)C#CC(F)CF;HPTGBLWIGUBFKS-UHFFFAOYSA-N;132.11;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146024;MM146024;NC(=O)C#CC(F)CO;OIROLSDRMXDEIO-UHFFFAOYSA-N;131.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146025;MM146025;CCC(F)C#CC(=O)O;VNMDRVLDHFHBHD-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146026;MM146026;Nc1oc(F)c(O)c1O;KNDRGDNPKZZSNJ-UHFFFAOYSA-N;133.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146027;MM146027;C=C(F)C#CC(F)CO;PIMLQDKCPSEEDS-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146028;MM146028;C=C(F)C#CC(C)NC;APRXYILIWHIGMK-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146029;MM146029;C=C(C)C#CC(C)OC;CLENDDYYHDKCPI-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146030;MM146030;COC(C)C#CC(C)=O;UOTNEZJZWDWVKM-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146031;MM146031;COC(C)C#CC(=N)N;BAHTYLLLXISFAM-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146032;MM146032;C=C(F)C#CC(C)OC;VILCWRRBSMITHX-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146033;MM146033;C=CC(C)C#CC(=C)C;YFVVTXVFRCFLDV-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146034;MM146034;C=C(C)C#CC(C)C=O;QFSNQWAHEIHASX-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146035;MM146035;C=C(C)C#CC(C)C#N;RZMMCMPMQDUANY-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146036;MM146036;C=CC(C)C#CC(C)=O;OSFGDIPSLUYWRT-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146037;MM146037;CC(=O)C#CC(C)C=O;XBUHAZGVKXNRSH-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146038;MM146038;CC(=O)C#CC(C)C#N;ATWWHUFKYLJEKI-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146039;MM146039;CC(C#N)C#CC(=N)N;RMOATGICJJKSTD-UHFFFAOYSA-N;121.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146040;MM146040;CC(C#CC(N)=O)C=O;RPNAFYYUAFFQPL-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146041;MM146041;C=CC(C)C#CC(=O)O;XADITSDKTIRCCI-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146042;MM146042;CC(C#N)C#CC(=O)O;GZKDRDONRQZGCK-UHFFFAOYSA-N;123.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146043;MM146043;C=CC(C)C#CC(=C)F;SWWAWMYISRBUDV-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146044;MM146044;C=C(F)C#CC(C)C=O;FTAWWICZPIGPSV-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146045;MM146045;C=C(F)C#CC(C)C#N;LLCSFZGBQOZKMD-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146046;MM146046;C=CC(N)C#CC(=C)C;NDMDTDSHFYUBKM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146047;MM146047;C=CC(N)C#CC(=N)N;ZEISYFVGLRXGFF-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146048;MM146048;C=CC(O)C#CC(=C)C;JVLPZUHQSFGLHM-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146049;MM146049;C=C(C)C#CC(O)C=O;XPCFOEHMTXLBNC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146050;MM146050;C=CC(O)C#CC(C)=O;NUPAZACVZGUELR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146051;MM146051;CC(=O)C#CC(O)C=O;COYXCARLPYIHOF-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146052;MM146052;C=CC(O)C#CC(=N)N;OEHVXLVLDQNEKM-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146053;MM146053;N=C(N)C#CC(O)C=O;MUASQJNTWNLSGM-UHFFFAOYSA-N;126.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146054;MM146054;N#CC(O)C#CC(=N)N;OLQDAGSSPFAOMG-UHFFFAOYSA-N;123.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146055;MM146055;C=CC(O)C#CC(N)=O;JXAZDGIYFNUTFK-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146056;MM146056;NC(=O)C#CC(O)C=O;ZJTYIKRERUWMSC-UHFFFAOYSA-N;127.1;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146057;MM146057;N#CC(O)C#CC(N)=O;GGTNJBZXSKWXPX-UHFFFAOYSA-N;124.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146058;MM146058;N=c1ncn(O)c(=O)[nH]1;HSZOUEXJGZAOOB-UHFFFAOYSA-N;128.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP5";;;;;;;-3.09;;-10.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146059;MM146059;CC=C(OC)C(C#N)=NO;NFHSNCZEIQIXKE-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146060;MM146060;C=CC(O)C#CC(=C)F;LOPQUKYKZXCPEW-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146061;MM146061;C=C(F)C#CC(O)C#N;QEVVVOANSGQGQC-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146062;MM146062;C=CC(F)C#CC(=C)C;VODKMUBQXOQWOK-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146063;MM146063;C=C(C)C#CC(F)C=O;CMHCUDYICSBMJS-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146064;MM146064;C=C(C)C#CC(F)C#N;UIYKPYBDUSRZQC-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146065;MM146065;C=CC(F)C#CC(C)=O;IWQCJALAJBCESX-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146066;MM146066;C=CC(F)C#CC(=N)N;AWPZUCKUFWMFMO-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146067;MM146067;N#CC(F)C#CC(=N)N;KNFDEEGWMYGYAR-UHFFFAOYSA-N;125.11;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146068;MM146068;C#CC(C)C#CC(=C)C;KAAMHTSNGGXJEO-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146069;MM146069;C#CC(C)C#CC(C)=O;GSSCUUHPRCLMND-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146070;MM146070;C#CC(C)C#CC(N)=O;YLBMQSHTXKCFBQ-UHFFFAOYSA-N;121.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146071;MM146071;C#CC(C)C#CC(=O)O;JKLUSMXTOPDXRG-UHFFFAOYSA-N;122.12;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146072;MM146072;C#CC(C)C#CC(=C)F;FFCAFLJSHWUCQJ-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146073;MM146073;C#CC(N)C#CC(=N)N;XJSHCJWKJULWFA-UHFFFAOYSA-N;121.14;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146074;MM146074;C#CC(O)C#CC(=C)C;QEPVLIWPNPEFKO-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146075;MM146075;C#CC(O)C#CC(N)=O;NEQIDVKLCRLKKW-UHFFFAOYSA-N;123.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146076;MM146076;C#CC(O)C#CC(=C)F;XTWCRWBYDRXDQL-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146077;MM146077;C#CC(F)C#CC(=C)C;COFCAKMJNZHHQL-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146078;MM146078;C#CC(F)C#CC(C)=O;YAKUJWPABSKUTK-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146079;MM146079;C#CC(F)C#CC(=O)O;JZYLFBZPMBNKSI-UHFFFAOYSA-N;126.09;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146080;MM146080;C#CC(F)C#CC(=C)F;ZPXPQEQRZRCMIF-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146081;MM146081;C=C(C#CC(C)C)CC;ZNFUQUZJAOGASC-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146082;MM146082;C=C(C#CC(C)C)CN;OCRYMGWNOCDJHS-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146083;MM146083;C=C(C#CC(C)C)CO;HVLGFEHOSVIZAG-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146084;MM146084;C=C(C#CC(C)C)CF;CVXMZQCXBNDNMA-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146085;MM146085;C=C(C#CC(C)N)CC;VPOYEVAFKNKJLC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146086;MM146086;C=C(C#CC(C)O)CC;ZJOHVLOKFNNSBQ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146087;MM146087;C=C(C#CC(C)F)CC;YMUPDKNFCSNFRH-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146088;MM146088;C=C(C#CC(C)F)CN;NCIUXNBUMIAGQJ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146089;MM146089;C=C(C#CC(C)F)CF;VZBWCYJSHBADPM-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146090;MM146090;C=C(C#CC(F)F)CC;UAIHRFIGDAZEMX-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146091;MM146091;C=C(C#CC(F)F)CN;UHHHSTFJAKTQIZ-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146092;MM146092;C=C(C#CC(F)F)CF;IVYCPQPASQNKKN-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146093;MM146093;CCC(=O)C#CC(C)C;MZPFPGCCDUOJPM-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146094;MM146094;CC(C)C#CC(=O)CF;WLRVTNKYZAVUSZ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146095;MM146095;CC(O)C#CC(=O)CO;GXDREMRQRYBVBH-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146096;MM146096;CCC(=O)C#CC(C)F;USPKXYOSHZLUOS-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146097;MM146097;CC(F)C#CC(=O)CO;LEGLTLNCUDXTJV-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146098;MM146098;CC(F)C#CC(=O)CF;QNQYRJYFVDIFKJ-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146099;MM146099;CCC(=O)C#CC(F)F;FQSGEERKZMLDJQ-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146100;MM146100;CNC(=N)C#CC(C)N;QWKAUTLZPDKSPW-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146101;MM146101;CC(O)C#CC(=N)NN;OJWJJUPBJXXPIY-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146102;MM146102;CC(C)C#CC(=O)NN;GRMJNEFISFTBOD-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146103;MM146103;CNC(=O)C#CC(C)N;CRSYOXYXHZPCSZ-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146104;MM146104;CNC(=O)C#CC(C)O;WQIDXIQALZSWDH-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146105;MM146105;CC(O)C#CC(=O)NN;DLWKWDSASYAUBO-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146106;MM146106;CC(O)C#CC(=O)NO;VQUDCNAYAJJNAL-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146107;MM146107;CC(F)C#CC(=O)NN;CKFPYZPBXJESBA-UHFFFAOYSA-N;130.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146108;MM146108;C=C(C#CC(C)C)OC;IDALQAXXZANEDA-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146109;MM146109;C=C(C#CC(C)F)OC;GPAOZFZYVNOMOO-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146110;MM146110;C=C(C#CC(F)F)OC;IBDITRUOINYGHM-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146111;MM146111;COC(=O)C#CC(C)C;FAXBYZVWLRYYIY-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146112;MM146112;COC(=O)C#CC(C)F;NALXHFKXQQMQED-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146113;MM146113;C=CC(=C)C#CC(C)C;CKONUMSHMYVMLJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146114;MM146114;C=C(C#CC(C)C)C=O;IIEDBSMLXIUPJF-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146115;MM146115;C=C(C#N)C#CC(C)C;JLLJDGQCBSIRPI-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146116;MM146116;C=CC(=C)C#CC(C)N;AGVWPXBBYPNJHO-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146117;MM146117;C=CC(=C)C#CC(C)O;OERJIRGPCVIMEB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146118;MM146118;C=C(C#N)C#CC(C)O;CUNSCALRYBRTBB-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146119;MM146119;C=CC(=C)C#CC(C)F;PKOZCDZPVMIMGG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146120;MM146120;C=C(C#CC(C)F)C=O;JSFKAYYDJLPTIS-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146121;MM146121;C=C(C#N)C#CC(C)F;OKFLTSVPXJOSFS-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146122;MM146122;C=CC(=C)C#CC(F)F;ISHMBESEJDIMOH-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146123;MM146123;C=C(C#CC(F)F)C=O;XHYQNQMOQNCTJR-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146124;MM146124;C=C(C#N)C#CC(F)F;GOCNIPBIHIRSOG-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146125;MM146125;C=CC(=O)C#CC(C)C;DKGGITPTNNPCDV-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146126;MM146126;CC(C)C#CC(=O)C=O;GJCDSWBCLNUEDH-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146127;MM146127;CC(C)C#CC(=O)C#N;XYPUDWYUOIIGRC-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146128;MM146128;CC(O)C#CC(=O)C=O;LYUPPIUVFYFINM-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146129;MM146129;CC(F)C#CC(=O)C=O;GNSGARBDROVOQO-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146130;MM146130;CC(F)C#CC(=O)C#N;PHOOYNOAIWHMMC-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146131;MM146131;C=CC(=O)C#CC(F)F;BWUJLQQRSBNHFS-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146132;MM146132;O=CC(=O)C#CC(F)F;SCRYNPKORRNSKP-UHFFFAOYSA-N;132.07;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146133;MM146133;N#CC(=O)C#CC(F)F;AUFXNHINPYGJNK-UHFFFAOYSA-N;129.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146134;MM146134;C#CC(=C)C#CC(C)C;DEIYBBXVJMNQPF-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146135;MM146135;C#CC(=C)C#CC(C)N;AKNSEHAPGBXWBI-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146136;MM146136;C#CC(=C)C#CC(C)O;XVIXGTUUBRQPGT-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146137;MM146137;C#CC(=C)C#CC(C)F;RZSYOUYGVATNBN-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146138;MM146138;C#CC(=C)C#CC(F)F;ZSBMZAOSAJCLAD-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146139;MM146139;C#CC(=O)C#CC(C)C;CWUWOYHRWKUTFE-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146140;MM146140;C#CC(=O)C#CC(C)F;VYNSHNAZNYQHOT-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146141;MM146141;C#CC(=O)C#CC(F)F;CDDPIXCMPKRPPP-UHFFFAOYSA-N;128.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146142;MM146142;C=C(C)C#CC(=C)CC;OLIGJRVDXCVPHC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146143;MM146143;C=C(C)C#CC(=C)CN;SNGNJURYZNSYTI-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146144;MM146144;C=C(C)C#CC(=C)CO;FSPOKFSIJMJGPQ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146145;MM146145;C=C(C)C#CC(=C)CF;RXABFTWUARGSJA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146146;MM146146;C=C(C#CC(C)=O)CC;QSSGONDKBAMQHI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146147;MM146147;C=C(C#CC(C)=O)CF;XYAFFOPAROJGHW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146148;MM146148;C=C(C#CC(=N)N)CN;RWENLXNCGZIUHH-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146149;MM146149;C=C(C#CC(=N)N)CO;LHHHVYASQTVEKV-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146150;MM146150;C=C(C#CC(N)=O)CN;FAHVISMTTNXLHW-UHFFFAOYSA-N;124.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146151;MM146151;C=C(C#CC(N)=O)CO;UYVNIPDEXTWCJK-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146152;MM146152;C=C(C#CC(N)=O)CF;DTBNTFFBQITXMQ-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146153;MM146153;C=C(C#CC(=O)O)CC;FREUIWHHHAHBCW-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146154;MM146154;CCC(=O)C(CO)=NO;UOVHNFPXLCKFAO-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146155;MM146155;C=C(C#CC(=O)O)CF;FWLJZRHLPOAXPB-UHFFFAOYSA-N;128.1;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146156;MM146156;C=C(F)C#CC(=C)CC;YVRBKQFYPNWYNL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146157;MM146157;C=C(F)C#CC(=C)CN;ATOZBCUMQJDOKV-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146158;MM146158;C=C(F)C#CC(=C)CF;SFLYDGIYCQUBAP-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146159;MM146159;C=C(C)C#CC(=O)CC;GBFNVCUQAKBDSU-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146160;MM146160;C=C(C)C#CC(=O)CF;SULKMKSGLQQPKK-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146161;MM146161;CCC(=O)C#CC(C)=O;UIABSJCWXBINEQ-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146162;MM146162;CC(=O)C#CC(=O)CO;BVQILEDGHHOLBQ-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146163;MM146163;N=C(N)C#CC(=O)CO;ONIFKSYRZURBGA-UHFFFAOYSA-N;126.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146164;MM146164;N=C(N)C#CC(=O)CF;FKCXUNFCLIHVNL-UHFFFAOYSA-N;128.11;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146165;MM146165;CCC(=O)C#CC(N)=O;RNDBQGROKKAIDE-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146166;MM146166;NC(=O)C#CC(=O)CO;WFEPQTDXLPNGSV-UHFFFAOYSA-N;127.1;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146167;MM146167;NC(=O)C#CC(=O)CF;QXCBMGFALXAZIF-UHFFFAOYSA-N;129.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146168;MM146168;CC=Cc1nn[nH]n1;LIXGZTCKAZKTPB-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146169;MM146169;C=C(F)C#CC(=O)CC;XMAGGSKQXYCTBU-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146170;MM146170;C=C(OC)N(N)C(=O)NN;JQAQIYQMRLSEHZ-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146171;MM146171;CNC(=N)C#CC(=N)N;CURAUXONTZVXHF-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146172;MM146172;N=C(N)C#CC(=N)NN;WPAAIZVMZKGFLM-UHFFFAOYSA-N;125.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146173;MM146173;N=C(N)C#CC(=N)NO;TYRUYDMNJVTYMD-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146174;MM146174;CCNNC(=O)N(C)C=O;BITCSVPNLBDDNQ-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146175;MM146175;C=C(OCOC)C(=O)NN;QSELGXHSYJNFIL-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146176;MM146176;Cn1c(O)c(F)oc1=NO;WKYNASQXESBUOL-UHFFFAOYSA-N;148.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146177;MM146177;CC(=O)C#CC(=O)NO;PZJKXNMOAULMSU-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146178;MM146178;CNC(=O)C#CC(=N)N;VGOZQGYEBZNHRH-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146179;MM146179;N=C(N)C#CC(=O)NN;IVXBGWSWWOHIER-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146180;MM146180;N=C(N)C#CC(=O)NO;HOYOJBWTHKITTL-UHFFFAOYSA-N;127.1;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146181;MM146181;CNC(=O)C#CC(N)=O;XRWCNIRFQKHLJO-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146182;MM146182;NNC(=O)C#CC(N)=O;KSGCIYSQWCVAKU-UHFFFAOYSA-N;127.1;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146183;MM146183;NC(=O)C#CC(=O)NO;SXOADMGSNIMHMP-UHFFFAOYSA-N;128.09;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146184;MM146184;C=Cc1nnc(O)n1O;VABCEUQKHSEBPL-UHFFFAOYSA-N;127.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146185;MM146185;Cc1noc(=O)c(O)c1C;GRJXLSNAFCUPQZ-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146186;MM146186;O=c1[nH][nH]c(=NO)o1;OQKOPJWHQNJKFE-UHFFFAOYSA-N;117.06;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146187;MM146187;C=C(F)C#CC(=O)NC;RTYAHWARZNKMMU-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146188;MM146188;C=C(C)C#CC(=C)OC;FDONPAZFIFPTBT-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146189;MM146189;C=C(C#CC(C)=O)OC;MNPNSRCKTDKUFA-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146190;MM146190;C=Cc1c[nH]nc1O;LWSNGPCRRGXIDD-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146191;MM146191;C=C(F)C#CC(=C)OC;HMTFAPOHNWHDHT-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146192;MM146192;C=C(C)C#CC(=O)OC;YHDDDMVGGYHVFA-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146193;MM146193;C=C(F)C#CC(=O)OC;JUNHVCZTQNGYFU-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146194;MM146194;C=CC(=C)C#CC(=C)C;GTJPENHOUXCGGM-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146195;MM146195;C=C(C)C#CC(=C)C=O;KFVSATFGJGJUIG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146196;MM146196;C=C(C)C#CC(=C)C#N;VMKWIPRDIOWUOX-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146197;MM146197;C=CC(=C)C#CC(C)=O;BMEHUXFSWVBGCO-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146198;MM146198;C=C(C#N)C#CC(C)=O;UBVPXMKLYMWEID-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146199;MM146199;C=C(C#CC(=N)N)C=O;PXOGFKBXKPYHJE-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146200;MM146200;C=CC(=C)C#CC(N)=O;CLYYPICMNAPWPX-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146201;MM146201;C=CC(=C)C#CC(=O)O;COLJJSAFYVAGPX-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146202;MM146202;C=C(C#N)C#CC(=O)O;GNWUAEAEWNNDME-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146203;MM146203;C=CC(=C)C#CC(=C)F;OAZJPTOBUBRFER-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146204;MM146204;C=C(F)C#CC(=C)C=O;XUBHNLBJEFWCSM-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146205;MM146205;C=C(F)C#CC(=C)C#N;GJHSBHWHQVWWRD-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146206;MM146206;C=CC(=O)C#CC(=C)C;GEDGMVHMDCQRLE-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146207;MM146207;C=C(C)C#CC(=O)C#N;CKIUQGQENAPKPC-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146208;MM146208;C=CC(=O)C#CC(=N)N;MTWUGAZCHMTBTK-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146209;MM146209;N=C(N)C#CC(=O)C=O;OPOUMYZHXPWEDW-UHFFFAOYSA-N;124.1;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146210;MM146210;N#CC(=O)C#CC(=N)N;QZWJERXJRYIQAL-UHFFFAOYSA-N;121.1;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146211;MM146211;NC(=O)C#CC(=O)C=O;GFMINHIOHGRVRH-UHFFFAOYSA-N;125.08;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146212;MM146212;N#CC(=O)C#CC(N)=O;RWZWTZHINJIJIS-UHFFFAOYSA-N;122.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146213;MM146213;N#CC(=O)C#CC(=O)O;BCIFCGVLPDCFTL-UHFFFAOYSA-N;123.07;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146214;MM146214;C=CC(=O)C#CC(=C)F;BQPFWLWYZWAUCP-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146215;MM146215;C=C(F)C#CC(=O)C=O;YPXVAFZLXCNWKS-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146216;MM146216;C=C(F)C#CC(=O)C#N;KCLNTNVBDZFFFG-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146217;MM146217;C#CC(=C)C#CC(=C)C;KNZFOLLFFKDOQR-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146218;MM146218;C#CC(=C)C#CC(C)=O;FSEAXSOQHPQHLL-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146219;MM146219;C#CC(=C)C#CC(=N)N;HZGOVVNUKMKOPM-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146220;MM146220;C#CC(=C)C#CC(N)=O;PFTXTSNNMQJQPK-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146221;MM146221;C#CC(=C)C#CC(=O)O;TXGBABNKZXJYDC-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146222;MM146222;C#CC(=C)C#CC(=C)F;HWBCMZSHDPPLRD-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146223;MM146223;C#CC(=O)C#CC(=C)C;KVWRZVQUBMHVDY-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146224;MM146224;C#CC(=O)C#CC(C)=O;KKIWYQOVHFUXOQ-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146225;MM146225;C#CC(=O)C#CC(N)=O;DRMOMJOBCXWXJT-UHFFFAOYSA-N;121.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146226;MM146226;C#CC(=O)C#CC(=C)F;XFCMMEAOIBUIIB-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146227;MM146227;CC=C(C)C#CC(C)C;ADPVMMAXOSRWOH-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146228;MM146228;CC(C#CC(C)C)=CF;VFFGRRFRZGFOIC-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146229;MM146229;CC=C(C)C#CC(C)N;CWHSDKHJWWQSKT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146230;MM146230;CC=C(C)C#CC(C)O;JKKKRFPEGHFAOV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146231;MM146231;CC=C(C)C#CC(C)F;STWRBUYHOFZHRL-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146232;MM146232;CC(C#CC(C)F)=CF;UYHGQAIVLGQDOD-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146233;MM146233;CC=C(C)C#CC(F)F;NCYUYJLRIPDLKH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146234;MM146234;CC(C#CC(F)F)=CF;JXIHHWAILIURIG-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146235;MM146235;CC=C(F)C#CC(C)C;YAMZTQGTDAGGRY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146236;MM146236;CC(C)C#CC(F)=CF;LMQVNDLUOBMVBZ-UHFFFAOYSA-N;130.14;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146237;MM146237;CC=C(F)C#CC(C)N;ZYYUGPYFSCGFIP-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146238;MM146238;CC(N)C#CC(F)=CF;JWTVJXAPRLIJKQ-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146239;MM146239;CC(O)C#CC(F)=CF;WZZGXDLAAHKNQA-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146240;MM146240;CC=C(F)C#CC(C)F;JQDLFPGXZKBTPS-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146241;MM146241;CC(F)C#CC(F)=CF;QHRZPRJAXPGSTK-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146242;MM146242;CC=C(F)C#CC(F)F;LVHIGWXQQKRRIT-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146243;MM146243;FC=C(F)C#CC(F)F;XPRMBCSIUPRMON-UHFFFAOYSA-N;138.06;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146244;MM146244;CC(C#CC(C)C)=NN;ONNSHEPQTHQTIK-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146245;MM146245;CC(C#CC(C)C)=NO;DMCCRBISFLZISK-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146246;MM146246;CC(C#CC(C)F)=NO;ATTNAVAEDCTFGU-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146247;MM146247;CON=CC(C)C(O)C#N;ABAQSVRNZPJSAB-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146248;MM146248;CC(C#CC(F)F)=NO;UPEMSXBLECYREE-UHFFFAOYSA-N;133.1;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146249;MM146249;C=C(C)C#CC(C)=CC;VRTGLSCBAPPJSZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146250;MM146250;C=C(C)C#CC(C)=CF;VFHHYCJFTQSEGK-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146251;MM146251;CC=C(C)C#CC(C)=O;KVNQIWXAGSIGGO-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146252;MM146252;CC(=O)C#CC(C)=CF;QCLULARVKWPSJN-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146253;MM146253;CC=C(C)C#CC(=O)O;INSGGEVCYBATRC-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146254;MM146254;CC(C#CC(=O)O)=CF;FBCGLUFYBDYRHC-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146255;MM146255;C=C(F)C#CC(C)=CC;PZGCIBGLXRXDAM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146256;MM146256;C=C(F)C#CC(C)=CF;XDQYECMMAPYPLT-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146257;MM146257;C=C(C)C#CC(F)=CC;WTHMJYIPSANZSO-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146258;MM146258;C=C(C)C#CC(F)=CF;ZHJSDDDKIAJKBB-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146259;MM146259;CC=C(F)C#CC(C)=O;TWCATSVZDWMXCY-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146260;MM146260;CC(=O)C#CC(F)=CF;OKQCIEOAGXIBIB-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146261;MM146261;CC=C(F)C#CC(=O)O;CAZQNHVMWKXQRF-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146262;MM146262;O=C(O)C#CC(F)=CF;QCDRSGSRWSCMLJ-UHFFFAOYSA-N;132.07;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146263;MM146263;C=C(F)C#CC(F)=CC;BUHLWSPCRQAHRI-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146264;MM146264;C=C(F)C#CC(F)=CF;CBUJVQITJFUKOS-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146265;MM146265;C=C(C)C#CC(C)=NO;IJBZHJSQYLDVDO-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146266;MM146266;CC(C#CC(N)=O)=NO;DAJSOWMYDLILBB-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146267;MM146267;C=C(F)C#CC(C)=NN;IABRJCCBZAPALK-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146268;MM146268;C=C(F)C#CC(C)=NO;JTLQOMOZMGAVDK-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146269;MM146269;CCC(C)CC=C(C)C;CYPDWFIYJZLVGL-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146270;MM146270;CC(C)=CCC(C)CN;LOPLTIHDFYCLHA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146271;MM146271;CON=CCNC(=O)CF;BMFNLZCHPNLWKC-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146272;MM146272;CC(C)=CCC(C)CF;ZQMJTRXCLXIHHX-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146273;MM146273;CCC(C)CC=C(C)F;VICAIUZUPGSFLB-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146274;MM146274;CC(F)=CCC(C)CN;JTJVRWLQSISDDQ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146275;MM146275;CC(F)=CCC(C)CF;TTYGKMAWZYVWGP-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146276;MM146276;CCC(C)CC=C(F)F;RISVRIZLAGNDFH-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146277;MM146277;CC(CN)CC=C(F)F;HUHHMKMSCZXWJM-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146278;MM146278;CCC(N)CC=C(C)C;XZZWBXJTOGMHOG-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146279;MM146279;CC(C)=CCC(N)CF;VOGWMPFCBXURSV-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146280;MM146280;CCC(N)CC=C(C)F;YBVGGYZGTHDKAP-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146281;MM146281;CC(F)=CCC(N)CN;URPAIMFWQZIRIX-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146282;MM146282;CC(F)=CCC(N)CF;GDFAMEDVFFVUQZ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146283;MM146283;CCC(N)CC=C(F)F;OZKBLZGTUHVGCG-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146284;MM146284;C=CC=CC(=NO)N(C)N;DBJUKNBZFPHEIA-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146285;MM146285;CC(C)=CCC(O)CF;UWRDBNSGLMPIKT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146286;MM146286;CCC(O)CC=C(C)F;FUPINKKGJPRNJN-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146287;MM146287;CC(F)=CCC(O)CF;VNHPHQOKVNPOCY-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146288;MM146288;CCC(O)CC=C(F)F;IQFBDUQNNHIBLP-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146289;MM146289;OC(CF)CC=C(F)F;BJVXFQFSZIIFCT-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146290;MM146290;CCC(F)CC=C(C)C;YLKYCXVHYWREEV-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146291;MM146291;CC(C)=CCC(F)CO;RJEVIUUOQAHZMR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146292;MM146292;CC(C)=CCC(F)CF;MNEQRKCCZTWHBR-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146293;MM146293;CCC(F)CC=C(C)F;QNMWRTISQUWBQJ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146294;MM146294;CC(F)=CCC(F)CN;DATIGZHLVUCLAE-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146295;MM146295;CC(F)=CCC(F)CF;CHVFMUNPZZBPTL-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146296;MM146296;CCC(F)CC=C(F)F;DXILWEBHWFYSBY-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146297;MM146297;NCC(F)CC=C(F)F;PJQTUBCSMRUATE-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146298;MM146298;OCC(F)CC=C(F)F;FUVDGZGEIPWWDN-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146299;MM146299;CNC(C)CC=C(C)C;USGJLFQRSFLZNT-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146300;MM146300;CNC(C)CC=C(C)F;VIRLDUZOFJCQIG-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146301;MM146301;CNC(C)CC=C(F)F;TXWXIGCPMPAZKK-UHFFFAOYSA-N;135.16;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146302;MM146302;COC(C)CC=C(C)C;KECXPKWPKPOPOI-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146303;MM146303;COC(C)CC=C(C)F;URCFIMXWWNEVSR-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146304;MM146304;COC(C)CC=C(F)F;RJGRXKNUPYYNJG-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146305;MM146305;CCC(C)NN=C(C)C;UEKDUVDTRBPHLI-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146306;MM146306;CC(C)=COC(C)CO;CSLBSXQUHNOLAB-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146307;MM146307;CCC(C)OC=C(C)F;AOUHAUXRJJLNGY-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146308;MM146308;CC(F)=COC(C)CN;RGPCADAFWNGYNR-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146309;MM146309;CC(F)=COC(C)CO;NOHVKKSRVWELSN-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146310;MM146310;CCC(C)OC=C(F)F;DBHQVBNNKWIQRS-UHFFFAOYSA-N;136.14;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146311;MM146311;CC(CO)OC=C(F)F;WGMPQIGVVKTCHS-UHFFFAOYSA-N;138.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146312;MM146312;COC(C)OC=C(C)C;GLHVJNCVQDXDMU-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146313;MM146313;COC(C)OC=C(C)F;GCYIWJUVASCKOQ-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146314;MM146314;COC(C)OC=C(F)F;RWUAMJMXEZJDTN-UHFFFAOYSA-N;138.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146315;MM146315;CC(C)=NOC(C)CN;VUFBMAALFFRLRU-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146316;MM146316;COC(C)ON=C(C)C;MRJGBXHZSSEHOW-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146317;MM146317;CCN(C)CC=C(C)C;FNNNISUKTJVVNF-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146318;MM146318;CCN(C)CC=C(C)F;ZAJXADXCKMLQJQ-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146319;MM146319;C=CC(C)CC=C(C)C;JNUKYTOGXQONSJ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146320;MM146320;CC(C)=CCC(C)C=O;NTPNJYFKMSTHQR-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146321;MM146321;CC(C)=CCC(C)C#N;KMLGVVKSNKJJSB-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146322;MM146322;C=CC(C)CC=C(C)F;CFJGISDRVQLXNR-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146323;MM146323;CC(F)=CCC(C)C=O;QFZXXBZUYYJTIP-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146324;MM146324;CC(F)=CCC(C)C#N;HYABAWGUTKCNMO-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146325;MM146325;C=CC(C)CC=C(F)F;OJOSVVOAONKHOY-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146326;MM146326;CC(C=O)CC=C(F)F;BWZJEDYBBFWJFO-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146327;MM146327;CC(C#N)CC=C(F)F;RKQPKUMHPSNUAL-UHFFFAOYSA-N;131.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146328;MM146328;C=CC(N)CC=C(C)C;YTHTZRZJNCMDNQ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146329;MM146329;C=CC(N)CC=C(C)F;WXQZLXDALZFILF-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146330;MM146330;C=CC(N)CC=C(F)F;HFYYETZXKAQOAC-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146331;MM146331;CC=Cc1nc(CF)c[nH]1;ISIJFBOGEAKXEB-UHFFFAOYSA-N;140.16;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146332;MM146332;CC(C)=CCC(O)C#N;VPGRZSHZMQPPOZ-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146333;MM146333;C=CC(O)CC=C(C)F;BTXZSCVPKCBAMW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146334;MM146334;CC(F)=CCC(O)C#N;JFZWXJRFIOWZOQ-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146335;MM146335;N#CC(O)CC=C(F)F;QDPWEIRVXZMYAJ-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146336;MM146336;C=CC(F)CC=C(C)C;BGGUDUINJBVOQR-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146337;MM146337;CC(C)=CCC(F)C#N;SRVYYHWWDWNCGK-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146338;MM146338;C=CC(F)CC=C(C)F;ROOADISTDVPJED-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146339;MM146339;CC(F)=CCC(F)C=O;HPRRIEVAAZVVSB-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146340;MM146340;CC(F)=CCC(F)C#N;QXDQWUZVEUCVTM-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146341;MM146341;C=CC(C)OC=C(C)C;SVFVIVVZOBZXJO-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146342;MM146342;CC(C)=COC(C)C#N;OWDYBQJICRTBGA-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146343;MM146343;C=CC(C)OC=C(C)F;TVJUFODZKOOKLC-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146344;MM146344;CC(F)=COC(C)C=O;PNGTVMYTMNVYOJ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146345;MM146345;C=CC(C)OC=C(F)F;FVHLTIZGXHDHQD-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146346;MM146346;CC(C#N)OC=C(F)F;ULPXHKIHFXFTBC-UHFFFAOYSA-N;133.1;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146347;MM146347;C=CC(C)ON=C(C)C;STMBAICSOUQJSO-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146348;MM146348;CC(C)=CCN(C)C=N;SPFCWZCQKPFVLR-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146349;MM146349;CC(C)=CCN(C)C=O;RHQPNSCHKLKQLK-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146350;MM146350;CC(F)=CCN(C)C=N;JIGLYIRLRWFEOW-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146351;MM146351;CC(F)=CCN(C)C=O;WCVVPMAYRNYUNJ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146352;MM146352;C=NN(C)CC=C(C)C;RSRBZFZUBQGBCX-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146353;MM146353;C=NN(C)CC=C(C)F;OZJDAQKGJRCLGT-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146354;MM146354;C=NN(C)CC=C(F)F;IDLVZKHJDNLYGO-UHFFFAOYSA-N;134.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146355;MM146355;C#CC(C)CC=C(C)C;DULFOSBTHUTGMQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146356;MM146356;C#CC(C)CC=C(C)F;IRGJRSURYDCEBY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146357;MM146357;C#CC(C)CC=C(F)F;ZLGBNFJSPXCMJU-UHFFFAOYSA-N;130.14;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146358;MM146358;C#CC(N)CC=C(C)C;SELRZXKINZXGQO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146359;MM146359;C#CC(N)CC=C(C)F;LMPDICBSFBIYJR-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146360;MM146360;C#CC(N)CC=C(F)F;VGTDNAYQZGZUDP-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146361;MM146361;C#CC(O)CC=C(C)C;POIOMGRWSUXEMR-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146362;MM146362;C#CC(O)CC=C(C)F;DTLSEFGXARDPQH-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146363;MM146363;C#CC(F)CC=C(C)C;NKAYFKVCJXUZMW-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146364;MM146364;C#CC(F)CC=C(C)F;XSUZYIGMEXWMQA-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146365;MM146365;C#CC(C)NN=C(C)C;LEAILBXIIGVESP-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146366;MM146366;C#CC(C)OC=C(C)C;WBSMCMGMUUNNDP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146367;MM146367;C#CC(C)OC=C(C)F;LIFYVXSLRXWTDN-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146368;MM146368;C#CC(C)OC=C(F)F;XDYXILZDPYLQLJ-UHFFFAOYSA-N;132.11;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146369;MM146369;C#CC(C)ON=C(C)C;BYYHNVCUHTZNCK-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146370;MM146370;C=C(CC)CC=C(C)C;OPWITBJRLIMAOK-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146371;MM146371;C=C(CN)CC=C(C)C;VYIKBCKXHGEUMN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146372;MM146372;C=C(CO)CC=C(C)C;FHNVFAPYEHSMHM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146373;MM146373;C=C(CF)CC=C(C)C;DYYVTFNTVUGTAX-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146374;MM146374;C=C(CC)CC=C(C)F;QMFBRLMUTRFZKV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146375;MM146375;C=C(CO)CC=C(C)F;RUAHNXVZMQPEIT-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146376;MM146376;C=C(CF)CC=C(C)F;MQTAJHUHKLXYPO-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146377;MM146377;C=C(CC)CC=C(F)F;OSVOVSGVVBMSPU-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146378;MM146378;C=C(CN)CC=C(F)F;HJWBVJRKKYUVPN-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146379;MM146379;C=C(CF)CC=C(F)F;OFWVGKOQBWYNSZ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146380;MM146380;CCC(=O)CC=C(C)C;RHAVXGQNJASKJW-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146381;MM146381;CC(C)=CCC(=O)CF;HQEDQCRBKHCRHH-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146382;MM146382;CCC(=O)CC=C(C)F;NWGVAHIQCOUQGA-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146383;MM146383;CC(F)=CCC(=O)CF;LJYYIDVKPCJGCP-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146384;MM146384;CCC(=O)CC=C(F)F;RSQAJIULPDSYKA-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146385;MM146385;O=C(CF)CC=C(F)F;RUNXPMYPOPXQPZ-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146386;MM146386;CNC(=N)CC=C(C)C;UQGFWUNWHNXNHR-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146387;MM146387;CC(C)=CCC(=N)NN;DGKCZCXULVKWPV-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146388;MM146388;CNC(=N)CC=C(C)F;ONMAXLNERABJLT-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146389;MM146389;N=C(CC=C(F)F)NN;FEVODCCOLLDXSI-UHFFFAOYSA-N;135.12;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146390;MM146390;N=C(CC=C(F)F)NO;NSHCBYWVUFBCEI-UHFFFAOYSA-N;136.1;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146391;MM146391;C=NOC1CC1C(O)C#N;CWCVFLNPMXAKDZ-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146392;MM146392;N#CC1CC1CNNC=O;ADVAFLGXXHFFFH-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146393;MM146393;CC(C)=CCC(=O)NO;BATRCYUXVUYZFQ-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146394;MM146394;CNC(=O)CC=C(C)F;FPJOJTORDPQLDQ-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146395;MM146395;O=C(CC=C(F)F)NO;ZGQJPUOQWZIKIA-UHFFFAOYSA-N;137.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146396;MM146396;C=C(CC=C(C)C)OC;ZJYJQRALTORNMX-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146397;MM146397;C=C(CC=C(C)F)OC;CBMBOWXGGQTTGT-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146398;MM146398;C=C(CC=C(F)F)OC;XYFSDURFWJAHGF-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146399;MM146399;COC(=O)CC=C(C)C;UBZQAEZHQYZZJG-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146400;MM146400;COC(=O)CC=C(C)F;SBUUNSXTZWIQEW-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146401;MM146401;CCC(=N)NC=C(C)C;GLTXIQAZPCOHAS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146402;MM146402;CCC(=N)NC=C(C)F;DTPGDRGNIZIMQD-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146403;MM146403;CC(F)=CNC(=N)CN;WFWLKKQXOGQJTR-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146404;MM146404;CC(F)=CNC(=N)CO;BZZZXLZGDUPHFK-UHFFFAOYSA-N;132.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146405;MM146405;CC(F)=CNC(=N)CF;GJTFRUPUILNWLT-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146406;MM146406;CCC(=N)NC=C(F)F;DRNJGZGWZXYKCS-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146407;MM146407;CC(C)=CNC(=O)CO;QAIZXNAEVSIUEC-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146408;MM146408;CC(F)=CNC(=O)CO;CTQPNRIBILELPF-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146409;MM146409;CC(F)=CNC(=O)CF;GASFQSCHIIUFEQ-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146410;MM146410;O=C(CO)NC=C(F)F;STLISMIMBYNWEQ-UHFFFAOYSA-N;137.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146411;MM146411;O=C(CF)NC=C(F)F;FQBVAVRKSFBGMV-UHFFFAOYSA-N;139.08;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146412;MM146412;CNC(=N)NC=C(C)C;YFHYYWGLBWEACN-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146413;MM146413;CNC(=N)NC=C(F)F;HKNOVJOVLXOSOH-UHFFFAOYSA-N;135.12;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146414;MM146414;N=C(NN)NC=C(F)F;WOSQHDYPGFKTPS-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146415;MM146415;OCC1=NNC(NO)=NN1;RBTZHNPKZIHBQQ-UHFFFAOYSA-N;145.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146416;MM146416;CC(F)=CNC(=O)NO;NUKRJWKCUCWZKH-UHFFFAOYSA-N;134.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146417;MM146417;COC(=O)NC=C(C)F;LIFQAKHPOLKCLY-UHFFFAOYSA-N;133.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146418;MM146418;CCC(=O)NN=C(C)C;PXXVMRUCSOSDOB-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146419;MM146419;CC(C)=NNC(=O)CO;KNVWSBDCHQBMDN-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146420;MM146420;CC(C)=NNC(=N)NN;JHIZBSBNAQFIBO-UHFFFAOYSA-N;129.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146421;MM146421;COC(=O)NN=C(C)C;BKFWJZAPCJDHCD-UHFFFAOYSA-N;130.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146422;MM146422;C=C(CC)OC=C(C)C;HNVIYQRAJIWLNU-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146423;MM146423;C=C(CN)OC=C(C)C;GYFPGQHAODYWLE-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146424;MM146424;C=C(CO)OC=C(C)C;VTOPZHYZOFPQDK-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146425;MM146425;C=C(CF)OC=C(C)C;JUYLMVZMSXSJNN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146426;MM146426;C=C(CC)OC=C(C)F;PCEQQQHBGBULNH-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146427;MM146427;C=C(CN)OC=C(C)F;HWMYLCUIDTVWFC-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146428;MM146428;C=C(CO)OC=C(C)F;DTOJPQTWCXOHFH-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146429;MM146429;C=C(CC)OC=C(F)F;VLUKYIFZQXOPQQ-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146430;MM146430;C=C(CO)OC=C(F)F;JHAHPJKYFCGTSB-UHFFFAOYSA-N;136.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146431;MM146431;C=C(CF)OC=C(F)F;FRVRJGSOAJBVMT-UHFFFAOYSA-N;138.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146432;MM146432;CCC(=O)OC=C(C)C;KTPSGINPIXVIEP-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146433;MM146433;CC(C)=COC(=O)CF;LDCIOWNWFDPYSU-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146434;MM146434;CC(F)=COC(=O)CF;WNJJOZCVSLYLRR-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146435;MM146435;CCC(=O)OC=C(F)F;AIHWSWCNJSUVKV-UHFFFAOYSA-N;136.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146436;MM146436;COC(=O)OC=C(C)F;JBASEVQUEPEPHC-UHFFFAOYSA-N;134.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146437;MM146437;COC(=O)OC=C(F)F;LYRONUUERCVEON-UHFFFAOYSA-N;138.07;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146438;MM146438;CC(C)=NOC(=O)CO;NADXKLRAIQNYFF-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146439;MM146439;C=CC(=C)CC=C(C)C;YXDCKGMKMIGWKJ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146440;MM146440;C=C(C=O)CC=C(C)C;DUUHRVFUBWSKJU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146441;MM146441;C=C(C#N)CC=C(C)C;JAFHHQHCFLGLAA-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146442;MM146442;C=CC(=C)CC=C(C)F;DXLAPUUNWOAKGV-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146443;MM146443;C=C(C=O)CC=C(C)F;ICKVZJMROPYLCI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146444;MM146444;C=C(C#N)CC=C(C)F;QRVZZIJWGDGECF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146445;MM146445;C=CC(=C)CC=C(F)F;KWQGIMQOUQDVEO-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146446;MM146446;C=C(C#N)CC=C(F)F;NHOPPRDQJPTUFB-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146447;MM146447;C=CC(=O)CC=C(C)C;IYFOTWOTWXCOEN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146448;MM146448;CC(C)=CCC(=O)C=O;CGWCIBPMFMJSBI-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146449;MM146449;CC(C)=CCC(=O)C#N;VQOAKMOUTJSMGX-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146450;MM146450;C=CC(=O)CC=C(C)F;RTIAKZMDFZVYSM-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146451;MM146451;CC(F)=CCC(=O)C=O;JSWFFSCSMLIALR-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146452;MM146452;CC(F)=CCC(=O)C#N;XEHWLKKWIMBNIR-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146453;MM146453;N#CC(=O)CC=C(F)F;MMOFSDYRJWGEJD-UHFFFAOYSA-N;131.08;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146454;MM146454;C=CC(=N)NC=C(C)C;JZDWHRTVSCVSCC-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146455;MM146455;CC(C)=CNC(=N)C#N;AYCMSRVEZSJYGD-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146456;MM146456;C=CC(=N)NC=C(C)F;AYOSLUYHEMKWCM-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146457;MM146457;CCC1=NNC(NC)=NO1;FHIVELGFSGBZAA-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146458;MM146458;C=CC(=N)NC=C(F)F;RTAMYTIAVCXUKD-UHFFFAOYSA-N;132.11;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146459;MM146459;CCC(F)=CC(=O)NN;DAUFRHKZSGCLMK-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146460;MM146460;C=CC(=O)NC=C(C)C;XHMIAWCJEGBTCG-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146461;MM146461;CC(C)=CNC(=O)C=O;QXVMPSNRRHNLSV-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146462;MM146462;CC(C)=CNC(=O)C#N;TWNJSVULOWAILG-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146463;MM146463;C=CC(=O)NC=C(C)F;RCUZWJIWGGJEMU-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146464;MM146464;CC(F)=CNC(=O)C=O;INQJUPYWZPZJKT-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146465;MM146465;CC(F)=CNC(=O)C#N;OQTCSHFVKIRMJK-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146466;MM146466;C=CC(=O)NN=C(C)C;REAXDGFGVMHWEV-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146467;MM146467;CC(C)=NNC(=O)C=O;MVHASVIQHUHQOQ-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146468;MM146468;C=CC(=C)OC=C(C)C;UDQXVXZRXTXFAC-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146469;MM146469;C=C(C=O)OC=C(C)C;QJLRSPSFPYBRTR-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146470;MM146470;C=C(C#N)OC=C(C)C;SIZVAEXJPTXZNT-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146471;MM146471;C=CC(=C)OC=C(C)F;JSIOFIAZTGVPEM-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146472;MM146472;C=C(C=O)OC=C(C)F;MKLQXVHXKWUCJC-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146473;MM146473;C=C(C#N)OC=C(C)F;JLUYKXNEZDYMLO-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146474;MM146474;C=C(C=O)OC=C(F)F;YZRPOXWCKXPZRE-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146475;MM146475;C=C(C#N)OC=C(F)F;CPNHXMSWJBAXNH-UHFFFAOYSA-N;131.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146476;MM146476;C=CC(=O)OC=C(C)C;SBKXYVIBTSYOEN-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146477;MM146477;CC(C)=COC(=O)C=O;OIFZTUIMWRXWCF-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146478;MM146478;CC(C)=COC(=O)C#N;LMFIJGCLNQJTKT-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146479;MM146479;C=CC(=O)OC=C(C)F;HPHIFEAWMBDWRX-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146480;MM146480;CC(F)=COC(=O)C=O;RHXLZHXLNCWEJF-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146481;MM146481;CC(F)=COC(=O)C#N;ZTYXNMQJMHWQTB-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146482;MM146482;C=CC(=O)OC=C(F)F;PUNGIGCHDXYZLC-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146483;MM146483;C=CC(=O)ON=C(C)C;PUKZMABSDUJDGX-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146484;MM146484;CC(C)=NOC(=O)C#N;LTVPAKMNEHCTNE-UHFFFAOYSA-N;126.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146485;MM146485;C#CC(=C)CC=C(C)C;OEMXAFGSRSNTFL-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146486;MM146486;C#CC(=C)CC=C(C)F;SXKLJMXIDSSYOL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146487;MM146487;C#CC(=C)CC=C(F)F;AFSNMSDOGLFZRK-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146488;MM146488;C#CC(=O)CC=C(C)C;BLKCFAKQQWMOON-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146489;MM146489;C#CC(=O)CC=C(C)F;WCTXOFOKIGXNKJ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146490;MM146490;C#CC(=O)CC=C(F)F;ZMQJEGIABQHYTF-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146491;MM146491;C#CC(=O)NC=C(C)F;BIQCRVUCNPXVBJ-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146492;MM146492;C#CC(=C)OC=C(C)C;QWWPEMSNHWUNFX-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146493;MM146493;C#CC(=C)OC=C(C)F;MIGOCJQODDNFJD-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146494;MM146494;C#CC(=O)OC=C(C)C;KEEPJXBZHXNMKR-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146495;MM146495;C#CC(=O)OC=C(C)F;JJCVEEZCYAJZGR-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146496;MM146496;C#CC(=O)OC=C(F)F;JPNOWUJOQUEBFY-UHFFFAOYSA-N;132.07;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146497;MM146497;CC=C(C)CC=C(C)C;FJORMYLVGAJGKQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146498;MM146498;CC(C)=CCC(C)=CF;MSLLBIGYNDKNSQ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146499;MM146499;CC=C(C)CC=C(C)F;GSUWZYYOCJHUSK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146500;MM146500;CC(F)=CCC(C)=CF;CKVGFYBYVNYIFU-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146501;MM146501;CC=C(C)CC=C(F)F;PFLXLGSGQSGIGH-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146502;MM146502;CC(=CF)CC=C(F)F;RLSXHRMOJTWIKU-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146503;MM146503;CC=C(F)CC=C(C)C;KVHOPWBZCXXGIW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146504;MM146504;CC(C)=CCC(F)=CF;GCACAORVMLPAOW-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146505;MM146505;CC=C(F)CC=C(C)F;MUNREWASARYIHP-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146506;MM146506;FC=C(F)CC=C(F)F;CNMSEXIFNXEURJ-UHFFFAOYSA-N;140.08;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146507;MM146507;CC(C)=CCC(C)=NN;SOUGNZIDXJRIMG-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146508;MM146508;CC(C)=CCC(C)=NO;BWDBAHLRNXKUHL-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146509;MM146509;CC(F)=CCC(C)=NN;XNBBMXSUEFYQJD-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146510;MM146510;CC(F)=CCC(C)=NO;HGOPXZPQJJMAAE-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146511;MM146511;CC(=N)N(N)C(=O)NN;JCQFVRDIPXAXQC-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146512;MM146512;CC(CC=C(F)F)=NO;YUVYANMQEXUZBF-UHFFFAOYSA-N;135.11;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146513;MM146513;CN=C(C)NC=C(C)C;DBRPOXCODUPOHJ-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146514;MM146514;CC(C)=CN=C(C)NN;PIZLBUKQJBTHFZ-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146515;MM146515;CC(C)=CN=C(C)NO;SZBFZKGGOBEGMN-UHFFFAOYSA-N;128.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146516;MM146516;CN=C(C)NC=C(C)F;SUDQALXZLYMWQB-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146517;MM146517;CNc1nc(F)c(N)[nH]1;LTVSJRYBJLJPLZ-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146518;MM146518;CC(=NO)NC=C(F)F;SEUFNNNUSQJOAS-UHFFFAOYSA-N;136.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146519;MM146519;COc1nc(C)c(C)[nH]1;ZOJYKLQXXOJQBJ-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146520;MM146520;CC1NC1C(=O)CC#N;MIRINGAMOYKBRE-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146521;MM146521;CC=C(C)OC=C(C)C;OLRPVCLMWITSOL-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146522;MM146522;CC(C)=COC(C)=CF;JWMSJOYPIKWASH-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146523;MM146523;CC=C(C)OC=C(C)F;XVZSCTPYRWHGHT-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146524;MM146524;CC(F)=COC(C)=CF;LODDUANOYMRAFF-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146525;MM146525;CC=C(C)OC=C(F)F;AMMIKEDJKOGQOI-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146526;MM146526;CC(=CF)OC=C(F)F;XYZQUHLNNNLGBY-UHFFFAOYSA-N;138.09;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146527;MM146527;CNN(C=N)C(=O)NN;ZTSBCZHMIPPDRL-UHFFFAOYSA-N;131.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146528;MM146528;CC(C)=COC(C)=NO;RUPAOQYSBUVSHU-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146529;MM146529;C#CC(C)(C)NC(C)=NO;NCAKNYDQFKHIPN-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146530;MM146530;CC(F)=COC(C)=NO;DFZHBGDFUAKZFU-UHFFFAOYSA-N;133.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146531;MM146531;CC(CC(=O)NN)C(F)F;GHHWMCJRGMRHBJ-UHFFFAOYSA-N;152.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146532;MM146532;CCC(C)=CCC(C)C;IPJHJIXMTIXWRZ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146533;MM146533;CC(=CCC(C)C)CN;PCYDRUXBXGKLLL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146534;MM146534;CC(=CCC(C)C)CO;BKHWEGQEQJGPHH-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146535;MM146535;CCC(C)=CCC(C)N;BQHUHJBOVVVFQT-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146536;MM146536;CC(=CCC(C)N)CF;RIUNVNIMEMAVOJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146537;MM146537;C=C(F)COC(=O)NNC;GRHRYROPBUFNKT-UHFFFAOYSA-N;148.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146538;MM146538;CN(N)C(=O)ONC(N)=O;UWSACBCGYOKBND-UHFFFAOYSA-N;148.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146539;MM146539;CC(=O)NC(=CNN)N=N;XLECMKHIFDWOMC-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146540;MM146540;CCC(C)=CCC(C)F;GJZSPKVVUXTMPR-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146541;MM146541;CC(=CCC(C)F)CO;MSEAHARUJRREGK-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146542;MM146542;CC(=CCC(C)F)CF;RQBMKKLSQLKSFO-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146543;MM146543;CCC(C)=CCC(F)F;DZTHUBIJPAKAIP-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146544;MM146544;CC(=CCC(F)F)CO;IQFNTBZJYFYTAV-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146545;MM146545;CC(=CCC(F)F)CF;NSDPOIGOXWPBOD-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146546;MM146546;CCC(F)=CCC(C)C;UKMYWFHRKXSMGP-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146547;MM146547;CCC(F)=CCC(C)N;AWKZTCQQWCJJFA-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146548;MM146548;CC(N)CC=C(F)CO;RGVAATQGUWIAIR-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146549;MM146549;CC(N)CC=C(F)CF;BPAWPYNKVSZDJI-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146550;MM146550;CC(O)CC=C(F)CF;VTQKRKRDSFGVAZ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146551;MM146551;CC(F)CC=C(F)CO;JWCSOJRYXPJMHS-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146552;MM146552;CC(F)CC=C(F)CF;QUFYINWYCWLZKD-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146553;MM146553;CCC(F)=CCC(F)F;HGBJCCMUHYIZNY-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146554;MM146554;COC(C)=CCC(C)C;RWHUNOUDSBUETJ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146555;MM146555;COC(C)=CCC(C)N;AAXKGCFBOUKHJK-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146556;MM146556;COC(C)=CCC(C)O;LRNVEKYFOUZQEU-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146557;MM146557;CCC(C)=COC(C)C;YBJBVQYBBOYCCN-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146558;MM146558;CC(=COC(C)C)CN;PNQQCEWMRCNJHP-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146559;MM146559;CC(=COC(C)C)CO;HLJNYIWHZFQWAM-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146560;MM146560;CCC(F)=COC(C)C;PJXOHKXSLKVMTI-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146561;MM146561;CC(C)OC=C(F)CF;NPKPJLIVWNZWNT-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146562;MM146562;COC(C)=COC(C)C;NVJPCSOZODCGST-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146563;MM146563;CCC(C)=NNC(C)C;XSVPFEZMWIPFSZ-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146564;MM146564;CCC(C)=NOC(C)C;WHEQPIZEUJNTFP-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146565;MM146565;CC(CF)=NOC(C)C;GOJYSTYDSJZGEA-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146566;MM146566;COC(C)=NOC(C)C;FLNVWGJTZUYGJW-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146567;MM146567;CCC(C)=CCN(C)C;ZMAGPKMJZRAANV-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146568;MM146568;COC(C)=CCN(C)C;PAVUJPMGIOADHD-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146569;MM146569;C=CC(C)=CCC(C)C;HMPLOTMPIWOVCV-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146570;MM146570;CC(C=O)=CCC(C)C;NYIXSXLCXAIKHP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146571;MM146571;CC(C#N)=CCC(C)C;NYGSQMXPBUANAK-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146572;MM146572;C=CC(C)=CCC(C)N;WDUJYPQOWUGDQW-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146573;MM146573;O=CNNCCCC(F)F;ZNSDUQORVSKCLV-UHFFFAOYSA-N;152.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146574;MM146574;N#CC=NNC(=N)C=CF;UNFSOVGQDPRRGW-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146575;MM146575;CC(C=O)=CCC(C)F;FYJMVVOCKONGJS-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146576;MM146576;CC(C#N)=CCC(C)F;VSODRNPOBOOXQU-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146577;MM146577;C=CC(C)=CCC(F)F;OFORFXPCLJNNHP-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146578;MM146578;CC(C=O)=CCC(F)F;ROSMVDQWKYNRNH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146579;MM146579;CC(C#N)=CCC(F)F;YHJLEKIXFMMFTQ-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146580;MM146580;C=CC(F)=CCC(C)N;SNDRTPKOBQEQJL-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146581;MM146581;C=CC(F)=CCC(C)O;JLELKWHXTVWFOW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146582;MM146582;CC(O)CC=C(F)C=O;DGNHYSLKGVEIBJ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146583;MM146583;C=CC(F)=CCC(C)F;YDAPVXOGGWKHLN-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146584;MM146584;CC(F)CC=C(F)C=O;SYPIJOFYZIRRHT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146585;MM146585;CC(C#N)=CNC(C)C;CQFGSIHHCULYGZ-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146586;MM146586;CC(C)NC=C(F)C=O;YLGAGYXTNZJZDA-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146587;MM146587;CC(C)NC=C(F)C#N;VPCMEZOIGXGEJI-UHFFFAOYSA-N;128.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146588;MM146588;C=CC(C)=COC(C)C;VYNRDNLTAFKQDK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146589;MM146589;CC(C=O)=COC(C)C;WTQCIHRKYQGWTR-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146590;MM146590;CC(C#N)=COC(C)C;IEFVKRCVMLRITM-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146591;MM146591;CC(C)OC=C(F)C#N;IUMRYNJXLRLSBL-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146592;MM146592;C=CC(C)=NNC(C)C;RJBVYELAUVRILP-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146593;MM146593;C=NOC(C)C#CCC#N;SEXKWPNZCFEGFI-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146594;MM146594;CC(C#N)=NOC(C)C;WTGMOZXJBZCPQF-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146595;MM146595;C=CC(C)=CCN(C)C;NROMRQNLBCTXQB-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146596;MM146596;C#CC(C)=CCC(C)C;CJHYKMNZAGVUJT-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146597;MM146597;C#CC(C)=CCC(C)N;XRTLZNQUEHADDO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146598;MM146598;CC(F)C(=N)NN=CC#N;NSZWTZGKPRVHTO-UHFFFAOYSA-N;142.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146599;MM146599;C#CC(C)=CCC(C)F;LJYMLIZZSMEPIO-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146600;MM146600;C#CC(C)=CCC(F)F;PZGPIZVOSHRDML-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146601;MM146601;C#CC(F)=CCC(C)C;GAQVOUUMHABXFZ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146602;MM146602;C#CC(F)=CCC(C)O;OBSJKWHUSNKYKV-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146603;MM146603;C#CC(F)=CCC(C)F;GEEXJMJWPLQPIW-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146604;MM146604;C#CC(C)=COC(C)C;OCFNPVQQFMRJCY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146605;MM146605;C#CC(C)=NNC(C)C;ZRAZEKNSQMOWGZ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146606;MM146606;C#CC(C)=CCN(C)C;JLBXXKHNPONNTO-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146607;MM146607;C=C(C)CC=C(C)CC;RGSNTPKWLSDVHI-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146608;MM146608;C=C(C)CC=C(C)CN;TVWAXIZTKDYJLE-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146609;MM146609;C=C(C)CC=C(C)CO;XNILEPPGZAZWAN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146610;MM146610;CCC(C)=CCC(C)=O;GOYDFQWRGOQOQC-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146611;MM146611;CCC(C)=CCC(=N)N;WWDVSGJEIJDXLM-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146612;MM146612;CC(=NN)N(N)C(=O)NN;MJEQZNHVJPYOMH-UHFFFAOYSA-N;146.15;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146613;MM146613;CC(=CCC(N)=O)CN;VVESUTAGLPDQEC-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146614;MM146614;CCC(C)=CCC(=O)O;VKWJULLMBKNPEC-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146615;MM146615;Cn1[nH]c(=NO)[nH]c1=O;WRYYVUQODHWABZ-UHFFFAOYSA-N;130.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146616;MM146616;CC(=CCC(=O)O)CF;FNWUWKHOMQABMH-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146617;MM146617;C=C(F)CC=C(C)CC;VSBXEGVTEMRBGP-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146618;MM146618;C=C(F)CC=C(C)CN;VALKOXWANJJEQY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146619;MM146619;C=C(F)CC=C(C)CO;NHCJZYRDMSCCKC-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146620;MM146620;C=C(F)CC=C(C)CF;WJSMAPIDTKFTGD-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146621;MM146621;C=C(C)CC=C(F)CC;XSISMDRZXQMIDS-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146622;MM146622;CCC(F)=CCC(C)=O;FNRCYMFHQVNFQY-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146623;MM146623;CCC(F)=CCC(=N)N;IGKFUMAHBLNJSJ-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146624;MM146624;N=C(N)CC=C(F)CN;RMOUVKUCJZOHLO-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146625;MM146625;N=C(N)CC=C(F)CF;GVHNBDICFFUNQV-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146626;MM146626;NC(=O)CC=C(F)CF;UVPBTGNEGBZFAR-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146627;MM146627;O=C(O)CC=C(F)CF;QXLZIVIDAQWOPL-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146628;MM146628;C=C(F)CC=C(F)CC;CVWFGQOZBYNXOQ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146629;MM146629;C=C(F)CC=C(F)CF;OSSGIFAPOUHXLY-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146630;MM146630;C=C(C)CC=C(C)OC;ORNCHDMPASDTIQ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146631;MM146631;Nc1nn(O)c(=O)n1N;BFFWVMPKOWGJSL-UHFFFAOYSA-N;131.1;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146632;MM146632;CCC(C)=CNC(C)=N;QWHDXRXURVAKQO-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146633;MM146633;CC(=N)NC=C(C)CN;SVRYPQTYMYBBGI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146634;MM146634;CC(=N)NC=C(C)CO;HFNXKXBKCMQKTI-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146635;MM146635;CCC(C)=CNC(C)=O;IOHAUSAEAGTPMO-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146636;MM146636;CC(=O)NC=C(C)CN;CNLSIAKLEVKEBS-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146637;MM146637;CC(=O)NC=C(C)CO;IURMBQOZUYAJTG-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146638;MM146638;CC(=CNC(=N)N)CN;GIUWACPYFQYALV-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146639;MM146639;CC(=CNC(=N)N)CO;SXLSIQGWANYXGH-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146640;MM146640;CC(=CNC(=N)N)CF;CPPIRGNHKOYZFN-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146641;MM146641;CC(=CNC(N)=O)CN;VETVMFKQXQGIJB-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146642;MM146642;CC(=CNC(N)=O)CO;SGADXNDIJQKFBM-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146643;MM146643;CC(=N)NC=C(F)CN;IDYHKYOSZUJBJL-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146644;MM146644;CCC(F)=CNC(C)=O;LMNOGUOHLFEYQS-UHFFFAOYSA-N;131.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146645;MM146645;CC(=O)NC=C(F)CO;JBAYUKDJRWDFEP-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146646;MM146646;N=C(N)NC=C(F)CO;MWDDGWRAKDWMON-UHFFFAOYSA-N;133.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146647;MM146647;N=C(N)NC=C(F)CF;XJKJXVXXQKEYSK-UHFFFAOYSA-N;135.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146648;MM146648;CCC(F)=CNC(N)=O;GQQDXUCPKLLIRI-UHFFFAOYSA-N;132.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146649;MM146649;NC(=O)NC=C(F)CO;PJGZJUPDYAURSI-UHFFFAOYSA-N;134.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146650;MM146650;NC(=O)NC=C(F)CF;FYUVEDMFJYBNPX-UHFFFAOYSA-N;136.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146651;MM146651;COC(C)=CNC(C)=N;QYWFUHILPYHINF-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146652;MM146652;COC(C)=CNC(=N)N;PCMMENBQQAFHDE-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146653;MM146653;COC(C)=CNC(N)=O;OZHMPHMTIJISPF-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146654;MM146654;C=C(C)OC=C(C)CC;WEQMOCJVMBNHII-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146655;MM146655;C=C(C)OC=C(C)CN;RLMITHFCRHIFPN-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146656;MM146656;C=C(C)OC=C(C)CO;SWJMBSPCTZBMEK-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146657;MM146657;C=C(C)OC=C(C)CF;DRDWTWQPHYNCFS-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146658;MM146658;CCC(C)=COC(C)=O;PJJIBLJEHZPLNK-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146659;MM146659;CC(=O)OC=C(C)CF;NCCRPCGULLMFGI-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146660;MM146660;C=C(C)OC=C(F)CC;AASAYPGLUXYAMF-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146661;MM146661;C=C(C)OC=C(C)OC;ZYLGTTXTORITID-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146662;MM146662;COC(C)=COC(C)=O;KFANNZMQVQXXTN-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146663;MM146663;CCC(C)=NNC(C)=O;SYBJGNZMJSFXHF-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146664;MM146664;CC(=O)NN=C(C)CO;BDMYJFUIRLRWAV-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146665;MM146665;CC(=O)NN=C(C)CF;NQWNGEPCCZGPNY-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146666;MM146666;CC(CO)=NNC(=N)N;ADMYEMCYHQVFKN-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146667;MM146667;CC(CN)=NNC(N)=O;WOCATSRKZVWDLR-UHFFFAOYSA-N;130.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146668;MM146668;CC(CO)=NNC(N)=O;HHGXOMVCMIZXIM-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146669;MM146669;CCC(C)=NOC(C)=O;VVHNDGQDMMORLK-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146670;MM146670;NN=CNN=CC(=O)NN;HFWMJZVNJCYBEL-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146671;MM146671;CC(CN)=NOC(N)=O;VRPWFXOUFCQMJM-UHFFFAOYSA-N;131.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146672;MM146672;CC(CO)=NOC(N)=O;OYVWNQKYTUWGGA-UHFFFAOYSA-N;132.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146673;MM146673;COC(C)=NOC(N)=O;PUQPNBGVZAWPTR-UHFFFAOYSA-N;132.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146674;MM146674;C=CC(C)=CCC(=C)C;ALBOXQSXLOJSKS-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146675;MM146675;C=C(C)CC=C(C)C=O;CNJRKIKYIYWKMQ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146676;MM146676;C=C(C)CC=C(C)C#N;VAESBYOVYCELLS-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146677;MM146677;C=CC(C)=CCC(C)=O;RAQJLQORQJDGET-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146678;MM146678;CC(=O)CC=C(C)C#N;OPZQVDHYKCDPGL-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146679;MM146679;C=CC(C)=CCC(=N)N;UBCUYIDITYTTNH-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146680;MM146680;CC(C=O)=CCC(=N)N;XDXCRANEWQMXFS-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146681;MM146681;CCNC=CC(=NO)NN;PDDWPMOMYVOYIS-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146682;MM146682;C=CC(C)=CCC(=O)O;BFUYPWNVMSXEQU-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146683;MM146683;CC(C#N)=CCC(=O)O;PCJBRTKOBILAFW-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146684;MM146684;C=CC(C)=CCC(=C)F;RLRWROHIEKTBNG-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146685;MM146685;C=C(F)CC=C(C)C=O;OWKVPRIHGUJEGX-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146686;MM146686;C=C(F)CC=C(C)C#N;RHVORDKLTWUKRD-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146687;MM146687;C=CC(F)=CCC(C)=O;VQOWIEDOZWEWEK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146688;MM146688;CC(=O)CC=C(F)C#N;QDLGEGZSQXGFRK-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146689;MM146689;C=CC(F)=CCC(=N)N;CCALDGFNTVPRAS-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146690;MM146690;N#CC(F)=CCC(=N)N;SBFOOHRDTJOAAJ-UHFFFAOYSA-N;127.12;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146691;MM146691;C=CC(F)=CCC(N)=O;GDQAOPRAAKNSSF-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146692;MM146692;N#CC(F)=CCC(N)=O;PTZMUGXORODHFC-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146693;MM146693;N#CC(F)=CCC(=O)O;XEKQNUNOPYYDKE-UHFFFAOYSA-N;129.09;0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146694;MM146694;C=CC(F)=CCC(=C)F;CUGSVBAFEHWTSE-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146695;MM146695;C=C(F)CC=C(F)C#N;UOXGMOHNFRRVDO-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146696;MM146696;C=CC(C)=CNC(C)=N;AOTCJXRGPVPPJN-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146697;MM146697;CC(=N)NC=C(C)C=O;PWDQJDJDEPUPTD-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146698;MM146698;C=CC(C)=CNC(C)=O;QBOBESMIVOKRIR-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146699;MM146699;CC(=O)NC=C(C)C=O;LURHTIITBBJDGN-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146700;MM146700;CC(C=O)=CNC(=N)N;HATLRVLUJKPTMR-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146701;MM146701;CC(C#N)=CNC(=N)N;HUNLMETYTHFJAF-UHFFFAOYSA-N;124.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146702;MM146702;CC(C#N)=CNC(N)=O;WBFOTFAWKFYWRY-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146703;MM146703;C=CC(F)=CNC(C)=N;HWLRNJHWPXIWGO-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146704;MM146704;CC(=N)NC=C(F)C=O;YLNYRXPEBYHNRG-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146705;MM146705;CC(=N)NC=C(F)C#N;IYWLMFBWQSXFEU-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146706;MM146706;C=CC(F)=CNC(C)=O;NWDBPXZVYARAPR-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146707;MM146707;CC(=O)NC=C(F)C#N;OIOPSLIMDGRNJM-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146708;MM146708;C=CC(F)=CNC(N)=O;HTQNEXQONKIWRO-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146709;MM146709;C=CC(C)=COC(=C)C;DWUVWJNKPKCJPH-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146710;MM146710;C=C(C)OC=C(C)C=O;IBDVSSDEUDQCLQ-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146711;MM146711;C=C(C)OC=C(C)C#N;GVTYCRGIBQUEGO-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146712;MM146712;C=CC(C)=COC(C)=O;WMYJNHMPOAVSQZ-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146713;MM146713;C=CC(F)=COC(=C)C;YVYMJMUENYVEGO-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146714;MM146714;C=C(C)OC=C(F)C=O;HCQBJVXALTZEIL-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146715;MM146715;C=C(C)OC=C(F)C#N;BKTGMUMCQJHJNU-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146716;MM146716;C=CC(F)=COC(C)=O;SMHVKYJJCMHXEN-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146717;MM146717;CC(=O)OC=C(F)C#N;ZJGMROBGWFHKNW-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146718;MM146718;C=CC(C)=NNC(C)=O;PYIHWPCMBNWOGE-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146719;MM146719;C=CC(C)=NNC(=N)N;RALJOCPGSKBEEQ-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146720;MM146720;CC(C=O)=NNC(N)=O;ASMSIONFEIQQRO-UHFFFAOYSA-N;129.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146721;MM146721;CC(=O)ON=C(C)C=O;VXDZKDUBKFGBFI-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146722;MM146722;CC(=O)ON=C(C)C#N;BJUJIAXCRUIBRZ-UHFFFAOYSA-N;126.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146723;MM146723;C=CC(CF)C(=O)NNC;DYXRQIAIZRPMAX-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146724;MM146724;C#CC(C)=CCC(=C)C;LVWQJIINIZXBJZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146725;MM146725;C#CC(C)=CCC(C)=O;CMAINFABRMJGCJ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146726;MM146726;C#CC(C)=CCC(N)=O;WAHSXUPGMVPHHC-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146727;MM146727;C#CC(C)=CCC(=O)O;VXMOXTIJHIGPRG-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146728;MM146728;C#CC(C)=CCC(=C)F;GTMWYSXQLZGNIF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146729;MM146729;C#CC(F)=CCC(C)=O;MSURKTSDYFQFGN-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146730;MM146730;C#CC(F)=CCC(=O)O;RJRPZNITSNZCSM-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146731;MM146731;C#CC(F)=CCC(=C)F;PNCMPQUJVXBZJI-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146732;MM146732;C#CC(C)=CNC(N)=O;KDSZBKFHKBQXEE-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146733;MM146733;C#CC(F)=CNC(C)=O;ZCYWHUFGKJQABN-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146734;MM146734;C#CC(C)=COC(=C)C;GFDXAVDRAFOHRZ-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146735;MM146735;C#CC(C)=COC(C)=O;DLYFFVNNAQIWBQ-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146736;MM146736;C#CC(F)=COC(=C)C;JSGQUTJPOKSVJJ-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146737;MM146737;C#CC(F)=COC(C)=O;BKXIAGIEFSQZMY-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146738;MM146738;C#CC(C)=NOC(C)=O;KKFYIYHGVLMPGV-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146739;MM146739;CCC(C)=CC=C(C)C;MXZKRWKJCMNLRW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146740;MM146740;CC(C)=CC=C(C)CN;WKTYTZQRWRKFPZ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146741;MM146741;CC(C)=CC=C(C)CO;WGJARATUUYDQIO-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146742;MM146742;CC(C)=CC=C(C)CF;DVADMTFXJKVBSQ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146743;MM146743;CCC(C)=CC=C(C)F;CCOGHZOQZGMLJC-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146744;MM146744;CC(F)=CC=C(C)CN;LMLFPVNDTQLYBS-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146745;MM146745;CC(F)=CC=C(C)CO;DLBLJXVOPZKAKH-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146746;MM146746;CCC(C)=CC=C(F)F;WOLKACUBDJBERH-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146747;MM146747;CC(=CC=C(F)F)CN;ZALTYSDPIAASFJ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146748;MM146748;CC(=CC=C(F)F)CO;GVTCEGHGNQSSCM-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146749;MM146749;CC(=CC=C(F)F)CF;DASVNNHKYSDSBG-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146750;MM146750;CCC(F)=CC=C(C)C;PJJSBJCCQGUNEI-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146751;MM146751;CC(C)=CC=C(F)CO;UEMDRWPDPVHVSD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146752;MM146752;CC(F)=CC=C(F)CO;XYCFBEZBFFWKGA-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146753;MM146753;FCC(F)=CC=C(F)F;ANMTUOAECUDOGY-UHFFFAOYSA-N;140.08;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146754;MM146754;COC(C)=CC=C(C)C;OATOZNXOHQLCAH-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146755;MM146755;CCC(C)=NN=C(C)C;JDUNDKWHZGRBTF-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146756;MM146756;CC(C)=NN=C(C)CO;OSZLHOZJIOWXFE-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146757;MM146757;N=C(CN)NN=C(N)N;HYCJSKXLGWCTCP-UHFFFAOYSA-N;130.16;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146758;MM146758;CC(=N)NN=C(N)NN;CLLWKAWBCAYGHY-UHFFFAOYSA-N;130.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146759;MM146759;COC(C)=NN=C(C)C;QBOZAXUWPMWCAC-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146760;MM146760;C=CC(C)=CC=C(C)C;YNTMGFWTKOVEDG-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146761;MM146761;CC(C)=CC=C(C)C=O;MHIMPGJTVNXUTR-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146762;MM146762;CC(C)=CC=C(C)C#N;QIHADYAQRGRYCC-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146763;MM146763;C=CC(C)=CC=C(C)F;PXSAHOWSYPXLBM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146764;MM146764;CC(F)=CC=C(C)C=O;ULCYTOABYMZBPY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146765;MM146765;CC(F)=CC=C(C)C#N;ZOUKSQWXWQDVBC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146766;MM146766;C=CC(C)=CC=C(F)F;HKADGRXJRPGXCS-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146767;MM146767;CC(C=O)=CC=C(F)F;PMDKRRFBVAKGIN-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146768;MM146768;C=CC(F)=CC=C(C)C;KRIPNFQCISZWST-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146769;MM146769;C=CC(F)=CC=C(C)F;DEBXELKNDAKZKZ-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146770;MM146770;CC(F)=CC=C(F)C=O;WWEFHZPKCYRWPW-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146771;MM146771;CC(F)=CC=C(F)C#N;WCMWEEKJGYNWDU-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146772;MM146772;C=CC(F)=CC=C(F)F;MXEYQCRAUPXGSL-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146773;MM146773;C=CC(C)=NN=C(C)C;FJJKQFWDTUEKKR-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146774;MM146774;CC(C)=NN=C(C)C=O;CZRHZITZFITWLC-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146775;MM146775;CC(C)=NN=C(C)C#N;DGXFVSHKWXLTOF-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146776;MM146776;C#CC(C)=CC=C(C)C;SCBLGSUOJGADAQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146777;MM146777;C#CC(C)=CC=C(C)F;DDAYGHYAYTUQFM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146778;MM146778;C#CC(C)=CC=C(F)F;XYXZAZNZAMKKLM-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146779;MM146779;C#CC(F)=CC=C(C)C;VRAMABVROVGJRE-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146780;MM146780;C#CC(F)=CC=C(F)F;SQVKWBMJCLIJNH-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146781;MM146781;C#CC(C)=NN=C(C)C;PGYMGUBMRDODRV-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146782;MM146782;CCC1(C)CC(C)C1C;RCTVAZSYRNSPHG-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146783;MM146783;CC1CC(C)(CN)C1C;VWOWMYVDNXHVEZ-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146784;MM146784;CCCc1c[nH]c(N=O)c1;WNTCTJUNEQCLPL-UHFFFAOYSA-N;138.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146785;MM146785;CC1CC(C)(CF)C1C;UZCQABYPATYJOL-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146786;MM146786;CCC1(C)CC(N)C1C;ORGSRWYGNLROTQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146787;MM146787;ON=CNC1CC1;NOASTQNPXHSFQC-UHFFFAOYSA-N;100.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146788;MM146788;CC1C(O)CC1(C)CN;FJQBBIXKGKUIJU-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146789;MM146789;CC1C(O)CC1(C)CO;BEGPTLVEVPKRLR-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146790;MM146790;CCC1(C)CC(F)C1C;ZSJPHRDSODDJBS-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146791;MM146791;CC1C(F)CC1(C)CN;BMGSJKWLHCOOHV-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146792;MM146792;CC1C(F)CC1(C)CO;LRQNFIISTQYSTC-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146793;MM146793;CC1C(F)CC1(C)CF;JZYNICSCDDDSSV-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146794;MM146794;CCC1(C)CC(N)C1N;LZLNXXMMLPJZNZ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146795;MM146795;CC1(CN)CC(N)C1N;XHDGZAHGIYVDHO-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146796;MM146796;CCC1(C)CC(O)C1N;OPYJSZSSYHEWAD-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146797;MM146797;CC(=NO)NCCO;DLOLZBCKBUGWOM-UHFFFAOYSA-N;118.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146798;MM146798;CC1CC(C)(CO)C1O;FMPKZOQTGLJTPU-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146799;MM146799;CCC1(C)CC(N)C1O;AVSAJMIOKPCPFJ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146800;MM146800;CCC1(N)CC(C)C1C;MPSRWWLCOAPZRF-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146801;MM146801;CC1CC(N)(CN)C1C;HGLKUMSTQHMFSU-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146802;MM146802;CCC1(N)CC(N)C1C;QXIGZAUNOUEHTC-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146803;MM146803;CC1C(N)CC1(N)CO;YYHCWXXEIHCBSK-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146804;MM146804;CC1C(N)CC1(N)CF;MEEMUBHHPHCKTP-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146805;MM146805;CCC1(N)CC(O)C1C;AOOUUFULYSKEBB-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146806;MM146806;CC1C(O)CC1(N)CN;BFIKLKPYUGUCGQ-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146807;MM146807;CC1C(O)CC1(N)CO;CCDHMKGDHWPYDM-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146808;MM146808;CC1C(O)CC1(N)CF;KTFVWJRGMVYGDA-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146809;MM146809;CC1C(F)CC1(N)CN;ALPJXKCGKQUBNR-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146810;MM146810;CC1C(F)CC1(N)CO;CFTFCQUOXJYVLF-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146811;MM146811;CCC1(N)CC(C)C1N;SCQSSRQPJGUGGM-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146812;MM146812;CC1CC(N)(CN)C1N;XYKMLALLZOQSHG-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146813;MM146813;NCC1(N)CC(N)C1N;QMXQCKVBVGBYLF-UHFFFAOYSA-N;130.2;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146814;MM146814;CCC1(N)CC(O)C1N;UHXOEFMGMSZKST-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146815;MM146815;CCC1(N)CC(F)C1N;QPDPIAXGKHFGBZ-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146816;MM146816;NCC1(N)CC(F)C1N;ITYRMSZKKKIBBR-UHFFFAOYSA-N;133.17;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146817;MM146817;CC#CC(N)C(F)(F)F;LGLAZAXPZFDGNL-UHFFFAOYSA-N;137.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146818;MM146818;CCC1(O)CC(N)C1C;YCQJMIZISQWKAD-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146819;MM146819;CCC1(O)CC(O)C1C;VEXRVOMXBDOBCS-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146820;MM146820;CC1C(O)CC1(O)CN;KHBWOJLFWJEYIU-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146821;MM146821;CCC1(O)CC(F)C1C;LVOOVQYMYBCSLK-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146822;MM146822;CC1C(F)CC1(O)CN;DPVPEEQEEQSVTD-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146823;MM146823;CCC1(O)CC(C)C1N;HFXYUOIVUBCLPE-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146824;MM146824;CCC1(O)CC(N)C1N;JJSJWBJCOTYRDX-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146825;MM146825;NC1CC(O)(CF)C1N;LBUISJIZELMNJY-UHFFFAOYSA-N;134.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146826;MM146826;NC1C(O)CC1(O)CO;WKNDMRTVJIEIMQ-UHFFFAOYSA-N;133.15;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146827;MM146827;CCC1(F)CC(C)C1C;AZLYWBAFRKLKKP-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146828;MM146828;CCC1(F)CC(N)C1C;OPZDAIYBNVIYKH-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146829;MM146829;CC1C(N)CC1(F)CN;GHYDFULGHVMUFL-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146830;MM146830;CNC1(C)CC(C)C1C;KGXMONQFMJKTAO-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146831;MM146831;CNC1(C)CC(N)C1C;PKVHUYJEEMOQCI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146832;MM146832;COC1(C)CC(O)C1C;USAIUWPQXZIZAC-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146833;MM146833;CCC1(C)NC(C)C1C;VSOFIOAHYMICJI-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146834;MM146834;CC1NC(C)(CN)C1C;IGBJODPGNURXAX-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146835;MM146835;CC1NC(C)(CO)C1C;PAZYYPFXRCMAIV-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146836;MM146836;CC1OC(C)(CN)C1C;DNPDOGWZAMBKON-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146837;MM146837;CCC1(C)CN(C)C1C;LTVGOVJCADTDQB-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146838;MM146838;CCC1(N)CN(C)C1C;OMPZLSIACNVEFR-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146839;MM146839;CC1N(C)CC1(O)CN;WMAYXKRBDCAJPV-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146840;MM146840;CCC1(F)CN(C)C1C;XTLRROVINMAPMM-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146841;MM146841;CCC1(C)CC(C)N1C;NRMONNSURDCMKZ-UHFFFAOYSA-N;127.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146842;MM146842;CC1CC(C)(CN)N1C;XDIGUZNKTFDSRY-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146843;MM146843;CC1CC(C)(CO)N1C;CFTABOVJUOUBEI-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146844;MM146844;C=CC1(C)CC(C)C1C;SUASWVBDTKDGHK-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146845;MM146845;CC1CC(C)(C=O)C1C;MVFONYFAIXBYGM-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146846;MM146846;CC1CC(C)(C#N)C1C;PANUNVLLKFDUTP-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146847;MM146847;C=CC1(C)CC(N)C1C;WWRACSQMRZURBE-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146848;MM146848;CN=CN(N)C(=O)NN;HCFJMYQSCSEIGK-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146849;MM146849;CC1C(O)CC1(C)C=O;YPMVUKKVNNYPJN-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146850;MM146850;CC1C(O)CC1(C)C#N;OQERIMHQMPREIQ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146851;MM146851;C=CC1(C)CC(F)C1C;SSQKJSRJXULRIV-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146852;MM146852;CC1C(F)CC1(C)C=O;ITWOOQJSXPIWRD-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146853;MM146853;CC1C(F)CC1(C)C#N;CELUPSUJAYIOEO-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146854;MM146854;C=CC1(C)CC(C)C1N;JIAGPZQBQNIFLU-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146855;MM146855;C=CC1(C)CC(N)C1N;FVJFMEVSRVDIKH-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146856;MM146856;C=CC1(C)CC(O)C1N;LVAAAYHRHGAJGK-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146857;MM146857;CC1CC(C)(C#N)C1O;HLCLXHMKEMSCOS-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146858;MM146858;C=CC1(N)CC(N)C1C;CMVONRXSLRVFDD-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146859;MM146859;C=CC1(N)CC(O)C1C;MMRWXVQXCYNUQW-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146860;MM146860;C=CC1(N)CC(F)C1C;FGCOUVVVJZJDIP-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146861;MM146861;C=CC1(N)CC(C)C1N;UOPBREJVLDKAFS-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146862;MM146862;C=CC1(N)CC(N)C1N;RJJNZVIBNHPZRZ-UHFFFAOYSA-N;127.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146863;MM146863;C=CC1(N)CC(N)C1O;XIXQPOHSUMTOJJ-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146864;MM146864;NN=CC1=CC=C(F)C1;KQQZSKKBTYRZKL-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146865;MM146865;CC1CC(O)(C=O)C1C;CGWJZGRZKFXRAA-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146866;MM146866;CC1CC(O)(C#N)C1C;JWLQUTBCSAZPSZ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146867;MM146867;C=CC1(O)CC(N)C1C;PGGNCFIYOLBHQY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146868;MM146868;C=CC1(O)CC(O)C1C;CNGUVDDMPOMJDJ-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146869;MM146869;CC1C(O)CC1(O)C#N;ZGVDUELBBRPUJA-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146870;MM146870;C=CC1(O)CC(F)C1C;RWWFPJOYRLIMGM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146871;MM146871;CC1C(F)CC1(O)C=O;OMQYWAZKFVBIPW-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146872;MM146872;CC1C(F)CC1(O)C#N;FIHYUPQMVHLSTR-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146873;MM146873;C=CC1(O)CC(C)C1N;DLJNQIFDLPEAPC-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146874;MM146874;C=CC1(O)CC(O)C1N;DUJRGECBWHBYNY-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146875;MM146875;CC1CC(F)(C=O)C1C;NIZXMJYWFXEJPN-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146876;MM146876;CC1CC(F)(C#N)C1C;BQGWAHDWEYGCSG-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146877;MM146877;CC1C(O)CC1(F)C#N;SVRBSRHXJONEPJ-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146878;MM146878;C=CC1(F)CC(F)C1C;FLXKUVWETNSNKT-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146879;MM146879;CC1C(F)CC1(F)C#N;QNTHBDNRVRKMSH-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146880;MM146880;C=CC1(C)NC(C)C1C;LZGUPDOLIDEUNJ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146881;MM146881;CC1NC(C)(C=O)C1C;QCBGORVAPWQUBB-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146882;MM146882;CC1NC(C)(C#N)C1C;QUDVHKVNBUOGHU-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146883;MM146883;C=CC1(C)OC(C)C1C;LAGHBFFIIKDZPV-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146884;MM146884;CC1OC(C)(C#N)C1C;WGDUSHVLNPISSU-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146885;MM146885;C=CC1(C)CN(C)C1C;YMLFOARJCTZSMK-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146886;MM146886;C=CC1(N)CN(C)C1C;WRSICSVVYUWWIZ-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146887;MM146887;CCc1cnc(O)n1N;YKHZAAICKSOBBQ-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146888;MM146888;C=C(F)C(C)(C)C(=O)NN;CNPMUROJKHBJBA-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146889;MM146889;C=CC1(F)CN(C)C1C;LNKHWURRRNPDHZ-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146890;MM146890;C=CC1(C)CC(C)N1C;UDESVVYPURYAQJ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146891;MM146891;CC1CC(C)(C#N)N1C;WIDVWFCVDZHODI-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146892;MM146892;C#CC1(C)CC(C)C1C;SMNQGNAWSLPVLB-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146893;MM146893;C#CC1(C)CC(N)C1C;FYIKRRIFPXABEK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146894;MM146894;CN(C)NC(=NO)N(C)O;SBQROEVRYIFVNZ-UHFFFAOYSA-N;148.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146895;MM146895;C#CC1(C)CC(F)C1C;VJTAVCDLGGRNDH-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146896;MM146896;C#CC1(C)CC(C)C1N;KWYREBQMDWTARQ-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146897;MM146897;C#CC1(C)CC(N)C1N;VCMDCWMTCBETSH-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146898;MM146898;C#CC1(C)CC(O)C1N;MVBNYSIGZKMWIT-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146899;MM146899;CNNC(=O)COCCO;NTFHWGRJNSUIOO-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146900;MM146900;C#CC1(N)CC(C)C1C;XHOLEXGFMSBAIN-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146901;MM146901;C#CC1(N)CC(O)C1C;FRHQHAUTUDAGEN-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146902;MM146902;C#CC1(N)CC(F)C1C;BORYYESNMCCUBQ-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146903;MM146903;C#CC1(N)CC(N)C1N;NUNWGWRQRQPCFX-UHFFFAOYSA-N;125.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146904;MM146904;C#CC1(O)CC(C)C1C;RRYYDJMBMFGXKL-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146905;MM146905;C#CC1(O)CC(N)C1C;DBGJVOUKTKVXIH-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146906;MM146906;C#CC1(O)CC(O)C1C;BPDPKMXDEQDNCW-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146907;MM146907;C#CC1(O)CC(F)C1C;VPDJDEMLQDCEOQ-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146908;MM146908;C#CC1(O)CC(C)C1N;IBIIUYZGVVZQRC-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146909;MM146909;C#CC1(O)CC(O)C1N;BUQFZLCSDBPTRF-UHFFFAOYSA-N;127.14;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146910;MM146910;C#CC1(F)CC(C)C1C;XCDOKJAQNGISJS-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146911;MM146911;C#CC1(F)CC(N)C1C;GDCUCQBMMYHXLV-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146912;MM146912;C#CC1(F)CC(F)C1C;WGMAVEPRYQMZBU-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146913;MM146913;C#CC1(F)CC(N)C1N;JWIBVYDEJDVODY-UHFFFAOYSA-N;128.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146914;MM146914;C#CC1(C)NC(C)C1C;BCDFMPJREADVAK-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146915;MM146915;C#CC1(C)NC(C)C1N;MPPMNLYZYZOMJA-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146916;MM146916;C#CC1(C)OC(C)C1C;OSCUXWIHQNGHOC-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146917;MM146917;C#CC1(C)CN(C)C1C;NZNBGCGDHFKDSP-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146918;MM146918;C#CC1(C)CC(C)N1C;ZRFQYMMDTJKYOJ-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146919;MM146919;CCC1(C)CC(=O)C1C;VWUGYDNTPSMGHX-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146920;MM146920;CC1C(=O)CC1(C)CO;FALVQDFZGVWWEJ-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146921;MM146921;CNC1(C)CC(=O)C1C;HVQKJIHVPCGMPO-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146922;MM146922;CCC1(C)CC(=O)N1C;JAVSYQVYRHQIRS-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146923;MM146923;CN1C(=O)CC1(C)CN;YYEGBKRBQDWSRW-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146924;MM146924;CN1C(=O)CC1(C)CO;UZEMKYVHUZFLCD-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146925;MM146925;C=CC(=N)N(N)C(=O)NN;WEDYEBPRIAFZGV-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146926;MM146926;C=CC1(C)CC(=O)C1C;STOJEQGJHSVACJ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146927;MM146927;C=CC1(C)CC(=O)N1C;DHPBNJPULZOGIP-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146928;MM146928;CN1C(=O)CC1(C)C=O;XIMXHHBPAVYROH-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146929;MM146929;CN1C(=O)CC1(C)C#N;KNKAHPSKMHFLIN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146930;MM146930;CCN(O)C(=NO)NNC;ADWQKSKWAJZHMG-UHFFFAOYSA-N;148.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146931;MM146931;C#CC1(C)CC(=O)N1C;AQBBYHKBINWDMN-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146932;MM146932;CCN(N)C(=NO)NOC;LACUCNCNFIOWNY-UHFFFAOYSA-N;148.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146933;MM146933;CCC1(C)CC(C)C1=O;YENNUZHVJKUNCH-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146934;MM146934;CC1CC(C)(CO)C1=O;NOILDYJEJWBSGN-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146935;MM146935;CC1CC(C)(CF)C1=O;INOMQUDYVQFTLV-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146936;MM146936;CCC1(C)CC(O)C1=O;NLBZSWOUOGKOME-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146937;MM146937;CC1(CF)CC(O)C1=O;GGWPPRABYVZMLT-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146938;MM146938;CCC1(C)CC(F)C1=O;HDXJEOZNQIGEIE-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146939;MM146939;CCC1(O)CC(C)C1=O;NQPNLJGAEQMBSJ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146940;MM146940;CC1CC(O)(CO)C1=O;RDNXBQMJNSZLTD-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146941;MM146941;CCC1(O)CC(O)C1=O;BORLZCJNGULMHP-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146942;MM146942;CC1CC(F)(CF)C1=O;HROGDNWRZLRJFW-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146943;MM146943;CCN(C=NO)CCOC;VKNCMBNMDVWRFH-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146944;MM146944;CCC1(C)CN(C)C1=O;IOJGETQNBSRWFJ-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146945;MM146945;CN1CC(C)(CN)C1=O;JQMJNDWWWBGGHL-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146946;MM146946;CCC1(C)CN(N)C1=O;NUPIDPRMXDTPIP-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146947;MM146947;C=CC1(C)CC(C)C1=O;OHSVEXHVWMVYMS-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146948;MM146948;C=CC1(C)CC(O)C1=O;XSKCZZVDJAXFJZ-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146949;MM146949;CC1(C=O)CC(O)C1=O;CQIQKEPMYSPDQI-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146950;MM146950;CC1(C=O)CC(F)C1=O;VZENLDHCXQBCTG-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146951;MM146951;CC1(C#N)CC(F)C1=O;YNXILFWQAHXISV-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146952;MM146952;C=CC1(O)CC(C)C1=O;IYYIOBRVNFDOSB-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146953;MM146953;CC1CC(O)(C=O)C1=O;BPWMMGBFUXNYPV-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146954;MM146954;CC1CC(O)(C#N)C1=O;NUTZZOKFSAVSKX-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146955;MM146955;C=CC1(O)CC(O)C1=O;BILQHEALJHIRCR-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146956;MM146956;N#CC1(O)CC(O)C1=O;DZKHSQJVUHFEMI-UHFFFAOYSA-N;127.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146957;MM146957;CC1CC(F)(C#N)C1=O;CSPGKISZEXSLJR-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146958;MM146958;C#CC(O)C(=NN)N(C)N;BMQGHZJYCDWCIO-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146959;MM146959;C=CC1(C)CN(C)C1=O;IHTOUXQVKLVEKH-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146960;MM146960;CN1CC(C)(C#N)C1=O;BIACBRHDACVXRK-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146961;MM146961;C=CC1(C)CN(N)C1=O;NSTWHJIVLWMJCD-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146962;MM146962;C=CC1(O)CN(C)C1=O;YYWZZDZZZVQDHA-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146963;MM146963;CN1CC(O)(C#N)C1=O;RIIXEZKEZHQYAJ-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146964;MM146964;CCN(OC)C(=NO)NN;AQVKGCWRGDOPOK-UHFFFAOYSA-N;148.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146965;MM146965;C=CC1(F)CN(C)C1=O;ZQICZSBNTMHQIS-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146966;MM146966;C#CC1(C)CC(F)C1=O;NGXHORHZHWEVFN-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146967;MM146967;C#CC1(O)CC(O)C1=O;ZFMCBJZAXQLJQB-UHFFFAOYSA-N;126.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146968;MM146968;C#CC1(F)CC(C)C1=O;UAPAMSLYNPPDLT-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146969;MM146969;C#CC1(C)CN(C)C1=O;SMJSOVABQJLWFQ-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146970;MM146970;C#CC1(C)CN(N)C1=O;VZWOQHODWRTNJY-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146971;MM146971;C#CC1(O)CN(C)C1=O;OWRPKPAZIAWKEY-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146972;MM146972;C#CC1(O)CN(N)C1=O;OCRGRYJJRNJDLJ-UHFFFAOYSA-N;126.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146973;MM146973;C#CC1(F)CN(C)C1=O;SFCMOUVFUIESPT-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146974;MM146974;CCC1CC(C)(CC)C1;GKVIZRQZVORYHH-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146975;MM146975;CCC1(C)CC(CN)C1;OMOIYCYOSOVCFJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146976;MM146976;C#CCNNC(C=C)=NO;RQEYWEUSHZAWHD-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146977;MM146977;CCC1(C)CC(CF)C1;DSAZZPIBSHRIBD-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146978;MM146978;CCC1CC(C)(CN)C1;PJDYIUFLYMYEMT-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146979;MM146979;CC1(CN)CC(CN)C1;DWIWXDWLQKUCJC-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146980;MM146980;CC1(CN)CC(CO)C1;VPBKRQSETFGCSD-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146981;MM146981;CC1(CN)CC(CF)C1;NYEFFORXRNVRAU-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146982;MM146982;C=CC(=NO)C(N)=CC=O;OERIZEVAARKCBD-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146983;MM146983;CC1(CO)CC(CN)C1;PPBUVZSJLJJQBG-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146984;MM146984;C=Nn1ccc(CC#N)n1;GHWLWRQULIVWED-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146985;MM146985;CCC1CC(C)(CF)C1;RCDPEYNDFFJCBN-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146986;MM146986;CC1(CF)CC(CN)C1;NURNIYQYEXZXCT-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146987;MM146987;CCC1CC(N)(CC)C1;IIVHWMMBMXYJCF-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146988;MM146988;CCC1(N)CC(CN)C1;CRIOKGMIALXCJP-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146989;MM146989;CCC1(N)CC(CO)C1;FOVPPTSYYUAKSI-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146990;MM146990;CCC1(N)CC(CF)C1;TVFNKNPPIDYDLC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146991;MM146991;CCC1CC(N)(CN)C1;UHYNVHYTINCSEZ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146992;MM146992;NCC1CC(N)(CN)C1;YNHCFNRYJNJKFO-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146993;MM146993;NCC1(N)CC(CO)C1;MDNKJTSJBDAITG-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146994;MM146994;NCC1(N)CC(CF)C1;IBZSYCIKSCRZNR-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146995;MM146995;CCC1CC(N)(CO)C1;UFDICTPCGYDJGO-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146996;MM146996;NCC1CC(N)(CO)C1;BQRPOVGDZCRZRF-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146997;MM146997;NC1(CO)CC(CF)C1;ICHIMLZKCIJZLW-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146998;MM146998;CCC1CC(N)(CF)C1;MJMBDZZRLGSANH-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM146999;MM146999;NCC1CC(N)(CF)C1;QUHXVHYCLRBJLS-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147000;MM147000;NC1(CF)CC(CO)C1;VJGATWBCZRLLFN-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147001;MM147001;NC1(CF)CC(CF)C1;QLYJKGKKUAHXIE-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147002;MM147002;N#Cc1c[nH]c(N=O)c1N;POINDAGGRWIJSM-UHFFFAOYSA-N;136.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147003;MM147003;CCC1(O)CC(CN)C1;CTXNJMPZCFRERU-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147004;MM147004;CCC1(O)CC(CO)C1;WVRZQRHJPDKZSW-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147005;MM147005;CCC1(O)CC(CF)C1;ISMSAJMGMJWPRV-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147006;MM147006;CCC1CC(O)(CN)C1;RMIKPFRMRMPWKF-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147007;MM147007;NCC1CC(O)(CN)C1;IDFJHXYOBRQDOK-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147008;MM147008;NCC1(O)CC(CO)C1;GIMKTRWLWYTOJK-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147009;MM147009;NCC1(O)CC(CF)C1;ZAPBPCMOWYLDGE-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147010;MM147010;CCC1CC(O)(CO)C1;YZWTZZODNVFTHG-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147011;MM147011;NCC1CC(O)(CO)C1;OBRFMQYLIRWQPK-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147012;MM147012;OCC1CC(O)(CO)C1;VKBULKWGBSVDPC-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147013;MM147013;OCC1(O)CC(CF)C1;QZTPUAYWDKWZOH-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147014;MM147014;CCC1CC(O)(CF)C1;UBTJRZMSNKHLRQ-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147015;MM147015;NCC1CC(O)(CF)C1;PIEVQAZHNFLWFQ-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147016;MM147016;OCC1CC(O)(CF)C1;HLLOGYATENPSIY-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147017;MM147017;OC1(CF)CC(CF)C1;CGHYUJSSRINNDJ-UHFFFAOYSA-N;136.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147018;MM147018;CCC1CC(F)(CC)C1;LEXLSKQLTHQVMA-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147019;MM147019;CCC1(F)CC(CN)C1;YRORZGZMOJKCSE-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147020;MM147020;CCC1(F)CC(CO)C1;PARFGEWDHPTDNL-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147021;MM147021;CCC1(F)CC(CF)C1;SWDNOHHINPBNGE-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147022;MM147022;CCC1CC(F)(CN)C1;BGBCBUAILACBGR-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147023;MM147023;NCC1CC(F)(CN)C1;JHAMZNGTARJZFY-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147024;MM147024;NCC1(F)CC(CO)C1;VCWCTCUCWPOMBP-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147025;MM147025;NCC1(F)CC(CF)C1;TUBFHKFYWKGCCB-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147026;MM147026;CCC1CC(F)(CO)C1;VKLUIUAPWQAAFU-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147027;MM147027;NCC1CC(F)(CO)C1;NIIMCYQLISFMQL-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147028;MM147028;OCC1CC(F)(CO)C1;CVRPTEHWPCNWOX-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147029;MM147029;OCC1(F)CC(CF)C1;XNSYJLXDFDOYGS-UHFFFAOYSA-N;136.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147030;MM147030;CCC1CC(F)(CF)C1;CTPGOKKXFGOCPY-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147031;MM147031;NCC1CC(F)(CF)C1;WFALWZQWNJOFGL-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147032;MM147032;OCC1CC(F)(CF)C1;KGMFSTGOILSTCJ-UHFFFAOYSA-N;136.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147033;MM147033;FCC1CC(F)(CF)C1;YIDIMDRGXYEQOE-UHFFFAOYSA-N;138.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147034;MM147034;CCC1(C)CC(NC)C1;URUKRMPJYMDIKX-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147035;MM147035;CNC1CC(C)(CN)C1;GGUDISQQAXKHIN-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147036;MM147036;CNC1CC(C)(CO)C1;BASGIFZFAGYNNV-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147037;MM147037;CNC1CC(C)(CF)C1;MAANEFRAHQQASU-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147038;MM147038;CCC1(N)CC(NC)C1;SMSRNDUVOUZVNT-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147039;MM147039;CNC1CC(N)(CN)C1;HJCXYJARJRVHCS-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147040;MM147040;CNC1CC(N)(CO)C1;XEDWTBQMLMTLJN-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147041;MM147041;CNC1CC(N)(CF)C1;WGLCQVNFAPJRIS-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147042;MM147042;CCC1(O)CC(NC)C1;YMEXZLDUHAOJRI-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147043;MM147043;CNC1CC(O)(CN)C1;HQHPYOFXDNPNSJ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147044;MM147044;CNC1CC(O)(CO)C1;BUXHGQXVNKXNPE-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147045;MM147045;CNC1CC(O)(CF)C1;MGSZLQCBUACVEA-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147046;MM147046;CCC1(F)CC(NC)C1;UYWREAVRYDBHGP-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147047;MM147047;CNC1CC(F)(CN)C1;PXJWIKDSNQYJCQ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147048;MM147048;CNC1CC(F)(CO)C1;PJZAWWGEYNAYIO-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147049;MM147049;CNC1CC(F)(CF)C1;LVGFJXWSMVMVKJ-UHFFFAOYSA-N;135.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147050;MM147050;CCC1(C)CC(OC)C1;BVNBVYFVJVFYGM-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147051;MM147051;COC1CC(C)(CN)C1;FXPDIFAMRJSYEH-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147052;MM147052;COC1CC(C)(CO)C1;PALFSHDDGDTGBW-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147053;MM147053;COC1CC(C)(CF)C1;ZPNCOADVTMHOQX-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147054;MM147054;CCC1(N)CC(OC)C1;WBWBRSZPHKAGRM-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147055;MM147055;COC1CC(N)(CN)C1;WZOQSMQRUJDPAP-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147056;MM147056;COC1CC(N)(CO)C1;GABGJVGCAVUBFJ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147057;MM147057;COC1CC(N)(CF)C1;PDUSAJKTQNMLIX-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147058;MM147058;CCC1(O)CC(OC)C1;XMWXLPDTPPRLFQ-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147059;MM147059;COC1CC(O)(CN)C1;IVFAUDJPKUYZNC-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147060;MM147060;COC1CC(O)(CO)C1;MZKWDWSUPPAWND-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147061;MM147061;COC1CC(O)(CF)C1;UZTPLIRALZOXFO-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147062;MM147062;CCC1(F)CC(OC)C1;VCLYKBOJVBOPOK-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147063;MM147063;COC1CC(F)(CN)C1;RUNSRMUNXWMCOF-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147064;MM147064;COC1CC(F)(CO)C1;CPBAYVDRCLYJBS-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147065;MM147065;COC1CC(F)(CF)C1;QJPZZJZTHHHNPD-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147066;MM147066;CCC1CC(C)(NC)C1;ZCMZIGQZDAGGLH-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147067;MM147067;CNC1(C)CC(CN)C1;YSLZTURUMDXDLK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147068;MM147068;CNC1(C)CC(CO)C1;XDWXXDIXNLOPSK-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147069;MM147069;CNC1(C)CC(CF)C1;VXBQRCBVSAXJMP-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147070;MM147070;CNC1CC(C)(NC)C1;DQHNJAQEKCSVLH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147071;MM147071;CNC1(C)CC(OC)C1;DCFYDKLUCLYDKM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147072;MM147072;CCC1CC(C)(OC)C1;ODVWGYRSRSEDNY-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147073;MM147073;COC1(C)CC(CN)C1;DEEBLIMAFWVYMC-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147074;MM147074;COC1(C)CC(CO)C1;ZUZGJFROBOGVEU-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147075;MM147075;COC1(C)CC(CF)C1;OKAQKMYSGXAVHH-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147076;MM147076;CNC1CC(C)(OC)C1;KCFAVMRYCXWOCJ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147077;MM147077;COC1CC(C)(OC)C1;OHMDQFPHVMVAPH-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147078;MM147078;CCC1CC(C)(CC)N1;YBEFSKYQUJONNC-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147079;MM147079;CCC1(C)CC(CN)N1;AENIXKSFBPGMBV-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147080;MM147080;CCC1(C)CC(CO)N1;AEWZUPJJSQBXEZ-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147081;MM147081;CCC1(C)CC(CF)N1;JCDZSMMAAOASGE-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147082;MM147082;CCC1CC(C)(CN)N1;ATWAFLQEWGVASU-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147083;MM147083;CC1(CN)CC(CN)N1;JDCBJOWPINBSLK-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147084;MM147084;CC1(CN)CC(CO)N1;PIUYOFPTSCQDCP-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147085;MM147085;CC1(CN)CC(CF)N1;DOBNERGVCOVUGW-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147086;MM147086;CCC1CC(C)(CO)N1;MGRHOMGAMVAVKJ-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147087;MM147087;CC1(CO)CC(CN)N1;PBFJPWAKESRFIX-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147088;MM147088;CC1(CO)CC(CO)N1;HAFCPMOCBRAXTP-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147089;MM147089;CC1(CO)CC(CF)N1;KNBKNCYYPYKLCN-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147090;MM147090;CCC1CC(C)(CF)N1;HUZFKJCQWSSERR-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147091;MM147091;CCC1CC(C)(CC)O1;SICZKYGKEYXAHJ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147092;MM147092;CCC1(C)CC(CN)O1;JECIHIGGUJZIPA-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147093;MM147093;CCC1(C)CC(CO)O1;BFBQTAHGSRVSTA-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147094;MM147094;CCC1(C)CC(CF)O1;WAEPEARHAXZLQK-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147095;MM147095;CCC1CC(C)(CN)O1;BWIXPAGEGJWABP-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147096;MM147096;CC1(CN)CC(CN)O1;TXZMTZHWKSCWCP-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147097;MM147097;CC1(CN)CC(CO)O1;DUTAQENBYJUYLL-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147098;MM147098;CC1(CN)CC(CF)O1;YMMQFJGZLGHWHA-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147099;MM147099;CCC1CC(C)(CO)O1;ALJPFHIBJXBKMY-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147100;MM147100;CC1(CO)CC(CN)O1;YWVHYSXJHDXFCY-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147101;MM147101;CC1(CO)CC(CO)O1;WQBBPYLFTUKPJB-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147102;MM147102;CCC1CC(C)(CF)O1;UTCUPSBIBKDFFQ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147103;MM147103;CC1(CF)CC(CO)O1;MGPBGJQFRZYBJF-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147104;MM147104;CCN1CC(C)(CC)C1;VXZHGZILUWURMF-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147105;MM147105;CCN1CC(C)(CN)C1;YLNCWCYOBVLAFC-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147106;MM147106;CCN1CC(N)(CC)C1;XLKAYXZILKTLEV-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147107;MM147107;CCN1CC(N)(CN)C1;DRGCKRNASZVDSM-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147108;MM147108;CCN1CC(N)(CO)C1;GKNGJIHOIPSFMQ-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147109;MM147109;CCN1CC(O)(CN)C1;IPSXOFFMGMUHID-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147110;MM147110;CCN1CC(F)(CC)C1;WSXYYPFDGUVULR-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147111;MM147111;CCN1CC(F)(CN)C1;GMSMUAFYNHRUMP-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147112;MM147112;CCC1=CCC(C#N)=C1N;ZKCCKCNHXUBRRL-UHFFFAOYSA-N;134.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147113;MM147113;CCN1CC(C)(NC)C1;HBPFRYTUJGBAGO-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147114;MM147114;C=CC1CC(C)(CC)C1;NYBLEMQHDUODDV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147115;MM147115;CCC1(C)CC(C=O)C1;NMHDFNVPRMMQPJ-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147116;MM147116;CCC1(C)CC(C#N)C1;CLBQBBORFCEPGL-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147117;MM147117;C=CC1CC(C)(CN)C1;PLGFEUKQZNXJOC-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147118;MM147118;N#CC=NNC(=N)C1CN1;FDCVQCZZHBPJAL-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147119;MM147119;NNC(=O)NN;XEVRDFDBXJMZFG-UHFFFAOYSA-N;90.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147120;MM147120;CNNC(=O)CO;LQDDREQIYMGKEU-UHFFFAOYSA-N;104.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147121;MM147121;C=CC1CC(N)(CC)C1;OSVDUYXNBNIYMV-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147122;MM147122;C=CC1CC(N)(CN)C1;YAWKARCJUIZHSA-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147123;MM147123;C=CC1CC(N)(CO)C1;UQAPCFOMHPBYGP-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147124;MM147124;C=CC1CC(N)(CF)C1;ALPJZUYOZFEPRL-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147125;MM147125;NC(=O)C(N)C(F)F;OOLWLCQCAFPCTQ-UHFFFAOYSA-N;124.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147126;MM147126;CCC1(O)CC(C=O)C1;ILMWQLVWNRROQP-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147127;MM147127;CCC1(O)CC(C#N)C1;UZOGPNZLCARSSV-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147128;MM147128;C=CC1CC(O)(CN)C1;SGULYXCOQNMZFW-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147129;MM147129;C=CC1CC(O)(CO)C1;XGLRDZXBCCRYSE-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147130;MM147130;O=CC1CC(O)(CO)C1;NIXGEKVQSNAGDV-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147131;MM147131;N#CC1CC(O)(CO)C1;QKHQERLODXTYJW-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147132;MM147132;C=CC1CC(O)(CF)C1;CPHKRYSGVSTGFL-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147133;MM147133;O=CC1CC(O)(CF)C1;RGPGONQJOBGQHE-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147134;MM147134;N#CC1CC(O)(CF)C1;UYCSKMRVYFOXIU-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147135;MM147135;C=CC1CC(F)(CC)C1;JYIWKOGATIFDOF-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147136;MM147136;CCC1(F)CC(C=O)C1;YPEPMEYRAPDWIX-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147137;MM147137;CCC1(F)CC(C#N)C1;VZUNYPXUZOQZFW-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147138;MM147138;C=CC1CC(F)(CN)C1;TUHKJWMMFHOGEM-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147139;MM147139;C=CC1CC(F)(CO)C1;ACDHOZZMNAOCSP-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147140;MM147140;O=CC1CC(F)(CO)C1;SLOJSBFVYDMGPD-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147141;MM147141;N#CC1CC(F)(CO)C1;IKMSVZCBFIMCRS-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147142;MM147142;C=CC1CC(F)(CF)C1;GZGURWVDKGSWER-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147143;MM147143;O=CC1CC(F)(CF)C1;DUONQNTZIMYAJE-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147144;MM147144;N#CC1CC(F)(CF)C1;PQURVLYFPGNGFO-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147145;MM147145;C=CC1CC(C)(NC)C1;ZTFWWYVRUHEGPQ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147146;MM147146;CNC1(C)CC(C=O)C1;LFEVZRUDAGVHMM-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147147;MM147147;CNC1(C)CC(C#N)C1;BISBCNFLMLKEKT-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147148;MM147148;C=CC1CC(C)(OC)C1;KRGADKZOIRWPJT-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147149;MM147149;COC1(C)CC(C=O)C1;HPEFMXHFZFTCON-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147150;MM147150;COC1(C)CC(C#N)C1;SMGSUSPUNDHUIB-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147151;MM147151;C=CC1CC(C)(CC)N1;QHWKJWITHWPGPF-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147152;MM147152;CCC1(C)CC(C=O)N1;WAPHRYLNXKRIMM-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147153;MM147153;CCC1(C)CC(C#N)N1;UJEMSFKJNKOZQA-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147154;MM147154;C=CC1CC(C)(CN)N1;FBPZRMKFKMRBKY-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147155;MM147155;C=CC1CC(C)(CO)N1;XUTUSGSPOZHWOK-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147156;MM147156;N=C1C(F)C=CN1O;VPSHCEDNKPYJOW-UHFFFAOYSA-N;116.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147157;MM147157;C=CC1CC(C)(CC)O1;LJQCGSKUASDGJT-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147158;MM147158;CCC1(C)CC(C=O)O1;FLXUZLCWLJCZSX-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147159;MM147159;CCC1(C)CC(C#N)O1;ZMGNTLJEUQTJTB-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147160;MM147160;C=CC1CC(C)(CN)O1;FZAVJDGTMZASFE-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147161;MM147161;C=CC1CC(C)(CO)O1;ZUGGHMQXBUABDL-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147162;MM147162;CC1(CO)CC(C=O)O1;WJWYBMZMDBZCIV-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147163;MM147163;CC1(CO)CC(C#N)O1;JGNIRAKZSMBUAZ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147164;MM147164;CC1(CF)CC(C=O)O1;ZRJPVLKNYWSHLN-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147165;MM147165;CC1(CF)CC(C#N)O1;ZDVSSNQRIRDAMS-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147166;MM147166;CCC1(C)CN(C=N)C1;AXMKIWFKJSCLSC-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147167;MM147167;CCC1(C)CN(C=O)C1;UOVLLZWGTIHRJY-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147168;MM147168;CC1(CN)CN(C=N)C1;AFHAKKLLDJFENB-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147169;MM147169;CC1(CN)CN(C=O)C1;AEOLNIOBSODNKB-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147170;MM147170;CC1(CO)CN(C=N)C1;XBBLQZHFMJGKKB-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147171;MM147171;CC1(CO)CN(C=O)C1;AQJATVMFASSYAU-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147172;MM147172;CC1(CF)CN(C=N)C1;WQAVPNLLSQFVQT-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147173;MM147173;CC1(CF)CN(C=O)C1;PLYSHXRZGAYMAE-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147174;MM147174;CCC1(N)CN(C=N)C1;PFKDNMYNMLGNJN-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147175;MM147175;CCC1(N)CN(C=O)C1;KSVYPRXGVISVSI-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147176;MM147176;N=CN1CC(N)(CN)C1;DZSAAUHLAXCTNP-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147177;MM147177;NCC1(N)CN(C=O)C1;VBZMMENNAMBPBS-UHFFFAOYSA-N;129.16;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147178;MM147178;N=CN1CC(N)(CO)C1;JVXXFJQCVHUAQQ-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147179;MM147179;NC1(CO)CN(C=O)C1;QONZXIHNPLISOI-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147180;MM147180;N=CN1CC(N)(CF)C1;JKDXTNMHHPILSW-UHFFFAOYSA-N;131.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147181;MM147181;CCC1(O)CN(C=N)C1;PCVDXOWWUATIPQ-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147182;MM147182;CCC1(O)CN(C=O)C1;MAYKOWKOFHFFPZ-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147183;MM147183;N=CN1CC(O)(CN)C1;IPOQWBDPAIDEOG-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147184;MM147184;NCC1(O)CN(C=O)C1;PIVVJVQONHNMKJ-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147185;MM147185;N=CN1CC(O)(CO)C1;UBMTYZLWSGAHLR-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147186;MM147186;O=CN1CC(O)(CO)C1;GNEIUBVGUQVCSL-UHFFFAOYSA-N;131.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147187;MM147187;N=CN1CC(O)(CF)C1;TTXJIOQXOLGFPC-UHFFFAOYSA-N;132.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147188;MM147188;O=CN1CC(O)(CF)C1;TVONTHSWJNZNJP-UHFFFAOYSA-N;133.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147189;MM147189;CCC1(F)CN(C=N)C1;WUGDPRRMQJJKFV-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147190;MM147190;CCC1(F)CN(C=O)C1;IHTRVISXXCNTHH-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147191;MM147191;N=CN1CC(F)(CN)C1;NLIJKYDCYRVNPH-UHFFFAOYSA-N;131.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147192;MM147192;NCC1(F)CN(C=O)C1;HXGPJKPIAKYJII-UHFFFAOYSA-N;132.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147193;MM147193;N=CN1CC(F)(CO)C1;OHUIGZDLZWFWAK-UHFFFAOYSA-N;132.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147194;MM147194;O=CN1CC(F)(CO)C1;RRYRZJFKWYJBPL-UHFFFAOYSA-N;133.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147195;MM147195;N=CN1CC(F)(CF)C1;AELCBRSKUUDWGS-UHFFFAOYSA-N;134.13;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147196;MM147196;C=NN1CC(C)(CC)C1;DNDSJEQSAQASAT-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147197;MM147197;C=NN1CC(C)(CN)C1;XBZKUTWTDPKNKR-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147198;MM147198;N#CCC(=O)C1CN1;ODDLUAPMZQQNLU-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147199;MM147199;C=NN1CC(C)(CF)C1;XHIIXTRAGGMZBM-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147200;MM147200;C=NN1CC(N)(CC)C1;CNOSTSIKVTYIQS-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147201;MM147201;C=NN1CC(N)(CN)C1;QGPDQUKUXHDMME-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147202;MM147202;CN(C=NO)C1CC1;XLEKIMWNXJNQSE-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147203;MM147203;C=NN1CC(O)(CN)C1;PTMSJPDSFYKZIW-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147204;MM147204;CCNNC(=O)CCF;NADRZXQWIVUUKW-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147205;MM147205;COC1=NC(C#N)CN1;PISCMDHXRHBPOG-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147206;MM147206;C=NN1CC(F)(CC)C1;FTKUBKIJTITFMO-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147207;MM147207;C=NN1CC(F)(CN)C1;LKLVPBDJVILIGY-UHFFFAOYSA-N;131.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147208;MM147208;C=CC1CN1C(C)=NO;MWGSIABXSGCIBO-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147209;MM147209;CNC1(C)CN(C=N)C1;SQLQVHFVHOAUDB-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147210;MM147210;CNC1(C)CN(C=O)C1;XHVDPOLXHLISBW-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147211;MM147211;COC1(C)CN(C=N)C1;ISKMGYFIMARCRS-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147212;MM147212;COC1(C)CN(C=O)C1;AFAFRGODWHORAZ-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147213;MM147213;C=NN1CC(C)(OC)C1;IQECZUHNCJCKLG-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147214;MM147214;C#CC1CC(C)(CC)C1;RGYNHWVPHNGARO-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147215;MM147215;C#CC1CC(C)(CN)C1;HTHMMZOJMWERCX-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147216;MM147216;C=NOCC#CCC#N;RSWZNXJRCIMYAQ-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147217;MM147217;C#CC1CC(N)(CC)C1;NOTMIOXVXJMFKQ-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147218;MM147218;C#CC1CC(N)(CN)C1;JTCBVYBOMKPPMF-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147219;MM147219;C#CC1CC(N)(CO)C1;IYXJGPKAWFLJPC-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147220;MM147220;C#CC1CC(N)(CF)C1;KAVBSDSBPNZCBN-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147221;MM147221;CC(O)(CCO)C(=O)NN;SYEGJPMLIPCHBN-UHFFFAOYSA-N;148.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147222;MM147222;C#CC1CC(O)(CN)C1;WDMFERFCZLYQCQ-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147223;MM147223;C#CC1CC(O)(CO)C1;LJWCBUOUPGHOSI-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147224;MM147224;C#CC1CC(O)(CF)C1;ZUUPFPMDDVOMRJ-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147225;MM147225;C#CC1CC(F)(CC)C1;OGZCNNPJFRCEHJ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147226;MM147226;C#CC1CC(F)(CN)C1;HKOUQTZJJQDKDZ-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147227;MM147227;C#CC1CC(F)(CO)C1;FCAIVGDQHASSCU-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147228;MM147228;C#CC1CC(F)(CF)C1;MQPDALBIBNVYOS-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147229;MM147229;C#CC1CC(C)(NC)C1;UBOOPUBCHRCTTO-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147230;MM147230;C#CC1CC(C)(OC)C1;MZMDIDHLJMZKJY-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147231;MM147231;C#CC1CC(C)(CC)N1;DDHHNOYWBVIYJO-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147232;MM147232;C#CC1CC(C)(CN)N1;OZYPXMKMEZUZDO-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147233;MM147233;C#CC1CC(C)(CO)N1;MMPJOOYMEXTPCG-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147234;MM147234;C#CC1CC(C)(CC)O1;VQRBPYSXTRVRSW-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147235;MM147235;C#CC1CC(C)(CN)O1;GYSASDZEJCGJHQ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147236;MM147236;C#CC1CC(C)(CO)O1;CCTAEAYNKOEKMM-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147237;MM147237;C#CC1CC(C)(CF)O1;LLWNCHRLKBLHNS-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147238;MM147238;C=CC1(C)CC(CC)C1;UMCXJOKYLADRKK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147239;MM147239;C=CC1(C)CC(CN)C1;BCEQLPNJQVRQSQ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147240;MM147240;C=CC(O)(C=NN)C(C)F;WTUPBMWJZAMZTH-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147241;MM147241;C=CC1(C)CC(CF)C1;LKDFBXPAJFQBBE-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147242;MM147242;CCC1CC(C)(C=O)C1;BCBYEDXHGJMIPV-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147243;MM147243;CCC1CC(C)(C#N)C1;HVOGEGAOBQLDIY-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147244;MM147244;CCC(O)CN(C)C=NO;QKMBNVUEWIGFPE-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147245;MM147245;C=NNC(=NC(C)=O)NN;SBJXBJBHZGECCQ-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147246;MM147246;CC1(C=O)CC(CF)C1;QMSJMNZKZVMMIE-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147247;MM147247;CC1(C#N)CC(CF)C1;SOJXIHVFMVVQAC-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147248;MM147248;C=CC1(N)CC(CC)C1;UTTIOLJWSZWBEM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147249;MM147249;C=CC1(N)CC(CN)C1;HBKGVDZBHLXGTQ-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147250;MM147250;C=CC1(N)CC(CO)C1;KPYYHUVUFLACGO-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147251;MM147251;C=CC1(N)CC(CF)C1;CNMPCZKGJHMABP-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147252;MM147252;CCN=C(C)NN=CC#N;LSFRJRWOXATVOI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147253;MM147253;C=CC1(O)CC(CN)C1;YNEHIVRJJGNIPP-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147254;MM147254;C=CC1(O)CC(CO)C1;GDCWVHIZSYGHGF-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147255;MM147255;C=CC1(O)CC(CF)C1;DASPNQSUVOGEJN-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147256;MM147256;CCC1CC(O)(C=O)C1;APDHSDBAWGQHQI-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147257;MM147257;CCC1CC(O)(C#N)C1;JJKBXVRSYSJUQK-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147258;MM147258;O=CC1(O)CC(CO)C1;PYEDQHBLACTFFV-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147259;MM147259;N#CC1(O)CC(CO)C1;VDPDBPHBLZDKDK-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147260;MM147260;O=CC1(O)CC(CF)C1;MWDOEJLCGJPDOE-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147261;MM147261;N#CC1(O)CC(CF)C1;CIICYVBVHPMHHR-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147262;MM147262;C=CC1(F)CC(CC)C1;ZHHODNNQZJUCKH-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147263;MM147263;C=CC1(F)CC(CN)C1;MKCMQTIDNOUKMI-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147264;MM147264;C=CC1(F)CC(CO)C1;XGNUJHHFYVGPHL-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147265;MM147265;C=CC1(F)CC(CF)C1;OHBUQPKNBOEPCG-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147266;MM147266;CCC1CC(F)(C=O)C1;MJLODGLFYJPDFU-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147267;MM147267;CCC1CC(F)(C#N)C1;BKVPSLWVWYZBFR-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147268;MM147268;N#CC1(F)CC(CF)C1;QUTSKWROFLYWEW-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147269;MM147269;C=CC1(C)CC(NC)C1;ZINKGEXKNUFTOS-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147270;MM147270;CNC1CC(C)(C=O)C1;HXYIUFKXEMYBDF-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147271;MM147271;CNC1CC(C)(C#N)C1;UZAVLGPWVQDGDX-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147272;MM147272;C=CC1(N)CC(NC)C1;DWXPTWZRNRNIDX-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147273;MM147273;C=CC1(O)CC(NC)C1;PGRZSKOQAKBCFE-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147274;MM147274;CNC1CC(O)(C=O)C1;NCMKHYZDFSTWLN-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147275;MM147275;CNC1CC(O)(C#N)C1;XEEJSVXTNXNAKG-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147276;MM147276;C=CC1(F)CC(NC)C1;UYNKKBNRUQIDBL-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147277;MM147277;CNC1CC(F)(C=O)C1;BUGADHNRJYCAMN-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147278;MM147278;CNC1CC(F)(C#N)C1;GYSBEPALMAPWHX-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147279;MM147279;C=CC1(C)CC(OC)C1;DICHWQYAZOOWJL-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147280;MM147280;COC1CC(C)(C=O)C1;IVDXEACYKPEVEQ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147281;MM147281;COC1CC(C)(C#N)C1;QSIKMVFROOFRAZ-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147282;MM147282;C=CC1(N)CC(OC)C1;WBIHBYABADDWAQ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147283;MM147283;C=CC1(O)CC(OC)C1;ODSLFLBCLQZAGP-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147284;MM147284;COC1CC(O)(C=O)C1;SAMNHGXDESCFCB-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147285;MM147285;COC1CC(O)(C#N)C1;ZBYOPUYYHBTPGF-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147286;MM147286;C=CC1(F)CC(OC)C1;LNIQMLZBHXDFPX-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147287;MM147287;COC1CC(F)(C=O)C1;ZACLVMCASUFUIB-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147288;MM147288;COC1CC(F)(C#N)C1;AVOVBIZHZAAZBZ-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147289;MM147289;C=CC1(C)CC(CC)N1;TWQWTHSTNXGGBV-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147290;MM147290;C=CC1(C)CC(CN)N1;XFFKHFLINCBKHJ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147291;MM147291;C=CC1(C)CC(CO)N1;PJELELJYCPBZNE-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147292;MM147292;C=CC1(C)CC(CF)N1;DJWWRNYDMUFVQS-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147293;MM147293;CCC1CC(C)(C=O)N1;OOFVBCWWVWNGEK-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147294;MM147294;CCC1CC(C)(C#N)N1;GIRGMIHYBYWZQY-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147295;MM147295;CN(N)C(=O)C(F)C=CF;CCDRKSBYMLBJBI-UHFFFAOYSA-N;150.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147296;MM147296;CC1(C#N)CC(CF)N1;RBEVVUUASSILRP-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147297;MM147297;C=CC1(C)CC(CC)O1;DBBYHLZBWQEWAD-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147298;MM147298;C=CC1(C)CC(CN)O1;VEWSPNRIQQJMJA-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147299;MM147299;C=CC1(C)CC(CO)O1;YORQSVUEDAIQTH-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147300;MM147300;C=CC1(C)CC(CF)O1;ORDAGVMIKVWACF-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147301;MM147301;CCC1CC(C)(C=O)O1;YHKVUXYHHXMZKV-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147302;MM147302;CCC1CC(C)(C#N)O1;ZXNRCXPEHJILQH-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147303;MM147303;CC1(C=O)CC(CO)O1;QJZJQRSVMHAPKK-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147304;MM147304;CC1(C#N)CC(CO)O1;AQLOIGWWRNMPEA-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147305;MM147305;CC1(C=O)CC(CF)O1;ZVZQTDMRPBYBIH-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147306;MM147306;CC1(C#N)CC(CF)O1;APIWHTYBAASLCX-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147307;MM147307;C=CC1(C)CN(CC)C1;CAPSRNZQCNNSHZ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147308;MM147308;CCN1CC(C)(C#N)C1;OUKOGKSVDNSJTH-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147309;MM147309;C=CC1(N)CN(CC)C1;LKHDFOFOKAJEFH-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147310;MM147310;C=CCC1(C)CN1C=NO;SICCMGNANDBZMY-UHFFFAOYSA-N;140.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147311;MM147311;C#CC(C)NC(=NO)NO;SJOBEWRTJCWRPQ-UHFFFAOYSA-N;143.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147312;MM147312;C=CC1(F)CN(CC)C1;JVKOUJOLBDARMX-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147313;MM147313;CCN1CC(F)(C=O)C1;CYJSEZGSAJVYJE-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147314;MM147314;CCN1CC(F)(C#N)C1;ZNMLXBRWNXYMNI-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147315;MM147315;C=CC1CC(C)(C=C)C1;AUVAAVYIFMFOBF-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147316;MM147316;C=CC1(C)CC(C=O)C1;PZGKWYWVUFMGJA-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147317;MM147317;C=CC1(C)CC(C#N)C1;WZLSMRFADCVWFW-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147318;MM147318;C=CC1CC(C)(C=O)C1;GUYGTTAQXPQNMP-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147319;MM147319;C=CC1CC(C)(C#N)C1;NDFMXTHAJFUNSQ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147320;MM147320;CC1(C=O)CC(C=O)C1;WWQJEUXPAFHTSY-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147321;MM147321;CC1(C=O)CC(C#N)C1;YVTKMZPULHMQKV-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147322;MM147322;CC1(C#N)CC(C=O)C1;QBODKQVJOSTLGQ-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147323;MM147323;CC1(C#N)CC(C#N)C1;MRVKYRVGGOHAQO-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147324;MM147324;C=CC1CC(N)(C=C)C1;RSHJKDPQTJSWTN-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147325;MM147325;C=CC(=NO)C(C)=CCC;FEXJTLUYJBFTHS-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147326;MM147326;C=CC1(O)CC(C=O)C1;LJWNYAGGPPCXIX-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147327;MM147327;C=CC1(O)CC(C#N)C1;INNKVXVXSJUCOM-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147328;MM147328;C=CC1CC(O)(C=O)C1;IWRREBWWFIKYRU-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147329;MM147329;C=CC1CC(O)(C#N)C1;NCEWGDRICXJVRH-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147330;MM147330;O=CC1CC(O)(C=O)C1;PPJORWSQZLZFMC-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147331;MM147331;N#CC1CC(O)(C=O)C1;ZGMNLSDAWUXBNY-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147332;MM147332;N#CC1(O)CC(C=O)C1;PGVBUBQMFNMHPF-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147333;MM147333;N#CC1CC(O)(C#N)C1;YAMNZIDNBHZDOG-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147334;MM147334;C=CC1CC(F)(C=C)C1;CSOSLUYBMZOCLP-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147335;MM147335;C=CC1(F)CC(C=O)C1;WDVNYXAVWGBUEU-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147336;MM147336;C=CC1(F)CC(C#N)C1;HFZFHNMANLBGLQ-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147337;MM147337;C=CC1CC(F)(C=O)C1;VYMZGYSBJXQMBU-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147338;MM147338;C=CC1CC(F)(C#N)C1;ULMLJKQORVRNBE-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147339;MM147339;O=CC1CC(F)(C=O)C1;LHDAZPZWJHESGM-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147340;MM147340;N#CC1CC(F)(C=O)C1;VTEFCJIZWALGQE-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147341;MM147341;N#CC1(F)CC(C=O)C1;DTNAGMJUPNOLJB-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147342;MM147342;N#CC1CC(F)(C#N)C1;HJYHARAOMYIALX-UHFFFAOYSA-N;124.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147343;MM147343;C=CC1CC(C)(C=C)N1;UXJUGWGFZNLRJH-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147344;MM147344;C=CC1(C)CC(C#N)N1;MRZJUKKARBMMEH-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147345;MM147345;C=CC1CC(C)(C#N)N1;MRQTVSJYVQIZND-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147346;MM147346;CC1(C=O)CC(C#N)N1;SUJKRTSILBBEHW-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147347;MM147347;C#CC1C=CN(N=C)C1=N;FVMJCFFUYOUUIV-UHFFFAOYSA-N;133.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147348;MM147348;CC1(C#N)CC(C#N)N1;PVQDTXLOADXXER-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147349;MM147349;C=CC1CC(C)(C=C)O1;IDFALJKYFMJNOG-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147350;MM147350;C=CC1(C)CC(C=O)O1;VONDAXDWXRMIHE-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147351;MM147351;C=CC1(C)CC(C#N)O1;DNKBOTVMRRIOPR-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147352;MM147352;C=CC1CC(C)(C=O)O1;SVIUJLGMOJGKFC-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147353;MM147353;C=CC1CC(C)(C#N)O1;PKIYILSOAWNFTN-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147354;MM147354;CC1(C=O)CC(C=O)O1;GEQTZTYMUYKLPH-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147355;MM147355;CC1(C=O)CC(C#N)O1;FUVLDJFGGCEIQM-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147356;MM147356;CC1(C#N)CC(C=O)O1;SGDGXJGQWBDOMW-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147357;MM147357;CC1(C#N)CC(C#N)O1;RLKKCEKTBVIWIF-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147358;MM147358;C=CC1(C)CN(C=N)C1;LEQGHMSFBZRILU-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147359;MM147359;C=CC1(C)CN(C=O)C1;BTMIQNQIFBPJFO-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147360;MM147360;CC1(C=O)CN(C=N)C1;BFUBSJAXJIVBOX-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147361;MM147361;CC1(C#N)CN(C=N)C1;NHTQLLGZQWDLNJ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147362;MM147362;CC1(C=O)CN(C=O)C1;IXNWFVLJQJLNJN-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147363;MM147363;CC1(C#N)CN(C=O)C1;VZDGHRRJDVZFJU-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147364;MM147364;C=CC1(N)CN(C=N)C1;QMNSBDMZEKIORD-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147365;MM147365;C=CC1(N)CN(C=O)C1;ZVAYITLYSDLRHF-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147366;MM147366;C=CC1(O)CN(C=N)C1;KCLTZZZQEZRRSN-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147367;MM147367;C=CC1(O)CN(C=O)C1;JDPGCNAHHRADIG-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147368;MM147368;N=CN1CC(O)(C=O)C1;VBNIIERFXBXOEF-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147369;MM147369;N#CC1(O)CN(C=N)C1;VJPOMPVNSGZIFS-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147370;MM147370;O=CN1CC(O)(C=O)C1;AKKJPMUDAYVNQP-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147371;MM147371;N#CC1(O)CN(C=O)C1;ROHKWIZDAFRBCG-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147372;MM147372;C=CC1(F)CN(C=N)C1;JZHAPNYIFPMSOC-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147373;MM147373;C=CC1(F)CN(C=O)C1;QYNFBPOVSQOKNG-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147374;MM147374;N=CN1CC(F)(C=O)C1;ONKPOQKQIUEQFA-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147375;MM147375;N#CC1(F)CN(C=N)C1;QGSQCUZCCDCRJG-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147376;MM147376;O=CN1CC(F)(C=O)C1;VYCJPJILQDLGPT-UHFFFAOYSA-N;131.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147377;MM147377;N#CC1(F)CN(C=O)C1;JORWRCDEUSGWJU-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147378;MM147378;C=CC1(C)CN(N=C)C1;AATFIEOKVNIVMG-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147379;MM147379;C=NN1CC(C)(C=O)C1;WOFQZBBSQQJDKF-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147380;MM147380;C=NN1CC(C)(C#N)C1;NNNFRKZSZRQDGR-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147381;MM147381;CC=NOCC#CCC#N;DPZOTVHKVQLOAX-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147382;MM147382;CC=CN=CNN=CC#N;MMDGFCRWBXGZTH-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147383;MM147383;C=NN1CC(O)(C#N)C1;WAYOCEQHARDJHG-UHFFFAOYSA-N;125.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147384;MM147384;C=CC1(F)CN(N=C)C1;KJJXXHAUYDMFDJ-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147385;MM147385;C=NN1CC(F)(C=O)C1;JJEZOAUULTVQJS-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147386;MM147386;C=NN1CC(F)(C#N)C1;OWCQBPDFONKPPO-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147387;MM147387;C#CC1CC(C)(C=C)C1;OQXATHVEPZDPRJ-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147388;MM147388;C#CC1CC(C)(C=O)C1;INARHPLRSYQLTJ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147389;MM147389;C#CC1CC(C)(C#N)C1;SFCJMRHJYABLOA-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147390;MM147390;C#CC1CC(N)(C=C)C1;UVHORINNFIDISD-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147391;MM147391;N#CC=NNC=NC=CF;WBMKRLVKQARFAI-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147392;MM147392;C#CC1CC(O)(C=O)C1;PWFZLKCFYTUYDZ-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147393;MM147393;C#CC1CC(O)(C#N)C1;ACDQVWXDRHMHHR-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147394;MM147394;C#CC1CC(F)(C=C)C1;BBQRCMMTMIYVGH-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147395;MM147395;C#CC1CC(F)(C=O)C1;ONDHXEINRXEVDF-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147396;MM147396;C#CC1CC(F)(C#N)C1;NRCQOTHMNLLJIN-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147397;MM147397;C#CC1CC(C)(C=C)N1;DGQQTNVEQVZTBM-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147398;MM147398;C#CC1CC(C)(C#N)N1;AAWBXGXEVPBDRI-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147399;MM147399;C#CC1CC(C)(C=C)O1;GOLUUXZCNVRFHD-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147400;MM147400;C#CC1CC(C)(C=O)O1;FRFORFRYSHQKIU-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147401;MM147401;C#CC1CC(C)(C#N)O1;CKHKKIHROIPGOK-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147402;MM147402;C#CC1(C)CC(CC)C1;VKIHBAKYSMISOI-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147403;MM147403;C#CC1(C)CC(CN)C1;HWKOSTLYMQFPSJ-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147404;MM147404;Cc1n[nH]c(C)n1;XYYXDARQOHWBPO-UHFFFAOYSA-N;97.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147405;MM147405;C#CC1(C)CC(CF)C1;PITGEPLDPSMXTB-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147406;MM147406;C#CC1(N)CC(CC)C1;YLHVMRWGFIGZDL-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147407;MM147407;C#CC1(N)CC(CN)C1;SVHAZTFSWJLXHT-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147408;MM147408;C#CC1(N)CC(CO)C1;JDUUULGQOHWLTL-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147409;MM147409;C#CC1(N)CC(CF)C1;LRZHQDYRPGRBHV-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147410;MM147410;C#CC1(O)CC(CC)C1;AKUXIQBYSFSYQB-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147411;MM147411;C#CC1(O)CC(CN)C1;RDUZSZNPDMMIJP-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147412;MM147412;C#CC1(O)CC(CO)C1;ADWNHKVNXMEIBF-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147413;MM147413;C#CC1(O)CC(CF)C1;JQGNJKZXWXBJDQ-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147414;MM147414;C#CC1(F)CC(CC)C1;UVBXNZCTIRKRPV-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147415;MM147415;C#CC1(F)CC(CN)C1;SWYXJDPFZGVTFG-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147416;MM147416;C#CC1(F)CC(CO)C1;MELJNFLMQZTBNQ-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147417;MM147417;C#CC1(C)CC(NC)C1;QCXDUQZQTODWOC-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147418;MM147418;C#CC1(N)CC(NC)C1;NPKVQDDQPZKQKR-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147419;MM147419;C#CC1(O)CC(NC)C1;FASCCJGLDQMMTL-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147420;MM147420;C#CC1(F)CC(NC)C1;NDQASTPLVZDNFI-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147421;MM147421;C#CC1(C)CC(OC)C1;MIIKYRWLRNRHBE-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147422;MM147422;C#CC1(N)CC(OC)C1;MKTLINYIEVWAAE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147423;MM147423;C#CC1(O)CC(OC)C1;JJGZTXIHBYGDOF-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147424;MM147424;C#CC1(F)CC(OC)C1;MZNOWHOUFFVERG-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147425;MM147425;C#CC1(C)CC(CC)N1;RXCNXMJLORDJKQ-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147426;MM147426;C#CC1(C)CC(CN)N1;XMPXNVWCENURBI-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147427;MM147427;C#CC1(C)CC(CO)N1;KAFWFYHOXQQJLL-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147428;MM147428;C#CC1(C)CC(CC)O1;WIPPYIZGMRMDFV-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147429;MM147429;C#CC1(C)CC(CN)O1;ZJGMPAYHPFTAIU-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147430;MM147430;C#CC1(C)CC(CO)O1;PCOXWFALRARDAJ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147431;MM147431;C#CC1(C)CC(CF)O1;LOHKGCZBDPLTTE-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147432;MM147432;C#CC1(C)CN(CC)C1;ULBKGOZLZLHOGE-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147433;MM147433;C#CC1(F)CN(CC)C1;MOXLOWGIPLZSER-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147434;MM147434;C#CC1(C)CC(C=C)C1;QHYFJRYRBUBPDK-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147435;MM147435;C#CC1(C)CC(C=O)C1;KOKWZTVGPDYHCV-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147436;MM147436;C#CC1(C)CC(C#N)C1;FYOMFOOJIGCENC-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147437;MM147437;C#CC1(N)CC(C=C)C1;LPQWCFWIVGMRAC-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147438;MM147438;C#CC1(O)CC(C=C)C1;QLRMHIIDGATGJV-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147439;MM147439;C#CC1(O)CC(C=O)C1;JUQBZWKDGQTTIW-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147440;MM147440;C#CC1(O)CC(C#N)C1;UXRYPXJAVNWFBX-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147441;MM147441;C#CC1(F)CC(C=C)C1;SVDWTNHBTQBOLI-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147442;MM147442;C#CC1(F)CC(C=O)C1;KESAEQFVEMMFPL-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147443;MM147443;C#CC1(F)CC(C#N)C1;QTDQKEISMKMZAE-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147444;MM147444;C#CC1(C)CC(C=C)N1;ZFNFFLISRPLMSG-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147445;MM147445;C#CC1(C)CC(C#N)N1;JJKJINVMWXVQGO-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147446;MM147446;C#CC1(C)CC(C=C)O1;BEPBCQXHVTUFTB-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147447;MM147447;C#CC1(C)CC(C=O)O1;DKWVRKFJDNHNDF-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147448;MM147448;C#CC1(C)CC(C#N)O1;FYBCONZKCHJHQS-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147449;MM147449;C#CC1(C)CN(C=N)C1;RWNQFWPIAUQEGC-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147450;MM147450;C#CC1(C)CN(C=O)C1;ROUYPJIQFXCGOH-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147451;MM147451;C#CC1(N)CN(C=N)C1;OQAXSDJRQRYQAL-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147452;MM147452;C#CC1(O)CN(C=N)C1;IYPPCJPHSADNRL-UHFFFAOYSA-N;124.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147453;MM147453;C#CC1(O)CN(C=O)C1;ITAAMLGDYFRHHS-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147454;MM147454;C#CC1(F)CN(C=N)C1;IQUDVJCVTCAPME-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147455;MM147455;C#CC1(F)CN(C=O)C1;UDXFWXCPTLUJRI-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147456;MM147456;C#CC1(C)CN(N=C)C1;BUIZPXFBIZHOLH-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147457;MM147457;C=CC(O)C(=O)NN;ZNJGVHNTFKBUQY-UHFFFAOYSA-N;116.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147458;MM147458;C#CC1(F)CN(N=C)C1;VZLFLHYONCKTTB-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147459;MM147459;C#CC1CC(C)(C#C)C1;HUUQXOFTOUPVLV-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147460;MM147460;C#CC1CC(N)(C#C)C1;VMJSKPBIJQFXOV-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147461;MM147461;C#CC1CC(O)(C#C)C1;YDRFBRKVZYVYKA-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147462;MM147462;C#CC1CC(F)(C#C)C1;STCOCKCXQDNIOH-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147463;MM147463;C#CC1CC(C)(C#C)O1;UCHDUFJTBCDENV-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147464;MM147464;CCC1(C)CC1C(C)C;IPAGBUSEOGPFFR-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147465;MM147465;CC(C)C1CC1(C)CN;STNLKZREMCQVRE-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147466;MM147466;COC(=O)CC(=O)NN;HLWKTSLMUJVIAY-UHFFFAOYSA-N;132.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147467;MM147467;CCC1(C)CC1C(C)N;CPMBLNJPXULQAJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147468;MM147468;CC(N)C1CC1(C)CN;WEBAXIITFOUOQF-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147469;MM147469;CC(N)C1CC1(C)CO;RMKNQESPAAWSNW-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147470;MM147470;CC(N)C1CC1(C)CF;CZDRHTVPCIFSMT-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147471;MM147471;C=C(NC(=O)NN)OC;DRYGDOZACLYLCZ-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147472;MM147472;CC(O)C1CC1(C)CN;LFFDLVFRFVYGGQ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147473;MM147473;CC(O)C1CC1(C)CO;HDKNVDSWLVOWHG-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147474;MM147474;CC(O)C1CC1(C)CF;CBNJZNRVKBAQAU-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147475;MM147475;CCC1(C)CC1C(C)F;QJDGAABYFQJQDS-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147476;MM147476;CC(F)C1CC1(C)CN;CPQHRHHMCTUQIQ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147477;MM147477;CC(F)C1CC1(C)CO;FKWYXAKUQYBTPB-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147478;MM147478;CC(F)C1CC1(C)CF;MRBHKEHALRNOKT-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147479;MM147479;CCC1(C)CC1C(F)F;BGZWRMONMFIISI-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147480;MM147480;CC1(CN)CC1C(F)F;OBBBTSMZYBFHAQ-UHFFFAOYSA-N;135.16;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147481;MM147481;CC1(CF)CC1C(F)F;POERHGCEFCAFBW-UHFFFAOYSA-N;138.13;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147482;MM147482;CCC1(N)CC1C(C)C;XRCCFHISHOJZPC-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147483;MM147483;CC(C)C1CC1(N)CN;BWLGXCLJAOILFS-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147484;MM147484;CC(C)C1CC1(N)CO;RWMYRHSKWRUZFB-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147485;MM147485;CC(C)C1CC1(N)CF;QQOXCOMAZKWBAX-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147486;MM147486;CCC1(N)CC1C(C)N;UTQMJMZXFDORTM-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147487;MM147487;CC(N)C1CC1(N)CN;VEETVFQRJPKDFB-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147488;MM147488;CC(N)C1CC1(N)CO;LIRIIYYWXNNQKT-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147489;MM147489;CC(N)C1CC1(N)CF;SGUHZXGCJPXUDE-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147490;MM147490;CCC1(N)CC1C(C)O;QRWKKURIVWQMQA-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147491;MM147491;CC(O)C1CC1(N)CN;MMWUENGHRDKRCW-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147492;MM147492;CC(O)C1CC1(N)CO;CQKHMYMJHMKPDV-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147493;MM147493;CC(O)C1CC1(N)CF;XUJSKVNJJJJNMV-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147494;MM147494;CCC1(N)CC1C(C)F;ZOBZJUMIHMLAFQ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147495;MM147495;CC(F)C1CC1(N)CN;IZMOBLQJBMCOCS-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147496;MM147496;CC(F)C1CC1(N)CO;JKYPKYSJTNZWNF-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147497;MM147497;CCC1(N)CC1C(F)F;OJKGNBWFDNCTJZ-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147498;MM147498;NCC1(N)CC1C(F)F;GWGGDCNITTVLKS-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147499;MM147499;NC1(CO)CC1C(F)F;FTSJPFQFGICNBY-UHFFFAOYSA-N;137.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147500;MM147500;N=C(N)C(=O)C(O)CF;SQSMQZHBJDDMOH-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147501;MM147501;CC(C)C1CC1(O)CN;LALCFXVFIMNUFO-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147502;MM147502;CC(C)C1CC1(O)CO;QMGQQHIMMOAXFN-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147503;MM147503;CCC1(O)CC1C(C)N;VSBSNRFZIYZOBV-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147504;MM147504;CC(N)C1CC1(O)CN;GYPXAIAYZIICBZ-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147505;MM147505;CC(N)C1CC1(O)CO;MMQGACVJEUELPN-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147506;MM147506;CC(N)C1CC1(O)CF;WSBBQUQAQJFULB-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147507;MM147507;CCC1(O)CC1C(C)O;CRQPTMXIVNOLCK-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147508;MM147508;CC(O)C1CC1(O)CN;XAMQHXIPSGMHET-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147509;MM147509;CC(O)C1CC1(O)CO;XUOIPYSYFVKHML-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147510;MM147510;CC(O)C1CC1(O)CF;LFDRWLNNWZCLHN-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147511;MM147511;CCC1(O)CC1C(C)F;IZORUCAHKPTBPD-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147512;MM147512;CC(F)C1CC1(O)CN;ZGHDZDIHCCVBAJ-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147513;MM147513;CC(F)C1CC1(O)CO;BPDBYIFAVJXHAN-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147514;MM147514;CC(F)C1CC1(O)CF;YQWMGDORRLMLRB-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147515;MM147515;CCC1(O)CC1C(F)F;GUACNDQDMSTTSI-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147516;MM147516;NCC1(O)CC1C(F)F;VIZSZSUOTBHNAJ-UHFFFAOYSA-N;137.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147517;MM147517;OCC1(O)CC1C(F)F;CUYHWPMVCJXSHZ-UHFFFAOYSA-N;138.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147518;MM147518;CCC1(F)CC1C(C)C;LDNXVVZOPFHNHD-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147519;MM147519;CC(C)C1CC1(F)CO;UQLYZECGWUBTEL-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147520;MM147520;CC(C)C1CC1(F)CF;GCQUEBPZYHEXGN-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147521;MM147521;CCC1(F)CC1C(C)N;BETOCPGERZISPK-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147522;MM147522;CC(N)C1CC1(F)CO;GGUVGJHBEKJZKC-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147523;MM147523;CCC1(F)CC1C(C)O;CSKKPKNQTSQQLW-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147524;MM147524;CC(O)C1CC1(F)CN;NNSKRKZSSHZFFU-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147525;MM147525;CC(O)C1CC1(F)CO;WWBBSWIMZBKIDX-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147526;MM147526;CC(O)C1CC1(F)CF;UBYUVXHPJVUTDV-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147527;MM147527;CCC1(F)CC1C(C)F;RLWTVWYLWKKCJC-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147528;MM147528;CC(F)C1CC1(F)CN;ZGUPGSNVOKHPMI-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147529;MM147529;CC(F)C1CC1(F)CO;WDSDZOVAZPDCHC-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147530;MM147530;CC(F)C1CC1(F)CF;QDPJEEVYJDBZEV-UHFFFAOYSA-N;138.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147531;MM147531;CCC1(F)CC1C(F)F;MYDBXMSWVAOGJH-UHFFFAOYSA-N;138.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147532;MM147532;NCC1(F)CC1C(F)F;JCWAVKXEVXECNH-UHFFFAOYSA-N;139.12;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147533;MM147533;OCC1(F)CC1C(F)F;PCPNZJXRWBFMRX-UHFFFAOYSA-N;140.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147534;MM147534;CNC1(C)CC1C(C)C;RAYCQCLPHHKPBC-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147535;MM147535;CNC1(C)CC1C(C)N;MXRBYKQSOZEHIU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147536;MM147536;CNC1(C)CC1C(C)F;QSYCEZACRNRKMG-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147537;MM147537;CNC1(C)CC1C(F)F;ZGENHGRAYCRWKZ-UHFFFAOYSA-N;135.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147538;MM147538;COC1(C)CC1C(C)C;XEAAPEOMMHUPTF-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147539;MM147539;COC1(C)CC1C(C)N;MCJHAKQNCLZFBI-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147540;MM147540;COC1(C)CC1C(C)O;IVHBLJXWGYMUKO-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147541;MM147541;COC1(C)CC1C(C)F;CKIXCHXCDLXCMT-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147542;MM147542;COC1(C)CC1C(F)F;FJAPCCCYXDUMKH-UHFFFAOYSA-N;136.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147543;MM147543;CCC1(C)CC1N(C)C;BLSZKRWSXFUDRQ-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147544;MM147544;CN(C)C1CC1(C)CN;NEHOJAKEJFBDRA-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147545;MM147545;CN(C)C1CC1(C)CO;HNQFFFDHSPQEFR-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147546;MM147546;CN(C)C1CC1(C)CF;YDUUNUKNOJLXCF-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147547;MM147547;CCC1(N)CC1N(C)C;NSIXMOUYITUYGA-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147548;MM147548;CN(C)C1CC1(N)CN;GINZEHDCEMSWIE-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147549;MM147549;CN(C)C1CC1(N)CO;QQCACZBUVMHWIR-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147550;MM147550;CN(C)C1CC1(N)CF;NJSMAQCXYAAXBZ-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147551;MM147551;CCC1(O)CC1N(C)C;PLVSEVPKKLJIGE-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147552;MM147552;CN(C)C1CC1(O)CN;FJWRZDJLKWFWHG-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147553;MM147553;CN(C)C1CC1(F)CN;COWVVJKFCKDOQW-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147554;MM147554;CNC1(C)CC1N(C)C;SFWRRZCUAXEZRC-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147555;MM147555;COC1(C)CC1N(C)C;LAQPQABTHDEVGX-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147556;MM147556;CC(C)C1NC1(C)CN;QXDIIFKCIJYUDQ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147557;MM147557;CCC1(C)NC1C(C)N;NOHNUFOARYOBIW-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147558;MM147558;CC(N)C1NC1(C)CN;ZBSLXRDERNAMOA-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147559;MM147559;CC(N)C1NC1(C)CO;TYPALIGVWDFYFB-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147560;MM147560;CC(N)C1NC1(C)CF;MNSQMAAUPBLHJW-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147561;MM147561;CC(O)C1NC1(C)CN;KVOWHZMHSVMVCP-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147562;MM147562;CN(NC=O)C(=N)C#N;XPXUMOXSLDINFP-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147563;MM147563;CCC1(C)NC1C(C)F;ADPQHWYAAHMKAV-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147564;MM147564;CC(F)C1NC1(C)CN;DXGQHOALDKWLFO-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147565;MM147565;C#CC(=C)C(=O)NNC;IHYQTCCCJCZTAT-UHFFFAOYSA-N;124.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147566;MM147566;CC(F)C1NC1(C)CF;GCWFDHYMENXGCT-UHFFFAOYSA-N;135.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147567;MM147567;CCC1(C)NC1C(F)F;KVOYFPZETUEKPC-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147568;MM147568;CC1=CCC(C#N)=C1N;HZQDQVHMNBUXIQ-UHFFFAOYSA-N;120.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147569;MM147569;CCC1(C)OC1C(C)C;SLLYHHJOSMPIQX-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147570;MM147570;CC(C)C1OC1(C)CN;GMWMLTRYWIIJHY-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147571;MM147571;CC(C)C1OC1(C)CO;ZQYRIKMSRNJHCT-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147572;MM147572;CC(C)C1OC1(C)CF;BQGGOWATFWTHGD-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147573;MM147573;CCC1(C)OC1C(C)N;JKKQAONTXSSMBT-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147574;MM147574;CC(N)C1OC1(C)CN;AWIJEHYKXNUPOY-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147575;MM147575;CC(N)C1OC1(C)CO;JNGHWTVIEPCNMW-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147576;MM147576;CC(N)C1OC1(C)CF;DRBLSZQWULEXJP-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147577;MM147577;CCC1(C)OC1C(C)O;QBNFSROIJIIKJL-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147578;MM147578;CC(O)C1OC1(C)CN;QHHQCVAJEZKTRS-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147579;MM147579;CC(O)C1OC1(C)CO;LYTCMDRTKBUDTA-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147580;MM147580;CCC1(C)OC1C(C)F;VCJNLMBWQAKZCC-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147581;MM147581;CC(F)C1OC1(C)CN;SREZPGISJDFCBF-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147582;MM147582;CC1(CN)OC1C(F)F;HVVMHQMFYXKRJL-UHFFFAOYSA-N;137.13;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147583;MM147583;CC1(CO)OC1C(F)F;ZQDYEKHBUVJIOF-UHFFFAOYSA-N;138.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147584;MM147584;CC(C)N1CC1(C)CN;UKNICOVOMHDRHM-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147585;MM147585;CC(C)N1CC1(C)CF;ZECOMQXWFGQVGR-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147586;MM147586;C=CC1(C)CC1C(C)C;UAUJXAMVAACTJD-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147587;MM147587;CC(C)C1CC1(C)C=O;FJNPYZOLSIIUAS-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147588;MM147588;CC(C)C1CC1(C)C#N;NHWFCSXDRRNBHT-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147589;MM147589;C=CC1(C)CC1C(C)N;QUNAMXDWZQBLIM-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147590;MM147590;C#CC(NC)C(=O)C#N;IZBYPBCYPVYGCD-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147591;MM147591;CC(O)C1CC1(C)C=O;SWDUVQQNYRFRMP-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147592;MM147592;CC(O)C1CC1(C)C#N;UWFAFOHAVNRFKR-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147593;MM147593;C=CC1(C)CC1C(C)F;JZBLHVJVJQPVRK-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147594;MM147594;CC(F)C1CC1(C)C=O;JGRYNTHXUFZVFW-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147595;MM147595;CC(F)C1CC1(C)C#N;RIHXDWVGXXUXCR-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147596;MM147596;C=CC1(C)CC1C(F)F;NNHUMKIWUQCGBE-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147597;MM147597;CC1(C#N)CC1C(F)F;VNSMCHVGCPFBSI-UHFFFAOYSA-N;131.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147598;MM147598;C=CC1(N)CC1C(C)C;HLTKJABUDVGRPS-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147599;MM147599;C=CC1(N)CC1C(C)N;YKYRSDIEDLUKAD-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147600;MM147600;C=CC1(N)CC1C(C)O;ONSLIMCHDFHPTD-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147601;MM147601;C=CC1(N)CC1C(C)F;QILIVKQFVCRRCY-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147602;MM147602;C=CC1(N)CC1C(F)F;LPOUKNRZAMMHBJ-UHFFFAOYSA-N;133.14;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147603;MM147603;C=Cc1nc(CF)c[nH]1;IEKGAGZSUYDKHE-UHFFFAOYSA-N;126.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147604;MM147604;CC(C)C1CC1(O)C=O;PXBUKBMAMILAFA-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147605;MM147605;CC(C)C1CC1(O)C#N;IEAWABVQSQSZAR-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147606;MM147606;C=CC1(O)CC1C(C)N;COTJISNTYMMYJB-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147607;MM147607;C=CC1(O)CC1C(C)O;ZAOGVQMMCOLHIY-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147608;MM147608;CC(O)C1CC1(O)C=O;CRCDBAIGWCUNBV-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147609;MM147609;CC(O)C1CC1(O)C#N;IDCAWPRXPHHIBP-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147610;MM147610;C=CC1(O)CC1C(C)F;PLIGPCGYURRSKR-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147611;MM147611;CC(F)C1CC1(O)C=O;DJYBORIMRAZQGW-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147612;MM147612;CC(F)C1CC1(O)C#N;KWJFWYWMJSBPRD-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147613;MM147613;C=CC1(O)CC1C(F)F;CXTVSOVQPRDXNT-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147614;MM147614;O=CC1(O)CC1C(F)F;CEYGYOYVJAMGTD-UHFFFAOYSA-N;136.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147615;MM147615;N#CC1(O)CC1C(F)F;NMUVIMJEVORGDJ-UHFFFAOYSA-N;133.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147616;MM147616;C=CC1(F)CC1C(C)C;QVLLABWCAUKOOS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147617;MM147617;CC(C)C1CC1(F)C=O;DUMFGWXJGKAEMB-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147618;MM147618;CC(C)C1CC1(F)C#N;KDLXPGHBHHZPNV-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147619;MM147619;C=CC1(F)CC1C(C)N;IISKHYDZHBLYSF-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147620;MM147620;C=CC1(F)CC1C(C)O;HPYFLJPEMSJGNQ-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147621;MM147621;CC(O)C1CC1(F)C=O;FZQMPZNUHQRUEU-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147622;MM147622;CC(O)C1CC1(F)C#N;WKVFWLYJILJHOG-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147623;MM147623;C=CC1(F)CC1C(C)F;KSUNZPCHPIQFAJ-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147624;MM147624;CC(F)C1CC1(F)C=O;IRRGEJYBXKDRHF-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147625;MM147625;CC(F)C1CC1(F)C#N;UVBXIJNEHCQFBI-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147626;MM147626;C=CC1(F)CC1C(F)F;APSHQIMQPVLBAW-UHFFFAOYSA-N;136.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147627;MM147627;O=CC1(F)CC1C(F)F;JMCHGTNTYHXSEL-UHFFFAOYSA-N;138.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147628;MM147628;N#CC1(F)CC1C(F)F;RHWMWLLDHODDKX-UHFFFAOYSA-N;135.09;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147629;MM147629;C=CC1(C)CC1N(C)C;WAZWMEGITUTRIZ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147630;MM147630;CN(C)C1CC1(C)C=O;ISEZPIDAFMLXFH-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147631;MM147631;C=CC1(N)CC1N(C)C;NBMDADHNZNDWGV-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147632;MM147632;C=CC1(O)CC1N(C)C;FUZJDBKLFHDYQG-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147633;MM147633;CCc1c[nH]c(N=O)c1;WCSQAQPKJVTKJW-UHFFFAOYSA-N;124.14;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147634;MM147634;CN(C)C1CC1(F)C#N;QTMNFJZLSWMFTM-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147635;MM147635;CC(C)C1NC1(C)C=O;NCHLLVCPXKPMJW-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147636;MM147636;CC(C)C1NC1(C)C#N;NMGBMVWGNDQWJG-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147637;MM147637;C=CC1(C)NC1C(C)N;IKIMEBVVAXOCGT-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147638;MM147638;CCC(=NO)NC1CC1;XFCUMCWBTIGQSO-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147639;MM147639;CCN=CNN=CC#N;GVQWCWCKBGULSU-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147640;MM147640;C#CC(O)C(C)(O)C=NN;BAHQGFKFUNMRGC-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147641;MM147641;C=CC1(C)NC1C(C)F;IUPYVDIFFIXKQO-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147642;MM147642;CC(F)C1NC1(C)C=O;UNKMKHJBVQNGMM-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147643;MM147643;CC(F)C1NC1(C)C#N;CNHBRCWJIBWVLI-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147644;MM147644;C=CC1(C)NC1C(F)F;HHVKZDKTUYLZKE-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147645;MM147645;C=CC1(C)OC1C(C)C;HYKRXNCGPKCOSH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147646;MM147646;CC(C)C1OC1(C)C=O;LVCDHCYEHWVHQX-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147647;MM147647;CC(C)C1OC1(C)C#N;PTEIVLGRRNFZEO-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147648;MM147648;C=CC1(C)OC1C(C)N;SUEIAWDTDNDXIR-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147649;MM147649;C=CC1(C)OC1C(C)O;KSLIQGQMJIHQAC-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147650;MM147650;CC(O)C1OC1(C)C=O;QHMDXOMUZLMIOD-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147651;MM147651;CC(O)C1OC1(C)C#N;RVGKVGLQASGXPI-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147652;MM147652;C=CC1(C)OC1C(C)F;GLTJUEXYXMRIFI-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147653;MM147653;CC(F)C1OC1(C)C=O;SNTJNRKGYKCCSQ-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147654;MM147654;CC(F)C1OC1(C)C#N;YGUSLDWPCOMPLE-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147655;MM147655;C=CC1(C)OC1C(F)F;OKSHXKAQJBSROK-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147656;MM147656;CC1(C=O)OC1C(F)F;RVPDALYHDUSRGY-UHFFFAOYSA-N;136.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147657;MM147657;CC1(C#N)OC1C(F)F;PDVQLKSTSOJLMA-UHFFFAOYSA-N;133.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147658;MM147658;CC(C)N1CC1(C)C=O;LWKPPPWWELTDFJ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147659;MM147659;CC(C)N1CC1(C)C#N;CSVNOIRKQLYXGQ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147660;MM147660;C#CC1(C)CC1C(C)C;DXBJEFSSVFEDBA-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147661;MM147661;C#CC1(C)CC1C(C)N;PFEBYURYCJJKDD-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147662;MM147662;CNC(C#N)C(C)(O)C=O;WHIFVWWJKPMVHJ-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147663;MM147663;C#CC1(C)CC1C(C)F;JXYWFOOTPCUKOW-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147664;MM147664;C#CC1(C)CC1C(F)F;GGTARZFSXGGLLZ-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147665;MM147665;C#CC1(N)CC1C(C)C;QQPLGWZROFAHNK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147666;MM147666;C#CC1(N)CC1C(C)N;DLJUAUKHEGBAHN-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147667;MM147667;C#CC1(N)CC1C(C)O;QYVZIZGFJXLBTG-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147668;MM147668;C#CC1(N)CC1C(C)F;VREILVCBEXPNLW-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147669;MM147669;C#CC1(N)CC1C(F)F;WXYIBFHRKAPVNF-UHFFFAOYSA-N;131.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147670;MM147670;C#CC1(O)CC1C(C)C;LLSXLMIJTVXISG-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147671;MM147671;C#CC1(O)CC1C(C)N;OLGYNVJQSDUXIU-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147672;MM147672;C#CC1(O)CC1C(C)O;WVRNIRKYPWNLTI-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147673;MM147673;C#CC1(O)CC1C(C)F;KQCWOEIZIBRCLW-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147674;MM147674;C#CC1(O)CC1C(F)F;JDVDBBKGFZVRRE-UHFFFAOYSA-N;132.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147675;MM147675;C#CC1(F)CC1C(C)C;LKNAIOCCXMAZNX-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147676;MM147676;C#CC1(F)CC1C(C)N;GPZAOCSNUWHAQX-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147677;MM147677;C#CC1(F)CC1C(C)O;ACAIUVVRERPJBF-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147678;MM147678;C#CC1(F)CC1C(C)F;RDZIZHLZLMOTRJ-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147679;MM147679;C#CC1(F)CC1C(F)F;QBGDVRCPVMPOKO-UHFFFAOYSA-N;134.1;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147680;MM147680;C#CC1(C)CC1N(C)C;GYBQJCVIOQQIRU-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147681;MM147681;C#CC1(N)CC1N(C)C;AWLGPSUKTUNWMQ-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147682;MM147682;C#CC1(C)NC1C(C)C;GGJRODPLUQXNFG-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147683;MM147683;C#CC1(C)NC1C(C)N;WJIPJXGKHVYTAI-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147684;MM147684;CC(O)CCN(C)C=NO;OCKYFVRFRXYBAC-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147685;MM147685;C#CC1(C)NC1C(C)F;TYMPZPGZSVWJEE-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147686;MM147686;C#CC1(C)NC1C(F)F;PNASHTBCJDIWTD-UHFFFAOYSA-N;131.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147687;MM147687;C#CC1(C)OC1C(C)C;FWWBNHPERPTALF-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147688;MM147688;C#CC1(C)OC1C(C)N;YZYMZCSTLFATAB-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147689;MM147689;C#CC1(C)OC1C(C)O;IEMXYTGGVOVAOZ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147690;MM147690;C#CC1(C)OC1C(F)F;CBRBVOGVXVMMLZ-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147691;MM147691;C#CC1(C)CN1C(C)C;MJHDKCVYQKFTBI-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147692;MM147692;C=C(C)C1CC1(C)CC;HIAQZHFXUYJYKL-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147693;MM147693;C=C(C)C1CC1(C)CN;RJSBSNFKFPWQIU-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147694;MM147694;C=NNC1CC(O)(C#N)C1;FGNKUAHFRIXQSM-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147695;MM147695;C=C(C)C1CC1(C)CF;DLBSPDLMORWRLH-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147696;MM147696;CCC1(C)CC1C(C)=O;ZIIRKZPENQRNDZ-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147697;MM147697;CC(=O)C1CC1(C)CO;LJVWWUULUIGYQI-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147698;MM147698;CC(=O)C1CC1(C)CF;IGYRBBSFKGMLHI-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147699;MM147699;CCC1(C)CC1C(=N)N;MCCJENGPRZESHY-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147700;MM147700;CC1(CN)CC1C(=N)N;SIGPEPCGQYQXGL-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147701;MM147701;CC1(CO)CC1C(=N)N;ODZCRWWPQMNUMI-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147702;MM147702;CC1(CF)CC1C(=N)N;MEROAUFSLFBBOS-UHFFFAOYSA-N;130.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147703;MM147703;CC(C)N=CNN=CC#N;KKVVUKBKUWKECY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147704;MM147704;CC1(CN)CC1C(N)=O;FWFFLWJCYAQAGW-UHFFFAOYSA-N;128.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147705;MM147705;CC1(CO)CC1C(N)=O;NQLYUDOAAVTHDQ-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147706;MM147706;CCC1(C)CC1C(=O)O;NFZQLMTWIZTMJI-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147707;MM147707;O=c1on(C=CF)nc1O;ZPVDDPNZFBTWGN-UHFFFAOYSA-N;146.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147708;MM147708;C=C(F)C1CC1(C)CC;KVAVWWIGMIVTRV-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147709;MM147709;C=C(F)C1CC1(C)CN;HOONYPKXCXPXQM-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147710;MM147710;C=C(F)C1CC1(C)CO;SVPOSSZQCUYJRK-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147711;MM147711;C=C(F)C1CC1(C)CF;RDMMLJXGVVLZFD-UHFFFAOYSA-N;132.15;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147712;MM147712;C=C(C)C1CC1(N)CC;RPGGJQVXDDBZDO-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147713;MM147713;C=C(C)C1CC1(N)CN;NGINRYOXLKUJIY-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147714;MM147714;C=C(C)C1CC1(N)CO;URAFFRBKQITFNE-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147715;MM147715;C=C(C)C1CC1(N)CF;DUSRMSQTXBKSRC-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147716;MM147716;CCC1(N)CC1C(=N)N;SKAFHVXMZRYCBM-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147717;MM147717;N=C(N)C1CC1(N)CN;IBLNBTCNURMUQP-UHFFFAOYSA-N;128.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147718;MM147718;N=C(N)C1CC1(N)CO;QTQXNQGZWKGVKS-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147719;MM147719;N=C(N)C1CC1(N)CF;BWOWWZNEMSXZBD-UHFFFAOYSA-N;131.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147720;MM147720;CCC1(N)CC1C(N)=O;LBBKYMVYGQVPCA-UHFFFAOYSA-N;128.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147721;MM147721;NCC1(N)CC1C(N)=O;XEPSEBJMQZGKCU-UHFFFAOYSA-N;129.16;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147722;MM147722;NC(=O)C1CC1(N)CO;RVKGGRJNRYHHGY-UHFFFAOYSA-N;130.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147723;MM147723;C=C(F)C1CC1(N)CC;PDDJLNCCWAXHKF-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147724;MM147724;C=C(F)C1CC1(N)CN;SGRYWNZKMZPRDZ-UHFFFAOYSA-N;130.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147725;MM147725;C=C(F)C1CC1(N)CO;WJHCWSQTZWGHQN-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147726;MM147726;C=C(F)C1CC1(N)CF;OXQHZEPDKQFHRG-UHFFFAOYSA-N;133.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147727;MM147727;COCCCN(C)C=NO;YANYKCXCAMRPSO-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147728;MM147728;C=C(C)C1CC1(O)CN;IWSUGWWQIAHAKF-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147729;MM147729;C=C(C)C1CC1(O)CO;QDKABOVLSPBNEV-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147730;MM147730;C=C(C)C1CC1(O)CF;SXDOLQIINIPEDC-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147731;MM147731;CCC1(O)CC1C(C)=O;GUDMRXVDYNEJGC-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147732;MM147732;CCC1(O)CC1C(=N)N;VNGBYONCMOLPBK-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147733;MM147733;N=C(N)C1CC1(O)CN;YVAYVDVCVBHFDA-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147734;MM147734;N=C(N)C1CC1(O)CO;YKHCHVUFXWGTKU-UHFFFAOYSA-N;130.15;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147735;MM147735;CCC1(O)CC1C(N)=O;SEEBPVMGGYJDJZ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147736;MM147736;NCC1(O)CC1C(N)=O;QVXXZQJYRFPQPQ-UHFFFAOYSA-N;130.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147737;MM147737;NC(=O)C1CC1(O)CO;QUNPZLTZJVXXFY-UHFFFAOYSA-N;131.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147738;MM147738;Cn1cnc(=O)c(=O)n1O;GYJHMICFSYOHPV-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147739;MM147739;Nc1cc(F)n(O)c(=O)c1;QHJMAMPZOSJMSI-UHFFFAOYSA-N;144.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147740;MM147740;C=C(F)C1CC1(O)CC;ZESRLJLFOJHLMD-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147741;MM147741;C=C(F)C1CC1(O)CN;BSRDJWFJNDDDEF-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147742;MM147742;C=C(F)C1CC1(O)CO;CEPDESSRAUVUMC-UHFFFAOYSA-N;132.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147743;MM147743;C=C(F)C1CC1(O)CF;YUZPTVPJTPFGRP-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147744;MM147744;C=C(C)C1CC1(F)CC;MCFHAKYCYRLAHG-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147745;MM147745;C=C(C)C1CC1(F)CN;AYLVWTNOQKJBQT-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147746;MM147746;C=C(C)C1CC1(F)CO;SVMABWZWCZVDAP-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147747;MM147747;C=C(C)C1CC1(F)CF;KPPLRQYWEHKBTO-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147748;MM147748;CCC1(F)CC1C(C)=O;XUFKCKSKMOZMMB-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147749;MM147749;CCC1(F)CC1C(=N)N;XBRLCCTZIYZGGQ-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147750;MM147750;N=C(N)C1CC1(F)CN;JFQRVCVJZOJBEV-UHFFFAOYSA-N;131.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147751;MM147751;N=C(N)C1CC1(F)CO;SFHLYCIJKZFWGL-UHFFFAOYSA-N;132.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147752;MM147752;N=C(N)C1CC1(F)CF;AMXMUZHSJBVVJU-UHFFFAOYSA-N;134.13;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147753;MM147753;CCC1(F)CC1C(N)=O;OLGHNQFRZIXXIX-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147754;MM147754;NCC1(F)CC1C(N)=O;IJHQMJQNCKGFFM-UHFFFAOYSA-N;132.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147755;MM147755;CCC1(F)CC1C(=O)O;AHJYWWYIJZCEQJ-UHFFFAOYSA-N;132.13;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147756;MM147756;COc1ccn(O)c(=O)n1;FDMZTNIPCKMCPN-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147757;MM147757;C=C(F)C1CC1(F)CC;VWOYDVRFPAUTLK-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147758;MM147758;C=C(F)C1CC1(F)CN;AHSVBIRIOCUFHS-UHFFFAOYSA-N;133.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147759;MM147759;C=C(F)C1CC1(F)CO;ZGWXJEXDDVLPIS-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147760;MM147760;C=C(C)C1CC1(C)NC;BJEYEROEJAKODM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147761;MM147761;CNC1(C)CC1C(C)=O;ZJTBGXHOGQAQRB-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147762;MM147762;CNC1(C)CC1C(=N)N;NSVBKQKLKIFTQS-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147763;MM147763;CNC1(C)CC1C(N)=O;AMOKOXUDPZYURJ-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147764;MM147764;C=C(F)C1CC1(C)NC;SICNMULWQQSHMH-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147765;MM147765;C=C(C)C1CC1(C)OC;PFHQKCBEEFVLMO-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147766;MM147766;COC1(C)CC1C(C)=O;AETOCCXMGSSKOW-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147767;MM147767;COC1(C)CC1C(=N)N;BSISIFGYYSKLOD-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147768;MM147768;COC1(C)CC1C(N)=O;IVZWHTRYHUJPBO-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147769;MM147769;O=Cc1con(O)c1=O;GCUXKEXCNUHPEX-UHFFFAOYSA-N;129.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147770;MM147770;C=C(F)C1CC1(C)OC;UHAHOGOLOKOSKB-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147771;MM147771;C=C(C)C1NC1(C)CN;XQAULEPLQWOGIX-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147772;MM147772;C=NOC1CN(NC=O)C1;VMSBNWQBIAWPRX-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147773;MM147773;C=C(C)C1NC1(C)CF;MBJHKEJEKZYNSO-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147774;MM147774;C#CC1(O)CC1C(=O)NN;UUDZZLQNIBMHJH-UHFFFAOYSA-N;140.14;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147775;MM147775;CON(C=O)CC(=O)NN;ZGBUBBYYWFUOAR-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147776;MM147776;CCC1(C)NC1C(=N)N;WNPREDXBBHOSID-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147777;MM147777;CC1(CN)NC1C(=N)N;KBMPMYIXNCVJIS-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147778;MM147778;CC1(CO)NC1C(=N)N;YGIJZZXYBSGZCE-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147779;MM147779;C#CC(CC(=O)NN)=NN;NCNGTHUSXVRTFN-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147780;MM147780;CC1(CN)NC1C(N)=O;WVELPFNWFISDBB-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147781;MM147781;C=CC(=O)N=C(NO)NO;KZLBGBUMEIFYBN-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147782;MM147782;Cc1n[nH]c(=O)n1O;DUOBGXMWYVWTGD-UHFFFAOYSA-N;115.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147783;MM147783;C=C(F)C1NC1(C)CC;ZGRGXEZNGHLBPN-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147784;MM147784;C=C(F)C1NC1(C)CN;ZUFFUXXONZYQEY-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147785;MM147785;C#CC(CO)NNC(C)=O;RGPUVNHLWAWSBR-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147786;MM147786;C=C(C)C1OC1(C)CC;MNWVCUOQIQIOGA-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147787;MM147787;C=C(C)C1OC1(C)CN;FRPBEPGHTZRORW-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147788;MM147788;C=C(C)C1OC1(C)CO;DNPPCWBIGQWSTK-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147789;MM147789;C=C(C)C1OC1(C)CF;VUEWUHDRDYYSKR-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147790;MM147790;CCC1(C)OC1C(C)=O;MTHYWFUZLWDKPN-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147791;MM147791;CCC1(C)OC1C(=N)N;BXKNRPFDBMNVOA-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147792;MM147792;CC1(CN)OC1C(=N)N;GZTLAOWVHBRCKM-UHFFFAOYSA-N;129.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147793;MM147793;CC1(CF)OC1C(=N)N;FVPRHEZXBUOWEL-UHFFFAOYSA-N;132.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147794;MM147794;CCC1(C)OC1C(N)=O;DRQGMAWHZFGJSH-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147795;MM147795;CC1(CN)OC1C(N)=O;SWYPOIUXSQHKLO-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147796;MM147796;CC1(CO)OC1C(N)=O;DRWSLRGLFXXSQX-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147797;MM147797;CC1(CF)OC1C(N)=O;JLEFPECQDYGCOW-UHFFFAOYSA-N;133.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147798;MM147798;COc1cnn(O)c(=O)c1;OKURXCMGGRXIPN-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147799;MM147799;N=c1ccn(O)c(=O)n1O;VBYOBOWFHPJKCR-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147800;MM147800;CC(=O)CC(=O)C(=O)CO;ZJCUGUHAGYNNBY-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147801;MM147801;C=C(F)C1OC1(C)CC;YHNDZFXJXUOQEH-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147802;MM147802;C=C(F)C1OC1(C)CO;JXWVZQLQGMOPKR-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147803;MM147803;C=C(F)C1OC1(C)CF;VBUKCXOSVLAUSM-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147804;MM147804;CCC1(C)CN1C(C)=N;OPMCNHNNSZKLAP-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147805;MM147805;CC(=N)N1CC1(C)CN;HHPYGNGMXMCEES-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147806;MM147806;CC(=N)N1CC1(C)CO;JWRRAZDYVROZNU-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147807;MM147807;CCC1(C)CN1C(C)=O;CUXAZEXWSPQVLL-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147808;MM147808;CC(=O)N1CC1(C)CN;QPKJPZXYVSBAIG-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147809;MM147809;CC(=O)N1CC1(C)CO;MJVIVVNJOPAUDT-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147810;MM147810;CCC1(C)CN1C(=N)N;ZXTHYVOROSNXGM-UHFFFAOYSA-N;127.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147811;MM147811;CC1(CN)CN1C(=N)N;QJOFZJBTHAKOPC-UHFFFAOYSA-N;128.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147812;MM147812;CC1(CO)CN1C(=N)N;RYJZMHDCRQHGAL-UHFFFAOYSA-N;129.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147813;MM147813;CC1(CF)CN1C(=N)N;ITJQWNRROUPPAA-UHFFFAOYSA-N;131.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147814;MM147814;CCC1(C)CN1C(N)=O;HZPQDBMVUYBKRU-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147815;MM147815;CC1(CN)CN1C(N)=O;DFFLBLRRHAYHAZ-UHFFFAOYSA-N;129.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147816;MM147816;CC1(CO)CN1C(N)=O;RNWZWGDUAYJDOE-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147817;MM147817;CC1(CF)CN1C(N)=O;YGKAODIUXQVKPR-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147818;MM147818;C=CC1(C)CC1C(=C)C;HWPPOPDHUFEDQC-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147819;MM147819;C=C(C)C1CC1(C)C=O;WKCKIMKAKHXAEK-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147820;MM147820;C=C(C)C1CC1(C)C#N;UVBGSJMUSFKSLL-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147821;MM147821;C=CC1(C)CC1C(C)=O;ZGBHCGLCYTYACX-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147822;MM147822;CC(=O)C1CC1(C)C=O;UDHBSCGPCXZYQQ-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147823;MM147823;CC(=O)C1CC1(C)C#N;CHMMKBILWNRLPQ-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147824;MM147824;C=CC1(C)CC1C(=N)N;ZWHFCOOISKCMHM-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147825;MM147825;CC1(C=O)CC1C(=N)N;GEKNDMHCYQYVAW-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147826;MM147826;CC1(C#N)CC1C(=N)N;LFWFOUFVKYIGLS-UHFFFAOYSA-N;123.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147827;MM147827;COC1(OC(=O)NN)CC1;DTDITFBMLFTGNO-UHFFFAOYSA-N;146.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147828;MM147828;CC1(C=O)CC1C(N)=O;GATGILMLARVOAR-UHFFFAOYSA-N;127.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147829;MM147829;CC1(C#N)CC1C(N)=O;DFDGRBZBWSPFSD-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147830;MM147830;C=CC1(C)CC1C(=O)O;HRIOHSMTIJIMJN-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147831;MM147831;COc1c[nH]n(C)c1=O;BOWHUFHBHLZUPK-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147832;MM147832;CC1(C#N)CC1C(=O)O;VSTYJRPPMMGJLN-UHFFFAOYSA-N;125.13;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147833;MM147833;C=CC1(C)CC1C(=C)F;JWTVFHKQUUEULJ-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147834;MM147834;C=C(F)C1CC1(C)C=O;XTZAYFIHSMDGMX-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147835;MM147835;C=C(F)C1CC1(C)C#N;OPAUJOBNZSBILJ-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147836;MM147836;C=CC1(N)CC1C(=C)C;XNBFBXQZCMCOIH-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147837;MM147837;C=CC1(N)CC1C(=N)N;JXOOFHZUUIKCCF-UHFFFAOYSA-N;125.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147838;MM147838;C=CC1(N)CC1C(N)=O;NXOXWZPQIDDJGJ-UHFFFAOYSA-N;126.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147839;MM147839;C=CC1(N)CC1C(=C)F;KWNVJTIJKVAHLA-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147840;MM147840;CC(CO)C(O)C(=O)NN;YLSNYEURFDYTPI-UHFFFAOYSA-N;148.16;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147841;MM147841;C=C(C)C1CC1(O)C=O;DVXXHTJXWGKHGI-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147842;MM147842;C=C(C)C1CC1(O)C#N;VIKDNCDANSTZJX-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147843;MM147843;C=CC1(O)CC1C(C)=O;NSFPHTLPWKPOHF-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147844;MM147844;CC(=O)C1CC1(O)C=O;MGRNTUQBKUDMOF-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147845;MM147845;CC(=O)C1CC1(O)C#N;HQAUPNXAOIALAD-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147846;MM147846;C=CC1(O)CC1C(=N)N;SPDKFRPZDLGOJQ-UHFFFAOYSA-N;126.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147847;MM147847;N=C(N)C1CC1(O)C=O;VXEHABBKHRYHEQ-UHFFFAOYSA-N;128.13;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147848;MM147848;N#CC1(O)CC1C(=N)N;MIHCALXSQOERCB-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147849;MM147849;C=CC1(O)CC1C(N)=O;PZDKVVXVCISCIJ-UHFFFAOYSA-N;127.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147850;MM147850;NC(=O)C1CC1(O)C=O;BTGIFGTXBJZQDU-UHFFFAOYSA-N;129.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147851;MM147851;N#CC1(O)CC1C(N)=O;DXXUPTOYBSBIAY-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147852;MM147852;Cc1c(O)oc(C#N)c1O;ZKJLFFXJBYKJRP-UHFFFAOYSA-N;139.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147853;MM147853;C=Cc1coc(F)c1O;DBHGKUVDBZEYPV-UHFFFAOYSA-N;128.1;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147854;MM147854;C#Cc1occ(C#N)c1O;SWCHPSBCFBFTAX-UHFFFAOYSA-N;133.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147855;MM147855;C=CC1(O)CC1C(=C)F;FXHYTBGSQYMFRI-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147856;MM147856;C=C(F)C1CC1(O)C=O;DYUAPZUPXIHQQQ-UHFFFAOYSA-N;130.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147857;MM147857;C=C(F)C1CC1(O)C#N;NUEWDKFORIHUOT-UHFFFAOYSA-N;127.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147858;MM147858;C=CC1(F)CC1C(=C)C;RMKSJTKGKOATCH-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147859;MM147859;C=C(C)C1CC1(F)C=O;LDUFXWMPMFYRFA-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147860;MM147860;C=C(C)C1CC1(F)C#N;RFRSZTKKVRNTGB-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147861;MM147861;C=CC1(F)CC1C(C)=O;SBOYCKXBIXLLMA-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147862;MM147862;CC(=O)C1CC1(F)C=O;GMGKMJWGIIWUOD-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147863;MM147863;CC(=O)C1CC1(F)C#N;BYWSMLTYUCQHRN-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147864;MM147864;C=CC1(F)CC1C(=N)N;RVGQEEKFCVZASP-UHFFFAOYSA-N;128.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147865;MM147865;N=C(N)C1CC1(F)C=O;AITWEQUTZFRTQY-UHFFFAOYSA-N;130.12;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147866;MM147866;N#CC1(F)CC1C(=N)N;AIUMKXIHVPRXPF-UHFFFAOYSA-N;127.12;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147867;MM147867;C=CC1(F)CC1C(N)=O;WZAIAZNURAVZPO-UHFFFAOYSA-N;129.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147868;MM147868;N#CC1(F)CC1C(N)=O;ARAKAMGIJAPHKY-UHFFFAOYSA-N;128.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147869;MM147869;C=CC1(F)CC1C(=O)O;ZVUJXGZUTJWWAJ-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147870;MM147870;O=CC(=O)CC(=O)CCO;UTQQAXZMNMDHBI-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147871;MM147871;N#CC1(F)CC1C(=O)O;DHEQDELNHDHUII-UHFFFAOYSA-N;129.09;0.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147872;MM147872;C=CC1(F)CC1C(=C)F;FQAFHWBIAFXCER-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147873;MM147873;C=C(F)C1CC1(F)C=O;XKURBHNZPIRECZ-UHFFFAOYSA-N;132.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147874;MM147874;C=C(F)C1CC1(F)C#N;HWZOHRJNIJMQSB-UHFFFAOYSA-N;129.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147875;MM147875;C=CC1(C)NC1C(=C)C;STXRLEJCVWEGGU-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147876;MM147876;C=C(C)C1NC1(C)C=O;GHSWBLVHOCGYPC-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147877;MM147877;C=C(C)C1NC1(C)C#N;LXALNVPQGXCUTO-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147878;MM147878;COC(=N)N(C)C(=O)NN;NHYIRQCBRQYGCF-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147879;MM147879;C#CC(O)C(=N)NOC=O;LASSYNPDYQAQOV-UHFFFAOYSA-N;142.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147880;MM147880;CNN=CNNC(=O)NN;JDDXJTASXHUIOV-UHFFFAOYSA-N;146.15;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147881;MM147881;C=CC1(C)NC1C(=N)N;RSNDKESWJSRNKX-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147882;MM147882;CC1(C=O)NC1C(=N)N;ARTWATOQDYSPIY-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147883;MM147883;CC1(C#N)NC1C(=N)N;PZIQSXBVIYAIJW-UHFFFAOYSA-N;124.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147884;MM147884;CCNNC(=NO)N(C)O;LRYKNIJYFRCERD-UHFFFAOYSA-N;148.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147885;MM147885;Cc1c(F)c(O)n(N)c1N;WCNKRWHIWDADFD-UHFFFAOYSA-N;145.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147886;MM147886;CCc1nc(CC#N)c[nH]1;XKMDOIHOSWIWKG-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147887;MM147887;NC(=O)C(=NO)C(O)C=O;AXNHZGZFYKNPSW-UHFFFAOYSA-N;146.1;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147888;MM147888;CC#Cc1nn[nH]n1;NLAXVFOKSOEXNE-UHFFFAOYSA-N;108.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147889;MM147889;CCC(O)CC(C#N)=NO;BOKYEURVYVBORP-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147890;MM147890;C=CC1(C)NC1C(=C)F;KEBIMVCUYWOQLI-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147891;MM147891;C=C(F)C1NC1(C)C=O;LIZDMSXRLIIHFF-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147892;MM147892;C=C(F)C1NC1(C)C#N;PFJGCCHLGNBUDT-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147893;MM147893;C=CC1(C)OC1C(=C)C;GVOGBFWVCBKULP-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147894;MM147894;C=C(C)C1OC1(C)C=O;QEHPJLFCDZYWIV-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147895;MM147895;C=C(C)C1OC1(C)C#N;DBGQYIIWMZMMMM-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147896;MM147896;C=CC1(C)OC1C(C)=O;NEVZEJJJIAOPIL-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147897;MM147897;CC(=O)C1OC1(C)C=O;MWBGBWUOLRJCDU-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147898;MM147898;CC(=O)C1OC1(C)C#N;GXPAVAPDUCGPHY-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147899;MM147899;C=CC1(C)OC1C(=N)N;PVWCBUNVRADEHN-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147900;MM147900;CC1(C=O)OC1C(=N)N;BNVYXRYZLJVBET-UHFFFAOYSA-N;128.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147901;MM147901;CC1(C#N)OC1C(=N)N;ZQYHVPJHDGUGRO-UHFFFAOYSA-N;125.13;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147902;MM147902;C=CC1(C)OC1C(N)=O;WEZDESMDXUNWHA-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147903;MM147903;CC1(C#N)OC1C(N)=O;QSTGJWQTSSGPPP-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147904;MM147904;CCc1oc(=NN)oc1O;PSDMJKPFWGJGJA-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147905;MM147905;Cn1oc(=NO)c(=O)n1O;MFOZYKPUNVPKBK-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147906;MM147906;C=CC1(C)OC1C(=C)F;CUEQHSSINUCOKN-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147907;MM147907;C=C(F)C1OC1(C)C=O;MFVXZNKVRPUDGU-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147908;MM147908;C=C(F)C1OC1(C)C#N;XRBKKKCSOCJCLZ-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147909;MM147909;C=CC1(C)CN1C(C)=N;ZGDKTLBKGGWBRH-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147910;MM147910;CC(=N)N1CC1(C)C=O;ZHHSIXIBSUWUBM-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147911;MM147911;CC(=N)N1CC1(C)C#N;WJVDPTACEQVOJQ-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147912;MM147912;C=CC1(C)CN1C(C)=O;HUNTVHPDFSLGEU-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147913;MM147913;CC(=O)N1CC1(C)C=O;QXPYMHOXQRLRLA-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147914;MM147914;CC(=O)N1CC1(C)C#N;ZKWRCMXQDURMDQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147915;MM147915;C=CC1(C)CN1C(=N)N;CFAZMMGEIQPUMC-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147916;MM147916;CC1(C=O)CN1C(=N)N;JRQIWAIENGFREX-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147917;MM147917;CC1(C#N)CN1C(=N)N;PFFICADCVHPYEC-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147918;MM147918;C=CC1(C)CN1C(N)=O;BTYUYCYQFXCKHL-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147919;MM147919;CC1(C=O)CN1C(N)=O;NPFVAAZXFOIOGB-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147920;MM147920;CC1(C#N)CN1C(N)=O;DUERCGHDIIBKBH-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147921;MM147921;C#CC1(C)CC1C(=C)C;PUYXRWIYLITXST-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147922;MM147922;C#CC1(C)CC1C(C)=O;QTWIPOUVLAWTSS-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147923;MM147923;C#CC1(C)CC1C(=N)N;IEMJRNPZNXHNJQ-UHFFFAOYSA-N;122.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147924;MM147924;C#CC1(C)CC1C(N)=O;QJHYYTNXYMQLHT-UHFFFAOYSA-N;123.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147925;MM147925;C#CC1(C)CC1C(=O)O;PHARDBGZRSOTDQ-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147926;MM147926;C#CC1(C)CC1C(=C)F;FRSYHZYXEYTNHI-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147927;MM147927;C#CC1(N)CC1C(=C)C;ILHPCJZIAAMIAI-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147928;MM147928;C#CC1(N)CC1C(=N)N;QNYAPXWBGMKITH-UHFFFAOYSA-N;123.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147929;MM147929;C#CC1(N)CC1C(=C)F;XVMHARRKNRCMHW-UHFFFAOYSA-N;125.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147930;MM147930;C#CC1(O)CC1C(=C)C;FOJBUOASNHBDGH-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147931;MM147931;C#CC1(O)CC1C(C)=O;YZHWEOVMKROIGJ-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147932;MM147932;C#CC1(O)CC1C(=N)N;PBZFYYQHPIEZSH-UHFFFAOYSA-N;124.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147933;MM147933;C#CC1(O)CC1C(N)=O;DQVJZHPKIYSQDK-UHFFFAOYSA-N;125.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147934;MM147934;Cc1cnc(O)c(=O)n1C;BABCENDZRXXNHZ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147935;MM147935;C#CC1(O)CC1C(=C)F;SFSSHVCVVJFOBA-UHFFFAOYSA-N;126.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147936;MM147936;C#CC1(F)CC1C(=C)C;FAMDFEJQLUJESA-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147937;MM147937;C#CC1(F)CC1C(C)=O;HVAWLFGLAAIHMJ-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147938;MM147938;C#CC1(F)CC1C(=N)N;JXMILBZDYRPBPN-UHFFFAOYSA-N;126.13;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147939;MM147939;C#CC1(F)CC1C(N)=O;HVGYDQLHGRRYHZ-UHFFFAOYSA-N;127.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147940;MM147940;C#CC1(F)CC1C(=O)O;AFQFJQSIMLVDOR-UHFFFAOYSA-N;128.1;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147941;MM147941;C#CC1(F)CC1C(=C)F;WLJMZVCWVPDMKF-UHFFFAOYSA-N;128.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147942;MM147942;C#CC1(C)NC1C(=C)C;SWJCUEDWHBYPQU-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147943;MM147943;C=COc1c[nH]c(C=C)n1;QNFKZAYJMKZMOS-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147944;MM147944;C#CC1(C)NC1C(=N)N;FVRHFZUJLMOYGQ-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147945;MM147945;C=CC(=NO)N1CC1C=O;ZGADWQQHTUIANT-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147946;MM147946;Cc1nc(N)cc(=O)n1O;PZNLVVFJBQFVAK-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147947;MM147947;C#CC1(C)NC1C(=C)F;CXOAIYFMKUWBIX-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147948;MM147948;C#CC1(C)OC1C(=C)C;BPWQUQISQLOXRS-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147949;MM147949;C#CC1(C)OC1C(C)=O;QVYNEOLLOIPDPR-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147950;MM147950;C#CC1(C)OC1C(=N)N;BTWDEYWCRYEEAQ-UHFFFAOYSA-N;124.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147951;MM147951;C#CC1(C)OC1C(N)=O;UAPMZXDGNQKWBU-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147952;MM147952;N#CCC#CC(CF)=NO;QEZXTSCTRGFDQG-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147953;MM147953;C#CC1(C)OC1C(=C)F;FQCSYEBOFJTABJ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147954;MM147954;C#CC1(C)CN1C(C)=N;NLUVYPLHWXOTPT-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147955;MM147955;C#CC1(C)CN1C(C)=O;ZKRUHFNPJAGYIV-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147956;MM147956;C#CC1(C)CN1C(=N)N;OUBBKKDXEQAPHH-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147957;MM147957;C#CC1(C)CN1C(N)=O;ISDABZIIKHWCDA-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147958;MM147958;CCC1(C)CCC(C)C1;OAWOMHRJVJMDLZ-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147959;MM147959;CC1CCC(C)(CN)C1;YZCFBICYFBSXMM-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147960;MM147960;C=CCN=CNN=CC#N;FINOQALYJWSFKX-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147961;MM147961;CC1CCC(C)(CF)C1;GWLOCXWSGAVGLW-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147962;MM147962;CCC1(C)CCC(N)C1;PIRGFYHHOGZCDA-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147963;MM147963;CC1(CN)CCC(N)C1;VTFSNHMQZAJWNT-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147964;MM147964;CC1(CO)CCC(N)C1;UOJJLLIKKQFTED-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147965;MM147965;CC1(CF)CCC(N)C1;NJSPPEWGNYRLDJ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147966;MM147966;C#CCNNC(N)=O;DDIUPJLUHOLHST-UHFFFAOYSA-N;113.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147967;MM147967;CC1(CN)CCC(O)C1;UAMQHEKOGCVTTO-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147968;MM147968;CC1(CO)CCC(O)C1;TZYMZJRIZJYHPE-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147969;MM147969;CC1(CF)CCC(O)C1;MISKVDLBOZLVCD-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147970;MM147970;CCC1(C)CCC(F)C1;VQPJKCPMRRBJDX-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147971;MM147971;CC1(CN)CCC(F)C1;QBIRSIHHUXJWBH-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147972;MM147972;CC1(CO)CCC(F)C1;FHMJVOVDISQEKL-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147973;MM147973;CCC1(N)CCC(C)C1;FQMZHTBLTDHNCT-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147974;MM147974;CC1CCC(N)(CN)C1;QQWWXMWPUZVFTJ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147975;MM147975;CC1CCC(N)(CO)C1;BQLOTSKFDCQLRE-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147976;MM147976;CC1CCC(N)(CF)C1;LRSBJSUNNJRKMQ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147977;MM147977;CCC1(N)CCC(N)C1;PPDHGPKVEPPVHL-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147978;MM147978;NCC1(N)CCC(N)C1;LNYUABUFMHKUKJ-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147979;MM147979;NC1CCC(N)(CO)C1;BSHSAWSDOMKAIK-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147980;MM147980;NC1CCC(N)(CF)C1;YPVLDGBMQLPLFR-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147981;MM147981;CCC1(N)CCC(O)C1;YHGFTLWZNFWNKZ-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147982;MM147982;NCC1(N)CCC(O)C1;CTOOLBFYXZHKBY-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147983;MM147983;NC1(CO)CCC(O)C1;IZJFOMMGDWJJHZ-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147984;MM147984;CCC1(N)CCC(F)C1;PHYRUZKVMBZDOM-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147985;MM147985;NCC1(N)CCC(F)C1;WEGGLPKWMCUHSR-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147986;MM147986;NC1(CO)CCC(F)C1;UXUBKDRWJIKBGD-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147987;MM147987;NC1(CF)CCC(F)C1;VIVHOQGFIYVXDE-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147988;MM147988;COCOC(=O)NN;PIFLTLBACNWAFR-UHFFFAOYSA-N;120.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147989;MM147989;CC1CCC(O)(CN)C1;UKZFWAGSNKKEGP-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147990;MM147990;CC1CCC(O)(CO)C1;KWAKGGJEVZBWNZ-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147991;MM147991;CC1CCC(O)(CF)C1;FHNXMWDHAYNSSI-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147992;MM147992;CCC1(O)CCC(N)C1;IKMPOHYHMVBOMI-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147993;MM147993;NCC1(O)CCC(N)C1;AFFHDGMTGJZOLP-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147994;MM147994;NC1CCC(O)(CO)C1;FMGAHCUZZFQSGW-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147995;MM147995;NC1CCC(O)(CF)C1;JKCCGOYLVNEREV-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147996;MM147996;CCC1(O)CCC(O)C1;MOCNVZLQXRPNCL-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147997;MM147997;NCC1(O)CCC(O)C1;XYIXURXLZZCTFK-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147998;MM147998;OCC1(O)CCC(O)C1;JNVGSSVYILVEIV-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM147999;MM147999;OC1CCC(O)(CF)C1;DPIYVRCAGWILJJ-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148000;MM148000;CCC1(O)CCC(F)C1;KWKREQHUJMPCFB-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148001;MM148001;NCC1(O)CCC(F)C1;KAZLITLVZDLBRW-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148002;MM148002;OCC1(O)CCC(F)C1;MAIGEYOBIAGZAN-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148003;MM148003;OC1(CF)CCC(F)C1;JLMDXAIGKRHUIQ-UHFFFAOYSA-N;136.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148004;MM148004;CCC1(F)CCC(C)C1;NPTBVEGRKYIDCA-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148005;MM148005;CC1CCC(F)(CN)C1;QVDBFALWHUXFQK-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148006;MM148006;CC1CCC(F)(CO)C1;ZPVIYQFKUFWMOD-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148007;MM148007;CC1CCC(F)(CF)C1;SIQNYGKGLFXEAU-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148008;MM148008;CCC1(F)CCC(N)C1;TUGIFNFDIAAKOM-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148009;MM148009;NCC1(F)CCC(N)C1;FLUVKWXUKOSRFI-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148010;MM148010;NC1CCC(F)(CO)C1;QXMHWQQPZICADJ-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148011;MM148011;CCC1(F)CCC(O)C1;QAIZXSDPBSKJNB-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148012;MM148012;NCC1(F)CCC(O)C1;CBWNQADFUMMNKA-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148013;MM148013;OCC1(F)CCC(O)C1;OGMRNHQIOAZNKX-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148014;MM148014;CCC1(F)CCC(F)C1;BDXAAYFMBUYVGI-UHFFFAOYSA-N;134.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148015;MM148015;NCC1(F)CCC(F)C1;VAXDHIPJHCKYQZ-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148016;MM148016;CNC1(C)CCC(C)C1;BNJCYYMVCNKGFU-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148017;MM148017;CNC1(C)CCC(N)C1;ARSHOWUYCUJYEH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148018;MM148018;CNC1(C)CCC(O)C1;AIFNGBCWNOBGFH-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148019;MM148019;CNC1(C)CCC(F)C1;VHDMNEUODMDCTE-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148020;MM148020;COC1(C)CCC(C)C1;PUQYSHFIJKTEMT-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148021;MM148021;COC1(C)CCC(N)C1;HJFMPNMIDYVCAQ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148022;MM148022;COC1(C)CCC(O)C1;SGOBYJZULAVKML-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148023;MM148023;COC1(C)CCC(F)C1;FYMZWFMHZFDETA-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148024;MM148024;CCC1(C)CNC(C)C1;JACZSIUTSYKCPU-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148025;MM148025;CC1CC(C)(CN)CN1;UOEHNFCGIWWBHY-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148026;MM148026;CC1CC(C)(CO)CN1;PGNRVIKNRAFIFP-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148027;MM148027;CC1CC(C)(CF)CN1;NRDFAHKXPJKKJC-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148028;MM148028;CCC1(N)CNC(C)C1;VPWPAHVGKUNEGE-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148029;MM148029;CC1CC(N)(CN)CN1;ROJMNNLISJKKIA-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148030;MM148030;CC1CC(N)(CO)CN1;LXUHGAFJSAHJRB-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148031;MM148031;CCC1(O)CNC(C)C1;QHDOIFARWNOQHY-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148032;MM148032;CC1CC(O)(CN)CN1;IWYGWOZNRHZFPJ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148033;MM148033;CCC1(F)CNC(C)C1;OUODDUAPUVYYSU-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148034;MM148034;CC1CC(F)(CO)CN1;CIUAYPOSAJXYGN-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148035;MM148035;CNC1(C)CNC(C)C1;OEIUBQOMHTXZBE-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148036;MM148036;COC1(C)CNC(C)C1;DGRYDQVYUFLLHS-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148037;MM148037;CCC1(C)COC(C)C1;MEDWYZQTLYFWKL-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148038;MM148038;CC1CC(C)(CN)CO1;IUKCVXVBKZPGPS-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148039;MM148039;CC1CC(C)(CO)CO1;JQZHZNJCWQXYBC-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148040;MM148040;CC1CC(C)(CF)CO1;IPULQHAQGKSQLC-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148041;MM148041;CCC1(N)COC(C)C1;JGPSEEIGEYASBA-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148042;MM148042;CC1CC(N)(CN)CO1;GJZWXVUTCSNVJL-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148043;MM148043;CC1CC(N)(CO)CO1;BRSAUKRSRDKXNO-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148044;MM148044;CC1CC(N)(CF)CO1;MUSGPWFSSSUVEV-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148045;MM148045;CCC1(O)COC(C)C1;GXUYGEPCSZQQKA-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148046;MM148046;CC1CC(O)(CN)CO1;LYOWOOUEJLYKBZ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148047;MM148047;CCC1(F)COC(C)C1;LVIJOQOYYQZJCY-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148048;MM148048;CC1CC(F)(CN)CO1;XTTOIMCDQGQIJG-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148049;MM148049;CC1CC(F)(CO)CO1;HATQBHRIOMBLKJ-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148050;MM148050;CNC1(C)COC(C)C1;WOUPYAAYJQULCF-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148051;MM148051;COC1(C)COC(C)C1;YKQJAPQIBWAFKP-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148052;MM148052;CCC1(C)CC(C)CN1;YXHCQGXQBHTQKK-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148053;MM148053;CC1CNC(C)(CN)C1;UMABNPVHBWNFFW-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148054;MM148054;CC1CNC(C)(CO)C1;KAHQLXPYOOZWNH-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148055;MM148055;CCC1(C)CC(N)CN1;ZEEDALKNQXYPKD-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148056;MM148056;CC1(CN)CC(N)CN1;IUBHTVCNUQYBBR-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148057;MM148057;CC1(CO)CC(N)CN1;JERNNDJIDJTVFH-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148058;MM148058;CCC1(C)CC(O)CN1;NBYHZIXNCMDJIF-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148059;MM148059;CC1(CN)CC(O)CN1;TXFBTJQRYAMHQZ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148060;MM148060;CC1(CO)CC(O)CN1;DGVZHQWAYUDJNR-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148061;MM148061;CCC1(C)CC(F)CN1;KIFHBFDDKOGLEA-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148062;MM148062;CC1(CN)CC(F)CN1;FSULVYCRVVRRMA-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148063;MM148063;CC1(CO)CC(F)CN1;VFKDKJZCRBVFKG-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148064;MM148064;CCC1(C)CC(C)CO1;HICKGMDEPYTBRR-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148065;MM148065;CC1COC(C)(CN)C1;VKPXEMUNJSHOOU-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148066;MM148066;CCC1(C)CC(N)CO1;XWJQQCZBSUBROE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148067;MM148067;CC1(CO)CC(N)CO1;UFOWAWNRSWECOE-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148068;MM148068;CCC1(C)CC(O)CO1;QKADHOBFWJDXQB-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148069;MM148069;CC1(CN)CC(O)CO1;TYPFKRIULNXSTD-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148070;MM148070;CC1(CO)CC(O)CO1;JTFYYBTVYBTZHN-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148071;MM148071;CCC1(C)CC(F)CO1;QCCIXIYXDUSCGA-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148072;MM148072;CC1(CN)CC(F)CO1;NGCJIAWTKIJDSU-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148073;MM148073;CC1(CO)CC(F)CO1;IUEUIIXNSUODJZ-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148074;MM148074;CCC1(C)CCC(C)N1;YYYCREVVVRTDGY-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148075;MM148075;CC1CCC(C)(CN)N1;OYVYSIFXAWGALT-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148076;MM148076;CC1CCC(C)(CO)N1;ZNBKPKDCMBPDHN-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148077;MM148077;CC1CCC(C)(CF)N1;NTKUOQGXDTYLII-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148078;MM148078;CCC1(C)CCC(C)O1;CNNZULVWPACAAZ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148079;MM148079;CC1CCC(C)(CN)O1;MBXVVJRIKVWSJD-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148080;MM148080;CC1CCC(C)(CO)O1;CUNQYZKNFBMREE-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148081;MM148081;CCC1(C)COC(C)O1;VHTULDOCCQOIAN-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148082;MM148082;CC1OCC(C)(CN)O1;INLOMBMCGUOGPB-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148083;MM148083;CC1OCC(C)(CO)O1;CFQPFPYIFSOLSH-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148084;MM148084;CCC1(C)OCC(C)O1;MMEAMWZNWXLIIZ-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148085;MM148085;CC1COC(C)(CN)O1;NVSZFWOQVVJRJT-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148086;MM148086;CCC1(C)CCN(C)C1;MCZZSCSUZONQDT-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148087;MM148087;CN1CCC(C)(CN)C1;HBEGEQPEVWXGGD-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148088;MM148088;CN1CCC(C)(CO)C1;LSWLZQGMAHFPLN-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148089;MM148089;CN1CCC(C)(CF)C1;WCGXCKBNUSCSBS-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148090;MM148090;CN1CCC(N)(CN)C1;HLJXUWZYKQJSMU-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148091;MM148091;CN1CCC(N)(CF)C1;ZRFFMTJQEQVPIS-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148092;MM148092;CCC1(O)CCN(C)C1;VEUBYHKGPKVDJJ-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148093;MM148093;CN1CCC(O)(CN)C1;BNSONRNXBPIZQM-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148094;MM148094;CN1CCC(O)(CO)C1;OZCZTCMQIWWMBC-UHFFFAOYSA-N;131.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148095;MM148095;CN1CCC(O)(CF)C1;LWYSBNPOJYKCNT-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148096;MM148096;CN1CCC(F)(CN)C1;GGSVTSCVNCBWFW-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148097;MM148097;CNC1(C)CCN(C)C1;IMUAQIGIAKKMIG-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148098;MM148098;COC1(C)CCN(C)C1;NZMPMWBUSYHDKB-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148099;MM148099;C=CC1(C)CCC(C)C1;BFILOCHSBIEAOG-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148100;MM148100;CC1CCC(C)(C=O)C1;MZGZBRGBFPNHCH-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148101;MM148101;CC1CCC(C)(C#N)C1;NWXQRTZPLJMUAB-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148102;MM148102;C=CC1(C)CCC(N)C1;NEJRFHDAICKTSN-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148103;MM148103;C=CC(C)(O)C(=O)NN;HTOJMNMLIJTKJL-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148104;MM148104;CC1(C=O)CCC(O)C1;AGKRMASNAACRLG-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148105;MM148105;CC1(C#N)CCC(O)C1;DRVGYPFBODEZDL-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148106;MM148106;C=CC1(C)CCC(F)C1;WUJKQVJFSJNTKE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148107;MM148107;CC1(C=O)CCC(F)C1;RJAGPNWAMHVDJH-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148108;MM148108;CC1(C#N)CCC(F)C1;BVIWTQIPGZQPGE-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148109;MM148109;C=CC1(N)CCC(C)C1;UPEHXMKSEQOEOX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148110;MM148110;C=CC1(N)CCC(N)C1;LOLYUKHTWLWWTD-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148111;MM148111;C=CC1(N)CCC(O)C1;TWPYMBAFVZLLGR-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148112;MM148112;C=CC1(N)CCC(F)C1;ACZXTQYXAPOJPT-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148113;MM148113;CC=NOCC(=O)NN;BZIJZZXCTBUSIR-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148114;MM148114;CC1CCC(O)(C=O)C1;VIUHECCLPRAHMP-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148115;MM148115;CC1CCC(O)(C#N)C1;ORAPSWAAGNCSCB-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148116;MM148116;C=CC1(O)CCC(N)C1;OSKUCOJBILCZGB-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148117;MM148117;C=CC1(O)CCC(O)C1;KUKWBKUPVUKMGE-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148118;MM148118;O=CC1(O)CCC(O)C1;HHFQIDAMHVBVNK-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148119;MM148119;N#CC1(O)CCC(O)C1;NPHFIHAMZLXKAL-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148120;MM148120;C=CC1(O)CCC(F)C1;MKEBGWKKBSHZHE-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148121;MM148121;O=CC1(O)CCC(F)C1;UQYWMJOICWSNJK-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148122;MM148122;N#CC1(O)CCC(F)C1;TYXOACOKWCBMTC-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148123;MM148123;C=CC1(F)CCC(C)C1;AAPHYBPFRWYXFB-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148124;MM148124;CC1CCC(F)(C=O)C1;USCHASMGARCVOO-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148125;MM148125;CC1CCC(F)(C#N)C1;LUVOPLMVJYIGQY-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148126;MM148126;C=CC1(F)CCC(N)C1;RTUYLZANDHQUMD-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148127;MM148127;C=CC1(F)CCC(O)C1;CRJLGFMTLZSQEW-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148128;MM148128;O=CC1(F)CCC(O)C1;ZOBHJSKLSZCZGC-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148129;MM148129;N#CC1(F)CCC(O)C1;YJWFTWWDUAPKGY-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148130;MM148130;C=CC1(F)CCC(F)C1;CREWJHZNWFIYBG-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148131;MM148131;O=CC1(F)CCC(F)C1;PPHFIRCUVLPJRB-UHFFFAOYSA-N;134.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148132;MM148132;C=CC1(C)CNC(C)C1;DQEPXRSNQREIKN-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148133;MM148133;CC1CC(C)(C=O)CN1;QMLPTINNYVNILO-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148134;MM148134;CC1CC(C)(C#N)CN1;DQMCHLCJQSTUFZ-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148135;MM148135;C=CC1(N)CNC(C)C1;IFCPRVJBSOOMOU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148136;MM148136;C=CC1(O)CNC(C)C1;TYAXXPXDXUJXDK-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148137;MM148137;CC1CC(O)(C=O)CN1;RSQHAWMWAFJHKN-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148138;MM148138;C=CC1(F)CNC(C)C1;FWVGQOJMPUYUMN-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148139;MM148139;CC1CC(F)(C=O)CN1;IIXMKZMIMMKQJH-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148140;MM148140;C=CC1(C)COC(C)C1;BGFLGXYREJQMOW-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148141;MM148141;CC1CC(C)(C=O)CO1;NRUYFRIZALPFTK-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148142;MM148142;CC1CC(C)(C#N)CO1;KNFQWLKAKFUPMY-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148143;MM148143;C=CC1(N)COC(C)C1;MMIXILXVBJBZQW-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148144;MM148144;C=CC1(O)COC(C)C1;AMMXRXHGFUNJBI-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148145;MM148145;CC1CC(O)(C=O)CO1;QIRAKCGDOUEJOG-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148146;MM148146;CC1CC(O)(C#N)CO1;KORJGBTWPPCFGP-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148147;MM148147;C=CC1(F)COC(C)C1;RXKDOMFARYMJLS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148148;MM148148;CC1CC(F)(C=O)CO1;HWKHSYPONSSZFO-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148149;MM148149;CC1CC(F)(C#N)CO1;AMCYBPAGOSPGGO-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148150;MM148150;C=CC1(C)CC(C)CN1;DYLGAEFKFSLVEY-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148151;MM148151;CC1CNC(C)(C=O)C1;LTJPEAWNZUXJAG-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148152;MM148152;C=CC1(C)CC(N)CN1;NLEJNOWSCNYEQZ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148153;MM148153;C=CC1(C)CC(O)CN1;ZBVNXCCKOITJGM-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148154;MM148154;CC1(C=O)CC(O)CN1;WFRRNOSPRQIWJP-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148155;MM148155;NNC(=O)CC#CCO;KOUZCZABZCSDBV-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148156;MM148156;C=CC1(C)CC(F)CN1;NMGXUCBZMUOOIT-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148157;MM148157;CC1(C#N)CC(F)CN1;BHYKTSZZHHAPMS-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148158;MM148158;C=CC1(C)CC(C)CO1;ZDAUOPKDKYAIGL-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148159;MM148159;CC1COC(C)(C=O)C1;ZHVBACDXQZMVQF-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148160;MM148160;CC1COC(C)(C#N)C1;GMXSATIOEDADHN-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148161;MM148161;C=CC1(C)CC(N)CO1;SAXXUDZNGQWVJI-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148162;MM148162;C=CC1(C)CC(O)CO1;PSENRUCGOWVHJR-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148163;MM148163;CC1(C#N)CC(O)CO1;AZRVAGVDZGRSHG-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148164;MM148164;C=CC1(C)CC(F)CO1;CGNSTGQZCQBWCZ-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148165;MM148165;CC1(C=O)CC(F)CO1;CGBPPOIYVNXEFI-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148166;MM148166;CC1(C#N)CC(F)CO1;JNSNRGMGVQEFDP-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148167;MM148167;C=CC1(C)CCC(C)N1;DHSCPVLMCKKZOR-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148168;MM148168;CC1CCC(C)(C=O)N1;NTGKDQPQPYHLLH-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148169;MM148169;C=CC1(C)CCC(C)O1;UZNFMVFUQYWYET-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148170;MM148170;CC1CCC(C)(C=O)O1;BJENXHUOMUWDKJ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148171;MM148171;CC1CCC(C)(C#N)O1;NOEHTLLOVHRAAP-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148172;MM148172;C=CC1(C)COC(C)O1;XTRVBHGDOLCBPG-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148173;MM148173;CC1OCC(C)(C=O)O1;CMABVTUWKUBCRN-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148174;MM148174;CC1OCC(C)(C#N)O1;IOYFDMFORBVROS-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148175;MM148175;C=CC1(C)OCC(C)O1;LIFCMUYKCBFRLO-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148176;MM148176;CC1COC(C)(C#N)O1;FRNNBDGBTHZCAW-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148177;MM148177;C=CC1(C)CCN(C)C1;HIGTWRGEHQHTKS-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148178;MM148178;CN1CCC(C)(C=O)C1;IZJKXPJTPFSEPW-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148179;MM148179;C=CC1(N)CCN(C)C1;NJZTULCSUHJIHY-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148180;MM148180;C=CC1(O)CCN(C)C1;KEDXBLSLZCLFSC-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148181;MM148181;CN1CCC(F)(C#N)C1;DSGSNXHLXZLESI-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148182;MM148182;C#CC1(C)CCC(C)C1;MGYMUOUVJJMJGQ-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148183;MM148183;C#CC1(C)CCC(N)C1;CZOQIYJLYDHUKP-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148184;MM148184;CNc1nc(F)c(C)[nH]1;JWJWEJMADJBNJU-UHFFFAOYSA-N;129.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148185;MM148185;C#CC1(C)CCC(F)C1;ALZMTMAVXGIWSR-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148186;MM148186;C#CC1(N)CCC(C)C1;ORIKEIWVILLOJA-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148187;MM148187;C#CC1(N)CCC(N)C1;LOMCBILAHHGHAS-UHFFFAOYSA-N;124.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148188;MM148188;C#CC1(N)CCC(O)C1;FXGVIARIOGGUMP-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148189;MM148189;C#CC1(N)CCC(F)C1;TUBVBKXDKBDFIK-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148190;MM148190;C#CC1(O)CCC(C)C1;GDMBWADGQRZALG-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148191;MM148191;C#CC1(O)CCC(N)C1;CBEXIELRXDUNSX-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148192;MM148192;C#CC1(O)CCC(O)C1;JGXZKVNPDXTTOT-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148193;MM148193;C#CC1(O)CCC(F)C1;PWJMYNDPBSDPIN-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148194;MM148194;C#CC1(F)CCC(C)C1;GKWNDZNRQBPOAG-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148195;MM148195;C#CC1(F)CCC(N)C1;RBWVUVHDJYGSNH-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148196;MM148196;C#CC1(F)CCC(O)C1;AGUCYGISIMKYLG-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148197;MM148197;C#CC1(C)CNC(C)C1;WVDYWPHBYVNWAB-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148198;MM148198;C#CC1(N)CNC(C)C1;XFLYFKLVGCTHIJ-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148199;MM148199;C#CC1(O)CNC(C)C1;KPIVXWWOLYFKPV-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148200;MM148200;C#CC1(F)CNC(C)C1;WBTQUPQMSCRRJW-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148201;MM148201;C#CC1(C)COC(C)C1;DMGVCWSFEARYAD-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148202;MM148202;C#CC1(N)COC(C)C1;MMILKDHYHDBCPM-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148203;MM148203;C#CC1(O)COC(C)C1;PALHWTYXALBMMQ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148204;MM148204;C#CC1(C)CC(C)CN1;DMNAJXITCVCVDP-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148205;MM148205;C#CC1(C)CC(N)CN1;RLCXWAIETOBIQN-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148206;MM148206;C#CC1(C)CC(O)CN1;CRYPODNDJNRUDF-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148207;MM148207;C#CC1(C)CC(F)CN1;JCQUXFHMWHYDCG-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148208;MM148208;C#CC1(C)CC(C)CO1;ZMVKPBRQPIKTHV-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148209;MM148209;C#CC1(C)CC(N)CO1;IYXVJPLZBDBDNI-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148210;MM148210;C#CC1(C)CC(O)CO1;KJWUSECPHZZLNK-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148211;MM148211;C#CC1(C)CC(F)CO1;OHEHYYDLTDKVMM-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148212;MM148212;C#CC1(C)CCC(C)N1;ZCRUAPYMYIDSRX-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148213;MM148213;C#CC1(C)CCC(C)O1;QVILWQRSPYJOLM-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148214;MM148214;C#CC1(C)COC(C)O1;LTGKKXMZXOBZIS-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148215;MM148215;C#CC1(C)OCC(C)O1;GXDRNYOKIGOGMK-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148216;MM148216;C#CC1(C)CCN(C)C1;XBFDRCXYGWKIKW-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148217;MM148217;C#CC1(N)CCN(C)C1;CBDXJZXRCSENOD-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148218;MM148218;C#CC1(O)CCN(C)C1;JQECONUSRDRNSH-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148219;MM148219;C=C1CCC(C)(CC)C1;CRXJRNHQNRCARA-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148220;MM148220;C=C1CCC(C)(CN)C1;OQCAYYDTSVQOKL-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148221;MM148221;OCCNC(=NO)NO;JQXWDLIRWIFWPR-UHFFFAOYSA-N;135.12;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148222;MM148222;C=C1CCC(C)(CF)C1;JLPHJUKAPFDYTP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148223;MM148223;CCC1(C)CCC(=O)C1;IUZULRVGAITOOO-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148224;MM148224;CC1(CO)CCC(=O)C1;PWJOEEZKNDXBSL-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148225;MM148225;CC1(CF)CCC(=O)C1;QDQUAZQDYZSYQN-UHFFFAOYSA-N;130.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148226;MM148226;C=C1CCC(N)(CC)C1;NLODUAUZVGVTAT-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148227;MM148227;C=C1CCC(N)(CN)C1;LIKRJIUZJNPFOQ-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148228;MM148228;C=C1CCC(N)(CO)C1;XQIYWFWYANZGKY-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148229;MM148229;C=C1CCC(N)(CF)C1;MWSFRXPDHOUAGC-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148230;MM148230;NNC(=O)C=CCC(F)F;ZKTYTTZWHVEJJS-UHFFFAOYSA-N;150.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148231;MM148231;C=C1CCC(O)(CN)C1;MYMWPZBTXOJQPV-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148232;MM148232;C=C1CCC(O)(CO)C1;BGIYOULOCVFYNP-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148233;MM148233;C=C1CCC(O)(CF)C1;WDGOQBCJTNVMEA-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148234;MM148234;CCC1(O)CCC(=O)C1;DZUJQEMPNLJROD-UHFFFAOYSA-N;128.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148235;MM148235;O=C1CCC(O)(CO)C1;BIXYGJPOUSQLJW-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148236;MM148236;O=C1CCC(O)(CF)C1;YJKPLLCQPDVMHA-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148237;MM148237;C=C1CCC(F)(CC)C1;LUIKFMDLLULHOR-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148238;MM148238;C=C1CCC(F)(CN)C1;LKOKDMMNXCLOGI-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148239;MM148239;C=C1CCC(F)(CO)C1;OORIKKOTWYBBSE-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148240;MM148240;CCC1(F)CCC(=O)C1;MKCOUXHTIZFUFW-UHFFFAOYSA-N;130.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148241;MM148241;C=C1CCC(C)(NC)C1;VMKPYUVVHHPFCH-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148242;MM148242;CNC1(C)CCC(=O)C1;OSHUNOYLBSEUTC-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148243;MM148243;C=C1CCC(C)(OC)C1;GQZWHNBCLLBUKM-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148244;MM148244;COC1(C)CCC(=O)C1;MXXSVCPWWULKIP-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148245;MM148245;CCC1(C)CNC(=N)C1;AUVNRYAVQQWMHN-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148246;MM148246;CC1(CN)CNC(=N)C1;KGEXHEJEHXMPCH-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148247;MM148247;CC1(CO)CNC(=N)C1;XXHONQCZWXWKNK-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148248;MM148248;CCC1(C)CNC(=O)C1;XXBDVSFUTMOBHO-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148249;MM148249;CC1(CN)CNC(=O)C1;ILQDBYITDRJSTM-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148250;MM148250;CC1(CO)CNC(=O)C1;QGIFFTTTXRPFEN-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148251;MM148251;CCC1(N)CNC(=N)C1;AOJNAVCDFKDAKP-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148252;MM148252;N=C1CC(N)(CN)CN1;IMUKJROQYPALLK-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148253;MM148253;N=C1CC(N)(CO)CN1;DLXZZEZZQSMXGW-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148254;MM148254;N=C1CC(N)(CF)CN1;AQTVAPQAMDFLTG-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148255;MM148255;CCC1(N)CNC(=O)C1;IXTIQXUZNKGENL-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148256;MM148256;NCC1(N)CNC(=O)C1;ZMZTZLBOAWSUFZ-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148257;MM148257;NC1(CO)CNC(=O)C1;BEDTXYVNZKTNHZ-UHFFFAOYSA-N;130.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148258;MM148258;CCC1(O)CNC(=N)C1;ZYBIGXZTQNVQJP-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148259;MM148259;N=C1CC(O)(CN)CN1;ACORCHUHIUQEHL-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148260;MM148260;N=C1CC(O)(CO)CN1;YSADFBJXCHVAQL-UHFFFAOYSA-N;130.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148261;MM148261;N=C1CC(O)(CF)CN1;GTMGXQNVSADCGX-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148262;MM148262;CCC1(O)CNC(=O)C1;LDULRILXCBUOOW-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148263;MM148263;NCC1(O)CNC(=O)C1;ORYHNUNKZDEJHN-UHFFFAOYSA-N;130.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148264;MM148264;O=C1CC(O)(CO)CN1;LNSDSIMWVXMVLM-UHFFFAOYSA-N;131.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148265;MM148265;O=C1CC(O)(CF)CN1;HJNYUFHDDMZSTH-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148266;MM148266;CCC1(F)CNC(=N)C1;DOMJMXXJRULNAP-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148267;MM148267;N=C1CC(F)(CN)CN1;WFSYKYJJELFGKC-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148268;MM148268;N=C1CC(F)(CO)CN1;FRRMCFPSHHWNRK-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148269;MM148269;CCC1(F)CNC(=O)C1;CWQLKEHWQKCGNA-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148270;MM148270;NCC1(F)CNC(=O)C1;JRCQVXITZPWDJV-UHFFFAOYSA-N;132.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148271;MM148271;CNC1(C)CNC(=N)C1;XAVVRIWLZGAKQN-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148272;MM148272;CNC1(C)CNC(=O)C1;PEJHQWRTXCTKDB-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148273;MM148273;COC1(C)CNC(=N)C1;CCRSOQPACDZCNQ-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148274;MM148274;COC1(C)CNC(=O)C1;SXBMZQWGLIXMOM-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148275;MM148275;C=C1CC(C)(CC)CO1;BNHAKMOQIWZWJM-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148276;MM148276;C=C1CC(C)(CN)CO1;BPCAFOQZZWZVLL-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148277;MM148277;C=C1CC(C)(CO)CO1;UCCBDUIOXQRNCH-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148278;MM148278;C=C1CC(C)(CF)CO1;JIGORNFBCXVFHT-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148279;MM148279;CCC1(C)COC(=O)C1;CHDAMWZEYINXCG-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148280;MM148280;CC1(CN)COC(=O)C1;QGLOBPRXILDVBX-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148281;MM148281;CC1(CO)COC(=O)C1;QYXNYUCNIBVLMH-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148282;MM148282;CC1(CF)COC(=O)C1;GESVBZXOZLKHCE-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148283;MM148283;C=C1CC(N)(CC)CO1;COWMIPPRNGLADO-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148284;MM148284;C=C1CC(N)(CN)CO1;MNKHEVBPMWVZEX-UHFFFAOYSA-N;128.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148285;MM148285;C=C1CC(N)(CO)CO1;RIQKPDALHVUGSL-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148286;MM148286;C=C1CC(N)(CF)CO1;SBZYKALTCKCFGM-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148287;MM148287;CCC1(N)COC(=O)C1;LWDUWEAPSAHOTG-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148288;MM148288;NCC1(N)COC(=O)C1;JJCBWKZDQXFSFV-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148289;MM148289;C=C1CC(O)(CC)CO1;UCZDNRVHKLZADW-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148290;MM148290;C=C1CC(O)(CN)CO1;YMYIZROLARDKSN-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148291;MM148291;C=C1CC(O)(CF)CO1;RPEJZYAAUQPBLT-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148292;MM148292;CCC1(O)COC(=O)C1;FHPWSLLZQIDPGT-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148293;MM148293;NCC1(O)COC(=O)C1;BGTFPQYDIAUDNI-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148294;MM148294;O=C1CC(O)(CO)CO1;DKZDYOGAQSXRDO-UHFFFAOYSA-N;132.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148295;MM148295;O=C1CC(O)(CF)CO1;YZOSQHVTTLFXDC-UHFFFAOYSA-N;134.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148296;MM148296;C=C1CC(F)(CC)CO1;AFNKYACCHLRKML-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148297;MM148297;C=C1CC(F)(CN)CO1;SKVSWIQTWHFGSN-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148298;MM148298;C=C1CC(F)(CO)CO1;BZPLOYYQCJRZGA-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148299;MM148299;CCC1(F)COC(=O)C1;CCRMHLOADAUACL-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148300;MM148300;NCC1(F)COC(=O)C1;GFOPHLJMKPHFFF-UHFFFAOYSA-N;133.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148301;MM148301;C=C1CC(C)(NC)CO1;MCXIKLWTGDZKCK-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148302;MM148302;CNC1(C)COC(=O)C1;OEOBFPVTOSAUMY-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148303;MM148303;C=C1CC(C)(OC)CO1;SSBHCQQHEOEFTL-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148304;MM148304;COC1(C)COC(=O)C1;IATXEBKDGRIKPW-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148305;MM148305;C=C1CNC(C)(CC)C1;ZNPBAZFJAMOHQQ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148306;MM148306;C=C1CNC(C)(CN)C1;BIMYAMFUPWOOJW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148307;MM148307;C=C1CNC(C)(CO)C1;NLIRXJQVYUDFGC-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148308;MM148308;C=C1CNC(C)(CF)C1;XFYBPYQXKOVLFK-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148309;MM148309;CCC1(C)CC(=N)NN1;ASOIQGSXYHVLTG-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148310;MM148310;CC1(CN)CC(=N)NN1;WSSSUAMBZGXZIW-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148311;MM148311;CC1(CO)CC(=N)NN1;KGHKLYMAYPUWFC-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148312;MM148312;CNN=C(C)C(O)C(C)=O;HHZIFPLVDZFJKZ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148313;MM148313;CC1(CN)CC(=O)NN1;HLUHZTKUHKWFNC-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148314;MM148314;CC1(CO)CC(=O)NN1;ODTBVGSDTWPQDF-UHFFFAOYSA-N;130.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148315;MM148315;CC1(CF)CC(=O)NN1;UBTDFPMDRLQPLX-UHFFFAOYSA-N;132.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148316;MM148316;C=C1COC(C)(CC)C1;CMJCTRPZZZOQSE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148317;MM148317;C=C1COC(C)(CN)C1;IPKVQWCTZLQGJI-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148318;MM148318;C=C1COC(C)(CO)C1;MPSUTGOKHPLIRQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148319;MM148319;C=C1COC(C)(CF)C1;CETWWZSKSGTFIN-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148320;MM148320;CCC1(C)CC(=O)CO1;AXDWWWNKOWMOAQ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148321;MM148321;CC1(CO)CC(=O)CO1;PKOUBXWOHIAMOE-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148322;MM148322;C=C1COC(C)(OC)C1;LDNQTEFGXSTTOB-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148323;MM148323;CCC1(C)CC(=N)NO1;FECVFUGDEXEVJF-UHFFFAOYSA-N;128.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148324;MM148324;CC1(CN)CC(=N)NO1;WGQCMCORMSIHMD-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148325;MM148325;N#CC(=O)CC(CO)=NO;AKQPXUOFDMRERO-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148326;MM148326;CCC1(C)CCC(=N)N1;TVTQKZRCOXKEBP-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148327;MM148327;CC1(CN)CCC(=N)N1;QSKQQBGYWNJCFA-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148328;MM148328;CC1(CO)CCC(=N)N1;WSBMQHZOLNCVBZ-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148329;MM148329;CCC1(C)CCC(=O)N1;ONPSGGXNIQWLNW-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148330;MM148330;CC1(CN)CCC(=O)N1;YEMHTMAJVSSDKA-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148331;MM148331;CC1(CO)CCC(=O)N1;ZNAPPCVBCHWFFH-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148332;MM148332;CCC1(C)CNC(=N)N1;RITBZFCNMOLOJF-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148333;MM148333;CC1(CN)CNC(=N)N1;AKFYGMYEBYXRMP-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148334;MM148334;CC1(CO)CNC(=N)N1;GSVGGLHLAISFSU-UHFFFAOYSA-N;129.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148335;MM148335;CCC1(C)CNC(=O)N1;KPJHMOPMABKURC-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148336;MM148336;CC1(CN)CNC(=O)N1;XCWGHTQCHRDURN-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148337;MM148337;CC1(CO)CNC(=O)N1;CUMVGZDCSHJYJP-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148338;MM148338;CCC1(C)COC(=O)N1;WREDSYJEBOJHBW-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148339;MM148339;CC1(CN)COC(=O)N1;GPUZXRISKZMMQG-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148340;MM148340;CC1(CO)COC(=O)N1;JKUDHKGYEHJGQR-UHFFFAOYSA-N;131.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148341;MM148341;CC1(CF)COC(=O)N1;VZGYQYUTCHGXEU-UHFFFAOYSA-N;133.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148342;MM148342;C=C1CCC(C)(CC)O1;BIKVCKOCITZEJR-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148343;MM148343;C=C1CCC(C)(CN)O1;BUXHNPJSHIPITH-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148344;MM148344;C=C1CCC(C)(CO)O1;NGAYBKGTBGKVGN-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148345;MM148345;CCC1(C)CCC(=O)O1;MJFDQFVZHVJKFU-UHFFFAOYSA-N;128.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148346;MM148346;CC1(CN)CCC(=O)O1;MVNUQGOOGLLVGJ-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148347;MM148347;CC1(CO)CCC(=O)O1;KZRFDSUTMHKFOX-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148348;MM148348;C=C1CCC(C)(OC)O1;YDGPTCTVZWXQSG-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148349;MM148349;COC1(C)CCC(=O)O1;UFWOAJCTIVFURG-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148350;MM148350;CCC1(C)CNC(=N)O1;DQMGFFWNLXAEKR-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148351;MM148351;CC1(CN)CNC(=N)O1;KZQTWSVSMLUEOI-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148352;MM148352;CCC1(C)CNC(=O)O1;VKEBHHZWWJHLRI-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148353;MM148353;CC1(CN)CNC(=O)O1;JHJBJJUFKMUQFS-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148354;MM148354;CC1(CO)CNC(=O)O1;QXYRUERBIOVYTM-UHFFFAOYSA-N;131.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148355;MM148355;COC1(C)CNC(=O)O1;PPHMOEUPAQKBAV-UHFFFAOYSA-N;131.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148356;MM148356;CCC1(C)COC(=O)O1;JBFMCXZGDRAONO-UHFFFAOYSA-N;130.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148357;MM148357;CC1(CN)COC(=O)O1;ZETIMATYEDDSRI-UHFFFAOYSA-N;131.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148358;MM148358;CC1(CO)COC(=O)O1;KXICQIFJGXEHKH-UHFFFAOYSA-N;132.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148359;MM148359;COC1(C)COC(=O)O1;KNYBQYYRNVRWDO-UHFFFAOYSA-N;132.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148360;MM148360;C=C1COC(C)(CC)O1;HQIDCAYWYOFOFB-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148361;MM148361;C=C1COC(C)(CN)O1;ICJWNKRMKLRWTM-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148362;MM148362;C=C1COC(C)(CO)O1;YLQMTJISFKRDGI-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148363;MM148363;CCC1(C)OCC(=O)O1;GOKOYCDRVCQUFA-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148364;MM148364;CC1(CN)OCC(=O)O1;TWKAKVDVYZSZHR-UHFFFAOYSA-N;131.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148365;MM148365;CCC1(C)ONC(=N)O1;MYNKPLBDVLUXPE-UHFFFAOYSA-N;130.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148366;MM148366;C=CC1(C)CCC(=C)C1;CYUHXOVKHNJAOX-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148367;MM148367;C=C1CCC(C)(C=O)C1;GHQOTWURCDZMTJ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148368;MM148368;C=C1CCC(C)(C#N)C1;YFLHUVANTOSLFY-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148369;MM148369;C=CC1(C)CCC(=O)C1;CBYHCZCGFCUJQT-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148370;MM148370;CC1(C=O)CCC(=O)C1;IOFQZMOQISWOBW-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148371;MM148371;CC1(C#N)CCC(=O)C1;OOGKBJYFGKSSNR-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148372;MM148372;C=CC1(N)CCC(=C)C1;KDNJDWARLFBZEX-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148373;MM148373;C#CC(O)COC(=O)NN;YVIXAMKMBMRAHI-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148374;MM148374;C=C1CCC(O)(C=O)C1;KPNXVAGGGVHMTQ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148375;MM148375;C=C1CCC(O)(C#N)C1;WPFIHNKQNWWNPF-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148376;MM148376;C=CC1(O)CCC(=O)C1;NWTAZFIIPBEVOR-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148377;MM148377;O=CC1(O)CCC(=O)C1;NNWHDDXPTVVOKV-UHFFFAOYSA-N;128.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148378;MM148378;N#CC1(O)CCC(=O)C1;ROFMLTHGMPPUAQ-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148379;MM148379;C=CC1(F)CCC(=C)C1;YXEWTHNJDZJODR-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148380;MM148380;C=C1CCC(F)(C=O)C1;NMCUSQMHVMTPBD-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148381;MM148381;C=C1CCC(F)(C#N)C1;HQBQAHIEUXDBLS-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148382;MM148382;C=CC1(F)CCC(=O)C1;HTCFZLSOSDJARE-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148383;MM148383;O=CC1(F)CCC(=O)C1;WTGSCMWTHAEOMK-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148384;MM148384;N#CC1(F)CCC(=O)C1;PZVMQNAXIYDQEO-UHFFFAOYSA-N;127.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148385;MM148385;C=CC1(C)CNC(=N)C1;DEHBDWYZPDQBEJ-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148386;MM148386;CC1(C=O)CN=C(N)C1;MZNKDBJDYWXNIW-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148387;MM148387;CC1(C#N)CNC(=N)C1;UJNCJXDJYKECMK-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148388;MM148388;C=CC1(C)CNC(=O)C1;VUNXIZMCOOEVCX-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148389;MM148389;CC1(C=O)CNC(=O)C1;OVXCNRPSTYCPLE-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148390;MM148390;CC1(C#N)CNC(=O)C1;GJUJPNHKNJEGHM-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148391;MM148391;C=CC1(N)CNC(=N)C1;BTRGANYCLANQCF-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148392;MM148392;C=CC1(N)CNC(=O)C1;VJNVOCNHTTWWGO-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148393;MM148393;C=CC1(O)CNC(=N)C1;MGSWQMAZINQOJH-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148394;MM148394;NC1=NCC(O)(C=O)C1;DAPNWQZYBYCODF-UHFFFAOYSA-N;128.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148395;MM148395;N#CC1(O)CNC(=N)C1;GCXRYKSHWFENQV-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148396;MM148396;C=CC1(O)CNC(=O)C1;BFTDSNWWVDHDNR-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148397;MM148397;O=CC1(O)CNC(=O)C1;CVFHOMMAEKANES-UHFFFAOYSA-N;129.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148398;MM148398;N#CC1(O)CNC(=O)C1;AMOVLAQYBIMMCQ-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148399;MM148399;C=CC1(F)CNC(=N)C1;CZCQEULHVGSWEI-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148400;MM148400;N=C1CC(F)(C=O)CN1;QBICVZZGXAEQKU-UHFFFAOYSA-N;130.12;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148401;MM148401;N#CC1(F)CNC(=N)C1;IOGZVQAOHNXXAZ-UHFFFAOYSA-N;127.12;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148402;MM148402;C=CC1(F)CNC(=O)C1;QPRCJKGUGXYSKE-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148403;MM148403;O=CC1(F)CNC(=O)C1;IEBKWEFNZKFROW-UHFFFAOYSA-N;131.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148404;MM148404;N#CC1(F)CNC(=O)C1;CKRWUXXRSVQBLN-UHFFFAOYSA-N;128.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148405;MM148405;C=CC1(C)COC(=C)C1;QHQTXIFTADMOKF-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148406;MM148406;C=C1CC(C)(C=O)CO1;PNIGQDXLHWDTKK-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148407;MM148407;C=C1CC(C)(C#N)CO1;MKUPQXXRRRYCQL-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148408;MM148408;C=CC1(C)COC(=O)C1;SNUQLXSRLZRCOJ-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148409;MM148409;CC1(C=O)COC(=O)C1;NIWLLXUXTADIJR-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148410;MM148410;CC1(C#N)COC(=O)C1;RPVHDVHRDUFXCJ-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148411;MM148411;C=CC1(N)COC(=C)C1;MSMFNCBDMOYOFP-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148412;MM148412;C=CC1(O)COC(=C)C1;UBMFKZBAJPGXFR-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148413;MM148413;C=C1CC(O)(C=O)CO1;VYLFHOXTTHCULV-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148414;MM148414;C=C1CC(O)(C#N)CO1;IZYNPRGOBGQGBQ-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148415;MM148415;C=CC1(O)COC(=O)C1;QXYJZEPAFBJQPW-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148416;MM148416;O=CC1(O)COC(=O)C1;JEVLAHYYSQMFAO-UHFFFAOYSA-N;130.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148417;MM148417;N#CC1(O)COC(=O)C1;VMBUMRQQSYZCLC-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148418;MM148418;C=CC1(F)COC(=C)C1;IYXUSNIRLNBJPO-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148419;MM148419;C=C1CC(F)(C=O)CO1;VTEWTBBTPCZBHI-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148420;MM148420;C=C1CC(F)(C#N)CO1;PWQKSBPDQWUMHZ-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148421;MM148421;C=CC1(F)COC(=O)C1;QPWIQGUVSSPXDQ-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148422;MM148422;O=CC1(F)COC(=O)C1;ZSVBMOIZVKUICK-UHFFFAOYSA-N;132.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148423;MM148423;N#CC1(F)COC(=O)C1;SRLLSRMVIXKBCH-UHFFFAOYSA-N;129.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148424;MM148424;C=CC1(C)CC(=C)CN1;OPQWTDNRPLMVEE-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148425;MM148425;C=C1CNC(C)(C=O)C1;FMMZSFBPRSEPLX-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148426;MM148426;C=C1CNC(C)(C#N)C1;FRZNEKOYGURLOX-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148427;MM148427;NNC(=O)C=CC#CCF;YDOPONSTKCYLKD-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148428;MM148428;C=NNC(=NO)NCCO;NBMNWGUERLJODI-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148429;MM148429;C=CC1(C)CC(=N)NN1;QODAALBXAYPBHX-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148430;MM148430;CC1(C=O)CC(=N)NN1;IPMMTVRLGMVQOF-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148431;MM148431;CC1(C#N)CC(=N)NN1;BBILMJZRFSSJGR-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148432;MM148432;C=CC1(C)CC(=O)NN1;DFZDFUXCQHEKTE-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148433;MM148433;CC1(C=O)CC(=O)NN1;UAGOSGMVOISYRX-UHFFFAOYSA-N;128.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148434;MM148434;CC1(C#N)CC(=O)NN1;YAKIQJPVGFYXMZ-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148435;MM148435;C=CC1(C)CC(=C)CO1;WTDQDDWTYPTDSQ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148436;MM148436;C=C1COC(C)(C=O)C1;TVTATFOZIFSOEK-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148437;MM148437;C=C1COC(C)(C#N)C1;KMFDZGBEVQKPQG-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148438;MM148438;C=CC1(C)CC(=O)CO1;UACAVKREIWDDBN-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148439;MM148439;CC1(C=O)CC(=O)CO1;WDBNTXULIFTZOJ-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148440;MM148440;CC1(C#N)CC(=O)CO1;TWZDXBCCCLJNMH-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148441;MM148441;C=CC1(C)CC(=N)NO1;CASLKXDHSYIDJP-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148442;MM148442;CC1(C#N)CC(=N)NO1;GSUGQZGXCQRUDZ-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148443;MM148443;C=CC1(C)CCC(=N)N1;OPBDTFNGPOOYTE-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148444;MM148444;CC1(C=O)CCC(=N)N1;UZRPDPKQJZLORE-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148445;MM148445;CC1(C#N)CCC(=N)N1;SNQPUHFEFAHAOA-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148446;MM148446;C=CC1(C)CCC(=O)N1;PWEUXJHEKOSIEK-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148447;MM148447;CC1(C=O)CCC(=O)N1;JZMWYAIKSJZUSE-UHFFFAOYSA-N;127.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148448;MM148448;CC1(C#N)CCC(=O)N1;BXKKJJWDNAORNS-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148449;MM148449;C=CC1(C)CNC(=N)N1;FMUZELPMHUCVGV-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148450;MM148450;CC1(C=O)CNC(=N)N1;PHDOPOUUPQVBMG-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148451;MM148451;CC1(C#N)CNC(=N)N1;ROEJLOTYWSUIMT-UHFFFAOYSA-N;124.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148452;MM148452;C=CC1(C)CNC(=O)N1;QZHIPDPOWKNSGG-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148453;MM148453;CC1(C=O)CNC(=O)N1;CDOZLNHZMOKUMY-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148454;MM148454;CC1(C#N)CNC(=O)N1;FXLICHFMLLEKOM-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148455;MM148455;C#CC(CNNC=O)=NN;TWAJQIRLKFNAJY-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148456;MM148456;C=CC1(C)COC(=O)N1;GHIKRVZYLNKSEG-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148457;MM148457;CC1(C=O)COC(=O)N1;HUXNIDFOUKEOKH-UHFFFAOYSA-N;129.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148458;MM148458;CC1(C#N)COC(=O)N1;VGXIRWZTPSJZKK-UHFFFAOYSA-N;126.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148459;MM148459;C=CC1(C)CCC(=C)O1;VGVQUYYJYCDLCN-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148460;MM148460;C=C1CCC(C)(C=O)O1;NCDZZFPVUJORBI-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148461;MM148461;C=C1CCC(C)(C#N)O1;XZQJKHJAFLRJTO-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148462;MM148462;C=CC1(C)CCC(=O)O1;QESPSAHXYXIGBG-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148463;MM148463;CC1(C=O)CCC(=O)O1;VUEWHDMKQBVVBC-UHFFFAOYSA-N;128.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148464;MM148464;CC1(C#N)CCC(=O)O1;KHNPHLKHFPCYEV-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148465;MM148465;C=CC1(C)CNC(=O)O1;OQKLRWJGVBOEDX-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148466;MM148466;CC1(C=O)CNC(=O)O1;XZFDKRDIHZRFFD-UHFFFAOYSA-N;129.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148467;MM148467;CC1(C#N)CNC(=O)O1;IZRLELREELNXAJ-UHFFFAOYSA-N;126.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148468;MM148468;C=CC1(C)COC(=O)O1;CHEDCMPRPAISMY-UHFFFAOYSA-N;128.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148469;MM148469;CC1(C=O)COC(=O)O1;MWPIUVVJXPJGRE-UHFFFAOYSA-N;130.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148470;MM148470;CC1(C#N)COC(=O)O1;VQZORBGRVMJYHE-UHFFFAOYSA-N;127.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148471;MM148471;C=CC1(C)OCC(=C)O1;BABOPEZMODLMDA-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148472;MM148472;C=C1COC(C)(C=O)O1;SGSXTKNWBPMCNV-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148473;MM148473;C=C1COC(C)(C#N)O1;DPIITUNVSWLTQN-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148474;MM148474;C=CC1(C)OCC(=O)O1;CWSKFAXWCAWQSB-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148475;MM148475;CC1(C#N)OCC(=O)O1;FSEDNXWTQYMOGB-UHFFFAOYSA-N;127.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148476;MM148476;C=CC1(C)ONC(=N)O1;SQAJTUYTMQSFPG-UHFFFAOYSA-N;128.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148477;MM148477;O=CCC#CCNNC=O;WCWISVOTWRDVJH-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148478;MM148478;C#CC1(C)CCC(=C)C1;BFPCZDBMDOQBOO-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148479;MM148479;C#CC1(C)CCC(=O)C1;NRUCRDRNTXHFQF-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148480;MM148480;C#CC1(N)CCC(=C)C1;BKXXXRUZWUVRPJ-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148481;MM148481;C#CC1(O)CCC(=C)C1;POMLAUSWWNOKJP-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148482;MM148482;C#CC1(O)CCC(=O)C1;ATNQPABQELXZRA-UHFFFAOYSA-N;124.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148483;MM148483;C#CC1(F)CCC(=C)C1;JPWIOUPTHLVWLC-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148484;MM148484;C#CC1(F)CCC(=O)C1;XZHLIBWRXGGEEY-UHFFFAOYSA-N;126.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148485;MM148485;C#CC1(C)CNC(=N)C1;PYSWUFLRZGNKAB-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148486;MM148486;C#CC1(C)CNC(=O)C1;GLCDVRYCZAUXPL-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148487;MM148487;C#CC1(N)CNC(=N)C1;RLKWWLUPDVJBEG-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148488;MM148488;C#CC1(O)CNC(=N)C1;FBAHMZKUYKSJBG-UHFFFAOYSA-N;124.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148489;MM148489;C#CC1(O)CNC(=O)C1;IYWSMUHUAIHWCM-UHFFFAOYSA-N;125.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148490;MM148490;C#CC1(F)CNC(=N)C1;KRCOPCMBJFOIAW-UHFFFAOYSA-N;126.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148491;MM148491;C#CC1(F)CNC(=O)C1;FAYCIKZBSGMOQX-UHFFFAOYSA-N;127.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148492;MM148492;C#CC1(C)COC(=C)C1;BYLWBVYFKBCPDJ-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148493;MM148493;C#CC1(C)COC(=O)C1;YHOXVCAKYJFDNS-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148494;MM148494;C#CC1(N)COC(=C)C1;UCJXOIQFGQENTH-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148495;MM148495;C#CC1(O)COC(=C)C1;SFTCNUKBGJOYMT-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148496;MM148496;C#CC1(O)COC(=O)C1;WJPQBSBNFNOIAJ-UHFFFAOYSA-N;126.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148497;MM148497;C#CC1(F)COC(=C)C1;XDRSXQGCNSIJTE-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148498;MM148498;C#CC1(F)COC(=O)C1;IGWCFMLFVFFZML-UHFFFAOYSA-N;128.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148499;MM148499;C#CC1(C)CC(=C)CN1;VDRIKDOBKURDQZ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148500;MM148500;C#CC1(C)CC(=N)NN1;FXDJVHDSKVFSAF-UHFFFAOYSA-N;123.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148501;MM148501;C#CC1(C)CC(=O)NN1;LVMBSXSNWSYSME-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148502;MM148502;C#CC1(C)CC(=C)CO1;NTARWOHUHCNUNG-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148503;MM148503;C#CC1(C)CC(=O)CO1;OMIDZUGUAFNRKE-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148504;MM148504;C#CC1(C)CC(=N)NO1;JQFUQZCKEHLHKH-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148505;MM148505;C#CC1(C)CCC(=N)N1;PALSZNHTIQHIQK-UHFFFAOYSA-N;122.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148506;MM148506;C#CC1(C)CCC(=O)N1;NFTVIVXSKXZMRR-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148507;MM148507;C#CC1(C)CNC(=N)N1;FPKPHHYACRVPGT-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148508;MM148508;C#CC1(C)CNC(=O)N1;YKEVWGHLEOUJOS-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148509;MM148509;C#CC1(C)COC(=O)N1;FUTXFGWGOVJIIN-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148510;MM148510;C#CC1(C)CCC(=C)O1;SZUQYACQAOGOOF-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148511;MM148511;C#CC1(C)CCC(=O)O1;NWANPMDGPFSYMR-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148512;MM148512;C#CC1(C)CNC(=O)O1;QDWMMNFCTVKTIA-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148513;MM148513;C#CC1(C)COC(=O)O1;KVPDDGFRCTZRKV-UHFFFAOYSA-N;126.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148514;MM148514;C#CC1(C)OCC(=C)O1;KFKTVAJBINHMFW-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148515;MM148515;C#CC1(C)OCC(=O)O1;FWPCJTASPSWPES-UHFFFAOYSA-N;126.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148516;MM148516;NN=C1NN=C(NN)ON1;NGWDTELWCQGUBT-UHFFFAOYSA-N;145.13;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148517;MM148517;CCC1(C)C=CC(C)C1;DSXVBEDVUFADBV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148518;MM148518;CC1C=CC(C)(CN)C1;RMMBKEZFMNUWMF-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148519;MM148519;CC(=NO)N1CC1C;QMHGRDDRYZLZBZ-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148520;MM148520;CC1C=CC(C)(CF)C1;VXWMETDUBUDYFS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148521;MM148521;CCC1(C)C=CC(N)C1;HIANRVKPIRNFJO-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148522;MM148522;CC1(CN)C=CC(N)C1;FKIMGFBIJPJYPS-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148523;MM148523;CC1(CO)C=CC(N)C1;PYZHXVVGMFVPCF-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148524;MM148524;CNNC(=O)CC(C)F;WBZITNPEVQBVGU-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148525;MM148525;CC1(CN)C=CC(O)C1;ZEEBRHLHAWSUNV-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148526;MM148526;CC1(CO)C=CC(O)C1;IDWWUCXOGPDLEV-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148527;MM148527;CCC1(C)C=CC(F)C1;RZKDEJDQKXSYFF-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148528;MM148528;CC1(CN)C=CC(F)C1;VGWVCFKXJZYFSF-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148529;MM148529;CC1(CO)C=CC(F)C1;NIWKULAMYGLNSN-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148530;MM148530;CCC1(N)C=CC(C)C1;ZRMFKDAHACXFEW-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148531;MM148531;CC1C=CC(N)(CN)C1;QFFFLDFDJJBWAR-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148532;MM148532;CC1C=CC(N)(CO)C1;VFSYURRSHRPWNK-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148533;MM148533;CC1C=CC(N)(CF)C1;ZVUPOOZKKBPNMA-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148534;MM148534;CCC1(N)C=CC(N)C1;POMQEHSCJWWFSD-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148535;MM148535;NCC1(N)C=CC(N)C1;XJHKLRDGQNGTCO-UHFFFAOYSA-N;127.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148536;MM148536;NC1C=CC(N)(CF)C1;UZUUVQUUFJSSID-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148537;MM148537;CCC1(N)C=CC(O)C1;BUNYMDRVHPKYEW-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148538;MM148538;NCC1(N)C=CC(O)C1;TYPRVOMCCXQGNH-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148539;MM148539;NC1(CO)C=CC(O)C1;KZJCBQMUUVPIQA-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148540;MM148540;NC1(CF)C=CC(O)C1;RGAWXSNHGQBTQO-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148541;MM148541;CCC1(N)C=CC(F)C1;KNLHGTOKQOAFOV-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148542;MM148542;NCC1(N)C=CC(F)C1;IKKKTKQRHMVLCJ-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148543;MM148543;NC1(CO)C=CC(F)C1;CGUZSVDZKXNWRA-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148544;MM148544;NC1(CF)C=CC(F)C1;DGDZVFRDGLQBCN-UHFFFAOYSA-N;133.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148545;MM148545;CCON(C)C(=O)NN;OJEJTZBHBWEBJX-UHFFFAOYSA-N;133.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148546;MM148546;CC1C=CC(O)(CN)C1;ACOVXENIYJQITA-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148547;MM148547;CCC1(O)C=CC(N)C1;XENGOURQTVMEKB-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148548;MM148548;NCC1(O)C=CC(N)C1;OKSYZWLOJWTORS-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148549;MM148549;CCC1(O)C=CC(O)C1;VJKMXNLFJUOCJB-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148550;MM148550;NCC1(O)C=CC(O)C1;GGTCEWZVWOSYHU-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148551;MM148551;OCC1(O)C=CC(O)C1;XOSKEEWUAQPQCF-UHFFFAOYSA-N;130.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148552;MM148552;CCC1(O)C=CC(F)C1;PRZCMLZNFSLSLM-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148553;MM148553;NCC1(O)C=CC(F)C1;JPHJWTOOUHCQRF-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148554;MM148554;OCC1(O)C=CC(F)C1;PROHANPNLAIYMA-UHFFFAOYSA-N;132.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148555;MM148555;OC1(CF)C=CC(F)C1;OZTMLJKPODTNNS-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148556;MM148556;CCC1(F)C=CC(C)C1;YPIMXMHPJHKRLM-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148557;MM148557;CC1C=CC(F)(CN)C1;HPTDTKCCNCWHIC-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148558;MM148558;CC1C=CC(F)(CO)C1;KYSRPEMJRPQQAI-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148559;MM148559;CCC1(F)C=CC(N)C1;AURJSPHVQCUNPZ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148560;MM148560;NCC1(F)C=CC(N)C1;WXRBJBCZYOJYRU-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148561;MM148561;NC1C=CC(F)(CO)C1;WHQZYHRAKPZHGT-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148562;MM148562;CCC1(F)C=CC(O)C1;RRIHACMUATWULM-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148563;MM148563;NCC1(F)C=CC(O)C1;OJPLWBGWAKARHJ-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148564;MM148564;OCC1(F)C=CC(O)C1;JSIUMODFWUILKG-UHFFFAOYSA-N;132.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148565;MM148565;CCC1(F)C=CC(F)C1;BZVRDHLXYVTDAG-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148566;MM148566;NCC1(F)C=CC(F)C1;LDJUWRJJWGEGLC-UHFFFAOYSA-N;133.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148567;MM148567;OCC1(F)C=CC(F)C1;JJVVMNAUSHBACP-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148568;MM148568;CNC1(C)C=CC(C)C1;ZZYMROCGLKFKHF-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148569;MM148569;CNC1(C)C=CC(N)C1;IKKJPORWCYNOQQ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148570;MM148570;CNC1(C)C=CC(O)C1;CFFZSFFATHLWNV-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148571;MM148571;CNC1(C)C=CC(F)C1;WBQIYYNGRUZJDS-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148572;MM148572;COC1(C)C=CC(C)C1;NBNBYOITWLKDOP-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148573;MM148573;COC1(C)C=CC(N)C1;KGMOAUMPJMURKW-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148574;MM148574;COC1(C)C=CC(O)C1;GQBOTWUVUBSWNT-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148575;MM148575;COC1(C)C=CC(F)C1;BUYJCEUCZDSZEB-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148576;MM148576;CCC1(C)C=CC(C)N1;NQPCALNCYNZOSX-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148577;MM148577;CC1C=CC(C)(CN)N1;SQQCINRKEQZBBR-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148578;MM148578;CC1C=CC(C)(CO)N1;HWZUODDDPSSWKP-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148579;MM148579;CCC1(C)C=CC(C)O1;BSMQBCUIHIBYBF-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148580;MM148580;CC1C=CC(C)(CN)O1;PKORXWJHPOEJSK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148581;MM148581;CC1C=CC(C)(CO)O1;CTNWGWRAJTTZRW-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148582;MM148582;COC1(C)C=CC(C)O1;IEJFJHAYZMEPJS-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148583;MM148583;CCC1(C)C=NN(C)C1;DDKBMSBZNXMSAM-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148584;MM148584;CN1CC(C)(CN)C=N1;VVCWVZHHIYFPEG-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148585;MM148585;C=CC1=CC(F)C(=N)N1;MGWBXBMMRSZOKC-UHFFFAOYSA-N;126.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148586;MM148586;CN1CC(C)(CF)C=N1;FMUOICVYTZYULB-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148587;MM148587;CN1CC(N)(CN)C=N1;JIQFBTOGDGYASJ-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148588;MM148588;CC(C)C1CN1C=NO;ZUVLJFWLZWKEOP-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148589;MM148589;CN1CC(O)(CN)C=N1;KNXFBKFXNYGVCO-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148590;MM148590;C=C(C)C(F)=CC(=O)NN;CZRVQSJOKUYXJN-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148591;MM148591;CC=CC(F)=CC(=O)NN;HTIUVYGLJZQDAI-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148592;MM148592;CCC1(F)C=NN(C)C1;XZKJURYFMVQMFV-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148593;MM148593;CCN=C(N)C(=O)NNC;VLGYBJKERNOWQX-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148594;MM148594;COC1(C)C=NN(C)C1;MYAWAWUMYUZELO-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148595;MM148595;CCC1(C)CN(C)C=N1;ILLMQYAVWFZMNU-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148596;MM148596;CN1C=NC(C)(CN)C1;YTXXIODBHRKRPN-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148597;MM148597;CN1C=NC(C)(CO)C1;UDAIZFWBYSHKPU-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148598;MM148598;CN1C=NC(C)(CF)C1;QXVBOOUVPCSIMH-UHFFFAOYSA-N;130.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148599;MM148599;CN(N)C(=O)NNCCO;FPTXMDSNKWRWGT-UHFFFAOYSA-N;148.17;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148600;MM148600;CC1C=C(C=NN)C=C1F;CBRPDLIXMNAPAB-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148601;MM148601;C#CC(O)C(C)(C#N)NC;KWMUWWGAGRRULG-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148602;MM148602;C=CC1(C)C=CC(C)C1;WSZKGVOCQKKSJJ-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148603;MM148603;CC1C=CC(C)(C=O)C1;ZDZHRZGYIIIVSH-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148604;MM148604;CC1C=CC(C)(C#N)C1;YLKWNIVGAZAMOT-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148605;MM148605;C=CC1(C)C=CC(N)C1;HKLSWULVVNJKTP-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148606;MM148606;C#CC1(OC(=O)NN)CC1;KRXYGGSZGYFAHU-UHFFFAOYSA-N;140.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148607;MM148607;CC1(C=O)C=CC(O)C1;AGIXLENLVOFOCJ-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148608;MM148608;CC1(C#N)C=CC(O)C1;QIVMBMOKBAJKMT-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148609;MM148609;C=CC1(C)C=CC(F)C1;XYIJZJOWSDHPRD-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148610;MM148610;CC1(C=O)C=CC(F)C1;ZRIPRJUYJICLOZ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148611;MM148611;CC1(C#N)C=CC(F)C1;ISCQBHGXKRDQNA-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148612;MM148612;C=CC1(N)C=CC(C)C1;IKBNBFNAZVCFKP-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148613;MM148613;C=CC1(N)C=CC(N)C1;LYYQESSOQIIWLO-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148614;MM148614;C=CC1(N)C=CC(O)C1;VPRUQTJXBKLYOB-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148615;MM148615;C=CC1(N)C=CC(F)C1;WRAFGKLDMZFBIC-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148616;MM148616;CNN=CC(O)C(=O)C=O;QHLZMVNCXIVPAF-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148617;MM148617;CC1C=CC(O)(C=O)C1;VBCMWNWAVNTCRJ-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148618;MM148618;CC1C=CC(O)(C#N)C1;LOOWVYKHSBRDKO-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148619;MM148619;C=CC1(O)C=CC(N)C1;ZKZYZEDBRRGDKC-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148620;MM148620;C=CC1(O)C=CC(O)C1;RAMWGFPKLUUTNV-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148621;MM148621;O=CC1(O)C=CC(O)C1;XRLYWCGFIPJGPJ-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148622;MM148622;N#CC1(O)C=CC(O)C1;RZJKZOMFHISLIW-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148623;MM148623;C=CC1(O)C=CC(F)C1;XCCDOPDYQVBOOC-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148624;MM148624;O=CC1(O)C=CC(F)C1;VKLDVMMNTNLEKE-UHFFFAOYSA-N;130.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148625;MM148625;N#CC1(O)C=CC(F)C1;TYIRZLMSHAUDQR-UHFFFAOYSA-N;127.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148626;MM148626;C=CC1(F)C=CC(C)C1;NCZGBTLBBUXQGP-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148627;MM148627;CC1C=CC(F)(C=O)C1;XXJWXTJTRQSFDK-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148628;MM148628;C=CC1(F)C=CC(N)C1;WIEXXYBVFMXZRT-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148629;MM148629;C=CC1(F)C=CC(O)C1;XDGLWSQFYPKARQ-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148630;MM148630;O=CC1(F)C=CC(O)C1;JPGSYXDIWZOMNJ-UHFFFAOYSA-N;130.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148631;MM148631;N#CC1(F)C=CC(O)C1;XCLROWIBOAJZLA-UHFFFAOYSA-N;127.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148632;MM148632;C=CC1(F)C=CC(F)C1;OUYGMOGXZYKREH-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148633;MM148633;O=CC1(F)C=CC(F)C1;UWKBVVGLFVFHQB-UHFFFAOYSA-N;132.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148634;MM148634;N#CC1(F)C=CC(F)C1;DITVDZRZOHAWGB-UHFFFAOYSA-N;129.11;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148635;MM148635;C=CC1(C)C=CC(C)N1;QGFDJOBPFMWUPS-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148636;MM148636;CC1C=CC(C)(C=O)N1;NADSPGBPHBFFCP-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148637;MM148637;CC1C=CC(C)(C#N)N1;OWIAPHPJAOBCTG-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148638;MM148638;C=CC1(C)C=CC(C)O1;KRWGAPUVSOPKNU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148639;MM148639;CC1C=CC(C)(C=O)O1;QYOIPHJAZDBTQP-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148640;MM148640;CC1C=CC(C)(C#N)O1;ZLXFCGMTEBBFRV-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148641;MM148641;C=CC1(C)C=NN(C)C1;RPVOTTIECYLEOT-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148642;MM148642;CN1CC(C)(C=O)C=N1;MTRTVKIYVAMSHY-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148643;MM148643;CN1CC(C)(C#N)C=N1;IJAKPLKJHJLUEC-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148644;MM148644;NC=C(NC=O)C(=O)NN;HRWBGUHWJQFWIX-UHFFFAOYSA-N;144.13;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148645;MM148645;CN1CC(O)(C=O)C=N1;VBGTVBYQMQVARX-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148646;MM148646;CN1CC(O)(C#N)C=N1;NDJVKVRZJGGSFN-UHFFFAOYSA-N;125.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148647;MM148647;C=CC1(F)C=NN(C)C1;CKBXXQZUXUPNAS-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148648;MM148648;CN1CC(F)(C=O)C=N1;VROPZDQDJOWLIE-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148649;MM148649;CN1CC(F)(C#N)C=N1;HVLFGCYZOHUTBQ-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148650;MM148650;C=CC1(C)CN(C)C=N1;AVVZURJFHNZASB-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148651;MM148651;CCN(C(N)=O)C(=O)NN;JXQSWSXNVKIEJD-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148652;MM148652;C#CC(CO)C(=O)NNC;ZIVQEFWKICITFE-UHFFFAOYSA-N;142.16;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148653;MM148653;CN(NC=O)C(=NO)NN;JREPSPLKBBFLMX-UHFFFAOYSA-N;147.14;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148654;MM148654;C#CC1(C)C=CC(C)C1;FZCLZUQJVMMTHF-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148655;MM148655;C#CC1(C)C=CC(N)C1;OKGKNNHLMOLFGV-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148656;MM148656;C=CC(=NO)NC1CC1F;PTTLCOCCQULMMA-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148657;MM148657;C#CC1(C)C=CC(F)C1;ZNWQBSKCLZAGEE-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148658;MM148658;C#CC1(N)C=CC(C)C1;OYZVTHOZDRKZOF-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148659;MM148659;C#CC1(N)C=CC(N)C1;CSZBUUCUQJBXJP-UHFFFAOYSA-N;122.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148660;MM148660;C#CC1(N)C=CC(O)C1;OPIWXQLQBRLHHZ-UHFFFAOYSA-N;123.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148661;MM148661;C#CC1(N)C=CC(F)C1;VIECERSWRNRXMO-UHFFFAOYSA-N;125.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148662;MM148662;C#CC1(O)C=CC(C)C1;WSXLWWAGHVHASA-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148663;MM148663;C#CC1(O)C=CC(N)C1;KZNGDRZFVDINPK-UHFFFAOYSA-N;123.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148664;MM148664;C#CC1(O)C=CC(O)C1;TVIQZQLWYFMRBB-UHFFFAOYSA-N;124.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148665;MM148665;C#CC1(O)C=CC(F)C1;AVBLYSQRCQPAKV-UHFFFAOYSA-N;126.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148666;MM148666;C#CC1(F)C=CC(C)C1;WPAUJENRIMKRDH-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148667;MM148667;C#CC1(F)C=CC(N)C1;VWYKTWRMMIJONV-UHFFFAOYSA-N;125.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148668;MM148668;C#CC1(F)C=CC(O)C1;VUQVOYNHFAIQJS-UHFFFAOYSA-N;126.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148669;MM148669;C#CC1(F)C=CC(F)C1;CBWYFUIWZHWWLQ-UHFFFAOYSA-N;128.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148670;MM148670;C#CC1(C)C=CC(C)N1;LHNHQBIAKTZXPP-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148671;MM148671;C#CC1(C)C=CC(C)O1;CENLDIQMMJWKMS-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148672;MM148672;C#CC1(C)C=NN(C)C1;CNMLDHPZJKBQEO-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148673;MM148673;C#CC1(O)C=NN(C)C1;ZCORIJGHIRZDAL-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148674;MM148674;C#CC1(F)C=NN(C)C1;WAIZMJNCDQQZCR-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148675;MM148675;C#CC1(C)CN(N)C=N1;RCZLWHFIJADMSW-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148676;MM148676;NN1CCC(=CF)NC1=O;NPVREAQBTDQWGE-UHFFFAOYSA-N;145.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148677;MM148677;C=C1C=CC(C)(CC)C1;JBLYNDYWAPDZER-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148678;MM148678;C=C1C=CC(C)(CN)C1;QLDZMRJEECEWER-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148679;MM148679;CNc1cn(CC#N)cn1;PSJINBVXJOPFKU-UHFFFAOYSA-N;136.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148680;MM148680;C=C1C=CC(C)(CF)C1;IOZBIPXGOMSPRG-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148681;MM148681;CCC1(C)C=CC(=O)C1;PMTIKDXJUXVFET-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148682;MM148682;CC1(CO)C=CC(=O)C1;YJXBROUOTLYPCK-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148683;MM148683;CC1(CF)C=CC(=O)C1;ZWNCOMOFEDIBIR-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148684;MM148684;C=C1C=CC(N)(CC)C1;ZPTWKAFEDZNOKH-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148685;MM148685;C=C1C=CC(N)(CN)C1;DGJDTJTUFGCLDS-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148686;MM148686;C=C1C=CC(N)(CO)C1;FDWHJZBLICLKKU-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148687;MM148687;C=C1C=CC(N)(CF)C1;ZYNOXUQDQQOUJZ-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148688;MM148688;CCc1cc(NC=O)[nH]n1;INMDJDZCQNRJCG-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148689;MM148689;C=C1C=CC(O)(CN)C1;JOKOWTNOHAEYKH-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148690;MM148690;C=C1C=CC(O)(CO)C1;KUPBVHGIDOMGOM-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148691;MM148691;C=C1C=CC(O)(CF)C1;HDLDCVVVKDOEPA-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148692;MM148692;CCC1(O)C=CC(=O)C1;ZJLUJLPHPIOQCC-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148693;MM148693;O=C1C=CC(O)(CO)C1;TXFWWLUWCOIJSZ-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148694;MM148694;O=C1C=CC(O)(CF)C1;OWPGAVWOQNMWNI-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148695;MM148695;C=C1C=CC(F)(CC)C1;FANCKCDNRMGHNC-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148696;MM148696;C=C1C=CC(F)(CN)C1;VBZCEZCQLBMDCG-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148697;MM148697;C=C1C=CC(F)(CO)C1;VUACPZPPVDODCP-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148698;MM148698;C=C1C=CC(F)(CF)C1;POHCCHAIFUBTDN-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148699;MM148699;CCC1(F)C=CC(=O)C1;HRQSCGNFWQIUCD-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148700;MM148700;O=C1C=CC(F)(CO)C1;KQCHEVQAKJDXBC-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148701;MM148701;O=C1C=CC(F)(CF)C1;XMVQBPVSJZJDBP-UHFFFAOYSA-N;132.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148702;MM148702;C=C1C=CC(C)(NC)C1;LQTYCZJMBMZKFE-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148703;MM148703;CNC1(C)C=CC(=O)C1;CNQXYCXZTHQETA-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148704;MM148704;C=C1C=CC(C)(OC)C1;WFGYRKXNWAAFAU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148705;MM148705;COC1(C)C=CC(=O)C1;CJUIFUBNENALOL-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148706;MM148706;CCC1(C)C=CC(=N)N1;WMVQJVGEGUPTJX-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148707;MM148707;CC1(CN)C=CC(=N)N1;XKDQFCCPGXZOMX-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148708;MM148708;CC1(CO)C=CC(=N)N1;MCIWQGKYQSHIIR-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148709;MM148709;CCC1(C)C=CC(=O)N1;JXPAXQVPPYDNDS-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148710;MM148710;CC1(CN)C=CC(=O)N1;FWCDZPOTFIMTBM-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148711;MM148711;CC1(CO)C=CC(=O)N1;KMTZWZORVUMPDR-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148712;MM148712;C=C1C=CC(C)(CC)O1;WCSYBTYOPBFKDG-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148713;MM148713;C=C1C=CC(C)(CN)O1;CZBKNPBDOLEBIH-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148714;MM148714;C=C1C=CC(C)(CO)O1;XDAQBBOZEFBADL-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148715;MM148715;C=C1C=CC(C)(CF)O1;GCJLYYOUHHJTRX-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148716;MM148716;CCC1(C)C=CC(=O)O1;FXTJSMSEYPMUMB-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148717;MM148717;CC1(CN)C=CC(=O)O1;XECBWIMMDIOGQW-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148718;MM148718;CC1(CO)C=CC(=O)O1;YWBPYSCGWZUZTP-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148719;MM148719;CC1(CF)C=CC(=O)O1;RKBAXPYSHGXELF-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148720;MM148720;C=C1C=CC(C)(OC)O1;PWRKBKYNUZCJDT-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148721;MM148721;COC1(C)C=CC(=O)O1;AZDJIRFELVPPKG-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148722;MM148722;C=CC1(C)C=CC(=C)C1;SGUWPZVWVWMZIT-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148723;MM148723;C=C1C=CC(C)(C=O)C1;RUZYWERRUXVKPU-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148724;MM148724;C=C1C=CC(C)(C#N)C1;IGQCNMOEIBLZFM-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148725;MM148725;C=CC1(C)C=CC(=O)C1;HNQFXLVXQJFMNU-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148726;MM148726;CC1(C=O)C=CC(=O)C1;FARIZJCMZUABSF-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148727;MM148727;CC1(C#N)C=CC(=O)C1;WNTUBBSTFPDKGQ-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148728;MM148728;C=CC1(N)C=CC(=C)C1;GQCAPLPQNFPUFG-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148729;MM148729;CN(C)NC(=O)NN;XRFLPZDWBNCYAI-UHFFFAOYSA-N;118.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148730;MM148730;C=C1C=CC(O)(C=O)C1;INNPTDIEXJYYFS-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148731;MM148731;C=C1C=CC(O)(C#N)C1;ZAONZXAZMKIHKC-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148732;MM148732;C=CC1(O)C=CC(=O)C1;LAIIYRQVJVODPJ-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148733;MM148733;O=CC1(O)C=CC(=O)C1;VSELXACXAUNBCV-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148734;MM148734;N#CC1(O)C=CC(=O)C1;ZMIIFQYBASMQOJ-UHFFFAOYSA-N;123.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148735;MM148735;C=CC1(F)C=CC(=C)C1;NSLFQEATWCACBK-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148736;MM148736;C=C1C=CC(F)(C=O)C1;GMZGCWIUNLJIDW-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148737;MM148737;C=C1C=CC(F)(C#N)C1;GWYBDLIRCUZPAZ-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148738;MM148738;C=CC1(F)C=CC(=O)C1;UGLGNSHAOVMECV-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148739;MM148739;O=CC1(F)C=CC(=O)C1;XHQXRGZRXRNLOM-UHFFFAOYSA-N;128.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148740;MM148740;N#CC1(F)C=CC(=O)C1;XXACHAXXGQUKPL-UHFFFAOYSA-N;125.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148741;MM148741;C=CC1(C)C=CC(=N)N1;ORNSHCXBCFOODA-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148742;MM148742;CC1(C=O)C=CC(N)=N1;ZBNCXHQOFINQID-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148743;MM148743;CC1(C#N)C=CC(=N)N1;OIOHXDAWFUDPDJ-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148744;MM148744;C=CC1(C)C=CC(=O)N1;ZBBRNFJQXZLGDC-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148745;MM148745;CC1(C=O)C=CC(=O)N1;QNOKOMMZDYZJJD-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148746;MM148746;CC1(C#N)C=CC(=O)N1;MREBXEQNUGYVHC-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148747;MM148747;C=CC1(C)C=CC(=C)O1;VDELZWLHVSOOSR-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148748;MM148748;C=C1C=CC(C)(C=O)O1;YOWNADPCRZWATH-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148749;MM148749;C=C1C=CC(C)(C#N)O1;NVCBBCZSLOLSFX-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148750;MM148750;C=CC1(C)C=CC(=O)O1;VEVSJPYFUMYDKQ-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148751;MM148751;CC1(C=O)C=CC(=O)O1;AACQNLGLOQKBPZ-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148752;MM148752;CC1(C#N)C=CC(=O)O1;JMCCGMNHKPYMIG-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148753;MM148753;C#CC1(C)C=CC(=C)C1;SLUKBEDHBHOZDP-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148754;MM148754;C#CC1(C)C=CC(=O)C1;PROPRFYDUUILBT-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148755;MM148755;C#CC1(N)C=CC(=C)C1;UUPYQDITBODLQD-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148756;MM148756;C#CC1(O)C=CC(=C)C1;NJTZWNWGGCLQNC-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148757;MM148757;C#CC1(O)C=CC(=O)C1;XJMOJTALALKZEM-UHFFFAOYSA-N;122.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148758;MM148758;C#CC1(F)C=CC(=C)C1;AXDKDSWODDSRBP-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148759;MM148759;C#CC1(F)C=CC(=O)C1;JEYHUDDADIEAPS-UHFFFAOYSA-N;124.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148760;MM148760;C#CC1(C)C=CC(=N)N1;FKECREBQXXWXTN-UHFFFAOYSA-N;120.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148761;MM148761;C#CC1(C)C=CC(=O)N1;CMOLSOYTKYNXRM-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148762;MM148762;C#CC1(C)C=CC(=C)O1;BZVTWZFYXODFDB-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148763;MM148763;C#CC1(C)C=CC(=O)O1;RMTRLOYXAHOABV-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148764;MM148764;CCC1(C)CC=C(C)C1;SOSXJWJLRXBSDS-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148765;MM148765;CC1=CCC(C)(CN)C1;GXSYMTDMSXFWCB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148766;MM148766;CNNC(=O)C=NN;QEBUHIROEGLZPT-UHFFFAOYSA-N;116.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148767;MM148767;CC1=CCC(C)(CF)C1;OQNIGRBCWASNDI-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148768;MM148768;CCC1(C)CC=C(F)C1;CHNMOPUHHGYBRS-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148769;MM148769;CC1(CN)CC=C(F)C1;IPRXQRGKKVQLCA-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148770;MM148770;CC1(CO)CC=C(F)C1;SWFYGFPSDIXTEQ-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148771;MM148771;CCC1(N)CC=C(C)C1;CLWLVTRZEWPXBX-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148772;MM148772;CC1=CCC(N)(CN)C1;SWFHZGBSYJKFEG-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148773;MM148773;CC1=CCC(N)(CO)C1;VAMJUTXSSODJAQ-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148774;MM148774;CC1=CCC(N)(CF)C1;DGRPBTVSKKYEIC-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148775;MM148775;CCC1(N)CC=C(F)C1;WNXJLATYSQAQME-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148776;MM148776;NCC1(N)CC=C(F)C1;SSTPGCNDVWOJMM-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148777;MM148777;NC1(CO)CC=C(F)C1;ZRNGRLDMIMZLLC-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148778;MM148778;NC1(CF)CC=C(F)C1;QQBBGVZXLIUGEB-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148779;MM148779;C#CCN(N)C(=O)NN;YYIYKWOVTXADKZ-UHFFFAOYSA-N;128.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148780;MM148780;CC1=CCC(O)(CN)C1;QBWJYKRRFSFDNZ-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148781;MM148781;CC1=CCC(O)(CO)C1;FDMCWZOGXMTCAZ-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148782;MM148782;CC1=CCC(O)(CF)C1;QCWCDQCKRWFZQW-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148783;MM148783;CCC1(O)CC=C(F)C1;OFKIHTYLMROLJG-UHFFFAOYSA-N;130.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148784;MM148784;NCC1(O)CC=C(F)C1;RCTKHLUGOMTNIU-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148785;MM148785;OCC1(O)CC=C(F)C1;OSTHADFTEOYFDX-UHFFFAOYSA-N;132.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148786;MM148786;CCC1(F)CC=C(C)C1;QGHOGLHPOXYGMW-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148787;MM148787;CC1=CCC(F)(CN)C1;MBCLZZAODVQTEU-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148788;MM148788;CC1=CCC(F)(CO)C1;HXJSBMPLNYEFMQ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148789;MM148789;CC1=CCC(F)(CF)C1;AOVQMNFRWNARRC-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148790;MM148790;CCC1(F)CC=C(F)C1;GJTAINODCBHABS-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148791;MM148791;NCC1(F)CC=C(F)C1;BUQMSBKDAMQRJD-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148792;MM148792;CNC1(C)CC=C(C)C1;NYTMRZYJCUPHIF-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148793;MM148793;CNC1(C)CC=C(F)C1;GQABVPJHUHQWNL-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148794;MM148794;COC1(C)CC=C(C)C1;RGZGROHEWSZENP-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148795;MM148795;COC1(C)CC=C(F)C1;LSNSETLESVKFPU-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148796;MM148796;CCC1(C)CC(C)=NN1;DKISPJYYXPWNTG-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148797;MM148797;CC1=NNC(C)(CN)C1;DPVHNUWHQFUWBZ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148798;MM148798;CC1OC(NN)=NC1=N;FXFMTXHEEONBGM-UHFFFAOYSA-N;128.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148799;MM148799;CCC1(C)CC(C)=CO1;HBESJRRPCQVEAC-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148800;MM148800;CC1=COC(C)(CN)C1;ACOMALIYKRKDEM-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148801;MM148801;CC1=COC(C)(CO)C1;KMKIEOONFXJQFK-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148802;MM148802;CCC1(C)CC(F)=CO1;WNDANMGLOYMXOU-UHFFFAOYSA-N;130.16;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148803;MM148803;CC1(CN)CC(F)=CO1;SEAJIKBJYRCCCN-UHFFFAOYSA-N;131.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148804;MM148804;CC1(CO)CC(F)=CO1;LXQDGXHXVXHWRT-UHFFFAOYSA-N;132.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148805;MM148805;CC1(CF)CC(F)=CO1;YLYVNAYBIPHNRH-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148806;MM148806;COC1(C)CC(C)=CO1;USWOAOWJQDSYBJ-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148807;MM148807;COC1(C)CC(F)=CO1;CWRBXSLRBQIFOE-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148808;MM148808;CCC1(C)CC(C)=NO1;XSQBACCAPIDWKA-UHFFFAOYSA-N;127.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148809;MM148809;CC1=NOC(C)(CN)C1;GDFCBGWOVRCZAD-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148810;MM148810;NN=CC1=CCC(F)=C1;AHULFMYXFILOGC-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148811;MM148811;COC1(C)CC(C)=NO1;LXPWTOCTDHZLBY-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148812;MM148812;CCC1(C)CN=C(C)N1;XWBRDCTYGDQGKL-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148813;MM148813;CC1=NC(C)(CN)CN1;GZDJHVUMLXUPAH-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148814;MM148814;CC1=NCC(C)(CO)N1;XAYOIRJZVDTYCG-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148815;MM148815;CC1=NC(C)(CF)CN1;WWOQSBURWFWMHG-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148816;MM148816;CCC1(C)CC=C(C)O1;OYDZSQISKRUZBX-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148817;MM148817;CC1=CCC(C)(CN)O1;RDWRITQIGFPKIQ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148818;MM148818;CC1=CCC(C)(CO)O1;SESIBRWDKQOXEG-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148819;MM148819;CC1=CCC(C)(CF)O1;FPBBNDYHGZABFM-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148820;MM148820;COC1(C)CC=C(C)O1;HPSLTNJSYHWVSR-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148821;MM148821;CCC1(C)OC=C(C)O1;UVOOYWJGWKDGJM-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148822;MM148822;CC1=COC(C)(CN)O1;KTSOVYGWYGDFFJ-UHFFFAOYSA-N;129.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148823;MM148823;CC1=COC(C)(CO)O1;VIWYTJLLZUBYCY-UHFFFAOYSA-N;130.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148824;MM148824;CC1=COC(C)(CF)O1;OJLMJZBEIYHBFB-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148825;MM148825;CCC1(C)ON=C(C)O1;AENQYGUUUCNZMQ-UHFFFAOYSA-N;129.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148826;MM148826;CC1=NOC(C)(CO)O1;MMMXGFTWFYAWCN-UHFFFAOYSA-N;131.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148827;MM148827;C=CC1(C)CC=C(C)C1;XAOTWQKGHJEFGN-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148828;MM148828;CC1=CCC(C)(C=O)C1;DCMLNZNYHXQTQQ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148829;MM148829;CC1=CCC(C)(C#N)C1;WSNSYDKFWDWXBG-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148830;MM148830;C=CC1(C)CC=C(F)C1;MKAIWAVZAIHAOU-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148831;MM148831;CC1(C=O)CC=C(F)C1;WRWCEJYBZKMHCA-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148832;MM148832;CC1(C#N)CC=C(F)C1;LOJJLLZUTKZNLA-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148833;MM148833;C=CC1(N)CC=C(C)C1;WKXYMOFTYVFBPR-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148834;MM148834;C=CC1(N)CC=C(F)C1;HRVXSSJMMLZHSX-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148835;MM148835;CCCC1CN1C=NO;QBFCNBQROKAPPK-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148836;MM148836;CC1=CCC(O)(C=O)C1;ZPRIVAMCVYXJTB-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148837;MM148837;CC1=CCC(O)(C#N)C1;CCAGMISPASXCCK-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148838;MM148838;C=CC1(O)CC=C(F)C1;KJBIITCMNUAMRN-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148839;MM148839;O=CC1(O)CC=C(F)C1;VMPQZZXSPRFCTN-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148840;MM148840;N#CC1(O)CC=C(F)C1;GNXUMWGAMIZTBT-UHFFFAOYSA-N;127.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148841;MM148841;C=CC1(F)CC=C(C)C1;PQUPOKNFIMBRRN-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148842;MM148842;CC1=CCC(F)(C=O)C1;TUNILKOCOZKZIN-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148843;MM148843;CC1=CCC(F)(C#N)C1;FYOFICQHAAXROZ-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148844;MM148844;C=CC1(F)CC=C(F)C1;BQTUNDBXIOLXQL-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148845;MM148845;O=CC1(F)CC=C(F)C1;CTYSTPQLTYPXTQ-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148846;MM148846;N#CC1(F)CC=C(F)C1;YTZDBEVIVGBLDX-UHFFFAOYSA-N;129.11;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148847;MM148847;C=CC1(C)CC(C)=NN1;UWXVBRJVZWKQMK-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148848;MM148848;C=CC(CF)C(=O)NN;DTIHQGAJECTRGG-UHFFFAOYSA-N;132.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148849;MM148849;C#CC(C)(O)C(O)C=NN;ZFZMGGHQRSUXAO-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148850;MM148850;C=CC1(C)CC(C)=CO1;FVBKAEJXQSAHSG-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148851;MM148851;CC1=COC(C)(C=O)C1;AHLVBFSNFLKQKL-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148852;MM148852;CC1=COC(C)(C#N)C1;GQXAOSAPGIXEDE-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148853;MM148853;C=CC1(C)CC(F)=CO1;MEPRXDWENCKUAC-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148854;MM148854;CC1(C=O)CC(F)=CO1;YYCYPVRXKGFKKR-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148855;MM148855;CC1(C#N)CC(F)=CO1;GOBSCXXWCFDAKN-UHFFFAOYSA-N;127.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148856;MM148856;C=CC1(C)CC(C)=NO1;XGQYUOATQIVBHK-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148857;MM148857;CC1=NOC(C)(C=O)C1;SKEXAYKHMGUITB-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148858;MM148858;CC1=NOC(C)(C#N)C1;SOJCATYGERKNSS-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148859;MM148859;C=CC1(C)CNC(C)=N1;MVASHLBPPJZPJR-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148860;MM148860;CC1=NC(C)(C=O)CN1;PKRYYJHEJWXJID-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148861;MM148861;C=CC1(C)CC=C(C)O1;HPYUSYAYIFNCQX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148862;MM148862;CC1=CCC(C)(C=O)O1;XEPYJFCZMVVCRG-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148863;MM148863;CC1=CCC(C)(C#N)O1;UTBNQSNRHSBZRA-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148864;MM148864;C=CC1(C)OC=C(C)O1;DZJWQSKOKZPHAN-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148865;MM148865;CC1=COC(C)(C=O)O1;ZDUZXIKECRTNNV-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148866;MM148866;CC1=COC(C)(C#N)O1;VDKWJKAMUCAPMK-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148867;MM148867;C=CC1(C)ON=C(C)O1;SDTRFJPOTPCRDP-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148868;MM148868;CC1=NOC(C)(C=O)O1;KJKDJTPFKRQIMK-UHFFFAOYSA-N;129.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148869;MM148869;CC1=NOC(C)(C#N)O1;FPTSQEPOOSAONC-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148870;MM148870;C#CC1(C)CC=C(C)C1;RHVDCYBAUUBPJT-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148871;MM148871;C#CC1(C)CC=C(F)C1;HDPJQYYJSKYCAQ-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148872;MM148872;C#CC1(N)CC=C(C)C1;VQBJALQFDCLKFY-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148873;MM148873;C#CC1(N)CC=C(F)C1;VOSWJZZCICVDEA-UHFFFAOYSA-N;125.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148874;MM148874;C#CC1(O)CC=C(C)C1;HEYZJVKKWCVJBB-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148875;MM148875;C#CC1(O)CC=C(F)C1;UNDHAXZZOOJGSP-UHFFFAOYSA-N;126.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148876;MM148876;C#CC1(F)CC=C(C)C1;UGRNXUKFULEYJY-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148877;MM148877;C#CC1(F)CC=C(F)C1;NGVLRFJTCIMWML-UHFFFAOYSA-N;128.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148878;MM148878;C=C(C=CF)NC(=O)NN;YWLKQGFRZFRBPG-UHFFFAOYSA-N;145.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148879;MM148879;C#CC1(C)CC(C)=CO1;PWOXWZDNGXBQGC-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148880;MM148880;C#CC1(C)CC(F)=CO1;FDQKBVYBEOZNRP-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148881;MM148881;C#CC1(C)CC(C)=NO1;CVUDBEDPIDLXLA-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148882;MM148882;C#CC1(C)CC=C(C)O1;UFKPLDDTQLVRPK-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148883;MM148883;C#CC1(C)OC=C(C)O1;ZPOZXGQFMMBSMT-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148884;MM148884;C#CC1(C)ON=C(C)O1;WBYVCTUXCXNAIH-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148885;MM148885;CCC1(C)C=C(C)CC1;BDYAJTQFVCQSMY-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148886;MM148886;CC1=CC(C)(CN)CC1;SLFDBYBEUKCMED-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148887;MM148887;CN(C)N=C(N)C(=O)NN;GARMSWKTJYNKIJ-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148888;MM148888;CC1=CC(C)(CF)CC1;FEFLXVOREMJUHC-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148889;MM148889;CCC1(C)C=C(F)CC1;MQEJNQQPIUKHOY-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148890;MM148890;CC1(CN)C=C(F)CC1;SBTINEQYPXPESF-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148891;MM148891;CC1(CO)C=C(F)CC1;YDCMXQKIWFQFFA-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148892;MM148892;CCC1(N)C=C(C)CC1;AMLWQXYXPOMUBK-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148893;MM148893;CC1=CC(N)(CN)CC1;NYCPKYKFPUFYLQ-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148894;MM148894;CC1=CC(N)(CO)CC1;ODJJPAAUXQGMFA-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148895;MM148895;CC1=CC(N)(CF)CC1;FSILYBLFGRDNKT-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148896;MM148896;CCC1(N)C=C(F)CC1;FTRWNXZSANPRIR-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148897;MM148897;NCC1(N)C=C(F)CC1;VFNUEXWIIFGUAM-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148898;MM148898;NC1(CO)C=C(F)CC1;YVBPRYGSLYFHQD-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148899;MM148899;NC1(CF)C=C(F)CC1;NUVGKINHWDHRIG-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148900;MM148900;CCC(=NO)NC1(C)CC1;FFEIDUGLGVYWMM-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148901;MM148901;CC1=CC(O)(CN)CC1;WDABVTWWPMYTIK-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148902;MM148902;CC1=CC(O)(CF)CC1;LQFLASXIEXTWOM-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148903;MM148903;CCC1(O)C=C(F)CC1;TTZFVYYPNIZUPV-UHFFFAOYSA-N;130.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148904;MM148904;NCC1(O)C=C(F)CC1;DVXRRHJATYWTSY-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148905;MM148905;OCC1(O)C=C(F)CC1;OHLUFAAVSVXYKH-UHFFFAOYSA-N;132.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148906;MM148906;OC1(CF)C=C(F)CC1;MHQCYYRQAFUQJD-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148907;MM148907;CCC1(F)C=C(C)CC1;MHIVWILMOGTJKR-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148908;MM148908;CC1=CC(F)(CN)CC1;CZZGKXNOCWSHPQ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148909;MM148909;CC1=CC(F)(CO)CC1;KGNUSOXKXMAVKP-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148910;MM148910;CC1=CC(F)(CF)CC1;ZAHRKMZAJNNCFL-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148911;MM148911;CCC1(F)C=C(F)CC1;IYYXDQVWQJLHOC-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148912;MM148912;NCC1(F)C=C(F)CC1;ZVJOEMCQBOPLMD-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148913;MM148913;CNC1(C)C=C(C)CC1;CTKUGTNCOPLOKI-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148914;MM148914;CNC1(C)C=C(F)CC1;KJAVLTDKTMIFNI-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148915;MM148915;COC1(C)C=C(C)CC1;BCJBQCPSFFVLSU-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148916;MM148916;COC1(C)C=C(F)CC1;KLCNDLHRBVEHDA-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148917;MM148917;CCC1(C)C=C(C)OC1;QXXPMWXBOWTMRN-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148918;MM148918;CC1=CC(C)(CN)CO1;XBEUXEJCLKOMII-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148919;MM148919;CC1=CC(C)(CO)CO1;ANKXQUJROSNKLV-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148920;MM148920;CC1=CC(C)(CF)CO1;XJZBHZRCKUYCTO-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148921;MM148921;CCC1(N)C=C(C)OC1;KIDKXNSKGPSLCV-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148922;MM148922;CC1=CC(N)(CN)CO1;PIRCVZSJJGVYRA-UHFFFAOYSA-N;128.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148923;MM148923;CC1=CC(N)(CO)CO1;MLICSWPAFXLJBN-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148924;MM148924;CCC1(O)C=C(C)OC1;MRRGPCUGPVURLZ-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148925;MM148925;CC1=CC(O)(CN)CO1;DSGXDFNUPQRXQX-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148926;MM148926;CC1=CC(O)(CO)CO1;RYQWZVCNXAFOOQ-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148927;MM148927;CC1=CC(O)(CF)CO1;IRVODWYAGOSCBV-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148928;MM148928;CCC1(F)C=C(C)OC1;ZTBAKUYGLPXPKR-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148929;MM148929;CC1=CC(F)(CN)CO1;ORPMJFXCUMBIPR-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148930;MM148930;CC1=CC(F)(CO)CO1;HYDYXBFFQAQVDU-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148931;MM148931;CNC1(C)C=C(C)OC1;STXKEWBWNRZKCO-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148932;MM148932;COC1(C)C=C(C)OC1;BKSDLGWERLGWON-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148933;MM148933;CCC1(C)C=C(C)CN1;QZRNDBARZCIGDP-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148934;MM148934;CC1=CC(C)(CN)NC1;GWKFXZVZUKIQED-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148935;MM148935;CC1=CC(C)(CO)NC1;PJVQGZHQYZBYPM-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148936;MM148936;CC1=CC(C)(CF)NC1;UBNDUYWGGPDZAK-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148937;MM148937;CCC1(C)C=C(F)CN1;CDTIKZSFKRJGIN-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148938;MM148938;CC1(CN)C=C(F)CN1;TUTUVIYAJCDVLH-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148939;MM148939;CCC1(C)C=C(C)CO1;VORHYKLFZCIVHZ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148940;MM148940;CC1=CC(C)(CN)OC1;HZDKIECGMGPNKV-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148941;MM148941;CC1=CC(C)(CO)OC1;XKSARERGHZEOGW-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148942;MM148942;CCC1(C)C=C(F)CO1;LQNLZQNGSLXSCG-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148943;MM148943;CC1(CN)C=C(F)CO1;CKSSQURAPSMQPM-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148944;MM148944;CC1(CO)C=C(F)CO1;IHNMORZURZNMRC-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148945;MM148945;COC1(C)C=C(C)CO1;NZQBZYNTBPUHEA-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148946;MM148946;COC1(C)C=C(F)CO1;MXLWFUGNRSKZCI-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148947;MM148947;CC1=NC(C)(CO)CN1;XAYOIRJZVDTYCG-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148948;MM148948;C=CC1(C)C=C(C)CC1;FVMKEMRACJHYLJ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148949;MM148949;CC1=CC(C)(C=O)CC1;LTFBKYRZAPNLFS-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148950;MM148950;CC1=CC(C)(C#N)CC1;NEWPDCJCSCEKMB-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148951;MM148951;C=CC1(C)C=C(F)CC1;IYEXSPWRZHNKHX-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148952;MM148952;CC1(C=O)C=C(F)CC1;ZGHFYDIUMISYNX-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148953;MM148953;CC1(C#N)C=C(F)CC1;VBSGQRBMGFGWRA-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148954;MM148954;C=CC1(N)C=C(C)CC1;QOFKCZCZDOIRDA-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148955;MM148955;C=CC1(N)C=C(F)CC1;XHHCSWZXWAROBO-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148956;MM148956;C=CC(CO)NC(C)=NO;AKPNTANRAJDYKX-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148957;MM148957;CC1=CC(O)(C=O)CC1;RSFPSMMCJMOGRZ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148958;MM148958;CC1=CC(O)(C#N)CC1;JMTUHWTWRTUZQY-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148959;MM148959;C=CC1(O)C=C(F)CC1;HFXIDUSYPGMVBM-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148960;MM148960;O=CC1(O)C=C(F)CC1;OGQGNLNNTPALET-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148961;MM148961;N#CC1(O)C=C(F)CC1;GMMZYFIFLOPLSX-UHFFFAOYSA-N;127.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148962;MM148962;C=CC1(F)C=C(C)CC1;PTCMSJWVBRDGTH-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148963;MM148963;CC1=CC(F)(C=O)CC1;XHQWYTRLJALDSC-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148964;MM148964;CC1=CC(F)(C#N)CC1;QMUMJMCSSVWGPD-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148965;MM148965;C=CC1(F)C=C(F)CC1;CDWXCJFKVKSMTE-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148966;MM148966;O=CC1(F)C=C(F)CC1;XMDCEWNSSCAWDO-UHFFFAOYSA-N;132.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148967;MM148967;N#CC1(F)C=C(F)CC1;QSXNTPQFEUBUIG-UHFFFAOYSA-N;129.11;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148968;MM148968;C=CC1(C)C=C(C)OC1;XYEBQRBYHXXELI-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148969;MM148969;CC1=CC(C)(C=O)CO1;GCCQZAIEGSZPSD-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148970;MM148970;CC1=CC(C)(C#N)CO1;NJGRNWNPNRGQHB-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148971;MM148971;C=CC1(N)C=C(C)OC1;FTTCIMZSZMLPPH-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148972;MM148972;C=CC1(O)C=C(C)OC1;XKQJKUDFVDJAMO-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148973;MM148973;CC1=CC(O)(C=O)CO1;IHQVGAMNAQSHLB-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148974;MM148974;CC1=CC(O)(C#N)CO1;SUFHIHIAYWSYKA-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148975;MM148975;C=CC1(F)C=C(C)OC1;ZJVLBWACVFGTCO-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148976;MM148976;CC1=CC(F)(C=O)CO1;YSQLDRQONSFBQS-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148977;MM148977;CC1=CC(F)(C#N)CO1;GVCMZGOSOCESCW-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148978;MM148978;C=CC1(C)C=C(C)CN1;ITKPSEFHVMXKJY-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148979;MM148979;CC1=CC(C)(C=O)NC1;CFCZUPYIUCOGRA-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148980;MM148980;CC1=CC(C)(C#N)NC1;FKPLSRDPYDCHFD-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148981;MM148981;CC1(C#N)C=C(F)CN1;HAVBLLCEQSAHKZ-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148982;MM148982;C=CC1(C)C=C(C)CO1;IXJKQEMDCODKBS-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148983;MM148983;CC1=CC(C)(C=O)OC1;MNTWGEOGLMLTMP-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148984;MM148984;CC1=CC(C)(C#N)OC1;MGPMTFOIBOLPHM-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148985;MM148985;C=CC1(C)C=C(F)CO1;PWTPRTFQZPDIEF-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148986;MM148986;CC1(C=O)C=C(F)CO1;YWDLTZNAMIKGLC-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148987;MM148987;CC1(C#N)C=C(F)CO1;AVQVZDRQRYONOU-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148988;MM148988;C#CC1(C)C=C(C)CC1;GKRBQTHLHFOKFC-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148989;MM148989;C#CC1(C)C=C(F)CC1;YIDHCPJXMIPDQZ-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148990;MM148990;C#CC1(N)C=C(C)CC1;VHWVIOLUJWBKLA-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148991;MM148991;C#CC1(N)C=C(F)CC1;GSUIKATXUCAPPP-UHFFFAOYSA-N;125.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148992;MM148992;C#CC1(O)C=C(C)CC1;SEKOPYHOMCRKDU-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148993;MM148993;C#CC1(O)C=C(F)CC1;YDDMUAXGHSNQBC-UHFFFAOYSA-N;126.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148994;MM148994;C#CC1(F)C=C(C)CC1;XFYIWKRKXMCKEO-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148995;MM148995;C#CC1(F)C=C(F)CC1;UIBAFOCPSXBESM-UHFFFAOYSA-N;128.12;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148996;MM148996;C#CC1(C)C=C(C)OC1;LEAFMAKCFSWXMA-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148997;MM148997;C#CC1(O)C=C(C)OC1;LABAGNBELFNIID-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148998;MM148998;C#CC1(F)C=C(C)OC1;XDUSHNDCIHQYBB-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM148999;MM148999;C#CC1(C)C=C(C)CN1;IVANTLDORPNLAK-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149000;MM149000;C#CC1(C)C=C(C)CO1;IEZCRPXXECZVOK-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149001;MM149001;C#CC1(C)C=C(F)CO1;FQOHZOVQGJTNLA-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149002;MM149002;CCC1(C)C=CC(C)=C1;XRSPKPNKEQIGGE-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149003;MM149003;CC1=CC(C)(CN)C=C1;DWRGELURLPMEHC-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149004;MM149004;CN(C=O)N(C)C(=O)NN;BWVGBYOFHUWZOR-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149005;MM149005;CC1=CC(C)(CF)C=C1;HLHFWJWOKAAHAP-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149006;MM149006;CCC1(C)C=CC(F)=C1;CSGCOQMCTMDVFQ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149007;MM149007;CC1(CN)C=CC(F)=C1;ANHOYXBAIBEVMZ-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149008;MM149008;CC1(CO)C=CC(F)=C1;QPJUGXCVHXIILY-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149009;MM149009;CCC1(N)C=CC(C)=C1;RMVZQQNMYDADNH-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149010;MM149010;CC1=CC(N)(CN)C=C1;TZGAXLUYLLAUFR-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149011;MM149011;CC1=CC(N)(CO)C=C1;DGBDHOXZXKXGOA-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149012;MM149012;CCC1(N)C=CC(F)=C1;ZYBLLGQCZQLOSV-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149013;MM149013;NCC1(N)C=CC(F)=C1;LIFQRRVBSNWMAX-UHFFFAOYSA-N;128.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149014;MM149014;NC1(CO)C=CC(F)=C1;YOYSGDAWBZTCLK-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149015;MM149015;CC(OC=NN)C(=O)NN;VZCCRIXKTARFJY-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149016;MM149016;CC1=CC(O)(CN)C=C1;PTROXIJEVUUZRK-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149017;MM149017;CC1=CC(O)(CO)C=C1;NZXXFCRHQBWIFQ-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149018;MM149018;CC1=CC(O)(CF)C=C1;JCDHACCKQSZJEB-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149019;MM149019;CCC1(O)C=CC(F)=C1;UTWGNFQXKCOYSH-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149020;MM149020;NCC1(O)C=CC(F)=C1;OHYMBHDLSGFUNE-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149021;MM149021;OCC1(O)C=CC(F)=C1;ULCDFAJMXDRWJU-UHFFFAOYSA-N;130.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149022;MM149022;CCC1(F)C=CC(C)=C1;RLBZBSCYYDRMSQ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149023;MM149023;CC1=CC(F)(CN)C=C1;WKKXDMGTHDZPFV-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149024;MM149024;CC1=CC(F)(CO)C=C1;GEUZVZPDCBMJQC-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149025;MM149025;CCC1(F)C=CC(F)=C1;JIPMODVQPHGSSE-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149026;MM149026;NCC1(F)C=CC(F)=C1;BMCFGIRHXODLBK-UHFFFAOYSA-N;131.13;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149027;MM149027;OCC1(F)C=CC(F)=C1;GALPNJQABQOJDZ-UHFFFAOYSA-N;132.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149028;MM149028;FCC1(F)C=CC(F)=C1;DVMPKZAGPLOXJW-UHFFFAOYSA-N;134.1;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149029;MM149029;CNC1(C)C=CC(C)=C1;QKLJQBFKLFCMKK-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149030;MM149030;CNC1(C)C=CC(F)=C1;WHVANQTUVJMUPY-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149031;MM149031;COC1(C)C=CC(C)=C1;KNLFWCVPZMYVNT-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149032;MM149032;COC1(C)C=CC(F)=C1;RLJXGERXQNWFEQ-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149033;MM149033;C=CC1(C)C=CC(C)=C1;IAIWONOSJDGTIU-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149034;MM149034;CC1=CC(C)(C=O)C=C1;SRLMASNTPSTZML-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149035;MM149035;CC1=CC(C)(C#N)C=C1;IUEOVDRIARMCJG-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149036;MM149036;C=CC1(C)C=CC(F)=C1;RAIADFOQWMRYNJ-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149037;MM149037;CC1(C=O)C=CC(F)=C1;ODVPAOAPUXBYND-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149038;MM149038;CC1(C#N)C=CC(F)=C1;IUNHDTKJTMZNLK-UHFFFAOYSA-N;123.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149039;MM149039;C=CC1(N)C=CC(C)=C1;NBIJLNOAKYERAJ-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149040;MM149040;C=CC1(N)C=CC(F)=C1;YPFMDVYIEQDSPG-UHFFFAOYSA-N;125.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149041;MM149041;C#CCCN(C)C(C)=NO;UWOVFKSSUVGSAF-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149042;MM149042;CC1=CC(O)(C=O)C=C1;JKHLATAGTMVRMR-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149043;MM149043;CC1=CC(O)(C#N)C=C1;YQBCCQPFPISXDN-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149044;MM149044;C=CC1(O)C=CC(F)=C1;DSSMZDNBROHEKO-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149045;MM149045;O=CC1(O)C=CC(F)=C1;LLZYSOVJYRCVNV-UHFFFAOYSA-N;128.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149046;MM149046;N#CC1(O)C=CC(F)=C1;MOFQUPBTGJUBEK-UHFFFAOYSA-N;125.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149047;MM149047;C=CC1(F)C=CC(C)=C1;RGQNQYJJWDZTCN-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149048;MM149048;CC1=CC(F)(C=O)C=C1;VOZKZYRZNCVQJF-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149049;MM149049;CC1=CC(F)(C#N)C=C1;ZCMGDYZVAOPFNH-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149050;MM149050;C=CC1(F)C=CC(F)=C1;CPWZGJRJEZRYDT-UHFFFAOYSA-N;128.12;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149051;MM149051;O=CC1(F)C=CC(F)=C1;WZWKUEGCUBXWER-UHFFFAOYSA-N;130.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149052;MM149052;N#CC1(F)C=CC(F)=C1;XYMSXZOKUOTREF-UHFFFAOYSA-N;127.09;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149053;MM149053;C#CC1(C)C=CC(C)=C1;OPOXYXOMENOQIF-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149054;MM149054;C#CC1(C)C=CC(F)=C1;GPOZYSVEEZDRLA-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149055;MM149055;C#CC1(O)C=CC(C)=C1;WFPGAAHZUXPFLI-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149056;MM149056;C#CC1(O)C=CC(F)=C1;CVFWCDLIBMATJO-UHFFFAOYSA-N;124.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149057;MM149057;C#CC1(F)C=CC(C)=C1;LYJKWXJSZRWPBV-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149058;MM149058;C#CC1(F)C=CC(F)=C1;AKOKCELNXGXUAP-UHFFFAOYSA-N;126.11;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149059;MM149059;CC(C)C(C)C1(C)CC1;BRVNWRKSQMQELU-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149060;MM149060;CC(N)C(C)C1(C)CC1;FGBJTJIFJAQFJG-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149061;MM149061;CC(C)C(N)C1(C)CC1;LDHDAJUNDQQSTP-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149062;MM149062;CC(N)C(N)C1(C)CC1;PUSKFRYIKPFDRW-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149063;MM149063;CC(C)C(C)C1(N)CC1;HIBNURXMSUOGKO-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149064;MM149064;CC(F)C(C)C1(N)CC1;NTHDQJTUHMVIEM-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149065;MM149065;CC(C)C(N)C1(N)CC1;PEOZUAURDXLAJI-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149066;MM149066;CCc1nc(O)n(N)c1C;DBDYEQISXOLTRF-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149067;MM149067;CC(N)C(C)C1(O)CC1;LTLINVPBHOQVRU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149068;MM149068;CC(O)C(C)C1(O)CC1;XBBPRGIKYFXOGC-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149069;MM149069;CC(F)C(C)C1(O)CC1;JQUQTRCJENDULE-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149070;MM149070;CC(C)C(N)C1(O)CC1;QJUKIAIUMVUBLM-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149071;MM149071;CC(N)C(C)C1(F)CC1;MGVMCWYQBUIHQF-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149072;MM149072;CC(N(C)C)C1(C)CC1;BGIAJKOJWWLRKW-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149073;MM149073;CC(C)N(C)C1(C)CC1;AYEQRCMMEIYUFB-UHFFFAOYSA-N;127.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149074;MM149074;CC(N)C(C)C1(C)CN1;JOBZINFONUJWHV-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149075;MM149075;CC(C)C(N)C1(C)CN1;CDYOBHSEZHADSK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149076;MM149076;CC(C)C(C)C1(C)CO1;IWVMIKKPDDEKDV-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149077;MM149077;CC(N)C(C)C1(C)CO1;FQIIYAREXBVUCN-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149078;MM149078;CC(O)C(C)C1(C)CO1;AJVBCGXYWMMPKI-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149079;MM149079;CC(C)C(N)C1(C)CO1;ZGTMUWXKBWKAKV-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149080;MM149080;C=C(C)C(C)C1(C)CC1;WDRKIZWYPSDPOP-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149081;MM149081;CC(=O)C(C)C1(C)CC1;CDPMUTAUVYUFTF-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149082;MM149082;CC(C(=N)N)C1(C)CC1;MLJHFWUDWDWDGZ-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149083;MM149083;NN=CCNC(=NO)NO;QMRUNRSCHULAFP-UHFFFAOYSA-N;147.14;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149084;MM149084;CC(C(=O)O)C1(C)CC1;FSMUDBXDDRIQSD-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149085;MM149085;C=C(F)C(C)C1(C)CC1;WSEAIKXSKPQESJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149086;MM149086;C=C(C)C(N)C1(C)CC1;RGJKWSSWOBPCQG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149087;MM149087;CC1(C(N)C(=N)N)CC1;KCSQVTCXJIBIPG-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149088;MM149088;C=C(C)C(C)C1(N)CC1;VSSTXRSHWJFAFB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149089;MM149089;CC(C(=N)N)C1(N)CC1;GLBNTRSKIUREME-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149090;MM149090;CC(C(N)=O)C1(N)CC1;YXHYQDKMUYTEIT-UHFFFAOYSA-N;128.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149091;MM149091;C=C(F)C(C)C1(N)CC1;MCRVYTSZOVXYMY-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149092;MM149092;N=C(N)C(N)C1(N)CC1;GJXKJQCSFHVCQO-UHFFFAOYSA-N;128.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149093;MM149093;CC=Cc1nc(CO)c[nH]1;DHUVLCUXNVFIQB-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149094;MM149094;CC(=O)C(C)C1(O)CC1;DCHQTFRJLMMNSF-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149095;MM149095;CC(C(=N)N)C1(O)CC1;OAVGGTLOJJTPPK-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149096;MM149096;CC(C(N)=O)C1(O)CC1;MRMYLOOYVVEXBJ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149097;MM149097;ON=CC(F)C=CF;UXYCBCMIWOPVIK-UHFFFAOYSA-N;121.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149098;MM149098;C=C(F)C(C)C1(O)CC1;BYHPPKOPWBBRFG-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149099;MM149099;C=C(C)C(C)C1(F)CC1;NKLCASNEDTVZDS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149100;MM149100;CC(=O)C(C)C1(F)CC1;STHKZYZHLQHNIY-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149101;MM149101;CC(C(=N)N)C1(F)CC1;OUMIGTMIRDQVGA-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149102;MM149102;CC(C(N)=O)C1(F)CC1;ZPNDXLNKGOHIQM-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149103;MM149103;C=C(F)C(C)C1(F)CC1;DLGYAKUJLBEUOP-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149104;MM149104;CC(=N)N(C)C1(C)CC1;PEUGGKUBKGZRAN-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149105;MM149105;CC(=O)N(C)C1(C)CC1;MNZHHKJSTOAFJN-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149106;MM149106;CC(C(=N)N)C1(C)CN1;BKTHOEVKKUSBDD-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149107;MM149107;C=C(C)C(N)C1(C)CN1;STHODUHEDXBMIW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149108;MM149108;C=C(C)C(C)C1(C)CO1;CVXLJZCVXXZDGZ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149109;MM149109;CC(=O)C(C)C1(C)CO1;SVSKKZIMOMPEFO-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149110;MM149110;CC(C(=N)N)C1(C)CO1;PKFWJCNNVXWGQV-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149111;MM149111;CC(C(N)=O)C1(C)CO1;PKLYAQOAPNXWLY-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149112;MM149112;CCCOC(C#N)C=NO;TUQZKTJRYYFATN-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149113;MM149113;C=C(F)C(C)C1(C)CO1;CMIWPZVWHKQQHV-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149114;MM149114;CCC(C)CC1(C)CC1;NLRPCRXNYBJLLJ-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149115;MM149115;CC(CN)CC1(C)CC1;FVLBLAABCLLCJP-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149116;MM149116;Cc1cnc(O)n1N;MXLYAJAKMGLLHN-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149117;MM149117;CC(CF)CC1(C)CC1;BRAOYTSNGVAWQL-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149118;MM149118;CCC(N)CC1(C)CC1;LRMJEBANWCBRGA-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149119;MM149119;CC1(CC(N)CN)CC1;ZZHHBYUIJMMLBM-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149120;MM149120;CC1(CC(N)CO)CC1;SEVOGNLOVAUIPI-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149121;MM149121;CC1(CC(N)CF)CC1;KVBYNGDTDCIJFY-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149122;MM149122;CNNC(=O)NN(C)C;UCTLAWVZVHZSRT-UHFFFAOYSA-N;132.17;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149123;MM149123;CC1(CC(O)CN)CC1;FPEOKFIWEKXJDW-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149124;MM149124;CC1(CC(O)CO)CC1;CHNUUTBUHYQIPF-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149125;MM149125;CCC(F)CC1(C)CC1;AKJAFUABEDRLGM-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149126;MM149126;CC1(CC(F)CN)CC1;FZKRUDREVZJWTM-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149127;MM149127;CC1(CC(F)CO)CC1;QEWFNLUAOMFVND-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149128;MM149128;CC1(CC(F)CF)CC1;WQXRMPMNEOSTLW-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149129;MM149129;CCC(C)CC1(N)CC1;QYJCRMVGIQCPKN-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149130;MM149130;CC(CN)CC1(N)CC1;OLGOSVXWUBTWHR-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149131;MM149131;CC(CO)CC1(N)CC1;GTZCCFCNCXRMTI-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149132;MM149132;CCC(N)CC1(N)CC1;QMCDCIPYJCOVHW-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149133;MM149133;NCC(N)CC1(N)CC1;JQDRPCZSRJCDMV-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149134;MM149134;NC(CO)CC1(N)CC1;ISQQZNGWQCMBNM-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149135;MM149135;NC(CF)CC1(N)CC1;AMJQSXFQZOUOAH-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149136;MM149136;CCC(O)CC1(N)CC1;NIINEUGTVJGTKF-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149137;MM149137;NCC(O)CC1(N)CC1;HYSQRAQVGBRVHE-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149138;MM149138;NC1(CC(O)CO)CC1;ZDEBFULCRJANSI-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149139;MM149139;NC1(CC(O)CF)CC1;CGZAXZDFUJDVHI-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149140;MM149140;CCC(F)CC1(N)CC1;CQKGEPYHKXACES-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149141;MM149141;NCC(F)CC1(N)CC1;KIDGRJBEBXRXQO-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149142;MM149142;NC1(CC(F)CO)CC1;JZRGWGONYRPFQJ-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149143;MM149143;NC1(CC(F)CF)CC1;PZDPFYZUNANQGT-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149144;MM149144;C#CCOC(=O)NNC;XECPRYUOQJJOMI-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149145;MM149145;CC(CN)CC1(O)CC1;ZVBMBAJZWZCZCA-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149146;MM149146;CC(CO)CC1(O)CC1;JXBDQHPSYVDOIW-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149147;MM149147;CCC(N)CC1(O)CC1;IQXAKFDJXLHJLV-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149148;MM149148;NCC(N)CC1(O)CC1;IWAXXBJEBPVLAN-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149149;MM149149;NC(CO)CC1(O)CC1;YWQYWWWKYMZZBJ-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149150;MM149150;NC(CF)CC1(O)CC1;DWDQUAMCBUXEPE-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149151;MM149151;CCC(O)CC1(O)CC1;WOMNMOQPUXSCJR-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149152;MM149152;NCC(O)CC1(O)CC1;DYVJUTWVVAGYGR-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149153;MM149153;OCC(O)CC1(O)CC1;QWECRIALMWDOMK-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149154;MM149154;OC(CF)CC1(O)CC1;IABBOWGRMLUQCV-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149155;MM149155;CCC(F)CC1(O)CC1;PGOOCHMWJNUPQC-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149156;MM149156;NCC(F)CC1(O)CC1;LDVZQGSDRJDKNN-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149157;MM149157;OCC(F)CC1(O)CC1;LRHHBZDXWNJWEV-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149158;MM149158;CCC(C)CC1(F)CC1;QKYOOQILMMUFFH-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149159;MM149159;CC(CN)CC1(F)CC1;MEUISQOQVIKFCK-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149160;MM149160;CC(CO)CC1(F)CC1;SZUGQQVGHPEMNC-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149161;MM149161;CC(CF)CC1(F)CC1;OZHNPHYGMMULJE-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149162;MM149162;CCC(N)CC1(F)CC1;GWQUMWLSBVJQNU-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149163;MM149163;NCC(N)CC1(F)CC1;QMGHGBLTEZYMRG-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149164;MM149164;NC(CO)CC1(F)CC1;ZEPQFKGAXLHHDW-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149165;MM149165;NC(CF)CC1(F)CC1;SEQNJPXMHQLIBP-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149166;MM149166;CCC(O)CC1(F)CC1;AUIMNPDVSSCREJ-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149167;MM149167;NCC(O)CC1(F)CC1;QYGWAFGHNPPJKM-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149168;MM149168;OCC(O)CC1(F)CC1;VTWNCFFTXURPMZ-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149169;MM149169;CCC(F)CC1(F)CC1;RPKUNVSPHBXSAG-UHFFFAOYSA-N;134.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149170;MM149170;NCC(F)CC1(F)CC1;WXFBELJPPCBVGZ-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149171;MM149171;OCC(F)CC1(F)CC1;RAYNAWVSZSOSAZ-UHFFFAOYSA-N;136.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149172;MM149172;CNC(C)CC1(C)CC1;FEURTWITOLASIQ-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149173;MM149173;CNC(C)CC1(N)CC1;OMYXTLALPIZPOX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149174;MM149174;CNC(C)CC1(O)CC1;CEZJTDPPNDZGRZ-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149175;MM149175;CNC(C)CC1(F)CC1;JTQMNZXSXCAWIA-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149176;MM149176;COC(C)CC1(C)CC1;KJODQILASMETHG-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149177;MM149177;COC(C)CC1(N)CC1;KJSIKWWGIGZNPB-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149178;MM149178;COC(C)CC1(O)CC1;PCLSUQJNPZQRHA-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149179;MM149179;COC(C)CC1(F)CC1;ZAUAZXMFSQRXHJ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149180;MM149180;CCC(C)NC1(C)CC1;ZGVGUYCDGDYJCW-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149181;MM149181;CC(CN)NC1(C)CC1;ZENBVVBXIJYASE-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149182;MM149182;CC(CF)NC1(C)CC1;ALIOFJCVUJKTKF-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149183;MM149183;CCC(C)OC1(C)CC1;CAJYRTNJAXGVIF-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149184;MM149184;CC(CN)OC1(C)CC1;FCRCGEPWFWJCEZ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149185;MM149185;CC(CO)OC1(C)CC1;XBYSIMSKVFFXPD-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149186;MM149186;CC(CF)OC1(C)CC1;QDGSNZGBOHTYTM-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149187;MM149187;COC(C)OC1(C)CC1;ILCHQBUUJJQLKM-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149188;MM149188;CCN(C)CC1(C)CC1;XVGLLYDTUQVWEW-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149189;MM149189;CCN(C)CC1(N)CC1;XADKLMIFYAXZCF-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149190;MM149190;CCN(C)CC1(O)CC1;KSNYKVFTWYPMFK-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149191;MM149191;CC(CN)CC1(C)CN1;XMBCOIHYWVBNML-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149192;MM149192;CCC(N)CC1(C)CN1;VCTOKSRTGFYSMH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149193;MM149193;CC1(CC(N)CN)CN1;AKPVSWSEEPTHID-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149194;MM149194;CC1(CC(N)CO)CN1;KFGGZKNFWVIEJV-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149195;MM149195;CC1(CC(O)CN)CN1;WLTHCYFVDYZVKS-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149196;MM149196;CC1(CC(F)CN)CN1;DNYCRWUJOYFSBJ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149197;MM149197;CNC(C)CC1(C)CN1;COEHILICRHJCOS-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149198;MM149198;CCN(C)CC1(C)CN1;VPPUQBXHPKYHCH-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149199;MM149199;CCC(C)CC1(C)CO1;IWSVRFLHHAYIEP-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149200;MM149200;CC(CN)CC1(C)CO1;HCOKGKRZXILIGF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149201;MM149201;CC(CO)CC1(C)CO1;IITMPTYUDVCVHL-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149202;MM149202;CCC(N)CC1(C)CO1;KUERYPPFAONHEU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149203;MM149203;CC1(CC(N)CN)CO1;LANKJMMZQZOVRT-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149204;MM149204;CC1(CC(N)CO)CO1;VANHZKQXMBFSRA-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149205;MM149205;CC1(CC(N)CF)CO1;QUKPHTQRSQHNHX-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149206;MM149206;CCC(O)CC1(C)CO1;ZTFBRCXFEUKEFU-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149207;MM149207;CC1(CC(O)CN)CO1;QCOQRJJNVISTJV-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149208;MM149208;CC1(CC(O)CO)CO1;KLSZJYZZYFIYGY-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149209;MM149209;CC1(CC(O)CF)CO1;LRWIHQIZVNAMOU-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149210;MM149210;CCC(F)CC1(C)CO1;ZJZDDERYVHSFQB-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149211;MM149211;CC1(CC(F)CN)CO1;LVASVPDNQJUOQT-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149212;MM149212;CC1(CC(F)CF)CO1;OPXRKOLLOHBCIC-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149213;MM149213;CNC(C)CC1(C)CO1;VPRMXPLJIWBDJY-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149214;MM149214;COC(C)CC1(C)CO1;KOUGZVXQKWQCRJ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149215;MM149215;CCN(C)CC1(C)CO1;ZLXVPRMIUOHNMJ-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149216;MM149216;C=CC(C)CC1(C)CC1;COGHZFGEVMJTAX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149217;MM149217;CC(C=O)CC1(C)CC1;VAFFPMLFYROQTD-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149218;MM149218;CC(C#N)CC1(C)CC1;JAHXZMRFDAGUNT-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149219;MM149219;C=CC(N)CC1(C)CC1;ZAXIDSJMRQWRJV-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149220;MM149220;NNC(=O)COCCO;OZBGRUGMCCCOPU-UHFFFAOYSA-N;134.14;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149221;MM149221;CC1(CC(O)C=O)CC1;YOVLPYOHXCMWTB-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149222;MM149222;CC1(CC(O)C#N)CC1;PVGIIUVUFHLOJQ-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149223;MM149223;C=CC(F)CC1(C)CC1;QEEWQKFHPPMASN-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149224;MM149224;CC1(CC(F)C=O)CC1;NISTVSWVBIGDAP-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149225;MM149225;CC1(CC(F)C#N)CC1;SXTHOPPMJPOEJN-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149226;MM149226;C=CC(C)CC1(N)CC1;PJRJTFYXNQBMOC-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149227;MM149227;C=CC(N)CC1(N)CC1;DPOJHYHMRWCHTC-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149228;MM149228;C=CC(O)CC1(N)CC1;XLHCDYPRRFSMSF-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149229;MM149229;C=CC(F)CC1(N)CC1;KTMRTGKNUGARKM-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149230;MM149230;Cc1nc(O)n(N)c1C;DESUBKSHBQLOQC-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149231;MM149231;CC(C=O)CC1(O)CC1;JMAFJQKHLDZQFX-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149232;MM149232;CC(C#N)CC1(O)CC1;RQKVLLLIONHYOO-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149233;MM149233;C=CC(N)CC1(O)CC1;PASVIWALJBKJLL-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149234;MM149234;C=CC(O)CC1(O)CC1;RGLRLAAGMBJCSV-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149235;MM149235;O=CC(O)CC1(O)CC1;FTOWNEFYVIZCDW-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149236;MM149236;N#CC(O)CC1(O)CC1;FHPRLSWFVWSDLG-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149237;MM149237;C=CC(F)CC1(O)CC1;IDRDRNQBPVIKIJ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149238;MM149238;O=CC(F)CC1(O)CC1;QAILWLKENSFHQE-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149239;MM149239;N#CC(F)CC1(O)CC1;BDTWJDDFJKPXMO-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149240;MM149240;C=CC(C)CC1(F)CC1;UJQGAPRWRFEULE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149241;MM149241;CC(C=O)CC1(F)CC1;BMXTZPUOMKOPTN-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149242;MM149242;CC(C#N)CC1(F)CC1;XHDSKZCEWPAINS-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149243;MM149243;C=CC(N)CC1(F)CC1;ZPRSGUQSBJVKRE-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149244;MM149244;C=CC(O)CC1(F)CC1;GUSWSFCHGPXUKR-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149245;MM149245;O=CC(O)CC1(F)CC1;HPJOIZQYBVULSR-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149246;MM149246;N#CC(O)CC1(F)CC1;YLMLXXKTOVWFKK-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149247;MM149247;C=CC(F)CC1(F)CC1;QSNJVBHAIQQSOP-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149248;MM149248;O=CC(F)CC1(F)CC1;DWUMJUQXZMUWGA-UHFFFAOYSA-N;134.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149249;MM149249;N#CC(F)CC1(F)CC1;GJHKBHWXUYFZHC-UHFFFAOYSA-N;131.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149250;MM149250;C=CC(C)NC1(C)CC1;AKVDNYOEBFYDOY-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149251;MM149251;CC(C=O)NC1(C)CC1;HUTZEOOEQKPBIK-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149252;MM149252;CC(C#N)NC1(C)CC1;HURCZIKVRBTIMN-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149253;MM149253;C=CC(C)OC1(C)CC1;MLEMJWJKVMIDOF-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149254;MM149254;CC(C=O)OC1(C)CC1;VKEOPBOGMWCSTL-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149255;MM149255;CC(C#N)OC1(C)CC1;ZSESYCIENNLGOU-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149256;MM149256;CN(C=N)CC1(C)CC1;PVQHYSLNXJITAO-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149257;MM149257;CN(C=O)CC1(C)CC1;PGSZAFWPNJTOFE-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149258;MM149258;CC1(CN(N)C=N)CC1;LAUMZCBPOMGTOZ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149259;MM149259;CC1(CN(N)C=O)CC1;MCSMZOCJVAARHN-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149260;MM149260;CC1(CN(O)C=N)CC1;PMEGMCPETNMONG-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149261;MM149261;CC1(CN(O)C=O)CC1;DPEHSUODDORGII-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149262;MM149262;CN(C=N)CC1(N)CC1;QROIXMVSESZITR-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149263;MM149263;CN(C=O)CC1(N)CC1;BJEMCNHRLJAKHG-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149264;MM149264;CN(C=N)CC1(O)CC1;DLZZMHQFVSEULQ-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149265;MM149265;CN(C=O)CC1(O)CC1;AZKWAEMJPNLURP-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149266;MM149266;N=CN(N)CC1(O)CC1;NXEPCOIUOMVSCX-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149267;MM149267;CNC(=O)NNCC(N)=O;IOWUBMXYAZXCJY-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149268;MM149268;CN(C=N)CC1(F)CC1;KTZXJCIJWURXDB-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149269;MM149269;CN(C=O)CC1(F)CC1;NMKYUONXNNMGJD-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149270;MM149270;N=CN(N)CC1(F)CC1;WZMCGKPGBCJTJI-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149271;MM149271;NN(C=O)CC1(F)CC1;GJPUIKGDKQPZQV-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149272;MM149272;C=NN(C)CC1(C)CC1;HFSOOWZGYDNTPI-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149273;MM149273;C=NN(C)CC1(N)CC1;YDPRQGBLRLDKFG-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149274;MM149274;CC=CC1CN(C=NO)C1;SVPDFKFNTSMMON-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149275;MM149275;C=NN(C)CC1(F)CC1;RHSUEKOYSFMPMP-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149276;MM149276;CN(C=N)NC1(C)CC1;IQEFKTJWEOQEKW-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149277;MM149277;CN(C=O)NC1(C)CC1;VHMRPHAJGDAKCN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149278;MM149278;CN(C=N)OC1(C)CC1;QQIYBACVTNRWDK-UHFFFAOYSA-N;128.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149279;MM149279;CN(C=O)OC1(C)CC1;BVBVXBOAHVOBKN-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149280;MM149280;C=CC(N)CC1(C)CN1;BZINYVHQYVRWPU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149281;MM149281;CN(C=N)CC1(C)CN1;NRWYZOABUUSXKX-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149282;MM149282;CC1(CN(N)C=N)CN1;OLGHEAHVXHNJSR-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149283;MM149283;C=CC(C)CC1(C)CO1;AQNWYRDZAMECPH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149284;MM149284;CC(C=O)CC1(C)CO1;XUONXHZPKWYKDE-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149285;MM149285;CC(C#N)CC1(C)CO1;PGHWVVYJMDOOSK-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149286;MM149286;C=CC(N)CC1(C)CO1;WAXZLLVCMYGKSU-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149287;MM149287;C=CC(O)CC1(C)CO1;MBGBANZKERLUFA-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149288;MM149288;CC1(CC(O)C=O)CO1;BCOIVCRNIIZNPM-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149289;MM149289;CC1(CC(O)C#N)CO1;VCVNGDAXNXWBBF-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149290;MM149290;C=CC(F)CC1(C)CO1;PVBXXGRZGMPJDK-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149291;MM149291;CC1(CC(F)C=O)CO1;MBEVUPQFTQFESJ-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149292;MM149292;CC1(CC(F)C#N)CO1;JRNUNPVHDRGUPF-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149293;MM149293;CN(C=N)CC1(C)CO1;SZQNWALKHZGWNU-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149294;MM149294;CN(C=O)CC1(C)CO1;LWPAEVCOCHALFY-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149295;MM149295;CC1(CN(N)C=N)CO1;XABWKJZKPRQGLC-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149296;MM149296;CC1(CN(N)C=O)CO1;BUFLRHDCUMVTIY-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149297;MM149297;C=NN(C)CC1(C)CO1;ATEORFCBYWWVOS-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149298;MM149298;C#CC(C)CC1(C)CC1;IBVWSPCHGUWQSL-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149299;MM149299;C#CC(N)CC1(C)CC1;JZWBZHDGOSOPNI-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149300;MM149300;C#CC(O)CC1(C)CC1;PHGCCMJOOAPJCZ-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149301;MM149301;C#CC(F)CC1(C)CC1;OTEDHLFKFLGNQH-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149302;MM149302;C#CC(C)CC1(N)CC1;VMESPHQYLHYGET-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149303;MM149303;C#CC(N)CC1(N)CC1;PGVAODFARFANQF-UHFFFAOYSA-N;124.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149304;MM149304;C#CC(O)CC1(N)CC1;SGWAJKIFQGNNIV-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149305;MM149305;C#CC(F)CC1(N)CC1;OTDMPEQEJRBMBQ-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149306;MM149306;C#CC(C)OCC(=O)NN;NWRLCTWPSKNNAK-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149307;MM149307;C#CC(N)CC1(O)CC1;MVKWKOQXSAHGFE-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149308;MM149308;C#CC(O)CC1(O)CC1;SPNHRMAYZBGKSA-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149309;MM149309;C#CC(F)CC1(O)CC1;UDTMVKABCWOIBF-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149310;MM149310;C#CC(C)CC1(F)CC1;VEMUZKWXUGFDCQ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149311;MM149311;C#CC(N)CC1(F)CC1;UHUHJVMYZZSHFY-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149312;MM149312;C#CC(O)CC1(F)CC1;JOJCZNKDVYHRNJ-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149313;MM149313;C#CC(F)CC1(F)CC1;QVDDBUBRUFTWEK-UHFFFAOYSA-N;130.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149314;MM149314;C#CC(C)NC1(C)CC1;ODMXAYVGAXEAMG-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149315;MM149315;C#CC(C)OC1(C)CC1;PHSYGWHPFZUNLE-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149316;MM149316;C#CC(N)CC1(C)CN1;IPSFNVZTUAXBDB-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149317;MM149317;C#CC(C)CC1(C)CO1;UUIDIMMQXBSTCF-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149318;MM149318;C#CC(N)CC1(C)CO1;IOVYDHDECBZJPE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149319;MM149319;C#CC(O)CC1(C)CO1;LICTVMNTHRSQAN-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149320;MM149320;C#CC(F)CC1(C)CO1;DIFYOTAKUNAUKK-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149321;MM149321;C=C(CC)CC1(C)CC1;OZPNQNFMPYPJRV-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149322;MM149322;C=C(CN)CC1(C)CC1;MQSRPXIXEBGCHB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149323;MM149323;C=C(CO)CC1(C)CC1;QTEHQCKGHORSBI-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149324;MM149324;C=C(CF)CC1(C)CC1;PXECRFUUOAYBFQ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149325;MM149325;CCC(=O)CC1(C)CC1;KJQLDBNGJFWSNM-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149326;MM149326;CC1(CC(=O)CO)CC1;ASCDARVUNKQHIX-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149327;MM149327;CC1(CC(=O)CF)CC1;FMMBLPHHOFOZRD-UHFFFAOYSA-N;130.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149328;MM149328;C=C(CC)CC1(N)CC1;QQHYZKIDBSCFJY-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149329;MM149329;C=C(CN)CC1(N)CC1;HHKAGEBLYVEFPT-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149330;MM149330;C=C(CO)CC1(N)CC1;QMDSTLZVJWGISA-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149331;MM149331;C=C(CF)CC1(N)CC1;XIHBYNQQOUKOQU-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149332;MM149332;C#CC(=O)NNC(=N)C=O;SROGTAONHKCVAB-UHFFFAOYSA-N;139.11;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149333;MM149333;C=C(CN)CC1(O)CC1;MOTZMORDCKVOID-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149334;MM149334;C=C(CO)CC1(O)CC1;OCICURHURCJRBM-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149335;MM149335;C=C(CF)CC1(O)CC1;MFQRWJWVPISNSU-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149336;MM149336;CCC(=O)CC1(O)CC1;KAOFDPOCMUOXQT-UHFFFAOYSA-N;128.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149337;MM149337;O=C(CO)CC1(O)CC1;PVMQHXCHJIHBNK-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149338;MM149338;O=C(CF)CC1(O)CC1;RVJCDSGQXKZWKO-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149339;MM149339;C=C(CC)CC1(F)CC1;XOJLMNVRHSLVMM-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149340;MM149340;C=C(CN)CC1(F)CC1;KBRNDRRRSTZOCI-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149341;MM149341;C=C(CO)CC1(F)CC1;BZOOGUZAEWMSRH-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149342;MM149342;C=C(CF)CC1(F)CC1;BSEMLIVGKUZQIU-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149343;MM149343;CCC(=O)CC1(F)CC1;VFYRHTHKIGVCSW-UHFFFAOYSA-N;130.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149344;MM149344;O=C(CO)CC1(F)CC1;JRHHZZVMFROLRW-UHFFFAOYSA-N;132.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149345;MM149345;O=C(CF)CC1(F)CC1;PUEFZPXPQRUMFG-UHFFFAOYSA-N;134.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149346;MM149346;CNC(=N)CC1(C)CC1;NVJBUPWCYLYBGT-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149347;MM149347;CC1(CC(=N)NN)CC1;GXXJUYOBZKPBDY-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149348;MM149348;CC1(CC(=N)NO)CC1;CSHQXMSYAWNQGT-UHFFFAOYSA-N;128.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149349;MM149349;CCC1(F)CC1C(=O)NN;XEAGVRXTZKMHGD-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149350;MM149350;NC(=O)NNC(CO)CO;OJVARXCZUMRLLN-UHFFFAOYSA-N;149.15;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149351;MM149351;CC1(CC(=O)NO)CC1;LWKMMNRLPLZORN-UHFFFAOYSA-N;129.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149352;MM149352;CNC(=N)CC1(N)CC1;YFNMWYGWKZKZHE-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149353;MM149353;N=C(CC1(N)CC1)NO;ZFOSSAOLCFPHOI-UHFFFAOYSA-N;129.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149354;MM149354;CNC(=O)CC1(N)CC1;JMTVVBMRBXGLRH-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149355;MM149355;NC1(CC(=O)NO)CC1;OAIHAIFRRYBLLT-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149356;MM149356;CNC(=N)CC1(O)CC1;XLBQXJGOBYIRGF-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149357;MM149357;N=C(CC1(O)CC1)NN;PMHHOLJULUNLSW-UHFFFAOYSA-N;129.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149358;MM149358;N=C(CC1(O)CC1)NO;WJKZMCQNDKRFAF-UHFFFAOYSA-N;130.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149359;MM149359;CNC(=O)CC1(O)CC1;YDVPQJIPZGFTAL-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149360;MM149360;C=C(CO)N(N)C(=O)NN;LZGDFCABLQWANP-UHFFFAOYSA-N;146.15;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149361;MM149361;O=C(CC1(O)CC1)NO;KJTVJTUYFPAWGU-UHFFFAOYSA-N;131.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149362;MM149362;CNC(=N)CC1(F)CC1;ODUYSQJLKBSQDK-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149363;MM149363;N=C(CC1(F)CC1)NN;XHWNQHFZLOYNIT-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149364;MM149364;N=C(CC1(F)CC1)NO;WVBMWKIGISWZFG-UHFFFAOYSA-N;132.14;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149365;MM149365;CNC(=O)CC1(F)CC1;PLPMUKRMHAGKQB-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149366;MM149366;CC=C(C)C(O)C(=O)NN;ZCMXTKVJZARPCO-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149367;MM149367;O=C(CC1(F)CC1)NO;NEIZNQSDUOIMMP-UHFFFAOYSA-N;133.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149368;MM149368;C=C(CC1(C)CC1)OC;KFRHJIVFBSYPSP-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149369;MM149369;COC(=O)CC1(C)CC1;LEWAQEZLIHKFJR-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149370;MM149370;C=C(CC1(N)CC1)OC;LSDULQYEYCSOGQ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149371;MM149371;COC(=O)CC1(N)CC1;ULMBPGYSCZOWNE-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149372;MM149372;C=C(CC1(O)CC1)OC;FWSMVMJAKQQDOM-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149373;MM149373;COC(=O)CC1(O)CC1;YVFOYCILLGYONT-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149374;MM149374;C=C(CC1(F)CC1)OC;CVUPHBJZDNWXLW-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149375;MM149375;COC(=O)CC1(F)CC1;CEHJQGGEHSASCV-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149376;MM149376;CCC(=N)NC1(C)CC1;ZHTYHFBMGAGBHA-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149377;MM149377;CC1(NC(=N)CN)CC1;CYNPLXJQLUZUFO-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149378;MM149378;CC1(NC(=N)CO)CC1;LKIGATIIIGFAJA-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149379;MM149379;CCC(=O)NC1(C)CC1;LSQPMFFMJLBHTB-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149380;MM149380;CC1(NC(=O)CO)CC1;SIRPFWTVRGZPQL-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149381;MM149381;CC1(NC(=O)CF)CC1;UTFLZVNKEOIWLY-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149382;MM149382;CNC(=N)NC1(C)CC1;RKBGUQRDVHVZFP-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149383;MM149383;CC1(NC(=N)NN)CC1;GPYBWPGKQSVODL-UHFFFAOYSA-N;128.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149384;MM149384;CC1(NC(=N)NO)CC1;HFAOFFMGUYGDHZ-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149385;MM149385;CNC(=O)NC1(C)CC1;INFLXRPYZWHNHN-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149386;MM149386;C=CCON=CC(=O)NN;JFBPDVCPYPHBSZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149387;MM149387;CC1(NC(=O)NO)CC1;KMVCNWRGFYJKPB-UHFFFAOYSA-N;130.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149388;MM149388;COC(=N)NC1(C)CC1;MGIIVMWHNUQQPK-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149389;MM149389;COC(=O)NC1(C)CC1;DYXBHOGMPNGNAE-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149390;MM149390;C=C(CC)OC1(C)CC1;NAVPCLCVHWTCNJ-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149391;MM149391;C=C(CN)OC1(C)CC1;WMOVOROHUFMAAJ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149392;MM149392;C=C(CO)OC1(C)CC1;GTGYGKOEIBZZES-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149393;MM149393;C=C(CF)OC1(C)CC1;LFKLOGWRWNGYCE-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149394;MM149394;CCC(=O)OC1(C)CC1;ACYKQUSAYWKIGS-UHFFFAOYSA-N;128.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149395;MM149395;CC1(OC(=O)CO)CC1;YVAAFDFPMNTXRB-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149396;MM149396;CC1(OC(=O)CF)CC1;SMCXURABELBDGU-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149397;MM149397;CNC(=N)OC1(C)CC1;WNCCHAMXNPXTNY-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149398;MM149398;CNC(=O)OC1(C)CC1;DPMADZDLUPBHPT-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149399;MM149399;CNC(C#N)CNNC=O;UAFZJKYDKAMDLY-UHFFFAOYSA-N;142.16;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149400;MM149400;CC1(OC(=O)NO)CC1;LWHZSMGPIURQGM-UHFFFAOYSA-N;131.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149401;MM149401;COC(=O)OC1(C)CC1;WHVXBFCOYUREPH-UHFFFAOYSA-N;130.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149402;MM149402;C=C(CN)CC1(C)CN1;MXGZMRSIROLFJP-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149403;MM149403;CNC(=N)CC1(C)CN1;FXZPIRLBUNXPAL-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149404;MM149404;CC1(CC(=N)NN)CN1;RLRSBXKIQRFRDT-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149405;MM149405;CC1(CC(=N)NO)CN1;FBYXDJDTLXHENL-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149406;MM149406;C=C(CC)CC1(C)CO1;BYJAKQCHGPQODN-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149407;MM149407;C=C(CN)CC1(C)CO1;LBBGRYSEWYWDAF-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149408;MM149408;C=C(CO)CC1(C)CO1;IGWZVAPQFXXPCX-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149409;MM149409;C=C(CF)CC1(C)CO1;MHUCKNHNHXXRON-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149410;MM149410;CCC(=O)CC1(C)CO1;WROZTJSXHIBIEO-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149411;MM149411;CC1(CC(=O)CO)CO1;KRDGGGPQCUOCIY-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149412;MM149412;CC1(CC(=O)CF)CO1;DPHRXFXQXKQEFR-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149413;MM149413;CNC(=N)CC1(C)CO1;YJYWMAIGIZIWJG-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149414;MM149414;CC1(CC(=N)NN)CO1;ILKDHXYNPJOQCM-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149415;MM149415;CC1(CC(=N)NO)CO1;PMKJFRUEZBIWOX-UHFFFAOYSA-N;130.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149416;MM149416;CNC(=O)CC1(C)CO1;PKUAJUHVNFMXKQ-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149417;MM149417;C=CC(=NN)C(=O)NNC;REVFJTPWCQGOTM-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149418;MM149418;CC1(CC(=O)NO)CO1;XXWVKNLQNRUEQR-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149419;MM149419;C=C(CC1(C)CO1)OC;CBMLEUMICSQBOX-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149420;MM149420;COC(=O)CC1(C)CO1;QPKVWLYBZRSTKW-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149421;MM149421;C=CC(=C)CC1(C)CC1;OKAILIMVLCCQJE-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149422;MM149422;C=C(C=O)CC1(C)CC1;SQAUCLUXFNNSBV-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149423;MM149423;C=C(C#N)CC1(C)CC1;QSNSIWLPSINWNK-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149424;MM149424;C=CC(=O)CC1(C)CC1;ZFAGPSFICMFOPK-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149425;MM149425;CC1(CC(=O)C=O)CC1;FUWMQOFIWXCZSU-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149426;MM149426;CC1(CC(=O)C#N)CC1;UGLUFWPDOLSDKD-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149427;MM149427;C=CC(=C)CC1(N)CC1;CTXKIPXUHAMBHZ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149428;MM149428;CC1C(C(=O)CC#N)N1C;CJZYRYYNNTUCJB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149429;MM149429;C=C(C=O)CC1(O)CC1;YSKBMWCLNVPDLV-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149430;MM149430;C=C(C#N)CC1(O)CC1;MUSAUVPNDHUPPM-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149431;MM149431;C=CC(=O)CC1(O)CC1;UVYRVPTXZWFRIY-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149432;MM149432;O=CC(=O)CC1(O)CC1;BCEIWOCWCJIGIW-UHFFFAOYSA-N;128.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149433;MM149433;N#CC(=O)CC1(O)CC1;ZNLQVYKOEGURCT-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149434;MM149434;C=CC(=C)CC1(F)CC1;UUFFZVNNUDGQKC-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149435;MM149435;C=C(C=O)CC1(F)CC1;BPWRRSYNZXXQKW-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149436;MM149436;C=C(C#N)CC1(F)CC1;UDZHQLVRTOYDOT-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149437;MM149437;C=CC(=O)CC1(F)CC1;YANWLFGXXGCIEP-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149438;MM149438;O=CC(=O)CC1(F)CC1;UXTVCNFTCPMYEH-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149439;MM149439;N#CC(=O)CC1(F)CC1;QZHGMAZANAEJSU-UHFFFAOYSA-N;127.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149440;MM149440;C=CC(=N)NC1(C)CC1;JXPPZEQFEZGVPG-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149441;MM149441;CC1(N=C(N)C=O)CC1;JEHSUXSZJSIBNR-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149442;MM149442;CC1(NC(=N)C#N)CC1;MKJGKKLQGGCOIG-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149443;MM149443;NN=CC(=O)NN;JCPFDYKUUIFDJN-UHFFFAOYSA-N;102.1;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149444;MM149444;CC1(NC(=O)C=O)CC1;OBWXGMGRWVRPTG-UHFFFAOYSA-N;127.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149445;MM149445;CC1(NC(=O)C#N)CC1;AMTQOSKELCJFME-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149446;MM149446;C=CC(=C)OC1(C)CC1;WTANDVHPUYTNTH-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149447;MM149447;C=C(C=O)OC1(C)CC1;GEQSVBUJWSPNGY-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149448;MM149448;C=C(C#N)OC1(C)CC1;YJBVHRSPGKJZPR-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149449;MM149449;C=CC(=O)OC1(C)CC1;IQJACVALSYLOFE-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149450;MM149450;CC1(OC(=O)C=O)CC1;APDCRMBZWTUXTI-UHFFFAOYSA-N;128.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149451;MM149451;CC1(OC(=O)C#N)CC1;SHGLRLRACMZMQX-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149452;MM149452;CC(F)CC(=O)NN;HFRNYBYQAGXMDO-UHFFFAOYSA-N;120.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149453;MM149453;C=CC(=C)CC1(C)CO1;TWVFVKOWLODEKY-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149454;MM149454;C=C(C=O)CC1(C)CO1;JPYBLQLLUGXODW-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149455;MM149455;C=C(C#N)CC1(C)CO1;NMVDVCYBCMKBDP-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149456;MM149456;C=CC(=O)CC1(C)CO1;WCKIBJUCGKOWNL-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149457;MM149457;CC1(CC(=O)C=O)CO1;CXRYVGZXSSBMBB-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149458;MM149458;CC1(CC(=O)C#N)CO1;RUIHPKQAMZYPDY-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149459;MM149459;C#CC(=C)CC1(C)CC1;LKMRIANPWKCJBZ-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149460;MM149460;C#CC(=O)CC1(C)CC1;CPFONHWPAOVRCT-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149461;MM149461;C#CC(=C)CC1(N)CC1;HLNKJTBTMPMYIN-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149462;MM149462;NN=CC(O)(CO)CO;BTSXGRBGEOQSLH-UHFFFAOYSA-N;134.14;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149463;MM149463;C#CC(=O)CC1(O)CC1;IBEUHVYFCTWEEE-UHFFFAOYSA-N;124.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149464;MM149464;C#CC(=C)CC1(F)CC1;CPHFZEDQNLTJAS-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149465;MM149465;C#CC(=O)CC1(F)CC1;WKLYULVDFJUOKX-UHFFFAOYSA-N;126.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149466;MM149466;C#CC(=N)NC1(C)CC1;XFGPDULRARQYPE-UHFFFAOYSA-N;122.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149467;MM149467;C#CC(=O)NC1(C)CC1;WHLJUXHLBPANPD-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149468;MM149468;C#CC(=C)OC1(C)CC1;JQRCEJXHTQWXNS-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149469;MM149469;C#CC(=O)OC1(C)CC1;LQXHGBLEDYKXHG-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149470;MM149470;C#CC(=C)CC1(C)CO1;TVWAFRAIRUSDMW-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149471;MM149471;C#CC(=O)CC1(C)CO1;HKUWJOVTZGNFTK-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149472;MM149472;CC(C)CCC1(C)CC1;DTAFQXSBYVIKIJ-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149473;MM149473;CC(N)CCC1(C)CC1;CCBKEXSRYMWBOG-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149474;MM149474;NN=CC1=CC(F)=CC1;XPOTUMDRADYMAT-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149475;MM149475;CC(F)CCC1(C)CC1;ADOSBIKMXOTPPH-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149476;MM149476;CC(C)CCC1(N)CC1;JWVIUTIUBUVONN-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149477;MM149477;CC(O)CCC1(N)CC1;AFIBLOCORFKSKE-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149478;MM149478;CC(F)CCC1(N)CC1;XYRPSBGUNZSNNE-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149479;MM149479;NC1(CCC(F)F)CC1;ZOHKTNRPKZKUCJ-UHFFFAOYSA-N;135.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149480;MM149480;C=C(F)C=CNC(=O)NN;GPNFWADDLVAKLS-UHFFFAOYSA-N;145.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149481;MM149481;CC(N)CCC1(O)CC1;KVUCGZSGMSOUHJ-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149482;MM149482;CC(O)CCC1(O)CC1;IGFXQHJUVQKMQK-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149483;MM149483;CC(F)CCC1(O)CC1;HGXXOWBZEOLREE-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149484;MM149484;CC(C)CCC1(F)CC1;WSGZPJISWZFXIW-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149485;MM149485;CC(N)CCC1(F)CC1;YXWOOEVGNMFTHS-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149486;MM149486;CC(O)CCC1(F)CC1;YKEUBFMLCZYQHK-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149487;MM149487;CC(F)CCC1(F)CC1;ZKTMTLRSSDPURF-UHFFFAOYSA-N;134.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149488;MM149488;FC(F)CCC1(F)CC1;PCHCOCGZDBSNMM-UHFFFAOYSA-N;138.13;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149489;MM149489;CC(C)NCC1(C)CC1;NMPLAEOSYGJQSX-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149490;MM149490;CC(C)NCC1(N)CC1;ZKTHBMOYGCWFPJ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149491;MM149491;CC(C)NCC1(O)CC1;MKMFCWHGRZJGSL-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149492;MM149492;CC(C)NCC1(F)CC1;JTZRCNWNZUXECK-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149493;MM149493;CC(C)OCC1(C)CC1;ORPFICFPEJLZLU-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149494;MM149494;CC(C)OCC1(N)CC1;KXMIUCQCONEOTB-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149495;MM149495;CC(C)OCC1(O)CC1;IGPGUBNQSXSWSA-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149496;MM149496;CC(C)OCC1(F)CC1;VGSVUWMRCFXTCQ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149497;MM149497;CC(C)CNC1(C)CC1;BOZRENAAZVLKRC-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149498;MM149498;CC(N)CNC1(C)CC1;WHIZEXTXJJOGJY-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149499;MM149499;CC(O)CNC1(C)CC1;JFXAINWZLPBCHN-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149500;MM149500;CC(F)CNC1(C)CC1;AVDDFEUBMGXQFK-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149501;MM149501;CC(C)COC1(C)CC1;KDYNJVLYPJQBKU-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149502;MM149502;CC(N)COC1(C)CC1;PAQSXFWNHYLUNG-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149503;MM149503;CC(O)COC1(C)CC1;SRNWREZEBCNHNW-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149504;MM149504;CC(F)COC1(C)CC1;IDRAXSFWQLNQOJ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149505;MM149505;CN(C)CCC1(C)CC1;YRUKHDDTQDHUFG-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149506;MM149506;CN(C)CCC1(N)CC1;DPSHPOMNJARTJZ-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149507;MM149507;CN(C)CCC1(O)CC1;VRDYLEBYBMLENE-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149508;MM149508;CN(C)CCC1(F)CC1;UWOKENRKXJAZTJ-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149509;MM149509;CC(N)CCC1(C)CN1;JJQLIORCCPHYCM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149510;MM149510;CC(C)NCC1(C)CN1;JXFOGNABLSQBMI-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149511;MM149511;CN(C)CCC1(C)CN1;DCVRZARXMFCJBW-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149512;MM149512;CC(C)CCC1(C)CO1;ZGTIKXQPNJWGLR-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149513;MM149513;CC(N)CCC1(C)CO1;XLDONGUHRWPABE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149514;MM149514;CC(O)CCC1(C)CO1;ZMVZKHSFQLIIAR-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149515;MM149515;CC(F)CCC1(C)CO1;BPVSXGONJYZGNY-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149516;MM149516;CC(C)NCC1(C)CO1;KULMGLXEDYMNPW-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149517;MM149517;CC(C)OCC1(C)CO1;FCNZUXHMZNVUGG-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149518;MM149518;CN(C)CCC1(C)CO1;KVGHHHXWIYRQII-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149519;MM149519;C=C(C)CCC1(C)CC1;AVPFWZMYMAMOAY-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149520;MM149520;CC(=O)CCC1(C)CC1;VOSWSNOXGGQRCN-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149521;MM149521;CC1(CCC(=N)N)CC1;QQVMWWSMHIFMDO-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149522;MM149522;C=CC(=NO)C(=C)C(C)C;BIBPTHLMCQMPLZ-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149523;MM149523;CC1(CCC(=O)O)CC1;YCVOGPHTDVZENI-UHFFFAOYSA-N;128.17;1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149524;MM149524;C=C(F)CCC1(C)CC1;XGPFPJJTVOQXPH-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149525;MM149525;C=C(C)CCC1(N)CC1;HJPNZLTVYKJDHV-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149526;MM149526;N=C(N)CCC1(N)CC1;ZNDZYGKXDUCJAD-UHFFFAOYSA-N;127.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149527;MM149527;NC(=O)CCC1(N)CC1;MKFATQPSNYIJIQ-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149528;MM149528;C=C(F)CCC1(N)CC1;OGVUZSVIUQKYRH-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149529;MM149529;C=C(CO)CNC(C)=NO;ZNRJJUGOOWSTPJ-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149530;MM149530;CC(=O)CCC1(O)CC1;LOPFTQZDHHEGJW-UHFFFAOYSA-N;128.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149531;MM149531;N=C(N)CCC1(O)CC1;MWWMJUGYAAMPLV-UHFFFAOYSA-N;128.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149532;MM149532;NC(=O)CCC1(O)CC1;OLBORSOCCJBIEN-UHFFFAOYSA-N;129.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149533;MM149533;C=NN=CC(C)(F)C=NO;MMUNHVCFYTWDAZ-UHFFFAOYSA-N;145.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149534;MM149534;C=C(F)CCC1(O)CC1;IQLZAWDLLJBUKP-UHFFFAOYSA-N;130.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149535;MM149535;C=C(C)CCC1(F)CC1;WVGZARLLLGLLRG-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149536;MM149536;CC(=O)CCC1(F)CC1;JZSYGFGNNGICDK-UHFFFAOYSA-N;130.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149537;MM149537;N=C(N)CCC1(F)CC1;ZLJRAAUZPABTIE-UHFFFAOYSA-N;130.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149538;MM149538;C=C(CC)C(O)C(=O)NN;OTVLLFMIOAVWLQ-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149539;MM149539;O=C(O)CCC1(F)CC1;QRNARYWUEKLSNA-UHFFFAOYSA-N;132.13;1.35;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149540;MM149540;C=C(F)CCC1(F)CC1;HAMPSLPUNKPMDE-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149541;MM149541;CC(=N)NCC1(C)CC1;WGSRAHBDJWIYPQ-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149542;MM149542;COCCC(O)C(=O)NN;YCAIMLIENHNURE-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149543;MM149543;CC1(CNC(=N)N)CC1;VBQLTPZPBWLVSJ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149544;MM149544;CC1(CNC(N)=O)CC1;GNUCFKBLWODPNU-UHFFFAOYSA-N;128.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149545;MM149545;CC(=N)NCC1(N)CC1;FDAXJHLESNJHND-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149546;MM149546;CC(=O)NCC1(N)CC1;BEJCVVRQMWMQMT-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149547;MM149547;N=C(N)NCC1(N)CC1;QSLYIHJPTGYNAR-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149548;MM149548;NC(=O)NCC1(N)CC1;WGNHXTCVYTYNOV-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149549;MM149549;CC(=N)NCC1(O)CC1;CBAYFDURLMTRNK-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149550;MM149550;CC(=O)NCC1(O)CC1;FRLFPOPVNMVKHS-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149551;MM149551;N=C(N)NCC1(O)CC1;QRPPGLBZAORBGK-UHFFFAOYSA-N;129.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149552;MM149552;NC(=O)NCC1(O)CC1;NEAIPWZKRLOGLI-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149553;MM149553;CC(=N)NCC1(F)CC1;KQIPUHKPZPOBOQ-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149554;MM149554;CC(=O)NCC1(F)CC1;FKBXCHWVAAUZMK-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149555;MM149555;N=C(N)NCC1(F)CC1;YPEXREIQDUBWLQ-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149556;MM149556;NC(=O)NCC1(F)CC1;JXSWVQTZYNSAPC-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149557;MM149557;C=C(C)OCC1(C)CC1;REBHZBCDNLVZIK-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149558;MM149558;CC(=O)OCC1(C)CC1;PORZPRDAUJHLHV-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149559;MM149559;CC1(COC(=N)N)CC1;JWCHJIHMRHFZDH-UHFFFAOYSA-N;128.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149560;MM149560;CC1(COC(N)=O)CC1;FAGNOTCGNLLHMF-UHFFFAOYSA-N;129.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149561;MM149561;C=C(C)OCC1(N)CC1;GNVSVCXYWZODHX-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149562;MM149562;CC(=O)OCC1(N)CC1;FRZQAYDXPQRSBY-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149563;MM149563;N=C(N)OCC1(N)CC1;ONDQMTRIKTXAQB-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149564;MM149564;C=C(C)OCC1(O)CC1;GMOBXNBMTBNHAE-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149565;MM149565;CC(=O)OCC1(O)CC1;LNYYWLLHPWGDPX-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149566;MM149566;N=C(N)OCC1(O)CC1;UKWPZTGJOYMCFZ-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149567;MM149567;C=C(C)OCC1(F)CC1;AHPCNFHCTVPKLB-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149568;MM149568;CC(=O)OCC1(F)CC1;DMYSRNSDTWJTMK-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149569;MM149569;N=C(N)OCC1(F)CC1;NPKGSGASGQNWIE-UHFFFAOYSA-N;132.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149570;MM149570;C=C(C)CNC1(C)CC1;BVUKXLGGWJFJEB-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149571;MM149571;CC(=O)CNC1(C)CC1;AYXQARFAMBXRGD-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149572;MM149572;CC1(NCC(=N)N)CC1;YMRXMTUKCGZYGQ-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149573;MM149573;CC1(NCC(N)=O)CC1;HJQTWCUUWOWKMF-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149574;MM149574;CC(=N)NNC1(C)CC1;YPPIXCDULJQCGH-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149575;MM149575;COC=CN(N)C(=O)NN;FMOKRJDOBJAATI-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149576;MM149576;CC1(NNC(=N)N)CC1;YBKDUTLKASCELP-UHFFFAOYSA-N;128.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149577;MM149577;CC(=NO)NCC=CCO;MVVQLMGVFBQNTL-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149578;MM149578;C=C(C)COC1(C)CC1;FTCQIZULTAFPBW-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149579;MM149579;CC(=O)COC1(C)CC1;IGXJWMJNACMCQR-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149580;MM149580;CC1(OCC(=N)N)CC1;LPTYFIHRXAWPSC-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149581;MM149581;CC1(OCC(N)=O)CC1;VJWSSXTXAQEVHO-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149582;MM149582;Cn1[nH]c(=N)n(O)c1=O;ZVAMGSQMXNGAGD-UHFFFAOYSA-N;130.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149583;MM149583;C=C(F)COC1(C)CC1;SXQIXZYRUJOJNL-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149584;MM149584;CC(=N)NOC1(C)CC1;LUQPVDRPXMXRSJ-UHFFFAOYSA-N;128.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149585;MM149585;CC(=O)NOC1(C)CC1;ARKGOSFIKFBRBP-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149586;MM149586;CC1(ONC(=N)N)CC1;CVUBKGZUJJUUPS-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149587;MM149587;CC1(CCC(=N)N)CN1;ZMCZQSQWCFFUBH-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149588;MM149588;CC(=N)NCC1(C)CN1;HHHKCPZAQAJDBL-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149589;MM149589;CC1(CNC(=N)N)CN1;KVHWFOUMRWICLZ-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149590;MM149590;CC1(COC(=N)N)CN1;YZZNBZBWOHNOQS-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149591;MM149591;C=C(C)CCC1(C)CO1;ROTNGJJFLIIVDI-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149592;MM149592;CC(=O)CCC1(C)CO1;GJTIGQZURAGZCN-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149593;MM149593;CC1(CCC(=N)N)CO1;OXVHQCPIPGIVFE-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149594;MM149594;CN(N)C(=NO)NNC=O;PXBCNYLPFGHRCN-UHFFFAOYSA-N;147.14;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149595;MM149595;C#Cc1nn(O)c(=O)n1N;OLEVAVPEIXWDIW-UHFFFAOYSA-N;140.1;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149596;MM149596;C=C(F)CCC1(C)CO1;JCRDMGJAGXFDMT-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149597;MM149597;CC(=N)NCC1(C)CO1;WVZOISGENBQOMR-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149598;MM149598;CC(=O)NCC1(C)CO1;FXXAVDXBKUIUFO-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149599;MM149599;CC1(CNC(=N)N)CO1;YPEFGYJXOZBUKY-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149600;MM149600;CC1(CNC(N)=O)CO1;UCKUECRMRMADLP-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149601;MM149601;C=C(C)OCC1(C)CO1;AAKWSKCLCBYCQL-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149602;MM149602;CC(=O)OCC1(C)CO1;VZTHKGPFAFDKCO-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149603;MM149603;CC1(COC(=N)N)CO1;MQSDCJLPIGPIDO-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149604;MM149604;CCC1(C)C(C)C1(C)C;SLBZKGGIZOUSEZ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149605;MM149605;CC1C(C)(C)C1(C)CN;QVOZQGPNNWFOFC-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149606;MM149606;C#Cc1cc(C=CC)n[nH]1;LSRDDVDZAFCKSI-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149607;MM149607;CC1C(C)(C)C1(C)CF;NDEOKMLILHIJEW-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149608;MM149608;C=NN1CC1C#CCC#N;JTVAUSQYZYWESO-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149609;MM149609;CCC1(C)C(C)C1(C)N;LSJMVPSGXDLDRX-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149610;MM149610;C#CC1NC1C#CCC#N;CAPVIACOJOVQSE-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149611;MM149611;CCC1(C)C(C)C1(C)F;BPADOGOWDXKXEO-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149612;MM149612;CNC1(C)C(C)C1(C)C;HAHFXVFAQDZISQ-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149613;MM149613;CNC1(C)C(C)C1(C)N;CKINJEWPYDBBPK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149614;MM149614;CNC1(C)C(C)C1(C)O;XLDXKGKSPPOEGV-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149615;MM149615;COC1(C)C(C)C1(C)C;JNBSFQUHXJZTNO-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149616;MM149616;CCC1(C)CC1(C)CC;MNTMAIGKUXHYIP-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149617;MM149617;CCC1(C)CC1(C)CN;DSNFOLPPZMJANK-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149618;MM149618;CCC1=NNC(NO)=NN1;WZVJUCKVRVPWAR-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149619;MM149619;CC1(CN)CC1(C)CN;WHAFWTMSBPBNJK-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149620;MM149620;CC1(CN)CC1(C)CF;BLZXFSYXTTUZTI-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149621;MM149621;CC1(CO)CC1(C)CO;JGVOYNDMSZTGRV-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149622;MM149622;CC1(CN)CC1(N)CO;RRFBTKRUWAPQEJ-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149623;MM149623;CC1(CN)CC1(N)CF;ZWTPKBUYSWSGRS-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149624;MM149624;CC1(CF)CC1(N)CN;CJFZEASKYZRRFR-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149625;MM149625;CCC1(C)CC1(C)NC;VBVRCYHKSBPFKH-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149626;MM149626;CNC1(C)CC1(C)CN;OLFQDLPJBSYFKM-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149627;MM149627;CCC1(N)CC1(C)NC;XQZUOVKHGAFMCW-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149628;MM149628;CCC1(C)CC1(C)OC;WPBVCFOOQVQOEZ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149629;MM149629;COC1(C)CC1(C)CN;KLFMAXUSATWWME-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149630;MM149630;COC1(C)CC1(C)CO;CCZGLQUTMIAFDW-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149631;MM149631;CNC1(C)CC1(C)NC;WSHYAPZHXSJPEJ-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149632;MM149632;CCC1(C)NC1(C)CN;LFHQZJNQVBWXKN-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149633;MM149633;CC1(CN)NC1(C)CN;HDLCXQYGQNHIIJ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149634;MM149634;CC1(CN)NC1(C)CO;UPGMUGAQJAIMMS-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149635;MM149635;CC1(CN)NC1(C)CF;YEGVIKCZVQNJMT-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149636;MM149636;C=CC(=NO)C(=C)C;IUWALHCWBVQRGR-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149637;MM149637;CC1(CN)OC1(C)CO;ZMCMCJFQFFVLNW-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149638;MM149638;CCC1(F)CCC1(C)C;LHNVSHNGLHNDTM-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149639;MM149639;C=CC1(C)COC1(C)C;VUIKMUIQCDZLMG-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149640;MM149640;CCC(C)(C)C1(C)CC1;OTLWIYFCXQSFIW-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149641;MM149641;CC(C)(CF)C1(O)CC1;YWLXXZOELAPUHX-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149642;MM149642;CNC(C)(C)C1(C)CC1;IHIMSJULGSNHIJ-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149643;MM149643;CNC(C)(C)C1(N)CC1;CCTFJAPVIYTCFV-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149644;MM149644;CNC(C)(C)C1(F)CC1;TVXKHVITUKQFMJ-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149645;MM149645;COC(C)(C)C1(C)CC1;CIWCHYJXCKKONC-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149646;MM149646;COC(C)(C)C1(N)CC1;KNVZKUMJACHKRW-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149647;MM149647;COC(C)(C)C1(O)CC1;NVYBLVHMHXMRTH-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149648;MM149648;COC(C)(C)C1(F)CC1;RMJATCYCYUOLMP-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149649;MM149649;CNC(C)(C)C1(C)CN1;CMYYNZPPMLKVFH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149650;MM149650;CNC(C)(C)C1(C)CO1;ARYBCIYHXFQSQF-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149651;MM149651;COC(C)(C)C1(C)CO1;AVGXSESHAPYLMM-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149652;MM149652;CCC(CC)CC(C)C;KYCZJIBOPKRSOV-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149653;MM149653;CCC(CN)CC(C)C;PZDIOSMERCSXQS-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149654;MM149654;NN1CC=C(F)C1=O;XDCCVARRODJGEW-UHFFFAOYSA-N;116.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149655;MM149655;CC(C)CC(CN)CN;XUZGYJCSMVQINW-UHFFFAOYSA-N;130.24;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149656;MM149656;CC(C)CC(CN)CO;JMGASEAIRBNJHL-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149657;MM149657;CC(C)CC(CN)CF;BPJBQJKUURHXRJ-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149658;MM149658;CC(C)CC(CO)CO;BKKAVOLVYULZEM-UHFFFAOYSA-N;132.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149659;MM149659;CC(C)CC(CO)CF;JWBMZJBQCZQEAW-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149660;MM149660;CC(C)CC(CF)CF;VFDCGYKKAAFTLC-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149661;MM149661;CCC(CC)CC(C)N;VOKKGDOCOSXEBH-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149662;MM149662;CCC(CN)CC(C)N;HXFBIZDDRNUVGQ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149663;MM149663;CCC(CF)CC(C)N;GYNCMVIMTNTCFO-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149664;MM149664;CC(N)CC(CN)CN;SJRPFEPYHANYHN-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149665;MM149665;CC(N)CC(CN)CO;DRGHPTUONPOQJU-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149666;MM149666;CC(N)CC(CO)CO;GFNQGXPMLIIGCT-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149667;MM149667;N#CCC#CC1CN1;GBYWBIIMPZXXNE-UHFFFAOYSA-N;106.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149668;MM149668;CCC(CN)CC(C)O;ALCNIQMGQIZYLJ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149669;MM149669;CCC(CF)CC(C)O;LMIKYIYGEKFCJM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149670;MM149670;CC(O)CC(CO)CO;MBNGJUKRPGINST-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149671;MM149671;CC(O)CC(CF)CF;ROYQAUSBWHBLOR-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149672;MM149672;CCC(CC)CC(C)F;KYVQSZWCUWOVBY-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149673;MM149673;CCC(CN)CC(C)F;PKXXZHKXSDFPMS-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149674;MM149674;CCC(CO)CC(C)F;IJKKHRAQNACLOB-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149675;MM149675;CC(F)CC(CN)CN;YVOBGVVMQVVGGY-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149676;MM149676;CC(F)CC(CN)CF;SGRPAEGMTVDSQN-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149677;MM149677;CC(F)CC(CO)CO;JOMVPRJLYDQHDG-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149678;MM149678;CC(F)CC(CF)CF;SDZAZWNXDSUPBD-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149679;MM149679;CCC(CC)CC(F)F;GJZKEXFNHBZOBQ-UHFFFAOYSA-N;136.19;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149680;MM149680;CCC(CN)CC(F)F;DGTSKPORFCFIAJ-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149681;MM149681;NCC(CN)CC(F)F;UEHVCYCTFGSGBU-UHFFFAOYSA-N;138.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149682;MM149682;OCC(CF)CC(F)F;CQNACSKINHJVBL-UHFFFAOYSA-N;142.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149683;MM149683;FCC(CF)CC(F)F;CLPFDMVHWWREOU-UHFFFAOYSA-N;144.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149684;MM149684;CCC(CC(C)C)NC;WXRNKMCXPUWCHR-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149685;MM149685;CNC(CN)CC(C)C;NZXITZXWJJCXDV-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149686;MM149686;CCC(CC(C)O)NC;OCQDJPJNWKJHRN-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149687;MM149687;CCC(CC(C)F)NC;XZJNFDFLWJXJEK-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149688;MM149688;CNC(CN)CC(C)F;UBJKJLCBJLZXGD-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149689;MM149689;CCC(CC(C)C)OC;GPBOMPDYDAOOQK-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149690;MM149690;COC(CN)CC(C)C;JYUKUOAPGLIOTL-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149691;MM149691;CCC(CC(C)N)OC;IQDKJHGBEVZUAD-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149692;MM149692;COC(CO)CC(C)N;OSUUBKGXSRDHRS-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149693;MM149693;CCC(CC(C)O)OC;KXWZJOXBVQCIAX-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149694;MM149694;COC(CO)CC(C)O;IQTCUMMSKCPIAY-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149695;MM149695;CCC(CC(C)F)OC;NSGRXBHJKBVYQI-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149696;MM149696;COC(CC(C)C)OC;PLMBSQKUMOJZNE-UHFFFAOYSA-N;132.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149697;MM149697;COC(CC(C)O)OC;QBOIGWDDFIREJQ-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149698;MM149698;COC(CC(C)F)OC;XZAKZBSGKUFRGV-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149699;MM149699;COC(CC(F)F)OC;IMSNHIOTKVGASD-UHFFFAOYSA-N;140.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149700;MM149700;CCC(CC)NC(C)C;ARBUIJSYBRAYHH-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149701;MM149701;CCC(CN)NC(C)C;QSZKUKLAPKIQGE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149702;MM149702;CCC(CO)NC(C)C;HHZREYAIWSZPGE-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149703;MM149703;CC(C)NC(CN)CN;JJCOQUNONYWMKL-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149704;MM149704;CC(C)NC(CO)CO;QTTIKVUAJNXEKT-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149705;MM149705;CCC(CC)OC(C)C;ZYCYGNVKDLSNMY-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149706;MM149706;CCC(CN)OC(C)C;DYTLCQGJOAFZJP-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149707;MM149707;CCC(CO)OC(C)C;XCEFTUZXRMBIES-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149708;MM149708;CCC(CF)OC(C)C;SFWYPQHSZHDWTP-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149709;MM149709;CC(C)OC(CO)CF;JCPCEJOULCYZAR-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149710;MM149710;CCC(OC)OC(C)C;BYSCTAICBJREBO-UHFFFAOYSA-N;132.2;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149711;MM149711;COC(CN)OC(C)C;KWZHSMBFADNTAA-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149712;MM149712;COC(CF)OC(C)C;YTTZFNFDPLQWPR-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149713;MM149713;CCC(CC)CN(C)C;INQYGHQWXMXAIN-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149714;MM149714;CCC(CO)CN(C)C;XGSZZUIXPSHIEH-UHFFFAOYSA-N;131.22;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149715;MM149715;CCC(CF)CN(C)C;HBOPWNPYGSMVMQ-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149716;MM149716;CN(C)CC(CN)CO;IRRVAGLBELTSDW-UHFFFAOYSA-N;132.21;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149717;MM149717;CN(C)CC(CO)CO;KXVPDGDAUFGDRL-UHFFFAOYSA-N;133.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149718;MM149718;CN(C)CC(CF)CF;GQNSFAFCVPIWGV-UHFFFAOYSA-N;137.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149719;MM149719;CNC(CN)CN(C)C;DIBLDQPLXWJQBH-UHFFFAOYSA-N;131.22;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149720;MM149720;CNC(CO)CN(C)C;ZTOVWNAWSYRBKM-UHFFFAOYSA-N;132.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149721;MM149721;CNC(CF)CN(C)C;XPCOFIWPNKNPHI-UHFFFAOYSA-N;134.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149722;MM149722;CCC(CN(C)C)OC;QDEIKNGPIQSFEJ-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149723;MM149723;CCN(CC)CC(C)C;SDJXWHZCYABKHD-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149724;MM149724;CCN(CC)CC(C)N;ZGZHNQPTNCGKHS-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149725;MM149725;CCN(CC)CC(C)O;BHUXAQIVYLDUQV-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149726;MM149726;CCN(CC)CC(C)F;KAKGSRBTQCDLNS-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149727;MM149727;C=CC(CC)CC(C)C;CZBWMBMDKXGHIQ-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149728;MM149728;CCC(C=O)CC(C)C;RASFNDNSLQUKNY-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149729;MM149729;CCC(C#N)CC(C)C;VARJVIPTAAIJST-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149730;MM149730;C=CC(CN)CC(C)C;HDZUXVGTPFKCKB-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149731;MM149731;CC1OC1(C)C(=O)NN;UTYYZDKLXKOZSA-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149732;MM149732;CC(C)CC(C#N)CO;XJRRBCBGHZJOTK-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149733;MM149733;C=CC(CF)CC(C)C;FLQPZGYEQSEKNA-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149734;MM149734;CC(C)CC(C=O)CF;VETSLVLHGMZTBG-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149735;MM149735;CC(C)CC(C#N)CF;HGHDLCYIGZTLAZ-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149736;MM149736;C=CC(CC)CC(C)N;ONZONHDPBUJMQU-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149737;MM149737;C=CC(CF)CC(C)N;KUMJSNKWCCBOIS-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149738;MM149738;C=C(OC)C(=O)NNC;KLUNRSRSWWJERP-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149739;MM149739;CCC(C=O)CC(C)O;GSZIPRVFMGBRLY-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149740;MM149740;CCC(C#N)CC(C)O;WNXFYCZSKJUZCG-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149741;MM149741;CC(O)CC(C#N)CO;CWMRHAQVKPMOIE-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149742;MM149742;C=CC(CF)CC(C)O;QVQIZTSPXFAUHP-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149743;MM149743;CC(O)CC(C=O)CF;JQKDAWNYVLPLJV-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149744;MM149744;C=CC(CC)CC(C)F;JRGZYQIUPLXJPH-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149745;MM149745;CCC(C=O)CC(C)F;OCWRRUAPMQIBNN-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149746;MM149746;CCC(C#N)CC(C)F;ZBSWJQRLHVXPTJ-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149747;MM149747;C=CC(CN)CC(C)F;UQLIONBCMLXUKH-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149748;MM149748;C=CC(CO)CC(C)F;XBPTTZAZLVDHHJ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149749;MM149749;C=CC(CF)CC(C)F;PAJPEECWJNIOAC-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149750;MM149750;CC(F)CC(C=O)CF;NERIJPZXJOZAOI-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149751;MM149751;C=CC(CC)CC(F)F;GYQZOFMACVHSGX-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149752;MM149752;CCC(C#N)CC(F)F;RVNANOZAYNMCSX-UHFFFAOYSA-N;133.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149753;MM149753;C=CC(CF)CC(F)F;PUMROSLNLVFGCE-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149754;MM149754;O=CC(CF)CC(F)F;GJWXGKYHRYPSGE-UHFFFAOYSA-N;140.1;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149755;MM149755;C=CC(CC(C)C)NC;KDHWHNPQAYVPJD-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149756;MM149756;C=CC(CC(C)N)OC;TUVHJWNXBSXDDZ-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149757;MM149757;C=CC(CC(C)O)OC;IHETVGOFWMGWFS-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149758;MM149758;C=CC(CC(C)F)OC;YLRGDLGPDFRGFJ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149759;MM149759;COC(C#N)CC(C)F;SIQJFLADEWASMF-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149760;MM149760;C=CC(CC(F)F)OC;GNXUJWKMWNHEIX-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149761;MM149761;COC(C#N)CC(F)F;IBRFNZBZMZQACX-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149762;MM149762;C=CC(CC)NC(C)C;BEUGDDGGKBOTAQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149763;MM149763;CCC(C=O)NC(C)C;XMDZDDACBXKAKB-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149764;MM149764;COc1nc(C)c(N)[nH]1;XJMAQTBIGXCQTH-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149765;MM149765;C=CC(CF)NC(C)C;SRWFPCQXVWDCQO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149766;MM149766;C=CC(CC)OC(C)C;PFTARFGJJHAJSG-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149767;MM149767;CCC(C#N)OC(C)C;YWUDNOQUTWKQDJ-UHFFFAOYSA-N;127.19;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149768;MM149768;C=CC(CN)OC(C)C;NXUQSNQMTLYMFP-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149769;MM149769;C=CC(CO)OC(C)C;CDOFDBBNGLTVJU-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149770;MM149770;CC(C)OC(C=O)CO;WKPJSUJQHDGXLN-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149771;MM149771;C=CC(CF)OC(C)C;JVXNICDVWNHKFT-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149772;MM149772;C=CC(OC)OC(C)C;RGJJDSRXUMWMCQ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149773;MM149773;COC(C=O)OC(C)C;KGPDKAFZWHYJPG-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149774;MM149774;C=CC(CC)CN(C)C;CYCZMQBAEJSTHM-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149775;MM149775;CCC(C=O)CN(C)C;XJDGFAATKBTNBY-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149776;MM149776;C=CC(CF)CN(C)C;VBTKBBJIQAGZOO-UHFFFAOYSA-N;131.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149777;MM149777;CNC(C#N)CN(C)C;NLKGMCVKANTHGB-UHFFFAOYSA-N;127.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149778;MM149778;C=CC(CN(C)C)OC;CGISNRRHKBTXGB-UHFFFAOYSA-N;129.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149779;MM149779;CCN(C=O)CC(C)N;IXSDHBITSAWJDB-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149780;MM149780;CCN(C=N)CC(C)O;NGLSPPHTGPCSNS-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149781;MM149781;CCN(C=O)CC(C)O;WJQVPHZIPQBROP-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149782;MM149782;C=NN(CC)CC(C)C;OTPANBARLXKFPK-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149783;MM149783;C=NN(CC)CC(C)F;LGDWTGJBVQRKKW-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149784;MM149784;CNN(C=N)CC(C)N;VBBLBWICNYGHED-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149785;MM149785;CNN(C=O)CC(C)N;OIZYMFRBZLLJSY-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149786;MM149786;CNN(C=N)CC(C)O;OGDUJORTYCGOKN-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149787;MM149787;CC1NC1C#CCC#N;HYKKFOMGLYWXFD-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149788;MM149788;CNN(C=O)CC(C)F;OBILDWGWCKKTRY-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149789;MM149789;CNN(C=N)CC(F)F;WFQAOKPUOULHMF-UHFFFAOYSA-N;137.13;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149790;MM149790;CNN(C=O)CC(F)F;YUGWYKGCPRACGP-UHFFFAOYSA-N;138.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149791;MM149791;CON(C=N)CC(C)N;GZDSKAUYBVDQFM-UHFFFAOYSA-N;131.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149792;MM149792;CON(C=O)CC(C)N;JXLCFPJTNANGPL-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149793;MM149793;CON(C=O)CC(C)O;WLSXKNKMZRPNOM-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149794;MM149794;C#CC(CC)CC(C)C;DNTYCVCKZIDBOY-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149795;MM149795;C#CC(CF)CC(C)C;NNSGUTOASAJZBF-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149796;MM149796;C#CC(CC)CC(C)N;HPAVKKDISIMAMB-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149797;MM149797;C#CC(CF)CC(C)N;CXEUMMODYJKNPY-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149798;MM149798;CN1CC1C#CCC#N;SOWBNFWUKWKTGA-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149799;MM149799;C#CC(CC)CC(C)F;HXOFXKGRMCQTEK-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149800;MM149800;C#CC(CC)CC(F)F;SPWNFRRESSQYTL-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149801;MM149801;C#CC(CF)CC(F)F;KLPKJNSTYTWBOI-UHFFFAOYSA-N;136.12;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149802;MM149802;C#CC(CC(C)C)NC;MUIVRWZBICSLFZ-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149803;MM149803;C#CC(CC(C)N)NC;QEQKCEVZTGOZPN-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149804;MM149804;C#CC(CC(C)F)NC;MLRFEEQCZMPCCP-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149805;MM149805;C#CC(CC(F)F)NC;ANYHIHYTHPLGKF-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149806;MM149806;C#CC(CC(C)C)OC;UZTAGOOIJFNETD-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149807;MM149807;C#CC(CC(C)F)OC;CEXZRSDALDZGCF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149808;MM149808;C#CC(CC)NC(C)C;VNOAXAJJOLQKMO-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149809;MM149809;C#CC(OC)OC(C)C;BNYQLBHENMZQOP-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149810;MM149810;C#CC(CC)CN(C)C;IOBISVDKENOTSU-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149811;MM149811;C=CC(C=C)CC(C)C;WFYHNBFJEOWTLR-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149812;MM149812;C=CC(C=O)CC(C)C;MRHTUKLQGIUSOE-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149813;MM149813;C=CC(C#N)CC(C)C;PFBIBXNVYGPLNX-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149814;MM149814;CC(C)CC(C#N)C#N;OZIRUVADHRKHPZ-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149815;MM149815;C=CC(C=C)CC(C)N;YPZXSNFZKKQWMP-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149816;MM149816;COC(=CN)C(=O)NN;HSOOOPRSDOEPJJ-UHFFFAOYSA-N;131.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149817;MM149817;C=CC(C#N)CC(C)O;VNQFJPVPGPGRHC-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149818;MM149818;CC(O)CC(C=O)C=O;IGSMSWGETARFSU-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149819;MM149819;CC(O)CC(C#N)C#N;LBHMGSHYOPASSO-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149820;MM149820;C=CC(C=C)CC(C)F;YCJWYSYBDIOFGT-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149821;MM149821;C=CC(C#N)CC(C)F;KCGXIDOILQTZSN-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149822;MM149822;CC(F)CC(C#N)C#N;PETSLGOAFBEVPV-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149823;MM149823;C=CC(C=C)CC(F)F;BNVKQOALJGJRNS-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149824;MM149824;C=CC(C#N)CC(F)F;CGRCRTMZRMTUPB-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149825;MM149825;CNN=CC(C)(O)C(C)=O;PURAWYZVVZETEB-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149826;MM149826;C=CC(C=C)OC(C)C;KXVHOMOUALDDFJ-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149827;MM149827;C=CC(C#N)OC(C)C;XVKVEFZJPZJGQE-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149828;MM149828;C=CC(C=C)CN(C)C;JBRXUAXHEWJCDH-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149829;MM149829;C=CC(C=O)CN(C)C;VIDFTWARRNQOFQ-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149830;MM149830;C=CN(C=N)CC(C)C;YVKMVXCUMCOAAT-UHFFFAOYSA-N;126.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149831;MM149831;C=CN(C=O)CC(C)C;SVRSFTRQKUZLSJ-UHFFFAOYSA-N;127.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149832;MM149832;C=CN(C=N)CC(C)N;IRDMVUHJLFVYQS-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149833;MM149833;C=CN(C=O)CC(C)N;HGYWBARNOAPIGK-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149834;MM149834;CC(N)CN(C=N)C=N;QQDKXRAAGCVXPK-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149835;MM149835;CC(N)CN(C=N)C=O;WIMWTHHARFEVTB-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149836;MM149836;CC(N)CN(C=O)C=O;CHQUPRDTNZFKRU-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149837;MM149837;CC(O)CN(C=N)C=N;ZODNFQRLZUTFSL-UHFFFAOYSA-N;129.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149838;MM149838;C=C(NC(=O)NN)OCC;GYTOLOJFUROPHW-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149839;MM149839;CC(O)CN(C=O)C=O;GONRGKTWKGTEDE-UHFFFAOYSA-N;131.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149840;MM149840;C=CN(C=O)CC(C)F;WYRIBFOFYWOLCT-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149841;MM149841;CC(F)CN(C=N)C=N;SOOHLIPMCPIFPC-UHFFFAOYSA-N;131.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149842;MM149842;CC(F)CN(C=N)C=O;VDHPCCWMNYZZJQ-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149843;MM149843;C=CN(C=N)CC(F)F;WSDAYHQAXJJWEZ-UHFFFAOYSA-N;134.13;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149844;MM149844;N=CN(C=O)CC(F)F;VIUYAKCRTWPORM-UHFFFAOYSA-N;136.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149845;MM149845;C=NN(C=O)CC(C)N;XPXIGDKXMNHXSQ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149846;MM149846;C=COCOC(=O)NNC;HIEVTQKXLPFPSM-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149847;MM149847;C=NN(C=N)CC(F)F;KELNBEMKCGNWAG-UHFFFAOYSA-N;135.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149848;MM149848;C=CN(C=O)NC(C)C;HFUZSWDIPWMEPX-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149849;MM149849;CC(C)NN(C=N)C=N;DZXQERMGMOWRKQ-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149850;MM149850;C#CC(C=C)CC(C)C;MOWLOHQBWRWAOH-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149851;MM149851;C#CC(C=O)CC(C)C;PFWXUUOZBMAMST-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149852;MM149852;C#CC(C#N)CC(C)C;DWPSBLZPUZRHKM-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149853;MM149853;C#CC(C=C)CC(C)N;YLDQADZOSDUHDA-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149854;MM149854;N#CCC(=O)CNCCF;DZDIGFAAMYPRJL-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149855;MM149855;C#CC(C#N)CC(C)O;AALICEQLWZCSCB-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149856;MM149856;C#CC(C=C)CC(C)F;LUKKQFWGLMUFRY-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149857;MM149857;C#CC(C=C)CC(F)F;AGKHXCPHQORSRU-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149858;MM149858;C#CC(C#N)CC(F)F;QWURIYBVEPIHSL-UHFFFAOYSA-N;129.11;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149859;MM149859;C#CC(C=C)OC(C)C;DMTCSAZVSGGJIE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149860;MM149860;C#CC(C#N)OC(C)C;VYWLHVKDTIFHAC-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149861;MM149861;C#CC(C=C)CN(C)C;ITZCCMUVGHGQRO-UHFFFAOYSA-N;123.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149862;MM149862;C#CC(C#C)CC(C)C;YLOKCXCCFXZSHY-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149863;MM149863;C#CC(C#C)CC(C)N;WSVFDEWRTINMLH-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149864;MM149864;C=NOC(OCC)C(N)=O;NLINMSNLNDLXSV-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149865;MM149865;C#CC(C#C)CC(C)F;HPSYBVURVDJXOS-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149866;MM149866;C#CC(C#C)CC(F)F;NGEBVOGQISJBHP-UHFFFAOYSA-N;128.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149867;MM149867;C#CC(C#C)OC(C)C;LRRZHVBXMDMFGM-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149868;MM149868;C#CC(C#C)CN(C)C;CCFFDFALNAWAHJ-UHFFFAOYSA-N;121.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149869;MM149869;C=C(C)CC(CC)CC;KQNPYTNMPLGBQN-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149870;MM149870;C=C(C)CC(CC)CN;QWLUXCFTNTUSBC-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149871;MM149871;CC1=C(F)C=C(C=NN)C1;NOWXSMDCMIUKHG-UHFFFAOYSA-N;140.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149872;MM149872;C=C(C)CC(CC)CF;WEDCAHMHUDLYCC-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149873;MM149873;C=C(C)CC(CN)CF;AYGMDMVCCSFNLR-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149874;MM149874;C=C(C)CC(CO)CO;LSRWBNVBEAVXME-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149875;MM149875;C=C(C)CC(CF)CF;JLAKMLUFTIYDHC-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149876;MM149876;CCC(CC)CC(C)=O;QKMFSGUNPGTQPT-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149877;MM149877;CCC(CC)CC(=N)N;QCTVGYYVOBYTES-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149878;MM149878;CCC(CN)CC(=N)N;YGIRQSATLZTZNC-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149879;MM149879;CCC(CO)CC(=N)N;IRDNQBOCXGKFBX-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149880;MM149880;CCC(CF)CC(=N)N;MFWVTFJGSNOGSQ-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149881;MM149881;N=C(N)CC(CN)CN;QTLWJCDDFLTCJE-UHFFFAOYSA-N;130.2;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149882;MM149882;N=C(N)CC(CN)CO;KVXVKEHLUZKZHI-UHFFFAOYSA-N;131.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149883;MM149883;N=C(N)CC(CF)CF;DONSPYFJVMOKLK-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149884;MM149884;NNC(=O)OCC(O)CF;OIOCCPQUUCEMIB-UHFFFAOYSA-N;152.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149885;MM149885;CCC(CN)CC(N)=O;OAPLUAMXQKQUOV-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149886;MM149886;NCC(CN)CC(N)=O;OMXPJNPTCUANPZ-UHFFFAOYSA-N;131.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149887;MM149887;NCC(CO)CC(N)=O;OZGGMPMJXPHKCZ-UHFFFAOYSA-N;132.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149888;MM149888;NCC(CF)CC(N)=O;CMWAKRYBILZGAB-UHFFFAOYSA-N;134.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149889;MM149889;NC(=O)CC(CF)CF;RTVFUZKWSALGCX-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149890;MM149890;CCC(CC)CC(=O)O;ATUUSOSLBXVJKL-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149891;MM149891;CCC(CF)CC(=O)O;JKLPZXBNBFFHJS-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149892;MM149892;C=C(F)CC(CC)CC;STSRGHUUIYITBL-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149893;MM149893;C=C(F)CC(CC)CN;QLTOEMGCAIQRNY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149894;MM149894;C=C(F)CC(CC)CO;DGQRMPXTZNAJIU-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149895;MM149895;C=C(F)CC(CC)CF;ACWALOPWSLPIPB-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149896;MM149896;C=C(F)CC(CN)CN;QUKYYOZYYWHCCS-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149897;MM149897;C=C(F)CC(CN)CF;KKCMFICOYGOQPX-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149898;MM149898;C=C(F)CC(CF)CF;DPGGVQHAZNTLJO-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149899;MM149899;C=C(C)CC(CC)NC;MWGNMJKWIHUWMW-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149900;MM149900;C=C(C)CC(CF)NC;YMJUCMAKTVCFQU-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149901;MM149901;CNC(CO)CC(C)=O;WOXXWRZJQJZEAQ-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149902;MM149902;CCC(CC(=N)N)NC;VOSWRCBRKSZQSZ-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149903;MM149903;CNC(CN)CC(=N)N;AGJBMHSQIFXLJI-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149904;MM149904;CNC(CO)CC(=N)N;KBZZFWJMBOLVIU-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149905;MM149905;CNC(CF)CC(=N)N;CLRPECGUWAZBCP-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149906;MM149906;CCC(CC(N)=O)NC;AMINOFDRNPDTFZ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149907;MM149907;CNC(CN)CC(N)=O;ZOBDOMOAROXURQ-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149908;MM149908;CNC(CO)CC(N)=O;AOVKSPGCOGRSNR-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149909;MM149909;C=C(F)CC(CC)NC;DXBNXOYKKIAGOU-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149910;MM149910;C=C(F)CC(CN)NC;DBYNJEDCGQWICR-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149911;MM149911;C=C(F)CC(CF)NC;ZMDXWFHLYCVMPR-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149912;MM149912;C=C(C)CC(CC)OC;CBWFLVWRJUMTKR-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149913;MM149913;COC(CO)CC(C)=O;KDNYCAMDWYPNPX-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149914;MM149914;CCC(CC(=N)N)OC;JGNLAMLXAIBYNT-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149915;MM149915;COC(CN)CC(=N)N;NIBSXVBILNXWQM-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149916;MM149916;COC(CO)CC(=N)N;IFHKJFQNRSRHSS-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149917;MM149917;COC(CN)CC(N)=O;AEBUFXQFNREKLG-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149918;MM149918;COC(CO)CC(N)=O;IJMBELDQDLGCPA-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149919;MM149919;N=c1ncn(O)c(=O)n1N;MURGWZJQNIMOFO-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149920;MM149920;N=CNc1cc(O)[nH]n1;QITMHHIJYRVIEJ-UHFFFAOYSA-N;126.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149921;MM149921;C=C(C)CC(OC)OC;ODFQEIBRVZHDNK-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149922;MM149922;COC(CC(=N)N)OC;PEPURWMMEFOEFN-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149923;MM149923;COC(CC(N)=O)OC;GFYMZLZUENRNIG-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149924;MM149924;C=C(F)CC(OC)OC;NADLQNIVLPXZIL-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149925;MM149925;CCC(CC)NC(C)=N;MDCLMRQZKWKVPK-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149926;MM149926;CCC(CN)NC(C)=N;MUPSKLZYMHBNKG-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149927;MM149927;CCC(CF)NC(C)=N;GFIMRBBBXXFJAZ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149928;MM149928;CC(=N)NC(CN)CN;QUUDBIJHIBDDHK-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149929;MM149929;CC(=N)NC(CN)CO;ZNBQJGQIGHARPQ-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149930;MM149930;CC(=N)NC(CO)CO;DMTDFGWQEFXCGP-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149931;MM149931;CC(=N)NC(CF)CF;LNUJYSYYFUAGIO-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149932;MM149932;NNC(=O)N(N)C=CCO;XKPKQOYIRNTTAH-UHFFFAOYSA-N;146.15;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149933;MM149933;CC(=O)NC(CN)CN;JZVCXAJHVNEUJB-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149934;MM149934;CC(=O)NC(CN)CF;JKLUUIXSAJUXEE-UHFFFAOYSA-N;134.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149935;MM149935;CC(=O)NC(CO)CO;QPWBBPDULLEDDG-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149936;MM149936;CC(=O)NC(CF)CF;NREOLNJAGPMNQV-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149937;MM149937;CCC(CC)NC(=N)N;SHVVXBDEYROZHY-UHFFFAOYSA-N;129.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149938;MM149938;CCC(CN)NC(=N)N;VGRANAIVDLTZTP-UHFFFAOYSA-N;130.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149939;MM149939;CCC(CO)NC(=N)N;RKUYUOWCEWDPAT-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149940;MM149940;N=C(N)NC(CN)CN;ZLCASZANQMIDJH-UHFFFAOYSA-N;131.18;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149941;MM149941;N=C(N)NC(CN)CO;VMATVDZBADJMDK-UHFFFAOYSA-N;132.17;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149942;MM149942;N=C(N)NC(CN)CF;HDIMOCVWWSNFID-UHFFFAOYSA-N;134.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149943;MM149943;N=C(N)NC(CO)CO;ZIKZFDFSPNUMRM-UHFFFAOYSA-N;133.15;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149944;MM149944;CCC(CC)NC(N)=O;ZTFKJYYSZVWVRP-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149945;MM149945;CCC(CN)NC(N)=O;HZXGEYVIASLYIT-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149946;MM149946;CCC(CF)NC(N)=O;VMWNTSRVQZTFPD-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149947;MM149947;NCC(CO)NC(N)=O;YKRSERJMJUAVNX-UHFFFAOYSA-N;133.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149948;MM149948;NCC(CF)NC(N)=O;JWXHHOCHJAFTIW-UHFFFAOYSA-N;135.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149949;MM149949;C=C(C)OC(CC)CC;RMJDXRWMRVDBED-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149950;MM149950;C=C(C)OC(CC)CN;HGPZXOZZASOHHM-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149951;MM149951;C=C(C)OC(CC)CO;RSRAYVFFYORZDM-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149952;MM149952;C=C(C)OC(CC)CF;ZVDPBQWTKJRPLR-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149953;MM149953;C=C(C)OC(CN)CN;XMMNAMSIIWKDKC-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149954;MM149954;C=C(C)OC(CN)CF;OCVZUZOVIKSRKG-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149955;MM149955;C=C(C)OC(CF)CF;ZEQXQTIAFPBVAK-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149956;MM149956;CCC(CC)OC(C)=O;PBKYSIMDORTIEU-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149957;MM149957;CCC(CF)OC(C)=O;UNYATUAYXWIHOB-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149958;MM149958;CC(=O)OC(CN)CN;XFQIURXWFMOTQH-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149959;MM149959;CC(=O)OC(CN)CO;UAANJWWTIPEZCW-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149960;MM149960;CC(=O)OC(CN)CF;KGJBITRUPFPSAR-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149961;MM149961;CC(=O)OC(CO)CO;QPCIUXWQCCFLCI-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149962;MM149962;CCC(CC)OC(=N)N;JFZAYLXXPSGRMV-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149963;MM149963;CCC(CN)OC(=N)N;KZKLOFZCJOKBBQ-UHFFFAOYSA-N;131.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149964;MM149964;CCC(CO)OC(=N)N;QCYKHSZNDPLJKG-UHFFFAOYSA-N;132.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149965;MM149965;N=C(N)OC(CN)CN;HQDDNGLTELNOKD-UHFFFAOYSA-N;132.17;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149966;MM149966;N=C(N)OC(CN)CO;OMQORRSKVBEEAM-UHFFFAOYSA-N;133.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149967;MM149967;NCC(CO)OC(N)=O;AHZKQVGEMBBZJZ-UHFFFAOYSA-N;134.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149968;MM149968;NC(=O)OC(CO)CO;DQNWHIYCCHKFAZ-UHFFFAOYSA-N;135.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149969;MM149969;NC(=O)OC(CF)CF;VXCJKLQHMPYEQG-UHFFFAOYSA-N;139.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149970;MM149970;C=C(C)OC(CC)OC;GVGQIOVIIFNXLW-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149971;MM149971;C=C(C)OC(CO)OC;SYIXSTBQZHGINM-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149972;MM149972;C=C(C)OC(CF)OC;JDVFDHOZJXVLQD-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149973;MM149973;COC(CN)OC(C)=O;HUJLPNRLQNXRNL-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149974;MM149974;COC(CF)OC(C)=O;UQEBTGIKZNQZGQ-UHFFFAOYSA-N;136.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149975;MM149975;COC(CN)OC(=N)N;BSCWFEIWRQJXIQ-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149976;MM149976;COC(CO)OC(N)=O;LOTVRTZTMDZNSY-UHFFFAOYSA-N;135.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149977;MM149977;C=C(C)CN(CC)CC;QSZVXIAOKRJLJW-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149978;MM149978;CCN(CC)NC(=N)N;FVIQJRLHVUELKJ-UHFFFAOYSA-N;130.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149979;MM149979;C=CC(CC)CC(=C)C;UJQXOKQFANEQKS-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149980;MM149980;C=C(C)CC(C=O)CC;AVPKQHKVWXTZED-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149981;MM149981;C=C(C)CC(C#N)CC;HVEYZMRCFHKSOG-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149982;MM149982;C=CC(CN)CC(=C)C;OCGXKTCZCXZIBG-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149983;MM149983;CCON=C(C)C(=O)NN;LDJQWFKGYCTICN-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149984;MM149984;C=CC(CF)CC(=C)C;ZJFKZVDNJMOJAE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149985;MM149985;C=CC(CC)CC(C)=O;DNYPXDFMGQNDEV-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149986;MM149986;CCC(C=O)CC(C)=O;CIQUERDAZQQOHF-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149987;MM149987;C=CC(CF)CC(C)=O;DTZKBNVWRPUZHM-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149988;MM149988;C=CC(CC)CC(=N)N;AGMDXGVDSXAJTN-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149989;MM149989;CCC(C#N)CC(=N)N;JKSNNVYCLBDLTO-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149990;MM149990;C=CC(CN)CC(=N)N;BZXDGDVDCOGZGO-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149991;MM149991;N#CC(CO)CC(=N)N;UKPTVXGHCPDJKN-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149992;MM149992;C=CC(CF)CC(=N)N;MLBNAKSKPYNDHO-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149993;MM149993;N=C(N)CC(C=O)CF;VNJFOIRLLDJWNH-UHFFFAOYSA-N;132.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149994;MM149994;C=NNCCNC(C)=NO;RQKQQQHACKFZCD-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149995;MM149995;CCC(C=O)CC(N)=O;DZUVVIHQTXTUCC-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149996;MM149996;C=CC(CN)CC(N)=O;VPXHHNHLLLSVHJ-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149997;MM149997;NC(=O)CC(C=O)CO;NXMFIFORWPSYSG-UHFFFAOYSA-N;131.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149998;MM149998;N#CC(CO)CC(N)=O;XHNHZZUIDFWULA-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM149999;MM149999;CC(=NO)NCCC=NN;BEMMBCPQRHOIIW-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150000;MM150000;NC(=O)CC(C=O)CF;GKBGLZOEKYGIDJ-UHFFFAOYSA-N;133.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150001;MM150001;C=CC(CC)CC(=O)O;UHLNDYACVPPMJT-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150002;MM150002;Cn1[nH]c(=NO)ncc1=O;RICZFVNESCZJKU-UHFFFAOYSA-N;142.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150003;MM150003;NNc1cc(O)n(N)n1;NPKPSTXMLYYRAC-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150004;MM150004;C=Cc1cnn(C=N)c1O;MFEGRESHCJBWJV-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150005;MM150005;C=CC(CF)CC(=O)O;NDKAIJYDFGGOPK-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150006;MM150006;C=CC(CC)CC(=C)F;UNPMSLYYWAWZJY-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150007;MM150007;C=C(F)CC(C=O)CC;MTTUFMZCHOVKSY-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150008;MM150008;C=C(F)CC(C#N)CC;OUBYAXIXFQQVIQ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150009;MM150009;C=CC(CN)CC(=C)F;ONGHGOBXGVPHPF-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150010;MM150010;C=CC(CO)CC(=C)F;OGUSIFFDZVKALT-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150011;MM150011;C=CC(CF)CC(=C)F;NNPRQZRXSSPHGC-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150012;MM150012;C=C(F)CC(C=O)CF;XNBXJZSTRRJQLU-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150013;MM150013;CNC(C#N)CC(=N)N;IKJTWTPXGDNZCQ-UHFFFAOYSA-N;126.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150014;MM150014;C=CC(CC(N)=O)NC;FPGXFEJMMXRCQF-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150015;MM150015;C=CC(CC(=C)C)OC;HGBNHZOJCGISTH-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150016;MM150016;COC(C=O)CC(=N)N;LUSQQECCDNMNRV-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150017;MM150017;COC(C#N)CC(=N)N;AHGYYJATUGIFCS-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150018;MM150018;COC(C#N)CC(N)=O;UESJPZUIUVGOLQ-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150019;MM150019;NN=c1oc(=O)n(O)n1N;GYULYKQNBGMJNH-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150020;MM150020;C=CC(CC(=C)F)OC;VYMKGGMNKUYPDE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150021;MM150021;C=C(F)CC(C#N)OC;COCBTHYUHKLSHP-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150022;MM150022;C=CC(CN)NC(C)=N;FLAYGQKEHRYLBU-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150023;MM150023;C=CC(CO)NC(C)=N;UZTBRZSTCGHZPY-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150024;MM150024;CC(=N)NC(C=O)CO;BQRFXTFCSMBKNH-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150025;MM150025;CC(=N)NC(C#N)CO;WVVWLDIUIJWMIH-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150026;MM150026;C=CC(CF)NC(C)=N;MKEABDJEICDAOL-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150027;MM150027;CCCNNC(=NO)NO;HHPYIOZJSNIBEX-UHFFFAOYSA-N;148.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150028;MM150028;CCC(C=O)NC(C)=O;LZMPYUQNXUCREP-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150029;MM150029;CCC(C#N)NC(C)=O;OJWULEQQFYNMKW-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150030;MM150030;CC(=O)NC(C#N)CO;LQUDNNDEXGNVSG-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150031;MM150031;CCC(C=O)NC(=N)N;CRNJLNPFGVAFMH-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150032;MM150032;CCC(C#N)NC(=N)N;YNBJBBDFCCZAJK-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150033;MM150033;C=CC(CN)NC(=N)N;TWDXDFFCVLLLPB-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150034;MM150034;C=CC(CO)NC(=N)N;DKCBTCKHFOJJKZ-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150035;MM150035;N=C(N)NC(C=O)CO;DAJUBDACBABWQI-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150036;MM150036;N#CC(CO)NC(=N)N;ZGQNTSLJZKQBGT-UHFFFAOYSA-N;128.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150037;MM150037;C=CC(CF)NC(=N)N;LEQAIJFOSSRBHZ-UHFFFAOYSA-N;131.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150038;MM150038;N#CC(CF)NC(=N)N;LQXYQTPOVMAIGM-UHFFFAOYSA-N;130.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150039;MM150039;CCC(C#N)NC(N)=O;FJAAPYUUCLOGPL-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150040;MM150040;C=CC(CN)NC(N)=O;HZYJHCIPQZHDNM-UHFFFAOYSA-N;129.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150041;MM150041;N#CC(CO)NC(N)=O;KLXSFVSMZGUCGM-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150042;MM150042;N#CC(CF)NC(N)=O;UFBHEHMRSBYIFO-UHFFFAOYSA-N;131.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150043;MM150043;C=CC(CC)OC(=C)C;LZVUNQGRQFLVOG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150044;MM150044;C=C(C)OC(C=O)CC;RLDQEIMOWSMVIV-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150045;MM150045;C=C(C)OC(C#N)CC;HTSMMMMJUANFSM-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150046;MM150046;C=CC(CN)OC(=C)C;ADZMTJZOZHPKJZ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150047;MM150047;C=CC(CO)OC(=C)C;UYXCKJJCGZEJOV-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150048;MM150048;C=C(C)OC(C=O)CO;VXSOKNVCWQKJOL-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150049;MM150049;C=C(C)OC(C#N)CO;OJCQOOOAGLYARV-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150050;MM150050;C=C(C)OC(C=O)CF;IEBVBYKWOOKLOH-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150051;MM150051;C=CC(CC)OC(C)=O;MRLKTTBPWZXARX-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150052;MM150052;CCC(C=O)OC(C)=O;IYOJOSWOUUPBRK-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150053;MM150053;CC(=O)OC(C=O)CO;PXMYWQRLJOHFPE-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150054;MM150054;CC(=O)OC(C#N)CO;GELUCXNHKOXXCO-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150055;MM150055;C=CC(CF)OC(C)=O;ZBGJMVWKTFNDNT-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150056;MM150056;CC(=O)OC(C=O)CF;TUFIFCUFMNSEBO-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150057;MM150057;CCC(C=O)OC(=N)N;TXYXORUNWWUZPN-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150058;MM150058;C=CC(CN)OC(=N)N;ZECXOMACVHKPBB-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150059;MM150059;C=CC(CO)OC(=N)N;GQFHSQBTCYWWFJ-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150060;MM150060;N=C(N)OC(C=O)CO;BCTIDNTWJJTLAJ-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150061;MM150061;N#CC(CO)OC(=N)N;XWJALKUDQSSZLA-UHFFFAOYSA-N;129.12;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150062;MM150062;N#CC(CF)OC(=N)N;OXAFAEWGTAPAEG-UHFFFAOYSA-N;131.11;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150063;MM150063;NC(=O)OC(C=O)CO;RIRKPZZNWXUTNF-UHFFFAOYSA-N;133.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150064;MM150064;N#CC(CO)OC(N)=O;QMOJEDQBDJMJJS-UHFFFAOYSA-N;130.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150065;MM150065;C=CC(CF)OC(N)=O;AAOZIGCWALVEIJ-UHFFFAOYSA-N;133.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150066;MM150066;C=CC(OC)OC(=C)C;FZYXZVMHWBJHLT-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150067;MM150067;C=C(C)OC(C=O)OC;CDPFZVULXAVOHU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150068;MM150068;COC(C=O)OC(C)=O;YCUAVCJGMZBFKI-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150069;MM150069;COC(C=O)OC(=N)N;OXHZGBVJOZTEOM-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150070;MM150070;C=C(C)CN(C=N)CC;XQVSSUUHLFPQAD-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150071;MM150071;C=C(C)CN(C=O)CC;IUOWTSPPKDVWEU-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150072;MM150072;CCN(C=N)CC(=N)N;XSJJYNBHWYMRJC-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150073;MM150073;CCN(C=O)CC(=N)N;RHLYQNDXQZNTGG-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150074;MM150074;CCN(C=N)CC(N)=O;IGGQCLYXZFCZSY-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150075;MM150075;CCN(C=O)CC(N)=O;XIDZLTRYHZVJCS-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150076;MM150076;Cn1c(O)ncnc1=NN;ZCVLINAUZHRULK-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150077;MM150077;C=C(F)CN(C=O)CC;WHOJBSRHRHHRGJ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150078;MM150078;C=NN(CC)CC(=C)C;BJFZFWWUBSIFBS-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150079;MM150079;C=NN(CC)CC(=C)F;SENBCNADMYCYAV-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150080;MM150080;CNN(C=N)CC(C)=O;AWFOBXOYAAWJOE-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150081;MM150081;C=CC(=NO)NCC=CF;UPWZKEBMERKSCY-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150082;MM150082;CNN(C=N)CC(=N)N;YOFQSMYMQHXYAW-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150083;MM150083;CNN(C=O)CC(=N)N;SUFHJVQELOVSSC-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150084;MM150084;Nn1c(=NO)oc(=O)n1O;QQDHEGQOLDVIAF-UHFFFAOYSA-N;148.08;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150085;MM150085;CON(C=O)CC(=N)N;XOXSGWAOYXQYTI-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150086;MM150086;CON(C=O)CC(N)=O;UPZYCZPYWYIZQR-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150087;MM150087;N=c1nc(C(=O)CO)o[nH]1;IBNGXXKAHMCMCI-UHFFFAOYSA-N;143.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150088;MM150088;CCN(C=N)NC(=N)N;YOMUCIZGYGRKMA-UHFFFAOYSA-N;129.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150089;MM150089;CCN(C=O)NC(=N)N;SSKLIKHKJJWLIQ-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150090;MM150090;CCN(C=N)NC(N)=O;AFMXPYVVZLQFQR-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150091;MM150091;C#CC(CC)CC(=C)C;HFXCSNQFHGJZDO-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150092;MM150092;C#CC(CF)CC(=C)C;RVUGZANTUJUWMS-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150093;MM150093;C#CC(CC)CC(C)=O;JOIVOKBMJDHLLH-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150094;MM150094;C#CC(CC)CC(=N)N;QEQMETXBAQJAEJ-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150095;MM150095;C#CC(CF)CC(=N)N;NNFTUDPHJQLSKH-UHFFFAOYSA-N;128.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150096;MM150096;C#CC(CF)CC(N)=O;GPUZIFBSTSHKNE-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150097;MM150097;C#CC(CC)CC(=C)F;YEOLMQILGPXCLM-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150098;MM150098;C#CC(CC(=N)N)NC;RCYBXDCMQIDTAI-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150099;MM150099;C#CC(CC(=C)F)OC;QJKJZZZUHQOSHE-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150100;MM150100;C#CC(CO)NC(C)=N;PLGIINONDXEXGB-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150101;MM150101;C#CC(CO)NC(C)=O;RUKFLOLNKJHPHI-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150102;MM150102;C#CC(CN)NC(=N)N;RKMSLUDORSTGHW-UHFFFAOYSA-N;126.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150103;MM150103;C#CC(CN)NC(N)=O;GJIRELAGNWKNSJ-UHFFFAOYSA-N;127.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150104;MM150104;C#CC(CC)OC(=C)C;BZFSWIOUXKWPBK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150105;MM150105;C#CC(CN)OC(=C)C;IBLSWNNYLOFRIJ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150106;MM150106;C#CC(CF)OC(=C)C;NTXBANLQJZZESQ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150107;MM150107;C#CC(CC)OC(C)=O;KWXKYYAYIIGYLB-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150108;MM150108;C#CC(CN)OC(=N)N;ZUBGBQCNFFCXLR-UHFFFAOYSA-N;127.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150109;MM150109;C#CC(CO)OC(=N)N;SNXWHLIBHHSYHB-UHFFFAOYSA-N;128.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150110;MM150110;C#CC(CC)OC(N)=O;IEWNAUUPQWNKLU-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150111;MM150111;C#CC(OC)OC(=C)C;CEOIJGJCLRZGHP-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150112;MM150112;C#CC(OC)OC(N)=O;LZXOAUNXHGXOEB-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150113;MM150113;C=CC(C=C)CC(=C)C;MKCPNAHNINBNEC-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150114;MM150114;C=CC(C=O)CC(=C)C;VXMWSSRMSQQCTJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150115;MM150115;C=CC(C#N)CC(=C)C;XODLROISHOLQMF-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150116;MM150116;C=C(C)CC(C#N)C#N;RDNHTSMFDKAWPM-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150117;MM150117;C=CC(C=C)CC(C)=O;BEDDQKFCPSDJOA-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150118;MM150118;CC(=O)CC(C#N)C#N;GYPFNCVSSGJUGL-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150119;MM150119;C=CC(C=C)CC(=N)N;XCYFPWLOVPFZRJ-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150120;MM150120;N#CC(C#N)CC(=N)N;SNVXSAOGSQFIMQ-UHFFFAOYSA-N;122.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150121;MM150121;N#CC(C=O)CC(N)=O;OAVRLYOBHLILLP-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150122;MM150122;C=CC(C=C)CC(=O)O;SZXKBVJWWIHELM-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150123;MM150123;C=CC(C#N)CC(=O)O;MGBLZUVDMSLNIJ-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150124;MM150124;C=CC(C=C)CC(=C)F;FECSHSBTXUZBKK-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150125;MM150125;C=CC(C=O)CC(=C)F;BEEHUBUIKXFCBN-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150126;MM150126;C=C(F)CC(C#N)C#N;KKRPZYVQCBFYMD-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150127;MM150127;C=CC(C=C)NC(C)=N;NAEVSSKKASHKSB-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150128;MM150128;C=CC(C=O)NC(C)=N;YNLBDRLJERSCDD-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150129;MM150129;CC(=N)NC(C#N)C=O;HXZOUVLFXHNRRC-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150130;MM150130;C=CC(C=O)NC(C)=O;YUVLOIKHHAAUBJ-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150131;MM150131;C=CC(C=O)NC(=N)N;HCCRNZFBLVMDRS-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150132;MM150132;C=CC(C#N)NC(=N)N;NSRRKFMYVBFNNH-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150133;MM150133;N=C(N)NC(C=O)C=O;JHXPAOLQUXTKRV-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150134;MM150134;C=CC(C=O)NC(N)=O;MKSAOZZNYWQIKP-UHFFFAOYSA-N;128.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150135;MM150135;C=CC(C#N)NC(N)=O;UBSYGNIWWCHTMB-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150136;MM150136;CCc1nc(=NC)o[nH]1;CNWGVLTYYZMPBU-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150137;MM150137;N#CC(C=O)NC(N)=O;KHMWMVXTRMYHLW-UHFFFAOYSA-N;127.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150138;MM150138;C=CC(C=C)OC(=C)C;IOGTXDMGOOFOGB-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150139;MM150139;C=CC(C=O)OC(=C)C;RWZQWGWEPDYAKK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150140;MM150140;C=CC(C#N)OC(=C)C;CKTRFGCEJSMGHK-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150141;MM150141;C=CC(C=C)OC(C)=O;FFCBPQDLWBMDJX-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150142;MM150142;CN1C(=O)CC(=O)N1C;OCKYCCVSWVDVAL-UHFFFAOYSA-N;128.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150143;MM150143;N=C(N)OC(C=O)C=O;OOFXWVYIRLQGFB-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150144;MM150144;N#CC(C=O)OC(=N)N;NGPCFVZAAUXTQZ-UHFFFAOYSA-N;127.1;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150145;MM150145;N#CC(C#N)OC(=N)N;KVIAGZOECOCXLE-UHFFFAOYSA-N;124.1;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150146;MM150146;C=CC(C=O)OC(N)=O;OQPQFQCULNSPJI-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150147;MM150147;N#CC(C=O)OC(N)=O;JTMRAPOMPVHLAN-UHFFFAOYSA-N;128.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150148;MM150148;C=CN(C=O)CC(C)=O;WUFPOVNIBUEMRU-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150149;MM150149;CC=C(CF)C(=O)NNC;KEJQCXYYSQYSPU-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150150;MM150150;C=CN(C=N)CC(=N)N;SBKFIHVYTDJEAL-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150151;MM150151;N=CN(C=N)CC(=N)N;LTDMFLZFGSKOIH-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150152;MM150152;N=CN(C=O)CC(=N)N;KXYSCUUXCKILJU-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150153;MM150153;N=C(N)CN(C=O)C=O;MUHDJSVVBHPUSC-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150154;MM150154;C=CN(C=N)CC(N)=O;LJLZZJWLLHOCLC-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150155;MM150155;O=CNNCC1(C=O)CO1;WXPAFXQNQWFQSZ-UHFFFAOYSA-N;144.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150156;MM150156;NC(=O)CN(C=O)C=O;YBDHHXYEVDRVEO-UHFFFAOYSA-N;130.1;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150157;MM150157;Cn1c(O)nc(=O)n1O;UQCMQZQJTAKQHS-UHFFFAOYSA-N;131.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150158;MM150158;O=c1[nH]nc2[nH]oc(F)c1-2;VBDMKLFZBCZESL-UHFFFAOYSA-N;143.08;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150159;MM150159;C=CN(C=N)CC(=C)F;RXAMXHYIYALYME-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150160;MM150160;C=CN(C=O)CC(=C)F;BMBXWBKJDSVVPA-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150161;MM150161;C=C(F)CN(C=N)C=O;GQZDWOSREODQHJ-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150162;MM150162;C=NN1C=NC(C=O)C1=C;DMBNQZDEJFEZDN-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150163;MM150163;CCc1n[nH]c(=O)n1O;DLKVZLSWJCDUCC-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150164;MM150164;COc1cc(=O)n(O)o1;FLCIQNYKYRZELJ-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150165;MM150165;C=CN(C=N)NC(C)=N;VCYOKVDNGFMPEF-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150166;MM150166;CC(=N)NN(C=N)C=N;NVHRYRVGKSSEJS-UHFFFAOYSA-N;127.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150167;MM150167;CC(=N)NN(C=N)C=O;MKUXKNATPIEWBN-UHFFFAOYSA-N;128.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150168;MM150168;CC(=N)NN(C=O)C=O;DQHCFBQCVMVICG-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150169;MM150169;C=CN(C=N)NC(C)=O;KHGAEIGUUWGAML-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150170;MM150170;CC(=O)NN(C=N)C=O;RMTKAHMZZHTTBG-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150171;MM150171;CC(=O)NN(C=O)C=O;QSWFNFVSYRDVDD-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150172;MM150172;C=CN(C=O)NC(=N)N;VPEBTONRNCQGTD-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150173;MM150173;N=CN(C=N)NC(=N)N;WVAIDBRHWCYAQH-UHFFFAOYSA-N;128.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150174;MM150174;N=C(N)NN(C=O)C=O;CUSAKAWHILDNOO-UHFFFAOYSA-N;130.11;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150175;MM150175;C=CN(C=O)NC(N)=O;DQPROWLLGMIIQT-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150176;MM150176;N=CN(C=O)NC(N)=O;DSJPNWSSGDQVTL-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150177;MM150177;CC(=O)ON(C=N)C=N;HPHUISKCORVAHI-UHFFFAOYSA-N;129.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150178;MM150178;CC(=O)ON(C=N)C=O;BKQVWOCZWPPCTD-UHFFFAOYSA-N;130.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150179;MM150179;CC(=O)ON(C=O)C=O;SEUFTXCYLAMUGM-UHFFFAOYSA-N;131.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150180;MM150180;C#CC(C=C)CC(=C)C;ABOGYPSPCOLBIO-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150181;MM150181;C#CC(C=C)CC(C)=O;SKPJTUZSGRWXLT-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150182;MM150182;C#CC(C#N)CC(C)=O;PVQXPROKRHUXSM-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150183;MM150183;C#CC(C=C)CC(=N)N;UHKRDBGURFPENV-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150184;MM150184;C#CC(C=C)CC(N)=O;VWKPMHDNRGAJJB-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150185;MM150185;C#CC(C#N)CC(N)=O;CWAFDUHOLZXYFR-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150186;MM150186;C#CC(C=C)CC(=O)O;GBBGBPRPJAVPQR-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150187;MM150187;C#CC(C#N)CC(=O)O;FTLUOYNEOZVTSL-UHFFFAOYSA-N;123.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150188;MM150188;C#CC(C=C)CC(=C)F;HGTSTSHWNLLTDX-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150189;MM150189;C#CC(C=O)NC(C)=N;RHJJACJUKNVDLC-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150190;MM150190;C#CC(C=C)NC(C)=O;MXFUIMHAEDXUAP-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150191;MM150191;C#CC(C=C)NC(=N)N;YKHWBZBDFAFADH-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150192;MM150192;C#CC(C=O)NC(=N)N;DUYWPZCQXXOXMO-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150193;MM150193;C#CC(C#N)NC(=N)N;CASMCFRLQLFSSY-UHFFFAOYSA-N;122.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150194;MM150194;C#CC(C=O)NC(N)=O;IMZNKDBVQSOTRL-UHFFFAOYSA-N;126.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150195;MM150195;C#CC(C#N)NC(N)=O;LJUFYDLEPBKPLB-UHFFFAOYSA-N;123.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150196;MM150196;C#CC(C=C)OC(=C)C;HIGUVMQTCANHCX-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150197;MM150197;C#CC(C=O)OC(=C)C;OLSDHUUVRGNFRF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150198;MM150198;C#CC(C#N)OC(=C)C;ATJKCRSIPAJPKH-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150199;MM150199;C#CC(C=C)OC(C)=O;PNOOWIWBKPDPRP-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150200;MM150200;C#CC(C#N)OC(C)=O;QLGLPBORXIKYRP-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150201;MM150201;C#CC(C=O)OC(=N)N;JIGCJNMFIYQWTJ-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150202;MM150202;C#CC(C#N)OC(=N)N;NVHQPJJARAAIOY-UHFFFAOYSA-N;123.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150203;MM150203;C#CC(C=C)OC(N)=O;ZZDPTFMYRRIMEQ-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150204;MM150204;C#CC(C#C)CC(=C)C;FVJLSLIITRMXMA-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150205;MM150205;C#CC(C#C)CC(=O)O;GYCWNBQOKVXKPC-UHFFFAOYSA-N;122.12;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150206;MM150206;C#CC(C#C)CC(=C)F;RXTBBXOBOCVTIZ-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150207;MM150207;C#CC(C#C)OC(=C)C;NBDAZMYZTWHSGL-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150208;MM150208;C#CC(C#C)OC(C)=O;PXIZKMMPEPUKFD-UHFFFAOYSA-N;122.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150209;MM150209;CC=C(CC)CC(C)C;ZMWRMRWZFTZISH-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150210;MM150210;CC=C(CN)CC(C)C;LUDMAHGRTZHPQQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150211;MM150211;CC(C)CC(=CF)CN;GLJFZCGCJYROHC-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150212;MM150212;N#CCC(=O)C1NC1CF;UXDAAXCQJLJCJO-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150213;MM150213;CC=C(CF)CC(C)C;MJCUVVCALQEODY-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150214;MM150214;CC=C(CC)CC(C)N;FFKKVFWWLYGXBA-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150215;MM150215;CCC(=CF)CC(C)N;PZNYZTWROYCHAM-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150216;MM150216;CC=C(CO)CC(C)N;MJOXGWBBXJKSQU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150217;MM150217;CC=C(CF)CC(C)N;ORAALAZHZVITSE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150218;MM150218;CC(N)CC(=CF)CF;SRYYIYYVAIQJFL-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150219;MM150219;CC1C(C#CCC#N)N1C;NOKSNDXFQLVACQ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150220;MM150220;CCC(=CF)CC(C)O;JERMHGYLIOCUBE-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150221;MM150221;CC=C(CN)CC(C)O;DZEVKZFEMIUTEN-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150222;MM150222;CC(O)CC(=CF)CN;NSAOTYRREZGOBD-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150223;MM150223;CC=C(CO)CC(C)O;XJMLRKXSGIQDIH-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150224;MM150224;CC=C(CF)CC(C)O;XENNRGNBLKTBSV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150225;MM150225;CC(O)CC(=CF)CF;AIWUCVVYQYPJHK-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150226;MM150226;CC=C(CC)CC(C)F;QCGXWCJLFXLEQD-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150227;MM150227;CC=C(CN)CC(C)F;QDHZORGRQFMINE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150228;MM150228;CC=C(CF)CC(C)F;GVCIXJBLZUFPRD-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150229;MM150229;CC(F)CC(=CF)CF;ZBWMEHGRAQCEHS-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150230;MM150230;CC=C(CC)CC(F)F;JRVZTSPQTQJTGY-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150231;MM150231;CCC(=CF)CC(F)F;IKCLRIGZJCKKFY-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150232;MM150232;NCC(=CF)CC(F)F;JLVPXHLOCCCFJG-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150233;MM150233;CC=C(CF)CC(F)F;NIZFNZANRKULFC-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150234;MM150234;FC=C(CF)CC(F)F;FIYYODLXMDAUPR-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150235;MM150235;CCC(CC(C)C)=NO;CQQAACHCNLWNCC-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150236;MM150236;CC(C)CC(CF)=NN;SCXFXKYNJNCGMB-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150237;MM150237;CCC1NC1C#CCC#N;FVLXZRHJISIFHX-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150238;MM150238;CCC(CC(C)F)=NO;IGPDXJXKKQFLDX-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150239;MM150239;CC(F)CC(CF)=NN;QTTDVJXMEANGDD-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150240;MM150240;Oc1oc(O)c(F)c1F;XCVVUXAQDAPREC-UHFFFAOYSA-N;136.05;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150241;MM150241;CCC(CC(F)F)=NO;XMJLJBYNOCYFQD-UHFFFAOYSA-N;137.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150242;MM150242;CN=C(CC(C)C)NC;HJHNZSVRJAYMNO-UHFFFAOYSA-N;128.22;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150243;MM150243;CC(F)CC(=NO)NO;DCCKGIOINVYROY-UHFFFAOYSA-N;136.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150244;MM150244;CN=C(CC(F)F)NC;GTVFOFVDFTYTEB-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150245;MM150245;CC=C(CC(C)C)OC;JFWRRYJZAOAEHA-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150246;MM150246;COC(=CF)CC(C)C;OBMZFDVZMKOMOK-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150247;MM150247;CC=C(CC(C)N)OC;AHQKYOOIQISBAG-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150248;MM150248;CC=C(CC(C)O)OC;MIHWIDJKCPKXDK-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150249;MM150249;COC(=CF)CC(C)O;GIQALETZYRWVCJ-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150250;MM150250;CC=C(CC(F)F)OC;XACMPRIKAPCLGH-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150251;MM150251;COC(CC(C)C)=NO;JEHLXMMPFQHQHZ-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150252;MM150252;COC(CC(C)N)=NO;WEHPTFFDJIWHDU-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150253;MM150253;COC(CC(C)O)=NO;WOXYWBRYFBTTRZ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150254;MM150254;CCN1CC1C#CCC#N;FZJZVRFGHLQFGJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150255;MM150255;COC(CC(C)F)=NO;ZSGYVSMQCUOLOX-UHFFFAOYSA-N;135.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150256;MM150256;C=CC1NC1C#CCC#N;ORNBTSJEMKUHEB-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150257;MM150257;CCC(=NC)NC(C)C;XHPPJCHNIKXKTH-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150258;MM150258;CN=C(NO)NC(C)C;JDFGBMPISFEMAO-UHFFFAOYSA-N;131.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150259;MM150259;CC=C(CC)OC(C)C;QQGALPUNYCZAAN-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150260;MM150260;CCC(=CF)OC(C)C;ZRYWACDJRMQZJU-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150261;MM150261;CC=C(CO)OC(C)C;GDIVMLJLACWYPS-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150262;MM150262;CC(C)OC(=CF)CO;ATQJEAQMSVGMJS-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150263;MM150263;CC=C(CF)OC(C)C;DLGWEPDVENZURE-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150264;MM150264;CC(C)OC(=CF)CF;VXLPAOIXIYVVRA-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150265;MM150265;NNC(=O)CNC=O;CIRVNJGVWPTMFQ-UHFFFAOYSA-N;117.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150266;MM150266;CC=C(CC)CN(C)C;UBLDXYCVRMTTBB-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150267;MM150267;CN(C)CC(=CF)CN;RFVFNWWUULMUJY-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150268;MM150268;CC=C(CF)CN(C)C;NABQIHCTMRGIBJ-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150269;MM150269;C=CC(C=C(C)C)=NO;YDINITPHTXTUQL-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150270;MM150270;C=NOC1CC1(O)C=O;GKFDDOFUXRSZNQ-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150271;MM150271;CN=C(CN)NN(C)C;OEMFWAJDOLWEEA-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150272;MM150272;CN=C(CF)NN(C)C;DQLLYGDDQSIJKY-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150273;MM150273;C=NOC(OC)C(N)=O;NOPURHJJIASOPU-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150274;MM150274;CN=C(NC)NN(C)C;YYADYYXFIWHPKV-UHFFFAOYSA-N;130.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150275;MM150275;CN(C)NC(=NN)NO;FXUPKQSISXKUIF-UHFFFAOYSA-N;133.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150276;MM150276;N=C1NC(CO)=CC1F;LLSZRCDODJWGCR-UHFFFAOYSA-N;130.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150277;MM150277;C=C1C(C=O)N=CN1O;LZGFPCBQUSSENN-UHFFFAOYSA-N;126.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150278;MM150278;COC(=NO)NN(C)C;KPWOLECHFFRFRH-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150279;MM150279;C=CC(=CC)CC(C)C;BYVPMABWUHRRNA-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150280;MM150280;C=CC(=CF)CC(C)C;XDQVEFNLWKCQTQ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150281;MM150281;CC=C(C=O)CC(C)C;DQSYXTKBMVWAMP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150282;MM150282;CC=C(C#N)CC(C)C;JDTAKYGAMVESIJ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150283;MM150283;CC(C)CC(C=O)=CN;UQTDHERCHFOWIR-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150284;MM150284;CC(C)CC(C#N)=CN;ZOYVRNPYFIMMGQ-UHFFFAOYSA-N;124.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150285;MM150285;CC(C)CC(C#N)=CF;SDTXXCZVDSUMPM-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150286;MM150286;C=CC(=CC)CC(C)N;CEJXGDVACOIMQK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150287;MM150287;C=CC(=CF)CC(C)N;VLCFNBKJGAJCEO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150288;MM150288;CN1CC1C(=O)CC#N;DJDUMELDGCUHRG-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150289;MM150289;C=CC(=CF)CC(C)O;KGMUWENVCCNHKU-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150290;MM150290;CC=C(C=O)CC(C)O;KNMGHJRTBACQPY-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150291;MM150291;CC=C(C#N)CC(C)O;HUXIBDWWCROMKU-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150292;MM150292;C=CC(=CC)CC(C)F;WJVCRYZRVYJJGN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150293;MM150293;C=CC(=CF)CC(C)F;FEUBLTVIECFBMX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150294;MM150294;CC=C(C=O)CC(C)F;FYGLSSWQTKPQLX-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150295;MM150295;CC=C(C#N)CC(C)F;XHALZMIVSIUEJX-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150296;MM150296;CC(F)CC(C#N)=CN;RGSPTLMKTRBQJD-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150297;MM150297;CC(F)CC(C#N)=CF;LGSWEUPNJGTRQN-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150298;MM150298;C=CC(=CC)CC(F)F;FXPULBQZENSWEQ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150299;MM150299;CC=C(C=O)CC(F)F;AVNCXPOFFGXAER-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150300;MM150300;CC=C(C#N)CC(F)F;YSTULOZIFHPWHU-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150301;MM150301;C#CC(CO)C(=O)NN;KTXBFNKMZUWANI-UHFFFAOYSA-N;128.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150302;MM150302;N#CC(=CF)CC(F)F;OGADJQORVSGETF-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150303;MM150303;C=CC(CC(C)C)=NN;KTQACOUHNFEUGO-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150304;MM150304;CC(=NO)N1C(C)C1C;FMVGDLBZFAJNST-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150305;MM150305;CNNC(=O)NC=CC=O;JJQCUOGCWJOUOK-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150306;MM150306;COc1coc(C#N)c1O;VVIUUIOQCQFUNL-UHFFFAOYSA-N;139.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150307;MM150307;C=CC(CC(C)F)=NN;WDAIQBRTVPUSQO-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150308;MM150308;C=CC(=NC)NC(C)C;CTTUNVFGCDMUMM-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150309;MM150309;C=CC(=NC(C)C)NN;PRPIUGHRRKWKBT-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150310;MM150310;C=CC(=NC(C)C)NO;YTNSSHXLNAMUSG-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150311;MM150311;C=CC(=CC)OC(C)C;NINNRXDJUPOFFD-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150312;MM150312;C=CC(=CF)OC(C)C;GPZBQZVLXHHOBP-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150313;MM150313;CC=C(C=O)OC(C)C;QIXCQOPHQQTSJQ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150314;MM150314;CC(C)OC(C=O)=CN;BSSPUZFKASZJJM-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150315;MM150315;CC(C)OC(C=O)=CF;VSDDIAIGMLIREG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150316;MM150316;C=CC(=CC)CN(C)C;GBIACEUFVHPWJD-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150317;MM150317;CC=C(C#N)CN(C)C;VXXKJPRZGTWOQG-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150318;MM150318;CN(C)CC(C#N)=CN;XWTGWCZOQTXERI-UHFFFAOYSA-N;125.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150319;MM150319;C#CC=CNC(=O)NNC;MBVQKSKCYUBWGH-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150320;MM150320;C#CC(=CC)CC(C)C;ASWZVMXRSKMCCX-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150321;MM150321;C#CC(=CF)CC(C)C;XLURGMOUWAGUKP-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150322;MM150322;C#CC(=CC)CC(C)N;DHBYKYMKYQPZEU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150323;MM150323;C#CC(=CF)CC(C)N;CVCUFEUIPFTQNU-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150324;MM150324;CN(N)C(=O)NOC=NN;HPGPJDNDJXMRET-UHFFFAOYSA-N;147.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150325;MM150325;C#CC(=CC)CC(C)F;APMNHMLZFALPCT-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150326;MM150326;C#CC(=CF)CC(C)F;QJUMHPGJSJZWLE-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150327;MM150327;C#CC(=CC)CC(F)F;ASSJBAYWLSILJC-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150328;MM150328;C#CC(=CF)CC(F)F;OZNKNWFZZMLJTG-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150329;MM150329;C#CC(CC(F)F)=NN;FBAXNTWTCBUUAC-UHFFFAOYSA-N;132.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150330;MM150330;C#CC(=NC)NC(C)C;AOHJMXYKBOSGNO-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150331;MM150331;C#CC(=CC)OC(C)C;FCADOCJZBFMANB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150332;MM150332;C#CC(=CF)OC(C)C;AXDSJLIBGCOIBD-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150333;MM150333;C#CC(=NN(C)C)NN;PJTZWRDZRMAHOM-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150334;MM150334;C=C(C)CC(=CC)CC;RBYUHQGUQQNGBQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150335;MM150335;C=C(C)CC(=CF)CC;XTZDHPPLBYPJBR-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150336;MM150336;C=C(C)CC(=CC)CN;MJWDEWLNYBYLAQ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150337;MM150337;C=C(C)CC(=CF)CN;HMIQTGTVTAPBGQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150338;MM150338;CC(=NN)OCC(=O)NN;GCKMGEFFXMYBSZ-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150339;MM150339;C=C(C)CC(=CC)CF;ZIEJGJSSMXQTOM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150340;MM150340;C=C(C)CC(=CF)CF;TWYLCENYVFPZPP-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150341;MM150341;CC=C(CC)CC(C)=O;BJQOZFFFPOXZAL-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150342;MM150342;CCC(=CF)CC(C)=O;XMQWQKFCHLHHRO-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150343;MM150343;CC=C(CF)CC(C)=O;DHHZQKFCWKDBOY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150344;MM150344;CC(=O)CC(=CF)CF;OOKHEIQXMFFHEP-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150345;MM150345;CC=C(CC)CC(=N)N;FWSUBHPQIJCDDG-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150346;MM150346;CCC(=CF)CC(=N)N;GXMQRMQSEYFURX-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150347;MM150347;N=C(N)CC(=CF)CN;KEGOHBVMNITQSY-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150348;MM150348;CC=C(CO)CC(=N)N;BULSVQYEUPTULM-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150349;MM150349;CC=C(CF)CC(=N)N;WWDLJBAMZLEJMS-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150350;MM150350;CCC(=CF)NC(=O)NN;INIBNCXWSLYKOV-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150351;MM150351;CC=C(CN)CC(N)=O;VRJNUILYDUZHIW-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150352;MM150352;NCC(=CF)CC(N)=O;DILDWIMVCONEKH-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150353;MM150353;CC=C(CO)CC(N)=O;TUNSTVMLBPGSIM-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150354;MM150354;CC=C(CC)CC(=O)O;SNOQFGDRFDBUTQ-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150355;MM150355;CCC(=CF)CC(=O)O;YJXKXHFXYCUZSN-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150356;MM150356;O=C(O)CC(=CF)CF;CZVKDLLFBYHOAV-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150357;MM150357;C=C(F)CC(=CC)CC;ODXCMXVEHXVQQM-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150358;MM150358;C=C(F)CC(=CC)CN;KIIJHLQYKVYSOA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150359;MM150359;C=C(F)CC(=CF)CN;XQBOLKKXBNDQRK-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150360;MM150360;C=C(F)CC(=CC)CO;CEYBQKZERAMGOF-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150361;MM150361;C=C(F)CC(=CC)CF;LMIOVRKUPMTGNW-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150362;MM150362;C=C(C)CC(CC)=NN;ZHYSZUVSKPDTAK-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150363;MM150363;C=C(C)CC(CC)=NO;DZOGSJBCEATZON-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150364;MM150364;CCC(CC(=N)N)=NN;IFWRQPVHCHRBNO-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150365;MM150365;CCC(CC(=N)N)=NO;LRNGHBWYTCXONT-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150366;MM150366;N=C(N)CC(CO)=NN;YDAWQHVIPIKRGH-UHFFFAOYSA-N;130.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150367;MM150367;N=C(N)CC(CF)=NN;XDPQZSDNOYBPFH-UHFFFAOYSA-N;132.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150368;MM150368;C=CC(C=C(C)CC)=NO;RTUJOVPGNVVTGF-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150369;MM150369;C=c1c(=O)[nH][nH]c(=O)c1=C;HMKHWIAIGJQOTL-UHFFFAOYSA-N;138.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150370;MM150370;CN=c1ncn(O)c(=O)[nH]1;BMZRMWHAWSEYOS-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150371;MM150371;C#CCOC(CF)=NO;CXIMHICOGCQAQN-UHFFFAOYSA-N;131.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150372;MM150372;C=C(F)CC(CC)=NN;WHJUHKFGRQHXQI-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150373;MM150373;C=C(F)CC(CC)=NO;UPDWQYVEKRTQJK-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150374;MM150374;NNC(=O)NC=CC=CF;CJUGRMLQHKYRKO-UHFFFAOYSA-N;145.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150375;MM150375;O=CC=NOC(CO)=NO;XSABKHRTLMJEJZ-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150376;MM150376;C=C(C)CC(=NC)NC;XVGKDQQFLSFWHR-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150377;MM150377;NNC(=O)C=NNCCO;ZZYPEIRAXMFARL-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150378;MM150378;C=C(C)CC(=NO)NO;XTKBEZQBEPXSAM-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150379;MM150379;CN=C(CC(=N)N)NC;QXWHAYAJINHRTO-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150380;MM150380;N=C(N)CC(=NN)NN;AUYWWTDXQSQYKF-UHFFFAOYSA-N;130.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150381;MM150381;N=C(N)CC(=NN)NO;LPGAWERAXPNRMV-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150382;MM150382;N=C(N)CC(=NO)NO;VMUDYEXQKNTUNR-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150383;MM150383;CN=C(CC(N)=O)NC;PZGLZJHIEITUPU-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150384;MM150384;C#CC(CCF)C(=O)NN;HJONOYMFEGDNTG-UHFFFAOYSA-N;144.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150385;MM150385;NC(=O)CC(=NO)NO;RTQPVYXZNYQFHR-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150386;MM150386;C=C(F)C=CC(C#N)=NO;QECDTHAKTBBSNK-UHFFFAOYSA-N;140.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150387;MM150387;C#CCOCC(CO)=NO;PIVWBOBBDBDYPT-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150388;MM150388;C=C(F)CC(=NC)NC;ATHBSUFCRWAXBV-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150389;MM150389;C=C(C)CC(=CC)OC;YTVYMVNNXDELAH-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150390;MM150390;C=C(C)CC(=CF)OC;JUXPOVPRMXGBRC-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150391;MM150391;CC=C(CC(C)=O)OC;FKJMTDKZMOSRDV-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150392;MM150392;COC(=CF)CC(C)=O;PRJMKAQJZXEVHP-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150393;MM150393;CC=C(CC(=N)N)OC;VJRWSJLVLVCYMP-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150394;MM150394;COC(=CF)CC(=N)N;JHMJJXVXQDNWCT-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150395;MM150395;CCC(C#N)C(CO)=NO;DUAQDGOWEAIWFU-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150396;MM150396;C#CC(=O)C(C)(O)C=NO;BTNBRBXMUUQYGG-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150397;MM150397;C=C(F)CC(=CC)OC;WUOAXJRAHSPKSM-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150398;MM150398;C=C(F)CC(=CF)OC;FGHFSBZXBSXJDX-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150399;MM150399;CC(C)C(=CF)C(=O)NN;LZIOXDGJQOCABC-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150400;MM150400;C=C(C)CC(=NO)OC;PCKHOBBDHYEXIV-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150401;MM150401;COC(CC(=N)N)=NN;AYFFCHFEUSIGCC-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150402;MM150402;CC(C#CCC#N)N1CC1;IWCXXLRAOUQKIC-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150403;MM150403;Nn1ncc(O)nc1=O;AHTWWHHJGKUKGB-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150404;MM150404;OCc1ncc[nH]1;ZOMATQMEHRJKLO-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150405;MM150405;CC=C(CC)NC(C)=N;CIGGBUXPOUGTDK-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150406;MM150406;CCC(=CF)NC(C)=N;LOBOUTKJPSAGLV-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150407;MM150407;CC(=N)NC(=CF)CN;UHGSZIJJGCHKKQ-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150408;MM150408;CC(=N)NC(=CF)CO;MUAVMWANMLFDNY-UHFFFAOYSA-N;132.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150409;MM150409;CC=C(CF)NC(C)=N;IFVZSWFYPUOXPC-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150410;MM150410;CC=C(CC)NC(C)=O;TYJNTIWWGWJLOD-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150411;MM150411;CCC(=CF)NC(C)=O;KYQNDFFGBBWIPH-UHFFFAOYSA-N;131.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150412;MM150412;CC=C(CN)NC(C)=O;ATFOLWAHOWEEDJ-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150413;MM150413;CC(=O)NC(=CF)CN;KJQPRMIRTUYMER-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150414;MM150414;CC(=O)NC(=CF)CO;BKFNTFLVFVAQCB-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150415;MM150415;CC=C(CF)NC(C)=O;KXHQLVTULDHPLS-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150416;MM150416;CC(=O)NC(=CF)CF;YDMADVXQXCGSRC-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150417;MM150417;CC=C(CC)NC(=N)N;IIIDXRZMSKUKQR-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150418;MM150418;N=C(N)NC(=CF)CO;ALJBNANMAIJIPE-UHFFFAOYSA-N;133.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150419;MM150419;CC=C(CC)NC(N)=O;PETCBFOUJNUWNV-UHFFFAOYSA-N;128.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150420;MM150420;CCC(=CF)NC(N)=O;PGRQGRNVUPVYAZ-UHFFFAOYSA-N;132.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150421;MM150421;CC=C(CN)NC(N)=O;DLGGEEOVFZZFNU-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150422;MM150422;NC(=O)NC(=CF)CO;GSNHHNAKFGLWRI-UHFFFAOYSA-N;134.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150423;MM150423;C=C(C)NC(CC)=NC;CGWPJFLCHHUHSG-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150424;MM150424;C=C(C)NC(CC)=NN;WUNDIVKPZIENBI-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150425;MM150425;CNNC(=O)C(C)O;MBXIGPHHUWJDFV-UHFFFAOYSA-N;118.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150426;MM150426;C=C(C)NC(CN)=NC;WLSQHTYQETWIGF-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150427;MM150427;CCC(=NC)NC(C)=N;YZWUXLPBLQDLIT-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150428;MM150428;CCC(=NO)NC(C)=N;JXWHHXIQGGXKDJ-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150429;MM150429;CN=C(CO)NC(C)=N;WDIMLNCEMWKCCT-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150430;MM150430;CC(=N)NC(CO)=NN;RRPDELZRVNYPHL-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150431;MM150431;CC(=N)NC(CF)=NN;WCTOGSOGPSXTEM-UHFFFAOYSA-N;132.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150432;MM150432;Cc1nc(F)c(N)[nH]1;YBWXRGXCOKLAPK-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150433;MM150433;CCC(=NN)NC(C)=O;TYGNEVJUGYJNHR-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150434;MM150434;CC(=O)NC(CO)=NN;VHLSXACJHURDSP-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150435;MM150435;CC(=O)NC(CO)=NO;MIAJDWRPCCGYMF-UHFFFAOYSA-N;132.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150436;MM150436;CC(=O)NC(CF)=NN;FPDFKUMPKZQSJO-UHFFFAOYSA-N;133.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150437;MM150437;CCC(=NC)NC(=N)N;KHUXUJSCRORBLJ-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150438;MM150438;CCC(=NN)NC(=N)N;ONEFZXPXLIODGJ-UHFFFAOYSA-N;129.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150439;MM150439;CCC(=NO)NC(=N)N;KNMHDZMPFJWHKO-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150440;MM150440;CN=C(CN)NC(=N)N;OJWHQMVFOBNFKE-UHFFFAOYSA-N;129.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150441;MM150441;CN=C(CO)NC(=N)N;KUOMTQZHIYULSQ-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150442;MM150442;N=C(N)NC(CO)=NN;NHDMJYCSYRWWCD-UHFFFAOYSA-N;131.14;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150443;MM150443;NN=C(CO)NC(N)=O;ZEXXRPKQOZEDCI-UHFFFAOYSA-N;132.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150444;MM150444;CNC(=NN)NC(C)=N;YUMOGZQZSKWPBM-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150445;MM150445;CNC(=NO)NC(C)=N;VVLFAQFFOZOEDW-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150446;MM150446;CC(=N)NC(=NN)NN;CUUMSYQBANDAKD-UHFFFAOYSA-N;130.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150447;MM150447;CC(=N)NC(=NO)NN;ATHMVAYOGPVDJO-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150448;MM150448;CN=C(NO)NC(C)=N;VVLFAQFFOZOEDW-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150449;MM150449;CC(=N)NC(=NN)NO;ATHMVAYOGPVDJO-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150450;MM150450;CC(=N)NC(=NO)NO;FLHWVMZAZRADNX-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150451;MM150451;Nc1nc(F)c(N)[nH]1;SZBIFAOSUUTLOX-UHFFFAOYSA-N;116.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150452;MM150452;CN=C(NN)NC(C)=O;BGWKGAHMMFFSLU-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150453;MM150453;ON=CNCC1CC1;HWCAONZNOLVMBJ-UHFFFAOYSA-N;114.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150454;MM150454;CN1CC(O)(CF)C=N1;REMDREYEVNRTOD-UHFFFAOYSA-N;132.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150455;MM150455;CC(=O)NC(=NO)NO;FWYNHRXAQOVKSE-UHFFFAOYSA-N;133.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150456;MM150456;CN=C(NC)NC(=N)N;ZOQPZFQLRAQEBF-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150457;MM150457;CNC(=NN)NC(=N)N;OXRANKYYAHUABY-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150458;MM150458;CNC(=NO)NC(=N)N;JQLMEDLXYISSET-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150459;MM150459;CN=C(NO)NC(=N)N;JQLMEDLXYISSET-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150460;MM150460;CC=C(NC(C)=N)OC;QDBOVERWDYQPKG-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150461;MM150461;COC(=CF)NC(C)=N;VXCCFBHQPFCICC-UHFFFAOYSA-N;132.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150462;MM150462;CC=C(NC(C)=O)OC;BJKHHPUVRMEMMP-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150463;MM150463;COC(=CF)NC(=N)N;QRSBVSMSVUEERI-UHFFFAOYSA-N;133.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150464;MM150464;CN=C(NC(C)=N)OC;QWRNIPMGRWBHMG-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150465;MM150465;CN=C(NC(C)=O)OC;APDITFXCKLNAFB-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150466;MM150466;COC(=NN)NC(C)=O;AIDQUUUIGMNXAL-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150467;MM150467;COC(=NN)NC(=N)N;DZJLCAAOIIHQQY-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150468;MM150468;C=C(C)OC(=CC)CC;RPGGCEHNEWZSAQ-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150469;MM150469;C=C(C)OC(=CC)CN;JSDYWGMLHCKIPF-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150470;MM150470;C=C(C)OC(=CF)CO;IJCJIEWSGISICA-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150471;MM150471;C=C(C)OC(=CC)CF;NZAJULUXUWROJD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150472;MM150472;C=C(C)OC(=CF)CF;QBBJMQZBNWGXDL-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150473;MM150473;CC=C(CC)OC(C)=O;GCZZMHHPTUKDQE-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150474;MM150474;CC=C(CO)OC(C)=O;OYYRFNUPVWIGEA-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150475;MM150475;CNC(=NO)NC(C)=O;GGBRXOVSHHZIBN-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150476;MM150476;C=C(C)OC(CC)=NO;WDWHYNVCFWSLTE-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150477;MM150477;C=NOCC(O)C(N)=O;ZPLLTMHQQQRWEE-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150478;MM150478;C=CCNNC(=O)NN;SWYNXHITDCAUEQ-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150479;MM150479;Cc1c(O)cnn1N;ZCOKDJOFUQEYIG-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150480;MM150480;CC(=O)OC(CO)=NN;ODHUKNGHKPVTSZ-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150481;MM150481;C=COCOC(=O)NN;SJFXGUBOOOKYSB-UHFFFAOYSA-N;132.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150482;MM150482;CCC(=NO)OC(N)=O;BNFZIUAFBSPHAD-UHFFFAOYSA-N;132.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150483;MM150483;NN=C(CO)OC(N)=O;FBWGHNVMURPRRJ-UHFFFAOYSA-N;133.11;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150484;MM150484;Nn1c(=NO)[nH]n(O)c1=O;RIELGSNDFMSMOL-UHFFFAOYSA-N;147.09;-2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150485;MM150485;NN=C(CF)OC(N)=O;PJQSSHQLMPEVNB-UHFFFAOYSA-N;135.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150486;MM150486;CONC(=NC=O)NO;GXXXAVVKVSDQFI-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150487;MM150487;CNC(=NO)OC(C)=O;CXGPBXLQQCKXMK-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150488;MM150488;CN(C)C(=NO)NC=O;FYTITGCCPYUYMO-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150489;MM150489;N=C1NC(CF)=CC1F;SXTXBQTZGSTUNN-UHFFFAOYSA-N;132.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150490;MM150490;C=CC(=NO)NN1CC1;GMRDWZUZEUHOMS-UHFFFAOYSA-N;127.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150491;MM150491;C#CC(O)(C=NN)CCC;TZGXKNMOJGZXOV-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150492;MM150492;C=C(C#CC)NC(=O)NN;ZJIBBGOWCHTDSL-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150493;MM150493;CNC(=NO)OC(N)=O;ZCHWACHEKCCTSN-UHFFFAOYSA-N;133.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150494;MM150494;C=CC(=CC)CC(=C)C;KWLFYBBPFSTSOY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150495;MM150495;C=CC(=CF)CC(=C)C;HQXOIIJENWZEOT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150496;MM150496;C=C(C)CC(C=O)=CC;SQGRZZBWQOEXFI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150497;MM150497;C=C(C)CC(C#N)=CC;ZZJJOWOUVYBSQQ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150498;MM150498;C=C(C)CC(C#N)=CF;MIOCIXJMHMAYBS-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150499;MM150499;C=CC(=CC)CC(C)=O;SRARDDGYFJSXBG-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150500;MM150500;C=CC(=CF)CC(C)=O;MRVQZIDERCNIGA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150501;MM150501;CC(=O)CC(C#N)=CF;VJFVAZMWRFBFRW-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150502;MM150502;C=CC(=CC)CC(=N)N;GQFNXQXMRJRGKA-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150503;MM150503;CC=C(C#N)CC(=N)N;NUADSLITACUHHO-UHFFFAOYSA-N;123.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150504;MM150504;N=C(N)CC(C=O)=CN;FGLVLYDIXZWEQO-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150505;MM150505;N#CC(=CN)CC(=N)N;MOPZJXDWLJDTSO-UHFFFAOYSA-N;124.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150506;MM150506;CC(=CC#N)CNNC=O;DOYTUYKPXGWVOX-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150507;MM150507;CC=C(C=O)CC(N)=O;KTZKCDZRPXTLIW-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150508;MM150508;CC=C(C#N)CC(N)=O;YJWQTXVEQCCJSK-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150509;MM150509;NC=C(C=O)CC(N)=O;SMMZTQLXSMYSMX-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150510;MM150510;CNNC(=O)N(N)CCO;BPKHXNCDWTWCAB-UHFFFAOYSA-N;148.17;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150511;MM150511;NC(=O)CC(C=O)=CF;JGYFYQFWURRRTJ-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150512;MM150512;C=CC(=CC)CC(=O)O;DASOLOYXOBXRSN-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150513;MM150513;C=CC(=CF)CC(=O)O;WKYSSGMUTQICNY-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150514;MM150514;C=NOC(=NO)C(=O)OC;RVJZWUCEKGHWHG-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150515;MM150515;Cn1nc(O)[nH]c1=NO;AMUZOODVZKZAEJ-UHFFFAOYSA-N;130.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150516;MM150516;C=CC(=CC)CC(=C)F;FHSONSZGRDHLDT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150517;MM150517;C=CC(=CF)CC(=C)F;LXEZIHDXMLRMAH-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150518;MM150518;C=C(F)CC(C=O)=CC;LIPYQCSJLDXPNV-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150519;MM150519;C=C(F)CC(C#N)=CC;NFAQWGOJQQJEQT-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150520;MM150520;C=C(F)CC(C=O)=CN;UUHDFHYAAGEDOO-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150521;MM150521;C=C(F)CC(C#N)=CN;HPXPFKYHCCPWBJ-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150522;MM150522;C=C(F)CC(C=O)=CF;FCIKGEVROHVBKM-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150523;MM150523;C=C(F)CC(C#N)=CF;SDQRWJVYPSUQLC-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150524;MM150524;CC=NOCC(O)C(N)=O;UFYMDZLSZSEBOJ-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150525;MM150525;C=CC(CC(=N)N)=NO;RHERSIZLVTYFMH-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150526;MM150526;Nn1cc(F)n(O)c1=O;LGDVDNOQYYKZDZ-UHFFFAOYSA-N;133.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150527;MM150527;N=c1cc(O)nnn1O;IQIYFVXOJRUHKW-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150528;MM150528;O=Cn1nc(O)c(=O)o1;NFOWYNAADDPPHR-UHFFFAOYSA-N;130.06;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150529;MM150529;C=CC(CC(=C)F)=NN;VPWCZWRWOYOINH-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150530;MM150530;C=CC(CC(=C)F)=NO;ZJKHOIVBFSQQQL-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150531;MM150531;CC1(F)CC(C=O)C1=O;WZSRIDASBWMATH-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150532;MM150532;C=CC(=CC)NC(C)=N;LRYSVBSWDBZZKB-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150533;MM150533;C=CC(=CF)NC(C)=N;OLEYCFUVXWXKJY-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150534;MM150534;CC=C(C#N)NC(C)=N;IURAPLXXQHDSMC-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150535;MM150535;CC(=N)NC(C=O)=CN;BAUQTUIDUHFNGY-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150536;MM150536;C=CC(=CC)NC(C)=O;DBYKFXGOEDHLDL-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150537;MM150537;C=CC(=CF)NC(C)=O;QYPUARQDQYSEOK-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150538;MM150538;CC(=O)NC(C#N)=CN;XHRIJCKGCXJIKD-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150539;MM150539;CC(=O)NC(C=O)=CF;NMEVMRPOECVGSQ-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150540;MM150540;C=CC(=CF)NC(=N)N;SRHPGVJJDJJWCM-UHFFFAOYSA-N;129.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150541;MM150541;C=CC(=CF)NC(N)=O;JDZQLDOIOJUATF-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150542;MM150542;C=CC(=NC(=C)C)NN;PNISTMXWXDYLFJ-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150543;MM150543;C=CC(=NC(=C)C)NO;CNXILAZBGIZAOB-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150544;MM150544;C=NNC(=NC=O)NNC;YLUBQYQRMOBZQR-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150545;MM150545;C=C(CO)OCC(=O)NN;RZNZVSFNHLNCMJ-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150546;MM150546;C=CC(=NO)NC(C)=O;JEIJWPCQCRBWNB-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150547;MM150547;Cn1nc(F)c(=O)n1O;CFLZTLIFMWOZFZ-UHFFFAOYSA-N;133.08;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150548;MM150548;CC(=O)NC(C=O)=NO;ZAXUZLMFWNHXLX-UHFFFAOYSA-N;130.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150549;MM150549;C=CC(=NC)NC(=N)N;ULADAEIFNMETSF-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150550;MM150550;CN=C(C=O)NC(=N)N;FLBQUDHDZUSNPQ-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150551;MM150551;C#CC(=CC(=O)NN)CF;IFNYNJBBMDEIOV-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150552;MM150552;C=CC(=NN)NC(N)=O;RRDLWRBUWPSRMK-UHFFFAOYSA-N;128.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150553;MM150553;C=CC(=NO)NC(N)=O;YJWGRUYOXKFZAQ-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150554;MM150554;NC(=O)NC(C=O)=NO;LAEWFXWRPDHHOP-UHFFFAOYSA-N;131.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150555;MM150555;C=CC(=CC)OC(=C)C;QASOPUFRYOGZRC-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150556;MM150556;C=CC(=CF)OC(=C)C;UCTQMEJNAUHEEI-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150557;MM150557;C=C(C)OC(C=O)=CC;KOIXLFUDCAULMR-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150558;MM150558;C=C(C)OC(C#N)=CC;WQZAMHMCWLPTCA-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150559;MM150559;C=C(C)OC(C#N)=CN;UURLTFARIOCDCO-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150560;MM150560;C=C(C)OC(C=O)=CF;VEFPJEYULXXBAG-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150561;MM150561;C=C(C)OC(C#N)=CF;DYAWIEXTZYZTED-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150562;MM150562;C=CC(=CC)OC(C)=O;WQHLXFMFHYITHY-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150563;MM150563;CC=C(C#N)OC(C)=O;KDWLJRLMMTVSSP-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150564;MM150564;CC(=O)OC(C#N)=CF;OTGVMYGZRTTWBH-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150565;MM150565;CC(CF)N(N)C(=O)NN;XHXZUMDLDKRUFT-UHFFFAOYSA-N;150.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150566;MM150566;C=CC(=NO)OC(=C)C;BWQZROSKKLSPBH-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150567;MM150567;CCC(=N)N(N)C(=O)NN;LRUFYQXGRHMLNL-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150568;MM150568;C=CC(=NO)OC(C)=O;BFHBDCQXWQFLKQ-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150569;MM150569;C=CC(=NO)OC(N)=O;JFZZPKGDSVARSY-UHFFFAOYSA-N;130.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150570;MM150570;C#Cc1n[nH]c(=O)n1O;QBZCZKXWWDHMBK-UHFFFAOYSA-N;125.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150571;MM150571;C#Cc1[nH]c(=O)n(O)c1F;MVXIEESODLYOJZ-UHFFFAOYSA-N;142.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150572;MM150572;C#CC(=CC)CC(=C)C;QOHSJOAFMFDOFE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150573;MM150573;C#CC(=CF)CC(=C)C;AMZKQHWBFRSNFZ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150574;MM150574;C#CC(=CC)CC(C)=O;OVBJYSQUMWUGJG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150575;MM150575;C#CC(=CF)CC(C)=O;QRPODXLRRAFUJB-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150576;MM150576;C#CC(=CC)CC(=N)N;NIGDKWOFOLXRGW-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150577;MM150577;C#CC(=CF)CC(=O)O;UYCXZJMEWJWQKY-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150578;MM150578;C#CC(=CC)CC(=C)F;RPFFVOKDEPKNEC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150579;MM150579;C#CC(=CF)CC(=C)F;RBHIACUJSGERND-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150580;MM150580;C#CC(CC(=N)N)=NN;NVPDKSJRELXAAF-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150581;MM150581;C#CC(CC(=N)N)=NO;HRDVTCJMSGWWOS-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150582;MM150582;C=CC(=O)N(C)C(=O)NN;AUUOAVBAQYXWLQ-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150583;MM150583;C#CC(CC(N)=O)=NO;AYTDFTZEPUMTQL-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150584;MM150584;C=Cc1oc(=O)oc1O;CJQVDXXBPBOVLT-UHFFFAOYSA-N;128.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150585;MM150585;CN=C(C)N(N)C(=O)NN;HRLBZHFVTNOXBS-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150586;MM150586;C#CC(=CC)NC(C)=N;UJMHDKOBQHOVPI-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150587;MM150587;C#CC(=CF)NC(C)=N;YHKWEGFCNJRACO-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150588;MM150588;C#CC(=CC)NC(C)=O;QIOFFRFUYGOMQX-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150589;MM150589;C#CC(=CF)NC(C)=O;LHUJAURESHWQHK-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150590;MM150590;C#CC(=CC)NC(N)=O;GNJXOWZUPVAXDJ-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150591;MM150591;C#CC(=NC)NC(=C)C;WCRGTYNSVHGRAG-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150592;MM150592;C#CC(=NC)NC(C)=N;FKGJJSSHJHIGRA-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150593;MM150593;C#CC(=NN)NC(C)=O;SQSYBWLFPVLMKC-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150594;MM150594;C#CC(=NC)NC(=N)N;LOKXSVXYBDADBU-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150595;MM150595;C#CC(=NC)NC(N)=O;AEBAMZFUNHPZBY-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150596;MM150596;C#CC(=CC)OC(=C)C;MMHOERJCIFYXQB-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150597;MM150597;C#CC(=CF)OC(=C)C;BCPZGXGGNHNPOC-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150598;MM150598;C#CC(=CC)OC(C)=O;MFKZYZQKQICSIU-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150599;MM150599;C#CC(=CF)OC(C)=O;GAWMRKHHGMTOLE-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150600;MM150600;C=CC=NN(C)C(=O)NN;HLWZMEZXFIZDKJ-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150601;MM150601;C#CC(=NO)OC(=C)C;XTYDZEKPHNIHSG-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150602;MM150602;CCC(C=C(C)C)CC;PDHGQPAMXZWGOE-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150603;MM150603;CCC(C=C(C)C)CN;STVPVSYLASRFMO-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150604;MM150604;NNC(=O)OCCOC=O;NBSGKYRFEKPXKK-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150605;MM150605;CC(C)=CC(CN)CF;HTBUQHOUKWCDLD-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150606;MM150606;CC(C)=CC(CO)CO;YQTKCLNJGUKQRI-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150607;MM150607;CC(C)=CC(CF)CF;HBSVVFCBQWQGAJ-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150608;MM150608;CCC(C=C(C)F)CC;GTCCKADLFXVDLI-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150609;MM150609;CCC(C=C(C)F)CN;LJDYSCQGDXEYPB-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150610;MM150610;CCC(C=C(C)F)CF;OLRKGFSRJAMQFR-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150611;MM150611;CC(F)=CC(CN)CN;BFDFWJBPMZOBEL-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150612;MM150612;CC(F)=CC(CN)CO;LCNUXVPFCXBANW-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150613;MM150613;CC(F)=CC(CN)CF;QJHRJRFGKMJNIQ-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150614;MM150614;CC(F)=CC(CF)CF;DIQZCZQQHZAGFV-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150615;MM150615;CCC(C=C(F)F)CC;QNJSNFDISMZGND-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150616;MM150616;CCC(C=C(F)F)CN;HIIKBPYSQWJUMR-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150617;MM150617;CCC(C=C(F)F)CO;MTCPNBRMQTURFE-UHFFFAOYSA-N;136.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150618;MM150618;NCC(C=C(F)F)CN;NYOYRWBFQCRZNY-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150619;MM150619;NCC(C=C(F)F)CF;HIZGPWMYWSJZPK-UHFFFAOYSA-N;139.12;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150620;MM150620;FCC(C=C(F)F)CF;VENGTVRNFDVEEY-UHFFFAOYSA-N;142.1;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150621;MM150621;CCC(C=C(C)C)NC;LTFCZCOMAYRQQD-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150622;MM150622;CNC(C=C(C)C)CN;HWAQIKNRZLLYFL-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150623;MM150623;CCC(C=C(C)F)NC;RKWJMYVVDRUEAB-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150624;MM150624;CNC(C=C(C)F)CN;LBSTXSQRRHGPHE-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150625;MM150625;CCC(C=C(F)F)NC;OJWIUVZDRAMIDB-UHFFFAOYSA-N;135.16;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150626;MM150626;CNC(C=C(F)F)CN;BIXGGLOQVPEUCA-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150627;MM150627;CCC(C=C(C)C)OC;OGOLTVKMRGQRKV-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150628;MM150628;COC(C=C(C)C)CO;JMRBVRMIVIEFFE-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150629;MM150629;COC(C=C(C)C)CF;FDJIZEYYRDBIDJ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150630;MM150630;CCC(C=C(C)F)OC;JBWKPTTUHIVRLG-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150631;MM150631;COC(C=C(F)F)CO;OWFNOTRBUKHLHB-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150632;MM150632;COC(C=C(C)C)OC;XVOCYIHGQROGNT-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150633;MM150633;COC(C=C(C)F)OC;FIBRDCSUBXEGLC-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150634;MM150634;COC(C=C(F)F)OC;UDSFDVHZTCQSTF-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150635;MM150635;CCN(CC)N=C(C)C;GGVIFVVMUPEGHJ-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150636;MM150636;C=CC(C=C(C)C)CC;VQWITPFOYMKHFY-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150637;MM150637;CCC(C=O)C=C(C)C;SXIBXMYMYAPCKI-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150638;MM150638;CCC(C#N)C=C(C)C;XSQCTSBIVIRONU-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150639;MM150639;C=CC(C=C(C)C)CN;XYZXOYXHGNCBDO-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150640;MM150640;NNC(=O)COC=CCO;DKJKCKDCSOEBEX-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150641;MM150641;CC(C)=CC(C#N)CO;PLRFYXJHHCXNHU-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150642;MM150642;CC(C)=CC(C=O)CF;KZXJJCOTRNNNDJ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150643;MM150643;CC(C)=CC(C#N)CF;ROKAYCUDGILWPP-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150644;MM150644;C=CC(C=C(C)F)CC;WHOIJAZJRPSIIH-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150645;MM150645;CCC(C=O)C=C(C)F;OECHTUJRQYAPEO-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150646;MM150646;CCC(C#N)C=C(C)F;DKRMHQGFUBDVTM-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150647;MM150647;C=CC(C=C(C)F)CN;ROEJQGLXVLCKQL-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150648;MM150648;C=CC(C=C(C)F)CO;CNTGDBDYXKIPBW-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150649;MM150649;C=CC(C=C(C)F)CF;WGIIBNPWLGEQSC-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150650;MM150650;CC(F)=CC(C=O)CF;MSZMLYGVEIWFPR-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150651;MM150651;CC(F)=CC(C#N)CF;RVELBESEHBFDDT-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150652;MM150652;C=CC(C=C(F)F)CC;CMLFVUUIAADBLM-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150653;MM150653;CCC(C=O)C=C(F)F;MSKPVDCGMRPZID-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150654;MM150654;CCC(C#N)C=C(F)F;SYFYJARRXDEEKY-UHFFFAOYSA-N;131.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150655;MM150655;C=CC(C=C(F)F)CN;NBANCDLLJSEFLT-UHFFFAOYSA-N;133.14;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150656;MM150656;C=CC(C=C(F)F)CO;HWYBZUPUYCXZKZ-UHFFFAOYSA-N;134.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150657;MM150657;C=CC(C=C(F)F)CF;QZKWVUIMLPBJCW-UHFFFAOYSA-N;136.12;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150658;MM150658;O=CC(C=C(F)F)CF;YYHGLMLLYYXQCH-UHFFFAOYSA-N;138.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150659;MM150659;CNC(C#N)C=C(C)F;KZKCSFJZKADRGD-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150660;MM150660;C=CC(C=C(C)C)OC;KOBJLHXVQKHFFA-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150661;MM150661;COC(C#N)C=C(C)C;OGLJKAZFMKHSHF-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150662;MM150662;C=CC(C=C(C)F)OC;WFTPHIHPKRVIEB-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150663;MM150663;COC(C=O)C=C(C)F;QEHQVAJDSFCWAT-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150664;MM150664;COC(C#N)C=C(C)F;HULHLVFMGFMMBF-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150665;MM150665;C=CC(C=C(F)F)OC;HFSZPZXMUKVNNV-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150666;MM150666;COC(C#N)C=C(F)F;FBJAXPHUDZXWTA-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150667;MM150667;CCN(C=N)C=C(C)C;DVHGEPFOFJLKOA-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150668;MM150668;CCN(C=O)C=C(C)C;KJHTWRCYNBNOQJ-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150669;MM150669;CCN(C=O)C=C(C)F;LOFFRQZFTCQFRM-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150670;MM150670;CCN(C=O)C=C(F)F;QLKBEHHGUWJEDE-UHFFFAOYSA-N;135.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150671;MM150671;CNN(C=O)C=C(C)F;RDGNRHMKUORPAP-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150672;MM150672;CON(C=N)C=C(C)C;BRWPECRGTWUKCX-UHFFFAOYSA-N;128.18;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150673;MM150673;CON(C=O)C=C(C)F;IRROSVFPHCYREH-UHFFFAOYSA-N;133.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150674;MM150674;CCN(C=O)N=C(C)C;VNBSVWDXGFKOGZ-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150675;MM150675;C#CC(C=C(C)C)CC;QNUGEEUQQOYJHQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150676;MM150676;C#CC(C=C(C)C)CF;JJIZFWWDXGHHSV-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150677;MM150677;C#CC(C=C(C)F)CC;WDUZTEUNLNGDTA-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150678;MM150678;C#CC(C=C(F)F)CC;SEVVIOLOSTWOQG-UHFFFAOYSA-N;130.14;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150679;MM150679;C#CC(C=C(F)F)CN;WXEZAZGYIJWEFT-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150680;MM150680;C#CC(C=C(F)F)CF;ONCUOFZLNFMEFW-UHFFFAOYSA-N;134.1;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150681;MM150681;C#CC(C=C(C)C)OC;PTVRXJHOENXKPV-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150682;MM150682;C#CC(C=C(C)F)OC;ORNFEFRSRWJBSH-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150683;MM150683;C=CC(C=C)C=C(C)C;XPUNFOKWWLLVQP-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150684;MM150684;C=CC(C=O)C=C(C)C;ZCDZAIOKLXRALZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150685;MM150685;C=CC(C#N)C=C(C)C;GLIHRWHRKZBHCG-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150686;MM150686;CC(C)=CC(C#N)C#N;JZFZCSMUEPBFAN-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150687;MM150687;C=CC(C=C)C=C(C)F;VXCVSMXJKBVXNF-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150688;MM150688;C=CC(C=O)C=C(C)F;XOPQYQZNRVNAPR-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150689;MM150689;C=CC(C#N)C=C(C)F;DAICWJYORLEYFT-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150690;MM150690;CC(F)=CC(C#N)C#N;UPHMFDNXJFMTLB-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150691;MM150691;C=CC(C=C)C=C(F)F;OLBQQPOCYMBEQC-UHFFFAOYSA-N;130.14;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150692;MM150692;C=CC(C=O)C=C(F)F;HNMGDMFQQHAXTK-UHFFFAOYSA-N;132.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150693;MM150693;C=CC(C#N)C=C(F)F;DTZWXGFDYWOVAT-UHFFFAOYSA-N;129.11;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150694;MM150694;N#CC(C#N)C=C(F)F;BBIQJCCXXMAXEE-UHFFFAOYSA-N;128.08;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150695;MM150695;C=CN(C=N)C=C(C)C;BKJSFCVMZAIAHS-UHFFFAOYSA-N;124.19;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150696;MM150696;C=CN(C=O)C=C(C)C;ROHPXVUINVRQGU-UHFFFAOYSA-N;125.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150697;MM150697;C=CN(C=N)C=C(C)F;KMEJRBUSIKMZMA-UHFFFAOYSA-N;128.15;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150698;MM150698;C=CN(C=O)C=C(C)F;QMTIZQWRZYZMKF-UHFFFAOYSA-N;129.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150699;MM150699;CC(F)=CN(C=N)C=O;UWUYMDOELPFGAA-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150700;MM150700;CC(F)=CN(C=O)C=O;LJOPAUYFUYOPNR-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150701;MM150701;C=CN(C=O)C=C(F)F;WJVOREXMSZLJKG-UHFFFAOYSA-N;133.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150702;MM150702;N=CN(C=N)C=C(F)F;ZLSOPCDSUCSSIM-UHFFFAOYSA-N;133.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150703;MM150703;N=CN(C=O)C=C(F)F;SWOALBJHYLBXLK-UHFFFAOYSA-N;134.09;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150704;MM150704;C=NN(C=O)C=C(C)F;OYICLQIFILPGOX-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150705;MM150705;C=CN(C=N)N=C(C)C;DGHAFQLVDVGABD-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150706;MM150706;C=CN(C=O)N=C(C)C;URECHYHONZHUKH-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150707;MM150707;CC(C)=NN(C=N)C=O;VQVQVSXGZDDYIA-UHFFFAOYSA-N;127.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150708;MM150708;C#CC(C=C)C=C(C)C;OXEDLTBXPDSNST-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150709;MM150709;C#CC(C=C)C=C(C)F;GXUMEMNUXPMPKA-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150710;MM150710;C#CC(C=O)C=C(C)F;BNKJBAPTOXTSMZ-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150711;MM150711;C#CC(C=C)C=C(F)F;XHTXCKKWBJZANO-UHFFFAOYSA-N;128.12;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150712;MM150712;C#CC(C#C)C=C(C)C;MKWOPSZYUYAECK-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150713;MM150713;C#CC(C#C)C=C(C)F;BJBHHXWBQGLDRV-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150714;MM150714;C#CC(C#C)C=C(F)F;LBNWNPDATKHJRZ-UHFFFAOYSA-N;126.11;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150715;MM150715;CC=C(C=C(C)C)CC;AXERXJKSBPUIFW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150716;MM150716;CCC(C=C(C)C)=CF;ODINABLPSUBOQM-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150717;MM150717;CC=C(C=C(C)C)CN;OFINXYRBUAXONK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150718;MM150718;CC(C)=CC(=CF)CN;SLGLJNPIRNWJNN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150719;MM150719;CC=C(C=C(C)C)CO;JAHZOVOPJKZQBD-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150720;MM150720;CC=C(C=C(C)C)CF;VFSLFMNREMSGOU-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150721;MM150721;CC(C)=CC(=CF)CF;PTKFQLOILYVOSQ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150722;MM150722;CC=C(C=C(C)F)CC;IYOBIPJZIOLKEU-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150723;MM150723;CCC(C=C(C)F)=CF;DBOCXSYXYGGDRE-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150724;MM150724;CC=C(C=C(C)F)CN;VXAKMSHTTCIVJU-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150725;MM150725;CC(F)=CC(=CF)CN;YQQOCHVDQYEWEF-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150726;MM150726;CC=C(C=C(C)F)CO;YYTSSZIOTLKMIX-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150727;MM150727;CC=C(C=C(C)F)CF;RRALDZXLTYPZSG-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150728;MM150728;CC(F)=CC(=CF)CF;SLUNPIXLMRBFEL-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150729;MM150729;CC=C(C=C(F)F)CC;WAINXZUJLCCTLK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150730;MM150730;CC=C(C=C(F)F)CN;CHBWIGSGQBUUHM-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150731;MM150731;NCC(C=C(F)F)=CF;MBCLZJQWWRNKIP-UHFFFAOYSA-N;137.1;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150732;MM150732;CC=C(C=C(F)F)CO;UFCTZXKBAIXHCV-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150733;MM150733;FC=C(C=C(F)F)CF;LFASDLRBZWDUAS-UHFFFAOYSA-N;140.08;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150734;MM150734;CCC(C=C(C)C)=NN;MFBFOOPNWRWRQJ-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150735;MM150735;COC=COCC(=O)NN;XGGUIRSZRSEFEG-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150736;MM150736;CC(C)=CC(CF)=NN;WWXJIVCZNTUYBE-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150737;MM150737;CC(N)=CC(CN)=NO;ZMHYVKMAEGWMSY-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150738;MM150738;CC(N)=CC(CO)=NO;PMBORNLKHDRSHE-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150739;MM150739;CCC(C=C(C)F)=NN;CBPBHUYYNCPWMW-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150740;MM150740;CCC(C=C(C)F)=NO;YBLOUZXVMVRLAW-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150741;MM150741;NNC(=O)NCC#CCO;YRZYXXGJNXGOJQ-UHFFFAOYSA-N;143.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150742;MM150742;NCC(C=C(N)N)=NO;UBLJAKCZWSXOHV-UHFFFAOYSA-N;130.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150743;MM150743;NC(N)=CC(CO)=NO;UKTLFVRHARTVCX-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150744;MM150744;CCC(C=C(F)F)=NN;ZTUUCWKVOPDOHQ-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150745;MM150745;O=c1nc(O)ccn1O;YLDISKWYZFVQIK-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150746;MM150746;NN=C(C=C(F)F)CF;SYXOHBWQRGIFMM-UHFFFAOYSA-N;138.09;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150747;MM150747;CN=C(C=C(C)C)NC;NGLOUTZKWATYNP-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150748;MM150748;CN=C(C=C(C)C)NO;NFHFKYYCCCWPKM-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150749;MM150749;CC(C)=CC(=NO)NO;UNIBVYKBDKIOKK-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150750;MM150750;CN=C(C=C(C)N)NO;FJIGLWAMXIDZJV-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150751;MM150751;C=NN(C)CC#CCC#N;BDLFHQCLBONYLK-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150752;MM150752;CNN(CCF)C(=O)NN;HTHYTCZYJFOKJF-UHFFFAOYSA-N;150.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150753;MM150753;CN=C(C=C(C)F)NC;QIBAJFOQPAADKF-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150754;MM150754;CN=C(C=C(N)N)NC;KODGTPLYPJLSGX-UHFFFAOYSA-N;128.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150755;MM150755;C=NN=C(CC)C(=O)NN;IAMXRMBABGEXSQ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150756;MM150756;CN(C)C(C#N)C(O)C=O;OWVRWKMHHMBSQS-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150757;MM150757;CC=NNCC#CCC#N;ZVYASALAEHJNSR-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150758;MM150758;CC=C(C=C(C)C)OC;CVQOISOVBVCPTB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150759;MM150759;COC(C=C(C)C)=CF;PMDVBUFUSSWRFE-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150760;MM150760;CC=C(C=C(C)F)OC;OQKFYZVNQDZBJY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150761;MM150761;COC(C=C(C)F)=CF;QDKKYLOUTFWJMP-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150762;MM150762;CC=C(C=C(F)F)OC;SHUWLDCTTILKNU-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150763;MM150763;COC(C=C(F)F)=CF;YUHWSYJOZRRQOK-UHFFFAOYSA-N;138.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150764;MM150764;CCC(C#N)C#CC1CN1;FMFJOCSWLHISQZ-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150765;MM150765;COC(C=C(C)C)=NO;HXCXKFOIKBASGS-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150766;MM150766;C#CC(O)(C=NN)CC;FAPDRCXSSLDREQ-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150767;MM150767;CC1(C)OC1C(=O)NN;FUCJKBAHBDOPQY-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150768;MM150768;COC(C=C(N)N)=NO;RRHHTSKEFXOKQR-UHFFFAOYSA-N;131.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150769;MM150769;O=CNNCC(O)C=O;JUXZMRCYKIKNMC-UHFFFAOYSA-N;132.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150770;MM150770;C=CC(C=C(C)C)=CC;ONPGLHRZJUKDKN-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150771;MM150771;C=CC(C=C(C)C)=CF;PRURQPXVGBSWHT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150772;MM150772;CC=C(C=O)C=C(C)C;ZSTKTGYVEAQPSK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150773;MM150773;CC=C(C#N)C=C(C)C;VOZRYZUSEZZYON-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150774;MM150774;CC(C)=CC(C#N)=CF;YXFBASPDFUMWAH-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150775;MM150775;C=CC(C=C(C)F)=CC;SXWIJINMUDJDKN-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150776;MM150776;C=CC(C=C(C)F)=CF;YZDWYFHZEWNUIV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150777;MM150777;CC=C(C=O)C=C(C)F;HUURMSPNLZCUON-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150778;MM150778;CC=C(C#N)C=C(C)F;JIRIZNKYRAMTIA-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150779;MM150779;CC(F)=CC(C#N)=CN;RESHBEWONMIXPS-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150780;MM150780;CC(F)=CC(C=O)=CF;XOSIQRGZNZEDMR-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150781;MM150781;CC(F)=CC(C#N)=CF;OSCUCNJVBNPOOE-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150782;MM150782;C=CC(C=C(F)F)=CC;CQGDRBOYXZLZHZ-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150783;MM150783;C=CC(C=C(F)F)=CF;LDALMAFXQQXJRY-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150784;MM150784;CC=C(C=O)C=C(F)F;SCRAVDIQNGVYPD-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150785;MM150785;CC=C(C#N)C=C(F)F;AZOBVWFWDCKTEN-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150786;MM150786;NC=C(C=O)C=C(F)F;ZTPASVRZGBFRRM-UHFFFAOYSA-N;133.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150787;MM150787;N#CC(C=C(F)F)=CN;QEOKJGUFALYJHG-UHFFFAOYSA-N;130.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150788;MM150788;N#CC(C=C(F)F)=CF;VIWDPHZGXQAEEF-UHFFFAOYSA-N;133.07;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150789;MM150789;C=CC(C=C(C)C)=NN;SGCPUZNIWRXHDX-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150790;MM150790;NN=CC#CC(O)CF;GLCLMUNGJKOABT-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150791;MM150791;CC(=N)C=C(C=O)NO;SFSXTFILCZAEKJ-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150792;MM150792;C=CC(C=C(C)F)=NN;JLSZVIHGGSODBY-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150793;MM150793;C=CC(C=C(C)F)=NO;JPQCPPQKVOEYKU-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150794;MM150794;CC(C)c1n[nH]c(=O)n1O;UVDHSNHHPCICLR-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150795;MM150795;N=C(N)C=C(C=O)NO;ZCIGKGIQGGFTPZ-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150796;MM150796;C=C(F)C(=O)NOCC#N;ANLRCNIDWCUBDS-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150797;MM150797;C#CC(C=C(C)C)=CC;GGAXXGBCCJZNAX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150798;MM150798;C#CC(C=C(C)C)=CF;CRWHTGCFYUSORF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150799;MM150799;C#CC(C=C(C)F)=CC;VZYPWUNJQQNNOC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150800;MM150800;C#CC(C=C(C)F)=CF;FNFDJBKAFWFWAE-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150801;MM150801;C#CC(C=C(F)F)=CC;UISFCAIEUFLUDA-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150802;MM150802;C#CC(C=C(C)C)=NN;YVHPCDPKQFZFRZ-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150803;MM150803;N=C1C(F)=C(N)CN1O;OOYXOHZMYKFPDG-UHFFFAOYSA-N;131.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150804;MM150804;C#CC(C=C(C)F)=NN;SBMSVHYVZFPIAA-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150805;MM150805;C#CC(C=C(C)F)=NO;MYSORJCKFSATGF-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150806;MM150806;O=CC(F)C1(C=O)CN1;QTXBPOJGKBOKQT-UHFFFAOYSA-N;131.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150807;MM150807;C#CC(C=C(F)F)=NN;ODNHHAAZWPKWDX-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150808;MM150808;CCC(=CC(C)C)CC;AIVKLDBJFBNRRO-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150809;MM150809;CCC(=CC(C)C)CN;YQXQXVIQYQPACQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150810;MM150810;C=CC1=NOC(=NN)C1;FMMJFWNQMZLOLB-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150811;MM150811;CCC(=CC(C)C)CF;AFEGGMJRGNLOCZ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150812;MM150812;CCC(=CC(C)N)CC;UASWMLUTDABCDB-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150813;MM150813;CCC(=CC(C)N)CO;OZCBBLPHQRIIIV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150814;MM150814;CCC(=CC(C)N)CF;JFWSQYAJQYTMHM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150815;MM150815;CC(N)C=C(CN)CN;GWGGLWDLVYSVDW-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150816;MM150816;CC(N)C=C(CN)CO;MDGBUCCGRKWCCJ-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150817;MM150817;CC(N)C=C(CN)CF;YEINBTRHRNTRBU-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150818;MM150818;CC(N)C=C(CO)CO;OIQRKIWISMKLCX-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150819;MM150819;CC(N)C=C(CF)CF;MNAJIZINTLIULW-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150820;MM150820;CCC1CN1C(C)=NO;DWIZVTBZKXUGFV-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150821;MM150821;CCC(=CC(C)O)CN;GRMJPERZYXWSTR-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150822;MM150822;CCC(=CC(C)O)CO;FULIDQPAZIBWEW-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150823;MM150823;CCC(=CC(C)O)CF;MAJWOAUANJTUIT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150824;MM150824;CC(O)C=C(CN)CN;FUDMELYTJAAHKY-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150825;MM150825;CC(O)C=C(CN)CF;XAMBDDORLQHIMK-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150826;MM150826;CC(O)C=C(CO)CO;AERRQQFSVBVVML-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150827;MM150827;CCC(=CC(C)F)CC;QYFLYQPUDNWYCR-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150828;MM150828;CCC(=CC(C)F)CN;SAEICJKXHADOKY-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150829;MM150829;CCC(=CC(C)F)CF;SEZMTARHVVWNFB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150830;MM150830;CC(F)C=C(CN)CO;VIRHBWBPOGRODD-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150831;MM150831;CC(F)C=C(CO)CO;TUYINSIKTFTGRF-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150832;MM150832;CC(F)C=C(CF)CF;NNMDCNNUDABFJW-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150833;MM150833;CCC(=CC(F)F)CC;NACYZVXUCPVUME-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150834;MM150834;NCC(=CC(F)F)CN;GFQXWTUUHHCELW-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150835;MM150835;NCC(=CC(F)F)CO;UJWZXPGADJHRNR-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150836;MM150836;NCC(=CC(F)F)CF;DBSSGZVKWRHCQO-UHFFFAOYSA-N;139.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150837;MM150837;FCC(=CC(F)F)CF;LIYSLKKOEXRDBR-UHFFFAOYSA-N;142.1;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150838;MM150838;CCC(=CC(C)C)OC;JRMLMYRONIPTPX-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150839;MM150839;COC(=CC(C)C)CO;SCFSAIQNRYRXLN-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150840;MM150840;CCC(=CC(C)N)OC;PQPCTWBJOQDYQJ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150841;MM150841;COC(=CC(C)N)CN;PCYBBGLBOVEHFS-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150842;MM150842;COC(=CC(C)N)CO;NAMKWNBSSLYIQB-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150843;MM150843;CCC(=CC(C)O)OC;JGGCWYBTKDMLSY-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150844;MM150844;COC(=CC(C)O)CN;RMINSLYJPIDSTN-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150845;MM150845;COC(=CC(C)O)CO;PLJVOWFPWWBSPJ-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150846;MM150846;CCC(=CC(C)F)OC;YVRYWWIXDULRKP-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150847;MM150847;COC(=CC(C)F)CO;VMOQERIYEHZNED-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150848;MM150848;CCC(=CC(F)F)OC;LOLGYGNORCAWNK-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150849;MM150849;CNC(=NC(C)C)NN;XBPWVRRHOMCCDH-UHFFFAOYSA-N;130.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150850;MM150850;CCC(CC)=NN(C)C;LXFGNBFOJJSPPZ-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150851;MM150851;N#CCC#CCN1CC1;BDBKYDRGTXTMTF-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150852;MM150852;COC(CF)=NN(C)C;UJHJTQRJVKJICI-UHFFFAOYSA-N;134.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150853;MM150853;CNC(=NN(C)C)NC;YYADYYXFIWHPKV-UHFFFAOYSA-N;130.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150854;MM150854;CN(C)N=C(NN)NN;FAIHDAFDDARKMO-UHFFFAOYSA-N;132.17;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150855;MM150855;CN(C)N=C(NN)NO;FXUPKQSISXKUIF-UHFFFAOYSA-N;133.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150856;MM150856;COC(=NN(C)C)NN;VHHJMYZAKZZIRO-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150857;MM150857;CC1CC1(F)CC(=O)NN;BLZONQPZYBUYPA-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150858;MM150858;C=CC(=CC(C)C)CC;GFENYOPWKOIRQS-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150859;MM150859;CCC(C=O)=CC(C)C;JBGRAQBQMATPJJ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150860;MM150860;CCC(C#N)=CC(C)C;AYXMYGSHXCYJBM-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150861;MM150861;C=CC(=CC(C)C)CN;VPSAINRHRRRRDZ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150862;MM150862;C=CC(=CC(C)C)CO;QCAFYQFOXZISEN-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150863;MM150863;CC(C)C=C(C=O)CO;VEBLACPJZOQDBH-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150864;MM150864;C=CC(=CC(C)C)CF;LHZQEOVBKBEHJE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150865;MM150865;CC(C)C=C(C#N)CF;FSYREZIZLPLYSV-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150866;MM150866;C=CC(=CC(C)N)CC;CCTLMAFIQPVRMG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150867;MM150867;C=CC(=CC(C)N)CF;NGGQLGJBHZTHEF-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150868;MM150868;CNC(=O)CNNC(N)=O;MICCOIOGMQHESC-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150869;MM150869;CCC(C#N)=CC(C)O;OCXBNPSILVNCBH-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150870;MM150870;CC(O)C=C(C=O)CO;DRJSYCZZTJRDJI-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150871;MM150871;CC(O)C=C(C#N)CO;NPGWRBXYEPNJJQ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150872;MM150872;C=CC(=CC(C)O)CF;OZPXEFRRCRMPKK-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150873;MM150873;C=CC(=CC(C)F)CC;NXSICVLPPUBRJF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150874;MM150874;CCC(C=O)=CC(C)F;WUZVSZSDHPQFJY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150875;MM150875;CCC(C#N)=CC(C)F;RFLYZIBKBPCRMV-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150876;MM150876;C=CC(=CC(C)F)CN;VIWHXOFTVMKOTE-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150877;MM150877;C=CC(=CC(C)F)CO;WJZXZPLNCBJKJP-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150878;MM150878;C=CC(=CC(C)F)CF;FPPPCIISRAAZDW-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150879;MM150879;CC(F)C=C(C#N)CF;ADSDACVBAQJPFE-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150880;MM150880;C=CC(=CC(F)F)CC;XTDNJGZBYRNNHV-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150881;MM150881;CCC(C=O)=CC(F)F;ZDFMNMXPGTVYQW-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150882;MM150882;CCC(C#N)=CC(F)F;NLTPHIBJBJFYMI-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150883;MM150883;C=CC(=CC(F)F)CO;RQBMARPBBKALEQ-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150884;MM150884;N#CC(=CC(F)F)CO;ZPYFGCUPRSRSDB-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150885;MM150885;C=CC(=CC(F)F)CF;JNNGRRSYMQFETQ-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150886;MM150886;N#CC(=CC(F)F)CF;RTRMLXPEUXQXLW-UHFFFAOYSA-N;135.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150887;MM150887;C=CC(=CC(C)C)OC;BOZYNXKYQHNDHL-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150888;MM150888;C=CC(=CC(C)N)OC;KIZZGCAWXQVLNK-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150889;MM150889;C=CC(=CC(C)O)OC;VPXSMVXRTNNHBM-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150890;MM150890;COC(C#N)=CC(C)O;GSQBAUIPWFEVMF-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150891;MM150891;C=CC(=CC(C)F)OC;VMOGEPRVUPPNAL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150892;MM150892;COC(C=O)=CC(C)F;UOWGWLYAAZJJCZ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150893;MM150893;COC(C#N)=CC(C)F;BAXKHCBWCBVHQF-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150894;MM150894;COC(C=O)=CC(F)F;ZYRQCGVXRHTBAX-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150895;MM150895;COC(C#N)=CC(F)F;KGOMVPUGMSBGBI-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150896;MM150896;CCC(C#N)=CN(C)C;YPIDUEJICYOEGJ-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150897;MM150897;CN(C)C=C(C=O)CO;CRJYSYKPAQNPGH-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150898;MM150898;CN(C)C=C(C=O)CF;GGDCQVDUGJAALI-UHFFFAOYSA-N;131.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150899;MM150899;COC(C=O)=CN(C)C;RQHGOEZWYCFGCY-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150900;MM150900;CCC(C#N)=NN(C)C;KNBQSTHMYFRZFR-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150901;MM150901;CN(C)N=C(C#N)CO;BBSATYALSFWAKU-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150902;MM150902;C=CC(CF)=NN(C)C;JPQXSFGGRHRZES-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150903;MM150903;C=CC(=NN(C)C)OC;OOFMYEJHXAWGDZ-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150904;MM150904;C#CC(=CC(C)C)CC;BWVZSXOPLCAPEV-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150905;MM150905;C#CC(=CC(C)C)CN;ZTMSCFQXWUTDQJ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150906;MM150906;C#CC(=CC(C)C)CF;XYLYYTBYPDASFQ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150907;MM150907;C#CC(=CC(C)N)CC;LOXGGRMWCLXJNK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150908;MM150908;C#CC(=CC(C)N)CN;HVCNIXPERKJEKT-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150909;MM150909;CN(C)NC(=O)N(C)C=N;BCXYCFKXYCCIQG-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150910;MM150910;C#CC(=CC(C)F)CC;KBBIZADQWZYGEQ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150911;MM150911;C#CC(=CC(C)F)CF;FIPDJRZBFOLJDN-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150912;MM150912;C#CC(=CC(F)F)CC;RQZSQLMKSLYKGG-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150913;MM150913;C#CC(=CC(F)F)CF;DLYSIMYCBJUZEK-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150914;MM150914;C#CC(=CC(C)C)OC;XNZQNTNFTHOVTR-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150915;MM150915;C#CC(=CC(C)F)OC;NBLVVJZCIZEHRD-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150916;MM150916;C#CC(=CC(F)F)OC;ZRDDXDBCTPAIQT-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150917;MM150917;C=C(C(N)=O)C(=O)NNC;ZPPLNCCHRJBPIK-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150918;MM150918;C=CC(C=C)=CC(C)C;UQZLHKUIPAAYDQ-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150919;MM150919;C=CC(C=O)=CC(C)C;GZIRBALODNOEQH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150920;MM150920;C=CC(C#N)=CC(C)C;BRIQDWNYPAQPDU-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150921;MM150921;CC(C)C=C(C#N)C#N;QJVQEWMEWWZHHF-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150922;MM150922;C=CC(C=C)=CC(C)N;FTOVJZKOQVABQS-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150923;MM150923;NNC(=O)CCC(F)CF;SDAJSBDFMAANKO-UHFFFAOYSA-N;152.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150924;MM150924;C=CC(C=O)=CC(C)O;JCNRKSKHTWXYBR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150925;MM150925;C=CC(C#N)=CC(C)O;NMHJVMDGURGJJB-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150926;MM150926;C=CC(C=C)=CC(C)F;HQEFXHGFRUIYNR-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150927;MM150927;C=CC(C=O)=CC(C)F;YGBZVZLDMNXSOG-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150928;MM150928;C=CC(C#N)=CC(C)F;XOLTYMNTGBXBAY-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150929;MM150929;C=CC(C=C)=CC(F)F;PFPHFPINMRDDON-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150930;MM150930;C=CC(C=O)=CC(F)F;WMYHJXZSMOEYDO-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150931;MM150931;C=CC(C#N)=CC(F)F;ZJXUWDSMOVNUTA-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150932;MM150932;N#CC(C#N)=CC(F)F;NRTKFARMKVVALR-UHFFFAOYSA-N;128.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150933;MM150933;C=CC(C#N)=CN(C)C;SCRHDIXRGIIGGM-UHFFFAOYSA-N;122.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150934;MM150934;CN(C)N=C(C#N)C=O;KPKMZJNXKLZOHD-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150935;MM150935;C#CC(C=C)=CC(C)C;ZPRAJPWPSJGIII-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150936;MM150936;C#CC(C#N)=CC(C)C;WHFYPKURZOADKG-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150937;MM150937;C#CC(C=C)=CC(C)N;AZAUSVQNBVDYEW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150938;MM150938;CN(NCCF)C(=O)NN;GOEBXNJXJDSNRZ-UHFFFAOYSA-N;150.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150939;MM150939;C#CC(C#N)=CC(C)O;ADZSXSOFFKZTFX-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150940;MM150940;C#CC(C=C)=CC(C)F;BFPRNQFSJDICQF-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150941;MM150941;C#CC(C#N)=CC(C)F;VNJLKFSYPJUHQU-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150942;MM150942;C#CC(C=C)=CC(F)F;FXHFGCYXUXKFGY-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150943;MM150943;C#CC(C=O)=CC(F)F;YFVFYUNPSGMMSS-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150944;MM150944;C#CC(C#N)=CC(F)F;FIPMWGWQXWCXOQ-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150945;MM150945;C#CC(C=C)=NN(C)C;FQCMWXCCODVGSG-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150946;MM150946;C#CC(C=O)=NN(C)C;PPHKEGLGMGYOPJ-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150947;MM150947;C#CC(C#N)=NN(C)C;MEHWBPCAXAAFBQ-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150948;MM150948;C#CC(C#C)=CC(C)C;XKDSGTVYDBCFPE-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150949;MM150949;C#CC(C#C)=CC(C)N;KVBIKPINQRNEMF-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150950;MM150950;C#CC(C#C)=CC(C)O;OYOFPDUYOPGZPF-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150951;MM150951;C#CC(C#C)=CC(C)F;MJBNGVQRLUEYTF-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150952;MM150952;C#CC(C#C)=CC(F)F;KXYRGBAYHUVWKB-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150953;MM150953;C#CC(C#C)=NN(C)C;UXOXSEQQZHEOBU-UHFFFAOYSA-N;120.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150954;MM150954;C=C(C)C=C(CC)CC;IRDXFBILNAMPEH-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150955;MM150955;C=C(C)C=C(CC)CN;UNTCBJBFKRNESI-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150956;MM150956;CNN=CC(O)C(=O)CO;AECNCDDUMBCROL-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150957;MM150957;C=C(C)C=C(CC)CF;SWIXKHADIPNJNL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150958;MM150958;C=C(C)C=C(CN)CF;PYJYNIKQGUSOBP-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150959;MM150959;C=C(C)C=C(CO)CO;DTAQOUVIRUHFTF-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150960;MM150960;CCC(=CC(C)=O)CC;RKEFWJIENZDELU-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150961;MM150961;CC(=O)C=C(CF)CF;QCNNUVLMDGJSIA-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150962;MM150962;CCC(=CC(=N)N)CC;PITCBAXYZSSIPH-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150963;MM150963;CCC(=CC(=N)N)CN;LJQSRVKQDARTGA-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150964;MM150964;CCC(=CC(=N)N)CO;XNRSWZAEHNWFHQ-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150965;MM150965;CCC(=CC(=N)N)CF;BETYRZVZBDOEDD-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150966;MM150966;N=C(N)C=C(CN)CN;YRAXKUBSYZOXEB-UHFFFAOYSA-N;128.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150967;MM150967;N=C(N)C=C(CO)CO;ZTXIJMDYHRZSOF-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150968;MM150968;CNN=CC(O)C(=O)CF;DNHGTGPBFLQYEF-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150969;MM150969;CCC(=CC(N)=O)CN;NWZWBYLYQSIDMK-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150970;MM150970;O=CNNCCC(F)CF;KDOHSBYLUQJFMH-UHFFFAOYSA-N;152.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150971;MM150971;NCC(=CC(N)=O)CN;XKGIXIUQJGIISB-UHFFFAOYSA-N;129.16;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150972;MM150972;NCC(=CC(N)=O)CO;SPHUOVFVFKRXIQ-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150973;MM150973;NC(=O)C=C(CO)CO;WRVILNMDVRHVGJ-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150974;MM150974;CCC(=CC(=O)O)CC;LKHHEMHSIKGIBO-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150975;MM150975;CCC(=CC(=O)O)CF;HPNKYBABQGCDFQ-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150976;MM150976;O=c1o[nH]c(O)c1O;CGGDCNUAMXQNIK-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150977;MM150977;C=C(F)C=C(CC)CC;SZYNBFINJLJCCI-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150978;MM150978;C=C(F)C=C(CC)CN;QPJMGQHXKRTPNE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150979;MM150979;C=C(F)C=C(CC)CO;UUHSLTOSWQMXJN-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150980;MM150980;C=C(F)C=C(CN)CN;DKSXTWDRVXTIMY-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150981;MM150981;C=C(F)C=C(CN)CO;UKPCNDVOGDLDSA-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150982;MM150982;C=C(F)C=C(CN)CF;ZEPKNNGVAXLKMD-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150983;MM150983;CNC(=CC(=N)N)CO;BTNFDYVYXNZPOS-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150984;MM150984;CNC(=CC(N)=O)CN;QGYAHWIEMBDIAA-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150985;MM150985;CNC(=CC(N)=O)CO;QYNIDTDCJAHZKN-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150986;MM150986;Nc1oc(F)c(O)c1N;WKSADKXIRZETCV-UHFFFAOYSA-N;132.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150987;MM150987;ON=c1oc(O)c(O)n1O;IFIMCJWQACPVOG-UHFFFAOYSA-N;148.07;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150988;MM150988;C=C(C)C=C(CC)OC;PUKSCLVQLYMXTB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150989;MM150989;C=C(C)C=C(CO)OC;TVJBKSGHHKZLLX-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150990;MM150990;C=C(C)C=C(CF)OC;LWZGNTIUDDFBDP-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150991;MM150991;COC(=CC(=N)N)CN;JRQQLTXVKNRMKQ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150992;MM150992;COC(=CC(=N)N)CO;PYDLBBPFFXLODX-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150993;MM150993;COC(=CC(=N)N)CF;ZWROLEVRXPKXDJ-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150994;MM150994;COC(=CC(N)=O)CN;HCMCVPFIVHCKNO-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150995;MM150995;COC(=CC(N)=O)CO;YMXJSYBYALNYJF-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150996;MM150996;C=C(F)CCC(C#N)=NO;UDAIIRGELUADNP-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150997;MM150997;C=Cc1nn(N)c(=O)n1O;RIOPHTBRMNJNND-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150998;MM150998;C=C(F)C=C(CC)OC;QHTSCAAMWNMFJR-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM150999;MM150999;C=C(F)C=C(CO)OC;LOIYNOLNVCQQJJ-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151000;MM151000;CNC(=NC(C)=N)NN;YUMOGZQZSKWPBM-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151001;MM151001;CNC(=NC(C)=N)NO;VVLFAQFFOZOEDW-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151002;MM151002;CC(=N)N=C(NN)NN;CUUMSYQBANDAKD-UHFFFAOYSA-N;130.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151003;MM151003;CC(=N)N=C(NN)NO;ATHMVAYOGPVDJO-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151004;MM151004;CNC(=NC(C)=O)NN;BGWKGAHMMFFSLU-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151005;MM151005;CC(=O)N=C(NO)NO;FWYNHRXAQOVKSE-UHFFFAOYSA-N;133.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151006;MM151006;CNC(=NC(=N)N)NN;OXRANKYYAHUABY-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151007;MM151007;CNC(=NC(=N)N)NO;JQLMEDLXYISSET-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151008;MM151008;CNC(=NC(N)=O)NN;SFBYFCCCFDVGAT-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151009;MM151009;NNC(=NC(N)=O)NN;OGNMZTNFEQTDQC-UHFFFAOYSA-N;132.13;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151010;MM151010;C=COCOCC(=O)NN;RXLJZFKDNSMYHH-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151011;MM151011;CCNC(C#N)C(O)C=O;KTVWRUVYZFBHEM-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151012;MM151012;C=CC(=CC(=C)C)CC;NXPNCYZXBIFMSI-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151013;MM151013;C=C(C)C=C(C=O)CC;HJSLCZBFYMLENL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151014;MM151014;C=C(C)C=C(C#N)CC;KUCCQBNFRCBJDV-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151015;MM151015;C=CC(=CC(=C)C)CN;MUOBMTDJJYCWQB-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151016;MM151016;COCC(OC)C(=O)NN;BFZNKYBVNDZWNW-UHFFFAOYSA-N;148.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151017;MM151017;C=CC(=CC(=C)C)CF;DGRZFLIBMAABKA-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151018;MM151018;C=C(C)C=C(C=O)CF;YFYQFULBEUSJCR-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151019;MM151019;C=C(C)C=C(C#N)CF;GVLQGMWAHWYSBB-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151020;MM151020;C=CC(=CC(C)=O)CC;VCLUBEZVDKSXIV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151021;MM151021;CCC(C=O)=CC(C)=O;MRQXZDZNXFOTFD-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151022;MM151022;CCC(C#N)=CC(C)=O;CAIKGOCQMUQCOY-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151023;MM151023;CC(=O)C=C(C=O)CO;PSJPSWXCWFGUCE-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151024;MM151024;C=CC(=CC(=N)N)CC;VXISKIBYOGEFFI-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151025;MM151025;CCC(C#N)=CC(=N)N;XMZAUDWZFQFJAT-UHFFFAOYSA-N;123.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151026;MM151026;C=CC(=CC(=N)N)CN;AZFUTNKGGHRBRQ-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151027;MM151027;N#CC(=CC(=N)N)CO;RSPBTHSQUVEISU-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151028;MM151028;C=CC(=CC(=N)N)CF;QMQMQDOIYCDVOH-UHFFFAOYSA-N;128.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151029;MM151029;CNNC(=NO)NNC=O;GRUXXXDOPKSZGC-UHFFFAOYSA-N;147.14;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151030;MM151030;C=CC(=CC(N)=O)CN;NUJMWDCMPUEGBC-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151031;MM151031;NC(=O)C=C(C=O)CO;VSUZDXGVOBVCPR-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151032;MM151032;N#CC(=CC(N)=O)CO;LHFSWUJRZJRMGY-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151033;MM151033;CCONC(=NC=O)NO;RDLLOEHOUKDLME-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151034;MM151034;N#CC(=CC(N)=O)CF;XJCLHFNLMRCYTE-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151035;MM151035;C=CC(=CC(=O)O)CC;NWJXVNXCSFVDPU-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151036;MM151036;CCC(C#N)=CC(=O)O;CZMUQRMSYQXMAO-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151037;MM151037;Oc1coc(=NN2CC2)o1;YCXHLXMHPLWFAJ-UHFFFAOYSA-N;142.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151038;MM151038;NN=c1occn(O)c1=O;YAPSHZMAWPXWSS-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151039;MM151039;C=CC(=CC(=C)F)CC;VTFQDYMVMWMFNP-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151040;MM151040;C=C(F)C=C(C=O)CC;UUODIQFYMZSEPJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151041;MM151041;C=C(F)C=C(C#N)CC;GAZXCYQRFPPHIB-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151042;MM151042;C=CC(=CC(=C)F)CN;VTXOYVFISXZQFH-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151043;MM151043;C=CC(=CC(=C)F)CO;QYUFBSHXYLCYFW-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151044;MM151044;C=C(F)C=C(C#N)CO;ZBLXKOUJMSATND-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151045;MM151045;C=CC(=CC(=C)F)CF;RCMFWCVLELMFPQ-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151046;MM151046;C=C(F)C=C(C=O)CF;SHSCMWYHZLMAFF-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151047;MM151047;C=C(F)C=C(C#N)CF;GTSZKGKJJUSUMF-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151048;MM151048;C=CC(=CC(C)=O)NC;JWKSDKPMNGNRDL-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151049;MM151049;C=CC(=CC(=N)N)NC;SLHIVRQBLRPXND-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151050;MM151050;CNC(C=O)=CC(=N)N;QSMAWYLTFMKAIW-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151051;MM151051;CCOC(=NCC#N)NC;BLICCLBEYSODEJ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151052;MM151052;N#CC(=NO)C1CC(O)C1;AADPDGCEJWKIBK-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151053;MM151053;C=CC(=CC(=C)C)OC;WDSRSLLXFZBGDG-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151054;MM151054;C=C(C)C=C(C#N)OC;ZGTUEIQLGQHQQC-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151055;MM151055;COC(C=O)=CC(=N)N;SXZJXIGPKWYPTF-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151056;MM151056;COC(C(=O)NN)C(C)O;GXVQRKRJQOFXPJ-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151057;MM151057;O=CC(COCCO)=NO;IEPRNLLBXRSWAX-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151058;MM151058;C=CC(=CC(=C)F)OC;ZVWDNAIAWRTMFX-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151059;MM151059;C=C(F)C=C(C=O)OC;HDPQOPUQSIWYLD-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151060;MM151060;C=C(F)C=C(C#N)OC;WJHMYYSFLVFTQR-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151061;MM151061;C#CC(=CC(=C)C)CC;ZOOTXYGHMYNNMK-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151062;MM151062;C#CC(=CC(=C)C)CN;PVVQPFVXPRFUMQ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151063;MM151063;C#CC(=CC(C)=O)CC;KISNASDYFOADED-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151064;MM151064;C#CC(=CC(=N)N)CC;WFFXKFWUBPJDPB-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151065;MM151065;C#CC(=CC(=N)N)CN;AQHANXOPDTUGIC-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151066;MM151066;C#CC(=CC(=N)N)CO;HIZJFXSOXXSNQA-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151067;MM151067;C#CC(=CC(=N)N)CF;GKEKRTLLWCECEP-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151068;MM151068;C#CC(=CC(N)=O)CN;KINAPUXIZYVWEU-UHFFFAOYSA-N;124.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151069;MM151069;C#CC(=CC(N)=O)CO;YDBYKYNQGYPKIA-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151070;MM151070;CNc1nc(=N)nnn1O;WPHLQCXFVOVITL-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151071;MM151071;C#CC(=CC(=O)O)CF;YUPZWHGVTPPMGB-UHFFFAOYSA-N;128.1;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151072;MM151072;C#CC(=CC(=C)F)CC;CYXMBKVKBZSDAM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151073;MM151073;C#CC(=CC(=C)F)CF;XDQZNUANMHELEA-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151074;MM151074;C#CC(=CC(C)=O)NC;MURCXPRJWQPDDJ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151075;MM151075;C#CC(=CC(=C)C)OC;GXKQYHGCAVHFIP-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151076;MM151076;C#CC(=CC(C)=O)OC;MAJCHXZXHSWRPD-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151077;MM151077;C#CC(=CC(=N)N)OC;CMHWMRXSCBIHEO-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151078;MM151078;C#CC(=CC(=C)F)OC;VWNGYZNMOGCWCU-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151079;MM151079;C=CC(C=C)=CC(=C)C;AJHXIXRXYRBRQM-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151080;MM151080;C=CC(C=O)=CC(=C)C;ZNCPSQOUKNSKNU-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151081;MM151081;C=CC(C#N)=CC(=C)C;SUIAXAASCYYNAB-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151082;MM151082;C=C(C)C=C(C#N)C#N;YOTHHUZTNPKMOX-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151083;MM151083;C=CC(C=C)=CC(C)=O;LHGIWPGXVITCMC-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151084;MM151084;C=CC(C=O)=CC(C)=O;XIVQLJNAMYMQSW-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151085;MM151085;C=CC(C=C)=CC(=N)N;NWQALJKJBXVHBP-UHFFFAOYSA-N;122.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151086;MM151086;C=CC(C#N)=CC(=N)N;PBXXEOMZBQNAIE-UHFFFAOYSA-N;121.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151087;MM151087;N=C(N)C=C(C=O)C=O;NNZKMKDEWDXTHC-UHFFFAOYSA-N;126.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151088;MM151088;C#CCCNC(=NO)NO;PFAAHQRWHUOLJQ-UHFFFAOYSA-N;143.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151089;MM151089;COC(=NN)C(O)C=NN;PHCJFUZCSICQNO-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151090;MM151090;N#CC(C=O)=CC(N)=O;YTUONBKLMOFZSK-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151091;MM151091;C=CC(C=C)=CC(=O)O;ICVUQTBIYWENQE-UHFFFAOYSA-N;124.14;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151092;MM151092;C=CC(C#N)=CC(=O)O;HRLRYWVICJTHTQ-UHFFFAOYSA-N;123.11;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151093;MM151093;N#CC(C#N)=CC(=O)O;IFGHEEXVAVTLKH-UHFFFAOYSA-N;122.08;0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151094;MM151094;C=CC(C=C)=CC(=C)F;QCSHZVSEBNSQSB-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151095;MM151095;C=CC(C=O)=CC(=C)F;NMWHADMYJNXAII-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151096;MM151096;C=CC(C#N)=CC(=C)F;ZVMXIPFLPBIHOA-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151097;MM151097;C=C(F)C=C(C#N)C=O;TXKJOQKEUDMWDF-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151098;MM151098;C=C(F)C=C(C#N)C#N;JIAJKLNBOXBZDW-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151099;MM151099;C#CC(C=C)=CC(=C)C;FMHCLJLGGNTKAF-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151100;MM151100;C#CC(C#N)=CC(=C)C;SSIYDVVLEZYCJF-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151101;MM151101;C#CC(C=C)=CC(C)=O;HDRBXEPAKOIVRF-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151102;MM151102;C#CC(C#N)=CC(C)=O;NPOPWBODLXRICF-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151103;MM151103;C#CC(C=C)=CC(=N)N;SHWTWUSJRCVMLR-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151104;MM151104;CNNC(=O)C1(C=O)CC1;OXPOIPGOIPZSFN-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151105;MM151105;C#CC(C=C)=CC(=O)O;NDUWRQQIEGUPJC-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151106;MM151106;C#CC(C#N)=CC(=O)O;MZWWNMZFOZWJPI-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151107;MM151107;C#CC(C=C)=CC(=C)F;AKLNDDLLUIWPCG-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151108;MM151108;C#CC(C=O)=CC(=C)F;RDOSDLJQZQYAJX-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151109;MM151109;C#CC(C#N)=CC(=C)F;KIKXRFBEWCFTMG-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151110;MM151110;C#CC(C#C)=CC(=C)C;JGSXFAGZAXREAT-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151111;MM151111;C#CC(C#C)=CC(=O)O;FMZQOISZWTYRIS-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151112;MM151112;C#CC(C#C)=CC(=C)F;CPNUFPFZKMGTHP-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151113;MM151113;CCC1(CC)CC(C)C1;DIBYJYVRZYHODX-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151114;MM151114;CCC1(CN)CC(C)C1;QOPUZIDQDKQTIZ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151115;MM151115;CC1CN1CC#CCC#N;UUXRUNSUCXVJKX-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151116;MM151116;CCC1(CF)CC(C)C1;FKQBOBYQFLSOAW-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151117;MM151117;CC1CC(CN)(CN)C1;HJNMXLCTZOMAFF-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151118;MM151118;CC1CC(CN)(CO)C1;YEANVJQIKHATDT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151119;MM151119;CC1CC(CO)(CO)C1;GOMKXPJYFNBYKD-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151120;MM151120;CCC1(CC)CC(N)C1;PVNNMRCNQWVMER-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151121;MM151121;CCC1(CN)CC(N)C1;GIMGBBVSQHIWLL-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151122;MM151122;CCC1(CO)CC(N)C1;GNEFMWFVNVSZIJ-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151123;MM151123;CCC1(CF)CC(N)C1;YVBYYSAZTCGNBC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151124;MM151124;NCC1(CN)CC(N)C1;KFZGFYWVCRNTDO-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151125;MM151125;NCC1(CF)CC(N)C1;LXTQHDXMCDRJEH-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151126;MM151126;NC1CC(CO)(CO)C1;ZGAVNCNNYZDUIW-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151127;MM151127;N#CCC#CCNCC#N;KQICXYLMOLLECC-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151128;MM151128;CCC1(CN)CC(O)C1;CTRSCDHVOSQADE-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151129;MM151129;NCC1(CN)CC(O)C1;OGROXFFKLILVAC-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151130;MM151130;CCC1(CC)CC(F)C1;XBCANPAKNAFPKP-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151131;MM151131;CCC1(CN)CC(F)C1;UTTHRRKEGLFNSQ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151132;MM151132;NCC1(CN)CC(F)C1;ZMPHWLCRSUWYRU-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151133;MM151133;NCC1(CO)CC(F)C1;GELBQJQKCIWFQE-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151134;MM151134;CCC1(NC)CC(C)C1;VRPARDURQWULNH-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151135;MM151135;CNC1(CN)CC(C)C1;FNDDTMDEUASSFM-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151136;MM151136;CNC1(CO)CC(C)C1;YXCCQKXHGIFNRR-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151137;MM151137;CNC1(CF)CC(C)C1;IQKRXBPCXHVBQM-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151138;MM151138;CCC1(NC)CC(N)C1;JAPODSCNJUCJBO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151139;MM151139;CNC1(CN)CC(N)C1;TVYKCQLPWUCILF-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151140;MM151140;CCC1(NC)CC(O)C1;SFXQZDRYRVEPKH-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151141;MM151141;CNC1(CN)CC(O)C1;GDGSWKCUKAWMIT-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151142;MM151142;CCC1(NC)CC(F)C1;PCLUWVCOVBXZBY-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151143;MM151143;CNC1(CN)CC(F)C1;CRDBFRKXWUJYBX-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151144;MM151144;CNC1(CO)CC(F)C1;LEJVDNRQFUYQER-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151145;MM151145;CCC1(OC)CC(C)C1;LSFWKNGDMVQLOT-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151146;MM151146;COC1(CN)CC(C)C1;LIJFHWCPXSQUMX-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151147;MM151147;CCC1(OC)CC(N)C1;HWNHQUDJYQSSLT-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151148;MM151148;COC1(CN)CC(N)C1;MMMNTRKZGZJRNL-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151149;MM151149;CCC1(OC)CC(O)C1;GTKAZOUUJQTYCE-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151150;MM151150;COC1(CN)CC(O)C1;VCVAHDUKPFIEMX-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151151;MM151151;CCC1(OC)CC(F)C1;QHSDRYNBNYCZAT-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151152;MM151152;COC1(CN)CC(F)C1;VKCPBQPFSDSSBK-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151153;MM151153;COC1(OC)CC(C)C1;GYEJNRCPFFFAQI-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151154;MM151154;COC1(OC)CC(N)C1;HAJXGHDIJFLEPV-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151155;MM151155;COC1(OC)CC(O)C1;SVJAHCCZKKZMMK-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151156;MM151156;COC1(OC)CC(F)C1;MIESVQPXUWPSHD-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151157;MM151157;CCC1(CC)CC(C)N1;NWKYEUVTCFCVGD-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151158;MM151158;CCC1(CN)CC(C)N1;KDVMOERCYNNCTO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151159;MM151159;CCC1(CO)CC(C)N1;QCWDVNIUDQITFR-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151160;MM151160;CC1CC(CN)(CN)N1;SMEFXCQXFYGVCF-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151161;MM151161;CC1CC(CN)(CO)N1;ZLCGHSUZQXRPRQ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151162;MM151162;CCC1(CC)CC(C)O1;PBNFCPZCNSLZFJ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151163;MM151163;CCC1(CN)CC(C)O1;UTZZIKKSGGGPEE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151164;MM151164;CCC1(CO)CC(C)O1;UWQLPFJMHGMEOP-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151165;MM151165;CC1CC(CN)(CN)O1;XSDNGXQRUHDGCC-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151166;MM151166;CC1CC(CN)(CO)O1;WDQDFWNSJLSGLU-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151167;MM151167;CCC1(CC)CN(C)C1;IIDXIMMTPNFAKU-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151168;MM151168;CCC1(CN)CN(C)C1;QPHJBINBKSIOFG-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151169;MM151169;CN1CC(CN)(CN)C1;QFUXNQURADYDGB-UHFFFAOYSA-N;129.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151170;MM151170;CN1CC(CN)(CO)C1;TXAOEARAYULDIW-UHFFFAOYSA-N;130.19;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151171;MM151171;CN1CC(CN)(CF)C1;GXTJWVYXUPOBIR-UHFFFAOYSA-N;132.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151172;MM151172;CCC1(NC)CN(C)C1;RRZWCPFNGSCLFR-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151173;MM151173;CNC1(CN)CN(C)C1;AOCMFSIUFIGXQP-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151174;MM151174;CNC1(CO)CN(C)C1;ZZZDGDADSJGMEZ-UHFFFAOYSA-N;130.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151175;MM151175;COC1(CN)CN(C)C1;ZCEBPVWYYCMNAE-UHFFFAOYSA-N;130.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151176;MM151176;COC1(OC)CN(C)C1;VMGDQFRJHTXJCQ-UHFFFAOYSA-N;131.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151177;MM151177;C=CC1(CC)CC(C)C1;SOIYDCKAUQWOKV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151178;MM151178;CCC1(C=O)CC(C)C1;XLRACBOVQXPUES-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151179;MM151179;CCC1(C#N)CC(C)C1;FVTWGOXNAHXMND-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151180;MM151180;C=CC1(CN)CC(C)C1;JELGDFYWIORHKP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151181;MM151181;CCC1=NNC(=NN)NO1;CMQSVVKCMDOJQY-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151182;MM151182;CC1CC(C=O)(CO)C1;LRMLOFCWHOVBSF-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151183;MM151183;CC1CC(C#N)(CO)C1;DALDPPRXQVRDGI-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151184;MM151184;CC1CC(C#N)(CF)C1;TUZPQBNNQLSPKD-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151185;MM151185;C=CC1(CC)CC(N)C1;CPTLGRRXGLYQJZ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151186;MM151186;C=CC1(CN)CC(N)C1;DGDJENQBCDJRFU-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151187;MM151187;C=CC1(CO)CC(N)C1;MSWACKHGYWPILA-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151188;MM151188;C=CC1(CF)CC(N)C1;ABFZFUNFBRQJRF-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151189;MM151189;C#CC(C)NNC(N)=O;KHCHZGGNMYOFHW-UHFFFAOYSA-N;127.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151190;MM151190;CCC1(C=O)CC(O)C1;BKICCBNZKDEIPG-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151191;MM151191;CCC1(C#N)CC(O)C1;IJVMYJHWJOQISG-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151192;MM151192;C=CC1(CN)CC(O)C1;AZAUSMYQCHFVQQ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151193;MM151193;C=CC1(CO)CC(O)C1;ZCDPGXRAZFCZRM-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151194;MM151194;O=CC1(CO)CC(O)C1;RZNGKNSEBYVMLR-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151195;MM151195;N#CC1(CO)CC(O)C1;NTSASNKTVZSDHV-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151196;MM151196;C=CC1(CF)CC(O)C1;LXHLMIWVEVCSDH-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151197;MM151197;N#CC1(CF)CC(O)C1;KYBPSISIWDCGMB-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151198;MM151198;C=CC1(CC)CC(F)C1;TVOZLNIVLPZRRP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151199;MM151199;CCC1(C=O)CC(F)C1;ZYZIODXAJKPDBC-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151200;MM151200;CCC1(C#N)CC(F)C1;NYPSVSLFNVAOIK-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151201;MM151201;C=CC1(CN)CC(F)C1;MZRNMQJCNAKXIS-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151202;MM151202;C=CC1(CO)CC(F)C1;LCGOSACNXKPYIM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151203;MM151203;N#CC1(CO)CC(F)C1;MJSKZZZMCXSWSB-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151204;MM151204;C=CC1(CF)CC(F)C1;PQXGTWQHBJSRAT-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151205;MM151205;N#CC1(CF)CC(F)C1;QBNUASFQVDXFDH-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151206;MM151206;C=CC1(NC)CC(C)C1;PXUIQLTYEJDNLT-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151207;MM151207;CNC1(C=O)CC(C)C1;BYAYFUCQLRCLRF-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151208;MM151208;CNC1(C#N)CC(C)C1;CTPRLSMKBOCQPT-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151209;MM151209;C=CC1(NC)CC(N)C1;PPCPCDVKUMBDLM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151210;MM151210;C=CC1(NC)CC(O)C1;MTEGCZLXWGOPLW-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151211;MM151211;NNC(=O)C=COC=O;VGJIXVOETMSUNT-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151212;MM151212;C=CC1(NC)CC(F)C1;XHUXFHJEMSIZNI-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151213;MM151213;CNC1(C#N)CC(F)C1;VRVSZCALPVNBGT-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151214;MM151214;C=CC1(OC)CC(C)C1;FFXJMYKJPHFAES-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151215;MM151215;COC1(C=O)CC(C)C1;KHUKLRWYQGBECF-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151216;MM151216;COC1(C#N)CC(C)C1;CKQMHCGUIQUPMY-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151217;MM151217;C=CC1(OC)CC(N)C1;OQQGGFCOLRAWHL-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151218;MM151218;C=CC1(OC)CC(O)C1;WUVFDEPWNZHUIJ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151219;MM151219;COC1(C=O)CC(O)C1;GQWASZOLMLZWMV-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151220;MM151220;COC1(C#N)CC(O)C1;SQAXZXZCEILWLU-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151221;MM151221;C=CC1(OC)CC(F)C1;OOECZZKUAUNBEV-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151222;MM151222;COC1(C#N)CC(F)C1;MKSNXAMGJMTBNW-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151223;MM151223;C=CC1(CC)CC(C)N1;MHLFKGQVJWNBFZ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151224;MM151224;CCC1(C=O)CC(C)N1;BKMFZAURVKRMFT-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151225;MM151225;CCC1(C#N)CC(C)N1;OMPYEYZVTIQFNJ-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151226;MM151226;C=CC1(CN)CC(C)N1;JPUPVDGFCWRSLC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151227;MM151227;C=CC1(CO)CC(C)N1;QJSFJFNMMCJRMI-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151228;MM151228;CNNC(=O)C(C)=NN;VCESRWOZSGOYLK-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151229;MM151229;CC1CC(C#N)(CF)N1;IQXVUZNIRKVORJ-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151230;MM151230;C=CC1(CC)CC(C)O1;NEONLYISUMFSRC-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151231;MM151231;CCC1(C=O)CC(C)O1;PQRBURLXUYPAMX-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151232;MM151232;CCC1(C#N)CC(C)O1;PFSKBACYXAPPRF-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151233;MM151233;C=CC1(CN)CC(C)O1;DNGVHHMYMHIZIK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151234;MM151234;CC1CC(C#N)(CO)O1;NWQHTTNQCNFHLQ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151235;MM151235;C=CC1(CF)CC(C)O1;DOLMTVJCROLGLO-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151236;MM151236;CC1CC(C#N)(CF)O1;RIPWNQZTXRLOBU-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151237;MM151237;C=CC1(CC)CN(C)C1;PZWQHHJMULNETR-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151238;MM151238;CCC1(C#N)CN(C)C1;YOLYLQRWUDEHFA-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151239;MM151239;C=CC1(CN)CN(C)C1;RJLDYPIHMKAFEM-UHFFFAOYSA-N;126.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151240;MM151240;Cc1nc(CC#N)c[nH]1;ACMGYAIDSNGFQX-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151241;MM151241;CN1CC(C#N)(CF)C1;OBVZENSAIYHGOI-UHFFFAOYSA-N;128.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151242;MM151242;C=CC1(NC)CN(C)C1;YROOQQJZSKRDFT-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151243;MM151243;CNC1(C#N)CN(C)C1;AHSLIMGABCFOPT-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151244;MM151244;COC1(C=O)CN(C)C1;GNMTYDZFLQYBBK-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151245;MM151245;COC1(C#N)CN(C)C1;SEWUJLPMCJVFCV-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151246;MM151246;C#CC1(CC)CC(C)C1;ZVBXCZAKEFNHMW-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151247;MM151247;C#CC1(CN)CC(C)C1;OOTWVCKWZUZMII-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151248;MM151248;CCC1OC1C(=O)NN;OGEBDUBPBVRMKO-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151249;MM151249;C#CC1(CF)CC(C)C1;DGQIEJLQYZRLDL-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151250;MM151250;C#CC1(CC)CC(N)C1;HJCIABDXAMBVEX-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151251;MM151251;C#CC1(CN)CC(N)C1;UXASRZFFNOWBHR-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151252;MM151252;C#CC1(CO)CC(N)C1;WHLUESBELIVHEO-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151253;MM151253;C#CC1(CF)CC(N)C1;JCEURVUNVZVYJS-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151254;MM151254;CC(F)C(=N)NC(N)=NO;UVZCMUHQDVOKLH-UHFFFAOYSA-N;148.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151255;MM151255;C#CC1(CN)CC(O)C1;LXSPUIOXCGICAM-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151256;MM151256;C#CC1(CO)CC(O)C1;HNFWOFTUEBGPCL-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151257;MM151257;C#CC1(CF)CC(O)C1;KXHKZTDJKKKIJU-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151258;MM151258;C#CC1(CC)CC(F)C1;FSVCKLOHESFOBX-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151259;MM151259;C#CC1(CN)CC(F)C1;LVTFQCHYJPTZJX-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151260;MM151260;C#CC1(CO)CC(F)C1;ZTCJMCVBEZWCKR-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151261;MM151261;C#CC1(CF)CC(F)C1;SXYTYOQJLWVUST-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151262;MM151262;C#CC1(NC)CC(C)C1;USEGLRBWUFEANJ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151263;MM151263;C#CC1(NC)CC(N)C1;KBEIYMNKZWARBL-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151264;MM151264;C#CC1(NC)CC(O)C1;GYVNMXPICVATEP-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151265;MM151265;C#CC1(NC)CC(F)C1;MIVJBFAHNIBORA-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151266;MM151266;C#CC1(OC)CC(C)C1;DAGRWMHRWNWZTC-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151267;MM151267;C#CC1(OC)CC(N)C1;MYMCEYKNMBJALE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151268;MM151268;C#CC1(OC)CC(O)C1;YLIUUFRGGHMQKO-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151269;MM151269;C#CC1(OC)CC(F)C1;PDMSPHAIJWNZJR-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151270;MM151270;C#CC1(CC)CC(C)N1;IIWPFYFJMAUSIW-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151271;MM151271;C#CC1(CN)CC(C)N1;HBCSFHJLXRGTLS-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151272;MM151272;C#CC1(CO)CC(C)N1;UKFSYMOHBRXYAL-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151273;MM151273;C#CC1(CC)CC(C)O1;MCANYZCNXHARHD-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151274;MM151274;C#CC1(CN)CC(C)O1;XPDPJEXGNLWSDL-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151275;MM151275;C#CC1(CO)CC(C)O1;QMXGCSZRCHTJIA-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151276;MM151276;C#CC1(CF)CC(C)O1;NSNMENZDTAPBDJ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151277;MM151277;C#CC1(CN)CN(C)C1;BIRRUAOUBIXECM-UHFFFAOYSA-N;124.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151278;MM151278;C#CC1(OC)CN(C)C1;YQRDZNAGEGXKFE-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151279;MM151279;C=CC1(C=C)CC(C)C1;RYTHPMPVBXDLQW-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151280;MM151280;C=CC1(C=O)CC(C)C1;DKKSWDLEGUTGOH-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151281;MM151281;C=CC1(C#N)CC(C)C1;ZQYBLUTYBUTRQJ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151282;MM151282;CC1CC(C=O)(C=O)C1;AGLFPQYLYDQRNB-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151283;MM151283;CC1CC(C#N)(C=O)C1;USVHDDDCFBCWCY-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151284;MM151284;CC1CC(C#N)(C#N)C1;AGRAFUCQGAXMPH-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151285;MM151285;C=CC1(C=C)CC(N)C1;NPDQRHWDLUSPAU-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151286;MM151286;CC(O)C(O)C(=O)C(=N)N;BFQPJJBKCZJMRB-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151287;MM151287;C=CC1(C=O)CC(O)C1;BRRVNXNCWCXZSG-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151288;MM151288;C=CC1(C#N)CC(O)C1;UWQDMZAETFCFAH-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151289;MM151289;O=CC1(C=O)CC(O)C1;IGDNSZWHMHGIQC-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151290;MM151290;N#CC1(C=O)CC(O)C1;DLBUGQGTRHVRMM-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151291;MM151291;N#CC1(C#N)CC(O)C1;RRDKLBNYEGIIIM-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151292;MM151292;C=CC1(C=C)CC(F)C1;ZSFXSXYWUKSDLM-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151293;MM151293;C=CC1(C=O)CC(F)C1;YGDHZLYLOOFLMV-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151294;MM151294;C=CC1(C#N)CC(F)C1;ZUTCBHGBGXPFMG-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151295;MM151295;O=CC1(C=O)CC(F)C1;SZYJDURHOOOOAS-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151296;MM151296;N#CC1(C=O)CC(F)C1;BRKSKBKPUMLLSP-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151297;MM151297;N#CC1(C#N)CC(F)C1;IYQUVWRUXBFCJD-UHFFFAOYSA-N;124.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151298;MM151298;C=CC1(C=C)CC(C)N1;LHVRLBMRDIHECS-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151299;MM151299;C=CC1(C#N)CC(C)N1;ISRQBMXYHGRVOP-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151300;MM151300;CC1CC(C#N)(C=O)N1;KHOQTVQYLQBSSM-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151301;MM151301;CC1CC(C#N)(C#N)N1;ZKRSGBVIXQVBHC-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151302;MM151302;C=CC1(C=C)CC(C)O1;QWPYQXQFZWMTTD-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151303;MM151303;C=CC1(C=O)CC(C)O1;QWPRWZQGZSBVEF-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151304;MM151304;C=CC1(C#N)CC(C)O1;LUDUQEPFXBMHJG-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151305;MM151305;CC1CC(C=O)(C=O)O1;FIKJNDAQVCWFJQ-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151306;MM151306;CC1CC(C#N)(C=O)O1;SYYYLNVOLVAGKI-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151307;MM151307;CC1CC(C#N)(C#N)O1;WBIINDNPOMCMAN-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151308;MM151308;C=CC1(C#N)CN(C)C1;NLAVAGISFRFQCW-UHFFFAOYSA-N;122.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151309;MM151309;CN1CC(C=O)(C=O)C1;NLACUWMMMTVAHI-UHFFFAOYSA-N;127.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151310;MM151310;CN1CC(C#N)(C=O)C1;FKDIYBWIQCHGPM-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151311;MM151311;CN1CC(C#N)(C#N)C1;UYBREAZFLIZOEV-UHFFFAOYSA-N;121.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151312;MM151312;C#CC1(C=C)CC(C)C1;GZOZYXRAAHTJMF-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151313;MM151313;C#CC1(C=O)CC(C)C1;KEAZNJUYYUACDK-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151314;MM151314;C#CC1(C#N)CC(C)C1;VWOMGSMKZZKMDG-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151315;MM151315;C#CC1(C=C)CC(N)C1;XJCJNBLPCRDDDA-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151316;MM151316;C=NOC(=O)NC(C)=CC;CNABWNISKQMJFS-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151317;MM151317;C#CC1(C=O)CC(O)C1;CKUYWUBKGVUBKE-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151318;MM151318;C#CC1(C#N)CC(O)C1;GMCGACCWVBXSFQ-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151319;MM151319;C#CC1(C=C)CC(F)C1;AQZMFCVIQIHDOH-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151320;MM151320;C#CC1(C=O)CC(F)C1;HJXRLITYCCYQHD-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151321;MM151321;C#CC1(C#N)CC(F)C1;JYUQZHSOQRYGOD-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151322;MM151322;C#CC1(C=C)CC(C)N1;PBTJVUSJOPZKBW-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151323;MM151323;C#CC1(C#N)CC(C)N1;LQOSIDJJNWEWGT-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151324;MM151324;C#CC1(C=C)CC(C)O1;GHQRPFSLMOQJHK-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151325;MM151325;C#CC1(C=O)CC(C)O1;QUXKGJAESWELEJ-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151326;MM151326;C#CC1(C#N)CC(C)O1;NFGWKALPHHGVCR-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151327;MM151327;C#CC1(C#N)CN(C)C1;UYLLNYQPJGWQFG-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151328;MM151328;C#CC1(C#C)CC(C)C1;MGIUQNITMHIJFK-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151329;MM151329;C#CC1(C#C)CC(N)C1;NGWHYIYLYDEYGU-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151330;MM151330;CN(NC(N)=O)C(=N)CF;LSKAIQHEGFUWSY-UHFFFAOYSA-N;148.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151331;MM151331;C#CC1(C#C)CC(F)C1;IBCROQWOOLEWCN-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151332;MM151332;C#CC1(C#C)CC(C)O1;DAVKTVZUBVNRCB-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151333;MM151333;CCC1(CC)CC(=O)C1;GJNBYMJQVVJXDC-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151334;MM151334;CCC1(CO)CC(=O)C1;ZZEKJLHKALRQTO-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151335;MM151335;O=C1CC(CO)(CO)C1;YNGMBKFRYUQALC-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151336;MM151336;O=C1CC(CO)(CF)C1;XJDCBZLEYWEGPZ-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151337;MM151337;O=C1CC(CF)(CF)C1;DTHOWPFSOJPHSI-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151338;MM151338;CCC1(NC)CC(=O)C1;CQNHFGABEKINHE-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151339;MM151339;CNC1(CO)CC(=O)C1;QAJRLTAYQCUSAG-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151340;MM151340;CCC1(OC)CC(=O)C1;QOFWRWSFFLLGED-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151341;MM151341;COC1(CO)CC(=O)C1;YLDBRPJJXXHMSH-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151342;MM151342;COC1(OC)CC(=O)C1;GXSQWVGLXXJVCA-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151343;MM151343;CCC1(CC)CC(=O)N1;DUYXBAULRMVUTC-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151344;MM151344;CCC1(CN)CC(=O)N1;GDDIAIMHGXTXMY-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151345;MM151345;CCC1(CO)CC(=O)N1;CHFDGBPAPFJOSN-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151346;MM151346;NCC1(CN)CC(=O)N1;ZCPHXTJWVCFDPQ-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151347;MM151347;NCC1(CO)CC(=O)N1;UQVLUCOUARMNKM-UHFFFAOYSA-N;130.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151348;MM151348;O=C1CC(CO)(CF)N1;APASGXSTXSKTAM-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151349;MM151349;CCC1(CC)CC(=O)O1;HGXDHDKYOMDKIJ-UHFFFAOYSA-N;128.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151350;MM151350;CCC1(CN)CC(=O)O1;MNOIUMRBFNNTGI-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151351;MM151351;CCC1(CO)CC(=O)O1;ADFYRVZUDYYCGO-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151352;MM151352;NCC1(CN)CC(=O)O1;AFDVGDLTONXTAS-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151353;MM151353;NCC1(CO)CC(=O)O1;PBJPAAXSFOAETE-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151354;MM151354;C=CC1(CC)CC(=O)C1;CJZGNXFGDUGZSN-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151355;MM151355;CCC1(C=O)CC(=O)C1;UPZMVTKNFVUCCY-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151356;MM151356;CCC1(C#N)CC(=O)C1;INLYXJITBFDHHH-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151357;MM151357;C=CC1(CO)CC(=O)C1;BOAUZOATFOQUBO-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151358;MM151358;O=CC1(CO)CC(=O)C1;WXOGVJAASALZHO-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151359;MM151359;N#CC1(CO)CC(=O)C1;DRKIFYPWOJMDQM-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151360;MM151360;C=CC1(CF)CC(=O)C1;PTCCKYRJCWAVSR-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151361;MM151361;N#CC1(CF)CC(=O)C1;ZWOKZQFILORHKU-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151362;MM151362;C=CC1(NC)CC(=O)C1;UGBBSJOSZDLGPD-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151363;MM151363;COC(=O)CNC(=O)NN;IOXCXNIIXBIOHC-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151364;MM151364;C=CC1(OC)CC(=O)C1;MJUAJZHQVDYIBV-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151365;MM151365;COC1(C=O)CC(=O)C1;VJBPGONJESBXPA-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151366;MM151366;COC1(C#N)CC(=O)C1;ORCWYCHBQAQQNA-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151367;MM151367;C=CC1(CC)CC(=O)N1;LHNOWEOMARJJLP-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151368;MM151368;CCC1(C=O)CC(=O)N1;UODKATGGUJWBDM-UHFFFAOYSA-N;127.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151369;MM151369;CCC1(C#N)CC(=O)N1;VSKLHQRPFNUYPE-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151370;MM151370;C=CC1(CN)CC(=O)N1;OKAFHKQTMZIAKV-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151371;MM151371;C=CC1(CO)CC(=O)N1;GZESFOVHEVDVQG-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151372;MM151372;O=CC1(CO)CC(=O)N1;DNUFGPSZFFMDJR-UHFFFAOYSA-N;129.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151373;MM151373;N#CC1(CO)CC(=O)N1;KYLGFFQPOUZECF-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151374;MM151374;C=CC1(CF)CC(=O)N1;VXRQDTZHRIPSTI-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151375;MM151375;N#CC1(CF)CC(=O)N1;BCISJQGSNDSJNO-UHFFFAOYSA-N;128.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151376;MM151376;C=CC1(CC)CC(=O)O1;XVZJPIOLVGVQBA-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151377;MM151377;CCC1(C=O)CC(=O)O1;JEWFXULABBRXKO-UHFFFAOYSA-N;128.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151378;MM151378;CCC1(C#N)CC(=O)O1;FRKPGFZODKQCND-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151379;MM151379;C=CC1(CN)CC(=O)O1;VATDKMUVTOBCQU-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151380;MM151380;C=CC1(CO)CC(=O)O1;GBGOPEAMEBGBBR-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151381;MM151381;O=CC1(CO)CC(=O)O1;HDRIHIYDEKSOPD-UHFFFAOYSA-N;130.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151382;MM151382;N#CC1(CO)CC(=O)O1;RAFDIBOZLQKSCO-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151383;MM151383;N#CC1(CF)CC(=O)O1;XEZWVECQYDIESP-UHFFFAOYSA-N;129.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151384;MM151384;C#CC1(CC)CC(=O)C1;CPDPDGSVTQYPOP-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151385;MM151385;C#CC1(CO)CC(=O)C1;YYQUGGPTEVBSBX-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151386;MM151386;C#CC1(CF)CC(=O)C1;JYMXCLBQAXKFFP-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151387;MM151387;C#CC1(OC)CC(=O)C1;AKKHGNSDOMRHAB-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151388;MM151388;C#CC1(CC)CC(=O)N1;VXSWVIFIAOWRNP-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151389;MM151389;C#CC1(CN)CC(=O)N1;UBWVQVDEYLWOAQ-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151390;MM151390;C#CC1(CO)CC(=O)N1;UBYQVFFTMVMSGQ-UHFFFAOYSA-N;125.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151391;MM151391;C#CC1(CF)CC(=O)N1;YJABKSRMPFQOGK-UHFFFAOYSA-N;127.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151392;MM151392;C#CC1(CC)CC(=O)O1;NOQLRVOITNGEEF-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151393;MM151393;C#CC1(CN)CC(=O)O1;HEVAWYGIZINYPF-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151394;MM151394;C#CC1(CO)CC(=O)O1;IEBQLYYSFBCDRT-UHFFFAOYSA-N;126.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151395;MM151395;C#CC1(CF)CC(=O)O1;RUSIJMUEFGFXDY-UHFFFAOYSA-N;128.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151396;MM151396;C=CC1(C=C)CC(=O)C1;QHTRFEVVOJSKLW-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151397;MM151397;C=CC1(C=O)CC(=O)C1;HSSVIPJVAMPRKB-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151398;MM151398;C=CC1(C#N)CC(=O)C1;WNEYIDDOOGFMNC-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151399;MM151399;O=CC1(C=O)CC(=O)C1;QKWQMXZZWSGGGF-UHFFFAOYSA-N;126.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151400;MM151400;N#CC1(C=O)CC(=O)C1;OHFKPVCQXGYKCG-UHFFFAOYSA-N;123.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151401;MM151401;N#CC1(C#N)CC(=O)C1;DEWKZCLJUGKULG-UHFFFAOYSA-N;120.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151402;MM151402;C=CC1(C=C)CC(=O)N1;XASPEPRICOSZRD-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151403;MM151403;C=CC1(C=O)CC(=O)N1;XKWFVOUZIIYHKG-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151404;MM151404;C=CC1(C#N)CC(=O)N1;MXDWVCFEGUICLO-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151405;MM151405;O=CC1(C=O)CC(=O)N1;AQJPUERHXCFZFN-UHFFFAOYSA-N;127.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151406;MM151406;N#CC1(C=O)CC(=O)N1;PIQUJIZERAPWMC-UHFFFAOYSA-N;124.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151407;MM151407;C=CC1(C=C)CC(=O)O1;YPAKNMVIOUHFKN-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151408;MM151408;C=CC1(C=O)CC(=O)O1;PCBIPJOPUADYEV-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151409;MM151409;C=CC1(C#N)CC(=O)O1;QYKFEXXFFSWXJB-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151410;MM151410;O=CC1(C=O)CC(=O)O1;RQAJNHUXIOVWOO-UHFFFAOYSA-N;128.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151411;MM151411;N#CC1(C=O)CC(=O)O1;XROUAWPTRVBBNL-UHFFFAOYSA-N;125.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151412;MM151412;COC(C)C(C=O)=NO;YHKJCHIZUUQNLM-UHFFFAOYSA-N;131.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151413;MM151413;C#CC1(C=C)CC(=O)C1;GZDBGBJSJDQENB-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151414;MM151414;C#CC1(C=O)CC(=O)C1;LUVFHRWGKNTCCB-UHFFFAOYSA-N;122.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151415;MM151415;C#CC1(C#N)CC(=O)C1;FKGGGWJGOXXYAG-UHFFFAOYSA-N;119.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151416;MM151416;C#CC1(C=C)CC(=O)N1;HSUIJEOZIFBVBJ-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151417;MM151417;C#CC1(C=O)CC(=O)N1;CSJFFDLJLZSBQC-UHFFFAOYSA-N;123.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151418;MM151418;C#CC1(C#N)CC(=O)N1;XFFUGVQXVNQPHB-UHFFFAOYSA-N;120.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151419;MM151419;C#CC1(C=C)CC(=O)O1;WLCZXFHWDSMYFU-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151420;MM151420;C#CC1(C=O)CC(=O)O1;XOYQDYCUMVUKFU-UHFFFAOYSA-N;124.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151421;MM151421;C#CC1(C#N)CC(=O)O1;JASGICXTVISMIS-UHFFFAOYSA-N;121.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151422;MM151422;C#CC1(C#C)CC(=O)C1;SKSPHRHGZVRTMI-UHFFFAOYSA-N;118.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151423;MM151423;C#CC1(C#C)CC(=O)N1;YTOAJTHQUQXQGR-UHFFFAOYSA-N;119.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151424;MM151424;C#CC1(C#C)CC(=O)O1;NCXLPUQBCQXQHU-UHFFFAOYSA-N;120.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151425;MM151425;CCC1(CC(C)C)CC1;HSVKIRVDAHQWDU-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151426;MM151426;CC(C)CC1(CN)CC1;FJVWLVQWNGHATO-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151427;MM151427;NNC(=O)CC(CF)CF;ASKZFSLOQLHJFV-UHFFFAOYSA-N;152.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151428;MM151428;CC(C)CC1(CF)CC1;LCJMULZDZOVOFO-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151429;MM151429;CCC1(CC(C)N)CC1;AQPNJSVUXQNRBY-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151430;MM151430;CC(N)CC1(CN)CC1;OIIWDKMUUAQQTE-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151431;MM151431;CC(N)CC1(CO)CC1;FVXJYWDTIFFJNM-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151432;MM151432;CC(N)CC1(CF)CC1;NKLDZGDLTANEDY-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151433;MM151433;NNC(=O)CC(=CF)CO;STMNAGMEKSCFQP-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151434;MM151434;CC(O)CC1(CN)CC1;HMEBNANCPDIXTA-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151435;MM151435;CC(O)CC1(CO)CC1;IHZYSSJEMYIZBA-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151436;MM151436;CC(O)CC1(CF)CC1;VOKPKBKPWVKLOI-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151437;MM151437;CCC1(CC(C)F)CC1;GGOSBNVGYRWTRW-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151438;MM151438;CC(F)CC1(CN)CC1;CTVYNGVNAWMRPU-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151439;MM151439;CC(F)CC1(CO)CC1;LUXYUWBDJIZENM-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151440;MM151440;CC(F)CC1(CF)CC1;BLPUREQEILIJSV-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151441;MM151441;CCC1(CC(F)F)CC1;PADHKTJLVJDDEF-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151442;MM151442;NCC1(CC(F)F)CC1;KRPJNXBEHPHDHP-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151443;MM151443;OCC1(CC(F)F)CC1;OYVKBVGEXWKUHE-UHFFFAOYSA-N;136.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151444;MM151444;CNC1(CC(C)C)CC1;LRPUPGSEHLZAKV-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151445;MM151445;CNC1(CC(C)N)CC1;ISAYJUSBMFDPIO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151446;MM151446;CNC1(CC(C)O)CC1;JSGUJTASMPHCLH-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151447;MM151447;CNC1(CC(C)F)CC1;CELBEWANXIJYMW-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151448;MM151448;CNC1(CC(F)F)CC1;WVEIMXCWFKKSML-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151449;MM151449;COC1(CC(C)C)CC1;YFLLKUZSNVVGBF-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151450;MM151450;COC1(CC(C)N)CC1;LREHNZMNFFUHNE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151451;MM151451;COC1(CC(C)O)CC1;PWYUNNVAEMXLMC-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151452;MM151452;COC1(CC(C)F)CC1;SDVBXXMQKYFCLD-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151453;MM151453;COC1(CC(F)F)CC1;ZLVSPCOWSBFNQU-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151454;MM151454;CCC1(NC(C)C)CC1;YZRFRGYEDCPDMD-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151455;MM151455;CC(C)NC1(CN)CC1;DVINZQCUZDVNMQ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151456;MM151456;CC(C)NC1(CO)CC1;AOWHXGPTPSIBLA-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151457;MM151457;CC(C)NC1(CF)CC1;OJNVWRZNOMAMQW-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151458;MM151458;CCC1(OC(C)C)CC1;MXSXHSSTPYPFNO-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151459;MM151459;CC(C)OC1(CN)CC1;HUYTVONSXWYQAD-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151460;MM151460;CC(C)OC1(CO)CC1;PUGZVSOYHFAFHE-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151461;MM151461;CC(C)OC1(CF)CC1;QKRAUJLYKFHURH-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151462;MM151462;COC1(OC(C)C)CC1;LLMTWDZCSQSXNC-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151463;MM151463;CCC1(CN(C)C)CC1;QFFLWRKMGVLPQC-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151464;MM151464;CN(C)CC1(CN)CC1;QOJIQNDDIYNVJK-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151465;MM151465;CN(C)CC1(CO)CC1;OCYZABOUZSORIT-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151466;MM151466;CN(C)CC1(CF)CC1;ULPQKPZBTQKFFZ-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151467;MM151467;CNC1(CN(C)C)CC1;CBWBENACFYOAKU-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151468;MM151468;COC1(CN(C)C)CC1;RAGOCLOMPSSPLD-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151469;MM151469;CC(C)CC1(CN)CN1;RGAZQLCSPFPZPX-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151470;MM151470;CC(C)CC1(CF)CN1;LCQGWDUMSSVTDS-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151471;MM151471;CCC1(CC(C)N)CN1;YDTDQUPZFRTHQF-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151472;MM151472;CC(N)CC1(CN)CN1;QHLYFGZFQODFQA-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151473;MM151473;CC(N)CC1(CO)CN1;ZMHBQKIFIWONQS-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151474;MM151474;CC(N)CC1(CF)CN1;HBPQWUNPIGWMNS-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151475;MM151475;CC(O)CC1(CN)CN1;XPHGXDKBJPBQJN-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151476;MM151476;C=CC(=O)NC(=NO)NC;HXRXIZRVQZJBRJ-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151477;MM151477;CC(F)CC1(CN)CN1;FWWAAPSUTPEPBZ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151478;MM151478;CC(F)CC1(CF)CN1;BKQHAURGVAAEEN-UHFFFAOYSA-N;135.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151479;MM151479;NCC1(CC(F)F)CN1;UPOIAZPCKOYJGS-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151480;MM151480;CCC1(CN(C)C)CN1;UXQFACSMADHSCA-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151481;MM151481;CN(C)CC1(CN)CN1;CVLKUAFURMMQOM-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151482;MM151482;CCC1(CC(C)C)CO1;GERXWZGAKRFQKH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151483;MM151483;CC(C)CC1(CN)CO1;SPFACMNVCIYWGN-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151484;MM151484;CC(C)CC1(CO)CO1;MSSWNAAQGIZJQC-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151485;MM151485;CCC1(CC(C)N)CO1;FTNISBILIRDSSO-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151486;MM151486;CC(N)CC1(CN)CO1;QGOVJNZTORFQJL-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151487;MM151487;CC(N)CC1(CO)CO1;MELJFCAHVNDIKF-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151488;MM151488;CCC1(CC(C)O)CO1;FTWYXDBGOBUXST-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151489;MM151489;CC(O)CC1(CN)CO1;YFIVMGKGTBWVKK-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151490;MM151490;CC(O)CC1(CO)CO1;YLFSPARBLNNJAF-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151491;MM151491;CC(O)CC1(CF)CO1;LZTHIEXYLADDSI-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151492;MM151492;CCC1(CC(C)F)CO1;WAAYEOYORZZSIQ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151493;MM151493;CC(F)CC1(CN)CO1;KOGOQHGRUCXIRL-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151494;MM151494;CC(F)CC1(CO)CO1;XZEBNDBPJKAVIW-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151495;MM151495;CC(F)CC1(CF)CO1;DZWDKQCHPWQXCA-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151496;MM151496;CCC1(CC(F)F)CO1;GQQXPJXCTWUUFA-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151497;MM151497;NCC1(CC(F)F)CO1;ICLPIUQZEBOVKN-UHFFFAOYSA-N;137.13;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151498;MM151498;CCC1(CN(C)C)CO1;ABUYWMXFPJWMDH-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151499;MM151499;CN(C)CC1(CN)CO1;KFZLMSHHWWJSGC-UHFFFAOYSA-N;130.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151500;MM151500;C=CC1(CC(C)C)CC1;KVBBLSIIXVIQDZ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151501;MM151501;CC(C)CC1(C=O)CC1;RHCRHGDYGDYPRM-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151502;MM151502;CC(C)CC1(C#N)CC1;AFSAIIFAUDRCBS-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151503;MM151503;C=CC1(CC(C)N)CC1;ZAZSLFDSTYVGPL-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151504;MM151504;C#CC(=CC)NC(=O)NN;VKUFCPZEJKSAJX-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151505;MM151505;CC(O)CC1(C=O)CC1;VVXRYGLVUNZCLJ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151506;MM151506;CC(O)CC1(C#N)CC1;ZZKQXELQWBORRQ-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151507;MM151507;C=CC1(CC(C)F)CC1;MLRMGLIBPWCBFB-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151508;MM151508;CC(F)CC1(C=O)CC1;QUFRRLRWMXUWQN-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151509;MM151509;CC(F)CC1(C#N)CC1;YUOCFBUXCFOELN-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151510;MM151510;C=CC1(CC(F)F)CC1;OKCOTLMQORUMRY-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151511;MM151511;O=CC1(CC(F)F)CC1;NIPPXXVEUONJPV-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151512;MM151512;N#CC1(CC(F)F)CC1;PPCDNJHCLITSJN-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151513;MM151513;C=CC1(NC(C)C)CC1;XVJCGQVDDBWYCK-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151514;MM151514;CC(C)NC1(C=O)CC1;DTNAJQLXARTRGU-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151515;MM151515;CC(C)NC1(C#N)CC1;PVSMHCFHDUMHHN-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151516;MM151516;C=CC1(OC(C)C)CC1;ZYLJYPMQASLWQK-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151517;MM151517;CC(C)OC1(C=O)CC1;HSSAOHXJQSJYOB-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151518;MM151518;CC(C)OC1(C#N)CC1;CQTWILUKKHFUQT-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151519;MM151519;C=CC1(CN(C)C)CC1;AUKFOHBCVXUKFT-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151520;MM151520;CN(C)CC1(C=O)CC1;PYVVSQVVLKENBH-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151521;MM151521;CC(C)CC1(C=O)CN1;OTWPNGGBSCLRPX-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151522;MM151522;CC(C)CC1(C#N)CN1;XDKALGUCGLPGER-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151523;MM151523;C=CC1(CC(C)N)CN1;VOXRIAKQQQOBEX-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151524;MM151524;C#CC(O)C(O)C(C)=NN;FWNFXAMOYFQHAM-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151525;MM151525;CC=NOC(C)C(=O)NN;ZOFOGAYHQWLUOF-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151526;MM151526;CC(F)CC1(C=O)CN1;KXBWBCSIUXDDBC-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151527;MM151527;CC(F)CC1(C#N)CN1;WYASEZSDLXOJLJ-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151528;MM151528;C=CC1(CC(F)F)CN1;BPEXJBVZXAKGDP-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151529;MM151529;O=CC1(CC(F)F)CN1;GTPBWPQSFRQEBY-UHFFFAOYSA-N;135.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151530;MM151530;N#CC1(CC(F)F)CN1;DMIIVVYJGKOUSR-UHFFFAOYSA-N;132.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151531;MM151531;C=CC1(CN(C)C)CN1;HSVGZCXSOICDGZ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151532;MM151532;CN(C)CC1(C#N)CN1;IKXLJLQQVAMKEN-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151533;MM151533;C=CC1(CC(C)C)CO1;NIPDKIPAVULTQD-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151534;MM151534;CC(C)CC1(C=O)CO1;DFYZJGXPDDNUNQ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151535;MM151535;CC(C)CC1(C#N)CO1;REFUNQIYZUQBJV-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151536;MM151536;C=CC1(CC(C)N)CO1;BBQQBWIGIUQKMK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151537;MM151537;C=CC1(CC(C)O)CO1;ALRHFAARKCNVPT-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151538;MM151538;CC(O)CC1(C=O)CO1;ZDQDGGDPQPHQBH-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151539;MM151539;CC(O)CC1(C#N)CO1;XQMPFKLKAUHOIQ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151540;MM151540;C=CC1(CC(C)F)CO1;LBTNHGLAFWGYMC-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151541;MM151541;CC(F)CC1(C=O)CO1;XGWTUYXYHUKALM-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151542;MM151542;CC(F)CC1(C#N)CO1;JHEJQQVTFGBQTN-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151543;MM151543;C=CC1(CC(F)F)CO1;KDXKZKQUMPKDLU-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151544;MM151544;O=CC1(CC(F)F)CO1;ZYYPNFKHCDBESF-UHFFFAOYSA-N;136.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151545;MM151545;N#CC1(CC(F)F)CO1;FNENQOJTMSPOIV-UHFFFAOYSA-N;133.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151546;MM151546;C=CC1(CN(C)C)CO1;IAYQYSUBRPGGPC-UHFFFAOYSA-N;127.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151547;MM151547;CN(C)CC1(C#N)CO1;ZZNREEVLQUJCIY-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151548;MM151548;C#CC1(CC(C)C)CC1;XAIOPUDRGHOVAM-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151549;MM151549;C#CC1(CC(C)N)CC1;OXDDABIMHHRHRS-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151550;MM151550;CC#CC(=CN)C(=O)NN;WUTXIGSGBPLLES-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151551;MM151551;C#CC1(CC(C)F)CC1;MXZGUDNKUBVSBA-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151552;MM151552;C#CC1(CC(F)F)CC1;KAWYGZWYVJQNLG-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151553;MM151553;C#CC1(NC(C)C)CC1;OHKXREAHGKKMBS-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151554;MM151554;C#CC1(OC(C)C)CC1;WJAYTVUQMFGHKM-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151555;MM151555;C#CC1(CN(C)C)CC1;CVTCSASAZDMNTC-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151556;MM151556;C#CC1(CC(C)C)CN1;NWNKVBIYPZRREA-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151557;MM151557;C#CC1(CC(C)N)CN1;DQVCZLHHQPNXGE-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151558;MM151558;CONC(=NO)NCCO;NCMZUQLTKZWVTB-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151559;MM151559;C#CC1(CC(C)F)CN1;JQPFVFBUSZWCQS-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151560;MM151560;C#CC1(CC(C)C)CO1;XULOPPIJFISZMG-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151561;MM151561;C#CC1(CC(C)N)CO1;UBDFIYBAAXCABB-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151562;MM151562;C#CC1(CC(C)O)CO1;YABHATGHTTXJCK-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151563;MM151563;C#CC1(CC(C)F)CO1;KFHAOLKIMIEZJZ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151564;MM151564;C#CC1(CC(F)F)CO1;HYKZHILBNSHTBN-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151565;MM151565;C=C(C)CC1(CC)CC1;HNCRFASAHAFTDO-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151566;MM151566;C=C(C)CC1(CN)CC1;NTLDZUQQGIUXQY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151567;MM151567;NNC(=NO)N(N)CCF;QEBORSAKPQQBFW-UHFFFAOYSA-N;151.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151568;MM151568;CCC1(CC(C)=O)CC1;NZLJWJZZUJRJDG-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151569;MM151569;CC(=O)CC1(CF)CC1;KRAONDUMFWWCFH-UHFFFAOYSA-N;130.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151570;MM151570;CCC1(CC(=N)N)CC1;ADMRQEGADUAFQB-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151571;MM151571;N=C(N)CC1(CN)CC1;YAZNPLGLQFTVCB-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151572;MM151572;N=C(N)CC1(CF)CC1;BPNSSWSPJDABMP-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151573;MM151573;CNNC(=O)C(C=O)=CN;AURKGRDKGKKMIG-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151574;MM151574;NCC1(CC(N)=O)CC1;HVLMPZKZNIVYOE-UHFFFAOYSA-N;128.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151575;MM151575;NC(=O)CC1(CO)CC1;VKCVBACLYCXPIX-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151576;MM151576;NC(=O)CC1(CF)CC1;RDVTVVUIQGRRMM-UHFFFAOYSA-N;131.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151577;MM151577;CCC1(CC(=O)O)CC1;WBBQXJQRPOWIDZ-UHFFFAOYSA-N;128.17;1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151578;MM151578;C#Cc1nnc(C#N)n1O;WVAPDXSOTVCFJF-UHFFFAOYSA-N;134.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151579;MM151579;C=C(F)CC1(CC)CC1;PJVODDBBIGCNRV-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151580;MM151580;C=C(F)CC1(CN)CC1;MNMDEYDHPINQLY-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151581;MM151581;C=C(F)CC1(CO)CC1;KQJQCRAWFGOKIQ-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151582;MM151582;C=C(C)CC1(NC)CC1;FZUIMPYEBQEOSW-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151583;MM151583;CNC1(CC(C)=O)CC1;LLWQTJNIIREUHY-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151584;MM151584;CNC1(CC(=N)N)CC1;FYAWZWXRQCZGFB-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151585;MM151585;CNC1(CC(N)=O)CC1;CYYNCAJZHVQOIS-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151586;MM151586;C=C(F)CC1(NC)CC1;SPUCVHFSYLQVQE-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151587;MM151587;C=C(C)CC1(OC)CC1;XHRYZPLMXKFPFV-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151588;MM151588;COC1(CC(C)=O)CC1;ONQSSUGMZDNKRU-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151589;MM151589;COC1(CC(=N)N)CC1;OVRBDKUSVIWRGP-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151590;MM151590;COC1(CC(N)=O)CC1;ZDFYBGCRKXLGKL-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151591;MM151591;COC(=NO)C(O)C(C)=O;FROBYAPVSFNRAM-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151592;MM151592;C=C(F)CC1(OC)CC1;COUHVEMQMMGGAT-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151593;MM151593;CCC1(NC(C)=N)CC1;FUJRQMNRSLGVLC-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151594;MM151594;CC(=N)NC1(CN)CC1;ZUZQSXBDEMQZQG-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151595;MM151595;CC(=N)NC1(CO)CC1;QWYIZGTXCRXXOS-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151596;MM151596;CC(=N)NC1(CF)CC1;ALGPMDOZJFRKLK-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151597;MM151597;N#CCc1ccn(C=N)n1;MOXUCEHMORTDNW-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151598;MM151598;CC(=O)NC1(CN)CC1;YKYDGZMTIQUUFJ-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151599;MM151599;CC(=O)NC1(CO)CC1;BKRSTVGIGSEOKI-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151600;MM151600;CC(=O)NC1(CF)CC1;RVYAUUGXEUHMNU-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151601;MM151601;CCC1(NC(=N)N)CC1;SBOFRUYRZOPEGD-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151602;MM151602;N=C(N)NC1(CN)CC1;OVTMTNXRFSTGOG-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151603;MM151603;N=C(N)NC1(CO)CC1;LZGJZHXMNALVLP-UHFFFAOYSA-N;129.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151604;MM151604;N=C(N)NC1(CF)CC1;RGIVHGGZEWIGTE-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151605;MM151605;CCC1(NC(N)=O)CC1;ZIQWNWCRTKGQSO-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151606;MM151606;NCC1(NC(N)=O)CC1;NMBGQJMDLJMZTM-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151607;MM151607;NC(=O)NC1(CO)CC1;HHYQYARBQMLNET-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151608;MM151608;NC(=O)NC1(CF)CC1;CCPQXXVAPYLABK-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151609;MM151609;C=C(C)OC1(CC)CC1;KEAOPIUENORNAL-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151610;MM151610;C=C(C)OC1(CN)CC1;UAOZBYMTVNAHQX-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151611;MM151611;C=C(C)OC1(CO)CC1;FZPHNYRHXVYKSL-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151612;MM151612;C=C(C)OC1(CF)CC1;LXWKUMXKKKENSK-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151613;MM151613;CCC1(OC(C)=O)CC1;CUKDKGSMLQCGAW-UHFFFAOYSA-N;128.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151614;MM151614;CC(=O)OC1(CN)CC1;UUOOPZZNVYVGBU-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151615;MM151615;CCC1(OC(=N)N)CC1;PVNMLLZSQRCZSP-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151616;MM151616;N=C(N)OC1(CN)CC1;AKGOCXJYKQQNCV-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151617;MM151617;N=C(N)OC1(CO)CC1;IBCQYJOFCUVNQL-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151618;MM151618;CCC1(OC(N)=O)CC1;HXAQBSTVMODFNK-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151619;MM151619;NCC1(OC(N)=O)CC1;SODFNSDCBUUCIO-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151620;MM151620;NC(=O)OC1(CO)CC1;BPNVKPVZODONBS-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151621;MM151621;NC(=O)OC1(CF)CC1;KSNRRPMFNCXQQH-UHFFFAOYSA-N;133.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151622;MM151622;C=C(C)OC1(OC)CC1;WKJAIBRPCBDWBH-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151623;MM151623;COC1(OC(C)=O)CC1;WHKXQZKTESGGBU-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151624;MM151624;COC1(OC(=N)N)CC1;PLFBJLFYJKMJLW-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151625;MM151625;COC1(OC(N)=O)CC1;IZOZOKYDVBGBFF-UHFFFAOYSA-N;131.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151626;MM151626;C=C(C)CC1(CN)CN1;MFOFFWHIFWUCBT-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151627;MM151627;O=CN=C(NO)NO;QGNQLSQCIANPKC-UHFFFAOYSA-N;119.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151628;MM151628;CCC1(CC(=N)N)CN1;QEFQYYFGNRCBQU-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151629;MM151629;N=C(N)CC1(CN)CN1;YEEQEVMXQHVUFR-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151630;MM151630;NCC1(CC(N)=O)CN1;RGUKNKGIMPQPAS-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151631;MM151631;N#CC1=C(N)C=CC1;QUENOAPRFSEAKK-UHFFFAOYSA-N;106.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151632;MM151632;N=C(CF)NNC(N)=O;BWDQITOGOVZTJO-UHFFFAOYSA-N;134.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151633;MM151633;NN=c1ccon(O)c1=O;ZZPZCCQGAUQOJD-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151634;MM151634;C=C(F)CC1(CN)CN1;RZDCQAKBCZHKAN-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151635;MM151635;C=C(C)CC1(CC)CO1;VUZZEZGPEWXNPL-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151636;MM151636;C=C(C)CC1(CN)CO1;BWDVEUZNAVQFMQ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151637;MM151637;CCC1(CC(C)=O)CO1;ZTUJYASJWSWOER-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151638;MM151638;CC(=O)CC1(CO)CO1;ZIGAZZWNVCWVCS-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151639;MM151639;CC(=O)CC1(CF)CO1;ADVSSDMYNANINS-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151640;MM151640;CCC1(CC(=N)N)CO1;IZNKHMPKPBEFEW-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151641;MM151641;N=C(N)CC1(CN)CO1;TXZSJESOPBIQQV-UHFFFAOYSA-N;129.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151642;MM151642;CCC1(CC(N)=O)CO1;UGMGEKGOBVVQKJ-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151643;MM151643;NCC1(CC(N)=O)CO1;DZERLCXEOGLDNG-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151644;MM151644;NC(=O)CC1(CO)CO1;OLXWXRPQDTUDPW-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151645;MM151645;CC#CC(=NO)C(F)CO;AZIXNWIABFINTD-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151646;MM151646;C=C(F)CC1(CC)CO1;MCPNBRVXFKRKGM-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151647;MM151647;C=C(F)CC1(CN)CO1;YXVGZWHQDLHSSJ-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151648;MM151648;C=C(F)CC1(CO)CO1;YUNRHWDWCMKFTH-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151649;MM151649;C=CC1(CC(=C)C)CC1;DCKXDMVDTGHFLK-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151650;MM151650;C=C(C)CC1(C=O)CC1;KRTODDYGZAKWPG-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151651;MM151651;C=C(C)CC1(C#N)CC1;ZRMBBFFEYOOGMV-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151652;MM151652;C=CC1(CC(C)=O)CC1;MWSRQGIPYWDRMN-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151653;MM151653;CC(=O)CC1(C=O)CC1;SQYPMQYBGHFITL-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151654;MM151654;CC(=O)CC1(C#N)CC1;QVPVIIABQPDKSD-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151655;MM151655;C=CC1(CC(=N)N)CC1;USMNEHMWCREJSW-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151656;MM151656;N=C(N)CC1(C=O)CC1;JUBRAHWNKJDJLC-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151657;MM151657;N#CC1(CC(=N)N)CC1;XCKNZHGQXISFJC-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151658;MM151658;CC#CCNNC(N)=O;VBMFSBGTQJGAKM-UHFFFAOYSA-N;127.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151659;MM151659;NC(=O)CC1(C=O)CC1;LZFSPQWGVGEWFQ-UHFFFAOYSA-N;127.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151660;MM151660;N#CC1(CC(N)=O)CC1;HCQVJCPQRTYCEW-UHFFFAOYSA-N;124.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151661;MM151661;C=CC1(CC(=O)O)CC1;VMXFLQZLCQIDFM-UHFFFAOYSA-N;126.16;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151662;MM151662;CCCC(=NO)C(O)C#N;GMPBEFIXNNSKMY-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151663;MM151663;N#CC1(CC(=O)O)CC1;NOZDYYIGNWYVNI-UHFFFAOYSA-N;125.13;0.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151664;MM151664;C=CC1(CC(=C)F)CC1;BMUQTJFPAZNTOA-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151665;MM151665;C=C(F)CC1(C=O)CC1;CXMDSKLMNZIMNF-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151666;MM151666;C=C(F)CC1(C#N)CC1;HUVVAXRTKBPUJL-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151667;MM151667;C=CC1(NC(C)=N)CC1;CMMZGXMGUNHCFL-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151668;MM151668;CC(=N)NC1(C=O)CC1;UWXRCZQAJKLVFW-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151669;MM151669;CC(=N)NC1(C#N)CC1;MAEAKGMRBAVDLT-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151670;MM151670;C=CC1(NC(C)=O)CC1;JALBKYHUPZEBCI-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151671;MM151671;CC(=O)NC1(C=O)CC1;FTCGQVWLFOQYKI-UHFFFAOYSA-N;127.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151672;MM151672;CC(=O)NC1(C#N)CC1;POKOLQAORAVKHV-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151673;MM151673;C=CC1(NC(=N)N)CC1;IBQSLQVANUQBNL-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151674;MM151674;N=C(N)NC1(C=O)CC1;LEEJIGCNDOQOEH-UHFFFAOYSA-N;127.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151675;MM151675;N#CC1(NC(=N)N)CC1;VIHDGJLIHKIMLQ-UHFFFAOYSA-N;124.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151676;MM151676;C=CC1(NC(N)=O)CC1;DMTHKRLRVXTTAK-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151677;MM151677;NC(=O)NC1(C=O)CC1;LIPOKZXVPPPIKU-UHFFFAOYSA-N;128.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151678;MM151678;N#CC1(NC(N)=O)CC1;XBUSUSNXJICQME-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151679;MM151679;C=CC1(OC(=C)C)CC1;JTYRBPKCEUYQGT-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151680;MM151680;C=C(C)OC1(C=O)CC1;FPZCWGJOYIIHOQ-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151681;MM151681;C=C(C)OC1(C#N)CC1;QXMLYXQUAMCZIM-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151682;MM151682;C=CC1(OC(C)=O)CC1;OTVSKUCTCZDVDV-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151683;MM151683;CC(=O)OC1(C=O)CC1;QYTMAAVTMUPQSY-UHFFFAOYSA-N;128.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151684;MM151684;CC(=O)OC1(C#N)CC1;VCKOIZBSGDSALQ-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151685;MM151685;C=CC1(OC(=N)N)CC1;FPZQXIHVGJYHLT-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151686;MM151686;N=C(N)OC1(C=O)CC1;OZGBCMVKEPBGNF-UHFFFAOYSA-N;128.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151687;MM151687;N#CC1(OC(=N)N)CC1;VUXYAZJVCZSWKO-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151688;MM151688;C=CC1(OC(N)=O)CC1;RYSZSTVKGJJEDL-UHFFFAOYSA-N;127.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151689;MM151689;NC(=O)OC1(C=O)CC1;WVDCFZWMRNWGPN-UHFFFAOYSA-N;129.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151690;MM151690;N#CC1(OC(N)=O)CC1;YQVOYZJRTDIEHY-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151691;MM151691;C=C(C)CC1(C=O)CN1;ANPPYYMIYIOJQM-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151692;MM151692;C=C(C)CC1(C#N)CN1;UJOJMAAKEQNOBI-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151693;MM151693;CCN=C(N)C(=O)NN;MWPRJXCNXIAHQW-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151694;MM151694;C=C(C)C(=NO)N(C)N;CDDJFEYCERJYHM-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151695;MM151695;CC1N=C(NN)C=C1F;HPCRQWHLSARYTR-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151696;MM151696;C=CC1(CC(=N)N)CN1;FHZZTEFJKUTFNN-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151697;MM151697;N=C(N)CC1(C=O)CN1;HWBXOWOHCZVTCF-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151698;MM151698;N#CC1(CC(=N)N)CN1;YIYFTHQRRMVWNP-UHFFFAOYSA-N;124.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151699;MM151699;NN=CNC(=NO)NN;CZGWQDHAIPAJKD-UHFFFAOYSA-N;132.13;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151700;MM151700;N=Cn1ncc(NO)n1;GIMRNYITQPUKQX-UHFFFAOYSA-N;127.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151701;MM151701;N=c1nc2c(co1)OC2;NHFOOAQKPURWIN-UHFFFAOYSA-N;124.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151702;MM151702;C#CC(=O)C(O)C=NO;JQQQDGJIUGZSBY-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151703;MM151703;ON=c1[nH]cc(O)o1;LSDLRXZWUGOKQE-UHFFFAOYSA-N;116.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151704;MM151704;C=C(F)CC1(C=O)CN1;XDKGXSRNAUWWQR-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151705;MM151705;C=C(F)CC1(C#N)CN1;NCMMTAWEPGAXTN-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151706;MM151706;C=CC1(CC(=C)C)CO1;VRIJAUCTFBCHTK-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151707;MM151707;C=C(C)CC1(C=O)CO1;OIYGIMASSNNMSJ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151708;MM151708;C=C(C)CC1(C#N)CO1;LXJFSXVLCZZMGE-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151709;MM151709;C=CC1(CC(C)=O)CO1;RPMGZVOKPOPALR-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151710;MM151710;CC(=O)CC1(C=O)CO1;NVIVBKANXROIIO-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151711;MM151711;CC(=O)CC1(C#N)CO1;KFBDULRFKRVTLV-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151712;MM151712;C=CC1(CC(=N)N)CO1;YUHRRYOXVWRACF-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151713;MM151713;N=C(N)CC1(C=O)CO1;QPSYUPQHHCSKBU-UHFFFAOYSA-N;128.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151714;MM151714;N#CC1(CC(=N)N)CO1;UIYNKXQAWPRTGW-UHFFFAOYSA-N;125.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151715;MM151715;C=CC1(CC(N)=O)CO1;NAOHXUQINBYWSQ-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151716;MM151716;NC(=O)CC1(C=O)CO1;JJOOEBJBIFNURV-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151717;MM151717;N#CC1(CC(N)=O)CO1;DIUOZFBLKGZYBP-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151718;MM151718;C#CC(O)(C=NO)C(C)O;QFKGSZRWRVFTRF-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151719;MM151719;C=C(C)OC(C=NO)OC;BBGUHLASZKYGLU-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151720;MM151720;C=CCn1cc(O)cn1;VQLLTDJJNMZMOB-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151721;MM151721;C=CC1(CC(=C)F)CO1;XNZIMNITEBHFAS-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151722;MM151722;C=C(F)CC1(C=O)CO1;IGWGMPSZURHXLS-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151723;MM151723;C=C(F)CC1(C#N)CO1;DZPGHDMUCDGLNW-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151724;MM151724;C#CC1(CC(=C)C)CC1;BAAKHWOBJJIEOM-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151725;MM151725;C#CC1(CC(C)=O)CC1;VFIPPRHVCJQRNS-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151726;MM151726;C#CC1(CC(=N)N)CC1;TZUFJFKRRKIXRI-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151727;MM151727;C#CC1(CC(N)=O)CC1;RTACQKRDJJMDQR-UHFFFAOYSA-N;123.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151728;MM151728;C#CC1(CC(=O)O)CC1;CERBQHHRNFFYTP-UHFFFAOYSA-N;124.14;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151729;MM151729;C#CC1(CC(=C)F)CC1;NHLOTUHPJLRUNO-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151730;MM151730;C#CC1(NC(C)=N)CC1;IJJNLTYVHOVFAH-UHFFFAOYSA-N;122.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151731;MM151731;C#CC1(NC(C)=O)CC1;HESQDWQEVDMJEI-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151732;MM151732;C#CC1(NC(=N)N)CC1;YUIUHYLQHIJYBD-UHFFFAOYSA-N;123.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151733;MM151733;C#CC1(NC(N)=O)CC1;OPKRTNBJZGKKCN-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151734;MM151734;C#CC1(OC(=C)C)CC1;RROQDRXWIFLPAU-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151735;MM151735;C#CC1(OC(C)=O)CC1;CRNZMRYSJVOBER-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151736;MM151736;C#CC1(OC(=N)N)CC1;IBQHOMQRYXTJSN-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151737;MM151737;C#CC1(OC(N)=O)CC1;RYRZGFJVTKSVNT-UHFFFAOYSA-N;125.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151738;MM151738;C#CC1(CC(=C)C)CN1;HVECBZYPQSOZMY-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151739;MM151739;C#CC(C)(O)C(C#N)NC;BTBBJNUVEXJNBI-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151740;MM151740;C#CC1(CC(=N)N)CN1;LDSFVDPDPINALC-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151741;MM151741;CON=CCC(C)(O)C#N;MRAROSDFMVZZQG-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151742;MM151742;Cc1nc(N)n(O)c(=O)n1;PHIZOZZQWRWQQB-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151743;MM151743;C#CC1(CC(=C)F)CN1;DUPUXYZPFHJVHO-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151744;MM151744;C#CC1(CC(=C)C)CO1;TXWHNLAGNGLQMJ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151745;MM151745;C#CC1(CC(C)=O)CO1;BSDLWGKCQSDRLH-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151746;MM151746;C#CC1(CC(=N)N)CO1;QETZLLIKNWTRCY-UHFFFAOYSA-N;124.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151747;MM151747;C#CC1(CC(N)=O)CO1;WVRIOVDGSIGKBM-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151748;MM151748;CNn1ncc(O)c1C;RJUBLYFXSLQWCA-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151749;MM151749;C#CC1(CC(=C)F)CO1;PWWRJBIAVYWFKM-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151750;MM151750;CCC1CC1C(C)(C)C;VBEOROMWJOAPRP-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151751;MM151751;CC(C)(C)C1CC1CN;NOVNUWRZUKULDA-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151752;MM151752;NC(=O)NNCC(O)CO;FOMSRUREPISWNI-UHFFFAOYSA-N;149.15;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151753;MM151753;CC(C)(C)C1CC1CF;AGDDULGNEVUBED-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151754;MM151754;CCC1CC1C(C)(C)N;KTVDGNORBCOXPB-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151755;MM151755;CC(C)(N)C1CC1CN;QJFDKNLCZNSDMP-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151756;MM151756;CC(C)(N)C1CC1CO;VJCZYCSQUKYVAU-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151757;MM151757;CC(C)(N)C1CC1CF;VTGXJKDQURFUNA-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151758;MM151758;NN=CN(O)CC(=O)NN;GDIYHUXGSBEHCO-UHFFFAOYSA-N;147.14;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151759;MM151759;CC(C)(O)C1CC1CN;SSKOZWFMAAAYIJ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151760;MM151760;CCC1CC1C(C)(C)F;YCRZMJPBJSTQEC-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151761;MM151761;CC(C)(F)C1CC1CN;SPVAHCAZLMMXBH-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151762;MM151762;CC(C)(F)C1CC1CO;OUFUNMBOEGKTAC-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151763;MM151763;CC(C)(F)C1CC1CF;VYFYFLRMVYACFD-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151764;MM151764;CCC1CC1C(C)(F)F;XKFHNUVMWVQTOD-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151765;MM151765;CC(F)(F)C1CC1CN;ZQZTZUAMLXKUHX-UHFFFAOYSA-N;135.16;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151766;MM151766;NCC1CC1C(F)(F)F;YBEXADVXCHNUQP-UHFFFAOYSA-N;139.12;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151767;MM151767;FCC1CC1C(F)(F)F;XVMBGHGUNSOQEM-UHFFFAOYSA-N;142.1;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151768;MM151768;CNC1CC1C(C)(C)C;IPQBHSSCPUVLKO-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151769;MM151769;CNC1CC1C(F)(F)F;BDPGVVXADVLHIZ-UHFFFAOYSA-N;139.12;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151770;MM151770;COC1CC1C(C)(C)O;AWCRHTRLIABORV-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151771;MM151771;COC1CC1C(C)(C)F;BTWUISYWJVXRPE-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151772;MM151772;CC(C)(C)C1NC1CN;VTVVHNHBPADOAM-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151773;MM151773;CCC1NC1C(C)(C)N;LJUJHUZGHHHTPQ-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151774;MM151774;CC(C)(N)C1NC1CN;MAHMKGNRYQVYKT-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151775;MM151775;CC(C)(N)C1NC1CO;LFIOQBPJKIKYCC-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151776;MM151776;CC(C)(N)C1NC1CF;DOLISFCGFAQVTH-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151777;MM151777;CC(C)(O)C1NC1CN;QEFPQUYFYJTKAX-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151778;MM151778;C=C(C)N=C(N)C(=O)NN;CBSRISZPCJZGOJ-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151779;MM151779;CC(C)(F)C1NC1CN;VWQNUOOKNHMWSM-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151780;MM151780;CC(C)=CC(=NO)N(C)N;KLXKJRGCSSGHCU-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151781;MM151781;CC(F)(F)C1NC1CN;LPTTYORFTBPZDB-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151782;MM151782;CN=NC(=CNN)NC=O;CBZPOVODLYXEQS-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151783;MM151783;CC(F)(F)C1NC1CF;FBRNWZMHUHBCCO-UHFFFAOYSA-N;139.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151784;MM151784;CCC1NC1C(F)(F)F;MNNKLTPDYMBXOF-UHFFFAOYSA-N;139.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151785;MM151785;CCC1OC1C(C)(C)C;WIDDJCJBYBUXDX-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151786;MM151786;CC(C)(C)C1OC1CN;RNCAORRLGFKQHQ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151787;MM151787;CCC1OC1C(C)(C)N;SCXPHRPSAVOJDS-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151788;MM151788;CC(C)(N)C1OC1CN;GVRGSSAOKMNEDX-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151789;MM151789;CC(C)(N)C1OC1CO;UZDHCCURVMHTOM-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151790;MM151790;CC(C)(N)C1OC1CF;RYPOEEMUGGACHD-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151791;MM151791;CCC1OC1C(C)(C)O;BNLRKJLNHHUYIU-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151792;MM151792;CC(C)(O)C1OC1CN;UCVYKJBTCYUBGQ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151793;MM151793;CC(C)(O)C1OC1CO;CLOPNPAATKIPOV-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151794;MM151794;CC(C)(O)C1OC1CF;RGGZWOVQJFIWQR-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151795;MM151795;CC(C)(F)C1OC1CN;ZGDNNPQAILOVFZ-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151796;MM151796;CC(F)(F)C1OC1CN;MOSFONOPPKOOAU-UHFFFAOYSA-N;137.13;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151797;MM151797;CC(F)(F)C1OC1CO;NPXNKTSGMIFFCP-UHFFFAOYSA-N;138.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151798;MM151798;CCN1CC1C(C)(C)N;WUAJBPZFUOYMKG-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151799;MM151799;CCN1CC1C(F)(F)F;GPUSLCRISRSRFY-UHFFFAOYSA-N;139.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151800;MM151800;CC(C)(C)N1CC1CN;FHUDXKNKHGUYLX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151801;MM151801;CC(C)(C)N1CC1CF;RIHBCVNPOYQMMH-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151802;MM151802;C=CC1CC1C(C)(C)C;KTPHVQWMJBTYSK-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151803;MM151803;CC(C)(C)C1CC1C=O;RGFYOHJJQNWMNP-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151804;MM151804;CC(C)(C)C1CC1C#N;SGKVAJUDHCJJEE-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151805;MM151805;C=CC1CC1C(C)(C)N;UVCNITPJHJGNPY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151806;MM151806;O=CN1CC(O)(C=O)CN1;YOELOQNKOIGCAO-UHFFFAOYSA-N;144.13;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151807;MM151807;CC(C)(O)C1CC1C#N;BIEIUIBAXPNUII-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151808;MM151808;C=CC1CC1C(C)(C)F;PVGPLCVXJVKPRB-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151809;MM151809;CC(C)(F)C1CC1C=O;ZZAHFXOXDRDTDJ-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151810;MM151810;CC(C)(F)C1CC1C#N;SDJBVTMBMYTDMS-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151811;MM151811;C=CC1CC1C(C)(F)F;HPVDKKANVSINBJ-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151812;MM151812;CC(F)(F)C1CC1C#N;HFVCJQPMWOHFOH-UHFFFAOYSA-N;131.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151813;MM151813;C=CC1CC1C(F)(F)F;VCIHOVRCWYMFSS-UHFFFAOYSA-N;136.12;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151814;MM151814;O=CC1CC1C(F)(F)F;HUVJEFUEIFDUPF-UHFFFAOYSA-N;138.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151815;MM151815;CC(CO)NC(=NO)NO;APQUJUSDVKTUSC-UHFFFAOYSA-N;149.15;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151816;MM151816;CC(C)(C)C1NC1C#N;IQKVJEAQKPPVEL-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151817;MM151817;C=CC1NC1C(C)(C)N;AUVQQMDSWUKAEC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151818;MM151818;C#CC1(CC(=O)NN)CO1;VSBJXXYJSZHHBX-UHFFFAOYSA-N;140.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151819;MM151819;CC(C)(F)C1NC1C#N;LGEDHOQXRBGLGO-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151820;MM151820;C=CC1NC1C(C)(F)F;ZCPOWLUIYAFFHF-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151821;MM151821;CC(=NN=CN)C(O)C=O;ZUSNWIDYRKEYHO-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151822;MM151822;CC(F)(F)C1NC1C#N;OGKZCZFZDJHDID-UHFFFAOYSA-N;132.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151823;MM151823;C=CC1NC1C(F)(F)F;HJXQHFCOAXMXMK-UHFFFAOYSA-N;137.1;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151824;MM151824;N#CC1NC1C(F)(F)F;VWEZLFBBCWUQAM-UHFFFAOYSA-N;136.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151825;MM151825;C=CC1OC1C(C)(C)N;KKYPCVKTWHUHLH-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151826;MM151826;C=CC1OC1C(C)(C)O;JKCDNYFQEKUOTP-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151827;MM151827;CC(C)(O)C1OC1C=O;FPPPFLUYZRENBK-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151828;MM151828;C=CC1OC1C(C)(C)F;XYMXBPFKPZQQAM-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151829;MM151829;CC(C)(F)C1OC1C#N;RMKXDDNESHTYAW-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151830;MM151830;C=CC1OC1C(C)(F)F;SIUIHUVOWQNBQK-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151831;MM151831;CC(C)(C)C1CN1C=N;CGHNYAZOKWHVPR-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151832;MM151832;CC(C)(C)C1CN1C=O;UWLPHZFUUTZZJB-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151833;MM151833;CC(C)(N)C1CN1C=N;QTYDKAHYYWSPAT-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151834;MM151834;CC(C)(N)C1CN1C=O;SNYSEHGRGDHTIH-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151835;MM151835;CC(C)(O)C1CN1C=N;RVVZHWHSQAMTEZ-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151836;MM151836;CC(C)(O)C1CN1C=O;OVPZPSZFLBRPMB-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151837;MM151837;CC(C)(F)C1CN1C=N;KVASCMQXFDIQAE-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151838;MM151838;CC(C)(F)C1CN1C=O;FPBFWJVDHKSUDD-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151839;MM151839;CC(F)(F)C1CN1C=N;ARAVLMOUYWDAMK-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151840;MM151840;CC(F)(F)C1CN1C=O;VIWWGTRDFODFCG-UHFFFAOYSA-N;135.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151841;MM151841;O=CN1CC1C(F)(F)F;VUIWSICZMDUGBY-UHFFFAOYSA-N;139.08;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151842;MM151842;C=NN1CC1C(C)(C)C;KPIKQFGVHGSZLG-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151843;MM151843;C=NN1CC1C(C)(C)N;WAIMNPFGIPDREO-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151844;MM151844;CCCN(OC)C(=O)NN;ZEJMRORXZDLNPF-UHFFFAOYSA-N;147.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151845;MM151845;C=NN1CC1C(C)(C)F;GHPLFORNWXFQSG-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151846;MM151846;C=NN1CC1C(C)(F)F;KCLWBLODEVXHTH-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151847;MM151847;C=NN1CC1C(F)(F)F;FYXOMCVVMVXCBQ-UHFFFAOYSA-N;138.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151848;MM151848;CCON(CC)C(=O)NN;KNNHOMKZCFQFRU-UHFFFAOYSA-N;147.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151849;MM151849;CC(C)(C)N1CC1C#N;BSBUUBUYBRAQMM-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151850;MM151850;C#CC1CC1C(C)(C)C;MHTONLMCFFGZBU-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151851;MM151851;C#CC1CC1C(C)(C)N;QDOMYPYWVXGKSF-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151852;MM151852;C=NNc1c[nH]c(N=O)c1;SKVMTAQEAMLGAR-UHFFFAOYSA-N;138.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151853;MM151853;C#CC1CC1C(C)(C)F;YFGQJUJWDQMZJV-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151854;MM151854;C#CC1CC1C(C)(F)F;IMOKRMUVQMCDPN-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151855;MM151855;C#CC1NC1C(C)(C)C;MLJFFQLWXKDWHM-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151856;MM151856;C#CC1NC1C(C)(C)N;ANQWJUWOBCMNSC-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151857;MM151857;CC(O)C(=O)NN;QCICYPQPGJJZGW-UHFFFAOYSA-N;104.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151858;MM151858;C#CC1NC1C(C)(F)F;RCBHRSVOUGDHEE-UHFFFAOYSA-N;131.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151859;MM151859;C#CC1OC1C(C)(C)C;WIOTYRFDSQXDEX-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151860;MM151860;C#CC1OC1C(C)(C)N;MTEBLRNUTMPEST-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151861;MM151861;C#CC1OC1C(C)(C)O;PFRJLRVKHUTGAI-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151862;MM151862;C#CC1OC1C(F)(F)F;KIHIJPLLWLRTIG-UHFFFAOYSA-N;136.07;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151863;MM151863;C#CC1CN1C(C)(C)C;GJMAGGYTDVNRIW-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151864;MM151864;CC(C)(C)C(N)C1CC1;FOZVQLXEVQCVIO-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151865;MM151865;CC(C1CC1)C(C)(C)N;RBWWOLPAPJFHMI-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151866;MM151866;CC(C)(N)C(N)C1CC1;ZDMQBQIQRRJBHU-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151867;MM151867;CN(C1CC1)C(C)(C)C;WUPYXHGHLCGOOV-UHFFFAOYSA-N;127.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151868;MM151868;CC(C)(C)C(N)C1CN1;KZAVKUYXYWIMIV-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151869;MM151869;CC(C1CN1)C(C)(C)N;XSGMTZLKLOTZEU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151870;MM151870;CC(C1CO1)C(C)(C)C;HIQPGFXYZWMFHA-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151871;MM151871;CC(C1CO1)C(C)(C)N;SYYNBTPGOZCSQV-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151872;MM151872;CC(C1CO1)C(C)(C)O;WZFGXGWOHCKSPX-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151873;MM151873;CC(N1CC1)C(C)(C)N;CJCKTCKDYYVTRD-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151874;MM151874;C=C(C1CC1)C(C)(C)C;XKOXCQYAHSDRCT-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151875;MM151875;C=C(C1CC1)C(C)(C)N;DNTMOLWJTLQYIG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151876;MM151876;OCc1ccn[nH]1;UIEABCXJWANXFS-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151877;MM151877;C=C(C1CN1)C(C)(C)N;AIWIZFVROAUOBI-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151878;MM151878;C=C(C1CO1)C(C)(C)C;RWCUQSUSGDNILH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151879;MM151879;C=C(C1CO1)C(C)(C)N;HCLRNIIIWLCXAO-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151880;MM151880;C=C(C1CO1)C(C)(C)F;GOECWYOVENDRIU-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151881;MM151881;CC(C)(C)C(=N)N1CC1;AOIJDZAWGJHQIM-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151882;MM151882;CC(C)(N)C(=N)N1CC1;MVOGSHXZFQAXGI-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151883;MM151883;CC(C)(O)C(=N)N1CC1;NUCGFOIJQQWACH-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151884;MM151884;CC(C)(C)CCC1CC1;FCDUIPPAXXCIAJ-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151885;MM151885;CC(C)(N)CCC1CC1;ZQAXJJKPIGGFPF-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151886;MM151886;Cc1[nH]c(N)nc1F;UNZPRKHDDJXYBY-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151887;MM151887;CC(C)(F)CCC1CC1;DXUPQNZIGWCSHL-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151888;MM151888;CC(F)(F)CCC1CC1;RVEVUWKAJVNFBP-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151889;MM151889;CC(C)(C)NCC1CC1;AYXWUFRPWLUZNM-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151890;MM151890;CC(C)(C)OCC1CC1;PGTIPHYWXVHGFM-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151891;MM151891;CC(C)(C)CNC1CC1;UQOJGEKHZBMSRC-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151892;MM151892;CC(C)(N)CNC1CC1;KANTYKBPHZJYFQ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151893;MM151893;CC(C)(O)CNC1CC1;CDVGJQFSRQDLPI-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151894;MM151894;CC(C)(F)CNC1CC1;UUJLHKPEHMPDLL-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151895;MM151895;CC(C)(C)COC1CC1;KJEBCHACCIKZTH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151896;MM151896;CC(C)(N)COC1CC1;GZOHWHWRDNUMKU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151897;MM151897;CC(C)(O)COC1CC1;NSBDMIGSJBTMGL-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151898;MM151898;CC(C)(F)COC1CC1;BRMWPAIIMAAVRZ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151899;MM151899;CC(C)(N)CCC1CN1;DFIVTWLQNFNRDW-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151900;MM151900;CC(C)(C)NCC1CN1;DVCFELNJRYUARO-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151901;MM151901;CC(C)(C)CCC1CO1;WAHCIOYRXXNHEZ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151902;MM151902;CC(C)(N)CCC1CO1;BUIUTVOZAGFTLY-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151903;MM151903;CC(C)(O)CCC1CO1;VQMAOMMVIYKIMT-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151904;MM151904;CC(C)(F)CCC1CO1;DPZZUHRGWNDMCO-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151905;MM151905;CC(C)(C)NCC1CO1;PZMYHLFQJXHHLD-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151906;MM151906;CC(C)(C)OCC1CO1;SFJRUJUEMVAZLM-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151907;MM151907;CC(C)(N)CCN1CC1;LMEJOSGBVYCFQZ-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151908;MM151908;CC(C)(C)C=CC1CC1;NLJDOQNYHAWMQG-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151909;MM151909;CC(C)(N)C=CC1CC1;JEGRGMFNFXBTAJ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151910;MM151910;C=C(OC)C(=O)NN;UMKFGMJZTYHFQT-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151911;MM151911;CC(C)(F)C=CC1CC1;UYMMFKAIRPSRLA-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151912;MM151912;CC(F)(F)C=CC1CC1;BYVCVIQNEPNRJT-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151913;MM151913;CC(C)(N)C=CC1CN1;FCNDTGKDIZMYQY-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151914;MM151914;CC(C)(C)C=CC1CO1;DWABKMHRYYEOJD-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151915;MM151915;CC(C)(N)C=CC1CO1;RQJXFORXTOEAGF-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151916;MM151916;CC(C)(O)C=CC1CO1;NOVGZQJZHRGGMX-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151917;MM151917;CC(C)(F)C=CC1CO1;GQWBPHYVYCIJGP-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151918;MM151918;CC(F)(F)C=CC1CO1;AUDLYPNEKPGRSS-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151919;MM151919;CC(C)(C)N=CN1CC1;JKUOSWIKFRUVBT-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151920;MM151920;CC(C)(C)C=NN1CC1;ZHHRDBNHKOQVQT-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151921;MM151921;CC(C)(N)C=NN1CC1;ACRVQTWRYQNHSI-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151922;MM151922;NNC(=O)CC=CF;XCOWHGCNKSPLLO-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151923;MM151923;CC(C)(F)C=NN1CC1;BOVRVVONSPHPTB-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151924;MM151924;CC(C)(C)C#CC1CC1;NYJVODVIPVMHPD-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151925;MM151925;CC(C)(N)C#CC1CC1;RTDDJZSNBNYQQZ-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151926;MM151926;CC(C)(O)C#CC1CC1;XJNYSXQFWOPJLY-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151927;MM151927;CC(C)(F)C#CC1CC1;OHIDREXKSIHOOQ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151928;MM151928;CC(F)(F)C#CC1CC1;TUWPSBKTRXMFAS-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151929;MM151929;FC(F)(F)C#CC1CC1;LMLCUAVEPPSNMS-UHFFFAOYSA-N;134.1;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151930;MM151930;CC(C)(C)C#CC1CN1;GJQCMCWOZLPDQT-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151931;MM151931;CC(C)(N)C#CC1CN1;BMOFDXVFGDQOTL-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151932;MM151932;Cc1c[nH]c(N=O)c1;AEIMZYXSOIVILK-UHFFFAOYSA-N;110.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151933;MM151933;CC(C)(F)C#CC1CN1;STMYISMPBPNKPE-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151934;MM151934;CC(F)(F)C#CC1CN1;KCASPTWNDWXCRH-UHFFFAOYSA-N;131.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151935;MM151935;CC(C)(C)C#CC1CO1;PYDBEXGCAPASEM-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151936;MM151936;CC(C)(N)C#CC1CO1;FERFTARGLKHUDY-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151937;MM151937;CC(C)(O)C#CC1CO1;ZLTOSWGLUQUQIS-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151938;MM151938;CC(C)(F)C#CC1CO1;MUOJOYDAUFXNAT-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151939;MM151939;CC(F)(F)C#CC1CO1;VDGOXSXUFBGLQJ-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151940;MM151940;CCC(C)(C)C1CC1C;SXJKDKCWBBZJNK-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151941;MM151941;CC1CC1C(C)(C)CN;CXIWBGIJEXFWBL-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151942;MM151942;O=CNNCC=CF;LHRXGRFRWAIOPZ-UHFFFAOYSA-N;118.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151943;MM151943;CC1CC1C(C)(C)CF;QLGSZCCBZXBHQY-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151944;MM151944;CCC(C)(N)C1CC1C;AQYHLZXDLJIQRM-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151945;MM151945;CC1CC1C(C)(N)CN;KJZOWNCVVYJAEY-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151946;MM151946;CC1CC1C(C)(N)CO;VQWOLVYYGICRTA-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151947;MM151947;CC(=O)NNCC=CF;PAYBUGXAIAMEBO-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151948;MM151948;CC1CC1C(C)(O)CN;ZSFGOTMCKDJVJS-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151949;MM151949;CC1CC1C(C)(O)CO;AOLDTICHKVEJDQ-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151950;MM151950;CC1CC1C(C)(O)CF;BVYFKEPAJACCPC-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151951;MM151951;CCC(C)(F)C1CC1C;ZVRGUGRRFFBVKW-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151952;MM151952;CC1CC1C(C)(F)CN;YKZLRHLTHSVGLC-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151953;MM151953;CCC(C)(C)C1CC1N;DCVRJAPLEIOLGN-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151954;MM151954;CC(C)(CN)C1CC1N;GBYZTSPFKFODDD-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151955;MM151955;CC(C)(CO)C1CC1N;DUOJILINRUOALT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151956;MM151956;CCC(C)(N)C1CC1N;XPYRNGWRBLLCKA-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151957;MM151957;CC(N)(CN)C1CC1N;CHJYPCAFQRJFGQ-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151958;MM151958;CC(N)(CO)C1CC1N;PHTBFFRGAMLFKP-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151959;MM151959;CCC(C)(O)C1CC1N;WMAYWNJCFWRWLB-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151960;MM151960;CC(O)(CN)C1CC1N;CTVHBJOLUXYJLV-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151961;MM151961;CCC(C)(F)C1CC1N;PQJZLTIKTQIQEW-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151962;MM151962;CNNC(=O)CC=CF;QDSMLSSYDXRPLQ-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151963;MM151963;CC(C)(CN)C1CC1O;GWAXASFREIFTLN-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151964;MM151964;CC(C)(CF)C1CC1O;JVRFFUGIEMUFPD-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151965;MM151965;CCC(C)(N)C1CC1O;NKCRKTYDQVLFPG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151966;MM151966;CC(N)(CN)C1CC1O;RNUNMNUOSBRTII-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151967;MM151967;CC(N)(CO)C1CC1O;JHPZSXOYEZSNMQ-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151968;MM151968;CCC(C)(O)C1CC1O;KVDYOUGTTDAJLY-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151969;MM151969;CCC(C)(F)C1CC1O;DTUCHXMUTABLJN-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151970;MM151970;CCC(C)(C)C1CC1F;OSIHZBUVHZXKCA-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151971;MM151971;CC(C)(CN)C1CC1F;YKDASUASUPILAA-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151972;MM151972;CC(C)(CF)C1CC1F;IWWRUSYXRBBALT-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151973;MM151973;CCC(C)(N)C1CC1F;ZIROKVUZDGJPIW-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151974;MM151974;CC(N)(CN)C1CC1F;NIFFGDWKHQXPQW-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151975;MM151975;CC(N)(CO)C1CC1F;RHKCLQRVWJGOSA-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151976;MM151976;CCC(C)(O)C1CC1F;IJZQQWVSZMEKSB-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151977;MM151977;CCC(C)(F)C1CC1F;ZEBYJPYFLPURRV-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151978;MM151978;CC(F)(CN)C1CC1F;LXBNXCYIGWCRPM-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151979;MM151979;CNC(C)(C)C1CC1C;NHNFNNNDGFZPDX-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151980;MM151980;CNC(C)(C)C1CC1N;XAIWQPYCQXLNMK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151981;MM151981;CNC(C)(C)C1CC1O;IAGXFYSILFDHLB-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151982;MM151982;CNC(C)(C)C1CC1F;WEQLWKQARMSSDK-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151983;MM151983;COC(C)(C)C1CC1C;NTQPHMLMYPPLPU-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151984;MM151984;COC(C)(C)C1CC1N;BCDWVBDRDWZKOE-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151985;MM151985;COC(C)(C)C1CC1O;YQECTDDKDWISRC-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151986;MM151986;COC(C)(C)C1CC1F;OBXOPFIGEQOVOT-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151987;MM151987;CC1NC1C(C)(C)CN;KYXORWSCYAXAOA-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151988;MM151988;CCC(C)(N)C1NC1C;RKXSRFPZXUONGL-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151989;MM151989;CC1NC1C(C)(N)CN;UEDCSBKZXKLJLQ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151990;MM151990;CC1NC1C(C)(N)CO;LBRBPHPDEISRGF-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151991;MM151991;CC1NC1C(C)(N)CF;DYPPZRHXLZSUNN-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151992;MM151992;CC1NC1C(C)(O)CN;ZKMSBJDELXYDSU-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151993;MM151993;CNC(C)(C)C1NC1C;RMSOTUDLFISLJN-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151994;MM151994;CCC(C)(C)C1OC1C;RTZFRIGZVZYMBY-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151995;MM151995;CC1OC1C(C)(C)CN;IQNQBFLPYKYCNV-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151996;MM151996;CC1OC1C(C)(C)CO;LACXSKPAPLAOST-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151997;MM151997;CC1OC1C(C)(C)CF;VYFGABSWRVTJFG-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151998;MM151998;CCC(C)(N)C1OC1C;PLVDOEXFUJNHCU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM151999;MM151999;CC1OC1C(C)(N)CN;PHJPQALFWWHTCU-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152000;MM152000;CC1OC1C(C)(N)CO;KONBVXVIDFYOLI-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152001;MM152001;CC1OC1C(C)(N)CF;IQSLDDWXLVKYDX-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152002;MM152002;CCC(C)(O)C1OC1C;HOFFBALYOGHGJW-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152003;MM152003;CC1OC1C(C)(O)CN;BDLKFGATOQJBDC-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152004;MM152004;CCC(C)(F)C1OC1C;CKKOCBWRRQKUSZ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152005;MM152005;CNC(C)(C)C1OC1C;XNNJDOBNVBQMMR-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152006;MM152006;COC(C)(C)C1OC1C;JUIUHNJDGNPUFW-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152007;MM152007;CN1CC1C(C)(C)CN;BQAUCDJEIFPNFF-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152008;MM152008;CC(=NO)N(C)C1CC1;CIDLAFYLLWBJEN-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152009;MM152009;CN1CC1C(C)(C)CF;DNSNCTDPCDEUMD-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152010;MM152010;CCC(C)(N)C1CN1C;OAXXZDRZDHRTPN-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152011;MM152011;CN1CC1C(C)(N)CN;YJNIBYIYMXAZOS-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152012;MM152012;CN1CC1C(C)(N)CO;GOHOSMFJBLJTBH-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152013;MM152013;CN1CC1C(C)(O)CN;UDWDUCCCPLLOCK-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152014;MM152014;CC#CC(C)(O)C(C)=NN;LPKSYPSZPHJONS-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152015;MM152015;CNC(C)(C)C1CN1C;BKLFIEHTENTZFJ-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152016;MM152016;CC1CN1C(C)(C)CN;XCCYWOQRTCWGQA-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152017;MM152017;C=CC(C)(C)C1CC1C;BDGKPNDUTGZRQQ-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152018;MM152018;CC1CC1C(C)(C)C=O;NYWJQDKJXCUMRM-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152019;MM152019;CC1CC1C(C)(C)C#N;JTEOXNUWPPXVBK-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152020;MM152020;C=CC(C)(N)C1CC1C;GKUYVITXLACTTK-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152021;MM152021;N#CC(O)CC(=O)C(=N)N;GPSYVQNADKXEOT-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152022;MM152022;CC1CC1C(C)(O)C=O;KVMZOFGXWBTYCM-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152023;MM152023;CC1CC1C(C)(O)C#N;YOROCCDOMAGIKY-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152024;MM152024;C=CC(C)(F)C1CC1C;HCVZPJLGFSAFNB-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152025;MM152025;CC1CC1C(C)(F)C=O;AKDMYZHMAZRZNX-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152026;MM152026;CC1CC1C(C)(F)C#N;MULMXGRXCOCSDH-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152027;MM152027;C=CC(C)(C)C1CC1N;YUIUCYMPUYCRDS-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152028;MM152028;C=CC(C)(N)C1CC1N;CKMOQNPVRWQQDY-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152029;MM152029;C=CC(C)(O)C1CC1N;XWKHJIUKEKEJGQ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152030;MM152030;C=CC(C)(F)C1CC1N;HSNLUWXNKIGSKE-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152031;MM152031;CC(C)ON=CC(=O)NN;MOMMYTRAVTVRFE-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152032;MM152032;CC(C)(C=O)C1CC1O;JAEHUDVXQVCEDJ-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152033;MM152033;CC(C)(C#N)C1CC1O;ZGRAUOQDOGXULG-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152034;MM152034;C=CC(C)(N)C1CC1O;RQECLDHVGSZASB-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152035;MM152035;C=CC(C)(O)C1CC1O;MRCPGLHNCKGLFS-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152036;MM152036;CC(O)(C=O)C1CC1O;UYQYWLQTOSPEMQ-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152037;MM152037;CC(O)(C#N)C1CC1O;PKHBEPXMGBLNEG-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152038;MM152038;CC(F)(C=O)C1CC1O;FTJFIELTBRZPEO-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152039;MM152039;C=CC(C)(C)C1CC1F;MHSYPXHTEJWMTM-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152040;MM152040;CC(C)(C=O)C1CC1F;PURNZFFPWNBGGZ-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152041;MM152041;CC(C)(C#N)C1CC1F;QKOAAGQFEDFMHP-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152042;MM152042;C=CC(C)(N)C1CC1F;LBBPPFNXLIDUAN-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152043;MM152043;C=CC(C)(O)C1CC1F;QAPWYHBUYFMMTO-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152044;MM152044;CC(O)(C=O)C1CC1F;KFLIITDLQDVLGU-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152045;MM152045;CC(O)(C#N)C1CC1F;CCTOTJPZDASZAP-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152046;MM152046;CC(F)(C=O)C1CC1F;LDFCVDDUSIUBDN-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152047;MM152047;CC(F)(C#N)C1CC1F;DLIZGNHOGDWZMM-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152048;MM152048;CC1NC1C(C)(C)C#N;PRGIRXAUBSKHNG-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152049;MM152049;C=CC(C)(N)C1NC1C;OJQSSNAFNWQKAZ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152050;MM152050;C=NOC(=O)NC(=C)CC;VUTXMLUXLZSFBJ-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152051;MM152051;C=CC(C)(F)C1NC1C;UDJCOBIHZUYGSL-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152052;MM152052;CC1NC1C(C)(F)C=O;PEQWRKKKRZAYBH-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152053;MM152053;CC1NC1C(C)(F)C#N;WVYVIUGWGOKRDP-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152054;MM152054;C=CC(C)(C)C1OC1C;SIFRRXPMKMHQMF-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152055;MM152055;CC1OC1C(C)(C)C=O;AQVPMHPFPIHOSM-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152056;MM152056;CC1OC1C(C)(C)C#N;XVEBUKJJNLWZDW-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152057;MM152057;C=CC(C)(N)C1OC1C;MFPWCYFQNAZSMB-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152058;MM152058;C=CC(C)(O)C1OC1C;JPWBLROYLLLFAV-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152059;MM152059;CC1OC1C(C)(O)C=O;UNMUYZKWXGXWON-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152060;MM152060;CC1OC1C(C)(O)C#N;ZRKHISJILQONAI-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152061;MM152061;C=CC(C)(F)C1OC1C;RRWKVYFJWUAFQN-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152062;MM152062;CC1OC1C(C)(F)C#N;CMEAEMBAFXKRMD-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152063;MM152063;CN1CC1C(C)(C)C=O;GYPTZWSNCVRKKN-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152064;MM152064;CN1CC1C(C)(C)C#N;DTRVSQSCWNXGIP-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152065;MM152065;C=CC(C)(N)C1CN1C;BVBPFQLEVUAZNS-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152066;MM152066;NNC(=O)CC(O)C=CF;RWWNXVWTTBHXMM-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152067;MM152067;C=NOCCNNC(N)=O;WRQHLZMHRJUKJW-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152068;MM152068;C=CC(C)(F)C1CN1C;ARPAFFPUWFDKLO-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152069;MM152069;CN1CC1C(C)(F)C=O;KJFSCSDCMZLURJ-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152070;MM152070;CN1CC1C(C)(F)C#N;WDOMPKXFGZXHDP-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152071;MM152071;CC1CN1C(C)(C)C=O;ABCDNKBHJUNLIM-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152072;MM152072;CC1CN1C(C)(C)C#N;SPRQPKNOIYEXRL-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152073;MM152073;C#CC(C)(C)C1CC1C;VOQUTOKKUBNXRN-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152074;MM152074;C#CC(C)(N)C1CC1C;WGBKVRPCUDJVGV-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152075;MM152075;C#CC(C)(O)C1CC1C;PNQCUVLHXMLPBT-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152076;MM152076;C#CC(C)(F)C1CC1C;SHSHLGBXPCFUNW-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152077;MM152077;C#CC(C)(C)C1CC1N;FVTPUBKLWYZSOT-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152078;MM152078;C#CC(C)(N)C1CC1N;SMVSZSQXWNRKEA-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152079;MM152079;C#CC(C)(O)C1CC1N;AQTDZGZDZARSRK-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152080;MM152080;C#CC(C)(F)C1CC1N;ZRYVYQIITNSNCB-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152081;MM152081;CC(O)CNC(=NO)NO;QGJLLFQAZVCHRP-UHFFFAOYSA-N;149.15;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152082;MM152082;C#CC(C)(N)C1CC1O;RHZUVGDMTNWEOU-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152083;MM152083;C#CC(C)(O)C1CC1O;VPCHBLXCLUISCE-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152084;MM152084;C#CC(C)(F)C1CC1O;YMYUBDYHBWWFIM-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152085;MM152085;C#CC(C)(C)C1CC1F;LNVHWFZXKFZVGM-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152086;MM152086;C#CC(C)(N)C1CC1F;NWOPTBNHKMKVOG-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152087;MM152087;C#CC(C)(O)C1CC1F;MWFGSVMUURSYRE-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152088;MM152088;C#CC(C)(F)C1CC1F;UYVHXTRPFJEZAG-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152089;MM152089;C#CC(C)(N)C1NC1C;MCFDDOFAOMQNSQ-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152090;MM152090;C#CC(C)(F)C1NC1C;VUVWEZLCOCVPSX-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152091;MM152091;C#CC(C)(C)C1OC1C;XRJRRZPQLVPOBN-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152092;MM152092;C#CC(C)(O)C1OC1C;YGTULJBZXPTYRB-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152093;MM152093;C#CC(C)(F)C1OC1C;YKKAVDAZHIANPT-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152094;MM152094;C#CC(C)(N)C1CN1C;TWAQAZYYKRGSCQ-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152095;MM152095;C#CC1(NNC(C)=O)CC1;KDOJOFFOUVAUNJ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152096;MM152096;C#CC(C)(F)C1CN1C;COVRUMQZOLHNIO-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152097;MM152097;CCC(C)(C)CC1CC1;QYOXMXXUFVLQOD-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152098;MM152098;CC(C)(CN)CC1CC1;YPVHVTYBUQGZRZ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152099;MM152099;CC(C)(CF)CC1CC1;NPOXFGNLFARRRS-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152100;MM152100;CCC(C)(N)CC1CC1;KJXZHZIQGFKYTD-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152101;MM152101;CC(N)(CN)CC1CC1;CAIUWIKJTWWLBF-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152102;MM152102;CC(N)(CF)CC1CC1;LQXRYABFLCIMHR-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152103;MM152103;CNN(C)C(=O)C(O)CO;YHQTWYYXBCMWES-UHFFFAOYSA-N;148.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152104;MM152104;CC(O)(CN)CC1CC1;RBNSQWIJFLEUDL-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152105;MM152105;CC(O)(CO)CC1CC1;BPSVJHAIWLJVSB-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152106;MM152106;CCC(C)(F)CC1CC1;WVMFVADSPUDTOS-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152107;MM152107;CC(F)(CN)CC1CC1;ZTCDEEFYXVPSLC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152108;MM152108;CC(F)(CO)CC1CC1;PMMPVCRKQOQCDT-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152109;MM152109;CCC(F)(F)CC1CC1;MSOAWNGZYHVHJT-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152110;MM152110;CNC(C)(C)CC1CC1;DBCCTJWHMKYWJB-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152111;MM152111;COC(C)(C)CC1CC1;NLCMWMWFEZCLSP-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152112;MM152112;CCC(C)(C)NC1CC1;KOIZHCAHQHFYKD-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152113;MM152113;CC(C)(CN)NC1CC1;MXEANXMNTHZSMM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152114;MM152114;CC(C)(CO)NC1CC1;YVQKFTIAXXAJGE-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152115;MM152115;CC(C)(CF)NC1CC1;HAIVBLDHRMJNDM-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152116;MM152116;CCC(C)(C)OC1CC1;OZMWTGCGRCCGJI-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152117;MM152117;CC(C)(CN)OC1CC1;KFLRSMWPLHOTQB-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152118;MM152118;CC(C)(CO)OC1CC1;MQEDLQPNMDTMCA-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152119;MM152119;CC(C)(CF)OC1CC1;OFCDZVZSSFVDFN-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152120;MM152120;COC(C)(C)OC1CC1;KJMROXNBJCJOFY-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152121;MM152121;CC(C)(CN)CC1CN1;FZTTWSHYHJBUNK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152122;MM152122;CCC(C)(N)CC1CN1;PIJOUXUTIYORJD-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152123;MM152123;CC(N)(CN)CC1CN1;OXHUHNLDVWYSAP-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152124;MM152124;CC(N)(CO)CC1CN1;DFKOXDFUOMVRRX-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152125;MM152125;CC(O)(CN)CC1CN1;MPEGOZZNIZQGMK-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152126;MM152126;CC(F)(CN)CC1CN1;WCKMGVZJSQOSPT-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152127;MM152127;CNC(C)(C)CC1CN1;CXJVKUXDXUGLBC-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152128;MM152128;CCC(C)(C)CC1CO1;XEXVYMMXZCWFOG-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152129;MM152129;CC(C)(CN)CC1CO1;LNTIIGIWUSYNJG-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152130;MM152130;CC(C)(CO)CC1CO1;WHYAIYDWLMRQFB-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152131;MM152131;CC(C)(CF)CC1CO1;FLDWHASUODNZMZ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152132;MM152132;CCC(C)(N)CC1CO1;FMNFZQVRGINULY-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152133;MM152133;CC(N)(CN)CC1CO1;LXPPFGPJTRBNTP-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152134;MM152134;CC(N)(CO)CC1CO1;HBZBEBNGABHGOW-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152135;MM152135;CCC(C)(O)CC1CO1;PYGWEZQHFHIGFP-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152136;MM152136;CC(O)(CN)CC1CO1;MRKULLXBQKBWCQ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152137;MM152137;CC(O)(CF)CC1CO1;SBTBZEYCFSVFTD-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152138;MM152138;CCC(C)(F)CC1CO1;SXVHAJIUYHPKOZ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152139;MM152139;CC(F)(CN)CC1CO1;WOWPNLPWYWCRHX-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152140;MM152140;CCC(F)(F)CC1CO1;UUOIJBDWHXLLAZ-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152141;MM152141;CNC(C)(C)CC1CO1;SMGNQSKDCUUJQI-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152142;MM152142;COC(C)(C)CC1CO1;GZBLVNKHWYOLNJ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152143;MM152143;CC(C)(CN)CN1CC1;MFGBOVHHBPRSSV-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152144;MM152144;CCC(C)(N)CN1CC1;HVLWDCFBJNBTFH-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152145;MM152145;CC(N)(CN)CN1CC1;IHADTPOPCOYNSR-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152146;MM152146;CC(N)(CO)CN1CC1;WHDYSOMMOOCEBE-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152147;MM152147;CCNNC(=O)OCOC;DALCOEJAQSXJHY-UHFFFAOYSA-N;148.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152148;MM152148;CCC(C)(F)CN1CC1;KJNYYEAQJTUNCF-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152149;MM152149;CC(F)(CN)CN1CC1;FGQAYPUHCOVZEJ-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152150;MM152150;NNC(=O)NCCOC=O;AIEOFEVXEAJUFY-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152151;MM152151;CCC(F)(F)CN1CC1;QSNAVFFADQDBHJ-UHFFFAOYSA-N;135.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152152;MM152152;CCCON=CC(=O)NN;RYRQJECEMSRANT-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152153;MM152153;C=CC(C)(C)CC1CC1;UDSRGFCKQCWHHP-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152154;MM152154;CC(C)(C=O)CC1CC1;FLSQEJRHEADYHP-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152155;MM152155;CC(C)(C#N)CC1CC1;YQXZEJFYHGRBHP-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152156;MM152156;C=CC(C)(N)CC1CC1;UJFHPUMRAQRTGH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152157;MM152157;C=NOC(C#N)C(O)CF;LUWBPKSINSTFTO-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152158;MM152158;CC(O)(C=O)CC1CC1;RKQISZCDOYXRKW-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152159;MM152159;CC(O)(C#N)CC1CC1;JYFUBDLCSGPSQS-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152160;MM152160;C=CC(C)(F)CC1CC1;OJHPNIGBYOMBQP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152161;MM152161;CC(F)(C=O)CC1CC1;OUKRMPGIBJORLA-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152162;MM152162;CC(F)(C#N)CC1CC1;GDSZWOGEWUIHCY-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152163;MM152163;C=CC(F)(F)CC1CC1;LUYNKRDXHLQVHP-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152164;MM152164;O=CC(F)(F)CC1CC1;NQQBMZLGSADXHO-UHFFFAOYSA-N;134.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152165;MM152165;N#CC(F)(F)CC1CC1;HEOHWQONOGTYGN-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152166;MM152166;C=CC(C)(C)NC1CC1;OMTRSPFDCBVUNN-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152167;MM152167;CC(C)(C=O)NC1CC1;GXODDTXTAMPTBL-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152168;MM152168;CC(C)(C#N)NC1CC1;SBWSWYVBEZGYLW-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152169;MM152169;C=CC(C)(C)OC1CC1;NTOGMWSABNNQGX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152170;MM152170;CC(C)(C=O)OC1CC1;LXAWBTZTOGUSGG-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152171;MM152171;CC(C)(C#N)OC1CC1;MHRLTNMYWFZFKG-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152172;MM152172;C=CC(C)(N)CC1CN1;ZNUCQISUBXWPFC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152173;MM152173;N#CC(F)(F)CC1CN1;FKMRJTBRMPXRHX-UHFFFAOYSA-N;132.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152174;MM152174;C=CC(C)(C)CC1CO1;KAESCQLCNIGMQS-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152175;MM152175;CC(C)(C=O)CC1CO1;ZXFRKSVBIRHSGP-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152176;MM152176;CC(C)(C#N)CC1CO1;OJIIVCJYDVIJJI-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152177;MM152177;C=CC(C)(N)CC1CO1;IECLHDHBJYZASF-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152178;MM152178;C=CC(C)(O)CC1CO1;IBIMHGBFIBVPLH-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152179;MM152179;CC(O)(C=O)CC1CO1;DMRUKQQSYRGPNM-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152180;MM152180;CC(O)(C#N)CC1CO1;JXKBWEGZCIRYBK-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152181;MM152181;C=CC(C)(F)CC1CO1;MHRVNEWUJVQXJC-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152182;MM152182;CC(F)(C#N)CC1CO1;JBUBCMBAIWMOHO-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152183;MM152183;C=CC(F)(F)CC1CO1;POOLZMHJDNHHTJ-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152184;MM152184;O=CC(F)(F)CC1CO1;HONHLTWJNBIUMJ-UHFFFAOYSA-N;136.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152185;MM152185;N#CC(F)(F)CC1CO1;OEYPGUOIUUBEBC-UHFFFAOYSA-N;133.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152186;MM152186;CC(C)(C=O)CN1CC1;OFAJMHDJNPSNGN-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152187;MM152187;CC(C)(C#N)CN1CC1;NECGPXLJPDCXAP-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152188;MM152188;C=CC(C)(N)CN1CC1;DJDRXFNXLVGDPH-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152189;MM152189;NC=CC(=NN)C(=O)NN;YMPQRFUWVAWVQR-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152190;MM152190;N=CN(O)C(C=O)C(N)=O;CWUYFRWBNPXRBK-UHFFFAOYSA-N;145.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152191;MM152191;C=CC(C)(F)CN1CC1;SFKOFMKMGIPAHB-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152192;MM152192;CC(F)(C=O)CN1CC1;BMCUAGUWPBQHAY-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152193;MM152193;CC(F)(C#N)CN1CC1;HPMRGPSDEHODAO-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152194;MM152194;C=CC(F)(F)CN1CC1;NEGJVUFFVSOZHM-UHFFFAOYSA-N;133.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152195;MM152195;O=CC(F)(F)CN1CC1;SASAXTLXTBEXSP-UHFFFAOYSA-N;135.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152196;MM152196;N#CC(F)(F)CN1CC1;VUKKKIIGCPVNRS-UHFFFAOYSA-N;132.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152197;MM152197;C#CC(C)(C)CC1CC1;XLGNHARRTCRCRH-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152198;MM152198;C#CC(C)(N)CC1CC1;HITAVQPLICPVSJ-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152199;MM152199;C#CC(C)(O)CC1CC1;CSQKXZCKNVCOEX-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152200;MM152200;C#CC(C)(F)CC1CC1;BPACQFUNULSLIM-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152201;MM152201;C#CC(F)(F)CC1CC1;QPJXEJKBCSUEDW-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152202;MM152202;C#CC(C)(C)NC1CC1;PCCWAIYQMJSKDR-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152203;MM152203;C#CC(C)(C)OC1CC1;XSNWDVJPTIEYTB-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152204;MM152204;C#CC(C)(N)CC1CN1;POCWFKXPBYKYJA-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152205;MM152205;C#CC(C)(C)CC1CO1;QHCMNUDLCYLXEX-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152206;MM152206;C#CC(C)(N)CC1CO1;XDGVGTIWCFMFPB-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152207;MM152207;C#CC(C)(O)CC1CO1;UCYWNUCRANQOJH-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152208;MM152208;C#CC(C)(F)CC1CO1;RTZBZWNTKOXQQA-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152209;MM152209;C#CC(F)(F)CC1CO1;HNXNNMNLWUNXCL-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152210;MM152210;C#CC(C)(N)CN1CC1;YBEXBZCMAQHBQI-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152211;MM152211;C#CC(C(=O)NN)=C(C)N;QJURAMMUMHVKGW-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152212;MM152212;C#CC(C)(F)CN1CC1;NBEQBHPAOBYCKC-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152213;MM152213;C#CC(F)(F)CN1CC1;WFJRLXPXUASEJI-UHFFFAOYSA-N;131.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152214;MM152214;CC1C2(N)CCC1(O)C2;MVEZGHLWDXGDBC-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152215;MM152215;CC1C2(O)CCC1(O)C2;JQBHERFNDLWCLM-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152216;MM152216;CN1C2(C)CCC1(C)C2;XMKNRBSYGGDAFD-UHFFFAOYSA-N;125.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152217;MM152217;CC12CCC(C)(C1)C2=O;KHSCFWHAWZEUNR-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152218;MM152218;CC12CNC(C)(C1)C2=O;JBGJTTKHOHPMQG-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152219;MM152219;CC1C2(N)C=CC1(F)C2;IFICMQQSFRTFFB-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152220;MM152220;CC12C=CC(C)(C1)C2=O;MHMUPBXVEWFBMD-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152221;MM152221;CC12C=CC(O)(C1)C2=O;QNKMGYBWYXJBJT-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152222;MM152222;CC1(N)CCC2(C)CC12;UMLJITVQCWFVNY-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152223;MM152223;COCCNC(=NO)NO;ZDEAFUNELHDDON-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152224;MM152224;CC1(F)CCC2(C)CC12;KXXJKQPZQYJDAX-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152225;MM152225;CC12CCC(F)(F)C1C2;MQZHZTZMCKRNGS-UHFFFAOYSA-N;132.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152226;MM152226;CC1(F)CCC2(N)CC12;SIMANUANIACYPR-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152227;MM152227;CC1(O)CCC2(O)CC12;JVQBCQDKUVHGOU-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152228;MM152228;CC1(C)CCC2(F)CC12;JAPPCWPDKMEUMN-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152229;MM152229;CC12CNC(C)(C)C1C2;BQGYWRZYHZZRAD-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152230;MM152230;CC1(C)NCC2(O)CC21;VQTCNGJRAMSWQP-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152231;MM152231;CC12COC(C)(C)C1C2;ASVJKWGFHWHOBG-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152232;MM152232;CC1(C)OCC2(O)CC21;ISROKNSOINNXFW-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152233;MM152233;CC1(C)OCC2(F)CC21;YXZOSWIAHCJGQP-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152234;MM152234;CC1(C)CNC2(C)CC12;JQNGAASEVZJLIL-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152235;MM152235;CC1(N)CNC2(C)CC12;ZCCVSWRDZOZXLG-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152236;MM152236;CC1(O)CNC2(C)CC12;CIYKBFSUPXNCCE-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152237;MM152237;CC1(F)CNC2(C)CC12;HQEDUWKAPHAUSJ-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152238;MM152238;CC1(C)COC2(C)CC12;JIXLOPHCUPEJFB-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152239;MM152239;CC1(N)COC2(C)CC12;MVEOQQMQLCOZDR-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152240;MM152240;CC1(O)COC2(C)CC12;MSCXIRAKHMLWMI-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152241;MM152241;CC1(F)COC2(C)CC12;UICQJJKDJIJUGI-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152242;MM152242;CC12CC1C(F)(F)CO2;VQMBXMYPZMNPQN-UHFFFAOYSA-N;134.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152243;MM152243;OC12C=CC(O)(CC1)C2;BVJJONUUBBWWEO-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152244;MM152244;CCC12CCC(C)(C1)C2;ALMJFLMWPSDHJW-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152245;MM152245;CC12CCC(CN)(C1)C2;GLOIGIDVOZYKIU-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152246;MM152246;CNC(=NO)NOCCO;RPXADZCJRBGNBS-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152247;MM152247;CC12CCC(CF)(C1)C2;WTEQKFPSFJXQRI-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152248;MM152248;CCC12CCC(N)(C1)C2;NXFRJYDNCSHXMI-UHFFFAOYSA-N;125.22;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152249;MM152249;NCC12CCC(N)(C1)C2;KRWGOTTZJQJQES-UHFFFAOYSA-N;126.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152250;MM152250;NC12CCC(CF)(C1)C2;AUBHDYYEJFSEDK-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152251;MM152251;C=NNC1=CC(OC)=NC1;COGGYZALFCULCO-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152252;MM152252;NCC12CCC(O)(C1)C2;DRMQKAMOLJONKO-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152253;MM152253;OCC12CCC(O)(C1)C2;JRFSXYZOTRGEOJ-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152254;MM152254;OC12CCC(CF)(C1)C2;IUWXOJBUDBQDOY-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152255;MM152255;CCC12CCC(F)(C1)C2;ICRXMULVZUPOIY-UHFFFAOYSA-N;128.19;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152256;MM152256;NCC12CCC(F)(C1)C2;DKZXOEWDVQJQOB-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152257;MM152257;OCC12CCC(F)(C1)C2;RKDIJUDLUZYDOP-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152258;MM152258;FCC12CCC(F)(C1)C2;UOJRVMYVBVEADP-UHFFFAOYSA-N;132.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152259;MM152259;CNC12CCC(C)(C1)C2;WZINKDXCSCFORE-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152260;MM152260;CNC12CCC(N)(C1)C2;COZKIMJJLRUXLA-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152261;MM152261;CNC12CCC(O)(C1)C2;FKLYYMJJCVPRQF-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152262;MM152262;CNC12CCC(F)(C1)C2;VEPNKIJSEADDDT-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152263;MM152263;COC12CCC(C)(C1)C2;VPBRAMVZRCVVBY-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152264;MM152264;COC12CCC(N)(C1)C2;QMMFLHGTXSNRIY-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152265;MM152265;COC12CCC(O)(C1)C2;NEFDQWAIWKXSAU-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152266;MM152266;COC12CCC(F)(C1)C2;SRJVMPIZAXFWHY-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152267;MM152267;CCC12CNC(C)(C1)C2;MIDSWMXARDVTNQ-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152268;MM152268;CC12CC(CN)(CN1)C2;SXZZPDNPHJOMJI-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152269;MM152269;CC12CC(CO)(CN1)C2;UEKVNYXHBDHHBV-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152270;MM152270;CC12CC(CF)(CN1)C2;NUJLWXNYLHYWFT-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152271;MM152271;CNC12CNC(C)(C1)C2;IWAAWWKBUYFUOU-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152272;MM152272;COC12CNC(C)(C1)C2;CLNFWKNEBDKAMU-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152273;MM152273;CCC12COC(C)(C1)C2;RLIQMDKWVGADBD-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152274;MM152274;CC12CC(CN)(CO1)C2;RGYYYSXDSXEOKX-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152275;MM152275;CC12CC(CO)(CO1)C2;AXBPIDGDOIYMBX-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152276;MM152276;CC12CC(CF)(CO1)C2;LEKJFHAGWUHTNJ-UHFFFAOYSA-N;130.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152277;MM152277;CNC12COC(C)(C1)C2;UUWNHCHEEXARPG-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152278;MM152278;COC12COC(C)(C1)C2;ATBITTGROOVDSX-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152279;MM152279;CC12CNC(CN)(C1)C2;IUWNRSPZBREMNT-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152280;MM152280;NCC12CC(N)(CN1)C2;BEFCHIZLVFCBTA-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152281;MM152281;CCC12CC(O)(CN1)C2;IEEINBSYHRHSBV-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152282;MM152282;NCC12CC(O)(CN1)C2;RMEJPUPAPKAYFQ-UHFFFAOYSA-N;128.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152283;MM152283;OC12CNC(CF)(C1)C2;BRLSQNQUHSOMME-UHFFFAOYSA-N;131.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152284;MM152284;CCC12CC(F)(CN1)C2;QDMUVGCQAPLGSR-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152285;MM152285;NCC12CC(F)(CN1)C2;GKCGAWIJLQXGKE-UHFFFAOYSA-N;130.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152286;MM152286;CCC12CC(C)(CO1)C2;RWLNOMKISLSIGN-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152287;MM152287;CC12COC(CN)(C1)C2;CEAFNAZSKXWJNK-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152288;MM152288;CC12COC(CO)(C1)C2;WBLJEAWYWFCKHJ-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152289;MM152289;CC12COC(CF)(C1)C2;LJNMXDFHEOTRDN-UHFFFAOYSA-N;130.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152290;MM152290;CCC12CC(N)(CO1)C2;CKZVCRYGJRRJFU-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152291;MM152291;NCC12CC(N)(CO1)C2;BZZQETIZPLCMJB-UHFFFAOYSA-N;128.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152292;MM152292;NC12COC(CF)(C1)C2;FJBCJWBMHZGIMH-UHFFFAOYSA-N;131.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152293;MM152293;CCC12CC(O)(CO1)C2;FUQFAXFXUALRGQ-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152294;MM152294;NCC12CC(O)(CO1)C2;WOFKBRJGNBFGOZ-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152295;MM152295;OCC12CC(O)(CO1)C2;RQJYBKNZDDPSKH-UHFFFAOYSA-N;130.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152296;MM152296;OC12COC(CF)(C1)C2;NAKXGAFMESLOBB-UHFFFAOYSA-N;132.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152297;MM152297;CCC12CC(F)(CO1)C2;AXDRMEGSWSCPJC-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152298;MM152298;NCC12CC(F)(CO1)C2;KMVTYGKTQCYQCX-UHFFFAOYSA-N;131.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152299;MM152299;OCC12CC(F)(CO1)C2;JEYRAORIAKZMTR-UHFFFAOYSA-N;132.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152300;MM152300;FCC12CC(F)(CO1)C2;OBRLFIJVTTYJKX-UHFFFAOYSA-N;134.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152301;MM152301;COC12CC(C)(CO1)C2;KVOPOHIWYAGIPR-UHFFFAOYSA-N;128.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152302;MM152302;COC12CC(N)(CO1)C2;AXUZUSIFSWRUKB-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152303;MM152303;COC12CC(O)(CO1)C2;KSRMKWHMMBFMOS-UHFFFAOYSA-N;130.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152304;MM152304;COC12CC(F)(CO1)C2;PRMRPMKXVNLXMM-UHFFFAOYSA-N;132.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152305;MM152305;CCC12CCC(C)(C1)N2;AXUDBTKPTCAEFO-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152306;MM152306;CC12CCC(CN)(C1)N2;CLROZUJKJUCVFR-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152307;MM152307;CC12CCC(CO)(C1)N2;GSGIVLPQTGYCAL-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152308;MM152308;CC12CCC(CF)(C1)N2;ZSANUJUGKRWJNN-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152309;MM152309;CCC12CCC(C)(C1)O2;STVPVKZDDAGFBV-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152310;MM152310;CC12CCC(CN)(C1)O2;FLORKZZVBINIKI-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152311;MM152311;CC12CCC(CO)(C1)O2;JBAHFGCJDCOVFD-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152312;MM152312;CC12CCC(CF)(C1)O2;KTUYFHGPILRKIY-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152313;MM152313;C=CC12CCC(C)(C1)C2;OIHIWBPOPGRYIQ-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152314;MM152314;CC12CCC(C=O)(C1)C2;YGUKGVXBLFOAGP-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152315;MM152315;CC12CCC(C#N)(C1)C2;UMMUHHBICNDQBU-UHFFFAOYSA-N;121.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152316;MM152316;C=CC12CCC(N)(C1)C2;WVNOKHRQOUXZOU-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152317;MM152317;N#CCC(=O)N=CN1CC1;DHRAGKYOEBLVKJ-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152318;MM152318;O=CC12CCC(O)(C1)C2;GCIBNKSRBPKGJX-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152319;MM152319;N#CC12CCC(O)(C1)C2;PBWPSAXRHKLDTO-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152320;MM152320;C=CC12CCC(F)(C1)C2;QDZGQYFAAGZEFB-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152321;MM152321;O=CC12CCC(F)(C1)C2;UNYGLZYFWZXLCQ-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152322;MM152322;N#CC12CCC(F)(C1)C2;AVGZWLDIUJMNGY-UHFFFAOYSA-N;125.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152323;MM152323;C=CC12CNC(C)(C1)C2;LLDUHTRPGRAKON-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152324;MM152324;CC12CC(C=O)(CN1)C2;COCLXWXQYFXICT-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152325;MM152325;C=CC12COC(C)(C1)C2;INOGUJPCMMDSKD-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152326;MM152326;CC12CC(C=O)(CO1)C2;ABSRPJCTVFTGML-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152327;MM152327;CC12CC(C#N)(CO1)C2;ZYWGOFYUDIQHLR-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152328;MM152328;CC12CNC(C=O)(C1)C2;NAUWTFIBDCGREA-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152329;MM152329;C=CC12CC(C)(CO1)C2;HETUZZGHUNCFJZ-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152330;MM152330;CC12COC(C=O)(C1)C2;YGCRAEYPSSRJBC-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152331;MM152331;CC12COC(C#N)(C1)C2;FGAUVNXLTQEQIL-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152332;MM152332;C=CC12CC(N)(CO1)C2;NOESHXOHOKCJTB-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152333;MM152333;C=CC12CC(O)(CO1)C2;XKZBYRNJPQLUAU-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152334;MM152334;O=CC12CC(O)(CO1)C2;YNCWJMRBGMBVGO-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152335;MM152335;N#CC12CC(O)(CO1)C2;WQBQEWKRLLFFOF-UHFFFAOYSA-N;125.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152336;MM152336;C=CC12CC(F)(CO1)C2;QXLGFZNSKACLNA-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152337;MM152337;O=CC12CC(F)(CO1)C2;SVVLTKGPSURFJF-UHFFFAOYSA-N;130.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152338;MM152338;N#CC12CC(F)(CO1)C2;YWQGEFGOUFZXEZ-UHFFFAOYSA-N;127.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152339;MM152339;C=CC12CCC(C)(C1)N2;KALLMFLSFYEOGY-UHFFFAOYSA-N;123.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152340;MM152340;CC12CCC(C=O)(C1)N2;DYOPCKKJCHRJHX-UHFFFAOYSA-N;125.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152341;MM152341;CC12CCC(C#N)(C1)N2;YGSAGWNVDQWKJG-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152342;MM152342;C=CC12CCC(C)(C1)O2;AJISLRNJMYKKTA-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152343;MM152343;CC12CCC(C=O)(C1)O2;YKLHCGDQOKEXAE-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152344;MM152344;CC12CCC(C#N)(C1)O2;ZKYXANCMDCFJLZ-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152345;MM152345;C#CC12CCC(C)(C1)C2;RWHZFPUCPHHSOX-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152346;MM152346;C#CC12CCC(N)(C1)C2;YYZHMQIJWPLUEO-UHFFFAOYSA-N;121.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152347;MM152347;C#CC1NC1C(=O)CC#N;UMLYVJNEZITAIP-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152348;MM152348;C#CC12CCC(F)(C1)C2;UWBQBCIPHPILLU-UHFFFAOYSA-N;124.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152349;MM152349;C#CC12COC(C)(C1)C2;JOUAVVPNNIDNON-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152350;MM152350;C#CC12CC(N)(CN1)C2;CVPGWRGZOOGDLJ-UHFFFAOYSA-N;122.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152351;MM152351;C#CC12CC(C)(CO1)C2;TWVJACWBAWBJEZ-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152352;MM152352;C#CC12CC(N)(CO1)C2;LQACROOVWRGTFW-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152353;MM152353;C#CC12CC(O)(CO1)C2;YRKUWLKDBVZBIS-UHFFFAOYSA-N;124.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152354;MM152354;C#CC12CCC(C)(C1)N2;IKVNQGSOQUHPDL-UHFFFAOYSA-N;121.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152355;MM152355;C#CC12CCC(C)(C1)O2;BWRMVXMNKRQBAN-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152356;MM152356;CCC12C=CC(C)(C1)C2;SDJJJSRUJVIWFY-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152357;MM152357;CC12C=CC(CN)(C1)C2;NTBVRPVXNXAMJD-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152358;MM152358;C=CC(C#N)C#CC1CN1;UNOSSSSXANJRFQ-UHFFFAOYSA-N;132.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152359;MM152359;CC12C=CC(CF)(C1)C2;YDGUGQIHPPDPCD-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152360;MM152360;CCC12C=CC(N)(C1)C2;QLGSHXUNYSMKNN-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152361;MM152361;NCC12C=CC(N)(C1)C2;OTDNVMPOFVKKFO-UHFFFAOYSA-N;124.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152362;MM152362;NC12C=CC(CO)(C1)C2;BMUJXQYHBTZXJW-UHFFFAOYSA-N;125.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152363;MM152363;NC12C=CC(CF)(C1)C2;CXBJAZZCMXVRJM-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152364;MM152364;NNC(=O)CC(N)=O;FGVRDPGRFNBYRP-UHFFFAOYSA-N;117.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152365;MM152365;NCC12C=CC(O)(C1)C2;JHIWOBBXFDULOV-UHFFFAOYSA-N;125.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152366;MM152366;OCC12C=CC(O)(C1)C2;XKVRLCLJDCQNAO-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152367;MM152367;OC12C=CC(CF)(C1)C2;CHGXZDRKSMECAL-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152368;MM152368;CCC12C=CC(F)(C1)C2;VERBIEWXAJZOEU-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152369;MM152369;NCC12C=CC(F)(C1)C2;UDWHPYLIBBXQDV-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152370;MM152370;OCC12C=CC(F)(C1)C2;WAYUCBRHEXFCOP-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152371;MM152371;FCC12C=CC(F)(C1)C2;GJTYGBIRGPPTMU-UHFFFAOYSA-N;130.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152372;MM152372;CNC12C=CC(C)(C1)C2;PIIQRBORYFGPCE-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152373;MM152373;CNC12C=CC(N)(C1)C2;CJYXCXPCFAHBSY-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152374;MM152374;CNC12C=CC(O)(C1)C2;DFYIIJVPTFPPIG-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152375;MM152375;CNC12C=CC(F)(C1)C2;IULLJCDUUFIAPF-UHFFFAOYSA-N;127.16;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152376;MM152376;COC12C=CC(C)(C1)C2;QUUQVVREKYVKRV-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152377;MM152377;COC12C=CC(N)(C1)C2;NDGUCEIUTYONOJ-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152378;MM152378;COC12C=CC(O)(C1)C2;ZGBUPGQQPYGUPP-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152379;MM152379;COC12C=CC(F)(C1)C2;JGGZWESJTIIIMD-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152380;MM152380;CCC12C=CC(C)(C1)N2;VVPKJIXFUZBFJP-UHFFFAOYSA-N;123.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152381;MM152381;CC12C=CC(CN)(C1)N2;BWWLSSPIVMOHCD-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152382;MM152382;CCC12C=CC(C)(C1)O2;RLQGQFVHMBLBEZ-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152383;MM152383;CC12C=CC(CN)(C1)O2;OPGAVVWAXPITSV-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152384;MM152384;CC12C=CC(CO)(C1)O2;GWZNGCSJVMEIOS-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152385;MM152385;CC12C=CC(CF)(C1)O2;IRWFUZULEYYURV-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152386;MM152386;C=CC12C=CC(C)(C1)C2;ZRBWKGCPIYZHTL-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152387;MM152387;CC12C=CC(C=O)(C1)C2;CMACMPXNKVMTTD-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152388;MM152388;CC12C=CC(C#N)(C1)C2;XTGPSDFCIKNGCH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152389;MM152389;C=CC12C=CC(N)(C1)C2;XFDGDANQUUJVJM-UHFFFAOYSA-N;121.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152390;MM152390;CCNNC(=O)NN;JYZVAJRSNNFELK-UHFFFAOYSA-N;118.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152391;MM152391;O=CC12C=CC(O)(C1)C2;QFJJZHRWUAUJEO-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152392;MM152392;N#CC12C=CC(O)(C1)C2;DKESCWUNYRDUPO-UHFFFAOYSA-N;121.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152393;MM152393;C=CC12C=CC(F)(C1)C2;IHRUQOYNDUWFLA-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152394;MM152394;O=CC12C=CC(F)(C1)C2;AEZINSGVSCZGCV-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152395;MM152395;N#CC12C=CC(F)(C1)C2;HDJIOILCQWRCMG-UHFFFAOYSA-N;123.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152396;MM152396;CC12C=CC(C#N)(C1)N2;HSUQWOZVFDMDPP-UHFFFAOYSA-N;120.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152397;MM152397;C=CC12C=CC(C)(C1)O2;IFSZRXTVBWMIRL-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152398;MM152398;CC12C=CC(C=O)(C1)O2;BCZCACZQKZEETE-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152399;MM152399;CC12C=CC(C#N)(C1)O2;GWGBXOAUDKFSBV-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152400;MM152400;C#CC12C=CC(C)(C1)C2;SIYRZYFDJOPMRF-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152401;MM152401;C#CC12C=CC(N)(C1)C2;SMFSDZIQWKIOGH-UHFFFAOYSA-N;119.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152402;MM152402;CC(=NO)NC1CC1;WDTPLQBEBQBPNJ-UHFFFAOYSA-N;114.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152403;MM152403;C#CC12C=CC(F)(C1)C2;XCBJAMLNUFGSKX-UHFFFAOYSA-N;122.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152404;MM152404;C#CC12C=CC(C)(C1)O2;HRGLZEHCRFUAPC-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152405;MM152405;CC1(C)CC1C1(C)CC1;DQTHYOMPMZRBPV-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152406;MM152406;CC1(N)CC1C1(C)CC1;CVZHQETWSWODLS-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152407;MM152407;CCNNC(=O)NNC;YGCHMIHTDWEFHV-UHFFFAOYSA-N;132.17;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152408;MM152408;CC1(F)CC1C1(C)CC1;BBCAOTJCYIRSHG-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152409;MM152409;CC1(C2CC2(F)F)CC1;FBXIHJQYVXEATN-UHFFFAOYSA-N;132.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152410;MM152410;CC1(C)CC1C1(N)CC1;RQVZMNPOEHWSQZ-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152411;MM152411;CC1(N)CC1C1(N)CC1;PWZDAVQLDDPVSH-UHFFFAOYSA-N;126.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152412;MM152412;CC1(O)CC1C1(N)CC1;XIXYLWLZULKQJH-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152413;MM152413;CC1(F)CC1C1(N)CC1;RQCSWWYADXAUIX-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152414;MM152414;NC1(C2CC2(F)F)CC1;NANITHQTPUBSCC-UHFFFAOYSA-N;133.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152415;MM152415;NNC(=O)NC=CCF;OTYCIEVEFIYZNS-UHFFFAOYSA-N;133.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152416;MM152416;CC1(N)CC1C1(O)CC1;UVRAIZYWKIRTFY-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152417;MM152417;CC1(O)CC1C1(O)CC1;FUGYFADIFOEKLR-UHFFFAOYSA-N;128.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152418;MM152418;CC1(F)CC1C1(O)CC1;OMVIGEDLADOWBV-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152419;MM152419;OC1(C2CC2(F)F)CC1;PIXSWPLDGOBTCY-UHFFFAOYSA-N;134.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152420;MM152420;CC1(C)CC1C1(F)CC1;JOAHXDVLOMUWJP-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152421;MM152421;CC1(N)CC1C1(F)CC1;HIWZHCSUAPWAPV-UHFFFAOYSA-N;129.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152422;MM152422;CC1(O)CC1C1(F)CC1;OHPIEGGNJWPGAB-UHFFFAOYSA-N;130.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152423;MM152423;CC1(F)CC1C1(F)CC1;OIHAWGQCLWCVNZ-UHFFFAOYSA-N;132.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152424;MM152424;FC1(F)CC1C1(F)CC1;QHCRQYFVQOPLEB-UHFFFAOYSA-N;136.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152425;MM152425;CC1(N)CC1C1(C)CN1;DIFBKEMJSMVMDT-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152426;MM152426;CC1(C)CC1C1(C)CO1;MRQDYFCRMYKKAR-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152427;MM152427;CC1(N)CC1C1(C)CO1;NUNDEQKBUZFVCT-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152428;MM152428;CC1(O)CC1C1(C)CO1;MNOUOLGVWCEEIA-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152429;MM152429;CC1(F)CC1C1(C)CO1;RPGVEFFJCPNDMW-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152430;MM152430;CC1(C2CC2(F)F)CO1;PBUPVGFJALKJRN-UHFFFAOYSA-N;134.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152431;MM152431;CC1(C)NC1C1(N)CC1;HJQPXYXXZNZMEU-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152432;MM152432;CC1(C)NC1C1(F)CC1;SNOGIGZXVGRWOF-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152433;MM152433;CC1(C2OC2(C)C)CC1;XCOULNUBGFFEKJ-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152434;MM152434;CC1(C)OC1C1(N)CC1;OOCYGZSRTXJRQX-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152435;MM152435;CC1(C)OC1C1(O)CC1;PLGDQNKJMNSHHQ-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152436;MM152436;CC1(C)OC1C1(F)CC1;AMLRLMYJHOOKKQ-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152437;MM152437;CC1(C)OC1C1(C)CO1;BZGFTZZAJOJRSF-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152438;MM152438;CC1(CC2(C)CC2)CC1;QPDOOUMSJRTSJA-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152439;MM152439;CC1(CC2(N)CC2)CC1;CDRGHXGOTPLLQN-UHFFFAOYSA-N;125.22;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152440;MM152440;C#CC=CNC(=O)NN;ZPUUUOWGSPUVJH-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152441;MM152441;CC1(CC2(F)CC2)CC1;QGZMMWVEVCUSJS-UHFFFAOYSA-N;128.19;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152442;MM152442;NC1(CC2(N)CC2)CC1;SWAMJIDUFQMOIT-UHFFFAOYSA-N;126.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152443;MM152443;NC1(CC2(O)CC2)CC1;NOJVYGMYZPJCCP-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152444;MM152444;NC1(CC2(F)CC2)CC1;CUKRETSKRVMFKN-UHFFFAOYSA-N;129.18;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152445;MM152445;OC1(CC2(O)CC2)CC1;UYCSLGSKWJDWAC-UHFFFAOYSA-N;128.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152446;MM152446;OC1(CC2(F)CC2)CC1;VWJHZNXZPPKZNL-UHFFFAOYSA-N;130.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152447;MM152447;FC1(CC2(F)CC2)CC1;CCNZLWUGUGXBEP-UHFFFAOYSA-N;132.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152448;MM152448;CC1(NC2(C)CC2)CC1;GKJPETALUMCUML-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152449;MM152449;CC1(OC2(C)CC2)CC1;LTRGIKMKHLHFAY-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152450;MM152450;CC1(CC2(N)CC2)CN1;BWKSPGYUVJOMNR-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152451;MM152451;CC1(CC2(C)CO2)CC1;HEZMSBWKYNTQBE-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152452;MM152452;CC1(CC2(N)CC2)CO1;COVSEBQTRHCSRZ-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152453;MM152453;CC1(CC2(O)CC2)CO1;NRIULBAFZSPTLP-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152454;MM152454;CC1(CC2(F)CC2)CO1;QWRBOBUELHYDLF-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152455;MM152455;CC1(CC2(C)CO2)CO1;FLFFVKHRZGWMOV-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152456;MM152456;CCCCCCC(C)C;ZUBZATZOEPUUQF-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152457;MM152457;CC(NC=O)C(=O)NN;MLLSMVRWAJMIHJ-UHFFFAOYSA-N;131.14;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152458;MM152458;CCCCCCC(C)N;HBXNJMZWGSCKPW-UHFFFAOYSA-N;129.25;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152459;MM152459;CC(N)CCCCCN;AWZYJAFKVGBFEU-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152460;MM152460;CC(N)CCCCCO;YMEBREFRBIOYCD-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152461;MM152461;CC(N)CCCCCF;DMPJQWSEBYFOJT-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152462;MM152462;CCCC(=NO)N(C)C;NSPRJWBKCJWJSS-UHFFFAOYSA-N;130.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152463;MM152463;CC(=O)C(=N)NNC(N)=O;IOIHWBNIRIIYRV-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152464;MM152464;CCCCCCC(C)F;TVJHFQWCMCKELZ-UHFFFAOYSA-N;132.22;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152465;MM152465;CC(F)CCCCCN;ABHRXLAKSWRBBA-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152466;MM152466;NCCCCCC(F)F;NFBRYMVSIYWQSM-UHFFFAOYSA-N;137.17;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152467;MM152467;FCCCCCC(F)F;YYGWSLIHLVALSK-UHFFFAOYSA-N;140.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152468;MM152468;CNCCCCC(C)O;WEUKLGGCEZLPOA-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152469;MM152469;CNCCCCC(C)F;BRHLHDWNTZJOML-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152470;MM152470;CNCCCCC(F)F;NUMBHBCMKSVLJP-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152471;MM152471;CCNCCCC(C)C;TYORWZRQWRXDOE-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152472;MM152472;CCNCCCC(C)N;NCERRQGWVDKEDE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152473;MM152473;CCNCCCC(C)O;QGVMKVRJAJTRJG-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152474;MM152474;CCNCCCC(F)F;QMYYIRWVVPIMES-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152475;MM152475;CCOCCCC(C)C;JKTNTSHXBUHNGG-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152476;MM152476;CCCNCCC(C)C;NCBKRBDUPKCJEH-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152477;MM152477;CC(C)CCNCCN;DJOJMRGVQZGIJZ-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152478;MM152478;CC(C)CCNCCF;KVPOAJZBHMSLEY-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152479;MM152479;CCCNCCC(C)N;SHUOVQYANHYCQC-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152480;MM152480;CC(N)CCNCCN;WXLIXRPHQCRSQQ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152481;MM152481;CCCNCCC(C)O;KYNMHFYAWPQCPW-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152482;MM152482;CCCNCCC(C)F;ITXIYOAYDCVBFS-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152483;MM152483;CC(F)CCNCCN;CAPLTZGUWHSEDN-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152484;MM152484;CC(F)CCNCCF;XSZGEMKRKLQUFP-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152485;MM152485;CCCNCCC(F)F;VKNPXVSLQQQWNK-UHFFFAOYSA-N;137.17;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152486;MM152486;CCCOCCC(C)C;JDAKSGAOZBUSQJ-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152487;MM152487;CC(C)CCOCCN;VPCOEWNBDAOSCY-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152488;MM152488;CC(C)CCOCCO;NCHBYORVPVDWBJ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152489;MM152489;CCCOCCC(C)N;UUGUDJKLJAZKPN-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152490;MM152490;CC(N)CCOCCN;VGHOEYLSVYHTPH-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152491;MM152491;CC(N)CCOCCF;AVGFNTHKADCYBN-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152492;MM152492;CCCOCCC(C)O;WJHZVOKIKIFDLW-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152493;MM152493;COCOCCC(C)N;JNIKIKXMSJXGHE-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152494;MM152494;COCOCCC(C)O;DCWKARFXGXJHOK-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152495;MM152495;COCOCCC(F)F;NMEBCFKAUIOAIE-UHFFFAOYSA-N;140.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152496;MM152496;CCCCNCC(C)C;CCRUHKGZAQXBKC-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152497;MM152497;CC(C)CNCCCN;MBUAMOKJRSMXKM-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152498;MM152498;CC(C)CNCCCO;DQTOAJHGPKIACO-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152499;MM152499;CC(C)CNCCCF;NFKTUNMDTVSGNT-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152500;MM152500;CCCCNCC(C)N;SELWUYCGUZPOPY-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152501;MM152501;CCCCNCC(C)O;QOBAXXQQFJJPAA-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152502;MM152502;CC(O)CNCCCO;CCHXKPVXRHCHBK-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152503;MM152503;CCCCNCC(C)F;RWIUSNMVAYKTPO-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152504;MM152504;CC(F)CNCCCN;ZHZSKSAUICGIDI-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152505;MM152505;CC(F)CNCCCF;QYRYETRYMVNDPG-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152506;MM152506;NCCCNCC(F)F;JFBMEZSUEISXPM-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152507;MM152507;CNCCNCC(C)F;OXNWZJKZGUKYMN-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152508;MM152508;CNCCNCC(F)F;HXMKVOWNOOEUDM-UHFFFAOYSA-N;138.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152509;MM152509;COCCNCC(C)N;CCEDLRJFEDTGJC-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152510;MM152510;CC(N)COCCCO;XXPFGDCEWSXJLA-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152511;MM152511;CC(O)COCCCO;QCEPAYDHIMIVTH-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152512;MM152512;CC(F)COCCCF;YNICUEBLNFFYQP-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152513;MM152513;OCCCOCC(F)F;VYUMDXAMZOTVIO-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152514;MM152514;FCCCOCC(F)F;BBNGUDCVMAXOBV-UHFFFAOYSA-N;142.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152515;MM152515;CNCCOCC(C)N;GJZRCOSOYGYDOU-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152516;MM152516;COCCOCC(C)N;CMXIILNXYHCYPP-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152517;MM152517;COCCOCC(C)O;YVZQGLYEUSZXFK-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152518;MM152518;CCOCOCC(C)F;MUOHYINJEDPSGK-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152519;MM152519;CCOCOCC(F)F;QHFBMENDJPBMDK-UHFFFAOYSA-N;140.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152520;MM152520;CCCCCNC(C)C;QCWXZFZXEGTLOV-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152521;MM152521;CC(C)NCCCCN;FBJWOCSWSGEYRJ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152522;MM152522;CC(C)NCCCCO;IPLWOCGPIGUXOR-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152523;MM152523;COCCCNC(C)C;GCOTXHPHAUCKNR-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152524;MM152524;CCOCCNC(C)C;QUNUHZDEGUQIPH-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152525;MM152525;CCCCCOC(C)C;FDUGUUVTGOZJQR-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152526;MM152526;CC(C)OCCCCF;ZAYTZMGVHVIIJM-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152527;MM152527;CCCCCCN(C)C;QMHNQZGXPNCMCO-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152528;MM152528;CN(C)CCCCCN;ZQEQANWXEQSAGL-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152529;MM152529;CN(C)CCCCCO;HFLIHGJYVCGOEH-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152530;MM152530;CN(C)CCCCCF;NFPKXHPBNPQQBU-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152531;MM152531;CCOCCCN(C)C;XLAXYNXVOVMHMJ-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152532;MM152532;CCCNCCN(C)C;OMCJDNIHQAGLEM-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152533;MM152533;CN(C)CCNCCN;HLTMVWQXGLNLCU-UHFFFAOYSA-N;131.22;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152534;MM152534;CN(C)CCNCCO;OOOOBVFKGSBICZ-UHFFFAOYSA-N;132.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152535;MM152535;CCCOCCN(C)C;DARJCOYDJSZUAC-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152536;MM152536;CN(C)CCOCCN;MIOZXHSALLZYTG-UHFFFAOYSA-N;132.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152537;MM152537;C=CCCCCC(C)C;YKHFZRXJMPLNTJ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152538;MM152538;CC(C)CCCCC=O;LCEHKIHBHIJPCD-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152539;MM152539;C=CCCCCC(C)N;IHKFFWZGHRAKFG-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152540;MM152540;N#CCC(=O)CNCC=O;ZTMSZBDYDBGLOC-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152541;MM152541;CC(=O)C(O)C=NN=CN;KQTMGKMIRVFTLG-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152542;MM152542;NNC(=O)NCC(O)CF;YUVIBPUHNRYJSB-UHFFFAOYSA-N;151.14;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152543;MM152543;CC(F)CCCCC=O;OHLZVYVPILMILY-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152544;MM152544;CC(F)CCCCC#N;ZRHNVSZXKVGKSJ-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152545;MM152545;C=CCCCCC(F)F;AMSWDNAXAXIPAH-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152546;MM152546;O=CCCCCC(F)F;SLEVVTQQZLHFKX-UHFFFAOYSA-N;136.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152547;MM152547;N#CCCCCC(F)F;HQCGNOUOPMJURI-UHFFFAOYSA-N;133.14;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152548;MM152548;CC(N)CCCNC=N;VCSQKGDDTRAHDE-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152549;MM152549;CC(F)CCCNC=N;ABHXPJWDRGDGQO-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152550;MM152550;N=CNCCCC(F)F;OZYYJMKFLMSULN-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152551;MM152551;C=NNCCCC(C)C;LJSJCJKVHCJFFJ-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152552;MM152552;C=NNCCCC(F)F;IKOBXEFVYYRSDM-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152553;MM152553;C=COCCCC(C)C;XMJQCVMNFPEJLN-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152554;MM152554;C=COCCCC(C)F;WHENVOJDUPGADE-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152555;MM152555;C=NOCCCC(F)F;OMAABOVPKBPAKF-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152556;MM152556;C=CCNCCC(C)C;ATPUSBMSUZPBCH-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152557;MM152557;C=CCNCCC(C)F;ZLJUQCZGXZNTJV-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152558;MM152558;C=CCNCCC(F)F;BANRIGGSQLVMQQ-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152559;MM152559;CC(C)CCNNC=N;KKSBKXGVVOIGGX-UHFFFAOYSA-N;129.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152560;MM152560;CC(F)CCNNC=N;YDJNVWDFMGTJHC-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152561;MM152561;NNC(=O)NCC(F)CO;VLYLTKIQUOVDBY-UHFFFAOYSA-N;151.14;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152562;MM152562;CN(C=N)C(=O)C(O)CO;WKQDRGHCSBZQRK-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152563;MM152563;C=CCOCCC(C)C;IIJSMTXNSCTJKI-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152564;MM152564;CC(C)CCOCC=O;PGKRWAZUYJASIU-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152565;MM152565;CC(C)CCOCC#N;QAQZOSVOKYXBSY-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152566;MM152566;C=CCOCCC(C)N;JXKWDPZFLZILGI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152567;MM152567;C=CCOCCC(C)O;QRFJYCVBBMZVOX-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152568;MM152568;CC(F)CCOCC#N;VAKIMTVRYIDVAW-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152569;MM152569;C=CCOCCC(F)F;AINXTSUEZJMULH-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152570;MM152570;N#CCOCCC(F)F;MVVKDAQIEQFFBO-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152571;MM152571;C=CCCNCC(C)C;ZJXHUONWWHRYRL-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152572;MM152572;CC(C)CNCCC=O;GJVGEZUBTXZOLP-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152573;MM152573;C=CCCNCC(C)F;VVVQEHFFWQKIPE-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152574;MM152574;CC(C)COCCC=O;HUVYINLLFRKWON-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152575;MM152575;CC(F)COCCC=O;QSGSYNQZBYAULV-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152576;MM152576;CC(F)COCCC#N;TUJNIJWMSPCADS-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152577;MM152577;O=CCCOCC(F)F;AHTNTCOLJAREJG-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152578;MM152578;N#CCCOCC(F)F;ILHGGPWCYULXAZ-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152579;MM152579;CC(C)COCOC=O;JSQDEGDWIWFMAR-UHFFFAOYSA-N;132.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152580;MM152580;C=COCOCC(C)N;STLSWZIDWQQWMT-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152581;MM152581;C=COCOCC(C)O;CGTAQZYVQKVPSX-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152582;MM152582;CC(O)COCOC=O;DWFJNABXEPVONL-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152583;MM152583;C=COCOCC(C)F;MLZMBIZJYQZWMK-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152584;MM152584;C=COCOCC(F)F;YKPRFYMULARFAW-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152585;MM152585;C=NOCOCC(C)C;LBGILZHRDHZWKC-UHFFFAOYSA-N;131.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152586;MM152586;C=NOCOCC(C)N;FIFSMJKKIBETGT-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152587;MM152587;C=NOCOCC(F)F;IMOWETUYMFAEPI-UHFFFAOYSA-N;139.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152588;MM152588;C=CCCCNC(C)C;SFDAUOMJROYQJW-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152589;MM152589;CC(C)NCCCC=O;MWXBJUKLKGGWEK-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152590;MM152590;CC(C)NCCNC=N;LCUXPNPWBFJBGS-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152591;MM152591;CC(C)NCCNC=O;HFUQDQQPVDCLKU-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152592;MM152592;CC(C)NCCOC=O;OBFQXUZRTFIZCC-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152593;MM152593;C=NOCCNC(C)C;KSXLSENWJKRTFC-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152594;MM152594;C=CCCCOC(C)C;UEYGTGLJMUWFRC-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152595;MM152595;CC(C)OCCOC=O;JPEMWLDDEMJIOX-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152596;MM152596;CC(C)OCOCC=O;SDSCTSLQXCQZDK-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152597;MM152597;CC(C)OCONC=O;ROCKRDMVXSROPK-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152598;MM152598;CN(C)CCCNC=O;WFBDWTZOYPUBQZ-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152599;MM152599;CN(C)CCNNC=N;KFXMAEYMNOBDMF-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152600;MM152600;C=CCOCCN(C)C;OLYONRCXBJKEEM-UHFFFAOYSA-N;129.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152601;MM152601;CN(C)CCONC=N;BPJSHFRNKMAYLD-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152602;MM152602;C#CCCCCC(C)C;RTXYCQAQYUOCHG-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152603;MM152603;C=C(C#N)CCNNC=O;RDKJNTGBSPUIIR-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152604;MM152604;C#CCCCCC(C)F;ZYFLDYCHYQGFCF-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152605;MM152605;C#CCNCCC(C)C;KEPNTCAXEDSCDP-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152606;MM152606;C#CCNCCC(C)N;PHERAXYVCQKOED-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152607;MM152607;C#CCNCCC(C)F;JBCRKSNONNQCGI-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152608;MM152608;C#CCNCCC(F)F;JMYAMBPHODUOQV-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152609;MM152609;C#CCOCCC(C)C;JTZHNUOBOFKYHO-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152610;MM152610;C#CCOCCC(C)O;PQZIKPIDUPSHLW-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152611;MM152611;C#CCOCCC(C)F;YULGIYVVVGGASY-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152612;MM152612;C#CCOCCC(F)F;QZOUVLBSFLTJDP-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152613;MM152613;C#CCCNCC(C)N;NSCGPNQXJDLKKB-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152614;MM152614;C#CCCNCC(C)F;FGQARGUIIODZHU-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152615;MM152615;C#CCCOCC(C)C;MRFFNUWMOCRTQM-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152616;MM152616;C#CCCOCC(C)N;IWMVBVCMOVAICS-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152617;MM152617;C#CCCOCC(C)O;WULPEYQGFAAQRO-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152618;MM152618;C#CCCOCC(C)F;FSBZEEIQLBMZMO-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152619;MM152619;C#CCOCOC(C)C;YDSLSIFBCKOSQV-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152620;MM152620;C#CCOCCN(C)C;WQLZAQLAWPJXBT-UHFFFAOYSA-N;127.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152621;MM152621;C=C(C)CCCCCC;FBEDQPGLIKZGIN-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152622;MM152622;COC(CCO)C(=O)NN;ROCLEOBZRRBCMK-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152623;MM152623;CCCCCCC(C)=O;ZPVFWPFBNIEHGJ-UHFFFAOYSA-N;128.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152624;MM152624;N=C(N)CCCCCN;LMPNYGBRHDTKIS-UHFFFAOYSA-N;129.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152625;MM152625;N=C(N)CCCCCF;PAJBGGNFQOGEEQ-UHFFFAOYSA-N;132.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152626;MM152626;O=C(O)CCCCCF;QDVPGZOKFHEOIW-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152627;MM152627;C=C(F)CCCCCN;CZPHKKJFDUFKSH-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152628;MM152628;C=C(C)CCCCNC;JNCNNRCTALHFHG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152629;MM152629;CNCCCCC(N)=O;MSKSNPYHYQTQFG-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152630;MM152630;COCCCCC(C)=O;BBFYIMIWUNYAAX-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152631;MM152631;C=C(C)CCCNCC;XVIVVKIHTJTWAE-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152632;MM152632;CCNCCCC(N)=O;HWNFFUJCXVFHGV-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152633;MM152633;C=C(F)CCCNCC;JVRSSYFJOSBAQV-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152634;MM152634;CCOCCCC(C)=O;FWTDEADUYHVAFA-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152635;MM152635;C=C(F)CCCOCC;QZFYGAFDIGPHIO-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152636;MM152636;C=C(C)CCNCCC;PWMOGRBQAYOFGO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152637;MM152637;C=C(C)CCNCCF;RSDOJMWKDBKMRY-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152638;MM152638;CC(=O)CCNCCO;FGCMRGLYSKZGIB-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152639;MM152639;CCCNCCC(=N)N;ZTMINLWFLCOKNY-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152640;MM152640;N=C(N)CCNCCN;HFQUOISUGUPMCO-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152641;MM152641;N=C(N)CCNCCO;WRCKOBFXBKTYAS-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152642;MM152642;CCCNCCC(N)=O;SIGUKDAUOIBDTF-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152643;MM152643;C=C(F)CCNCCC;UHSPLLXMAQCHIF-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152644;MM152644;C=C(F)CCNCCN;IOYDAAPVFPAATP-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152645;MM152645;C=C(F)CCNCCF;HJRKXNJFZGGZGV-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152646;MM152646;C=C(C)CCOCCC;OUEGNGIBFSVMJV-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152647;MM152647;CCCOCCC(C)=O;CTGMQDUXYKIIBU-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152648;MM152648;CC(=O)CCOCCF;DMUJYPILJBBNIS-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152649;MM152649;N=C(N)CCOCCN;LNCSCCGOFQHANU-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152650;MM152650;N=C(N)CCOCCO;SMIZCPJEZBRCFB-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152651;MM152651;NCCOCCC(N)=O;SDLNETUTBZUHOO-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152652;MM152652;NC(=O)CCOCCO;FDZLPIQCVBILRZ-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152653;MM152653;Cn1c(F)c(O)oc1=NN;MHKSZEJDZJXOJP-UHFFFAOYSA-N;147.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152654;MM152654;C=C(F)CCOCCC;KZBVUMKQIQUNQT-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152655;MM152655;C=C(F)CCOCCO;BKBWPHLJNOAOPB-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152656;MM152656;C=C(C)CCOCOC;JVUGZKJUZFLVAC-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152657;MM152657;COCOCCC(=N)N;LABORAUWCIKAAF-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152658;MM152658;COCOCCC(N)=O;QZQQOIIMVGMJRM-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152659;MM152659;O=c1ccc2n[nH][nH]c-2c1;JINNAZXSDAVIKI-UHFFFAOYSA-N;135.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152660;MM152660;C=C(F)CCOCOC;ZDYCQSIIVDZFKR-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152661;MM152661;C=C(C)CNCCCC;JHYHIRODANDVJH-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152662;MM152662;CCCCNCC(C)=O;FGOYYCGJUIWLFF-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152663;MM152663;CCCCNCC(=N)N;DZDNIWKTKIGYST-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152664;MM152664;N=C(N)CNCCCN;OOYSFKOJMCQWDA-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152665;MM152665;CCCCNCC(N)=O;XYIJSPFBTWXBGM-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152666;MM152666;NC(=O)CNCCCO;MEUKKMVBYCJJEV-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152667;MM152667;C=C(F)CNCCCN;IPXTTYMFEUSMQG-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152668;MM152668;CNCCNCC(C)=O;XCIXTYVLXWMUPQ-UHFFFAOYSA-N;130.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152669;MM152669;C=C(F)CNCCNC;GAKLWNWYTMMVOH-UHFFFAOYSA-N;132.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152670;MM152670;CCCCOCC(C)=O;UYNCDYOFUJEUQN-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152671;MM152671;N=C(N)COCCCN;WMIKBJCXEMDYFV-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152672;MM152672;N=C(N)COCCCO;YQKJIQDDZPKLMR-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152673;MM152673;CCCCOCC(N)=O;SEOAMSPSZRUHBB-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152674;MM152674;NCCCOCC(N)=O;UXKJTTFYGPSDIE-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152675;MM152675;NC(=O)COCCCO;AWWNNRQFPNTOMG-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152676;MM152676;Nn1ccc(O)n1;XIHMGRFTGMUSPL-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152677;MM152677;Cn1nc(NO)cc1O;YTMKNHOMNQRHPA-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152678;MM152678;CNCCOCC(=N)N;ZWFPAPUWTYADRO-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152679;MM152679;CNCCOCC(N)=O;QVWSATRTJSQIBH-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152680;MM152680;COCCOCC(=N)N;XWEKVWANCJRPDF-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152681;MM152681;COCCOCC(N)=O;IGMNPRJAMCOILX-UHFFFAOYSA-N;133.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152682;MM152682;Nc1cc(=O)nc(O)n1N;NPNIFMOZPCRPTC-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152683;MM152683;CCOCOCC(=N)N;OGEMTTCJXISNBU-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152684;MM152684;C=C(F)COCOCC;HVNQZLWPKCUSIO-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152685;MM152685;CCCCCNC(C)=N;KUXQEQRPBKEDHD-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152686;MM152686;CC(=N)NCCCCN;IUQNGZHGJFEQSP-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152687;MM152687;CC(=N)NCCCCO;HFLFNDYNDFGZQO-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152688;MM152688;NC=CC(=NO)NCCO;MRCGRBIUUUASPL-UHFFFAOYSA-N;145.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152689;MM152689;CC(=O)NCCCCN;KLZGKIDSEJWEDW-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152690;MM152690;CC(=O)NCCCCO;OLKOIWQNCSVBCU-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152691;MM152691;CCCCCNC(N)=O;MONRWRVYLOHUFA-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152692;MM152692;CNCCCNC(C)=O;OVFQJXJSSRLTRQ-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152693;MM152693;COCCCNC(C)=O;DYRIBFOWRXHQNS-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152694;MM152694;CCNCCNC(C)=O;WIAGPADICWLXLT-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152695;MM152695;CCNCCNC(N)=O;YZUQKLWIDRKYPC-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152696;MM152696;CCOCCNC(=N)N;LQTVPAOPUNVNSQ-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152697;MM152697;OCCCNC(=NO)NO;MVERJHSZJLBCJE-UHFFFAOYSA-N;149.15;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152698;MM152698;N=C(N)NNCCCN;JSXCPWKHZQOJEL-UHFFFAOYSA-N;131.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152699;MM152699;NCCCNNC(N)=O;QRAASUPVVLPVHS-UHFFFAOYSA-N;132.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152700;MM152700;N=CNc1c[nH]c(C=O)n1;MSRUHWRCMRKLTA-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152701;MM152701;CNCCNNC(C)=N;IEGFYRXNLLMWIX-UHFFFAOYSA-N;130.2;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152702;MM152702;CNCCNNC(=N)N;NGXVAJHXPPBTAD-UHFFFAOYSA-N;131.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152703;MM152703;CNCCNNC(N)=O;RFGPSQCGZFJIMD-UHFFFAOYSA-N;132.17;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152704;MM152704;C#CC1OC1CC(=O)NN;XEBBZYYQJGGSHS-UHFFFAOYSA-N;140.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152705;MM152705;CCCCONC(C)=O;YSZUVUSAYWOERB-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152706;MM152706;CC(=O)NOCCCN;MQPMRMAMZXTBAH-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152707;MM152707;N=C(N)NOCCCN;JGMONYLSKFKAJN-UHFFFAOYSA-N;132.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152708;MM152708;N=C(N)NOCCCO;HTZFRYRKLJJQEA-UHFFFAOYSA-N;133.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152709;MM152709;N=C(N)NOCCCF;FQADEPJUEKRZMJ-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152710;MM152710;NC(=O)NOCCCO;ZCKCZWIFNYTIKZ-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152711;MM152711;CNCCONC(=N)N;MHOLONPUVXXVDZ-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152712;MM152712;CNCCONC(N)=O;PKDLBUOLJUKKDX-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152713;MM152713;COCCONC(=N)N;JJFNVBFFCDETQW-UHFFFAOYSA-N;133.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152714;MM152714;COCCONC(N)=O;YHSXFLOVPCKPND-UHFFFAOYSA-N;134.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152715;MM152715;CCOCONC(C)=N;HIQZYAKSVWNDFW-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152716;MM152716;CCOCONC(=N)N;QMFIQNPOBREGEQ-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152717;MM152717;CCOCONC(N)=O;SFWZOYCLWWVASL-UHFFFAOYSA-N;134.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152718;MM152718;C=C(C)OCCCCO;JOTNPMZGUWLEEU-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152719;MM152719;C=C(C)OCCCCF;CQPBYSUYEWKHNE-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152720;MM152720;CC(=O)OCCCCF;APLJRWZEMBRHHT-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152721;MM152721;CCCCCOC(=N)N;MQGIZEGXBCYLRV-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152722;MM152722;CCCCCOC(N)=O;MYDQAEQZZKVJSL-UHFFFAOYSA-N;131.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152723;MM152723;NCCCCOC(N)=O;ZDALZJAJYNCNHF-UHFFFAOYSA-N;132.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152724;MM152724;NC(=O)OCCCCO;LMUUYCHNLMKVFR-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152725;MM152725;C=C(C)OCCCNC;YALWUHPPYBBUFB-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152726;MM152726;CNCCCOC(C)=O;NXDPSADBEFMHTP-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152727;MM152727;CNCCCOC(N)=O;KSLCJQXMMVUMTP-UHFFFAOYSA-N;132.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152728;MM152728;COCCCOC(N)=O;RYJFTFGBRPTACZ-UHFFFAOYSA-N;133.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152729;MM152729;CCNCCOC(N)=O;UXALCKDTHIIOEG-UHFFFAOYSA-N;132.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152730;MM152730;CCOCCOC(C)=O;SVONRAPFKPVNKG-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152731;MM152731;CCOCCOC(=N)N;SUSRIFRDWNKEQA-UHFFFAOYSA-N;132.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152732;MM152732;C=C(C)OCOCCC;AYHDGTRFMRXOSF-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152733;MM152733;C=C(C)OCOCCN;WPYINMCGAJBNLC-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152734;MM152734;CCCOCOC(C)=O;HNYIJJOTPSKGJM-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152735;MM152735;CC(=O)OCOCCN;DPYUOKKIOBYZNX-UHFFFAOYSA-N;133.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152736;MM152736;CC(=O)OCOCCF;ZMAKRIUOAHGIFK-UHFFFAOYSA-N;136.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152737;MM152737;CCCOCOC(=N)N;KMZAGNBLOPANNZ-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152738;MM152738;N=C(N)OCOCCN;FLKPVJTVSRGJDA-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152739;MM152739;N=C(N)OCOCCO;OPUPWQFGPDUOPK-UHFFFAOYSA-N;134.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152740;MM152740;NC(=O)OCOCCO;BAPYNUNWQYYDSL-UHFFFAOYSA-N;135.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152741;MM152741;COCOCOC(C)=O;BWIJFFMRPNEJMH-UHFFFAOYSA-N;134.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152742;MM152742;COCOCOC(=N)N;SNVYPNWZUMGJCU-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152743;MM152743;COCOCOC(N)=O;LDNXUIHISUUCNI-UHFFFAOYSA-N;135.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152744;MM152744;C=CCCCCC(=C)C;GRMXFZGBPICEAU-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152745;MM152745;C=C(C)CCCCC=O;KWEANJFHGDMMKD-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152746;MM152746;C=C(C)CCCCC#N;ZMKLVCPTSRCYGO-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152747;MM152747;C=CCCCCC(C)=O;RXHCEQYNSQNEOK-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152748;MM152748;C=CCCCCC(=N)N;UDQMFVWGKAAUSW-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152749;MM152749;CC1=C(NO)CN=C1C=O;UVHNPCAKQKSFCB-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152750;MM152750;CN=C1NN=C(C=O)ON1;CHFQVYUDAXPMLY-UHFFFAOYSA-N;142.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152751;MM152751;C=CCCCCC(=O)O;RWNJOXUVHRXHSD-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152752;MM152752;N#CCCCCC(=O)O;SKUPALMUTWEAPI-UHFFFAOYSA-N;127.14;1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152753;MM152753;C=C(F)CCCCC=O;DFQLTZOTMMBWHI-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152754;MM152754;C=C(F)CCCCC#N;FTRHANXTFVDUFW-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152755;MM152755;C=CC(C=CC)=NO;GIGAXGPCTWQFKG-UHFFFAOYSA-N;111.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152756;MM152756;C=C(F)CCCNC=N;ZDXUFDQXGKTNLM-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152757;MM152757;CC1N(C)CC1(O)C=O;LWGCMNNINUNDJL-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152758;MM152758;CCC(O)C(=O)NNC;ZJUZIHWXKMJNHM-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152759;MM152759;C=COCCCC(=C)C;RNZJJFIVTJRZMG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152760;MM152760;C=COCCCC(C)=O;NGDUHWPFMXIAGX-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152761;MM152761;N=C(N)CCCOC=O;NPAIKHKCVVBMSF-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152762;MM152762;N=c1[nH]oc(=NO)c(=O)o1;BVJLPBTWSNINEP-UHFFFAOYSA-N;145.07;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152763;MM152763;O=c1[nH]n(O)c(=O)o1;DKAUBKJUSYOSOK-UHFFFAOYSA-N;118.05;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152764;MM152764;C=NOCCCC(=C)C;BQARJOCTKDDRGU-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152765;MM152765;C=NOCCCC(=N)N;BQMWOXKBTNTOLL-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152766;MM152766;C=CCNCCC(=C)C;XKOYNEYVTARKIJ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152767;MM152767;C=C(C=O)C(=O)NNC;RIKDRUKZWXVKJS-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152768;MM152768;C=CCNCCC(=N)N;FYEGUVZBICHPFB-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152769;MM152769;N#CCNCCC(=N)N;JSIDOFZMJYJLMW-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152770;MM152770;C=CCNCCC(N)=O;BGRBSAXCIXLYCF-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152771;MM152771;ON=CNCCC1CC1;GZBLPMOQZWJRFZ-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152772;MM152772;C=CCNCCC(=C)F;RASXPIDTGSZXDX-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152773;MM152773;C=C(C)CCNNC=N;PHDQISXCSHPDIK-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152774;MM152774;CC(C)=NOCC(=O)NN;OFHJHGUTJSIHAE-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152775;MM152775;CCNC(=NO)NC(C)=O;FXNQXMPYJKPWET-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152776;MM152776;C=CCOCCC(=C)C;RSEVRXQGJPSOCG-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152777;MM152777;C=C(C)CCOCC#N;OXEXOXNMEUUQBA-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152778;MM152778;C=CCOCCC(C)=O;AVGCAKLAQCVLRK-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152779;MM152779;C=CCOCCC(=N)N;FFSMHARYFHUGRQ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152780;MM152780;N=C(N)CCOCC=O;UCMHAJHCSHUMQZ-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152781;MM152781;N#CCOCCC(=N)N;ZBCFNPWPEZIASL-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152782;MM152782;NC(=O)CCOCC=O;MJYLMDCNEVGXIO-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152783;MM152783;N#CCOCCC(N)=O;OSXNBKVGKDHHDK-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152784;MM152784;O=c1cc(F)cnn1O;MLXPTFKIWYTRPK-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152785;MM152785;CC#Cc1n[nH]c(=O)n1O;HAVHXZSHBFFIRA-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152786;MM152786;C=CCOCCC(=C)F;RBYTUJKPWPJILG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152787;MM152787;C=C(F)CCOCC=O;FHBRJUGFSMRVEI-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152788;MM152788;C=C(F)CCOCC#N;CSKKJFWJRWDCJZ-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152789;MM152789;C=C(C)CCONC=N;DDSKZIZUFUGIOJ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152790;MM152790;CC(=O)CCONC=O;BZJVISKMDQBKCQ-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152791;MM152791;N=CNOCCC(=N)N;LFJUNBNUYJRUKP-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152792;MM152792;Cn1c(F)c(O)c(F)c1F;ARCWVKFCROTVII-UHFFFAOYSA-N;151.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152793;MM152793;C=CC(=NN)C(O)C(=C)F;WTAQKVMKSVMFKS-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152794;MM152794;N#CCCNCC(=N)N;AIIZLHSEFIFUNM-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152795;MM152795;C=C(C)COCCC#N;QADWFIJAPKGJRO-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152796;MM152796;N#CCCOCC(=N)N;WZYUCRASTOEQDP-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152797;MM152797;NC(=O)COCCC=O;KFJSPBJRXZRCMN-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152798;MM152798;O=Cc1cnc(=O)n(O)c1;XKJIRYXBWADBEV-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152799;MM152799;C=C(F)COCCC=O;VNOHYVNCMNHPGH-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152800;MM152800;C=C(F)COCCC#N;ZAKDVHWNLFCNRX-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152801;MM152801;C=COCOCC(N)=O;DMDRGOOZHLDAGH-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152802;MM152802;NC(=O)COCOC=O;OIRDYQJUKPKCPG-UHFFFAOYSA-N;133.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152803;MM152803;Cc1nn(C)c(=O)n1O;NKFMGVSIYRGUCA-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152804;MM152804;C=COCOCC(=C)F;MZHLDWYKASPKPP-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152805;MM152805;C=NOCOCC(=N)N;VVFNZTHUDXXYTM-UHFFFAOYSA-N;131.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152806;MM152806;C#CC(O)CNC(=O)NN;DEODJFFUQRWJRF-UHFFFAOYSA-N;143.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152807;MM152807;CCn1nc(C)n(O)c1=O;XUBUYFHZKLOJRK-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152808;MM152808;C=NOCOCC(=C)F;YUYKCDHRWOLAEC-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152809;MM152809;C=CCCCNC(C)=N;NVQZCQLQFNLXAI-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152810;MM152810;CC(=O)NCCCC=O;DDSLGZOYEPKPSJ-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152811;MM152811;N=C(N)NCCCC=O;VCOFTLCIPLEZKE-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152812;MM152812;N#CCCCNC(=N)N;AXMXTCIXAIMFAW-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152813;MM152813;NC(=O)NCCCC=O;FWDXDYKCIMLXDF-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152814;MM152814;N#CCCCNC(N)=O;SZTRSXCSXBCRME-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152815;MM152815;CC(=N)NCCNC=N;QOYMEKVAWOLUQK-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152816;MM152816;N=CNCCNC(=N)N;GJXVVDWDAAEUGN-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152817;MM152817;C=COCCNC(C)=N;RAPSLCAVQLCDHE-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152818;MM152818;CC(=N)NCCOC=O;YFGZUESOOMDXAU-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152819;MM152819;C=COCCNC(=N)N;UOEONZHOKUTQPX-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152820;MM152820;C=COCCNC(N)=O;XHJRWVTZUOPCBI-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152821;MM152821;C=NOCCNC(C)=N;WWACLMXNTFYWSI-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152822;MM152822;CCC(=O)NC(=NO)NC;CHPNBIZLEJHCHW-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152823;MM152823;C#CC(C)N(N)C(=O)NN;MPZQEJDSCAUZKD-UHFFFAOYSA-N;142.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152824;MM152824;C=CCCNNC(C)=N;DOGXLCAUZYTMAO-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152825;MM152825;CC(=N)NNCCC#N;FVPRKKZEDITRJJ-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152826;MM152826;CNN=CC(O)C(O)C=O;IAQOBLLDNIZJCB-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152827;MM152827;CC(=O)NNCCC#N;YFGPJYNCAPSRRF-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152828;MM152828;N#CCCNNC(=N)N;YDJVASRHJMSPKX-UHFFFAOYSA-N;127.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152829;MM152829;CCC=CC(O)C(=O)NN;FKYWFKCPZKCCGI-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152830;MM152830;C=CCCONC(C)=N;UKBVKSKOHCVSGR-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152831;MM152831;CC(=N)NOCCC#N;XWIMRUONYLYVHB-UHFFFAOYSA-N;127.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152832;MM152832;N=C(N)NOCOC=O;LGCKMLLZZAJSPW-UHFFFAOYSA-N;133.11;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152833;MM152833;C=COCONC(N)=O;CXHRDWMBFCZAHB-UHFFFAOYSA-N;132.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152834;MM152834;NC(=O)NOCOC=O;KZFWOBKZRYDREW-UHFFFAOYSA-N;134.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152835;MM152835;C=CCCCOC(=C)C;IOCKEILKLPFBMU-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152836;MM152836;C=C(C)OCCCC=O;VUQZZVGSUQOPKU-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152837;MM152837;C=C(C)OCCCC#N;FKUMOXVKIMRCAT-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152838;MM152838;CC(=O)OCCCC#N;JFIIEFQXIRYDBV-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152839;MM152839;NC(=O)OCCCC=O;YQLHGXMVTGHCOS-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152840;MM152840;C=C(C#N)N=CNNC=O;YTPQCIUQYYCLHL-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152841;MM152841;N=CNCCOC(=N)N;CKBROQDRTCPZAX-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152842;MM152842;N=C(N)OCCNC=O;NOVMROBTKDLGHT-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152843;MM152843;NC(=O)OCCNC=O;VRMSDBICFIRQQD-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152844;MM152844;C=NNCCOC(=C)C;ZOIFMNHIBQDVHV-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152845;MM152845;C=NNCCOC(C)=O;CNRUYDUGPLBQFO-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152846;MM152846;CCC=NN=CC(=O)NN;SBQNXHDTHLSFGT-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152847;MM152847;C=COCCOC(=C)C;PGCZOCYKSVOCPK-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152848;MM152848;CC(=O)OCCOC=O;LFGXUAPUBQKJIQ-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152849;MM152849;C=COCCOC(=N)N;YLHGWCGDGIJUQZ-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152850;MM152850;N=C(N)OCCOC=O;OFVGUDTYGAMAMY-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152851;MM152851;NC(=O)OCCOC=O;YISXFBQYWGEADH-UHFFFAOYSA-N;133.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152852;MM152852;C=NOCCOC(=C)C;DAHXHVKGGVIWSZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152853;MM152853;C=NNC(CO)C(=O)NN;NMLUMUIXMAJUMJ-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152854;MM152854;C=CCOCOC(=C)C;KTKFVVKBFPZIPR-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152855;MM152855;C=CCOCOC(C)=O;NBGUSBVPRPLUON-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152856;MM152856;CC(=O)OCOCC=O;DHUITQYZZYDUEQ-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152857;MM152857;CC(=O)OCOCC#N;APMPEILFEKNYDM-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152858;MM152858;C=CCOCOC(=N)N;FSVGZHAFSPLQLL-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152859;MM152859;N=C(N)OCOCC=O;QXJULQPKCCYYFC-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152860;MM152860;NC(=O)OCOCC=O;BBBSFKGQJVOZFJ-UHFFFAOYSA-N;133.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152861;MM152861;C=C(C)OCONC=N;SVBNSIZCSBRPLW-UHFFFAOYSA-N;130.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152862;MM152862;C=C(C)OCONC=O;XTJZFYOKLJULSG-UHFFFAOYSA-N;131.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152863;MM152863;CC(=O)OCONC=O;FDACALSMICUCNF-UHFFFAOYSA-N;133.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152864;MM152864;N=CNOCOC(=N)N;DPCFOMXGXHKBRY-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152865;MM152865;N=C(N)OCONC=O;VLYCUIBNXGDVHK-UHFFFAOYSA-N;133.11;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152866;MM152866;N=CNOCOC(N)=O;BVINIJWKQSNTMD-UHFFFAOYSA-N;133.11;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152867;MM152867;NC(=O)OCONC=O;SYLPDCSKTHXZCA-UHFFFAOYSA-N;134.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152868;MM152868;C#CCCCCC(=C)C;UCABWHRXIUSQDS-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152869;MM152869;C#CCCCCC(C)=O;REYJZHHJFVWMSE-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152870;MM152870;CCN(C)C(=NO)NC=O;LWWPUFAZZWQJMF-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152871;MM152871;C#CCCCCC(=O)O;OFCPMJGTZUVUSM-UHFFFAOYSA-N;126.16;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152872;MM152872;C#CCCCCC(=C)F;BZIMZRBQVLQLRM-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152873;MM152873;C#CCNCCC(=C)C;IMVWOVYCMVVVSM-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152874;MM152874;C#CCNCCC(C)=O;HVNALBZQWUZHOI-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152875;MM152875;C#CCNCCC(=N)N;LVYLFNYHKJVNMN-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152876;MM152876;C#CCNCCC(=C)F;CUAJGMRUSZAZHC-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152877;MM152877;C#CCOCCC(=C)C;LWSLVPFMEJZDSE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152878;MM152878;C#CCOCCC(=C)F;AESZZCGPDQXHPR-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152879;MM152879;C#CCCNCC(=N)N;JJBZYUSEDXVAMP-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152880;MM152880;C#CCCOCC(=C)C;HESRSIFIUCUAHZ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152881;MM152881;C#CCCOCC(C)=O;CBJBGFCEUGEOLD-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152882;MM152882;C#CCCOCC(=N)N;SJVWAOKHFZUFRC-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152883;MM152883;C#CCCOCC(N)=O;HKDNUPGESYPQEG-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152884;MM152884;C#CCCOCC(=C)F;MKBSKAPTGMHVAL-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152885;MM152885;C#CCCCNC(C)=N;VBLSUHLWENFSFK-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152886;MM152886;C#CCCCNC(C)=O;PHKPHTDQGXMZLX-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152887;MM152887;C#CCCCNC(N)=O;LEGKRSYHLNVGEJ-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152888;MM152888;C#CCCNNC(=N)N;ZKWUMIUYJFBFCI-UHFFFAOYSA-N;126.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152889;MM152889;C#CCCONC(=N)N;OILUJHDPAOMKDH-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152890;MM152890;C#CCCONC(N)=O;IRCPERMSADOYHN-UHFFFAOYSA-N;128.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152891;MM152891;C#CCCCOC(=C)C;IGWABCMOVNWQNZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152892;MM152892;C#CCCCOC(C)=O;UZNIPEZTZSRYGI-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152893;MM152893;C#CCCCOC(=N)N;OOVSDERRKGLIBW-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152894;MM152894;C#CCCCOC(N)=O;RAMUCQPFAMJJGT-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152895;MM152895;C#CCOCOC(=C)C;XHZLDVXUFYAUGW-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152896;MM152896;C#CCOCOC(=N)N;VOZXRQYNGFHYKF-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152897;MM152897;C#CCOCOC(N)=O;BVNXEINNZCLLKY-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152898;MM152898;CC=CCCCC(C)C;RGNHLFZGJBKNHR-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152899;MM152899;CC=CCCCC(C)N;HDBPMDXNLSELNK-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152900;MM152900;CC(N)CCCC=CF;XNSLIMPCWHHBMH-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152901;MM152901;C#CC(=CNC)C(=O)NN;OBPGOUOJLHUSRU-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152902;MM152902;CC(F)CCCC=CF;QKXGWKZHVBYNBM-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152903;MM152903;C=CNC(=NO)NC=NN;SBTGOJYDGCMJHU-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152904;MM152904;CC(F)CCCC=NN;UTFMVBUOPKDDMR-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152905;MM152905;CC(F)CCCC=NO;GKLLWHHYYVIBAJ-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152906;MM152906;CN=CNCCC(C)N;HPRYHTWYKAONCO-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152907;MM152907;CN=CNCCC(C)O;XHPWXEPALRXBEZ-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152908;MM152908;CN=CNCCC(C)F;DZZCFQGOQBHHJV-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152909;MM152909;CN=CNCCC(F)F;LMBYNRPDXGFYSJ-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152910;MM152910;CC=NNCCC(F)F;SZINVCADWVMNLB-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152911;MM152911;CC=COCCC(C)C;WODUUISZETYFRB-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152912;MM152912;CC(C)CCOC=CF;HKKMYZXXOSIEST-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152913;MM152913;CC=COCCC(C)N;CDCZTKSCYQYJCY-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152914;MM152914;CC=COCCC(C)O;OOYYMSXVQINCNK-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152915;MM152915;CC(F)CCOC=CF;JAZUQYNYSYXGMN-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152916;MM152916;FC=COCCC(F)F;DOTOKHKZJLHDSJ-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152917;MM152917;CC(C)CCOC=NO;WTNPPOMONDOVAO-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152918;MM152918;CC(N)CCOC=NO;MUSLAOSXLBVCGG-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152919;MM152919;CC(O)CCOC=NO;UXSRKEGMKPKODK-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152920;MM152920;CC=NOCCC(C)C;OBSCKIMSRZLYQL-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152921;MM152921;CC=NOCCC(C)N;KPGLUQWXOMXONI-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152922;MM152922;C=C(C)C(=NO)N(N)CC;IOAMMHIBKDRMGU-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152923;MM152923;CC=NOCCC(C)F;IOGHMFJFWAWOOQ-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152924;MM152924;CC=NOCCC(F)F;QZZFVTCOJMXBIG-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152925;MM152925;CC(C)CNCC=CF;PLMPNAWRFHYDAK-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152926;MM152926;CC=CCNCC(C)N;LZJVTCLSMSRDAR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152927;MM152927;CC=CCNCC(C)O;PTRDHQQNKFRAQD-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152928;MM152928;FC=CCNCC(F)F;UWUDFJNWYWYKPC-UHFFFAOYSA-N;139.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152929;MM152929;CC(C)CNCC=NO;JTGVITBJCLGSFN-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152930;MM152930;C#CC1(C(=O)NNC)CC1;QLSBPSNWNBEPLM-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152931;MM152931;CN=CNNCC(C)F;BQWDBBFSJJJCLN-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152932;MM152932;O=CNNCC(O)CF;XWSOWDFKSGSNGL-UHFFFAOYSA-N;136.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152933;MM152933;CC=CCOCC(C)N;QCBKZVFSWIVBDZ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152934;MM152934;CC(C)COCC=NO;LGBDDTKVGYSWKS-UHFFFAOYSA-N;131.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152935;MM152935;CC(N)COCC=NO;NRHSYUAFJKITOS-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152936;MM152936;C=NNc1cc(F)on1;BJAGKLPOWFCKQI-UHFFFAOYSA-N;129.09;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152937;MM152937;CC(O)COCC=NO;NMBYBRLPMGDDGV-UHFFFAOYSA-N;133.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152938;MM152938;NN=CCOCC(F)F;PZOCCGJLAPQUFJ-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152939;MM152939;CC(C)CON=CNN;CMBGSURXXPINEI-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152940;MM152940;C=CCNC(CC)=NO;YAFNIZPSHWLWJG-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152941;MM152941;CC(N)CON=CNO;NLHGCFOGBGDAPS-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152942;MM152942;CNC(C=O)C(=O)C(N)=O;RIEBKBLWJUBYBQ-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152943;MM152943;C=C(F)C(O)C(O)C=NN;RNYRHSUCMIITFQ-UHFFFAOYSA-N;148.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152944;MM152944;CC(F)CON=CNN;JFOXWEDOBGDZDR-UHFFFAOYSA-N;135.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152945;MM152945;CN=CNOCC(F)F;QTKLPSYCJILTRD-UHFFFAOYSA-N;138.12;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152946;MM152946;CC=CCCNC(C)C;RADBCVOCEMXGFQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152947;MM152947;CC(C)NCCC=CF;FVDXDFUGOIDQKK-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152948;MM152948;CC(C)NCCC=NN;SLNYDZMYDAUTEM-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152949;MM152949;CC(C)OCCC=NO;GLLUROOYGDRAFI-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152950;MM152950;CC=NOCOC(C)C;TUYRQDWJWFFBDT-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152951;MM152951;CC=CCCCN(C)C;AWAZCUGJHWMHNZ-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152952;MM152952;CN(C)CCCC=NN;QMMRVNYAQOHZEX-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152953;MM152953;CC=COCCN(C)C;UYJPJHUYBKRXLY-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152954;MM152954;CN(C)CCOC=CF;YNTODSBLLINLIL-UHFFFAOYSA-N;133.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152955;MM152955;C=C(C)CCCC=CC;KTYBKOJXRMJIPK-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152956;MM152956;CC=CCCCC(C)=O;FPXPWFLCGOFSTQ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152957;MM152957;CC=CCCCC(=N)N;MCMZXQCABZXRRF-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152958;MM152958;C=CC(OC)OC(=O)NN;KVSXQDNBBWQGNB-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152959;MM152959;C=C(F)CCCC=CC;WRUWHKRKIULLGS-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152960;MM152960;N=C(N)CCCC=NN;DYRMNZWTCBAQCN-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152961;MM152961;N=C(N)CCCC=NO;YUIGMXXZTLIPQN-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152962;MM152962;C#CC(CO)NC(=O)NN;FTPOQXBBBNRYHA-UHFFFAOYSA-N;143.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152963;MM152963;C=C(C)CCNC=NC;QHPHKOMNWKOMRW-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152964;MM152964;C=C(C)CCN=CNN;SFZIJGIERPRVND-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152965;MM152965;CN=CNCCC(=N)N;PVVVALMNIYZDIM-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152966;MM152966;N=C(N)CCN=CNO;ILQYELTWFYBCLK-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152967;MM152967;CN=CNCCC(N)=O;OMDHATVJRWCDAD-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152968;MM152968;C=C(F)CCNC=NN;MOAJIFDDMMDGNN-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152969;MM152969;C=NOCC(O)C(=O)C=O;BVCWFCABGWZBTK-UHFFFAOYSA-N;145.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152970;MM152970;C=C(C)CCOC=CC;HLAIAWCXMGJIIG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152971;MM152971;C=C(C)CCOC=CF;ZQBSJPJLVOEWGR-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152972;MM152972;CC=COCCC(C)=O;KNDQVIYOWJAVAV-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152973;MM152973;CC(=O)CCOC=CF;QYSJCFIMUBJITJ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152974;MM152974;CC=COCCC(=N)N;UOXPZDYUBCAYOD-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152975;MM152975;O=C1C=CC(=CO)N1;XJDFPZGLVXKAQI-UHFFFAOYSA-N;111.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152976;MM152976;Nc1c(O)on(O)c1=O;YQYNINALJNYCOL-UHFFFAOYSA-N;132.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152977;MM152977;C=C(F)CCOC=CC;GHMBSUFYQQWJTQ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152978;MM152978;C=C(F)CCOC=CF;FILFNAJQCIKMNR-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152979;MM152979;CC(=NN)C(O)C#CCO;SAGJDKZVRHQPLS-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152980;MM152980;C=C(C)CCOC=NO;BJBVGIFYCQAEBB-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152981;MM152981;N=C(N)CCOC=NN;BOODCSAJPIXEDU-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152982;MM152982;N=C(N)CCOC=NO;JLGNOXPQUHNQRR-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152983;MM152983;NNC(=O)CCC#CCF;QNFOYLJJLQXNIU-UHFFFAOYSA-N;144.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152984;MM152984;NC(=O)CCOC=NO;VKDKWRAPWSQJMF-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152985;MM152985;C#Cc1oc(F)c(C)c1O;ITEAJEHOZAAOIC-UHFFFAOYSA-N;140.11;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152986;MM152986;CC(=NN)C(=O)NN;YOERZSZIODPOEH-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152987;MM152987;C=C(F)CCOC=NO;QCHURLQJXGOTOY-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152988;MM152988;C=C(C)CCON=CC;IZYRNVKWSCNPSP-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152989;MM152989;NNC(=O)CNC(N)=O;TWCSFDOLPNCHKY-UHFFFAOYSA-N;132.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152990;MM152990;C=C(F)CCON=CC;WYNLHJGUCGIINS-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152991;MM152991;C=C(C)CNCC=CC;IRKCOILDHAXZHD-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152992;MM152992;C=C(C)CNCC=CF;BJGZNIGIRMLDTQ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152993;MM152993;N=C(N)CNCC=NO;UUSZWUMZPJJMGY-UHFFFAOYSA-N;130.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152994;MM152994;CNN=CC(=O)NNC;JRHIUSGLZBLKNJ-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152995;MM152995;C=C(F)C(O)C(C)=NN;IHQDCCUCMAMVTC-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152996;MM152996;N=C(N)CNNC=NN;IKKJJENSOGPKCI-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152997;MM152997;N=C(N)CNN=CNO;SNRARTQUFGSWKH-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152998;MM152998;C#CC(O)CNNC=O;SYZWOUPKHUFNEE-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM152999;MM152999;C=C(C)COCC=CC;QDHBHNUONLRGIQ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153000;MM153000;CC=CCOCC(C)=O;OTIHDTXXWMELTP-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153001;MM153001;CC(=O)COCC=CF;ZTRFYPFLZCEDJM-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153002;MM153002;CC=CCOCC(=N)N;QOXBTHJLFVFIDS-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153003;MM153003;N=C(N)COCC=CF;ZRLJVQINLLHRCC-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153004;MM153004;CC=CCOCC(N)=O;WLKKNAQPCBYBRP-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153005;MM153005;NC(=O)COCC=CF;PVUIIHDZTMZSPW-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153006;MM153006;C=C(C)COCC=NO;PDTILBZTVQOUPG-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153007;MM153007;N=C(N)COCC=NN;QVAFKLVIZDBYFZ-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153008;MM153008;NNC(=O)CCOC=O;HRVCPPKLBFTFKJ-UHFFFAOYSA-N;132.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153009;MM153009;NNC(=O)N(N)CCO;ICZBMHRLJYBOCD-UHFFFAOYSA-N;134.14;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153010;MM153010;C=CC(C=CCC)=NO;PNYBBRZNGFJZIO-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153011;MM153011;N=C(N)CON=CNO;JKWLDHRFPMMHQJ-UHFFFAOYSA-N;132.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153012;MM153012;COC1=NCC(NO)=C1;HSWICUFFAJOPTG-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153013;MM153013;C=C(F)CONC=NO;VGBPORMVCAYXIN-UHFFFAOYSA-N;134.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153014;MM153014;CC=CCCNC(C)=N;RFTGCMGKNJJBJT-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153015;MM153015;C#Cc1cc(C=C)n[nH]1;PJUNCVNDKZDICB-UHFFFAOYSA-N;118.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153016;MM153016;CC(=N)NCCC=NN;HPOFWZNPVRQVOO-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153017;MM153017;CC(=N)NCCC=NO;BIGQHQRXHJPOCA-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153018;MM153018;CC(=O)NCCC=NO;TTXAILUGMOIBEB-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153019;MM153019;C=NN1CC1C(=O)NN;GKIVSWYEQQCYAG-UHFFFAOYSA-N;128.14;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153020;MM153020;O=CNNCCOC=O;ACSBAYOWIRQLGS-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153021;MM153021;NC(=O)NNCC=NO;UMTHBAINAPHAON-UHFFFAOYSA-N;132.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153022;MM153022;CC=CCONC(C)=N;UIRSWBPJSBUMRJ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153023;MM153023;CC=CCONC(C)=O;RMZUQBJWRGBKMS-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153024;MM153024;N=C(N)NOCC=CF;DJDKEEAONDWXJQ-UHFFFAOYSA-N;133.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153025;MM153025;CC=CCONC(N)=O;BSRJTNILPUGMAQ-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153026;MM153026;NC(=O)NOCC=CF;GTEHORITXCEYSE-UHFFFAOYSA-N;134.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153027;MM153027;N=C(N)NOCC=NN;MIUUZAXFOCAWPR-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153028;MM153028;CC=CCCOC(=N)N;BTNKEUILRUGFHW-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153029;MM153029;CC=CCCOC(N)=O;WOXCWGBQSVLRCW-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153030;MM153030;NC(=O)OCCC=CF;AYZNIMLXHGBUMZ-UHFFFAOYSA-N;133.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153031;MM153031;C=C(C)OCCC=NO;TZPPEATXBLUSOM-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153032;MM153032;CC(=O)OCCC=NO;AVUFVSFHJIFICR-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153033;MM153033;N=C(N)OCCC=NO;DUMOLIKWKVJRGN-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153034;MM153034;C=C(C)OCOC=CC;MGWRKXPWLJDDMT-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153035;MM153035;CC=COCOC(C)=O;GSRGBHZYHMGNPC-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153036;MM153036;CC(=O)OCOC=CF;XBUGBQZRXOMFBH-UHFFFAOYSA-N;134.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153037;MM153037;CC=COCOC(=N)N;PXXZDRABWGYVRX-UHFFFAOYSA-N;130.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153038;MM153038;N=C(N)OCOC=CF;XZFRMHQBJRGJKQ-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153039;MM153039;CC=COCOC(N)=O;NVROTUMOPAIXIV-UHFFFAOYSA-N;131.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153040;MM153040;C=C(C)OCOC=NO;GOIRUZOOLXOZJK-UHFFFAOYSA-N;131.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153041;MM153041;N=C(N)OCOC=NO;XAAZFOBTOMBJAO-UHFFFAOYSA-N;133.11;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153042;MM153042;CN(C)C=NC(=O)CC#N;LJZMPCMMPATESL-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153043;MM153043;NC(=O)OCOC=NO;CPOCJCNAWSDMFK-UHFFFAOYSA-N;134.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153044;MM153044;C=C(C)OCON=CC;YXBOVGWMKUUAJL-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153045;MM153045;CC#CCCCC(C)C;OXQPOESSRYJBHM-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153046;MM153046;CC#CCCCC(C)N;LJHPKJYIRRLZLF-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153047;MM153047;CC(C)=NN(C)C(=O)NN;ZMQBEPGJEYLWJY-UHFFFAOYSA-N;144.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153048;MM153048;CC#CCNCC(C)C;VXRAZZHIHSYSPL-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153049;MM153049;CC#CCNCC(C)N;OJOBKNPRSAVTKS-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153050;MM153050;CC#CCOCC(C)C;IUQBSVVTAWNOMV-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153051;MM153051;CC#CCOCC(C)N;IWLDHPHQNKSISN-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153052;MM153052;CC#CCOCC(C)O;LDPWKSRGDPOXGF-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153053;MM153053;CC#CCCNC(C)C;HHUJTITYONAHEN-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153054;MM153054;CC#CCCCN(C)C;HRYDYMBKLHJTCA-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153055;MM153055;C=C(C)CCCC#CC;RUCNGVCEGAMLFR-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153056;MM153056;CC#CCCCC(C)=O;WOUCJINTQCLGSR-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153057;MM153057;CC#CCCCC(=N)N;LASXYJLRMVGSIX-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153058;MM153058;NN=COCC(O)C(N)=O;CMNHHAVQLOCTCB-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153059;MM153059;CC#CCCCC(=O)O;MHGHBWVIEFLKBM-UHFFFAOYSA-N;126.16;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153060;MM153060;C=C(F)CCCC#CC;LGLNLECEWZHOHM-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153061;MM153061;C=C(C)CNCC#CC;PVHIRJDXDRIUIG-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153062;MM153062;C=C(C)COCC#CC;BYCLHESHQBODEE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153063;MM153063;CC#CCOCC(=N)N;XPLBAEUNNWWHIQ-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153064;MM153064;CC#CCOCC(N)=O;ZWFZEFNNXOAPMO-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153065;MM153065;O=c1on(O)c(=O)cc1O;QANNHSQWWDDZFK-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153066;MM153066;CC#CCCNC(C)=N;PMFCKCMCBCCBOS-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153067;MM153067;CC#CCCNC(C)=O;SCCDHYDOPOPOCT-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153068;MM153068;CC#CCCNC(=N)N;VMEZQNNBMQLSFB-UHFFFAOYSA-N;125.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153069;MM153069;CC#CCCNC(N)=O;BGDVHPDEMAYGIR-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153070;MM153070;CC#CCNNC(=N)N;XVGGHSMAWNBLJC-UHFFFAOYSA-N;126.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153071;MM153071;CC(F)C(=O)NCC=NN;AYQQRAXYMNQBMP-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153072;MM153072;C=C(C)OCCC#CC;HLXRIRVOSVBQIU-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153073;MM153073;CC#CCCOC(C)=O;ZYEYHCGXDZKFHQ-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153074;MM153074;CC#CCCOC(=N)N;GWNJESRMXPXQBU-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153075;MM153075;CC#CCCOC(N)=O;IYEKNSGXVOUQIF-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153076;MM153076;CCC=CCCC(C)C;PVWWZQTXWUTHQT-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153077;MM153077;CC(C)CCC=CCN;GLUDABIERSFUOD-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153078;MM153078;CCC=CCCC(C)N;XHQLXQWGDNBUPB-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153079;MM153079;CC(N)CCC=CCO;SOFXOOMXBQKMNF-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153080;MM153080;CC(O)CCC=CCN;NAQSCTCUKRZMBS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153081;MM153081;CC(O)CCC=CCO;BXZJGSITDOUOHI-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153082;MM153082;CCC=CCCC(C)F;DKOZPWBZXIJPGR-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153083;MM153083;CC(F)CCC=CCN;HHVDXSFSEBKTRW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153084;MM153084;NCC=CCCC(F)F;HCAUTOAHBZPNCB-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153085;MM153085;FCC=CCCC(F)F;SVVLTPIHWPMFBN-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153086;MM153086;CON=CCCC(C)N;GUQWAJLRZVHIEW-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153087;MM153087;CON=CCCC(C)F;IFOVQHCAKZFJOM-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153088;MM153088;CCN=CNCC(C)C;PBMJXGAUUGGMMB-UHFFFAOYSA-N;128.22;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153089;MM153089;CNN=CNCC(C)N;QBUUMCAOAOKUQZ-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153090;MM153090;C#CC(C)(CO)C(=O)NN;LTVJYJZHSKSRBH-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153091;MM153091;CC(N)CNN=CCN;NQTVAGNCAAMPBP-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153092;MM153092;CC(N)CNN=CCO;MLDQCOXFLRPJRN-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153093;MM153093;CCC(C)=CC(=NO)NN;SPVPUJXGSOPXFS-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153094;MM153094;NC(=O)NNC1(CO)CC1;FWBOZWFABNQFGQ-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153095;MM153095;CCNNC(=O)C(C)=NN;KHSYXGVPWUXSTE-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153096;MM153096;CC(N)COC=CCN;RPBFNYZIQVICRY-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153097;MM153097;CC(N)COC=CCO;IGJCAKFXBXRAME-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153098;MM153098;CC(N)COC=CCF;MGUMDYSUNVVUTK-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153099;MM153099;CC(O)COC=CCN;AOQRDAFEZRUPIF-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153100;MM153100;CC(F)COC=CCO;CVVPKDXOSRTCHN-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153101;MM153101;CC(F)COC=CCF;BJKRUYDAWUWKGV-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153102;MM153102;NCC=COCC(F)F;XUNCNHVTIVFRKA-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153103;MM153103;COC=COCC(C)N;XKGISVGOHXPMFC-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153104;MM153104;COC=COCC(C)F;MUPLWTJNJQLDHA-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153105;MM153105;COC=COCC(F)F;QKFIVGVLXJGMIF-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153106;MM153106;CNN=COCC(C)N;XXTNPXZUWRDQFF-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153107;MM153107;C#CCC(C#C)NNC=O;ULNLDUMQGPDFGI-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153108;MM153108;CON=COCC(C)C;UTKBAIFZNPANHL-UHFFFAOYSA-N;131.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153109;MM153109;CON=COCC(C)N;UZSWQQWMHUPDDI-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153110;MM153110;CNN=CC(C=O)NC=O;QTUJLYOWLVYROY-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153111;MM153111;CCC=NOCC(C)C;HXDWFXDXHCQIAN-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153112;MM153112;CCC=NOCC(C)N;DIFJNSKGUAGUIQ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153113;MM153113;CC(N)CON=CCN;HAJHZYNIXBDGIP-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153114;MM153114;CC(N)CON=CCO;CCJFJBJYOCNAIU-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153115;MM153115;COC(C(=O)NN)=C(C)N;HBAYTDNDXFGRAM-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153116;MM153116;CN(C)C(C=CCO)=NO;GBRSQABFPSPNIS-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153117;MM153117;CC#Cc1c[nH]c(CF)n1;JQLXSQUCYFNFJH-UHFFFAOYSA-N;138.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153118;MM153118;CCC=NOCC(F)F;BSBZSQHNVXCJEF-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153119;MM153119;COC=NOCC(C)C;DNSTYCYZPPYARF-UHFFFAOYSA-N;131.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153120;MM153120;COC=NOCC(C)N;MAEHWBXLFDSPRB-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153121;MM153121;C=NNc1cc(OC)[nH]n1;RCWZJPYHMCKTCB-UHFFFAOYSA-N;140.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153122;MM153122;COC=NOCC(C)F;LDPHKXYQHDNHBN-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153123;MM153123;CCC=CCNC(C)C;SVEMAJMLEJATFQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153124;MM153124;CC(C)NCC=CCO;XEDAHMMRTYORBS-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153125;MM153125;CC(C)NCC=CCF;HCFSQWLODDBGBP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153126;MM153126;CON=CCNC(C)C;BCADIEHPZLEBGU-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153127;MM153127;CCC=CCOC(C)C;DVCKNFPLTFKYST-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153128;MM153128;CC(C)OCC=CCN;UWGISMYKSYBZQH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153129;MM153129;CC(C)OCC=CCF;NXXNLSJQZYQRCX-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153130;MM153130;C#CCC(=O)NNC1CC1;YADVWTLVVPCEMB-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153131;MM153131;CON=CNOC(C)C;HVTNVAHFDPEOQK-UHFFFAOYSA-N;132.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153132;MM153132;CCC=CCCN(C)C;AMTDJZJIHNPXJY-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153133;MM153133;CN(C)CCC=CCF;SUTAQTATRUCOEZ-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153134;MM153134;COC=CCCN(C)C;UKKZAGFQMMTLSJ-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153135;MM153135;CON=CCCN(C)C;BUWANRIFYYOJJX-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153136;MM153136;C=CC=CCCC(C)C;SUOZGEXIWCWKRG-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153137;MM153137;CC(C)CCC=CC=O;KYXCWBOZEWMWSY-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153138;MM153138;CC(C)CCC=CC#N;QLFFUUQKFWKCRJ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153139;MM153139;C=CC=CCCC(C)N;DCHNEEJMQPUEAW-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153140;MM153140;COCC#CCNNC=O;XOIDHHLAZXHJFW-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153141;MM153141;CNN=CCC#CCC#N;VVCYJOJGULKZEJ-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153142;MM153142;CC(=O)NCC(=O)NN;DEUWDGXVCKRGQI-UHFFFAOYSA-N;131.14;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153143;MM153143;C=CC=CCCC(C)F;WRDOWXLZCSUCSG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153144;MM153144;CC(F)CCC=CC=O;KAFVWDTZJRBTDT-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153145;MM153145;CC(F)CCC=CC#N;JTDDAMQGZZKBFX-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153146;MM153146;C=CC=CCCC(F)F;VFCHPTFLGNOSOX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153147;MM153147;O=CC=CCCC(F)F;CSEOIGGSMDJRPV-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153148;MM153148;N#CC=CCCC(F)F;QAQAMKOZTOQXRR-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153149;MM153149;C=COCC(=O)NNC;ULXDPYYUNFYGMO-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153150;MM153150;CC(C)CNC=CC=O;FWHBNMBSZZWGIO-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153151;MM153151;CC(C)CNC=CC#N;JAOVABDPGYZQIQ-UHFFFAOYSA-N;124.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153152;MM153152;CC(F)CNC=CC#N;LPHXHWRMPBOWPO-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153153;MM153153;CC(C)CN=CNC=N;XRGLOOLAMXTHRK-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153154;MM153154;C#CC(O)C(O)C=NN;XPBMAYAHYAWOGV-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153155;MM153155;CC(N)CN=CNC=N;MYKAIKPTLKJWIP-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153156;MM153156;CC(F)CN=CNC=N;KNRNXYYTCQCQBL-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153157;MM153157;CC(F)CN=CNC=O;MFTDMOVUUXJUHZ-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153158;MM153158;O=CNC=NCC(F)F;PJMOGOFELUXNFO-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153159;MM153159;C=NNC(=NC=O)NN;PUHAZUPMKVAVEJ-UHFFFAOYSA-N;129.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153160;MM153160;CC(O)(CO)C(=O)C(=N)N;VOFZAHOYFPPLDT-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153161;MM153161;C=C(C=O)CNNC(N)=O;DTKRGRHQCARXLF-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153162;MM153162;C=CCNNC(=O)COC;BVWSCXXLZFFOLC-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153163;MM153163;CC(C)CNN=CC#N;XQJONFWOGABHDN-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153164;MM153164;C=CC=NNCC(C)N;PCBQOHXWNGGQHT-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153165;MM153165;CNNC(=O)N(C)C=NN;JZJCIDRMUINNSH-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153166;MM153166;CC(F)CNN=CC#N;VMUGOWCVBSSKPL-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153167;MM153167;C=CC=NNCC(F)F;PCDMVLYYVHJMJJ-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153168;MM153168;CC(CO)OCC(=O)NN;YCKQQGMWUIJNEX-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153169;MM153169;C=CC=COCC(C)C;FMBCBKVQTWTEAZ-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153170;MM153170;CC(C)COC=CC#N;COXYIUUXNVSMBT-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153171;MM153171;C=CC=COCC(C)O;VMHZQJSRPGHWSE-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153172;MM153172;C=CC=COCC(C)F;WWPAVUABSUMNGZ-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153173;MM153173;CC(F)COC=CC=O;JGTLUBDJFLHUIL-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153174;MM153174;CC(F)COC=CC#N;PMIIDKIXZMZGSH-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153175;MM153175;N#CC=COCC(F)F;BDZDCJFCDYCLGT-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153176;MM153176;C=NN=COCC(C)F;NGAYXPBZYDECRB-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153177;MM153177;C=NN=COCC(F)F;NUBBIGZXTQRRNH-UHFFFAOYSA-N;136.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153178;MM153178;C=CC=NOCC(C)C;QFCAEOAOHYWDPA-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153179;MM153179;CC(C)CON=CC=O;JCSVDNJSUCXILE-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153180;MM153180;C#CC(C)NNC(=O)NC;BHCIFGVUDHLJIT-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153181;MM153181;C=CN(O)C=NC(C)C#N;IAMYLKUSNRKVGV-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153182;MM153182;CC(O)CON=CC#N;NMHXAVJBPCTKDF-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153183;MM153183;C=CC=NOCC(C)F;ZYGXMAXEWAACNY-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153184;MM153184;CC(F)CON=CC#N;POKQAIRGBWAHSM-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153185;MM153185;C=CC=NOCC(F)F;SMWRMCRVFBDHRN-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153186;MM153186;O=CC=NOCC(F)F;GYVXAUXTWJWFPT-UHFFFAOYSA-N;137.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153187;MM153187;N#CC=NOCC(F)F;MXXHFBRGKAWJOC-UHFFFAOYSA-N;134.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153188;MM153188;C=CC=CCNC(C)C;QTUCKLPJNXTZJI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153189;MM153189;CC(C)NCC=CC=O;SCBGZSQLOLNXFK-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153190;MM153190;CC(C)NCC=CC#N;FRLUTXVBQMWYEF-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153191;MM153191;C=CC=CCOC(C)C;SIZLILJBVLJMFZ-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153192;MM153192;CC(C)OCC=CC#N;FAOUFXIUYPTRCO-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153193;MM153193;CC(C)ON=CNC=O;UPVRRVUDKOXBSB-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153194;MM153194;C=CC=CCCN(C)C;CYSOGFHJPSZCED-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153195;MM153195;CN(C)CCC=CC=O;YJSQCSXVAKJWNU-UHFFFAOYSA-N;127.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153196;MM153196;C=NN=CCCN(C)C;ZSYIMSWFMAAURW-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153197;MM153197;C#CC=CCCC(C)C;AUMDFLASRFEOMH-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153198;MM153198;C#CC=CCCC(C)N;QMFMTFPMLICXGZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153199;MM153199;C=CC(C)NC(CC)=NO;IZAUFZSPITXJLV-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153200;MM153200;C#CC=CCCC(C)F;RFGYZISSOWROFN-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153201;MM153201;C#CC=CCCC(F)F;WQVXFOKHKZHXLD-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153202;MM153202;C#CC=NNCC(C)F;MUVDLCIZAFBNFH-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153203;MM153203;C#CC=COCC(C)C;DXWAVPWXEKAZKA-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153204;MM153204;C#CC=COCC(C)N;WRLDEKISUOCPLY-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153205;MM153205;C#CC=COCC(C)O;CCDLLFMRUPXDGU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153206;MM153206;C#CC=COCC(C)F;RBQQTCHUOYRUSX-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153207;MM153207;C#CC=COCC(F)F;FPSGIRMGNZIQKD-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153208;MM153208;C#CC=NOCC(C)C;WLRKGGHXXCMEAA-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153209;MM153209;C#CC=NOCC(C)F;JVFIHSHIZYKCMK-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153210;MM153210;C#CC=NOCC(F)F;ITXXYIDZCPFNTQ-UHFFFAOYSA-N;133.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153211;MM153211;C#CC=CCNC(C)C;IEXOMDDKROESEW-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153212;MM153212;C#CC=CCOC(C)C;VFNIEZQCBDYFIS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153213;MM153213;C#CC=CCCN(C)C;OYHQKABGGRXERU-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153214;MM153214;C=C(C)CCC=CCC;MLBKUPGJFUIINM-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153215;MM153215;C=C(C)CCC=CCN;BAXIHKLVVFWHPM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153216;MM153216;CCC=CCCC(C)=O;NBFKNCBRFJKDDR-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153217;MM153217;CCC=CCCC(=N)N;FHSCPDSYGCTTOJ-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153218;MM153218;N=C(N)CCC=CCN;UVAARMOAIHATCN-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153219;MM153219;N=C(N)CCC=CCO;BFDZNHOIQKFXTC-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153220;MM153220;C=CC(C=CC(C)C)=NO;DCRBHXMSJYFZRV-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153221;MM153221;NCC=CCCC(N)=O;UVRBXHLBFOTOEZ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153222;MM153222;NC(=O)CCC=CCO;NCHIWKKPAHIFFU-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153223;MM153223;CCC=CCCC(=O)O;KFXPOIKSDYRVKS-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153224;MM153224;C=C(F)CCC=CCN;LSZCOSXPJGZSLQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153225;MM153225;C=C(C)CCC=COC;AVXDENUMBUSLCD-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153226;MM153226;COC=CCCC(C)=O;MVJZHMMPKNSPJQ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153227;MM153227;N#CC(CC1CC1F)=NO;FKEIUNXKDWGRNH-UHFFFAOYSA-N;142.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153228;MM153228;CC(=O)NNC1(CF)CC1;RRZOYYUZLXBXIZ-UHFFFAOYSA-N;146.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153229;MM153229;C=C(C)CCC=NOC;FIKKQLAIENAUTR-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153230;MM153230;CON=CCCC(=N)N;KZTDOMAJOQHAHT-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153231;MM153231;C#CCOC(=NO)C(C)F;LOVCUYYFFAGILE-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153232;MM153232;C=C(C)CNC=NCC;MFERWWQSUJDOAI-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153233;MM153233;CCN=CNCC(C)=O;ILTWUFKWJXUWHU-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153234;MM153234;CNN=CNCC(=N)N;YUFUPQFCXXIPNL-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153235;MM153235;CON=CNCC(=N)N;MOSSMFDRFBLLRG-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153236;MM153236;NN=CCN(N)C(=O)NN;UMOXWEWPQJKJQG-UHFFFAOYSA-N;146.15;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153237;MM153237;N#CC(C=CC=O)=NO;LGXJOJIJJZRXFA-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153238;MM153238;C=C(C)CNN=CCC;NYHVGYUNMWBSIB-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153239;MM153239;CCC=NNCC(=N)N;NVUOWIUMEFAMFK-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153240;MM153240;N=C(N)CNN=CCO;VPXJYBMTPQFOLC-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153241;MM153241;N=C(N)CNN=CCF;VSENUDIAXOMVON-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153242;MM153242;CCC=NN(C)C(=O)NN;BYNISJZIFCONML-UHFFFAOYSA-N;144.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153243;MM153243;NN=c1cc(F)[nH]c(=O)o1;FQVBNTDSCRSXGP-UHFFFAOYSA-N;145.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153244;MM153244;COC=NNCC(=N)N;OGAHKLPMLYLALO-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153245;MM153245;NNC(=O)COCCCO;FLVMTZHCHAWRHC-UHFFFAOYSA-N;148.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153246;MM153246;COn1ncc(O)c1C;YFHIVHLWIFPJBH-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153247;MM153247;CCC=COCC(=N)N;UMASEYGEMUZNJQ-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153248;MM153248;N=C(N)COC=CCN;PTAZRJKGBVNLER-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153249;MM153249;N=C(N)COC=CCO;XDYMTBDISXMLLM-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153250;MM153250;N=C(N)COC=CCF;BYEVTBRTNKVUKC-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153251;MM153251;CCC=COCC(N)=O;BBAPWFOVBBRRDD-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153252;MM153252;NC(=O)COC=CCO;CSSOEDYIUYUZPL-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153253;MM153253;NC(=O)COC=CCF;BIQDMZWXWCMGQH-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153254;MM153254;NN=c1[nH]c(=O)c(N)no1;PPJIWKSEEJUJSS-UHFFFAOYSA-N;143.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153255;MM153255;C=C(F)COC=CCO;HRQGDDVVEDVUCB-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153256;MM153256;C=C(F)COC=COC;FYBZZHPNXMOEQC-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153257;MM153257;CNN=COCC(=N)N;KWCDYLUONNBMJN-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153258;MM153258;COCCOCC(=O)NN;HLLFHVHRBLXBHU-UHFFFAOYSA-N;148.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153259;MM153259;N=c1n(N)ncc(=O)n1O;ASQZQQSLPXOBHS-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153260;MM153260;C=C(C)COC=NOC;YEYZYKJWRIOBNP-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153261;MM153261;CCOC(=CN)C(=O)NN;YBAZFCIUHVDYII-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153262;MM153262;C=C(F)COC=NOC;CIWSJZIQKYUIEZ-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153263;MM153263;C=C(C)CON=CCC;RUBPWPLCUOFUEF-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153264;MM153264;C=C(C)CON=CCN;OSPUORJEAGQMKE-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153265;MM153265;C#CC(O)C(C=NN)=NN;RMZYWVYRHZVURH-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153266;MM153266;C#CC=C(CO)C(=O)NN;IGKGBOJEWINRLW-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153267;MM153267;N=C(N)CON=CCN;FQPWVLAADHWSKJ-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153268;MM153268;N=C(N)CON=CCO;QOLVZZAVWOLECW-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153269;MM153269;NCC=NOCC(N)=O;VEJJFTNZYXHTBU-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153270;MM153270;C#Cc1nc(C(=C)C)c[nH]1;YRBKWYGRAANURV-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153271;MM153271;CC(F)(CO)C(F)C=NO;UBGKMBIXLCIPML-UHFFFAOYSA-N;153.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153272;MM153272;C=C(F)CON=CCC;QKSOKAYCJWTCBZ-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153273;MM153273;C=C(C)CON=COC;BZABSSDFTFKGQM-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153274;MM153274;C=CC(=NO)NNC1CC1;VGOFKELZSGBTGJ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153275;MM153275;C=C(F)CON=COC;BFESFBVHZVTIFN-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153276;MM153276;CCC=CCNC(C)=N;SFPAVSVGSGJBSR-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153277;MM153277;CCCC(=NO)NC;AHBPRXMWQSMZJA-UHFFFAOYSA-N;116.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153278;MM153278;N=C(N)NCC=CCO;VUASTGUIPGFBSM-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153279;MM153279;CCC=CCNC(N)=O;FOGROUARZXUBHM-UHFFFAOYSA-N;128.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153280;MM153280;NC(=O)NCC=CCO;MYLCQEWKFCXJCN-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153281;MM153281;COC=CCNC(C)=N;YQLBRPSTZCNXEK-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153282;MM153282;COC=CCNC(=N)N;JHEVTRQCAYRQRE-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153283;MM153283;COC=CCNC(N)=O;DOIXRJCWVWOTDW-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153284;MM153284;CNNC(=O)N(C)C=N;KEXBBDLVOKNIKN-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153285;MM153285;C#CC1(O)CC1ON=C;ZGGXCWOLTFGVOU-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153286;MM153286;CON=CCNC(=N)N;PAUGTWFURJSRCY-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153287;MM153287;CC=CC(=NO)N(C)N;JGLMMUYWBTTWKP-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153288;MM153288;CCN=CNNC(C)=O;IIFXCHSUHRFTIA-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153289;MM153289;CNN=CNNC(=N)N;ODPXYNRHTJZXFV-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153290;MM153290;CCC(CF)C(=O)NN;CMGZAACKQGOCAV-UHFFFAOYSA-N;134.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153291;MM153291;CON=CNNC(=N)N;FOJOMHGQMJTDID-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153292;MM153292;C#CC(=CC)C(=O)NN;IVRZDJJDLZIRIU-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153293;MM153293;CC(=O)OCC=CCF;GTOOKTCZQPDHLW-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153294;MM153294;CCC=CCOC(=N)N;PGJABJHWFDRUME-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153295;MM153295;N=C(N)OCC=CCO;REHJWJCHCKYADA-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153296;MM153296;CCC=CCOC(N)=O;POPBHIKPTAIJLG-UHFFFAOYSA-N;129.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153297;MM153297;NC(=O)OCC=CCO;XSIOUFRMCDIIRB-UHFFFAOYSA-N;131.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153298;MM153298;COC=CCOC(C)=O;DKVKUDPLONKUMS-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153299;MM153299;COC=CCOC(=N)N;ZKNNDQTUMBWDNO-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153300;MM153300;C=C(C)OCC=NNC;VBZMWPIZGPSHNE-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153301;MM153301;CNN=CCOC(=N)N;QNOGIECZPWIJKY-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153302;MM153302;C=CC(C=C)NC=NO;CGPVFPDPOHLSHJ-UHFFFAOYSA-N;126.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153303;MM153303;C#CC1(NNC=O)CC1;GMMMZZMPXICYCS-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153304;MM153304;C=NNCCC(C)(O)C#N;XIYPFHOMSITCEJ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153305;MM153305;CC(O)(C=O)CNNC=O;IJPCNWRQVDYZRL-UHFFFAOYSA-N;146.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153306;MM153306;C=CC=CCCC(=C)C;CTZNJQRMXLMHJH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153307;MM153307;C=C(C)CCC=CC=O;XEFZHLMCVVVTPL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153308;MM153308;C=C(C)CCC=CC#N;ORAJRENAALJDCF-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153309;MM153309;C=CC=CCCC(C)=O;BZHCEFYOACGBGI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153310;MM153310;CNNC(=O)NCC(N)=O;ANEHWVWTAFXCMV-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153311;MM153311;C=CC=CCCC(=O)O;HHLIJJJAKAFXJB-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153312;MM153312;N#CC=CCCC(=O)O;BYXFWNLDUPLOSE-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153313;MM153313;C=CC=CCCC(=C)F;GUXQFEMNSWADRJ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153314;MM153314;C=C(F)CCC=CC=O;WRROKLSOCJRSFP-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153315;MM153315;C=C(F)CCC=CC#N;QHKLDSCLJIGQGS-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153316;MM153316;C=NNC(C)=NC(C)C#N;FCTSBFBWWDBZLE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153317;MM153317;C=NN=CCCC(=C)F;ZLPBWUFKZZVLGH-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153318;MM153318;C=C(C)CNC=CC#N;ICZQEHAMWNBSIM-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153319;MM153319;CC(=O)CNC=CC=O;MEMWSMYMGIBBBX-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153320;MM153320;N#CC=CNCC(=N)N;BFKLEHMDCFMEBN-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153321;MM153321;NC(=O)CNC=CC=O;UKLDCSVUTUSVMN-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153322;MM153322;CN1CC1CC(C)(O)C#N;SWZWKQMUOZVHHO-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153323;MM153323;CCn1[nH]c(=N)n(O)c1=O;MZXKNFBRIVZCLT-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153324;MM153324;C=C(F)CNC=CC#N;AOWLQXJHAZCYHM-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153325;MM153325;CC(=O)CN=CNC=O;GTLKSSISSFGCGF-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153326;MM153326;C=C(F)CN=CNC=O;PPVWDTVFEALQBU-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153327;MM153327;Nc1noc(O)c1N;LHNBLCQACVZNIT-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153328;MM153328;NC(=O)NNCC=CC=O;OGMXUFSRTADADW-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153329;MM153329;CCNN=CC(O)C(C)=O;JRCTUQPYJIDKQI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153330;MM153330;N=C(N)CNN=CC=O;QZZZNTSSQUWGLV-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153331;MM153331;C=NOCC(O)(CO)CO;YPVLHQMNBAOSGX-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153332;MM153332;C#CC(O)(CO)CC=NN;NTEKVNXGEZSYBE-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153333;MM153333;CNn1ccc(O)n1;VRNFAEQIFSJVTA-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153334;MM153334;C=CC=NNCC(=C)F;WRXCHOAXRVDALB-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153335;MM153335;C#CC1(C)NC1C(=O)NN;JLNIJXKFUHDQHT-UHFFFAOYSA-N;139.16;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153336;MM153336;C=C(F)CNN=CC#N;UAWMIIUOAQSMNX-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153337;MM153337;C=CC=COCC(=C)C;WTESKDVKUOWCOL-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153338;MM153338;C=C(C)COC=CC=O;OSLVIHWQRMSLPY-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153339;MM153339;C=C(C)COC=CC#N;PLFVTOBXESIXLK-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153340;MM153340;CC(=O)COC=CC#N;JYYFZISGXSVCBS-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153341;MM153341;C=CC=COCC(=N)N;MSKCDKVCOZZIFV-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153342;MM153342;N=C(N)COC=CC=O;WLGCAUWPNVULNK-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153343;MM153343;C=CC=COCC(N)=O;OIWXNTSHKDGMKE-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153344;MM153344;Nn1nc(CO)cc1O;JYJBAGBKFWGGTC-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153345;MM153345;C=CC=COCC(=C)F;GWWVUBJPBWSMQD-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153346;MM153346;C=C(F)COC=CC=O;FLFYZSKTLTZYLN-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153347;MM153347;C=C(F)COC=CC#N;UCDCPZXZTZHYKL-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153348;MM153348;C=NN=COCC(=C)F;YPPBKVVXGHIERH-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153349;MM153349;C=CC=NOCC(=C)C;FIXKSTCIPLEQMQ-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153350;MM153350;C=C(C)CNC(CC)=NO;HUWGERZFBFFVSU-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153351;MM153351;C=CC=NOCC(=N)N;BNRUZIPSSIRZHK-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153352;MM153352;N=C(N)CON=CC=O;XHSUHFWJLKEDNM-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153353;MM153353;N#CC=NOCC(=N)N;DYVWMKVKXOQJOQ-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153354;MM153354;CCC(=O)N(C)C(=O)NN;GWOJUJHATONSOC-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153355;MM153355;C#CCNN(C)C(=O)NN;FIGRKYNXLSFNAB-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153356;MM153356;N#CC=NOCC(N)=O;JLYFZIMLQLGRBI-UHFFFAOYSA-N;127.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153357;MM153357;C=CC=NOCC(=C)F;KLQCEWDURUWCRT-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153358;MM153358;C=C(F)CON=CC=O;NEISDJRZQMCPJJ-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153359;MM153359;C=C(F)CON=CC#N;HLWIARXZRMXRJT-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153360;MM153360;CC(=N)NCC=CC=O;NNHKZPINPSOZEJ-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153361;MM153361;C=CC=CCNC(C)=O;WJDIFSCXJJEGKO-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153362;MM153362;N=C(N)NCC=CC=O;PQWTYSRHKDTPHR-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153363;MM153363;C=NN=CCNC(=N)N;UKJMAKLERUTBRL-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153364;MM153364;CC(=N)NNC=CC=O;RUZNOOLRNGEZSV-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153365;MM153365;CC(=O)NNC=CC=O;QABAEAIFCSWTKY-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153366;MM153366;CC(=O)NNC=CC#N;DWWHVBCIOGAWTA-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153367;MM153367;N#CC=CNNC(=N)N;ABZYGDHESTWLNC-UHFFFAOYSA-N;125.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153368;MM153368;NC(=O)NNC=CC=O;NBIASCXVPGTBGO-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153369;MM153369;N#CC=CNNC(N)=O;ZJBVSILFUAOVAA-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153370;MM153370;CC(=N)NN=CNC=N;JLVVODSHZUOWPB-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153371;MM153371;CC(=O)NN=CNC=O;LUDBTVRQVIROPZ-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153372;MM153372;N=CNC=NNC(=N)N;IKTGKQUSOSPHBN-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153373;MM153373;N=C(N)NN=CNC=O;LVGFXNVGJCYXNT-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153374;MM153374;N=CNC=NNC(N)=O;NYXGSFOODQDCLD-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153375;MM153375;NC(=O)NN=CNC=O;NAMUHLUWKCDINS-UHFFFAOYSA-N;130.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153376;MM153376;C=NN=CONC(=N)N;QQVHKISGWHFUTG-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153377;MM153377;C=CC=CCOC(=C)C;OAJICJKKUHPTGU-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153378;MM153378;C=CC=CCOC(C)=O;RAVCCLFVHXWZAM-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153379;MM153379;CC(=O)OCC=CC=O;PGHQVWCJFUMFLW-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153380;MM153380;CC(=O)OCC=CC#N;GEDSIXCLPQPAAC-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153381;MM153381;N#CC=CCOC(=N)N;UYFWSSRMFQQROH-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153382;MM153382;NC(=O)OCC=CC=O;ZNUBAKIYMZBVCK-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153383;MM153383;C=NN=CCOC(=C)C;WTPWILPSZWEMNT-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153384;MM153384;CCC(=O)C(O)C=NNC;PHYPZHBTNMPKNS-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153385;MM153385;C=NN=CCOC(=N)N;FQTYQFVUEIECAO-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153386;MM153386;C=NN=CCOC(N)=O;SLSUJPHUGKPICE-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153387;MM153387;NC(=O)ON=CNC=O;VYWCEGJLVHOCCI-UHFFFAOYSA-N;131.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153388;MM153388;C#CC=CCCC(=C)C;PRWFXBISXSWVMT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153389;MM153389;C#CC=CCCC(C)=O;PYLNVVNSWTXXMT-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153390;MM153390;C#CC=CCCC(=N)N;BENPGYJJXMFSSS-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153391;MM153391;C#CC=CCCC(=O)O;YBHANHMRQCTFAO-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153392;MM153392;C#CC=CCCC(=C)F;WPOMJLQXPYMVQU-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153393;MM153393;C#CC=NNCC(=N)N;TUFUQTHWBTYAIM-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153394;MM153394;CC#CCNNC(=O)OC;ZCPNRRLKRNCVTC-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153395;MM153395;N=Cn1[nH]cc(N)c1=O;XMNPRANXZZOJJF-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153396;MM153396;C#CC=NNCC(=C)F;UGRLDAVCVKDOGZ-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153397;MM153397;C#CC=COCC(=C)C;VOXAFSSMAYCBIU-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153398;MM153398;C#CC=COCC(N)=O;DYSZMYIBQMJNFF-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153399;MM153399;C#CC=COCC(=C)F;VMTXTGRYCDOEFW-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153400;MM153400;C#CC=NOCC(=C)C;RBOSAACKGVJMCC-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153401;MM153401;COCC#CCC(=O)NN;RFXYMZALZAVYFC-UHFFFAOYSA-N;142.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153402;MM153402;C#CC=CCOC(=C)C;PVCCYKJPZOCPJS-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153403;MM153403;C#CC=CCOC(C)=O;OWJIKOAHRGKVIN-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153404;MM153404;C#CC=CCOC(N)=O;RTCPQVOWWSBGEP-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153405;MM153405;CCC#CCCC(C)C;ZDXUMWBWHSCWBK-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153406;MM153406;CC(C)CCC#CCN;DNOSPSKZWFKMJC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153407;MM153407;CC(C)CCC#CCO;MVBRYNZPDUGVCH-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153408;MM153408;CC(C)CCC#CCF;VLANLOLYUGPXBI-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153409;MM153409;CCC#CCCC(C)N;BMJSDJYUVYLYLU-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153410;MM153410;CC(N)CCC#CCF;LWXZKVMCGOUBBD-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153411;MM153411;C#CC1(O)CC1ON=CC;ZUPCVUJRFFIFNV-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153412;MM153412;C#Cc1cc(O)n(N)c1N;BFESJJBUHAAHHL-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153413;MM153413;CCC#CCCC(C)F;IIEISAXZAOMHNY-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153414;MM153414;CC(F)CCC#CCN;FDQKEVOBQIQLJD-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153415;MM153415;CC(F)CCC#CCO;LRDWQNHBNIDYCY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153416;MM153416;CC(F)CCC#CCF;YJOCRKHBHRETOX-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153417;MM153417;CCC#CCCC(F)F;AGMUOKWODMKBLU-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153418;MM153418;NCC#CCCC(F)F;BZQPIJPNQSHAKP-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153419;MM153419;CCC#CCNC(C)C;QBXAVXPJFDWGKG-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153420;MM153420;CC(C)NCC#CCF;DLKAXSRPSQGBPZ-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153421;MM153421;CCC#CCOC(C)C;HPIMIHBDXUVPFG-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153422;MM153422;CC(C)OCC#CCN;UUXMXPGFAAUCEZ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153423;MM153423;CC(C)OCC#CCO;FPNAZNJWODRJLA-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153424;MM153424;CC(C)OCC#CCF;OWNIXBWNGYQWET-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153425;MM153425;CCC#CCCN(C)C;MHALSPOJCMHFTL-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153426;MM153426;CN(C)CCC#CCF;HXGZSYXEUVYPJA-UHFFFAOYSA-N;129.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153427;MM153427;C=CC#CCCC(C)C;QYUKQJBBEHGJPT-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153428;MM153428;CC(C)CCC#CC=O;ZOVJUKQRDGRTGE-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153429;MM153429;CC(C)CCC#CC#N;GZUDTVLDSOFFNJ-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153430;MM153430;C=CC#CCCC(C)N;YGJYUYRKBJXWRX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153431;MM153431;CC=CCNC(CC)=NO;DLYGBHHMACXKTH-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153432;MM153432;C#CCc1nc(OC)c[nH]1;QAIRNXHEEXXGQB-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153433;MM153433;C=CC#CCCC(C)F;KDNHEDJNJRRNCN-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153434;MM153434;CC(F)CCC#CC=O;FDVRTYKCSOFESE-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153435;MM153435;CC(F)CCC#CC#N;BPUQWZQWOSSKGY-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153436;MM153436;C=CC#CCCC(F)F;QDIMDUAWIXYHNH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153437;MM153437;N#CC#CCCC(F)F;KSCINZLABUMDNX-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153438;MM153438;C=CC#CCNC(C)C;WOUYQCKKNQITPZ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153439;MM153439;CC(C)NCC#CC=O;NXTDZJGVNOJHPO-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153440;MM153440;C=CC#CCOC(C)C;IDFYRQJVTSGDNE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153441;MM153441;CC(C)OCC#CC=O;RPEDAWPZOHBKMH-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153442;MM153442;CC(C)OCC#CC#N;FYFMKNYXIAEQPW-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153443;MM153443;C=CC#CCCN(C)C;HDRPIJCOROJTJK-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153444;MM153444;CN(C)CCC#CC#N;ZXYFELFTPGXTPW-UHFFFAOYSA-N;122.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153445;MM153445;C#CC#CCCC(C)C;ZWLRCOZNSYCESC-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153446;MM153446;C#CC#CCCC(C)N;CHIPOCANDZNGAZ-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153447;MM153447;COc1c[nH]c(N=O)c1C;KHMLGOSUJYEWTH-UHFFFAOYSA-N;140.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153448;MM153448;C#CC#CCCC(C)F;CELJRJVJGZGLTF-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153449;MM153449;C#CC#CCCC(F)F;KNPHVNAQASIRLV-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153450;MM153450;C#CC#CCNC(C)C;AQMGXMGLVNGQFL-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153451;MM153451;C#CC#CCOC(C)C;KLUIJYXJYAHLCA-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153452;MM153452;C#CC#CCCN(C)C;NSIFREQIEKUQIM-UHFFFAOYSA-N;121.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153453;MM153453;C=C(C)CCC#CCC;XOLSONRVPPEIJJ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153454;MM153454;C=C(C)CCC#CCN;LBWIUQNSTMFOBT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153455;MM153455;C=C(C)CCC#CCO;JCYWEMSLIOJSNI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153456;MM153456;C=C(C)CCC#CCF;DFTJIEYWXDFPNR-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153457;MM153457;CCC#CCCC(C)=O;DVENPIWPNQLJHW-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153458;MM153458;CC(=O)CCC#CCF;GUZBPIFGZZVLPT-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153459;MM153459;CCC#CCCC(=N)N;QPQYTHWMRDLUBN-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153460;MM153460;N=C(N)CCC#CCN;FSCIWRIEZPQULF-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153461;MM153461;N=C(N)CCC#CCF;MAYGVCATWKTAOX-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153462;MM153462;CCC#CCCC(N)=O;ZDOUGVWRYGECJT-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153463;MM153463;CCC#CCCC(=O)O;RMARLPSMJOHGLI-UHFFFAOYSA-N;126.16;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153464;MM153464;O=C(O)CCC#CCF;UYFLRNGOBMBWFP-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153465;MM153465;C=C(F)CCC#CCC;DXGRFHBDGHWTRR-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153466;MM153466;C=C(F)CCC#CCN;OFWAPHUGEXNZCW-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153467;MM153467;C=C(F)CCC#CCF;VGZPPTPFXXXYKR-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153468;MM153468;CCC#CCNC(C)=N;DMCCLOJQXXWGDP-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153469;MM153469;CCC#CCNC(C)=O;QJXXSYNHSCSNIM-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153470;MM153470;N=C(N)NCC#CCN;ZYWMVVXIVVYBMT-UHFFFAOYSA-N;126.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153471;MM153471;N=C(N)NCC#CCO;QBNZRSYZSPYNCL-UHFFFAOYSA-N;127.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153472;MM153472;N=C(N)NCC#CCF;QATOFKCTXUGZLX-UHFFFAOYSA-N;129.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153473;MM153473;NCC#CCNC(N)=O;ONTPWWFNHHIWQE-UHFFFAOYSA-N;127.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153474;MM153474;NC(=O)NCC#CCO;WUXRRRVOHVINEG-UHFFFAOYSA-N;128.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153475;MM153475;NC(=O)NCC#CCF;HTXLISXXTJSBJU-UHFFFAOYSA-N;130.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153476;MM153476;C=C(C)OCC#CCC;GHHHITJQWTYNOU-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153477;MM153477;C=C(C)OCC#CCN;NFDDCFVOAQOYDY-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153478;MM153478;C=C(C)OCC#CCO;NEZJGGYDNPQPIM-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153479;MM153479;C=C(C)OCC#CCF;GQSGFTNWAWPBQK-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153480;MM153480;CCC#CCOC(C)=O;DCLAMQJBYLXERL-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153481;MM153481;CC(=O)OCC#CCN;ABALYCHEJYLXAU-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153482;MM153482;CC(=O)OCC#CCO;YBLUPSBMWKSDHM-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153483;MM153483;CC(=O)OCC#CCF;YOXSFGCTLDERSX-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153484;MM153484;CCC#CCOC(=N)N;GORSKRIHJCOMJM-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153485;MM153485;N=C(N)OCC#CCN;YVSKUSQVADIBME-UHFFFAOYSA-N;127.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153486;MM153486;N=C(N)OCC#CCO;IPGBLRDXAPHGFY-UHFFFAOYSA-N;128.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153487;MM153487;CCC#CCOC(N)=O;AMTPAPYPUPXCQK-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153488;MM153488;NCC#CCOC(N)=O;VMDDRMRFBIFLRP-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153489;MM153489;NC(=O)OCC#CCO;KKTHKTQIFWSVFZ-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153490;MM153490;NC(=O)OCC#CCF;BLLLGQGCMRGGHN-UHFFFAOYSA-N;131.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153491;MM153491;C=CC#CCCC(=C)C;BYMCWUJGPKFWHY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153492;MM153492;C=C(C)CCC#CC=O;TXAYAQSAKIZWLA-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153493;MM153493;C=C(C)CCC#CC#N;YNEGXMPEXZQXRZ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153494;MM153494;C=CC#CCCC(C)=O;ZOLHXVQJQDUHFJ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153495;MM153495;CC(=O)CCC#CC=O;DNSINWXVWZEYAF-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153496;MM153496;CC(=O)CCC#CC#N;CHGCBWSOXJRXQD-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153497;MM153497;C=CC#CCCC(=N)N;OGLUKJDQFOPSPR-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153498;MM153498;C=CC#CCCC(=O)O;KDHNCHWWBOAWCY-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153499;MM153499;C=CC#CCCC(=C)F;NFQZSWAJSOUEDW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153500;MM153500;C=C(F)CCC#CC=O;BYRNZVRCKABIGW-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153501;MM153501;C=C(F)CCC#CC#N;HNLRTKFSHIKNIZ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153502;MM153502;C=CC#CCNC(C)=N;CDDKJKFZRPQVBK-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153503;MM153503;CC(=N)NCC#CC#N;BQWPSTVSSILSNE-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153504;MM153504;CC(=O)NCC#CC=O;AWXOURKVSWZINR-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153505;MM153505;N#CC#CCNC(=N)N;PMLANPRPBZIZTQ-UHFFFAOYSA-N;122.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153506;MM153506;C=CC#CCNC(N)=O;LAEUOJMWGFXREN-UHFFFAOYSA-N;124.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153507;MM153507;NC(=O)NCC#CC=O;SCFZUYYRXLEAQA-UHFFFAOYSA-N;126.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153508;MM153508;N#CC#CCNC(N)=O;CBUCTFJQSCYWAW-UHFFFAOYSA-N;123.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153509;MM153509;C=CC#CCOC(=C)C;ZMTJCDVCAYCXNS-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153510;MM153510;C=C(C)OCC#CC=O;VFYHHJROSPCRRZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153511;MM153511;C=C(C)OCC#CC#N;DDTZGIQYZKHPNA-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153512;MM153512;C=CC#CCOC(C)=O;VUUAPKZQMYYQIB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153513;MM153513;CC(=O)OCC#CC=O;AJTFUSMZVNPVCL-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153514;MM153514;CC(=O)OCC#CC#N;LCHGUDRKELFXKQ-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153515;MM153515;N=C(N)OCC#CC=O;GDZDCXHTRMBCMW-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153516;MM153516;C#CC#CCCC(=C)C;TWOMAKHBTPWOPA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153517;MM153517;C#CC#CCCC(C)=O;VUUFUOWXPKCAOH-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153518;MM153518;C#CC#CCCC(=N)N;RYNIHAGSBCUEMB-UHFFFAOYSA-N;120.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153519;MM153519;C#CC#CCCC(=O)O;FXBYBACGKUGVSV-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153520;MM153520;C#CC#CCCC(=C)F;HKOKPFQHWZKOLD-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153521;MM153521;C#CC#CCNC(C)=N;WVXOCNPMYYXYHN-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153522;MM153522;C#CC#CCOC(=C)C;MZXTUQFVWUKCIA-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153523;MM153523;C#CC#CCOC(C)=O;DFXHYSICBXKNLU-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153524;MM153524;C#CC#CCOC(=N)N;BKNBHCIWDVJUGF-UHFFFAOYSA-N;122.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153525;MM153525;CC(C)CC=CCCN;WVOUWSQOXILUJI-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153526;MM153526;CC(N)CC=CCCN;ZTDCJEXDWIGLIF-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153527;MM153527;CC(N)CC=CCCO;IFJLZFPNWPQVLN-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153528;MM153528;CC(N)CC=CCCF;FPSZWUPSWFRRJS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153529;MM153529;CC(O)CC=CCCN;ZIHWXFRBEYUORC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153530;MM153530;C=NOCCC#CCC#N;QOEKCIXVPCYWJI-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153531;MM153531;CN(C)C=NO;ZNBIUEXGTQPXKI-UHFFFAOYSA-N;88.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153532;MM153532;CCCC=CCC(C)F;SJIUVVLLEUVXFX-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153533;MM153533;CC(F)CC=CCCN;ZXNSLBCEZXHNCZ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153534;MM153534;CC(F)CC=CCCO;HIRDZUDDBFUBHT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153535;MM153535;NCCC=CCC(F)F;OJNIXCXGXRKXNW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153536;MM153536;FCCC=CCC(F)F;RKQMOYQQIALUPL-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153537;MM153537;CNCC=CCC(C)C;HLCBBCOFJRCWCM-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153538;MM153538;CNCC=CCC(C)N;NGGLOWCEHXICLR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153539;MM153539;CNCC=CCC(F)F;BOSACSLRVKFCDE-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153540;MM153540;COCC=CCC(C)N;XTKHCRZHNJBWBF-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153541;MM153541;CCOC=CCC(C)C;PEGWCMWUBAGRKQ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153542;MM153542;CCOC=CCC(F)F;JATUTGNHPBBSJW-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153543;MM153543;CCNN=CCC(F)F;BOVWJNLVUXNGLH-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153544;MM153544;CCON=CCC(C)C;MLOXGRHBHNMSCY-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153545;MM153545;CCON=CCC(C)N;XLKVQVMYCIYCIF-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153546;MM153546;CC(C)NNC(=O)NN;HEYWQRAGRHDAJW-UHFFFAOYSA-N;132.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153547;MM153547;CCON=CCC(C)F;VDRIHOOGNQOMDI-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153548;MM153548;CCON=CCC(F)F;JUAMFEAWCJALJY-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153549;MM153549;CCCN=CNC(C)C;FDBMYSFBSOYVEP-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153550;MM153550;CC(C)N=CNCCN;APEMFOPUVDVEJP-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153551;MM153551;CCCC=NNC(C)C;ZXQHBMLXQULDOR-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153552;MM153552;CC(C)NN=CCCF;JYZLYDIKGVQZEV-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153553;MM153553;NC(=O)NNCCC=O;IVMJPQLCQPSMLB-UHFFFAOYSA-N;131.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153554;MM153554;CC(C)OC=CCCN;IBBYQTUZMOURPO-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153555;MM153555;C#CC#CC(O)C=NN;WQJRXWSGIWVKSR-UHFFFAOYSA-N;122.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153556;MM153556;CCON=COC(C)C;NONQJKHBHVMEPC-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153557;MM153557;CCCC=NOC(C)C;LTZZVUJIJWXVMH-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153558;MM153558;CC(C)ON=CCCN;HMROETAMUNIRGJ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153559;MM153559;CC(C)ON=CCCF;RQKFZUHTXGQHAJ-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153560;MM153560;CCCC=CCN(C)C;JZDHFGKCOBCFDQ-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153561;MM153561;CN(C)CC=CCCO;XXFRLRCKQHBKOT-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153562;MM153562;CNCC=CCN(C)C;DISRZRNVQHCJIW-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153563;MM153563;COCC=CCN(C)C;OSADLRJTPFTUOX-UHFFFAOYSA-N;129.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153564;MM153564;CCOC=CCN(C)C;DKEUVYLDGMMDOH-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153565;MM153565;CCCN=CNN(C)C;DGQCWNGDVIBPOL-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153566;MM153566;CCON=CNN(C)C;IOYOXSNZDVUYNE-UHFFFAOYSA-N;131.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153567;MM153567;C=CCC=CCC(C)C;ITJIPRXRZZZZEX-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153568;MM153568;CC(C)CC=CCC=O;CQHFWSUWWMFWRO-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153569;MM153569;CC(C)CC=CCC#N;WTBMZPGKIMLIAB-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153570;MM153570;C#CC(O)C(C#N)NC;KWWVIZPCZAQSLJ-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153571;MM153571;CC(C)(C)C(O)C(=O)NN;XYQQTBYXAAEHGW-UHFFFAOYSA-N;146.19;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153572;MM153572;CC(F)CC=CCC=O;ZDCKWEMHPMFTLS-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153573;MM153573;CC(F)CC=CCC#N;QROSLAKBLXRHGB-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153574;MM153574;C=CCC=CCC(F)F;QDOBMYYNZWQNMX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153575;MM153575;CC(C)CC=CNC=N;WZLLLKFKAZBHNZ-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153576;MM153576;CC(C)CC=CNC=O;IMVZOTBGTARCGQ-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153577;MM153577;CC(N)CC=CNC=N;ZQAQNVMNCMFSIN-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153578;MM153578;CC(N)CC=CNC=O;HNFJBDYWCZEKNI-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153579;MM153579;CC(O)CC=CNC=O;KWANLUDTFSLLFO-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153580;MM153580;CC(F)CC=CNC=N;RUIIJIAOEJOGQB-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153581;MM153581;CC(F)CC=CNC=O;MGKFSWSPOAJRTA-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153582;MM153582;N=CNC=CCC(F)F;GYIISJXCYRLNOV-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153583;MM153583;C=COC=CCC(C)C;OPQQDLYILXGPMI-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153584;MM153584;C=COC=CCC(C)N;FKHIRXHKWREDGP-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153585;MM153585;O=COC=CCC(F)F;FWZUGCHZPDKTOA-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153586;MM153586;C#CC(O)C(C)(C)ON=C;SJCWEZUUKRLWCT-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153587;MM153587;CC(N)CC=NNC=N;FBKUJYWEPILPHW-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153588;MM153588;CC(N)CC=NNC=O;PZXWADDXUQDBOW-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153589;MM153589;CC(O)CC=NNC=O;ZVDNIRWOSMSYKD-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153590;MM153590;CC(F)CC=NNC=O;PHCRKCQHIWINQQ-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153591;MM153591;CC(C)CC=NOC=O;WUMKBFQCPMXROU-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153592;MM153592;CC(N)CC=NOC=O;OYVGJNZSOWHVFY-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153593;MM153593;C=CNC=NCC(C)C;NDEGBRHXSWPJNZ-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153594;MM153594;C=CNC=NCC(C)N;GEVITNWPTXGGGV-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153595;MM153595;C=CNC=NCC(C)O;PMWBPXADYKERKG-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153596;MM153596;C=CNC=NCC(C)F;ZWHZCPIWQPPKCG-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153597;MM153597;C=CCNC=NC(C)C;NWXMNTOJQIHENB-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153598;MM153598;C=CCC=NNC(C)C;HTUZPXAAPMORAM-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153599;MM153599;C=NOC(=O)NC=C(C)C;NEWXOZJLYPLNDH-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153600;MM153600;CC(C)OC=CCC=O;SGDGGTAVIUVVSJ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153601;MM153601;CC(C)OC=CCC#N;ROYPSUBMXYKNQG-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153602;MM153602;CC(C)OC=CNC=N;JGKSDMQTOCENHW-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153603;MM153603;CC(C)OC=CNC=O;TUKYFRBMZQQOMY-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153604;MM153604;C=COC=COC(C)C;PKTMHKUAVZTPPE-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153605;MM153605;C=CCC=NOC(C)C;JNKCGRCNERZNKN-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153606;MM153606;CC#CC#CC(O)C=NN;SPDVCFMWWKHMJC-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153607;MM153607;CC(C)ON=COC=O;WKKFUAQUKIMUOX-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153608;MM153608;CN(C)CC=CNC=N;IEZKSNGJKNAMTR-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153609;MM153609;C=COC=CCN(C)C;LTFJQXAUSQPDQX-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153610;MM153610;CC(O)(C#N)CCN1CC1;OAEADSLJPVRFNG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153611;MM153611;CN(C)N=CNOC=O;ZHEDYAOCROLBTC-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153612;MM153612;C#CCC=CCC(C)C;FUUHZCAJIAJEJX-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153613;MM153613;C#CCC=CCC(C)N;SKWTVEPRWJSSBH-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153614;MM153614;C#CC(O)C(C#N)NCC;VCPIGEJKFVPCNP-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153615;MM153615;C#CCC=CCC(C)F;QGKPJGQXQZRESD-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153616;MM153616;C#CCC=CCC(F)F;YWFFACPQXMLVNH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153617;MM153617;C#CCNC=NC(C)C;JOZVUZAMVZFFIL-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153618;MM153618;C#CCC=NNC(C)C;AUKGBMHXBOXBAK-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153619;MM153619;C#CCC=NOC(C)C;ZJGVUIMXKQBKOA-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153620;MM153620;C#CCC=CCN(C)C;GBTSRAUBVQAYQB-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153621;MM153621;C=C(C)CC=CCCC;CZDDOFAHAGXNBL-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153622;MM153622;C=C(C)CC=CCCN;DGYCPRFOKCPBDH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153623;MM153623;C=C(C)CC=CCCO;KRDRVAXQBPUAML-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153624;MM153624;C=C(C)CC=CCCF;YWYCQMAMOKMMGG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153625;MM153625;CCCC=CCC(C)=O;OMKNAWLMVVVCLD-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153626;MM153626;CCCC=CCC(=N)N;RHKJAHJHFBSKTQ-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153627;MM153627;N=C(N)CC=CCCF;OXMGPFZFXMWJRD-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153628;MM153628;CCCC=CCC(N)=O;KQQWQOPRJBTLTD-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153629;MM153629;NCCC=CCC(N)=O;GDDHJMGDCUMKHL-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153630;MM153630;CCCC=CCC(=O)O;BCYXFRMDZWKZSF-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153631;MM153631;O=C(O)CC=CCCF;WRNAYLGELZRPTC-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153632;MM153632;C=C(F)CC=CCCC;ZAEVNELPJVFFNK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153633;MM153633;C=C(F)CC=CCCN;OWYJJNIZARMJQS-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153634;MM153634;C=C(C)CC=CCNC;ZIWDOZTURQNNIX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153635;MM153635;CNCC=CCC(=N)N;KCCNCBJXDSGJEL-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153636;MM153636;COCC=CCC(C)=O;FGSXYRBAGIAECZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153637;MM153637;C=C(C)CC=COCC;DZIANDSMLDQRAM-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153638;MM153638;CCOC=CCC(C)=O;FEMLYBUPOWHHEG-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153639;MM153639;CCOC=CCC(=N)N;KFEHAHIWKWJEOI-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153640;MM153640;CCOC=CCC(N)=O;ONFCZPSFLDCNHR-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153641;MM153641;COc1nc(=N)cc(O)o1;QMIJZVRYNJPKGZ-UHFFFAOYSA-N;142.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153642;MM153642;CCNN=CCC(=N)N;HVLBTRVCLMZYJV-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153643;MM153643;C=CC(=C)C(=NO)N(C)N;HMHIZOQZDHIMHH-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153644;MM153644;C=C(C)CC=NOCC;XWRUTNVLEDLCTC-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153645;MM153645;C=CC(C=CCCC)=NO;RIOBUILBSGHOAX-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153646;MM153646;C=C(F)CC=NOCC;NUTAIAYIBBXJMO-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153647;MM153647;CCCC=CNC(C)=N;OSHZGRIDXNLOHT-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153648;MM153648;CC(=N)NC=CCCF;IWJQVZLJOOSBOF-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153649;MM153649;CCCC=CNC(C)=O;JEAGVCYPPHVKMU-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153650;MM153650;CC(=O)NC=CCCO;UDGGIFCYEZWXRT-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153651;MM153651;CC(=O)NC=CCCF;BJEZKONNNVCHJP-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153652;MM153652;CCCC=CNC(=N)N;OENOBKVZDPLPOJ-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153653;MM153653;N=C(N)NC=CCCO;YWOQSQAWFDYUFY-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153654;MM153654;CCCC=CNC(N)=O;ZMDJUWXOONQVEF-UHFFFAOYSA-N;128.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153655;MM153655;NCCC=CNC(N)=O;OEELPQZQTOPOGL-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153656;MM153656;NC(=O)NC=CCCF;QNWHZGDATFCNFS-UHFFFAOYSA-N;132.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153657;MM153657;COCC=CNC(N)=O;PGTNBEUFUIUWLQ-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153658;MM153658;CCOC=CNC(C)=N;LTVDLCDUJBWKKG-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153659;MM153659;CCOC=CNC(=N)N;YWKZDSSTPWAIRU-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153660;MM153660;CCOC=CNC(N)=O;XHNIXOQSFADPQE-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153661;MM153661;C=C(C)NC=NCCC;YLHCGKVPERMGDC-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153662;MM153662;CCCN=CNC(C)=N;NLUXIEVDNPPQNU-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153663;MM153663;CC(=N)NC=NCCO;QGOFBCIFWFNRGZ-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153664;MM153664;CC(=O)NC=NCCN;FVCYPBXTCDHWCM-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153665;MM153665;CC(=O)NC=NCCO;SJIRFFFELYTIAK-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153666;MM153666;N=C(N)NC=NCCO;IFHBTBGORUWUAR-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153667;MM153667;N=C(N)NC=NCCF;KYYODZSHQLQJKJ-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153668;MM153668;NCCN=CNC(N)=O;RMPNVRFANZDINF-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153669;MM153669;COC(OC)C(O)C=NN;KLUOQQHDJCDWNA-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153670;MM153670;CCNN=CNC(C)=N;KHZGAEGWLODWGF-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153671;MM153671;CCNN=CNC(C)=O;SFSGPSBYXGHPBY-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153672;MM153672;CCNN=CNC(N)=O;HREMGPPMBVZVBY-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153673;MM153673;C=C(C)NC=NOCC;ITJOHLLDKZJGAD-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153674;MM153674;CCON=CNC(C)=O;TVJHBGQNNOHFRG-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153675;MM153675;CCCC=NNC(C)=O;YQSWZOUYJKMTGZ-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153676;MM153676;CCCC=NNC(=N)N;KDXQOLQCVPEJJE-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153677;MM153677;N=C(N)NN=CCCN;XWPJAMUEYUEQEA-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153678;MM153678;N=C(N)NN=CCCO;BQCYRAIFLHVBOH-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153679;MM153679;CCCC=NNC(N)=O;YRBQCUYYYJZPKC-UHFFFAOYSA-N;129.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153680;MM153680;NCCC=NNC(N)=O;OXXVODBEIPTBOZ-UHFFFAOYSA-N;130.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153681;MM153681;NC(=O)NN=CCCO;LGOBENOWBXKHAL-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153682;MM153682;NC(=O)NN=CCCF;QKBMBGWZAKMHOE-UHFFFAOYSA-N;133.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153683;MM153683;CNCC=NNC(=N)N;FGZUQZFGOBPQEF-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153684;MM153684;CNCC=NNC(N)=O;NQVCYDCLKHLNJE-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153685;MM153685;C=C(C)OC=CCCC;TWZLITGHHPINGJ-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153686;MM153686;C=C(C)OC=CCCN;AWDGQHCTJYOXPB-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153687;MM153687;C=C(C)OC=CCCO;ASDFEMAHBDMRIW-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153688;MM153688;C=C(C)OC=CCCF;RPUCAQMSSPTWAO-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153689;MM153689;CCCC=COC(C)=O;XISWSMPYOFEMKE-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153690;MM153690;CNCC=COC(C)=O;ZHMZWTMHUWVONG-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153691;MM153691;C=C(C)OC=CCOC;DZHQVGLJRHHULR-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153692;MM153692;COCC=COC(C)=O;QWICZOGAWYZBLQ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153693;MM153693;C=C(C)OC=COCC;RJHMYTBNMXHPLN-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153694;MM153694;CCOC=COC(C)=O;RDQQZSMXQAMRFQ-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153695;MM153695;CCC(=NN)C(=O)NNC;YNQATOAXZLZBIN-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153696;MM153696;CCc1[nH]c(N=O)cc1C;RYXFFTMTRPCZRQ-UHFFFAOYSA-N;138.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153697;MM153697;C=C(C)OC=NOCC;UTBICSFLWCMOQH-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153698;MM153698;N=C(N)ON=CCCN;YBOFPTSBJDDIHB-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153699;MM153699;CN1CC1CC#CCC#N;SUFNQXZQFUUHPD-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153700;MM153700;NCCC=NOC(N)=O;RVGYPFGNAFZQBB-UHFFFAOYSA-N;131.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153701;MM153701;C#CC1C(C(=O)NN)N1C;MZVJJLLTHHKUKF-UHFFFAOYSA-N;139.16;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153702;MM153702;CNCC=NOC(C)=O;UTFJNEWYFORFRL-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153703;MM153703;CCOC=NOC(C)=O;LZCNPDLDUKHZRH-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153704;MM153704;C=CCC=CCC(=C)C;KSTOLFKESQJVMO-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153705;MM153705;C=C(C)CC=CCC=O;GNFJYCLQFLQKJS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153706;MM153706;C=C(C)CC=CCC#N;FIPUQUGMTRAMLO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153707;MM153707;C=CCC=CCC(N)=O;KEPFFOLOLYXMBX-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153708;MM153708;NC(=O)CC=CCC=O;MGQCYJQHBBYYKO-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153709;MM153709;N#CCC=CCC(=O)O;LTCGUGJGQJOVJN-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153710;MM153710;C=CCC=CCC(=C)F;VQAWZCBPHZYXSM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153711;MM153711;C=C(F)CC=CCC=O;QNPKHCYJVQXLQW-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153712;MM153712;C=C(C)CC=CNC=N;BFKVMGMOFNKIIA-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153713;MM153713;C=C(C)CC=CNC=O;XCRLHFGMFBAGMH-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153714;MM153714;N=CNC=CCC(=N)N;ZYLPBXQANYVFLX-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153715;MM153715;N=C(N)CC=CNC=O;MASSJUYBBRQXKL-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153716;MM153716;C=C(F)CC=CNC=N;VQTWTKBIRPIIRO-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153717;MM153717;C=C(F)CC=CNC=O;QKCBNBHMVIWKLO-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153718;MM153718;C=COC=CCC(=C)C;VYFSBWVLTSJQNK-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153719;MM153719;C=C(C)CC=COC=O;IYVQYFVGSLKJSX-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153720;MM153720;C=COC=CCC(=N)N;SNGGVUGTPUZNHJ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153721;MM153721;N=C(N)CC=COC=O;JXSDSPXZHCMKHP-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153722;MM153722;NC(=O)CC=COC=O;QEUGRKAWBVBKND-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153723;MM153723;N=c1n(O)c(=O)n(O)n1N;XAYRZKOAOWJKIB-UHFFFAOYSA-N;147.09;-2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153724;MM153724;C=C(F)CC=COC=O;WLOCDBHMTMEPKX-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153725;MM153725;Nn1cnc(=O)c(=O)n1O;BCSQFQNDNOEGFW-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153726;MM153726;C=C(F)CC=NNC=O;CLTBPYDZIWTAGQ-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153727;MM153727;C=C(C)CC=NOC=O;OFPSPQQBEIBBOH-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153728;MM153728;N=C(N)CC=NOC=O;LPQUARNRYCYLKI-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153729;MM153729;C=NNCCC#CCC#N;DIMATEBLKLAVPS-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153730;MM153730;C=C(F)CC=NOC=O;BBSDDFRXPVIQSX-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153731;MM153731;C=CNC=NCC(=C)C;SGFBVIPKFBJGOA-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153732;MM153732;C=CNC=NCC(=C)F;GOGDQFHRCOJNSB-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153733;MM153733;C=CCC=CNC(C)=N;BAMIXRZGISTRSA-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153734;MM153734;CC(=N)NC=CCC=O;IEQATGDYJQVLRV-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153735;MM153735;C=CCC=CNC(C)=O;PGGUDVVEAUOQGK-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153736;MM153736;CC(=O)NC=CCC=O;UZFRXLJSAPGVNC-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153737;MM153737;N=C(N)NC=CCC=O;BHTRZOVVSJCCMA-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153738;MM153738;CC(=O)NC=CN=CN;ZDNQOYGFNIGWOU-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153739;MM153739;CC(=O)NC=CNC=O;KAECEQGXQJFMQP-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153740;MM153740;N=CNC=CNC(=N)N;PCXJYWNKFBEFHU-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153741;MM153741;N=CNC=CNC(N)=O;CAUPJZQTXQEDSX-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153742;MM153742;C=COC=CNC(C)=N;KOOLRLIEXXMTSP-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153743;MM153743;C=COC=CNC(C)=O;CIUCABGUHAXRDK-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153744;MM153744;C=COC=CNC(=N)N;APRKKOZZAKRQNQ-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153745;MM153745;N=C(N)NC=COC=O;MVKHULMVECSOGK-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153746;MM153746;NC(=O)NC=COC=O;XBJMRLWIASVIOC-UHFFFAOYSA-N;130.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153747;MM153747;C=CCNC=NC(=C)C;CEPMYAKBAYQJNP-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153748;MM153748;CC(=N)NC=NCC#N;MQERNBNYLPNINH-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153749;MM153749;C=CCN=CNC(=N)N;CMYAQIQUEIFHGN-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153750;MM153750;N=C(N)N=CNCC=O;BAIZROSYJMXAIZ-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153751;MM153751;CC(=N)NC=NNC=N;DGKOPXOANCSVFO-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153752;MM153752;CC(=N)NC=NNC=O;VKFMKECQHXFDID-UHFFFAOYSA-N;128.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153753;MM153753;N#CCC#CCCN1CC1;SVFVTBKBRKHABN-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153754;MM153754;CC(=O)NC=NNC=O;FYYULDHOQYFKIQ-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153755;MM153755;N=C(N)NC=NNC=O;OBPPEESSKWHHBW-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153756;MM153756;NC(=O)NC=NOC=O;AXPIIYNWRHFADB-UHFFFAOYSA-N;131.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153757;MM153757;C=CCC=NNC(C)=O;FXIVLNHQSONBPN-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153758;MM153758;C=CCC=NNC(N)=O;ZPNKKPPZLUSUQT-UHFFFAOYSA-N;127.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153759;MM153759;NC(=O)NN=CCC=O;GUSCGSUEDCSUAC-UHFFFAOYSA-N;129.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153760;MM153760;C=CN=CNNC(=N)N;OKXCQOIPRUFIHT-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153761;MM153761;N=C(N)NN=COC=O;MTFKGRZGTVRFRF-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153762;MM153762;C=NOC=NNC(=N)N;GKZPJJBJKXNPAI-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153763;MM153763;C=C(C)OC=CCC=O;YDYZDSRWLMOZEH-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153764;MM153764;C=C(C)OC=CCC#N;FWABTBYLPOTPQA-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153765;MM153765;C=CCC=COC(C)=O;GCYHSSRMSUZFIY-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153766;MM153766;C=C(C)OC=CNC=N;PWCWJDQVPITYAS-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153767;MM153767;C=C(C)OC=CNC=O;LEIVXOJVIWPIBB-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153768;MM153768;C=COC=COC(=C)C;ZGMRECOQHUAKKV-UHFFFAOYSA-N;126.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153769;MM153769;C=COC=COC(C)=O;NPOZTCRAKYJHQD-UHFFFAOYSA-N;128.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153770;MM153770;COCC(=O)NN;XEPXDMNZXBUSOI-UHFFFAOYSA-N;104.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153771;MM153771;C=C(C)OC=NNC=O;JQQTUIQVHDZCDI-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153772;MM153772;C=C(C)OC=NOC=O;UEJZUEVLVLMPQY-UHFFFAOYSA-N;129.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153773;MM153773;CC(C)(O)C(=O)NN;HXRPUTVWJDNSDJ-UHFFFAOYSA-N;118.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153774;MM153774;NC(=O)CNNC=O;YTLOSJJYTIZFCV-UHFFFAOYSA-N;117.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153775;MM153775;C=COC=NOC(C)=O;GTAAHUUDGFSPQV-UHFFFAOYSA-N;129.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153776;MM153776;C#CCC=CCC(=C)C;ULWRJTBKIGFPPJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153777;MM153777;C#CCC=CCC(C)=O;FVMIZZRJTTXGNN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153778;MM153778;C#CCC=CCC(=N)N;APADSEJWCBUJIR-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153779;MM153779;C#CCC=CNC(C)=O;LMBLWBCVMKJJLN-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153780;MM153780;C#CCC=CNC(=N)N;DGDPIBUPGKLJPD-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153781;MM153781;C#CCC=CNC(N)=O;UEKIGEWZARBIAK-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153782;MM153782;C#CCN=CNC(N)=O;RXTDVEQKVHAPQJ-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153783;MM153783;C#CCC=NNC(C)=O;HLIPAHQMOWYSJQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153784;MM153784;C#CCC=COC(=C)C;JTOJUMNCIFMVLR-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153785;MM153785;C#CCC=COC(C)=O;VBRUCAYFHVTMRM-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153786;MM153786;CC(C)CC=CC=CF;HLLNTNOCXTUGOI-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153787;MM153787;CC=CC=CCC(C)N;QPOAXFZXPVVTSB-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153788;MM153788;CC=CC=CCC(F)F;NFFAYXNISRUCKH-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153789;MM153789;FC=CC=CCC(F)F;IAHVWSFHXXKDEO-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153790;MM153790;CC(C)CC=CC=NN;XOVHRFPQQQSMCX-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153791;MM153791;NNC(=O)NCCF;ROUOCZVSVPCRBP-UHFFFAOYSA-N;121.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153792;MM153792;CC(F)CC=CC=NN;JRLQIBQNUJNCOO-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153793;MM153793;CC(F)CC=CC=NO;LDNSGJDPQDOKOG-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153794;MM153794;CC=NN=CCC(C)C;HFDCUEVIEFBAMP-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153795;MM153795;CC=NN=CCC(C)N;HWTLYPYDPYPZKI-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153796;MM153796;CC=NN=CCC(C)O;AVOKLEUYDRLSFV-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153797;MM153797;CC=NN=CCC(C)F;WPJVVHUMZBWDJT-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153798;MM153798;CC(C)(F)CC(=O)NN;CRIWTVWKWQPZBY-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153799;MM153799;CC=CC=NNC(C)C;VFPIMXUWBJRDMY-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153800;MM153800;CC(C)NN=CC=CF;DTJSFVZZMHXHRE-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153801;MM153801;CC(C)OC=CC=CF;FIAAWHMVPSTTFP-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153802;MM153802;CC(C)OC=CC=NN;ZNOZOKVBAVGIPN-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153803;MM153803;CC(C)OC=CC=NO;AZUKNXSKGQGXDJ-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153804;MM153804;CC=NN=COC(C)C;GPPOIFDFGMBXKB-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153805;MM153805;CC=CC=NOC(C)C;VSUYOZAJPYETHO-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153806;MM153806;CC(C)ON=CC=CF;NZDZXKQSVPLJLU-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153807;MM153807;C=CC(C)N(C)C=NO;LIOLEDVOIWVMMC-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153808;MM153808;CC(C)ON=CC=NO;SKVSBYSLSMWYTN-UHFFFAOYSA-N;130.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153809;MM153809;CC=CC=CCN(C)C;OQNQVZSWWQGUQG-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153810;MM153810;CN(C)CC=CC=CF;ALHMBTCUYFJXLP-UHFFFAOYSA-N;129.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153811;MM153811;C=C(C)CC=CC=CC;AMFKSOYTHWXGAN-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153812;MM153812;C=C(C)CC=CC=CF;PKKFYSDOEUHRPW-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153813;MM153813;CC=CC=CCC(C)=O;WCXZJNBNVYUXJV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153814;MM153814;CC(=O)CC=CC=CF;LGMGMNZSLMDOAS-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153815;MM153815;CC=CC=CCC(=N)N;HSWFDXTXKCPONM-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153816;MM153816;CC=CC=CCC(N)=O;FTZVWXKAUHBLOJ-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153817;MM153817;C=C(C)CC=CC=NN;CQURGZFGMJWPDZ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153818;MM153818;CN1OC(=O)C(N)C1=N;FJRNEQJWPMEYNV-UHFFFAOYSA-N;129.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153819;MM153819;N=C(N)CC=CC=NO;XGYYBOMMUBDGMN-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153820;MM153820;NC(=O)CC=CC=NO;DEDDQVKLQWWBIP-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153821;MM153821;C=C(F)CC=CC=NN;UVBQFCYGQDCCRC-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153822;MM153822;C=C(C)CC=NN=CC;KRPFEIRFJZBIEJ-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153823;MM153823;CC=NN=CCC(=N)N;LVPWDXWGNLRFHW-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153824;MM153824;CC=NN=CCC(N)=O;SQHIMYIJNICCEL-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153825;MM153825;C=C(F)CC=NN=CC;OUQLGDSUTHWGAP-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153826;MM153826;NC(=O)NC=CC=CF;TUVPOGMGMSRRQF-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153827;MM153827;CC(=N)NC=CC=NN;OBYGKIJLCBASBW-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153828;MM153828;COc1cnc(O)n1N;DXUFPUFVGPUASU-UHFFFAOYSA-N;129.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153829;MM153829;CC(=O)NC=CC=NO;HPADMEJZNUBQRI-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153830;MM153830;N=C(N)NC=CC=NN;QEPQLUZAYGQXDY-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153831;MM153831;N=C(N)NC=CC=NO;QNHBZFRCUOMKOO-UHFFFAOYSA-N;128.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153832;MM153832;NC(=O)NC=CC=NO;DPCRZXONLLKFGI-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153833;MM153833;CC(=N)NC=NC=NN;SJKMUWLHTCZVFV-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153834;MM153834;CC(=N)NC=NC=NO;OMNUVTDEOPIHKE-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153835;MM153835;CC(=O)NC=NC=NO;ZVNIORAYYZBMCB-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153836;MM153836;CN=CN=CNC(=N)N;WMSQVYMCLWTCRA-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153837;MM153837;N=C(N)NC=NC=NN;AAIMJYBMNYEEBF-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153838;MM153838;N=C(N)NC=NC=NO;DUTVHWHCWYMNKZ-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153839;MM153839;CNC1(C=O)CNC1=O;JOYRGWLKGCISQU-UHFFFAOYSA-N;128.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153840;MM153840;C#CC(F)C(C)(O)C=NN;ZXMZRZWBMYSDRK-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153841;MM153841;C=CC#CC(C)(O)C=NN;LMCIQDBWKQIWIJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153842;MM153842;CC=NN=CNC(C)=N;YNMJEJOKVAJHEI-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153843;MM153843;CON=C(C)CC(O)C#N;LRFPHPZEAAKNLS-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153844;MM153844;CC(=O)NN=CC=CF;QSIFEZACWKVKHM-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153845;MM153845;CC=CC=NNC(=N)N;PALPAPPWBZYSEE-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153846;MM153846;N=C(N)NN=CC=CN;FDRWJJSSOSSBDA-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153847;MM153847;CC=CC=NNC(N)=O;MVGVEKBZYSGCQU-UHFFFAOYSA-N;127.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153848;MM153848;N=C(N)NN=CC=NN;FUCJIQVKXQHVGB-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153849;MM153849;N=C(N)NN=CC=NO;CWKQYADYGWQJOF-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153850;MM153850;CNN=C(C)C(=O)NNC;FVTCVSHMNLLDMJ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153851;MM153851;NC(=O)NN=CC=NO;ZHXRZSYUBNKISA-UHFFFAOYSA-N;130.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153852;MM153852;CC(=O)OC=CC=CF;GHCWVSKGYMVTER-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153853;MM153853;C=C(C)OC=CC=NN;PQAANTDLHNPQDI-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153854;MM153854;C=C(C)OC=CC=NO;WXNJYIMAAZQNJI-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153855;MM153855;C=C(C)OC=NN=CC;FGEFUDIYJOGFBH-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153856;MM153856;CC=NN=COC(C)=O;LRTHENALBRWLGL-UHFFFAOYSA-N;128.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153857;MM153857;CC=NN=COC(N)=O;CRFRHUIECFGGIK-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153858;MM153858;CC(=O)ON=CC=CN;LVONQZOLWQWFAR-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153859;MM153859;CC(O)C(O)C#CC=NN;GDYNYURYZLDZBB-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153860;MM153860;NC(=O)ON=CC=CF;JHYCDPMSLXMUHD-UHFFFAOYSA-N;132.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153861;MM153861;CC1CN1CC(=O)CC#N;FCJQIXYAGPRXPN-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153862;MM153862;CC(=O)ON=CC=NO;WOXAUWHLVSWMQY-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153863;MM153863;CC#CC=CCC(C)C;ZGNUQFHPUUTFHT-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153864;MM153864;CC#CC=CCC(C)N;ZNIIXZDFSUIALP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153865;MM153865;CC(C#N)CCNNC=O;DVLGVQYWRMSAHI-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153866;MM153866;CC#CC=NNC(C)C;JNDXZMNYAVYYJG-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153867;MM153867;CC#CC=COC(C)C;KLCXNOVYLZBWLK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153868;MM153868;CC#CC=NOC(C)C;CZZHZXBJUZBOHQ-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153869;MM153869;C=C(C)CC=CC#CC;KCOKBQBAIYIHIS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153870;MM153870;CC#CC=CCC(C)=O;RYNMQKXAUVMLLC-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153871;MM153871;CC#CC=CCC(=N)N;XFAWKTPWHAFWPI-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153872;MM153872;CC#CC=CCC(N)=O;VNUGQTOECBXGFA-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153873;MM153873;CC#CC=CCC(=O)O;WLZGYFUIOHAAKT-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153874;MM153874;C=C(F)CC=CC#CC;SLDHQYCMQJKOCA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153875;MM153875;CC#CC=CNC(C)=N;IEGQINZJUAZMQN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153876;MM153876;CC#CC=CNC(=N)N;AKYLQNFZWKZQHX-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153877;MM153877;CC#CC=CNC(N)=O;ZEWAKIVVUKLHAJ-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153878;MM153878;C=C(C)OC=CC#CC;WTMWYRSDITYZLL-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153879;MM153879;CC#CC=NOC(C)=O;DRPKKLCPXJJKSH-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153880;MM153880;CCCC#CCC(C)C;MBLOALSHICMMKJ-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153881;MM153881;CC(C)CC#CCCN;DPIYFSYESCKFBK-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153882;MM153882;CC(C)CC#CCCO;UEFRUCZXPDBXSV-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153883;MM153883;CC(C)CC#CCCF;YTIKROQNHAWCPD-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153884;MM153884;CCCC#CCC(C)N;NGENSKDFMXTJBP-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153885;MM153885;CC(N)CC#CCCF;LHYIOWXEYHGGEK-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153886;MM153886;NNC(=O)CC=COC=O;JJDCEOHHAXGJQV-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153887;MM153887;C=CC(ON=C)C(O)C=O;RVXOORGCXUFFMP-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153888;MM153888;CCCC#CCC(C)F;HJRVOMNNNCCDHD-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153889;MM153889;CC(F)CC#CCCN;ZVAYFJPOZGCJPZ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153890;MM153890;CC(F)CC#CCCF;ISIIBOONUGVTST-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153891;MM153891;CCCC#CCC(F)F;NQFJMGGYXCHVEG-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153892;MM153892;NCCC#CCC(F)F;WSCALEIAFYSQEG-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153893;MM153893;CNCC#CCC(C)C;KHGYBKBAXYJQMK-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153894;MM153894;CNCC#CCC(C)F;DADSOFFZFAMOOQ-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153895;MM153895;COCC#CCC(C)C;KTKUCMWRJAAZDK-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153896;MM153896;COCC#CCC(C)N;LTZFCGSMOBDYOS-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153897;MM153897;C=NOC(=NN)C(O)CO;CZENADKXSRXCSZ-UHFFFAOYSA-N;147.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153898;MM153898;C=CCC#CCC(C)C;UCTADKUJEXXRCF-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153899;MM153899;CC(C)CC#CCC=O;XPIZMHMNYQFFBO-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153900;MM153900;C=CCC#CCC(C)N;CPABARCLRLZHRY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153901;MM153901;CCN=C(NC)C(=O)NN;XLWZEPWTVLCATJ-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153902;MM153902;C=CCC#CCC(C)F;XKPPHCGOPVHBJC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153903;MM153903;CC(F)CC#CCC=O;AGPSUCVKDSGVOG-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153904;MM153904;CC(F)CC#CCC#N;OAAAHPRQZZVWSW-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153905;MM153905;C=CCC#CCC(F)F;HSJWQIVKIWJZFI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153906;MM153906;O=CCC#CCC(F)F;QYKGKLVYWRNIFJ-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153907;MM153907;N#CCC#CCC(F)F;UIEORGZRYFEKEL-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153908;MM153908;C#CCC#CCC(C)C;GJGNKHDTTPMAPO-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153909;MM153909;C#CCC#CCC(C)N;LTLVKZRCBXYDRS-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153910;MM153910;CCC=CC(=NO)N(C)N;VVJCIHUYWCCZSG-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153911;MM153911;C#CCC#CCC(C)F;BUULFMKFIIQSPR-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153912;MM153912;C#CCC#CCC(F)F;FJAWCQJIERRCMW-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153913;MM153913;C=C(C)CC#CCCC;JERSHVQJBXCJDG-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153914;MM153914;C=C(C)CC#CCCO;DBRRMYIGNAXUPM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153915;MM153915;C=C(C)CC#CCCF;IIHAJGHIVGILSO-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153916;MM153916;CCCC#CCC(C)=O;QYYSSLFPNXVDDP-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153917;MM153917;CCCC#CCC(=N)N;XLOFAAFJSCSUOH-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153918;MM153918;N=C(N)CC#CCCO;DQUGAXIYIAWDLM-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153919;MM153919;CCCC#CCC(N)=O;IDUVUFQIDLGGLC-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153920;MM153920;CCCC#CCC(=O)O;CVEHSFVOOYBVIX-UHFFFAOYSA-N;126.16;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153921;MM153921;C=C(F)CC#CCCC;HCIGUVUHOCEMCJ-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153922;MM153922;C=C(F)CC#CCCO;AOKTUXQSNKPGHF-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153923;MM153923;C=C(F)CC#CCCF;XYFDWPDIVXCUPB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153924;MM153924;C=C(C)CC#CCNC;XXUDOGKECAQKMN-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153925;MM153925;C=C(F)CC#CCNC;GOHGWRTVHRYHAQ-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153926;MM153926;C=C(C)CC#CCOC;FSVMQOUTEWSWJT-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153927;MM153927;C=C(F)CC#CCOC;LWMDACIDQLDTEC-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153928;MM153928;C=CCC#CCC(=C)C;PFFDUHSTNOQUHT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153929;MM153929;C=C(C)CC#CCC=O;JEJYDKYUHLPBBF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153930;MM153930;C=C(C)CC#CCC#N;ABCWIBJTJFGMKN-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153931;MM153931;CC(=O)CC#CCC=O;DGLHUMKWGVGYQN-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153932;MM153932;CC(=O)CC#CCC#N;MAFLVSIMZNSRQN-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153933;MM153933;C=CCC#CCC(=N)N;GWTWAJVAGWFYRF-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153934;MM153934;N=C(N)CC#CCC=O;MVEHTBNVFPTDPD-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153935;MM153935;C=CCC#CCC(N)=O;VMIVNQZELFIZRF-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153936;MM153936;NC(=O)CC#CCC=O;OGIPOGIRGJBABO-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153937;MM153937;C=CCC#CCC(=O)O;RQOYRDPWWIILPB-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153938;MM153938;C=CCC#CCC(=C)F;MHXYQKLGERMZIG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153939;MM153939;C=C(F)CC#CCC=O;PIDXARMQBBWTNG-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153940;MM153940;C=C(F)CC#CCC#N;JHSYPGBACXORAY-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153941;MM153941;C#CCC#CCC(=C)C;DBLVOEWDLNEGNC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153942;MM153942;C#CCC#CCC(=N)N;IYZTUMGEAXJNBO-UHFFFAOYSA-N;120.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153943;MM153943;C#CCC#CCC(N)=O;APRJSKAPYKUCBW-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153944;MM153944;C#CCC#CCC(=C)F;IOALFHWPTGBCJF-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153945;MM153945;CC=CC#CCC(C)C;GJFQZAPZWQMLBA-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153946;MM153946;CC(C)CC#CC=CF;KMULQZVGXVHFTH-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153947;MM153947;CC=CC#CCC(C)N;PRPGFSIUZFWEFI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153948;MM153948;CC(N)CC#CC=CF;LWFSDWFAIGFADO-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153949;MM153949;C=CCCNC(CC)=NO;UBGYXLZBPOZICA-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153950;MM153950;CC(O)CC#CC=CF;HQGIYQGQJZVNCP-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153951;MM153951;CC=CC#CCC(C)F;TXFRNZOMLTYBTP-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153952;MM153952;CC(F)CC#CC=CF;WTFJADGINSOGJU-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153953;MM153953;CC=CC#CCC(F)F;TUQRRSBASYWDCK-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153954;MM153954;CC(C)CC#CC=NN;JWPJRTXDVDNHLD-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153955;MM153955;CC(C)CC#CC=NO;UNIBFDCHAPEGHZ-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153956;MM153956;CNC(=NO)N(N)C=NN;YBCOEYQYZIITTN-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153957;MM153957;CC(F)CC#CC=NO;ZJPVNWDXJKCAKY-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153958;MM153958;C=C(C)CC#CC=CC;QVTLERJIISCKQJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153959;MM153959;C=C(C)CC#CC=CF;FEUYMCIPELBMMA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153960;MM153960;CC=CC#CCC(C)=O;AUYAHAJGNXMYFN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153961;MM153961;CC(=O)CC#CC=CF;FVOKAKMRAYMREE-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153962;MM153962;CC=CC#CCC(=N)N;ATBCDMYOKYHMID-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153963;MM153963;N=C(N)CC#CC=CF;DSVGJPNIMQEVJD-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153964;MM153964;CC=CC#CCC(N)=O;LYKZAMYJQSBTKU-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153965;MM153965;CC=CC#CCC(=O)O;ZXMNAAWMYFDRKF-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153966;MM153966;C=C(F)CC#CC=CC;HHQKAFZFADCNDA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153967;MM153967;C=C(F)CC#CC=CF;CUDUCLDAAYDGCY-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153968;MM153968;C=C(C)CC#CC=NN;RPDCFTIFRRPYFZ-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153969;MM153969;C=C(C)CC#CC=NO;BDVUQCPZFIHDJG-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153970;MM153970;COn1cnc(CC#N)c1;LQUGUBNZOSAFTL-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153971;MM153971;NC(=O)CC#CC=NO;PSGHXOTVWBIMFC-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153972;MM153972;Nn1c(O)nc(=O)n1O;MJDXJWDZGPISCJ-UHFFFAOYSA-N;132.08;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153973;MM153973;CC#CC1NCC(=O)C1O;VFIFGBVUFJBDPG-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153974;MM153974;C=C(F)CC#CC=NO;SAAMKPWBPBXCQP-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153975;MM153975;CC#CC#CCC(C)C;BJMPZXBNSYWLHR-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153976;MM153976;CC#CC#CCC(C)N;OJSZZLCZCYBLBV-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153977;MM153977;CC#CC#CCC(C)O;TVNUNJBXTNWCOX-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153978;MM153978;CC#CC#CCC(C)F;YYXGYYKHOPICGY-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153979;MM153979;CC#CC#CCC(F)F;TYNNEPYWGQTAIM-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153980;MM153980;C=C(C)CC#CC#CC;SMXWLNGUHFDXJX-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153981;MM153981;CC#CC#CCC(C)=O;GPAKLAQFQOIGHK-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153982;MM153982;CC#CC#CCC(=N)N;NFXUSEWVEMNAHD-UHFFFAOYSA-N;120.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153983;MM153983;CC#CC#CCC(N)=O;WMJLNPCYFZYKPR-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153984;MM153984;CC#CC#CCC(=O)O;DAAYLBVKICYCTC-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153985;MM153985;C=C(F)CC#CC#CC;QUUPSGYEVYWHIL-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153986;MM153986;CCCCC=CC(C)C;RXYSIDRRVRTDIF-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153987;MM153987;CC(C)C=CCCCN;MTIYAHLEZQRYNB-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153988;MM153988;CCC(O)C(=O)NN;YOYWDQRJJZUVRG-UHFFFAOYSA-N;118.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153989;MM153989;CC(C)C=CCCCF;CVYMDVIYXZRTOT-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153990;MM153990;CCCCC=CC(C)N;HWADWOXJTYLITK-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153991;MM153991;C=C(C)CN(C)C=NO;PHJPPDTWDRGUEW-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153992;MM153992;C=CC(=C)CNC=NO;IGMXRXKNAKRRQM-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153993;MM153993;CCCCC=CC(C)F;DLVHZBHMLLJVAL-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153994;MM153994;CC(F)C=CCCCN;BDTTYYVCYXTZPG-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153995;MM153995;N#CCC(=O)CN1CC1;JTVSXJZHYCHDKD-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153996;MM153996;NCCCC=CC(F)F;GTSMLETVKZZWSL-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153997;MM153997;FCCCC=CC(F)F;QRHAGVJFTPBCFF-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153998;MM153998;CNCCC=CC(C)C;XIMGOZBLTNTCIW-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM153999;MM153999;CNCCC=CC(C)F;JDFNWLQJMQMDOT-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154000;MM154000;COCCC=CC(C)N;IOEIKFWSZLWOJQ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154001;MM154001;CCNCC=CC(C)C;WOBXKWSCWDPYFT-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154002;MM154002;CCNCC=CC(C)F;YBNJOCSMUCDHEC-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154003;MM154003;CCOCC=CC(C)C;XLTXOKDODGBUDF-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154004;MM154004;CCCOC=CC(C)C;NAMSRJRIICCPRU-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154005;MM154005;CC(C)C=COCCF;CTGLTTLFNCFHQE-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154006;MM154006;CCCOC=CC(C)N;IDQYQFUAKNKATQ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154007;MM154007;CC(N)C=COCCO;ODZFCRZCSAZXDI-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154008;MM154008;CC(O)C=COCCO;OVPXIGHKIOXGNW-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154009;MM154009;CC(F)C=COCCO;OABAWSCYWCAQGT-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154010;MM154010;CC(F)C=COCCF;KKMCGBFTOMKKKD-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154011;MM154011;OCCOC=CC(F)F;OQFJXUHJIAGFSR-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154012;MM154012;COCOC=CC(C)C;BVXIJMVHZXHEPL-UHFFFAOYSA-N;130.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154013;MM154013;COCOC=CC(C)F;HWHNQPKAKBDMDQ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154014;MM154014;COCOC=CC(F)F;KBSTVYGHHYUGKM-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154015;MM154015;CC(C)C=NNCCN;ZKSVWBTWPMNNPW-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154016;MM154016;CC(N)C=NNCCN;JFOKUWTZDXSTDF-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154017;MM154017;CC(=NO)NCC1CC1;UGJPZRKCITVAMQ-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154018;MM154018;C=NOC(=N)NNC(C)=O;HZVMORIJMYXNFW-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154019;MM154019;CNNC(=O)CN(C)C=O;HDBYWTZXOIFZJD-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154020;MM154020;C#CC=CCNNC(N)=O;GUJHPUULFUGJFO-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154021;MM154021;CCC#CCNNC(N)=O;RVVGADYZLWAXKU-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154022;MM154022;CCCON=CC(C)C;QRENOEYBCOUMSV-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154023;MM154023;C#CCNNC(=O)NCC;SSGNPJIZBZUQGQ-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154024;MM154024;CCCON=CC(C)N;GRIHTOPRTUPZBL-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154025;MM154025;CC(N)C=NOCCN;DAWYKXAZBDUOOE-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154026;MM154026;CC(N)C=NOCCO;BILRLVOQUOOFNI-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154027;MM154027;CC(O)C=NOCCN;JQAVWJYIQLPNGG-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154028;MM154028;C=NN(C)C=NC(C)C#N;ORODOVZXFWNVKV-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154029;MM154029;COCON=CC(C)C;SXOFDXOSKBDCMG-UHFFFAOYSA-N;131.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154030;MM154030;COCON=CC(C)N;KHTIJIXMRKZPMY-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154031;MM154031;CCC1(C)OC1C(=O)NN;YFAUGTMHMCPETL-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154032;MM154032;NN=C(CO)CC(=O)NN;IIGMHKNUXOERGZ-UHFFFAOYSA-N;146.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154033;MM154033;C#CC1(CC(O)C#N)CN1;ODCMMZYMBGMLFI-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154034;MM154034;CCCCN=CN(C)C;VXNDBQSEHXDVEZ-UHFFFAOYSA-N;128.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154035;MM154035;CN(C)C=NCCCN;NRTPJTRKNDZMGM-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154036;MM154036;CN(C)C=NCCCO;YTFAOVAQZKEUNL-UHFFFAOYSA-N;130.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154037;MM154037;CN(N)C=NCCCO;DKYXFKDAIIIZLT-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154038;MM154038;COCCN=CN(C)C;GEPVQAPOAJXZQB-UHFFFAOYSA-N;130.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154039;MM154039;CN(C)C=NNCCF;QFATWCACNFEVLJ-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154040;MM154040;CN(O)C=NNCCN;GFKRGYRQCKQLCT-UHFFFAOYSA-N;132.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154041;MM154041;C=CN(N)C(=O)NNCC;URBXRPSDKDOTIX-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154042;MM154042;CN(N)C=NOCCF;OPHFEZPPTKKSMN-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154043;MM154043;CN(O)C=NOCCN;ILWSJBGOXAFMKQ-UHFFFAOYSA-N;133.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154044;MM154044;CCCN=C(N)C(=O)NN;WKIUSGMGBLIBPG-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154045;MM154045;CN(C)N=CCCCN;DUHAKPFGMVOELS-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154046;MM154046;C#CC(=CC=C)C(=O)NN;RBWGOFOIIVJIAW-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154047;MM154047;CCOCC=NN(C)C;KJJGSHUUOKHJIL-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154048;MM154048;CN(C)N=COCCN;YFJBCVXTQFGDFR-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154049;MM154049;C#CC(C(=O)NN)C(C)O;SAVZFMJQVQWJCZ-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154050;MM154050;C=CCCC=CC(C)C;PCCZIPQMIOMMGQ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154051;MM154051;CC(C)C=CCCC=O;NVNXKGNTXBQHJY-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154052;MM154052;CC(C)C=CCCC#N;DUDQKLVLNVLWIZ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154053;MM154053;C=CCCC=CC(C)N;NGOGFTYIZHUJRC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154054;MM154054;Nc1c(O)c(=O)ccn1N;CNTHYBBJIZFZMN-UHFFFAOYSA-N;141.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154055;MM154055;CC(F)C=CCCC=O;WZUFEAFUBZBPHR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154056;MM154056;C=CCCC=CC(F)F;MIJUABDAXIPPLR-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154057;MM154057;O=CCCC=CC(F)F;IQKVZHJEPVVNPN-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154058;MM154058;CC(C)C=CCNC=N;INTPVSHCKQDTOZ-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154059;MM154059;CC(N)C=CCNC=N;OYGGCZNEPCZODK-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154060;MM154060;CC(O)C=CCNC=N;KFUAUEYUORCHFB-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154061;MM154061;C=COCC=CC(C)F;GUTSEVOPKVUHPF-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154062;MM154062;C=CCOC=CC(C)C;CDZCHNSKQILABL-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154063;MM154063;CC(C)C=COCC=O;LKLUUHBLPHMFHZ-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154064;MM154064;CC(C)C=COCC#N;CLJWYHWAELQQAL-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154065;MM154065;C=CCOC=CC(C)N;MTNMCENEVZZKMR-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154066;MM154066;C=CCOC=CC(C)O;SMRCNGWCUNGMEL-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154067;MM154067;C=CCOC=CC(C)F;NPZWONLADBYTDX-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154068;MM154068;CC(F)C=COCC=O;RDGDMZMGQXUQAJ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154069;MM154069;CC(F)C=COCC#N;GXUHPKGDLRFIFB-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154070;MM154070;C=CCOC=CC(F)F;ZPNPBMDWFXNHSA-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154071;MM154071;O=CCOC=CC(F)F;NKSAPQWSAXNKHE-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154072;MM154072;N#CCOC=CC(F)F;IPAOGKKIJRFLJI-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154073;MM154073;C=CCNN=CC(C)C;WPPLATYTIDUBIO-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154074;MM154074;CC(C)c1cnc(CO)[nH]1;JXAXECYHMJAGMJ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154075;MM154075;N=C1COC(NO)=N1;AYFCBMULWYOXNG-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154076;MM154076;CN(C)NC(=O)N(C)N;YRIFOSHPKWKGQZ-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154077;MM154077;N=C(NNC=O)OC=O;QZEDLBLJLIAHRX-UHFFFAOYSA-N;131.09;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154078;MM154078;C=NNC=NC(C)C#N;VBMLUXBAGRINHB-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154079;MM154079;C=CCON=CC(C)C;UKUSYOSAJMOYCT-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154080;MM154080;Nc1cc(F)c(N)n1O;QBDWABLZYISQQB-UHFFFAOYSA-N;131.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154081;MM154081;C#Cc1c[nH]c(CF)n1;FONBYILPWIJWHX-UHFFFAOYSA-N;124.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154082;MM154082;C#Cc1cc(C#C)[nH]n1;OBKABNIBFFBXQL-UHFFFAOYSA-N;116.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154083;MM154083;C=CC(C)(C)N(C)C=NO;RBTJGFKBWUGPAN-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154084;MM154084;C=CCCN=CN(C)C;QKMKRZFRKNZCCS-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154085;MM154085;CN(C)C=NCCC#N;HHIMRLAMENYLGA-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154086;MM154086;C=CCCN=CN(C)N;JCEBCZGYZHYTNJ-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154087;MM154087;C=CCNN=CN(C)C;SCDMQUHRHSWJGI-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154088;MM154088;C=CCON=CN(C)N;FUCXGRBZHALYSA-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154089;MM154089;C=CC(O)(C=NN)C=NN;SBABWUQNOBJCJZ-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154090;MM154090;C=C(NC(=O)NN)C(C)F;YLXCKXPIHAXOHL-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154091;MM154091;C=C(C)OCOC(=O)NN;FETQHIXLRVXXFB-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154092;MM154092;C=COCC=NN(C)C;ANKFPAQXIVRKRQ-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154093;MM154093;CN(C)N=CCOC=O;KMKYLXIWGWMOLX-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154094;MM154094;CN(C)N=CONC=O;ACAKNYUSMNIHHY-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154095;MM154095;C#CCCC=CC(C)C;KXEKFIMWNHVQSM-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154096;MM154096;C#CCCC=CC(C)N;DGFZFVXBQJTAEM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154097;MM154097;C=NOC(C)CC(O)C#N;TUIBKYNVDIQCON-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154098;MM154098;C#CCOC=CC(C)C;CPZHLZUCAIVUTM-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154099;MM154099;C#CCOC=CC(C)N;YJLTZFLLLHWZGI-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154100;MM154100;C#CCOC=CC(C)O;GFRGFSZDKCSOEU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154101;MM154101;C#CCOC=CC(C)F;USKWDMSSJMOHGI-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154102;MM154102;C#CCOC=CC(F)F;CDUQRZQBVKCAGQ-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154103;MM154103;C=C(F)CN(C)C(=O)NN;FLOOXZZAZIILMZ-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154104;MM154104;C#CCON=CC(C)N;YCTPXSQORFNXRZ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154105;MM154105;CCCNNC(=O)C=NN;LRNHWRQTFKDTFC-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154106;MM154106;C#CCCN=CN(C)C;CTMLUNFLGZTQDU-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154107;MM154107;C#CCON=CN(C)N;ZKMYBPMCHTUJAF-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154108;MM154108;C#CCCC=NN(C)C;NYZFWFRHKJOEGW-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154109;MM154109;C#CCOC=NN(C)C;UQMMWEOTZAQKHJ-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154110;MM154110;C=C(C)C=CCCCN;XFOPVNQOYPDMNN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154111;MM154111;C=C(C)C=CCCCF;OKZDTJSIPCKTJN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154112;MM154112;CCCCC=CC(C)=O;ZCFOBLITZWHNNC-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154113;MM154113;CC(=O)C=CCCCF;ZMBHLQGHRDYMAK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154114;MM154114;N=C(N)C=CCCCN;DRVDHZVIYAOJJK-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154115;MM154115;NCCCC=CC(N)=O;HCKGNIGGIJNCKS-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154116;MM154116;O=C(O)C=CCCCF;XYRKSMDNHJHQJC-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154117;MM154117;C=C(F)C=CCCCN;CCRBTLSFOQOSTO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154118;MM154118;CN(NC=O)C(=N)OC=O;PZHWPYZYDVULED-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154119;MM154119;C=C(F)C=CCCCF;PYTMYILHGXWPAB-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154120;MM154120;C=C(C)C=CCCNC;PYDMSJGVRILVCR-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154121;MM154121;CNCCC=CC(N)=O;YKYGNDHLLOMCJA-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154122;MM154122;C=C(F)C=CCCNC;IAQQNGBXZHUKLX-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154123;MM154123;C=C(C)C=CCCOC;AZLGWLHIYDYNJW-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154124;MM154124;C=C(C)C=CCNCC;ZLQQMUFKUGNUEI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154125;MM154125;C=C(F)C=CCNCC;LDNSQVJTOGEENN-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154126;MM154126;C=C(C)C=CCOCC;KBQUHKKKDCZYFV-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154127;MM154127;CCOCC=CC(C)=O;IBNFKXNFQAFXND-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154128;MM154128;CC(=O)C=CNCCO;JDZBAICTEYAOOF-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154129;MM154129;CC(=O)C=CNCCF;ACMRJXDZTLERIH-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154130;MM154130;N=C(N)C=CNCCO;KNUQHTKTJLWAOY-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154131;MM154131;Cc1nnc(O)n(C)c1=N;CRKWZHQWUCCUJU-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154132;MM154132;C=C(C)C=COCCC;IIJSGFZLRYWCHV-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154133;MM154133;C=C(C)C=COCCN;GGEMMQJHIMFCPN-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154134;MM154134;C=C(C)C=COCCO;NLAPUSJHHDFPJW-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154135;MM154135;CCCOC=CC(C)=O;WSADXBDLFCQHKZ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154136;MM154136;N=C(N)C=COCCN;DKSVRKVPZRANQJ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154137;MM154137;N=C(N)C=COCCO;GYOPWNBWRCNYAQ-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154138;MM154138;NCCOC=CC(N)=O;DUVJTVYKQGCNKS-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154139;MM154139;NC(=O)C=COCCO;QRZFUTPHFRUGFO-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154140;MM154140;Cn1cc(CC#N)nc1O;IUHLZLMNALEDSI-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154141;MM154141;C=C(F)C=COCCN;KUXWLGDHWMFDAW-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154142;MM154142;C=C(F)C=COCOC;DPXCVBOSTFUBFD-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154143;MM154143;C=C(C)C=NNCCC;VQBYULRHZZSGMT-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154144;MM154144;COC(=O)NNC(=N)C#N;IPQKGWHDFMLECN-UHFFFAOYSA-N;142.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154145;MM154145;CCCNN=CC(=N)N;VPXHQHABBKLHPG-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154146;MM154146;N=C(N)C=NNCCN;DMJMBCOWEATUOO-UHFFFAOYSA-N;129.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154147;MM154147;N=C(N)C=NNCCO;IEKQXHATLXPDDZ-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154148;MM154148;NCCNN=CC(N)=O;LWHFWEONYGJQCP-UHFFFAOYSA-N;130.15;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154149;MM154149;C#CC1(O)CNN(C=O)C1;IPIFJLBFJCCANE-UHFFFAOYSA-N;140.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154150;MM154150;C=C(F)C=NNCCC;BNKXINZJHRJDNJ-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154151;MM154151;C=NOCC(O)C(=O)CF;XFADLOUKEMSGKU-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154152;MM154152;C=C(F)C=NNCCF;BXJVPDVKBYPEBA-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154153;MM154153;C=C(C)C=NOCCN;RBWNGIMCBNGARO-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154154;MM154154;N#CC(F)C(=N)NNC=O;XHNHZUPRFXXZQC-UHFFFAOYSA-N;144.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154155;MM154155;NCCON=CC(N)=O;CUNVKXTWCOTTCP-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154156;MM154156;CC=COCOC(=O)NN;ZEKJNCDFTKMYHV-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154157;MM154157;N=c1nc(C(=O)CF)o[nH]1;SXXDBAGQAGCBFD-UHFFFAOYSA-N;145.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154158;MM154158;C=C(C)C=NOCOC;YOYDUBSOGICWHI-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154159;MM154159;C=C(F)C=NOCOC;GPJVHRAVBGKCND-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154160;MM154160;C=C(C)C=CCCC=O;UWXVNBXGVHRCPK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154161;MM154161;C=C(C)C=CCCC#N;MIUWMKRDFSTRDW-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154162;MM154162;C=CCCC=CC(C)=O;WDIFTBWPYIVZNY-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154163;MM154163;CC(=O)C=CCCC=O;GKXYEPZYPUSEJJ-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154164;MM154164;C=CCCC=CC(=N)N;FSSUBGGBQURBOH-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154165;MM154165;NNC(=O)CNN=CCO;ZAWRYWGERLSITN-UHFFFAOYSA-N;146.15;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154166;MM154166;CC#CC(O)C(CC)=NN;SISWHLMCVDNKBP-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154167;MM154167;C#CCN1CC1C(=O)NN;MUWUWAIHJIGILW-UHFFFAOYSA-N;139.16;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154168;MM154168;C=CCCC=CC(=O)O;QQVKNEQDEIZBLC-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154169;MM154169;N#CCCC=CC(=O)O;HXQAWOPVFFYFCG-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154170;MM154170;C=CCCC=CC(=C)F;IDFPTMVYPKIFOK-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154171;MM154171;C=C(F)C=CCCC=O;ZNWWQUNGQYIBQI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154172;MM154172;C=C(F)C=CCCC#N;JWAGNXBKHVKZLK-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154173;MM154173;CC(=O)C=CCN=CN;OMPNIVMFURMALS-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154174;MM154174;N=CNCC=CC(=N)N;HCEKVXUPFJMZNS-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154175;MM154175;N=C(N)C=CCNC=O;QWUYZKSVACECMT-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154176;MM154176;C=COCC(=O)NN;JHURDWMRLIYWSG-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154177;MM154177;CN=c1[nH]cnc(=N)o1;XIFMJJOCJUUPQK-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154178;MM154178;C=NNCC=CC(=C)C;LSLORCAFKRIDLI-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154179;MM154179;C=COCC=CC(=C)C;YANSIJJBJDMBHV-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154180;MM154180;C=COCC=CC(C)=O;QOORXDXVQCWPEY-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154181;MM154181;N=C(N)C=CCOC=O;PKPNLLRDUFWXDK-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154182;MM154182;C=NOCC=CC(=C)C;ANVCXVNPKZKPPO-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154183;MM154183;C=NOCC=CC(=N)N;DKIRKRYVWCZYJS-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154184;MM154184;NN=C1C=C(F)CN1;LFKNEFGBSXYIJS-UHFFFAOYSA-N;115.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154185;MM154185;C=CCNC=CC(=N)N;PAPYWNQKJVIOOZ-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154186;MM154186;N=C(N)C=CNCC=O;CJIDTIPSXHAURV-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154187;MM154187;N#CCNC=CC(=N)N;ALDTYMRLPFGZKF-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154188;MM154188;CCC(C)(O)C(=O)NN;DOBPEXRIPHFREP-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154189;MM154189;N#CCn1nc(O)c(=O)o1;KXVJSCYBSRLHCU-UHFFFAOYSA-N;141.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154190;MM154190;O=CCC(=O)CC(=O)C=O;YVYUZICFQQAYQN-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154191;MM154191;CC(=O)C=CNNC=O;MKODUVLJHZUBPV-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154192;MM154192;C=CCOC=CC(=C)C;OAEFEXQCZOXPCP-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154193;MM154193;C=C(C)C=COCC#N;VZQOLWZACISMAC-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154194;MM154194;C=CCOC=CC(C)=O;TYLDHMDNBFCOHD-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154195;MM154195;N=C(N)C=COCC=O;KEWBDSXHYPNITQ-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154196;MM154196;NNC(=O)NCC(N)=O;GZDYIIYDXXGUAG-UHFFFAOYSA-N;132.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154197;MM154197;C=CCCN(C)C=NO;XRNHRGNFBOVLJA-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154198;MM154198;Nc1nc(F)c(=O)[nH]c1F;GNKJQIQIYYZXQN-UHFFFAOYSA-N;147.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154199;MM154199;C=CCOC=CC(=C)F;HOSCLPDFAXJPKA-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154200;MM154200;C=C(F)C=COCC=O;RJHRPXYXNLTBQM-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154201;MM154201;C=C(F)C=COCC#N;RYWPCFIOFVNMFT-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154202;MM154202;C=CCNN=CC(=C)C;WYLAVVJYJNLCLN-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154203;MM154203;CNNC(=O)C(C)OC;IJYHGWGJHLENCH-UHFFFAOYSA-N;132.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154204;MM154204;CCC=CC(=NO)NN;XGYOOBDVHQIAIT-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154205;MM154205;C=CC(C)(F)CC(=O)NN;MMYCOFVKRBDLFY-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154206;MM154206;CN(C)N=CC(C)(O)C=O;NEMGVEJCMASLGO-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154207;MM154207;O=c1c(O)ccc(O)n1O;ZBFNACZSXDTHHU-UHFFFAOYSA-N;143.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154208;MM154208;CCc1nn(C)c(=O)n1O;BJGSLCPNIFFTQB-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154209;MM154209;C=CCNN=CC(=C)F;WOSYVLLNRSSNHD-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154210;MM154210;CC(O)(C#CCO)C=NN;HPXRNOYKBNPMGM-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154211;MM154211;C=C(F)C(C)(O)C=NNC;FSMMPTPYHOKXQW-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154212;MM154212;C=CCON=CC(=C)C;VSHIZCYZPSYWOS-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154213;MM154213;C=CCON=CC(=N)N;ZWIDVDVOTIARNI-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154214;MM154214;N=C(N)C=NOCC=O;OKRXAJDZGCERGE-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154215;MM154215;C=NOC(=O)NC=CCC;BTCCYVLUGUZDOP-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154216;MM154216;N#CCON=CC(N)=O;QBTPFVQLBOVPTQ-UHFFFAOYSA-N;127.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154217;MM154217;O=c1ncn(O)n1O;CEOXCAVDNIBDPV-UHFFFAOYSA-N;117.06;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154218;MM154218;C=CCON=CC(=C)F;IDOGVVOQEFJQQL-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154219;MM154219;C=C(C)C(C)N(C)C=NO;BIUKNHHQUGUICG-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154220;MM154220;C=C(F)C=NOCC#N;UNGSMJCTKPQDJC-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154221;MM154221;C#CCCC=CC(=C)C;LVUYYVWTUISQBR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154222;MM154222;C#CCCC=CC(C)=O;CZXOGFIYWBPZHP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154223;MM154223;C#CCCC=CC(=N)N;PLWXNRPTFJFIKC-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154224;MM154224;N#CC(O)CC1(C=O)CN1;UQTYSTFTPLZEKT-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154225;MM154225;C#CCCC=CC(=O)O;UTCNBBGXSPKJLO-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154226;MM154226;C#CCNC=CC(C)=O;AQVZUTJODKRCGK-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154227;MM154227;C#CCNC=CC(=N)N;UWMFJIWNGPHHTH-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154228;MM154228;CC(O)(C=O)C=NN1CC1;GXIVCSLHRNAMBO-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154229;MM154229;C=Cn1c(O)cncc1=O;KLFRDYIRXAGQTJ-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154230;MM154230;C#CCOC=CC(=C)C;ZZAIJFDGYINZMU-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154231;MM154231;C#CCOC=CC(C)=O;HSYQCAVQMAHMGK-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154232;MM154232;ON=CC(F)=C(F)CF;QTHSOYMFESPFAJ-UHFFFAOYSA-N;139.08;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154233;MM154233;C#CCOC=CC(=C)F;WDXYNQOYWCEFMD-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154234;MM154234;C#CC(O)C(O)CON=C;DQCPGFSYRSKTPD-UHFFFAOYSA-N;143.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154235;MM154235;O=Cc1cc(F)n(O)n1;WQLOIVKKSXYHPP-UHFFFAOYSA-N;130.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154236;MM154236;C#CCCN(N)C(=O)NN;PAWGJRXVQGHWFE-UHFFFAOYSA-N;142.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154237;MM154237;C#CCON=CC(=C)C;WOBIPNXXJICKKP-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154238;MM154238;C#CCON=CC(=N)N;ZMAAAXRPNDBSHK-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154239;MM154239;C#CC=CN(C)C(=O)NN;NSIKZXNHYAGUIE-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154240;MM154240;CC=CCC=CC(C)C;UPWLNKYUPCHHBY-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154241;MM154241;CC(C)C=CCC=CF;OQIOXUHBRCFTSG-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154242;MM154242;CC=CCC=CC(C)N;RXJXNWXJNMGNDI-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154243;MM154243;CC(N)C=CCC=CF;BFFCQAXPWMBRQV-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154244;MM154244;CC=CCC=CC(C)F;LFNNXEFIVZTQAM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154245;MM154245;CC(C)C=CCC=NN;XXOOGUGMYDBWDG-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154246;MM154246;CC(C)C=CCC=NO;REURSWGQPOSTRP-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154247;MM154247;CC(F)C=CCC=NN;UBQQHBDVLAXOPL-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154248;MM154248;CN=CNC=CC(C)C;VITGVYRIORPAMP-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154249;MM154249;CC(C)C=CN=CNN;MCUBVAFGBYEKCM-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154250;MM154250;CC(O)C=CN=CNN;FTYACZDNZSRGPK-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154251;MM154251;CN=CNC=CC(C)F;MJXIIQSPWIKFPT-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154252;MM154252;ON=CNC=CC(F)F;HOJZFSDTAUVMMG-UHFFFAOYSA-N;136.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154253;MM154253;CC=COC=CC(C)C;NTDALFWHPAORIU-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154254;MM154254;CC=COC=CC(C)N;JVUVCQBQMDJCPC-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154255;MM154255;CC(N)C=COC=CF;WJRWKEWISAIYIA-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154256;MM154256;CC=COC=CC(C)O;VUNRLBFPDHNMTD-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154257;MM154257;CC=COC=CC(C)F;JDBODQULVIYXLL-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154258;MM154258;CC(F)C=COC=CF;HHVOGKVXYFUFLI-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154259;MM154259;CC=COC=CC(F)F;FHQWQCLHTBSJGN-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154260;MM154260;CNN=CNNC(=O)CO;KXDFTAIDWUCOSY-UHFFFAOYSA-N;146.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154261;MM154261;CC(O)C=COC=NO;KGJWVPDGYRULTH-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154262;MM154262;CC=CC(=NN)C(=O)NN;SSKIRZJVZSKHKK-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154263;MM154263;CC(F)C=COC=NO;DCXGGZAPDWTXNB-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154264;MM154264;CC=C(C(=O)NN)C(C)F;MKCOGUOOQOLESF-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154265;MM154265;CCCCCC(=NO)NC;XXIYBXKSOYJVCN-UHFFFAOYSA-N;144.22;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154266;MM154266;CCc1c[nH]c(CC#N)n1;WHPFQVHYKDXRIB-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154267;MM154267;C=CCc1cc(C=C)[nH]n1;HKYJBKZITKPZNT-UHFFFAOYSA-N;134.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154268;MM154268;C=NOC1CC1C(=O)NN;GBOVKGDXZPEQQO-UHFFFAOYSA-N;143.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154269;MM154269;O=CNNCC#CCCO;RRVMIEAFOBVLBO-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154270;MM154270;CNN=CC#CC#CCO;NPMUOESMUZXKAL-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154271;MM154271;CC(O)C=NOC=NO;NUSNHNNCZPGSLM-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154272;MM154272;C#CCNNC(C)=O;PFIKPFMZEBZKEW-UHFFFAOYSA-N;112.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154273;MM154273;CC=CN=CNC(C)C;CGIUTBRFJKXVLW-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154274;MM154274;CC(C)N=CNC=CF;YPTASOFZLUEPMA-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154275;MM154275;CC=CCN=CN(C)C;FLUFHZCAMAZGCC-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154276;MM154276;CN(C)C=NCC=CF;AVVJQYFNNDKTAX-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154277;MM154277;CN(C)C=NCC=NN;OWRGFVBVYBLVBY-UHFFFAOYSA-N;128.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154278;MM154278;CC=CCC=NN(C)C;OJBIYWCAGKRRJV-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154279;MM154279;CN(C)N=CCC=NN;FEMSSYKGBGMJSI-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154280;MM154280;CC=COC=NN(C)C;FRXIWEYBJHSMFF-UHFFFAOYSA-N;128.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154281;MM154281;CN(C)N=COC=CF;VHJVTOAZZDNQNI-UHFFFAOYSA-N;132.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154282;MM154282;C=C(C)C=CCC=CC;MREXFKOFGJYWMX-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154283;MM154283;CC=CCC=CC(C)=O;GUUFTBQLGJOXEM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154284;MM154284;CC(=O)C=CCC=CF;ASXWPKAIVZKHTQ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154285;MM154285;CC=CCC=CC(=N)N;ZEZZDSRKEKUOAC-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154286;MM154286;C=NN1CC(O)(C=O)C1;AFAGWEUKCLBMHA-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154287;MM154287;C=C(C=CF)C(=O)NN;LNPZWHQFNNLGAC-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154288;MM154288;CC=CCC=CC(=O)O;SODMOUXEPOJRRF-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154289;MM154289;C=C(F)C=CCC=CC;ALJAPVVNMDDVOS-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154290;MM154290;Cc1cc(NC=O)[nH]n1;NZLKISRPMUPIKR-UHFFFAOYSA-N;125.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154291;MM154291;C=C(C)C=CNC=NC;BJLQKEKWFRNNTF-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154292;MM154292;C=C(C)C=CN=CNN;AYBXDNXLBWKRJV-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154293;MM154293;N=C(N)C=CNC=NN;JZTHVUDSPPNBAT-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154294;MM154294;N=C(N)C=CN=CNO;GLIOAYOTJTZUTG-UHFFFAOYSA-N;128.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154295;MM154295;CN=CNC=CC(N)=O;HSJUCZVHSMTDSF-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154296;MM154296;CN=C1COC(NO)=N1;LUKSEBPLKUXIPU-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154297;MM154297;CC=NNC=CC(=N)N;MRLYBOYZBATYJU-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154298;MM154298;C=C(C)C=COC=CC;GWQGDMOHVJGRLC-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154299;MM154299;CC=COC=CC(C)=O;KLGMHTJRTHQYJV-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154300;MM154300;CC=COC=CC(=N)N;BOUDZWXTCJIXKJ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154301;MM154301;C=C(CO)NC(=O)NNC;GQORIKVFIDKMPH-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154302;MM154302;C=COC(CF)=NO;DUPBGQOBYIOTOI-UHFFFAOYSA-N;119.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154303;MM154303;C=C(F)C=COC=CC;MFIJWHDWIFWHAD-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154304;MM154304;C=C(F)C=COC=CF;FTLQQBSXJKROJC-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154305;MM154305;N=C(N)C=COC=NN;WUJGZHZGNCLRRP-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154306;MM154306;CC=CC(F)CC(=O)NN;IZIOHYUEYOWOTO-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154307;MM154307;C=C(F)C=COC=NO;SWOGECPSTUTHKO-UHFFFAOYSA-N;131.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154308;MM154308;CC=C(C)CN(C)C=NO;SJCAUYKUDCGMTR-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154309;MM154309;C=C(C)OC(=C)C(=O)NN;ANNUOIBDVVLRQQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154310;MM154310;CC=NN1CC(O)(C=O)C1;URPRNEQMAMLJDI-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154311;MM154311;CNNC(=O)NC=COC;JVPQMKRQSWCSMP-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154312;MM154312;CNNC(=O)N(C)CC=O;VUPODAVGNPJHGI-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154313;MM154313;Cc1nc(=N)[nH]c(=O)n1O;WGBSUFLHEFAJKY-UHFFFAOYSA-N;142.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154314;MM154314;CC(F)C(O)C(=NN)NN;IRRJZNYYVHLSKF-UHFFFAOYSA-N;150.16;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154315;MM154315;NC(=O)C=NOC=NO;MNYFIMHXMRRFJH-UHFFFAOYSA-N;131.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154316;MM154316;O=CCOC(CF)=NO;ZFPHPZWXRIVROB-UHFFFAOYSA-N;135.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154317;MM154317;C#CC=C1CN(N)C(=O)N1;SSQNDDJDMBGSSD-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154318;MM154318;CC=CN=CNC(C)=N;QRNOXTCXLXUMJH-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154319;MM154319;CC(=O)NC=NC=CF;RVFGJFKTZVGRAA-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154320;MM154320;CC=CN=CNC(=N)N;DPMOBVURHCFVFZ-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154321;MM154321;CNC(=O)COC(=O)NN;CVNIJYBTPUKKDH-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154322;MM154322;CC#CCC=CC(C)C;DAQUFCWLBHWKPK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154323;MM154323;CC#CCC=CC(C)N;CSXQJWSUVSPJNN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154324;MM154324;CC#CCN=CN(C)C;IFFRRLUNNBLIDD-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154325;MM154325;CC#CCC=NN(C)C;MZSLFCRCZOOALE-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154326;MM154326;C=C(C)C=CCC#CC;VIYPRDNTLMQYNI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154327;MM154327;CC#CCC=CC(C)=O;QOSRURGCTIMRCH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154328;MM154328;CC#CCC=CC(=N)N;ICOGCVUMDUMFQH-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154329;MM154329;CC#CCC=CC(=O)O;MNAABKVBOVXAJT-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154330;MM154330;C=C(F)C=CCC#CC;DAHUFJFDJCAVPE-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154331;MM154331;CCC=CC=CC(C)C;BMVMIMKOQHOZKP-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154332;MM154332;CC(C)C=CC=CCN;VAQHUQOHKIQQPU-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154333;MM154333;CC(C)C=CC=CCF;JKMDWJOXDFMAIB-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154334;MM154334;CCC=CC=CC(C)N;FISHZXPFZWBOFS-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154335;MM154335;CC(O)C=CC=CCO;GDFMZLKFSKGDPT-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154336;MM154336;CNC(=O)NNC(=N)CF;NYZVXFKWLYKZHH-UHFFFAOYSA-N;148.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154337;MM154337;CC(F)C=CC=CCN;SAWKYBHVHPJQFY-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154338;MM154338;CC(F)C=CC=CCF;WZBAQPNEJXLWDL-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154339;MM154339;CCC=CC=CC(F)F;FETJZDWMGYMUHX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154340;MM154340;COC=CC=CC(C)C;ADEYNIYCNPHNFG-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154341;MM154341;COC=CC=CC(C)N;QRAUCJGZUXHPJT-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154342;MM154342;C#CC(C)=CNC(=O)NN;FJANAYQAJIKTGJ-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154343;MM154343;CON=CC=CC(C)C;VWZZXRAWWUVXLH-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154344;MM154344;CON=CC=CC(F)F;DJOKUVXTQATJFQ-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154345;MM154345;CCC=NN=CC(C)C;VRKFAIQRJKWRGL-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154346;MM154346;CC(C)C=NN=CCO;VSVXESYAOUCKSX-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154347;MM154347;CCC=NN=CC(C)O;JAZAHHTYEZOWLP-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154348;MM154348;CC(O)C=NN=CCO;LTSBVDWELLFHSP-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154349;MM154349;C#CC1(C)CN1C(=O)NN;QTNMKMFAIQMVLZ-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154350;MM154350;CC(F)C=NN=CCO;YFNPBAUUBYCLMP-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154351;MM154351;COC=NN=CC(C)C;ZGFFEQKWZJFLIV-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154352;MM154352;COC=NN=CC(C)F;LFZUTOJUFSEIAC-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154353;MM154353;COC=NN=CC(F)F;IHGAYXGYYJXSDV-UHFFFAOYSA-N;136.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154354;MM154354;CCN=CN=CN(C)C;YADQESLVOHWBIR-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154355;MM154355;CCC=CC=NN(C)C;KTASRMGAFANBHO-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154356;MM154356;COC=CC=NN(C)C;PKIBNDMRUAKING-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154357;MM154357;C=CC=CC=CC(C)C;BHDYJLKZJAMZGB-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154358;MM154358;CC(C)C=CC=CC=O;LWFSGMOGTFTZDN-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154359;MM154359;CC(C)C=CC=CC#N;ZIFQUIHLGBRZBM-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154360;MM154360;C=CC=CC=CC(C)N;JDRQNHHIYLFDRU-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154361;MM154361;N#CC(O)CC1(CO)CN1;DNPCGSLUDOCISH-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154362;MM154362;C=CC1(CC(O)C#N)CN1;CULWSCPNJWTRQA-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154363;MM154363;C=CC=CC=CC(C)F;SHFVMWLCKREMDF-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154364;MM154364;CC(F)C=CC=CC=O;UPEOLFUFHUQBHZ-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154365;MM154365;CC(F)C=CC=CC#N;KLLXSJDLODIDFM-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154366;MM154366;C=CC=CC=CC(F)F;SBGPUUFKYMKUJM-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154367;MM154367;O=CC=CC=CC(F)F;HIAAZTDNEQJRAG-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154368;MM154368;C=NN=CC=CC(C)C;HWJZXXDGIPJXJL-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154369;MM154369;C=NN=CC=CC(C)N;FLBHGJPNFKOEGF-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154370;MM154370;C=NN=CC=CC(C)O;WXYRVIDIGIXERZ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154371;MM154371;C=NN=CC=CC(C)F;GAILYPUURDCSSI-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154372;MM154372;C=CC=NN=CC(C)C;YRVDNIOWGWNEMJ-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154373;MM154373;CC(C)C=NN=CC=O;DZCCNVMEIDSGFU-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154374;MM154374;CC(C)C=NN=CC#N;LGYZNGGPYVJZGN-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154375;MM154375;C=CC=NN=CC(C)O;UWQPTCFZOBHASL-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154376;MM154376;CC(O)C=NN=CC#N;YRCJWYNZUCLVCW-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154377;MM154377;C=C(C(=O)NN)C(F)CC;ZEKGNZVDJXUIEU-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154378;MM154378;CC(F)C=NN=CC=O;HXYVYAPAHXNCLT-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154379;MM154379;CC(F)C=NN=CC#N;XTCQFMQGSWFGJD-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154380;MM154380;N#CC=NN=CC(F)F;RYRIODHEHSNBJQ-UHFFFAOYSA-N;131.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154381;MM154381;CN(C)C=NC=CC=O;JMPDYKTWCWGDIY-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154382;MM154382;CN(C)C=NC=CC#N;AUITZDNXBBXJPY-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154383;MM154383;C=CC=NN=CN(C)C;JJAACMVOAGIJSN-UHFFFAOYSA-N;125.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154384;MM154384;CCNNC(=O)N(C)C=N;BKRBKAIFMCOUHK-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154385;MM154385;C=NN=CC=NN(C)C;YRQWKCSMMFSGHZ-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154386;MM154386;C#CC=CC=CC(C)C;QWXPUHCZXHGHDX-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154387;MM154387;C#CC=CC=CC(C)N;RDSHPSUBEKGQIW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154388;MM154388;C=C(COC=O)C(=O)NN;AATCDGMLFVDZJT-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154389;MM154389;C#CC=CC=CC(C)F;PNTVINXMQKBWFM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154390;MM154390;C#CC=CC=CC(F)F;XAOTUJQULVFLJX-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154391;MM154391;C#CC=NN=CC(C)C;YQXSHOUPYZJBIK-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154392;MM154392;C#CC=NN=CC(C)O;KJIMFBOFBMAZEX-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154393;MM154393;C#CC=NN=CC(C)F;ZNKQKEXSSHWWKL-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154394;MM154394;C#CC=NN=CC(F)F;SAALBSCXYGDUCW-UHFFFAOYSA-N;130.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154395;MM154395;C#CC=NN=CN(C)C;CVRGWALMRRNGLA-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154396;MM154396;C=C(C)C=CC=CCC;GUBXOAIPGYTBSK-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154397;MM154397;C=C(C)C=CC=CCN;RUTQUBZBWGAVIR-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154398;MM154398;C=C(C)C=CC=CCO;BGCHMLMVGTVAKQ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154399;MM154399;C=C(C)C=CC=CCF;ONSXDTXLDPNAMS-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154400;MM154400;CCC=CC=CC(C)=O;LWRKMRFJEUFXIB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154401;MM154401;CC(=O)C=CC=CCF;XQJGRMLENWQWFP-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154402;MM154402;CCC=CC=CC(=N)N;LZVPHSYBDMCDHJ-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154403;MM154403;N=C(N)C=CC=CCN;LJIVXHQOEJLQEU-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154404;MM154404;N=C(N)C=CC=CCO;QYHGGAYFSGIPLC-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154405;MM154405;N=C(N)C=CC=CCF;IGBZLLNUIWADKQ-UHFFFAOYSA-N;128.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154406;MM154406;CN(CC=CF)C(=O)NN;TYTYIUHHGFJKDO-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154407;MM154407;C=C(OC=CC)C(=O)NN;RWLMQXXPDRJYRV-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154408;MM154408;CON=CNCC(=O)NN;UANKDMJGYQHKPE-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154409;MM154409;CCC=CC=CC(=O)O;GYTGOLDQGRPDNF-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154410;MM154410;O=C(O)C=CC=CCF;LCPZGQFTXSJUKY-UHFFFAOYSA-N;130.12;1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154411;MM154411;C=C(F)C=CC=CCC;WIMHHRXLJMUAIG-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154412;MM154412;C=C(C)C=CC=COC;PPFVUKRFYLWBGR-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154413;MM154413;COC=CC=CC(C)=O;GKOYDHRLSPKRBT-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154414;MM154414;COC=CC=CC(=N)N;BEFGHDGQGXJWDX-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154415;MM154415;ON=CC(C=C(F)F)=NO;QPKDGROBCOPARE-UHFFFAOYSA-N;150.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154416;MM154416;C=C(F)C=CC=COC;QNVMLNCYNQTGBH-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154417;MM154417;CON=CC=CC(=N)N;YPFQUKWSALDOTF-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154418;MM154418;C#CC(NN=C)C(=O)C#N;VCVHPAJGAXIBHO-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154419;MM154419;C=C(C)C=NN=CCC;IBYAFHIRAONATD-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154420;MM154420;C=C(C)C=NN=CCO;MRTCMPCVHFDBQS-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154421;MM154421;C=CN(C(C)=N)C(=O)NN;KCYUBEWDSAUSFM-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154422;MM154422;CCC=NN=CC(=N)N;PWCXKEBNDNMYFE-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154423;MM154423;COn1ccc(O)n1;MNDMJKNRVMXUFP-UHFFFAOYSA-N;114.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154424;MM154424;Cn1cnc(=O)n(O)c1=N;VERWRSBLLASVFP-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154425;MM154425;C=C(F)C=NN=CCO;LYEQXHHMZPQMRN-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154426;MM154426;C=C(C)C=NN=COC;ATAKTBZATBXUBF-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154427;MM154427;COC=NN=CC(C)=O;ZROIGVPSBACXBU-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154428;MM154428;CNc1noc(O)c1N;RYAGOEKAAVNZDL-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154429;MM154429;C=C(F)C=NN=COC;BLVLKLUCUZTYJB-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154430;MM154430;C=C(C)C=CC=CC=O;ZJKSPUTXPOPMOE-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154431;MM154431;C=C(C)C=CC=CC#N;QMDUMUAAOKHHIC-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154432;MM154432;C=CC=CC=CC(C)=O;VVESGAVBPKZWHK-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154433;MM154433;CC(=O)C=CC=CC#N;MXZFBOJGTSNUIS-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154434;MM154434;C=CC=CC=CC(=N)N;YBWQTKZKPOZMLM-UHFFFAOYSA-N;122.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154435;MM154435;C#CC(C=O)CNNC=O;VJFHAICDEASNPG-UHFFFAOYSA-N;140.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154436;MM154436;C=CC=CC=CC(=O)O;FUCUVXOXNOUYJN-UHFFFAOYSA-N;124.14;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154437;MM154437;N#CC=CC=CC(=O)O;IZRBYWRHSHSUCQ-UHFFFAOYSA-N;123.11;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154438;MM154438;C=C(F)C=CC=CC=O;SOQDHKINTLGPEF-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154439;MM154439;C=C(F)C=CC=CC#N;GTRWIHXDLCBCHB-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154440;MM154440;C=NN=CC=CC(=C)C;ONMFZKUAVMKSAA-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154441;MM154441;CNC1=NN=C(NN)NO1;XRYNGPMAANRSHU-UHFFFAOYSA-N;144.14;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154442;MM154442;C=NN=CC=CC(=N)N;BCMKWHDJKVDWNP-UHFFFAOYSA-N;124.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154443;MM154443;CC1N(N)C(=O)C1(C)O;CLNILWKWEUQUGB-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154444;MM154444;C=CC=NN=CC(=C)C;OUFIBSCAPVXCCX-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154445;MM154445;C=C(C)C=NN=CC=O;OKMJLGVREALHNL-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154446;MM154446;C=C(C)C=NN=CC#N;FQHUUBMUTIMOSN-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154447;MM154447;CNC(=O)CC(=O)NN;ADDJRSWTAGJWTK-UHFFFAOYSA-N;131.14;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154448;MM154448;CC(=O)C=NN=CC=O;HTIADBFFDQHTNM-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154449;MM154449;CC(=O)C=NN=CC#N;PXHGFIDNBGCFPC-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154450;MM154450;NC(N)=C(F)C(CO)=NO;PPXZMIMHJLPLAP-UHFFFAOYSA-N;149.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154451;MM154451;Cc1c(F)c(O)c(F)n1N;DPZAPTHSNAWTMQ-UHFFFAOYSA-N;148.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154452;MM154452;C=CC=NN=CC(=C)F;OOBOSZZCPPCWHK-UHFFFAOYSA-N;126.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154453;MM154453;C=C(F)C=NN=CC#N;FCSLBQAAUGWTAC-UHFFFAOYSA-N;125.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154454;MM154454;C#CC=CC=CC(C)=O;YLQOANNUQVLDGK-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154455;MM154455;C#CC=CC=CC(=N)N;NJYDPTVEVPUEHB-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154456;MM154456;C#CC=CC=CC(=O)O;NRSYKZXCZGHDIU-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154457;MM154457;C#CC=CC=CC(=C)F;CEFKYHFHWQKTKX-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154458;MM154458;C#CC=NN=CC(=C)C;WSIFQELWLCLQCZ-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154459;MM154459;C#CC=NN=CC(C)=O;SNAPLVSHQHHATH-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154460;MM154460;Cc1c(F)n(O)c(=O)n1N;NPGVFZQROKTTFL-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154461;MM154461;CCC#CC=CC(C)C;MJQSRVNSUGZDMW-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154462;MM154462;CC(C)C=CC#CCN;AQUZQXOWTIYEAQ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154463;MM154463;CC(C)C=CC#CCO;RTELCBMNXVCLKE-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154464;MM154464;CC(C)C=CC#CCF;SACUXILVUVUEAM-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154465;MM154465;CCC#CC=CC(C)N;NLYVAYSDMVBBRG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154466;MM154466;CC(N)C=CC#CCF;NLBWZQNQKLFNLX-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154467;MM154467;CCC#CC=CC(C)O;PZYBYKRNJPJZKV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154468;MM154468;CC(O)C=CC#CCF;QGZCVGNKJGBNAZ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154469;MM154469;CCC#CC=CC(C)F;PFOAIMFCBHPJPO-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154470;MM154470;CC(F)C=CC#CCN;VZTASKMIMJEMJE-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154471;MM154471;CC(F)C=CC#CCO;ZXEXOUHHCMVKLO-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154472;MM154472;CC(F)C=CC#CCF;FXOTXPLDWRCFFT-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154473;MM154473;CCC#CC=CC(F)F;QUUFWTMIBCVJSS-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154474;MM154474;NCC#CC=CC(F)F;YNTLZXTYOFVDNO-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154475;MM154475;FCC#CC=CC(F)F;YXWWQOJVDZHEFZ-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154476;MM154476;CCC#CC=NN(C)C;IJBUSFRYXWGMIB-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154477;MM154477;CN(C)N=CC#CCN;XAVFINBZEQQRSR-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154478;MM154478;CN(C=NN)C(=O)NN;ARSODBSDUVLZNQ-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154479;MM154479;CN(C)N=CC#CCF;PDVGZYSUPSGBHG-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154480;MM154480;C=CC#CC=CC(C)C;NNDYFUNZXMZAOZ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154481;MM154481;CC(C)C=CC#CC=O;QQCAWHYCSPASII-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154482;MM154482;C=CC#CC=CC(C)N;UQHFPGDRSKJBDP-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154483;MM154483;C=CC#CC=CC(C)O;IOWIOQLDMJVOJN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154484;MM154484;CC(O)C=CC#CC#N;YCVIDOBDRYQSOX-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154485;MM154485;C=CC#CC=CC(C)F;PKXCHYAWNCQCLN-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154486;MM154486;CC(F)C=CC#CC=O;PQZYXUOFTUELSV-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154487;MM154487;CC(F)C=CC#CC#N;YEUJRKBIZQMZIG-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154488;MM154488;C=CC#CC=CC(F)F;HBMQNQZDIJLYSF-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154489;MM154489;O=CC#CC=CC(F)F;BBQOEPHXGXPJES-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154490;MM154490;N#CC#CC=CC(F)F;DFKCJHXUOGSQOI-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154491;MM154491;C=CC#CC=NN(C)C;BNEIWZBRCQKONB-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154492;MM154492;CN(C)N=CC#CC=O;COVOXGNTILKWJI-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154493;MM154493;CN(C)N=CC#CC#N;JKDWEGVCKRCXAN-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154494;MM154494;C#CC#CC=CC(C)C;RSRMWVSWZOJVRG-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154495;MM154495;C#CC#CC=CC(C)N;KVYVYZZPWJHBHW-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154496;MM154496;C#CC#CC=CC(C)O;HSVMEBZTVZHWJS-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154497;MM154497;C#CC#CC=CC(C)F;MSUKUETWSSXDHQ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154498;MM154498;C#CC#CC=CC(F)F;BQYGIZOPOGAMIK-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154499;MM154499;C#CC#CC=NN(C)C;NKFINLQAYCPOIX-UHFFFAOYSA-N;120.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154500;MM154500;C=C(C)C=CC#CCC;JIGIKFQTNZGFFZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154501;MM154501;C=C(C)C=CC#CCN;OKVPJNORJOFAQR-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154502;MM154502;C=C(C)C=CC#CCO;SNGHQZRHRCXPME-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154503;MM154503;C=C(C)C=CC#CCF;QBQVLPMMLCTCAA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154504;MM154504;CCC#CC=CC(C)=O;GZYAEOOQYFTGKG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154505;MM154505;CC(=O)C=CC#CCF;MAHQDKJQXXPVCV-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154506;MM154506;CCC#CC=CC(=N)N;ULDPMWQXMQNGSG-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154507;MM154507;N=C(N)C=CC#CCO;MVAKZEARTWKXKA-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154508;MM154508;C#CC(C)(O)CNNC=O;LEVIIDJMZBNWOV-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154509;MM154509;NCC#CC=CC(N)=O;BUCCEIKEHHOZNW-UHFFFAOYSA-N;124.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154510;MM154510;NC(=O)C=CC#CCO;IAZSTECFDDOFAU-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154511;MM154511;CC1(C)NC1CC(O)C#N;INEGHGUFXYUZAH-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154512;MM154512;CCC#CC=CC(=O)O;XBDGYYIIPHJTDQ-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154513;MM154513;O=C(O)C=CC#CCF;HKLBOHRNYWXQQM-UHFFFAOYSA-N;128.1;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154514;MM154514;C=C(F)C=CC#CCC;JHZJNXNZKGYLKM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154515;MM154515;C=C(F)C=CC#CCN;JIAXQRJOSWAZAO-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154516;MM154516;C=C(F)C=CC#CCO;SRGXOZHTDHUGJH-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154517;MM154517;C=C(F)C=CC#CCF;HSDOGVRBHYFOND-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154518;MM154518;C=CC#CC=CC(=C)C;HRRQHWYWENNFNM-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154519;MM154519;C=C(C)C=CC#CC=O;GLIIKINTFGKJNJ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154520;MM154520;C=C(C)C=CC#CC#N;FGWJBKDBHKDHCN-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154521;MM154521;C=CC#CC=CC(C)=O;WBPQXMWIETVWBW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154522;MM154522;CC(=O)C=CC#CC=O;VTGPEJPYMOYJTP-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154523;MM154523;CC(=O)C=CC#CC#N;MMGRTXRONQDFKZ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154524;MM154524;C=CC#CC=CC(=N)N;SFKWOKMZFTZNKM-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154525;MM154525;N#CC#CC=CC(=N)N;XBPNPDYFZRQLPF-UHFFFAOYSA-N;119.13;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154526;MM154526;N#CC#CC=CC(N)=O;DCWLVXOHLNQQKR-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154527;MM154527;C=CC#CC=CC(=O)O;QZYHHLXYEUUULF-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154528;MM154528;Nc1nc(=O)cn[nH]1;OWAYVVLCHUWASK-UHFFFAOYSA-N;112.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154529;MM154529;N#CC#CC=CC(=O)O;SAWUKIFYORHBSA-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154530;MM154530;C=CC#CC=CC(=C)F;LHFDZRUYHLAFNI-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154531;MM154531;C=C(F)C=CC#CC=O;BBUUZNYCCCPROG-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154532;MM154532;C=C(F)C=CC#CC#N;WPNIIFOKLPBOHB-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154533;MM154533;C#CC#CC=CC(=C)C;PVHWSYXFSFBHDQ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154534;MM154534;C#CC#CC=CC(C)=O;MUQUFZCLEBKLLR-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154535;MM154535;C#CC#CC=CC(=N)N;OULCDOBWTMPXKW-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154536;MM154536;CNNC(=O)OCC(C)F;NJIGYJHTHUTVDR-UHFFFAOYSA-N;150.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154537;MM154537;C#CC#CC=CC(=O)O;MGUKJDQHABMOHA-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154538;MM154538;C#CC#CC=CC(=C)F;RKMKYLKLNTWBQI-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154539;MM154539;CCCCC#CC(C)C;VGZZDWCLCYQULT-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154540;MM154540;CC(C)C#CCCCN;ZDYNYNBHUDGWNK-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154541;MM154541;CC(C)C#CCCCF;JUFQHUYWSXJFBZ-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154542;MM154542;CCCCC#CC(C)O;RRRODBVLAIUQDT-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154543;MM154543;CC(O)C#CCCCF;HAPIKCRCHQOAOO-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154544;MM154544;CCCCC#CC(C)F;CAMJSAPXPHRNMW-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154545;MM154545;CC(F)C#CCCCF;VHXMGCZUFSTVHQ-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154546;MM154546;CCCCC#CC(F)F;AUZRNWCBUYZIDJ-UHFFFAOYSA-N;132.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154547;MM154547;NCCCC#CC(F)F;RSZVEJXYBPJAHO-UHFFFAOYSA-N;133.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154548;MM154548;CNCCC#CC(C)C;MCHCRHDGMRWGRS-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154549;MM154549;CNCCC#CC(F)F;VTPWMMNUAZOXIX-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154550;MM154550;COCCC#CC(C)C;JQYSSZLAKXCRKX-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154551;MM154551;COCCC#CC(C)F;YQEUVNGVTIYVHX-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154552;MM154552;COCCC#CC(F)F;BQKOQNSCTLMQLO-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154553;MM154553;CCNCC#CC(C)C;VHRVIGDHKBQDMD-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154554;MM154554;CCNCC#CC(C)F;CABZMYFCFFFWED-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154555;MM154555;CCNCC#CC(F)F;RXKIIYVIVQICQD-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154556;MM154556;CCOCC#CC(C)C;WOEOORJYIWDRKF-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154557;MM154557;CCOCC#CC(C)F;MDAKNOVGMQQERF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154558;MM154558;CCOCC#CC(F)F;GJHNRRLMHLIABS-UHFFFAOYSA-N;134.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154559;MM154559;C=CCCC#CC(C)C;SJYVDYRTMVHHTB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154560;MM154560;C=CCCC#CC(C)N;DPJMQHCHZAFHQX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154561;MM154561;C=CCCC#CC(C)O;FQBRDVGHRCTMCA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154562;MM154562;CC(O)C#CCCC#N;DRMCAJXHWQOKQB-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154563;MM154563;CC(F)C#CCCC=O;PRHXEKLNQQPTHV-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154564;MM154564;CC(F)C#CCCC#N;VLIZDZITYZCXLU-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154565;MM154565;C=CCCC#CC(F)F;AYTRXAXJKCHHLI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154566;MM154566;N#CCCC#CC(F)F;YLXNYFNFOHCEON-UHFFFAOYSA-N;129.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154567;MM154567;CC(C)C#CCNC=N;OWFQTQBWINRIJI-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154568;MM154568;CC(C)C#CCNC=O;AAIHWHGLVCKBGZ-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154569;MM154569;CC(O)C#CCNC=O;PXAKLLGSEDZUPY-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154570;MM154570;O=CNCC#CC(F)F;NXNGQESJHWSNFW-UHFFFAOYSA-N;133.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154571;MM154571;CC1NC1(C)CC(O)C#N;LGOZVVRPBQVGKD-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154572;MM154572;CN1CC1(C)CC(O)C#N;MXUUQUYNUZLAQB-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154573;MM154573;C=COCC#CC(C)C;QXZAIWASZBBSPV-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154574;MM154574;C=COCC#CC(C)F;NSPCSSFYEXPDRR-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154575;MM154575;C=COCC#CC(F)F;XFOHOELTLPXVPB-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154576;MM154576;O=COCC#CC(F)F;RKBKUCPNZUTVAA-UHFFFAOYSA-N;134.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154577;MM154577;C#CCCC#CC(C)C;XQZKDIUNUZCERD-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154578;MM154578;C#CCCC#CC(C)N;ASUJBSRXKITGOM-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154579;MM154579;C#CCCC#CC(C)O;RMDCIEJWEJPLQH-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154580;MM154580;C#CCCC#CC(C)F;QOFCEKNQJLZRGQ-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154581;MM154581;C#CCCC#CC(F)F;YTMWZNUNDPFGLP-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154582;MM154582;C=C(C)C#CCCCC;FPKTZBDAOSTAHN-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154583;MM154583;CCCCC#CC(C)=O;VJKHTMGYHCBXHV-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154584;MM154584;CCCCC#CC(=N)N;ALSLOBHDGLRKMW-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154585;MM154585;N=C(N)C#CCCCN;BIWFOKBCGVTJDS-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154586;MM154586;N=C(N)C#CCCCO;IQDCFQUWQWCVAW-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154587;MM154587;CCCCC#CC(N)=O;IJKJMNOJSYDDMT-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154588;MM154588;NCCCC#CC(N)=O;PMLZQDBAGQBOOU-UHFFFAOYSA-N;126.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154589;MM154589;NC(=O)C#CCCCO;BDLHIDYDRVEQLO-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154590;MM154590;CCCCC#CC(=O)O;UEERQXQKEJPYBR-UHFFFAOYSA-N;126.16;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154591;MM154591;C=C(F)C#CCCCC;QUXCZPAYRDQNOW-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154592;MM154592;CNCCC#CC(C)=O;CVPXBCOHXKGOMM-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154593;MM154593;CNCCC#CC(=N)N;GPBGBGJTSUKXAC-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154594;MM154594;CNCCC#CC(N)=O;GVEGGBDHKGAHAS-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154595;MM154595;C=C(C)C#CCCOC;FWUJVOOTADOGSI-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154596;MM154596;COCCC#CC(C)=O;YFHGBKYMNAPLMN-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154597;MM154597;CCNCC#CC(=N)N;ORDLHGBIAGAWQF-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154598;MM154598;CCNCC#CC(N)=O;TZORWHDQZNMOMB-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154599;MM154599;C=C(C)C#CCOCC;GOSTVMOXCJDJFJ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154600;MM154600;CCOCC#CC(C)=O;YFZVRAUGFVJXRQ-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154601;MM154601;NNc1n[nH]c(O)c1N;DFJDTILCLFNZAU-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154602;MM154602;C=C(F)C#CCOCC;KEHAYZJYFTUJSI-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154603;MM154603;C=CCCC#CC(=C)C;BYJUJFGEASTMPO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154604;MM154604;C=C(C)C#CCCC=O;LRAQFJYLTAKMSN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154605;MM154605;C=C(C)C#CCCC#N;HFEJPPQRGPLBFY-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154606;MM154606;C=CCCC#CC(C)=O;GNJNLPOUDJLWMI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154607;MM154607;CC(=O)C#CCCC=O;GSXDRSASRQKHGB-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154608;MM154608;CC(=O)C#CCCC#N;WOABQIXZAKNGHY-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154609;MM154609;C=CCCC#CC(=N)N;IQYJBLUNJZTRAZ-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154610;MM154610;C=CCCC#CC(N)=O;OSLVHHRSWQPGOV-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154611;MM154611;NC(=O)C#CCCC=O;JNRCHJVYPUOSOK-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154612;MM154612;C=CCCC#CC(=O)O;JXJPTUPMFFHXQM-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154613;MM154613;N#CCCC#CC(=O)O;OXGGUBTWTHEHBN-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154614;MM154614;C=CCCC#CC(=C)F;UUFRIYBEBBDIOW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154615;MM154615;C=C(F)C#CCCC=O;ULUPVBGUJZUXJN-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154616;MM154616;C=C(F)C#CCCC#N;OOMCWYDFMHBGLZ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154617;MM154617;CC(=O)C#CCN=CN;FDVPSLVURAJDJL-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154618;MM154618;CC(=O)C#CCNC=O;SJUJIWZZUNLFDZ-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154619;MM154619;N=CNCC#CC(=N)N;NRZUMDIFLHYAKT-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154620;MM154620;N=C(N)C#CCNC=O;JNGCAQZEDROTLA-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154621;MM154621;N=CNCC#CC(N)=O;FAWRCXQMIJKMPE-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154622;MM154622;NC(=O)C#CCNC=O;HELKDKJVTMDAND-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154623;MM154623;Nn1[nH]c(O)nc1=NO;CKJRPRFRPYLFLN-UHFFFAOYSA-N;131.1;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154624;MM154624;CNNC(=O)OCCC=O;YHUQTDMMPXEYRA-UHFFFAOYSA-N;146.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154625;MM154625;C=CCC(=C)CNC=NO;SWWVIMPTAMBSMC-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154626;MM154626;Cc1cn(O)c(O)nc1=N;XPBSVDUQHNRYQT-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154627;MM154627;N#CC(CO)C(=O)C(=N)N;FOPJGRGHLDAEML-UHFFFAOYSA-N;141.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154628;MM154628;C=COCC#CC(=C)C;XHBIJNOSRWUBDA-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154629;MM154629;C=C(C)C#CCOC=O;IQDPYUSFFNHLKX-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154630;MM154630;C=COCC#CC(C)=O;WGOCUERBWNVJQM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154631;MM154631;N=C(N)C#CCOC=O;LHRCXFJGFGPURP-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154632;MM154632;NC(=O)C#CCOC=O;LVECCODBOOBFTI-UHFFFAOYSA-N;127.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154633;MM154633;CN=c1nc[nH]c(=NC)o1;PJBFMUZPYVMUDR-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154634;MM154634;C=NOCC#CC(=C)C;VMMIBGVGPJGYKC-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154635;MM154635;C=NOCC#CC(=N)N;STPPRNCRLCPERB-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154636;MM154636;C=NOCC#CC(=C)F;CRMGJGUPZOAGLR-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154637;MM154637;C#CCCC#CC(=C)C;RTBQZFSEFJAAGG-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154638;MM154638;C#CCCC#CC(C)=O;PJMYLECGQLRDCE-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154639;MM154639;C#CCCC#CC(=N)N;JBBREMJVXAHWSG-UHFFFAOYSA-N;120.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154640;MM154640;C#CCCC#CC(N)=O;AVFDIQJAVMZQHV-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154641;MM154641;C#CCCC#CC(=O)O;FGTXDRAXRDFNEU-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154642;MM154642;C#CCCC#CC(=C)F;LHFZLSGHCTZFJA-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154643;MM154643;CC=CCC#CC(C)C;GVQLLXTVUDRMNK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154644;MM154644;CC(C)C#CCC=CF;HQKSMKAEHMCPSR-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154645;MM154645;CC=CCC#CC(C)N;NTEBVXRKIZBPBQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154646;MM154646;CC(N)C#CCC=CF;ALILPHBZGGOSSS-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154647;MM154647;CC=CCC#CC(C)O;OHPDPGSDCLPSTB-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154648;MM154648;CC=CCC#CC(C)F;BWXVMNFJEGTJAS-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154649;MM154649;CC(F)C#CCC=CF;GRTAELPHOLNDDI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154650;MM154650;CC=CCC#CC(F)F;GLEZWDJERAXAEG-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154651;MM154651;FC=CCC#CC(F)F;XJZWZZVSIKVSDD-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154652;MM154652;CC(C)C#CCC=NN;HVVKWVVRJNDJEA-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154653;MM154653;CC(C)C#CCC=NO;JIKHVWNLXBXQSD-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154654;MM154654;CC(=O)NNC(CO)CO;OUDMZYOPNFFLQJ-UHFFFAOYSA-N;148.16;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154655;MM154655;CC(F)C#CCC=NN;VJUDZMIHXPTJJP-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154656;MM154656;CC(F)C#CCC=NO;QSEUAVTUMYVUBO-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154657;MM154657;C=C(C)C#CCC=CC;KFYPWWVJNXAKKX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154658;MM154658;CC=CCC#CC(C)=O;YYAFIVMDSNORJW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154659;MM154659;CC(=O)C#CCC=CF;LTQBPNSOECOIBA-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154660;MM154660;CC=CCC#CC(=N)N;QHEAEZROKBFMQB-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154661;MM154661;CC=CCC#CC(N)=O;QMVGXKWUCCGJNY-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154662;MM154662;CC=CCC#CC(=O)O;DHCSRBYNJXQPSW-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154663;MM154663;O=C(O)C#CCC=CF;NVWKHVUAJKFSFL-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154664;MM154664;C=C(F)C#CCC=CC;HQPPYZSBIJVFQC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154665;MM154665;C=C(F)C#CCC=CF;OIAUFXIAGXQNSJ-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154666;MM154666;C=C(C)C#CCC=NN;XTLALYCMBZLPKP-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154667;MM154667;C=C(C)C#CCC=NO;DJEFQPRMLGFSSZ-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154668;MM154668;N=C(N)C#CCC=NN;BDZIAQYAUVEZHJ-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154669;MM154669;N=C(N)C#CCC=NO;DLVBHTLWAGACDU-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154670;MM154670;NC(=O)C#CCC=NO;MWXXIGAXULOVBA-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154671;MM154671;C=C(F)C#CCC=NO;LVFIUYQEJJYKNX-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154672;MM154672;CC#CCC#CC(C)C;JQLRXRQHYUXXOY-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154673;MM154673;CC#CCC#CC(C)N;VXAZPAFBFLOYNW-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154674;MM154674;CC#CCC#CC(C)O;ACFWCWCICSMNLU-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154675;MM154675;CC#CCC#CC(C)F;KOWHVXHOKSIUOY-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154676;MM154676;CC#CCC#CC(F)F;IEQCMCRRUSODAK-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154677;MM154677;C=C(C)C#CCC#CC;GUQDRMQAGACNRM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154678;MM154678;CC#CCC#CC(C)=O;ZOMAJMOZCGSNCF-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154679;MM154679;CC#CCC#CC(=N)N;YSIKWLTZUFCBPJ-UHFFFAOYSA-N;120.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154680;MM154680;CC#CCC#CC(N)=O;AAIDGWYKIPWICL-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154681;MM154681;CC#CCC#CC(=O)O;ARZZWROLGYWUNO-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154682;MM154682;C=C(F)C#CCC#CC;CRURJBKPOOPPLI-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154683;MM154683;CCC=CC#CC(C)C;KMMQECRSNKVSBJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154684;MM154684;CC(C)C#CC=CCO;VLYZDJCDNUOICU-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154685;MM154685;CC(C)C#CC=CCF;XWQZCYNHXCBZNG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154686;MM154686;CCC=CC#CC(C)N;GXYMWUUGSWUCAW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154687;MM154687;CCC=CC#CC(C)O;QXIYBRYMBARTSK-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154688;MM154688;CCC=CC#CC(C)F;SXAQKTDJHCASAS-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154689;MM154689;CC(F)C#CC=CCN;VAFFWCJFQLWRFR-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154690;MM154690;CC(F)C#CC=CCO;MEXUQYXXJBSVBN-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154691;MM154691;CC(F)C#CC=CCF;XNDDNVBTHBMZIW-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154692;MM154692;COC=CC#CC(C)C;DNXVKQJHIJOKQC-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154693;MM154693;COC=CC#CC(C)N;AFRDRVWRLUOSGX-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154694;MM154694;CC(C)C=CC(=NO)NN;WTQMTSBKSPYNNQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154695;MM154695;CON=CC#CC(C)C;DMXGOXVVMJHHMM-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154696;MM154696;CON=CC#CC(C)N;RTJWEWDZHKUARK-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154697;MM154697;CON=CC#CC(C)F;JFMXNBNKMYPCMC-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154698;MM154698;N=C(NNC=O)C(F)=CF;UMLBJWYRPKYDJF-UHFFFAOYSA-N;149.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154699;MM154699;C=CC=CC#CC(C)C;OBZDKMYFTFREND-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154700;MM154700;CC(C)C#CC=CC=O;AJKAUMMLCWRHNZ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154701;MM154701;C=CC=CC#CC(C)N;BVKDLLNNFIOLCP-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154702;MM154702;C=CC=CC#CC(C)O;SIULFUJVTCCEAA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154703;MM154703;C=CC=CC#CC(C)F;DLOREMNUGKGRES-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154704;MM154704;CC(F)C#CC=CC=O;DCPBPLWLNPKBNN-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154705;MM154705;CC(F)C#CC=CC#N;XSCUELDMQLEIAJ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154706;MM154706;C=CC=CC#CC(F)F;ZPIDGVVAVPCFGH-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154707;MM154707;O=CC=CC#CC(F)F;DHKCZPFDELIBMF-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154708;MM154708;N#CC=CC#CC(F)F;RGAPILKEFRVRTM-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154709;MM154709;C=NN=CC#CC(C)C;DCVIYWNGJRPNOY-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154710;MM154710;C=NN=CC#CC(C)N;FDUHYTTVNZGUKQ-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154711;MM154711;C=NN=CC#CC(C)O;YDLYSONYAAAJNI-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154712;MM154712;C=NN=CC#CC(F)F;UZQLUVWJTVEKQK-UHFFFAOYSA-N;130.1;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154713;MM154713;C#CC=CC#CC(C)C;XHSZDWNUIRBVBX-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154714;MM154714;C#CC=CC#CC(C)N;TVFXQJOHNNYHBP-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154715;MM154715;C#CC=CC#CC(C)O;OBENKHFWPOYFOJ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154716;MM154716;C#CC=CC#CC(C)F;BCEZGJRCSMSWGE-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154717;MM154717;C#CC=CC#CC(F)F;MYICJCCONUCIPV-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154718;MM154718;C=C(C)C#CC=CCC;XYFGLINTMBUKOB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154719;MM154719;C=C(C)C#CC=CCN;JKLVPMHCMWGDQE-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154720;MM154720;CCC=CC#CC(C)=O;MIZWUFCHEIMANS-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154721;MM154721;CC(=O)C#CC=CCF;BMKRFQIXAFHEAD-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154722;MM154722;CCC=CC#CC(=N)N;QFDGCXAZHCBDGG-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154723;MM154723;N=C(N)C#CC=CCN;RKWDBYTZTDKZRU-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154724;MM154724;N=C(N)C#CC=CCO;ZISDIYJPBRVRDF-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154725;MM154725;CCC=CC#CC(N)=O;JLNMCNOHVUZVCO-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154726;MM154726;NC(=O)C#CC=CCO;BDNDNSMJKQZYCA-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154727;MM154727;CCC=CC#CC(=O)O;PWWKDJAZYXFYKM-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154728;MM154728;C=C(F)C#CC=CCC;ULHJTBVEKPPHRV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154729;MM154729;O=c1occn1O;YDFDSQKPUNTLMY-UHFFFAOYSA-N;101.06;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154730;MM154730;CNN=CCNC(=O)CF;NVDNAKHFNMEGCT-UHFFFAOYSA-N;147.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154731;MM154731;Cn1c(=O)oc(=O)n1O;XALSDMPPDFUXTI-UHFFFAOYSA-N;132.08;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154732;MM154732;C=C(F)C#CC=NNC;VKVCAGIIRHSCPE-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154733;MM154733;C=C(C)C#CC=NOC;DDEWDCUHYSBJFX-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154734;MM154734;CON=CC#CC(=N)N;XXSSITQYMJFKPC-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154735;MM154735;C=NOCC#CC(O)CF;KGPYUPNBCXBWAJ-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154736;MM154736;C=CC=CC#CC(=C)C;DPBMATXQGDUIMK-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154737;MM154737;C=C(C)C#CC=CC=O;ADQHPDNGLDEQTM-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154738;MM154738;C=C(C)C#CC=CC#N;VUDQBNZPFBHQEU-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154739;MM154739;C=CC=CC#CC(C)=O;JUMDWQSZMZMOLO-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154740;MM154740;CC(=O)C#CC=CC=O;MGYNBTIGBGURJO-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154741;MM154741;CC(=O)C#CC=CC#N;HCYFNBGNZHVTJE-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154742;MM154742;N#CC=CC#CC(N)=O;WHDUFURVVJBCAC-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154743;MM154743;C=CC=CC#CC(=O)O;XOAOLXHEUDFZFD-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154744;MM154744;N#CC=CC#CC(=O)O;VXYHSSJLFSYVEW-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154745;MM154745;C=CC=CC#CC(=C)F;GIQJWHHETYDMGR-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154746;MM154746;C=C(F)C#CC=CC=O;PCQKAZZXOGFKRK-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154747;MM154747;C=C(F)C#CC=CC#N;ANFMSIATJACTMA-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154748;MM154748;C=NN=CC#CC(=C)C;GUDKQIAKVYCZMJ-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154749;MM154749;C=NN=CC#CC(C)=O;QSSPGJBPYPBVLJ-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154750;MM154750;C#CC=CC#CC(=C)C;NFDVUOXBDVGMLA-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154751;MM154751;C#CC=CC#CC(C)=O;KJHBCYBBRGJTJY-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154752;MM154752;C#CC=CC#CC(=O)O;ALMXZGWQNGZTOT-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154753;MM154753;C#CC=CC#CC(=C)F;WDZLSAHSLVAIPW-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154754;MM154754;CCC#CC#CC(C)C;NPCXCNZVSWJCHK-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154755;MM154755;CC(C)C#CC#CCN;GWPZEOVDGARBHV-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154756;MM154756;CC(C)C#CC#CCO;GCSSOVQDUYHCPB-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154757;MM154757;CC(C)C#CC#CCF;JGNIRQZWDPRSHP-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154758;MM154758;CCC#CC#CC(C)N;XZWFDYSPMBDDGE-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154759;MM154759;CC(N)C#CC#CCF;QDGZVKBISDEVEC-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154760;MM154760;CCC#CC#CC(C)O;XCBVHCJKNZIQGZ-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154761;MM154761;CC(O)C#CC#CCN;NAVJLGXKUBZSKO-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154762;MM154762;CC(O)C#CC#CCF;KZIPPRQYTMKTKA-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154763;MM154763;CCC#CC#CC(C)F;PHNNWBWVOQXUIY-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154764;MM154764;CC(F)C#CC#CCO;UAZCRXJOKAHFBQ-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154765;MM154765;CC(F)C#CC#CCF;OJKQCSUCKXDADC-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154766;MM154766;CCC#CC#CC(F)F;JQMZFDLBOVKLOG-UHFFFAOYSA-N;128.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154767;MM154767;NCC#CC#CC(F)F;PAQLVWUTRZTVBA-UHFFFAOYSA-N;129.11;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154768;MM154768;OCC#CC#CC(F)F;LALFYTVCAOXMLT-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154769;MM154769;FCC#CC#CC(F)F;ZDGLSCWFVNFWPX-UHFFFAOYSA-N;132.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154770;MM154770;C=CC#CC#CC(C)C;JBNZZOFSQUPKQL-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154771;MM154771;CC(C)C#CC#CC=O;YBTBWAQKJWSZTE-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154772;MM154772;C=CC#CC#CC(C)N;YSSLSZVRPPOVKH-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154773;MM154773;C=CC#CC#CC(C)O;WQJFQFOEORDKGQ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154774;MM154774;CC(O)C#CC#CC#N;PXMNGLOXDBBBOJ-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154775;MM154775;C=CC#CC#CC(C)F;UUULPDDRYRBYKL-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154776;MM154776;CC(F)C#CC#CC=O;NKGAZZQSAXCQDB-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154777;MM154777;CC(F)C#CC#CC#N;LBXOLDZNOJCEEU-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154778;MM154778;C=CC#CC#CC(F)F;IRGBYDCQBXFOSF-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154779;MM154779;O=CC#CC#CC(F)F;YCFHSRNCNBXIAV-UHFFFAOYSA-N;128.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154780;MM154780;N#CC#CC#CC(F)F;YVYKPHFXJARGRX-UHFFFAOYSA-N;125.08;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154781;MM154781;C#CC#CC#CC(C)C;WKGYPJZAJSVBOJ-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154782;MM154782;C#CC#CC#CC(C)N;HBJICYWSHYKNDV-UHFFFAOYSA-N;117.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154783;MM154783;C#CC#CC#CC(C)O;LEAFOCOUDGNCSP-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154784;MM154784;C#CC#CC#CC(C)F;BOCUWOLODODZEA-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154785;MM154785;C#CC#CC#CC(F)F;AUCMJNLGJFROTD-UHFFFAOYSA-N;124.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154786;MM154786;C=C(C)C#CC#CCC;WRCQHPYBFMZWKL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154787;MM154787;C=C(C)C#CC#CCF;XBJRGYYUFVJHPD-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154788;MM154788;CCC#CC#CC(C)=O;OANFGLXJKACDAJ-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154789;MM154789;CC(=O)C#CC#CCF;JEJQIRZGNNJMSF-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154790;MM154790;CCC#CC#CC(=N)N;BOJXJPWHKNPUSD-UHFFFAOYSA-N;120.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154791;MM154791;CCC#CC#CC(N)=O;IEODHSPUHGNSQT-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154792;MM154792;NCC#CC#CC(N)=O;FSGOFYIAESVZLO-UHFFFAOYSA-N;122.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154793;MM154793;CCC#CC#CC(=O)O;JJRPKYYXFGMQGE-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154794;MM154794;O=C(O)C#CC#CCF;SEBKPKSATDYSEO-UHFFFAOYSA-N;126.09;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154795;MM154795;C=C(F)C#CC#CCC;UYDNRHAHSOYEOH-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154796;MM154796;C=C(F)C#CC#CCO;KAAQIUYCBWCZLC-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154797;MM154797;C=C(F)C#CC#CCF;JYZUDLIEGWSZSG-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154798;MM154798;C=CC#CC#CC(=C)C;OUHZELUGWFXPNR-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154799;MM154799;C=C(C)C#CC#CC=O;HHQKXBWBZMPLEA-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154800;MM154800;C=C(C)C#CC#CC#N;UGKDWNRWNCSBJP-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154801;MM154801;C=CC#CC#CC(C)=O;CMPGUCSTUQAVPX-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154802;MM154802;CC(=O)C#CC#CC=O;FVFNDVKFKRKCRN-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154803;MM154803;N#CC#CC#CC(=N)N;MJPNOTARZLYIOQ-UHFFFAOYSA-N;117.11;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154804;MM154804;C=CC#CC#CC(N)=O;QMUPGBRGDAKGRP-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154805;MM154805;C=CC#CC#CC(=O)O;QSZPUBHLZIYAQG-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154806;MM154806;O=c1nc(F)ccn1O;ILPZOIARKJTWAK-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154807;MM154807;C=CC#CC#CC(=C)F;YSDARCWQGVLTFA-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154808;MM154808;C=C(F)C#CC#CC=O;BZCOPNTVCCSNKI-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154809;MM154809;C=C(F)C#CC#CC#N;URYGYTWUDAVDRH-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154810;MM154810;C#CC#CC#CC(=C)C;DZYZOZZUMSZZKL-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154811;MM154811;C#CC#CC#CC(C)=O;DMIFDQUEMJBDFP-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154812;MM154812;C#CC#CC#CC(=N)N;RBPZYVCIAIXICB-UHFFFAOYSA-N;116.12;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154813;MM154813;C#CC#CC#CC(N)=O;IRTAASVGQYTJCX-UHFFFAOYSA-N;117.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154814;MM154814;C#CC#CC#CC(=O)O;LHTLEMZSLRTWAV-UHFFFAOYSA-N;118.09;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154815;MM154815;C#CC#CC#CC(=C)F;MXMRURCJADESEJ-UHFFFAOYSA-N;118.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154816;MM154816;CCCCCC=C(C)C;YBOZNTGUYASNRA-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154817;MM154817;C=CN(C=NC)C(=O)NN;SQYQLLCZYLAVFI-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154818;MM154818;CC(F)=CCCCCN;FUXQJLRROGXCRA-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154819;MM154819;NCCCCC=C(F)F;GASUPRYECLSPKT-UHFFFAOYSA-N;135.16;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154820;MM154820;CNCCCC=C(C)C;WJXATOFRMKBGHW-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154821;MM154821;COCCCC=C(C)C;WZXKCMWRYCZYRJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154822;MM154822;CCNCCC=C(C)C;WTOAZKBLLDEPGV-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154823;MM154823;CCNCCC=C(F)F;YYZPHFVWDITOIR-UHFFFAOYSA-N;135.16;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154824;MM154824;CCOCCC=C(C)C;LPBINZGPTUDEPL-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154825;MM154825;CCOCCC=C(C)F;UKNJHVJIOLEJGZ-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154826;MM154826;CCOCCC=C(F)F;QZXWUQOQIZMWCI-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154827;MM154827;CCCNCC=C(C)C;ZYUGHADSTVYQGK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154828;MM154828;CCCNCC=C(C)F;NPGRWIJVUISKRQ-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154829;MM154829;CC(F)=CCNCCN;SAVBAVKTEBTGEL-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154830;MM154830;CCCNCC=C(F)F;NHXVYPFOIPKYCI-UHFFFAOYSA-N;135.16;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154831;MM154831;CCCOCC=C(C)C;ZOOJRQGHDSFDPF-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154832;MM154832;CC(C)=CCOCCO;XBVCDTSQEQPMQL-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154833;MM154833;CCCOCC=C(C)F;BCVKPSLASHTHJW-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154834;MM154834;CC(F)=CCOCCO;VXLNOZTWLKTYNO-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154835;MM154835;CCCOCC=C(F)F;CNKKMRSHDBREHX-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154836;MM154836;NCCOCC=C(F)F;JWTADDXYBLVCDY-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154837;MM154837;OCCOCC=C(F)F;LRKQADDMMCKPJK-UHFFFAOYSA-N;138.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154838;MM154838;COCOCC=C(C)C;CVDZYZUHQNMIIZ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154839;MM154839;COCOCC=C(C)F;HIWAQILHLYFSSN-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154840;MM154840;COCOCC=C(F)F;VWKGYOXTEOMSOE-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154841;MM154841;CCCCOC=C(C)C;UFGASZVVPILDSD-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154842;MM154842;CC(C)=COCCCO;DSLUQDLPQIRBBK-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154843;MM154843;CC(F)=COCCCN;IISBIIAKVARGHS-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154844;MM154844;CC(F)=COCCCO;GDROFVGVAUQOGX-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154845;MM154845;NCCCOC=C(F)F;YVEPVTSZOHOQMX-UHFFFAOYSA-N;137.13;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154846;MM154846;OCCCOC=C(F)F;NDVKDPYWNYSMQF-UHFFFAOYSA-N;138.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154847;MM154847;CNCCOC=C(C)C;MQJOSFJLHHKHTC-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154848;MM154848;CNCCOC=C(F)F;OECBHHCCKYYOHW-UHFFFAOYSA-N;137.13;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154849;MM154849;COCCOC=C(C)C;SJWUXZHHNZBQOQ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154850;MM154850;COCCOC=C(C)F;QUNKDSUGVMQROU-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154851;MM154851;COCCOC=C(F)F;RDUDCPMSEHIPGZ-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154852;MM154852;CCOCOC=C(C)F;FLWOBHIXSBJKAV-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154853;MM154853;CCOCOC=C(F)F;NQYBPGQLTZZKPX-UHFFFAOYSA-N;138.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154854;MM154854;CCCCNN=C(C)C;QFDNXYORGUYIAM-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154855;MM154855;COCCNN=C(C)C;WJAIBZYVOIREBA-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154856;MM154856;COCCON=C(C)C;NUMAMSABVFKARN-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154857;MM154857;CC(C)=CCCCC=O;GUIZUDCRTPIDCW-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154858;MM154858;CC(C)=CCCCC#N;YTLZYENZVIHNDG-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154859;MM154859;C=CCCCC=C(C)F;XCGBPJCHXNFASE-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154860;MM154860;CC(F)=CCCCC=O;LXABWYHKCNVJJH-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154861;MM154861;CC(F)=CCCCC#N;ACCAGJXEJUWDEK-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154862;MM154862;CC(C)=CCCNC=N;LXVFULUVBKTFGO-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154863;MM154863;CC(F)=CCCNC=N;SGRUIMJFCARLSJ-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154864;MM154864;C#Cc1nc(C=CC)c[nH]1;BHHGDCKUHGDVCR-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154865;MM154865;C=COCCC=C(C)C;OYTUIEXFWGJTCG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154866;MM154866;C=COCCC=C(C)F;XLAYJGHNIUZPDE-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154867;MM154867;C=NOCCC=C(C)C;WYCQDKJIRYYLMP-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154868;MM154868;C=NOCCC=C(C)F;DHWVCUBJRQOMMD-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154869;MM154869;C=NN1CC1CC(O)C#N;SFKFKTLPAGCQNN-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154870;MM154870;CC(C)=CCOCC=O;HGTBRFCKBUWQOP-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154871;MM154871;C=CCOCC=C(C)F;SJKGNJVXGDCGDD-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154872;MM154872;CC(F)=CCOCC=O;OQUZUAWRXBJUIF-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154873;MM154873;CC(F)=CCOCC#N;JXSRPGVXGRNXPH-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154874;MM154874;C=CCOCC=C(F)F;ITLRNNHWPUFFEI-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154875;MM154875;N#CCOCC=C(F)F;ABEWMOWURKUANE-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154876;MM154876;CC(C)=CCONC=N;CZFXEMKFSGJBCY-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154877;MM154877;N=CNOCC=C(F)F;WVMUPAAZGXRFFW-UHFFFAOYSA-N;136.1;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154878;MM154878;CC(C)=COCCC#N;VTZHPWDNKVWUKR-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154879;MM154879;CC(F)=COCCC=O;ZIAOFBCJBHFCNO-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154880;MM154880;CC(F)=COCCC#N;HFMSLTMNTBCXGQ-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154881;MM154881;CC(C)=COCOC=O;UVOQQZOUIWQMEI-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154882;MM154882;C=COCOC=C(C)F;VUDYIZXEDCFFDI-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154883;MM154883;CC(F)=COCOC=O;BFGDGVJMYWSJNB-UHFFFAOYSA-N;134.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154884;MM154884;C=COCOC=C(F)F;AUQYDSKJXQJGPI-UHFFFAOYSA-N;136.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154885;MM154885;O=COCOC=C(F)F;BIBMWEXFUQRIQB-UHFFFAOYSA-N;138.07;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154886;MM154886;C=NOCOC=C(C)C;PNLRASZPBBENSK-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154887;MM154887;C=NOCOC=C(C)F;IICKDIVVURMKRS-UHFFFAOYSA-N;133.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154888;MM154888;C=NOCOC=C(F)F;SWTRIHGEONCCEG-UHFFFAOYSA-N;137.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154889;MM154889;C=CCCNN=C(C)C;RVKJWBBKRXHLHQ-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154890;MM154890;C=CCC=CCNC=NO;PIUGMBIUTJTYDG-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154891;MM154891;C=CCCON=C(C)C;SQCUNFKPVRLSLM-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154892;MM154892;C=NOCON=C(C)C;MYMDKSQWCMYKKF-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154893;MM154893;C#CCCCC=C(C)C;ORIGZJGWPYNCRY-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154894;MM154894;C#CCCCC=C(C)F;VGEOAYHLGKKKPB-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154895;MM154895;C#CCNCC=C(C)C;VMOOLKKJAPBTHW-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154896;MM154896;C#CCOCC=C(C)C;UALZRFRMEYMLCQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154897;MM154897;C#CCOCC=C(C)F;YRCAQDQXZYYFCA-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154898;MM154898;C#CCOCC=C(F)F;GYLMZQXWCBQAFX-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154899;MM154899;C#CCCOC=C(C)C;BFYQTMPYFLHPEV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154900;MM154900;C#CCCOC=C(C)F;AMHHZAABKUVMOQ-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154901;MM154901;C#CCCON=C(C)C;XBKRAPZZVNBZTL-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154902;MM154902;CC=CCCC=C(C)C;IPCSGHCODDWRQG-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154903;MM154903;CC=CCCC=C(C)F;QZUMEVDXYYMSDZ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154904;MM154904;CC(C)=CCCC=NN;QWVFQLLTYCRMME-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154905;MM154905;CC(F)=CCCC=NO;NMXSJZQJUKEFGO-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154906;MM154906;CC(C)=CCN=CNN;CRCADPBOOWUNLN-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154907;MM154907;CN=CNCC=C(F)F;OZYZHTKVNAYEPW-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154908;MM154908;NNC1=NN=C(NN)ON1;NGWDTELWCQGUBT-UHFFFAOYSA-N;145.13;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154909;MM154909;CC=COCC=C(C)C;NVDPJMBTLDLZLK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154910;MM154910;CC(F)=CCOC=CF;YREDYHJGYWGCNF-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154911;MM154911;NNC1=NN=C(NO)ON1;NSEHLEFQMRIUPH-UHFFFAOYSA-N;146.11;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154912;MM154912;CC(C)=CCOC=NO;SAIAZMWMTDASSW-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154913;MM154913;CC(C)N(C)C=NO;YICMADVVCYQCIJ-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154914;MM154914;CC(F)=CCOC=NO;UTGCUSFXWCISEA-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154915;MM154915;C=CN(N)C(=O)NN;OYXBQMBVCHEHTP-UHFFFAOYSA-N;116.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154916;MM154916;ON=COCC=C(F)F;CIGDRGQVFQGDQH-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154917;MM154917;CC=NOCC=C(C)C;HEWCXMNHAYQSSL-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154918;MM154918;CC=NOCC=C(C)F;LAMISZUHUTVZOF-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154919;MM154919;CC=NOCC=C(F)F;UXSCWQKEYLBTOF-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154920;MM154920;CC=CCOC=C(C)C;OEBGNXRUZSUHGT-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154921;MM154921;CC(F)=COCC=CF;VPTFNLCQTUGLON-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154922;MM154922;CC=CCOC=C(F)F;DFPKNRLUUVGGFQ-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154923;MM154923;CC(C)=COCC=NN;MBIOXXFQNFHRRW-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154924;MM154924;CC(C)=COCC=NO;OKLRLJNTYJXDKS-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154925;MM154925;CC(F)=COCC=NN;QKXBDHSCOIIRQL-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154926;MM154926;NN=CCOC=C(F)F;DKDJBEGYAGLBEG-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154927;MM154927;CC=CCNN=C(C)C;GWRJJZIWBOSRLK-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154928;MM154928;CC=CCON=C(C)C;HARRKUZTSYOGCT-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154929;MM154929;CC(C)=NOCC=CF;DEIODLKCTCOORR-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154930;MM154930;CC(C)=NOCC=NN;IWCUSHWLOTYYSA-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154931;MM154931;CC#CCCC=C(C)C;UOHJJNGMMXBDAW-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154932;MM154932;CC#CCCC=C(C)F;CVIGPUSLZXMMPF-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154933;MM154933;CC#CCCC=C(F)F;ALTBOJWORRJYJK-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154934;MM154934;CC#CCOC=C(C)C;DGTKVJXGMACSHB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154935;MM154935;CC#CCOC=C(C)F;IXIRCUFWHUAKPV-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154936;MM154936;CC#CCOC=C(F)F;NKCMVDKECIQSPC-UHFFFAOYSA-N;132.11;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154937;MM154937;CC#CCNN=C(C)C;LHZOLRVWOYIZDN-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154938;MM154938;CC#CCON=C(C)C;RUZOSPCDOKADQP-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154939;MM154939;CC(C)=CCC=CCN;CHLIMPIAVVQZED-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154940;MM154940;CC(F)=CCC=CCF;VWHDYDGKJDAQRX-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154941;MM154941;NCC=CCC=C(F)F;JEAZSIAXBFSAFY-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154942;MM154942;COC=CCC=C(C)C;WEGMFDJUFKRFSN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154943;MM154943;CCN=CNC=C(C)C;MAGJRFBAJWQFJX-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154944;MM154944;CCN=CNC=C(C)F;ZSUOVJDQCRLWRQ-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154945;MM154945;CCN(C=NO)CC;OEMUOQFZPCEBHW-UHFFFAOYSA-N;116.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154946;MM154946;CON=CNC=C(C)C;ADGXKMMKMLNWRH-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154947;MM154947;CON=CNC=C(C)F;BEEIMMXIDZPFOT-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154948;MM154948;CC(C)=COC=CCN;RWJQFIDFEGXVMH-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154949;MM154949;CC(C)=COC=CCO;SLBLRCAIUHSTBP-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154950;MM154950;CC(F)=COC=CCN;QBVSGTCEIJVOFG-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154951;MM154951;CC(F)=COC=CCO;VPFXCMVVLAGVMR-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154952;MM154952;CC(F)=COC=CCF;AKCNPIVLBJIZIK-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154953;MM154953;NCC=COC=C(F)F;BCBOZXJUQMMGMB-UHFFFAOYSA-N;135.11;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154954;MM154954;OCC=COC=C(F)F;ZMQMGNRQJBEJAY-UHFFFAOYSA-N;136.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154955;MM154955;COC=COC=C(C)C;CUAUNHDRSUSRJX-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154956;MM154956;COC=COC=C(C)F;DWDHXRIQHZEEOE-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154957;MM154957;COC=COC=C(F)F;WIWZYZUSTXAHGD-UHFFFAOYSA-N;136.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154958;MM154958;C=NOC(C)C(O)C=O;RWNKZBKCVOKPPT-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154959;MM154959;CC1C(=N)N(C)OC1=O;OHORHYGNMMTXNG-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154960;MM154960;CN1CC1CC(O)C#N;KIPQYQPCIMTAKT-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154961;MM154961;CON=COC=C(C)C;MCACSWYZDBMIBA-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154962;MM154962;CON=COC=C(F)F;DBBYVHHGRMOVER-UHFFFAOYSA-N;137.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154963;MM154963;CON=CON=C(C)C;IGWJYHFTEPSKJI-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154964;MM154964;C=CC=CCC=C(C)C;ZIMQCXVORHPVEB-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154965;MM154965;CC(C)=CCC=CC=O;GZJYGISMTMBFTK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154966;MM154966;CC(C)=CCC=CC#N;OBPHCYDHGLMXJY-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154967;MM154967;C=CC=CCC=C(C)F;LZFSYIUDRSSSGU-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154968;MM154968;CC(F)=CCC=CC=O;NNTZNNOEOZCIOE-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154969;MM154969;CC(F)=CCC=CC#N;TUHMATYZGILAJF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154970;MM154970;C=CC=CCC=C(F)F;WFRFKBLXBASDBM-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154971;MM154971;O=CC=CCC=C(F)F;RECUXRPCSUPACX-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154972;MM154972;N#CC=CCC=C(F)F;RXAUCBKDGWBNRW-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154973;MM154973;C=NN=CCC=C(C)C;CNBRPLMLUNETOG-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154974;MM154974;C=NN=CCC=C(C)F;MDETYLXPUXCVOI-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154975;MM154975;O=CNC=NC=C(F)F;ZEKPKFWPKIBTEG-UHFFFAOYSA-N;134.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154976;MM154976;C=CC(OC)C(=O)NN;LOQYRWDLTVGIFZ-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154977;MM154977;NN=C1COC(NO)=N1;HSXJCLTZCWLOJK-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154978;MM154978;CC(C)=COC=CC=O;MHJODPGIJWAYRL-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154979;MM154979;CC(C)=COC=CC#N;VJOSJQOXIIPZTR-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154980;MM154980;C=CC=COC=C(C)F;QNRIRWYLJXPVFF-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154981;MM154981;CC(F)=COC=CC=O;AUGFYDXGXDSCDA-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154982;MM154982;CC(F)=COC=CC#N;GNHSATIKSKSLNS-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154983;MM154983;O=CC=COC=C(F)F;JARAEUYFCHSSSI-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154984;MM154984;N#CC=COC=C(F)F;NVBYQRFOUORWMB-UHFFFAOYSA-N;131.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154985;MM154985;C=NN=COC=C(C)C;NRJMHZLBOQUTPQ-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154986;MM154986;C=NN=COC=C(C)F;QDQYJGDFPILHST-UHFFFAOYSA-N;130.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154987;MM154987;C=NN=COC=C(F)F;KAMDNEQVIQIZQC-UHFFFAOYSA-N;134.09;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154988;MM154988;CC(F)C(C)(C)C(=O)NN;QQPJDJFBCAPMJD-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154989;MM154989;C=C(F)C(C)NC(=O)NN;NKLZJGIYLTZKED-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154990;MM154990;C#CC=CCC=C(C)C;GCOHSBXUWOBQKT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154991;MM154991;C#CC=CCC=C(C)F;UXJMLULPAFMDCX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154992;MM154992;C#CC=CCC=C(F)F;FZTVAGZBGAOBGX-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154993;MM154993;C#CC=COC=C(C)C;LGLYDORVHXOZPS-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154994;MM154994;C#CC=COC=C(C)F;XACCSVYRVKRDKD-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154995;MM154995;C#CC=COC=C(F)F;KTNAJUZSKDATKF-UHFFFAOYSA-N;130.09;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154996;MM154996;CCC#CCC=C(C)C;HXDMFGACSJBVLM-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154997;MM154997;CC(C)=CCC#CCN;YDELVWKKSNQWIP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154998;MM154998;CC(C)=CCC#CCO;GNZOJJLKDCEDKY-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM154999;MM154999;CC(C)=CCC#CCF;FQIFAPIGZJVVBY-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155000;MM155000;CCC#CCC=C(C)F;UQNFECKEVVPEOU-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155001;MM155001;CC(F)=CCC#CCN;SCISDGMZNFNZIU-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155002;MM155002;CC(F)=CCC#CCO;BTQJSIKNFIZGLB-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155003;MM155003;CC(F)=CCC#CCF;WDKFDIJRDSSMAE-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155004;MM155004;CCC#CCC=C(F)F;HZEJCEBDEQICDH-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155005;MM155005;NCC#CCC=C(F)F;XAZZXGVEQRYMJX-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155006;MM155006;OCC#CCC=C(F)F;OKFDUYLTAOWCJN-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155007;MM155007;FCC#CCC=C(F)F;ZKYWQOOWBFXYIZ-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155008;MM155008;C=CC#CCC=C(C)C;JDDQENYZJQSJRR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155009;MM155009;CC(C)=CCC#CC=O;OECLCIYTVZARSV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155010;MM155010;CC(C)=CCC#CC#N;JKWCHDVIKHRWFI-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155011;MM155011;C=CC#CCC=C(C)F;FGTUIYPBELPKQC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155012;MM155012;CC(F)=CCC#CC=O;FAHCVIJMIVWAHZ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155013;MM155013;CC(F)=CCC#CC#N;DYYZOICPBBPEMD-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155014;MM155014;C=CC#CCC=C(F)F;DUXMQGLAAXJQNH-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155015;MM155015;O=CC#CCC=C(F)F;JSHJQYDUKDVJMA-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155016;MM155016;N#CC#CCC=C(F)F;JHNAJLXICJJDLU-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155017;MM155017;C#CC#CCC=C(C)C;BKWQHHOIMUIHRY-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155018;MM155018;C#CC#CCC=C(C)F;DPZRTNCVPKZLIW-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155019;MM155019;C#CC#CCC=C(F)F;YJXPJQVXEFDMJA-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155020;MM155020;CCCC=CC=C(C)C;SZLUCSLGWGPNDR-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155021;MM155021;CC(C)=CC=CCCN;MULWFTQVRBXGLX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155022;MM155022;CCCC=CC=C(C)F;PDELSVCNOSRBIW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155023;MM155023;CC(F)=CC=CCCN;UNJIXMCFFXEWBT-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155024;MM155024;CC(F)C=CNC(=O)NN;UEXWIHHMHXZCQM-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155025;MM155025;CCCC=CC=C(F)F;RLDHFKCTRCEUGK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155026;MM155026;NCCC=CC=C(F)F;LUEKDIQSXMCGCW-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155027;MM155027;CNCC=CC=C(C)C;HOBIPEXIDCDBDO-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155028;MM155028;CNCC=CC=C(C)F;HCTKESAVRAAKCM-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155029;MM155029;CNCC=CC=C(F)F;GMEIWTZSHNDHHY-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155030;MM155030;COCC=CC=C(C)C;WHJVMRBJFMZPGH-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155031;MM155031;COCC=CC=C(C)F;IXQXVAQMHOBJKT-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155032;MM155032;COCC=CC=C(F)F;UWGLWMSHADIHRR-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155033;MM155033;CCOC=CC=C(C)C;XEEAMTNDSQUHIV-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155034;MM155034;CCOC=CC=C(C)F;PPLVFZDEQJVODI-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155035;MM155035;CCOC=CC=C(F)F;QOGXCSZKKIEXNO-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155036;MM155036;CCNN=CC=C(F)F;ONQJQZLEUKGQIB-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155037;MM155037;CCON=CC=C(C)C;KZNYNFUHWWNRJF-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155038;MM155038;CCON=CC=C(C)F;WPJNBGCHZYKVKR-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155039;MM155039;CCON=CC=C(F)F;BXCVNHCMEHDCCH-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155040;MM155040;CC(C)=NN=CCCN;XMYVNQDKDAXASD-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155041;MM155041;CC(C)=NN=CCCO;BLAGPDPKSBFTGV-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155042;MM155042;COCC=NN=C(C)C;HQFKGECQCSLLMJ-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155043;MM155043;CCOC=NN=C(C)C;DJMSIRCZNVUQGL-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155044;MM155044;C=CCC=CC=C(C)C;IRCMLKMPFYLDEC-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155045;MM155045;CC(C)=CC=CCC=O;DPOLGMBFAMDDPB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155046;MM155046;CC(C)=CC=CCC#N;SRZKWMBGANPDBI-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155047;MM155047;C=CCC=CC=C(C)F;MMKGMVPEAVLOOP-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155048;MM155048;CC(F)=CC=CCC=O;AQJAEERBOYTJPA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155049;MM155049;CC(F)=CC=CCC#N;FGCFWPMTPWVKNM-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155050;MM155050;C=CCC=CC=C(F)F;OLFVZGRNWVREDO-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155051;MM155051;O=CCC=CC=C(F)F;RRTPOYNPWIQSGP-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155052;MM155052;CC(C)=CC=CNC=N;DYNDRFPGBWNIHD-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155053;MM155053;CC(C)=CC=CNC=O;RUZUXONEBDKGLG-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155054;MM155054;CC(C)=CC=COC=O;NYXWQADFKDTSJY-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155055;MM155055;CC(F)=CC=COC=O;GKGRNXMATZMYSM-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155056;MM155056;C=COC=CC=C(F)F;JKILPUSURNTNNS-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155057;MM155057;C=NNC(C)CC(O)C#N;MXVCXOMYAJNPSK-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155058;MM155058;CC(F)=CC=NNC=O;WQMJMBFMTHZRCR-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155059;MM155059;CC(C)=CC=NOC=O;ALSFTPHDLGLXJN-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155060;MM155060;CC(F)=CC=NOC=O;QIDPAPXIVKXFRO-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155061;MM155061;NC(N)=CC=NOC=O;BHGXQZIPQLQNAY-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155062;MM155062;O=CON=CC=C(F)F;TZNDCCPWPQCEFE-UHFFFAOYSA-N;135.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155063;MM155063;CC(C)=NN=CCC=O;COSWSOLNSSRRES-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155064;MM155064;CC(C)=NN=CCC#N;TXASFNHWSBMHJS-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155065;MM155065;C=COC=NN=C(C)C;FWQCYSWSYDIRLT-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155066;MM155066;CC(C)=NN=COC=O;PLPIGVPFPKNRDZ-UHFFFAOYSA-N;128.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155067;MM155067;C=NOC=NN=C(C)C;NAADYVSEOHVNRG-UHFFFAOYSA-N;127.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155068;MM155068;C#CCC=CC=C(C)C;GBIYECYYQCIHAL-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155069;MM155069;C#CCC=CC=C(C)F;PEPQOXYQRKYINU-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155070;MM155070;C#CCC=NN=C(C)C;PGXZUHBEXRXORV-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155071;MM155071;CC(C)=CC=CC=CF;YZHKJBLJJXLCKD-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155072;MM155072;CC=CC=CC=C(C)F;GOGRBSXGPRWMJP-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155073;MM155073;CC(F)=CC=CC=CF;AKPXJBAIBWIKMV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155074;MM155074;CC(C)=CC=CC=NN;SUBOEIIBTCZCPN-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155075;MM155075;C=CC(C)CN(C)C=NO;NACWXMNCCPAYGJ-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155076;MM155076;CC(F)=CC=CC=NO;KTBZDFZKSUOLES-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155077;MM155077;ON=CC=CC=C(F)F;DGPYQDCDZOXVBD-UHFFFAOYSA-N;133.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155078;MM155078;CC=NN=CC=C(C)C;AWUAUYAWABKDFH-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155079;MM155079;CC=NN=CC=C(C)N;HITYZWJQEXQTAI-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155080;MM155080;CC=NN=CC=C(C)F;BMZLANJGZIJKDO-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155081;MM155081;CC=NN=CC=C(N)N;LMZQFQNMDIHECF-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155082;MM155082;CC=NN=CC=C(F)F;SKBDGQDTKNVJHK-UHFFFAOYSA-N;132.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155083;MM155083;CC=CC=NN=C(C)C;XOYVJEGKKPCTIV-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155084;MM155084;CC(C)=NN=CC=CN;VMBXGPWSETVGGM-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155085;MM155085;C=NN=c1nc(N)n(O)o1;ICKYAVHJGSIJDJ-UHFFFAOYSA-N;143.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155086;MM155086;CC(C)=NN=CC=NO;LINLDJIQCDAWOJ-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155087;MM155087;CC#CC=CC=C(C)C;SGVVZBFPUXGSBK-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155088;MM155088;CC#CC=CC=C(C)F;XTNSBVRAQLKKOD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155089;MM155089;CC#CC=CC=C(F)F;ORHKKADKFDWUDE-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155090;MM155090;CC#CC=NN=C(C)C;CYXIGGFJTLFXIY-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155091;MM155091;CCCC#CC=C(C)C;HGFVQINHIJZBPL-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155092;MM155092;CC(C)=CC#CCCN;XMFWXDQBFVYAGU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155093;MM155093;CC(C)=CC#CCCO;VCTXDIMPZJWXLE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155094;MM155094;CC(C)=CC#CCCF;XLOBZEUYRSSJFF-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155095;MM155095;CCCC#CC=C(C)F;MDDLUNXFXHIPBA-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155096;MM155096;CC(F)=CC#CCCN;UBWPXHAJBWMXQN-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155097;MM155097;CC(F)=CC#CCCO;UMFNFKVNTJNNMY-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155098;MM155098;CC(F)=CC#CCCF;IULIADLZJBUAKB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155099;MM155099;CCCC#CC=C(F)F;WSVNGWUARMFMHY-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155100;MM155100;NCCC#CC=C(F)F;FAAOTCLYHZWGLZ-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155101;MM155101;CNCC#CC=C(C)C;AWKDJHHVIKDJGJ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155102;MM155102;CNCC#CC=C(F)F;NFUKGTPBBXJSGP-UHFFFAOYSA-N;131.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155103;MM155103;COCC#CC=C(C)C;SURPKEITWVJDLN-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155104;MM155104;COCC#CC=C(C)F;ZLUJKEXEORKGBC-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155105;MM155105;C=CCC#CC=C(C)C;VKOAUVGNRBGVHY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155106;MM155106;CC(C)=CC#CCC=O;FWFMWBWVWRSUGP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155107;MM155107;CC(C)=CC#CCC#N;WBMBABFXSUWMMH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155108;MM155108;C=CCC#CC=C(C)F;YXYWNJFGDZAQBM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155109;MM155109;CC(F)=CC#CCC=O;IZZQCELYDJAYOQ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155110;MM155110;CC(F)=CC#CCC#N;SEKAHERQRYTSPC-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155111;MM155111;C=CCC#CC=C(F)F;ZWGVSCIGHYGSLV-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155112;MM155112;O=CCC#CC=C(F)F;AXVMEAUGYWZUQQ-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155113;MM155113;N#CCC#CC=C(F)F;FFENCVZAEUXPPE-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155114;MM155114;C#CCC#CC=C(C)C;HEZTWZKETDHHJZ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155115;MM155115;C#CCC#CC=C(C)F;RYBJROIOFHAKAG-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155116;MM155116;C#CCC#CC=C(F)F;XPVKNGRGXZTPFD-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155117;MM155117;CC=CC#CC=C(C)C;PTJGLNWCTMHZMB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155118;MM155118;CC(C)=CC#CC=CF;AJXYQQPAZITSIS-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155119;MM155119;CC=CC#CC=C(C)F;MPWBQBWBSYVCFY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155120;MM155120;CC(F)=CC#CC=CF;JRSOZDZIYZNEFX-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155121;MM155121;CC=CC#CC=C(F)F;AJTIZDKARDSMLI-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155122;MM155122;CC(C)=CC#CC=NN;DCWOLLHRTROQOT-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155123;MM155123;CC(C)=CC#CC=NO;YMIFIWARUKPYGL-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155124;MM155124;CC(F)=CC#CC=NN;OIZFEAOLOXODAR-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155125;MM155125;CC(F)=CC#CC=NO;YAMPUOBYWWFNAI-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155126;MM155126;NN=CC#CC=C(F)F;CSONGXRQGRUXEZ-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155127;MM155127;CC#CC#CC=C(C)C;BWTBMVHQWUCJGC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155128;MM155128;CC#CC#CC=C(C)F;ZEHRNJXVHKIYNQ-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155129;MM155129;CC#CC#CC=C(F)F;ONNHVVWJPDFJEB-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155130;MM155130;CCCCC1CC1(C)C;DNSANEYRJQIXEM-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155131;MM155131;CC1(C)CC1CCCN;BXAJNEBXXFSDAJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155132;MM155132;CC1(C)CC1CCCO;ZTZQBYAROXVBCX-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155133;MM155133;CCCCC1CC1(C)N;OWIWXHHMFSZPSV-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155134;MM155134;CC1(N)CC1CCCN;RSAJDVRDQZYQKM-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155135;MM155135;CC1(N)CC1CCCO;AERSUMAJHMGYJB-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155136;MM155136;C=NN(C)CCC(O)C#N;PVSCCFSYJABDEH-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155137;MM155137;CC1(O)CC1CCCN;QIEUJZFQNDSACE-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155138;MM155138;C=CC(CF)OC(=O)NN;VVZZOKAMCYZMCO-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155139;MM155139;CCCCC1CC1(C)F;MSASQSXIVSBCRU-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155140;MM155140;CC1(F)CC1CCCN;URPCWGGEZQCSLI-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155141;MM155141;CC1(F)CC1CCCO;APUSYMYAPIYDDE-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155142;MM155142;CCCCC1CC1(F)F;XYEWDWRGEMRNCD-UHFFFAOYSA-N;134.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155143;MM155143;NCCCC1CC1(F)F;TYTCYASINZODPO-UHFFFAOYSA-N;135.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155144;MM155144;CNCCC1CC1(C)N;WMFBGHGILPOJKO-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155145;MM155145;CNCCC1CC1(F)F;MCDNAVHVHISXAZ-UHFFFAOYSA-N;135.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155146;MM155146;COCCC1CC1(C)C;BPVFPNHKSFBYJM-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155147;MM155147;CCNCC1CC1(C)O;NBBZDYSRBRJTHH-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155148;MM155148;CCNCC1CC1(C)F;IJNGDPFMSKFWAC-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155149;MM155149;CCNCC1CC1(F)F;ZLNTZBQBSUKQQX-UHFFFAOYSA-N;135.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155150;MM155150;CCOCC1CC1(C)C;PGGJJAOQNHKGNI-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155151;MM155151;CCOCC1CC1(C)N;SFYDOTLYCAZSEW-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155152;MM155152;CCOCC1CC1(C)F;SJTXUGIFWOONLV-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155153;MM155153;CCOCC1CC1(F)F;BXBDUGPMYFWNAT-UHFFFAOYSA-N;136.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155154;MM155154;CC1(C)CC1NCCN;XXOQNNRGOUQCAI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155155;MM155155;CC1(C)CC1NCCF;QWWRSHZTQPKSPC-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155156;MM155156;CCCNC1CC1(C)N;MRGTYODLMLQIAA-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155157;MM155157;CC1(N)CC1NCCN;WGEXWYHTIXNEJI-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155158;MM155158;CC1(N)CC1NCCO;NLCLZNIUWOTJEF-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155159;MM155159;CC1(O)CC1NCCN;NPKOCTGBIFPBML-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155160;MM155160;CC1(O)CC1NCCO;OUKSHRHGEQBPAN-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155161;MM155161;CCCNC1CC1(C)F;CFSZARMSCAILKB-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155162;MM155162;CC1(F)CC1NCCN;ZVOIGNSVWJCSOQ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155163;MM155163;NCCNC1CC1(F)F;LUUNITQWWUWUAL-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155164;MM155164;COC(=CC(=O)NN)CF;PVNNWOUFBWNUHQ-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155165;MM155165;CCCOC1CC1(C)C;PABVAZAYWVCNSW-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155166;MM155166;CC1(C)CC1OCCN;VCTFQDTULWMUCE-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155167;MM155167;CC1(C)CC1OCCO;YFOSOTKPDQIQLC-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155168;MM155168;CC1(N)CC1OCCN;DRYURUJJGHPYMK-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155169;MM155169;CC1(N)CC1OCCO;HMGARIPKNJDHOB-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155170;MM155170;CC1(O)CC1OCCN;OZSGSPBHCQQXDC-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155171;MM155171;CC1(O)CC1OCCO;YNFFATPUMVUYQO-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155172;MM155172;CCCOC1CC1(F)F;UDLBGJYROLKSON-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155173;MM155173;NCCOC1CC1(F)F;UIAZDWHRUVNAAL-UHFFFAOYSA-N;137.13;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155174;MM155174;OCCOC1CC1(F)F;GHICVYMOCZKQOD-UHFFFAOYSA-N;138.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155175;MM155175;COCOC1CC1(C)C;QIOLUZDTRNSOBW-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155176;MM155176;COCOC1CC1(C)N;AAFLVMGMSFMXEO-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155177;MM155177;COCOC1CC1(C)O;RACJZWMTSJGGQR-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155178;MM155178;COCOC1CC1(C)F;HMVQOILGEUHANP-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155179;MM155179;CC1(C)NC1CCCN;WMLGHXHISJWYLO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155180;MM155180;CCNCC1NC1(C)C;KJLBAUSFAYBCPB-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155181;MM155181;CCCCC1OC1(C)C;FEPJOCIPDIYUTL-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155182;MM155182;CC1(C)OC1CCCN;AJCHCDWARKMQLB-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155183;MM155183;CC1(C)OC1CCCO;FHQMBICYXYUHCH-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155184;MM155184;CCNCC1OC1(C)C;YOKJYGWALDHPJY-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155185;MM155185;CCOCC1OC1(C)C;IXXSHFCKWLZCIM-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155186;MM155186;CC1(C)CN1CCCN;GHHGCRVKFCOVQL-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155187;MM155187;CNCCN1CC1(C)C;KPJKBTYYHUYTCY-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155188;MM155188;C=CCCC1CC1(C)C;BPNFEOSMQGXRJF-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155189;MM155189;CC1(C)CC1CCC=O;HTYGJUJJOYSGJW-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155190;MM155190;CC1(C)CC1CCC#N;ZVPARBQVSLZCPC-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155191;MM155191;C=CCCC1CC1(C)N;VTAAGUGQLPPWEQ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155192;MM155192;CC(CO)N(N)C(=O)NN;XQNXHKWZFKOLBW-UHFFFAOYSA-N;148.17;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155193;MM155193;C=CCOC(=C)C(=O)NN;HOSIBRAXQBNVKS-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155194;MM155194;C=NOC(CC)C(O)C=O;LCCABJCERPVBMG-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155195;MM155195;C=CCCC1CC1(C)F;ACSRORAMSMFAQT-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155196;MM155196;CC1(F)CC1CCC=O;KBEDSJLRMZHNHW-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155197;MM155197;CC1(F)CC1CCC#N;HJLUWESVODXSCI-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155198;MM155198;C=CCCC1CC1(F)F;YQTOPOOREQLXIO-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155199;MM155199;N#CCCC1CC1(F)F;IMTWCVNKIVQCCG-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155200;MM155200;CC1(C)CC1CNC=N;VVFVSLKRKBLRED-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155201;MM155201;C#CC(O)C(CCC)=NN;BZAXIFUMVQHHRF-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155202;MM155202;CC1(N)CC1CNC=N;VDHZEWNCVFEXAM-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155203;MM155203;CC1(N)CC1CNC=O;ZSKSBMPBSYDUTG-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155204;MM155204;CC1(O)CC1CNC=N;XGYFFFJIJICGNE-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155205;MM155205;CC1(O)CC1CNC=O;OYAIHBCWFMELTR-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155206;MM155206;CC1(F)CC1CNC=N;RPBLTWMONMBEIB-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155207;MM155207;CC1C(CC(O)C#N)N1C;QRWNVHXIOLCJPF-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155208;MM155208;N=CNCC1CC1(F)F;KFTACIDVHQGAQQ-UHFFFAOYSA-N;134.13;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155209;MM155209;O=CNCC1CC1(F)F;KPRQYYRLZTVFMT-UHFFFAOYSA-N;135.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155210;MM155210;C=NNCC1CC1(C)C;DLFGJBKULVRPKF-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155211;MM155211;C=NNCC1CC1(C)N;KLNFOUSXGXSIMM-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155212;MM155212;C=NNCC1CC1(F)F;ZYAJRVIHVHWYCQ-UHFFFAOYSA-N;134.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155213;MM155213;C=COCC1CC1(C)C;PCGYHSIZZQJQHR-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155214;MM155214;CC1(C)CC1COC=O;WOOCMJMNDOPXRA-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155215;MM155215;C=COCC1CC1(C)N;MUIBVALJWMFCNZ-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155216;MM155216;CC1(N)CC1COC=O;BJXBFIXEXCOXKE-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155217;MM155217;C=COCC1CC1(C)O;XMJXZADNZSLNCV-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155218;MM155218;CC1(O)CC1COC=O;PUOHXERKVKRBIY-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155219;MM155219;C=COCC1CC1(C)F;YSKLTQFMJWTHJQ-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155220;MM155220;CC1(F)CC1COC=O;QZYOLICNMGZLSL-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155221;MM155221;C=COCC1CC1(F)F;QPZJSFYQKWFYBK-UHFFFAOYSA-N;134.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155222;MM155222;O=COCC1CC1(F)F;GHZCMFXMHIGWJW-UHFFFAOYSA-N;136.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155223;MM155223;C=NOCC1CC1(C)C;AYRFXUNPAMOGDJ-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155224;MM155224;C=NOCC1CC1(C)N;INHOJMSXHAGUNP-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155225;MM155225;C#CCN(N)C(=NO)NN;QNOBWVBIXLIMDD-UHFFFAOYSA-N;143.15;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155226;MM155226;C=NOCC1CC1(C)F;XONKUMQWPZJJTQ-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155227;MM155227;C=CCNC1CC1(C)C;GSLDXYHLYQTCPD-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155228;MM155228;CC1(C)CC1NCC#N;RNKCTAPILIVWEV-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155229;MM155229;C=CCNC1CC1(C)N;JNRSRNUNUSEEEY-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155230;MM155230;C=CCNC1CC1(C)O;RGWFZVQXMWBSEA-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155231;MM155231;O=CNNCC1(CO)CO1;UMBKSENVNARPQM-UHFFFAOYSA-N;146.15;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155232;MM155232;CC1(F)CC1NCC#N;PLFBPVHEFAETIG-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155233;MM155233;C=CCNC1CC1(F)F;CCMBGDCFUHLTOS-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155234;MM155234;N#CCNC1CC1(F)F;JXHJTFKDBVWDAM-UHFFFAOYSA-N;132.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155235;MM155235;CC1(C)CC1NNC=N;GSKQAPYZEXAZNG-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155236;MM155236;C=Cc1c[nH]c(C#CC)n1;ODFMSYTYKBZJMF-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155237;MM155237;CC1(N)CC1NNC=N;PYXBSKPSIADBSX-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155238;MM155238;CC1(N)CC1NNC=O;XDMPANLMDBOIGN-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155239;MM155239;CC1(O)CC1NNC=N;BJPWOOKJGIKHDW-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155240;MM155240;C=Nn1cc(CC#N)cn1;CTTYEPSLLWGWKS-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155241;MM155241;CC1(F)CC1NNC=O;GREDTZPMNDIRER-UHFFFAOYSA-N;132.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155242;MM155242;N=CNNC1CC1(F)F;DEJZUMPQGGKPKZ-UHFFFAOYSA-N;135.12;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155243;MM155243;C=CCOC1CC1(C)C;JZOFEGLNJWGNTO-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155244;MM155244;CC1(C)CC1OCC=O;BHTJXRBDIXIPSN-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155245;MM155245;CC1(C)CC1OCC#N;JVZJCMDDTWWTHX-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155246;MM155246;C=CCOC1CC1(C)N;GLTNLGCZIPNTKG-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155247;MM155247;C=CCOC1CC1(C)O;NMVFLBOAZNLHIN-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155248;MM155248;CC1(O)CC1OCC#N;CJPNZLDZCLIRBJ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155249;MM155249;C=CCOC1CC1(C)F;PFFXQQRTKWTFHQ-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155250;MM155250;CC1(F)CC1OCC=O;KLUSLVBACUWCMS-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155251;MM155251;CC1(F)CC1OCC#N;ANPIBMCQAXBKSL-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155252;MM155252;C=CCOC1CC1(F)F;ISGFNQDGPFLPPG-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155253;MM155253;CC1(C)CC1ONC=N;VENUVHDAJITQSL-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155254;MM155254;CC1(C)CC1ONC=O;CXFLMYZMZJIKAH-UHFFFAOYSA-N;129.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155255;MM155255;CC1(N)CC1ONC=N;UIWHSGHKXXDWLM-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155256;MM155256;CC1(N)CC1ONC=O;RHZNAGWIVWBDOK-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155257;MM155257;CC1(C)NC1CNC=N;DHADBHLYUIPXRN-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155258;MM155258;C=NOCC1NC1(C)C;KYVQUVCVGFMFJN-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155259;MM155259;C=CCCC1OC1(C)C;DVZFAQACNFKRHV-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155260;MM155260;CC1(C)OC1CCC=O;UWPQLNCIOLEWJE-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155261;MM155261;CC1(C)OC1CCC#N;IVNGSHFONPJCSM-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155262;MM155262;C#CCNNC=O;CPILHSWZOULEBT-UHFFFAOYSA-N;98.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155263;MM155263;C=NNCC1OC1(C)C;FKIWGIWYXAQUPX-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155264;MM155264;C=COCC1OC1(C)C;ZFWBEULQAFSLLH-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155265;MM155265;C=NOCC1OC1(C)C;JVIAEVUPFCUIQO-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155266;MM155266;CC1(C)CN1CCC#N;UUMBXXRQJAGWBH-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155267;MM155267;C#CCCC1CC1(C)C;CDONONALFPEQKP-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155268;MM155268;C#CCCC1CC1(C)N;AFOSMGQBEAOCBV-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155269;MM155269;NC(=O)NNCCO;UVDBUPPEQVPLEJ-UHFFFAOYSA-N;119.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155270;MM155270;C#CCCC1CC1(C)F;SLXKLWCUUCMVPQ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155271;MM155271;C#CCCC1CC1(F)F;WMQIYRRGSHDZMX-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155272;MM155272;C#CCNC1CC1(C)C;FECBPHUYNIOACO-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155273;MM155273;C#CCNC1CC1(C)N;SZIMKEHVKAYARL-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155274;MM155274;C#CCNC1CC1(F)F;BJLUZXNPQUPEPU-UHFFFAOYSA-N;131.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155275;MM155275;C#CCOC1CC1(C)C;QAJGPWJPDZIXIM-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155276;MM155276;C#CCOC1CC1(C)N;GXYFZNDFSWUSOM-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155277;MM155277;C#CCOC1CC1(C)O;NMHJLVUJXVXXCI-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155278;MM155278;C#CCOC1CC1(C)F;BHAQGSXGTMTFJI-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155279;MM155279;C#CCOC1CC1(F)F;PLKZWSYZDQMQOJ-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155280;MM155280;C#CCCC1OC1(C)C;AOZVJGLLGNFMLC-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155281;MM155281;CC=CCC1CC1(C)C;DFYYJEKKYOSKEX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155282;MM155282;CC1(C)CC1CC=CF;GCGDXRVSTNGQKX-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155283;MM155283;CC=CCC1CC1(C)N;PPCAOAQFEMCJLN-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155284;MM155284;CC1(N)CC1CC=CF;COISFFNOWPTQLL-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155285;MM155285;C#CCC(=O)NNC;PRTAETQQTOBZNI-UHFFFAOYSA-N;112.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155286;MM155286;C#CC(O)C(C)=NN;SOQYHUGTYTWHSW-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155287;MM155287;CC=CCC1CC1(C)F;XDEKHUICRRFZAU-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155288;MM155288;CC1(F)CC1CC=CF;RIQPDBVHLOQRFT-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155289;MM155289;CC=CCC1CC1(F)F;UIXHAWVEGAMRSH-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155290;MM155290;CC1(C)CC1CC=NN;AAYHIEWALSUKSO-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155291;MM155291;CC1(C)CC1CC=NO;WCKINEHDDLMMEL-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155292;MM155292;CC1(O)CC1CC=NO;AWOVLKJNDXWTMU-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155293;MM155293;CC1(F)CC1CC=NO;XGNMGISXZZKGIP-UHFFFAOYSA-N;131.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155294;MM155294;NN=CCC1CC1(F)F;GRCWFOJDHVMBIX-UHFFFAOYSA-N;134.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155295;MM155295;CN=CNC1CC1(C)C;ZAFGJGWTJLLLQX-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155296;MM155296;CC1(C)CC1N=CNN;ZPJQDEZAMNPARX-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155297;MM155297;CN=CNC1CC1(C)N;HUZADBLDZXBUMF-UHFFFAOYSA-N;127.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155298;MM155298;CN=CNC1CC1(C)O;AZKDCTFXDFSXCC-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155299;MM155299;CN=CNC1CC1(C)F;DUIIREGCGYMDFE-UHFFFAOYSA-N;130.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155300;MM155300;CC=NNC1CC1(C)C;ABBPVHRUTBQBCN-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155301;MM155301;CC=NNC1CC1(C)N;VGTIJQMQSRKFGK-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155302;MM155302;CCNC(=NO)NO;FOGHZOQOAMFKLK-UHFFFAOYSA-N;119.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155303;MM155303;CC=NNC1CC1(C)F;VHIFIBVHGXVBOT-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155304;MM155304;CC(=O)NNC(C)C=O;XYSJOEZDPVQMQK-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155305;MM155305;CC=COC1CC1(C)C;MLBICQFLESVSSF-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155306;MM155306;CC=COC1CC1(C)N;NFGRQXADWLNLKR-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155307;MM155307;CC=COC1CC1(C)O;YBXVUFSLAKGRLA-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155308;MM155308;CC1(O)CC1OC=CF;SKNHQUGGMBHFJJ-UHFFFAOYSA-N;132.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155309;MM155309;CC=COC1CC1(C)F;QEAYOZASXCPXHN-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155310;MM155310;CC=COC1CC1(F)F;MEXQMMKNROXCQY-UHFFFAOYSA-N;134.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155311;MM155311;ON=COC1CC1(F)F;NYSDFEOIIGJBDW-UHFFFAOYSA-N;137.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155312;MM155312;CC=NOC1CC1(C)C;WCEIMBALPZAGAM-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155313;MM155313;CC=NOC1CC1(C)N;GHMCDDSRGRZFIX-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155314;MM155314;CC(C(N)=O)C(=O)NN;SZIZIUCETVTXCN-UHFFFAOYSA-N;131.14;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155315;MM155315;CC=NOC1CC1(C)F;OHFYFJIMOFPGHO-UHFFFAOYSA-N;131.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155316;MM155316;CC=NOC1CC1(F)F;FZDPMYAAMMQXAN-UHFFFAOYSA-N;135.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155317;MM155317;CC=CCC1OC1(C)C;XSRSHCSPODJCFE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155318;MM155318;CC1(C)OC1CC=NN;NEWRCNVKRYDPHJ-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155319;MM155319;CC1(C)OC1CC=NO;MSLMBXDQTNHGSD-UHFFFAOYSA-N;129.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155320;MM155320;CC1(C)CN1CC=NN;FEGBIPJPHCERLQ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155321;MM155321;CCC(=O)NNCC=O;RIWVFSZLYJYNNO-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155322;MM155322;CC#CCC1CC1(C)C;CLHCBLOHLPMGFJ-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155323;MM155323;CC#CCC1CC1(C)N;TURTYJLWJVSSFY-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155324;MM155324;C=CCN(C)C(C)=NO;RFBQZRQFUXNSTB-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155325;MM155325;CC#CCC1CC1(C)F;UZEBFHYYHFOAON-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155326;MM155326;CC#CCC1CC1(F)F;IVGLZXIPAQMVIJ-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155327;MM155327;CC#CCC1OC1(C)C;JNCHEUDXKVTOTN-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155328;MM155328;CC#CCN1CC1(C)C;HLFHJUUZVRBXGK-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155329;MM155329;CCCC1C(C)C1(C)C;GBMFBDGAPMZTCN-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155330;MM155330;CC1C(CCN)C1(C)C;FHFMUQUHKPRGBC-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155331;MM155331;C#CC1CN(N)C(=O)N1;LEYOBOVUGVAFSC-UHFFFAOYSA-N;125.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155332;MM155332;CC1C(CCF)C1(C)C;VRXQYBAOBRKBSA-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155333;MM155333;CCCC1C(N)C1(C)C;XCQWZFKAGQLIDJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155334;MM155334;CC1(C)C(N)C1CCN;XNRBAHRCQFFYNZ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155335;MM155335;CC1(C)C(N)C1CCO;BLXIRBNXZFLPNT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155336;MM155336;CC1(C)C(N)C1CCF;KZXCHVCUMUMVPH-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155337;MM155337;Cc1c[nH]c(CC#N)n1;XZZORRSDKILMNA-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155338;MM155338;CC1(C)C(O)C1CCN;IFDNDKOGIBKLDM-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155339;MM155339;CCCC1C(C)C1(C)N;JHJAIWHPFSXCHD-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155340;MM155340;CC1C(CCN)C1(C)N;BMMATAYBUYRWJO-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155341;MM155341;CC1C(CCO)C1(C)N;BSZKDDMIJNHODW-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155342;MM155342;CC1C(CCF)C1(C)N;HQHIBRMBAXMYKD-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155343;MM155343;CCCC1C(N)C1(C)N;ASROTVZXNMDXJL-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155344;MM155344;CC1(N)C(N)C1CCN;DFPKXEJJKUCRBV-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155345;MM155345;CC1(N)C(N)C1CCO;PRCPPYMBCDHBML-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155346;MM155346;CCCC1C(O)C1(C)N;PUPFROHNQZAFJY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155347;MM155347;CC1(N)C(O)C1CCO;LUBYFRIJWVHARF-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155348;MM155348;COc1cc(NO)n[nH]1;NADLZXKECMTBAZ-UHFFFAOYSA-N;129.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155349;MM155349;CC1C(CCN)C1(C)O;IHCXRPPMCOABQW-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155350;MM155350;CC1C(CCO)C1(C)O;XCHFIRKDZLVYDP-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155351;MM155351;CC1C(CCF)C1(C)O;SWDAWFYVNJKPQW-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155352;MM155352;CCCC1C(N)C1(C)O;MLIGJCDCGWJVKL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155353;MM155353;CC1(O)C(N)C1CCN;ZRNLNIBTECXHQT-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155354;MM155354;CC1(O)C(N)C1CCO;PFDOOKGHAMZANJ-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155355;MM155355;CC1(O)C(N)C1CCF;VRNAWENYZFULFX-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155356;MM155356;CC1(O)C(O)C1CCF;JINIBXMODHQXJJ-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155357;MM155357;CCCC1C(C)C1(C)F;XTNOTRZMZGVVPS-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155358;MM155358;CC1C(CCN)C1(C)F;PLDIFESLECAFKN-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155359;MM155359;CC1C(CCO)C1(C)F;MDESWNJMKBWOHC-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155360;MM155360;CC1C(CCF)C1(C)F;QYWPTFGJJBXFOV-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155361;MM155361;CCCC1C(N)C1(C)F;HAXYXPXVSZBFNR-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155362;MM155362;CC1(F)C(N)C1CCN;XNQXRAQZSNQGHD-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155363;MM155363;CC1(F)C(N)C1CCO;NXBAQHVNCKXQEV-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155364;MM155364;CC1(F)C(N)C1CCF;UFTNFPBFRJZPGN-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155365;MM155365;CC1(F)C(O)C1CCO;DAVUZPBOEWRKKW-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155366;MM155366;CCCC1C(C)C1(F)F;CYTCIURLJUNDMQ-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155367;MM155367;CC1C(CCN)C1(F)F;MNASKTORZBDYKU-UHFFFAOYSA-N;135.16;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155368;MM155368;CC1C(CCO)C1(F)F;OLMDUJPHTVTQKQ-UHFFFAOYSA-N;136.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155369;MM155369;CC1C(CCF)C1(F)F;BLPMTNOVZWYUAZ-UHFFFAOYSA-N;138.13;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155370;MM155370;NCCC1C(N)C1(F)F;KEFSKVDGJRKXFO-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155371;MM155371;CNCC1C(C)C1(C)C;DAIJFHFNKJVZQU-UHFFFAOYSA-N;127.23;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155372;MM155372;CNCC1C(N)C1(C)C;HTNLMEJYZAMWFE-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155373;MM155373;CNCC1C(O)C1(C)C;KLFYNNPILVQDJQ-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155374;MM155374;CNCC1C(C)C1(C)N;FTODEIQMMIRZDY-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155375;MM155375;CNCC1C(N)C1(C)N;NZUNIXOJLOMGDQ-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155376;MM155376;CNCC1C(O)C1(C)N;OVLMWUACEOUXQD-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155377;MM155377;CNCC1C(F)C1(C)N;IFOGBWYKJHGZBE-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155378;MM155378;CNCC1C(C)C1(C)O;IALLNGBJWMULCI-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155379;MM155379;CNCC1C(N)C1(C)O;UNSLPENEZBVZSQ-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155380;MM155380;CNCC1C(O)C1(C)O;FGWADPYSDQZZJZ-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155381;MM155381;CNCC1C(C)C1(C)F;RCBWDIDXIVEEEH-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155382;MM155382;CNCC1C(N)C1(C)F;LAWJGDQPZGIYMD-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155383;MM155383;CNCC1C(O)C1(C)F;QRMURLJEWFMCPW-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155384;MM155384;CNCC1C(C)C1(F)F;WMOFBNJZBWZKLZ-UHFFFAOYSA-N;135.16;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155385;MM155385;CNCC1C(N)C1(F)F;FBFITQJETTZNCJ-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155386;MM155386;COCC1C(C)C1(C)C;MJMXSCVOJIRTSI-UHFFFAOYSA-N;128.22;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155387;MM155387;COCC1C(N)C1(C)C;ZMMMBIAMERTCIY-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155388;MM155388;COCC1C(C)C1(C)N;GDANNCIVKRHNPT-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155389;MM155389;COCC1C(N)C1(C)N;JNXFNKVKWHQWHU-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155390;MM155390;COCC1C(O)C1(C)N;UACOVJBPTRVVEL-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155391;MM155391;COCC1C(C)C1(C)O;HHKUOVRYHNBYGO-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155392;MM155392;COCC1C(N)C1(C)O;XSNNMMJUPKSUGW-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155393;MM155393;COCC1C(O)C1(C)O;UHPLEWNXGPUUDA-UHFFFAOYSA-N;132.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155394;MM155394;COCC1C(C)C1(C)F;PMOANERDMRLDJY-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155395;MM155395;COCC1C(N)C1(C)F;WAGUBVXXPJKKSA-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155396;MM155396;COCC1C(C)C1(F)F;PGBZFRADGFYTCN-UHFFFAOYSA-N;136.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155397;MM155397;CCNC1C(C)C1(C)C;HLZDVKSTTWDDRQ-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155398;MM155398;CCNC1C(N)C1(C)C;USNGTHLKVVBHEY-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155399;MM155399;CCNC1C(O)C1(C)C;RULOGQHMNIGZJO-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155400;MM155400;CCNC1C(C)C1(C)N;UKKSYWHYJMADQL-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155401;MM155401;CCNC1C(N)C1(C)N;VCEIAVPJQVIUSE-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155402;MM155402;CCNC1C(O)C1(C)N;JAHYPVKZPJTTNX-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155403;MM155403;CCNC1C(C)C1(C)O;QOPSQUZFGHWIST-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155404;MM155404;CCNC1C(N)C1(C)O;CECPTOPZRYBRKW-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155405;MM155405;CCNC1C(C)C1(C)F;HWZVRSQYMXNWQV-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155406;MM155406;CCOC1C(C)C1(C)C;KWTNTYYEEGSZEZ-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155407;MM155407;CCOC1C(N)C1(C)C;UCQWPNKTFSWTFV-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155408;MM155408;CCOC1C(O)C1(C)C;GRJUBUGQWRBYND-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155409;MM155409;CCOC1C(C)C1(C)N;HWJQXIZJGUIATL-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155410;MM155410;CCOC1C(N)C1(C)N;OGMILLXAKUXBKF-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155411;MM155411;CCOC1C(C)C1(C)O;QGTOTTQBWLMJTF-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155412;MM155412;CCOC1C(N)C1(C)O;FHSHMDZIMHLNEC-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155413;MM155413;CCOC1C(C)C1(C)F;IKIPITVFHPASEE-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155414;MM155414;CCOC1C(C)C1(F)F;OIJJVNAJLQSGIY-UHFFFAOYSA-N;136.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155415;MM155415;CN1C(CCN)C1(C)C;RIHDHELXOUSTAS-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155416;MM155416;CNCC1N(C)C1(C)C;GMEPPHIWZNQGNE-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155417;MM155417;COCC1N(C)C1(C)C;JNKIKMVMAVLSJG-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155418;MM155418;CC1N(CCN)C1(C)C;DWVSBSKOUNEWJM-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155419;MM155419;CC1N(CCF)C1(C)C;OWINLRWWPDGICO-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155420;MM155420;C=CCC1C(C)C1(C)C;BDRBSGWRWILFSE-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155421;MM155421;CC1C(CC=O)C1(C)C;VINRVEPOLMOPPO-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155422;MM155422;CC1C(CC#N)C1(C)C;NQDZGYCNEQMHEG-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155423;MM155423;C=CCC1C(N)C1(C)C;GORKYGDSGUBKMO-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155424;MM155424;CC1(C)C(O)C1CC#N;IIXPZLGQDLNXAF-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155425;MM155425;C=CCC1C(C)C1(C)N;CPUJUUTWDKWYAT-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155426;MM155426;C=CCC1C(N)C1(C)N;WLTLEYIZUJRGPR-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155427;MM155427;N#CC(O)CCN1CC1;FOAVBGYRPGQICG-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155428;MM155428;CC1C(CC=O)C1(C)O;OFFOSHYSHGAWNY-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155429;MM155429;CC1C(CC#N)C1(C)O;FZXKIOWQOZZFDG-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155430;MM155430;C=CCC1C(N)C1(C)O;GQASPUUFJZDCTG-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155431;MM155431;C=CCC1C(C)C1(C)F;ANMZXHRAPCCUBS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155432;MM155432;CC1C(CC=O)C1(C)F;HYGJWJUVXZITJM-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155433;MM155433;CC1C(CC#N)C1(C)F;QNJOPBOXUKLMGA-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155434;MM155434;C=CCC1C(N)C1(C)F;LUFYPQRWSSVYDO-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155435;MM155435;C=CCC1C(O)C1(C)F;CEZZMKUSCNQYOE-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155436;MM155436;CC1(F)C(O)C1CC#N;ZLQCSPIMKZVJPO-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155437;MM155437;C=CCC1C(C)C1(F)F;UWOUMXPLYHGDLD-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155438;MM155438;CC1C(CC=O)C1(F)F;ULCGTIOWHIVYBU-UHFFFAOYSA-N;134.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155439;MM155439;CC1C(CC#N)C1(F)F;RVJSXPMQLCEOPX-UHFFFAOYSA-N;131.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155440;MM155440;CC1C(NC=N)C1(C)C;IKCXWIGEXYEDBD-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155441;MM155441;CC(O)CN(N)C(=O)NN;HLZWVVOAYYXMRE-UHFFFAOYSA-N;148.17;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155442;MM155442;CC1(C)C(N)C1NC=O;IUJQDHGEFDWUCI-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155443;MM155443;CC1C(NC=N)C1(C)N;HTWXYRJJCAEIMN-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155444;MM155444;CC1C(NC=O)C1(C)N;ANCSASASYRJXON-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155445;MM155445;CC1(N)C(O)C1NC=N;IEXYDHPEIGQHOB-UHFFFAOYSA-N;129.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155446;MM155446;CC1C(NC=N)C1(C)O;VARLEKFVPQNWCH-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155447;MM155447;CC1C(NC=O)C1(C)O;ZGDUCYDEJTVYNY-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155448;MM155448;CC1(O)C(N)C1NC=N;LONGDKRWEGTTNI-UHFFFAOYSA-N;129.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155449;MM155449;CC1(O)C(O)C1NC=N;GSJNSDAYNKQYFW-UHFFFAOYSA-N;130.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155450;MM155450;CC1(O)C(O)C1NC=O;VBMHFCQUTKZSMV-UHFFFAOYSA-N;131.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155451;MM155451;CC1C(NC=N)C1(C)F;MOPUDHIKRMGDMZ-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155452;MM155452;CC1C(NC=O)C1(C)F;VDCJQDPLXARTSY-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155453;MM155453;CC1(F)C(N)C1NC=N;KAKLSCYXRNGSSQ-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155454;MM155454;CC1C(NC=N)C1(F)F;XSZSXTRBTUFFFX-UHFFFAOYSA-N;134.13;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155455;MM155455;CC1C(NC=O)C1(F)F;MKMHRNONMOTHDM-UHFFFAOYSA-N;135.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155456;MM155456;C=NNC1C(C)C1(C)C;LJGWNQSRJSBDDF-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155457;MM155457;C=NNC1C(C)C1(C)N;UJAGFNQMFOHNKG-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155458;MM155458;C=NNC1C(N)C1(C)N;MPPQNXNHUYYRII-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155459;MM155459;CNNC(=O)NC=CCO;QJYABCAQBQBQDZ-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155460;MM155460;C=NNC1C(C)C1(C)F;JNXKWOMOMSWIDF-UHFFFAOYSA-N;130.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155461;MM155461;CNNC(=O)N(C)CCF;CFXNYRJEHMLLCZ-UHFFFAOYSA-N;149.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155462;MM155462;C=COC1C(C)C1(C)C;SERJQEIDGBUXAO-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155463;MM155463;CC1C(OC=O)C1(C)C;IVXPPQBQNJHVRM-UHFFFAOYSA-N;128.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155464;MM155464;CC1(C)C(N)C1OC=O;KAJMNUPUPJDVQI-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155465;MM155465;CC1(C)C(O)C1OC=O;YICOCSDSGHDKED-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155466;MM155466;C=COC1C(C)C1(C)N;JHHLYOKXIOBAFU-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155467;MM155467;CC1C(OC=O)C1(C)N;QGSVQHNZYZQFRF-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155468;MM155468;C=COC1C(N)C1(C)N;ZSYXKKAGXOTGOQ-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155469;MM155469;CC1(N)C(N)C1OC=O;RZVDUPCKKSSOLP-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155470;MM155470;C=COC1C(C)C1(C)O;LDMZXMAICMZASE-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155471;MM155471;CC1C(OC=O)C1(C)O;SSHYFMRBPCDOLU-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155472;MM155472;C=COC1C(N)C1(C)O;NQDJDQAEACESSI-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155473;MM155473;CC1(O)C(N)C1OC=O;RFOSAPFQKQXHSC-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155474;MM155474;C=COC1C(O)C1(C)O;DBISQSYQOSMXKY-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155475;MM155475;CC1(O)C(O)C1OC=O;GQHTXHZMWFNWGL-UHFFFAOYSA-N;132.12;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155476;MM155476;C=COC1C(C)C1(C)F;GRPNIHAVUTUDIS-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155477;MM155477;CC1C(OC=O)C1(C)F;SDWLIYYIJKBEMO-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155478;MM155478;C=COC1C(C)C1(F)F;UHTYBMMUAVNLDN-UHFFFAOYSA-N;134.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155479;MM155479;C=NOC1C(C)C1(C)C;NAWFNMJGLBYOSB-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155480;MM155480;C=NOC(C=CF)C(N)=O;MXBCWRUDGISTID-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155481;MM155481;C=NOC1C(C)C1(C)N;IBTJDASFXONXJJ-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155482;MM155482;CCC(OC)OC(=O)NN;BWYCPEMQXZITBJ-UHFFFAOYSA-N;148.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155483;MM155483;C#CC(=CC(=O)NN)CO;XMYRWGCSPYXHDU-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155484;MM155484;C=NOC1C(C)C1(C)F;PHKFNRYCOAWCDX-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155485;MM155485;C=NOC1C(C)C1(F)F;CKUFDYAHWADCIE-UHFFFAOYSA-N;135.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155486;MM155486;C#CC(C=C)NNC(C)=O;MVHINFCRQNBAND-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155487;MM155487;CN1C(CC#N)C1(C)C;WZUMCPYUKQKPNC-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155488;MM155488;COCCN(N)C(=O)NN;WKVWHLIVQHJPCI-UHFFFAOYSA-N;148.17;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155489;MM155489;CC1N(CC#N)C1(C)C;CUMOEJAVNJKBKO-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155490;MM155490;CC1N(NC=N)C1(C)C;SKIJMAWCZLLAOB-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155491;MM155491;CC1N(NC=O)C1(C)C;HUCQNVVHGTULMM-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155492;MM155492;C#CCC1C(C)C1(C)C;JULIEMHCGAPTBF-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155493;MM155493;C#CCC1C(N)C1(C)C;PNFVWKVZIJBEQP-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155494;MM155494;N#CCNCCC(O)C#N;KRVATMSYJQKZAC-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155495;MM155495;C#CCC1C(C)C1(C)N;ANUNHWZUZIQMLD-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155496;MM155496;C#CCC1C(N)C1(C)N;JBQFQWMUUONEEH-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155497;MM155497;C#CCC1C(F)C1(C)N;GVKHYDKKKRDWOI-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_N0";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155498;MM155498;C=CC(=C)CCNC=NO;LWKBSNDVYVINAX-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155499;MM155499;C#CCC1C(N)C1(C)O;SAFBTYUSPFYFGJ-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155500;MM155500;C#CCC1C(O)C1(C)O;WUASHZYOPNXKJY-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155501;MM155501;C#CCC1C(C)C1(C)F;USGVCYWREOMVNK-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155502;MM155502;C#CCC1C(N)C1(C)F;JQHRGRMTILBBKU-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155503;MM155503;C#CCC1C(O)C1(C)F;DJRIUCRHJPQZDI-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155504;MM155504;C#CCC1C(C)C1(F)F;RTAQWMFLCRLYML-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155505;MM155505;C#CCN1C(C)C1(C)C;PTJGVTXTOSVYOH-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155506;MM155506;CC1CCC(F)C1(C)C;MHLFMXVFLFNQNG-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155507;MM155507;CC1(C)C(N)CCC1F;ZWNDBXCXLIRTIT-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155508;MM155508;CC1OCC(N)C1(C)C;BDDCOPUHTLAQPQ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155509;MM155509;CC1CCN(C)C1(C)C;FGDZIAMRHXEPLG-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155510;MM155510;CN1CCC(N)C1(C)C;XKXMIYMWONOXEY-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155511;MM155511;CN1CCC(O)C1(C)C;ZPGSNALNPFRXCK-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155512;MM155512;C=C1CCC(C)C1(C)C;CUFJAXGBXJWZQI-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155513;MM155513;CC1CCC(=O)C1(C)C;AVFZQHWFGFKQIG-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155514;MM155514;C=C1CCC(N)C1(C)C;SXWPNBVAEAGYME-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155515;MM155515;CCN(O)C(=NC=O)NO;QMSUEBJQSLQSLX-UHFFFAOYSA-N;147.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155516;MM155516;CC1(C)C(=O)CCC1O;XVHMBUPUDJIIOX-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155517;MM155517;C=C1CCC(F)C1(C)C;WTLMDTXSXLEFQS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155518;MM155518;CC1(C)C(=O)CCC1F;IKWKJDMLQFBRJB-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155519;MM155519;CC1CNC(=N)C1(C)C;WCHGXZCOPXJSRH-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155520;MM155520;CC1CNC(=O)C1(C)C;LUCLDOSYMMNBFY-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155521;MM155521;CC1(C)C(=N)NCC1N;LGORDICCGAVGLX-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155522;MM155522;CC1(C)C(=O)NCC1N;SDMORDSHKGMDJC-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155523;MM155523;CC1(C)C(=N)NCC1O;OQOVHSPIUXXWQM-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155524;MM155524;CC1(C)C(=O)NCC1O;BOLNTUXHCXTGAQ-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155525;MM155525;CC1(C)C(=N)NCC1F;PILWPDFAMVDFIK-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155526;MM155526;CC1(C)C(=O)NCC1F;NGROKLUKLGGCSU-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155527;MM155527;C=C1OCC(C)C1(C)C;LTZPLJTVAYUYMY-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155528;MM155528;CC1COC(=O)C1(C)C;IXAVCHMWWILEOX-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155529;MM155529;C=C1OCC(N)C1(C)C;XJCARYDKRSDVIV-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155530;MM155530;CC1(C)C(=O)OCC1N;QCVHZRJJWCOLQQ-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155531;MM155531;C=C1OCC(O)C1(C)C;FQHIJVGFWPYKNN-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155532;MM155532;CC1(C)C(=O)OCC1O;ACIUPKGHYXBINT-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155533;MM155533;C=C1OCC(F)C1(C)C;PMURXXPAMSDWEY-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155534;MM155534;CC1(C)C(=O)OCC1F;SLJLPOFJVNLLOP-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155535;MM155535;C=C1CNC(C)C1(C)C;OMKCQOKGEYACFE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155536;MM155536;CC1NNC(=N)C1(C)C;CZBLTIAUXONEEF-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155537;MM155537;CC=C(C(N)=O)C(=O)NN;GMZRYQMNZUFACJ-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155538;MM155538;CC1NNC(=N)C1(C)N;WGINQKFFDHAFSU-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155539;MM155539;C=C1COC(C)C1(C)C;XCZNENTUYWWGTJ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155540;MM155540;CC1OCC(=O)C1(C)C;JHAGPHILORZPEC-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155541;MM155541;CC1ONC(=N)C1(C)C;BDTSCXWANXLSRP-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155542;MM155542;C=C1CCN(C)C1(C)C;KETYPWKDBSSPOP-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155543;MM155543;C=C1CCC(=C)C1(C)C;LGQVBDMZRSZYLX-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155544;MM155544;C=C1CCC(=O)C1(C)C;UJBOIONQCJWWCY-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155545;MM155545;CC1(C)C(=O)CCC1=O;VXVZVJNSRQRUTI-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155546;MM155546;C=C1CNC(=N)C1(C)C;PIJRPRMGEUEYLY-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155547;MM155547;C=C1CNC(=O)C1(C)C;XAWAKINYBYTHKX-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155548;MM155548;CC1(C)C(=N)NCC1=O;YHMSZQFELCMWKV-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155549;MM155549;CC1(C)C(=O)CNC1=O;BPXYCXQWVROGBV-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155550;MM155550;C=C1COC(=C)C1(C)C;CAFFZNCRODCRFO-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155551;MM155551;C=C1COC(=O)C1(C)C;BJHFVXGTXUUQPN-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155552;MM155552;C=C1OCC(=O)C1(C)C;IXRUIRNONDOUAN-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155553;MM155553;CC1(C)C(=O)COC1=O;IIGNDGQXVATIQU-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155554;MM155554;CC1(C)C(=N)NNC1=N;BWLOSLTWYOBURE-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155555;MM155555;CC1(C)C(=O)NOC1=O;DUYLZSKPAFMODM-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155556;MM155556;CC1C=NN(C)C1(C)C;MEYGNGLYZNOOBG-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155557;MM155557;N=c1c(=O)onc(N)n1O;DRZOERQPUTUMFM-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155558;MM155558;CCCC=CC(=NO)NN;JRPYOUBUEHRODD-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155559;MM155559;CC1N=CN(C)C1(C)C;QCVAWCIHAKTICN-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155560;MM155560;C#Cc1c[nH]c(N=O)c1C;ZHXJFEXWMAEKRN-UHFFFAOYSA-N;134.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155561;MM155561;C=C1C=CC(C)C1(C)C;PAFXYNWBQSJFCU-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155562;MM155562;CC1C=CC(=O)C1(C)C;BSIDPDBFBMZDDJ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155563;MM155563;C=C1C=CC(N)C1(C)C;JJMPABHGCLDYMT-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155564;MM155564;C=CC1(O)C=NOC1;FYRZMFHLPQHQTK-UHFFFAOYSA-N;113.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155565;MM155565;CC1(C)C(=O)C=CC1O;KXXNPFCWUOVVNF-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155566;MM155566;C=C1C=CC(F)C1(C)C;RAPQYEMILKYOGJ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155567;MM155567;CC1(C)C(=O)C=CC1F;KLUXUZXTFRVFJD-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155568;MM155568;CN1C=NC(=N)C1(C)C;OFDOGCFDHHCFSF-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155569;MM155569;CN1C=NC(=O)C1(C)C;IRHSDRLPMIMPBK-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155570;MM155570;CC1(C)C(=N)N=CN1N;VUEUSHDHMZGNDZ-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155571;MM155571;CC1(C)C(=O)N=CN1N;AQRYHKDVKKHKCX-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155572;MM155572;NN=Cc1c[nH]cn1;CXIZFYUSOPKAGJ-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155573;MM155573;CC1(C)C(=O)N=CN1O;HHKPTTRGHJITOM-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155574;MM155574;C=C1C=NN(C)C1(C)C;CIVPKTFRULYKLU-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155575;MM155575;CN1N=CC(=O)C1(C)C;DVFJMWOYSZCICR-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155576;MM155576;C=C1C=CC(=C)C1(C)C;IAQRUJFDMCPIQF-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155577;MM155577;C=C1C=CC(=O)C1(C)C;LUIOULNCEGCESJ-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155578;MM155578;CC1(C)C(=O)C=CC1=O;GEUFDMBDBYQALJ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155579;MM155579;CC1=CCC(C)C1(C)C;GIWLJNMZOKQJPD-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155580;MM155580;CC1CC=C(F)C1(C)C;ZHIAATYEDCJMCB-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155581;MM155581;CC1=CCC(N)C1(C)C;PGTSTYHXPYZSTO-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155582;MM155582;CC1(C)C(F)=CCC1N;UAVWBLMERMHAIB-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155583;MM155583;CN(C=NO)C(C)(C)C;KEVYDPAKDFPYAJ-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155584;MM155584;CC1(C)C(F)=CCC1O;XDBLXDGEIACIRR-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155585;MM155585;CC1=CCC(F)C1(C)C;OCKVPMNIHXVQDH-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155586;MM155586;CC1(C)C(F)=CCC1F;SIVIOXNPQGFBHV-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155587;MM155587;CC1=NNC(C)C1(C)C;AMOSXPSNIWNMIS-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155588;MM155588;CC1=COC(C)C1(C)C;FEJOXTYLRYNNCS-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155589;MM155589;CC1OC=C(F)C1(C)C;XWJVIEYZXRLHQZ-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155590;MM155590;CC1=NOC(C)C1(C)C;HKWBVVXVAGIIOV-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155591;MM155591;CC1=CCN(C)C1(C)C;OTUYETBIIGCETO-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155592;MM155592;C=C1CC=C(C)C1(C)C;UWYQFSKXXNIRHY-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155593;MM155593;C=C1CC=C(F)C1(C)C;AAADOYVYLCOBSI-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155594;MM155594;CC1=CCC(=O)C1(C)C;NYQGWGPJHCJZSF-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155595;MM155595;CC1(C)C(=O)CC=C1F;FOAOCGGTXJEQHO-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155596;MM155596;CC1=CNC(=N)C1(C)C;QKNHEEAAGNCRQN-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155597;MM155597;CC1(C)C(=N)NC=C1F;NNBGTWCAGQGGJY-UHFFFAOYSA-N;128.15;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155598;MM155598;CC1=CNC(=O)C1(C)C;MVBJYNXENHHRSA-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155599;MM155599;CC1(C)C(=O)NC=C1F;ZZIJNYAWTQYMSS-UHFFFAOYSA-N;129.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155600;MM155600;CN(C=O)CC(=O)NN;IFOQAMMOARQDSN-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155601;MM155601;CC1=NNC(=O)C1(C)C;OYYADIVZIRDZGB-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155602;MM155602;C=C1OC=C(C)C1(C)C;WQFAHFSTVVOFIH-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155603;MM155603;C=C1OC=C(F)C1(C)C;HLHBMULDJWVVKR-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155604;MM155604;CC1=COC(=O)C1(C)C;GLICLJQGAUMKMX-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155605;MM155605;CC1(C)C(=O)OC=C1F;NWQYBVGTHDTPLH-UHFFFAOYSA-N;130.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155606;MM155606;CC1=NOC(=O)C1(C)C;WLXWANANAQCMMM-UHFFFAOYSA-N;127.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155607;MM155607;CC1=CC=C(C)C1(C)C;LSFQBLLDQCVIGF-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155608;MM155608;CC1=CC=C(F)C1(C)C;OZEDEYGUCPHFRN-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155609;MM155609;CC1=NN=C(C)C1(C)C;AIHABYFCZQBWLH-UHFFFAOYSA-N;124.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155610;MM155610;CCCCC(C)CCC;DOGIHOCMZJUJNR-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155611;MM155611;CCCC(C)CCCN;FFAFBLIKEVZQGQ-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155612;MM155612;CCCC(C)CCCO;LLUQZGDMUIMPTC-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155613;MM155613;CCCC(C)CCCF;JGMBJWRLEAYIHH-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155614;MM155614;CCCCC(C)CCN;GZBNXCDIZIXEAJ-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155615;MM155615;CC(CCN)CCCN;LTZQJVGOFCCDQA-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155616;MM155616;CC(CCN)CCCO;XKVLHBCXNJMYTO-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155617;MM155617;CC(CCN)CCCF;RRSHZWXXSQQMCZ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155618;MM155618;CC(CCO)CCCN;HHDCUJVXEYZIIK-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155619;MM155619;CC(CCF)CCCN;HHCCDOMNUKVJGR-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155620;MM155620;CC(CCF)CCCF;SIUWNFBOENXVBT-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155621;MM155621;CCCCC(N)CCC;PSBKYMODPYHLAW-UHFFFAOYSA-N;129.25;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155622;MM155622;CCCC(N)CCCN;APWFJLJAQRZQIV-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155623;MM155623;CCCC(N)CCCO;OJMDWJTUKILDPX-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155624;MM155624;CCCC(N)CCCF;JPELHWLPQAEIMP-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155625;MM155625;CCCCC(N)CCN;DNDUSOASNMMTNN-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155626;MM155626;NCCC(N)CCCO;QWQICCYOMMKYQT-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155627;MM155627;CCCCC(N)CCF;CVJYLLSEDWBJIH-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155628;MM155628;C#CCNC(=O)NNC;XSTDGAQUVHZZOO-UHFFFAOYSA-N;127.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155629;MM155629;CCCC(O)CCCN;BBYPSSMUVHWLOD-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155630;MM155630;CCCC(O)CCCO;OGRCRHSHBFQRKO-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155631;MM155631;CCCC(O)CCCF;GUGSSRSZHJTZGC-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155632;MM155632;CCCCC(O)CCN;GXMSOADYSNPWRB-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155633;MM155633;NCCC(O)CCCF;KEFWGHXYMFPQFO-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155634;MM155634;CCCCC(O)CCF;RZYULFKPZNCXTB-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155635;MM155635;CCCCC(F)CCC;HIGTZBTZEODYCD-UHFFFAOYSA-N;132.22;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155636;MM155636;CCCC(F)CCCF;WMLKZNVPKGLKBR-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155637;MM155637;OCCCC(F)CCF;LMELVUZJMGGWCX-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155638;MM155638;CCCC(C)CCNC;QXLCNGNOIPLVTR-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155639;MM155639;CNCCC(C)CCO;HDELJFJGRGFQBX-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155640;MM155640;CNCCC(C)CCF;OURAITVLWXAJOD-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155641;MM155641;CCCC(N)CCNC;DCCIMWUXHFXMCA-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155642;MM155642;CCCC(O)CCNC;YHYKJYPNENAKRI-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155643;MM155643;CNCCC(O)CCO;UYOIQNGQMSJHRX-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155644;MM155644;CNCCC(F)CCN;FPWQELLZCGKPNW-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155645;MM155645;CCCC(N)CCOC;QTWFPPJTXUKHTD-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155646;MM155646;COCCC(N)CCN;GIXVZKLRJSADNU-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155647;MM155647;COCCC(O)CCO;XVFKXCCDDDAWFG-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155648;MM155648;CCCCC(C)CNC;JINMQTUDKFCYJG-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155649;MM155649;CNCC(C)CCCO;NYMXGFMJZMBYIO-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155650;MM155650;CNCC(C)CCCF;ABCJCTICQUGLDA-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155651;MM155651;CCCCC(N)CNC;XLSFTUPXUYQGAL-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155652;MM155652;CNCC(N)CCCO;LDBIRYNWWWPRFS-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155653;MM155653;CNCC(O)CCCO;PTTMDJDVDRRIHH-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155654;MM155654;CCCCC(F)CNC;YSIPSJKPANLSHD-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155655;MM155655;CNCCC(C)CNC;RFJSAOJSFFKJAP-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155656;MM155656;CNCC(C)CCOC;KMZMHDOHRJJMSJ-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155657;MM155657;CNCC(O)CCOC;XCSRERHITKFCTK-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155658;MM155658;COCC(O)CCCN;UCRBIIWXSLMHBR-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155659;MM155659;COCC(O)CCCO;IGFUHYDQBCHKKF-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155660;MM155660;COCC(F)CCCF;VIHZQJYSEANJMU-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155661;MM155661;CNCCC(C)COC;QJXOUTNTDUBXCL-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155662;MM155662;CNCCC(O)COC;KUJTYHUEDCKCEK-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155663;MM155663;COCCC(N)COC;GIOFZLWAYGNGDH-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155664;MM155664;COCCC(O)COC;KTEMBPQVATVIDV-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155665;MM155665;CCNCC(C)CCN;QIDZHPRFAHERPX-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155666;MM155666;CCNCC(C)CCF;ALVVNRDLUOQGLF-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155667;MM155667;CCCC(N)CNCC;MXKSSOXEWRLPCN-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155668;MM155668;CCCC(O)CNCC;KEQCTICWZCJSLK-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155669;MM155669;CCNCC(O)CCO;FIUIRBCYOHMWOH-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155670;MM155670;CCCC(F)CNCC;PHURCSVTBKZSPL-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155671;MM155671;CCNCC(F)CCN;MHPBOZIMNNQPMD-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155672;MM155672;CCNCC(F)CCO;HGMHYUKRHKURIG-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155673;MM155673;CCNCC(F)CCF;AZMURWULWHRYIH-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155674;MM155674;CCNCC(C)CNC;NEJMFHQKVCUTPQ-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155675;MM155675;CCNCC(C)COC;LCIKGWMOPBRZMI-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155676;MM155676;CCNCC(O)COC;NLEGMGDRVMWQPR-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155677;MM155677;CCCC(C)COCC;MPXCYKUDZGXIAS-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155678;MM155678;CCCC(N)COCC;ZFAGKVSENLSINU-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155679;MM155679;CCOCC(N)CCN;URTDTGQRDBXTOE-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155680;MM155680;CCOCC(O)CCO;XBKQSPZKEPYMSS-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155681;MM155681;CCCC(F)COCC;XQAVTKDUSIOEHL-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155682;MM155682;CCOCC(F)CCF;SILATOIXWAEDOE-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155683;MM155683;CCOCC(O)CNC;KRLGBOFVNOKXIA-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155684;MM155684;CCOCC(O)COC;JDCQYZHLLFSEGP-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155685;MM155685;CCCCC(C)NCC;IMBQZPYQVQWPTP-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155686;MM155686;CCNC(C)CCCN;WRSXJIOJAXODPC-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155687;MM155687;CCNC(C)CCCO;GKRDONKUWOYLJS-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155688;MM155688;CCNC(C)CCOC;YKKCLPHPWLIVRC-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155689;MM155689;CCNCC(C)NCC;VECZPMZNUKYYOJ-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155690;MM155690;CCCNC(C)CCC;OXTYFLOKCZIREK-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155691;MM155691;CCCC(C)NCCN;SQMAQBYWHIGASI-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155692;MM155692;CCCC(C)NCCO;YGOWPDFSHXDZOL-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155693;MM155693;CCCC(C)NCCF;WGVPDUYIUKHRKA-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155694;MM155694;CCCNC(C)CCN;KYHDADGJKYQDNP-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155695;MM155695;CC(CCN)NCCN;SMXHAWVGJSVTQP-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155696;MM155696;CCCNC(C)CCO;KWJATNVRPJTLOT-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155697;MM155697;CCCNC(C)CCF;YUSMBOFXHJIPQY-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155698;MM155698;CNCC(C)NCCN;DJZNRPBNPBTNIQ-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155699;MM155699;CNCC(C)NCCO;DANDCVYCRMXIPG-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155700;MM155700;CNCC(C)NCCF;XFXNFWDDWLASFP-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155701;MM155701;CCCOC(C)CCC;OSUBGYWBFKZJLC-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155702;MM155702;CCCC(C)OCCN;SYYVANAUQRSLAX-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155703;MM155703;CCCC(C)OCCO;OJJUCAQFBVCYIW-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155704;MM155704;CCCC(C)OCCF;WDYZGPXSHVGJAM-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155705;MM155705;CC(CCN)OCCF;YQMSDSLIOOMNOO-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155706;MM155706;CCCC(C)OCOC;DNQMZGISQYXQEH-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155707;MM155707;COCOC(C)CCN;KXDUGSXVUVWOBC-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155708;MM155708;CCOC(C)OCCF;JKIWKDAHOXPPTJ-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155709;MM155709;CCOC(C)OCOC;JJCJNBVVHZTPDS-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155710;MM155710;CCCCN(C)CCC;CUIPDDJPSUECRB-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155711;MM155711;CCCN(C)CCCN;SMGLLZNMFIPPIT-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155712;MM155712;CCCN(C)CCCO;HYZSAVPHAAUKMS-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155713;MM155713;CCCN(C)CCCF;NRLLPYMMDWAXKI-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155714;MM155714;CCCCN(C)CCN;BCHCXIHUKWIMHC-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155715;MM155715;CN(CCN)CCCO;BGBRROYMRJIQFT-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155716;MM155716;CN(CCN)CCCF;GLQRNQSYHZKZSN-UHFFFAOYSA-N;134.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155717;MM155717;CCCCN(C)CCO;YSNMZQFDMNKNFQ-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155718;MM155718;CN(CCO)CCCN;UOQYWMZLTNEIFI-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155719;MM155719;CN(CCO)CCCO;WWQRLJUBLMVTOL-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155720;MM155720;CCCN(C)CCNC;FMKDTXYAQSQZSJ-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155721;MM155721;CNCCN(C)CCO;AFYRRIVBYFQVJL-UHFFFAOYSA-N;132.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155722;MM155722;CCCN(C)CCOC;XCSWHXMGSPOSFN-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155723;MM155723;COCCN(C)CCO;GPPXJGVECOPHES-UHFFFAOYSA-N;133.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155724;MM155724;C=CCCC(C)CCC;NGXVSPIYGVZKOB-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155725;MM155725;CCCC(C)CCC=O;KQXBFBQRLHMLIS-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155726;MM155726;CCCC(C)CCC#N;GPMVVCVSEPZSRE-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155727;MM155727;C=CCCC(C)CCN;OIFQAECUARVRFU-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155728;MM155728;C=CCCC(N)CCC;CVZBUSLENFDCHF-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155729;MM155729;O=CNNCC1(F)CC1;IOQSEWYWVXYLOJ-UHFFFAOYSA-N;132.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155730;MM155730;CCCC(O)CCC=O;BIXSHYPXFVSGBY-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155731;MM155731;C=CCCC(O)CCO;SKHNNHZFSJEUKO-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155732;MM155732;O=CCCC(O)CCO;SBYXHKUROPTPBU-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155733;MM155733;C=CCCC(F)CCC;QKRJEMNBYJRUCM-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155734;MM155734;CCCC(F)CCC=O;GVFZBAYWHYFXQI-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155735;MM155735;CCCC(F)CCC#N;WXEIGNVEAWHSKG-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155736;MM155736;O=CCCC(F)CCO;XDZSZQSHGJPZOI-UHFFFAOYSA-N;134.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155737;MM155737;C=CCCC(F)CCF;VLTPGNCJLCEATC-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155738;MM155738;O=CCCC(F)CCF;WSMTZGSLHMSBHD-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155739;MM155739;C=CCCC(C)CNC;DTSZVHAWJSIUAC-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155740;MM155740;CNCC(C)CCC=O;BLJQTKLFFAMDPS-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155741;MM155741;CNCC(O)CCC#N;VDYDDCHPARSJSR-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155742;MM155742;C=CCCC(F)CNC;PHOMPUMFBXFPGX-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155743;MM155743;COCC(C)CCC#N;LNZXJJCEISYCDZ-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155744;MM155744;C=C1CN(N)C(=O)C1O;YCSMRQLGROOFLU-UHFFFAOYSA-N;128.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155745;MM155745;CC(CCN)CNC=N;RJZNAZRKNPWKFJ-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155746;MM155746;CC(CCN)CNC=O;WFTHBAKRQXHQQE-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155747;MM155747;CC(CCO)CNC=N;TVRGMUNZDAOROB-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155748;MM155748;CCNc1cn(O)cn1;VZUGYONAIZOKKT-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155749;MM155749;CC(CCF)CNC=N;JOBDFWLUNOXLFC-UHFFFAOYSA-N;132.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155750;MM155750;CCCC(N)CNC=O;LWVUAEHWWLVRNK-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155751;MM155751;CCCC(O)CNC=N;IPJYSFWUMPJKQJ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155752;MM155752;N=CNCC(O)CCN;KXZDQSDBOUVVNH-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155753;MM155753;NCCC(O)CNC=O;WARLOPFBPHSGEO-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155754;MM155754;CCCC(F)CNC=N;SORVDRLDRVXSLY-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155755;MM155755;N=CNCC(F)CCF;YBYXERBAIZEKSZ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155756;MM155756;C=NNCC(C)CCC;PRCWDLCWCMBBPP-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155757;MM155757;C=NNCC(O)CCN;NPYMXISPQDYVSD-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155758;MM155758;C#CC(O)C1(C#C)CN1;CITUJGMUOIQAAE-UHFFFAOYSA-N;121.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155759;MM155759;CNCC(O)CNC=N;KERBRMUCATZAFD-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155760;MM155760;CNCC(O)CNC=O;DAKNNAVJRFBTOP-UHFFFAOYSA-N;132.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155761;MM155761;C=NNCC(C)CNC;SIEYMJOUKXEKHF-UHFFFAOYSA-N;129.21;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155762;MM155762;C=NNCC(O)CNC;FEMHGLQESMRFIG-UHFFFAOYSA-N;131.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155763;MM155763;COCC(N)CNC=N;LNIGUXAGHZXUKB-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155764;MM155764;COCC(O)CNC=N;IHFLGCBRLBTIIT-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155765;MM155765;COCC(O)CNC=O;PYBDEKJDVKFQIQ-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155766;MM155766;COCC(F)CNC=O;GBSRUSNBOIBBIN-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155767;MM155767;C=NNCC(F)COC;GKLBDMFMXBCURM-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155768;MM155768;CCCC(C)COC=O;KYHHSTLLLQRFHJ-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155769;MM155769;CC(CCN)COC=O;PPBGVJKCZMHKIG-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155770;MM155770;CC(CCF)COC=O;WQQQUILXBUJZQW-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155771;MM155771;C=COCC(N)CCC;BRFOBRIMMNBSPW-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155772;MM155772;NC(CCF)COC=O;OFIVZJDOZSYDBL-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155773;MM155773;C=COCC(O)CCC;CAIQCGPZXJGSBY-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155774;MM155774;NCCC(O)COC=O;KQWLLMTUOPQQNC-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155775;MM155775;C=COCC(F)CCC;CQDBUIUAFZXJQL-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155776;MM155776;CCCC(F)COC=O;UGNIFUJYCDENRV-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155777;MM155777;C=COCC(F)CCF;IYPGVLMBDMRAIW-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155778;MM155778;C=NOCC(C)CCC;BUKPRKYRNSQKBS-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155779;MM155779;C=NOCC(O)CCN;XMCKKHCZKOHIEF-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155780;MM155780;C=NOCC(F)CCC;VBJGRFYIQWTHOR-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155781;MM155781;C=NOCC(F)CCN;DYODIECDKJMZJN-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155782;MM155782;C=NOCC(F)CCF;LQZPSCGNJCBNER-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155783;MM155783;C=COCC(C)CNC;GWSDHDIUAREKOP-UHFFFAOYSA-N;129.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155784;MM155784;CNCC(O)COC=O;SKPXGVGXDRVZGJ-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155785;MM155785;C=NOCC(O)CNC;XTPDKSJUXFIMBF-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155786;MM155786;C=COCC(N)COC;LZQYSFLCGRJIIU-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155787;MM155787;COCC(N)COC=O;NNSQAHTXFGPBIF-UHFFFAOYSA-N;133.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155788;MM155788;COCC(O)COC=O;IWPNHPZNVCWNEJ-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155789;MM155789;COCC(F)COC=O;PZZKCOPHJWSGBL-UHFFFAOYSA-N;136.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155790;MM155790;CCNC(C)CCC=O;MZEZCUYJMALRPI-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155791;MM155791;CCNC(C)CNC=N;NUHFWAAKVYICMP-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155792;MM155792;CCNC(C)CNC=O;QVGFILFRPMWUES-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155793;MM155793;CCOC(C)CCC#N;JFVKOTVJJGKYBY-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155794;MM155794;C=COCC(C)OCC;ODSQCHUEHAGMIH-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155795;MM155795;CCOC(C)COC=O;XVYXDNPJEZUULC-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155796;MM155796;C=NOCC(C)OCC;MFDSHNGPQSBFOM-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155797;MM155797;C=CCNC(C)CCC;OHMPIQOZXCOSLG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155798;MM155798;CCCC(C)NCC#N;VOERWDRIENHWPM-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155799;MM155799;C=CCNC(C)CCF;MKJILIRJMDNWRD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155800;MM155800;CNCC(C)NCC#N;QURHXGXUJIDQTC-UHFFFAOYSA-N;127.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155801;MM155801;OC(C#CC1CN1)CF;DIBPZZIRCIHXIX-UHFFFAOYSA-N;129.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155802;MM155802;CNCC(C)NNC=N;KUZIAGRJGNBKKJ-UHFFFAOYSA-N;130.2;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155803;MM155803;C=CCOC(C)CCC;DOOJTRZOVBZPER-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155804;MM155804;CCCC(C)OCC=O;QASHJVAMIRKARZ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155805;MM155805;CCCC(C)OCC#N;VQABDEKFMYFZLA-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155806;MM155806;C=CCOC(C)CCN;BPFQTSSESMFAFK-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155807;MM155807;CC(CCF)OCC=O;NGZCZBLWDCPPBP-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155808;MM155808;CC(CCF)OCC#N;HINNMAFSXRJPBG-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155809;MM155809;C=CCOC(C)CNC;SBYFFDYEMMIRBC-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155810;MM155810;CNCC(C)OCC=O;UBNFZRMHLCIDJW-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155811;MM155811;C=CCOC(C)COC;SMAVTTKETHFVHI-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155812;MM155812;CCCC(C)ONC=N;SFBGQDAFMMFYBM-UHFFFAOYSA-N;130.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155813;MM155813;CCCC(C)ONC=O;AINSJKFSKUQBDL-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155814;MM155814;CC(CCF)ONC=O;PKOAPLPKSUMWCE-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155815;MM155815;COCC(C)ONC=O;UCHPIQWXQVRJIC-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155816;MM155816;CCOC(C)OCC=O;GPHQLMCHFJFYPJ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155817;MM155817;C=CCCN(C)CCC;SWBMVMQHGKBHOT-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155818;MM155818;C#CCCC(C)CCN;NQLBALFRIIFJTI-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155819;MM155819;C#CCCC(N)CCC;FBYVBKHHMFWRNN-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155820;MM155820;C#CCCC(N)CCF;JXDAOCCAAPYTRV-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155821;MM155821;C#CCCC(O)CCN;PSIQTFJMRYGGKN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155822;MM155822;C#CCCC(C)CNC;LIKKLJZOLWQLSS-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155823;MM155823;C#CCCC(N)CNC;VIZYHPWNZIEGBV-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155824;MM155824;C#CCCC(F)CNC;RESPUUIJSGWAAO-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155825;MM155825;C#CCCC(C)COC;HNWVCAQEJGVDKY-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155826;MM155826;C#CCCC(N)COC;IEBJEXNLRKVDGV-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155827;MM155827;C#CCCC(O)COC;LGIYODUGZBHSIX-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155828;MM155828;C#CCCC(C)NCC;UXSXEZGACLPMQR-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155829;MM155829;C#CCCC(C)OCC;IMWASBZJJXGOTL-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155830;MM155830;C#CCNC(C)CCC;AAUVMOAJOZSPSH-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155831;MM155831;C#CCNC(C)CCN;ISKAEBDBLQHNSW-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155832;MM155832;C#CCNC(C)CCO;YFQUXVIIEZSTHI-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155833;MM155833;C#CCNC(C)CCF;SZPVCXDCYMEOJK-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155834;MM155834;C#CCNC(C)CNC;ZEJGZLZNYDBULU-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155835;MM155835;C#CCOC(C)CCC;OAIKXDPMVFTVNE-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155836;MM155836;C#CCOC(C)CCF;BJAIMOHBWSUVGS-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155837;MM155837;C#CCOC(C)OCC;QKBBTQJLUGADEG-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155838;MM155838;C#CCCN(C)CCC;PDARNUZCZIEGCQ-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155839;MM155839;C=CCC(C)CCCC;XWJMQJGSSGDJSY-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155840;MM155840;C=CCC(C)CCCN;QNXYZRKZZOMBQG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155841;MM155841;C=CCC(C)CCCO;FQHWNCOVAVASFQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155842;MM155842;C=CCC(C)CCCF;SUGBXCKWGWZARW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155843;MM155843;CCCCC(C)CC#N;FNVNYWLQBGDZSC-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155844;MM155844;CC(CC=O)CCCO;KXDATBUHUVADMQ-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155845;MM155845;CC(CC#N)CCCO;JYSLLMPKWURAJB-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155846;MM155846;CC(CC#N)CCCF;DUOYGUMHTOFZCN-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155847;MM155847;C=CCC(N)CCCC;SHDLIVAQGOSUIM-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155848;MM155848;C=CCC(N)CCCF;ZAMASMJMTNMMAV-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155849;MM155849;C=CCC(O)CCCF;CVHINPOWJYFQJM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155850;MM155850;N#CCC(O)CCCO;FKVZIWKNBHNCMP-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155851;MM155851;N#CCC(O)CCCF;WWKKDBQAULIGOH-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155852;MM155852;C=CCC(F)CCCN;JDPVTAFDADRREL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155853;MM155853;C=CCC(F)CCCO;YIELOHOHCZLZHY-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155854;MM155854;C=CCC(F)CCCF;JSVRUZCHYCMXCL-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155855;MM155855;CCCCC(F)CC=O;IOJFWCPVEMXZOH-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155856;MM155856;N#CCC(F)CCCO;PQSQEPQMJAEACX-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155857;MM155857;N#CCC(F)CCCF;DVXKLNFBRHRVQL-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155858;MM155858;C=CCC(C)CCNC;OYLZGQJKEZBOKC-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155859;MM155859;CNCCC(C)CC=O;HSQAXDMLRDCUMC-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155860;MM155860;C=CCC(F)CCNC;WVAXQVUHZQXKBO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155861;MM155861;CNCCC(F)CC=O;IYARXDKTYNPGID-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155862;MM155862;C=CCC(C)CCOC;ODMPFYIMVKVXJH-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155863;MM155863;COCCC(C)CC#N;KTFDXXCFQHHWAH-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155864;MM155864;C=CCC(N)CCOC;DSKZEYUMULHHSU-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155865;MM155865;COCCC(O)CC=O;RSQNYBOSICJYGU-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155866;MM155866;C=CCC(F)CCOC;IJGRXGFBYVSZAQ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155867;MM155867;C=CCC(C)CNCC;CCIUFWZFYQRAEA-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155868;MM155868;CCNCC(C)CC=O;RVYVFIIMTRGNPP-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155869;MM155869;C=CCC(O)CNCC;GLZSRTDLGKNWFR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155870;MM155870;CCNCC(O)CC=O;IZYLGBIHRVUSFC-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155871;MM155871;CCNCC(O)CC#N;MHCQKHPTDGIEFT-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155872;MM155872;C=CCC(F)CNCC;GMAJVSRAZLJIGL-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155873;MM155873;C=CCC(C)COCC;LKYATDLITDILMI-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155874;MM155874;CCOCC(C)CC#N;MMUABENTEGVSDH-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155875;MM155875;C=CCC(N)COCC;YEIPZSGFPPWIRG-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155876;MM155876;CCOCC(O)CC=O;RHRDINOJAIEVRE-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155877;MM155877;C=CCC(F)COCC;FQQSNLKBFFBCNS-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155878;MM155878;CC(CCCN)NC=N;HCBKUCKNQJQOPR-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155879;MM155879;CC(CCCO)NC=N;NJPILVYSIMCPHL-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155880;MM155880;CC(C)(F)CNNC(N)=O;MNRJJWLAHTZBHM-UHFFFAOYSA-N;149.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155881;MM155881;CC(CCCN)NC=O;YTVRMTKCRJXQND-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155882;MM155882;CNNC(=O)NCC(C)=O;CKEBARVTKFZJLL-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155883;MM155883;CNCCC(C)NC=N;GGYNIBPWFTVOCL-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155884;MM155884;CC(F)=CCNC(=O)NN;AGEWGTVNMGMRRK-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155885;MM155885;C=NNC(C)CCCC;RQBRZLZOXSOHSL-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155886;MM155886;CCNCC(C)NC=N;YFKIVTPWDXFMJR-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155887;MM155887;CCNCC(C)NC=O;LXALUGWIZVEEMS-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155888;MM155888;C=COC(C)CCCO;QBTZDOZIBHOHGD-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155889;MM155889;C=COC(C)CCCF;WOUGQRTZLNRYLS-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155890;MM155890;C=COC(C)CCNC;TXCLAIDZFURNRX-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155891;MM155891;C=COC(C)CCOC;UGCJOYVDWDEOFT-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155892;MM155892;COCCC(C)OC=O;HOGQATJCSWRKTP-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155893;MM155893;CNNC(=O)NC(C)C=O;IYFXVLBDGKLKHW-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155894;MM155894;C=NOC(C)CCCF;CPGIRJTWPMCAKP-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155895;MM155895;C=NOC(C)CCOC;JNPSJBLAFAQTHI-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155896;MM155896;C=COC(C)CNCC;FNRNAUIPSGQUHY-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155897;MM155897;C=CCC(C)NCCC;XOKTVAKMHQCMEV-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155898;MM155898;C=CCC(C)NCCF;OALGLKXZZMDLCF-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155899;MM155899;CCCNC(C)CC=O;XZFFFZHBEORGFS-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155900;MM155900;C=CCC(C)OCCN;NOZSBSWRLCQYBP-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155901;MM155901;C=CCC(C)OCCO;ORFUMAQJJXLWMW-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155902;MM155902;C=CCC(C)OCCF;ZSXXGUMYBVSDPL-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155903;MM155903;CCCOC(C)CC#N;WWLKOXRYKQZHSU-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155904;MM155904;CC(CC=O)OCCO;VPLFMAQFOITILB-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155905;MM155905;C=CCC(C)OCOC;PMFCGJUMYCLHAE-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155906;MM155906;COCOC(C)CC=O;QMLOPHHMLMSUAU-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155907;MM155907;C=COC(C)OCCC;YRQCMYXMJKYWLG-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155908;MM155908;C=COC(C)OCCF;XTVFINXWPATRET-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155909;MM155909;C=CCN(C)CCCC;DCEKOMOFQSMZIM-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155910;MM155910;C=CCN(C)CCCN;MHQGXDNNNCBMBD-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155911;MM155911;C=CCN(C)CCCO;ZQILHPFLNQAPHL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155912;MM155912;C=CCN(C)CCCF;PTTPGRVIJJYVSL-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155913;MM155913;CC#CC(C)OC(=O)NN;UHEAKRUUWQHGGH-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155914;MM155914;C=CCN(C)CCNC;NZIXRIJOSIKXTJ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155915;MM155915;CNCCN(C)CC#N;JLNWPUFJTJKTFJ-UHFFFAOYSA-N;127.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155916;MM155916;CCCCN(C)NC=N;JVTOFXUTBNAPSX-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155917;MM155917;CN(CCCN)NC=O;QXCIGEIFFHLJKH-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155918;MM155918;CN(CCCO)NC=O;RBOBFTSMQFEPFE-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155919;MM155919;CNCCN(C)NC=N;JMYOTTYAUHXHNW-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155920;MM155920;COCCN(C)NC=N;NFDRHEZWDPPSGY-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155921;MM155921;COCCN(C)NC=O;ABMHYHHISNEMEK-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155922;MM155922;C=CCCC(C)CC=C;VMTIBEFOMPMORT-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155923;MM155923;C=CCC(C)CCC=O;OEISBXNHNKJQHY-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155924;MM155924;C=CCC(C)CCC#N;CUDICXWORWJBIP-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155925;MM155925;C=CCCC(C)CC=O;VDBODONVPVXCTI-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155926;MM155926;C=CCCC(C)CC#N;UMUMRQWXGOIUDU-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155927;MM155927;CC(CC=O)CCC=O;REOYKRDMVBXLRN-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155928;MM155928;CC(CC#N)CCC=O;XEEYAKYOQINHIY-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155929;MM155929;CC(CC#N)CCC#N;WVTXGJBTGFOYSF-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155930;MM155930;C=CCC(O)CCC#N;JDAKHXNUSVHTGP-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155931;MM155931;C=CCCC(O)CC=O;VJQYQQLRJMQTFI-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155932;MM155932;C=CCC(F)CCC=O;OUPAMIMYBSJZRO-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155933;MM155933;C=CCCC(F)CC=O;KWQQUNABUCFTQM-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155934;MM155934;O=CCCC(F)CC=O;RLVDQNMZQPOOGL-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155935;MM155935;C=CCC(C)CNC=N;RQCCHJPTDBZIEG-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155936;MM155936;CON=CCN(C)NC=O;ATSBFNVDIJKXIF-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155937;MM155937;C=CCC(N)CNC=O;YUVMJRGXSWZHDH-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155938;MM155938;C=CCC(O)CNC=N;IVHBCRRRMHHIFS-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155939;MM155939;C=CCC(O)CNC=O;RIFDNYZDVUBPFL-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155940;MM155940;C=CCC(C)CNN=C;XDSNPXSTMZIHJV-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155941;MM155941;CNNC(=O)N(C)C(C)=N;SNNXPGBGESJXDS-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155942;MM155942;C=CCC(F)CNN=C;CAKYMHPUKPQHCH-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155943;MM155943;C=CCC(C)COC=O;CNLOJZZLVKHWGS-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155944;MM155944;C=COCC(C)CC=O;VOOORAQXCNMWSY-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155945;MM155945;CC(CC=O)COC=O;XIHAKKXHBDZETD-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155946;MM155946;C=CCC(O)COC=C;VRDUVTJONZVGBR-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155947;MM155947;C=COCC(O)CC=O;JKDQJLRLAQBWJL-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155948;MM155948;O=CCC(O)COC=O;GDXFJJFBMDKUEI-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155949;MM155949;C=CCC(F)COC=O;URPRXNZVYZNHRZ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155950;MM155950;C=COCC(F)CC=O;LHQBACIPOPGSPY-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155951;MM155951;C=COCC(F)CC#N;RJDPPQPQLASIDN-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155952;MM155952;C=CCC(C)CON=C;MKENOGQQATUELX-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155953;MM155953;Cn1nc(CC#N)cc1N;OCOVQJJSYSKBGM-UHFFFAOYSA-N;136.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155954;MM155954;C=CCC(F)CON=C;FDEAVPPTDZQKIP-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155955;MM155955;C=CCCC(C)NC=N;VAFSDRJMVKSSAC-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155956;MM155956;CN=C(CF)NNC(N)=O;TYAVAVJBVUAQCR-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155957;MM155957;C=CCCC(C)NN=C;OQKMCVIMOAHTLS-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155958;MM155958;CN(NCCO)C(=O)NN;AYERBKKNDINSRB-UHFFFAOYSA-N;148.17;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155959;MM155959;C=NOCCOC(=O)NN;PSKBRDXCMMIPBD-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155960;MM155960;C=NOCC(C)NC=N;RQJRQBDQPQAXTB-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155961;MM155961;C=CC(=O)NNCC=CF;JYTWOHGPQCOYKE-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155962;MM155962;C=COCC(C)NN=C;NTWZWWJTHZSGFV-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155963;MM155963;C=CCCC(C)OC=C;BSFFUVRKFFZYFA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155964;MM155964;C=COC(C)CCC=O;LBKYGWIXHVNFHK-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155965;MM155965;C=COC(C)CCC#N;XMLXQPOKAQYJRK-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155966;MM155966;C=NNC1C(C)C1(O)C=O;NFYJPBZLSLFASW-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155967;MM155967;C=NOC(C)CCC#N;FSMLAEGOVHGUSV-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155968;MM155968;C#CC(O)C(CO)ON=C;JNLXTGBVJHZNGP-UHFFFAOYSA-N;143.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155969;MM155969;C=COC(C)CNN=C;YVUIBRWEQXUSQK-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155970;MM155970;C=NOC(C)CNC=N;QFHZKNHVNOWEIO-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155971;MM155971;C#CC(O)C(CF)ON=C;YSPLSZFTTQUTCX-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155972;MM155972;C=COCC(C)OC=C;LXSVCBDMOGLGFA-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155973;MM155973;C=COC(C)COC=O;ZXMXHVMGTWKIOG-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155974;MM155974;C=COC(C)CON=C;KQQZRWQPOOXHRS-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155975;MM155975;C=CCNC(C)CC=C;WRKSJRCUHDOHQA-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155976;MM155976;C=CCC(C)NCC=O;ARHOPHJUPTUBHT-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155977;MM155977;C=CCC(C)NCC#N;MPWRRYNJTUAQGV-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155978;MM155978;C=CCNC(C)CC=O;NHNDOFUWDBEKBI-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155979;MM155979;NNC(=O)CC1C(O)C1O;ZXYJOCKBSJKBEM-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155980;MM155980;C#CCc1c[nH]c(C=C)n1;SDZJUYGAFJHXIF-UHFFFAOYSA-N;132.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155981;MM155981;CC(CC#N)NCC#N;PUJIZNHWBCDIAO-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155982;MM155982;C=CC1C=CC(C#N)=C1N;RCHHDGWSTGBGNG-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155983;MM155983;C=CCOC(C)CC=C;IRMMNVKRVCSHKN-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155984;MM155984;C=CCC(C)OCC=O;DGDIVEVACPFCND-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155985;MM155985;C=CCC(C)OCC#N;KFHJHCOFHWXAPR-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155986;MM155986;C=CCOC(C)CC=O;WUVSUOOLQSTBAA-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155987;MM155987;CC(CC=O)OCC#N;XGOBJBVWYRYWCB-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155988;MM155988;C=CCC(C)ONC=N;WUIFIUQULXXGKL-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155989;MM155989;C=CCC(C)ONC=O;GZDNARJRZUTWAW-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155990;MM155990;CC(CC#N)ONC=N;WIHOHVYZUFUSHE-UHFFFAOYSA-N;127.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155991;MM155991;CC(CC=O)ONC=O;QHGWFTODMFQPTD-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155992;MM155992;C=CCOC(C)OC=O;VEQASOOIJHIXCT-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155993;MM155993;CN(CC#N)CCC#N;PKIARPBQDOOATG-UHFFFAOYSA-N;123.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155994;MM155994;C=CCCN(C)NC=N;HXOYSIQWZOODLU-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155995;MM155995;CN(CCC=O)N=CN;MTJQMUOBQLSUMM-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155996;MM155996;CN(CCC#N)NC=N;VRBJSADIBUYMDI-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155997;MM155997;CNN=C(C)C(=O)NN;XMMCPLFGHPUSCI-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155998;MM155998;CN(CCC=O)NC=O;FFQMVVIJUQYRDK-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM155999;MM155999;C#CCCC(C)CC=C;WMQRQPIYWSFDKY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156000;MM156000;C#CCCC(C)CC=O;AZXTVOZDRXVCCW-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156001;MM156001;C#CCCC(C)CC#N;DTUUCQKZTGWBDZ-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156002;MM156002;C#CCCC(N)CC=C;SYTRKTJZGMLWNC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156003;MM156003;NNC(=O)C1CC(F)C1;CDLRFZUGYSIYKL-UHFFFAOYSA-N;132.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156004;MM156004;C#CCCC(F)CC=C;IMSSATIMCOXZJK-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156005;MM156005;C#CCCC(F)CC=O;KNVKCVGHONWYMW-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156006;MM156006;C#CCCC(C)NC=N;WLZSIXXCALEOPS-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156007;MM156007;C#CC(C)(O)CC(=O)NN;OHQVZXFHZVNALH-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156008;MM156008;C#CCCC(C)OC=C;SWAZUEPPLIATBV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156009;MM156009;C#CCCC(C)OC=O;CUOHBXGXPLRSNW-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156010;MM156010;C#CCCC(C)ON=C;DLVBLFHWCSCZSZ-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156011;MM156011;C#CCNC(C)CC=C;TZBDTPQAIYILJB-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156012;MM156012;C#CCOC(C)CC=C;NMNMZPKODIQDEE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156013;MM156013;C#CCOC(C)OC=C;ODLPLAQDRLNPPV-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156014;MM156014;C#CCCN(C)CC=C;WLVBWCPPTNDIJJ-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156015;MM156015;C#CCCN(C)CC#N;QQZFAJNTRIAFCR-UHFFFAOYSA-N;122.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156016;MM156016;C#CCCN(C)NC=N;POXFXIDLUVIOPG-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156017;MM156017;C#CCCN(C)NC=O;PIMJRYYLSQCIAU-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156018;MM156018;C#CCC(C)CCCC;OUMZCKOHIBIKNV-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156019;MM156019;C#CCC(C)CCCN;CCYVCCAYLGIXMR-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156020;MM156020;C#CCC(C)CCCO;MDTQFFPGYAUCGE-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156021;MM156021;C#CCC(C)CCCF;BBURLQQWINKCSY-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156022;MM156022;C#CCC(N)CCCC;WCKXXGKRKPVJKO-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156023;MM156023;CC(O)(CF)CNNC=O;CJPYDIFOGWEHGX-UHFFFAOYSA-N;150.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156024;MM156024;C#CCC(F)CCCC;FYPPKOQPVZAWFU-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156025;MM156025;C#CCC(F)CCCN;JYVYANPQXLKKPW-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156026;MM156026;C#CCC(F)CCCO;GXGDDASPMUOSPF-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156027;MM156027;C#CCC(F)CCCF;GXPKQYJZNCCPCC-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156028;MM156028;C#CCC(C)CCNC;KYERRDYEPDXPMD-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156029;MM156029;C#CCC(F)CCNC;TZIQRWJSQJSYJL-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156030;MM156030;C#CCC(C)CCOC;BOHJSMPJCZSRAH-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156031;MM156031;C#CCC(O)CCOC;KYFQFPWGNIYRSN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156032;MM156032;C#CCC(F)CCOC;CAGWGNLVLBETJF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156033;MM156033;C#CCC(C)CNCC;OUPPBBHJRQMEKO-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156034;MM156034;C#CCC(O)CNCC;GMSGICUZLVHMRG-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156035;MM156035;C#CCC(F)CNCC;RTJWOCSHMRQOGG-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156036;MM156036;C#CCC(C)COCC;WJIDEZDRPJARQX-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156037;MM156037;C#CCC(N)COCC;ITNPPQLGBGNJPM-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156038;MM156038;C#CCC(O)COCC;JOZYULZGZDEYET-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156039;MM156039;C#CCC(C)NCCC;RCTWSYWCOOLNNK-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156040;MM156040;C#CCC(C)NCCO;NHJUUTVZIGGNHU-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156041;MM156041;C#CCC(C)NCCF;IWAYILSUHYZLOU-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156042;MM156042;C#CCC(C)OCCC;IVOFILZJPMXWGY-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156043;MM156043;C#CCC(C)OCCO;JBXDMHBBQFQJPI-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156044;MM156044;C#CCC(C)OCCF;MOQZSUHUXOFPAT-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156045;MM156045;C#CCC(C)OCOC;ZHNQUKVVGCWKAF-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156046;MM156046;C#CCN(C)CCCC;NJBSAFGMLJQVNT-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156047;MM156047;C#CCN(C)CCCN;WIOKPPYJFWZENS-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156048;MM156048;C#CCN(C)CCNC;XDHMQXHUZSBVLQ-UHFFFAOYSA-N;126.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156049;MM156049;C#CCC(C)CCC=C;CPDZIGVMKCCAKK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156050;MM156050;C#CCC(C)CCC=O;GKHJXRLAQZIQMC-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156051;MM156051;C#CCC(C)CCC#N;WDAOMHQPKCEAGB-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156052;MM156052;CC(F)(CO)CNNC=O;SKPVOFFTZUYBCF-UHFFFAOYSA-N;150.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156053;MM156053;C#CCC(O)CCC=O;RWAHMHRHVBCYTH-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156054;MM156054;C#CCC(F)CCC=C;FFFXBRKGPDUJGY-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156055;MM156055;C#CCC(F)CCC=O;DJYQXJSKYQXFJW-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156056;MM156056;C#CCC(F)CCC#N;IMHSXQCAKKTSNB-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156057;MM156057;C#CCC(C)CNC=N;AEAMFBQRFQZQSE-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156058;MM156058;C#CCC(N)CNC=O;GSHXKWXPXHDSNO-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156059;MM156059;C#CCC(O)CNC=N;RJFHTBKMMUIVEN-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156060;MM156060;C#CCC(O)CNC=O;SIFBMFCWWIYGAG-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156061;MM156061;C#CCC(C)CNN=C;DGPBIJBMOYJFRY-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156062;MM156062;C=C(F)CCNC(=O)NN;KTYMPKVELWQJHT-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156063;MM156063;C#CCC(C)COC=C;WMFQRNFDPYXUOE-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156064;MM156064;C#CCC(C)COC=O;FNRAHWYYWLQRNR-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156065;MM156065;C#CCC(O)COC=C;YRLPQHOEAYZUAT-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156066;MM156066;C#CCC(F)COC=C;VDKKTOFXAAZVNK-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156067;MM156067;C#CCC(C)NNC=N;JHDNMVSGPXFUEA-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156068;MM156068;C#CCC(C)OCC#N;XJGHOGYERPKNGU-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156069;MM156069;C#CCC(C)ONC=N;AWYVPPHZIWVSMN-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156070;MM156070;C#CCN(C)CCC=C;JJZCOFGVOJNKRR-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156071;MM156071;C#CCCC(C)CC#C;MVHPSQDXDDIMGZ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156072;MM156072;C#CCCC(N)CC#C;DJKCSBIYVIPIGV-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156073;MM156073;C#CCCC(F)CC#C;OAENLPZMUDXJLN-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156074;MM156074;C#CCNC(C)CC#C;LZONRRXJWLSCCQ-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156075;MM156075;C=C(CCC)CCCC;BWGGEKJMCRHXKX-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156076;MM156076;C=C(CCC)CCCN;ZQGPXIWFKUJXID-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156077;MM156077;CC(C)N(C=NO)C(C)C;XMIHPYPSURSQCP-UHFFFAOYSA-N;144.22;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156078;MM156078;C=C(CCC)CCCF;KSRPWDBCBGQNPG-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156079;MM156079;C=C(CCN)CCCC;FWZBOYGNDADXMT-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156080;MM156080;C#CC(=C)COC(=O)NN;MSSNCLLOIDIQNP-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156081;MM156081;C=C(CCO)CCCN;CUSGOXNBXCEJOK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156082;MM156082;C#CCNC(=O)C(N)=NN;OZGLYWWXGMHGAB-UHFFFAOYSA-N;140.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156083;MM156083;C=C(CCF)CCCF;KVGLSTZCVFYBFG-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156084;MM156084;CCCCC(=O)CCC;YWXLSHOWXZUMSR-UHFFFAOYSA-N;128.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156085;MM156085;CCCCC(=O)CCO;QMXBCUFJHVABLO-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156086;MM156086;O=C(CCO)CCCO;CIKHUWABRQCSHV-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156087;MM156087;O=C(CCF)CCCF;POGDZKFREZJJGS-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156088;MM156088;C=C(CCC)CCNC;YFOUJOGGKUTWAG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156089;MM156089;C=C(CCN)CCNC;VGKUSCHDSKYTRU-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156090;MM156090;C=C(CCF)CCNC;HILUJMFSPWFFDB-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156091;MM156091;CNCCC(=O)CCO;RALBANDUGUKDRJ-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156092;MM156092;C=C(CCC)CCOC;UUDXMTXMQXHZTH-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156093;MM156093;C=C(CCCC)CNC;QNQQVMVYUGXZSI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156094;MM156094;CCCCC(=O)CNC;VKEWZCFZRLPLLY-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156095;MM156095;CNCC(=O)CCCO;DJHDNDVLQKIQTD-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156096;MM156096;CNCCC(=O)CNC;LSEKIQARJHDADP-UHFFFAOYSA-N;130.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156097;MM156097;C=C(CCCN)COC;ZVHUJVPFJGWDSR-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156098;MM156098;C=C(CCCF)COC;WFMSBBKNSMCKRD-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156099;MM156099;CCCCC(=O)COC;HPVRZSQOEHEUKJ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156100;MM156100;COCC(=O)CCCF;ZTYPDUKIYQVIQY-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156101;MM156101;C=C(CCC)CNCC;GYCCQZPBBMJWQU-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156102;MM156102;C=C(CCF)CNCC;XBIKFHRTDIXRFP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156103;MM156103;CCNCC(=O)CCF;LFAFBAJRERJMPP-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156104;MM156104;C=C(CCC)COCC;XEOKTKNJOUXQQD-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156105;MM156105;C=C(CCN)COCC;GYAMAOBVKFPRIE-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156106;MM156106;C=C(CCO)COCC;YOYRZASRZWHNEL-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156107;MM156107;CCCC(=O)COCC;OLMJXRGQEIXPSE-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156108;MM156108;C=C(CNC)COCC;ORVYPIICTJLFCX-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156109;MM156109;CCCCC(=N)NCC;ZNWKSVZQFVITTL-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156110;MM156110;CCNC(=N)CCCO;VHDDXXSHGWOLQV-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156111;MM156111;CCNC(=N)CCCF;KUUWHZIRXLUCIH-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156112;MM156112;CN=C(N)C(=NO)C(N)=O;NXTAYGGRQNEZFY-UHFFFAOYSA-N;144.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156113;MM156113;CCNC(=O)CCCN;CXVZDUOGZOFXRK-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156114;MM156114;CCNC(=O)CCCO;JJJHOJCREJGZFF-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156115;MM156115;CCNC(=O)CCCF;NQVQWDAMHWSKKT-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156116;MM156116;CCNC(=N)CCNC;KEVKOQGXGAUCMF-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156117;MM156117;CCNC(=O)CCNC;PKOPUKYDRVDFAY-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156118;MM156118;CNNC(=N)CCCF;INGCGDKKSGCCRO-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156119;MM156119;CNNC(=O)CCCN;QSGPIKLLYREZBC-UHFFFAOYSA-N;131.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156120;MM156120;CONC(=N)CCCF;LEJOMOGIOHGWIR-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156121;MM156121;CCCCC(=O)NOC;CVLHXQZTAUYHHP-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156122;MM156122;CONC(=O)CCCF;MKBXGFUGLLNZLH-UHFFFAOYSA-N;135.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156123;MM156123;CCNCC(=N)NCC;BNJHHODAJARDCA-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156124;MM156124;CCNCC(=N)NNC;NFYAWIUHEYKUPB-UHFFFAOYSA-N;130.2;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156125;MM156125;CCNCC(=O)NNC;FMDHQRPJNKVVNZ-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156126;MM156126;CCOCC(=N)NNC;UNIVLHMVJDSYIV-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156127;MM156127;CCOCC(=N)NOC;KUTPMOFWRIJZBJ-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156128;MM156128;O=Cn1cnn(O)c1=O;RJQNKFFTRRCSDM-UHFFFAOYSA-N;129.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156129;MM156129;C=C(CCCC)OCC;FWIPMQKCXHTVBB-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156130;MM156130;C=C(CCCN)OCC;LAXIPLZYKIUSFF-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156131;MM156131;CCOC(=O)CCNC;XVIJMHJTEHBUJI-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156132;MM156132;C=C(CNCC)OCC;LWNYDYKKULOKAJ-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156133;MM156133;C=C(COCC)OCC;IVFHSAZSZDEXEU-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156134;MM156134;CCOCC(=O)OCC;CKSRFHWWBKRUKA-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156135;MM156135;CCCNC(=N)CCC;HFMWRWXGVYNOJM-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156136;MM156136;CCCNC(=N)CCN;SFBATSSMYNURJV-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156137;MM156137;N=C(CCN)NCCN;ITFBUYGQGLWLAD-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156138;MM156138;N=C(CCO)NCCO;ZDWBYHVCYNARFO-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156139;MM156139;CCCNC(=N)CCF;OJPLMCCZPHDDHC-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156140;MM156140;N=C(CCF)NCCN;UARZWOSYGTXQHN-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156141;MM156141;CCCN1CC(=NN)C=N1;VEQQZRZIIIDNNK-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156142;MM156142;CCCC(=O)NCCN;VZLRFGZJDXHNLC-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156143;MM156143;CCCC(=O)NCCO;ZWHVMTQUUANYQJ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156144;MM156144;CCCC(=O)NCCF;NRBPYOZIELTQQH-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156145;MM156145;NCCC(=O)NCCO;AZXMBZCKYJOHBB-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156146;MM156146;CCCNC(=O)CCO;YQMKQEARCIWTSJ-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156147;MM156147;NCCNC(=O)CCO;YWUUPPZCBLZAGM-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156148;MM156148;O=C(CCO)NCCO;BDUROWSFHVNSDJ-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156149;MM156149;CCCNC(=O)CCF;NFROPWSPIGBBAJ-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156150;MM156150;CCCNC(=N)CNC;ZDZSOYHFRYQOSJ-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156151;MM156151;CCCNC(=O)CNC;MBENNMIHCNYUJD-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156152;MM156152;COCC(=N)NCCN;XKAUKBULPOIUFX-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156153;MM156153;COCC(=N)NCCO;KVTDFVCMBVXKBY-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156154;MM156154;COCC(=O)NCCN;FSQWGDLVDNEQFJ-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156155;MM156155;COCC(=O)NCCO;LRXARNDIKHFHBR-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156156;MM156156;CCNNC(=N)CCF;ORVCNPKGHQTUQI-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156157;MM156157;C=CCN1CC(=NN)C=N1;UCZNYVKMIMOXQZ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156158;MM156158;CCNNC(=N)CNC;MQDWAAZHYLQCRU-UHFFFAOYSA-N;130.2;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156159;MM156159;CCNNC(=O)CNC;BFMBOQDJYJBJKH-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156160;MM156160;CCNNC(=N)COC;MSLWKWBYEBKWDC-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156161;MM156161;CCONC(=N)CCO;DFWVTDPLMDEZDB-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156162;MM156162;CCCC(=O)NOCC;XTHWDONXXZOZNK-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156163;MM156163;CCONC(=O)CCO;LHNCTNXMVQPHQI-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156164;MM156164;CCCNC(=N)NCC;MNSGBGVWUNQIKL-UHFFFAOYSA-N;129.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156165;MM156165;CCNC(=N)NCCN;KHXGTXSKYSCWKE-UHFFFAOYSA-N;130.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156166;MM156166;CCNC(=O)NCCN;IAKKMMLYCAMLQR-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156167;MM156167;CNNC(=N)NCCN;UKQZENOJPDPDNW-UHFFFAOYSA-N;131.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156168;MM156168;CNNC(=N)NCCO;NDZAUTQQVMKJIN-UHFFFAOYSA-N;132.17;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156169;MM156169;CNNC(=O)NCCN;NJTKXCJWPRNJLV-UHFFFAOYSA-N;132.17;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156170;MM156170;CNc1cn(O)cn1;IYGDXJLUGUZTIJ-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156171;MM156171;CONC(=N)NCCN;CQQLMNWMGZDYDR-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156172;MM156172;CONC(=N)NCCO;LHCKTHLCPAADEU-UHFFFAOYSA-N;133.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156173;MM156173;CONC(=N)NCCF;BPVAYEOGGMKCFB-UHFFFAOYSA-N;135.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156174;MM156174;CCCNC(=O)NOC;LVDLVOLLVSCABQ-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156175;MM156175;CONC(=O)NCCN;JZWPFNKZDBLMBN-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156176;MM156176;CONC(=O)NCCO;CSIYBTFTYYUVNP-UHFFFAOYSA-N;134.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156177;MM156177;CCNNC(=N)NCC;GURXTXSCLGMVRI-UHFFFAOYSA-N;130.2;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156178;MM156178;CNNC(=O)C1CN1;MKPCHXFHYJATBC-UHFFFAOYSA-N;115.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156179;MM156179;CCNNC(=N)NNC;YXSSUEJJBZZVQB-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156180;MM156180;CC(C)CN(C)C=NO;BQTMOMRTUQVKRT-UHFFFAOYSA-N;130.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156181;MM156181;CCNC(=O)NOCC;WCFNNLVHHHHTHK-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156182;MM156182;CC(F)=CCNNC=O;VZDGRSAWBVJYKU-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156183;MM156183;CCONC(=O)NOC;GLOOUXJGPBXIIO-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156184;MM156184;CCCNC(=N)OCC;MVPXJCGQAZQOSN-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156185;MM156185;CCOC(=N)NCCF;UFPYONGQXWSWLO-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156186;MM156186;CCCNC(=O)OCC;GTOKAWYXANYGFG-UHFFFAOYSA-N;131.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156187;MM156187;CCOC(=O)NCCN;ADYWUAMYLMRHRL-UHFFFAOYSA-N;132.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156188;MM156188;CCOC(=O)NCCO;IDWDPUULTDNNBY-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156189;MM156189;C=C(CCC)OCCC;NHKOKQKKPISBFO-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156190;MM156190;C=C(CCC)OCCN;LAKXHSGPCOXBFC-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156191;MM156191;C=C(CCC)OCCO;FTSQYPUILNOODE-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156192;MM156192;C=C(CCC)OCCF;HURPXZDOQHPAAL-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156193;MM156193;C=C(CCN)OCCC;AQWGCRCUGOZION-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156194;MM156194;C=C(CCN)OCCN;BRPCMSFYNWDYNI-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156195;MM156195;C=C(CCF)OCCF;HMNUJTBTVUGWPJ-UHFFFAOYSA-N;136.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156196;MM156196;CCCC(=O)OCCN;YSWFMQGCLBXBHU-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156197;MM156197;NCCC(=O)OCCF;CIBWUQSQINFDOQ-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156198;MM156198;NCCOC(=O)CCO;TVNHKZYQEJENPP-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156199;MM156199;O=C(CCO)OCCO;ZCJSBBPIEPMQDW-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156200;MM156200;C=C(CCC)OCOC;NUWRCWDPSFWYFG-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156201;MM156201;C=C(CCN)OCOC;CNUAGFMMNGIXNM-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156202;MM156202;C=C(CNC)OCCC;JHIUTZPCRCLXJY-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156203;MM156203;C=C(CNC)OCCO;WQGSASAVNHIUFC-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156204;MM156204;C=C(COC)OCCN;UBXRLPOYGBMBRZ-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156205;MM156205;COCC(=O)OCCO;SWMCVUROTJLNQY-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156206;MM156206;COCC(=O)OCCF;LORLOJSWKOQHDC-UHFFFAOYSA-N;136.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156207;MM156207;CCCOC(=N)NCC;PTJLLJXKRGREJK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156208;MM156208;CCCOC(=O)NCC;IGEOIVMJQKXKJZ-UHFFFAOYSA-N;131.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156209;MM156209;CCNC(=O)OCCO;KZFWLHVUUVFGFR-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156210;MM156210;CNNC(=N)OCCN;RBNDGKIJNPLHOQ-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156211;MM156211;C=NN=CCC(=O)NN;XZCKDIFQBODCQY-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156212;MM156212;CONC(=N)OCCN;PGZOLKOLXRQZDG-UHFFFAOYSA-N;133.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156213;MM156213;CONC(=O)OCCO;JEXWFIRKUIRBOZ-UHFFFAOYSA-N;135.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156214;MM156214;CCCOC(=O)OCC;CYEDOLFRAIXARV-UHFFFAOYSA-N;132.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156215;MM156215;CCOC(=O)OCCN;ZDXWGHGCXKBHFM-UHFFFAOYSA-N;133.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156216;MM156216;C=CCCC(=C)CCC;JGBNITJGYPNING-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156217;MM156217;C=C(CCC)CCC=O;UZWPBMBXRGRZCQ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156218;MM156218;CNc1ncn(O)c1N;BMIIZXGITXVQLJ-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156219;MM156219;C=C(CCF)CCC=O;NTAGRFNCPOYZEV-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156220;MM156220;CCCC(=O)CCC#N;QQKDGOHRFRUUDP-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156221;MM156221;O=CCCC(=O)CCO;KPXOYIOPTASELF-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156222;MM156222;C=CCCC(=O)CCF;ZLMYYOUONVYITP-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156223;MM156223;C=CCCC(=C)CNC;FSSNMJHGVMSONX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156224;MM156224;C=C(CCC#N)CNC;VWEHWSFGSMLPNZ-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156225;MM156225;CNCC(=O)CCC#N;RGNYWVMXTUIHEL-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156226;MM156226;C=C(CCC=O)COC;NFARUSQKJUFHQQ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156227;MM156227;C=C(CCC)CNC=N;DHNUTEUWCKXGDH-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156228;MM156228;CCN(O)C(=NO)NC;CGMLUXUAGJRCKD-UHFFFAOYSA-N;133.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156229;MM156229;C=C(CCN)CNC=N;GPCJMQSMGAJUMA-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156230;MM156230;C=C(CCN)CNC=O;DIQWANQKRRMJIR-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156231;MM156231;C=C(CCO)CNC=N;IYQVRKGPCUMIHW-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156232;MM156232;C=C(CCO)CNC=O;XGTLJXCXENRCHZ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156233;MM156233;C#Cc1nc(C=C)c[nH]1;NKRXOIVIZIKTRK-UHFFFAOYSA-N;118.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156234;MM156234;CCCC(=O)CNC=O;ZVEHCRKLOVGYOE-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156235;MM156235;O=CNCC(=O)CCO;UTUZCBSCZDNASO-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156236;MM156236;C=NNCC(=C)CCC;LMAXOVXFBHZFMN-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156237;MM156237;C=NNCC(=C)CCN;ZQNWKUFOCIXQSQ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156238;MM156238;C=CCCCNC=NO;UVLKILGNVISRHX-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156239;MM156239;C=NNCC(=C)CCF;JXYXLAOPXGTJLF-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156240;MM156240;CN(CC(=O)NN)C(N)=O;OTLJHYXGLXMRQJ-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156241;MM156241;CNC(=O)CNNC(C)=O;MHMMEOSJQIMPKZ-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156242;MM156242;C=C(CNC)CNC=N;XYAHSPUUMKZJNK-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156243;MM156243;C=NNCC(=C)CNC;YDTBWLBWGCSYAR-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156244;MM156244;C=COCC(=C)CCC;OVSFYKTXFLYPQC-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156245;MM156245;C=C(CCC)COC=O;YYJVULQANHOESX-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156246;MM156246;C=COCC(=C)CCN;VIVBNHQNMUBSCF-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156247;MM156247;C=COCC(=C)CCF;FFJWFSNHWSQBRQ-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156248;MM156248;C=C(CCF)COC=O;WPJUPQDMAASOLH-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156249;MM156249;C=COCC(=O)CCC;PFSHBRVXLLRWCZ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156250;MM156250;O=COCC(=O)CCO;KXMVOSLBMCACQX-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156251;MM156251;CC(N)=CC(=NO)N(C)C;SITXKJHDWQXVSU-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156252;MM156252;C=NOCC(=C)CCF;CEIJBLCWDXJHJR-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156253;MM156253;CNNC(=O)NCCC=O;NGMZALATSWEVHJ-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156254;MM156254;C=CC=C(F)C(O)C=NN;SYKHSJAUKKMEQQ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156255;MM156255;C=C(COC)COC=O;OBTBESRIGILEEQ-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156256;MM156256;C=COCC(=O)COC;KYYUNJQARYCIHZ-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156257;MM156257;COCC(O)C(=O)C(=N)N;SEUKTBNRMMGILL-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156258;MM156258;C=CCCC(=N)NCC;IJOYKQIPMMVIAX-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156259;MM156259;CNN=C(N)CCC=O;XKBIIKDHYCUUHQ-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156260;MM156260;CNNC(=N)CCC#N;RJQVTRPCIXABLU-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156261;MM156261;CONC(=N)CCC#N;YQEHDJMSSDMUEJ-UHFFFAOYSA-N;127.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156262;MM156262;CCNC(=N)CNC=N;IVYGANWGELFDOM-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156263;MM156263;CCNC(=O)CN=CN;OSVYHYLPNFFPJY-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156264;MM156264;C=NNCC(=N)NCC;ALVGVPWBYSZHRQ-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156265;MM156265;CNNC(=N)CNC=O;WDSGVIUOQKQIRZ-UHFFFAOYSA-N;130.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156266;MM156266;CC(F)C(O)C(F)C=NN;PSMAVTBQKYHTCK-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156267;MM156267;CNC(=O)NCC(=O)NN;XBBPFGVMEXQKIG-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P5";;;;;;;-3.09;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156268;MM156268;CC1(CO)NC1C(=O)NN;BOGURSUNGVDTHP-UHFFFAOYSA-N;145.16;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156269;MM156269;C#Cc1nn(C)c(=O)n1O;FVLNYXIHOBRRNH-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156270;MM156270;Cc1cn(O)c(=O)nc1O;BJBKGFYROXFNKL-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156271;MM156271;N#Cc1con(O)c1=O;QNSDESMAQUCKGJ-UHFFFAOYSA-N;126.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156272;MM156272;C=C(CCC=O)OCC;PENAQVADIRBLSX-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156273;MM156273;C=C(CCC#N)OCC;QECDBCKGICVHND-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156274;MM156274;CCOC(=O)CCC=O;QFMPHCGACBODIJ-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156275;MM156275;CCOC(=O)CN=CN;UHMFRHDKZNITKH-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156276;MM156276;C=NNCC(=C)OCC;RGCKYJADZIVCMZ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156277;MM156277;C=COCC(=O)OCC;XRHZVJBBBITKAK-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156278;MM156278;C=NOCC(=C)OCC;XLAFQGWRODUPMT-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156279;MM156279;C=CCNC(=N)CCC;XHQXCKWPYMCTDP-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156280;MM156280;CCCC(=N)NCC=O;VUPSDGJOZCPMFQ-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156281;MM156281;C=CCNC(=N)CCN;CTBBRFXOQWYGJJ-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156282;MM156282;NC(CCO)=NCC=O;HLHANHJYGXSNGZ-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156283;MM156283;N#CCNC(=N)CCO;XKNHYINOYYFGQT-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156284;MM156284;N=C(CCF)NCC=O;RYDFKQZDPPMXQQ-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156285;MM156285;N#CCNC(=N)CCF;MRWCTIRGOKISOJ-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156286;MM156286;C=CCNC(=O)CCN;KTUZMPFSODIIPV-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156287;MM156287;N#CCNC(=O)CCO;PTFGESDWWXDDNF-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156288;MM156288;C=CCNC(=N)CNC;ITMAWNHSOUNKII-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156289;MM156289;CNCC(=N)NCC#N;SXAOSGIXIDSFBW-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156290;MM156290;C=CCNC(=O)CNC;JDPRYDGHIPLZMU-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156291;MM156291;CNCC(=O)NCC#N;GUXRICOPBIXIPQ-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156292;MM156292;CCCC(=N)NNC=N;RCRRHGFXWDTECP-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156293;MM156293;CCCC(=N)NNC=O;LCRRWWWQAAUNPL-UHFFFAOYSA-N;129.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156294;MM156294;N=C(CCN)NNC=O;FAYDELDBUHDBMF-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156295;MM156295;N=C(CCF)NNC=O;GSWOVLNFRMAWAP-UHFFFAOYSA-N;133.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156296;MM156296;CCCC(=O)NNC=O;UXUYWLVMRWEGBQ-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156297;MM156297;NCCC(=O)NNC=O;MJOBBVQZCOUYLV-UHFFFAOYSA-N;131.14;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156298;MM156298;N=CNNC(=O)CCF;XTUSSQGNZOHHRL-UHFFFAOYSA-N;133.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156299;MM156299;COCC(=N)NNC=N;GNMPBHURMCACNZ-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156300;MM156300;CNCC(=O)NOC=O;MMFGKZHROSBCIH-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156301;MM156301;CCNC(=N)NCC=O;CPYOYYRJGHMJOE-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156302;MM156302;CCNC(=O)NCC#N;CNTYFMCXKGKTNW-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156303;MM156303;CNNC(=N)NCC=O;OHMXELBOGXXCMY-UHFFFAOYSA-N;130.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156304;MM156304;CONC(=O)NCC#N;NITVGJKCIDWVTN-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156305;MM156305;CCNC(=N)NNC=N;LMKHMVNJHXCCLI-UHFFFAOYSA-N;129.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156306;MM156306;CCNC(=O)NNC=N;DPOYYZYRMOPPSV-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156307;MM156307;CCNC(=O)NNC=O;UUUQXBVGEMBKQY-UHFFFAOYSA-N;131.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156308;MM156308;CNNC(=N)NNC=N;MFYFQJQZWZXNNF-UHFFFAOYSA-N;130.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156309;MM156309;CNNC(=N)NNC=O;APPZKWVAVYTKIT-UHFFFAOYSA-N;131.14;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156310;MM156310;CNNC(=O)NNC=N;KWJUTAJHSWECFK-UHFFFAOYSA-N;131.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156311;MM156311;CNNC(=O)NNC=O;TWPPWDZJYICHHI-UHFFFAOYSA-N;132.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156312;MM156312;CONC(=N)NNC=N;YGABDYJFCRNXSN-UHFFFAOYSA-N;131.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156313;MM156313;CONC(=O)NNC=O;JAFWMOTZSPQAPQ-UHFFFAOYSA-N;133.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156314;MM156314;CCNC(=O)NOC=O;URTYNGVFPOLTQD-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156315;MM156315;CNNC(=N)NOC=O;KPDGFWKGOLVGFW-UHFFFAOYSA-N;132.12;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156316;MM156316;NNC(=O)OC1(CO)CC1;NYIJQZJYJHSCHA-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156317;MM156317;CCOC(=O)NNC=O;PCDKRBFIRXHZER-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156318;MM156318;CCOC(=N)NOC=O;ROOLXNMMPPRBEY-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156319;MM156319;C=CCOC(=C)CCC;HPICKPQPAYDJMG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156320;MM156320;C=C(CCC)OCC=O;IMEJGTNEDSLZOK-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156321;MM156321;C=C(CCC)OCC#N;MPZYUKREWLJYLX-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156322;MM156322;C=CCOC(=C)CCN;LKDKURVQZCTKRY-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156323;MM156323;C=C(CCO)OCC=O;CBTTXOYWPOPPPX-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156324;MM156324;C=C(CCF)OCC=O;ZSTOHUKCGLYSJT-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156325;MM156325;C=C(CCF)OCC#N;MDIADBSLEHHTKL-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156326;MM156326;C=CCOC(=O)CCO;GKYAVKBSIBJRTE-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156327;MM156327;N#CCOC(=O)CCO;QJIGIBYGLJRWRG-UHFFFAOYSA-N;129.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156328;MM156328;N#CCOC(=O)CCF;LEYSZQUGXVAQTA-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156329;MM156329;CN=C(N)C(=O)C(O)CO;VATGPPRCVRTAMK-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156330;MM156330;NC=NOC(=O)CCN;MSXBWMZIMAVGNV-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156331;MM156331;CON=CCCC(O)C#N;ZRJUKLFUAUSWOC-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156332;MM156332;O=CNOC(=O)CCO;RFYAYSURLYNLIJ-UHFFFAOYSA-N;133.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156333;MM156333;C#CC1(NNC=O)CC1C;LAUUDGTXNXZTOF-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156334;MM156334;Cc1c(C)c(O)n(O)c1N;VWCSNZXMGCHGLT-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156335;MM156335;COCC(=O)ONC=O;YUPAQQZQSPFJPI-UHFFFAOYSA-N;133.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156336;MM156336;CCNC(=N)OCC=O;NDUJZTQZQUMACP-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156337;MM156337;CCNC(=N)ONC=N;ZHHFYHRODIFFIE-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156338;MM156338;CCNC(=O)ONC=O;FHCPNBWFROXRIT-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156339;MM156339;CONC(=N)ONC=O;BJCMSKMXVCMXRJ-UHFFFAOYSA-N;133.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156340;MM156340;C#CCCC(=C)CCC;CVZFLKHXKIIXGE-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156341;MM156341;C#CCCC(=C)CCN;YSDPWILTMMDIKP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156342;MM156342;COC(C=O)CNNC=O;WKSBXLRIELRRPJ-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156343;MM156343;C#CCCC(=O)CCC;IIFBQNVRTLXAKY-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156344;MM156344;C#CCCC(=C)CNC;YOWUGNWKYWRLND-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156345;MM156345;C#CCCC(=C)COC;AYHMBHQMUJDUAF-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156346;MM156346;C#CCCC(=O)COC;FYSSUWNKUAGGFZ-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156347;MM156347;C#CCCC(=N)NCC;MZHUCIRPBQPWNL-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156348;MM156348;C#CCCC(=O)NCC;YQOACKLGPFCGGO-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156349;MM156349;CN1C(CO)C1C(=O)NN;TWRONYNSMYKGDX-UHFFFAOYSA-N;145.16;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156350;MM156350;C#CCNC(=N)CCC;KYAGPFIRDCLKMU-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156351;MM156351;C#CCNC(=N)CCN;TZSHJHMIXCGUCE-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156352;MM156352;C#CCNC(=N)CCO;QNBOMZPVISBATP-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156353;MM156353;C#CCNC(=O)CCC;OJDRBTBKHPJBBW-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156354;MM156354;C#CCNC(=O)CCO;PUUJREFVSPDVBF-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156355;MM156355;C#CCNC(=O)CNC;SKMRCBASNVQEEN-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156356;MM156356;C#CCNC(=N)NCC;UYHPWPBJANJAQJ-UHFFFAOYSA-N;125.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156357;MM156357;C#CCNC(=N)NNC;LGJCJBWQDUPZDD-UHFFFAOYSA-N;126.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156358;MM156358;C=NN1CC1C(=O)CC#N;WQPUVFYEOZMPOE-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156359;MM156359;C#CCNC(=O)NOC;HXUXJHWGXRMWNN-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156360;MM156360;C#CCOC(=C)CCC;WPTYPDMWXMUIIA-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156361;MM156361;C#CCOC(=C)CCF;QVKSXXVBPDCKHH-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156362;MM156362;C#CCOC(=O)CCC;JADOFECNZGDUSZ-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156363;MM156363;C#CCOC(=O)CCF;GRCOZXHAYBKPJX-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156364;MM156364;C#CCOC(=O)COC;QVZWXGSGXGKVHX-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156365;MM156365;C#CCOC(=N)NCC;KMRLFTKOYARNSF-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156366;MM156366;COC(C)C(=O)NN;SGCSGQGGDRALGC-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156367;MM156367;C#CCOC(=O)OCC;ZYIGRAXBUGITJL-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156368;MM156368;C=CCC(=C)CCCC;ZPCNDGRBQCQTMF-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156369;MM156369;C=CCC(=C)CCCN;XQASCKCOOLNQOG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156370;MM156370;C=C(CO)NC(=O)NN;QCPIEMMEFYYGQN-UHFFFAOYSA-N;131.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156371;MM156371;C=CCC(=C)CCCF;TZYBRFYXIGMJQG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156372;MM156372;C=C(CC=O)CCCC;HVMMRMUADDRFPW-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156373;MM156373;C=C(CC#N)CCCC;YMJINBWINHBOMT-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156374;MM156374;C=C(CC=O)CCCF;CIZIIHOUHJHWRA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156375;MM156375;C=C(CC#N)CCCF;YHRLRYFXEMNJBE-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156376;MM156376;C=CCC(=O)CCCC;VMRLOKZWSLHCCZ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156377;MM156377;CCCCC(=O)CC#N;RIGUHSKPKSHQOK-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156378;MM156378;C=CCC(=C)CCNC;GGEWUCHDDOJRMV-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156379;MM156379;C=C(CC#N)CCNC;DGCUZVLPDZWWJJ-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156380;MM156380;C=CCC(=C)CCOC;OSZDHIGRELASSB-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156381;MM156381;C=C(CC=O)CCOC;COVIWCKRUUXQON-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156382;MM156382;COCCC(=O)CC#N;TVARHUSTHBTMJB-UHFFFAOYSA-N;127.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156383;MM156383;C=CCC(=C)CNCC;TZXWYCGOPVXBLO-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156384;MM156384;C=CCC(=C)COCC;WQGUZLZXSDFBHQ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156385;MM156385;C=C(CC=O)COCC;XZQDZWWFSRLCKN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156386;MM156386;C=C(CC#N)COCC;VNCYEIYNUOMZLS-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156387;MM156387;C=CCC(=O)COCC;FZMMBPOQEKZGFU-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156388;MM156388;C=C(CCCF)NC=N;NNYNVMWQPTZGAO-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156389;MM156389;C=C(CCCC)NC=O;BKEUPKZAEKVWJN-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156390;MM156390;C=C(CCCF)NC=O;BPXSRBVJDVSJLU-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156391;MM156391;N=CNC(=N)CCCO;LJKNECISGVBRNU-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156392;MM156392;N=C(CCCN)NC=O;DVQRPOABYCOJGX-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156393;MM156393;C=CNC(=O)CCCC;RXLDPCKXDHZZQC-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156394;MM156394;C=CNC(=O)CCCN;WCESOIQRPUBMKM-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156395;MM156395;N=CNC(=O)CCCN;HJAYODVORTYAHQ-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156396;MM156396;C=C(CCNC)NC=O;WVUUJXKZDKGTRM-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156397;MM156397;CNCCC(=N)NC=N;AYBWMKVNJSCXOQ-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156398;MM156398;CNCCC(=N)NC=O;BQXGXWBEUNBMGL-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156399;MM156399;C=CNC(=O)CCNC;MBUKGIZBMLBVME-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156400;MM156400;CNCCC(=O)NC=N;NWAXMTRIHYYSGZ-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156401;MM156401;CNCCC(=O)NC=O;RDSVPLMEIZXBHX-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156402;MM156402;C=CNC(=N)CCOC;PIPHKVFXRDPQRJ-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156403;MM156403;CNNC(=O)OCCO;CYCUEMZODOTGMR-UHFFFAOYSA-N;134.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156404;MM156404;C=C(CNCC)NC=N;RBEJLPZJHHIELL-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156405;MM156405;C=CNC(=N)CNCC;MOVCKFHDZBYHMP-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156406;MM156406;C=CNC(=O)CNCC;OBGKPLHXILBDAQ-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156407;MM156407;C=CNC(=N)COCC;XKJWVFDTXJDHSV-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156408;MM156408;CCOCC(=N)NC=O;JYBDBBUHHFTNQE-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156409;MM156409;C=NOCC(O)C(C)=O;YMMGLDISBYCTJT-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156410;MM156410;CCOCC(=O)NC=O;UEDCMBAHBJNFEH-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156411;MM156411;C=COC(=C)CCCC;LWXIJTPQVNZEDH-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156412;MM156412;C=C(CCCF)OC=O;SROXUHQTTAIDKF-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156413;MM156413;C=COC(=O)CCCC;BLZSRIYYOIZLJL-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156414;MM156414;C=COC(=O)CCOC;ZOQUSVISPGHUAV-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156415;MM156415;C=NOC(=O)CCCC;VTSZAFAXKPPTIJ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156416;MM156416;C=COC(=C)CNCC;XHMPXOLXYYUFPH-UHFFFAOYSA-N;127.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156417;MM156417;C=COC(=C)COCC;XQOMPDHVULMQQU-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156418;MM156418;C=COC(=O)COCC;MOZHXWPSAVJFNX-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156419;MM156419;C=CCC(=N)NCCC;XLHWZASGXMDNHV-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156420;MM156420;C=CCC(=N)NCCN;ABBPENABEXEXSP-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156421;MM156421;CCCN=C(N)CC=O;ZYCWEXSWDJDCTO-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156422;MM156422;N#CCC(=N)NCCO;SOOVLYXKQUUCEG-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156423;MM156423;C=CCC(=O)NCCN;UQOHOLLZCGKADB-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156424;MM156424;C=CCC(=O)NCCO;LWNMWPSBZVRORN-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156425;MM156425;N#CCC(=O)NCCO;JBFRGXRQXZOZTA-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156426;MM156426;CCNNC(=N)CC#N;SFOCDNXLPAOJEB-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156427;MM156427;CCNNC(=O)CC#N;ZNLGTWJWKJMALP-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156428;MM156428;C=CCC(=O)NOCC;JLDKBLVOLBASBO-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156429;MM156429;C=CNC(=N)NCCN;BLDLNQBSBQYHIM-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156430;MM156430;C=CNC(=N)NCCO;NUWKNWNDCANRGC-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156431;MM156431;N=CNC(=N)NCCN;JYPFZLKLDGBTQD-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156432;MM156432;N=CNC(=N)NCCO;BQJVPGIAXSQYLI-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156433;MM156433;N=C(NC=O)NCCO;OXIGYUDUXFEHAS-UHFFFAOYSA-N;131.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156434;MM156434;C=CNC(=O)NCCC;BTVSVAMOJPBIJR-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156435;MM156435;C=CNC(=O)NCCN;PUNMSGJFAWYZHG-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156436;MM156436;C=CNC(=O)NCCO;ZASXRGUAJISBIV-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156437;MM156437;N=CNC(=O)NCCN;JPRVPYWFAUPBQA-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156438;MM156438;COC(=O)NNCCO;QKPULEHJQKNUDX-UHFFFAOYSA-N;134.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156439;MM156439;C=CC(=O)NNCC=O;BPFKOWBVRBYSIF-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156440;MM156440;NCCNC(=O)NC=O;BDLJYUAXNDMEOQ-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156441;MM156441;O=CNC(=O)NCCO;ULZSUKPBCFWIGK-UHFFFAOYSA-N;132.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156442;MM156442;C=NNC(=N)NCCN;JYOHMUSOVQWVIU-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156443;MM156443;C=NNC(=N)NCCO;ZMVSFVKCRCKSAD-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156444;MM156444;C=NNC(=O)NCCN;UCPDEFAFJRIXAR-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156445;MM156445;C=NNC(=O)NCCO;XYWYHAALBKTMKK-UHFFFAOYSA-N;131.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156446;MM156446;C=CNC(=N)NNCC;KOEDPXOENSXGNH-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156447;MM156447;CCNNC(=N)NC=N;DLWTXRKRVQMANR-UHFFFAOYSA-N;129.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156448;MM156448;CCNNC(=N)NC=O;LWLXDCQGKOCJFC-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156449;MM156449;COC=CNC(=O)NN;APBPSHYCVYWRKP-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156450;MM156450;CC=C(F)C(O)C=NN;KUOFWQOUZRJGIO-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156451;MM156451;CCNC(=NO)N(C)O;DGQORMGHTUTEIG-UHFFFAOYSA-N;133.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156452;MM156452;C=CNC(=O)NOCC;NNVUHFBUFHXXKP-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156453;MM156453;CCONC(=O)NC=O;IJBCTNNEJMSOTJ-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156454;MM156454;CN(O)C(=NC=O)NO;IWODXARQQJKKCZ-UHFFFAOYSA-N;133.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156455;MM156455;C=NOC(=O)NCCN;FWSAVAMSBOGNIT-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156456;MM156456;Cc1cc(N=O)[nH]c1C;PMPAQJIYKMWJIB-UHFFFAOYSA-N;124.14;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156457;MM156457;CNc1nc(N)c(F)[nH]1;LTVSJRYBJLJPLZ-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156458;MM156458;C=NOC(=O)NNCC;IPGIVWGQOQAAPW-UHFFFAOYSA-N;131.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156459;MM156459;C=CCC(=C)OCCC;SORYJKHSXHPFDA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156460;MM156460;C=CCC(=C)OCCN;XGPZGDLOFCPWLS-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156461;MM156461;C=CCC(=C)OCCO;WDDXRNGOOXWRMU-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156462;MM156462;C=C(CC#N)OCCC;VRGPAQWDCWEMHA-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156463;MM156463;C=C(CC#N)OCCF;BOAAECBHSJLBLU-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156464;MM156464;C=CCC(=O)OCCC;JUKZMMDUYUDTMG-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156465;MM156465;C=CCC(=O)OCCO;RAAMXQJRERGMFL-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156466;MM156466;N#CCC(=O)OCCF;AQHVLRXIYNUJJW-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156467;MM156467;COCOC(=O)CC#N;DGMSVZXGWLFLLO-UHFFFAOYSA-N;129.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156468;MM156468;C=C(NC=N)OCCN;SMYHLOBMTYXATA-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156469;MM156469;C=C(NC=O)OCCC;HHTLHTPXSMCBGZ-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156470;MM156470;C=CNC(=N)OCCN;BWBFJXZKILSASZ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156471;MM156471;C=CNC(=N)OCCO;RKQYSCUWZHGXLT-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156472;MM156472;N=CNC(=N)OCCN;ZHUGTYCEDAVNBX-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156473;MM156473;N=C(NC=O)OCCN;POVOUXWPJGACGK-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156474;MM156474;N=C(NC=O)OCCO;VWCKHYNLMUKUSE-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156475;MM156475;C=CNC(=O)OCCN;QJIVUPAMTXKVKT-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156476;MM156476;N=CNC(=O)OCCN;LGFWTYDMGGJKDG-UHFFFAOYSA-N;131.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156477;MM156477;N=CNC(=O)OCCO;PAGFVPDJLDDZQA-UHFFFAOYSA-N;132.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156478;MM156478;O=CNC(=O)OCCO;DGSCXWVERFRLES-UHFFFAOYSA-N;133.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156479;MM156479;COCOC(=N)NC=O;LKZZANZHXJQZKT-UHFFFAOYSA-N;132.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156480;MM156480;C=CNC(=O)OCOC;FVMHLXOPOCGOFY-UHFFFAOYSA-N;131.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156481;MM156481;COCOC(=O)NC=O;DFMQKGIASITPBT-UHFFFAOYSA-N;133.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156482;MM156482;C=NNC(=N)OCCN;ZDWGIHHSXNXGBW-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156483;MM156483;C=NNC(=O)OCCN;NVCQEXGKEJLIJN-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156484;MM156484;C=COC(=O)OCCF;JCBADTLNWNTCNV-UHFFFAOYSA-N;134.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156485;MM156485;C=NOC(=O)OCOC;MZOICSFHBJJZTL-UHFFFAOYSA-N;133.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156486;MM156486;C=CCCC(=C)CC=C;QAXZSZVIQPBXIV-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156487;MM156487;C=CCC(=C)CCC=O;TUHMWQYRSJINQI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156488;MM156488;C=CCC(=C)CCC#N;XEHWNTFPUKKZJN-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156489;MM156489;C=CCCC(=C)CC=O;HLNWSLNDEWVSAC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156490;MM156490;C=CCCC(=C)CC#N;ROESNWGYXKVQTR-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156491;MM156491;C=C(CC=O)CCC=O;UUXRMEVJPZYDIF-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156492;MM156492;C=C(CC#N)CCC#N;QESBEFQSMIUTRV-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156493;MM156493;C=CCCC(=O)CC=C;RUFPMFACRFDZQB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156494;MM156494;C=CCC(=O)CCC=O;OHQOSILRKHBSQP-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156495;MM156495;C=CCC(=C)CNC=N;AERRQFXOYPLZAL-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156496;MM156496;CCN(C)C(=NO)NO;DWVCDEJFLSQETL-UHFFFAOYSA-N;133.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156497;MM156497;N#CCC(=O)CNC=N;KSZODLBQWDDGFE-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156498;MM156498;N#CCC(=O)CNC=O;HELFATOJWAHAMD-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156499;MM156499;C=CCC(=C)CNN=C;XWWWYMVEEVOZNY-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156500;MM156500;O=CNNC(CO)CO;IOSSJAHJRLAPAH-UHFFFAOYSA-N;134.14;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156501;MM156501;C=CCC(=C)COC=C;XOQDOOYQJGYNLF-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156502;MM156502;C=CCC(=C)COC=O;GJEXXNGUODMJMG-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156503;MM156503;C=COCC(=C)CC=O;RITKEHRECGGOJK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156504;MM156504;C=COCC(=C)CC#N;ZZOKOGINXYUKSX-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156505;MM156505;C=C(CC#N)COC=O;MBQRTFLNERCIMH-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156506;MM156506;C=CCC(=O)COC=C;FSLKHOLCDXJLSC-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156507;MM156507;C=CCC(=C)CON=C;TXDLHMHKNBARAF-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156508;MM156508;C=CCCC(=C)NC=N;JPHLJFVBIGTSRE-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156509;MM156509;C=CCCC(=C)NC=O;DFWLTHSRCOSAAB-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156510;MM156510;C=C(CCC#N)NC=O;RGFJROQCDQAEEG-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156511;MM156511;C=CCCC(=N)NC=C;CETSUSBVOKRHFP-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156512;MM156512;C=CNC(=N)CCC=O;XVGODOUCOQKXKX-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156513;MM156513;CCN1CC(=NN)C=N1;KEZXGLZEKWOGGJ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156514;MM156514;C=CNC(=O)CCC=O;RVYWCLMDOLHBLV-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156515;MM156515;NN(C=O)C(=O)C1CO1;UFSWRMPQSFTCDH-UHFFFAOYSA-N;130.1;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156516;MM156516;CC(=O)CCNNC(N)=O;FFWHGFGFBHKAHQ-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156517;MM156517;N#CCCC(=O)NC=O;QQQUAPRJAOTZQG-UHFFFAOYSA-N;126.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156518;MM156518;CNNC(=O)NCC(C)F;FSOMFGXSLASHMX-UHFFFAOYSA-N;149.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156519;MM156519;C=C(CNC=N)NC=N;CQIYSDHICKKSNE-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156520;MM156520;C=C(CNC=O)NC=N;OPVLPIQLSGAMLP-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156521;MM156521;C=C(CNC=N)NC=O;BUEGICBFVNVQGP-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156522;MM156522;C=C(CNC=O)NC=O;GNIDMYKFZGFBBB-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156523;MM156523;C=CNC(=N)CNC=O;KSVDGTCUGRONCE-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156524;MM156524;N=CNCC(=N)NC=N;VFNSRDARXIHDIU-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156525;MM156525;CN(N)C(=O)NC=C(F)F;JLRAPQJRQNGDRK-UHFFFAOYSA-N;151.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156526;MM156526;C=CNC(=O)CNC=N;FZYCOXBSQQLVPC-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156527;MM156527;C#CC(N)=CC(=O)NNC;MYLROYLHEICENK-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156528;MM156528;N=CNCC(=O)NC=O;PBSROSYVNUQXFO-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156529;MM156529;C=NNCC(=N)NC=N;HLKDAQYLCLXHDK-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156530;MM156530;CCOC(C)C(=O)NNC;OHIRANYBCIIIJQ-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156531;MM156531;C=COCC(=C)NC=N;SJOAIKGNRZIXNS-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156532;MM156532;C=COCC(=C)NC=O;JDXUPCRCZYUPIO-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156533;MM156533;C=COCC(=N)NC=N;LVDBOYVHROZUQR-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156534;MM156534;C=COCC(=N)NC=O;AANFNPRVQWGXKE-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156535;MM156535;N=C(COC=O)NC=O;QVKUBAWYLACWNN-UHFFFAOYSA-N;130.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156536;MM156536;CC=NOCC(O)C(C)=O;MJFCUGYHIFTSLI-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156537;MM156537;CC(C)C(C)N(C)C=NO;LCKCZZMISUSKDD-UHFFFAOYSA-N;144.22;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156538;MM156538;C=NOCC(=N)NC=N;VLQAVYORQYEANV-UHFFFAOYSA-N;128.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156539;MM156539;NNC(=O)NCC(O)CO;QOLLFYKJSCRUCM-UHFFFAOYSA-N;149.15;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156540;MM156540;C=CCCC(=C)OC=C;WTOGSWIRIZTNGF-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156541;MM156541;C=COC(=C)CCC#N;VMMZNGDVRFKPAA-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156542;MM156542;C=CCCC(=C)OC=O;WXVHMTRPDRNXHS-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156543;MM156543;C=CCCC(=O)OC=C;VZDJISIWAFQMME-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156544;MM156544;C=CCCC(=O)ON=C;NWRKQPMFICXJHE-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156545;MM156545;C=C(CNC=N)OC=O;KDVCEXUJCIDPFR-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156546;MM156546;C=C(CNC=O)OC=O;LLTAZLNJEUBLEP-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156547;MM156547;C=COC(=C)CNN=C;DYGWLGBVNSSCPN-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156548;MM156548;C=NOC(=O)CNC=N;KQIHCGCAROFADF-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156549;MM156549;C=COCC(=C)OC=C;QWYOSEWTYLOQOQ-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156550;MM156550;C=COC(=C)COC=O;PTVZORPJJCJJQW-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156551;MM156551;C=COCC(=O)OC=C;VLLUIDCAYFLQBD-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156552;MM156552;C=COC(=C)CON=C;PHTGDFKJYZZNMY-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156553;MM156553;C=NOCC(=O)ON=C;HEFDHUIDQJURRM-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156554;MM156554;C=CCNC(=N)CC=C;VUZCYJRXXQLCBF-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156555;MM156555;N=C(CC=O)NCC=O;DHCJHJOKQLNWLU-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156556;MM156556;C=CCC(=N)NNC=N;GXNLGJNDRMVSTC-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156557;MM156557;C=CCC(=N)NNC=O;GFJOEXHPFIQQDX-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156558;MM156558;N=C(CC=O)NNC=O;HDKPTZHTDXHHSC-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156559;MM156559;C=CCC(=O)NNC=N;PIGAXIYNQFMNEN-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156560;MM156560;N#CCC(=O)NNC=N;LPKBAACFXGRXQC-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156561;MM156561;N#CCC(=O)NNC=O;NDGYVKXPUMMDRL-UHFFFAOYSA-N;127.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156562;MM156562;C=CCC(=O)NOC=O;NMDGLIAYBROFBJ-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156563;MM156563;C=CNC(=N)NCC=O;ZXZJENPJQLKQIC-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156564;MM156564;N=CNC(=N)NCC=O;CRVMGXJTEFFYOA-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156565;MM156565;N=C(NC=O)NCC=O;XIWRFJGTRSFEJO-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156566;MM156566;C=CCNC(=O)NC=C;KZUXFJZEYQJYEX-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156567;MM156567;C=CNC(=O)NCC=O;AVJNCFOEFCAOTM-UHFFFAOYSA-N;128.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156568;MM156568;NNC(=O)NC(CO)CO;WORZVZPIJWAFDS-UHFFFAOYSA-N;149.15;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156569;MM156569;O=CCNC(=O)NC=O;BUHFECQNMPOMBS-UHFFFAOYSA-N;130.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156570;MM156570;C=CNC(=N)NNC=N;KCJBBAIJZYOAMP-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156571;MM156571;C=CNC(=N)NNC=O;MOTBRJUIVZVPCN-UHFFFAOYSA-N;128.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156572;MM156572;N=CNC(=N)NNC=O;JVAZZKWVEKYCOX-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156573;MM156573;N=CNNC(=N)NC=O;SZZWSKSLBOQSJR-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156574;MM156574;C=CNC(=O)NNC=O;GPIJLUBIHPUPNA-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156575;MM156575;N=CNNC(=O)NC=N;MVJMRXDXFDTTFO-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156576;MM156576;C=CC(CO)NNC(N)=O;VUMFATXZUOGELG-UHFFFAOYSA-N;145.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156577;MM156577;N=CNNC(=O)NC=O;GILXBMDNFMALOI-UHFFFAOYSA-N;130.11;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156578;MM156578;Cc1nc(=O)n(O)[nH]1;GDBUYWCYDZMHCT-UHFFFAOYSA-N;115.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156579;MM156579;C=NNC(=N)NNC=N;KZUZPSGPIAHNHO-UHFFFAOYSA-N;128.14;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156580;MM156580;C=NNC(=N)NNC=O;VPOSWRDLADDUOG-UHFFFAOYSA-N;129.12;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156581;MM156581;C=NNC(=O)NNC=N;OCOYNHFRGUHCBG-UHFFFAOYSA-N;129.12;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156582;MM156582;C=NNC(=O)NNC=O;AQOSOSXAFPIVMU-UHFFFAOYSA-N;130.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156583;MM156583;N=CNC(=N)NOC=O;UCLXPUUJAPQUID-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156584;MM156584;C=CNC(=O)NOC=O;ANBCFVGGMPIKBQ-UHFFFAOYSA-N;130.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156585;MM156585;NN=C(CO)NNC(N)=O;JFQOSUXMLMCQJV-UHFFFAOYSA-N;147.14;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156586;MM156586;N=CNNC(=N)OC=O;LZIVWFMCYPCEOW-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156587;MM156587;CCCOCOC(=O)NN;NVYYUPRZIJBCBA-UHFFFAOYSA-N;148.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156588;MM156588;C#CC(O)C(C=C)ON=C;JRRRBMHEBQWMLF-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156589;MM156589;C=NOC(=O)NNC=N;YMXHBTDWSUHZDA-UHFFFAOYSA-N;130.11;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156590;MM156590;C=CCOC(=C)CC=C;LKYVISHQKRCXSC-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156591;MM156591;C=CCC(=C)OCC=O;ABSIUFLWPJOOFU-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156592;MM156592;C=CCOC(=C)CC=O;ANDMOVHKMUVMFP-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156593;MM156593;C=C(CC#N)OCC#N;GQXXVJNBRYLGEH-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156594;MM156594;C=CCOC(=O)CC=C;AAKKKMOPCAFJCX-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156595;MM156595;C=CCC(=O)OCC=O;WWAZKBADILWZNV-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156596;MM156596;N#CCOC(=O)CC=O;UBGMGIIURBIKQT-UHFFFAOYSA-N;127.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156597;MM156597;C=C(NC=N)OCC#N;NJOUZEKMBJYJCF-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156598;MM156598;N=C(NC=O)OCC=O;DNBWWJIXZDFDBY-UHFFFAOYSA-N;130.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156599;MM156599;C=CCOC(=O)NC=N;WURRBGSQNXEHHC-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156600;MM156600;N=CNC(=O)OCC=O;YFIXRLBKJTXJFT-UHFFFAOYSA-N;130.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156601;MM156601;N#CCOC(=O)NC=N;WBWJWBBTRXZFQU-UHFFFAOYSA-N;127.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156602;MM156602;O=CCOC(=O)NC=O;INAQGXWIYMNNNE-UHFFFAOYSA-N;131.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156603;MM156603;N#CCOC(=O)NC=O;IDWBFJOWWWTGPQ-UHFFFAOYSA-N;128.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156604;MM156604;C#CCN(C=C)C(=O)NN;HHORCWGPTYVSTO-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156605;MM156605;N=CNC(=O)ONC=O;CQWVUOYTRAFTBA-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156606;MM156606;C=NNC(=N)ONC=O;LLDRTXIIFPPDIE-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156607;MM156607;C=CCOC(=O)OC=C;ZQHWNCCQPKAZAH-UHFFFAOYSA-N;128.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156608;MM156608;C=NOC(=O)ONC=O;ZXIVAABPWVYLIF-UHFFFAOYSA-N;132.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156609;MM156609;C#CCCC(=C)CC=C;BGVQEYBDZTVHOJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156610;MM156610;C#CCCC(=C)CC=O;IGHQPXGTSODUBR-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156611;MM156611;C#CCCC(=C)CC#N;ILBXFBXRXJJOHD-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156612;MM156612;C#CCCC(=O)CC=C;ZCPFPPIFCGQGCC-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156613;MM156613;C#CCCC(=C)NC=O;DYKMUVFQSOUDDW-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156614;MM156614;C#CCCC(=O)NC=C;ZJNZBMSQKHFVCU-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156615;MM156615;C#CCCC(=C)OC=C;GCMMIOXAIOCKOL-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156616;MM156616;C#CCCC(=C)OC=O;MOXPTKRCWLVUCL-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156617;MM156617;C#CCCC(=O)OC=C;GCMRLMOURMWPML-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156618;MM156618;C#CCCC(=O)ON=C;OAOPCUAJRPHFHA-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156619;MM156619;C#CCNC(=O)CC=C;DDNKTSVOBQRBFP-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156620;MM156620;C#CCNC(=O)CC#N;UWMHFSKISKQAEA-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156621;MM156621;C#CCNC(=N)NC=N;LALBFGFJXSOKLU-UHFFFAOYSA-N;124.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156622;MM156622;C#CCNC(=N)NC=O;GWTHFTSEUYIUFT-UHFFFAOYSA-N;125.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156623;MM156623;C#CCNC(=O)NC=O;BZPHFXUIMVEGTL-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156624;MM156624;C#CC(=CCC)C(=O)NN;RWAZFXDPHYDKSH-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156625;MM156625;C#CCOC(=C)CC=C;YZHANWKAYOZSGH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156626;MM156626;C#CCOC(=C)CC=O;HHLRNJPSYQFINF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156627;MM156627;C#CCOC(=O)CC=C;ODKHAXFLCHIIGR-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156628;MM156628;C#CCOC(=O)CC#N;RYCIJJSIVMERND-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156629;MM156629;C#CCOC(=N)NC=C;YJIOAQQYUYVOLK-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156630;MM156630;C#CCOC(=N)NC=O;UTFFILWWZIJFHN-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156631;MM156631;C#CCOC(=O)NC=C;YXOOUSKJDNSPKR-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156632;MM156632;C#CCOC(=O)NC=N;ZUXAANKFNSRYNA-UHFFFAOYSA-N;126.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156633;MM156633;C#CCC(=C)CCCC;SYMCJAYWUOMQMB-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156634;MM156634;C#CCC(=C)CCCN;GYTQQLDBMMVSNS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156635;MM156635;CCC(OC)C(=O)NNC;DVKDZEVBTZDYCW-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156636;MM156636;C#CCC(=C)CCCF;HABKIHFMMSTLDJ-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156637;MM156637;C#CCC(=O)CCCC;PJIGLORKCNQCSH-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156638;MM156638;C#CCC(=C)CCNC;AVCOMLNENSGUNU-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156639;MM156639;C#CCC(=C)CCOC;BHMBUZPPVIFDMD-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156640;MM156640;C#CCC(=O)CCOC;GFDAXHGIAOQFNN-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156641;MM156641;C#CCC(=C)CNCC;XAZHKLFAKKELLA-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156642;MM156642;C#CCC(=O)CNCC;OEHBWYIIAOLNEZ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156643;MM156643;C#CCC(=C)COCC;IQRMOCHWFORXDO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156644;MM156644;C#CCC(=N)NCCN;OUQKVFOHBXPUCI-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156645;MM156645;C#CCC(=N)NCCO;PXSHEQCDWKAMGE-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156646;MM156646;C#CCC(=O)NCCN;JWVLXSJFEJSFQY-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156647;MM156647;C#CCC(=O)NCCF;JVLSQMXOXVWYDC-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156648;MM156648;N=c1[nH]c(=O)nco1;HEYAMCCDTVKDCY-UHFFFAOYSA-N;113.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156649;MM156649;C#CCC(=C)OCCC;TXJPRXVSCKHQAD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156650;MM156650;C#CCC(=C)OCCN;MJZPKVBESVPYLS-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156651;MM156651;C#CCC(=C)OCCO;QYPZBHXKNIVWDC-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156652;MM156652;C#CCC(=O)OCCC;CBXJYQQMXMKEBP-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156653;MM156653;C#CCC(=O)OCCF;OXMJDWDBQZIXKL-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156654;MM156654;C#CCC(=C)OCOC;BSEUIWKKJGAXNY-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156655;MM156655;C#CCC(=O)OCOC;DUXTXPDBLDVQGK-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156656;MM156656;C#CCC(=C)CCC=C;OTDREANMHVBJMQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156657;MM156657;C#CCC(=C)CCC=O;SMBKVHMONBITGV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156658;MM156658;C#CCC(=C)CCC#N;XAZKJBGTHLJOAL-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156659;MM156659;C=CC1(C(=O)NNC)CN1;QKUWBIPHLCWWKN-UHFFFAOYSA-N;141.17;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156660;MM156660;C#CCC(=O)CNC=O;OGHMNFXUGAHULV-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156661;MM156661;C=CC(=NO)NC1CC1O;FOYYJUWTENYNAQ-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156662;MM156662;C#CCC(=C)COC=O;ZPYGOOKDHXSYEF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156663;MM156663;C#CCC(=O)COC=C;LMKWNOAHHGTDPA-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156664;MM156664;CCCc1cnc(CO)[nH]1;WTBDNVNXJHCGNJ-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156665;MM156665;C#CCC(=N)NCC=C;AMMDMBAHVHANRR-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156666;MM156666;C#CCC(=O)NCC=C;IXDNCRZELCKZRE-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156667;MM156667;C#CCC(=N)NNC=N;NGESMJRWSGDAAG-UHFFFAOYSA-N;124.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156668;MM156668;C#CCC(=O)NOC=O;FWKXWGMESZQFTN-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156669;MM156669;C#CCC(=C)OCC=C;GAYVCLSXIXHRQE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156670;MM156670;C#CCC(=C)OCC=O;RMVPNRUAKSJMMM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156671;MM156671;C#CCC(=C)OCC#N;XVCGLIBCMIIBJR-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156672;MM156672;C#CCC(=O)OCC=C;IQFITXCEOOUKQB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156673;MM156673;C#CCC(=O)ONC=O;DTXZQEBBLLSWAR-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156674;MM156674;C#CCCC(=C)CC#C;LLNHTSMBZHXPMV-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156675;MM156675;C#CCCC(=O)CC#C;CLBQXAWVPMGMBF-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156676;MM156676;C#CCNC(=N)CC#C;SSFZDOKVJPSNOI-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156677;MM156677;C#CCOC(=C)CC#C;ISAZFFXRTMOYFW-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156678;MM156678;CC=CCC(C)CCC;GHXSDJGWAWONHE-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156679;MM156679;CCCC(C)CC=CF;QRWAAHCGUPWUJM-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156680;MM156680;CC(CC=CF)CCF;BANSSXAABZGXAI-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156681;MM156681;CC=CCC(N)CCC;VSICKPGFNJWOOK-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156682;MM156682;CCCC(N)CC=CF;ZBZTWZATULDJTB-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156683;MM156683;CC=CCC(N)CCN;JYTOGXFRCJRXKH-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156684;MM156684;CC=CCC(N)CCO;JVCMZOVVDUGJAA-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156685;MM156685;CC=CCC(N)CCF;JXNXFWKCAILSNN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156686;MM156686;NC(CC=CF)CCF;XFVWXJJMOTUBBU-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156687;MM156687;C=C(F)C(O)C=NN;KWWDYSLCJUTLOY-UHFFFAOYSA-N;118.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156688;MM156688;CCCC(O)CC=CF;WCPDOWONNNKRMY-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156689;MM156689;CCCC(F)CC=CF;MSSMDQADVOKSPD-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156690;MM156690;CC=CCC(F)CCN;HWIUNRUYRQFALS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156691;MM156691;NCCC(F)CC=CF;IZWTUXWJOHNVRA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156692;MM156692;CC=CCC(F)CCO;ZBZJQXZQADBHLV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156693;MM156693;CC=CCC(F)CCF;ITSBRIANBLEKOS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156694;MM156694;FC=CCC(F)CCF;QLPRWMJWIQTGIO-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156695;MM156695;CCCC(C)CC=NN;BWPICDLFASACFH-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156696;MM156696;C#CC(C)NNC(C)=O;QHVXNSRHHFMALP-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156697;MM156697;C=COC(C)C(=O)NN;JKRGFTVAJBIJHT-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156698;MM156698;CC(CC=NN)CCF;FIBUGWZEZJDOOA-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156699;MM156699;NCCC(O)CC=NO;AGASEHUAZQFMKW-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156700;MM156700;CCCC(F)CC=NO;OICOANLLVSMMPJ-UHFFFAOYSA-N;133.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156701;MM156701;NN=CCC(F)CCF;ZVUHMPVUUDPTNI-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156702;MM156702;ON=CCC(F)CCF;UIFXROOVYOYGFS-UHFFFAOYSA-N;137.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156703;MM156703;CNCC(C)CC=CF;IZIKJJZZHSQKTN-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156704;MM156704;CNCC(O)CC=CF;OVCXRUOXCZYNOX-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156705;MM156705;CNCC(F)CC=CF;AXJUQDJPBUCVPI-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156706;MM156706;CNCC(C)CC=NN;FCWOGWKTWKUYLT-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156707;MM156707;COCC(C)CC=NO;OIMMPYIVBLAZBI-UHFFFAOYSA-N;131.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156708;MM156708;CC1=NN(C)C(=N)C1O;WMNXQDLVKWFRGS-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156709;MM156709;COCC(O)CC=NO;NNGNBTAFYPUTSY-UHFFFAOYSA-N;133.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156710;MM156710;CC=CCC(C)NCC;OMYSFQYQORCYEM-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156711;MM156711;CCNC(C)CC=NN;PLVURWBTOCHLDZ-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156712;MM156712;CCOC(C)CC=CF;LKNSYHQOTUQQHK-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156713;MM156713;CCOC(C)CC=NN;IMRRXQVAAHGQGG-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156714;MM156714;CCOC(C)CC=NO;CXAOKCMYJDELBJ-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156715;MM156715;CCCC(C)N=CNN;FTGZXXFDJRNMRL-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156716;MM156716;CN=CNC(C)CCN;KZZNBBWDVJXTTQ-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156717;MM156717;CN=CNC(C)CCO;PAJAYJWBGOGWPV-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156718;MM156718;CN=CNC(C)CCF;UQCZDUUNKPWXPT-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156719;MM156719;CC(CCF)N=CNN;RFLNNHKXQAZJQP-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156720;MM156720;CNC=NC(C)COC;RFDWCLQVQRIDGH-UHFFFAOYSA-N;130.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156721;MM156721;CC=NNC(C)CCC;IPENJKGRHVFMPQ-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156722;MM156722;CC=COC(C)CCC;FJJSODKWHXCNSI-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156723;MM156723;CCCC(C)OC=CF;WSNIYVVINSLHMI-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156724;MM156724;CC=COC(C)CCN;AIWKWGNZUANVEC-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156725;MM156725;CC1NC1C(O)C(N)=O;DXBJPWZHOXOSCT-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156726;MM156726;CCCC(C)OC=NO;WHUAFHQWLWRKPQ-UHFFFAOYSA-N;131.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156727;MM156727;CC=COC(C)CNC;ZDDMVERBEMCJLI-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156728;MM156728;CNCC(C)OC=CF;ZPDJGWVUAFYFJR-UHFFFAOYSA-N;133.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156729;MM156729;CC(F)(C=NN)C(O)CF;OPQBDCVQZCYUNT-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156730;MM156730;CC=NOC(C)CCC;YISCMDJTAMOVNB-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156731;MM156731;CC=NOC(C)CCN;LGIKVVKQMYMWCX-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156732;MM156732;CC(O)(CF)C(=NN)NN;HTBACAMQBNLGMG-UHFFFAOYSA-N;150.16;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156733;MM156733;CC=NOC(C)CNC;LHSZSPTYXARDDG-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156734;MM156734;CC=NOC(C)COC;RFSAPGMDIFJIKV-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156735;MM156735;CC=NOC(C)OCC;XYTXFWXLKIRIKV-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156736;MM156736;CC=CCN(C)CCC;WHJRIKRXNISIRH-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156737;MM156737;CC=CCN(C)CCO;YXNSGXMTJQQMNT-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156738;MM156738;CCCN(C)N=CNC;KPWUFMNBWBGNBM-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156739;MM156739;CN=CNN(C)CCN;FDYOXULCCAKDEG-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156740;MM156740;CN(CCN)N=CNO;AQHAKRDULZNERL-UHFFFAOYSA-N;132.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156741;MM156741;CN=CNN(C)CCO;DHDPSQKSNNSECP-UHFFFAOYSA-N;131.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156742;MM156742;C=C(F)CCC(=O)NNC;STFWRMBQVYAVNR-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156743;MM156743;CN=CNN(C)CCF;ZCAPMGSBWROTBH-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156744;MM156744;C=CCC(C)CC=CC;LXTUFCSEFBCFBB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156745;MM156745;C=CCC(C)CC=CF;LNDMQFQFZFCPOS-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156746;MM156746;CC=CCC(C)CC=O;QMWZRDVXXPKGTD-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156747;MM156747;CC=CCC(C)CC#N;HNCYXBGGBYQZCR-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156748;MM156748;C=CCC(N)CC=CC;LWPFTSNRPVHEBU-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156749;MM156749;C=CCC(N)CC=CF;CBBFHCRAGWBLAL-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156750;MM156750;C=C(C)C#CC(O)C=NN;PHCZQDLFWNXCCQ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156751;MM156751;CC=CCC(O)CC#N;FLSPQRSEZOPGBA-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156752;MM156752;C=CCC(F)CC=CC;RIELHFIRRCJQQD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156753;MM156753;C=CCC(F)CC=CF;VLJSYUGVYOYLAW-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156754;MM156754;CC=CCC(F)CC=O;ATVPZTBSGRYVRQ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156755;MM156755;O=CCC(F)CC=CF;JPIOVUCGOYADPV-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156756;MM156756;C=CCC(C)CC=NN;BDDBAAUWCDUSFM-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156757;MM156757;C=CCC(C)CC=NO;ZNEGDRJKWYTSAN-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156758;MM156758;CC(CC=O)CC=NO;RZHIMKZZTQJCQA-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156759;MM156759;N#CCC(O)CC=NO;LAOTYRCLJMCMSC-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156760;MM156760;C=CCC(F)CC=NN;IJYZBOXYXIWPAH-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156761;MM156761;C=CCC(F)CC=NO;XPYCZLMOGUNBIK-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156762;MM156762;CC=CCC(C)NC=N;ZXZQANXTKCRRJV-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156763;MM156763;CC(CC=CF)NC=N;SBZPMSPNUDKAQY-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156764;MM156764;C=NN1CC(O)(C#CC)C1;VGFRIPOLOBHJPJ-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156765;MM156765;CC(CC=NN)NC=N;JHHLGQFWMSRUET-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156766;MM156766;CC(CC=NO)NC=O;NQQMFUWCEBDIBO-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156767;MM156767;C=NNC(C)CC=CC;GZCWEJQJTORFSV-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156768;MM156768;C=COC(C)CC=CC;LMVSAGKQNIQMFC-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156769;MM156769;CC=CCC(C)OC=O;ORLACDIMPXLYHN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156770;MM156770;CC(CC=CF)OC=O;JOZPBNCPLPOWLD-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156771;MM156771;C=COC(C)CC=NN;UUDMEJFBMXYUSK-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156772;MM156772;C=COC(C)CC=NO;YJKCMHZNDMNLDU-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156773;MM156773;C=NOC(C)CC=CF;CYJMGUFYNXZWGV-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156774;MM156774;C=NOC(C)CC=NN;JJWKUDDUBRMDLD-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156775;MM156775;C=CCC(C)NC=NC;PMXPARDEJWZEEV-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156776;MM156776;C=CCC(C)N=CNN;HHKINDNQSLDZFC-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156777;MM156777;CC(C)ON=CC(O)C=O;PUCDPHKPZCGTBA-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156778;MM156778;CN(CC(N)=O)C(=O)NN;RPGKZFUEPBSYIJ-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156779;MM156779;C=CCC(C)OC=CC;OCFQVIYYMUTZQE-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156780;MM156780;CC=COC(C)CC#N;HIVBABYNOTZURX-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156781;MM156781;CC(CC#N)OC=CF;GZHREHWYVDKBRM-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156782;MM156782;CC(=O)NNCCC=CF;SWHRDMCZNVWTFL-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156783;MM156783;CC=NOC(C)CC#N;ANJDJDQYFDZINP-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156784;MM156784;C=COC(C)OC=CC;QYXGDTDPWVGMOK-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156785;MM156785;C=COC(C)OC=CF;KQGQNANUHCHFBZ-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156786;MM156786;CC=COC(C)OC=O;UBYXTCYCJWNASY-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156787;MM156787;C=CCC(=O)NNCCF;QAOYBKWGFNNTHX-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156788;MM156788;C=NOC(C)OC=CF;IQLRFUJORHPZJH-UHFFFAOYSA-N;133.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156789;MM156789;CC=NOC(C)OC=O;YTSWSUQDHLNARV-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156790;MM156790;C=NOC(C)ON=CC;WMAQWKPAVHHXDA-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156791;MM156791;C=CCN(C)CC=CC;PNHXAKXDEVUJPU-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156792;MM156792;CC=CCN(C)CC#N;MXECRSVSVZXOIH-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156793;MM156793;C=NNCC(O)(CO)CF;VWIUCNWDUVMEHP-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156794;MM156794;CN(CC=CF)NC=N;GRXFDMSYDQQDJV-UHFFFAOYSA-N;131.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156795;MM156795;CN(CC=CF)NC=O;BRMHNSCYTSUIQW-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156796;MM156796;CN(CC=NN)NC=N;XELXYFLZTNYQRF-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156797;MM156797;CN(CC=NO)NC=N;HMVRTBLLTHNZIM-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156798;MM156798;CON=CCNC(=O)NN;ZHYNSBPIIIMFBZ-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156799;MM156799;C=NN=CCNC(=O)NN;HGZHDDDIIOWAGT-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156800;MM156800;C#CCC(C)CC=CC;IUEWJFMPCMDMJD-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156801;MM156801;C#CCC(N)CC=CC;WXABTZYTLAXJKE-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156802;MM156802;C#CCC(F)CC=CF;ZQQANXKOIWOKKD-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156803;MM156803;C#CCC(C)CC=NN;UFGKMGFPUGTPOL-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156804;MM156804;C#CCC(N)CC=NO;HBHBJJIESRGHDL-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156805;MM156805;C#CCC(F)CC=NN;KGZYRXLXNZMMKK-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156806;MM156806;C#CCC(C)NC=NC;YBABQTSIAUMMCE-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156807;MM156807;C#CCC(C)N=CNN;JMDKFEHGHOHTFK-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156808;MM156808;C#CCC(C)NN=CC;OQAROAGMQIZZKD-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156809;MM156809;C#CCC(C)OC=CC;BGWMWDKLRCFTOS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156810;MM156810;C#CCC(C)OC=CF;XCWHESSPRPTTCC-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156811;MM156811;NC=NN=CCC(=O)NN;JKZUZFQPUXDKIM-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156812;MM156812;C#CCC(C)OC=NO;FOTXAMDLASGLTB-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156813;MM156813;C#CCC(C)ON=CC;HKMUPEHFRUTUQB-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156814;MM156814;CCCON=CC(O)C=O;GBKSDFISCMQHFY-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156815;MM156815;C=C(CC=CC)CCC;MVVWSADELDVKNI-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156816;MM156816;C=C(CC=CC)CCN;QKTJNCMSTFEJPP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156817;MM156817;C=C(CC=CF)CCN;FRKSWSQZYNVZJZ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156818;MM156818;C=CCON=CC(O)C=O;MEPKNFOKSQTTRP-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156819;MM156819;C=C(CC=CF)CCF;IZNVFWFWZNIFBP-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156820;MM156820;CC=CCC(=O)CCC;SPZVKYOVPXXVMX-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156821;MM156821;CCCC(=O)CC=CF;OBBAKJLKJHTCOS-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156822;MM156822;CC=CCC(=O)CCO;PURDSYZYGZSPLC-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156823;MM156823;O=C(CC=CF)CCO;NMYDICOAZCQHBW-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156824;MM156824;O=C(CC=CF)CCF;ULIAOCGUMHHKEX-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156825;MM156825;C#CCNC(=O)NN;UQGCONLLUMKFOQ-UHFFFAOYSA-N;113.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156826;MM156826;CCCC(=O)CC=NO;SZTUQFBGXZKDSL-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156827;MM156827;C=C(CC=CC)CNC;YDMDXTQTGAPAKS-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156828;MM156828;C=C(CC=CF)CNC;REHTWAFSNXLDAZ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156829;MM156829;CC=CCC(=O)CNC;DPORLENJQNPGBP-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156830;MM156830;CNCC(=O)CC=CF;YDHUAVJEZDGKPD-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156831;MM156831;CC=CCC(=N)NCC;UEWSONZUVUPMDG-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156832;MM156832;CC=CCC(=O)NCC;NUTJXNUAZKUDLS-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156833;MM156833;CCNC(=O)CC=CF;LVTHAJQOVJQXOA-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156834;MM156834;CC1=NNC(=N)C1O;UAHMERPYCBDXQW-UHFFFAOYSA-N;113.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156835;MM156835;NNC(=O)C1CC1O;FPYPJWNTYAXGRE-UHFFFAOYSA-N;116.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156836;MM156836;CNNC(=N)CC=NO;VLZJLFWOYWHEBV-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156837;MM156837;CC=CCC(=O)NOC;HZIWXGLZDKSUEW-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156838;MM156838;C=C(CC=CF)OCC;CDKOUJHQGNJERQ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156839;MM156839;CC=CCC(=O)OCC;UMLQAWUDAFCGGS-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156840;MM156840;CCOC(=O)CC=CF;TUYNPVXVBSYGQW-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156841;MM156841;C=C(CC=NN)OCC;RLGAQDQSCWRWDP-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156842;MM156842;C=C(CC=NO)OCC;WEBNGZDCCDCRKD-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156843;MM156843;CC=CNC(=N)CCC;LABCXUGXIJNVOR-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156844;MM156844;CCCC(=N)NC=CF;SSNDRHMLMFAHRN-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156845;MM156845;CC=CNC(=N)CCN;ROCSBWSCRIUJBR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156846;MM156846;N=C(CCN)NC=CF;VPBJXSKJKCODSC-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156847;MM156847;CC=CNC(=O)CCC;OUHQRAOOZPEEGY-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156848;MM156848;CCCC(=O)NC=CF;MOEJZDWFQLUMDY-UHFFFAOYSA-N;131.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156849;MM156849;NCCC(=O)NC=CF;PBGFGRKNSRBITR-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156850;MM156850;C=C(CCC)N=CNC;NHFIFSCCCQAZIB-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156851;MM156851;C=C(CCC)N=CNN;FCKHOIDIHONCRV-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156852;MM156852;C=C(CCN)N=CNO;NXNCLDFSHZWWJW-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156853;MM156853;C=C(CCO)NC=NC;SISRGDCMKWDENY-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156854;MM156854;C=C(CCF)NC=NC;NQBKIZAINCGBRD-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156855;MM156855;CN=CNC(=N)CCO;JZWGTWWUVVAPQD-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156856;MM156856;N=C(CCO)NC=NN;VJRYGIRHOAYZGY-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156857;MM156857;CCCC(=O)NC=NN;ASINNNVEBSFQCD-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156858;MM156858;CCCC(=O)NC=NO;JKKYYCKCMBMRKK-UHFFFAOYSA-N;130.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156859;MM156859;NCCC(=O)NC=NO;HNLIRKVXRSNIKR-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156860;MM156860;NN=CNC(=O)CCO;FBBYLNWVBZFQJG-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156861;MM156861;O=C(CCO)NC=NO;HXJUSLXRWGLZOD-UHFFFAOYSA-N;132.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156862;MM156862;CN=CNC(=O)CCF;DGPZXDDXNRLFEM-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156863;MM156863;COCC(=O)NC=NN;RDLSTOPXZGGPIE-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156864;MM156864;COCC(=O)NC=NO;LMTKDASCUJZQBD-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156865;MM156865;CC=NNC(=N)CCN;GCLUEEJCRDOQCG-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156866;MM156866;O=CNNC1CC1O;NHTXLXFBEGSSBZ-UHFFFAOYSA-N;116.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156867;MM156867;CC=NNC(=O)CCN;FFEOFVWUQBDJAI-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156868;MM156868;CC=CNC(=N)NCC;YSYKBLLTYINVFE-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156869;MM156869;CCNC(=N)NC=CF;KUQJOMRNTUUAOL-UHFFFAOYSA-N;131.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156870;MM156870;C#CCNNC(=O)CC;XGHKFPKIQZORMQ-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156871;MM156871;CCNC(=O)NC=NN;VAATXELDECIHFT-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156872;MM156872;CNNC(=N)NC=CF;CVMWCVRTRCWXOB-UHFFFAOYSA-N;132.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156873;MM156873;NNC(=O)CC1CC1F;VOKXLSUUQDSCLP-UHFFFAOYSA-N;132.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156874;MM156874;CNNC(=N)NC=NN;SIHMXGXYBDMSIM-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156875;MM156875;CNNC(=N)NC=NO;XWWFBXJSQQLKME-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156876;MM156876;CNc1ncn(C)c1O;NJPFNQPXDMSLPL-UHFFFAOYSA-N;127.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156877;MM156877;COC1=CN=C(NO)C1;FXTGCDGGTSWWNF-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156878;MM156878;CONC(=N)NC=CF;FRMUWKZNTHUEBH-UHFFFAOYSA-N;133.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156879;MM156879;CC=CNC(=O)NOC;CEMZLWIVRMPQFA-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156880;MM156880;CONC(=O)NC=CF;UWYQJUOEBAFNGD-UHFFFAOYSA-N;134.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156881;MM156881;CN=CNC(=N)NOC;GBFQBZRTEZNIFD-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156882;MM156882;CN=CNC(=O)NOC;SZXFVRTTZXQWFJ-UHFFFAOYSA-N;131.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156883;MM156883;CONC(=O)NC=NN;DORKQZMYJPLRFB-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156884;MM156884;CONC(=O)NC=NO;QICPDNNAVNUEOU-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156885;MM156885;CC=NNC(=N)NNC;KTERVFIOVJMNFP-UHFFFAOYSA-N;129.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156886;MM156886;CC=CNC(=O)OCC;VWCSJSCKUQCAAM-UHFFFAOYSA-N;129.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156887;MM156887;CCOC(=O)NC=CF;CNGCBNJGHHTRAZ-UHFFFAOYSA-N;133.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156888;MM156888;C=C(N=CNC)OCC;SAUKXPAXSUIUMZ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156889;MM156889;CC(O)(CC=NN)C(F)F;HRZPRUPZSGURRD-UHFFFAOYSA-N;152.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156890;MM156890;CCOC(=O)NC=NC;DCFMCPUYPWWPHI-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156891;MM156891;CCOC(=O)NC=NN;PILMMNJLPDEJRQ-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156892;MM156892;CCOC(=O)NC=NO;RWWBQEQQATYWJI-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156893;MM156893;CC=NNC(=O)OCC;WXYRXXIQDCZPID-UHFFFAOYSA-N;130.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156894;MM156894;C=C(CCC)OC=CC;ZXJHORCSGWQQIW-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156895;MM156895;C=C(CCC)OC=CF;BMNQVEHRYMWYAT-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156896;MM156896;C=C(CCN)OC=CC;JGTIRKXQSKOBPO-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156897;MM156897;C=C(CCO)OC=CC;BGYUKDFGXWRYBF-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156898;MM156898;CC=COC(=O)CCC;VZRLITNUXBWTTM-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156899;MM156899;CCCC(=O)OC=CF;UHFVDKMXGQEEJR-UHFFFAOYSA-N;132.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156900;MM156900;CC=COC(=O)CCO;IBBFTSMIQRATJG-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156901;MM156901;C=NNC(=N)C(C)(O)CF;DQYUEJMUWHOTRH-UHFFFAOYSA-N;147.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156902;MM156902;C=C(CCC)OC=NO;URSIVSBWBBUUJM-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156903;MM156903;C=C(COC)OC=CC;YHNFMZZZHHYHJF-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156904;MM156904;CC=COC(=O)COC;YKHTYTSJGOQSAU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156905;MM156905;CC=NOC(=O)CCC;WUIKDCQFIJBNEG-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156906;MM156906;CC=NOC(=O)CCN;LCFVHXPTNSHBOY-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156907;MM156907;CN(C)C(=O)CC(=O)NN;HKBSLPBDYVKBNV-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156908;MM156908;C=NOC(C)C(O)C#CC;GTYPQEKJQHMURU-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156909;MM156909;COC(CF)CC(=O)NN;QOXGZCSOBIJWDR-UHFFFAOYSA-N;150.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156910;MM156910;CC=COC(=O)OCC;ZAQXJYGEYWIHAW-UHFFFAOYSA-N;130.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156911;MM156911;CCOC(=O)OC=CF;UZLZSOUXHOJCFN-UHFFFAOYSA-N;134.11;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156912;MM156912;CCOC(=O)OC=NO;YSFBKZSHDJHFAS-UHFFFAOYSA-N;133.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156913;MM156913;C=CCC(=C)CC=CC;MMPYJMDFQOWVQH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156914;MM156914;C=C(CC=O)CC=CC;ZIGCOGCYNKLKAD-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156915;MM156915;C=C(CC#N)CC=CC;TXXOKLBVFSUMAU-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156916;MM156916;C=C(CC=O)CC=CF;YFOZTVPVECTLKF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156917;MM156917;C=C(CC#N)CC=CF;SPSHMBMQBIHGGY-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156918;MM156918;C=CCC(=O)CC=CC;QDVCREQHYGJERU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156919;MM156919;C=CCC(=O)CC=CF;JEVIKOUQADVBMT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156920;MM156920;C=CCC(=C)CC=NN;ZCWJTZWCTOPHJX-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156921;MM156921;C=CCC(=C)CC=NO;NUFWSFCDIJOUKH-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156922;MM156922;C=C(CC=O)CC=NO;XBFVBVJFWIXRFD-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156923;MM156923;C=C(CC#N)CC=NO;SGXTWTZGEWMCTM-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156924;MM156924;C=C(CC=CC)NC=N;PYVIIAVTWWMYHG-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156925;MM156925;C=C(CC=CC)NC=O;QFZKORMEKXWHAZ-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156926;MM156926;C=CNC(=N)CC=CC;BRIJGERKYCKAPY-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156927;MM156927;C=CNC(=N)CC=CF;XVVYUDIEZLKQPS-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156928;MM156928;C=NOCCNC(=O)NN;IUNGSHPUTPDAHL-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156929;MM156929;C=CNC(=O)CC=CC;RAALDBPNIGNJMG-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156930;MM156930;N=CNC(=N)CC=NN;WNOGVQPBRABCNF-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156931;MM156931;C=CNC(=O)CC=NO;QHOXUWDHGCKFLV-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156932;MM156932;N=CNC(=O)CC=NO;QOTMRVKXGHUNOH-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156933;MM156933;O=CNC(=O)CC=NO;JAFVDUQYEJSAFN-UHFFFAOYSA-N;130.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156934;MM156934;C=NNC(=O)CC=CF;MKQZJJUFNSKUOZ-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156935;MM156935;C=COC=CNC(=O)NN;DRKASQYERQGPLX-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156936;MM156936;C=COC(=C)CC=CF;QXPDIDCGSQIPSA-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156937;MM156937;C=COC(=O)CC=CC;TZJIUGQJYDVBLA-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156938;MM156938;C=COC(=O)CC=CF;TUFCMWPVEWFDQP-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156939;MM156939;C=COC(=C)CC=NN;FTIFAUKBTREKOV-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156940;MM156940;C=COC(=C)CC=NO;ICYVLQQNIZFMKH-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156941;MM156941;COC=C(CO)C(=O)NN;WCQPSNXZRJIHFY-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156942;MM156942;C=CCC(=N)NC=CC;KDNHWIZRGLRDOT-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156943;MM156943;C=CCC(=N)NC=CF;FUDXKSTVZZFEOT-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156944;MM156944;CC=CN=C(N)CC=O;JTWMPPWDGNRMGE-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156945;MM156945;N=C(CC=O)NC=CF;CANYZGXNOHPABV-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156946;MM156946;C=CCC(=O)NC=CC;PSUCGDTUHIWYEI-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156947;MM156947;C=CCC(=O)NC=CF;UUEHZGKACGYKDM-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156948;MM156948;O=CCC(=O)NC=CF;ULNDVFCBXBTSIX-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156949;MM156949;C=CCC(=C)NC=NC;YTAXNHWHOMEIBC-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156950;MM156950;COC(CF)CNNC=O;VQPCYMHPEJJLMC-UHFFFAOYSA-N;150.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156951;MM156951;C=CCC(=O)NC=NN;VXGSSULYKNHEDI-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156952;MM156952;C=CCC(=O)NC=NO;XROSXCHPNYACLC-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156953;MM156953;CN=CNC(=O)CC#N;IQMNGUTUXHFZIM-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156954;MM156954;N#CCC(=O)NC=NO;MXQVUSAKKMFFKG-UHFFFAOYSA-N;127.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156955;MM156955;C=CC(=NO)NCC1CO1;SDGWIPUAUOFKHG-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156956;MM156956;C=CCC(=O)NN=CC;PUDNCRQQWMKDAL-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156957;MM156957;CC=NNC(=O)CC=O;FOQIWOQEVTXDEB-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156958;MM156958;CC=NNC(=O)CC#N;MLSSNWKYQQVLRK-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156959;MM156959;CC=CNC(=N)NC=N;KDOPCXZVKUDIOZ-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156960;MM156960;N=CNC(=N)NC=CF;SRCFPMKDRMBCCR-UHFFFAOYSA-N;130.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156961;MM156961;C=CNC(=O)NC=CC;CXNICKCJMBWYMC-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156962;MM156962;C=CNC(=O)NC=CF;CQBRADNVNWTXGO-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156963;MM156963;O=CNC(=O)NC=CF;BSKXKBPIYXUHAD-UHFFFAOYSA-N;132.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156964;MM156964;NNC(=O)OCCO;QRUJHMHDAILHCB-UHFFFAOYSA-N;120.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156965;MM156965;C=CNC(=N)NC=NN;WPHSRMWUSZSKJM-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156966;MM156966;C=CNC(=N)NC=NO;UPBISRKPMUNBHB-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156967;MM156967;CN=CNC(=N)NC=N;CYTXLRKVXRGADZ-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156968;MM156968;N=CNC(=N)NC=NN;ILLKWJDTVBLNHT-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156969;MM156969;N=CNC(=N)NC=NO;FXURCKIQVFRAKJ-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156970;MM156970;CN=CNC(=N)NC=O;XAJMWVYYRPRVQS-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156971;MM156971;CC(=O)NNC(C)CF;VPOGSDBYKXSADI-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156972;MM156972;C=CNC(=O)NC=NN;KUTJLONSLRBHBH-UHFFFAOYSA-N;128.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156973;MM156973;C=CNC(=O)NC=NO;CRKXOKDRRVZWOX-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156974;MM156974;CCC(=O)NNCCF;IXETXKBUQXVBHA-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156975;MM156975;C#CCNC(C=C)=NO;MSBDJWOQKGHMHC-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156976;MM156976;CCc1cnc(CO)[nH]1;IQPCLDKBSXJSNZ-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156977;MM156977;NN=CNC(=O)NC=O;AVAUYMMKAWQZIO-UHFFFAOYSA-N;130.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156978;MM156978;O=CNC(=O)NC=NO;ZBKLVHXOHPNMGJ-UHFFFAOYSA-N;131.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156979;MM156979;C=NNC(=O)NC=NN;SIKADKIYGHPIBD-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156980;MM156980;C=NNC(=O)NC=NO;MNZZSRDVDUUAHJ-UHFFFAOYSA-N;130.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156981;MM156981;C#Cc1c[nH]c(CO)n1;GQOIMKDVMJBLEM-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156982;MM156982;N=C(NC=CF)OC=O;GLSPZQVYYLULAI-UHFFFAOYSA-N;132.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156983;MM156983;C=COC(=C)NC=NC;UQTFMYLUGHEVST-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156984;MM156984;CON=CCNNC=O;RWMYWZHEXKJJED-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156985;MM156985;CC(C)C(F)CC(=O)NN;NQRSNHVGYNUCEL-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156986;MM156986;C=NOC(=O)NC=CF;ZNFQCOAIBYZGEM-UHFFFAOYSA-N;132.09;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156987;MM156987;CCCC(F)CC(=O)NN;WIEMEWMEYNDXMQ-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156988;MM156988;C=NOC(=O)NC=NO;BCULJXAVYFFQNI-UHFFFAOYSA-N;131.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156989;MM156989;C=CCC(=C)OC=CC;QJHPWQGTNNINDF-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156990;MM156990;C=C(CC=O)OC=CC;PMPBRJCPROWIPQ-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156991;MM156991;C=C(CC#N)OC=CC;NIHIZOZOJZPHKF-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156992;MM156992;C=C(CC#N)OC=CF;HZCJEPWVQIKPCK-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156993;MM156993;C=CCC(=O)OC=CF;OCXVKZNNGRYLMZ-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156994;MM156994;CC=COC(=O)CC=O;SEYMPZDLFJIKLE-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156995;MM156995;CC=COC(=O)CC#N;WCZIGGLAQMZAHP-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156996;MM156996;O=CCC(=O)OC=CF;SEUTUUBEYGJQNL-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156997;MM156997;N#CCC(=O)OC=CF;ARLDUQNFHJCSJL-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156998;MM156998;C=C(OC(C)C)C(=O)NN;IDYPBUDBMRSDMH-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM156999;MM156999;C=CCC(=C)OC=NO;MQNSIWUSAYJTNX-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157000;MM157000;COC(=O)CCC(=O)NN;HIEPUBKQBYPOSC-UHFFFAOYSA-N;146.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157001;MM157001;C=C(NC=N)OC=CC;DXLDYENGXSMGNG-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157002;MM157002;C=C(NC=N)OC=CF;PTMFDGGCCKDVJR-UHFFFAOYSA-N;130.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157003;MM157003;C=C(NC=O)OC=CC;ZVVSZGBDQCOIEH-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157004;MM157004;C=C(NC=O)OC=NN;CHTDXYCKHWGXFW-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157005;MM157005;C=C(NC=O)OC=NO;MGNPQEYEEXEZLQ-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157006;MM157006;N=C(NC=O)OC=NN;CCHVMNYCAILJIW-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157007;MM157007;N=C(NC=O)OC=NO;LCLMECWCCDNTSD-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157008;MM157008;NN=COC(=O)NC=O;BRDVZIKNKJUVMQ-UHFFFAOYSA-N;131.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157009;MM157009;O=CNC(=O)OC=NO;SJQCRGHEAZXNCU-UHFFFAOYSA-N;132.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157010;MM157010;C=CNC(=O)ON=CC;WJCYEJVUOIMPEB-UHFFFAOYSA-N;128.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157011;MM157011;C=COC(=O)OC=CF;RVXHKMNBBDASTG-UHFFFAOYSA-N;132.09;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157012;MM157012;N=CN1CC(O)(CO)C=N1;OMMDJFYRDUAGEU-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157013;MM157013;C=NOC(=O)OC=CC;SMFDBZYMDPBELD-UHFFFAOYSA-N;129.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157014;MM157014;C#CCC(=C)CC=CC;DZTBGJRIQJYOAE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157015;MM157015;C#CCC(=C)CC=CF;SOFKFQVMYJLLJH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157016;MM157016;C#CCC(=O)CC=CC;LGLWNDOANHSCOB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157017;MM157017;C#CCC(=O)CC=CF;DGNCOXUPNMJUAA-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157018;MM157018;C#CCC(=C)CC=NN;UMTHHFCBUNBUOB-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157019;MM157019;C#CCC(=C)CC=NO;UKKHQLLSKRUPJO-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157020;MM157020;C#CCC(=N)NC=CC;ROIFCXVFKJTKSA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157021;MM157021;C#CCC(=O)NC=NC;BHIRPCVZDZHLGD-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157022;MM157022;C#CCC(=O)NC=NN;CRRHLNWIEBVIHY-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157023;MM157023;C#CCC(=O)NC=NO;QVXPPTAOBJNAAO-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157024;MM157024;COC(CC(=O)NN)=NN;GFWKIEKGBRATNT-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157025;MM157025;C#CCC(=O)NN=CC;JUPMFLALPRGWSQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157026;MM157026;C#CCC(=C)OC=CC;NRZJLSSSJZWPJO-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157027;MM157027;C#CCC(=O)OC=CC;UKIPRVYNHZPGJI-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157028;MM157028;NNC(=O)CCOCCF;XUTQVZZWNQOGOD-UHFFFAOYSA-N;150.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157029;MM157029;C#CCC(=C)OC=NO;UAYZBSQXYZLDCP-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157030;MM157030;C#CCC(=O)ON=CC;KRBHMDDQHFJSBN-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157031;MM157031;CC#CCC(C)CCC;XZDRUJGZOSRSBY-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157032;MM157032;CC#CCC(C)CCN;HWTPUIMQPJCQIN-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157033;MM157033;C#CC=CCOC(=O)NN;FJZKSVAJRKMIFS-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157034;MM157034;CC#CCC(N)CCC;YSVMMONPUXNRRL-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157035;MM157035;CC#CCC(N)CCN;SJKYPERQHPZEFT-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157036;MM157036;C=CC1NC(=O)N(C)C1=N;KMYDHICKNCBOLI-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157037;MM157037;CC#CCC(O)CCO;QGLSJANTPRSOLM-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157038;MM157038;CC#CCC(F)CCN;HHRVAIDTHMVQCF-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157039;MM157039;CC#CCC(C)CNC;ZIODIFZHQLMMFQ-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157040;MM157040;CC#CCC(N)CNC;XAIXWPRCCVVMPN-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157041;MM157041;CC#CCC(N)COC;SMPPOXPEGDKQKY-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157042;MM157042;CC#CCC(O)COC;NYWAMILJDKGXGB-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157043;MM157043;CC#CCC(C)NCC;NPPGCJXCINRDAD-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157044;MM157044;CC#CCC(C)OCC;YQGCZRKETWQFLZ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157045;MM157045;CC#CCN(C)CCC;ONOZDFMBBPEXRP-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157046;MM157046;CC#CCN(C)CCN;GEMGFIDKFVMEMD-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157047;MM157047;C=CCC(C)CC#CC;LCSQEPOVYHPNHU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157048;MM157048;CC#CCC(C)CC=O;HJPQIFYYMRITOH-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157049;MM157049;CC#CCC(C)CC#N;GKKGVUQXSTWFBA-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157050;MM157050;C=CCC(N)CC#CC;CXJHHIAOBPJACJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157051;MM157051;Cc1cc(C#CC#N)[nH]n1;YAOYPGKWILNLCB-UHFFFAOYSA-N;131.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157052;MM157052;CC#CCC(O)CC=O;UTTIXTRCUKRKBF-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157053;MM157053;CC#CCC(O)CC#N;IJLUVFUTCLLPOH-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157054;MM157054;C=CCC(F)CC#CC;JKYKIQNGPHDTMH-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157055;MM157055;O=CNNCC1(C=O)CN1;MWKXVFYDURADHZ-UHFFFAOYSA-N;143.15;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157056;MM157056;C=NNC(C)CC#CC;XJEZVFUUSGDXGC-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157057;MM157057;C=COC(C)CC#CC;PSDDKYFBYLQPAP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157058;MM157058;CC#CCC(C)OC=O;QQUAWTJDZHGTHT-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157059;MM157059;C=CCCCCNC=NO;IGZFTDOLZLZDRQ-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157060;MM157060;CC#CCN(C)CC#N;WMXDFIFGRQLXBK-UHFFFAOYSA-N;122.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157061;MM157061;CC#CCN(C)NC=N;NTKGZRDAAWFDOP-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157062;MM157062;CC#CCN(C)NC=O;MPZLUVJCILNPLA-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157063;MM157063;C#CCC(C)CC#CC;QORWIKTZNJQVIB-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157064;MM157064;Nc1cn(O)cn1;HBHXRMCOFVEVTK-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157065;MM157065;C=C(CC#CC)CCC;AMDMFURLDOSXLM-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157066;MM157066;C=C(CC#CC)CCN;LAUUIRKPKXDJSX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157067;MM157067;NNC(=O)C1CN1;RBGGMTVDIAOUGT-UHFFFAOYSA-N;101.11;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157068;MM157068;CC#CCC(=O)CCC;NLSIWASQISBUGE-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157069;MM157069;CC#CCC(=O)CCF;AUOISNSFBUGZBG-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157070;MM157070;C=C(CC#CC)CNC;MIFAULYPXMWYBB-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157071;MM157071;CC#CCC(=N)NCC;AGVOIDRTIJAFOE-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157072;MM157072;CC#CCC(=O)NCC;CZTICTXQRCJJPS-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157073;MM157073;C=C(CC#CC)OCC;OQWFNHLTYLLHBT-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157074;MM157074;CC#CCC(=O)OCC;PEWKPKXRKGIKDO-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157075;MM157075;C=CCC(=C)CC#CC;GGPKTSXJQPHYKW-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157076;MM157076;C=C(CC#CC)CC=O;RREBYWMJOBKZBN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157077;MM157077;C=C(CC#N)CC#CC;ZZUYOWVTHQYQKE-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157078;MM157078;C=CCC(=O)CC#CC;MDOIJNVGWIQDNN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157079;MM157079;C=C(CC#CC)NC=O;LENADESDQITIKJ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157080;MM157080;CC#CCC(=N)NC=N;NUGGZVKFGAWDAB-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157081;MM157081;CC(=O)CNNC=O;JCXIHKNWWULSED-UHFFFAOYSA-N;116.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157082;MM157082;CCOCC(=O)NN;NBPLLPBYZXYAMN-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157083;MM157083;C=NNC(=O)CC#CC;ORELYAYFYPTWHB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157084;MM157084;C=COC(=C)CC#CC;LRTMKRKGOHFXMS-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157085;MM157085;C=C(CC#CC)OC=O;FMGYBHVVTLNGNG-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157086;MM157086;C=COC(=O)CC#CC;ZFNYNKODFPLNRM-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157087;MM157087;C=NOC(=O)CC#CC;RLFZTUMUACYANU-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157088;MM157088;C#CCC(=C)CC#CC;CHHGPBOCTGJXKB-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157089;MM157089;C#CCC(=O)CC#CC;SNCBMCLBFSWHCK-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157090;MM157090;CC=CC(C)CCCC;HJJLGGXQXVNFBB-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157091;MM157091;CC=CC(C)CCCN;BCCILXJJKWQXHU-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157092;MM157092;C#CC(N)=CC(=O)NN;FZDSLZOCIVBZFF-UHFFFAOYSA-N;125.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157093;MM157093;CC=CC(C)CCCF;HRCLBQUJVYJDOR-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157094;MM157094;CC(C=CF)CCCN;ZSSMBSKJVQMMTR-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157095;MM157095;CC(C=CF)CCCF;AEDTZTOWJLGTIY-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157096;MM157096;CC=CC(N)CCCC;UUUBBZXEPKDFQC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157097;MM157097;CC=CC(N)CCCN;FMZMGJDNZSTJPG-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157098;MM157098;CC=CC(N)CCCF;AXYFMYAIESFCFR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157099;MM157099;CCCCC(N)C=CF;ZMNIPVNNEFDFGM-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157100;MM157100;CC(CO)NNC(N)=O;MZIHFWUUVUNRMD-UHFFFAOYSA-N;133.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157101;MM157101;OCCCC(O)C=CF;FDDAFHXLDPWYEI-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157102;MM157102;CC=CC(F)CCCN;GIYSVKUFGUKQMA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157103;MM157103;CC=CC(F)CCCO;OEWKMHMNRWPQAG-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157104;MM157104;CC=CC(F)CCCF;BQNVDMFHOLFGJS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157105;MM157105;NCCCC(F)C=CF;UXIVDNQIVBNOMQ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157106;MM157106;FC=CC(F)CCCF;VZGUKNRQXWCYEL-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157107;MM157107;CC=CC(C)CCNC;YVXVTFQHDDXXQV-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157108;MM157108;CNCCC(C)C=CF;MFEDNPDMLHMDPX-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157109;MM157109;CC=CC(O)CCNC;KWINBTDVSMLZQO-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157110;MM157110;CC=CC(F)CCNC;ANQULFMLGYUIBL-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157111;MM157111;CNCCC(F)C=CF;OWHWCTAMAZDJFE-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157112;MM157112;CC=CC(C)CCOC;KSFMJYCYYFXTCX-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157113;MM157113;COCCC(C)C=CF;BZXQJDONXKHSJK-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157114;MM157114;CC=CC(N)CCOC;JLURULHAALUMEP-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157115;MM157115;CC=CC(O)CCOC;NGLGFROAKRBPLX-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157116;MM157116;COCCC(F)C=CF;HRFHKRSXDNFBHY-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157117;MM157117;C#CC1(O)CN(N=C)C1;PAEVGTPGEIYCHG-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157118;MM157118;CC(C=NN)CCCF;ZDYUYBBXPILHNK-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157119;MM157119;CC(C=NO)CCCO;RHIHSABTUXXURR-UHFFFAOYSA-N;131.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157120;MM157120;CCCCC(N)C=NO;LHRKBLDKLILILJ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157121;MM157121;NN=CCOC(=O)NN;LYSWRVKBOPRESX-UHFFFAOYSA-N;132.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157122;MM157122;CC=CC(C)CNCC;WIXUYBRGFQAETJ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157123;MM157123;CC=CC(O)CNCC;LOMFVZFYRWSPPR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157124;MM157124;CC=CC(F)CNCC;PMSSVWAAJZTWMR-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157125;MM157125;CCNCC(F)C=CF;KSOBLSMGXPVSQD-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157126;MM157126;CCNCC(N)C=NO;GRFLGSHARWHJCE-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157127;MM157127;CC=CC(C)COCC;MEHVXHBVBRTGIF-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157128;MM157128;CCOCC(C)C=CF;YMOZQSHNEMCLKL-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157129;MM157129;CC=CC(N)COCC;RXWCBQQEQPRDQW-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157130;MM157130;CCOCC(F)C=CF;BEILUJFLJGNDSR-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157131;MM157131;NNC(=O)NC=CCO;PUNAIZPFRYTCMX-UHFFFAOYSA-N;131.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157132;MM157132;CC=CC(C)NCCC;WRJVBFQUPCUSCN-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157133;MM157133;CC=CC(C)NCCN;SLQYTNZLNIDJNC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157134;MM157134;CC=CC(C)NCCO;QBJQKVXDQIAWBR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157135;MM157135;CCCNC(C)C=CF;WMMIXJSGIAUKNX-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157136;MM157136;CC(C=CF)NCCN;NZJRRFUQXATHGC-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157137;MM157137;CC=CC(C)OCCN;JHEZXGYVAUAPQD-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157138;MM157138;CC=CC(C)OCCO;IOPOHXQLTPEGMC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157139;MM157139;CC=CC(C)OCCF;COWUBGNMBIAUGG-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157140;MM157140;CC=CC(C)OCOC;JGPPHNAZQBEYHL-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157141;MM157141;CCCCN(C)C=NC;WYAMBGXBRFGSIW-UHFFFAOYSA-N;128.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157142;MM157142;CN(C=NN)CCCO;QUFYBGGOKDQVPZ-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157143;MM157143;CCNC(=NO)NOC;CCAZEXIFFNJVFY-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157144;MM157144;CCCCN(N)C=NC;WEBZKQDQQDEIGL-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157145;MM157145;CN=CN(N)CCCO;FXULEXXTJLDHEY-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157146;MM157146;C#CC(C=C)NNC=O;ZTIXWVZSHLCHOG-UHFFFAOYSA-N;124.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157147;MM157147;C=CC(C)(C)NC(C)=NO;KLNKQHOJFDLFRG-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157148;MM157148;CC(=O)NN(C)CCCF;LHZHVBYOLOZBMZ-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157149;MM157149;NCCCN(O)C=NO;CIKYWMFYOBOSHE-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157150;MM157150;OCCCN(O)C=NO;PYNPZZZHVHTHQL-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157151;MM157151;CN=CN(N)CCNC;ZTXMCQUDAUDUAU-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157152;MM157152;CNCCN(N)C=NN;BDWTUBJWTXEFTG-UHFFFAOYSA-N;131.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157153;MM157153;CNCCN(N)C=NO;RFUNAQBKJNSWLZ-UHFFFAOYSA-N;132.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157154;MM157154;CN=CN(C)CCOC;XXPCADQHSLHVIF-UHFFFAOYSA-N;130.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157155;MM157155;COCCN(C)C=NN;GXLWMRYDZSKZIF-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157156;MM157156;CN(N)C=NC(=O)C(N)=O;QOGMOKNPOXXVEV-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157157;MM157157;COCCN(O)C=NO;LEOJVJYSOHDXAB-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157158;MM157158;CON=C(N)CC(=O)NN;JWVFKXRQRPZNIT-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157159;MM157159;C#CC1(O)CN(N=CC)C1;FJLZRDCZQNKRHI-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157160;MM157160;CN(C=NO)OCCN;SXNDPNNVQDEPAQ-UHFFFAOYSA-N;133.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157161;MM157161;CN(C=NO)OCCO;IXQGUTWNGNHDQH-UHFFFAOYSA-N;134.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157162;MM157162;C=CCCC(C)C=CC;SHYOOVRLUAKIGL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157163;MM157163;CC=CC(C)CCC=O;RDYHYPKJTJQPRW-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157164;MM157164;CC=CC(C)CCC#N;RWCDKQXQCOAEGE-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157165;MM157165;CC(C=CF)CCC=O;JORQDBNYXLNAQF-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157166;MM157166;CC(C=CF)CCC#N;UGCNXGHMNDNTRZ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157167;MM157167;C=CCCC(N)C=CC;WKHMMTRWTJHELT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157168;MM157168;C=CCCC(N)C=CF;JNLKNNRWGJCPOH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157169;MM157169;C=NOC(=O)NNC=NN;NHVLVZAJKMPHJZ-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157170;MM157170;CC=CC(O)CCC=O;OURNDCXNSVHXER-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157171;MM157171;CC=CC(O)CCC#N;PYVHZWBDVGYAFF-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157172;MM157172;C=CCCC(F)C=CC;VJUQSDGWRWIRCM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157173;MM157173;CC=CC(F)CCC=O;IJHBFYXLVBZPOI-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157174;MM157174;CC=CC(F)CCC#N;SRMFLXMVQOSSSF-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157175;MM157175;CC(C=NO)CCC=O;JUUPFBNYYBSVSV-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157176;MM157176;CC=CC(C)CNC=N;JAWRVONJFXGSBV-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157177;MM157177;C#CCN(C)C(=O)NNC;BTFPPRYUWGMTAN-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157178;MM157178;CC(C=CF)CNC=N;ANZUSIWPOISPEB-UHFFFAOYSA-N;130.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157179;MM157179;CC=CC(N)CNC=O;JDNKVPVLTYNWFO-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157180;MM157180;CC=CC(O)CNC=N;LOGNKSKEKPCTSX-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157181;MM157181;O=CNCC(O)C=CF;BWHXRXGEZZOIAA-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157182;MM157182;C=NNCC(C)C=CC;PKJJZWVOOZAUOE-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157183;MM157183;C#CC(O)C(O)CNN=C;PWOKWMRIFUCXRB-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157184;MM157184;C=NNCC(F)C=CF;YRRPYMWJZFKDFJ-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157185;MM157185;CCNC(C#N)C(=O)C=O;XRMUHLLNVZJQRT-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157186;MM157186;N=CNCC(O)C=NN;QOGXFDMXSIYGJF-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157187;MM157187;COC=CNC(=NO)NN;JZTJUEVIHVFRRA-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157188;MM157188;Nc1ncn(O)c1N;MYQROZVYKYCEEI-UHFFFAOYSA-N;114.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157189;MM157189;C=COCC(C)C=CC;VKNTTZABCAIZAK-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157190;MM157190;CC=CC(C)COC=O;XLHIZAUEERMTJC-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157191;MM157191;C=COCC(N)C=CC;RMMDGIUCAYGENH-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157192;MM157192;CC=CC(N)COC=O;PDAGJOQNAAFIAA-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157193;MM157193;NC(C=CF)COC=O;BRXBTDFBIVXVRH-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157194;MM157194;C=COCC(O)C=CC;NWZJDXNVMGPNGF-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157195;MM157195;C=COCC(O)C=CF;OZGODGZQAAIGQM-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157196;MM157196;CC=CC(F)COC=O;CWIUMIHWQOPSLH-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157197;MM157197;O=COCC(F)C=CF;NXMNMRDQQOCQSO-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157198;MM157198;C=NOCC(F)C=CC;YOWKEPVRPFOIJD-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157199;MM157199;C=C(C)OCC(=O)NN;VBPAXGJDNYUFDD-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157200;MM157200;CN1CC(O)(CO)C=N1;XCYOLEOLINXPRP-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157201;MM157201;NN=CC(O)C#CCO;YLBWPZWVGSANPI-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157202;MM157202;C=CCNC(C)C=CC;VFXRJFWAHMOZMS-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157203;MM157203;CC=CC(C)NCC#N;YZFNNWNDURDHRZ-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157204;MM157204;O=CNNCC(O)CO;CDQJCFANMYHMMT-UHFFFAOYSA-N;134.14;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157205;MM157205;CNC(=O)CNNC=O;HTINHONWXNAUKE-UHFFFAOYSA-N;131.14;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157206;MM157206;C=CCOC(C)C=CC;MJQZMUVKTXLKLR-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157207;MM157207;CC=CC(C)OCC=O;CALALTMFWNCLLJ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157208;MM157208;CC=CC(C)OCC#N;AGBKXQHOXWIKJE-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157209;MM157209;C=CCOC(C)C=CF;ZZIGAVYJAUWSKC-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157210;MM157210;CC=CC(C)ONC=N;MXCWPMTXGKDZJI-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157211;MM157211;CC=CC(C)ONC=O;XFHTUSIYDVGTSV-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157212;MM157212;CC(C=NN)ONC=O;MVUCCSLWHWJCDR-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157213;MM157213;C=CCCN(C)C=NC;WRUJNTGLCVTYOP-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157214;MM157214;C=CCCN(C)C=NN;ZRDGAXUNCKGCJU-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157215;MM157215;CC=COCC(=O)NN;WKIFTOYVOOIHOB-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157216;MM157216;C=CCCN(N)C=NC;VLUCQLFLSZXBBW-UHFFFAOYSA-N;127.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157217;MM157217;N#CCCN(O)C=NO;IZTLGIGELLZVJX-UHFFFAOYSA-N;129.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157218;MM157218;CC=CN(N)C(=O)NN;WKBKZZCNNSFMMA-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157219;MM157219;CN(C=NO)OCC=O;CHMQOFDLXOGCMF-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157220;MM157220;C#CCCC(C)C=CC;KWOMYBXNWHQRMY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157221;MM157221;C#CCCC(N)C=CC;VHXKNBWKSLKLIB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157222;MM157222;C#CCCC(N)C=CF;REAMMVUSFIQPGV-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157223;MM157223;C#CCCC(F)C=CC;BAUXYFZJFJUPRW-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157224;MM157224;C#CCCC(C)C=NO;QUYVELQFTRUIFO-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157225;MM157225;C#CCNC(C)C=CC;HWKBCZOVZLQMCY-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157226;MM157226;C#CCOC(C)C=CC;HJIXEDXMTKDOSP-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157227;MM157227;C#CCOC(C)C=CF;LASPYGHGLJSAQY-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157228;MM157228;C#CCOC(C)C=NN;BEZYMXHAUMHIEV-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157229;MM157229;C#CCCN(C)C=NC;VAAFTASILVOJOD-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157230;MM157230;C#CCCN(C)C=NN;KZMGWWKOCLJVEC-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157231;MM157231;CNN1C(=O)C(O)C1C;XKRWXUXNEPBNLM-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157232;MM157232;NNC(=O)OCCC(N)=O;FPOVARVMPQVMFX-UHFFFAOYSA-N;147.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157233;MM157233;C#CCCN(O)C=NO;FVILXKCIECOSJD-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157234;MM157234;C#CCCN(C)N=CC;XQQZMNBIFPYTMU-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157235;MM157235;C=C(C=CC)CCCC;UQGMTBJIKUEEST-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157236;MM157236;C=C(C=CC)CCCN;CAYSCCMBUDJOIX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157237;MM157237;C=NN(C)CC(=O)CC#N;AJUHMXPYIDXVNB-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157238;MM157238;C=C(C=CC)CCCF;NAIGPEOGNHNSNB-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157239;MM157239;C=C(C=CF)CCCC;WHWHIMLUAIQYCA-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157240;MM157240;C=C(C=CF)CCCN;JQGXIGWYCAVMOZ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157241;MM157241;CNNC(=O)C=C(N)C=O;KIMVKZHIVCRMCF-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157242;MM157242;C=C(C=CF)CCCF;QISQLPBQUCWZAT-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157243;MM157243;CC=CC(=O)CCCC;FMDLEUPBHMCPQV-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157244;MM157244;CC=CC(=O)CCCO;YHADYKQPBIJTIB-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157245;MM157245;CC=CC(=O)CCCF;CWQURQMMUVAOIJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157246;MM157246;CCCCC(=O)C=CN;JCHFZNDTYCLXIW-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157247;MM157247;NC=CC(=O)CCCO;LZTARVBSTSSOAY-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157248;MM157248;C=C(C=CC)CCNC;QQAIKKXDJXWICW-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157249;MM157249;CNCCC(=O)C=CN;ZXEOSSCPVSHZFJ-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157250;MM157250;CNCCC(=O)C=CF;DRMSKZZLOURKKP-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157251;MM157251;C=C(C=CC)CCOC;HLMKMNHEQUVGHL-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157252;MM157252;CC=CC(=O)CCOC;IJRKCRICHQXRSC-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157253;MM157253;CN(N)C(=O)C(O)C=CF;URFHKJHJWPKGKV-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157254;MM157254;C=C(C=NO)CCCO;BYZJQNYXGUOYCD-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157255;MM157255;C=C(C=NO)CCCF;JRNCXHGXUUKHPT-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157256;MM157256;CCCCC(=O)C=NO;NTKGSOGYUJUGCY-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157257;MM157257;C=C(C=NN)CCOC;OVAJDXVUBWAKAR-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157258;MM157258;C=C(C=CC)CNCC;HYHHTBBTBCZXDE-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157259;MM157259;C=C(C=CF)CNCC;FDAFBXQHOTZLLO-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157260;MM157260;CC=CC(=O)CNCC;QXBGOKUHRYWNBH-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157261;MM157261;C=C(C=CC)COCC;MDKFPYKAANETSF-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157262;MM157262;CCOCC(=O)C=CF;QTHHDGNZQDXKMS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157263;MM157263;C=C(C=NN)COCC;BCGZRQYTOAHUEX-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157264;MM157264;N=C(C=CN)NCCN;HNRZUHSZOGBTEM-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157265;MM157265;C=CC(F)=CCC(=O)NN;CMTXNGLOXCGZIB-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157266;MM157266;NC=CC(=O)NCCN;XHJGFFKMFHLLIJ-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157267;MM157267;NC=CC(=O)NCCO;LUOZJRHTBDUUKR-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157268;MM157268;N=C(C=NN)NCCO;QOBVSTVCMJQOGQ-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157269;MM157269;CC=CC(=N)NNCC;WIUHNICSKUETFL-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157270;MM157270;CCNNC(=N)C=CF;ZKTFTKNOYHNXON-UHFFFAOYSA-N;131.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157271;MM157271;CC=CC(=N)NOCC;VLSKDGUEFYGTAP-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157272;MM157272;CCONC(=N)C=CN;KGSBUTUQBYTSEX-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157273;MM157273;Cc1nc(=O)n(O)n1O;SZCHVSHCUDIJMJ-UHFFFAOYSA-N;131.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157274;MM157274;Cc1c(F)oc(O)c1F;LOFBYAMJFKUYNJ-UHFFFAOYSA-N;134.08;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157275;MM157275;C=C(C=CC)OCCC;FESHBCHTHXJRSR-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157276;MM157276;C=C(C=CC)OCCN;RWSLSZSRQDPNNT-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157277;MM157277;C=C(C=CC)OCCO;JUDDXOPRFAAWLD-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157278;MM157278;C=C(C=CC)OCCF;FFBANKZAHXQGPL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157279;MM157279;CC=CC(=O)OCCC;ZHDCHCTZRODSEN-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157280;MM157280;CC=CC(=O)OCCN;SUDQTWSWLBEBLL-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157281;MM157281;NC=CC(=O)OCCN;PKYIWDWAMZUPLI-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157282;MM157282;NC=CC(=O)OCCO;HJXPPIRECCVVGJ-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157283;MM157283;CCCOC(=O)C=CF;MQUUSHPEXLJEGQ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157284;MM157284;O=C(C=CF)OCCO;HHFRICRGJBLADM-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157285;MM157285;C=C(C=CF)OCOC;FCYCGZGMKCPJNE-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157286;MM157286;COCOC(=O)C=CF;GJFQZDQOKYJXKS-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157287;MM157287;C=C(C=NN)OCCC;JDTNBGVVSZZIBM-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157288;MM157288;NN=CC(=O)OCCO;JLUGGSFZTCQCNY-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157289;MM157289;C=CCCC(=C)C=CC;XMWBQLNHDXOJAP-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157290;MM157290;C=C(C=CC)CCC=O;YFJQAPIKSKSAEE-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157291;MM157291;C=C(C=CC)CCC#N;RINIPGFWTZRZIN-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157292;MM157292;C=C(C=CF)CCC=O;WYINZASCQQVQFY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157293;MM157293;C=C(C=CF)CCC#N;VGXMOXUCYOKZCC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157294;MM157294;C=CCCC(=O)C=CC;PRVSADDRRLEJRJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157295;MM157295;CC=CC(=O)CCC=O;CNDZNYDKTSAYDT-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157296;MM157296;CC=CC(=O)CCC#N;ZOLAGQRTHCNVKW-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157297;MM157297;C=CCCC(=O)C=CF;WLQGMVPFOMFBRT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157298;MM157298;O=CCCC(=O)C=CF;UVBKXZXGFAQBTR-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157299;MM157299;C=CCCC(=C)C=NN;HNZAUMSKRUEJSO-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157300;MM157300;CCN1CC(O)(CO)C=N1;TWVFLJLPMBAHDT-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157301;MM157301;C=C(C=NO)CCC=O;QKEGJNQKRFKCNZ-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157302;MM157302;C=C(C=NO)CCC#N;SQDMXZUHRRUIFX-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157303;MM157303;C=C(C=CC)CNC=N;ZDNFPHZGTLHFJZ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157304;MM157304;CCC(N)=CC(=NO)NC;LFUNEUFLIUJLKJ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157305;MM157305;NC=CC(=O)CN=CN;GOTSVOHDHAGUCJ-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157306;MM157306;N=CNCC(=O)C=CF;JRENDAYWYKXMPE-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157307;MM157307;C=NNCC(=C)C=CC;UECUEGBOLRGSGL-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157308;MM157308;NNC(=O)C=C(CO)CF;NQAKDBRPWADZKS-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157309;MM157309;C=C(C=NO)CNC=O;YEGFGICDEUAOSP-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157310;MM157310;CC(=O)NNC1(CO)CC1;DWUIECHFZBBSEN-UHFFFAOYSA-N;144.17;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157311;MM157311;C=COCC(=C)C=CC;APTOYPRVEYAGCL-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157312;MM157312;C=C(C=CC)COC=O;GDHVDOHTCVZPCG-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157313;MM157313;C=COCC(=O)C=CC;IUSDOIPMAXAGFF-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157314;MM157314;C=COCC(=O)C=CN;WDAWDJGHYAVJRR-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157315;MM157315;NC=CC(=O)COC=O;PYEXOKFECNAOGC-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157316;MM157316;C=C(C=NN)COC=O;FBWYJTLWAWBJGI-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157317;MM157317;C=COCC(=C)C=NO;XLSODKQFMDUQJO-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157318;MM157318;CC=CC(=N)NCC=O;JDQZFLGDRCXCJH-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157319;MM157319;C=CCNC(=N)C=CF;UOORIQCOLCSXFW-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157320;MM157320;N=C(C=CF)NCC=O;SBXJWDDFARJFGT-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157321;MM157321;CC(C(=O)NN)N(C)C=O;GFEHSUPIWDLPDW-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157322;MM157322;N#CCNC(=O)C=CN;BPBVXDATOKCBOE-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157323;MM157323;C=CCNC(=O)C=CF;WHIRLYNQHNWZIM-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157324;MM157324;O=CCNC(=O)C=CF;CIWWPBUIRICWPW-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157325;MM157325;C#CCNC(=O)NNCC;HEFDKUNFWBJWQR-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157326;MM157326;CNN=CC(O)C#CCF;MNSYAFCPRCKJDH-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157327;MM157327;C=CCNC(=O)C=NO;XTACKHRKZDMDQS-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157328;MM157328;N#CCNC(=O)C=NO;UIYPVYCOTJBIQT-UHFFFAOYSA-N;127.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157329;MM157329;N=C(C=CN)NNC=O;CMNYZTNRIUUYSU-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157330;MM157330;N=CNNC(=N)C=NN;LBYZOWMTDOTKGI-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157331;MM157331;N=CNNC(=N)C=NO;MDAPBHWGEPKKOB-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157332;MM157332;NC=CC(=O)NOC=O;TXUJKWKJWHIGFZ-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157333;MM157333;C#CC(O)C(CC)ON=C;NQDKJFRBSXSXNG-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157334;MM157334;N=C(C=NO)NOC=O;FIXSQSAXDNOERR-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157335;MM157335;C=CCOC(=C)C=CC;VPELRFJTFBBVDR-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157336;MM157336;C=C(C=CC)OCC=O;ORKSIBUGXDJPMH-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157337;MM157337;C=C(C=CC)OCC#N;ZDXSFQPXWPSOAQ-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157338;MM157338;C=C(C=CF)OCC#N;XXJHOOMQCKGCMZ-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157339;MM157339;CC=CC(=O)OCC=O;ZOICPOGNIZNCDO-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157340;MM157340;NC=CC(=O)OCC=O;UFHOSZLDKNMGQI-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157341;MM157341;C=CCOC(=O)C=CF;VXBAXEOOXWBODX-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157342;MM157342;O=CCOC(=O)C=CF;QQKRBXYOLPOXGX-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157343;MM157343;N#CCOC(=O)C=CF;DUUNEGDNZZHJSQ-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157344;MM157344;C=CCOC(=C)C=NN;JCKPKJIWBOHKOE-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157345;MM157345;C=C(C=NO)OCC=O;COCLFBHVXPZZGI-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157346;MM157346;C=C(C=NO)OCC#N;LXPSSTABFKHJON-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157347;MM157347;CC=CC(=O)ONC=O;WIYAHGQDRJTSNO-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157348;MM157348;NC=CC(=O)ONC=O;VFIHWEAGMQHDRC-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157349;MM157349;NN=CC(=O)ONC=O;DKLBKSJVIABLHK-UHFFFAOYSA-N;131.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157350;MM157350;Nc1c(F)oc(O)c1F;CDGNPRNWXSUXEN-UHFFFAOYSA-N;135.07;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157351;MM157351;C#CCCC(=C)C=CC;DHLYSDNIFUZGDS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157352;MM157352;C#CCCC(=O)C=CC;COOUIHOFVLANQR-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157353;MM157353;C#CCCC(=O)C=CF;NXVAZSKHTTWIAS-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157354;MM157354;C#CCCC(=C)C=NN;XZPGHFBENPZRPB-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157355;MM157355;C#CCCC(=C)C=NO;PDBDHZVAQGKZQU-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157356;MM157356;C#CCNC(=O)C=CN;YXBHJMYVOGBMLP-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157357;MM157357;C#CCNC(=O)C=NN;RHZADABQIQKVEK-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157358;MM157358;C#CCNC(=O)C=NO;FLKLFOOXVZPGMG-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157359;MM157359;C#CCOC(=C)C=CC;MLJNKSLYOBFNFM-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157360;MM157360;C#CCOC(=C)C=CF;WHXIXOCXAXZKSY-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157361;MM157361;C#CCOC(=O)C=CC;BVMNCGXSFZQPNI-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157362;MM157362;C#CCOC(=O)C=CN;ULFBRYAEPZOZCD-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157363;MM157363;C#CCOC(=O)C=CF;HLKKWDFUFKYHCR-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157364;MM157364;CON=C(NN)C(O)CF;DEDHNILCOKVTST-UHFFFAOYSA-N;151.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157365;MM157365;CC=CCC(C)C=CC;UVAJNHJZOQGXLA-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157366;MM157366;CC=CC(C)CC=CF;MNRRMFXCTOUWHV-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157367;MM157367;CC=CCC(C)C=CF;WJGOFKQLAQHCGY-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157368;MM157368;CC=CCC(N)C=CC;VFNMNECBQGGRJQ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157369;MM157369;CC=CC(N)CC=CF;RWOXNELULVPERO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157370;MM157370;CC=CCC(N)C=CF;YVPYNOTYFFUKLO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157371;MM157371;NC(C=CF)CC=CF;VXQFPIWQTGOBNG-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157372;MM157372;C=C(C)C(OC)C(=O)NN;PCQAQQKHQCZXGR-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157373;MM157373;CC=CC(O)CC=CF;HVBJGVSPCSQZMT-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157374;MM157374;CC=CC(F)CC=CF;OXUFKUQOJWHDSG-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157375;MM157375;CC=CCC(F)C=CF;ZGFYJCAFXXBUMW-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157376;MM157376;CC=CC(C)CC=NN;ZIHRJUXCYIFRRP-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157377;MM157377;CC=CC(C)CC=NO;XUHQVERMYFTKEK-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157378;MM157378;Cc1c(O)c(=NN)on1C;XLNNSIXZPNZBMO-UHFFFAOYSA-N;143.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157379;MM157379;ON=CCC(O)C=CF;ATUZIBQDIHCURT-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157380;MM157380;CC=CC(F)CC=NN;UYXYZDORAGDGHQ-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157381;MM157381;CC=CC(F)CC=NO;QIKNSAHRJKYVEO-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157382;MM157382;CC=CCC(C)C=NO;YJFLBFVJXJURTH-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157383;MM157383;O=CNNCC(CO)CF;LBPLHVBSEJSOJR-UHFFFAOYSA-N;150.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157384;MM157384;NN=CC(O)CC=NO;WGFDLBZVUIHWTR-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157385;MM157385;CC=CC(C)NC=NC;JCUKSSFUNBQTPF-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157386;MM157386;CC=CC(C)N=CNN;RHUREXYZZQKURK-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157387;MM157387;CN=CNC(C)C=NN;ZZPRELDLHVKALA-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157388;MM157388;CC=CC(C)NN=CC;SABFTAYOTSFZMU-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157389;MM157389;CC=COC(C)C=CC;NVUOXSYYCICBFK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157390;MM157390;C#CC(CNNC=O)OC;YHFHRERWYXSEED-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157391;MM157391;CC=CC(C)OC=NO;CBBMSLNEDURQMP-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157392;MM157392;CC=COC(C)C=NN;KCGUBRGSQFNOHC-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157393;MM157393;CN=CN(C)CC=CF;DGTDVPAINRDYSQ-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157394;MM157394;CN(C=NN)CC=CF;GAKIYGUREOWTFU-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157395;MM157395;CC1NC1C(O)C#CC#N;HKMDKEFCZBOMIX-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157396;MM157396;CN1CC(O)(C=O)C1;JAFKZNHHMIOVPA-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157397;MM157397;ON=CN(O)CC=CF;XKCUKCRWOJGXCY-UHFFFAOYSA-N;134.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157398;MM157398;OCC1(O)C=NNC1;SGDYFLPSSXUPOO-UHFFFAOYSA-N;116.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157399;MM157399;CN(C=NO)CC=NO;VPOYEGGFWDAFGY-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157400;MM157400;CN=CN(N)CC=NN;HKSYDRLVUFIBAP-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157401;MM157401;CN=CN(N)CC=NO;XJFNECZXEMVBSD-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157402;MM157402;CC1C(O)C(=O)N1N;SXGYQWXEGKBWAF-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157403;MM157403;N=c1n(O)nnn1O;WIKSKRNMJRVORC-UHFFFAOYSA-N;117.07;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157404;MM157404;C=COc1c[nH]cn1;ONPVKXDAHZTDEO-UHFFFAOYSA-N;110.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157405;MM157405;O=CNNCC1CO1;ILMJLKDUHLPWAI-UHFFFAOYSA-N;116.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157406;MM157406;NN=CN(O)CC=NO;NGLQYAWIAFYPNW-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157407;MM157407;NN=CCN(O)C=NO;XRISHAIANWLYGL-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157408;MM157408;ON=CCN(O)C=NO;QQEGMKXRQLZSAK-UHFFFAOYSA-N;133.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157409;MM157409;CC=CCN(C)N=CC;DYRQKSORYQFCQF-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157410;MM157410;CC=NN(C)CC=CF;YJLASACQJQUNTJ-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157411;MM157411;CN=CNN(C)C=NC;YAAUCLQUSGVCPO-UHFFFAOYSA-N;128.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157412;MM157412;CC(=O)NNCC(C)F;BATUBXWTVHPUBI-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157413;MM157413;CCN1CC(O)(C=O)C1;HAQXSBGLCAXAOJ-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157414;MM157414;C=C(C=CC)CC=CC;CLBISOGSPYBYMW-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157415;MM157415;C=C(C=CC)CC=CF;BMXKZLBJLDJGME-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157416;MM157416;C=C(C=CF)CC=CC;ZCHQEUVZNHIXDQ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157417;MM157417;CC=CCC(=O)C=CC;LQPDPDIQUODDCH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157418;MM157418;CC=CC(=O)CC=CF;CYRRVEJHMQBIOP-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157419;MM157419;CC=CCC(=O)C=CN;WAAZPUAQHYGSDN-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157420;MM157420;O=C(C=CF)CC=CF;KJHDRTDOINQADJ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157421;MM157421;C=C(C=CC)CC=NN;PGZCIOOUEQXMAQ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157422;MM157422;C=C(C=CC)CC=NO;HFUGUSWUYWJJEL-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157423;MM157423;NC=CC(=O)CC=NO;DEJVPYKXEPNKMX-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157424;MM157424;CC=CCC(=O)C=NO;JRNSNVASEFHFQU-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157425;MM157425;CC=CNC(=N)C=CC;MJQAPBHAWWFCDO-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157426;MM157426;CC=CC(=N)NC=CF;KPLXVKBHWWPTEY-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157427;MM157427;N=C(C=CN)NC=CF;HYAQQGRJLMPJNE-UHFFFAOYSA-N;129.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157428;MM157428;CC=CC(=O)NC=CF;UIJALZJNPIKEHD-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157429;MM157429;CC=CNC(=O)C=CF;CKINMNFOIXMDMP-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157430;MM157430;C=C(C=CC)NC=NC;YPBNVXQEBQHLGH-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157431;MM157431;C=C(C=CC)N=CNN;VGHBVTJJAJSKSA-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157432;MM157432;CON=CNNC(N)=O;MJBFXGUICDLSPO-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157433;MM157433;C=CCOCC(=O)NN;WYXJQOJRMRVQSS-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157434;MM157434;NC=CC(=O)NC=NO;LAEPPTSDLMXIPC-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157435;MM157435;C=C(C=NN)NC=NC;UMVAOAKGPZFTPR-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157436;MM157436;C=C(C=NO)NC=NC;KLSIBRUDGHYANO-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157437;MM157437;C#CCNNC(=O)C=C;GDHPAJXYWUCWCB-UHFFFAOYSA-N;124.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157438;MM157438;NNC(=O)CCC=CF;INZOJKYILMJWGB-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157439;MM157439;CNNC(=O)C1(C)CN1;VWXVAGXFRGNJIL-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157440;MM157440;NN=Cc1ccn(O)c1;IULWGDAOOPQQBI-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157441;MM157441;NN=CNC(=O)C=NN;BCHHIBZHXMFWKK-UHFFFAOYSA-N;129.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157442;MM157442;NN=CC(=O)NC=NO;XSDCNNHISOSQLQ-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157443;MM157443;NN=CNC(=O)C=NO;KQRIVIUEXXBQPP-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157444;MM157444;O=C(C=NO)NC=NO;LGDMINKUIUAUAO-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157445;MM157445;CC=NNC(=N)C=NO;WHNFEPJYWWKFMN-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157446;MM157446;C=C(C=CC)OC=CC;FPQHPFPTVGUTFT-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157447;MM157447;C=C(C=CC)OC=CF;NIKIPYWJZJSWNO-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157448;MM157448;CC=COC(=O)C=CC;GIUZLFFFEMPRAQ-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157449;MM157449;CC=CC(=O)OC=CF;OSUUIIHTOWGVLS-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157450;MM157450;CC=COC(=O)C=CN;GDKQTESYSYQAOR-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157451;MM157451;C=C(C=CC)OC=NO;NBHLOGKKQMLZSL-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157452;MM157452;CCn1cnc(N)c1O;CEQPBOAVXMEBTL-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157453;MM157453;C=C(C=CF)OC=NO;GICHNKXXVHEBTG-UHFFFAOYSA-N;131.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157454;MM157454;CCNNC(=O)C1CN1;RVXAOGNOTGXCHZ-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157455;MM157455;CC=CC(=O)ON=CC;OLWHPTZUDFUWJY-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157456;MM157456;CC=NOC(=O)C=CF;OWCDEYVKEZVAOC-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157457;MM157457;CC#CCC(C)C=CC;UJAYBKTZIHWRRS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157458;MM157458;CC#CCC(C)C=CF;QCBLILDXUVEGRW-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157459;MM157459;CC#CCC(N)C=CC;GYJGVYGKGUZWLO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157460;MM157460;CC#CCC(N)C=CF;MSLUNNAGBJEOIT-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157461;MM157461;N#CC#CC(O)C1CN1;UOKMECZENKTUKH-UHFFFAOYSA-N;122.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157462;MM157462;CC#CCC(C)C=NN;DINOFUWDPWIGSP-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157463;MM157463;CC#CCC(C)C=NO;SWMGHCOQTJIMGR-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157464;MM157464;CC(=NN)C(O)C(C)(C)F;SYZODFHNMRTAEG-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157465;MM157465;CC#CCN(C)C=NC;YWGVNBJWLLHZKU-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157466;MM157466;C#CC(C)(C)NNC(C)=O;KIRXVEGPBWLVSM-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157467;MM157467;COC=C(C)NC(=O)NN;XKRMZWTWKNIKCB-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157468;MM157468;CCCN1CC(O)(C=O)C1;GPFSYJYMKSCNDZ-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157469;MM157469;CC#CCN(O)C=NO;FHGMIZXDMVLLFC-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157470;MM157470;C=C(C=CC)CC#CC;XYUCHVAFDALBSZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157471;MM157471;CC#CCC(=O)C=CC;DOJBSBRHMRWYGE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157472;MM157472;CC#CCC(=O)C=CN;PLDYFLDRQOZDHZ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157473;MM157473;C=C(C=NN)CC#CC;YEGDQZZDSVVKRR-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157474;MM157474;C=C(C=NO)CC#CC;POFNCJGISXOCSF-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157475;MM157475;CC#CC(C)CCCC;LZUVCTALSXGSNJ-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157476;MM157476;CC#CC(C)CCCN;SLICIGYSKKYZAN-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157477;MM157477;CC#CC(C)CCCO;KCEMLANGQILBBP-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157478;MM157478;CC#CC(C)CCCF;OKMGDSQVKMKCBZ-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157479;MM157479;CC#CC(N)CCCC;KYUOIBZEBRZRND-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157480;MM157480;CC#CC(N)CCCF;WRRYFVMTFNNODR-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157481;MM157481;CC#CC(O)CCCC;UMNYVSHHZVIDIY-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157482;MM157482;CC#CC(O)CCCF;IGZVYELIBFKENH-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157483;MM157483;CC#CC(F)CCCC;MBQCAGNCOLPKFK-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157484;MM157484;CC#CC(F)CCCN;VCDRCIJTTMEOIU-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157485;MM157485;CC#CC(C)CCNC;YGNZRINSXFIDDV-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157486;MM157486;CC#CC(N)CCNC;PQNJTZDRZVVRLN-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157487;MM157487;CC#CC(F)CCNC;YQBINLKTNBJJQJ-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157488;MM157488;CC#CC(C)CCOC;WFSBVGIOLAWYFE-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157489;MM157489;CC#CC(N)CCOC;NKOZPENBSRKSTJ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157490;MM157490;CC#CC(O)CCOC;HBHCRXDFZHMCKO-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157491;MM157491;CC#CC(F)CCOC;SHGNGPATWJQBGY-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157492;MM157492;CC#CC(C)CNCC;PNYOUTISKMFCSC-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157493;MM157493;CC#CC(O)CNCC;RJRNLNJNOHVXKM-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157494;MM157494;CC#CC(C)COCC;CGTMPTNGPVNHEF-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157495;MM157495;CC#CC(N)COCC;XDQRHUVMUPUTGO-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157496;MM157496;CC#CC(O)COCC;REMHUOKCNGEUCB-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157497;MM157497;CC#CC(F)COCC;GTDZYLSFSNWEFY-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157498;MM157498;CC#CC(C)NCCC;BBLKWJWFOGQNBB-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157499;MM157499;CC#CC(C)OCCC;AGQNOESGJXKAFT-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157500;MM157500;CC#CC(C)OCCN;BWMPKIFCLSRVQO-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157501;MM157501;CC#CC(C)OCCO;ZJMOPQSDYKFQSG-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157502;MM157502;CC#CC(C)OCCF;AJRONNDNRBYFBD-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157503;MM157503;C=CCCC(C)C#CC;PGVKHOBVDILBKI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157504;MM157504;CC#CC(C)CCC=O;DXTCWSKMVTWZQV-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157505;MM157505;CC#CC(C)CCC#N;XJJLVBVVSCJLRA-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157506;MM157506;C=CCCC(O)C#CC;PIMKNMHFUAHNMC-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157507;MM157507;CC#CC(O)CCC=O;GLGXWGQPVAEMDF-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157508;MM157508;CC#CC(F)CCC=O;OXOOIOIMBNQBEY-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157509;MM157509;CC#CC(C)CNC=N;LWFIPHIFNREVHC-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157510;MM157510;C=CCN1CC(O)(C=O)C1;BKVSFEZEWMAFIS-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157511;MM157511;CC#CC(N)CNC=N;PXWUYMFKIUGDQK-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157512;MM157512;CC#CC(O)CNC=N;BWYMLQPICPALFT-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157513;MM157513;CC#CC(F)CNC=O;MEGCTHBJUPHELK-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157514;MM157514;C=NNCC(C)C#CC;NUCUOWLINGKFPB-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157515;MM157515;C=NNCC(F)C#CC;ZFKLJISFKQTDCS-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157516;MM157516;C=COCC(C)C#CC;CAGAQMBBAJOWNA-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157517;MM157517;CC#CC(C)COC=O;WMSJXHMWKFWFOV-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157518;MM157518;C=COCC(N)C#CC;NCNIPSOQNUEBJZ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157519;MM157519;C=COCC(O)C#CC;NPWJSSGNAAKPNQ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157520;MM157520;C=COCC(F)C#CC;ZLYFSALQVQXTPW-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157521;MM157521;CC#CC(F)COC=O;RROLAFHYEURHCX-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157522;MM157522;C=NOCC(C)C#CC;HMZFXCBBJNFILF-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157523;MM157523;C=CCNC(C)C#CC;YBXZZFYDMPYOEU-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157524;MM157524;CC#CC(C)NCC#N;OTDYZOANQBRXEC-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157525;MM157525;C=CCOC(C)C#CC;YXHVYEJYYSPBBA-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157526;MM157526;CC#CC(C)OCC=O;YWWSSIQWJOFTDA-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157527;MM157527;CC#CC(C)OCC#N;SVYGUHSVYFQBFQ-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157528;MM157528;C#CCCC(C)C#CC;GTKNWEWKQLQWJN-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157529;MM157529;C#CCCC(N)C#CC;KYRJIHAWJPHEOX-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157530;MM157530;C#CCCC(O)C#CC;NZFKYWJWMHTALH-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157531;MM157531;C#CCCC(F)C#CC;LHCNLPLKSLQREU-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157532;MM157532;C#CCOC(C)C#CC;ZMNBWQVUVBTKAT-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157533;MM157533;C=C(C#CC)CCCC;BTXBLCQGARGYFS-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157534;MM157534;C=C(C#CC)CCCN;SCCDUQYANTZMFC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157535;MM157535;C=C(C#CC)CCCO;ITVXLFOHPPGPOP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157536;MM157536;C=C(C#CC)CCCF;ILQJOXGDYSFUDM-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157537;MM157537;CC#CC(=O)CCCC;RNBOGXBQIHAAMH-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157538;MM157538;CC#CC(=O)CCCF;XMNHELGJSZFZIS-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157539;MM157539;C=C(C#CC)CCNC;HUPWTGQZILZACU-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157540;MM157540;C=C(C#CC)CCOC;VLVSIEXBHUVQPQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157541;MM157541;C=C(C#CC)CNCC;CSPJQFDSZZIBGB-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157542;MM157542;C=C(C#CC)COCC;NWOLEUAMMTZDEI-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157543;MM157543;CC#CC(=O)COCC;HEKOYKAIKACGDL-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157544;MM157544;CC#CC(=N)NCCC;YZGNGADKWICPBA-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157545;MM157545;CC#CC(=N)NCCN;KRQZBRDEWGJZJG-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157546;MM157546;CC#CC(=O)NCCN;ZRSVMDIHJIORGG-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157547;MM157547;CC#CC(=O)NCCO;ODAYNAONBOITBN-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157548;MM157548;CC#CC(=O)NOCC;SYXFHZUVDRJFEO-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157549;MM157549;C=C(C#CC)OCCC;HAKWESOKYOPESY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157550;MM157550;CC#CC(=O)OCCC;RRIHTUZFXYJIHT-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157551;MM157551;CC#CC(=O)OCCN;KTHKYDAXUBHAHH-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157552;MM157552;C=C(C#CC)OCOC;XZXRTOHRHFXTHQ-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157553;MM157553;CC#CC(=O)OCOC;IUOBEZJAEAQVBF-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157554;MM157554;C=CCCC(=C)C#CC;BXEBAAFGIDVZGQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157555;MM157555;C=C(C#CC)CCC=O;AOZMCMIMXXVWAZ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157556;MM157556;C=C(C#CC)CCC#N;BTBGXCQCRDUXKE-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157557;MM157557;C=CCCC(=O)C#CC;MXAJMAQJGCKIJX-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157558;MM157558;CC#CC(=O)CCC=O;MZLIMESKZISIAK-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157559;MM157559;CC#CC(=O)CCC#N;SNMKQMFKDFDSMS-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157560;MM157560;C=C(C#CC)CNC=N;DGKMJJSVCLGSGB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157561;MM157561;C=C(C#CC)CNC=O;FWWFIJDDPPCCHX-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157562;MM157562;CC#CC(=O)CNC=O;FVFMQVOJGDOMRI-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157563;MM157563;C=NNCC(=C)C#CC;SUQADYWOIVDYQO-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157564;MM157564;CC(C)N1CC(O)(C=O)C1;OHSJBUOSLUZGSG-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157565;MM157565;C=COCC(=C)C#CC;PZNWQNMCVNLLMU-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157566;MM157566;C=C(C#CC)COC=O;BHXXQFOXZZLTRJ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157567;MM157567;C=COCC(=O)C#CC;OKVIEMKFONIFHG-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157568;MM157568;C=NOCC(=C)C#CC;LPXZRWCVHVRWCR-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157569;MM157569;CNC(=O)CNC(=O)NN;WBQIOHXMVKZVOC-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157570;MM157570;CC#CC(=N)NNC=N;QBDLLNWQENIGSO-UHFFFAOYSA-N;124.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157571;MM157571;CC#CC(=O)NNC=O;SYVLGWWRSJIEKQ-UHFFFAOYSA-N;126.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157572;MM157572;C=CCOC(=C)C#CC;CWIKSHXNKUWFBH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157573;MM157573;C=C(C#CC)OCC#N;UYJVKXSPIVLVSI-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157574;MM157574;C=CCOC(=O)C#CC;VELKDUKZZPGDRB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157575;MM157575;CC#CC(=O)OCC=O;AJKMIYIZTMQSRC-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157576;MM157576;C#CCCC(=C)C#CC;TYFVZQOTXKSZPP-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157577;MM157577;C#CCCC(=O)C#CC;PMYYMDPUNHVFHB-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157578;MM157578;C#CCNC(=O)C#CC;MFGQWCAHZRVORS-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157579;MM157579;C#CCOC(=C)C#CC;NYJGEXHRKAQHAW-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157580;MM157580;C#CCOC(=O)C#CC;YJHDXZAVAIMYNG-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157581;MM157581;CC#CC(C)CC=CC;OJVBZBHIHFKFDF-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157582;MM157582;CC#CC(C)CC=CF;YIZJWYQUYBMXHR-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157583;MM157583;CC#CC(N)CC=CC;DVXWIXKSFNSXDE-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157584;MM157584;CC#CC(N)CC=CF;QMBJCQJQXQLZBO-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157585;MM157585;CC#CC(O)CC=CC;RIKUVAXHVCBIKC-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157586;MM157586;CC#CC(F)CC=CC;OJZASMCRCHHRSJ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157587;MM157587;CC#CC(C)CC=NN;KOGXLZNOYOZWFM-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157588;MM157588;CC#CC(C)CC=NO;ZPDAVCVKUQONLX-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157589;MM157589;NNC(=O)C=CC(F)CO;IBJFXOFRLCIRRI-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157590;MM157590;CC#CC(F)CC=NN;CZZGJUKRCPFMRO-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157591;MM157591;CC#CC(F)CC=NO;SJVBMEMVHFJWQW-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157592;MM157592;CC#CC(C)NC=NC;SGJDHGMIQZCUMB-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157593;MM157593;CC#CC(C)NN=CC;LCOVVTHKKOGUAO-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157594;MM157594;CC#CC(C)OC=CC;AMOZVUMTMOGCPR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157595;MM157595;CC#CC(C)OC=CF;DDOVUAIFZOKQTF-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157596;MM157596;C=CC(=CF)CC(=O)NN;INXBDADFHXXRFW-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157597;MM157597;CC#CC(C)OC=NO;HRPOGWIBTPJAHZ-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157598;MM157598;CC#CC(C)ON=CC;BEPPRIPUMHROLQ-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157599;MM157599;C=C(C#CC)CC=CC;TYQPKQGKXOHLMV-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157600;MM157600;C=C(C#CC)CC=CF;QFBFXMAWCSUFRX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157601;MM157601;CC#CC(=O)CC=CC;CHLJNGDNYRXSNI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157602;MM157602;CC#CC(=O)CC=CF;KPNOJYZBQRTNIF-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157603;MM157603;C=C(C#CC)CC=NN;ISJXAKCITSUTIL-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157604;MM157604;C=C(C#CC)CC=NO;AFCMZIBVHXPWMU-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157605;MM157605;CC#CC(=O)CC=NO;LAPVRGMUSBGLOA-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157606;MM157606;CC#CC(=N)NC=CC;AYCYKKAVIXJCPS-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157607;MM157607;CC#CC(=O)NC=CF;OYLRRYRLBPGQAH-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157608;MM157608;C=C(C#CC)NC=NC;GYMMMOFUZHDUDB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157609;MM157609;CC#CC(=O)NC=NC;PCQWESQATMSACW-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157610;MM157610;CC#CC(=O)NC=NN;GJHPIJAYSMNLNK-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157611;MM157611;C=CC(=N)N(C)C(=O)NN;FFFCBDWWRRAOPW-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157612;MM157612;CC#CC(=O)NN=CC;JGRVBJHLLXKFLN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157613;MM157613;C=C(C#CC)OC=CC;MNWVPYJCXSGMOZ-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157614;MM157614;CC#CC(=O)OC=CC;ISKFYQOUVNJDKH-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157615;MM157615;CC#CC(=O)OC=CF;KWVMQQVJGWMZLP-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157616;MM157616;N=CN(O)C(=N)C(O)CF;IJDLABFKXVVVBX-UHFFFAOYSA-N;149.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157617;MM157617;C=C(C#CC)OC=NO;VUTXJHXHWBFHKV-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157618;MM157618;C#CC(O)C(C)ON=CC;CYKCCRCGGASLMA-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157619;MM157619;CC#CC(=O)ON=CC;XQCSYMPFTGJOGU-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157620;MM157620;CC#CCC(C)C#CC;UMEDLJKKSMMZRD-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157621;MM157621;CC#CCC(N)C#CC;WZJISCQTZFQJMG-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157622;MM157622;CC#CCC(O)C#CC;IDPWYOQTSHQYFT-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157623;MM157623;CC#CCC(F)C#CC;OHBOQJXGBNFDMS-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157624;MM157624;C=C(C#CC)CC#CC;RMUTZPWVNRZCOO-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157625;MM157625;CC#CCC(=O)C#CC;JQCGJQQXJJHGPR-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157626;MM157626;CCC=CC(C)CCC;ODXRNOGFKODIHX-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157627;MM157627;CCCC(C)C=CCO;NFQOETVWTFJMMB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157628;MM157628;CC(C=CCO)CCO;YVXQMZZVWDRDAY-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157629;MM157629;CC(C=CCN)CCF;DNYXDTPVFROSTL-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157630;MM157630;CC(C=CCO)CCF;IYIXPDHBNMWZAN-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157631;MM157631;CCC=CC(N)CCC;QJKKUVILEFRSEI-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157632;MM157632;CCCC(N)C=CCO;WMPFSQGDFWJUJK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157633;MM157633;CCCC(N)C=CCF;SZBMUVKAKPCEHR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157634;MM157634;CCC=CC(N)CCN;ATCGQAHVNPZKFV-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157635;MM157635;NC(C=CCF)CCO;SSJNYYBYXHTVQU-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157636;MM157636;CCC=CC(N)CCF;BJXIYNBYJJOYLB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157637;MM157637;NCC=CC(N)CCF;YYGCFMGLDLPUBP-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157638;MM157638;CCCC(O)C=CCN;SDCLUPQMMKTQKR-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157639;MM157639;CCCC(O)C=CCF;OKHBHFZHQCEJRN-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157640;MM157640;CCC=CC(O)CCN;LQJYHCPFEQACND-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157641;MM157641;NCCC(O)C=CCF;YNCKBOYBPAXHNB-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157642;MM157642;CCC=CC(O)CCO;WOZUNYLWFZHJRT-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157643;MM157643;NCC=CC(O)CCO;HHECCXUMBTZCNA-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157644;MM157644;CCC=CC(F)CCC;YJXKPZLYSNHWHA-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157645;MM157645;CCCC(F)C=CCN;AXNGQULMDSLRSI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157646;MM157646;CCCC(F)C=CCO;SSWSMQDHKQPUAT-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157647;MM157647;NCC=CC(F)CCF;PAOSSQFWXMYYCU-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157648;MM157648;OCC=CC(F)CCF;XGKUCLGZURTWJL-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157649;MM157649;COC=CC(C)CCN;NMABVZVBDMYQBB-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157650;MM157650;CCCC(N)C=COC;WVYPYXFNXYXNBC-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157651;MM157651;COC=CC(N)CCN;VZPKPFWHOFWUGU-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157652;MM157652;CCCC(O)C=COC;GCERBVVBIMWZTL-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157653;MM157653;CCCC(F)C=COC;WGDMHWWPEVMLGB-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157654;MM157654;CNCC(C)C=CCF;YERLFCKEGGSHQV-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157655;MM157655;CCC=CC(N)CNC;FQBOFRTVSQCQPB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157656;MM157656;CCC=CC(O)CNC;LYBCEFZULRUTEP-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157657;MM157657;CNCC(O)C=CCO;IXDHJPIIGVNGRM-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157658;MM157658;CNCC(O)C=COC;OBWYSGWVANKFMC-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157659;MM157659;COCC(O)C=CCN;GZYFXYJAGQSCOG-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157660;MM157660;COCC(O)C=CCO;ARKYJKMTQMNXDY-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157661;MM157661;COCC(F)C=CCF;ZBDOXFUDJLUNAU-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157662;MM157662;COC=CC(N)COC;HHSRADUIROUUNS-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157663;MM157663;CCCC(C)C=NNC;LHKQYRYCSOEADM-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157664;MM157664;CNN=CC(C)CCF;SYQKFUXNNXXWOR-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157665;MM157665;CNN=CC(N)CCN;UCSZVZIAIBKKRV-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157666;MM157666;CNN=CC(O)CCN;LZUUIHLKNRCPAT-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157667;MM157667;CNN=C(NO)C(O)CF;XXADTNLULBWUCN-UHFFFAOYSA-N;151.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157668;MM157668;CON=CC(C)CCN;GBPXBLWMBNBNPZ-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157669;MM157669;CON=CC(C)CCF;XDVQOLGXRUVFDA-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157670;MM157670;CCCC(N)C=NOC;SNBWZPPZDUQLJB-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157671;MM157671;CON=CC(N)CCO;ZGMLVLZOYBIPIQ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157672;MM157672;CN1CC1C(O)C#CC#N;BBTZIBAIHVWKCO-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157673;MM157673;CON=CC(O)CCN;MWAYSBPPEJCWIK-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157674;MM157674;CC1(O)C=NNC1=N;QGSHWQCEYJJZFL-UHFFFAOYSA-N;113.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157675;MM157675;CNCC(N)C=NNC;CCFPKSKVNBXQAO-UHFFFAOYSA-N;130.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157676;MM157676;CNCC(O)C=NNC;XJZPDKLTIJWULN-UHFFFAOYSA-N;131.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157677;MM157677;NNC(=O)CC1CO1;HDGLNDTZBMRFLN-UHFFFAOYSA-N;116.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157678;MM157678;C=NOC(=N)NNC=O;DNFOPDGMYIYCDS-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157679;MM157679;CCC=CC(C)NCC;VCQVYDUSWOKUIR-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157680;MM157680;CCNC(C)C=CCN;FJUXEOHKWPUVRO-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157681;MM157681;CCNC(C)C=CCO;SGYUGKLNKMCPTM-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157682;MM157682;CCNC(C)C=CCF;GZVRHYBWXNIZAQ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157683;MM157683;CCNC(C)C=COC;SGNHBKIALOCCIV-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157684;MM157684;CCNC(C)C=NOC;WAXAAGBUURVBDA-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157685;MM157685;CCOC(C)C=COC;QISHMTKDYWHXNC-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157686;MM157686;CCN=CN(C)CCN;ZPKPVPHJBZDYIP-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157687;MM157687;CCN=CN(C)CCF;SZPFYYKSYOHNQR-UHFFFAOYSA-N;132.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157688;MM157688;CCN=CN(N)CCO;AJXFSDKYKVEBGI-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157689;MM157689;CCCN(C)C=NNC;IBMJLWQSGQJYDM-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157690;MM157690;CNN=CN(C)CCN;HXFDDDCYYAKUPE-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157691;MM157691;NN=C(NO)C(O)CF;MATATVUIRCHOOR-UHFFFAOYSA-N;137.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157692;MM157692;CC(O)(C=NN)C(O)CF;IIEBFTCTTHEEDC-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157693;MM157693;CC(=O)NNC(C)C(C)=O;YVHDFOZKRLFGLN-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157694;MM157694;CON=CN(N)CCF;NNZJBLYTTPWSEO-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157695;MM157695;NN=CC(O)C(F)C(N)=O;AGVDGJFVKGDGCB-UHFFFAOYSA-N;149.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157696;MM157696;CCC=NN(C)CCC;WAISSEFPVUSNAH-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157697;MM157697;CN(C=N)N=CC(O)C=O;DSFIXCSVDDEICR-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157698;MM157698;CCC(C=O)NNC(C)=O;DHVGZKKZQJJDMW-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157699;MM157699;CCCN(C)N=COC;FUHWFNWCOIPNKD-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157700;MM157700;CCC(C)N(C)C(C)=NO;INRPBHNDYFTSOX-UHFFFAOYSA-N;144.22;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157701;MM157701;CCCC(C)C=CC=O;QILLPUWBJYLQNW-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157702;MM157702;CCCC(C)C=CC#N;MHGQCSFMAYEPPE-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157703;MM157703;C=CC=CC(C)CCN;PHOVWUFWMPJCLO-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157704;MM157704;CCC#CC(O)C=NOC;GDJCRHHDWBASBM-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157705;MM157705;CCC(O)C(=O)ON=CN;JRJUPCKSWDIOHS-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157706;MM157706;NN=COC=CC(=O)NN;YSIJQBIFFJKMAU-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157707;MM157707;CC(C=CC=O)CCF;VLLLLVDPISZLSG-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157708;MM157708;CC(C=CC#N)CCF;PGQKTGXHAHCWCM-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157709;MM157709;C=CC=CC(N)CCC;UDNQIQXBUFCLER-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157710;MM157710;C=CC=CC(N)CCF;OOCGCGWCOKJONO-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157711;MM157711;CCCC(=NN)C(=O)NN;NOQKTVAPLZRPBJ-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157712;MM157712;CCCC(O)C=CC=O;AAIBHIYBGXKHAG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157713;MM157713;CCCC(O)C=CC#N;VFDNDNKFULFTJO-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157714;MM157714;N#CC=CC(O)CCO;VMLAKMSJWBMFKF-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157715;MM157715;CCCC(F)C=CC=O;FEJMQSKFBXNGPO-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157716;MM157716;C=CC=CC(F)CCN;DPQJWSNLXRDIIT-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157717;MM157717;N#CC=CC(F)CCO;WLYRZWRWRFQXJL-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157718;MM157718;O=CC=CC(F)CCF;MWAOPSXCIXZPFQ-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157719;MM157719;CNCC(C)C=CC=O;XILLJCHAISFRGI-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157720;MM157720;CNCC(C)C=CC#N;BLYUZTGBTLUFAD-UHFFFAOYSA-N;124.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157721;MM157721;C=CC=CC(N)CNC;LBYHDJYZMVBGAK-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157722;MM157722;CNCC(O)C=CC=O;RYRXWKLYKRBZBI-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157723;MM157723;CNCC(O)C=CC#N;VARYDPPXXWYLNF-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157724;MM157724;C=CC=CC(C)COC;VNPPTMQFMNRYCW-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157725;MM157725;COCC(C)C=CC#N;PILLHNXLUZKXKI-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157726;MM157726;COCC(O)C=CC#N;CCBHGSGYCKBRMZ-UHFFFAOYSA-N;127.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157727;MM157727;C=NN=CC(C)CCC;SQKGKIITBZOTKW-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157728;MM157728;C=NN=CC(C)CCN;SNPALRTZHYAWED-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157729;MM157729;C=NN=CC(C)CCF;LVNODDUMIWQVEP-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157730;MM157730;C=NN=CC(F)CCN;FOYCDTYWQOASDE-UHFFFAOYSA-N;131.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157731;MM157731;C=NN=CC(F)CCF;WFJKWPPDXCGXMV-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157732;MM157732;C=CC=CC(C)NCC;JDROTAJWNRRZMB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157733;MM157733;CCOC(C)C=CC=O;RSXAWAREKATTOD-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157734;MM157734;CCCN(C)C=CC=O;RFPSQDCXHXVNOG-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157735;MM157735;CCCN(C)C=CC#N;OTICQFBADZDATP-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157736;MM157736;NNC(=NO)N(N)CCO;ABRKFQHZDWAUMB-UHFFFAOYSA-N;149.15;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157737;MM157737;CCCN(C)C=NC=N;PEPNANBNJZICLH-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157738;MM157738;C=CCc1nc(OC)c[nH]1;YTOJTHNPQSAAJG-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157739;MM157739;O=CNNCC=CC=CF;MPFKJHWEUWLBFZ-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157740;MM157740;CNN=CC(O)C=O;NUCHPLJGGKFZFA-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157741;MM157741;O=CN=CN(O)CCO;KKFGSARTZJDYDM-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157742;MM157742;C=NN=CN(C)CCC;MFDKHFSLSQTETP-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157743;MM157743;CNNC(=O)N1CC1;HSZPYBVHQSSJLZ-UHFFFAOYSA-N;115.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157744;MM157744;CC(O)CNNC(N)=O;GWOKSGQTMKOHFT-UHFFFAOYSA-N;133.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157745;MM157745;CN(C)N=CC(O)C=O;TZHOHIWVVUHKJM-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157746;MM157746;CCON(C)C=NC=N;NRDKKZPAENWNHL-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157747;MM157747;C=CC=NN(C)CCC;KRXPSYFFHOSTDP-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157748;MM157748;COCCNNC(N)=O;HBSDRBIISCTWMY-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157749;MM157749;CN(CCO)N=CC#N;AVFOIVSSQLUHMV-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157750;MM157750;C=CC=NN(C)CCF;ZVOXDOPNUSUMKF-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157751;MM157751;C#CC=CC(C)CCC;IFQWUJXYJMVPIC-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157752;MM157752;C#CC=CC(C)CCN;PCURJBJHHZDZCC-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157753;MM157753;C#CC=CC(N)CCC;VSOKRKHXTAPLDF-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157754;MM157754;C#CC=CC(N)CCN;AQAJJVPYQFUDLB-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157755;MM157755;C#CC=CC(N)CCF;MOZXTKCIFOZZKM-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157756;MM157756;CC#CC(O)C=NOC;QBBPFZNIWZHWPS-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157757;MM157757;C#CC=CC(F)CCC;DBWGSQZGQBWIDX-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157758;MM157758;C#CC=CC(F)CCN;FHDHEKQQBMKWQO-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157759;MM157759;C#CC=CC(C)CNC;SNHFWGAMVKHGOL-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157760;MM157760;C#CC=CC(N)COC;MZKBQALYOYOMPV-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157761;MM157761;C#CC=CC(O)COC;XZJZOSWPEYFLBV-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157762;MM157762;C#CC=CC(C)NCC;LBRALUZTTLSLMT-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157763;MM157763;C#CC=NN(C)CCC;IIICUFYEZCMWGZ-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157764;MM157764;C=CCC(C)C=CCC;CFZRYCRTZUKXED-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157765;MM157765;C=CCC(C)C=CCN;QISKBMJCQGPASW-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157766;MM157766;C=CCC(C)C=CCF;GFQSKPDHJFHTEO-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157767;MM157767;CCC=CC(C)CC=O;VYHBACUSPDJUFF-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157768;MM157768;CCC=CC(C)CC#N;LIRBRXRSEUIJQU-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157769;MM157769;CC(C=CCO)CC=O;CGMKZNPHSLGXJP-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157770;MM157770;CC(C=CCO)CC#N;VLHKIMAGJBLVGW-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157771;MM157771;CC(C=CCF)CC#N;PGVQXAHHJHXYRF-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157772;MM157772;C=CCC(N)C=CCC;HGYDSHCLDJCFPH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157773;MM157773;C=CCC(N)C=CCF;VHEPVLSKGQZXOI-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157774;MM157774;CCNN=CC(O)C=O;XANMMFWETZKHRI-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157775;MM157775;C=CCC(O)C=CCF;PUVLKWJUHBXYJW-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157776;MM157776;CCC=CC(O)CC#N;VYPBQOZEAJCCRS-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157777;MM157777;N#CCC(O)C=CCO;AKRLBZMTSOHDCH-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157778;MM157778;C=CCC(F)C=CCC;FCSVQWWISWXCMN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157779;MM157779;C=CCC(F)C=CCN;CSYUMAGUYFFFFW-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157780;MM157780;C=CCC(F)C=CCO;BTLGEEJVVMMTKN-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157781;MM157781;CCC=CC(F)CC=O;SWWDLHWOPPIYER-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157782;MM157782;N#CCC(F)C=CCF;KHJWYSPHKBNEOS-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157783;MM157783;C=CCC(C)C=COC;VRVIJGFYTKJIFW-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157784;MM157784;COC=CC(C)CC#N;KQOCIJIEOAXMAU-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157785;MM157785;C=CCC(O)C=COC;VTSNUBNNJORAKM-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157786;MM157786;COC=CC(F)CC#N;NBIIOGXFLNQUHN-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157787;MM157787;C=CCC(C)C=NNC;ZEPUEMXYUWSIDH-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157788;MM157788;C=CCC(F)C=NNC;AHVDZNMRVZPBAR-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157789;MM157789;C=CCC(C)C=NOC;WUCJEJGSIVAQOO-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157790;MM157790;O=CC(O)C=NN1CC1;GNZRHRSUFNIBRG-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157791;MM157791;CON=CC(C)CC#N;CGRTUUBADSSRPQ-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157792;MM157792;C=CCC(N)C=NOC;ZQMATZLTVWOTLG-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157793;MM157793;C=NNCC(C)(O)C(N)=O;YZDUSKVIPDOGAO-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157794;MM157794;NN=CN(N)CC(=O)NN;UORPHWQHBJKQNY-UHFFFAOYSA-N;146.15;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157795;MM157795;CCC=CC(C)NC=N;HBSNGBONKWSJJA-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157796;MM157796;CC(C=CCO)NC=N;BSWCIFJEZGLGGC-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157797;MM157797;CC(C=CCN)NC=O;SNGHPAJWJIDNOI-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157798;MM157798;CC(C=CCO)NC=O;HRDYLFGEJPOBLY-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157799;MM157799;C=NNC(C)C=CCC;VHPYZBLYQHOKAN-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157800;MM157800;C=NNC(C)C=NNC;DLHWOIHMAYKTJP-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157801;MM157801;CCC=CC(C)OC=O;WRKYECHOUVUMFA-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157802;MM157802;CC(C=CCF)OC=O;NEZQQOSLPKLNGZ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157803;MM157803;CNNC(=O)C=C(N)CF;WDVPQLDIXCTYTJ-UHFFFAOYSA-N;147.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157804;MM157804;C=NOC(C)C=COC;WTPNTAKHYNGSLS-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157805;MM157805;C=COC(C)C=NNC;SEEORDZLEWTNBI-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157806;MM157806;CNN=CC(C)OC=O;IMAMHQICJBKPKG-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157807;MM157807;C=COC(C)C=NOC;ZLSTULCMUNCMIZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157808;MM157808;C=CCN(C)C=NCC;MROPNTCGQRKIGL-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157809;MM157809;CCN=CN(C)CC#N;OFXGMBDFVAQBOR-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157810;MM157810;CN(NC(N)=O)C1(C)CC1;VYFLGVBVAJJHKD-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157811;MM157811;C#CC1(O)CC(=O)N(N)C1;ABIGZZCIKJJXIE-UHFFFAOYSA-N;140.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157812;MM157812;NC(=O)NNCC=CCO;OWGNKTMOLBOALJ-UHFFFAOYSA-N;145.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157813;MM157813;CNN=CN(C)NC=N;IAAJCMOYDWZARF-UHFFFAOYSA-N;129.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157814;MM157814;C=C(C)C#CCNNC=O;VFTBRBVCUZFWEK-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157815;MM157815;CNNC(=O)C=CNC=O;IOISSQRVRVYVJZ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157816;MM157816;CON=CN(C)OC=O;XSWCLKLDFMTANO-UHFFFAOYSA-N;132.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157817;MM157817;CC#CC(O)C=NOCC;KAORSAHQDNSUAG-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157818;MM157818;Cc1nc(CC#N)[nH]c1C;YUOCOPODRHHPDO-UHFFFAOYSA-N;135.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157819;MM157819;C=CCN(C)N=COC;LGOWNRREWIIJPM-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157820;MM157820;C=CC=CC(C)CC=C;YYTCYQWSJXSDCZ-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157821;MM157821;C=CCC(C)C=CC=O;ULAFRPYJIQIRQJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157822;MM157822;C=CCC(C)C=CC#N;QLLQBFRAESYRSG-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157823;MM157823;C=CC=CC(C)CC#N;WJWAEYSRKOUVME-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157824;MM157824;CC(C=CC=O)CC=O;BTFPXSBKXWEFKO-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157825;MM157825;CC(C=CC=O)CC#N;RIWYRMCYPYDNSI-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157826;MM157826;CC(C=CC#N)CC=O;GAXPRZIYYXKYGE-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157827;MM157827;C=CC=CC(N)CC=C;ATFVKKOSORLVSX-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157828;MM157828;COC(C)=CNC(=O)NN;UQSZGDYJZVOIIN-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157829;MM157829;C=CCC(O)C=CC#N;GTELGZKOTUAHDW-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157830;MM157830;O=CC=CC(O)CC=O;QSNXGMDUHUISMN-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157831;MM157831;N#CC=CC(O)CC=O;OYUXITNZXLYCFE-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157832;MM157832;C=CC=CC(F)CC=C;NGIGNVCDXSZMMC-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157833;MM157833;C=CCC(F)C=CC=O;UMWTZQWFHABEID-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157834;MM157834;C=CCC(F)C=CC#N;WTOPFDBFRDPRMJ-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157835;MM157835;C=CC=CC(F)CC=O;RXUMNDRNZIIOFV-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157836;MM157836;C=CC=CC(F)CC#N;MRRNVYDSNXSYTJ-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157837;MM157837;N#CCC(F)C=CC=O;IDZHBRUNPLKXJS-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157838;MM157838;C=CCC(C)C=NN=C;ZDRIGQQRGVPEKF-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157839;MM157839;CC#CCNNC(=O)CC;YIERSJNUPANRDF-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157840;MM157840;C=NN=CC(C)CC#N;HFAQSCQHHAMWOJ-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157841;MM157841;C=CCC(F)C=NN=C;PZEXTAOSEGNFNG-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157842;MM157842;CC(C=CC#N)NC=N;RLFKMMAZXFRVGX-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157843;MM157843;O=CC(O)C=NNCCF;BRGOCRBWYRBWKD-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157844;MM157844;CC(C=CC#N)NC=O;BEKLUGRTEBMTOI-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157845;MM157845;C=CC=CC(C)NN=C;YYVXGZCQAULCRX-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157846;MM157846;C=NN=CC(C)NN=C;ITLQHFUNPNCKDM-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157847;MM157847;C=CC=CC(C)OC=C;WZGGADUVRMOIPV-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157848;MM157848;C=CC=CC(C)OC=O;BGGNFSFUZPYDBC-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157849;MM157849;CC(C=CC#N)OC=O;LFYNXAKJJRLGGO-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157850;MM157850;C=CC=CC(C)ON=C;ZYKYDAMZSHCCJB-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157851;MM157851;C=NOC(C)C=CC=O;IRMPWZGRMCULLX-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157852;MM157852;C=NOC(C)C=CC#N;HIBNHRSNWBPVSI-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157853;MM157853;C=NN=CC(C)OC=O;YOAVHZZBROYECP-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157854;MM157854;C=NN=CC(C)ON=C;NRDHBRWQCNIZHH-UHFFFAOYSA-N;127.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157855;MM157855;C=CCN(C)C=CC=O;XOWTWGIPWIJZPK-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157856;MM157856;C=CCN(C)C=CC#N;AQCUNXIQJBJMAA-UHFFFAOYSA-N;122.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157857;MM157857;CN(C=CC#N)CC#N;RQAQULCLHHFMSO-UHFFFAOYSA-N;121.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157858;MM157858;C=CCNN=CC(O)C=O;XHEXEKOADTYDQD-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157859;MM157859;O=CCN(O)C=NC=O;UQNYFCNASCZVGW-UHFFFAOYSA-N;130.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157860;MM157860;C=CCN(C)C=NN=C;PXXIPPSFZDPJNM-UHFFFAOYSA-N;125.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157861;MM157861;C=CCN(N)C=NN=C;NACAWUDBGVYIIM-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157862;MM157862;CN(C=NC=N)NC=N;QBZDAAWXCYBIIO-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157863;MM157863;CN(C=NC=O)NC=N;JXCAVEVZCVAICT-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157864;MM157864;CCN(C)C(C=CN)=NO;GBTYHXSBUWOUKC-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157865;MM157865;C=NN(C)C(C#N)C(C)=O;GQQZMVXHYLLEGB-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157866;MM157866;C=NN=CN(C)NC=N;OVGHERPJXXGAPH-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157867;MM157867;C=CCc1c[nH]c(C=C)n1;QMMUVMUOOFALFU-UHFFFAOYSA-N;134.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157868;MM157868;CN(C=NC=O)OC=O;IZHGFEGUXMOAKI-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157869;MM157869;C=CC=NN(C)CC=C;NCSPGKBNXXGXOR-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157870;MM157870;C=CCN(C)N=CC#N;ILLNGIMBTRKOSL-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157871;MM157871;C#Cc1cc(CC#N)[nH]n1;DERNEDPFLNMOMQ-UHFFFAOYSA-N;131.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157872;MM157872;CN(CC#N)N=CC=O;UJYVNWUJHYGCBH-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157873;MM157873;C#CC=CC(C)CC#N;UEMMQYGRAGJPIZ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157874;MM157874;C#CC=CC(N)CC=C;ZKZGIUBEHJPCRM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157875;MM157875;C#CCOCCNNC=O;TXILLAUXSPZCAQ-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157876;MM157876;C#CC=CC(O)CC#N;OCKKSTRMFTUBBZ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157877;MM157877;C#CC=CC(F)CC=C;GCHDVLKDBUUADM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157878;MM157878;C#CC=CC(F)CC=O;JQHSJNCEJDMCDT-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157879;MM157879;C#CC=CC(F)CC#N;PDZZPVWHLKLLAE-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157880;MM157880;C#CC=CC(C)NC=O;SAXWBOZQRWXEMG-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157881;MM157881;C#CC=CC(C)NN=C;VDRWVEUESVRWGW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157882;MM157882;C#CC=CC(C)OC=C;XFCVIONIOAEFPF-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157883;MM157883;C#CC=CC(C)OC=O;VREBMWJLDQOLTE-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157884;MM157884;C#CC=CC(C)ON=C;ZJGREAVAGAFJOL-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157885;MM157885;C#CCC(C)C=CCC;QJUOHRKLHQVJLJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157886;MM157886;C#CCC(C)C=CCN;UISYWMFSDGGFQT-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157887;MM157887;C#CCC(C)C=CCO;AWLHRWLSYWEZBH-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157888;MM157888;C#CCC(C)C=CCF;FXJGTFPUMYSCSP-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157889;MM157889;C#CCC(N)C=CCF;IRVOREDQLJIYDL-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157890;MM157890;C#CCC(O)C=CCF;UXWTYKRDAUNLFV-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157891;MM157891;C#CCC(F)C=CCC;PIYXEGYUKWFULU-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157892;MM157892;C#CCC(F)C=CCO;JMRXKMJXZMSPQM-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157893;MM157893;C#CCC(C)C=COC;SMGGLOFAZTVSTC-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157894;MM157894;C#CCC(C)C=NNC;CULINWLUFXKXSE-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157895;MM157895;C=NOCC#CC#CCO;FIEDRDSKYDEKOZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157896;MM157896;C#CCN(C)C=NCC;ALZQECICDSQUQW-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157897;MM157897;CC(F)CNNC=O;JQUPBVJOXQJYJM-UHFFFAOYSA-N;120.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157898;MM157898;CNNC(=O)NCCO;AUEGNGGYALAPGR-UHFFFAOYSA-N;133.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157899;MM157899;C#CCN(C)N=CCC;CFTGASZFYNRWNY-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157900;MM157900;N#CCc1nc(N)c[nH]1;IIQFRIMDMCKLMM-UHFFFAOYSA-N;122.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157901;MM157901;C#CCC(C)C=CC=C;CYSUTNPEKHRYEV-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157902;MM157902;C#CCC(C)C=CC=O;CYRUHEUAZFGHRB-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157903;MM157903;C#CCC(N)C=CC=C;GGKFOYDICNERCH-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157904;MM157904;C#CCC(O)C=CC#N;FFECFBPJXVWFJC-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157905;MM157905;C#CCC(F)C=CC=C;QBBMFONXOWXYSC-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157906;MM157906;C#CCC(F)C=CC=O;YPHICDZRBBCHPW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157907;MM157907;C#CCC(C)C=NN=C;JZCWZBCFCYNTDY-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157908;MM157908;C#CCN(N)C=NC=N;YNTPBDCYNPURDN-UHFFFAOYSA-N;124.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157909;MM157909;CC(F)(CF)C(O)C=NN;AFBZCUCXGIVHIU-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157910;MM157910;C#CCN(C)N=CC=C;MHXLXCKORHCROK-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157911;MM157911;C#CC=CC(C)CC#C;HXWLZJAEPUKMJV-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157912;MM157912;C#CC=CC(N)CC#C;YMKLPCJOUVBUOT-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157913;MM157913;CC(=O)N(C)CC(=O)NN;YRPVXFJYPHIOLB-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157914;MM157914;C#CC=CC(F)CC#C;HWZLJHBGNGUPTA-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157915;MM157915;C=C(C=CCC)CCC;BBKVFRQYFQEOTO-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157916;MM157916;C=C(C=CCN)CCC;BNJNDBITPZMZKG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157917;MM157917;C=C(C=CCC)CCN;BEUJRZGZRBMDQB-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157918;MM157918;C=C(C=CCF)CCN;HZOLOPIIXXNSJP-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157919;MM157919;C=C(C=CCN)CCF;ZNXORBYJAYFIDS-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157920;MM157920;CCC=CC(=O)CCC;SEVSRVAJBFYTEX-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157921;MM157921;CCCC(=O)C=CCF;RBAZRTQUDLDPIX-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157922;MM157922;CCC=CC(=O)CCO;BJSPFMCCJKQYDL-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157923;MM157923;O=C(C=CCF)CCF;RXTSIODXURKHEU-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157924;MM157924;C=C(C=COC)CCC;NUVDGDKTKIAEOF-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157925;MM157925;CCCC(=O)C=COC;GSBMMEXTNHACMS-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157926;MM157926;C=C(C=CCC)CNC;IKRXFLOUGSPEJC-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157927;MM157927;C=C(C=CCF)CNC;VPYJEXNKBQXXQR-UHFFFAOYSA-N;129.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157928;MM157928;CCC=CC(=O)CNC;XDKKLOGDCMCUAF-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157929;MM157929;CNCC(=O)C=CCF;ZLVBFDCEFOJRJY-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157930;MM157930;COC=CC(=O)COC;JXSPQMNGVWFMEB-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157931;MM157931;C=C(C=NNC)CCC;HXWVSPLJODBHBG-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157932;MM157932;C=C(C=NNC)CCN;WGKJVTICOLTECQ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157933;MM157933;C=C(C=NNC)CCF;UZMOSRZOGHSHAG-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157934;MM157934;C=C(NC(=O)NN)C(C)O;XFJXCVZWJVJTGQ-UHFFFAOYSA-N;145.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157935;MM157935;CNNC(=O)NCC=NN;QFGXVCQXDXIMFP-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157936;MM157936;CN(C)C(=O)NNCCO;OOXDRHZXNOJMTD-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157937;MM157937;C=C(C=NOC)CCC;SNXXFEZOERRPDP-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157938;MM157938;C=C(C=NOC)CNC;OUXPNYMEYZPZCR-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157939;MM157939;C=C(C=NNC)COC;GULBOMHTLAGQPT-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157940;MM157940;CCC=CC(=N)NCC;PBODGDWTBOTITH-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157941;MM157941;CCNC(=N)C=CCN;QMDMNPPZVUHKKF-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157942;MM157942;CC(CO)(CO)C(=O)NN;RXDPQJAUBBZLJJ-UHFFFAOYSA-N;148.16;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157943;MM157943;C#CC(=C)CNC(=O)NN;GTXFYLQOBQXNHX-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157944;MM157944;CCNC(=N)C=CNC;VCQDHPCYSJIYBE-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157945;MM157945;CNNC(=O)C=CCN;PFCLULSVFBFXOJ-UHFFFAOYSA-N;129.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157946;MM157946;C=CC(CF)NC(=O)NN;PBGMYDHZKYRROV-UHFFFAOYSA-N;147.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157947;MM157947;CNN(C)C(=O)OCC=O;GLXGBRUMYYKFJR-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157948;MM157948;CCOC=CNC(=O)NN;CVEHUSSUIWETNZ-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157949;MM157949;CNC(C=NN)C(=O)NN;YSVKZYFBMMGCNE-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157950;MM157950;CCC=CC(=O)NOC;VGHMTJXMOQVFIU-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157951;MM157951;CNC=CC(=O)NOC;ZMLWSJWISPENLB-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157952;MM157952;COC=CC(=O)NOC;GVYIKVYOJHMNHU-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157953;MM157953;C=NOC(=NN)NNC=O;JSYBSINSLIRVOG-UHFFFAOYSA-N;145.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157954;MM157954;C=CCC#CC(C#N)=NO;MZLRJJCUKKYVJE-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157955;MM157955;C=C(C=CCN)OCC;LDGODTJYUUUDIP-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157956;MM157956;CCOC(=O)C=CCN;NKUGJYBGZTYNFY-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157957;MM157957;CCOC(=O)C=COC;UNONUCVWBGLFIO-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157958;MM157958;C=C(C=NNC)OCC;DNHSQMYQGLGPNM-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157959;MM157959;C=C(C=NOC)OCC;GIBWUSNBENHJIV-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157960;MM157960;C=CC=CC(=C)CCC;ARAZXALDGLETRO-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157961;MM157961;C=C(C=CC=O)CCC;MYOJNLMWMVAJEJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157962;MM157962;C=C(C=CC#N)CCC;KCOFWPGQFANPDX-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157963;MM157963;C=CC=CC(=C)CCN;KGKOQVVYRXRFHH-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157964;MM157964;C=C(C=CC=O)CCF;WZOGTEIKSCRBHX-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157965;MM157965;C=C(C=CC#N)CCF;RXQDLJLFWATRRD-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157966;MM157966;C=CC=CC(=O)CCC;DWXYESOTAHVYEC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157967;MM157967;CCCC(=O)C=CC=O;GLRVVKVYRCSDLF-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157968;MM157968;C=CC=CC(=O)CCF;GYILEWOTSJEGQR-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157969;MM157969;N#CC=CC(=O)CCF;PXXOJVBQADEOMI-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157970;MM157970;C=CC=CC(=C)CNC;ROJZVXOEHQGBRI-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157971;MM157971;C=C(C=CC#N)CNC;KLDUDXKOCAMLLF-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157972;MM157972;C=NN=CC(=C)CCC;KMTXXKOWVMLTOH-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157973;MM157973;C=NN=CC(=C)CCN;ZQLSGSNNOFGLMH-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157974;MM157974;C#CC(=NN)C(O)C=NN;HRBLMICEVWLWBY-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157975;MM157975;C=NN=CC(=C)CCF;ZPYTWVVTFRJPAL-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157976;MM157976;C=NN=CC(=O)CCC;MNQRYCWERJSUEQ-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157977;MM157977;C=NN=CC(=O)CCF;VIDHNGXCWJYLAP-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157978;MM157978;C=NN=CC(=O)COC;ADKYOQPHPMNYMN-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157979;MM157979;CNc1c[nH]c(CC#N)n1;BGYRDZHFAGWCBZ-UHFFFAOYSA-N;136.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157980;MM157980;CCNC(=O)C=CC#N;VETQVBKZDLEIQP-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157981;MM157981;CNN=C(N)C=CC=O;NJIVPPQPIBHYAB-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157982;MM157982;CON=C(N)C=CC=O;RULVAECWRWTZTN-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157983;MM157983;CONC(=O)C=CC=O;MZBXODOFTBEBLE-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157984;MM157984;CC=CC#CCNNC=O;BGMBUHBEMJOYIH-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157985;MM157985;C=C(C=CC#N)OCC;WAMTWPDHQIIEDU-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157986;MM157986;C=NN=CC(=O)OCC;LSHNTQHLYMSRPF-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157987;MM157987;C#CC=CC(=C)CCC;VHRVUJKATXEAPC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157988;MM157988;C#CC=CC(=C)CCN;OWUDMGWWAZJGRE-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157989;MM157989;C=CC1=NN=C(NN)NO1;HQCZGHKSCKMVMA-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157990;MM157990;C#CC=CC(=O)CCC;WRLRNZKSFCGOON-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157991;MM157991;C#CC=CC(=O)CCO;MDSDPBPUGRLYRR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157992;MM157992;C#CC=CC(=C)CNC;PUTJISVWHPWMJB-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157993;MM157993;C#CC=CC(=O)COC;WMZAKFXMMCQFDT-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157994;MM157994;Nc1[nH]ncc1F;ORLRTNMBWQIKSI-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157995;MM157995;C#CC=CC(=O)NOC;YCRDFDZELNIEKB-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157996;MM157996;C=CCC(=C)C=CCC;GFSIXQJTOORZBV-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157997;MM157997;C=CCC(=C)C=CCN;PGHSMZGIKYGCFH-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157998;MM157998;C=CCC(=C)C=CCO;WGXFBWCEKXFOCP-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM157999;MM157999;C=CCC(=C)C=CCF;VOVMFRQQRUJMLI-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158000;MM158000;C=C(C=CCC)CC#N;WPSSUQUQDBNRGH-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158001;MM158001;C=C(C=CCO)CC#N;BILNBMKBXZTIPN-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158002;MM158002;C=C(C=CCF)CC=O;YHWAXLPZZDLFEI-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158003;MM158003;C=C(C=CCF)CC#N;UEFLWMGZWWSKOS-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158004;MM158004;C=CCC(=O)C=CCO;HSRSRVVYLIBQGY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158005;MM158005;C=CCC(=O)C=CCF;WDSAZVJUAUAPSF-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158006;MM158006;C=CCC(=C)C=COC;PKMMLXUISISUNI-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158007;MM158007;C=C(C=COC)CC=O;VGMHWXAAWXUPKN-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158008;MM158008;C=CCC(=O)C=COC;KVDFVCAQWUVDMZ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158009;MM158009;C=CCC(=C)C=NNC;GJIIQTZNJPKQLS-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158010;MM158010;CON=CC(=O)CC#N;FRCJQONHQYPFAC-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158011;MM158011;C=C(C=CCO)NC=N;UKHXRXBSSLGOHV-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158012;MM158012;C=CNC(=N)C=CCO;FRTOMJMXHWTMEZ-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158013;MM158013;CCC=CC(=N)NC=N;RUJOSMQSLGEVPI-UHFFFAOYSA-N;125.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158014;MM158014;N=CNC(=N)C=CCN;AIBZKLSVMLBBBX-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158015;MM158015;C#CC(C)C(=O)NN;YFKYXTJGAYCQAB-UHFFFAOYSA-N;112.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158016;MM158016;C=CNC(=O)C=CCO;MUBSVWCDPSMVLZ-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158017;MM158017;N=CNC(=O)C=CCN;LWKCCVRLHJDOCF-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158018;MM158018;CC(=NO)NC(C)(C)C;PBTUHNQTRHRYFK-UHFFFAOYSA-N;130.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158019;MM158019;O=CNC(=O)C=CCO;CMTXFCKEMBSWHD-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158020;MM158020;C=CNC(=O)C=CNC;GWULAUPTUAUIMR-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158021;MM158021;CNC=CC(=O)NC=O;HAQTXQJDERLDHB-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158022;MM158022;Cn1cc(CO)nc1O;NUOTUWXUYVGTBL-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158023;MM158023;Cn1cc(CF)nc1O;HFYKWBXXTDNYBN-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158024;MM158024;C=CNC(=N)C=NNC;CANRWCFZHYFBFV-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158025;MM158025;Cn1cc(O)c(=NN)o1;UQHCLBJEOMNLMG-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158026;MM158026;CNN=CC(=O)NC=O;CPSLQWISOHFHMO-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158027;MM158027;CON=CC(=N)NC=O;WLKRLXLHMVDRFH-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158028;MM158028;C=COC(=O)C=CCO;WPAXJWBWARBUEH-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158029;MM158029;C=COC(=C)C=COC;NEZJWGHMQCXCSW-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158030;MM158030;C=COC(=O)C=COC;HJUHMRNXXDSJIK-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158031;MM158031;CNNC(=O)C1CN1C;GHLSGZRBPUUPSI-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158032;MM158032;C=COC(=C)C=NNC;UDGRONWEIMDVNV-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158033;MM158033;C=COC(=C)C=NOC;PJERIUABLGZASS-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158034;MM158034;C=CC=CC(=C)CC=C;LNNUJWQDBZLSEZ-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158035;MM158035;C=CCC(=C)C=CC=O;DEYXCEKMVYWZNY-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158036;MM158036;C=CCC(=C)C=CC#N;HHHWDYSJTBYIFY-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158037;MM158037;C=CC=CC(=C)CC=O;JPSRGBHQRLFFNX-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158038;MM158038;C=CC=CC(=C)CC#N;QHJHOIMSRPDERI-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158039;MM158039;C=C(C=CC=O)CC=O;DXAFVKXTHASWJX-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158040;MM158040;C=CC=CC(=O)CC=C;DNLFHBNNEIYRCS-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158041;MM158041;C=CCC(=O)C=CC=O;OGWFMUABSQLUCF-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158042;MM158042;N#CCC(=O)C=CC=O;ROWMAWFOYCPWFV-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158043;MM158043;C=CCC(=C)C=NN=C;HKKVTCKCBHRDOZ-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158044;MM158044;C=CCC(=O)C=NN=C;JYRTVRSPDAYDQM-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158045;MM158045;C=NN=CC(=O)CC#N;JONSXEDIWAKIHH-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158046;MM158046;C=C(C=CC#N)NC=N;FTJZTWCYEONDLQ-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158047;MM158047;C=CC=CC(=N)NC=C;XBPWIOKGDWXBGH-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158048;MM158048;C=CNC(=N)C=CC=O;AUMPFHLPYXASGG-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158049;MM158049;C=CNC(=N)C=CC#N;HOVLRLWPDYJAMT-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158050;MM158050;CNC=CC(=NO)NC;MLHCYZCIWYFGOK-UHFFFAOYSA-N;129.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158051;MM158051;OCC#CC#CC1CN1;DTVZAAGOQKJYPU-UHFFFAOYSA-N;121.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158052;MM158052;CC(F)=CC(C)NNC=O;QZQBQYUHGMAZIW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158053;MM158053;C=C(COC)NC(=O)NN;YQYVVTMKJVCGFH-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158054;MM158054;CON=C(C)CC(=O)NN;DRBQZJVOBMQINB-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158055;MM158055;C=CC=CC(=C)OC=C;QRQHTXIXGFIXPQ-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158056;MM158056;C=COC(=C)C=CC=O;XQDGJZPZGHNFHY-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158057;MM158057;C=COC(=C)C=CC#N;XRCHPFNYDVAXML-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158058;MM158058;C=C(C=CC=O)OC=O;LSSOYQSMFFGXBN-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158059;MM158059;C=C(C=CC#N)OC=O;UWLKYYJNUJOLAS-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158060;MM158060;C=CC=CC(=O)OC=C;ROVYORAUNHBJLG-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158061;MM158061;C=COC(=O)C=CC=O;TTZXDDDMPBPGCR-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158062;MM158062;C=COC(=O)C=CC#N;VRQURWSBPHGFJN-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158063;MM158063;C=NN=CC(=C)OC=O;LOBWGARCFGENCO-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158064;MM158064;C=COC(=O)C=NN=C;CCCRFZQYVKJVQT-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158065;MM158065;C#CC=CC(=C)CC=C;IXXQQIPFJMJFLW-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158066;MM158066;C#CC=CC(=C)CC=O;TWLGYAUHJZWCBQ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158067;MM158067;C#CC=CC(=C)CC#N;OPEKORQVKMWLEN-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158068;MM158068;C#CC=CC(=O)CC=C;YTUXYSBHRAEIPQ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158069;MM158069;C#CC=CC(=C)NC=N;GHVAVNINCCDUCW-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158070;MM158070;C#CC=CC(=C)OC=C;RLYSVXNVBLJRFS-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158071;MM158071;C#CC=CC(=C)OC=O;JFTYWBRNVWHJJP-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158072;MM158072;C#CC=CC(=O)OC=C;UFINCWJUELSGFW-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158073;MM158073;C#CC=CC(=O)ON=C;WFTFPLRLMRIPJC-UHFFFAOYSA-N;123.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158074;MM158074;C#CCC(=C)C=CCC;MMTNYIHUPYIKGZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158075;MM158075;C#CCC(=C)C=CCN;RXDMXUWHTKFNQV-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158076;MM158076;C#CCC(=C)C=CCO;QJLBUBUSQADVSR-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158077;MM158077;C#CCC(=C)C=CCF;ZMESQMKZASGOCA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158078;MM158078;C#CCC(=O)C=CCC;VCYBLCALRDACRD-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158079;MM158079;C#CCC(=O)C=CCO;SNKBDXBAPHEPKT-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158080;MM158080;C#CCC(=O)C=CCF;HCZYESILAQWOTC-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158081;MM158081;C#CCC(=O)C=CNC;DLUFJYUPVODHPP-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158082;MM158082;C#CCC(=C)C=COC;QHKNRJOXMKQYLL-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158083;MM158083;C#CCC(=C)C=NNC;ADSOCLKLLRGXCH-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158084;MM158084;C#CCC(=C)C=NOC;AULAPCHUSGYSOY-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158085;MM158085;C#CC=CCNNC(C)=O;JVVUXQQFWYBNJS-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158086;MM158086;C#CCC(=C)C=CC=C;QTVNSCHVINBQRW-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158087;MM158087;C#CCC(=C)C=CC=O;UJEIVQUGZBWVSW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158088;MM158088;C#CCC(=C)C=CC#N;FBPLCIDNSYQMPB-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158089;MM158089;C#CCC(=C)C=NN=C;XKGSLQFBZPDKDZ-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158090;MM158090;C#CC=CC(=C)CC#C;YBPVHNZSRLEMPF-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158091;MM158091;C#CC=CC(=O)CC#C;GIGMCCIMTHFNDU-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158092;MM158092;CC=CC(C)C=CCC;VKOBBYQIZSZMBP-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158093;MM158093;CC=CC(C)C=CCN;IUMQWGWGNICZFM-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158094;MM158094;CC=CC(C)C=CCO;FCYYMKARZCGSOA-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158095;MM158095;CC=CC(C)C=CCF;WZVZFNVFXGXKSP-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158096;MM158096;CC(C=CF)C=CCF;AGCODYHIGIMIPN-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158097;MM158097;CC=CC(N)C=CCC;CNYIVWODQYWDCO-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158098;MM158098;CC=CC(N)C=CCF;UZCJWRYLCOGBEW-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158099;MM158099;CCC=CC(N)C=CF;WETQSUBALOHATQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158100;MM158100;C#CC(C)C(=O)NNCC;IEBJYUASUJGGEA-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158101;MM158101;CC=CC(O)C=CCF;RXESARPLHGRWGE-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158102;MM158102;OC(C=CF)C=CCF;WLYTXYHNRIGHFV-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158103;MM158103;CC=CC(C)C=COC;NAOAFTQGFDNIRE-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158104;MM158104;CC=CC(O)C=COC;VPSQAPKOMVVSHN-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158105;MM158105;COC=CC(C)C=NN;VZRLWAGRZKPHGU-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158106;MM158106;COC=CC(F)C=NN;LFYVUNQRTYLVNP-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158107;MM158107;CC=CC(C)C=NNC;MLDHGDOAYATWKL-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158108;MM158108;CNN=CC(C)C=CF;JZMJCTOZZVKICC-UHFFFAOYSA-N;130.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158109;MM158109;C#CCC=CNC(=O)NN;ZISYVZRURBFVGA-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158110;MM158110;CC=CC(F)C=NNC;MYXLKYGVVYHMSZ-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158111;MM158111;CC=CC(C)C=NOC;FLNONCPCKQAYLL-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158112;MM158112;CC=CC(F)C=NOC;XEIKRNMZGMUZEU-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158113;MM158113;CC1(C=O)CC1NNC=O;OFVJQNNUBVNGJQ-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158114;MM158114;CN=CN(O)C=CCN;YJQDGQHWKVYYFS-UHFFFAOYSA-N;129.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158115;MM158115;CNC(=NOC)C(O)CF;JFPAYTNZXIALIE-UHFFFAOYSA-N;150.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158116;MM158116;NCC=CN(O)C=NO;YRFQYYIMVOXLOX-UHFFFAOYSA-N;131.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158117;MM158117;OCC=CN(O)C=NO;XKHRNXCKYKLTSL-UHFFFAOYSA-N;132.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158118;MM158118;ON=CN(O)C=CCF;NIRIVQRKJCQMDE-UHFFFAOYSA-N;134.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158119;MM158119;CCC1=NN=C(NN)NO1;CMQSVVKCMDOJQY-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158120;MM158120;CC=CN(N)C=NCC;PHQXNIZHXACWNZ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158121;MM158121;FCc1c[nH]cn1;CIVKLHWNJHSVQV-UHFFFAOYSA-N;100.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158122;MM158122;NC(=O)NNC1CC1;VWFJXMOQSLYYLW-UHFFFAOYSA-N;115.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158123;MM158123;CON=CN(C)C=CF;DKLHCZDQBAFNQK-UHFFFAOYSA-N;132.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158124;MM158124;CC=CN(N)C=NOC;NPCUKSYCOBIZSL-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158125;MM158125;Cn1cnc(N)c1O;XHNAHTNXSOPOIA-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158126;MM158126;CCN=CN(C)C=NC;LNMCUWXTSXGVSL-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158127;MM158127;CC(=O)NNCCCF;QGJJWURFYWMGKV-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158128;MM158128;NC(=O)NNCCCO;PAJALMOLGQBNGV-UHFFFAOYSA-N;133.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158129;MM158129;CNNC(=O)C=CCF;WMQKKQMSXHVXFT-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158130;MM158130;NN=CC#CC(O)CO;HENDYTCGCKNHDF-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158131;MM158131;NN=C(NN)C(O)CF;QOVUQCOSVBTSSC-UHFFFAOYSA-N;136.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158132;MM158132;CC(=O)NNC(C)(C)CF;WVEALEIAWOKOTF-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158133;MM158133;CC(=O)OC(=N)NNC=O;PTLXGKCMKUHBRT-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158134;MM158134;CN(C=NC=N)NC(N)=O;LVAWQLILUBFKMQ-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158135;MM158135;CON=CN(C)C=NO;JSZJMCVMXAKQOL-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158136;MM158136;CN=CN(N)C=NOC;KVWLLIPURAKWGV-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158137;MM158137;CC=NN(C)C=NCC;JCTKUMJXJLPYRP-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158138;MM158138;C#CC(=NN)C(O)C(C)O;TYSSDEDYGZZVNN-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158139;MM158139;C#CC(CC)NNC(C)=O;NDSVRNASPKNXFS-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158140;MM158140;C=C(CO)N(C)C(=O)NN;NAOCLQQOWDMBQA-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158141;MM158141;CN(C=NO)N=CCO;XGIJGRRDNRRSRJ-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158142;MM158142;CN(C=NO)N=CCF;DAAQWPKYJVYZAV-UHFFFAOYSA-N;133.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158143;MM158143;CC=COC(C)C(=O)NN;JOSVWMIBCIWKNM-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158144;MM158144;COC=NN(C)C=NO;VQDAMXXUCOYMTP-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158145;MM158145;C=CC=CC(C)C=CC;HQGTZHOOOLRCHK-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158146;MM158146;CC=CC(C)C=CC=O;UAPJVECDHMSFOY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158147;MM158147;CC=CC(C)C=CC#N;QAGVEGFFLUEFTF-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158148;MM158148;C=CC=CC(C)C=CF;WKPHHADGODYKDL-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158149;MM158149;CC(C=CF)C=CC=O;CITCNXUMZZYZRP-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158150;MM158150;CC(C=CF)C=CC#N;GWKAGFZMMIZRHR-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158151;MM158151;C=CC=CC(N)C=CC;LKIBTJHPUXVNGR-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158152;MM158152;C=CC=CC(N)C=CF;FLVUVSKIZQXPQD-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158153;MM158153;C#CCCNNC(=O)NC;USTYVKHOVHCBCJ-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158154;MM158154;CC=CC(O)C=CC=O;GFIASMYHWOZJHI-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158155;MM158155;CC=CC(O)C=CC#N;OEZSOJCODKBEJS-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158156;MM158156;C=CC=CC(F)C=CC;NAABYTZAJVBOLR-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158157;MM158157;CC=CC(F)C=CC=O;DIEQNXMYABFNNI-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158158;MM158158;CC=CC(F)C=CC#N;SLJCVLYAJDBPKW-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158159;MM158159;O=CC=CC(F)C=CF;BWWYUXKOEKZSPO-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158160;MM158160;N#CC=CC(F)C=CF;JVSKEGIZZBDHFS-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158161;MM158161;CC(C=CC=O)C=NO;FJBYWRYTEYUXOQ-UHFFFAOYSA-N;127.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158162;MM158162;CC(C=CC#N)C=NO;TWQJNYQBPHPGOS-UHFFFAOYSA-N;124.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158163;MM158163;C=NN=CC(C)C=CC;BJIXTHNSYPGTAJ-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158164;MM158164;C=NN=CC(C)C=CF;RGTDUICXNMULBJ-UHFFFAOYSA-N;128.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158165;MM158165;C=NN=CC(O)C=CC;XJMUSXGOQGSLCB-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158166;MM158166;C=NN=CC(O)C=CF;GWYVLZVDRLMXDV-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158167;MM158167;C=NN=CC(C)C=NN;UOAVJIUQWXFLMC-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158168;MM158168;C=NN=CC(C)C=NO;XDEBHQQMHSNOHS-UHFFFAOYSA-N;127.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158169;MM158169;CC(C)(O)CC(C#N)=NO;AAEHSAUEMXERTI-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158170;MM158170;C=CC=CN(C)C=NC;WTDADVWJCYZGFY-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158171;MM158171;CN=CN(C)C=CC=O;ZDRYRUCMHKXDMP-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158172;MM158172;C#CC(=O)NNC=NOC;NGOFOOZBWAZXMA-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158173;MM158173;CN(C=CC#N)C=NO;CVNOQSGUACAYLO-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158174;MM158174;C=CC=CN(N)C=NC;MJRVDHXCNGQAQU-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158175;MM158175;N=C(C=O)N=CNNC=O;XRCJXYIAFGUHSG-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158176;MM158176;CNN=CC#CC(O)CO;JGDDQPPRXZFCTM-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158177;MM158177;C=CC=CN(O)C=NO;HXGSNLFDQQXKBR-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158178;MM158178;CC=CN(N)C=NC=O;PLRVMKNLLSQORT-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158179;MM158179;N=CN=CN(N)C=CF;ANKYNZJKZPYJDT-UHFFFAOYSA-N;130.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158180;MM158180;C=NN=CN(C)C=CC;JNWWZCLSRRDOMH-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158181;MM158181;C=NN=CN(N)C=CC;NCQWSGZAJJTXCK-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158182;MM158182;CNN=C(NN)C(O)CF;JGDDIUTXPUXKEK-UHFFFAOYSA-N;150.16;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158183;MM158183;NNC(=O)C(=CCO)CO;AAIOMQCCYXEWLN-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158184;MM158184;CN(N)C(=NN)C(O)CF;YVDZRWIINCHWQR-UHFFFAOYSA-N;150.16;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158185;MM158185;CC(=O)C(C#N)N=CNO;XRJGMZUMUVTUNL-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158186;MM158186;C#CC1(CNNC=O)CN1;OLFGEKCMSOJKCK-UHFFFAOYSA-N;139.16;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158187;MM158187;CNn1cnc(CC#N)c1;DSRWAZXIGWRHCT-UHFFFAOYSA-N;136.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158188;MM158188;C#CC1=C(C)C(=NN)CO1;ZATRMOCTSJBZAP-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158189;MM158189;CC=NN(C)C=CC=O;ZAZBEOKWGHNYFC-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158190;MM158190;CN(C=NO)N=CC=O;MXADEWIRQJQWMB-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158191;MM158191;CN(C=NO)N=CC#N;OROUYQZQSXMAIT-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158192;MM158192;C#CC=CC(C)C=CC;CWZLRXNUBDTZES-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158193;MM158193;C#CC=CC(N)C=CC;KBIBXJWFQNKTTM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158194;MM158194;C#CC=CC(N)C=CF;PPAUNHQKIGVRLH-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158195;MM158195;C#CC=CC(O)C=CC;NRWZHZZQPJWBAD-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158196;MM158196;C#CC=CC(F)C=CC;KRMGAAAXDROYGO-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158197;MM158197;C#CC=CC(F)C=CF;KEBHRDFVKUWLCK-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158198;MM158198;C#CC=CC(=O)NN;LQDOYRDZZSXKDG-UHFFFAOYSA-N;110.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158199;MM158199;C#CC=CN(N)C=NC;RPPRRUHSBNJUET-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158200;MM158200;NC1=NCC(O)C1=O;IGPQLFSBPRAIKI-UHFFFAOYSA-N;114.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158201;MM158201;C#CC=NN(C)C=NC;WBYUAOFSSHSERV-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158202;MM158202;C=C(C=CC)C=CCN;UPYYVQIQSSSMFV-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158203;MM158203;CC=CC(=O)C=CCC;HIHGJPMEFFCGEZ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158204;MM158204;CC=CC(=O)C=CCO;XRRMWVVUCLOPPC-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158205;MM158205;CC=CC(=O)C=CCF;RVVYSTJSRWHXHI-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158206;MM158206;NC=CC(=O)C=CCO;AZYIUUPZNBKTBZ-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158207;MM158207;NC=CC(=O)C=CCF;ORJBQTCHGHRJPA-UHFFFAOYSA-N;129.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158208;MM158208;CNC=CC(=O)C=CF;PJXIOADPJNLILE-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158209;MM158209;CC=CC(=O)C=COC;UUVNRSPOLMKJLP-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158210;MM158210;C=C(C=CCC)C=NN;BSEHRMSTIFHONH-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158211;MM158211;NNC(=O)C=C(N)CF;IEQOURUNJKMELR-UHFFFAOYSA-N;133.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158212;MM158212;C=C(C=CC)C=NOC;CVFQWHUQTZDVAO-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158213;MM158213;CC=CC(=O)C=NOC;ANCXKNYQCPENAP-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158214;MM158214;C=CC=CC(=C)C=CC;QYKMZLLZEGNZTK-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158215;MM158215;C=C(C=CC)C=CC#N;ZSHYJRRTXBHTQS-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158216;MM158216;C=CC=CC(=C)C=CF;IDTGRBHIYBXYAM-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158217;MM158217;C=CC=CC(=O)C=CC;BDSKHNSPFNKCEK-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158218;MM158218;CC=CC(=O)C=CC=O;BAVKBTFZXFZOHX-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158219;MM158219;CC=CC(=O)C=CC#N;NVMVDJQGGJMXIW-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158220;MM158220;C=CC=CC(=O)C=CN;JBXPFFDZZKKZNO-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158221;MM158221;C=CC=CC(=O)C=CF;VCSJUABIRJZNOI-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158222;MM158222;N#CC=CC(=O)C=CF;NZGFEZSDFFSOCQ-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158223;MM158223;C=CC=CC(=C)C=NN;QWEZPIDLUFMTTQ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158224;MM158224;O=CC=CC(=O)C=NO;LLJHFQRNZLWFER-UHFFFAOYSA-N;127.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158225;MM158225;C=NN=CC(=C)C=CC;AKWDLHMUTXVMGC-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158226;MM158226;C=NN=CC(=O)C=CC;OQYUNWOKBFRGAR-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158227;MM158227;C#CC=CC(=O)C=CC;ZYVQYOAGLIGTCQ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158228;MM158228;C#CC=CC(=O)C=CF;LYCCSAFXZYHASL-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158229;MM158229;C#CC=CC(=C)C=NN;MTJURGXRLFUIDN-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158230;MM158230;C#CC=CC(=C)C=NO;SZHYNFUGKDITNB-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158231;MM158231;CC#CC(C)C=CCC;QNBACAWFXFLWPS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158232;MM158232;CC#CC(C)C=CCN;OLPSNVTVCWEKFG-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158233;MM158233;CC#CC(C)C=CCF;LNOPRPZCEXSFMO-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158234;MM158234;CC#CC(N)C=CCC;ILGKJDMZAYRBLI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158235;MM158235;CC#CC(N)C=CCF;QEDQISALSBVYIB-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158236;MM158236;CC#CC(O)C=CCC;LVHNWVDSHQFNDA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158237;MM158237;CC#CC(O)C=CCF;JMPVZEYGRPYFBA-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158238;MM158238;CC#CC(F)C=CCC;SSBVYRZPACJBLG-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158239;MM158239;CC#CC(C)C=COC;HRBYYDLPKSVFRE-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158240;MM158240;CC#CC(N)C=COC;NPACMENHMBFNGB-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158241;MM158241;CC#CC(O)C=COC;OBHODGBGEYKWGO-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158242;MM158242;CC#CC(F)C=COC;OAMZJXAGIDVFJV-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158243;MM158243;CC#CC(C)C=NNC;PBSIAWDKLUTKIW-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158244;MM158244;CC#CC(F)C=NNC;PCZVBBJBATUJSU-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158245;MM158245;CC#CC(C)C=NOC;UEFUCPVIRCQBKU-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158246;MM158246;C#CCN(C)C(=O)NN;GVLGSIJVHMUFJI-UHFFFAOYSA-N;127.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158247;MM158247;Cn1c(CF)cnc1O;NICMIXFHLVVRKG-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158248;MM158248;C=CC=CC(C)C#CC;KANGYOGUYYANOB-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158249;MM158249;CC#CC(C)C=CC=O;RXUNPCOZVLYGLL-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158250;MM158250;CC#CC(C)C=CC#N;XQWRPBCVEIXROG-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158251;MM158251;C=CC=CC(O)C#CC;PVZKYURTNPGRRI-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158252;MM158252;CC#CC(O)C=CC=O;FLEPROLXPVGQKA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158253;MM158253;CC#CC(O)C=CC#N;LKLPEAXEMGFPGT-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158254;MM158254;CC#CC(F)C=CC#N;DWVSNZNDABYLPE-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158255;MM158255;C=NN=CC(C)C#CC;IWHWQBQBGGMCAL-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158256;MM158256;C=NN=CC(O)C#CC;SZUVGHQUNGGWSH-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158257;MM158257;C=NN=CC(F)C#CC;AUFQEVJBKRKXIQ-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158258;MM158258;C#CC=CC(C)C#CC;DIGKLPFWJGYMAP-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158259;MM158259;C#CC=CC(N)C#CC;NRQWLSXYXGKNMH-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158260;MM158260;C#CC=CC(O)C#CC;WQUIKCDDTZCDCB-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158261;MM158261;C#CC=CC(F)C#CC;YMIIIBFIJBXQQV-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158262;MM158262;C=C(C#CC)C=CCC;NWFXNTZCVJQQFI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158263;MM158263;C=C(C#CC)C=CCN;OEFNVKUIDREJPX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158264;MM158264;C=C(C#CC)C=CCO;AVUUDZUPBFNRHG-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158265;MM158265;C=C(C#CC)C=CCF;HJWLREXRRQIBGU-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158266;MM158266;CC#CC(=O)C=CCC;MUVQYMXSFRIMJD-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158267;MM158267;CC#CC(=O)C=CCF;YQAIOJULXOZFBW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158268;MM158268;C=C(C#CC)C=COC;ZRTKOJPIDVOOAJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158269;MM158269;CC#CC(=O)C=COC;XNXQOEAHVLRLOD-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158270;MM158270;C=C(C#CC)C=NNC;POVUQCXEVDTSKS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158271;MM158271;O=CNNC1(CO)CC1;ZLJZIARURYOQAL-UHFFFAOYSA-N;130.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158272;MM158272;C=C(C#CC)C=NOC;VTQDJOJEJUXKFW-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158273;MM158273;CC#CC(=O)C=NOC;HIZGUXDXWADYNY-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158274;MM158274;C=CC=CC(=C)C#CC;XEOQXOXOYSGKSC-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158275;MM158275;C=C(C#CC)C=CC=O;DGPRWRGTWQWORB-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158276;MM158276;C=C(C#CC)C=CC#N;NCFAGVIWIWZSLH-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158277;MM158277;CC#CC(=O)C=CC=O;TXMDAJRWRKWHDT-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158278;MM158278;C=NN=CC(=C)C#CC;XSVPIOCSNOZAHZ-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158279;MM158279;C=NN=CC(=O)C#CC;GVSPKRUARSXDOS-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158280;MM158280;C#CC=CC(=C)C#CC;XAPMMIUAZOEDSQ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158281;MM158281;C#CC=CC(=O)C#CC;MIYYWFKBMLXZLD-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158282;MM158282;CCC#CC(C)CCC;KZPFAERNQBTVSG-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158283;MM158283;CCCC(C)C#CCN;AVORWSVUZGHWFY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158284;MM158284;CCCC(C)C#CCO;XGANGMUAKGCVBQ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158285;MM158285;CCCC(C)C#CCF;RFANRMSNNBEVMZ-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158286;MM158286;CCC#CC(C)CCN;LKBRWAKBTKIVBD-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158287;MM158287;CC(C#CCF)CCN;IOPXXIQVAVVNQD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158288;MM158288;C=CC(C)(F)C(O)C=NN;QLWGJAIKXBKHHL-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158289;MM158289;CC(C#CCN)CCF;DCPFFIMDTQNDIC-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158290;MM158290;CC(C#CCO)CCF;KCCHACSNBPKSAA-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158291;MM158291;CCC#CC(N)CCC;UTARKCVZOOJFAS-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158292;MM158292;CCCC(N)C#CCF;BBUOOBUMVOAJPW-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158293;MM158293;CCC#CC(N)CCN;OPLSTRMPPLZAIW-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158294;MM158294;NCC#CC(N)CCN;GVLGHANTUMBAQM-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158295;MM158295;CCC#CC(N)CCF;XTRZOGZBOHOSPC-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158296;MM158296;NC(C#CCO)CCF;ZCKZYMKTVMDIAK-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158297;MM158297;CCC#CC(O)CCC;RYHRYVVZOMXFPO-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158298;MM158298;CCCC(O)C#CCF;ITRGUVVMNMNYQC-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158299;MM158299;NCC#CC(O)CCN;MVCWXZDOLDTLQR-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158300;MM158300;NCC#CC(O)CCO;YDSMGNNEGBSSOP-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158301;MM158301;OCC#CC(O)CCO;ZJUFPQDVIGUBQX-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158302;MM158302;CCC#CC(F)CCC;RFELTLBDSOOLHA-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158303;MM158303;CCCC(F)C#CCN;CUGRTSKYYOYYAW-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158304;MM158304;CCCC(F)C#CCO;OYLNWHZNXSKZGZ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158305;MM158305;CCCC(F)C#CCF;BHDHAININGRDKH-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158306;MM158306;CCC#CC(F)CCN;DPKXJNMLMGARKK-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158307;MM158307;CCC#CC(F)CCO;PDLGUBYGXFGFNY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158308;MM158308;CCC#CC(F)CCF;YUFHULNAIAOCGB-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158309;MM158309;CNCC(C)C#CCN;ZZVAHAUVWYLHTI-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158310;MM158310;CNCC(C)C#CCO;LTCKGSAEPLCSSQ-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158311;MM158311;CNCC(O)C#CCN;ISZYZANMBIOXRO-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158312;MM158312;CNCC(O)C#CCO;URAOEGSKMFWHIZ-UHFFFAOYSA-N;129.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158313;MM158313;CNCC(O)C#CCF;CGGDIGYIDPXPDS-UHFFFAOYSA-N;131.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158314;MM158314;CCC#CC(C)COC;RNWZKARGGGUWCN-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158315;MM158315;COCC(C)C#CCF;NTEMCMBUNIPTBU-UHFFFAOYSA-N;130.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158316;MM158316;CCC#CC(N)COC;OFSAGMRHQNEMQF-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158317;MM158317;CCC#CC(O)COC;FDQUSVZTXFABCE-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158318;MM158318;COCC(O)C#CCN;DHCTXWUPKWMGRK-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158319;MM158319;COCC(O)C#CCO;KXZTWQYGMKLPPW-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158320;MM158320;COCC(O)C#CCF;FDKMGPCUZPIHOW-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158321;MM158321;CCC#CC(F)COC;LETZLMMPOUVVAP-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158322;MM158322;COCC(F)C#CCO;LANHLTOEQNICBU-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158323;MM158323;CCC#CC(C)NCC;ZUUZUZJJWBFSJW-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158324;MM158324;CCC#CC(C)OCC;AAXYJOHFAJFNRP-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158325;MM158325;CCOC(C)C#CCN;YIUXROGULPQPNW-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158326;MM158326;CCOC(C)C#CCO;SLCORPHRADMPAN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158327;MM158327;C=CC#CC(C)CCC;BEINQOWBMJZUHZ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158328;MM158328;CCCC(C)C#CC=O;PXKUABCIRMLVTA-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158329;MM158329;CCCC(C)C#CC#N;VJVRSFWTKAVEMP-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158330;MM158330;C=CC#CC(C)CCN;LJDNWCDZSJKURZ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158331;MM158331;CC(C#CC#N)CCO;RRGPIJKQCAXXMH-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158332;MM158332;CC(C#CC#N)CCF;DKNMUOXWKCJDLV-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158333;MM158333;C=CC#CC(N)CCC;ZUAYBJQCEWJUAO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158334;MM158334;C=CC#CC(N)CCF;VZDNNSVTZUPJLL-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158335;MM158335;C=CC#CC(O)CCC;CRXCNUJGCZLPBF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158336;MM158336;CCCC(O)C#CC=O;JZDKALUUXZOTQV-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158337;MM158337;CCCC(O)C#CC#N;KITNOYOHNIGALP-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158338;MM158338;O=CC#CC(O)CCO;HAIJTFZHYIGRGI-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158339;MM158339;N#CC#CC(O)CCO;QUEQRBQEGKJJII-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158340;MM158340;CCCC(F)C#CC=O;YVMCONGNQONAQX-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158341;MM158341;CCCC(F)C#CC#N;MHGHPPVDYMUQJO-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158342;MM158342;C=CC#CC(F)CCN;DSAFTZHUJYVIMK-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158343;MM158343;C=CC#CC(F)CCO;HIEFNZOUPATCMX-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158344;MM158344;N#CC#CC(F)CCF;UHAYXNIZGDLDOW-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158345;MM158345;C=CC#CC(C)CNC;GUTHRBVMDQPSOJ-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158346;MM158346;CNCC(O)C#CC=O;KSEVHQGQVDXFFR-UHFFFAOYSA-N;127.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158347;MM158347;CNCC(O)C#CC#N;JHEIRNFNCZYKAU-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158348;MM158348;C=CC#CC(C)COC;PPEXRFYRRZGZEI-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158349;MM158349;COCC(C)C#CC=O;JTYCOZIGJDPTIX-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158350;MM158350;C=CC#CC(F)COC;KQUJDIGVPXHLBR-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158351;MM158351;C=CC#CC(C)NCC;PEZSMHZPJBFIDC-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158352;MM158352;CCOC(C)C#CC=O;SEYXXURRNXVUOA-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158353;MM158353;C#CC#CC(C)CCC;NLXMQHOWVOUOOP-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158354;MM158354;C#CC#CC(C)CCN;HFEJQDVLCKNUNE-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158355;MM158355;C#CC#CC(C)CCF;NDFJNPLJIDTBJP-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158356;MM158356;C#CC#CC(N)CCC;UXAJSGUKAMUBJH-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158357;MM158357;C#CC#CC(O)CCC;BAVSAAPWMYYDNO-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158358;MM158358;C#CC#CC(F)CCC;PUQTTXUXVMYBBF-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158359;MM158359;C#CC#CC(F)CCN;WXLNTKJUZWLOTI-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158360;MM158360;C#CC#CC(F)CCO;SNMCRPFNIFQXJT-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158361;MM158361;C#CC#CC(F)CCF;UAYUQHKDTSDYRQ-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158362;MM158362;C#CC#CC(C)CNC;RHBFHSAMSWOVSQ-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158363;MM158363;C#CC#CC(O)CNC;OFTLKIJWIWLNKY-UHFFFAOYSA-N;123.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158364;MM158364;C#CC#CC(C)COC;HWWJIAMKOOIWBJ-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158365;MM158365;C#CC#CC(F)COC;VBVXHQGLFKRCDT-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158366;MM158366;C#CC#CC(C)NCC;YXSLZNPLCJSXAF-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158367;MM158367;C#CC#CC(C)OCC;AITJHLRQIHRJCI-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158368;MM158368;C=CCC(C)C#CCC;NDUWDUJHROJNJI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158369;MM158369;C=CCC(C)C#CCN;BIUVDBDIPIGYGX-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158370;MM158370;C=CCC(C)C#CCO;YVRRRLPDQVKVHO-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158371;MM158371;C=CCC(C)C#CCF;PEYGGQHUQPFASJ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158372;MM158372;CCC#CC(C)CC=O;CLIYPOYZWLVCOV-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158373;MM158373;CCC#CC(C)CC#N;XZKLCJOXDQABSR-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158374;MM158374;CC(C#CCO)CC=O;VPUQBWITBRPWMI-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158375;MM158375;CC(C#CCF)CC=O;ZITSFWMGFOTALN-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158376;MM158376;CC(C#CCF)CC#N;SJLRZHFXMRQENF-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158377;MM158377;C=CCC(N)C#CCC;IFPQWTSLPULBKT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158378;MM158378;C=CCC(N)C#CCO;CZLVGXIFJSNAQU-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158379;MM158379;C=CCC(N)C#CCF;RSCZAXWCUAWTQD-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158380;MM158380;C=CCC(O)C#CCC;FQQIDGJTHMBKHZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158381;MM158381;C=CCC(O)C#CCN;GZRIZWHQSFQONP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158382;MM158382;C=CCC(O)C#CCF;KMJPDZOKWHUAHB-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158383;MM158383;CCC#CC(O)CC=O;IAAUTMIXVPSPIC-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158384;MM158384;CCC#CC(O)CC#N;IBZZENAEOUZYLB-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158385;MM158385;O=CCC(O)C#CCO;VYTKPMAYWZLLPA-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158386;MM158386;N#CCC(O)C#CCO;UGWNZUIYMZXAEU-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158387;MM158387;O=CCC(O)C#CCF;OSEFTVOESVIFFH-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158388;MM158388;C=CCC(F)C#CCN;GKMSZXPEZSUILS-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158389;MM158389;CCC#CC(F)CC#N;APLUVRRKZZTANH-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158390;MM158390;CCC#CC(C)NC=N;LHADANMEEJETDF-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158391;MM158391;CC(C#CCN)NC=N;JBZOEUNJFPUMGF-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158392;MM158392;CC(C#CCO)NC=N;JHUXIEJPSUODRT-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158393;MM158393;CCC#CC(C)NC=O;YBEXQPXEXNJQHK-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158394;MM158394;CC(C#CCN)NC=O;NEBWAXWKCFEVCD-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158395;MM158395;CC(C#CCO)NC=O;OYTXXRROVHLRIT-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158396;MM158396;CC1(NC(=O)NN)CC1O;PDAKPMABWCBYEG-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158397;MM158397;C#CC(O)C=NOC(C)C;WCWWBTFWFNMNEJ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158398;MM158398;C=COC(C)C#CCC;KCSUFXLOFXWPFX-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158399;MM158399;C=COC(C)C#CCN;AICBDBLJNUETEK-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158400;MM158400;C=COC(C)C#CCO;ISJWAKJONJCBTI-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158401;MM158401;CCC#CC(C)OC=O;DVTIHSDRYPTDHU-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158402;MM158402;CC(C#CCN)OC=O;YIUQJKQJHOLZLT-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158403;MM158403;CC(C#CCF)OC=O;LSAWIGXUAVJVRU-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158404;MM158404;C=CC#CC(C)CC=C;CKIVSAJGGCMCFD-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158405;MM158405;C=CCC(C)C#CC=O;XHRCVNZOUUSURP-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158406;MM158406;C=CCC(C)C#CC#N;RBIQXFAAJGVSRY-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158407;MM158407;C=CC#CC(C)CC=O;LJZNJIGIXPHVNQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158408;MM158408;C=CC#CC(C)CC#N;IQLJTYUHKNLOLY-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158409;MM158409;CC(C#CC=O)CC=O;ICPNJDJBWKKJPO-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158410;MM158410;CC(C#CC=O)CC#N;CGYMOISYICHBRA-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158411;MM158411;CC(C#CC#N)CC=O;RXPPQIPFLXYVKN-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158412;MM158412;C=CC#CC(N)CC=C;GWZFLCJCTWQRPW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158413;MM158413;C=CC#CC(O)CC=C;POFFCSUBSMJMGO-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158414;MM158414;C=CC#CC(F)CC=C;POJXNFVEBSXWEM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158415;MM158415;C=CCC(F)C#CC=O;AIEQTOUPUVLZRQ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158416;MM158416;C=CCC(F)C#CC#N;QYQBXYSMVBXQIZ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158417;MM158417;C=CC#CC(F)CC#N;BRLLVBXEXPRSNO-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158418;MM158418;N#CC#CC(F)CC=O;VZANOJMXYJBLJY-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158419;MM158419;CC(C#CC=O)N=CN;IXQWDWSENJVLPX-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158420;MM158420;C=CC#CC(C)NC=O;GMBVVDBGXJECOF-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158421;MM158421;CC(C#CC=O)NC=O;ZASFZSPHDXGYLF-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158422;MM158422;C=CNC(=O)NN(C)CC;DYTMMHDKJPTEBD-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158423;MM158423;C=CC#CC(C)OC=C;XDELVAGMTWTUCY-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158424;MM158424;C=COC(C)C#CC=O;MHOAXEDDKUOIOF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158425;MM158425;C=COC(C)C#CC#N;TXOGEZUSUNJODQ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158426;MM158426;C=CC#CC(C)OC=O;CRPWKQAUBDGFNZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158427;MM158427;CC(C#CC#N)OC=O;FDPYTZUMFZVHSW-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158428;MM158428;C=CC#CC(C)ON=C;SKLZRSMUWBOONE-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158429;MM158429;C=NOC(C)C#CC#N;CQBGFISBAAGDMX-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158430;MM158430;C#CC#CC(C)CC=C;ZJFRHPPJGXCMSA-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158431;MM158431;C#CC#CC(C)CC=O;CCCVWBMNZMMNSZ-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158432;MM158432;C#CC#CC(C)CC#N;NEFGIKBSIBYUEV-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158433;MM158433;C#CC#CC(N)CC=C;KGPDCNGTEMTFNS-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158434;MM158434;C#CC#CC(O)CC=C;ILOPZOYFAUCWOT-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158435;MM158435;C#CC#CC(F)CC=C;ODPISRATEVVTLS-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158436;MM158436;C#CC#CC(F)CC#N;GRWRDHBRKSNALB-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158437;MM158437;C#CC#CC(C)NC=O;LFEYUJDGCMCDII-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158438;MM158438;C#CC#CC(C)OC=C;GBILRPXPOWWGPF-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158439;MM158439;C#CC#CC(C)OC=O;PJOKPJAWBGRVGD-UHFFFAOYSA-N;122.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158440;MM158440;C#CC#CC(C)ON=C;LZVRYGNMGLXVHE-UHFFFAOYSA-N;121.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158441;MM158441;C#CCC(C)C#CCC;YQZQGVPEGWRRHP-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158442;MM158442;C#CCC(C)C#CCN;ZGGJCFKOPVGCNZ-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158443;MM158443;C#CCC(C)C#CCO;VJSHOAAVKDLVTN-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158444;MM158444;C#CCC(C)C#CCF;YMXUPAZRVHVGKU-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158445;MM158445;C#CCC(N)C#CCC;OHIMICSULJIREI-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158446;MM158446;C#CCC(N)C#CCN;ZOZNHFQJHTZIPQ-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158447;MM158447;C#CCC(N)C#CCF;WIPQGKNSFDFXDY-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158448;MM158448;C#CCC(O)C#CCC;VTOHWTDNSLVXKX-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158449;MM158449;C#CCC(O)C#CCO;ISZOXGHTTSNUQO-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158450;MM158450;C#CCC(O)C#CCF;NKSCVQXLVFXKHY-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158451;MM158451;C#CCC(F)C#CCC;FSTWRDVDOPUXQN-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158452;MM158452;C#CCC(F)C#CCN;CIPFBCQIELVQSI-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158453;MM158453;C#CCC(C)C#CC=C;SQKAWENVLIRDSH-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158454;MM158454;C#CCC(C)C#CC=O;DJRMPHKKFZWHII-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158455;MM158455;C#CCC(C)C#CC#N;YROYYGHNCOSTJG-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158456;MM158456;C#CCC(N)C#CC=C;WSHCHKDRPQZTHT-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158457;MM158457;C#CCC(O)C#CC=C;HGTCHJURYWAZJY-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158458;MM158458;C#CCC(O)C#CC#N;XLEONQJPVNMVQN-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158459;MM158459;C#CCC(F)C#CC=C;YFTKRXGNASKJBA-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158460;MM158460;C#CCC(F)C#CC#N;UPGSWUDXJWSOSU-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158461;MM158461;C#CC#CC(C)CC#C;XLLCYKQSBUFHPZ-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158462;MM158462;C#CC#CC(N)CC#C;ITOIGHHSZVPTDW-UHFFFAOYSA-N;117.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158463;MM158463;C#CC#CC(O)CC#C;PSBWNECESBGYTH-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158464;MM158464;C#CC#CC(F)CC#C;NSUMVHLVRGTBCQ-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158465;MM158465;C=C(C#CCC)CCC;VTJWAVUJGZPDPE-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158466;MM158466;C=C(C#CCN)CCC;YHKMVGMXHVPVGJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158467;MM158467;C=C(C#CCO)CCC;CQVDMRGPHRAZOH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158468;MM158468;C=C(C#CCF)CCC;ZLWUGXRXSHHXIO-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158469;MM158469;C=C(C#CCC)CCN;VXDUBHDTHBFIDN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158470;MM158470;C=C(C#CCN)CCN;QIWGISONFPPBMT-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158471;MM158471;C=C(C#CCO)CCN;AWTMPMOWKGGODE-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158472;MM158472;C=C(C#CCC)CCO;NHDFVDKHVWNEKB-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158473;MM158473;C=C(C#CCO)CCO;MNJWQYKYORWIHX-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158474;MM158474;C=C(C#CCF)CCO;LOMZFXSQAGYMGO-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158475;MM158475;C=C(C#CCO)CCF;KBZNWKVGOCDYIF-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158476;MM158476;C=C(C#CCF)CCF;QFXMVYDMFMXBQJ-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158477;MM158477;CCC#CC(=O)CCC;YOZDGQSDLHYYIT-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158478;MM158478;CCCC(=O)C#CCO;YTGZVWGTQVGETK-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158479;MM158479;CCCC(=O)C#CCF;LBQWAMVCZONLMS-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158480;MM158480;CCC#CC(=O)CCO;RWVQTUKANWWDLO-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158481;MM158481;O=C(C#CCO)CCO;HYFJOPOIYGQANH-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158482;MM158482;O=C(C#CCF)CCO;FYVDMMKKDGOULZ-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158483;MM158483;C=C(C#CCN)CNC;LELCNSHEHZQFNL-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158484;MM158484;C=C(C#CCO)CNC;RIJJZAWOZGBDHV-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158485;MM158485;C=C(C#CCC)COC;XANGYOJVCUTQMV-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158486;MM158486;C=C(C#CCN)COC;MRKHQVVDOVUKCF-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158487;MM158487;CCC#CC(=O)COC;MFIKBTVLAJOBMO-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158488;MM158488;CCNC(=N)C#CCN;NMUHBIQNZKIYLT-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158489;MM158489;CCNC(=N)C#CCO;VFCJXTJLYYNAJK-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158490;MM158490;CCC#CC(=O)NCC;HNDLCBQOHSDOPO-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158491;MM158491;CCNC(=O)C#CCO;QFMRKRFUOQWTSM-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158492;MM158492;CNNC(=N)C#CCN;APHHJFYPOPFTBG-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158493;MM158493;CNNC(=N)C#CCO;XPONFOBTVMEBHY-UHFFFAOYSA-N;127.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158494;MM158494;CNNC(=N)C#CCF;JFOITXLXPSYQTK-UHFFFAOYSA-N;129.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158495;MM158495;CNNC(=O)C#CCO;LZBGCFSRMJWMDQ-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158496;MM158496;CNNC(=O)C#CCF;ZTGYLYXQBHDDAX-UHFFFAOYSA-N;130.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158497;MM158497;CCC#CC(=O)NOC;MNVBRKDNTUALTA-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158498;MM158498;CONC(=O)C#CCO;YMOOFPRPIQZNDC-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158499;MM158499;C=C(C#CCC)OCC;PDCARBMDKQMQOB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158500;MM158500;C=C(C#CCN)OCC;LNFARGGMAXMFKS-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158501;MM158501;C=C(C#CCO)OCC;OFRBFNWKOQVPHB-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158502;MM158502;C=C(C#CCF)OCC;ICQOBBWYBAPOKZ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158503;MM158503;CCC#CC(=O)OCC;XDPRPKSTFBPPHU-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158504;MM158504;CCOC(=O)C#CCF;QOQFTINFKRNQTO-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158505;MM158505;C=CC#CC(=C)CCC;RSKLEKYMVSULKX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158506;MM158506;C=C(C#CC=O)CCC;VHPOEHRVVHJXCU-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158507;MM158507;C=C(C#CC#N)CCC;XLQILVRPWJPMIQ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158508;MM158508;C=CC#CC(=C)CCN;QKDJBSXVEMUTEB-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158509;MM158509;C=CC#CC(=C)CCO;CUBYARBFOPBBDJ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158510;MM158510;C=C(C#CC#N)CCO;HPEOFIUPVAFMNJ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158511;MM158511;C=C(C#CC=O)CCF;GZKUOSLPVVQSSL-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158512;MM158512;C=C(C#CC#N)CCF;OKFCFOODKZYOMJ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158513;MM158513;C=CC#CC(=O)CCC;JXTHQWZWBRBFTE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158514;MM158514;CCCC(=O)C#CC=O;CSFVTUSYYFGRIE-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158515;MM158515;CCCC(=O)C#CC#N;ZZZBUNYMYULKON-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158516;MM158516;C=CC#CC(=O)CCF;WQKSRYMIYRMBRP-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158517;MM158517;N#CC#CC(=O)CCF;ZMSPXWPYWZFYMN-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158518;MM158518;C=CC#CC(=C)CNC;YPZXYZNKVDFRPB-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158519;MM158519;C=C(C#CC=O)CNC;XJCQIVWRQJWGRQ-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158520;MM158520;C=CC#CC(=C)COC;ANWFMIVUCCBOQA-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158521;MM158521;C=C(C#CC#N)COC;OTFSENHITMNRDR-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158522;MM158522;C=CC#CC(=O)COC;USPYSWLNFWHWCN-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158523;MM158523;COCC(=O)C#CC#N;XGGOXUXAPHMEIB-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158524;MM158524;C=CC#CC(=N)NCC;VFPFCTWFXHLCRZ-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158525;MM158525;C=CC#CC(=O)NCC;ALZUHQNRTZANSB-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158526;MM158526;CNNC(=O)C#CC=O;MORZFVMYZFMYQI-UHFFFAOYSA-N;126.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158527;MM158527;CNNC(=O)C#CC#N;QGBAMGGUHPPYDK-UHFFFAOYSA-N;123.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158528;MM158528;C=CC#CC(=C)OCC;OEYXCSFQFZYEMJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158529;MM158529;C=C(C#CC=O)OCC;CSZXPHIBRIGNMF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158530;MM158530;C=C(C#CC#N)OCC;QQEMNONOBFDCKW-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158531;MM158531;C=CC#CC(=O)OCC;CVSWQSBMTGYNCD-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158532;MM158532;CCOC(=O)C#CC#N;MREFPFREUQOPNF-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158533;MM158533;C#CC#CC(=C)CCC;JDIGJZQCBBFTGX-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158534;MM158534;C#CC#CC(=C)CCN;QWFSSHNFBPBXMK-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158535;MM158535;C#CC#CC(=C)CCO;JPUSJJIRCQMQFB-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158536;MM158536;C#CC#CC(=C)CCF;NDKFNOCMXFCURG-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158537;MM158537;C#CC#CC(=O)CCC;YLDXBKNLTGJDMV-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158538;MM158538;C#CC#CC(=O)CCF;AGCLIZOZCUQDNV-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158539;MM158539;C#CC#CC(=C)CNC;NDJDUEPHXHMGNW-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158540;MM158540;C#CC#CC(=C)COC;SCVWDOAERHOKTE-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158541;MM158541;C#CC#CC(=O)COC;KLTQEIAAKMDVBK-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158542;MM158542;C#CC#CC(=N)NCC;CNVHUEQORGXTNE-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158543;MM158543;C#CC#CC(=O)NCC;HDHMLEZYWGORKZ-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158544;MM158544;C#CC#CC(=C)OCC;LNWCHUDJDTUZKS-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158545;MM158545;C#CC#CC(=O)OCC;PSHCUMYETUOWAR-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158546;MM158546;C=CCC(=C)C#CCC;KGNNJRPEOSDFKL-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158547;MM158547;C=CCC(=C)C#CCN;GPRLCWWOFQUOPB-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158548;MM158548;C=CCC(=C)C#CCO;LHPRAAAWVHFJLJ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158549;MM158549;C=CCC(=C)C#CCF;TWDBAPARKKMJRW-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158550;MM158550;C=C(C#CCC)CC=O;YWGUZMBSRMBXOI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158551;MM158551;C=C(C#CCC)CC#N;UEGPZKBUZHFBPX-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158552;MM158552;C=C(C#CCF)CC=O;KTKQGTZTYIOHFF-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158553;MM158553;C=C(C#CCF)CC#N;IOJTYGCNFVQVNP-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158554;MM158554;C=CCC(=O)C#CCC;AQMKAOLXAWMQTB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158555;MM158555;C=CCC(=O)C#CCF;KJCGFAXGJODEIE-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158556;MM158556;CCC#CC(=O)CC#N;LIMOZAOHMCVQCK-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158557;MM158557;N#CCC(=O)C#CCO;LAEGQOCCAVASHG-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158558;MM158558;C=C(C#CCC)NC=N;BDVYZMJODOOEDG-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158559;MM158559;C=C(C#CCF)NC=N;CMKFSYJYTRWZFV-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158560;MM158560;C=C(C#CCC)NC=O;CRPSTXIQDHZWLH-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158561;MM158561;C=C(C#CCF)NC=O;PIPXOLGQPJCLGK-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158562;MM158562;C=CNC(=N)C#CCC;HFDDSACFXOYZDO-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158563;MM158563;C=CNC(=N)C#CCN;GHERYDAZHXBULV-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158564;MM158564;N=C(C#CCO)NC=O;SNYQCTQQZGPCDM-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158565;MM158565;N=C(C#CCF)NC=O;UXXANUYDOIMXPX-UHFFFAOYSA-N;128.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158566;MM158566;C=CNC(=O)C#CCC;ZCAYRFGMKVDZPW-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158567;MM158567;C=CNC(=O)C#CCO;YAUKFVIHFUFMQA-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158568;MM158568;CC(=CCO)NC(=O)NN;DWGKAUMPSDVZBX-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158569;MM158569;CC1(F)CC(C(=O)NN)C1;VYROOMRJAYFFQW-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158570;MM158570;O=CNC(=O)C#CCO;DKTQPBACRAMJTO-UHFFFAOYSA-N;127.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158571;MM158571;CC1CC1(F)CNNC=O;YQBAPEBHBSMAHU-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158572;MM158572;C=NNC(=O)C#CCC;QJYCARIEJVQTNT-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158573;MM158573;C=COC(=C)C#CCC;QJYXXTMWNSQSIR-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158574;MM158574;C=COC(=C)C#CCN;YEIWZEUGYLTTBR-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158575;MM158575;C=COC(=C)C#CCO;CKZVVQZXEQNHQX-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158576;MM158576;C=COC(=C)C#CCF;SUYHURDLFHQHEY-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158577;MM158577;C=C(C#CCC)OC=O;DVTYPOZXIJTALS-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158578;MM158578;C=COC(=O)C#CCC;HXQXKJRGWODPLS-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158579;MM158579;C=COC(=O)C#CCF;DWAPHPAUAWLHRY-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158580;MM158580;C=NOC(=O)C#CCC;NEHOFVVWECMPEL-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158581;MM158581;C=CC#CC(=C)CC=C;GQQMHBJWYNEJGG-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158582;MM158582;C=CCC(=C)C#CC=O;KXNQBZALDKYTFI-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158583;MM158583;C=CCC(=C)C#CC#N;JGCHHJBFLVAJKD-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158584;MM158584;C=CC#CC(=C)CC=O;SOOJYGBYUWRKKA-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158585;MM158585;C=CC#CC(=C)CC#N;TWWNHHGJKRRKRK-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158586;MM158586;C=C(C#CC=O)CC#N;PIXGQWDEEKVXMQ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158587;MM158587;C=C(C#CC#N)CC=O;HDZAQLCDGOOXDM-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158588;MM158588;C=C(C#CC#N)CC#N;PAOFOCLBJJZQAS-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158589;MM158589;C=CC#CC(=O)CC=C;JXGSOUWCXILEFI-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158590;MM158590;C=CCC(=O)C#CC#N;YOEXPJGWSQCVHA-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158591;MM158591;C=CC#CC(=O)CC#N;OOTMJDKZNNSUSS-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158592;MM158592;C=COC(=NO)C(C)F;CDQHALRBCRLRED-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158593;MM158593;N#CC#CC(=N)NC=O;MZLMZAWORTYOMU-UHFFFAOYSA-N;121.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158594;MM158594;N#CC#CC(=O)NC=N;AJPSPTUCMFTNAN-UHFFFAOYSA-N;121.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158595;MM158595;C=CC#CC(=C)OC=C;DMJZEPHDKTWBQQ-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158596;MM158596;C=COC(=C)C#CC=O;DECRLDHIPBMCNJ-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158597;MM158597;C=COC(=C)C#CC#N;IYZYVZDNEVKEJX-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158598;MM158598;C=CC#CC(=C)OC=O;HASBTBVHUQYDEX-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158599;MM158599;C=C(C#CC#N)OC=O;QJFLTLZHYCRSDH-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158600;MM158600;C=CC#CC(=O)OC=C;JRTWFBLCDBVJBO-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158601;MM158601;C=COC(=O)C#CC#N;OQFDISSLZLUTTA-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158602;MM158602;C=NOC(=O)C#CC#N;FCZUJAJMBOLBML-UHFFFAOYSA-N;122.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158603;MM158603;C#CC#CC(=C)CC=C;VIFZSWKGBAPAQU-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158604;MM158604;C#CC#CC(=C)CC=O;DBAJFIBXEWJEIN-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158605;MM158605;C#CC#CC(=C)CC#N;PCHMNQGPDRLABD-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158606;MM158606;C#CC#CC(=O)CC=C;UFXNKVLYYUFAOC-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158607;MM158607;C#CC#CC(=C)OC=C;VUVOJOUIIYABJH-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158608;MM158608;C#CC#CC(=C)OC=O;STWQWZSJZZKBSF-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158609;MM158609;C#CC#CC(=O)OC=C;QQKVKLHTNFJPLX-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158610;MM158610;C#CCC(=C)C#CCC;YVWUADLFXPGXAD-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158611;MM158611;C#CCC(=C)C#CCN;FQSZMWUMSYKJRE-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158612;MM158612;C#CCC(=C)C#CCF;FZHHYONSOZBYIH-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158613;MM158613;C#CCC(=O)C#CCC;RTYJEEGEJZOYBW-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158614;MM158614;C#CCC(=O)C#CCF;WTGAXICTZIBSFK-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158615;MM158615;C#CCC(=C)C#CC=C;UPVMGVDVUCXIGQ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158616;MM158616;C#CCC(=C)C#CC=O;DUKUHTCAYKFZKN-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158617;MM158617;C#CCC(=C)C#CC#N;PQGDYRPFSLPWPQ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158618;MM158618;C#CCC(=O)C#CC=C;ZNDUFNCMMLXYBK-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158619;MM158619;C#CCC(=O)C#CC=O;VJEKEZVVYLQHNE-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158620;MM158620;C#CC#CC(=O)CC#C;KBXYIMXNXNIVQK-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158621;MM158621;CC=CC(C)C#CCC;YYJHQSJTXOMLLI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158622;MM158622;CC=CC(C)C#CCN;CYVZEGJRPHDORM-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158623;MM158623;CC=CC(C)C#CCO;PJXXYCUTPXVGMD-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158624;MM158624;CC=CC(C)C#CCF;OVYANSITVGEEAT-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158625;MM158625;CC(C#CCF)C=CF;QWYQMJAKUITPHM-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158626;MM158626;CC=CC(N)C#CCC;IHXGOOXRSMTSRL-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158627;MM158627;CC=CC(N)C#CCF;OCZCQPCIQUCEGQ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158628;MM158628;CC=CC(O)C#CCC;KPHYKIHOOFRIMF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158629;MM158629;CC=CC(O)C#CCF;OCXQQYJIUAFOHH-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158630;MM158630;CCC#CC(O)C=CF;RJUHFQCLLZGETE-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158631;MM158631;OCC#CC(O)C=CF;UQKZAJDKCMMJPJ-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158632;MM158632;CC=CC(F)C#CCC;CSFQQIMRHYGQBY-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158633;MM158633;CC=CC(F)C#CCN;HKGPOSGHKBFTLV-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158634;MM158634;CC=CC(F)C#CCO;INWZWODWEBDXOT-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158635;MM158635;CC=CC(F)C#CCF;FTAVOEQVRGNTOH-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158636;MM158636;CCC#CC(F)C=CF;CHWSVTFVEICQKA-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158637;MM158637;NCC#CC(F)C=CF;NBPUXAMXFIADLN-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158638;MM158638;OCC#CC(F)C=CF;BGCJPTHPTSQRIG-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158639;MM158639;CCC#CC(C)C=NN;KORLUZWRCSKVQI-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158640;MM158640;CC(C#CCF)C=NN;BTGLGIIUSYUIOC-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158641;MM158641;CCC#CC(C)C=NO;VTZNHSFDQZEONE-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158642;MM158642;CC(C#CCO)C=NO;PZVFUBRZVOGSFG-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158643;MM158643;CC(C#CCF)C=NO;LFSCHBVLDLYVMV-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158644;MM158644;CN1CC1CC(=O)CC#N;IBOCFOFKQFKFDV-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158645;MM158645;C#CC(C)NNC(=O)C=C;PULSIXXOGVTUCZ-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158646;MM158646;N=c1nc(N)ncc(=O)[nH]1;IBMJANYFYAACMD-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158647;MM158647;CCC#CC(F)C=NN;JZBAXDPFYBLGFS-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158648;MM158648;NNC(=O)NC1(CO)CC1;RCSFFNGXXMJIIJ-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158649;MM158649;CCC#CC(F)C(C)=NO;RZMXEDHFQFWLKS-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158650;MM158650;Cn1cc(O)cn1;FQASUNMXKLPOOF-UHFFFAOYSA-N;98.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158651;MM158651;C=CC#CC(C)C=CC;PNJMXGDVOBXBHC-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158652;MM158652;CC=CC(C)C#CC=O;PXUZNNHRGZBFQN-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158653;MM158653;C=CC#CC(C)C=CF;VYTBJEDLHMEOQV-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158654;MM158654;CC(C#CC=O)C=CF;QABBPYUBJMEHBX-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158655;MM158655;CC(C#CC#N)C=CF;VTDGXELCDOUURO-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158656;MM158656;C=CC#CC(N)C=CC;XYIWQODSRFMLDW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158657;MM158657;C=CC#CC(O)C=CC;BJWXMAHHHHWBKT-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158658;MM158658;CC=CC(O)C#CC=O;RVDKKCLMYOYSRO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158659;MM158659;CC=CC(O)C#CC#N;WXJRRCMMEKKPGT-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158660;MM158660;C=CC#CC(O)C=CF;WMRSFKFPXWBZHB-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158661;MM158661;C=CC#CC(F)C=CC;ZKWCWMJEOSLYJF-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158662;MM158662;CC=CC(F)C#CC=O;SFMLXGMVUBNOSE-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158663;MM158663;CC=CC(F)C#CC#N;SDBBSZDYRKHZEX-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158664;MM158664;C=CC#CC(F)C=CF;OVNQFHFSWSIEEO-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158665;MM158665;O=CC#CC(F)C=CF;NPLMIORXBFADMF-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158666;MM158666;N#CC#CC(F)C=CF;BOFYRUIKYGNVDY-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158667;MM158667;C=CC#CC(C)C=NN;XJFMXPZQOPQNHW-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158668;MM158668;C=CC#CC(C)C=NO;QSYGOBFAOHTZNS-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158669;MM158669;C#CCn1cc(O)cn1;ZGIQYWSXZMDWMS-UHFFFAOYSA-N;122.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158670;MM158670;Nn1nc(O)c(O)nc1=O;OHWOPJHPFKSJFG-UHFFFAOYSA-N;144.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158671;MM158671;C#CC1(CC(=O)NN)CN1;FEKQYFTVXMEHRK-UHFFFAOYSA-N;139.16;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158672;MM158672;Nn1nc(CF)cc1O;RSFSLOCZZUUEDG-UHFFFAOYSA-N;131.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158673;MM158673;C#Cc1cc(O)n(C)n1;GRZRJECWKPADME-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158674;MM158674;C#CC#CC(C)C=CC;YLIXOYZMWZHYCF-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158675;MM158675;C#CC#CC(C)C=CF;CWAFOHLRXVLJLF-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158676;MM158676;C#CC#CC(O)C=CC;XHSCULCJPHHPST-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158677;MM158677;C#CC#CC(O)C=CF;DOQNYIWYWZWUDY-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158678;MM158678;C#CC#CC(F)C=CC;NAXHWLSOJNQFDZ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158679;MM158679;C#CC#CC(F)C=CF;HIXQECPDEMXGMU-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158680;MM158680;C#CC#CC(C)C=NN;ZYEKMNYKVRDWCO-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158681;MM158681;C#CC#CC(C)C=NO;ZONDOZCEQXFPBO-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158682;MM158682;C=CC1(NNC(N)=O)CC1;XKFQHDDOBIWIIK-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158683;MM158683;C=Cc1n[nH]c(CC)c1O;URZXDQSEYANVED-UHFFFAOYSA-N;138.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158684;MM158684;C#CC(N)=C(C)C(=O)NN;HKFKJRRWQTVSFE-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158685;MM158685;Cc1c(O)on(O)c1=NN;NBXCQHHNIIFVAZ-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158686;MM158686;C=C(C#CCC)C=CC;RATFGPRPGTYKEB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158687;MM158687;C=C(C#CCN)C=CC;VKDOEEFXVBAVRB-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158688;MM158688;C=C(C#CCO)C=CC;DVTPWKULAXYMHT-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158689;MM158689;C=C(C#CCF)C=CC;ISWIVTSNHXYYQK-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158690;MM158690;CC=CC(=O)C#CCC;BWUKSQGCGHZUEW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158691;MM158691;CC=CC(=O)C#CCF;IPFDCLQGSWFMOT-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158692;MM158692;CCC#CC(=O)C=CN;KOLRXZCNABJNNV-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158693;MM158693;NC=CC(=O)C#CCO;HFBIMGVEMAOTFL-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158694;MM158694;NC=CC(=O)C#CCF;IVTSUEMBWWGJBX-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158695;MM158695;C=C(C#CCC)C=NN;HQYUFTKQIFVKTK-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158696;MM158696;C=C(C#CCF)C=NN;MTIVPFIXJRLWPO-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158697;MM158697;C=C(C#CCC)C=NO;MLEAMVBZHWSSBO-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158698;MM158698;C=CC#CC(=C)C=CC;LVSGRLYSINTWJE-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158699;MM158699;C=C(C#CC=O)C=CC;XQQJMYCKQVJAKL-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158700;MM158700;C=C(C#CC#N)C=CC;KHWQYAKCMFKVCL-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158701;MM158701;C=CC#CC(=C)C=CF;LNDAXCGXXUEVOX-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158702;MM158702;C=C(C#CC=O)C=CF;SGIRBZHCXWEOJN-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158703;MM158703;C=C(C#CC#N)C=CF;JGAFKUJEPYFTRV-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158704;MM158704;C=CC#CC(=O)C=CC;VAHKIUHXGZNRPH-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158705;MM158705;CC=CC(=O)C#CC=O;WWELUTXALTYQKV-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158706;MM158706;CC=CC(=O)C#CC#N;SWUXBGGHZQVRGZ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158707;MM158707;C=CC#CC(=O)C=CF;SZYXZJJCYBHMMP-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158708;MM158708;O=CC#CC(=O)C=CF;GVPOJQSYQNWOAF-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158709;MM158709;N#CC#CC(=O)C=CF;IJXDKXFDSJVEDE-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158710;MM158710;C=CC#CC(=C)C=NN;RPNMWDHMMYZUAK-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158711;MM158711;C=CC#CC(=C)C=NO;AUYPGBNCVXQGJZ-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158712;MM158712;C#CC#CC(=C)C=CC;CVLXVNZGEOITIV-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158713;MM158713;C#CC#CC(=C)C=CF;LDWZDJVACGARTC-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158714;MM158714;C#CC#CC(=O)C=CC;YDMUHIAYYANMLJ-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158715;MM158715;C#CC#CC(=O)C=CF;QULBKRZZPVVLOW-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158716;MM158716;C#CC#CC(=C)C=NN;RTKAVTNSHBTQRH-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158717;MM158717;C#CC#CC(=C)C=NO;BPSFRRYRUHFUAK-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158718;MM158718;CC#CC(C)C#CCC;KTJCIGUAHXASNO-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158719;MM158719;CC#CC(C)C#CCN;BZNCCGVSNKHNEQ-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158720;MM158720;CC#CC(C)C#CCO;WNSIWUGIFVLURI-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158721;MM158721;CC#CC(C)C#CCF;MPKYRLUNBXDMTE-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158722;MM158722;CC#CC(O)C#CCC;WZAORBDGZYXRCR-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158723;MM158723;CC#CC(O)C#CCF;BFUUBHIOBSFYIR-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158724;MM158724;CC#CC(F)C#CCC;LYGYYBQVWPXWAA-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158725;MM158725;CC#CC(F)C#CCN;SPNHFKFXQLAGMD-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158726;MM158726;CC#CC(F)C#CCO;ZYVHVWRAVHZLGX-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158727;MM158727;CC#CC(F)C#CCF;NZYBXRJMEVQQRW-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158728;MM158728;C=CC#CC(C)C#CC;OPVPMRPJOABXHI-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158729;MM158729;CC#CC(C)C#CC=O;QFRCFGTXGCONRI-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158730;MM158730;CC#CC(C)C#CC#N;IFFMSXVZGPDART-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158731;MM158731;C=CC#CC(O)C#CC;AONYJYVOOFAMFH-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158732;MM158732;CC#CC(O)C#CC#N;WKDFMEKGLXZZGI-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158733;MM158733;C=CC#CC(F)C#CC;IVZAYMAERDWFIS-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158734;MM158734;CC#CC(F)C#CC=O;BNLQQZDVYGRYSP-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158735;MM158735;CC#CC(F)C#CC#N;CKTGWFGAIKANJO-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158736;MM158736;C#CC#CC(C)C#CC;XAFUIKBCBOAZMQ-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158737;MM158737;C#CC#CC(O)C#CC;OFYAREWSRHYNIU-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158738;MM158738;C#CC#CC(F)C#CC;HTSDVDVYIUPPFH-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158739;MM158739;C=C(C#CC)C#CCC;FGLUVXYHHHPMGF-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158740;MM158740;C=C(C#CC)C#CCN;PTGURQFLEGAUGB-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158741;MM158741;C=C(C#CC)C#CCO;UILYTAACQKCMEF-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158742;MM158742;C=C(C#CC)C#CCF;GLRIEVNKMVTZRI-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158743;MM158743;CC#CC(=O)C#CCC;WTZRJTQZFFLRAY-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158744;MM158744;CC#CC(=O)C#CCO;GYEHFTSHCRWCFO-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158745;MM158745;CC#CC(=O)C#CCF;LNUWTLVJBLIOIY-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158746;MM158746;C=CC#CC(=C)C#CC;MWQJPHAPXGUACG-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158747;MM158747;C=C(C#CC)C#CC=O;YZXFYFDZUOGZAW-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158748;MM158748;C=CC#CC(=O)C#CC;ASVQUDJZKCZAOP-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158749;MM158749;CC#CC(=O)C#CC=O;XJIXKOQUAQYREJ-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158750;MM158750;C#CC#CC(=O)C#CC;GTWHOASVSKYTDX-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158751;MM158751;CCC=C(C)CCCC;MRVHCIQKWVEYFC-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158752;MM158752;CCC=C(C)CCCN;DPCGTCJQIZRRPO-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158753;MM158753;CCC=C(C)CCCF;ZOJNUFHBXHSHHC-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158754;MM158754;CCCCC(C)=CCN;GHKQNVIWHCJNFP-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158755;MM158755;CCCCC(C)=CCO;IIFRHZRUHAELRO-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158756;MM158756;CC(=CCF)CCCN;BQDIDCCTIUGQHU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158757;MM158757;CC(=CCF)CCCF;CHXDITUTGAGYMA-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158758;MM158758;CCC=C(F)CCCC;BTDOCGFDTFXSRH-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158759;MM158759;CCC=C(F)CCCN;ZGLABPJTQQNDNI-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158760;MM158760;NCC=C(F)CCCN;LHSGHDIODFZMDG-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158761;MM158761;NCC=C(F)CCCF;PSSFLPTUFRVVNF-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158762;MM158762;NCCCC(F)=CCF;QECFEYQBAABRBL-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158763;MM158763;FCC=C(F)CCCF;HAKPQWPEBRFLGS-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158764;MM158764;CCC=C(C)CCNC;HANHVXGOKGYLDS-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158765;MM158765;CNCCC(C)=CCO;KBWATIUWHOATFD-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158766;MM158766;CNCCC(C)=CCF;YYAZLZYNYWKJCX-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158767;MM158767;CNCCC(F)=CCN;SALXBTLDDBPRRD-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158768;MM158768;CCC=C(C)CCOC;KCYALQQMJMVPFT-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158769;MM158769;COCCC(C)=CCO;TXRGRGVUXWBYGR-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158770;MM158770;CCC=C(F)CCOC;LREQSSXZBLCFCQ-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158771;MM158771;COC=C(C)CCCN;PTADIMDYTCQWSJ-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158772;MM158772;CCNNC(=O)N(N)CC;CMHWJKSXWFPBEI-UHFFFAOYSA-N;146.19;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158773;MM158773;COC=C(F)CCCO;BPKNFYSMYVYMPU-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158774;MM158774;CNCCC(C)=COC;IGPITKULNSQJRT-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158775;MM158775;COC=C(C)CCOC;UAJFDFQYMOIQKX-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158776;MM158776;COC=C(F)CCOC;XMWLZOHYFQGUEE-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158777;MM158777;CCC=C(C)CNCC;HFSNVBDXCGLGDD-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158778;MM158778;CCNCC(C)=CCO;ICEAJHKPQUANBO-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158779;MM158779;CCNCC(C)=CCF;BQIBITKMSNWHLV-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158780;MM158780;CCC=C(C)COCC;DMJICFYPJGSGKW-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158781;MM158781;CCOCC(C)=CCN;XBVDFYYSAXVKFT-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158782;MM158782;CCC=C(F)COCC;PZELFNOTGNCGGJ-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158783;MM158783;CCOCC(F)=CCO;ZYEWPPBAOSRKKG-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158784;MM158784;CCOCC(C)=COC;SQYAIPBISYGKEA-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158785;MM158785;CCOCC(F)=COC;DCQZTXXFLMDOAP-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158786;MM158786;CCCCC(C)=NNC;JOTJPWIJCUCDPW-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158787;MM158787;CNN=C(C)CCCF;GXJMBZQGXVRQBJ-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158788;MM158788;CCCCC(C)=NOC;RTAUSARJKDFNRW-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158789;MM158789;CON=C(C)CCCF;AGHGOLYMHRASTF-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158790;MM158790;COCCC(C)=NOC;APAZDKSKHJYWAI-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158791;MM158791;CCOCC(C)=NNC;LVAQBZRTSMWCOA-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158792;MM158792;CCOCC(C)=NOC;CLEMJICPPVEWKQ-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158793;MM158793;CCCN=C(C)NCC;JFDBVDNKEAHNFM-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158794;MM158794;CCN=C(C)NCCF;MZSSHALBTBJGAG-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158795;MM158795;CNN=C(C)NCCN;PYOBALGPLHCOOL-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158796;MM158796;CNN=C(C)NCCO;DASGYEJDZNQINN-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158797;MM158797;CNN=C(C)NCCF;NBCGIAOBCBBJHP-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158798;MM158798;CCCN=C(C)NOC;KZNFPGDCKHFNHP-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158799;MM158799;COC=CN(C)C(=O)NN;WODHXASVNCQDKR-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158800;MM158800;CCC=C(C)OCCC;KGXWJISLEXFARC-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158801;MM158801;CCC=C(C)OCCN;AETASFXLMXMVPM-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158802;MM158802;CCC=C(C)OCCO;GHJCIUDNYVCMBR-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158803;MM158803;CCC=C(C)OCCF;UHMATKBSOPIGGS-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158804;MM158804;CCCOC(C)=CCN;LRIAIOCOFYXWLU-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158805;MM158805;CC(=CCN)OCCN;MKBPCRVKMWPELN-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158806;MM158806;CC(=CCO)OCCF;GGFGMWMQKPEDRW-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158807;MM158807;COCOC(C)=CCN;ZYGPVVUPZBYHTK-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158808;MM158808;COCOC(C)=CCF;XAPAZXUOYRRDQB-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158809;MM158809;COC=C(C)OCCF;XGGSAIFYXPHRRO-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158810;MM158810;COC=C(C)OCOC;HEWOOWVDRNMHHL-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158811;MM158811;CC=CC#CCC(=O)NN;APSPBDHCJNVBSJ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158812;MM158812;C#CC(O)C=NOCCC;VKXHZPAYHDMCPW-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158813;MM158813;CCCOC(C)=NOC;IERBIOIIPALSGL-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158814;MM158814;CON=C(C)OCCN;HEGVNWBPCWVKHX-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158815;MM158815;CON=C(C)OCCF;XBWOIJRHYSKQAW-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158816;MM158816;C=CCCC(C)=CCC;GVYCMHOLOGRZPH-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158817;MM158817;CCC=C(C)CCC=O;IOMQQIPXIIKKDO-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158818;MM158818;C=CCCC(C)=CCO;MSQFYBKYYIVVAG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158819;MM158819;CC(=CCO)CCC#N;PWGHVSSIMFRLDC-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158820;MM158820;CC(=CCF)CCC=O;STDJJXRUBUQNRO-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158821;MM158821;C=CCCC(F)=CCC;RHOCLWXJVHUZBP-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158822;MM158822;CCC=C(F)CCC=O;XETGUISUMKJULX-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158823;MM158823;CCC=C(F)CCC#N;VADPURLCHZEZDV-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158824;MM158824;C=CCCC(F)=CCN;WWKBNPGNXMQLLS-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158825;MM158825;O=CCCC(F)=CCF;BJKBJYVOLOZMRE-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158826;MM158826;COC=C(C)CCC#N;ORCXPGHSFDRWIB-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158827;MM158827;COC=C(F)CCC#N;DABJOFFZEUSRPI-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158828;MM158828;CC(=CCN)CNC=N;ZBMANGVGIAWPIZ-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158829;MM158829;CC(=CCN)CNC=O;FFWFFCJOFNQWCP-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158830;MM158830;CC(=CCO)CNC=N;VAAUSFRGNJGEIP-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158831;MM158831;C=NOC(C#N)C(O)CO;QWNCVAIJYGATPX-UHFFFAOYSA-N;144.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158832;MM158832;CCC=C(F)CNC=N;QMKUJWKZZQYEAS-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158833;MM158833;N=CNCC(F)=CCF;HAVJXLBTZAQNPM-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158834;MM158834;C=NNCC(C)=CCC;GXWLJVRKATYOOO-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158835;MM158835;COC=C(F)CNC=N;ZDAVVBSHOFRTQM-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158836;MM158836;C=COCC(C)=CCC;YHJGZUMFAPBABI-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158837;MM158837;C=COCC(C)=CCN;SIBKSQUHHKOYTR-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158838;MM158838;CC(=CCF)COC=O;FHYKGUFVDSZXOI-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158839;MM158839;C=COCC(F)=CCO;FHEHQKVZQIIWMR-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158840;MM158840;C=NOCC(C)=CCC;ADNUWTBZPYROBS-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158841;MM158841;C=COCC(C)=COC;LKOULPMAEXPITF-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158842;MM158842;COC=C(C)COC=O;IFVHIOYFRCVHPQ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158843;MM158843;C=COCC(F)=COC;GTNHCQBMCSXPDK-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158844;MM158844;C=NOCC(C)=COC;LFFCECBQFCOHDM-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158845;MM158845;C=NOCC(F)=COC;NHCVVYRQIVWBCL-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158846;MM158846;C=CCCC(C)=NNC;IDLYTGWEGWILCB-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158847;MM158847;C=CCCC(C)=NOC;BFOGQTIDEWGWHB-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158848;MM158848;NNC(=O)N1CC1;RUVHRFRPRIQJLL-UHFFFAOYSA-N;101.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158849;MM158849;CON=C(C)CCC#N;ZHFJGBIVCBJRGT-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158850;MM158850;CNN=C(C)CNC=N;RSZFKFNDWVYUPM-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158851;MM158851;NNC(=O)C=CCF;VRNQPLVQONGQBC-UHFFFAOYSA-N;118.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158852;MM158852;C=NOCC(C)=NNC;IBAFGBRJKDDJBI-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158853;MM158853;C=COCC(C)=NOC;OKHLUDPNDYBIMF-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158854;MM158854;C=NOCC(C)=NOC;AVNXDJGNNAZZTC-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158855;MM158855;CCN=C(C)NCC=O;BKQMNLASYVOANV-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158856;MM158856;C=CCNC(C)=NNC;FRMCAHVIBHKMFB-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158857;MM158857;CCN=C(C)NNC=N;UTMDKFFETXAWSI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158858;MM158858;CNN=C(C)NNC=N;JPHWNDYBKRWCKF-UHFFFAOYSA-N;129.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158859;MM158859;CON=C(C)NNC=N;MCCYZVIOEACWLY-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158860;MM158860;C#CCc1ncc[nH]1;VWWMOCYRKJTHHC-UHFFFAOYSA-N;106.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158861;MM158861;C=CCOC(C)=CCC;PJKOVEZBYXARBD-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158862;MM158862;CCC=C(C)OCC=O;FOWMHMFEYXAJBU-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158863;MM158863;C=CCOC(C)=CCN;YXGCKKLBYUQBSX-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158864;MM158864;CC(=CCF)OCC=O;JNVWKWSFGCVXTI-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158865;MM158865;C=CCOC(C)=COC;IIFIMYOGTABYTG-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158866;MM158866;COC=C(C)OCC#N;GQEPOCFVVUTXOC-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158867;MM158867;C=CCOC(C)=NOC;ZKHHHVBEJQNYIZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158868;MM158868;C=CC(O)(C=NN)CO;GVWYATFNJZBMCB-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158869;MM158869;CNN=C(C)ONC=O;HPDXGISRPWLYNW-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158870;MM158870;C#CCCC(C)=CCC;IPEFTPDVIFDMMT-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158871;MM158871;C#CCCC(C)=CCO;UHUIGQPIQSZMCC-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158872;MM158872;C#CCCC(F)=CCC;BDHUXAIXQXEQGM-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158873;MM158873;C#CCCC(F)=CCN;MLEOHWVYPNHIBJ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158874;MM158874;C#CCCC(F)=CCO;DIKVKSDLXOUGTR-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158875;MM158875;C#CCCC(C)=COC;BMGGSLJIJRJWCK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158876;MM158876;C#CCCC(C)=NOC;NBSKBFMEFUOXPE-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158877;MM158877;C#CCNC(C)=NCC;USGOLGDTZJOOFJ-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158878;MM158878;C#CCOC(C)=CCC;XEHSAJHQZWXPFD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158879;MM158879;C#CCOC(C)=CCN;GKRCLEQVNKWMEO-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158880;MM158880;C#CCOC(C)=COC;YUHIKGXCBOEXOH-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158881;MM158881;C=C(CF)CNNC=O;KGMPZFKKZZITOC-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158882;MM158882;C#CCOC(C)=NOC;AAOSVKIFFZBLGV-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158883;MM158883;C=CC=C(C)CCCC;YBPXZRWAVVJHBP-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158884;MM158884;C=CC=C(C)CCCN;OJARHJKRKKCPBV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158885;MM158885;C=C(C=O)CNNC=O;DZNIVLRWPNRZNE-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158886;MM158886;C=CC=C(C)CCCF;HQMOPWLBSNZQJD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158887;MM158887;CCCCC(C)=CC=O;DVBAJGKNAHJKGX-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158888;MM158888;CCCCC(C)=CC#N;MKBWCEYLCHAHRG-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158889;MM158889;C#CC(=C)CNNC=O;WHPXKJTYGVKOIB-UHFFFAOYSA-N;124.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158890;MM158890;CC(=CC=O)CCCF;VXVMBRYTLNIQQE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158891;MM158891;CCCCC(N)=CC=O;ASLQCRJOIBDMQI-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158892;MM158892;NC(=CC=O)CCCO;SHNZBHSTHPQMJT-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158893;MM158893;C=CC=C(F)CCCC;DIGXQNVPDAIPJE-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158894;MM158894;C=CC=C(F)CCCN;FQFZYQKYPUDQMV-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158895;MM158895;C=CC=C(F)CCCO;DRHGOZYYSSMGQZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158896;MM158896;C=CC=C(F)CCCF;WUQDICKEJYSHEX-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158897;MM158897;CCCCC(F)=CC=O;FGFAHSSGELULLR-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158898;MM158898;CCCCC(F)=CC#N;RMXDKUKDPSKONK-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158899;MM158899;N#CC=C(F)CCCO;YQWZUFPOSHVENH-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158900;MM158900;N#CC=C(F)CCCF;ASZLMSIXRLITSF-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158901;MM158901;C=CC=C(C)CCNC;PHHOBKVGKJCZAB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158902;MM158902;CNCCC(C)=CC=O;PWAMWRQFUDVCTA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158903;MM158903;C=CC=C(F)CCNC;XFQVDFZNIDJUGY-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158904;MM158904;C=CC=C(C)CCOC;VNSQHODDNKXBEY-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158905;MM158905;COCCC(C)=CC#N;AGZUEGIYVHXVJL-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158906;MM158906;COCCC(N)=CC=O;CPVHBIKWUYKMLH-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158907;MM158907;COCCC(N)=CC#N;CGPYDWCMANFMAO-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158908;MM158908;COCCC(F)=CC=O;HFMPNRXDWQVDCW-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158909;MM158909;COCCC(F)=CC#N;VQQCWINMFRKFAE-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158910;MM158910;C=CC=C(C)CNCC;XNTVRXTYTAGLGK-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158911;MM158911;CCNCC(N)=CC=O;ITKJFIOVTWTVRH-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158912;MM158912;C=CC=C(C)COCC;DBCSCDVDIFRELM-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158913;MM158913;C=CC=C(F)COCC;LYPDHNJGKBDBHO-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158914;MM158914;C=NN=C(C)CCCC;LWMUKNMTVWHARK-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158915;MM158915;C=NN=C(C)CCCN;AJUDQPAIGUYSDK-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158916;MM158916;CNC1=NC(=N)C(C)O1;MYUOESOZEPLJAV-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158917;MM158917;C=NN=C(C)CCOC;JWPWTCTXAYZPHI-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158918;MM158918;C=NN=C(C)COCC;MUFJTRDJRAXYSP-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158919;MM158919;CCCNC(C)=CC=O;ITFIPIVSCCVKIY-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158920;MM158920;CCCNC(C)=CC#N;UHGBOHLCMPJYQU-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158921;MM158921;CCCNC(N)=CC=O;VJKHZRPDGMUJGI-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158922;MM158922;NC(=CC=O)NCCO;HXBHSWCGOOLGRZ-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158923;MM158923;Cn1c(CO)cnc1O;XKAJUBNCZBHTDR-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158924;MM158924;CCCN=C(C)NC=N;ZOFHURAZKMJHHB-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158925;MM158925;CC(=NCCN)NC=N;YLWQYRLMHPCSQT-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158926;MM158926;CC(=NCCO)NC=N;XPAHKUYTPDHLTH-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158927;MM158927;CC(=NCCF)NC=N;BDGKUKFALXGADI-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158928;MM158928;CC(=NCCN)NC=O;BPKLURNKVLMPCV-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158929;MM158929;C#CC(O)C1(C=O)CN1;SMPHLABYEMZWLT-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158930;MM158930;COC(=O)NNC1CC1;VNRRAFMFKVIJGE-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158931;MM158931;CCON=C(C)NC=O;IBCFANOPOGXHLT-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158932;MM158932;O=CC#CC(O)C1CN1;TZXZLPQIWZMZSK-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158933;MM158933;C=CC=C(C)OCCC;UBBBBJMKZYWXAO-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158934;MM158934;C=CC=C(C)OCCN;SPAXTZXHLODZMU-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158935;MM158935;C=CC=C(C)OCCO;WYNNVVIFUUOUHW-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158936;MM158936;C=CC=C(C)OCCF;ZWDYWFZAEOUDSV-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158937;MM158937;CCCOC(C)=CC#N;BYDHHHYLPPIIJY-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158938;MM158938;CC(=CC=O)OCCF;JPVBKJRWUFEZCO-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158939;MM158939;CC(=CC#N)OCCF;JGGLCZBXFSRQIN-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158940;MM158940;CCCOC(N)=CC=O;TVGDYRCEOWZVGF-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158941;MM158941;NC(=CC=O)OCCO;VMCWPNZFFLTQMT-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158942;MM158942;C=NN=C(C)OCCC;MSZNXHAYPIQSIW-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158943;MM158943;C=NN=C(C)OCCN;GJAFQFAPBUXFCC-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158944;MM158944;C=NN=C(C)OCCF;GYBIJDHGBUDISL-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158945;MM158945;C=NN=C(C)OCOC;LZAAQBARZHDUCE-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158946;MM158946;C=CC=C(C)CCC=C;VKWACHLRGJKEPI-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158947;MM158947;C=CC=C(C)CCC=O;KVCMIXBQQKBSJL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158948;MM158948;C=CC=C(C)CCC#N;ZNXGFTHFQOSVKI-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158949;MM158949;C=CCCC(C)=CC=O;REAMCSFHUFZAHX-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158950;MM158950;CC(=CC#N)CCC=O;CCZCALOKLMITRA-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158951;MM158951;C=CCCC(N)=CC=O;RADDEXZWGARFFZ-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158952;MM158952;C=CC=C(F)CCC=C;VGTFJNOARQDIPA-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158953;MM158953;C=CC=C(F)CCC=O;PKDWXLIWROWCHZ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158954;MM158954;C=CC=C(F)CCC#N;REBGTDZKBZIXGQ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158955;MM158955;C=CCCC(F)=CC#N;HUQYYHBRGARCKJ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158956;MM158956;N#CC=C(F)CCC#N;CNNAMBSZLHJHAX-UHFFFAOYSA-N;124.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158957;MM158957;C=CC=C(C)CNC=N;PRDKZHCKFGGELH-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158958;MM158958;CNC(=O)NNCC(C)O;XZLYAUPUFZQTPT-UHFFFAOYSA-N;147.18;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158959;MM158959;N=CNCC(N)=CC=O;VOFYFXANVFEHNM-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158960;MM158960;N#CC=C(N)CNC=N;XXRVIKDKYLOSCD-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158961;MM158961;NNC(=NC(N)=O)OC=O;JUYLGLVNGOZSBA-UHFFFAOYSA-N;146.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158962;MM158962;C=CC=C(F)CNN=C;NNKYYTDRYJKSQV-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158963;MM158963;CCNC(=O)NNCCO;NGKCNCKXMGHAGI-UHFFFAOYSA-N;147.18;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158964;MM158964;C=CC=C(C)COC=C;JVPNMCCHUMKRJC-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158965;MM158965;C=CC=C(C)COC=O;SSRUBRKZMKWCGG-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158966;MM158966;CC(=CC=O)COC=O;WCLDEUKGZDDKKQ-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158967;MM158967;CC(=CC#N)COC=O;MBEMECBSDNNSRN-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158968;MM158968;NC(=CC=O)COC=O;HQOVAFQQYCWVFV-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158969;MM158969;C=CC=C(F)COC=C;BVQCWEQAFKOAKW-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158970;MM158970;N#CC=C(F)COC=O;JODNKLLOVFDAFL-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158971;MM158971;C=CC=C(C)CON=C;SHMIXKWMHTZDDS-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158972;MM158972;C=NOCC(C)=CC#N;FYLHRXLRVSDRDP-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158973;MM158973;C=NOCC(N)=CC=O;YVDNSZQQBBWBMY-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158974;MM158974;C=CC=C(F)CON=C;WNPAGBIQKJPROS-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158975;MM158975;C=NOCC(F)=CC#N;URGCCXZRZNTEPK-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158976;MM158976;NN=CC(O)C#CCCO;ROLJOKLDOJXDDV-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158977;MM158977;C=NN=C(C)CCC#N;JMHAZESZNJRUPQ-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158978;MM158978;C=NN=C(C)CNN=C;JATBYMYRWYPTMD-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158979;MM158979;C=COCC(C)=NN=C;CCXOXJCGEWLJAH-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158980;MM158980;C=NN=C(C)COC=O;DMSAEMFKGNRRHF-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158981;MM158981;C=NN=C(C)CON=C;GKWARCYOQVGHJE-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158982;MM158982;C=CCNC(C)=CC=O;KMVOORIWMNQCPD-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158983;MM158983;N=CNNC(N)=CC=O;IWJFQFIDDLGWPM-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158984;MM158984;NC(=CC=O)NNC=O;NQWNXMQWIIXSNV-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158985;MM158985;C=CCN=C(C)NC=N;ZBXUGPNLWXNWJA-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158986;MM158986;CC(N=CN)=NCC=O;VUJJRNLWFYRSCX-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158987;MM158987;CC(=NCC=O)NC=O;SLXHLGVBTSIZLW-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158988;MM158988;CC(=NCC#N)NC=O;DIBPPLLXYRWFNU-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158989;MM158989;NN=CC(O)C#CCCF;ZUQRYAWLRGCDDD-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158990;MM158990;CC(=NNC=O)NC=N;ACYLPYFMEQOUEU-UHFFFAOYSA-N;128.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158991;MM158991;C=NN=C(C)NNC=N;GAFPHIUVWDABPY-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158992;MM158992;CC(=NOC=O)NC=O;ZDKHBFVYKRSXJN-UHFFFAOYSA-N;130.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158993;MM158993;C=CC=C(C)OCC=C;GWXJXHZZDCGKPK-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158994;MM158994;C=CC=C(C)OCC#N;JEDYGTRPOZSMPU-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158995;MM158995;C=CCOC(C)=CC=O;ZHMXQIGUTWWLEX-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158996;MM158996;C=CCOC(C)=CC#N;GCBDKDARSCPDQA-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158997;MM158997;C=CCOC(N)=CC=O;CDTWBTPJZAEPRX-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158998;MM158998;C=CCOC(C)=NN=C;MRIUJOHPAPGXGO-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM158999;MM158999;C=NN=C(C)OCC=O;QPVUYZMNASZRLX-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159000;MM159000;C#CCCC(C)=CC=C;MBCTVXXTBKPQND-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159001;MM159001;C#CCCC(C)=CC=O;PYYRSGRUNQVVOV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159002;MM159002;C#CCCC(C)=CC#N;CJJVQPDFDKZXBO-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159003;MM159003;C#CCCC(F)=CC=C;GPNWODXWNFEIOV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159004;MM159004;C#CCCC(F)=CC=O;CPOAYDKBWWEINK-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159005;MM159005;C#CCCC(F)=CC#N;SGPFRTFKQKQILA-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159006;MM159006;C#CCCC(C)=NN=C;JNKAYDNNKUKYCU-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159007;MM159007;C#CCNC(C)=CC=O;JJJZJBPUALLVMC-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159008;MM159008;C=CCC#CC(O)C=NN;LZNXAXSLBOFREZ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159009;MM159009;C#CCOC(C)=CC=C;UHITXIUGXLTVKY-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159010;MM159010;C#CCOC(N)=CC#N;BSRDKHIENXOVLV-UHFFFAOYSA-N;122.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159011;MM159011;C#CCOC(C)=NN=C;TZCXSJYCZQDREB-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159012;MM159012;C#CC=C(C)CCCC;SCLBBMNUKJMPRX-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159013;MM159013;C#CC=C(C)CCCN;XPPZIBIXBRYVTQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159014;MM159014;Cn1cc(NC=N)nc1O;ACOGWDXCPPSMAX-UHFFFAOYSA-N;140.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159015;MM159015;C#CC=C(C)CCCF;ONXTZZHOYUXIIG-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159016;MM159016;C#CC=C(F)CCCC;OTICGNPWXVKTBU-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159017;MM159017;C#CC=C(F)CCCN;JOZUPDSHAVZKCA-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159018;MM159018;C#CC=C(F)CCCO;GWGLPZVELVJOKO-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159019;MM159019;C#CC=C(C)CCNC;CXQPBUYKKPTGLX-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159020;MM159020;C#CC=C(F)CCNC;QUKCHSZTGRERJQ-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159021;MM159021;C#CC=C(C)CCOC;IXDFIKYVAPIROG-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159022;MM159022;C#CC=C(F)CCOC;SQOVABFFBSZYKF-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159023;MM159023;C#CC=C(C)CNCC;ZCTAEMJCBJEZSY-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159024;MM159024;C#CC=C(C)OCCC;RQWICLFRBGOJQI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159025;MM159025;C#CC=C(C)OCCN;BLGUXYYJGITWKF-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159026;MM159026;C#CC=C(C)OCCF;MKHSMLZNKLGCHP-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159027;MM159027;C#CC=C(C)OCOC;CUGMHDKSYDNTBK-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159028;MM159028;C#CC=C(C)CCC=C;WPSPUDCCJAJQDN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159029;MM159029;C#CC=C(C)CCC=O;YUVRSGQGDLJXTO-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159030;MM159030;C#CC=C(C)CCC#N;XMDRTIRRRJZVIH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159031;MM159031;C#CC=C(F)CCC=C;WOECQLWYFZFUTM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159032;MM159032;C#CC=C(F)CCC#N;JAVAGNXKUMZQRB-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159033;MM159033;C#CC=C(C)CNC=N;WBNJUICMQYCHJI-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159034;MM159034;C=CC(O)(C=NNC)CO;SUGUYDQGOZJLEB-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159035;MM159035;C#CC=C(F)CNC=N;DPCAOOFQMVROIF-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159036;MM159036;C#CC=C(F)CNC=O;YALAYEYYMBIFMF-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159037;MM159037;C#CC=C(F)CNN=C;GMBSQSXJMZGPLD-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159038;MM159038;C#CC=C(C)COC=C;DGCJXYRIRMUBIB-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159039;MM159039;C#CC=C(C)COC=O;KDCZTIHUXOJURV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159040;MM159040;C#CC=C(F)COC=C;BHDBNWIJPSHAEM-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159041;MM159041;C#CC=C(F)COC=O;AWMLTQBHUHLBDF-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159042;MM159042;C#CC=C(C)CON=C;OBDYDEFTOVBDHI-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159043;MM159043;C#CC=C(F)CON=C;RURZOIUSQLDLHA-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159044;MM159044;C#CC=C(C)OCC=C;XFJSPNRFHAICMO-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159045;MM159045;C#CC=C(C)OCC=O;WWPMMFSDEIXBSV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159046;MM159046;C#CC=C(C)CCC#C;ZVJOUTFBCVJJIM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159047;MM159047;C#CC=C(F)CCC#C;DYOBXMNMKIGYFL-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159048;MM159048;C#CC=C(C)OCC#C;QMKHYEDFHYXPQJ-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159049;MM159049;CC=CCC(C)=CCC;BBONLCIMCPIJBT-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159050;MM159050;CC=CCC(C)=CCN;IXXVXCHDANECQD-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159051;MM159051;CC(=CCN)CC=CF;BWJJMZULXPTYHQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159052;MM159052;CC(=CCF)CC=CF;PYXCYYARWVQEGQ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159053;MM159053;CC=CCC(F)=CCC;LFJARIPVHCWIGE-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159054;MM159054;CCC=C(F)CC=CF;YXENVGQBGOSOFV-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159055;MM159055;CCC=C(C)CC=NN;JWHGSZXTTUGWNN-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159056;MM159056;CCC=C(C)CC=NO;SSFKZXOLAKKKTG-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159057;MM159057;CCC=C(F)CC=NN;IWDGGEASMYLEAZ-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159058;MM159058;COC=C(C)CC=NO;WSEHTNHUSCVAAY-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159059;MM159059;COC=C(F)CC=NN;SKRVJJOQEKBGEG-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159060;MM159060;COC=C(F)CC=NO;WYDMFGKBHLHYSX-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159061;MM159061;CC=CCC(C)=NOC;UVAJWQIAXCBSLQ-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159062;MM159062;CON=C(C)CC=CF;XSGRJFHJDYZGGK-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159063;MM159063;CC(=NN)C(O)C(O)CF;AQTYFQJGQPQGKK-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159064;MM159064;CON=C(C)CC=NO;NBSNWHDJSOZTLU-UHFFFAOYSA-N;130.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159065;MM159065;CCC=C(C)N=CNC;GJNJDMSVUXTBHD-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159066;MM159066;CCC=C(C)N=CNN;YYUJCWIYTGMGRD-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159067;MM159067;CN=CNC(C)=CCO;KRPLRBADXICJHD-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159068;MM159068;CNC=NC(C)=COC;WNEJVFXWSAXRLG-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159069;MM159069;CCN=C(C)NC=CF;AMWHDVVROGDAML-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159070;MM159070;CCN=C(C)N=CNC;GLCJZTLGZHTZCV-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159071;MM159071;CCNC(C)=NC=NO;DNRBZQPXEZVLOJ-UHFFFAOYSA-N;129.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159072;MM159072;CNNC(C)=NC=NO;MBGSWJRRZXILLT-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159073;MM159073;CON=C(C)NC=CF;YAZYRUGJEYMGSN-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159074;MM159074;CC=NNC(=N)C(O)CF;SSHPZTWVHFTWIJ-UHFFFAOYSA-N;147.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159075;MM159075;CC=COC(C)=CCC;HIDGDNFOUSRDFO-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159076;MM159076;CCC=C(C)OC=CF;SHUUQVCYTISOGJ-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159077;MM159077;CC(=CCN)OC=CF;JHPVJGJAOGGGFJ-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159078;MM159078;CC=COC(C)=CCO;AMBKSXWXCDIRTG-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159079;MM159079;CC(=CCO)OC=CF;UBWQGWVNIZKQKS-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159080;MM159080;C=C(NC=NN)C(=O)NN;KRRVFAIXYCYFCU-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159081;MM159081;CC=COC(C)=COC;QZFLHZIWPDFXKV-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159082;MM159082;COC=C(C)OC=CF;YGLOKXZHDNHGEX-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159083;MM159083;CN(C=CCO)C(=O)NN;BOTRAPRRXKKGGL-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159084;MM159084;CNC(=O)NNCCOC;GPSQZFIXSMOWCY-UHFFFAOYSA-N;147.18;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159085;MM159085;CC=COC(C)=NOC;GYBBVDULWXUNLY-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159086;MM159086;CON=C(C)OC=CF;QBIZMNQUTHKFAO-UHFFFAOYSA-N;133.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159087;MM159087;CC=NOC(C)=NOC;YOSWCZBMKOOKOO-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159088;MM159088;C=CC=C(C)CC=CC;VTGZZFMNSSFIST-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159089;MM159089;C=CC=C(C)CC=CF;DOPIXHZWZMVLGH-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159090;MM159090;CC=CCC(C)=CC=O;UXGYWDFWFOFQRH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159091;MM159091;CC=CCC(C)=CC#N;UDEUUDAAARFMFA-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159092;MM159092;CC(=CC=O)CC=CF;SHZWIQZUTKUKBT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159093;MM159093;CC(=CC#N)CC=CF;MPHFWCXGXSWYDX-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159094;MM159094;CC=CCC(N)=CC=O;CEVHSCHQQNEIED-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159095;MM159095;CC=CCC(N)=CC#N;JBCUUJLDVGNRHL-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159096;MM159096;NC(=CC=O)CC=CF;MJMIKLVVTXXVAR-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159097;MM159097;C=CC=C(F)CC=CC;DGDIKBPLLLDYPG-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159098;MM159098;C=CC=C(F)CC=CF;VXYMYIBKKNHAFD-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159099;MM159099;N#CC=C(F)CC=CF;TUPUVIMIQUCJQT-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159100;MM159100;C=CC=C(C)CC=NO;JSVTXMXLPFXBBN-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159101;MM159101;CC(=CC#N)CC=NO;JMQHFYFXAFJQAV-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159102;MM159102;NC(=CC=O)CC=NO;YKCJIRXEYVHMPR-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159103;MM159103;C=CC=C(F)CC=NN;VRAJCDMFLFFEBV-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159104;MM159104;C=CC=C(F)CC=NO;GFUUNEDSQLDBBI-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159105;MM159105;N#CC=C(F)CC=NO;VCJJXRGYMOWIRL-UHFFFAOYSA-N;128.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159106;MM159106;C=NN=C(C)CC=CC;HVGGQFAKZRFINP-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159107;MM159107;C=NN=C(C)CC=CF;GZRSQFIKJPRZCW-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159108;MM159108;C=NN=C(C)CC=NN;NXKMOYNYKCRCRE-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159109;MM159109;C=NN=C(C)CC=NO;ZFRYJCAHHHITGM-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159110;MM159110;C=CC=C(C)N=CNN;NMKRTGHPELVNBR-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159111;MM159111;CN=CNC(C)=CC=O;XJXFEINUZSONJA-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159112;MM159112;COCCNNC(=O)OC;RPEFYUZOOGJIJK-UHFFFAOYSA-N;148.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159113;MM159113;COCC(CO)C(=O)NN;QJPIYTLMBIUUQQ-UHFFFAOYSA-N;148.16;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159114;MM159114;CC(=NC=NN)NC=N;HDELGDUSUCKZGN-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159115;MM159115;CC(=NC=NO)NC=N;PYJUWCKQAKXVLS-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159116;MM159116;CC=CN(NC)C(=O)NN;QXNIBGPZYZUZPO-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159117;MM159117;CC1C(O)C1NC(=O)NN;PCKVVQJILLUBQK-UHFFFAOYSA-N;145.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159118;MM159118;CC(=NC=NO)NC=O;HCPWKXQSIWOSMZ-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159119;MM159119;C=Cn1cnc(CC#N)c1;OOIIWTXJQNSJRQ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159120;MM159120;CC=NN=C(C)NC=O;HPSHPHKGAWSVME-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159121;MM159121;NNC(=O)CCCF;UCWXZHVSARFOFP-UHFFFAOYSA-N;120.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159122;MM159122;C=CC=C(C)OC=CF;QMWPIEAKKLJDGW-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159123;MM159123;CC=COC(C)=CC=O;OPBBKPHIUCFRQD-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159124;MM159124;CC(=CC#N)OC=CF;KCPUXUFZZNNZNK-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159125;MM159125;CC=COC(N)=CC=O;ASEKMSHEGGJQAW-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159126;MM159126;CC=COC(N)=CC#N;MFQARESSBVUYJX-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159127;MM159127;N#CC=C(N)OC=CF;SJTAPIPGUVWEQO-UHFFFAOYSA-N;128.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159128;MM159128;Nc1cc(NO)no1;SADVEJFDLHRKFA-UHFFFAOYSA-N;115.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159129;MM159129;C=CC=C(C)OC=NO;OMCVJJSPMUCOCO-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159130;MM159130;NC(=CC=O)OC=NO;QFGXMGSLTALIRT-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159131;MM159131;N#CC=C(N)OC=NO;WSMVXTPBFZOTAO-UHFFFAOYSA-N;127.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159132;MM159132;C=NN=C(C)OC=CC;ITUBJIIBMZKXRR-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159133;MM159133;C=NN=C(C)OC=CF;RTGWPXDAEYPLIW-UHFFFAOYSA-N;130.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159134;MM159134;C=NN=C(C)ON=CC;HTSJCHBFQSOYDW-UHFFFAOYSA-N;127.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159135;MM159135;C#CC=C(C)CC=CC;RHXBOIXGKBIXGU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159136;MM159136;C#CC=C(C)CC=CF;WARYPWSOJQYIRY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159137;MM159137;C#CC=C(F)CC=CC;RUHYEQBQFCQPOK-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159138;MM159138;C#CC=C(F)CC=CF;OQIUUWZLGBULLO-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159139;MM159139;C#CC=C(C)CC=NN;AMCYCKXWIUKLKN-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159140;MM159140;C#CC=C(C)CC=NO;XTCTUYCAPUNBDN-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159141;MM159141;C#CC=C(F)CC=NN;LNFZSVOIVDTJLU-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159142;MM159142;C#CC=C(F)CC=NO;LBHWXXYZALCHHL-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159143;MM159143;C#CC=C(C)OC=CC;GXQSIGHGPLUQEB-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159144;MM159144;C#CC=C(C)OC=CF;FJBLRQRYAKUMKS-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159145;MM159145;CC#CCC(C)=CCC;YFHFJDZEIWHNOQ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159146;MM159146;CC#CCC(C)=CCN;VBDVKRJEEQQEGK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159147;MM159147;CC#CCC(F)=CCC;YLRUOVICDPPWNY-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159148;MM159148;CC#CCC(F)=CCN;ARNHAIGOVJRJJE-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159149;MM159149;CC#CCC(C)=NOC;BBKBPZOKNSUGIV-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159150;MM159150;C=CC=C(C)CC#CC;XAXYYJLXMLSIDT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159151;MM159151;CC#CCC(C)=CC#N;IAHPMRGZYQRVRN-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159152;MM159152;CC#CCC(N)=CC=O;FLLCQJCAOHPRHP-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159153;MM159153;CC#CCC(N)=CC#N;AABVSCJLQIWMNJ-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159154;MM159154;C=CC=C(F)CC#CC;JOUMHEZBTCGKHR-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159155;MM159155;CC#CCC(F)=CC=O;DEXNWVYMKPMUNX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159156;MM159156;CC#CCC(F)=CC#N;KSJOJKBHSQBIMF-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159157;MM159157;C=NN=C(C)CC#CC;AWCPKHLZUCHZMA-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159158;MM159158;C#CC=C(C)CC#CC;JVGBXRLPUIKCRC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159159;MM159159;C#CC=C(F)CC#CC;BLBGCKBSWZIQNX-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159160;MM159160;CCC=CC(C)=CCC;SSZLTTJVXLWHMV-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159161;MM159161;CCC=C(C)C=CCN;ASIDTRAFPCNTJX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159162;MM159162;CCC=C(C)C=CCO;QFMGITRPZOYBOD-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159163;MM159163;CCC=C(C)C=CCF;SJXKIGUJVFLUNT-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159164;MM159164;CCC=CC(C)=CCN;SETMPKIJKMMMLA-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159165;MM159165;CC(C=CCF)=CCN;AMUXUXXGLSLXNL-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159166;MM159166;CCC=CC(C)=CCO;AWKMBHFZGDBERK-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159167;MM159167;CC(C=CCO)=CCO;CJLDJYQTEIVZIK-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159168;MM159168;CC(C=CCN)=CCF;QVQMGQHDZSXQKY-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159169;MM159169;CCC=CC(F)=CCC;RSPZZEDJBXYLJH-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159170;MM159170;CCC=C(F)C=CCN;DSSSXAFQIHXKDO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159171;MM159171;CCC=C(F)C=CCO;UBAFTONQLRBHRZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159172;MM159172;CCC=C(F)C=CCF;UBTZWAQLGDKDSQ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159173;MM159173;CCC=CC(F)=CCN;MKZYYDHTXXVKHW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159174;MM159174;NCC=CC(F)=CCN;ZYODGEPDEPNBCE-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159175;MM159175;NCC=CC(F)=CCF;MITDBXFIFQNIAW-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159176;MM159176;CCC=C(C)C=COC;OHTRKSMYZOJLOP-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159177;MM159177;CCC=C(F)C=COC;KNWNIEWSEVUHCJ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159178;MM159178;COC=CC(F)=CCO;CDNJGEKBJVEFIE-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159179;MM159179;COC=C(C)C=CCN;VCDZJFHZFUCFMR-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159180;MM159180;COC=C(F)C=CCO;WBUGLZUPGSZPPB-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159181;MM159181;COC=CC(C)=COC;OLIUTOLYZVOFGH-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159182;MM159182;COC=CC(F)=COC;ZOSKGKGKRMEIKT-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159183;MM159183;CCC=C(C)C=NNC;RQANDJDKYQMPBF-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159184;MM159184;CNN=CC(C)=CCN;NHFAZBDISUYNCL-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159185;MM159185;CCC=C(C)C=NOC;WUFUZRFGVACQTF-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159186;MM159186;CON=CC(C)=CCN;XZGNVMJEOUEIOM-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159187;MM159187;O=CCCNNC=O;JCHGGBDEQKRTGU-UHFFFAOYSA-N;116.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159188;MM159188;CNN=CC(C)=COC;FWMUEQYKBWIZCL-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159189;MM159189;COC=C(C)C=NOC;VNKNSZJIMQCJGO-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159190;MM159190;CNN=C(C)C=CCF;HYHROUSHFAUYPW-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159191;MM159191;CON=C(C)C=CCF;LQMIXHKSIPVKOM-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159192;MM159192;COC=CC(C)=NOC;SWJCGYHNVBMSBD-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159193;MM159193;CON=CC(C)=NOC;MIHIMHDNWHPVMF-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159194;MM159194;C=CC=CC(C)=CCC;TUIYJCVQHOAQSO-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159195;MM159195;CCC=C(C)C=CC=O;DZILTIIQBGJDEO-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159196;MM159196;CCC=C(C)C=CC#N;YQORXLRYLRYOMG-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159197;MM159197;C=CC=CC(C)=CCN;XXCJSLKDFVFQSQ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159198;MM159198;C=CC=CC(C)=CCO;SOJPLDWXANZFNE-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159199;MM159199;CC(C=CC#N)=CCO;BGOPNPQRSJDGAL-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159200;MM159200;CC(C=CC=O)=CCF;UVIXBQVLLAGJQL-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159201;MM159201;CC(C=CC#N)=CCF;YMEMQIYFSVDYOT-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159202;MM159202;C=CC=CC(F)=CCC;ZFUBOTIEDMDVEH-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159203;MM159203;CCC=C(F)C=CC=O;MNQIWPDCKYUSOA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159204;MM159204;CCC=C(F)C=CC#N;NBUMYSBCFWWAST-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159205;MM159205;C=CC=CC(F)=CCF;ZHECPQDJJMRXQK-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159206;MM159206;O=CC=CC(F)=CCF;FZJLPLVDKHEMSY-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159207;MM159207;N#CC=CC(F)=CCF;MSIUTQGMBVNTHW-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159208;MM159208;COC=C(C)C=CC#N;IJQIURZSMXOAPM-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159209;MM159209;C=CC=CC(F)=COC;KBKFVPHICCOSID-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159210;MM159210;COC=C(F)C=CC=O;HPCYLCHLSXLKEL-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159211;MM159211;COC=C(F)C=CC#N;LDJXBEOUHFPRIP-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159212;MM159212;C=NN=CC(C)=CCC;IYFYZYQGKWCLIB-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159213;MM159213;C=NN=CC(C)=CCN;MQUKZLFFWXJIEX-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159214;MM159214;CN=c1nnon1O;VXZSMCOOSRVTAA-UHFFFAOYSA-N;116.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159215;MM159215;C=NN=CC(F)=CCO;ZIYMHPDASACRRJ-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159216;MM159216;C=NN=CC(F)=COC;ZYZKZOJDSZDSLG-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159217;MM159217;CNN=C(C)C=CC#N;BMMIGCULFNWDFV-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159218;MM159218;C=CC=CC(C)=NOC;MFAGHGRMGPAIOY-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159219;MM159219;CON=C(C)C=CC=O;VPZMMFJIOJAEMH-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159220;MM159220;CON=C(C)C=CC#N;BWSOTHCBYIPUHG-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159221;MM159221;C=NN=CC(C)=NOC;YAEUZVNPWWGTRK-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159222;MM159222;C#CC=CC(C)=CCC;RRLNSNOWIITWCY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159223;MM159223;C#CC=CC(C)=CCN;XOUAGCXRGQZJTO-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159224;MM159224;C#CC=CC(C)=CCO;KYTOBCBKRDVMMP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159225;MM159225;C#CC=CC(C)=CCF;ILCDDKSAQPRZKW-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159226;MM159226;C#CC=CC(F)=CCC;WIPJUZZCUBOIQU-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159227;MM159227;C#CC=CC(F)=CCO;HTGGIVVUASOHMA-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159228;MM159228;C#CC=CC(F)=CCF;ZLYKKWLIZQBRRL-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159229;MM159229;C#CC=CC(F)=COC;HKPTUAPQCLUTHR-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159230;MM159230;C#CC=CC(C)=NOC;IOQFOFIIFIDLBG-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159231;MM159231;C=CC=C(C)C=CCC;BJCRPOCWQGCDGX-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159232;MM159232;C=CC=C(C)C=CCN;WLCVEAWUVAMRDY-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159233;MM159233;C=CC=C(C)C=CCO;AASGWDDELIKDSP-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159234;MM159234;C=CC=C(C)C=CCF;ZEKXUKQAYFVGRJ-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159235;MM159235;CCC=CC(C)=CC#N;JDCMLWLKCGZZCW-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159236;MM159236;CC(C=CCF)=CC=O;RMYZTGOWZLBQLF-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159237;MM159237;CC(C=CCF)=CC#N;MASIVEYCCFLTFI-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159238;MM159238;CCC=CC(N)=CC=O;MSRZEHKKXBZBFX-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159239;MM159239;NC(C=CCO)=CC=O;YBGQTZRKDQUUNT-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159240;MM159240;C=CC=C(F)C=CCC;PRMSWVLHJPSXJO-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159241;MM159241;C=CC=C(F)C=CCN;QGWSWXBDMPPCKL-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159242;MM159242;C=CC=C(F)C=CCF;GRJZPOBQVLXGME-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159243;MM159243;CCC=CC(F)=CC=O;JEEARRSRBCTUJE-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159244;MM159244;CCC=CC(F)=CC#N;IPTNIOMYHRCLFX-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159245;MM159245;N#CC=C(F)C=CCO;JMDPLWPUJUJWBW-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159246;MM159246;N#CC=C(F)C=CCF;FPWIDULNXCWOMU-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159247;MM159247;COC=CC(F)=CC#N;AQOHSPBHNICRLY-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159248;MM159248;C=CC=C(F)C=NNC;FJRAUQYBKNVOME-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159249;MM159249;CON=CC(C)=CC#N;VNVSVFHMDHVPNB-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159250;MM159250;C=CC=C(F)C=NOC;UJGPVCFZKWZYRT-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159251;MM159251;C=NN=C(C)C=CCC;YWLPQANCBNNEBK-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159252;MM159252;C=NN=C(C)C=CCN;YVGMTTRATLPBOR-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159253;MM159253;C=NN=C(C)C=CCO;SCCNUSSAJDKEKU-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159254;MM159254;C=NN=C(C)C=CCF;AWTIJJFKRDDZOB-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159255;MM159255;C=NNC(C)=CC=NC;IKPHZZMWUPCOHP-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159256;MM159256;C=NN=C(C)C=COC;LQSWLHBHQVPBDL-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159257;MM159257;C=NN=C(C)C=NOC;ZOQVVPGODMHCRD-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159258;MM159258;C=CC=CC(C)=CC=C;VGSSUGSICVJVMQ-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159259;MM159259;C=CC=C(C)C=CC#N;COGVWRWLDIAIJZ-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159260;MM159260;C=CC=CC(C)=CC=O;XLKDGHBGKJXBID-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159261;MM159261;CC(C=CC=O)=CC#N;JLCIXNJOACEPAM-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159262;MM159262;CC(C=CC#N)=CC=O;MQERGLHRXVWBFA-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159263;MM159263;C=CC=CC(N)=CC=O;IQZPDQAEWWVSED-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159264;MM159264;C=CC=CC(N)=CC#N;QOKVWOUATGNWHD-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159265;MM159265;NC(C=CC=O)=CC=O;HIYSQBWXNYRICH-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159266;MM159266;C=CC=C(F)C=CC=O;PVUSIDSZCYSVIP-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159267;MM159267;C=CC=C(F)C=CC#N;MLCSMHPRBZMSPW-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159268;MM159268;C=CC=CC(F)=CC#N;OXTYYDZBLCKWCM-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159269;MM159269;N#CC=C(F)C=CC=O;VJTJNCFRPSZTPE-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159270;MM159270;N#CC=CC(F)=CC=O;SVOBYKGGGYQAMY-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159271;MM159271;N#CC=CC(F)=CC#N;QTSXEZMQECOZQX-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159272;MM159272;C=CC=C(C)C=NN=C;IJEFPUQTWMXUTQ-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159273;MM159273;C=NN=CC(C)=CC=O;PNAFSVQUOBDBTB-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159274;MM159274;C=NN=CC(C)=CC#N;IBANEJYGHBJYSC-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159275;MM159275;C=CC=C(F)C=NN=C;PPVKAJGEJACFJW-UHFFFAOYSA-N;126.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159276;MM159276;C=NN=C(C)C=CC=O;PCWSZFHDEFKGDF-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159277;MM159277;C=NN=C(C)C=CC#N;VNMGHWIOJTVBBD-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159278;MM159278;C=NN=CC(C)=NN=C;GEVWSWOHBCULTA-UHFFFAOYSA-N;124.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159279;MM159279;C#CC=CC(C)=CC=C;JKQXNWATRNDBNI-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159280;MM159280;C#CC=CC(C)=CC=O;OBCQDESMLVGYJB-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159281;MM159281;C#CC=CC(C)=CC#N;LPLXAUSSYMBLAG-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159282;MM159282;C#CC=CC(N)=CC=O;OPZFBOINLQUVGS-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159283;MM159283;C#CC=CC(F)=CC=C;KUGZWHCPHDSOAN-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159284;MM159284;C#CC=CC(F)=CC=O;YZCKHVPYLCSRHY-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159285;MM159285;C#CC=CC(F)=CC#N;DFRJGKJVNTURBA-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159286;MM159286;C#CC=CC(C)=NN=C;NBLXYVXZOWPDNN-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159287;MM159287;C#CC=C(C)C=CCC;CUGQTXHKRLNCQP-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159288;MM159288;C#CC=C(C)C=CCN;XWYALNLOWFXCJC-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159289;MM159289;C#CC=C(C)C=CCO;KMMLLYTXXVMOKY-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159290;MM159290;C#CC=C(C)C=CCF;ILNFHNWMSBMPJC-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159291;MM159291;C#CC=C(F)C=CCN;IBUHQFGRLUNXSZ-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159292;MM159292;C#CC=C(F)C=CCO;PHPMYHZPJGRFOT-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159293;MM159293;C#CC=C(F)C=COC;YVQJSBXMTXUVCG-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159294;MM159294;C#CC=C(F)C=NNC;BLHGDZYQFVHYCK-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159295;MM159295;C#CC=C(C)C=NOC;RSAFKQVJGOJNJL-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159296;MM159296;C#CC=C(F)C=NOC;JOGUAPMWSKRSNA-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159297;MM159297;C#CC=C(C)C=CC=O;LVGITACTQDFJFF-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159298;MM159298;C#CC=C(C)C=CC#N;BRMRRNYHXFHFCZ-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159299;MM159299;C#CC=C(F)C=CC=C;HDWFPECGMIEWCZ-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159300;MM159300;C#CC=C(F)C=CC=O;DNBVZYXWSYHLGR-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159301;MM159301;C#CC=C(F)C=CC#N;TWRZLPCCARMUHF-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159302;MM159302;C#CC=C(C)C=NN=C;FJRHBVXBSFYEOX-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159303;MM159303;C#CC=CC(C)=CC#C;MTYKTTXUMAYGDA-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159304;MM159304;C#CC=CC(F)=CC#C;VJHCSZPFIPPNFA-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159305;MM159305;CCC#CC(C)=CCC;GUESSJYTOIPHLE-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159306;MM159306;CCC=C(C)C#CCN;ZTOSONWIQUPULB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159307;MM159307;CCC=C(C)C#CCO;KWJWOOLOAGLXAX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159308;MM159308;CCC=C(C)C#CCF;LRLNSNIYCKIMHR-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159309;MM159309;CCC#CC(C)=CCN;FXUMVPUYGUFJQL-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159310;MM159310;CC(C#CCN)=CCN;PNPYSMJVPKNKJM-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159311;MM159311;CC(C#CCF)=CCN;CSZGMOZEWASDQE-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159312;MM159312;CCC#CC(C)=CCO;WSWGTQPIOCMFFL-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159313;MM159313;CC(C#CCO)=CCO;JOSNBTOLFXAEPD-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159314;MM159314;CC(C#CCF)=CCO;LTJWEEBOFDFVEK-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159315;MM159315;CC(C#CCN)=CCF;NINLWSAYWYYJPR-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159316;MM159316;CC(C#CCO)=CCF;BTNKARAIVPQUKD-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159317;MM159317;CCC#CC(F)=CCC;NGDHWNKAGVTWBH-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159318;MM159318;CCC=C(F)C#CCN;RZKATLWFNFUDID-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159319;MM159319;CCC=C(F)C#CCO;GSXQVEQQSIGDQO-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159320;MM159320;CCC=C(F)C#CCF;OHSKACMQZHGJSB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159321;MM159321;CCC#CC(F)=CCN;VYIFZFFQXCUTEG-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159322;MM159322;NCC#CC(F)=CCN;NIQLGFDSPUJZOE-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159323;MM159323;NCC=C(F)C#CCO;MPVQGHUHJORJSA-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159324;MM159324;CCC#CC(F)=CCO;LGLUTUAPTZLCGG-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159325;MM159325;NCC#CC(F)=CCO;UOZKXJWEBQHELF-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159326;MM159326;OCC#CC(F)=CCO;AZZZPSIOMKVAEK-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159327;MM159327;OCC=C(F)C#CCF;MBFSBWOVUSGJOX-UHFFFAOYSA-N;132.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159328;MM159328;NCC#CC(F)=CCF;YJVQUQCQMQGCLJ-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159329;MM159329;OCC#CC(F)=CCF;BVNZLBVYZWPATD-UHFFFAOYSA-N;132.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159330;MM159330;CCC#CC(C)=COC;LIFFJJQNTMHLQN-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159331;MM159331;COC=C(C)C#CCN;OOWUZJALYZWLMU-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159332;MM159332;COC=C(C)C#CCO;LLCJPYMEOKCLSE-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159333;MM159333;COC=C(C)C#CCF;LLBLRRYWBWHGHR-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159334;MM159334;CCC#CC(F)=COC;ZJUUIRZEBZQTPX-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159335;MM159335;COC=C(F)C#CCF;JLFLBOIACMHRHM-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159336;MM159336;CCC#CC(C)=NNC;VLAHMJOKLXGKTK-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159337;MM159337;CNN=C(C)C#CCN;NEOUAINBJBHWPF-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159338;MM159338;CC#CC1(O)CN(C)C1;GSTWLMLAXLAIQX-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159339;MM159339;CCC#CC(C)=NOC;ZRQCIOYTRKWULI-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159340;MM159340;CON=C(C)C#CCF;HHHPNYIFBLFCLX-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159341;MM159341;C=CC#CC(C)=CCC;CJRXKYCAKFVGLT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159342;MM159342;CCC=C(C)C#CC=O;FBVUNCVRCSPQEA-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159343;MM159343;CCC=C(C)C#CC#N;FFFNHXVZAXMKQZ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159344;MM159344;C=CC#CC(C)=CCN;LGBPAMTYDQXGET-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159345;MM159345;C=CC#CC(C)=CCO;CMXXDJFPQXYQTN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159346;MM159346;CC(C#CC#N)=CCO;IOOXTLPCZBVXDS-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159347;MM159347;C=CC#CC(C)=CCF;STXQTMMQQWYLCB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159348;MM159348;CC(C#CC#N)=CCF;HOSPZYDGLFHGCG-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159349;MM159349;C=CC#CC(F)=CCC;KZKWLBLLNUZYNV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159350;MM159350;CCC=C(F)C#CC=O;STDZYFQQZTUHEY-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159351;MM159351;CCC=C(F)C#CC#N;FFUJCNTXKHPCCS-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159352;MM159352;C=CC#CC(F)=CCO;DFQOVXXBUHIZQE-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159353;MM159353;C=CC#CC(F)=CCF;SVLGZKLKLRBZEB-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159354;MM159354;N#CC#CC(F)=CCF;QRVLEUXMWOSYHM-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159355;MM159355;C=CC#CC(C)=COC;QGUXDJHCSYNALP-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159356;MM159356;COC=C(C)C#CC=O;PSMYPPBUINXDBZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159357;MM159357;C=CC#CC(F)=COC;APKHGIJCRBIRGI-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159358;MM159358;COC=C(F)C#CC#N;MCMCQWXYLUCEJJ-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159359;MM159359;C=CC#CC(C)=NNC;CLKAMFOTMPQBHZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159360;MM159360;C=CC#CC(C)=NOC;CTPVSNINJMGOKY-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159361;MM159361;CON=C(C)C#CC=O;DPPPVUPXEXOTOT-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159362;MM159362;C#CC#CC(C)=CCC;QUUVRRBTYWUDIS-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159363;MM159363;C#CC#CC(C)=CCN;KLWNUJGPQZVTFV-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159364;MM159364;C#CC#CC(C)=CCO;LQFCZFZTNZOALL-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159365;MM159365;C#CC#CC(C)=CCF;BVAGBFNNAJOYIS-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159366;MM159366;C#CC#CC(F)=CCC;IHIKTNBVTKPEQF-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159367;MM159367;C#CC#CC(F)=CCO;UIPSTHVTOIFUSQ-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159368;MM159368;C#CC#CC(F)=CCF;DLNFAVUCYCNNKJ-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159369;MM159369;C#CC#CC(C)=COC;VQSJXLAACLYCGO-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159370;MM159370;C#CC#CC(F)=COC;MYKFKCZMCRUNSB-UHFFFAOYSA-N;124.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159371;MM159371;C#CC#CC(C)=NNC;CISZHOPBWLYCFH-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159372;MM159372;C#CC#CC(C)=NOC;HOMIWVIAXKDODE-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159373;MM159373;C=CC=C(C)C#CCC;FTHXDSHMBKYTFI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159374;MM159374;C=CC=C(C)C#CCO;UTUCPBQGVMVDBU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159375;MM159375;C=CC=C(C)C#CCF;JRFHOVITRGMNGG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159376;MM159376;CCC#CC(C)=CC=O;SDOBDSMVOJJHNI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159377;MM159377;CCC#CC(C)=CC#N;LGSUJPIAWKSCIA-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159378;MM159378;CC(C#CCO)=CC=O;LXYABEPXVITYJO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159379;MM159379;CC(C#CCF)=CC=O;UGWNVDFGFIEWLT-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159380;MM159380;CC(C#CCF)=CC#N;RTBWHSUWJHMDBN-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159381;MM159381;CCC#CC(N)=CC=O;DXRQQVDTUKNCRZ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159382;MM159382;CCC#CC(N)=CC#N;LTBRMTFVPVHNRO-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159383;MM159383;NC(C#CCO)=CC=O;IJGQRFZEFVHSEU-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159384;MM159384;C=CC=C(F)C#CCC;CKUXXCQLDYDPRF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159385;MM159385;C=CC=C(F)C#CCN;YEBOSNNUCJCSCU-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159386;MM159386;C=CC=C(F)C#CCO;QBJGFXCORGRQFV-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159387;MM159387;C=CC=C(F)C#CCF;QAVCXDGUQUMADK-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159388;MM159388;CCC#CC(F)=CC=O;HFCOYJVYNHFNBZ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159389;MM159389;CCC#CC(F)=CC#N;OFXXPDKSTHGTFJ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159390;MM159390;N#CC=C(F)C#CCO;SJGDZIITEYMZOB-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159391;MM159391;N#CC=C(F)C#CCF;PLMNWQSUDXMGHV-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159392;MM159392;C=NN=C(C)C#CCC;BSXFWUDDQYTLCE-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159393;MM159393;C=NN=C(C)C#CCN;SWOLCTPHZFRMRE-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159394;MM159394;C=NN=C(C)C#CCO;ONHQPYYZWHYFJA-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159395;MM159395;C=NN=C(C)C#CCF;IAPDRZOIQYDIFT-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159396;MM159396;C=CC#CC(C)=CC=C;MAFGSGNQEUWPJA-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159397;MM159397;C=CC=C(C)C#CC=O;AIFAHAGUUUBIHK-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159398;MM159398;C=CC=C(C)C#CC#N;VRPCLCLFSPFRPJ-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159399;MM159399;C=CC#CC(C)=CC=O;BQDFSYIONCCKAU-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159400;MM159400;C=CC#CC(C)=CC#N;FRNGEHSEKWKBES-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159401;MM159401;CC(C#CC#N)=CC=O;PUKULTBVJZLVCH-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159402;MM159402;N#CC#CC(N)=CC#N;BSFKSQMAPWRCOE-UHFFFAOYSA-N;117.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159403;MM159403;C=CC#CC(F)=CC=C;PTXDMTYHBYGPRR-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159404;MM159404;C=CC=C(F)C#CC=O;YUZOZNGPVDPFDJ-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159405;MM159405;C=CC=C(F)C#CC#N;LHLFSYRGKIJBOP-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159406;MM159406;C=CC#CC(F)=CC=O;YLIGNWRACZAIML-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159407;MM159407;C=CC#CC(F)=CC#N;HOKQSCWOYZYYKP-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159408;MM159408;O=CC#CC(F)=CC=O;YTYIOZXDTRXTCL-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159409;MM159409;N#CC=C(F)C#CC=O;SOAQYRSONGKKOX-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159410;MM159410;N#CC#CC(F)=CC=O;ZSIZCSUSYBCTLP-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159411;MM159411;N#CC#CC(F)=CC#N;RVWJTFKLNPEYEH-UHFFFAOYSA-N;120.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159412;MM159412;C=CC#CC(C)=NN=C;IOYOEDRIWVSRFI-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159413;MM159413;C=NN=C(C)C#CC=O;ZBLUAULRZHYUNG-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159414;MM159414;C=NN=C(C)C#CC#N;VDDOGUFAWPCUCQ-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159415;MM159415;C#CC#CC(C)=CC=O;KMZYIVIZZFQDSE-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159416;MM159416;C#CC#CC(C)=CC#N;JXIVDYVKFYNWAZ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159417;MM159417;C#CC#CC(N)=CC=O;WOWCEXKINMHWNU-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159418;MM159418;C#CC#CC(F)=CC=C;DEESHHBFDUNDQA-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159419;MM159419;C#CC#CC(F)=CC=O;VHMDDNUVMOVFNN-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159420;MM159420;C#CC#CC(F)=CC#N;VQXYSIROWRWOSQ-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159421;MM159421;C#CC#CC(C)=NN=C;QUGITWKYOXSNEC-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159422;MM159422;C#CC=C(C)C#CCC;BSSUSASQWQSIDV-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159423;MM159423;C#CC=C(C)C#CCN;OLPSAFMSWNBZKO-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159424;MM159424;C#CC=C(C)C#CCO;XRGCUBBMEZCPJU-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159425;MM159425;C#CC=C(C)C#CCF;ZKPLICZDHMHZDB-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159426;MM159426;C#CC=C(F)C#CCC;LKOUIKZEHMAXJQ-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159427;MM159427;C#CC=C(F)C#CCN;SGKALTLUMJWXQK-UHFFFAOYSA-N;123.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159428;MM159428;C#CC=C(F)C#CCO;RRQNUGLYRSQYSI-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159429;MM159429;C#CC=C(F)C#CCF;MUMKNAXDDFKSIF-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159430;MM159430;C#CC=C(C)C#CC=C;LHXPWCRJZQMLHO-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159431;MM159431;C#CC=C(C)C#CC=O;LSACAYQFNGHLPU-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159432;MM159432;C#CC=C(C)C#CC#N;NLFNQSRTRTVXFT-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159433;MM159433;C#CC=C(F)C#CC=C;CQRAYILNBREBLK-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159434;MM159434;C#CC=C(F)C#CC=O;UTUJIVKRXJWKAM-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159435;MM159435;C#CC=C(F)C#CC#N;GDYLRGOXPUAWGM-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159436;MM159436;C#CC#CC(C)=CC#C;OLMDMZUOXOJNQX-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159437;MM159437;C#CC#CC(F)=CC#C;DHSVSEWNUSEHMD-UHFFFAOYSA-N;118.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159438;MM159438;CCCC=C(C)CCC;AACKTBLMYQELLG-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159439;MM159439;CCCC(C)=CCCN;FNOHWZDKTQLGBC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159440;MM159440;CCCC(C)=CCCO;WDKBQCPCNUPLJR-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159441;MM159441;CCCC(C)=CCCF;WPTUCNIFCSUCSN-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159442;MM159442;CCCC=C(C)CCN;NKOSXXRZLVZCKY-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159443;MM159443;C#CC(C)NC(=O)NN;OJUHTSVWYNZQNG-UHFFFAOYSA-N;127.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159444;MM159444;CC(=CCCF)CCF;HZQVMXUEANDMPP-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159445;MM159445;CCCC=C(F)CCC;DLVXKWZCDIAENS-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159446;MM159446;CCCC(F)=CCCN;IXEJXXCONDVPRM-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159447;MM159447;CCCC(F)=CCCO;IZKKPNCQUGIIRF-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159448;MM159448;CCCC(F)=CCCF;ZZJFATRVJOYJLO-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159449;MM159449;CCCC=C(F)CCN;PKARQFMXDCUBNX-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159450;MM159450;NCCC=C(F)CCN;JGSZKGXDKRYGSF-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159451;MM159451;FCCC=C(F)CCF;PYGDWRPGIKFJMU-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159452;MM159452;CCCC(C)=CCNC;UZHCFBBLNKBXSG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159453;MM159453;CNCC=C(C)CCN;PTZUTUPLINVUEC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159454;MM159454;CNCC=C(C)CCO;SCRROGCPIRMURO-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159455;MM159455;CNCC=C(C)CCF;JDGXESYCUZSFIK-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159456;MM159456;CCCC(F)=CCNC;MDZZSLIETRFRCU-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159457;MM159457;CNCC=C(F)CCN;TWYADKIRSTYOGH-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159458;MM159458;CCCC(F)=CCOC;YUBQHACOICTAEU-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159459;MM159459;CCCC=C(C)CNC;BRAXVPXEICCAOZ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159460;MM159460;CNCC(C)=CCCN;QWWNDHYRAXYHHI-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159461;MM159461;CNCC(C)=CCCO;TTZGXVPFGVSUBR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159462;MM159462;CNCC(C)=CCCF;VNVPDPDWFLYPHD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159463;MM159463;COCC(C)=CCCO;QDZFHMIYERSNQY-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159464;MM159464;COCC(C)=CCCF;QFCIDUJNALGFRT-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159465;MM159465;CCCC=C(F)COC;PJQKVAQBPDOJEY-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159466;MM159466;COCC=C(F)COC;XYSRCTHSDJDMPJ-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159467;MM159467;CCCC(C)=COCC;BHPWNHPBJWRUNT-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159468;MM159468;CCOC=C(C)CCO;SBNCMUZSRVJBDZ-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159469;MM159469;CCOC=C(F)CCN;YJANAUCFIUROLT-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159470;MM159470;CCOC=C(F)CCO;LDJFOPZVHDGENT-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159471;MM159471;CCCC=C(C)OCC;MQRKIJYSCYCRPW-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159472;MM159472;CCOC(C)=CCOC;JHISNIXDKAPLBB-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159473;MM159473;CCOC=C(C)OCC;UOUCPWAGGFHRQE-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159474;MM159474;CCCC(C)=NNCC;MCAHLKBVLBHLTE-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159475;MM159475;CCNN=C(C)CCN;LGYSEURAUKYHFC-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159476;MM159476;CCCC(C)=NOCC;GDBSLVMRNIMQFW-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159477;MM159477;CCC#CC(O)C=NN;PIEZMCJJELVVHF-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159478;MM159478;CCON=C(C)CNC;SQWLQEWLJMQNPW-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159479;MM159479;CCON=C(C)COC;PQLKEHDIQVNQET-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159480;MM159480;CCON=C(C)OCC;JPGNJKZRIMHBSZ-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159481;MM159481;C=CCC=C(C)CCC;RKUREQAWWXZZER-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159482;MM159482;CCCC(C)=CCC=O;ZGHQNNHTIWWNNA-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159483;MM159483;CCCC(C)=CCC#N;VMXUXQIONNTNNC-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159484;MM159484;C=CCC=C(C)CCN;VAWXXCVODGCGIT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159485;MM159485;CC(=O)C(C)NNC=O;ROONHQIHCQNBER-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159486;MM159486;CC(=CCC=O)CCF;KEQXNVPDIGERCA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159487;MM159487;C=CCC=C(F)CCC;FKJIIJAIGWBVBX-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159488;MM159488;CCCC(F)=CCC=O;VLYKEJPVKLHCKN-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159489;MM159489;CCCC(F)=CCC#N;RBFNLLLQNPJTEK-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159490;MM159490;C=CCC=C(F)CCN;LWXWQGUNNZLPGZ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159491;MM159491;C=CCC=C(F)CCF;KVUQYFJZUDIRBZ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159492;MM159492;O=CCC=C(F)CCF;VJDKWWNBDZQWKM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159493;MM159493;C=CCC=C(C)CNC;GNVHALBBNICMPC-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159494;MM159494;CNCC(C)=CCC#N;QPUKZKSYJGKXEM-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159495;MM159495;COCC(C)=CCC=O;ZKSZAQXNXOSMLW-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159496;MM159496;CCCC(C)=CNC=N;WNYCNJGOXRTXGL-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159497;MM159497;CCCC(C)=CNC=O;UTUNIYYEJLBHRD-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159498;MM159498;CC(=CNC=O)CCN;FRXNHQCCNRUYAZ-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159499;MM159499;CC(=CNC=N)CCO;MRCGCBLPCLLJTD-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159500;MM159500;CC(=CNC=N)CCF;ZTJMJUHTJFOTCA-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159501;MM159501;CC(=CNC=O)CCF;GTJCWMGHEQGGSM-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159502;MM159502;CCCC(F)=CNC=N;IIMSAWGEQWEMIN-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159503;MM159503;N=CNC=C(F)CCN;OBKGWJAIFPRWIJ-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159504;MM159504;N=CNC=C(F)CCO;GUJZPBNIQCENTK-UHFFFAOYSA-N;132.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159505;MM159505;O=CNC=C(F)CCO;DDXLIWGUQYBWOY-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159506;MM159506;N=CNC=C(F)CCF;NJGOMNYHUXPJMN-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159507;MM159507;CNCC(C)=CNC=N;OJJPVGGAAONFLL-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159508;MM159508;CNCC(C)=CNC=O;YKWGLFUEWABGKB-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159509;MM159509;C=COC=C(C)CCC;BZZGPAWWLPOQJY-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159510;MM159510;CCCC(C)=COC=O;UDERGHBSVPLDLD-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159511;MM159511;C=COC=C(C)CCO;UDHNKQOTSCFJHZ-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159512;MM159512;CC(=COC=O)CCF;BWBMHDNSLBSCAJ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159513;MM159513;C=COC=C(F)CCN;BJJNYFJLXNIMOB-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159514;MM159514;C=COC=C(F)CCO;KKQCLQFYSZGFQP-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159515;MM159515;C=COC=C(F)COC;IXZSPTAPXJVHIA-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159516;MM159516;CCOC(C)=CNC=O;LBKBYQCPHVPNRB-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159517;MM159517;C=COC=C(C)OCC;ZDMUIZHATJJZJK-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159518;MM159518;CCOC(C)=COC=O;ITOVMZKFEWSBIF-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159519;MM159519;CC(CCN)=NNC=N;FHBYQYHAOGGXGV-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159520;MM159520;CC(CCN)=NNC=O;AYAHLUAHEYEHHW-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159521;MM159521;CC(CCO)=NNC=O;DUKZIKGYITTYCJ-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159522;MM159522;CC(CCF)=NNC=O;BCUPXBKGKVANIT-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159523;MM159523;CNCC(C)=NNC=O;RUMLNXQPXKUUHA-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159524;MM159524;CCCC(C)=NOC=O;NJYKPRFYDZZYFB-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159525;MM159525;C=CC(F)CNNC=O;DKHRVJLICMPVHD-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159526;MM159526;CCOC(C)=NOC=O;OZEWWUHDMSVBNT-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159527;MM159527;C#CCC=C(C)CCC;ZIVCMOZPULHZLO-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159528;MM159528;C#CCC=C(C)CCN;BKOZSPZNHJLOJR-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159529;MM159529;C#CCC=C(F)CCC;DDYQYUZXNAWOLH-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159530;MM159530;C#CCC=C(F)CCN;MMOSWKYZCJAHLZ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159531;MM159531;C#CCC=C(F)CCO;CWHLWPREWHLSSY-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159532;MM159532;C#CCC=C(C)CNC;UXSPROUZFUGXPJ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159533;MM159533;C#CCC=C(F)COC;YYKQZSVKNOCMHV-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159534;MM159534;C#CCC=C(C)OCC;QHYWWELERUFQDE-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159535;MM159535;C=CCC(C)=CCCC;UGXFMSAYLOFGDQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159536;MM159536;C=CCC(C)=CCCN;RZXSFOQRUXXFAT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159537;MM159537;C=CCC(C)=CCCO;XJQLONVMGMJKLI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159538;MM159538;CCCC=C(C)CC=O;XUHXTYLHEQONJV-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159539;MM159539;CCCC=C(C)CC#N;HBLRJFRBVRHDMF-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159540;MM159540;CC(=CCCO)CC#N;ZYHXTEGOPAQSHL-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159541;MM159541;CC(=CCCF)CC=O;QGXVNBSPKIARGU-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159542;MM159542;CC(=CCCF)CC#N;REYADAFHXAVCIV-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159543;MM159543;C=CCC(F)=CCCC;SKIQNDJDSRNFQU-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159544;MM159544;C=CCC(F)=CCCN;ZLJHCNPPIHJDIH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159545;MM159545;C=CCC(F)=CCCO;BCGFNDIJAOCOAV-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159546;MM159546;CCCC=C(F)CC=O;LBFSJMUDFLHVGE-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159547;MM159547;CCCC=C(F)CC#N;VQKDBKDXGDDCPL-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159548;MM159548;O=CCC(F)=CCCF;NMLSDEBRDPFMSZ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159549;MM159549;C=CCC(C)=CCNC;FRDCLTBPMMUBMU-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159550;MM159550;CNCC=C(C)CC#N;XFOBIYIRGOIFMG-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159551;MM159551;C=CCC(F)=CCNC;WMGHLWXRGOKIBU-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159552;MM159552;C=CCC(C)=CCOC;VWFNBIIVGZXEJH-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159553;MM159553;C=CCC(C)=COCC;BOZLHKGHNQABKE-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159554;MM159554;C=CCC(F)=COCC;DAEBPMIWVJCLNW-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159555;MM159555;CCOC=C(F)CC#N;BMRXMLDIEJVMMA-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159556;MM159556;CCCC=C(C)NC=N;IGWRLYVLZUCWIR-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159557;MM159557;CC(=CCCN)NC=N;LEKKFGZLXYLZLN-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159558;MM159558;CC(=CCCO)NC=N;JHWITVOGELHRHU-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159559;MM159559;CC(=CCCF)NC=N;QDNCRRQWNJKKER-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159560;MM159560;CCCC=C(C)NC=O;QDHZUSGLURVCFO-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159561;MM159561;CC(=CCCN)NC=O;UKMKGPNNZRCVHY-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159562;MM159562;CC(=CCCF)NC=O;HGQJTDZDPBFRCJ-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159563;MM159563;CNCC=C(C)NC=O;HWBQDXMNMWIHAP-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159564;MM159564;COCC=C(C)NC=N;IBWSKRRSEQRVKH-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159565;MM159565;COCC=C(C)NC=O;XXXBCWVQEZURLX-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159566;MM159566;CCOC=C(C)NC=N;PKZMTZUMEXYYDH-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159567;MM159567;CCOC=C(C)NC=O;AGZQKIOUUYQZQD-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159568;MM159568;C=COC(C)=CCCC;FUQFGYDRQUINCU-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159569;MM159569;C=COC(C)=CCCF;NVDVJOPIRDONML-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159570;MM159570;CC(=CCCN)OC=O;FXRSNZQMLKQNEP-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159571;MM159571;CC(=CCCF)OC=O;GCGCXOVJGVTZNB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159572;MM159572;C=COC(C)=CCOC;ZTZVHXLGIRLTQO-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159573;MM159573;C=COC(C)=COCC;HLTKKTLJXSOGEN-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159574;MM159574;Nc1c(F)c[nH]c1N=O;UJPGZXZNQOQYJR-UHFFFAOYSA-N;129.09;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159575;MM159575;C=CCC(C)=NOCC;ADGWCLCACYNNFV-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159576;MM159576;CON=C(C)NNC(N)=O;ZHGIBRUBCRYRCD-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159577;MM159577;CC#CC1(O)CN(CC)C1;VFFPVYLEDMLBNR-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159578;MM159578;C=CNC(C)=NCCC;PFIPGCYIVWUSPS-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159579;MM159579;C=CNC(C)=NNCC;VYVYXLIVUWZLHY-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159580;MM159580;CC(O)C=CNC(=O)NN;ZCCJVBMFAWKBSF-UHFFFAOYSA-N;145.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159581;MM159581;C=COC(C)=NOCC;LDBITWPKNKMOBO-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159582;MM159582;CCON=C(C)OC=O;BVPJYXIQDCDKIT-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159583;MM159583;C=NOC(C)=NOCC;AURFVBSRPZUHOO-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159584;MM159584;C=CCC=C(C)CC=C;ZBLAELKSGUNFIZ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159585;MM159585;C=CCC(C)=CCC#N;MXWLCALZDMKQHL-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159586;MM159586;C=CCC=C(C)CC=O;HFLUYCCPTMFWTK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159587;MM159587;C=CCC=C(C)CC#N;PQECSRCETXVOTI-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159588;MM159588;CC(=CCC=O)CC=O;GRNISEUJCZZTCS-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159589;MM159589;CC(=CCC=O)CC#N;DXHMTWDDDGEPHL-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159590;MM159590;CC(=CCC#N)CC=O;PDKUPVWIZKFBSF-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159591;MM159591;C=CCC=C(F)CC=C;JAZVMWNABBVSIE-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159592;MM159592;C=CCC(F)=CCC=O;OWQWLFFLUNCTTR-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159593;MM159593;C=CCC=C(F)CC=O;ICRKPPFTHJHRJA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159594;MM159594;C=CCC=C(F)CC#N;AGTFNEBJFDVTQC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159595;MM159595;O=CCC=C(F)CC=O;WZLRVWFFOXGWEE-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159596;MM159596;C=CCC(C)=CNC=N;FQPVAEMYTBEOAS-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159597;MM159597;C=CCC(C)=CNC=O;IJECGYBGCCLZGN-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159598;MM159598;C=CCC(F)=CNC=N;FBZDOPGKNFRZLJ-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159599;MM159599;C=CCC(F)=CNC=O;FRILIFGOKXWRRC-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159600;MM159600;N=CNC=C(F)CC=O;UKQAGNCAFOZBHV-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159601;MM159601;C=COC=C(C)CC=O;MCORLCOKLXRJJV-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159602;MM159602;C=CCC(F)=COC=C;RWOFZEJHZYRWJK-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159603;MM159603;C=CCC(F)=COC=O;ANZCNVKUEPXMOL-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159604;MM159604;C=COC=C(F)CC#N;CWWRWZCMBPWGAQ-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159605;MM159605;N#CCC(F)=COC=O;RZPMCSUPJTVBPX-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159606;MM159606;C=CCC=C(C)NC=O;AKBSVKIBAQVTJV-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159607;MM159607;CC(=CCC#N)NC=O;VFAGERZEMMNPCR-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159608;MM159608;CC(=CNC=O)NC=N;NYIDDXNTCRFLJP-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159609;MM159609;CC(=CNC=N)NC=O;NCDBFJFLERXVPK-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159610;MM159610;CC(=CNC=O)NC=O;ACHBXISOPRIMRJ-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159611;MM159611;C=COC=C(C)NC=N;HUVXHOUQUXYRSC-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159612;MM159612;CC(=COC=O)NC=N;ZODREIGGTCLISF-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159613;MM159613;C=COC=C(C)NC=O;JUSJQSGDWAPWMK-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159614;MM159614;C=COC(C)=CCC=O;KTOPYABOZXULSU-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159615;MM159615;C=COC(C)=CCC#N;ZLYFJSZARWPYBI-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159616;MM159616;C=CCC=C(C)OC=O;FYANJTCAJJTTOU-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159617;MM159617;CC(=CCC=O)OC=O;WRKQLNZZVCPPKU-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159618;MM159618;CC(=CNC=N)OC=O;GCSPJDZUZMCXNQ-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159619;MM159619;C=COC=C(C)OC=C;UDMTXGIWQVOGTJ-UHFFFAOYSA-N;126.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159620;MM159620;C=COC=C(C)OC=O;WXFJFGLTCLCZNO-UHFFFAOYSA-N;128.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159621;MM159621;C=CCC(C)=NNC=O;IVKSTMMRLPLOAJ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159622;MM159622;CC(CC=O)=NNC=O;RKTNLTJXRDKLBW-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159623;MM159623;C=CCN=C(C)NC=C;HFFRUGSNGPKEAB-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159624;MM159624;C=CNC(C)=NCC#N;NCPYNDXIVDYJFC-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159625;MM159625;C=CN=C(C)NNC=N;ZAKAMZYHFAGIKW-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159626;MM159626;C=NOC(C)=NNC=O;JMSZWSUKNPHPHJ-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159627;MM159627;C=COC(C)=NOC=O;OLGZZTDJQHKWFU-UHFFFAOYSA-N;129.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159628;MM159628;C#CCC=C(C)CC=C;YQKKTINWTLWEMU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159629;MM159629;C#CCC=C(C)CC=O;QWRIAYUEHJVFNS-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159630;MM159630;C#CCC=C(C)CC#N;WDCSCFHMDHSRMV-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159631;MM159631;C#CCC=C(F)CC=C;UTNWCJHVJKMHKI-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159632;MM159632;C#CCC=C(F)CC=O;JPEBARDKIRTFIB-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159633;MM159633;C#CCC=C(F)CC#N;MFNRWPRCUQJJFP-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159634;MM159634;C#CCC=C(C)NC=N;KROHWOUSDRSAAZ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159635;MM159635;C#CCC=C(C)NC=O;XQBLRJNPMHIUTC-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159636;MM159636;C#CCC=C(C)OC=C;ZLHWXPDWBIYZND-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159637;MM159637;C#CCC=C(C)OC=O;KODHYBDLZPRBHV-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159638;MM159638;C#CCC(C)=CCCC;SJUYFSWUKLPDSK-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159639;MM159639;C#CCC(C)=CCCN;BSMQEBKRRKGICM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159640;MM159640;C#CCC(C)=CCCO;BSDPFXOZUYUWOF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159641;MM159641;C#CCC(C)=CCCF;RINUOTYNLLMUEA-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159642;MM159642;C#CCC(F)=CCCC;PENZBCRBKXDIPM-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159643;MM159643;C#CCC(F)=CCCN;QDOHHRFLVAAFCL-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159644;MM159644;C#CCC(F)=CCCF;GNJWZYIYKVJETC-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159645;MM159645;C#CCC(C)=CCNC;FLGVNCSSPMSFRJ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159646;MM159646;C#CCC(F)=CCNC;VDFIWYYTZLVHHW-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159647;MM159647;C#CCC(C)=CCOC;GNTWELQABBMHDL-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159648;MM159648;C#CCC(C)=COCC;MDVMWJKQMYVQQQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159649;MM159649;C#CCC(C)=NNCC;IMVYVDAMTASJIQ-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159650;MM159650;C#CCC(C)=NOCC;RCKNXSJLACUQSF-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159651;MM159651;C#CCC(C)=CCC=C;KKMGDFGIRRGGPG-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159652;MM159652;C#CCC(C)=CCC=O;UMEAEYJJRKPHLP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159653;MM159653;C#CCC(C)=CCC#N;ULYAEPCMIKMCJC-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159654;MM159654;C#CCC(F)=CCC=C;POLVZBOBQHRPHQ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159655;MM159655;C#CCC(F)=CCC=O;DYIMJXBRPKWVSE-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159656;MM159656;C#CCC(F)=CCC#N;VEUHHECNQFZDMP-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159657;MM159657;C#CCC(C)=CNC=N;PQFXUTDYRCZAGK-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159658;MM159658;C#CCC(C)=CNC=O;UZYLGUWXJRNBRC-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159659;MM159659;C#CCC(C)=COC=C;HQWKDNGCXSLFBQ-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159660;MM159660;C#CCC(C)=COC=O;WRDAZCPLVWTNOH-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159661;MM159661;C#CCC(F)=COC=O;GGVRWNUSGYDSCZ-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159662;MM159662;C#CCC(C)=NNC=O;CQFJXEOQULUPPF-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159663;MM159663;C#CCC(C)=NOC=O;ULCIRGPKWKYOBL-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159664;MM159664;C#CCC=C(C)CC#C;DXRBSRFFZJBBCE-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159665;MM159665;C#CCC=C(F)CC#C;NOVDOKUMIBPTNC-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159666;MM159666;CC=CC=C(C)CCC;JKPNMQJGACVRLE-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159667;MM159667;CCCC(C)=CC=CF;VRIJFTCSDQQWIJ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159668;MM159668;CC=CC=C(C)CCN;VJAKBAJZRBCYQO-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159669;MM159669;CC(=CC=CF)CCN;MATDFTMNEYJEGW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159670;MM159670;CC=CC=C(F)CCC;LRPFWYCUKIZEBY-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159671;MM159671;CCCC(F)=CC=CF;SBLJVEFAZXXBNC-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159672;MM159672;NCCC(F)=CC=CF;MMMDXROJIHAIAZ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159673;MM159673;CC=CC=C(F)CCO;RKVWQJCAUPCNOD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159674;MM159674;CN(C)N=CCC(=O)C#N;BTPSXEVBXMJORA-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159675;MM159675;CC(C=NN)OC(=O)NN;LFTMKKDIICBWSN-UHFFFAOYSA-N;146.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159676;MM159676;NCCC(N)=CC=NO;MHBGVSPENHMSBW-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159677;MM159677;CCCC(F)=CC=NN;NCEKTBOSMUINOW-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159678;MM159678;CC=CC=C(C)CNC;JGQNBMPPCYWXTF-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159679;MM159679;CNCC(C)=CC=CF;NOQDDSPLJWBRRG-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159680;MM159680;CC=CC=C(C)COC;VAHHKCKYFDRIMZ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159681;MM159681;CC=CC=C(F)COC;GJGJGAYCEGTJNA-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159682;MM159682;CCN=C(C)C=CNN;FVGRWIJMFIPFAV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159683;MM159683;CCN=C(C)C=CNO;UGWHUOXCCLHJLX-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159684;MM159684;CCNC(=N)C=CNO;OGDQJZCWHJTAES-UHFFFAOYSA-N;129.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159685;MM159685;CCOC(C)=CC=CF;VPYGEYHVTKZEFQ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159686;MM159686;CCOC(C)=CC=NN;GZCAHRBKDPEGLL-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159687;MM159687;CC=NN=C(C)CCF;VUAAJYRDEKVDLE-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159688;MM159688;CC=NN=C(C)COC;IYKZPPDKQFSVGU-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159689;MM159689;CC=NN=C(C)OCC;RCSPYCKHHZSARL-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159690;MM159690;C=CCC(C)=CC=CC;WJXGIZVEHGPHIE-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159691;MM159691;C=CCC(C)=CC=CF;IAMMNFBBGRSLPT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159692;MM159692;CC=CC=C(C)CC=O;NYPWQXBWIKSESS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159693;MM159693;CC=CC=C(C)CC#N;KTPXGBATCRVTPF-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159694;MM159694;CC(=CC=CF)CC=O;OZZNZAFSVSJVOS-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159695;MM159695;CC(=CC=CF)CC#N;WEQQLLGLTPHXHV-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159696;MM159696;C=CCC(F)=CC=CC;KXFYIXWEQAQMIT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159697;MM159697;C=CCC(F)=CC=CF;GABJJXSTQVZIQP-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159698;MM159698;O=CCC(F)=CC=CF;QXTYGOWAXNEWGL-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159699;MM159699;N#CCC(F)=CC=CF;JPHWNRFFIHLAGX-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159700;MM159700;C=CCC(C)=CC=NN;WJTKFDYJIPALSJ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159701;MM159701;CC(F)CN(C)C(=O)NN;KBYBCDVYDQFPKB-UHFFFAOYSA-N;149.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159702;MM159702;CC(=CC=NO)CC#N;DQHCSGPUAAZROB-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159703;MM159703;CCC#CCC(=O)NNC;OLPUDQOHLJXMEU-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159704;MM159704;C=CCC(F)=CC=NN;UIFMQXYGWKKGBG-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159705;MM159705;C=CCC(F)=CC=NO;KHTRUWAQWVRWQA-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159706;MM159706;CC=CC=C(C)NC=N;BKLVKNHALXTJNR-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159707;MM159707;CC=CC=C(C)NC=O;ARIPIKFZCNQKKO-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159708;MM159708;CC(=CC=NN)NC=N;SLJVERKRDIYONE-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159709;MM159709;CCCC#CC(O)C=NN;GKTUQUVGUJOOEI-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159710;MM159710;CC(=CC=NO)NC=O;XVUSAOHIGGYLSQ-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159711;MM159711;N=CNC(=N)C=CNN;JYIAQNXSSJPTEF-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159712;MM159712;C=C(F)C(O)CON=CC;PBDIWYSGMMFVLC-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159713;MM159713;CC=NNCC(=O)C(F)F;DYUPQIBZLYGOAQ-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159714;MM159714;C=COC(C)=CC=CF;LAOGUXCQBUZKAV-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159715;MM159715;CC(=CC=CF)OC=O;YANVRENUNDTLAB-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159716;MM159716;C=COC(C)=CC=NO;LFWQMYVHIPEYRJ-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159717;MM159717;C=CCC(C)=NN=CC;ZJJFGSDBZAGADO-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159718;MM159718;CC=NN=C(C)CC#N;TVKJDGCHKKDVSP-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159719;MM159719;NNC(=O)NCC1(O)CC1;WCDOUIFBZBHHQC-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159720;MM159720;N=CNN=C(N)NC=N;VRPJDRQJZWIHGE-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159721;MM159721;C=COC(C)=NN=CC;ZRSPPFSXXNCNNM-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159722;MM159722;CC=NN=C(C)OC=O;NKXVDYHDBHDJLL-UHFFFAOYSA-N;128.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159723;MM159723;C#CC(C=C)NC(=O)NN;ITVRRSXAJBBHQD-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159724;MM159724;C=NOC(C)=NN=CC;MTEQVBGQNCNEIH-UHFFFAOYSA-N;127.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159725;MM159725;C#CCC(C)=CC=CC;SGVBZAPATJRCCG-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159726;MM159726;C#CCC(C)=CC=CF;KYSBQSKCSZMJAX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159727;MM159727;C#CCC(F)=CC=CC;AWUDNOZFZIEKTI-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159728;MM159728;C#CCC(F)=CC=CF;KMZKPEYHNJDTKG-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159729;MM159729;C#CCC(C)=CC=NN;IJHKZOXUDCKKQG-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159730;MM159730;C#CCC(C)=CC=NO;ZSWNQGUWRIHMKW-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159731;MM159731;C#CCC(F)=CC=NO;PRXPTCFELZUYQZ-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159732;MM159732;C#CCC(C)=NN=CC;HTYGSPKLPKGOFL-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159733;MM159733;CC#CC=C(C)CCC;WUWUWDHTCHTKPI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159734;MM159734;CC#CC=C(C)CCN;AMSSBYLSRSRUBT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159735;MM159735;CC#CC=C(F)CCN;KLAJWYKVWMQSLP-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159736;MM159736;CC#CC=C(F)CCO;GCPSAKGSGPJZKV-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159737;MM159737;CC#CC=C(C)CNC;ZCXBSSQZCUKLGV-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159738;MM159738;CC#CC=C(C)COC;GGAPDZGBNAWAKF-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159739;MM159739;CC#CC=C(C)OCC;GJOJFNMAYBTNHQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159740;MM159740;C=CCC(C)=CC#CC;OYMWHHZSKYTRQL-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159741;MM159741;CC#CC=C(C)CC#N;LNNCHLTZNFUESR-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159742;MM159742;C=CCC(F)=CC#CC;KQDQZDAHXRVDPB-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159743;MM159743;CC#CC=C(F)CC=O;XFZVTSXGKCCEAD-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159744;MM159744;CC#CC=C(F)CC#N;UTCGWHXPHIEXLD-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159745;MM159745;CC#CC=C(C)NC=N;HCAUQAWEOLOXEY-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159746;MM159746;C=COC(C)=CC#CC;NECXJIFVAAODGA-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159747;MM159747;C#CCC(C)=CC#CC;YWTXFCIIYDXWQI-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159748;MM159748;C#CCC(F)=CC#CC;XNHUPOQUPFEQOE-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159749;MM159749;CC=CC(C)=CCCC;JQAFJFQRBIFHGI-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159750;MM159750;CC=CC(C)=CCCN;OBQCPXZZXUSOJZ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159751;MM159751;CC=CC(C)=CCCO;HQFXMHPOBQNWNT-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159752;MM159752;CC=CC(C)=CCCF;LLCAYNZUMZIKGS-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159753;MM159753;CCCC=C(C)C=CF;JYXUVNASYRIYBJ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159754;MM159754;CC(C=CF)=CCCN;MHUDZDHZQKPFCW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159755;MM159755;CC(C=CF)=CCCO;RNAKOSRYNCSBOD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159756;MM159756;CC(C=CF)=CCCF;XCTZFNIOOJDYCC-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159757;MM159757;CC=CC(F)=CCCC;BIIMXERAEBOTPD-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159758;MM159758;CC=CC(F)=CCCN;JSMCGPBNRJVWHA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159759;MM159759;CC=CC(F)=CCCO;DGDYMCFJENVLSZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159760;MM159760;CC=CC(F)=CCCF;GYDHWSXREUDRBG-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159761;MM159761;NCCC=C(F)C=CF;HTCSOQWWTKHGSV-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159762;MM159762;OCCC=C(F)C=CF;KJCQTGVMWWFKGA-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159763;MM159763;CC=CC(C)=CCNC;VWEFFVJBKDUNRS-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159764;MM159764;CC=CC(F)=CCNC;NICWKBVRYXMBLK-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159765;MM159765;CNCC=C(F)C=CF;OZZTVNXACJFOKZ-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159766;MM159766;CC=CC(C)=CCOC;GMQVDDUXMAYDNK-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159767;MM159767;COCC=C(C)C=CF;TXQQIRFOQKTDNU-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159768;MM159768;CCCC=C(C)C=NN;VPLPPGHKOLYPAQ-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159769;MM159769;COC(=CC(=O)NN)CO;VXJFNWQPIJYRBF-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159770;MM159770;CCCC=C(F)C=NN;SXSPFKHLPWGVOC-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159771;MM159771;NCCC=C(F)C=NO;QSNHLWLBFXLGGB-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159772;MM159772;CNCC=C(C)C=NO;JQMVMDSNNCFWGV-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159773;MM159773;COCC=C(C)C=NO;VHTYARFMRDXZKH-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159774;MM159774;CCN=CC(C)=CNN;BRVSCHIBMGHLKP-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159775;MM159775;CCN=CC(C)=CNO;MWSGIYYQQVVCGN-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159776;MM159776;CC=CC(C)=COCC;ZYQYITLYOZCALB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159777;MM159777;CCOC=C(C)C=CF;NFFUBAVZOFKTFO-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159778;MM159778;CCOC=C(C)C=NN;GNJQSGZVOQLUOA-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159779;MM159779;CCOC=C(F)C=NN;ILYIWEBQCGDHPJ-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159780;MM159780;CC=CC(C)=NOCC;WSDHEJHIWTYFEY-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159781;MM159781;C=NOCC(=C)C(=O)NN;LOALYLALBGTENF-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159782;MM159782;CCON=C(C)C=NO;JGNLUFSKUDDKRH-UHFFFAOYSA-N;130.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159783;MM159783;N=CNC(N)=NCCO;BQJVPGIAXSQYLI-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159784;MM159784;C=CCC=C(C)C=CC;CQKUQCSJQPBMGP-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159785;MM159785;CC=CC(C)=CCC=O;DMWVQRFFOZJRHO-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159786;MM159786;CC=CC(C)=CCC#N;XAUBXUBAYPMNNZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159787;MM159787;C=CCC=C(C)C=CF;ZBPJQMODHLESFU-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159788;MM159788;CC(C=CF)=CCC#N;FBEFHWDUEUKOHL-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159789;MM159789;C=CCC=C(F)C=CC;QCPXXURMJDPUPS-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159790;MM159790;CC=CC(F)=CCC#N;NSVBZSAVTMZSIF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159791;MM159791;C=CCC=C(F)C=CF;HEHSEWJFHWFOCB-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159792;MM159792;O=CCC=C(F)C=CF;IASNULKQHJMIDD-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159793;MM159793;N#CCC=C(F)C=CF;GDTZNVKIMVJVSN-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159794;MM159794;C=CCC=C(C)C=NN;HXSOZSQRZYYAFH-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159795;MM159795;CC(C=NO)=CCC=O;FAFWAEBIVASOIC-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159796;MM159796;C=CCC=C(F)C=NO;HOYZLNLWWDKZPQ-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159797;MM159797;CC=CC(C)=CNC=N;WLFCDMIPNGZDEU-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159798;MM159798;CC=CC(C)=CNC=O;YRDWKYZFTOBZQK-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159799;MM159799;CC(C=CF)=CNC=N;WOFQCVYWDYJPFY-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159800;MM159800;CC(C=CF)=CNC=O;FPMICBZRLNNDCK-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159801;MM159801;CC=CC(F)=CNC=N;MYVOUKYJYDZFIT-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159802;MM159802;CC=CC(F)=CNC=O;RCKONNLBPSVGNX-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159803;MM159803;N=CNC=C(F)C=CF;DZSMRCSMJLSRSF-UHFFFAOYSA-N;132.11;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159804;MM159804;O=CNC=C(F)C=CF;ZLHNBNMSMKMTLC-UHFFFAOYSA-N;133.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159805;MM159805;CC(C=NO)=CNC=N;CXMJRTPKZFZLSJ-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159806;MM159806;CC(C=NO)=CNC=O;MJPMRQBDZKFMMA-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159807;MM159807;C=COC=C(C)C=CC;ATKZQYYLYKEKTB-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159808;MM159808;CC=CC(C)=COC=O;YZQRAWMJHBLGOD-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159809;MM159809;C=COC=C(C)C=CF;UVHLBEBLPGMUIY-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159810;MM159810;CC=CC(F)=COC=O;MEWWEUQRXOAHEZ-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159811;MM159811;CC(C=NN)=COC=O;MFZWHMCPJPPIJA-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159812;MM159812;C=COC=C(C)C=NO;DNWOPLXNZUZLHE-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159813;MM159813;CC(C=NO)=COC=O;PGRRFQLDNPNKSG-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159814;MM159814;C=COC=C(F)C=NN;NYHGAENLVGPUBJ-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159815;MM159815;COCC=CNC(=O)NN;TWRKGKRMOPPAGO-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159816;MM159816;CC(C=CF)=NNC=O;ZOONTRQAYDBXQI-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159817;MM159817;CC(C=NO)=NOC=O;MDPUMCACRMPMDL-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159818;MM159818;N=CNC(N)=NCC=O;CRVMGXJTEFFYOA-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159819;MM159819;N=CNC(N)=NNC=O;JVAZZKWVEKYCOX-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159820;MM159820;N=CNC(N)=NOC=O;UCLXPUUJAPQUID-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159821;MM159821;C#CCC=C(C)C=CC;NKFCCBXOBOUASE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159822;MM159822;C#CCC=C(C)C=CF;YHVUNERFXOAZJH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159823;MM159823;C#CCC=C(F)C=CC;YFDKUGONCPWXGF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159824;MM159824;C#CCC=C(F)C=CF;HSFTZTOQXOFTFU-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159825;MM159825;C#CCC=C(C)C=NN;VLNLIWKIWGJECW-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159826;MM159826;C#CCC=C(C)C=NO;IZWYGSXSKUJDDG-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159827;MM159827;C#CCC=C(F)C=NN;PTXOHQBECGRZTD-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159828;MM159828;CC=CC=C(C)C=CC;IMNYFQYYKHHMKG-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159829;MM159829;CC=CC(C)=CC=CF;TZSWHSDEPMKQJY-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159830;MM159830;CC=CC=C(C)C=CF;POWBJJQMKRVWIB-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159831;MM159831;CC=CC=C(F)C=CC;HCUMGHFBQQFIIY-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159832;MM159832;CC=CC(F)=CC=CF;OKCRAXZVFREWDX-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159833;MM159833;CC=CC(C)=CC=NN;ZEJAXWBYOKUEBR-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159834;MM159834;C#CC(ON=C)C(O)CF;KSTDUNPZMKMFOC-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159835;MM159835;CN=C(NO)C(=O)CC#N;MHOMHKUWFLZTMF-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159836;MM159836;CC=CC(F)=CC=NN;NVEXCTKLDBLSIL-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159837;MM159837;CC=CC(F)=CC=NO;WFVUPGBXRGKYMQ-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159838;MM159838;CC=CC=C(C)C=NN;OPUJXLGGQDSUHP-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159839;MM159839;NNC(=O)C1CC(CF)C1;UZZLSZJWJCKMJW-UHFFFAOYSA-N;146.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159840;MM159840;C#CC1(O)C(C)C1N1CC1;KZWMVSKUOIOWRA-UHFFFAOYSA-N;137.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159841;MM159841;CC=CC(C)=NN=CC;JEQIYIVZMMQCIK-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159842;MM159842;CC=NN=C(C)C=CN;WDNSYWOZZFHOBI-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159843;MM159843;CC=NN=C(C)C=CF;GWQRGQPVFNKHDH-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159844;MM159844;N=CNC(N)=NC=NN;ILLKWJDTVBLNHT-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159845;MM159845;N=CNC(N)=NC=NO;FXURCKIQVFRAKJ-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159846;MM159846;CC#CC=C(C)C=CC;UHXFDTALIFBJMU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159847;MM159847;CC#CC=C(F)C=CC;YTNSFFYJQAHBDD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159848;MM159848;CC#CC=C(C)C=NN;HYMNMXRYUQDAQH-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159849;MM159849;CC#CC=C(C)C=NO;WPUQJNILBQDKGI-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159850;MM159850;CC#CC(C)=CCCC;BOKUWQULDLHOEO-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159851;MM159851;CC#CC(C)=CCCN;MBSATBVYYFPGDZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159852;MM159852;CC#CC(C)=CCCO;QLPWKFDWRWFFDJ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159853;MM159853;CC#CC(C)=CCCF;AGBQXURPRSBGNO-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159854;MM159854;CC#CC(F)=CCCC;HOUFXVXGARMQEE-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159855;MM159855;CC#CC(F)=CCCN;DHLXXRIZLQYIFS-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159856;MM159856;CC#CC(C)=CCNC;PGPGSPICRRROIB-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159857;MM159857;CC#CC(C)=CCOC;SOGBMQZNBNVYQE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159858;MM159858;CC#CC(F)=CCOC;ZWWNNUGAUHJRSZ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159859;MM159859;CC#CC(C)=COCC;WEAZVWPJGRHONP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159860;MM159860;CC#CC(C)=NNCC;IGQVXSKDERZQQD-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159861;MM159861;CC#CC(C)=NOCC;QSNMHBLKJOKLLG-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159862;MM159862;C=CCC=C(C)C#CC;LJHCTCNVHBIVML-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159863;MM159863;CC#CC(C)=CCC=O;VQEAQOJLUVTNHX-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159864;MM159864;CC#CC(C)=CCC#N;QNQGCBUJVXUGMH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159865;MM159865;C=CCC=C(F)C#CC;WEIVPJANLBBPAW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159866;MM159866;CC#CC(F)=CCC=O;UMVZASQBUIMCPE-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159867;MM159867;CC#CC(F)=CCC#N;ZECIWQPWBBQHSB-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159868;MM159868;CC#CC(C)=CNC=N;LNDSZKBGLCRVMF-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159869;MM159869;CC#CC(F)=CNC=N;OFSANFLVHCTIQL-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159870;MM159870;CC#CC(F)=CNC=O;ZKYIGQIGXJLEHR-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159871;MM159871;C=COC=C(C)C#CC;DPPRTKKHWMKTSN-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159872;MM159872;C=COC=C(F)C#CC;XPGSNIOPGNAQIZ-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159873;MM159873;CC#CC(F)=COC=O;LUBLCFDCQZRMEF-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159874;MM159874;CC#CC(C)=NNC=O;DLZUXWPYEHYNQY-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159875;MM159875;CC#CC(C)=NOC=O;RTLYCTZJXLGHLL-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159876;MM159876;C#CCC=C(C)C#CC;OFJSEVXFTGKYDM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159877;MM159877;C#CCC=C(F)C#CC;YJHCQRVNSXLXCY-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159878;MM159878;CC#CC(C)=CC=CC;KSOCEOSTAQGRHT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159879;MM159879;CC#CC(F)=CC=CC;NPKBOTDHIYSPBA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159880;MM159880;CC#CC(F)=CC=CF;IBWNICKXDDTLOX-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159881;MM159881;CC#CC(C)=CC=NN;AVTCWMDGTSVYAF-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159882;MM159882;CC#CC(F)=CC=NN;SIPAQADWEBJCHN-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159883;MM159883;CC#CC(C)=NN=CC;UTLJESBTYSHNDA-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159884;MM159884;CC#CC=C(C)C#CC;ZYAUKZBTXHHXON-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159885;MM159885;CC#CC=C(F)C#CC;MBWIPHRSKQRFKK-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159886;MM159886;CCC(C)C(C)C(C)C;RUTNOQHQISEBGT-UHFFFAOYSA-N;128.26;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159887;MM159887;CC(C)C(C)C(C)CN;RRRRYTNJENMDGK-UHFFFAOYSA-N;129.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159888;MM159888;C=CC(=NO)N1CC1C=C;YNFMUEKGGBSBCU-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159889;MM159889;CC(C)C(C)C(C)CF;QLLBOAYXOYGEJX-UHFFFAOYSA-N;132.22;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159890;MM159890;CCC(C)C(C)C(C)N;QIMDHWIGCHDHSI-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159891;MM159891;CC(N)C(C)C(C)CO;UHWQPFRHVNQLOR-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159892;MM159892;CNC1=NOC(NC)=NN1;RHWOTNSOZPVKBJ-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159893;MM159893;CCC(C)C(C)C(C)F;VXAPHHFQYVCWES-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159894;MM159894;CC(F)C(C)C(C)CF;LXSIIYSNBDBWMH-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159895;MM159895;CCC(C)C(C)C(F)F;KKTDAZJXCWLBGC-UHFFFAOYSA-N;136.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159896;MM159896;CC(CO)C(C)C(F)F;ITJLTPLBSLNYJT-UHFFFAOYSA-N;138.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159897;MM159897;CCC(N)C(C)C(C)C;OJSSIKRDFZCWGF-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159898;MM159898;CC(C)C(C)C(N)CF;KUDHAKIYLISHFQ-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159899;MM159899;CC(O)C(C)C(N)CF;ANARVWOSHOHIEQ-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159900;MM159900;CC(C(F)F)C(N)CN;KLEBIAXMGVCDII-UHFFFAOYSA-N;138.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159901;MM159901;CC(C(F)F)C(N)CO;LBLKHRNAAHATLI-UHFFFAOYSA-N;139.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159902;MM159902;CC(C(F)F)C(N)CF;FVFMOVXLSKIGKA-UHFFFAOYSA-N;141.14;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159903;MM159903;CC(N)C(C)C(O)CO;GFXJNAMWKDSDRQ-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159904;MM159904;CC(F)C(C)C(O)CN;JHUOADQPTXAROF-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159905;MM159905;CCC(O)C(C)C(F)F;PMQVWXRNDNRQKH-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159906;MM159906;CC(C(F)F)C(O)CO;QYWNUUZRDTZHRE-UHFFFAOYSA-N;140.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159907;MM159907;CCC(F)C(C)C(C)C;QUZMBAAFZGCDLU-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159908;MM159908;CC(C)C(C)C(F)CN;ORSQZNPRVFDGLG-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159909;MM159909;CC(C)C(C)C(F)CO;KPTNIVRFHUFCKS-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159910;MM159910;CC(C)C(C)C(F)CF;IRIVTFCRHCOOAJ-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159911;MM159911;CC(N)C(C)C(F)CN;SBXSVEYXQFOXRL-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159912;MM159912;CCC(F)C(C)C(C)O;ANRPRPCRMOWOTI-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159913;MM159913;CC(O)C(C)C(F)CN;BOEGAFFWLSRGCV-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159914;MM159914;CC(O)C(C)C(F)CO;ISJNGMVPVFYYHW-UHFFFAOYSA-N;136.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159915;MM159915;CC(O)C(C)C(F)CF;AFLSNTNBBAFVLW-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159916;MM159916;CC(F)C(C)C(F)CF;OYNSFYDPMPQWRP-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159917;MM159917;CCC(F)C(C)C(F)F;APCQEIQGGNBMAQ-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159918;MM159918;CCC(C)C(N)C(C)C;IQQKAZBCYSDOLA-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159919;MM159919;CCC(C)C(N)C(C)O;QGLAMQCZVLMGBN-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159920;MM159920;CC(C)C(N)C(N)CN;GHJHJJSRVXZHLH-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159921;MM159921;CC(C)C(N)C(N)CF;ONTJPAWSDZFDOW-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159922;MM159922;CC(O)C(N)C(N)CO;XZAGEYFKMQFTHQ-UHFFFAOYSA-N;134.18;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159923;MM159923;CC(F)C(N)C(N)CF;OZEASDGXTMKSAK-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159924;MM159924;CCC(N)C(N)C(F)F;QHRZUNCUJHJQGZ-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159925;MM159925;CCC(O)C(N)C(C)C;NCVQJHWZYWTJHX-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159926;MM159926;CC(C)C(N)C(O)CN;CYIASEOXMJPRMD-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159927;MM159927;CC(C)C(N)C(O)CO;BHLJOEIQFUGIDN-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159928;MM159928;CC(C)C(N)C(O)CF;TXYQYZXRAOVORF-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159929;MM159929;CCC(F)C(N)C(C)C;WRKQLCMZASHUEU-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159930;MM159930;CC(C)C(N)C(F)CN;YVPLWSCVHAGBLI-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159931;MM159931;CC(C)C(N)C(F)CO;QEPSJVUYXDHEMY-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159932;MM159932;CC(C)C(N)C(F)CF;NTTQHBYCKQZKEN-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159933;MM159933;CC(O)C(O)C(C)CN;BUYMLTIOZRTSQK-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159934;MM159934;CC(O)C(O)C(C)CO;HZKLSFQRAUQGQN-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159935;MM159935;CCC(C)C(O)C(C)F;RPPINJZTGUZGNI-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159936;MM159936;CC(F)C(O)C(C)CF;UQEINEAVVWBLMK-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159937;MM159937;CCC(N)C(O)C(C)C;KHRLRJPSKWLLPI-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159938;MM159938;CC(C)C(O)C(N)CF;SMHGCSYYCDWQRS-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159939;MM159939;CCC(N)C(O)C(C)N;JZTIBHTYDITDMV-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159940;MM159940;CC(N)C(O)C(N)CN;WBDWMTZPSQANDC-UHFFFAOYSA-N;133.2;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159941;MM159941;CC(N)C(O)C(N)CO;FLHZVJQNWBPYHF-UHFFFAOYSA-N;134.18;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159942;MM159942;CC(O)C(O)C(N)CO;FBVVVAKNYGZMBQ-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159943;MM159943;CCC(N)C(O)C(F)F;ARXJBEMSIHEXAD-UHFFFAOYSA-N;139.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159944;MM159944;NC(CO)C(O)C(F)F;FOPUPCSZYVPLOZ-UHFFFAOYSA-N;141.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159945;MM159945;CCC(O)C(O)C(C)C;LJSJWFGNXJMAFG-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159946;MM159946;CC(N)C(O)C(O)CN;ZAWXVLXRUKZOMO-UHFFFAOYSA-N;134.18;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159947;MM159947;CC(N)C(O)C(O)CO;RFMJRKMFWUMAQT-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159948;MM159948;CCC(O)C(O)C(C)O;QPNQLFAXFXPMSV-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159949;MM159949;CC(O)C(O)C(O)CN;GVOKUSNMTOQCFG-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159950;MM159950;CC(O)C(O)C(O)CO;FJGNTEKSQVNVTJ-UHFFFAOYSA-N;136.15;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159951;MM159951;CCC(O)C(O)C(C)F;GMLCOIRBXWFOOC-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159952;MM159952;CC(F)C(O)C(O)CF;DXOLYRGQDZZAHE-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159953;MM159953;NCC(O)C(O)C(F)F;OVDBKRMNMZIJOY-UHFFFAOYSA-N;141.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159954;MM159954;OCC(O)C(O)C(F)F;MJQKWEFSLIINMH-UHFFFAOYSA-N;142.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159955;MM159955;CC(C)C(O)C(F)CN;OOSGFISPIIMHTD-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159956;MM159956;CC(N)C(O)C(F)CN;BOLZKXRDVGABJU-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159957;MM159957;CC(O)C(O)C(F)CF;FQCOUEBEXNANFC-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159958;MM159958;CC(F)C(O)C(F)CN;PCURGIBZUUUZAD-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159959;MM159959;CC(F)C(O)C(F)CO;XHYMGSOQKYVVQS-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159960;MM159960;CC(C)C(F)C(C)CO;HVWXHVVYJQSQFT-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159961;MM159961;CC(N)C(F)C(C)CF;ZEIRYVVUTYDUFW-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159962;MM159962;CC(O)C(F)C(C)CO;UMAMJUUVRZUXDS-UHFFFAOYSA-N;136.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159963;MM159963;CC(O)C(F)C(C)CF;AVRXCHFHSRCZMC-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159964;MM159964;CCC(N)C(F)C(C)C;ZXIMDSQGYUGYGG-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159965;MM159965;CC(C)C(F)C(N)CN;PTDOZGWRTFXHCS-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159966;MM159966;CCC(N)C(F)C(C)O;JAZZSWUDUSNSCN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159967;MM159967;CC(F)C(F)C(N)CN;YDXXEYGJJMSILJ-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159968;MM159968;CC(F)C(F)C(N)CO;UIXSVPFUNPPSIY-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159969;MM159969;CCC(O)C(F)C(C)C;KGJQZPWHRHYAPF-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159970;MM159970;CCC(O)C(F)C(C)N;VZUBHNGFOMKICN-UHFFFAOYSA-N;135.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159971;MM159971;CC(F)C(F)C(O)CN;RYUHZNXXFCOPNB-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159972;MM159972;CC(F)C(F)C(O)CO;BTIDUAXRVMGNBA-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159973;MM159973;CCC(F)C(F)C(C)C;GNUBXWUTDSCWJR-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159974;MM159974;CC(C)C(F)C(F)CN;VLMLPSDCZYLGFT-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159975;MM159975;CCC(F)C(F)C(C)N;QWYUVTWNRTUKRJ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159976;MM159976;CCC(F)C(F)C(C)F;HJTXYCRTBONFRE-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159977;MM159977;CNC(C)C(C)C(F)F;HBLMNYDGZCJQQC-UHFFFAOYSA-N;137.17;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159978;MM159978;CNC(C)C(N)C(C)N;YCMYHORJMPMAEJ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159979;MM159979;CNC(C)C(N)C(F)F;VUBNTIIZEZNTFE-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159980;MM159980;CNC(C)C(O)C(C)F;DAWMQABPHGVBJU-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159981;MM159981;CNC(C)C(F)C(C)F;ANLONMSTRXXSKL-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159982;MM159982;COC(C)C(C)C(C)C;GOUWYBABHUJCET-UHFFFAOYSA-N;130.23;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159983;MM159983;COC(C)C(C)C(C)N;FVPSRZUTDHDXBD-UHFFFAOYSA-N;131.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159984;MM159984;COC(C)C(C)C(C)O;DXKCNXIRZXSQNT-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159985;MM159985;COC(C)C(N)C(C)C;KTCUVTOKTNFHOO-UHFFFAOYSA-N;131.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159986;MM159986;COC(C)C(O)C(C)N;CAVLUNRFMKKWED-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159987;MM159987;COC(C)C(O)C(C)O;NQZNOYOUVSAUME-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159988;MM159988;CCC(C)C(C)N(C)C;FMDKYSIKUUBHMY-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159989;MM159989;CC(C(N)CO)N(C)C;RGJDPHXXAMUEEA-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159990;MM159990;CC(C(N)CF)N(C)C;RKLSLYHQIPIBSK-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159991;MM159991;CCC(O)C(C)N(C)C;IFKPQFVTOXYXIP-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159992;MM159992;CC(C(O)CN)N(C)C;LKAYNALRMGZVAN-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159993;MM159993;CC(C(O)CF)N(C)C;QKTKYGJDKCNWKI-UHFFFAOYSA-N;135.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159994;MM159994;CC(C(F)CN)N(C)C;YDDFAMFRTSOIRF-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159995;MM159995;CNC(C)C(C)N(C)C;PRCPZOQEZKGDQM-UHFFFAOYSA-N;130.24;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159996;MM159996;CCN(C)C(C)C(C)C;RIIIZFZVDLIXLU-UHFFFAOYSA-N;129.25;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159997;MM159997;CCN(C)C(C)C(C)O;KOEROTSPSMGSOP-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159998;MM159998;CCN(C)C(C)C(C)F;LXAHIVYTKOZRFS-UHFFFAOYSA-N;133.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM159999;MM159999;CCC(C)N(C)C(C)C;VZVDQQRBKVOHDV-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160000;MM160000;CC(C)N(C)C(C)CN;LPKLOHNQLZWKTG-UHFFFAOYSA-N;130.24;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160001;MM160001;CC(C)N(C)C(C)CF;BAJXYNTTYBBZOC-UHFFFAOYSA-N;133.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160002;MM160002;C=CC(C)C(C)C(C)C;NLLUKGSIZLNKDD-UHFFFAOYSA-N;126.24;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160003;MM160003;CC(C)C(C)C(C)C=O;SITBGJYOJQJHHU-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160004;MM160004;CC(C)C(C)C(C)C#N;AMLJYAFIQBWMKJ-UHFFFAOYSA-N;125.22;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160005;MM160005;C#CC(C)(C)NNC=O;NZRJNJMFWKFQOY-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160006;MM160006;C=CC(C)C(C)C(C)F;OCKIZIGEKOZRFG-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160007;MM160007;CC(F)C(C)C(C)C=O;AROHAHHYLILKAQ-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160008;MM160008;CC(F)C(C)C(C)C#N;SQWNWSBOTGOZJL-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160009;MM160009;CC(C=O)C(C)C(F)F;ZSVPTOYFVQHRJJ-UHFFFAOYSA-N;136.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160010;MM160010;C=CC(N)C(C)C(C)C;RWDPCRDLGIAPJO-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160011;MM160011;C=CC(N)C(C)C(F)F;YEASTKNNJYYSRI-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160012;MM160012;CC(C)C(C)C(O)C=O;KRTPIZWBWSJOHL-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160013;MM160013;CC(C)C(C)C(O)C#N;CELOHZLOUJTGFX-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160014;MM160014;CC(O)C(C)C(O)C=O;RYFSOVBRVCIXCO-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160015;MM160015;C=CC(F)C(C)C(C)C;IYUWYHCPXJTZGW-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160016;MM160016;CC(C)C(C)C(F)C=O;LPRSFBQBWYENMQ-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160017;MM160017;CC(C)C(C)C(F)C#N;VRXVXWBOXWZSOM-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160018;MM160018;C=CC(F)C(C)C(C)N;RGQRFLGVIRELIW-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160019;MM160019;C=CC(N)C(N)C(C)N;CLALFSORQBDUAQ-UHFFFAOYSA-N;129.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160020;MM160020;C=CC(N)C(N)C(C)O;QKDMFHKLTSLJBO-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160021;MM160021;C=CC(O)C(N)C(C)N;XIHMYVOUMCCKCK-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160022;MM160022;C=CC(F)C(N)C(C)C;IHLKLVLDHOQGHK-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160023;MM160023;CC(O)C(O)C(C)C=O;CWEPZAIDIXHIMI-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160024;MM160024;C=CC(N)C(O)C(C)N;ZUBKPAIEGVHDHQ-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160025;MM160025;CC(O)C(O)C(O)C#N;UAXDAICSQTWUFO-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160026;MM160026;CC(F)C(O)C(O)C=O;XSFVSTSLCMIDQK-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160027;MM160027;CC(F)C(O)C(O)C#N;UKWHAPNXYLLSKK-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160028;MM160028;CC(F)C(O)C(F)C#N;IOKVBEFWNUYGPE-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160029;MM160029;C=CC(C)C(F)C(C)C;IFQOBPGGHJHERX-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160030;MM160030;CC(C)C(F)C(C)C=O;HXZDZJLVLLRYIN-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160031;MM160031;C=CC(C)C(F)C(C)N;ADVAZNIZWJQGPH-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160032;MM160032;C=CC(C)C(F)C(C)F;CPPUJTBCRMPTRV-UHFFFAOYSA-N;134.17;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160033;MM160033;C=CC(C)C(F)C(F)F;DRSQFVAJHKXBCI-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160034;MM160034;C=CC(N)C(F)C(C)C;BRDMPLLAIFKYAC-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160035;MM160035;CC(F)C(F)C(O)C#N;QGOQHFGPCZLRHU-UHFFFAOYSA-N;135.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160036;MM160036;C=CC(O)C(F)C(F)F;DIHCNIVMPDVMDG-UHFFFAOYSA-N;140.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160037;MM160037;C=CC(F)C(F)C(C)O;GMECZRZNHOVGLF-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160038;MM160038;C=CC(C)C(C)N(C)C;JWEYYNKPEZOYLE-UHFFFAOYSA-N;127.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160039;MM160039;C=CC(O)C(C)N(C)C;GKUSFYVGQYKKBE-UHFFFAOYSA-N;129.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160040;MM160040;CC(C(F)C#N)N(C)C;IHQRRYISNCCMKE-UHFFFAOYSA-N;130.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160041;MM160041;CC(C)C(C)N(C)C=N;ZONDTMJZURPZSZ-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160042;MM160042;CC(C)C(C)N(C)C=O;WJBFOGYGXQSIRX-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160043;MM160043;CC(N)C(C)N(C)C=O;JDJNLLUTKSYVPY-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160044;MM160044;CC(O)C(C)N(C)C=O;OCQGTPVNNWCPHH-UHFFFAOYSA-N;131.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160045;MM160045;CC(O)C(C)N(N)C=N;DJPOJFRKGSRLGD-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160046;MM160046;CN(CC=NN)NC=O;BKPLXWIKEQKCOF-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160047;MM160047;C=NN(C)C(C)C(C)C;YBXUEYSUBFSAKB-UHFFFAOYSA-N;128.22;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160048;MM160048;C=NN(C)C(C)C(C)N;YPSBEOWHUZTXJO-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160049;MM160049;C=NNCC(=O)C(F)F;MHHCXJGCHYPLCQ-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160050;MM160050;C=NN(C)C(C)C(C)F;GDYZDJYFSQMLRA-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160051;MM160051;C=CC(C)N(C)C(C)C;PUYKXSGEYHWLAD-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160052;MM160052;C#CC(C)C(C)C(C)C;LLUGBSHGIBPTSQ-UHFFFAOYSA-N;124.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160053;MM160053;N=CN1N=CC(O)C1=N;MQXZJWFIBIWQDL-UHFFFAOYSA-N;126.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160054;MM160054;C#CC(C)C(C)C(C)F;HCKROIUMVPPRBR-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160055;MM160055;C#CC(C)C(C)C(F)F;GUTHAORNLRFUCH-UHFFFAOYSA-N;132.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160056;MM160056;C#CC(N)C(C)C(C)N;NZIUMXGPAYFHFI-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160057;MM160057;C#CC(N)C(C)C(C)O;ARESMRLEHQGJGJ-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160058;MM160058;C#CC(O)C(C)C(C)C;RLTHPUADKCAALN-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160059;MM160059;C#CC(O)C(C)C(C)N;PXJZFRRRYGJIOY-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160060;MM160060;C#CC(O)C(C)C(C)O;GRBPZKVPVMCAEO-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160061;MM160061;C#CC(O)C(C)C(F)F;JMBANEYKZKQWBW-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160062;MM160062;C#CC(F)C(C)C(C)C;OHCZYQKHHGVACP-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160063;MM160063;C#CC(F)C(C)C(C)N;JGOVJYBBTFQVEJ-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160064;MM160064;C#CC(F)C(C)C(C)O;LCVNTIYUHCLNNN-UHFFFAOYSA-N;130.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160065;MM160065;C#CC(C)C(N)C(C)N;RCKNBKMADIOIMQ-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160066;MM160066;C#CC(N)C(N)C(C)C;VHXSRLKCIQPCPU-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160067;MM160067;C#CC(N)C(N)C(C)F;YQLQLUZHTGYDLR-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160068;MM160068;C#CC(O)C(N)C(C)C;IILPYSGFCSOFAU-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160069;MM160069;C#CC(F)C(N)C(C)C;WTDKBRXZSUZGCV-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160070;MM160070;C#CC(C)C(O)C(F)F;RAKAHRWCXKCCLT-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160071;MM160071;C#CC(N)C(O)C(C)C;MMGREZKWYYWFSZ-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160072;MM160072;C#CC(N)C(O)C(C)N;XODJSGBOVOKVJO-UHFFFAOYSA-N;128.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160073;MM160073;C#CC(N)C(O)C(C)F;JNPXXERMEACKCJ-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160074;MM160074;C#CC(O)C(O)C(C)N;YLSBSNSIMJYTQV-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160075;MM160075;C#CC(O)C(O)C(C)O;ZRYOFMRQTXJVFL-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160076;MM160076;C#CC(O)C(O)C(C)F;BRPCORPJEJEPDP-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160077;MM160077;C#CC(F)C(O)C(C)N;WJGJWPAZTPTUEL-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160078;MM160078;C#CC(F)C(O)C(C)F;OXYKRWDWJNHEFR-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160079;MM160079;C#CC(C)C(F)C(C)C;ROIRWJSUMSHAAK-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160080;MM160080;C#CC(C)C(F)C(C)N;LTHMVAXCBOQUCI-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160081;MM160081;C#CC(O)C(F)C(C)C;XGKWYPRXUFSPOH-UHFFFAOYSA-N;130.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160082;MM160082;C#CC(C)C(C)N(C)C;PWAOYCFOGAPWLT-UHFFFAOYSA-N;125.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160083;MM160083;C#CC(C)N(C)C(C)C;IKVZNWQNDPWKLX-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160084;MM160084;C=C(C)C(C)C(C)CC;OQDSVTZNJJOWBJ-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160085;MM160085;C=C(C)C(C)C(C)CN;AIOUZOSNAOVAOX-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160086;MM160086;CCC(C=O)NNC=O;UGJBNNIAOLLQRE-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160087;MM160087;C=C(C)C(C)C(C)CF;NCCHTHJWUZBDAQ-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160088;MM160088;CCC(C)C(C)C(C)=O;YGXOERUAAWTDEV-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160089;MM160089;CC(=O)C(C)C(C)CF;ZLBUBZFDHYZKHV-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160090;MM160090;CCC(C)C(C)C(=N)N;LTFJBJFFWGAQOM-UHFFFAOYSA-N;128.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160091;MM160091;CC(CN)C(C)C(=N)N;IARJIQLTXNHETD-UHFFFAOYSA-N;129.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160092;MM160092;C=C(F)CC(C)NNC=O;TWIMHKLSEDGPGI-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160093;MM160093;CCC(C)C(C)C(=O)O;LBUDVZDSWKZABS-UHFFFAOYSA-N;130.19;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160094;MM160094;C=C(F)C(C)C(C)CC;IEIAXECOXZEGTN-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160095;MM160095;C=C(C)C(C)C(N)CC;UTXNOVDZYJNJAN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160096;MM160096;CCC(N)C(C)C(=N)N;IAQMCZIDUXTMDX-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160097;MM160097;CC(C(=N)N)C(N)CF;HAOKRNHDJKVLJY-UHFFFAOYSA-N;133.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160098;MM160098;CN(C)C=NC(=O)C(N)=O;DTVUERNSDFWKIP-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160099;MM160099;CCC(O)C(C)C(C)=O;KOFQZZHOSWGVHP-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160100;MM160100;CC(=O)C(C)C(O)CO;YFEDHAOQJOZUIL-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160101;MM160101;CCC(O)C(C)C(=N)N;XGFYPFFETROUDX-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160102;MM160102;CCC(O)C(C)C(N)=O;PYSPRRVCQQFCIV-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160103;MM160103;CC(C(N)=O)C(O)CN;BYCHRPNONSPFBU-UHFFFAOYSA-N;132.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160104;MM160104;C=C(F)C(C)C(O)CC;QAMJVPHTKKQIJC-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160105;MM160105;C=C(C)C(C)C(F)CF;UWFGNLLOVYHWAK-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160106;MM160106;CCC(F)C(C)C(C)=O;ASAPYCACUATIAD-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160107;MM160107;CCC(F)C(C)C(=N)N;GFISPGLWLQVEPO-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160108;MM160108;CC(C(N)=O)C(F)CF;SWLNGCXDAIVNBZ-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160109;MM160109;Cn1cnc(=N)nc1O;RHJJMHTYURSZGB-UHFFFAOYSA-N;126.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160110;MM160110;C=C(F)C(C)C(F)CC;VKDRTHKEUJKLSZ-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160111;MM160111;C=C(F)C(C)C(F)CF;BYNIXBNIXDJCJH-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160112;MM160112;C=C(C)C(N)C(C)CC;FTPPGKJPIAHMMC-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160113;MM160113;CCC(C)C(N)C(=N)N;VXZFDGDOHGISDZ-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160114;MM160114;CC(CN)C(N)C(=N)N;JZSGXWGJWPPBOE-UHFFFAOYSA-N;130.2;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160115;MM160115;CCC(C)C(N)C(N)=O;JDAMFKGXSUOWBV-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160116;MM160116;C=C(F)C(N)C(C)CC;UZPXCQCYXSWVBK-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160117;MM160117;C=C(C)C(N)C(N)CN;ONPURPFUERGYFY-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160118;MM160118;C=C(C)C(N)C(N)CO;ONIBGWHCSWOFCV-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160119;MM160119;N=C(N)C(N)C(N)CO;JSCKBZITURQHCM-UHFFFAOYSA-N;132.17;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160120;MM160120;NCC(N)C(N)C(N)=O;QWHMEHYKYPXGNM-UHFFFAOYSA-N;132.17;-2.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160121;MM160121;C=C(F)C(N)C(N)CO;NQELNDNOWJWFTQ-UHFFFAOYSA-N;134.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160122;MM160122;C=C(C)C(N)C(O)CN;FDDWRYGPZQLATI-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160123;MM160123;C=C(C)C(N)C(O)CO;DJXZGYNMVOHEDW-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160124;MM160124;C=C(C)C(N)C(O)CF;VQGGOEZLBQJWQJ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160125;MM160125;N=C(N)C(N)C(O)CF;SAJNJXIKMDXVMH-UHFFFAOYSA-N;135.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160126;MM160126;C=C(C)C(N)C(F)CC;MGRQCEPOBJKJRK-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160127;MM160127;N=C(N)C(N)C(F)CN;YDWYCQXYNMFKJW-UHFFFAOYSA-N;134.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160128;MM160128;N=C(N)C(N)C(F)CO;OJXXBXGNUYCUCK-UHFFFAOYSA-N;135.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160129;MM160129;C=C(C)C(O)C(C)CF;VGXLIMICEGGFII-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160130;MM160130;CC(CN)C(O)C(=N)N;TUCZOOJNLJLOKB-UHFFFAOYSA-N;131.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160131;MM160131;CC(CO)C(O)C(=N)N;FTJRGAWXZCNFJE-UHFFFAOYSA-N;132.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160132;MM160132;CCC(C)C(O)C(N)=O;GEZTUEGDQNTTPW-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160133;MM160133;CCC(N)C(O)C(=N)N;YGJXOWQONLGKEM-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160134;MM160134;N=C(N)C(O)C(N)CN;HNGKQVYOJYXZCM-UHFFFAOYSA-N;132.17;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160135;MM160135;N=C(N)C(O)C(N)CO;QAUOZVYXFZVFQU-UHFFFAOYSA-N;133.15;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160136;MM160136;N=C(N)C(O)C(N)CF;JPPDJQRXRMHZGB-UHFFFAOYSA-N;135.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160137;MM160137;NCC(N)C(O)C(N)=O;UKOPIUHDHBCFBL-UHFFFAOYSA-N;133.15;-2.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160138;MM160138;C=C(F)C(O)C(N)CO;PJQJSTSKEKNMBC-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160139;MM160139;C=C(F)C(O)C(N)CF;LILSHKYCVXNLDC-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160140;MM160140;C=C(C)C(O)C(O)CF;YAPZGBLWOHIGRB-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160141;MM160141;CC(=O)C(O)C(O)CO;IGUZJYCAXLYZEE-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160142;MM160142;CC(=O)C(O)C(O)CF;PVLUHLKQKSILJL-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160143;MM160143;CCC(O)C(O)C(=N)N;QAZXVHXSHVIVNM-UHFFFAOYSA-N;132.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160144;MM160144;N=C(N)C(O)C(O)CN;NMERSYBUJQBGKN-UHFFFAOYSA-N;133.15;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160145;MM160145;N=C(N)C(O)C(O)CO;AOPNVCLMBPMXBS-UHFFFAOYSA-N;134.14;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160146;MM160146;N=C(N)C(O)C(O)CF;IDSBAWKJTILKOQ-UHFFFAOYSA-N;136.13;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160147;MM160147;CCC(O)C(O)C(N)=O;OMNFDFIARDHVRD-UHFFFAOYSA-N;133.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160148;MM160148;NCC(O)C(O)C(N)=O;QODBYSWCKYXVCS-UHFFFAOYSA-N;134.14;-2.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160149;MM160149;NC(=O)C(O)C(O)CO;APCDJAFTHLPEKO-UHFFFAOYSA-N;135.12;-2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160150;MM160150;NC(=O)C(O)C(O)CF;OMGXUAIOSGTEGD-UHFFFAOYSA-N;137.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160151;MM160151;O=c1on(O)c(=O)cc1F;LHHCCFMYCDWEEP-UHFFFAOYSA-N;147.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160152;MM160152;Cn1c(=O)ncn(O)c1=O;RSWHXBUHBNGDGY-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160153;MM160153;C=C(F)C(O)C(O)CN;WRXSKJLEUQJHNZ-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160154;MM160154;C=C(F)C(O)C(O)CO;JGBQTXHKXAEMOT-UHFFFAOYSA-N;136.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160155;MM160155;C=C(F)C(O)C(O)CF;MHIYICGBJMSZCO-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160156;MM160156;C=C(C)C(O)C(F)CN;MAEZYPSUGLQENG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160157;MM160157;CC(=O)C(O)C(F)CO;VCLKHSNKFYRFCN-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160158;MM160158;N=C(N)C(O)C(F)CN;ARJAHTRHDXGITQ-UHFFFAOYSA-N;135.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160159;MM160159;NC(=O)C(O)C(F)CO;WONPPKIVYYPBJU-UHFFFAOYSA-N;137.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160160;MM160160;O=c1cc(F)on1O;QIUYAEUUTLOWKU-UHFFFAOYSA-N;119.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160161;MM160161;O=c1c(=NO)occn1O;WAITVZVKCATYGN-UHFFFAOYSA-N;144.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160162;MM160162;C=C(C)C(F)C(C)CF;SBZKNMLSRYSDJG-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160163;MM160163;CCC(C)C(F)C(C)=O;ASNBPKOZHRYSHP-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160164;MM160164;CC(=O)C(F)C(C)CF;MFVKBKWYKMGFJI-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160165;MM160165;CCC(C)C(F)C(=O)O;HQIXPQDQUCAWDW-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160166;MM160166;CC(CF)C(F)C(=O)O;MKXUYSGNNNLWMK-UHFFFAOYSA-N;138.11;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160167;MM160167;C=C(F)C(F)C(C)CN;GCXGNXKBPBSYES-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160168;MM160168;C=C(C)C(F)C(N)CC;RPDSTKGGOYLDRK-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160169;MM160169;N=C(N)C(F)C(N)CN;AOXALXIUTMRWQT-UHFFFAOYSA-N;134.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160170;MM160170;C=C(C)C(F)C(O)CC;MRLLOCNACKJEQB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160171;MM160171;C=C(C)C(F)C(O)CN;YPVGKVCXUTVFKG-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160172;MM160172;N=C(N)C(F)C(O)CN;ZTZGUDOFKDDQPK-UHFFFAOYSA-N;135.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160173;MM160173;NC(=O)C(F)C(O)CO;LUDBSJDAKKCBCN-UHFFFAOYSA-N;137.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160174;MM160174;NC(=O)C(F)C(O)CF;OYHSFINCSBEPIA-UHFFFAOYSA-N;139.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160175;MM160175;C=C(C)C(F)C(F)CN;VBHJUAGBLPQCKY-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160176;MM160176;CCC(F)C(F)C(C)=O;VDJZOWWNXQFFNI-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160177;MM160177;CCC(F)C(F)C(=O)O;MGNULGFNLVIGBL-UHFFFAOYSA-N;138.11;1.16;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160178;MM160178;CNC(C)C(O)C(=N)N;MRFWSRVJYHSDQY-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160179;MM160179;CNC(C)C(O)C(N)=O;KUXMORFZLTXADV-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160180;MM160180;C=C(F)C(F)C(C)NC;ZJCBJVXOBHHYGY-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160181;MM160181;C=C(C)C(C)C(C)OC;CYRNPJUKGJRMSN-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160182;MM160182;COC(C)C(C)C(C)=O;ULLQJCPMKDOMMQ-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160183;MM160183;COC(C)C(C)C(=N)N;JENUDDWVRIUTOC-UHFFFAOYSA-N;130.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160184;MM160184;COC(C)C(C)C(N)=O;MOYCOKPPLRRGRF-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160185;MM160185;O=c1c(=NO)ccon1O;FSTMYILMMUUIRB-UHFFFAOYSA-N;144.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160186;MM160186;C=C(C)C(N)C(C)OC;YEHFJDXHIWYVKP-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160187;MM160187;COC(C)C(O)C(=N)N;ANBGSFSRLJWPRM-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160188;MM160188;COC(C)C(O)C(N)=O;CBAIXBPLBADKND-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160189;MM160189;COc1con(O)c1=O;KJEPUCNGUQPJOM-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160190;MM160190;C=C(F)C(O)C(C)OC;XIUHGGWHIQSEGF-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160191;MM160191;CCC(C)N(C)C(C)=N;HYNFCOCGZMXSBV-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160192;MM160192;CC(=N)N(C)C(C)CN;BFJDLGOTFIPNOF-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160193;MM160193;CC(=O)N(C)C(C)CO;KXZITTYGRTVGGP-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160194;MM160194;CC(CO)N(C)C(=N)N;DIEPDQBDUBRDSQ-UHFFFAOYSA-N;131.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160195;MM160195;CC(CF)N(C)C(=N)N;CPDYSQPDTIFIRE-UHFFFAOYSA-N;133.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160196;MM160196;C=C(C)COCC(=O)NN;VPDTVUQUDVUVJJ-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160197;MM160197;CC(CO)N(C)C(N)=O;STIPKSVOGXYNDG-UHFFFAOYSA-N;132.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160198;MM160198;CCC(C)N(N)C(C)=O;JOYDENJLONITRA-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160199;MM160199;CC(=O)N(N)C(C)CF;USEVVKJTBJKYII-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160200;MM160200;CC(CO)N(N)C(=N)N;CCNZAABBPKQNGD-UHFFFAOYSA-N;132.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160201;MM160201;CC#CC(N)=CC(=O)NN;UMFCFZRHEYINQI-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160202;MM160202;CC(CO)N(O)C(=N)N;YHYCMLIKLGAACD-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160203;MM160203;CC(CN)N(O)C(N)=O;NOEOOIJXKMFFJU-UHFFFAOYSA-N;133.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160204;MM160204;CC(CO)N(O)C(N)=O;VWIXUUAFPYWQDE-UHFFFAOYSA-N;134.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160205;MM160205;CC(CF)N(O)C(N)=O;WWTBDSJZGCXSED-UHFFFAOYSA-N;136.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160206;MM160206;C=CC(C)C(C)C(=C)C;KYHVVYNPAFTFHW-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160207;MM160207;C=C(C)C(C)C(C)C=O;QYBMRCDWXBWNBP-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160208;MM160208;C=C(C)C(C)C(C)C#N;GAFHVIFGJJKXSO-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160209;MM160209;C=CC(C)C(C)C(C)=O;HXVTYHADXTWQFJ-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160210;MM160210;CC(=O)C(C)C(C)C=O;HAWVAHQORBUMCP-UHFFFAOYSA-N;128.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160211;MM160211;C=CC(C)C(C)C(=N)N;WBYHIVOIXRPLKJ-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160212;MM160212;CC(C=O)C(C)C(=N)N;HPYIIQBPGLYUHW-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160213;MM160213;CC(=O)NN(C)C(C)CO;ZTKNRISFMLRCDH-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160214;MM160214;CC(C=O)C(C)C(N)=O;IYSNFZSOTINUGF-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160215;MM160215;C=CC(C)C(C)C(=O)O;NYXARVSETVGSTO-UHFFFAOYSA-N;128.17;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160216;MM160216;Cc1nc(=O)[nH]c(=N)o1;SXTSANCDFPTNSI-UHFFFAOYSA-N;127.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160217;MM160217;C=C(F)C(C)C(C)C=O;NPXXHYGBLJQTQE-UHFFFAOYSA-N;130.16;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160218;MM160218;C=C(F)C(C)C(C)C#N;GPYJYVCQFBZYOM-UHFFFAOYSA-N;127.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160219;MM160219;C=CC(N)C(C)C(=C)C;QQQJTTYOOLJXEL-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160220;MM160220;C=CC(N)C(C)C(=N)N;CWGLKWBTOUWWCO-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160221;MM160221;C=CC(N)C(C)C(=C)F;GNJKLHUKMZQDCH-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160222;MM160222;C=CNC(=O)ONC=NN;VQPIXHSGZYLBQJ-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160223;MM160223;C=C(C)C(C)C(O)C#N;DKMYJSCSFNJICB-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160224;MM160224;CC(=O)C(C)C(O)C=O;CNXOXIGBCIQETQ-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160225;MM160225;C=CC(O)C(C)C(=N)N;MFFZLXHHUJHIAJ-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160226;MM160226;CC(C(=N)N)C(O)C#N;CVLMEQVPQPPIFQ-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160227;MM160227;C=CC(O)C(C)C(N)=O;KPCSESCNWSRXGO-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160228;MM160228;CC(C(N)=O)C(O)C=O;BGWHGCKDEXHOKB-UHFFFAOYSA-N;131.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160229;MM160229;C=C(F)C(C)C(O)C#N;LDFZULQMHWIBGH-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160230;MM160230;C=CC(F)C(C)C(=C)C;WRUOTXVSURIJLS-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160231;MM160231;C=CC(F)C(C)C(C)=O;LREPZPVPXFGIFC-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160232;MM160232;CC(=O)C(C)C(F)C=O;YRJKDEXAGGNDQG-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160233;MM160233;CC(=O)C(C)C(F)C#N;HZEGYTGVPCAJBJ-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160234;MM160234;CC(C(=N)N)C(F)C#N;WZMBLQIRGDDTQE-UHFFFAOYSA-N;129.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160235;MM160235;CC(C(N)=O)C(F)C#N;OSFSGYMCBGOAMK-UHFFFAOYSA-N;130.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160236;MM160236;C=CC(F)C(C)C(=O)O;UOBUZLNLIBVOQF-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160237;MM160237;CC(C(=O)O)C(F)C#N;BOBGBWPTJXLMNK-UHFFFAOYSA-N;131.11;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160238;MM160238;C=CC(F)C(C)C(=C)F;DRGVWAFYCRWLAK-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160239;MM160239;C=CC(C)C(N)C(=C)C;LVOYZKXZCDGNTF-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160240;MM160240;C=CC(C)C(N)C(=N)N;OOPGVORTJUTFMM-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160241;MM160241;C=CC(C)C(N)C(N)=O;KSHZSOGIBAZLDV-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160242;MM160242;C=CC(C)C(N)C(=C)F;AZYXQAJLTQRMHL-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160243;MM160243;C=CC(N)C(N)C(=N)N;JESZMZDOIZNKEM-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160244;MM160244;CC(C=O)C(O)C(=N)N;UBOUBUATPISMJV-UHFFFAOYSA-N;130.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160245;MM160245;CC(C=O)C(O)C(N)=O;OVXGPJGSVVCXGW-UHFFFAOYSA-N;131.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160246;MM160246;CCc1nc(=O)n(O)n1O;FNBZTQDXMRYOEK-UHFFFAOYSA-N;145.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160247;MM160247;C=C(F)C(O)C(C)C#N;PZKCGPZNSQBVHM-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160248;MM160248;C=CC(N)C(O)C(=N)N;KCZIHKQRCKCGFF-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160249;MM160249;CC(=O)C(O)C(O)C#N;ISKGNQIXNWTMBX-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160250;MM160250;C=CC(O)C(O)C(=N)N;UTLDYSHWHWQISM-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160251;MM160251;N=C(N)C(O)C(O)C=O;WTLWCUCZNLULOQ-UHFFFAOYSA-N;132.12;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160252;MM160252;C=CC(O)C(O)C(N)=O;KDOQRFKQMOBOMZ-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160253;MM160253;NC(=O)C(O)C(O)C=O;RLNFMJDVGVEXMU-UHFFFAOYSA-N;133.1;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160254;MM160254;CC=NN=c1occ(O)o1;FPJMJBBVJMRVJC-UHFFFAOYSA-N;142.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160255;MM160255;C=CCc1nc(O)no1;YISWNKZHMIHIGU-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160256;MM160256;Oc1cc(O)c(F)o1;UIMTUIXVFMLYQP-UHFFFAOYSA-N;118.06;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160257;MM160257;C=C(F)C(O)C(O)C=O;UFJNMESZYYCFAV-UHFFFAOYSA-N;134.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160258;MM160258;CC(=O)C(O)C(F)C=O;BOFQKPYGKISWCV-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160259;MM160259;N=C(N)C(O)C(F)C=O;DBLYYBKRYIFPCY-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160260;MM160260;C=CC(F)C(O)C(=C)F;BDFBBEKAZHZTAE-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160261;MM160261;C=C(F)C(O)C(F)C=O;UEXUQQLHEDCTIE-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160262;MM160262;C=C(F)C(O)C(F)C#N;VLDCVYWWBNDJJT-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160263;MM160263;CC(=O)C(F)C(C)C=O;UFSMHIKTXOUAQM-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160264;MM160264;CC(C=O)C(F)C(N)=O;GWOMSLDSFPNILW-UHFFFAOYSA-N;133.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160265;MM160265;C=CC(C)C(F)C(=O)O;DBOXMANNAFULMX-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160266;MM160266;C=CC(C)C(F)C(=C)F;FUUCEBPJUIVDTM-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160267;MM160267;CC(=O)C(F)C(O)C=O;AILBKLPSFIEFHV-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160268;MM160268;C=C(F)C(F)C(O)C=O;FQYFXKWBSOPYNY-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160269;MM160269;C=C(F)C(F)C(O)C#N;UXYPISTUOSSLQP-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160270;MM160270;C=C(C)C(F)C(F)C=O;PXBYHNAEERPAJT-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160271;MM160271;C=C(C)C(C)N(C)C=N;FBNXKNDVZMOLGE-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160272;MM160272;C=C(C)C(C)N(C)C=O;ZJRBOUNGVUPTBP-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160273;MM160273;CC(C(=N)N)N(C)C=N;PFGJUQGRNZEOQP-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160274;MM160274;CC(C(N)=O)N(C)C=N;FWLSQWUDUFIAJH-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160275;MM160275;C=C(F)C(C)N(C)C=O;BRGZDWZLLAUQJJ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160276;MM160276;CC(C(=N)N)N(N)C=O;HRWSADRLQOHPGJ-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160277;MM160277;O=CC(F)(F)C(=O)C=NO;MDHSVJDJTKAHFB-UHFFFAOYSA-N;151.07;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160278;MM160278;OCC(=NO)OC=C(F)F;ZBISTAIMJQSYCG-UHFFFAOYSA-N;153.08;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160279;MM160279;C=NN(C)C(C)C(=C)F;FNEPVGXUJKGUBR-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160280;MM160280;C=CC(C)N(C)C(C)=O;VTIDUMISAXOFJX-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160281;MM160281;CNNC(=O)N(C)CCO;UJRCGXVIRGMYFG-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160282;MM160282;CC(C=O)N(C)C(=N)N;GXGQVUXYGXBMPI-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160283;MM160283;CC(C=O)N(C)C(N)=O;GIGXGHWVPQHCPP-UHFFFAOYSA-N;130.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160284;MM160284;C=CC(C)N(O)C(C)=N;REYQRZSBKWOHEB-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160285;MM160285;CC(C=O)N(O)C(N)=O;RVYMXCLICZXBJQ-UHFFFAOYSA-N;132.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160286;MM160286;CC(=N)N(C)N(C)C=N;PZLQFQNTMAZHKF-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160287;MM160287;CC(=N)N(C)N(C)C=O;XKTLSAKVFYRFEV-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160288;MM160288;CC(=O)N(C)N(C)C=N;CJZKCOBUMCJIRL-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160289;MM160289;CC(=O)N(C)N(C)C=O;PJFYWLKEIWNYKZ-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160290;MM160290;CN(C=O)N(C)C(=N)N;OWUNRCJTLMTYLJ-UHFFFAOYSA-N;130.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160291;MM160291;CN(C=N)N(C)C(N)=O;IPBPXTAFRTWGAR-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160292;MM160292;CN(C=O)N(C)C(N)=O;ACFJEVGTJYRTLQ-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160293;MM160293;C#CC(C)C(C)C(=C)C;BLSVVTLUKZUFOT-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160294;MM160294;C#CC(C)C(C)C(C)=O;JFNXDRXFCRLBAO-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160295;MM160295;C#CC(C)C(C)C(N)=O;SMTIEIROKVTQBC-UHFFFAOYSA-N;125.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160296;MM160296;C#CC(C)C(C)C(=C)F;YKWRZEQOZIZFDA-UHFFFAOYSA-N;126.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160297;MM160297;C#CC(N)C(C)C(=N)N;PXTANANEAREICK-UHFFFAOYSA-N;125.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160298;MM160298;C#CC(O)C(C)C(=N)N;GZROFMOKVHOGCC-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160299;MM160299;C#CC(O)C(C)C(N)=O;WIYGCEWGYBQKTG-UHFFFAOYSA-N;127.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160300;MM160300;C#CC(O)C(C)C(=C)F;VNUUMUJLTJSEMM-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160301;MM160301;C#CC(F)C(C)C(=C)C;FNMDMDZZLVOJFI-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160302;MM160302;C#CC(F)C(C)C(C)=O;QZYMQQGVKXYZTG-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160303;MM160303;C#CC(F)C(C)C(=N)N;IFOHFAFILIHMSG-UHFFFAOYSA-N;128.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160304;MM160304;C#CC(F)C(C)C(N)=O;LFCRKZCNPZKTLN-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160305;MM160305;C#CC(N)C(N)C(=C)C;ZXTVKCSBDSWULQ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160306;MM160306;C#CC(N)C(N)C(=N)N;ZHZWTJWNUWUNOL-UHFFFAOYSA-N;126.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160307;MM160307;C#CC(O)C(N)C(=C)C;DNKNFDDKFZQECC-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160308;MM160308;C#CC(F)C(N)C(=N)N;MDKSLVVAFGSZKY-UHFFFAOYSA-N;129.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160309;MM160309;C#CC(C)C(O)C(N)=O;VIGMNADJSOCHIU-UHFFFAOYSA-N;127.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160310;MM160310;C#CC(N)C(O)C(=C)C;BUMUKSSBWWIVDU-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160311;MM160311;C#CC(N)C(O)C(=N)N;UYVCPOJDQATLCH-UHFFFAOYSA-N;127.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160312;MM160312;C#CC(N)C(O)C(=C)F;NWTWIJDOTZEXTF-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160313;MM160313;C#CC(O)C(O)C(C)=O;WFYANIGYEKGDOM-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160314;MM160314;C#CC(O)C(O)C(=N)N;CFLMEXHBNHAQLD-UHFFFAOYSA-N;128.13;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160315;MM160315;C#CC(O)C(O)C(N)=O;BXNILQCXJAAUNT-UHFFFAOYSA-N;129.12;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160316;MM160316;C=CC#Cc1nn[nH]n1;IUURJJQPQTWSAG-UHFFFAOYSA-N;120.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160317;MM160317;C#CC(F)C(O)C(N)=O;KDGGODDEAFKESP-UHFFFAOYSA-N;131.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160318;MM160318;C#CC(F)C(O)C(=C)F;SCWACEAFUPEDLR-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160319;MM160319;C#CC(O)C(F)C(=C)C;PSDHNAUQXAWRPJ-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160320;MM160320;C#CC(C)N(C)C(C)=O;JEFRWOPVVZJUDI-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160321;MM160321;C#CC(C)N(C)C(=N)N;RKEQVIPHRNPJHH-UHFFFAOYSA-N;125.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160322;MM160322;C#CC(C)N(C)C(N)=O;DLJMGHHGHNZBGA-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160323;MM160323;C#CC(C)N(N)C(=N)N;ZWBWDPXJAIHVEW-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160324;MM160324;CNC(C#N)C(O)C(C)F;ZUBOWVAKAOAFOZ-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160325;MM160325;C#CC(C)N(O)C(=N)N;BZVJPMBWDMUNQG-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160326;MM160326;C#CC(C)N(O)C(N)=O;IVSHIKQOYOZOFK-UHFFFAOYSA-N;128.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160327;MM160327;C=C(CC)C(C)C(C)C;GWQDWHCMJNSSLU-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160328;MM160328;C=C(CN)C(C)C(C)C;OAXCDHQBZHWYRA-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160329;MM160329;Cc1[nH]c(CC#N)nc1N;PWGMNGGDJXMNKU-UHFFFAOYSA-N;136.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160330;MM160330;C=C(CF)C(C)C(C)C;SNENCIZODDDUAT-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160331;MM160331;Cn1c(=O)nc(N)[nH]c1=N;QVHHLQSBIGYKSY-UHFFFAOYSA-N;141.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160332;MM160332;C=C(CO)C(C)C(C)O;XZCKTIFQDPVKNU-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160333;MM160333;C=C(CF)C(C)C(C)O;XNKYUTQINUTOCJ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160334;MM160334;C=C(CC)C(C)C(C)F;GBOVFQXMJGFORO-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160335;MM160335;C=C(CC)C(C)C(F)F;KRXDWRDZYGZNGP-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160336;MM160336;C=C(CN)C(C)C(F)F;DGOXTJIHGIYSHE-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160337;MM160337;C=C(CF)C(C)C(F)F;MMUAILAEWCQXPI-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160338;MM160338;CCC(=O)C(C)C(C)C;JVFPPVJPLCFTIW-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160339;MM160339;CC(C)C(C)C(=O)CF;QSTPNYBFXSOAQQ-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160340;MM160340;CCC(=O)C(C)C(C)O;KEDWFAKTLVWTRU-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160341;MM160341;CC(O)C(C)C(=O)CO;UAFCVHAXODPLTF-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160342;MM160342;CCC(=O)C(C)C(C)F;JERYAPMENGBWPC-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160343;MM160343;CC(F)C(C)C(=O)CF;QRBCSYULVMNZCJ-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160344;MM160344;CC(C(=O)CO)C(F)F;ODRONOVLSFAPBX-UHFFFAOYSA-N;138.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160345;MM160345;C=C(CC)C(N)C(C)C;KVFGMJCUNLDCGU-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160346;MM160346;C=C(CF)C(N)C(C)C;INLSKTKPLBBZHP-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160347;MM160347;C=C(CO)C(N)C(C)N;WYWLUWSPNDFSOL-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160348;MM160348;C=C(CF)C(N)C(C)N;QQDGYNXJHQSBRM-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160349;MM160349;C=C(CN)C(N)C(C)O;ARNZAUKZOPVPBJ-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160350;MM160350;C=C(CC)C(N)C(C)F;WMTPTIZMCIBDLJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160351;MM160351;C=C(CN)C(N)C(C)F;WOGFTAOOWYBEOE-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160352;MM160352;C=C(CN)C(O)C(C)N;AVTCMYIRIQPRPO-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160353;MM160353;C=C(CO)C(O)C(C)N;UBVOISFLOBYXNF-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160354;MM160354;C=C(CC)C(O)C(C)O;AECVJNCRTPETPN-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160355;MM160355;CCC(=O)C(O)C(C)O;CTVROEFFDORDNM-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160356;MM160356;CC(O)C(O)C(=O)CO;MRKRITSFTIHTAQ-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160357;MM160357;CC(O)C(O)C(=O)CF;GMAOXPDHRHANOE-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160358;MM160358;CCC(=O)C(O)C(F)F;QMJQNOULSWEYBO-UHFFFAOYSA-N;138.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160359;MM160359;O=C(CO)C(O)C(F)F;YCNZPEJODBDHNG-UHFFFAOYSA-N;140.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160360;MM160360;C=C(CN)C(F)C(C)C;LNPXOIBMJLCJTF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160361;MM160361;C=C(CC)C(F)C(C)N;QRQOIOAHSXHKBL-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160362;MM160362;C=C(CC)C(F)C(C)F;JHACKYFKERNBID-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160363;MM160363;C=C(CC)C(F)C(F)F;VMNIIVOWKLNINR-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160364;MM160364;CCC(=O)C(F)C(C)C;GWMIJKWWIRCWHY-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160365;MM160365;CC(F)C(F)C(=O)CO;XLGFLENAMXFGNC-UHFFFAOYSA-N;138.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160366;MM160366;CC(N)C(C)C(=N)NO;CHUVTYDXOKHZKO-UHFFFAOYSA-N;131.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160367;MM160367;CC(O)C(C)C(=N)NN;MFHNBWBOUCAAJY-UHFFFAOYSA-N;131.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160368;MM160368;CC(O)C(C)C(=N)NO;WJHRICDZIREZON-UHFFFAOYSA-N;132.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160369;MM160369;CNC(=N)C(C)C(F)F;MQZISUOKHZMXJV-UHFFFAOYSA-N;136.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160370;MM160370;CC(O)(C#CC1CN1)CO;KSKOTRYWWVEKJP-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160371;MM160371;CC(N)C(C)C(=O)NO;HHWAHYMOMBTUSU-UHFFFAOYSA-N;132.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160372;MM160372;CNC(=O)C(C)C(C)O;ZKHVURMVVUJAEF-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160373;MM160373;CCC(=N)N(C)C(=O)NN;RTBPEHABPDGOAN-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160374;MM160374;CNC(=O)C(C)C(C)F;HZUFVHMKHLGQSM-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160375;MM160375;CC(C)C(N)C(=N)NO;WWAQBEGTCLDSNU-UHFFFAOYSA-N;131.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160376;MM160376;CNC(=N)C(N)C(C)N;VXZJQNILWNJBLT-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160377;MM160377;CNC(=N)C(N)C(C)O;YDFZOUAMTXCVCP-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160378;MM160378;CNC(=N)C(O)C(C)N;YDBLMKPTFXHWMO-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160379;MM160379;CC(N)C(O)C(=N)NO;CYJHAMZTXFKPIO-UHFFFAOYSA-N;133.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160380;MM160380;CNC(=N)C(O)C(C)O;DFEVCLDDLNLRND-UHFFFAOYSA-N;132.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160381;MM160381;CC(O)C(O)C(=N)NN;IHKWMPLCTZAQBK-UHFFFAOYSA-N;133.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160382;MM160382;CNC(=N)C(O)C(C)F;YXIWYIJXIMHHFZ-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160383;MM160383;CC(F)C(O)C(=N)NN;JFNKYKQYXAXXHN-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160384;MM160384;N=C(NN)C(O)C(F)F;OJUFIPGUFWYFNE-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160385;MM160385;CNC(=O)C(O)C(C)N;KPINMEWFACRQBG-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160386;MM160386;CNC(=O)C(O)C(C)O;WXIAYHLHKHWACZ-UHFFFAOYSA-N;133.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160387;MM160387;CC(O)C(O)C(=O)NN;XFRHTZHQFWFSDQ-UHFFFAOYSA-N;134.14;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160388;MM160388;CC(O)C(O)C(=O)NO;XZDZOFBEAKHKTE-UHFFFAOYSA-N;135.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160389;MM160389;CNC(=O)C(O)C(C)F;HFILZABQXHNWDQ-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160390;MM160390;NNC(=O)C(O)C(F)F;QZRAPGDZKLYPKA-UHFFFAOYSA-N;140.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160391;MM160391;CN=C(C)N(C)C(=O)NN;KHDQTBYUQKXLPE-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160392;MM160392;CC(C)C(F)C(=O)NN;SDZBSSRMVJCGQL-UHFFFAOYSA-N;134.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160393;MM160393;CC(O)C(F)C(=O)NO;JDIAMLZLWUXDQX-UHFFFAOYSA-N;137.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160394;MM160394;C=C(OC)C(C)C(C)C;CTEJIITUMLRMOS-UHFFFAOYSA-N;128.22;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160395;MM160395;C=C(OC)C(C)C(C)N;MIETZEFPUNEEPT-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160396;MM160396;C=C(OC)C(C)C(C)O;XNLNZKVNVVQTLA-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160397;MM160397;COC(=O)C(C)C(C)C;YLXGEYQXFJAIBQ-UHFFFAOYSA-N;130.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160398;MM160398;COC(=O)C(C)C(C)F;WRHCABUOUOMDOB-UHFFFAOYSA-N;134.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160399;MM160399;COC(=O)C(C)C(F)F;IOGCFTQFFQORBX-UHFFFAOYSA-N;138.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160400;MM160400;C=C(OC)C(N)C(C)C;OWDNGQDWEKKVEX-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160401;MM160401;C=C(OC)C(N)C(C)N;NTCTYPKVAARSLS-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160402;MM160402;COC(=O)C(N)C(C)N;DJYPJSXCXDOIJF-UHFFFAOYSA-N;132.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160403;MM160403;COC(=O)C(N)C(C)F;NEZLXZLCTHMHAF-UHFFFAOYSA-N;135.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160404;MM160404;COC(=O)C(O)C(C)N;ZWEUQQKBVZDPQZ-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160405;MM160405;COC(=O)C(O)C(C)O;WSWXGWWRXBEESI-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160406;MM160406;COC(=O)C(F)C(C)C;ANSTUHJHPHPUJQ-UHFFFAOYSA-N;134.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160407;MM160407;C=C(CC)C(C)N(C)C;HNUQNHODXCOSDJ-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160408;MM160408;C=C(CF)C(C)N(C)C;QURASEYVCRDNAY-UHFFFAOYSA-N;131.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160409;MM160409;CC(C(=N)NO)N(C)C;JAPZVNKSUSWNSN-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160410;MM160410;C=C(OC)C(C)N(C)C;PVDQVKUAINVPTN-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160411;MM160411;CC(C)N(C)C(=N)CN;XZHBXDBTVXPUAX-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160412;MM160412;CC(C)N(C)C(=O)CO;PZONFCVSSSTTAP-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160413;MM160413;CCC(=N)N(N)C(C)C;OMMSVOUVVUFJCC-UHFFFAOYSA-N;129.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160414;MM160414;COC(=O)N(C)C(C)C;NZNCPZZLLGZSNY-UHFFFAOYSA-N;131.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160415;MM160415;CCC(=N)N(C)N(C)C;VRORBERCWUYQQK-UHFFFAOYSA-N;129.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160416;MM160416;CN(C)N(C)C(=N)CO;JQBBRFZUCXNSBW-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160417;MM160417;CNC(=N)N(C)N(C)C;GYTDGPIJHATTBB-UHFFFAOYSA-N;130.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160418;MM160418;CN(C)N(C)C(=N)NN;NJWSMQQELJNNHP-UHFFFAOYSA-N;131.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160419;MM160419;CN(C)N(C)C(=N)NO;FMAQUBCTYNEVLK-UHFFFAOYSA-N;132.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160420;MM160420;C#CC(CO)CNNC=O;YRMYUZIMDGBUJH-UHFFFAOYSA-N;142.16;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160421;MM160421;NC=C(C=O)CNNC=O;KEFYJQNUCXHAJN-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160422;MM160422;C=CC(=C)C(C)C(C)C;MJWGVWCPCHYEBX-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160423;MM160423;C=C(C=O)C(C)C(C)C;QUDBAGFQCACQMZ-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160424;MM160424;C=C(C#N)C(C)C(C)C;RWKUAKJXMGYZTR-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160425;MM160425;C=CC(=C)C(C)C(C)N;XXDUEOGKYAIMIL-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160426;MM160426;CNNC(=O)C(=CN)CO;IXGAWSCJMSCLSW-UHFFFAOYSA-N;145.16;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160427;MM160427;C=C(C#N)C(C)C(C)O;BRCKNLIOGQSPPK-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160428;MM160428;C=C(C=O)C(C)C(C)F;CZRRAZNWBGULSW-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160429;MM160429;C=C(C#N)C(C)C(C)F;HGHVWQZWBPSQBF-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160430;MM160430;C=CC(=C)C(C)C(F)F;AWXYGGADHXJXGR-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160431;MM160431;C=C(C=O)C(C)C(F)F;MLNJTGWLUVKBAJ-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160432;MM160432;C=CC(=O)C(C)C(C)C;OFCALRPJPLZNPK-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160433;MM160433;CC(C)C(C)C(=O)C#N;OQUQNLWGNUFKAQ-UHFFFAOYSA-N;125.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160434;MM160434;C=CC(=O)C(C)C(C)F;FTZVMNNTJNKEMN-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160435;MM160435;C=CC(=O)C(C)C(F)F;KIKZKSZOMLCEQK-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160436;MM160436;CC(C(=O)C=O)C(F)F;LERSYHOCSZVCLY-UHFFFAOYSA-N;136.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160437;MM160437;C=CC(=C)C(N)C(C)C;RQQPCDLSLMGUOI-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160438;MM160438;C=CC(=C)C(N)C(C)F;LCJYRUSPKPSIKW-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160439;MM160439;C=CC(=C)C(O)C(C)N;GMKWQHSJVYSVAG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160440;MM160440;C=CC(=C)C(O)C(C)O;BIYTYRCDEZVSOR-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160441;MM160441;C=C(C=O)C(O)C(C)O;IZSGJIWTUSXUEL-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160442;MM160442;C=C(C=O)C(O)C(C)F;ASKXWNYTFNPHST-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160443;MM160443;C=CC(=O)C(O)C(C)O;VUWAZBLZSUPVJT-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160444;MM160444;CC(O)C(O)C(=O)C=O;ZZBJXAQVUZOHTB-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160445;MM160445;C=CC(=O)C(O)C(F)F;NOTVZWBFNGNSJG-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160446;MM160446;C=C(C#N)C(F)C(C)C;DOTURRQLJKWTTL-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160447;MM160447;C=CC(=C)C(F)C(C)F;FBSZWGLJKVZIIF-UHFFFAOYSA-N;132.15;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160448;MM160448;C=C(C=O)C(F)C(C)F;UVXQEQSJHILIKA-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160449;MM160449;C=CC(=C)C(F)C(F)F;IPHFQSKCFQWNHD-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160450;MM160450;CC(C)C(F)C(=O)C#N;HOLAHGYTUVSCJR-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160451;MM160451;C=CC(=O)C(F)C(C)F;SBAMWDOMFUCFRU-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160452;MM160452;CC(F)C(F)C(=O)C=O;OSGBRNJLHRGNCF-UHFFFAOYSA-N;136.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160453;MM160453;N#CC(=O)C(F)C(F)F;AVOGWRSMTVJMPO-UHFFFAOYSA-N;137.06;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160454;MM160454;CC(C)N(C)C(=N)C=O;SNAOHKIYHSDXJW-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160455;MM160455;C=CC(=O)N(C)C(C)C;COYVWKMZTCAFHO-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160456;MM160456;C=CC(=N)N(N)C(C)C;DOJBBUALXLMFIM-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160457;MM160457;C=CC(=O)N(N)C(C)C;OJTJCJGVQBUABH-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160458;MM160458;C=CC(=N)N(O)C(C)C;NWXRANHTUYCWBU-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160459;MM160459;CN(C)N(C)C(=N)C=O;YKONVNCKOUUOBS-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160460;MM160460;C=CC(=O)N(C)N(C)C;AJOPONATNHILLB-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160461;MM160461;C#CC(=C)C(C)C(C)C;KZKXCDPQPWARKN-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160462;MM160462;C#CC(=C)C(C)C(C)N;VLSDEBFYLVATCG-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160463;MM160463;NN=CC(O)C(=NN)NO;IZXMPEVXYFAXPO-UHFFFAOYSA-N;147.14;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160464;MM160464;C#CC(=C)C(C)C(C)F;YMGNZDQTWQYJRU-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160465;MM160465;C#CC(=C)C(C)C(F)F;PPGAAXCMADTKPS-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160466;MM160466;C#CC(=O)C(C)C(C)C;ARRWPAVHMMHOOS-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160467;MM160467;C#CC(=O)C(C)C(F)F;FHBFEWPCXBAEHE-UHFFFAOYSA-N;132.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160468;MM160468;C#CC(=C)C(N)C(C)C;CFNMHJWBXVDRNA-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160469;MM160469;C#CC(=C)C(O)C(F)F;HPWKZXUVVBDDAX-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160470;MM160470;C#CC(=O)C(O)C(C)O;NANQHZRMSGYTFU-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160471;MM160471;C#CC(=O)C(F)C(C)C;WZEFNVACOAWIDU-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160472;MM160472;C#CC(=C)C(C)N(C)C;NHEGZAODSQSCIV-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160473;MM160473;C=C(C)C(C)C(=C)CC;QPYBRDTYOHYZNB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160474;MM160474;C=C(C)C(C)C(=C)CN;VEFBMYVBNHHYFY-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160475;MM160475;O=CNNCC1(C=O)CC1;VMANGIJBVGSEGG-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160476;MM160476;C=C(C)C(C)C(=C)CF;YEAOROXZBKPBFO-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160477;MM160477;C=C(CC)C(C)C(C)=O;ZMJGXVIIRPMPAM-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160478;MM160478;C=C(CF)C(C)C(C)=O;FAGQFHZPDRDYDX-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160479;MM160479;C=C(CC)C(C)C(=N)N;DWSWQIVARPBKTC-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160480;MM160480;C=C(CN)C(C)C(=N)N;NBAMIENNIWWEMF-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160481;MM160481;C=C(CO)C(C)C(=N)N;SSBRHWVBSNJUDM-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160482;MM160482;C=C(CF)C(C)C(=N)N;RSAQNWUFMZBZKE-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160483;MM160483;NNC(=O)NCCO;FBOVDLHXEHTXLF-UHFFFAOYSA-N;119.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160484;MM160484;C=C(CN)C(C)C(N)=O;UINQPATXVXKNED-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160485;MM160485;C=C(CO)C(C)C(N)=O;QSNVEXXWQPHYLI-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160486;MM160486;C=C(CC)C(C)C(=O)O;JOQKWTSAAMFHIJ-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160487;MM160487;C=C(CF)C(C)C(=O)O;JLILPBJAOXTLIV-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160488;MM160488;C=C(F)C(C)C(=C)CC;TYWJCIHWYPQXQK-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160489;MM160489;C=C(F)C(C)C(=C)CN;MWIOTTVSLMRNMY-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160490;MM160490;C=C(F)C(C)C(=C)CF;ABYFURIVOBQFRC-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160491;MM160491;C=C(C)C(C)C(=O)CC;HZPAFNZJPBJGHQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160492;MM160492;C=C(C)C(C)C(=O)CF;SNUJOTHSZVQPGZ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160493;MM160493;CCC(=O)C(C)C(C)=O;CAVUEALRYKNYRW-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160494;MM160494;CCC(=O)C(C)C(=N)N;RYKWQTGKSHRXBS-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160495;MM160495;CC(C(=N)N)C(=O)CO;CNPBOXZOYCEGCX-UHFFFAOYSA-N;130.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160496;MM160496;CCC(=O)C(C)C(N)=O;XSMWWCWDMOTCRZ-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160497;MM160497;C=C(F)C(C)C(=O)CF;GJVQLNSXMFIADB-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160498;MM160498;C=C(C)C(N)C(=C)CC;AMADAAKYGCLAAW-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160499;MM160499;C=C(C)C(N)C(=C)CF;UEFSNGWJMWCGRB-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160500;MM160500;C=C(CF)C(N)C(=N)N;FXBZHHHVMWQDNE-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160501;MM160501;C=C(CC)C(O)C(=N)N;OPFXILNQLOJHRU-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160502;MM160502;C=C(CN)C(O)C(=N)N;IDBNTVYDXWPUQS-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160503;MM160503;C=C(CO)C(O)C(=N)N;IHPLEAXIXFFHKO-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160504;MM160504;C=C(CN)C(O)C(N)=O;QEOGWSGHWITCRM-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160505;MM160505;C=C(CO)C(O)C(N)=O;DLUVJHIIIBWNDD-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160506;MM160506;C=C(CF)C(O)C(N)=O;SGVBZTBVUAVRKQ-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160507;MM160507;N#CC1NC(C=O)C1=O;LRWFPCXIMMLYJF-UHFFFAOYSA-N;124.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160508;MM160508;C=C(F)C(O)C(=C)CF;OKXJXUUVKYNCHC-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160509;MM160509;C=C(C)C(O)C(=O)CF;RWYXGGDRVHSABR-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160510;MM160510;CC(=O)C(O)C(=O)CO;LBDLZPKXTMMVEW-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160511;MM160511;CC(=O)C(O)C(=O)CF;RETPYKCUSNKCMD-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160512;MM160512;N=C(N)C(O)C(=O)CO;NFLYLXSJNSBOBX-UHFFFAOYSA-N;132.12;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160513;MM160513;CCC(=O)C(O)C(N)=O;JFJHWVHCAIWQRH-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160514;MM160514;NC(=O)C(O)C(=O)CO;LNEJHTVPIHUSAL-UHFFFAOYSA-N;133.1;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160515;MM160515;C=C(CC)C(F)C(C)=O;LMLSGNPZRIPSMK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160516;MM160516;C=C(CF)C(F)C(C)=O;UYNFGDXQDSYUJB-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160517;MM160517;C=C(CN)C(F)C(N)=O;DOVBLQZBGFADFB-UHFFFAOYSA-N;132.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160518;MM160518;C=C(C)C(F)C(=O)CC;XVYJAZYOTLPKSW-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160519;MM160519;C=C(C)C(F)C(=O)CF;RNFLLDNCKUQOOU-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160520;MM160520;C=C(C)C(C)C(=N)NN;QCSMAGORRLFMIG-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160521;MM160521;C=C(C)C(C)C(=N)NO;AUCFBFWLMFWONK-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160522;MM160522;CN=C(N)C(C)C(C)=O;GQBCXZXGJUMVNM-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160523;MM160523;CC(=O)C(C)C(=N)NO;KSPRCTCPMZCFBB-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160524;MM160524;CNC(=N)C(C)C(=N)N;BDVAZBSXRLDRAB-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160525;MM160525;CC(C(=N)N)C(=N)NN;DFRMCDATEYKZMV-UHFFFAOYSA-N;129.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160526;MM160526;CC(C(=N)N)C(=N)NO;MEKNDGRUVCOVLG-UHFFFAOYSA-N;130.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160527;MM160527;CC(C(=N)NN)C(N)=O;LFIGBWXYTQOLTF-UHFFFAOYSA-N;130.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160528;MM160528;CCn1cc(O)cn1;RWONCMDCEBQRLV-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160529;MM160529;C=C(F)C(C)C(=N)NC;BUUKBGAXMHJDPW-UHFFFAOYSA-N;130.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160530;MM160530;C=C(F)C(C)C(=N)NN;RJVQHJVARBITCE-UHFFFAOYSA-N;131.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160531;MM160531;CC1(O)CC1C(=O)NN;KEXBATVFOUEFTF-UHFFFAOYSA-N;130.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160532;MM160532;CC(C(=N)N)C(=O)NN;KURFHQCCWBWZOC-UHFFFAOYSA-N;130.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160533;MM160533;CNC(=O)C(C)C(N)=O;ZTECTERUXMCZCX-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160534;MM160534;CC1(O)CC1NNC=O;BIGRALSZGHUIMM-UHFFFAOYSA-N;130.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160535;MM160535;CCCn1cc(O)cn1;TZMLEDRXPQCANG-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160536;MM160536;C=C(F)C(C)C(=O)NC;XGTNOKAQXKJQCR-UHFFFAOYSA-N;131.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160537;MM160537;CNC(=N)C(N)C(=N)N;ICDNNCOMEKPJER-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160538;MM160538;N=C(N)C(N)C(=N)NO;MVHPVDQKZXWDPH-UHFFFAOYSA-N;131.14;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160539;MM160539;CNC(=O)C(N)C(=N)N;RYERRLJZFAXVRO-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160540;MM160540;NC(=O)C(N)C(=O)NO;LHRYNIIPCJJBAK-UHFFFAOYSA-N;133.11;-2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160541;MM160541;CN=C(N)C(O)C(C)=O;MARFFCLPPKNPSO-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160542;MM160542;CN=C(N)C(O)C(N)=O;WPJQTYXDNWZQIN-UHFFFAOYSA-N;131.14;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160543;MM160543;COc1coc(=NO)[nH]1;NAAYMHNUOZNNMT-UHFFFAOYSA-N;130.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160544;MM160544;C=C(F)C(O)C(=N)NC;YYKZDNNPZVPGMG-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160545;MM160545;C=C(F)C(O)C(=N)NN;IDPINISCIWIUHN-UHFFFAOYSA-N;133.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160546;MM160546;CNC(=O)C(O)C(C)=O;GDJDOJWCORQKJJ-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160547;MM160547;CC(=O)C(O)C(=O)NO;UHQUCJWCYUESGY-UHFFFAOYSA-N;133.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160548;MM160548;CNC(=O)C(O)C(=N)N;CQDCJAHXYWIYED-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160549;MM160549;N=C(N)C(O)C(=O)NN;UJIGDAADTALSCD-UHFFFAOYSA-N;132.12;-2.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160550;MM160550;CNC(=O)C(O)C(N)=O;FBXRTNMSKKRIDC-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160551;MM160551;COc1c[nH]c(=NO)o1;VJZZEKPIRYGTBN-UHFFFAOYSA-N;130.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160552;MM160552;N#CCn1cc(O)cn1;QCKRMSQWDGXERX-UHFFFAOYSA-N;123.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160553;MM160553;C=C(F)C(O)C(=O)NC;GVWMMFUSEYNVRC-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160554;MM160554;C=C(F)C(O)C(=O)NN;XNSGNIQQNHHQQP-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160555;MM160555;C=C(F)C(O)C(=O)NO;OEGHXKHALQQKQQ-UHFFFAOYSA-N;135.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160556;MM160556;CC1NC(=O)N(N)C1=N;NCNZOXYOLQWOBU-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160557;MM160557;CC1C(O)C1NNC=O;ODYFUFJXKJOGTC-UHFFFAOYSA-N;130.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160558;MM160558;C#CCCNC(=O)NNC;VNNSLXOFSCZJNE-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160559;MM160559;CCCN(N)C(=O)NNC;KJBMMILQNWAXOF-UHFFFAOYSA-N;146.19;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160560;MM160560;Nn1c(=O)n(O)n(O)c1=O;JEMXPUVXYCYUPH-UHFFFAOYSA-N;148.08;-3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160561;MM160561;CC(O)C(O)CNNC=O;ZRRBTXYLCLZEKN-UHFFFAOYSA-N;148.16;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160562;MM160562;CNC(C)(C#N)C(O)CF;URONDRMBSOBSJL-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160563;MM160563;CNC(=O)C(F)C(C)=O;PJUYEYQXVRYBDM-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160564;MM160564;C=C(F)C(F)C(=O)NN;NPALOPJJELYKCT-UHFFFAOYSA-N;136.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160565;MM160565;C=C(OC)C(C)C(C)=O;QQCBOBNMUPQOEQ-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160566;MM160566;C=C(OC)C(C)C(N)=O;YSNACZGSQSGOHB-UHFFFAOYSA-N;129.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160567;MM160567;COc1nn(O)c(=O)n1N;LCJNYSMXORYOHI-UHFFFAOYSA-N;146.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160568;MM160568;C=C(F)C(C)C(=C)OC;DDDDJGNRKBRVAA-UHFFFAOYSA-N;130.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160569;MM160569;C=C(C)C(C)C(=O)OC;GDSFQFFLGYMQAF-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160570;MM160570;CC#Cc1cc(O)n(C)n1;XBMHHLDKCJPDJK-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160571;MM160571;C=C(F)C(C)C(=O)OC;IBYYYYBJPTUDFN-UHFFFAOYSA-N;132.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160572;MM160572;C=C(C)C(N)C(=C)OC;JFQBIDGGIRXSCB-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160573;MM160573;C=C(OC)C(N)C(=N)N;SSTAVROMDOKIHP-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160574;MM160574;C=C(OC)C(O)C(C)=O;AEENTMYTKNTNIC-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160575;MM160575;C=C(OC)C(O)C(=N)N;UNTKGRIXINSKOO-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160576;MM160576;N=c1c(O)n[nH]c(=O)n1N;SXYIWFMBQFFLHB-UHFFFAOYSA-N;143.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160577;MM160577;C=C(F)C(O)C(=C)OC;PMCKRSQXCBKWCM-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160578;MM160578;COC(=O)C(O)C(=N)N;ASGAYHFRIMGVLD-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160579;MM160579;COC(=O)C(O)C(N)=O;VYLLLGRUOLNLJB-UHFFFAOYSA-N;133.1;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160580;MM160580;N=c1c(O)ncnn1N;YAAVYMHULVBJRT-UHFFFAOYSA-N;127.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160581;MM160581;C=C(C)C(F)C(=O)OC;LJOSWQCJMAKKLI-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160582;MM160582;C=CC(=O)NNC(C)CF;QFXOIASVIAXQRA-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160583;MM160583;C=C(CC)N(C)C(C)=O;MNFOYHWSDVMWDB-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160584;MM160584;C=C(CO)N(C)C(C)=O;LSAHBDXYFXPDAM-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160585;MM160585;C=C(CF)N(C)C(C)=O;JSSKYRDFDFGHBK-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160586;MM160586;C=C(CN)N(C)C(=N)N;UCUNNCYSDGDFLP-UHFFFAOYSA-N;128.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160587;MM160587;C=C(CO)N(C)C(=N)N;IXPRVARGHBTAOT-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160588;MM160588;C=C(CC)N(C)C(N)=O;DGRRRWWQXABXAQ-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160589;MM160589;C=C(CN)N(C)C(N)=O;NGPAQJFFLJBWEB-UHFFFAOYSA-N;129.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160590;MM160590;C=C(CO)N(C)C(N)=O;ZZFGRBPOHDSIED-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160591;MM160591;C=C(C)N(C)C(=N)CC;HYNFIHGOROSVHF-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160592;MM160592;CC(=N)N(C)C(=N)CN;YGZXFECJLVATHN-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160593;MM160593;CC(=N)N(C)C(=N)CO;MKFAKUZNIAKTGJ-UHFFFAOYSA-N;129.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160594;MM160594;C=NN1CCC(O)(C=O)C1;DOVKEJIKXJSPAA-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160595;MM160595;CC(=O)N(C)C(=N)CF;UQSLDWRRBGZQAK-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160596;MM160596;CCC(=N)N(C)C(=N)N;GKAOLPOXTUGRDX-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160597;MM160597;C#CC(CO)CC(=O)NN;YWFYYYLXBQRMBU-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160598;MM160598;C=C(C)N(C)C(=O)CC;ZKLCOAHQASYXSN-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160599;MM160599;C=C(C)N(C)C(=O)CO;MYBRSLKRTOJXKE-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160600;MM160600;C=C(C)N(C)C(=O)CF;KDILVCJQADWIAP-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160601;MM160601;CC(=NN)C(F)C(O)CF;YNANSDJJZUYAQK-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160602;MM160602;CC(=O)N(C)C(=O)CF;ROOYIUPVAOLMIP-UHFFFAOYSA-N;133.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160603;MM160603;CCC(=O)N(C)C(=N)N;LFIXYSOXQNQSGF-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160604;MM160604;CN(C(=N)N)C(=O)CN;LXHBQEBJKZWIOJ-UHFFFAOYSA-N;130.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160605;MM160605;CN(C(=N)N)C(=O)CO;PAHYDDASYSMHKJ-UHFFFAOYSA-N;131.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160606;MM160606;CN(C(=N)N)C(=O)CF;UMNACXNQWPOQGH-UHFFFAOYSA-N;133.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160607;MM160607;CCC(=O)N(C)C(N)=O;HNHSCDSPEHFTJU-UHFFFAOYSA-N;130.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160608;MM160608;C=C(CO)N(N)C(=N)N;XAOUOKIFCZTZND-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160609;MM160609;CCNNC(=O)CC=NN;RMRSBBYYNMGJMS-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160610;MM160610;CC(=N)N(N)C(=N)CO;BKQKXKPJYOUXOO-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160611;MM160611;CN(CCCF)C(=O)NN;KVVBSTJIVSTDNN-UHFFFAOYSA-N;149.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160612;MM160612;CCC(=N)N(N)C(=N)N;PNKLRCMWTVHQLC-UHFFFAOYSA-N;129.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160613;MM160613;N=C(N)N(N)C(=N)CF;PSCNVDUXKSVZFN-UHFFFAOYSA-N;133.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160614;MM160614;CNC(=O)NNCCCO;ZSXYBBNWBYHHAX-UHFFFAOYSA-N;147.18;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160615;MM160615;N#CCc1cc(NO)n[nH]1;DHXBLNGEAVJPQX-UHFFFAOYSA-N;138.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160616;MM160616;CCC(=O)N(N)C(C)=O;YZWKZYITYJIASX-UHFFFAOYSA-N;130.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160617;MM160617;CCC(=O)N(N)C(=N)N;GESCBBPSDVWDIC-UHFFFAOYSA-N;130.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160618;MM160618;N=C(N)N(N)C(=O)CO;UCQHUWZKSSWWCB-UHFFFAOYSA-N;132.12;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160619;MM160619;N=C(N)N(N)C(=O)CF;WDVUHOOSTMFBKU-UHFFFAOYSA-N;134.11;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160620;MM160620;N#CCC(=O)C#CC1CN1;MKGQPSRAQKKOHU-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160621;MM160621;CC1(O)CN(N)C1=O;VGZJHSURZJUQQS-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160622;MM160622;NN=CCC(=O)NN;KNCHVNLPLLFIID-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160623;MM160623;C=C(CN)N(O)C(C)=N;DUFGOTQMZJVAOX-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160624;MM160624;C=C(CF)N(O)C(C)=O;KCNXXWTXJQEBKP-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160625;MM160625;C=C(CO)N(O)C(=N)N;VOSMOUCDMCBINA-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160626;MM160626;C=C(CF)N(O)C(=N)N;CRLFRGYZPDYHMB-UHFFFAOYSA-N;133.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160627;MM160627;C=C(CO)N(O)C(N)=O;JZFNYTHVLVFSEW-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160628;MM160628;CCC(=N)N(O)C(=N)N;PKYBVGRIVKAVOQ-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160629;MM160629;N=C(N)N(O)C(=N)CN;SICFWAQMAGHTBL-UHFFFAOYSA-N;131.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160630;MM160630;N=C(N)N(O)C(=N)CF;QHVUEPOORMAVOL-UHFFFAOYSA-N;134.11;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160631;MM160631;CNC(=N)N(C)C(C)=N;GSYQSSCMYIIFND-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160632;MM160632;CC(=N)N(C)C(=N)NN;KZENMTSXYYWMIM-UHFFFAOYSA-N;129.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160633;MM160633;CC(=N)N(C)C(=N)NO;JUITUUBYZXPIDB-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160634;MM160634;CNC(=N)N(C)C(C)=O;RKFWQGYBKSTNNF-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160635;MM160635;CC(=O)N(C)C(=N)NN;SGOYIUXUCVCUSW-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160636;MM160636;CNC(=N)N(C)C(=N)N;LJVNRPAERZRHDF-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160637;MM160637;CN(C(=N)N)C(=N)NN;YASFLCRHUATYNX-UHFFFAOYSA-N;130.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160638;MM160638;CN(C(=N)N)C(=N)NO;RFSKYRQSJAYTQV-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160639;MM160639;NNC(=O)OC1CC1;FPJYDYHAFROXHJ-UHFFFAOYSA-N;116.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160640;MM160640;CNC(=O)N(C)C(C)=O;STBNWEYNSYFYJF-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160641;MM160641;CC(=O)N(C)C(=O)NO;KYBSCMVZMFAPPS-UHFFFAOYSA-N;132.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160642;MM160642;CNC(=O)N(C)C(=N)N;MOEAKLFLXWDKJF-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160643;MM160643;CNC(=N)N(N)C(C)=N;LOLKHVMGNROHNP-UHFFFAOYSA-N;129.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160644;MM160644;CC(=N)N(N)C(=N)NN;DZZSUTSUQOJQFJ-UHFFFAOYSA-N;130.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160645;MM160645;CC(=N)N(N)C(=N)NO;FKSHPTVUPVRAAG-UHFFFAOYSA-N;131.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160646;MM160646;CNC(=N)N(N)C(C)=O;PSRMOBUFOMRNHU-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160647;MM160647;CC(=O)N(N)C(=N)NN;GBTJKPMFOQVFDM-UHFFFAOYSA-N;131.14;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160648;MM160648;CNC(=N)N(N)C(=N)N;XHFNHHTUWRSLEP-UHFFFAOYSA-N;130.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160649;MM160649;N=C(N)N(N)C(=N)NN;ZNLNDXKGXLKDHD-UHFFFAOYSA-N;131.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160650;MM160650;CNC(=N)N(N)C(N)=O;RNOUTGHJXGGGMA-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160651;MM160651;CN1NCC(O)C1=O;XSYVEDXUITZDSZ-UHFFFAOYSA-N;116.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160652;MM160652;CN(C)CC(=O)C(F)F;VTAGCPVTZOKWBE-UHFFFAOYSA-N;137.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160653;MM160653;CC(=N)N(N)C(=O)NO;LWUYAKSPSJLBBJ-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160654;MM160654;NNC(=O)CCC(N)=O;NIVIWZQORMNQQX-UHFFFAOYSA-N;131.14;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160655;MM160655;CC(=O)N(N)C(=O)NN;CTWQVURGXYSHGO-UHFFFAOYSA-N;132.12;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160656;MM160656;CC(=O)N(N)C(=O)NO;CCERACKHDMLWSR-UHFFFAOYSA-N;133.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160657;MM160657;CNC(=O)N(N)C(=N)N;OTYPODJGBOIYSV-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160658;MM160658;C=C(C)N(O)C(=N)NC;GQUGXPYHZYNDFZ-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160659;MM160659;C=C(C)N(O)C(=N)NN;QQBBBTMTYWYFJL-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160660;MM160660;CNC(=N)N(O)C(C)=N;YHXMOMSOAMLYOX-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160661;MM160661;CC(=N)N(O)C(=N)NN;RPPMLQVHQBGDHR-UHFFFAOYSA-N;131.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160662;MM160662;CNC(=O)N(O)C(C)=N;MNYYRWUFSPBWIE-UHFFFAOYSA-N;131.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160663;MM160663;CC(=N)N(O)C(=O)NN;OCFYLGRWSBRMPP-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160664;MM160664;C=C(OC)N(N)C(C)=N;AFYHOKKBMKZXCH-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160665;MM160665;COC(=N)N(N)C(=N)N;HAJVRZWJYXENBH-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160666;MM160666;NN=CC(F)C(O)CF;REZHAECYOGQSBY-UHFFFAOYSA-N;138.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160667;MM160667;COC(=O)N(N)C(=N)N;VFRRSUKVMSGYEI-UHFFFAOYSA-N;132.12;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160668;MM160668;CC1=C(N)OCC1=NN;PTBIECZKSHAFBS-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160669;MM160669;C=C(C)C(C)C(=C)C=O;DBIPIHWHBNPIKK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160670;MM160670;C=C(C)C(C)C(=C)C#N;YIAKCPWCNKGKDF-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160671;MM160671;C=CC(=C)C(C)C(C)=O;RWNOETDLTUZPKW-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160672;MM160672;C=C(C=O)C(C)C(C)=O;HJVRCJFISRYRCR-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160673;MM160673;C=C(C#N)C(C)C(C)=O;LPOIZDXKKCBJJU-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160674;MM160674;C=CC(=C)C(C)C(=N)N;ZUCICCHIKLENRV-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160675;MM160675;Nc1c(NO)n[nH]c1F;JERWIEUDLWNATL-UHFFFAOYSA-N;132.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160676;MM160676;C=CC(=C)C(C)C(=O)O;OFAMPIMVHGNOED-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160677;MM160677;Cn1c(F)c(O)oc1=N;ATFLBZDIHXEDER-UHFFFAOYSA-N;132.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160678;MM160678;C=C(C#N)C(C)C(=O)O;CYOOEZUXWWHNQI-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160679;MM160679;C=CC(=C)C(C)C(=C)F;KVOLEEYITYBVKR-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160680;MM160680;C=CC(=O)C(C)C(=C)C;ZLVVBSUWUPFYPF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160681;MM160681;C=C(C)C(C)C(=O)C=O;CRWHREIKUJYBTH-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160682;MM160682;CC(C(=N)N)C(=O)C=O;FKMZEAKZZZHURZ-UHFFFAOYSA-N;128.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160683;MM160683;C=CC(=O)C(C)C(N)=O;LOMQSVCSHVEDEB-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160684;MM160684;CC(C(N)=O)C(=O)C=O;OMTWKDLGAFEAMI-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160685;MM160685;C=CC(=C)C(N)C(=C)C;MEFQYMQVYGFWFQ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160686;MM160686;C=CC(=C)C(N)C(=N)N;XMVYFXPJKOFROT-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160687;MM160687;C=C(C=O)C(O)C(=N)N;VCVRVHIUGRHEEU-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160688;MM160688;C=C(C#N)C(O)C(=N)N;OELWYGNUFMCXQO-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160689;MM160689;C=C(C=O)C(O)C(N)=O;YBYQPUDEYAZEDF-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160690;MM160690;C=C(C#N)C(O)C(N)=O;VMDZJBMZWCTGRO-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160691;MM160691;N#Cc1[nH]oc(=N)c1O;KSDCKEUAZJTGJE-UHFFFAOYSA-N;125.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160692;MM160692;C=CC(=O)C(O)C(=N)N;BSOGUQLXZFYANN-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160693;MM160693;N=C(N)C(O)C(=O)C=O;YZWVUZHZEHZERM-UHFFFAOYSA-N;130.1;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160694;MM160694;N#CC(=O)C(O)C(=N)N;ISXNVBRJUDMKDJ-UHFFFAOYSA-N;127.1;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160695;MM160695;C=CC(=O)C(O)C(N)=O;NKEOFWACEJCFKM-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160696;MM160696;C=C(F)C(F)C(=C)C=O;AOBYABAFLCJSAS-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160697;MM160697;C=CC(=O)C(F)C(N)=O;BTBAZPGJPLGNLW-UHFFFAOYSA-N;131.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160698;MM160698;C=CC(=O)C(F)C(=C)F;BZEVJXXCGTWVKS-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160699;MM160699;C=C(C=O)N(C)C(C)=N;IWSVXCRNCATGTL-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160700;MM160700;C=C(C#N)N(C)C(C)=N;JUXYAVUZJXLJPK-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160701;MM160701;C=CC(=C)N(C)C(C)=O;NOCUUXIUTQIUCA-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160702;MM160702;C=C(C=O)N(C)C(C)=O;AJJKHENNRVBPIE-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160703;MM160703;C=C(C=O)N(C)C(=N)N;WKNOBZQXBYOBKM-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160704;MM160704;C=C(C#N)N(C)C(=N)N;DTABZHSTMMIZCF-UHFFFAOYSA-N;124.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160705;MM160705;C=CC(=C)N(C)C(N)=O;HWUMBYWOZRPMKL-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160706;MM160706;CC(=O)N(C)C(=N)C#N;XAHHXTUAVRPYMU-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160707;MM160707;CNc1ncn(O)c1C;WKKVEYMYVPHATP-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160708;MM160708;C=CC(=O)N(C)C(=C)C;UHUFRPXYDZCPJM-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160709;MM160709;C=C(C)N(C)C(=O)C=O;DOKFSWHAOXUTKX-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160710;MM160710;C=C(C)N(C)C(=O)C#N;IESQHOOJZPNRHW-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160711;MM160711;CC(=N)N(C)C(=O)C#N;PJPJUVUXGSCDLT-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160712;MM160712;CC(=O)N(C)C(=O)C#N;XEUKQMJJWOPZKJ-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160713;MM160713;C=CC(=O)N(C)C(=N)N;VRZHPWQVHLVYDV-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160714;MM160714;C=CC(=O)N(C)C(N)=O;YNEJZZRNXSVNAQ-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160715;MM160715;CN(C(N)=O)C(=O)C=O;UVUJFLVRXNHXAX-UHFFFAOYSA-N;130.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160716;MM160716;C=CC(=N)N(N)C(=N)N;JXLZAFQDSOJIJN-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160717;MM160717;COC1CC1C(=O)NN;BEGYLCLUGOOVMP-UHFFFAOYSA-N;130.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160718;MM160718;C=CC(=O)N(N)C(C)=N;IGTWPZGPICYZPC-UHFFFAOYSA-N;127.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160719;MM160719;C=CC(=O)N(N)C(=N)N;YMARPHRLCHRBJZ-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160720;MM160720;CC(C)(O)CNNC(N)=O;RQSCNMSNXHTBSG-UHFFFAOYSA-N;147.18;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160721;MM160721;C=CC(=C)N(O)C(N)=O;IIXDMHPRAFZKMU-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160722;MM160722;C=C(C=O)N(O)C(N)=O;SQTMORWJZWEHSY-UHFFFAOYSA-N;130.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160723;MM160723;CC(O)(CO)CC(=O)NN;QCHFRFFTZJXBTD-UHFFFAOYSA-N;148.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160724;MM160724;C=C(N=CNO)NC(N)=O;AIGHUJOLUOUYNS-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160725;MM160725;C=CC(=N)N(O)C(=N)N;BDJGRYWPMWAUQS-UHFFFAOYSA-N;128.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160726;MM160726;C=CC(=N)N(O)C(N)=O;HYXFEINMDBIQLG-UHFFFAOYSA-N;129.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160727;MM160727;C=CC(=O)N(O)C(=C)C;RERXSUOBBAUZOR-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160728;MM160728;C#CC(=C)C(C)C(=C)C;WMVIOBNHIMLOMZ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160729;MM160729;C#CC(=C)C(C)C(C)=O;CCQNVJRMCUKFIF-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160730;MM160730;C#CC(=C)C(C)C(=N)N;JBLCEBCFZBAHDX-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160731;MM160731;C#CC(=C)C(C)C(=O)O;JCYUCCKUIAFTPT-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160732;MM160732;C#CC(=O)C(C)C(=C)C;LVRKGWQXSYMRKQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160733;MM160733;C#CC(=O)C(C)C(C)=O;VXLARIVPEJNRAM-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160734;MM160734;C#CC(=O)C(C)C(=C)F;LQMRQAJZYGTBFN-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160735;MM160735;C#CC(=C)C(N)C(=C)C;VYHWHNNTDUFMJX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160736;MM160736;C#CC(=C)C(O)C(=N)N;DGJONXUXZOMLHA-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160737;MM160737;C#CC(=C)C(O)C(N)=O;FJXFZAAUDOGQQO-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160738;MM160738;C#CC(=C)C(O)C(=C)F;ADFKCZRXHKEWEZ-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160739;MM160739;C#CC(=O)C(O)C(C)=O;SLHUILXACSFULS-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160740;MM160740;C#CC(=C)N(N)C(C)=N;IUASHSGUORGSAT-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160741;MM160741;C#CC(=C)N(N)C(C)=O;RDRXFHBACRBOSD-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160742;MM160742;C#CC(=C)N(N)C(=N)N;XAWSAYSRCJXJEA-UHFFFAOYSA-N;124.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160743;MM160743;C#CC(=C)N(O)C(C)=N;ZBWZPZZDVFIKOC-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160744;MM160744;CC(O)C(O)CC(=O)NN;PAINQPQBYQGVST-UHFFFAOYSA-N;148.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160745;MM160745;C=C(C(C)C)C(C)CF;OGXJQNMZPVVNIC-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160746;MM160746;C=C(C(C)N)C(C)CC;YOIZWOFZWOLHTL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160747;MM160747;C=C(C(C)N)C(C)CO;TZMPCHWVERYKNK-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160748;MM160748;C=C(C(C)N)C(C)CF;AFIRRXFVOVQDTI-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160749;MM160749;CC1(F)CC1CC(=O)NN;CBCAKNGIGFWFHC-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160750;MM160750;C=C(C(C)F)C(C)CC;HXWPOQYIGDSYIM-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160751;MM160751;C=C(C(C)F)C(C)CN;XVEVXXWSRHAAPN-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160752;MM160752;C=C(C(C)F)C(C)CF;PPUIGDPYHCMIGL-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160753;MM160753;C=C(C(C)C)C(N)CC;NRXTWBGFYOGBJQ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160754;MM160754;C=C(C(C)C)C(N)CF;ILBXKAVKKUKOSV-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160755;MM160755;C=C(C(C)N)C(N)CC;XGGOREXKVKDVLF-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160756;MM160756;C=C(C(C)N)C(N)CO;ZFJIRNVKUCNHAO-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160757;MM160757;C=C(C(C)N)C(N)CF;OUWRUMJSTUJRIU-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160758;MM160758;C=C(C(C)O)C(N)CN;LUCRDJADKLTCSJ-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160759;MM160759;C=C(C(C)F)C(N)CC;RWOMXBQVNAXUAC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160760;MM160760;C=C(C(F)F)C(N)CN;HIRXKELICVFYOX-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160761;MM160761;C=C(C(F)F)C(N)CO;LQCIAWVIYUACPH-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160762;MM160762;C#CC1(O)CN(CC#N)C1;FUMCAOBDALQBNH-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160763;MM160763;C=C(C(C)C)C(O)CN;QQRKBAJHXAEYAX-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160764;MM160764;C=C(C(C)C)C(O)CO;MODGPRJLRZEIQP-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160765;MM160765;C=C(C(C)N)C(O)CC;ZPVVOKQZSLLJQR-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160766;MM160766;C=C(C(C)O)C(O)CC;YQOXCUCNNMDSTO-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160767;MM160767;C=C(C(C)O)C(O)CO;IKPZGEVYWYCTDT-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160768;MM160768;C=C(C(C)O)C(O)CF;BPLZUFUGIOAJKE-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160769;MM160769;C=C(C(F)F)C(O)CC;FNHNUNRPBRQXMI-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160770;MM160770;C=C(C(F)F)C(O)CN;FDDJNRAUIWMGRS-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160771;MM160771;C=C(C(C)C)C(F)CC;WQNKZMZZFFGCEG-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160772;MM160772;C=C(C(C)C)C(F)CN;OVZHIQPYEQJGDM-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160773;MM160773;C=C(C(C)N)C(F)CC;CGYAAUXIMWZNJM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160774;MM160774;C=C(C(C)N)C(F)CN;NMZWRCLFFCURMT-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160775;MM160775;C=C(C(C)O)C(F)CC;OKKLKLUYNKBBBH-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160776;MM160776;C=C(C(C)O)C(F)CN;FXHUILOFABLOFS-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160777;MM160777;C=C(C(C)O)C(F)CO;DTIXJJCXLOWPKP-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160778;MM160778;C=C(C(C)O)C(F)CF;SBZJDDIQUIAAHK-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160779;MM160779;C=C(C(C)F)C(F)CC;IRWMMKMUZUSHOE-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160780;MM160780;C=C(C(C)F)C(F)CN;HWWFGAJZJXUFJQ-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160781;MM160781;CCC(C)C(=O)C(C)C;PZAPVPGZDHJUTO-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160782;MM160782;CC(C)C(=O)C(C)CO;WETYQKOKFFOTNS-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160783;MM160783;CC(C)C(=O)C(C)CF;VLXGXDFMWBFWBN-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160784;MM160784;CCC(C)C(=O)C(C)F;PMHSLSWWMDGNDR-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160785;MM160785;CCC(C)C(=O)C(F)F;UWSPNCKBGYNQQS-UHFFFAOYSA-N;136.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160786;MM160786;CC(C)C(=O)C(O)CO;NIOXOXMYZAMQDV-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160787;MM160787;CC(O)C(=O)C(O)CO;KXUWLQVMCRIKIU-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160788;MM160788;O=C(C(F)F)C(O)CO;NIYFRHFWNWBOSO-UHFFFAOYSA-N;140.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160789;MM160789;CCC(F)C(=O)C(C)C;UGLVVLAYBOYLIQ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160790;MM160790;CC(O)C(=O)C(F)CO;QGQRVKOEHKEXIJ-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160791;MM160791;C=C(C(C)N)C(C)NC;KFULLWFGINOJFH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160792;MM160792;C=C(C(C)F)C(C)NC;QDJPKXZEFLWKDZ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160793;MM160793;C=C(C(F)F)C(C)NC;OONOOVGJRWBCJT-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160794;MM160794;CNC(C)C(=O)C(C)C;AFLIHQLMLXMDMC-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160795;MM160795;C=C(C(C)C)C(C)OC;UMAWBNUSMSQDLP-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160796;MM160796;C=C(C(C)O)C(C)OC;ITEKIYBTSUJTMI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160797;MM160797;C=C(C(C)F)C(C)OC;FXOYJGVTUCGJQF-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160798;MM160798;CCC(C)C(=N)N(C)C;KYSRMRJOUCJMOR-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160799;MM160799;CC(CN)C(=N)N(C)C;OSLZLFMZLPFNDB-UHFFFAOYSA-N;129.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160800;MM160800;CC(CO)C(=N)N(C)C;UCEKBWTUOLEKTF-UHFFFAOYSA-N;130.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160801;MM160801;CCC(C)C(=N)N(C)N;BWAQVLNAAYZQTC-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160802;MM160802;CC(CO)C(=N)N(C)N;BVFZYPCYKUJMFS-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160803;MM160803;CCC(C)C(=N)N(C)O;VFHOYUDAVABJDF-UHFFFAOYSA-N;130.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160804;MM160804;CC(CN)C(=N)N(C)O;BGVUYBNHZSQARS-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160805;MM160805;CCC(N)C(=N)N(C)C;GZJOOVRTORQIIS-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160806;MM160806;CN(C)C(=N)C(N)CO;YDTIYODFBLSJCB-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160807;MM160807;CN(C)C(=N)C(O)CN;MCACYOFIUXIULS-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160808;MM160808;CN(C)C(=N)C(O)CO;NSZFHPUALJEGKN-UHFFFAOYSA-N;132.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160809;MM160809;CCC(O)C(=N)N(C)N;HGFOGAAKGSBALV-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160810;MM160810;CN(N)C(=N)C(O)CF;BUMSSSQXJFVNNG-UHFFFAOYSA-N;135.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160811;MM160811;C#CCN1CC(O)(C#C)C1;CFXSUNLTFGMLSI-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160812;MM160812;C=CCNNC(=O)NC=C;ZFASARDZUKFLAM-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160813;MM160813;CC(CF)C(=O)N(C)N;KMLOBQYIQVSRBZ-UHFFFAOYSA-N;134.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160814;MM160814;CC(CO)C(=O)N(C)O;HDBQVRCGTRXUQQ-UHFFFAOYSA-N;133.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160815;MM160815;CCC(N)C(=O)N(C)C;WRVUTVMOKGGDME-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160816;MM160816;CN(C)C(=O)C(O)CO;HVHUPNWOXYKWCC-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160817;MM160817;CN(C)C(=O)C(O)CF;ZQPCKCYCHGUIHI-UHFFFAOYSA-N;135.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160818;MM160818;C#CCc1cn(C)c(O)n1;QQKLFSVKGFOUBP-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160819;MM160819;CN(C)C(=O)C(F)CO;WDKLJPWUSSTUHZ-UHFFFAOYSA-N;135.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160820;MM160820;COC(CC(=O)NN)OC;RMXQFXAVQLEGTL-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160821;MM160821;C=NOCC(O)C#CCO;ZYHLVPJXGXAGFZ-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160822;MM160822;CNC(C)C(=N)N(C)N;FMVOZVMOBMDQHZ-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160823;MM160823;CNC(C)C(=O)N(C)C;RIUXWVNHMYQLQY-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160824;MM160824;CCN(C)C(=N)C(C)C;FQGMBKNHZFAIOS-UHFFFAOYSA-N;128.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160825;MM160825;CCN(C)C(=N)C(C)F;MPUUWAKWYXUJBX-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160826;MM160826;CCN(C)C(=N)C(F)F;XBUDPSFBJPTQLY-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160827;MM160827;CCN(N)C(=N)C(C)C;ZYQSKMNIKOXRRV-UHFFFAOYSA-N;129.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160828;MM160828;CCN(O)C(=N)C(C)N;AUYGAWZVGBCTAO-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160829;MM160829;C=CC(=O)C(C)NNC=O;WRMCJOSYNYNFFG-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160830;MM160830;CCN(C)C(=O)C(C)C;ZJBIJOORRHXJDN-UHFFFAOYSA-N;129.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160831;MM160831;CCN(C)C(=O)C(C)O;AFHIQNSLYBCLJX-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160832;MM160832;CCN(C)C(=O)C(C)F;MPRKSNNMFYXTRK-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160833;MM160833;CON(C)C(=N)C(C)N;ODSXDEVPTJEIKQ-UHFFFAOYSA-N;131.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160834;MM160834;CON(C)C(=N)C(C)F;WQQMCUDSKJVIHA-UHFFFAOYSA-N;134.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160835;MM160835;CON(C)C(=O)C(C)O;KBXKYDCTTSQLNA-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160836;MM160836;CCN(C)C(=N)N(C)C;ZCGGCFYMHCAILN-UHFFFAOYSA-N;129.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160837;MM160837;CCN(C)C(=N)N(C)O;YTWJJUTWPJWIJN-UHFFFAOYSA-N;131.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160838;MM160838;CCN(N)C(=N)N(C)N;LOHUQCNPDCKCSI-UHFFFAOYSA-N;131.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160839;MM160839;CCN(N)C(=N)N(C)O;AIFJJKZKHJVBFQ-UHFFFAOYSA-N;132.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160840;MM160840;CCN(O)C(=N)N(C)N;SCXKKFWMDBCEDW-UHFFFAOYSA-N;132.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160841;MM160841;CCN(C)C(=O)N(C)C;GQBOTXZNGCOPRJ-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160842;MM160842;CCN(C)C(=O)N(C)N;KXYCMFGYSFULIK-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160843;MM160843;CCN(N)C(=O)N(C)C;KJECSGMYLZBYNN-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160844;MM160844;CCN(N)C(=O)N(C)O;YLKYVIXOOHHWRY-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160845;MM160845;CCN(O)C(=O)N(C)C;AWBSXWWPTGLGJR-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160846;MM160846;CCN(O)C(=O)N(C)N;JLAKKPONJJSTNF-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160847;MM160847;CCN(O)C(=O)N(C)O;OKKHTHJBKPDBHG-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160848;MM160848;CNN(C)C(=N)N(C)N;NRUPUEOUHYEFMH-UHFFFAOYSA-N;131.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160849;MM160849;CNN(C)C(=N)N(C)O;OXKXZWKLRQKXGS-UHFFFAOYSA-N;132.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160850;MM160850;C=CC(C)C(=C)C(C)C;RGUAKBSSGBMTGZ-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160851;MM160851;C=C(C(C)C)C(C)C=O;CFZRQQDSYYBLFX-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160852;MM160852;COCOC=CC(=O)NN;YECSXEKGRKQERX-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160853;MM160853;C=CC(C)C(=C)C(C)F;XUXGOKZNOHVOLS-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160854;MM160854;C=C(C(C)F)C(C)C=O;PTPOEVSRKRNXLY-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160855;MM160855;C=C(C(F)F)C(C)C=O;NQSGXRIOVKFGJB-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160856;MM160856;C=CC(N)C(=C)C(C)C;PDMUNYWONAWSIK-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160857;MM160857;C=CC(N)C(=C)C(C)O;VTYFVXLSYLDPMB-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160858;MM160858;C=CC(N)C(=C)C(C)F;WVJUSEJCRZLGTJ-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160859;MM160859;C#CC=C(C=C)C(=O)NN;ZHWNCRUIGQBTOO-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160860;MM160860;C=C(C(C)C)C(O)C#N;JUFMLERRDSHXEF-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160861;MM160861;C=CC(O)C(=C)C(C)N;NBBNNUPNAWJIJY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160862;MM160862;C=C(C(C)O)C(O)C=O;NNBBBJGAUCWVOM-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160863;MM160863;C=C(C(F)F)C(O)C#N;YWVBQJHOKQXEHJ-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160864;MM160864;C=CC(F)C(=C)C(C)C;QGLFCGPMLIPMGE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160865;MM160865;C=C(C(C)C)C(F)C=O;HWWJFOGINUSGIC-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160866;MM160866;C=C(C(C)C)C(F)C#N;BKYAANNVGATWSG-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160867;MM160867;C=CC(F)C(=C)C(C)N;QPNOFMFALISFBE-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160868;MM160868;C=C(C(C)F)C(F)C#N;ZRJNDQYUJISICZ-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160869;MM160869;C=CC(C)C(=O)C(C)C;HDUVZZNIAIMIJP-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160870;MM160870;CC(O)C(=O)C(C)C#N;AOAIQEFUFRZPCI-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160871;MM160871;C=CC(C)C(=O)C(C)F;CWZFUBROMATWJH-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160872;MM160872;C=CC(C)C(=O)C(F)F;RZBBVJGGAGDPAK-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160873;MM160873;CC(O)C(=O)C(O)C=O;AGUOVLWWFCBGPW-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160874;MM160874;CC(C)C(=O)C(F)C#N;NLJMRXKTCIASRC-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160875;MM160875;C=CC(F)C(=O)C(F)F;FAUSIHUSVAEPEQ-UHFFFAOYSA-N;138.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160876;MM160876;CN=c1ccn(O)c(O)n1;LKXFOPGQOWBTRE-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160877;MM160877;C=CC(N)C(=N)N(C)C;QWHOLFLZIJRKCH-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160878;MM160878;CN(C)C(=N)C(O)C=O;UUKPOHHLVNMHFZ-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160879;MM160879;C=CC(O)C(=N)N(C)N;XHECIKNWIWCSGN-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160880;MM160880;C=CCC(C=O)NNC=O;VTMFYLFIKUEUMY-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160881;MM160881;CC(C=O)C(=O)N(C)C;DEXSYPQQRHNOJH-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160882;MM160882;CC(C=O)C(=O)N(C)O;ICPPWHGCWCGHIB-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160883;MM160883;C=CC(O)C(=O)N(C)C;WFIGBWKOQLOSGT-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160884;MM160884;CN(C)C(=O)C(O)C=O;GEWUWOFQEWJMSY-UHFFFAOYSA-N;131.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160885;MM160885;CN(C)C(=O)C(O)C#N;ATJPENYERUGKSQ-UHFFFAOYSA-N;128.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160886;MM160886;OCC(N=CNO)C(F)F;ZKNGXEMOQJCGDZ-UHFFFAOYSA-N;154.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160887;MM160887;C=C(C(C)C)N(C)C=O;YTGZMAWDEYSFNQ-UHFFFAOYSA-N;127.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160888;MM160888;C=C(C(C)N)N(C)C=O;FUTHRLKLPNVAGJ-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160889;MM160889;C=C(C(C)O)N(C)C=N;VZEDQOBSCPAVAC-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160890;MM160890;C=C(C(C)F)N(C)C=N;MTDDVWYTFPOXHQ-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160891;MM160891;C=C(C(C)C)N(N)C=O;JLMBUBIZASLLEH-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160892;MM160892;C=C(C(C)F)N(N)C=N;ITUVVGZPYMZYNI-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160893;MM160893;C=C(C(C)F)N(N)C=O;HNWXGNDFZHHXFI-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160894;MM160894;C=C(C(C)C)N(O)C=N;NSEVYZLQOWLBHW-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160895;MM160895;C=C(C(C)F)N(O)C=O;JAJRVZGNXYCQQY-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160896;MM160896;C=CN(C)C(=N)C(C)C;CLPDANWMUOHKPW-UHFFFAOYSA-N;126.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160897;MM160897;CC(C)C(=N)N(C)C=O;BDHJBVLUVINJQQ-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160898;MM160898;CC(N)C(=N)N(C)C=N;JNJJJQFVJBZMJB-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160899;MM160899;CC(O)C(=N)N(C)C=N;RIJWXRNTLDJING-UHFFFAOYSA-N;129.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160900;MM160900;Cc1c(N)c(N)n(O)c1O;QIXBHHKVJDOAQW-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160901;MM160901;CC(F)C(=N)N(C)C=O;FVTQUEWEJYPZFC-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160902;MM160902;C=CN(N)C(=N)C(C)O;RMFTUSAMLUQYAK-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160903;MM160903;COC(CNNC=O)OC;XHHXRFJOKRHDCT-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160904;MM160904;CC(F)C(=N)N(N)C=O;OZMVAHCCMFRBNC-UHFFFAOYSA-N;133.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160905;MM160905;C=CN(O)C(=N)C(C)N;YWJQSJYOXSFHTG-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160906;MM160906;C=CN(C)C(=O)C(C)C;MWAITTXTRUIKOM-UHFFFAOYSA-N;127.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160907;MM160907;CC(C)C(=O)N(C)C=N;PBKYNQPPVXZFLN-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160908;MM160908;C=CN(C)C(=O)C(C)O;XBEPMEGFGMZYGN-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160909;MM160909;O=CNNCC1(CF)CC1;CWWJIAVBSXBKLG-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160910;MM160910;CC(O)C(=O)N(C)C=O;LICPLIWWCMHPIY-UHFFFAOYSA-N;131.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160911;MM160911;C#CC1(O)CN(C)C1;CVVPQPAOBYFLBU-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160912;MM160912;CC1NC1C(=O)NN;IVFJHAOMQYFWAX-UHFFFAOYSA-N;115.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160913;MM160913;CN1CC1C(=O)NN;ZQFWMCBSSJZGBI-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160914;MM160914;CC(C)(CF)NNC=O;HBUVWPCXVSDHAO-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160915;MM160915;C=CN(O)C(=O)C(C)O;GTIOLWNZLDNQQV-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160916;MM160916;C=CN(O)C(=O)C(C)F;UQFNOJAYVTXQKR-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160917;MM160917;C=NN(C)C(=N)C(C)F;ASLURSUUNYZZON-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160918;MM160918;CC1(NNC(N)=O)CC1;GDEOZEPMSPUYJV-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160919;MM160919;CN(C)C(=N)N(C)C=N;INCSTORJGQTAKI-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160920;MM160920;CN(N)C(=N)N(C)C=N;GWZYGOCIVRMHBI-UHFFFAOYSA-N;129.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160921;MM160921;C=CN(C)C(=N)N(C)O;QFZPDSFRNNUJOL-UHFFFAOYSA-N;129.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160922;MM160922;CN(O)C(=N)N(C)C=N;DWGIDLCZFRCBAY-UHFFFAOYSA-N;130.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160923;MM160923;C=CN(N)C(=N)N(C)N;ZYUOATLSEZICGA-UHFFFAOYSA-N;129.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160924;MM160924;C=CN(N)C(=N)N(C)O;LUENZEHAVZLXHU-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160925;MM160925;C=CN(O)C(=N)N(C)N;DYFXPMKZIZJXHO-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160926;MM160926;C=CN(C)C(=O)N(C)C;ATEGJFUKNUYDGP-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160927;MM160927;CN(C)C(=O)N(C)C=O;OIVRGULNQNMYDV-UHFFFAOYSA-N;130.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160928;MM160928;C=CN(C)C(=O)N(C)O;MVVTUULGDBNJKT-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160929;MM160929;C=CN(N)C(=O)N(C)N;MTLPMJLICULKMU-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160930;MM160930;CN(N)C(=O)N(N)C=N;WROHOGTZHALFCS-UHFFFAOYSA-N;131.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160931;MM160931;CN(N)C(=O)N(N)C=O;PEPQXXOYAMRHLF-UHFFFAOYSA-N;132.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160932;MM160932;C=CN(N)C(=O)N(C)O;BRWTWBWVPNZPAT-UHFFFAOYSA-N;131.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160933;MM160933;C=CN(O)C(=O)N(C)O;MIJANAIHWMXETP-UHFFFAOYSA-N;132.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160934;MM160934;C=NN(C)C(=N)N(C)N;VWFDUNGMTNCAQX-UHFFFAOYSA-N;129.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160935;MM160935;C#CC(C)C(=C)C(C)C;JRWDDMWZQLTVFH-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160936;MM160936;C#CC(C)C(=C)C(C)N;BZYBREKKEAQWMN-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160937;MM160937;CC#CC(C)C(=O)NN;YUFIUPXOOYABER-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160938;MM160938;C#CC(C)C(=C)C(C)F;KCJMTVWCVANDAG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160939;MM160939;C#CC(N)C(=C)C(C)C;VCVFMERPPVDNEW-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160940;MM160940;C#CC(O)C(=C)C(C)C;WQMYNNNAXQJWTI-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160941;MM160941;C#CC(O)C(=C)C(C)N;ONVBKPTXHZGJOX-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160942;MM160942;C#CC(O)C(=C)C(C)F;QIGMYSWMPNOWJZ-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160943;MM160943;C#CC(F)C(=C)C(C)F;NKFKUSSOOCJGLY-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160944;MM160944;C#CC(C)C(=O)C(C)C;DHWCJGUULXZFSX-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160945;MM160945;C#CC(C)C(=O)C(C)O;BHBZZZCBZAWPII-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160946;MM160946;C#CC(C)C(=O)C(C)F;GBHYHTDHHHYODM-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160947;MM160947;C#CC(O)C(=O)C(C)O;PWHNUYDXEGDWHM-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160948;MM160948;C#CC(F)C(=O)C(C)C;NEBTZZBPKSMIQW-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160949;MM160949;C#CC(F)C(=O)C(F)F;HJXAJLVYROYBMF-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160950;MM160950;C#CC(C)C(=N)N(C)C;DOGBVIIKLRLDLG-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160951;MM160951;C#CC(C)C(=O)N(C)C;OUVDMTTWBAOJHL-UHFFFAOYSA-N;125.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160952;MM160952;C#CC(C)C(=O)N(C)O;IKGRXRHNBDAJLR-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160953;MM160953;C=C(C)C(=C)C(C)CC;AGLVFLUICOLPJL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160954;MM160954;C=C(C)C(=C)C(C)CN;RNWLQQWFXUOJIE-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160955;MM160955;CC=C1CN(N)C(=O)N1;YONLJBSANBKHJE-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160956;MM160956;C=C(C)C(=C)C(C)CF;JFWLWCUVHJKGJP-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160957;MM160957;C=C(C(C)=O)C(C)CC;NWHFQIBJNRDQIZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160958;MM160958;C=C(C(C)=O)C(C)CF;OGGHUSCOKCZNSK-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160959;MM160959;C=C(C(=N)N)C(C)CC;FLVKGLWVVUTLLK-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160960;MM160960;CNNC(=O)N1CC1C;RBOLSDDACGGGOM-UHFFFAOYSA-N;129.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160961;MM160961;C=C(C(N)=O)C(C)CN;TYMQZOSUNWYHCL-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160962;MM160962;C#CC(O)C=NN1CC1;GKKMRZBZAHINTA-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160963;MM160963;C=C(C(=O)O)C(C)CC;NCHQMEOXQMCVJJ-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160964;MM160964;C=C(C(=O)O)C(C)CF;XKUXEJSTEJNHMT-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160965;MM160965;C=C(F)C(=C)C(C)CC;NEVSPWKGEHYQQL-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160966;MM160966;C=C(F)C(=C)C(C)CN;JCXXOAYHWVCNNL-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160967;MM160967;C=C(C)C(=C)C(N)CC;CWYPIGNVVCOWCV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160968;MM160968;C=C(C)C(=C)C(N)CF;QYNBHNHRALAQFF-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160969;MM160969;C=C(C(=N)N)C(N)CN;LDZGQPKMFAUSQG-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160970;MM160970;C=C(C(=N)N)C(N)CO;YLGGFSCPASMHMB-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160971;MM160971;C=C(C(=N)N)C(N)CF;OPHDBIHKXXQZHH-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160972;MM160972;C=C(F)C(=C)C(N)CC;XZKRRRGOLGANSV-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160973;MM160973;C=C(F)C(=C)C(N)CN;GHHIUCVUJRBCBM-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160974;MM160974;C=C(F)C(=C)C(N)CF;GSNZZBUZBZYLNA-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160975;MM160975;CC(C)(F)CNC(=O)NN;KHWKPDNIKOXOPM-UHFFFAOYSA-N;149.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160976;MM160976;C=C(C)C(=C)C(O)CF;YIMNLNGIOBNQBT-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160977;MM160977;C=C(C(C)=O)C(O)CO;UZCUCPNHXGJXKV-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160978;MM160978;C=C(C(=N)N)C(O)CC;MWBZAWLOENKLLM-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160979;MM160979;C=C(C(=N)N)C(O)CF;POVSZJMAJABFJP-UHFFFAOYSA-N;132.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160980;MM160980;Cc1cc(=N)nc(O)n1O;WDUZKZVMRJXOAB-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160981;MM160981;C=C(F)C(=C)C(O)CC;YJRJLDNWGWKKPK-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160982;MM160982;C=C(F)C(=C)C(O)CO;HTAOZMIIWRWMID-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160983;MM160983;C=C(C)C(=C)C(F)CC;BXCQXPAKXOTFTN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160984;MM160984;C=C(C)C(=C)C(F)CN;PBKIDTMHQFNTOU-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160985;MM160985;C=C(C)C(=C)C(F)CO;ZSEPJFLXTMZGBZ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160986;MM160986;C=C(C(C)=O)C(F)CF;MOUCYJDMWLXXBN-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160987;MM160987;C=C(C(=N)N)C(F)CC;SUFTVQGVXWZVEO-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160988;MM160988;CC(F)C(C)NC(=O)NN;BFAKFMTUGTZCNR-UHFFFAOYSA-N;149.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160989;MM160989;C=C(C(N)=O)C(F)CO;VEPRDXWANAXHOE-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160990;MM160990;C=C(C(N)=O)C(F)CF;FAFOAUWTAJGDCA-UHFFFAOYSA-N;135.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160991;MM160991;C=C(C(=O)O)C(F)CC;PQAOXEIGRWKYOO-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160992;MM160992;C=C(C)C(=O)C(C)CC;SHTKHGFPVCTKDH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160993;MM160993;C=C(C)C(=O)C(C)CF;QGQLVCXBLFDURY-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160994;MM160994;CCC(C)C(=O)C(C)=O;QMCRCTYASFKQHX-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160995;MM160995;CCC(O)CNNC(N)=O;SCGSWTDQESCWPK-UHFFFAOYSA-N;147.18;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160996;MM160996;C=C(F)C(=O)C(C)CC;CTQBJNQBEKLZIM-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160997;MM160997;C=C(C)C(=O)C(O)CO;ZGRXTABWJLQHQG-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160998;MM160998;CC(=O)C(=O)C(O)CO;UYTRITJAZOPLCZ-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM160999;MM160999;CC(=O)C(=O)C(O)CF;FUUQWWXMXYDQSQ-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161000;MM161000;COC(C)CNNC(N)=O;LYDVTPMYPIQTDP-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161001;MM161001;C#CC1(O)CN(CC=C)C1;SLWXRPAJLILCTA-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161002;MM161002;CCC(O)C(=O)C(N)=O;PYKWNVHAUNYAIQ-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161003;MM161003;NC(=O)C(=O)C(O)CF;KMWDTUYCFNYYIB-UHFFFAOYSA-N;135.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161004;MM161004;CN=c1c(=O)n(O)on1N;NFCTYWXTMQGBRV-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161005;MM161005;Cc1cc(O)nc(=O)n1O;DUUHHKZZTACEIW-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161006;MM161006;C=C(C)C(=O)C(F)CC;WOXZTWYJIZEBBE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161007;MM161007;C=C(C)C(=O)C(F)CF;PFXKTIHSXLQIDR-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161008;MM161008;CCC(F)C(=O)C(C)=O;IEMOMPGVPFYGFW-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161009;MM161009;CC(=O)C(=O)C(F)CO;BTEZDCOAIUGWAC-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161010;MM161010;CN(C)C(=O)CNNC=O;ULKUQMNAVJZVFP-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161011;MM161011;NC(=O)C(=O)C(F)CO;VWBRPYWSNXEKSW-UHFFFAOYSA-N;135.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161012;MM161012;NC(=O)C(=O)C(F)CF;HWUMOFYHJCNAME-UHFFFAOYSA-N;137.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161013;MM161013;Nc1[nH][nH]c(=O)c1F;HQMSYCDPPFXPQS-UHFFFAOYSA-N;117.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161014;MM161014;O=C(O)C(=O)C(F)CF;FWUTWXOPBLIVKA-UHFFFAOYSA-N;138.07;-0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161015;MM161015;C=C(C(=N)N)C(C)NC;NSWATECFNCHISQ-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161016;MM161016;C=C(F)C(=C)C(C)NC;SUHQBAFHRKUYJP-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161017;MM161017;C=C(C)C(=C)C(C)OC;USRNZFLVKJJISF-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161018;MM161018;C=C(C(C)=O)C(C)OC;TUNNPQJOWWBJQN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161019;MM161019;C=C(F)C(=C)C(C)OC;VLJHEPJLTCFESG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161020;MM161020;C=C(C)C(=O)C(C)OC;PEYRXIPMBCLARQ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161021;MM161021;COC(C)C(=O)C(=N)N;CXOCHNBWCXVMMM-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161022;MM161022;COC(C)C(=O)C(N)=O;NFTZUBWJDKKFEH-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161023;MM161023;C=C(C)C(=N)N(C)CC;FQSGEBCKFMQSMV-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161024;MM161024;C=C(C)C(=N)N(N)CC;MGVMVCIOWYBHKL-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161025;MM161025;C=CC1(O)CC1C(=O)NN;QTQRXZQDVFHDAP-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161026;MM161026;C=C1CC(=O)C(=C)O1;ZCDGFMSCIFHNDR-UHFFFAOYSA-N;110.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161027;MM161027;C=C(C)C(=O)N(C)CC;YLVYQHNZVBDPES-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161028;MM161028;C=C(F)C(=O)N(N)CC;UZLJDSUSYKNLOF-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161029;MM161029;O=c1[nH]oc2c(F)nnn12;NDZDZAOVDJRGPJ-UHFFFAOYSA-N;144.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161030;MM161030;CNN(C)C(=N)C(=N)N;RPKJRBKWWIADTH-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161031;MM161031;C=C(C)C(=O)N(C)NC;WWWKPVFMWQUMID-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161032;MM161032;C=CC(O)C(=O)N(C)N=C;IKEOFNCJLVKGMB-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161033;MM161033;C#CC(O)C=NNC=NN;JZROFYHVBQLJLI-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161034;MM161034;CON(C)C(=N)C(=N)N;FGPAEJNOOKGTHE-UHFFFAOYSA-N;130.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161035;MM161035;CC=Cc1nc(OC)c[nH]1;XOGPVVATGCZREY-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161036;MM161036;Oc1cn(O)c(F)c1O;AXRQICFVUUTEIX-UHFFFAOYSA-N;133.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161037;MM161037;C=C(F)C(=N)N(C)OC;AOQKUBVTFIQQRO-UHFFFAOYSA-N;132.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161038;MM161038;CON(C)C(=O)C(=N)N;GEBRKRYGMAONDL-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161039;MM161039;C=C(F)C(=O)N(C)OC;MLSRFRBXFYXEGY-UHFFFAOYSA-N;133.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161040;MM161040;C=CC(C)C(=C)C(=C)C;CHHAMZKTIZXVOP-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161041;MM161041;C=C(C)C(=C)C(C)C=O;VEUFEYOTBYGARH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161042;MM161042;C=C(C)C(=C)C(C)C#N;FEQXNEDSPIKNAO-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161043;MM161043;C=CC(C)C(=C)C(C)=O;CRSGRZDEQAVGEM-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161044;MM161044;C=C(C(C)=O)C(C)C=O;NASGHUXQAQSTOM-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161045;MM161045;C=C(C(=N)N)C(C)C=O;DNECFAFQCLILPH-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161046;MM161046;COc1cc(NC=N)n[nH]1;DALJXAZJHOAFSV-UHFFFAOYSA-N;140.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161047;MM161047;C=CC(C)C(=C)C(=O)O;NDFFLHXLAYUCMC-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161048;MM161048;Nc1c(F)on(O)c1=O;GGKGGPRZIJXPDN-UHFFFAOYSA-N;134.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161049;MM161049;C=C(C(=O)O)C(C)C#N;DUAFWDYPHPQZIT-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161050;MM161050;C=CC(C)C(=C)C(=C)F;PAQWRAIMYCTVKC-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161051;MM161051;C=C(F)C(=C)C(C)C=O;RIWVDLUXCRUPSL-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161052;MM161052;C=C(F)C(=C)C(C)C#N;IWLIIRMXOYKNPA-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161053;MM161053;C=CC(N)C(=C)C(=C)C;JEXDWFSMTOWJDZ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161054;MM161054;C=CC(N)C(=C)C(=N)N;BGOBXVOMWLCGIB-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161055;MM161055;C=Cc1c[nH]c(N=O)c1C;VCSIHGKVJYRCHY-UHFFFAOYSA-N;136.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161056;MM161056;C=C(C)C(=C)C(O)C#N;IGVNZCVOBRWDSE-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161057;MM161057;C=CC(O)C(=C)C(C)=O;RNOCUVOEHNXZES-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161058;MM161058;C=C(C(C)=O)C(O)C=O;GKADIEBOMYGQDY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161059;MM161059;C=C(C(=N)N)C(O)C=O;DFBVJABVAIUHHV-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161060;MM161060;C=C(C(N)=O)C(O)C=O;RZOPXQIPRAIPNZ-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161061;MM161061;C=CC(O)C(=C)C(=C)F;RGZXHUREYOUFKN-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161062;MM161062;C=CC(F)C(=C)C(=C)C;PHQUWVLZQWBOJU-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161063;MM161063;C=C(C)C(=C)C(F)C=O;ZTNQMKNRUHEGEI-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161064;MM161064;C=C(C)C(=C)C(F)C#N;CVAQZVXZFJQVBX-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161065;MM161065;C=CC(F)C(=C)C(=C)F;FBEBJHDUKAUCRC-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161066;MM161066;C=CC(C)C(=O)C(=C)C;ZEXGFRXXTHRBLX-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161067;MM161067;C#CC(O)C=NN;BUAUHHMPOQDLKD-UHFFFAOYSA-N;98.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161068;MM161068;CC(C=O)C(=O)C(N)=O;DAFOASCYDCXYRN-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161069;MM161069;C=CC(C)C(=O)C(=C)F;WGDCJBQAICJQEU-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161070;MM161070;C=CC(O)C(=O)C(=C)C;NZJJXLZQQUYRRG-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161071;MM161071;C=C(C)C(=O)C(O)C=O;HSXZWYOJSZOKGA-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161072;MM161072;C=Cc1nc(=O)n(O)n1O;HXMFGZZYJOHEGR-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161073;MM161073;NC(=O)C(=O)C(O)C=O;KNJZXJJJIZKPFB-UHFFFAOYSA-N;131.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161074;MM161074;CCON=c1occ(O)o1;HXNIANKEQPEDEA-UHFFFAOYSA-N;145.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161075;MM161075;C=CC(O)C(=O)C(=C)F;ZRBDGGGWHZRQBC-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161076;MM161076;C=C(C)C(=C)N(C)C=N;VPPJCRVNJGFPAX-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161077;MM161077;C=C(C)C(=C)N(C)C=O;KWGPTIQFHCIDBL-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161078;MM161078;C=C(C(=N)N)N(C)C=N;ZFGGVOMEVSBXEC-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161079;MM161079;C=C(C(=N)N)N(C)C=O;VHBKNUGCTGPLAG-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161080;MM161080;C=C(C(N)=O)N(C)C=N;VRWRIULPUPUCOL-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161081;MM161081;CC(=O)NNCCO;SJGPVMWAWFCTQG-UHFFFAOYSA-N;118.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161082;MM161082;C=C(F)C(=C)N(C)C=N;BPVBHJNQPGXSCA-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161083;MM161083;C=C(F)C(=C)N(C)C=O;PSTXNPRBRIRZIK-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161084;MM161084;C=C(C)C(=C)N(N)C=O;SDVPOQLYSABYTC-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161085;MM161085;C=C(C(=N)N)N(N)C=O;PNDLDGIMYXYBTQ-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161086;MM161086;C=C(F)C(=C)N(N)C=O;DGIGLPKQIFJYJH-UHFFFAOYSA-N;130.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161087;MM161087;C=C(C)C(=C)N(O)C=N;DKDQKOZXQIKIJJ-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161088;MM161088;C=C(C(=N)N)N(O)C=N;ALZKNWPSGQLPJA-UHFFFAOYSA-N;128.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161089;MM161089;C=CN(C)C(=N)C(=C)C;ZPBFDDLLWJEVQF-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161090;MM161090;C=C(C)C(=N)N(C)C=N;JLXHXBYPMLIIPD-UHFFFAOYSA-N;125.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161091;MM161091;C=C(C)C(=N)N(C)C=O;SKYZZHHUZVRNHJ-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161092;MM161092;CNNC(=O)CCO;XZTOEGVRORHKKB-UHFFFAOYSA-N;118.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161093;MM161093;C=CN(C)C(=N)C(=N)N;YNRXMSONPLCEIK-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161094;MM161094;CN(C=O)C(=N)C(N)=O;JOIGYKKNCIHLSA-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161095;MM161095;C=CN(N)C(=N)C(=C)C;FXVZVZFLNLXGKG-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161096;MM161096;CCN(N)C(=O)NN;IMNRCDZAQJOHKM-UHFFFAOYSA-N;118.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161097;MM161097;C=C(F)C(=N)N(N)C=O;APNMPUKKPAFIII-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161098;MM161098;C=CN(O)C(=N)C(=C)C;AUHZSVAMELFBPQ-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161099;MM161099;CN1N=CC(O)C1=N;ODEGIZKXSLHWEG-UHFFFAOYSA-N;113.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161100;MM161100;N#CCc1cn[nH]c1;HWEJDOAPQGNKAE-UHFFFAOYSA-N;107.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161101;MM161101;C=CN(O)C(=N)C(=N)N;BEMBALPDRRRLMI-UHFFFAOYSA-N;128.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161102;MM161102;Cn1nc(C#N)nc1O;VOZNTMGFCFUBKG-UHFFFAOYSA-N;124.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161103;MM161103;C=NN(C)CC(=O)NN;YGOSGDUYMOXNNK-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161104;MM161104;C=CN(C)C(=O)C(=C)C;PLCKPSKBXZNEKA-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161105;MM161105;CC(O)COC(=O)NN;WBFZHJXKTITYLJ-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161106;MM161106;C=CN(C)C(=O)C(N)=O;OTMGHXJKUDDJLG-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161107;MM161107;CCC(=O)CNNC=O;LVOPIPKQKUKHFB-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161108;MM161108;CN(C=O)C(=O)C(N)=O;BDVIRBRVBSDHLB-UHFFFAOYSA-N;130.1;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161109;MM161109;COC=COC(CF)=NO;DVGVRQZAQYMWIV-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161110;MM161110;Nn1c(=O)on(O)c1=O;JHUHUUQBLUEQME-UHFFFAOYSA-N;133.06;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161111;MM161111;CC=NNCC(=O)NN;NDZWDXSLJCGGMS-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161112;MM161112;C#CC(O)C=NNCC;RYDJZOMSXPQGSH-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161113;MM161113;NC(=O)C(=O)N(N)C=O;ZRMNEBPXJWTFOA-UHFFFAOYSA-N;131.09;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161114;MM161114;Cc1c(O)c(F)n(N)c1F;GRNPSRLYMVFIJW-UHFFFAOYSA-N;148.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161115;MM161115;C=CN(N)C(=O)C(=C)F;VESIAJCDAYQCDO-UHFFFAOYSA-N;130.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161116;MM161116;C=C(F)C(=O)N(N)C=N;WWRFAYJTCYECIP-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161117;MM161117;C=C(F)C(=O)N(N)C=O;PMIJMVLZQVKMHR-UHFFFAOYSA-N;132.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161118;MM161118;C=CN(O)C(=O)C(=C)F;IFWBDLMTLKSAKG-UHFFFAOYSA-N;131.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161119;MM161119;C=C1NC(=O)N(N)C1C;OATQCSGYCQKOFF-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161120;MM161120;C=NN(C)C(=N)C(=C)F;CVKFILZKAKTNLM-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161121;MM161121;C=NN(C)C(=O)C(=C)F;NOFFYCGNUVTQNW-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161122;MM161122;C#CC(C)C(=C)C(=C)C;LRXNCHQWAVHYHJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161123;MM161123;C#CC(C)C(=C)C(C)=O;NKZIQZQAWWNSQE-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161124;MM161124;CNN=CC(O)C(C)(C)F;PHXQLKCVFZHWTO-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161125;MM161125;C#CC(C)C(=C)C(=C)F;KEWXPPHYUYAFGS-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161126;MM161126;C#CC(N)C(=C)C(=C)C;XPCGWIIFVTZQSV-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161127;MM161127;C#CC(N)C(=C)C(=N)N;XQQYJXRLVGOKFW-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161128;MM161128;C#CC(N)C(=C)C(=C)F;IJQZIZPTYLRZLK-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161129;MM161129;C#CC(O)C(=C)C(=C)C;WQPOSOLCSJRSPE-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161130;MM161130;C#CC(O)C(=C)C(N)=O;ZVOGAERNEXKSDT-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161131;MM161131;C#CC(O)C(=C)C(=C)F;QAUKZRSLHBWNOL-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161132;MM161132;C#CC(F)C(=C)C(=C)C;IZOCSPLRIUHFFH-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161133;MM161133;C#CC(F)C(=C)C(C)=O;DAELXXBOSSPVHR-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161134;MM161134;C#CC(C)C(=O)C(=C)C;RDVGWFZBFKFCLS-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161135;MM161135;C#CC(C)C(=O)C(C)=O;DWXLCXNTJLYWDK-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161136;MM161136;CC(O)(CO)C(O)C=NN;CSJGKXOUGIYQPE-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161137;MM161137;C#CC(C)C(=O)C(N)=O;HYFJDNIPCFGCOF-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161138;MM161138;C#CC(O)C(=O)C(C)=O;PPWWJZVBNYKKOD-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161139;MM161139;C#CC(O)C(=O)C(=C)F;ZNXJDGBZQVAWSP-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161140;MM161140;C=C(CC)C(=C)C(C)C;OGLLKVOLISNOQK-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161141;MM161141;C=C(CN)C(=C)C(C)C;IJRTYOZHWFZODF-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161142;MM161142;C=C(CO)C(=C)C(C)C;FNGUZKKABFSPNH-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161143;MM161143;C=C(CF)C(=C)C(C)C;SFVGUOUVDCLPJA-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161144;MM161144;C=C(CC)C(=C)C(C)N;CPMAUUUUIZXAEX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161145;MM161145;C=C(CF)C(=C)C(C)N;ZQBCORRMNDYGIT-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161146;MM161146;CNNC(=O)NCC(C)O;HVRPBGWYJUYDRW-UHFFFAOYSA-N;147.18;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161147;MM161147;C=C(CC)C(=C)C(C)F;MZBHPPIFBQZCMG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161148;MM161148;C=C(CN)C(=C)C(C)F;KZESCIMLHBSTSA-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161149;MM161149;C=C(CO)C(=C)C(C)F;LXVZKRMDCOKCTM-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161150;MM161150;C=C(CC)C(=C)C(F)F;YRWFUFFXZSEKOL-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161151;MM161151;C=C(CN)C(=C)C(F)F;KLKQURDVNOKPKN-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161152;MM161152;C=C(CO)C(=C)C(F)F;YGBUMFBPBWRSKK-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161153;MM161153;C=C(C(=O)CC)C(C)C;ZUVXVCXXZLUIAR-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161154;MM161154;C=C(C(=O)CO)C(C)C;KLSOJSPBZGNXPZ-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161155;MM161155;C=C(C(=O)CO)C(C)O;OYIMLQFUQQJKJG-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161156;MM161156;C=C(CC)C(=O)C(C)C;INTCTSVBHXUUPJ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161157;MM161157;C=C(CO)C(=O)C(C)F;CYDXAIASUJRFRF-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161158;MM161158;CC(C)C(=O)C(=O)CO;UWJHVQDTKNFEKW-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161159;MM161159;CC(O)C(=O)C(=O)CO;JGOHUOVWQKZOHS-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161160;MM161160;CC(O)C(=O)C(=O)CF;ZPZLKDJWVHEYNQ-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161161;MM161161;CC(F)C(=O)C(=O)CF;WDDPYVJSPJIPEY-UHFFFAOYSA-N;136.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161162;MM161162;CCC(=O)C(=O)C(F)F;GFKQYBMSIGKXHC-UHFFFAOYSA-N;136.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161163;MM161163;O=C(CF)C(=O)C(F)F;YGVHEMYCTRFPHB-UHFFFAOYSA-N;140.06;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161164;MM161164;C=C(C(=N)NC)C(C)C;CWPAHYPMLCUWGG-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161165;MM161165;C=C(C(=N)NO)C(C)C;PHVNFZZAJWVMHC-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161166;MM161166;C=C(C(=N)NO)C(C)N;WYXCEJTZDYJYKR-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161167;MM161167;C=C(C(=N)NN)C(C)O;VIJURUZNWZZSEU-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161168;MM161168;C=C(C(=N)NO)C(C)O;CQLSHZQGZZLPJV-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161169;MM161169;C=C(C(=N)NC)C(F)F;IUMGBDRGZKVTAS-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161170;MM161170;C=C(C(=N)NN)C(F)F;IODNFCJEKFXKGC-UHFFFAOYSA-N;135.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161171;MM161171;C=C(C(=N)NO)C(F)F;ASMUVHKGCNCUKS-UHFFFAOYSA-N;136.1;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161172;MM161172;C=C(C(=O)NC)C(C)N;SYVVHERKUIICET-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161173;MM161173;C=C(C(=O)NO)C(C)N;XFVWKRDPNIPPAI-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161174;MM161174;COCC(O)CC(=O)NN;FNVMVKHAOMFPCF-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161175;MM161175;C=C(C(=O)NO)C(C)O;VFRFBNDIZVPIKP-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161176;MM161176;CNNC(=O)NC(C)CO;FGZXIUXIWXCCIP-UHFFFAOYSA-N;147.18;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161177;MM161177;C#CC(=O)NN(C)C=NN;ZLUWXBUECIJUEB-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161178;MM161178;CC=CC(=O)NNCCF;KJBLVLHCKOZGOY-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161179;MM161179;C=C(OC)C(=C)C(C)C;LXPGGGCARJEVNA-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161180;MM161180;C=C(OC)C(=C)C(C)N;TYLKZXUADBCLPQ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161181;MM161181;C=C(OC)C(=C)C(C)O;UHLQMCXVNSSHMO-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161182;MM161182;C=C(OC)C(=C)C(C)F;MVXAPNYWZNTXQR-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161183;MM161183;C=C(C(=O)OC)C(C)C;IJMWNARRWGXIEF-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161184;MM161184;C=C(OC)C(=O)C(C)C;LUFFEKOSWLGUGD-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161185;MM161185;COC(=O)C(=O)C(F)F;NTVXPNNVBNHMOK-UHFFFAOYSA-N;138.07;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161186;MM161186;C=C(CC)C(=N)N(C)C;AGUBMPZVQFKJEJ-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161187;MM161187;C=C(CN)C(=N)N(C)C;XAYASEZYRXHFLG-UHFFFAOYSA-N;127.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161188;MM161188;C=C(CO)C(=N)N(C)C;VIXYHMMROLCBNO-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161189;MM161189;C=C(CO)C(=N)N(C)N;JKZRCIMAJPDEFJ-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161190;MM161190;C=C(CC)C(=N)N(C)O;KPNCQXKFMRRTRZ-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161191;MM161191;C=C(CN)C(=N)N(C)O;IQQMSEURKBFNME-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161192;MM161192;CNNC(=O)C(C)=CCF;OTIWOKYLIUARMP-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161193;MM161193;CNN=c1on(C)cc1O;IXJSCOXABVEUEQ-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161194;MM161194;CCC(F)CNC(=O)NN;YHARURJRGHYTBP-UHFFFAOYSA-N;149.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161195;MM161195;C=NN1CC1C(C)(O)C=O;LRZCDHKSXTVLNM-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161196;MM161196;C=C(CN)C(=O)N(C)C;XIHSRWBFZRTSRT-UHFFFAOYSA-N;128.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161197;MM161197;C=C(CO)C(=O)N(C)C;HIZROEXCAXJYBK-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161198;MM161198;C=C(CC)C(=O)N(C)N;ZXJGMBCZBCVSPZ-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161199;MM161199;C=CC(O)C(=O)N(N)C=N;GNXJFOBSCHICHV-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161200;MM161200;C=C(CC)C(=O)N(C)O;BZPHVNNFASRCJR-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161201;MM161201;C=C(CO)C(=O)N(C)O;VDPTUSVZBXNSJB-UHFFFAOYSA-N;131.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161202;MM161202;CCC(=O)C(=O)N(C)C;UXUFOVROWNTDDP-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161203;MM161203;CNC(=N)C(=N)N(C)C;LPPUWTPLWZMAQI-UHFFFAOYSA-N;128.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161204;MM161204;CN(C)C(=N)C(=N)NN;QEJMWTVWMMOMBW-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161205;MM161205;CN(C)C(=N)C(=N)NO;BSDZRXLZKVCNGK-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161206;MM161206;CNC(=N)C(=N)N(C)N;FKJFOCRKBBXQDB-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161207;MM161207;CN(N)C(=N)C(=N)NN;VUWVEVRINHFMAA-UHFFFAOYSA-N;130.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161208;MM161208;CN(N)C(=N)C(=N)NO;VNYYNDZTVAAZCF-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161209;MM161209;CNC(=N)C(=N)N(C)O;LRXWPHGDJWPZDD-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161210;MM161210;CON=CC(O)C(O)CF;FTHBDUDLDVVYMA-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161211;MM161211;O=CC(O)CON=CCO;VXWIKRLAHNLSEN-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161212;MM161212;CCCC(OC)C(=O)NN;SENDRWHYDSKGKE-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161213;MM161213;CN(O)C(=N)C(=O)NO;MIMDYSRCHWZOGZ-UHFFFAOYSA-N;133.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161214;MM161214;CCC(C#N)N=CNOC;NXAFLEYOQOCECG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161215;MM161215;N=C1NN=CC1O;ZHBKDTBTKWVOOQ-UHFFFAOYSA-N;99.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161216;MM161216;C=CNC(=O)NNC;SWLGQTHULMKWSG-UHFFFAOYSA-N;115.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161217;MM161217;CNC(=O)C(=O)N(C)C;UONGQILKBBDHDJ-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161218;MM161218;C=C(OC)C(=N)N(C)C;PFKTWVJEKKOMMT-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161219;MM161219;C=CC(=C)C(=C)C(C)C;YXZAUHSELVHCNH-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161220;MM161220;C=C(C=O)C(=C)C(C)C;QBZOYNWBYDQNAD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161221;MM161221;C=C(C#N)C(=C)C(C)C;NNPXCIZMKNALFE-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161222;MM161222;C=CC(=C)C(=C)C(C)N;BAZQDYFSVBVODD-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161223;MM161223;C=NOCC(O)C=O;BNTAXBPBSJFTET-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161224;MM161224;C=C(C#N)C(=C)C(C)O;ZGFXWJABJJGCQO-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161225;MM161225;C=CC(=C)C(=C)C(C)F;GDQPQMLNTOSVEB-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161226;MM161226;C=C(C=O)C(=C)C(C)F;UBPAXNSBHYNUEO-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161227;MM161227;C=C(C#N)C(=C)C(C)F;GWKTXWIXOBCZFZ-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161228;MM161228;C=CC(=O)C(=C)C(C)C;WNTLTFSECKFREY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161229;MM161229;C=CC(=O)C(=C)C(C)F;LFTPCFFDTGNQBC-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161230;MM161230;C=C(C(=O)C=O)C(C)F;BCIBPVBUZKKBGV-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161231;MM161231;C=CC(=C)C(=O)C(C)C;WQCXZLKPBORZIZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161232;MM161232;C=C(C=O)C(=O)C(C)C;MQULZEFOUQZCOD-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161233;MM161233;C=C(C#N)C(=O)C(C)C;MPKCABBIXMZZRM-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161234;MM161234;C=C(C=O)C(=O)C(C)O;YGCZKVXHWDMNGQ-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161235;MM161235;C=CC(=C)C(=O)C(C)F;XCPZQJQYHSPCCE-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161236;MM161236;C=C(C#N)C(=O)C(C)F;BCNINNCBJDEUQR-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161237;MM161237;C=C(C=O)C(=O)C(F)F;RUHZYEFGWZIOIU-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161238;MM161238;CC(C)C(=O)C(=O)C=O;WETHXHAOPNKQLZ-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161239;MM161239;C=CC(=O)C(=O)C(C)O;AXQZPUYMDFFHAQ-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161240;MM161240;CC(O)C(=O)C(=O)C=O;QJTUHDZIMCHSGY-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161241;MM161241;CC(F)C(=O)C(=O)C#N;BJTSASPNKOVQKT-UHFFFAOYSA-N;129.09;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161242;MM161242;C=CC(=O)C(=O)C(F)F;WDZICSBRZWXATA-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161243;MM161243;C=CC(=C)C(=N)N(C)C;QEXIJWIHWWOKDP-UHFFFAOYSA-N;124.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161244;MM161244;C=C(C=O)C(=N)N(C)C;ZHKJOLRXLHUDJC-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161245;MM161245;C=CC(=C)C(=N)N(C)N;OZDPFSTZEMNUSX-UHFFFAOYSA-N;125.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161246;MM161246;CN(C)C(=N)C(=O)C=O;WTHSBEZEZZKZDF-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161247;MM161247;COCCOC(=O)NN;VINQXWXGZIDQCE-UHFFFAOYSA-N;134.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161248;MM161248;C=CC(=C)C(=O)N(C)C;UPBGFEABBIWMEQ-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161249;MM161249;C=C(C#N)C(=O)N(C)C;KNFDBMVKUNZEAA-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161250;MM161250;C=CC(=C)C(=O)N(C)O;RUMPRQQURPYPSA-UHFFFAOYSA-N;127.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161251;MM161251;C#CC(=C)C(=C)C(C)C;YQYYKHQMRAXCMI-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161252;MM161252;C#CC(=C)C(=C)C(C)N;TWVJRZUKENZQMQ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161253;MM161253;CNc1cn(C)c(O)n1;DXPMSNQXLRLFJN-UHFFFAOYSA-N;127.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161254;MM161254;C#CC(=C)C(=C)C(C)F;CRDCYVDQJZDGLH-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161255;MM161255;C#CC(=O)C(=C)C(C)C;GTKIFCCSTNSYPQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161256;MM161256;C#CC(=C)C(=O)N(C)C;SWSXTJDEXJZPFJ-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161257;MM161257;C=C(C)C(=C)C(=C)CC;FIOOCTDUSPRSES-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161258;MM161258;C=C(C)C(=C)C(=C)CN;PBDHTBWJZBUBLI-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161259;MM161259;NNC(=O)C1CC(O)C1;HEIKYQJIYJXFMX-UHFFFAOYSA-N;130.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161260;MM161260;C=C(CC)C(=C)C(C)=O;YAKRYPDTKQOVJV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161261;MM161261;C=C(CF)C(=C)C(C)=O;FFCJLTCYUDDWOA-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161262;MM161262;C=C(CN)C(=C)C(=N)N;OCLBHOABSZICDR-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161263;MM161263;C=C(CF)C(=C)C(=N)N;LDQQLLGWFJEKSZ-UHFFFAOYSA-N;128.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161264;MM161264;C#CC(CC)NNC=O;OYLKNNXIYDVVFI-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161265;MM161265;C=C(CN)C(=C)C(N)=O;UMRSLMQIAJJFDJ-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161266;MM161266;C=C(F)C(=C)C(=C)CO;AAFFGSOIAJDMPW-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161267;MM161267;C=C(F)C(=C)C(=C)CF;BCENPVWAWFOMAK-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161268;MM161268;C=C(C)C(=C)C(=O)CC;LUSSHOMEUPUZNF-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161269;MM161269;C=C(C)C(=C)C(=O)CF;JXMUJLNUBMTKRU-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161270;MM161270;C=C(C(C)=O)C(=O)CC;ZVKQBEWDEHCMDL-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161271;MM161271;C=C(C(C)=O)C(=O)CO;REGYMKTYOLSJGG-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161272;MM161272;C=C(C(=N)N)C(=O)CC;DMLCJNQSYFGDJU-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161273;MM161273;C=C(C(=N)N)C(=O)CO;FTRYXCXXGIJHLU-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161274;MM161274;C=C(C(=N)N)C(=O)CF;AMQSLOOWGNQBNZ-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161275;MM161275;C=C(C(N)=O)C(=O)CO;WALPKNFHDORNDY-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161276;MM161276;N=c1oc(=NO)[nH]cc1O;HXWBSOLXRDUDKL-UHFFFAOYSA-N;143.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161277;MM161277;C=C(F)C(=C)C(=O)CF;MKQZYRQHVRWIOA-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161278;MM161278;C=C(C)C(=O)C(=C)CC;KLEZTAXNCXZACH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161279;MM161279;C=C(CC)C(=O)C(C)=O;BPNWGQRJIZGFIR-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161280;MM161280;C=C(CF)C(=O)C(N)=O;SFPBIJQKZHYNLE-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161281;MM161281;Nn1cnc(O)nc1=O;HIUSJCCJQZSYRQ-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161282;MM161282;C=C(C)C(=O)C(=O)CC;DKRCGEGJSBPJGY-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161283;MM161283;C=C(C)C(=O)C(=O)CO;ATBHRUCRFHMFNA-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161284;MM161284;CCC(=O)C(=O)C(C)=O;FYLKBSXPBXZFJV-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161285;MM161285;CCC(=O)C(=O)C(N)=O;PVQLYMVQSJRYHD-UHFFFAOYSA-N;129.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161286;MM161286;NC(=O)C(=O)C(=O)CO;IIHJGMVCLPJDQS-UHFFFAOYSA-N;131.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161287;MM161287;Nn1[nH]c(CF)cc1=O;QBMWLOBXUMSHIJ-UHFFFAOYSA-N;131.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161288;MM161288;C=C(F)C(=O)C(=O)CF;QOYLSBOGTSAHBF-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161289;MM161289;C=C(C)C(=C)C(=N)NC;FJPSTRRPCYHUQT-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161290;MM161290;C=C(C(=N)N)C(=N)NC;JQSIGJACTXNZOX-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161291;MM161291;C=C(C(=N)N)C(=N)NN;PTXAUQCWLPCDQF-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161292;MM161292;C=C(C(=N)N)C(=N)NO;AOJOMSFMOWZMNW-UHFFFAOYSA-N;128.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161293;MM161293;NN=c1cc(O)on1O;PTUTVCUCYNWPKV-UHFFFAOYSA-N;131.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161294;MM161294;CC=NOC(=O)C(C)(C)O;PLCTXAPHGBEGMF-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161295;MM161295;N=C(N)C(F)(F)CNC=O;UMXYTUKTJVEITD-UHFFFAOYSA-N;151.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161296;MM161296;C=C(C(N)=O)C(=O)NC;BQCCPOCNVUOVDZ-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161297;MM161297;NN=c1[nH]cc(F)o1;VNCBXIQIICGKSC-UHFFFAOYSA-N;117.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161298;MM161298;C=C(F)C(=C)C(=O)NC;CQLGAEIQUNCVDW-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161299;MM161299;N=C(NO)C(=O)C(N)=O;GXSCTIQMIHZTDP-UHFFFAOYSA-N;131.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161300;MM161300;Cn1cc(O)oc(=O)c1=N;JPPCVKFHMREJLP-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161301;MM161301;C=C(F)C(=O)C(N)=NO;AAGSCVYVKBMCFJ-UHFFFAOYSA-N;132.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161302;MM161302;C=C(F)C(=O)C(=O)NC;BMMBJWFMXAGZIY-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161303;MM161303;C=C(C)C(=C)C(=C)OC;YIDJHYMQMNXAMW-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161304;MM161304;C=C(OC)C(=C)C(=N)N;PPMPUGGVUDUCTM-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161305;MM161305;C=C(F)CCCNNC=O;ZLEJYRRTKCZAMD-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161306;MM161306;C=Nn1nc(O)n(N)c1=N;ITVBCCQQCANYLO-UHFFFAOYSA-N;142.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161307;MM161307;C=C(F)C(=C)C(=C)OC;UQFXYKJPOBYNTD-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161308;MM161308;C=C(C)C(=C)C(=O)OC;VLIKKTQUHUDSKV-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161309;MM161309;C=C(OC)C(=O)C(C)=O;TVSWLGZWYMQLIS-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161310;MM161310;C=C(OC)C(=O)C(N)=O;SGQUYENEGPFYHO-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161311;MM161311;C=C(F)C(=O)C(=O)OC;NOFFVNSMYBFCQK-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161312;MM161312;C=CC(=C)C(=C)C(=C)C;IOBPQFICNALHOX-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161313;MM161313;C=C(C)C(=C)C(=C)C=O;PFDYJJKINNIMFO-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161314;MM161314;C=CC(=C)C(=C)C(C)=O;PCOQJRKPTGMRHT-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161315;MM161315;C=C(C=O)C(=C)C(C)=O;BOFLQLONDUFODX-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161316;MM161316;C=C(C#N)C(=C)C(C)=O;JHXPKCLEFJBWCL-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161317;MM161317;C=C(C=O)C(=C)C(=N)N;SIITWLYSYORUDJ-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161318;MM161318;CCON=CNNC(N)=O;OLDIQXWRCHXUSO-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161319;MM161319;C=CC(=C)C(=C)C(=O)O;DYYUANPDAZDFRH-UHFFFAOYSA-N;124.14;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161320;MM161320;C=C(C#N)C(=C)C(=O)O;DWJYPRIWUVCIEC-UHFFFAOYSA-N;123.11;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161321;MM161321;C=CC(=O)C(=C)C(=C)C;KVZDAOGMWGQYGL-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161322;MM161322;C=C(C(C)=O)C(=O)C#N;AWGVDBYDQOWDTJ-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161323;MM161323;C=CC(=O)C(=C)C(=N)N;FSLJBDXYIOHTBI-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161324;MM161324;NN=CN=CNNC(N)=O;VNRMQBYUIKOTRB-UHFFFAOYSA-N;144.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161325;MM161325;C=CC(=O)C(=C)C(=C)F;XWGMOAZNODSVHT-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161326;MM161326;C=CC(=C)C(=O)C(=C)C;FFFWOBVCGFQFPZ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161327;MM161327;C=C(C)C(=O)C(=C)C=O;PHLLTELIYHGRBG-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161328;MM161328;C=C(C)C(=O)C(=C)C#N;WRMJAOVETYZXLQ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161329;MM161329;C=C(C#N)C(=O)C(C)=O;MWBQQIIBIQQVQF-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161330;MM161330;C=C(C#N)C(=O)C(N)=O;SXUMAXFOXKOBAC-UHFFFAOYSA-N;124.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161331;MM161331;C=C(F)C(=O)C(=C)C#N;ONTVREJXZFNQIS-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161332;MM161332;CC(=O)C(=O)C(=O)C=O;KDLDWLXQVYMIBX-UHFFFAOYSA-N;128.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161333;MM161333;C=CC(=O)C(=O)C(=O)O;KGLUKXKXGCFHFA-UHFFFAOYSA-N;128.08;-0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161334;MM161334;C=C(F)C(=O)C(=O)C#N;UZSBAJUPZHBTDI-UHFFFAOYSA-N;127.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161335;MM161335;C#CC(=C)C(=C)C(=C)C;NARSSXTYMGRIJY-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161336;MM161336;C#CC(=C)C(=C)C(C)=O;CXPYALCFNLRYBF-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161337;MM161337;C#CC(=C)C(=C)C(=N)N;NPSMJSADJYJVSO-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161338;MM161338;C#CC(=C)C(=C)C(=O)O;LCDWZJVATVQPRE-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161339;MM161339;C#CC(=O)C(=C)C(=C)C;ASFCBRPZOUWOBZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161340;MM161340;C#CC(=O)C(=C)C(=C)F;LVIBJNMMSLQMIA-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161341;MM161341;C#CC(=C)C(=O)C(=C)C;XEYGSHWZAGHMQW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161342;MM161342;C#CC(=C)C(=O)C(C)=O;OGWOQIBPTSMXGO-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161343;MM161343;C#CC(=C)C(=O)C(=C)F;VOARKXWKTOPHEZ-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161344;MM161344;C#CC(=O)C(=O)C(=C)F;LYPBUTSEMVARMI-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161345;MM161345;CC=C(C)C(C)C(C)C;CUFRHWOQDVIJEV-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161346;MM161346;CC(=CF)C(C)C(C)C;YDHFXDWORZQPNO-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161347;MM161347;CC=C(C)C(C)C(C)N;MJRJJKPYMQZCCY-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161348;MM161348;CNNC(=O)NCCCO;JOMXFYXAIZSOCF-UHFFFAOYSA-N;147.18;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161349;MM161349;CC(=CF)C(C)C(C)O;LOLBOIBEYYDIOW-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161350;MM161350;CC=C(C)C(C)C(C)F;NMFUHYSDPUYHQT-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161351;MM161351;CC(=CF)C(C)C(C)F;KXWAPBIDJLEHEI-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161352;MM161352;CC=C(C)C(C)C(F)F;NIFVMHHINRNGLP-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161353;MM161353;CC=C(F)C(C)C(C)N;XBEIVSYCYAMXNI-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161354;MM161354;CC(N)C(C)C(F)=CF;AFSHNSNTGINXOV-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161355;MM161355;CC=C(F)C(C)C(C)O;ORRLYZKJVLNUEG-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161356;MM161356;CC(F)C(C)C(F)=CF;NPOFJYCIHODRPA-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161357;MM161357;CC=C(C)C(N)C(C)C;VLLPHLZNSVHBCK-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161358;MM161358;CC(=CF)C(N)C(C)C;VQULXCZXWRXJCO-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161359;MM161359;CC=C(C)C(N)C(C)F;IFPACICHFNJHFU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161360;MM161360;CC(=CF)C(N)C(C)F;KICWORVVRSMLRR-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161361;MM161361;CC=C(F)C(N)C(C)C;MSWFFZVJWXCTEY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161362;MM161362;CC(=CF)C(O)C(C)C;JZSOJASIWFBRCU-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161363;MM161363;CC(=CF)C(O)C(C)O;ZAFORKKRYQBTGS-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161364;MM161364;OC(C(F)=CF)C(F)F;WVZJRJQGJXAQLN-UHFFFAOYSA-N;144.07;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161365;MM161365;CC(=CF)C(F)C(C)C;LZUPIYANSMLNAT-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161366;MM161366;CC=C(C)C(F)C(C)N;HSTLWAREGGYPFZ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161367;MM161367;CC(=CF)C(F)C(C)N;OMZHUKNWWAQBGW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161368;MM161368;CC(=CF)C(F)C(C)O;FVOVAAYVQSJYFH-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161369;MM161369;CC(=CF)C(F)C(C)F;NVDGUULSITVTDC-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161370;MM161370;CC=C(C)C(F)C(F)F;KKCLWSMXGZZUIV-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161371;MM161371;CC(=NO)C(C)C(C)C;UWBARGSYXUJFCR-UHFFFAOYSA-N;129.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161372;MM161372;CC(=NO)C(C)C(C)N;OYJGMOUSVXWLDU-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161373;MM161373;CC(=NO)C(C)C(C)F;QIRDGXXFZABCIN-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161374;MM161374;CC(=NO)C(N)C(C)C;QXEPMNBCFWCGDC-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161375;MM161375;CNNC(=O)NCCOC;HTMOORMCJUHIHD-UHFFFAOYSA-N;147.18;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161376;MM161376;CNN=CCC(=O)NNC;GYPLOAQHFUDNFZ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161377;MM161377;CC=C(C)C(C)N(C)C;CMJWZWBJJURPNV-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161378;MM161378;CN=C(C)N(O)C(C)C;ONGOVTFRBUYJFN-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161379;MM161379;C=C(C)C(C)C(C)=CC;FITBZIOACHQJSD-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161380;MM161380;C=C(C)C(C)C(C)=CF;WUANMKWBLHVQEF-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161381;MM161381;CC=C(C)C(C)C(C)=O;JREXONVOTZQSLT-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161382;MM161382;CC(=O)C(C)C(C)=CF;OWWSLFAXPWTJFN-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161383;MM161383;CC=C(C)C(C)C(=N)N;GEFJUUSVUGNZEV-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161384;MM161384;CC(=CF)C(C)C(=N)N;AHZAHZKQFAMGLL-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161385;MM161385;C=CCc1cn(C)c(O)n1;QLJIZPRQKYXKRB-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161386;MM161386;CC=C(C)C(C)C(=O)O;WKNDOKOXDLGPLL-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161387;MM161387;CC(=CF)C(C)C(=O)O;QWORCVOIAMUNTN-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161388;MM161388;C=C(F)C(C)C(C)=CF;IEDDKWXIWVYTOQ-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161389;MM161389;C=C(C)C(C)C(F)=CC;XQUFBAPRWNIWQS-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161390;MM161390;CC=C(F)C(C)C(C)=O;DQWNHMRNMFDGMC-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161391;MM161391;CC(=O)C(C)C(F)=CF;ZMYBUIYDLIHRLQ-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161392;MM161392;CC(C(=N)N)C(F)=CF;RJGQDINIKIRJMN-UHFFFAOYSA-N;134.13;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161393;MM161393;CC=C(F)C(C)C(N)=O;UQEGHQKGSCGZGS-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161394;MM161394;CC(C(=O)O)C(F)=CF;BLBGXABKSXLGJQ-UHFFFAOYSA-N;136.1;1.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161395;MM161395;C=C(F)C(C)C(F)=CC;ZISZGFUPEHZNJK-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161396;MM161396;C=C(C)C(N)C(C)=CC;SOEQISGRDWXRJX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161397;MM161397;C=C(C)C(N)C(C)=CF;QZHMIUXSIJUHLZ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161398;MM161398;CC=C(C)C(O)C(C)=O;AKUMEUHXDDRELB-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161399;MM161399;CC=C(C)C(O)C(=N)N;ZSMVFGIMSAWKSY-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161400;MM161400;CC=C(C)C(O)C(N)=O;WNOAWMXMLRGBLJ-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161401;MM161401;CCc1oc(=O)n(C)c1O;LHBKUZIKHRXAQJ-UHFFFAOYSA-N;143.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161402;MM161402;CC=C(F)C(O)C(=N)N;WIHUYHSIVFZHDO-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161403;MM161403;N=C(N)C(O)C(F)=CF;AKNHPOMEMYKVLX-UHFFFAOYSA-N;136.1;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161404;MM161404;NC(=O)C(O)C(F)=CF;YPGQWPYVKPENSL-UHFFFAOYSA-N;137.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161405;MM161405;CC=C(C)C(F)C(C)=O;JNOGJDOBBAIXKP-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161406;MM161406;CC(=O)C(F)C(C)=CF;PMIQQMMUHPZQNU-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161407;MM161407;CC=C(C)C(F)C(=O)O;HEYSMNIIMJNVPT-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161408;MM161408;CC(=CF)C(F)C(=O)O;IBALLCATDAPZPM-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161409;MM161409;NC(=O)C(F)C(F)=CF;BVHBACVVLMZSMI-UHFFFAOYSA-N;139.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161410;MM161410;C=C(C)C(C)C(C)=NN;JUHBQIPJCKPFIG-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161411;MM161411;C=C(C)C(C)C(C)=NO;WKCRHJYQPRBOTR-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161412;MM161412;CC(=NN)C(C)C(=N)N;WBDMJNJEGMIGHH-UHFFFAOYSA-N;128.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161413;MM161413;C=C(F)C(C)C(C)=NN;PZXKIZBDARNEDK-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161414;MM161414;C=C(F)C(C)C(C)=NO;SVTDZRAJXVZSBT-UHFFFAOYSA-N;131.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161415;MM161415;CC(=NN)C(O)C(=N)N;AWEJUKVLMZSSQC-UHFFFAOYSA-N;130.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161416;MM161416;CC=C(F)CCC(=O)NN;VJFBFAKEQJLXDC-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161417;MM161417;COC(CO)CC(=O)NN;CMVIQPVBHUWXOI-UHFFFAOYSA-N;148.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161418;MM161418;Cc1cn(O)c(=O)o1;FAEAXQJZQZHNMK-UHFFFAOYSA-N;115.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161419;MM161419;CC=C(C)N(C)C(C)=N;BIVKHIFNTNTNJE-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161420;MM161420;CC(=O)N(C)C(C)=CF;MHFVEHMAQYMXHZ-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161421;MM161421;CC=C(C)N(C)C(=N)N;JBNYQRKKXNMHPX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161422;MM161422;CC=C(C)N(C)C(N)=O;OYWLSAPKMHSWNC-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161423;MM161423;CC(=CF)N(C)C(N)=O;ZIIRWSHFZYYZCW-UHFFFAOYSA-N;132.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161424;MM161424;CC=C(C)N(N)C(C)=N;SKVUCPPHEBEYFL-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161425;MM161425;CC=C(C)N(N)C(C)=O;DXCDRZZYOQGOHC-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161426;MM161426;CC(=O)N(N)C(C)=CF;YZZIMAKNOMFGSW-UHFFFAOYSA-N;132.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161427;MM161427;CC=C(C)N(O)C(C)=N;CDUJBVANOFFKNM-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161428;MM161428;CC(=CF)N(O)C(=N)N;WOJRSZSNECLOGP-UHFFFAOYSA-N;133.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161429;MM161429;C=C(C)N(C)C(C)=NC;QRPINEVKBAAVNK-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161430;MM161430;C=C(C)N(C)C(C)=NN;BCIGZIONNBWTJX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161431;MM161431;CN=C(C)N(C)C(C)=N;RTQSYUKUKIIERD-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161432;MM161432;CN=C(C)N(C)C(=N)N;VUWPYKAZTHWVQH-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161433;MM161433;C=CC(O)C(=O)N(N)C=C;UVFYXZUFRPMVEY-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161434;MM161434;CN=C(C)N(N)C(=N)N;OLIRASKXFWGSHL-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161435;MM161435;CC(=NN)N(N)C(=N)N;QQABNWOQWJRBSK-UHFFFAOYSA-N;130.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161436;MM161436;CCCOC(C)C(=O)NN;QZRVLAQNZCCGMN-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161437;MM161437;CON=CC(O)C(F)CO;XMJLCSGFPJZWCY-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161438;MM161438;CN=C(C)N(O)C(=N)N;BMFUADMYEJCNFZ-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161439;MM161439;CC(=NN)N(O)C(=N)N;IERXYNBHGVCZNC-UHFFFAOYSA-N;131.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161440;MM161440;C=C(C(C)=CC)C(C)C;MOXDERDGCVXNJW-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161441;MM161441;C=C(C(C)=CF)C(C)C;MCVRPDZSDNCEMI-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161442;MM161442;C=C(C(C)=CC)C(C)N;GHSJWYQAZNGBBN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161443;MM161443;C=CC=NOCC(O)C=O;IBZJVKNSHFNFLA-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161444;MM161444;C=C(C(C)=CC)C(C)F;GMVWKBGRRROZBB-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161445;MM161445;C=C(C(C)=CC)C(F)F;VVYLBIUVPNHHJD-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161446;MM161446;C=C(C(F)=CC)C(C)C;JCPYOFRALVPTGP-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161447;MM161447;C=C(C(F)=CC)C(C)N;GAFWPEMIWUKTMM-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161448;MM161448;C=C(C(F)=CF)C(C)N;OYDMLXOEIDRXHC-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161449;MM161449;C=C(C(F)=CC)C(C)O;JCWALYAPXLTQPU-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161450;MM161450;C=C(C(F)=CC)C(C)F;XSFJGSDZJCEJKW-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161451;MM161451;CC=C(C)C(=O)C(C)C;LFOWWKZXSYJPQT-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161452;MM161452;CC(=CN)C(=O)C(C)C;YGJAFVDTYPZYID-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161453;MM161453;CC(=CF)C(=O)C(C)C;WYDNPQGNYARWLR-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161454;MM161454;CC=C(C)C(=O)C(C)F;JIAVIZXTRMPYAQ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161455;MM161455;CC(=CN)C(=O)C(C)F;PZUNLDJWZRTZSM-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161456;MM161456;CC(=CF)C(=O)C(C)F;WVWVLZQNWTYQMC-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161457;MM161457;CC(C)C(=O)C(F)=CN;HDZRHZYFSRGSSG-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161458;MM161458;CC(F)C(=O)C(F)=CN;KEPFALBRKHADBU-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161459;MM161459;C=C(C(C)=NN)C(C)C;FYGXRMBLUVFNER-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161460;MM161460;C#CC=NOCC(O)C=O;AZXWGWIJJKMPCY-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161461;MM161461;N=c1c(=N)n(O)nnn1O;ODXIPUSAJUGTJR-UHFFFAOYSA-N;144.09;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161462;MM161462;C=C(C(C)=NN)C(C)F;SMSMIWOUSAUJPK-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161463;MM161463;C=C(C(C)=NO)C(C)F;QUCCAHKARHQRIS-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161464;MM161464;O=Cn1nc(O)ccc1=O;SYKDPASNESSROG-UHFFFAOYSA-N;140.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161465;MM161465;CC(=CN)C(=N)N(C)C;DUEZPJFAGNEOFQ-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161466;MM161466;CC(=CN)C(=N)N(C)N;GEWJXPFBLAMQDL-UHFFFAOYSA-N;128.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161467;MM161467;CC(=CN)C(=N)N(C)O;GLYSTFQNTRNETR-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161468;MM161468;CN(C)C(=N)C(F)=CN;CRFPSHMXNPVNIR-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161469;MM161469;NN=CC(O)C(=NN)NN;WDDYELKEFLFMOE-UHFFFAOYSA-N;146.15;-2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161470;MM161470;CC=C(C)C(=O)N(C)N;OVAQDZFIKJNCEO-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161471;MM161471;C#Cc1nc(C=C)c(C)[nH]1;UEBYRWIHWJZFHL-UHFFFAOYSA-N;132.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161472;MM161472;CC(=CN)C(=O)N(C)O;RKOQQDLCPYUKCW-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161473;MM161473;CC=C(F)C(=O)N(C)C;YWTMYHZDVPXDGX-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161474;MM161474;CN(C)C(=O)C(F)=CF;XUVUNCPHAOLCAV-UHFFFAOYSA-N;135.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161475;MM161475;CC=C(F)C(=O)N(C)N;VCCVLMBWANGBQI-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161476;MM161476;CC(=NN)C(=N)N(C)C;HFCFULTVAIBGGT-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161477;MM161477;CC(=NO)C(=O)N(C)C;SGOKUNAISWAJHR-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161478;MM161478;N=c1nc2c(co1)CC2=O;KCEFSFXYPVMIID-UHFFFAOYSA-N;136.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161479;MM161479;C=C(C)C(=C)C(C)=CC;OOSGHAQBUWBEFY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161480;MM161480;C=C(C)C(=C)C(C)=CF;IJTGFOWGESEDCZ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161481;MM161481;C=C(C(C)=O)C(C)=CC;YLAZALJLVPJEEI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161482;MM161482;C=CC1=NNC(=NC)NO1;AIJUYRRJDTUCSP-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161483;MM161483;C=C(F)C(=C)C(C)=CC;YAUORMKTWXRKJO-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161484;MM161484;C=C(C)C(=C)C(F)=CC;WKYWKOUJVUKJEQ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161485;MM161485;C=C(C(C)=O)C(F)=CC;AGEZRJHBVJRKND-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161486;MM161486;C=C(C(=N)N)C(F)=CC;RVTKOAREFXULSQ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161487;MM161487;C=C(C(=N)N)C(F)=CF;KOEDRCWJYDDCLA-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161488;MM161488;NNC1=NN=C(NO)NN1;FRTSRUZOSQAMKX-UHFFFAOYSA-N;145.13;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161489;MM161489;C=C(F)C(=C)C(F)=CF;YSEBJJRWBJLBTF-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161490;MM161490;C=C(C)C(=O)C(C)=CC;NNSFBVCZOHPQEF-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161491;MM161491;C=C(C)C(=O)C(C)=CN;AWLRDKKABHWEBO-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161492;MM161492;C=C(C)C(=O)C(C)=CF;SSSHYJJUHIEDGF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161493;MM161493;CC=C(C)C(=O)C(C)=O;DWQLDECXLHOSBA-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161494;MM161494;CC(=CN)C(=O)C(N)=O;NSOGMLWZLXAZFS-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161495;MM161495;Nc1c(O)n(O)c(=O)n1O;DLBNSNDPDSILQU-UHFFFAOYSA-N;147.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161496;MM161496;C=C(F)C(=O)C(C)=CC;AAFZWLMDOCCFNU-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161497;MM161497;C=C(C)C(=O)C(F)=CC;YPEPIDCFVLZZHD-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161498;MM161498;C=C(C)C(=O)C(F)=CN;PTXZGEMRPIDPGI-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161499;MM161499;NN=CCNNC=O;UHQACGIRNZNVBD-UHFFFAOYSA-N;116.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161500;MM161500;N=C(N)C(=O)C(F)=CF;WPECTCQVKNKUBM-UHFFFAOYSA-N;134.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161501;MM161501;NC=C(F)C(=O)C(N)=O;FLRKWUVXFPUHRO-UHFFFAOYSA-N;132.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161502;MM161502;NC(=O)C(=O)C(F)=CF;WLDVCLMRTLQLCX-UHFFFAOYSA-N;135.07;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161503;MM161503;C=Cn1ncn(O)c1=O;VXDCWSCGEKVZSD-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161504;MM161504;O=C(O)C(=O)C(F)=CF;KQQJLWWGDBYQRL-UHFFFAOYSA-N;136.05;0.42;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161505;MM161505;C=C(C)C(=C)C(C)=NN;BRMQEHBWBBOOBW-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161506;MM161506;NNC(=O)CC1(O)CC1;LDJKAEZTUYVANP-UHFFFAOYSA-N;130.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161507;MM161507;C=C(C(=N)N)C(C)=NN;KYLSKTZGWMVHEX-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161508;MM161508;CC1(CC(=O)NN)CO1;KBOKIKPDYTXCPQ-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161509;MM161509;Cc1c(F)on(O)c1=O;XKSUHCPXFQGJLD-UHFFFAOYSA-N;133.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161510;MM161510;CCC(C)C(C)=C(C)C;KNGBPPKJVGMUOA-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161511;MM161511;CC(C)=C(C)C(C)CN;ODUSGIFVYWGYIS-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161512;MM161512;CC(C)=C(C)C(C)CF;AMNOZSSYADVSAC-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161513;MM161513;CCC(C)C(C)=C(C)F;MYLOHGBWKXDJKS-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161514;MM161514;CC(F)=C(C)C(C)CF;UGVDACNEGWYIGF-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161515;MM161515;CCC(C)C(C)=C(F)F;XVRVVYOEXFGKSJ-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161516;MM161516;CC(=C(F)F)C(C)CF;FQFJUCGLYSQYKY-UHFFFAOYSA-N;138.13;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161517;MM161517;CCC(N)C(C)=C(C)C;LNNCEKREHDXWIT-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161518;MM161518;CCC(N)C(C)=C(C)F;RLKCUHLUZLGCMI-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161519;MM161519;CCC(N)C(C)=C(F)F;WOPZAOWBFYSDEM-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161520;MM161520;CC(=C(F)F)C(N)CN;AJPBZXWERVOVBX-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161521;MM161521;CC(=C(F)F)C(N)CF;FLPLUUBYXMZXLU-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161522;MM161522;C=NOC1C(O)C1(C)O;GAMJZMLDAFOKSN-UHFFFAOYSA-N;131.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161523;MM161523;CC(F)=C(C)C(O)CN;UFWRHDRYZNONHD-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161524;MM161524;CCC(O)C(C)=C(F)F;XMLJKFFWQQRREQ-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161525;MM161525;CC(=C(F)F)C(O)CN;NZQJXYQPSQUUIV-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161526;MM161526;CCC(F)C(C)=C(C)C;JQIKCMYDUWQBBG-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161527;MM161527;CC(C)=C(C)C(F)CN;FZUWHJYDTLKQSC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161528;MM161528;CC(C)=C(C)C(F)CF;RUCGXXBDADAGKJ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161529;MM161529;CCC(F)C(C)=C(C)F;AIBIAQAWWWWQGE-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161530;MM161530;CC(F)=C(C)C(F)CN;QDNXHINJFNVHCF-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161531;MM161531;CC(F)=C(C)C(F)CO;ROPMCYHCANTZKB-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161532;MM161532;CC(=C(F)F)C(F)CN;YRMCOXIODXFMQX-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161533;MM161533;CCC(C)C(F)=C(C)C;YIEYWLGHYMJTDE-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161534;MM161534;CC(C)=C(F)C(C)CF;VZWMAJWGRHLOQM-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161535;MM161535;CCC(C)C(F)=C(C)F;CAUHUUNQLKKWQT-UHFFFAOYSA-N;134.17;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161536;MM161536;CC(F)=C(F)C(C)CN;QBOYCKYFBWNMES-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161537;MM161537;CC(F)=C(F)C(C)CO;XJAXROZMOIAGNL-UHFFFAOYSA-N;136.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161538;MM161538;CCC(C)C(F)=C(F)F;MNISFMXTXSHNBH-UHFFFAOYSA-N;138.13;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161539;MM161539;CC(CN)C(F)=C(F)F;QOJLXCZDGKGMHR-UHFFFAOYSA-N;139.12;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161540;MM161540;CCC(N)C(F)=C(C)C;YPYHDYUTEVSAFF-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161541;MM161541;CC(F)=C(F)C(N)CN;VKEBVKSCEIAUSP-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161542;MM161542;CCC(O)C(F)=C(C)C;ODEMXSOXSSJGAZ-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161543;MM161543;CC(C)=C(F)C(O)CF;FTEUFZJVVMJPMI-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161544;MM161544;CC(F)=C(F)C(O)CN;WTTRKHOUMJAOPV-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161545;MM161545;CCC(F)C(F)=C(C)C;LORHQVPDSWYDPA-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161546;MM161546;COC(C)C(C)=C(C)C;MABNTHHEAOONJJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161547;MM161547;COC(C)C(F)=C(C)C;VXNUHTPJTMZMQR-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161548;MM161548;C=CC(C)C(C)=C(C)C;ISRDFQOFVCZUAU-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161549;MM161549;CC(C)=C(C)C(C)C=O;ZMIGRMWOVKLBPP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161550;MM161550;CC(C)=C(C)C(C)C#N;PTHNYBFIJKIYKA-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161551;MM161551;C=CC(C)C(C)=C(C)F;MVBTXSIJASHADP-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161552;MM161552;CC(F)=C(C)C(C)C#N;OYUYAYRAFDZQHZ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161553;MM161553;CC(=C(F)F)C(C)C=O;RRXCKRINAMELRR-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161554;MM161554;C=CC(N)C(C)=C(C)C;KCPDJKUSYSMUTN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161555;MM161555;C=CC(N)C(C)=C(C)F;PKTFPHRGWRMGMN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161556;MM161556;C=CC(N)C(C)=C(F)F;GAONDHWKUGPGKR-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161557;MM161557;CC(F)C(C)NNC=O;FMADSSURKCRWGG-UHFFFAOYSA-N;134.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161558;MM161558;CC(F)=C(C)C(O)C#N;OLHSDYRUFJAPEP-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161559;MM161559;C=CC(F)C(C)=C(C)C;MVYINXKQGRSBRV-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161560;MM161560;CC(C)=C(C)C(F)C=O;QNLSZNMJDRSZPA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161561;MM161561;C=CC(F)C(C)=C(C)F;XZCVITUUSKCSAZ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161562;MM161562;CC(F)=C(C)C(F)C=O;OSAOQZYYZRWEGC-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161563;MM161563;CC(F)=C(C)C(F)C#N;LLFUPNMSUNATHW-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161564;MM161564;C=CC(F)C(C)=C(F)F;YWWOHXJIBSPJPV-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161565;MM161565;CC(=C(F)F)C(F)C#N;OZFBIOSZTVBLPB-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161566;MM161566;C=CC(C)C(F)=C(C)C;VCOJWMJVMJIXCJ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161567;MM161567;CC(C)=C(F)C(C)C=O;GDEAESXZZXCINY-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161568;MM161568;CC(F)=C(F)C(C)C=O;MTWRXTUJGJKFET-UHFFFAOYSA-N;134.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161569;MM161569;CC(C#N)C(F)=C(F)F;VMQCCGKHMKCRCJ-UHFFFAOYSA-N;135.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161570;MM161570;O=CC(O)C(F)=C(F)F;NENNXNNUSUTHTC-UHFFFAOYSA-N;140.06;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161571;MM161571;CC(C)=C(F)C(F)C=O;CKPDVSVOQASNDO-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161572;MM161572;CC(C)=C(F)C(F)C#N;YOEVLICTMIEGJR-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161573;MM161573;O=CC(F)C(F)=C(F)F;YLIRZKSENPSDAN-UHFFFAOYSA-N;142.05;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161574;MM161574;CC(C)=C(C)N(C)C=N;TZZNFAKUJJDZLW-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161575;MM161575;CC(C)=C(C)N(C)C=O;NLPOBOMFLWCXEG-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161576;MM161576;CC(F)=C(C)N(C)C=N;WIAHPDWAFLFYJI-UHFFFAOYSA-N;130.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161577;MM161577;CC(F)=C(C)N(C)C=O;LKEHXEASSMZIAJ-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161578;MM161578;CC(C)=C(C)N(O)C=N;XMAWGXKZQZYCGT-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161579;MM161579;C#CC(C)C(C)=C(C)C;XELBNEVPGCRIJR-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161580;MM161580;C#CC(C)C(C)=C(C)F;BFMQVWIXBROICZ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161581;MM161581;C#CC(N)C(C)=C(F)F;SDJQMFDZHLTQRK-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161582;MM161582;C#CC(O)C(C)=C(F)F;LZPXEJHVXJJXPK-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161583;MM161583;C#CC(F)C(C)=C(C)C;OZFBENFGHBIGDD-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161584;MM161584;C#CC(F)C(C)=C(F)F;PIBNJRDHKUDYSA-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161585;MM161585;C#CC(C)C(F)=C(C)C;KTTKKDRREPWIDV-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161586;MM161586;C#CC(O)C(F)=C(C)C;SOMAKHIBCDNYAV-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161587;MM161587;C#CC(O)C(F)=C(F)F;WDIPDJVBKZRASE-UHFFFAOYSA-N;136.07;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161588;MM161588;C#CC(F)C(F)=C(C)C;XREQGYMMINAYKM-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161589;MM161589;C=C(CC)C(C)=C(C)C;BMQMFJWKZGZQOW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161590;MM161590;C=C(CN)C(C)=C(C)C;HJBZRXXLEDVFKM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161591;MM161591;C=C(CO)C(C)=C(C)C;VCMFHHFHLYDAHV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161592;MM161592;C=C(CF)C(C)=C(C)C;WZMUULWBKILWNV-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161593;MM161593;C=C(CC)C(C)=C(C)F;CQMGBYYKIARHQR-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161594;MM161594;C=C(CN)C(C)=C(C)F;VGEZBLSOEPEXOT-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161595;MM161595;C=C(CF)C(C)=C(C)F;GQFTWWJBXZJLME-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161596;MM161596;C=C(CC)C(C)=C(F)F;FXECKDSKTHNVJX-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161597;MM161597;C=C(CN)C(C)=C(F)F;NGQFOCINKBTTFZ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161598;MM161598;CCC(=O)C(C)=C(C)C;CDMNXIBTIAFPBU-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161599;MM161599;CCC(=O)C(C)=C(C)N;QONYRYBMMHFZNR-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161600;MM161600;CC(N)=C(C)C(=O)CO;HRMYGQFOFPNVOS-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161601;MM161601;CCC(=O)C(C)=C(C)F;DVYWREAKYDADHE-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161602;MM161602;CC(F)=C(C)C(=O)CF;SFJJYRQCQVTNMS-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161603;MM161603;CCC(=O)C(C)=C(N)N;DXRQHVRGGDQBKN-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161604;MM161604;CC(C(=O)CO)=C(N)N;KNCPQJADISOEHZ-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161605;MM161605;CCC(=O)C(C)=C(F)F;YKHQETDVCKNLAU-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161606;MM161606;CC(C(=O)CO)=C(F)F;BVFJNYGSWJREAU-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161607;MM161607;CC(C(=O)CF)=C(F)F;NONRIUWGLBOXCU-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161608;MM161608;C=C(CC)C(F)=C(C)C;AWDPRQONLACQRY-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161609;MM161609;C=C(CN)C(F)=C(C)C;JYSNBOZHWANATG-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161610;MM161610;C=C(CO)C(F)=C(C)F;AKGQFEYYRQJFNY-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161611;MM161611;C=C(CF)C(F)=C(C)F;LHISFSXTQNIHRI-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161612;MM161612;CCC(=O)C(F)=C(C)C;MJWPGGZZASAAMC-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161613;MM161613;CC(C)=C(F)C(=O)CF;CACOSDZOAWFPIM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161614;MM161614;NC(N)=C(F)C(=O)CO;BOQFEEBNHCKHGQ-UHFFFAOYSA-N;134.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161615;MM161615;NC(N)=C(F)C(=O)CF;IEBXMDNBWDNYHU-UHFFFAOYSA-N;136.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161616;MM161616;CNC(=N)C(C)=C(C)C;TXNKTLNLJMYTGY-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161617;MM161617;CC(C)=C(C)C(=N)NN;BNLAEKYYLYHAII-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161618;MM161618;CC(C)=C(C)C(=N)NO;AHUCYXDNOPOBSB-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161619;MM161619;CNC(=N)C(C)=C(C)F;XUSJUYGPLQAUST-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161620;MM161620;CNC(=N)C(C)=C(N)N;YLGFKTCGLWPGMD-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161621;MM161621;CC(C(=N)NN)=C(N)N;VZAPQFLYEULRCH-UHFFFAOYSA-N;129.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161622;MM161622;CC(C(=N)NO)=C(N)N;ZWECHCUSBYLJAN-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161623;MM161623;CNC(=N)C(C)=C(F)F;USKSBDCDGZTXGM-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161624;MM161624;O=CNNCC1(O)CC1;DBUPSSVHQUWDGR-UHFFFAOYSA-N;130.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161625;MM161625;CC1(CNNC=O)CO1;OSSOVNGDJCQSOO-UHFFFAOYSA-N;130.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161626;MM161626;CC(N)=C(C)C(=O)NO;VOECKEOFVJDYQP-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161627;MM161627;CNC(=O)C(C)=C(C)F;ZLWKQDSYXKXLQG-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161628;MM161628;C=Cc1cn(C)c(O)n1;XHRKSYFWZNHDFO-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161629;MM161629;CNc1ccc(O)n1N;FJDSXSFHKNHGQP-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161630;MM161630;CCC(CF)NNC=O;YLINRWDVLLSJJW-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161631;MM161631;CC(C)=C(F)C(=O)NN;QAMWQPGPLUCGGY-UHFFFAOYSA-N;132.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161632;MM161632;CC(C)=C(F)C(=O)NO;UJEOUPRGMREZOK-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161633;MM161633;CNC(=O)C(F)=C(C)F;WCSWCIBTSBIVIZ-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161634;MM161634;CC(F)=C(F)C(=O)NO;FUMDKNKRGPCCEH-UHFFFAOYSA-N;137.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161635;MM161635;CNC(=O)C(F)=C(F)F;ZRGBXHBMSMPDMV-UHFFFAOYSA-N;139.08;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161636;MM161636;C=C(OC)C(C)=C(C)C;VSIQIWALGNQWRD-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161637;MM161637;C=C(OC)C(C)=C(C)F;FIMARAJTTNSIMF-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161638;MM161638;COC(=O)C(C)=C(C)C;SUXFTQHLBSWETF-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161639;MM161639;COC(=O)C(C)=C(F)F;RPEHURYJTXVXMB-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161640;MM161640;C=C(OC)C(F)=C(C)C;WQJVGBPJABHTEH-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161641;MM161641;C=C(OC)C(F)=C(C)F;XPPCENAEIFPGLS-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161642;MM161642;COC(=O)C(F)=C(C)C;BBMQPDMAENOXPH-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161643;MM161643;C=CC(=C)C(C)=C(C)C;JMDXDGHOQNBTNY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161644;MM161644;C=C(C=O)C(C)=C(C)C;HRHFZRGOKWNOEQ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161645;MM161645;C=C(C#N)C(C)=C(C)C;LOICLTXPJDUOHN-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161646;MM161646;C=CC(=C)C(C)=C(C)F;BYPRQLWSBAMQSQ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161647;MM161647;C=C(C=O)C(C)=C(C)F;ZMPLVMBZCQECEB-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161648;MM161648;C=C(C#N)C(C)=C(C)F;TYZFJQUNQINPKY-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161649;MM161649;C=CC(=C)C(C)=C(F)F;LQKRJCWTEYOHHE-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161650;MM161650;C=C(C#N)C(C)=C(F)F;XECULPRCYRJNLQ-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161651;MM161651;C=CC(=O)C(C)=C(C)N;QKQPCSBQUQVEKH-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161652;MM161652;CC(C(=O)C#N)=C(N)N;RZWUWKFOVLNXKV-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161653;MM161653;C=CC(=O)C(C)=C(F)F;GAWSQHMPJDBGIZ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161654;MM161654;CC(C(=O)C#N)=C(F)F;RFKSDDWOAMYZGO-UHFFFAOYSA-N;131.08;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161655;MM161655;C=CC(=C)C(F)=C(C)C;LAOCXNMFIYCQGV-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161656;MM161656;C=C(C=O)C(F)=C(C)C;JQJHDQLZGNWOHO-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161657;MM161657;C=C(C#N)C(F)=C(C)C;XCGDDQWGIFTTJO-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161658;MM161658;C=C(C=O)C(F)=C(C)F;YECIEJUOMYFKJO-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161659;MM161659;C=C(C#N)C(F)=C(C)F;VCMYVRABEXVXDW-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161660;MM161660;C=CC(=O)C(F)=C(C)C;DDGMHWQLRRDIGG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161661;MM161661;CC(C)=C(F)C(=O)C#N;RQSPIVXDAYJMIQ-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161662;MM161662;C=CC(=O)C(F)=C(C)N;PLKLAUQDGRXURU-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161663;MM161663;O=CC(=O)C(F)=C(F)F;DMVKXLQPBOCFDP-UHFFFAOYSA-N;138.04;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161664;MM161664;C#CC(=C)C(C)=C(C)C;CFKBDIXFKQYCNF-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161665;MM161665;C#CC(=C)C(C)=C(C)F;HJLJAWNBBUUIMT-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161666;MM161666;C#CC(=C)C(C)=C(F)F;MVAQVYIDRKZOJN-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161667;MM161667;C#CC(=O)C(C)=C(C)C;CAPGOOQSJSWHCT-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161668;MM161668;C#CC(=O)C(C)=C(C)F;KVUAYWBXCVVEMA-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161669;MM161669;C#CC(=O)C(C)=C(F)F;OZHYTYHXFOURSQ-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161670;MM161670;C#CC(=C)C(F)=C(C)C;IHQYLJOSXZBBOA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161671;MM161671;C#CC(=C)C(F)=C(C)F;FXERFNUREQRRQU-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161672;MM161672;C#CC(=O)C(F)=C(C)C;HMQKBQNLAVZXGN-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161673;MM161673;CC=C(C)C(C)=C(C)C;WWVDCCOPIOUFOU-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161674;MM161674;CC(=CF)C(C)=C(C)C;SWIUWTBRJZSXML-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161675;MM161675;CC=C(C)C(C)=C(C)F;NIQVSMXJTKUZEG-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161676;MM161676;CC=C(C)C(C)=C(F)F;XOMXITGTYVELHD-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161677;MM161677;CC=C(F)C(C)=C(C)C;NDVKLXZNNBOILE-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161678;MM161678;CC(C)=C(C)C(F)=CF;HCMKUZAXWNGYNM-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161679;MM161679;CC=C(F)C(C)=C(C)F;GWIRVHDQGUCANK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161680;MM161680;CC=C(C)C(F)=C(C)C;STTXDVYMNHPLQS-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161681;MM161681;CC(=CF)C(F)=C(C)C;UYVQVSNTPGKCKQ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161682;MM161682;CC=C(C)C(F)=C(C)F;VEUYQSFPVCQPJR-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161683;MM161683;CC(C)=C(F)C(F)=CF;SGLCMEPNYVLPRT-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161684;MM161684;C#CC(O)C1(CO)CN1;ZPFFWOWKFOQAFI-UHFFFAOYSA-N;127.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161685;MM161685;CC(=NO)C(C)=C(C)F;FADPGYSDEVVQSW-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161686;MM161686;NC(=O)C(O)CN(N)C=O;PRDAZDJPHBHRDX-UHFFFAOYSA-N;147.13;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161687;MM161687;CC(=NN)C(C)=C(F)F;HENXWERJPVEMAO-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161688;MM161688;CC(=NN)C(F)=C(C)C;PMZHLBXWPWDHMF-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161689;MM161689;CCC(C)=C(C)C(C)C;HUTMJYMKXJVQOH-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161690;MM161690;CC(CN)=C(C)C(C)C;SSORSXLCZNGCCN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161691;MM161691;CC(CF)=C(C)C(C)C;LZSSPNYFLSWAEM-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161692;MM161692;CCC(C)=C(C)C(C)N;YAGKYGJIHZDNSG-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161693;MM161693;CC(CF)=C(C)C(C)N;SRKGMXRBHZPIMS-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161694;MM161694;C=NN(C)CC(O)C(N)=O;OKIWBPRRVJPAJC-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161695;MM161695;CC(CO)=C(C)C(C)O;ZGKHRNCVPBTKHZ-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161696;MM161696;CCC(C)=C(C)C(C)F;VSQGAQUPKHWWEH-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161697;MM161697;CC(CN)=C(C)C(C)F;ZFVQVJHLQVUWMG-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161698;MM161698;CC(CO)=C(C)C(C)F;SSNPHVOEQAKGLU-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161699;MM161699;CC(CF)=C(C)C(C)F;FEUWIWNGNVWQEG-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161700;MM161700;CCC(C)=C(C)C(F)F;HHCYJWDYPKWABH-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161701;MM161701;CC(CO)=C(C)C(F)F;COTYCAZYQVDSLU-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161702;MM161702;CC(CF)=C(C)C(F)F;WRPQLHWCUVKBPM-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161703;MM161703;CCC(F)=C(C)C(C)C;NALSWYHRTFFMME-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161704;MM161704;CC(=C(F)CF)C(C)C;BNRMXXKTLRNQMU-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161705;MM161705;CCC(F)=C(C)C(C)N;MKCZTNZLEDXAPZ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161706;MM161706;CC(=C(F)CN)C(C)N;IMERENSRAIVGJK-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161707;MM161707;CCC(F)=C(C)C(C)O;ORGDFONNNPFZCA-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161708;MM161708;CC(=C(F)CO)C(C)O;DRZUUGNUDSBMAJ-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161709;MM161709;CC(=C(F)CF)C(C)O;GNABZGDGGPZTBX-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161710;MM161710;CCC(C)=C(F)C(C)C;PPFBNTGDZSHZGR-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161711;MM161711;CC(CN)=C(F)C(C)C;KTJPNHZDVKZIFY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161712;MM161712;CC(CO)=C(F)C(C)C;VOCZQTFLZJASGO-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161713;MM161713;CC(CF)=C(F)C(C)C;VLWNFYSHYPTEFS-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161714;MM161714;CCC(C)=C(F)C(C)O;PJJFXHFESCAAND-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161715;MM161715;CC(CF)=C(F)C(C)O;KGMCQQNYFWNRFY-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161716;MM161716;CC(CN)=C(F)C(C)F;UCWYGLQWRSPAGK-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161717;MM161717;CC(CF)=C(F)C(C)F;DUNFYEYXNQACRD-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161718;MM161718;CC(CO)=C(F)C(F)F;PIEDZROEPFCPSM-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161719;MM161719;CC(CF)=C(F)C(F)F;JPEGQFUELCXRJN-UHFFFAOYSA-N;142.1;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161720;MM161720;CC(O)C(F)=C(F)CO;FVBZGKWXXZYZMS-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161721;MM161721;OCC(F)=C(F)C(F)F;HXPFGUQXYVPRQY-UHFFFAOYSA-N;144.07;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161722;MM161722;COC(C)=C(C)C(C)C;IXBVANVZBOYVCE-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161723;MM161723;COC(C)=C(F)C(C)C;KYWNPPYIIBAAHS-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161724;MM161724;COC(C)=C(F)C(C)O;FDXLGBXWTYBZFA-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161725;MM161725;COC(C)=C(F)C(C)F;ASYNMCJLLFQRON-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161726;MM161726;C=CC(C)=C(C)C(C)C;MPIJALSWQVJGOS-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161727;MM161727;CC(C=O)=C(C)C(C)C;LVYSUPYRZJALKT-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161728;MM161728;CC(C#N)=C(C)C(C)C;LGZSEZFCCBCIQZ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161729;MM161729;C=CC(C)=C(C)C(C)N;XTEWMLHNAPQIJK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161730;MM161730;CC(CO)CNNC(N)=O;MPNXTQQNZUOBQK-UHFFFAOYSA-N;147.18;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161731;MM161731;CC(C#N)=C(C)C(C)O;IYTUTRBCCNSESE-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161732;MM161732;CC(C=O)=C(C)C(C)F;CYAYHONELNDNAN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161733;MM161733;CC(C#N)=C(C)C(C)F;OQNXZILTQRDBST-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161734;MM161734;CC(C=O)=C(C)C(F)F;WYNHOXFFIRBRAX-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161735;MM161735;C=CC(F)=C(C)C(C)C;DJJHLTSMHDDIFU-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161736;MM161736;CC(=C(F)C=O)C(C)C;XHVZLPVWXOPCMS-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161737;MM161737;CC(=C(F)C#N)C(C)C;BRAMYVNUSWBFOR-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161738;MM161738;C=CC(F)=C(C)C(C)O;XTVAIBCCUJAWDS-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161739;MM161739;C=CC(F)=C(C)C(C)F;ZRFWLOJWRSVXKX-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161740;MM161740;CC(=C(F)C#N)C(F)F;QKCMVGFAUBJJAM-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161741;MM161741;CC(C=O)=C(N)C(C)C;YFUFDSFQCSFNSN-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161742;MM161742;CC(C#N)=C(N)C(C)C;KPQBEAFNJBPQTC-UHFFFAOYSA-N;124.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161743;MM161743;C=CC(=O)NN(C)CCO;ULMJRZDHKDNTRK-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161744;MM161744;CC(C=O)=C(N)C(C)F;GJWXJTAQENGRMU-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161745;MM161745;CC(C#N)=C(N)C(C)F;BNWKCVBFZXUWJT-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161746;MM161746;CC(F)C(N)=C(F)C=O;NBHCCPSNKGDJQC-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161747;MM161747;N#CC(F)=C(N)C(F)F;ZFYCDFBUSUPPDU-UHFFFAOYSA-N;136.08;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161748;MM161748;C=CC(C)=C(F)C(C)C;WSUSTMOOMGYMDG-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161749;MM161749;CC(C=O)=C(F)C(C)C;FNVDZLUTXFOJQD-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161750;MM161750;CC(C#N)=C(F)C(C)C;PHSIAIDPVNLBJR-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161751;MM161751;CC(C#N)=C(F)C(C)O;XPCQBUBWACOUTE-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161752;MM161752;C=CC(C)=C(F)C(C)F;QCJKNORJYLOXDT-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161753;MM161753;CC(C=O)=C(F)C(C)F;YOUIQZBSFDVFOL-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161754;MM161754;CC(C#N)=C(F)C(F)F;LIFRSMRZLJSCOO-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161755;MM161755;C=CC(F)=C(F)C(C)O;SSDUFZXGTGLRIN-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161756;MM161756;CC(O)C(F)=C(F)C#N;LTPMLDSGIAREJT-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161757;MM161757;CC(C=O)=C(C)N(C)C;XHYQKMLORYYFJN-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161758;MM161758;CC(C#N)=C(C)N(C)C;GMULHXFIVXSRGW-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161759;MM161759;CC(=C(F)C=O)N(C)C;JOUSLIHCBMPZNV-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161760;MM161760;CC(=C(F)C#N)N(C)C;YEYNVUZYNKCIHS-UHFFFAOYSA-N;128.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161761;MM161761;CC(C=O)=C(N)N(C)C;KCTWJGWXWHGXBK-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161762;MM161762;C#CC(C)=C(C)C(C)C;ILFJWOSCGUEIFW-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161763;MM161763;C#CC(C)=C(C)C(C)N;RUOSAFHWNGSJCX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161764;MM161764;C=C(CCF)C(=O)NNC;GVICYUGHRMFWBW-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161765;MM161765;C#CC(C)=C(C)C(C)F;MRBRGUQQOXVQQF-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161766;MM161766;C#CC(C)=C(C)C(F)F;HXXXAOWOXDRNBB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161767;MM161767;C#CC(F)=C(C)C(C)C;KHWNUQHQEVQQCA-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161768;MM161768;C#CC(F)=C(C)C(C)N;RQAMERLSDFYNDW-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161769;MM161769;C#CC(F)=C(C)C(C)O;PLBGNFSZUOUQIC-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161770;MM161770;C#CC(F)=C(C)C(C)F;AUEABXRPTIFEQP-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161771;MM161771;C#CC(F)=C(C)C(F)F;SKTPNFXFCRWSQN-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161772;MM161772;C#CC(C)=C(F)C(C)C;HLBQYPIKYOLLFQ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161773;MM161773;C#CC(C)=C(F)C(C)O;VZTMDZUTLQZEMP-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161774;MM161774;C#CC(F)=C(F)C(C)O;XFACWDIPPAPGDI-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161775;MM161775;C=C(C)C(C)=C(C)CC;BMHKTXOQSBIRMI-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161776;MM161776;C=C(C)C(C)=C(C)CN;ZVIXSHWZGDNKFN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161777;MM161777;C=C(C)C(C)=C(C)CF;OLVMQQVOCSPETR-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161778;MM161778;CCC(C)=C(C)C(C)=O;WRHRFVOAEDXVPC-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161779;MM161779;CCC(C)=C(C)C(=N)N;RALMMSFQSIAZJM-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161780;MM161780;CC(CN)=C(C)C(=N)N;SHKGVMCUHHYTBD-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161781;MM161781;C=NNC(=N)C(O)C=NN;MNMDTVIVUSRKFM-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161782;MM161782;CC(CN)=C(C)C(N)=O;GIFKBYXIHMCLLT-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161783;MM161783;CC(O)C(O)C(=NN)NN;HFKOTWDWXQGCDQ-UHFFFAOYSA-N;148.17;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161784;MM161784;CCC(C)=C(C)C(=O)O;URRYFCLLPGIYQS-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161785;MM161785;C=C(F)C(C)=C(C)CC;GSFCWFRXOOPEHN-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161786;MM161786;C=C(F)C(C)=C(C)CN;XJAOFDWPTMKMJA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161787;MM161787;C=C(F)C(C)=C(C)CF;ZBVUWUFJDBFHMQ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161788;MM161788;CCC(N)=C(C)C(C)=O;ILOAFVBLUSQNSK-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161789;MM161789;CCC(N)=C(C)C(=N)N;KUTWXXVEFNHNTF-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161790;MM161790;CC(C(=N)N)=C(N)CN;VSDBZQNBWVUPQZ-UHFFFAOYSA-N;128.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161791;MM161791;CC(C(=N)N)=C(N)CO;CRYPEUGCIMDIMU-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161792;MM161792;CC(C(N)=O)=C(N)CN;UOGZIWOKTLHOIU-UHFFFAOYSA-N;129.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161793;MM161793;CC(C(N)=O)=C(N)CO;XDVVCZYYCQHHAU-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161794;MM161794;Nc1cn(O)c(=O)nc1O;LYRCKUCZLQQNRP-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161795;MM161795;O=CC(C=O)NC(=O)NO;HMIKGAYBWBXYKR-UHFFFAOYSA-N;146.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161796;MM161796;C=C(C)C(C)=C(F)CC;LTSMZIGDTGKLEV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161797;MM161797;CCC(F)=C(C)C(C)=O;GMXMMITXMHTPSH-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161798;MM161798;CC(=O)C(C)=C(F)CF;BVSKXTVPGKRIQQ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161799;MM161799;CCC(F)=C(C)C(=N)N;OJAZHVSKPRJUSL-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161800;MM161800;CC(C(=N)N)=C(F)CN;SXDHJEOBYLMIRY-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161801;MM161801;C=C(C)C(=O)CNNC=O;HRRWVMMFQDONBH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161802;MM161802;CCC(F)=C(C)C(=O)O;DOVQYUIBXYXYMH-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161803;MM161803;CC(C(=O)O)=C(F)CF;WVVUQYBBGVAKKY-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161804;MM161804;C=C(F)C(C)=C(F)CC;RPBPDZFGYSSOIY-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161805;MM161805;C=C(C)C(F)=C(C)CC;SACQZXRGDUTCMM-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161806;MM161806;C=C(C)C(F)=C(C)CN;SUMWRQTUICSOEH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161807;MM161807;C=C(C)C(F)=C(C)CF;FSTCACYGHGWPRT-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161808;MM161808;CC(=O)C(F)=C(C)CF;IGYGLGWHKJBLHB-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161809;MM161809;CCC(C)=C(F)C(N)=O;WOMWFYITVSXZAL-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161810;MM161810;CCC(C)=C(F)C(=O)O;ZISMJRBSWOLTFI-UHFFFAOYSA-N;132.13;1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161811;MM161811;CC(CF)=C(F)C(=O)O;KONXZBMNFWYTDZ-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161812;MM161812;C=C(F)C(F)=C(C)CC;ZMVZVEUJDLQEPM-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161813;MM161813;C=C(F)C(F)=C(C)CN;UYLKOULVTVGYIK-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161814;MM161814;C=C(F)C(F)=C(C)CO;COTQBMXFESPKNT-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161815;MM161815;C=C(F)C(F)=C(C)CF;YXLNQKOKWPHHLX-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161816;MM161816;CCC(N)=C(F)C(C)=O;RRTQTTASQGOXTL-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161817;MM161817;CCc1nc(=O)n(O)[nH]1;CKCJUPHRNBCSOR-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP5";;;;;;;-1.11;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161818;MM161818;C=C(C)C(F)=C(F)CC;WQBZGMHQRORRBQ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161819;MM161819;CCC(F)=C(F)C(C)=O;GXVVYLGZLNPNLC-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161820;MM161820;NC(=O)C(F)=C(F)CF;RIKCWZXFELXVGC-UHFFFAOYSA-N;139.08;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161821;MM161821;CNC(C)=C(C)C(C)=O;IQFPUQBLTHPLAN-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161822;MM161822;C=C(F)C(O)COC=NN;OIMQHBMSYIZSIS-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161823;MM161823;Cn1c(=N)nnn(O)c1=O;GCZSUWLMYOVHEU-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161824;MM161824;CNC(N)=C(C)C(=N)N;VXLMJEHIISNPGV-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161825;MM161825;C#CC1(O)C=CC(=NN)C1;FPTQUSPYLKDXCP-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161826;MM161826;CNC(C)=C(F)C(C)=O;WWALGZJZQZCBLV-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161827;MM161827;C=C(C)C(C)=C(C)OC;AKKVMGZFXYZZQH-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161828;MM161828;C#CC(C)N(C)C(=O)NN;NGXRQLRCFFJRDT-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161829;MM161829;C=C(F)C(C)=C(C)OC;XHNXBBAVHGNPBK-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161830;MM161830;COC(N)=C(C)C(=N)N;LHZXQQWZPXDACL-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161831;MM161831;C=C(CF)C(=C)C(=O)NN;QGGJNMAEBQCHFF-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161832;MM161832;C=C(C)C(F)=C(C)OC;AZUFIPBKMAPHTC-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161833;MM161833;N=c1nnc(N)cc(=O)[nH]1;CXXBRUHSFJLVFK-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161834;MM161834;C=C(F)C(F)=C(C)OC;ZLDVAGBEEXTBAQ-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161835;MM161835;O=c1nc(CO)n(O)n1O;LJSFSTFSVKVSQN-UHFFFAOYSA-N;147.09;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161836;MM161836;C=CC(C)=C(C)C(=C)C;RRBZWKRHFADWJB-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161837;MM161837;C=C(C)C(C)=C(C)C=O;OIQZCVQOWNJMBF-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161838;MM161838;C=C(C)C(C)=C(C)C#N;AKWHZCAUVZXJHC-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161839;MM161839;C=CC(C)=C(C)C(C)=O;KHFZSTHLFCAWBM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161840;MM161840;CC(=O)C(C)=C(C)C=O;JOIPXRIQHWMPFU-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161841;MM161841;CC(=O)C(C)=C(C)C#N;SMGQYTZYDJJFBP-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161842;MM161842;C=CC(C)=C(C)C(=N)N;UGXJRDVYZMJFGS-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161843;MM161843;CC(C=O)=C(C)C(=N)N;ALWJJHVPKQYENS-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161844;MM161844;CC(C#N)=C(C)C(=N)N;HSNKQSAWEVRRKJ-UHFFFAOYSA-N;123.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161845;MM161845;C=C(C=O)C(C)NNC=O;QTKCVSKPJXHFEB-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161846;MM161846;CN(C=N)C(=O)NCC#N;BNPABBJFYSEOMT-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161847;MM161847;NNC(=O)CCOCCO;YPEQXUJUOPBIME-UHFFFAOYSA-N;148.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161848;MM161848;C=CC(C)=C(C)C(=O)O;QNJWNAKIEAEKMQ-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161849;MM161849;O=C(C=CF)C(CO)=NO;PWBAOWNVSKLWTR-UHFFFAOYSA-N;147.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161850;MM161850;CC(C#N)=C(C)C(=O)O;FUPCECPABRGZDT-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161851;MM161851;C=CC(C)=C(C)C(=C)F;ZRTCIYCPLGRHLT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161852;MM161852;C=C(F)C(C)=C(C)C=O;LOTFAYIHAYIOQK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161853;MM161853;C=C(F)C(C)=C(C)C#N;LUIZTSHGUHJQOG-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161854;MM161854;C=CC(N)=C(C)C(C)=O;VFAAWMUQRYBDLD-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161855;MM161855;CC(C(=N)N)=C(N)C=O;RBOHBKFHFAAXSU-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161856;MM161856;CC(C(=N)N)=C(N)C#N;YMIMMCQCQFSPGJ-UHFFFAOYSA-N;124.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161857;MM161857;COC=CCOC(=O)NN;OTFFGDIXHSSJTH-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161858;MM161858;C#CC(=O)NNC=NC=N;SCWJJNYFMVFZOX-UHFFFAOYSA-N;138.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161859;MM161859;CC(C(N)=O)=C(N)C#N;GQHSUUQIAOPRIC-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161860;MM161860;Cn1cnc(=N)n(O)c1=O;NVHJDXOMGKRXFZ-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161861;MM161861;C=CC(F)=C(C)C(=C)C;VQYDSTQAIHLSSJ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161862;MM161862;C=C(C)C(C)=C(F)C=O;PLFWLXGUYRZNTG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161863;MM161863;C=C(C)C(C)=C(F)C#N;FEAFKZNCLDJWEB-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161864;MM161864;CC(C(=N)N)=C(F)C#N;YTROVYPZVGUWQZ-UHFFFAOYSA-N;127.12;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161865;MM161865;C=CC(CC=O)NNC=O;RXPWWAJIDKEVKB-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161866;MM161866;CC(C(N)=O)=C(F)C#N;JUDKPMUFYKLFMP-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161867;MM161867;C=CC(F)=C(C)C(=O)O;GTRQDVXNHPBGOG-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161868;MM161868;C=CC(F)=C(C)C(=C)F;MJEKGQZTEBCLNK-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161869;MM161869;C=C(F)C(C)=C(F)C#N;GDYSXFNMQBBHKV-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161870;MM161870;CC(=O)C(N)=C(C)C=O;PEHNBMNEBBMODN-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161871;MM161871;CC=Cc1c[nH]c(CF)n1;LOGONGIMHJKEFO-UHFFFAOYSA-N;140.16;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161872;MM161872;COCOCC(C=O)=NO;JXHUNNDUSSZEBR-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161873;MM161873;C=C(F)C(N)=C(C)C#N;BRJOUKFQZSAIQB-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161874;MM161874;CC(=O)C(N)=C(N)C=O;MYINQROIIZLBEJ-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161875;MM161875;N=C(N)C(N)=C(N)C=O;ZDKFGYYDLVDPQL-UHFFFAOYSA-N;128.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161876;MM161876;N#CC(N)=C(N)C(=N)N;SHHVHNYFSQRUNO-UHFFFAOYSA-N;125.14;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161877;MM161877;C#CC1=CC(ON=C)C=C1;XLSDYVQDXGXZJN-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161878;MM161878;N#Cc1cnn(O)c1F;YYQWEIZUFYXWOR-UHFFFAOYSA-N;127.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161879;MM161879;C=C(F)C(N)=C(F)C=O;ODMVNBWZUXJUQN-UHFFFAOYSA-N;133.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161880;MM161880;C=C(F)C(N)=C(F)C#N;KKMOJHZHOYDBMU-UHFFFAOYSA-N;130.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161881;MM161881;C=CC(C)=C(F)C(=C)C;QPQKZBCFVBDMRF-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161882;MM161882;C=C(C)C(F)=C(C)C=O;YJUCLDNPFZSPJK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161883;MM161883;C=C(C)C(F)=C(C)C#N;HGGONSFQDYTATN-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161884;MM161884;C=CC(C)=C(F)C(C)=O;LMTGMHHPHRKLKZ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161885;MM161885;CC(=O)C(F)=C(C)C=O;MNKATFJNAULUHM-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161886;MM161886;CC(=O)C(F)=C(C)C#N;UZXPQMMFDGDQBO-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161887;MM161887;C=C(F)C(F)=C(C)C#N;ONOCOPBPAFKEBT-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161888;MM161888;C=CC(N)=C(F)C(C)=O;XREQHIVIDKGUQJ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161889;MM161889;NC(=O)C(F)=C(N)C=O;OAMDCPJPQRPWDG-UHFFFAOYSA-N;132.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161890;MM161890;O=c1o[nH]oc1=O;HOPSQDGYSKKEHU-UHFFFAOYSA-N;103.03;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161891;MM161891;C=CC(F)=C(F)C(=C)C;QWRQNDPCNCIAHU-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161892;MM161892;C=C(C)C(F)=C(F)C=O;YFAXSVMCCQAVHK-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161893;MM161893;C=C(C)C(F)=C(F)C#N;XSCQITDEKOHECV-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161894;MM161894;CC(=O)C(F)=C(F)C=O;RUVYTSFQRXWMIG-UHFFFAOYSA-N;134.08;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161895;MM161895;NC(=O)C(F)=C(F)C=O;SPDJXSMOMRYOTA-UHFFFAOYSA-N;135.07;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161896;MM161896;C=CC(F)=C(F)C(=O)O;BXXKHOGJIKYZOW-UHFFFAOYSA-N;134.08;1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161897;MM161897;C#CC(C)=C(C)C(=C)C;VMRPJEQVZFZCEI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161898;MM161898;C#CC(C)=C(C)C(C)=O;ORVCGBHQQTXSJN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161899;MM161899;C#CC(C)=C(C)C(=N)N;JXRQHDOFWMTNLR-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161900;MM161900;C#CC(C)=C(C)C(=O)O;TYWBSCOEGMZXST-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161901;MM161901;C#CC(C)=C(C)C(=C)F;HWMHUSKRVHVZHS-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161902;MM161902;C#CC(N)=C(C)C(=N)N;SSVXSVPEMPCLMA-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161903;MM161903;C#CC(F)=C(C)C(=C)C;HSEDYJAVISTRRP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161904;MM161904;C#CC(F)=C(C)C(C)=O;QDNGPPQOQPTOJR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161905;MM161905;C#CC(F)=C(C)C(=N)N;YZTPBZILDWOWRJ-UHFFFAOYSA-N;126.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161906;MM161906;C#CC(F)=C(C)C(=C)F;SATOMURDVHEIQT-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161907;MM161907;C#CC(C)=C(F)C(=C)C;FLAHATCSTSXYFM-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161908;MM161908;C#CC(C)=C(F)C(C)=O;NKCCKDOQPWHDHP-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161909;MM161909;C#CC(C)=C(F)C(=O)O;TXTHWHPGMBBLBU-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161910;MM161910;C#CC(F)=C(F)C(=C)C;HRSWRQVOFLTRJR-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161911;MM161911;CCCCC(C)C(C)C;WBRFDUJXCLCKPX-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161912;MM161912;CC(C)C(C)CCCN;HTQJGGGPLKSZKR-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161913;MM161913;CC(C)C(C)CCCO;QABJATQYUASJEM-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161914;MM161914;CC(C)C(C)CCCF;CRYBLTMAYQRASY-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161915;MM161915;CCCCC(C)C(C)N;GTWRKGOLLREWJB-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161916;MM161916;CC(N)C(C)CCCF;LFXLNCKDKUBOGP-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161917;MM161917;N#CCc1cnn(C=N)c1;WLRVLBVQAKTYMT-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161918;MM161918;CC(O)C(C)CCCN;DCTHKAIOLCXVIN-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161919;MM161919;C=NNC1CC1C(=O)NN;LXNKTFBUZSEDTD-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161920;MM161920;C=CC(=NO)N1C(C)C1C;JSAWINWRVBTWMS-UHFFFAOYSA-N;140.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161921;MM161921;CCCCC(C)C(C)F;TXHNTEGUHBLAOO-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161922;MM161922;CC(F)C(C)CCCN;ZILROSPHRUZEER-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161923;MM161923;CC(F)C(C)CCCO;YPNBEGNTYFKNRI-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161924;MM161924;CC(F)C(C)CCCF;FLLBFDXHPNGNAU-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161925;MM161925;CC(CCCN)C(F)F;KKVMDNUGHOWEFC-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161926;MM161926;CC(CCCF)C(F)F;HOMCDQDXQZTHBH-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161927;MM161927;CCCCC(N)C(C)C;WXTMKAIMGVITMT-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161928;MM161928;CC(C)C(N)CCCF;OORCDVJKNDKUNT-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161929;MM161929;CCCCC(N)C(C)N;DJNAPPJTQCZQAP-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161930;MM161930;CC(N)C(N)CCCN;QOSDOSMMNTWGOV-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161931;MM161931;CC(N)C(N)CCCO;JVKTVEPLHJAROC-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161932;MM161932;CCCCC(N)C(C)O;NZNMGQIZVLTFIQ-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161933;MM161933;CC(O)C(N)CCCN;DHSVPVCGGPTBCP-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161934;MM161934;CCCCC(N)C(C)F;XRCFCNHJDSVUFE-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161935;MM161935;NCCCC(N)C(F)F;PUAMHXQPUKPWSJ-UHFFFAOYSA-N;138.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161936;MM161936;C=CCC#CCNNC=O;VRCDPHXFEBUBLZ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161937;MM161937;CC(C)C(O)CCCO;ARBBSOILKXUDJE-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161938;MM161938;CC(C)C(O)CCCF;WGXLTCMNXPIWPL-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161939;MM161939;CCCCC(O)C(C)N;MMMLPDNJYOPBDC-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161940;MM161940;CCCCC(O)C(C)O;VUVZASHBYYMLRC-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161941;MM161941;CC(O)C(O)CCCO;XAQMOASESLUBBN-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161942;MM161942;CC(C)C(F)CCCN;CFTGENMVWCOCTI-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161943;MM161943;CC(C)C(F)CCCO;YZSYWPUPQISGHF-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161944;MM161944;CC(C)C(F)CCCF;BLJZNEMQJFPMLZ-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161945;MM161945;CC(O)C(F)CCCF;MHFRIVWQAJGDOS-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161946;MM161946;CC(F)C(F)CCCN;XRVOOXCZGXDSKQ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161947;MM161947;CC(F)C(F)CCCF;VGEBDWOKWHFFED-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161948;MM161948;NCCCC(F)C(F)F;JTSJEMRYZMWVHJ-UHFFFAOYSA-N;141.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161949;MM161949;CNCCC(C)C(C)C;LFCGKDYLNDNPCR-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161950;MM161950;CNCCC(C)C(C)F;DCOPCMDOQFSIJB-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161951;MM161951;CNCCC(C)C(F)F;ZQEUTWAFAIKMLU-UHFFFAOYSA-N;137.17;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161952;MM161952;CNCCC(N)C(C)N;PERDZVFOASQXJF-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161953;MM161953;CNCCC(N)C(C)O;VGZICBJQQKHSKU-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161954;MM161954;CNCCC(N)C(F)F;POYCWCSNFLBKLV-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161955;MM161955;CNCCC(O)C(C)O;DGGRCEYFTVNTMV-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161956;MM161956;CNCCC(F)C(C)C;MVLTTXCIILQORX-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161957;MM161957;CNCCC(F)C(C)F;GCLIQEKLLFSEOT-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161958;MM161958;CNCCC(F)C(F)F;FRXGYKRIEMUKPZ-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161959;MM161959;COCCC(C)C(C)C;RPPGNNWOIPITHN-UHFFFAOYSA-N;130.23;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161960;MM161960;COCCC(C)C(C)N;SZLWHQCKQWZROC-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161961;MM161961;COCCC(C)C(C)O;HWEPYWUMFPWKBQ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161962;MM161962;COCCC(O)C(C)C;DKPHCKMCUOOYCS-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161963;MM161963;COCCC(O)C(C)N;QBNPUYGIEZZWNA-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161964;MM161964;COCCC(O)C(C)O;OUQJXNOBCRLHEN-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161965;MM161965;CCNCC(C)C(C)C;NSCGQZDPLZGLCN-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161966;MM161966;CCNCC(C)C(C)O;QPHFGCYBDOYKIP-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161967;MM161967;CCNCC(C)C(C)F;ZSEUKZIFCCAYHD-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161968;MM161968;CCNCC(C)C(F)F;TYNMUIWHOWAHOO-UHFFFAOYSA-N;137.17;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161969;MM161969;CCNCC(N)C(C)N;SLLLZQYGOSDMRZ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161970;MM161970;CCNCC(N)C(C)O;ODQRKBYVHXUGSX-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161971;MM161971;CCNCC(N)C(F)F;FYWMNMHIEGZBKA-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161972;MM161972;CCNCC(O)C(C)C;ULHFUTBTDSJNOM-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161973;MM161973;CCNCC(O)C(C)O;VXUSHWLPKXMUGZ-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161974;MM161974;CCNCC(F)C(C)C;ITIRGZAKPAGGOS-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161975;MM161975;CCNCC(F)C(C)O;LJNPROWYXNCPAP-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161976;MM161976;CCNCC(F)C(C)F;ALHSOYSRAFIRFD-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161977;MM161977;CCOCC(C)C(C)C;UHXNILLEFOHZMK-UHFFFAOYSA-N;130.23;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161978;MM161978;CCOCC(C)C(C)N;YVOFIRRSQZXREY-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161979;MM161979;CCOCC(C)C(C)O;XSRLUMGWTFDJDZ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161980;MM161980;CCOCC(N)C(C)C;UTZIPLPSCHINQD-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161981;MM161981;CCOCC(N)C(C)N;YPSJCGJOGLMTDN-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161982;MM161982;CCOCC(N)C(C)O;AKMRNZOIQWSGRW-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161983;MM161983;CCOCC(O)C(C)C;RYPQYENBXSEERY-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161984;MM161984;CCOCC(O)C(C)N;YJKPFTMXPRDIES-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161985;MM161985;CCOCC(O)C(F)F;FAFFJWBLWAHMRS-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161986;MM161986;CCCNC(C)C(C)C;FUUDGATULFIMIN-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161987;MM161987;CC(C)C(C)NCCF;RWLPEUQXYAKYGR-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161988;MM161988;CC(N)C(C)NCCO;GNFAFICJRPMXKZ-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161989;MM161989;CC(N)C(C)NCCF;JYZMHGWOYIMSPP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161990;MM161990;CCCNC(C)C(C)O;AGCVGLMUNYEEOA-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161991;MM161991;CC(O)C(C)NCCN;OZGCZJCMYSEROS-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161992;MM161992;CC(O)C(C)NCCO;NCKKWXMKWXAECD-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161993;MM161993;CCCNC(C)C(C)F;FWLLFKYBYURUTE-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161994;MM161994;CC(NCCN)C(F)F;CRJFMGUBTVWYPP-UHFFFAOYSA-N;138.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161995;MM161995;CC(NCCF)C(F)F;TXLMQXLXRKUQGK-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161996;MM161996;CCCOC(C)C(C)C;ZTOYKBCDBOCNOM-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161997;MM161997;CC(C)C(C)OCCN;CCJHXUAFIZMYCH-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161998;MM161998;CC(C)C(C)OCCO;WRTKHNLMAISKJO-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM161999;MM161999;CC(C)C(C)OCCF;JODZYOHBKMZGIE-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162000;MM162000;CCCOC(C)C(C)N;ILLDIDQXEYSWQG-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162001;MM162001;CC(N)C(C)OCCN;QRFUQWSAIRQWDV-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162002;MM162002;CC(N)C(C)OCCO;YWZORFHJVFPQLY-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162003;MM162003;CC(O)C(C)OCCN;HCRFVAHNVCGYQC-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162004;MM162004;CC(OCCO)C(F)F;TYSUMMXGJJYICS-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162005;MM162005;COCOC(C)C(C)N;LHZNSLSKLOZJPR-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162006;MM162006;CCCCC(C)N(C)C;QMQRPFWKJWNKCJ-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162007;MM162007;CC(CCCN)N(C)C;QJETWFGYLOCWRI-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162008;MM162008;CC(CCCO)N(C)C;MKMBKPHWIYQOKM-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162009;MM162009;COCCC(C)N(C)C;BKGKWFFONAZQFD-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162010;MM162010;CCNCC(C)N(C)C;QQAGUPBUHWNTOF-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162011;MM162011;CCOCC(C)N(C)C;LGWLLSPQEPLYMU-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162012;MM162012;CCCCN(C)C(C)C;KKBDINYFLTTZAQ-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162013;MM162013;CC(C)N(C)CCCF;VBRVNCJDNCCDGJ-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162014;MM162014;CNCCN(C)C(C)C;PBYBJQLUZSVFQL-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162015;MM162015;C=CCCC(C)C(C)C;FNHUIKVAXPPHGK-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162016;MM162016;CC(C)C(C)CCC=O;WHBVBEDTSHAMHP-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162017;MM162017;CC(C)C(C)CCC#N;LBBPKFCHDSOZQS-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162018;MM162018;C=CCCC(C)C(C)N;NPUVNPGGXMMCGY-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162019;MM162019;Cn1cc(N)nc1O;UQTVCDMAFPZUJY-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162020;MM162020;Cc1c(N)ncn1O;FELXXDQSLCKUDQ-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162021;MM162021;C=CCCC(C)C(C)F;CKYNEIKBKQFJKF-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162022;MM162022;CC(F)C(C)CCC#N;AJGVLZBKLAIDJT-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162023;MM162023;C=CCCC(C)C(F)F;QLLKGFZVEOUNTK-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162024;MM162024;C=CCCC(N)C(C)C;GPMJCSSJMGQHPS-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162025;MM162025;C=CCCC(N)C(C)F;WXJVXFXSAHLFDV-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162026;MM162026;CN(C=NN)NC(N)=O;XHRVJRYXUBVWOW-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162027;MM162027;C=CCCC(F)C(C)C;JJMKBWKWQBDECW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162028;MM162028;CC(C)C(F)CCC=O;JUYPAGNAKMEBCT-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162029;MM162029;C=CCCC(F)C(C)N;PKAYQDKZFZIAEV-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162030;MM162030;C=CCCC(F)C(C)F;ODVOHAIBVZWGQZ-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162031;MM162031;CC(F)C(F)CCC=O;UGFZHPHJNFWETE-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162032;MM162032;CC(C)C(C)CNC=N;CZVVXOJJZCDXAT-UHFFFAOYSA-N;128.22;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162033;MM162033;NN1CC(F)(F)CC1=O;IYCSDUGBEKOWIE-UHFFFAOYSA-N;136.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162034;MM162034;CC(F)C(C)CNC=N;LBKMYVTWRBBGFQ-UHFFFAOYSA-N;132.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162035;MM162035;CCC#CCC(=O)NN;FJVZVOWGUYUEML-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162036;MM162036;CC(CNC=N)C(F)F;AVWAHKZYIHANIH-UHFFFAOYSA-N;136.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162037;MM162037;CC(N)C(N)CNC=N;JKHFAOSBWFRZNH-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162038;MM162038;CC(N)C(N)CNC=O;IZVLSCHQGCMJCG-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162039;MM162039;CC(O)C(N)CNC=N;NGQVLNQYHZZYIX-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162040;MM162040;CC(O)C(N)CNC=O;IJUDSEZKQJHMLC-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162041;MM162041;CC(N)C(O)CNC=N;JELKTFINPUSRRZ-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162042;MM162042;CC(N)C(O)CNC=O;HJMZBSNPZIJHDA-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162043;MM162043;CC(O)C(O)CNC=N;BNQOZOCQIGWINX-UHFFFAOYSA-N;132.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162044;MM162044;N=CNCC(O)C(F)F;XTZKPHYIWAKHCB-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162045;MM162045;CC(C)C(F)CNC=N;FTGUGNAWURBQBE-UHFFFAOYSA-N;132.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162046;MM162046;C=C(CO)C(=O)NNC;VPPNFMNSTSMQJN-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162047;MM162047;CC(N)C(F)CNC=O;FDBAKDSHADLYCV-UHFFFAOYSA-N;134.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162048;MM162048;C=NNCC(N)C(C)N;VMJNYFUJRGUOLS-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162049;MM162049;C=NNCC(N)C(C)O;KYYUREIGDNAPRA-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162050;MM162050;C=NNC1CC1(O)C=O;CCKWHVXNPCGRKD-UHFFFAOYSA-N;128.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162051;MM162051;C=NNCC(O)C(C)N;OKDBFCWJWZVXES-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162052;MM162052;CC1OC1CC(=O)NN;XUFPSSXLVQWQBQ-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162053;MM162053;Cn1cnc(CC#N)c1;AKRPAXQMAVWPSU-UHFFFAOYSA-N;121.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162054;MM162054;C=COCC(C)C(C)C;AZAHAWCVJMWZNP-UHFFFAOYSA-N;128.22;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162055;MM162055;CC(C)C(C)COC=O;ZGBOVITWXLVZGX-UHFFFAOYSA-N;130.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162056;MM162056;C=COCC(C)C(C)N;QHPFVLYGESLLGG-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162057;MM162057;CC(N)C(C)COC=O;ATISFFHFQYDVPI-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162058;MM162058;C=COCC(C)C(C)O;CUVIUFLJUCGSRK-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162059;MM162059;C=COCC(C)C(C)F;AHRHTTCNXYNJIG-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162060;MM162060;CC(F)C(C)COC=O;CSBMDFQVWXBQDH-UHFFFAOYSA-N;134.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162061;MM162061;CC(COC=O)C(F)F;BGTVWSDNWKDURR-UHFFFAOYSA-N;138.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162062;MM162062;C=COCC(N)C(C)C;LEDLGSHGTUQINC-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162063;MM162063;CC(C)C(N)COC=O;MJLWRAPURZCFPR-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162064;MM162064;CC(N)C(N)COC=O;YXIZJZMBKMXWEP-UHFFFAOYSA-N;132.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162065;MM162065;CC(O)C(N)COC=O;FHIAYSLVIAUSGR-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162066;MM162066;C=COCC(O)C(C)C;LWCGDJXDDFYECN-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162067;MM162067;CC(N)C(O)COC=O;ROROWOYTZOMKLA-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162068;MM162068;C=COCC(O)C(F)F;XGERBQWDLBEVTA-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162069;MM162069;C=COCC(F)C(C)C;KSRIDHSRHDRZFP-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162070;MM162070;CC(C)C(F)COC=O;YURPWTZUGNVZJS-UHFFFAOYSA-N;134.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162071;MM162071;CC(F)C(F)COC=O;WAODHQPCMXWEBC-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162072;MM162072;C=NOCC(C)C(C)C;NWJJQRFOMBEXDS-UHFFFAOYSA-N;129.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162073;MM162073;CC1CC1NNC(N)=O;WAFUFURBPWNLKL-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162074;MM162074;C=NOCC(C)C(C)F;IRBUOWWUHRLXBT-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162075;MM162075;C=NOCC(N)C(C)O;SBRULKMLTWQENN-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162076;MM162076;C=NOCC(O)C(C)N;UTSQDTSJNNADHK-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162077;MM162077;O=CC1(O)CC2CN2C1;NSHNPVBBIVJRMN-UHFFFAOYSA-N;127.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162078;MM162078;C=CCNC(C)C(C)C;INTSRAIZKCVXDU-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162079;MM162079;CC(C)C(C)NCC=O;CKPNNVFSZZDDOC-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162080;MM162080;C=CCNC(C)C(C)N;WMTJXLZIYFNEGF-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162081;MM162081;C=CCNC(C)C(C)F;SLSBNLHYFINDAF-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162082;MM162082;CC(N)C(C)NNC=N;WGWCGRQNQOWAGP-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162083;MM162083;CC(N)C(C)NNC=O;OORULPQIPWFIAE-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162084;MM162084;CC(O)C(C)NNC=N;VJVZSHTUKJINQA-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162085;MM162085;C=Cc1nc(OC)c[nH]1;VVXCJGGQXXHUNR-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162086;MM162086;CC(F)C(C)NNC=N;PZSIONLXTFYLET-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162087;MM162087;CC(C=CF)=CC(=O)NN;USBFLIQCHFDKJM-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162088;MM162088;CC(NNC=O)C(F)F;KVKPEWITIXZBLM-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162089;MM162089;C=CCOC(C)C(C)C;QZDVDGITOTUPSF-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162090;MM162090;CC(C)C(C)OCC#N;VZGGUIXGAIJHTR-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162091;MM162091;C=CCOC(C)C(C)O;QOAYFYPQHYXZCQ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162092;MM162092;CC(O)C(C)OCC=O;PLVZUDWABXMIGU-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162093;MM162093;CC(OCC#N)C(F)F;JWXUEBQYKPTHCF-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162094;MM162094;CC(N)C(C)ONC=N;IYRSTDGNSHDQSX-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162095;MM162095;CC(O)C(C)ONC=O;NNGOWNCGGSOEKD-UHFFFAOYSA-N;133.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162096;MM162096;C=CCCC(C)N(C)C;BRKAYGXGFFOOBT-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162097;MM162097;CC(CCC=O)N(C)C;ANPSMBUAOGCZDW-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162098;MM162098;C=COCC(C)N(C)C;GSJPJQFAFWMNRP-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162099;MM162099;C=CCCN(C)C(C)C;NKNAMTARIKKASW-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162100;MM162100;CC(C)N(C)CCC=O;NMMXSPFNQAGJNH-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162101;MM162101;C#CCCC(C)C(C)C;OQMNJJHEPBTRIH-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162102;MM162102;C#CCCC(C)C(C)N;DTFYZOTXHVVBCB-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162103;MM162103;CC=NN=CNNC(N)=O;LGZNQXCPUDJRTC-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162104;MM162104;C#CCCC(C)C(C)F;KAPOKANPNUJCRQ-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162105;MM162105;C#CCCC(N)C(C)C;FVVNMIKVRDRIKO-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162106;MM162106;C#CCCC(N)C(C)N;ZJSQTVOHCLWYRI-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162107;MM162107;C#CCCC(N)C(C)F;ABKPXJFTQIPEIW-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162108;MM162108;C#CCCC(O)C(C)O;YMMATQSPICDJPE-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162109;MM162109;C#CCNC(C)C(C)C;BSAQIPMTLGTROK-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162110;MM162110;C#CCNC(C)C(C)O;AGFLCEKQYCRIQJ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162111;MM162111;C#CCNC(C)C(F)F;KWHNPGGLWXWUNI-UHFFFAOYSA-N;133.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162112;MM162112;C#CCOC(C)C(C)C;NWSBFUPKNXWQRT-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162113;MM162113;C#CCOC(C)C(C)F;UAWOCCRVHOBCKL-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162114;MM162114;C#CCCC(C)N(C)C;UHSDPICSLYHXBS-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162115;MM162115;C#CCCN(C)C(C)C;WUYQTUYQGFDELL-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162116;MM162116;C=C(C)C(C)CCCC;SLLOKCQHVCZGEA-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162117;MM162117;C=C(C)C(C)CCCN;BCVLCPMZGMKQBZ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162118;MM162118;C=CCC(=O)CNNC=O;XZAOIRGMRMXZNQ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162119;MM162119;C=C(C)C(C)CCCF;DUGMXKQWTAWTJS-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162120;MM162120;CCCCC(C)C(C)=O;UHRZLJZZZDOHEX-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162121;MM162121;C=CNC(=O)NNC=NN;CQYFTBPHCJDKHF-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162122;MM162122;CC(=O)C(C)CCCF;ZJUNKIFNVLAGAQ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162123;MM162123;CCCCC(C)C(=N)N;XUVDAXRVEHTYIH-UHFFFAOYSA-N;128.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162124;MM162124;CC(CCCN)C(=N)N;PLQZEDCKUIFJPG-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162125;MM162125;CCC(C)(C=O)NNC=O;VXFGXWIVDSYQEP-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162126;MM162126;C#CC1NC1C(C)(O)C=O;GQWRDJZGSYEPED-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162127;MM162127;CCCCC(C)C(=O)O;CVKMFSAVYPAZTQ-UHFFFAOYSA-N;130.19;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162128;MM162128;C=C(F)C(C)CCCC;KCJMWPYFKXNILC-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162129;MM162129;C=C(F)C(C)CCCN;DISICNTZTQXBHJ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162130;MM162130;C=C(C)C(N)CCCC;PDSZTPXECILRHJ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162131;MM162131;C=C(C)C(N)CCCO;WOCOTWLAVNMFOO-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162132;MM162132;N=C(N)C(N)CCCN;QICNZRGMOBZIRV-UHFFFAOYSA-N;130.2;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162133;MM162133;N=C(N)C(N)CCCO;KACHPHQBFDHXFN-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162134;MM162134;NCCCC(N)C(N)=O;OERRZAJTKPMGBB-UHFFFAOYSA-N;131.18;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162135;MM162135;C=C(F)C(N)CCCC;LOUPLUUZRHZSLH-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162136;MM162136;C#CC(=C)C(C)C(=O)NN;MUBZYMFMZJUOKQ-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162137;MM162137;C=C(C)C(O)CCCO;VGHPWUOREZZOPW-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162138;MM162138;N=C(N)C(O)CCCN;HTXHTQVAHGTEEQ-UHFFFAOYSA-N;131.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162139;MM162139;CCCCC(O)C(N)=O;PWIXYTPZGNDAMG-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162140;MM162140;C=C(C)C(F)CCCN;RVJWWOYWDMFZBJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162141;MM162141;C=C(C)C(F)CCCF;KFGUJOJYOUUKDB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162142;MM162142;CCCCC(F)C(C)=O;ANCPETUIOVZOBQ-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162143;MM162143;CCCCC(F)C(N)=O;GCKYPACATOQNTJ-UHFFFAOYSA-N;133.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162144;MM162144;CCCCC(F)C(=O)O;CDWPBSAPAJJTHA-UHFFFAOYSA-N;134.15;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162145;MM162145;C=C(F)C(F)CCCN;XXECWBRWVCKJMS-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162146;MM162146;C=C(C)C(C)CCNC;SNWDUEKJHJRTEH-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162147;MM162147;CNCCC(C)C(N)=O;RTHNACCYKPDRQN-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162148;MM162148;CNCCC(F)C(C)=O;OYOAACPEVJABAC-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162149;MM162149;C=C(C)C(C)CCOC;ONRMNBGNIZJPIU-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162150;MM162150;COCCC(C)C(C)=O;DJXGEGKKQFVEFN-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162151;MM162151;COCCC(O)C(=N)N;JBNSTESSLNPZMT-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162152;MM162152;COCCC(O)C(N)=O;LAVFYFVNRPEIGU-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162153;MM162153;C=C(C)C(C)CNCC;HQUXTPSKFKTRPY-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162154;MM162154;CCNCC(C)C(C)=O;ZCBOGZYTLAVGLT-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162155;MM162155;CCNCC(C)C(=N)N;XDBJKPXSKQULGW-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162156;MM162156;CCNCC(C)C(N)=O;NPVDKBSFDXRZAR-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162157;MM162157;C=C(F)C(C)CNCC;LCYCTFLTBQNZDD-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162158;MM162158;CCNCC(N)C(=N)N;HCNLJYXNLSXQDJ-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162159;MM162159;CCNCC(O)C(=N)N;UXSKZAYWXOGHNZ-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162160;MM162160;C=C(C)C(F)CNCC;CMCYIHOGWCBQOU-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162161;MM162161;C=C(F)C(F)CNCC;VJMONRNUIGFDEX-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162162;MM162162;C=C(C)C(C)COCC;NTYSYZIDEZPERK-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162163;MM162163;CCOCC(C)C(C)=O;BOGLVAGLPMMONF-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162164;MM162164;C=C(F)C(C)COCC;NCEQNJFEULCSQN-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162165;MM162165;C=C(C)C(N)COCC;KFBMTNBMPKLJDV-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162166;MM162166;CCOCC(N)C(=N)N;BKGUTKSRIAFVEG-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162167;MM162167;C=C(C)C(O)COCC;RLFWQHRVAHYBQI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162168;MM162168;CCOCC(O)C(=N)N;RZBYFXOFZXLHMA-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162169;MM162169;CCOCC(O)C(N)=O;XJVAJYNFCZTRJH-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162170;MM162170;C=C(F)C(O)COCC;ZWGXXMCAEDSWKX-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162171;MM162171;C=C(C)C(C)NCCC;BVRVJHFUGQGMKA-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162172;MM162172;C=C(C)C(C)NCCF;VFKSZRDZBRCUNL-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162173;MM162173;CCCNC(C)C(C)=O;JFKBIQPBUBKNGD-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162174;MM162174;CCCNC(C)C(=N)N;ACQBNERKRDGXSI-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162175;MM162175;CC(NCCN)C(=N)N;QSMRQJQYUFFHPP-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162176;MM162176;CC(NCCO)C(=N)N;UQLPTNCYEGTZKI-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162177;MM162177;CC(NCCF)C(=N)N;ZKLNYNXKWDEVGA-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162178;MM162178;CCCNC(C)C(N)=O;RJCSCBNYSOVYEY-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162179;MM162179;CC(NCCN)C(N)=O;ATQMJHBWRLYQNG-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162180;MM162180;C=C(C)C(C)OCCC;OFEMETHRIRBYBS-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162181;MM162181;C=C(C)C(C)OCCN;JMSFKHAURHFCLU-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162182;MM162182;C=C(C)C(C)OCCO;ZWECZLNXLRXEKP-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162183;MM162183;C=C(C)C(C)OCCF;WDVGXNTZLNWIEG-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162184;MM162184;CCCOC(C)C(C)=O;VWIWMIYPDMFKJY-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162185;MM162185;CCCOC(C)C(=N)N;VRXOJRXWXFHAOJ-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162186;MM162186;CC(OCCN)C(=N)N;PQBFLGXJGRHOIA-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162187;MM162187;CC(OCCF)C(=N)N;HCKRGQAPPIWZQN-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162188;MM162188;CCCOC(C)C(N)=O;LTPKMXPFUISZCY-UHFFFAOYSA-N;131.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162189;MM162189;CC(OCCN)C(N)=O;YIGSYBXMINBEAN-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162190;MM162190;C=CCOC(C#N)C=NO;BGXRWUNUWCAWAE-UHFFFAOYSA-N;140.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162191;MM162191;C=C(F)C(C)OCCC;XARSCEQWRVMQPP-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162192;MM162192;C=C(F)C(C)OCCN;WLTUFEGERUBWOB-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162193;MM162193;C=C(F)C(C)OCCO;AJNBUCHKLBEZQF-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162194;MM162194;C=C(C)C(C)OCOC;MHUSSHWHYZHNGF-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162195;MM162195;N=c1cnn(N)c(=O)n1O;OKYWOMIAGXLYSF-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162196;MM162196;CCCCN(C)C(C)=N;BTDPLIFUTGRWCA-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162197;MM162197;CCCCN(C)C(C)=O;MBRADLLFMJDSSQ-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162198;MM162198;CC(=O)N(C)CCCN;PEMHCPZCFJGAEL-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162199;MM162199;CC(=O)N(C)CCCO;XUMAHCXQZSOGML-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162200;MM162200;CN(CCCO)C(=N)N;NEENMDBDBFLIKV-UHFFFAOYSA-N;131.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162201;MM162201;CN(CCCF)C(=N)N;RPJJBMGTHFQAOD-UHFFFAOYSA-N;133.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162202;MM162202;CN(CCCN)C(N)=O;JJGSYLQNZREVMC-UHFFFAOYSA-N;131.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162203;MM162203;CN(CCCO)C(N)=O;SUIQNGHWFBAQAM-UHFFFAOYSA-N;132.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162204;MM162204;N=C(NNC=O)OC=NN;XOSWVXFWOHZZND-UHFFFAOYSA-N;145.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162205;MM162205;N=C(N)N(N)CCCO;IFZGDBQHOSLQAI-UHFFFAOYSA-N;132.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162206;MM162206;CC(=N)N(O)CCCO;DPMGDJUFYOKJIV-UHFFFAOYSA-N;132.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162207;MM162207;N=C(N)N(O)CCCN;RWYMCLVNZQJWMS-UHFFFAOYSA-N;132.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162208;MM162208;N=C(N)N(O)CCCO;SHNCJQWHPNZNBV-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162209;MM162209;NCCCN(O)C(N)=O;KOVYGQXQZJOCLE-UHFFFAOYSA-N;133.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162210;MM162210;NC(=O)N(O)CCCO;HMZZSBQLJIJMNF-UHFFFAOYSA-N;134.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162211;MM162211;NC(=O)N(O)CCCF;DZLBDVIEFGROSI-UHFFFAOYSA-N;136.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162212;MM162212;CNCCN(C)C(=N)N;BDRJJHUJIGGDSK-UHFFFAOYSA-N;130.2;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162213;MM162213;CNCCN(C)C(N)=O;IFKBYEBQRAYEPY-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162214;MM162214;CNCCN(N)C(C)=N;FHVPKSRUXJCXJX-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162215;MM162215;CNCCN(N)C(C)=O;GYDPVUFXQJQBBN-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162216;MM162216;CNCCN(N)C(=N)N;VVCDMSXITWBJIQ-UHFFFAOYSA-N;131.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162217;MM162217;CNCCN(N)C(N)=O;LJOMMAVDALVCRZ-UHFFFAOYSA-N;132.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162218;MM162218;CNCCN(O)C(C)=N;JEJJHQPVDGVTLL-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162219;MM162219;CNCCN(O)C(=N)N;RSNYMTNVAKXBPB-UHFFFAOYSA-N;132.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162220;MM162220;CNCCN(O)C(N)=O;KDEMULPGHXPNFC-UHFFFAOYSA-N;133.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162221;MM162221;COCCN(C)C(=N)N;ATFPWPQJUULRLD-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162222;MM162222;COCCN(N)C(=N)N;KYDHLHIHRZRXQH-UHFFFAOYSA-N;132.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162223;MM162223;CC(C=CC=O)NNC=O;LJDSXEKFLDDLBU-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162224;MM162224;COCCN(O)C(=N)N;NXALGFZOLWFLJX-UHFFFAOYSA-N;133.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162225;MM162225;COCCN(O)C(N)=O;RUVZODAFHPNRMP-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162226;MM162226;CCCNN(C)C(C)=N;IKZUEERWVALJDW-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162227;MM162227;CC(=O)N(C)NCCF;WMZZMACSEUWLCF-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162228;MM162228;CN(NCCN)C(=N)N;RQNZEFMFFTVAKZ-UHFFFAOYSA-N;131.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162229;MM162229;CN(NCCO)C(=N)N;IIYLXLXARCYTFL-UHFFFAOYSA-N;132.17;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162230;MM162230;CNN=CC(O)C(O)CF;PCOKUBVFGMTDJR-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162231;MM162231;CC=NNC1CC1(O)C=O;CYMKFMLNIACRGS-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162232;MM162232;CC(=N)N(C)OCCO;SGAZFNIPPHCFJR-UHFFFAOYSA-N;132.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162233;MM162233;CCCON(C)C(C)=O;ZRAMUSFVNGJBMZ-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162234;MM162234;CC(=O)N(C)OCCN;GSFJBZZOOMBREZ-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162235;MM162235;CC(=O)N(C)OCCO;VXDCHPUQCFDRGB-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162236;MM162236;CN(OCCN)C(=N)N;OVRQPCBAWIFYLU-UHFFFAOYSA-N;132.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162237;MM162237;CN(OCCO)C(=N)N;ZCWDIRYRFXFPRB-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162238;MM162238;CN(OCCN)C(N)=O;DSIMBJLVIIRTGH-UHFFFAOYSA-N;133.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162239;MM162239;COCON(C)C(C)=N;CXKTXQHJWCRJTO-UHFFFAOYSA-N;132.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162240;MM162240;COCON(C)C(C)=O;STZLCYFYNKTJAW-UHFFFAOYSA-N;133.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162241;MM162241;C=CCCC(C)C(=C)C;UOGLLRVWORZWBP-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162242;MM162242;C=C(C)C(C)CCC=O;PWVIWIMUUUVMJV-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162243;MM162243;C=C(C)C(C)CCC#N;UBPOWYVLESAKBY-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162244;MM162244;CC(=O)C(C)CCC=O;BRNUDGMZFMXHNV-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162245;MM162245;C#CCN(CC)C(=O)NN;YQQZUHVBMRBBLN-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162246;MM162246;COc1cc(O)n(C)n1;KUSZKLVYFJQKSK-UHFFFAOYSA-N;128.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162247;MM162247;C=CCCC(C)C(=C)F;SDDRPJRZRSAJGV-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162248;MM162248;C=C(F)C(C)CCC=O;VCBLWURAJLAMMV-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162249;MM162249;C=C(F)C(C)CCC#N;CITPPYOTZGVNOE-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162250;MM162250;C=CCCC(N)C(=C)C;AUVMBCKZFJRZJB-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162251;MM162251;C=CCCC(N)C(N)=O;QVXKBULBXVYMBT-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162252;MM162252;C=C(C)C(O)CCC#N;FFMBFGQISVVLCE-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162253;MM162253;Cc1nn(C)c(O)c1F;DNLCWSOYCNWHFO-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162254;MM162254;C=C(C)C(F)CCC#N;FGPONYIBHVHPRF-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162255;MM162255;CC(=O)C(F)CCC=O;SBDWKJKSQSCZCI-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162256;MM162256;C=CCCC(F)C(N)=O;YEDJPXFFBPXRSU-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162257;MM162257;C=CCCC(F)C(=O)O;MKZFORZVKKSHPO-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162258;MM162258;NN=c1[nH]n(N)c(=O)n1N;HXFPAKSMXIHZIW-UHFFFAOYSA-N;145.13;-3.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162259;MM162259;C=C(C)C(C)CNC=N;OCFKWWYBKRKYFS-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162260;MM162260;C=Cc1cc(CC#N)[nH]n1;LJUWFNYUEOYKMC-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162261;MM162261;CC(CNC=N)C(=N)N;OXRFDWSBEGIMDB-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162262;MM162262;CC(CNC=O)C(=N)N;ITWNFFYMCWHGIK-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162263;MM162263;C=C(C)C(N)CNC=N;AJZSSZNHRZSHHJ-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162264;MM162264;C=C(C)C(N)CNC=O;XZGYFAKWGSUKIO-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162265;MM162265;N=CNCC(N)C(=N)N;FYWQLJOBQUHDEW-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162266;MM162266;N=C(N)C(N)CNC=O;BVXIUAVKSDMCJU-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162267;MM162267;C=C(C)C(O)CNC=N;PGMNSQGEQKIMQA-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162268;MM162268;C=C(C)C(O)CNC=O;GLZYLVFIFDCRIW-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162269;MM162269;CC(=O)C(O)CNC=O;SKFZFNRLQDRIEE-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162270;MM162270;N=CNCC(O)C(=N)N;PFRJQKGTFZONHB-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162271;MM162271;N=C(N)C(O)CNC=O;FWAAEQIDJOMLNY-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162272;MM162272;NC(=O)C(O)CNC=O;XQAGFKNXYFFRRP-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162273;MM162273;C=Cc1n[nH]c(O)c1N;MYQDZXFFZODZAW-UHFFFAOYSA-N;125.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162274;MM162274;C=C(F)C(O)CNC=N;KTDMZILEYOEOLM-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162275;MM162275;CC#CC1=CC(=NN)CO1;INMGAKISRMPRRK-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162276;MM162276;NC(=O)C(F)CNC=O;VUGYKPXVSWZXJO-UHFFFAOYSA-N;134.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162277;MM162277;C=NNCC(N)C(=C)C;NXWGIRILZIHCTB-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162278;MM162278;C=NNCC(N)C(=N)N;FZXVAGMESZFWTD-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162279;MM162279;CCn1cnc(CC#N)c1;OWHSQIUTBTWAET-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162280;MM162280;C=NNCC(O)C(=N)N;YWFCQANSORSLAL-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162281;MM162281;O=CNNCCO;XBMPZLNHQPUKFE-UHFFFAOYSA-N;104.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162282;MM162282;C=C1CN(N)C(=O)N1;WSKOQXGJVCOZQV-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162283;MM162283;CN=c1[nH]c(O)c(O)o1;OYZLZZNPIYPLKT-UHFFFAOYSA-N;130.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162284;MM162284;C=COCC(C)C(=C)C;FYFWAZQHDOOWFL-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162285;MM162285;C=C(C)C(C)COC=O;WVPSXDHZLVYGSH-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162286;MM162286;C=COCC(C)C(C)=O;LQVWGGPUTJMTJF-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162287;MM162287;CC(COC=O)C(=N)N;ORNRFFDQHHUYJE-UHFFFAOYSA-N;130.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162288;MM162288;C=COCC(N)C(=C)C;WGBFFFBBGZULCC-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162289;MM162289;C=COCC(N)C(=N)N;WKVYRHWDRZAPRK-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162290;MM162290;N=C(N)C(N)COC=O;KDDYSPWBSMTWIM-UHFFFAOYSA-N;131.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162291;MM162291;C=C(C)C(O)COC=O;WHHRVMPAWXNLDP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162292;MM162292;CC(=O)C(O)COC=O;LBSSYBCTIQUHCE-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162293;MM162293;C=COCC(O)C(=N)N;PNBYPFZURNIGMC-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162294;MM162294;N=C(N)C(O)COC=O;ABQHKPZOZVPDOA-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162295;MM162295;C=COCC(O)C(N)=O;VAYIBNDTPJCQPC-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162296;MM162296;NC(=O)C(O)COC=O;FKKUINKKJXCXIE-UHFFFAOYSA-N;133.1;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162297;MM162297;Nc1c(O)[nH]c(=O)oc1=O;OIKOVQNSBACLMT-UHFFFAOYSA-N;144.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162298;MM162298;C=COCC(O)C(=C)F;JSZQBIXNSXMARO-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162299;MM162299;C=C(C)C(F)COC=O;VEJOZQPXNMNOFF-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162300;MM162300;C=COCC(F)C(C)=O;SPSFDLIUHNKWLK-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162301;MM162301;C=COCC(F)C(N)=O;KMLXBOMTCAAZPK-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162302;MM162302;NC(=O)C(F)COC=O;WEZRHVHGCPSLPZ-UHFFFAOYSA-N;135.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162303;MM162303;C=C(F)C(F)COC=O;FLNUUBRJBOLYIR-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162304;MM162304;C=NOCC(C)C(=C)C;ZNOKQCCKVLIKGL-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162305;MM162305;C=NOCC(N)C(=N)N;WGHOGCYLMSZXPV-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162306;MM162306;C=CC(O)C(=O)N(C)N;YXYCABKPWRCPLY-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162307;MM162307;C=NOCC(O)C(=N)N;XFQJAAKOEDQNST-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162308;MM162308;NC=C(CO)C(=O)NN;NWMJPSSGIFLLJD-UHFFFAOYSA-N;131.14;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162309;MM162309;CCc1cn(O)c(=O)o1;SCJWQXBCKGZZQT-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162310;MM162310;C=CCNC(C)C(=C)C;VZKJMPAMYHIBKZ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162311;MM162311;C=C(C)C(C)NCC#N;SKZYUTBROFENMX-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162312;MM162312;CC(NCC=O)C(=N)N;PLHQCNMTNFQSRB-UHFFFAOYSA-N;129.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162313;MM162313;Cc1cn(O)c(=O)nc1F;ICIBOGZNPZNNEA-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162314;MM162314;C#CC1=CC(=NN)CO1;GWTHEQSCEFZEIX-UHFFFAOYSA-N;122.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162315;MM162315;C=C(C)C(C)NNC=N;AWYPWTNGWAVMDM-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162316;MM162316;C=C(F)C(N)C(F)(F)CO;YYKWBHYBSSWHLZ-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162317;MM162317;CC(NNC=N)C(=N)N;NCYUQNVHFIFBJD-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162318;MM162318;CC(NNC=O)C(=N)N;BVTWVBIZTHVGJL-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162319;MM162319;C=CCOC(C)C(=C)C;YVGMJLGZZVZSHR-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162320;MM162320;C=C(C)C(C)OCC=O;ZMAWRRJNJWFPGQ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162321;MM162321;C=C(C)C(C)OCC#N;SDJYMJQAKYJZFC-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162322;MM162322;C=CCOC(C)C(C)=O;UCLLDHQDARRJSH-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162323;MM162323;CC(OCC=O)C(=N)N;HURJJFRJDYTGDR-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162324;MM162324;CC(OCC#N)C(=N)N;GJDMBSTZIIVSLO-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162325;MM162325;CC(OCC=O)C(N)=O;QFUXRCGDGYVXAX-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162326;MM162326;C=C(C)n1ncn(O)c1=O;ICCPNTNJFKKQBF-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162327;MM162327;C=CCOC(C)C(=C)F;YIZMHOURYOASFG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162328;MM162328;C=C(F)C(C)OCC#N;DBSCCIQPBHCVNB-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162329;MM162329;CC(ONC=O)C(=N)N;IHORNVUQABEDHB-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162330;MM162330;CC(C)(CO)OC(=O)NN;MGKLPLDDWJQUCX-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162331;MM162331;CN(CCC=O)C(=N)N;HLYBICMMXJJKPH-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162332;MM162332;N=C(N)N(O)CCC=O;TZZCODXTXFKGPK-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162333;MM162333;NC(=O)N(O)CCC=O;JVGWWYMRCQHPGN-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162334;MM162334;C=CCNN(C)C(C)=N;SUSOKAJGYILFBM-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162335;MM162335;C=CCNN(C)C(C)=O;GIDLMDXREVDYKZ-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162336;MM162336;CN(NCC=O)C(=N)N;OMVAOKIGHOMXMI-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162337;MM162337;CN(NCC#N)C(=N)N;RFTQMKNGPSRUDL-UHFFFAOYSA-N;127.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162338;MM162338;CC(=O)NNCCC(C)F;BFDNESAIHDIZMC-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162339;MM162339;CC(=O)N(C)OCC#N;OVHRQXTXVCIIQJ-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162340;MM162340;CN(OCC=O)C(=N)N;IASYOXLBWBKXAN-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162341;MM162341;CN(OCC=O)C(N)=O;OESLROUSLBTLBY-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162342;MM162342;C#CCCC(C)C(=C)C;PVVZRQRNQILIHG-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162343;MM162343;C#CCCC(C)C(C)=O;YSNSGDBYODUADM-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162344;MM162344;C#CCCC(C)C(=N)N;CWRAMAKPPPJTRU-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162345;MM162345;C=C(N=CNO)NC(C)=O;LPVNEVGBJLWWQV-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162346;MM162346;C#CCCC(C)C(=C)F;OLMALQYUABAHFW-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162347;MM162347;C#CCCC(N)C(=C)C;LGBVGZMCSXXNII-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162348;MM162348;C#CCCC(N)C(=N)N;SECXRSZPECIENV-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162349;MM162349;C#CCCC(N)C(N)=O;WIJLSVPWVARZEW-UHFFFAOYSA-N;126.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162350;MM162350;C#CCCC(N)C(=C)F;PRWDYMBHQQZKQS-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162351;MM162351;C#CCCC(O)C(C)=O;AIVBVXKQFHNFLA-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162352;MM162352;C#CCNC(C)C(=C)C;BNEJBLNLFBVUHH-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162353;MM162353;C#CCNC(C)C(=N)N;VHJWUKOHGAOOOM-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162354;MM162354;C#CCOC(C)C(=C)C;PIHGCIUJWDPTJD-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162355;MM162355;C#CCOC(C)C(=C)F;SCWNWVKLTUQSHO-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162356;MM162356;C#CCCN(C)C(C)=O;ZAAHIXQDGNSNAD-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162357;MM162357;C#CCCN(C)C(=N)N;YBCKZIALXDFRMH-UHFFFAOYSA-N;125.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162358;MM162358;C#CCCN(C)C(N)=O;GYQIOGHBTLLKHI-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162359;MM162359;C#CCCN(N)C(C)=O;ONZBAFKBFJKIPT-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162360;MM162360;C#CCCN(N)C(=N)N;HJONEEFGZWCZQN-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162361;MM162361;CNNC(=O)CCC(C)F;JUEDOYXUIVFBHQ-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162362;MM162362;C#CCCN(O)C(=N)N;OUOKVVXSPYAFHO-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162363;MM162363;C#CCCN(O)C(N)=O;CCNGTJAIUWWQHM-UHFFFAOYSA-N;128.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162364;MM162364;C#CCNN(C)C(=N)N;AOAWQLZVVQJDEC-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162365;MM162365;CC(=O)NNCC(C)CF;RADQJRODBSIQAQ-UHFFFAOYSA-N;148.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162366;MM162366;C#CCON(C)C(C)=N;KDLVMPCQKLFJSJ-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162367;MM162367;C#CCON(C)C(=N)N;LAUQQOKTPDXRAI-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162368;MM162368;C#CCON(C)C(N)=O;ILKPUEIPMQKZKT-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162369;MM162369;C=C(CCCC)C(C)C;NJABDGXGZQHAJZ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162370;MM162370;C=C(CCCN)C(C)C;LOBNCGHYAJNJOM-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162371;MM162371;C=C(C#CC)CC(=O)NN;LANIJUQYBFFPBZ-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162372;MM162372;C=C(CCCF)C(C)C;VUMBPQNEUQPNLR-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162373;MM162373;C=C(CCCC)C(C)N;QZQHNBFLLHCKHC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162374;MM162374;CC(=O)NNCCCCF;LIVSFNOGDQPXRG-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162375;MM162375;C=C(CCCN)C(C)O;VAPTYOGADVUYJU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162376;MM162376;NNC(=O)C=CC(O)CO;NNARMHSIZFPDET-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162377;MM162377;C=C(CCCC)C(C)F;QCCZHZXEKAAQQX-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162378;MM162378;C=C(CCCN)C(C)F;HINQQILXZZVBKG-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162379;MM162379;C=C(CCCF)C(C)F;NKNMHDMGXJLBRC-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162380;MM162380;C=C(CCCN)C(F)F;KNKBIYHAOBOIQR-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162381;MM162381;C=CC(=NN)ONC(N)=O;VFVHGYXXJHIDKX-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162382;MM162382;C=C(CCCF)C(F)F;GGBIWCMYAJMJST-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162383;MM162383;CCCCC(=O)C(C)C;XYYMFUCZDNNGFS-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162384;MM162384;CC(C)C(=O)CCCO;KNQRYKNELYRRAO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162385;MM162385;CC(C)C(=O)CCCF;IVVDJTBCTHVFDG-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162386;MM162386;O=C(CCCF)C(F)F;MSHALPCJKMZKPZ-UHFFFAOYSA-N;140.1;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162387;MM162387;C=C(CCNC)C(C)C;GIMXORXRVPDJHY-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162388;MM162388;C=C(CCNC)C(F)F;PPHLJYOROMZKEO-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162389;MM162389;CNCCC(=O)C(C)F;UZTWQPKEONWXAS-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162390;MM162390;C=C(CCOC)C(C)C;WZVMEVOKNYWJQI-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162391;MM162391;C=C(CCOC)C(C)O;IUKHBKJLEAULJG-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162392;MM162392;COCCC(=O)C(C)C;VUEKVRBSKXKONO-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162393;MM162393;COCCC(=O)C(C)O;ASKCQVHRCXFJOT-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162394;MM162394;C=C(CNCC)C(C)C;RWKPZVKVJJCWLI-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162395;MM162395;C=C(CNCC)C(C)N;LUCWEQVQCWMRMY-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162396;MM162396;C=C(CNCC)C(C)F;NYSWNRGPIUXYSP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162397;MM162397;C=C(CNCC)C(F)F;QLNLVUOATCZIJN-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162398;MM162398;CCNCC(=O)C(C)C;DGHIOQJTDXDYGA-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162399;MM162399;C=C(COCC)C(C)C;JXZVYDZMEDCKRH-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162400;MM162400;C=C(COCC)C(C)N;VIOSIOXEYUCEEE-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162401;MM162401;C=C(COCC)C(C)O;GHTOZKNFSCWKFV-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162402;MM162402;C=C(COCC)C(C)F;OPOHVUAJUZWRQM-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162403;MM162403;CCOCC(=O)C(C)C;FGHUUHODQDZJEP-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162404;MM162404;CCOCC(=O)C(C)O;MKIIYPZCHVHVEX-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162405;MM162405;CC(N)C(=N)NCCO;VWUQGPUFISRJQX-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162406;MM162406;CC(N)C(=N)NCCF;LYZZHULELFAKOC-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162407;MM162407;CC(O)C(=N)NCCN;SURGKKJDVVPVSY-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162408;MM162408;CC(O)C(=N)NCCO;OJJXZCJYUSKTLW-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162409;MM162409;C=CC(O)C(=O)N(C)C=N;WOYOQGXITXTWBR-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162410;MM162410;C=CCC#CCC(=O)NN;SQUFDZDUTXCUAX-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162411;MM162411;CC(C)C(=O)NCCN;KMFVUBFMFJOFIN-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162412;MM162412;CC(N)C(=O)NCCN;OSQSUDBBOWHAHA-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162413;MM162413;CCCNC(=O)C(C)O;VPIANGLUWAQPGA-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162414;MM162414;CC(O)C(=O)NCCN;GCHVXSCALOQEJG-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162415;MM162415;CC(O)C(=O)NCCO;RZCHTMXTKQHYDT-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162416;MM162416;CC(O)C(=O)NCCF;MGHSIABHXSDLHZ-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162417;MM162417;O=C(NCCO)C(F)F;WCAZRCLMPHLLOI-UHFFFAOYSA-N;139.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162418;MM162418;CCNNC(=N)C(C)C;UPVZRGRRTFARDK-UHFFFAOYSA-N;129.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162419;MM162419;CON=C(NNC=O)OC;QPJWEBIBQXEFAW-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162420;MM162420;CCNNC(=O)C(C)F;FLUWZXRFJFRFKU-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162421;MM162421;CCONC(=N)C(C)N;HONUXDSXLGUKHP-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162422;MM162422;O=c1[nH]oc2cc(O)cn12;NAHDJMRLUCCGEO-UHFFFAOYSA-N;140.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162423;MM162423;C=C(OCCC)C(C)C;PRVYKCVIGGEXTQ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162424;MM162424;C=C(OCCN)C(C)C;SJWDHKNVKXVMAI-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162425;MM162425;C=C(OCCC)C(C)N;AIOGFPOIHKYFLD-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162426;MM162426;C=C(OCCN)C(C)N;ZUDKCLLBAWICBI-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162427;MM162427;C=C(OCCN)C(C)O;FBUCKRYMUMKLIB-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162428;MM162428;C=C(OCCO)C(C)F;RDGVUGYXWLRMCM-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162429;MM162429;C=C(OCCN)C(F)F;NCYXVDKZYOFKNH-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162430;MM162430;C=C(OCCO)C(F)F;LZYVCPSKOGVXGR-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162431;MM162431;CC(O)C(=O)OCCO;YVOWOLLEVWDWOH-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162432;MM162432;CC(O)C(=O)OCCF;OPEKGFNWPJNASW-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162433;MM162433;CCCOC(=O)C(C)F;LXPTXVYIIYSSHU-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162434;MM162434;CC(F)C(=O)OCCN;KJXNKWNQPXMHNK-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162435;MM162435;CC(F)C(=O)OCCF;CYMBYIFYUUELIF-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162436;MM162436;C=C(OCOC)C(C)N;TWMWTJICSZYULR-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162437;MM162437;C=C(OCOC)C(C)F;AMMGJCHLFCSKPW-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162438;MM162438;C=C(OCOC)C(F)F;RJFHNACPMDHYFE-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162439;MM162439;COCOC(=O)C(F)F;QMPNKLOUQKFSOR-UHFFFAOYSA-N;140.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162440;MM162440;CCCCC(=N)N(C)C;IGKGLRDQBXBQOQ-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162441;MM162441;CN(C)C(=N)CCCO;RIBOACYVCQITID-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162442;MM162442;CN(N)C(=N)CCCO;GPZHLRLTDNZKSJ-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162443;MM162443;CN(O)C(=N)CCCO;FOOJVPLTFVYELG-UHFFFAOYSA-N;132.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162444;MM162444;CC(N)=C(C#N)C#CCO;RVSYRDJNEHCCJU-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162445;MM162445;CN(O)C(=O)CCCO;NGUOQVGBELBRLY-UHFFFAOYSA-N;133.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162446;MM162446;CNCCC(=N)N(C)N;HLCIZDTZSHVVDL-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162447;MM162447;CNCCC(=N)N(C)O;CSXKNWLVFXKDAN-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162448;MM162448;CNCCC(=O)N(C)N;INIARVXNXUHAGB-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162449;MM162449;COCCC(=O)N(C)O;LDUNKBHSNWKXCJ-UHFFFAOYSA-N;133.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162450;MM162450;CCNCC(=N)N(C)C;GSKLZQTZKKQUTL-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162451;MM162451;CCOCC(=N)N(C)N;IMUICSYLBVPOQE-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162452;MM162452;CCNNC(=O)N1CC1C;QTXHZQYVPHUYJI-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162453;MM162453;CCCNC(=N)N(C)C;LFNCSPVVSOTZNZ-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162454;MM162454;CN(N)C(=N)NCCF;LIOPTNRFYULBFS-UHFFFAOYSA-N;134.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162455;MM162455;CN(O)C(=N)NCCN;KKRIZVIMFLOYHS-UHFFFAOYSA-N;132.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162456;MM162456;CN(C)C(=O)NCCN;HFPUNHXBIPTIDW-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162457;MM162457;CN(C)C(=O)NCCO;CZLBNWYGPWGFEF-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162458;MM162458;CN(C)C(=O)NCCF;TUFMAPISYLABCS-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162459;MM162459;C#CC#CC(O)C1NC1C;FHACINWCBIVULG-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162460;MM162460;C#CC#CC(O)C1CN1C;FUPAITLMIJTHMR-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162461;MM162461;CN(O)C(=O)NCCN;OKRMJLMUHKUVSO-UHFFFAOYSA-N;133.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162462;MM162462;CN(O)C(=O)NCCO;QEVKWWYYKWUTMO-UHFFFAOYSA-N;134.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162463;MM162463;CN(O)C(=O)NCCF;SKONPUSACSBSBV-UHFFFAOYSA-N;136.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162464;MM162464;CCNNC(=N)N(C)O;SSUPKUJVMXULJW-UHFFFAOYSA-N;132.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162465;MM162465;COCON=CNNC=O;HVFGXFIHSAUYMB-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162466;MM162466;CCONC(=N)N(C)N;VAMSIEGVFUFAQG-UHFFFAOYSA-N;132.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162467;MM162467;CCONC(=O)N(C)C;SPFMPWJITVTJBR-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162468;MM162468;CCONC(=O)N(C)N;HRRHEYHERHUCAH-UHFFFAOYSA-N;133.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162469;MM162469;CN(C)C(=N)OCCO;FWLBOPFIIWAREU-UHFFFAOYSA-N;132.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162470;MM162470;CN(O)C(=N)OCCN;GATANRNJIPLKQN-UHFFFAOYSA-N;133.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162471;MM162471;C=Nn1c(N)nncc1=N;FECVZYODYWTHBW-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162472;MM162472;COCOC(=O)N(C)N;PPFXLZSSDWEFRK-UHFFFAOYSA-N;134.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162473;MM162473;C=CCCC(=C)C(C)C;CHWCAFYYLSWDMI-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162474;MM162474;C=C(CCC=O)C(C)C;IYEKWPXLVDAICX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162475;MM162475;C=C(CCC#N)C(C)C;SAXATFIXHYCOJG-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162476;MM162476;C=CCCC(=C)C(C)N;XJCZBPHCSUQSTF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162477;MM162477;COC(=O)NN;WFJRIDQGVSJLLH-UHFFFAOYSA-N;90.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162478;MM162478;NNC(=O)CCO;ABWKONTVVZNLEU-UHFFFAOYSA-N;104.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162479;MM162479;C=CCCC(=C)C(C)F;COMFJDZOBAXVNS-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162480;MM162480;C=C(CCC=O)C(C)F;OLTFCPXGUAEDQB-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162481;MM162481;C=C(CCC#N)C(C)F;SNVVQZCUYDKEGG-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162482;MM162482;C=C(CCC=O)C(F)F;WOMDTJHRTXDJHF-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162483;MM162483;C=CCCC(=O)C(C)C;NJAYZISKWWQCJX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162484;MM162484;CC(C)C(=O)CCC=O;LESSODBPWQKYEB-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162485;MM162485;C=CCCC(=O)C(C)F;KKTBYMQVUGILJJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162486;MM162486;C=C(CNC=N)C(C)C;JUKWSZIPPYYLHP-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162487;MM162487;N#CCC(=O)C(=N)N;VXVQFUSNXDOOSX-UHFFFAOYSA-N;111.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162488;MM162488;C=C(CNC=N)C(C)N;RXMOCNZGJHNHTA-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162489;MM162489;C=C(CNC=O)C(C)N;AMUHUAHCZWHIKW-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162490;MM162490;C=C(CNC=N)C(C)O;OKKPDVBFVCKUGR-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162491;MM162491;C=C(CNC=N)C(C)F;NGGGIEWUIXHDNS-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162492;MM162492;C=C(CNC=N)C(F)F;PYVLNUIYXVRIGV-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162493;MM162493;CC(O)C(=O)CNC=O;PNEPXFSMAZUPMG-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162494;MM162494;C=NNCC(=C)C(C)C;PMRXMDMENWJAGB-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162495;MM162495;CC(C)(F)CNNC=O;VJFFQWRJKSAUNP-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162496;MM162496;NC(CF)C(F)(F)CO;PSDHATWGOFJZHI-UHFFFAOYSA-N;143.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162497;MM162497;C=COCC(=C)C(C)C;NWYZMUAOHLNKLT-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162498;MM162498;C=C(COC=O)C(C)C;SOMPGLWZEKMIBU-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162499;MM162499;C=COCC(=C)C(C)N;NMWQCGQWKJRYLN-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162500;MM162500;C=COCC(=C)C(C)O;HKQIUUSBRVUSBG-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162501;MM162501;C=C(COC=O)C(C)O;FDGXCVWKFQBALX-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162502;MM162502;C=C(COC=O)C(C)F;QCGIGOHWZPQGAQ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162503;MM162503;C=C(COC=O)C(F)F;XLXXCVMXNSOACB-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162504;MM162504;C=COCC(=O)C(C)O;PSJWXIAJTTXEAJ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162505;MM162505;CC(F)C(=O)COC=O;GHKOAUWOLNSXSR-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162506;MM162506;O=COCC(=O)C(F)F;OEHFDRJTBYZTHK-UHFFFAOYSA-N;138.07;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162507;MM162507;C=NOCC(=C)C(C)C;NXGYIJASUADJCF-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162508;MM162508;C=NOCC(=C)C(C)F;OLLBICSVZZEABC-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162509;MM162509;CC(CC=O)NNC=O;ZNIFYKGIIKQABU-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162510;MM162510;C=NOCC(=O)C(F)F;DDEVZRGJBLIRQP-UHFFFAOYSA-N;137.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162511;MM162511;C=CCNC(=N)C(C)N;YSBGOTRJSDWQSW-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162512;MM162512;CC(O)C(=N)NCC=O;OMHNMXIFIAAONR-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162513;MM162513;CC(O)C(=N)NCC#N;QCXGVOYRGMOTNI-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162514;MM162514;CC(F)C(=N)NCC#N;BLUQBLYWSYYWJN-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162515;MM162515;CC(C)C(=O)NCC=O;ZZFOZWGGCHXLBF-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162516;MM162516;CC(O)C(=O)NCC=O;JTWJEECDXHCCBF-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162517;MM162517;CC(O)C(=O)NCC#N;IISRNCLWBCFGAC-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162518;MM162518;CC(F)C(=O)NCC=O;CSZBHGBXLUKTIE-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162519;MM162519;O=CCNC(=O)C(F)F;KKHLQUCUAMOUMU-UHFFFAOYSA-N;137.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162520;MM162520;CC(C)C(=N)NNC=N;PMXWYCLWDAXSTB-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162521;MM162521;CC(C)C(=N)NNC=O;IBOPFYWABTVRET-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162522;MM162522;CC(O)C(=N)NNC=N;FOQYCQNELJBAJW-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162523;MM162523;CC(O)C(=N)NNC=O;ZREXARHYTWOTJZ-UHFFFAOYSA-N;131.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162524;MM162524;C=CNC(=O)NNCC;JHLROLWMZWVHKP-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162525;MM162525;N=C(NNC=O)C(F)F;QVJUYFGAOPRWIV-UHFFFAOYSA-N;137.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162526;MM162526;CC(C)C(=O)NNC=O;ZWTAIPHYDICBCX-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162527;MM162527;CC(O)C(=O)NNC=O;PATOZVIDBZJENL-UHFFFAOYSA-N;132.12;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162528;MM162528;CN=c1[nH]c(=O)nco1;LILKKLCGKNWBNP-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162529;MM162529;CC(F)C(=O)NOC=O;WQKBXROSVZXNJV-UHFFFAOYSA-N;135.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162530;MM162530;C=CCOC(=C)C(C)C;IWEWEOFUQLJVBC-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162531;MM162531;C=CCOC(=C)C(C)O;DMBQAIJAZLQSGS-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162532;MM162532;C=CCOC(=C)C(C)F;PFEGPZVGDHTMOS-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162533;MM162533;C=C(OCC#N)C(C)F;LQMKEYMJDSOKKX-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162534;MM162534;C=C(OCC#N)C(F)F;XCUDQXHBJXOTSE-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162535;MM162535;C=CCOC(=O)C(C)C;QNBDJTKBKITRJI-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162536;MM162536;CC(O)C(=O)OCC=O;HPQFTBLXWMIXBU-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162537;MM162537;C=CCOC(=O)C(C)F;APRUDHFUGVNACU-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162538;MM162538;CC(F)C(=O)OCC#N;MQZYEERODLOPKB-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162539;MM162539;CC#CC=CC(=O)NN;AVXQQKQQBZXLRD-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162540;MM162540;CC(F)C(=O)ONC=O;BDHGCRBHPPADBJ-UHFFFAOYSA-N;135.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162541;MM162541;C=CCCC(=N)N(C)C;BLHGPYAMISKHIC-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162542;MM162542;CN(O)C(=N)CCC=O;XVTRUIMQKMWLAZ-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162543;MM162543;CN(CCO)C(=O)NN;AVJQIZIASXPQBM-UHFFFAOYSA-N;133.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162544;MM162544;CN(O)C(=O)CCC=O;BYKHDRZSAMLEDU-UHFFFAOYSA-N;131.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162545;MM162545;CN(O)C(=O)CCC#N;HATKULMPCUBOID-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162546;MM162546;CN(C)C(=N)CNC=N;OPVVQEAAXDFKRG-UHFFFAOYSA-N;128.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162547;MM162547;CN(N)C(=N)CNC=N;CPXRFFOUZUSQHS-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162548;MM162548;CN(C)C(=O)CN=CN;TVBRAJGWJYDTQK-UHFFFAOYSA-N;129.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162549;MM162549;CN(O)C(=O)CNC=O;XPDOEONIPOZGPP-UHFFFAOYSA-N;132.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162550;MM162550;C=NNCC(=N)N(C)N;XCOXTJWSXLUFMN-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162551;MM162551;C=NNCC(=O)N(C)O;SVHVKZPKVYLOPI-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162552;MM162552;CN(N)C(=N)COC=O;HZFNIQUDEBEVML-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162553;MM162553;CN(C)C(=O)COC=O;CNBYPPZJFUKPCU-UHFFFAOYSA-N;131.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162554;MM162554;C=NOCC(=N)N(C)C;OZAZMFANFBZETF-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162555;MM162555;NN1C(=O)CC(O)C1=O;LITJVQLARKKZDG-UHFFFAOYSA-N;130.1;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162556;MM162556;CN(C)C(=N)NCC=O;JGPNKJRPRCHXNL-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162557;MM162557;CN(O)C(=N)NCC=O;ZCDOQUILXKLFTQ-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162558;MM162558;CN(O)C(=O)NCC=O;NMNBMTRRCMDIKM-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162559;MM162559;CN(C)C(=N)NNC=N;ZAEAIJBAYMXZSP-UHFFFAOYSA-N;129.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162560;MM162560;CN(N)C(=N)NNC=O;AHHLTLIMCJUMGI-UHFFFAOYSA-N;131.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162561;MM162561;CN(O)C(=N)NNC=N;WFOBOTPSWRVHCM-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162562;MM162562;CN(O)C(=N)NNC=O;NBTICRFLQBICRU-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162563;MM162563;CN(C)C(=O)NNC=O;NVSYNGMODMVSHZ-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162564;MM162564;CN(N)C(=O)NNC=N;KERQRBZOJORHNH-UHFFFAOYSA-N;131.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162565;MM162565;CN(O)C(=O)NNC=N;YCKLLIVWAFXNIJ-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162566;MM162566;CN(O)C(=O)NNC=O;DOQSBGNXZWDPMM-UHFFFAOYSA-N;133.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162567;MM162567;CN(C)C(=N)OCC=O;LYXYTQPMQAAERR-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162568;MM162568;C#CCCC(=C)C(C)C;KPLDPNVPMZJCNK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162569;MM162569;C#CCCC(=C)C(C)N;LOCYYJSOLQCLCG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162570;MM162570;Cc1cc(O)n(N)c1N;ZFTGZEIVLDLIQR-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162571;MM162571;C#CCCC(=C)C(C)F;LWPHDWYUFXJFGE-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162572;MM162572;C#CCCC(=O)C(C)C;DKONGVAUVBCXLF-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162573;MM162573;C#CCCC(=O)C(C)F;SAGRNRIWAWXXCA-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162574;MM162574;C#CCNC(=N)C(C)C;MIWMGAZGCLRYDN-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162575;MM162575;C#CCNC(=N)C(C)N;YCTOQIHDRSIUOU-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162576;MM162576;C#CCNC(=N)C(C)O;HFXPJOSOBILWJZ-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162577;MM162577;C#CCNC(=O)C(C)C;PJIIDRNMSVYJFJ-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162578;MM162578;C#CCNC(=O)C(C)O;LDDHATGHIWWNGC-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162579;MM162579;C#CCNC(=O)C(C)F;PXEBJZFJDXXTBP-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162580;MM162580;C#CCOC(=C)C(C)C;PCYFEMDYOUMNTP-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162581;MM162581;C#CCOC(=C)C(C)N;RXQLLLBZRYUBKC-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162582;MM162582;C#CCOC(=C)C(F)F;AKNQLPKHORVRBY-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162583;MM162583;C#CCOC(=O)C(F)F;YZCSHGVVBALDPJ-UHFFFAOYSA-N;134.08;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162584;MM162584;C#CCCC(=N)N(C)C;FKTAPJYCJIIYOG-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162585;MM162585;C#CCCC(=O)N(C)C;YFYSMOHZDAWQHM-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162586;MM162586;C#CCNC(=N)N(C)N;NNSNKGXSVOXLRJ-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162587;MM162587;CC(F)C(N)C(F)(F)CO;GMFIHJGFALIPSF-UHFFFAOYSA-N;157.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162588;MM162588;C#CCNC(=O)N(C)O;LMHNGLVKZBXMOL-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162589;MM162589;C=C(C)C(=C)CCCC;XWUFGQOUZVPZFZ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162590;MM162590;C=C(C)C(=C)CCCN;NOLINORGMIHWCG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162591;MM162591;CC#CC(C)(C)C(=O)NN;IGZUOLGUYYSYBM-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162592;MM162592;C=C(C)C(=C)CCCF;GXABWRSKVHRQEG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162593;MM162593;C=C(CCCC)C(C)=O;JDTQKULHKDUYBT-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162594;MM162594;C=C(CCCC)C(=N)N;HGLTYYSWNQNGSD-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162595;MM162595;C=C(CCCN)C(=N)N;SUSZWGLUDBZCES-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162596;MM162596;C=C(CCCO)C(=N)N;RKDDJLLJMOFUPZ-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162597;MM162597;CNC(CO)C(F)(F)CO;SLSKMTREGVPQPD-UHFFFAOYSA-N;155.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162598;MM162598;C=C(CCCN)C(N)=O;ULPWBLHOWJRDBH-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162599;MM162599;CNC(C#N)C(C)(O)CF;HDSVUOSHRCQPGI-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162600;MM162600;C=C(CCCC)C(=O)O;FEUFEGJTJIHPOF-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162601;MM162601;C=C(F)C(=C)CCCN;ZIESFEVIGOURSN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162602;MM162602;CC(C)COCC(=O)NN;OXQLRQHLJPFUEP-UHFFFAOYSA-N;146.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162603;MM162603;C=C(F)C(=C)CCCF;HZZSTKODLJOSRE-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162604;MM162604;C=C(C)C(=O)CCCC;LXSZBHUGHMTGQC-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162605;MM162605;CC(=O)C(=O)CCCF;BJGWNGJZOOPBGF-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162606;MM162606;CC(CN(C)NC=O)=NN;GNZFZRKRMSLYLJ-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162607;MM162607;NC(=O)C(=O)CCCO;XWQATUFMNBIXRD-UHFFFAOYSA-N;131.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162608;MM162608;NC(=O)C(=O)CCCF;JOZOQNXUFZHOCG-UHFFFAOYSA-N;133.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162609;MM162609;C=C(F)C(=O)CCCC;WKMBAXMYLXJRAW-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162610;MM162610;C=C(F)C(=O)CCCF;SPLAGUPSKJORND-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162611;MM162611;C=C(CCNC)C(=N)N;GJDOJUVIMNHYHY-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162612;MM162612;C=C(CCNC)C(N)=O;NRWJZFILFNZLKR-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162613;MM162613;CNCCC(=O)C(=N)N;WSPZUCVZCVNRLG-UHFFFAOYSA-N;129.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162614;MM162614;C=C(C)C(=C)CCOC;ALAWTPIJVLXZEU-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162615;MM162615;C=C(CCOC)C(C)=O;SPYDKHXRVVHPCA-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162616;MM162616;C=C(C)C(=O)CCOC;KNOKLWFMPSMQCY-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162617;MM162617;O=CCNCC(=O)C(F)F;KNZOWRFEDKXJRR-UHFFFAOYSA-N;151.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162618;MM162618;C=C(F)C(=O)CCOC;AQZDBKMXOODSMD-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162619;MM162619;C=C(CNCC)C(N)=O;YMOPCABMLOPUMN-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162620;MM162620;C=C(F)C(=C)CNCC;DKOOTIWZEHYXHV-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162621;MM162621;C=C(C)C(=C)COCC;MIALEDZPXAFOTO-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162622;MM162622;C=C(COCC)C(C)=O;KAJRPHAXESPNBN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162623;MM162623;C#CCc1nc(O)no1;ZVNFKPIKRKVSRD-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162624;MM162624;C=C(C)C(=O)COCC;WSZOWDILSZBNFZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162625;MM162625;CCOCC(=O)C(C)=O;FYYDZYTWJHNWPF-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162626;MM162626;CCOCC(=O)C(=N)N;OCGXJKQLTZMVDN-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162627;MM162627;CCOCC(=O)C(N)=O;ZRYXJPMTVWRJDA-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162628;MM162628;C=C(C)C(=N)NCCC;LTQXUKMWNVXOBR-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162629;MM162629;C=C(C)C(=N)NCCN;FUEWFGFNOKKTSR-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162630;MM162630;NNC(=O)C=C(CO)CO;OXJCMKRKBRBCNY-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162631;MM162631;CCCNC(=N)C(=N)N;CARANUOJZGIKAR-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162632;MM162632;N=C(N)C(=N)NCCN;NDMMKAMNGKIIRE-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162633;MM162633;N=C(N)C(=N)NCCO;HQLPCWRXPQWCCN-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162634;MM162634;NN=c1ncn(O)c(=O)[nH]1;YQGIUFAHRFWCKT-UHFFFAOYSA-N;143.11;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162635;MM162635;CC(O)C(C=O)=NO;CKVUZUKRYUDLEP-UHFFFAOYSA-N;117.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162636;MM162636;C=C(F)C(=N)NCCC;PGMGXBHOHWMKQR-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162637;MM162637;C=C(F)C(=N)NCCN;PUMQHUCZGBXRJS-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162638;MM162638;C=C(C)C(=O)NCCN;RFZRLVGQBIINKQ-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162639;MM162639;CCCNC(=O)C(C)=O;DOJFVEWZINQUCX-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162640;MM162640;CC(=O)C(=O)NCCO;NMUQYBPDIJRAMA-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162641;MM162641;N=C(N)C(=O)NCCN;IIYPFEVKCATGBY-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162642;MM162642;NCCNC(=O)C(N)=O;VTYMULRIBAMCLK-UHFFFAOYSA-N;131.14;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162643;MM162643;NC(=O)C(=O)NCCO;COVMBDWAODLWIB-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162644;MM162644;CCC(O)C(=NO)C(C)=O;HMVCBSDHFSIQGE-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162645;MM162645;CCC(C)(O)C(C=O)=NO;VQWDIBAGOWLANN-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162646;MM162646;C=C(F)C(=O)NCCC;OFZJETAGSDWOJM-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162647;MM162647;Nc1nncc(=O)[nH]c1=O;CBRMFRGLLOALSW-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162648;MM162648;CCNNC(=O)C(C)=O;DCWBOGBGTOZBAO-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162649;MM162649;CCc1nc(=O)c(N)n[nH]1;PLFOMEBCBXDWRT-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162650;MM162650;C=CC1(CC(=O)NN)CO1;KYLJERWVGIOFDZ-UHFFFAOYSA-N;142.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162651;MM162651;C#CC=CC(=C)C(=O)NN;LDYOUFFCLXJIGK-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162652;MM162652;Cn1oc(O)c(O)c1=NO;PYZIXNLIANBMCH-UHFFFAOYSA-N;146.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162653;MM162653;N=c1nnc(=O)occ1O;GJJTVZSMCLBCFS-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162654;MM162654;Nc1c(F)n(O)c(=O)n1N;TZBLWJBONHFXSX-UHFFFAOYSA-N;148.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162655;MM162655;Cc1nn(N)c(C)c1O;FKMLVXWTWFAMSX-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162656;MM162656;C=C(C)C(=C)OCCC;TXWMEGDYCQVHGK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162657;MM162657;C=C(C)C(=C)OCCN;QUYLSFWXUBEAGN-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162658;MM162658;C=C(OCCC)C(C)=O;ZYQOELTYEKJKEC-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162659;MM162659;C=C(OCCN)C(=N)N;HAZLDDUPKUVODT-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162660;MM162660;C=C(OCCO)C(=N)N;YJEUSHWMTMEPJG-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162661;MM162661;C=C(OCCO)C(N)=O;UCDSKYVAMVQJBZ-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162662;MM162662;Nn1nc(NO)cc1O;XHUNALLEIIAWMI-UHFFFAOYSA-N;130.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162663;MM162663;C=C(F)C(=C)OCCC;BRZZMADQIJBYFE-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162664;MM162664;C=C(F)C(=C)OCCN;JHVNXFFECQIUIR-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162665;MM162665;C=C(F)C(=C)OCCO;PSQBBENKDLHZKE-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162666;MM162666;C=C(C)C(=O)OCCF;WPSKNCNCLSXMTN-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162667;MM162667;CCCOC(=O)C(C)=O;ILPVOWZUBFRIAX-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162668;MM162668;CC(=O)C(=O)OCCO;REDDUWPTHJAEGC-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162669;MM162669;CCCOC(=O)C(=N)N;PUGAAXBUTIWYPT-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162670;MM162670;C=NNCCOC(=O)NN;CGZXSHAGRSHLDL-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162671;MM162671;NC(=O)C(=O)OCCO;HATYHKWROSXPPG-UHFFFAOYSA-N;133.1;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162672;MM162672;CN(O)C=NC(CF)=NO;AKENXSDPDUJRJE-UHFFFAOYSA-N;149.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162673;MM162673;C=C(F)C(=O)OCCC;BQSUZSHZLCVDHW-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162674;MM162674;C=C(F)C(=O)OCCO;OGOPOIJQCGWUDS-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162675;MM162675;C=C(F)C(=O)OCOC;TYIIMSSSRVWSIU-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162676;MM162676;C=CCCC(=C)C(=C)C;IRPDVTLTXFEKLY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162677;MM162677;C=C(C)C(=C)CCC=O;NWFPFQOINCOXKX-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162678;MM162678;C=C(C)C(=C)CCC#N;GKQZABZTJKQYDO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162679;MM162679;C=CCCC(=C)C(C)=O;JVPZELALUUJUJV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162680;MM162680;C=C(CCC=O)C(C)=O;NRFYIUGJUFIYGI-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162681;MM162681;C=CCCC(=C)C(=N)N;LUNORUAZARNGJD-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162682;MM162682;C=C(CCC=O)C(=N)N;GNWWOQKNXWLUJM-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162683;MM162683;C=COCCOC(=O)NN;QQRBHBTXSVUZNY-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162684;MM162684;C=CCCC(=C)C(=O)O;CFAWIIIXUDFAIT-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162685;MM162685;O=Cc1nc(=NO)[nH][nH]1;CHHBEAODSFMMMW-UHFFFAOYSA-N;128.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162686;MM162686;C=C(CCC#N)C(=O)O;YIDUXXPFSYNDRB-UHFFFAOYSA-N;125.13;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162687;MM162687;C=C(F)C(=C)CCC=O;NZVUHCSETXRTHA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162688;MM162688;C=C(F)C(=C)CCC#N;GWIQPWKAYXJOOC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162689;MM162689;C=CCCC(=O)C(=C)C;XAALFPYPZYYTIZ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162690;MM162690;C=C(C)C(=O)CCC=O;IXYXOBSIEHYACC-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162691;MM162691;CC(=O)C(=O)CCC=O;SAAZJODFFYYZKM-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162692;MM162692;C#CC1(C)CC1NNC=O;GHPLNTVOXBEEIR-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162693;MM162693;C=CCCC(=O)C(=C)F;DBRVWFAKSLTOFY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162694;MM162694;C=C(F)C(=O)CCC=O;CZUUMBDOPICTJE-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162695;MM162695;C=C(C)C(=C)CNC=N;DHYNQFYZGZKKCN-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162696;MM162696;CC1CC1(CO)NNC=O;DZAYNTJUGJEGNR-UHFFFAOYSA-N;144.17;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162697;MM162697;C=C(CNC=O)C(=N)N;OOUOTJXDDQREDV-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162698;MM162698;C#CC#Cc1cc(C)n[nH]1;OMDYRBMXJIBYTN-UHFFFAOYSA-N;130.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162699;MM162699;N=c1ncnc(N)c(=O)[nH]1;ACMMRUJXLDXQKA-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162700;MM162700;CC(=O)C(=O)CNC=O;SDITVHYRDMXWTL-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162701;MM162701;C=CC1(CNNC=O)CO1;ODOWGTQHQRDKFL-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162702;MM162702;N=c1nc(O)n(O)cc1N;FKLAKRXPWFKVJJ-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162703;MM162703;C=C(F)C(=O)CNC=N;BXPSFUQHIJGEMQ-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162704;MM162704;C=NNCC(=C)C(=C)C;NJIBYMIKAQVBDJ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162705;MM162705;C=NNCC(=C)C(=N)N;NTLGEJLIDSQJMQ-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162706;MM162706;C=NN=CCCNNC=O;QFBGVAIMXUZGAS-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162707;MM162707;C=COCC(=C)C(=C)C;LVSCQUHBZKCAJN-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162708;MM162708;C=C(C)C(=C)COC=O;MDSCOVYYCKNWQD-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162709;MM162709;C=COCC(=C)C(C)=O;RPHAACPRHAPMKL-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162710;MM162710;C=C(COC=O)C(=N)N;HJKPTOCGTPUKIZ-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162711;MM162711;O=CNNC=NN=CCO;PJYJKYLYPDNDOE-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162712;MM162712;NNC(=O)CN1CC1;ZIGATPTWUPVWGY-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162713;MM162713;C=COCC(=O)C(=C)C;SECSISCYLCKJJK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162714;MM162714;CC(=O)C(=O)COC=O;PIOBFMYKQVBISE-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162715;MM162715;C=COCC(=O)C(=N)N;CFPFDMMDZIJOFD-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162716;MM162716;C=NN1CC(O)C1=O;QHGDJMUXAWTFKV-UHFFFAOYSA-N;114.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162717;MM162717;C=COCC(=O)C(N)=O;PIYXVQXWPFCVAP-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162718;MM162718;NC(=O)C(=O)COC=O;URABQRYUSAYACV-UHFFFAOYSA-N;131.09;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162719;MM162719;C=C(F)C(=O)COC=O;XOODTNVQCIYGEF-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162720;MM162720;C=NOCC(=C)C(=C)C;KZPBZMNITWFDNE-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162721;MM162721;C=NOCC(=C)C(=N)N;SNVXYWVNXBBIAJ-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162722;MM162722;C#CC(C)=CC(=O)NN;LURXXHHCXQVWEO-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162723;MM162723;CN1CC1C(C)(O)C=O;VGALPQICENWWQY-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162724;MM162724;N=C(N)C(=N)NCC=O;PDVXUNGHKVSIOK-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162725;MM162725;CC1NC1(C)C(=O)NN;DTZXVDWJMZXMCN-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162726;MM162726;CN1CC1(C)C(=O)NN;QTYDTDIHFZFSQV-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162727;MM162727;CCn1c(O)nncc1=N;XDYZVIGBFCXQFL-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162728;MM162728;CN=c1[nH]cc(N=O)o1;DTNNNSZRMRAXNB-UHFFFAOYSA-N;127.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162729;MM162729;C=C(F)C(=N)NCC#N;FTFSRBLPHNGIDE-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162730;MM162730;NNC(=O)CC1CC1O;ITZLYJZRDFQIKZ-UHFFFAOYSA-N;130.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162731;MM162731;CC(=O)C(=O)NCC#N;IRDLENKSVNSLRC-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162732;MM162732;NC(=O)C(=O)NCC=O;VHWSNTPQVTUHAH-UHFFFAOYSA-N;130.1;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162733;MM162733;Cc1coc(=O)n1O;PVFKGVQGFWPABC-UHFFFAOYSA-N;115.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162734;MM162734;C=CCNC(=O)C(=C)F;ZLKRIMAMGNFNQW-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162735;MM162735;C=C(F)C(=O)NCC#N;ROTWPTJSBIUDLP-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162736;MM162736;C=C(C)C(=N)NNC=N;IEZQSZNYYBYCFW-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162737;MM162737;C=C(C)C(=N)NNC=O;CCYLKZPZVUBSQR-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162738;MM162738;COC1=CC(F)C(=N)N1;IMMNDYOFBLFFEC-UHFFFAOYSA-N;130.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162739;MM162739;N=C(N)C(=N)NNC=O;JQEACSANTVZIFT-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162740;MM162740;N=CNNC(=N)C(N)=O;KYRWVOAPFYXRNE-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162741;MM162741;C=NNC(C)C(C)(O)C=O;WDHGLFKHVYQDBI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162742;MM162742;C=CCc1cn(O)c(=O)o1;FQKHFAXMTWLVTD-UHFFFAOYSA-N;141.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162743;MM162743;C=C(F)C(=N)NNC=N;NMUQKXXOUZPBTP-UHFFFAOYSA-N;130.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162744;MM162744;CC(=O)C(=O)NNC=O;LTJBMMMKDUVFKW-UHFFFAOYSA-N;130.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162745;MM162745;N=CNNC(=O)C(=N)N;FELFGLYLNPHTJD-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162746;MM162746;N=CNNC(=O)C(N)=O;IZLCCMHSOZHUOL-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162747;MM162747;NC(=O)C(=O)NNC=O;JUFFBDLKDMFRQC-UHFFFAOYSA-N;131.09;-2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162748;MM162748;N#Cc1cnc(=O)n(O)c1;WHSOZTCJPBNGEG-UHFFFAOYSA-N;137.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162749;MM162749;C=C(F)C(=O)NNC=N;ZFQSVORLDRBKLE-UHFFFAOYSA-N;131.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162750;MM162750;C#CCC(C)OC(=O)NN;MVMFSTOYWLSXCB-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162751;MM162751;N=C(N)C(=N)NOC=O;MZRXTORPQHEDAZ-UHFFFAOYSA-N;130.11;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162752;MM162752;CNN=CCNNC(C)=O;RJJKBXGAVJXVEQ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162753;MM162753;C=C(C)C(=O)NC(=O)C#N;KCWSUQFUFHADTQ-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162754;MM162754;CC(=O)C(=O)NOC=O;SDFGREACARAXQK-UHFFFAOYSA-N;131.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162755;MM162755;CNN=CCN(C)NC=O;AEGFNWCXSKRRBL-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162756;MM162756;NC(=O)C(=O)NOC=O;RHJSEKOVGRYYCW-UHFFFAOYSA-N;132.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162757;MM162757;C=C(C)C(=C)OCC#N;IVWZZUFMSVRZSF-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162758;MM162758;C=C(OCC=O)C(=N)N;LYEHLHNSZLZRNN-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162759;MM162759;N#CC1(C#N)CC(=O)NO1;OPMVQMZMGCYLGD-UHFFFAOYSA-N;137.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162760;MM162760;C=C(F)C(=C)OCC#N;ZBCRWGRCTHZEQI-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162761;MM162761;C=CCOC(=O)C(=C)C;FBCQUCJYYPMKRO-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162762;MM162762;CC(=O)C(=O)OCC=O;JQZIMULKJBYVEJ-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162763;MM162763;NN=CC(O)C(O)C=NN;RWHJJJCRDRMLOO-UHFFFAOYSA-N;146.15;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162764;MM162764;NC(=O)C(=O)OCC=O;MSTGNLJIUMKRJW-UHFFFAOYSA-N;131.09;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162765;MM162765;C=C(F)C(=O)OCC=O;SGGPIZBQSOPHRB-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162766;MM162766;C=CC(O)(CO)CON=C;IIUHHTCQIJYMBA-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162767;MM162767;NC(=O)C(=O)ONC=O;BLIFSOGUTBZFAJ-UHFFFAOYSA-N;132.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162768;MM162768;C#CCCC(=C)C(=C)C;YOOKDNJPQQFEHT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162769;MM162769;C#CCCC(=C)C(C)=O;LGASJKKIAPXIMO-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162770;MM162770;C#CCCC(=C)C(=N)N;LAXGJFPJFUMFPB-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162771;MM162771;C#CC(C)(CC)NNC=O;NJZCYEPWOFPBBH-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162772;MM162772;C#CCCC(=C)C(=O)O;ZZJQNKDFGVCTHJ-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162773;MM162773;C#CCCC(=O)C(=C)C;WCMDLEOIEQQQTN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162774;MM162774;C#CCCC(=O)C(=N)N;LIPMLBODMDXDBR-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162775;MM162775;C#CCCC(=O)C(=C)F;MDONEKMTTPXWEK-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162776;MM162776;C#CCNC(=N)C(=C)C;HGAMEXRGPAKBBT-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162777;MM162777;C=CC1(OC(=O)NN)CC1;QOYFVOAYMBCKOQ-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162778;MM162778;C#CCNC(=N)C(=N)N;FPIZRLBYONBABG-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162779;MM162779;CC(=NN)C(O)C(O)CO;ZTGWUHDYOJVRED-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162780;MM162780;CC=NOC(=N)NNC=O;HYQPNUVPPVFOBV-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162781;MM162781;C#CCNC(=O)C(C)=O;KJTIBPZHIHFMEI-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162782;MM162782;C#CCNC(=O)C(N)=O;UTVWTWFTRFFOBS-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162783;MM162783;O=c1c(F)c(F)n(O)n1O;FKHRWWSTDZOWPC-UHFFFAOYSA-N;152.06;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162784;MM162784;C#CCOC(=C)C(=C)F;HDKQDADHCPXZER-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162785;MM162785;C#CCOC(=O)C(=N)N;UOUKUACSFRPDQN-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162786;MM162786;C#CCOC(=O)C(N)=O;DWGKNCBJSGXIIH-UHFFFAOYSA-N;127.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162787;MM162787;C#CCOC(=O)C(=C)F;QCTIZVWTLPGYMA-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162788;MM162788;CC=CCC(C)C(C)C;BKEYWBYGGPWUKY-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162789;MM162789;CC(C)C(C)CC=CF;DNKGLMOAWBVJBA-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162790;MM162790;CC=CCC(C)C(C)N;ZUPHNIQRAZTTSL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162791;MM162791;CC(N)C(C)CC=CF;IEYLPSAYFYJNKQ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162792;MM162792;CC(F)C(C)CC=CF;AVRSKUMRPZNVBB-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162793;MM162793;CC=CCC(N)C(C)C;ZVLJYCNPEOORST-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162794;MM162794;CC(C)C(N)CC=CF;CDPVCSLKKRTPJR-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162795;MM162795;CC=CCC(N)C(C)N;JBPGQVACAPYVOU-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162796;MM162796;CC=CCC(N)C(C)O;PWYQSHJEAITWNL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162797;MM162797;CC(O)C(N)CC=CF;FGEATWIBZJOFNC-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162798;MM162798;CC=CCC(N)C(C)F;ICCXIIMWPTUKRJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162799;MM162799;CC(F)C(N)CC=CF;PIJMIVYXVQPXET-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162800;MM162800;CC=NNC(C)C(=O)NN;QNGARHGAQVKPNC-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162801;MM162801;CC=CCC(O)C(C)N;XNJBXLMWYQWIPX-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162802;MM162802;CC(N)C(O)CC=CF;MEHXWFBQBPLKAC-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162803;MM162803;CC=CCC(F)C(C)C;IOCVSHJNWVNQPJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162804;MM162804;CC(C)C(F)CC=CF;ZPTHIFYHXXPBJZ-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162805;MM162805;CC=CCC(F)C(C)N;JIEGNZXPZFCERB-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162806;MM162806;CC(N)C(F)CC=CF;JDLSNWQSCFSBTG-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162807;MM162807;CC(O)C(F)CC=CF;KHCLLEFEEMBTRZ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162808;MM162808;CC(F)C(F)CC=CF;FOAFQQTWKRFKJJ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162809;MM162809;CC(C)C(C)CC=NN;GVUHLUGFMSWDGJ-UHFFFAOYSA-N;128.22;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162810;MM162810;CNN(C=N)C(C#N)C#N;KSIONVBANLPZCK-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162811;MM162811;CC(F)C(C)CC=NO;BQOAIYATAHHODH-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162812;MM162812;CC(O)C(N)CC=NO;TWPIVGNRCDRQNE-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162813;MM162813;CC(N)C(O)CC=NO;MQODRXIFHAIOTP-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162814;MM162814;C#CC(=NN)N(C)NC=O;CRMJWWVBXSHARD-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162815;MM162815;N=c1nc(CO)nnn1O;QJXAKIYZDHCTCA-UHFFFAOYSA-N;143.11;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162816;MM162816;CC(C)C(F)CC=NN;VPPKGMJRTQAIHQ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162817;MM162817;CC(C)C(F)CC=NO;XTSLPPBEDPILEN-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162818;MM162818;CC(F)C(F)CC=NN;DJSQGIYXFKVBTO-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162819;MM162819;CC(F)C(F)CC=NO;WTDQEWGZKGAREH-UHFFFAOYSA-N;137.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162820;MM162820;CN=CNC(C)C(C)C;AXJSTHCHWWEYKG-UHFFFAOYSA-N;128.22;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162821;MM162821;CC(C)C(C)N=CNN;AUMMXZRFXYGSQB-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162822;MM162822;CN=CNC(C)C(C)O;OFCJBRCTRIVXQK-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162823;MM162823;CC(O)C(C)N=CNN;XBNQPVSENBJPLL-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162824;MM162824;CC=NNC(C)C(C)F;ZJWRHAUNFXETPB-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162825;MM162825;CC=COC(C)C(C)C;OUFARSIQXVMULJ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162826;MM162826;CC=COC(C)C(C)N;XNTRCZHEGUCRDU-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162827;MM162827;CC=COC(C)C(C)O;IKPHXRWLMRXDCT-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162828;MM162828;CC(O)C(C)OC=CF;YAJCEEDHNTVXDF-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162829;MM162829;CC=COC(C)C(C)F;ZFNMWDGIXXVRNP-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162830;MM162830;CC=COC(C)C(F)F;INKDMJDGRYQTRP-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162831;MM162831;Nc1ccc(O)n1N;AJFNRUBFCSEQQP-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162832;MM162832;CC=NOC(C)C(C)N;HMUISDNMUAZTNC-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162833;MM162833;CC1CN1C(=O)NN;OHFMJZPVKIIUSB-UHFFFAOYSA-N;115.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162834;MM162834;CC=NOC(C)C(C)F;DSTQFVXCYIOJFW-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162835;MM162835;CC=NOC(C)C(F)F;QTNZLPDYMVZRMX-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162836;MM162836;CC=CCC(C)N(C)C;GNKHMHRSMPUDDG-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162837;MM162837;CC(CC=CF)N(C)C;HDVSNLPEMJPRDW-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162838;MM162838;CC=CCN(C)C(C)C;DPDJIRPYKDTDBD-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162839;MM162839;CC(C)N(C)CC=CF;VCTJQVJWSURACS-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162840;MM162840;C=C(C)NC(=O)NNC;LZVPLTPIGSOVOB-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162841;MM162841;C=C(C)C(C)CC=CC;WJZNCMPRGOAEIL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162842;MM162842;C=C(C)C(C)CC=CF;KJBDUQAXGXNWLT-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162843;MM162843;CC=CCC(C)C(C)=O;DPBATJOWXABPDN-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162844;MM162844;CC(=O)C(C)CC=CF;YZXDPCUXZHOUJY-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162845;MM162845;CC=CCC(C)C(=N)N;ZJYCPCFOFAMCGA-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162846;MM162846;CC(CC=CF)C(=N)N;OVAJTKXSFVFVLO-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162847;MM162847;COC(N)=CC(=O)NN;SDFGBXFJCRRATB-UHFFFAOYSA-N;131.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162848;MM162848;CC(CC=CF)C(N)=O;QNVRJBQHWRYYHQ-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162849;MM162849;CC=CCC(C)C(=O)O;HFAXNGJLZXRBRG-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162850;MM162850;C=C(F)C(C)CC=CC;SEUWLUJOBGAXAC-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162851;MM162851;C=C(F)C(C)CC=CF;RGDFQZFPRKNLQJ-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162852;MM162852;C=C(C)C(N)CC=CC;IAJWNGNIADMGFL-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162853;MM162853;C=C(C)C(N)CC=CF;AUAHGCVHCTVBNI-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162854;MM162854;C=C(F)C(N)CC=CC;YODXZYPWZJPFOB-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162855;MM162855;CC=CCC(O)C(C)=O;COGCULVSFKYVJK-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162856;MM162856;CC=CCC(O)C(=N)N;VJBDRTPDVFEREY-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162857;MM162857;C=C(F)C(O)CC=CC;YDCOQGODEHALOF-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162858;MM162858;CC=CCC(F)C(C)=O;HRMWMEIHCSIWKY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162859;MM162859;CC=CCC(F)C(N)=O;MRPWCYPIFSEOCA-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162860;MM162860;C=C(C)C(C)CC=NN;RUOUROPKVGTCAS-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162861;MM162861;C=C(C)C(C)CC=NO;JTRHPBUUZSGUBE-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162862;MM162862;CC(CC=NN)C(=N)N;WQXMPGLCCWOYMB-UHFFFAOYSA-N;128.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162863;MM162863;CC(=O)NNC(C)CO;PXWWAOCERQMBFS-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162864;MM162864;N=C(N)C(N)CC=NO;IEOPTYQFLATUDT-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162865;MM162865;OCC(F)(F)CN1CC1;YAISBEFHIDVQJS-UHFFFAOYSA-N;137.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162866;MM162866;CC(=O)C(F)CC=NO;RUKSVAZSMZBDLS-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162867;MM162867;C=C(C)C(C)NC=NC;ZDIZMOUGKKCRBB-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162868;MM162868;C=C(C)C(C)N=CNN;AAWGMFCNUWJXDW-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162869;MM162869;CN=CNC(C)C(C)=O;UGYDRMCTKUNHKU-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162870;MM162870;CN=CNC(C)C(=N)N;GDQBRDLFSKSTOY-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162871;MM162871;CC(N=CNN)C(=N)N;PFXCYJSRAIZTEY-UHFFFAOYSA-N;129.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162872;MM162872;CN=CNC(C)C(N)=O;HSGHSTWBVGCSAQ-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162873;MM162873;C#CCNC(=O)ON=C;UESASJIDDFEOFO-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162874;MM162874;CNNC(=O)C=COC;VJCSFEIJTQHKJV-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162875;MM162875;C=C(C)C(C)OC=CC;RDWHEDIJLRYXFP-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162876;MM162876;C=C(C)C(C)OC=CF;GYNSGNKSKIQCSE-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162877;MM162877;CC(=O)C(C)OC=CF;NLRCYYMEDBWIPO-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162878;MM162878;CC=COC(C)C(=N)N;WATSEZWRPMVFTQ-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162879;MM162879;CC=COC(C)C(N)=O;IYEKOEOTSRLANQ-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162880;MM162880;N#CCc1nc(O)no1;DINHMHQZOLKODY-UHFFFAOYSA-N;125.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162881;MM162881;C=C(F)C(C)OC=CC;WBKPPGGMIPZSHW-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162882;MM162882;CC(OC=NN)C(=N)N;KHJHXACFQZQNRG-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162883;MM162883;CC(OC=NO)C(=N)N;COKFSHQPNVPQHT-UHFFFAOYSA-N;131.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162884;MM162884;CC(OC=NO)C(N)=O;FOOZLGSZEWBIKT-UHFFFAOYSA-N;132.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162885;MM162885;C=C(C)C(C)ON=CC;SQOGXVXRMIGFJS-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162886;MM162886;CCC(=O)NNCCO;UGOWMXKRKUKFFW-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162887;MM162887;CC(CO)N(C)NC=O;UCCBYOSASCGLTI-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162888;MM162888;C=COC(=NO)C(F)=CF;GCPFDCULCYAVJI-UHFFFAOYSA-N;149.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162889;MM162889;C=C(F)C(C)ON=CC;CGNBEEPIHFGESW-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162890;MM162890;CC(=N)N(C)CC=CF;MQWVNYVJNPKXCC-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162891;MM162891;CC=CCN(C)C(C)=O;XFCWPEGMODAPIK-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162892;MM162892;CC(=O)N(C)CC=CF;SOQBARCGPDHINP-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162893;MM162893;CC=CCN(C)C(=N)N;IHRJCGBZORXWSR-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162894;MM162894;N=C(N)N(N)CC=CF;UPQWMSPZHVNLRW-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162895;MM162895;CNNC(=O)C(C)CO;YYMYIQCMARRTPD-UHFFFAOYSA-N;132.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162896;MM162896;N=C(N)N(O)CC=CF;ZHSZBFWOIDKTKI-UHFFFAOYSA-N;133.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162897;MM162897;NC(=O)N(O)CC=CF;XGURAOXCOHRCCF-UHFFFAOYSA-N;134.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162898;MM162898;CC(=N)N(C)CC=NO;FSUVHNBGKUTWAS-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162899;MM162899;CC(=O)N(C)CC=NN;ROUSLXAVZOTGQY-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162900;MM162900;CC(=O)N(C)CC=NO;UIHPXKPXOKIFBW-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162901;MM162901;CN(CC=NN)C(=N)N;IRJKTPJTGNTSKF-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162902;MM162902;C=CN(C)C(=O)NNC;GJDXJUNLGRYUCJ-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162903;MM162903;CN(CC=NO)C(N)=O;FIWSGXLIJUORCC-UHFFFAOYSA-N;131.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162904;MM162904;CC(=N)N(N)CC=NN;NLFBSYPYAAASQG-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162905;MM162905;N=C(N)N(N)CC=NN;SYLCUKRKWQZMMD-UHFFFAOYSA-N;130.16;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162906;MM162906;CNN=CC(C)(O)C(C)F;BQMKWJHDICPAME-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162907;MM162907;CC(=N)N(O)CC=NN;RSJJCTYWIXZIBS-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162908;MM162908;N=C(N)N(O)CC=NN;MZSHZQMPNKZFLB-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162909;MM162909;NN=CCN(O)C(N)=O;QOLFFDPIFPRHFE-UHFFFAOYSA-N;132.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162910;MM162910;CN=CNN(C)C(C)=N;PCXRCQRHRFYCTL-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162911;MM162911;CC(=N)N(C)NC=NO;QGGWZXKUMKEZRL-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162912;MM162912;CN=CNN(C)C(C)=O;HNXOWUHGCCIQNF-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162913;MM162913;OCCNCC(F)(F)CO;KEEOGWXHGIXCKF-UHFFFAOYSA-N;155.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162914;MM162914;CN=CNN(C)C(=N)N;JEGUHRYDSDJDMU-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162915;MM162915;CN=CNN(C)C(N)=O;XCLPLAJEJNWKKE-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162916;MM162916;C=C(CC=CC)C(C)C;KKKHJDOOIQCWIL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162917;MM162917;C=C(CC=CF)C(C)C;OXSIEBOGEVAECV-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162918;MM162918;C=C(CC=CC)C(C)N;FNMNYEVFRKXGAH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162919;MM162919;C=C(CC=CF)C(C)N;KOUNJTUPLDZCHT-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162920;MM162920;CC1CC1(C)NNC(N)=O;YABRHMAROFDOOW-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162921;MM162921;C=C(CC=CF)C(C)F;ZMNXZDVROFVOAT-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162922;MM162922;CC=CCC(=O)C(C)C;VTYMHBXUWFKHTN-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162923;MM162923;CC(C)C(=O)CC=CF;BHJHYXWFGOTIFG-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162924;MM162924;CC=CCC(=O)C(C)O;CWNROZDXTCGXSD-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162925;MM162925;CC=CCC(=O)C(C)F;MCDQTTVASUMSSI-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162926;MM162926;CC(F)C(=O)CC=CF;CTBGFLUJDMNWOM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162927;MM162927;C=C(CC=NO)C(C)C;ALAHXAGQMQMICP-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162928;MM162928;C=C(CC=NO)C(C)O;PLEWWADBUVAMIQ-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162929;MM162929;C=C(CC=NO)C(C)F;ZHSCGVZHRVDMRJ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162930;MM162930;CC=CNC(=N)C(C)C;MWEHYYUOMJGOSI-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162931;MM162931;CC(C)C(=N)NC=CF;LNBALJSHEPBQRO-UHFFFAOYSA-N;130.17;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162932;MM162932;CC(O)C(=N)NC=CF;OUZCZFJAHKYRSX-UHFFFAOYSA-N;132.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162933;MM162933;CC(F)C(=N)NC=CF;NLHVHIJHKOHEHC-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162934;MM162934;CC=CNC(=N)C(F)F;CWFSDTJMAYDOBD-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162935;MM162935;CC=CNC(=O)C(C)C;NHNIUBAYYRGBNU-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162936;MM162936;CC(C)C(=O)NC=CF;KJXAVTVIRJDMAS-UHFFFAOYSA-N;131.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162937;MM162937;CC=CNC(=O)C(C)O;AHKBUUDDNHZYOD-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162938;MM162938;CC(O)C(=O)NC=CF;ZRDZLENHTQYFGK-UHFFFAOYSA-N;133.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162939;MM162939;C=C(NC=NC)C(C)C;YXCCWIQANAQPHV-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162940;MM162940;C=C(NC=NC)C(C)N;FNOSLFIVSAJJPR-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162941;MM162941;C=C(NC=NC)C(C)O;VBQMYGCETPUZKV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162942;MM162942;C=C(N=CNN)C(C)O;MPPVCKLMXSMYSR-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162943;MM162943;C=C(NC=NC)C(C)F;GNRNYXJFEFARJH-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162944;MM162944;C=C(N=CNN)C(C)F;PUVJXXQQENDXGG-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162945;MM162945;CN=CNC(=N)C(C)N;YEALUPBQUYQBGP-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162946;MM162946;CN=CNC(=N)C(C)O;KLAKCWZQCUQJFN-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162947;MM162947;C=C(CC=O)CNNC=O;QFLDNVMVKQHPTF-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162948;MM162948;CC(O)C(=O)NC=NN;YYLLQXFRKRREOP-UHFFFAOYSA-N;131.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162949;MM162949;CC(O)C(=O)NC=NO;YDKYWSRBZACYAO-UHFFFAOYSA-N;132.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162950;MM162950;CC(F)C(=O)NC=NO;FOZQNPMMULJPRP-UHFFFAOYSA-N;134.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162951;MM162951;CC#CC(O)CON=CC;XUZILUDOSYYKND-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162952;MM162952;C=C(CNNC=O)C(C)=O;WAAVPDBZYDBVSC-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162953;MM162953;CC=NNC(=O)C(C)F;SIUVXYDBNYRSKV-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162954;MM162954;CC=NNC(=O)C(F)F;IPBAZWIUEKXDLQ-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162955;MM162955;C=C(OC=CF)C(C)C;BMPDWZKGWIOQOT-UHFFFAOYSA-N;130.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162956;MM162956;C=C(OC=CC)C(C)N;ALLCLSGSTFAHHE-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162957;MM162957;C=C(OC=CF)C(C)N;FMWJGCXIUMGXDI-UHFFFAOYSA-N;131.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162958;MM162958;C=C(OC=CF)C(C)O;IJWQPFCGMJPSBJ-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162959;MM162959;C=C(OC=CC)C(C)F;UQZLNDLKHSPLTD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162960;MM162960;C=C(OC=CF)C(C)F;BCSWZYIXAHXCCB-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162961;MM162961;C=C(OC=CC)C(F)F;LUKAAYJPYRCQMS-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162962;MM162962;CC=COC(=O)C(C)C;WLHQOSCHIZYVJH-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162963;MM162963;CC(C)C(=O)OC=CF;HPQIIXGMASUQAV-UHFFFAOYSA-N;132.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162964;MM162964;CC=COC(=O)C(C)O;BIEVQXFBXUQPFO-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162965;MM162965;CC=COC(=O)C(F)F;GYCHPYADVTURMA-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162966;MM162966;C#CCC(O)C(=O)N(C)N;IPUUSMJPKXDULB-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162967;MM162967;C=C(OC=NO)C(C)F;CWNXVOMMADFNPU-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162968;MM162968;CC(F)C(F)C(O)C=NN;VXKCTVXEOFDLPQ-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162969;MM162969;C=C(OC=NO)C(F)F;XQSHJUGVVMPSSK-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162970;MM162970;CC(O)C(=O)OC=NN;PQIQMANOPDNEQF-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162971;MM162971;CCOC(CC=O)=NNC;IKBRFXGGMLPADP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162972;MM162972;CC=NOC(=O)C(C)F;WLUSORCNLUTXNE-UHFFFAOYSA-N;133.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162973;MM162973;C#CC(CC)NC(=O)NN;FOUQKXFHTZFRFD-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162974;MM162974;CC=CCC(=N)N(C)C;WPVSGUIUHNLOPD-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162975;MM162975;CC=CCC(=O)N(C)N;JELGIWKYRPLLDL-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162976;MM162976;CC=CCC(=O)N(C)O;UXELFKKAXMRCSI-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162977;MM162977;CN(C)C(=N)CC=NN;MVIZFPCGSCOIFH-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162978;MM162978;CN(N)C(=N)CC=NN;OVEAZEIAJOEKPP-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162979;MM162979;CN(N)C(=N)CC=NO;QMIBUFHKBQWJKQ-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162980;MM162980;C#CC(=CC)CC(=O)NN;QYOLSUIQZGBHTA-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162981;MM162981;CN(O)C(=O)CC=NN;KDXOAPVZQCVULH-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162982;MM162982;CC=CNC(=N)N(C)C;YEJUNQWCOIAFTK-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162983;MM162983;CN(N)C(=N)NC=CF;PRHMDAJSNVVROK-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162984;MM162984;CCC1(NNC(N)=O)CC1;VVDCZSJQQHIZTQ-UHFFFAOYSA-N;143.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162985;MM162985;CN=CNC(=N)N(C)N;FCADXBYORGTSKW-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162986;MM162986;CN=CNC(=N)N(C)O;MNLDVTIMNDYBPO-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162987;MM162987;CN(C)C(=O)NC=NN;OBZYDQLNWNTOBR-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162988;MM162988;CN(C)C(=O)NC=NO;UQTBREFWBTZJGS-UHFFFAOYSA-N;131.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162989;MM162989;CNN=CC(O)C(F)CO;AATVKTDZJKHBQT-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162990;MM162990;CN(N)C(=O)NC=NN;VZZMMNVVNKOGER-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162991;MM162991;CN(N)C(=O)NC=NO;URVOWFKWQCAUAM-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162992;MM162992;CN=CNC(=O)N(C)O;NCPHCARROHTAAL-UHFFFAOYSA-N;131.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162993;MM162993;CN(O)C(=O)NC=NN;SIDYDMQINAVNBQ-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162994;MM162994;CN(O)C(=O)NC=NO;VYQJXLDZCUBINV-UHFFFAOYSA-N;133.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162995;MM162995;CN(C)C(=N)OC=NN;DDSPRZQZDCYRGU-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162996;MM162996;CON=CC=CC(=O)NN;LTDKGYUYAXAMEO-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162997;MM162997;CN(N)C(=O)OC=NO;HFJQQRTZFMJOCX-UHFFFAOYSA-N;133.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162998;MM162998;C=C(C)C(=C)CC=CC;OWBDSBVFZNDITH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM162999;MM162999;C=C(C)C(=C)CC=CF;CDKBTAGLVHJBPL-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163000;MM163000;C=C(CC=CC)C(C)=O;LUYGQJFYHOUMIY-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163001;MM163001;C=C(CC=CF)C(=N)N;NTFFLVJOZACDMS-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163002;MM163002;C=C(F)C(=C)CC=CF;NBFYKJWKWUNLNC-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163003;MM163003;C=C(C)C(=O)CC=CC;ZINBLEKLMOBYJU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163004;MM163004;C=C(C)C(=O)CC=CF;HMSVFIYNYKFPSI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163005;MM163005;CC=CCC(=O)C(C)=O;QMNVFSQKVUPOAX-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163006;MM163006;C=NNC(C#N)C(O)CF;WCZDWJPQCMCQIS-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163007;MM163007;NC(=O)C(=O)CC=CF;AKVPARZNBMKZTC-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163008;MM163008;Nc1nc(F)c(O)o1;CZYPQTILUNIXQA-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163009;MM163009;Nn1ncn(O)c1=O;YLUCFTDOKFTGLZ-UHFFFAOYSA-N;116.08;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163010;MM163010;C=C(F)C(=O)CC=CC;AJXYLNPHIMSLGK-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163011;MM163011;C=C(F)C(=O)CC=CF;DMJDGGBGMCANGX-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163012;MM163012;C=C(C)C(=C)CC=NN;YFHBOCFSHXLCFM-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163013;MM163013;C=C(CC=NN)C(=N)N;KQCPNNBCAJFMIO-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163014;MM163014;NC(=O)C(=O)CC=NO;BNMGBRIWOITDKN-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163015;MM163015;C=C(C)C(=N)NC=CC;WEJNUKTWXUMFMC-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163016;MM163016;C=C(C)C(=N)NC=CF;PFVNKJFOQBNJFU-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163017;MM163017;CCCC(C=O)NNC=O;JEYFXWDIQIWGCR-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163018;MM163018;N=C(N)C(=N)NC=CF;LCHQVXNESHXLEN-UHFFFAOYSA-N;130.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163019;MM163019;CN(C)C(C=O)C(O)C=O;YXUWTNTZDGZTOV-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163020;MM163020;C=C(C)C(=O)NC=CF;FTBGJCDXKGMKTN-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163021;MM163021;CC=CNC(=O)C(C)=O;DZDGONFRDWBMBA-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163022;MM163022;NC(=O)C(=O)NC=CF;RHLNDPZJNUBRHK-UHFFFAOYSA-N;132.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163023;MM163023;C=C(F)C(=O)NC=CC;KKEANOGNUZYQGV-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163024;MM163024;C=C(C)C(=C)N=CNN;MUDBWGYVZBHERR-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163025;MM163025;N=c1nnn(O)c(=N)n1O;AFNNPBXSFBIKCH-UHFFFAOYSA-N;144.09;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163026;MM163026;NN=c1nc(N)nnn1O;AEUTZSNXGKZYJK-UHFFFAOYSA-N;143.11;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163027;MM163027;C=C(F)C(=C)NC=NO;UDCYWNVBFAZHTN-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163028;MM163028;C=CNC(=O)NN;IZRCNIMWEMUJNE-UHFFFAOYSA-N;101.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163029;MM163029;CN=CNC(=N)C(=N)N;HCMPXVJUGMDQAU-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163030;MM163030;N=C(N)C(=N)NC=NN;XWYRUSICKZPOKE-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163031;MM163031;N=C(N)C(=N)NC=NO;IOSMVDUUZTXJMQ-UHFFFAOYSA-N;129.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163032;MM163032;NN=CNNC(N)=O;YRJZCKGOCMIDOX-UHFFFAOYSA-N;117.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163033;MM163033;CC(CO)NC(=O)NN;RMFLZFZJWPXJAH-UHFFFAOYSA-N;133.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163034;MM163034;C=COC(=NO)C(C)(C)F;IKLKNXDBWLIBMF-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163035;MM163035;NC(=NC=NO)C(=O)O;ZLZDYXYGHSHCQK-UHFFFAOYSA-N;131.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163036;MM163036;CN=CNC(=O)C(N)=O;ACHBFBCERBFUPZ-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163037;MM163037;NN=CNC(=O)C(N)=O;WZVQUUZNPANBAB-UHFFFAOYSA-N;130.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163038;MM163038;NC(=O)C(=O)NC=NO;WESVZMWFXXIHRJ-UHFFFAOYSA-N;131.09;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163039;MM163039;COC(C)(C)C(C=O)=NO;HWPFYUAQWRPRQY-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163040;MM163040;C=C(F)C(=O)NC=NC;MGTBOTOOIVIRQC-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163041;MM163041;C=C(F)C(=O)NC=NN;BMDKXVXWYSICLA-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163042;MM163042;C=C(F)C(=O)NC=NO;BHDLBAYBMLMHHP-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163043;MM163043;CN(C)N(C)C(=O)NN;BMHAIMCFNOJWSP-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163044;MM163044;C=C(C)C(=O)NN=CC;NWWMQRFJPCUUET-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163045;MM163045;C=COC=CC(C#N)=NO;DCFOIALDYLCMSJ-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163046;MM163046;C=C(C)C(=C)OC=CF;ATVQRXNHFIKUCZ-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163047;MM163047;C=C(OC=CF)C(C)=O;NOTNMWZJPCFWBR-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163048;MM163048;C=C(OC=CC)C(=N)N;QMDOOHRGHNAACZ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163049;MM163049;C=C(OC=CC)C(N)=O;SLTQTPUCKPYELM-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163050;MM163050;C=C(OC=CF)C(N)=O;NIXMPUVXWQMBOM-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163051;MM163051;C=C(C)C(=O)OC=CC;UHDJLJWVPNZJJO-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163052;MM163052;N=C(N)C(=O)OC=CF;AQYNWJZXJIPGKA-UHFFFAOYSA-N;132.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163053;MM163053;CC=COC(=O)C(N)=O;WTFCNEXPHYTIFN-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163054;MM163054;NC(=NO)C(F)(C=O)CF;JWSCSQGBRVPTFM-UHFFFAOYSA-N;152.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163055;MM163055;C=C(F)C(=O)OC=CC;WEXOSKXVMOYYNP-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163056;MM163056;C=C(OC=NN)C(=N)N;OITAKCOIJNMABR-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163057;MM163057;NN=CC(O)C(F)CF;WNSJEVKSAOTOHA-UHFFFAOYSA-N;138.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163058;MM163058;C=C(F)C(=C)OC=NO;RDHUVFAEMMOBTJ-UHFFFAOYSA-N;131.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163059;MM163059;C=C(C)C(=O)ON=CC;APACNQIKFMIPAO-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163060;MM163060;C=Cc1c[nH]c(CF)n1;WREZEJBMTBUDQC-UHFFFAOYSA-N;126.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163061;MM163061;C=C(F)C(=O)ON=CC;UNVWASJSEXJQSS-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163062;MM163062;CC#CCC(C)C(C)C;FIKWMMUHVDCXMN-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163063;MM163063;CC#CCC(C)C(C)N;UXVWOSUHMUMQPX-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163064;MM163064;NNC(=O)C=CC1CO1;OVUOVHZZWVEPRP-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163065;MM163065;CC#CCC(N)C(C)C;ACFHUPOVSMZJBY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163066;MM163066;CC#CCC(N)C(C)N;HKXDMEUCGOXHCE-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163067;MM163067;CC#CCC(N)C(C)F;JOQSSWDBJAULMZ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163068;MM163068;C=CC(C)(O)C(=O)C(=N)N;LHMLYOHOIPHZRM-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163069;MM163069;CC#CCC(C)N(C)C;HVUMQXZDLRLXKP-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163070;MM163070;CC#CCN(C)C(C)C;IUSOIXPTDOMYPM-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163071;MM163071;C=C(C)C(C)CC#CC;FAGZZFVHHPZEFW-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163072;MM163072;CC#CCC(C)C(C)=O;FYONDBRAVSLARD-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163073;MM163073;CC#CCC(C)C(=N)N;BALONOBOBZYSHY-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163074;MM163074;CC#CCC(C)C(N)=O;OOGVEWRAYYDKDT-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163075;MM163075;CC#CCC(C)C(=O)O;YVZVHNPTRCHYEY-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163076;MM163076;C=C(F)C(C)CC#CC;BZGJALJFAKZNIY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163077;MM163077;C=C(C)C(N)CC#CC;BKPDAGBLXXRWPG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163078;MM163078;CC(=CCF)CC(=O)NN;UIELHVOMPQIOAS-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163079;MM163079;CC#CCC(O)C(C)=O;JBYQSMLUFZOGQC-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163080;MM163080;C=C(C)C(F)CC#CC;VZNUVSISYLLAJH-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163081;MM163081;CC#CCC(F)C(C)=O;YBTOPBARZRICAU-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163082;MM163082;CC#CCC(F)C(=O)O;BMZOKEYZAFRIAV-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163083;MM163083;CC#CCN(C)C(C)=N;UZMARBBTCXUGPS-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163084;MM163084;CC#CCN(C)C(C)=O;MJPOUQKPLXCHJZ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163085;MM163085;CC#CCN(C)C(=N)N;PXIYVMCXMRPTEQ-UHFFFAOYSA-N;125.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163086;MM163086;CC#CCN(C)C(N)=O;GTOLTTUQFLLZHJ-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163087;MM163087;CC#CCN(N)C(C)=O;UJDCYDJICBIVCM-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163088;MM163088;C=C(CC#CC)C(C)C;SKOCUXJIQKGOFW-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163089;MM163089;C=C(CC#CC)C(C)N;QTOZVLDAPWJYLL-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163090;MM163090;C=COC=CC(=O)NNC;XMEUKHGLQYLJPC-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163091;MM163091;C=C(CC#CC)C(C)F;PLHSMDFQBGRIGW-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163092;MM163092;CC#CCC(=O)C(C)C;IWPLQYLAXPDXQZ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163093;MM163093;CC#CCC(=O)C(C)O;SWQGWGQHOXZESO-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163094;MM163094;CC#CCC(=O)C(C)F;QAOFDEQEPXMZBB-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163095;MM163095;CC#CCC(=N)N(C)C;YQAMHJIULLBMQE-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163096;MM163096;CC#CCC(=O)N(C)C;JBWQWMJEBCYRNJ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163097;MM163097;CC#CCC(=O)N(C)N;PZCZUMIIUQDUJG-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163098;MM163098;CC#CCC(=O)N(C)O;ZVKMRIIMXJVHKC-UHFFFAOYSA-N;127.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163099;MM163099;C=C(C)C(=C)CC#CC;MYTVFGSTXPHJTF-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163100;MM163100;C=C(CC#CC)C(C)=O;PWFDOXQEVMOYMA-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163101;MM163101;CC(O)C(O)C(F)C=NN;UCGHKFKUBVDCCJ-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163102;MM163102;C=C(CC#CC)C(=O)O;QNCQPSMEKGRIHA-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163103;MM163103;C=C(F)C(=C)CC#CC;HZZJZWSICMHQDQ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163104;MM163104;C=C(C)C(=O)CC#CC;WAWUGNKMCNAPNY-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163105;MM163105;CC#CCC(=O)C(C)=O;QEJJWLAKWKRFGF-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163106;MM163106;CC#CCC(=O)C(N)=O;OJVSRIBGUAPLPG-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163107;MM163107;CCC=CC(C)C(C)C;QFLLUBMHSLSUQO-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163108;MM163108;CC(C)C(C)C=CCN;CWIACNWXPMNAAP-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163109;MM163109;CCC=CC(C)C(C)N;MJFQUQGEUYNWEI-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163110;MM163110;CC(N)C(C)C=CCF;GKDJCKFBXHCJGN-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163111;MM163111;C=NNCC(O)(CO)CO;WYZMETHUIJRTIN-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163112;MM163112;CC(O)C(C)C=CCO;OKWOQQBHGDTKSV-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163113;MM163113;CC(F)C(C)C=CCN;CVCDZXSDXFILQO-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163114;MM163114;CC(F)C(C)C=CCF;YDRFQIANUYTXDZ-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163115;MM163115;CC(C=CCN)C(F)F;ARSJDXWLOSKPTG-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163116;MM163116;CCC=CC(N)C(C)C;SCPSZRDSHAKNHK-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163117;MM163117;CC(C)C(N)C=CCF;WPXSEPILPXPGTF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163118;MM163118;CCC=CC(N)C(C)N;UVFFPUOSTZTIPK-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163119;MM163119;CC(N)C(N)C=CCO;SIMRKFOVOHQDTO-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163120;MM163120;CC(N)C(N)C=CCF;PXVYWPCVHZCXBW-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163121;MM163121;CC(O)C(N)C=CCO;AYGKVQSUMJMNII-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163122;MM163122;CCC=CC(O)C(C)N;ZVUZDUVCZIDCAS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163123;MM163123;CC(N)C(O)C=CCF;UFUAUELGQYRIQE-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163124;MM163124;CCC=CC(O)C(C)O;VYGZDJXGWSVCRX-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163125;MM163125;CCC=CC(F)C(C)C;LCEXKRPZLJPTTN-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163126;MM163126;CC(C)C(F)C=CCN;FTKQOAJRUHXJMY-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163127;MM163127;CC(F)C(F)C=CCO;BAVFCQXUXANIBD-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163128;MM163128;OCC=CC(F)C(F)F;DRUKIYNNYCXASM-UHFFFAOYSA-N;140.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163129;MM163129;COC=CC(C)C(C)N;LNMHCRMKXQPAHY-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163130;MM163130;COC=CC(N)C(C)N;KDCGXMSCIQUMHG-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163131;MM163131;COC=CC(O)C(C)N;QJAAUFZSWZLZNK-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163132;MM163132;CNN=CC(C)C(C)C;FEDDPIAJTDRIMA-UHFFFAOYSA-N;128.22;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163133;MM163133;CNN=CC(C)C(C)N;YNXZIDDPGPZRTL-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163134;MM163134;CCC(CO)OC(=O)NN;PVRRAMGPDSKPBD-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163135;MM163135;CNN=CC(C)C(C)F;ABRIHHXPWXEZDN-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163136;MM163136;CNN=CC(N)C(C)N;ZOXXYKZCWZBHHW-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163137;MM163137;CNN=CC(O)C(C)N;KSZSTKMEEJOULK-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163138;MM163138;CC=C(CF)CC(=O)NN;CCBMYYQTIXNYQG-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163139;MM163139;CNN=CC(F)C(C)C;CLUWIVFPLSKLMV-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163140;MM163140;CNN=CC(F)C(C)N;ZCKOJRIIKXZJBU-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163141;MM163141;CNN=COCC(O)C=O;VEBIIVKDCXBRIA-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163142;MM163142;CON=CC(C)C(C)C;JKFQCZUJTRDVKW-UHFFFAOYSA-N;129.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163143;MM163143;CON=CC(N)C(C)N;VQOMGLSJRSGHBX-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163144;MM163144;CON=CC(N)C(C)O;AQGLRKOOEKFARY-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163145;MM163145;CON=CC(O)C(C)N;DRKOBTMNUBUZGZ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163146;MM163146;CCC=CC(C)N(C)C;OJGCCEMKXHVREK-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163147;MM163147;CC(C=CCN)N(C)C;PMJGDLRKYAMDKC-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163148;MM163148;CC(C=CCO)N(C)C;FKHSHWVZSNNAEV-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163149;MM163149;COC=CC(C)N(C)C;HPQGRPUPROZASP-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163150;MM163150;CCN=CN(N)C(C)C;LVSXCZOAZLQQGK-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163151;MM163151;CCC=NN(C)C(C)C;GVUDKVNBBOZKKY-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163152;MM163152;COC=NN(C)C(C)C;SWOJMLQRESZFDC-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163153;MM163153;C=CC=CC(C)C(C)C;NQFCXDVRSZSDAX-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163154;MM163154;CC(C)C(C)C=CC=O;XAYMCPRYMRZVSS-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163155;MM163155;CC(C)C(C)C=CC#N;NFDJTPMUPPERHX-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163156;MM163156;C=CC=CC(C)C(C)N;BLNPTEGXLYDXGC-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163157;MM163157;C=NOCC=CC(=O)NN;DFRIXHJTTTWISE-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163158;MM163158;CCC1(O)CC1NNC=O;UKTMRZHOZDQEOD-UHFFFAOYSA-N;144.17;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163159;MM163159;C#CC1CC(C(=O)NN)C1;NANYYOZKNKWKRQ-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163160;MM163160;C=CC=CC(C)C(C)F;CMHKNIAXGWFGJY-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163161;MM163161;CC(F)C(C)C=CC#N;IRBXMRMHGGUIJA-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163162;MM163162;CC(C=CC#N)C(F)F;LXDYNSXJYOBCFW-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163163;MM163163;C=CC=CC(N)C(C)C;FLBMYEJXWXVDAB-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163164;MM163164;C=CC=CC(N)C(C)F;CWHAULLCDUMFOV-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163165;MM163165;C=CC=CC(O)C(C)O;GNWBKRGDJREVRW-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163166;MM163166;C=CC=CC(O)C(C)F;HNGHKFLZQIBOIH-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163167;MM163167;CC(C)C(F)C=CC=O;CMALEKBXXBRMNQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163168;MM163168;CC(C)C(F)C=CC#N;YCOCESLRTGXKJX-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163169;MM163169;CC(O)C(F)C=CC#N;LUIQLZRPPIILJA-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163170;MM163170;C=NN=CC(C)C(C)C;UNGVSEMNICMHTM-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163171;MM163171;C=NN=CC(C)C(C)O;YLSRMTKUXKGGIW-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163172;MM163172;C=NN=CC(C)C(C)F;IATKWYYWGBCEPX-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163173;MM163173;C=NN=CC(N)C(C)C;CPGRMILLHKHGQI-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163174;MM163174;C=NN=CC(O)C(C)C;WLKKAVJMFUIWRR-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163175;MM163175;C=NN=CC(O)C(C)O;PSHYYAFTQSSRGB-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163176;MM163176;C=NN=CC(O)C(F)F;JZOAJWVTBKIHAA-UHFFFAOYSA-N;136.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163177;MM163177;C=NN=CC(F)C(C)C;KDXCEJKCPCJGMU-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163178;MM163178;C=NN=CC(F)C(C)F;KDZDOEWTLQZMLV-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163179;MM163179;CC(C=CC=O)N(C)C;HFYYSXPDTZICPV-UHFFFAOYSA-N;127.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163180;MM163180;CC(C)N(C)C=CC=O;NHCKUPIBRBZHOI-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163181;MM163181;CC(C)N(C)C=CC#N;VLTLLYBDNLTZGC-UHFFFAOYSA-N;124.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163182;MM163182;C=NN=CN(C)C(C)C;GFTHCCONJINNPX-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163183;MM163183;C=NN=CN(N)C(C)C;DNUWEZXQKOQBKS-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163184;MM163184;CC(O)CNC(=O)NN;ZXYNQRSKNBDUKI-UHFFFAOYSA-N;133.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163185;MM163185;CN(C)N(C)C=NC=O;FGLIKNNVDBESJW-UHFFFAOYSA-N;129.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163186;MM163186;C#CC=CC(C)C(C)C;NJPDUAGOADOSIU-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163187;MM163187;C#CC=CC(C)C(C)N;HJKLVEXIWOIWPY-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163188;MM163188;CC1(OC(=O)NN)CC1;VGQSIHMWIGYRIK-UHFFFAOYSA-N;130.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163189;MM163189;C#CC=CC(C)C(C)F;SCHUWTPHAGIGOM-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163190;MM163190;C#CC=CC(O)C(C)F;DEGNUHHMIBGJJN-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163191;MM163191;C#CC=CC(F)C(C)C;IUBBTRDRUSWYIY-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163192;MM163192;C=C(C)C(C)C=CCC;URINIELDLSFRGB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163193;MM163193;C=C(C)C(C)C=CCN;YKUGFSZDUSFCQM-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163194;MM163194;CCC=CC(C)C(C)=O;XPLOASGINJRAFI-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163195;MM163195;CCC=CC(C)C(=N)N;LNSJFUQLRMSELH-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163196;MM163196;CC(C=CCO)C(=N)N;CGGWCEILNUAURB-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163197;MM163197;CC(=O)CCNNC=O;IQMAYECYJCUIHI-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163198;MM163198;CC(C=CCN)C(N)=O;KYNLDJVVXWTJJI-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163199;MM163199;CC(C=CCO)C(N)=O;YYBFZZAIEHRCLJ-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163200;MM163200;CCC=CC(C)C(=O)O;XTQLWNAWEPKOLB-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163201;MM163201;CC(C=CCF)C(=O)O;IAUGPWIYBOLGFL-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163202;MM163202;C=C(F)C(C)C=CCN;VDKSUDSFMRIKKB-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163203;MM163203;C=C(C)C(N)C=CCC;BIPHUYIQEMUSFP-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163204;MM163204;C=C(C)C(N)C=CCF;OVIZUOHUNNKGQZ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163205;MM163205;N=C(N)C(N)C=CCF;MRMNHEGPJRASGU-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163206;MM163206;CCC=CC(O)C(=N)N;FHLSICDOFAWPGM-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163207;MM163207;N=C(N)C(O)C=CCO;ZZTZPWXIBVFNAH-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163208;MM163208;CCC=CC(O)C(N)=O;VTOOKYYKHLAGRY-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163209;MM163209;NC(=O)C(O)C=CCO;XQKAHSYNWCPAOG-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163210;MM163210;C=C(C)C(F)C=CCC;AGWWMXGACZTPND-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163211;MM163211;C=C(C)C(F)C=CCF;SVNKHKNXRGPILH-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163212;MM163212;CC(=O)C(F)C=CCF;GMLKURLDTAYTKA-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163213;MM163213;C#Cc1c[nH]n(C=O)c1=N;IULIHHRCNAWKOR-UHFFFAOYSA-N;135.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163214;MM163214;C=C(F)C(F)C=CCO;ZXVNCXVJHNWYMD-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163215;MM163215;C=C(F)C(C)C=COC;ADTDUTVLDFPVBD-UHFFFAOYSA-N;130.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163216;MM163216;C=C(C)C(N)C=COC;AEVREBBISRPCDM-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163217;MM163217;COC=CC(O)C(=N)N;PVYJKGUEDCLYRI-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163218;MM163218;N#CC(C=CC(N)=O)=NO;BFTLKVKGXNOTNB-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163219;MM163219;C=C(F)C(O)C=COC;SOQIQFXTFPIDQR-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163220;MM163220;C=C(C)C(F)C=COC;KXMGDRBQGPBHAP-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163221;MM163221;C=C(C)C(C)C=NNC;LCLJOEDPXHSUBL-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163222;MM163222;N#CCC(CO)=NO;HSNPJBXPGCBXIF-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163223;MM163223;C=C(F)C(C)C=NNC;AGCZCFWIZKEKHY-UHFFFAOYSA-N;130.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163224;MM163224;C#CCCC(=O)NNC;SUZNVDMVDXOGIM-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163225;MM163225;C=C(C)C(C)C=NOC;KCKIQFWTNIFDGF-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163226;MM163226;CON=CC(C)C(=N)N;JYCDOSPGWHPPIU-UHFFFAOYSA-N;129.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163227;MM163227;C=C(F)C(C)C=NOC;YNAXJRUNRKNBSX-UHFFFAOYSA-N;131.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163228;MM163228;CON=CC(N)C(=N)N;DIFNNTMRHMLYEO-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163229;MM163229;CON=CC(O)C(C)=O;DZMDCLFUVNMDMK-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163230;MM163230;Cc1cc(O)nn1O;FRVFPCMQFBSNFX-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163231;MM163231;C=C(C)C(F)C=NOC;TXJJPLTWIXMULL-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163232;MM163232;CCC=CN(C)C(C)=N;IFOLWUGTNMRMBH-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163233;MM163233;CCC=CN(C)C(C)=O;YXEYJXHWNKHSAH-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163234;MM163234;CC(=O)N(C)C=CCF;WPYRLDPOIOYMAP-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163235;MM163235;CCC=CN(C)C(=N)N;OSUTXZMLQFNETD-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163236;MM163236;CN(C=CCO)C(=N)N;RAMCUTCQKJUJLO-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163237;MM163237;CCC=CN(C)C(N)=O;HWMFUOSRSSTKTP-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163238;MM163238;CN(C=CCO)C(N)=O;HQDYDYYEWRKZCZ-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163239;MM163239;CC(=N)N(N)C=CCO;FQXJTEFQEMBAGR-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163240;MM163240;CC(=N)N(N)C=CCF;GDSQCUAKKCIXST-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163241;MM163241;CCC=CN(N)C(C)=O;UJJSIUNJVAMOGD-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163242;MM163242;CC(C=O)CNNC=O;HSYVGQGTLZXLRB-UHFFFAOYSA-N;130.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163243;MM163243;N=C(N)N(N)C=CCO;RAXNJWWQPAIARB-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163244;MM163244;COCCNC(=O)NN;SPGGZMJCZCMERJ-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163245;MM163245;CNN=CCC(=O)NN;QHSNHFNXBQAZCM-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163246;MM163246;CCC=CN(O)C(C)=N;NSHVAAWMKSNPQB-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163247;MM163247;CCC=CN(O)C(C)=O;YDHKETQOBYRPGR-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163248;MM163248;CC(=O)N(O)C=CCO;IPARTFCRUGEZEY-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163249;MM163249;N=C(N)N(O)C=CCN;WRWXYWZDAZLBFK-UHFFFAOYSA-N;130.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163250;MM163250;N=C(N)N(O)C=CCO;IUHOCSSTJVTAMY-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163251;MM163251;NCC=CN(O)C(N)=O;WKZFMDOEBQUNAC-UHFFFAOYSA-N;131.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163252;MM163252;NC(=O)N(O)C=CCO;POAHURPKGUDKBA-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163253;MM163253;NC(=O)N(O)C=CCF;YAVZRCQAIUERCJ-UHFFFAOYSA-N;134.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163254;MM163254;COC=CN(C)C(C)=N;DUUFFXXTFAFKBD-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163255;MM163255;COC=CN(N)C(C)=N;AOJMXXDYBXUIAX-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163256;MM163256;COC=CN(N)C(C)=O;MYWBISPGZLVEDR-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163257;MM163257;COC=CN(N)C(=N)N;LJNAFUONCAOPKD-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163258;MM163258;CCCN(N)C(=O)NN;WOFVBQCFLIRCJZ-UHFFFAOYSA-N;132.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163259;MM163259;CCN=CN(C)C(=N)N;VUXCKHVQEXIHGV-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163260;MM163260;CN=C(N)C(=O)CC#N;YSURUXLSKYWKNQ-UHFFFAOYSA-N;125.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163261;MM163261;CCN=CN(N)C(C)=N;FFWJIULCERKZIX-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163262;MM163262;CCN=CN(N)C(C)=O;GHQVDWQIRYNWCY-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163263;MM163263;CCN=CN(N)C(=N)N;QTGCSHSAHTXKPH-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163264;MM163264;CCN=CN(O)C(=N)N;BOCLYDDYBSXMCY-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163265;MM163265;CCN=CN(O)C(N)=O;UBGQENKFCRMCGH-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163266;MM163266;CNN=CN(C)C(C)=N;ZHNXMPCDTWGCEP-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163267;MM163267;CNN=CN(N)C(C)=N;RZKKZJOVZKDOCN-UHFFFAOYSA-N;129.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163268;MM163268;N#CCc1cc(N)n[nH]1;NUPSRNRSAGEAMN-UHFFFAOYSA-N;122.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163269;MM163269;CON=CN(C)C(N)=O;IQQGORLKUZOJJH-UHFFFAOYSA-N;131.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163270;MM163270;C=C(C)N(N)C=NOC;PYNYBVLDCOMWDD-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163271;MM163271;CON=CN(N)C(C)=O;UMLWUTIGCAKYOG-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163272;MM163272;CCC=NN(C)C(C)=O;IMCIDEUTRHWWKO-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163273;MM163273;Cc1cc(C=NN)[nH]n1;UPFBRUKFYNDEIF-UHFFFAOYSA-N;124.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163274;MM163274;CN(N=CCN)C(=N)N;LZHPJAOOBAUCKQ-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163275;MM163275;CN(N=CCO)C(=N)N;LZYIHYQBWQWFKS-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163276;MM163276;CN(N=CCN)C(N)=O;VDKBXQNAABNKTB-UHFFFAOYSA-N;130.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163277;MM163277;Cc1c(NO)n[nH]c1F;VVXHKKKOEOUAJY-UHFFFAOYSA-N;131.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163278;MM163278;C=C(C)C(C)C=CC=O;ICNRSWFEDHQYGQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163279;MM163279;C=C(C)C(C)C=CC#N;IBWIUMZOQXDOCS-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163280;MM163280;C=CC=CC(C)C(C)=O;CIUKBAOJGREORQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163281;MM163281;CC(=O)C(C)C=CC=O;VIGWMKWHUGBDOZ-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163282;MM163282;CC(=O)C(C)C=CC#N;MDEMGLMKTQOPCN-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163283;MM163283;C=CC=CC(C)C(=N)N;WTTALFAYGKXUOE-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163284;MM163284;C=CC(=NO)NC1CC1;HCZVQYMLSWCLQR-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163285;MM163285;CC(C=CC=O)C(N)=O;BRCHPHZERUYCLD-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163286;MM163286;CC(C=CC#N)C(N)=O;FVBHUPPPAUWOIG-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163287;MM163287;C=CC=CC(C)C(=O)O;BFNAVDGAMZHSKZ-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163288;MM163288;CN=c1ncc(=O)n(O)o1;FESHIWVLIRRHAI-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163289;MM163289;C=C(F)C(C)C=CC#N;PXCDXWBHKHGVMV-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163290;MM163290;C=CC=CC(N)C(=C)C;GMTNIRYGJBORCJ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163291;MM163291;CC(=O)C(O)C=CC=O;DZQWTPNDEKAEJG-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163292;MM163292;N=C(N)C(O)C=CC=O;DBBGAXKNJLOSBM-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163293;MM163293;N#CC=CC(O)C(=N)N;BAJHZGFTJXWKMQ-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163294;MM163294;NC(=O)C(O)C=CC=O;LZPUZYCVIHMZSB-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163295;MM163295;N#CC=CC(O)C(N)=O;GCXKGQOELDSUDQ-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163296;MM163296;C=CC=CC(F)C(=C)C;VXXGKHMNJHHEHQ-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163297;MM163297;C=C(C)C(F)C=CC=O;IDDXGKFSMIFRHJ-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163298;MM163298;C=C(C)C(F)C=CC#N;SOBJYBQYELONPR-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163299;MM163299;C=CC=CC(F)C(C)=O;CVGJAWAQTVJOTP-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163300;MM163300;CC(=O)C(F)C=CC#N;YGIKNLJIRIKYJC-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163301;MM163301;NC(=O)C(F)C=CC=O;LOZBLTTWZQTLJL-UHFFFAOYSA-N;131.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163302;MM163302;N#CC=CC(F)C(N)=O;POQBFOGNBVPQCJ-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163303;MM163303;CC(C)C(O)(C=NN)CO;DLIOBHKGXNJKMV-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163304;MM163304;C=NN=CC(C)C(=N)N;YIRIJMJGJYHPTK-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163305;MM163305;C=NN=CC(C)C(=C)F;JTFPQOGZFXWXQH-UHFFFAOYSA-N;128.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163306;MM163306;C=NN=CC(N)C(=N)N;WVGCIUVWBQVTIC-UHFFFAOYSA-N;127.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163307;MM163307;C=NN=CC(O)C(=C)C;GPQBQZMUGVREFU-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163308;MM163308;C=NN=CC(O)C(=N)N;IFSINSOLRYQVTD-UHFFFAOYSA-N;128.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163309;MM163309;C=NN=CC(O)C(=C)F;OEZFTBUMTLRQIY-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163310;MM163310;C=NN=CC(F)C(=C)C;CSJQBHJTOQAXMX-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163311;MM163311;C=NN=CC(F)C(C)=O;VLHKAQQQUMRTEH-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163312;MM163312;C=NN=CC(F)C(=C)F;OVEQDEPDJPLJFP-UHFFFAOYSA-N;132.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163313;MM163313;C=CC=CN(C)C(C)=N;WCIMVFQYOFBYRX-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163314;MM163314;CC(=N)N(C)C=CC=O;SOPWVXHYZQMPKR-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163315;MM163315;CC(=N)N(C)C=CC#N;KHXKHJYDNAIRND-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163316;MM163316;C=CC=CN(C)C(C)=O;WLTKFGTTWSWWJQ-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163317;MM163317;C=CC=CN(C)C(N)=O;ILYMDBQBWDZOIS-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163318;MM163318;C=CC=CN(N)C(C)=O;SGVIUBVCOIORTG-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163319;MM163319;CC(=N)N(O)C=CC=O;DYXKSYLERSCXQR-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163320;MM163320;C=CC=CN(O)C(C)=O;WHZPCSFPJKKEGH-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163321;MM163321;N=C(N)N(O)C=CC=O;IGTFFYQKXPKKJL-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163322;MM163322;NC(=O)N(O)C=CC=O;ZGHJPURPZBRTGX-UHFFFAOYSA-N;130.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163323;MM163323;N#CC=CN(O)C(N)=O;QKFBZFSFJHWVIJ-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163324;MM163324;CC(=N)N(C)C=NC=N;JUFAHCGJIACFNL-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163325;MM163325;CN(C=NC=O)C(N)=O;QCSXEMGSRLKPTH-UHFFFAOYSA-N;129.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163326;MM163326;CC(=O)N(N)C=NC=N;STKJPPXANUZPEF-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163327;MM163327;CC(=O)N(N)C=NC=O;HVXVHFGWCJFYAI-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163328;MM163328;N=CN=CN(N)C(=N)N;YVSAHSFDFJYTJH-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163329;MM163329;N=C(N)N(N)C=NC=O;RCIMMQSDGZPXTG-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163330;MM163330;C=NN=CN(C)C(=C)C;UDYQVHKFKAAGLZ-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163331;MM163331;C=NN=CN(C)C(C)=N;LKLAZJBYAASUEC-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163332;MM163332;C=NN=CN(N)C(=N)N;JUVOKOXZZWHWGO-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163333;MM163333;C=C(CO)CNNC(C)=O;SVGZXDVGJDWMII-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163334;MM163334;C=CC=NN(C)C(=N)N;ODWZVBCGJLNFJP-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163335;MM163335;CN(N=CC=O)C(=N)N;BJGJHNLFYIDCTR-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163336;MM163336;CN(N=CC=O)C(N)=O;HFJMNGXUVIAXSW-UHFFFAOYSA-N;129.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163337;MM163337;C#CC=CC(C)C(=N)N;OUAFGIRLWUWXFS-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163338;MM163338;C#CC=CC(N)C(=C)C;LZJQZASVCHIMOX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163339;MM163339;C#CC=CC(N)C(=N)N;PNBIRKXIHKLSPV-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163340;MM163340;C#CC=CC(O)C(=N)N;LHIFKWKQPSLORG-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163341;MM163341;C#CC=CC(O)C(N)=O;BVZSTJXDIRTEHR-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163342;MM163342;C#CC=CC(F)C(=C)C;WPDTZLWFWKKJRC-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163343;MM163343;C#CC=CC(F)C(C)=O;TZVXXUMIAZQEHS-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163344;MM163344;C#CC=CN(C)C(C)=N;UAAZDNNQCBLQSN-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163345;MM163345;C#CC=CN(C)C(C)=O;XMSNIKCOPGLRNE-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163346;MM163346;C#CC=CN(C)C(=N)N;MMZPQHKVOFOXLU-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163347;MM163347;C#CC=CN(N)C(=N)N;JWYQNMHJRUTFGN-UHFFFAOYSA-N;124.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163348;MM163348;CNC(=O)NN(C)C=NN;UJGVXYJZFOMANT-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163349;MM163349;C#CC=CN(O)C(N)=O;JGISJUPLJHURRL-UHFFFAOYSA-N;126.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163350;MM163350;C=C(C=CCC)C(C)C;AFUBTSKXPBZLDZ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163351;MM163351;C=C(C=CCN)C(C)C;MAONKYPANZZZRR-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163352;MM163352;C=C(C=CCO)C(C)C;KVRAZCSZEGDYIM-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163353;MM163353;C=C(C=CCF)C(C)C;LLVGKLGJCSUNTP-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163354;MM163354;C=C(C=CCC)C(C)N;OGRBAUOPAUCHQM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163355;MM163355;C=C(C=CCF)C(C)N;OWZFVTZGXRTDTO-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163356;MM163356;CNNC(=O)C=C(N)CO;DYLSDIFEWBWFMO-UHFFFAOYSA-N;145.16;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163357;MM163357;C=C(C=CCO)C(C)O;PVZYTLKTJMSSGB-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163358;MM163358;C=C(C=CCC)C(C)F;FNKXXYHCBSQGSK-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163359;MM163359;CCC=CC(=O)C(C)C;YXDHNLJRDOGKKB-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163360;MM163360;CC(C)C(=O)C=CCO;WYXIFPOBKPDRNP-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163361;MM163361;CC(C)C(=O)C=CCF;FLLNVSPYLQNZBG-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163362;MM163362;CC(O)C(=O)C=CCO;YCQQLMVJBKTFLK-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163363;MM163363;CCC=CC(=O)C(C)F;DHYXLCFVMQEIBC-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163364;MM163364;CC(F)C(=O)C=CCO;DLKUPONFJFQJSG-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163365;MM163365;CNC=CC(=O)C(C)O;UIYKYEFLYBKTTG-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163366;MM163366;C=C(C=COC)C(C)N;FPZQOLLIHJNPTA-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163367;MM163367;C=C(C=COC)C(C)O;MDHVIPGFNOIKRI-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163368;MM163368;CNN=CC(=O)C(C)O;NYWHRVRADZOJGC-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163369;MM163369;CNN=CC(=O)C(F)F;NZFQHNFXFCBZSH-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163370;MM163370;C=C(C=NOC)C(C)C;KEAFMMLVCRZDOQ-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163371;MM163371;C=C(C=NOC)C(C)F;HRLFWVDCWCTTFR-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163372;MM163372;CON=CC(=O)C(C)O;ZJLNBJVRTHJKNF-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163373;MM163373;CN(C)C(=N)C=CCO;BAYKYGWFRATRFF-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163374;MM163374;CN(N)C(=N)C=CCO;AWTNKAIHPQKEJZ-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163375;MM163375;CN(O)C(=N)C=CCO;GETDMRJSYBTYFX-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163376;MM163376;CN(O)C(=N)C=CCF;QZAOKHVQJNFPRI-UHFFFAOYSA-N;132.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163377;MM163377;CCC=CC(=O)N(C)C;OCXNMCFQKDITKV-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163378;MM163378;CC(=O)NN(C)C1(C)CC1;VUHZAGFAKPSAHN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163379;MM163379;CN(O)C(=O)C=CCO;BGSNUSQEQWZORK-UHFFFAOYSA-N;131.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163380;MM163380;CNC=CC(=N)N(C)C;PJMFJUCVFGJBEC-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163381;MM163381;CNC=CC(=N)N(C)N;UOJAJZGHVKPGFV-UHFFFAOYSA-N;128.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163382;MM163382;CNC=CC(=O)N(C)C;MGNMHJPOUPUGRD-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163383;MM163383;CNC=CC(=O)N(C)N;YFAXMTLCQUXYKY-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163384;MM163384;CNC=CC(=O)N(C)O;YCHUSWZXYSPRDK-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163385;MM163385;CON=CC(=N)N(C)C;LCPUNZUUMJQYIA-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163386;MM163386;C=CC=CC(=C)C(C)C;ATOAJTIQQWVXIB-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163387;MM163387;C=C(C=CC=O)C(C)C;LJMBBJZOSIOAAY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163388;MM163388;C=C(C=CC#N)C(C)C;LFNSDKHKISISMK-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163389;MM163389;C=CC=CC(=C)C(C)N;RRZGLZIFZMFOMI-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163390;MM163390;CN(C)NC(=O)C1(C)CC1;FEZIFHGHITXDON-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163391;MM163391;C=CC=CC(=C)C(C)F;XEAKVVKACJAJMT-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163392;MM163392;C=C(C=CC=O)C(C)F;MNGHZGCATFUJQH-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163393;MM163393;C=C(C=CC#N)C(C)F;RHAUOAVNGSVUKD-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163394;MM163394;C=CC=CC(=O)C(C)C;QHYSBEHKFPNBSH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163395;MM163395;CC(C)C(=O)C=CC=O;XQQMMKHYZYQABV-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163396;MM163396;CC(C)C(=O)C=CC#N;PMAVMYXKJQZEJY-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163397;MM163397;O=CC=CC(=O)C(F)F;MHCUECUTYCKPJS-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163398;MM163398;C=NN=CC(=C)C(C)C;QTSAZLAYJAAWAD-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163399;MM163399;C=NN=CC(=C)C(C)N;OOKBVQXPQQEQAF-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163400;MM163400;C=NN=CC(=C)C(C)O;IADVPCRBNANJPN-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163401;MM163401;C=NN=CC(=C)C(C)F;GQAHEXZYTHDYFE-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163402;MM163402;C=NN=CC(=O)C(C)C;GLFUQXYKRIICLY-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163403;MM163403;CN(C)C(=N)C=CC=O;SCMYNACEDBVSCA-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163404;MM163404;CN(O)C(=N)C=CC=O;LHKOQDOYBDMPSS-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163405;MM163405;C=CC=CC(=O)N(C)C;DXVBKHROWRLDMQ-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163406;MM163406;C=CC=CC(=O)N(C)N;SUOVVTCWXVTAMQ-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163407;MM163407;C=CC=CC(=O)N(C)O;XDGXAFIWJLHGAN-UHFFFAOYSA-N;127.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163408;MM163408;CN(O)C(=O)C=CC=O;AXQLHGIKXMMRDU-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163409;MM163409;C#CC=CC(=C)C(C)C;KFZRVFJDUDHUDC-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163410;MM163410;C#CC=CC(=C)C(C)N;YUTOSQYSRGKJHQ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163411;MM163411;N#CCNCC(O)C(N)=O;XSPORLHRZXPZNB-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163412;MM163412;C#CC=CC(=C)C(C)F;JEGJKDRVUQKCMH-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163413;MM163413;C#CC=CC(=C)C(F)F;ZVZUNCZMTFISQY-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163414;MM163414;C#CC=CC(=O)C(C)C;SOCMLRXGCYEZCA-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163415;MM163415;C#CC=CC(=O)C(F)F;DDZLFDFMSCGVLH-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163416;MM163416;C=C(C)C(=C)C=CCN;WGTBLPZSDJAQNF-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163417;MM163417;C=C(C)C(=C)C=CCO;LIZYSVKRXTZEJW-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163418;MM163418;C=C(C=CCC)C(C)=O;RRFSBHXDEDGGBC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163419;MM163419;C=C(C=CCF)C(C)=O;GXZMLKJTUDRMJF-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163420;MM163420;C=C(C=CCN)C(=N)N;MURAQYHUIFIIFY-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163421;MM163421;C=C(C)C(=O)C=CCC;GHIMWWXEXIYAIJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163422;MM163422;C=C(C)C(=O)C=CCF;VPJBCZULZIGASU-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163423;MM163423;NC(=O)C(=O)C=CCO;XPYHIANWCQEJQX-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163424;MM163424;NC(=O)C(=O)C=CCF;JWLZJTWEGBGPET-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163425;MM163425;C=C(C)C(=O)C=CNC;AYMSXQPKXMALHP-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163426;MM163426;CNC=CC(=O)C(C)=O;FQGYEFDGPQGGQE-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163427;MM163427;C=C(C)C(=O)C=COC;QQCIZFHBHXYROV-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163428;MM163428;C=C(F)C(=O)C=COC;ZMKOMGMDUWVSQS-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163429;MM163429;OCCC(O)C(CO)=NO;VIIROBUHALCCAN-UHFFFAOYSA-N;149.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163430;MM163430;C=C(F)C(=C)C=NNC;IDECVZCGULMVKI-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163431;MM163431;CC(F)(C=NO)CF;SCUXDUOGQUHCGG-UHFFFAOYSA-N;123.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163432;MM163432;C=C(C)C(F)CNNC=O;RTRUTWINJFTQBE-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163433;MM163433;C=C(C)C(=C)C=NOC;VUIYBZQIZJWRRI-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163434;MM163434;C=CC=CC(=C)C(=C)C;NABPMXRGVTZFHB-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163435;MM163435;C=C(C)C(=C)C=CC=O;SFJGOBQNQDUNBD-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163436;MM163436;C=C(C)C(=C)C=CC#N;LJLNMSPGJFLRGP-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163437;MM163437;C=CC=CC(=C)C(C)=O;ARFLRPHJFFJXRI-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163438;MM163438;C=C(C=CC=O)C(C)=O;JVQGGGBZOYSCPO-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163439;MM163439;C=CC=CC(=C)C(=N)N;TXKMDSJQHJSYOX-UHFFFAOYSA-N;122.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163440;MM163440;CN(C=O)CCC(=O)NN;IXCPKIVGBPJXRC-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163441;MM163441;C=C(F)C(=C)C=CC#N;CGKGXQDSIZISJB-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163442;MM163442;C=CC=CC(=O)C(=C)C;OZPRHICXFUEMAI-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163443;MM163443;C=C(C)C(=O)C=CC=O;MNYHSCMPZCVMIQ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163444;MM163444;CC(=O)C(=O)C=CC=O;IBESTNWVPUXDLK-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163445;MM163445;CC(=O)C(=O)C=CC#N;GWGVSNBPYGCNJE-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163446;MM163446;C=C(F)C(=O)C=CC#N;MNAVBCNBSAPUDK-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163447;MM163447;C=NN=CC(=C)C(=C)C;MIUOVUGGRDGIJX-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163448;MM163448;CC(=CCC(=O)NN)CF;UQNUMIZFFDJNTF-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163449;MM163449;C=NN=CC(=C)C(=C)F;WAEAPEDDSLVJKJ-UHFFFAOYSA-N;126.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163450;MM163450;C=NN=CC(=O)C(=C)C;SRABBILGDWFWON-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163451;MM163451;CCC1(O)CC1C(=O)NN;ONSOFDDEKLTWAY-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163452;MM163452;C#CC=CC(=C)C(=O)O;BHJDMZRRXFOSCG-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163453;MM163453;C#CC=CC(=O)C(=O)O;VBQATEJGPUVULK-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163454;MM163454;CCC#CC(C)C(C)C;MIGIDOGMJNGWCG-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163455;MM163455;CC(C)C(C)C#CCN;ZNXROUYDZYODGW-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163456;MM163456;CC(C)C(C)C#CCO;IFZYHECNIISHCG-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163457;MM163457;CC(C)C(C)C#CCF;OGKBRFSHHQVWBI-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163458;MM163458;CCC#CC(C)C(C)N;ZNYYTSSJTUITGG-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163459;MM163459;CC(N)C(C)C#CCN;NDQMSWNLTRUJGS-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163460;MM163460;CC(N)C(C)C#CCO;VENXWQOQSYLBJS-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163461;MM163461;CC(N)C(C)C#CCF;PWOVIFMGKINHOY-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163462;MM163462;C#CC1(O)CCN(N=C)C1;PNQMQSRSZUSEJM-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163463;MM163463;CC(O)C(C)C#CCO;BYTFHHHHVGUDTA-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163464;MM163464;C=CC1(O)CNC1(C)C#N;CXQKNQWDISNSIU-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163465;MM163465;CCC#CC(C)C(C)F;MXAWGMCPBSHITM-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163466;MM163466;CC(F)C(C)C#CCO;SMBDIOKBFTXTLU-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163467;MM163467;CC(F)C(C)C#CCF;MBRXETLAZTXMBF-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163468;MM163468;CCC#CC(C)C(F)F;CWBVIDCWRKCHJC-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163469;MM163469;CC(C#CCN)C(F)F;WWNSEESAXYGGAX-UHFFFAOYSA-N;133.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163470;MM163470;CC(C#CCO)C(F)F;RUGYWTRYQGKDSK-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163471;MM163471;CCC#CC(N)C(C)C;MFSGBRMLKIFRNE-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163472;MM163472;CC(C)C(N)C#CCN;UDYBGUIAYCIQPK-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163473;MM163473;CC(C)C(N)C#CCF;VIQJJIBCGMYXLE-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163474;MM163474;CC(N)C(N)C#CCN;POWXIQTVJJBAOK-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163475;MM163475;CC(N)C(N)C#CCO;AQJNRMZSKWLOSJ-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163476;MM163476;CC(O)C(N)C#CCN;VGCSEYGPDXUPBS-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163477;MM163477;CC(O)C(N)C#CCF;MDDQLWVZWBIRAE-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163478;MM163478;C=CC(CO)NC(=O)NN;FGEHFEUIYGTFKW-UHFFFAOYSA-N;145.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163479;MM163479;CCC#CC(O)C(C)C;DTYLPPMSBVTIQG-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163480;MM163480;CC(C)C(O)C#CCF;YIBAQNIELLLMIY-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163481;MM163481;CC(N)C(O)C#CCN;MHTZQTNHDKGOCL-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163482;MM163482;CC(N)C(O)C#CCO;VKWUIRXKLAZZNV-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163483;MM163483;CC(N)C(O)C#CCF;UEVXFGCNYXHLAG-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163484;MM163484;CC(O)C(O)C#CCN;NTMBQSWBEGOIGE-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163485;MM163485;CC(O)C(O)C#CCO;DBDSMBKHGGNCRO-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163486;MM163486;CCC#CC(O)C(C)F;OZURKIKRXPSGCJ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163487;MM163487;CCC#CC(O)C(F)F;ZTLTVGPTLICDDQ-UHFFFAOYSA-N;134.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163488;MM163488;OC(C#CCF)C(F)F;YEKRSBXINOPGPY-UHFFFAOYSA-N;138.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163489;MM163489;CCC#CC(F)C(C)C;XPERGKTUGRVNQP-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163490;MM163490;CC(C)C(F)C#CCN;AYZNVYBVTGJFHD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163491;MM163491;CC(C)C(F)C#CCO;IVABHGHKQSSBAO-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163492;MM163492;CC(C)C(F)C#CCF;VUGPZGGNWZWPKP-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163493;MM163493;CCC#CC(F)C(C)N;SEKDRVRNNSDNGU-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163494;MM163494;CCC#CC(F)C(C)O;ZEPVEVDKVKQMFE-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163495;MM163495;CCC#CC(F)C(C)F;VXSRAVNUTABNQE-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163496;MM163496;CC(F)C(F)C#CCF;JHMAYTBWLBDOOQ-UHFFFAOYSA-N;136.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163497;MM163497;CCC#CC(F)C(F)F;JMPUDGIFRALEHT-UHFFFAOYSA-N;136.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163498;MM163498;NCC#CC(F)C(F)F;HCNJVXZELJVQFX-UHFFFAOYSA-N;137.1;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163499;MM163499;CCC#CC(C)N(C)C;QRNOQNFYIXEIQU-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163500;MM163500;CC(C#CCF)N(C)C;UUEPFFFEHDMDCT-UHFFFAOYSA-N;129.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163501;MM163501;C=CC#CC(C)C(C)C;HULOJANBNPCTGC-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163502;MM163502;CC(C)C(C)C#CC=O;UWALDLCKNAEHRR-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163503;MM163503;CC(C)C(C)C#CC#N;PTUSOZXPPNCGRJ-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163504;MM163504;C=CC#CC(C)C(C)N;ISKKPIJTNSONIB-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163505;MM163505;C=CC(C=C)NNC(N)=O;ZPSVCIUMRZHTIZ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163506;MM163506;C=NNCC(O)C(=O)C=O;CGCKAEQCJRMTAM-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163507;MM163507;CC(O)C(C)C#CC#N;JJIMYKVGELBWSX-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163508;MM163508;C=CC#CC(C)C(C)F;YFKXGLPUTPWASN-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163509;MM163509;CC(F)C(C)C#CC=O;MHQGNLUJZNIFSE-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163510;MM163510;CC(F)C(C)C#CC#N;SILMVIUZYUZIBT-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163511;MM163511;C=CC#CC(C)C(F)F;MEAMAXGZMZUAKP-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163512;MM163512;CC(C#CC#N)C(F)F;YPJVSXSJTAZQFU-UHFFFAOYSA-N;129.11;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163513;MM163513;C=CC#CC(N)C(C)C;PZOJOMSLKGDGMQ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163514;MM163514;C=CC#CC(O)C(C)C;YNNOGFVQYFUGIX-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163515;MM163515;CC(C)C(O)C#CC#N;MCHKCLFXHRPGHA-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163516;MM163516;CC(O)C(O)C#CC=O;MVYOAVLSWSWHSM-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163517;MM163517;C=CC#CC(O)C(C)F;CKYLRWZKKYNPLR-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163518;MM163518;CC(F)C(O)C#CC#N;VDRWCKUMYYZXCV-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163519;MM163519;C=CC#CC(O)C(F)F;PSAUTRVUCJRGNU-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163520;MM163520;C=CC#CC(F)C(C)C;GKTDVHOFDSGZNU-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163521;MM163521;CC(C)C(F)C#CC=O;YVYIFCQAVBQVNU-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163522;MM163522;CC(C)C(F)C#CC#N;SWVFGWIJQHLREO-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163523;MM163523;C=CC#CC(F)C(C)O;YWRRRUSZLVOEBA-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163524;MM163524;C=CC#CC(F)C(C)F;BFYDVVVAZJCWMD-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163525;MM163525;CC(F)C(F)C#CC=O;LIMRMSPVYYCUQR-UHFFFAOYSA-N;132.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163526;MM163526;CC(F)C(F)C#CC#N;IRPBLPJPZYZQBT-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163527;MM163527;C=CC#CC(F)C(F)F;YTVZFIWWXGYOEY-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163528;MM163528;O=CC#CC(F)C(F)F;CKTBTZCVEDGOJD-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163529;MM163529;N#CC#CC(F)C(F)F;QBSUVVLTGWYXAT-UHFFFAOYSA-N;133.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163530;MM163530;C=CC#CC(C)N(C)C;UGDFBEDNZGMGBN-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163531;MM163531;C#CC#CC(C)C(C)C;RWYXETXFMCFUGW-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163532;MM163532;C#CC#CC(C)C(C)N;HAROGIJJOUXTGO-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163533;MM163533;C=CN(C)C(=O)NNCC;PSKXUEJNAUQBOB-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163534;MM163534;C#CC#CC(C)C(C)F;BHEOCUKEANALBC-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163535;MM163535;C#CC#CC(C)C(F)F;KDNPJEXVPXCZIM-UHFFFAOYSA-N;128.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163536;MM163536;C#CC#CC(N)C(C)C;MOAPCICXVJAFRJ-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163537;MM163537;C=C(CO)C(=O)NNCC;JZMKCTQRAUREQR-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163538;MM163538;C#CC#CC(O)C(C)C;FJDFOBBJLLRUAK-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163539;MM163539;C#CC#CC(O)C(C)O;HCZNDDDSXXMRST-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163540;MM163540;C#CC#CC(O)C(C)F;MQIPVBPRAFQGBN-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163541;MM163541;C#CC#CC(O)C(F)F;KGAWOSFCCJYTDN-UHFFFAOYSA-N;130.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163542;MM163542;C#CC#CC(F)C(C)C;OLNOWOXRMOAHRC-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163543;MM163543;C#CC#CC(F)C(C)N;DBVZUHKZFDBVJM-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163544;MM163544;C#CC#CC(F)C(C)O;GDUGTZXFKKEMJZ-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163545;MM163545;C#CC#CC(F)C(C)F;GIFXEOXKFVQLBU-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163546;MM163546;C#CC#CC(F)C(F)F;FUYIUYXQSSAOSP-UHFFFAOYSA-N;132.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163547;MM163547;C=C(C)C(C)C#CCC;NCWZCMVAZTYJGG-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163548;MM163548;C=C(C)C(C)C#CCN;BTZMRZQRAJTPTD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163549;MM163549;C=C(C)C(C)C#CCF;KOCMCPDOMIQURS-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163550;MM163550;CCC#CC(C)C(C)=O;CZFXNXDCQFVGKQ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163551;MM163551;CC(=O)C(C)C#CCF;ABQNWOJQAHZIBJ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163552;MM163552;CCC#CC(C)C(=N)N;LIZBJCVJGBRGRQ-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163553;MM163553;CC(C#CCN)C(=N)N;DJRPRSGSXNWPDP-UHFFFAOYSA-N;125.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163554;MM163554;CC(C#CCO)C(=N)N;ZHXPIRUJMPMPMA-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163555;MM163555;CC(C#CCF)C(=N)N;DLEUIXDZTFJGMX-UHFFFAOYSA-N;128.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163556;MM163556;CCC#CC(C)C(N)=O;SSILVBOUNLGQTA-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163557;MM163557;CC(C#CCN)C(N)=O;MHGZXMQYUAWHCC-UHFFFAOYSA-N;126.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163558;MM163558;CC(C#CCO)C(N)=O;CRDRAJFWCNZNAT-UHFFFAOYSA-N;127.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163559;MM163559;CCC#CC(C)C(=O)O;UKOXURKKFZYUDY-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163560;MM163560;CC(C#CCF)C(=O)O;GQIDZINUXRPMMP-UHFFFAOYSA-N;130.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163561;MM163561;C=C(F)C(C)C#CCC;WCLAYTFNNIHAJY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163562;MM163562;C=C(F)C(C)C#CCF;VFEHCDMLVDYXCJ-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163563;MM163563;C=C(C)C(N)C#CCC;YRFHXCXACDVBTA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163564;MM163564;C=C(C)C(N)C#CCN;GQGQBYCJDTVFPE-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163565;MM163565;CCC#CC(N)C(=N)N;WVQDWHRKSKFRQT-UHFFFAOYSA-N;125.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163566;MM163566;N=C(N)C(N)C#CCN;GOSSRAWKLZVSEA-UHFFFAOYSA-N;126.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163567;MM163567;N=C(N)C(N)C#CCO;TZKQTHQPVWBLKM-UHFFFAOYSA-N;127.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163568;MM163568;N=C(N)C(N)C#CCF;WJRHDQKMKXBMCB-UHFFFAOYSA-N;129.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163569;MM163569;NCC#CC(N)C(N)=O;WFIGQHTXAJGKEN-UHFFFAOYSA-N;127.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163570;MM163570;C=C(C)C(O)C#CCC;WXLYBPCRYXDTRX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163571;MM163571;C=C(C)C(O)C#CCN;YDUQQKQSPHXJSJ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163572;MM163572;C=C(C)C(O)C#CCO;ZDHMIYDMPKWNGD-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163573;MM163573;C=C(C)C(O)C#CCF;DUNAVPLOCGSAPD-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163574;MM163574;CCC#CC(O)C(C)=O;ILBFQMKTDZHKJW-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163575;MM163575;CC(=O)C(O)C#CCO;IMUFEJDFZDWNRG-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163576;MM163576;CC(=O)C(O)C#CCF;SIPBJEQZQNEJLS-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163577;MM163577;CCC#CC(O)C(=N)N;VWROXTPJKIHGIS-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163578;MM163578;N=C(N)C(O)C#CCN;ABIXVJHJLQKZLF-UHFFFAOYSA-N;127.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163579;MM163579;N=C(N)C(O)C#CCO;POJFLYAVJZPDAV-UHFFFAOYSA-N;128.13;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163580;MM163580;N=C(N)C(O)C#CCF;BDIPHZVXRQIQLG-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163581;MM163581;CCC#CC(O)C(N)=O;WVWYQBVWWWVCJY-UHFFFAOYSA-N;127.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163582;MM163582;NC(=O)C(O)C#CCO;QXGWZBFTRPHCEP-UHFFFAOYSA-N;129.12;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163583;MM163583;NC(=O)C(O)C#CCF;GNMDZOTWEZKGNN-UHFFFAOYSA-N;131.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163584;MM163584;N=c1ncc(=O)n(O)o1;DHFBLQODPIXRIQ-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163585;MM163585;C=C(F)C(O)C#CCN;ZNULDUCSTFKLNV-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163586;MM163586;C=C(F)C(O)C#CCF;LPFJUISGHYEDPS-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163587;MM163587;C=C(C)C(F)C#CCC;CDNSRMQEECWHTQ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163588;MM163588;C=C(C)C(F)C#CCO;SNSZMBKGFADVME-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163589;MM163589;C=C(C)C(F)C#CCF;WNOVCPVLZNWCDN-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163590;MM163590;CCC#CC(F)C(C)=O;MLXLNWRUALUJRH-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163591;MM163591;CC(=O)C(F)C#CCF;DTFYQWYMBLGEQA-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163592;MM163592;N=C(N)C(F)C#CCN;XCPDHKVVKWDMOT-UHFFFAOYSA-N;129.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163593;MM163593;CCC#CC(F)C(N)=O;UDAOFNNTPUPJTA-UHFFFAOYSA-N;129.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163594;MM163594;NCC#CC(F)C(N)=O;KJVGJKYOHQCRQS-UHFFFAOYSA-N;130.12;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163595;MM163595;NC(=O)C(F)C#CCO;QXSBVJSPXCJNOX-UHFFFAOYSA-N;131.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163596;MM163596;CCC#CC(F)C(=O)O;HCXGDVFAEFLYCE-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163597;MM163597;C=C(F)C(F)C#CCC;YRSJQJMAAHLLQE-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163598;MM163598;C=C(F)C(F)C#CCO;OERSSJJDZOZGGE-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163599;MM163599;C=C(F)C(F)C#CCF;JIEMQKQZAPADBJ-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163600;MM163600;C=CC#CC(C)C(=C)C;AODJCWUZYIYOBF-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163601;MM163601;C=C(C)C(C)C#CC=O;IFOMFYVQVVMGGP-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163602;MM163602;C=C(C)C(C)C#CC#N;DTXAYTPGLIGPTG-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163603;MM163603;C=CC#CC(C)C(C)=O;XTLLMTHDBZITNA-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163604;MM163604;CC(=O)C(C)C#CC#N;ZJBPFZCFLZGAKB-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163605;MM163605;C=CC#CC(C)C(=N)N;BBCJBOIRYNGBMF-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163606;MM163606;C=CC#CC(C)C(=O)O;DDIZFMXKUUVQPU-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163607;MM163607;CC(C#CC#N)C(=O)O;HSPZIMSAOHXXBK-UHFFFAOYSA-N;123.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163608;MM163608;C=CC#CC(C)C(=C)F;PDJJYFPAJPZAIB-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163609;MM163609;C=C(F)C(C)C#CC=O;VCSAKHBUTKISBD-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163610;MM163610;C=C(F)C(C)C#CC#N;YJXVZTKXROLYLO-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163611;MM163611;C=CC#CC(N)C(=C)C;XGMGBADUKSMCLW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163612;MM163612;C=CC#CC(N)C(=N)N;IZOCEEBNFXNSRX-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163613;MM163613;C=CC#CC(O)C(=C)C;COMMDYVOYDBJCQ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163614;MM163614;C=C(C)C(O)C#CC#N;XHNVALZTXGYXOG-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163615;MM163615;C=CC#CC(O)C(=N)N;BZIOYBNYKFLKNP-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163616;MM163616;N=C(N)C(O)C#CC=O;BPNBRUFBTBWGAX-UHFFFAOYSA-N;126.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163617;MM163617;N#CC#CC(O)C(=N)N;DZOCCIGLUKVGNS-UHFFFAOYSA-N;123.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163618;MM163618;C=CC#CC(O)C(N)=O;MMIIYXNYMUJKRX-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163619;MM163619;N#CC#CC(O)C(N)=O;QQBODRLRXBQCHJ-UHFFFAOYSA-N;124.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163620;MM163620;N=c1cc[nH]c(O)nc1=O;PHKRRIXQYLFJGU-UHFFFAOYSA-N;139.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163621;MM163621;C=CC#CC(O)C(=C)F;UCVLHWZJMHZVMZ-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163622;MM163622;C=C(F)C(O)C#CC#N;XBQCPOZGBCLAKX-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163623;MM163623;C=CC#CC(F)C(=C)C;UIGISZHJLKGRPY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163624;MM163624;C=C(C)C(F)C#CC=O;PFXMOQZCHARCMM-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163625;MM163625;C=C(C)C(F)C#CC#N;ZONASEWTVIIXRQ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163626;MM163626;CC(=O)C(F)C#CC=O;HYCONJSPFAWBEE-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163627;MM163627;CC(=O)C(F)C#CC#N;YYKNBKBNMKUOAY-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163628;MM163628;C=CC#CC(F)C(N)=O;SMGZAVDTRDICMI-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163629;MM163629;C=CC#CC(F)C(=O)O;LAXSUNBVHFIUBS-UHFFFAOYSA-N;128.1;0.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163630;MM163630;C=CC#CC(F)C(=C)F;ONVAUPVSFDKEIQ-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163631;MM163631;C=C(F)C(F)C#CC=O;AVTQQCXSPSUGAP-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163632;MM163632;C=C(F)C(F)C#CC#N;HVSHEFMFOCMMNO-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163633;MM163633;C#CC#CC(C)C(=C)C;UIQIOGUZQFSDFL-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163634;MM163634;C#CC#CC(C)C(C)=O;JUZSVBNSTKJGFU-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163635;MM163635;C#CC#CC(C)C(=N)N;YPOXTRFBDHHTSK-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163636;MM163636;C#CC#CC(C)C(=O)O;IEUPIOHYBCCNPF-UHFFFAOYSA-N;122.12;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163637;MM163637;C#CC#CC(C)C(=C)F;OBCNDFDRFABGHD-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163638;MM163638;C#CC#CC(N)C(=N)N;RWXPIGPRWGBMDW-UHFFFAOYSA-N;121.14;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163639;MM163639;C#CC#CC(O)C(=C)C;QRXBQSCVNQYGFQ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163640;MM163640;C#CC#CC(O)C(=N)N;BCUMRBCEWIWVCR-UHFFFAOYSA-N;122.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163641;MM163641;C#CC#CC(O)C(=C)F;UYYMXLIXHUZQKY-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163642;MM163642;C#CC#CC(F)C(=C)C;OHIPZQSCAJEVQK-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163643;MM163643;C#CC#CC(F)C(C)=O;RBJOJIABSGHYOS-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163644;MM163644;C#CC#CC(F)C(N)=O;VOXQUTJQNUNBHC-UHFFFAOYSA-N;125.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163645;MM163645;C#CC#CC(F)C(=O)O;KJHYNJDZBQRKNN-UHFFFAOYSA-N;126.09;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163646;MM163646;C#CC#CC(F)C(=C)F;RZFXLMKMUMVRLT-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163647;MM163647;C=C(C#CCC)C(C)C;VWWIVESIJOOFLJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163648;MM163648;C=C(C#CCN)C(C)C;USWMFIYHGRZGBS-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163649;MM163649;C=C(C#CCO)C(C)C;GUDZVOZGZYNMTJ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163650;MM163650;C=C(C#CCF)C(C)C;QKDZCQBXJFHUCE-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163651;MM163651;C=C(C#CCC)C(C)N;LUWCUFORKAHWSK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163652;MM163652;C=C(C#CCN)C(C)N;RBKYEZFSJVNKDP-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163653;MM163653;C=C(C#CCO)C(C)N;MZWWTSGKIICJKX-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163654;MM163654;C=C(C#CCC)C(C)O;MLSCQVLJTPZABF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163655;MM163655;C=C(C#CCN)C(C)O;NSJYSTIOUFWAHE-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163656;MM163656;C=C(C#CCF)C(C)O;JLJIIOMWWRUCBG-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163657;MM163657;C=C(C#CCC)C(C)F;BRWWITCOWXVSJF-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163658;MM163658;C=C(C#CCO)C(C)F;OACOKSRKAGCXFL-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163659;MM163659;C=C(C#CCF)C(C)F;YXKGJKGNCQTAEH-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163660;MM163660;C=C(C#CCC)C(F)F;DFKLSANOINUJBM-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163661;MM163661;C=C(C#CCN)C(F)F;JNLDXVCDXXDHCG-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163662;MM163662;CCC#CC(=O)C(C)C;OBSOBCLYJRUOON-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163663;MM163663;CC(C)C(=O)C#CCF;XADIMCIQUDZDDZ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163664;MM163664;CCC#CC(=O)C(C)O;RZIQLALHGYVILJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163665;MM163665;CC(O)C(=O)C#CCO;KSMVPCMEEXOMAG-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163666;MM163666;CC(O)C(=O)C#CCF;OSGYBARWOMQONC-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163667;MM163667;CCC#CC(=O)C(C)F;MSWNHOAMXDUGAK-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163668;MM163668;CC(F)C(=O)C#CCO;VDBKVWDCSGFQGH-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163669;MM163669;CCC#CC(=O)C(F)F;ZJZXQDAPPHYRLP-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163670;MM163670;O=C(C#CCF)C(F)F;YMZNCIUHFNHYBF-UHFFFAOYSA-N;136.07;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163671;MM163671;CCC#CC(=N)N(C)C;FNVQZGYLDOOHBF-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163672;MM163672;CN(N)C(=N)C#CCO;GQROWSSVDJUFES-UHFFFAOYSA-N;127.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163673;MM163673;CCC#CC(=O)N(C)C;NMUZTYZWXBHYGY-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163674;MM163674;CN(C)C(=O)C#CCO;ZWSZGZQHIWVULB-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163675;MM163675;CN(C)C(=O)C#CCF;ZQFUVEYHRBDVHT-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163676;MM163676;CCC#CC(=O)N(C)N;FSJMEIPIXMKHJA-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163677;MM163677;CNN=CCNC(=O)NN;KLGLIQGTUFRQOP-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163678;MM163678;CN(N)C(=O)C#CCF;QZOTVZCIIMGTOQ-UHFFFAOYSA-N;130.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163679;MM163679;CN(O)C(=O)C#CCO;NAAORAFWOYPXCL-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163680;MM163680;C=CC#CC(=C)C(C)C;RTFCNUHUNZQERZ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163681;MM163681;C=C(C#CC=O)C(C)C;FKPGKTFNRYAGEY-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163682;MM163682;C=C(C#CC#N)C(C)C;VIIKKJKRZACJPF-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163683;MM163683;C=CC#CC(=C)C(C)N;PHLXZJIRGWPNSF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163684;MM163684;C=CC#CC(=C)C(C)O;QWWMEMCGLULECU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163685;MM163685;C=C(C#CC#N)C(C)O;WFUZJHMTNJCQCR-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163686;MM163686;C=CC#CC(=C)C(C)F;CHKRYCWNASKAGO-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163687;MM163687;C=C(C#CC=O)C(C)F;VOWFVBDADCQSCD-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163688;MM163688;C=C(C#CC#N)C(C)F;YHCPEOFRMAEANR-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163689;MM163689;C=CC#CC(=C)C(F)F;ZSYZLYGNFREYBO-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163690;MM163690;C=C(C#CC=O)C(F)F;DBJBRLOHRLWYTI-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163691;MM163691;C=C(C#CC#N)C(F)F;CHNGXJSAGNYRDN-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163692;MM163692;C=CC#CC(=O)C(C)C;BMTLQVLZONWZOV-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163693;MM163693;CC(C)C(=O)C#CC#N;FTHFIZBEWLWYPX-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163694;MM163694;CC(O)C(=O)C#CC#N;JCZHGXJCWIPXLY-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163695;MM163695;C=CC#CC(=O)C(C)F;QDPSIOOWJYQZPW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163696;MM163696;C=CC#CC(=O)C(F)F;QFYSCTMVQXVKHM-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163697;MM163697;O=CC#CC(=O)C(F)F;IMJPKKQNSMCXRE-UHFFFAOYSA-N;132.07;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163698;MM163698;N#CC#CC(=O)C(F)F;URALBKQQIILSQT-UHFFFAOYSA-N;129.07;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163699;MM163699;C#CC(C)=CCNNC=O;JURJSLORNGAUSX-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163700;MM163700;CN(C)C(=O)C#CC#N;UFTYLKOZUVRBIT-UHFFFAOYSA-N;122.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163701;MM163701;CN(O)C(=O)C#CC=O;RRJVZPYJLOJERH-UHFFFAOYSA-N;127.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163702;MM163702;C#CC#CC(=C)C(C)C;QJCRQEDMBNMBST-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163703;MM163703;C#CC#CC(=C)C(C)N;QURWYTPXIXVMIZ-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163704;MM163704;C#CC#CC(=C)C(C)O;DBQWSAXRCAUKGN-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163705;MM163705;C#CC#CC(=C)C(C)F;KLVZKSWTDOXVLM-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163706;MM163706;C#CC#CC(=C)C(F)F;ZVOHGWVDBIOWBT-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163707;MM163707;C#CC#CC(=O)C(C)C;LANKBDWEAABNRD-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163708;MM163708;C#CC#CC(=O)C(C)F;XKRCWZHOERWFRE-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163709;MM163709;C#CC#CC(=O)C(F)F;ZYWWUAWWDJDHSO-UHFFFAOYSA-N;128.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163710;MM163710;C=C(C)C(=C)C#CCC;UURGXTRKZUHTAE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163711;MM163711;C=C(C)C(=C)C#CCN;MVAYTVMJJCFBFU-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163712;MM163712;C=C(C)C(=C)C#CCO;GWBVXBDKSNBJLD-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163713;MM163713;C=C(C)C(=C)C#CCF;KYSICKLABSNDJI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163714;MM163714;C=C(C#CCC)C(C)=O;BGUJDJTUIYEWKS-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163715;MM163715;C=C(C#CCF)C(C)=O;FQTBWPINFMSPQW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163716;MM163716;C=C(C#CCC)C(=N)N;VXUXYJFDNYTNLZ-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163717;MM163717;C=C(C#CCN)C(=N)N;VPCLJZYCVAQUOK-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163718;MM163718;C=C(C#CCO)C(=N)N;FKPMMRLDLQHZHL-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163719;MM163719;CC#CC(CC)C(=O)NN;CPKADVWJXWFLCV-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163720;MM163720;C=C(C#CCO)C(N)=O;RMRPIQNPDURBCD-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163721;MM163721;C=C(C#CCC)C(=O)O;RMLMCFHGJKFPFW-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163722;MM163722;C=C(F)C(=C)C#CCC;PDRJCUWNPZCCFJ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163723;MM163723;C=C(F)C(=C)C#CCN;OAKGGQKBWZSUPI-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163724;MM163724;C=C(F)C(=C)C#CCF;IYSIARGUYDKQEG-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163725;MM163725;C=C(C)C(=O)C#CCC;JTUMXXVYIOBUJX-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163726;MM163726;C=C(C)C(=O)C#CCF;JLMDWROZBCIWLL-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163727;MM163727;CCC#CC(=O)C(C)=O;IXIVZYRGJAEYNI-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163728;MM163728;CC(=O)C(=O)C#CCF;UADAAJBZPGWRHT-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163729;MM163729;COC(=CF)C(O)C=NN;PMHQCSPLTPDNGG-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163730;MM163730;NC(=O)C(=O)C#CCF;VQXFPURZIHRVKM-UHFFFAOYSA-N;129.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163731;MM163731;CCC#CC(=O)C(=O)O;OEPRGTLNZSSKOG-UHFFFAOYSA-N;126.11;0.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163732;MM163732;Nn1c(O)c(O)c(F)c1F;HSAIUUITPVTASY-UHFFFAOYSA-N;150.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163733;MM163733;C=C(F)C(=O)C#CCC;ZQUGQHVCJRLAMH-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163734;MM163734;C=C(F)C(=O)C#CCF;NTWKFBWHOCIDRM-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163735;MM163735;C=CC#CC(=C)C(=C)C;QIGQUOLCKIVXEK-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163736;MM163736;C=C(C)C(=C)C#CC=O;IPNMYDQUNVIVKT-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163737;MM163737;C=C(C)C(=C)C#CC#N;CLGICUWMWZVQJA-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163738;MM163738;C=CC#CC(=C)C(C)=O;VWMUJMDQBGHKCM-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163739;MM163739;C=C(C#CC=O)C(C)=O;JLWDVPHHDBUMKX-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163740;MM163740;C=CC#CC(=C)C(=O)O;CSMHBTZKHNWKEK-UHFFFAOYSA-N;122.12;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163741;MM163741;C=C(C#CC#N)C(=O)O;TYEBCZMTODEXMF-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163742;MM163742;C=CC#CC(=C)C(=C)F;CDPZGTFEFHSGNT-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163743;MM163743;C=C(F)C(=C)C#CC=O;XIBGDJORNGAJOD-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163744;MM163744;C=C(F)C(=C)C#CC#N;DURVRCVVBSBSPY-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163745;MM163745;C=CC#CC(=O)C(=C)C;NWCZZDVPCKNEBM-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163746;MM163746;C=CC#CC(=O)C(C)=O;VOSLSLGGMPGUBR-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163747;MM163747;CC(=O)C(=O)C#CC=O;IEDBLLNMHQIFJH-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163748;MM163748;CC(=O)C(=O)C#CC#N;HLOWEQVQUOOKNR-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163749;MM163749;C=CC#CC(=O)C(=C)F;VYWXCNJJKPNNGA-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163750;MM163750;C=C(F)C(=O)C#CC=O;QKXGRYRASGMFBY-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163751;MM163751;C=C(F)C(=O)C#CC#N;ZZVYRGTZGJEGGF-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163752;MM163752;C#CC#CC(=C)C(=C)C;PQBPXCMICIRKOO-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163753;MM163753;C#CC#CC(=C)C(C)=O;NWPZXORZRUEAEJ-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163754;MM163754;C#CC#CC(=C)C(N)=O;NKQQZMRLQWZZEB-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163755;MM163755;C#CC#CC(=C)C(=O)O;AHDKPBQPZHOSIC-UHFFFAOYSA-N;120.11;0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163756;MM163756;C#CC#CC(=C)C(=C)F;SWEAKJXFSRRRPC-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163757;MM163757;C#CC#CC(=O)C(=C)C;UTXQMBXKLVVKHR-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163758;MM163758;C#CC#CC(=O)C(C)=O;LXWBJEDLCZWZJY-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163759;MM163759;C#CC#CC(=O)C(=C)F;YNPMTHHJXRDXBV-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163760;MM163760;CCCC=C(C)C(C)C;DGWZUHXBELPHMZ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163761;MM163761;CC(=CCCN)C(C)C;UKOIRZLZGXXHGS-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163762;MM163762;CC(=CCCO)C(C)C;OTEQHNJNPQLVBG-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163763;MM163763;CCCC=C(C)C(C)N;QRNVTHQNPVLJHA-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163764;MM163764;CC(=CCCF)C(C)N;VRLRVTYAYMXTTA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163765;MM163765;C#CC1(CNNC=O)CC1;VCOAYKXCLDWDNP-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163766;MM163766;CC(=CCCN)C(C)O;QTWUQOFKHJMMNV-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163767;MM163767;CNc1cc(CC#N)[nH]n1;PNWJGKIHPPMRNE-UHFFFAOYSA-N;136.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163768;MM163768;C#CCC1CC1C(=O)NN;UTUYYCBYGUUREX-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163769;MM163769;CC(=CCCF)C(C)F;YUYRIVXQFSZRJU-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163770;MM163770;CCCC=C(C)C(F)F;LWPSYQQNDUQHIY-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163771;MM163771;CC(=CCCN)C(F)F;UJBKLJVFAICZSP-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163772;MM163772;CC(=CCCF)C(F)F;PNNXXROHHKLYRX-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163773;MM163773;CCCC=C(F)C(C)C;BDIWJLGYCOURPH-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163774;MM163774;CC(C)C(F)=CCCN;GQKYNKFWDIOHGG-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163775;MM163775;CC(C)C(F)=CCCF;CUYOTTHUZHBHSL-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163776;MM163776;CCCC=C(F)C(C)O;JOVYRQUADPZPLG-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163777;MM163777;CCCC=C(F)C(C)F;SVTJJGJBIXNDJL-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163778;MM163778;CC(F)C(F)=CCCN;MUJVABPKJUHWGG-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163779;MM163779;CC(F)C(F)=CCCO;NJXIJDGBVXCVLO-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163780;MM163780;OCCC=C(F)C(F)F;ZGWZMGJGUAUNKZ-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163781;MM163781;CNCC=C(C)C(C)C;OMAMEXLZHPTUDF-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163782;MM163782;CNCC=C(C)C(C)O;NJLAQWMPFVUWLY-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163783;MM163783;CNCC=C(C)C(C)F;YHXMELPBBXRBQG-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163784;MM163784;CNCC=C(C)C(F)F;ITYKUKSOFRUZLX-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163785;MM163785;CNCC=C(F)C(C)C;CYTPHFZSLPKANA-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163786;MM163786;CNCC=C(F)C(C)F;NSRSUIYXXXKREZ-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163787;MM163787;CCOC=C(C)C(C)C;GUEHMKHJCRMUSF-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163788;MM163788;CCOC=C(C)C(C)N;VENYMKNQFMNEFP-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163789;MM163789;CCOC=C(C)C(C)O;AUQRIQSQTOWVDK-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163790;MM163790;CCOC=C(C)C(C)F;JOAWGGWJZHLYQM-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163791;MM163791;CCOC=C(F)C(C)C;FCTRBNWHGHRKEV-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163792;MM163792;CCOC=C(F)C(C)O;SFPADJYRCYZFMV-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163793;MM163793;CCNN=C(C)C(C)C;UTVDTYNXPJWXJP-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163794;MM163794;Cn1ccnc1O;PXHFWPOPKVWXQT-UHFFFAOYSA-N;98.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163795;MM163795;CCON=C(C)C(C)C;WUFXJMHYVLXIFG-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163796;MM163796;C=C(CO)C(=O)NN;ICKKAVZZQIWPPC-UHFFFAOYSA-N;116.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163797;MM163797;CCON=C(C)C(C)F;FLCDDIJFOIIAQH-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163798;MM163798;N=c1ncnnn1O;IJLGORYSXBEPBN-UHFFFAOYSA-N;113.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163799;MM163799;CCCN=C(C)N(C)C;VCEKZPKWRURQCS-UHFFFAOYSA-N;128.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163800;MM163800;CCCN=C(C)N(C)N;RBEGFUIOTNNMFJ-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163801;MM163801;CCCN=C(C)N(C)O;MDLKTMVUWWTGMV-UHFFFAOYSA-N;130.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163802;MM163802;C=CCC=C(C)C(C)C;IHGCYZOANSSTFD-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163803;MM163803;CC(=CCC=O)C(C)C;ZQDJHFVECZRVIH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163804;MM163804;CC(=CCC#N)C(C)C;PJCLLFJDEWGQLX-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163805;MM163805;C=CCC=C(C)C(C)N;TWYNUQPIPOKPGY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163806;MM163806;CC1(C)NC1C(=O)NN;KFYOMDJGLVFMDB-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163807;MM163807;CC(CC(=O)NN)=NN;KHYNWJPNKNTZKA-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163808;MM163808;CC(F)CCC(=O)NN;QJSAIKUUAFBFAL-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163809;MM163809;C=CCC=C(C)C(C)F;HHZDJHGECSJCQU-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163810;MM163810;CC(=CCC=O)C(C)F;KAILFJJPIINQHW-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163811;MM163811;CC(=CCC#N)C(C)F;CIZPJDVLMDLSHL-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163812;MM163812;C=CCC=C(C)C(F)F;DKDDCEWUZKLUST-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163813;MM163813;CC(=CCC=O)C(F)F;OBHYZZSWXWXNSM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163814;MM163814;C=CCC=C(F)C(C)C;YEKRYBDVSKJKRX-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163815;MM163815;CC(C)C(F)=CCC=O;JCRNBHRXKGJYNP-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163816;MM163816;CC(C)C(F)=CCC#N;MDCBSEMZZSCVGS-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163817;MM163817;C=CCC=C(F)C(C)O;ZVVZJHFAKAHVMK-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163818;MM163818;CC(F)C(F)=CCC=O;NMFXGOYCCVFXIS-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163819;MM163819;N#CCC=C(F)C(F)F;VWKPHCNVLHBOIH-UHFFFAOYSA-N;135.09;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163820;MM163820;CC(=CNC=N)C(C)C;QDBFHFNECZRXSA-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163821;MM163821;CC(=CNC=O)C(C)C;BVHCBLGRZBANJK-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163822;MM163822;CC(=CNC=N)C(C)N;JYYLCEVSIRUHFB-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163823;MM163823;CC(=CNC=O)C(C)N;QGEKLDWZBJKTNN-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163824;MM163824;CC(=CNC=N)C(C)O;OMRXVHNLEMDWRU-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163825;MM163825;CC(=CNC=N)C(C)F;LBQJUTGQBFBSGT-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163826;MM163826;CC(=CNC=O)C(C)F;VLJMJXFNHVKZBT-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163827;MM163827;CC(=CNC=N)C(F)F;VSVSHPISAQIWML-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163828;MM163828;CC(C)C(F)=CNC=N;AXXRYJIXLRHVCQ-UHFFFAOYSA-N;130.17;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163829;MM163829;CC(F)C(F)=CNC=N;BLBQSFIYMUGOHD-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163830;MM163830;CC(F)C(F)=CNC=O;ZJUABYURMPQLNN-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163831;MM163831;C=COC=C(C)C(C)C;UPDRYMRSJQVBGO-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163832;MM163832;CC(=COC=O)C(C)C;AWCMQMZCTYEUMY-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163833;MM163833;C=COC=C(C)C(C)N;UMASIAXLIYXQKG-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163834;MM163834;C=COC=C(C)C(C)O;XFFGFSRQIDMFQD-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163835;MM163835;CC(=COC=O)C(C)O;PSSSECCXNURRPG-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163836;MM163836;C=COC=C(C)C(C)F;XAEBJFXMUYQYNP-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163837;MM163837;CC(=COC=O)C(C)F;GEIGEMGWNFHMKB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163838;MM163838;CC(=COC=O)C(F)F;YGVIBDYNDPCYDE-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163839;MM163839;C=COC=C(F)C(C)C;INHKBYQCKHVBPQ-UHFFFAOYSA-N;130.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163840;MM163840;C=COC=C(F)C(C)O;YLXFJTCYRDRMRZ-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163841;MM163841;C=COC=C(F)C(C)F;ASHKJNDJJGEVQC-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163842;MM163842;CC(F)C(F)=COC=O;PCRSWXARAZCYEZ-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163843;MM163843;CC(=NNC=O)C(C)C;ZNPRWBVXYRZJBJ-UHFFFAOYSA-N;128.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163844;MM163844;CC(=NNC=O)C(C)N;VTUCELVPTJLYBH-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163845;MM163845;CC(=NOC=O)C(C)C;YUJMWBOFBAVLBQ-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163846;MM163846;CC(=NOC=O)C(C)N;FXVIBAQNROMWIK-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163847;MM163847;CC(F)CCNNC=O;REHPTCPJJYNNKO-UHFFFAOYSA-N;134.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163848;MM163848;C=CCN=C(C)N(C)C;VVNLJRZVWQNZMG-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163849;MM163849;CC(=NCC#N)N(C)C;HMTHLXGNUSWPRC-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163850;MM163850;CC(=NNC=N)N(C)C;BMWNPMTYFAUJNV-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163851;MM163851;C#CCC=C(C)C(C)C;GBTYXNHUZXEBND-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163852;MM163852;C#CCC=C(C)C(C)N;VEGDYTYWBWXQGV-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163853;MM163853;C#CC(O)C1(C)CN1C;YPQUJGILMPOGJX-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163854;MM163854;C#CCC=C(C)C(C)F;ONEUBGODAZXHQF-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163855;MM163855;C#CCC=C(C)C(F)F;SZZIDPDSYVOHKB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163856;MM163856;C#CCC=C(F)C(C)C;ZKSYHJUDMDDOJE-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163857;MM163857;C#CCC=C(F)C(C)O;ATJYKUZISQNNMB-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163858;MM163858;C#CCC=C(F)C(C)F;BMMRVBQOIGBMTF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163859;MM163859;C#CCN=C(C)N(C)C;WWNQXFCSZAHOGO-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163860;MM163860;C=C(C)C(C)=CCCC;GCZPADUEJDJXBH-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163861;MM163861;C=C(C)C(C)=CCCN;XRSONARXONVNKH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163862;MM163862;C=C(C)C(C)=CCCO;ILHDCUWIPYIQJP-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163863;MM163863;CCCC=C(C)C(C)=O;IZBMUZVSTLWUTH-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163864;MM163864;CC(=O)C(C)=CCCF;VDHMPKBFKDKRIG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163865;MM163865;CCCC=C(C)C(=N)N;BKSFUUJRUPCQCP-UHFFFAOYSA-N;126.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163866;MM163866;CC(=CCCN)C(=N)N;VKIKOUQAYPQEMA-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163867;MM163867;CC(=CCCO)C(=N)N;HGRGUVCIEUCLGM-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163868;MM163868;NNC(=O)NCCCO;KNQLFVCGDNNBHO-UHFFFAOYSA-N;133.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163869;MM163869;CC(=CCCN)C(N)=O;AJQXZWKKWGNGPA-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163870;MM163870;CCCC=C(C)C(=O)O;AKOVMBAFZSPEQU-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163871;MM163871;C=C(F)C(C)=CCCC;ITXNRZDVQLVXJX-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163872;MM163872;C=C(F)C(C)=CCCF;YDKOMTXDROPNOO-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163873;MM163873;C=C(C)C(F)=CCCC;SHNUMXGDXIZYOX-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163874;MM163874;C=C(C)C(F)=CCCN;RIVHXNZKSFXLNJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163875;MM163875;C=C(C)C(F)=CCCF;NKBZQGNETUMSRO-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163876;MM163876;CCCC=C(F)C(C)=O;KBPDXIHCBKEFJA-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163877;MM163877;CC(=O)C(F)=CCCF;JAKZOMQTNYOXBW-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163878;MM163878;CCCC=C(F)C(=N)N;RNALXMKXFTVVAM-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163879;MM163879;N=C(N)C(F)=CCCO;PBBMJDMQHDCQHL-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163880;MM163880;CCCC=C(F)C(N)=O;USRGTGBYYKAXLV-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163881;MM163881;O=C(O)C(F)=CCCF;BUFNYIPAALEIRU-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163882;MM163882;C=C(F)C(F)=CCCN;OIGKCHNGVCRQQU-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163883;MM163883;CNCC=C(C)C(=N)N;JGPMRXXUDUBHPL-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163884;MM163884;CNCC=C(C)C(N)=O;ZQNILPMNZLTZGA-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163885;MM163885;C=C(F)C(F)=CCNC;BAKBQIFDWSFDEO-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163886;MM163886;COCC=C(C)C(C)=O;DSFHVRBEEYYLQV-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163887;MM163887;C=C(C)C(F)=CCOC;UADRCPDNPUWYLL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163888;MM163888;COCC=C(F)C(C)=O;PFTPANGCDLFGSM-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163889;MM163889;CCNC=C(C)C(=N)N;LCCORVWBEGMAEQ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163890;MM163890;CCNC=C(F)C(C)=O;XJESMGPKDKVSAT-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163891;MM163891;CCOC=C(C)C(C)=O;XNBNIIPYZIRDQF-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163892;MM163892;CCOC=C(C)C(=N)N;OYZJWWYTHMFQKJ-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163893;MM163893;C=C(F)C(C)=COCC;KXTDQFMYFBNGNN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163894;MM163894;CCOC=C(F)C(C)=O;ZHBYYEZUXWNFJR-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163895;MM163895;CCOC=C(F)C(N)=O;VRBMFVKMSSUSMY-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163896;MM163896;Cn1c(O)nn(N)c1=NO;GNQXCUSAQCUCIA-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163897;MM163897;C=C(F)C(F)=COCC;HQNVSXRYDKMZNC-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163898;MM163898;Cc1nnn(O)c(=N)n1;ROWSPODEQWKPSO-UHFFFAOYSA-N;127.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163899;MM163899;C=C(C)C(C)=NOCC;GGAYLEBPQWXUGX-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163900;MM163900;N=c1nc(N)nnn1O;PYZRMJDMBQYQDH-UHFFFAOYSA-N;128.1;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163901;MM163901;C=C(F)C(C)=NOCC;STAYYFZDCIHRQZ-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163902;MM163902;C=CCC=C(C)C(=C)C;PRYQRUVFFDMLKA-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163903;MM163903;C=C(C)C(C)=CCC=O;IFJPWJZPNVIELN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163904;MM163904;C=C(C)C(C)=CCC#N;MBCMJIGFFMFRSZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163905;MM163905;C=CCC=C(C)C(C)=O;XYDNWTKJEVXOQU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163906;MM163906;CC(=O)C(C)=CCC=O;XHMFFTNGRREHCC-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163907;MM163907;C=CCC=C(C)C(=N)N;DJAXITNJOFICNS-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163908;MM163908;CCC1NC1C(=O)NN;RRLNYDVPCWGQNH-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163909;MM163909;CCN1CC1C(=O)NN;NVUGCHQEKDDZLD-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163910;MM163910;C=CCC=C(C)C(=O)O;FYFGEVMJCBWDJP-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163911;MM163911;N=c1c(O)nc(O)cn1O;HYNBQOBIBRBKNF-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163912;MM163912;C=CCC=C(F)C(=C)C;RLFMLKYJHKFRGA-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163913;MM163913;C=C(C)C(F)=CCC#N;ORUCPWFURNUQPC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163914;MM163914;C=CCC=C(F)C(C)=O;SBYJZMVHIGPSSJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163915;MM163915;C=CCC=C(F)C(=N)N;BYBDZKIMFWPWCY-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163916;MM163916;C=CCC=C(F)C(N)=O;MOPBBWUCMRXZRD-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163917;MM163917;NC(=O)C(F)=CCC=O;WEKCJKFGUDISBH-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163918;MM163918;C=C(F)C(F)=CCC=O;HAGFQTAYZJFQAG-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163919;MM163919;C=C(F)C(F)=CCC#N;WNRZTKCXTLIXCJ-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163920;MM163920;C=C(C)C(C)=CNC=O;LKMVQRIHEVFMHI-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163921;MM163921;CC(=O)C(C)=CN=CN;KFECMFMSESZJFJ-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163922;MM163922;CC(=CNC=N)C(=N)N;AWYFLFXDSZLDDF-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163923;MM163923;CC(=CNC=O)C(=N)N;FUCGSJAVDCTIRU-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163924;MM163924;CC(=CN=CN)C(N)=O;ALDKGBKFORQMFN-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163925;MM163925;Nn1c(O)nc(=NO)n1N;KMNWXEWNMRIMNV-UHFFFAOYSA-N;146.11;-2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163926;MM163926;C=C(F)C(C)=CNC=N;CCPHGITZKSBPSM-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163927;MM163927;C=C(C)C(F)=CNC=N;SUBDGQSCWYTDJN-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163928;MM163928;C=C(C)C(F)=CNC=O;XUOSEPIGDXNAAE-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163929;MM163929;CC(=O)C(F)=CN=CN;YFXCSILEMNDITP-UHFFFAOYSA-N;130.12;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163930;MM163930;C=C(F)C(F)=CNC=O;VMJXNBOGTQKTCW-UHFFFAOYSA-N;133.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163931;MM163931;C#Cc1[nH]oc(=O)c1F;ZVYHVMRITYBMKO-UHFFFAOYSA-N;127.07;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163932;MM163932;CC1C(C(=O)NN)N1C;BFSLNTIKQWGMIY-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163933;MM163933;C=COC=C(C)C(=C)C;GFKGGWFADFZPSK-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163934;MM163934;C=C(C)C(C)=COC=O;JXNLHZBBLOODJM-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163935;MM163935;C=COC=C(C)C(C)=O;KTDXTMJJQGGQTF-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163936;MM163936;C=COC=C(C)C(=N)N;UJVAGBGXRAPCOS-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163937;MM163937;CC(=COC=O)C(=N)N;UYWHMODNOKMEHY-UHFFFAOYSA-N;128.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163938;MM163938;O=CCCCNNC=O;VQHDICHVQDSUIK-UHFFFAOYSA-N;130.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163939;MM163939;C=Cc1cn(O)c(=O)o1;UCXNZHDWKQEGKN-UHFFFAOYSA-N;127.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163940;MM163940;C=COC=C(C)C(=C)F;BVQXVCTWVWTSAW-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163941;MM163941;C=COC=C(F)C(=C)C;CKOXVMRDAOTVHL-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163942;MM163942;C=C(C)C(F)=COC=O;IOMNKQNJWBYSPW-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163943;MM163943;CC(=O)C(F)=COC=O;JCTGRNWZRCXWQJ-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163944;MM163944;CCc1coc(=O)n1O;SWAHMQKMIILULV-UHFFFAOYSA-N;129.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163945;MM163945;C=COC=C(F)C(=C)F;ZZCKSQINDSAKCV-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163946;MM163946;CC(=O)C(C)=NNC=O;VHADGWUCGXSCIJ-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163947;MM163947;C=C(F)C(C)=NNC=O;SYGGQOWNCJLHQH-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163948;MM163948;C=C(C)C(C)=NOC=O;UDCCXSMOJFPDQB-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163949;MM163949;CN=c1ncnnn1O;LAWPNJZNXNBDIF-UHFFFAOYSA-N;127.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163950;MM163950;CC(=NOC=O)C(N)=O;XAZVHSZALQKDSH-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163951;MM163951;Cc1cc(F)nc(=O)n1O;MWUFXTSJPWXMDM-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163952;MM163952;C=C(F)C(C)=NOC=O;JNWKRDKCUGWSMJ-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163953;MM163953;C#CCC=C(C)C(=C)C;MVUVCXAJQJNPHN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163954;MM163954;C#CCC=C(C)C(C)=O;DWWVLFXKTQLGFE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163955;MM163955;C#CCC=C(C)C(=N)N;OZJHXFUTQASZAS-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163956;MM163956;C#CC=C(C)CC(=O)NN;PPGUBBACBXORRV-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163957;MM163957;C#CCC=C(C)C(=O)O;PUSMZQFBLJERSQ-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163958;MM163958;C#CCC=C(F)C(=C)C;SAEJTNYBYVRQIN-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163959;MM163959;C#CCC=C(F)C(C)=O;PGKUBXPSJCJYCN-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163960;MM163960;C#CCC=C(F)C(=C)F;WHUWLMCHCCPQAC-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163961;MM163961;CC=CC=C(C)C(C)C;FXODTDOTBLRZBO-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163962;MM163962;CC(=CC=CF)C(C)C;HDZCSDKOPWYGDU-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163963;MM163963;CC=CC=C(C)C(C)N;IAMBKZRZSBVSPF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163964;MM163964;CC(=CC=CF)C(C)N;WXVJACNJBAQLFE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163965;MM163965;C=CC1(O)CN(C)N=C1C;LDYKJMGTIKHWLI-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163966;MM163966;C=CCC(F)CNNC=O;UXEKEGFDEXWSHP-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163967;MM163967;CC=CC=C(C)C(C)F;BMTMXXFZOCMWIQ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163968;MM163968;CC(=CC=CF)C(C)F;CJWVDTRNCYPCKJ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163969;MM163969;CC=CC=C(F)C(C)C;JVARGLYORZXNKX-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163970;MM163970;CC=CC=C(F)C(C)O;SUESLHQLQCOSLA-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163971;MM163971;CC(O)C(F)=CC=CF;QCQAJUWMMUBBTE-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163972;MM163972;CC=CC=C(F)C(C)F;VECSPLHKNZKEHC-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163973;MM163973;CC(=CC=NN)C(C)C;VEQMNXKXPGDLFD-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163974;MM163974;NN=CC(O)C(F)C=CF;ZPHCGVAFJMCNKA-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163975;MM163975;C=C1NC(=O)C2N(C)C12C;KRUVLVCSPDLEDV-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163976;MM163976;CC(=CC=NO)C(C)O;AZHIURIQHMLCEZ-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163977;MM163977;CC(=CC=NN)C(C)F;CKAOIXIPHQITAJ-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163978;MM163978;CC(=CC=NO)C(C)F;LTBDGMYIIKFLSX-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163979;MM163979;C=C1NC(=O)C2(C)C1N2C;PHYKUCUKXSPTOL-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163980;MM163980;CC(N)C(N)=CC=NO;NPMTVXQPAJLMFI-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163981;MM163981;CNC(=O)CCC(=O)NN;GSOYNBMWRONIJH-UHFFFAOYSA-N;145.16;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163982;MM163982;C=C(CO)CNC(=O)NN;WLAXDIPULQJNTM-UHFFFAOYSA-N;145.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163983;MM163983;CC(F)C(F)=CC=NN;HKJJMPUVUPFQTG-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163984;MM163984;CC(F)C(F)=CC=NO;ZRNLVBGRFLWYHE-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163985;MM163985;NN=CC=C(F)C(F)F;CKRZKUZHOPZEAZ-UHFFFAOYSA-N;138.09;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163986;MM163986;CC=NN=C(C)C(C)C;QLWUZTCQKVLHBT-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163987;MM163987;CC=NN=C(C)C(C)O;YTMHUYLQDJYQNZ-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163988;MM163988;CC=NN=C(C)C(C)F;TVVXUPRXMWCTDU-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163989;MM163989;CC=NN=C(C)C(F)F;YFAGXQDVRFHZEM-UHFFFAOYSA-N;134.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163990;MM163990;CC=NN=C(C)N(C)C;PDXUZOZQVGXKQB-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163991;MM163991;CC=NN=C(C)N(C)N;VBIWKOUNGUBLDM-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163992;MM163992;C=C(CNC(=O)NN)OC;QMEYOQGRSQYNKI-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163993;MM163993;C=C(C)C(C)=CC=CC;NTMSWOYHFFJTPE-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163994;MM163994;C=C(C)C(C)=CC=CF;XDEQDKPMQJNJSJ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163995;MM163995;CC=CC=C(C)C(C)=O;CFQVJBTVGHQBNB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163996;MM163996;CC(=O)C(C)=CC=CF;GZAVWJNJKSDROY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163997;MM163997;CC=CC=C(C)C(=N)N;LBPPLJGMRIKSOI-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163998;MM163998;CC(=CC=CF)C(=N)N;KWAUSLYEDUVXTC-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM163999;MM163999;C#CC1(CC(=O)NN)CC1;UXRBUKRJIOWNBV-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164000;MM164000;CC=CC=C(C)C(=O)O;SEVAVERBPBXACO-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164001;MM164001;CC(=CC=CF)C(=O)O;PZPIXSWGNIFXLE-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164002;MM164002;C=C(F)C(C)=CC=CC;GTOXXEBVHMTREM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164003;MM164003;C=C(C)C(F)=CC=CC;DXACXFMSZKDIHS-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164004;MM164004;C=C(C)C(F)=CC=CF;KFQODKNINNNFBV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164005;MM164005;CC=CC=C(F)C(C)=O;ICTIRCFRKLFEBD-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164006;MM164006;CC(=O)C(F)=CC=CF;QYNDLKZIMGATRU-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164007;MM164007;CC=CC=C(F)C(=O)O;ITFUKJMIBRQZCB-UHFFFAOYSA-N;130.12;1.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164008;MM164008;C=C(F)C(F)=CC=CC;LRXBSKCDHZHMAP-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164009;MM164009;C=C(C)C(C)=CC=NN;LLGRBVLYSWKNJT-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164010;MM164010;CNC(=O)CCNNC=O;VXLKNGOJEBJJNW-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164011;MM164011;CC(=O)C(C)=CC=NO;UCPQBQPOUVKVIF-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164012;MM164012;CC(=CC=NN)C(=N)N;ABHQRHQWOWFYOB-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164013;MM164013;C=NNCCNC(=O)NN;FQGJXMAXLXDTOX-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164014;MM164014;CC(=CC=NO)C(N)=O;MUTYLCPXVWNMMN-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164015;MM164015;CC(=O)C(=N)C=CNO;GJOZHPRJIDSASJ-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164016;MM164016;N=C(N)C(N)=CC=NN;YPLNPSSMMZVINT-UHFFFAOYSA-N;127.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164017;MM164017;N=C(N)C(N)=CC=NO;ODRRDUJQNABSPR-UHFFFAOYSA-N;128.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164018;MM164018;N=C(C=CNO)C(N)=O;WYALKDKQXSEUMG-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164019;MM164019;C=C(C)C(F)=CC=NN;LRLKFIIUNIUORR-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164020;MM164020;C=C(C)C(F)=CC=NO;XFZKSVWWOBKYMY-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164021;MM164021;N#CCNC1CC1(O)C=O;KEGXGKQBPASLAD-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164022;MM164022;C=C(C)C(C)=NN=CC;HHVMBBZRKWSHQR-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164023;MM164023;CC=NN=C(C)C(=N)N;BAPSFWGHKCDMDH-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164024;MM164024;CC=NN=C(C)C(N)=O;HZEUQEPRFONGIG-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164025;MM164025;C=C(F)C(C)=NN=CC;RYUIORWKKHDEMT-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164026;MM164026;CC#CC=C(C)C(C)C;RFERRKVSJSCCEG-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164027;MM164027;CC#CC=C(C)C(C)N;LZFKEHNXDRCLGV-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164028;MM164028;C=CN(C=CC)C(=O)NN;KPQTZGBCUYIFQT-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164029;MM164029;CC#CC=C(C)C(C)F;OXEGABKIKFCZLK-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164030;MM164030;CC#CC=C(F)C(C)C;IEBBAJIJUDHCSI-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164031;MM164031;CC#CC=C(F)C(C)O;IFPXBBLVYJAPOA-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164032;MM164032;CC#CC=C(F)C(C)F;WMHMXZPMJSFMOS-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164033;MM164033;C=C(C)C(C)=CC#CC;WTDHNRHFMINRSC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164034;MM164034;CC#CC=C(C)C(C)=O;GXGAEXRVBBDARY-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164035;MM164035;CC#CC=C(C)C(=N)N;NYFBCEXDKNYTSQ-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164036;MM164036;CC#CC(=NN)C(O)CO;CYECOYOKUIWMIU-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164037;MM164037;C=C(F)C(C)=CC#CC;QFKMCXDOJPOEND-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164038;MM164038;C=C(C)C(F)=CC#CC;LRAWZVNKKKSLGW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164039;MM164039;CC#CC=C(F)C(C)=O;LCGSNMDPYJVASH-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164040;MM164040;CC#CC=C(F)C(N)=O;PBQIRZISUNCPLM-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164041;MM164041;CC#CC=C(F)C(=O)O;DBTZLEIKEMSQBW-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164042;MM164042;C=C(F)C(F)=CC#CC;UFWKIHVKXDMWRY-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164043;MM164043;CCCCC(C)=C(C)C;PTUNZAOKLBTUBF-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164044;MM164044;CC(C)=C(C)CCCN;UFTHHKYYDIRBMN-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164045;MM164045;CC(C)=C(C)CCCF;BBOWUGAYLUIRDB-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164046;MM164046;CCCCC(C)=C(C)F;CFPHCOGUTCMBNA-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164047;MM164047;CNNC(=NO)NCC=O;JGJZCLUEFLIEJG-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164048;MM164048;CC(F)=C(C)CCCF;JHILQKDLIHMEJK-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164049;MM164049;CCCCC(C)=C(F)F;HWQRZISPPCHLRL-UHFFFAOYSA-N;134.17;3.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164050;MM164050;CC(CCCN)=C(F)F;GXJPQROWHVBHRX-UHFFFAOYSA-N;135.16;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164051;MM164051;C=CN(C(=C)C)C(=O)NN;KFPSEDHKGAWSAL-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164052;MM164052;CC(CCCF)=C(F)F;KLKRIYMGAAXWMR-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164053;MM164053;CC(F)=C(F)CCCN;BUHMKKZGAMAQHE-UHFFFAOYSA-N;135.16;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164054;MM164054;CC(F)=C(F)CCCF;HSOJMVLYSZRVBC-UHFFFAOYSA-N;138.13;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164055;MM164055;NCCCC(F)=C(F)F;SZSLDYSHNAZVQX-UHFFFAOYSA-N;139.12;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164056;MM164056;CNCCC(C)=C(C)C;JGMGGPABMVLLRI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164057;MM164057;CNCCC(C)=C(F)F;VBBYTXHXEMXNNB-UHFFFAOYSA-N;135.16;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164058;MM164058;CNCCC(F)=C(C)F;JDXDFWNUTNJAJQ-UHFFFAOYSA-N;135.16;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164059;MM164059;CNCCC(F)=C(F)F;ZRXTVXWGLHWELR-UHFFFAOYSA-N;139.12;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164060;MM164060;COCCC(C)=C(C)C;RNUMMCOOCQZQHX-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164061;MM164061;COCCC(C)=C(C)F;JKUYJQWORQMTGC-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164062;MM164062;COCCC(F)=C(C)C;GXWGCLMVCQWJAT-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164063;MM164063;COCCC(F)=C(C)F;BESMTIFAGXFKMU-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164064;MM164064;CCNCC(C)=C(C)C;JARZQLXAKQGDMK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164065;MM164065;CCNCC(C)=C(F)F;SKFZQKIEESDSOO-UHFFFAOYSA-N;135.16;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164066;MM164066;CCOCC(C)=C(C)C;UQRMYUDGIRSCBO-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164067;MM164067;CCOCC(C)=C(C)F;UNQQIBPDQLIZAO-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164068;MM164068;CCOCC(C)=C(F)F;WFMOUTQIYXHDKS-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164069;MM164069;CCCOC(C)=C(C)C;PBWMBIIIASXKMJ-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164070;MM164070;CC(C)=C(C)OCCN;WRVRBCDTDWCGTC-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164071;MM164071;CC(C)=C(C)OCCO;BHRFYMOPUVBEDG-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164072;MM164072;CCCOC(C)=C(C)F;LLFVZNHGYUTRED-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164073;MM164073;CC(F)=C(C)OCCO;ROYDXVJHQKCLSM-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164074;MM164074;CC(F)=C(C)OCCF;VRYQWROXNFINLG-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164075;MM164075;CCCOC(C)=C(F)F;IHVZQFWNVBFIEY-UHFFFAOYSA-N;136.14;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164076;MM164076;CC(OCCF)=C(F)F;VCZYUOPXTUCHGM-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164077;MM164077;COCOC(C)=C(C)C;FDTGWCIZPJEVMW-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164078;MM164078;COCOC(C)=C(C)F;PNEKQJGNQDGNJL-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164079;MM164079;COCOC(C)=C(F)F;LLYBEMDEYBCCIU-UHFFFAOYSA-N;138.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164080;MM164080;C=CCCC(C)=C(C)C;OXSLBQPYFRLBGQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164081;MM164081;CC(C)=C(C)CCC=O;HCQDGJIBLNNDBW-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164082;MM164082;CC(C)=C(C)CCC#N;PQQUYEKEWBXPPR-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164083;MM164083;C=CCCC(C)=C(C)F;CGGSPOBQXMPTQU-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164084;MM164084;CC(F)=C(C)CCC#N;KRAKLTGPIOMTMK-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164085;MM164085;C=CCCC(C)=C(F)F;LVDDZBVHJGZOEJ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164086;MM164086;CC(CCC=O)=C(F)F;QDVPOGYQPACHQL-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164087;MM164087;CC(CCC#N)=C(F)F;BZWVEUMBRADAAU-UHFFFAOYSA-N;131.13;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164088;MM164088;C=CCCC(F)=C(C)C;DQIAHZODYIRQOS-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164089;MM164089;CC(C)=C(F)CCC=O;RHQZKONALNXQHM-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164090;MM164090;CC(C)=C(F)CCC#N;UZWPYFYXIZJSJI-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164091;MM164091;C=CCCC(F)=C(C)F;MUULXIJLTOECAK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164092;MM164092;CC(F)=C(F)CCC=O;DBJBARIKYHANHY-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164093;MM164093;C=CCCC(F)=C(F)F;SHECPBSJKHJUJC-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164094;MM164094;O=CCCC(F)=C(F)F;UURQOWSFMUPDHD-UHFFFAOYSA-N;138.09;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164095;MM164095;N#CCCC(F)=C(F)F;YOGDAQFHXUSDQD-UHFFFAOYSA-N;135.09;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164096;MM164096;CN=c1nc(C)nnn1O;CYJFTVDPDNXORJ-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164097;MM164097;CC(F)=C(C)CNC=N;BRAROEPBYSBKIA-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164098;MM164098;CC(F)=C(C)CNC=O;FFFJCXNGPIXORV-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164099;MM164099;CC(C)=C(F)CNC=O;WGBJFPOPXDUMEJ-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164100;MM164100;CC(F)=C(F)CNC=N;UYFNAKMUAURAKF-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164101;MM164101;CC(F)=C(F)CNC=O;YMIDHLNXTFGQSM-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164102;MM164102;C=NNCC(C)=C(F)F;NODAZGHFRCODKR-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164103;MM164103;CN=c1nc(N)nnn1O;WPHLQCXFVOVITL-UHFFFAOYSA-N;142.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164104;MM164104;CN=C(NC)C(=O)CC#N;KPHVPDZNGRFKHF-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164105;MM164105;C=COCC(C)=C(C)C;RPWKUEHMXMJFMW-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164106;MM164106;CC(C)=C(C)COC=O;QNSCSGVGWIZCHL-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164107;MM164107;C=COCC(C)=C(C)F;LBYQNUAPLAIUGP-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164108;MM164108;CC(F)=C(C)COC=O;FFSWSUARSYFKRM-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164109;MM164109;C=COCC(C)=C(F)F;CHCHJZRMLBRRKF-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164110;MM164110;C=COCC(F)=C(C)C;QJZOCRBIWRNPAI-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164111;MM164111;CC(C)=C(F)COC=O;XTKFXODYBQAQII-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164112;MM164112;C=COCC(F)=C(C)F;DPWLVBYTKFISIX-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164113;MM164113;CC(F)=C(F)COC=O;ZXWBASXEZYLLLR-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164114;MM164114;C=NOCC(C)=C(C)C;VOOBZBYBLHTWSY-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164115;MM164115;C=NOCC(C)=C(C)F;SBZKJHMCMRVSQO-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164116;MM164116;C=NOCC(F)=C(C)C;AWQWQANMPWHVLA-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164117;MM164117;C=NOCC(F)=C(C)F;XLSBVXJTEVZPDF-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164118;MM164118;C=NOCC(F)=C(F)F;OUGOWBZLTQQZMR-UHFFFAOYSA-N;139.08;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164119;MM164119;C=CCOC(C)=C(C)C;IXIAZXADHREQCZ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164120;MM164120;CC(C)=C(C)OCC=O;TXEGYSNUFMVOIS-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164121;MM164121;CC(C)=C(C)OCC#N;UUXHDYYHAXSWKU-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164122;MM164122;CC(F)=C(C)OCC=O;MEHGEPOBSMWLRM-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164123;MM164123;CC(F)=C(C)OCC#N;RNKYYAROYMUYFE-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164124;MM164124;C=CCOC(C)=C(F)F;QQCOBMYWBZXYQZ-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164125;MM164125;CC(OCC=O)=C(F)F;BSHWUXXKHRLKEB-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164126;MM164126;C#CCCC(C)=C(C)C;CADCXUCTRMKCJF-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164127;MM164127;C#CCCC(C)=C(C)F;CQBRDHICFCNPOQ-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164128;MM164128;C#CCCC(C)=C(F)F;QVIQCDDWNXVGCQ-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164129;MM164129;C#CCCC(F)=C(C)C;FAZBHGIZUKTFPV-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164130;MM164130;C#CCCC(F)=C(C)F;LQZULKHVJDWCPN-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164131;MM164131;C#CCCC(F)=C(F)F;BQVXYHYOZKTENE-UHFFFAOYSA-N;134.1;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164132;MM164132;C#CCOC(C)=C(C)C;LKQRJGKXQNDGCY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164133;MM164133;C#CCOC(C)=C(F)F;JXRDZTGKFKFFKD-UHFFFAOYSA-N;132.11;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164134;MM164134;CC=CCC(C)=C(C)C;OYXAEKLBJHKNTQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164135;MM164135;CC(C)=C(C)CC=CF;UNHOYAGVQITKKK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164136;MM164136;CC=CCC(C)=C(C)F;ZZWYBCDBMATCPI-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164137;MM164137;CC(F)=C(C)CC=CF;DOEDAEOSALBCGU-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164138;MM164138;CC=CCC(C)=C(F)F;YXKPZVBXUYDNOY-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164139;MM164139;CC=CCC(F)=C(C)C;AGEHDYJMPAKABP-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164140;MM164140;CC=CCC(F)=C(F)F;PGQGVLHAOGVHFZ-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164141;MM164141;FC=CCC(F)=C(F)F;TYPBKCLAAOIMGA-UHFFFAOYSA-N;140.08;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164142;MM164142;CC(C)=C(C)CC=NO;IDTXVCMNNYARIK-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164143;MM164143;CC(F)=C(C)CC=NO;HBZBCNVRLFVDBS-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164144;MM164144;CN=CNC(C)=C(C)C;XZLSWLAIQYCLGP-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164145;MM164145;CC(C)=C(C)N=CNN;UDUOYBSVYNDMCE-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164146;MM164146;CCc1nnn(O)c(=N)n1;JXMKGNCXKAGCFR-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164147;MM164147;CC=COC(C)=C(C)C;IHWRFQVXZJEYBB-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164148;MM164148;CC(C)=C(C)OC=CF;SUKJIWCJVYHRLL-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164149;MM164149;CC=COC(C)=C(C)F;YMGSMJOIFJWMQU-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164150;MM164150;CC(F)=C(C)OC=CF;BZMOZCKQSPRELP-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164151;MM164151;CC=COC(C)=C(F)F;YBNSWSXQMSYTCP-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164152;MM164152;CC(OC=CF)=C(F)F;NAQDJICGWZNVFQ-UHFFFAOYSA-N;138.09;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164153;MM164153;N=c1nc(CF)nnn1O;RQUOWNGZFPTDPX-UHFFFAOYSA-N;145.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164154;MM164154;CC(C)=C(C)OC=NO;RKUNAGLMHURUIV-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164155;MM164155;CNc1nnn(O)c(=N)n1;BAQIVHWEHIRIQK-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164156;MM164156;CC#CCC(C)=C(C)C;ISHJXBLAUZTUIS-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164157;MM164157;CC#CCC(C)=C(C)F;BGFQNZSALFKPEP-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164158;MM164158;CC#CCC(C)=C(F)F;QWPNNBUYZIIROA-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164159;MM164159;CC#CCC(F)=C(C)C;SXIVTPHORGMNGT-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164160;MM164160;CC#CCC(F)=C(C)F;CEQYGIGCNUMCCF-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164161;MM164161;CC#CCC(F)=C(F)F;VAKJEECDUJEBBM-UHFFFAOYSA-N;134.1;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164162;MM164162;CCC=CC(C)=C(C)C;YXDRXFOPYQDVHS-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164163;MM164163;CC(C)=C(C)C=CCO;KKJBNILAFNRPRW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164164;MM164164;CCC=CC(C)=C(C)F;HNXZMQIQOXKIBI-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164165;MM164165;CC(C=CCN)=C(F)F;OPKTYWZIXFJKJP-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164166;MM164166;CC(C=CCF)=C(F)F;JGLMMWUSMWLWMQ-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164167;MM164167;CCC=CC(F)=C(C)C;NYKIAIMNAPTFFT-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164168;MM164168;CC(C)=C(F)C=CCN;DAJKFWJWAGABDO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164169;MM164169;CC(C)=C(F)C=CCF;VITYZDJLAGOTAP-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164170;MM164170;CC(F)=C(F)C=CCF;ZRAGQXFWQONGRR-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164171;MM164171;CCC=CC(F)=C(F)F;CYTKLNXRQOTZDS-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164172;MM164172;COC=CC(C)=C(F)F;MQUARTFDEDYUBR-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164173;MM164173;CNN=CC(C)=C(C)C;XRRNYKNDHKIWKA-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164174;MM164174;CNN=CC(C)=C(C)F;UQFKFYBGBXMJRA-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164175;MM164175;CNN=CC(C)=C(F)F;CSFVIVUBGGWFND-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164176;MM164176;CNN=CC(F)=C(C)F;QSGBKYVVZDPOSV-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164177;MM164177;CNN=CC(F)=C(F)F;ORWUMGIGWPYDQO-UHFFFAOYSA-N;138.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164178;MM164178;CON=CC(C)=C(C)C;DGTJJHCNKJSHIS-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164179;MM164179;CON=CC(C)=C(C)F;BYTSBUMEDCNQBR-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164180;MM164180;CON=CC(C)=C(F)F;AQUAQLHQJFQETJ-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164181;MM164181;CON=CC(F)=C(C)C;QVSQZTWOYBSESR-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164182;MM164182;CON=CC(F)=C(C)F;NRODFWQFEIXZGH-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164183;MM164183;CON=CC(F)=C(F)F;MMCQAEDQTILQGY-UHFFFAOYSA-N;139.08;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164184;MM164184;C=CC=CC(C)=C(C)C;BNCBLTNVESIVJK-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164185;MM164185;CC(C)=C(C)C=CC=O;IUYRDKDBUQXDBT-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164186;MM164186;CC(C)=C(C)C=CC#N;KVSRYYZYJAMGIN-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164187;MM164187;CC(F)=C(C)C=CC#N;IMHYCCASPXNFNG-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164188;MM164188;CC(C=CC#N)=C(F)F;CNMHZGPMFVLZFN-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164189;MM164189;C=CC=CC(F)=C(C)C;IDSYXWROSSPVJM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164190;MM164190;CC(C)=C(F)C=CC=O;DTQHAQVMYJKYJT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164191;MM164191;CC(C)=C(F)C=CC#N;HSGJAEUMNITRBT-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164192;MM164192;C=CC=CC(F)=C(C)F;AYKPFGSZTZGYDN-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164193;MM164193;CC(F)=C(F)C=CC=O;SNZVQDOIWJBDOO-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164194;MM164194;C=NN=CC(C)=C(C)C;NFKLJUVQAVPBLL-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164195;MM164195;C=NN=CC(C)=C(C)N;BJMMKKHCGSNXEE-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164196;MM164196;C=NN=CC(C)=C(C)F;RRRLDJURSYTDIU-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164197;MM164197;C=NN=CC(C)=C(N)N;UBJIHFUGKXNWDS-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164198;MM164198;C=NN=CC(C)=C(F)F;FSWQJLKHVVUDGS-UHFFFAOYSA-N;132.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164199;MM164199;C=NN=CC(F)=C(C)C;FHFQPNTXZPRFEJ-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164200;MM164200;C=NN=CC(F)=C(C)N;DAAYLZBUCBOBOZ-UHFFFAOYSA-N;129.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164201;MM164201;C=NN=CC(F)=C(C)F;AHUMDVAOBBBBBT-UHFFFAOYSA-N;132.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164202;MM164202;C#CC=CC(C)=C(C)C;STJIGDUTFDXSLM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164203;MM164203;C#CC=CC(C)=C(C)F;IFEGTTZZFQXHSK-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164204;MM164204;C#CC=CC(F)=C(C)C;DHYNCEVBHGSZQX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164205;MM164205;C#CC=CC(F)=C(C)F;PWDCIFBRMOZFLV-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164206;MM164206;CCC#CC(C)=C(C)C;MWSDZVPQVUOJRP-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164207;MM164207;CC(C)=C(C)C#CCO;NYJSJAKYKBKKKA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164208;MM164208;CC(C)=C(C)C#CCF;FZAFEZQGCPVTQT-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164209;MM164209;CCC#CC(C)=C(C)F;CZARHEZYFPADHC-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164210;MM164210;CC(F)=C(C)C#CCF;GCJLJZISCDWUQG-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164211;MM164211;CCC#CC(C)=C(F)F;NAXQVMVVOZSKNG-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164212;MM164212;CC(C#CCO)=C(F)F;ORWFCGNXUDPUNF-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164213;MM164213;CC(C#CCF)=C(F)F;XAINAOYOAYZVNQ-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164214;MM164214;CCC#CC(F)=C(C)C;YIDLSMLCURSDOM-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164215;MM164215;CC(C)=C(F)C#CCN;OCDAHTBWMPKECR-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164216;MM164216;CC(C)=C(F)C#CCO;GOMCDHDBKKCCCB-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164217;MM164217;CC(C)=C(F)C#CCF;MOBZYPXXDLDRRK-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164218;MM164218;CCC#CC(F)=C(C)F;QFGDRVCJPWNMLF-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164219;MM164219;CC(F)=C(F)C#CCN;DRZMSPNBBUJJSG-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164220;MM164220;CC(F)=C(F)C#CCF;AFFDBMIXHAOCKI-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164221;MM164221;CCC#CC(F)=C(F)F;JZDGEOXORWDABZ-UHFFFAOYSA-N;134.1;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164222;MM164222;NCC#CC(F)=C(F)F;NOBLCYHTCBYOJY-UHFFFAOYSA-N;135.09;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164223;MM164223;OCC#CC(F)=C(F)F;FAGKZPBDWGPXGZ-UHFFFAOYSA-N;136.07;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164224;MM164224;FCC#CC(F)=C(F)F;GVXOUJDPJRSROI-UHFFFAOYSA-N;138.06;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164225;MM164225;C=CC#CC(C)=C(C)C;SQVLZFVZLNCPKP-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164226;MM164226;CC(C)=C(C)C#CC=O;TXBBBIDRBPUGNW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164227;MM164227;C=CC#CC(C)=C(C)F;BQCSUTILFUDIRZ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164228;MM164228;CC(F)=C(C)C#CC=O;SGOLGQDSXAGPLX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164229;MM164229;C=CC#CC(C)=C(F)F;AYTUSFBCTGXSTK-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164230;MM164230;CC(C#CC=O)=C(F)F;VCYGUQPZRXKCMI-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164231;MM164231;CC(C#CC#N)=C(F)F;ZKHHTRKMWQBXHK-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164232;MM164232;C=CC#CC(F)=C(C)C;RALHDXJTXBNAQX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164233;MM164233;CC(C)=C(F)C#CC=O;YNCHHSURXAOVPR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164234;MM164234;CC(C)=C(F)C#CC#N;UKGYCRVPMDTZBG-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164235;MM164235;C=CC#CC(F)=C(C)F;RRJUKRZFOZADTR-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164236;MM164236;CC(F)=C(F)C#CC#N;MSKWCFTYDBPDLU-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164237;MM164237;C=CC#CC(F)=C(F)F;QEXVDKQHDVMBPI-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164238;MM164238;O=CC#CC(F)=C(F)F;GMUPYBFCNCQNCI-UHFFFAOYSA-N;134.06;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164239;MM164239;N#CC#CC(F)=C(F)F;WZVKDRRGEIIGOM-UHFFFAOYSA-N;131.06;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164240;MM164240;C#CC#CC(C)=C(C)C;WLYVZMNQIFZLOR-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164241;MM164241;C#CC#CC(C)=C(C)F;YDHDFSDQRNDXPK-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164242;MM164242;C#CC#CC(C)=C(F)F;OKJFTBMXSBXAFO-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164243;MM164243;C#CC#CC(F)=C(C)C;FRLDVIURKINBIX-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164244;MM164244;C#CC#CC(F)=C(C)F;TZHUFLSAYRZVNO-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164245;MM164245;C#CC#CC(F)=C(F)F;IYVYZUWOOLQXAE-UHFFFAOYSA-N;130.07;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164246;MM164246;CC#CC1(C)CNC1=O;ZEGOJYASOIDNMP-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164247;MM164247;CC#CC1(C)COC1=O;OKILACMMDOUJAA-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164248;MM164248;COc1nnn(O)c(=N)n1;SQUULDCXHMVDKA-UHFFFAOYSA-N;143.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164249;MM164249;CCCC1(C)OC1CC;FHIJBHPJHQKPTO-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164250;MM164250;C=CCC1(C)CC1CC;PISRWVKYYKRHNK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164251;MM164251;CCC1CC1(C)CC#N;JPDUTSRDAOUGTI-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164252;MM164252;C=CCC1(C)CC1CN;JSMSQZSIAHQBSP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164253;MM164253;C=CCC1(N)CC1CC;WTAFYUABTZIKEH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164254;MM164254;C=CCC1(N)CC1CF;FIHFNPHJVMLNCM-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164255;MM164255;C=CCC1(C)CC1NC;HVBXUFVWBMFFLP-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164256;MM164256;CNC1CC1(C)CC#N;MBQWZWLBONREIQ-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164257;MM164257;C=CCC1(N)CC1NC;PRNQRECCVABOOU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164258;MM164258;C=CCC1(C)CC1OC;DTTVURICXGCNHF-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164259;MM164259;COC1CC1(C)CC#N;VHGYKGYRHLGJEM-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164260;MM164260;C=Cc1nnn(O)c(=N)n1;BFIYKXQLIBBVEU-UHFFFAOYSA-N;139.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164261;MM164261;CC1(NC=O)CC1CN;PYLJERWJMXZJNQ-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164262;MM164262;CNC1CC1(C)NC=O;PGODBMSHZMGXSI-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164263;MM164263;COC1CC1(C)NC=O;ZZMBSTAMEPCOPK-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164264;MM164264;CCC1CC1(C)OC=O;LBSVRQLJFRSVED-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164265;MM164265;C=NOC1(C)CC1CN;BIXRJOOANMDESE-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164266;MM164266;C=CCC1(C)NC1CN;PTOUDVYQOKSENK-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164267;MM164267;CCN1CC1(C)CC#N;MCAUBHDIMFSLQD-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164268;MM164268;C#CCC1(C)CC1CC;LODRNVBEQSSEEC-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164269;MM164269;C#CCC1(C)CC1CN;ONWOCBZEPCYJOK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164270;MM164270;N=c1nc(C=O)nnn1O;QKKLXXKXAJGGEO-UHFFFAOYSA-N;141.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164271;MM164271;C#CCC1(C)CC1CF;IUTIEMNFIZSQDH-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164272;MM164272;C#CCC1(N)CC1CC;JUHMUYSZTMLXFU-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164273;MM164273;C#CCC1(N)CC1CN;BNNZEGIZSUUPPB-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164274;MM164274;C#CCC1(N)CC1CO;OITMVJUBPHIXSU-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164275;MM164275;C#CCC1(O)CC1CN;KZHFJSBHCXOQOY-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164276;MM164276;C#CCC1(O)CC1CF;XEGTVBYRUVYREI-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164277;MM164277;C#CCC1(C)CC1NC;RRWPWNYDGHWUNA-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164278;MM164278;C#CCC1(N)CC1NC;ZKLGZJYXJOKRRF-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164279;MM164279;C#CCC1(O)CC1NC;KBSVEOBQVBDFOR-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164280;MM164280;C#CCC1(C)CC1OC;ORDAUIUGIOWJAA-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164281;MM164281;C#CCC1(C)NC1CN;BRALSQOYNXTBDO-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164282;MM164282;C#CCC1(C)NC1CF;WFZJCYIZXIEPPW-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164283;MM164283;CCCC1(C)CC1C#N;FQOKAWVZGBMKDY-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164284;MM164284;C=CC1CC1(C)NCC;IKRKBJTVILBYBZ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164285;MM164285;C=CC1OC1(C)COC;SFPTUGNYUVJADY-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164286;MM164286;CCCC1(C)CN1C=N;QSYMSLAHSCTOKO-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164287;MM164287;CC1(CCN)CN1C=N;HLLAJRFRQMNYNP-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164288;MM164288;CC1(CCO)CN1C=N;QQQKLMNDUOXSQU-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164289;MM164289;CCCC1(C)CN1C=O;USAWTBADHLWDDC-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164290;MM164290;CC1(CCF)CN1C=O;CEUKXOJCDVWGQL-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164291;MM164291;CNCC1(C)CN1C=N;NKSLIVTZQNXAAF-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164292;MM164292;CNCC1(C)CN1C=O;ICHILPWHDHSRKD-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164293;MM164293;COCC1(C)CN1C=N;WGTHFNBMXMFIDF-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164294;MM164294;C=NN1CC1(C)CCC;HEOPFYFZPRIYNP-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164295;MM164295;C=NN1CC1(C)CNC;CTQOSVDVNHTYQV-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164296;MM164296;C=NN1CC1(C)COC;CECTXEUWRURUKD-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164297;MM164297;C=CCC1(C)CC1C=C;QWUOYNDKIUUEEM-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164298;MM164298;C=CC1CC1(C)CC=O;DHBYXQAUXYKJOZ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164299;MM164299;C=CC1CC1(C)CC#N;SVZZNIXKXCMKSG-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164300;MM164300;C=CCC1(C)CC1C=O;DUFRFHPIZCXDAJ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164301;MM164301;C=CCC1(C)CC1C#N;CWAILZNEUJIFKF-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164302;MM164302;CC1(CC#N)CC1C#N;JAAWUEJZJSUVMP-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164303;MM164303;C=COC1(C)CC1C=C;DBSBMGIRRAVLEK-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164304;MM164304;C=CC1CC1(C)OC=O;RSFJLRUJCCWVAQ-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164305;MM164305;C=CC1CC1(C)ON=C;HOQXJINMGOKZPF-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164306;MM164306;CC1(CC#N)OC1C#N;KQXGPYOFTKLKRE-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164307;MM164307;C=CCC1(C)CN1C=N;WGYHMJWJOFMFPL-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164308;MM164308;CC1(CC=O)CN1C=N;CXVNYXHMPOUBLJ-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164309;MM164309;C=CCC1(C)CN1C=O;MTIPPHJLOOXRQY-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164310;MM164310;C=CCC1(C)CN1N=C;BZVMGQBELODCNO-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164311;MM164311;N#Cc1nnn(O)c(=N)n1;GTAFUBFPGVYYPT-UHFFFAOYSA-N;138.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164312;MM164312;C#CCC1(C)CC1C=C;DSITZSIISBMUEN-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164313;MM164313;C#CCC1(C)CC1C=O;UXRVUIJATZQXMC-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164314;MM164314;C#CCC1(N)CC1C=C;AMQZFNISOUAXGB-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164315;MM164315;C#Cc1nnn(O)c(=N)n1;HHRWKICRNUBVHF-UHFFFAOYSA-N;137.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164316;MM164316;C#CCC1(O)CC1C=O;PHLZRZPAVLBZGB-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164317;MM164317;C#CCC1(O)CC1C#N;LAUBXKCMNYKISD-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164318;MM164318;C#CCC1(F)CC1C#N;YXHQCFHMFXFESC-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164319;MM164319;C=CC1C(C(=O)NN)N1C;UVFLWJBRSTXCHV-UHFFFAOYSA-N;141.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164320;MM164320;C#CCC1(C)NC1C#N;JERWFXWDFWDLGE-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164321;MM164321;C#CCC1(C)OC1C=C;USEYBTOXFPJKKD-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164322;MM164322;C#CCC1(C)CN1N=C;YGWALZAZYMGASN-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164323;MM164323;C#CC1CC1(C)CCC;BYZZMXUZYWDJCL-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164324;MM164324;CC=CC1NC1C(=O)NN;WFCGMUJBWSVXTD-UHFFFAOYSA-N;141.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164325;MM164325;C#CC1CC1(C)CC#N;YLLARBIZYXAOTO-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164326;MM164326;C#CC1CC1(N)CC=C;HKPKEBRKHQODGQ-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164327;MM164327;C#CC1CC1(C)OC=O;SCONRQYZCOVGSU-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164328;MM164328;C#CC1NC1(C)CC=C;FFZXXNZVNBZPCP-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164329;MM164329;C#CCC1(N)CC1C#C;SDCKMPBWGJXWMV-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164330;MM164330;NN=C1C=C(N)OC1;DWXOTLUCQCFGAY-UHFFFAOYSA-N;113.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164331;MM164331;C#CCC1(F)CC1C#C;PGMSRRLJVCFIHQ-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164332;MM164332;C#CCC1(C)NC1C#C;FAUQICWZWQUVTN-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164333;MM164333;C#CCC1(C)OC1C#C;ZXQLSIVFXRXXAE-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164334;MM164334;CC#CC1(C)CC=CC1;CMHHBTZZZHTKED-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164335;MM164335;CC#CC1(N)CC=CC1;NDXQGXIIGLPYKC-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164336;MM164336;CC#CC1(C)C=CCC1;YKPPADKTPNMJSG-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164337;MM164337;CC#CC1(N)C=CCC1;WTSLLZJTANCFAT-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164338;MM164338;CC#CC1(O)C=CCC1;SFCQBRJZDFCLQO-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164339;MM164339;CC#CC1(O)C=NNC1;ZUFUOXJBRMRFSI-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164340;MM164340;CC#CC1(O)C=COC1;SRVANFLTAUUFNS-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164341;MM164341;CCCC1(C)C(C)C1C;MRMUCPFONKJYRR-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164342;MM164342;CC1C(C)C1(C)CCN;VWCHHCDZUPNULE-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164343;MM164343;CCCC1(C)C(N)C1N;QLVKFUUCUYKFLR-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164344;MM164344;CC1(CCN)C(N)C1N;FGINSAKPIXKZFL-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164345;MM164345;CC1(CCF)C(N)C1N;MNGIUWIYIFDSQH-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164346;MM164346;CCCC1(N)C(C)C1C;SDHZPYDCCIHAOH-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164347;MM164347;CCCC1(N)C(C)C1N;HCKDAEOBUWQGPQ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164348;MM164348;CCCC1(N)C(N)C1N;GZNJBPGRYRRQHR-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164349;MM164349;CNCC1(C)C(C)C1C;YQGCLRPPQOAEBC-UHFFFAOYSA-N;127.23;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164350;MM164350;CNCC1(N)C(C)C1C;QMMYSGYOFSDMFM-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164351;MM164351;CNCC1(N)C(C)C1N;XLANOSZNQKZPOZ-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164352;MM164352;CNCC1(O)C(C)C1C;OLPIWBHLDIYCCJ-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164353;MM164353;CNCC1(F)C(C)C1C;JNQGAKBZQRKREE-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164354;MM164354;COCC1(C)C(C)C1N;VAANXILNOJXFKA-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164355;MM164355;COCC1(C)C(C)C1O;UXDDMFHMIXUYAD-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164356;MM164356;COCC1(C)C(N)C1N;GZEASZIZBPLVRL-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164357;MM164357;COCC1(N)C(C)C1C;ARHKJDHQQRHJLQ-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164358;MM164358;CCNC1(C)C(C)C1C;LGTVEFLRLSKNCE-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164359;MM164359;CCNC1(C)C(C)C1O;PJOOZGYZKAWNSE-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164360;MM164360;CCNC1(C)C(N)C1N;DKUVLWRBQDAMQQ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164361;MM164361;CCOC1(C)C(C)C1C;NUSJFHXYJKGVKO-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164362;MM164362;CCOC1(C)C(C)C1N;CPQFGRAOYRAGFV-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164363;MM164363;CCOC1(C)C(N)C1N;LHGUCXHYFIEHHJ-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164364;MM164364;CNCC1(C)C(C)N1C;PGBZCTJZQFFMED-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164365;MM164365;C=CCC1(C)C(C)C1C;HDKCPGQIMVEHQX-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164366;MM164366;CC1C(C)C1(C)CC=O;BJIHNGYXFIZFFZ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164367;MM164367;CC1C(C)C1(C)CC#N;QZWPRSRDRBKEOZ-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164368;MM164368;CC1C(O)C1(C)CC#N;DOXOFSYWAFNAKB-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164369;MM164369;CC1(CC=O)C(O)C1O;VJRFRALAPGHHOV-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164370;MM164370;C=CCC1(N)C(C)C1C;GTJDPRZAEJQZCM-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164371;MM164371;CC1C(C)C1(F)CC#N;GUHOTHCSHZFICJ-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164372;MM164372;CC1C(N)C1(C)NC=N;SCBUVXINDMJJGL-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164373;MM164373;CC1C(N)C1(C)NC=O;BJNPMGFGMGVLNZ-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164374;MM164374;CC1(NC=O)C(N)C1N;QOMVAWXOKJAMQJ-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164375;MM164375;C=NNC1(C)C(C)C1C;PSBJNNHXUAJSQF-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164376;MM164376;C=NNC1(C)C(C)C1N;DEVDTCZINDMNPM-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164377;MM164377;C=COC1(C)C(C)C1C;RNBSPGIRNDGYFX-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164378;MM164378;C=COC1(C)C(C)C1O;ISSFKEOMQVRQHX-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164379;MM164379;C=COC1(C)C(C)C1F;KITBGAUIRLDXJC-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164380;MM164380;C=COC1(C)C(N)C1N;DANMABGWPSOXDB-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164381;MM164381;C=COC1(C)C(N)C1O;ACKBUIQZESDGJQ-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164382;MM164382;C=NOC1(C)C(C)C1C;ZPDGSQHNSBEZBB-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164383;MM164383;CC1N(C)C1(C)CC#N;WIRQBHSUKJYNAY-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164384;MM164384;C#CCC1(C)C(C)C1C;CAQRMIMMICYRHI-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164385;MM164385;CC(F)C=CC(=O)NN;ZLJDAORIDBDJBG-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164386;MM164386;C#CCC1(C)C(C)C1F;SKSXXZKAWPNTKX-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164387;MM164387;C#CCC1(C)C(O)C1O;KNISYRNXCHDXDE-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164388;MM164388;C#CCC1(N)C(C)C1C;BXOUGZRPSPENTH-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164389;MM164389;C#CCC1(N)C(C)C1N;AWFVBOMBYQASRO-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164390;MM164390;CC(C=NN)NNC=O;GJZCNYRUWCJYBM-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164391;MM164391;CC(C)C1(O)CNC1C;CRAXMNPLZCMNBF-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164392;MM164392;CC(C)C1(O)COC1C;LSQFFVCWQJRXES-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164393;MM164393;C=C(C)C1(O)COC1C;CZKGEUUGCZNCPT-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164394;MM164394;C=C(C)C1(C)CCN1C;LMWSFBXTXLNDEJ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164395;MM164395;CN1CCC1(C)C(=N)N;HRJHZRMCMVHEIF-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164396;MM164396;CC(C)C1(C)CCC1=O;SHOMKHWLVKFUGY-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164397;MM164397;CC(C)C1(C)CNC1=O;LYLDNCFHHXGUHN-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164398;MM164398;CC(C)C1(C)COC1=O;WYFLIOQMTWVSQM-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164399;MM164399;C=C(C)C1(C)CCC1=O;UOFGPXUCGLABHR-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164400;MM164400;C=C(C)C1(F)CCC1=O;FFHHESMQVZECPA-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164401;MM164401;C=C(C)C1(O)CNC1=O;IDRHIGQAEZGPES-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164402;MM164402;C=C(C)C1(C)COC1=O;LYJKPFGPHYQRMF-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164403;MM164403;CCC(C)C1(C)CC1C;JECADYKFRWVMOU-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164404;MM164404;CC(CN)C1(C)CC1C;HXBHESJZNCODFE-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164405;MM164405;CC(CF)C1(C)CC1C;KNGFPMMGCZKLSC-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164406;MM164406;CCC(N)C1(C)CC1C;LVDZSWWWTJLINM-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164407;MM164407;CC1CC1(C)C(N)CN;VHEGWYPPXPDRGD-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164408;MM164408;CC1CC1(C)C(O)CF;SRBUDUNZGRKDON-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164409;MM164409;CCC(C)C1(C)CC1N;MAXCASUGYXDLJS-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164410;MM164410;CC(CN)C1(C)CC1N;IVLLUUIZYNXBPI-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164411;MM164411;CCC(N)C1(C)CC1N;MORNKUHTWFZINX-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164412;MM164412;CC1(C(O)CO)CC1N;XGSOCSBZGDRDHS-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164413;MM164413;C=NOCC1(O)CC1F;OUCBJMXLRFTTHN-UHFFFAOYSA-N;133.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164414;MM164414;CC(CN)C1(C)CC1O;VJOHRSIYVYJGHX-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164415;MM164415;CC(CO)C1(C)CC1O;ODNBMMZWFHXBKP-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164416;MM164416;CCC(C)C1(C)CC1F;HLPXVDUXNVSWAM-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164417;MM164417;CCC(N)C1(C)CC1F;XHMSJGHVUSPSON-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164418;MM164418;CCC(F)C1(C)CC1F;XSLSHDVSODBFEH-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164419;MM164419;CCC(C)C1(N)CC1C;SWFBWFZIASLECH-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164420;MM164420;CC(CN)C1(N)CC1C;JPBKCYMZMDVEPI-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164421;MM164421;CC(CF)C1(N)CC1C;SFIIRRNYAHYXDE-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164422;MM164422;CCC(N)C1(N)CC1C;PKVPZVQKFPIDPY-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164423;MM164423;CC1CC1(N)C(N)CN;AIBUUSIHDZDNJC-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164424;MM164424;CCC(C)C1(N)CC1N;HEFACWGGXMEWMG-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164425;MM164425;CC(CN)C1(N)CC1N;WUZZUPXXYRTZSP-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164426;MM164426;CC(CF)C1(N)CC1N;GGYAAHPXMMUTLD-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164427;MM164427;CCC(N)C1(N)CC1N;YWRKPEXONJGEJT-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164428;MM164428;CCC(C)C1(N)CC1O;NPYYSMWIIYIIIJ-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164429;MM164429;CC(CN)C1(N)CC1O;IQDKFDIZZNHQCK-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164430;MM164430;CCC(N)C1(N)CC1O;VTEMLSXZUSZOEJ-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164431;MM164431;CCC(C)C1(N)CC1F;HAMMKXPIYABSPN-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164432;MM164432;CCC(N)C1(O)CC1N;CBCLSSACPHTZBN-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164433;MM164433;CCC(C)C1(O)CC1O;GSMMGKBHSUCHKS-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164434;MM164434;CNC(C)C1(C)CC1C;VTETZFTZINERGU-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164435;MM164435;CNC(C)C1(C)CC1F;KJIFJQPSQLPORC-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164436;MM164436;CNC(C)C1(N)CC1C;ZXZLSGCIAOYNOL-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164437;MM164437;CNC(C)C1(N)CC1N;JGYNIOYTFMTLEC-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164438;MM164438;CNC(C)C1(O)CC1C;HMPJLMUOGGRCRY-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164439;MM164439;CCN(C)C1(C)CC1C;YTKJHSASVZMBGJ-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164440;MM164440;CCN(C)C1(C)CC1N;IGVPGSWSNXVRKC-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164441;MM164441;CCN(C)C1(C)CC1O;ZKPYNQMGKXWIDR-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164442;MM164442;CC(CN)C1(C)NC1C;MGEKQORHHNDBBU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164443;MM164443;CCC(N)C1(C)NC1C;QBAOXWMYIQFIEX-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164444;MM164444;CNC(C)C1(C)NC1C;LBRWFWPPLWBZTO-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164445;MM164445;CCC(C)C1(C)OC1C;NSRVRJWVOWMNCJ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164446;MM164446;CC(CF)C1(C)OC1C;RYLDFDZDPDKBRZ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164447;MM164447;CCC(N)C1(C)OC1C;AWPPFTCMCPWKHW-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164448;MM164448;CNC(C)C1(C)OC1C;VKXCFVYCGDNVGM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164449;MM164449;CCC(N)C1(C)CN1C;OPDZBWYHDNSNRX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164450;MM164450;CN1CC1(C)C(N)CN;UPEONTPPVFPUCT-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164451;MM164451;CNC(C)C1(C)CN1C;HKABOOOBYVFCPZ-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164452;MM164452;C=CC(C)C1(C)CC1C;DMAMAGAXJQNUIW-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164453;MM164453;CC(C=O)C1(C)CC1C;WQOFFHKZRBNPCZ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164454;MM164454;CC(C#N)C1(C)CC1C;GQGSVQZIBBNBBS-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164455;MM164455;C=CC(=O)NNCCO;NTSGOIZYYXAEGE-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164456;MM164456;CC1CC1(C)C(O)C#N;RMZOJGVOJGVUQH-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164457;MM164457;CC1CC1(C)C(F)C#N;JTAAOLSTQROTSV-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164458;MM164458;C=CC(N)C1(C)CC1N;CMKUMRSOICSICA-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164459;MM164459;C=CC(CO)C(=O)NN;LEAIVKNQNNLELW-UHFFFAOYSA-N;130.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164460;MM164460;CC(C=O)C1(C)CC1O;UVBWMCDHVLSGTL-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164461;MM164461;CC(C#N)C1(C)CC1O;DMCVILOAGPKUNN-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164462;MM164462;C=CC(N)C1(C)CC1O;UWWJPQQOFWBHSY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164463;MM164463;C=CC(O)C1(C)CC1O;DUXSMGQLXTVVRX-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164464;MM164464;CC1(C(O)C#N)CC1O;RQQSEQDDUVJTKW-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164465;MM164465;CC(C#N)C1(C)CC1F;DGYQBWNTILMGHY-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164466;MM164466;C=CC(C)C1(N)CC1C;SQPRKKNQQQUJCX-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164467;MM164467;C=CC(N)C1(N)CC1C;WUCRVOSKTQOTQZ-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164468;MM164468;C=CC(F)C1(N)CC1C;HVVGASUWXMTWJZ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164469;MM164469;CC1CC1(O)C(O)C#N;ZHHAYPDWXKSSGH-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164470;MM164470;CC(C#N)C1(F)CC1C;YJZXNYNFHANAAA-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164471;MM164471;CC1CC1(C)N(C)C=O;BRVKFEZNJCHOCA-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164472;MM164472;CN(C=N)C1(C)CC1N;WKPFWBAVKMKGRX-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164473;MM164473;CN(C=O)C1(C)CC1N;HEQSXMDQAFLTAP-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164474;MM164474;CN(C=N)C1(C)CC1O;BPBFONPBMFEOSS-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164475;MM164475;CN(C=O)C1(C)CC1O;HJRBTIWGLNXABG-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164476;MM164476;CC1(N(N)C=N)CC1O;PGYTVFHBDBFSAA-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164477;MM164477;C#CC(=NN)C(O)CO;FEDPTWYJNDPUPX-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164478;MM164478;CN(C=O)C1(C)CC1F;ABFIXROEUNTWNQ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164479;MM164479;CC1(N(N)C=N)CC1F;DTQLFWXNLINPBT-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164480;MM164480;C=NN(C)C1(C)CC1N;BKUQGSHBONOJHR-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164481;MM164481;C=CC(CO)NNC=O;JYWBKBADNJUJRZ-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164482;MM164482;CC(C#N)C1(C)NC1C;QEBBSSDCVDQTMD-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164483;MM164483;C=CC(N)C1(C)NC1C;MXGRKGNUXBBPAS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164484;MM164484;C#CC(=NN)NNC=O;KYOWRUCRJWJGBH-UHFFFAOYSA-N;126.12;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164485;MM164485;C#CCNC(=O)C1CN1;DFARXMVPQUEKPT-UHFFFAOYSA-N;124.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164486;MM164486;CC1NC1(C)C(F)C#N;KESLJMNILAPRNS-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164487;MM164487;C=CC(C)C1(C)OC1C;IXQMZIMCFMJIJY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164488;MM164488;CC(C=O)C1(C)OC1C;DKMMBYUNDGJBIF-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164489;MM164489;CC(C#N)C1(C)OC1C;SBQDRNYYTYKZHD-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164490;MM164490;C=CC(N)C1(C)OC1C;RCCJRSTUYVJRIY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164491;MM164491;CC1OC1(C)C(O)C#N;FMYGZOXFSVMKMJ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164492;MM164492;CC1OC1(C)C(F)C#N;MVMWCIGXRAGIFD-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164493;MM164493;CC(=O)NNC(C)(C)CO;URKXXPNQJCUHCT-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164494;MM164494;CC(C#N)C1(C)CN1C;LQJKWJFSFVWHHU-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164495;MM164495;C=CC(N)C1(C)CN1C;YKIYSARWUNGEQL-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164496;MM164496;C=NNCCC(F)(F)CO;XGZQVLGFZNHSAU-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164497;MM164497;CN(NC=O)C(C)(C)CO;GPUFSATWKHXGAP-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164498;MM164498;C=CC(F)C1(C)CN1C;LVMKMXHAIJPCTE-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164499;MM164499;CN1CC1(C)C(F)C#N;WPQILQHVQKPDMY-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164500;MM164500;C#CC(C)C1(C)CC1C;YDUQZCALBXHCMP-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164501;MM164501;C#CC(N)C1(C)CC1C;FBEUKAIPZUHZSI-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164502;MM164502;C#CC(F)C1(C)CC1C;AJEMANWGRVYRBX-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164503;MM164503;C#CC(C)C1(C)CC1N;FJMBQTAEPZKQRR-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164504;MM164504;C#CC(N)C1(C)CC1N;WBHGGBDSWPQKTB-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164505;MM164505;C#CC(O)C1(C)CC1N;RGABSSKMFHYZSH-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164506;MM164506;C#CC(F)C1(C)CC1N;RMSLHJOBQQRKGZ-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164507;MM164507;CC=CC(F)C(O)C=NN;FBZFMMLGAFRSNC-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164508;MM164508;C#CC(N)C1(C)CC1O;AXKRBYPNNDUFSI-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164509;MM164509;C#CC(N)C1(C)CC1F;USBBQPXZOIDVQO-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164510;MM164510;C#CC(C)C1(N)CC1C;JTAWJWRFWDDLGK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164511;MM164511;C#CC(N)C1(N)CC1C;SCJUJEUNJVVISA-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164512;MM164512;C#CC(C)C1(N)CC1N;OVTJIXSMVLZTHV-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164513;MM164513;C#CC(O)C1(N)CC1N;LQONBSIJZYNOIT-UHFFFAOYSA-N;126.16;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164514;MM164514;C#CC(C)C1(N)CC1O;RFACCWOPLMIFOH-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164515;MM164515;C#CC(N)C1(C)NC1C;UNUKSNWMJJEGNI-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164516;MM164516;C#CC(F)C1(C)NC1C;GHZZXDUHLKGVJJ-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164517;MM164517;C#CC(C)C1(C)OC1C;HPWXQOPRZIBPEF-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164518;MM164518;C#CC(N)C1(C)OC1C;UIWCBVHHDFMESL-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164519;MM164519;C#CC(O)C1(C)OC1C;PRGCRTBVDXDQGK-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164520;MM164520;C#CC(F)C1(C)OC1C;DBXUWQVEVDQNPP-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164521;MM164521;C#CC(N)C1(C)CN1C;FOASNGJQNSHMJV-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164522;MM164522;CNNC(=O)C(C)=COC;GFNHSQXJXRPYNA-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164523;MM164523;C#CC(F)C1(C)CN1C;ABHGZOMJEAEVLP-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164524;MM164524;C=C(CC)C1(C)CC1C;LAKNGIQJJMNNKN-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164525;MM164525;C=C(CN)C1(C)CC1C;PABJDRVYIONBEU-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164526;MM164526;C#CC(C)(O)C1CN1N=C;DKJVUGAOYCFNKS-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164527;MM164527;C=C(CF)C1(C)CC1C;FXLWBQODGXHXSC-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164528;MM164528;CC1CC1(C)C(=O)CO;MFRCIFGPQRADOJ-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164529;MM164529;C=C(CC)C1(C)CC1N;GMAVGFISEQAIDK-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164530;MM164530;C=C(CN)C1(C)CC1N;IZWNLJHOOAMXEY-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164531;MM164531;C=C(CF)C1(C)CC1N;MLOOFXAYUXDUMN-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164532;MM164532;C=C(CN)C1(C)CC1O;MJEYDTKHGRHYJZ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164533;MM164533;C=C(CC)C1(N)CC1C;LUUOHVPIPHOSHH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164534;MM164534;C=C(CF)C1(N)CC1C;CQZUHAWUJIPDHX-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164535;MM164535;C=C(CO)C1(N)CC1N;JPWCARVVNJDMQV-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164536;MM164536;C=C(CF)C1(O)CC1C;YPWAMCPWWZVHBT-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164537;MM164537;CNC(=N)C1(C)CC1C;ZYNJUMAMPZKMLV-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164538;MM164538;CC1CC1(C)C(=N)NN;DGHKGOMDJHWNIF-UHFFFAOYSA-N;127.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164539;MM164539;CC1CC1(C)C(=N)NO;DCNQXOOPWZCKLJ-UHFFFAOYSA-N;128.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164540;MM164540;C#CCCN(C)C(=O)NN;QMAGCPXFVGXCAQ-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164541;MM164541;C#CC(O)CON=CCO;PNSQBXNTEJFISF-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164542;MM164542;CC1CC1(C)C(=O)NO;AEAAFOCGERYEFZ-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164543;MM164543;CNC(=N)C1(C)CC1N;WCKHYHWFJHVMLE-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164544;MM164544;CNC(=O)C1(C)CC1N;AYPGJXVKXRGPNP-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164545;MM164545;CNC(=N)C1(C)CC1F;LCVFZARFAPSOPL-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164546;MM164546;CNC(=N)C1(N)CC1C;PEXLIYWWLIVJRL-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164547;MM164547;CC1CC1(N)C(=N)NO;PNGHILVFNOOBGF-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164548;MM164548;CNC(=O)C1(O)CC1C;WTDFRZIBRWTGSL-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164549;MM164549;CC1CC1(O)C(=O)NO;OCAFOMBYVKOIQX-UHFFFAOYSA-N;131.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164550;MM164550;C=C(OC)C1(C)CC1C;BGMBDMPYBJSOBU-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164551;MM164551;C=C(OC)C1(C)CC1N;WPSZNLSSSYFAQR-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164552;MM164552;COC(=O)C1(C)CC1N;BUYSXDDGJKOWCI-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164553;MM164553;C=C(OC)C1(N)CC1C;AREAFQBUGGPHRV-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164554;MM164554;C=C(OC)C1(N)CC1N;CAESXYNMUDULAQ-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164555;MM164555;C=C(OC)C1(O)CC1C;UBKNHIPAOYOQAY-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164556;MM164556;COC(=O)C1(O)CC1C;UNTAVRBZXMKDQO-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164557;MM164557;C=CC#CCCC(=O)NN;JCAUPGKTMQYEQR-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164558;MM164558;CNC(=N)C1(C)NC1C;UYZLCYWPSXVKRQ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164559;MM164559;CC1NC1(C)C(=N)NN;NEXYTAGRGGVZDB-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164560;MM164560;CC(N)=C(C#N)C(O)CF;VJMMMNQROXQTPB-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164561;MM164561;N#Cc1nc(=N)n(O)n1O;KYYNEGKVSJPYEB-UHFFFAOYSA-N;141.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164562;MM164562;CC1NC1(C)C(=O)NO;HBLNLQXBKBFLJJ-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164563;MM164563;C=C(OC)C1(C)NC1C;TXOMQAYHZQNLAM-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164564;MM164564;COC(=O)C1(C)NC1C;UXDCQZWURGZYGU-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164565;MM164565;C=C(CC)C1(C)OC1C;MDWBPVJFGHFHMZ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164566;MM164566;C=C(CF)C1(C)OC1C;YHBUVJCNOIMFGK-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164567;MM164567;CCC(=O)C1(C)OC1C;NRCLPZKKPNOPGA-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164568;MM164568;CNC(=N)C1(C)OC1C;SAPKHEGURZIIRM-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164569;MM164569;CNC(=O)C1(C)OC1C;BRBNQWXSXOSFGB-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164570;MM164570;CCCC#CCNNC=O;CRHIFVYBBGXUEJ-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164571;MM164571;C=C(OC)C1(C)OC1C;KVEROHJITDEFNO-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164572;MM164572;C=CCNNC(N)=O;GGTKKGLWLSUFNW-UHFFFAOYSA-N;115.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164573;MM164573;CNC(=N)C1(C)CN1C;PUGICFPQLWMMFC-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164574;MM164574;C=NN=CNNC=O;FGZFINHPCSOWCX-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164575;MM164575;N=c1nc2c(co1)CO2;QPXVLEQNCGKOGW-UHFFFAOYSA-N;124.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164576;MM164576;C=C(OC)C1(C)CN1C;BXASVCRGBFDQFC-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164577;MM164577;COC(=O)C1(C)CN1C;OFHDDTHNWLJRLV-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164578;MM164578;C=CC(=C)C1(C)CC1C;XNSBQVPTRBPZLO-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164579;MM164579;C=C(C=O)C1(C)CC1C;ILIVMRRDDJPHJO-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164580;MM164580;C=C(C#N)C1(C)CC1C;STWXPEVSZAMWPZ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164581;MM164581;C=CC(=O)C1(C)CC1C;FSJSAMVXSGNZCX-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164582;MM164582;CC1CC1(C)C(=O)C=O;YLROZPVEVNSPSS-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164583;MM164583;CC1CC1(C)C(=O)C#N;VZKJLVFGEHNASM-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164584;MM164584;C=C(C#N)C1(C)CC1O;NMSPSVFYRNBZNV-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164585;MM164585;C=CC(=C)C1(N)CC1C;HPSCGWLHYUKQNT-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164586;MM164586;C=CC(=C)C1(N)CC1N;BSNMSQNZXICJHC-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164587;MM164587;C=CC(=C)C1(N)CC1O;FMHIBWVPLMCJEI-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164588;MM164588;C=C(C#N)C1(O)CC1C;MHXZHOURCNXKSB-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164589;MM164589;CC1CC1(O)C(=O)C#N;VPYRLOYLUNMNKQ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164590;MM164590;CC1CC1(F)C(=O)C#N;LTGIMJMSHSFAJL-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164591;MM164591;C=C(C=O)C1(C)NC1C;YEMMKGXKSAFIPH-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164592;MM164592;C=C(C#N)C1(C)NC1C;SQFSBEXYQONNTB-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164593;MM164593;CC1NC1(C)C(=O)C=O;LSVYHHOAQYFXKU-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164594;MM164594;CC1NC1(C)C(=O)C#N;PMHVSXYZYURJDS-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164595;MM164595;C=C(C=O)C1(C)OC1C;USIINMOHXHMFGP-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164596;MM164596;C=C(C#N)C1(C)OC1C;ORQYFWATZKMETM-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164597;MM164597;CC1OC1(C)C(=O)C#N;QXZDIIMLNLKZKF-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164598;MM164598;C=C(C#N)C1(C)CN1C;BAKKICFFISJGHX-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164599;MM164599;C=CC(=O)C1(C)CN1C;ITWVXDZMKRDVMH-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164600;MM164600;CN1CC1(C)C(=O)C=O;QNSVJNCIQKJTIL-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164601;MM164601;CN1CC1(C)C(=O)C#N;ZSPFPSZENCAOGM-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164602;MM164602;C#CC(=C)C1(C)CC1C;QVJIXHQBCILRRH-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164603;MM164603;C#CC(=O)C1(C)CC1C;ONHJQGSVFHEESO-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164604;MM164604;C#CC(=C)C1(C)CC1N;WZFDSFGWZTUIFM-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164605;MM164605;CC(C(=O)NN)N1CC1;MQNPPQPVEQVMAY-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164606;MM164606;C#CC(=O)C1(C)CC1O;HGDIRPNFULIKSM-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164607;MM164607;C#CC(=C)C1(N)CC1C;DGQJFDNOJOOWDV-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164608;MM164608;C#CC(=C)C1(N)CC1O;ULGDWPUJZDHBLM-UHFFFAOYSA-N;123.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164609;MM164609;CC(C)(O)COC(=O)NN;GGICQAJKKLIOOT-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164610;MM164610;C#CC(=O)C1(O)CC1C;DSXVBJVXZRWFHJ-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164611;MM164611;C#CC(=O)C1(F)CC1C;GFXZAPNWNMEGLJ-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164612;MM164612;C#CC(=C)C1(C)NC1C;KYMLRUSIZHVKKH-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164613;MM164613;CC(C)(CC=O)NNC=O;YGLRJXLCHGHGNQ-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164614;MM164614;C#CC(=O)C1(C)OC1C;QHJGHBFLOPSTQF-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164615;MM164615;CC(CCO)OC(=O)NN;NXTFDDOGMRSQPY-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164616;MM164616;CCCCC1(C)CC1C;NJXYOMGXEXCPLI-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164617;MM164617;CC1CC1(C)CCCN;NTSQTJAWVUVFEI-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164618;MM164618;CC1CC1(C)CCCO;LNXOKTHUAYVOBY-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164619;MM164619;CC1CC1(C)CCCF;CACARUGGSGZXOO-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164620;MM164620;CCCCC1(C)CC1N;AXJOQAGNJPMWGM-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164621;MM164621;CC1(CCCN)CC1N;ROWLTZDJXSRRIB-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164622;MM164622;CC1(CCCO)CC1N;ZHXNALQGCFODNR-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164623;MM164623;CC1(CCCF)CC1N;SXVLWGLJOKIUIJ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164624;MM164624;CC(C)C(=O)NNCCO;BHGXWFBFRZQONX-UHFFFAOYSA-N;146.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164625;MM164625;CC1(CCCN)CC1O;QBSGIZATFNCFBX-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164626;MM164626;CCCCC1(C)CC1F;NMUJFTDAZIXYHN-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164627;MM164627;CCCCC1(N)CC1C;YCSVJYTUHDVFLQ-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164628;MM164628;CC1CC1(N)CCCN;JLXCISRHCBPRIW-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164629;MM164629;CC1CC1(N)CCCO;ZSPXCHSCRMGBPD-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164630;MM164630;CC1CC1(N)CCCF;FYEBJAWOIBUYOP-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164631;MM164631;CCCCC1(N)CC1N;TUJOQSFLHWPKHG-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164632;MM164632;NCCCC1(N)CC1N;YXAQTDODMARROZ-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164633;MM164633;NC1CC1(N)CCCO;LKIOOEHUUHLVNW-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164634;MM164634;NC1CC1(N)CCCF;RUQYQCDIWYWOBC-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164635;MM164635;CCCCC1(N)CC1O;FHRIHGTVRNDJSK-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164636;MM164636;NCCCC1(N)CC1O;OHWUNOBRKPXCSX-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164637;MM164637;NC1(CCCF)CC1O;LIXYFTQZFJMTDZ-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164638;MM164638;NCCCC1(N)CC1F;BGVOTKNEUMWBFI-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164639;MM164639;NC1(CCCO)CC1F;JTMNTMSYIBUGJL-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164640;MM164640;Cn1nc(CC#N)oc1=N;FFFYKVBNAIGMAN-UHFFFAOYSA-N;138.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164641;MM164641;CC1CC1(O)CCCN;YXFNAWTYEDGNIW-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164642;MM164642;CC1CC1(O)CCCO;RDPNLAYMAJEHMM-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164643;MM164643;CC1CC1(O)CCCF;WPLJCDWVXQVSCL-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164644;MM164644;CCCCC1(O)CC1N;GVINITAKPVFDBW-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164645;MM164645;NCCCC1(O)CC1N;AJXCSSYXSRBZNN-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164646;MM164646;NC1CC1(O)CCCO;WKVNVOQPQGDKOH-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164647;MM164647;NC1CC1(O)CCCF;RRHQPPFSWDSUSO-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164648;MM164648;CCCCC1(O)CC1O;QQFMUHWQZZLGFX-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164649;MM164649;NCCCC1(O)CC1O;LVSIZFAGVRKTBB-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164650;MM164650;OCCCC1(O)CC1O;DGQZFNBMAUQRAO-UHFFFAOYSA-N;132.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164651;MM164651;OC1CC1(O)CCCF;PUTQJBGUQMOSGV-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164652;MM164652;NCCCC1(O)CC1F;LPWWNBBNJROGQV-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164653;MM164653;CCCCC1(F)CC1C;FGGZWTQLRAMYGN-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164654;MM164654;CC1CC1(F)CCCN;OWCZELSJASAPCG-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164655;MM164655;CC1CC1(F)CCCO;KLNDQGCJIICATJ-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164656;MM164656;CC1CC1(F)CCCF;JCRXCOBODXAHHQ-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164657;MM164657;CCCCC1(F)CC1N;LJSNYLUJGXIBQP-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164658;MM164658;NCCCC1(F)CC1N;RXTFFUWLJPAECA-UHFFFAOYSA-N;132.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164659;MM164659;NC1CC1(F)CCCO;MSXRRMMCNKVFKK-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164660;MM164660;NC1CC1(F)CCCF;SZLSYIWVEDZVPE-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164661;MM164661;CCCCC1(F)CC1O;XSJYWJYZTILFFY-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164662;MM164662;NCCCC1(F)CC1O;MSWNEXDANKMSCG-UHFFFAOYSA-N;133.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164663;MM164663;OCCCC1(F)CC1O;DJWHTTGXCZKZBN-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164664;MM164664;OC1CC1(F)CCCF;ZHUKUWSXLZVFRN-UHFFFAOYSA-N;136.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164665;MM164665;NCCCC1(F)CC1F;OVLPRIDTPAFFKK-UHFFFAOYSA-N;135.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164666;MM164666;CNCCC1(C)CC1C;HUSHYLFOXXSQCM-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164667;MM164667;CNCCC1(C)CC1N;BIARQIXWUNOLCZ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164668;MM164668;CNCCC1(C)CC1O;GZHUYMWNWOQDLG-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164669;MM164669;CNCCC1(N)CC1C;ZDPCTCDOXFWENO-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164670;MM164670;CNCCC1(N)CC1N;JKCUOJTZVDJSHW-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164671;MM164671;CNCCC1(N)CC1O;UYZVIPOQBBUAOL-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164672;MM164672;CNCCC1(N)CC1F;BKZKFPJRKPUXRK-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164673;MM164673;CNCCC1(O)CC1C;SQKZTQOAVDKNMI-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164674;MM164674;CNCCC1(O)CC1N;ABTVMFZAGQPNSM-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164675;MM164675;CNCCC1(O)CC1O;NBZKZSXNXWOPON-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164676;MM164676;CNCCC1(F)CC1C;KXKPGJUBYTZJDN-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164677;MM164677;CNCCC1(F)CC1N;PIDAYJBWUQWUBH-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164678;MM164678;CNCCC1(F)CC1O;UNGBMEWCVJJJMR-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164679;MM164679;CNCCC1(F)CC1F;QGKWAXICOOVZTL-UHFFFAOYSA-N;135.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164680;MM164680;COCCC1(C)CC1C;KKARXHKMCOSBMT-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164681;MM164681;COCCC1(C)CC1N;LEIFFBQJAKKHMA-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164682;MM164682;COCCC1(C)CC1O;LBRLIOIMXLGZCQ-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164683;MM164683;COCCC1(C)CC1F;FIYIPQQXYZWTSN-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164684;MM164684;COCCC1(N)CC1C;WDUHVUOPLANELN-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164685;MM164685;COCCC1(N)CC1N;BNFFZXJYPQGYND-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164686;MM164686;COCCC1(N)CC1O;VMEGKUGMWBUHNJ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164687;MM164687;COCCC1(N)CC1F;BEQUBBHJJQQTED-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164688;MM164688;COCCC1(O)CC1C;ATOFTBPTRAESIP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164689;MM164689;COCCC1(O)CC1N;WRBQXLRSPIZVNW-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164690;MM164690;COCCC1(O)CC1O;OTWIQVZZRFEVDN-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164691;MM164691;COCCC1(O)CC1F;QPWYGGRKLMLXKL-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164692;MM164692;COCCC1(F)CC1C;LJXVECQWRZFQDP-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164693;MM164693;COCCC1(F)CC1N;HKMZAFRPUNFGTJ-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164694;MM164694;COCCC1(F)CC1F;NWWQJZFYLOGCJJ-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164695;MM164695;CCNCC1(C)CC1C;WLHGQCSSIGYXHP-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164696;MM164696;CCNCC1(C)CC1N;HPYCXDZSLQPNAD-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164697;MM164697;CCNCC1(C)CC1O;UBNXCMGBCKBKBP-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164698;MM164698;CCNCC1(C)CC1F;SIHJNZOQNLTLCD-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164699;MM164699;CCNCC1(N)CC1C;PZAQRPNEQVGEAW-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164700;MM164700;CCNCC1(N)CC1N;UCTJTLZTNSDOQU-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164701;MM164701;CCNCC1(N)CC1O;MSRPUWSSOUWOFK-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164702;MM164702;CCNCC1(O)CC1C;MAELZJMXNATXSU-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164703;MM164703;CCNCC1(O)CC1N;OAMDGAFDYWJIFE-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164704;MM164704;CCNCC1(O)CC1O;WJNKBNNGBMEAQR-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164705;MM164705;CCNCC1(F)CC1C;CZIZRFIQZFDATG-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164706;MM164706;CCNCC1(F)CC1N;OGPCHGMBTOMFAD-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164707;MM164707;CCNCC1(F)CC1O;CEVFAUVRAZFOCU-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164708;MM164708;CCOCC1(C)CC1C;RQDVWVAXNSUCSF-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164709;MM164709;CCOCC1(C)CC1N;DWIOSUNCNPTDGW-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164710;MM164710;CCOCC1(C)CC1O;ZILOZVFGQNMVSG-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164711;MM164711;CCOCC1(N)CC1C;JBLGQRCNZAZSLP-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164712;MM164712;CCOCC1(N)CC1N;YQXUZIVQUJRCBA-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164713;MM164713;CCOCC1(O)CC1C;GXAIRJHOGQVHIY-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164714;MM164714;CCOCC1(O)CC1N;HKYDUPWSCDLMNC-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164715;MM164715;CCOCC1(F)CC1C;SJIVKEALKUDCGF-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164716;MM164716;CCOCC1(F)CC1N;DQJTVUSCEOCTLL-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164717;MM164717;CCCNC1(C)CC1C;IHSIDDOMFHBJPO-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164718;MM164718;CC1CC1(C)NCCN;LYANNVDBCIXWLD-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164719;MM164719;CC1CC1(C)NCCO;NAKOVWORHGMMGO-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164720;MM164720;CC1CC1(C)NCCF;NALLSKRNJSOLQD-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164721;MM164721;CCCNC1(C)CC1N;IYNOKPQLYUFTFR-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164722;MM164722;CC1(NCCN)CC1N;ZPBRTIODHAKKOK-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164723;MM164723;CC1(NCCO)CC1N;PUJOWAWUKYJEPF-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164724;MM164724;CC1(NCCF)CC1N;SYGNHVYFGKAANN-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164725;MM164725;CCCNC1(C)CC1O;SGFOQRDROBJQMD-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164726;MM164726;CC1(NCCN)CC1O;JLVPDZMHJBMDAV-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164727;MM164727;CC1(NCCO)CC1O;LGDRFHKQMWAZDX-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164728;MM164728;CC1(NCCN)CC1F;XHDDFSMQKJEZPA-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164729;MM164729;CCCOC1(C)CC1C;LPARICQWPJXZQI-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164730;MM164730;CC1CC1(C)OCCN;HILQKDGICAPOIR-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164731;MM164731;CC1CC1(C)OCCO;JKYRNIGEHGTRRS-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164732;MM164732;CC1CC1(C)OCCF;KINCIIZQUAUUNF-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164733;MM164733;CCCOC1(C)CC1N;YNVHHHRVKHWOAJ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164734;MM164734;CC1(OCCN)CC1N;MJDGENZFFJTPDS-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164735;MM164735;CC1(OCCO)CC1N;ATYYNVXAXJBUMZ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164736;MM164736;CC1(OCCF)CC1N;HOYAJCWOPBCAGP-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164737;MM164737;CCCOC1(C)CC1O;ODJJJLSGHVODOL-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164738;MM164738;CC1(OCCN)CC1O;SANZMUGCYWVJIQ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164739;MM164739;CC1(OCCO)CC1O;UYODYPQENHDVFJ-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164740;MM164740;CCCOC1(C)CC1F;NLLRUWBYDDPAEJ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164741;MM164741;COCOC1(C)CC1C;NGZRYERXXVTXFO-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164742;MM164742;COCOC1(C)CC1N;CLLSJMFGJHTLTB-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164743;MM164743;CC1NC1(C)CCCN;NYIPPKQWYULFBO-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164744;MM164744;CNCCC1(C)NC1C;QRPDWOHTPRXBDR-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164745;MM164745;CCNCC1(C)NC1C;UOPJZYGJSAVCSP-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164746;MM164746;CCCCC1(C)OC1C;YBSNJNUKBDGFFG-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164747;MM164747;CC1OC1(C)CCCN;RUQPHCRUJGGLSE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164748;MM164748;CC1OC1(C)CCCO;SADDTXHSKPGLAE-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164749;MM164749;CNCCC1(C)OC1C;JGGBLSPXJIRTRN-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164750;MM164750;COCCC1(C)OC1C;JPENJEIJYZIFIS-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164751;MM164751;CCNCC1(C)OC1C;YRGFJSDHPXCOMS-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164752;MM164752;CCOCC1(C)OC1C;WSGDGJTVUFHQEG-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164753;MM164753;CN1CC1(C)CCCN;CYEOCLFEOUHRJD-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164754;MM164754;CNCCC1(C)CN1C;ZBKRDVZAUBVVHS-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164755;MM164755;CCNCC1(C)CN1C;XIGLSGSVMWHLIL-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164756;MM164756;CCOCC1(C)CN1C;UFHVAMSNIYMMHM-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164757;MM164757;C=CCCC1(C)CC1C;UVOJBBLMUWJYFU-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164758;MM164758;CC1CC1(C)CCC=O;YTKBWZJFUPQCNC-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164759;MM164759;CC1CC1(C)CCC#N;VOOCKJUJUBOIQN-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164760;MM164760;C=CCCC1(C)CC1N;FKGOKILBOLDYSU-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164761;MM164761;CC1(CO)CC1C(=O)NN;NOIOVFZVLDJGME-UHFFFAOYSA-N;144.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164762;MM164762;C#CC1(O)CNC(C#N)C1;APHGSWXQVNPBSY-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164763;MM164763;C=CCCC1(C)CC1F;AADMJTJXZAYVHA-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164764;MM164764;CC1(CCC#N)CC1F;UHFUBUZOTGKQCW-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164765;MM164765;C=CCCC1(N)CC1C;AREBAKPXDWDVKN-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164766;MM164766;C=CCCC1(N)CC1N;JJGPRKBAWUGSCP-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164767;MM164767;C=CCCC1(N)CC1O;BUSSVSRPHPKDSI-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164768;MM164768;C=CC(CC(=O)NN)=NN;XQXIQBJHZBDTKR-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164769;MM164769;CC1CC1(O)CCC=O;FRVCSIZMYRIBOH-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164770;MM164770;CC1CC1(O)CCC#N;ZMHFGYPVGCGKRQ-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164771;MM164771;C=CCCC1(O)CC1N;VKKZOVKLPISROV-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164772;MM164772;C=CCCC1(O)CC1O;OLUCZCQXGJUNGI-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164773;MM164773;O=CCCC1(O)CC1O;MWQDSEFSHWFHHS-UHFFFAOYSA-N;130.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164774;MM164774;N#CCCC1(O)CC1O;KXIXIDLANAYILN-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164775;MM164775;C=CCCC1(F)CC1C;WXYZRYIWQDRQCS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164776;MM164776;CC1CC1(F)CCC=O;JJJITFVIPRLUQG-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164777;MM164777;CC1CC1(F)CCC#N;XFUCFGVJYGTNBT-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164778;MM164778;C=CCCC1(F)CC1N;AREZVBGQXHZBMW-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164779;MM164779;C=CCCC1(F)CC1O;MDGIOTLMHBQUIZ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164780;MM164780;CC1CC1(C)CNC=N;ZDLCAKSZKIONFS-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164781;MM164781;COC(N)=C(C)C(=O)NN;LDQZGGVVGWTKBP-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164782;MM164782;CC1(CNC=N)CC1N;YGXNUSKROIWLNX-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164783;MM164783;CC1(CNC=O)CC1N;QUZWXLWKSMNEIJ-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164784;MM164784;CC1(CNC=N)CC1O;BLPQPLVEBJJFPX-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164785;MM164785;CC1(CNC=O)CC1O;KLASIYUBWBINQM-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164786;MM164786;CC1(CNC=N)CC1F;NRJADHJPXBCOFN-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164787;MM164787;CC1CC1(N)CNC=N;WFVUWWSDKWOLBN-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164788;MM164788;CC1CC1(N)CNC=O;UDYCDRYZAJAEBF-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164789;MM164789;N=CNCC1(N)CC1N;QQGDCFZPELTXOK-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164790;MM164790;NC1CC1(N)CNC=O;QRDMAJUNGPZGSU-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164791;MM164791;N=CNCC1(N)CC1O;UAOZGUDWPHKOHZ-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164792;MM164792;NC1(CNC=O)CC1O;ATOBYDFQLXKQHD-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164793;MM164793;N=CNCC1(N)CC1F;RAVPSUAVSKRGBB-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164794;MM164794;CC1CC1(O)CNC=N;JVPVOVHNXWRBKY-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164795;MM164795;CC1CC1(O)CNC=O;LFKWAIDZMKWZOD-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164796;MM164796;N=CNCC1(O)CC1N;JYSQVZBCZCJONR-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164797;MM164797;NC1CC1(O)CNC=O;XUHVXJXPDRJAQU-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164798;MM164798;N=CNCC1(O)CC1O;FFOHDWJMJPBNDJ-UHFFFAOYSA-N;130.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164799;MM164799;O=CNCC1(O)CC1O;MDGJLXURUFUPMS-UHFFFAOYSA-N;131.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164800;MM164800;N=CNCC1(O)CC1F;UNQMOZJPONZPMR-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164801;MM164801;O=CNCC1(O)CC1F;NDEJTALVYIDLCI-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164802;MM164802;CC1CC1(F)CNC=N;SHTLODFTUJRFIO-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164803;MM164803;CC1CC1(F)CNC=O;CMTBLFFEWJGPTM-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164804;MM164804;N=CNCC1(F)CC1N;FGBOXAOKWTYBJP-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164805;MM164805;N=CNCC1(F)CC1O;PWNOGNGEWSLJRN-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164806;MM164806;O=CNCC1(F)CC1O;WEFPSCXEBMPPEJ-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164807;MM164807;C=NNCC1(C)CC1C;ZQMHUGQORPJEKI-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164808;MM164808;C=NNCC1(C)CC1N;DPRMCNWVLVSFQO-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164809;MM164809;C=NNCC1(N)CC1C;FJTKANYOLCGAIQ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164810;MM164810;C=NNCC1(N)CC1N;WHDCVIMQZFTGRI-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164811;MM164811;C=NNCC1(N)CC1O;PLDFSDYTMJXBKF-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164812;MM164812;C#CCCCOC(=O)NN;GTHIWBNIXVVYAS-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164813;MM164813;C=NNCC1(O)CC1N;BIPUOHUPFIMEDS-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164814;MM164814;COC(=NC=N)NNC=O;FCZFDFUSVHXUNI-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164815;MM164815;C=NNCC1(F)CC1C;HQMKAEQUTSEOGD-UHFFFAOYSA-N;130.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164816;MM164816;CN(C)C(C#N)C(O)CF;CUHICVHTABFTTE-UHFFFAOYSA-N;146.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164817;MM164817;C=COCC1(C)CC1C;BALGUVLJSZLANE-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164818;MM164818;CC1CC1(C)COC=O;ZGLLFGOOVDPZMP-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164819;MM164819;C=COCC1(C)CC1N;NAFSWKIWUHPTGA-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164820;MM164820;CC1(COC=O)CC1N;VYQVBTISXIQWBL-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164821;MM164821;C=COCC1(C)CC1O;UZOMENGZCSGPJX-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164822;MM164822;CC1(COC=O)CC1O;LOQZYDAMFQCMQR-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164823;MM164823;C=COCC1(C)CC1F;XPVGSNWWUCHPLB-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164824;MM164824;C=COCC1(N)CC1C;UKADHNYHEPHUMN-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164825;MM164825;CC1CC1(N)COC=O;UOYFAEOTRKOMIP-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164826;MM164826;C=COCC1(N)CC1N;OTSUDJGXAONSCY-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164827;MM164827;NC1CC1(N)COC=O;ZTWUETHRVNHOAB-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164828;MM164828;C=COCC1(N)CC1O;FWXISBNULYYJNA-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164829;MM164829;NC1(COC=O)CC1O;VDOSNOLRBUNQLF-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164830;MM164830;C=COCC1(O)CC1C;KKLAAUMNJCBVFM-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164831;MM164831;CC1CC1(O)COC=O;CHGMTEXXQRDCFF-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164832;MM164832;C=COCC1(O)CC1N;FCEAMPZLXQHDAR-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164833;MM164833;NC1CC1(O)COC=O;LIJUWSDQYLANBQ-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164834;MM164834;C=COCC1(O)CC1O;IKZZQKLMSMTTKL-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164835;MM164835;O=COCC1(O)CC1O;NSLBTURTFHPXCK-UHFFFAOYSA-N;132.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164836;MM164836;C=COCC1(O)CC1F;BNNGQSJCMGNVAS-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164837;MM164837;C=COCC1(F)CC1C;ZHFLMVIFJCAEKR-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164838;MM164838;CC1CC1(F)COC=O;UGKANTAYPDQDEI-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164839;MM164839;C=COCC1(F)CC1N;DADRBXCGKZSLTD-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164840;MM164840;C=COCC1(F)CC1O;OLDPBJOZXIPTDW-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164841;MM164841;O=COCC1(F)CC1O;VMOUDWZFIUHHGD-UHFFFAOYSA-N;134.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164842;MM164842;C=NOCC1(C)CC1C;AHLFVQXSFLBWJV-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164843;MM164843;C=NOCC1(C)CC1N;CPUBUDGUBNUFJY-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164844;MM164844;C=NOCC1(N)CC1C;IZOMKAVNGXSEST-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164845;MM164845;C=NOCC1(N)CC1N;RIPROTIOKMHFKU-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164846;MM164846;C#CC1CC1CC(=O)NN;CSFDNIZISUKBJS-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164847;MM164847;C=NOCC1(O)CC1N;JVZUWEVAWMENED-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164848;MM164848;NN1CC(O)C1=O;JKWLSKQZJUMQIM-UHFFFAOYSA-N;102.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164849;MM164849;CC1(C)ON=CC1O;PCZHEGYEINGTJK-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164850;MM164850;C=NOCC1(F)CC1C;TUPWXIMTNWCRFW-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164851;MM164851;C=NOCC1(F)CC1N;MXJOJOROHUYSBR-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164852;MM164852;COC=CC(=O)NN;BSKUMBRHXVMOSP-UHFFFAOYSA-N;116.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164853;MM164853;C=CCNC1(C)CC1C;BSXBFVYJJCSNOE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164854;MM164854;CC1CC1(C)NCC=O;OLDKMLNYNRQTTL-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164855;MM164855;CC1CC1(C)NCC#N;OGBGAVXYPLVKBG-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164856;MM164856;C=CCNC1(C)CC1N;MEYKEHYRSUVOHU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164857;MM164857;C=CCNC1(C)CC1O;WMJKNLDKEKRIBB-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164858;MM164858;NNC(=O)NC1CC1;IIMMKVNMNLSGOZ-UHFFFAOYSA-N;115.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164859;MM164859;CC1(NCC#N)CC1F;PFOZJUMANDAUEU-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164860;MM164860;CC1CC1(C)NNC=N;HKAICPZOLQXDJB-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164861;MM164861;CNN1CC(O)C1=O;XIAJSRDBPGWJRY-UHFFFAOYSA-N;116.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164862;MM164862;CC1(NNC=N)CC1N;KXEUOEHSKBXGAT-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164863;MM164863;CC1(NNC=O)CC1N;LCBAHGZKVBASLZ-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164864;MM164864;CC1(NNC=N)CC1O;KEGIJOZCLLJUIF-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164865;MM164865;CC1(NNC=N)CC1F;MLNHZULNUFLSNK-UHFFFAOYSA-N;131.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164866;MM164866;CC1(NNC=O)CC1F;AEXUGKIFLSCYIH-UHFFFAOYSA-N;132.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164867;MM164867;C=CCOC1(C)CC1C;MLXCDLCTFBGPNF-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164868;MM164868;CC1CC1(C)OCC=O;FBCWOOGCCHZXRF-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164869;MM164869;CC1CC1(C)OCC#N;BOROMLUQHQOCNR-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164870;MM164870;C=CCOC1(C)CC1N;YKQSUSADEHEWQK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164871;MM164871;C=CCOC1(C)CC1O;UJAXLGQUCZJDLQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164872;MM164872;CC1(OCC=O)CC1O;MHVXTNGUPIYSLM-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164873;MM164873;CC1(OCC#N)CC1O;MEKRKHFCEKZMLJ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164874;MM164874;CC1CC1(C)ONC=N;RFSALISHLBERDG-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164875;MM164875;CC1CC1(C)ONC=O;HBYBVULDPLEUAV-UHFFFAOYSA-N;129.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164876;MM164876;CC1(ONC=N)CC1N;DXWYAVOPSBZJHR-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164877;MM164877;CC1(ONC=O)CC1N;IDQGBAAMNLRJIQ-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164878;MM164878;CC1NC1(C)CNC=N;SASYAWMNRCUHRQ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164879;MM164879;C=NOCC1(C)NC1C;MUJJPXBUJQYJHZ-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164880;MM164880;C=CCCC1(C)OC1C;HWFYYBDHSBDGJT-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164881;MM164881;CC1OC1(C)CCC=O;DJEPLWCTOQWNOL-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164882;MM164882;CC1OC1(C)CCC#N;CIZXQVVMJBAWRE-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164883;MM164883;CC1OC1(C)CNC=N;JRILRLOMGWRTMW-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164884;MM164884;NNC(=O)C=CCCF;NWRDTGSSOPCTOL-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164885;MM164885;C=NNCC1(C)OC1C;BQUXILQIHMLPSW-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164886;MM164886;C=COCC1(C)OC1C;DSTFYZPSYZBUHP-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164887;MM164887;CC1OC1(C)COC=O;GWPMDRCZQVLKEJ-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164888;MM164888;C=NOCC1(C)OC1C;OQBIGDWOQDIQRL-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164889;MM164889;CNC(C#N)C(O)CF;VMPCUFNBOUIMFG-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164890;MM164890;CN1CC1(C)CCC#N;OPJFBKQXAYWNFQ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164891;MM164891;CN1CC1(C)CNC=N;PPFHISCRUDIGGA-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164892;MM164892;C=NN1CC1C(O)C=O;SYCLRLRJXOWVCW-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164893;MM164893;C=NNCC1(C)CN1C;FDNHMBAKTWGBGI-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164894;MM164894;C=COCC1(C)CN1C;JEGAEOHNNHPVMG-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164895;MM164895;CN1CC1(C)COC=O;BYQUHVHHXOMTMO-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164896;MM164896;C=NOCC1(C)CN1C;OLXVGEPIPFFYQI-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164897;MM164897;C#CCCC1(C)CC1C;VTGPZUXORHJQKF-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164898;MM164898;C#CCCC1(C)CC1N;CYNQWVFDEOCTGK-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164899;MM164899;CC(=NN)C(O)C(C)(C)O;ZYRCGGCTWKGUOD-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164900;MM164900;C#CCCC1(C)CC1F;GDGBPWVRBZKFOP-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164901;MM164901;C#CCCC1(N)CC1C;YMQGCAXHJWSCMD-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164902;MM164902;C#CCCC1(N)CC1N;OBRMQFSLNNQFKA-UHFFFAOYSA-N;124.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164903;MM164903;C#CCCC1(N)CC1O;CJINJCVYRWKMAK-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164904;MM164904;C#CCCC1(N)CC1F;MRLLJLCJQGHQFB-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164905;MM164905;C=CC(C)(O)C(O)C=NN;YSRLYLSAMNMJJT-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164906;MM164906;C#CCCC1(O)CC1N;CSMCZSAAZQYRFG-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164907;MM164907;C#CCCC1(O)CC1O;ZSOJZIVVIZFHBZ-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164908;MM164908;C#CCCC1(F)CC1C;UMHWNABQQQUMRR-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164909;MM164909;C#CCCC1(F)CC1N;XMTAGQBPZMWCEO-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164910;MM164910;C#CCNC1(C)CC1C;OFVTVIJBCLOVPD-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164911;MM164911;C#CCNC1(C)CC1N;XKUKDUQIKKQUNQ-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164912;MM164912;C#CCOC1(C)CC1C;BCBVDCHYIGZGSQ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164913;MM164913;C#CCOC1(C)CC1N;YYSKNJOZGZVYHS-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164914;MM164914;C#CCOC1(C)CC1O;HLZSLZRDUUQCLV-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164915;MM164915;C#CCOC1(C)CC1F;XSZYHLRTRHKWGY-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164916;MM164916;C#CCCC1(C)OC1C;OACXJMYHJASVAX-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164917;MM164917;CC(C)C1(C)CC1CN;WHVXRMGLUCAEIX-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164918;MM164918;CCC1CC1(C)C(C)N;OEGRBCTZWKKQLH-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164919;MM164919;CC(N)C1(C)CC1CN;ZRPQODXJTILNAS-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164920;MM164920;CC(N)C1(C)CC1CO;OKWHJRYSHZMTPM-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164921;MM164921;CCC1CC1(C)C(C)F;CSWVLWQAPTWOIE-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164922;MM164922;CC(F)C1(C)CC1CN;OLCVQSOYZKQBDE-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164923;MM164923;CCC1CC1(N)C(C)C;QXIAWKGXKCTAES-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164924;MM164924;CC(C)C1(N)CC1CN;MHMXVWUUOSGNPF-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164925;MM164925;CC(C)C1(N)CC1CO;SSDZLQMJYJMSGH-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164926;MM164926;CCC1CC1(N)C(C)N;OVCYYMXVBXKRBK-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164927;MM164927;CC(N)C1(N)CC1CO;MCPNFPWTMJNCRL-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164928;MM164928;CCC1CC1(N)C(C)O;XOTGCSFOOPKQLY-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164929;MM164929;CC(C)C1(O)CC1CN;XSCPZJUBQSXAFP-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164930;MM164930;CNC1CC1(C)C(C)C;ZYXATIIUFOGXIY-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164931;MM164931;CNC1CC1(C)C(C)N;JKXJRKZQWITNNU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164932;MM164932;CNC1CC1(C)C(C)F;KAMJMSXPCJIWKA-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164933;MM164933;CCC1CC1(C)N(C)C;DCFMFLKNQTYQJX-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164934;MM164934;CN(C)C1(C)CC1CN;LQGIEJXZHQVBGX-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164935;MM164935;CN(C)C1(C)CC1CF;DOJORLYOAPMJIN-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164936;MM164936;CNC1CC1(C)N(C)C;ZGXYPMNZCYPUMC-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164937;MM164937;CC(C)C1(C)NC1CN;FBHJDIJMSDVEPU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164938;MM164938;CC(C)C1(C)NC1CF;LCDJTTRDSALEJR-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164939;MM164939;CCC1NC1(C)C(C)N;FXXKPIKUEVTYCO-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164940;MM164940;CCC1OC1(C)C(C)C;YEBPXHRRWKMUAN-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164941;MM164941;CCC1OC1(C)C(C)N;ROSKTISCBIKFLE-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164942;MM164942;CCC1OC1(C)C(C)O;GKWAXOQNCCENFQ-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164943;MM164943;CCN1CC1(C)C(C)N;KXLJRVPTWININT-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164944;MM164944;C=CC1CC1(C)C(C)C;NUQKTXGPVMOJAK-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164945;MM164945;CC(C)C1(C)CC1C=O;FUBSCFXDYSBYEA-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164946;MM164946;CC(C)C1(C)CC1C#N;FMTPWCNKAQYUFY-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164947;MM164947;C=CC1CC1(C)C(C)N;JKBVLMQEFVKMEH-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164948;MM164948;C=CC1CC1(N)C(C)C;ZTQXBEOSDXQINN-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164949;MM164949;CC1CC1(O)CC(=O)NN;WCRKLVGRTJQGCD-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164950;MM164950;CC(C)C1(O)CC1C#N;WLQADCDEXXNQPW-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164951;MM164951;CC(C)C1(C)NC1C#N;ZTAQNEWQRKMWHT-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164952;MM164952;C=CC1NC1(C)C(C)F;OBWXXVSXPJGLRD-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164953;MM164953;C=CC1OC1(C)C(C)C;SKMJXMBKOLKAHT-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164954;MM164954;CC(C)C1(C)OC1C#N;AMTUSEDDOKKNMD-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164955;MM164955;C=CC1OC1(C)C(C)N;MJCAUERTKWWPGK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164956;MM164956;CC(C)C1(C)CN1C=N;ISHMQGQJPHPJPC-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164957;MM164957;CC(C)C1(C)CN1C=O;NFFRAONWMVSWEY-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164958;MM164958;CC(N)C1(C)CN1C=N;NHFFEFSWPKBUAR-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164959;MM164959;CC(N)C1(C)CN1C=O;NEXJCYMMWIQBOG-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164960;MM164960;CC(O)C1(C)CN1C=O;PQIZEASQFHFXPF-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164961;MM164961;CC(F)C1(C)CN1C=N;WJLXQXXPXKVMLK-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164962;MM164962;C=NN1CC1(C)C(C)C;GYTACBROOVCTHJ-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164963;MM164963;C=NN1CC1(C)C(C)N;NHQYJUVIBIGZSW-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164964;MM164964;CC(C)C#CCC(=O)NN;HBSZAGVQBHUPNC-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164965;MM164965;C#CC1CC1(C)C(C)C;CVWMJYCEBNUCQU-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164966;MM164966;C#CC1CC1(C)C(C)N;JINKUZGWAKBNBE-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164967;MM164967;C#CC1CC1(N)C(C)C;SVKLNYCTKPAFRH-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164968;MM164968;C#CCC(=C)C(=O)NNC;MGACIMOFIVBTGA-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164969;MM164969;C#CC1CC1(O)C(C)F;IAVVOWWVKPFFTB-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164970;MM164970;C#CC1CC1(C)N(C)C;KSSQRFWILMMTDQ-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164971;MM164971;C#CC1NC1(C)C(C)C;CCFGPHHPAFNRCP-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164972;MM164972;C=C(C)C1(C)CC1CC;ZZNJMQFJXQPXLN-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164973;MM164973;C=C(C)C1(C)CC1CN;GVCHGJXPNSKRRF-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164974;MM164974;COC(C)COC(=O)NN;COGHCGZXQJHUOM-UHFFFAOYSA-N;148.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164975;MM164975;CCC1CC1(C)C(C)=O;UAHVFWMMSCUUCZ-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164976;MM164976;CC(=O)C1(C)CC1CO;CIYJZDWMJAZTPB-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164977;MM164977;CCC1CC1(C)C(=N)N;RSNKPXOJQPECTF-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164978;MM164978;CC1(C(=N)N)CC1CN;XZGHEXQNCBAZCF-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164979;MM164979;CC1(C(=N)N)CC1CO;UJLKVFKPQDIESY-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164980;MM164980;CC(=O)ON=C(NN)NO;FGGXFLLDHANHMS-UHFFFAOYSA-N;148.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164981;MM164981;CC1(C(N)=O)CC1CN;QTQRAMKVLQMAJX-UHFFFAOYSA-N;128.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164982;MM164982;CC1(C(N)=O)CC1CO;FYMHSGFJHWWWNK-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164983;MM164983;CCC1CC1(C)C(=O)O;VFNUAZMERKWUOT-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_Nda";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164984;MM164984;C=C(F)C1(C)CC1CC;OFIRUKHXANQOEY-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164985;MM164985;C=C(F)C1(C)CC1CO;JMQSWXPCAWWOCO-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164986;MM164986;C=C(C)C1(N)CC1CC;LYKYDZBIDOMYIS-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164987;MM164987;CCC1CC1(N)C(=N)N;ALTGHYWCPDFBRD-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164988;MM164988;C=C(OC)C(=C)C(=O)NN;RJJLCRFTNSJVTJ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164989;MM164989;C=C(C)C1(C)CC1NC;XJWYHAWGMSKDIQ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164990;MM164990;CNC1CC1(C)C(C)=O;SKXMOBCBWKWCKH-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164991;MM164991;CNC1CC1(C)C(=N)N;AAZHPAYFBOOLSJ-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164992;MM164992;CNC1CC1(C)C(N)=O;SVFOZNRQJVMQQE-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164993;MM164993;C=C(F)C1(C)CC1NC;DZGQCZDGLQPOFX-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164994;MM164994;C=C(C=O)CCNNC=O;FPEPGHUTAMYTOG-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164995;MM164995;CCC1NC1(C)C(=N)N;LCIXYOCLXYPLFB-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164996;MM164996;C=C(C)C1(C)OC1CC;KYNOCPNHHLUXEE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164997;MM164997;CCC1OC1(C)C(C)=O;LOIWVMGUZNEMED-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164998;MM164998;CCC1OC1(C)C(=N)N;DVZQETYYZUGBPR-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM164999;MM164999;CNNC(=NOC=O)NO;MHDAZTGORBCABY-UHFFFAOYSA-N;148.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165000;MM165000;CCN1CC1(C)C(=N)N;FQRBVTXVHJLMMX-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165001;MM165001;C=CC1CC1(C)C(=C)C;DPVZIXZKOQMOSP-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165002;MM165002;C=C(C)C1(C)CC1C=O;VJTNXGRMPFWROM-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165003;MM165003;C=C(C)C1(C)CC1C#N;HQOXWXRCNKHDTE-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165004;MM165004;C=CC1CC1(C)C(C)=O;CATJYUJSIIRHBP-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165005;MM165005;CC(=O)C1(C)CC1C=O;JTGWKOMOIFXJOY-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165006;MM165006;CC(=O)C1(C)CC1C#N;PNLVTYPBNPSHSV-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165007;MM165007;C=CC1CC1(C)C(=N)N;YTEODMGUZZFQJD-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165008;MM165008;CC1(C(=N)N)CC1C=O;BQZXQKQZHOGVSA-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165009;MM165009;CC1(C(=N)N)CC1C#N;CYRDXUFZINITHW-UHFFFAOYSA-N;123.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165010;MM165010;C=NNC(=NN=CC)NC;FBQCYMVYBOXKLX-UHFFFAOYSA-N;141.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165011;MM165011;CC1(C(N)=O)CC1C#N;SCQJHLAEQCIUCM-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165012;MM165012;O=c1occ(C(O)=CO)o1;VPJVAPMMAPWRIZ-UHFFFAOYSA-N;144.08;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165013;MM165013;CC1(C(=O)O)CC1C#N;JKQUXKHPLGUNKX-UHFFFAOYSA-N;125.13;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SN0_Nda";;;;;;;1.17;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165014;MM165014;N=c1oc(=NN)n(O)n1O;RDWXSAVERAXLAE-UHFFFAOYSA-N;147.09;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165015;MM165015;C=C(C)C1(O)CC1C#N;UWCHMFVIPAXDKW-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165016;MM165016;C=CC1NC1(C)C(=C)C;PQWVQYBJZRFMIX-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165017;MM165017;C=C(C)C1(C)NC1C#N;GFSFQXZTZZPCCQ-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165018;MM165018;C=Cc1ccc(NC)n1O;GPUWEXAJILIPHC-UHFFFAOYSA-N;138.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165019;MM165019;O=CC1C=CN(C=O)C=N1;ZDRPDSXRRPUUNV-UHFFFAOYSA-N;138.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165020;MM165020;CNC1=NN=C(NN)ON1;VQLBTNBQNPOULX-UHFFFAOYSA-N;144.14;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165021;MM165021;CCNNC(=O)OC;MHUGJXXVTRASQC-UHFFFAOYSA-N;118.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165022;MM165022;C=CC1OC1(C)C(C)=O;IHBDSLKXLGWDNE-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165023;MM165023;C=C(C)C1(C)CN1C=N;PWWGFYMPSUQOJY-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165024;MM165024;C=C(C)C1(C)CN1C=O;PCFKMRGVMFEPCD-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165025;MM165025;CC(=O)C1(C)CN1C=N;LTXMBDRVQVVQIK-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165026;MM165026;CC1=NOC(C)C1O;LDWAFOARWKSVTC-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165027;MM165027;CC1(C(=N)N)CN1C=N;HSECGUVDJDSRHM-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165028;MM165028;CC1(C(=N)N)CN1C=O;CHMADJPSSPGDLR-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165029;MM165029;CC1(C(N)=O)CN1C=O;GQUJSKWPYDVCJR-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165030;MM165030;O=c1ncc(O)cn1O;NJQQRDATICBJCY-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165031;MM165031;C=C(F)C1(C)CN1C=N;BWYGCFRGACXGPF-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165032;MM165032;C=C(F)C1(C)CN1C=O;SYHZHTGRQVSZMW-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165033;MM165033;C=NN1CC1(C)C(=C)C;SRARCYHNUWQIGZ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165034;MM165034;N=c1oc(=N)n(O)n1O;FKTFWKLUQHPSEG-UHFFFAOYSA-N;132.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165035;MM165035;C=NN1CC1(C)C(=N)N;RDKONODGDGUOAN-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165036;MM165036;C#CC1(O)CC2CN2C1;BRQMSZLCXMPBFZ-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165037;MM165037;CN=c1[nH]c(=O)nc(C)o1;LLBIBPBRLJDSBT-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165038;MM165038;C=NN1CC1(C)C(=C)F;INTUQBOCPHRGLL-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165039;MM165039;C#CC1CC1(C)C(=C)C;ROGGQKFLJIIOPA-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165040;MM165040;C#CC1CC1(C)C(C)=O;HESPPQPBJPAVJS-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165041;MM165041;C#CC1CC1(C)C(=N)N;LIACYYQLMWNABA-UHFFFAOYSA-N;122.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165042;MM165042;C#CC1CC1(C)C(N)=O;BQJZDZPDMOXDDN-UHFFFAOYSA-N;123.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165043;MM165043;C#CC1CC1(C)C(=O)O;RZTWHIMLBQVUSZ-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165044;MM165044;C#CC1CC1(N)C(=C)C;NBKQTRUBQIWKOU-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165045;MM165045;CC1(C)OC1CC(=O)NN;FOLJMNVCAZMLKI-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165046;MM165046;C#CC1OC1(C)C(C)=O;VNCXKPMGYKHUCV-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165047;MM165047;CN(C)C1(C)CCOC1;INFHLRKONLOVIG-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165048;MM165048;C=C(C)C1(F)CCCC1;JBIKFYAZBHLASL-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165049;MM165049;C=C(C)C1(C)CCOC1;ZSNNNHMASAUIRX-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165050;MM165050;C=C(C)C1(N)CCOC1;OLYWSHRQRWBTBL-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165051;MM165051;CC1OC1(C)CC(=O)NN;GYGRMRCDSSKBPY-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165052;MM165052;C=C(C)C1(F)CC=CC1;VPVLNKGSMXHUNN-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165053;MM165053;CC(C)C1(C)C(C)C1C;AMNQBHJQBJFVIK-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165054;MM165054;CCNc1cn(O)c(C)n1;UJHNQVPPERMESX-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165055;MM165055;CC(C)C1(C)C(C)C1N;KENIHBCIVXRWPQ-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165056;MM165056;CC(O)C1(C)C(C)C1N;DDOYDBSSAPUIQZ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165057;MM165057;C=C(CF)CCC(=O)NN;BVTYUUOSATUNGZ-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165058;MM165058;CC(C)C1(C)C(C)C1F;MJZGASNNOGOUPB-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165059;MM165059;C=C(C)C1(C)C(C)C1C;MGJSGEWPYXTCHO-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165060;MM165060;C=C(C)C1(C)C(C)C1F;COHRPUDFXJRHRU-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165061;MM165061;C=C(C)C1(C)C(N)C1N;SUCXFPCLDDRQSB-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165062;MM165062;CN(C)n1ncn(O)c1=O;KANXREXRAYPCDZ-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165063;MM165063;O=c1[nH]nc(CO)n1O;QNYUKHHMJUAGCD-UHFFFAOYSA-N;131.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165064;MM165064;O=c1ccoc2nn[nH]c12;IAIJAZBLLLFQNM-UHFFFAOYSA-N;137.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165065;MM165065;Cn1[nH]c(O)cc1=O;AZBCMPWBKRRTDT-UHFFFAOYSA-N;114.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165066;MM165066;Oc1cocc1F;ZEOHVGLTDSCCJZ-UHFFFAOYSA-N;102.06;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165067;MM165067;N=c1nnnnc(=N)[nH]1;JHPWAOFLXVMQKR-UHFFFAOYSA-N;125.1;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165068;MM165068;NN=c1ncc(=O)n(O)o1;SHBHJVDJMVKSCK-UHFFFAOYSA-N;144.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165069;MM165069;Cc1nc(O)cc(=O)n1O;VBNDWISLZDYGDY-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165070;MM165070;CC(C)CC1C(C)C1C;PRZCAIXZGSHMFM-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165071;MM165071;CC(N)CC1C(C)C1C;YAVOUBVWHWYTLU-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165072;MM165072;C#CC1(O)CC1N(N)C=O;JFDOZZGEBYLXOF-UHFFFAOYSA-N;140.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165073;MM165073;CC(F)CC1C(C)C1C;UQGRELQKORVSJH-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165074;MM165074;CC1C(C)C1CC(F)F;XVOBACLEFDQJHY-UHFFFAOYSA-N;134.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165075;MM165075;CC(C)CC1C(C)C1N;QZJKYJDRYYNELR-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165076;MM165076;CC(N)CC1C(C)C1N;RZEUARZGBDEMNW-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165077;MM165077;CC(O)CC1C(C)C1N;YIQSUXIWJKNOJE-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165078;MM165078;CC(F)CC1C(C)C1N;JZKFSAXJDINKIF-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165079;MM165079;CC1C(N)C1CC(F)F;HWMBSVIPETXPSF-UHFFFAOYSA-N;135.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165080;MM165080;C#CC1(O)CC1N(C)N=C;FMRQSOUCGBHNJG-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165081;MM165081;CC(N)CC1C(C)C1O;YZSJCRUYEOZEEE-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165082;MM165082;CC(O)CC1C(C)C1O;APHPFBXDRQQBGZ-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165083;MM165083;CC(F)CC1C(C)C1O;AMIMNXUNVIZGKY-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165084;MM165084;CC(C)CC1C(C)C1F;TUBZNHISDKHTHL-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165085;MM165085;CC(O)CC1C(C)C1F;KAHNTVSXQHASKQ-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165086;MM165086;CC(C)CC1C(N)C1N;ZEIVTRLGZDCXOW-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165087;MM165087;CC(N)CC1C(N)C1N;OYERMJSZZKZSNN-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165088;MM165088;CC(F)CC1C(N)C1N;NNEMPTBFKYDLQA-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165089;MM165089;NC1C(N)C1CC(F)F;YJRRKEPBMAENEJ-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165090;MM165090;CC(C)CC1C(N)C1O;ZMQJFEMNCAYADF-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165091;MM165091;CC(N)CC1C(N)C1O;VONLAANJGUEQFG-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165092;MM165092;CC(N)CC1C(N)C1F;PSHJWWPGKRZHBV-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165093;MM165093;CC(N)CC1C(O)C1O;RYMMTZZBRHETHQ-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165094;MM165094;OC1C(O)C1CC(F)F;MJIWFXPGNKCNOS-UHFFFAOYSA-N;138.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165095;MM165095;CC(N)CC1C(O)C1F;FHILMIKIHPZICB-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165096;MM165096;CC(O)CC1C(O)C1F;JXELINSYQRXTKP-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165097;MM165097;CC(C)NC1C(C)C1C;PUULTIZWHHNOAF-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165098;MM165098;CC(C)NC1C(C)C1N;YWGNINHKNOFTCB-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165099;MM165099;CC(C)NC1C(C)C1O;RSBUILOBSWKNNE-UHFFFAOYSA-N;129.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165100;MM165100;CC(C)NC1C(C)C1F;DDOASYQIZQPFAG-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165101;MM165101;CC(C)NC1C(N)C1O;CDUXWWRAHDKEAP-UHFFFAOYSA-N;130.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165102;MM165102;CC(C)OC1C(C)C1C;SABSREIDBDGUBM-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165103;MM165103;CC(C)OC1C(C)C1N;TVZXYMMXOHVNDW-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165104;MM165104;CC(C)OC1C(N)C1N;ZONKOFIOLZCMCV-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165105;MM165105;CC1C(C)C1CN(C)C;HSWNUXPKNCQHFN-UHFFFAOYSA-N;127.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165106;MM165106;CC1C(N)C1CN(C)C;BOJOZSMYGABWIF-UHFFFAOYSA-N;128.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165107;MM165107;CC1C(O)C1CN(C)C;XPZOPBHRFMFKMA-UHFFFAOYSA-N;129.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165108;MM165108;CC1C(F)C1CN(C)C;RYDRLVWSSDJRQS-UHFFFAOYSA-N;131.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165109;MM165109;CN(C)CC1C(N)C1N;QTHVUOGUUADRCK-UHFFFAOYSA-N;129.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165110;MM165110;CN(C)CC1C(N)C1F;GYHNQDHJBOGMSH-UHFFFAOYSA-N;132.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165111;MM165111;CN(C)CC1C(O)C1O;JSYZVJGSXCCQNH-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165112;MM165112;CN(C)CC1C(O)C1F;KZDXJFSSZYJFRF-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165113;MM165113;CC(N)CC1C(C)N1C;KHCYXHWMTCXXLA-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165114;MM165114;CC1C(CN(C)C)N1C;BGYNJISGMKFDNU-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165115;MM165115;CC(N)CN1C(C)C1C;ZJXXJEWVUPSXMI-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165116;MM165116;CC(F)CN1C(C)C1C;RSNCEKJPDOKLRT-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165117;MM165117;C=C(C)CC1C(C)C1C;SNTWGBJVGXAWNI-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165118;MM165118;CC(=O)CC1C(C)C1C;PGESKTJFZYLRRN-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165119;MM165119;CC1C(C)C1CC(=N)N;BFACVMBZXNSGDW-UHFFFAOYSA-N;126.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165120;MM165120;C=CC(CF)CC(=O)NN;ITRGWFJAGLXZPP-UHFFFAOYSA-N;146.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165121;MM165121;CC1C(C)C1CC(=O)O;YQBILDHHPMKTOB-UHFFFAOYSA-N;128.17;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165122;MM165122;C=C(F)CC1C(C)C1C;YEQGTAYHAFBEPC-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165123;MM165123;C=C(C)CC1C(C)C1N;CSGKVHSUUNXULZ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165124;MM165124;CC1C(N)C1CC(=N)N;ZMVRVCKUJIDOMT-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165125;MM165125;CC1C(N)C1CC(N)=O;PHGZABMTINGWSQ-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165126;MM165126;C=C(F)CC1C(C)C1N;DLHANUMAYBHUJK-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165127;MM165127;C=CC(=CC(=O)NN)CF;VPSAGQZSCULFEU-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165128;MM165128;CC1C(O)C1CC(=N)N;WONBFKPFLKYGRT-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165129;MM165129;CC1C(O)C1CC(N)=O;FFSVAWWHKGHBJB-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165130;MM165130;On1ncnc2ncnc1-2;IVKLUBNSRMMQLN-UHFFFAOYSA-N;137.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165131;MM165131;C=C(F)CC1C(C)C1O;IUVODBYOCZBJFB-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165132;MM165132;C=C(C)CC1C(C)C1F;CHBQGUDNCJWZKZ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165133;MM165133;CC(=O)CC1C(C)C1F;MSVNORFALXIKRP-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165134;MM165134;CC1C(F)C1CC(=N)N;RBHXCKZOYHCHQV-UHFFFAOYSA-N;130.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165135;MM165135;CC1C(F)C1CC(N)=O;PPUAAPHLFKTPQY-UHFFFAOYSA-N;131.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165136;MM165136;CC1C(F)C1CC(=O)O;OONGOFIRFZLCIA-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165137;MM165137;C=C(C)CC1C(N)C1N;LSPIZGZRUNHNQL-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165138;MM165138;N=C(N)CC1C(N)C1N;QQQPDPFQNBYMDT-UHFFFAOYSA-N;128.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165139;MM165139;NC(=O)CC1C(N)C1N;PGLCNGVLBHYKAY-UHFFFAOYSA-N;129.16;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165140;MM165140;C=C(F)CC1C(N)C1N;ZUKYIQCZFORNOE-UHFFFAOYSA-N;130.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165141;MM165141;C=C(C)CC1C(N)C1O;GYKKHTKRALDIKN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165142;MM165142;N=C(N)CC1C(N)C1O;OULBLJWIBSCPJE-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165143;MM165143;NC(=O)CC1C(N)C1O;NNXFCBKGPSFOBQ-UHFFFAOYSA-N;130.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165144;MM165144;C=C(F)CC1C(N)C1O;FMRHOHJWJLNAEZ-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165145;MM165145;C=C(C)CC1C(N)C1F;MDNINBWIPWZBPZ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165146;MM165146;N=C(N)CC1C(N)C1F;HVWBGRVRXYKCKN-UHFFFAOYSA-N;131.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165147;MM165147;C=C(F)CC1C(N)C1F;BIGRHMHGBLXBOZ-UHFFFAOYSA-N;133.14;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165148;MM165148;NC(=O)CC1C(O)C1O;OYTHYOBSSUDUSI-UHFFFAOYSA-N;131.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165149;MM165149;COCCC(C#N)=NO;ILNVTTIULGDGFQ-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165150;MM165150;C=C(F)CC1C(O)C1O;WMDNWFIQOSYFMG-UHFFFAOYSA-N;132.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165151;MM165151;COC(=NO)C(O)C=O;IRLMGQOTGROFNM-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165152;MM165152;C=C(F)CC1C(O)C1F;CNUUGWJFJSXULX-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165153;MM165153;C=C(C)CC1C(F)C1F;UKPFNIVRWFECRH-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165154;MM165154;CC(=N)NC1C(C)C1C;TYYGVLASHKOVJS-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165155;MM165155;COC1(CC(=O)NN)CC1;WCHDCMMCWYFNDJ-UHFFFAOYSA-N;144.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165156;MM165156;CC1C(C)C1NC(=N)N;SEOTXEDBHXSMAX-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165157;MM165157;CC1C(C)C1NC(N)=O;NHXSKJZTSLZPHO-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165158;MM165158;CC(=N)NC1C(C)C1N;GPCPWQGFESJINL-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165159;MM165159;CC(=O)NC1C(C)C1N;DNNHZGIPLLSBQJ-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165160;MM165160;CC1C(N)C1NC(N)=O;WHDJLEMBWFHBCU-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165161;MM165161;CC(=N)NC1C(C)C1O;UZFLJPQOTZWLJK-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165162;MM165162;CC(=O)NC1C(C)C1O;YYQCXFGEKSSTEE-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165163;MM165163;CC1C(O)C1NC(=N)N;IXNCUSKMRRUTIN-UHFFFAOYSA-N;129.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165164;MM165164;CC1C(O)C1NC(N)=O;RPGGZMTWYJRYGO-UHFFFAOYSA-N;130.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165165;MM165165;CC(=N)NC1C(C)C1F;LXXNQWURCZDXON-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165166;MM165166;CC(=O)NC1C(C)C1F;MOLJRFDNDAOZSJ-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165167;MM165167;CC1C(F)C1NC(=N)N;FABYBBRSNCQEQI-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165168;MM165168;CC1C(F)C1NC(N)=O;YPNLCURKLDOFQV-UHFFFAOYSA-N;132.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165169;MM165169;CC(=O)NC1C(N)C1N;PGZZKLGIINABFT-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165170;MM165170;N=C(N)NC1C(N)C1N;RTMWRUSCXSPCDH-UHFFFAOYSA-N;129.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165171;MM165171;NC(=O)NC1C(N)C1N;FFHXVWJUSIUCER-UHFFFAOYSA-N;130.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P5";;;;;;;-3.08;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165172;MM165172;N=C(N)NC1C(N)C1O;LRBDNXOQXLSJSA-UHFFFAOYSA-N;130.15;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165173;MM165173;CC(=N)NC1C(O)C1O;LHBNUMBOMLUNLX-UHFFFAOYSA-N;130.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165174;MM165174;N=C(N)NC1C(O)C1O;SYFBUHVPTRGXJD-UHFFFAOYSA-N;131.14;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165175;MM165175;CC(=N)NC1C(O)C1F;XPBWIGQONKNAGG-UHFFFAOYSA-N;132.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165176;MM165176;NC(=O)NC1C(O)C1F;PGZIAMCXPGCWEW-UHFFFAOYSA-N;134.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165177;MM165177;CC(=O)NC1C(F)C1F;JKMPYIIOYKVHDE-UHFFFAOYSA-N;135.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165178;MM165178;C=C(C)OC1C(C)C1C;SYJHTJQWTFYTGM-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165179;MM165179;CC(=O)OC1C(C)C1C;KMGYCLJCBFYFNQ-UHFFFAOYSA-N;128.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165180;MM165180;CC1C(C)C1OC(=N)N;RJCUZFMTOYBROJ-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165181;MM165181;CC1C(C)C1OC(N)=O;WSUNZKLYEQMCTR-UHFFFAOYSA-N;129.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165182;MM165182;C=C(C)OC1C(C)C1N;DISIEKJDTLFQTH-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165183;MM165183;CC(=O)OC1C(C)C1N;SLGJJMOUNPPBLZ-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165184;MM165184;CC1C(N)C1OC(=N)N;FKBJLOUGHHHGTE-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165185;MM165185;CC1C(N)C1OC(N)=O;UVFOEUJYWPKHBF-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165186;MM165186;C=C(C)OC1C(C)C1O;ZXARDEVXZOETEB-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165187;MM165187;CC(=O)OC1C(C)C1O;XZBXOKPWPQAFQF-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165188;MM165188;CC1C(O)C1OC(=N)N;UYOPWRUJHVREJR-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165189;MM165189;CC1C(O)C1OC(N)=O;SWLQMNASWOTSMB-UHFFFAOYSA-N;131.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165190;MM165190;C=C(C)OC1C(C)C1F;JSTMWPSOWDKTND-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165191;MM165191;CC(=O)OC1C(C)C1F;NONCQWPGFUNVHR-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165192;MM165192;CC1C(F)C1OC(=N)N;ARLKWTSJJZJMLC-UHFFFAOYSA-N;132.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165193;MM165193;CC1C(F)C1OC(N)=O;VHHBFBDBNFQNPI-UHFFFAOYSA-N;133.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165194;MM165194;C=C(C)OC1C(N)C1N;CEVVNNFDQCHXAD-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165195;MM165195;N=C(N)OC1C(N)C1N;JKLMSQSKBXNIAM-UHFFFAOYSA-N;130.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165196;MM165196;NC(=O)OC1C(N)C1N;PITGFUGAUVBDFL-UHFFFAOYSA-N;131.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165197;MM165197;C=C(C)OC1C(N)C1O;WBFYBYLDRVAIDH-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165198;MM165198;N=C(N)OC1C(N)C1O;OGPRXNWHLZAYTQ-UHFFFAOYSA-N;131.14;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165199;MM165199;N=C(N)OC1C(N)C1F;HXNBOPVAJPRRHS-UHFFFAOYSA-N;133.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165200;MM165200;NC(=O)OC1C(O)C1O;OWSXKJKSTRCYDJ-UHFFFAOYSA-N;133.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165201;MM165201;CC(=O)OC1C(O)C1F;XFWZEQUBJIMUSS-UHFFFAOYSA-N;134.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165202;MM165202;NC(=O)OC1C(O)C1F;DLAWSTJADOQLGK-UHFFFAOYSA-N;135.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165203;MM165203;CCC1(CC(=O)NN)CO1;PNHZMGTYALNNFP-UHFFFAOYSA-N;144.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165204;MM165204;CC1C(CC(=N)N)N1C;QGDTTWKHPQLPBL-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165205;MM165205;C=C(F)CC1C(C)N1C;RUPSTJXSHHMBPC-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165206;MM165206;C=CC1(NNC(C)=O)CC1;FKALEMQVERULRV-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165207;MM165207;CC1C(C)N1CC(=N)N;LURCEUWYVBLQNY-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165208;MM165208;CCC(F)C(C)NNC=O;IYFGYJKNVGXCHE-UHFFFAOYSA-N;148.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165209;MM165209;CNn1ncn(O)c1=O;YMCOTLFPUCBKIV-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165210;MM165210;C=C(F)CN1C(C)C1C;UWTMGAORIZREQK-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165211;MM165211;CC(=N)NN1C(C)C1C;ZUMGKHVQOVAQKU-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165212;MM165212;CC(=O)NN1C(C)C1C;ZOKKZWOTBRYITP-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165213;MM165213;CC(C)=CC1C(C)C1C;DLWKHJPZHORBAS-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165214;MM165214;CC(F)=CC1C(C)C1C;SFNFJZWNLCWQJT-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165215;MM165215;CC1C(C)C1C=C(F)F;VLFGCVLIYHQWHP-UHFFFAOYSA-N;132.15;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165216;MM165216;CC(C)=CC1C(C)C1N;ZWAZTSGRLIRYNJ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165217;MM165217;CC(F)=CC1C(C)C1N;QAYUVTQEMWEAAD-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165218;MM165218;CON=CC(O)C(O)CO;BSMBTQSEWUAPEC-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165219;MM165219;CC(F)=CC1C(C)C1O;YVZUIZPJLMQEMB-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165220;MM165220;CC1C(O)C1C=C(F)F;BOQYOLPAQRRZEY-UHFFFAOYSA-N;134.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165221;MM165221;CC(F)=CC1C(C)C1F;UZBOEYVNYNWXPO-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165222;MM165222;CC1C(F)C1C=C(F)F;NFVWVDYJHWDGQJ-UHFFFAOYSA-N;136.12;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165223;MM165223;CC(C)=CC1C(N)C1N;DOMAHEVFGUITMQ-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165224;MM165224;CC(F)=CC1C(N)C1N;MNOKMAVQQXOSFI-UHFFFAOYSA-N;130.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165225;MM165225;NC1C(N)C1C=C(F)F;FJVOYFMIDQZICP-UHFFFAOYSA-N;134.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165226;MM165226;NC1C(O)C1C=C(F)F;QKAHHJQKNKWNAN-UHFFFAOYSA-N;135.11;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165227;MM165227;NC1C(F)C1C=C(F)F;OMKAWHLBSATSFH-UHFFFAOYSA-N;137.1;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165228;MM165228;OC1C(F)C1C=C(F)F;QASKBMKUDYUUPO-UHFFFAOYSA-N;138.09;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165229;MM165229;CC(C)=CC1C(F)C1F;UCTWJFNPRSOLKZ-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165230;MM165230;FC(F)=CC1C(F)C1F;CHQVXFKECNHYAJ-UHFFFAOYSA-N;140.08;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165231;MM165231;CC(C)=CC1C(C)N1C;INYQBKYAGBMMFY-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165232;MM165232;CC(F)=CC1C(C)N1C;JFTFRSZSTSKGLM-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165233;MM165233;CC1C(C=C(F)F)N1C;OOSZNEYPKHIWOS-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165234;MM165234;CC(C)=NN1C(C)C1C;RWXINQSVGBMRMD-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165235;MM165235;C=C1COC2CC1(C)C2;RZVFKQOOUFYGHV-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165236;MM165236;C=C1CCN2CC1(C)C2;GBDCSQBBEZQAGL-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165237;MM165237;CC1CC2C(C)C2(C)C1;QHSOTKNGHWYMFQ-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165238;MM165238;NNC(=O)CCC=CCF;XZGGKMXJDWQICR-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165239;MM165239;CC1C2CC(F)CC12C;HQALZBHHSCTRFP-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165240;MM165240;CC12CC(N)CC1C2F;DCQUKJQGLWZCNQ-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165241;MM165241;CC12CC(F)CC1C2F;LNYOFMFHEDLAJH-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165242;MM165242;CCCC#CCC(=O)NN;QFYVZZSTYZYYTG-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165243;MM165243;CC1C2CC(N)CC12O;BDQYPCYWAUEPLP-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165244;MM165244;CC1C2CC(O)CC12O;XBHLWDWSUJVPDH-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165245;MM165245;CC1CC2C(C)C2(F)C1;ORGIYKQFBSAVEN-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165246;MM165246;CC1C2CC(F)CC12F;KXPIJDFPQSCXBI-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165247;MM165247;NC1C2CC(F)CC12F;RHEKWJXKPZYRNI-UHFFFAOYSA-N;133.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165248;MM165248;CC1CC2C(O)C2(F)C1;YSAASIIIDGHVEC-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165249;MM165249;OC1C2CC(F)CC12F;SWMXMMTYTQNIBA-UHFFFAOYSA-N;134.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165250;MM165250;CC1CC2(N)C(N)C2N1;GTLPSVKMCKJCBM-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165251;MM165251;CC1CC2(O)C(C)C2N1;IHVWEOXZZBHGJK-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165252;MM165252;CC1CC2(F)C(C)C2N1;XGBDNCZXPGFSCK-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165253;MM165253;CC1C2CN(C)CC12C;IBUVJICNTSTTMS-UHFFFAOYSA-N;125.22;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165254;MM165254;CC1C2CN(C)CC12N;CNHGHEWSQCLECE-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165255;MM165255;CC1C2CN(C)CC12O;FNPAVRLKGFYBOU-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165256;MM165256;CC1CC2N(C)C2(C)C1;GZLPHXWEMOHZSK-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165257;MM165257;CN1C2CC(N)CC21C;GQIXEYXPISUJEK-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165258;MM165258;CN1CC2N(C)C2(C)C1;MZVYCHPYVDISRL-UHFFFAOYSA-N;126.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165259;MM165259;CC1C2CC(=O)CC12C;QUSYDWOWLAQMJY-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165260;MM165260;C=C1CC2C(C)C2(F)C1;LNWQIMIPJYRZGM-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165261;MM165261;C=C1CC2C(O)C2(F)C1;WPQMRSAVFWQDJC-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165262;MM165262;O=C1CC2C(O)C2(F)C1;ZCYWYOGEABRUMH-UHFFFAOYSA-N;130.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165263;MM165263;CC1C2NC(=N)CC12C;BDGFXLVPCCMSHN-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165264;MM165264;CC1C2NC(=O)CC12C;IYRMIRGSZJTGMZ-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165265;MM165265;CC12CC(=N)NC1C2N;OVBBFPKFZGUZPD-UHFFFAOYSA-N;125.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165266;MM165266;CC12CC(=O)NC1C2N;YOCCZGZYRZTBHT-UHFFFAOYSA-N;126.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165267;MM165267;CC12CC(=N)NC1C2O;STITZJHIZCDQER-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165268;MM165268;CC12CC(=O)NC1C2O;UDKSSLATTKRGOP-UHFFFAOYSA-N;127.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165269;MM165269;CC12CC(=O)NC1C2F;YULTULFCSCXZOS-UHFFFAOYSA-N;129.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165270;MM165270;CC1C2NC(=N)CC12N;XNCZYGHNGSPDLC-UHFFFAOYSA-N;125.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165271;MM165271;CC1C2NC(=O)CC12N;OOIACUUAOCXQGA-UHFFFAOYSA-N;126.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165272;MM165272;N=C1CC2(N)C(O)C2N1;ZKJKODZSBVXSQR-UHFFFAOYSA-N;127.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165273;MM165273;CC1C2NC(=N)CC12O;ZCKJMHIAACJVTR-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165274;MM165274;CC1C2NC(=O)CC12O;WZHDDHPHSCEREC-UHFFFAOYSA-N;127.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165275;MM165275;N=C1CC2(O)C(N)C2N1;REHZHVCZURDEML-UHFFFAOYSA-N;127.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165276;MM165276;CC1C2NC(=O)CC12F;OONLQHPIACSJGN-UHFFFAOYSA-N;129.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165277;MM165277;N=C1CC2(F)C(O)C2N1;FOLFNJBCJJJLKQ-UHFFFAOYSA-N;130.12;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165278;MM165278;C=C1CC2(C)C(C)C2O1;SDGOMRVLOASMLR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165279;MM165279;CC1C2OC(=O)CC12C;SPEQLNLKCLLHFZ-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165280;MM165280;CC12CC(=O)OC1C2N;QGGKBQWPCUFTRK-UHFFFAOYSA-N;127.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165281;MM165281;C=C1CC2(C)C(O)C2O1;BMBCYQJRVZTDFS-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165282;MM165282;CC12CC(=O)OC1C2O;MOHWMDOCYAPNTA-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165283;MM165283;C=C1CC2(C)C(F)C2O1;FGBXLQJJHSNYSI-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165284;MM165284;C=C1CC2(N)C(C)C2O1;WVTPGVRHPNLNRQ-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165285;MM165285;CC1C2OC(=O)CC12N;INOFOHUUIMGDEW-UHFFFAOYSA-N;127.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165286;MM165286;C=C1CC2(N)C(O)C2O1;DAVSDFPETGWLDH-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165287;MM165287;C=C1CC2(O)C(C)C2O1;UXJBOCLQLDLPMU-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165288;MM165288;CC1C2OC(=O)CC12O;DHSTZILERTUSHG-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165289;MM165289;C=C1CC2(O)C(N)C2O1;BVUPJAYKVCWILW-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165290;MM165290;NC1C2OC(=O)CC12O;LSBOLNSMPXZVJH-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165291;MM165291;C=C1CC2(O)C(O)C2O1;RSLNLIAKPFGJDW-UHFFFAOYSA-N;128.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165292;MM165292;O=C1CC2(O)C(O)C2O1;KFTSJKYXJQFBAI-UHFFFAOYSA-N;130.1;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165293;MM165293;C=C1CC2(F)C(C)C2O1;SMSXMIHFVXQYDH-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165294;MM165294;CC1C2OC(=O)CC12F;ITTIGFMSODDJJA-UHFFFAOYSA-N;130.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165295;MM165295;CC1C2CC(=N)NC12C;XBGDQKRISAMEQS-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165296;MM165296;CC1C2CC(=O)NC12C;WVGJBPSIGZMZLG-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165297;MM165297;CC12NC(=O)CC1C2N;ZAOSNUFHCPQHSZ-UHFFFAOYSA-N;126.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165298;MM165298;CC12NC(=O)CC1C2O;BQWXRFXOLWBPEK-UHFFFAOYSA-N;127.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165299;MM165299;CC12NC(=N)CC1C2F;INLORWNYIOPQQQ-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165300;MM165300;C=C1CC2C(C)C2(C)O1;SHUZKYLIYPZKPD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165301;MM165301;CC1C2CC(=O)OC12C;DQAGSRUSYHGGMF-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165302;MM165302;CC12OC(=O)CC1C2O;DTUJFMFTRUNPIX-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165303;MM165303;C=C1CC2C(F)C2(C)O1;PJBVYVGCYMUWGS-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165304;MM165304;C=C1CC2N(C)C2(C)C1;YUERBRIBONPEPS-UHFFFAOYSA-N;123.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165305;MM165305;CC=C(N=CNO)NC=O;XFJDWHBCPDPOHK-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165306;MM165306;CC1N2NC(=N)CC12C;VMAVUGIVFKICRZ-UHFFFAOYSA-N;125.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165307;MM165307;CC1N2NC(=O)CC12C;FJYXMRABZNBWKM-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165308;MM165308;CC1=CC2C(C)C2(C)C1;CITWCQJTKIFCAL-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165309;MM165309;CC1C2C=C(F)CC12C;IHNBLQPLZVVALF-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165310;MM165310;CC1=CC2C(N)C2(C)C1;MMAQNYPXTBJNRC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165311;MM165311;CC12CC(F)=CC1C2N;ZRYJQGNBSZQWQV-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165312;MM165312;CC(N)=C(CO)C(=O)NN;JENKPUOEDDBJHG-UHFFFAOYSA-N;145.16;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165313;MM165313;CC12CC(F)=CC1C2O;GZSZHONRXWQXFR-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165314;MM165314;CC1=CC2C(F)C2(C)C1;YQOFVYACAOHPEE-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165315;MM165315;CC12CC(F)=CC1C2F;OLNAXXQUAGASHS-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165316;MM165316;CC1=CC2C(C)C2(N)C1;STEFXYJTESVAOZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165317;MM165317;CC1C2C=C(F)CC12N;WYVLUNWKUXMJIL-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165318;MM165318;CC1=CC2C(N)C2(N)C1;WSSBZSUTFUIBGE-UHFFFAOYSA-N;124.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165319;MM165319;CC1=CC2C(O)C2(N)C1;GOTOEMXXSOOMFN-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165320;MM165320;NC12CC(F)=CC1C2O;OAKIBMRLFYMMSS-UHFFFAOYSA-N;129.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165321;MM165321;CC1=CC2C(F)C2(N)C1;ZGZILKVJUGSGRN-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165322;MM165322;NC12CC(F)=CC1C2F;QTNBEAMHPAFATE-UHFFFAOYSA-N;131.13;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165323;MM165323;Cc1c(N)c(N)n(O)c1F;DXDJSDMCWHLQEI-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165324;MM165324;CC1C2C=C(F)CC12O;VSJNXINGGPYEEL-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165325;MM165325;CC1=CC2C(N)C2(O)C1;ZTIUIUBSOUWKML-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165326;MM165326;CC1=CC2C(O)C2(O)C1;QPIBKBLDFVAPLE-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165327;MM165327;OC1C2C=C(F)CC12O;FHKVWUWZGAZGRU-UHFFFAOYSA-N;130.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165328;MM165328;CC1=CC2C(C)C2(F)C1;CYNXPSHJHLZIBF-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165329;MM165329;CC1C2C=C(F)CC12F;ZAXUSBQYPHHDLH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165330;MM165330;NC1C2C=C(F)CC12F;ZNLVVDCKZISSGM-UHFFFAOYSA-N;131.13;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165331;MM165331;OC1C2C=C(F)CC12F;HUCCVOHCZITGIS-UHFFFAOYSA-N;132.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165332;MM165332;CC1=NN2C(C)C2(C)C1;OKGRZMLCZYUUKU-UHFFFAOYSA-N;124.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165333;MM165333;CC1(C)COC2CC21C;IKCYZCRJFIELLQ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165334;MM165334;CC1(N)COC2CC21C;CFBIUOHBHHFEQU-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165335;MM165335;CC1(O)COC2CC21C;CNSHUWFCLDFRNA-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165336;MM165336;CC1(C)C2CNCC21N;CJCNCMMCLBZISN-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165337;MM165337;CC1(C)C2NCCC21C;CLEWQSTWNPAQJX-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165338;MM165338;CC1(C)N2CCCC21C;GGMIQZHFYINPDE-UHFFFAOYSA-N;125.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165339;MM165339;C#CCCC1CC(C)C1;NIKCZEOPKKIISL-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165340;MM165340;C#CCCC1CC(=O)C1;PPTSUGLLZCEOGV-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165341;MM165341;C=CC=CC1CC(C)C1;IQWUGPIACQYFPV-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165342;MM165342;C#CC=CC1CC(C)C1;AEEZEEWTWCZVQA-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165343;MM165343;C#CC=CC1CC(N)C1;SBCSITWZSSSBJT-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165344;MM165344;CN=c1oc(=N)n(O)n1O;QCTGCMJFNGUFKR-UHFFFAOYSA-N;146.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165345;MM165345;C#CC=CC1CC(F)C1;DLALLQLWERYNSI-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165346;MM165346;C#CC=CC1CC(C)N1;FHOPHKDVDMXOGV-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165347;MM165347;C#CC=CC1CC(=O)C1;HJGIWQMUGQLWLZ-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165348;MM165348;CCC#CC1CC(C)C1;YANMEQFESLJQPH-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165349;MM165349;CCC#CC1CC(N)C1;WGEIQMLLXISUQB-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165350;MM165350;C=CC#CC1CC(C)C1;KNUVVHSEQHOXOO-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165351;MM165351;CC1CC(C#CC#N)C1;PIVODJWDYCDLRB-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165352;MM165352;C=CC#CC1CC(N)C1;DIIOUGICDHNFQW-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165353;MM165353;NN=c1on(O)c(F)c1N;FTQZXLMGPACYHI-UHFFFAOYSA-N;148.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165354;MM165354;N#CC#CC1CC(O)C1;JKXJDHNMNDRDTO-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165355;MM165355;C=CC#CC1CC(F)C1;ADLKYZKPUFFNSX-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165356;MM165356;N#CC#CC1CC(F)C1;HMNSVWBMSGGZSX-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165357;MM165357;C=CC#CC1CC(C)N1;SXBNJQJOUPMXNJ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165358;MM165358;C#CC#CC1CC(C)C1;ZCNVAQOMQGTQQS-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165359;MM165359;C#CC#CC1CC(N)C1;OXBHDVUPGGOXHF-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165360;MM165360;C#CC#CC1CC(O)C1;FWDYLNBKNGUDLK-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165361;MM165361;C#CC#CC1CC(F)C1;HWDAROPIRXZJSA-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165362;MM165362;C#CC#CC1CC(C)N1;RAZUKAZRPPLONJ-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165363;MM165363;C#CC#CC1CC(C)O1;AZYNWJPJDYNXAW-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165364;MM165364;C=CC#CC1CC(=O)C1;NXXXIAVEYBOVKD-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165365;MM165365;N#CC#CC1CC(=O)C1;GMDACSNGEFUNJZ-UHFFFAOYSA-N;119.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165366;MM165366;C=CC#CC1CC(=O)N1;XLGZQWYMMBAUKW-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165367;MM165367;N#CC#CC1CC(=O)N1;QLUAHWWIFDPPKM-UHFFFAOYSA-N;120.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165368;MM165368;N#CC#CC1CC(=O)O1;XKYXMEPRDLNUAF-UHFFFAOYSA-N;121.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165369;MM165369;C#CC#CC1CC(=O)C1;ZTTRGFVFQZRYLG-UHFFFAOYSA-N;118.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165370;MM165370;C#CC#CC1CC(=O)N1;DZUGGIZQLGNECW-UHFFFAOYSA-N;119.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165371;MM165371;C#CC#CC1CC(=O)O1;VUDWJZVHZGODAI-UHFFFAOYSA-N;120.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165372;MM165372;CN(C)N=c1occo1;LZOJORIOLQJBGI-UHFFFAOYSA-N;128.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165373;MM165373;CN(C)N=c1ocno1;ZLQDJJQQAXRPCY-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165374;MM165374;CN(C)N=c1onno1;ZAEJFZQWTUXTQN-UHFFFAOYSA-N;130.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165375;MM165375;CC1(C)C2CC(N)CC21;ZNJOPSPFBKRYLQ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165376;MM165376;CC1CC2C(C1)C2(C)N;QGKOUXJHSNDJLK-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165377;MM165377;CC1CC2C(C1)C2(F)F;WHTXUMLGSFSPMT-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165378;MM165378;CC1(O)C2CC(=O)CC21;WIKUOQFKVFLNSM-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165379;MM165379;C=C1CC2C(C1)C2(C)F;MJFYQVZRVINAND-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165380;MM165380;CC1(F)C2CC(=O)CC21;JRUCFCBVOABZQM-UHFFFAOYSA-N;128.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165381;MM165381;C=C1CC2C(C1)C2(F)F;NPAYOIKIQPBBFU-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165382;MM165382;O=C1CC2C(C1)C2(F)F;YJHBCKLZZDQYMK-UHFFFAOYSA-N;132.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165383;MM165383;CC1(C)C2CC(=N)NC21;YXTHZTFFYOYPBJ-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165384;MM165384;CC1(C)C2CC(=O)NC21;OYGIZEXZAIVXRT-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165385;MM165385;CC1(N)C2CC(=N)NC21;AESMQTGWUQCNBM-UHFFFAOYSA-N;125.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165386;MM165386;CC1(N)C2CC(=O)NC21;LSZDXEWBASTENM-UHFFFAOYSA-N;126.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165387;MM165387;CC1(O)C2CC(=N)NC21;ZBTLEONQCYBIFQ-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165388;MM165388;CC1(O)C2CC(=O)NC21;YXFHFARYMYFLGC-UHFFFAOYSA-N;127.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165389;MM165389;CC1(F)C2CC(=O)NC21;CQEZFAVIMGADTM-UHFFFAOYSA-N;129.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165390;MM165390;C=C1CC2C(O1)C2(C)C;YJUNCNBBZJEGAE-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165391;MM165391;CC1(C)C2CC(=O)OC21;DWNVDESYNMDNTD-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165392;MM165392;C=C1CC2C(O1)C2(C)N;FSJDBJYYNBBRLU-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165393;MM165393;CC1(N)C2CC(=O)OC21;DCGBSWVYROSGDI-UHFFFAOYSA-N;127.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165394;MM165394;C=C1CC2C(O1)C2(C)O;OVUGYMIYNSRDFJ-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165395;MM165395;CC1(C)C2CC(=N)NN21;JFKNDMKUCJKBGS-UHFFFAOYSA-N;125.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165396;MM165396;CC1(C)C2CC(=O)NN21;YVWUSLCKYOSRAZ-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165397;MM165397;CC1=CC2C(C1)C2(C)C;RJXSKRYMYPHLKT-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165398;MM165398;CC1(C)C2C=C(F)CC21;ISKNSELPYIAWDP-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165399;MM165399;CC1=CC2C(C1)C2(C)N;OXUVHVVDJVWQBK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165400;MM165400;CC1(N)C2C=C(F)CC21;AGCVKAQVIYECNO-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165401;MM165401;C=CC(CF)CNNC=O;MIQNPRYRMUNYTH-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165402;MM165402;CC1(O)C2C=C(F)CC21;BWLGQOLERLIHKO-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165403;MM165403;CC1=CC2C(C1)C2(C)F;POEUNDZXRUIIGW-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165404;MM165404;CC1(F)C2C=C(F)CC21;PREUVSLXHIVYAU-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165405;MM165405;CC1=CC2C(C1)C2(F)F;DJNSEPSLSVJESR-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165406;MM165406;FC1=CC2C(C1)C2(F)F;OICLRRCULHJQRV-UHFFFAOYSA-N;134.1;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165407;MM165407;CC1C2CC(C)(C)CC12;VWACEURPHAOYIW-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165408;MM165408;CC1C2CC(F)(F)CC12;MSAAEUGPYIFTHZ-UHFFFAOYSA-N;132.15;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165409;MM165409;CC1(F)CC2C(N)C2C1;AQDIVPQLBJDVLA-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165410;MM165410;CC1C2OC(C)(C)OC12;VPDKWAZIOGRCAY-UHFFFAOYSA-N;128.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165411;MM165411;CN1C2CC(C)(C)CC21;FBIPUQHRNZOJIO-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165412;MM165412;CN1C2CC(C)(N)CC21;IFMZBVNBGBJSNO-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165413;MM165413;CN1C2CC(C)(F)CC21;NYNDVXBUTYTJGW-UHFFFAOYSA-N;129.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165414;MM165414;CC1C2CC(C)(N)CN12;PTYOIYVXYJVXFC-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165415;MM165415;CC12CC1C1CC1(C)C2;BYNIEOZTKICVIB-UHFFFAOYSA-N;122.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165416;MM165416;CC12CC1C1CC1(N)C2;NXUCOWLRLFWWQY-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165417;MM165417;COC1(CNNC=O)CC1;ZWCJICCOMQROGV-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165418;MM165418;CC12CC1C1CC1(F)C2;HENVRKIQCSJTIQ-UHFFFAOYSA-N;126.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165419;MM165419;NC12CC1C1CC1(N)C2;INNDGCKDZBBYFS-UHFFFAOYSA-N;124.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165420;MM165420;NC12CC1C1CC1(O)C2;AOVURWBSWUKVBM-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165421;MM165421;NC12CC1C1CC1(F)C2;ZLHRIKRSXZDDSG-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165422;MM165422;OC12CC1C1CC1(O)C2;JOKWYICVPOIHPG-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165423;MM165423;OC12CC1C1CC1(F)C2;ZSWZDPGFXZNGAM-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165424;MM165424;FC12CC1C1CC1(F)C2;JYGLOTFNEHIWPQ-UHFFFAOYSA-N;130.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165425;MM165425;CC12CC1C1OC1(C)C2;FVHPGRAYTLBFCL-UHFFFAOYSA-N;124.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165426;MM165426;CC12CC3(N)CC3C1O2;SUVAHEVJXUIZRZ-UHFFFAOYSA-N;125.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165427;MM165427;CC12CC3(O)CC3C1O2;VHAZRAWXJAMZJM-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165428;MM165428;CC12CC3(F)CC3C1O2;DKFYSBHSOLXZAI-UHFFFAOYSA-N;128.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165429;MM165429;CC12CC3(C)OC3C1O2;KNNSUNAAFQXCRY-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165430;MM165430;CC12CC1N1CC1(C)C2;BDOFNYFEAQJNKR-UHFFFAOYSA-N;123.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165431;MM165431;CCC1(CNNC=O)CO1;YSKLXBWSAYQDNZ-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165432;MM165432;CC12CC3(C)C(O1)C3O2;HKUHITYCRKOVGC-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165433;MM165433;CC12CC3(F)C(O1)C3O2;GXSJGUBTKYXENX-UHFFFAOYSA-N;130.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165434;MM165434;CCCCCC(C)CC;SEEOMASXHIJCDV-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165435;MM165435;CCC(C)CCCCN;NBWWCIQUCAHONY-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165436;MM165436;CCC1=NN=C(NO)NN1;WZVJUCKVRVPWAR-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165437;MM165437;CCC(C)CCCCF;CQIGHJWIIAEGMY-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165438;MM165438;CCCCCC(C)CN;BHZFOIHRKRXWLL-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165439;MM165439;CC(CN)CCCCN;BUGIFNPYQVKODR-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165440;MM165440;CC(CN)CCCCO;XREJRTUVFFNZED-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165441;MM165441;CC(CN)CCCCF;RWVDKIULIAUPSO-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165442;MM165442;CC(CO)C(=O)NN;KYDRUBOGWMQXPM-UHFFFAOYSA-N;118.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165443;MM165443;CC(CO)CCCCN;UGUDUJKFJHUXLW-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165444;MM165444;CC(CO)NNC=O;RBSSYVVQWYSJQB-UHFFFAOYSA-N;118.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165445;MM165445;CCC1(O)C=NOC1;ZXCZJUFWJNXPOD-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165446;MM165446;CCCCCC(C)CF;KXOGHEHIVWEUQM-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165447;MM165447;CC(CF)CCCCN;PDDNKVKXSPVRIT-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165448;MM165448;C#CCCNNC=O;KZJQIURAHIVZAU-UHFFFAOYSA-N;112.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165449;MM165449;CCCCCC(N)CC;JASMWYNKLTULAN-UHFFFAOYSA-N;129.25;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165450;MM165450;CCC(N)CCCCN;ZOMZNNQGMGBLHO-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165451;MM165451;CCC(N)CCCCO;VLEVRVKEHGFBRA-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165452;MM165452;CCC(N)CCCCF;PIOKPNFCEXJUOQ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165453;MM165453;CCCCCC(N)CN;PGGXMTDBCVGBLO-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165454;MM165454;NCCCCC(N)CN;RPDQDBRTJIPWMJ-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165455;MM165455;NCC(N)CCCCO;PSOCHIYIZVMZGN-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165456;MM165456;NCC(N)CCCCF;UZSUTVHQRRXZFR-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165457;MM165457;CCCCCC(N)CO;PKGKENZMQLXYCF-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165458;MM165458;NCCCCC(N)CO;LTGPFZWZZNUIIK-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165459;MM165459;CCCCCC(N)CF;IMLBFMHOVISMFT-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165460;MM165460;NCCCCC(N)CF;JLPYEBZCVQQJTC-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165461;MM165461;C=C(CC(=O)NN)OC;IGHIWDZKBNFVKP-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165462;MM165462;CC(CNNC=O)=NN;AMNCVXMZRJKHMQ-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165463;MM165463;C#CC1(O)CC1NN=C;XHKAGABANMSFNQ-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165464;MM165464;CCCCCC(O)CN;QLELJGOOIWJCOZ-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165465;MM165465;NCCCCC(O)CN;QKJWCMWLFMRPLU-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165466;MM165466;CCCCCC(O)CO;GCXZDAKFJKCPGK-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165467;MM165467;OCCCCC(O)CO;ZWVMLYRJXORSEP-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165468;MM165468;CCCCCC(O)CF;LCENFXJHQWHXCL-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165469;MM165469;NCCCCC(O)CF;HAZVYQRVTZVVJV-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165470;MM165470;OCCCCC(O)CF;CUJKEJGWRVQERO-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165471;MM165471;OC(CF)CCCCF;QSROTBFSMFQSOR-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165472;MM165472;CCCCCC(F)CC;CEFNSYYVHLDONX-UHFFFAOYSA-N;132.22;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165473;MM165473;COC1=CC(=N)N(O)C1;NHDLTDPGGQWRBH-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165474;MM165474;CCC(F)CCCCF;ZTSZZQWQFLBELS-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165475;MM165475;CCCCCC(F)CN;SQXJEZKMMYSNSC-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165476;MM165476;NCCCCC(F)CN;IJQKKWLDBTYESV-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165477;MM165477;NCC(F)CCCCO;KYXNPULEHJBMSO-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165478;MM165478;CCCCCC(F)CO;UEBHTEIKXIPNGN-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165479;MM165479;NCCCCC(F)CO;IRXPIWHKCZBENP-UHFFFAOYSA-N;135.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165480;MM165480;OCCCCC(F)CO;KZRPHPJUVKXNQB-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165481;MM165481;OCC(F)CCCCF;SKSZLUBPWXUJCX-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165482;MM165482;CCCCCC(F)CF;HPPLJOAVLLCDIX-UHFFFAOYSA-N;136.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165483;MM165483;NCCCCC(F)CF;ASWOPKKZDANGNW-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165484;MM165484;CCc1cn(C)c(O)n1;NAPHLKNOAXOEEK-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165485;MM165485;CCC(C)CCCNC;ZYBJUDDFAFXIHO-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165486;MM165486;CNCCCC(C)CF;VSPNZVFDNKCFPI-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165487;MM165487;CCC(N)CCCNC;GBWMPOURHWRZBA-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165488;MM165488;CNCCCC(N)CO;HRDLMTMPPOFXNZ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165489;MM165489;CNCCCC(N)CF;XUSKPKGFVMRSGN-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165490;MM165490;CCC(O)CCCNC;PWHMFGTUHSQBEI-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165491;MM165491;CNCCCC(O)CN;TYWOWRAJRJOUEQ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165492;MM165492;CNCCCC(F)CN;QBKIHDJJPHTAPP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165493;MM165493;CNCCCC(F)CO;XTSHOINCCMKPON-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165494;MM165494;CCC(C)CCCOC;XUVXUZKEFZHBSX-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165495;MM165495;COCCCC(C)CN;DEMLURHHYFAZCT-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165496;MM165496;CNc1cn(O)c(C)n1;KWMPADGEXMJYBY-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165497;MM165497;CCC(N)CCCOC;QKRLFAFXJQUGHI-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165498;MM165498;CCCCCC(C)NC;BGWFQRDYRSCOCO-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165499;MM165499;CNC(C)CCCCN;NRULYWOAGWKPLT-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165500;MM165500;CNC(C)CCCCO;UABIDSXFBNNUFT-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165501;MM165501;CNC(C)CCCCF;CARKKPOKKABOEU-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165502;MM165502;CNC(C)CCCOC;ZBNUQEXSIJYKEQ-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165503;MM165503;CCCCCC(C)OC;XKHTUKHDGNJTLD-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165504;MM165504;CNCCCC(C)OC;OTIBDNPGQUBBMC-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165505;MM165505;CCNCCC(C)CC;PWYDXOXQKMYSCB-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165506;MM165506;CCNCCC(C)CN;QIFXAGNEEIACEB-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165507;MM165507;CCNCCC(C)CO;XZQDGRSWUZMXKS-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165508;MM165508;CCNCCC(C)CF;AKZDPAHVLIWJSD-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165509;MM165509;CCNCCC(N)CC;SRXDJJZBDIKNBE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165510;MM165510;CCNCCC(N)CN;ZJJHZPUMVZDPNZ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165511;MM165511;CCNCCC(N)CF;TVQJGTTWYYTXCP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165512;MM165512;CCNCCC(O)CC;MCGFBHNCEOTQEV-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165513;MM165513;CCNCCC(O)CF;BUWOTWYIDOXGTO-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165514;MM165514;CCNCCC(F)CC;JNKGSRCOOPCGSR-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165515;MM165515;CCNCCC(F)CO;DFWPBXAJNMYFHG-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165516;MM165516;CCNCCC(F)CF;PDWXUDMYIUBIFS-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165517;MM165517;CCNCCC(C)OC;UQOLJAXYUNGMDK-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165518;MM165518;CCOCCC(C)CC;UYVAUDQQSCEZEL-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165519;MM165519;CCOCCC(C)CN;AQBRNRPCNNEHML-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165520;MM165520;CCOCCC(C)CO;JWQJLIQESDUDLM-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165521;MM165521;CCOCCC(C)CF;HAXGHLFNYIHWEB-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165522;MM165522;CCOCCC(N)CC;MMXCYNAXNYELBK-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165523;MM165523;CCOCCC(N)CN;WQJVYDFBOFPQIO-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165524;MM165524;CCOCCC(N)CO;IFSPZGLPADZEHP-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165525;MM165525;CCOCCC(O)CC;LQIBOAZAEQOEMM-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165526;MM165526;CCOCCC(O)CN;JNQJCRNOZGLREZ-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165527;MM165527;CCOCCC(O)CO;YKCLGFPSEBGZPU-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165528;MM165528;CCOCCC(F)CC;FCVPUYRWWXCSPY-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165529;MM165529;CCOCCC(F)CN;YBVSEBASQSYLPS-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165530;MM165530;CCOCCC(F)CF;FRFYFUNUBKQDLH-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165531;MM165531;CCOCCC(C)NC;VZACOZHUTOUXJZ-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165532;MM165532;CCOCCC(C)OC;PNJBKFAJCTUOCF-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165533;MM165533;CCCNCC(C)CC;NEZXZJALWPRKGA-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165534;MM165534;CCC(C)CNCCN;VZEXFYZRPRDBHM-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165535;MM165535;CCC(C)CNCCO;LYOUIPAWIRANIU-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165536;MM165536;CCC(C)CNCCF;CUFJCKYXROHQRK-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165537;MM165537;CCCNCC(C)CN;VRISNSLFRIQWCS-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165538;MM165538;CC(CN)CNCCN;YFKYZBMNLKYZRO-UHFFFAOYSA-N;131.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165539;MM165539;CC(CN)CNCCO;SHPORWXHQJYHGN-UHFFFAOYSA-N;132.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165540;MM165540;CCCNCC(C)CO;UAVWIKPXCFOHIC-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165541;MM165541;CC(CO)CNCCN;LFYDTFISMGYCRC-UHFFFAOYSA-N;132.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165542;MM165542;CCCNCC(C)CF;UJBRATDIPAYPHK-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165543;MM165543;CC(CF)CNCCF;FVLJCQIERAMQDX-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165544;MM165544;CCCNCC(N)CC;FLCLDNZXOIZFSK-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165545;MM165545;CCC(N)CNCCN;SACRTWCBLNAFLV-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165546;MM165546;CCC(N)CNCCF;IFQRZEGGCLDPCX-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165547;MM165547;CCCNCC(N)CN;SNCQARFAACWORQ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165548;MM165548;NCCNCC(N)CN;AABDRYJVOYRXTJ-UHFFFAOYSA-N;132.21;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165549;MM165549;NCC(N)CNCCO;WUDNJPZMMYOMDA-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165550;MM165550;NCCNCC(N)CO;QOMYOBYTEZDKHC-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165551;MM165551;NC(CO)CNCCO;LJEBUWMMMGPYIA-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165552;MM165552;NC(CO)CNCCF;YCNLVBFBZDBRTG-UHFFFAOYSA-N;136.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165553;MM165553;NCCNCC(N)CF;JVEOQJRZODJVAE-UHFFFAOYSA-N;135.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165554;MM165554;NC(CF)CNCCO;HPWXYNUFFKWHMW-UHFFFAOYSA-N;136.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165555;MM165555;NC(CF)CNCCF;XWNHFTFHTWFZKA-UHFFFAOYSA-N;138.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165556;MM165556;CCCNCC(O)CC;PYEFENGRLHWSIJ-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165557;MM165557;CCC(O)CNCCN;FSRIVDLBMYWIAO-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165558;MM165558;CCCNCC(O)CN;QWEKBZHIOQRZHT-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165559;MM165559;NCCNCC(O)CN;JKWUKVQMFDEVES-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165560;MM165560;NCC(O)CNCCO;GKJMIHAOPXOJJT-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165561;MM165561;OCCNCC(O)CO;WDMIBBXCJKNKPN-UHFFFAOYSA-N;135.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165562;MM165562;OCCNCC(O)CF;SDMIXHIBEQCMNG-UHFFFAOYSA-N;137.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165563;MM165563;CCCNCC(F)CC;WWIXVZTXUADCPR-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165564;MM165564;CCC(F)CNCCO;OFZHAZLGXNOTQG-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165565;MM165565;NCCNCC(F)CN;UQQXMTXUFLEYBP-UHFFFAOYSA-N;135.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165566;MM165566;NCCNCC(F)CO;GBEFOLQMEGLFGT-UHFFFAOYSA-N;136.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165567;MM165567;CCCNCC(F)CF;VISXOKVFXYIFKO-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165568;MM165568;CNC(C)CNCCN;PPJODVFYPGBELW-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165569;MM165569;CNC(C)CNCCO;VPILCYZPFYYUGL-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165570;MM165570;CNC(C)CNCCF;DNCLCAVNOGXCKC-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165571;MM165571;CCCNCC(C)OC;QFJLQQKQQILQOW-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165572;MM165572;COC(C)CNCCO;QTVTWWCGQPXLRP-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165573;MM165573;CCCOCC(C)CC;UIENZFZXINKTET-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165574;MM165574;CCC(C)COCCN;VEFOMJRMWCMGKI-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165575;MM165575;CCC(C)COCCO;FNNUFIVGNYFGSQ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165576;MM165576;CCCOCC(C)CN;ZJJGUCLTLPBBDC-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165577;MM165577;CCCOCC(C)CO;HDQOMVRJEZLCLY-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165578;MM165578;CCCOCC(C)CF;PHHYYKJGJMIWAR-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165579;MM165579;CC(CF)COCCO;YLYVCHQFRWVUEO-UHFFFAOYSA-N;136.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165580;MM165580;CC(CF)COCCF;VZZVXHWSTOASKV-UHFFFAOYSA-N;138.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165581;MM165581;CCCOCC(N)CC;DNSCDZLCKKKJLW-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165582;MM165582;CCC(N)COCCN;ZDIXWJUBUOTZIO-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165583;MM165583;CCC(N)COCCO;DZFUZSDCYNZQNW-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165584;MM165584;CCCOCC(N)CN;GFVNORXBHQJDBI-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165585;MM165585;NCCOCC(N)CN;DBEKHYKHHCWFCV-UHFFFAOYSA-N;133.2;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165586;MM165586;NCC(N)COCCO;LQLUQEYYOVEAQH-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165587;MM165587;CCCOCC(N)CO;ODQVXCXPNLIQSE-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165588;MM165588;NCCOCC(N)CO;QWUFYZYVXMIPKR-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165589;MM165589;NC(CO)COCCO;ZDFZAJAUPIDEIG-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165590;MM165590;NCCOCC(N)CF;BXRDVBQHGVDGKO-UHFFFAOYSA-N;136.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165591;MM165591;NC(CF)COCCO;IMVHDAIYJPJTRW-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165592;MM165592;CCCOCC(O)CC;NVHNPNNZMBSXIF-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165593;MM165593;NCCOCC(O)CN;LZHJDEOCOKPWKM-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165594;MM165594;NCC(O)COCCO;IGFTXFPTQKCLTN-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165595;MM165595;NCCOCC(O)CO;ZFIWQJSBOWPVRG-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165596;MM165596;OCCOCC(O)CO;YHXNHYKKDRMEEH-UHFFFAOYSA-N;136.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165597;MM165597;NCCOCC(O)CF;AZOQDZMUQOGGNH-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165598;MM165598;OCCOCC(O)CF;SZHDMLNATQMTLC-UHFFFAOYSA-N;138.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165599;MM165599;OC(CF)COCCF;PKHDTIDFWVUNEQ-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165600;MM165600;CCCOCC(F)CC;WAFFWLZDDDMJIJ-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165601;MM165601;NCCOCC(F)CN;CNNICHVPXFJMRB-UHFFFAOYSA-N;136.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165602;MM165602;NCC(F)COCCO;FMHVJNZMHXWBRJ-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165603;MM165603;CCCOCC(F)CO;HXVLOGWKKNCDEM-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165604;MM165604;NCCOCC(F)CO;BRRSJXXVEMUVPH-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165605;MM165605;OCCOCC(F)CO;VWQJWIHMGHGHLF-UHFFFAOYSA-N;138.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165606;MM165606;OCC(F)COCCF;YNFZCBMKSQLNNY-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165607;MM165607;CCCOCC(F)CF;DRHGGEHRBOFBEI-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165608;MM165608;OCCOCC(F)CF;FXLXUMYQRNWTBT-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165609;MM165609;CCC(C)COCOC;QAIFCOXYDJGGCM-UHFFFAOYSA-N;132.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165610;MM165610;COCOCC(N)CN;BNSGQUUMTVTSQH-UHFFFAOYSA-N;134.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165611;MM165611;COCOCC(N)CO;HHPQKXNMWIYMJI-UHFFFAOYSA-N;135.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165612;MM165612;COCOCC(N)CF;KPUPYQNVFXMAOS-UHFFFAOYSA-N;137.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165613;MM165613;COCOCC(O)CN;HDPKEBKNJKASGG-UHFFFAOYSA-N;135.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165614;MM165614;COCOCC(O)CO;NCFZGVLSIFYNDK-UHFFFAOYSA-N;136.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165615;MM165615;COCOCC(F)CN;YYVFRUSLDXGKKA-UHFFFAOYSA-N;137.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165616;MM165616;CCCOCC(C)NC;PSLSEWYGWAKUAD-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165617;MM165617;CNC(C)COCCO;WXQILWSJYOVHQF-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165618;MM165618;CNC(C)COCOC;OVQWNVKREWEWBY-UHFFFAOYSA-N;133.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165619;MM165619;CCCOCC(C)OC;MBSZMXCNAYNAQN-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165620;MM165620;COC(C)COCCN;YDKAHECTADDYPI-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165621;MM165621;COC(C)COCCO;YEJXEZFLTWDARB-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165622;MM165622;CCCCNC(C)CC;MWZXRLJDNKCYOQ-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165623;MM165623;CCC(C)NCCCN;RGAYJNGHWOMPBI-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165624;MM165624;CCC(C)NCCCO;VMPRBERBKMHSKG-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165625;MM165625;CCC(C)NCCCF;LGEQKBOLVCLMLI-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165626;MM165626;CCCCNC(C)CN;UIRHUEXBTGDGHZ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165627;MM165627;CC(CN)NCCCN;HHMNLOSSVDLFES-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165628;MM165628;CC(CN)NCCCF;PXNKQRHSCJOAID-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165629;MM165629;CCCCNC(C)CO;PGUQLWBFYNLYAB-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165630;MM165630;CCCCNC(C)CF;IWWCKGIKIDLEGG-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165631;MM165631;CNCCNC(C)CO;DYEAZRHUYUGTRY-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165632;MM165632;CCC(C)NCCOC;BXFXGWKIOJCARL-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165633;MM165633;COCCNC(C)CO;KMHOXVWGEDOQOB-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165634;MM165634;CCCCOC(C)CC;LPVMPBNUHJKNHA-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165635;MM165635;CCC(C)OCCCO;AOCNNFWFNNLLAV-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165636;MM165636;CCCCOC(C)CN;INNITBXIRUWGCX-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165637;MM165637;CCCCOC(C)CO;WGKZYJXRTIPTCV-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165638;MM165638;CC(CO)OCCCO;PEMZXAMXLONKKE-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165639;MM165639;CC(CO)OCCCF;XWASBUSECJWNPM-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165640;MM165640;CCCCOC(C)CF;JPLXXHXPMWUALB-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165641;MM165641;CC(CF)OCCCO;PIJFXGXOGOOMGT-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165642;MM165642;CCC(C)OCCNC;AEQUPOOYBVTNOG-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165643;MM165643;CNCCOC(C)CO;MEXBNWBYPQRRBK-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165644;MM165644;COCCOC(C)CN;MSXWVURKPWKQKJ-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165645;MM165645;COCCOC(C)CO;JUVLKHUNJZRWLN-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165646;MM165646;CCCCOC(C)OC;DGUULUIJEFJCKG-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165647;MM165647;COC(C)OCCCN;WWHBJWZPUMJUAR-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165648;MM165648;CCOCOC(C)CC;WLCHNYQQRXSZER-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165649;MM165649;CCOCOC(C)CF;NMOUMHYXVYNCGK-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165650;MM165650;CCOCOC(C)OC;AKTNWVWFHIYORU-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165651;MM165651;CCCCCN(C)CC;WJSIFDOFSKLUHL-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165652;MM165652;CCN(C)CCCCN;BGXVZJGJANSSCI-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165653;MM165653;CCN(C)CCCCO;BXZJLGOIFJGHOW-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165654;MM165654;CCN(C)CCCNC;INNQDIQCMPWWNU-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165655;MM165655;CCN(C)CCCOC;XPTKKPZUFLLNNA-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165656;MM165656;CCNCCN(C)CC;KEUXZGFIRAKFAG-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165657;MM165657;CCOCCN(C)CC;QRNMBYCPVJHTTJ-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165658;MM165658;C=CCCCC(C)CC;NFTYCFXCGQYTKV-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165659;MM165659;CCC(C)CCCC=O;RRTVBKXBOQHBMV-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165660;MM165660;CCC(C)CCCC#N;HPTYTBBFJDRVHG-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165661;MM165661;C=CCCCC(C)CN;XQNMCTHUJHXMIJ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165662;MM165662;CNN=CCNNC=O;DSYCVLLJAZMNJE-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165663;MM165663;CC(=O)NNC(C)C(C)O;YFCAFOPQIDMOEG-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165664;MM165664;C=CCCCC(C)CF;GRNJILOOBWEUQN-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165665;MM165665;CC(CF)CCCC=O;ZPGMCRWADHOIOM-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165666;MM165666;CC(CF)CCCC#N;BOTIAJMMACAXTH-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165667;MM165667;C=CCCCC(N)CC;AFESTPCHYQCDMC-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165668;MM165668;CNNC(=O)C=C(C)OC;VAFZZNAUPXZPAM-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165669;MM165669;CC#CC(C)=CC(=O)NN;OLLBWTJDQYVDRT-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165670;MM165670;CCN(CC(C)O)NC=O;ALLPCCMUMMUINM-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165671;MM165671;C=CCCCC(O)CO;MMKZGAYMWPTUJT-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165672;MM165672;O=CCCCC(O)CO;BCCHUSAXPHBYGO-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165673;MM165673;N#CCCCC(O)CO;NDJNMYLHXMCVJM-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165674;MM165674;C=CCCCC(O)CF;CHKLFPHYOCSPBE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165675;MM165675;C=CCCCC(F)CC;YWIGWXXJTKYWFF-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165676;MM165676;CCC(F)CCCC=O;DNQOMWQNVOHQPG-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165677;MM165677;CCC(F)CCCC#N;GXGFXTQBYDWYPX-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165678;MM165678;C=CCCCC(F)CN;SGZXBUMLWUGXQO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165679;MM165679;C=CCCCC(F)CO;GTAGYWQDWCAXEA-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165680;MM165680;N#CCCCC(F)CO;PUWHACKEAMOMBI-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165681;MM165681;C=CCCCC(F)CF;CUFCPFOHLBAFAS-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165682;MM165682;O=CCCCC(F)CF;WXRJZLXRYQIZJT-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165683;MM165683;N#CCCCC(F)CF;HRMYZSZTBACKDS-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165684;MM165684;C=CCCCC(C)NC;KVVMOHCHNCSRPS-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165685;MM165685;CNC(C)CCCC=O;YGJOPSZVXNXNQN-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165686;MM165686;C=CCCCC(C)OC;YQPQSUPRPQVFCC-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165687;MM165687;COC(C)CCCC=O;BVLFDKFUHALDGW-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165688;MM165688;COC(C)CCCC#N;DKRGXGHFJFLIRN-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165689;MM165689;CCC(C)CCNC=N;SQUPBTQBVGYLJW-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165690;MM165690;CNNC(=O)C=CC=NN;SPWDHEIRKTUNAG-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165691;MM165691;CC(CN)CCNC=N;IFVQXMUUVPRGEB-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165692;MM165692;CC(CN)CCNC=O;ORVSUSREQFJQDI-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165693;MM165693;CC(CO)CCNC=N;VJWNMTVFIMMMSS-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165694;MM165694;CC(CO)CCNC=O;HOWOAZWIYDCGBS-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165695;MM165695;CC(CF)CCNC=N;JPSAVFYAUSNSQS-UHFFFAOYSA-N;132.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165696;MM165696;CCC(N)CCNC=N;UOZXYOVRMNSLNC-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165697;MM165697;CCC(N)CCNC=O;JZSQUWKCRQBXOI-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165698;MM165698;N=CNCCC(N)CN;IUEHCYWMISUGDV-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165699;MM165699;NCC(N)CCNC=O;RFKNZDCBNAWXTR-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165700;MM165700;N=CNCCC(N)CO;DHZDIHVOHRDKKB-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165701;MM165701;NC(CO)CCNC=O;JVIJEAZTMXYJFH-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165702;MM165702;CCC(O)CCNC=N;KNBNGSRIBQPENH-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165703;MM165703;N=CNCCC(O)CN;KRTAIDYEATXYPO-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165704;MM165704;NCC(O)CCNC=O;NJBWTDLAYCUMMD-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165705;MM165705;N=CNCCC(O)CO;IJWAZGDBNFNKAE-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165706;MM165706;N=CNCCC(O)CF;AKJDAGUSMBMMSA-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165707;MM165707;CCC(F)CCNC=N;YSIBASGUWYKBJX-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165708;MM165708;NCC(F)CCNC=O;GZWWUXLCJWFURQ-UHFFFAOYSA-N;134.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165709;MM165709;C=NNCCC(C)CC;XWHPPEALPCVADL-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165710;MM165710;C=NNCCC(C)CF;VZKXRJZVPSYLQW-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165711;MM165711;C=NNCCC(N)CN;DDEVCRPVMHHEST-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165712;MM165712;C=NNCCC(N)CO;FYAWDSJDAKWHJW-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165713;MM165713;C=NNCCC(O)CN;JUELVSGUGMHJSS-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165714;MM165714;C=NOC(=NOC)C(N)=O;PYYCCROSVYIBIM-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165715;MM165715;CCCc1cn(C)c(O)n1;BMLFHVUEYDDDHJ-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165716;MM165716;C=NNCCC(F)CN;BOOFQCUDFIJKEE-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165717;MM165717;CCN=c1oc(=O)on1O;UDHPYGNETLEZAX-UHFFFAOYSA-N;146.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165718;MM165718;CNC(C)CCNC=O;CQFXMEDLMSDDNI-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165719;MM165719;C=COCCC(C)CC;KIEKHFAKTFLUGJ-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165720;MM165720;CCC(C)CCOC=O;XVTXGTMFTKXDJM-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165721;MM165721;C=COCCC(C)CN;KQHIHIZNCHKNDE-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165722;MM165722;CC(CN)CCOC=O;BXBVFFBADZPKSQ-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165723;MM165723;C=COCCC(C)CF;VVLICBIZTWZGDR-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165724;MM165724;CC(CF)CCOC=O;ZXWNKECFKRYNOK-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165725;MM165725;C=COCCC(N)CC;CKEINEXVVRPMMQ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165726;MM165726;C=COCCC(N)CN;KODLISRTXUHJLO-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165727;MM165727;NCC(N)CCOC=O;YBPIBBNTRMVESL-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165728;MM165728;NC(CO)CCOC=O;LGGKLGYSWMBIII-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165729;MM165729;NC(CF)CCOC=O;YBUBAPMQJKJRNS-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165730;MM165730;C=COCCC(O)CC;OOBPJGJIGMRMSB-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165731;MM165731;C=COCCC(O)CN;MBZQPYDEZLXWSZ-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165732;MM165732;NCC(O)CCOC=O;VHJXCIMPMXTAPB-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165733;MM165733;C=COCCC(O)CO;XFTBDYPQVXRYMO-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165734;MM165734;O=COCCC(O)CO;MPXCNWITASPORX-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165735;MM165735;C=COCCC(O)CF;ZFQWNGQCYBRMSX-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165736;MM165736;O=COCCC(O)CF;YXXMUDCMUJWOGI-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165737;MM165737;C=COCCC(F)CC;JIZQYPCAWUPDJB-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165738;MM165738;NCC(F)CCOC=O;VTABGCOJHXULLV-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165739;MM165739;C=COCCC(F)CO;CHWKBSPYGPQKMG-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165740;MM165740;O=COCCC(F)CO;WZKMHSUFBAFTJU-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165741;MM165741;C=NOCCC(C)CC;UAAMKMRSLWQXKE-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165742;MM165742;C#CC(O)(CC)CNN=C;OZFGRPRDBOPLSG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165743;MM165743;C=NOCCC(C)CF;CDNRDYGPNRPKTR-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165744;MM165744;C=NOCCC(N)CC;ZCVQPMWMKQYQEY-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165745;MM165745;C=NOCCC(N)CN;CQAUMCLNEXGXDS-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165746;MM165746;C=NOCCC(N)CO;KTRAELOVSABBGU-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165747;MM165747;C=NOCCC(N)CF;GZTKBROEXRRKPQ-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165748;MM165748;C#CC(C)CNC(=O)NN;YUHMFNSZBNEWCQ-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165749;MM165749;C=NOCCC(O)CN;FAHGSBMXBUADLU-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165750;MM165750;C=NOCCC(F)CC;GMAWGILEULYPLG-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165751;MM165751;C=NOCCC(F)CN;NVCAVZVKUNBANC-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165752;MM165752;C=NOCCC(F)CF;FHSKJVMSIQKDLU-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165753;MM165753;C=COCCC(C)NC;IPECTVRAJQBPCU-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165754;MM165754;C=COCCC(C)OC;IDTAXBJMYOMSPU-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165755;MM165755;COC(C)CCOC=O;CYCHJWNSQZCRIA-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165756;MM165756;C=NOCCC(C)OC;UOQLCOCTRGWBFN-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165757;MM165757;C=CCNCC(C)CC;CENKISSIZCJYMS-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165758;MM165758;CCC(C)CNCC=O;KAQJBJPXRSTBLG-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165759;MM165759;CCC(C)CNCC#N;GGWVQQYNQAYRGR-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165760;MM165760;C=CCNCC(C)CN;SLQYAMHNEALUFN-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165761;MM165761;C=CCNCC(C)CF;RKSINSQCNZTSLG-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165762;MM165762;CC(CF)CNCC=O;XGQSDYBLFXNILR-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165763;MM165763;C=CCNCC(N)CN;UTAXCUSSYZZULL-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165764;MM165764;C=CCNCC(N)CO;DQXORJMKRHIYKC-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165765;MM165765;C=CCNCC(N)CF;GAHVWHNGCBHGPO-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165766;MM165766;C=CCNCC(O)CC;STRGNHYCQQCJCL-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165767;MM165767;C=CC(F)C=CC(=O)NN;HBLXTMPMSWTNPU-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165768;MM165768;C=CCNCC(O)CN;FSDZBUHSCAMRIB-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165769;MM165769;C=CCNCC(O)CO;VKKVHMLNLRBECT-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165770;MM165770;C#CC1(C)NC1C(O)C=O;VILHCVFDJPMWLH-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165771;MM165771;C=CCNCC(O)CF;USOJWNJXSKEAHT-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165772;MM165772;CCC(C)=CC(=NO)NC;RBHFVFMFOGUHBX-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165773;MM165773;C=CCNCC(F)CN;VZXIGPVWRRVSMQ-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165774;MM165774;CCC(CO)NNC(C)=O;OULRXBKPMWJEEB-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165775;MM165775;N#CCNCC(F)CF;QEEQEZDFKXMPED-UHFFFAOYSA-N;134.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165776;MM165776;CNC(C)CNCC#N;MFRCMMBQBNAUKA-UHFFFAOYSA-N;127.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165777;MM165777;C=CCNCC(C)OC;FSHDJLLLTLHXGY-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165778;MM165778;CC(CN)CNNC=N;PIEBWUHVCFTGGQ-UHFFFAOYSA-N;130.2;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165779;MM165779;CC(CN)CNNC=O;ORPFTAQOGIPBRK-UHFFFAOYSA-N;131.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165780;MM165780;CC(CO)CNNC=N;BNZQKFORFCNFPW-UHFFFAOYSA-N;131.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165781;MM165781;C#CC1NC1C(C)(O)C#C;JQSISDQKUSYJSU-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165782;MM165782;CCC(N)CNNC=N;WRHHGZKOVCOXNU-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165783;MM165783;CCC(N)CNNC=O;XWSSFABPKBTBFU-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165784;MM165784;N=CNNCC(N)CN;FOKHWIPYHGTQNA-UHFFFAOYSA-N;131.18;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165785;MM165785;NCC(N)CNNC=O;YSWUAZAYMHVFDB-UHFFFAOYSA-N;132.17;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165786;MM165786;N=CNNCC(N)CO;WWJKNGMILBVFDD-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165787;MM165787;NC(CO)CNNC=O;FKRFJMSLKJIOSR-UHFFFAOYSA-N;133.15;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165788;MM165788;N=CNNCC(N)CF;TVTFZQMGKIVYMK-UHFFFAOYSA-N;134.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165789;MM165789;CCC(O)CNNC=N;PQGLQDGTRHOIBS-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165790;MM165790;COCCN(C)C(=O)NN;KPEROQLLSGCKQX-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165791;MM165791;N=CNNCC(O)CN;PDZZZOJNMLNGOJ-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165792;MM165792;NCC(O)CNNC=O;LPZIVVQJOKKDAD-UHFFFAOYSA-N;133.15;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165793;MM165793;C#CC(=C)CCNNC=O;NPMVQGBZEMFHKN-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165794;MM165794;N=CNNCC(O)CF;JFJNJZKSBNJWIS-UHFFFAOYSA-N;135.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165795;MM165795;C#CC1(O)CC1NN=CC;LYKYAKGHHJVMMQ-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165796;MM165796;O=CNNCC(F)CO;KYHYIXSFRBSERG-UHFFFAOYSA-N;136.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165797;MM165797;CNC(C)CNNC=N;XENPQYVZQZSFEH-UHFFFAOYSA-N;130.2;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165798;MM165798;CNC(C)CNNC=O;XRTIMLKMCKIEAL-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165799;MM165799;COC(C)CNNC=N;CGFMLUYKSOPMOJ-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165800;MM165800;CCCN(NC)C(=O)NN;GRLSOBZYSJPIPK-UHFFFAOYSA-N;146.19;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165801;MM165801;C=CCOCC(C)CC;YJHAZQCTMHRFTR-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165802;MM165802;CCC(C)COCC=O;AEKVQDQXYBRGOK-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165803;MM165803;CCC(C)COCC#N;KIANBBNGQHYOGZ-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165804;MM165804;C=CCOCC(C)CN;WVVCDUQTWLONOJ-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165805;MM165805;C=CCOCC(C)CO;WDFIPIGNNPODCM-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165806;MM165806;C=CCOCC(C)CF;XPFOFVGYJPOCPV-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165807;MM165807;CC(CF)COCC#N;CLWYCCBENIEKHO-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165808;MM165808;C=CCOCC(N)CC;VNWYHBJUUQCONI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165809;MM165809;C=CCOCC(N)CN;NJFMQBKMQDVJCN-UHFFFAOYSA-N;130.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165810;MM165810;C=CCOCC(O)CC;MGWNSXLCWPYEHV-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165811;MM165811;O=CCOCC(O)CO;SHOMAWFFMMBJJS-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165812;MM165812;N#CCOCC(O)CO;NXPBAKLBIJYORZ-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165813;MM165813;O=CCOCC(O)CF;BERYKJFJOJNBFL-UHFFFAOYSA-N;136.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165814;MM165814;C=CCOCC(F)CC;YKWAHQFKZAXNDX-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165815;MM165815;C=CCOCC(F)CO;XVXYASVYSMHAJI-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165816;MM165816;O=CCOCC(F)CO;RHPGVJLKNJIYGM-UHFFFAOYSA-N;136.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165817;MM165817;C=CCOCC(F)CF;XOENGIVJZPGIIZ-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165818;MM165818;C=CCOCC(C)OC;YOBITCIOUKNPDI-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165819;MM165819;CCC(C)CONC=N;MZNOWZDPRQKPDJ-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165820;MM165820;CCC(C)CONC=O;NCXDCHWXMXGGFG-UHFFFAOYSA-N;131.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165821;MM165821;CC(CN)CONC=N;RITAJYMWIPHZQA-UHFFFAOYSA-N;131.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165822;MM165822;CC(CN)CONC=O;MUUJTVPUQDIKDE-UHFFFAOYSA-N;132.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165823;MM165823;CC(CO)CONC=N;GTKVBPWWIONFIK-UHFFFAOYSA-N;132.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165824;MM165824;CC(CO)CONC=O;BTLRSSJXTGWOPU-UHFFFAOYSA-N;133.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165825;MM165825;CC(CF)CONC=O;QAZVPHLYZGQRBE-UHFFFAOYSA-N;135.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165826;MM165826;CCC(N)CONC=N;SLDRBKPTCSZNJS-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165827;MM165827;CCC(N)CONC=O;XFEZPPHOBURZTA-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165828;MM165828;NCC(N)CONC=O;MCEHOAZXYOAFFI-UHFFFAOYSA-N;133.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165829;MM165829;NC(CO)CONC=O;JNUOTTOBZVAGDI-UHFFFAOYSA-N;134.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165830;MM165830;CCC(O)CONC=N;NHFVXLAJUAWKNJ-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165831;MM165831;N=CNOCC(O)CN;ZJTWFZVQBMJDHB-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165832;MM165832;NCC(O)CONC=O;LPJNJLFZZCSMDQ-UHFFFAOYSA-N;134.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165833;MM165833;O=CNOCC(O)CO;FVHRCGPRTIGSMC-UHFFFAOYSA-N;135.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165834;MM165834;CCC(F)CONC=N;XKUBPZCGVIXHBX-UHFFFAOYSA-N;134.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165835;MM165835;N=CNOCC(F)CN;JDXHDFMHURNVKQ-UHFFFAOYSA-N;135.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165836;MM165836;N=CNOCC(F)CO;KAXGZJJINHMHHF-UHFFFAOYSA-N;136.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165837;MM165837;CNC(C)CONC=N;GKKLTIJKWYAKAF-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165838;MM165838;COC(C)CONC=O;WFGRPLDAVSOLEW-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165839;MM165839;C=CCCNC(C)CC;DGRQHEDKFRGWQH-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165840;MM165840;CCC(C)NCCC=O;LWHBTRCSXIIPCK-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165841;MM165841;C=CCCNC(C)CF;NQKRTSGJKNSZKP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165842;MM165842;CC(CF)NCCC=O;DBZKGKMPUOTDQH-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165843;MM165843;C=CCCOC(C)CC;XNVZRQPIRCEGHE-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165844;MM165844;CCC(C)OCCC=O;JQNVNXIYALHFDA-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165845;MM165845;CCC(C)OCCC#N;AMSVFGWEOXWKDO-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165846;MM165846;C=CCCOC(C)CN;GXJIHBJAMPLQHU-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165847;MM165847;C=CCCOC(C)CO;GHDQVRWURCIRRJ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165848;MM165848;CC(CO)OCCC=O;HLJHMGIIEBOYLC-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165849;MM165849;C=COCOC(C)CC;QZWMQDOOWKXKET-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165850;MM165850;C=COCOC(C)CN;QQIVPNACSGZKTI-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165851;MM165851;CC(CO)OCOC=O;CLXOONQZJZBCPV-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165852;MM165852;C=COCOC(C)CF;IKXUEIYIMXOLCJ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165853;MM165853;C=NOCOC(C)CC;UVHGSLDFGAXAHW-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165854;MM165854;COC(C)OCOC=O;IFQSLTBDXHNYLQ-UHFFFAOYSA-N;134.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165855;MM165855;C=NOCOC(C)OC;HOHCYKHEPWXGSG-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165856;MM165856;C=CCCCN(C)CC;CMHDSCIXLRPEMA-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165857;MM165857;CCN(C)CCCC=O;XSDJWGZGYVEEGY-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165858;MM165858;CCN(C)CCNC=N;SBFRGRWQBBKEPB-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165859;MM165859;CCN(C)CCNC=O;FBHVWRLQEBNMEV-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165860;MM165860;C=COCCN(C)CC;DFPLLFQUKZLVRO-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165861;MM165861;C#CCCCC(C)CC;CAIAEGLGNFRREJ-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165862;MM165862;C#CCCCC(C)CN;JGBRJZLMRLPTLA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165863;MM165863;CCNN(CC)C(=O)NN;BXTOARVXODFAFP-UHFFFAOYSA-N;146.19;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165864;MM165864;C#CCCCC(C)CF;QGMSVPQSJNCVEQ-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165865;MM165865;C#CCCCC(N)CC;VKXZZJJQWOILLK-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165866;MM165866;C#CCCCC(N)CO;GAYSPNLAAPFBBW-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165867;MM165867;C#CCCCC(N)CF;LQAIPBHGRXLKTI-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165868;MM165868;C#CCC(=CN)C(=O)NN;WCLOIHGNFIRJHG-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165869;MM165869;C#CCCCC(O)CF;QTVFBJGUYRHKLY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165870;MM165870;C#CCCCC(F)CC;SAOIEXYEPCVJOW-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165871;MM165871;C#CCCCC(F)CN;JJBVDMXBDWZRCE-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165872;MM165872;C#CCCCC(F)CO;IFOKCEVGKPAOTG-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165873;MM165873;C#CCCCC(F)CF;OGLAEQHPRNFLBD-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165874;MM165874;C#CCCCC(C)NC;AZGJIMNSFMMUPN-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165875;MM165875;C#CCCCC(C)OC;WEMPKXVHGRJNBH-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165876;MM165876;C#CCNCC(C)CC;WLBXFKGKIYXFSX-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165877;MM165877;C#CCNCC(C)CN;DOGQLZZCCPMXGG-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165878;MM165878;C#CCNCC(N)CN;WVWSYKDORZMOCT-UHFFFAOYSA-N;127.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165879;MM165879;C#CCNCC(N)CO;OMQXJBQWEHNYMG-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165880;MM165880;C#CCNCC(N)CF;WBPZXEOXLTXKMV-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165881;MM165881;C#CCNCC(O)CN;VGHBQEZIJCNPAR-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165882;MM165882;C#CCNCC(F)CN;UNWXZPGJRNPVQZ-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165883;MM165883;C#CCNCC(C)NC;NGITZEXEAUIBCE-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165884;MM165884;C#CCOCC(C)CC;YNNHOWUCEVPFHY-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165885;MM165885;C#CCOCC(C)CO;CGFHBISMCQWVSX-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165886;MM165886;C#CCOCC(C)CF;BFQJKGQVFHMBCH-UHFFFAOYSA-N;130.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165887;MM165887;C#CCOCC(N)CC;QNEWQENEHCYXEI-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165888;MM165888;C#CCOCC(N)CN;IYYXZDPIDYZWDX-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165889;MM165889;C#CCOCC(N)CO;OORYZQGIBKAMPQ-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165890;MM165890;C#CCOCC(N)CF;IXLABRHBRSXJLP-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165891;MM165891;C#CCOCC(O)CC;JINFXKPVMSDNDW-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165892;MM165892;C#CCOCC(O)CN;WZHOPNGFQXIKRI-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165893;MM165893;C#CCOCC(O)CO;WZGADLPIFFITSG-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165894;MM165894;C#CCOCC(O)CF;YUJBZFHGJCEUKY-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165895;MM165895;C#CCOCC(F)CN;FUUUFZLZPYFXND-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165896;MM165896;C#CCOCC(F)CO;YDMJSJCDIHIKLQ-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165897;MM165897;C#CCOCC(F)CF;NLBIXZPMBPLPPV-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165898;MM165898;C#CCOCC(C)OC;FOOLPOSGSVMBIZ-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165899;MM165899;C#CCCNC(C)CC;PAPVVLDGMBQSOT-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165900;MM165900;C#CCCNC(C)CN;FPNFVDYXRPZRSU-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165901;MM165901;C#CCCNC(C)CF;PYRZROJCTGWXKE-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165902;MM165902;C#CCCOC(C)CC;JSJZPXJJXMOTCZ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165903;MM165903;C#CCCOC(C)CO;KZTBAZQTRHBKNV-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165904;MM165904;C#CCCOC(C)CF;UQXQFKDQXLLSRM-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165905;MM165905;C#CCCOC(C)OC;AFVQHMGBGQGCAD-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165906;MM165906;C#CCCCN(C)CC;MVRHAJGDDIWZAK-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165907;MM165907;C=CC(C)CCCCC;GLUPFQMLFXGTNL-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165908;MM165908;C=CC(C)CCCCN;DVCODSIFHYHQMC-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165909;MM165909;C=CC1(C(=O)NNC)CC1;BODNJDDEAOQJLA-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165910;MM165910;C=CC(C)CCCCF;BLWOJUJMNVNKKH-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165911;MM165911;CCCCCC(C)C=O;DHEKCFIOOSCJRW-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165912;MM165912;CCCCCC(C)C#N;DPGVNSDPGIWYQK-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165913;MM165913;CC=C1CCN(N)C(=O)N1;TWOPBHRLKSYKCN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165914;MM165914;CC1Nc2cn(N)c(F)c21;WRDMUWGQKZJBRI-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165915;MM165915;CC(C=O)CCCCF;KLPGKHFAERVIOA-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165916;MM165916;CC(C#N)CCCCF;XPVSILSHMXWIQE-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165917;MM165917;C=CC(N)CCCCC;RJWDQEOJSUBQLJ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165918;MM165918;C=CC(N)CCCCF;MZNNZPJXCIHLAC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165919;MM165919;OCC1=NN=C(NO)NN1;RBTZHNPKZIHBQQ-UHFFFAOYSA-N;145.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165920;MM165920;CCCCCC(O)C=O;CWBPXSZASLMQHN-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165921;MM165921;CCCCCC(O)C#N;JEWPACUDYNBTSN-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165922;MM165922;O=CC(O)CCCCO;YDTMOWJNEHSIOM-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165923;MM165923;C=CC(F)CCCCC;JDAOXJSNUDEPNU-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165924;MM165924;C#CCCC(=O)NN;IAPJUTZTTQKWGR-UHFFFAOYSA-N;112.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165925;MM165925;CCCCCC(F)C=O;NLUYELGXACNDKZ-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165926;MM165926;CCCCCC(F)C#N;QRMMRTKXGFDVSR-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165927;MM165927;CC(=O)NNC1CC1;IRIXIGUZOLZPJZ-UHFFFAOYSA-N;114.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165928;MM165928;O=CC(F)CCCCF;QNXHLFXSLRTBBE-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165929;MM165929;N#CC(F)CCCCF;MRYXCJBTKHNHIG-UHFFFAOYSA-N;133.14;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165930;MM165930;C=CC(C)CCCNC;IBHDGJQZPVZHGH-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165931;MM165931;CNCCCC(C)C=O;CLMIYONKZKORIP-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165932;MM165932;CNCCCC(C)C#N;BAOLUVASXDENJD-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165933;MM165933;C=CC(N)CCCNC;UNVDZVSMFFMMIV-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165934;MM165934;C=CC(F)CCCNC;IHNXGTSJSIHRIO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165935;MM165935;COCCCC(C)C=O;CEPVNYWRGDLGEX-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165936;MM165936;COCCCC(C)C#N;VOCHAWWSPVYNAH-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165937;MM165937;C=CC(O)CCCOC;NQAFUPJZHFBGGD-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165938;MM165938;COCCCC(O)C=O;QCMKKVHVEOWWGY-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165939;MM165939;COCCCC(O)C#N;PBDVLSKTZBHVOC-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165940;MM165940;C=CC(F)CCCOC;CSCKCAPXPVEQAJ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165941;MM165941;C=CC(C)CCNCC;TXNLEPBIDCBOAG-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165942;MM165942;CCNCCC(C)C=O;FAHKSNFRTIPNMD-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165943;MM165943;CCNCCC(C)C#N;DLKOAXQMTDQIDD-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165944;MM165944;CCNCCC(O)C#N;DOTMLNSLLFDIQI-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165945;MM165945;C=CC(F)CCNCC;RCPRHSBPDXHQPO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165946;MM165946;C=CC(C)CCOCC;DEORUXKBRDQQNG-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165947;MM165947;CCOCCC(C)C=O;AEJNLLWIQQCTFB-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165948;MM165948;CCOCCC(C)C#N;UQPWEUICSYQKOS-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165949;MM165949;C=CC(N)CCOCC;DKVPVFHSBPVLNC-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165950;MM165950;C=CC(O)CCOCC;CEQSNHVXXIGNDZ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165951;MM165951;CCOCCC(O)C=O;IBIOALFKTRBADI-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165952;MM165952;C=CC(F)CCOCC;WPOYTCPGWPIYBB-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165953;MM165953;CCOCCC(F)C=O;JUHLSUQFUXYPQQ-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165954;MM165954;CCOCCC(F)C#N;OSZNNKKGQMNCBG-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165955;MM165955;C=CC(C)CNCCC;OXSISQUGMJHCIJ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165956;MM165956;C=CC(C)CNCCO;OPKMBRSSRZBIOU-UHFFFAOYSA-N;129.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165957;MM165957;C=CC(C)CNCCF;KULDWWAKAGZPKG-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165958;MM165958;CCCNCC(C)C=O;IMBJQMGVXXFGCU-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165959;MM165959;CC(C=O)CNCCO;XZYXAQMVASCURI-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165960;MM165960;C=CC(N)CNCCN;RJSBRJZGPUBSAU-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165961;MM165961;C=CC(N)CNCCO;LEJLQLKBJDOIQE-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165962;MM165962;C=CC(O)CNCCC;QDHFAWDLQLVTOC-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165963;MM165963;C=CC(O)CNCCN;DKCXSDUGABSSJB-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165964;MM165964;C=CC(O)CNCCO;DEZMXEGOJQEVHQ-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165965;MM165965;CCCNCC(O)C=O;DXUNRRBUZCKLPI-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165966;MM165966;O=CC(O)CNCCO;IGQRCNKKLSTBMG-UHFFFAOYSA-N;133.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165967;MM165967;N=C1COC(=N)N1O;BSJQVIWIVXESAX-UHFFFAOYSA-N;115.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165968;MM165968;C=CC(F)CNCCC;KZFLMYQUJHMDEE-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165969;MM165969;N#CC(F)CNCCF;RWPWXGSUDCNUHL-UHFFFAOYSA-N;134.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165970;MM165970;C=CC(C)COCCC;KZNMRVNAKYMRBZ-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165971;MM165971;C=CC(C)COCCN;JGVRFWMMKMWEJC-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165972;MM165972;C=CC(C)COCCO;KYZGEHPFAXAWPY-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165973;MM165973;C=CC(C)COCCF;JSVSXAUXRNXTPS-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165974;MM165974;CCCOCC(C)C=O;ZRDIMNYRLZOEDU-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165975;MM165975;CCCOCC(C)C#N;JFTWCARPNPYVGX-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165976;MM165976;CC(C#N)COCCF;ZTKDHERZPTVQLN-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165977;MM165977;C=CC(N)COCCN;FMPJBWFVCMFMHF-UHFFFAOYSA-N;130.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165978;MM165978;C=CC(N)COCCO;DLQHNOXBZSUDEJ-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165979;MM165979;C=CC(O)COCCC;QVQRHCINVWQMIF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165980;MM165980;C=CC(O)COCCN;AWTSRVOVDGGXJB-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165981;MM165981;C=CC(O)COCCO;CMTIUBRAGNDCRZ-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165982;MM165982;CCCOCC(O)C=O;CVDSVJOKNIARNG-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165983;MM165983;O=CC(O)COCCO;BCGXFUGMHWYRPX-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165984;MM165984;N#CC(O)COCCF;LLXOGBZTAGAGAD-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165985;MM165985;C=CC(F)COCCC;YNIWKNWLEMOLLN-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165986;MM165986;C=CC(F)COCCN;DUMIVMBVHUUNJK-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165987;MM165987;C=CC(F)COCCO;BFCZTQOAHAUQLO-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165988;MM165988;C=CC(F)COCCF;ILARPRIPSOWHLE-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165989;MM165989;CCCOCC(F)C#N;XDJRSLWUSBDTJZ-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165990;MM165990;O=CC(F)COCCO;VPZDGGYVTRMCTG-UHFFFAOYSA-N;136.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165991;MM165991;C=CC(N)COCOC;GVWAFUMKRKOAEO-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165992;MM165992;C=CC(O)COCOC;VCKXGYAHHYAVSB-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165993;MM165993;COCOCC(O)C=O;HERBFTKFTFFNCL-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165994;MM165994;COCOCC(F)C#N;LHAADVHYYDZWQD-UHFFFAOYSA-N;133.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165995;MM165995;C=CC(C)NCCCC;JXNQDLWYLMZBNX-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165996;MM165996;C=CC(C)NCCCO;TZLFMXQYQINFBA-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165997;MM165997;C=CC(C)NCCCF;FRMIZVXSIKBMSZ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165998;MM165998;CCCCNC(C)C=O;BOKKBJQMTQNDCT-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM165999;MM165999;CCCCNC(C)C#N;CTSQFHPACNZECX-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166000;MM166000;C=NOC1C(O)C1F;SQUFHGUTFQXUDW-UHFFFAOYSA-N;119.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166001;MM166001;CNCCNC(C)C#N;NYSXQSDZOUSMHV-UHFFFAOYSA-N;127.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166002;MM166002;C=CC(C)NCCOC;NBDLKVIMIUVLTD-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166003;MM166003;C=CC(C)OCCCC;CQJQTXVQMQMNBT-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166004;MM166004;C=CC(C)OCCCO;ZJABWLDBIUVHMQ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166005;MM166005;CCCCOC(C)C=O;KVOZLNOIKRDMLN-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166006;MM166006;CCCCOC(C)C#N;CKBRCGMEHIWIQM-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166007;MM166007;CC(C=O)OCCCO;XGBABPLQIQIRIR-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166008;MM166008;CC(C#N)OCCCF;JZHQGTAQAUWXKG-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166009;MM166009;CNCCOC(C)C=O;ZOXSBLDXEIEWDU-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166010;MM166010;C=CC(C)OCCOC;QFJDFAIZIVCDJT-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166011;MM166011;C=CC(C)OCOCC;XEWCTGOYIWLZKJ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166012;MM166012;CCOCOC(C)C=O;WJWGHXPMJPSHSX-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166013;MM166013;CCOCOC(C)C#N;UFQHZHVEVUQFAM-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166014;MM166014;CCCCCN(C)C=N;PQYYSOSEUFDSJB-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166015;MM166015;CN(C=N)CCCCO;MFJFCMRLHHUPLP-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166016;MM166016;CN(C=N)CCCCF;RKBVEZYNDGSYFO-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166017;MM166017;CCCCCN(C)C=O;CRWBMVXYQYUQIG-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166018;MM166018;CN(NC=O)C1CC1;AUPUFVTXUDEFDK-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166019;MM166019;CN(C=O)CCCCF;YUAWWRJGPBFJAR-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166020;MM166020;CCCCCN(N)C=N;XBXLJRNZIVUVPR-UHFFFAOYSA-N;129.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166021;MM166021;N=CN(N)CCCCO;SENZXAKYYGSZNG-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166022;MM166022;CCCCCN(N)C=O;MMDILSLYZPXMDR-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166023;MM166023;CNNC(=O)C1CC1;XBQFNMGWVKQHLB-UHFFFAOYSA-N;114.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166024;MM166024;CCCCCN(O)C=N;SBURSSQACKYPEZ-UHFFFAOYSA-N;130.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166025;MM166025;NCCCCN(O)C=O;XSVLOPQQOJQUST-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166026;MM166026;O=CN(O)CCCCO;HAEMICIQSCVEMG-UHFFFAOYSA-N;133.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166027;MM166027;CNCCCN(N)C=N;UDQSZIRAXQEPTR-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166028;MM166028;COCCCN(C)C=O;HWGQIBWEHUJXEM-UHFFFAOYSA-N;131.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166029;MM166029;COCCCN(O)C=O;XHHLLOQYVNWGJT-UHFFFAOYSA-N;133.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166030;MM166030;C=NN(C)CCCCC;YKNWKLQMWGGWNI-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166031;MM166031;C=NN(C)CCCCN;GRCWJKDMHWGGEH-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166032;MM166032;CCCN(C)NC(N)=O;VLNFFYHKZZBGHY-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166033;MM166033;C=NN(C)CCCCF;HSCPFMKCUARSPI-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166034;MM166034;CCNCCN(C)C=O;NJKOQHQBHVETMO-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166035;MM166035;CCNCCN(N)C=N;USRAWWVEDICYKY-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166036;MM166036;CCNCCN(N)C=O;RMXHMBGYCFJJOP-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166037;MM166037;CCNCCN(O)C=N;HUAVQYOWAFFQLI-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166038;MM166038;CCOCCN(N)C=N;XAFSAFXTQQLWLA-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166039;MM166039;CN(C=N)NCCCN;IPLUEJNYIOCDER-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166040;MM166040;CN(C=O)NCCCN;MKTQJIKUIISWPE-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166041;MM166041;NNC(=O)C=C(N)CO;VXGNGXZDQRSDOX-UHFFFAOYSA-N;131.14;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166042;MM166042;CNCCNN(C)C=N;LKZGJAVTKILAHQ-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166043;MM166043;CNCCNN(C)C=O;QPDLWNJQCZHMKX-UHFFFAOYSA-N;131.18;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166044;MM166044;COCCNN(C)C=N;SJQUHFDOLCXAHV-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166045;MM166045;COCCNN(C)C=O;HVJPFRGAXLMWRZ-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166046;MM166046;CN(C=N)OCCCN;QHFCXOYGZKLHNO-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166047;MM166047;CN(C=N)OCCCF;NVSYBLYYXUAXNU-UHFFFAOYSA-N;134.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166048;MM166048;CCCCON(C)C=O;FKELAFVSHUDDLW-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166049;MM166049;CN(C=O)OCCCN;BATZIXSKIHGXCL-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166050;MM166050;CN(C=O)OCCCO;PZDQACAQPDTXKR-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166051;MM166051;CN(C=O)OCCCF;KFHLXIQTVWBTJF-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166052;MM166052;CNCCON(C)C=O;IJAYMWAOKCEAOO-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166053;MM166053;CCOCON(C)C=N;NFEQOPONKLNNBY-UHFFFAOYSA-N;132.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166054;MM166054;CCOCON(C)C=O;AXJYBLQZLMGKGC-UHFFFAOYSA-N;133.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166055;MM166055;C=CCCCC(C)C=C;LFXNEGVBUADMEB-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166056;MM166056;C=CC(C)CCCC=O;NBNFYQWHSOCEFZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166057;MM166057;C=CC(C)CCCC#N;OGFLHLGQFANZJQ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166058;MM166058;C=CCCCC(C)C=O;OORUMIIDKDTTNO-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166059;MM166059;C=CCCCC(C)C#N;IPMNRFISFJTCBD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166060;MM166060;CC(C=O)CCCC=O;NICDGFIIDLQPAF-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166061;MM166061;CC(C=O)CCCC#N;ZVLMEJKWTMVLGZ-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166062;MM166062;CC(C#N)CCCC=O;XYHDWEKXKUXYJS-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166063;MM166063;CC(C#N)CCCC#N;SBDSWNLTVOAIPQ-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166064;MM166064;C=CCCCC(N)C=C;WJKASMRHFSBYMO-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166065;MM166065;CNNC(=O)C=CCO;SBQWLYPVWXDJEO-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166066;MM166066;C=CCCCC(O)C#N;CTGWCGXUKBDYJJ-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166067;MM166067;N#CCCCC(O)C=O;TUOCFMNJPCHXPI-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166068;MM166068;C=CCCCC(F)C=C;GMLVTMQLXYJKJT-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166069;MM166069;C=CC(F)CCCC#N;XAKYDJXZGHPUTA-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166070;MM166070;C=CCCCC(F)C=O;CHJCGXYLPJFCLA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166071;MM166071;C=CCCCC(F)C#N;YYCTVTGWSIYZHW-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166072;MM166072;N#CC(F)CCCC=O;AULBFTXKKUMUGA-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166073;MM166073;C=CC(C)CCNC=N;XRADCWBFVVNWOM-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166074;MM166074;CC(O)C(=O)ON=CN;GJFNPLPKZCVGKD-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166075;MM166075;C=NOC(C#N)C(N)=O;GMQWZDFNAFQYSM-UHFFFAOYSA-N;127.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166076;MM166076;C=CC(N)CCNC=N;SFORHNWSAGHIQF-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166077;MM166077;C=CC(O)CCNC=N;ONKRRWMPDLZVQE-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166078;MM166078;C=Cc1cnc(O)n1C;VYZKDNNJKQQUQK-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166079;MM166079;N#CC(F)CCNC=N;MFBLRQYNZGZYMI-UHFFFAOYSA-N;129.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166080;MM166080;C=CC(C)CCNN=C;HLVZDNHIWCRJGS-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166081;MM166081;NNC(=NOC=O)NO;GSKDSKSPOLWCNN-UHFFFAOYSA-N;134.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166082;MM166082;C=CC(N)CCNN=C;LJJKPSAVDYXGOF-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166083;MM166083;C#CC1NC1C(O)C=O;CDCUDAMFOUSHTH-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166084;MM166084;C=NN(C)C(=O)CC(N)=O;VSNUQIQZQVEWTK-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166085;MM166085;C=CC(F)CCNN=C;WMFGDOIXPDPFTI-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166086;MM166086;CC(O)C(=O)ON=CNN;SIWGZZOBECLASQ-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166087;MM166087;C=COCCC(C)C=C;PWDMONDZMUKFMW-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166088;MM166088;C=CC(C)CCOC=O;OXQNUORSNJHTDK-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166089;MM166089;C=COCCC(C)C=O;PDMNIIKKSLZGHF-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166090;MM166090;C=COCCC(C)C#N;MIXSZDDWMGHTCK-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166091;MM166091;CC(C#N)CCOC=O;JNDMQAJAWCQHOX-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166092;MM166092;C=COCCC(N)C=C;BGKQPUZRXMUAGF-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166093;MM166093;C=COCCC(O)C=C;TUIGIIDAYJHEQG-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166094;MM166094;C=COCCC(O)C=O;DHPFBPQAGWNDHS-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166095;MM166095;O=COCCC(O)C=O;UBPGMGUVHJELEX-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166096;MM166096;C=COCCC(F)C=C;GAVYEVSERAWBCK-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166097;MM166097;C=CC(F)CCOC=O;VLVAAQBUICVLTP-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166098;MM166098;C=COCCC(F)C=O;AHBUNEVCXRHGGY-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166099;MM166099;C=COCCC(F)C#N;AYYZZRHFOHPKAL-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166100;MM166100;O=COCCC(F)C=O;LOXGVXXFCZLLLH-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166101;MM166101;C=CC(C)CCON=C;OWEVFMCVSYVEPE-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166102;MM166102;CC(O)C(=O)ON=CNO;HPKVJDDPRCCEID-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166103;MM166103;C=NOCCC(C)C#N;QCDJMGFJGRXPFD-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166104;MM166104;Cc1nc(CC#N)cn1C;WKLVCNVPCMAYNN-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166105;MM166105;C=CC(F)CCON=C;SUAWIZRNYSEMBQ-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166106;MM166106;C=CCNCC(C)C=C;YZWLGXBVRPTTPJ-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166107;MM166107;C=CC(C)CNCC#N;KTLRQSPFBQGLOL-UHFFFAOYSA-N;124.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166108;MM166108;C=CC(=O)NNC(C)CO;WBOUKLAQBKVORN-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166109;MM166109;CC(C#N)CNCC#N;ANKYRLFIVWEYSN-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166110;MM166110;C=CCNCC(O)C=C;ZMMLAJFADRIISE-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166111;MM166111;C=CCNCC(O)C=O;YZRVBRBZDVULPP-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166112;MM166112;C=C(C=CC(=O)NN)CF;INWJAAODAXWVPU-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166113;MM166113;O=CN1CC(O)(CF)CN1;QOZBCABFSYWFKQ-UHFFFAOYSA-N;148.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166114;MM166114;C=CC(F)CNCC#N;UKOARJDEZGOCMN-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166115;MM166115;C#CCNC(=O)CNN=C;JRVCDOOVWMLRPS-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166116;MM166116;C#CC=CCCC(=O)NN;VNAJOFQDLYRFCG-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166117;MM166117;CC(C#N)CNNC=N;SXHQOJSQLZRWRA-UHFFFAOYSA-N;126.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166118;MM166118;NNC(=O)C=CC=CCF;IYRLDBSDEIIVCO-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166119;MM166119;CC(C#N)CNNC=O;KZPDPMMYIHQQOU-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166120;MM166120;C=CC(N)CNNC=N;FJYHENURTSXIFQ-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166121;MM166121;C=CC(O)CNNC=N;NIXBPLGFVOMQGS-UHFFFAOYSA-N;129.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166122;MM166122;C#CCC(=NN)C(O)CF;MVTMYWUYQAJWHD-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166123;MM166123;N#CC(O)CNNC=N;UUJQTKXHXIAYRC-UHFFFAOYSA-N;128.14;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166124;MM166124;NN=C(C=CF)C(O)CF;UDNVLCMCECCWIE-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166125;MM166125;N#CC(O)CNNC=O;MGXNXAIYZRITIL-UHFFFAOYSA-N;129.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166126;MM166126;C=CC(F)CNNC=N;MWMNBSIDZFUKFF-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166127;MM166127;CCN(CCOC)NC=O;XGJOFSWFVQNNAW-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166128;MM166128;N=CNNCC(F)C=O;XMGLKQRDZFPXLX-UHFFFAOYSA-N;133.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166129;MM166129;N#CC(F)CNNC=O;CWMMDQDXBKPUIR-UHFFFAOYSA-N;131.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166130;MM166130;C=CCOCC(C)C=C;WPDLLJKIFIKXKB-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166131;MM166131;C=CC(C)COCC#N;ZKAFOOUTWCEOHV-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166132;MM166132;C=CCOCC(C)C=O;NJIRJEHHRLQYRD-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166133;MM166133;C=CCOCC(C)C#N;RVTFNIDMZDXBNA-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166134;MM166134;C=CCOCC(N)C=C;ILJTZLFBLUUMIY-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166135;MM166135;C=CCOCC(O)C=O;ZEBHGDCAHDLGPN-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166136;MM166136;O=CCOCC(O)C=O;YYIZINKGIOKHSI-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166137;MM166137;N#CCOCC(O)C=O;WIIVANCIIAUJKM-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166138;MM166138;N#CC(O)COCC=O;ONAQLPSHDVGIAC-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166139;MM166139;C=CCOCC(F)C=C;OAFAMWCZNFLDAH-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166140;MM166140;C=CCOCC(F)C#N;NAHKLPQBEUHGIX-UHFFFAOYSA-N;129.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166141;MM166141;C=CC(C)CONC=N;IAYKVUYTYFXJJF-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166142;MM166142;C=CC(C)CONC=O;BCNFRPUIIOJWNM-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166143;MM166143;CC(C=O)CONC=O;INCOXFZORJPPHN-UHFFFAOYSA-N;131.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166144;MM166144;C=CC(N)CONC=O;XUVRSQIZTCIXFH-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166145;MM166145;C=CC(O)CONC=O;MMVKJHQMHXFPSW-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166146;MM166146;N#CC(O)CONC=N;VWEJAKWHSLCEED-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166147;MM166147;N#CC(O)CONC=O;GLMRLZNDSZUNIO-UHFFFAOYSA-N;130.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166148;MM166148;O=CNOCC(F)C=O;DGZISAONWISAOK-UHFFFAOYSA-N;135.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166149;MM166149;C=CCCNC(C)C=C;QHZBXDXHYNBLSP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166150;MM166150;CCC(CC=O)NNC=O;WPKUZVUAQLWNOJ-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166151;MM166151;CC(C#N)NCCC#N;FKOZHBAYJMPGQC-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166152;MM166152;C=CCCOC(C)C=C;IZILTBFJGHIXND-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166153;MM166153;C=CC(C)OCCC#N;DOWKQJGXWXJSNO-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166154;MM166154;C=CCCOC(C)C=O;YYYJCBMPYSSMMK-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166155;MM166155;C=CCCOC(C)C#N;NODAYRNPZIGWQP-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166156;MM166156;CC(C#N)OCCC=O;IGXGQSQEQKZOEY-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166157;MM166157;C=COCOC(C)C=C;JWZROLRXBPFRDV-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166158;MM166158;CON=C(NO)NNC=O;WVINDIJBVQFNNL-UHFFFAOYSA-N;148.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166159;MM166159;C=CCCCN(C)C=N;APBDHZNZKLIPSD-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166160;MM166160;C=CCCCN(C)C=O;YHTNFYFSSLRJKV-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166161;MM166161;CN(O)C(=NN)C(O)CO;DLLBZAPKAZTJFM-UHFFFAOYSA-N;149.15;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166162;MM166162;C=CCCCN(N)C=O;NCZLMPLWUDHKAU-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166163;MM166163;N=CN(O)CCCC=O;YTGQPRMMJLTNAT-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166164;MM166164;O=CCCCN(O)C=O;YPZPDQPRKLXPPT-UHFFFAOYSA-N;131.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166165;MM166165;C=CCCCN(C)N=C;ZFXACMLDUWCNRU-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166166;MM166166;CCc1cc(CC#N)[nH]n1;FJXMWENSVYKEQN-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166167;MM166167;CN(C=N)CCNC=O;YWBZGKYSAZNDPV-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166168;MM166168;CN(C=O)CCNC=N;QXMXJHAGRGCGTI-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166169;MM166169;C#CC=CCCNNC=O;DJSSELARPCSRSQ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166170;MM166170;N=CN(N)CCNC=O;YVQBAYNWWTXXOJ-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166171;MM166171;N=CNCCN(O)C=N;SQNWFMXTGZVHIW-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166172;MM166172;C=NNCCN(C)C=O;QGBYUMOAVKLWKA-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166173;MM166173;C=NNCCN(N)C=N;VFYZRYLWXMRNMD-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166174;MM166174;C=NNCCN(N)C=O;ZOLYEICDHKNTPW-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166175;MM166175;C=COCCN(C)C=O;PJXKEBWKBZCNKV-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166176;MM166176;CN(C=O)CCOC=O;BHTMTIZQJQJLOY-UHFFFAOYSA-N;131.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166177;MM166177;C=COCCN(N)C=N;FSPKERXSEHWFCA-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166178;MM166178;C=COCCN(N)C=O;JKNPNDXBRYSRMR-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166179;MM166179;C=COCCN(C)N=C;TWJVDBDBICUATF-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166180;MM166180;C=NN(C)CCOC=O;LXUBXWOOUOPOIV-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166181;MM166181;N=c1nnon1O;WPEADDJEGUJXDQ-UHFFFAOYSA-N;102.05;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166182;MM166182;CN(C=O)OCCC=O;BSOHLFOYFVXMEV-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166183;MM166183;C=COCON(C)C=N;ZCHIHBWAAKKFSM-UHFFFAOYSA-N;130.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166184;MM166184;CN(C=N)OCOC=O;AQSRRQBCKBTAIQ-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166185;MM166185;CN(C=O)OCOC=O;CRSOSFZKAJAIFP-UHFFFAOYSA-N;133.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166186;MM166186;C=NOCON(C)C=N;TWRVBIVGUJGUQQ-UHFFFAOYSA-N;131.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166187;MM166187;C=NOCON(C)C=O;LXRAWLQKDPSAHW-UHFFFAOYSA-N;132.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166188;MM166188;C#CCCCC(C)C=C;LMVZNXYXSSSJCJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166189;MM166189;C#CCCCC(C)C=O;ZQEIPLBEQCCQAZ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166190;MM166190;C#CCCCC(C)C#N;FSFLIGBVQSTZGE-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166191;MM166191;C#CCCCC(N)C=C;RHLYDJFDQOYJJP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166192;MM166192;Cc1cn(C)c(O)n1;HMNBBWXXNYVGPS-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166193;MM166193;C#CCCCC(O)C#N;QEXOOTQDGGLSDJ-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166194;MM166194;C#CCCCC(F)C=C;YGVSBGHVIWWVID-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166195;MM166195;C#CCCCC(F)C=O;WKULPAUGHTUONE-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166196;MM166196;C#CCCCC(F)C#N;SZNSHSOMIDBGGS-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166197;MM166197;C#CCNCC(C)C=C;ASAVLPGZAHQGHO-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166198;MM166198;C#CCNCC(O)C=C;MDXHPHXUMGDJAS-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166199;MM166199;C=CN(C)C(=O)NN;YCBCJHREPSHEPD-UHFFFAOYSA-N;115.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166200;MM166200;C#CCNCC(F)C#N;CUJKJQMQUBSKGX-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166201;MM166201;C#CCOCC(C)C=C;ZLDDTPLXXITJFO-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166202;MM166202;C#CCOCC(C)C=O;HBXORPQKYUGQPT-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166203;MM166203;C#CCOCC(O)C=O;MMHKHKXYQFJLOU-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166204;MM166204;C#CCOCC(F)C=C;NQQPZYWHYVWVRQ-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166205;MM166205;C#CCCNC(C)C=C;OZGQGRUNQDTHGO-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166206;MM166206;C#CCCOC(C)C=C;YAVDWJRXJSJIEC-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166207;MM166207;C#CCCOC(C)C=O;AHQVEXWIMJTQOV-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166208;MM166208;C#CCCOC(C)C#N;SGHSAOWCAIADNS-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166209;MM166209;C#CCCCN(C)C=N;YGIDAELDCUJELJ-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166210;MM166210;C#CCCCN(C)C=O;PNYMQMZWIYDIHA-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166211;MM166211;C#CCCCN(N)C=N;FFIQDBDCHCYIDH-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166212;MM166212;C#CCCCN(C)N=C;TTYTWEOVSSLNPA-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166213;MM166213;C#CCCNN(C)C=N;IQTOYGYPNKXGCN-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166214;MM166214;C#CCCNN(C)C=O;AVTIHCWYHJFTHN-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166215;MM166215;C#CCCON(C)C=O;OAVGLYYYTUGQEN-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166216;MM166216;C#CC(C)CCCCC;KLYYIIUTZRLMQU-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166217;MM166217;C#CC(C)CCCCN;KDYHUHNGVXAJNT-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166218;MM166218;N=CN1CC(O)C1=O;OHSOFMXZEAWYDG-UHFFFAOYSA-N;114.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166219;MM166219;C#CC(C)CCCCF;HEXIKPLFWIOJQI-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166220;MM166220;C#CC(N)CCCCC;MSWDHDLLRGDNJR-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166221;MM166221;C#CC(N)CCCCO;ALTJNCPJIWOQGN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166222;MM166222;C#CC(N)CCCCF;RSZXWCSQIOMNJR-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166223;MM166223;C#CC(O)CCCCC;VUGRNZHKYVHZSN-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166224;MM166224;C#CC(O)CCCCF;VHSPCDHELHXDTN-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166225;MM166225;C#CC(F)CCCCC;GEDZPMKVNBHBNZ-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166226;MM166226;CC1(C)CN1C(=O)NN;NGIOTBMDRQTKFQ-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166227;MM166227;C#CC(C)CCCNC;FEKCYEBMDPHRFS-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166228;MM166228;C#CC(O)CCCNC;QPTPKZRBCCRYIO-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166229;MM166229;C#CC(C)CCCOC;ALJUJZFPWNXNJB-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166230;MM166230;C#CC(F)CCCOC;ZSKBXWHEJZAOOP-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166231;MM166231;C#CC(C)CCNCC;IOUFXCFMVFDGMI-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166232;MM166232;C#CC(N)CCNCC;JGHJDAALUHZXDH-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166233;MM166233;C#CC(O)CCNCC;OGKMRAPXXUQZTD-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166234;MM166234;C#CC(F)CCNCC;CPOZIYYGPMYJOG-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166235;MM166235;C#CC(C)CCOCC;YSOQYWQQDMVHSH-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166236;MM166236;C#CC(N)CCOCC;MCFKJJXUDMHDCG-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166237;MM166237;C#CC(O)CCOCC;LUOREANLUMYUPV-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166238;MM166238;C#CC(F)CCOCC;BNPQJXNNFJODRJ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166239;MM166239;C#CC(C)CNCCC;HMVSEXMVUUPSTG-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166240;MM166240;C#CC(C)CNCCN;MFDIXWKPGRFSAM-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166241;MM166241;C#CC(C)CNCCF;IGUXUYNFFHWJGA-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166242;MM166242;C#CC(N)CNCCC;NZWFIXXXAZVPLP-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166243;MM166243;C#CC(N)CNCCN;IGVPTKLGRLEKFS-UHFFFAOYSA-N;127.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166244;MM166244;C#CC(N)CNCCO;CYNFRLVDXUICBH-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166245;MM166245;C#CC(N)CNCCF;IPDWZMQAGOPIQD-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166246;MM166246;C#CC(O)CNCCN;MUIKTFYTNXTBMD-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166247;MM166247;C#CC(O)CNCCO;UIEBBCZRGGZBFL-UHFFFAOYSA-N;129.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166248;MM166248;C#CC(F)CNCCC;ISIQWILHIHQBQO-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166249;MM166249;C#CC(F)CNCCN;FWVAOSUUBYGSME-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166250;MM166250;C#CC(C)COCCC;YWCFMOYQUNWNRA-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166251;MM166251;C#CC(C)COCCO;YBCRRHXJLGYNLC-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166252;MM166252;C#CC(C)COCCF;GSWWTPLTNVTWKT-UHFFFAOYSA-N;130.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166253;MM166253;C#CC(N)COCCC;AAENPHKFBMQFPB-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166254;MM166254;C#CC(N)COCCN;FKCKSTWYZWCXMV-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166255;MM166255;C#CC(N)COCCO;ITEMZEBSQOGHFO-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166256;MM166256;C#CC(O)COCCC;OFFKMZMCPXHVJE-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166257;MM166257;C#CC(O)COCCN;PAQNHYQMOZRUAG-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166258;MM166258;C#CC(O)COCCO;HNFDSLLJXSHNCE-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166259;MM166259;C#CC(F)COCCC;BKIISMLFLWWYAG-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166260;MM166260;C#CC(F)COCCN;GJTWYDAEGUGLQJ-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166261;MM166261;C#CC(F)COCCO;HLNSVDRJSZITOQ-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166262;MM166262;C#CC(C)COCOC;RIUYVPDSALLLDZ-UHFFFAOYSA-N;128.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166263;MM166263;C#CC(N)COCOC;PCILHMNWKSFSTN-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166264;MM166264;C#CC(C)NCCCC;KDSAVXVFCNHJEB-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166265;MM166265;C#CC(C)NCCCN;MGACLPPZUUBFNE-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166266;MM166266;C#CC(C)NCCCO;MEVYKYLFQGGMKO-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166267;MM166267;C#CC(C)NCCNC;DGPQTCICVMRTTD-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166268;MM166268;C#CC(C)OCCCC;JBJJUPOMXPRKKY-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166269;MM166269;C#CC(C)OCCNC;WGKGYHBJLJHHMK-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166270;MM166270;C#CC(C)OCCOC;VGZOKAZZJXOQNJ-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166271;MM166271;C#CC(C)OCOCC;TZJWYBFLNLYHHU-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166272;MM166272;C#CC(C)CCCC=C;UUWHZEYJCRHLBY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166273;MM166273;C#CC(C)CCCC=O;UGFPPVRUWHJTHO-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166274;MM166274;C#CC(C)CCCC#N;OZSLHYXFXXHCMY-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166275;MM166275;C#CC(N)CCCC=C;SZVMYXXIORFYFA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166276;MM166276;C#CC(O)CCCC=C;HAGDUNIMPOUPLA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166277;MM166277;C#CC(O)CCCC=O;FAGCUBOBSKCKBN-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166278;MM166278;C#CC(F)CCCC=C;UFANWAIHJSORJR-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166279;MM166279;C#CC(F)CCCC#N;YUPCDVPWXKFNOB-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166280;MM166280;C#CC(C)CCNC=N;AAEVCWBNYZPTHG-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166281;MM166281;C=NN=C(NC)NN=C;OIDAYCKAQAPNMC-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166282;MM166282;C#CC(F)CCNC=N;VZMCRLKKFRWTGF-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166283;MM166283;C#CC(F)CCNC=O;FNMMWEMJWMUNBR-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166284;MM166284;C#CC(C)CCNN=C;GZTIYVZEQVOEMN-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166285;MM166285;CC1CN1CC(=O)NN;VVMZFCIALRMOCI-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166286;MM166286;C#CC(F)CCNN=C;QMRUHZLLYMRVSL-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166287;MM166287;C#CC(C)CCOC=C;FWGSFXVUMXURDA-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166288;MM166288;C#CC(C)CCOC=O;FKNWYXLVYNMMAB-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166289;MM166289;C#CC(N)CCOC=O;YCJGVTUBTHKWTN-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166290;MM166290;C#CC(O)CCOC=C;IGKBCQJPOUETBW-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166291;MM166291;C#CC(O)CCOC=O;IUAYCCCURWQJBQ-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166292;MM166292;C#CC(C)CCON=C;DBKOCYVDWMOOBK-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166293;MM166293;C#CC1C=CC(=N)N1O;LBTANQJKPQWDRQ-UHFFFAOYSA-N;122.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166294;MM166294;C#CC(F)CCON=C;QQHDNBNBBCDQFW-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166295;MM166295;C#CC(N)CNCC=C;SMEXUWUJEWEEGW-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166296;MM166296;C#CC(O)CNCC=C;XHMJOZCVEFCSBZ-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166297;MM166297;CNc1nnn(C=N)n1;HYJIJEKHQBCGKH-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166298;MM166298;C#CC(F)CNCC#N;KILFGHKVYZOQGV-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166299;MM166299;C#CC(N)CNNC=N;JDNWVBQMWSJQMP-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166300;MM166300;C=Cc1c[nH]c(CO)n1;UFQPLLYVBQPTBY-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166301;MM166301;C#CC(F)CNNC=N;XTRRGXJRQPXXCN-UHFFFAOYSA-N;129.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166302;MM166302;C#CC(F)CNNC=O;ABWRPKMEKWLXGN-UHFFFAOYSA-N;130.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166303;MM166303;C#CC(C)COCC=C;FQPZSIXYSAYEKG-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166304;MM166304;C#CC(C)COCC=O;NRARIAQTLUHORC-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166305;MM166305;C#CC(C)COCC#N;GVHYALSQNUUSQK-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166306;MM166306;C#CC(O)COCC=C;HYFNOJSLOZUUOT-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166307;MM166307;C#CC(O)COCC=O;DRCSDKKVHNMYPX-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166308;MM166308;C#CC(F)COCC=C;PUNMSJLMJHHPPD-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166309;MM166309;C#CC(N)CONC=N;ZIONDIGQVFIHGN-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166310;MM166310;C#CC(O)CONC=N;WVDRXXCUVTYBBQ-UHFFFAOYSA-N;128.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166311;MM166311;C#CC(O)CONC=O;XCWFVPIAUATQFL-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166312;MM166312;C#CC(F)CONC=N;PRGUGBRPQKPDIB-UHFFFAOYSA-N;130.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166313;MM166313;C#CC(F)CONC=O;GDZDMFOMUCZPLE-UHFFFAOYSA-N;131.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166314;MM166314;C#CC(C)NCCC=C;LNETXQJDYVNPFR-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166315;MM166315;C#CC(C)OCCC=C;QTRHOHFAUIVXHO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166316;MM166316;C#CC(C)OCCC=O;STVMQGXKOBJZOC-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166317;MM166317;C#CC(C)OCOC=C;TUCPHXIPDCMZIN-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166318;MM166318;C#CC(C)OCOC=O;AFYDBFHSPCXKMR-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166319;MM166319;C#CCCCC(C)C#C;SAXCQZRSRFMRDO-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166320;MM166320;C#CCCCC(N)C#C;USZVZJBXWBOQBI-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166321;MM166321;C#CCCCC(F)C#C;ZIKGWPUGPRWLSC-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166322;MM166322;C#CCNCC(C)C#C;OTYBBWTTWDZQKT-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166323;MM166323;C#CCOCC(C)C#C;LMJJXBDOOBFZQT-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166324;MM166324;C#CCOCC(F)C#C;MSZYJMQUJLYVMQ-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166325;MM166325;C#CCCNC(C)C#C;SWVMFQLKFZEMEY-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166326;MM166326;C#CCCOC(C)C#C;BFDWMUOFSPVONQ-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166327;MM166327;C=C(CC)CCCCC;SLHFFNUTOSKGQG-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166328;MM166328;C=C(CC)CCCCN;BPNXAEYUKXGFBV-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166329;MM166329;C=C(CN)CCCCC;OMYKOSHJFYODIF-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166330;MM166330;C=C(CO)CCCCC;ZDCXFAUCMSLSNL-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166331;MM166331;C=C(CF)CCCCC;PDTQAVYAFBFHIH-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166332;MM166332;C=C(CF)CCCCN;CNDGAMGRLGMJDI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166333;MM166333;CCCCCC(=O)CC;RHLVCLIPMVJYKS-UHFFFAOYSA-N;128.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166334;MM166334;CC1C(C)N1C(=O)NN;JGTDMWCSOGGLHD-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166335;MM166335;CCCCCC(=O)CF;XCTXZEPPGMEWAO-UHFFFAOYSA-N;132.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166336;MM166336;O=C(CF)CCCCF;YAXPBDRMWQHAER-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166337;MM166337;C=C(CC)CCCNC;QOZQDWVZBGFNIP-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166338;MM166338;C=C(CN)CCCOC;ZJXAUWUSCVXFNH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166339;MM166339;C=C(CF)CCCOC;JSCCWTZIBQBNDZ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166340;MM166340;CCC(=O)CCCOC;RHLGBJOTMLFCPW-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166341;MM166341;CCCCCC(=N)NC;WPQRAFOMALWRLP-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166342;MM166342;CCCCCC(=N)NN;PKEIPQJGYJUNIU-UHFFFAOYSA-N;129.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166343;MM166343;CCCCCC(=N)NO;BLBNKCXUNJXJEY-UHFFFAOYSA-N;130.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166344;MM166344;CC(C)(CO)NC(=O)NN;DHLSYDIEJUGMER-UHFFFAOYSA-N;147.18;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166345;MM166345;CNC(=O)CCCCF;QVSXGWLXTSMIOD-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166346;MM166346;CC(C)(C=NN)NNC=O;SCDFHKAEJUNXFH-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166347;MM166347;NCCCCC(=O)NO;YEOWNCJWBHIJNK-UHFFFAOYSA-N;132.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166348;MM166348;O=C(CCCCO)NO;STECBNZTRUTOEY-UHFFFAOYSA-N;133.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166349;MM166349;CNCCCC(=O)NN;JUDKQHGIGZDNFP-UHFFFAOYSA-N;131.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166350;MM166350;CNCCCC(=O)NO;LBNHZFUXFKLYOO-UHFFFAOYSA-N;132.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166351;MM166351;CNC(=O)CCCOC;ZUHCURLFNLPSRB-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166352;MM166352;CC1(O)CC1CC(=O)NN;KABCCKZKGGZQPY-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166353;MM166353;C=C(CCCCC)OC;KJGVHZIDNOLMID-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166354;MM166354;C=NOC(=O)NCC(C)=O;XGWMSUQLJWTYRZ-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166355;MM166355;C=C(CCCNC)OC;XHCGMFGOOSGWFW-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166356;MM166356;C=C(CCCOC)OC;NFQGNGSBWGCBNY-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166357;MM166357;C=C(CC)CCNCC;LQIVDHHXHXPKKD-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166358;MM166358;C=C(CF)CCNCC;ADMHSTFBRDQVQY-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166359;MM166359;CCNCCC(=O)CC;PRFXJWCWTONYHD-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166360;MM166360;CCNCCC(=N)NN;DRUYNIRZYWDUKB-UHFFFAOYSA-N;130.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166361;MM166361;CCNCCC(=O)NN;GTTKTJSYFBDACP-UHFFFAOYSA-N;131.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166362;MM166362;C=C(CCNCC)OC;APBPRIIINLTMGT-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166363;MM166363;C=C(CC)CCOCC;VWMVTOQNYUYEHM-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166364;MM166364;C=C(CN)CCOCC;QVXMLHULSQZLRJ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166365;MM166365;C=C(CO)CCOCC;DIWZPIIMTZEWBK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166366;MM166366;C=C(CF)CCOCC;ULRRTJZJOIYJOH-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166367;MM166367;CCOCCC(=O)CC;DFUOIRGPMKHSHY-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166368;MM166368;CCOCCC(=O)CO;AATBFRAZVXIHNV-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166369;MM166369;CCOCCC(=O)CF;JTTBXZASOMWWEI-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166370;MM166370;CCOCCC(=N)NN;VUUBDHOEDNZCPP-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166371;MM166371;CCOCCC(=N)NO;PUUNZGQTFBFHIZ-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166372;MM166372;CCOCCC(=O)NC;WUEOXQAHIGLVQF-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166373;MM166373;CC1(CC(=O)NN)CC1O;RNOVPMBWVIIGOO-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166374;MM166374;CCOCCC(=O)NO;JXGIHTSATGPBHM-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166375;MM166375;C=C(CCOCC)OC;PWXRJRQRHKCUQM-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166376;MM166376;CCOCCC(=O)OC;HSDFKDZBJMDHFF-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166377;MM166377;C=C(CC)CNCCC;NBLJCZYUPQQGDK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166378;MM166378;C=C(CN)CNCCN;IBEPPRWZJYQBQW-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166379;MM166379;C=C(CN)CNCCO;KKMJMIZAQRNGCL-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166380;MM166380;C=C(CN)CNCCF;ZLNSPDOCJIOVCY-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166381;MM166381;C=C(CO)CNCCN;WVGDOKDLJFGBOC-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166382;MM166382;C=C(CO)CNCCO;PEBQAVPMFRJQPA-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166383;MM166383;C=C(CF)CNCCC;WJNIENNJUYPGOI-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166384;MM166384;C=C(CF)CNCCO;IWXOXZNCWOYMLU-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166385;MM166385;CCCNCC(=O)CC;FBPRRKCURZQTEJ-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166386;MM166386;CCCNCC(=O)CF;LOERCQLXRJAYLF-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166387;MM166387;CNC(=N)CNCCN;CKDLBCZCSZOCQS-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166388;MM166388;CNC(=N)CNCCO;KFQRAEJCJIWPTQ-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166389;MM166389;CNC(=N)CNCCF;QVRXZKJHGWCLLU-UHFFFAOYSA-N;133.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166390;MM166390;N=C(CNCCO)NN;NFMQDYSNVJGAGN-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166391;MM166391;N=C(CNCCN)NO;MWSPUVCBNVECTD-UHFFFAOYSA-N;132.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166392;MM166392;N=C(CNCCO)NO;VJHXAQQSRWVJDW-UHFFFAOYSA-N;133.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166393;MM166393;N=C(CNCCF)NO;ZPBQCNQURQYYOB-UHFFFAOYSA-N;135.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166394;MM166394;CCCNCC(=O)NC;JGVUSZBDWHKJQV-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166395;MM166395;C=C(CNCCC)OC;FZJVRMUUSWLHAP-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166396;MM166396;C=C(CNCCN)OC;UIUSSURWQKVHGB-UHFFFAOYSA-N;130.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166397;MM166397;COC(=O)CNCCN;AAKTVNKKIZAFEN-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166398;MM166398;C=C(CC)COCCN;JACFOCWSWIIPHC-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166399;MM166399;C=C(CC)COCCO;AZNRWVLJKNYDKV-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166400;MM166400;C=C(CN)COCCC;OPCVCILJXBFOOM-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166401;MM166401;C=C(CN)COCCN;XUTJCXIKDRDMEG-UHFFFAOYSA-N;130.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166402;MM166402;C=C(CN)COCCO;LEXKJQBYEAXJIO-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166403;MM166403;C=C(CO)COCCC;KZEJITNEEIPWEU-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166404;MM166404;C=C(CO)COCCF;OLPLPCMWQIGJQG-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166405;MM166405;C=C(CF)COCCN;ZKQHWYREVMXJSL-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166406;MM166406;C=C(CF)COCCO;NSOCZFQPOUMRGY-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166407;MM166407;C=C(CF)COCCF;JUZQFBKGTFXMCR-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166408;MM166408;CCCOCC(=O)CC;RQZUOMQUAOCTBR-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166409;MM166409;CCC(=O)COCCO;MFUFCPUSIURXFG-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166410;MM166410;CCCOCC(=O)CO;ZVDLKZXCNWAIDX-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166411;MM166411;O=C(CO)COCCO;ZSYOLLAXYOSTMH-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166412;MM166412;CCCOCC(=O)CF;FJKKICVEFSSVCU-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166413;MM166413;C=C(CC)COCOC;VHFKQYOEKOBTMF-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166414;MM166414;C=C(CN)COCOC;PPVSFYAXXHCSAR-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166415;MM166415;COCOCC(=O)CO;IEFHLLNABAYNJV-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166416;MM166416;COCOCC(=O)CF;BRCGNCFLNURJJJ-UHFFFAOYSA-N;136.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166417;MM166417;CNC(=N)COCCN;TVDNNLKRPGRZHO-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166418;MM166418;CNC(=N)COCCO;BHNKRWKQGODBDB-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166419;MM166419;CCCOCC(=N)NN;KOWKMDBCDMEPIW-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166420;MM166420;N=C(COCCO)NN;JMKCCJBJMQOVLA-UHFFFAOYSA-N;133.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166421;MM166421;CCCOCC(=N)NO;HUJNBWNUOKQMSX-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166422;MM166422;N=C(COCCN)NO;KAWPXRDGZZDANH-UHFFFAOYSA-N;133.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166423;MM166423;N=C(COCCO)NO;NVSQJWVROGKGBP-UHFFFAOYSA-N;134.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166424;MM166424;N=C(COCCF)NO;BJHYEWWRXXJVRU-UHFFFAOYSA-N;136.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166425;MM166425;CNC(=O)COCCN;YERHKSJQDNTIDQ-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166426;MM166426;CC(O)CCOC(=O)NN;GPNZURVJDDXLIX-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166427;MM166427;C#CC(C)CC(=O)NNC;HVLHNHOZCHMESZ-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166428;MM166428;NCCOCC(=O)NO;JINOXDZPHOBEOD-UHFFFAOYSA-N;134.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166429;MM166429;O=C(COCCO)NO;YKPQHGMWOCZUAG-UHFFFAOYSA-N;135.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166430;MM166430;O=C(COCCF)NO;AZYNKTFEUCVXMK-UHFFFAOYSA-N;137.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166431;MM166431;CNC(=N)COCOC;GTIHYLKVGDWUQW-UHFFFAOYSA-N;132.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166432;MM166432;COCOCC(=N)NN;KYVWGHBQYGGMQX-UHFFFAOYSA-N;133.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166433;MM166433;COCOCC(=N)NO;WNBZMKACDXOGCB-UHFFFAOYSA-N;134.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166434;MM166434;C=C(COCCC)OC;PFPVVIHQJGXJFY-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166435;MM166435;C=C(COCCN)OC;KNIOXFOZKXZHDV-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166436;MM166436;C=C(COCCF)OC;IYIRYRVXLBCGJZ-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166437;MM166437;CCCOCC(=O)OC;AVVSSORVCLNBOS-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166438;MM166438;COC(=O)COCCN;FPGYGKBOJWKWCE-UHFFFAOYSA-N;133.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166439;MM166439;COC(=O)COCCF;ALVTWDWWXNIMIN-UHFFFAOYSA-N;136.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166440;MM166440;CCCCNC(=N)CC;WUQAXJAVUGHZGD-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166441;MM166441;CCC(=N)NCCCN;ULCBKFFIYIQEHY-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166442;MM166442;CCC(=N)NCCCO;YWIYCECBGBAGCN-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166443;MM166443;N=C(CN)NCCCN;QWLBEIIWVGCQFM-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166444;MM166444;N=C(CN)NCCCO;WJQRSMSLWIWEBC-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166445;MM166445;N=C(CO)NCCCN;JITGZHKRROXLGF-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166446;MM166446;N=C(CO)NCCCO;ZTIMBLUNCHRNTM-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166447;MM166447;NN1C(=O)CC2(O)C(O)C12;VKRARZWXEUEMJJ-UHFFFAOYSA-N;144.13;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166448;MM166448;CCC(=O)NCCCO;ZSSOONKGCDIKMO-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166449;MM166449;NCCCNC(=O)CN;BBYXKOLVJHMSKJ-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166450;MM166450;NCCCNC(=O)CO;AYRTYYKMBLVODF-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166451;MM166451;O=C(CO)NCCCF;UERUYJDXFUCPBJ-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166452;MM166452;CNCCNC(=N)CN;KVAFMHVDQCEPPE-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166453;MM166453;CNCCNC(=N)CO;KZKMRVYIZNBINP-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166454;MM166454;CNCCNC(=O)CN;QZHFXXFMFHEYIW-UHFFFAOYSA-N;131.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166455;MM166455;CNCCNC(=O)CO;HVMDCSBTVGPBGO-UHFFFAOYSA-N;132.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166456;MM166456;COCCNC(=N)CN;HTEUTYIJQMRLSX-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166457;MM166457;COCCNC(=N)CO;XDHNDXNCGJVHOX-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166458;MM166458;CCC(=O)NCCOC;CVKMCTKUFWPCBY-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166459;MM166459;COCCNC(=O)CO;VJENWUYDMPFSIX-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166460;MM166460;CNC(=N)NCCCO;DFMMXFNSNUUWBK-UHFFFAOYSA-N;131.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166461;MM166461;N=C(NO)NCCCN;HYBLXYGPQAIGPY-UHFFFAOYSA-N;132.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166462;MM166462;CNC(=O)NCCCN;NTVYKGPYJZTKJR-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166463;MM166463;CNC(=O)NCCCO;JGDJEMUQBKSAFL-UHFFFAOYSA-N;132.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166464;MM166464;CC(O)c1nn(O)c(=N)o1;CSGYJWHFJWHREL-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166465;MM166465;NCCCNC(=O)NO;TUMKTERWKDOSDV-UHFFFAOYSA-N;133.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166466;MM166466;CNCCNC(=N)NC;UEBSEOBYXSLJHU-UHFFFAOYSA-N;130.2;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166467;MM166467;CNCCNC(=N)NO;VSJHGJLTKUEQDA-UHFFFAOYSA-N;132.17;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166468;MM166468;CNCCNC(=O)NC;BQDQVJYEDIIARU-UHFFFAOYSA-N;131.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166469;MM166469;CNCCNC(=O)NN;BEUHTKKWZZHQBT-UHFFFAOYSA-N;132.17;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166470;MM166470;CNCCNC(=O)NO;CCSCTYNAWSPGJQ-UHFFFAOYSA-N;133.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166471;MM166471;CNC(=N)NCCOC;MYEZCCNUNHPFHJ-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166472;MM166472;COCCNC(=N)NN;IEHRMPGZUYSDNZ-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166473;MM166473;COCCNC(=N)NO;WIEYNNVFEGLTIQ-UHFFFAOYSA-N;133.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166474;MM166474;CNC(=O)NCCOC;NBBPXRJEEBWBOE-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166475;MM166475;C=CC(C)NNC(=O)OC;BQTHDDFEVVFNMX-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166476;MM166476;COCCNC(=O)NO;GCQMNNBNBBQTSK-UHFFFAOYSA-N;134.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166477;MM166477;COC(=N)NCCCN;BJSLKVJYPRBVFK-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166478;MM166478;CNCCNC(=O)OC;SZRWOLOVRDQPFQ-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166479;MM166479;COCCNC(=O)OC;NXFZAZLWCGRMSI-UHFFFAOYSA-N;133.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166480;MM166480;CCC(=N)NNCCN;VJWSJNYDLQTAER-UHFFFAOYSA-N;130.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166481;MM166481;CCC(=N)NNCCO;HQKQTFFLLSZACM-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166482;MM166482;CCC(=N)NNCCF;FFMIRNFTXYIKTB-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166483;MM166483;CCCNNC(=N)CN;REUCYTMVZZXPBT-UHFFFAOYSA-N;130.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166484;MM166484;N=C(CN)NNCCN;JILPBMGOZNXWOF-UHFFFAOYSA-N;131.18;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166485;MM166485;N=C(CN)NNCCO;MJKOJFCSANDRKS-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166486;MM166486;CCCNNC(=N)CO;DVRKZOGRNSWMNI-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166487;MM166487;N=C(CO)NNCCN;WGGLNFKMGCMCRD-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166488;MM166488;N=C(CO)NNCCO;WLRGITNJAYPAHH-UHFFFAOYSA-N;133.15;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166489;MM166489;N=C(CO)NNCCF;MDFBKYLBPLMKAD-UHFFFAOYSA-N;135.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166490;MM166490;CCC(=O)NNCCN;UCYOOOJSWDHYNV-UHFFFAOYSA-N;131.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166491;MM166491;CCC(CC(=O)NN)=NN;NQIUFFKPDGTLLZ-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166492;MM166492;C=CC(C#N)N=CN(C)O;SNYPLGIECQFSCQ-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166493;MM166493;C#CC(C)(O)C1NC1C=C;ZZDSNQVESCQJHI-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166494;MM166494;O=C(CF)NNCCF;VXJJDGVTCZTHAY-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166495;MM166495;CNC(=N)NNCCN;FWOFETLPRYHZMX-UHFFFAOYSA-N;131.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166496;MM166496;CNC(=N)NNCCF;LQXCBHVLHFFECR-UHFFFAOYSA-N;134.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166497;MM166497;CCCNNC(=N)NN;NWFNKOJFBRNMIB-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166498;MM166498;N=C(NN)NNCCO;DBDPCOUNYQUJKW-UHFFFAOYSA-N;133.16;-2.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166499;MM166499;CCCNNC(=N)NO;YEQFWGUMXFKILS-UHFFFAOYSA-N;132.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166500;MM166500;N=C(NO)NNCCN;NYSHWTCRMOIAKL-UHFFFAOYSA-N;133.16;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166501;MM166501;N=C(NO)NNCCO;PNLLDWGKEAGPIE-UHFFFAOYSA-N;134.14;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166502;MM166502;CC(CCC=O)NNC=O;AAGRUKCBIKIWJZ-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166503;MM166503;NCCNNC(=O)NO;GEGDIMMKXWQRAS-UHFFFAOYSA-N;134.14;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166504;MM166504;O=C(NO)NNCCO;WAELUFCZJHOVJL-UHFFFAOYSA-N;135.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166505;MM166505;NNC(=O)OCCCCO;NNULALHZYNHTQV-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166506;MM166506;COC(=O)NNCCN;WVQRJYRAFQYSEH-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166507;MM166507;CCC#CC=CC(=O)NN;JQQBTDYGMOWDEE-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166508;MM166508;CCC(=N)NOCCN;KWTRXCOCOFZKOC-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166509;MM166509;CCC(=N)NOCCO;CFHNMJNKIAMVIL-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166510;MM166510;N=C(CN)NOCCO;DDYBEQJXARJDLM-UHFFFAOYSA-N;133.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166511;MM166511;N=C(CO)NOCCO;LHHXLLKOUWQQDR-UHFFFAOYSA-N;134.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166512;MM166512;Nc1onnc(=NO)c1O;FGYVAMVHNHXGLZ-UHFFFAOYSA-N;144.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166513;MM166513;CC(C#N)C(CO)=NO;RVUURABLRVYNGQ-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166514;MM166514;O=CC(F)=CC(F)C=NO;FLRIGSNURAFNSU-UHFFFAOYSA-N;149.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166515;MM166515;C#CC(O)(C=NO)CO;RUACLXLGIKYXKA-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166516;MM166516;CCC(=N)NOCOC;AXOLQLPXNNSLTA-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166517;MM166517;COCONC(=N)CN;ZCHXMSVSAYVKTD-UHFFFAOYSA-N;133.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166518;MM166518;Nc1nc(=O)n(O)n1O;NOLBGNJUTHRSRC-UHFFFAOYSA-N;132.08;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166519;MM166519;CNC(=N)NOCCN;YSMGPVPQJIVBCV-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166520;MM166520;CNC(=N)NOCCO;TVLMHFQNGVMUSY-UHFFFAOYSA-N;133.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166521;MM166521;CNC(=N)NOCCF;SUMURUQHHSPNLM-UHFFFAOYSA-N;135.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166522;MM166522;N=C(NN)NOCCO;AUJFBFWCCRSBDJ-UHFFFAOYSA-N;134.14;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166523;MM166523;N=C(NN)NOCCF;IZYABHRHNDECCS-UHFFFAOYSA-N;136.13;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166524;MM166524;N=C(NO)NOCCN;MEJTWCMRYYDYTB-UHFFFAOYSA-N;134.14;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166525;MM166525;N=C(NO)NOCCO;VKBJTZPRWUMIEC-UHFFFAOYSA-N;135.12;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166526;MM166526;CNC(=O)NOCCN;ZSHKTIVDGKNHGA-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166527;MM166527;CNC(=O)NOCCO;HTPWYOJCOSALOQ-UHFFFAOYSA-N;134.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166528;MM166528;NNC(=O)NOCCO;GGHKCDHTWPBFTG-UHFFFAOYSA-N;135.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166529;MM166529;NCCONC(=O)NO;JDQLCCSIMRBOMT-UHFFFAOYSA-N;135.12;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166530;MM166530;O=C(NO)NOCCO;UAVOKZJJQATTNZ-UHFFFAOYSA-N;136.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166531;MM166531;O=C(NO)NOCCF;NVRMNRGYJLQMPA-UHFFFAOYSA-N;138.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166532;MM166532;COCONC(=N)NN;AQNZKOUIRQHYON-UHFFFAOYSA-N;134.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166533;MM166533;COCONC(=O)NN;LQIYEZOHIKDZMQ-UHFFFAOYSA-N;135.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166534;MM166534;C=C(CC)OCCCC;DWTWTPBZEAHZHO-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166535;MM166535;C=C(CC)OCCCN;UHTYMSQLVBCYND-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166536;MM166536;C=C(CC)OCCCO;KBNILWMPCFZZLP-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166537;MM166537;C=C(CN)OCCCC;YEBULMDSIPURGR-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166538;MM166538;C=C(CO)OCCCO;IVQLLUBNKUXDOI-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166539;MM166539;C=C(CF)OCCCC;SOKUNAZYDRXUPB-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166540;MM166540;NCCCOC(=O)CO;UDZJAZFADWMFHP-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166541;MM166541;O=C(CO)OCCCO;LDVJONRNSCKBMP-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166542;MM166542;C=C(CC)OCCNC;FCLCHHIDPLLLOS-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166543;MM166543;CCC(=O)OCCNC;YGYZGFKHUSQFCS-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166544;MM166544;CNCCOC(=O)CN;HWCGQIBJMXNVMX-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166545;MM166545;CNCCOC(=O)CO;RJAFAFGWNLYJLO-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166546;MM166546;C=C(CN)OCCOC;GUWGUYMKMUYWMN-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166547;MM166547;C=C(CO)OCCOC;CMXQNJKCYQQFOW-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166548;MM166548;C=C(CF)OCCOC;JQRNMVGYXVMDES-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166549;MM166549;COCCOC(=O)CO;IVHPEUVYKMPFGU-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166550;MM166550;CCCCOC(=N)NC;WBZVHNUACPLGDI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166551;MM166551;CNC(=N)OCCCN;VPBYFPAKYCLHNA-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166552;MM166552;CNC(=O)OCCCF;QDJYATCQOWOPCY-UHFFFAOYSA-N;135.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166553;MM166553;O=C(NO)OCCCO;ZAMRUQPODGFWHC-UHFFFAOYSA-N;135.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166554;MM166554;CNCCOC(=N)NC;SPUIWXSCNFCISW-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166555;MM166555;CNCCOC(=N)NN;JBOPSEZCZNTOFR-UHFFFAOYSA-N;132.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166556;MM166556;CNCCOC(=N)NO;PRMKCPUPJOMQEF-UHFFFAOYSA-N;133.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166557;MM166557;CNCCOC(=O)NC;WRWPZDCDMWPZCN-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166558;MM166558;CNCCOC(=O)NN;KJOHYBJZXYAFKD-UHFFFAOYSA-N;133.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166559;MM166559;CNC(=O)OCCOC;HZATZLOLZWIRDN-UHFFFAOYSA-N;133.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166560;MM166560;CNN=C(NO)C(O)CO;BLZRKXPHGYPCDS-UHFFFAOYSA-N;149.15;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166561;MM166561;COCCOC(=O)NO;GYMOMRDTFQMQAK-UHFFFAOYSA-N;135.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166562;MM166562;C=C(CC)OCOCC;KCVPESSUFOBZSA-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166563;MM166563;C=C(CF)OCOCC;PAFSKEYRXXOTOV-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166564;MM166564;CCOCOC(=O)CC;GIXDJNPUPVJXBG-UHFFFAOYSA-N;132.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166565;MM166565;C=CCCCC(=C)CC;GSDXNCFBHCCUHO-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166566;MM166566;C=C(CC)CCCC=O;RLVCILQZAOOXBR-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166567;MM166567;C=C(CC)CCCC#N;HBEUTDHBZGJRRF-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166568;MM166568;C=CCCCC(=C)CN;QNRUKGPXCXOYCU-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166569;MM166569;C=CCCCC(=C)CO;FMBSEAXLUWAECJ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166570;MM166570;C=CCCCC(=C)CF;FBBIMRHTWUNRFY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166571;MM166571;C=C(CF)CCCC#N;YWHGMMHEFOTQHP-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166572;MM166572;C=CCCCC(=O)CC;GFLKFABQDSYXTM-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166573;MM166573;CCC(=O)CCCC=O;DGCBTMCXHXNPHH-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166574;MM166574;O=CCCCC(=O)CO;PSWLWOPCCZBSLW-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166575;MM166575;C=CCCCC(=O)CF;TUIMTXGZATVTHR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166576;MM166576;O=CCCCC(=O)CF;IULROGQOPFCXIE-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166577;MM166577;C=CCCCC(=N)NC;USFINISJPKCKNX-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166578;MM166578;C=CCCCC(=N)NN;JCHQWFQCATYUTE-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166579;MM166579;CNC(=O)CCCC=O;MGPSVKVFOOVOFZ-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166580;MM166580;O=CCCCC(=O)NO;NPZGWMYLAQRKFK-UHFFFAOYSA-N;131.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166581;MM166581;N#CCCCC(=O)NO;DDOVMLILZJUWJN-UHFFFAOYSA-N;128.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166582;MM166582;C=CCCCC(=C)OC;JWRCMTZFHDDYQK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166583;MM166583;C=C(CCCC=O)OC;FRVSCANDJZMLHO-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166584;MM166584;C=C(CCCC#N)OC;AEGAFNHSDUMDOC-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166585;MM166585;C=CCCCC(=O)OC;ASKDFGVMJZMYEM-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166586;MM166586;COC(=O)CCCC#N;UKLXOVLDIFDCED-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166587;MM166587;C=C(CC)CCNC=N;HIZKFIJGILSWKS-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166588;MM166588;N=c1n(O)c(F)c(F)n1O;PSUNYFYLUIYCEY-UHFFFAOYSA-N;151.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166589;MM166589;C=C(CN)CCNC=N;CLRCHAYLHNMINO-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166590;MM166590;C=C(CN)CCNC=O;OEYFOEBLMSGOHH-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166591;MM166591;C=C(CO)CCNC=N;UXGKDUNIYRCDMM-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166592;MM166592;CC1C(O)C1CC(=O)NN;IBXZYCQMYSJOKS-UHFFFAOYSA-N;144.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166593;MM166593;Cc1c(F)n(O)oc1=NN;XWAYGWWDGPEWAL-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166594;MM166594;NC=NCCC(=O)CO;VRXQBYFWLXPJDH-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166595;MM166595;O=CNCCC(=O)CO;YNJBBPDPWARKNH-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166596;MM166596;O=CNCCC(=O)CF;VIUBCSDWXUDOMQ-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166597;MM166597;C=NNCCC(=C)CN;APHAJGJSBGSORN-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166598;MM166598;O=CNNCC1(CO)CC1;KOMYGUBDCAXORP-UHFFFAOYSA-N;144.17;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166599;MM166599;C#CC1=CCC(=NN=C)N1;IFUTWDCDTSEAIZ-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166600;MM166600;C=CC#CC(O)C1CN1C;GFOVZKKRZQBGMX-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166601;MM166601;CNC(=N)CCNC=N;ZWOGGSXRYYEFLI-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166602;MM166602;CNC(=N)CCNC=O;KMJPFYCTPALRMA-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166603;MM166603;N=CNCCC(=N)NN;ZQYAVGOZGRUGHQ-UHFFFAOYSA-N;129.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166604;MM166604;N=C(CCNC=O)NN;LTDXIDPJWVJPHC-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166605;MM166605;N=CNCCC(=N)NO;MNZYDRJUELXEHX-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166606;MM166606;N=C(CCNC=O)NO;VAAQRONMGOTUHW-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166607;MM166607;CNC(=O)CCN=CN;UHJCPXLFJRKFKG-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166608;MM166608;NC=NCCC(=O)NN;QVISXBKGSKSJRE-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166609;MM166609;C=NNCCC(=C)OC;UNTNLPUWZVSYOY-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166610;MM166610;C=NNCCC(=O)OC;QEMUXEAHCSFLOZ-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166611;MM166611;C=COCCC(=C)CC;ARAMQIGGCYWGEJ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166612;MM166612;C=C(CC)CCOC=O;BODAZZQMUGTIRD-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166613;MM166613;C=COCCC(=C)CN;PRIDDZNPQZAYDY-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166614;MM166614;C=COCCC(=C)CO;NHONFVOXOOETRS-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166615;MM166615;C=COCCC(=C)CF;HEMDFANOTBRFLF-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166616;MM166616;C=C(CF)CCOC=O;YTNSRYGZAWXZOO-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166617;MM166617;C=COCCC(=O)CC;OXRUFTBIHKLOLI-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166618;MM166618;O=COCCC(=O)CO;MSEZKVLTHATATG-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166619;MM166619;C=COCCC(=O)CF;IIIISKFMAPFEJS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166620;MM166620;O=COCCC(=O)CF;LPNXZDQIQAVOQW-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166621;MM166621;C=NOCCC(=C)CC;UTCMVKAETCVORV-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166622;MM166622;C=NOCCC(=C)CF;UUSDVDJPZMTHGT-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166623;MM166623;C=CC(=NO)NCC1CC1;KOHUJYDCJKMOLJ-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166624;MM166624;C=C(CO)CC(=O)NN;CWFPLDPVSSIWPY-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166625;MM166625;N=C(CCOC=O)NN;PZWVFPQQWQFPEJ-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166626;MM166626;N=C(CCOC=O)NO;PRGKEVKDVMAWGB-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166627;MM166627;CNC(=O)CCOC=O;SCJIAPAMVMBNLS-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166628;MM166628;C#CC(C)(O)C1CN1C;WTNFXUKYGMSZOD-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166629;MM166629;C=C(CO)CNNC=O;FIOXJRNAPQIWBG-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166630;MM166630;O=COCCC(=O)NO;BLSPQASLIWQYQU-UHFFFAOYSA-N;133.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166631;MM166631;C=NOCCC(=N)NO;LYLIZFJQYHFRDM-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166632;MM166632;NN=CC(O)C(O)CO;LUERNUPIHXLRQJ-UHFFFAOYSA-N;134.14;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166633;MM166633;C=COCCC(=C)OC;WKZYLIPAVBXNAK-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166634;MM166634;C=C(CCOC=O)OC;ILVMMVJTESWDAU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166635;MM166635;C=COCCC(=O)OC;QOKOTJJYPXKHJF-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166636;MM166636;C=NOCCC(=C)OC;WQSMCJLTRQTKLF-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166637;MM166637;C=CCNCC(=C)CC;CIMVPIGIHUMOGS-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166638;MM166638;C=C(CC)CNCC#N;VJSKIZCZZMEKGZ-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166639;MM166639;N=C1CC(O)C(=O)N1N;BYVKQUAKSIEANL-UHFFFAOYSA-N;129.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166640;MM166640;CN1CC(O)C(=O)C1=N;JFFCDFMWGRNFCZ-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166641;MM166641;NN=c1cc(F)n(O)o1;IKGPWYTZBCGKOM-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166642;MM166642;Cc1cc(CC#N)[nH]n1;WTVPXADYVCPMHC-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166643;MM166643;C=Nn1nnn(O)c1=N;RYDLJKSWGXKNCO-UHFFFAOYSA-N;128.1;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166644;MM166644;C=CCNCC(=N)NC;LBEKZAROWBQEMI-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166645;MM166645;CN=C(N)CNCC=O;MACBDHBNZTYNIU-UHFFFAOYSA-N;129.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166646;MM166646;C=CCNCC(=N)NN;AIFINIZHIBPSLB-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166647;MM166647;N#CC(=CN)C(F)C=O;RJZMOCWYCURPTK-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166648;MM166648;N#CCNCC(=N)NO;HYOUIIUIVFKDIO-UHFFFAOYSA-N;128.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166649;MM166649;N#CCNCC(=O)NO;GZHCGEUWPSVTMB-UHFFFAOYSA-N;129.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166650;MM166650;O=CC(O)C1NC1C=O;OTZZDFSPIQVEJL-UHFFFAOYSA-N;129.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166651;MM166651;COC(=O)CNCC#N;OJYJSOKMXFZINL-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166652;MM166652;C=C(CN)CNNC=N;DGHGFIHATRPKDP-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166653;MM166653;C=C(CN)CNNC=O;LSBFAFXGQSIZEJ-UHFFFAOYSA-N;129.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166654;MM166654;C=C(CO)CNNC=N;ZGLDRFWYAFUMNL-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166655;MM166655;CC(O)C(C)NC(=O)NN;LXCDJYQLRJANLW-UHFFFAOYSA-N;147.18;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166656;MM166656;C=C(CF)CNNC=N;KDJGUJRUIHLSBB-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166657;MM166657;CN1C(C(O)C=O)C1(C)C;LTYVXKDKAYSNHM-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166658;MM166658;CN1C(C(=O)NN)C1(C)C;KHOSIHVJTCRRDH-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166659;MM166659;NC=NNCC(=O)CO;WKNAWLCCPYVGKD-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166660;MM166660;O=CNNCC(=O)CO;ULRMFTJMCWMQSH-UHFFFAOYSA-N;132.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166661;MM166661;N=CNNCC(=O)CF;XXSDTUBPLVPMCG-UHFFFAOYSA-N;133.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166662;MM166662;O=CNNCC(=O)CF;PGHKNZGXVSMTHZ-UHFFFAOYSA-N;134.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166663;MM166663;CNC(=N)CNNC=N;CPZYHVUNVVBGIF-UHFFFAOYSA-N;129.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166664;MM166664;CNC(=N)CNNC=O;OIYWKNPOFDUNRZ-UHFFFAOYSA-N;130.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166665;MM166665;N=CNNCC(=N)NN;UJZYNHVWVACEBX-UHFFFAOYSA-N;130.16;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166666;MM166666;N=CNNCC(=N)NO;BAFOFYBNCXQDRF-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166667;MM166667;CNN=C(C)CC(=O)NN;NLAPJGAMEADOJE-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166668;MM166668;C=CNC(=O)OCON=C;NYHSSENKDFQIJK-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166669;MM166669;COC(=O)CNN=CN;LIKFJCDWAWSEQJ-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166670;MM166670;COC(=O)CNNC=O;UFXIJCVIECHJQD-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166671;MM166671;C=C(CC)COCC#N;QYPZCPFVGCVJQM-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166672;MM166672;C=CCOCC(=C)CO;PJHSPZFTRQUZNY-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166673;MM166673;C=C(CO)COCC=O;SJZSWCGTOKFGHE-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166674;MM166674;C=CCOCC(=C)CF;MJLNPNSPUJFJMO-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166675;MM166675;C=C(CF)COCC=O;NUHBNCACINDVEE-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166676;MM166676;O=CCOCC(=O)CO;KCRZQBMZFYRNEK-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166677;MM166677;N#CCOCC(=O)CO;ISCMHQFEXHNMGF-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166678;MM166678;C=CCOCC(=N)NN;UCNITQCUEUPFCV-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166679;MM166679;NC(COCC=O)=NO;UUDWZXKPIIMSMF-UHFFFAOYSA-N;132.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166680;MM166680;C=CCOCC(=O)NC;FHMUDPQELXTBEN-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166681;MM166681;CNC(=O)COCC=O;BMIDJNZSIZWSCP-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166682;MM166682;COCC(O)C(O)C=NN;SBWYYPKTJKLCIP-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166683;MM166683;C=CCOCC(=O)NO;XALIFVNHIURYFQ-UHFFFAOYSA-N;131.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166684;MM166684;N#CCOCC(=O)NO;MTUCOYWUFSYHCD-UHFFFAOYSA-N;130.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166685;MM166685;C=CCOCC(=C)OC;VSKGVEJORUZIKC-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166686;MM166686;C=CCOCC(=O)OC;WTZZKRFPAXYNTE-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166687;MM166687;COC(=O)COCC=O;IFZJXZDOECGKIH-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166688;MM166688;C=C(CC)CONC=N;WAXFUHMYIGQOQW-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166689;MM166689;C=C(CC)CONC=O;QDGKRKPINPDFHH-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166690;MM166690;C=C(CN)CONC=N;WIPOEPHBPPQJCE-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166691;MM166691;C=C(CN)CONC=O;MZJJFGDXINNRHL-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166692;MM166692;C=C(CO)CONC=O;XHBYGCGGEFJNHO-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166693;MM166693;C=C(CF)CONC=O;GZHRWJSQMRKPTN-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166694;MM166694;O=CNOCC(=O)CO;WPRTWPDPKGWPFL-UHFFFAOYSA-N;133.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166695;MM166695;N=CNOCC(=O)CF;GTOADKFKTYHNRV-UHFFFAOYSA-N;134.11;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166696;MM166696;O=CNOCC(=O)CF;PBIBCXGOHVNIFS-UHFFFAOYSA-N;135.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166697;MM166697;CNC(=N)CONC=N;XYONNFCDAXAPOW-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166698;MM166698;CNC(=N)CONC=O;RWUJUZPWQKMMGH-UHFFFAOYSA-N;131.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166699;MM166699;N=CNOCC(=N)NN;FNDZHMKQLAUSMR-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166700;MM166700;N=CNOCC(=N)NO;MHNTUQVVQNUJLR-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166701;MM166701;C=C(CONC=N)OC;LTIGFEUMHGTBQM-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166702;MM166702;C=C(CONC=O)OC;JANKUMOECJBSIV-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166703;MM166703;COC(=O)CONC=O;BVQDSQAAFYGSRE-UHFFFAOYSA-N;133.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166704;MM166704;C=CCCNC(=N)CC;CHQPWVGGCLYTAX-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166705;MM166705;NC(CO)=NCCC=O;SIWHRHSFLCRCMX-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166706;MM166706;CNN=c1cc(F)n(O)o1;DESJLOXZJQUZEU-UHFFFAOYSA-N;147.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166707;MM166707;CCC(=O)NCCC=O;PSVPZRHKRRBGFX-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166708;MM166708;C=CCCNC(=O)CO;GGDSQDXRTMBYJZ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166709;MM166709;O=CCCNC(=O)CO;CAQXLPNFUUFWPN-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166710;MM166710;N#CCCNC(=O)CO;IPDITEOILODRFF-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166711;MM166711;O=CCCNC(=O)CF;PFTHONUUCKCMMI-UHFFFAOYSA-N;133.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166712;MM166712;CNC(=N)NCCC=O;CBIJDXMIJVTLNL-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166713;MM166713;CNC(=O)NCCC=O;BAOISRCKGFKPFY-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166714;MM166714;O=CCCNC(=O)NO;XATVRXYRWALBMD-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166715;MM166715;CCC(=N)NNCC=O;HALLBQGTGZHBOD-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166716;MM166716;C=CCNNC(=N)CN;IIKIXGLKJNJOFF-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166717;MM166717;N#CCNNC(=N)CO;UUDJTRXLHLFEIQ-UHFFFAOYSA-N;128.14;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166718;MM166718;CC1(CO)NC1C(O)C=O;JZTHAXHTEDKZRV-UHFFFAOYSA-N;145.16;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166719;MM166719;C=CC1(C)NC1C(O)C=O;XDRWMVZMZSBEEW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166720;MM166720;N#CCNNC(=O)CO;NCXGNOIISWBOCF-UHFFFAOYSA-N;129.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166721;MM166721;CNC(=N)NNCC#N;LVSDWADVWAKSEA-UHFFFAOYSA-N;127.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166722;MM166722;N=C(NO)NNCC=O;MNKNYMDGNKVORK-UHFFFAOYSA-N;132.12;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166723;MM166723;N#CCNNC(=N)NO;SATUYKJWMRHTES-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166724;MM166724;CCC1(C)NC1C(=O)NN;XAFMREDAKHUMKL-UHFFFAOYSA-N;143.19;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166725;MM166725;N#CCNNC(=O)NO;XVUBJKFOCPAHAQ-UHFFFAOYSA-N;130.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166726;MM166726;CCC(=N)NOCC=O;QZDZGHQZMUUNDB-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166727;MM166727;C=CCONC(=N)CN;KRVKXTUPHVUCDJ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166728;MM166728;CNC(=CC(=O)NN)OC;PPOHELCGJKMGCX-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166729;MM166729;N=c1nc(N)c(=O)n(O)o1;BUOXSLFUXDPODP-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166730;MM166730;Cc1c(O)nn(N)c1O;ARNGWXPAWUEHMH-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166731;MM166731;Cc1cn(N)nc1O;JDPJLNJLQXBJTC-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166732;MM166732;CNC(=N)NOCC=O;VJFWITGUEOMLGI-UHFFFAOYSA-N;131.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166733;MM166733;C=CCONC(=N)NN;QKHWGBHJJAOXKL-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166734;MM166734;C=CCONC(=N)NO;BAXNMPRLJWQRLX-UHFFFAOYSA-N;131.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166735;MM166735;N=C(NO)NOCC=O;ZJRJVAPDYRUUGW-UHFFFAOYSA-N;133.11;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166736;MM166736;CNC(=O)NOCC=O;DKRJDYQZCAGNHZ-UHFFFAOYSA-N;132.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166737;MM166737;CNC(=O)NOCC#N;YUPYNTUITGJOGC-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166738;MM166738;O=CCONC(=O)NO;SXRORZTUPDVLJS-UHFFFAOYSA-N;134.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166739;MM166739;COC(=O)NOCC=O;OIURDVSEPQCHLP-UHFFFAOYSA-N;133.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166740;MM166740;C=CCCOC(=C)CC;PMHXBUKBUITGLT-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166741;MM166741;C=C(CO)OCCC=O;YKQMWNPBXCERTR-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166742;MM166742;C=CCCOC(=C)CF;GIPOBKKUSXZLJE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166743;MM166743;C=C(CF)OCCC=O;YYHPIFOBEOJZNS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166744;MM166744;C=C(CF)OCCC#N;AZKCTWJAZRLHAT-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166745;MM166745;CCC(=O)OCCC=O;VRRVETKCDNFOPH-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166746;MM166746;O=CCCOC(=O)CO;QGSNXPOVIBYVOE-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166747;MM166747;N#CCCOC(=O)CO;NOHMVXVARXSXPO-UHFFFAOYSA-N;129.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166748;MM166748;N#CCCOC(=O)NO;YPKFWTSGIDMAND-UHFFFAOYSA-N;130.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166749;MM166749;COC(=O)OCCC#N;KKZOBIJJBMMSAP-UHFFFAOYSA-N;129.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166750;MM166750;C=C(CC)OCOC=O;SBRYEUXWYPEDDN-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166751;MM166751;C=C(CN)OCOC=O;PVSYFZYRGFXJSE-UHFFFAOYSA-N;131.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166752;MM166752;C=C(CO)OCOC=O;YGWPIMFJQNNBKR-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166753;MM166753;C=COCOC(=C)CF;NKSNWQYGCZGTAG-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166754;MM166754;C=COCOC(=O)CC;CXASRYWENRDNHP-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166755;MM166755;C=COCOC(=O)CO;BFOSZCHEJRCNQU-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166756;MM166756;C=NOCOC(=C)CN;BNZWDUHGWQRXTN-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166757;MM166757;COC(=O)N=C(NN)NO;ORIRQGCIAGMMQZ-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166758;MM166758;CNC(=N)OCOC=O;PEMLBDVKJKCMLN-UHFFFAOYSA-N;132.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166759;MM166759;C#CC(=CC(=O)NN)CC;LGKBMXRVVJMQFF-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166760;MM166760;NNC(=O)OCOC=O;VBSCOCQNAKNJEK-UHFFFAOYSA-N;134.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166761;MM166761;C=NN(C)C(C)C(O)C=O;WPZDOWXKVZOUBH-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166762;MM166762;C#CCCCC(=C)CC;GBDHZRGRNUFCJD-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166763;MM166763;C#CCCCC(=C)CN;KKNFXEKWDJECRP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166764;MM166764;C#CCCCC(=C)CO;BCGCKSUFFDQRKG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166765;MM166765;C#CCCCC(=C)CF;PJJZJXADPMOVID-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166766;MM166766;C#CCCCC(=O)CC;HCCWTHOWPNUNOU-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166767;MM166767;C#CCCCC(=O)CF;QLDKMTHWNAVUJF-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166768;MM166768;C#CCCCC(=N)NC;VMXAKDKDIAOHJH-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166769;MM166769;C#CCCCC(=O)NC;SNKFNPQAMNTLOB-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166770;MM166770;CNN=CC(O)C(O)CO;QVEKPRKEWBQYHE-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166771;MM166771;C#CCCCC(=O)NO;VRRWRNLQHPBRHN-UHFFFAOYSA-N;127.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166772;MM166772;C#CCCCC(=C)OC;CVKWTIQRXBGNQG-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166773;MM166773;C#CCCCC(=O)OC;LZULAZTXJLWELL-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166774;MM166774;C#CCNCC(=C)CC;YEPFSERPVIVMOO-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166775;MM166775;C#CCNCC(=C)CN;CMEAQWLIWIWAAI-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166776;MM166776;C#CCNCC(=N)NC;OJMRTZFCMKWSLS-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166777;MM166777;C#CCNCC(=N)NN;KUNIQNREABQWAY-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166778;MM166778;C#CCOCC(=C)CC;SNXDPOBSXDGCFA-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166779;MM166779;C#CCOCC(=C)CF;DREBGIGCQWTPQK-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166780;MM166780;C#CCOCC(=O)CC;PSJDSZZUNMKMSA-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166781;MM166781;C#CCOCC(=N)NN;TZIGMZQJUFDXTH-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166782;MM166782;C#CCOCC(=N)NO;OPMZGUHRELBDBX-UHFFFAOYSA-N;128.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166783;MM166783;C=CN(C=NNC)NC=O;XCIYOQXHXUSKLN-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166784;MM166784;C#CCOCC(=O)NO;IMQCGDBDPXTNOW-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166785;MM166785;C#CCOCC(=C)OC;IWSIFRRUZVAFJL-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166786;MM166786;C#CCCNC(=N)CC;SXIKPNHSCPWUDM-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166787;MM166787;C#CCCNC(=N)CN;CDHIHTPWHLADAC-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166788;MM166788;C#CCCNC(=N)CO;PGUCQCIGADEYOW-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166789;MM166789;C#CCCNC(=O)CC;IXBAMBOADLYNTI-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166790;MM166790;C#CCCNC(=O)CO;ZIWSUWFAMVATDF-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166791;MM166791;C#CCCNC(=O)CF;GLEKUUBYJOCWTL-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166792;MM166792;C#CCCNC(=N)NN;JWDZILOKSRNRPG-UHFFFAOYSA-N;126.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166793;MM166793;C#CCCNC(=N)NO;VNUTURWCZHGZLX-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166794;MM166794;C#CCCNC(=O)NC;YGDJTGDKOARKJX-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166795;MM166795;C#CCCNC(=O)NO;FNTHLSJJUTXJDQ-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166796;MM166796;C#CCNNC(=N)CC;HLYLLKHSMKOHRD-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166797;MM166797;C#CCNNC(=N)CN;KACPRIRCEPLGEF-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166798;MM166798;C#CCNNC(=N)CO;IHCJNVJDHUWEAF-UHFFFAOYSA-N;127.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166799;MM166799;Cc1c(F)c(N)n(N)c1O;CAPHIPGIBXFXCC-UHFFFAOYSA-N;145.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166800;MM166800;C#CCNNC(=O)CO;RNFBKGGBPYJJQQ-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166801;MM166801;C#CCNNC(=N)NN;ZVLXPVLBKSZZPW-UHFFFAOYSA-N;127.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166802;MM166802;C#CCNNC(=N)NO;WGZKFNOXFNUXRI-UHFFFAOYSA-N;128.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166803;MM166803;C#CCNNC(=O)NN;UFLXQHHDGXZZIY-UHFFFAOYSA-N;128.14;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166804;MM166804;C#CCONC(=N)CN;IIVRRHQYYFFFEN-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166805;MM166805;C#CCONC(=N)CO;QNVAOJAUDZSNOB-UHFFFAOYSA-N;128.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166806;MM166806;C#CCONC(=N)CF;DNLGTAIAJXCIDA-UHFFFAOYSA-N;130.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166807;MM166807;Cn1[nH]c(=NO)n(C)c1=O;SEJZIZNVDIYENF-UHFFFAOYSA-N;144.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166808;MM166808;Nn1c(F)cc(O)nc1=O;NONXMLWYOBMLCC-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166809;MM166809;C#CCONC(=N)NN;GOBUBDSBQHKRDD-UHFFFAOYSA-N;128.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166810;MM166810;C#CCONC(=N)NO;MLUFSDZQEJTFGZ-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166811;MM166811;C#CCONC(=O)NN;OHZZKSXGTSTJIN-UHFFFAOYSA-N;129.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166812;MM166812;C#CCONC(=O)NO;YIHGVJYPROURMM-UHFFFAOYSA-N;130.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166813;MM166813;C#CCCOC(=C)CC;AHWRUFKUPDRTBJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166814;MM166814;C#CCCOC(=C)CN;NICWTXBOOBFGLW-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166815;MM166815;C#CCCOC(=C)CO;AVXWGICWQNZMPU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166816;MM166816;C#CCCOC(=O)CC;YKJSGPUJXADWOB-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166817;MM166817;C#CCCOC(=O)CF;WQCBQYBJNDZQFG-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166818;MM166818;C#CCCOC(=O)NC;SRLDKSSCDDBALM-UHFFFAOYSA-N;127.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166819;MM166819;C=CC(=C)CCCCC;SEQMGTVQPVODRS-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166820;MM166820;C=CC(=C)CCCCN;HGMGUDFOOVSADG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166821;MM166821;COc1cc(C)n(N)c1O;HVIBLCXWMUPSID-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166822;MM166822;C=CC(=C)CCCCF;XIOCSHYWMSFLAD-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166823;MM166823;C=C(C=O)CCCCC;LDGVIXYITWDQFB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166824;MM166824;C=C(C#N)CCCCC;JCZROHDZDTWQSK-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166825;MM166825;C=Cc1[nH]cc(N=N)c1F;QGBCQXAHHDOAMY-UHFFFAOYSA-N;139.13;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166826;MM166826;C=C(C=O)CCCCF;HGMOIHQBGNPYPE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166827;MM166827;C=C(C#N)CCCCF;SHSDGDKPXFWMLF-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166828;MM166828;C=CC(=O)CCCCC;KLTVSWGXIAYTHO-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166829;MM166829;C=CC(=O)CCCCF;PGCDSNWXTYUJIM-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166830;MM166830;CCCCCC(=O)C=O;LGCRPSSTNIJLAY-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166831;MM166831;CCCCCC(=O)C#N;SIQNHAHQPWMWMO-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166832;MM166832;C=CC(=C)CCCNC;GBKRVVNRLFERGW-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166833;MM166833;CNCCCC(=O)C=O;GCNNDBLEJCPONT-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166834;MM166834;C=CC(=C)CCCOC;BIBSNKVGOOOVLL-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166835;MM166835;C=C(C=O)CCCOC;RCSCEQAMZFWCLT-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166836;MM166836;C=C(C#N)CCCOC;IPEGQUAJYGGMFD-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166837;MM166837;C=CC(=O)CCCOC;HLXNMZGNDQZKIJ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166838;MM166838;C=C(C#N)CCNCC;VKNXVVLPCMTIEM-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166839;MM166839;CCNCCC(=O)C=O;IRFGPTAXHIYXHV-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166840;MM166840;C=CC(=C)CCOCC;OJMPGZQGYPNXLG-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166841;MM166841;C=C(C=O)CCOCC;ZUDIODBGCVRQHB-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166842;MM166842;C=C(C#N)CCOCC;FTJKDQVTHHYMCD-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166843;MM166843;C=CC(=O)CCOCC;PMOJPHFAISAGLV-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166844;MM166844;C=C(C=O)CNCCC;BXZVREMQCMCGRQ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166845;MM166845;C=C(C=O)CNCCO;KBZFWZQVVJQBPF-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166846;MM166846;CC(O)CC(=O)NN;NQIAZZNHEZXHQK-UHFFFAOYSA-N;118.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166847;MM166847;C=CC(=C)COCCC;DIAGLZIFYWDPPN-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166848;MM166848;C=CC(=C)COCCN;DVGJWTIHGPVEDF-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166849;MM166849;C=CC(=C)COCCF;IGILZNTWMVKARN-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166850;MM166850;C=C(C=O)COCCC;JGPWSYSLVPPPEI-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166851;MM166851;C=C(C#N)COCCC;LIJQEHIQMATYOO-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166852;MM166852;C=CC(=O)COCCC;JWPUPEHPQMROKM-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166853;MM166853;C=CC(=O)COCCO;QECQJYLVTGKMON-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166854;MM166854;O=CC(=O)COCCO;MDRRSHVKCUHRFB-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166855;MM166855;N#CC(=O)COCCO;GPHMKOQEIKUXFN-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166856;MM166856;C=CC(=C)COCOC;DRLKWALMIXKUMK-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166857;MM166857;C=CC(=O)COCOC;XTEBTRCLXQMLJN-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166858;MM166858;C=CC(=N)NCCCC;BGNDNFJYGSNGHC-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166859;MM166859;CCCCN=C(N)C=O;NDTURYFWRRAGNK-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166860;MM166860;CC(O)CNNC=O;AIFNSBZEVQIUAG-UHFFFAOYSA-N;118.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166861;MM166861;CC1ON=CC1(C)O;HBHLKGCQTXQFEM-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166862;MM166862;CCCCNC(=O)C#N;GSOYVNJODXSFJP-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166863;MM166863;O=CC(=O)NCCCO;MIEWQVPNBYSYLQ-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166864;MM166864;N#CC(=O)NCCCO;CHJSAYIERKNYKV-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166865;MM166865;CNCCN=C(N)C=O;UZDAOUICQKNPHP-UHFFFAOYSA-N;129.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166866;MM166866;CNCCNC(=N)C#N;WMNVUSNXXPGHST-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166867;MM166867;CNCCNC(=O)C=O;RGXBWFKEVNDJBX-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166868;MM166868;CNCCNC(=O)C#N;KTJDWSKXRXLSGY-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166869;MM166869;C=CC(=N)NCCOC;YRQCMKBNGHPZCQ-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166870;MM166870;COCCC(=O)NN;HTNUUDFQRYBJPH-UHFFFAOYSA-N;118.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166871;MM166871;C=CC(=N)NNCCC;XXNQFONSYAURFM-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166872;MM166872;C=CC(=N)NNCCN;DLDRIHOJALWKRA-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166873;MM166873;C=CC(=N)NNCCO;WKYCAJYIZAQRJD-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166874;MM166874;C=CC(=N)NNCCF;TZGBLZZVOYHXBW-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166875;MM166875;COCCNNC=O;FYXDEODUWUBQEM-UHFFFAOYSA-N;118.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166876;MM166876;C=CC(O)CNNC=O;SEXXWWNAPDBEEQ-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166877;MM166877;NNC(=O)CC=CCO;XGYOPSDFUQSQSK-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166878;MM166878;COC=CCC(=O)NN;SPARIDHCJATOEX-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166879;MM166879;C=NNC(C)C(O)C=O;IBDXUTFCLMIMFH-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166880;MM166880;C=CC(=N)NOCCC;NMEMVVAUPMZMIN-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166881;MM166881;C=CC(=N)NOCCO;USHKGSOUQPGIOP-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166882;MM166882;C=NN1CC(=O)C(O)C1;KNHDARBJTYYUTA-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166883;MM166883;C=C1CCN(N)C(=O)N1;YHLKSQQIIWYFJK-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166884;MM166884;C=CC(=O)NOCCC;XWNYEAXPHNDEOT-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166885;MM166885;C=CC(=O)NOCCO;ZGRJSXCEADTMSQ-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166886;MM166886;C=CCn1cc(O)c(C)n1;FMGGYYUQWLBNMY-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166887;MM166887;Cn1[nH]c(O)nc(=O)c1=N;DSHBPQZPLQGUNS-UHFFFAOYSA-N;142.12;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166888;MM166888;C=CC(=C)OCCCC;XCCYSLQYQQSNAN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166889;MM166889;C=CC(=C)OCCCN;GJGDGWNIZKJHEA-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166890;MM166890;C=CC(=C)OCCCO;FXWUSFTWQYAXJX-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166891;MM166891;C=CC(=C)OCCCF;RABRJVRDOCRNPB-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166892;MM166892;C=C(C=O)OCCCC;HWOCOELJTFMTRT-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166893;MM166893;C=C(C#N)OCCCC;OKWZLGRVRIJPKN-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166894;MM166894;C=C(C=O)OCCCO;ACZJCDWQTGFZFN-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166895;MM166895;C=CC(=O)OCCCC;CQEYYJKEWSMYFG-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166896;MM166896;C=CC(=O)OCCCN;OTKLRHWBZHQJOP-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166897;MM166897;C=CC(=O)OCCCO;QZPSOSOOLFHYRR-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166898;MM166898;C=CC(=O)OCCCF;WLEILXOWLYRDKA-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166899;MM166899;CCCCOC(=O)C#N;IDRIISKVLZHPDP-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166900;MM166900;O=CC(=O)OCCCO;RKYXFLUICIOTKR-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166901;MM166901;N#CC(=O)OCCCF;JCDMPXFPHASBAJ-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166902;MM166902;C=CC(=C)OCCNC;LDKYTONJVBGUGN-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166903;MM166903;C=C(C=O)OCCNC;PVNFLMNKGRHMMG-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166904;MM166904;C=C(C#N)OCCNC;OEVBRSHBBLRJRF-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166905;MM166905;C=CC(=O)OCCNC;ULEVTQHCVWIDPC-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166906;MM166906;CNCCOC(=O)C=O;YRDQQVULEBIMNH-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166907;MM166907;C=CC(=C)OCCOC;ZBHGTQPOWADRJR-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166908;MM166908;C=C(C#N)OCCOC;WUJLMZQLBHALIZ-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166909;MM166909;C=CC(=O)OCCOC;HFCUBKYHMMPGBY-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166910;MM166910;COCCOC(=O)C=O;FZWNBJFOCGIBIK-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166911;MM166911;C=CC(=C)OCOCC;WNXLKRNSOALWPT-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166912;MM166912;C=C(C#N)OCOCC;VPEVPZYKVHPQDN-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166913;MM166913;C=CC(=O)OCOCC;SZPUDSQPVUIVKC-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166914;MM166914;C=CCCCC(=C)C=C;VPSGNUSPERBOFO-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166915;MM166915;C=CC(=C)CCCC=O;SCONTGDYQFSTAO-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166916;MM166916;C=CC(=C)CCCC#N;INFGNJLHCLJBEP-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166917;MM166917;C=CCCCC(=C)C=O;CZEGJNUXOXZUDR-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166918;MM166918;C=CCCCC(=C)C#N;OAABYMWHPIBAMH-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166919;MM166919;C=C(C=O)CCCC=O;WXBOZDGRWQVAMW-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166920;MM166920;C=CCCCC(=O)C=C;NYVQBQSUDYSKAM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166921;MM166921;C=CC(=O)CCCC=O;VUNCTEVZVODTAT-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166922;MM166922;C=CCCCC(=O)C=O;ZDLREYINAZNVJD-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166923;MM166923;C=CCCCC(=O)C#N;FOBFEKXGDBZGSD-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166924;MM166924;O=CCCCC(=O)C=O;JMICTKDLLLHLOO-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166925;MM166925;N#CCCCC(=O)C#N;HYTJCDIIRHSNMF-UHFFFAOYSA-N;122.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166926;MM166926;C=CC(=C)CCNC=N;FYRFQNQOXYPWIA-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166927;MM166927;CC1C=CC(C#N)=C1N;QNYDSJKRVVYPRR-UHFFFAOYSA-N;120.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166928;MM166928;N=CNCCC(=O)C=O;CDHVQNVXUBYUAM-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166929;MM166929;N#CC(=O)CCNC=O;PRLLDCIVJCEPEV-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166930;MM166930;C=CC(=C)CCNN=C;RKBBGDIQVIUKTD-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166931;MM166931;C=COCCC(=C)C=C;NIKZUQSOBCEJON-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166932;MM166932;C=CC(=C)CCOC=O;IFICGZTXGNRMMU-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166933;MM166933;C=COCCC(=C)C=O;WUOWTDUHRBAEHL-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166934;MM166934;C=COCCC(=C)C#N;YTQFEOFPUGFIKP-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166935;MM166935;C=C(C#N)CCOC=O;SPBRHAUUXDLFLI-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166936;MM166936;C=COCCC(=O)C=C;BXKYXTPPIUXREM-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166937;MM166937;C=CC(=C)CCON=C;JWYITLBXYJUKSQ-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166938;MM166938;C=NOCCC(=C)C#N;BDKXISKUHSNGDK-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166939;MM166939;C=CCNCC(=C)C=O;SGHLAVLIWCUVPQ-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166940;MM166940;C=CC1NC1C(O)C=O;XJVAPXXLWGATCO-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166941;MM166941;C=C(C#N)CNCC#N;SVAMRJGLMVCOBN-UHFFFAOYSA-N;121.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166942;MM166942;CC1C(C(O)C=O)N1C;NGUPSZJSNPPKJU-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166943;MM166943;CC(C)(O)CNC(=O)NN;PGBAXTAMFWAUJO-UHFFFAOYSA-N;147.18;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166944;MM166944;C=CC(C)(C)NNC(N)=O;QGBHMXPIMVGFJJ-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166945;MM166945;C=CC(=C)CNNC=N;SODSGZKNRWSICL-UHFFFAOYSA-N;125.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166946;MM166946;CCCC(F)CNNC=O;SNPFGUQLVAAJGN-UHFFFAOYSA-N;148.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166947;MM166947;C=C(C=O)CNNC=N;OXWZJHKYLDVNMK-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166948;MM166948;C=C(C#N)CNNC=N;BVBKECRPFALGMQ-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166949;MM166949;C=COC(=C)C(O)C=NN;HVKYUTDVUWFYLG-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166950;MM166950;C=C(C#N)CNNC=O;LTEHISKIRJLXPN-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166951;MM166951;C=CC(=O)CNNC=O;OKPKEOJMACSDHH-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166952;MM166952;N#CC(=O)CNNC=N;XNRIBXPKKBGMNJ-UHFFFAOYSA-N;126.12;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166953;MM166953;O=CNNCC(=O)C=O;SIAFPMLPFYTCIE-UHFFFAOYSA-N;130.1;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166954;MM166954;C=CCOCC(=C)C=C;LSPUQLNDVRDVNL-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166955;MM166955;C=CC(=C)COCC#N;JLOFCKMONOGISL-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166956;MM166956;C=CCOCC(=C)C=O;YBKQKMJRLPFPSD-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166957;MM166957;C=C(C#N)COCC=O;SSPZMJHBRXPMPM-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166958;MM166958;C=C(C#N)COCC#N;PBHWJVJCFFCOLA-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166959;MM166959;C=CCOCC(=O)C=C;RCYNGGOPRLDMNJ-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166960;MM166960;C=CC(=C)CONC=N;HRBJPJHTJCXLIA-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166961;MM166961;C=C(C=O)CONC=O;OYHUSXSWFUQZTP-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166962;MM166962;C=C(C#N)CONC=O;PMTVJYCLGRJJRF-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166963;MM166963;C=CC(=O)CONC=N;MXTIHDIXCXDWDA-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166964;MM166964;C=CC(=O)CONC=O;HPKUKLUNBWJPFS-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166965;MM166965;N#CC(=O)CONC=O;HJOOXIAEEXGWJU-UHFFFAOYSA-N;128.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166966;MM166966;C=CCCNC(=N)C=C;GYDBPQRWTXKDRZ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166967;MM166967;C=CC(=N)NCCC=O;DNIHZNUEMILMBC-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166968;MM166968;CNN=c1oc(=N)n(O)o1;VGTORIKSMZDOCD-UHFFFAOYSA-N;146.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166969;MM166969;C=NN=c1oc(=N)n(O)o1;HSJFNLYDXUYWGU-UHFFFAOYSA-N;144.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166970;MM166970;C=CCCNC(=O)C#N;RZNADMWXVDMHFP-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166971;MM166971;C=CC(=N)NNCC=O;CPBVNDVHLYNUKS-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166972;MM166972;C=CC(=N)NNCC#N;ZRYWTGYBIDYFFI-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166973;MM166973;N=c1oc(=O)c(=O)on1O;CGXNMOOPZRWCMC-UHFFFAOYSA-N;146.06;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166974;MM166974;CC(O)c1nc(=N)n(O)o1;NJNQNTOVHGDPKX-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166975;MM166975;CCC(O)CNC(=O)NN;BRTUPSHVYNUFEU-UHFFFAOYSA-N;147.18;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166976;MM166976;COC(C)CNC(=O)NN;GUWOHSKNQUDPDE-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166977;MM166977;C#CC(O)COC(C)=NN;KIENDUHOWYWTPS-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166978;MM166978;CCNNC(=O)CCCO;FESSUCLBPCKKND-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166979;MM166979;C=CC(=O)NNCC#N;BLHMJGFDBPJNLT-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166980;MM166980;O=CCNNC(=O)C=O;WBVHDHOLMJDCGW-UHFFFAOYSA-N;130.1;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166981;MM166981;N#CCNNC(=O)C=O;YILPOSBOXDXCSZ-UHFFFAOYSA-N;127.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166982;MM166982;C=CCONC(=N)C=C;VHTYTHQSBUWLMY-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166983;MM166983;C=CC(=N)NOCC#N;PSCNXVKCFVCUSK-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166984;MM166984;CC=NNC(C)C(O)C=O;SFWZLKMVWIOSFW-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166985;MM166985;CCC(=O)NNCCCO;RNSPGMTXRZJMPY-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166986;MM166986;C#CC(O)COC=NNC;DIRAPMXZRUSNGN-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166987;MM166987;C=CC(=O)NOCC=O;BSLQKZLCRZWHLB-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166988;MM166988;C=CC(=O)NOCC#N;QXQGFHMEWNJRDY-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166989;MM166989;C=Nn1ncc(C)c1O;DMKKEEDJWOPTOH-UHFFFAOYSA-N;125.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166990;MM166990;C=CCCOC(=C)C=C;MKNVAUMUWTXTFM-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166991;MM166991;C=CC(=C)OCCC=O;UAFRPCUZKPFOMB-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166992;MM166992;C=CCCOC(=C)C#N;IFNYQBHKKCOMOO-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166993;MM166993;C=CCCOC(=O)C=C;KHCUIHPWMFJSHA-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166994;MM166994;C=CC(=O)OCCC=O;RMPDQTMUVLKZCJ-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166995;MM166995;C=CC(=O)OCCC#N;AEPWOCLBLLCOGZ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166996;MM166996;C=CCCOC(=O)C=O;IXSDWEHDQZHVMH-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166997;MM166997;C=COCOC(=C)C=C;VALUNWSLAKDHOC-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166998;MM166998;C=CC(=C)OCOC=O;IUKJLHWTUQMBTG-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM166999;MM166999;C=COCOC(=C)C=O;NWAXQIOYTGRMBA-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167000;MM167000;C=COCOC(=C)C#N;CSZJDULVRJHIRC-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167001;MM167001;C=COCOC(=O)C=C;VHEBMCIZUGNEFV-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167002;MM167002;C=CC(=O)OCOC=O;YQUDTCKJVKRCSB-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167003;MM167003;O=COCOC(=O)C=O;PZQYKSSVBQMENB-UHFFFAOYSA-N;132.07;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167004;MM167004;C=CC(=C)OCON=C;CTNLOICUQAQSFM-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167005;MM167005;C=CC(=O)OCON=C;HAWZCOKLMJTIDS-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167006;MM167006;C#CCCCC(=C)C=C;CMWOYBMNTMFOOY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167007;MM167007;C#CCCCC(=C)C=O;FSXVHAAIVGLVII-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167008;MM167008;C#CCCCC(=C)C#N;VVSWFXXXMMRMRA-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167009;MM167009;C#CCCCC(=O)C=C;XBMXBKKGQDPODH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167010;MM167010;C#CCCCC(=O)C#N;MSFMNQSQDVSAKT-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167011;MM167011;C#CCCNC(=N)C=C;JOTNODIOHSNZHH-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167012;MM167012;C#CCCNC(=N)C=O;JTLPEGZCASUJJH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167013;MM167013;NN=CC=CCC(=O)NN;JULNTPJDLPHNRF-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167014;MM167014;C#CCCNC(=O)C=O;WHVOHYDDIFPFJB-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167015;MM167015;C#CCCNC(=O)C#N;CUADHHURQDWKFK-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167016;MM167016;C#CCNNC(=N)C=C;WHNJRCHVMXZOBD-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167017;MM167017;CCC(CCF)C(=O)NN;QHKVZAZFCXNPCT-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167018;MM167018;C#CCC(C=C)C(=O)NN;AZRJYOZZLXAIDG-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167019;MM167019;C#CCNNC(=O)C=O;QHDHEGPQHJCHJM-UHFFFAOYSA-N;126.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167020;MM167020;C#CCONC(=N)C=C;YDCUOQCWAPIXMX-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167021;MM167021;C#CCCOC(=C)C=C;QSIYEIDHUVNHTD-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167022;MM167022;C#CCCOC(=C)C=O;WPEXHBHDOOTQKE-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167023;MM167023;C#CCCOC(=C)C#N;YGFDHISZFRKRER-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167024;MM167024;C#CCCOC(=O)C#N;ZIBUAPQUUFPEPB-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167025;MM167025;C#CC(=C)CCCCC;QEAWHPCLSHXTPB-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167026;MM167026;C#CC(=C)CCCCN;ATHPOGGWWPSPAI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167027;MM167027;CCN(CCCO)NC=O;CRMBGGBAFCXGCD-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167028;MM167028;C#CC(=C)CCCCF;XTFYNFBFJAITCI-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167029;MM167029;C#CC(=O)CCCCC;OIWBNCGEFFHTNG-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167030;MM167030;N=c1n(O)c(=N)n(O)n1O;MQFVLLXFHWWMSB-UHFFFAOYSA-N;147.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167031;MM167031;C#CC(=O)CCCCF;TURBSBZLKVOZQE-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167032;MM167032;C#CC(=C)CCCOC;VTIBHOYPNXSMAY-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167033;MM167033;C#CC(=C)CCNCC;IFUJSDGBLWOUBI-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167034;MM167034;C#CC(=C)CCOCC;KPLUCLRTLIKTKU-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167035;MM167035;C#CC(=O)CCOCC;SRQAVZRCTDJOTH-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167036;MM167036;C#CC(=C)CNCCC;PWGHMRZCTWETQG-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167037;MM167037;C#CC(=C)CNCCN;JULWVZQVSVOKOS-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167038;MM167038;C#CC(=C)CNCCO;ZDUBTYQLCHXCGO-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167039;MM167039;C#CC(=C)COCCC;VVZQPODDYHQGPV-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167040;MM167040;C#CC(=C)COCCN;SJARBTAURVYIIF-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167041;MM167041;C#CC(=O)COCCC;ZAUYTGJBCATYSN-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167042;MM167042;C#CC(=O)COCCO;WNTDVFOMWCCSRJ-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167043;MM167043;C#CC(=C)COCOC;MSDSZRRIEUTUPC-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167044;MM167044;C#CC(=O)COCOC;IAXKKPGSCXZMGT-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167045;MM167045;C#CC(=N)NCCCC;DVJIJKMMRRKQKY-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167046;MM167046;C#CC(=N)NCCCN;AIXNDRFLZZJFOQ-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167047;MM167047;C#CC(=N)NCCCO;SGBLFGLRYIVVBF-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167048;MM167048;C#CC(=O)NCCCN;DPELKLCOQVYIIU-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167049;MM167049;C#CC(=O)NCCNC;GUTMBUYQGYCVRQ-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167050;MM167050;C#CC(=N)NCCOC;YEKOKEJQOYPMSJ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167051;MM167051;C#CC(=O)NCCOC;LADROBBDBAECMN-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167052;MM167052;C#CC(=N)NNCCO;YGUNHHKPMBMLAH-UHFFFAOYSA-N;127.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167053;MM167053;Cc1c[nH]c(C#CC#N)n1;PEGPGZAKOZFGQT-UHFFFAOYSA-N;131.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167054;MM167054;C#CC(=O)NNCCN;PBKKLGDRJFJNDA-UHFFFAOYSA-N;127.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167055;MM167055;C#CC(=O)NNCCO;ZCBYRAQDIQCMKG-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167056;MM167056;C#CC(=O)NNCCF;KQSRQIJELXINPN-UHFFFAOYSA-N;130.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167057;MM167057;C#CC(=O)NOCCO;QRUXJDNXVNQAHS-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167058;MM167058;C#CC(=C)OCCCC;SRDZTHHJDMEEND-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167059;MM167059;C#CC(=C)OCCCN;BUBKJBWEGFVLJB-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167060;MM167060;C#CC(=O)OCCCC;MVRXKXMBNDEGTE-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167061;MM167061;C#CC(=O)OCCCN;RJUXYWWZLNZXLH-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167062;MM167062;C#CC(=C)OCCOC;CVFFCCIDHMBUMN-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167063;MM167063;C#CC(=C)OCOCC;QDOAHTQUTWTXAL-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167064;MM167064;C#CC(=C)CCCC=C;RHQJVOKTOMNZGF-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167065;MM167065;C#CC(=C)CCCC=O;XGELELZRZHYOIR-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167066;MM167066;C#CC(=O)CCCC=C;XIHRFTRZKMFQJQ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167067;MM167067;C#CC(=C)CCNC=N;CCGPPFQZGPMHFX-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167068;MM167068;C#CC(=O)CCNC=N;XDYLZRUXGFWQAT-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167069;MM167069;C#CC(=O)CCNC=O;PUODSNGEYYKSSM-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167070;MM167070;C#CC(=C)CCNN=C;IDKPUDZWPDTIBZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167071;MM167071;C#CC(=C)CCOC=C;MUVYWZIZVIYMIP-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167072;MM167072;C#CC(=C)CCOC=O;MZZXYVUNBOZDLQ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167073;MM167073;C#CC(=O)CCOC=C;BEMYBBDHQHTRRP-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167074;MM167074;C#CC(=C)CCON=C;UJWCEKQKVRMKIF-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167075;MM167075;C#CC(=C)CNCC=C;COOWVWSPWPLRRC-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167076;MM167076;C#CC(=C)CNCC#N;JLKCDXHUMMLGGS-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167077;MM167077;C#CC(=C)CNNC=N;IOSXOMQJTYTORG-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167078;MM167078;C=CC(C#N)N=CNN=C;ZXRKGBLDLQWHBM-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167079;MM167079;C#CC(=O)CNNC=N;MHCJAFISMHSNRC-UHFFFAOYSA-N;125.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167080;MM167080;C#CC(=C)COCC=C;XFCDTLCBACRWDO-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167081;MM167081;C#CC(=C)COCC=O;BXNRJWMSDHSQTG-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167082;MM167082;C#CC(=C)COCC#N;JJRRWPCUHWIPBL-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167083;MM167083;C#CC(=O)COCC=C;FEGHEPDBAZIIRB-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167084;MM167084;C#CC(=C)CONC=N;RHQNBIBOKKKTFA-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167085;MM167085;C#CC(=C)CONC=O;CJQGFOGPWCWOAB-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167086;MM167086;C#CC(=O)CONC=N;FEMSQXZOWYPKJP-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167087;MM167087;C#CC(=O)CONC=O;ONFFPNWYAIEZDV-UHFFFAOYSA-N;127.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167088;MM167088;C#CC(=N)NNCC=C;BQILQJQOOGKCCN-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167089;MM167089;C#CC(=N)NNCC#N;ANZOBJHYUZFQIP-UHFFFAOYSA-N;122.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167090;MM167090;C#CC(=O)NNCC#N;LEQIBPHGMGNWSN-UHFFFAOYSA-N;123.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167091;MM167091;C#CC(=C)OCCC=C;NODJAQGLTQZHEO-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167092;MM167092;C#CC(=C)OCCC=O;RCVWYAIBCCFLFT-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167093;MM167093;C#CC(=O)OCCC=C;DRPIKEBBGKSQTH-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167094;MM167094;C#CC(=O)OCCC=O;DGFDTULTWPUYIF-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167095;MM167095;C#CC(=C)OCOC=C;SJGVWQGOUWHZDU-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167096;MM167096;C#CCCCC(=C)C#C;UOVNBWPKSWUYGS-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167097;MM167097;C#CCCCC(=O)C#C;NQFIKDZTCRADBE-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167098;MM167098;C#CCOCC(=C)C#C;XQAWFMNZIHVEIM-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167099;MM167099;C#CCCNC(=N)C#C;OMOLWLGQJLVKQL-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167100;MM167100;C#CCCNC(=O)C#C;KDOUSIGWQDZEKV-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167101;MM167101;C#CCCOC(=C)C#C;QTENKYGUYLGUCW-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167102;MM167102;C#CCCOC(=O)C#C;WIRMAZKTNUNHMW-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167103;MM167103;CC=CCCC(C)CC;HEPIBBRYHVQTSF-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167104;MM167104;CCC(C)CCC=CF;KCIDMXHMPYYYHS-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167105;MM167105;CC=CCCC(C)CN;CCVZTHSFBUKLFG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167106;MM167106;CC(CN)CCC=CF;KPUWMYKSKPHESS-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167107;MM167107;NN=CC(O)C(CO)=NN;UYKKRRPIRICFPJ-UHFFFAOYSA-N;146.15;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167108;MM167108;CC=CCCC(C)CF;UMZPCZBNXADRGE-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167109;MM167109;CC(CF)CCC=CF;UETRRSXYOUAHOZ-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167110;MM167110;CC=CCCC(N)CC;XSJHNAMPLAXWAH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167111;MM167111;CCC(N)CCC=CF;XLLMPXJISCZDEO-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167112;MM167112;CC=CCCC(N)CN;STNVZMROVWCTHC-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167113;MM167113;NCC(N)CCC=CF;UADKAKMIIHYDDV-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167114;MM167114;CC=CCCC(N)CO;IUPIJMUEMDEBKC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167115;MM167115;CC=CCCC(N)CF;VWRINZYEUTYCJO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167116;MM167116;CCn1cc(CC#N)cn1;MDLILOGEFQBDLL-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167117;MM167117;CC=CC1NC1C(O)C=O;OPJBTPDELLRPNR-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167118;MM167118;CC=CCCC(O)CN;VDKXDEOWHDLFQU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167119;MM167119;CC=CCCC(O)CO;ZXOLKTBXAAMYAL-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167120;MM167120;CC=CCCC(O)CF;VALZXJSTNKSUTC-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167121;MM167121;OC(CF)CCC=CF;RNLQHGGGHVIXCR-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167122;MM167122;CC=CCCC(F)CC;QTMUVIOTNDGDFL-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167123;MM167123;CCC(F)CCC=CF;HXSXBYUWGSNPAD-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167124;MM167124;CC=CCCC(F)CN;RHKWCOMDXNPZSC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167125;MM167125;CC=CCCC(F)CO;VOWAXXSAJOUJTQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167126;MM167126;OCC(F)CCC=CF;MRGJWHWEEVGFQE-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167127;MM167127;CC=CCCC(F)CF;VNORDHLBKXXYRP-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167128;MM167128;FC=CCCC(F)CF;AFKMASGLCUZZQE-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167129;MM167129;CCC(C)CCC=NN;BZKRQSUAPHGAIX-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167130;MM167130;CCOC(=O)NN;VYSYZMNJHYOXGN-UHFFFAOYSA-N;104.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167131;MM167131;CC(CF)CCC=NN;KKRGYZWEOZFGKQ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167132;MM167132;NCC(N)CCC=NO;KBAJMXGWSIXCDO-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167133;MM167133;NC(CO)CCC=NO;DENYSGMRMRDUNI-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167134;MM167134;NCC(O)CCC=NO;DZCXDIZMEJHBKL-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167135;MM167135;CC(=NN)C(O)CF;XXQQFBAKHGYOAL-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167136;MM167136;NCC(F)CCC=NO;POANZOJMFKJLLL-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167137;MM167137;NN=CCCC(F)CF;OMAPMPDTTHTNKQ-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167138;MM167138;ON=CCCC(F)CF;ZUDVBGURCCUUGY-UHFFFAOYSA-N;137.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167139;MM167139;CC=CCCC(C)NC;XHXKYRYYOVOOHI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167140;MM167140;CNC(C)CCC=CF;IHAMQVSDXDDRSD-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167141;MM167141;CNC(C)CCC=NN;SFIZGMSZYJVSNK-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167142;MM167142;CNC(C)CCC=NO;IZBKKZNMIJKZTD-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167143;MM167143;CC=CCCC(C)OC;DDIXKCSPMDAEEJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167144;MM167144;COC(C)CCC=CF;PPWDHWHXSQBIDL-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167145;MM167145;COC(C)CCC=NN;XUWYOSGBSCNJJT-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167146;MM167146;COC(C)CCC=NO;XJKDHDVIKGGMOP-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167147;MM167147;CCC(C)CN=CNN;OBJOUWPRVQHQCZ-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167148;MM167148;CN=CNCC(C)CN;IGHUXFWMVWWLDR-UHFFFAOYSA-N;129.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167149;MM167149;CN=CNCC(C)CO;QDBYBDMHNXTWFW-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167150;MM167150;CC(CO)CN=CNN;HYEFHNISYFSKIV-UHFFFAOYSA-N;131.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167151;MM167151;CN=CNCC(C)CF;CYGVDJDXHOFXQA-UHFFFAOYSA-N;132.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167152;MM167152;CC(CF)CN=CNN;AKUGQNXQRPPBNH-UHFFFAOYSA-N;133.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167153;MM167153;CN=CNCC(N)CN;DSFBEZDELHCLFE-UHFFFAOYSA-N;130.2;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167154;MM167154;CN=CNCC(N)CO;BOANKFYUTNBLDJ-UHFFFAOYSA-N;131.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167155;MM167155;CN=CNCC(N)CF;UURJBCASYJTUSG-UHFFFAOYSA-N;133.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167156;MM167156;CN=CNCC(O)CF;PZRFXJDGIPWQLN-UHFFFAOYSA-N;134.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167157;MM167157;CCC(F)CN=CNC;BVKVBGVGKRDIGR-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167158;MM167158;CCC(F)CN=CNN;KWNRFRJUNQWMPA-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167159;MM167159;CN=CNCC(F)CO;YXNUZDVFOGOBDB-UHFFFAOYSA-N;134.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167160;MM167160;CN=CNCC(C)NC;ZHFSNBIUVBNXLA-UHFFFAOYSA-N;129.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167161;MM167161;CNC(C)CN=CNN;MFDTXMXDYQHPDF-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167162;MM167162;CNC(C)CN=CNO;QBHYBYNRBLQTDN-UHFFFAOYSA-N;131.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167163;MM167163;COC(C)CN=CNN;AVHJLODPTCRZQQ-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167164;MM167164;CC=NNCC(N)CC;FWUCQGXEBMMITD-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167165;MM167165;CC=NNCC(N)CN;ZYOVJPIITNZLCT-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167166;MM167166;CC=NNCC(N)CO;FSDUSPGLTWWZSF-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167167;MM167167;CC=NNCC(O)CN;WLDCHTLKQYNUMC-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167168;MM167168;CC=NNCC(F)CN;KADYHYBVGVTEFG-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167169;MM167169;CC=NNCC(F)CF;HUQOFUWICIXVTE-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167170;MM167170;CC=COCC(C)CC;XHCDVUMZRKTJBT-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167171;MM167171;CCC(C)COC=CF;FVORLIZYWMVFOQ-UHFFFAOYSA-N;132.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167172;MM167172;CC=COCC(C)CN;IYUAUCZZVIVTGC-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167173;MM167173;CC=COCC(C)CO;QAHLXWXTZGKIRC-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167174;MM167174;CC(CO)COC=CF;FBIWHFRSUYDKLB-UHFFFAOYSA-N;134.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167175;MM167175;CC=COCC(N)CC;WZPMJMVVCWEYDO-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167176;MM167176;CCC(N)COC=CF;UFPQCRAEVILDIG-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167177;MM167177;CC=COCC(N)CN;OGLKIEDAUGJADC-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167178;MM167178;NCC(N)COC=CF;HQFPMDMJJHOISM-UHFFFAOYSA-N;134.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167179;MM167179;CC=COCC(N)CO;JPIAMQXIIQPROU-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167180;MM167180;CC=COCC(N)CF;DGVLGUKJOCPYBS-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167181;MM167181;NC(CF)COC=CF;FWXVFBGZBFSLNR-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167182;MM167182;CC=COCC(O)CC;KTKZGGUPPMYZJN-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167183;MM167183;CCC(O)COC=CF;JUTHHGPYWAVJAA-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167184;MM167184;CC=COCC(O)CO;CRZYFVPBJDWHEX-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167185;MM167185;OCC(O)COC=CF;SNQBAAAEBKKSBR-UHFFFAOYSA-N;136.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167186;MM167186;CC=COCC(F)CN;WKWJLAJFHFCAIJ-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167187;MM167187;NCC(F)COC=CF;JHZICVBDAGILEX-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167188;MM167188;CC=COCC(F)CO;FDHSGZCWKCPMHG-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167189;MM167189;CC=COCC(F)CF;YKKBLQOVFWDLAO-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167190;MM167190;N=Cn1nnc(N)n1;LUGQMHRTRJHNJX-UHFFFAOYSA-N;112.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167191;MM167191;CCC(C)COC=NO;WIALGSJITCMWNM-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167192;MM167192;CC(CN)COC=NO;YCDJTFDOKGCJIB-UHFFFAOYSA-N;132.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167193;MM167193;CC(CO)COC=NO;VMEJUOKVFNJGRL-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167194;MM167194;NCC(N)COC=NO;SXVMRGDEUIRRND-UHFFFAOYSA-N;133.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167195;MM167195;NC(CO)COC=NO;ZLOUGTMCWHRUJZ-UHFFFAOYSA-N;134.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167196;MM167196;CCC(O)COC=NO;FLLHKVZJSFLITG-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167197;MM167197;NCC(O)COC=NO;ZWNMUIGPKFHNEM-UHFFFAOYSA-N;134.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167198;MM167198;N=c1n(N)nnn1O;OSGVMHRRNPERPG-UHFFFAOYSA-N;116.08;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167199;MM167199;OCC(O)COC=NO;KNAJLVJMZBADLX-UHFFFAOYSA-N;135.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167200;MM167200;C=NOC1C(O)C1O;ROZDGJMAROTCIV-UHFFFAOYSA-N;117.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167201;MM167201;ON=COCC(O)CF;LOWNICIILWDTIA-UHFFFAOYSA-N;137.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167202;MM167202;CN1CC1C(O)C=O;APODGKJAPLIHER-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167203;MM167203;C=CC(O)CC(=O)NN;BCLYZGRAXBYNLA-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167204;MM167204;CC=COCC(C)NC;HIKRSDPQMYASIP-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167205;MM167205;CNC(C)COC=CF;QVBPYMLCQQQMDF-UHFFFAOYSA-N;133.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167206;MM167206;CNC(C)COC=NO;RBCQISGIJSESSI-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167207;MM167207;CC=COCC(C)OC;WZAZMIGWPNNZAX-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167208;MM167208;COC(C)COC=CF;RSELFDRGPBHZIO-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167209;MM167209;COC=C(C)C(=O)NN;GZFAJLOOZNPFJO-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167210;MM167210;CC=NOCC(C)CC;AIURHLAVVDODRO-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167211;MM167211;N=c1oc(CO)nn1O;LZRJBMLRVBISKP-UHFFFAOYSA-N;131.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167212;MM167212;CC=NOCC(C)CF;SBCPYPFAAAVGHS-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167213;MM167213;CC=NOCC(N)CC;NZKYSSMVAQUWTO-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167214;MM167214;Cn1cc(CC#N)cn1;OZAQPNNARZFABP-UHFFFAOYSA-N;121.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167215;MM167215;C=C(F)C(O)C1CN1C;ONOSXDADDVTUJV-UHFFFAOYSA-N;131.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167216;MM167216;CC=NOCC(F)CC;JMZJLWKHOVEMLD-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167217;MM167217;CC=NOCC(F)CF;ZGSORZTYXKKNSS-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167218;MM167218;CC=NOCC(C)NC;NKWNKNSDINWNAL-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167219;MM167219;CC=NOCC(C)OC;SHMFGOIUQNYKCZ-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167220;MM167220;CC=CCNC(C)CC;VMAILCDGIOCXSV-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167221;MM167221;CCC(C)NCC=CF;HAPURYGJVNFBMH-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167222;MM167222;CC=CCNC(C)CN;IHCVPOAERIMLCC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167223;MM167223;CC=CCNC(C)CO;WANUXEWQLAGVBY-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167224;MM167224;CCC(C)NCC=NO;FMTCZCRFBHSGHI-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167225;MM167225;CN=CNNC(C)CN;QURVPOPVKBBRKN-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167226;MM167226;CN=CNNC(C)CO;JHYFLRHVMPZZIN-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167227;MM167227;CC=CCOC(C)CC;PRPCVDBCQNPYBB-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167228;MM167228;CCC(C)OCC=CF;ZWRFHJRLYJCTNL-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167229;MM167229;CC=CCOC(C)CN;GJZNHPWPNVKIGM-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167230;MM167230;CC(CN)OCC=CF;WBUFVTBULBGYCP-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167231;MM167231;CC=CCOC(C)CO;HNCZPKIKDVYOOE-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167232;MM167232;CC=CCOC(C)CF;KJHMLZFQBJKUBW-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167233;MM167233;CCC(C)OCC=NN;LUIILLPFZQCOLF-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167234;MM167234;COc1nc(=N)on1O;VFIWXKSNPKJVLB-UHFFFAOYSA-N;131.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167235;MM167235;CC(CO)OCC=NO;DCECULIJYYKCQM-UHFFFAOYSA-N;133.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167236;MM167236;CC=CCOC(C)OC;ZAQXMVVVUCITHV-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167237;MM167237;COC(C)OCC=CF;SLYIISBRYJOPNN-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167238;MM167238;COC(C)OCC=NN;BOYIBLCPUIVLHQ-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167239;MM167239;COC(=NN)NNC=O;RTGMTAKPJCHHBX-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167240;MM167240;CC=CCCN(C)CC;FSDRWAQGUPBPCD-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167241;MM167241;CCN(C)CCC=CF;ZGWIMAFQBQYKJK-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167242;MM167242;C=CC(C)CCC=CC;NXUXXYSXZBJSIN-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167243;MM167243;C=CC(C)CCC=CF;BGKNLHHORQQCHN-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167244;MM167244;CC=CCCC(C)C=O;VNHCCMKKBXMUGE-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167245;MM167245;CC=CCCC(C)C#N;YHMBBNLCUPRGNH-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167246;MM167246;CC(C=O)CCC=CF;DDYPBRJEAAMULV-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167247;MM167247;CC(C#N)CCC=CF;MECSMKPMIDYJOJ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167248;MM167248;C=CC(N)CCC=CC;FPLBNBXLJDFKFK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167249;MM167249;C=CC(N)CCC=CF;RBKDOTSRFJALRI-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167250;MM167250;CCN1CC1C(O)C=O;LIWASUDEUGMLHM-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167251;MM167251;CN(C(=O)NN)C1CC1;IUYMUSNQUUKNAB-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167252;MM167252;CC=CCCC(O)C#N;JNSWYEORLPBBRL-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167253;MM167253;N#CC(O)CCC=CF;JKZUOMUFHYKNPN-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167254;MM167254;C=CC(F)CCC=CC;BXUIEEFKIKFOLN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167255;MM167255;C=CC(F)CCC=CF;MMZWYXWPKZZBSU-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167256;MM167256;CC=CCCC(F)C=O;SYPJGLUXYUBFSN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167257;MM167257;CC=CCCC(F)C#N;RADHXWQIUPTVBC-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167258;MM167258;N#CC(F)CCC=CF;BENNGJPZPZBSNX-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167259;MM167259;C=CC(C)CCC=NN;YKBDOVBURMYXEF-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167260;MM167260;C=CC(C)CCC=NO;FFVQFZYKVGVBJV-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167261;MM167261;CC(C=O)CCC=NO;PXGJADYTZLHXKU-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167262;MM167262;CC(C#N)CCC=NO;QYWIQSKCUGSTIO-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167263;MM167263;C=CC(F)CCC=NO;DLBMLXVIHUAQFD-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167264;MM167264;O=CC(F)CCC=NO;SIFDSTFCFCOYEQ-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167265;MM167265;C=CC(C)CNC=NC;VLCUIIGOKGKLRB-UHFFFAOYSA-N;126.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167266;MM167266;C=CC(C)CN=CNN;OIGCIYOMMWCGFD-UHFFFAOYSA-N;127.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167267;MM167267;CN=CNCC(C)C=O;XVJBDDKKRZKJJS-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167268;MM167268;C=CC(N)CNC=NC;FVJKFFKZOAKDEV-UHFFFAOYSA-N;127.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167269;MM167269;C=CC(O)CNC=NC;NOVOAGNOIKFFQK-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167270;MM167270;CC(C)(C=O)CNNC=O;PXQLDHGBMBYKQY-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167271;MM167271;CN=CNCC(O)C=O;NLZZWKFMFRQDFH-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167272;MM167272;CN=CNCC(O)C#N;NVLDWQIQQQKBAI-UHFFFAOYSA-N;127.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167273;MM167273;C=C(C)COC(=O)NNC;MUBMFASSGMDSSL-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167274;MM167274;CN=CNCC(F)C=O;XISJYJOKXOMJAX-UHFFFAOYSA-N;132.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167275;MM167275;CN=CNCC(F)C#N;OZWZGKVLHUDBRR-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167276;MM167276;CC1CC1(C)OC(=O)NN;YOFRLUFAVDKANZ-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167277;MM167277;C=C(C)CNNC(=O)OC;ZAEVFHYWQYLAPM-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167278;MM167278;C=CC=C(C)NC(=O)NN;VJRHNVLQMZCRPZ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167279;MM167279;C=CC(C)COC=CC;WICYACQJDWVSKC-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167280;MM167280;C=CC(C)COC=CF;DQROPQHOGZSCNO-UHFFFAOYSA-N;130.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167281;MM167281;CC=COCC(C)C=O;MHHNUAKQVKKQHL-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167282;MM167282;CC=COCC(C)C#N;BPJLWZLKFNDELS-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167283;MM167283;CC(C=O)COC=CF;MCKGISVTQBPFKM-UHFFFAOYSA-N;132.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167284;MM167284;CC(C#N)COC=CF;RJORRVRQJNJBLP-UHFFFAOYSA-N;129.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167285;MM167285;C=CC(N)COC=CC;LJMZWOSNDXTQKD-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167286;MM167286;C=CC(N)COC=CF;AATIRLGWAYEXGV-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167287;MM167287;C=CC(O)COC=CC;QKDQHQVJSNMYRQ-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167288;MM167288;C=CC(O)COC=CF;HDOZWWVQYWJUGF-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167289;MM167289;O=CC(O)COC=CF;ZCAWULDAPZTCIF-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167290;MM167290;N#CC(O)COC=CF;VJUDYNWQWZIYCI-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167291;MM167291;C=CC(F)COC=CC;KQRBYUMNSDHOLG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167292;MM167292;C=CC(F)COC=CF;MPGQFKCURUPAMU-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167293;MM167293;CC=COCC(F)C=O;WCIMTBLZIPMVMU-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167294;MM167294;CC=COCC(F)C#N;LLLKNRCLRORQJU-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167295;MM167295;N#CC(F)COC=CF;KGOZSVYNONIIHX-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167296;MM167296;C=NOC(=O)NCC#CC;HQCKDHFDOWCLJR-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167297;MM167297;C=CC(C)COC=NO;LGFCZFJFTNGYNF-UHFFFAOYSA-N;129.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167298;MM167298;CC(C=O)COC=NO;POTWUJWMGYLLRK-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167299;MM167299;O=CC(O)COC=NO;PSRIKGROPCPXCD-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167300;MM167300;N#CC(F)COC=NO;HAAYKXFHEIIBFB-UHFFFAOYSA-N;132.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167301;MM167301;C=CC(C)CON=CC;XALYGHILBIIEHF-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167302;MM167302;CC=CC(=O)NNCCO;PZCSTMCDDBGBHW-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167303;MM167303;C=C1CC(=N)N(C)C(=O)N1;LTUUJUAAFABBIT-UHFFFAOYSA-N;139.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167304;MM167304;C=CC(F)CON=CC;MKUADENVFJQVQE-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167305;MM167305;CC=NOCC(F)C#N;NPUVQRCBLQONPF-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167306;MM167306;C=CC(C)NCC=CC;XWQJZCINQOAAPB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167307;MM167307;C=CC(C)NCC=CF;SCEIPVLTNRYCNF-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167308;MM167308;CC(C#N)NCC=NO;YZJWLJBRSGPOHF-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167309;MM167309;CN=CNNC(C)C=O;IQLRXVBXUCQTOS-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167310;MM167310;CC(CO)CNC(=O)NN;HYBWTZYDTJAZHW-UHFFFAOYSA-N;147.18;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167311;MM167311;C=CC(C)OCC=CC;XYFNXHGRCIZMQQ-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167312;MM167312;C=CC(C)OCC=CF;SWNQENRKZGAWFQ-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167313;MM167313;CC=CCOC(C)C=O;GDWFFUVYPMXUJN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167314;MM167314;CC=CCOC(C)C#N;HMGLOTHUWQIGBN-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167315;MM167315;CC(C=O)OCC=CF;WZOBPZOYEFNGKU-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167316;MM167316;CC(C#N)OCC=CF;RVNSAMJJFAUBJH-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167317;MM167317;C=CC(C)OCC=NN;NJHGRGABPCIEIH-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167318;MM167318;CC=CCCN(C)C=N;YUKQPSPYCRQXSO-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167319;MM167319;CN(C=N)CCC=CF;QBFOCMTZHIGFTI-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167320;MM167320;CC=CCCN(C)C=O;IGTPVBBZKLEABG-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167321;MM167321;CN(C=O)CCC=CF;IEKDXCSGAWTUNG-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167322;MM167322;CC=CCCN(N)C=N;RZRWHFXFVLWPPC-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167323;MM167323;CC=CCCN(N)C=O;FCYKSLIMMWWYBM-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167324;MM167324;CC=CCCN(O)C=N;QOIJWUNUAVUFDE-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167325;MM167325;CC=CCCN(O)C=O;MLEPGDGELWTQSY-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167326;MM167326;N=CN(N)CCC=NN;GKKZXLOWQRQSQI-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167327;MM167327;NN=CCCN(N)C=O;RUHLSAFKBFOVKY-UHFFFAOYSA-N;130.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167328;MM167328;C=NN(C)CCC=CC;IXRUTGNXYQUKKH-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167329;MM167329;C=NN(C)CCC=CF;UIPSJOLRCBJXJJ-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167330;MM167330;C=NN(C)CCC=NN;SLBHJXRMUJDIRT-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167331;MM167331;CCC1(OC(=O)NN)CC1;DMZOIXAKKQPBMM-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167332;MM167332;CC=CCNN(C)C=O;IKIPPQXZFYOWSE-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167333;MM167333;CN(C=O)NCC=CF;KSQKMTZGBZTASA-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167334;MM167334;CN(C=N)NCC=NN;JUPZMDORHXDPCA-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167335;MM167335;CN(C=O)NCC=NN;OHATVDHGRNEZBS-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167336;MM167336;CC=CCON(C)C=O;ZXJAMHKTDTUQRC-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167337;MM167337;CN(C=O)OCC=NN;HGCIGXFAWDDWMG-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167338;MM167338;C#CC(C)CCC=CC;OHWRJHFKDLKMIZ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167339;MM167339;C#CC(C)CCC=CF;AHSCIBITKLOVSF-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167340;MM167340;C#CC(N)CCC=CC;DKLCKWWWBPFWKJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167341;MM167341;C#CC(O)CCC=CC;QEZNUMUEDLJMPV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167342;MM167342;C#CC(F)CCC=CC;JZAABZMMKJBEDM-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167343;MM167343;C#CC(C)CCC=NN;SYPMZUAMINCDFI-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167344;MM167344;C#CC(C)CCC=NO;ADRWPCHXWHDCDU-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167345;MM167345;C#CC(O)CCC=NO;VEUUVDCZQDEQLE-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167346;MM167346;C#CC(C)CNC=NC;KDSHEKVWOSNBLF-UHFFFAOYSA-N;124.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167347;MM167347;C#CC(C)CN=CNN;NCJUTPZOTVZSHC-UHFFFAOYSA-N;125.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167348;MM167348;C#CC(N)CNC=NC;KGCRUIRWQAQCBL-UHFFFAOYSA-N;125.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167349;MM167349;C#CC(F)CNC=NC;RMCOAOBGCSUAAF-UHFFFAOYSA-N;128.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167350;MM167350;C=C(C(=O)NN)C(C)CF;PFAFEXVEXVALQF-UHFFFAOYSA-N;146.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167351;MM167351;C#CC(F)CNN=CC;CPGLWRGTBTYMSN-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167352;MM167352;C#CC(C)COC=CC;OUBSPPKSYQPXNX-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167353;MM167353;C#CC(C)COC=CF;VJBGPYIKOFWHPT-UHFFFAOYSA-N;128.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167354;MM167354;C#CC(N)COC=CC;LMXYGMBIGXLABJ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167355;MM167355;C#CC(O)COC=CC;MJNWZRPDWOZSOY-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167356;MM167356;C#CC(F)COC=CC;LWWOJDSJITVLPX-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167357;MM167357;C#CC(F)COC=CF;BCMGQGZTDHGTSA-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167358;MM167358;C=NOCC(O)C(F)CO;NIHFAGBJMIWJOG-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167359;MM167359;C#CC(C)COC=NO;PTCKAOGPXUABPT-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167360;MM167360;C#CC(N)COC=NO;PISXZUUKLYDAIB-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167361;MM167361;C#CC(C)CON=CC;HGQOVQBSTGXKEP-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167362;MM167362;C#CCc1nc(C#C)c[nH]1;BEBBUTNLQBWUEK-UHFFFAOYSA-N;130.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167363;MM167363;C#CC(C)NCC=CC;ZPJVRDKGLTWPKD-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167364;MM167364;C#CC(C)NNC=NC;VAQLGWRDCQXBQT-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167365;MM167365;C#CC(C)OCC=CC;XVNRPBCJJGHSDB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167366;MM167366;C#CC(C)OCC=CF;OVCYXMHRWRVCRW-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167367;MM167367;C#CC(C)OCC=NN;NHBLEPQDKOAEPZ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167368;MM167368;C=C(CC)CCC=CC;ZWLRCVHHGAZIAD-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167369;MM167369;C=C(CC)CCC=CF;OCSVXNXINNVAKV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167370;MM167370;C=C(CN)CCC=CC;XVUHVMHGAKPKMK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167371;MM167371;C=C(CN)CCC=CF;UTKYUTORDVUJCY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167372;MM167372;C=C(CO)CCC=CC;GOIMQHVMLRGTEN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167373;MM167373;C=C(CO)CCC=CF;DCXSHKBTMRLZHE-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167374;MM167374;C=C(CF)CCC=CC;KXLKRQVSSWFKEA-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167375;MM167375;C=C(CF)CCC=CF;MFTWBOVTXUGZDK-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167376;MM167376;CC=CCCC(=O)CC;STICKWIUXCNKRE-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167377;MM167377;CCC(=O)CCC=CF;ACGGHGNKLPUDAW-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167378;MM167378;CC=CCCC(=O)CF;QJSBTIUYHOXFAM-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167379;MM167379;O=C(CF)CCC=CF;KPYISFBQMYIKLT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167380;MM167380;C=C(CC)CCC=NN;ISTPNSGFCBPUGZ-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167381;MM167381;C=C(CC)CCC=NO;BEHVUTQIOSOFGT-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167382;MM167382;CN=c1oc(CO)nn1O;VDFIUPXQTDAHSJ-UHFFFAOYSA-N;145.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167383;MM167383;C=C(CO)CCC=NO;XWRAGGZPBPOWCY-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167384;MM167384;C=C(CF)CCC=NO;DQKXWBALBCPWJM-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167385;MM167385;O=C(CO)CCC=NO;WPHKCZKTMKNESH-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167386;MM167386;CNC(=N)CCC=CF;VOKVQFZSEDBHAH-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167387;MM167387;CC=CCCC(=N)NN;IYGLRRDNNNZPFI-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167388;MM167388;CC=CCCC(=N)NO;AWRSEXRGMQIYAW-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167389;MM167389;NN=c1nc(CO)on1O;SEJVCYGGZGKHRF-UHFFFAOYSA-N;146.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167390;MM167390;N=C(CCC=NO)NN;ZXIQGZHGXFZITQ-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167391;MM167391;CN=c1nc(OC)n(O)o1;VVRPYCHELSANJG-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167392;MM167392;NNC(=O)CCC=NO;YPJTXQAXYLSYKD-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167393;MM167393;O=C(CCC=NO)NO;YUVZJDNQVUBQLM-UHFFFAOYSA-N;132.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167394;MM167394;C=C(CCC=CC)OC;VSGIXNPBMVNEOS-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167395;MM167395;C=C(CCC=CF)OC;QTHVUAXUVIUMQO-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167396;MM167396;CC=CCCC(=O)OC;MEZYCNMPBPQTLK-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167397;MM167397;C=C(CCC=NN)OC;CKMLNJDCJAYEFG-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167398;MM167398;C=C(CCC=NO)OC;LTDCYQQOXJRMOB-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167399;MM167399;C=C(CC)CN=CNC;ISMSBWCWYAMOGY-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167400;MM167400;C=C(CC)CN=CNN;PIACNFVWELCGEI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167401;MM167401;C=C(CN)CNC=NC;RDDDFCJNZKEKOZ-UHFFFAOYSA-N;127.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167402;MM167402;C=C(CN)CN=CNO;MBOYYXHDXQSEFC-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167403;MM167403;CN=CNCC(=O)CO;XEFFNCLXSGOPBU-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167404;MM167404;CN=CNCC(=O)CF;GJWLSQRXQUBNQA-UHFFFAOYSA-N;132.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167405;MM167405;CNC(=N)CN=CNN;AJYCEDICNHJWCP-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167406;MM167406;CNC(=N)CN=CNO;MZVDBJNXTAZHAG-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167407;MM167407;CN=CNCC(=N)NN;YICPDKXDDWJVRQ-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167408;MM167408;N=C(CNC=NN)NN;HIXYSZVYIDDYQK-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167409;MM167409;N=C(CN=CNO)NN;FGOACXKRILKNKI-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167410;MM167410;CN=CNCC(=N)NO;CEQAEQMPKCLHKG-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167411;MM167411;N=C(CNC=NO)NO;LWYGJAIHBSPYHF-UHFFFAOYSA-N;132.12;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167412;MM167412;CN=CNCC(=O)NN;HMNLRKLVLSGLMA-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167413;MM167413;CNC=NCC(=O)OC;JKYARJNQHPBNTQ-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167414;MM167414;CCCN1CC1C(O)C=O;KSUDMQGOQUELCG-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167415;MM167415;C=C(CN)CNN=CC;DXOZBVNWDMCYRA-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167416;MM167416;C=C(CF)CNN=CC;AXPRJQRNGMCODB-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167417;MM167417;C#CCC1NC1C(O)C=O;YVJDJQCKLVCGRI-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167418;MM167418;C#CCN1CC1C(O)C=O;TWRDQOVKIAOVPD-UHFFFAOYSA-N;139.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167419;MM167419;CC1=NOCC1(C)O;WHGFOKUAXNWUSF-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167420;MM167420;Cc1nc(N)cn1O;GSTZFNAMUWCJLQ-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167421;MM167421;CC=NNCC(=O)NO;KJRIUUKIRQAEIJ-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167422;MM167422;C=C(CNN=CC)OC;RNSFWYAUOHEFEG-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167423;MM167423;C=C(CC)COC=CC;JFPAEPKRPGOIIW-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167424;MM167424;C=C(CC)COC=CF;LIMBGQNBXIRYRZ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167425;MM167425;C=C(CN)COC=CC;SXOYUNATLKBRNX-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167426;MM167426;C=C(CO)COC=CC;PJRPNEXTFAREIA-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167427;MM167427;C=C(CF)COC=CC;DTFJGEJJINIOKL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167428;MM167428;C=C(CF)COC=CF;DSNCQAAFLCZHJB-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167429;MM167429;CC=COCC(=O)CC;WVNFWKRKKZSUCU-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167430;MM167430;CCC(=O)COC=CF;XWJUKNMBYXCVNA-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167431;MM167431;O=C(CO)COC=CF;JKSGKACUNWKQRS-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167432;MM167432;CC=COCC(=O)CF;GZYNERWSBCDQHO-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167433;MM167433;O=C(CF)COC=CF;AMIZFENZYRVKGU-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167434;MM167434;N=C1CNC(=O)N1N;QLMCWFFZPHWTMT-UHFFFAOYSA-N;114.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167435;MM167435;C=C(CC)COC=NO;OHDAEIMVKTWQLD-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167436;MM167436;CCC(=O)COC=NO;XQFOWXPTUVTMEQ-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167437;MM167437;O=C(CO)COC=NO;QDAAFDNADLNAKH-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167438;MM167438;CC=COCC(=N)NN;XPWQPJIKLBSHKJ-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167439;MM167439;N=C(COC=CF)NN;PHIMYTSZPOYARZ-UHFFFAOYSA-N;133.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167440;MM167440;C#CCc1c[nH]cn1;PZXZFMKSUPXZTE-UHFFFAOYSA-N;106.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167441;MM167441;CC(C)(CO)NNC=O;JZUAXXCIYFQYQH-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167442;MM167442;CC=COCC(=O)NO;KGUKIENLFNWMIZ-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167443;MM167443;O=C(COC=CF)NO;LTMKAHJEEMOERY-UHFFFAOYSA-N;135.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167444;MM167444;N=C(COC=NN)NN;XVTTYLMQKMEQJW-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167445;MM167445;N=C(COC=NO)NN;VGGOKCLJZPXUKC-UHFFFAOYSA-N;132.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167446;MM167446;N=C(COC=NO)NO;ROKKIMZNJQMCKP-UHFFFAOYSA-N;133.11;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167447;MM167447;CC(=O)NNC1(C)CC1;HQVPULMPNCWMIU-UHFFFAOYSA-N;128.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167448;MM167448;CC=CCNNC(N)=O;FWBXOGAGSJDBID-UHFFFAOYSA-N;129.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167449;MM167449;NNC(=O)COC=NO;PBEUARORVLEOKU-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167450;MM167450;NN=COCC(=O)NO;XJNCIFZRXUKCCE-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167451;MM167451;O=C(COC=NO)NO;YMYHMRNAVDLTGZ-UHFFFAOYSA-N;134.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167452;MM167452;C=C(COC=CC)OC;QSNRQFNBJVOJGC-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167453;MM167453;C=C(COC=CF)OC;OXKFHCFKTCPVDK-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167454;MM167454;CC=COCC(=O)OC;PIWBICIRHFZWBX-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167455;MM167455;COC(=O)COC=CF;VYMBWVXEWNMPTN-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167456;MM167456;C=C(CC)CON=CC;MBGVATDRJQKFBV-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167457;MM167457;C=C(CF)CON=CC;ZISHSQOWFKZZPF-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167458;MM167458;C=C(C(=O)NN)C(C)O;SIJULALZJNPEBU-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167459;MM167459;C=COCCC(=O)NN;SIOJFNMBCRRAST-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167460;MM167460;C#CCC(=C)C(=O)NN;JABRSEBRHPKTSR-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167461;MM167461;CC=NOCC(=O)NO;QQVBLPOKZLJUEI-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167462;MM167462;C=C(CON=CC)OC;TUCCNFVQQPCCFJ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167463;MM167463;CC=CCNC(=N)CC;IKUDASOQNZPOHU-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167464;MM167464;CC=CCNC(=N)CN;NQNSTJRNRIEPJV-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167465;MM167465;N=C(CO)NCC=CF;PWLDEJFGBHUSFI-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167466;MM167466;CN(NC=O)C1(C)CC1;NWMZJGDYWDQZHT-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167467;MM167467;N=C(CN)NCC=NO;QNLJZEYFRWGNIQ-UHFFFAOYSA-N;130.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167468;MM167468;N=C(CO)NCC=NN;BVENAAFXWIBDSU-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167469;MM167469;N=C(CO)NCC=NO;XBDBCJKCCBDJJG-UHFFFAOYSA-N;131.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167470;MM167470;CCC(=O)NCC=NO;FFCOBYTZZOFOPS-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167471;MM167471;CNNC(=O)C1(C)CC1;DPFHOLYNQQVBPK-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167472;MM167472;O=C(CO)NCC=NO;QBSXRJRZVUIHJD-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167473;MM167473;O=C(CF)NCC=NO;LTCIWXDPLTUUEH-UHFFFAOYSA-N;134.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167474;MM167474;N=C(NN)NCC=CF;ZQRCWHTXTVFESY-UHFFFAOYSA-N;132.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167475;MM167475;N=C(NO)NCC=CF;MABFKCZPOPUXKV-UHFFFAOYSA-N;133.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167476;MM167476;CC=CCNC(=O)NC;FATLDUJPIQKYGF-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167477;MM167477;CNC(=N)NCC=NN;ZXKVZKKZALBKCC-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167478;MM167478;CNC(=N)NCC=NO;WWJTVCJNEBTSGM-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167479;MM167479;N=C(NN)NCC=NN;OJSBFAATFTVXHN-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167480;MM167480;N=C(NN)NCC=NO;WJEJICAMCJQIRL-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167481;MM167481;N=C(NO)NCC=NN;JZIHHRAVVMFALS-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167482;MM167482;N=C(NO)NCC=NO;SLKJSKVAJFRHPL-UHFFFAOYSA-N;132.12;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167483;MM167483;N=C1C(F)=C(N)CN1N;IWJYEZDNPYUYIJ-UHFFFAOYSA-N;130.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167484;MM167484;CNC(=O)NCC=NO;LBQMSNRSRMBQNU-UHFFFAOYSA-N;131.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167485;MM167485;NN=CCNC(=O)NO;CFJWHRKMZWASMF-UHFFFAOYSA-N;132.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167486;MM167486;O=C(NO)NCC=NO;XSMJXVZTNBXHJD-UHFFFAOYSA-N;133.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167487;MM167487;CCC(=N)NNC=NC;USBQSODCOXXMOZ-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167488;MM167488;CCC(=N)NNC=NN;SYFXOGSVKTUWJO-UHFFFAOYSA-N;129.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167489;MM167489;CCC(=N)NNC=NO;NMHNPHAQPONOGL-UHFFFAOYSA-N;130.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167490;MM167490;N=C(CN)NNC=NO;MKWIZMTTZNPELU-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167491;MM167491;C#CC1C=C(F)C(=N)N1;GILBCGGLBZRZDS-UHFFFAOYSA-N;124.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167492;MM167492;CN=CNNC(=N)CF;ADTLRJCYNHPEHJ-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167493;MM167493;CCC(=O)NN=CNC;PXVWAGPUVOMWLA-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167494;MM167494;C=Cn1nnn(O)c1=N;POBLOQKRVZOVAD-UHFFFAOYSA-N;127.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167495;MM167495;CCC(=O)NN=CNO;KDTGPCKOQBWDBB-UHFFFAOYSA-N;131.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167496;MM167496;CN=CNNC(=O)CO;PTFYXNXZRADSQW-UHFFFAOYSA-N;131.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167497;MM167497;O=C(CO)NN=CNO;APJOJQCFGJMOGI-UHFFFAOYSA-N;133.11;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167498;MM167498;CN=CNNC(=N)NC;GAYZZDUIPDAOGB-UHFFFAOYSA-N;129.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167499;MM167499;N=C(NN)NNC=NN;AWMFYJGWQJYQGF-UHFFFAOYSA-N;131.14;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167500;MM167500;N=C(NN)NN=CNO;WENSOXDDHIKFIG-UHFFFAOYSA-N;132.13;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167501;MM167501;N=C(NO)NNC=NN;ARHGBFRLVWPXJJ-UHFFFAOYSA-N;132.13;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167502;MM167502;N=C(NO)NNC=NO;GMAJKQKDCPSOHQ-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167503;MM167503;CNC(=O)NN=CNO;DHRYRBQLTDXMCK-UHFFFAOYSA-N;132.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167504;MM167504;NNC(=O)NN=CNO;XDLOKZADNBWTCO-UHFFFAOYSA-N;133.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167505;MM167505;N=Cn1nnn(O)c1=N;LCDNYLHHGMSJKN-UHFFFAOYSA-N;128.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167506;MM167506;O=C(NO)NNC=NO;CYDADNJOCNTNGR-UHFFFAOYSA-N;134.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167507;MM167507;CCC(=N)NOC=NN;KPILMUYBKRIFSI-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167508;MM167508;CCC(=N)NOC=NO;JURYVSBBMISOCE-UHFFFAOYSA-N;131.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167509;MM167509;NN=CONC(=O)CO;XHUYNJWXRCKQEF-UHFFFAOYSA-N;133.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167510;MM167510;N=c1oc(=O)n(O)n1O;ZDOMVZABROFEOE-UHFFFAOYSA-N;133.06;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167511;MM167511;CNC(=O)NOC=NN;FGZCADWMBXKRLF-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167512;MM167512;CNC(=O)NOC=NO;SBCCDCZSJIMVEH-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167513;MM167513;NN=CONC(=O)NN;AYZYHNAIAHMRNV-UHFFFAOYSA-N;133.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167514;MM167514;NNC(=O)NOC=NO;BOIDHQHKDURNBZ-UHFFFAOYSA-N;134.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167515;MM167515;NN=CONC(=O)NO;OUOBJBUQIPWYTF-UHFFFAOYSA-N;134.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167516;MM167516;O=C(NO)NOC=NO;MDKPYBIZLPHLGK-UHFFFAOYSA-N;135.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167517;MM167517;C#Cc1cnc(O)n1C;UISTYORSVFQXRK-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167518;MM167518;CC=C(CO)C(=O)NN;MSNCQSBDIBFSHC-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167519;MM167519;COC(=O)NOC=NN;RPNMKSMUPMADMK-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167520;MM167520;C=C(CC)OCC=CC;YWOIKIHDERTLDK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167521;MM167521;C=C(CC)OCC=CF;YKYHNUFKUKUWPT-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167522;MM167522;C=C(CN)OCC=CC;RDLLXSDNUYSQDY-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167523;MM167523;C=C(CO)OCC=CC;DAQLUPGAKBLDER-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167524;MM167524;C=C(CO)OCC=CF;DLNDMIBUSUWZJL-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167525;MM167525;C=C(CF)OCC=CF;ZBPVNWMQEMJACN-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167526;MM167526;CC=CCOC(=O)CC;UCXAUVOTLFMULL-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167527;MM167527;CCC(=O)OCC=CF;WZDWIJNGLNBFQD-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167528;MM167528;O=C(CF)OCC=CF;SZCCDSRRMDSUDT-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167529;MM167529;CCC(=O)NNC1CC1;RCTQMEBDLORWNE-UHFFFAOYSA-N;128.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167530;MM167530;C=NNCCNNC=O;KASVMHACPAYSAI-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167531;MM167531;CC=CCOC(=N)NC;IIQGRBOPHVEMLQ-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167532;MM167532;CNC(=N)OCC=CF;HUULVRIMNKPETR-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167533;MM167533;CC=CCOC(=O)NC;COVKSGZLWIOXTN-UHFFFAOYSA-N;129.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167534;MM167534;CNC(=O)OCC=CF;DRBSUZIGTPIVCR-UHFFFAOYSA-N;133.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167535;MM167535;CNC(=N)OCC=NN;VPPOKJCDTAJCGE-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167536;MM167536;C=COCCNNC=O;NJGAFAVDOHJQRB-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167537;MM167537;CCNNC(=O)C1CC1;WREYYOWSAORBKF-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167538;MM167538;CCCNC(=O)NN(C)C;FAVKCHHVQIHNSZ-UHFFFAOYSA-N;145.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167539;MM167539;NN=CC(O)(CO)CCO;SSAIQXCJEGCLJT-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167540;MM167540;CC(O)C(=O)OC(=N)NO;RGKNFKPQIMSUQQ-UHFFFAOYSA-N;148.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167541;MM167541;N=CN(N)C(=O)CC(N)=O;YHIKYKFXTJFPDI-UHFFFAOYSA-N;144.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167542;MM167542;CC(=O)NC(C=NN)=CF;QEXFWBMDHCKTSI-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167543;MM167543;CC(CC=O)CNNC=O;NCBYHXUZPPCKLU-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167544;MM167544;CNC=NOC(=O)OC;RHALTQGYNDNKLH-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167545;MM167545;CC(O)C(O)C(CF)=NN;ZPOIDOFFCDWBCF-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167546;MM167546;C#CC(O)(CC)CN1CC1;QUPHPMUBVXUDGG-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167547;MM167547;C=CC(=C)CCC=CC;QACXILRSMHXGTR-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167548;MM167548;C=CC(=C)CCC=CF;RMXZWHHZXKKVKA-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167549;MM167549;C=C(C=O)CCC=CC;XREIWECPYWCHQL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167550;MM167550;C=C(C#N)CCC=CC;WFFIKZZEAUZIQX-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167551;MM167551;C=C(C=O)CCC=CF;PIGVERMWOYBSQO-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167552;MM167552;C=C(C#N)CCC=CF;VHHLQKSLLPSTPJ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167553;MM167553;C=CC(=O)CCC=CC;BJXSEQYEYPXSIS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167554;MM167554;CC=CCCC(=O)C=O;DIVHOYDCACYATQ-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167555;MM167555;CC=CCCC(=O)C#N;JCGXFADSUGYICK-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167556;MM167556;C=CC(=C)CCC=NN;AGNJXDKKDUZHRC-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167557;MM167557;C=CC(=C)CCC=NO;WBCNEHSMDXJGNV-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167558;MM167558;C=C(OC)C(C)C(=O)NN;GGPWVKKEEAJSPQ-UHFFFAOYSA-N;144.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167559;MM167559;C=C(C#N)CNC=NC;QMURRIUPZBBCBR-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167560;MM167560;CC(C=O)CCNNC=O;KEABMNLPHKQHAJ-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167561;MM167561;CCC(=O)CCNNC=O;ZPQLVVLJRTWUGO-UHFFFAOYSA-N;144.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167562;MM167562;CN=CNCC(=O)C#N;XCRSKPUCWPWYKF-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167563;MM167563;C=CC(=O)NNCCOC;HLKSBJPBLWXBRY-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167564;MM167564;C=C(C=O)CNN=CC;ZHHCBYUWBYMUEJ-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167565;MM167565;C#CC1(O)CC1NCC#N;YKIMBAPYARBTQP-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167566;MM167566;CN(N)C(=NN)C(O)CO;ZLTUGKRCJVMGBL-UHFFFAOYSA-N;148.17;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167567;MM167567;C=CC(=C)COC=CC;RLWSJODYBLZLPJ-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167568;MM167568;C=CC(=C)COC=CF;XKYRFEFPFJOEDR-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167569;MM167569;C=C(C=O)COC=CC;OTMQELBCQZVENT-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167570;MM167570;C=C(C#N)COC=CC;AXJYSJBDZUJJNO-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167571;MM167571;C=C(C=O)COC=CF;MAOWXXIETVDUTN-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167572;MM167572;C=C(C#N)COC=CF;FIJGRJKGGDWEOW-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167573;MM167573;C=CC(=O)COC=CC;AZEYQXFGEMRIBK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167574;MM167574;C=CC(=O)COC=CF;GFQSPCFVEYNNOS-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167575;MM167575;N#CC(=O)COC=CF;UOVQCXDKUILQLM-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167576;MM167576;CC=C(OC)C(O)C=NN;VLDZTCAGLIBOTQ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167577;MM167577;C=CC(=C)COC=NO;JHXPAPCKXPSQQC-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167578;MM167578;C=C(C#N)COC=NO;NUWYUWPXODOINN-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167579;MM167579;C=CC(=C)CON=CC;NQPHAWPDNDJFMH-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167580;MM167580;C=C(C=O)CON=CC;MMBMGAMTNYEZEU-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167581;MM167581;C=C(C#N)CON=CC;DYUPMOLRZXEOLU-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167582;MM167582;C#CC1C=CC(C=NN)=C1;ROXCEKJCESBOGH-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167583;MM167583;C=CC(=N)NCC=CC;JHZAVNXJICUUNK-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167584;MM167584;C=CC(=N)NCC=CF;QAKIYZIQZKOXCI-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167585;MM167585;C#CC1=CCC(C=NN)=C1;DGWUOWITSYSKNQ-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167586;MM167586;CC=CCNC(=O)C=O;OGIQTJIUHNOOCG-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167587;MM167587;N#CC(=O)NCC=CF;WYXNIIJLFKBVST-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167588;MM167588;C=CC(=N)NCC=NN;OHBLJNGUNRJNDX-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167589;MM167589;N#CC(=N)NCC=NO;VUUMWDHQWCPVDR-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167590;MM167590;C=CC(=O)NCC=NO;RXQUNOOXRRVQEE-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167591;MM167591;C=CC(=N)NNC=NC;UKEKIEUMKUXKEO-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167592;MM167592;C=CC(=N)NNC=NN;UYEVXEUTIGYDRJ-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167593;MM167593;N#CC(=N)NNC=NO;KRLGNFJPVSQVMA-UHFFFAOYSA-N;127.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167594;MM167594;C=CC(=O)NNC=NC;ZVFOBRMNMPELCM-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167595;MM167595;C=CC(=O)NNC=NO;DMGJRLUXKLBWSK-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167596;MM167596;CN=CNNC(=O)C=O;BTFNXKIQIYXICJ-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167597;MM167597;N#CC(=O)NNC=NO;UPZWEZWCSMXGEG-UHFFFAOYSA-N;128.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167598;MM167598;NC(C=O)=NOC=NO;ZKXWYXQXLXKHBN-UHFFFAOYSA-N;131.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167599;MM167599;N#CC(=N)NOC=NO;RAMGHITXRTVBQI-UHFFFAOYSA-N;128.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167600;MM167600;C=CC(=O)NOC=NO;MANCEIYHEAPBKU-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167601;MM167601;Cn1c(O)c(O)n(C)c1=O;LNLNXVSRLWIDOQ-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167602;MM167602;C=CC(=C)OCC=CC;QGXDZDLNCZAOGD-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167603;MM167603;C=CC(=C)OCC=CF;BLACPSKUNSDIBE-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167604;MM167604;C=C(C=O)OCC=CC;XIUNPFAPHHNDSE-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167605;MM167605;C=C(C=O)OCC=CF;NMWPGRQEGKRVDG-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167606;MM167606;C=C(C#N)OCC=CF;MDTGVBWWDHJLHG-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167607;MM167607;C=CC(=O)OCC=CC;COXYCFKHVQFUPA-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167608;MM167608;C=CC(=O)OCC=CF;YRWVARUFIMDYDB-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167609;MM167609;CC=CCOC(=O)C#N;PCWBTRKGHOQSLM-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167610;MM167610;O=CC(=O)OCC=CF;RNWUFMOGJLBBQX-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167611;MM167611;N#CC(=O)OCC=CF;LTJYPLUDNXRTKJ-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167612;MM167612;C=CC(=C)OCC=NN;KYUTWVLQDHITGO-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167613;MM167613;C=CC(=C)OCC=NO;LRXRLNAFDQDUIF-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167614;MM167614;C=CC(=O)OCC=NN;ISXMKMSRXRYVEJ-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167615;MM167615;C#CC(=C)CCC=CC;NTODOBAISQPWTB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167616;MM167616;C#CC(=C)CCC=CF;PCXCVECPIIOFHV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167617;MM167617;C#CC(=O)CCC=CC;SMVNXDOXOZWITM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167618;MM167618;C#CC(=C)CCC=NN;MNRJQIMICIBSJU-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167619;MM167619;C#CC(=C)CCC=NO;SIUFPTXGRCFYRE-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167620;MM167620;C#CC(=C)CNC=NC;SQFLSTKJRWLKTM-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167621;MM167621;C#CC1(O)CC1N1CC1C;WDWDBKMZJIVJIZ-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167622;MM167622;C#CC(=O)CNC=NO;XGMCGCTWSVDVTE-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167623;MM167623;C#CC(=C)CNN=CC;GWHUERLYEGNHQE-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167624;MM167624;O=CCCCCNNC=O;JRULSLUJNZZULQ-UHFFFAOYSA-N;144.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167625;MM167625;C#CC(=C)COC=CC;VHNANVRXDRVKNV-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167626;MM167626;C#CC(=C)COC=CF;JNLYVVHDLRHUDT-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167627;MM167627;C#CC(=O)COC=CC;GZKPAEXRGYUPCM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167628;MM167628;C#CC(=O)COC=CF;WZMUSKLXUSMDCR-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167629;MM167629;NNC(=O)CCCO;WOXQFPPKZBOSTN-UHFFFAOYSA-N;118.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167630;MM167630;C#CC(=C)CON=CC;KVQZZGTUMVCTAY-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167631;MM167631;C#CC(=N)NCC=NO;XDMLNDVFXFNBNA-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167632;MM167632;Cn1nnn(O)c1=N;RPTWDYFHAYITIA-UHFFFAOYSA-N;115.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167633;MM167633;C#CC(=O)NCC=NO;IEHASYXDTILDSP-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167634;MM167634;C#CC(=C)OCC=CC;LOIYDHKEUSNTQE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167635;MM167635;C#CC(=C)OCC=CF;YTAONHJBXOKNND-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167636;MM167636;C#CC(=O)OCC=CC;GEIRCBUPYYXGOZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167637;MM167637;C#CC(=C)OCC=NN;HWHXWJWVVNHPOR-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167638;MM167638;C#CC(=O)OCC=NN;KNBANSCXXOGSPE-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167639;MM167639;CC#CCCC(C)CC;AMFRCIDKDKGJRY-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167640;MM167640;CC#CCCC(C)CN;MBLWZSQONXNXGR-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167641;MM167641;O=CNNCCCO;ZKWVXZGXHPVPRF-UHFFFAOYSA-N;118.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167642;MM167642;CC#CCCC(C)CF;AHLQPCCPEJGZRB-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167643;MM167643;CC#CCCC(N)CC;CQNZXJHPICLRHF-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167644;MM167644;CC#CCCC(N)CN;PYJVEAJRAJOQFZ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167645;MM167645;CC#CCCC(N)CO;DFFWDMPTSVAKJV-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167646;MM167646;CC#CCCC(N)CF;JZDBJNMQXMAJHU-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167647;MM167647;COC(=O)NNC(C)C;SCYVEOMNIWOSPQ-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167648;MM167648;CC#CCCC(O)CN;AJIJNCCWKZBWFE-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167649;MM167649;CC#CCCC(O)CF;MMOLQYGOGVBASQ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167650;MM167650;CC#CCCC(F)CC;HOFZKOFLBGZPPY-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167651;MM167651;CC#CCCC(F)CN;ZDGQNYIGVQSQIQ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167652;MM167652;CC#CCCC(F)CO;VAPJLDCFNSYLSY-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167653;MM167653;CC#CCCC(F)CF;HHWNHVANMSFFHJ-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167654;MM167654;CC#CCCC(C)NC;FYJYNPHDTSSREU-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167655;MM167655;CC#CCCC(C)OC;XTRDHDMMWFWLLR-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167656;MM167656;CC#CCNC(C)CC;IXTAUOSVOJPTPB-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167657;MM167657;CC#CCOC(C)CC;FSZWAXNXZLBKFA-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167658;MM167658;CC#CCOC(C)CN;LOIAUIHYEBNQLH-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167659;MM167659;CC#CCOC(C)CO;JDJZTWUVORWAQG-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167660;MM167660;CC#CCOC(C)CF;LXBFPIKXDYJIJN-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167661;MM167661;CC#CCOC(C)OC;MABDUIRRFOUTSV-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167662;MM167662;CC#CCCN(C)CC;PGMAUMFSCSCFGE-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167663;MM167663;C=CC(C)CCC#CC;AKUWFYHTOPRVNC-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167664;MM167664;CC#CCCC(C)C=O;ZLXTYNZHYQREKW-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167665;MM167665;CC#CCCC(C)C#N;ALOONRJHBVDPNN-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167666;MM167666;C=CC(N)CCC#CC;ZKCKXQLQKWMNPX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167667;MM167667;CNN=CNNC(N)=O;AKUOJTZBXBRTHD-UHFFFAOYSA-N;131.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167668;MM167668;CC#CCCC(O)C=O;TUKLPLFSNXAOQJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167669;MM167669;CC#CCCC(O)C#N;MRVJYYHYLYLYFW-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167670;MM167670;C=CC(F)CCC#CC;DDXDVANDOPULRB-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167671;MM167671;C=CC(C)NCC#CC;WZWSSRBKVUKYBI-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167672;MM167672;CC#CCNC(C)C#N;QVARRXFOBGZKEA-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167673;MM167673;C=CC(C)OCC#CC;ZASZDQCISJEADO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167674;MM167674;CC#CCOC(C)C=O;BOQACHNWJIBWQF-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167675;MM167675;CC#CCOC(C)C#N;VYLXGKWCRBFJAX-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167676;MM167676;CC#CCCN(C)C=N;VMVVBRVVZXQSCY-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167677;MM167677;CC#CCCN(C)C=O;PHAZHWKCBGXRTF-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167678;MM167678;CC#CCCN(N)C=N;AYRGQYKCHGVIJR-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167679;MM167679;CC#CCCN(N)C=O;NSKMRAWFRPTCMG-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167680;MM167680;C=NN(C)CCC#CC;KYORFQKAUCTCIN-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167681;MM167681;C#CC(C)CCC#CC;NKQIPIWTJZKQMR-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167682;MM167682;C#CC(N)CCC#CC;SRUGAHPMPUVPJV-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167683;MM167683;C#CC(O)CCC#CC;JOTDLHUNERNNEM-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167684;MM167684;C#CC(F)CCC#CC;NTCCKIONBVAGAD-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167685;MM167685;C#CC(C)OCC#CC;RIHSSNZFHOUCLK-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167686;MM167686;C=C(CC)CCC#CC;DOFGQSJDXMQLQW-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167687;MM167687;C=C(CN)CCC#CC;GUJPRWJKOIUEBT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167688;MM167688;C=C(CO)CCC#CC;HVZOBAGCLNYCJI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167689;MM167689;C=C(CF)CCC#CC;DTWKQPJQYYLPEY-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167690;MM167690;CC#CCCC(=O)CC;BXSJFQKLGDWVFK-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167691;MM167691;CC#CCCC(=O)CO;MOFQFMSINKFFSR-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167692;MM167692;CC#CCCC(=O)CF;RFYVIYAYOIBREP-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167693;MM167693;CC#CCCC(=N)NC;LVPZXNAAYLFUEX-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167694;MM167694;CC#CCCC(=N)NN;FFLWMZYJGRHBSD-UHFFFAOYSA-N;125.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167695;MM167695;CC#CCCC(=N)NO;ZMCCRFIZJCDBKS-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167696;MM167696;CC#CCCC(=O)NC;UQJVKKGHLWBXHS-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167697;MM167697;NN=CCCC(=O)NN;NHUCVUIUCAEEJD-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167698;MM167698;CC#CCCC(=O)NO;XWGVYAWMLJANMH-UHFFFAOYSA-N;127.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167699;MM167699;C=C(CCC#CC)OC;ZPZSMHQPDCFZEO-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167700;MM167700;CC#CCCC(=O)OC;SWTIICOARBHNPS-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167701;MM167701;CC#CCNC(=N)CC;RSXINPUSXYEYOV-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167702;MM167702;CC#CCNC(=O)CC;IVYDRDHUTLYVTB-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167703;MM167703;CC#CCNC(=N)NC;SIDDSNKYVYUOMK-UHFFFAOYSA-N;125.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167704;MM167704;C=C(CC)OCC#CC;JGBQBRPQNSDNEB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167705;MM167705;C=C(CN)OCC#CC;FVIZQZMLFDDEND-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167706;MM167706;C=C(CO)OCC#CC;JZGVFFVPVRMNON-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167707;MM167707;C=C(CF)OCC#CC;OXTNUYBMJJLIOC-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167708;MM167708;CC#CCOC(=O)CC;ZQQOVKPQZFPUGE-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167709;MM167709;CC#CCOC(=O)CF;DZCHXAUFGVDOBP-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167710;MM167710;CC#CCOC(=N)NC;PJPWREGNALZZTH-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167711;MM167711;CC#CCOC(=O)NC;ZSEUKLXISGPJJX-UHFFFAOYSA-N;127.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167712;MM167712;CC#CCOC(=O)OC;BDAOAQUFONMMPY-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167713;MM167713;C=CC(=C)CCC#CC;AFNOSLLKVZKQDO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167714;MM167714;C=C(C=O)CCC#CC;CYYYHNDXEZJMLW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167715;MM167715;C=C(C#N)CCC#CC;MIZMEQLROACUNO-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167716;MM167716;C=CC(=O)CCC#CC;VAOQVXCAQQYYBS-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167717;MM167717;CC#CCCC(=O)C=O;ULMGSYWWANZITO-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167718;MM167718;CC#CCCC(=O)C#N;AYBWOKPEUKGTIL-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167719;MM167719;CC#CCN=C(N)C=O;BNZJCUKQWNBFBZ-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167720;MM167720;N=c1nc(CO)on1O;BWGFWNHEVHXHSX-UHFFFAOYSA-N;131.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167721;MM167721;CC#CCNC(=O)C=O;UTXGEAOYQIOJOU-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167722;MM167722;C=CC(=C)OCC#CC;IQEYATFWFXVCCS-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167723;MM167723;C=C(C=O)OCC#CC;VCZUGWGKQXDDIK-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167724;MM167724;C=C(C#N)OCC#CC;BSGFUNLNKKDTFO-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167725;MM167725;C=CC(=O)OCC#CC;ISPKMGNOCNJIJM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167726;MM167726;CC#CCOC(=O)C=O;XNJLIODECNKROQ-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167727;MM167727;CC#CCOC(=O)C#N;ZEGYLDCTSDYZGY-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167728;MM167728;C#CC(=C)CCC#CC;ZHDYSKFBDIMMFI-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167729;MM167729;C#CC(=O)CCC#CC;PABLJZSTFCKXCM-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167730;MM167730;C#CC(=N)NCC#CC;CFCGCPVVUOFTCB-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167731;MM167731;C#CC(=O)NCC#CC;FCXRYQUHNKJBKI-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167732;MM167732;C#CC(=C)OCC#CC;YPBFSHCGJJTUOM-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167733;MM167733;C#CC(=O)OCC#CC;WOKKCJBCWDOUCU-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167734;MM167734;CC=C(C)CCCCC;VOKPUAYTTWEUPZ-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167735;MM167735;CC=C(C)CCCCN;ZXAOVLDLMBGIRA-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167736;MM167736;N=c1nnc(=O)on1O;IXXGIDHUPRXZCD-UHFFFAOYSA-N;130.06;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167737;MM167737;CCCCCC(C)=CF;KPEXMXSXPLUSLA-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167738;MM167738;CC(=CF)CCCCN;NOMBXIKIRAKTCJ-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167739;MM167739;CCn1nnn(O)c1=N;XNIVCGHHWSYTDM-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167740;MM167740;CC(=CF)CCCCF;GVCMSDTYNHUBIA-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167741;MM167741;CC=C(F)CCCCC;PGECMNIWTMULQS-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167742;MM167742;CC=C(F)CCCCN;WNSNFFVOVXXMAO-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167743;MM167743;CCC=CC(=NO)NC;LJENTKKMUISVKR-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167744;MM167744;CC=C(F)CCCCF;LUQVRGKVBVBFFW-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167745;MM167745;CCCCCC(F)=CF;DWFFRPASFFSZOY-UHFFFAOYSA-N;134.17;3.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167746;MM167746;NCCCCC(F)=CF;GAAYMNQXHZEYFK-UHFFFAOYSA-N;135.16;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167747;MM167747;NN=C1C=C(CO)OC1;AFPSCZKUWYBXEY-UHFFFAOYSA-N;128.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167748;MM167748;CC=C(C)CCCNC;MMLATVAZTUGWEW-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167749;MM167749;CC=C(F)CCCNC;GCZOSWQBHYKRBL-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167750;MM167750;COCCCC(C)=CF;VJZCTPKWSQWWLE-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167751;MM167751;CC=C(F)CCCOC;TVFWLCAIBQEZIE-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167752;MM167752;CCCCCC(C)=NN;MQEZZBHPWHZVHH-UHFFFAOYSA-N;128.22;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167753;MM167753;CC(=NN)C(O)C1CO1;BTDXPGJDENBIOV-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167754;MM167754;CON=C(C)C(O)C=NN;FHJVLWNKMLPSLJ-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167755;MM167755;CC(CCCCF)=NO;SHBAFXXRQLAMDU-UHFFFAOYSA-N;133.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167756;MM167756;COCCCC(C)=NN;NLUHHCKBQFDUBI-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167757;MM167757;COCCCC(C)=NO;UQLKNKKAJJOFAB-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167758;MM167758;CC=C(C)CCNCC;ZCYGYYHDAUBQSK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167759;MM167759;CC=C(F)CCNCC;WKIUJMIIKKHARE-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167760;MM167760;CC=C(C)CCOCC;MEFGLBBMPOLRCB-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167761;MM167761;CCOCCC(C)=CF;AMGWNPYWOULKAI-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167762;MM167762;CC=C(F)CCOCC;CHTKODRBFBWOFS-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167763;MM167763;CCOCCC(F)=CF;KEJCTPKTCMJDLK-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167764;MM167764;CCOCCC(C)=NN;FQSYDUKYGBMTCB-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167765;MM167765;CCOCCC(C)=NO;BJTUCTZIQQXZLN-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167766;MM167766;CC=C(C)CNCCC;VODISJUBHRBMSS-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167767;MM167767;NCCNCC(F)=CF;OOHLCZMQPHAQMX-UHFFFAOYSA-N;136.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167768;MM167768;FC=C(F)CNCCF;FLNURLWVYPQORX-UHFFFAOYSA-N;139.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167769;MM167769;CC(CNCCN)=NO;CRLIXNUBAJWZPE-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167770;MM167770;CC=C(C)COCCC;RYSFSLZUPQSSAM-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167771;MM167771;CC=C(C)COCCO;BLPRLIUJMRYYPF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167772;MM167772;CC=C(C)COCCF;WKVODNCLSGKIOD-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167773;MM167773;CCCOCC(C)=CF;FGQZDSZSYUIMNU-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167774;MM167774;CC(=CF)COCCO;IFWPGCVCQMMILE-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167775;MM167775;CC(=CF)COCCF;GARCIBUHWKZJIO-UHFFFAOYSA-N;136.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167776;MM167776;CC=C(F)COCCC;TZKBYPYAWQEPLV-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167777;MM167777;CC=C(F)COCCN;LRSJNSJRINTXEP-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167778;MM167778;CC=C(F)COCCO;JGIUPBNWLIAZSF-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167779;MM167779;CCCOCC(F)=CF;XQSDHVBTBOPZMD-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167780;MM167780;CC=C(C)COCOC;WRUOMNFYUHEJDE-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167781;MM167781;CC=C(F)COCOC;QLYXQHAWPHQBIC-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167782;MM167782;COCOCC(F)=CF;IXMCSOYQIKXFRB-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167783;MM167783;CCCOCC(C)=NN;FIPOQYPEUUGNSN-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167784;MM167784;CCCOCC(C)=NO;KHWWXPSXBMUECD-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167785;MM167785;CC(COCCN)=NO;GDVDXECFIIWXFU-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167786;MM167786;CC(COCCO)=NO;JWGSATSICGRCRZ-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167787;MM167787;COCOCC(C)=NN;JMMYDMYWHNEJKC-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167788;MM167788;COCOCC(C)=NO;AJSSRFZKCPKLPJ-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167789;MM167789;CCCCN=C(C)NC;FRLGVXPOMDLKRL-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167790;MM167790;CN=C(C)NCCCF;WRKRJHLTXCQIKI-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167791;MM167791;CCCCN=C(C)NN;HVNFUYSWYXPLMB-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167792;MM167792;CC(=NN)NCCCO;GOJDOQNYJHBTPM-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167793;MM167793;CCCCN=C(C)NO;NTGXPGTZOCFXPS-UHFFFAOYSA-N;130.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167794;MM167794;CC(=NCCCO)NO;WUBOVKFPJALYAY-UHFFFAOYSA-N;132.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167795;MM167795;CN=C(C)NNCCF;BNUIPOMBNALFFE-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167796;MM167796;CN=C(C)NOCCN;FKLMEXWBIOCUFK-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167797;MM167797;N=C(NN)C(F)C(O)CO;CANPMBBMLKHWPA-UHFFFAOYSA-N;151.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167798;MM167798;CC(=NOCCN)NO;RIXGWXHRUXYFKI-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167799;MM167799;C=CC(=C)N(C)C(=O)NN;XOBKTRMHQUJFET-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167800;MM167800;CC=C(C)OCCCC;RDLUGROSYAIXKX-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167801;MM167801;CC=C(C)OCCCN;ODXIDKYFCFAIEZ-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167802;MM167802;CC=C(C)OCCCO;BOCDVHDYTCWHTC-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167803;MM167803;CCCCOC(C)=CF;ZWDNOAOGJXEINK-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167804;MM167804;CC(=CF)OCCCO;FFDMQMOGZHXZED-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167805;MM167805;CC=C(C)OCCNC;LWGQMTADLHMDCY-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167806;MM167806;CC=C(C)OCCOC;HLXYSPAWPYPXDT-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167807;MM167807;COCCOC(C)=CF;BGFMFFQOTJUYSI-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167808;MM167808;C=C(CO)C(=C)C(=O)NN;VZPNFRJEBYEJLC-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167809;MM167809;CC=CCNNC(=O)NC;VNPJCGMKDAITHY-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167810;MM167810;CCCCOC(C)=NO;RGBWYVDYDRLELK-UHFFFAOYSA-N;131.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167811;MM167811;CC(=NO)OCCCN;FWTPTDIIGPSLCX-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167812;MM167812;CC(=NO)OCCCO;DCHIALUFPIXEQD-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167813;MM167813;CNCCOC(C)=NO;KHFFRLACHNHJCN-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167814;MM167814;CC=C(C)OCOCC;JPCQQZFDOVIPIR-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167815;MM167815;CCOCOC(C)=CF;NMRJOPPREVJWDZ-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167816;MM167816;C=CCCCC(C)=CC;DHBQJICESILRNK-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167817;MM167817;CC=C(C)CCCC=O;XYGDPZSEZHZJIV-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167818;MM167818;CC=C(C)CCCC#N;PSHXKQIRKLSVMP-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167819;MM167819;C=CCCCC(C)=CF;QXCMEEIFIVSAQT-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167820;MM167820;CC(=CF)CCCC#N;YFRJEDDMDBKPNP-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167821;MM167821;C=CCCCC(F)=CC;MXXNTDIBSGWENK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167822;MM167822;CC=C(F)CCCC=O;ZZWAQYMVSVJWCR-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167823;MM167823;CC=C(F)CCCC#N;DUVXKBWCZCORBS-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167824;MM167824;C=CCCCC(F)=CF;MLRXTRUYWMWTEY-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167825;MM167825;O=CCCCC(F)=CF;KFQXFYGGNRHDLS-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167826;MM167826;N#CCCCC(F)=CF;ZKYDHIVSZJXNGX-UHFFFAOYSA-N;131.13;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167827;MM167827;C=CCCCC(C)=NN;VIQGHKJUKYRSAL-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167828;MM167828;C=CC(=O)NNC=NOC;ODAOIIUSITZSDO-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167829;MM167829;CC=C(C)CCNC=N;BKIHBANRQBOTMK-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167830;MM167830;C#CCNC=CC(=O)NN;QWNPYLIWSGSEMS-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167831;MM167831;CC(=CF)CCNC=N;IBKMAEPBOHAMJU-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167832;MM167832;C#CC(O)C(CO)NN=C;BNEPYOKGXDUADC-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167833;MM167833;CC=C(F)CCNC=N;NABZSUMUBJDHRC-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167834;MM167834;CNN=C(NN)C(O)CO;UODGONCTERWMBS-UHFFFAOYSA-N;148.17;-2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167835;MM167835;N=CNCCC(F)=CF;UTUYTTHQNJXKLH-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167836;MM167836;C=NNCCC(C)=CC;XDUIBMPZVOSRBL-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167837;MM167837;C=NNCCC(F)=CF;MAZWGDNIOKAXGL-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167838;MM167838;CC(CCNC=N)=NN;JWIVVFAVYDQUMP-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167839;MM167839;N=c1c(F)c(F)n(O)n1O;BFBWKZOBFFQQSX-UHFFFAOYSA-N;151.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167840;MM167840;CC(CCNC=N)=NO;VUSBEMFBAYCPPA-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167841;MM167841;CC(CCNC=O)=NO;HGEOLHBGTNQLRN-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167842;MM167842;C=COCCC(C)=CC;CRHJNHZMSFPPCE-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167843;MM167843;CC=C(C)CCOC=O;MVEQBILLHRZAJK-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167844;MM167844;C=COCCC(C)=CF;OJAFETRCLUPOII-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167845;MM167845;CC(=CF)CCOC=O;VATOMMADHBAQRM-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167846;MM167846;C=COCCC(F)=CC;LWKFFPSGELQEPE-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167847;MM167847;CC=C(F)CCOC=O;KXNPFTKKIGUMQN-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167848;MM167848;O=COCCC(F)=CF;WPQKWZMOISOSAR-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167849;MM167849;C=NOCCC(C)=CC;ZNVGGBSJALKFTH-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167850;MM167850;C=NOCCC(C)=CF;PCVJXFUTLBDQLA-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167851;MM167851;C=NOCCC(F)=CC;SZWFCRZDIUMCOG-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167852;MM167852;C=NOCCC(F)=CF;JDIDMFRIDZLYCL-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167853;MM167853;C=COCCC(C)=NN;KGPRXDKIWXRHBU-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167854;MM167854;C=COCCC(C)=NO;SZZOONUAPWXWQA-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167855;MM167855;C=NOCCC(C)=NN;LFCNCWQRCQCMTA-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167856;MM167856;C=CCNCC(C)=CC;SQOQRQZPMUUFTF-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167857;MM167857;CC=C(C)CNCC#N;XGRQCICDVHVDPG-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167858;MM167858;C=CCNCC(C)=CF;GZSFAGGCYJAOOA-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167859;MM167859;CC=C(F)CNCC#N;PVCMMXOSOPHUAU-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167860;MM167860;N#CCNCC(F)=CF;LTHWHTKBUWEQPR-UHFFFAOYSA-N;132.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167861;MM167861;CC(CNCC#N)=NO;YYYXJBZPVLOKFG-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167862;MM167862;N=CNNCC(F)=CF;CQAUGPBDQRBPHH-UHFFFAOYSA-N;135.12;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167863;MM167863;O=CNNCC(F)=CF;IXHAQBWRPKHHLQ-UHFFFAOYSA-N;136.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167864;MM167864;CC(CNNC=N)=NN;NJZLWSOZCKUIBT-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167865;MM167865;COCC(O)C(=NN)NN;NSNJFACQPHXRCP-UHFFFAOYSA-N;148.17;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167866;MM167866;CC(CNNC=N)=NO;OGSRHQYOZFJVEJ-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167867;MM167867;CC(CNNC=O)=NO;ZZAQCFJFPFEWOA-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167868;MM167868;C=CCOCC(C)=CC;SGWCHSYACANXAR-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167869;MM167869;CC=C(C)COCC=O;JLLRMLGLTZLGBL-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167870;MM167870;CC=C(C)COCC#N;OYJCNUYXWYNQCK-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167871;MM167871;C=CCOCC(C)=CF;DHWSLGJVHFRMEE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167872;MM167872;C=CCOCC(F)=CC;DQJZSJYPKIIXTP-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167873;MM167873;CC=C(F)COCC=O;WOTYDQPMTHUTMS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167874;MM167874;CC=C(F)COCC#N;URRBLKLFHAGEAM-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167875;MM167875;C=CCOCC(F)=CF;XFRVYECLLLVJNR-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167876;MM167876;O=CCOCC(F)=CF;QWTMRTRTMHCUHW-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167877;MM167877;N#CCOCC(F)=CF;FVSGTAFRRDLTNP-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167878;MM167878;C=CCOCC(C)=NN;UPWCUJIBKSTWHC-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167879;MM167879;C=CCOCC(C)=NO;HWVAWYSLQYCZIW-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167880;MM167880;CC(COCC=O)=NO;CTIPLTZRVFTDQU-UHFFFAOYSA-N;131.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167881;MM167881;CC=C(C)CONC=O;QAJWHBVMGVFPMW-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167882;MM167882;CC(CONC=O)=NN;YKAMQEFLLLJDPQ-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167883;MM167883;C=CCCNC(C)=NC;WWOLNGWDQHMLHK-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167884;MM167884;CN=C(C)NNCC=O;DHIPQQSKOZXFIX-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167885;MM167885;N#CCC(O)C#CC1CN1;UNVXZCJBJNHMJF-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167886;MM167886;CN=c1nc(CO)on1O;AAKVAASNCQOCOD-UHFFFAOYSA-N;145.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167887;MM167887;C=CCONC(C)=NC;CVCDXOUMSISPEO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167888;MM167888;C#CC1C(F)C1ON=CC;GEEBAYCEDUWGKP-UHFFFAOYSA-N;141.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167889;MM167889;NNC(=O)C1CC1;JFYKIEHOOZWARC-UHFFFAOYSA-N;100.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167890;MM167890;C=CCCOC(C)=CC;SXUYTFXIBQPFDH-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167891;MM167891;CC=C(C)OCCC=O;PPCJVXZPRMIVPF-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167892;MM167892;C=CCCOC(C)=CF;LVMNAHDJLVWMKW-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167893;MM167893;CC(=CF)OCCC#N;DYPSCHVVNSSYJD-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167894;MM167894;O=CNNC1CC1;GAWUPJMXNOIVLL-UHFFFAOYSA-N;100.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167895;MM167895;C=CCCOC(C)=NO;UNLDSDZTMPRRDB-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167896;MM167896;CC(=NO)OCCC=O;YXSHNFLRXWXLNP-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167897;MM167897;C=COCOC(C)=CC;QUGVTAFONIXKEY-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167898;MM167898;CC=C(C)OCOC=O;WEQDACGEQXGHBB-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167899;MM167899;C=COCOC(C)=CF;SAAOMLKWGSQGGT-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167900;MM167900;C=NOCOC(C)=CC;CHXCMBZECNTUFZ-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167901;MM167901;C=NOCOC(C)=CF;NTEAZAMVIXEMGE-UHFFFAOYSA-N;133.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167902;MM167902;CNNC(=O)N(C)C;SSQHORIAYAORNT-UHFFFAOYSA-N;117.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167903;MM167903;NNC(=O)C=CCO;JUHQWMIJZRWAQI-UHFFFAOYSA-N;116.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167904;MM167904;C#CCCCC(C)=CC;CBOFQOLHNDKIFK-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167905;MM167905;C#CCCCC(C)=CF;KVGDPXXLBHLQOK-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167906;MM167906;C#CCCCC(F)=CC;CIKIHODQXNIBFW-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167907;MM167907;C#CCCCC(F)=CF;QFKGHQWWLQGOSV-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167908;MM167908;C#CCCCC(C)=NN;ODIXAIWSUGLUER-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167909;MM167909;C#CCCCC(C)=NO;UXXDLQZNFJBXPZ-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167910;MM167910;C#CCNCC(C)=CC;PENJWTMUDWKKQN-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167911;MM167911;C#CCNCC(F)=CF;SEHKKBHNWYZCQG-UHFFFAOYSA-N;131.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167912;MM167912;C#CCOCC(C)=CC;WFOWTUQJXCXUHS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167913;MM167913;C#CCOCC(C)=CF;AZZWQUBVZXQUAZ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167914;MM167914;C#CCOCC(F)=CC;LIGABYIMQFSWBT-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167915;MM167915;C#CCOCC(F)=CF;JPDCUHZRIPSRTQ-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167916;MM167916;C#CCOCC(C)=NO;RDZXXDIINUBHCA-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167917;MM167917;C#CCCNC(C)=NC;VXWCIKPTUMXOIU-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167918;MM167918;C#CCCNC(C)=NN;CQSBBMGBTWMEJV-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167919;MM167919;C=NOCC(=O)C(N)=O;GGTRFQFUSXBFAO-UHFFFAOYSA-N;130.1;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167920;MM167920;C#CCONC(C)=NC;HEDDHBHDXXDRKN-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167921;MM167921;C#CCCOC(C)=CC;NECGJRAAILPPAG-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167922;MM167922;C#CCCOC(C)=CF;FXDOAZHEDMVZEH-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167923;MM167923;CC#CCCC(=O)NN;XGGDNQIQKGDUTN-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167924;MM167924;C#CCCOC(C)=NO;LXICJGYOLZCWAZ-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167925;MM167925;CC=CCCC(C)=CC;IHTXRFISZHYPCI-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167926;MM167926;CC=C(C)CCC=CF;AQKJDWVAYZOHIW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167927;MM167927;CC=CCCC(C)=CF;IEHKMRVAAJEEDH-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167928;MM167928;CC(=CF)CCC=CF;MKWKFLDFYQYXIV-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167929;MM167929;CC=CCCC(F)=CC;YSBYZLDHDCWNIW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167930;MM167930;CC=C(F)CCC=CF;JOIDSNQQXKGIDB-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167931;MM167931;FC=CCCC(F)=CF;QJSXJNGWVPISDP-UHFFFAOYSA-N;136.12;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167932;MM167932;CC=C(C)CCC=NN;UNXGXXBJUMZJBK-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167933;MM167933;CC=C(C)CCC=NO;LNEPVHDSSBLSAE-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167934;MM167934;CC(=CF)CCC=NN;HCLYROIPSXUYQV-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167935;MM167935;CC(=CF)CCC=NO;LAOYMUZIRQUKLI-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167936;MM167936;NN=CCCC(F)=CF;XPWWYKDYCBXXIW-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167937;MM167937;ON=CCCC(F)=CF;HIEGZBSUYAIZJU-UHFFFAOYSA-N;135.11;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167938;MM167938;CC=CCCC(C)=NN;MZOIEYWDTPQAAV-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167939;MM167939;CC(CCC=CF)=NN;MQPXIILMAPOILE-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167940;MM167940;CC=CCCC(C)=NO;RBGHXHCUFOBIEN-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167941;MM167941;CC(CCC=CF)=NO;BCBSSAYFOLRCMA-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167942;MM167942;CC(CCC=NO)=NO;QUVJZFKMCUDIHM-UHFFFAOYSA-N;130.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167943;MM167943;CC=C(C)CNC=NC;NYFZFIPKRMGBIA-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167944;MM167944;CC=C(C)CN=CNN;NHSWBHAQUATTDA-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167945;MM167945;CN=CNCC(C)=CF;DKOFXDYSQKRVRE-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167946;MM167946;CC(=CF)CN=CNN;CAJHAWBUVUZAOT-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167947;MM167947;CC=C(F)CNC=NC;ARSKHMSLFHQSDS-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167948;MM167948;CC(CN=CNN)=NN;JCGHEOCBKJTZOY-UHFFFAOYSA-N;129.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167949;MM167949;CN=CNCC(C)=NO;UAPLWQRNDJVFQN-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167950;MM167950;CC=NNCC(F)=CF;KDGUNDIONHEKCJ-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167951;MM167951;CC=COCC(C)=CC;WFEGASWYEGSGQK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167952;MM167952;CC=C(C)COC=CF;RFCSQYSRKJMDNH-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167953;MM167953;CC=COCC(C)=CF;GKQRKYPUMXVMRK-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167954;MM167954;CC(=CF)COC=CF;PSVQZWLWCJHPTI-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167955;MM167955;CC=COCC(F)=CC;OOONKEUUICBEFG-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167956;MM167956;CC=COCC(F)=CF;SBJKAZCVANPQFL-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167957;MM167957;FC=COCC(F)=CF;MINPBHWBPXGWOQ-UHFFFAOYSA-N;138.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167958;MM167958;NN=CC=CC(=O)NN;BOPWIRRJILVCBL-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167959;MM167959;CC=C(C)COC=NO;KTBAPKTUOMKRGB-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167960;MM167960;CN1C(=N)CC(O)C1=O;SHFYVPMMOGOUHN-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167961;MM167961;CC(=CF)COC=NO;DVDFFCOIXFRRMC-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167962;MM167962;Nc1c(F)cn(N)c1O;RVOSOJVYKSLREQ-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167963;MM167963;CC=C(F)COC=NO;MFPGAYSACBOYBY-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167964;MM167964;NN=c1oc(N)nn1O;VKMDRUJEXAIHDC-UHFFFAOYSA-N;131.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167965;MM167965;ON=COCC(F)=CF;OSHJAQJSVOPBST-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167966;MM167966;CC=COCC(C)=NN;ODZMSEQYAWYITA-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167967;MM167967;CC(COC=CF)=NN;NXGAQSITOMTARW-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167968;MM167968;CC=COCC(C)=NO;KAUOESMRQVJCFU-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167969;MM167969;CC=NOCC(C)=CC;UAQCMWCIBCTYDT-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167970;MM167970;CC=NOCC(C)=CF;VLZVCFZDZXXYON-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167971;MM167971;CC=NOCC(F)=CC;GTDOGBLOMLUSLK-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167972;MM167972;CC=NOCC(F)=CF;QLSVNJIRSKQNJA-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167973;MM167973;CC=CCNC(C)=NC;PFPJLTOAGUDHRZ-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167974;MM167974;CN=C(C)NCC=CF;WYSLSMWCVBTCGY-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167975;MM167975;CN=c1oc(F)nn1O;AXBXBGWVXSGIBU-UHFFFAOYSA-N;133.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167976;MM167976;CC(=NO)NCC=NO;PGNVQWUSLUGNEX-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167977;MM167977;CN=C(C)NNC=NN;MFXWCYNVBLWDLQ-UHFFFAOYSA-N;129.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167978;MM167978;CN=CNNC(C)=NN;OYPOQLMWDFNAJG-UHFFFAOYSA-N;129.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167979;MM167979;CC=CCOC(C)=CC;UTWIMEXEYJYPHQ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167980;MM167980;CC=C(C)OCC=CF;IPZPDKLKMPVLFX-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167981;MM167981;CC=CCOC(C)=CF;MWIXXCNNNIWZJM-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167982;MM167982;CC(=CF)OCC=CF;OUYVNCDYOTWMFU-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167983;MM167983;CC=C(C)OCC=NN;QGBWDFCSDPBTIG-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167984;MM167984;CC(=CF)OCC=NN;BYMJMNSQACIHGW-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167985;MM167985;C=C(C)C(C)NNC(N)=O;ZQVWSFYWNKAPPH-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167986;MM167986;CC(=NO)OCC=CF;PEMNHWKGHQDIMC-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167987;MM167987;CC(CCF)CC(=O)NN;NHKWNGZIFLORQG-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167988;MM167988;CC(=NO)OCC=NN;IPJPBQNNKHTECD-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167989;MM167989;C#CCC(N)=CC(=O)NN;KVZMNIPDNAJRGN-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167990;MM167990;C#CCC(=C)CNNC=O;CGHAGNMQWHIPHG-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167991;MM167991;CC(=NO)ON=CNN;QXCZALWDKZNFRV-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167992;MM167992;CC#CCCC(C)=CC;NLLMDMYPWBXWDK-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167993;MM167993;CC#CCCC(C)=CF;NRZVVGMRFABKOE-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167994;MM167994;CC#CCCC(F)=CC;OROKRIUQESUJNG-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167995;MM167995;CC#CCCC(F)=CF;DJSNWMYRDWVULW-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167996;MM167996;CC#CCCC(C)=NN;NKOVTBOHYZQAFA-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167997;MM167997;CC#CCCC(C)=NO;ZKFAYSVWXXGGCV-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167998;MM167998;CC#CCNC(C)=NC;PZVUIAITKGWSKF-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM167999;MM167999;CC#CCN=C(C)NN;CTPLFQRZNVYMAX-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168000;MM168000;CC#CCOC(C)=CC;UMLZIOWXLMBSPO-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168001;MM168001;CCC(O)(C=NOC)CO;CFXGALCGWMZDIX-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168002;MM168002;CC#CCOC(C)=NO;XHWYYZBCHYAYOJ-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168003;MM168003;CCC=CCC(C)CC;WIKISIXJZYUCHS-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168004;MM168004;CCC(C)CC=CCN;CJVMMVZVPDADEN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168005;MM168005;CCC(C)CC=CCO;IJHAREZQUMEAAZ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168006;MM168006;CCC=CCC(C)CN;NFVLXTUHDHIHKF-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168007;MM168007;CC(CN)CC=CCF;WPNOKZDFUGSTEC-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168008;MM168008;CC(CF)CCC(=O)NN;CSVJURINIOEYEA-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168009;MM168009;C=CC1(NC(=O)NN)CC1;UCRHIBYOZQLUEP-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168010;MM168010;CC(CF)CC=CCN;IABHYGFZNCIONU-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168011;MM168011;CC(CF)CC=CCO;AFRPVSGLECIERX-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168012;MM168012;CC(CF)CC=CCF;VDMHPAFLVJRFTF-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168013;MM168013;CCC=CCC(N)CC;GWPZIFAWAISRPE-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168014;MM168014;CCC(N)CC=CCN;BAJTWLZBGCZQDH-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168015;MM168015;CCC(N)CC=CCO;RCIZZHJYGDQVHP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168016;MM168016;CCC(N)CC=CCF;VBTGTEFOUUPKSO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168017;MM168017;CCC=CCC(N)CN;GLLVTNQBAKVMGN-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168018;MM168018;NCC=CCC(N)CN;NDRPYHSEPJXCGE-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168019;MM168019;NCC(N)CC=CCO;HBBIXZOHBSZTPV-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168020;MM168020;CCC=CCC(N)CO;PPORDHHXMQVWCG-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168021;MM168021;NCC=CCC(N)CO;CYMDCBNTQDOFIC-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168022;MM168022;NC(CO)CC=CCF;VVTCNBQYPHAPIL-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168023;MM168023;CCC=CCC(N)CF;XBFHZVPBFFLQSO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168024;MM168024;NCC=CCC(N)CF;RQYWHGMTPXNJNH-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168025;MM168025;NC(CF)CC=CCO;UOUHURKDJMMJCT-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168026;MM168026;N=C(NOC=O)C(O)CO;IJGUQUFCXFDXLH-UHFFFAOYSA-N;148.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168027;MM168027;CCC(O)CC=CCN;DQSNVKSHGHZHMT-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168028;MM168028;CCC(O)CC=CCO;IGSAYOVDDQRCFN-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168029;MM168029;NNC(=O)CCCCCF;IGRLAKWVPFFDPB-UHFFFAOYSA-N;148.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168030;MM168030;CCC=CCC(O)CN;FOUGHWSXZJVHLW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168031;MM168031;NCC=CCC(O)CN;NQHXPGUVJHRJJY-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168032;MM168032;NCC(O)CC=CCO;FNZXHHWIVSGMOU-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168033;MM168033;NCC(O)CC=CCF;PEEVMSACOGTGAM-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168034;MM168034;CCC=CCC(O)CO;WEOQNGYHGQQCOL-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168035;MM168035;NCC=CCC(O)CO;BXFGZMXMHRSWJQ-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168036;MM168036;OCC=CCC(O)CO;QPHRZZUOFVIXNJ-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168037;MM168037;CCC=CCC(O)CF;VCLKFLGWSCLDNB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168038;MM168038;NCC=CCC(O)CF;PQKYSLYNMJBTRZ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168039;MM168039;OC(CF)CC=CCF;SCAIGPBCTUDVNY-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168040;MM168040;CCC=CCC(F)CC;ZNRLIBGBSUUCLF-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168041;MM168041;CCC(F)CC=CCN;MOQGQHDRCXDXPU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168042;MM168042;CCC(F)CC=CCF;JAOYFFZKFBGBBP-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168043;MM168043;CCC=CCC(F)CN;JAPBWRFTIGPKAH-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168044;MM168044;NCC=CCC(F)CN;QKVKZTLWPSYXNN-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168045;MM168045;NCC=CCC(F)CO;RTDKNXQBUMYSTA-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168046;MM168046;OCC(F)CC=CCF;JOEYXBGXIPMZBG-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168047;MM168047;FCC=CCC(F)CF;PYZQPUQHPKMHKK-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168048;MM168048;C#CC(=O)NNC=NNC;AFNONGMHAHTYJM-UHFFFAOYSA-N;140.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168049;MM168049;CCC(N)CC=COC;CSZDZWVITHVLGD-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168050;MM168050;COC=CCC(N)CN;HASWDBMDIYLVAE-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168051;MM168051;COC=CCC(N)CO;SIHYPQJGOIQDRK-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168052;MM168052;CCC(O)CC=COC;OSICIPBXGXFOBM-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168053;MM168053;COC=CCC(O)CN;FBEARAGANLYLTD-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168054;MM168054;CCC(F)CC=COC;MAMNJZQLJJWRHT-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168055;MM168055;COC=CCC(F)CN;IYHWLGYMTKTUNJ-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168056;MM168056;COC=CCC(F)CO;UOTFWMAWYDUEDW-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168057;MM168057;COC=CCC(F)CF;ILYYLPRMRMHPHZ-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168058;MM168058;CCC=CCC(C)NC;MCEOHFKZRBUSIK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168059;MM168059;CNC(C)CC=CCN;OWPURNCSRBRLRJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168060;MM168060;CNC(C)CC=CCF;FZKBHMOMFIPZKK-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168061;MM168061;CNC(C)CC=COC;KVQYYABIIDRIHS-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168062;MM168062;CCC=CCC(C)OC;JXFVLRKMUHDHOT-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168063;MM168063;COC(C)CC=CCN;IQDGUDLHRFGATD-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168064;MM168064;COC(C)CC=CCO;QHDZNMDPPWMDNQ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168065;MM168065;COC(C)CC=CCF;ITRLARUIQSNVQP-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168066;MM168066;COC=CCC(C)OC;XKTQYKVUACIHPG-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168067;MM168067;CCC(C)CC=NNC;XLZAEHGPQOYMAK-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168068;MM168068;CCC(N)CC=NNC;PDSZSVFNCWVEES-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168069;MM168069;CNN=CCC(N)CN;YFUAKUSVTCKENX-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168070;MM168070;CNN=CCC(N)CO;OXCHGUALXLAQHW-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168071;MM168071;CNN=CCC(O)CN;WGRPUPGATDKHAB-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168072;MM168072;CC=CC=CNC(=O)NN;GVXDRJAAMAEEAU-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168073;MM168073;C=NNCC(C=O)NC=O;FJVFZHZARREFSH-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168074;MM168074;N=c1nnn(O)c(=N)n1N;UAQYKCKWYOOYGH-UHFFFAOYSA-N;143.11;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168075;MM168075;CNN=CCC(F)CF;SCDQDHMJVLGTFQ-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168076;MM168076;CCC(C)CC=NOC;ZTQRJCPEEAZWIK-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168077;MM168077;CON=CCC(C)CN;ZDNMPCOVPWJHNJ-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168078;MM168078;C#Cc1nc(O)n(C)c1C;BQXJNDMRVBKGKN-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168079;MM168079;CON=CCC(C)CF;CFFZPHDVWUQYLL-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168080;MM168080;CCC(N)CC=NOC;IARABVHXNZQAOB-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168081;MM168081;CON=CCC(N)CN;WJZLDKXRFSLVAL-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168082;MM168082;CON=CCC(N)CO;OZUOHDKRJAETKZ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168083;MM168083;CON=CCC(N)CF;SKZDDNOTMQPFBA-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168084;MM168084;CNc1nn(O)c(=NN)o1;LUBBTZHWRLTXNA-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168085;MM168085;CON=CCC(O)CN;SQMAVFKBBOBGGS-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168086;MM168086;CCC1=C(C)C(=NN)CO1;HFUBTKIMBZMNKP-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168087;MM168087;N=c1oc(F)nn1O;KHZCHTYZXHFKHM-UHFFFAOYSA-N;119.06;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168088;MM168088;CCC(F)CC=NOC;RKWAKTIUJCMMNC-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168089;MM168089;CON=CCC(F)CN;UZFDCHQVVUXHIY-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168090;MM168090;CNC(C)CC=NOC;SBPUTRLWFNSHHJ-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168091;MM168091;CON=CCC(C)OC;ZPXLQUKGJYJHIR-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168092;MM168092;CCN=CNC(C)CC;ZFDXZCMYBYSRIX-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168093;MM168093;CNN=CNC(C)CN;GKVLNUDDEHGSIS-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168094;MM168094;CCC=NNC(C)CC;KDWATQBOYJAKQY-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168095;MM168095;C=CCC(=O)NN(C)C;YMLWFDZEGUEJGA-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168096;MM168096;CCC=NNC(C)CN;NHKAMLJXJFBAKP-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168097;MM168097;CC(CN)NN=CCN;SJBJIZKPNBGQOH-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168098;MM168098;CC(CN)NN=CCO;GSGSHMOBCPXKOA-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168099;MM168099;CC1(NC(=O)NN)CC1;ZXWHXWSVHIKKKG-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168100;MM168100;C=C1CC(O)C(=O)N1N;GEKHYKHZMBCZEA-UHFFFAOYSA-N;128.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168101;MM168101;COC=NNC(C)CN;NQOGSIRRRLHHBB-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168102;MM168102;CCC=COC(C)CC;BJHRJZWIKIPAEA-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168103;MM168103;CCC(C)OC=CCN;KUADVMNVQAZIRU-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168104;MM168104;CCC(C)OC=CCO;ACOISMFLKYDUQI-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168105;MM168105;CCC=COC(C)CN;LMEKZTIFWAGXOM-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168106;MM168106;CC(CN)OC=CCO;MWTXMMKNEWPIPK-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168107;MM168107;CCC=COC(C)CO;RPSWUUIHTLNOLY-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168108;MM168108;CC(CO)OC=CCN;ZZMFSXQSYHWEJD-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168109;MM168109;CCC(C)OC=COC;ALHIXMRLQQOYEZ-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168110;MM168110;COC=COC(C)CN;WJJHTGOZKPHZKB-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168111;MM168111;COC=COC(C)CF;BCQTYIORKXRDNF-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168112;MM168112;CCC=COC(C)OC;KMOXTSVMPFISIB-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168113;MM168113;COC(C)OC=CCN;TZJDWXPDGOVGIG-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168114;MM168114;COC(C)OC=CCF;JKZHTNSETALSMQ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168115;MM168115;CNN=COC(C)CN;BXMCOKGQHCCLCN-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168116;MM168116;CCC(C)OC=NOC;OOHKCBRURGUSKM-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168117;MM168117;CON=COC(C)CN;ZPSNVGNVHGPEHV-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168118;MM168118;CC1CC1NC(=O)NN;PUFMAQDGKAKXQT-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168119;MM168119;CON=COC(C)CF;KYLFOWZIVIDQAD-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168120;MM168120;CCC=NOC(C)CC;ZJVVUKHZCMEPBL-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168121;MM168121;CCC(C)ON=CCN;BRSHEXIYPNRKTN-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168122;MM168122;CCC=NOC(C)CN;ZAELAYAMLXKRFX-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168123;MM168123;CC(CN)ON=CCN;QVDBYVNPDRECTO-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168124;MM168124;COc1nn(O)c(=N)o1;WFTUWJHJXOFMEK-UHFFFAOYSA-N;131.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168125;MM168125;CC1C(=O)NCC1=NN;PACKZLXDYHCRMO-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168126;MM168126;CCC(C)ON=COC;OCOFHUQVULDOMM-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168127;MM168127;COC=NOC(C)CN;KIPJHVGUAIGPKW-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168128;MM168128;NN=C1C=C(CF)OC1;ITWCEGGSMKNXTI-UHFFFAOYSA-N;130.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168129;MM168129;COC=NOC(C)CF;VYXDZGOUNKROAE-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168130;MM168130;CCC=NOC(C)OC;WNVDUIWCNZGQKI-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168131;MM168131;CCC=CCN(C)CC;RGPUIIWKEYUULC-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168132;MM168132;CCN(C)CC=CCO;ZGCWFUZDBXGIBL-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168133;MM168133;CCN(C)CC=COC;ZPLWVDUDUYJISP-UHFFFAOYSA-N;129.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168134;MM168134;CCN=CNN(C)CC;OYAGXMUUMAPDHS-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168135;MM168135;C=CC=CCC(C)CC;QRILOSUWNVBSGH-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168136;MM168136;CCC(C)CC=CC=O;KXROKJLIUFHIKQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168137;MM168137;CCC(C)CC=CC#N;RUEYSSFFTMEZQS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168138;MM168138;C=CC=CCC(C)CN;HAADGSBSQSABFP-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168139;MM168139;COc1cc(NN)n[nH]1;IKHUPUVPEQLADR-UHFFFAOYSA-N;128.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168140;MM168140;CCC(C)(O)C(O)C=NN;ZQVZNSOXAKSCNE-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168141;MM168141;C=NN(C)CC(O)C(C)=O;CZEBTZYWFCYOMB-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168142;MM168142;C=CC=CCC(C)CF;GILZYYIRHXPJOZ-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168143;MM168143;CC(CF)CC=CC=O;IFYGMSTWTSKNGH-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168144;MM168144;CC(CF)CC=CC#N;MLDRKNZWXVXCQY-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168145;MM168145;C=CC=CCC(N)CC;MZGUDVSEYJMFOC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168146;MM168146;C=CC=CCC(N)CN;OSOPVUQMMXNFOK-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168147;MM168147;C=CC=CCC(N)CF;XYNJCXIREHMFHX-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168148;MM168148;CNC(C#N)C(O)C(C)O;LLYULFIXVWOONL-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168149;MM168149;CC(O)C(O)C(C#N)=CN;LLHMRDHQHKFVKB-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168150;MM168150;NC(C=O)=NCC(O)C=O;GYUDQWLWMKCKRO-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168151;MM168151;C=CC=CCC(O)CO;CJWIJZDXIDCATP-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168152;MM168152;C=CC=CCC(O)CF;PFEQRAPXDMEDLO-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168153;MM168153;N#CC=CCC(O)CF;QMZVLBNYDYKAKQ-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168154;MM168154;C=CC=CCC(F)CC;YZRYNZJBCYVIID-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168155;MM168155;CCC(F)CC=CC=O;USFNQVFPOXOIHE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168156;MM168156;CCC(F)CC=CC#N;BDMWXMHIECTAMC-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168157;MM168157;C=CC=CCC(F)CN;FAYULCQNHSPBKQ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168158;MM168158;C=CC=CCC(F)CO;HJGPVDNTOUIGSC-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168159;MM168159;N#CC=CCC(F)CO;OJQKEFCIIMHODD-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168160;MM168160;C=CC=CCC(C)NC;CZUFTEKYDBNHNQ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168161;MM168161;CNC(C)CC=CC=O;AYDCLJVRODANPZ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168162;MM168162;C=CC=CCC(C)OC;FLFKDUPUKQDXDT-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168163;MM168163;COC(C)CC=CC=O;CNCMDARTWFWWGE-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168164;MM168164;COC(C)CC=CC#N;YWFUAGXPURZKLN-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168165;MM168165;C=NN=CCC(C)CC;HVSLZYBOFKNZLR-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168166;MM168166;C=NN=CCC(C)CN;UFMTWSLHJTZNPD-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168167;MM168167;C=NN=CCC(C)CO;YVSNCVFAGQZHER-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168168;MM168168;C=NN=CCC(C)CF;LAXGHRBYFUAVHR-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168169;MM168169;C=NN=CCC(N)CC;GRLGEAPZWBOMQZ-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168170;MM168170;C=NN=CCC(N)CN;DKNXOKZZKUUKQR-UHFFFAOYSA-N;128.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168171;MM168171;C=NN=CCC(N)CO;WBWVBNGXDLRBQG-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168172;MM168172;C=NN=CCC(N)CF;MEGMOEALMYQTPB-UHFFFAOYSA-N;131.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168173;MM168173;C=NN=CCC(O)CC;GMPFLGIXIKQLNF-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168174;MM168174;C=NN=CCC(O)CN;ZGVSPIBRRXOLBI-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168175;MM168175;C=NN=CCC(O)CF;YXASZSBACWADLR-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168176;MM168176;C=NN=CCC(F)CC;ORBRVANNNAWSGT-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168177;MM168177;C=NN=CCC(F)CN;HAWKBZQKTHWCQS-UHFFFAOYSA-N;131.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168178;MM168178;C=NN=CCC(F)CO;GUJFYOAMMOKGIC-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168179;MM168179;C=NN=CCC(F)CF;PBQYQHBYPORABY-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168180;MM168180;C=NN=CCC(C)NC;OYVLHNAWRVJGTL-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168181;MM168181;C=NN=CCC(C)OC;NCJGANLPRJGOBB-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168182;MM168182;CCC(C)NC=CC=O;KTWWPTZXLAQAHI-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168183;MM168183;CCC(C)NC=CC#N;GTVDNPNDHVYEJW-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168184;MM168184;CC(CF)NC=CC#N;JGQAFIQDSGBUQE-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168185;MM168185;CCC(C)N=CNC=O;OZULUHFAHCEYDM-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168186;MM168186;CC(CN)N=CNC=N;UWQUTEDXPXHIBT-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168187;MM168187;CC(CO)N=CNC=N;LBHDDRLOJYHGCN-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168188;MM168188;CC(CO)N=CNC=O;RFDUOWOEWOKDAQ-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168189;MM168189;C=CC1(O)C=NN(C=N)C1;CMCXRFKWELMOPB-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168190;MM168190;C=CC=NNC(C)CC;YGKGAXVURVWXJK-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168191;MM168191;CCC(C)NN=CC#N;QPZOODQYFXZKAE-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168192;MM168192;C=CC=NNC(C)CN;WGGBBCWYYHNJOG-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168193;MM168193;CN=C(C=O)NNC(C)=O;AQZGEOHXWPOQCK-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168194;MM168194;C=CC=NNC(C)CF;JHIGTCXVGGGCHY-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168195;MM168195;CC(CF)NN=CC#N;DRXPPAJXDDMKEM-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168196;MM168196;C=CC=COC(C)CC;BWDLUGLUXUHIMZ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168197;MM168197;CCC(C)OC=CC=O;CXDNZJUHRHIBFY-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168198;MM168198;CCC(C)OC=CC#N;MGFCQYCOWQSCHN-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168199;MM168199;C=CC=COC(C)CN;GLAMWHAOZTXAHE-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168200;MM168200;C=CC=COC(C)CO;FMUXWODTWNHKRK-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168201;MM168201;CC(CO)OC=CC=O;GMBQAAYOVJTOPY-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168202;MM168202;C=CC=COC(C)CF;MOCDTSYIZDZQQN-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168203;MM168203;CC(CF)OC=CC=O;RUMCQNMXSBWTFC-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168204;MM168204;CC(CF)OC=CC#N;QKNMKUFDAAYZFY-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168205;MM168205;C=CC=COC(C)OC;WSBVYKDZMSOEQJ-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168206;MM168206;C=NN=COC(C)CC;CJTFDQXICCWFMK-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168207;MM168207;C=NN=COC(C)CF;ONJXUHBZHKTUGM-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168208;MM168208;C=CC=NOC(C)CC;SXFOWWIMVRKGHH-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168209;MM168209;CCC(C)ON=CC=O;CWXDWWRPDNZJAB-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168210;MM168210;C=CC=NOC(C)CN;JIFJGXNQAWXANJ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168211;MM168211;CC=NNC(=N)C(O)CO;CXDILUIYLKYDLW-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168212;MM168212;CCNNC(=O)C1(C)CC1;WITFLHPSMFQRHL-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168213;MM168213;CC(CO)ON=CC#N;ZFNGTCGWCCXMDA-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168214;MM168214;C=CC=NOC(C)CF;AUVRVCKISBDJLS-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168215;MM168215;CC(CF)ON=CC#N;VPLRAFKGZNCQAN-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168216;MM168216;C=CC=NOC(C)OC;WQXLXENABATHTI-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168217;MM168217;C=CC=CCN(C)CC;SKQSGHJTCBTNIU-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168218;MM168218;CCN(C)CC=CC=O;KWTZGMSLFLXRAD-UHFFFAOYSA-N;127.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168219;MM168219;CCN(C)N=CNC=O;WWWDADVAXAOINT-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168220;MM168220;C#CC=CCC(C)CC;SHQCGOXWQYCVMU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168221;MM168221;C#CC=CCC(C)CN;ZAZBLVWXWBGLHA-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168222;MM168222;C=CC(CCO)NNC=O;YNPLLFPZJUFGMB-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168223;MM168223;C#CC=CCC(C)CF;WZLIIDXCNYGRFI-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168224;MM168224;C#CC=CCC(N)CC;GSRZAELQYKHPBM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168225;MM168225;C#CC=CCC(N)CF;FAHZKOANAFSBML-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168226;MM168226;CCNc1cc(C#N)[nH]n1;DEWSTWRLGWZBJM-UHFFFAOYSA-N;136.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168227;MM168227;C#CC=CCC(O)CF;QTMUCDJDTRCMTP-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168228;MM168228;C#CC=CCC(F)CC;RIYARIVGORHXAA-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168229;MM168229;C#CC=CCC(F)CN;NWCVKMAKEDSSJA-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168230;MM168230;C#CC=CCC(F)CO;RDNFZZLUVVZAKQ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168231;MM168231;C#CC=CCC(F)CF;UGJKSNVMWVYBOP-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168232;MM168232;C#CC=CCC(C)NC;GEJXVICXKRPKRN-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168233;MM168233;C#CC=CCC(C)OC;FQYIOGXCYURTEZ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168234;MM168234;C#CC=NNC(C)CC;JRRZGKRSDPSIAO-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168235;MM168235;C#CC=NNC(C)CN;VYGISIVWXOYFGR-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168236;MM168236;C#CC=NNC(C)CF;KFJNWVWSLXMCDT-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168237;MM168237;C#CC=COC(C)CC;UTQQOBZAOFFHSP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168238;MM168238;C#CC=COC(C)CN;MYSRSRXEKBJTDF-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168239;MM168239;C#CC=COC(C)CO;ALIHUJGUEVAUPD-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168240;MM168240;C#CC=COC(C)CF;QEZIMCRLONRXKJ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168241;MM168241;C#CC=COC(C)OC;FGGUACDYRKWTDS-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168242;MM168242;C#CC=NOC(C)CC;MRMVMEAXIUKZCL-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168243;MM168243;C#CC=NOC(C)CF;CJIJJRICIQUZDC-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168244;MM168244;C#CC=CCN(C)CC;KZSGTNXEAILAAL-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168245;MM168245;C=CC(C)CC=CCC;XODGSDFNOGRPQS-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168246;MM168246;C=CC(C)CC=CCN;BPAUPTAEJQTWSZ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168247;MM168247;C=CC(C)CC=CCO;XUICPCTTZQPWKN-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168248;MM168248;CCC=CCC(C)C=O;FSKAMRNPQVIVRP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168249;MM168249;CCC=CCC(C)C#N;KVNOZNJYFBLWIK-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168250;MM168250;CC(C=O)CC=CCF;GFVGCRAQJGPJEJ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168251;MM168251;CC(C#N)CC=CCF;WTJMEKGXZDOOPE-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168252;MM168252;C=CC(N)CC=CCC;KOCXCBXEWVXSIC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168253;MM168253;C=CC(N)CC=CCF;RKDNUTVWELHOAR-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168254;MM168254;CN=c1oc(OC)nn1O;QHFQQZPABBLHPI-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168255;MM168255;C=CC(O)CC=CCN;BJQNUVHJPBIKSP-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168256;MM168256;CCC=CCC(O)C#N;YUXSKEMGSIDZQR-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168257;MM168257;N#CC(O)CC=CCO;ZYOFZPSQYHWZHG-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168258;MM168258;N#CC(O)CC=CCF;PYKUTTWKGOQNIT-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168259;MM168259;C=CC(F)CC=CCC;CJFFZDOVOCGVRN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168260;MM168260;C=CC(F)CC=CCN;HUWDIGOVWGXQSL-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168261;MM168261;C=CC(F)CC=CCO;PLWWIQFPIWKFOJ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168262;MM168262;CCC=CCC(F)C=O;APMSSZUQJYLZMC-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168263;MM168263;CCC=CCC(F)C#N;FEAIJGUMYLKXBE-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168264;MM168264;N#CC(F)CC=CCF;PTZOPRIYFJMUCL-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168265;MM168265;C=CC(C)CC=COC;UJACKYCFIJGXJL-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168266;MM168266;COC=CCC(C)C#N;CKWOKBFPZQOWTO-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168267;MM168267;C=CC(N)CC=COC;URAZOCARBQCVGX-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168268;MM168268;C=CC(O)CC=COC;JJDANXSAVOKTCT-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168269;MM168269;COC=CCC(O)C=O;VDXQXGYFLNXQKQ-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168270;MM168270;C=CC(F)CC=COC;BGRAPSCAJDCQOQ-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168271;MM168271;COC=CCC(F)C=O;XMTKUYYFSVRXBY-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168272;MM168272;COC=CCC(F)C#N;YJECQHRCHBZQEH-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168273;MM168273;C=CC(C)CC=NNC;YSAXCYXLPUAPSY-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168274;MM168274;C#CC(O)C1C(C)N1N=C;DTXXIZIEANIFHP-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168275;MM168275;C=CC(C)CC=NOC;MWEPKGQHXPUMSW-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168276;MM168276;CN(C)NC(=O)C=CN;WBCIODWFZCKPNM-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168277;MM168277;C=CC(N)CC=NOC;GWNILLKFWRBCRZ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168278;MM168278;COC(C)=CC(=O)NN;KZLUTISBXSSPNO-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168279;MM168279;CC(O)C(C)NNC=O;VNPHGXOMIUJBEE-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168280;MM168280;C=CC(F)CC=NOC;MONOKGHCKHZQTO-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168281;MM168281;C=CC(C)NC=NCC;OCWUAKMZFYRAFD-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168282;MM168282;CCN=CNC(C)C#N;DTGIWUXLAJKTTG-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168283;MM168283;C=NNCC(O)C(C)=O;YVJHIZXVQRWCHY-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168284;MM168284;C=CC(C)NN=CCC;KMHLTMQMAKXEPK-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168285;MM168285;CCCNNC(=O)OC;RUBKYRHFPCLEBG-UHFFFAOYSA-N;132.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168286;MM168286;CCC=CNC(=O)NN;AAIWAJXINPJHFE-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168287;MM168287;N=c1nnc(=N)n(O)o1;QOHYIRWFONMHIA-UHFFFAOYSA-N;129.08;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168288;MM168288;C=CC(C)OC=CCC;RARWHRQHPQXROV-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168289;MM168289;C=CC(C)OC=CCN;FOZYNGDPCGDRIB-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168290;MM168290;C=CC(C)OC=CCO;GINYRPMLNCLLPO-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168291;MM168291;CCC=COC(C)C=O;TXLPEMZYFIYXIB-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168292;MM168292;CCC=COC(C)C#N;KIWYBLWHJOEBJD-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168293;MM168293;C=CC(C)OC=COC;CWGLYNRVADAIDU-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168294;MM168294;COC=COC(C)C=O;XEFPPFRBHUEHBI-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168295;MM168295;COC=COC(C)C#N;MKLMLKTZIYSQBP-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168296;MM168296;C=CC(C)OC=NOC;IVUDLLNIDGEHHI-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168297;MM168297;C=CC(C)ON=CCC;KASCXUWPCLRHLQ-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168298;MM168298;C=CC(C)ON=CCN;FSBNPXFPOFVMDF-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168299;MM168299;C#CC1=NNC(C)C1O;AHRRQKAXSINLNR-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168300;MM168300;CCC=NOC(C)C#N;QEEPDXWRNFYOKP-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168301;MM168301;CC1CC1N(C)NC=O;COHPWUVUOQCONM-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168302;MM168302;CCC(CO)NNC=O;WPVZXTYXPYYFSO-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168303;MM168303;C=CC1(NNC=O)CC1;FNHTXVYMXJFSFT-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168304;MM168304;C=CC(C)ON=COC;KCTHPEAHBKWGGB-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168305;MM168305;CCC=CCN(C)C=N;MHBQUHXTXZXICK-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168306;MM168306;CN(C=N)CC=CCO;CDWQVWHQYADXJK-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168307;MM168307;CCC=CCN(C)C=O;IDXSZRBJMWLKFT-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168308;MM168308;CN(C=O)CC=CCO;TZEHTWAIIIVJQA-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168309;MM168309;CCC=CCN(N)C=N;NXVJOQQLKPZEBR-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168310;MM168310;CCC=CCN(N)C=O;YXZVCFWRNFPMRH-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168311;MM168311;CNc1cc(C#N)[nH]n1;JGOKUSAEYZRXDZ-UHFFFAOYSA-N;122.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168312;MM168312;NN(C=O)CC=CCF;OIMRTVBKNNUKBD-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168313;MM168313;N=CN(O)CC=CCN;NVTQMEFNPLQEMC-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168314;MM168314;C=NN(C)CC=CCC;RHLWNGNIVYRQNT-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168315;MM168315;C#CC(O)C1CN1N=C;GZRRPZINGYXZOM-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168316;MM168316;C=NN(C)CC=COC;UPRYGQGIJDIYGU-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168317;MM168317;CNN=CCN(N)C=N;GQZCSPBDSFVWLX-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168318;MM168318;CON=CCN(C)C=N;BROLPCIDVWULSP-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168319;MM168319;CON=CCN(N)C=N;OGQMEBLOJZTNHB-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168320;MM168320;CON=CNN(C)C=N;VNVYFMDXWYGUSZ-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168321;MM168321;C=CC=CCC(C)C=C;BWRZWVKUVLLTAE-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168322;MM168322;C=CC(C)CC=CC=O;DUGOZVARZWCOOP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168323;MM168323;C=CC(C)CC=CC#N;IENWKNDUOLVLKN-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168324;MM168324;C=CC=CCC(C)C=O;DWJVLQFWUGQSRQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168325;MM168325;C=CC=CCC(C)C#N;SKFOLJNJGXQFME-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168326;MM168326;CC(C=O)CC=CC=O;CVTYHMNPNQMJOJ-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168327;MM168327;CC(C=O)CC=CC#N;BQQOOCFJUAZYIZ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168328;MM168328;CC(C#N)CC=CC=O;REGHIBZYFFJBBX-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168329;MM168329;CC(C#N)CC=CC#N;AZRGNTIABACTIE-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168330;MM168330;C=CC=CCC(N)C=C;CVNCTWHGLZBODD-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168331;MM168331;NN=CN=CNNC=O;QRIFJNVHIIWIRV-UHFFFAOYSA-N;129.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168332;MM168332;CC(C(O)C=O)N1CC1;MCZIXHRXVGZDAW-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168333;MM168333;C=CC=CCC(O)C#N;CFVLYCIAKDEYDS-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168334;MM168334;C=CC=CCC(F)C=C;SRKXHUHJGZMXCP-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168335;MM168335;C=CC(F)CC=CC#N;YPSVHZXHQXEUHD-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168336;MM168336;C=CC=CCC(F)C=O;BVONDGDIZRVUPI-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168337;MM168337;C=CC=CCC(F)C#N;KKIUWQWCVMGQNF-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168338;MM168338;N#CC(F)CC=CC=O;SUZUIJCOTDVFSG-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168339;MM168339;C=CC(C)CC=NN=C;FTGJPEYWPZPMQI-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168340;MM168340;CNCC(F)(C#N)C(N)=O;METRGHCUKCMDMW-UHFFFAOYSA-N;145.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168341;MM168341;C=NN=CCC(C)C#N;XTFGJSLHWKYNNY-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168342;MM168342;C=CC(O)CC=NN=C;UJASUIQHWNQTFI-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168343;MM168343;C=CC(F)CC=NN=C;HILCWUKROTXIIX-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168344;MM168344;C=NN=CCC(F)C#N;QHAATDZABVLSRZ-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168345;MM168345;C=CC(C)NC=CC#N;PUUNYRWCEURZBS-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168346;MM168346;C=CC(C)N=CNC=O;PKUCQPABMZOIBH-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168347;MM168347;CC(C=O)N=CN=CN;GZLMZHVPUMTJOW-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168348;MM168348;CC(C=O)N=CNC=O;ZOABKSYXQNNLRF-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168349;MM168349;CC1N(C(=O)NN)C1(C)C;BGQYIHRIGRDMPQ-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168350;MM168350;C=CC=NNC(C)C=C;JGJWYPQTOHHTSG-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168351;MM168351;C=CC(C)NN=CC#N;FGWPKKNVQIAFOJ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168352;MM168352;C=CCN(CC)NC(C)=O;KHSNLSGABUSFRT-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168353;MM168353;C=CC=COC(C)C=C;SBKNTZKNPLUIOK-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168354;MM168354;C=CC(C)OC=CC=O;AAZGOCFDMYEIGZ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168355;MM168355;C=CC(C)OC=CC#N;WLUNTJVHFMGJAQ-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168356;MM168356;C=CC=COC(C)C=O;MCKMHHAEANHLIJ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168357;MM168357;C=CC=COC(C)C#N;KGKVAZBECKWNHH-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168358;MM168358;C=CC(C)OC=NN=C;PSDOHAVDIOKAEK-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168359;MM168359;C=NN=COC(C)C=O;XVFSKLKDQOHQKV-UHFFFAOYSA-N;128.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168360;MM168360;C=NN=COC(C)C#N;MJYTYGIBJXTWJR-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168361;MM168361;C=CC=NOC(C)C=C;LDACCQQQOHTQNA-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168362;MM168362;C=CC(C)ON=CC#N;GWVZNNPOHXSLSY-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168363;MM168363;C=C(NC=O)OCC=NN;MBUBJFMQGYIQHY-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168364;MM168364;C=CC=CCN(C)C=N;XQIRPGWODPDNKZ-UHFFFAOYSA-N;124.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168365;MM168365;CN(C=N)CC=CC=O;OJLDACCHNPBKML-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168366;MM168366;C=CC=CCN(C)C=O;HIFWHMKLUYSGES-UHFFFAOYSA-N;125.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168367;MM168367;CN(C=O)CC=CC#N;GNLWXEBQFXBJGX-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168368;MM168368;C=CC=CCN(N)C=N;HACOWPUOKSKOJP-UHFFFAOYSA-N;125.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168369;MM168369;C=CC=CCN(N)C=O;JRPSLVTVJRAILI-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168370;MM168370;C=CC=CCN(C)N=C;BMFDOQLRBNUJKD-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168371;MM168371;C=NN(C)CC=CC#N;CGBSXXGMSIYTBG-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168372;MM168372;C=NN=CCN(N)C=O;DVKSJLNTPXUPAU-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168373;MM168373;C=NN=CCN(C)N=C;HJGZHYYJXNWVMR-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168374;MM168374;CN(C=O)NC=CC=O;QBCZCVVNOPOIMQ-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168375;MM168375;CN(C=N)N=CNC=N;NMJILFRMFQWYCV-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168376;MM168376;CNN(C=O)C(=O)C(N)=O;JAFKSPVUKFPGTA-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168377;MM168377;CN(C=O)N=CNC=N;RYECDOLYBWTJBO-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168378;MM168378;CN(C=O)N=CNC=O;FSGDJJKHEHFOFY-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168379;MM168379;C=NN=CNN(C)C=N;RAQOYDMBYJLIGO-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168380;MM168380;C#CC=CCC(C)C=C;XCOZAICZJSIHGL-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168381;MM168381;C#CC=CCC(C)C=O;AUJJOKIJOYJZMQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168382;MM168382;C#CC=CCC(C)C#N;DCEOAJDWAAYOIN-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168383;MM168383;C#CC=CCC(N)C=C;FJNUFUKXYORARU-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168384;MM168384;CC=NNCC(O)C(C)=O;XYOKUIQSWSSWFO-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168385;MM168385;C#CC=CCC(O)C#N;PMAYIULAGSMLHH-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168386;MM168386;C#CC=CCC(F)C=C;FSSWMOKFSZAONS-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168387;MM168387;C#CC=CCC(F)C=O;STFZUFONIRQLGQ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168388;MM168388;C#CC=CCC(F)C#N;ZXSUTODELXRSIU-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168389;MM168389;C#CC=COC(C)C=C;LMFJEQBXMLIDKW-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168390;MM168390;C#CC=COC(C)C=O;GDGNGSHGMJDAIY-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168391;MM168391;C#CC=COC(C)C#N;OFPVPPQVWFFNEH-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168392;MM168392;C#CC=NOC(C)C=C;UARGNCYYHZPYIM-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168393;MM168393;C#CC(C)CC=CCC;HZOBYNSDUBCEQQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168394;MM168394;C#CC(C)CC=CCN;PUNUHANKIQPJFF-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168395;MM168395;C#CC(C)CC=CCO;FWIWIJWGPFEDGD-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168396;MM168396;C#CC(C)CC=CCF;UYRWJYYDMVLXGG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168397;MM168397;C#CC(N)CC=CCC;RIKICZKFWHQCBS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168398;MM168398;C#CC(N)CC=CCN;QVXJCYCKMHHDKQ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168399;MM168399;C#CC(N)CC=CCF;MYZUKOKEERNDES-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168400;MM168400;C#CC(O)CC=CCC;CXCOVDQXTUGATG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168401;MM168401;C#CC(O)CC=CCN;LLYKWDDWRDULPE-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168402;MM168402;C#CC(O)CC=CCF;WMKHRSPMDLKEJY-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168403;MM168403;C#CC(F)CC=CCC;KKJWESCQWQSYPL-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168404;MM168404;C#CC(F)CC=CCN;UMMPIFUWFOMOMS-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168405;MM168405;C#CC(F)CC=CCO;XCGZULBZRUQMSC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168406;MM168406;C#CC(F)CC=CCF;NRCULASJDCKXFH-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168407;MM168407;C#CC(N)CC=COC;CYHLEMMTDYBOHM-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168408;MM168408;C#CC(O)CC=COC;QVGWYNYLWNYIJN-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168409;MM168409;C#CCC(O)C(=O)C(=N)N;JQLFSXBIFXLQNU-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168410;MM168410;C#CC(F)CC=NNC;WWVWOLOOWZEOJE-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168411;MM168411;C#CC(C)CC=NOC;RELGZPPPKBSGLU-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168412;MM168412;C#CC(F)CC=NOC;KZCVIWNDFVHKAU-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168413;MM168413;C#CC(C)NC=NCC;ZHIXFRJLUVDMNK-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168414;MM168414;C#CC(C)OC=CCC;OPFYEJURXPYBAF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168415;MM168415;C#CC(C)OC=CCN;JGOGKJCZLSDNAE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168416;MM168416;C#CC(C)OC=CCO;QUHFXOTWDSAFDU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168417;MM168417;C#CC(C)OC=COC;MOMUDSAQWDUDOA-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168418;MM168418;C#CC(C)OC=NOC;HHQYONUYRZSZDQ-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168419;MM168419;C#CC(C)ON=CCC;WUTJIMZZFMPYKZ-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168420;MM168420;C#CC(C)ON=COC;FVTVSMFUNSHKIY-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168421;MM168421;C#CC(C)CC=CC=C;JHIAJDVHTVOWHR-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168422;MM168422;C#CC(C)CC=CC=O;ZMYZKHDMAZKZKD-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168423;MM168423;C#CC(C)CC=CC#N;QEJKCJGHGKNHBD-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168424;MM168424;C#CC(N)CC=CC=C;KRKHCTQPDMVPTF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168425;MM168425;C#CC(O)CC=CC=C;ZQDMUMORTJEOFU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168426;MM168426;C#CC(O)CC=CC#N;CZQUADNMTBLGEV-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168427;MM168427;C#CC(F)CC=CC=C;ULROBWGGNHEVDP-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168428;MM168428;C#CC(F)CC=CC#N;PAXGDBUXYDYPLN-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168429;MM168429;C#CC(C)CC=NN=C;YXQPEIPFHSAYJT-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168430;MM168430;C#CC(N)CC=NN=C;GFPFFVFNCCGSIE-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168431;MM168431;C#CC(O)CC=NN=C;LFXHWTJJKYWBOS-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168432;MM168432;C#CC(F)CC=NN=C;FGVBKAQDUUQPDH-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168433;MM168433;C#CC(C)NC=CC=O;UXVNLAAKZJAVTP-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168434;MM168434;C#CC(C)NC=CC#N;URPPCVSYMGGDRI-UHFFFAOYSA-N;120.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168435;MM168435;C#CC(C)N=CNC=N;WNSYSGSWGQBWBX-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168436;MM168436;C#CC(C)N=CNC=O;FKNBSHFFZDDAIY-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168437;MM168437;C=CC(=O)C(O)CNN=C;GSEVCHSAKDGXSL-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168438;MM168438;C#CC(C)NN=CC#N;BUNHSLGDPVFMDP-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168439;MM168439;C#CC(C)OC=CC=C;HIYHBGNSNAQQRM-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168440;MM168440;C#CC(C)OC=CC=O;PMEUQGKPQOKSEE-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168441;MM168441;C#CC(C)OC=NN=C;RSSFTAFPLLXLSB-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168442;MM168442;C#CC(C)ON=CC=C;SMAIGGWQGREMFS-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168443;MM168443;C#CC(C)ON=CC#N;VODNEMOREDWPMR-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168444;MM168444;C#CC=CCC(C)C#C;JQIXQVYLOLDSDZ-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168445;MM168445;C#CC=CCC(N)C#C;UGEJIXPGWSGLMJ-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168446;MM168446;C#CC=CCC(O)C#C;HIMYZGZENJGINY-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168447;MM168447;C#CC=CCC(F)C#C;MSBJKSUVMJCLEI-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168448;MM168448;C#CC=COC(C)C#C;QXEBSIVYSHVQEM-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168449;MM168449;C#CC=NOC(C)C#C;BKNLVNGTTTUMGQ-UHFFFAOYSA-N;121.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168450;MM168450;C=C(CC)CC=CCC;HCMZMQVQIALAAW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168451;MM168451;C=C(CC)CC=CCN;VTNYBPSFELNKLR-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168452;MM168452;C=C(CC)CC=CCO;FWWZMTJXJVTBBO-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168453;MM168453;C=C(CC)CC=CCF;KFOSFFXYTPILOS-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168454;MM168454;C=C(CN)CC=CCC;AMAGKKWHBRJCBV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168455;MM168455;C=C(CN)CC=CCO;MCFNPSVOXXFNCU-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168456;MM168456;C=C(CN)CC=CCF;IVOXVULJEMTHJA-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168457;MM168457;C=C(CO)CC=CCC;DKSWNTAUXFTGIB-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168458;MM168458;C=C(CO)CC=CCF;LHOVXVZUXBUNMK-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168459;MM168459;C=C(CF)CC=CCC;VULQPDYMXMUEHX-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168460;MM168460;C=C(CF)CC=CCN;YHSVGWJITTXBRQ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168461;MM168461;CCC=CCC(=O)CC;UMMREFLKYDGCQB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168462;MM168462;CCC(=O)CC=CCO;FCYMTAJOCNIDDO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168463;MM168463;O=C(CO)CC=CCO;YBVXCJSSTWMIIB-UHFFFAOYSA-N;130.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168464;MM168464;O=C(CF)CC=CCF;ZBTLZCLSEYLOIV-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168465;MM168465;C=C(CN)CC=COC;PUHBIBZDAMGUFN-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168466;MM168466;C=C(CF)CC=COC;BSPQWTXPQVLSKC-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168467;MM168467;COC=CCC(=O)CO;WLSFAOSNEFVJOW-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168468;MM168468;COC=CCC(=O)CF;AGTICNUPWPNLKS-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168469;MM168469;CCC=CCC(=N)NC;ZJGBGDCNBSJPFE-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168470;MM168470;CCC=CCC(=N)NN;YFLGEHILMLVADM-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168471;MM168471;CCC=CCC(=N)NO;CYWYOQUYEISGFQ-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168472;MM168472;N=C(CC=CCN)NO;VNVCEQKNARQRHP-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168473;MM168473;CCC=CCC(=O)NC;DVSNBCRUZDLCRF-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168474;MM168474;CNC(=O)CC=CCF;ONLILUVFIRZNCP-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168475;MM168475;C#CC(ON=C)C(O)CO;QSBWCQVKMZOZIT-UHFFFAOYSA-N;143.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168476;MM168476;NCC=CCC(=O)NO;SBKNXLIINFKNFD-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168477;MM168477;COC=CCC(=N)NO;AXKMGRZHRNXDGE-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168478;MM168478;CC1C(C)N1CC(=O)NN;TVSFOZOPRPNCDA-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168479;MM168479;COC=CCC(=O)NO;BUMVBNOPQRLZTG-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168480;MM168480;C=C(CC=CCC)OC;QHXBAUUZBVBKFE-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168481;MM168481;C=C(CC=CCN)OC;CDBLDNUBGGGZAO-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168482;MM168482;CCC=CCC(=O)OC;XEAIHUDTEINXFG-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168483;MM168483;COC(=O)CC=CCF;SOKNCHNWRZMRSK-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168484;MM168484;C=C(CC=COC)OC;KEZWCZUINKZACG-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168485;MM168485;COC=CCC(=O)OC;BTZVWXOGAQUYQV-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168486;MM168486;CC=C(CNNC=O)OC;WZXZTDGGARLFHA-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168487;MM168487;C=C(CF)CC=NNC;CHNZGLGUUXDFII-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168488;MM168488;CN=c1nnc(=N)n(O)o1;FPXZVPYOVNTOBE-UHFFFAOYSA-N;143.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168489;MM168489;C=C(CC)CC=NOC;ZCYYNXDOFCYGNH-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168490;MM168490;N=c1nnc(=NN)on1O;SXHFQNIHVHATEU-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168491;MM168491;C=C(CF)CC=NOC;YSASDGNJAAGZRN-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168492;MM168492;C=COc1cc(NC)n[nH]1;VHGMJWCCDRZDNQ-UHFFFAOYSA-N;139.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168493;MM168493;CNN=CCC(=N)NN;XVHJULFNGYKYIQ-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168494;MM168494;N=c1on(O)c(=NN)n1O;UIOAXEQWLKLQNO-UHFFFAOYSA-N;147.09;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168495;MM168495;CNN=CCC(=O)NO;QDDAFTDNWADRMG-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168496;MM168496;CON=CCC(=N)NN;PVULIIQUOZPHMW-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168497;MM168497;CON=CCC(=N)NO;UBEPVXBMFZPKMK-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168498;MM168498;CCC1CC1OC(=O)NN;QFOACAHUJHWBAX-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168499;MM168499;CON=CCC(=O)NO;SJLJCLBDKRQWOI-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168500;MM168500;C=C(CC=NNC)OC;GYMJQDUKPUXSPE-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168501;MM168501;C=C(CC=NOC)OC;XALOWZAVJLIITD-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168502;MM168502;CCC=CNC(=N)CC;WMBAUDVMTOODBN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168503;MM168503;N=C(CN)NC=CCO;JAXHEEIZGNPBAI-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168504;MM168504;N=C(CN)NC=CCF;UQBZFEWAADCGRK-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168505;MM168505;N=C(CO)NC=CCN;GWJMNJXBAFVVQK-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168506;MM168506;N=C(CO)NC=CCO;XAPHTKDCALNANA-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168507;MM168507;N=C(CF)NC=CCN;BSOJDIDAYZPYJN-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168508;MM168508;CCC=CNC(=O)CC;DZRTZJOZKBODDI-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168509;MM168509;CCC(=O)NC=CCN;SIQXXIZOILNPDQ-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168510;MM168510;CCC(=O)NC=CCO;MFFCQSKMPDZIPO-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168511;MM168511;NCC=CNC(=O)CN;OIJUZRFVUIYXBQ-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168512;MM168512;O=C(CO)NC=CCO;LGHRVDTZVXTRJT-UHFFFAOYSA-N;131.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168513;MM168513;CCC=CNC(=O)CF;POUDEDUVLRQWFH-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168514;MM168514;NCC=CNC(=O)CF;ZRHIPFLYKNWYFO-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168515;MM168515;CCC(=N)NC=COC;GOIURFPRADWCPP-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168516;MM168516;COC=CNC(=N)CN;MWANSOKBAWTRIU-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168517;MM168517;COC=CNC(=O)CO;FBLUEDVGGCQVHY-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168518;MM168518;COC=CNC(=O)CF;WGWLYFQCJMSRGT-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168519;MM168519;CCC=CNC(=N)NC;CLDDMDUZQGKQAV-UHFFFAOYSA-N;127.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168520;MM168520;CNC(=N)NC=CCN;GJIWIWIJHLEATF-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168521;MM168521;CNC(=N)NC=CCO;TZNLOXFLYOSOEO-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168522;MM168522;N=C(NN)NC=CCO;UOCZMFJNVKWARV-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168523;MM168523;N=C(NN)NC=CCF;LYQTXMMLVUAJQH-UHFFFAOYSA-N;132.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168524;MM168524;N=C(NO)NC=CCN;PSIGVNMAFJPDGV-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168525;MM168525;N=C(NO)NC=CCO;LNJHDKIPBFKAIC-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168526;MM168526;CNC(=O)NC=CCN;OUSMVZAMPBPUDX-UHFFFAOYSA-N;129.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168527;MM168527;CNC(=O)NC=CCO;BNAAESGZRUHNJD-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168528;MM168528;CNC(=O)NC=CCF;RFKDTENCIWYJRJ-UHFFFAOYSA-N;132.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168529;MM168529;Cc1c(CC#N)cnn1C;MCSZASAYUGLBOY-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168530;MM168530;CCC1=NN=C(NC)NO1;FHIVELGFSGBZAA-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168531;MM168531;CN1CC(=O)C(O)C1;PPXHXEOEWWRYSO-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168532;MM168532;NCC=CNC(=O)NO;RFCJTGKGCLJZNQ-UHFFFAOYSA-N;131.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168533;MM168533;O=C(NO)NC=CCO;SZDIDWWWVJGDND-UHFFFAOYSA-N;132.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168534;MM168534;O=C(NO)NC=CCF;BWUDWKGNTHFICL-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168535;MM168535;COC=CNC(=N)NO;MYWDFKNOCCEQFD-UHFFFAOYSA-N;131.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168536;MM168536;N=c1nc(F)on1O;POQQYTDVJLLGFR-UHFFFAOYSA-N;119.06;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168537;MM168537;COC=CNC(=O)NO;IRDGSSKVTSBZTB-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168538;MM168538;COC(=N)NC=CCO;QLVPIGHOIXVUCY-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168539;MM168539;COC(=N)NC=CCF;NSWIJZGAVVNZMI-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168540;MM168540;CCC=CNC(=O)OC;VNYMKQWNOUINQH-UHFFFAOYSA-N;129.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168541;MM168541;COC(=O)NC=CCN;WVLBJYBWQCEGQR-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168542;MM168542;COC(=O)NC=CCO;IYUCDKPOOXESFI-UHFFFAOYSA-N;131.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168543;MM168543;COC=CNC(=O)OC;JIPKIZMGVZGDMK-UHFFFAOYSA-N;131.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168544;MM168544;C=C(CC)NC=NCC;QONGZHFABISSEV-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168545;MM168545;C=C(CF)NC=NCC;MDZBZMYFJIHWNK-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168546;MM168546;CCN=CNC(=N)CC;PWMNBBSORPZULH-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168547;MM168547;CCN=CNC(=N)CN;BAHOVYTVLJYULQ-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168548;MM168548;CCN=CNC(=N)CO;YQRLPZVDSLEGOX-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168549;MM168549;C=C(CC)N=CNNC;JEILFFRDZXVWLM-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168550;MM168550;N=c1oc(N)nn1O;ABCWZSXGOZJKON-UHFFFAOYSA-N;116.08;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168551;MM168551;C=CC1(O)C=NN(C)C1;NUXSZLNZDIBRRZ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168552;MM168552;CC(O)C(C)C(=O)NN;UGKWJBPFMLRBKU-UHFFFAOYSA-N;132.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168553;MM168553;CCC(=O)NC=NOC;JTGRAAXWNALAQF-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168554;MM168554;CON=CNC(=O)CO;SYFONCCVZQBXOW-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168555;MM168555;CCN=CNC(=N)NN;KVZGPMXCLYTUJP-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168556;MM168556;CCN=CNC(=N)NO;BAYUZDWOMVEZRA-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168557;MM168557;CCNNC(=O)N(C)C;GEEYGFHFNVJSMO-UHFFFAOYSA-N;131.18;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168558;MM168558;CNc1nn(O)c(=N)o1;AUIGQTPFWSOXBT-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168559;MM168559;CCN=CNC(=O)NO;XCUICRGFRBKGMG-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168560;MM168560;CNC(=N)NC=NOC;KPFFAEDUIUXDIC-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168561;MM168561;CON=CNC(=O)NN;YLGSCHHYUOXEED-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168562;MM168562;C=C(NC=NCC)OC;OXPCNQGBCJRSRX-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168563;MM168563;N#Cc1nn(O)c(=N)o1;YNUUGEZCZGEANO-UHFFFAOYSA-N;126.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168564;MM168564;C=CN=C1COC(=N)N1;HDUWOIZGHONAJX-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168565;MM168565;CN=c1oc(N)nn1O;WWUGRLGXTDTZSI-UHFFFAOYSA-N;130.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168566;MM168566;CCC=NNC(=O)CC;ZBIBUDCWIHLHOI-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168567;MM168567;CCC(=O)NN=CCN;FXYDYHVFRUMWHT-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168568;MM168568;NCC=NNC(=O)CN;BJFWTOAPAPKCIX-UHFFFAOYSA-N;130.15;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168569;MM168569;O=C(CO)NN=CCO;QCPNBKAAXSRWNI-UHFFFAOYSA-N;132.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168570;MM168570;O=C(CF)NN=CCO;QOAAJVMZOLAVQJ-UHFFFAOYSA-N;134.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168571;MM168571;CN=c1nc(F)on1O;SXHRPKOXLANWLQ-UHFFFAOYSA-N;133.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168572;MM168572;CNC(=N)NN=CCF;SJMBFYXHUZAVSE-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168573;MM168573;NNC(=O)NN=CCF;WHRINCNJHUETTI-UHFFFAOYSA-N;134.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168574;MM168574;O=C(NO)NN=CCF;ACMPUIZBSVYYOJ-UHFFFAOYSA-N;135.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168575;MM168575;COC(=O)NN=CCN;JYZYGIFTFOHZTR-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168576;MM168576;C=C(CC)OC=CCC;UJGFLGYQWXICAK-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168577;MM168577;C=C(CC)OC=CCN;DUMAXRYTBZUFSV-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168578;MM168578;C=C(CC)OC=CCO;NAQHKVFEUBHNBU-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168579;MM168579;C=C(CN)OC=CCC;JINLZBXXWKKVEE-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168580;MM168580;C=C(CF)OC=CCC;XDBWVOMPFINCQB-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168581;MM168581;C=C(CF)OC=CCO;MHCJMZLVDBQJNQ-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168582;MM168582;CCC=COC(=O)CC;FOYBIIGSMFEPRU-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168583;MM168583;CCC=COC(=O)CO;GDNQQMLKJROGGC-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168584;MM168584;NCC=COC(=O)CO;JCFPVIMXAKAZRO-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168585;MM168585;O=C(CO)OC=CCF;GVUSHJRLSRMVRL-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168586;MM168586;O=C(CF)OC=CCO;LKYHIHXPBZWGKE-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168587;MM168587;C=C(CC)OC=COC;FXDXEBPOLACZIO-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168588;MM168588;C=C(CF)OC=COC;PTICVCGWCLMOMK-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168589;MM168589;CCC=COC(=O)OC;PQVDOUPXKNFKOY-UHFFFAOYSA-N;130.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168590;MM168590;COC(=O)OC=CCF;BFLIGGMBQWTOID-UHFFFAOYSA-N;134.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168591;MM168591;COC=COC(=O)OC;NKNLBAPCGCBIJV-UHFFFAOYSA-N;132.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168592;MM168592;C=C(CN)OC=NNC;AARQPAMOFMYMRE-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168593;MM168593;CC1=C(C)C(=NN)CO1;HPGIIVZEHNNQIS-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168594;MM168594;C=C(CC)OC=NOC;QJVWQMDTPJNBKK-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168595;MM168595;C=C(CF)OC=NOC;ZRIDTNKQGKMHKW-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168596;MM168596;CON=COC(=O)CO;HMIRTZGYGVLLTN-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168597;MM168597;CNN=COC(=O)NN;YATBITMQQVJTRP-UHFFFAOYSA-N;132.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168598;MM168598;CCC(CO)C(=O)NN;CLSAJSSACJKBCC-UHFFFAOYSA-N;132.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168599;MM168599;CCC=NOC(=O)CC;QAZXKJLJDGSTAC-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168600;MM168600;NCC=NOC(=O)CO;JSSRENICFWOUTF-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168601;MM168601;O=C(CO)ON=CCO;FWOUBHZDHWIUBF-UHFFFAOYSA-N;133.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168602;MM168602;O=C(CO)ON=CCF;TYWVKEIQXNNHKL-UHFFFAOYSA-N;135.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168603;MM168603;CC(O)(CO)C(CO)=NN;STPGCWCDZRSVIE-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168604;MM168604;CCC(=O)ON=COC;UPOQMLLGZRNMGF-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168605;MM168605;C=CN(N)C(=O)CC(N)=O;HLIASTPHPDNEQN-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168606;MM168606;CC(O)C(=O)OCC=NN;PZXJZQJABXOABR-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168607;MM168607;N=c1oc(=O)c(F)nn1O;DQVHLLQOIBLBIU-UHFFFAOYSA-N;147.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168608;MM168608;CNC(=O)ON=CCO;RRIJNGYYVHEMKS-UHFFFAOYSA-N;132.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168609;MM168609;CCC=NOC(=O)NN;FREPEHHZQOWJOQ-UHFFFAOYSA-N;131.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168610;MM168610;NNC(=O)ON=CCF;CBOPXNIYGVRLGQ-UHFFFAOYSA-N;135.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168611;MM168611;CCC=NOC(=O)OC;CDIDACYBURBBSI-UHFFFAOYSA-N;131.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168612;MM168612;COC(=O)ON=CCN;DLRIHSACGPOYBV-UHFFFAOYSA-N;132.12;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168613;MM168613;CN(C)c1nn(O)c(=N)o1;OIJZLIHQTAXXBA-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168614;MM168614;C=CC=CCC(=C)CC;TYBKPVKIPGPPAG-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168615;MM168615;C=C(CC)CC=CC=O;RBYVRMKELVFRNG-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168616;MM168616;C=C(CC)CC=CC#N;LCUCKSYDBHSQSS-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168617;MM168617;C=CC=CCC(=C)CN;ZAINGWNSOGWZIJ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168618;MM168618;C=CC=CCC(=C)CO;VEUKIHVGYGQMHP-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168619;MM168619;C=C(CO)CC=CC=O;OIVUSZBTRFGKGE-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168620;MM168620;C=C(CO)CC=CC#N;IXETYLVHGRGDDA-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168621;MM168621;C=CC=CCC(=C)CF;KJSWQPIGQXEYKC-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168622;MM168622;C=C(CF)CC=CC=O;BLLSGIISNPNSKA-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168623;MM168623;C=C(CF)CC=CC#N;ICSFPOUPPXFFRS-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168624;MM168624;C=CC=CCC(=O)CC;MIQUCZIHWUYJDH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168625;MM168625;CCC(=O)CC=CC#N;LZWYMWQUIHZUIX-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168626;MM168626;N#CC=CCC(=O)CO;WTRDRXZUWNNAPM-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168627;MM168627;C=CC=CCC(=N)NC;SVVFFXLXLBVMGH-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168628;MM168628;CNC(=N)CC=CC#N;UEXMJDLXWMBMDU-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168629;MM168629;C=CC=CCC(=O)NC;YOVPOCLZLPJOPC-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168630;MM168630;CNC(=O)CC=CC=O;DZPMMZNSSQIDPS-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168631;MM168631;NC(CO)=NOC(=O)CO;FXRWKWSZERAFMY-UHFFFAOYSA-N;148.12;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168632;MM168632;C=CC=CCC(=O)NO;MXSZNRKUMRVPHI-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168633;MM168633;C=CC=CCC(=C)OC;BRNGSMXHVQVFJF-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168634;MM168634;C=C(CC=CC#N)OC;MYNZXJSSIIGRDY-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168635;MM168635;C=CC=CCC(=O)OC;FFACAHMRMSJQDK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168636;MM168636;COC(=O)CC=CC=O;MICDHOCTLBIAPK-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168637;MM168637;COC(=O)CC=CC#N;GBFAWZVRQCFBRW-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168638;MM168638;C=NN=CCC(=C)CC;OFYYUCWENGOJGF-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168639;MM168639;C=NN=CCC(=C)CN;YKBHRXLYBHLRQF-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168640;MM168640;C=NN=CCC(=C)CO;OJAROZGKLJGLBZ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168641;MM168641;C=NN=CCC(=C)CF;JNJODLMGDNXIIY-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168642;MM168642;CCC1(C)CN1C(=O)NN;USYWFBIHOICJEI-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168643;MM168643;C=NN=CCC(=O)CF;LNWIOYGWPIQXAE-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168644;MM168644;C=NN=CCC(=N)NC;JEMWXHMKFTXXRB-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168645;MM168645;C=CC1(O)C=NN(CC)C1;YHFVXEJNIDXYAS-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168646;MM168646;C=NN=CCC(=O)NO;QTIQUSABSNKCNG-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168647;MM168647;C=NN=CCC(=C)OC;NRUPWPSYFBXGFN-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168648;MM168648;C=NN=CCC(=O)OC;JXYSXZYYUMZUDL-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168649;MM168649;C=CC=CNC(=N)CC;GRWFWNSWMQBSCO-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168650;MM168650;CCC(=N)NC=CC=O;XXWGSIKYBGCZOG-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168651;MM168651;CCC(=N)NC=CC#N;PQOCSGXJSUUJPZ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168652;MM168652;NC(CO)=NC=CC=O;AWEHHFXSNMRSSK-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168653;MM168653;N#CC=CNC(=N)CO;DWDTVSJECHZSFA-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168654;MM168654;C=CC=CNC(=O)CC;VYZQHSQWRNMSHL-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168655;MM168655;CCC(=O)NC=CC=O;HMFWRZLUGZERNW-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168656;MM168656;C=CC=CNC(=O)CO;FOCMPXSFHGJFBR-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168657;MM168657;O=CC=CNC(=O)CO;YWQCIOANNQKVTG-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168658;MM168658;N#CC=CNC(=O)CO;MRPANOYYUZPXKL-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168659;MM168659;CNC(=N)NC=CC=O;UPGOSUBDHGUREB-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168660;MM168660;N=C(NO)NC=CC=O;MVAPBOZLCGFTGP-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168661;MM168661;CNC(=O)NC=CC=O;LOUZBOOBVKAAFK-UHFFFAOYSA-N;128.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168662;MM168662;O=CC=CNC(=O)NO;DNNAKJOWVIVPGP-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168663;MM168663;N#CC=CNC(=O)NO;DPPWIRPWSOTNCK-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168664;MM168664;COC(=O)NC=CC=O;BNGYXQDHERJHMB-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168665;MM168665;C=C(CN)N=CNC=N;VJOZATZKPMMSQW-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168666;MM168666;C=C(CN)N=CNC=O;DSGJQOINXPAPTC-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168667;MM168667;C=C(CO)N=CNC=N;PDFDPGHYQVJYSK-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168668;MM168668;C=C(CO)N=CNC=O;QHXRBLZZODUKSS-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168669;MM168669;C=C(CF)N=CNC=N;HAHMDGQWJJQFOH-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168670;MM168670;CCC(=N)N=CNC=N;SVLXAWXLHDNPAU-UHFFFAOYSA-N;126.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168671;MM168671;CCC(=N)N=CNC=O;AHXMQVCXSIRKDJ-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168672;MM168672;N=CNC=NC(=N)CN;QOZMYONIEUHRNS-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168673;MM168673;N=CNC=NC(=N)CO;GZSHNPWKHKJLOG-UHFFFAOYSA-N;128.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168674;MM168674;N=C(CO)N=CNC=O;VXOFXVMARQBDCS-UHFFFAOYSA-N;129.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168675;MM168675;N=CNC=NC(=N)CF;AHGXWVSPFUZUBJ-UHFFFAOYSA-N;130.13;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168676;MM168676;N=CN=CNC(=O)CO;JDVCFEBEEBLTQT-UHFFFAOYSA-N;129.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168677;MM168677;O=CNC=NC(=O)CO;OFWZQWOHIGICHN-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168678;MM168678;N=CN=CNC(=O)CF;COPGYLBMDQBQKP-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168679;MM168679;C#CC(C=C)CC(=O)NN;YMYJUWPJKAMDRA-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168680;MM168680;C=NN=CNC(=N)CC;GJQAEAKUXOCSMH-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168681;MM168681;C=NOCC(O)C(O)CO;SMOMPQIVOBZWIP-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168682;MM168682;CNC(=N)N=CNC=O;ZPMLNRQWHHFRIA-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168683;MM168683;N=C(N=CNC=O)NN;IHAVEECAYPTTCQ-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168684;MM168684;C=CC(ON=C)C(=O)CF;KPLMXMLQQPBZOC-UHFFFAOYSA-N;145.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168685;MM168685;N=CN=CNC(=O)NO;LSWGMEONTLYZKF-UHFFFAOYSA-N;130.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168686;MM168686;C=NN=CNC(=N)NN;OKHOYKAXDKUUSQ-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168687;MM168687;C=NN=CNC(=O)NN;CTJOVPQVGBPUMI-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168688;MM168688;C=NN=CNC(=O)NO;OHFZQOFFLDDGDY-UHFFFAOYSA-N;130.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168689;MM168689;C=C(N=CNC=N)OC;GZQWXGFURZPDQL-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168690;MM168690;C=CCC(CO)NNC=O;OSXGXIWHJRSJIQ-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168691;MM168691;COC(=O)NC=NC=N;XTQGQXMXXJVYLH-UHFFFAOYSA-N;129.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168692;MM168692;N=c1c(N)c(F)n(O)n1O;RIMCPXFWQBJOEY-UHFFFAOYSA-N;148.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168693;MM168693;CCC(=O)NN=CC=O;JHKAYNPHYFIRDS-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168694;MM168694;C=CC=NNC(=O)CF;MXVGVLDOGBRMBY-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168695;MM168695;N=c1n(O)oc(=NN)n1O;FRPPDWIRPGRSSA-UHFFFAOYSA-N;147.09;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168696;MM168696;C=CC=COC(=C)CC;BWXBTFRUYNPNDU-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168697;MM168697;C=C(CC)OC=CC=O;DKORMPURKQAGHC-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168698;MM168698;C=C(CC)OC=CC#N;VUOWUOYEACBGER-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168699;MM168699;C=CC=COC(=C)CN;MNTOYQPBGYAZNY-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168700;MM168700;C=CC=COC(=C)CO;JZDIFXGVRHUMQE-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168701;MM168701;C=CC=COC(=C)CF;QXCHZRLDXMAUKJ-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168702;MM168702;C=C(CF)OC=CC#N;JRRUMJWPBISPDM-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168703;MM168703;O=CC=COC(=O)CO;RDDJKMSLUZXZJM-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168704;MM168704;C=CC=COC(=O)CF;PTLWHZVVLZIUAP-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168705;MM168705;N#CC=COC(=O)CF;RHBIXIUIAMOBLV-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168706;MM168706;C=NN=COC(=C)CC;QXTOYHITPBJPIV-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168707;MM168707;C=NN=COC(=O)CC;OMIVZJHQLBCQNZ-UHFFFAOYSA-N;128.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168708;MM168708;C=NN=COC(=O)OC;AJGFYIXPTVXFJP-UHFFFAOYSA-N;130.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168709;MM168709;C=CC=NOC(=O)CC;ZKNVCWRESSCUOV-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168710;MM168710;C=CC=NOC(=O)CF;XYEYYSVFSJNUHA-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168711;MM168711;C=CC=NOC(=O)NN;TUCPGBUFQMYIQG-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168712;MM168712;C=CC=NOC(=O)OC;AXWRSUFVPYOSBG-UHFFFAOYSA-N;129.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168713;MM168713;C#CC=CCC(=C)CC;QTQAUCYSXFJDML-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168714;MM168714;C#CC=CCC(=C)CN;NIHDEZQKFMBJHQ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168715;MM168715;C#CC=CCC(=C)CO;IGFGAFOKTCTGTA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168716;MM168716;C#CC=CCC(=C)CF;OEULWCGQDIQMJC-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168717;MM168717;C#CC=CCC(=O)CC;HQHCITGFXRDYTI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168718;MM168718;C#CC=CCC(=O)CF;GAEDMRADUGLZKM-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168719;MM168719;C#CC=CCC(=N)NC;ZESBASBBILQUHQ-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168720;MM168720;C#CC=CCC(=N)NN;RQZHENJUZZUPKF-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168721;MM168721;C#CC=CCC(=N)NO;KBIGHRQTDCLXRV-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168722;MM168722;C#CC=CCC(=O)NC;XONDZVACDBXDES-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168723;MM168723;C#CC=CCC(=C)OC;ZIVLSJCQTIRVSI-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168724;MM168724;C#CC=CCC(=O)OC;QPHNCHKCOPRINV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168725;MM168725;C#CC=CNC(=N)CN;YDIFYJDFFCDLLO-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168726;MM168726;C#CC=CNC(=N)CO;LRHSSHRTAKTCMJ-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168727;MM168727;C#CC=CNC(=O)CO;UNQVLAKPQGDTNO-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168728;MM168728;C#CC=CNC(=O)CF;PSLQKNRRXRLAKT-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168729;MM168729;NN=CNc1noc(=O)o1;RXFYIBCLXOWZDL-UHFFFAOYSA-N;144.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168730;MM168730;C#CC=CNC(=O)NO;SNGQHKHBJMWVHQ-UHFFFAOYSA-N;126.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168731;MM168731;C#CC=CNC(=O)OC;IFVBSQOWUMUWMG-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168732;MM168732;C#CC=NNC(=O)CF;DSXDXIYLJFCFMH-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168733;MM168733;C#CC=COC(=C)CC;BJSNGBHNPUFYDD-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168734;MM168734;C#CC=COC(=C)CN;WDFJCBRKCLHISO-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168735;MM168735;C#CC=COC(=C)CO;IFZDAWVWPBDSDI-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168736;MM168736;C#CC=COC(=C)CF;HAAUZAWVTBDDEJ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168737;MM168737;C#CC=COC(=O)CC;WEXSBPXFGIVZTD-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168738;MM168738;C#CC=COC(=O)CO;RSICAKMKHZUCDV-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168739;MM168739;C#CC=NOC(=O)CF;DZUWYYSXSAMOMQ-UHFFFAOYSA-N;129.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168740;MM168740;C=CC(=C)CC=CCC;HDZSJDJMMFSVQY-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168741;MM168741;C=CC(=C)CC=CCN;YOEJGCLTDBGKCB-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168742;MM168742;C=C(C=O)CC=CCC;JRBKFJGGUGUDNJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168743;MM168743;C=C(C#N)CC=CCC;ZBSOEBQNDBGNAK-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168744;MM168744;C=C(C#N)CC=CCO;ARZQERLHQIVWTJ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168745;MM168745;C=C(C=O)CC=CCF;BNCHLSIDFGCYLB-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168746;MM168746;C=CC(=O)CC=CCC;VWYBQOFZVSNDAW-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168747;MM168747;C=CC(=O)CC=CCF;JFCDKXBEXXZRKK-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168748;MM168748;CCC=CCC(=O)C#N;OLKBSANJHBGBQL-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168749;MM168749;C=CC(=C)CC=COC;ISFIYFSJEVIQDL-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168750;MM168750;C=C(C#N)CC=COC;HVXFZAFUAGGVGG-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168751;MM168751;C=CC(=O)CC=COC;QKNINJXFADDYEH-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168752;MM168752;COC=CCC(=O)C=O;ZCBPEJOTEDEAJV-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168753;MM168753;C=C(C=O)CC=NNC;NPJYJKBTVQPOSW-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168754;MM168754;CN=c1oc(NC)nn1O;CWZGLUDFAIUVHZ-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168755;MM168755;C=CC(=C)CC=NOC;BIFLBYDECQQVJN-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168756;MM168756;C=C(C=O)CC=NOC;BEUXDVMGPARZPS-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168757;MM168757;C=C(C#N)CC=NOC;PRFBZOQPHRPRFE-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168758;MM168758;C=CC(=N)NC=CCC;PUTDGJSPPZBXDS-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168759;MM168759;C=CC(=N)NC=CCN;PCIAMXIYLHVTNA-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168760;MM168760;C=CC(=N)NC=CCO;BCURHQMALVXKCE-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168761;MM168761;CCC=CN=C(N)C=O;NJVQIRXKEBLHOR-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168762;MM168762;CCC=CNC(=N)C#N;GYJLLWFTHVTGAE-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168763;MM168763;CN=c1oc(C#N)nn1O;YNJFDTOWWXKARW-UHFFFAOYSA-N;140.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168764;MM168764;N=C(C=O)NC=CCF;TUTPJMIWNAWWGU-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168765;MM168765;C=CC(=O)NC=CCC;JAUZBSQZKCLTMZ-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168766;MM168766;C=CC(=O)NC=CCO;RKDUWYJWDQIWIC-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168767;MM168767;CCC=CNC(=O)C#N;QWMFULQAFUDTPW-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168768;MM168768;O=CC(=O)NC=CCO;FITYCCWGPNJJEK-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168769;MM168769;N#CC(=O)NC=CCO;JVWYTYLWFWYQCB-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168770;MM168770;O=CC(=O)NC=CCF;HYZIXBKKQGTUDA-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168771;MM168771;COC=CN=C(N)C=O;NEPUIHZVUMQRIV-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168772;MM168772;C=CC(=O)NC=COC;UCSPAXSWQBHMEV-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168773;MM168773;C=CC(=C)NC=NCC;LYULTYSWFBYMOJ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168774;MM168774;C#Cc1nn(O)c(=NC)o1;MFWUIABARGOJCT-UHFFFAOYSA-N;139.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168775;MM168775;C=CC(=N)NC=NNC;NYIVHZKBQNLVBH-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168776;MM168776;O=c1onc2cc[nH]cc1-2;VAHCOLJBVUNFAP-UHFFFAOYSA-N;136.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168777;MM168777;C=CC(=C)NC=NOC;PTENWVANGOHPBH-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168778;MM168778;C=CC1(O)C=NNC1;CVXWTQZGWFRMNQ-UHFFFAOYSA-N;112.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168779;MM168779;CNN=CC(C)(O)CF;JOGUHEQHKWVHNI-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168780;MM168780;C=CC(=O)NC=NOC;JFXFTTVZYGKGEX-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168781;MM168781;N=c1oc(F)c(F)n1O;BGDSVYUUAQGESK-UHFFFAOYSA-N;136.06;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168782;MM168782;N=c1oc(C=O)nn1O;NRIXTRGEIPKACH-UHFFFAOYSA-N;129.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168783;MM168783;C#Cc1nn(O)c(=N)o1;BUGXSYDLJDNDQT-UHFFFAOYSA-N;125.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168784;MM168784;C=CC(=O)NN=CCC;UKJKAZHKSDPBLE-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168785;MM168785;CCC=NNC(=O)C=O;PTKVZEKQWCSXIS-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168786;MM168786;N#CC(=O)NN=CCF;JGDDDWGIJNOKLA-UHFFFAOYSA-N;129.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168787;MM168787;C=CC(=C)OC=CCC;JVCYQIMMRAUZMP-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168788;MM168788;C=CC(=C)OC=CCO;IFMQXDUEUQFXQI-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168789;MM168789;C=C(C#N)OC=CCC;UIHGCSPPXFPTSY-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168790;MM168790;C=C(C=O)OC=CCO;UFWCGMBLFFQFQD-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168791;MM168791;C=CC(=O)OC=CCO;GWULEMDNJSVIDN-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168792;MM168792;C=CC(=O)OC=CCF;MHJJKABLLIPJLG-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168793;MM168793;O=CC(=O)OC=CCO;UHAFEJHSSDYMOW-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168794;MM168794;N#CC(=O)OC=CCO;ZKWLYSYUWXBXCN-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168795;MM168795;C=CC(=C)OC=COC;NQFIMSWUECTTLU-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168796;MM168796;C=C(C=O)OC=COC;DZFFMYNBJOGFEY-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168797;MM168797;C=C(C#N)OC=COC;FXECVCAWDHUVLR-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168798;MM168798;C=CC(=O)OC=COC;OZHSMXWRAGBFDP-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168799;MM168799;N=c1c(CN)non1O;JMGYWEZGARYOPB-UHFFFAOYSA-N;130.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168800;MM168800;CCON=CNNC=O;OEBHSDAONYXHIO-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168801;MM168801;C=CC(=C)OC=NOC;HNUPBBWYYAFGEL-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168802;MM168802;CON=COC(=O)C=O;BAMYQJLHPVSZSX-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168803;MM168803;C=CC(=O)ON=CCC;UNVKSXGWZHJLTQ-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168804;MM168804;CCC=NOC(=O)C=O;CCSCCLJYGOXTIZ-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168805;MM168805;COC=NOC(=O)C=O;HDZAEGICVSUMAR-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168806;MM168806;C=CC=CCC(=C)C=C;IXOHTUQMDCYUDE-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168807;MM168807;C=CC(=C)CC=CC=O;IOGGMULPRRHYEC-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168808;MM168808;C=CC(=C)CC=CC#N;VNGWLCWZAVCXKF-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168809;MM168809;C=CC=CCC(=C)C=O;QHHAYNOGUBRYPJ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168810;MM168810;C=CC=CCC(=C)C#N;LZSWSNURQSRZMM-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168811;MM168811;C=C(C=O)CC=CC=O;ZTNSNBMOPLQXOX-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168812;MM168812;C=C(C#N)CC=CC#N;RMDSVGGCAOKHSZ-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168813;MM168813;C=CC=CCC(=O)C=C;FGHCTPUXTNWTJX-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168814;MM168814;C=CC(=O)CC=CC=O;NVNKCMSEUVTGSI-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168815;MM168815;C=CC=CCC(=O)C#N;OMPOCFMJAVOQTP-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168816;MM168816;O=CC=CCC(=O)C=O;DOVINBQPWYWNBH-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168817;MM168817;N#CC=CCC(=O)C#N;HMFPWKCGWFUQRR-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168818;MM168818;C=CC(=C)CC=NN=C;JPPMFEIWMBPYTK-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168819;MM168819;C=NN=CCC(=C)C=O;GSADSPTXGDQKDZ-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168820;MM168820;C=NN=CCC(=C)C#N;UXNWCOQGYBKLMW-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168821;MM168821;C=CC(C)(O)CNNC=O;FAIHSEPKTSQITC-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168822;MM168822;C=NN=CCC(=O)C#N;DUFJPLZFJLYJFY-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168823;MM168823;C=CC=CNC(=N)C=C;SKHCZFAXDIQWBM-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168824;MM168824;C=CC(=N)NC=CC=O;OSFGBEPHJBWZLS-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168825;MM168825;C=CC(=N)NC=CC#N;ALIJWSGEKBUNME-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168826;MM168826;C=C(CNNC=O)C(C)O;YGYQVPDLHPMUGF-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168827;MM168827;C=CC=CNC(=O)C=C;SWVQNDJSLGLNDM-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168828;MM168828;C=CC(=O)NC=CC#N;QYEHAQPHIITWSH-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168829;MM168829;N#CC(=O)NC=CC=O;PEWSUBZXOLJJLS-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168830;MM168830;C=C(C=O)N=CNC=N;RTBOXKSHNRTGJT-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168831;MM168831;C=C(C#N)N=CNC=N;LYAIGQOSLVDIIP-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168832;MM168832;C=C(C=O)N=CNC=O;IBNJXLUAHYJVAH-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168833;MM168833;C=CC(=N)NC=NC=N;GDTLCRSJZNSTMI-UHFFFAOYSA-N;124.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168834;MM168834;C=C(F)C(=N)N(C)NC=O;NNXMERFCHOJEAO-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168835;MM168835;N#CCc1cn(O)c(=O)o1;FCVAVSTUWUKVGW-UHFFFAOYSA-N;140.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168836;MM168836;CC#Cc1nn(O)c(=N)o1;JWPSIEODCLVQRY-UHFFFAOYSA-N;139.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168837;MM168837;CC(=O)c1nn(O)c(=N)o1;XTYAXZNTOBCEIF-UHFFFAOYSA-N;143.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168838;MM168838;C=CC(=O)NC=NN=C;ZMGIWIMGURRJOJ-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168839;MM168839;C=CC(=O)NN=CC=O;OQVYAPNJOPPZIJ-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168840;MM168840;C=CC=NNC(=O)C#N;GORBVNDSYGROTC-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168841;MM168841;N#CC(=O)NN=CC=O;XBLPBFFEORIVBN-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168842;MM168842;C=CC=COC(=C)C=C;KEWZJPSWNXCUQQ-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168843;MM168843;C=CC(=C)OC=CC=O;NJBJONROKKYZOS-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168844;MM168844;C=CC(=C)OC=CC#N;KJKGULGXZLUPPO-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168845;MM168845;C=CC=COC(=C)C=O;MQDPLHNCTNRRQU-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168846;MM168846;C=CC=COC(=C)C#N;WONOOJGORNKSSR-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168847;MM168847;C=C(C=O)OC=CC#N;IKDYXKXQWRXIIE-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168848;MM168848;C=C(C#N)OC=CC#N;XCBXGARHUOVAPU-UHFFFAOYSA-N;120.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168849;MM168849;C=CC(=O)OC=CC=O;XICHHIFJNSEGML-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168850;MM168850;C=CC(=O)OC=CC#N;ZPXFOCJCWGLUAR-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168851;MM168851;C=CC=COC(=O)C=O;TVRJKHNOTZCBPR-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168852;MM168852;C=CC=COC(=O)C#N;GCBQACFBPCCLHA-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168853;MM168853;N#CC=COC(=O)C#N;KLPRNFQDSKONQB-UHFFFAOYSA-N;122.08;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168854;MM168854;C=CC(=C)OC=NN=C;IKHQURLGILNYSF-UHFFFAOYSA-N;124.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168855;MM168855;C=NN=COC(=C)C#N;OYKAIPKCYJSDNX-UHFFFAOYSA-N;123.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168856;MM168856;C=CC(=O)OC=NN=C;YEUCCWPOBWETRQ-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168857;MM168857;C=CC=NOC(=O)C=C;UCHBQNPMWBMDFJ-UHFFFAOYSA-N;125.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168858;MM168858;C#CC=CCC(=C)C=C;CPJVMWMCRRNWNM-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168859;MM168859;C#CC=CCC(=C)C=O;CQQYNNUIISPMPW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168860;MM168860;C#CC=CCC(=C)C#N;ZATCDTKZCLTBKU-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168861;MM168861;C#CC=CCC(=O)C=C;QYKQSXMORYAEOE-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168862;MM168862;C#CC=CNC(=N)C=C;LESSTASHJQYSSR-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168863;MM168863;C#CC=CNC(=N)C#N;ZMNGAIRECHVNDC-UHFFFAOYSA-N;119.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168864;MM168864;C#CC=CNC(=O)C=C;WHFBODVJQGMZLS-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168865;MM168865;C#CC=NNC(=O)C=C;RVTZBTJTDHVDOD-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168866;MM168866;C#CC=COC(=C)C=C;RCZWLFKBZVJJGY-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168867;MM168867;C#CC=COC(=C)C=O;LIFKAWLNPMTYHT-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168868;MM168868;C#CC=COC(=C)C#N;JGYIFLTVLFJUFQ-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168869;MM168869;C#CC=COC(=O)C=C;KQQDHSILYMYLGD-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168870;MM168870;C#CC=COC(=O)C=O;LXQORCMKFRUAKG-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168871;MM168871;C#CC(=C)CC=CCC;JUDZSAFFEQRMRY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168872;MM168872;C#CC(=C)CC=CCN;DHBIMBOZFZEPPA-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168873;MM168873;C#CC(=C)CC=CCO;UXKQPHCVYAPQCX-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168874;MM168874;C#CC(=O)CC=CCC;SIKUDFHMHYZADD-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168875;MM168875;C#CC(=O)CC=CCF;BVAZKUJCCFLECB-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168876;MM168876;C#CC(=C)CC=COC;FEXPBRFHGPAJGK-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168877;MM168877;C#CC(=O)CC=COC;XEJRBFQYBGCZGG-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168878;MM168878;C#CC(=C)CC=NNC;XUCVZNOWMVHUCM-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168879;MM168879;C#CC(=C)CC=NOC;SYRADJQKYDNKDE-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168880;MM168880;C#CC(=N)NC=CCC;ROTSYMFRYVIZDD-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168881;MM168881;C#CC(=N)NC=CCN;NXXDLIYPUVLOTJ-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168882;MM168882;C#CC(=N)NC=CCO;HCSBFEKBSKYTQZ-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168883;MM168883;C#CC(=O)NC=CCN;NHOZGJPERMHIGH-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168884;MM168884;C#CC(=O)NC=CCO;ZOPRJQYTHOAJOL-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168885;MM168885;C#CC(=C)NC=NCC;RNRQAUNHWUWTPV-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168886;MM168886;C#CC(=O)NN=CCF;WXMZACGFIMEQGD-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168887;MM168887;C#CC(=C)OC=CCC;DKHCASNMUUVASG-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168888;MM168888;C#CC(=C)OC=CCF;PQGKFFLETDACAA-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168889;MM168889;C#CC(=O)OC=CCN;KJIUDEBIPSSIPT-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168890;MM168890;C#CC(=O)OC=CCO;KYQUMXGXJZOVJI-UHFFFAOYSA-N;126.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168891;MM168891;C#CC(=C)OC=COC;IHTFNCDPVPGWFQ-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168892;MM168892;C#CC(=C)CC=CC=C;DKAWXKCSBRYNJD-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168893;MM168893;C#CC(=C)CC=CC=O;DSISXJGIUIQFNE-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168894;MM168894;C#CC(=C)CC=CC#N;HQZCKLKGEZKRIQ-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168895;MM168895;C#CC(=O)CC=CC=O;JJKQHIKFBLOHCO-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168896;MM168896;C#CC(=O)CC=CC#N;WQPRYYOPWSXPHZ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168897;MM168897;C#CC(=C)CC=NN=C;CWLNFNFCYLXJTD-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168898;MM168898;C#CC(=O)CC=NN=C;WPIDHBPXDLEJJX-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168899;MM168899;C#CC(=N)NC=CC=O;RWYFYQZPMAPMGN-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168900;MM168900;C#CC(=O)NC=CC=O;SAIMYVFJIYLUHE-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168901;MM168901;C#CC(=O)NC=NC=N;HBVKFIHCZZGBMS-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168902;MM168902;C#CC(=O)NC=NC=O;REVUJLDWRHATPW-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168903;MM168903;C#CC(O)C1NC1(C)C#C;MXEYSCFDZHGFCF-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168904;MM168904;C#CC(=O)NN=CC=C;AQOUYUXYATTWIW-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168905;MM168905;C#CC(=C)OC=CC=C;MUEJQJMZENTMCQ-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168906;MM168906;C#CC(=C)OC=CC=O;YZWNKXISPPYYQY-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168907;MM168907;C#CC(=C)OC=CC#N;RSQLFVSFUZGPEE-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168908;MM168908;C#CC(=O)OC=CC=C;JTHPCNVDXPVPJI-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168909;MM168909;C#CC(=C)OC=NN=C;PDAPZNGZLQDHOR-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168910;MM168910;C#CC=CCC(=C)C#C;QMRCMDXRRKWURQ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168911;MM168911;C#CC=CCC(=O)C#C;LAVBZMOWBQZYAF-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168912;MM168912;C#CC=CNC(=N)C#C;NJBKDGWIDVXVHC-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168913;MM168913;C#CC=COC(=C)C#C;BXUKQECOZWBGEV-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168914;MM168914;C#CC=COC(=O)C#C;PRCOINTXVJYHOG-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168915;MM168915;CC=C(C)CC=CCC;XBOHHNXJOSWRLB-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168916;MM168916;CC=C(C)CC=CCN;GMCYEEJYZNOKGY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168917;MM168917;CC=C(C)CC=CCO;ODFWDRWQZCCLET-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168918;MM168918;CC=C(C)CC=CCF;RYZKVMYHKUYXBF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168919;MM168919;CCC=CCC(C)=CF;QGQJYOFRRIPKEX-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168920;MM168920;CC(=CF)CC=CCN;YMZKKTVMRSQPRK-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168921;MM168921;CC(=CF)CC=CCO;WJYVJWOFRBAVAP-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168922;MM168922;CC(=CF)CC=CCF;FKFRWJLXASTRSZ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168923;MM168923;CC=C(F)CC=CCC;GBQIGIFBKCFCCD-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168924;MM168924;CC=C(F)CC=CCN;DJNVPZOJVMPVMA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168925;MM168925;CC=C(C)CC=COC;ZWCFBTOGLPSDMA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168926;MM168926;COC=CCC(C)=CF;MHQYJKGTRPKGLT-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168927;MM168927;CC=C(F)CC=COC;NEKAMBCQUONYAB-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168928;MM168928;CCC=CCC(C)=NN;MLWVRLLCPNVXNO-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168929;MM168929;CC(CC=CCF)=NN;LXASKVVWUDQEAR-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168930;MM168930;CCC=CCC(C)=NO;DMKPHBLNGCKDKX-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168931;MM168931;CC(CC=CCF)=NO;UXIYXSIBNDTVQK-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168932;MM168932;COC=CCC(C)=NN;MABNFEBUQONMQI-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168933;MM168933;COC=CCC(C)=NO;QGIBRDJGDLUCJI-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168934;MM168934;CC=C(C)CC=NOC;IMWLHVPARNMPJT-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168935;MM168935;CON=CCC(C)=CF;OYXGWFGTYVXESV-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168936;MM168936;CC=C(F)CC=NOC;BOJQXUKADFVZAB-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168937;MM168937;CON=CCC(C)=NN;XYWVLUOQJDQNJM-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168938;MM168938;CCC=CN=C(C)NC;MONFANHRIQZJDE-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168939;MM168939;CN=C(C)NC=CCO;QUQNLNVEFYNHAP-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168940;MM168940;CCC=CN=C(C)NN;IEKAACLHWYSUBO-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168941;MM168941;CCC=CN=C(C)NO;XZIGZEPZKOOKLF-UHFFFAOYSA-N;128.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168942;MM168942;CC(=NO)NC=CCN;ZZHMPWLZEPUJCW-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168943;MM168943;CC(=NC=CCO)NO;LVSJKGJBJZMOHU-UHFFFAOYSA-N;130.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168944;MM168944;CNC(C)=NC=COC;NOKGHYZFOIUDAO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168945;MM168945;CC=C(C)NC=NCC;LTYMOWNUKDCQLA-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168946;MM168946;CCN=CNC(C)=CF;NLJOIZBTDLZVTI-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168947;MM168947;CON=CNC(C)=CF;DFDRPYCCUDWRKZ-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168948;MM168948;CCN=CN=C(C)NC;CUBXTVKRPYIQCD-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168949;MM168949;CNN=CN=C(C)NC;VUYMYVHWGSRBLQ-UHFFFAOYSA-N;128.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168950;MM168950;NN=C1CC(O)(CO)CO1;YTWGUMOVDLBVGK-UHFFFAOYSA-N;146.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168951;MM168951;CC=C(CC)NC(=O)NN;XAGSMQMJUIGYJC-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168952;MM168952;CC(O)(C=NN1CC1)CF;JYEKKRYFCUDREP-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168953;MM168953;C=COCC(C)NNC=O;FPMAWBQVHVAOIW-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168954;MM168954;CC=C(C)OC=CCC;IEVCCWFPWNZVBB-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168955;MM168955;CC=C(C)OC=CCN;RMROIAMNDNQEJE-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168956;MM168956;CC=C(C)OC=CCO;XFZBVOKYJIZMOO-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168957;MM168957;CCC=COC(C)=CF;OEHYOERJPHWXOK-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168958;MM168958;CC(=CF)OC=CCN;LQUDCLSCIYSKFA-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168959;MM168959;CC(=CF)OC=CCO;KAALAFLAARGZND-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168960;MM168960;CC=C(C)OC=COC;HKFXYMAVPDNEEY-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168961;MM168961;COC=COC(C)=CF;BSNUHOQGEZUSRT-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168962;MM168962;C=COCC(C)C(=O)NN;ILALXMKQWYWBBE-UHFFFAOYSA-N;144.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168963;MM168963;C=NOCC(=O)N(N)C=O;AKROAHKXUAEXLR-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168964;MM168964;CCC=COC(C)=NO;VWUXSLPUDJQMJS-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168965;MM168965;CC(=NO)OC=CCO;FTAPBOFYMQJZNK-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168966;MM168966;CNN=CC(F)C(O)CO;RYDBQBNZZSUDFO-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168967;MM168967;CC=C(C)OC=NOC;XBQROOPDGXCOIV-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168968;MM168968;CON=CC(F)C(O)CO;BYYBRXYBUSKQIF-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168969;MM168969;NNC(=O)C=CCCCF;CCNCITHWQJNZIM-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168970;MM168970;C#CC#Cc1nc(C)c[nH]1;ZIWHRXYBALKNOE-UHFFFAOYSA-N;130.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168971;MM168971;CC(=NO)ON=CCN;YLDJUYSKACQEOA-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168972;MM168972;CC(=NO)ON=CCO;RQYXPWZPFLDTGR-UHFFFAOYSA-N;132.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168973;MM168973;C=CC=CCC(C)=CC;ULPNRNDNQHGTQC-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168974;MM168974;CC=C(C)CC=CC=O;ZEUPLCZUVULAQU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168975;MM168975;CC=C(C)CC=CC#N;WDFFJGPPPMJYBX-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168976;MM168976;C=CC=CCC(C)=CF;OHIXJWXDBZWPBI-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168977;MM168977;CC(=CF)CC=CC#N;RPZVHEPYGFOLLM-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168978;MM168978;C=CC=CCC(F)=CC;AZYQZZQSKUJPQB-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168979;MM168979;CC=C(F)CC=CC=O;ATQJXMDAJMIBAL-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168980;MM168980;C=CC=CCC(F)=CF;OVSPUHKICODLQL-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168981;MM168981;O=CC=CCC(F)=CF;XXISUQBBJUYUMZ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168982;MM168982;N#CC=CCC(F)=CF;IUIUJDVGVAYEEE-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168983;MM168983;C=CC=CCC(C)=NN;KECFZNKYWMQCJH-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168984;MM168984;C=CC=CCC(C)=NO;XNSDIECMIHWGGJ-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168985;MM168985;CC(CC=CC#N)=NO;RSIDKHSRBOAXBY-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168986;MM168986;C=NN=CCC(C)=CC;VGHNJXVMDUIFMR-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168987;MM168987;C=NN=CCC(C)=CF;HZRSUEFWVJONGH-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168988;MM168988;C=NN=CCC(F)=CC;QKKKYBIRZNVHIL-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168989;MM168989;C=NN=CCC(F)=CF;LNUPYRGUIWANHX-UHFFFAOYSA-N;132.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168990;MM168990;C=NN=CCC(C)=NN;JNOXLURYCBYZEO-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168991;MM168991;C=NN=CCC(C)=NO;BEDBITJBQZARHK-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168992;MM168992;C=CC=CNC(C)=NN;MMPMHFOCZBQEBI-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168993;MM168993;CC(=CF)N=CNC=O;YKHBWBCVMYLMKK-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168994;MM168994;CC(N=CNC=N)=NN;SIXQIPBGIZKUPS-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168995;MM168995;CC(N=CNC=O)=NN;KMUVVUARSUPHSZ-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168996;MM168996;CC(N=CNC=N)=NO;UNFNKLOTNJKLAN-UHFFFAOYSA-N;128.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168997;MM168997;CC(N=CNC=O)=NO;MMGBDSYCDZPLSL-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168998;MM168998;C=NNc1cc(CF)on1;WRFVWPWHDKFDKX-UHFFFAOYSA-N;143.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM168999;MM168999;C=CC=COC(C)=CC;JUACHXPTDOSQFU-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169000;MM169000;CC=C(C)OC=CC=O;UWKOUPKBSIIQTP-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169001;MM169001;CC=C(C)OC=CC#N;AUVWTXKWCJCAMN-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169002;MM169002;C=CC=COC(C)=CF;DSZHLLOHWFFFAA-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169003;MM169003;CC(=CF)OC=CC=O;QROMLOKRHRCOIC-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169004;MM169004;CC(=CF)OC=CC#N;XDABWWMRJXLVJK-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169005;MM169005;CN=c1n(O)oc(=N)n1O;LUEWJVWMOPUCMG-UHFFFAOYSA-N;146.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169006;MM169006;C=CC=COC(C)=NO;WJGGFJDGDRUVHO-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169007;MM169007;C=NN=COC(C)=CC;ZBJWDFURONBXPE-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169008;MM169008;C=NN=COC(C)=CF;SWISIIRYHDZAFB-UHFFFAOYSA-N;130.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169009;MM169009;N=c1c(=NN)n(O)on1O;GVYDBGVAVUFQDE-UHFFFAOYSA-N;147.09;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169010;MM169010;C#CC=CCC(C)=CC;IUNDRTJIFVHKEU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169011;MM169011;C#CC=CCC(C)=CF;HLHSNFLKAGCNEX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169012;MM169012;C#CC=CCC(F)=CC;YBTOVRWXLPNIRP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169013;MM169013;C#CC=CCC(F)=CF;PQZLBZZXBMXBII-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169014;MM169014;C#CC=CCC(C)=NN;HRQZPQKASBBYPV-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169015;MM169015;C#CC=CCC(C)=NO;XIAORTLKNLRLEJ-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169016;MM169016;CN=c1oc(C=O)nn1O;RBUNGGQKSRZUME-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169017;MM169017;C#CC=COC(C)=CC;IMSDVJBPNMLSIS-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169018;MM169018;C#CC=COC(C)=CF;NZEDWPSCOZOXOO-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169019;MM169019;C#Cc1nc(=NN)n(O)o1;FVXFZENHJCYPCF-UHFFFAOYSA-N;140.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169020;MM169020;CCC#CCC(C)CC;LDZYCPWLKDNBLI-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169021;MM169021;CCC(C)CC#CCN;BYRJCGNMVTZTBN-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169022;MM169022;CCC(C)CC#CCO;XWONDUCEXZEACK-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169023;MM169023;CCC(C)CC#CCF;OIBPHQZWQLRCGO-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169024;MM169024;CCC#CCC(C)CN;PGJXKFIVNSUYKC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169025;MM169025;CC(CN)CC#CCF;FLEBRPZOHYUBGG-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169026;MM169026;N#Cc1[nH]nc(NO)c1N;XCOPQJVYFTWMGJ-UHFFFAOYSA-N;139.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169027;MM169027;C=NN1CC(O)(CF)C1;QNWQRGUWCKVVAP-UHFFFAOYSA-N;132.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169028;MM169028;CC(CF)CC#CCN;MZGACFQXBROPCI-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169029;MM169029;CC(CF)CC#CCO;KSEZUVPRNNGGMD-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169030;MM169030;CC(CF)CC#CCF;FPOQZRFLWCWPFM-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169031;MM169031;CCC#CCC(N)CC;UXQQWXHRYPXHLX-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169032;MM169032;CCC(N)CC#CCF;TZJXTYSUPZYXDZ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169033;MM169033;CCC#CCC(N)CN;ORYXMXACHLAOIQ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169034;MM169034;NCC#CCC(N)CN;BCWNSFSDCYWWEB-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169035;MM169035;NCC(N)CC#CCO;VFFHAEFNTWGVJN-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169036;MM169036;NCC(N)CC#CCF;GNWBURYTXGGZDU-UHFFFAOYSA-N;130.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169037;MM169037;NCC#CCC(N)CO;OVUPYZQQAVVIEH-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169038;MM169038;NC(CO)CC#CCO;XXZMXAUVUHNHFG-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169039;MM169039;NC(CO)CC#CCF;BWPZVMUQHMIIKH-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169040;MM169040;CCC#CCC(N)CF;OKYUNNNTVLIFMQ-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169041;MM169041;NCC#CCC(N)CF;RMTBVGXYSCNDIR-UHFFFAOYSA-N;130.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169042;MM169042;NC(CF)CC#CCO;JOKNGXSBVVWASX-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169043;MM169043;NC(CF)CC#CCF;SWTFXSGVMWUZLG-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169044;MM169044;N=c1on(O)c(=N)n1O;WGWKIWRRNVNOGF-UHFFFAOYSA-N;132.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169045;MM169045;CCC(O)CC#CCO;HCTXAMQLGMSUFE-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169046;MM169046;C=C1C(=N)N(O)CC1=O;GFYWKICEINYRTF-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169047;MM169047;NCC#CCC(O)CN;PLLLYWMEYCHMDU-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169048;MM169048;NCC(O)CC#CCO;OISYCSYFSAHXCY-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169049;MM169049;NCC(O)CC#CCF;UHIHMTOZULTHCI-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169050;MM169050;NCC#CCC(O)CO;BKWWHXOFNCFONJ-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169051;MM169051;OCC#CCC(O)CO;OKMPYZHMTKIVJD-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169052;MM169052;OCC(O)CC#CCF;INDRJLLQTNUBBW-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169053;MM169053;OCC#CCC(O)CF;SMUWGAPKOMMACL-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169054;MM169054;OC(CF)CC#CCF;VCUKDAWUONSXRD-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169055;MM169055;CCC#CCC(F)CC;ZIRIMZBLDIVBMO-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169056;MM169056;CCC(F)CC#CCN;RMDKYGPMGHYDTR-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169057;MM169057;CCC(F)CC#CCO;BSPGODPJWHJYCA-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169058;MM169058;CCC(F)CC#CCF;WKTRJJRJHQCJDJ-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169059;MM169059;CCC#CCC(F)CN;PYGQYTMLBDXZEU-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169060;MM169060;NCC#CCC(F)CN;YBJLSWKIQXUYCD-UHFFFAOYSA-N;130.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169061;MM169061;NCC(F)CC#CCO;GGPIHRHQONFPOR-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169062;MM169062;NCC(F)CC#CCF;BODYBSZGZRVJRQ-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169063;MM169063;CCC#CCC(F)CO;NGNRCJZIXQOPRV-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169064;MM169064;NCC#CCC(F)CO;VVOYNPCKVOLSNZ-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169065;MM169065;OCC#CCC(F)CO;CARLUVYHIRNMBE-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169066;MM169066;OCC(F)CC#CCF;UGDMUYURMWOYAQ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169067;MM169067;CCC#CCC(F)CF;WIZHNXIEMNVHHO-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169068;MM169068;NCC#CCC(F)CF;NRBMQYBJEDRNMJ-UHFFFAOYSA-N;133.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169069;MM169069;OCC#CCC(F)CF;IZAFMJZPKLIVQF-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169070;MM169070;FCC#CCC(F)CF;JEPHVPXJIBATIU-UHFFFAOYSA-N;136.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169071;MM169071;CCC#CCC(C)NC;WXOXEZCENWLXML-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169072;MM169072;CNC(C)CC#CCF;XBOIFKSSISBIHF-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169073;MM169073;CCC#CCC(C)OC;BOARPVKZNFFRLQ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169074;MM169074;COC(C)CC#CCN;QHSZSNKWYFPADZ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169075;MM169075;COC(C)CC#CCO;NABBZQJCNSIUMO-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169076;MM169076;COC(C)CC#CCF;DBMIEYHJSRBTKF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169077;MM169077;CCC#CCN(C)CC;MIVQYHSZBPTPHT-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169078;MM169078;CCN(C)CC#CCF;GEMLBAWSDKNQIL-UHFFFAOYSA-N;129.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169079;MM169079;C=CC#CCC(C)CC;ULSVXJHHYCCMAS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169080;MM169080;CCC(C)CC#CC=O;CNKINPLAZHGXCF-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169081;MM169081;CCC(C)CC#CC#N;LRTNGVHAVQTPLB-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169082;MM169082;C=CC#CCC(C)CN;ZUFIQCAYDQRGEE-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169083;MM169083;N=c1oc(CN)nn1O;RFKYCGPVULVRBF-UHFFFAOYSA-N;130.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169084;MM169084;C=CC#CCC(C)CF;OZGOWUYNTBWQMA-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169085;MM169085;CC(CF)CC#CC=O;XGGYAXFOJPOEMH-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169086;MM169086;C=CC#CCC(N)CC;SRFSIFMUZMKSAX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169087;MM169087;C=CC#CCC(N)CN;TZMGTLGFOLKOPN-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169088;MM169088;C=CC#CCC(N)CF;SACUSVTVZHAOFV-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169089;MM169089;N=c1oc(CF)nn1O;YJCXYLYAKWKDEW-UHFFFAOYSA-N;133.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169090;MM169090;C=Cc1nn(O)c(=N)o1;FZAJXRWAOAQMDQ-UHFFFAOYSA-N;127.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169091;MM169091;CCC(O)CC#CC#N;IRPVLNOZJONOAS-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169092;MM169092;O=CC#CCC(O)CO;DAENFGCXDNCNID-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169093;MM169093;C=CC#CCC(O)CF;FAOVCNYOVZZZNR-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169094;MM169094;N#CC#CCC(O)CF;CUSSAGGUFQYZSG-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169095;MM169095;C=CC#CCC(F)CC;XOTBKCXCGLIITG-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169096;MM169096;CCC(F)CC#CC=O;WEWBODGWXRLWLV-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169097;MM169097;C=CC#CCC(F)CN;RVTHEOQCOPIMBD-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169098;MM169098;C=CC#CCC(F)CO;WVOLDLXKUKYYCP-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169099;MM169099;N#CC#CCC(F)CF;PXXLBXFPHRQENC-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169100;MM169100;C=CC#CCC(C)NC;YSVSHHNJFHVZME-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169101;MM169101;C=CC#CCC(C)OC;GAWPIILHZGUBEY-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169102;MM169102;COC(C)CC#CC=O;LXESLIBTIRBSTP-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169103;MM169103;COC(C)CC#CC#N;QSRFWSCLIHWNDX-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169104;MM169104;C=CC#CCN(C)CC;YLTYIFHMZQLOOJ-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169105;MM169105;C#CC#CCC(C)CC;XYPYPKOHBIKNDZ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169106;MM169106;C#CC#CCC(C)CN;SXSWKCAEKKBJNR-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169107;MM169107;CN=c1oc(C)nn1O;YDPASDSEJMFOKJ-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169108;MM169108;C#CC#CCC(C)CF;VQUVPGIRXVPDPX-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169109;MM169109;C#CC#CCC(N)CC;YNPVYQJFCUGBLA-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169110;MM169110;C#CC#CCC(N)CF;UICCKCAPBCNJPA-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169111;MM169111;CC#CC(O)C1CN1C;RBPVTXMHLOXATK-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169112;MM169112;C#CC#CCC(O)CF;FXTRTXDEFFNFRD-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169113;MM169113;C#CC#CCC(F)CC;JSYKTCRHKIXRSS-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169114;MM169114;C#CC#CCC(F)CN;ZFAMKMQMSUWOSQ-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169115;MM169115;C#CC#CCC(F)CO;NIRBUJDNLOMGBN-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169116;MM169116;C#CC#CCC(F)CF;JGEMNYIXPHKIEN-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169117;MM169117;C#CC#CCC(C)NC;ATXPADRLLCOPMZ-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169118;MM169118;C#CC#CCC(C)OC;RAUXBWVSHPERHG-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169119;MM169119;C=CC(C)CC#CCC;YYFJJWSTONRDNR-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169120;MM169120;C=CC(C)CC#CCN;BBUFKSZIXQDUMO-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169121;MM169121;C=CC(C)CC#CCO;XDIKAHMMORVPIF-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169122;MM169122;C=CC(C)CC#CCF;OKYDPGREUDZIBZ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169123;MM169123;CCC#CCC(C)C=O;BJIHEEQQTWOAFA-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169124;MM169124;CCC#CCC(C)C#N;LFXHRPVNRNXNIW-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169125;MM169125;CC(C=O)CC#CCO;VXEQXLBMAHGIRK-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169126;MM169126;CC(C=O)CC#CCF;JQXQHUDNGGSMHN-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169127;MM169127;CC(C#N)CC#CCF;HGPUNAYGKIHASW-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169128;MM169128;C=CC(N)CC#CCC;WOLMTIUDGZKIQD-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169129;MM169129;C=CC(N)CC#CCF;WBNATUHBZSLWHY-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169130;MM169130;C=CC(O)CC#CCC;QFVCPWRWPKBLNR-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169131;MM169131;C=CC(O)CC#CCF;XUCHVQSRTMKHRJ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169132;MM169132;CCC#CCC(O)C=O;NBHRSPHOBHACNS-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169133;MM169133;CCC#CCC(O)C#N;PJIOIOZJXWOYLH-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169134;MM169134;C=CC(F)CC#CCC;FPROHSPPQVBBGZ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169135;MM169135;C=CC(F)CC#CCN;SBVXJDXCDKKRMV-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169136;MM169136;C=CC(F)CC#CCO;HLHJCIZADLHVQZ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169137;MM169137;C=CC(F)CC#CCF;QYFKCOGNKLUWAH-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169138;MM169138;CCC#CCC(F)C=O;NLQYUCVQPDXTIZ-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169139;MM169139;CCC#CCC(F)C#N;AQQODIWHJAWDIE-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169140;MM169140;N#CC(F)CC#CCF;FRYKOZRLGORROR-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169141;MM169141;CCC#CCN(C)C=N;QMHQWBFTKIYBMO-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169142;MM169142;CCC#CCN(C)C=O;PQWVFUOOPKZZKU-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169143;MM169143;CN(C=O)CC#CCN;UWMLRLDOEPBWEP-UHFFFAOYSA-N;126.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169144;MM169144;N=CN(N)CC#CCO;VNOFOEJPINLLDC-UHFFFAOYSA-N;127.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169145;MM169145;N=CN(N)CC#CCF;NUKZWLXECWDVGG-UHFFFAOYSA-N;129.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169146;MM169146;CCC#CCN(N)C=O;BZNMGDBOVQZWIH-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169147;MM169147;C#CC(O)C1NC1C#C;FUGZQSRAEARSOJ-UHFFFAOYSA-N;121.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169148;MM169148;NN(C=O)CC#CCF;ALRLTWCEOLPBKJ-UHFFFAOYSA-N;130.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169149;MM169149;N=CN(O)CC#CCN;XFSCOCIBCZBEAR-UHFFFAOYSA-N;127.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169150;MM169150;C=NN(C)CC#CCC;YQBPGKLOTZSNAO-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169151;MM169151;C=NN(C)CC#CCN;OPCKWJVVCJXURC-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169152;MM169152;C=NN(C)CC(C)(O)C=O;SRMCLLBRWHOEMZ-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169153;MM169153;C=NN(C)CC#CCF;FVSTUFNEQFLHBY-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169154;MM169154;C=CC#CCC(C)C=C;IENZZXQRHIQLRP-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169155;MM169155;C=CC(C)CC#CC=O;ICNQSFIZYRKQMP-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169156;MM169156;C=CC(C)CC#CC#N;ISHYDTIIOYYHRZ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169157;MM169157;C=CC#CCC(C)C=O;VAFUPERKYZCDFM-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169158;MM169158;C=CC#CCC(C)C#N;XCSNBRGQLWLSSM-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169159;MM169159;CC(C=O)CC#CC=O;HPJRGDSCVDRRKE-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169160;MM169160;CC(C=O)CC#CC#N;RNZLWSBFZRQZJV-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169161;MM169161;CC(C#N)CC#CC=O;DZTFRRYLCUMNHC-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169162;MM169162;C=CC#CCC(N)C=C;BNEIWQVCABQGQD-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169163;MM169163;C=CC#CCC(O)C=C;TYSUUPUHDPQPTN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169164;MM169164;C=CC#CCC(F)C=C;XONZJULZYCMKCY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169165;MM169165;C=CC(F)CC#CC=O;HQZZLEYOMUDAMR-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169166;MM169166;C=CC(F)CC#CC#N;JOAVVKPSOAXDER-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169167;MM169167;C=CC#CCC(F)C=O;SNUXTWIOOJOXEC-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169168;MM169168;C=CC#CCC(F)C#N;NQAGWLGNFIIIGB-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169169;MM169169;O=CC#CCC(F)C=O;XTFUHXUSPNKMRT-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169170;MM169170;C=CC#CCN(C)N=C;ATYVCJQAOPHGOJ-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169171;MM169171;C#CC#CCC(C)C=C;GAFJBLDLIKQEEW-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169172;MM169172;C#CC#CCC(C)C=O;KGQHFGGLFQONRD-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169173;MM169173;C#CC#CCC(C)C#N;XDEOGLOBERIIAU-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169174;MM169174;C#CC#CCC(N)C=C;YCRLKYSXSSJZKO-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169175;MM169175;C#CC#CCC(O)C=C;QLIUPHITAQDKEC-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169176;MM169176;C#CC#CCC(O)C#N;ZMZZIXFBTVQAMZ-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169177;MM169177;C#CC#CCC(F)C=C;OOWQOECRMQXMOM-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169178;MM169178;C#CC#CCC(F)C=O;WIDUCVQQYGKBSA-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169179;MM169179;C#CC#CCC(F)C#N;ZFEXBKBDRXUWGU-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169180;MM169180;C#CC#CCN(C)N=C;YOIJUFRSCPHROG-UHFFFAOYSA-N;120.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169181;MM169181;C#CC(C)CC#CCC;LXQZJYUQOPFWHU-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169182;MM169182;C#CC(C)CC#CCN;QNDFMUZMCJYBFX-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169183;MM169183;C#CC(C)CC#CCO;FKZHNPPEECQEGH-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169184;MM169184;C#CC(C)CC#CCF;JELAZFXPVSSGMS-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169185;MM169185;C#CC(N)CC#CCC;VUAIRKMGGVQKGA-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169186;MM169186;C#CC(N)CC#CCF;LYFZIXRFBNCZPH-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169187;MM169187;C#CC(O)CC#CCC;HFPOVZCEOGPJGC-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169188;MM169188;C#CC(O)CC#CCF;GWLCRHGQPCPZPM-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169189;MM169189;C#CC(F)CC#CCC;SSOPJPUDTSROHV-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169190;MM169190;C#CC(F)CC#CCN;SXVMTFKTGDTQTL-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169191;MM169191;C#CC(F)CC#CCO;GUWZBGXFPHNFJA-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169192;MM169192;C#CC(F)CC#CCF;IRHZVWOZSGXGJE-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169193;MM169193;C#CC(C)CC#CC=C;AGTVTLBKRSWTAG-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169194;MM169194;C#CC(C)CC#CC=O;XYCNMXTVPOZQFF-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169195;MM169195;C#CC(C)CC#CC#N;CDARPXRUAAVNBK-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169196;MM169196;C#CC(N)CC#CC=C;SQYVDKRODUTORK-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169197;MM169197;C#CC(O)CC#CC=C;ZHCFPBHDNILZDG-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169198;MM169198;C#CC(O)CC#CC#N;RDNSXZCYGUDLCX-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169199;MM169199;C#CC(F)CC#CC=C;XYUCMWXUBTZAOS-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169200;MM169200;C#CC(F)CC#CC=O;ZUQVZQKKDIIPEE-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169201;MM169201;C#CC(F)CC#CC#N;PIDNGMKEWHEDQZ-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169202;MM169202;C#CC#CCC(C)C#C;MPGIJYMCBIRLCA-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169203;MM169203;C#CC#CCC(N)C#C;GMJXDWYRKAEXAR-UHFFFAOYSA-N;117.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169204;MM169204;C#CC#CCC(O)C#C;FFSYPRYQUCZUPQ-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169205;MM169205;C#CC#CCC(F)C#C;FKRSWUXIEUPRRA-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169206;MM169206;C=C(CC)CC#CCC;RDCABBDMHIMEGY-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169207;MM169207;C=C(CC)CC#CCN;DCFJBLDHTOVFKI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169208;MM169208;C=C(CC)CC#CCO;WLVXLNWKJFDUAK-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169209;MM169209;C=C(CC)CC#CCF;QSUDQLRQBXUGAD-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169210;MM169210;C=C(CN)CC#CCC;HVBRTNLSQPIMNJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169211;MM169211;C=C(CN)CC#CCN;YPOYJUVAAZGEHT-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169212;MM169212;C=C(CN)CC#CCF;CGSZASPCHGFRRK-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169213;MM169213;C=C(CO)CC#CCC;FEZYJWCZZKJRFA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169214;MM169214;C=C(CO)CC#CCO;MILMDXVGJIVWMX-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169215;MM169215;C=C(CO)CC#CCF;CRKYMWXRCIDGKA-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169216;MM169216;C=C(CF)CC#CCC;MNNSOMHAAQFCQZ-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169217;MM169217;C=C(CF)CC#CCN;YGJDQXCESXUZSJ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169218;MM169218;C=C(CF)CC#CCO;HSNQLZUPAFRCJJ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169219;MM169219;C=C(CF)CC#CCF;ZFOVUEBSMZPJCH-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169220;MM169220;CCC#CCC(=O)CC;PYYLFGXXQIFHJM-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169221;MM169221;CCC(=O)CC#CCO;FQMSYIXKGQESCV-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169222;MM169222;CCC(=O)CC#CCF;ZLQHOUMWFIPFAY-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169223;MM169223;CCC#CCC(=O)CO;BCBCKWWSPAWLFO-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169224;MM169224;O=C(CO)CC#CCO;HGNTVYWUFPCAIB-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169225;MM169225;CCC#CCC(=O)CF;HOPWOLFFXOLDTD-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169226;MM169226;O=C(CF)CC#CCF;HQPNRUALICLIKL-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169227;MM169227;CCC#CCC(=N)NC;CZBZZGLOTSEFQO-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169228;MM169228;CCC#CCC(=N)NN;SPMIHWXCGHBYJO-UHFFFAOYSA-N;125.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169229;MM169229;N=C(CC#CCO)NN;DVEUMVMSZQSSMQ-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169230;MM169230;N=C(CC#CCF)NN;RUBMDJXTIAKPCB-UHFFFAOYSA-N;129.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169231;MM169231;CCC#CCC(=O)NC;SXNMGOWGSXHQJM-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169232;MM169232;COC(C)(C)C(O)C=NN;CTVUOSMDXIOTBY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169233;MM169233;C=C(C)C(O)CC(=O)NN;RPQYRKSMSBEJCE-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169234;MM169234;C=C(CC#CCC)OC;SEWSRXDDCMTUGB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169235;MM169235;C=C(CC#CCN)OC;LMUNLAOEDPKRLZ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169236;MM169236;C=C(CC#CCO)OC;JQTAHLBSWMEVAJ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169237;MM169237;C=C(CC#CCF)OC;KEGIMIQMVZZHDY-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169238;MM169238;CCC#CCC(=O)OC;QQBWOPCZBBALNP-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169239;MM169239;COC(=O)CC#CCN;VYJVTIYVIIHPCE-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169240;MM169240;COC(=O)CC#CCO;WCXKJZNXEBHBJG-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169241;MM169241;COC(=O)CC#CCF;BBPIPFXRVSXGGH-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169242;MM169242;C=CC#CCC(=C)CC;DGHRPMGQTZMIJO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169243;MM169243;C=C(CC)CC#CC=O;LBDRJLRNEYLAOP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169244;MM169244;C=C(CC)CC#CC#N;DWHHEYBQRHUEAY-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169245;MM169245;C=CC#CCC(=C)CN;USKXUTKNCHQSFM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169246;MM169246;C=CC#CCC(=C)CO;VNRODKBAKWJGNC-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169247;MM169247;C=CC#CCC(=C)CF;HCLWYLHCOXFFAV-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169248;MM169248;C=C(CF)CC#CC=O;NUEGVAIURYRJIU-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169249;MM169249;C=C(CF)CC#CC#N;RMUFFTXYCFMXHZ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169250;MM169250;C=CC#CCC(=O)CC;HOCFIEGZUNIDQV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169251;MM169251;CCC(=O)CC#CC=O;FZJXIYYURWMEFT-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169252;MM169252;CCC(=O)CC#CC#N;ARFINYSEYKZJNK-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169253;MM169253;C=CC#CCC(=O)CF;KWJJORWXGFOXLI-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169254;MM169254;O=CC#CCC(=O)CF;QKRDMFROKUASHL-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169255;MM169255;C=CC#CCC(=N)NC;GKHCQOBBEOKOKP-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169256;MM169256;C=CC#CCC(=N)NN;VFNIHMIIIHQEKE-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169257;MM169257;NC(CC#CC=O)=NO;WTRPRWMQPASLHX-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169258;MM169258;CNC(=O)CC#CC=O;VHAPUPRCEXWCOQ-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169259;MM169259;O=CC#CCC(=O)NO;VPHNNSNDEBJDLN-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169260;MM169260;C=CC#CCC(=C)OC;BZISRJIJMYMEJV-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169261;MM169261;C=C(CC#CC=O)OC;YUMJMFREJGZRIY-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169262;MM169262;C=C(CC#CC#N)OC;BHSXMLININSJQP-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169263;MM169263;C=CC#CCC(=O)OC;VMQADNDMIQOIED-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169264;MM169264;COC(=O)CC#CC=O;FXBDHNIEXHAOAB-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169265;MM169265;C#CC#CCC(=C)CC;DDCJRWGALSJPOT-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169266;MM169266;C#CC#CCC(=C)CN;DJUVOJWIIMXURN-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169267;MM169267;C#CC#CCC(=C)CO;GDPKLJRFFWGMET-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169268;MM169268;C#CC#CCC(=C)CF;XWNIZKRFIWRLNY-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169269;MM169269;C#CC#CCC(=O)CC;DJJANKOJGLAKBJ-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169270;MM169270;C#CC#CCC(=O)CF;BFUDGRGAHJAVDB-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169271;MM169271;C#CC#CCC(=N)NC;RKVJAIQEWBMJGL-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169272;MM169272;C#CC#CCC(=N)NN;PAOFQWPBJVWIBB-UHFFFAOYSA-N;121.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169273;MM169273;C#CC#CCC(=C)OC;PYXMJEBJMJPUHI-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169274;MM169274;C#CC#CCC(=O)OC;COSRTZYKVGMSBM-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169275;MM169275;C=CC(=C)CC#CCC;HDAFLHMFQVVBQY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169276;MM169276;C=CC(=C)CC#CCN;HWOGZNSKRPFFAI-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169277;MM169277;C=CC(=C)CC#CCO;HZOOUOHBNKHXCW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169278;MM169278;C=CC(=C)CC#CCF;DUWJBDIXRAZFNM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169279;MM169279;C=C(C=O)CC#CCC;NTMUYIHSOBPSOB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169280;MM169280;C=C(C#N)CC#CCC;LHFBZQLYRSDXRT-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169281;MM169281;C=C(C#N)CC#CCO;AQQDNXBUUTZLOS-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169282;MM169282;C=C(C=O)CC#CCF;BFBAOFDQSALXMB-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169283;MM169283;C=C(C#N)CC#CCF;FABYPOIYYHDLRJ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169284;MM169284;C=CC(=O)CC#CCC;ZJEHRSRHYKXXTF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169285;MM169285;C=CC(=O)CC#CCF;IXFVWMKPBPTDGM-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169286;MM169286;CCC#CCC(=O)C=O;CXRJLDAQMLSCHP-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169287;MM169287;CCC#CCC(=O)C#N;JOXBFOLIJPTGES-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169288;MM169288;N#CC(=O)CC#CCF;ZGJYHOSJGFXDNB-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169289;MM169289;C=CC#CCC(=C)C=C;IFOKOJLNLWEPFZ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169290;MM169290;C=CC(=C)CC#CC=O;NPNCREZOFJQICE-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169291;MM169291;C=CC(=C)CC#CC#N;MLGPNKDBQATQPP-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169292;MM169292;C=CC#CCC(=C)C=O;VFKWBBQHDPRYJA-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169293;MM169293;C=CC#CCC(=C)C#N;QBYZSMUKIPJOLH-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169294;MM169294;C=C(C=O)CC#CC=O;UKAHGNFMPXUBTQ-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169295;MM169295;C=C(C=O)CC#CC#N;RLNCZTRPMRRRRQ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169296;MM169296;C=CC#CCC(=O)C=C;RCOPPUGUFAZKJV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169297;MM169297;C=CC(=O)CC#CC=O;YTJWHBKWWZXKEK-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169298;MM169298;C=CC(=O)CC#CC#N;QCLXVEHIQAHXCQ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169299;MM169299;C=CC#CCC(=O)C#N;WOLQPWDWRJNDCQ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169300;MM169300;O=CC#CCC(=O)C=O;MCCNFPLGINGGOH-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169301;MM169301;N#CC(=O)CC#CC=O;KZXXDXYXZSBOAE-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169302;MM169302;C#CC#CCC(=C)C=C;VBLWCZWHVPZDQK-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169303;MM169303;C#CC#CCC(=C)C=O;QFDWQWMXBJANGN-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169304;MM169304;C#CC#CCC(=C)C#N;BBJWZDNBIPLKKY-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169305;MM169305;C#CC#CCC(=O)C=C;GBGAJKQBUPBBJT-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169306;MM169306;C#CC(=C)CC#CCC;OWPMSUQTEUMPRC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169307;MM169307;C#CC(=C)CC#CCN;OHJJJJNQAASYHA-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169308;MM169308;C#CC(=C)CC#CCO;BLOJVWVSDPKWGM-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169309;MM169309;C#CC(=C)CC#CCF;XDBOXDBIMMXURX-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169310;MM169310;C#CC(=O)CC#CCC;ARABNNJVVFZYBE-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169311;MM169311;C#CC(=O)CC#CCF;UFQCWCQJJRUWDV-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169312;MM169312;C#CC(=C)CC#CC=C;GWJOEAGNMNJMGO-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169313;MM169313;C#CC(=C)CC#CC=O;NVSMLEIDDOWLTA-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169314;MM169314;C#CC(=C)CC#CC#N;GOUKQUYQILXRCK-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169315;MM169315;C#CC(=O)CC#CC=C;NNOYPGSPFGEGLI-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169316;MM169316;C#CC(=O)CC#CC=O;RAQHLIIGNHYELV-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169317;MM169317;C#CC#CCC(=C)C#C;UVHZWTZAUGMTAY-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169318;MM169318;C#CC#CCC(=O)C#C;YHYHSPMRBYOHGS-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169319;MM169319;CC=C(C)CC#CCC;VWVYJFLCBXNUEL-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169320;MM169320;CC=C(C)CC#CCN;OOLFXSOCJOPPEI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169321;MM169321;CC=C(C)CC#CCO;RBIUHPWHSYLEOX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169322;MM169322;CC=C(C)CC#CCF;RWVQCIBLQVGBJD-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169323;MM169323;CCC#CCC(C)=CF;SLVCTEJGUPTZIL-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169324;MM169324;CC(=CF)CC#CCN;XXUKYZVWRBLYLJ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169325;MM169325;CC(=CF)CC#CCO;PPWMRYJVUUYPPJ-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169326;MM169326;CC(=CF)CC#CCF;LZEUSHXPHFUEBW-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169327;MM169327;CC=C(F)CC#CCC;XPRGJWPBIDICNE-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169328;MM169328;CC=C(F)CC#CCN;AWCRTMZIZFEEGR-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169329;MM169329;CC=C(F)CC#CCO;QUGDYBYRWLWUQU-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169330;MM169330;CC=C(F)CC#CCF;JYONUHYSKLEZRZ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169331;MM169331;CCC#CCC(F)=CF;FWETXVDUKDSOKK-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169332;MM169332;NCC#CCC(F)=CF;JEURWNBMNHNVNR-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169333;MM169333;OCC#CCC(F)=CF;GVQBWOWNCCKFIC-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169334;MM169334;FC=C(F)CC#CCF;JXNLZOUOBFGLRU-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169335;MM169335;CCC#CCC(C)=NN;OKGGSAHXJOYLRN-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169336;MM169336;C=C(CC(=O)NN)C(C)O;ASCWLZLMKWYQNM-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169337;MM169337;CC(CC#CCF)=NN;GIZBVTSFTOYREN-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169338;MM169338;CCC#CCC(C)=NO;PKSNSVRCFUPPNS-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169339;MM169339;CC(CC#CCF)=NO;UIICTOUFTGEPND-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169340;MM169340;C=CC#CCC(C)=CC;VQYMDTZNBRIYCM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169341;MM169341;CC=C(C)CC#CC=O;IKZUVLVQJWRJOH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169342;MM169342;C=CC#CCC(C)=CF;PIFJTXOZGDIGAF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169343;MM169343;CC(=CF)CC#CC=O;LOYADXSZCLSXHG-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169344;MM169344;CC(=CF)CC#CC#N;NFOLIMXIMZSYQS-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169345;MM169345;C=CC#CCC(F)=CC;QETLGWNSRGMJKV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169346;MM169346;CC=C(F)CC#CC=O;NVFXAWNWKUJPBR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169347;MM169347;CC=C(F)CC#CC#N;NBLWDTMWQXKOAY-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169348;MM169348;C=CC#CCC(F)=CF;OZFKQXRVMBFONC-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169349;MM169349;O=CC#CCC(F)=CF;QPYGTQKQAHEEBG-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169350;MM169350;N#CC#CCC(F)=CF;NGVRVYMWFTVRPF-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169351;MM169351;C=CC#CCC(C)=NN;LNDMSWUWYHJRKG-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169352;MM169352;C=CC#CCC(C)=NO;GAKYRGVFHARGGF-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169353;MM169353;CC(CC#CC#N)=NO;PKHDQDQUVOFVSZ-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169354;MM169354;C#CC#CCC(C)=CC;SNTRWLJFTFLYOJ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169355;MM169355;C#CC#CCC(C)=CF;HUGWSLKZGANNDD-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169356;MM169356;C#CC#CCC(F)=CC;RGNCSQHLYPDIPB-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169357;MM169357;C#CC#CCC(F)=CF;NDHZPYVIGZEHET-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169358;MM169358;C#CC#CCC(C)=NN;RCMWITITPBWZFR-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169359;MM169359;C#CC#CCC(C)=NO;JLDKLFPLFFRHEK-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169360;MM169360;CCCC=CC(C)CC;SIXNCISBUIQQBJ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169361;MM169361;CCC(C)C=CCCN;KDARXHZGWUYANU-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169362;MM169362;CCC(C)C=CCCO;AYSGZNIUBHQDFI-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169363;MM169363;CCCC=CC(C)CN;KHELAOWLZJHSLX-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169364;MM169364;CC(C=CCCO)CN;OEWVPPZVSBFLKM-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169365;MM169365;CC(C=CCCF)CN;JRLRICCYSVYUDP-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169366;MM169366;C=C(NC(=O)NN)C(C)C;DJEIVBDTOMFWQS-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169367;MM169367;CC(=O)NNC1(C)CC1C;QHSAMIIKNJNGJT-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169368;MM169368;C=C(CCO)CC(=O)NN;TYKWJFWTPPKMAR-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169369;MM169369;CCCC=CC(C)CF;PQSSUFATKXFPLE-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169370;MM169370;CC(C=CCCN)CF;KWCCCTHJIBPKRU-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169371;MM169371;CC(C=CCCF)CF;GWZSLHIYNOJPFY-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169372;MM169372;CCCC=CC(N)CC;YYXZYZFKONLCNP-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169373;MM169373;CCC(N)C=CCCF;AXZCZYQABDUHML-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169374;MM169374;CCCC=CC(N)CN;UJBZGQLPCOSFDE-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169375;MM169375;NCCC=CC(N)CN;DEWCJRCOKQNSIT-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169376;MM169376;NCC(N)C=CCCO;DMXNMRZQSJYQNY-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169377;MM169377;NCC(N)C=CCCF;ADQBCFIKBSYHQH-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169378;MM169378;NCCC=CC(N)CO;DSJQFYFHAYBJAC-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169379;MM169379;NC(C=CCCO)CO;OAEYGICGTINMSY-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169380;MM169380;NC(C=CCCF)CO;DODLNKVDGWNMMC-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169381;MM169381;CCCC=CC(N)CF;ZQBPOXYTLOISKJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169382;MM169382;NC(C=CCCF)CF;DXCCKQGHDGJESN-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169383;MM169383;C=C(CCC)NC(=O)NN;OSXUZYOEWJPCGZ-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169384;MM169384;CCC(O)C=CCCN;JXYKZKWEHLDWRD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169385;MM169385;COC=C(C)CC(=O)NN;AEROGWSBUBRXNL-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169386;MM169386;COCC(N)=CC(=O)NN;LPZUGEZSVPRHDP-UHFFFAOYSA-N;145.16;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169387;MM169387;CCCC=CC(O)CN;IWBZSPCFSFRKHI-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169388;MM169388;NCCC=CC(O)CN;YKSNUPRVTAGEBN-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169389;MM169389;NCC(O)C=CCCO;VXGFJERTSAJZFK-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169390;MM169390;NCC(O)C=CCCF;KFYBGKFRMIRPCQ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169391;MM169391;CCCC=CC(O)CO;ODEOVZOBLABBOL-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169392;MM169392;NCCC=CC(O)CO;ZKEQVKGWMILKCU-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169393;MM169393;OCCC=CC(O)CO;XYIATLHHXQNGDQ-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169394;MM169394;CCCC=CC(O)CF;ASQXZKLELAABRF-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169395;MM169395;NCCC=CC(O)CF;BNAZIRHXFVWHOA-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169396;MM169396;OC(C=CCCF)CF;XWYXSXDSKYNKDM-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169397;MM169397;CCCC=CC(F)CC;ULRRSRQHEUJRFI-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169398;MM169398;CCC(F)C=CCCF;RJNYZFMQXPDASD-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169399;MM169399;CCCC=CC(F)CN;QONIHYVPRSPBQE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169400;MM169400;NCCC=CC(F)CN;OFEBAJKXAJUNOI-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169401;MM169401;NCC(F)C=CCCF;JKUSIKMMUCOWHT-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169402;MM169402;CCCC=CC(F)CO;WYBWUBBVOINGGL-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169403;MM169403;NCCC=CC(F)CO;QMMYGIUELGINBT-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169404;MM169404;OCCC=CC(F)CO;CVQHMUUFPYVGIZ-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169405;MM169405;OCC(F)C=CCCF;FUGOSXZFJNYJJI-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169406;MM169406;CCCC=CC(F)CF;TURAYYJJVOUUSP-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169407;MM169407;CCC(C)C=CCNC;SZCSOODWTZKBJD-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169408;MM169408;CNCC=CC(C)CF;KAWJAZOSOCDRFH-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169409;MM169409;CCC(N)C=CCNC;WJNFUBJKSRTMAL-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169410;MM169410;CNCC=CC(N)CN;UMOUQDWWCZCTOR-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169411;MM169411;CCC(O)C=CCNC;WQYSZXDEQIQTMT-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169412;MM169412;CNCC=CC(O)CN;CYIPILCBMAIUKN-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169413;MM169413;CNCC=CC(O)CO;IQPXLTFRMQKTOR-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169414;MM169414;CNCC=CC(F)CN;SQDRHXZTXDWORI-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169415;MM169415;CNCC=CC(F)CF;TZPXJSAGTQJUKM-UHFFFAOYSA-N;135.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169416;MM169416;CCC(C)C=CCOC;KXMUKQRXDRCFMS-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169417;MM169417;COCC=CC(C)CF;NCZLLIKUTHOZRY-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169418;MM169418;CCC(N)C=CCOC;FHNZXHNJCPDMDV-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169419;MM169419;COCC=CC(N)CN;KAEDEYRPMXBBRD-UHFFFAOYSA-N;130.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169420;MM169420;COCC=CC(O)CF;ACMZMRGLGRBKJL-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169421;MM169421;CCC(F)C=CCOC;SPKRGLYIHKEZMH-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169422;MM169422;COCC=CC(F)CN;GVNZBXNCEGGHRX-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169423;MM169423;CCCC=CC(C)NC;HTYGHESSQSKROI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169424;MM169424;CNC(C)C=CCCN;ZRJHCKOTJGNXSX-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169425;MM169425;CNC(C)C=CCCF;AACRHTXNWVAEAT-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169426;MM169426;CNC(C)C=CCOC;BBKJVIFPJUHDJU-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169427;MM169427;CCCC=CC(C)OC;OOPZNSAXJNXUPB-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169428;MM169428;COC(C)C=CCCN;PXQYLWIBNNNKOA-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169429;MM169429;COC(C)C=CCCO;NWIRKQFXTJNVCN-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169430;MM169430;COC(C)C=CCCF;FVEHDXLSQBFITE-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169431;MM169431;CNCC=CC(C)OC;XHJPYEDJPNCDDY-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169432;MM169432;COCC=CC(C)OC;JFUXVMOSMBGSQO-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169433;MM169433;CCOC=CC(C)CC;APWHSBKFZKQKEP-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169434;MM169434;CCOC=CC(C)CN;GNISDPFTLSTDMH-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169435;MM169435;CCOC=CC(C)CO;SOCQSTKVLBMIKW-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169436;MM169436;CCOC=CC(N)CC;DYPAYQRMYJBQGJ-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169437;MM169437;CCOC=CC(N)CN;NXGIVJODGCLRAX-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169438;MM169438;CCOC=CC(N)CO;FCGTYKGDULLJHQ-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169439;MM169439;CCOC=CC(N)CF;KYILRSGABHEQDQ-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169440;MM169440;CCOC=CC(O)CC;HYQSXRQFUALRLL-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169441;MM169441;CCOC=CC(O)CN;DDXFMXDIJOQSCD-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169442;MM169442;CCOC=CC(O)CO;XUMPBELSAMDLJG-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169443;MM169443;CCOC=CC(F)CC;CWNOMEBRMPLWCR-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169444;MM169444;CCOC=CC(F)CN;VFKWFDVPDDUTQJ-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169445;MM169445;CCOC=CC(F)CO;JIJPCIIXEKBCAI-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169446;MM169446;CCOC=CC(F)CF;ISXVOJMUIRYQHA-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169447;MM169447;CCOC=CC(C)NC;UTCLVUCRQCLTFJ-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169448;MM169448;CCOC=CC(C)OC;FQSHEZASFZRKLB-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169449;MM169449;CCNN=CC(C)CC;WCRCHZXUBLDDDB-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169450;MM169450;CCNN=CC(N)CN;WXCKSHBWRYPWKD-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169451;MM169451;CCNN=CC(O)CN;FGZXEWGBPGALOW-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169452;MM169452;CC=NN1CC(O)(CF)C1;BTSBFAUHYRQNSM-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169453;MM169453;C=C(CNNC=O)COC;GQWFTMOQUNMUSY-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169454;MM169454;CCON=CC(C)CC;WESHONOLEWERCR-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169455;MM169455;CC=CC(O)CNNC=O;HSFKANCMQBKZQL-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169456;MM169456;CCON=CC(C)CF;PVPMBNBPKLWYBE-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169457;MM169457;CCON=CC(N)CC;OSLXPRNCDJZVAM-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169458;MM169458;CCON=CC(N)CN;QXCPGBFWGZCEEX-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169459;MM169459;CCON=CC(F)CC;UAHGGPUTHGUVPF-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169460;MM169460;C#CCc1nn(O)c(=N)o1;LGEYSVMINOSBGK-UHFFFAOYSA-N;139.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169461;MM169461;CCON=CC(C)NC;ARMLSQBXGBNPIO-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169462;MM169462;CCON=CC(C)OC;PZVXZVRJEWDEJV-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169463;MM169463;CCCN=CN(C)CC;WGEIDOHGIBSPIQ-UHFFFAOYSA-N;128.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169464;MM169464;CCN(C)C=NCCN;RHAJWPXSVSVPGH-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169465;MM169465;CCN(C)C=NCCF;ICGNQXADRHXNAX-UHFFFAOYSA-N;132.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169466;MM169466;CCCN=CN(C)NC;VRWRODTXTRHPCL-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169467;MM169467;CNN(C)C=NCCN;QXQUUCASGHYGLP-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169468;MM169468;CNN(C)C=NCCO;HACZKIOXUGBQHU-UHFFFAOYSA-N;131.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169469;MM169469;CNN(C)C=NCCF;QHDLRKHNUZAVRE-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169470;MM169470;CCNN=CN(C)CC;IXPFDGFQFVQPRF-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169471;MM169471;CC=Cc1nn(O)c(=N)o1;JWRHTVNHSKYHAK-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169472;MM169472;CCCC=NN(C)CC;WUKRICXRYODGQT-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169473;MM169473;CCN(C)N=CCCF;VICVYLWCESYGSV-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169474;MM169474;C=CCC=CC(C)CC;JZBXUKVCIKOZBT-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169475;MM169475;CCC(C)C=CCC=O;NPDBIZUQLYRMNY-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169476;MM169476;CCC(C)C=CCC#N;YVIAYGQDPYZWDA-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169477;MM169477;C=CCC=CC(C)CN;VQRPNTCCKUZBKS-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169478;MM169478;C=C(C)c1nn(O)c(=N)o1;KLIKZMFGNSMLJF-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169479;MM169479;CC(C=CCC#N)CF;DFPNELGUAKBXCF-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169480;MM169480;C=CCC=CC(N)CC;UPHDCVJFUDRHAA-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169481;MM169481;C=CCC=CC(N)CF;VBLHPVROQNROGR-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169482;MM169482;CC(=NOC(=O)CO)NO;JMMQJBIQUGZTMR-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169483;MM169483;CCC1(NNC(C)=O)CC1;GYLAVFGSBIEWAO-UHFFFAOYSA-N;142.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169484;MM169484;C=CCC=CC(O)CN;OLDYTJLIOALHGS-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169485;MM169485;C=CCC=CC(O)CO;DXQCDQVRLVNLJU-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169486;MM169486;N#CCC=CC(O)CO;ZABWSHZKYYGVBY-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169487;MM169487;C=CCC=CC(O)CF;RXTYIKXEYQYGHJ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169488;MM169488;N#CCC=CC(O)CF;PZQZEJMFTZXELZ-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169489;MM169489;C=CCC=CC(F)CC;NBNGUXTZGVPJGY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169490;MM169490;CCC(F)C=CCC#N;CLYYKCMZZKFDDS-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169491;MM169491;C=CCC=CC(F)CO;RXGVWHAEMUAZBA-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169492;MM169492;C=CCC=CC(F)CF;JEUUGTQEVZMROT-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169493;MM169493;N#CCC=CC(F)CF;CVMOBGNEQOWRJW-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169494;MM169494;C=CCC=CC(C)NC;VPMXYAOUYSAYIM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169495;MM169495;CNC(C)C=CCC=O;IJTGEMWPOQXHCR-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169496;MM169496;C=CCC=CC(C)OC;YMLXZFDOHNBROS-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169497;MM169497;COC(C)C=CCC=O;CHJNYLWKPANOLL-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169498;MM169498;COC(C)C=CCC#N;YLIDSNBPVCCEJR-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169499;MM169499;CCC(C)C=CNC=N;TWNWEPDUQXSZLW-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169500;MM169500;CCC(C)C=CNC=O;SSQXHYUNOJUONZ-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169501;MM169501;CC(C=CNC=O)CN;QSKHQTBHUJVXOJ-UHFFFAOYSA-N;128.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169502;MM169502;CC(C=CNC=N)CO;QIJQWBOIQXRDTM-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169503;MM169503;CC(C=CNC=O)CO;YOWVIJCLMOJDCH-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169504;MM169504;CCC(N)C=CNC=N;BKFZVPHSKXHHRE-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169505;MM169505;N=CNC=CC(N)CN;JSOBBVMTBOOREO-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169506;MM169506;NCC(N)C=CNC=O;GPWRUDKNVGOBKT-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169507;MM169507;N=CNC=CC(N)CO;FBWWRJRKBXEPQC-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169508;MM169508;NC(C=CNC=O)CO;WOMPXTQNVQJNIZ-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169509;MM169509;CCC(O)C=CNC=N;PWZLIUWGTVCIPW-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169510;MM169510;N=CNC=CC(O)CN;MCFMNXDDGNTCJT-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169511;MM169511;NCC(O)C=CNC=O;VZQZFNMCJZVHFE-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169512;MM169512;CCC(F)C=CNC=N;UEAPYXKXTXIHKV-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169513;MM169513;CCC(F)C=CNC=O;CPGXXTXTIVKZMJ-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169514;MM169514;N=CNC=CC(F)CN;CMYHUZYFYBBHHQ-UHFFFAOYSA-N;131.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169515;MM169515;NCC(F)C=CNC=O;NCRUSUWPYVTRRK-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169516;MM169516;N=CNC=CC(F)CO;MFHOFLXQPBESEG-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169517;MM169517;O=CNC=CC(F)CO;BBGCENHUWHHEGC-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169518;MM169518;O=CNC=CC(F)CF;PPUSVRFVFCLFOJ-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169519;MM169519;CNC(C)C=CNC=N;JDHSXKAOGJLDQA-UHFFFAOYSA-N;127.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169520;MM169520;CNC(C)C=CNC=O;GBOGFJXVLAZUFD-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169521;MM169521;C=COC=CC(C)CC;VJOHRMPAQAPNKQ-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169522;MM169522;CCC(C)C=COC=O;SQTVQXBABONHRE-UHFFFAOYSA-N;128.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169523;MM169523;C=COC=CC(C)CN;OIFFWOHJUYMBRZ-UHFFFAOYSA-N;127.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169524;MM169524;C=COC=CC(C)CO;JQSFAKYFWIBJGH-UHFFFAOYSA-N;128.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169525;MM169525;CC(C=COC=O)CO;ZSABVWMPPYXKNN-UHFFFAOYSA-N;130.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169526;MM169526;C=COC=CC(C)CF;BZQKAKKNGMWXTL-UHFFFAOYSA-N;130.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169527;MM169527;C=COC=CC(N)CC;VBPNICAOMBKCMF-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169528;MM169528;C=COC=CC(N)CN;JLOMAFOJSFGFTG-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169529;MM169529;NCC(N)C=COC=O;XBEYCYRCHQQDBA-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169530;MM169530;C=COC=CC(N)CO;MFBMZPFDLZERLF-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169531;MM169531;NC(C=COC=O)CO;UROIJEGJJPUFJE-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169532;MM169532;C=COC=CC(N)CF;GZSIPQIMVIWOQR-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169533;MM169533;NC(C=COC=O)CF;DQMOTHLQHJGBKN-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169534;MM169534;C=COC=CC(O)CC;JPKRNFBNGTZYNG-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169535;MM169535;CCC(O)C=COC=O;HSQMKXPUPDQEAT-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169536;MM169536;C=COC=CC(O)CN;ZADXTRNZUKYOBU-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169537;MM169537;NCC(O)C=COC=O;ZGINKNGEFRZOCM-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169538;MM169538;C=COC=CC(O)CF;IEPKRFMHYTXXHI-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169539;MM169539;C=COC=CC(F)CC;RZMJBSPCWHDHOY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169540;MM169540;CCC(F)C=COC=O;ACSSTXXBDLLBPW-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169541;MM169541;C=COC=CC(F)CN;WGAMJONDFRVZDK-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169542;MM169542;NCC(F)C=COC=O;BPRVDQDYZQGRBG-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169543;MM169543;C=COC=CC(F)CO;OYJRJCIVGZAPIK-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169544;MM169544;C=COC=CC(F)CF;YETXKGUYZJYIEE-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169545;MM169545;C=COC=CC(C)NC;KSUDSHWUGYNDPK-UHFFFAOYSA-N;127.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169546;MM169546;C=COC=CC(C)OC;DMMKABACPMSSJG-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169547;MM169547;COC(C)C=COC=O;CPYBQRKRKIRTQE-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169548;MM169548;CC(CC=NN)NNC=O;RCSUXLZHSTWCGE-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169549;MM169549;CC(C=NNC=O)CO;ARRWEIXZPZIYLX-UHFFFAOYSA-N;130.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169550;MM169550;CCC(N)C=NNC=O;SEHPJEAUNCASKO-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169551;MM169551;NCC(N)C=NNC=O;JASQWRGZQDZHPB-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169552;MM169552;CCC(O)C=NNC=O;SHHVDCRXRAUBLN-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169553;MM169553;N=CNN=CC(O)CN;FBHGYWXWGXVIPB-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169554;MM169554;NCC(O)C=NNC=O;ZWXQLNDVHJOCMN-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169555;MM169555;CCC(C)C=NOC=O;JIYLKDQBRTUEFP-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169556;MM169556;NCC(N)C=NOC=O;NFQKTSUSTYKVRK-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169557;MM169557;NC(C=NOC=O)CO;CIOVAQBKBJWYET-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169558;MM169558;NCC(O)C=NOC=O;FDSNTNDWPLPNJV-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169559;MM169559;CNC(C)C=NOC=O;GSLQRGUMVCEMCN-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169560;MM169560;C=CNC=NC(C)CC;GJOYPQJYFRUWHL-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169561;MM169561;C=CNC=NC(C)CO;RLAQCCQRDZNIPT-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169562;MM169562;C=CCN=CN(C)CC;MTKOKWRCULNQFN-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169563;MM169563;CC#CCC(C)NNC=O;XRUYPSZONAWMBF-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169564;MM169564;C=C(CC#CC)C(=O)NN;UTXWILDIJLTTEI-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169565;MM169565;CON(C)C=NNC=O;LUGCONBDVNAXQU-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169566;MM169566;CNN=CNNC(=O)NC;KSCZTTGQQLKNCF-UHFFFAOYSA-N;145.17;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169567;MM169567;CON(C)C=NOC=O;RGYRTMNDYNTTHS-UHFFFAOYSA-N;132.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169568;MM169568;C=CCC=NN(C)CC;ZSFOVVLAIGOUBN-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169569;MM169569;C#CCC=CC(C)CC;YBUQQIOZNAMHJB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169570;MM169570;C#CCC=CC(C)CN;WGIOCIQSYOFDBK-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169571;MM169571;COC(C)=CCNNC=O;NDEAIZNXKAMBGJ-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169572;MM169572;C#CCC=CC(C)CF;MQTOTHOBIWOEAN-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169573;MM169573;C#CCC=CC(N)CC;SWIMZMZVXSLAOH-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169574;MM169574;C#CCC=CC(N)CN;GIYGOALQENFCTJ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169575;MM169575;C#CCC=CC(N)CF;HATSEACSRFDHSM-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169576;MM169576;CN=c1on(O)c(=N)n1O;LWONBHBPIRGOMA-UHFFFAOYSA-N;146.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169577;MM169577;C#CCC=CC(O)CF;USXUGMISNWQUJH-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169578;MM169578;C#CCC=CC(F)CC;XDHBXLVQCVXQSF-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169579;MM169579;C#CCC=CC(F)CN;AJABKJSLLVELBF-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169580;MM169580;C#CCC=CC(F)CO;XOCWBMAJGPAYCE-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169581;MM169581;C#CCC=CC(C)NC;CGQNZHYSUCROLO-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169582;MM169582;C#CCC=CC(C)OC;UDWBXNPUHFAEOB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169583;MM169583;C#CCN=CN(C)OC;ZLNJTXQSVZZTFO-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169584;MM169584;C#CCC=NN(C)CC;GJDAGLUQYNZOKQ-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169585;MM169585;C=CC(C)C=CCCC;GBGBHBSIUKZIDJ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169586;MM169586;C=CC(C)C=CCCN;WOMSXRZTDUPVKY-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169587;MM169587;C=CC(C)C=CCCO;RSEBROORGZOYAT-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169588;MM169588;C=CC(C)C=CCCF;VPNBELNJXCSSAJ-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169589;MM169589;CCCC=CC(C)C=O;XJFZYZSTANCBOU-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169590;MM169590;CCCC=CC(C)C#N;UUAHTOVWZRZOBF-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169591;MM169591;CC(C#N)C=CCCO;NJQPJNGMWYALBL-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169592;MM169592;CC(C=O)C=CCCF;FBRZUIPKRSOHHI-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169593;MM169593;CC(C#N)C=CCCF;ORZLBJKDIIMKKU-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169594;MM169594;C=CC(N)C=CCCC;FMGJINXGQSQHDC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169595;MM169595;C=CC(N)C=CCCF;SEMLJYMKDDXEBC-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169596;MM169596;C=CC(O)C=CCCC;JKMHYJRORPXHGQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169597;MM169597;C=CC(O)C=CCCF;YPSBLEUXDKMZRF-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169598;MM169598;CCCC=CC(O)C#N;SWBORZICEYIYCG-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169599;MM169599;O=CC(O)C=CCCO;TWTIXVWEBPXXGJ-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169600;MM169600;N#CC(O)C=CCCO;IGFHHXSVPRBLMY-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169601;MM169601;C=CC(F)C=CCCC;FKUKBTYSENFVPY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169602;MM169602;C=CC(F)C=CCCN;WEUSYESXNNPLPX-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169603;MM169603;C=CC(F)C=CCCO;RHBJFFRPPROOCZ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169604;MM169604;C=CC(F)C=CCCF;IXWIYMSVUQPGOL-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169605;MM169605;CCCC=CC(F)C=O;BAPZWNUOFZFNJY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169606;MM169606;CCCC=CC(F)C#N;CVEOWCGNQBEKPD-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169607;MM169607;O=CC(F)C=CCCF;IQWAEESRBDDUQP-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169608;MM169608;CNCC=CC(C)C#N;LRZDBPULLNXERW-UHFFFAOYSA-N;124.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169609;MM169609;CNCC=CC(O)C=O;DAFNSNJYDIOELN-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169610;MM169610;C=CC(F)C=CCNC;JFDVFODIWGKDJP-UHFFFAOYSA-N;129.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169611;MM169611;C=CC(C)C=CCOC;SBHHNJUDJFIJFY-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169612;MM169612;COCC=CC(C)C=O;HEUOLMFGYMRSPR-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169613;MM169613;COCC=CC(C)C#N;QHOBYVKBBRVOSZ-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169614;MM169614;C=CC(N)C=CCOC;CLWKLIHHMBUABT-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169615;MM169615;C=CC(F)C=CCOC;NBNLCHRAKWMBLY-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169616;MM169616;C=CC(C)C=COCC;KNHXSOBGOWIAPI-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169617;MM169617;CCOC=CC(C)C=O;OKZUORQAVNTKAV-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169618;MM169618;CCOC=CC(C)C#N;VWEVMIAFRJGEGX-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169619;MM169619;C=CC(N)C=COCC;APKNQNKAJIWYRG-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169620;MM169620;C=CC(O)C=COCC;LWILRPPWIQPGSE-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169621;MM169621;C=CC(F)C=COCC;HUKFPSPPWGDWTG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169622;MM169622;CCOC=CC(F)C#N;DRHQRXFWSJHXHC-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169623;MM169623;NN=c1cc(F)n(O)n1O;XUHMPPHGQVLHAX-UHFFFAOYSA-N;148.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169624;MM169624;COc1oc(=N)n(O)c1F;LFQUEBXLHGVSJD-UHFFFAOYSA-N;148.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169625;MM169625;CC=C(CO)CNNC=O;BTLDEVNXVQZLPV-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169626;MM169626;C=CC(C)C=NOCC;GXMFXVORNBRVQB-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169627;MM169627;C=CC(N)C=NOCC;KPGODGJUSXIZLE-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169628;MM169628;CCC(=NN)C(O)C=NN;RSBHTYARUSVGOK-UHFFFAOYSA-N;144.18;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169629;MM169629;CCCC=CN(C)C=N;FXCKEFRZCDQIKC-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169630;MM169630;CN(C=N)C=CCCO;JPCOOUJHADZUDV-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169631;MM169631;CN(C=O)C=CCCO;KROQANXFJYFLCB-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169632;MM169632;CCCC=CN(N)C=N;KLAFLKBWCJYHCK-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169633;MM169633;N=CN(N)C=CCCO;PDZDDEORMJQSLD-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169634;MM169634;CCCC=CN(N)C=O;OJUMCHMKOKWWAF-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169635;MM169635;CCC1(C(=O)NNC)CC1;SATZKTAZGAEFJZ-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169636;MM169636;NN(C=O)C=CCCF;ZJKCRUUCBQYFPF-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169637;MM169637;CCCC=CN(O)C=N;XQPDXXQFGIREEN-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169638;MM169638;N=CN(O)C=CCCN;CIIVHQQXHAHUTP-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169639;MM169639;N=CN(O)C=CCCO;NRTIUDSIRBURCE-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169640;MM169640;CCCC=CN(O)C=O;FVLFQGJJWLBMPY-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169641;MM169641;CNCC=CN(C)C=N;SJZBTBRPUFGAQD-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169642;MM169642;CNCC=CN(C)C=O;PZDUTKIBWLBVSH-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169643;MM169643;CNCC=CN(N)C=N;CPVMINXUCUZMHN-UHFFFAOYSA-N;128.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169644;MM169644;CNCC=CN(O)C=N;ZJYBAHXRFDDUDO-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169645;MM169645;CNCC=CN(O)C=O;VKPMZFFDOVDJFB-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169646;MM169646;COCC=CN(C)C=O;PAJADDYBQRJZMG-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169647;MM169647;COCC=CN(O)C=N;DNCFBPYTRSLDTQ-UHFFFAOYSA-N;130.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169648;MM169648;CCOC=CN(N)C=N;DCLJKWSAWGUDAZ-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169649;MM169649;C=CN(C)C=NCCC;OPUPCMRIFVNABV-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169650;MM169650;C=CN(C)C=NCCF;OJUCFEJACGTPEP-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169651;MM169651;CCCN=CN(C)C=N;MGNJZXLZZOUONM-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169652;MM169652;CN(C=N)C=NCCO;IOQSPQKPERRDAC-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169653;MM169653;CC=CC1=CC(=NN)CO1;RTCLABKAMMDRDU-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169654;MM169654;NN(C=O)C=NCCF;MMMDZLYPPRVKHM-UHFFFAOYSA-N;133.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169655;MM169655;C=NN(C)C=NCCC;MTZQAOXSMCNWDE-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169656;MM169656;CCc1nn(O)c(=NC)o1;HVWFHANWKZUYPH-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169657;MM169657;CN=c1oc(CN)nn1O;JMTGMYZWGSLGAO-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169658;MM169658;C=CN(C)C=NOCC;BIRGKLMNKWVTEI-UHFFFAOYSA-N;128.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169659;MM169659;CCON=CN(C)C=O;AVLRTFIJQGCLNW-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169660;MM169660;CCCC=NN(C)C=N;CAPPWRYAFFMXHL-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169661;MM169661;CN(C=N)N=CCCN;CMXAVSQWBFFWQG-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169662;MM169662;CN=c1oc(CF)nn1O;RYKDKKQGGVGGIW-UHFFFAOYSA-N;147.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169663;MM169663;CN(C=O)N=CCCN;FZCJRFUOXYOTMG-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169664;MM169664;C=Cc1nn(O)c(=NC)o1;UNMCGUBYUOEPDD-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169665;MM169665;CNCC=NN(C)C=O;IICGWUNWWRJIOT-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169666;MM169666;COCC=NN(C)C=N;BCBNKJIROPOGJO-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169667;MM169667;COCC=NN(C)C=O;SXSWWMIKDNVLKP-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169668;MM169668;CCOC=NN(C)C=O;QITBTLMVEQHRGU-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169669;MM169669;C=CCC=CC(C)C=C;VEJNHWHGHIHGCH-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169670;MM169670;C=CC(C)C=CCC=O;NHQHEZZIAWFFMQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169671;MM169671;C=CC(C)C=CCC#N;GTMLLZSGDUHEQY-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169672;MM169672;C=CCC=CC(C)C=O;ZQLFENJQUZEDRP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169673;MM169673;C=CCC=CC(C)C#N;CBIJDEYUQBCSCV-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169674;MM169674;CC(C=O)C=CCC=O;KBFMWCIVOWLEOH-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169675;MM169675;CC(C=O)C=CCC#N;DBLKQOXNXDTNDX-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169676;MM169676;CC(C#N)C=CCC#N;KPWMOFPFLUNWRY-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169677;MM169677;C=CCC=CC(N)C=C;LBNULTKAGFDFJK-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169678;MM169678;C=CCC=CC(O)C=C;HXUHWSDWAJWCKZ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169679;MM169679;C=CCC=CC(O)C#N;YEZKRZFOPKNDQA-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169680;MM169680;C=CCC=CC(F)C=C;SMMAISWJHVEHCP-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169681;MM169681;C=CC(F)C=CCC=O;UUFSAHQWVNPFJT-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169682;MM169682;C=CC(F)C=CCC#N;OZPDHHXADOFNDA-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169683;MM169683;C=CCC=CC(F)C=O;IFYMZTAARRFBAE-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169684;MM169684;C=CCC=CC(F)C#N;CJDGHSIADNYPNP-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169685;MM169685;N#CC(F)C=CCC=O;IIPNTPRWKPDHIC-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169686;MM169686;C=CC(C)C=CNC=N;IXPQDSGWKVGDFA-UHFFFAOYSA-N;124.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169687;MM169687;C=CC(C)C=CNC=O;UCBBKACUXKAMSP-UHFFFAOYSA-N;125.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169688;MM169688;CC(C=O)C=CNC=O;CVQUKQITPNQWFV-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169689;MM169689;C=CC(N)C=CNC=N;MSFHETYJRXZTFQ-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169690;MM169690;C=CC(N)C=CNC=O;XLTHJRXZBCNULB-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169691;MM169691;C=CC(O)C=CNC=N;ZPMJUIHUYPKUTJ-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169692;MM169692;N#CC(O)C=CNC=N;MYVCGHSOKUFWAW-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169693;MM169693;C=CC(F)C=CNC=N;UWDUQOOWQURZFZ-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169694;MM169694;C=CC(F)C=CNC=O;VQNPKFFQHBGBSZ-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169695;MM169695;N#CC(F)C=CNC=N;QMCMHQSIAAZDOA-UHFFFAOYSA-N;127.12;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169696;MM169696;C=COC=CC(C)C=C;SOVNRYHRORCXBN-UHFFFAOYSA-N;124.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169697;MM169697;C=CC(C)C=COC=O;GILWBTFKFUPVFP-UHFFFAOYSA-N;126.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169698;MM169698;C=COC=CC(C)C=O;YVWGDELMJUCNDF-UHFFFAOYSA-N;126.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169699;MM169699;C=COC=CC(C)C#N;MQWMPDLVFBSMAG-UHFFFAOYSA-N;123.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169700;MM169700;CC(C#N)C=COC=O;FVPGESPUDLLMHA-UHFFFAOYSA-N;125.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169701;MM169701;C=COC=CC(N)C=C;VLSPMFLBYFXRPC-UHFFFAOYSA-N;125.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169702;MM169702;C=COC=CC(O)C=C;AWLMKISJIDDIHY-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169703;MM169703;C=COC=CC(F)C=C;JTXYKHXQZLPSCU-UHFFFAOYSA-N;128.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169704;MM169704;C=CC(F)C=COC=O;NRKVJGJQTWIMIV-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169705;MM169705;C=COC=CC(F)C=O;MIHHLDHKUQHTQS-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169706;MM169706;C=COC=CC(F)C#N;CHFFFRXDZQAOQL-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169707;MM169707;C=CC(C)C=NOC=O;UXMBJICHJBDVCJ-UHFFFAOYSA-N;127.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169708;MM169708;O=CON=CC(O)C=O;ABTCRUQQLKHVOM-UHFFFAOYSA-N;131.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169709;MM169709;C=CC(F)C=NOC=O;WIPVDZRNEVVPDN-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169710;MM169710;C=CNC=NC(C)C=C;ASTDZAICYAAUSE-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169711;MM169711;C=CNC=NC(C)C=O;MWIKRZHURLOFKW-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169712;MM169712;C=CCC=CN(C)C=O;NRARUKFOGWCWBX-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169713;MM169713;CN(C=O)C=CCC=O;NDJVLDVDYQXSCB-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169714;MM169714;C=CCC=CN(N)C=N;KDFNSEBWTNYBSX-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169715;MM169715;C=CCC=CN(O)C=N;VVMZKRZQQCTBTL-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169716;MM169716;C=CCC=CN(O)C=O;ZGDDTOAADASCEV-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169717;MM169717;CN(C=N)C=CNC=O;OMYDOTNRSUQATK-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169718;MM169718;N=CNC=CN(N)C=N;RSZDQXVTVNNMRI-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169719;MM169719;N=CNC=CN(N)C=O;NGEUHKVCJVBWCC-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169720;MM169720;C=Cc1nc(=NN)n(O)o1;CLFLUGFHHIFBMP-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169721;MM169721;O=CNC=CN(O)C=O;AHOUVYLWMJFZGF-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169722;MM169722;C=CCN=CN(C)C=C;KHAFDUDDWNBWON-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169723;MM169723;CN(C=N)C=NCC=O;NZRPROXYPCAAJQ-UHFFFAOYSA-N;127.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169724;MM169724;C=CCN=CN(C)C=O;PWLNSNNZQXIQIA-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169725;MM169725;C#CC(O)C1NC1C#CC;UBVJUEYYEXCLEU-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169726;MM169726;C=CCN=CN(N)C=C;LDINFDWMHYTKGI-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169727;MM169727;C=CCN=CN(C)N=C;DEEXAIYUUJCPSA-UHFFFAOYSA-N;125.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169728;MM169728;O=CNNCC=CCCO;VUXGYFWHZYMMTR-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169729;MM169729;C=CN(C)C=NOC=O;URSJFMFIUAXMMA-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169730;MM169730;N=c1ocnn1O;JQGTZOLABFFBFG-UHFFFAOYSA-N;101.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169731;MM169731;C=CCC=NN(C)C=O;LOWNKDAVRKZDLP-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169732;MM169732;C=CN=CNN(C)C=N;CXFAKGPHHJSWDV-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169733;MM169733;C#CCC=CC(C)C=C;TWMROIAPMGANFI-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169734;MM169734;C#CCC=CC(C)C=O;LTLMURPNBPPGJA-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169735;MM169735;C#CCC=CC(C)C#N;JQLMGFMPLNZUJO-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169736;MM169736;C#CCC=CC(N)C=C;YACCVELPCSXSJX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169737;MM169737;C#CCC=CC(O)C=C;YOVYMHABMAAPBC-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169738;MM169738;C#CCC=CC(F)C=C;SDKCEPQOKIKNAL-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169739;MM169739;C#CCC=CC(F)C=O;CYWHJDWIBPCTJI-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169740;MM169740;C#CCC=CC(F)C#N;KCDOGZKSPHPPSX-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169741;MM169741;C#CCC=CN(C)C=N;FBTNMCXFTJQQPF-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169742;MM169742;C#CCC=CN(C)C=O;QDDVUFJITRTDBA-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169743;MM169743;C#CCC=CN(O)C=O;LVSMCYVVEHHBAO-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169744;MM169744;C#CCN=CN(C)C=C;GAJRQPBYXPLVIR-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169745;MM169745;C#CCN=CN(N)C=O;MZPRAJXPVXCJJS-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169746;MM169746;C#CC(C)C=CCCC;XWNNRJZPBFATID-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169747;MM169747;C#CC(C)C=CCCN;ZOZZAAVPFIXKQD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169748;MM169748;C#CC(C)C=CCCO;RLFZJMNATFWCGV-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169749;MM169749;C#CC(C)C=CCCF;UPNNZCHGUXOBMA-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169750;MM169750;C#CC(N)C=CCCC;KSXWQKXRDMIQTQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169751;MM169751;C#CC(N)C=CCCN;LMBOZIZPLXZGIK-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169752;MM169752;C#CC(N)C=CCCO;DRFCPSXFSPCLBP-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169753;MM169753;C#CC(N)C=CCCF;GEVDHPGJBYFFJM-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169754;MM169754;C#CC(O)C=CCCC;QMCIFPVPNVDTHK-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169755;MM169755;C#CC(O)C=CCCO;NQWTXGGGDMOJRK-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169756;MM169756;C#CC(O)C=CCCF;QMMIHFIHZMIDSC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169757;MM169757;C#CC(F)C=CCCC;JBYRSVCIRAMTCU-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169758;MM169758;C#CC(F)C=CCCN;OXWIGPYMZNRBMH-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169759;MM169759;C#CC(F)C=CCCF;CYKIAGAMNUOJMS-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169760;MM169760;C#CC(O)C=CCNC;CBLZTZFQAPFBMC-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169761;MM169761;C#CC(F)C=CCNC;SBZTYSYAVFJIPC-UHFFFAOYSA-N;127.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169762;MM169762;C#CC(C)C=CCOC;IGBDFYVIANGLJH-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169763;MM169763;C#CC(C)C=COCC;SYZUOMLDOJGNCH-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169764;MM169764;C#CC(N)C=COCC;UJQFLWAKPLCABF-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169765;MM169765;C#CC(O)C=COCC;PLFXOZUQWNEQOZ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169766;MM169766;C#CC(F)C=COCC;VOOJZKREJWIXHE-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169767;MM169767;Cc1nn(O)c(=N)o1;NKRAFUUWYUYKRQ-UHFFFAOYSA-N;115.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169768;MM169768;C#CC(F)C=NNCC;NOIKPZBAZOERLE-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169769;MM169769;C#CC(C)C=NOCC;XPWXHEFAQHIGLH-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169770;MM169770;NC=NOC(=O)CO;YJWXLEKVOZUAES-UHFFFAOYSA-N;118.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169771;MM169771;C#CC(C)C=CCC=C;AANNARIZKXPMFD-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169772;MM169772;C#CC(C)C=CCC=O;RNDNHUKTANRMGR-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169773;MM169773;C#CC(C)C=CCC#N;LYMSGTMAZJHRDL-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169774;MM169774;C#CC(N)C=CCC=C;JMTKJMJHGQRGEH-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169775;MM169775;C#CC(O)C=CCC=C;KAIIFOZRSHCBBV-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169776;MM169776;C#CC(O)C=CCC=O;VRJBYIADUKCHQD-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169777;MM169777;C#CC(F)C=CCC=C;NENWMTLKBQDPJB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169778;MM169778;C#CC(F)C=CCC=O;KJHNTBJMBUHDAE-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169779;MM169779;C#CC(F)C=CCC#N;LOCXHCBNOGRPIR-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169780;MM169780;C#CC(C)C=CNC=O;HPDUGRDXSULAJH-UHFFFAOYSA-N;123.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169781;MM169781;C#CC(N)C=CNC=N;QRLLYFAXXIHVER-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169782;MM169782;C#CC(O)C=CNC=N;BRAQBCJLQOJTEO-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169783;MM169783;C#CC(C)C=COC=C;MIOGCMVHLJTDMU-UHFFFAOYSA-N;122.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169784;MM169784;C#CC(C)C=COC=O;IQRRPPWWOSBIBS-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169785;MM169785;C#CC(N)C=COC=C;KBZUOQHDTKYPKP-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169786;MM169786;C#CC(F)C=COC=C;VRAVPDZFGNFIID-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169787;MM169787;C#CC(F)C=COC=O;LAMPWPHMSNFGEB-UHFFFAOYSA-N;128.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169788;MM169788;C#CC(C)C=NNC=O;AEGJRIDAXKGSIL-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169789;MM169789;C#CC(C)C=NOC=O;PCIZNFOVJLRTLU-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169790;MM169790;CN=c1ocnn1O;ZIGSFRGNWBLSFQ-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169791;MM169791;C#CC(C)N=CNC=C;YEVPJISSSFLGCZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169792;MM169792;C#CCC=CC(C)C#C;RKSOAOFLFYHAEG-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169793;MM169793;C#CCC=CC(N)C#C;KBPQYXSQWXDBCY-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169794;MM169794;C#CCC=CC(O)C#C;FWFKWDBDSMWRTQ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169795;MM169795;C#CCC=CC(F)C#C;ICCNMYCXVLWYCQ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169796;MM169796;C=C(C=CCCC)CC;PCNZEBADCYJEQW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169797;MM169797;C=C(C=CCCN)CC;YRQVHKDWHBDVMR-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169798;MM169798;CC(C)(O)CC(=O)NN;RDAJQPZGSFTGAH-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169799;MM169799;C=C(C=CCCF)CC;UGHWKNAVLJHEGM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169800;MM169800;C=C(C=CCCC)CN;CGYRLBUNKBJXRM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169801;MM169801;C=C(C=CCCF)CN;YSXJLCPGUBLKBV-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169802;MM169802;C=C(C=CCCC)CO;HNTFSLFIFALWMN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169803;MM169803;C=C(C=CCCN)CO;GPYYEFDZIGKQGK-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169804;MM169804;C=C(C=CCCC)CF;NJLPGRMHHPOLQM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169805;MM169805;C=C(C=CCCN)CF;CBGKMLKYDLAHJZ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169806;MM169806;CCCC=CC(=O)CC;JPTOCTSNXXKSSN-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169807;MM169807;CCC(=O)C=CCCF;RMHYZFVOKSQQAG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169808;MM169808;CCCC=CC(=O)CF;HEDCMAJWJMBNRS-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169809;MM169809;O=C(C=CCCF)CF;KDYUYEMYALCMSP-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169810;MM169810;C=C(C=CCNC)CF;NUXLCSUXVCRKJU-UHFFFAOYSA-N;129.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169811;MM169811;C=C(C=CCOC)CC;LKUDMCWNNJMRSZ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169812;MM169812;C=C(C=CCOC)CO;RWAXPSLNZUTLDH-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169813;MM169813;C=C(C=CCOC)CF;FPIFVSPVKDJCOZ-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169814;MM169814;CCC(=O)C=CCOC;ZBJFGRPYQLQLDN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169815;MM169815;COCC=CC(=O)CO;SXGKKSLIYDHSLV-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169816;MM169816;COCC=CC(=O)CF;CEXGWMXPDASBJT-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169817;MM169817;CCCC=CC(=N)NC;FDCZAQQXBYSJOU-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169818;MM169818;CCCC=CC(=N)NN;AQJSOWRPUJQJLH-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169819;MM169819;CCCC=CC(=N)NO;INNAFUCVNHSRJI-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169820;MM169820;CC(C)(O)CNNC=O;NSNUYPRXHGYCGI-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169821;MM169821;CNC(=O)C=CCCN;ZGSMTOMRDSNBNF-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169822;MM169822;C=NNCC(C)(O)C=O;RFTOMZMRIFOADP-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169823;MM169823;CC(=NN)C(O)C(C)O;NBDDQPGUOXIMPU-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169824;MM169824;NCCC=CC(=O)NO;UJWLIWSIFYOEKF-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169825;MM169825;CNCC=CC(=N)NO;MOUATVRRIMCLRN-UHFFFAOYSA-N;129.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169826;MM169826;CNCC=CC(=O)NC;SSAOOCFCVBMXIA-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169827;MM169827;CNCC=CC(=O)NN;UXJRTAHZPWDXMH-UHFFFAOYSA-N;129.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169828;MM169828;CNCC=CC(=O)NO;HVAJQFGZKDCCQF-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169829;MM169829;COCC=CC(=N)NN;YZKFZTXAGYNKPZ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169830;MM169830;CCC(O)CNNC=O;XJOJLAGKOTWXGG-UHFFFAOYSA-N;132.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169831;MM169831;C=C(C=CCCC)OC;IPXZXMDZQQKPKN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169832;MM169832;C=C(C=CCCN)OC;ORKJZMPMVYOEDS-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169833;MM169833;C#CCCCC(=O)NN;CIWUFLALCXLZMC-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169834;MM169834;C=C(C=CCCF)OC;IMCVUKSCFPQHCE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169835;MM169835;CCCC=CC(=O)OC;GFUGBRNILVVWIE-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169836;MM169836;C=C(C=CCNC)OC;VYPCGQPNFRYHRC-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169837;MM169837;C=C(C=CCOC)OC;IPWRYHCMPNUVCR-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169838;MM169838;COCC=CC(=O)OC;JMXSTMJTPSFRNI-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169839;MM169839;CCNC=CC(=O)CC;PFMSLHKFUJOXSD-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169840;MM169840;C=C(C=COCC)CC;VWQRDMPWJMHENB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169841;MM169841;C=C(C=COCC)CN;FUOCAOBAVCJFGH-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169842;MM169842;C=C(C=COCC)CO;WEUVSZRJKLPRJF-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169843;MM169843;C=C(C=COCC)CF;OTQGOKBTJVVWJG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169844;MM169844;CCOC=CC(=O)CC;YMCSAYVUHVKCMT-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169845;MM169845;CCOC=CC(=O)CO;PQYRVBJBZJVEGK-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169846;MM169846;CCOC=CC(=O)CF;SQAJQSAGJABDFK-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169847;MM169847;CCOC=CC(=O)NO;BYIXQPZOMDDNOQ-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169848;MM169848;C=C(C=COCC)OC;UZNFLTOPSKYWJY-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169849;MM169849;CCOC=CC(=O)OC;YAHJGDKGXVOYKU-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169850;MM169850;C=C(C=NNCC)CC;RURJNAJMZUSKHC-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169851;MM169851;O=C(CO)ON=CNO;DRKIWZLAVULQLU-UHFFFAOYSA-N;134.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169852;MM169852;CCNN=CC(=O)CO;BSDRUSFHSNSWJH-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169853;MM169853;CCN(C)C(=O)NNC;CGMGPJOZVIUJCJ-UHFFFAOYSA-N;131.18;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169854;MM169854;CCNN=CC(=O)NO;CWWAODPWCZZMJJ-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169855;MM169855;C=C(C=NOCC)CC;WMJHKVZRZOTOJG-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169856;MM169856;C=C(C=NOCC)CF;PJBXYCFIICUFGC-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169857;MM169857;N=c1c(=N)n(O)on1O;DOKNULROILOYRL-UHFFFAOYSA-N;132.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169858;MM169858;CCON=CC(=O)CO;SKVVJYDSFUPSHO-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169859;MM169859;C=C(C=NOCC)OC;HGZYRXCQALFKQF-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169860;MM169860;C=CCC=CC(=C)CC;RGGGOHSERJFZDE-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169861;MM169861;C=C(C=CCC=O)CC;LTJZEQNFNKHGRH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169862;MM169862;C=C(C=CCC#N)CC;OVYSDTVTDDDYQM-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169863;MM169863;C=CCC=CC(=C)CN;UCAMXYXCJBYVTD-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169864;MM169864;C=CCC=CC(=C)CO;WIBHHISGCFAVNH-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169865;MM169865;C=CCC=CC(=C)CF;AEZXHVKCQJLCBB-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169866;MM169866;C=C(C=CCC=O)CF;NBZFRMLQCSYQCH-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169867;MM169867;C=C(C=CCC#N)CF;UGYLGDLTYMABSB-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169868;MM169868;C=CCC=CC(=O)CC;OUIGZIOSPHTNGY-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169869;MM169869;CCC(=O)C=CCC=O;AQLCWKBXLXBBRT-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169870;MM169870;CCC(=O)C=CCC#N;RRSNOAZVHSJUTD-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169871;MM169871;C=CCC=CC(=O)CF;STINKQITXPEHCK-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169872;MM169872;N#CCC=CC(=O)CF;BLIQQRWFZZATBB-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169873;MM169873;C=CCC=CC(=N)NC;LYMGJXHUDFKHQP-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169874;MM169874;CN=C(N)C=CCC=O;LOGFKBQPYSWQTQ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169875;MM169875;C=CCC=CC(=N)NN;IBFRQJNIVNGWMG-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169876;MM169876;N=c1cc(F)n(O)n1O;DKLBEOUSANQMGJ-UHFFFAOYSA-N;133.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169877;MM169877;N#Cc1nc(=N)n(O)o1;BYRJVBJLLPKPKF-UHFFFAOYSA-N;126.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169878;MM169878;C=CCC=CC(=C)OC;UOTLQEOAPZWXHH-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169879;MM169879;C=C(C=CCC#N)OC;XAAAEQRRXPACPY-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169880;MM169880;COC(=O)C=CCC#N;CNOSXWRCTSLFKU-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169881;MM169881;C=C(C=CNC=N)CC;BVLHNMNMWBZMPS-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169882;MM169882;C=C(C=CNC=O)CC;YLXQNKSHYGTRHN-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169883;MM169883;C=C(C=CNC=N)CN;SXCDWKOMVGXXGR-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169884;MM169884;C=C(C=CNC=O)CN;XPUCQTKFNRMOCR-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169885;MM169885;C=C(C=CNC=N)CO;FOHLEQDDOSEAAP-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169886;MM169886;C=C(C=CNC=N)CF;JPNFBBWVPWJAIZ-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169887;MM169887;CCC(=O)C=CN=CN;XSOZSSVTOOIGQX-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169888;MM169888;NC=NC=CC(=O)CO;XANHEVZXRFHDNR-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169889;MM169889;O=CNC=CC(=O)CF;YTTOVKBLXMEYHX-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169890;MM169890;CNC(=N)C=CNC=O;BFCIKVUPMZDHRQ-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169891;MM169891;N=CNC=CC(=N)NN;SQJLYDCXMGAKHQ-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169892;MM169892;N=C(C=CNC=O)NN;QFAKOAFINXKPMT-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169893;MM169893;N=CNC=CC(=N)NO;RRRGAEBDXTUTKS-UHFFFAOYSA-N;128.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169894;MM169894;CNC(=O)C=CN=CN;PXUFRRXTRXYTND-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169895;MM169895;NC=NC=CC(=O)NN;SYKCBKYXKCDESH-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169896;MM169896;C=NNC=CC(=N)NN;NMAJOSRHNLMMMM-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169897;MM169897;C=NNC=CC(=N)NO;CIZPJIHSKGFKAK-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169898;MM169898;CCc1nn(O)c(=N)o1;ZZIIYVCLPIKTMI-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169899;MM169899;C=NNC=CC(=O)NO;OEIVZIYAJCNOGR-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169900;MM169900;C=C(C=CNC=O)OC;PIOLNOIWYSRPME-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169901;MM169901;COC(=O)C=CN=CN;AKHCEDABAZMGBF-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169902;MM169902;C=COC=CC(=C)CC;XZIYJDIXNSVMRK-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169903;MM169903;C=C(C=COC=O)CC;XNEDCVXTRNQLOT-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169904;MM169904;C=COC=CC(=C)CN;SVVKVELYEXFYKM-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169905;MM169905;C=COC=CC(=C)CO;KDFNAJXKRMESMS-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169906;MM169906;C=COC=CC(=O)CC;LPNLSZJPLVARRK-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169907;MM169907;CCC(=O)C=COC=O;UCGFHFCLGHKMMC-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169908;MM169908;C=COC=CC(=O)CO;QEGQCXAGJHFTPI-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169909;MM169909;O=COC=CC(=O)CO;BLTZBKIPSQDKMN-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169910;MM169910;N=C(C=COC=O)NN;AWFKBPNLZONXSB-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169911;MM169911;Cc1nc(=NN)n(O)o1;MAFLBVGVZFHGKF-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169912;MM169912;O=COC=CC(=O)NO;DQFRLZQDGLOZRX-UHFFFAOYSA-N;131.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169913;MM169913;C=COC=CC(=C)OC;JVAJDWWQXPNYRB-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169914;MM169914;C=COC=CC(=O)OC;ALIVWPSFBGWQRM-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169915;MM169915;C=NN1CC=C(C)C1=N;JJDPODCFICKGEF-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169916;MM169916;C=C(C=NNC=N)CN;HHZJRKWDKQNGGO-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169917;MM169917;CON=CC(C#N)C=O;YBCXCTYWEOGBFB-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169918;MM169918;O=CNN=CC(=O)CO;XCUTUIVPJZPDCU-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169919;MM169919;CNC(=N)C=NNC=N;UJKSFTCXYICRFP-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169920;MM169920;CNC(=N)C=NNC=O;JSODZYCGUUCPPV-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169921;MM169921;CNC(=O)C=NNC=O;GAYRCGYMNAJNQH-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169922;MM169922;C=CC1=CC(=NN)CO1;QSNJMFGZWOZSOA-UHFFFAOYSA-N;124.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169923;MM169923;NC=NN=CC(=O)NO;ANCFYSROZMEFQC-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169924;MM169924;C=C(C=NOC=O)CC;SYKLHEMEVHLVAU-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169925;MM169925;C=C(C=NOC=O)CN;VLOXNVWBEMXVPO-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169926;MM169926;CC=NN=CNNC=O;ZSEWQPANXOQGRQ-UHFFFAOYSA-N;128.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169927;MM169927;O=CON=CC(=O)CO;XSAPIRJQMALPQL-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169928;MM169928;CNC(=N)C=NOC=O;QXXVQQSTLDDHHD-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169929;MM169929;C=C(C(=O)NN)C1CN1;MEDTWQBILGUSEL-UHFFFAOYSA-N;127.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169930;MM169930;CNC(=O)C=NOC=O;RGBUSALNPLYCRR-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169931;MM169931;C=C(C=NOC=O)OC;FUVHYZCOQLZCQP-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169932;MM169932;C=CN=CNC(=N)CC;SRESSFNEEXCYET-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169933;MM169933;C=CN=CNC(=N)CN;OXQBFQMUHUGYHY-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169934;MM169934;C=CN=CNC(=N)CO;CGYUUXUYVBSRRU-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169935;MM169935;C=CN=CNC(=O)CO;KAPZWNUCSREMIX-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169936;MM169936;C=CN=CNC(=N)NN;CAFIDMZTZHHDTB-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169937;MM169937;C=C(C)CC(=O)NN(C)C;YQICCJMMHLFXEN-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169938;MM169938;C=C(C(=O)NN)C(C)(C)O;YOAFXFVLLCVYSC-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169939;MM169939;C=CN=CNC(=O)NO;RDLFPPFRVSJCTE-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169940;MM169940;C#CCC=CC(=C)CC;MSPZXFAABVGWDZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169941;MM169941;C#CCC=CC(=C)CN;GEWYIXHWARNQOS-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169942;MM169942;C#CCC=CC(=C)CO;UQYCZBIVXZGNAM-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169943;MM169943;C#CCC=CC(=C)CF;HOJXTLGUYLIOCR-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169944;MM169944;C#CCC=CC(=O)CC;MEIFMTKOAHFADM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169945;MM169945;C#CCC=CC(=N)NC;IBUVYHHELNROIX-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169946;MM169946;C#CCC=CC(=N)NN;JBSYIEBWMKXQTO-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169947;MM169947;C#CCC(C)(C)C(=O)NN;PSKOHNHNKVJXFY-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169948;MM169948;C=NN=CC(C)(O)C=NN;DSJOGPZCUHBPIV-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169949;MM169949;C#CCC=CC(=O)NO;IYPDTGTXKOLZPM-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169950;MM169950;C#CCC=CC(=C)OC;RCZMTVZORRATTR-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169951;MM169951;C#CCC=CC(=O)OC;MCLLRVLKXTXQTF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169952;MM169952;C=CC(=C)C=CCCC;MFZQPCWOTMLJSE-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169953;MM169953;C=CC(=C)C=CCCN;UPHOXCHHWIBZKI-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169954;MM169954;CC(O)C(C)(C)NNC=O;QZGXIHBCYCFAQR-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169955;MM169955;C=CC(=C)C=CCCF;BPPGLTIPGLDSKE-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169956;MM169956;C=C(C=O)C=CCCC;JEJWQWKBSXTJLX-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169957;MM169957;C=C(C#N)C=CCCC;BKXLOCSODKMJSL-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169958;MM169958;CC=CCN(C)NC(C)=O;XCEYRPAFCROFSI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169959;MM169959;C=C(C=O)C=CCCF;MDJQOJSEUJIIJU-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169960;MM169960;C=C(C#N)C=CCCF;LCHCGYAKXPMJDP-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169961;MM169961;C=CC(=O)C=CCCC;KLBAYHDGSRBDKN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169962;MM169962;C=CC(=O)C=CCCF;YHWZCMBAMMXFPH-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169963;MM169963;CCCC=CC(=O)C=O;JJPYQSXWXBJMLA-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169964;MM169964;CCCC=CC(=O)C#N;AUVNERBCWAZAEA-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169965;MM169965;CC=CCC(=O)NN(C)C;FHKGMSVVEVUNCV-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169966;MM169966;O=CC(=O)C=CCCF;GLEUHMCOPJCWEM-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169967;MM169967;N#CC(=O)C=CCCF;KPAWWQDHVSCUKW-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169968;MM169968;CNCC=CC(=O)C=O;SIERLUNSWKRPFB-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169969;MM169969;C=CC(=C)C=CCOC;MWZQLRQYAATZMB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169970;MM169970;C=C(C=O)C=CCOC;MJGNSDZSRUUVOK-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169971;MM169971;C=C(C#N)C=CCOC;ZDIQCPFXJKQDEO-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169972;MM169972;C=CC(=O)C=CCOC;PDVBZBXQWALVAR-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169973;MM169973;C=CC(=C)C=COCC;ZBCAKXYATDDNDV-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169974;MM169974;C=C(C=O)C=COCC;VZBBUHPNPRKEHV-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169975;MM169975;C=C(C#N)C=COCC;KRNGRIAUYWCCKE-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169976;MM169976;C=CC(=O)C=COCC;MMRHMKSYWKWRLQ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169977;MM169977;CCOC=CC(=O)C#N;SNZGFLPTMZAZMM-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169978;MM169978;C=CC(=C)C=NNCC;XHJMIDZMYWVXMN-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169979;MM169979;C=C(C=O)C=NNCC;JWENRMBQUIKKFY-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169980;MM169980;CC=NNCC(C)(O)C=O;KOLWSNOLZLELCW-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169981;MM169981;CC(C)C=NOC(=O)CO;QFXLBGVBOQSLCI-UHFFFAOYSA-N;145.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169982;MM169982;C=CC(=C)C=NOCC;DTLHTFBGXIZVSX-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169983;MM169983;C=C(C#N)C=NOCC;YIBWFBYRPFFMJX-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169984;MM169984;C=CC(=O)C=NOCC;RNELDPACNOPRNW-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169985;MM169985;C=CCC=CC(=C)C=C;MYUKNKFPWNUWFF-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169986;MM169986;C=CC(=C)C=CCC=O;SUMZNDPEAAWWCG-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169987;MM169987;C=CC(=C)C=CCC#N;IMLVNPOVZDYCMB-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169988;MM169988;C=CCC=CC(=C)C=O;CBPAGPKIHYYSQP-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169989;MM169989;C=CCC=CC(=C)C#N;RSFIIPASDDHZRI-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169990;MM169990;C=C(C=O)C=CCC=O;JMYGXCOPNYCOKS-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169991;MM169991;C=C(C#N)C=CCC#N;NFEKSEPVZYHCCB-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169992;MM169992;C=CCC=CC(=O)C=C;VTCUPPVVCZSVJQ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169993;MM169993;C=CC(=O)C=CCC=O;XFULOSRHBNSTLK-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169994;MM169994;C=CCC=CC(=O)C=O;YGACVYUNCCYUMX-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169995;MM169995;O=CCC=CC(=O)C=O;GBEGXTBWIMGGLJ-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169996;MM169996;N#CCC=CC(=O)C#N;ICXJHQFUQJOHCR-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169997;MM169997;C=CC(=C)C=CNC=N;RJELCRQRNVZFMO-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169998;MM169998;C=CC(=C)C=CNC=O;FMWGPFYSGFIFDC-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM169999;MM169999;C=C(C=O)C=CNC=N;UNGBJZASIWGBHE-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170000;MM170000;C=C(C=O)C=CNC=O;KFDASMGFSZJRIS-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170001;MM170001;C=CC(=O)C=CNC=N;HRKNUIPFODDSJA-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170002;MM170002;C=COC=CC(=C)C=C;ZOQLEUGSQSUAKO-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170003;MM170003;C=CC(=C)C=COC=O;CFQKWWQUCRQCKW-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170004;MM170004;C=COC=CC(=C)C=O;COAPTFDVDIFXQF-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170005;MM170005;C=COC=CC(=C)C#N;LDZDESJZBRUZEC-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170006;MM170006;C=COC=CC(=O)C=C;MCLYSTIGYFJILM-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170007;MM170007;N#CC(=O)C=COC=O;WKWVGRNOVXWXMP-UHFFFAOYSA-N;125.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170008;MM170008;C=CC(=C)C=NNC=O;RNJUWJDXUUYVBD-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170009;MM170009;C=C(C#N)C=NNC=O;JRBQRXFWIWPUOU-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170010;MM170010;C=CC(=C)C=NOC=O;MKHDGLMXXDHHRS-UHFFFAOYSA-N;125.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170011;MM170011;C=C(C#N)C=NOC=O;GZWKOFYMBNGRRL-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170012;MM170012;C=CC(=O)C=NOC=O;CTNAEGAHCAVDON-UHFFFAOYSA-N;127.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170013;MM170013;C=CN=CNC(=N)C=C;NNHHWDSUPKSSDE-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170014;MM170014;CN(C)C=NOC(=O)CO;WFZLSGADHVXFDI-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170015;MM170015;C#CCC=CC(=C)C=C;ZHWSTHSGYIGWFJ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170016;MM170016;C#CCC=CC(=C)C=O;SLGZBFPGBULMSA-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170017;MM170017;C#CCC=CC(=C)C#N;QLUOWEKIRJCALN-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170018;MM170018;C#CCC=CC(=O)C=C;KELDTXHDOJXOFV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170019;MM170019;C#CCC=CC(=O)C=O;FRFBRKUPLUYADD-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170020;MM170020;C#CCC=CC(=O)C#N;HIJIZXDJRXWGFO-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170021;MM170021;C#CC(=C)C=CCCC;DXPMNCCDHQGDNM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170022;MM170022;C#CC(=C)C=CCCN;ABZKUXGKMIWNAH-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170023;MM170023;CN(N)C=NOC(=O)CO;PNTUCZQWCFRNPZ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170024;MM170024;C#CC(=C)C=CCCF;SJOGBDMTLDJCRF-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170025;MM170025;C#CC(=O)C=CCCC;DFOOBJJFSPZMLS-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170026;MM170026;C#CC(=C)C=CCNC;KKVYSBYGRAOISS-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170027;MM170027;C#CC(=C)C=CCOC;QDTFLWUPTHYXSJ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170028;MM170028;C#CC(=C)C=COCC;OZGSXRSXPFSPQS-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170029;MM170029;C#CC(=O)C=COCC;RXHZJKCIXBQSNI-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170030;MM170030;C#CC(=C)C=NNCC;SXZCQVVTMWFBNW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170031;MM170031;C#CC(=C)C=NOCC;KERRICBXPMLUFG-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170032;MM170032;C#CC(=C)C=CCC=C;KZPXYTOCPRNDQU-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170033;MM170033;C#CC(=C)C=CCC=O;OVMLEEFSRFQPHZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170034;MM170034;C#CC(=C)C=CCC#N;SSFQHBIFIIQCKP-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170035;MM170035;C#CC(=O)C=CCC=C;XZJXAHQJJSTEKH-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170036;MM170036;C#CC(=C)C=CNC=N;HPSJNQSEDCFVLK-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170037;MM170037;C#CC(=C)C=COC=C;VXBUVLSZRKZXPY-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170038;MM170038;C#CC(=C)C=COC=O;WYGMKSJXRNWQIT-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170039;MM170039;C#CC(=O)C=COC=C;DZJROKZZJDNJSI-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170040;MM170040;C#CC(=C)C=NOC=O;VKONFCNUGKEARR-UHFFFAOYSA-N;123.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170041;MM170041;C#CC(=O)NC=NC=C;CKPSVZAYKRLUHC-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170042;MM170042;C#CCC=CC(=C)C#C;XVUXOYIZBOMUTP-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170043;MM170043;C#CCC=CC(=O)C#C;TYKMIDBDMFQFJR-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170044;MM170044;CC=CC=CC(C)CC;MGFAFYLJIAXUOM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170045;MM170045;CCC(C)C=CC=CF;GAZXILNYTBUJMY-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170046;MM170046;CC=CC=CC(C)CN;MVEFXVSMIDMEPV-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170047;MM170047;CC(C=CC=CF)CN;HOTGHRBODCISNB-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170048;MM170048;CC(C#CC=NN)NC=O;SRWIHSHAUTZFAR-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170049;MM170049;CN(NC=O)C(=N)C(N)=O;LLSMZXAXFQENJO-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170050;MM170050;CC=CC=CC(C)CF;RZISFDFEDNAYDY-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170051;MM170051;CC=CC=CC(N)CC;AWRABZUSFLNTRM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170052;MM170052;CCC(N)C=CC=CF;UZICUGKXJXHBBS-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170053;MM170053;CC=CC=CC(N)CN;KYRUIDPMGMVIGL-UHFFFAOYSA-N;126.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170054;MM170054;NCC(N)C=CC=CF;RHJGWYPIIREUSH-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170055;MM170055;CNN=C(C)C(O)C(C)O;XTBPFFIRJJCQAL-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170056;MM170056;C=CCc1nn(O)c(=N)o1;CAEVQQYCIHSELY-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170057;MM170057;CC=CC=CC(O)CO;UZZINJPQTHZHRK-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170058;MM170058;OC(C=CC=CF)CF;ZVRROHYNFNLPIH-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170059;MM170059;CC=CC=CC(F)CC;FSSMGRZJGZHUDO-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170060;MM170060;CC=CC=CC(F)CN;KESJBBSWVSMQHK-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170061;MM170061;NCC(F)C=CC=CF;NNCNRKZTMJTBMK-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170062;MM170062;CC=CC=CC(F)CO;VCLJAOIKFFWBMN-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170063;MM170063;OCC(F)C=CC=CF;CCWYTLOFKZDRGV-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170064;MM170064;CC=CC=CC(F)CF;CAGGNLJRJNLCDU-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170065;MM170065;FC=CC=CC(F)CF;YMMIMTARIHUREZ-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170066;MM170066;CCC(C)C=CC=NN;VJDYHHXWYIVZPR-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170067;MM170067;N=c1oc(=O)c(N)nn1O;CZJNOIYZEQTEQZ-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170068;MM170068;CC(C=CC=NO)CF;CLPCKMDPFUOGIH-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170069;MM170069;NCC(N)C=CC=NO;KMELWGXFFOIRPX-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170070;MM170070;NC(C=CC=NO)CO;DDQQNVCSIVTPMM-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170071;MM170071;NC(C=CC=NO)CF;DRRBHLUPJKFDGP-UHFFFAOYSA-N;132.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170072;MM170072;CC(C)c1nn(O)c(=N)o1;VVSZHJYREOJZTA-UHFFFAOYSA-N;143.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170073;MM170073;NCC(O)C=CC=NO;WBJYPXIQHMBOFT-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170074;MM170074;C=CC(N)=NOC(=O)CO;GQAZJBNRQHVMHI-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170075;MM170075;OCC(O)C=CC=NO;WAEBSWTZMRIEOR-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170076;MM170076;CCC(F)C=CC=NN;HNPCCPXBBJCJFK-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170077;MM170077;CCC(F)C=CC=NO;AJVFIMQUZUUOQD-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170078;MM170078;OCC(F)C=CC=NO;FQZDNRKURCBEKK-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170079;MM170079;CC=CC=CC(C)NC;HAIAECVNLJTXNP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170080;MM170080;CNC(C)C=CC=CF;POXLWJHVPGQHCA-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170081;MM170081;CC=CC=CC(C)OC;AZTHOSPZOAGEHT-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170082;MM170082;COC(C)C=CC=CF;HKSMAHGQLAZJNB-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170083;MM170083;COC(C)C=CC=NN;BZFQQFDWKRZHTC-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170084;MM170084;COC(C)C=CC=NO;YZYDYKRDWNETRJ-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170085;MM170085;CC=NN=CC(C)CC;QYHSCHSMHRNIBP-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170086;MM170086;CC=NN=CC(C)CO;RAHVEQNHPWWNSM-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170087;MM170087;CC=NN=CC(C)CF;VUVZUSMSBIQIOT-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170088;MM170088;CC=NN=CC(N)CN;IMXZIOGOEXSPDX-UHFFFAOYSA-N;128.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170089;MM170089;CC=NN=CC(O)CC;NKJUALCSVYPAPH-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170090;MM170090;CC=NN=CC(O)CN;KOVAEYQEHIBMGC-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170091;MM170091;CC=NN=CC(O)CF;KBRAJFVSROHRGO-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170092;MM170092;CC=NN=CC(F)CC;NVANFWZJBPPDHD-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170093;MM170093;CC=NN=CC(F)CN;UNNGQMPGTWXOJW-UHFFFAOYSA-N;131.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170094;MM170094;CC=NN=CC(F)CO;QGUZPOCLGPUYGE-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170095;MM170095;CC=NN=CC(C)OC;KHJRXUUEOCMHMQ-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170096;MM170096;CCN(N)C=NC=NO;RNQZOGKKQMNBIR-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170097;MM170097;C#CC(N)=NOC(=O)CO;XUOXIOPRZRDDLC-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170098;MM170098;CCN(O)C=NC=NO;HDCMTTJPENGRQQ-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170099;MM170099;CNN(C)C=NC=NO;MZCMUCOOZHQKDR-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170100;MM170100;CN=CN=CN(C)OC;RADDZUBPGBYRSZ-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170101;MM170101;CC(=NOC(=O)CO)NN;QIQTZYBJXIMKSD-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170102;MM170102;CON(C)C=NC=NO;ZBWUTYANUIUUCI-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170103;MM170103;CC=NN=CN(C)CC;FMGOYWLIQTZNNL-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170104;MM170104;CC=NN=CN(N)CC;YLHWUBNPIFVJDU-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170105;MM170105;CC(=CCC(=O)NN)CO;FYZYTEZWNLYCLZ-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170106;MM170106;CC=NN=CN(C)OC;NKSLWIOWQNRHGO-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170107;MM170107;CC=CC=NN(C)CC;SRCBRLHSSHJBOV-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170108;MM170108;CCN(C)N=CC=CF;XHBMFHNIYNFQMJ-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170109;MM170109;C=CC(C)C=CC=CC;WSYKEECCWKACFO-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170110;MM170110;C=CC(C)C=CC=CF;IUIAJHFLWCKHST-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170111;MM170111;CC=CC=CC(C)C=O;NCCLLJYGGUKQLO-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170112;MM170112;CC=CC=CC(C)C#N;BJFODECBORECLM-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170113;MM170113;CC(C=O)C=CC=CF;IXHGBOCIEVTORM-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170114;MM170114;CC(C#N)C=CC=CF;QMIKLNZDXILQPD-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170115;MM170115;C=CC(N)C=CC=CC;NBIOVZPKPCZBQA-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170116;MM170116;C=CC(N)C=CC=CF;VPCLIIAEDYZZLG-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170117;MM170117;COC(C)=CCC(=O)NN;VVUTVEJJZDKHBN-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170118;MM170118;C#CC(O)C1NC1(C)C=C;GOQBGDVSAOFROB-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170119;MM170119;CC=CC=CC(O)C#N;KKZBEJYQUGERIB-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170120;MM170120;N#CC(O)C=CC=CF;CTLREMASUYFEHC-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170121;MM170121;C=CC(F)C=CC=CC;CCWOMADDVCWVDA-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170122;MM170122;C=CC(F)C=CC=CF;LRZXYKPDIINOCI-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170123;MM170123;CC=CC=CC(F)C=O;XORMJVJADYQBQJ-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170124;MM170124;CC=CC=CC(F)C#N;XMXAXHDOHUQHJY-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170125;MM170125;N#CC(F)C=CC=CF;VFVGVJQJGBKAAA-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170126;MM170126;C=CC(C)C=CC=NN;JKPVVGYZDWHOOS-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170127;MM170127;C#CC(O)C1NC1(C)C=O;IXKOLMMRSWIPPH-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170128;MM170128;CC(C=O)C=CC=NO;NDQFDDKHXWEDTA-UHFFFAOYSA-N;127.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170129;MM170129;CC(C#N)C=CC=NO;XMRVADHGVISSKR-UHFFFAOYSA-N;124.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170130;MM170130;C=CC(F)C=CC=NN;AIKCONGONHLNEG-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170131;MM170131;C=CC(F)C=CC=NO;HIHPOQSKDQAHIN-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170132;MM170132;C=CC(C)C=NN=CC;OZRNFKUMRWQUFD-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170133;MM170133;C=CNC=NOC(=O)CO;ACZRFZDKWDSMCO-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170134;MM170134;C=CC(O)C=NN=CC;VVKRQNTYXVJEKT-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170135;MM170135;C=CC(F)C=NN=CC;NWRHGVVAMLYLAF-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170136;MM170136;CC=NN=CC(F)C=O;WRXZLXODEXVYEO-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170137;MM170137;CC=NN=CC(F)C#N;NKBHLWFNJZJHRV-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170138;MM170138;CC=CC=CN(C)C=N;LQTIJNSESGKUBD-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170139;MM170139;CN(C=N)C=CC=CF;HOJFNGPUFGFJIH-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170140;MM170140;CC=CC=CN(C)C=O;RLTSCGWZONKXJF-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170141;MM170141;CC=CC=CN(N)C=N;JZMIKXPZDRTXSR-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170142;MM170142;N=CN(N)C=CC=CF;OYSNLNZDWPMKRX-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170143;MM170143;CC=CC=CN(N)C=O;SVMPYZMJOSDTCE-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170144;MM170144;CC=CC=CN(O)C=N;TVXPADUXGXHUJS-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170145;MM170145;CC=CC=CN(O)C=O;UAHLKZCJYIIFDH-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170146;MM170146;O=CN(O)C=CC=CF;GUTZQTYKZCZWJK-UHFFFAOYSA-N;131.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170147;MM170147;CN(C=N)C=CC=NN;IJNCZRYKYOQGRF-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170148;MM170148;CN(C=N)C=CC=NO;CDMAIXQIZJMEJC-UHFFFAOYSA-N;127.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170149;MM170149;CN(C=O)C=CC=NN;IQIAGHGHHKWWMB-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170150;MM170150;N=CN(N)C=CC=NN;XCLBWZBDWFGRAH-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170151;MM170151;NN=CC=CN(N)C=O;DAOKPQOLRHTTCQ-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170152;MM170152;NN(C=O)C=CC=NO;JEZRLENKDATKPR-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170153;MM170153;Cc1c(F)n(O)n(O)c1=N;ANDRCYSQWQWTLX-UHFFFAOYSA-N;147.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170154;MM170154;CN(C=N)C=NC=NN;MMIBFVYHHNSDSK-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170155;MM170155;CN(C=N)C=NC=NO;QBLATXMSGFIMJD-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170156;MM170156;CN(C=O)C=NC=NO;YXLWYPOKXOYGRS-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170157;MM170157;N=CN(N)C=NC=NO;NZHYVMPINUUFRT-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170158;MM170158;CN=CN=CN(N)C=O;GTVWOBRNBGLEDN-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170159;MM170159;CN=c1cc(F)n(O)n1O;PDMZOJOAGZEDIJ-UHFFFAOYSA-N;147.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170160;MM170160;NN(C=O)C=NC=NO;RANDUSFHJYMIMS-UHFFFAOYSA-N;130.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170161;MM170161;CN=c1c(=N)n(O)on1O;IPTGHFWPSFMMBS-UHFFFAOYSA-N;146.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170162;MM170162;O=CN(O)C=NC=NO;CXYGUCFKPAFLSE-UHFFFAOYSA-N;131.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170163;MM170163;C=CN(C)C=NN=CC;HBENMVPVSJAZMN-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170164;MM170164;CCc1nc(=NN)n(O)o1;UUCUNSVTNICMBS-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170165;MM170165;C=NN(C)C=NN=CC;LALCYCABBQVTSZ-UHFFFAOYSA-N;126.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170166;MM170166;CC=CC=NN(C)C=N;NFFDACUBRVRORI-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170167;MM170167;CN(C=O)N=CC=CF;CASOIABONZGJDF-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170168;MM170168;NN=c1nc(CF)on1O;HXEQGJSLQWJXOO-UHFFFAOYSA-N;148.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170169;MM170169;CN=c1nc(C#N)on1O;FTSFPKBZIJGEJG-UHFFFAOYSA-N;140.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170170;MM170170;C#CC(C)C=CC=CC;JWJHAKROCAMWGY-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170171;MM170171;C#CC(C)C=CC=CF;DCUMGOHYUPAIIB-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170172;MM170172;C#CC(N)C=CC=CC;XPDDFZDBBQECQP-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170173;MM170173;C#CC(N)C=CC=CF;PAUPHTKRVGGSCZ-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170174;MM170174;C#CC(O)C=CC=CC;RLLKIJNPVVBTQZ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170175;MM170175;C#CC(O)C=CC=CF;WXZTWGZPHOAJRL-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170176;MM170176;C#CC(F)C=CC=CC;AIFBZBXLKRUKJQ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170177;MM170177;C#CC(F)C=CC=CF;NYQLGKGPSSCMSW-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170178;MM170178;C#CC(C)C=CC=NO;SEFSMLCBCSOSLJ-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170179;MM170179;C#CC(F)C=CC=NN;FQGIMJZTQLRIBL-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170180;MM170180;C#CC(F)C=CC=NO;MGFHKZDMTXXMPX-UHFFFAOYSA-N;127.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170181;MM170181;C#CC(C)C=NN=CC;GAUCBAGBIOOCPI-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170182;MM170182;C#CC(O)C=NN=CC;QIKOTMDSPNQXET-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170183;MM170183;C#CC(F)C=NN=CC;CEMZMCFYLIEGPG-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170184;MM170184;C=C(C=CC=CC)CC;AZILXBMCIHXYBU-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170185;MM170185;C=C(C=CC=CF)CC;HDWQZLIZHWEYCI-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170186;MM170186;C=C(C=CC=CC)CN;NEXUCGXRCAUOKJ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170187;MM170187;C=C(C=CC=CC)CO;BDZJKNZXLIFSRW-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170188;MM170188;C=C(C=CC=CF)CO;IZMRSLDBCRZHIK-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170189;MM170189;C=C(C=CC=CC)CF;LKXVVPWDQNQSMK-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170190;MM170190;C=C(C=CC=CF)CF;PWPGJRNQKBWVCJ-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170191;MM170191;CC=CC=CC(=O)CC;UBLWTRYMJZIZQM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170192;MM170192;CCC(=O)C=CC=CF;UYKQALJDUGQPAX-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170193;MM170193;CC=CC=CC(=O)CF;ICWAAJDXENYRIP-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170194;MM170194;O=C(C=CC=CF)CF;FIETXMFTESJQAR-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170195;MM170195;C=C(C=CC=NN)CC;VJKPNKRBRHOXCA-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170196;MM170196;C#Cc1nc(=NC)n(O)o1;DFPSWTVPQOHPPZ-UHFFFAOYSA-N;139.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170197;MM170197;C=C(C=CC=NO)CO;PQUGQWLRGWEZEW-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170198;MM170198;C=C(C=CC=NN)CF;SIGGNFKFNHCVFN-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170199;MM170199;C=C(C=CC=NO)CF;PGJPHGRIFUEPNN-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170200;MM170200;CCC(=O)C=CC=NO;VPOHWVWKYWQCFV-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170201;MM170201;CC=CC=CC(=N)NC;QSGUEJDDCXDLSP-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170202;MM170202;CC=CC=CC(=N)NN;WEEUBXFWCXHHGO-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170203;MM170203;CC=CC=CC(=N)NO;XRNIOMDBHFZYCG-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170204;MM170204;NN=c1nnc(N)nn1O;HRDYKVDNDWENSX-UHFFFAOYSA-N;143.11;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170205;MM170205;CC=CC=CC(=O)NO;AKPBWCUNVIPWOM-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170206;MM170206;N=C(C=CC=NO)NO;RHLVMWLAOURACM-UHFFFAOYSA-N;129.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170207;MM170207;C#CC(O)C1C(C=C)N1C;CJDFUUPRKXVCFC-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170208;MM170208;CNC(=O)C=CC=NO;ODRQAZMXARNSLA-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170209;MM170209;C#CC(O)C1C(C=O)N1C;UWRRKYDVVOPEOW-UHFFFAOYSA-N;139.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170210;MM170210;NN=CC=CC(=O)NO;HBJMCGIGFXNDPC-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170211;MM170211;C=C(C=CC=CC)OC;YOOWXDUETJJKJG-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170212;MM170212;C=C(C=CC=CF)OC;KBLIXXKDPAALAE-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170213;MM170213;CC=CC=CC(=O)OC;KWKVAGQCDSHWFK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170214;MM170214;C=C(C=CC=NN)OC;FHPHIZAELMDQFF-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170215;MM170215;C=C(C=CC=NO)OC;KVJCLGLYYKCFRQ-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170216;MM170216;C=C(C=NN=CC)CC;XHBNRHKLQAGAJU-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170217;MM170217;C=C(C=NN=CC)CN;AEHMXODNRVRJET-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170218;MM170218;C=C(C=NN=CC)CO;GWTXCYJYISCQGK-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170219;MM170219;C=C(C=NN=CC)CF;NCEBYBYZVNAILN-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170220;MM170220;CC=NN=CC(=O)CC;KZXMEJQYDXHGTJ-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170221;MM170221;CC=NN=CC(=O)CO;PQVVMOJOJFMYMJ-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170222;MM170222;C=C(C=NN=CC)OC;JPWUBQXVVUWAKI-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170223;MM170223;CC=NN=CC(=O)OC;URWYOUSIIDUOOH-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170224;MM170224;C=CC(=C)C=CC=CC;LNNPHVLHPWTUFB-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170225;MM170225;C=CC(=C)C=CC=CF;FUUWWTRUTDJFJO-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170226;MM170226;C=C(C=O)C=CC=CC;NJEBAKLFBQTGMJ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170227;MM170227;C=C(C#N)C=CC=CC;ZEIHIVJLPBIRTL-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170228;MM170228;C=C(C=O)C=CC=CF;UIKBLHQTTVJFMK-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170229;MM170229;C=C(C#N)C=CC=CF;UQLUQSONVALESJ-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170230;MM170230;C=CC(=O)C=CC=CC;FAURGQQFMLYYKR-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170231;MM170231;C=CC(=O)C=CC=CF;DAMKLWODAHBTPV-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170232;MM170232;CC=CC=CC(=O)C=O;LKXYVVWLOFXKFZ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170233;MM170233;CC=CC=CC(=O)C#N;ZZAOVMBTMFJELS-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170234;MM170234;O=CC(=O)C=CC=CF;QQTILIMVSXYAOC-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170235;MM170235;N#CC(=O)C=CC=CF;KBCWOINJMXXHQS-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170236;MM170236;C=CC(=C)C=CC=NN;DOPMXSSSFZZTHI-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170237;MM170237;CCc1ncc(NO)nn1;HAVHXUIQGKLYAO-UHFFFAOYSA-N;140.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170238;MM170238;C=C(C=O)C=CC=NO;ZLOGBGYSMSSWBP-UHFFFAOYSA-N;125.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170239;MM170239;C=CC(=C)C=NN=CC;LORJHCNPBNIWOX-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170240;MM170240;C=C(C=O)C=NN=CC;DUSWYAYLMUGBIO-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170241;MM170241;C=C(C#N)C=NN=CC;MTZGWBIZXYWHLF-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170242;MM170242;C=CC(=O)C=NN=CC;BRSPXYFFDOBLRT-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170243;MM170243;CC=NN=CC(=O)C#N;NSUQUEXLYBQHMJ-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170244;MM170244;C#CC(=C)C=CC=CC;ANKYBNDKYYWNTI-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170245;MM170245;C#CC(=C)C=CC=CF;PHYSXUXRVARSNC-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170246;MM170246;C#CC(=O)C=CC=CC;YEQNIVLHMFQQPG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170247;MM170247;C#CC(=C)C=CC=NN;NLHXCKXBGYXASI-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170248;MM170248;C#CC(=C)C=CC=NO;HMCFUSUUKXNKFK-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170249;MM170249;C#CC(=C)C=NN=CC;HBYPDBFTQRAFOS-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170250;MM170250;C#CC(=O)C=NN=CC;OGZDTSWFRLHZFH-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170251;MM170251;CC#CC=CC(C)CC;DLPZWOZBBPAPLP-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170252;MM170252;CC#CC=CC(C)CN;WELLXEPDWABRLE-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170253;MM170253;NN=c1ncon1O;PIKDJARXVOZWLM-UHFFFAOYSA-N;116.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170254;MM170254;CC#CC=CC(C)CF;WHSSTWFUVMJUQH-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170255;MM170255;CC#CC=CC(N)CC;KCOANHUINXCSDI-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170256;MM170256;CC#CC=CC(N)CN;KQFMQZIQMLTFMZ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170257;MM170257;CC#CC=CC(N)CO;DMOSKWVQWOUHGI-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170258;MM170258;CC#CC=CC(N)CF;CRWUULCUMDWODB-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170259;MM170259;CCC(O)CC(=O)NN;KNYNTQHEEZDJNT-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170260;MM170260;CC#CC=CC(O)CN;AXVMULLQKDXLQO-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170261;MM170261;CC#CC=CC(O)CF;YEZDAEZQMBGERX-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170262;MM170262;CC#CC=CC(F)CC;FDANKUAGOLXNNY-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170263;MM170263;CC#CC=CC(F)CN;REULUBYKYFXZMI-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170264;MM170264;CC#CC=CC(F)CO;DICZQOKUEKMUTM-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170265;MM170265;CC#CC=CC(F)CF;LVLBMHGKAAOQHJ-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170266;MM170266;CC#CC=CC(C)NC;RMGAGJVCRQDHGA-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170267;MM170267;CC#CC=CC(C)OC;AHJLSSHVKXVJBF-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170268;MM170268;CC#CC=NN(C)CC;UGIGLBSYWJLFSY-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170269;MM170269;C=CC(C)C=CC#CC;QOFHAYFDIAPEQM-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170270;MM170270;CC#CC=CC(C)C=O;KLPCUONCSWJHRE-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170271;MM170271;CC#CC=CC(C)C#N;NUXWATYNULDVFC-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170272;MM170272;C=CC(N)C=CC#CC;VOJQZKYNKATBPL-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170273;MM170273;C=CC(O)C=CC#CC;KFGXLFQCDMEBEK-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170274;MM170274;CC#CC=CC(O)C=O;UHEBICRJZJTGCD-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170275;MM170275;CC#CC=CC(O)C#N;QILNZCISJFUVGY-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170276;MM170276;C=CC(F)C=CC#CC;YXJQCCMXDKPGIY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170277;MM170277;CC#CC=CC(F)C=O;AUFZSJUNEAGJCR-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170278;MM170278;CC#CC=CC(F)C#N;KFQWSFXJDDOMPR-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170279;MM170279;CC#CC=CN(C)C=N;XROMPKUQVLRJDX-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170280;MM170280;CC#CC=CN(C)C=O;OGZYRVAFRPKXGS-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170281;MM170281;CC#CC=CN(N)C=N;KTKDEYIIOXBHDV-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170282;MM170282;C#CC(C)C=CC#CC;WYUAQLCXSZMEAO-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170283;MM170283;C#CC(N)C=CC#CC;KUKFQXUGHOUJGR-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170284;MM170284;C#CC(O)C=CC#CC;VTNMJUYSQWYAKO-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170285;MM170285;C#CC(F)C=CC#CC;UNUAMQVONXIFEG-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170286;MM170286;C=C(C=CC#CC)CC;GWUGMFGIPKBHCU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170287;MM170287;C=C(C=CC#CC)CN;LAWASHICORXYLT-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170288;MM170288;C=C(C=CC#CC)CO;JJFUWXDVAIDPAE-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170289;MM170289;C=C(C=CC#CC)CF;ZDDGVNJRKOLBBB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170290;MM170290;CC#CC=CC(=O)CC;KARISIRYNBTNFO-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170291;MM170291;CC#CC=CC(=O)CO;JJQABVARXCZFNC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170292;MM170292;CC#CC=CC(=N)NC;WJCRJUVNDBPIBB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170293;MM170293;CC#CC=CC(=N)NN;UYGWKIHLQCWBFR-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170294;MM170294;CC#CC=CC(=N)NO;MXRQIVSCFNTSRW-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170295;MM170295;COC(C)CC(=O)NN;CDUFTSSHOUKBTF-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170296;MM170296;CC#CC=CC(=O)NO;JQIOAQYEGKOVQP-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170297;MM170297;C=C(C=CC#CC)OC;HLCATAAWZYSMHZ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170298;MM170298;C=CC(=C)C=CC#CC;GJMGSIDSPAKPQO-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170299;MM170299;C=C(C=O)C=CC#CC;KFDZHUCXKHQZRR-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170300;MM170300;C=C(C#N)C=CC#CC;HNFAMWPTEWUDSR-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170301;MM170301;C=CC(=O)C=CC#CC;JAIQRJDSYXOPLC-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170302;MM170302;CC#CC=CC(=O)C=O;NEXIQNDHDGLXGD-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170303;MM170303;CC#CC=CC(=O)C#N;WNTIOIPICPSRQR-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170304;MM170304;C#CC(=C)C=CC#CC;VULXQVQULUYWQB-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170305;MM170305;C#CC(=O)C=CC#CC;RVKRFZNPVWLGFH-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170306;MM170306;CC=C(C)C=CCCC;VBQDLGRIXYIZDT-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170307;MM170307;CC=C(C)C=CCCN;ZWKXIJBNEUSLFI-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170308;MM170308;CCNNC(=O)NCC;IDQPQWCOWBXEGB-UHFFFAOYSA-N;131.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170309;MM170309;CC=C(C)C=CCCF;PSHKTAGESKQGOL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170310;MM170310;CCCC=CC(C)=CF;WGUDILNJAAYANP-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170311;MM170311;COC(C)CNNC=O;QFHKAISVAWKGMU-UHFFFAOYSA-N;132.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170312;MM170312;CC(C=CCCF)=CF;PNWIFTIPJDETOB-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170313;MM170313;CC=C(F)C=CCCC;NSJKXZKCUUEPPT-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170314;MM170314;CC=C(F)C=CCCN;BDQIPUGUGHJNSL-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170315;MM170315;CC=C(F)C=CCCF;KXAMATJFXMJWAI-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170316;MM170316;CCCC=CC(F)=CF;QYHYZOXSYSKJDD-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170317;MM170317;CC=C(F)C=CCNC;UWGDKHWSHNAWQP-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170318;MM170318;CNCC=CC(F)=CF;LVPHYHULEPMELO-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170319;MM170319;CC=C(C)C=CCOC;XKSWBVKJHUMOSE-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170320;MM170320;COCC=CC(C)=CF;UYJOWSOMWZADTI-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170321;MM170321;CCCC=CC(C)=NN;JDMDVQLSESFLMD-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170322;MM170322;CCOCCC(=O)NN;NMNHXPQJISZDMF-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170323;MM170323;C#CCC=CC(=O)NN;KPHRHCMURVKYDA-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170324;MM170324;C#Cc1nc(=N)n(O)o1;WIMDDYUTDSBCQS-UHFFFAOYSA-N;125.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170325;MM170325;CNCC=CC(C)=NO;JIMSJTRFNXVWOF-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170326;MM170326;COCC=CC(C)=NN;FNYKGGZHVDWTNF-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170327;MM170327;COCC=CC(C)=NO;CFOBTCKGXLQPFP-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170328;MM170328;CCN=CC=C(C)NN;VIANPKJDJXYUMY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170329;MM170329;CCN=CC=C(C)NO;TWQPNUKURMDDBZ-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170330;MM170330;CC=C(C)C=COCC;GNHOQRIGPZNSKR-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170331;MM170331;CCOC=CC(C)=CF;MHZQPZHHOMEPLT-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170332;MM170332;CC=C(F)C=COCC;JIJKZVPXAVZHFE-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170333;MM170333;CCOC=CC(F)=CF;RTIGFTUKJZSKME-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170334;MM170334;CCOC=CC(C)=NN;IFDULJONISRZEG-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170335;MM170335;CCOC=CC(C)=NO;OASAURGDGIVITN-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170336;MM170336;CC=C(C)C=NNCC;MGAGVVUKMAZKGD-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170337;MM170337;CCNN=CC(F)=CF;WAKHMORDJWEQCH-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170338;MM170338;CC=C(C)C=NOCC;NPQYWVHYJKELDS-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170339;MM170339;CCON=CC(C)=CF;NTYVAQKBNKRFEY-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170340;MM170340;CC=C(F)C=NOCC;OVBXRFWVZQEVRV-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170341;MM170341;CCON=CC(F)=CN;UIPWQIQFFGWMBB-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170342;MM170342;CCON=CC(F)=CF;WJNPLUDFVPDZJA-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170343;MM170343;C#CC(O)C1NC1C=C;NIAVPXPIFDGPPJ-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170344;MM170344;C=CCC=CC(C)=CC;QDVKJEJSENWPRG-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170345;MM170345;CC=C(C)C=CCC=O;CFKZHQDFTNCXIF-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170346;MM170346;CC=C(C)C=CCC#N;XNINTGHEEHZECO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170347;MM170347;CC(C=CCC#N)=CF;ROORVHYOVIRBPQ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170348;MM170348;C=CCC=CC(F)=CC;CYMLPIIDPRAECI-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170349;MM170349;CC=C(F)C=CCC=O;KMWCOKURQIDEBJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170350;MM170350;CC=C(F)C=CCC#N;OULBKAATVNKRDD-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170351;MM170351;C=CCC=CC(F)=CF;VOQLLEQTRYMAIA-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170352;MM170352;N#CCC=CC(F)=CF;KBUGUOCMCDOMIH-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170353;MM170353;C#CC(O)C1NC1C=O;SLOHYGSUNKPORX-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170354;MM170354;CC(C=CCC=O)=NO;BXLKEFVHNJBGAZ-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170355;MM170355;CC(C=CCC#N)=NO;ILUFWHHGPOPXND-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170356;MM170356;CC=C(C)C=CNC=N;YKNUSTOZDIXMGV-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170357;MM170357;CC=C(C)C=CNC=O;VQGJGNQLGJVIFI-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170358;MM170358;CC=C(F)C=CNC=O;PVFZZGAUPGYOAX-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170359;MM170359;O=CNC=CC(F)=CF;QDSQNTIYBHXDRM-UHFFFAOYSA-N;133.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170360;MM170360;CC(C=CNC=N)=NN;WDJVBNGGNGOUCH-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170361;MM170361;CCOCCNNC=O;CGNQRIPYIVGXPY-UHFFFAOYSA-N;132.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170362;MM170362;CC(C=CNC=N)=NO;GXOAHXLTERQHSO-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170363;MM170363;CC(C=CNC=O)=NO;XXGFQWFPSVHVSY-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170364;MM170364;C=COC=CC(C)=CC;DRQFXKYWGSYXCV-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170365;MM170365;CC=C(C)C=COC=O;GFVJBRZQZRWBRY-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170366;MM170366;C=COC=CC(C)=CF;RGWSQDFJAVWWMW-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170367;MM170367;CC(C=COC=O)=CF;UJAJESPGEKHNBD-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170368;MM170368;C=COC=CC(F)=CC;XTLLRUZVFSUJMY-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170369;MM170369;CC=C(F)C=COC=O;XWGFKBIDURHTRD-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170370;MM170370;C=COC=CC(F)=CF;QHXZUKCZQACRRV-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170371;MM170371;O=COC=CC(F)=CF;YLPXPIKXMNRMEE-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170372;MM170372;C=COC=CC(C)=NN;BMIGVLHNSBDUGZ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170373;MM170373;C=COC=CC(C)=NO;JSZCANSMDOOPLP-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170374;MM170374;C=CN(N)C(=O)C1CO1;NVFPAADANVVCRL-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170375;MM170375;C#CC(O)C1N(C)C1(C)C;BMIXFIQCIBLJIW-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170376;MM170376;CC=C(F)C=NNC=O;AIEJDQIDTSAGEH-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170377;MM170377;NC=C(F)C=NNC=O;NJAOSZNBWOAPSX-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170378;MM170378;O=CNN=CC(F)=CF;YKYLLJSTXPMHMW-UHFFFAOYSA-N;134.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170379;MM170379;CC(C=NNC=O)=NO;YOBFXSBXUVWNTL-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170380;MM170380;CC=C(C)C=NOC=O;HUPGTIKFIGMWGZ-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170381;MM170381;CC(C=NOC=O)=CF;CXHKHCZPJISWFL-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170382;MM170382;CC=C(F)C=NOC=O;LNEZIAAMZRDXMX-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170383;MM170383;O=CON=CC(F)=CF;GSRQKVMCSGWARR-UHFFFAOYSA-N;135.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170384;MM170384;C#CCC=CC(C)=CC;RWKPIRNIDMRVKH-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170385;MM170385;C#CCC=CC(C)=CF;OIOANDDMKALTOH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170386;MM170386;C#CCC=CC(F)=CC;DMQSRJLFPMXUEV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170387;MM170387;C#CCC=CC(F)=CF;ZJSDTYWOSNDGJH-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170388;MM170388;C#CCC=CC(C)=NN;YLXILHUXOPBLMT-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170389;MM170389;CC=CC=CC(C)=CC;IRXHAHOGXPHEDR-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170390;MM170390;CC=C(C)C=CC=CF;NDLLXYFWKCQUFK-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170391;MM170391;CC=CC=CC(C)=CF;KJYAUGFJKFJEAM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170392;MM170392;CC(C=CC=CF)=CF;MPXUSFJNDXDEAV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170393;MM170393;CC=C(F)C=CC=CF;WZPBEHPENCFTSQ-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170394;MM170394;CC=CC=CC(F)=CF;NCGDRZVZHWKYHO-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170395;MM170395;FC=CC=CC(F)=CF;DBTQIKAJNZQODK-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170396;MM170396;CC=C(C)C=CC=NN;PXEKOTMNSGRDNW-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170397;MM170397;CCC(C)OC(=O)NNC;ZVIAIZRGHMHARA-UHFFFAOYSA-N;146.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170398;MM170398;CC(C=CC=NN)=CF;VDAFPPPLJGAAGG-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170399;MM170399;CC(C=CC=NO)=CF;DBAUCXZQZCSWJD-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170400;MM170400;CC=C(F)C=CC=NN;OCYNJSGXRGBPCG-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170401;MM170401;CC=C(F)C=CC=NO;OCVMSWVKOVZQKV-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170402;MM170402;NN=CC=CC(F)=CF;MGFBCOJZYKKYII-UHFFFAOYSA-N;132.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170403;MM170403;ON=CC=CC(F)=CF;IHNYESQOJSMHHO-UHFFFAOYSA-N;133.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170404;MM170404;CC=CC=CC(C)=NN;JCYQWWOWAPZOAX-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170405;MM170405;CC(C=CC=CF)=NN;MSHQJMPSIZMQTQ-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170406;MM170406;C=NNC(C)CNNC=O;PDTIJYQCTGINGQ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170407;MM170407;CC(C=CC=CF)=NO;RXVHVPQGVGZVPB-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170408;MM170408;CC=NN=CC(C)=CC;IFCYLOAINHDUKF-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170409;MM170409;CC=NN=CC(C)=CN;AUODBLCMHPOSDM-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170410;MM170410;CC=NN=CC(C)=CF;DRRFORZKIIPCSA-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170411;MM170411;CC=NN=CC(F)=CC;NRIWEXFMWMVZGZ-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170412;MM170412;CC=NN=CC(F)=CN;FPRMHOUNSTUXEB-UHFFFAOYSA-N;129.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170413;MM170413;CC=NN=CC(C)=NO;CXCMZYIXYFIZSI-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170414;MM170414;CC#CC=CC(C)=CC;ISAMHLGJSNYSSM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170415;MM170415;CC#CC=CC(C)=CF;ZXBUVNYYLCGSCL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170416;MM170416;CC#CC=CC(F)=CC;PIDLVFPTRVOQQG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170417;MM170417;CC#CC=CC(C)=NN;OPKLXFASDNKOBE-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170418;MM170418;CC#CC=CC(C)=NO;GXWOBCPKIMNEIW-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170419;MM170419;CCCC#CC(C)CC;RSDUDJRVFWBQMM-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170420;MM170420;CCC(C)C#CCCN;XUSZVVDSPFBUPS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170421;MM170421;CCC(C)C#CCCF;WFCIOJXEPPCDSA-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170422;MM170422;CCCC#CC(C)CN;KSWIAMCOOWGEKY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170423;MM170423;CC(C#CCCF)CN;SREKEXAMFVNUKD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170424;MM170424;CCCC#CC(C)CO;JJSJVFUOLIAQER-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170425;MM170425;CC(C#CCCF)CO;CKZZZTPYKCYDEJ-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170426;MM170426;CCCC#CC(C)CF;BVWCXUOIAYDDQH-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170427;MM170427;CC(C#CCCF)CF;TTZKYYLXBJBPRF-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170428;MM170428;CCCC#CC(N)CC;CVALTVVDODUHFI-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170429;MM170429;CCC(N)C#CCCF;MBGBKNBOEGYTLT-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170430;MM170430;NCCC#CC(N)CN;KOJXNSQBCRUTHW-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170431;MM170431;NCC(N)C#CCCO;KWUPJUKSOGSSFO-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170432;MM170432;NCCC#CC(N)CO;FSBHRJGSWHRSPL-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170433;MM170433;NC(C#CCCO)CO;QZOCIHHWMKTXOG-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170434;MM170434;CCCC#CC(O)CC;IYTPLTLHQFCOJN-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170435;MM170435;CCC(O)C#CCCF;WZAPMIYEDHBUCO-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170436;MM170436;CCCC#CC(O)CN;UVMUSJMIGDSMJL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170437;MM170437;NCCC#CC(O)CN;ICRJKZRQPOXXNA-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170438;MM170438;NCC(O)C#CCCO;QXOQZDLFVPWLTC-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170439;MM170439;NCCC#CC(O)CO;OQIYUTAZQQFYHJ-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170440;MM170440;OCCC#CC(O)CO;SYSZNIURNXBWKH-UHFFFAOYSA-N;130.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170441;MM170441;CCCC#CC(O)CF;SAGMTYYJWXNOSW-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170442;MM170442;CCCC#CC(F)CC;JYAKTFXGWJZPTN-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170443;MM170443;CCC(F)C#CCCN;QBEVZDHBZZRMKA-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170444;MM170444;CCC(F)C#CCCF;XRQGYGXWGBTRPV-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170445;MM170445;CCCC#CC(F)CN;YMYSUVAAPKELRK-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170446;MM170446;CCCC#CC(F)CO;IFINFTMGKURDEJ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170447;MM170447;CCCC#CC(F)CF;PNBXHORQJROPPU-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170448;MM170448;CCC(C)C#CCNC;HYQSKYIRVQPXCR-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170449;MM170449;CNCC#CC(C)CN;YZZBKQXDDPPOLV-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170450;MM170450;CNCC#CC(C)CF;XZLOKMACCCZJSX-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170451;MM170451;CCC(N)C#CCNC;XHPQDAHZRJTQNX-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170452;MM170452;CNCC#CC(N)CN;AJRVNMLKGJHCNF-UHFFFAOYSA-N;127.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170453;MM170453;CNCC#CC(N)CO;KXCKNFACKWQLNJ-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170454;MM170454;CNCC#CC(O)CO;SECMLWCEMZQVRW-UHFFFAOYSA-N;129.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170455;MM170455;CCC(F)C#CCNC;YXILYHAMBYQJFR-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170456;MM170456;CNCC#CC(F)CN;JYZBVRKFMTXETC-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170457;MM170457;CNCC#CC(F)CF;JCFZRROIKUJXEN-UHFFFAOYSA-N;133.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170458;MM170458;CCC(C)C#CCOC;JXECDYSYQNJSMO-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170459;MM170459;COCC#CC(C)CO;JZTPJZJAKOFUNU-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170460;MM170460;CCC(N)C#CCOC;MVOOJXIWOCDBCH-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170461;MM170461;COCC#CC(N)CN;GEFYRKWDQPGTMO-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170462;MM170462;COCC#CC(N)CO;YWTDMUPOAHUSGR-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170463;MM170463;CCC(O)C#CCOC;PXICQIDWYBUZLX-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170464;MM170464;COCC#CC(O)CN;YDSQIBNYCOUMJF-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170465;MM170465;COCC#CC(O)CO;KIAXFNCNBKCJGI-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170466;MM170466;COCC#CC(O)CF;GLFIMAQFTKSDFI-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170467;MM170467;CCC(F)C#CCOC;GJUQUSSSESMDLG-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170468;MM170468;COCC#CC(F)CO;XTSWPPDNNCJXCW-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170469;MM170469;CCCC#CC(C)NC;SEVVTIWZWRDPRD-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170470;MM170470;CNC(C)C#CCCF;HDLGMFMCGPIOJX-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170471;MM170471;CCCC#CC(C)OC;NGDDMWRKVOMWMC-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170472;MM170472;COC(C)C#CCCF;HSWWVTIRFQMWQZ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170473;MM170473;COCC#CC(C)OC;HAUSUDOIMZTVFN-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170474;MM170474;C=CCC#CC(C)CC;ZBTQOIATJFDDMY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170475;MM170475;CCC(C)C#CCC=O;NHBAVLXVGAPRGL-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170476;MM170476;CCC(C)C#CCC#N;YPAIIWKPTCWUJU-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170477;MM170477;C=CCC#CC(C)CN;JMOTWXSQNAEASZ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170478;MM170478;C=CCC#CC(C)CO;FGBZTDKCKIQCTM-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170479;MM170479;C=CCC#CC(C)CF;OUDFMLFWMGWGIK-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170480;MM170480;CC(C#CCC=O)CF;LWSGWZWOVKZDTL-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170481;MM170481;CC(C#CCC#N)CF;PVYSEOBOFVJIDM-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170482;MM170482;C=CCC#CC(N)CC;GZFVHQWQEYLHBD-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170483;MM170483;C=CCC#CC(O)CC;PDQRZPDOTXUERO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170484;MM170484;CCC(O)C#CCC=O;KZUZZSBYMAJMHZ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170485;MM170485;CCC(O)C#CCC#N;VQPRQSGYCRLART-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170486;MM170486;C=CCC#CC(O)CN;BFEISAZTBLUVCY-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170487;MM170487;O=CCC#CC(O)CO;VXFNGEGMDCTXFJ-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170488;MM170488;N#CCC#CC(O)CO;KDIMYZFBRDGJLM-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170489;MM170489;C=CCC#CC(O)CF;XTOVXHOQYJBRTE-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170490;MM170490;N#CCC#CC(O)CF;NBLIHWLZXRPEOR-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170491;MM170491;C=CCC#CC(F)CC;OKCWNCUSNDFXCA-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170492;MM170492;CCC(F)C#CCC=O;KCVLKMNKMVWGFY-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170493;MM170493;CCC(F)C#CCC#N;SNBKSSGQELQMQZ-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170494;MM170494;C=CCC#CC(F)CN;INQMUPOQKDPSER-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170495;MM170495;O=CCC#CC(F)CO;UFZXSRIGFMMJIU-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170496;MM170496;N#CCC#CC(F)CO;LYKOKYWQGFLFFI-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170497;MM170497;C=CCC#CC(F)CF;XOZNAKWWIHJQCR-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170498;MM170498;O=CCC#CC(F)CF;APGGZVXZUYKJOE-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170499;MM170499;N#CCC#CC(F)CF;BPGYYPSJGRRCND-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170500;MM170500;C=CCC#CC(C)OC;RQAAQUHUSTYRLR-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170501;MM170501;COC(C)C#CCC=O;XYKQQRBBRBMODR-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170502;MM170502;COC(C)C#CCC#N;WVOXVXHUNWBPEE-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170503;MM170503;C#CCC#CC(C)CC;HVWGRRFLAAPOPD-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170504;MM170504;C#CCC#CC(C)CN;QRXVWYAFJQZWJG-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170505;MM170505;C#CCC#CC(C)CO;HUXGJUVGPPBPRV-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170506;MM170506;C#CCC#CC(C)CF;LMJHJHNSYKVQMI-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170507;MM170507;C#CCC#CC(N)CC;IRZFXUHABBMQAW-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170508;MM170508;C#CCC#CC(N)CN;ONTWWXIPGVEMFV-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170509;MM170509;C#CCC#CC(O)CC;RWSUIJZSEKSFKU-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170510;MM170510;C#CCC#CC(O)CF;TXLCDDGAXOSKFL-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170511;MM170511;C#CCC#CC(F)CC;WNAPBZYFYWNWBG-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170512;MM170512;C#CCC#CC(F)CN;RDACWUZSIDFILH-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170513;MM170513;C#CCC#CC(F)CO;GJULHCORCDFBAZ-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170514;MM170514;C#CCC#CC(F)CF;GSJTVUYYWRGUAI-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170515;MM170515;C#CCC#CC(C)NC;IJGNNHRRACRTKM-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170516;MM170516;C#CCC#CC(C)OC;KWGOLRAWTFDNRT-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170517;MM170517;C=CC(C)C#CCCC;XYBHOEYVHKSLMY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170518;MM170518;C=CC(C)C#CCCN;TYCAXVRMVBCTRD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170519;MM170519;C=CC(C)C#CCCF;MHONKMWNQKDNGI-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170520;MM170520;CCCC#CC(C)C=O;CHYDABJBCZHOKQ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170521;MM170521;CCCC#CC(C)C#N;UZLVLUCRVFCWRT-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170522;MM170522;CC(C#N)C#CCCO;RCASBZGMZOBQBI-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170523;MM170523;CC(C#CCCF)C=O;NRVRBNQSUXKFCP-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170524;MM170524;C=CC(N)C#CCCC;ZTUMRMDVBCMPIY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170525;MM170525;C=CC(O)C#CCCC;HAXAENKRKKBNHB-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170526;MM170526;C=CC(O)C#CCCF;UNOHLDPLIGDICB-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170527;MM170527;CCCC#CC(O)C=O;YMJQWEGGDSTDEA-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170528;MM170528;CCCC#CC(O)C#N;OFUVNDIIZKZBAZ-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170529;MM170529;O=CC(O)C#CCCO;CJASIMAZYYCSSU-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170530;MM170530;N#CC(O)C#CCCO;QZYXXPIZRMBOKO-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170531;MM170531;O=CC(O)C#CCCF;IQZATOXZHVPRHJ-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170532;MM170532;C=CC(F)C#CCCC;QYCIZRDGONZXGN-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170533;MM170533;C=CC(F)C#CCCN;ZGAVXGLPYCJZOH-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170534;MM170534;C=CC(F)C#CCCO;NTXVVHZKGZUJBK-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170535;MM170535;CCCC#CC(F)C=O;NUYSWIKDMHPRRH-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170536;MM170536;CCCC#CC(F)C#N;FENHUFXAOVAAND-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170537;MM170537;CNCC#CC(C)C=O;WGIJBBAWVVRJOB-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170538;MM170538;C=CC(O)C#CCNC;FXDOKMNXLJNSDY-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170539;MM170539;CNCC#CC(O)C=O;ONHMDUDYCIUWGX-UHFFFAOYSA-N;127.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170540;MM170540;CNCC#CC(O)C#N;RXBMDPYOYHCRJZ-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170541;MM170541;C=CC(C)C#CCOC;PIQRDNPYTXHIEJ-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170542;MM170542;COCC#CC(C)C=O;BWDYGWCNVKYQRZ-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170543;MM170543;COCC#CC(C)C#N;MBOFGDMMJHNIKS-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170544;MM170544;C=CC(O)C#CCOC;JFQDWOUQJNNXNG-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170545;MM170545;COCC#CC(O)C=O;INDMCRNSOBXFMI-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170546;MM170546;COCC#CC(O)C#N;SBXYQESYIDWYSO-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170547;MM170547;C=CC(F)C#CCOC;UNTBKFMMYVSTGL-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170548;MM170548;COCC#CC(F)C#N;YWGQCZQMUIURDF-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170549;MM170549;C=CCC#CC(C)C=C;WXUVILOFVWIQNE-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170550;MM170550;C=CC(C)C#CCC=O;VPSIIRFPOCDENQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170551;MM170551;C=CC(C)C#CCC#N;KLEZMUGTXOXIBZ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170552;MM170552;C=CCC#CC(C)C=O;BBCUCIZEXNUCSF-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170553;MM170553;CC(C#CCC=O)C=O;SMNVODDDLBYTFF-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170554;MM170554;CC(C#N)C#CCC=O;SOXYMPKGYOTCIH-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170555;MM170555;CC(C#CCC#N)C=O;PJFQVFAKBALXSR-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170556;MM170556;C=CCC#CC(N)C=C;RFPDOLPMWAYJHM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170557;MM170557;C=CCC#CC(O)C=C;AGKPMEPJOURQHB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170558;MM170558;C=CC(O)C#CCC=O;AYQZNURZDJRFOU-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170559;MM170559;C=CCC#CC(O)C=O;LAKOCXHHHGQKJO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170560;MM170560;O=CCC#CC(O)C=O;RYTUCFGBEMIZOL-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170561;MM170561;C=CCC#CC(F)C=C;STQQKXRFPKCMSE-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170562;MM170562;C=CC(F)C#CCC=O;VHRVUKPBDPNFNO-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170563;MM170563;C=CC(F)C#CCC#N;QSQXDMUCOBSKJH-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170564;MM170564;C=CCC#CC(F)C=O;GVMNDMNWIXGLRX-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170565;MM170565;C=CCC#CC(F)C#N;JMLVEZBWMGPWPK-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170566;MM170566;O=CCC#CC(F)C=O;NXDTWZUVRPCLSD-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170567;MM170567;N#CC(F)C#CCC=O;AHZJAUNJBXCTGF-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170568;MM170568;N#CCC#CC(F)C#N;BJAOFALHHAWJMG-UHFFFAOYSA-N;122.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170569;MM170569;C#CCC#CC(C)C=C;YVXPSMSGBWLFOH-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170570;MM170570;C#CCC#CC(C)C=O;DXNRXQIWRPALJO-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170571;MM170571;C#CCC#CC(C)C#N;PYMMDASCKGZKQJ-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170572;MM170572;C#CCC#CC(N)C=C;MJQNOJQCYFLNRV-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170573;MM170573;C#CCC#CC(O)C=C;WIEQZPJPYBOCPZ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170574;MM170574;C#CCC#CC(F)C=C;MKOHNGJHGSVGCN-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170575;MM170575;C#CCC#CC(F)C=O;IIKIDRCBBKQFCE-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170576;MM170576;C#CCC#CC(F)C#N;MONFSVDOYIKPRG-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170577;MM170577;C#CC(C)C#CCCC;FNQALKOYTHNLGU-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170578;MM170578;C#CC(C)C#CCCN;XOXVTPHQNNQZFD-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170579;MM170579;C#CC(C)C#CCCO;RHBHLKUWSWVNFP-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170580;MM170580;C#CC(C)C#CCCF;QXTUABFKZSHXET-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170581;MM170581;C#CC(N)C#CCCN;QSTVQWDBGGBFIX-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170582;MM170582;C#CC(O)C#CCCC;LKHFKHXXEXMKFS-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170583;MM170583;C#CC(O)C#CCCO;QKNLEQBHXWTQNU-UHFFFAOYSA-N;124.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170584;MM170584;C#CC(F)C#CCCC;DEDILEHRWUPARJ-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170585;MM170585;C#CC(F)C#CCCN;PEJGTJRYDWMWJH-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170586;MM170586;C#CC(F)C#CCCO;UPJNIXAYSHTVKH-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170587;MM170587;C#CC(F)C#CCCF;XLRPAJWZQNFHQG-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170588;MM170588;C#CC(C)C#CCNC;CZMQHKANVPDYCQ-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170589;MM170589;C#CC(F)C#CCNC;JXQXJEQYQXSPPG-UHFFFAOYSA-N;125.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170590;MM170590;C#CC(C)C#CCOC;QXBDXJBRGISPOP-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170591;MM170591;C#CC(F)C#CCOC;INZMZSDHKFJWTM-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170592;MM170592;C#CC(C)C#CCC=C;WFLYCPNXUAVQEW-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170593;MM170593;C#CC(C)C#CCC=O;GHYBLLPJIWMEAW-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170594;MM170594;C#CC(C)C#CCC#N;BUHFUUGYFSSJJS-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170595;MM170595;C#CC(O)C#CCC=C;VAXPFKKNVWMMQQ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170596;MM170596;C#CC(F)C#CCC=C;FGRCYBJUTKQWHI-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170597;MM170597;C#CC(F)C#CCC=O;VCDHQDHCUPOYNT-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170598;MM170598;C#CC(F)C#CCC#N;WMEKVNGHGOXMLO-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170599;MM170599;C#CCC#CC(C)C#C;BBJOGLNQKDDVEN-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170600;MM170600;C#CCC#CC(O)C#C;TWMHMAOXNFQXMX-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170601;MM170601;C#CCC#CC(F)C#C;FHXWPAMGMVHXET-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170602;MM170602;C=C(C#CCCC)CC;OGQKOQZQQLJBTI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170603;MM170603;C=C(C#CCCF)CC;MAKHGOBMNLYQIR-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170604;MM170604;C=C(C#CCCC)CN;WFRFVQYBUWTKBY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170605;MM170605;C=C(C#CCCC)CO;XCYPMASEIZIFSK-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170606;MM170606;C=C(C#CCCF)CO;BHTKYCTXMPSIGU-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170607;MM170607;C=C(C#CCCC)CF;MVLYULZSMACPKR-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170608;MM170608;C=C(C#CCCN)CF;HRFKNSOABVWKQL-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170609;MM170609;C=C(C#CCCO)CF;RXNKGYBNHFTJRY-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170610;MM170610;C=C(C#CCCF)CF;HLVGDCBOZYLYEV-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170611;MM170611;CCCC#CC(=O)CC;FHMWCQNNAIHYRU-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170612;MM170612;CCC(=O)C#CCCO;YVXYIXRYMWKKJJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170613;MM170613;CCC(=O)C#CCCF;IOPNNAMCLXDMGM-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170614;MM170614;O=C(C#CCCO)CO;LENDWVGWPBIUSN-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170615;MM170615;CCCC#CC(=O)CF;JGKZALIDKDZASZ-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170616;MM170616;C=C(C#CCNC)CC;ASOLJWUIMNJJPL-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170617;MM170617;C=C(C#CCNC)CO;QBPXNFMEVOPGJC-UHFFFAOYSA-N;125.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170618;MM170618;CNCC#CC(=O)CO;HLEIOLMNBPWDDW-UHFFFAOYSA-N;127.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170619;MM170619;C=C(C#CCOC)CC;VWLNVEILFTXKQB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170620;MM170620;C=C(C#CCOC)CN;JIEQJWPXLBZSIU-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170621;MM170621;C=C(C#CCOC)CF;KPWMHESJSWRDSC-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170622;MM170622;CCC(=O)C#CCOC;BPXSCHMTNRRQCS-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170623;MM170623;COCC#CC(=O)CO;PNFUTSMBPXSARF-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170624;MM170624;CCCC#CC(=N)NC;IKZAILFDKLPVIN-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170625;MM170625;CNC(=N)C#CCCN;SPFHTCRAZNYLOS-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170626;MM170626;CNC(=N)C#CCCO;BMCLBDDYJUSIPX-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170627;MM170627;CCCC#CC(=N)NN;AGECNLMIHLQGRH-UHFFFAOYSA-N;125.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170628;MM170628;N=C(C#CCCO)NN;PTXKVZUGQZCTFZ-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170629;MM170629;N=C(C#CCCN)NO;IWHPNTAPXHKZNO-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170630;MM170630;CCCC#CC(=O)NC;CRSIKWZBLCIECX-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170631;MM170631;CNC(=O)C#CCCN;VDSIAPZRHRZRKF-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170632;MM170632;CNC(=O)C#CCCO;ASFYYGLMHQXIBR-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170633;MM170633;CCCC#CC(=O)NN;XKMRHIQZAUITJF-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170634;MM170634;NNC(=O)C#CCCO;MGZQCDQXFHLGBP-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170635;MM170635;CCCC#CC(=O)NO;IELMBKWYTIRSDR-UHFFFAOYSA-N;127.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170636;MM170636;NCCC#CC(=O)NO;YKGKGEUPFYXYOB-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170637;MM170637;O=C(C#CCCO)NO;ZAQFZCGHEZITQO-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170638;MM170638;CNCC#CC(=N)NC;XSXKJNUTTXSOJG-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170639;MM170639;CNCC#CC(=N)NN;VIVBYGZTOLPPHH-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170640;MM170640;CNCC#CC(=O)NN;GCEMRKGYGICFQU-UHFFFAOYSA-N;127.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170641;MM170641;C=C(C#CCCC)OC;UIBNMAJYRALIDH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170642;MM170642;C=C(C#CCCO)OC;QSMQBKHKWSEIQU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170643;MM170643;CCCC#CC(=O)OC;DHZPZBFOJDXEHS-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170644;MM170644;C=C(C#CCOC)OC;BQAVSRNBDWNLAC-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170645;MM170645;C=CCC#CC(=C)CC;KTGHVUUENHAVIR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170646;MM170646;C=C(C#CCC=O)CC;LODSTSMOTTWTQN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170647;MM170647;C=C(C#CCC#N)CC;PDFUJMRZTUYFQS-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170648;MM170648;C=CCC#CC(=C)CN;AMJSUARKDJGWMB-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170649;MM170649;C=CCC#CC(=C)CO;YVGNRIRNKABSBU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170650;MM170650;C=CCC#CC(=C)CF;NHRIZQKVUYJGSI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170651;MM170651;C=C(C#CCC=O)CF;KAUBKIMHSGSFSQ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170652;MM170652;C=C(C#CCC#N)CF;FHENWJMUUXOFHN-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170653;MM170653;C=CCC#CC(=O)CC;MUHRXFVSCLPXBG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170654;MM170654;CCC(=O)C#CCC=O;YYGJSBZABYDTOM-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170655;MM170655;CCC(=O)C#CCC#N;AWAXCQDGIUSQSS-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170656;MM170656;C=CCC#CC(=O)CF;PLOFGITUBZTFTI-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170657;MM170657;O=CCC#CC(=O)CF;DWJWFYIBRSSIOE-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170658;MM170658;N#CCC#CC(=O)CF;SKCMUKRSWQUNTA-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170659;MM170659;CC=CCNC(=O)NNC;RTPPRFIOEZJPBG-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170660;MM170660;C=CCC#CC(=C)OC;UPHUJNXIZFFVFQ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170661;MM170661;C=C(C#CCC=O)OC;HXZJFKCICXCTQF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170662;MM170662;C=C(C#CCC#N)OC;SJMTUZKBEASFPX-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170663;MM170663;C=CCC#CC(=O)OC;KADSBOUMPXQBIG-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170664;MM170664;COC(=O)C#CCC#N;OZHZFGDXPKFAOS-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170665;MM170665;C#CCC#CC(=C)CC;YWRHTQAVYGDGPK-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170666;MM170666;C#CCC#CC(=C)CO;XCGFDAHIFJCWSR-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170667;MM170667;C#CCC#CC(=C)CF;OANXPGXWXRMSKF-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170668;MM170668;C#CCC#CC(=O)CC;DMJMKGKFXYEPCJ-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170669;MM170669;C#CCC#CC(=O)CF;GIJXYJOYAQXVNS-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170670;MM170670;C#CCC#CC(=N)NC;VHGAVSPJUCDMNA-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170671;MM170671;C#CCC#CC(=O)NC;WDTUYZUUJFUFMT-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170672;MM170672;C#CCC#CC(=O)NN;NLFONWSCRRSFDQ-UHFFFAOYSA-N;122.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170673;MM170673;C#CCC#CC(=O)NO;UKBXEWVCMXQJPV-UHFFFAOYSA-N;123.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170674;MM170674;C#CCC#CC(=C)OC;CKVLASAMTIKNGJ-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170675;MM170675;C=CC(=C)C#CCCC;LFTPQFXYOOPQEX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170676;MM170676;C=CC(=C)C#CCCN;IDSOLNVSEGBESM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170677;MM170677;C=CC(=C)C#CCCF;YJADTZOWKONLGF-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170678;MM170678;C=C(C#CCCC)C=O;PYWMVFOBVBHVBK-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170679;MM170679;C=C(C#N)C#CCCC;VBOKNBLCOSELRZ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170680;MM170680;C=C(C#N)C#CCCO;RNGYADOCBIYBCP-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170681;MM170681;C=C(C#CCCF)C=O;WYNDTFVHWIXUQJ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170682;MM170682;C=C(C#N)C#CCCF;KWEQFLAGZYQIBQ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170683;MM170683;C=CC(=O)C#CCCC;OJZSUIOMFDHZCC-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170684;MM170684;C=CC(=O)C#CCCF;TXCVOMYPMUDPBC-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170685;MM170685;CCCC#CC(=O)C=O;CBHSBVGQKOKHFV-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170686;MM170686;CCCC#CC(=O)C#N;BRALBVDQLKFFSE-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170687;MM170687;O=CC(=O)C#CCCF;VNHAUJHBYRVJAH-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170688;MM170688;C=CC(=C)C#CCNC;QTLTUQWELSNIBK-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170689;MM170689;C=CC(=O)C#CCNC;MCEBHLOTSHDOHS-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170690;MM170690;C=CC(=C)C#CCOC;BVDWGIHLZSASIU-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170691;MM170691;C=C(C#CCOC)C=O;SHUZZQHMIRUIPE-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170692;MM170692;C=C(C#N)C#CCOC;GGFPJCDXRCGYFF-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170693;MM170693;C=CCC#CC(=C)C=C;SHUFPKIHOSOKKE-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170694;MM170694;C=CC(=C)C#CCC#N;MUBIDAQOZPLXKZ-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170695;MM170695;C=CCC#CC(=C)C=O;VHBUZFXSAZLREW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170696;MM170696;C=CCC#CC(=C)C#N;ALYPBOJOQVLLJE-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170697;MM170697;C=C(C#CCC#N)C=O;VSPDXAYCQPOZLK-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170698;MM170698;C=C(C#N)C#CCC#N;HGBZPXARJYWXOZ-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170699;MM170699;C=CCC#CC(=O)C=C;FRNJLMCBQJTJHQ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170700;MM170700;C=CC(=O)C#CCC=O;RJJQZIYVGKRTIZ-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170701;MM170701;C=CCC#CC(=O)C=O;LNWVJBLWWLVBSG-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170702;MM170702;C=CCC#CC(=O)C#N;HDSQPNUXIVNDBN-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170703;MM170703;O=CCC#CC(=O)C=O;BKJAOGJPNDXAON-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170704;MM170704;N#CC(=O)C#CCC=O;MKJQQBVYIGPEQK-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170705;MM170705;C#CCC#CC(=C)C=C;JOFPQMRRWLAAIR-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170706;MM170706;C#CCC#CC(=C)C=O;UDZXBNLGRNURQS-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170707;MM170707;C#CCC#CC(=C)C#N;CPAYIESQEKBPRU-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170708;MM170708;C#CCC#CC(=O)C=C;ISCYHFIVGMYIAX-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170709;MM170709;C#CCC#CC(=O)C=O;NJARLTFEKPOIDX-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170710;MM170710;C#CCC#CC(=O)C#N;XQNWQGHTXTVNSP-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170711;MM170711;C#CC(=C)C#CCCC;HZGGIUMLOBSSSA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170712;MM170712;C#CC(=C)C#CCCN;XYMUNKMJKCGODP-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170713;MM170713;C#CC(=C)C#CCCO;OYPUFQMGTMXVBI-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170714;MM170714;C#CC(=C)C#CCCF;SINSYPNCQULQGB-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170715;MM170715;C#CC(=O)C#CCCC;YLQBZQPMQIPJLB-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170716;MM170716;C#CC(=O)C#CCCO;CDLAMRMABWIBOI-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170717;MM170717;C#CC(=C)C#CCNC;VQRXCDHWYOLIST-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170718;MM170718;C#CC(=C)C#CCOC;XMKMNOAJCZEZDQ-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170719;MM170719;C#CC(=C)C#CCC=C;FDTJVJAAUCMFMX-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170720;MM170720;C#CC(=C)C#CCC=O;WEUFATCPEKYQEL-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170721;MM170721;C#CC(=C)C#CCC#N;YDJWHBCYZMVNAB-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170722;MM170722;C#CC(=O)C#CCC=C;VKHWEDDHUXJHPU-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170723;MM170723;C#CCC#CC(=C)C#C;NSYFGVBGWBFZJJ-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170724;MM170724;CC=CC#CC(C)CC;NIAZWWGRMHORHQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170725;MM170725;CCC(C)C#CC=CF;ZBWXTQRWVGBYIJ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170726;MM170726;CC=CC#CC(C)CN;KYUVHCRGSJWFDN-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170727;MM170727;CC=CC#CC(C)CO;HWYGSBPRQGRZMS-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170728;MM170728;CC=CC#CC(C)CF;JCSLAQKFFIAEST-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170729;MM170729;CC(C#CC=CF)CF;ABBDOIUKVFYDCE-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170730;MM170730;CC=CC#CC(N)CC;JWVWHJPEONSWMZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170731;MM170731;CCC(N)C#CC=CF;GOWDWBWCVARIFY-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170732;MM170732;CC=CC#CC(N)CN;XAMUIKRRSIGDNT-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170733;MM170733;NCC(N)C#CC=CF;YWKGLKDYQOWTNH-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170734;MM170734;CC=CC#CC(N)CO;DRLXJIFZEYSODF-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170735;MM170735;CC=CC#CC(O)CC;FPXIEGJNULYFEW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170736;MM170736;CCC(O)C#CC=CF;HFWXUIPCLMCMNZ-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170737;MM170737;CC=CC#CC(O)CN;QKEHGRUIYZFHSC-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170738;MM170738;NCC(O)C#CC=CF;NSAGXKWJHMZJFR-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170739;MM170739;OCC(O)C#CC=CF;DTGHAAAUOBMWIG-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170740;MM170740;CC=CC#CC(O)CF;AXESHXQJWKOBCC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170741;MM170741;OC(C#CC=CF)CF;KRAXVPSTKHOYGB-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170742;MM170742;CC=CC#CC(F)CC;HLGWKJLYIHBABT-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170743;MM170743;CCC(F)C#CC=CF;JLHIJNCHJJUCPH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170744;MM170744;CC=CC#CC(F)CN;JXTDQDADKFTBAX-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170745;MM170745;NCC(F)C#CC=CF;TWPLNOYVKNPADN-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170746;MM170746;CC=CC#CC(F)CO;ZWNVGFVFZUQPJW-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170747;MM170747;OCC(F)C#CC=CF;ZMJRBCWHRJYUFX-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170748;MM170748;CC=CC#CC(F)CF;IDBFKXPGLIQWQI-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170749;MM170749;CCC(C)C#CC=NN;UVIZRDXJLWIMIY-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170750;MM170750;CCC(C)C#CC=NO;FHYFQGWBJRTNQR-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170751;MM170751;CN(C=NOC=O)NC=O;LBFUAQOVLVRZQL-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170752;MM170752;CCC(N)C#CC=NO;DEPSDOUNVUDIHA-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170753;MM170753;CC#Cc1nc(=N)n(O)o1;STHLNITYIXIZHU-UHFFFAOYSA-N;139.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170754;MM170754;NCC(O)C#CC=NO;TXMMETUMFDHTJX-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170755;MM170755;C=NN(C)C=CC(=O)NN;SDNHTKVXRCSQRW-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170756;MM170756;C=CC(CC(=O)NN)OC;UAYNNZZCQFHKJI-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170757;MM170757;CCC(F)C#CC=NN;AYPYYAPXFZAJLL-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170758;MM170758;CCC(F)C#CC=NO;QJSIZZITAGJIMX-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170759;MM170759;C=CC(C=C)NNC(C)=O;ZVMRAADALFKEHN-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170760;MM170760;ON=CC#CC(F)CF;QFCNNPDOXQVZNM-UHFFFAOYSA-N;133.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170761;MM170761;CC=CC#CC(C)NC;WQTYXFDHPAEERK-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170762;MM170762;CC=CC#CC(C)OC;JIFFYKZXKFFTFT-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170763;MM170763;COC(C)C#CC=CF;NWZFCXJYAPSJJX-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170764;MM170764;COC(C)C#CC=NN;GQEFPCGRCNMZQB-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170765;MM170765;C=CC(C)C#CC=CC;FUSURQPAWWGSGT-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170766;MM170766;C=CC(C)C#CC=CF;QCRBEPXQMWKMRT-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170767;MM170767;CC=CC#CC(C)C=O;MVTKTZKMHCODAT-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170768;MM170768;CC=CC#CC(C)C#N;HRLGHDZJUPLVOX-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170769;MM170769;CC(C#CC=CF)C=O;ZDJJVWDVXGYWON-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170770;MM170770;CC(C#N)C#CC=CF;NBAVJCMLYJGVLS-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170771;MM170771;C=CC(N)C#CC=CC;FIFWKRANWRKZOC-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170772;MM170772;C=CC(O)C#CC=CC;DWTSYMOYVJZOBN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170773;MM170773;C=CC(O)C#CC=CF;WWJIGORMSOSWAC-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170774;MM170774;CC=CC#CC(O)C=O;LISITULEAKFVST-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170775;MM170775;O=CC(O)C#CC=CF;REOZSPYKZSRXQM-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170776;MM170776;C=CC(F)C#CC=CC;LOHPPYZLDZOYQG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170777;MM170777;C=CC(F)C#CC=CF;GTKSAZZGFDRDND-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170778;MM170778;CC=CC#CC(F)C=O;SFSXCRFSWICZCV-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170779;MM170779;CC=CC#CC(F)C#N;HWLATRIJSNHMKU-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170780;MM170780;N#CC(F)C#CC=CF;FNUWLGHJNJODFM-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170781;MM170781;C=CC(C)C#CC=NN;KBLXJHQOSGECMU-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170782;MM170782;C=CC(C)C#CC=NO;XGFZDAMKPPADSD-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170783;MM170783;C=CC(O)C#CC=NO;MROZXCGHECMAPD-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170784;MM170784;N#CC(O)C#CC=NO;CLXGNNOFYMDFCV-UHFFFAOYSA-N;124.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170785;MM170785;C=CC(F)C#CC=NN;JLXLOBOSRKFMLV-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170786;MM170786;C#CC(C)C#CC=CC;XYMOBGPERWCXRH-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170787;MM170787;C#CC(C)C#CC=CF;ACFOHTAKSUYUFG-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170788;MM170788;C#CC(O)C#CC=CC;HEYSABKJENWLHU-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170789;MM170789;C#CC(O)C#CC=CF;WXIFTCDQIGVERE-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170790;MM170790;C#CC(F)C#CC=CC;HBACPSXEOKXEQS-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170791;MM170791;C#CC(F)C#CC=CF;GCHMXHOXFCBGOS-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170792;MM170792;C#CC(C)C#CC=NN;DICSVGZDGQSLHF-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170793;MM170793;C#CC(C)C#CC=NO;PGBQBIWNNCYNCR-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170794;MM170794;C#CC(O)C#CC=NO;WQLLEFPRJFOXAX-UHFFFAOYSA-N;123.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170795;MM170795;C#CC(F)C#CC=NN;AIUNRQGHHSZHGW-UHFFFAOYSA-N;124.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170796;MM170796;C#CC(F)C#CC=NO;OLUNNKIURVWJHA-UHFFFAOYSA-N;125.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170797;MM170797;C=C(C#CC=CC)CC;ZBDRSGHBMIZHKZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170798;MM170798;C=C(C#CC=CF)CC;STIDEFRTIXIBEY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170799;MM170799;C=C(C#CC=CC)CN;BEKOGPHRQOUPDM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170800;MM170800;C=C(C#CC=CF)CN;FJCUWHVMRAUKPO-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170801;MM170801;C=C(C#CC=CC)CO;BVBWKQIGFWPYMA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170802;MM170802;C=C(C#CC=CC)CF;UOIGBHHGSOXPMV-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170803;MM170803;C=C(C#CC=CF)CF;UFBVFIJVQVXVPJ-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170804;MM170804;CC=CC#CC(=O)CC;UOCNRCHKZAGCLW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170805;MM170805;CCC(=O)C#CC=CF;FMNKFDUUQUOHQI-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170806;MM170806;CC=CC#CC(=O)CO;ZYBAROPXFKYZQN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170807;MM170807;CC=CC#CC(=O)CF;MFDSDQUUYILURN-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170808;MM170808;O=C(C#CC=CF)CF;QONONPCHJQRXMQ-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170809;MM170809;C=C(C#CC=NN)CC;MATJUTOIKHLBPV-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170810;MM170810;C=C(C#CC=NO)CC;UAVJEUMKGVJMNY-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170811;MM170811;C=C(C#CC=NN)CF;LLRUHCRCEIWYSG-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170812;MM170812;C=C(C#CC=NO)CF;KOGZTIJZCHKASL-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170813;MM170813;CNC(=N)C#CC=CF;OMCWTLBXKILHIL-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170814;MM170814;CC=CC#CC(=O)NN;CGLINGIQYAHKJG-UHFFFAOYSA-N;124.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170815;MM170815;O=C(C#CC=CF)NO;MKFMPKMZKJZOIZ-UHFFFAOYSA-N;129.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170816;MM170816;C#CC(C)C(=C)C(=O)NN;YRFPSRRCHMSGEE-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170817;MM170817;CNC(=O)C#CC=NO;BBBBHYVJUXWZTL-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170818;MM170818;NN=CC#CC(=O)NN;PUALZZZAYBOITF-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170819;MM170819;NNC(=O)C#CC=NO;CCUFFBMNRYPMTJ-UHFFFAOYSA-N;127.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170820;MM170820;NN=CC#CC(=O)NO;DZGXOXRTLWRPDF-UHFFFAOYSA-N;127.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170821;MM170821;C=C(C#CC=CC)OC;SHRXRHLMOUDLKA-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170822;MM170822;C=C(C#CC=CF)OC;MAXKLFUBTWZXGA-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170823;MM170823;CC=CC#CC(=O)OC;JYQDNVZEIYXPHI-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170824;MM170824;COC(=O)C#CC=CF;XLIIOFYJHMSSOB-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170825;MM170825;C=C(C#CC=NO)OC;LFFGRUYRSXZBON-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170826;MM170826;C=CC(=C)C#CC=CC;XHYIWUDQSFDOKM-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170827;MM170827;C=CC(=C)C#CC=CF;WIBJTNYLUJKAFL-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170828;MM170828;C=C(C#CC=CC)C=O;DPWFDYKHYVZERG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170829;MM170829;C=C(C#N)C#CC=CC;FPLDTMPBRPRFNP-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170830;MM170830;C=C(C#CC=CF)C=O;ZASBWAYDDUGTFT-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170831;MM170831;C=C(C#N)C#CC=CF;SRDXBNCPPZRKCA-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170832;MM170832;C=CC(=O)C#CC=CC;FRZLGZGFLWSUPM-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170833;MM170833;C=CC(=O)C#CC=CF;IMGPRMKFTZBAKY-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170834;MM170834;CC=CC#CC(=O)C=O;MALUGZRBCKDGSE-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170835;MM170835;CC=CC#CC(=O)C#N;YKSPIQSIEXSLLO-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170836;MM170836;O=CC(=O)C#CC=CF;YIQNFEQDIVQILL-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170837;MM170837;N#CC(=O)C#CC=CF;DXAPEDZVNUKCPY-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170838;MM170838;C=CC(=C)C#CC=NN;XQITVIFSNHBLBM-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170839;MM170839;C=CC(=C)C#CC=NO;BFINGPACFICCIJ-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170840;MM170840;C#CC(=C)C#CC=CC;IIISBSFXWDCQPK-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170841;MM170841;C#CC(=C)C#CC=CF;OYFJNLKJXJIFDD-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170842;MM170842;C#CC(=O)C#CC=CC;HDPCXOXZHLONGW-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170843;MM170843;C#CC(=O)C#CC=CF;IZUSRPIDDSGEON-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170844;MM170844;C#CC(=C)C#CC=NN;BARYWRDFOGUJEA-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170845;MM170845;C#CC(=C)C#CC=NO;BYCRBRDYLBXKPT-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170846;MM170846;CC#CC#CC(C)CC;MWPXPOVBNAWQGE-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170847;MM170847;CC#CC#CC(C)CN;XFAZTOMSTFQSAB-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170848;MM170848;CC#CC#CC(C)CO;JZWZCXLSKJRBPV-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170849;MM170849;CC#CC#CC(C)CF;UCBTZGSAINSALR-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170850;MM170850;CC#CC#CC(N)CC;IBXDJSHZHBNCPD-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170851;MM170851;CC#CC#CC(N)CN;ZOFMJZQSKBUVJW-UHFFFAOYSA-N;122.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170852;MM170852;CC#CC#CC(O)CC;OTSRDNMMSIQLFO-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170853;MM170853;CC#CC#CC(O)CN;LXJUCMKRCBBOAW-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170854;MM170854;CC#CC#CC(F)CC;WMWKANSPVZROFM-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170855;MM170855;CC#CC#CC(F)CO;MJDJUGYSTPOILB-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170856;MM170856;CC#CC#CC(F)CF;BZMBATJHRXIZHX-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170857;MM170857;CC#CC#CC(C)NC;SAGGEFOILPZMOF-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170858;MM170858;CC#CC#CC(C)OC;UUFGFUMGHPAAPA-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170859;MM170859;C=CC(C)C#CC#CC;ILWSIDROPHNMLX-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170860;MM170860;CC#CC#CC(C)C=O;HDWBGQRMMNIQDJ-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170861;MM170861;CC#CC#CC(C)C#N;ASYZMZFOKYTXPZ-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170862;MM170862;C=CC(O)C#CC#CC;UYVBDUZHBDESPJ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170863;MM170863;CC#CC#CC(O)C=O;ZCPQEXBCEJRPKL-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170864;MM170864;CC#CC#CC(O)C#N;HLTMXBWWGAEQMN-UHFFFAOYSA-N;119.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170865;MM170865;C=CC(F)C#CC#CC;KPHPNPVOMUQAPC-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170866;MM170866;CC#CC#CC(F)C=O;HHCQXDYGMNHSJL-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170867;MM170867;CC#CC#CC(F)C#N;IPUWFXCMWPIRSR-UHFFFAOYSA-N;121.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170868;MM170868;C#CC(C)C#CC#CC;WIKSQNSARBGHCW-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170869;MM170869;C#CC(O)C#CC#CC;PTKKGIQEGYDWEG-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170870;MM170870;C#CC(F)C#CC#CC;UHXDFSNIMNICQJ-UHFFFAOYSA-N;120.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170871;MM170871;C=C(C#CC#CC)CC;MLDPTIZCTOCSOL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170872;MM170872;C=C(C#CC#CC)CN;CPSCTDPLZYIYLI-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170873;MM170873;C=C(C#CC#CC)CO;OUQAVXNUDOKRAR-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170874;MM170874;C=C(C#CC#CC)CF;DFCBQNWLIIRNRJ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170875;MM170875;CC#CC#CC(=O)CC;IAJXAPHFYUXUAS-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170876;MM170876;CC#CC#CC(=O)CF;ZAXDYPSFNCLYEP-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170877;MM170877;CC#CC#CC(=N)NC;LZZOWXMCEQGKSB-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170878;MM170878;CC#CC#CC(=O)NC;YEGVLRKTUDRZJK-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170879;MM170879;CC#CC#CC(=O)NN;KGIYMBZEFRETLR-UHFFFAOYSA-N;122.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170880;MM170880;CC#CC#CC(=O)NO;QAFJGQSWQIYHDH-UHFFFAOYSA-N;123.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170881;MM170881;C=C(C#CC#CC)OC;WTLBMHYBILUQQI-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170882;MM170882;CC#CC#CC(=O)OC;ILNGAFOCDKSULU-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170883;MM170883;C=CC(=C)C#CC#CC;VEKUPCZZDCVDFD-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170884;MM170884;C=C(C#CC#CC)C=O;RRCDPBKWSLZMJI-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170885;MM170885;C=C(C#N)C#CC#CC;RAHUNOXLQBECCY-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170886;MM170886;C=CC(=O)C#CC#CC;VZUNVWHDMFJFPL-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170887;MM170887;CC#CC#CC(=O)C=O;OBKJCUMOGNOUKF-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170888;MM170888;CC#CC#CC(=O)C#N;CXQGBXWNQCTDIR-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170889;MM170889;C#CC(=C)C#CC#CC;KIUJIZWDTNDIAQ-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170890;MM170890;C#CC(=O)C#CC#CC;YLDBYASNOLBSAM-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170891;MM170891;CC=C(C)C#CCCC;IJYOKHZHZRRLAI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170892;MM170892;CC=C(C)C#CCCO;MZULMUTUIJYKME-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170893;MM170893;CC=C(C)C#CCCF;RSOJQFNATLEKED-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170894;MM170894;CCCC#CC(C)=CF;PERBKEPQRIFDQC-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170895;MM170895;CC(C#CCCF)=CF;ZOQATEUQKITBOF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170896;MM170896;CC=C(F)C#CCCC;YCHOCXDDORAVOU-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170897;MM170897;CC=C(F)C#CCCF;QMMRYTOVHLENRE-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170898;MM170898;CCCC#CC(F)=CF;IXQPIQHMQHXTEL-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170899;MM170899;FC=C(F)C#CCCF;ZQZSSVLTONXTSU-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170900;MM170900;CC=C(C)C#CCNC;JIRVOXNWGYQYFS-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170901;MM170901;CC=C(F)C#CCNC;DZCAOZHROYYREO-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170902;MM170902;CNCC#CC(F)=CF;CNADKEGTYOZCNT-UHFFFAOYSA-N;131.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170903;MM170903;CC=C(C)C#CCOC;HFZBOBLDLPCXSQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170904;MM170904;COCC#CC(C)=CF;MYVSFTHQWRRAHH-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170905;MM170905;CC=C(F)C#CCOC;RBTNKQJCFUESEE-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170906;MM170906;COCC#CC(F)=CF;AOMPBGORLPCLQI-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170907;MM170907;CCCC#CC(C)=NN;VOSRJVMQBMHZRB-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170908;MM170908;COC(C)C(O)C(C)=NN;OQZISKHPCICFEO-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170909;MM170909;CCCC#CC(C)=NO;FOSPRRMIZWHRRZ-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170910;MM170910;CNCC#CC(C)=NN;ZWPAOINJCFNQGI-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170911;MM170911;C=CCC#CC(C)=CC;KRISXSKYXYRSME-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170912;MM170912;CC=C(C)C#CCC=O;SPOPFDYHJHXMIQ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170913;MM170913;CC=C(C)C#CCC#N;AKZVBQUMDLKZLZ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170914;MM170914;C=CCC#CC(C)=CF;QMUZCMHBOGRNHY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170915;MM170915;CC(C#CCC#N)=CF;DIGLXKBEDNHMDG-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170916;MM170916;C=CCC#CC(F)=CC;GZWNUMCMLHACSU-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170917;MM170917;CC=C(F)C#CCC=O;NGCBRXZBQUIDTO-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170918;MM170918;CC=C(F)C#CCC#N;UYWBLQONBVOIBZ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170919;MM170919;C=CCC#CC(F)=CF;MQDGOLZHLHQOKM-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170920;MM170920;O=CCC#CC(F)=CF;MLNJIVMFPYDNGJ-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170921;MM170921;N#CCC#CC(F)=CF;ABSLXEWGKILFJF-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170922;MM170922;C=CCC#CC(C)=NN;FOWNIMVYDFWVNK-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170923;MM170923;C=CCC#CC(C)=NO;QSEDQTHSVROGCC-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170924;MM170924;C#CCC#CC(C)=CC;XEEJAAVMDHNCJN-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170925;MM170925;C#CCC#CC(C)=CF;FNIGGFNKKQPJMR-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170926;MM170926;C#CCC#CC(F)=CC;RSYQACNAXNYFJU-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170927;MM170927;C#CCC#CC(F)=CF;IUCYGYGERFHANX-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170928;MM170928;C#CCC#CC(C)=NN;GQALFVKKHVBJQJ-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170929;MM170929;C#CCC#CC(C)=NO;JDVNQWMJQXZQQL-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170930;MM170930;CC=CC#CC(C)=CC;YIRFQOYBQNQGHS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170931;MM170931;CC=C(C)C#CC=CF;SWFIQMLZKUPEPC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170932;MM170932;CC=CC#CC(C)=CF;SVEUMAGVXWTYEF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170933;MM170933;CC(C#CC=CF)=CF;QRXIXKCSZBVWRL-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170934;MM170934;CC=CC#CC(F)=CC;BIKQOOXTYXGLNA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170935;MM170935;CC=C(F)C#CC=CF;DNFHDPAYMQTRPS-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170936;MM170936;CC=CC#CC(F)=CF;RPSRTHRINRWURW-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170937;MM170937;FC=CC#CC(F)=CF;AJYFLYVPVJTFFM-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170938;MM170938;CC=C(C)C#CC=NN;RSYLUUXNBLUUMA-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170939;MM170939;CC=C(C)C#CC=NO;PGGBJEMWURLNDS-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170940;MM170940;CC(C#CC=NN)=CF;FQBVUCQIEFSZFR-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170941;MM170941;CC(C#CC=NO)=CF;GWFGISHNBFLUIS-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170942;MM170942;CC=C(F)C#CC=NN;RVXASUJRCHPISD-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170943;MM170943;CC=C(F)C#CC=NO;YQBLNOWABAZRJZ-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170944;MM170944;NN=CC#CC(F)=CF;KGVLKBTVFXKBBL-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170945;MM170945;CC=CC#CC(C)=NN;DIZGMHFHNUZWDS-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170946;MM170946;CC(C#CC=CF)=NN;OCCRLZGRWQIERE-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170947;MM170947;CC=CC#CC(C)=NO;NZPCVFVBCGPRTF-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170948;MM170948;CC(C#CC=CF)=NO;SZBDKQRAIJYTTF-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170949;MM170949;CC(C#CC=NO)=NO;KUSPJDROIKALOP-UHFFFAOYSA-N;126.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170950;MM170950;CC#CC#CC(C)=CC;BQDROAYTWUFLOA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170951;MM170951;CC#CC#CC(C)=CF;CSLPPZPBEAOUCR-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170952;MM170952;CC#CC#CC(F)=CC;ZEKDIPNLNMBGAL-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170953;MM170953;CC#CC#CC(F)=CF;MKQTZSWJJUHBRC-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170954;MM170954;CC#CC#CC(C)=NN;MQGNLIRJZABLSB-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170955;MM170955;CC#CC#CC(C)=NO;GRDLUUVTJQZZAK-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170956;MM170956;CCCCC=C(C)CC;RRPHUUXRVVPAAY-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170957;MM170957;CCC(C)=CCCCN;SLVWPAUKXOFEIJ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170958;MM170958;N=C(NNC=O)C(F)C=O;ZCWFGIDGFCSDMS-UHFFFAOYSA-N;147.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170959;MM170959;CCC(C)=CCCCF;OKOPAOFGEWIKAM-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170960;MM170960;CCCCC=C(C)CN;HHJHBALNDYHOOQ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170961;MM170961;CCCCC=C(C)CO;FJSDPBHPEJJKIP-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170962;MM170962;CC(=CCCCF)CO;ISRGYUDXNQXTNP-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170963;MM170963;CCCCC=C(C)CF;DAXCXSBDTMAEPN-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170964;MM170964;CCCCC=C(F)CC;GWXLGNWWPONSFN-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170965;MM170965;CCC(F)=CCCCN;XJCSZHKCKQWAMN-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170966;MM170966;CCC(F)=CCCCF;FTYPTEIWWULFNU-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170967;MM170967;NCCCC=C(F)CF;CHFPJYDMWGRCIV-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170968;MM170968;CCC(C)=CCCNC;RUZHCXFFICMWMT-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170969;MM170969;CNCCC=C(C)CO;GQNCNRPVZYLJOC-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170970;MM170970;CCC(F)=CCCNC;BJNVBUSWRVQCQH-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170971;MM170971;CNCCC=C(F)CF;FGDFOXXCKSSLIO-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170972;MM170972;CCC(C)=CCCOC;FTQWPKSAOQDUQV-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170973;MM170973;COCCC=C(C)CO;MKRQYJHYMUWPRG-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170974;MM170974;CCC(F)=CCCOC;LUIRIQFJRIFIDH-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170975;MM170975;COCCC=C(F)CO;FLYVLPAZWVYKBM-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170976;MM170976;CCCCC=C(C)OC;KEKALVZHZPSFPG-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170977;MM170977;COC(C)=CCCCN;RPRUXSUORAIPKU-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170978;MM170978;C=NOC(CC)C(O)CF;TVXAZWKXIOIWFC-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170979;MM170979;COCCC=C(C)OC;AFHFNLPUBMRNBW-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170980;MM170980;CCNCC=C(C)CC;SLYBRFTVQOZMJB-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170981;MM170981;CCNCC=C(C)CO;SNCOHGIKVZCZNO-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170982;MM170982;CCNCC=C(C)CF;ZNSQMHRDOLKEBG-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170983;MM170983;CCNCC=C(F)CC;LQSBXOMGOHPESO-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170984;MM170984;CCNCC=C(C)OC;YQPAMVINBCTWKX-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170985;MM170985;CCOCC=C(C)CC;DDQUBUGTGHPIHB-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170986;MM170986;CCOCC=C(C)CN;KSDLAQDZCUGIPO-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170987;MM170987;CCOCC=C(C)CO;ZUBOLKFSWVYWKK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170988;MM170988;CCOCC=C(F)CC;NOJATBAQKALWAV-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170989;MM170989;CCOCC=C(F)CO;LYMZDXRWIOEBOL-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170990;MM170990;CCOCC=C(C)OC;WXPGNPJKDCDIRL-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170991;MM170991;CCCOC=C(C)CC;XEDZMWKKYCNRHZ-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170992;MM170992;CCC(C)=COCCN;BJTBFSYDWOMDRL-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170993;MM170993;CCC(C)=COCCO;RLACAMPHHIUPRD-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170994;MM170994;CCCOC=C(C)CN;HIIOAOKOWZIBPA-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170995;MM170995;CC(=COCCN)CN;WPKAGAQOYYGZBK-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170996;MM170996;CC(=COCCO)CN;QQQFKJQJGIDIAH-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170997;MM170997;CC(=COCCF)CN;WEBLQJGCVFBEGJ-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170998;MM170998;CCCOC=C(C)CO;WGEKUXDKMBEBGJ-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM170999;MM170999;CC(=COCCN)CO;QKUZAOCUVWIJBL-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171000;MM171000;CC(=COCCO)CO;NCYAEVWSWMWDPM-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171001;MM171001;CC(=COCCF)CO;CWRGCCMNYJGQJC-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171002;MM171002;CCCOC=C(C)CF;NRXURCUMOJUMPH-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171003;MM171003;CC(=COCCO)CF;DIRBUOQDDSBCLH-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171004;MM171004;CC(=COCCF)CF;PKQRCILRXXAKKA-UHFFFAOYSA-N;136.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171005;MM171005;CCCOC=C(F)CC;LBVYKMFHZNOXEM-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171006;MM171006;CCC(F)=COCCN;CQWYSCHLTSXOOB-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171007;MM171007;CCC(F)=COCCO;OMBJNHUWZPFXEZ-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171008;MM171008;CCCOC=C(F)CO;XJCWTHIJNJWVJI-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171009;MM171009;NCCOC=C(F)CO;KLPJWETZJJXGON-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171010;MM171010;OCCOC=C(F)CO;LHUOHCQRXVGQFW-UHFFFAOYSA-N;136.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171011;MM171011;CCCOC=C(F)CF;DAWJXOYBVPTZIV-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171012;MM171012;CCC(C)=COCOC;NAJNAHVOIXSYDC-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171013;MM171013;COCOC=C(C)CN;RAXOVYOFSDDENP-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171014;MM171014;COCOC=C(C)CO;ICMCZDUHDXNIPV-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171015;MM171015;COCOC=C(C)CF;ORXRNDAJHDANSD-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171016;MM171016;CCC(F)=COCOC;QVWUFFIZMSGMRP-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171017;MM171017;COCOC=C(F)CF;OHMPXQVMKFMZPK-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171018;MM171018;CCCOC=C(C)OC;MPMKFBQXFRXZAG-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171019;MM171019;COC(C)=COCCN;XOYCYZUIOXMPIA-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171020;MM171020;COC(C)=COCCF;AXMNMJFTZDUCSG-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171021;MM171021;COCOC=C(C)OC;RJFTWXAPVJTINX-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171022;MM171022;C#CC(O)C(CC)NN=C;DORVBMDHGSPBJX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171023;MM171023;COC(C)=NNCCN;RXHPOTXLNGAKLI-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171024;MM171024;CCCON=C(C)CC;ACDWCTCKZFFHOJ-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171025;MM171025;CCC(C)=NOCCF;ZHCRLGDBSSRBLE-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171026;MM171026;CC(CN)=NOCCO;WNEZAIYLKSNCAJ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171027;MM171027;CC(CN)=NOCCF;IKMXNHYUZBWJOG-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171028;MM171028;CN=c1oc(N)c(F)n1O;KGXDCZPGTBRVMA-UHFFFAOYSA-N;147.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171029;MM171029;CC(CO)=NOCCN;NSWGCISFVBVQJY-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171030;MM171030;N=c1oc(CO)c(F)n1O;ZNHMBOKAZZOPIL-UHFFFAOYSA-N;148.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171031;MM171031;CCCON=C(C)CF;HIPPUXBTDRARKZ-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171032;MM171032;CC(CF)=NOCCF;WSFPDAPYRLMDQZ-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171033;MM171033;CCC(C)=NOCOC;VHXDWZMYQKGGTC-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171034;MM171034;COCON=C(C)CN;SCPYQEBEZFGQPO-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171035;MM171035;CC(=NO)NOCCN;RIXGWXHRUXYFKI-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171036;MM171036;CC(=NO)NOCCO;OUYWVZJFZVWHCQ-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171037;MM171037;CCCON=C(C)OC;VSABLRHOCVQMTH-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171038;MM171038;COC(C)=NOCCF;HGGIWMCVAGBORZ-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171039;MM171039;C=CCCC=C(C)CC;VLBCYLMKVRFERM-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171040;MM171040;CCC(C)=CCCC=O;TYNZTYZVNLOLDZ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171041;MM171041;CCC(C)=CCCC#N;MWFDEEDGNOCAHF-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171042;MM171042;C=CCCC=C(C)CN;PMKFXGQUXGQROG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171043;MM171043;C=CCCC=C(C)CO;LLYYICOAYKKWFI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171044;MM171044;C=CCCC=C(C)CF;OGEIABKBKCBNCB-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171045;MM171045;CC(=CCCC#N)CF;RNMUQGQWSMDBON-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171046;MM171046;C=CCCC=C(F)CC;DQTUMEPONAJLCR-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171047;MM171047;CCC(F)=CCCC=O;KKHQWFUPHIJFLE-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171048;MM171048;CCC(F)=CCCC#N;NQWYYZWPFRLDBC-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171049;MM171049;O=CCCC=C(F)CO;HYIKDJFYDIEPKQ-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171050;MM171050;O=CCCC=C(F)CF;WVEJLMQUKCYNPZ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171051;MM171051;N#CCCC=C(F)CF;UWVOZGOBHOYCBB-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171052;MM171052;C=CCCC=C(C)OC;AVEYSHUOGMVUDM-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171053;MM171053;COC(C)=CCCC=O;ZLPRFUZUMKQCNY-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171054;MM171054;COC(C)=CCCC#N;HLEJZZSJKDRAOL-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171055;MM171055;CCC(C)=CCNC=N;NZIUYFFNDNZCAJ-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171056;MM171056;N#Cc1oc(=N)n(O)c1F;VTCDJIKUCMLVKJ-UHFFFAOYSA-N;143.08;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171057;MM171057;CC(=CCNC=N)CN;YLJIRCMOWKWVKB-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171058;MM171058;CC(=CCNC=O)CN;RJLMEZXBNUBRGD-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171059;MM171059;CC(=CCNC=N)CO;GFGJADBEINYXLM-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171060;MM171060;CC(=CCNC=O)CO;DDTDLLAOQUMTLY-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171061;MM171061;CC(=CCNC=N)CF;RQUXDRHVWRPFBY-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171062;MM171062;CC(=CCNC=O)CF;HDUIYAJQRKDZJE-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171063;MM171063;CCC(F)=CCNC=O;JQYPGCVUXKJTKG-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171064;MM171064;N=CNCC=C(F)CO;GQBKQXSNJXDUNY-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171065;MM171065;N=CNCC=C(F)CF;NVYMFSLWWNCYOV-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171066;MM171066;C=NNCC=C(C)CC;SYWUQRFDPXWKEA-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171067;MM171067;C=CC(CNNC=O)OC;VTIKIJIOQLQATA-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171068;MM171068;C=NNCC=C(C)OC;GJOOYGIHUHXATF-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171069;MM171069;C=COCC=C(C)CC;JYMMHOFAEGEUMO-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171070;MM171070;CCC(C)=CCOC=O;DNDKIDIVRWNGOC-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171071;MM171071;C=COCC=C(C)CN;FMZKAPQPQYWJEP-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171072;MM171072;C=COCC=C(C)CO;MCGNRSVBJPKWAC-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171073;MM171073;C=COCC=C(C)CF;BURDWOLNZOEBQN-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171074;MM171074;CC(=CCOC=O)CF;IZZIWFPFERCRFZ-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171075;MM171075;C=COCC=C(F)CC;KHOCMBXUQVPDGD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171076;MM171076;CCC(F)=CCOC=O;PAQSDYXWVUCCCD-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171077;MM171077;C=COCC=C(F)CO;HZWKDGSJTYDAKV-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171078;MM171078;O=COCC=C(F)CF;LEIFNVLJYRVDHC-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171079;MM171079;C=NOCC=C(C)CC;SZJJUWQVJJCIIS-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171080;MM171080;C=NOCC=C(C)CF;ZWOAYCZDCFIYML-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171081;MM171081;C=NOCC=C(F)CC;NAPQFGIRQWKJDH-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171082;MM171082;C=NOCC=C(F)CF;WUJGCIDSYIHOMO-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171083;MM171083;C=COCC=C(C)OC;WFBVWGLJPNJMCC-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171084;MM171084;COC(C)=CCOC=O;MWXVEHSJHLLXNS-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171085;MM171085;C=NOCC=C(C)OC;OHUTZMMLDYQMIJ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171086;MM171086;C=CCOC=C(C)CC;WUGAEZBUVQPSOK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171087;MM171087;CCC(C)=COCC=O;LAKXVYCDJFTBOR-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171088;MM171088;CCC(C)=COCC#N;IXEGKPJAPSZBNY-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171089;MM171089;C=CCOC=C(C)CN;JVLYKNNFUIDZBE-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171090;MM171090;C=CCOC=C(C)CO;SDGVYOZKGVNQLB-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171091;MM171091;CC(=COCC=O)CO;REPYVFSGYNOQLA-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171092;MM171092;CC(=COCC#N)CO;LSMVHZDROQKFQB-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171093;MM171093;C=CCOC=C(C)CF;PUQOYQMMGVSVJW-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171094;MM171094;CC(=COCC#N)CF;FCDITCDJLDXOIK-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171095;MM171095;C=CCOC=C(F)CC;VJGTWUKDGPGLTQ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171096;MM171096;CCC(F)=COCC=O;DLBOTJNAECEYSG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171097;MM171097;C=CCOC=C(F)CO;WSTMGWMRNJKSRI-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171098;MM171098;C=CCOC=C(F)CF;BFKNOONYLWXSJP-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171099;MM171099;O=CCOC=C(F)CF;QJSCQMFZAILDAG-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171100;MM171100;N#CCOC=C(F)CF;YQMXBMNMXMUUTE-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171101;MM171101;C=CCOC=C(C)OC;MFZBTQYCLJFBIL-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171102;MM171102;C=CCNN=C(C)CC;AGWIABXQGOEWGH-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171103;MM171103;COc1nnc(=N)n(O)n1;PJNWNFZHKGXGLE-UHFFFAOYSA-N;143.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171104;MM171104;C#Cc1nc(C(C)C)c[nH]1;SRAUMBIRAUWWCP-UHFFFAOYSA-N;134.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171105;MM171105;C=NN=C1CC=C(CF)N1;AVDBJUIMQKKNBP-UHFFFAOYSA-N;141.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171106;MM171106;CCCc1nc(CF)c[nH]1;ALJDGJOGDJOCMV-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171107;MM171107;C=COc1c[nH]c(CC)n1;JAIPXNJQBBNFEU-UHFFFAOYSA-N;138.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171108;MM171108;C=CCON=C(C)CC;DXDXLRTUESSTMR-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171109;MM171109;CN=c1nc(C=O)on1O;AQAWGHHGVKTNQY-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171110;MM171110;C#CC(O)C1C(CO)N1C;OUYAQGVLLLPRSQ-UHFFFAOYSA-N;141.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171111;MM171111;C=CCON=C(C)CF;XRUYLEAODYPTAF-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171112;MM171112;C=CCONC(C)=NO;RIYCMGLEUUYGCI-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171113;MM171113;C=CCON=C(C)OC;UJZDJPKCXSHGGA-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171114;MM171114;C#CC(O)C1NC1C=CC;XUQKHIVQMXABFG-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171115;MM171115;COC(C)=NOCC#N;HRQSLFZHHSBLHI-UHFFFAOYSA-N;128.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171116;MM171116;C#CCCC=C(C)CC;ZJUPUOSUBZISFM-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171117;MM171117;C#CCCC=C(C)CN;HNVZWJYJGXPDKM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171118;MM171118;C#CCCC=C(C)CO;ZJIPZTAAABBXBZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171119;MM171119;C#CCCC=C(C)CF;IDDWNTHHLAPYSL-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171120;MM171120;C#CCCC=C(F)CC;AAVSROLURZCQBB-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171121;MM171121;C#CCCC=C(F)CF;SNYDKORTZHHADZ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171122;MM171122;C#CCCC=C(C)OC;GFUCXHOMCFBDCR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171123;MM171123;C#CCOC=C(C)CC;VIMZPPRGESJLSI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171124;MM171124;C#CCOC=C(C)CN;SWWGCNHPOSBTOH-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171125;MM171125;C#CCOC=C(C)CF;MRSPKXBZPHFPBR-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171126;MM171126;C#CCOC=C(F)CC;JKFQYDGDHHJTOM-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171127;MM171127;C#CCOC=C(F)CO;NXDAHUKDNPWHJZ-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171128;MM171128;C#CCOC=C(C)OC;VLZVRMORBFFVPR-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171129;MM171129;C#CCNN=C(C)CC;JENOSCXMQNAHGB-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171130;MM171130;N=c1ccoc2n[nH]cc12;TZJOBBCCTRMNHA-UHFFFAOYSA-N;135.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171131;MM171131;C#CCON=C(C)CC;XZMBVMNOVMFVHT-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171132;MM171132;C=CC(C)=CCCCC;YADIVGHOSBSJAY-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171133;MM171133;C=CC(C)=CCCCN;GDIRMERRLCWFDV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171134;MM171134;C=CC1=CCC(=NN)C=C1;VJUGZULHIMCYOQ-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171135;MM171135;C=CC(C)=CCCCF;OGAHZFQZDAEGKG-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171136;MM171136;CCCCC=C(C)C=O;IGNVJMUTQIKSHB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171137;MM171137;CCCCC=C(C)C#N;QZYDBWBXTSTLDK-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171138;MM171138;CC1(NNC=O)CC1;KDXOJEZJIUQWDD-UHFFFAOYSA-N;114.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171139;MM171139;CC(C=O)=CCCCF;GKAHPXONRGMJAK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171140;MM171140;C=CC(F)=CCCCC;XHQVACIAUUPHGG-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171141;MM171141;N#Cc1cc(N)n[nH]1;CLPXHJRACWYTNN-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171142;MM171142;C=CC(F)=CCCCF;WPBJKTQSXXXZFG-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171143;MM171143;O=CCc1cc[nH]n1;OQRYAEANWYAWTE-UHFFFAOYSA-N;110.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171144;MM171144;C=CC(C)=CCCNC;JSERKANNRVWAMM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171145;MM171145;C=CC(F)=CCCNC;AIYPVONMOONSLZ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171146;MM171146;C=CC(C)=CCCOC;NLWORVGECHSIOK-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171147;MM171147;COCCC=C(C)C=O;ODNLYIRVAKMQPC-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171148;MM171148;COCCC=C(C)C#N;BYMVMAZVJQWDTF-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171149;MM171149;C=CC(F)=CCCOC;OQJJFJYDYRKQEN-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171150;MM171150;COCCC=C(F)C#N;PUTXOHSUBIVWMD-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171151;MM171151;C=CC(C)=CCNCC;FPTFVHYOALGHBJ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171152;MM171152;C=CC(C)=CCOCC;KNRWANBXKZWMCQ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171153;MM171153;CCOCC=C(C)C=O;DZADSGCGEMLCAT-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171154;MM171154;CCOCC=C(C)C#N;WSGFXDDZSNQEPR-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171155;MM171155;C=CC(F)=CCOCC;OWUJRZQWQINSHW-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171156;MM171156;CCOCC=C(F)C#N;KYKBMXPTODRWCO-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171157;MM171157;CCCNC=C(C)C=O;LDFVWEMRJZPQGP-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171158;MM171158;CCCNC=C(C)C#N;OJVDXZWGHXLJSL-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171159;MM171159;CC(C=O)=CNCCO;QSCXUVHSEPGAEO-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171160;MM171160;CCCNC=C(F)C=O;YDDWNKFQTJVYIL-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171161;MM171161;O=CC(F)=CNCCO;FLJNOFLIPJUPSE-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171162;MM171162;N#CC(F)=CNCCO;PBVSCGULRGIUDF-UHFFFAOYSA-N;130.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171163;MM171163;O=CC(F)=CNCCF;QWFXUBANRJJVTK-UHFFFAOYSA-N;135.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171164;MM171164;N#CC(F)=CNCCF;NZKNLJSEWCXVSV-UHFFFAOYSA-N;132.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171165;MM171165;C=CC(C)=COCCC;BLZHVPAKLINNPB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171166;MM171166;C=CC(C)=COCCN;QLUGOJIYGRMCCT-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171167;MM171167;C=CC(C)=COCCO;DEWXWZZQEBCHFN-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171168;MM171168;CCCOC=C(C)C=O;VYENRXPBRQDQRZ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171169;MM171169;CCCOC=C(C)C#N;PVNZQRQRWDIVNW-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171170;MM171170;CC(C=O)=COCCO;ANLNMWWKVFQXPP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171171;MM171171;C=CC(F)=COCCC;QSZOJYQPLDMHOX-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171172;MM171172;C=CC(F)=COCCF;NOGUWEPSXKNJTN-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171173;MM171173;CCCOC=C(F)C=O;XEDCCPXRLFRJEB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171174;MM171174;O=CC(F)=COCCO;DYDQMRAUMWEGIL-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171175;MM171175;C=CC(C)=COCOC;VGNHFWMIOKHYCP-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171176;MM171176;C=CC(F)=COCOC;CPCRGOZGJNQBQP-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171177;MM171177;C=CC(C)=NNCCC;NZFFGPULZZNVJT-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171178;MM171178;C#CC(O)C1CN1C;HPIUEIPOGZNERK-UHFFFAOYSA-N;111.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171179;MM171179;C#CC(O)C(C)NN=C;QNIDXPOFPOSOLB-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171180;MM171180;CN(NC=O)C(=N)C=O;NMPPANOPWHEFTE-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171181;MM171181;C=CC(C)=NOCCF;CEXMKEMXIQGUBK-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171182;MM171182;N=c1oc(N)c(F)n1O;YZAHPNNPQTWZBK-UHFFFAOYSA-N;133.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171183;MM171183;CC(C#N)=NOCCO;WUROJAOTXZUACB-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171184;MM171184;C=CC(C)=NOCOC;XNQZWHXJMTZDOR-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171185;MM171185;C=CCCC=C(C)C=C;CPKQGZFNZCGUSO-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171186;MM171186;C=CC(C)=CCCC=O;QSGFNRAGUVEDCC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171187;MM171187;C=CC(C)=CCCC#N;YKJVJJBOVCQYCW-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171188;MM171188;C=CCCC=C(C)C=O;WJTMWMNAGLJGDA-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171189;MM171189;C=CCCC=C(C)C#N;GCPPPGDDRKNHCM-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171190;MM171190;CC(C=O)=CCCC=O;DAQVMEJTLWPPLF-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171191;MM171191;CC(C#N)=CCCC=O;FTFXVKQXJBYPQZ-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171192;MM171192;C=CC(F)=CCCC=O;NMQZGJSNWMLOIA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171193;MM171193;C=CC(F)=CCCC#N;FYEQCPDFHDMFIT-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171194;MM171194;C=CCCC=C(F)C#N;PQCAAAHJGSWDHT-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171195;MM171195;O=CCCC=C(F)C=O;ZCXYKDVPIVYGEH-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171196;MM171196;N#CCCC=C(F)C#N;QNROOWVIBXSNRV-UHFFFAOYSA-N;124.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171197;MM171197;C=CC(C)=CCNC=N;GEMOAZVTAYOERT-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171198;MM171198;Cc1c(N)nc(O)n1C;WJELXEUMRCARRL-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171199;MM171199;N#CC(F)=CCNC=O;HTRLDQSHXBMUMH-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171200;MM171200;C=CC(C)=CCNN=C;MDDWDJVECXTRRT-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171201;MM171201;N=c1nc(CF)on1O;XSKRDBSMYHDXCR-UHFFFAOYSA-N;133.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171202;MM171202;C=COCC=C(C)C=C;WLODKXAIPNXFDE-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171203;MM171203;C=CC(C)=CCOC=O;AHTLZLRGYPAHQI-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171204;MM171204;C=COCC=C(C)C=O;IXVNLNHXZCQFIX-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171205;MM171205;C=COCC=C(C)C#N;STWVPSHYVGLSAD-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171206;MM171206;CC(C#N)=CCOC=O;MDFYOOBUOLGESL-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171207;MM171207;C=COCC=C(F)C=C;IEFHYOLNDYHHEZ-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171208;MM171208;C=CC(F)=CCOC=O;LJTXJESFWVENSH-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171209;MM171209;C=COCC=C(F)C=O;HYMABSOJKKJLPS-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171210;MM171210;C=COCC=C(F)C#N;ORKYODLJJMRESC-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171211;MM171211;N#CC(F)=CCOC=O;JKVCJIRCKNQSKO-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171212;MM171212;C=CC(C)=CCON=C;MVXZROHHAWPMJL-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171213;MM171213;C=CC(F)=CCON=C;MQBYYRBGFHJZKV-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171214;MM171214;C=NOCC=C(F)C#N;RHZWZVZEHXBHME-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171215;MM171215;CC(C=O)=CNCC=O;TZAGJEOVOIJQCV-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171216;MM171216;CC(C=O)=CNCC#N;AWLBQZOQOFCRAT-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171217;MM171217;C=CCNC=C(F)C#N;GBZAIMFPKXDEBY-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171218;MM171218;CC(C#N)=CNNC=N;DZFIQHDJXVABCX-UHFFFAOYSA-N;124.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171219;MM171219;CC(C=O)=CNNC=O;FUMPGKVCEXRUIW-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171220;MM171220;N=CNNC=C(F)C=O;DNIJFOZUNPJYJW-UHFFFAOYSA-N;131.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171221;MM171221;N#CC(F)=CNNC=N;KHGFKEFYLXFTIO-UHFFFAOYSA-N;128.11;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171222;MM171222;N#CC(F)=CNNC=O;LGSLVOILCLZZJA-UHFFFAOYSA-N;129.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171223;MM171223;C=CCOC=C(C)C=C;DZLTURPCFRLIRU-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171224;MM171224;C=CC(C)=COCC#N;BDUAGQAIQGENQH-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171225;MM171225;C=CCOC=C(C)C=O;ZGJFCHIHYKRWPE-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171226;MM171226;C=CCOC=C(C)C#N;HBAVYRQXKTVTTE-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171227;MM171227;C=CCOC=C(F)C=C;LPMQNRJEFITBBN-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171228;MM171228;C=CC(F)=COCC=O;FTKUCAVSXCVIQU-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171229;MM171229;C=CCOC=C(F)C=O;IPTJTBNGGOSPMG-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171230;MM171230;C=CCOC=C(F)C#N;YIAKEOJYZDIJDJ-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171231;MM171231;N#CC(F)=COCC=O;AAKDAIZPSKQFCR-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171232;MM171232;N=c1nc(C=O)on1O;ZRJKLGQKKXCKAO-UHFFFAOYSA-N;129.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171233;MM171233;C=CCON=C(C)C=C;KHMUXMAPQACGRL-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171234;MM171234;N=c1oc(=O)cnn1O;KUCNMBQRSKSKRV-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171235;MM171235;C#CCCC=C(C)C=C;PRJQCUITSLEAKS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171236;MM171236;C#CCCC=C(C)C=O;IXFUODWYYPWZBJ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171237;MM171237;C#CCCC=C(C)C#N;GNUJDGOXGRAKBH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171238;MM171238;C#CCCC=C(F)C=C;YSMQHRLNYZNNFI-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171239;MM171239;C#CCCC=C(F)C=O;FXLLWFVYCJVINL-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171240;MM171240;C#CCNC=C(C)C=O;SLBDLZHOLSCOGG-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171241;MM171241;C#CCNC=C(F)C#N;GCWKGAZCQDLWGN-UHFFFAOYSA-N;124.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171242;MM171242;C#CCOC=C(C)C=C;DMFWTGSRWULMSF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171243;MM171243;C#CCOC=C(C)C=O;WFRCUISUHIQUHU-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171244;MM171244;C#CCOC=C(F)C=C;XYMZQVOTKSMDCM-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171245;MM171245;C#CCOC=C(F)C#N;BMXOXRFMPWHYSW-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171246;MM171246;C#CCON=C(C)C=C;QMXKTTICCVXQHO-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171247;MM171247;C#CCON=C(C)C=O;XXYVYWQNONJMEP-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171248;MM171248;C#CCON=C(C)C#N;ARHNGOHDGORHQP-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171249;MM171249;C#CC(C)=CCCCC;NIZQUMMHCBQVGQ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171250;MM171250;C#CC(C)=CCCCN;YKTZERROWZDFTA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171251;MM171251;C#CC(C)=CCCCF;NXWSGPMEAHYTFG-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171252;MM171252;C#CC(F)=CCCCC;REKLXHNWUGORGA-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171253;MM171253;C#CC(F)=CCCCN;BMSZCNYUFPSACM-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171254;MM171254;C#CC(F)=CCCCF;OSMLANIHRLQXRM-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171255;MM171255;C#CC(C)=CCCNC;IBDHOIVLVRTJIT-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171256;MM171256;C#CC(C)=CCCOC;UCEKMALIHIBMGA-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171257;MM171257;C#CC(C)=CCNCC;ZIDKWUYORSTEHI-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171258;MM171258;C#CC(C)=CCOCC;MWVHTXXKGPFNMQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171259;MM171259;C#CC(C)=COCCC;ULJXMRHNDSGGNA-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171260;MM171260;C#CC(C)=COCCN;WQFUNHXCNTVYLD-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171261;MM171261;C#CC(C)=COCCF;QCKVUGPWUVRSCU-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171262;MM171262;C#CC(F)=COCCC;CGGUYAXRPXDSCY-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171263;MM171263;C#CC(F)=COCCN;UMUDDCQAJLLENG-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171264;MM171264;C#CC(C)=COCOC;BUPZFLQJVUEPLG-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171265;MM171265;C#CC(F)=COCOC;DEPWUUQNQFZILT-UHFFFAOYSA-N;130.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171266;MM171266;C#CC(C)=NNCCN;HLJKGAGWDIWNEW-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171267;MM171267;C#CC(C)=NOCCC;LZRKZBHPOPCNIV-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171268;MM171268;C#CC(C)=CCCC=C;ITAIURMWUAPZKB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171269;MM171269;C#CC(C)=CCCC=O;YZWZAPYLSAEEKH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171270;MM171270;C#CC(C)=CCCC#N;YISRKDXRHKLJFV-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171271;MM171271;C#CC(F)=CCCC=C;MWBUKGWGRASPDD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171272;MM171272;C#CC(F)=CCCC=O;LPFDYDOCTBVGGD-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171273;MM171273;C#CC(F)=CCNC=O;JTRMGCCAOUSBGG-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171274;MM171274;C#CC(C)=CCNN=C;VUGIZDKDBPBWRH-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171275;MM171275;C#CC(F)=CCNN=C;FJULNDFNQQZPFM-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171276;MM171276;C#CC(C)=CCOC=C;WLQVSPYZAZTHMJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171277;MM171277;C#CC(C)=CCOC=O;VYZWNGKEAYGOTN-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171278;MM171278;C#CC(F)=CCOC=C;KDKKCWUUEPUOFE-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171279;MM171279;C#CC(C)=CCON=C;LBRCCBOCBGAIJP-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171280;MM171280;C#CC(F)=CCON=C;OMHRKYWFURYYQW-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171281;MM171281;C#CC(C)=COCC=C;YCVGLYGAPPLFSN-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171282;MM171282;C#CC(C)=COCC=O;HWYHBMWRIGCMBB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171283;MM171283;C#CC(C)=COCC#N;IXJVLXCJRAXEJU-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171284;MM171284;C#CC(F)=COCC=C;JJBQZERDFZISDZ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171285;MM171285;C#CC(F)=COCC=O;ZEGQPVYLNJYLMF-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171286;MM171286;C#CC(C)=NNCC=C;RBLYTZWIXFHCGD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171287;MM171287;C#CC(C)=NOCC=C;CQBFTXLHXSRIRM-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171288;MM171288;C#CC(C)=NOCC#N;PZXYCIGXPVXQJT-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171289;MM171289;C#CCCC=C(C)C#C;RLRLVHUPPXCZEC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171290;MM171290;C#CCCC=C(F)C#C;IIXULAXSTTYKIW-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171291;MM171291;C#CCOC=C(C)C#C;BFVGYLDGGMEXFB-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171292;MM171292;C#CCON=C(C)C#C;JKAIAGNIDVHMRT-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171293;MM171293;CC=CCC=C(C)CC;WZTOVINKJVFOFN-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171294;MM171294;CC=CCC=C(C)CN;SSRWOXKOMWFGEL-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171295;MM171295;CC(=CCC=CF)CN;SHCDFIINIJRICO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171296;MM171296;CC=CCC=C(C)CO;MMIFGXYENKWEJW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171297;MM171297;CC(=CCC=CF)CO;ZPNCQMUAOCVELR-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171298;MM171298;CC=CCC=C(C)CF;LSXAVCLZQZCHEP-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171299;MM171299;CC(=CCC=CF)CF;ACXQRISYRKPVEQ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171300;MM171300;CC=CCC=C(F)CC;VXGWGEVCNKMFLU-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171301;MM171301;CCC(F)=CCC=CF;YCVCKKYZHREUNY-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171302;MM171302;CC=CCC=C(F)CO;JFQMXNIYJXDLBO-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171303;MM171303;CC=CCC=C(F)CF;DGUFOXLHVOOLIT-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171304;MM171304;CCC(C)=CCC=NN;VMZOSVZCSHZNIQ-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171305;MM171305;CCC(C)=CCC=NO;IPMJYYQPLSCYJK-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171306;MM171306;CCC(F)=CCC=NO;AGNZBACXTVUGHX-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171307;MM171307;NN=CCC=C(F)CF;UBDQTRKLPKMNAX-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171308;MM171308;ON=CCC=C(F)CF;LTXXJXBYUHWIKK-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171309;MM171309;CC=CCC=C(C)OC;YDAKPVSWXKHJJR-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171310;MM171310;COC(C)=CCC=CF;UTFOLVDXVJNQNR-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171311;MM171311;COC(C)=CCC=NO;RTWQUKGBBDTFIE-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171312;MM171312;CCC(C)=CN=CNC;CFEKURNBZJOWEB-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171313;MM171313;CCC(C)=CN=CNN;UORGNAJPNSQSOH-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171314;MM171314;CC(=CN=CNO)CN;NHDPPWOWYYCLAZ-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171315;MM171315;CN=CNC=C(C)CO;AMCIRUUTUYRCFN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171316;MM171316;CC(=CN=CNN)CO;YJFJEHSPTBEVAY-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171317;MM171317;CN=CNC=C(C)CF;JMGKDYCFSWNISK-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171318;MM171318;CC(=CN=CNN)CF;IPRRZLOAXAIAPE-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171319;MM171319;Cc1nc(C=NN)c[nH]1;LSNXAZUWUVXXML-UHFFFAOYSA-N;124.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171320;MM171320;CN=CNC=C(F)CN;RZFUJWHCJCHSKA-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171321;MM171321;CN=CNC=C(F)CF;PCSYBGKLTMRQDL-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171322;MM171322;ON=CNC=C(F)CF;ZDQILHWGDJLXJJ-UHFFFAOYSA-N;136.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171323;MM171323;CC=COC=C(C)CC;QVKDMZGUKPIZAB-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171324;MM171324;CCC(C)=COC=CF;WRLBHEQLUMLZPR-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171325;MM171325;CC=COC=C(C)CN;RIYPEJRPIVTZGH-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171326;MM171326;CC=COC=C(C)CO;DBZOTBLTNOHYBD-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171327;MM171327;CC(=COC=CF)CO;RRDXEMRHICJRTC-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171328;MM171328;CC=COC=C(C)CF;ZSCWNTLJZUPTAI-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171329;MM171329;CC(=COC=CF)CF;KNGSHKSQNBEKJC-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171330;MM171330;CC=COC=C(F)CC;YYQWUXNHIREWBS-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171331;MM171331;CC=COC=C(F)CO;QVGYEFGWPDJVEZ-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171332;MM171332;OCC(F)=COC=CF;LWEPROBYDIYDHF-UHFFFAOYSA-N;136.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171333;MM171333;C=COc1cc(N)n[nH]1;VJZZJEPAJVJILF-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171334;MM171334;CCC(C)=COC=NO;HUWCPBUNADRVJM-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171335;MM171335;CC(=COC=NO)CN;VXXHUJJLWWESKM-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171336;MM171336;C#CC(O)C1CN1CC;CPDKOQGFRBTPBM-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171337;MM171337;C#CC(O)C1C(C)N1C;IXXVGFVGULAPHE-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171338;MM171338;ON=COC=C(F)CF;FMMNTCKMDSACAB-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171339;MM171339;CC=COC=C(C)OC;YLOUBVXITBOTDM-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171340;MM171340;COC(C)=COC=CF;UOOZIFLVIHXWPM-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171341;MM171341;COCC(C)(C)C(=O)NN;YGLIQXYXXXMSQE-UHFFFAOYSA-N;146.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171342;MM171342;COCC(C)(C)NNC=O;MCDAKQULCYAUOQ-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171343;MM171343;CC(O)(CO)C(C#N)=CN;YBYZDHBYUGBHIU-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171344;MM171344;C=CC(C)=CCC=CC;RBOPLEQTEZMRMF-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171345;MM171345;C=CC(C)=CCC=CF;MUFFKPPBQKWNQE-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171346;MM171346;CC=CCC=C(C)C=O;GSDVSXUGWYLSGN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171347;MM171347;CC=CCC=C(C)C#N;OJYQAPCTBSNJJD-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171348;MM171348;CC(C#N)=CCC=CF;PIOZCMGMMARFIZ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171349;MM171349;C=CC(F)=CCC=CC;YNJALKHIPBLKJX-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171350;MM171350;C=CC(F)=CCC=CF;BMBQDMYSSIFFCV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171351;MM171351;CC=CCC=C(F)C=O;UDJFDIMBERPHGP-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171352;MM171352;CC=CCC=C(F)C#N;WVNQMSRGFDGHKK-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171353;MM171353;O=CC(F)=CCC=CF;FUINBORJUWJJSF-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171354;MM171354;N#CC(F)=CCC=CF;BXJYYUUYRGGSLM-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171355;MM171355;C=CC(C)=CCC=NN;SMMUMBUKWROBRN-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171356;MM171356;C=CC(C)=CCC=NO;UXYQFWWRKYOHTL-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171357;MM171357;C=CC(F)=CCC=NN;MNWKDQZXUBKGNS-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171358;MM171358;C=CC(F)=CCC=NO;CVSVQYMGUZRBEF-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171359;MM171359;N#CC(F)=CCC=NO;FDHPSBBKCCDDIC-UHFFFAOYSA-N;128.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171360;MM171360;C=CC(C)=CNC=NC;PPXQZHOBVQFYBO-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171361;MM171361;C=CC(C)=CN=CNN;QRPIMTDCKSQZPJ-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171362;MM171362;CN=CNC=C(C)C=O;VWWFCGZSBCODQI-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171363;MM171363;CN=CNC=C(C)C#N;QULMCLDARZDIMT-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171364;MM171364;C=CC(F)=CNC=NC;QQNAEHJZYFHQGR-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171365;MM171365;C=CC(F)=CNC=NO;JXTFFIJIWSHAAF-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171366;MM171366;N#CC(F)=CNC=NO;WCSLSPLXILEPTG-UHFFFAOYSA-N;129.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171367;MM171367;C=CNC(=O)N=CN(C)N;KEZPGOYKHUZQTN-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171368;MM171368;C=C(C)OCCC(=O)NN;ZNIAZSALNYSFKD-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171369;MM171369;C=COC(C)CC(=O)NN;QOXMSNVVQHKHIH-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171370;MM171370;C=CCNNC(=O)CC=C;FECHZIQQPCHAOD-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171371;MM171371;C=CC(C)=COC=CC;DMLKUOPSDPCIJL-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171372;MM171372;C=CC(C)=COC=CF;CSJKVQHUTPBWTN-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171373;MM171373;CC=COC=C(C)C#N;UXIYQMXCMIWNOK-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171374;MM171374;CC(C=O)=COC=CF;MISVYTBTAXOIBY-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171375;MM171375;CC(C#N)=COC=CF;UGPAYLXEOXZBAM-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171376;MM171376;C=CC(F)=COC=CC;XLKMSNIPEOZKIB-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171377;MM171377;C=CC(F)=COC=CF;COPGZVOQASOYIX-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171378;MM171378;CC=COC=C(F)C=O;XUKBVUPBFWWXEN-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171379;MM171379;CC=COC=C(F)C#N;GKAFIXIOFPDZMS-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171380;MM171380;N#CC(F)=COC=CF;DSRAVPBKNCIGJM-UHFFFAOYSA-N;131.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171381;MM171381;CN(N)C(=O)C(O)CCO;JKQGKFJXJKDWIQ-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171382;MM171382;Cc1nn(O)c(=N)oc1=O;QNXIJGRAVVMVNX-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171383;MM171383;C=NN(C)CCC(=O)NN;NOBGTADGUPTDPU-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171384;MM171384;C=NOCC(F)C(O)CO;IDTTZZHTHZELCL-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171385;MM171385;C=CC(C)=NOC=NO;WIZKGOXKQQHDMF-UHFFFAOYSA-N;128.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171386;MM171386;CC(C=O)=NOC=NO;UDLOOUBJFHMWFI-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171387;MM171387;C#CC(C)=CCC=CC;PCTRCTKFIFRDCA-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171388;MM171388;C#CC(C)=CCC=CF;DIIDYJBCKKSXTA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171389;MM171389;C#CC(F)=CCC=CC;DMMIZRRUDHOTEB-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171390;MM171390;C#CC(F)=CCC=CF;ZSTKCMYJPPICOC-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171391;MM171391;C#CC(C)=CCC=NN;QFKYSPASBGAZHF-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171392;MM171392;C#CC(C)=CCC=NO;CYGJDITZALRNJG-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171393;MM171393;C#CC(F)=CCC=NO;NCGXRYQSICOITD-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171394;MM171394;C#CC(C)=CNC=NC;XVIGHIJSNVYGTJ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171395;MM171395;C#CC(F)=CNC=NO;XDJHUNGNONQVNC-UHFFFAOYSA-N;128.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171396;MM171396;C#CC(C)=COC=CC;MCEOMXMSGVBITF-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171397;MM171397;C#CC(C)=COC=CF;SPDMQNNDZYFQHH-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171398;MM171398;C#CC(F)=COC=CC;GLZFIOFOYVVGDK-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171399;MM171399;C#CC(F)=COC=CF;ZMWNEOARTHYZCG-UHFFFAOYSA-N;130.09;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171400;MM171400;CC=NOC(C)C(O)CF;DQKQVKSHNVVEGT-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171401;MM171401;C#CC(C)=COC=NO;FDVKVDDIVAERMN-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171402;MM171402;CC#CCC=C(C)CC;YNHBJBZOMUFENM-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171403;MM171403;CC#CCC=C(C)CN;ZADCCFCUKRLRJK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171404;MM171404;CC#CCC=C(C)CO;TUZNOGOXWLWBDT-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171405;MM171405;CC#CCC=C(C)CF;PBCDOXRVEHSORS-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171406;MM171406;CC#CCC=C(F)CC;OPXUOCYWHPNHGU-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171407;MM171407;CC#CCC=C(F)CF;IYVHVDLWZWCGJF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171408;MM171408;CC#CCC=C(C)OC;BMCOQPHCAAOHQS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171409;MM171409;C=CC(C)=CCC#CC;URKFTDMUBBSBMC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171410;MM171410;CC#CCC=C(C)C=O;NXHCRDAWOLOMIK-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171411;MM171411;CC#CCC=C(C)C#N;IUGNCHYENBPBCE-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171412;MM171412;C=CC(F)=CCC#CC;SITPWMFVJWIKNS-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171413;MM171413;CC#CCC=C(F)C=O;LFVKQIMCPJVWTA-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171414;MM171414;CC#CCC=C(F)C#N;BAVLFVQMDKKSIY-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171415;MM171415;C#CC(C)=CCC#CC;KASCNACGODANSM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171416;MM171416;C#CC(F)=CCC#CC;JIOZEZBMWMDKET-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171417;MM171417;CCC=CC=C(C)CC;NMLXVJUAYBYNIA-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171418;MM171418;CCC(C)=CC=CCN;DDLOZOPHHJRLBW-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171419;MM171419;CCC(C)=CC=CCO;CDTJVIBYNPHWAH-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171420;MM171420;CCC(C)=CC=CCF;OBQUBBHQFGAVFW-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171421;MM171421;CCC=CC=C(C)CN;YZVMVEVVRNWONV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171422;MM171422;CC(=CC=CCN)CN;JWZQRJPWSJCYLP-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171423;MM171423;CC(=CC=CCF)CN;DAGYPZUNQSGCTG-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171424;MM171424;CCC=CC=C(C)CO;XKECKWRSDXQZGM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171425;MM171425;CC(=CC=CCN)CO;IEGCCQHTHQHCII-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171426;MM171426;CC(=CC=CCF)CO;OLGDBZOIXQNEDJ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171427;MM171427;CCC=CC=C(C)CF;CUBPHKCXUKAGKU-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171428;MM171428;CC(=CC=CCN)CF;PVGXLIWTDMODEB-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171429;MM171429;CC(=CC=CCF)CF;QZVAABVPOJLEFP-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171430;MM171430;CCC=CC=C(F)CC;WCXMUFJEBHTRRW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171431;MM171431;CCC(F)=CC=CCN;ICFYDYCXADBJCJ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171432;MM171432;CCC(F)=CC=CCO;DMSLWGLIMVTFGW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171433;MM171433;CCC(F)=CC=CCF;DABYZRQKLUTGIK-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171434;MM171434;CCC=CC=C(F)CO;XXPDKQSJQYGUQZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171435;MM171435;CCC(C)=CC=COC;UXYVAMBWGNKYGG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171436;MM171436;COC=CC=C(C)CN;KRLFJGDQGKIFBU-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171437;MM171437;COC=CC=C(C)CO;MWVKTBBWCSRPFK-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171438;MM171438;COC=CC=C(C)CF;QWTRJEXDHALTSA-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171439;MM171439;CCC(F)=CC=COC;QIXLONITKZGRHZ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171440;MM171440;COC=CC=C(F)CO;IWKVXDHWMQYELU-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171441;MM171441;CCC=CC=C(C)OC;ZEWQTBNCEXQIAV-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171442;MM171442;COC(C)=CC=CCN;DTCXWTYSUPYRHJ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171443;MM171443;COC(C)=CC=CCO;JACWXESHZFVSQZ-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171444;MM171444;COC(C)=CC=CCF;YRODDXNXGCBHFZ-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171445;MM171445;COC=CC=C(C)OC;GLICPFRTEYCFIK-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171446;MM171446;CCC(C)=CC=NNC;WEOXUOMJJSETHV-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171447;MM171447;CNN=CC=C(C)CF;OHRZYDCBWPONOE-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171448;MM171448;CCC(C)=CC=NOC;LJLQYGOBNSXIGF-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171449;MM171449;CON=CC=C(C)CN;GXSAUOOSAQYSMD-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171450;MM171450;NN(C=O)C(=O)NC=CF;KOHDFEVDRKUVKY-UHFFFAOYSA-N;147.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171451;MM171451;CCC(F)=CC=NOC;GMMPTCYEOLGLBQ-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171452;MM171452;CON=CC=C(F)CF;GKCWYVMVSNKZRK-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171453;MM171453;CNNC=CC(=N)NC;YNXUTULGQOKJSQ-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171454;MM171454;CNC(=N)C=CNOC;HCBUKOMQZACTDP-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171455;MM171455;CNN=CC=C(C)OC;RCRZXPCEBFDABA-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171456;MM171456;CON=CC=C(C)OC;KLYSIWCTVHTQFV-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171457;MM171457;CCC=NN=C(C)CC;TXFXEYYTTAEREP-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171458;MM171458;CCC(C)=NN=CCF;XVYULLJUMGZPRJ-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171459;MM171459;CCC=NN=C(C)CO;SJIHFOPWUKPSJU-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171460;MM171460;CC(CO)=NN=CCF;FGXUMNYLBUBTIS-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171461;MM171461;CCC=NN=C(C)CF;AKYQFOXBIKEOTL-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171462;MM171462;CC(CF)=NN=CCO;JMXFOJQMVWGGNN-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171463;MM171463;CC(CF)=NN=CCF;ZZJAYWPBWAJQPT-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171464;MM171464;CCC(C)=NN=COC;IRWGIKLLLDILAM-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171465;MM171465;COC=NN=C(C)CF;KPISSPOCQKYWOD-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171466;MM171466;CCC=NN=C(C)OC;BRTQRJMYBSQGRA-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171467;MM171467;COC(C)=NN=CCF;YRUWDMIUFBTNNS-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171468;MM171468;C=CC=CC=C(C)CC;PODHMQVMASHLFC-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171469;MM171469;CCC(C)=CC=CC=O;GGSFWXPLEXMPHZ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171470;MM171470;CCC(C)=CC=CC#N;KLITYBQOQGYIDR-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171471;MM171471;C=CC=CC=C(C)CN;WZXYWHJKGSKIQP-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171472;MM171472;C=CC=CC=C(C)CO;WCKKGRAXGYAETD-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171473;MM171473;CC(=CC=CC=O)CO;XDOQWPZVKOEVJN-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171474;MM171474;CC(=CC=CC#N)CO;IOWMNHKYKQEHRK-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171475;MM171475;C=CC=CC=C(C)CF;UMAVNIOQBZNKSC-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171476;MM171476;C=CC=CC=C(F)CC;UYAUJZAKHMEBPS-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171477;MM171477;CCC(F)=CC=CC=O;HURJAGQUBUYLBH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171478;MM171478;CCC(F)=CC=CC#N;KJJYTUIGTUFURF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171479;MM171479;C=CC=CC=C(F)CO;RBPZUXSFKVPFSW-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171480;MM171480;N#CC=CC=C(F)CO;JLJZMKBBCNUSPL-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171481;MM171481;C=CC=CC=C(F)CF;MLBPTBRCXNGSNK-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171482;MM171482;O=CC=CC=C(F)CF;OJXSZRMBSMPSMC-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171483;MM171483;N#CC=CC=C(F)CF;DEKCRJQZIHFPET-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171484;MM171484;C=CC=CC=C(C)OC;GDBJNVWGWWVIAO-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171485;MM171485;COC(C)=CC=CC#N;QHLLMGWYGNETIV-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171486;MM171486;C=NN=CC=C(C)CC;CDXLBZVRSBKCNB-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171487;MM171487;C=NN=CC=C(C)CN;PINOPSVYFZRJHO-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171488;MM171488;C=NN=CC=C(C)CO;CGRMIAVEPYNZPA-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171489;MM171489;C=NN=CC=C(N)CC;VWTCZAJBZGTRDU-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171490;MM171490;NN=C(N)C(=O)NC=CF;FVBAVOCMWJKUQU-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171491;MM171491;C=NN=CC=C(N)CF;HSZQSSKLJIOIRU-UHFFFAOYSA-N;129.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171492;MM171492;C=NN=CC=C(F)CC;GHXIMMMHZWJIKI-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171493;MM171493;C=NN=CC=C(F)CO;XWZJHIRAWLIJLD-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171494;MM171494;C=NNC=CC(C)=NC;AYQBRVNVLUUDSL-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171495;MM171495;C=NN=CC=C(C)OC;PVPDHDOAGAGXGZ-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171496;MM171496;C=CC=NN=C(C)CC;RKMUUDIATBABJC-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171497;MM171497;CCC(C)=NN=CC=O;GEPFGXWREPUKBD-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171498;MM171498;CCC(C)=NN=CC#N;GYGNEMAXJKXUHK-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171499;MM171499;C=CC=NN=C(C)CO;BNGJVKRSRLVZHR-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171500;MM171500;CC(CO)=NN=CC#N;FRGRYRBKRILIPT-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171501;MM171501;C=CC=NN=C(C)CF;MNPZBSPHONQGOI-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171502;MM171502;CC(CF)=NN=CC=O;CLVWDWLFJWRBDZ-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171503;MM171503;CC(CF)=NN=CC#N;FPMXKFBDMQUYMO-UHFFFAOYSA-N;127.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171504;MM171504;C=CC=NN=C(C)OC;BXGBFOASJRONLV-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171505;MM171505;COC(C)=NN=CC=O;BSTXHKFHDPDDCE-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171506;MM171506;C#CC=CC=C(C)CC;ZSGYTSKYMPHDKB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171507;MM171507;C#CC=CC=C(C)CN;BYLLBZJLLOHPRF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171508;MM171508;C#CC=CC=C(C)CO;PHFRNPGBWAVYBE-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171509;MM171509;C#CC=CC=C(C)CF;MAACCVJYAMZEMS-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171510;MM171510;C#CC=CC=C(F)CC;IQRSTZIBNUVVRZ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171511;MM171511;C#CC=CC=C(F)CO;QAKRMIHQOJEVMY-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171512;MM171512;C#CC=CC=C(F)CF;DWBYKWFWLIOWPA-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171513;MM171513;C#CC=NN=C(C)CC;VZRUCCUDUAGCSV-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171514;MM171514;C#CC=NN=C(C)CF;XAOJFXCZYQYVQZ-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171515;MM171515;C=CC(C)=CC=CCC;YMPRIQRRPJGLNF-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171516;MM171516;C=CC(C)=CC=CCN;WKWWNTNXBIVOSC-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171517;MM171517;C=CC(C)=CC=CCO;MGLGPSBGIVGPRN-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171518;MM171518;C=CC(C)=CC=CCF;VGKZHGRGGLQEQH-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171519;MM171519;CCC=CC=C(C)C=O;CWUFFNBUBKBGSB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171520;MM171520;CCC=CC=C(C)C#N;MLIJZIQCUHIWMG-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171521;MM171521;CC(C=O)=CC=CCO;YWKSRZITOGJBAG-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171522;MM171522;CC(C#N)=CC=CCO;YDRBOKKCCUFNBP-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171523;MM171523;CC(C=O)=CC=CCF;VJVRSJKCMOHBSK-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171524;MM171524;C=CC(F)=CC=CCC;ZXKXTKUSLXYQPX-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171525;MM171525;C=CC(F)=CC=CCO;CKOVYZNSGSEORB-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171526;MM171526;CCC=CC=C(F)C=O;SGMIWAQYRRQXIB-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171527;MM171527;CCC=CC=C(F)C#N;WLDRCPYEDDDEOV-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171528;MM171528;O=CC(F)=CC=CCO;QOSISSSSCBEKQK-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171529;MM171529;N#CC(F)=CC=CCO;SYYXPHANUGBNFI-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171530;MM171530;C=CC(C)=CC=COC;VZPIYPUHKOGGKL-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171531;MM171531;COC=CC=C(C)C=O;HLEXWJHGHMXACN-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171532;MM171532;COC=CC=C(C)C#N;VNAWCPWQBUDGCO-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171533;MM171533;C=CC(F)=CC=COC;YDXGABAOJMSTBP-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171534;MM171534;COC=CC=C(F)C=O;KIYVUDQFHJTAIL-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171535;MM171535;COC=CC=C(F)C#N;WCWRGVXFIWXVOR-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171536;MM171536;CNN=CC=C(C)C=O;UPVMZPIPDBZDHL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171537;MM171537;CNN=CC=C(F)C#N;HTAWMSKDJQLOLW-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171538;MM171538;C=CC(C)=CC=NOC;GRNKRMRTPPQLHZ-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171539;MM171539;CON=CC=C(C)C=O;JPQCTBHHEKYYHD-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171540;MM171540;C=CC(F)=CC=NOC;FQYWKSZZXUKKQP-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171541;MM171541;CON=CC=C(F)C#N;WOHXCNNKTPWTOY-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171542;MM171542;C=CC(C)=NN=CCC;WFXSKRNROZNPMJ-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171543;MM171543;C=CC(C)=NN=CCO;GRNUYOVEPWPCDU-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171544;MM171544;C=CCOCCC(=O)NN;YRETYVXZXJGTEX-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171545;MM171545;CCC=NN=C(C)C=O;OIGQPUPXICBNPY-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171546;MM171546;CCC=NN=C(C)C#N;NGTDCTUSLRNGPH-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171547;MM171547;CC(C=O)=NN=CCF;DJFFPERDVYNXDU-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171548;MM171548;CC(C#N)=NN=CCF;QABVPZACAYHMSW-UHFFFAOYSA-N;127.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171549;MM171549;C=CC(C)=NN=COC;MJDUZQYTUYKZFR-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171550;MM171550;COC=NN=C(C)C=O;BUOVQQPSGRXIID-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171551;MM171551;COC=NN=C(C)C#N;COFKWPRRPZYSSV-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171552;MM171552;C=CC=CC=C(C)C=C;VXARACXDSZYARX-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171553;MM171553;C=CC(C)=CC=CC=O;IGWUAAWAEVXKED-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171554;MM171554;C=CC(C)=CC=CC#N;CUJBXUIXQYYODL-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171555;MM171555;C=CC=CC=C(C)C=O;XCWUKUCVPDWXAP-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171556;MM171556;C=CC=CC=C(C)C#N;KZIBRKIPMKSNLG-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171557;MM171557;CC(C=O)=CC=CC=O;QMSDWRYXWABUMN-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171558;MM171558;CC(C=O)=CC=CC#N;WGKUJGFYUDTWJB-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171559;MM171559;CC(C#N)=CC=CC#N;YINBQNJDWJJHOA-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171560;MM171560;C=CC=CC=C(F)C=C;NDIBYZPWAHVFOW-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171561;MM171561;C=CC(F)=CC=CC=O;OWCXBUYNHWLMPY-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171562;MM171562;C=CC=CC=C(F)C=O;XASADEZBFWYZTN-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171563;MM171563;O=CC=CC=C(F)C=O;PWQGUYVCCSITHJ-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171564;MM171564;N#CC(F)=CC=CC=O;MDEVWSYRQPJIBP-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171565;MM171565;N#CC=CC=C(F)C=O;DJBINXKYHYZFME-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171566;MM171566;N#CC=CC=C(F)C#N;AVWUZSNCRPNAGC-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171567;MM171567;C=CC(C)=CC=NN=C;CTFZGKJNGBEJFJ-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171568;MM171568;C=NN=CC=C(C)C=O;MYWWKADYUOIBLA-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171569;MM171569;C=NN=CC=C(C)C#N;MFIHSVDSXYVKSD-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171570;MM171570;C=CC(N)=CC=NN=C;OJKUETJNWBOZQY-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171571;MM171571;C=NN=CC=C(F)C=O;CVZYJDNZOIREDL-UHFFFAOYSA-N;128.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171572;MM171572;C=NN=CC=C(F)C#N;SPZISBCOGLWSRI-UHFFFAOYSA-N;125.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171573;MM171573;C=CC(C)=NN=CC=O;QKLPDBUUJWSYQN-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171574;MM171574;C=CC(C)=NN=CC#N;NCUWUFNJVRPNDX-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171575;MM171575;C=CC=NN=C(C)C=O;IITFZQXKSIKGOR-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171576;MM171576;C=CC=NN=C(C)C#N;QLKCSVUNGAEXPU-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171577;MM171577;CC(C=O)=NN=CC=O;ZVNNKUVHCIBPPS-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171578;MM171578;CC(C#N)=NN=CC=O;SZRJCSKVWYNQPF-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171579;MM171579;CC(C=O)=NN=CC#N;PWYYXJNLPFJOEI-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171580;MM171580;CC(C#N)=NN=CC#N;WZOVKJPIKKBWCJ-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171581;MM171581;C#CC=CC=C(C)C=C;XRNQUKNVWMATQG-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171582;MM171582;C#CC=CC=C(C)C=O;QUTUZVYRNICIOG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171583;MM171583;C#CC=CC=C(C)C#N;RUTCBABDJSYXJT-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171584;MM171584;C#CC=CC=C(F)C=O;SMBDZJGGXBURMP-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171585;MM171585;C#CC=CC=C(F)C#N;JPPQBRLMLPWEQN-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171586;MM171586;C#CC=NN=C(C)C=C;JOXAYDQKCDKPNQ-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171587;MM171587;C#CC=NN=C(C)C=O;ZEYPSZWDMHVVFT-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171588;MM171588;C#CC=NN=C(C)C#N;RTBVPDLASBZWGM-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171589;MM171589;C#CC(C)=CC=CCC;WCGFQYWDHPNCTM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171590;MM171590;C#CC(C)=CC=CCN;WSYXFBNYSQFIOI-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171591;MM171591;C#CC(C)=CC=CCO;HPLCRAVDLFHATF-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171592;MM171592;C#CC(F)=CC=CCC;JLYUQCSSDRKZLL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171593;MM171593;C#CC(F)=CC=CCO;CHVKHVQZVZUIBK-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171594;MM171594;C#CC(C)=CC=COC;YIHFHLVDRCJEHH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171595;MM171595;C#CC(F)=CC=COC;UUSSURGXPBJRCQ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171596;MM171596;C#CC(F)=CC=NNC;XJJMZVCFBVSRKS-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171597;MM171597;C#CC(C)=CC=NOC;KGAAYWIMFJOYCI-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171598;MM171598;C#CC(F)=CC=NOC;HKHZCACRGSRCRQ-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171599;MM171599;C#CC(C)=NN=CCC;KESOMARYZCXFMF-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171600;MM171600;C#CC(C)=NN=CCO;LEYQZZIOSYTQJU-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171601;MM171601;C#CC(C)=NN=CCF;KSICUCBLRRLOQO-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171602;MM171602;C#CC(C)=NN=COC;KFVDIZIXJDOKDJ-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171603;MM171603;C#CC(C)=CC=CC=C;UIZUAYGFXYEFLW-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171604;MM171604;C#CC(C)=CC=CC=O;QHTOGQPFWMOCQS-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171605;MM171605;C#CC(C)=CC=CC#N;RPWUMLUOEURQLY-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171606;MM171606;C#CC(F)=CC=CC=C;APOKKJZVRDULOZ-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171607;MM171607;C#CC(F)=CC=CC=O;XMEQGKLDWQDCSZ-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171608;MM171608;C#CC(F)=CC=CC#N;HQIAYMMUVZMPPH-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171609;MM171609;C#CC(C)=CC=NN=C;NGSPPAHDYXJSSX-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171610;MM171610;C#CC(N)=CC=NN=C;NSAZPBDCVDTTIP-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171611;MM171611;C#CC(F)=CC=NN=C;BMQCBOOVAKWSML-UHFFFAOYSA-N;124.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171612;MM171612;C#CC(C)=NN=CC=C;FWIHTVJGXZKTRA-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171613;MM171613;C#CC(C)=NN=CC=O;UFKDWZLVEMUDTE-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171614;MM171614;C#CC=CC=C(C)C#C;RHCYTLGWDIKNOM-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171615;MM171615;C#CC=CC=C(F)C#C;LHKGGXBSPUVFHQ-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171616;MM171616;CCC#CC=C(C)CC;FWXKJCQAWXHNKE-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171617;MM171617;CCC(C)=CC#CCN;DZZBEABXCYHPIC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171618;MM171618;CCC(C)=CC#CCO;OELKATJIIDFFCI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171619;MM171619;CCC(C)=CC#CCF;LPDKUXIZOJGTIC-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171620;MM171620;CCC#CC=C(C)CN;GWQRXVZEZSKOQT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171621;MM171621;CC(=CC#CCF)CN;BGHIOKZWWZRKQV-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171622;MM171622;CCC#CC=C(C)CO;HHEFWMAMOXLESW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171623;MM171623;CC(=CC#CCF)CO;PYVXZFWVBFRYPX-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171624;MM171624;CCC#CC=C(C)CF;QRLUCHXJOFHCGW-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171625;MM171625;CC(=CC#CCN)CF;APDHFMZMEHPSPJ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171626;MM171626;CC(=CC#CCO)CF;OWCQCXOYGSQDBC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171627;MM171627;CC(=CC#CCF)CF;VXVWWGPCPDASOY-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171628;MM171628;CCC#CC=C(F)CC;XJJPGPAYXAUIKD-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171629;MM171629;CCC(F)=CC#CCN;SAIZUNKVWWSLMJ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171630;MM171630;CCC(F)=CC#CCO;FRNXQRGPUFUAFC-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171631;MM171631;CCC(F)=CC#CCF;FSMCZYVBQUWLMF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171632;MM171632;CCC#CC=C(F)CO;BTACNSAWRGLXBO-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171633;MM171633;NCC#CC=C(F)CO;VYFDYLZFYDTDFJ-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171634;MM171634;OCC(F)=CC#CCF;IXVXSXVYBTZRQX-UHFFFAOYSA-N;132.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171635;MM171635;CCC#CC=C(F)CF;BOWUMUQZEVDYIW-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171636;MM171636;CCC#CC=C(C)OC;IFCMCTNDCWDEPZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171637;MM171637;COC(C)=CC#CCN;LGFBQKJUWODWTO-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171638;MM171638;COC(C)=CC#CCO;RLKCKWNHIIRXQG-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171639;MM171639;COC(C)=CC#CCF;BZGOCKCIIBJLNK-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171640;MM171640;C=CC#CC=C(C)CC;RNRGSLDNKYYBKO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171641;MM171641;CCC(C)=CC#CC=O;KRHFLFMWGPOVFH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171642;MM171642;C=CC#CC=C(C)CN;MXMQZIGGZFTZSF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171643;MM171643;C=CC#CC=C(C)CO;ZPKKTNQPXXKXJH-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171644;MM171644;C=CC#CC=C(C)CF;ALSJHIJQBXGLPA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171645;MM171645;CC(=CC#CC=O)CF;FQDIWEPDILSJMP-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171646;MM171646;C=CC#CC=C(F)CC;WZTLSHGFVRMIKI-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171647;MM171647;CCC(F)=CC#CC=O;GKTCQXRMCMNPOX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171648;MM171648;CCC(F)=CC#CC#N;LTWJSPISICETJX-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171649;MM171649;C=CC#CC=C(F)CO;ZMXZRVGHBLOISC-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171650;MM171650;O=CC#CC=C(F)CO;QPBNFJKNEFBGAC-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171651;MM171651;N#CC#CC=C(F)CO;MCJQQTDBHOWZPK-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171652;MM171652;C=CC#CC=C(F)CF;CQPJZIVSDOJSHR-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171653;MM171653;N#CC#CC=C(F)CF;KHXJODVTEGQPJN-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171654;MM171654;C=CC#CC=C(C)OC;KRUUZUTXRRFUEG-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171655;MM171655;COC(C)=CC#CC=O;KNEIQKHHJGOFCG-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171656;MM171656;COC(C)=CC#CC#N;XDHWLOZEIBBGDB-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171657;MM171657;C#CC#CC=C(C)CC;QLPJJTLUTWACPN-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171658;MM171658;C#CC#CC=C(C)CN;MDVCQKSSUKTUPV-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171659;MM171659;C#CC#CC=C(C)CO;RMYDWMPYFZZTIP-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171660;MM171660;C#CC#CC=C(C)CF;MUXJANPHMPSVFM-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171661;MM171661;C#CC#CC=C(F)CC;XQZMULAHYVXZJD-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171662;MM171662;C#CC#CC=C(F)CO;UMRPUGLEFLNVQQ-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171663;MM171663;C#CC#CC=C(F)CF;XLVIMUWIRYGCJV-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171664;MM171664;C#CC#CC=C(C)OC;SFNBGHWCTCRRML-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171665;MM171665;C=CC(C)=CC#CCC;YUCAVOUMJJMGPD-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171666;MM171666;C=CC(C)=CC#CCN;UVHUZQDJMFMEFK-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171667;MM171667;C=CC(C)=CC#CCO;DSVJLZPRBRQIAE-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171668;MM171668;C=CC(C)=CC#CCF;CCJFDGNBJLCSLS-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171669;MM171669;CCC#CC=C(C)C=O;WRSHKZBVVQSERM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171670;MM171670;CCC#CC=C(C)C#N;PKCVWSINXGROAG-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171671;MM171671;CC(C=O)=CC#CCF;VDMWNPLBHRWJHH-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171672;MM171672;CC(C#N)=CC#CCF;MNYXYAIYZLLXBI-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171673;MM171673;C=CC(F)=CC#CCC;AMXUIGMMYZHACY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171674;MM171674;C=CC(F)=CC#CCN;AXPTUGPILWIVOF-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171675;MM171675;C=CC(F)=CC#CCO;QKXIRGOIMCCDBV-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171676;MM171676;C=CC(F)=CC#CCF;YJFHZRHPNBNRAY-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171677;MM171677;CCC#CC=C(F)C=O;BIZYFNZFDWGKIP-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171678;MM171678;CCC#CC=C(F)C#N;HVGZLQFNAKFWDM-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171679;MM171679;N#CC(F)=CC#CCO;UYYRFEQUDRLUCV-UHFFFAOYSA-N;125.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171680;MM171680;O=CC(F)=CC#CCF;UCJREJFYQATPQS-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171681;MM171681;N#CC(F)=CC#CCF;NWABKKMDWZRSPL-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171682;MM171682;C=CC#CC=C(C)C=C;GYOVRXYAPKHTBJ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171683;MM171683;C=CC(C)=CC#CC=O;QOQIQGGMHXRMEZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171684;MM171684;C=CC#CC=C(C)C=O;NUABHNKMSTVVEC-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171685;MM171685;C=CC#CC=C(C)C#N;SEJFKYSYCSAAKG-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171686;MM171686;CC(C#N)=CC#CC=O;WUSLTSHNQNDBOC-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171687;MM171687;CC(C=O)=CC#CC#N;GIGBGTSDDDYMRY-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171688;MM171688;C=CC#CC=C(F)C=C;RTUMQJQEWGQJIK-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171689;MM171689;C=CC(F)=CC#CC=O;NMVIDMULGSGBMR-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171690;MM171690;C=CC(F)=CC#CC#N;GKCIVHNGDGZTGS-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171691;MM171691;C=CC#CC=C(F)C=O;CEHRKHQXXVVEOW-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171692;MM171692;C=CC#CC=C(F)C#N;ZBZCANSDBBJYQM-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171693;MM171693;O=CC#CC=C(F)C=O;BEDIAOPNVOIRFA-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171694;MM171694;N#CC(F)=CC#CC=O;BQEBSBKLZRBDJR-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171695;MM171695;N#CC#CC=C(F)C=O;UJSWVEWPZPZZOA-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171696;MM171696;C#CC#CC=C(C)C=C;GLQSBCASWXOOFS-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171697;MM171697;C#CC#CC=C(C)C=O;VDFBYJNTZYVEFG-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171698;MM171698;C#CC#CC=C(C)C#N;AKWXDTITSLINFQ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171699;MM171699;C#CC#CC=C(F)C=C;AODGJKJECRPUOQ-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171700;MM171700;C#CC#CC=C(F)C=O;DSJVRQIZZHBOGY-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171701;MM171701;C#CC#CC=C(F)C#N;NGLWLKOYTQFYIF-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171702;MM171702;C#CC(C)=CC#CCC;BYYQJPRAYMMAES-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171703;MM171703;C#CC(C)=CC#CCN;SGCUCVYZIJHEGK-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171704;MM171704;C#CC(C)=CC#CCO;BBJIAYODOHMYDK-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171705;MM171705;C#CC(C)=CC#CCF;DNRRGSTUNNCKEE-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171706;MM171706;C#CC(F)=CC#CCC;HCHFGFOGMVYJCP-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171707;MM171707;C#CC(F)=CC#CCN;VUJUGZVMGAODEQ-UHFFFAOYSA-N;123.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171708;MM171708;C#CC(F)=CC#CCO;MZXTYNGHAQJFSB-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171709;MM171709;C#CC(F)=CC#CCF;FBYZLOSEIUCDPD-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171710;MM171710;C#CC(C)=CC#CC=C;BWECJYRVJCGKEJ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171711;MM171711;C#CC(C)=CC#CC=O;XATMBRNXUMNBBF-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171712;MM171712;C#CC(C)=CC#CC#N;VFCMQENKWLHXEK-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171713;MM171713;C#CC(F)=CC#CC=C;BDWCFRYEQVIBBN-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171714;MM171714;C#CC(F)=CC#CC=O;SABCGGCLQAWBPO-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171715;MM171715;C#CC(F)=CC#CC#N;ROYFPAKLYCZAQX-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171716;MM171716;C#CC#CC=C(C)C#C;QRIOLXHYFSHJNU-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171717;MM171717;C#CC#CC=C(F)C#C;SJVKGHBBVMYULM-UHFFFAOYSA-N;118.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171718;MM171718;CCCC(C)C(C)CC;MAKRYGRRIKSDES-UHFFFAOYSA-N;128.26;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171719;MM171719;CCC(C)C(C)CCN;BMRPIHRBNXNHFS-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171720;MM171720;CCCC=CNC(=O)NN;FOGQNAGCVCBELY-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171721;MM171721;CCCC(C)C(C)CN;BFALYJCUEITKAW-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171722;MM171722;CC(CN)C(C)CCF;RVHRSIGNDAUPQA-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171723;MM171723;C#CCC(=CC)C(=O)NN;FPUQQJVZCWVLRA-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171724;MM171724;CCCC(C)C(C)CF;ZWHZPIWSLQZBGO-UHFFFAOYSA-N;132.22;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171725;MM171725;CCC=C(CO)C(=O)NN;RQWBPTHBJVWORD-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171726;MM171726;CC(CF)C(C)CCF;WDTIONRKMUCMTP-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171727;MM171727;CCCC(C)C(N)CC;AATYZZMKXORGOA-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171728;MM171728;CCC(N)C(C)CCO;UTSWHKUHRYGUFU-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171729;MM171729;CCC(N)C(C)CCF;GZWCDSMGJOXMKV-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171730;MM171730;CCCC(C)C(N)CN;KVVXEZIAUVQWHH-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171731;MM171731;CCCC(C)C(N)CO;DNJLOOKMUZMYJY-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171732;MM171732;CC(CCN)C(N)CO;XMPAKPLYGIQLQO-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171733;MM171733;CCCC(C)C(N)CF;PRBKSOUXJWJROK-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171734;MM171734;CC(CCN)C(N)CF;ZKRFWEDOVNDUDZ-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171735;MM171735;CC(CCO)C(N)CF;SZKDKWPBAYTBDS-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171736;MM171736;CNc1oc(=N)n(O)c1F;QIRPTBYGHUIJPK-UHFFFAOYSA-N;147.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171737;MM171737;CCC(O)C(C)CCN;YWOQSEWVHSSCEE-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171738;MM171738;CCC(O)C(C)CCO;SBEAASQNRARXJX-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171739;MM171739;CCCC(C)C(O)CN;BDXBBTAINKMXIR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171740;MM171740;CC(CCF)C(O)CN;QXIRLELMWMKIGC-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171741;MM171741;CCCC(C)C(O)CO;MSCWGJFHWUZSAO-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171742;MM171742;CCCC(C)C(O)CF;CNRGOXZOEBQLIL-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171743;MM171743;CC(CCN)C(O)CF;DZAWINHXSIYCAW-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171744;MM171744;CCCC(C)C(F)CC;VNUWRHVMVHECQF-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171745;MM171745;CCC(F)C(C)CCN;IOIPAYCBZGCLGE-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171746;MM171746;CCC(F)C(C)CCO;PGPADGCUUDVMDM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171747;MM171747;CCC(F)C(C)CCF;QNUJBLZZRYTQNP-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171748;MM171748;CCCC(C)C(F)CN;TXBJPYPWHZDFNR-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171749;MM171749;CC(CCN)C(F)CN;TWNOXNKEGOVAIY-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171750;MM171750;CC(CCO)C(F)CN;QGPBLSNJQLFRHH-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171751;MM171751;CC(CCO)C(F)CF;HPHKXAXJBZMFPS-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171752;MM171752;CCCC(N)C(C)CC;AJCNQVQDTKLQPS-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171753;MM171753;CCC(C)C(N)CCO;KNFKQDPQYVMZIH-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171754;MM171754;CCC(C)C(N)CCF;TUDLJRHMPFYRTF-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171755;MM171755;CC(CN)C(N)CCN;FZJMOWPBSOMYNW-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171756;MM171756;CCCC(N)C(C)CF;RGAXLTOQGVJOHB-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171757;MM171757;CCCC(N)C(N)CC;PZSIPPXABSEBKH-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171758;MM171758;CCC(N)C(N)CCN;FESHDRWUOFCCNR-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171759;MM171759;CCCC(N)C(N)CN;KFYGNPHPVRVMHH-UHFFFAOYSA-N;131.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171760;MM171760;CCCC(N)C(N)CO;OROSJZALRBVAAV-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171761;MM171761;CCCC(N)C(N)CF;PXZSGTTWQKMMJS-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171762;MM171762;NC(CF)C(N)CCF;RMVPSNJAICMCRR-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171763;MM171763;CCCC(N)C(O)CC;MHEYXKFDVYKWRU-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171764;MM171764;CCC(O)C(N)CCN;BDPFQFAOLSVYLV-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171765;MM171765;CCCC(N)C(O)CN;GDKUJSYRXBXGJF-UHFFFAOYSA-N;132.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171766;MM171766;CCCC(N)C(O)CO;UPOFKQSTXMBVLO-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171767;MM171767;CCCC(N)C(F)CC;HYKGZSKMHQFPBQ-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171768;MM171768;CCC(F)C(N)CCN;MQAVUGZKZNWPCG-UHFFFAOYSA-N;134.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171769;MM171769;CCC(F)C(N)CCF;IVABDCODXLGSIQ-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171770;MM171770;NCC(F)C(N)CCO;YTSVDCSVQFFPHX-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171771;MM171771;NCC(F)C(N)CCF;RFJNPHDRRWAUSD-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171772;MM171772;C#Cc1oc(=N)n(O)c1F;BNPLZRRVZBACGB-UHFFFAOYSA-N;142.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171773;MM171773;CCC(C)C(O)CCO;PESGUTZAXXQWJP-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171774;MM171774;CCCC(O)C(C)CN;HCCXCMPWGADUTR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171775;MM171775;CC(CN)C(O)CCO;CLGJWDNYAKFUPJ-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171776;MM171776;CC(CO)C(O)CCO;YICHTIJCWFGGJD-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171777;MM171777;CC(CF)C(O)CCF;STOQNVIYKUCATR-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171778;MM171778;CCCC(O)C(N)CC;LXHUAPWNXDAINJ-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171779;MM171779;CCC(N)C(O)CCO;BABIVJDYHRKFRL-UHFFFAOYSA-N;133.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171780;MM171780;NCCC(O)C(N)CN;XJBWBFYLLFWXRC-UHFFFAOYSA-N;133.2;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171781;MM171781;NCC(N)C(O)CCO;KABGFOVZABUFCN-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171782;MM171782;NCCC(O)C(N)CO;OZVOYNPMXZHJIB-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171783;MM171783;NC(CO)C(O)CCO;HJOVMEHWPREARA-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171784;MM171784;NCCC(O)C(N)CF;DDLKUZPWNHIJDT-UHFFFAOYSA-N;136.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171785;MM171785;CCC(O)C(O)CCO;KJPYHRLBRSHUOV-UHFFFAOYSA-N;134.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171786;MM171786;NCCC(O)C(O)CN;NCMHHBUHSKBLDY-UHFFFAOYSA-N;134.18;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171787;MM171787;NCCC(O)C(O)CO;XVXJCXAYRINQBW-UHFFFAOYSA-N;135.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171788;MM171788;OCCC(O)C(O)CO;ZDAWZDFBPUUDAY-UHFFFAOYSA-N;136.15;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171789;MM171789;OC(CF)C(O)CCF;MYGBIOKFLMOIPK-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171790;MM171790;OCCC(O)C(F)CO;VPCNCAQLVMKMQT-UHFFFAOYSA-N;138.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171791;MM171791;CCCC(F)C(C)CC;JLYAEOSFRJSKKA-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171792;MM171792;CCC(C)C(F)CCN;KNQMGJFJYRDCLL-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171793;MM171793;CCC(C)C(F)CCF;QEHVANPSCMKERF-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171794;MM171794;CCCC(F)C(C)CN;KJYZRHCEXFLKRM-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171795;MM171795;CC(CN)C(F)CCO;RQLQVMWYIIULEY-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171796;MM171796;CCCC(F)C(C)CO;PUQOBFBZFZGSLN-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171797;MM171797;CC(CO)C(F)CCF;QFFABWUPQAPAJR-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171798;MM171798;CCCC(F)C(C)CF;TWGHQQBCBUNECQ-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171799;MM171799;CC(CF)C(F)CCO;DLRBTXPJHLTEME-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171800;MM171800;CC(CF)C(F)CCF;SESWTDSJZQOPCK-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171801;MM171801;CCCC(F)C(N)CC;SVAQIEIDSDMMHC-UHFFFAOYSA-N;133.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171802;MM171802;CCC(N)C(F)CCF;WPEMAMMKMBYISW-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171803;MM171803;NCC(N)C(F)CCF;FEYGGSIOVMBJPI-UHFFFAOYSA-N;138.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171804;MM171804;CCC(O)C(F)CCF;VTHJFPFHZKGNBH-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171805;MM171805;CCCC(F)C(O)CO;XLBRFPJBQFDNCU-UHFFFAOYSA-N;136.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171806;MM171806;OCC(O)C(F)CCF;VOVKJHWYAQRXDW-UHFFFAOYSA-N;140.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171807;MM171807;CCC(F)C(F)CCN;MBKUXWBPSBDVPO-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171808;MM171808;CCC(F)C(F)CCF;XBWIFNYYJDGMDD-UHFFFAOYSA-N;140.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171809;MM171809;CCCC(F)C(F)CN;LXPQROCQRJSNRD-UHFFFAOYSA-N;137.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171810;MM171810;CCC(C)C(C)CNC;DORAUDNUIFCFHK-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171811;MM171811;CNCC(C)C(N)CN;KYBBFBZYNBJYBI-UHFFFAOYSA-N;131.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171812;MM171812;CNCC(C)C(N)CO;SZWSHDGWKFMVOM-UHFFFAOYSA-N;132.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171813;MM171813;CNCC(C)C(N)CF;BOQRSFHABPGMEC-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171814;MM171814;CCC(O)C(C)CNC;WECZFOLWHDPTSZ-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171815;MM171815;CNCC(C)C(O)CN;HGVDEUUSXBGTKP-UHFFFAOYSA-N;132.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171816;MM171816;CNCC(C)C(O)CO;QESOXFFQTAQOGP-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171817;MM171817;CNCC(C)C(O)CF;UDAUJCZJZFXKHO-UHFFFAOYSA-N;135.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171818;MM171818;CNCC(C)C(F)CN;AUSGCZBUJDZVSS-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171819;MM171819;CCC(N)C(O)CNC;OEVPDGGUHLUDNA-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171820;MM171820;CNCC(O)C(N)CN;FTIFRHRJRJRFQZ-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171821;MM171821;CNCC(O)C(N)CO;XPWCSUZQOBYIAI-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171822;MM171822;CCC(O)C(O)CNC;MBHWQBHYZJVIKG-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171823;MM171823;CNCC(O)C(O)CN;GPSAEVBPXHYMOG-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171824;MM171824;CNCC(O)C(O)CO;QGRSTVXBRQIIPF-UHFFFAOYSA-N;135.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171825;MM171825;CNCC(O)C(O)CF;UVFKKQRAYSILJD-UHFFFAOYSA-N;137.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171826;MM171826;CCC(F)C(O)CNC;XRBQWPMBEYDLCC-UHFFFAOYSA-N;135.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171827;MM171827;CNCC(O)C(F)CO;UJDMHEOGLDLIHG-UHFFFAOYSA-N;137.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171828;MM171828;CCC(C)C(F)CNC;LJGNHWASCIZDFD-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171829;MM171829;CNCC(F)C(C)CF;ROKLLAIQKOSTQK-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171830;MM171830;CCC(C)C(C)COC;BCUYBJKERRIVDV-UHFFFAOYSA-N;130.23;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171831;MM171831;COCC(C)C(C)CN;JXFPARSUGUJDQN-UHFFFAOYSA-N;131.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171832;MM171832;COCC(C)C(C)CO;VQDMQRZEMRXQLR-UHFFFAOYSA-N;132.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171833;MM171833;CCC(N)C(C)COC;WRLGADLOXRIVCN-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171834;MM171834;COCC(C)C(N)CN;DYKWTONCVXEBGY-UHFFFAOYSA-N;132.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171835;MM171835;COCC(C)C(N)CO;NPRHSGSVSVTACX-UHFFFAOYSA-N;133.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171836;MM171836;COCC(C)C(N)CF;MRUKHIDFJBVUHQ-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171837;MM171837;CCC(O)C(C)COC;RBMSMTSTLDUWHZ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171838;MM171838;CCC(F)C(C)COC;OCFXFDKPXSFYKI-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171839;MM171839;COCC(C)C(F)CF;KZCBPNLARPCZFQ-UHFFFAOYSA-N;138.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171840;MM171840;COCC(N)C(C)CF;SBDQTZAAYBZIQL-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171841;MM171841;COCC(N)C(N)CN;RQRJBWMPVOKMBU-UHFFFAOYSA-N;133.2;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171842;MM171842;COCC(N)C(N)CO;LIRGPPNZMQCDMM-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171843;MM171843;COCC(N)C(F)CN;GILLXCOTLWUYRP-UHFFFAOYSA-N;136.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171844;MM171844;CCC(C)C(O)COC;YRDHBHCITMUYEX-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171845;MM171845;COCC(O)C(C)CN;JTYLHTKPAVCALY-UHFFFAOYSA-N;133.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171846;MM171846;CCC(N)C(O)COC;WNTGMLGHXGNCFU-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171847;MM171847;COCC(O)C(N)CN;SDJCXOMTSWIHGF-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171848;MM171848;COCC(O)C(N)CO;YNZDYJPLFGADBH-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171849;MM171849;CCC(O)C(O)COC;ZIPMVPYEDWTTCR-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171850;MM171850;COCC(O)C(O)CN;RYGVIHHNNYWMPD-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171851;MM171851;COCC(O)C(O)CO;ZBSLONNAPOEUFH-UHFFFAOYSA-N;136.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171852;MM171852;COCC(O)C(O)CF;HNHAWCGVHTVQLI-UHFFFAOYSA-N;138.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171853;MM171853;COCC(O)C(F)CN;QEHHBGVBINYHSY-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171854;MM171854;COCC(O)C(F)CO;LJOXINMDZGPQCC-UHFFFAOYSA-N;138.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171855;MM171855;COCC(O)C(F)CF;GMUNYNMRBUQBFL-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171856;MM171856;COCC(F)C(O)CF;VJTMBZKJFZMFOP-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171857;MM171857;COCC(F)C(F)CO;ZXWPYCVSDOLURU-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171858;MM171858;CCCC(C)C(C)NC;PIESALVESWDRAK-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171859;MM171859;CNC(C)C(N)CCF;CYPYLTZDEQBTSQ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171860;MM171860;CCCC(O)C(C)NC;KFIMVMILWXGPIO-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171861;MM171861;CNC(C)C(O)CCO;KTRYVTXXSAYWLX-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171862;MM171862;CCCC(F)C(C)NC;UULXLWKYICZMIN-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171863;MM171863;CNCC(N)C(C)NC;XJKBEMSWTINCPE-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171864;MM171864;CNCC(O)C(C)NC;VBQSRPVFXHOGRC-UHFFFAOYSA-N;132.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171865;MM171865;CNC(C)C(C)COC;IAMWWRGFVNCNAC-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171866;MM171866;CCCC(C)C(C)OC;SPQMXSAGHRUFLA-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171867;MM171867;CCCC(N)C(C)OC;DTUMODUCAFKGEG-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171868;MM171868;COC(C)C(N)CCF;JEMXALZQECHTLP-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171869;MM171869;COC(C)C(O)CCO;QFSYVGILNKSXJD-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171870;MM171870;CNCC(C)C(C)OC;CNPWLICQNASMQS-UHFFFAOYSA-N;131.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171871;MM171871;CNCC(O)C(C)OC;UCRHGYYJYCDYIY-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171872;MM171872;COCC(N)C(C)OC;VELPXTQXEARAQD-UHFFFAOYSA-N;133.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171873;MM171873;CCNC(C)C(C)CC;WKHYDNYWGQRCPY-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171874;MM171874;CCNC(C)C(C)CO;TULOTEBKEJOOPZ-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171875;MM171875;CCNC(C)C(C)CF;LJIPHFCZVYFZTC-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171876;MM171876;CCNC(C)C(N)CN;QIVDZEWCJCXKCJ-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171877;MM171877;CCNC(C)C(N)CF;SANNCMIBBAFZMF-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171878;MM171878;CCNC(C)C(O)CC;MNAVDMOBOKZEOU-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171879;MM171879;CCNC(C)C(O)CN;SJXMARPERNSYJM-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171880;MM171880;CCNC(C)C(F)CC;TWLQISPFOISINV-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171881;MM171881;CCNC(C)C(F)CN;MCKKHSAARYECDQ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171882;MM171882;CCNC(C)C(C)OC;JUADUWHGTBAXOH-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171883;MM171883;CCOC(C)C(C)CC;CVBGSNWIQUGRMN-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171884;MM171884;CCOC(C)C(N)CC;HNTNBDYKNXAVNG-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171885;MM171885;CCOC(C)C(N)CO;AUOCVTXCWBSPIX-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171886;MM171886;CCOC(C)C(N)CF;PVBVAGVGVUKLGK-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171887;MM171887;CCOC(C)C(O)CC;HOZSQNYECOPBST-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171888;MM171888;CCOC(C)C(O)CO;DHRSFYXUKPCVNV-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171889;MM171889;CCOC(C)C(O)CF;GWFSGRHHZQASIJ-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171890;MM171890;CCOC(C)C(F)CN;ZPHYUDRSYACLAB-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171891;MM171891;CCOC(C)C(F)CO;JIIPYLGRDOAPDD-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171892;MM171892;CCOC(C)C(C)NC;AKHTYVVYMBUSCD-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171893;MM171893;CCCC(C)N(C)CC;CVROJDQHTFJRIE-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171894;MM171894;CCN(C)C(C)CCN;UVQPZTDUOSENTP-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171895;MM171895;CCN(C)C(C)CCF;CWMXXCYORSVKDJ-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171896;MM171896;CCN(C)C(C)CNC;SQHHVCJBAPCGJK-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171897;MM171897;CCN(C)C(C)COC;HQXBNFQZUDOKPN-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171898;MM171898;CCCN(C)C(C)CC;XKJWRRAAZQYJGC-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171899;MM171899;CCC(C)N(C)CCN;BKUIZZSXNHURBW-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171900;MM171900;CCC(C)N(C)CCO;WGZSNQQEBQLUIN-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171901;MM171901;CCCN(C)C(C)CN;QVZHKNQKHDRMBN-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171902;MM171902;CC(CN)N(C)CCN;ICIQHZTYDMDNNM-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171903;MM171903;CC(CN)N(C)CCF;BDEADVFCYHULMN-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171904;MM171904;CCCN(C)C(C)CO;GGYHNBNLOYPCIL-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171905;MM171905;CC(CO)N(C)CCN;WXMCJRSACWKSBB-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171906;MM171906;CC(CO)N(C)CCO;KOVQQOMROOKART-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171907;MM171907;CCCN(C)C(C)CF;SQJNGSBGMMVMHX-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171908;MM171908;C=CCC(C)C(C)CC;WYXWIZXLVMWIDQ-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171909;MM171909;CCC(C)C(C)CC#N;USMDOQQDJSNYNO-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171910;MM171910;C=CCC(C)C(C)CN;YYGTUKUTCRDDEZ-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171911;MM171911;CN=c1oc(=O)cnn1O;JGGQZCRCLTXWCG-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171912;MM171912;CC(CF)C(C)CC#N;WXWKZVXVKFZJLS-UHFFFAOYSA-N;129.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171913;MM171913;C=CCC(C)C(N)CC;QJMJJWBAFICSEA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171914;MM171914;CN=C(OC)N(C)NC=O;DJRPBOYCBYWGBC-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171915;MM171915;C=CCC(C)C(O)CO;CWQZRMOPZOFXDH-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171916;MM171916;CC(CC=O)C(O)CO;PWPNPERBZOYQEX-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171917;MM171917;CCC(F)C(C)CC=O;AGGIUIUFLCFCAV-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171918;MM171918;CCC(F)C(C)CC#N;HZAHBKPIBICEJW-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171919;MM171919;CC(CC=O)C(F)CF;ZZBXVASKPJMDJI-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171920;MM171920;C=CCC(N)C(C)CC;BIYFXBWSRPDQHD-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171921;MM171921;C=CCC(N)C(N)CN;NTRKWRUVJWWYMM-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171922;MM171922;C=CCC(N)C(N)CO;XKRSSCHGUIJACS-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171923;MM171923;C=CCC(N)C(O)CN;FUMREJJCWLONOC-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171924;MM171924;C=CCC(N)C(O)CO;XTNKWONONLMNMX-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171925;MM171925;C=CCC(N)C(O)CF;TULOTSLEGIARBX-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171926;MM171926;C=CCC(N)C(F)CN;AQPDUZYDJSGOAY-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171927;MM171927;C=CCC(N)C(F)CO;VSWYLXBVBDZPIA-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171928;MM171928;CCC(C)C(O)CC#N;KHZNYORIBXRLAD-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171929;MM171929;C=CCC(O)C(C)CO;XIOWAZGQENSIGN-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171930;MM171930;CC(CF)C(O)CC#N;JNVIBBYYUVMNMW-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171931;MM171931;C=CCC(O)C(N)CF;DHZTXMZJWZLZSJ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171932;MM171932;CCC(O)C(O)CC#N;NFMIZWAHJQDQBH-UHFFFAOYSA-N;129.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171933;MM171933;O=CCC(O)C(O)CO;ASJSAQIRZKANQN-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171934;MM171934;N#CCC(O)C(O)CO;RHBRWZCXFCBLLB-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171935;MM171935;O=CCC(O)C(O)CF;BTKSQCMJDSMIJO-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171936;MM171936;N#CCC(O)C(O)CF;REABOTDKHIXVDR-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171937;MM171937;CCC(F)C(O)CC#N;OECZNQOOAFMLKL-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171938;MM171938;C=CCC(O)C(F)CN;KWBAEFIBTKKXOR-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171939;MM171939;C=CCC(O)C(F)CO;IQOZJMSLLARHEO-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171940;MM171940;O=CCC(O)C(F)CO;QGMHLWRUEVAOBY-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171941;MM171941;N#CCC(O)C(F)CO;QSBRKSSRFAJEGF-UHFFFAOYSA-N;133.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171942;MM171942;CCC(C)C(F)CC=O;BYEDWUXUVCOKAK-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171943;MM171943;C=CCC(F)C(C)CO;DMDHILIJMUVZLL-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171944;MM171944;C=CCC(F)C(C)CF;MUDZGVRZKMBLIM-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171945;MM171945;CC(CF)C(F)CC=O;KIPIEMYWDFZGQO-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171946;MM171946;C=CCC(F)C(N)CC;CHSYNJLKZUSWOC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171947;MM171947;C=CCC(F)C(N)CN;GHLRGVJCKQJBPV-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171948;MM171948;C=CCC(F)C(N)CO;XLNNURYVUKKRLK-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171949;MM171949;C=CCC(F)C(O)CC;JRGJRBPZYAJDKQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171950;MM171950;C=CCC(F)C(O)CN;HSAHJHRXNZHNCZ-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171951;MM171951;CCC(F)C(F)CC=O;XMKGRALXURBZQP-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171952;MM171952;C=CCC(C)C(C)NC;IMIHEUCXFVZLFS-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171953;MM171953;CNC(C)C(C)CC=O;WRDQNJNYSPQEFE-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171954;MM171954;CNC(C)C(O)CC#N;MGBJUBALERFEST-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171955;MM171955;C=CCC(F)C(C)NC;WSKNZHRKNDHRID-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171956;MM171956;COC(C)C(C)CC=O;BGJFABKZTXEVTJ-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171957;MM171957;COC(C)C(O)CC=O;SWMRKDKFEBZZOU-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171958;MM171958;CCC(C)C(C)NC=N;IKOGZTOOEWUXRZ-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171959;MM171959;C#Cc1cc(NN=C)no1;QZVMDLBKYLSLBT-UHFFFAOYSA-N;135.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171960;MM171960;CC(CN)C(C)NC=N;HJYNXBOCLYNJMZ-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171961;MM171961;CCC(N)C(C)NC=O;MEWDEVHUJBHAOR-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171962;MM171962;CC(NC=N)C(N)CN;KHRWXAAKQYPGDP-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171963;MM171963;CC(NC=O)C(N)CN;VMTIOBFBVRANGU-UHFFFAOYSA-N;131.18;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171964;MM171964;CC(NC=N)C(N)CO;IRJROCCFNQBGAE-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171965;MM171965;CC(NC=O)C(N)CO;OKYPWRUQEFBFFI-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171966;MM171966;CCC(O)C(C)NC=N;BTZURUKWUHJRDQ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171967;MM171967;CCC(O)C(C)NC=O;OUACOJMVXLWIQB-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171968;MM171968;CC(NC=N)C(O)CN;JHRJYEMDUVOPJO-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171969;MM171969;CC(NC=O)C(O)CN;ABMGMDNECPHSIM-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171970;MM171970;CC(NC=O)C(O)CO;NQKOCGHJGVEZTJ-UHFFFAOYSA-N;133.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171971;MM171971;CC(NC=O)C(O)CF;LQEMIMAYHPDMQK-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171972;MM171972;CCC(F)C(C)NC=N;LLAZTYXUJFYTRP-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171973;MM171973;C=COc1c[nH]c(NC)n1;MLSNBOZRAPGHJT-UHFFFAOYSA-N;139.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171974;MM171974;CC(NC=O)C(F)CO;SSXGVYJMDALGKO-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171975;MM171975;CC(NC=N)C(F)CF;BQNLSZQKGCTUNS-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171976;MM171976;C=NNC(C)C(O)CN;KTPYZQOOFOPQSD-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171977;MM171977;CN=c1nc(CN)on1O;ZMXFTQWHGFMULQ-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171978;MM171978;C=NNC(C)C(F)CF;ZZFCIGDOSSDHQM-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171979;MM171979;CNC(C)C(C)NC=O;JXHYDPZNTZJWHJ-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171980;MM171980;C=COC(C)C(C)CC;QCKPNEHPXILSCT-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171981;MM171981;CCC(C)C(C)OC=O;TUGMPQQAYNOKOK-UHFFFAOYSA-N;130.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171982;MM171982;CC(CO)C(C)OC=O;ADQMSVAGLPYIRJ-UHFFFAOYSA-N;132.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171983;MM171983;C=COC(C)C(N)CC;AUWGRJOWMLHBKE-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171984;MM171984;C=COC(C)C(N)CN;WYGUAVRAKNBOJV-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171985;MM171985;CC(OC=O)C(N)CN;QASVMECMCOJVBG-UHFFFAOYSA-N;132.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171986;MM171986;C=COC(C)C(N)CO;FKWXNXNGQBVXTL-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171987;MM171987;CC(OC=O)C(N)CO;MVSUOPJWJUBQNA-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171988;MM171988;C=COC(C)C(O)CC;UPVRXLZEQNQJAH-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171989;MM171989;C=COC(C)C(O)CN;KPNBIKKZCNGPTB-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171990;MM171990;CC(OC=O)C(O)CN;ZXJZUXCDLPZCBU-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171991;MM171991;C=COC(C)C(O)CO;WIVSCMRBDAAWDT-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171992;MM171992;C=COC(C)C(O)CF;ONYIEBFLBORQRJ-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171993;MM171993;CC(OC=O)C(O)CF;ASQUQSFSMBUCEW-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171994;MM171994;C=COC(C)C(F)CC;MKSQZGKAUJSWRV-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171995;MM171995;C=COC(C)C(F)CN;CQISVIUWKSJADX-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171996;MM171996;CC(OC=O)C(F)CN;JDZGSSVKDTYEKH-UHFFFAOYSA-N;135.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171997;MM171997;C=COC(C)C(F)CO;CKVDSWQMMOARFL-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171998;MM171998;CC(OC=O)C(F)CO;KJHGKZWPHNBILE-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM171999;MM171999;CC(OC=O)C(F)CF;LUPRFAZXFBVABW-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172000;MM172000;C=NOC(C)C(C)CC;RTFRYKSLVHNKFV-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172001;MM172001;CN=c1nc(CF)on1O;AIIJNEPMTPIWRJ-UHFFFAOYSA-N;147.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172002;MM172002;C=NOC(C)C(N)CN;GBWFXLBDKRTNGN-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172003;MM172003;C=NOC(C)C(N)CO;TVFDMBDHXFHWGI-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172004;MM172004;C=Cc1nc(=NC)n(O)o1;JRAACMKQMJCVIS-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172005;MM172005;C=NOC(C)C(O)CN;GBTLCWQITDPTMP-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172006;MM172006;C#CC(O)C1CN1CCC;VCMWRLLRBVFKLI-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172007;MM172007;C=NOC(C)C(F)CC;JVGGKFJDSLFMRP-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172008;MM172008;C=COC(C)C(C)OC;XJJLKBPUFZOAFL-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172009;MM172009;COC(C)C(C)OC=O;LADARHAWOXLEEO-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172010;MM172010;C=NOC(C)C(C)OC;NNNDGWKBSMCWMX-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172011;MM172011;C=CCC(C)N(C)CC;BFNWSNAIJWWGIK-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172012;MM172012;C=CCN(C)C(C)CC;GVGOUIWXTYDWMP-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172013;MM172013;C=CCN(C)C(C)CO;CPQBWFLFOHUPSD-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172014;MM172014;C#CCC1NC1C(O)C#C;MFLHICQQJSYHPB-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172015;MM172015;CCC(C)N(C)NC=N;PWAJQCSZYCLACM-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172016;MM172016;CC(CO)N(C)NC=N;OGHNVDGCDRWQSZ-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172017;MM172017;C#CCN1CC1C(O)C#C;GHECPWYMTMRNTK-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172018;MM172018;C#CCC(C)C(C)CC;WTZUQUWCAVWKSN-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172019;MM172019;C#CCC(C)C(C)CN;CHXFLJLOTAWUIO-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172020;MM172020;CC=NNCCNNC=O;WZMSIEFISYNVAZ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172021;MM172021;C#CCC(C)C(N)CC;XVFYJVFDGLWCFE-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172022;MM172022;CC1ON=CC1O;OIGWEXOBPNEXRR-UHFFFAOYSA-N;101.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172023;MM172023;C#CCC(C)C(F)CC;DNIXEUHZZHHTKU-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172024;MM172024;C#CCC(C)C(F)CN;VAYPIEJICXPBFD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172025;MM172025;C#CCC(N)C(C)CC;YVEOMKIXJCWMEZ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172026;MM172026;C#CCC(N)C(C)CF;ANYSJCBDCMYHPF-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172027;MM172027;C#CCC(N)C(O)CN;SYNGDYIOKWDJQC-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172028;MM172028;C#CCC(N)C(O)CO;HNIZHOAEOHFGCU-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172029;MM172029;CN=c1ncon1O;HMOWIVRTNOVMCL-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172030;MM172030;C#CCC(O)C(N)CN;XXDHPYPTTWBFSF-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172031;MM172031;C#CCC(O)C(N)CO;JZDOJBXHQLRMND-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172032;MM172032;C#CCC(O)C(O)CN;RXZWEEDPQRYPSU-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172033;MM172033;C#CCC(O)C(O)CO;VOUGUJGKACFJSQ-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172034;MM172034;C#CCC(O)C(F)CN;FUPWFGAGTBPPPJ-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172035;MM172035;C#CCC(O)C(F)CF;DGZZGRQBOCEMHQ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172036;MM172036;C#CCC(F)C(C)CN;BIFIITNSDNPSFG-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172037;MM172037;C#CCC(F)C(C)CF;LPLRZDXFMDKDHU-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172038;MM172038;C#CCC(F)C(O)CC;VMYVTNUADOZNIP-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172039;MM172039;C#CCC(F)C(C)NC;JUQMXBJPMUBYHB-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172040;MM172040;C#CCC(O)C(C)OC;TUOSDANESLKAJC-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172041;MM172041;C#CCC(C)N(C)CC;MDKOKNZMUSBEEN-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172042;MM172042;C#CCN(C)C(C)CC;CJRQAPHWCGEATR-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172043;MM172043;C=CC(C)C(C)CCN;SVGGRYIUMVTNJT-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172044;MM172044;C=CC(O)C(O)C=NN;YZAWDLGTDHEQOD-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172045;MM172045;C=CC(C)C(C)CCF;PKCNAXJAARNXCE-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172046;MM172046;CCCC(C)C(C)C=O;JDLLXDLGRPABIC-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172047;MM172047;CCCC(C)C(C)C#N;SFOLVKACLAUJSD-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172048;MM172048;N=c1nc(CN)on1O;WHMSOMYFNUPRAE-UHFFFAOYSA-N;130.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172049;MM172049;CC(C=O)C(C)CCF;ZDNOGEQXRLJGAW-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172050;MM172050;C=CC(N)C(C)CCC;FVYYBIOQERMNSG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172051;MM172051;C=CC(N)C(C)CCO;VIBVXSVJCVKXEY-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172052;MM172052;N=c1nnc(N)nn1O;LZIYEECAOCRQOF-UHFFFAOYSA-N;128.1;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172053;MM172053;CC(CCO)C(O)C=O;QVAFVOVSGRQPTI-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172054;MM172054;CC(CCF)C(O)C=O;UFGLGLJRDWNQBF-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172055;MM172055;CC(CCF)C(O)C#N;GGKZAHXCUFXRPN-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172056;MM172056;C=CC(F)C(C)CCC;BPTVRFJXSGIQPW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172057;MM172057;C=CC(F)C(C)CCN;GWXHSMACDNKOQP-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172058;MM172058;CCCC(C)C(F)C=O;HMXRBRQSUDVYHZ-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172059;MM172059;CCCC(C)C(F)C#N;UAZMWYPUVGBALM-UHFFFAOYSA-N;129.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172060;MM172060;CC(CCO)C(F)C=O;FQODUFHZHAQELZ-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172061;MM172061;CC(CCF)C(F)C#N;BHUNTQXTRMAGGF-UHFFFAOYSA-N;133.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172062;MM172062;C=CC(C)C(N)CCC;BDBABVLJWYTBNV-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172063;MM172063;C=CC(C)C(N)CCF;ONRIDICTALVQTQ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172064;MM172064;C=CC(N)C(N)CCN;QYUGUIRXEUENFT-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172065;MM172065;C=CC(N)C(N)CCF;KIYUCBONVLARDZ-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172066;MM172066;C=CC(O)C(N)CCC;FGTCFILVRBGKAK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172067;MM172067;C=CC(O)C(N)CCN;YKARQINQVMQYNX-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172068;MM172068;C=CC(O)C(N)CCF;PAUXECLRKFSFBP-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172069;MM172069;CN=c1nc(C)on1O;NSIJPSHFPYBJSB-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172070;MM172070;C=CC(C)C(O)CCN;BLAWIVMDVJPPSB-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172071;MM172071;CCCC(O)C(C)C=O;YBBDWUNMKJLCJP-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172072;MM172072;CCCC(O)C(C)C#N;ZYMKGDCFHFDTAN-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172073;MM172073;CC(C=O)C(O)CCO;KMMOALYDBOFFGV-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172074;MM172074;CC(C#N)C(O)CCO;XMYUYUAGMSYXSI-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172075;MM172075;C=CC(N)C(O)CCN;MLOKDDPBJIRYIN-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172076;MM172076;C=CC(N)C(O)CCO;LIPFWYHBBIXFMN-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172077;MM172077;C=CC(N)C(O)CCF;WFJZUDPNDNAOEH-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172078;MM172078;N#CC(O)C(O)CCO;PHBHYGOMXOULBU-UHFFFAOYSA-N;131.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172079;MM172079;O=CC(F)C(O)CCO;VAPCNLVDTMPWIY-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172080;MM172080;C=CC(C)C(F)CCC;PIGOBFOHDAGJBP-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172081;MM172081;C=CC(C)C(F)CCN;HMULFYFZIBJXPN-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172082;MM172082;C=CC(C)C(F)CCF;JZVZRXLYLZWBHA-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172083;MM172083;CCCC(F)C(C)C=O;UULGYUQLLAHLGO-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172084;MM172084;C=CC(N)C(F)CCC;QAWHPUXCJCOWSI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172085;MM172085;C=CC(N)C(F)CCF;LGBDYDJNMHESNZ-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172086;MM172086;C=CC(O)C(F)CCC;GDTDMXLMUOSVKN-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172087;MM172087;C=CC(O)C(F)CCF;SOOUZBSNHRRLLH-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172088;MM172088;O=CC(O)C(F)CCF;ZWQSQAGYLRALMC-UHFFFAOYSA-N;138.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172089;MM172089;C=CC(C)C(C)CNC;JZDFOXJMBCLETA-UHFFFAOYSA-N;127.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172090;MM172090;CNCC(C)C(C)C=O;VJRFAEZEWZSOCQ-UHFFFAOYSA-N;129.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172091;MM172091;CNCC(C)C(O)C=O;ZWUFIUWBPKHGPQ-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172092;MM172092;C=CC(C)C(N)CNC;MTBPDAQZVGZDMT-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172093;MM172093;C=CC(N)C(N)CNC;DAEBWKULIZCUEY-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172094;MM172094;C=CC(O)C(N)CNC;NWAGQIPVJKWYFL-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172095;MM172095;CNCC(O)C(C)C=O;RWZDZEAKSRWBBR-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172096;MM172096;C=CC(N)C(O)CNC;MJXJFTQQUWUUBW-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172097;MM172097;C=CC(O)C(O)CNC;WLEDKHMRXFXNIF-UHFFFAOYSA-N;131.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172098;MM172098;C=CC(F)C(O)CNC;JEQKHFBRALCFCC-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172099;MM172099;C=CC(C)C(F)CNC;OUINTPJQDYOSFS-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172100;MM172100;CNCC(F)C(C)C=O;KJPONZXFFFSZEY-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172101;MM172101;COCC(C)C(C)C=O;PVKYMUJYQZSLNR-UHFFFAOYSA-N;130.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172102;MM172102;COCC(C)C(C)C#N;ZVSAKOLROAMDEY-UHFFFAOYSA-N;127.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172103;MM172103;C=CC(O)C(C)COC;YZPLBRFJOLOPMJ-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172104;MM172104;COCC(C)C(O)C=O;YSXVOJUTXPANFU-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172105;MM172105;C=CC(N)C(O)COC;KVTNHJBDLZHNHP-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172106;MM172106;C=CC(O)C(O)COC;ALZRLEHBMBWGMQ-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172107;MM172107;COCC(O)C(O)C=O;DKECSTUFCCTWLZ-UHFFFAOYSA-N;134.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172108;MM172108;C=CC(N)C(F)COC;HCIRZCNIDYLIKZ-UHFFFAOYSA-N;133.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172109;MM172109;COCC(F)C(F)C#N;GGVAUYIIAKKMMZ-UHFFFAOYSA-N;135.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172110;MM172110;C=CC(C)C(C)NCC;RNSURMGNWGCXDZ-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172111;MM172111;CCNC(C)C(C)C=O;CEXBFFXSORXUDE-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172112;MM172112;C=CC(N)C(C)NCC;BFZQRVFQOVHYOD-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172113;MM172113;CCNC(C)C(O)C=O;JUFUZIRDKWBMDZ-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172114;MM172114;C=CC(F)C(C)NCC;YNRVWLJFFWRHCF-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172115;MM172115;C=CC(C)C(C)OCC;KRXVRUAZUYWKII-UHFFFAOYSA-N;128.22;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172116;MM172116;CCOC(C)C(C)C=O;CLWJCZGYNDVUFA-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172117;MM172117;CCOC(C)C(C)C#N;VZTOQXNZBBGEIO-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172118;MM172118;C=CC(N)C(C)OCC;GPUSPZGYNMPLOU-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172119;MM172119;CCOC(C)C(F)C=O;POHOLWFCWSQIHY-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172120;MM172120;CCCC(C)N(C)C=N;MLZVDFXQWZWWTG-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172121;MM172121;CC(CCF)N(C)C=N;OUWBVJTVSDISES-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172122;MM172122;CCCC(C)N(C)C=O;AVQLSTJVJCVAET-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172123;MM172123;NN=c1nncnn1O;VMSZFADUAMLSRO-UHFFFAOYSA-N;128.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172124;MM172124;CC(CCF)N(C)C=O;YJYYSDKQKODSJH-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172125;MM172125;CCCC(C)N(N)C=N;IJFXKKCOIICCJL-UHFFFAOYSA-N;129.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172126;MM172126;CC(CCO)N(N)C=N;QIYKHPOFNXAIAE-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172127;MM172127;CCCC(C)N(N)C=O;JSYKGQHPZQWHOR-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172128;MM172128;CC(CCF)N(N)C=O;KPJKWZAKADGECC-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172129;MM172129;CCCC(C)N(O)C=N;ACMWDCPIRJSUAH-UHFFFAOYSA-N;130.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172130;MM172130;CC(CCN)N(O)C=N;HDGNMLSYLVQMHG-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172131;MM172131;CNCC(C)N(C)C=N;UMADNKODKDXUMG-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172132;MM172132;CNCC(C)N(C)C=O;GDJMVOOPCZCAGD-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172133;MM172133;CNCC(C)N(N)C=N;FVKOJFMMYMSNTO-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172134;MM172134;CNCC(C)N(O)C=N;LMPVCGULXMTWDI-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172135;MM172135;COCC(C)N(N)C=O;IWCVKTSYZUNQHU-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172136;MM172136;C=NN(C)C(C)CCC;NFIRRLTUYTYRAW-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172137;MM172137;C=NN(C)C(C)CCN;HPXSCFWROCXOMM-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172138;MM172138;C=NN(C)C(C)CCF;XGQIIPDMLMAGDT-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172139;MM172139;C=CC(C)N(C)CCC;KCOPEJKNSFAQRP-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172140;MM172140;C=CC(C)N(C)CCN;CEYGBHSCOYCWFO-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172141;MM172141;C=CC(C)N(C)CCO;TVYUEFWAUGHHDI-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172142;MM172142;CCCN(C)C(C)C#N;SYOFHTCURPUNJR-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172143;MM172143;CC(C=NN)CNNC=O;QPAIBMSNNPOYBK-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172144;MM172144;CN(C=N)N(C)CCN;OCRFMZGHEKUIOJ-UHFFFAOYSA-N;130.2;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172145;MM172145;CN(C=N)N(C)CCO;BDQMDGWHPOYHHJ-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172146;MM172146;CN(C=O)N(C)CCN;QNFZOYCXINSDKM-UHFFFAOYSA-N;131.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172147;MM172147;CN(C=O)N(C)CCF;WJGPZJBDKGBYKD-UHFFFAOYSA-N;134.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172148;MM172148;C=CCC(C)C(C)C=C;OUDNTEVXUNFGQW-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172149;MM172149;C=CC(C)C(C)CC=O;YXNLMIAWTBIGKS-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172150;MM172150;C=CCC(C)C(C)C=O;GFPHZUCRZJYIPX-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172151;MM172151;C=CCC(C)C(C)C#N;XWAYABGMBPZXFD-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172152;MM172152;CC(C=O)C(C)CC=O;TWYNGQBEEVFDJH-UHFFFAOYSA-N;128.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172153;MM172153;CC(C#N)C(C)CC=O;RSXWWJRWQFCUMH-UHFFFAOYSA-N;125.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172154;MM172154;C=CCC(C)C(N)C=C;KJVIVNPDSKWCFA-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172155;MM172155;C=CCC(C)C(O)C#N;CHJQKPOSCIWGFQ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172156;MM172156;CC(CC=O)C(O)C=O;GNAKERGXIMMILR-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172157;MM172157;CC(CC#N)C(O)C=O;LBQFZNMGSNKDBI-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172158;MM172158;CC(CC=O)C(O)C#N;ZGYDSNBAAJBZEZ-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172159;MM172159;C=CCC(C)C(F)C#N;JMHDFYKTRCNDLP-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172160;MM172160;CC(CC=O)C(F)C#N;KXPPPHQUPMRBJR-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172161;MM172161;C=CCC(N)C(C)C=C;XHIXNJDZINFSOR-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172162;MM172162;C=CCC(N)C(O)C=C;ASQZCGIYZJKXMZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172163;MM172163;C=CCC(N)C(F)C=C;FKKHOILVBJJNLD-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172164;MM172164;C=CCC(O)C(C)C#N;WWZFGOBOJIDQIV-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172165;MM172165;O=CCC(O)C(O)C=O;DIEJEQGKKPURKN-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172166;MM172166;N#CCC(O)C(O)C=O;KJOYCXYKPBOSJS-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172167;MM172167;N#CC(O)C(O)CC=O;BHMSJBKRLDHQLD-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172168;MM172168;C=CCC(O)C(F)C=C;JPQQRUBGOUMPCQ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172169;MM172169;O=CCC(O)C(F)C=O;BLGGIULOBJTUGY-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172170;MM172170;N#CC(F)C(O)CC=O;LWSAMJIEEBLOIN-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172171;MM172171;C=CC(C)C(F)CC=O;CTVMRHGZFULRCF-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172172;MM172172;C=CCC(F)C(C)C=O;GFYZIMJLJCIULY-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172173;MM172173;CC(C=O)C(F)CC=O;DBGCBRDAVLBKLR-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172174;MM172174;C=CCC(F)C(N)C=C;WVCZTYIGIUYGHI-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172175;MM172175;C=CCC(F)C(O)C=C;LTSUNMPUQIBNKT-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172176;MM172176;O=CCC(F)C(O)C=O;UNRZRJGUBAZIAF-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172177;MM172177;N#CC(O)C(F)CC=O;CYPNQPBPPFCVQH-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172178;MM172178;N#CCC(F)C(O)C=O;NUOQRJYFJUOSQC-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172179;MM172179;C=CC(F)C(F)CC#N;NQDKWWAJNLEOLC-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172180;MM172180;CC=CC(O)C(O)C=NN;CJFGMJMMJSFEIR-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172181;MM172181;C=CCc1nc(=N)n(O)o1;FFQJNHOYJCAZOE-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172182;MM172182;C=CC(N)C(C)NC=N;XYWIKQQGVIEPAO-UHFFFAOYSA-N;127.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172183;MM172183;C=CC(N)C(C)NC=O;ZQEYXTKFRMVXFI-UHFFFAOYSA-N;128.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172184;MM172184;C=CC(O)C(C)NC=O;PRECZMNVAGABMG-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172185;MM172185;CC(NC=O)C(O)C=O;HGGWXWRNFMIBRE-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172186;MM172186;CC(NC=O)C(O)C#N;WZJVOEYZCAEOAZ-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172187;MM172187;C=CC(F)C(C)NC=N;LCHFLCWRQXHGQQ-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172188;MM172188;C=CC(F)C(C)NC=O;GWWRPZZJAVZHKE-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172189;MM172189;C#CCc1nc(=N)n(O)o1;GYPZDWWJWKHDHS-UHFFFAOYSA-N;139.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172190;MM172190;C=CC(F)C(C)NN=C;ZWYBHLANMXYZKH-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172191;MM172191;CC(C)c1nc(=N)n(O)o1;MIGAHLHNZPIAKW-UHFFFAOYSA-N;143.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172192;MM172192;C=COC(C)C(C)C=C;WBIIHCASKGRUQD-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172193;MM172193;C=CC(C)C(C)OC=O;BNYPUBOTCVVAHF-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172194;MM172194;C=COC(C)C(C)C=O;DINHBRJQKHPAJS-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172195;MM172195;CC(C=O)C(C)OC=O;WKSWOPBTBBHHSI-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172196;MM172196;C=COC(C)C(N)C=C;DTBQYJWHPSDYNP-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172197;MM172197;C=COC(C)C(O)C=C;ZRBRTUBWGMPKSK-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172198;MM172198;C=COC(C)C(F)C=C;IJLOQXLCJKZGSY-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172199;MM172199;C=COC(C)C(F)C=O;CSPNIUSKEIUZTH-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172200;MM172200;C=COC(C)C(F)C#N;PARBBMPTXCQRPB-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172201;MM172201;CC(OC=O)C(F)C#N;ZPWCRRVANOYDGJ-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172202;MM172202;C=CC(C)C(C)ON=C;FTQGQXJDERRESK-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172203;MM172203;NNC(=NC(=O)CO)NO;FIALUPONHHZMPG-UHFFFAOYSA-N;148.12;-2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172204;MM172204;C=NOC(C)C(C)C#N;MCHBIZCBGOBANI-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172205;MM172205;CCC1(NC(=O)NN)CC1;ILELOMICOQURMI-UHFFFAOYSA-N;143.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172206;MM172206;C=NOC(C)C(F)C#N;ZSAUQBCAJXBUCK-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172207;MM172207;C=CCC(C)N(C)C=O;FZMAZRAVZBAIGQ-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172208;MM172208;C=C(C(=O)NN)C(C)OC;RCLQOQSRSYFWQR-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172209;MM172209;C=CCC(C)N(C)N=C;RPXCDCQAVGYIMA-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172210;MM172210;C=CCN(C)C(C)C=C;SWZCNALPYIILIJ-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172211;MM172211;CN=C(N)C(=O)C(=O)CF;WUKOKFFDOXJTGH-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172212;MM172212;CC(C=O)N(C)N=CN;DYOGPLBUHAFQBJ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172213;MM172213;CC(C#N)N(C)NC=N;WNOFHYCRQHENDF-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172214;MM172214;CC(C=O)N(C)NC=O;NMKIYNUKXVHKJX-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172215;MM172215;CC(C#N)N(C)NC=O;LJSXSPLFKUQJJR-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172216;MM172216;CN(C=N)N(C)CC=O;MMHKQBBCQOOIGF-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172217;MM172217;CN(C=N)N(C)CC#N;MZKURCIHVWVUKB-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172218;MM172218;CC=C(C)N(C)C(=O)NN;LTTXHDHHHBEJTI-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172219;MM172219;C#CCC(C)C(C)C=C;JMXZWHUGBINGQR-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172220;MM172220;C#CCC(C)C(C)C#N;YVZWBXADXDPCBO-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172221;MM172221;CCC#CCCC(=O)NN;INWUHYPWINIXPP-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172222;MM172222;C#CCC(C)C(F)C=O;BWKRQQPDEWQENA-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172223;MM172223;C#CCC(N)C(C)C=C;SDSBLYVATIXOAH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172224;MM172224;C#CCC(N)C(F)C=C;AECGJNOCFBSFAZ-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172225;MM172225;C#CCC(O)C(O)C=O;RCRPNWZBAXNGGB-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172226;MM172226;C#CCC(O)C(O)C#N;OHJBJXJTQRDDBP-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172227;MM172227;C#CCC(O)C(F)C=C;PIGJMEQWDYWWMC-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172228;MM172228;C#CCC(F)C(C)C=C;INJYDMUOCWJPKR-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172229;MM172229;C#CCC(F)C(O)C=C;AMJKEKJJLHEKHF-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172230;MM172230;C#CCN(C)N(C)C=N;MVNHSEHMWJLAIC-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172231;MM172231;C#CC(C)C(C)CCC;YHRYOWAVSQLBOJ-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172232;MM172232;C#CC(N)C(C)CCN;IOSAKGSYGDVWDD-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172233;MM172233;C#CC(N)C(C)CCO;CVZDSWYPJNUXPV-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172234;MM172234;C#CC(F)C(C)CCC;DVAPQQKUMJYMSG-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172235;MM172235;C#CC(F)C(C)CCO;CCIPRMQTOCSFHE-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172236;MM172236;C#CC(F)C(C)CCF;FWSAUNFLVJPGIK-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172237;MM172237;C#CC(C)C(N)CCC;VIGYDJPVIIDRII-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172238;MM172238;C#CC(C)C(N)CCN;YZNCXWBVWKTXJA-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172239;MM172239;C#CC(C)C(N)CCF;SLYRCGOUHDSXBE-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172240;MM172240;C#CC(N)C(N)CCN;NAAQNXFWGNCKTJ-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172241;MM172241;C#CC(N)C(N)CCF;TVMULQLZJNBCNU-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172242;MM172242;C#CC(F)C(N)CCC;RXOJLCURQKXLPF-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172243;MM172243;Cn1nnn(O)c(=N)c1=N;XYUWWNZPSBXFGU-UHFFFAOYSA-N;142.12;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172244;MM172244;C#CC(C)C(O)CCO;HDFZQLDRYDBBKF-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172245;MM172245;C#CC(N)C(O)CCN;HNWCYOVGSNUNEJ-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172246;MM172246;C#CC(O)C(O)CCN;TVYSTHSNDZZKGB-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172247;MM172247;C#CC(O)C(O)CCO;YIMZJYOMKAYRKA-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172248;MM172248;C#CC(F)C(O)CCN;ZRFKWQUVLDHDAM-UHFFFAOYSA-N;131.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172249;MM172249;C#CC(F)C(O)CCO;VJAUNDAGDZINOG-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172250;MM172250;C#CC(C)C(F)CCN;WKVFHWQJYVHAPK-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172251;MM172251;C#CC(C)C(F)CCO;SPORFVVYNFTTKM-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172252;MM172252;C#CC(C)C(F)CCF;IZYJDJFBLXJNTG-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172253;MM172253;C#CC(O)C(C)CNC;OVRZXSLUCLRUTA-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172254;MM172254;C#CC(C)C(N)CNC;WWFSPZOZSDTDGR-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172255;MM172255;C#CC(N)C(N)CNC;QOEMEOPIYCZSEG-UHFFFAOYSA-N;127.19;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172256;MM172256;C#CC(N)C(O)CNC;YAFLJZSJYVWRQW-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172257;MM172257;C#CC(O)C(O)CNC;ZBWNXUDONPICJC-UHFFFAOYSA-N;129.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172258;MM172258;C#CC(F)C(O)CNC;IAJQPCKODLWSKQ-UHFFFAOYSA-N;131.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172259;MM172259;C#CC(C)C(C)COC;JXUNKFICUORCIR-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172260;MM172260;C#CC(C)C(N)COC;KVBJOZZZTRNGMP-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172261;MM172261;C#CC(N)C(N)COC;ZCXZEWXTEISCLV-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172262;MM172262;C#CC(O)C(N)COC;XTFGZVBUVXGOFK-UHFFFAOYSA-N;129.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172263;MM172263;C#CC(N)C(O)COC;GOWXKRBDFGSJSL-UHFFFAOYSA-N;129.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172264;MM172264;C#CC(O)C(O)COC;DVTYHMJDYWTGFH-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172265;MM172265;C#CC(F)C(F)COC;HPYTVTNRAJIYHI-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172266;MM172266;C#CC(C)C(C)NCC;KJWZEGNITNPYHU-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172267;MM172267;C#CC(N)C(C)NCC;MJVNNZFZHAUWFW-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172268;MM172268;C#CC(O)C(C)NCC;MAMVKEKOOSGCFN-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172269;MM172269;C#CC(F)C(C)NCC;HLJWFQGFDSTGHC-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172270;MM172270;C#CC(C)C(C)OCC;WEGJUENFLSGRJK-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172271;MM172271;C#CC(O)C(C)OCC;FXXBSOPVDOCZRN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172272;MM172272;C#CC(C)N(C)CCC;MTMULEPTVWPBGT-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172273;MM172273;C#CC(C)N(C)CCN;NVPJHHIECWDHKT-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172274;MM172274;C#CC(C)C(C)CC=C;BQUOBTYKWLAQHA-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172275;MM172275;C#CC(N)C(C)CC=C;QULIJKPNCRNVON-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172276;MM172276;C#CC(O)C(C)CC=C;LOHBJXMRWSTWKP-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172277;MM172277;C#CC(F)C(C)CC=O;FXKNARXFXNPXOJ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172278;MM172278;C#CC(C)C(N)CC=C;PKLNEGDCZWMKLD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172279;MM172279;C#CC(N)C(N)CC=C;RGALQHHLIPHJRK-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172280;MM172280;C#CC(O)C(N)CC=C;KGOCTZBDEYXNCN-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172281;MM172281;C#CC(F)C(N)CC=C;BDOVGYVQHGWIJT-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172282;MM172282;N=c1c(=N)n(O)nnn1N;JQJUVSSKCMPSJW-UHFFFAOYSA-N;143.11;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172283;MM172283;C#CC(N)C(O)CC=C;MRRHQTLKNFJRRN-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172284;MM172284;C#CC(O)C(O)CC=C;XSCJFADSDLDUIB-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172285;MM172285;C#CC(O)C(O)CC=O;UMTXBEKDZYBZCI-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172286;MM172286;C#CC(F)C(O)CC=C;MTKBGLCXZPAWMU-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172287;MM172287;C#CC(C)C(F)CC=O;AVZNCYDQOSSTSM-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172288;MM172288;C#CC(O)C(F)CC=C;KLKUHBTYWUHRGU-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172289;MM172289;C#CC(F)C(F)CC#N;KRAZFKQXVMITRK-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172290;MM172290;C#CC(F)C(C)NC=O;JFCKQVCUQJDNRR-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172291;MM172291;N=c1nnc(F)c(F)n1O;RJBZERXKJDUHBR-UHFFFAOYSA-N;148.07;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172292;MM172292;C#CC(C)C(C)OC=C;PEJAWXLRKMHHAU-UHFFFAOYSA-N;124.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172293;MM172293;C#CC(C)C(C)OC=O;NXCZCRQMBKDWHE-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172294;MM172294;C#CC(N)C(C)OC=C;ZNYZPSFJILYXNN-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172295;MM172295;C#CC(O)C(C)OC=C;HMFPVQBIDATMOR-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172296;MM172296;C#CC(O)C(C)OC=O;RDSSTWRBXOWASM-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172297;MM172297;C#CC(F)C(C)OC=O;AKQYBVBZHZTAHM-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172298;MM172298;C#CC(C)C(C)ON=C;CFODFJMWMNBMDO-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172299;MM172299;C#CC(C)N(C)NC=O;PZFUFSFPASUHTD-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172300;MM172300;C#CCC(C)C(C)C#C;UHIVIHCPVNZFCF-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172301;MM172301;C#CCC(C)C(F)C#C;LOHIYNDKZXLAPC-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172302;MM172302;C#CCC(N)C(C)C#C;NPEDRWXSOSRWEH-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172303;MM172303;C#CCC(N)C(O)C#C;XYAFDEAUZMQAEV-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172304;MM172304;N=c1oc(C=O)c(F)n1O;KWIKJIVHLHFLOZ-UHFFFAOYSA-N;146.08;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172305;MM172305;C#CCC(O)C(N)C#C;FAFNPFJOBUUAOG-UHFFFAOYSA-N;123.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172306;MM172306;C#CCC(O)C(O)C#C;HXCIZRGHYXVWGH-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172307;MM172307;C#CCC(O)C(F)C#C;CWARGXQHCUZFOJ-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172308;MM172308;C=C(CC)C(C)CCC;CLRGOLPZHFGXCP-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172309;MM172309;C=C(CC)C(C)CCN;TUBSYLMZCBPRNN-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172310;MM172310;C=NN=CN=C(NO)NO;ZHEVAYGQUVFURR-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172311;MM172311;C=C(CC)C(C)CCF;GFEGUFDCKRSFML-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172312;MM172312;C=C(CN)C(C)CCC;GUWDYAVSXBDPMS-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172313;MM172313;C=C(CN)C(C)CCO;FVPGLQKBGXUFBB-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172314;MM172314;C=C(CN)C(C)CCF;JWGPDRJXZXCHSO-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172315;MM172315;N=c1oc(=NN)cnn1O;RJCLRJXXDZJXBQ-UHFFFAOYSA-N;143.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172316;MM172316;CNc1nnc(=N)n(O)n1;GAQVLVCVHQXEHN-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172317;MM172317;C=C(CF)C(C)CCC;QZUURNMGUUHEPP-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172318;MM172318;C=C(CF)C(C)CCN;JRSLZQIIFBKZDW-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172319;MM172319;N#Cc1nnc(=N)n(O)n1;ICFHRJWFDSUAMP-UHFFFAOYSA-N;138.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172320;MM172320;CCCC(C)C(=O)CC;MVLRILUUXLBENA-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172321;MM172321;CCC(=O)C(C)CCO;REDXXKYCCBYIER-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172322;MM172322;CCC(=O)C(C)CCF;ZADUPMIDUBSXIO-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172323;MM172323;CC(CCO)C(=O)CO;FTCOWPPLQILEAL-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172324;MM172324;CCCC(C)C(=O)CF;VFUFZLUNLSUHEK-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172325;MM172325;CC(CCF)C(=O)CF;SZUDUSQWNDSNFS-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172326;MM172326;C=C(CC)C(N)CCC;SZIYRHFJWSZFKZ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172327;MM172327;C=C(CC)C(N)CCN;VPTURCITLTYYLS-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172328;MM172328;C=C(CC)C(N)CCF;PJUZYGFOOKIWKT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172329;MM172329;C=C(CN)C(N)CCN;ZWHOMDDWLHBASL-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172330;MM172330;C=C(CN)C(N)CCO;XATGNQISWSKEOP-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172331;MM172331;C=C(CN)C(N)CCF;SOZYWEWLEZSNPN-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172332;MM172332;C=C(CO)C(N)CCC;JMZASEQHJUNYNU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172333;MM172333;C=C(CO)C(N)CCN;AOPMAWBXNAQGKQ-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172334;MM172334;C=C(CO)C(N)CCF;NCVIDYYNCZNADB-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172335;MM172335;C=C(CF)C(N)CCC;PVSPJYLRLPKMJJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172336;MM172336;C#Cc1nnc(=N)n(O)n1;XJRCVKKTVWBUDQ-UHFFFAOYSA-N;137.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172337;MM172337;C=C(CC)C(O)CCO;KCWBAPILSUTWNI-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172338;MM172338;C=C(CN)C(O)CCC;ZPKCJRLCRDLEAJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172339;MM172339;C=C(CO)C(O)CCC;PMIMUTOZVFYHIT-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172340;MM172340;CCC(=O)C(O)CCO;DHDJDZWIIZLIPN-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172341;MM172341;O=C(CO)C(O)CCO;XAEITTHXTQNINA-UHFFFAOYSA-N;134.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172342;MM172342;C=C(CC)C(F)CCC;WAXYAFIJUBPYCZ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172343;MM172343;C=C(CC)C(F)CCN;RIDFPOYHFGYDAM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172344;MM172344;C=C(CN)C(F)CCN;BCFZPIFLNHCZDJ-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172345;MM172345;CCCC(F)C(=O)CC;URKFALMYKYVPPH-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172346;MM172346;CCC(=O)C(F)CCF;ALNOPKOOVHVBCA-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172347;MM172347;C=C(CC)C(C)CNC;VATNGPLSIIFUDX-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172348;MM172348;CCC(=O)C(C)CNC;ZGWQDTMHKWAIKF-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172349;MM172349;CNCC(C)C(=O)CO;GNULHAQWZSEZOV-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172350;MM172350;C=C(CN)C(N)CNC;PWJJOLAWPLAXFQ-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172351;MM172351;C=C(CN)C(O)CNC;DZCWCQRUBPDNRK-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172352;MM172352;C=C(CO)C(O)CNC;FIYQUDGXEQRQKS-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172353;MM172353;C=C(CF)C(O)CNC;WAYRLXNIIYHFFF-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172354;MM172354;CCC(=O)C(O)CNC;JJRCTWCDRRDXKX-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172355;MM172355;CNCC(O)C(=O)CO;MCGULSYUAXVAHO-UHFFFAOYSA-N;133.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172356;MM172356;C=C(CC)C(F)CNC;JOZPPBXWJJWFAA-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172357;MM172357;C=C(CC)C(C)COC;UOBGZNHKWPKHCH-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172358;MM172358;C=C(CO)C(C)COC;ZIONQHVMQRTMQB-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172359;MM172359;C=C(CF)C(C)COC;GJGZDQNZNIMKLF-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172360;MM172360;CCC(=O)C(C)COC;PKJAGYRKUYKEAH-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172361;MM172361;COCC(C)C(=O)CO;LICFNCFEGGPBAG-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172362;MM172362;C=C(CC)C(O)COC;XDZPYKQLRGYYIW-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172363;MM172363;C=C(CO)C(O)COC;TVMFZDIVJONFHO-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172364;MM172364;CCC(=O)C(O)COC;FNLDFSATIDYGET-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172365;MM172365;COCC(O)C(=O)CO;CUCFRLBWEWEHAO-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172366;MM172366;C=C(CC)C(F)COC;GHWLSHMLWGRKJS-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172367;MM172367;C=C(CF)C(F)COC;HMNUWLDARMMSEC-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172368;MM172368;CCCC(C)C(=N)NN;GYBXDMIKFYYQKA-UHFFFAOYSA-N;129.21;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172369;MM172369;CCCC(C)C(=N)NO;WUJXEXBAMIBOFS-UHFFFAOYSA-N;130.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172370;MM172370;CC(CCO)C(=N)NO;RXECSVZAHADESE-UHFFFAOYSA-N;132.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172371;MM172371;CNC(=O)C(C)CCN;RKWOVBJPJYDHOQ-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172372;MM172372;CNC(=O)C(C)CCF;UHJDIGRFHBIHES-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172373;MM172373;CNC(=N)C(N)CCN;PVBHVMUVTHXNBQ-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172374;MM172374;CNC(=N)C(N)CCO;INHSXLBOCVVDAI-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172375;MM172375;CCCC(N)C(=N)NO;XRCMFMLCQBUXJB-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172376;MM172376;CNC(=N)C(O)CCN;NJUMEFOFAMIGAT-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172377;MM172377;CNC(=N)C(O)CCO;FZBDZIAORYTCDV-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172378;MM172378;N=C(NN)C(O)CCO;ZKJNOQIBMWHAQY-UHFFFAOYSA-N;133.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172379;MM172379;N=C(NO)C(O)CCO;TYMZBCNKIASYCU-UHFFFAOYSA-N;134.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172380;MM172380;CNC(=O)C(O)CCN;NVVYWFTZKDWJPP-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172381;MM172381;CNC(=O)C(O)CCO;RAGKCYABJNIPSQ-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172382;MM172382;CNC(=O)C(O)CCF;OSVCZIMJKDHXCR-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172383;MM172383;O=C(NO)C(O)CCO;DGJJSWLFSUGMOH-UHFFFAOYSA-N;135.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172384;MM172384;CNC(=N)C(F)CCN;DTTQXICQUDLOOF-UHFFFAOYSA-N;133.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172385;MM172385;CNC(=N)C(F)CCO;ITEXFYVKKODHRY-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172386;MM172386;C#Cc1cc(C(C)C)n[nH]1;FPBJBSSMYSNXET-UHFFFAOYSA-N;134.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172387;MM172387;CNC(=O)C(F)CCO;KWYPFYUJXDHYPO-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172388;MM172388;NNC(=O)C(F)CCF;RNYGLYNHHJNHGZ-UHFFFAOYSA-N;138.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172389;MM172389;O=C(NO)C(F)CCO;AYVODBQMKPHHSI-UHFFFAOYSA-N;137.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172390;MM172390;CNCC(C)C(=N)NN;LGXFYHWBDDEMOW-UHFFFAOYSA-N;130.2;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172391;MM172391;CNCC(C)C(=O)NN;XYSGMIXXRCWMGF-UHFFFAOYSA-N;131.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172392;MM172392;CNCC(N)C(=N)NC;PBPFMRFDQHRZPV-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172393;MM172393;CNCC(O)C(=N)NC;VUNNJCJYAAROLF-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172394;MM172394;CNCC(O)C(=N)NN;AQQJEPHQGHINJE-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172395;MM172395;CNCC(O)C(=N)NO;OZUMNKDHIFSFJW-UHFFFAOYSA-N;133.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172396;MM172396;CNCC(O)C(=O)NC;VWPJRVHLDQAZKL-UHFFFAOYSA-N;132.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172397;MM172397;CNCC(O)C(=O)NN;VHKGGDDLPISNIW-UHFFFAOYSA-N;133.15;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172398;MM172398;CNC(=N)C(N)COC;NTIPOCAGMTWDDP-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172399;MM172399;COCC(O)C(=N)NN;DLPGSKJUDONHGM-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172400;MM172400;CNC(=O)C(O)COC;FQAQMQBRNQTTIX-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172401;MM172401;C=CC1=CCC(=NN=C)N1;UZVSHUNEWQRVOD-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172402;MM172402;COCC(O)C(=O)NO;YNHSYZXHOFMGLB-UHFFFAOYSA-N;135.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172403;MM172403;COCC(F)C(=O)NO;KLRFWFZCYNLLAW-UHFFFAOYSA-N;137.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172404;MM172404;C=C(OC)C(C)CCC;UCJGNIQRTPYZTR-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172405;MM172405;C=C(OC)C(C)CCN;PTIYIPKHMZYWPK-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172406;MM172406;CCCC(C)C(=O)OC;ZTULNMNIVVMLIU-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172407;MM172407;COC(=O)C(C)CCF;JIZAULJNPSOKLB-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172408;MM172408;C=C(OC)C(N)CCN;NCWVKVHMHMCNIP-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172409;MM172409;COC(=O)C(O)CCO;LNXUMIDZVKXVER-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172410;MM172410;C=C(OC)C(F)CCC;DYFKGKKYLXRRBN-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172411;MM172411;CCCC(F)C(=O)OC;CTAPGHWSHGJGBY-UHFFFAOYSA-N;134.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172412;MM172412;C=C(OC)C(C)CNC;RGKQHVKCUTZTPO-UHFFFAOYSA-N;129.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172413;MM172413;CNCC(O)C(=O)OC;ANBROQGMNRIZHY-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172414;MM172414;C=C(OC)C(N)COC;MHZHBMDVZDORBH-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172415;MM172415;C=C(OC)C(O)COC;RGFYFPZSZRWQTB-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172416;MM172416;C=C(OC)C(F)COC;VGUOBCVWCBQLTM-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172417;MM172417;C=C(CC)C(C)NCC;JUHVMZJWQOTTHN-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172418;MM172418;CCNC(C)C(=O)CC;KQBVKTWEJLJPDJ-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172419;MM172419;C=C(CC)C(C)OCC;OPNFMWSXFMKPNI-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172420;MM172420;C=C(CO)C(C)OCC;TWGDWPFFJGUANB-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172421;MM172421;CCOC(C)C(=N)NC;KSOMTPKBMVTPJS-UHFFFAOYSA-N;130.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172422;MM172422;CCOC(C)C(=O)NO;CWOMVXUCRCSWME-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172423;MM172423;CCOC(C)C(=O)OC;YVWPDYFVVMNWDT-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172424;MM172424;CCC(=N)N(C)CCN;AVOIOVUVFZLCOQ-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172425;MM172425;CCC(=N)N(C)CCO;SLVBRRDQNYDACU-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172426;MM172426;CN(CCN)C(=N)CN;GSLWOTYNCCOFJS-UHFFFAOYSA-N;130.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172427;MM172427;CN(CCN)C(=N)CO;VESLWVYXXGJILQ-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172428;MM172428;CN(CCO)C(=N)CO;FFZUJYDKZYPBTI-UHFFFAOYSA-N;132.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172429;MM172429;CCC(=O)N(C)CCN;FRHZMVJAPIXNNI-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172430;MM172430;CCC(=O)N(C)CCO;RKJFTBDHQJNVGT-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172431;MM172431;CCCN(C)C(=O)CO;QCABWVANLLANQH-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172432;MM172432;CN(CCO)C(=O)CO;LOTJSNVLABFKBW-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172433;MM172433;CN(CCF)C(=O)CO;VMVVIUPNOQQHDG-UHFFFAOYSA-N;135.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172434;MM172434;CN(CCF)C(=O)CF;PROWIMSURSJWPE-UHFFFAOYSA-N;137.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172435;MM172435;N=C(CO)N(N)CCO;SOQPUWSOWWRUME-UHFFFAOYSA-N;133.15;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172436;MM172436;C=CN=C1COC(=NC)N1;CQZJGRCRFONJIF-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172437;MM172437;C#CCC1=CC(=NN)CO1;IGJAFQSHRIRCGP-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172438;MM172438;CCc1nc(=NC)n(O)o1;MFOZURSQSICMNV-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172439;MM172439;CCCN(C)C(=N)NC;NWMCUBRQQFAMNF-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172440;MM172440;CNC(=N)N(C)CCN;JXTUASKNSPTADV-UHFFFAOYSA-N;130.2;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172441;MM172441;CNC(=N)N(C)CCO;MPODHXRIXVYBBU-UHFFFAOYSA-N;131.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172442;MM172442;CN(CCF)C(=N)NN;YBSWMTGCJXHYQZ-UHFFFAOYSA-N;134.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172443;MM172443;CN(CCN)C(=N)NO;PIXSKYCAXCUYJT-UHFFFAOYSA-N;132.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172444;MM172444;CNC(=O)N(C)CCN;HPZVKAXNUBTHMV-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172445;MM172445;CNC(=O)N(C)CCF;IKTJDFANWFHGDC-UHFFFAOYSA-N;134.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172446;MM172446;NN=c1ncc(F)nn1O;VJLNUTBIIDNZNA-UHFFFAOYSA-N;145.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172447;MM172447;CCCN(C)C(=O)NO;CTWYPHXLJCOHBH-UHFFFAOYSA-N;132.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172448;MM172448;CN(CCN)C(=O)NO;WBRDAPBAZDTVBR-UHFFFAOYSA-N;133.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172449;MM172449;CN(CCO)C(=O)NO;JWDSUIXMLPMKPX-UHFFFAOYSA-N;134.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172450;MM172450;CNC(=N)N(N)CCF;UMWGSMXLMWKSEX-UHFFFAOYSA-N;134.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172451;MM172451;CCCN(N)C(=N)NN;CPRPBYYNDMMFFN-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172452;MM172452;N=C(NN)N(N)CCO;WXNABNAKDGZFRG-UHFFFAOYSA-N;133.16;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172453;MM172453;N=C(NN)N(N)CCF;HIKDBGRTCANYTN-UHFFFAOYSA-N;135.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172454;MM172454;CCCN(N)C(=N)NO;ZLEFTSBWOUEDBY-UHFFFAOYSA-N;132.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172455;MM172455;N=C(NO)N(N)CCO;UUIWPLVHNAFVFL-UHFFFAOYSA-N;134.14;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172456;MM172456;N=C(NO)N(N)CCF;IWVDXZNSBKWCNT-UHFFFAOYSA-N;136.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172457;MM172457;Cc1nnc(=NN)n(O)n1;QERMTXBBLIUPDR-UHFFFAOYSA-N;142.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172458;MM172458;CN=c1nnc(N)nn1O;FDZMUMIZGJETAH-UHFFFAOYSA-N;142.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172459;MM172459;CCC#CCCNNC=O;QJWUZZXRUQDUJN-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172460;MM172460;C=CCON=CNNC=O;DQJYHWOHRRVEOF-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172461;MM172461;CN(C)C(=O)NN;PGLFGNJUOPLFLV-UHFFFAOYSA-N;103.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172462;MM172462;NN(CCO)C(=O)NO;DXGPRXIUJRIICB-UHFFFAOYSA-N;135.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172463;MM172463;NN(CCF)C(=O)NO;NVZDIGKREAGOEH-UHFFFAOYSA-N;137.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172464;MM172464;CNC(=N)N(O)CCN;WNRBKQAMAZEIMU-UHFFFAOYSA-N;132.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172465;MM172465;CCCN(O)C(=N)NN;IBEMXPJQPQSKIB-UHFFFAOYSA-N;132.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172466;MM172466;N=C(NN)N(O)CCO;KGRCJCFFURHMNT-UHFFFAOYSA-N;134.14;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172467;MM172467;N=C(NN)N(O)CCF;UQWUCNYSULYAGN-UHFFFAOYSA-N;136.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172468;MM172468;N=C(NO)N(O)CCN;CTNCNNNQJXOUQE-UHFFFAOYSA-N;134.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172469;MM172469;CCCN(O)C(=O)NC;XWKXGIOEKLZDOM-UHFFFAOYSA-N;132.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172470;MM172470;CNC(=O)N(O)CCN;JVVQYNCPTNLDDX-UHFFFAOYSA-N;133.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172471;MM172471;CNC(=O)N(O)CCO;QRVSBXKYJAUZFG-UHFFFAOYSA-N;134.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172472;MM172472;CNC(=O)N(O)CCF;VGXMEMSCEHNJEE-UHFFFAOYSA-N;136.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172473;MM172473;NNC(=O)N(O)CCO;YPPXQWMJEMLJAF-UHFFFAOYSA-N;135.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172474;MM172474;NNC(=O)N(O)CCF;GHKWHCOXFGNBEI-UHFFFAOYSA-N;137.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172475;MM172475;CCCN(O)C(=O)NO;SINGDYLJWDFJLF-UHFFFAOYSA-N;134.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172476;MM172476;O=C(NO)N(O)CCO;HIGHRIHERSMJHA-UHFFFAOYSA-N;136.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172477;MM172477;COC(=N)N(C)CCO;OZCOVHYCGIASLI-UHFFFAOYSA-N;132.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172478;MM172478;CCCN(C)C(=O)OC;XYGYXXWHQPBRSG-UHFFFAOYSA-N;131.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172479;MM172479;COC(=O)N(C)CCO;GOPRQCGVIZIXTH-UHFFFAOYSA-N;133.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172480;MM172480;COC(=O)N(C)CCF;LHDNJLMPIOKVFQ-UHFFFAOYSA-N;135.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172481;MM172481;NNC(=O)C=C(N)N;YDWZYFPQKDMAGL-UHFFFAOYSA-N;116.12;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172482;MM172482;CC(CO)CC(=O)NN;OFFQTTVWJCFGHC-UHFFFAOYSA-N;132.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172483;MM172483;CCNN(C)C(=O)CC;MZMBNXYSWXJATA-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172484;MM172484;CC(O)CCC(=O)NN;LQVHERLFWFKPNY-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172485;MM172485;CCON(C)C(=N)CC;ZKWWYSUHTIGANN-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172486;MM172486;CCON(C)C(=N)CN;RZGMDFDMRAHIPO-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172487;MM172487;CCON(C)C(=O)CC;YSJLKRAMTHXJFR-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172488;MM172488;CCON(C)C(=O)CO;SDKBOCIFWWQRDG-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172489;MM172489;CCON(C)C(=O)CF;PMQAHWZUHJUBCG-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172490;MM172490;CCON(C)C(=N)NN;OCEOCPPUKWBSDD-UHFFFAOYSA-N;132.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172491;MM172491;CCON(C)C(=O)NC;CODHJHBCDGYMSB-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172492;MM172492;CC(CO)CNNC=O;DPMHTFAQNWJVOR-UHFFFAOYSA-N;132.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172493;MM172493;CCON(C)C(=O)NO;ADUUWTZNBLRURH-UHFFFAOYSA-N;134.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172494;MM172494;CCON(C)C(=O)OC;WDYIFJQDWVXWME-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172495;MM172495;C=CCC(C)C(=C)CC;ZHIJLTVBKLKRGM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172496;MM172496;C=C(CC)C(C)CC=O;PYGMCSFTOCLSSH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172497;MM172497;C=C(CC)C(C)CC#N;LVTZIOUVZZPREN-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172498;MM172498;COCCCC(=O)NN;YSSRBFBFUPFMFI-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172499;MM172499;C=C(CO)C(C)CC#N;SPENMQKKGMOOIP-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172500;MM172500;C=CCC(C)C(=C)CF;KAWGYTAIEOSCAE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172501;MM172501;C=C(CF)C(C)CC=O;LHVQYTDFGRUHTI-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172502;MM172502;C=C(CF)C(C)CC#N;QFOJVYXCJUDRBD-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172503;MM172503;C=CCC(C)C(=O)CC;AOXNCUPDNCMHRX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172504;MM172504;CCC(=O)C(C)CC=O;WPNJUNDOHHZWET-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172505;MM172505;CCC(=O)C(C)CC#N;XATNDJOLZRTJDA-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172506;MM172506;C=CCC(C)C(=O)CF;WSTFBWQSDZRXKR-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172507;MM172507;CC(CC=O)C(=O)CF;LNOLCEWNWZNWHO-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172508;MM172508;C=CCC(N)C(=C)CC;HBADJVFLMRAZBR-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172509;MM172509;C=CCC(N)C(=C)CF;HOGPVPSGOADUBV-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172510;MM172510;NN=CNOC(=O)CO;WRLXNJCCDBTICV-UHFFFAOYSA-N;133.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172511;MM172511;C=C(CC)C(O)CC#N;JIGJBSHZXDMIOG-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172512;MM172512;C=C(CO)C(O)CC#N;UMRBXJWWNMIWFX-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172513;MM172513;CCC(=O)C(O)CC=O;JAUFJUZQGXSWES-UHFFFAOYSA-N;130.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172514;MM172514;O=CCC(O)C(=O)CO;ABHWXAPFZLYHJU-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172515;MM172515;N#CCC(O)C(=O)CO;HDYMVILSHWQBEX-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172516;MM172516;O=CCC(O)C(=O)CF;AUGUHXDBSQSINY-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172517;MM172517;C=CCC(F)C(=C)CC;DNEWZKGPEMPNSF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172518;MM172518;C=C(CC)C(F)CC=O;MMOCOZWVBJTFMA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172519;MM172519;C=CCC(F)C(=C)CN;LTHIKZHCAYGWHV-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172520;MM172520;C=CCC(F)C(=C)CO;QZSKTAWZCNDHEE-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172521;MM172521;C=C(CO)C(F)CC=O;BTFUDHOPHGPHTJ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172522;MM172522;C=C(CF)C(F)CC#N;GDXMNNRXGHIDCM-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172523;MM172523;C=CCC(F)C(=O)CC;ZPJMIFAQTCOIOK-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172524;MM172524;CCC(=O)C(F)CC#N;OWEYIRPQBYRVKU-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172525;MM172525;O=CCC(F)C(=O)CO;OUVIATGGXNZFOA-UHFFFAOYSA-N;134.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172526;MM172526;N#CCC(F)C(=O)CO;NRFZULBMLRWJJC-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172527;MM172527;N#CCC(F)C(=O)CF;IYVPDFNACLQOCX-UHFFFAOYSA-N;133.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172528;MM172528;C=CCC(C)C(=N)NC;LVFJMNUOKJOOIC-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172529;MM172529;C=CCC(C)C(=N)NN;NVMMHAIGANPJIW-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172530;MM172530;C=CCC(C)C(=N)NO;DBVKICKTPPDHTO-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172531;MM172531;CC(CC=O)C(=N)NO;LJDBUGFSMRIUDP-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172532;MM172532;CCc1nc(CF)c[nH]1;JSPWAIXDROXXJG-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172533;MM172533;CNC(=O)C(C)CC=O;FAEIFQQLJNTQCN-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172534;MM172534;CC(CC=O)C(=O)NO;DFDURYWRKUZKJK-UHFFFAOYSA-N;131.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172535;MM172535;CN=C(N)C(O)CC=O;CHOJLRURPNPUFB-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172536;MM172536;CNC(=N)C(O)CC#N;GXRBWLSPKOTKAM-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172537;MM172537;NC(=NO)C(O)CC=O;NXNGPJLEYPWCJH-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172538;MM172538;CNC(=O)C(O)CC=O;KCHSNJSXCXPSOW-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172539;MM172539;CNC(=O)C(O)CC#N;VYXXJBXRXUWVLV-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172540;MM172540;O=CCC(O)C(=O)NO;PQAPPWLPZZBLFK-UHFFFAOYSA-N;133.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172541;MM172541;N#CCC(O)C(=O)NO;ZHGKYFOBKLCSAS-UHFFFAOYSA-N;130.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172542;MM172542;CNC(=O)C(F)CC#N;DMEFHOATDJLXPN-UHFFFAOYSA-N;130.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172543;MM172543;C=CCC(C)C(=C)OC;MTVATIMEQOUEEH-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172544;MM172544;C=C(OC)C(C)CC=O;GXICJHQXUSFUHL-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172545;MM172545;C=C(OC)C(C)CC#N;JJIWVRJANJGNJV-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172546;MM172546;COC(=O)C(C)CC=O;MEHIMRNYHHEUFC-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172547;MM172547;C=C(OC)C(O)CC=O;ZCDSAWAPCIOIBY-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172548;MM172548;COC(=O)C(O)CC#N;NFERFOWSDQDXBZ-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172549;MM172549;C=C(OC)C(F)CC#N;AAZAVNRMBHAEAF-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172550;MM172550;C=CCC(F)C(=O)OC;KNZCMNQNYBSCDG-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172551;MM172551;C=C(CC)C(C)NC=N;YEXQFDLUDORDKX-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172552;MM172552;Cc1ncc(NO)nn1;WPBFTMBMIAGHAL-UHFFFAOYSA-N;126.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172553;MM172553;C=C(CN)C(C)NC=N;GSGWDJSJYLYNKD-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172554;MM172554;C=C(CN)C(C)NC=O;PTKBAGUKCRLVCC-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172555;MM172555;C=C(CO)C(C)NC=O;QCGGBYPWOGWVPU-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172556;MM172556;CCC(=O)C(C)NC=O;DDKMZMCIKBAYHK-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172557;MM172557;CC(NC=O)C(=O)CO;RLHUCTHXSHWIKR-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172558;MM172558;CC(N=CN)C(=O)CF;MJGLOAVWVJNIDE-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172559;MM172559;C=NNC(C)C(=C)CF;MCNKUIKKPSECPS-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172560;MM172560;COCCCNNC=O;BUAHISMYEQXFCJ-UHFFFAOYSA-N;132.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172561;MM172561;CN(O)C(=N)OC(=O)CO;BNJAVJZLSZZYPY-UHFFFAOYSA-N;148.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172562;MM172562;CNC(=N)C(C)NC=N;YKUZJQMZWVIVON-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172563;MM172563;CC(NC=O)C(=N)NN;WVCCVZVICBZKKI-UHFFFAOYSA-N;130.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172564;MM172564;CC(NC=O)C(=N)NO;AEVXMPIPNSXJBM-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172565;MM172565;CC(N=CN)C(=O)NN;FUPDKXGZAYQPIC-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172566;MM172566;CN=CN(C)OC(=O)CO;CRKMWVUOTPIUPY-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172567;MM172567;C=C(OC)C(C)NC=O;FGYWJXRSWJNEMT-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172568;MM172568;COC(=O)C(C)N=CN;IVSFXKCENZCSDG-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172569;MM172569;C=COC(C)C(=C)CC;WUBHVUVBASJGQP-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172570;MM172570;C=C(CC)C(C)OC=O;LZBCOTKUINZPON-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172571;MM172571;C=COC(C)C(=C)CN;HQNBEVUIOWJNGR-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172572;MM172572;C=COC(C)C(=C)CF;XIJRJCXLWBWROK-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172573;MM172573;C=C(CF)C(C)OC=O;XEXZDYCABBSNCW-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172574;MM172574;C=COC(C)C(=O)CC;SLIZRVKBNSKKOJ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172575;MM172575;CCC(=O)C(C)OC=O;LYZBLRLTOSUDNY-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172576;MM172576;CC(OC=O)C(=O)CO;YTIZZOWJOPEVOZ-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172577;MM172577;C=COC(C)C(=O)CF;RNYCBFYEGSTDOH-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172578;MM172578;C=NOC(C)C(=C)CC;WCCFDIJKPQTOEO-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172579;MM172579;CN(C=NN)OC(=O)CO;STGNFZOMPUXRIQ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172580;MM172580;NN1CC(O)(CF)CC1=O;KTQCXBRGKJHHQY-UHFFFAOYSA-N;148.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172581;MM172581;CC(OC=O)C(=N)NN;XFBUEOPVGYCCNA-UHFFFAOYSA-N;131.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172582;MM172582;CCNN=CNNC(N)=O;BRWLLAWCPIRQBD-UHFFFAOYSA-N;145.17;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172583;MM172583;C=COC(C)C(=O)NO;DKIRGHGRWMHVQT-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172584;MM172584;C=COC(C)C(=O)OC;LJANOGWLBSUKMA-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172585;MM172585;C=NOC(C)C(=C)OC;VQPNBMCSBRNEAX-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172586;MM172586;CN(CC=O)C(=N)CO;LSCGKNNJQSVUTI-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172587;MM172587;C=CCN(C)C(=O)CC;WQPFYRKDWSXUMY-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172588;MM172588;C=CCN(C)C(=O)CO;OIACHHOPXSYEJJ-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172589;MM172589;CN(CC=O)C(=O)CO;HOWZNCWCGQNOHV-UHFFFAOYSA-N;131.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172590;MM172590;CN(CC#N)C(=O)CO;JUAQFLSWWDUGDU-UHFFFAOYSA-N;128.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172591;MM172591;CN(CC#N)C(=O)CF;JVHTVYGHJUQQRS-UHFFFAOYSA-N;130.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172592;MM172592;C=CCN(N)C(=N)CO;NDDBTSFOHOCLOC-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172593;MM172593;C=CC(O)CCC(=O)NN;PIONGEIXIGFERF-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172594;MM172594;C=CCN(O)C(=N)CC;KTLURHVUVDDVLZ-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172595;MM172595;CNC(=N)N(C)CC=O;KCHKFHJKJUSXDI-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172596;MM172596;CN(CC=O)C(=N)NO;AMLZJWMTPCGXNJ-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172597;MM172597;CNC(=O)N(C)CC=O;DUHKXTZEWNUYQQ-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172598;MM172598;CN(CC=O)C(=O)NO;CSXWDRQKBZURGE-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172599;MM172599;C=CCN(N)C(=N)NN;XXNFHDXPNGSWGO-UHFFFAOYSA-N;129.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172600;MM172600;C=CCN(N)C(=N)NO;LCCPPIWLEDAZRH-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172601;MM172601;C=C(CCC(=O)NN)OC;WVASOKXLWWFBPF-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172602;MM172602;CNC(=N)N(O)CC=O;QCMOHZDQBKJKPQ-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172603;MM172603;C=CCN(O)C(=N)NN;JQHFZXDXNMXZKB-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172604;MM172604;C=CCN(O)C(=O)NC;RMQDTDJKFJQMNP-UHFFFAOYSA-N;130.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172605;MM172605;CNC(=O)N(O)CC=O;WQMJXHSMDIIEFO-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172606;MM172606;C=CCN(O)C(=O)NN;GMQOPPWUZBWAKN-UHFFFAOYSA-N;131.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172607;MM172607;CCC(=N)N(C)NC=N;VXOPSEVWKVKYCN-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172608;MM172608;CCC(=N)N(C)NC=O;GJZPBQXSRWKXLE-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172609;MM172609;CN(NC=N)C(=N)CN;UUYZCRAJKLRMRS-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172610;MM172610;CN(NC=N)C(=N)CO;RTCUCKWTVMHALU-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172611;MM172611;CN(NC=O)C(=N)CO;LSXSILFQCSLVCW-UHFFFAOYSA-N;131.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172612;MM172612;CN(NC=N)C(=N)CF;QRFBSIXDYGGCBY-UHFFFAOYSA-N;132.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172613;MM172613;COC(=N)NOC(=O)CO;MCMYEDJHYAEGNY-UHFFFAOYSA-N;148.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172614;MM172614;CCC(=O)N(C)NC=O;CIWTXUWGKKZDQU-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172615;MM172615;CN=C(NO)OC(=O)CO;FDYILSKTVWEMTH-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172616;MM172616;CN(NC=O)C(=O)CO;DRXRMJBXSXOGAP-UHFFFAOYSA-N;132.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172617;MM172617;CCC(O)C(C)NNC=O;XAMZKKDORIIQSP-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172618;MM172618;CN(NC=O)C(=O)CF;QJEWPSWJUMJFAH-UHFFFAOYSA-N;134.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172619;MM172619;CNC(=N)N(C)NC=N;SLFGLOKUFJZOMK-UHFFFAOYSA-N;129.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172620;MM172620;CNC(=N)N(C)NC=O;NGAQSKPHOCKAMJ-UHFFFAOYSA-N;130.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172621;MM172621;CN(NC=N)C(=N)NN;BPRRNSHTHGIHTP-UHFFFAOYSA-N;130.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172622;MM172622;CN(NC=O)C(=N)NN;MLXPSXMLPUZVFB-UHFFFAOYSA-N;131.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172623;MM172623;CN(NC=N)C(=N)NO;BBCVRUUIXXZWEU-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172624;MM172624;CN(NC=O)C(=N)NO;KTTDRRVTCCRSDU-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172625;MM172625;CNC(=O)N(C)NC=N;RVSIUXMUCCYHER-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172626;MM172626;CNC(=O)N(C)NC=O;YZHMWMATJOZVST-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172627;MM172627;CN(NC=N)C(=O)NN;SPRATNPWWOUASU-UHFFFAOYSA-N;131.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172628;MM172628;CN(NC=O)C(=O)NN;XYWNGJZPWGEYNZ-UHFFFAOYSA-N;132.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172629;MM172629;CN(NC=N)C(=O)NO;PFZJJIPOVXGAAZ-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172630;MM172630;CN(NC=O)C(=O)NO;SFAPGPLQBAXHMG-UHFFFAOYSA-N;133.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172631;MM172631;COC(=N)N(C)NC=N;QKYGJKQFIMXNOC-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172632;MM172632;COC(=O)N(C)NC=N;HQXSGHWDXANUHV-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172633;MM172633;COC(=O)N(C)NC=O;XNUSRZYOXRQBOR-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172634;MM172634;CN(OC=O)C(=O)CF;KIFILRHXRDCUSD-UHFFFAOYSA-N;135.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172635;MM172635;CNC(=N)N(C)OC=O;XGCNHANULVUAQH-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172636;MM172636;C#CCC(C)C(=C)CC;DDNCAMDTTGVKEJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172637;MM172637;C#CCC(C)C(=C)CN;RXCJCYBMALWCOJ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172638;MM172638;CNN=CNOC(=O)CO;LWIMTZLFZVBUEU-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172639;MM172639;C#CCC(C)C(=C)CF;NXNITQJRHRBOAD-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172640;MM172640;C#CCC(C)C(=O)CC;JIDSGTCATUGQMQ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172641;MM172641;C#CCC(C)C(=O)CF;OXCTZNIMUVCUAA-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172642;MM172642;C#CCC(N)C(=C)CC;DMOHBFBNFHOULM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172643;MM172643;C#CCC(N)C(=C)CF;DHAHPOBOAIDZPN-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172644;MM172644;CON=CNOC(=O)CO;SWUBYDITEAXOTH-UHFFFAOYSA-N;148.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172645;MM172645;C#CCC(O)C(=C)CF;YHYQJVFYYLQSAC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172646;MM172646;C#CCC(O)C(=O)CC;XRTOGDKSRGKBMS-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172647;MM172647;C#CCC(O)C(=O)CO;GXIBPNKZIKVRMA-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172648;MM172648;C#CCC(O)C(=O)CF;CXQJOPSVPKYULH-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172649;MM172649;C#CCC(F)C(=C)CN;PKJHNCQZZLUEJH-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172650;MM172650;C#CCC(F)C(=C)CO;FDOXJXYAWBWEAZ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172651;MM172651;C#CCC(F)C(=O)CC;PWPNLFHITLHHLH-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172652;MM172652;C#CCC(F)C(=O)CO;CHFVXFFKVONKGG-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172653;MM172653;C#CCC(N)C(=N)NC;SMAVHFYDSGZLBP-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172654;MM172654;C#CCC(N)C(=N)NO;MVWUHOSSYHZYBH-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172655;MM172655;C#CCC(O)C(=N)NC;IAVWNRPBOJEXRN-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172656;MM172656;C#CCC(O)C(=N)NN;PDCSTVAARXSXHF-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172657;MM172657;C#CCC(O)C(=N)NO;FWZYNMZSNCKOCP-UHFFFAOYSA-N;128.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172658;MM172658;C#CCC(O)C(=O)NC;GQCUXJUYOPQVHG-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172659;MM172659;CN=c1oc(C)c(F)n1O;AIPKEABBOFRVDW-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172660;MM172660;C#CCC(O)C(=O)NO;WJVPEBFSJDIEQH-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172661;MM172661;C#CCC(C)C(=C)OC;HVUVCQXXPKPAGR-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172662;MM172662;C#CCC(O)C(=C)OC;GSGUBGZDUBISOT-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172663;MM172663;C#CCN(C)C(=N)CN;QKZXLYUPTOYYLD-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172664;MM172664;C#CCN(C)C(=N)CO;OTJKNOQKJNHQSX-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172665;MM172665;C#CCN(C)C(=O)CO;WNAASMJDRUXYFU-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172666;MM172666;C#CCN(C)C(=O)CF;KMBAIQWLJNHFRY-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172667;MM172667;C#CCN(N)C(=O)CC;TUMYRHDHSYIBDU-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172668;MM172668;N=c1oc(CF)c(F)n1O;SXRABDHTDSJSHB-UHFFFAOYSA-N;150.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172669;MM172669;C=Cc1oc(=N)n(O)c1F;SPYSWLWCYRNNCZ-UHFFFAOYSA-N;144.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172670;MM172670;C#CCN(C)C(=N)NN;DRGOHISYGJHIOV-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172671;MM172671;C#CCN(C)C(=N)NO;AWLZVTZBERXFJQ-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172672;MM172672;C=CC(CO)CNNC=O;JGXGOCZRFMALSS-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172673;MM172673;C#CCN(C)C(=O)NO;UXSLETJADUGYLZ-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172674;MM172674;C#CCN(N)C(=N)NC;ISYZDCQSGUDEMB-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172675;MM172675;C#CCN(N)C(=N)NN;QEGLHFSKZKRQCT-UHFFFAOYSA-N;127.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172676;MM172676;C#CCN(N)C(=N)NO;VCCUXKADSGBLSN-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172677;MM172677;N=c1nnc(C=O)nn1O;IWCCILMWFMIFPJ-UHFFFAOYSA-N;141.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172678;MM172678;C=CCC1=CC(=NN)CO1;OGDPDBCXEXZOEN-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172679;MM172679;C#CCN(N)C(=O)NO;XHLWEOJCVROJBP-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172680;MM172680;C#CCN(O)C(=N)NN;PPHKWMLVRNSLAV-UHFFFAOYSA-N;128.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172681;MM172681;C#CCN(O)C(=O)NC;QWGDIZLOPOCKLY-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172682;MM172682;C=CC(=C)C(C)CCC;IBSGAESDKYXYPJ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172683;MM172683;C=CC(=C)C(C)CCF;FAMKQEGKLZKKHE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172684;MM172684;C=C(C=O)C(C)CCC;UHHMJZKIHZVDCO-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172685;MM172685;C=C(C#N)C(C)CCC;MQNZFXYURRNCHW-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172686;MM172686;NN=CCCCNNC=O;BSHXJPXCXDEECB-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172687;MM172687;C=C(C=O)C(C)CCF;JGSMVJVCMQKFEA-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172688;MM172688;C=C(C#N)C(C)CCF;UNNHSFMCWYDEGH-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172689;MM172689;C=CC(=O)C(C)CCC;FMZDFRXBZBPNSU-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172690;MM172690;C=CC(=O)C(C)CCF;KVXXGTHOMDJNGP-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172691;MM172691;CCCC(C)C(=O)C#N;GNKSWUKKVLDGTE-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172692;MM172692;C=CC(=C)C(N)CCC;DRCOJRXGDLSSAF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172693;MM172693;COC=CCCNNC=O;FNKKFHCDLGPISD-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172694;MM172694;C=CC(=C)C(O)CCN;RHKNTKFQMGTEOY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172695;MM172695;C=CC(=C)C(O)CCO;AALPBQFBKAIJJE-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172696;MM172696;C=CC(=C)C(O)CCF;OXFXGJDKVUHRMA-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172697;MM172697;C=C(C#N)C(O)CCC;QGGHZLVLMGSSJE-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172698;MM172698;C=C(C=O)C(O)CCO;PTSTWZMFYYKUPI-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172699;MM172699;C=CC(=O)C(O)CCO;AFBXGSIGOJNJGT-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172700;MM172700;C=CC(=O)C(O)CCF;CJXLSMLHASTRQY-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172701;MM172701;O=CC(=O)C(O)CCO;ACXWVDOVKJIXGS-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172702;MM172702;N#CC(=O)C(O)CCO;MUIIAKPLMVCXOU-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172703;MM172703;C=CC(=C)C(F)CCC;MUXJDKGEDVVLMP-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172704;MM172704;C=CC(=C)C(F)CCN;KCGYSLUNCQOOLM-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172705;MM172705;C=CC(=C)C(F)CCO;GWNPHSBECPQJEV-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172706;MM172706;C=CC(=C)C(F)CCF;MKZMYKCBVJJWMK-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172707;MM172707;C=C(C=O)C(F)CCC;BXANOOTVDCCLOL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172708;MM172708;C=C(C#N)C(F)CCC;IKYQJSAKRNWOND-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172709;MM172709;C=C(C=O)C(F)CCF;AVNFPSBHBMLYOM-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172710;MM172710;C=C(C#N)C(F)CCF;CHGUXBAJNDYZQE-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172711;MM172711;C=CC(=O)C(F)CCC;ALFKKYKMJTWMLN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172712;MM172712;C=CC(=O)C(F)CCF;UITWAQOPZUSFJY-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172713;MM172713;CCCC(F)C(=O)C#N;QPVYOMSGDZXGDH-UHFFFAOYSA-N;129.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172714;MM172714;C=CC(=C)C(C)CNC;QIXPLOJNNOTDRV-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172715;MM172715;C=C(C#N)C(C)CNC;KHKQIIQIUXXGFD-UHFFFAOYSA-N;124.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172716;MM172716;C=C(C=O)C(O)CNC;QWOPDVOJJLHIKD-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172717;MM172717;C=C(C#N)C(O)CNC;JLYCOQWLNALAEK-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172718;MM172718;C=CC(=C)C(C)COC;BQCOKDZJZNMWHN-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172719;MM172719;C=C(C#N)C(C)COC;UUSSQBJJHAXQLY-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172720;MM172720;C=CC(=O)C(O)COC;HCTPOZHRPVHKDE-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172721;MM172721;COCC(O)C(=O)C#N;JFMBUYRBEOZPCP-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172722;MM172722;C=CC(=C)C(C)NCC;ZUGSXSQSNFBNNZ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172723;MM172723;C=CC(=O)C(C)NCC;OMARUQVZPGNMQP-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172724;MM172724;C=CC(=C)C(C)OCC;XWBYNHRTWZNSHU-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172725;MM172725;C=C(C=O)C(C)OCC;IWELWLPWURZSPN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172726;MM172726;C=C(C#N)C(C)OCC;OOYPQMXIZYWMFA-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172727;MM172727;C=CC(=O)C(C)OCC;JFDOEZKMZBOTOZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172728;MM172728;CCOC(C)C(=O)C#N;AVUNIFDXXZHIRM-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172729;MM172729;C=CC(=N)N(C)CCC;NCOFWWWPZIZCSR-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172730;MM172730;C=CC(=N)N(C)CCO;SPPRJRCJNXOOIM-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172731;MM172731;CCCN(C)C(=N)C=O;MOJUFLBNSGHKFL-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172732;MM172732;CC1=NOCC1O;CSSJOMPBDQASFC-UHFFFAOYSA-N;101.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172733;MM172733;CN(CCF)C(=N)C=O;SQNFEAMWNIRXNO-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172734;MM172734;CN(CCF)C(=N)C#N;UPHTZRGRTKUCFW-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172735;MM172735;C=CC(=O)N(C)CCN;RGJWPEASQNLLNA-UHFFFAOYSA-N;128.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172736;MM172736;CCC(=O)NN(C)C;GAHZMIFNGKXVSI-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172737;MM172737;CN(CCO)C(=O)C#N;QALYUYUXDBNAEA-UHFFFAOYSA-N;128.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172738;MM172738;CN(CCF)C(=O)C=O;KTQNDFZCTIUALT-UHFFFAOYSA-N;133.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172739;MM172739;C=CC(=N)N(N)CCF;PEDOXMCQPSBDCN-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172740;MM172740;C=CC(=O)N(N)CCF;NQGNMUANXLIYNO-UHFFFAOYSA-N;132.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172741;MM172741;C=CC(=N)N(O)CCC;VVOUSCZZSGOXON-UHFFFAOYSA-N;128.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172742;MM172742;C=CC(=N)N(O)CCN;VKLRBVPUJAHVLD-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172743;MM172743;C=CC(=N)N(O)CCO;DEXUDQWVBLSTQN-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172744;MM172744;NN1CCC(O)C1=O;IGGHREXIVNJWOD-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172745;MM172745;C=CC(=O)N(O)CCF;HKJFPNRXXWOMCT-UHFFFAOYSA-N;133.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172746;MM172746;C=CC(=O)N(C)NCC;LAVMNOOBUBYSMS-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172747;MM172747;C=CC(=N)N(C)OCC;GCFPJVIKSPGREQ-UHFFFAOYSA-N;128.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172748;MM172748;CCON(C)C(=N)C=O;QLEXQVKPVAQJPL-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172749;MM172749;CCON(C)C(=N)C#N;IDXKLENLKQOLMC-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172750;MM172750;C=CC(=O)N(C)OCC;RMQLWXQTAOCGHL-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172751;MM172751;CCON(C)C(=O)C=O;RLFAGCWPENZXTG-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172752;MM172752;C=CCC(C)C(=C)C=C;JSMAHZNLSUSKSY-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172753;MM172753;C=CC(=C)C(C)CC=O;KAQWVAIZKIMTIF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172754;MM172754;C=CC(=C)C(C)CC#N;MPJFHDKXFXGCGO-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172755;MM172755;C=CCC(C)C(=C)C=O;QXPCFVPLRXEJGI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172756;MM172756;C=CCC(C)C(=C)C#N;XQASMJBYPYURLL-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172757;MM172757;C=C(C=O)C(C)CC=O;WFOHZFTZWKGVST-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172758;MM172758;C=C(C#N)C(C)CC#N;USQSYPCQFLJJNM-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172759;MM172759;C=CCC(C)C(=O)C=C;VRMMWGBGQLXVLX-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172760;MM172760;C=CC(=O)C(C)CC=O;MRWVGMRQMRPRSM-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172761;MM172761;CC(CC=O)C(=O)C=O;UUMFJXCRQWFLQX-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172762;MM172762;C=CCC(N)C(=C)C=C;JZFCJHCCHQEKQI-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172763;MM172763;N=c1occ(F)n1O;HQEXYIUICCAQQE-UHFFFAOYSA-N;118.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172764;MM172764;C=C(C=O)C(O)CC=O;VJKHDZZTAFHJBK-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172765;MM172765;C=C(C=O)C(O)CC#N;WZWQVIBTXNDEJE-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172766;MM172766;C=CC(=O)C(O)CC=O;SWEBSUSXTQTMKB-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172767;MM172767;C=CC(=O)C(O)CC#N;FFSGZIKFAYOIEE-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172768;MM172768;O=CCC(O)C(=O)C=O;INTVNEVYCYHBTJ-UHFFFAOYSA-N;130.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172769;MM172769;N#CCC(O)C(=O)C=O;LGEDYQMSVOCUFP-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172770;MM172770;N#CC(=O)C(O)CC=O;DFQFTAALTOYBQJ-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172771;MM172771;C=CCC(F)C(=C)C=C;YAVWSTDEEOQBGP-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172772;MM172772;C=CC(=C)C(F)CC=O;LYYCGQSRXMTSMT-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172773;MM172773;C=CC(=C)C(F)CC#N;WSUBAVKQNCJBNT-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172774;MM172774;C=CCC(F)C(=C)C=O;IZZZMYQGMWABLG-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172775;MM172775;C=CCC(F)C(=C)C#N;CIEJWMSSXWRDHR-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172776;MM172776;C=C(C#N)C(F)CC=O;HFIPCYWQZGQSDY-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172777;MM172777;C=CCC(F)C(=O)C=C;YSFDBNXXVNMFSU-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172778;MM172778;C=CCC(F)C(=O)C#N;ADTNKWGVMCFJCX-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172779;MM172779;O=CCC(F)C(=O)C=O;GWGDQYJCLGABKG-UHFFFAOYSA-N;132.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172780;MM172780;C=CC(=C)C(C)NC=N;WLNVUAPODCPLMN-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172781;MM172781;CC(=CC(=O)NN)CO;SHNUXZVUAOXCGV-UHFFFAOYSA-N;130.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172782;MM172782;C=C(C#N)C(C)NC=O;AGTNJCIHEGPVSL-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172783;MM172783;CC(NC=O)C(=O)C#N;KDOIZVBJGMTYNY-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172784;MM172784;C=NNC(C)C(=C)C=O;VZCLXQFZBDGPMC-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172785;MM172785;NNC(=O)CCCCO;INQRVENAXALNOT-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172786;MM172786;Cc1nn(O)c(=N)n1O;UOTUCEGXPDYYDV-UHFFFAOYSA-N;130.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172787;MM172787;C=COC(C)C(=C)C=C;MHANDLGOSOKZFU-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172788;MM172788;C=CC(=C)C(C)OC=O;MJFSLPWCRGEIKG-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172789;MM172789;C=COC(C)C(=C)C=O;IQGHSIGBWKKGIA-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172790;MM172790;C=COC(C)C(=C)C#N;SIFLSPUAVVYTDL-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172791;MM172791;C=C(C#N)C(C)OC=O;QDGLMHWXGBBIPU-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172792;MM172792;C=CC(=C)C(C)ON=C;SADGVYOKTORZBQ-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172793;MM172793;Cc1oc(=N)n(O)c1F;BYXSTZMNOBCNPO-UHFFFAOYSA-N;132.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172794;MM172794;C=CCN(C)C(=N)C=C;MEKYHBFVGBQLNF-UHFFFAOYSA-N;124.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172795;MM172795;C=CCN(C)C(=N)C#N;APKDZYNKLTWDHC-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172796;MM172796;Cc1nc(N)c(C)n1O;CYTMZZZRKLLVMJ-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172797;MM172797;C=CCN(C)C(=O)C#N;USGZOAJYBMLHGL-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172798;MM172798;CN(CC#N)C(=O)C=O;YWCPXYWFUYTLNJ-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172799;MM172799;Cc1nnc(=N)n(O)n1;YNGQFDHEQQCWDV-UHFFFAOYSA-N;127.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172800;MM172800;C=CC(=N)N(C)NC=O;VALRIORYCSSCHR-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172801;MM172801;CN(NC=N)C(=N)C#N;QOQYLGAKPFWCKQ-UHFFFAOYSA-N;125.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172802;MM172802;CNc1nc(=O)on1N;HYQSPCJSRXNJPQ-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172803;MM172803;CN=c1occ(F)n1O;IEHCTVUJBDDVQU-UHFFFAOYSA-N;132.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172804;MM172804;CN=c1nncnn1O;RHQUOLHYWZONLM-UHFFFAOYSA-N;127.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172805;MM172805;C=CC(=O)N(C)NC=O;PIHKPKPTVOVLOM-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172806;MM172806;CC(C(=O)NN)C(C)(C)O;XFELTQISKKNJNJ-UHFFFAOYSA-N;146.19;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172807;MM172807;CC(C)(CCO)NNC=O;PHJMZSRZKXMDLV-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172808;MM172808;CN(NC=O)C(=O)C#N;OWWLNIYQNCZCGQ-UHFFFAOYSA-N;127.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172809;MM172809;C#CCC(C)C(=C)C=C;CEVDVOCWUZNVBU-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172810;MM172810;C#CCC(C)C(=C)C=O;BGVZZAMAJPNYET-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172811;MM172811;C#CCC(C)C(=C)C#N;IMOWBFSXIHJERQ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172812;MM172812;C#CCC(C)C(=O)C=C;LFQWEELSMLONCP-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172813;MM172813;C#CCC(N)C(=C)C=C;LAZZDBPNFZXLFY-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172814;MM172814;COC(=O)NNCC(C)C;ZLEWDIVOIXWOST-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172815;MM172815;C#CCC(O)C(=C)C#N;JHXLPJUZNIZHGA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172816;MM172816;C#CCC(F)C(=C)C=C;IXZLIOWKQTUHOP-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172817;MM172817;C#CCC(F)C(=C)C#N;JOGNDCUVHALNTP-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172818;MM172818;C#CCN(C)C(=N)C=C;FBSUBHHBIBQZKC-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172819;MM172819;C#CCN(C)C(=O)C=C;NVSFVQHCNZCCSY-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172820;MM172820;C#CCN(C)C(=O)C=O;KODBNGKYMAVPJC-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172821;MM172821;C#CCN(N)C(=N)C=C;NIQJIXBESLINLP-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172822;MM172822;C#CCN(O)C(=N)C#N;HWSXJBPIYVJIKN-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172823;MM172823;C#CC(=C)C(C)CCC;RBHZRLYLIYWKIJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172824;MM172824;C#CC(=C)C(C)CCN;QSGOLXUHKASSDU-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172825;MM172825;C#CC(C#N)C(=O)C(=N)N;RIDXHUQPFVLCAK-UHFFFAOYSA-N;135.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172826;MM172826;C#CC(=C)C(C)CCF;PAWKREJPEIVYBP-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172827;MM172827;C#CC(=O)C(C)CCC;PYEZHYUJYAQECU-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172828;MM172828;C#CC(=O)C(C)CCO;JRDTUTRBPXSLMG-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172829;MM172829;C#CC(=O)C(C)CCF;XYMWISMLTYXPNY-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172830;MM172830;C#CC(=C)C(N)CCF;HZLOLVNUFOZGSO-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172831;MM172831;C#CC(=O)C(O)CCO;JRLRMCRSSWSDKJ-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172832;MM172832;C#CC(=C)C(F)CCC;PKFLQINFRRHZRG-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172833;MM172833;C#CC(=C)C(F)CCN;SPWCKJQNNRRYBK-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172834;MM172834;C#CC(=C)C(F)CCF;OQNDOHCOKHKPKG-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172835;MM172835;C#CC(=C)C(C)CNC;QTCXMUKZQBZCDT-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172836;MM172836;C#CC(=C)C(N)CNC;AQIINYUJIIEJFK-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172837;MM172837;C#CC(=O)C(O)CNC;ZNHWDMRTHRNDHX-UHFFFAOYSA-N;127.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172838;MM172838;C#CC(=C)C(F)CNC;CBAJPUUWVDUCOV-UHFFFAOYSA-N;127.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172839;MM172839;C#CC(=C)C(C)COC;UXGWBURYGYSEPJ-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172840;MM172840;C#CC(=C)C(F)COC;XTCQFYCHWSCCFA-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172841;MM172841;C#CC(=C)C(C)NCC;OCAWWOJWQKNVTM-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172842;MM172842;C#CC(=C)C(C)OCC;SNFZQSFDTQLRNH-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172843;MM172843;C#CC(=O)C(C)OCC;LFPVDQCBTIPBEB-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172844;MM172844;C#CC(=N)N(C)CCN;PHAWQLTUZFCEGX-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172845;MM172845;C#CC(=N)N(C)CCO;WNMCXLWNMJIZAJ-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172846;MM172846;C#CC(=O)N(C)CCN;PNJSQFKXWYUGHK-UHFFFAOYSA-N;126.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172847;MM172847;C#CC(=O)N(C)CCO;YLRLRSPWFUKHOO-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172848;MM172848;C#CC(=N)N(N)CCC;XIHQYSHJFRHPQV-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172849;MM172849;CNN=CCC(O)C(N)=O;IGGKRHKMKNYYCP-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172850;MM172850;C#CC(=C)C(C)CC=C;QPNCORHGKQORGT-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172851;MM172851;C#CC(=C)C(C)CC=O;VANSFGFUEYAVTJ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172852;MM172852;C#CC(=C)C(C)CC#N;IARWPHGPFPMQTK-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172853;MM172853;C#CC(=O)C(C)CC=C;SFJDPAUAOHSQST-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172854;MM172854;C#CC(=C)C(N)CC=C;YDXBAGUTZDWZCM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172855;MM172855;C#CC(=O)C(O)CC=O;QMVOOTAQZLCBAY-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172856;MM172856;C#CC(=C)C(F)CC=C;NVVFNSSWNASTJY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172857;MM172857;C#CC(=C)C(C)NC=N;XDUAFYWWMCYEOF-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172858;MM172858;C#CC(=C)C(C)NN=C;KLBZBOHQNKOFTO-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172859;MM172859;C#CC(=C)C(C)OC=O;WKVNBZGWXHKKSQ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172860;MM172860;C#CC(=O)C(C)OC=C;DXPBHBJBAXTLJE-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172861;MM172861;C#CC(=O)C(C)OC=O;CUTVBAAWCQNMBP-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172862;MM172862;C#CC(=N)N(C)CC=C;SJCNIGCEFVPWPI-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172863;MM172863;C#CC(=O)N(C)CC=O;NBINPNAOUMPLED-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172864;MM172864;C#CC(=N)N(C)NC=N;VKHCXYXBVZUUDN-UHFFFAOYSA-N;124.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172865;MM172865;C#CC(=O)N(C)NC=O;KRLFGCLRDYVDNV-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172866;MM172866;C#CCC(C)C(=C)C#C;REEOJROYKHFFNB-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172867;MM172867;C#CCC(C)C(=O)C#C;DEMWYZWKNFTOCQ-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172868;MM172868;C#CCC(N)C(=C)C#C;QLYIVCCQMOYGAD-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172869;MM172869;C#CCC(O)C(=C)C#C;YSAZCUXCGNKCRD-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172870;MM172870;C#CCC(F)C(=C)C#C;WKSONRKLNYQCPZ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172871;MM172871;C#CCN(C)C(=N)C#C;APADQRAJXXABAD-UHFFFAOYSA-N;120.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172872;MM172872;C#CCN(C)C(=O)C#C;GISORUGHZYBYMB-UHFFFAOYSA-N;121.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172873;MM172873;N=c1nc(F)c(F)nn1O;RRZIORVSHNAEHX-UHFFFAOYSA-N;148.07;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172874;MM172874;C=C(CCC)C(C)CC;WKKNVESMSQJDGW-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172875;MM172875;C=C(CCN)C(C)CC;QROSJDKDZMHCGT-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172876;MM172876;C=C(CO)CCC(=O)NN;IUOQIWXNSVUNCC-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172877;MM172877;C=C(CCF)C(C)CC;BKYVKGXVPMXQQA-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172878;MM172878;C=C(CCC)C(C)CN;TVALJFVSBHZBBC-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172879;MM172879;C=C(CCF)C(C)CN;VHVRXJOVGLXKDW-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172880;MM172880;C=NOCC(O)C(=C)OC;XGLVRFBJSRXRDW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172881;MM172881;C=C(CCN)C(C)CO;OTIBRPOGVWAPFG-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172882;MM172882;C=C(CCC)C(C)CF;AMAPWBWTRJNJJX-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172883;MM172883;C=C(CCN)C(C)CF;HYLZAVMIZIQFNG-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172884;MM172884;C=C(CCF)C(C)CF;PZLQJYHJOGMNQF-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172885;MM172885;C=C(CCC)C(N)CC;GGRLZJHGFWGNMA-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172886;MM172886;C=C(CCO)C(N)CC;LVAKLWAFFJKLGL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172887;MM172887;C=C(CCF)C(N)CC;HPEPEOJNMTXWBR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172888;MM172888;C=C(CCC)C(N)CO;CVGYGLKHFIJYIW-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172889;MM172889;C=C(CCN)C(N)CO;FQNRQFOOILABGW-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172890;MM172890;C=C(CCN)C(N)CF;NMDPVHICRVMFLU-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172891;MM172891;C#CCCC(C)C(=O)NN;WUNXHWQCCHXFDZ-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172892;MM172892;C=C(CCN)C(O)CC;FVUFCUCMCRCVSZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172893;MM172893;C=C(CCF)C(O)CC;GQAWXZPZVHRICE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172894;MM172894;C=C(CCC)C(O)CN;NSUGPFBVHUPUHL-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172895;MM172895;C=C(CCC)C(O)CO;GQQHPGRGUPULIZ-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172896;MM172896;C=C(CCN)C(O)CO;FGLNPFRSPXSNCI-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172897;MM172897;C=C(CCO)C(O)CO;CHNKFWZAAINWMP-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172898;MM172898;C=C(CCF)C(O)CO;RAMPJZOOZQTFJP-UHFFFAOYSA-N;134.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172899;MM172899;C=C(CCF)C(O)CF;GWAYLZREMFZWDF-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172900;MM172900;C=C(CCC)C(F)CC;IEQVRLWHFVISJU-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172901;MM172901;C=C(CCF)C(F)CC;WSWHDGXJPVEVEX-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172902;MM172902;C=C(CCC)C(F)CN;CUPOXCLRXTVFFW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172903;MM172903;C=C(CCN)C(F)CN;VSFJZQQDGJDGAU-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172904;MM172904;C=C(CCC)C(F)CF;KELKHHVZZUWASU-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172905;MM172905;C=C(CCF)C(F)CF;YSXVEHHSNLDPCB-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172906;MM172906;CCCC(=O)C(C)CC;NHIMSNHOEAVUKE-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172907;MM172907;CCC(C)C(=O)CCO;HSDBEQMNDCVAIY-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172908;MM172908;CCC(C)C(=O)CCF;IGKMQQLAPXHCKC-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172909;MM172909;CCCC(=O)C(C)CF;QGGFOJHSFFYGAM-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172910;MM172910;CC(CF)C(=O)CCF;HBOKYYHOHIEDOD-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172911;MM172911;CCCC(=O)C(O)CO;WCUKHSTYJHJAFL-UHFFFAOYSA-N;132.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172912;MM172912;O=C(CCO)C(O)CF;YUDNSUXWZNERQG-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172913;MM172913;CCCC(=O)C(F)CC;QHFJXGSJLRCBPG-UHFFFAOYSA-N;132.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172914;MM172914;CCC(F)C(=O)CCF;VVYRSLXFXQLFKP-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172915;MM172915;O=C(CCO)C(F)CO;BHHUKGAPXFEBDO-UHFFFAOYSA-N;136.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172916;MM172916;CCCC(=O)C(F)CF;PSVBWGOQJJYTMQ-UHFFFAOYSA-N;136.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172917;MM172917;C=C(CNC)C(C)CC;BYAXOMVTYIDHLU-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172918;MM172918;C=C(CNC)C(C)CN;QBFDVFILVCWLEM-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172919;MM172919;C=C(CNC)C(C)CF;JRLAUXHLZNCUQF-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172920;MM172920;C=C(CNC)C(N)CO;RFBRMVPDMRNNOZ-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172921;MM172921;C=C(CNC)C(O)CN;OUMOFFVDHBBDOZ-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172922;MM172922;C=C(CNC)C(F)CC;KMGGOOXDOONXIV-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172923;MM172923;C=C(CNC)C(F)CO;JNIZZQCMIAXGKH-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172924;MM172924;CCC(C)C(=O)CNC;WIDQKTRRCQUQMB-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172925;MM172925;C=C(COC)C(C)CC;JDQWOXBLFBQHSY-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172926;MM172926;C=C(COC)C(C)CN;RYHDZEMHYIOADK-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172927;MM172927;C=C(COC)C(C)CO;AEDKDBSQZYXYIJ-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172928;MM172928;C=C(COC)C(C)CF;ZCWBROJQCCTINL-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172929;MM172929;C=C(COC)C(N)CC;ZHLSPQOXLYFPNH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172930;MM172930;C=C(COC)C(N)CO;IIBVZEVOIDNWSE-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172931;MM172931;C=C(COC)C(N)CF;PKCNCIKDGGXQAS-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172932;MM172932;C=C(COC)C(O)CC;FKUIABQNAPVZPL-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172933;MM172933;C=C(COC)C(O)CN;LRCDHBQIKNPGDI-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172934;MM172934;C=C(COC)C(O)CO;YLYPZCXJBWHQHO-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172935;MM172935;C=C(COC)C(F)CC;JTBUIZQOZFMCJM-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172936;MM172936;C=C(COC)C(F)CN;WCFBWSDTBJEMCZ-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172937;MM172937;COCC(=O)C(O)CO;RWBAEQIJEVCYLO-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172938;MM172938;COCC(=O)C(F)CO;YPJHVFFURJENFZ-UHFFFAOYSA-N;136.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172939;MM172939;C=C(CCC)C(C)NC;PPTAIMIRURSPEF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172940;MM172940;C=C(CCN)C(C)NC;ZYSDSUDUTQUTEI-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172941;MM172941;C=C(CCO)C(C)NC;XODQWTAQPKBPDN-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172942;MM172942;C=C(CCF)C(C)NC;ZBCALDHPWDTILA-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172943;MM172943;CCCC(=O)C(C)NC;KCZWCJXOPWRFPG-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172944;MM172944;C=C(CCC)C(C)OC;IIDNUAHNTGOPJA-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172945;MM172945;CCCC(=O)C(C)OC;FQZUWZAAEOQUQQ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172946;MM172946;C=C(COC)C(C)OC;NNRQOUCOOKQZAP-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172947;MM172947;CCNC(=N)C(C)CC;WHSVMPFAZHQCRS-UHFFFAOYSA-N;128.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172948;MM172948;CCNC(=N)C(C)CN;WXBMQZJAXVITIT-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172949;MM172949;CCNC(=N)C(N)CN;ZJBFXYKCDAHDJQ-UHFFFAOYSA-N;130.2;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172950;MM172950;CCNC(=N)C(N)CO;YDZSOYVACYTJHQ-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172951;MM172951;CCNC(=N)C(O)CF;LUQQLPXLPURWQM-UHFFFAOYSA-N;134.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172952;MM172952;CCNC(=O)C(N)CC;PUUMKAKVWBYGDZ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172953;MM172953;CCNC(=O)C(O)CN;XUZDIDIBSKBCFM-UHFFFAOYSA-N;132.16;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172954;MM172954;CCNC(=O)C(O)CO;YNZMCFQYWYKLFO-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172955;MM172955;CCNC(=O)C(F)CO;NWLWOVKSTHROPC-UHFFFAOYSA-N;135.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172956;MM172956;CNNC(=N)C(C)CN;GUPPSHOYIDKODK-UHFFFAOYSA-N;130.2;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172957;MM172957;CNNC(=N)C(C)CO;SKKGGUMQGNSKOM-UHFFFAOYSA-N;131.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172958;MM172958;CCC(N)C(=N)NNC;IGOZSMIBSVAFRQ-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172959;MM172959;CNNC(=N)C(N)CO;CCFTZCRPDDYEBR-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172960;MM172960;CCC(O)C(=N)NNC;ZXIBXPLUFREGPZ-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172961;MM172961;CNNC(=N)C(O)CN;VTJHRKZCNJMISA-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172962;MM172962;CNNC(=N)C(O)CO;RPJHSSJSOPFRKX-UHFFFAOYSA-N;133.15;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172963;MM172963;CNNC(=N)C(O)CF;NIOYULUGARIKHU-UHFFFAOYSA-N;135.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172964;MM172964;CNNC(=O)C(C)CN;LAKHHRJDXULQKO-UHFFFAOYSA-N;131.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172965;MM172965;C=COCCCC(=O)NN;PMEUEGOHADFUJJ-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172966;MM172966;CC#CCCCC(=O)NN;RLMLOWNZVCUKGC-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172967;MM172967;CNNC(=O)C(O)CN;MTSKBZUHBHZTST-UHFFFAOYSA-N;133.15;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172968;MM172968;CNNC(=O)C(F)CF;PWNVSVBDMXUQKH-UHFFFAOYSA-N;138.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172969;MM172969;CCC(C)C(=N)NOC;HTNYBZKHBWMZPT-UHFFFAOYSA-N;130.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172970;MM172970;CONC(=N)C(C)CN;BTFKFWREMSNQFB-UHFFFAOYSA-N;131.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172971;MM172971;CONC(=N)C(C)CO;LLUGHJSEODYKGG-UHFFFAOYSA-N;132.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172972;MM172972;CCC(N)C(=N)NOC;HCQXSWOHENKCMG-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172973;MM172973;CCC(O)C(=N)NOC;CYUUGDQQAGFZHM-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172974;MM172974;CONC(=N)C(O)CN;ARMBRSVIVHBTLV-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172975;MM172975;COC=CCCC(=O)NN;SGYZTASGFSZQSH-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172976;MM172976;CCCC(CO)NNC=O;ARLWNUPPBDZZMH-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172977;MM172977;C#CCc1cn(O)c(=O)o1;GFQNDEFUHUPHLB-UHFFFAOYSA-N;139.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172978;MM172978;CC=Cc1cn(O)c(=O)o1;JTDRATIYUQSLBT-UHFFFAOYSA-N;141.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172979;MM172979;CNNC(=O)C(C)NC;FQTYVPZHIVKUEO-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172980;MM172980;CC=NOC(C#N)C(C)=O;JLCMGBFCRKJDJN-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172981;MM172981;CONC(=N)C(C)OC;SWRIWEVKMFJMSZ-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172982;MM172982;COc1cnc(=O)n(O)c1;DLBSBLNKBWTIRB-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172983;MM172983;C=C(OCC)C(C)CO;ZKNXAEDENRZVCK-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172984;MM172984;C=C(OCC)C(C)CF;SPFPVTHNBSIWEH-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172985;MM172985;C=C(OCC)C(N)CC;XVYDSAWSXWHLKV-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172986;MM172986;C=C(OCC)C(N)CN;MZZPCTQVGYYXRM-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172987;MM172987;C=C(OCC)C(O)CC;BRKBMXWVYFPDFH-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172988;MM172988;C=C(OCC)C(O)CN;QAVJGGNGDCEBRM-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172989;MM172989;C=C(OCC)C(O)CO;HMEKQNJGKSLJAH-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172990;MM172990;C=C(OCC)C(O)CF;WZEMTSLTFBRMFY-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172991;MM172991;C=C(OCC)C(F)CC;OVXKOQNUTBHZFI-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172992;MM172992;C=C(OCC)C(F)CN;FTFQSUBYXXRHAP-UHFFFAOYSA-N;133.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172993;MM172993;C=C(OCC)C(F)CO;SPVHWFWTVRPWDW-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172994;MM172994;CCOC(=O)C(C)CC;HCRBXQFHJMCTLF-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172995;MM172995;CCOC(=O)C(N)CN;UHPCBUYSHWNREK-UHFFFAOYSA-N;132.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172996;MM172996;CCOC(=O)C(N)CF;WYNSNSWTUNKHDL-UHFFFAOYSA-N;135.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172997;MM172997;CCOC(=O)C(O)CC;KWWOQRSLYPHAMK-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172998;MM172998;CCOC(=O)C(O)CN;REWLOACFBCGTBJ-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM172999;MM172999;CCOC(=O)C(O)CO;FTOZMXOHOKRHNL-UHFFFAOYSA-N;134.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173000;MM173000;CCOC(=O)C(O)CF;KDKNDZYVSQXZPS-UHFFFAOYSA-N;136.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173001;MM173001;CCOC(=O)C(F)CF;XXGUOJPXRMXRHS-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173002;MM173002;C=C(OCC)C(C)NC;SXWHLKUWMSHBRJ-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173003;MM173003;C=C(OCC)C(C)OC;LHHIZRZSPKNGKH-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173004;MM173004;CCOC(=O)C(C)OC;WHRLOJCOIKOQGL-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173005;MM173005;CCN(C)C(=N)CCN;KLKSEHIMDDYUMH-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173006;MM173006;CCN(C)C(=N)CCO;NAQILAKQPSYWDF-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173007;MM173007;CCN(C)C(=N)CCF;HEPOVHZBWNSNCV-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173008;MM173008;CCN(N)C(=N)CCF;LJZSAXUZOSUDEG-UHFFFAOYSA-N;133.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173009;MM173009;CCN(O)C(=N)CCN;UGZNQGYSOLVWKX-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173010;MM173010;CCN(C)C(=O)CCN;LRUCTISOQBNBBP-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173011;MM173011;CCN(C)C(=O)CCF;XJGNGKVSEUGDQI-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173012;MM173012;Cc1nnn(O)c(=N)c1F;HXPUERCCVBRFJE-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173013;MM173013;CCN(C)C(=N)CNC;ANLBRGMSBWJBST-UHFFFAOYSA-N;129.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173014;MM173014;CCN(N)C(=N)CNC;PNHFTWFDEJDIHT-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173015;MM173015;CCN(N)C(=N)COC;AZHFDJGMOULGJV-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173016;MM173016;CNN(C)C(=N)CCN;ZXTSOPNBCUMWST-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173017;MM173017;CNN(C)C(=N)CCF;MDQWEUQOSSHZPW-UHFFFAOYSA-N;133.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173018;MM173018;CNN(C)C(=O)CCN;MXMMNLMZXRZKPO-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173019;MM173019;Cc1nc(=NN)n(O)n1O;KLHMVXADBNWHGF-UHFFFAOYSA-N;145.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173020;MM173020;CCc1nn(O)c(=N)n1O;BQCDGPIBZGFRRK-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173021;MM173021;CNCC(=N)N(C)NC;RXEYXPIBKAIJEU-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173022;MM173022;CNN(C)C(=N)COC;PJNBOVSPHLTUNK-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173023;MM173023;CCc1oc(=N)n(O)c1F;SHZSLSSCBMROSK-UHFFFAOYSA-N;146.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173024;MM173024;CCCC(=N)N(C)OC;XQCKPJZLUOAZBX-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173025;MM173025;CON(C)C(=N)CCO;DSAYEEKHUPRNPM-UHFFFAOYSA-N;132.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173026;MM173026;CON(C)C(=O)CCN;MZVOOWWGCTUZMA-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173027;MM173027;CON(C)C(=O)CCO;JZCZEQVFNHECND-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173028;MM173028;CNCC(=O)N(C)OC;ZIIMOMAMTSFMJU-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173029;MM173029;CCNC(=N)N(C)CC;WHSIORDUQANHBH-UHFFFAOYSA-N;129.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173030;MM173030;CCNC(=O)N(C)CC;ZZROOEOLWHVOHQ-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173031;MM173031;C=CC1(CNNC=O)CN1;JNWQTWICSGMWRD-UHFFFAOYSA-N;141.17;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173032;MM173032;CCNC(=O)N(O)CC;DHRVXHSLXQYQES-UHFFFAOYSA-N;132.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173033;MM173033;CCN(C)C(=N)NNC;CGFZSCCJTGMUOC-UHFFFAOYSA-N;130.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173034;MM173034;CCc1nnc(=N)n(O)n1;YSCWGIZWJIFQAX-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173035;MM173035;CCN(N)C(=N)NOC;ZFJWNNUEIYDSAA-UHFFFAOYSA-N;132.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173036;MM173036;CCN(O)C(=N)NOC;MVVLYMZPRCDYBJ-UHFFFAOYSA-N;133.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173037;MM173037;CCN(C)C(=O)NOC;CIQFOVCSNJFTGW-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173038;MM173038;CCN(N)C(=O)NOC;NXOWZFNLLWGJQF-UHFFFAOYSA-N;133.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173039;MM173039;CCNC(=N)N(C)NC;DDRSLDBBNGNGES-UHFFFAOYSA-N;130.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173040;MM173040;N=c1nnc(CN)nn1O;SESOJNSZLKHUSH-UHFFFAOYSA-N;142.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173041;MM173041;CNNC(=N)N(C)NC;CMCMOGBEUMCFRJ-UHFFFAOYSA-N;131.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173042;MM173042;C=Cc1nnc(=N)n(O)n1;HBJZMSBWTMRBRX-UHFFFAOYSA-N;139.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173043;MM173043;CCOC(=N)N(C)CC;MABVYSOTBXVASC-UHFFFAOYSA-N;130.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173044;MM173044;CCOC(=O)N(C)CC;XLPFLCTZNRMTQB-UHFFFAOYSA-N;131.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173045;MM173045;CCOC(=O)N(C)NC;DBOKLWURNXIYJU-UHFFFAOYSA-N;132.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173046;MM173046;C=CCC(=C)C(C)CC;IERAOXZJUZHBIC-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173047;MM173047;C=C(CC=O)C(C)CC;MLIUCWVXCGADDX-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173048;MM173048;C=C(CC#N)C(C)CC;CAJNIYDANUYCJK-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173049;MM173049;C=CCC(=C)C(C)CN;CFLNJZVEPCEWIK-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173050;MM173050;CCCC1=CC(=NN)CO1;YBDRIPXTKNROQO-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173051;MM173051;C=C(CC=O)C(C)CF;DZUNSMGGVSZEEQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173052;MM173052;C=CCC(=C)C(N)CC;IUGQQWVWJVLWFU-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173053;MM173053;C=CCC(=C)C(N)CF;QDYDQYXMRIMSIB-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173054;MM173054;CN=c1nnc(C)nn1O;BSQMDAVOTTZBGC-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173055;MM173055;C=C(CC#N)C(O)CC;PFOUBWPQLACZMM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173056;MM173056;C=C(CC#N)C(O)CO;XRACALBKMOWXJH-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173057;MM173057;C=CCC(=C)C(O)CF;OMNWSRWFHVRECJ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173058;MM173058;C=C(CC=O)C(O)CF;KCARIPMLBBAWSV-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173059;MM173059;C=CCC(=C)C(F)CC;GNNOIJRSOGBFCW-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173060;MM173060;C=C(CC=O)C(F)CC;LEKDNDWZXYWYKJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173061;MM173061;C=C(CC#N)C(F)CC;ZNEFJTQYUISNCN-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173062;MM173062;C=C(CC=O)C(F)CF;BXHMLNKQUYTNSW-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173063;MM173063;C=CCC(=O)C(C)CC;YKNARDIKVJKBOL-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173064;MM173064;CCC(C)C(=O)CC#N;XWIHHAWAPXYFOX-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173065;MM173065;C=CCC(=O)C(C)CF;XCNINLOVNVGCBV-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173066;MM173066;N#CCC(=O)C(O)CO;GMDNJBYCQLBSDY-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173067;MM173067;C=CCC(=O)C(F)CC;AGRAGGNABIWRTG-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173068;MM173068;N#CCC(=O)C(F)CO;XKJWHIPGVUNHHB-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173069;MM173069;N#CCC(=O)C(F)CF;YEQZUOJHZXNITF-UHFFFAOYSA-N;133.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173070;MM173070;C=CCC(=C)C(C)NC;HCSNZSKXESFZPB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173071;MM173071;C=CCC(=C)C(C)OC;ONPZQVFLOUWMHM-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173072;MM173072;C=C(CC=O)C(C)OC;HIEGQMQFEADTEZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173073;MM173073;C=C(CC#N)C(C)OC;MCZODGYSEGDUOM-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173074;MM173074;C=CCC(=O)C(C)OC;SJBQLFNCHXEKGL-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173075;MM173075;C=C(NC=N)C(C)CC;ASAQCCSJCOMUIY-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173076;MM173076;C=C(NC=O)C(C)CC;CVWXGBDLNKJJDG-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173077;MM173077;C=C(NC=N)C(C)CO;WIBARSCYMDAHPB-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173078;MM173078;C=C(NC=N)C(C)CF;IRVUCVFLSBXPOW-UHFFFAOYSA-N;130.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173079;MM173079;C=C(NC=O)C(C)CF;BSLQJHKSGWTPFW-UHFFFAOYSA-N;131.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173080;MM173080;C=C(NC=N)C(N)CC;IJSIGISXLOCZBI-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173081;MM173081;C=C(NC=O)C(N)CC;AROUZZGDQIXNFY-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173082;MM173082;C=C(NC=N)C(N)CN;KOOWZLGJHSKUKC-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173083;MM173083;C=C(NC=O)C(N)CN;XTCPWYFUWUTXGD-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173084;MM173084;C=C(NC=N)C(N)CO;WXOPHSQQWMLUKQ-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173085;MM173085;C=C(NC=N)C(N)CF;WNTAICGHMXBFQZ-UHFFFAOYSA-N;131.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173086;MM173086;C=C(NC=N)C(O)CN;HXUCVMAADVZPAK-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173087;MM173087;C=C(NC=O)C(O)CN;ZBKYLQBWQGVZPU-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173088;MM173088;C=C(NC=N)C(F)CC;VVAXPWZOCNNKNC-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173089;MM173089;C=C(NC=O)C(F)CC;TYVUUSOBPIAUOM-UHFFFAOYSA-N;131.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173090;MM173090;C=CNC(=N)C(C)CC;HPFVQFIDXUPWBW-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173091;MM173091;CC(CN)C(=N)NC=N;MVQQJHHNOUXPPO-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173092;MM173092;C=CNC(=N)C(C)CO;QMVZYAOPMVWKGU-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173093;MM173093;CC(CO)C(=N)NC=N;ABSXZLNHLVAEKW-UHFFFAOYSA-N;129.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173094;MM173094;C=COCCCNNC=O;YSMQCDIZLGBJQP-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173095;MM173095;C=CNC(=N)C(N)CC;FLKFFYAPEKOKSS-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173096;MM173096;CCC(N)C(=N)NC=N;YBADSOAYYLTEHZ-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173097;MM173097;C=CNC(=N)C(N)CN;KBAYDEXVFZLBRH-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173098;MM173098;N=CNC(=N)C(N)CN;OZZPUHUOHWDPMK-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173099;MM173099;N=C(NC=O)C(N)CN;VCTMPEVHGDPSLH-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173100;MM173100;C=CNC(=N)C(N)CO;RTUPIJFBYYGPFH-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173101;MM173101;CCC(O)C(=N)NC=N;VNZGFDJZRMBBKW-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173102;MM173102;CCC(O)C(=N)NC=O;TXYZEEOEYGULOG-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173103;MM173103;C=CNC(=N)C(O)CN;BYSBBTYBPRYGSF-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173104;MM173104;N=CNC(=N)C(O)CN;JSXLBJGHENHZKM-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173105;MM173105;N=C(NC=O)C(O)CN;CKENMRYMPPYZBK-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173106;MM173106;C=CNC(=N)C(O)CO;IPSAYICACKZZLC-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173107;MM173107;N=CNC(=N)C(O)CO;CLXVGCWZAKVJEJ-UHFFFAOYSA-N;131.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173108;MM173108;N=C(NC=O)C(O)CO;DZRRFBSNYUGMGB-UHFFFAOYSA-N;132.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173109;MM173109;N=CNC(=N)C(O)CF;FPIHJAKAUDANMK-UHFFFAOYSA-N;133.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173110;MM173110;CCC(F)C(=N)NC=N;JZPHOWYWBXWVFK-UHFFFAOYSA-N;131.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173111;MM173111;N=CNC(=N)C(F)CF;ZYBKOORNHDCSME-UHFFFAOYSA-N;135.12;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173112;MM173112;C=CNC(=O)C(C)CC;WWGMMEPJLSVQIG-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173113;MM173113;CC(CN)C(=O)NC=N;KJLIPWBMHJIWCT-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173114;MM173114;CC(CN)C(=O)NC=O;AHPVLHVOABDVCN-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173115;MM173115;C=CNC(=O)C(C)CO;OPQPWQBWUVFQRG-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173116;MM173116;CC#CCCCNNC=O;AKHIUFJKIZBGPE-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173117;MM173117;CC(CO)C(=O)NC=O;MYUSXPVKILITJB-UHFFFAOYSA-N;131.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173118;MM173118;CCC(N)C(=O)NC=N;KHUXQIJHKAFBOF-UHFFFAOYSA-N;129.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173119;MM173119;NCC(N)C(=O)NC=O;JQDAQZUNEXLYGA-UHFFFAOYSA-N;131.14;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173120;MM173120;C=CC=NN=CNNC=O;ZTMJXUMGTHEQIK-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173121;MM173121;CNNC(=O)C=CN;AWXGRTSXUAVABX-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173122;MM173122;C=CNC(=O)C(O)CC;LZGRTXXNSWVFIP-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173123;MM173123;N=c1nncnn1O;KRIJVNLEKYZGEX-UHFFFAOYSA-N;113.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173124;MM173124;CCC(O)C(=O)NC=O;SHJMQVVBMMDPBF-UHFFFAOYSA-N;131.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173125;MM173125;C=CNC(=O)C(O)CN;MMJLJAWALFWLMN-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173126;MM173126;N=CNC(=O)C(O)CN;NJRSJFMZKFTCED-UHFFFAOYSA-N;131.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173127;MM173127;NCC(O)C(=O)NC=O;WLMKXGIFRZVAQL-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173128;MM173128;C=CNC(=O)C(O)CO;IYCJZCJXCYEPBG-UHFFFAOYSA-N;131.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173129;MM173129;N=CNC(=O)C(O)CO;HFQDCXHXIUJGJY-UHFFFAOYSA-N;132.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173130;MM173130;O=CNC(=O)C(O)CO;FNOZCOHZAWNTJU-UHFFFAOYSA-N;133.1;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173131;MM173131;O=CNC(=O)C(O)CF;YOMSSNRLZCAKNX-UHFFFAOYSA-N;135.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173132;MM173132;O=CNC(=O)C(F)CO;KHKHOIYKEOVINH-UHFFFAOYSA-N;135.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173133;MM173133;CC1CC1C(=O)NN;YJBPEAHLEMYMEC-UHFFFAOYSA-N;114.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173134;MM173134;C=NNC(=O)C(C)CN;HMXOQUJIEGORCU-UHFFFAOYSA-N;129.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173135;MM173135;C=NNC(=O)C(C)CO;LWGHQNCOJOOJJA-UHFFFAOYSA-N;130.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173136;MM173136;C=NNC(=O)C(O)CF;KJGKLJIIHHVAMR-UHFFFAOYSA-N;134.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173137;MM173137;C=NNC(=O)C(F)CC;WIKJSENOPVCQQO-UHFFFAOYSA-N;132.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173138;MM173138;CNC(C)C(=N)NC=N;ODAKUVCAHUQJLD-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173139;MM173139;CNC(C)C(=O)NC=N;RXSVNHZOPJDRBW-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173140;MM173140;CNC(C)C(=O)NC=O;KGHRKHMRQUIMDZ-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173141;MM173141;C=NNC(=O)C(C)NC;RWRPVEIBIIFOJC-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173142;MM173142;COC(C)C(=N)NC=O;OQGGOWXPKQEEAU-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173143;MM173143;CC1CC1NNC=O;LQOFYNOBAIHDLJ-UHFFFAOYSA-N;114.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173144;MM173144;COC(C)C(=O)NC=O;BPEXYLLTRIPTBD-UHFFFAOYSA-N;131.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173145;MM173145;C=COC(=C)C(C)CC;READQBGMVVNMQF-UHFFFAOYSA-N;126.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173146;MM173146;C=COC(=C)C(C)CN;AQUQZVFLAIPUAL-UHFFFAOYSA-N;127.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173147;MM173147;C=COC(=C)C(C)CO;CNUOUBGXFVNKKE-UHFFFAOYSA-N;128.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173148;MM173148;C=C(OC=O)C(C)CO;YSWPTFRXCOUSTP-UHFFFAOYSA-N;130.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173149;MM173149;C=COC(=C)C(C)CF;UXMCKMPSTVJIGX-UHFFFAOYSA-N;130.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173150;MM173150;C=COC(=C)C(N)CC;FEBNCTDZRAHDHB-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173151;MM173151;C=COC(=C)C(N)CN;QAVJZMQNPJCWPJ-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173152;MM173152;C=C(OC=O)C(N)CN;KRUQQWVPXYRLIY-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173153;MM173153;C=COC(=C)C(N)CO;YRJPFJBYJWPWJI-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173154;MM173154;C=COC(=C)C(O)CC;USAIMEWVISHFMO-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173155;MM173155;C=COC(=C)C(O)CN;UNKMBZYOHYVMAL-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173156;MM173156;C=COC(=C)C(O)CF;JRYJERVPUUSFMC-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173157;MM173157;C=COC(=C)C(F)CC;RMDSMGNYHSLFNJ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173158;MM173158;C=COC(=C)C(F)CN;HWTCKNUNKBLFNL-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173159;MM173159;C=COC(=C)C(F)CO;NPVSKLVTVCPEEP-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173160;MM173160;C=COC(=O)C(N)CN;HZLODQCXIUAOBK-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173161;MM173161;C=COC(=O)C(O)CC;KGVSOPFIFAGTSN-UHFFFAOYSA-N;130.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173162;MM173162;C=COC(=O)C(O)CN;PTRNHQCZXJDIQV-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173163;MM173163;C=COC(=O)C(O)CF;GPVAVGXVDNPURM-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173164;MM173164;C=COC(=O)C(F)CC;VPNLNXCMYQPUOG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173165;MM173165;C=COC(=O)C(F)CO;OEFUHPUYKFWVJH-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173166;MM173166;C=COC(=O)C(F)CF;ZRMWQRADLIJTDY-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173167;MM173167;C=NOC(=O)C(C)CC;RIBGAKOTWBTQHC-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173168;MM173168;C=NOC(=O)C(N)CN;ZRISQAWZAQJNQZ-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173169;MM173169;C=NOC(=O)C(O)CF;XKMJDCKNACKAGJ-UHFFFAOYSA-N;135.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173170;MM173170;C=COC(=C)C(C)OC;MMYXVPLLFHLSIV-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173171;MM173171;C=C(OC=O)C(C)OC;YNKBDXJXGDJWQG-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173172;MM173172;C=COC(=O)C(C)OC;DIEGDDLWYGRDNE-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173173;MM173173;CCN(C)C(=N)CC#N;USOMYLKQGWQBFT-UHFFFAOYSA-N;125.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173174;MM173174;C=CCC(=O)N(C)CC;RHRZPNIVWQGJTP-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173175;MM173175;C=CCC(=N)N(C)NC;LSHHFVQUSMQZTN-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173176;MM173176;CNN(C)C(=N)CC=O;FTTKVKYHOQXKAU-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173177;MM173177;C=CCC(=O)N(C)NC;OLUOVSTZEOLVTF-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173178;MM173178;CNN(C)C(=O)CC=O;XYSBQSMADMJHNP-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173179;MM173179;CCN(C)C(=N)NC=N;PRWJLBTTZQGZJK-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173180;MM173180;CCN(C)C(=N)NC=O;ZTOFTQMSGUDMMV-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173181;MM173181;CCN(N)C(=N)NC=O;XAOSWOGMGIPYTQ-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173182;MM173182;CCN(O)C(=N)NC=N;SZKYUAZJFWVXHX-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173183;MM173183;CC(O)(C=NN)C=NN;OLHCWWKABHZQTF-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173184;MM173184;C=CNC(=O)N(O)CC;HPYHZRBZBBVHDL-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173185;MM173185;C=NNC(=N)N(C)CC;GWGGJLKRRLBCNA-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173186;MM173186;C=CNC(=N)N(C)NC;LROXBLVQZTVCFP-UHFFFAOYSA-N;128.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173187;MM173187;CNN(C)C(=N)NC=N;VVDXESCMPKBDNY-UHFFFAOYSA-N;129.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173188;MM173188;CNN(C)C(=N)NC=O;XMXHFULQNGHRDI-UHFFFAOYSA-N;130.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173189;MM173189;CC(=O)NN(C)C(C)C;PRPHSDYEXCPKKJ-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173190;MM173190;CC(=NN)C(C)(O)CO;XIYLADZLJCGZFG-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173191;MM173191;CCC(=O)NN(C)CC;NLOMFTFQHORZRK-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173192;MM173192;C=NNC(=N)N(C)NC;ZMYUCYPAKMAYOF-UHFFFAOYSA-N;129.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173193;MM173193;CC(O)(C=O)CN1CC1;CCYNAAOHHIDLOI-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173194;MM173194;C=NOC(=O)N(C)CC;BVOLFOGJUMLMPA-UHFFFAOYSA-N;130.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173195;MM173195;C=NOC(=O)N(N)CC;DQNXSMFREQHCRE-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173196;MM173196;C=NOC(=N)N(C)NC;DHIDVVKMOGJJNR-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173197;MM173197;C#CCC(=C)C(C)CC;VVZGKRATMFTJFE-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173198;MM173198;C#CCC(=C)C(C)CN;BDHHCMWTKSWMTG-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173199;MM173199;COCC=CC(=O)NN;BIBFTHFILQTNSV-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173200;MM173200;C#CCC(=C)C(C)CF;ZDCLSYNRYCIFMI-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173201;MM173201;C#CCC(=C)C(N)CC;CEYANZNEVAGKFP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173202;MM173202;C#CCC(=C)C(N)CN;JRUYKLDAMVYJQK-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173203;MM173203;C#CCC(=C)C(N)CO;VFCBFVZUCCBQDX-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173204;MM173204;C#CCC(=C)C(N)CF;PFQJRCGNPHFVPL-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173205;MM173205;CN1CC1CC(=O)NN;LHOYSWNJOUXPJD-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173206;MM173206;C#CCC(=C)C(O)CN;SFUJYTHNVGZGGR-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173207;MM173207;C#CCC(=C)C(O)CO;HTTKWWUZZSXPHO-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173208;MM173208;C#CCC(=C)C(O)CF;NITYEKBRWUBMAQ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173209;MM173209;C#CCC(=C)C(F)CC;BQXHATZASFCQAR-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173210;MM173210;C#CCC(=C)C(F)CN;QLJAQKPVCJBQPY-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173211;MM173211;C#CCC(=C)C(F)CO;TVONSXZQYHSKSD-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173212;MM173212;C#CCC(=O)C(C)CC;CQCMFSUPKGYYFC-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173213;MM173213;C#CCC(=O)C(C)CF;RFQQFDTZPOGHEQ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173214;MM173214;C#CCC(=O)C(O)CC;XCPXBAUZRMETJZ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173215;MM173215;C#CCC(=O)C(O)CF;AYXGIRQCLSAXPC-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173216;MM173216;C#CCC(=O)C(F)CO;IPPYOFXMBYTUEI-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173217;MM173217;C#CCC(=C)C(C)NC;XHILARZYLRHCSL-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173218;MM173218;C#CCC(=C)C(C)OC;ZXUXBHFNNULHKA-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173219;MM173219;C#CCC(=O)C(C)OC;BTFDYWHWKHRQBT-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173220;MM173220;C#CCC(=N)N(N)CC;PFFTWWRCMVBKKG-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173221;MM173221;C#CCC(=O)N(C)CC;DQDPNZWBTNQPQP-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173222;MM173222;C#CCC(=O)N(C)NC;JJSNXNYXCSPUAW-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173223;MM173223;C=CC(C)C(=C)CCC;UDDMGVVYRMKNMD-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173224;MM173224;C=CC(C)C(=C)CCN;XPYHAENSYXQAGF-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173225;MM173225;C=CC(C)C(=C)CCF;KVAYDTZBPQCWHF-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173226;MM173226;C=C(CCC)C(C)C=O;FKZKMJSMYPIURU-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173227;MM173227;C=C(CCC)C(C)C#N;HXRLCSMQIQJZSC-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173228;MM173228;C=C(CCO)C(C)C#N;KOBBRPRQZBOCOL-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173229;MM173229;C=C(CCF)C(C)C=O;IHCNWBFQNKFMQB-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173230;MM173230;C=C(CCF)C(C)C#N;GHICYNBPAWYBQY-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173231;MM173231;C=CC(N)C(=C)CCC;LJUNBDNGVUADHF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173232;MM173232;C=CC(N)C(=C)CCF;OTADBMYMZDLJBS-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173233;MM173233;N=c1ncc(F)nn1O;KUEMQJNZTGKAMQ-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173234;MM173234;C=C(CCC)C(O)C=O;PNMDSOSNLYDGJH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173235;MM173235;C=C(CCO)C(O)C#N;FYBFEHDPTRDHMB-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173236;MM173236;C=CC(F)C(=C)CCC;HIYIOMYHKQANIN-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173237;MM173237;C=C(CCC)C(F)C=O;HUSSBBWTAKCFNJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173238;MM173238;C=C(CCF)C(F)C=O;SGIYQOLRLXLWDE-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173239;MM173239;C=CC(C)C(=O)CCC;WIHKYQXWXCVMFR-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173240;MM173240;C=CC(C)C(=O)CCF;IFRVTORVQVYMHG-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173241;MM173241;CC(C=O)C(=O)CCO;PZYOIQAQOIVBSE-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173242;MM173242;C=CC(O)C(=O)CCF;DONZBHPDQFRWBW-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173243;MM173243;O=CC(O)C(=O)CCO;VLANIYKAIBIISW-UHFFFAOYSA-N;132.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173244;MM173244;N#CC(O)C(=O)CCO;CZEZTVQRMWXEPB-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173245;MM173245;C=CC(F)C(=O)CCC;PMNUEKYIDBZEMA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173246;MM173246;N#CC(F)C(=O)CCO;JAERTNMWOLNBDY-UHFFFAOYSA-N;131.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173247;MM173247;C=C(CNC)C(O)C=O;AVBKUNZJTXXZTJ-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173248;MM173248;C=CC(C)C(=C)COC;IQLFBABNGVXYJL-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173249;MM173249;C=C(COC)C(C)C=O;HDYKOBZFLOSENQ-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173250;MM173250;C=C(COC)C(C)C#N;KFMWBBQCFRUZAS-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173251;MM173251;C=C(COC)C(O)C=O;PKAJMAGGCHOLJO-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173252;MM173252;C=CC(F)C(=C)COC;BZFGUWISTRDLNN-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173253;MM173253;COCC(=O)C(O)C=O;NQRROTPEYOXBGF-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173254;MM173254;C=CC(C)C(=N)NCC;FCHAENAXAZLLOQ-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173255;MM173255;CCNC(=N)C(C)C#N;CVARNMLWMUWWHG-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173256;MM173256;C=CC(N)C(=N)NCC;IGDWVZRTTODFNG-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173257;MM173257;C=CC(O)C(=N)NCC;MEGDGAGVPGAQRA-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173258;MM173258;CCNC(=O)C(O)C=O;AHXDIWDHBZPIKF-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173259;MM173259;CCNC(=O)C(O)C#N;MDVWIJXRAWUMIY-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173260;MM173260;C=CC(F)C(=O)NCC;WQRTZEMVOAEBCR-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173261;MM173261;C=CC(N)C(=N)NNC;ARBFGJHDCSLBHN-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173262;MM173262;C=CC(O)C(=N)NNC;MLAXJPYCYYJQOL-UHFFFAOYSA-N;129.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173263;MM173263;CN1CC1CNNC=O;DXWOLEDPGHSGGQ-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173264;MM173264;CCC1=CC(=NN)CO1;RSMGULNMQQEJLB-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173265;MM173265;CNNC(=O)C(C)C=O;IIQUSQBQGNPFBX-UHFFFAOYSA-N;130.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173266;MM173266;CNNC(=O)C(C)C#N;CQFNWTYYPVFBPH-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173267;MM173267;CNNC(=O)C(O)C=O;KDUZOGSVITXZNA-UHFFFAOYSA-N;132.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173268;MM173268;CNNC(=O)C(F)C=O;DTXSQSYYPIAHLU-UHFFFAOYSA-N;134.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173269;MM173269;C=CC(C)C(=N)NOC;UMHBAPASYHCRSS-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173270;MM173270;NNC(=O)CCN1CC1;KVCKATMJOYTDQQ-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173271;MM173271;CC(=O)NN(C)C(C)(C)C;SFVGHZBKFJHZRW-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173272;MM173272;C#Cc1nc(=O)n(O)n1O;GLQNZDOEVHJEBX-UHFFFAOYSA-N;141.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173273;MM173273;ON=C(CF)OCCF;COTOCROAJAQPSN-UHFFFAOYSA-N;139.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173274;MM173274;COC(=NO)C(CO)=NO;SSSRWBGXOHSJGY-UHFFFAOYSA-N;148.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173275;MM173275;CC#CC(O)C(=NO)OC;FQHFTQSFPMTXDQ-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173276;MM173276;N#CC(C=NO)C(F)F;SIUZRCHHYQYXMZ-UHFFFAOYSA-N;134.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173277;MM173277;CC#CCC(CF)=NO;JOZAQHJWEGTKQW-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173278;MM173278;C=CC(C)C(=C)OCC;JRCXUKWTYISSPE-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173279;MM173279;C=C(OCC)C(C)C=O;HMFSPWWGEMSZEB-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173280;MM173280;C=C(OCC)C(C)C#N;CDZCRPZBBCWKHD-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173281;MM173281;C=CC(N)C(=C)OCC;IDYDXORGKJHEJP-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173282;MM173282;C=CC(O)C(=C)OCC;BRPDZJNTGIVFKU-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173283;MM173283;C=CC(F)C(=C)OCC;VMFLGIDFPVZOJQ-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173284;MM173284;C=CC(C)C(=O)OCC;WDCCXADRWCXXOR-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173285;MM173285;CCOC(=O)C(C)C=O;VVCYNVCCODBCOE-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173286;MM173286;C=CC(O)C(=O)OCC;HMCVHEYVNMVFDP-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173287;MM173287;CCOC(=O)C(O)C=O;WXBVNAJPRARRFE-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173288;MM173288;C=CC(F)C(=O)OCC;ISGMGZGKMXFMKS-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173289;MM173289;Cc1oc(=NO)[nH]c1O;NQKSGZGIWIYZAL-UHFFFAOYSA-N;130.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173290;MM173290;C=C(CCN)N(C)C=N;CKYBPFIVYFHSNO-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173291;MM173291;C=C(CCO)N(C)C=N;CGHPKEIJXHDPBK-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173292;MM173292;C=C(CCC)N(C)C=O;UEQWCCAIUKYPSU-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173293;MM173293;C=C(CCN)N(C)C=O;ZEABOBLCPFLRLN-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173294;MM173294;C=C(CCF)N(C)C=O;KNIHHJDUGBGJLB-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173295;MM173295;C=C(CCC)N(N)C=N;VQEDVFLIXZCBQZ-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173296;MM173296;C=C(CCC)N(N)C=O;SJVFYVLQDQRLOI-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173297;MM173297;C#CC(C)(C)CC(=O)NN;UBTNQTORXCLWKA-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173298;MM173298;C=C(CCC)N(O)C=N;TZLCTQPOJNJMLP-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173299;MM173299;C=C(CCN)N(O)C=N;PDVCAODOHLTMNA-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173300;MM173300;C=C(CCO)N(O)C=N;VHAAOEPFWUMEHN-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173301;MM173301;C=C(CCC)N(O)C=O;IATPQDDIUZZXPJ-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173302;MM173302;C=C(CCN)N(O)C=O;JVXORAWODUMFGL-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173303;MM173303;C=C(CCF)N(O)C=O;IUXAFHKAENFHQX-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173304;MM173304;C=CN(C)C(=N)CCC;AXYCZOPGOMKOJM-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173305;MM173305;C=CN(C)C(=N)CCN;XZNMKTYKPJCQID-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173306;MM173306;C=CN(C)C(=N)CCO;HUIXISTUBQQQFN-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173307;MM173307;CCCC(=N)N(C)C=N;MBBZZKDKMLYYFM-UHFFFAOYSA-N;127.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173308;MM173308;CN(C=N)C(=N)CCN;VMPNACHQMAQZRP-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173309;MM173309;CN(C=N)C(=N)CCO;WVQBITREMQPQHB-UHFFFAOYSA-N;129.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173310;MM173310;CN(C=N)C(=N)CCF;YSKNPJJYADLPGW-UHFFFAOYSA-N;131.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173311;MM173311;CN(C=O)C(=N)CCN;PJPPWXVLCGPBNL-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173312;MM173312;CNN=CC(C)(O)C=NN;HOTXAMWUCLZGBL-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173313;MM173313;N=CN(N)C(=N)CCO;YXLWRFIOFAQXPK-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173314;MM173314;CCCC(=N)N(N)C=O;PVUXBXHJZWUISI-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173315;MM173315;CNC(=O)CC(=O)N(C)N;UWDASDOHFWQDSE-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173316;MM173316;C=CN(O)C(=N)CCN;OHCAFTIZTQQRRE-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173317;MM173317;C=CN(O)C(=N)CCO;XTRBOHNOQCMASJ-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173318;MM173318;C=CN(C)C(=O)CCC;WTQKCSHGGMGBDC-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173319;MM173319;C=CN(C)C(=O)CCN;LHDFMYXHRUPDSJ-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173320;MM173320;C=CN(C)C(=O)CCO;LFJQYSXJBKEZJU-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173321;MM173321;CN(C=N)C(=O)CCN;LXIOJCWOELALOG-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173322;MM173322;CONC(=N)OC(=O)CO;ONQPLYWCDGCERU-UHFFFAOYSA-N;148.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173323;MM173323;CCN(NC(C)=O)C(C)C;XLAQBNHIGPTLMQ-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173324;MM173324;CN(C=O)C(=O)CCN;YMIJREWWTKIZEN-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173325;MM173325;CN(C=O)C(=O)CCO;GOLZFDUOQQYPIF-UHFFFAOYSA-N;131.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173326;MM173326;CC1CN1CC(C)(O)C=O;WNQPCXMRYNYFBB-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173327;MM173327;Cc1nc(=N)n(O)nc1F;NVHYJCIKMHOCDO-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173328;MM173328;CCCC(=O)N(N)C=N;JEKVYNVQQHMMLJ-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173329;MM173329;CCC(=O)NN(CC)CC;JXLDJUJUTNISCT-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173330;MM173330;CNC(=O)CC(CO)=NN;XJOSCFAMVUTURQ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173331;MM173331;C=CN(O)C(=O)CCN;HTLYBMFWPFKIGR-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173332;MM173332;C=CN(O)C(=O)CCO;LHHBCXAJIPZTSI-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173333;MM173333;C=C(CNC)N(C)C=N;LEAGIJUXMNFFFV-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173334;MM173334;C=C(CNC)N(N)C=O;XFMFTDRGBWWEPJ-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173335;MM173335;C=C(CNC)N(O)C=N;LNIOJNKTBUDFEE-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173336;MM173336;C=CN(C)C(=N)CNC;UCOKEGDQAHTALH-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173337;MM173337;CNCC(=N)N(C)C=N;SMPVZYJXZVHRFD-UHFFFAOYSA-N;128.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173338;MM173338;C=CN(C)C(=O)CNC;MOLDYVWBYVCTSV-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173339;MM173339;CNCC(=O)N(C)C=N;RSDFGBDVBGWKCN-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173340;MM173340;CNCC(=O)N(C)C=O;BTTJZZUOXJFPIL-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173341;MM173341;C=CN(N)C(=O)CNC;YUNXIPLVGYZVKI-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173342;MM173342;CNCC(=O)N(N)C=N;OZONAHSLCRQAEG-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173343;MM173343;CNCC(=O)N(N)C=O;KXLDQPJMZNPZFO-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173344;MM173344;COCC(=N)N(C)C=O;VWJUXTPJSNSRLZ-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173345;MM173345;C=CC(=NN)OC(=O)CO;IQRJPQGSFCFGKE-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173346;MM173346;C=CC1(CC(=O)NN)CN1;RQXHZVRHSKJMIE-UHFFFAOYSA-N;141.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173347;MM173347;NC=NN=COC(=O)CO;BRCYTCCEPSYNDQ-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173348;MM173348;C=NN(C)C(=O)CCN;ZBPAWEJLBRIQKL-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173349;MM173349;CCCON=CC(O)CF;ICBPESMIKIDPEX-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173350;MM173350;OC(C=NOCCF)CF;CBWMRZKOTACDQB-UHFFFAOYSA-N;153.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173351;MM173351;CNN=CC(=CF)NC=O;MDXWWUDNEZBTCF-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173352;MM173352;CCNC(=N)N(C)C=N;IITOPJJUYXRSLW-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173353;MM173353;CCNC(=O)N(C)C=O;SVIMGJXYPZFPLL-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173354;MM173354;NN=C(NNC=O)C(N)=O;ZNVYYCWPWJFYLZ-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173355;MM173355;C=CN(C)C(=N)NNC;IELROKYSGKAHMW-UHFFFAOYSA-N;128.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173356;MM173356;CNNC(=N)N(C)C=N;HSNJQPAJQIZTGO-UHFFFAOYSA-N;129.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173357;MM173357;C=CN(N)C(=N)NNC;QZQZCAQVUMEBKF-UHFFFAOYSA-N;129.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173358;MM173358;CNNC(=N)N(N)C=N;QIULTUGZZRPXLZ-UHFFFAOYSA-N;130.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173359;MM173359;C=CN(O)C(=N)NNC;BUERAPPOBXVDMP-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173360;MM173360;CCc1nc(=N)nnn1O;RQMOHXCIWZIBRD-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173361;MM173361;N=CNc1coc(CO)n1;WDAVDQNBYAIBIA-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173362;MM173362;NN=c1ncc(N)nn1O;ILZJNXOQYQIWNX-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173363;MM173363;CN=c1ncc(F)nn1O;XYAYJBHMCJMWPR-UHFFFAOYSA-N;144.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173364;MM173364;CONC(=N)N(C)C=N;PAUFFVAIZAYANS-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173365;MM173365;C=CN(N)C(=N)NOC;VDOVYAONEFVDNX-UHFFFAOYSA-N;130.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173366;MM173366;C=CN(C)C(=O)NOC;HCCLKSLPRBJRDE-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173367;MM173367;C=CC(=O)NN(C)C;IQCDTWQIGNEYMY-UHFFFAOYSA-N;114.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173368;MM173368;CONC(=O)N(C)C=O;VXUSISTWCZRBEE-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173369;MM173369;C=CN(N)C(=O)NOC;QJJSDZWYSSAOQC-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173370;MM173370;CONC(=O)N(N)C=N;QQLTWYXHAKXMPV-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173371;MM173371;C=CCNNC(C)=O;XDIREBUVTMSKFK-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173372;MM173372;C=NN(C)C(=N)NNC;FEFZLLHCLYUMIT-UHFFFAOYSA-N;129.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173373;MM173373;C=NN(C)C(=O)NOC;KYKBSPWCCJNMIL-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173374;MM173374;C=C(OCC)N(C)C=O;KEXATQOFQIKDER-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173375;MM173375;C=C(OCC)N(N)C=O;KQFCTGGZGJENHJ-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173376;MM173376;CCOC(=N)N(C)C=O;SRXBYPGOFWHYCF-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173377;MM173377;CCOC(=N)N(N)C=O;ABIMFOUJXSKFFY-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173378;MM173378;C=CCC(=O)NNC;CXNJZGOFDDKOJK-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173379;MM173379;C=CN(C)C(=O)OCC;CJBXJRJIJSTXJL-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173380;MM173380;CCOC(=O)N(C)C=O;BNPNDLXNONIZKN-UHFFFAOYSA-N;131.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173381;MM173381;C=CN(N)C(=O)OCC;KFSPSPIFWJKZFG-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173382;MM173382;CCOC(=O)N(N)C=N;BVZPBQZTXFCOFG-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173383;MM173383;C=NN(C)C(=N)OCC;GBCNLZRMJFEEMA-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173384;MM173384;C=CCC(=C)C(C)C=C;KKDFJDLFLUKGFP-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173385;MM173385;C=CC(C)C(=C)CC=O;UHMWZKSIIYJASQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173386;MM173386;C=CC(C)C(=C)CC#N;OMEIBGXGPCIXFN-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173387;MM173387;C=CCC(=C)C(C)C=O;OJMDMAHVHYYTMJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173388;MM173388;C=CCC(=C)C(C)C#N;GKDIMFCOBKSBKN-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173389;MM173389;C=C(CC=O)C(C)C=O;KLNQAFYYOXRGHR-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173390;MM173390;C=C(CC#N)C(C)C#N;ALWQKTOPXXRJFV-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173391;MM173391;C=CCC(=C)C(N)C=C;RSLZKXHEIIKLBQ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173392;MM173392;C=CCC(=C)C(O)C=O;BVIVFUBSRLNGBA-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173393;MM173393;C=CCC(=C)C(O)C#N;ORZKGZRYSZBAHU-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173394;MM173394;C=C(CC=O)C(O)C=O;ZHKFWHFGMLSXLT-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173395;MM173395;C=CCC(=C)C(F)C=C;GYPHYIWBLXUMJP-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173396;MM173396;C=CC(F)C(=C)CC=O;CVSLSGWWEWKZBD-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173397;MM173397;C=CC(F)C(=C)CC#N;GBKYNVVUJFRARA-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173398;MM173398;C=CCC(=C)C(F)C=O;GKQQSUBZKBDISH-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173399;MM173399;C=C(CC=O)C(F)C#N;WGOMMTJWOJXQRN-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173400;MM173400;C=CCC(=O)C(C)C=C;FMUIIQHBRRVFJO-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173401;MM173401;C=CCC(=O)C(C)C=O;DRWWPYYEMSSZGL-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173402;MM173402;C=CCC(=O)C(O)C=O;FLIMGVGFIUOTGB-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173403;MM173403;C=CC(F)C(=O)CC#N;XIUIPJJXAFZPGD-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173404;MM173404;C=CCC(=O)C(F)C#N;RAHLFKGUEXQGLL-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173405;MM173405;C=CC(C)C(=C)NC=N;UTHFQWUPWOTECK-UHFFFAOYSA-N;124.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173406;MM173406;C=CC(C)C(=C)NC=O;GEEUZRMENPOLSE-UHFFFAOYSA-N;125.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173407;MM173407;C=C(NC=O)C(C)C=O;NETWESDMFYSGDK-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173408;MM173408;C=CC(O)C(=C)NC=N;OTEWUDKANKLLEC-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173409;MM173409;C=C(NC=O)C(O)C=O;FQTIBWCLBTYVGE-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173410;MM173410;C=CC(F)C(=C)NC=O;KGXSTMGANOHWRZ-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173411;MM173411;C=C(NC=N)C(F)C=O;YTSUXEKGQBCMGK-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173412;MM173412;C=C(NC=O)C(F)C=O;IDMFYLRYWLAORH-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173413;MM173413;C=CNC(=N)C(C)C=C;FYSTZEMVMSOIQF-UHFFFAOYSA-N;124.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173414;MM173414;C=CNC(=N)C(C)C=O;VBILTXVSCZQEMP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173415;MM173415;CN=C1COC(=N)N1;ALPCJVSTWREJHT-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173416;MM173416;C=CNC(=N)C(N)C=C;SWEYORCUGJCSRP-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173417;MM173417;C=CC(N)C(=N)NC=N;RFXUYBNCXLJRMG-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173418;MM173418;C=CNC(=N)C(O)C=C;FNWQDTGBCBUIKW-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173419;MM173419;C=CC(O)C(=N)NC=N;LMZFOOSTGYUPFT-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173420;MM173420;C=CC(O)C(=N)NC=O;LJNUFPNAANSTAH-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173421;MM173421;C=CN=C(N)C(O)C=O;YHFMSPKGUASWRF-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173422;MM173422;C=CNC(=O)C(C)C=C;XOECLEJEUQXURG-UHFFFAOYSA-N;125.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173423;MM173423;C=CC(C)C(=O)NC=O;OOQYRUDGYXELJX-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173424;MM173424;C=CNC(=O)C(C)C#N;VZSYPEZHGWZHHK-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173425;MM173425;N#CC1=C(N)CC=C1;DWOFBMKQRRLGOI-UHFFFAOYSA-N;106.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173426;MM173426;CC(C#N)C(=O)NC=N;IBBOVOZRKOKXSP-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173427;MM173427;CC(C#N)C(=O)NC=O;IIDKLRQTUOBPBY-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173428;MM173428;N=CN(N)C(=O)C(N)=O;QSPJIQZVOKNWGY-UHFFFAOYSA-N;130.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173429;MM173429;C=CNC(=O)C(O)C=C;AIJRPWGIKYURKU-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173430;MM173430;C=CC(O)C(=O)NC=N;PTGVFXWDJRPJMQ-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173431;MM173431;C=CC(O)C(=O)NC=O;YABARWROLQGALV-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173432;MM173432;C=CNC(=O)C(O)C=O;QHRANFQMOIRLNA-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173433;MM173433;C=CNC(=O)C(O)C#N;QSBOSZIRABZGCU-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173434;MM173434;N#CC(O)C(=O)NC=N;ULFQHRBMTMHRMH-UHFFFAOYSA-N;127.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173435;MM173435;N#CC(O)C(=O)NC=O;NVEJPNJDMYLDPL-UHFFFAOYSA-N;128.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173436;MM173436;C=CNC(=O)C(F)C#N;AKPKMEXISALFGS-UHFFFAOYSA-N;128.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173437;MM173437;CC1OC(=N)N(N)C1=N;UIXBALOOHXCEOR-UHFFFAOYSA-N;128.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173438;MM173438;Cn1c(O)nc(N)c1O;DBOHIWLCUOXVTB-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173439;MM173439;C=COC(=C)C(C)C=C;OQNWYZDQWMBZTJ-UHFFFAOYSA-N;124.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173440;MM173440;C=CC(C)C(=C)OC=O;LSMFPBXHULDHPC-UHFFFAOYSA-N;126.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173441;MM173441;C=COC(=C)C(C)C=O;QULCYGLZDWPUJF-UHFFFAOYSA-N;126.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173442;MM173442;C=C(OC=O)C(C)C#N;MTLGYSRQYQUFFU-UHFFFAOYSA-N;125.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173443;MM173443;C=COC(=C)C(N)C=C;HVZGWBARJWQXKE-UHFFFAOYSA-N;125.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173444;MM173444;C=COC(=C)C(O)C=C;DKQBBBKHWIHVAF-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173445;MM173445;C=COC(=C)C(F)C=C;CEORAIVHJPSDJP-UHFFFAOYSA-N;128.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173446;MM173446;C=CC(F)C(=C)OC=O;ZCACADLWFGOYAF-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173447;MM173447;C=COC(=O)C(C)C=C;ZLQPUJFKIAOHFT-UHFFFAOYSA-N;126.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173448;MM173448;C=COC(=O)C(O)C=O;FOPCSUUQUDERSN-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173449;MM173449;C=COC(=O)C(F)C=C;XWKBVRLMGQAFLA-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173450;MM173450;C=COC(=O)C(F)C#N;WUTMVZYOOLXFIU-UHFFFAOYSA-N;129.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173451;MM173451;C=CC(C)C(=O)ON=C;NELAANGAHPWOSD-UHFFFAOYSA-N;127.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173452;MM173452;C=NOC(=O)C(O)C=O;NOLSMGONPWRJHD-UHFFFAOYSA-N;131.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173453;MM173453;C=CC(F)C(=O)ON=C;FSJRWGQMBGMNHJ-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173454;MM173454;C=CCC(=C)N(C)C=O;ZGLWIOCCTYOWLU-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173455;MM173455;C=C(CC#N)N(C)C=O;IZYZZIYCTASIQM-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173456;MM173456;C=CCC(=C)N(N)C=N;NWXMZANJRZIGNO-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173457;MM173457;C=C(CC=O)N(O)C=N;BEMXEJVDNBUMHI-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173458;MM173458;Cc1nc(=N)nnn1O;WWMZROUPZBRQFL-UHFFFAOYSA-N;127.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173459;MM173459;C=CCC(=O)N(C)C=C;NDUFZEBGTLEPNS-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173460;MM173460;C=CCC(=O)N(C)C=N;VQZWQUYQKLPXBA-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173461;MM173461;CN(C=N)C(=O)CC=O;RKHYFYMLOWEOCV-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173462;MM173462;CN(C=O)C(=O)CC=O;FBIVMDWHNKWSOR-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173463;MM173463;C=NN(C)C(=O)CC#N;ZUWFPHWVOVRZRJ-UHFFFAOYSA-N;125.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173464;MM173464;C=C(NC=N)N(C)C=N;MAHAILPOMVOARP-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173465;MM173465;C=C(NC=N)N(C)C=O;VCBJEVPLZDSEQA-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173466;MM173466;C=C(NC=N)N(N)C=N;SYBFYBKJGFQTAO-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173467;MM173467;C=C(NC=O)N(N)C=N;VZFYUHYDAYNIDE-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173468;MM173468;C=C(NC=N)N(N)C=O;XLSVOQUEDGDAQK-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173469;MM173469;C=C(NC=N)N(O)C=N;ZNCAHPOBBKJQII-UHFFFAOYSA-N;128.14;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173470;MM173470;C=C(NC=O)N(O)C=N;XBKYPBKWISWDSU-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173471;MM173471;C=C(NC=O)N(O)C=O;FPNCKAMNZDYRFC-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173472;MM173472;C=CN(C)C(=N)NC=N;VKDQZYQJXYTAIU-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173473;MM173473;C=CN(C)C(=N)NC=O;NSAGHZOEGKVQAR-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173474;MM173474;C=CNC(=N)N(C)C=O;PYIZDHNXGYCTTM-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173475;MM173475;C#CC(O)C(C)N1CC1;YCSLCIIFXXNZCJ-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173476;MM173476;C=CN(N)C(=N)NC=N;NJJMOCMNIXMUSC-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173477;MM173477;C=CN(N)C(=N)NC=O;JLRIUHPTFVKIDH-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173478;MM173478;C=CNC(=N)N(N)C=N;CPGMEHXWEISLOX-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173479;MM173479;N=CN(N)C(=N)NC=O;CPUGPLMUCMOSRJ-UHFFFAOYSA-N;129.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173480;MM173480;C=CNC(=N)N(N)C=O;QSESTTWZGBBLSU-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173481;MM173481;N=CNC(=N)N(N)C=O;LFMPKBAGPKDCIB-UHFFFAOYSA-N;129.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173482;MM173482;C=NOC(=O)CC(=O)NC;QZWZKXJCEQNMJW-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173483;MM173483;C=CN(O)C(=N)NC=N;RTRVOMQLSQCLKC-UHFFFAOYSA-N;128.14;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173484;MM173484;C=CNC(=N)N(O)C=N;MJIKWXPMHDTNKY-UHFFFAOYSA-N;128.14;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173485;MM173485;N#CC=C(N)NC(=O)CO;UOORLVWXNPYANC-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173486;MM173486;N=CN=c1oc(=O)on1O;ZODRRSLZRVBQJS-UHFFFAOYSA-N;145.07;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173487;MM173487;NN=CCC(O)(CO)CO;MFMKYNZPYLRPAD-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173488;MM173488;C=CN(N)C(=O)NC=O;DXCWUHTXWCWHFT-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173489;MM173489;C#CC(O)CN=C(N)C=O;SFXYGWLUSUYLKT-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173490;MM173490;CCC(CC)NNC(N)=O;VTPXDPFHRGJIHW-UHFFFAOYSA-N;145.21;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173491;MM173491;C=CN(O)C(=O)NC=N;HVOZQCOPINEAGZ-UHFFFAOYSA-N;129.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173492;MM173492;C=CN(C)C(=O)NN=C;CMAJXJMCXSUCMH-UHFFFAOYSA-N;127.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173493;MM173493;C=CNC(=N)N(C)N=C;AGWPZEAICSHKFQ-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173494;MM173494;CN(C=O)C(=N)OC=O;NOYIHIIFTJXLGN-UHFFFAOYSA-N;130.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173495;MM173495;CCC(O)C(=O)N(N)C=N;JAJKUPFWVIDINN-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173496;MM173496;C=NOC(=N)N(N)C=O;XQOXTAKMEPHSNW-UHFFFAOYSA-N;130.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173497;MM173497;C#CCC(=C)C(C)C=C;OUURADYGMHUMPF-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173498;MM173498;C#CCC(=C)C(C)C=O;WMZDBZKTVRXVGK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173499;MM173499;C#CCC(=C)C(C)C#N;NMEIKFLHYKTHKW-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173500;MM173500;C#CCC(=C)C(N)C=C;JUNBVUXPWMQIJE-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173501;MM173501;C#CCC(=C)C(O)C#N;OEAGLQYUBVJINV-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173502;MM173502;C#CCC(=C)C(F)C=C;HKRYOIZKEYQGPL-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173503;MM173503;C#CCC(=C)C(F)C#N;GTQZSEHJOUGXMY-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173504;MM173504;C#CCC(=O)C(C)C=C;PXQHVWWTQYAYNF-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173505;MM173505;C#CCC(=O)C(O)C=O;ZUHYQAUHICBNNN-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173506;MM173506;C#CCC(=O)C(F)C=C;MPMJGDUWOWPZQB-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173507;MM173507;C#CCC(=C)N(C)C=N;NQSSIYYRSLTWNW-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173508;MM173508;C#CCC(=C)N(N)C=O;POTRUWYHDLWRNZ-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173509;MM173509;C#CCC(=N)N(C)C=C;XHUGLDPTCFPBQI-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173510;MM173510;C#CCC(=N)N(C)C=O;GKCCGYJQTCWTGR-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173511;MM173511;C#CCC(=O)N(C)C=N;HGRFHAWIEQQWJF-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173512;MM173512;C#CCC(=O)N(N)C=N;MTOLAQKPMOJWGP-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173513;MM173513;C#CCC(=O)N(N)C=O;ORUUVIBUJPRSRW-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173514;MM173514;C#CCC(=O)N(O)C=C;FCFBWQBPAGLNHK-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173515;MM173515;C#CCC(=N)N(C)N=C;UENRSPYBXQEMAN-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173516;MM173516;C#CC(C)C(=C)CCC;GSSUEEWOSWVTBA-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173517;MM173517;C#CC(C)C(=C)CCN;HFNKRSZYAVQSMC-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173518;MM173518;C#CC(C)C(=C)CCF;SMIYNBIUZDCRSK-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173519;MM173519;C#CC(N)C(=C)CCN;VXBIITWGZQMRNN-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173520;MM173520;C#CC(O)C(=C)CCC;YAZYUMMRTOCLDM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173521;MM173521;C#CC(O)C(=C)CCN;MKILLRQMNREQNJ-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173522;MM173522;C#CC(O)C(=C)CCF;PDQGMEDHTXKGJT-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173523;MM173523;C#CC(F)C(=C)CCC;LLGAUISCEOXMQV-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173524;MM173524;C#CC(F)C(=C)CCN;FUVYGUOPBWHPRK-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173525;MM173525;C#CC(F)C(=C)CCF;HPXGPACJHFQQJB-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173526;MM173526;C#CC(C)C(=O)CCC;BWVMANQEKWHSFP-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173527;MM173527;C#CC(C)C(=O)CCF;BAYKIVGFHLGKPZ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173528;MM173528;C#CC(F)C(=O)CCC;NFTDYELCKSBOBZ-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173529;MM173529;C#CC(N)C(=C)CNC;ZVALHWXIEWXDND-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173530;MM173530;C#CC(C)C(=C)COC;VDUSLZHLQNDJFJ-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173531;MM173531;C#CC(N)C(=C)COC;FGDMDTUJVSMELX-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173532;MM173532;C#CC(O)C(=O)COC;AQMVUEAIXCMCPH-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173533;MM173533;C#CC(C)C(=N)NCC;GNBQACTUYXZODW-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173534;MM173534;C#CC(O)C(=N)NCC;BZNMCCKTWMKUTN-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173535;MM173535;C#CC(O)C(=O)NCC;XIRYEKUXZCZSJW-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173536;MM173536;N=CN(N)C(=O)NC=CF;QLQLCQVAUJDZQL-UHFFFAOYSA-N;146.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173537;MM173537;C#CC(O)C(=O)NNC;SWHXJTNYTWIBNA-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173538;MM173538;C#CC(F)C(=O)NNC;KFRJDSAXGQBRRV-UHFFFAOYSA-N;130.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173539;MM173539;COc1n[nH]c(O)c1N;IFRLPDBISMOSMF-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173540;MM173540;C#CC(C)C(=C)OCC;CYPOWBJEOORRHD-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173541;MM173541;C#CC(O)C(=C)OCC;NLYWMQSEQOQOJM-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173542;MM173542;C#CC(C)C(=O)OCC;PDQJSLPHXWIGBX-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173543;MM173543;C#CC(F)C(=O)OCC;CBWOKYBHWZCPIJ-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173544;MM173544;C#CC(C)C(=C)CC=C;SINJERJULLZTRM-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173545;MM173545;C#CC(C)C(=C)CC=O;UTRFPUGHMPTVFH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173546;MM173546;C#CC(C)C(=C)CC#N;WAZJXLWZGREKDR-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173547;MM173547;C#CC(N)C(=C)CC=C;JQDXYJQSPYWPDL-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173548;MM173548;C#CC(F)C(=C)CC=C;ZRTKURIXNDMYDZ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173549;MM173549;C#CC(F)C(=C)CC=O;IXDQWARJCRPECZ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173550;MM173550;C#CC(F)C(=C)CC#N;YFJUMUKHFAAULA-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173551;MM173551;C#CC(C)C(=O)CC=C;UFEWFCDCBSOXKQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173552;MM173552;C#CC(O)C(=O)CC#N;DVCIZNHOPSHQMV-UHFFFAOYSA-N;123.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173553;MM173553;C#CC(C)C(=C)NC=N;SHPMGWMXUACRNR-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173554;MM173554;C#CC(C)C(=C)NC=O;WLAOZEZILZKWBO-UHFFFAOYSA-N;123.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173555;MM173555;C#CC(C)C(=N)NC=C;BNWBNMMBXZJOAU-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173556;MM173556;CN=C(N)C(=O)NC=CF;PPVZQVFNDSLMOX-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173557;MM173557;C#CC(N)C(=N)NC=C;NIIHSNLVVSNIGN-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173558;MM173558;CNc1nc(=O)n(N)n1O;BXOKCOKAJNDUKE-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173559;MM173559;C#CC(C)C(=O)NC=O;QUIFCLCLGJVSJC-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173560;MM173560;Cc1c(CO)nc(O)n1C;SZKCNNQCOPXLHY-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173561;MM173561;C#CC(O)C(=O)NC=C;LYNZGGUTIRTTBP-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173562;MM173562;C#CC(O)C(=O)NC=N;FPLSBHPIJKHHOA-UHFFFAOYSA-N;126.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173563;MM173563;C#CC(O)C(=O)NC=O;VFRBYODVZUZJHC-UHFFFAOYSA-N;127.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173564;MM173564;C#CC(F)C(=O)NC=C;NYRQBVMDSDWOGY-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173565;MM173565;Cc1cc(=NN)n(O)nn1;PZDIMTWANCIJRS-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173566;MM173566;C#CC(C)C(=O)NN=C;CFJSEADYODXJDF-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173567;MM173567;C#CC(C)C(=C)OC=C;VXIQXVSIIPKJMB-UHFFFAOYSA-N;122.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173568;MM173568;C#CC(C)C(=C)OC=O;HDYZNRLLXZWURF-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173569;MM173569;C#CC(F)C(=C)OC=C;SBLUUYFGSGWWCV-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173570;MM173570;C#CC(C)C(=O)OC=C;XDSKPOHLMKCQLW-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173571;MM173571;C#CC(F)C(=O)OC=C;WCHVMMHFVNJSSN-UHFFFAOYSA-N;128.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173572;MM173572;C#CC(C)C(=O)ON=C;NMUOOPMWHBCUFH-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173573;MM173573;C#CCC(=C)C(C)C#C;MQIXFKPEYHAZBZ-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173574;MM173574;C#CCC(=C)C(N)C#C;MBOABUHWXCVOGN-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173575;MM173575;C#CCC(=C)C(O)C#C;SAOSYWYMUZHULJ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173576;MM173576;C#CCC(=C)C(F)C#C;QEOAYTCLBLFPTA-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173577;MM173577;C#CCC(=O)C(C)C#C;JHUBPPYTENKAJM-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173578;MM173578;C#CCC(=O)C(O)C#C;CZFWEWDRCOIQAU-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173579;MM173579;C#CCC(=O)C(F)C#C;VEBRIBIMDSKNLN-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173580;MM173580;C=C(CC)C(=C)CCC;HIUXSZZJCFSJOR-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173581;MM173581;C=C(CC)C(=C)CCN;HDAKDWNLBZCRPM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173582;MM173582;C=C(CN)C(=C)CCC;FMHNHIKQBRHTEJ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173583;MM173583;C=C(CN)C(=C)CCN;WZOMNJVWVLPBCC-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173584;MM173584;C=C(CN)C(=C)CCF;JCBIYWYDMCTQOS-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173585;MM173585;C=C(CO)C(=C)CCC;UHFQWNXPVODOJF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173586;MM173586;C=C(CF)C(=C)CCC;DPBPVDWKJALCTL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173587;MM173587;NN=c1cc(N)nnn1O;KYMXKXMCWWMVAJ-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173588;MM173588;C=C(CCF)C(=O)CC;ZDNBHTGLGGOVDE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173589;MM173589;C=C(CCO)C(=O)CO;LTOZVYXSZHIEKZ-UHFFFAOYSA-N;130.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173590;MM173590;C=C(CC)C(=O)CCC;MBLXROIYHWIVRL-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173591;MM173591;C=C(CC)C(=O)CCF;HLFIPFYDGPJCJT-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173592;MM173592;C=C(CO)C(=O)CCO;TUPFKIKMHGEAAA-UHFFFAOYSA-N;130.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173593;MM173593;O=C(CO)C(=O)CCF;KKWWHWKODHACOL-UHFFFAOYSA-N;134.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173594;MM173594;CCCC(=O)C(=O)CF;GJYAYLBQHOXGOB-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173595;MM173595;C=C(CC)C(=C)CNC;VIIDEVCSEUVSDL-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173596;MM173596;C=C(CF)C(=C)COC;NIOTZKIUZZMSCN-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173597;MM173597;C=C(COC)C(=O)CO;SJYUICMKDNYQAN-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173598;MM173598;CCC(=O)C(=O)COC;CGNALJDSHBHNEC-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173599;MM173599;COCC(=O)C(=O)CO;ZLXBJOCOIGPENG-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173600;MM173600;C=C(CCO)C(=N)NN;QBGOZJSZSWCINE-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173601;MM173601;C=C(CCF)C(=N)NN;SVJWSFNFBFGRLE-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173602;MM173602;C=C(CCO)C(=N)NO;FFGARZDSDDGVCR-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173603;MM173603;C=C(CCN)C(=O)NC;QAHOWDXZQGLZMB-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173604;MM173604;C=C(CCN)C(=O)NO;SMDMJPAKBXPIJR-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173605;MM173605;C=C(CCF)C(=O)NO;PFBINERZMKMCTK-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173606;MM173606;CCCC(=O)C(=N)NC;HNFZXUVCINYYJR-UHFFFAOYSA-N;128.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173607;MM173607;NC(=NO)C(=O)CCO;NVSPXOUPZVLMHK-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173608;MM173608;CNC(=O)C(=O)CCO;CZIWQFUZZBNXPP-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173609;MM173609;C=C(CNC)C(=N)NO;BXBVEYHOURAGRP-UHFFFAOYSA-N;129.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173610;MM173610;C=C(CNC)C(=O)NC;PIOTWUOEPLHPJF-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173611;MM173611;COc1cnc(=N)n(O)n1;CHNGSXUCWROUMB-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173612;MM173612;C=C(COC)C(=O)NO;RLKNJOBGCBDTAR-UHFFFAOYSA-N;131.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173613;MM173613;CCNc1cc(N=O)c[nH]1;BMIKHAQFUONBQG-UHFFFAOYSA-N;139.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173614;MM173614;C=C(CCN)C(=C)OC;LZLFKMOQYNQBJX-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173615;MM173615;C=C(CCO)C(=C)OC;VWKAXPVXICXDRM-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173616;MM173616;C=C(CCC)C(=O)OC;QLXPVMDADJJSOC-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173617;MM173617;C=C(CCF)C(=O)OC;BTUXLHAGTDEFBX-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173618;MM173618;C=C(OC)C(=O)CCC;FHFAKXRAEJMXNV-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173619;MM173619;CCCC(=O)C(=O)OC;MBNLVYPIKSWXCT-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173620;MM173620;COC(=O)C(=O)CCO;GRNVOIGSTOCENT-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173621;MM173621;C=C(COC)C(=C)OC;NZJLLKVOSNKYKR-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173622;MM173622;C=C(CC)C(=N)NCC;JMCPSUNPKGDNNW-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173623;MM173623;C=C(CN)C(=N)NCC;DMQSOSLXAPAECB-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173624;MM173624;NN=c1nncc(F)n1O;KSPUMZUZCIEJOR-UHFFFAOYSA-N;145.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173625;MM173625;C=C(CN)C(=O)NCC;LQZYPIYVPDZFIE-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173626;MM173626;CCNC(=O)C(=O)CO;BDYBPSWLDMAOES-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173627;MM173627;C=C(CN)C(=N)NNC;AHHQGVCANZYKGB-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173628;MM173628;C=C(CO)C(=N)NNC;YWGAFYARENEDDZ-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173629;MM173629;Cc1cnnn(O)c1=NN;MWXWENRSKCQLQP-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173630;MM173630;C=C(CN)C(=O)NNC;HRAPWBKPQVDECF-UHFFFAOYSA-N;129.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173631;MM173631;CN1Cc2cn(N)c(O)c21;SJINRZFLDVEDLR-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173632;MM173632;CNNC(=O)C(=O)CO;BDQDPDLHWBLNON-UHFFFAOYSA-N;132.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173633;MM173633;C=C(CC)C(=N)NOC;IYBLSCMDGACDLR-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173634;MM173634;C=C(CN)C(=N)NOC;YNLGPALHIGUDSP-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173635;MM173635;CON=C(N)C(=O)CO;UAPGRZZFARYIIV-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173636;MM173636;C=C(CF)C(=O)NOC;YSPXSVDSWLJDDI-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173637;MM173637;CNc1nc(=O)n(O)n1O;DNJPGQRVCDUIDJ-UHFFFAOYSA-N;146.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173638;MM173638;Cc1nc(=N)on(O)c1=O;HUORVTWOAZEXFI-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173639;MM173639;CCNC(=N)C(=N)NC;ZSEUPLQRATUJAF-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173640;MM173640;CNC1=NN=C(NO)ON1;ZVLUMXTYKZTKMZ-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173641;MM173641;CCN=C(N)C(=O)NO;UCSCQJMJGPCKOU-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173642;MM173642;N=C(C=O)NNC=O;KLJNMMDSVAICPU-UHFFFAOYSA-N;115.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173643;MM173643;CNNC(=N)C(=N)NC;NSVPADFPEHIRMV-UHFFFAOYSA-N;129.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173644;MM173644;CNNC(=N)C(=N)NN;WELKZOMIXPZPQA-UHFFFAOYSA-N;130.16;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173645;MM173645;CNNC(=N)C(=N)NO;PUOVJRSUOYOCKZ-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173646;MM173646;C=C(C)C(=O)NN(C)C;WYJAJRULALUCPL-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173647;MM173647;CNC(=N)C(=N)NOC;SECHLVHRLITQAI-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173648;MM173648;CONC(=O)C(=N)NO;BDVPORJAGCOBAW-UHFFFAOYSA-N;133.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173649;MM173649;C=C(OC)C(=N)NCC;HJJNYBIOQAPZSI-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173650;MM173650;C=C(OC)C(=N)NNC;CGLOCDHGJDSWNE-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173651;MM173651;NN=C(CO)CC(N)=O;CBPMZGXKKRMVAH-UHFFFAOYSA-N;131.14;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173652;MM173652;CNNC(=O)C(=O)OC;KYNHZKRPFSIPEZ-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173653;MM173653;C=C(CC)C(=C)OCC;UNBLCMHLEQHORH-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173654;MM173654;C=C(CN)C(=C)OCC;YALYKGLABJJVMU-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173655;MM173655;C=C(CF)C(=C)OCC;GDGKJAVYFOEQCY-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173656;MM173656;C=C(OCC)C(=O)CC;YCNQRGKYSMVHEK-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173657;MM173657;C=C(OCC)C(=O)CF;VKOKDFOPHCQANN-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173658;MM173658;C=C(CC)C(=O)OCC;OUGJKAQEYOUGKG-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173659;MM173659;C=C(CO)C(=O)OCC;SYGAXBISYRORDR-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173660;MM173660;C=C(CF)C(=O)OCC;UMJWVRIJGCYYTH-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173661;MM173661;CCOC(=O)C(=O)CC;FJAKCEHATXBFJT-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173662;MM173662;CCOC(=O)C(=O)CO;XYVLAYVGTGKUII-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173663;MM173663;C=C(OCC)C(=N)NC;DSJJJINAMCYRAU-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173664;MM173664;C=C(OCC)C(=O)NC;JXHPPKZDSSCOLU-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173665;MM173665;N=C(NNC=O)C(N)=O;AUNCGIGPTZESQG-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173666;MM173666;C=C(OC)C(=C)OCC;XOFGPWCLRLPBCS-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173667;MM173667;C=C(OCC)C(=O)OC;UJSSBAAJQCBUAL-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173668;MM173668;C=C(OC)C(=O)OCC;CTTOYDHUFQNBDZ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173669;MM173669;C=CCC(=C)C(=C)CC;RGVFNVFVXUXXBS-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173670;MM173670;C=C(CC)C(=C)CC=O;QVTYLEJUDNSTHH-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173671;MM173671;C=C(CC)C(=C)CC#N;JIATXTQADSTIAV-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173672;MM173672;C=CCC(=C)C(=C)CN;RKLRXDSUAWZYSY-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173673;MM173673;C=NOCC1(O)CC1O;FTQAXXCHVHMKJD-UHFFFAOYSA-N;131.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173674;MM173674;C=CCC(=C)C(=C)CF;QPGVQHNMMSYNQE-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173675;MM173675;C=C(CF)C(=C)CC=O;DFMMPAPBIYUFDS-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173676;MM173676;C=C(CF)C(=C)CC#N;JWHUFRNXDFMVJN-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173677;MM173677;C=CCC(=C)C(=O)CC;RMTWBPWPPJBTDB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173678;MM173678;C=C(CC=O)C(=O)CC;HALZETFZWWOYQR-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173679;MM173679;C=C(CC=O)C(=O)CO;FANDINUMNBKFBY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173680;MM173680;C=C(CC=O)C(=O)CF;SJEZZLLYMWCGOS-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173681;MM173681;C=CCC(=O)C(=C)CC;XEAWEAXMAMEFGY-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173682;MM173682;C=C(CC)C(=O)CC#N;CTHJZCMEUONKQN-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173683;MM173683;CNn1cc(C)c(O)n1;ZBWYAQGVZQBPJY-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173684;MM173684;Cc1nn(N)c(O)c1F;XOULDCBVPRXHKT-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173685;MM173685;N#CCC(=O)C(=O)CO;HYQSFLWICPXGNZ-UHFFFAOYSA-N;127.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173686;MM173686;C=CCC(=C)C(=N)NC;TWEKDVVYSUZFGC-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173687;MM173687;C=C(CC=O)C(N)=NC;IJLGYEVTYAYIER-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173688;MM173688;C=CCC(=C)C(=N)NN;XGJACIDPXROGTR-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173689;MM173689;N=c1c(NO)non1O;ZCCXMWQYRNRSDN-UHFFFAOYSA-N;132.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173690;MM173690;N#CCC(=O)C(N)=NO;DVDRYHZVCVTYOM-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173691;MM173691;C=CCC(=C)C(=C)OC;MVFWGOFKGQQFNI-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173692;MM173692;C=C(CC=O)C(=C)OC;MHZOPKQOTXGYPK-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173693;MM173693;C=CCC(=C)C(=O)OC;YRXKRJUMDCASGA-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173694;MM173694;C=C(CC#N)C(=O)OC;BWQCZSPDKPYILK-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173695;MM173695;C=C(CC)C(=C)NC=N;LJZJTGZORLHADP-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173696;MM173696;C=C(CC)C(=C)NC=O;YOLQRLIRUGLBCG-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173697;MM173697;C=C(CN)C(=C)NC=O;QZYQTAMWVQJMFU-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173698;MM173698;C=C(CO)C(=C)NC=N;AIOQBYGWOHWTTA-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173699;MM173699;C=C(CO)C(=C)NC=O;XNNQDSVIRBSRGL-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173700;MM173700;C=C(CF)C(=C)NC=O;LQKYOGXFGSURPY-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173701;MM173701;C=C(NC=O)C(=O)CC;JHSVEQDDSFHIGM-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173702;MM173702;C=C(NC=O)C(=O)CO;YOOYMSFAOYTPES-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173703;MM173703;C=C(NC=N)C(=O)CF;MDSDXSPSJGYQOR-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173704;MM173704;C=C(NC=O)C(=O)CF;ZJSSAUJDGPZELQ-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173705;MM173705;C=CNC(=N)C(=C)CC;LNFXYUHOGWKTHR-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173706;MM173706;C=CNC(=N)C(=C)CN;FEWUCBJDNQSFFO-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173707;MM173707;C=C(CN)C(=N)NC=N;OJXWVAZHPPEDNE-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173708;MM173708;C=C(CN)C(=N)NC=O;IIMLCZMIUMUWCH-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173709;MM173709;C=CNC(=N)C(=C)CO;JLEVFQGVKBXOGE-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173710;MM173710;C=C(CO)C(=N)NC=N;LPSKCIPVMHXCMT-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173711;MM173711;C=C(CF)C(=N)NC=N;UBCCHIKNNBOVSN-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173712;MM173712;C=CNC(=N)C(=O)CC;WWJQXKKLFSTSCA-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173713;MM173713;CNc1noc(=O)n1N;BSBBMTWEOHEWED-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173714;MM173714;C=CNC(=O)C(=C)CC;PALVOBVUQPAMKM-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173715;MM173715;C=CNC(=O)C(=C)CN;OVBHQIZIRVZHPX-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173716;MM173716;C=C(CN)C(=O)NC=N;FLXCQHKTGPTCNM-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173717;MM173717;C=C(CN)C(=O)NC=O;COPXIYLELSBARP-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173718;MM173718;C=CNC(=O)C(=C)CO;WGIQBIOQCKAGFF-UHFFFAOYSA-N;127.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173719;MM173719;CN=C(NNC=O)OC;IVHKGAXJPLVJED-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173720;MM173720;C=C(CO)C(=O)NC=O;HYCCWHMIBGIZSX-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173721;MM173721;CN=CN=CNNC=O;PHJJKHQFHFXLHA-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173722;MM173722;C=CNC(=O)C(=O)CO;GUTGLMPIBAOBEQ-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173723;MM173723;C=NN=C(N)C(=O)CO;LBYFPYFTIHYMBO-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173724;MM173724;NN=c1ccnnn1O;IIGBDDCZNYSZOO-UHFFFAOYSA-N;127.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173725;MM173725;C=C(NC=N)C(=N)NC;DWPURJHHCAGZLH-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173726;MM173726;C=C(NC=N)C(=N)NN;JNZCRBUYYNIEHK-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173727;MM173727;C=C(NC=O)C(=N)NN;WSLZUIQZOLWBTE-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173728;MM173728;C=C(NC=N)C(=N)NO;LZRRQBKWOBDWTO-UHFFFAOYSA-N;128.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173729;MM173729;C=C(NC=O)C(=N)NO;AJCXRWCMBXYYPW-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173730;MM173730;C=C(N=CN)C(=O)NC;YHJIIMAYANTCFS-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173731;MM173731;C=C(N=CN)C(=O)NN;KZRMMWRHIDTNPZ-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173732;MM173732;C=CNC(=N)C(=N)NC;RXHHECGMAFIXNN-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173733;MM173733;C=CNC(=N)C(=N)NN;PFYSTGWWXRDHHV-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173734;MM173734;N=C(NN)C(=N)NC=O;MDTOEIVKVNVUQR-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173735;MM173735;CNC(=O)C(=N)NC=O;VBYWMVMEKVGBPR-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173736;MM173736;N=C(NC=O)C(=O)NN;HHWROZYBNYUOCU-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173737;MM173737;C=CN=C(N)C(=O)NO;BZLDGHBFNISHHC-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173738;MM173738;N=CN=C(N)C(=O)NO;NQVPQLYKQVUEEQ-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173739;MM173739;C=NOCC(=O)C(C)(F)F;NPVGFKYTTCPPRJ-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173740;MM173740;CCC(C)(O)CNNC=O;JOXJTEMFEHWZBO-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173741;MM173741;CNN=C(CO)CC(N)=O;HWZVGTCADYNFPN-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173742;MM173742;CC(C)C(O)CNNC=O;OICPOVSKTXEXJR-UHFFFAOYSA-N;146.19;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173743;MM173743;N=c1nc(F)c(N)nn1O;RFFDASCZKFIAAW-UHFFFAOYSA-N;145.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173744;MM173744;C=CNC(=O)C(N)=NO;FLTKGFLIDGLBBM-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173745;MM173745;C=CNC(=O)C(=O)NN;LLZHWABDJHLVBU-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173746;MM173746;N=CNC(=O)C(=O)NN;HYSFDLADEZGHBI-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173747;MM173747;C=NNC(=N)C(=N)NC;NAPIVPANWMJBFT-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173748;MM173748;C=NNC(=O)C(=O)NC;JNYHIVHFVZKFQG-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173749;MM173749;C=C(NC=O)C(=C)OC;HVNMNRHSHCLLTC-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173750;MM173750;C=CNC(=N)C(=C)OC;BVXFVSFNVOWMCF-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173751;MM173751;C=CNC(=O)C(=C)OC;BXUAELVOCCHZGF-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173752;MM173752;COC(=O)C(=O)NC=N;IMOKCCAXTBROHX-UHFFFAOYSA-N;130.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173753;MM173753;C=COC(=C)C(=C)CC;XMRNGGAPUMFVHC-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173754;MM173754;C=C(CC)C(=C)OC=O;JUJKXZWQQQETQH-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173755;MM173755;C=COC(=C)C(=C)CN;DEVJMSXHYOTFHS-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173756;MM173756;C=COC(=C)C(=C)CO;VQRXPFZUDSTGJY-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173757;MM173757;C=COC(=C)C(=C)CF;NCWAPIORVVVSLV-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173758;MM173758;C=C(CF)C(=C)OC=O;WRDVUFRIZLPQSB-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173759;MM173759;C=COC(=C)C(=O)CC;PTEVVUVHCOYRIV-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173760;MM173760;C=C(OC=O)C(=O)CC;MVWGMKXMTPELSD-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173761;MM173761;C=COC(=C)C(=O)CF;AMDMUPDAZUIEOQ-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173762;MM173762;C=COC(=O)C(=C)CC;KMWPUKXIDKZCHZ-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173763;MM173763;C=COC(=O)C(=C)CF;MCDNTMZWVFDXFY-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173764;MM173764;C=COC(=O)C(=O)CC;FHOZINFKRLPDJY-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173765;MM173765;C=NOC(=O)C(=C)CC;UWZJYLZINUYXLN-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173766;MM173766;C=CN(N)C(=O)C(O)CC;ZMLXXECSLUCKQK-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173767;MM173767;C=NOC(=O)C(=O)CF;HFPUSQNWEIIKAT-UHFFFAOYSA-N;133.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173768;MM173768;C=COC(=C)C(=C)OC;UWJGJDFPVWMWJV-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173769;MM173769;C=C(OC)C(=C)OC=O;LIGPNYWJWWNCIK-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173770;MM173770;C=COC(=C)C(=O)OC;RTBXPJPMJKYOHL-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173771;MM173771;C=COC(=O)C(=C)OC;LDYVGVNRVMMBCZ-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173772;MM173772;C=COC(=O)C(=O)OC;RDUXGHHRJWVVPJ-UHFFFAOYSA-N;130.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173773;MM173773;C#CCC(=C)C(=C)CC;LQOXEPUMWLRLSM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173774;MM173774;C#CCC(=C)C(=C)CN;BNIVZCHVKUBVEX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173775;MM173775;C#CC(F)C(O)CNN=C;SOGGLJGHWDCGFL-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173776;MM173776;C#CCC(=C)C(=C)CF;FGBSMFLKIAURRW-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173777;MM173777;C#CCC(=C)C(=O)CC;GNGDUZUZDIPLNM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173778;MM173778;C#CCC(=C)C(=O)CF;RJPWWDQJWNCBBW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173779;MM173779;C#CCC(=O)C(=C)CC;LEDLIACFJWGNTG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173780;MM173780;C#CCC(=O)C(=C)CF;KGGMZISOHUJCKT-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173781;MM173781;C#CCC(=O)C(=O)CC;ZQLZSBPFTOCWDR-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173782;MM173782;C#CCC(=C)C(=N)NN;SOYRHDQPIGLGKQ-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173783;MM173783;C#CCC(=C)C(=N)NO;PJEODRKKGCNTSG-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173784;MM173784;NN=CCC=CC(=O)NN;UPGBSZRGKPJSAS-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173785;MM173785;CC#CCC=CC(=O)NN;JFJMLJMBPOXGFG-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173786;MM173786;C#CCC(=C)C(=O)NO;JGHDNOXACHZVJB-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173787;MM173787;C#CCC(=O)C(N)=NO;XWRPVIHLXFEEQN-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173788;MM173788;C#CCC(=C)C(=C)OC;NLWKQWYQMBKZOB-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173789;MM173789;C#CCC(=C)C(=O)OC;HKOSPMJBTBWTFW-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173790;MM173790;C#CCC(=O)C(=C)OC;ILNVIJSBRNWNJQ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173791;MM173791;C=CC(=C)C(=C)CCC;JNOMNRAXCSXTNR-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173792;MM173792;C=CC(=C)C(=C)CCN;AMNKCWYPZCKIRY-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173793;MM173793;C=CC(O)C#CC=NNC;AJZYMNAMQNMDJJ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173794;MM173794;C=CC(=C)C(=C)CCF;RFNNWMOGSSGYOE-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173795;MM173795;C=C(C=O)C(=C)CCC;GKGYKUOPDWADQN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173796;MM173796;C=C(C#N)C(=C)CCC;CUJHDGYDQYFGDK-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173797;MM173797;C=C(C#N)C(=C)CCO;JTVYFQSDSUATFO-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173798;MM173798;C=C(C=O)C(=C)CCF;RNUPOUYPWHNDNT-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173799;MM173799;C=C(C#N)C(=C)CCF;HXYZCNZOAODWDW-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173800;MM173800;C=CC(=O)C(=C)CCC;BFNLJDAGPZTLTI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173801;MM173801;C=CC(=O)C(=C)CCF;LWJPCNZOPLOOQI-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173802;MM173802;C=C(CCC)C(=O)C#N;FCEPGSFVYCSQJR-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173803;MM173803;C=C(CCF)C(=O)C#N;NXMQJUCFWCLEJZ-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173804;MM173804;C=CC(=C)C(=O)CCC;MZLUPNQXSKHWFA-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173805;MM173805;C=CC(=C)C(=O)CCF;STGRRYCLOCXVLA-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173806;MM173806;C=C(C#N)C(=O)CCF;DLMLMNQUXWIRQF-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173807;MM173807;C=CC(=O)C(=O)CCO;XVXCDTPPGNWEST-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173808;MM173808;CCCC(=O)C(=O)C=O;WXTRRXXKCNKUIA-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173809;MM173809;O=CC(=O)C(=O)CCO;GBFAZHBQOBSKET-UHFFFAOYSA-N;130.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173810;MM173810;C=CC(=C)C(=C)CNC;VNGJVCCYIYQYCS-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173811;MM173811;C=CC(=O)C(=C)CNC;ZNNFZUAVWFQFMC-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173812;MM173812;C=C(CNC)C(=O)C=O;YQMRELQHGASLJS-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173813;MM173813;C=CC(=C)C(=C)COC;PROSVBMVKURISU-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173814;MM173814;C=CC(=C)C(=N)NCC;RWRMMOOCJZZQPH-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173815;MM173815;C=C(C=O)C(N)=NCC;LOGVTRGXVQMNHI-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173816;MM173816;Nc1c(N)c(F)n(N)c1O;HAMSEYLLTRJVBT-UHFFFAOYSA-N;146.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173817;MM173817;C=C(C#N)C(=O)NCC;QUSURPLBBBOXMI-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173818;MM173818;NN=c1nc(N)cnn1O;HUPRNQJLMRBQMG-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173819;MM173819;N=c1ncc(NO)nn1O;PWEPEJQTMYPJFZ-UHFFFAOYSA-N;143.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173820;MM173820;C=C(C#N)C(=O)NNC;VZSHYIWDHXRWPU-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173821;MM173821;C=CC(=O)C(=O)NNC;GFJKJQIADNJKIR-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173822;MM173822;C=C(C=O)C(N)=NOC;XXSKXPIYDOFIBJ-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173823;MM173823;CN=c1c(=O)n(O)on1C;CJTVLQXHSXXKNE-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173824;MM173824;C=CC(=C)C(=C)OCC;ZJFSAHDPAOHALM-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173825;MM173825;C=C(C=O)C(=C)OCC;HGLFSLIPVQUSPS-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173826;MM173826;C=C(C#N)C(=C)OCC;DBMSMDNTFWRURA-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173827;MM173827;C=CC(=O)C(=C)OCC;VYKNFFCBGNTDID-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173828;MM173828;C=C(OCC)C(=O)C#N;AFUKLRTTZJZMFB-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173829;MM173829;C=CC(=C)C(=O)OCC;VCIGZCZEWQKTQR-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173830;MM173830;C=C(C=O)C(=O)OCC;XGSNHRQXBIJMEG-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173831;MM173831;C=C(C#N)C(=O)OCC;FGBJXOREULPLGL-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173832;MM173832;C=CCC(=C)C(=C)C=C;IYZMLYDKYKIQTD-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173833;MM173833;C=CC(=C)C(=C)CC=O;MGXPCPQFLRGGQQ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173834;MM173834;C=CC(=C)C(=C)CC#N;AALFJTGNJFCTOP-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173835;MM173835;C=CCC(=C)C(=C)C=O;JBSPKUYYVBBMDM-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173836;MM173836;C=CCC(=C)C(=C)C#N;VEVPIPYJRJZLBP-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173837;MM173837;C=C(C=O)C(=C)CC=O;ZBISBXQDARJWKG-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173838;MM173838;C=C(C#N)C(=C)CC=O;MKEBWARIGWKJNS-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173839;MM173839;C=C(C#N)C(=C)CC#N;MVKJPBQLEJNAJG-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173840;MM173840;C=CCC(=C)C(=O)C=C;VTUMEXINOVRKJC-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173841;MM173841;C=CCC(=C)C(=O)C=O;ISXFLIALLGAPAN-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173842;MM173842;C=C(CC=O)C(=O)C=O;CGCJXFSTUXTNBD-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173843;MM173843;C=C(CC#N)C(=O)C#N;MZONNNIEBRTNKU-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173844;MM173844;C=CCC(=O)C(=C)C=C;ZRGJCXQLGISOKZ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173845;MM173845;C=CC(=C)C(=O)CC=O;DYKXVIRTPHCBJO-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173846;MM173846;C=CCC(=O)C(=C)C=O;IMYWIDXIAMHXOV-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173847;MM173847;C=CCC(=O)C(=O)C=O;LUEYWGZKYDOUOR-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173848;MM173848;NN=COCC(CO)=NO;KKDOIOLDEZQEIM-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173849;MM173849;N#CCC(=O)C(=O)C=O;NDNVCBCNFYUMNR-UHFFFAOYSA-N;125.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173850;MM173850;C=CC(=C)C(=C)NC=N;PDQGIGQXZFOBKG-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173851;MM173851;C=CC(=C)C(=C)NC=O;MXKJTZUYRUJGFU-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173852;MM173852;C=C(NC=O)C(=O)C=O;KGANHEJBVVXMMC-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173853;MM173853;C=CNC(=N)C(=C)C=C;FKDMLHMXQFYILC-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173854;MM173854;C=CNC(=N)C(=C)C#N;MWESDZJATFQTGK-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173855;MM173855;C=C(C=O)C(=N)NC=O;XTVJSQNFBGSKMR-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173856;MM173856;C=CNC(=N)C(=O)C=C;PJGDJRUVTFKNJH-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173857;MM173857;C=CNC(=O)C(=C)C=C;WZCJFSKZTNHWHD-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173858;MM173858;C=CNC(=O)C(=C)C#N;IIUVMIFBBSEWGK-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173859;MM173859;C#CC1=CC=C(C=NN)C1;OALQTXFOVJYWLB-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173860;MM173860;C=C(C#N)C(=O)NC=N;NHVCHGDZGXSAQB-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173861;MM173861;C=CNC(=O)C(=O)C=C;YLRPBOBTJZNYSW-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173862;MM173862;CN=c1ncc(N)nn1O;ZFXGGTLSEPDNKU-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173863;MM173863;Cc1cnc(=NN)n(O)n1;RZYBXSNNUOIBBL-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173864;MM173864;CN=c1c(N)cnnn1O;GIGJKKYYNAIMHY-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173865;MM173865;C=NNC(=O)C(=O)C=O;UCOSEITXCXHWDO-UHFFFAOYSA-N;128.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173866;MM173866;C=COC(=C)C(=C)C=C;JQZDLRAQJVCYED-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173867;MM173867;C=CC(=C)C(=C)OC=O;VJBWRUATMYZSHH-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173868;MM173868;C=COC(=C)C(=C)C=O;BZHLAAOGVZKZFN-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173869;MM173869;C=COC(=C)C(=C)C#N;ULWCOHKYTMKNOW-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173870;MM173870;C=C(C=O)C(=C)OC=O;SDOIGHJJCRQJTN-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173871;MM173871;C=C(C#N)C(=C)OC=O;GGDYCDRGHWZFLG-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173872;MM173872;C=COC(=C)C(=O)C=C;IUMZZLBCMHONCZ-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173873;MM173873;C=CC(=O)C(=C)OC=O;YIMHLEXDHNSTRM-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173874;MM173874;C=COC(=C)C(=O)C#N;WKYFMVPFGBZOOK-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173875;MM173875;C=COC(=O)C(=C)C=C;PLIRLLUVOLHMTA-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173876;MM173876;C=COC(=O)C(=C)C=O;QYRHPSAWTRVPOC-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173877;MM173877;C=COC(=O)C(=C)C#N;OENDOLXVRJWWSG-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173878;MM173878;C=CC(=C)C(=O)ON=C;WJXMSOLBMVXJQS-UHFFFAOYSA-N;125.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173879;MM173879;C=NOC(=O)C(=C)C#N;KPVRAQJPWXRHIA-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173880;MM173880;C#CCC(=C)C(=C)C=C;RNLWYHNUSLOOGE-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173881;MM173881;C#CCC(=C)C(=C)C=O;QGLLSCYSBNFYMV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173882;MM173882;C#CCC(=C)C(=C)C#N;BMCMDTCBIKJENG-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173883;MM173883;C#CCC(=C)C(=O)C=C;QVXYKFKFGNCNMX-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173884;MM173884;C#CCC(=C)C(=O)C=O;HIEDJRKMERHFKD-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173885;MM173885;C#CCC(=C)C(=O)C#N;GWIKMZITXJHAOU-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173886;MM173886;C#CCC(=O)C(=C)C=C;LFLFSCOMTONAAD-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173887;MM173887;C#CCC(=O)C(=C)C#N;WCTMUYCSUGCGQJ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173888;MM173888;C#CCC(=O)C(=O)C=C;YCKJWEVGEOUGJH-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173889;MM173889;C#CCC(=O)C(=O)C#N;VUGKNAHIZCBMMU-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173890;MM173890;C#CC(=C)C(=C)CCC;QUXGKGYVFSLVKX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173891;MM173891;C#CC(=C)C(=C)CCN;RCQSOVVGYQQBGC-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173892;MM173892;CC1=CC(=NN)CO1;HAPNRTAGKCCGDA-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173893;MM173893;C#CC(=C)C(=C)CCF;KWPKQZPOEAAVPR-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173894;MM173894;C#CC(=O)C(=C)CCF;IHEZREZCKCBIFK-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173895;MM173895;C#CC(=C)C(=O)CCF;QJXOBFUNKXCMIP-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173896;MM173896;C#CC(=C)C(=C)COC;ZWNCLZBOKNLOAK-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173897;MM173897;C#CC(=C)C(=O)COC;BENWISAXEKTOQG-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173898;MM173898;C#CC(=C)C(=O)NCC;DWQBWQKQMWYVTH-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173899;MM173899;C#CC(=C)C(=N)NNC;OUBWRBRIVFBJBW-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173900;MM173900;Nc1noc(=O)n1N;FNPNPGROJGCSRJ-UHFFFAOYSA-N;116.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173901;MM173901;C#CC(=O)C(=O)NNC;NRAJOJDTUYPIPF-UHFFFAOYSA-N;126.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173902;MM173902;C#CC(=C)C(=C)OCC;WWMSCYLKWAKPON-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173903;MM173903;C#CC(=O)C(=C)OCC;MUTAAGQVHCWSOU-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173904;MM173904;C#CC(=C)C(=O)OCC;CWAXNXGTPUQFII-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173905;MM173905;C#CC(=C)C(=C)CC=C;FWPSUUANDGUAMK-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173906;MM173906;C#CC(=C)C(=C)CC=O;JHFPYGZDVUYFND-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173907;MM173907;C#CC(=C)C(=C)CC#N;RFBJQCXHRIXHTO-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173908;MM173908;C#CC(=O)C(=C)CC=C;YFPDLQAQPKVRHC-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173909;MM173909;C#CC(=C)C(=O)CC=C;RAELEPMGFBWERF-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173910;MM173910;C#CC(=C)C(=O)NC=C;SCMAATFVYHFSBD-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173911;MM173911;C#CC(=C)C(=O)NC=O;DBOODOWIRKNLNN-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173912;MM173912;C#CC(=C)C(=C)OC=C;HYNJXIYBPQFNOA-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173913;MM173913;C#CC(=C)C(=C)OC=O;YGLRGAYEUMZFIF-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173914;MM173914;C#CC(=O)C(=C)OC=C;RNZULOAQQOZXRV-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173915;MM173915;C#CC(=C)C(=O)OC=C;UMPFOQXQYFYBOE-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173916;MM173916;C#CCC(=C)C(=C)C#C;IKPDMQQEYUWBRZ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173917;MM173917;C#CCC(=C)C(=O)C#C;SCRIWJCSKJCYNR-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173918;MM173918;C#CCC(=O)C(=C)C#C;JGHPREWIGPBEGX-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173919;MM173919;CC=CC(C)C(C)CC;HXSUSWIKNRAROU-UHFFFAOYSA-N;126.24;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173920;MM173920;CCC(C)C(C)C=CF;SDJSCMYSBJJMFB-UHFFFAOYSA-N;130.21;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173921;MM173921;CC=CC(C)C(C)CN;JMWHKZLWJCTMFM-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173922;MM173922;CC(C=CF)C(C)CN;UOLFRIPLQSFIJL-UHFFFAOYSA-N;131.19;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173923;MM173923;CN(N)C(=O)CC(N)=O;QTZKNCCOMZJMDL-UHFFFAOYSA-N;131.14;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173924;MM173924;CC(C=CF)C(C)CF;WKNCGPUWLMAUDW-UHFFFAOYSA-N;134.17;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173925;MM173925;CC=CC(C)C(N)CC;AICIAMDHNPPTJA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173926;MM173926;CCC(N)C(C)C=CF;KCIOSRPXESUHQL-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173927;MM173927;CC=CC(C)C(N)CF;MPJZXHVPSNIBLK-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173928;MM173928;CC(C=CF)C(N)CF;JUZCAWSGMNECKY-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173929;MM173929;CC(C(=O)NN)=C(N)N;WQBNDXLYRZLHHV-UHFFFAOYSA-N;130.15;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173930;MM173930;CC(C=CF)C(O)CN;FIYOHIBFLNNSAN-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173931;MM173931;CC=CC(C)C(O)CO;NVDVGYFZXOTLES-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173932;MM173932;CC=CC(C)C(F)CC;AIEQOHPJPMVBPB-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173933;MM173933;CCC(F)C(C)C=CF;AHSKGHRCVZCDPR-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173934;MM173934;CC=CC(C)C(F)CN;DSUCVNHENFYEOL-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173935;MM173935;CC=CC(C)C(F)CO;KIHMLXFEJRNKRN-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173936;MM173936;CC(C=CF)C(F)CF;ZAKNZWVWQWTTBJ-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173937;MM173937;CC=CC(N)C(C)CC;CMPOMRWWBIDDDL-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173938;MM173938;CCC(C)C(N)C=CF;GPZSAGWCVVCGOT-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173939;MM173939;CC(CF)C(N)C=CF;BOJHEACGYYLITN-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173940;MM173940;CC=CC(N)C(N)CC;VNDRRUUNUXYBPU-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173941;MM173941;CC=CC(N)C(N)CN;TZBQYIVSYYFLDE-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173942;MM173942;CC=CC(N)C(N)CO;TYUWWKLPZBSKEC-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173943;MM173943;NC(C=CF)C(N)CO;DUZPHTAPJSAANE-UHFFFAOYSA-N;134.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173944;MM173944;CC=CC(N)C(N)CF;BQICMWVVWDWPDA-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173945;MM173945;CC=CC(N)C(O)CC;JZSPAARUAQDKIG-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173946;MM173946;CC=CC(N)C(O)CN;JBDSYRPLQBNHHS-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173947;MM173947;CC=CC(N)C(O)CO;HTMFAQRNGDOUIG-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173948;MM173948;NC(C=CF)C(O)CO;LMKFQHJGDDMBPL-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173949;MM173949;CC=CC(N)C(O)CF;HOPMKHCATDCZPP-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173950;MM173950;CCC(F)C(N)C=CF;QIBKVDZFEGCUNJ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173951;MM173951;CC=CC(N)C(F)CN;LGWPJILKOBUYNQ-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173952;MM173952;C=NOCOC(=O)CO;ZJDPXRSQWZYWAD-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173953;MM173953;CC=CC(O)C(C)CN;DAYSEXVVVXKKPW-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173954;MM173954;CC=CC(O)C(C)CO;PIMHDOZTZVCKAW-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173955;MM173955;CC=CC(O)C(C)CF;ACODFTOZHCBCSQ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173956;MM173956;CC=CC(O)C(N)CC;YDSMLCQHBLDTGG-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173957;MM173957;CC=CC(O)C(N)CO;NEMDEAKTUXYLHL-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173958;MM173958;NC(CO)C(O)C=CF;OALNGCUDJWXJNK-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173959;MM173959;CC=CC(O)C(N)CF;RLYJNNMHZXKSAM-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173960;MM173960;CC=CC(O)C(O)CC;OSNFVSBBBNVOBW-UHFFFAOYSA-N;130.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173961;MM173961;CC=CC(O)C(O)CN;QZINISYZYILMOD-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173962;MM173962;CC=CC(O)C(O)CO;VRVSHOSUSHYQIQ-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173963;MM173963;OC(C=CF)C(O)CF;MBKSIIJDRFXZAV-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173964;MM173964;CC=CC(O)C(F)CC;RPLNIGNZNYGPST-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173965;MM173965;OCC(F)C(O)C=CF;XXUAOCPCIOWKLN-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173966;MM173966;CC=CC(F)C(C)CC;PYVOETGDUDJDDK-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173967;MM173967;CC(CN)C(F)C=CF;ZKTSQUGQXHBAEO-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173968;MM173968;CC=CC(F)C(C)CO;QXVOIJCTQYKAHO-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173969;MM173969;CC=CC(F)C(N)CC;NPQANUPGBCDZPE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173970;MM173970;CC=CC(F)C(N)CN;QMVAELOJVZHDTL-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173971;MM173971;NCC(N)C(F)C=CF;HQIRROOWHHIHDN-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173972;MM173972;CCC(O)C(F)C=CF;GGXCAAZTAMNODR-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173973;MM173973;CC=CC(F)C(O)CO;FMICYEGUVAFFOS-UHFFFAOYSA-N;134.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173974;MM173974;OCC(O)C(F)C=CF;NWLRFFWJZYPRPS-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173975;MM173975;CCC(F)C(F)C=CF;MMCXRUBSVGAGNG-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173976;MM173976;CC=CC(F)C(F)CN;WBXOCIMTEJUWPC-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173977;MM173977;OCC(F)C(F)C=CF;ATAIEWFUKXHGGA-UHFFFAOYSA-N;140.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173978;MM173978;CCC(C)C(C)C=NN;TZUMAWXOOGTLGA-UHFFFAOYSA-N;128.22;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173979;MM173979;CCC(C)C(C)C=NO;SRENAVCEPNVERB-UHFFFAOYSA-N;129.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173980;MM173980;CNNC(=O)C(C)=CN;WSSOWKYVVKVEHY-UHFFFAOYSA-N;129.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173981;MM173981;CC(C=NO)C(C)CO;IESPFHVPQATZPN-UHFFFAOYSA-N;131.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173982;MM173982;CC(C=NN)C(C)CF;NGKQLGLZKDPRBP-UHFFFAOYSA-N;132.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173983;MM173983;CC(C=NO)C(C)CF;XSRUCLDKVWOZFH-UHFFFAOYSA-N;133.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173984;MM173984;CC(C=NO)C(N)CO;NNCSWFFDGHHJOA-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173985;MM173985;CC(C=NO)C(N)CF;JCWWZGIZMDPYCH-UHFFFAOYSA-N;134.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173986;MM173986;C=NOC1CC1(O)CO;OEFIXSZCCUBOMJ-UHFFFAOYSA-N;131.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173987;MM173987;CCC(O)C(C)C=NO;CHOBAXRQHKLNGX-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173988;MM173988;CC(C=NO)C(O)CN;WWKUNEMSWWSYLK-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173989;MM173989;CC(C=NO)C(O)CO;WTUCCKLOZQFTPY-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173990;MM173990;CCC(F)C(C)C=NN;ZKXOSRDLGOKCDF-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173991;MM173991;CC(C=NO)C(F)CN;VCEVQHAADYKZHE-UHFFFAOYSA-N;134.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173992;MM173992;CC(C=NN)C(F)CF;JDRNUEHQZVDYFG-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173993;MM173993;CC(C=NO)C(F)CF;KLRBUUAYNQUXTJ-UHFFFAOYSA-N;137.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173994;MM173994;CCC(N)C(N)C=NO;CIELPCIWOCXTSZ-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173995;MM173995;CC(CN)C(O)C=NO;ULAKAGBCSFXQQF-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173996;MM173996;N=c1n(O)oc(=O)n1N;YMZXXNOKZBRWBO-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173997;MM173997;NN=C1CC(=O)N(N)C1;WMGJVCYJXMLUOD-UHFFFAOYSA-N;128.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173998;MM173998;N=c1cc(F)nnn1O;RATNOPBQGVGYRI-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM173999;MM173999;CCC(C)C(F)C=NN;QJDFMJQNJCZPIM-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174000;MM174000;CCN=C1COC(=N)N1;WJXUPZIQPVTXJI-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174001;MM174001;CN=C1CNC(=O)N1N;GGPFKKLVXGERBL-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174002;MM174002;CC=CC(C)C(C)NC;MWMHSENVCPFDKO-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174003;MM174003;CC=CC(F)C(C)NC;ABWZRHYTXLXOLB-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174004;MM174004;CNC(C)C(N)C=NO;BJPYGZZNHWZFDK-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174005;MM174005;CC=CC(N)C(C)OC;NWPKXHVPLVJLLQ-UHFFFAOYSA-N;129.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174006;MM174006;CC=CC(F)C(C)OC;NLDJIZPVOLLYFY-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174007;MM174007;COC(C)C(C)C=NO;XIBRFHUCWOTNQA-UHFFFAOYSA-N;131.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174008;MM174008;CNc1cc(N=O)c[nH]1;WARWKTMLHFQSHG-UHFFFAOYSA-N;125.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174009;MM174009;CC=CC(C)N(C)CC;UXCSTZFLSGQSPB-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174010;MM174010;CCN(C)C(C)C=CF;PZCXBPVAFROISW-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174011;MM174011;CCC(C)N(C)C=NC;DWXUWDBUTMSMDX-UHFFFAOYSA-N;128.22;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174012;MM174012;CCC(C)N(C)C=NN;SVPARKZPYPZRGS-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174013;MM174013;CN=CN(C)C(C)CN;MYWMDALPKXVRKQ-UHFFFAOYSA-N;129.21;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174014;MM174014;CN=CN(C)C(C)CF;YLQFSZZKGKVLON-UHFFFAOYSA-N;132.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174015;MM174015;NN=c1nccnn1O;BVZJWWYNQVLGCI-UHFFFAOYSA-N;127.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174016;MM174016;CCC(C)N(N)C=NC;JSTZHGCHUAEFAN-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174017;MM174017;CCC(C)(O)CC(=O)NN;JXHVWJPMOOFGPP-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174018;MM174018;CC(CO)N(O)C=NO;BKNVGRHIQNPMIV-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174019;MM174019;CC=NN(C)C(C)CC;YGRFRAJQALCNNO-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174020;MM174020;CC=NN(C)C(C)CN;HTFAVSOUAVUNQF-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174021;MM174021;CC=NN(C)C(C)CF;JIAMFOODDPGEOX-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174022;MM174022;C=CC(C)C(C)C=CC;ZJYVYCOTLUITSB-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174023;MM174023;CC=CC(C)C(C)C=O;NESQBFJZGCTAFH-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174024;MM174024;CC=CC(C)C(C)C#N;UIAAZGIFQKTCAL-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174025;MM174025;CC(C=O)C(C)C=CF;DKHRSHSAHYHAEI-UHFFFAOYSA-N;130.16;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174026;MM174026;CC(C#N)C(C)C=CF;CWWUIRSBPUNCSC-UHFFFAOYSA-N;127.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174027;MM174027;C=CC(N)C(C)C=CC;GTZCFANSIYEOGQ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174028;MM174028;C=CC=CC(=O)NN(C)C;LKLUHHJCLWIWHK-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174029;MM174029;CC=CC(C)C(O)C#N;YQSCECBXFAUOEE-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174030;MM174030;CC(C=CF)C(O)C#N;YRUCXVRDQJGALO-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174031;MM174031;C=CC(F)C(C)C=CC;MMHLWKBCZYUCMV-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174032;MM174032;C=CC(F)C(C)C=CF;LRTAAJBRAWTLHP-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174033;MM174033;CC=CC(C)C(F)C#N;YZYAETFKTBNMJH-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174034;MM174034;CC(C=CF)C(F)C=O;JCONJFPJBDFERE-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174035;MM174035;CC(C=CF)C(F)C#N;FHFXTHSRVKGUPR-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174036;MM174036;C=CC(C)C(N)C=CC;YRORKBUJOMJVPM-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174037;MM174037;C=CC(C)C(N)C=CF;SZVOQRNWRJZOSE-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174038;MM174038;C=CC(N)C(N)C=CF;FQXRCDILSKIHPP-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174039;MM174039;C=CC(O)C(N)C=CC;GAIZRRWRLNBESG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174040;MM174040;C=CC(F)C(N)C=CC;WXDYVGVTLHNGHY-UHFFFAOYSA-N;129.18;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174041;MM174041;C#CCC(O)(C=C)C=NN;LOHHAKWZNVTWLH-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174042;MM174042;CC=CC(O)C(C)C#N;XEUXMTJMYSUCJS-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174043;MM174043;C=CC(O)C(O)C=CC;ADXMFHMYYFZEGM-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174044;MM174044;CC=CC(O)C(O)C=O;GROUBAXMOKOZEP-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174045;MM174045;N#CC(O)C(O)C=CF;KDWPUBHIMUJKJI-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174046;MM174046;C=CC(F)C(O)C=CC;WZHSGIDKKALOGZ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174047;MM174047;C=CC(F)C(O)C=CF;PQSRLVNLCZOICH-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174048;MM174048;O=CC(F)C(O)C=CF;SJVJDQKJTLXTCU-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174049;MM174049;N#CC(F)C(O)C=CF;YBSHIGJMGMTQGI-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174050;MM174050;CC=CC(F)C(C)C#N;NRLYJCVOSKHBOH-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174051;MM174051;CC(C=O)C(F)C=CF;JPZHAXXULMSVQC-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174052;MM174052;C=CC(O)C(F)C=CC;RRASMYINGLYXSB-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174053;MM174053;N#CC(O)C(F)C=CF;JLQRYNKPGCSRKX-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174054;MM174054;C=CC(F)C(F)C=CF;LSGBRZPLNKBYEL-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174055;MM174055;CC=CC(F)C(F)C=O;CSEAHODDTYKWFR-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174056;MM174056;CC=CC(F)C(F)C#N;QWLAMFRXDOKKBM-UHFFFAOYSA-N;131.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174057;MM174057;CC(C=O)C(C)C=NO;PDNMERYHQWYNMP-UHFFFAOYSA-N;129.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174058;MM174058;C=CC(N)C(C)C=NO;GTKFGSGCVKLIMT-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174059;MM174059;C=NOC(C)OC(=O)CO;JZMLYNUVBPWLPD-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174060;MM174060;C=CC(O)C(C)C=NO;ODBIFXCUQBSULV-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174061;MM174061;CC(C=NO)C(O)C=O;YOVDMXSRSORKHL-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174062;MM174062;C=CC(F)C(C)C=NO;BKEAVIIJUIDZFF-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174063;MM174063;CC(C=NO)C(F)C=O;SZDROBRSEDHEAA-UHFFFAOYSA-N;133.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174064;MM174064;CC(C=NO)C(F)C#N;MFSQBWHBEVNJGC-UHFFFAOYSA-N;130.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174065;MM174065;C=CC(C)C(N)C=NO;JSYMOLDLLLFSFP-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174066;MM174066;C#CCC(C)CC(=O)NN;XRCQXUDMJJKLDI-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174067;MM174067;C=c1oc(=CF)[nH]c1=NO;HMXUVHVHFKKDQJ-UHFFFAOYSA-N;144.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174068;MM174068;CC=CC(C)N(C)C=O;VCDAEUMSSCCDSS-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174069;MM174069;CC=CC(C)N(N)C=O;AVVRNBUCAXSUEU-UHFFFAOYSA-N;128.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174070;MM174070;CC(C=NO)N(C)C=O;KXXFIBBORAOMJR-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174071;MM174071;CC(C=NN)N(N)C=N;CIQLHADNSXQTSM-UHFFFAOYSA-N;129.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174072;MM174072;CC(C=NO)N(N)C=N;QYEKNRCSLOZDQL-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174073;MM174073;CC(C=NN)N(N)C=O;GGAJGUQSYLYEBD-UHFFFAOYSA-N;130.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174074;MM174074;C=NN(C)C(C)C=CC;JZWXSMQNELURNQ-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174075;MM174075;C=NN(C)C(C)C=CF;LCMUYWHWMSWVCT-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174076;MM174076;C=NN(C)C(C)C=NO;LGEIDFTXSWOPGS-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174077;MM174077;C=CC(C)N(C)C=NC;CMFSSZMSAGURCY-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174078;MM174078;CCCC(O)CNNC=O;BNSCFWGIUPZBGC-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174079;MM174079;CN=CN(C)C(C)C=O;DPVKZBRCGSMXFG-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174080;MM174080;CN=CN(C)C(C)C#N;PBEBAJMJBZAYSH-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174081;MM174081;C=CC(C)N(N)C=NC;YVJXMEFLTVGJFT-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174082;MM174082;CC(C)C(O)C(O)C=NN;XDJRNOZJZOCSMX-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174083;MM174083;CC(C=O)N(O)C=NO;JSYVULBNNUOYON-UHFFFAOYSA-N;132.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174084;MM174084;C=CC(C)N(C)N=CC;MGYWZMOHAZMAEQ-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174085;MM174085;CN=CN(C)N(C)C=O;DADIYZIMHRPTPE-UHFFFAOYSA-N;129.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174086;MM174086;C#CC(C)C(C)C=CC;UEJYVDRYKHOJPT-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174087;MM174087;C#CC(C)C(C)C=CF;PIKBZBKBXWDFLX-UHFFFAOYSA-N;126.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174088;MM174088;C#CC(N)C(C)C=CC;AWEUXADBEFBHOW-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174089;MM174089;C#CC(O)C(C)C=CC;JVURYBCXQGBIOQ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174090;MM174090;C#CC(F)C(C)C=CF;YPSDFHWCRPMEKH-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174091;MM174091;C#CC(C)C(N)C=CC;ZOERMAZDDSZDTL-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174092;MM174092;C#CC(C)C(N)C=CF;LJQOBRRERUFCMO-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174093;MM174093;C#CC(O)C(N)C=CF;RYBKSXOLDSELLG-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174094;MM174094;C#CC(C)CCC(=O)NN;QGAGTJRQMRCEGX-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174095;MM174095;C#CC(N)C(O)C=CF;DNQOVNGTMLVVTB-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174096;MM174096;C#CC(O)C(O)C=CC;YKPZMOSYWKJTSS-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174097;MM174097;C#CC(O)C(O)C=CF;PLWJPJMSPBFCNE-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174098;MM174098;C#CC(O)C(F)C=CC;IVEVDIVJXBFIFM-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174099;MM174099;C#CC(F)C(F)C=CC;YSKMPOKESGDLNP-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174100;MM174100;C#CC(C)C(C)C=NN;CDDFCOMOBVUUQG-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174101;MM174101;N#CC(=CN)CC(=O)CO;NGJYKZKBBJCECS-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174102;MM174102;C#CC(F)C(C)C=NO;ABGDRXYJCACPHF-UHFFFAOYSA-N;129.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174103;MM174103;CC(OC=NN)C(O)CF;LVGYWBGRHHBISG-UHFFFAOYSA-N;150.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174104;MM174104;C#CC(C)N(C)C=NC;FQVHSAWJGSDKOC-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174105;MM174105;C#CC(C)N(C)N=CC;TZTXIDXQHYUMSQ-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174106;MM174106;C=C(CC)C(C)C=CC;VCXZGRKICRLJOQ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174107;MM174107;C=C(CC)C(C)C=CF;WZLYUMXKROOTMP-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174108;MM174108;C=C(CN)C(C)C=CC;RRSNHTIGQNCCQO-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174109;MM174109;C=C(CN)C(C)C=CF;WSBKOUFNIGSDIG-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174110;MM174110;C=NNCC(O)C(F)=CC;DISZRDGBEUDWBP-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174111;MM174111;C=C(CF)C(C)C=CC;FVYNYRRGNJIJRX-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174112;MM174112;C=C(CF)C(C)C=CF;YFNTWQOUHPYHCN-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174113;MM174113;CC=CC(C)C(=O)CC;VIPYBBOFDVZRGB-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174114;MM174114;CCC(=O)C(C)C=CF;YLQRXKIAIVSNLF-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174115;MM174115;CC=CC(C)C(=O)CO;PTRDVCIRVCCQBO-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174116;MM174116;CC=CC(C)C(=O)CF;YRCKJAAXBURGQS-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174117;MM174117;CC(C=CF)C(=O)CF;XBXSGQCKMUIFJQ-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174118;MM174118;C=C(CC)C(N)C=CC;ULCQWULCQKTCDJ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174119;MM174119;C=C(CC)C(N)C=CF;LLHOSDROSQXGAB-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174120;MM174120;C=C(CN)C(N)C=CF;AFXLILGLLNNNFV-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174121;MM174121;C=C(CO)C(N)C=CF;WAGVSMHDDPIRIM-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174122;MM174122;NN=COCOC(=O)CO;FOKTUADFFJNPJH-UHFFFAOYSA-N;148.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174123;MM174123;C=C(CO)C(O)C=CF;IOPRAJOISNXKKX-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174124;MM174124;C=C(CF)C(O)C=CC;TUVZVPJSLRXTOC-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174125;MM174125;O=C(CF)C(O)C=CF;UUMZQFGEIGYKLB-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174126;MM174126;C=C(CC)C(F)C=CF;XMBMEBHAHQEKDU-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174127;MM174127;C=C(CN)C(F)C=CF;TWRHBASTKYUCHP-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174128;MM174128;C=C(CO)C(F)C=CC;SJEYSLTYGGNOTQ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174129;MM174129;CCC(=O)C(F)C=CF;YMVZTKKQNBJSNQ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174130;MM174130;CC=CC(F)C(=O)CO;HTUSNBWUNQPBCU-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174131;MM174131;O=C(CO)C(F)C=CF;YPUGJIYSNIPUEY-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174132;MM174132;C=C(CC)C(C)C=NN;AXUBIIHUYKOEFP-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174133;MM174133;CC=NOCOC(=O)CO;ROFJJKIGZAPNTR-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174134;MM174134;C=C(CO)C(C)C=NO;KGNOTRHAJZWXLJ-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174135;MM174135;C=C(CF)C(C)C=NN;XJZYVZJGAGHSPE-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174136;MM174136;C=C(CF)C(C)C=NO;ALBGMCWLDFDFKR-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174137;MM174137;CCC(=O)C(C)C=NO;DCZWTCBDIJLKLE-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174138;MM174138;CC(C=NO)C(=O)CO;BULGQZWQBXHHAX-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174139;MM174139;C=NOC(OC)C(=O)CF;KIYLJRSXRHRDQM-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174140;MM174140;Cc1nnc(=N)n(O)c1F;HPKSIVSFZMPQHJ-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174141;MM174141;Cn1on(O)c(=O)c1=N;RXOBWUVHQHRGBF-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174142;MM174142;CC=CC(C)C(=N)NC;JDFKLWYFHPGWBO-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174143;MM174143;CNC(=N)C(C)C=CF;WNPITNHSTDIZGY-UHFFFAOYSA-N;130.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174144;MM174144;CC=CC(C)C(=N)NN;IAFYZPMTGXJEOK-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174145;MM174145;CC(C=CF)C(=N)NN;NBDMMQHGOQXQBB-UHFFFAOYSA-N;131.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174146;MM174146;CC(C=CF)C(=N)NO;IVLPRTDNHORPLX-UHFFFAOYSA-N;132.14;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174147;MM174147;CN=c1cc(F)nnn1O;ZSBVAAITVHTBKW-UHFFFAOYSA-N;144.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174148;MM174148;CC=CC(O)C(=N)NC;WMAOBTFGOYNPDK-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174149;MM174149;CNC(=N)C(O)C=CF;LXYUGMLJGRWHFY-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174150;MM174150;CC=CC(O)C(=N)NN;KVQZNMGGMBFLRZ-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174151;MM174151;N=C(NN)C(O)C=CF;NVLHOKTUURVGLN-UHFFFAOYSA-N;133.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174152;MM174152;NNC(=O)C(O)C=CF;ASCCZMXBSSNENV-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174153;MM174153;O=C(NO)C(O)C=CF;ASGPLJSBIVJGOM-UHFFFAOYSA-N;135.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174154;MM174154;CC=CC(F)C(=O)NC;HMYHJCVTIPOESF-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174155;MM174155;CC=CC(F)C(=O)NN;PVEWDNBQEMGBEP-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174156;MM174156;CC(C=NO)C(=N)NN;LFYOPGDUEBBLFO-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174157;MM174157;CNC(=N)C(O)C=NN;VEVJNCDWIMCVMS-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174158;MM174158;N=C(NN)C(O)C=NN;GFFAEDHHFUMFIX-UHFFFAOYSA-N;131.14;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174159;MM174159;Cc1cnn(O)c(=NN)n1;QGZOTCIVLZSNHL-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174160;MM174160;COC(CO)C(O)C=NN;AVGFCNXNWNKECX-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174161;MM174161;NN=CC(O)C(=O)NO;BAZUCXNJAXSZRI-UHFFFAOYSA-N;133.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174162;MM174162;Cn1nc(N)c(F)c1O;XUNDEOLYOGLZOL-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174163;MM174163;N#Cc1cnc(=N)n(O)n1;GICUTXXFJUXJLG-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174164;MM174164;C#Cc1cnc(=N)n(O)n1;VLHVZHBHVUHHSP-UHFFFAOYSA-N;136.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174165;MM174165;N=Cn1[nH]c(=N)n(N)c1=O;HNNJKFLUBXCDOL-UHFFFAOYSA-N;142.12;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174166;MM174166;C=C(OC)C(C)C=CC;XLJKIOJEVGUQLN-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174167;MM174167;CC=CC(C)C(=O)OC;GOQVKGQOIKOQHV-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174168;MM174168;COC(=O)C(C)C=CF;UHJKMTLZYHGRPP-UHFFFAOYSA-N;132.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174169;MM174169;C=C(OC)C(O)C=CC;SQKYAEWAZSTNRB-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174170;MM174170;COC(=O)C(O)C=CF;AWXZFTZBZHIJEQ-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174171;MM174171;C=C(OC)C(F)C=CC;YDEZTNJTMVWZPU-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174172;MM174172;COC(=O)C(F)C=CF;KRPUGDJZTIETRX-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174173;MM174173;CN=c1n(O)oc(=O)n1N;CUHNQYUHIWPMNA-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174174;MM174174;Nc1nn(N)c(N)c1O;ACJKJSDJHRETNQ-UHFFFAOYSA-N;129.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174175;MM174175;C=C(OC)C(F)C=NN;KDZGSFUXKAYYTB-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174176;MM174176;N=c1n(N)cnc(=O)n1O;FUINFFBIWHGLDU-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174177;MM174177;CC=CN(C)C(=N)CC;AMWACYSITGKFRY-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174178;MM174178;CN(C=CF)C(=N)CO;NLMDVKDUYUYVNQ-UHFFFAOYSA-N;132.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174179;MM174179;CC=CN(C)C(=O)CC;JZKHFMKWADPJEH-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174180;MM174180;CN(C=CF)C(=O)CO;WZVBUIGBYXDWGP-UHFFFAOYSA-N;133.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174181;MM174181;CC=CN(C)C(=O)CF;NTHACMKPEUURLS-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174182;MM174182;CN(C=CF)C(=O)CF;RHECNPKTSIPPLZ-UHFFFAOYSA-N;135.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174183;MM174183;CC=CN(N)C(=N)CC;ZASGSSPNSSWMER-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174184;MM174184;CC=CN(N)C(=O)CC;LQIYUCAUDZAWBC-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174185;MM174185;CCC1=CCC(=NN)C=C1;ZITLUFUUAMKGJY-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174186;MM174186;COc1c[nH]cn1;YXSUIVZFLAJASX-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174187;MM174187;CC=CN(O)C(=O)CO;GRFNXAHGYONMOL-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174188;MM174188;C=C(CC)N(C)C=NC;ZIZQXANRONWKBL-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174189;MM174189;O=CCc1cn[nH]c1;LBDILIFKEONERK-UHFFFAOYSA-N;110.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174190;MM174190;C=C(CN)N(C)C=NC;WQLSNAAOBXMXCL-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174191;MM174191;C=C(CO)N(C)C=NC;UVOTZSYAEQCSNH-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174192;MM174192;C=C(CF)N(C)C=NC;SZERTLYLAQAQFL-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174193;MM174193;CCC(=N)N(C)C=NN;RCFUGCBTAUVBRN-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174194;MM174194;CN(C=NO)C(=N)CN;JMVHHCPRUOKTDQ-UHFFFAOYSA-N;130.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174195;MM174195;CN=CN(C)C(=N)CO;HCSSFFGXVJDGDN-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174196;MM174196;O=CNNCC1CC1;PBTGYEOGHQAYFY-UHFFFAOYSA-N;114.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174197;MM174197;NN=CC(O)C1CO1;CVXCKNHCYBZAGJ-UHFFFAOYSA-N;116.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174198;MM174198;CCCN(C)NC(C)=O;BLLQEVZWKRHNIY-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174199;MM174199;CN(C=NN)C(=O)CO;VNLUCXUVQXQXRT-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174200;MM174200;CN(C=NO)C(=O)CO;WNIXXZFQGMCUEM-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174201;MM174201;COC(=NC(N)=O)NN;KESYDCIFMIIAGG-UHFFFAOYSA-N;132.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174202;MM174202;CN(C=NO)C(=O)CF;YJAOGGLBZBMGLA-UHFFFAOYSA-N;134.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174203;MM174203;C=CCNNC(=O)CC;KKIACESGDLKJCA-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174204;MM174204;NN=CCOC(=O)CO;AHYQWIISTVERKV-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174205;MM174205;C=C(CF)N(N)C=NC;UWXYLTUKHDZDAG-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174206;MM174206;C=CC(C)N(C)NC=O;DGLNMRZRABNSDX-UHFFFAOYSA-N;128.18;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174207;MM174207;C=CC(C)C(=O)NNC;HLXAHDSTTHOZLI-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174208;MM174208;C=CCN(CC)NC=O;LLRGNXYAYHGNRB-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174209;MM174209;Cc1cc(=N)n(O)nn1;DVMUHXQOQAGXGN-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174210;MM174210;NN(C=NO)C(=O)CO;RFRDOHLHQXENTJ-UHFFFAOYSA-N;133.11;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174211;MM174211;N=c1cc(N)nnn1O;AGLKBWKMLIKZQI-UHFFFAOYSA-N;127.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174212;MM174212;C=C(CC)N(O)C=NO;GEZMWUBBGVVFDW-UHFFFAOYSA-N;130.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174213;MM174213;N=c1nc(F)cnn1O;AXNKBEKTMYVREF-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174214;MM174214;N=c1nncc(F)n1O;OWQWMECAKNZLGL-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174215;MM174215;NN=C(CO)C(O)CO;OUGPQYUYHNZBPJ-UHFFFAOYSA-N;134.14;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174216;MM174216;N=C(CO)N(O)C=NO;UQKVFCXGWOHYPQ-UHFFFAOYSA-N;133.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174217;MM174217;CN=c1ccnnn1O;DCZDKDAIXKZENO-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174218;MM174218;N=C(CF)N(O)C=NO;IQQZVFRJXIMNRH-UHFFFAOYSA-N;135.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174219;MM174219;CN(C=CF)C(=N)NN;HWZGHMKZQKKHNW-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174220;MM174220;CN(C=CF)C(=N)NO;ZSKXMOKGVFIYTD-UHFFFAOYSA-N;133.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174221;MM174221;CC=CN(C)C(=O)NC;UWUPDVQRBXEAJZ-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174222;MM174222;C=NN(C)CC(O)C(=C)F;UNESYNSWQZWCGV-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174223;MM174223;CC=CN(N)C(=N)NN;RKAQDDMUJZZVJV-UHFFFAOYSA-N;129.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174224;MM174224;N=C(NN)N(N)C=CF;WMAUXDNHWHJUFK-UHFFFAOYSA-N;133.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174225;MM174225;N=C(NO)N(N)C=CF;UMSWSFJGUMMWTE-UHFFFAOYSA-N;134.11;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174226;MM174226;CC(O)C(=O)N=CN(C)N;ZKDWXODGUZJLJU-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174227;MM174227;NNC(=O)N(N)C=CF;MYPSFZIQVDZNLM-UHFFFAOYSA-N;134.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174228;MM174228;CC=CN(N)C(=O)NO;FOQXQQBQDMKKHC-UHFFFAOYSA-N;131.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174229;MM174229;NN(C=CF)C(=O)NO;LTXSCQQKGWPLAC-UHFFFAOYSA-N;135.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174230;MM174230;CC=CN(O)C(=N)NN;ROEQDKIRHHMFFT-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174231;MM174231;N=C(NN)N(O)C=CF;YGLUXIJIRLNNKI-UHFFFAOYSA-N;134.11;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174232;MM174232;NNC(=O)N(O)C=CF;CFLBNLUJHAUDIQ-UHFFFAOYSA-N;135.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174233;MM174233;CNC(=N)N(C)C=NN;FPOHCSQFJLPHSQ-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174234;MM174234;CNC(=N)N(C)C=NO;VOAYFFLMWNIFBY-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174235;MM174235;CN=CN(C)C(=N)NO;BBZCHBSSJCQWRG-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174236;MM174236;CCOC(C)CC(=O)NN;VCHAHLJPOPNJCI-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174237;MM174237;CN(C=NO)C(=O)NN;SQUMVAOYVIXEAU-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174238;MM174238;CN(C=NN)C(=O)NO;ARSGMNCLJDFKFI-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174239;MM174239;CN(C=NO)C(=O)NO;YMDDYAWQZYZEKN-UHFFFAOYSA-N;133.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174240;MM174240;CN=CN(N)C(=N)NC;URSDVUHTEOVQSF-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174241;MM174241;CN=CN(N)C(=N)NN;NFZHFIPPODPSQE-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174242;MM174242;N=C(NN)N(N)C=NN;PNYKJUYULDQKLM-UHFFFAOYSA-N;131.14;-2.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174243;MM174243;N=C(NN)N(N)C=NO;QBJPPVKNKJJJGR-UHFFFAOYSA-N;132.13;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174244;MM174244;CN=CN(N)C(=N)NO;AXUPGDNKBYYRFN-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174245;MM174245;N=C(NO)N(N)C=NN;OQZBGSCHKIVIOZ-UHFFFAOYSA-N;132.13;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174246;MM174246;C=CC(=C)CN(C)NC=O;ZVLHBWCFMNNBAX-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174247;MM174247;CC(C=NN)OC(=O)CO;OXUSMSNFPVJDEE-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174248;MM174248;CNC(=O)N(N)C=NO;YERZSAOBVCDJOA-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174249;MM174249;CCC(C)N(C)NC(C)=O;ULJZIUXKFZGLMI-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174250;MM174250;CCC(C)C(=O)NN(C)C;ZEOJTLUKGQKZEY-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174251;MM174251;NNC(=O)N(N)C=NO;SCIPBFKQYMEILA-UHFFFAOYSA-N;133.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174252;MM174252;CN=CN(N)C(=O)NO;OSWHUDFDFBOCNO-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174253;MM174253;NN=CN(N)C(=O)NO;KIHWRCHAUZGSIJ-UHFFFAOYSA-N;133.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174254;MM174254;NN(C=NO)C(=O)NO;UACSPARNBVIMFX-UHFFFAOYSA-N;134.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174255;MM174255;CN=CN(O)C(=N)NC;HDHMECHALJVLBU-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174256;MM174256;CN=CN(O)C(=N)NN;GNAHHBUIYKPKCW-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174257;MM174257;N=C(NN)N(O)C=NN;STSDCGBTQZHHSU-UHFFFAOYSA-N;132.13;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174258;MM174258;CN=CN(O)C(=O)NC;ZHEKYJBEQOHZTL-UHFFFAOYSA-N;131.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174259;MM174259;CN=CN(O)C(=O)NN;WGJKYTLYDPDRNT-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174260;MM174260;COC(=O)N(C)C=CF;KYMUWPIGTOPDSL-UHFFFAOYSA-N;133.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174261;MM174261;CCCN(CC)NC(C)=O;CFPQENNAKALXDD-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174262;MM174262;CC(C)OCCNNC=O;YDPBZYRJRAAZDD-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174263;MM174263;CCOC(C)CNNC=O;KLVGMELCIQMNGP-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174264;MM174264;COC(=O)N(C)C=NO;ONIZACHKUQKXMC-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174265;MM174265;C=NOC(C(N)=O)C(N)=O;RQQDAQHUHKVWSI-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174266;MM174266;Cc1nn(O)c(=N)nc1F;ZWXSRGQKNVUWQY-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174267;MM174267;C=C(OC=NN)C(O)CO;RNTQOSVMLDNGPN-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174268;MM174268;COC(=O)N(N)C=NO;UCOYDDRENCUDHZ-UHFFFAOYSA-N;133.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174269;MM174269;NN=CCCOC(=O)CO;URBTYMCUNCAMFS-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174270;MM174270;CNN=C(CO)C(O)CO;BZCADDJNWVSREQ-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174271;MM174271;COC(=N)N(O)C=NO;FCUYFXWTSNYYMX-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174272;MM174272;N=c1n(O)c(N)c(F)n1O;KSBXGCULSAVLEA-UHFFFAOYSA-N;148.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174273;MM174273;CC=NN(C)C(=N)CF;QXPZIIFUAKAZQM-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174274;MM174274;CC=NN(C)C(=O)CC;SWUIJUISNAVWOL-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174275;MM174275;N=c1ncc(F)c(F)n1O;GUDHKOMTKOVVJM-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174276;MM174276;CC=NN(C)C(=O)NO;WICGXILMRIXRFV-UHFFFAOYSA-N;131.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174277;MM174277;C=CC(=C)C(C)C=CC;QALLNIPWLQZOKK-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174278;MM174278;C=CC(=C)C(C)C=CF;MITNALINHRQLPE-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174279;MM174279;C=C(C=O)C(C)C=CC;GDDVQZQFWVXRNM-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174280;MM174280;C=C(C#N)C(C)C=CC;YHAYWRBORDFCNY-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174281;MM174281;C=C(C=O)C(C)C=CF;XCHHMMQAGSLFGN-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174282;MM174282;C=CC(=O)C(C)C=CC;TYEQGFWNSGILPF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174283;MM174283;C=CC(=O)C(C)C=CF;ZHBIUIYQQSBJPF-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174284;MM174284;CC=CC(C)C(=O)C#N;YBQXCIAHFWUBCO-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174285;MM174285;C=CC(=C)C(N)C=CC;RLUGAWGRGNUOAZ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174286;MM174286;C=CC(=C)C(N)C=CF;WSEGJSJUAMUCKS-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174287;MM174287;CN=c1cc(C)nnn1O;BAKVYBCPDLFPIK-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174288;MM174288;C=C(C#N)C(O)C=CC;CNDVTFOMPKIYHA-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174289;MM174289;C=C(C#N)C(F)C=CC;DEKCTHDDRPEHQT-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174290;MM174290;C=C(C=O)C(F)C=CF;ZSODDNPCRGPWJP-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174291;MM174291;C=C(C#N)C(F)C=CF;UEVQZJJMBDGXKZ-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174292;MM174292;C=CC(=O)C(F)C=CC;ILTOIZZBHQWGHT-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174293;MM174293;C=CC(=O)C(F)C=CF;GVOKRUQFHKOHHP-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174294;MM174294;O=CC(=O)C(F)C=CF;WORHYXBKMVXDNA-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174295;MM174295;N#CC(=O)C(F)C=CF;MYWTWPDWPZMFOC-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174296;MM174296;C=CC(=C)C(C)C=NO;MRGZFCXAEZBRBR-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174297;MM174297;C=C(C=O)C(C)C=NO;UJNDRYCUVKTASP-UHFFFAOYSA-N;127.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174298;MM174298;C=C(C#N)C(C)C=NO;IGGCCBWBOGMPCI-UHFFFAOYSA-N;124.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174299;MM174299;CC(C=NO)C(=O)C=O;ZXFIBNWLKZDVTD-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174300;MM174300;Nn1cc(O)c(=O)nc1O;PRASFUSDQYLZSN-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174301;MM174301;N=c1c(F)c(N)[nH]n1O;PKLLOJBSXBQNGW-UHFFFAOYSA-N;132.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174302;MM174302;C=CC(=N)N(C)C=CC;IDDCVCFNGYXCJZ-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174303;MM174303;C=CC(=N)N(C)C=CF;SNBCBAOUOYDLFT-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174304;MM174304;C=CC(=O)N(C)C=CC;ZJJAULMBVOEKGX-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174305;MM174305;CC=CN(C)C(=O)C=O;SUOYSQNMHIOIND-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174306;MM174306;CN(C=CF)C(=O)C#N;FRQQVNMYBFDKAA-UHFFFAOYSA-N;128.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174307;MM174307;C=CC(=N)N(O)C=CC;SQPBIOPWVZQWOG-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174308;MM174308;CN=c1cc(N)nnn1O;TUTAEIDTJXJWNA-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174309;MM174309;CN=c1nc(F)cnn1O;KMKWQSRDMXFAJM-UHFFFAOYSA-N;144.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174310;MM174310;N#CC(=N)N(O)C=CF;KYGKDOVAKLDXOX-UHFFFAOYSA-N;129.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174311;MM174311;C=CC(=C)N(C)C=NC;YPETUJKLQMWNOY-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174312;MM174312;C=CC(=N)N(C)C=NN;NPEHXHCOZIBTBA-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174313;MM174313;C=CC(=O)N(C)C=NO;SLCWDTIBSLXPMS-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174314;MM174314;CN=CN(C)C(=O)C=O;UPEDMQGJPFHKAY-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174315;MM174315;CN(C=NO)C(=O)C=O;NDAKOFWZYPFGOZ-UHFFFAOYSA-N;130.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174316;MM174316;CN(C=NO)C(=O)C#N;PXTNAUZQIZJLGZ-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174317;MM174317;C=CC(=C)N(N)C=NC;PYFBRXDRHWHKJQ-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174318;MM174318;N=c1ncc(C=O)nn1O;LWKLUZDLCBWERE-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174319;MM174319;COc1cnn(O)c(=N)n1;IFUWXGWHMOMDMD-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174320;MM174320;N=C(C=O)N(O)C=NO;BVSZQYXKYGOVCN-UHFFFAOYSA-N;131.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174321;MM174321;C#CC(=C)C(C)C=CC;FKMOQQQYELOOGC-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174322;MM174322;C#CC(=O)C(C)C=CC;APYJLPTWUCIVJA-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174323;MM174323;C#CC(=C)C(N)C=CC;IRCLWVDWHCBTSP-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174324;MM174324;C#CC(=C)C(O)C=CC;UNPYOTZMYJGVGW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174325;MM174325;C#CC(=O)C(O)C=CF;AKXQHENULAXYAT-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174326;MM174326;C#CC(=C)C(F)C=CC;SXYCBGMRTKHXDG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174327;MM174327;C#CC(=C)C(F)C=CF;QRAAAHKTXJVUMZ-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174328;MM174328;C#CC(=O)C(F)C=CC;XOVRFGFUBDULKJ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174329;MM174329;C#CC(=O)C(F)C=CF;DAXGQYWJGJHJHV-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174330;MM174330;C#CC(=C)C(C)C=NO;GNNCVZLLNYJJJZ-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174331;MM174331;Nc1cn(O)c(=O)nc1F;DEQCXFACYNEDIR-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174332;MM174332;C#CC(=C)N(N)C=NC;DXPKQEPNSUNBDW-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174333;MM174333;C=Cc1cc(=N)n(O)nn1;COHZKQUEWXJPBC-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174334;MM174334;N#Cc1cc(=N)n(O)nn1;HKYXOKVJHWBLDO-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174335;MM174335;CC#Cc1nc(CC)c[nH]1;IDJIJFRUDLHHNY-UHFFFAOYSA-N;134.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174336;MM174336;N=c1nnoc(=NN)n1O;NLKFPKKTZFKLRB-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174337;MM174337;C#CC(=N)N(O)C=NO;KSYRPRCPTZBTHA-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174338;MM174338;C#CC(=N)N(C)N=CC;VKSVQSYZAHJAQK-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174339;MM174339;C=C(C=CC)C(C)CC;NBRXBDRSCPQOEE-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174340;MM174340;C=C(C=CF)C(C)CC;FHRGMYKQHGFTLC-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174341;MM174341;C=C(C=CC)C(C)CN;PQAYOADQZKGZCW-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174342;MM174342;C=C(C=CF)C(C)CN;ZPCSBWMJKGGEFD-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174343;MM174343;CN=c1nncc(F)n1O;YRGYWKUREGJDFK-UHFFFAOYSA-N;144.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174344;MM174344;CN=c1c(C)cnnn1O;WUKNZZRSQYTPTQ-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174345;MM174345;C=C(C=CC)C(C)CF;VRVBHPBTTNOASD-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174346;MM174346;C=C(C=CC)C(N)CC;JTEKUWAAUCKHFZ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174347;MM174347;C=C(C=CF)C(N)CN;XZYAXTIZRQOCHN-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174348;MM174348;C=C(C=CC)C(N)CF;AJGQOGRSVUDEHG-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174349;MM174349;CC1(O)C=NOC1;VMBGRNMMYYTYKG-UHFFFAOYSA-N;101.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174350;MM174350;C=C(C=CF)C(O)CC;YYWMDSNLHVCMAU-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174351;MM174351;C=C(C=CC)C(O)CN;HADJZJDDMFBBRR-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174352;MM174352;C=C(C=CF)C(O)CO;NLABDMDFQXJEMT-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174353;MM174353;C=C(C=CC)C(O)CF;CXSBANPJXLPLRV-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174354;MM174354;C=C(C=CC)C(F)CN;QWFHBINTRGMPJK-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174355;MM174355;CC=CC(=O)C(C)CC;ARJWAURHQDJJAC-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174356;MM174356;CCC(C)C(=O)C=CN;HCDHPMSSWYWALW-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174357;MM174357;CCC(C)C(=O)C=CF;ZLNYSUSVAUVEGJ-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174358;MM174358;CC(CO)C(=O)C=CN;STFNNZUKFIXOGZ-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174359;MM174359;CC=CC(=O)C(C)CF;JJXCZZARYUSILF-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174360;MM174360;O=C(C=CF)C(O)CF;CUSWTKHEDPGRFM-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174361;MM174361;CC=CC(=O)C(F)CC;WJPFTCGNPKODTF-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174362;MM174362;NC=CC(=O)C(F)CO;DXSZGTQAHXWSTI-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174363;MM174363;O=C(C=CF)C(F)CO;LHNKRSIEOCCYIT-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174364;MM174364;C=C(C=NN)C(C)CC;HKKMNHFLJLVMPM-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174365;MM174365;N=c1n(O)cnn1O;KBDCXLDLAHSQLI-UHFFFAOYSA-N;116.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174366;MM174366;CCC(O)C(=O)N(C)N;HCCHCWNGMJRWQU-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174367;MM174367;C=C(C=NN)C(C)CF;TYKBKGQCFPCMEN-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174368;MM174368;C=C(C=NO)C(C)CF;SLNDBZRKFWOZFG-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174369;MM174369;C=C(C=NO)C(N)CC;BCVMKUYWABJUMM-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174370;MM174370;C=C(C=NO)C(N)CN;WVSNBQQHVPHKAX-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174371;MM174371;C=C(C=NO)C(N)CO;BNVWLXNGIWBYKS-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174372;MM174372;C=C(C=NO)C(O)CN;RWZGBFKQOAPZDE-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174373;MM174373;C=NNCC(O)C(=C)F;GPNMOEOPPVARDJ-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174374;MM174374;C=C(C=NO)C(O)CO;RFVROWABDVPAEJ-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174375;MM174375;C=C(C=NN)C(F)CC;UGXCCOVXBDTGPT-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174376;MM174376;C=C(C=CC)C(C)NC;WWRJNXCWKZXZRQ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174377;MM174377;C=C(C=CF)C(C)NC;IEGLJCPENDPUGC-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174378;MM174378;CC=CC(=O)C(C)NC;KBDQGBCRIXQJFU-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174379;MM174379;C=C(C=CC)C(C)OC;APSNUJOHNRIACB-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174380;MM174380;C=C(C=CF)C(C)OC;XULUNMFKVGNBLC-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174381;MM174381;COC(C)C(=O)C=CN;JVWHOBRANSFMFA-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174382;MM174382;C=C(C=NN)C(C)OC;DRUKHNUDLMJRMC-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174383;MM174383;CC=CC(=N)N(N)CC;IQHKZEZAUURVEP-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174384;MM174384;CC=CC(=O)N(C)CC;KMJRDOJYALQIFZ-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174385;MM174385;CC1CC1(C)C(=O)NN;ABNLLIOLWJONHQ-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174386;MM174386;CCN(C)C(=O)C=CF;QTRLOJMBNKRDQT-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174387;MM174387;CC1CC1(C)NNC=O;QXJLLBGRAAKZQV-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174388;MM174388;CCN(N)C(=O)C=CF;HTBUVMSQQIKUFY-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174389;MM174389;CCN(C)C(=O)C=NO;WZGIAFNNLSCYQJ-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174390;MM174390;CCN(N)C(=O)C=NO;GTVJMMJKRIPMJR-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174391;MM174391;CNN(C)C(=N)C=CF;OLZCAVGUAUWZHM-UHFFFAOYSA-N;131.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174392;MM174392;CC=CC(=O)N(C)NC;WEJRLPMBWFEXFR-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174393;MM174393;CCC1(NNC=O)CC1;XGXMDXMNCXVGEV-UHFFFAOYSA-N;128.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174394;MM174394;C#CC(C)(O)CN(N)C=O;AJEZFMNSXORFNA-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174395;MM174395;CNN(C)C(=O)C=NO;HZDFRPIMQWSNSM-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174396;MM174396;CC=CC(=O)N(C)OC;PQEMEGPARLNJKV-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174397;MM174397;CON(C)C(=O)C=CN;HEGBIPDXOBEANQ-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174398;MM174398;CON(C)C(=O)C=CF;ZGPXYRHCUCPOLU-UHFFFAOYSA-N;133.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174399;MM174399;C#CC(C)(O)CN(C)N=C;REIMAFRIIMFZLD-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174400;MM174400;C=CC(=O)NN(C)C(C)C;FNACIFIHLUITDT-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174401;MM174401;C=CCC(=O)NNC(C)C;DFAUDHXQSYAAJO-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174402;MM174402;CON(C)C(=O)C=NO;RESWLUHBSOMEAS-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174403;MM174403;C=CC(C)C(=C)C=CC;QMYRSJGVQSMUBG-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174404;MM174404;C=CC(C)C(=C)C=CF;NZXNUDUXHIKJGE-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174405;MM174405;C=C(C=CC)C(C)C=O;FTIGWLIDBTXOAA-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174406;MM174406;C=C(C=CC)C(C)C#N;DHORLKCTARCTAT-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174407;MM174407;C=C(C=CF)C(C)C=O;DFPGMYYTHGKRDW-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174408;MM174408;C=C(C=CF)C(C)C#N;VEPVLIRXCHRHTA-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174409;MM174409;C=CC(N)C(=C)C=CC;WFOCITWOAPAKBU-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174410;MM174410;C=CC(N)C(=C)C=CF;WIZFMYXSFCXVCT-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174411;MM174411;C=CC(=C)CNNC(C)=O;XBFFBTXQGUTPTL-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174412;MM174412;C=C(C=CC)C(O)C=O;XHRQHRKBGJGKPV-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174413;MM174413;C=C(C=CC)C(O)C#N;CTQRSMQVKJBRRU-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174414;MM174414;C=CC(F)C(=C)C=CC;IYMHPUYBKCDALP-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174415;MM174415;C=CC(F)C(=C)C=CF;QRDFEVRCVAFAKN-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174416;MM174416;C=C(C=CC)C(F)C#N;OSIHDTOPWDXXEP-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174417;MM174417;C=C(C=CF)C(F)C=O;LFLKDDUFMRBRAA-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174418;MM174418;C=CC(C)C(=O)C=CC;MNJSBRPGBDUHSE-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174419;MM174419;CC=CC(=O)C(C)C=O;SKFBWHXIHOENJC-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174420;MM174420;NC=CC(=O)C(O)C=O;QHPNEGILSOEZBP-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174421;MM174421;N#CC(O)C(=O)C=CN;UDAPYGVFAQDQOA-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174422;MM174422;C=CC(C)C(=C)C=NN;IXSBVVQARRZYTN-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174423;MM174423;C=C(C=NO)C(C)C#N;KBGSTUCCKVCSBF-UHFFFAOYSA-N;124.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174424;MM174424;C=CC(O)C(=C)C=NO;JJMKFLNGBMAESF-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174425;MM174425;C=CC(F)C(=C)C=NO;PBBSEBSWZDBFSR-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174426;MM174426;C=C(C=CC)N(C)C=N;ZMZWFUPJEBDQID-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174427;MM174427;C=C(C=CF)N(C)C=N;UIIJFUDFENOLTF-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174428;MM174428;C=C(C=CC)N(C)C=O;YWESWAHSPHKJSS-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174429;MM174429;C=C(C=CF)N(C)C=O;VRARYQVQBUMGAF-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174430;MM174430;C=C(C=CC)N(O)C=O;LWJQWTYHLXISIP-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174431;MM174431;C=CN(C)C(=N)C=CC;YCVFJZXQBHKALR-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174432;MM174432;C=CN(C)C(=N)C=CF;UAJAULMTMGRPJG-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174433;MM174433;CN(C=N)C(=N)C=CN;UMCAVTJOHACXNI-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174434;MM174434;CN(C=O)C(=N)C=CN;GPDHJAYRKZDIGW-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174435;MM174435;C=CN(N)C(=N)C=CC;KMJJDNADZWOQAU-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174436;MM174436;N=CN(N)C(=N)C=CN;WFLBPQRYFTWNNS-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174437;MM174437;N=C(C=CN)N(N)C=O;TYVLOMVNGQYUBU-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174438;MM174438;N=C(C=CF)N(N)C=O;XMOXVSYVVIUVQD-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174439;MM174439;C=CN(C)C(=O)C=CC;IEXCNUUDUZNVAG-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174440;MM174440;C=CN(C)C(=O)C=CF;JXNCNFAJLGHRFB-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174441;MM174441;CN(C=O)C(=O)C=CN;KULGAIPQJGJIEG-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174442;MM174442;CN(C=O)C(=O)C=CF;NLPJIQRSXOYTNQ-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174443;MM174443;CC(C)=CCOC(=O)NN;LDJPUKDUCDZMRO-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174444;MM174444;N=CN(N)C(=O)C=CF;FFDRBFVLSOANNY-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174445;MM174445;NC=CC(=O)N(N)C=O;PUXNMUSQXXAPNB-UHFFFAOYSA-N;129.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174446;MM174446;NN(C=O)C(=O)C=CF;UVGXBAIMMZNHGX-UHFFFAOYSA-N;132.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174447;MM174447;C=CN(O)C(=O)C=CF;KWIUVTURZASYOQ-UHFFFAOYSA-N;131.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174448;MM174448;C=C(C=NN)N(C)C=N;UNRQSRBQIOVJNJ-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174449;MM174449;C=C(C=NO)N(C)C=N;YADDFXHRPUETQA-UHFFFAOYSA-N;127.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174450;MM174450;C=C(C=NN)N(N)C=N;MMLUAMHJUBKCEL-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174451;MM174451;C=CC(=C)CC(=O)NNC;PRFDTVRKCMQNAZ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174452;MM174452;C#CCC(C)=CC(=O)NN;FTPDDTWYTYSCOV-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174453;MM174453;N=C(C=NO)N(N)C=O;YFSNRCLPUFWDLV-UHFFFAOYSA-N;130.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174454;MM174454;C=CC=CCNNC(C)=O;BDLXSKUKONDAJE-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174455;MM174455;CN(C=O)C(=O)C=NO;ARULRBFDLRIYOH-UHFFFAOYSA-N;130.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174456;MM174456;CC(C)ON=CNNC=O;KQRFQUMUWQDTCN-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174457;MM174457;N=CN(N)C(=O)C=NO;CYDXNNAIONNNRA-UHFFFAOYSA-N;130.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174458;MM174458;N=C(N)C(=O)C(O)CC=O;UTSIYLKTFTWDQD-UHFFFAOYSA-N;144.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174459;MM174459;C=NN(C)C(=O)C=CC;UPPSAVWZZMVQDY-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174460;MM174460;C=CCN(NC=O)C(C)C;FNUYCGRJMJGHQG-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174461;MM174461;C=NN(C)C(=N)C=NO;AJWZYFNXMCGIQC-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174462;MM174462;Nc1nc(=O)cc(F)n1O;OPCALUHQBFZNJJ-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174463;MM174463;C=NN(C)C(=O)C=NO;CQDHXFROEQYDFY-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174464;MM174464;C#CC(C)C(=C)C=CC;FOOCKZFTSHCLCP-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174465;MM174465;C#CC(C)C(=C)C=CF;GYQGADYSKJRMCT-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174466;MM174466;C#CC(N)C(=C)C=CC;RWIMRCRLWUDJAY-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174467;MM174467;C#CC(N)C(=C)C=CF;IZEKLMWYPWHQCW-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174468;MM174468;C#CC(O)C(=C)C=CC;WJUDEJYSILGIBK-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174469;MM174469;C#CC(O)C(=C)C=CF;ITGJXQICSYFZAB-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174470;MM174470;C#CC(F)C(=C)C=CC;MEHPBQMBKOLQOQ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174471;MM174471;C#CC(C)C(=O)C=CN;YVTIGMDSHHJEQM-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174472;MM174472;C#CC(C)C(=O)C=CF;ZAXZOSHZSACGNJ-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174473;MM174473;C#CC(O)C(=O)C=CN;DBMGVVQWBVNMJP-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174474;MM174474;C#CC(F)C(=O)C=CC;PGBKGQQFWLKMRB-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174475;MM174475;C#CC(F)C(=O)C=CF;JHGJTIRCXMMVBU-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174476;MM174476;C#CC(C)C(=C)C=NN;SFZURWOLWPBQCC-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174477;MM174477;C#CC(C)C(=C)C=NO;SGVWRWMLSSCAAC-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174478;MM174478;C=C(C=CC)C(=C)CC;WQEPUZQQQCNCDU-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174479;MM174479;C=C(C=CC)C(=C)CN;BDIFORSMLMYXKF-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174480;MM174480;C=CC(C)NNC(=O)CC;XBTAAKFYYCDFDI-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174481;MM174481;C=C(C=CC)C(=C)CF;GREHYPDPLGFWCI-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174482;MM174482;C=C(C=CF)C(=C)CF;QDLGAVNHUKAYSA-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174483;MM174483;C=C(C=CC)C(=O)CC;ZBEBHHODFOXVRC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174484;MM174484;C=C(C=CF)C(=O)CC;YKMUTMBIAYEAKO-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174485;MM174485;C=C(CC)C(=O)C=CC;OYPRNDARGYWGME-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174486;MM174486;C=C(CC)C(=O)C=CF;WTQVSSODUGDPOS-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174487;MM174487;C=C(CO)C(=O)C=CC;ZESQRFZOPBCFOR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174488;MM174488;C=C(CO)C(=O)C=CN;ZQGJBFCXNSWTCD-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174489;MM174489;C=C(CF)C(=O)C=CC;AEBVLCFJVYBJBY-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174490;MM174490;CC=CC(=O)C(=O)CF;AZMLQYRWYBIFDT-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174491;MM174491;C=C(C=NN)C(=C)CC;CMMDFVCLMQXGBS-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174492;MM174492;C=CC(C)(O)C#CC1CN1;PKGXKWYKHYFPMV-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174493;MM174493;CCC(O)C(=O)N(N)CC;BKERWBNCXRRKCM-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174494;MM174494;C=C(C=NO)C(=C)CO;BCDQHURURLKCCG-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174495;MM174495;C=C(C=NO)C(=C)CF;JFYQJIQSQKUMKQ-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174496;MM174496;C=C(C=NO)C(=O)CC;IBOVHCACLRXRGA-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174497;MM174497;O=c1[nH]nc(CF)n1O;MKGGMBOVCOAZBB-UHFFFAOYSA-N;133.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174498;MM174498;C=C(C=CC)C(=N)NC;CDKIPTWESWNNJH-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174499;MM174499;C=C(C=CC)C(=N)NN;ROZSWPKEDOXTFH-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174500;MM174500;C=C(C=CC)C(=N)NO;PMTTWFNEQPRESB-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174501;MM174501;CCC(O)C(=O)N(C)C=N;XTOGCSKGEPUUJI-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174502;MM174502;C=C(CCOC)C(=O)NN;LNBORXTYKWUNMK-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174503;MM174503;C=C(C=CC)C(=O)NO;OKHASTGIODTMGX-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174504;MM174504;CC(=CCCO)C(=O)NN;NCAVOXDSYVNAQN-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174505;MM174505;CN=C(N)C(=O)C=CF;MXNLRYWIMZAMKU-UHFFFAOYSA-N;130.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174506;MM174506;CN=c1nc(C)cnn1O;NWANBQBOPKXWFU-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174507;MM174507;CNC(=O)C(=O)C=CF;TWAXLTYVAIKJPE-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174508;MM174508;COCC(O)C(CO)=NN;FYPWFLJNXJMRFC-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174509;MM174509;C=C(C=NO)C(=O)NC;MKKQGGVEMCHJMA-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174510;MM174510;C=C(C=NO)C(=C)OC;PLMCXQKCUBKEPL-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174511;MM174511;O=c1cc2nncc-2[nH]o1;UMBASZJCUHDJMB-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174512;MM174512;C=CC(=C)C(=C)C=CC;GJDTWWHYULVJGU-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174513;MM174513;C=C(C=O)C(=C)C=CC;AFWQCFWHFPZKPW-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174514;MM174514;C=C(C#N)C(=C)C=CC;NAVCTAGSEZBPLL-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174515;MM174515;C=C(C=O)C(=C)C=CF;PUGNZGJHSULMLY-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174516;MM174516;C=C(C#N)C(=C)C=CF;SPWMPLMEVPXKBJ-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174517;MM174517;C=CC(=O)C(=C)C=CC;WKKRYGJFGINQCM-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174518;MM174518;C=CC(=O)C(=C)C=CF;CISOXAGQIBVJDS-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174519;MM174519;C=C(C=CC)C(=O)C=O;ISERAKWOPVWATG-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174520;MM174520;C=CC(=C)C(=O)C=CN;UTOGZEWOBBYMMZ-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174521;MM174521;C=C(C=O)C(=O)C=CC;LSQHUSUQSGPFIR-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174522;MM174522;C=C(C#N)C(=O)C=CC;FTRGOGPKGYQWQV-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174523;MM174523;C=C(C=O)C(=O)C=CN;JICWUMHYEHPEEB-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174524;MM174524;C=C(C#N)C(=O)C=CF;UUYDPEHJYREZEA-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174525;MM174525;C=CC(=O)C(=O)C=CC;IUBBJDDPHOBZEH-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174526;MM174526;CC=CC(=O)C(=O)C#N;RVCVYZIKNPVXNA-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174527;MM174527;N#CC(=O)C(=O)C=CF;SWRHCMJBKZLPDQ-UHFFFAOYSA-N;127.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174528;MM174528;C=CC(=C)C(=C)C=NN;MNWWVKBVFPFSJI-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174529;MM174529;C=C(C#N)C(=C)C=NO;KFSKLLDTQWXZMA-UHFFFAOYSA-N;122.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174530;MM174530;C=CC(=O)C(=C)C=NO;PTSUHSRTOCCMDH-UHFFFAOYSA-N;125.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174531;MM174531;C=C(C=NO)C(=O)C=O;VPYUMDDUTWZBKC-UHFFFAOYSA-N;127.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174532;MM174532;C#CC(=C)C(=C)C=CC;AKYDZZASNZBDQZ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174533;MM174533;C#CC(=O)C(=C)C=CC;DRNXCQUMXCUJTH-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174534;MM174534;C#CC(=C)C(=O)C=CC;ULEVJNUFFLNLRW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174535;MM174535;C#CC(=O)C(=O)C=CN;ZUYQPLFDXWXMSE-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174536;MM174536;C#CC(=C)C(=C)C=NO;NPFDPYUGIMZGBS-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174537;MM174537;CC#CC(C)C(C)CC;GDOTUAWHZXKSSX-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174538;MM174538;CC#CC(C)C(C)CN;WWYJPCKXLCFTNO-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174539;MM174539;N=c1nc(C=O)cnn1O;KZRXIUAJFOFLIC-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174540;MM174540;CC#CC(C)C(C)CF;IESJQNJYEPBAQP-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174541;MM174541;CC#CC(C)C(N)CC;AVCUQFSDMPLRIS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174542;MM174542;N#Cc1cnn(O)c(=N)n1;MZRFGRISZYLWSQ-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174543;MM174543;CC#CC(C)C(O)CF;GASKFNWQKDQMJU-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174544;MM174544;CC#CC(C)C(F)CC;QMSNYZXIWZYCCI-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174545;MM174545;CC#CC(C)C(F)CN;WYHCWLUTJPTFRO-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174546;MM174546;CC#CC(C)C(F)CO;KOQNWEVNAGBTPW-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174547;MM174547;CC#CC(N)C(C)CC;BFAKFPQVLDMNCG-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174548;MM174548;CC#CC(N)C(C)CO;JQPWIELAJMXICB-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174549;MM174549;CC#CC(N)C(C)CF;IYQSLCJHDDQJNE-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174550;MM174550;CC#CC(N)C(N)CN;QXNURHZAIMEOEP-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174551;MM174551;CC#CC(N)C(N)CO;KNLICAHSTVMPOR-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174552;MM174552;CC#CC(N)C(N)CF;BTAHAEUGWBTDKK-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174553;MM174553;CC#CC(N)C(O)CN;VGLKVBACLNDIFP-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174554;MM174554;CC#CC(O)C(C)CC;AKPJQXFKNIJYBG-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174555;MM174555;CC#CC(O)C(C)CN;MYRHURPJCKFFSP-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174556;MM174556;CC#CC(O)C(C)CO;KPPWHYOYXSPHGB-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174557;MM174557;CC#CC(O)C(N)CC;GZUZIBVHTXLIID-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174558;MM174558;CC#CC(O)C(N)CN;WMOHRBTUPDMIMU-UHFFFAOYSA-N;128.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174559;MM174559;CC#CC(O)C(N)CO;JQIZEDJANLEVDD-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174560;MM174560;CC#CC(O)C(O)CC;CDXRTHGSSFFZBN-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174561;MM174561;CC#CC(O)C(O)CN;BJGBWIDKRMGWHL-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174562;MM174562;CC#CC(O)C(O)CO;MKZGEJVZOUBAEV-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174563;MM174563;CC#CC(O)C(O)CF;DGBWQZILRMVGNV-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174564;MM174564;CC#CC(O)C(F)CO;IYOOKKUANBXMSN-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174565;MM174565;CC#CC(O)C(F)CF;XVFSQFPDVGFKMR-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174566;MM174566;CC#CC(F)C(C)CC;QJXHHMZGTYAJAV-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174567;MM174567;CC#CC(F)C(C)CN;XBYGMFCSPPZABW-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174568;MM174568;CC#CC(F)C(C)CO;LMHHLBIVHBYNNK-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174569;MM174569;CC#CC(F)C(C)CF;PSNYEXGMJWOQKS-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174570;MM174570;CC#CC(F)C(N)CC;LDCYKLQMSBMSEA-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174571;MM174571;CC#CC(F)C(O)CC;UFESPEASIFCMCM-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174572;MM174572;CC#CC(F)C(O)CO;GDDXNVWPXMHCKS-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174573;MM174573;CC#CC(F)C(F)CC;GIYFHCNSDFYREC-UHFFFAOYSA-N;132.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174574;MM174574;CC#CC(F)C(F)CN;UGRSSEZFIWWWCS-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174575;MM174575;CC#CC(F)C(F)CO;PZLRCYZTYWFRJZ-UHFFFAOYSA-N;134.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174576;MM174576;CC#CC(F)C(F)CF;DXNMQPCULAFQDC-UHFFFAOYSA-N;136.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174577;MM174577;CC#CC(C)C(C)NC;ZLTCVLHOJBTVPM-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174578;MM174578;CC#CC(C)C(C)OC;RSAMGHWHZAIGTF-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174579;MM174579;CC#CC(O)C(C)OC;VBVISEZYLGNXDL-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174580;MM174580;CC#CC(F)C(C)OC;BVSVUMZJVMOHQG-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174581;MM174581;CC#CC(C)N(C)CC;JQSSXJJNVNDUAM-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174582;MM174582;C=CC(C)C(C)C#CC;HOESJFUWCLAXIW-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174583;MM174583;CC#CC(C)C(C)C=O;KDXNJEXQEWKVEF-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174584;MM174584;CC#CC(C)C(C)C#N;YFXAJPXSGFYEEE-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174585;MM174585;C=CC(N)C(C)C#CC;FWUHYKQLHGMYRR-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174586;MM174586;CC#CC(C)C(O)C=O;GCWBACZHPLBAKO-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174587;MM174587;CC#CC(C)C(O)C#N;PPMIFYUOUJSOCF-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174588;MM174588;C=CC(F)C(C)C#CC;KXNMVOFEJULJHL-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174589;MM174589;CC#CC(C)C(F)C=O;IQYFMMYTADYMIU-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174590;MM174590;CC#CC(C)C(F)C#N;FHMCUYCGZCRUKL-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174591;MM174591;CC#CC(O)C(C)C=O;NNIYHZVRGTVTPD-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174592;MM174592;C=CC(F)C(O)C#CC;KWGOOBXHMVIEFH-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174593;MM174593;CC#CC(O)C(F)C#N;CWUDZLFTLQYFDV-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174594;MM174594;C=CC(C)C(F)C#CC;RMQXVSYAVLAEQT-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174595;MM174595;CC#CC(F)C(C)C=O;YKVRLCLUQUDZNC-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174596;MM174596;C=CC(O)C(F)C#CC;CJCQOZCFNSQDCT-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174597;MM174597;CC#CC(F)C(O)C=O;MSWVNHXISJQUBT-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174598;MM174598;C=CC(F)C(F)C#CC;ITDGESAQJHNRKU-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174599;MM174599;CC#CC(F)C(F)C#N;PHVZJFCJXSPUMZ-UHFFFAOYSA-N;129.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174600;MM174600;CC#CC(C)N(C)C=N;JFXKEEIRGFLEQG-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174601;MM174601;CC#CC(C)N(C)C=O;YFQJBTRFTVPAPS-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174602;MM174602;CC#CC(C)N(N)C=O;PGSZSALVAPGTOV-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174603;MM174603;C=NN(C)C(C)C#CC;VVTNIMBXUQVTMT-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174604;MM174604;C#CC(C)C(C)C#CC;RESQSLYKJUZKSS-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174605;MM174605;C#CC(N)C(C)C#CC;KOLOYWZENPISFK-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174606;MM174606;C#CC(O)C(C)C#CC;UHXPRRAMTVSQDN-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174607;MM174607;C#CC(F)C(C)C#CC;UEOZONZLHMYXPU-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174608;MM174608;C#CC(C)C(N)C#CC;MVIZXJHBUVCTAX-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174609;MM174609;C#CC(C)C(O)C#CC;DSUVLKBSQTWLQA-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174610;MM174610;C#CC(F)C(O)C#CC;UJMVLCXTCBEXEY-UHFFFAOYSA-N;126.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174611;MM174611;C#CC(C)C(F)C#CC;RNDDAWHPXIYIFW-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174612;MM174612;C#CC(F)C(F)C#CC;OCFGUJABVHLIRP-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174613;MM174613;C=C(CC)C(C)C#CC;ZHEFZSSJSVQBGI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174614;MM174614;C=C(CN)C(C)C#CC;QSXVHXLWZLGBPJ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174615;MM174615;C=C(CF)C(C)C#CC;VFWFLDJUQBRJPZ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174616;MM174616;CC#CC(C)C(=O)CC;CUCAMJFZCUMZBZ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174617;MM174617;CC#CC(C)C(=O)CO;QGJWTUPSTBXOOM-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174618;MM174618;CC#CC(C)C(=O)CF;UXKDRMBLXCXGAP-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174619;MM174619;C=C(CC)C(N)C#CC;XOZSOWZAAWLWNU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174620;MM174620;C=C(CF)C(N)C#CC;JZNNLIBDQNQETR-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174621;MM174621;C=C(CC)C(O)C#CC;QEYQUXGXZQIBAQ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174622;MM174622;C=C(CF)C(O)C#CC;LBFYIQBXSOBXQY-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174623;MM174623;CC#CC(O)C(=O)CC;UECYECZLDSOFBY-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174624;MM174624;CC#CC(O)C(=O)CO;GWUUFHMZKXXPJC-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174625;MM174625;CC#CC(O)C(=O)CF;YPDCHJZRXIFWQW-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174626;MM174626;C=C(CC)C(F)C#CC;KUNYKGQSUNGNBU-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174627;MM174627;C=C(CN)C(F)C#CC;KUUIFCSRGJGECM-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174628;MM174628;C=C(CF)C(F)C#CC;GMBMPKLGUVBZPG-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174629;MM174629;CC#CC(F)C(=O)CC;LSKHQVXQORQLCN-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174630;MM174630;CC#CC(F)C(=O)CO;RVOQABCXBYKOFO-UHFFFAOYSA-N;130.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174631;MM174631;CC#CC(C)C(=N)NC;NKZPFKKEYRPCJP-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174632;MM174632;CC#CC(C)C(=N)NN;MXGAILLXYVUSLB-UHFFFAOYSA-N;125.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174633;MM174633;CC#CC(C)C(=O)NC;LSCOOVPYSHJXKO-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174634;MM174634;C#Cc1nc(CCC)c[nH]1;LXQLWDCACOZDLO-UHFFFAOYSA-N;134.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174635;MM174635;CC#CC(N)C(=N)NC;OCRWEMVCIQKIMV-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174636;MM174636;CC#CC(O)C(=O)NN;GJBOGVACULZNFQ-UHFFFAOYSA-N;128.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174637;MM174637;CC#CC(O)C(=O)NO;JGCYNVMEDXJCAL-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174638;MM174638;CC#CC(F)C(=O)NC;HBVOAJIKUZMQIH-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174639;MM174639;C=C(OC)C(C)C#CC;NZCKLRANERPLED-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174640;MM174640;CC#CC(C)C(=O)OC;GUQCYOGRKBLYEA-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174641;MM174641;C=C(OC)C(O)C#CC;MXSQSJRHBKTXRG-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174642;MM174642;C=C(OC)C(F)C#CC;SXJSABCTLKPPQU-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174643;MM174643;CC#CC(F)C(=O)OC;VABKTQLONJTQJT-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174644;MM174644;C=CC(=C)C(C)C#CC;GFTMUDYQKJBJDS-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174645;MM174645;C=C(C=O)C(C)C#CC;MVRSUTUSZVJURG-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174646;MM174646;C=C(C#N)C(C)C#CC;KOHZVZYEOKSLKJ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174647;MM174647;C=CC(=O)C(C)C#CC;YLJHZBRUXUIQSP-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174648;MM174648;CC#CC(C)C(=O)C#N;SJAKCAZGAQOYDU-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174649;MM174649;C=CC(=C)C(N)C#CC;HSTIWLWRCFHWQU-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174650;MM174650;C=C(C=O)C(O)C#CC;GFSRTRPNLCCSLJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174651;MM174651;C=C(C#N)C(O)C#CC;YPSDGAVFWWIMPW-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174652;MM174652;C=CC(=O)C(O)C#CC;NWHHXTAHIJBXDQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174653;MM174653;C=CC(=C)C(F)C#CC;KLVANSOUJNBYMC-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174654;MM174654;C=C(C=O)C(F)C#CC;LFQJVUPWPGJBDE-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174655;MM174655;C=C(C#N)C(F)C#CC;YLIQXYIHWVYGTN-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174656;MM174656;C=CC(=O)C(F)C#CC;WSKWNJFYMKKZPC-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174657;MM174657;CC#CC(F)C(=O)C=O;VTKNIHAIFMJEHL-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174658;MM174658;CC#CC(F)C(=O)C#N;KTJUCZGCJYDFGC-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174659;MM174659;C#CC(=C)C(C)C#CC;BNNJKFOFVZMXNV-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174660;MM174660;C#CC(=O)C(C)C#CC;VLSHXQACHSWSMA-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174661;MM174661;C#CC(=C)C(O)C#CC;GDYWKCMZCCSDRP-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174662;MM174662;C#CC(=C)C(F)C#CC;HSAXMEMEANMCHE-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174663;MM174663;C#CC(=O)C(F)C#CC;SARHBIPCVNVFFG-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174664;MM174664;C=C(C#CC)C(C)CC;PISNYCGPPGOZNG-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174665;MM174665;C=C(C#CC)C(C)CN;FJJBTQAKBGOIHD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174666;MM174666;C#Cc1c[nH]c(CC=C)n1;YPPDLGAGCNDOQP-UHFFFAOYSA-N;132.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174667;MM174667;C=C(C#CC)C(C)CF;CXDMSTCYTIYSLO-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174668;MM174668;C=C(C#CC)C(N)CC;SFKUUFVZZQFIGT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174669;MM174669;CC#CC1NC(C#N)C1O;VOLFMANSAVVKAB-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174670;MM174670;C=C(C#CC)C(O)CN;FAERAKRMSWRGQC-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174671;MM174671;C=C(C#CC)C(O)CF;VBIRUUXWRWDSNT-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174672;MM174672;C=C(C#CC)C(F)CC;OJCOGJIQASSXFC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174673;MM174673;C=C(C#CC)C(F)CN;JLUVAIZLJQZPAW-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174674;MM174674;C=C(C#CC)C(F)CO;QUKACKVOUBZXRY-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174675;MM174675;C=C(C#CC)C(F)CF;SHTUHGVSHXPYDP-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174676;MM174676;CC#CC(=O)C(C)CC;JWQQJVQQJKKXIY-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174677;MM174677;CC#CC(=O)C(O)CO;NORQZZXWYRTGMU-UHFFFAOYSA-N;128.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174678;MM174678;CC#CC(=O)C(F)CF;YIAKIMKAWFSTFR-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174679;MM174679;C=C(C#CC)C(C)NC;IDDHQLFUANVUCH-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174680;MM174680;C=C(C#CC)C(C)OC;MUPMQDDKQOLXQN-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174681;MM174681;CC#CC(=O)C(C)OC;HDYORQVDCJCFSV-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174682;MM174682;CC#CC(=N)N(C)CC;VSNVLIVLPKTWPB-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174683;MM174683;CC#CC(=N)N(N)CC;CFDWRVWVXGTBTO-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174684;MM174684;CC#CC(=O)N(C)OC;NVIUJXANIQHNOE-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174685;MM174685;C=CC(C)C(=C)C#CC;LZXRWWXKKLBZQD-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174686;MM174686;C=C(C#CC)C(C)C=O;NQDWAAFNEIISAH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174687;MM174687;C=C(C#CC)C(C)C#N;OQEOEOSMAROQQI-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174688;MM174688;C=CC(N)C(=C)C#CC;UBCCUARKEJIKOG-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174689;MM174689;C=CC(O)C(=C)C#CC;KPWUHEQCGLZBLL-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174690;MM174690;C=CC(F)C(=C)C#CC;JCENQLVLHVGJCI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174691;MM174691;C=C(C#CC)C(F)C=O;PEXZJZDXXSSJST-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174692;MM174692;C=C(C#CC)C(F)C#N;CGVTWLYVIIUBQO-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174693;MM174693;C=CC(C)C(=O)C#CC;SVYUYJXAEMNBTL-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174694;MM174694;CC#CC(=O)C(C)C#N;GVEHRCHUEATHTH-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174695;MM174695;C=CC(F)C(=O)C#CC;CLCBXDATROWWBF-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174696;MM174696;CC#CC(=O)C(F)C#N;MRSJYQCYGWDHCL-UHFFFAOYSA-N;125.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174697;MM174697;C=C(C#CC)N(C)C=N;SOQVFJWVQISWCN-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174698;MM174698;C=CN(C)C(=N)C#CC;GMWFBWIYKQMHSC-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174699;MM174699;C=CN(N)C(=N)C#CC;LMJQFKPECDJQNO-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174700;MM174700;CC#CC(=O)N(N)C=N;PVGHIONQKZLKIZ-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174701;MM174701;C=CN(O)C(=O)C#CC;OJOONSLWSJKRML-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174702;MM174702;C=NN(C)C(=O)C#CC;BPTPBJMTYGDYHJ-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174703;MM174703;C#CC(C)C(=C)C#CC;WVCLSUYMSHQOOX-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174704;MM174704;C#CC(O)C(=C)C#CC;GGIBRBBVQKRWQJ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174705;MM174705;C#CC(F)C(=C)C#CC;RSKMCQLZCLFWSB-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174706;MM174706;C#CC(F)C(=O)C#CC;YFCZRGYWMZOJRT-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174707;MM174707;C=C(C#CC)C(=C)CC;SHMQMCNZGYAESS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174708;MM174708;C=C(C#CC)C(=C)CN;PTXGSKNFBWKWAO-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174709;MM174709;C=C(C#CC)C(=C)CO;OJQOJNQTSRPBNA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174710;MM174710;C=C(C#CC)C(=C)CF;CZJVJPHRZMUIEK-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174711;MM174711;C=C(C#CC)C(=O)CC;XMCVIZIBGLZYLR-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174712;MM174712;C=C(C#CC)C(=O)CO;ZKPYDNMOZISYNQ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174713;MM174713;C=C(C#CC)C(=O)CF;KSBFMNKOGJCDEB-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174714;MM174714;C=C(CC)C(=O)C#CC;FJDPGDILDOUAFW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174715;MM174715;C=C(CF)C(=O)C#CC;FSPJCNAODHJJAR-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174716;MM174716;CC#CC(=O)C(=O)CC;CBLIAFBLSQJKIK-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174717;MM174717;CC#CC(=O)C(=O)CO;UNQGLQVXTIPBTO-UHFFFAOYSA-N;126.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174718;MM174718;CC#CC(=O)C(=O)CF;IGYSCCWVCMVVLJ-UHFFFAOYSA-N;128.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174719;MM174719;C=C(C#CC)C(=N)NC;RZTDDTBYWYDQGM-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174720;MM174720;C=C(C#CC)C(=N)NN;YTYGQMKCMLKUTO-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174721;MM174721;C=C(C#CC)C(=N)NO;OCSQTFIZRFUXGI-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174722;MM174722;C=C(C#CC)C(=C)OC;JZIYFLRJCXVLIX-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174723;MM174723;C=C(C#CC)C(=O)OC;TUUAYGZPAILNTQ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174724;MM174724;C=C(OC)C(=O)C#CC;GBXPENVJOGTURF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174725;MM174725;CC#CC(=O)C(=O)OC;FTKVDAXQQARWIE-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174726;MM174726;C=CC(=C)C(=C)C#CC;JYNNTZZDHWXUCB-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174727;MM174727;C=C(C#CC)C(=C)C=O;BNSAQAAINZNIBG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174728;MM174728;C=C(C#N)C(=C)C#CC;ZAUZLGUGFVIFQT-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174729;MM174729;C=CC(=O)C(=C)C#CC;WEZRXSUIDFTNST-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174730;MM174730;C=C(C#CC)C(=O)C#N;LILKKKLLWYFHDF-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174731;MM174731;C=CC(=C)C(=O)C#CC;DABCXCDHZLFUOV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174732;MM174732;C=C(C=O)C(=O)C#CC;XVYDHJCUKSDEPU-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174733;MM174733;C=C(C#N)C(=O)C#CC;FOGNAEUTXCOTLC-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174734;MM174734;C=CC(=O)C(=O)C#CC;ITTSTEYLGBQLPS-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174735;MM174735;CC#CC(=O)C(=O)C=O;IQEUGYRMQOAYHK-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174736;MM174736;CC#CC(=O)C(=O)C#N;HLJVYGOVJUMBPQ-UHFFFAOYSA-N;121.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174737;MM174737;C#CC(=C)C(=C)C#CC;MLOBEQXIIWDYCB-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174738;MM174738;C#CC(=O)C(=C)C#CC;OZHJSILSFGALLE-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174739;MM174739;C#CC(=C)C(=O)C#CC;ORWAUORMUPZSRU-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174740;MM174740;C#CC(=O)C(=O)C#CC;UPYBFHCXMCMOHS-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174741;MM174741;CC=C(C)C(C)CCC;MNYBJMWOTTVYJA-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174742;MM174742;CCCC(C)C(C)=CF;YXHQRAUERSTMKP-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174743;MM174743;CC(=CF)C(C)CCN;GXSXVIZPLACLBY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174744;MM174744;CCCON=CNNC=O;UEZRKZNBIDMIQH-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174745;MM174745;CC(=CF)C(C)CCF;QGRHATGYEZPWGR-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174746;MM174746;CC=C(F)C(C)CCN;IGMBFWAPGLATPV-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174747;MM174747;CC(CCO)C(F)=CF;SYSDFFWAXDOPBU-UHFFFAOYSA-N;136.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174748;MM174748;CC=C(C)C(N)CCC;WVGWNSLTJACKST-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174749;MM174749;CC=C(C)C(N)CCF;KCNABBQHCGOTFC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174750;MM174750;CCCC(N)C(C)=CF;JIUUPKLMJUYESO-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174751;MM174751;CC(=CF)C(N)CCN;YHSVOQRSXLILIN-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174752;MM174752;CC(=CF)C(N)CCF;KOSZZYBFMAEBKN-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174753;MM174753;CC=C(F)C(N)CCC;HQLKEGAROHNSTK-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174754;MM174754;CC=C(F)C(N)CCN;REYKTBHNLVUMNA-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174755;MM174755;NCCC(N)C(F)=CF;KUMQHJHQBBYESZ-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174756;MM174756;NN=CC(O)CF;HZZGOJVJVDGNBA-UHFFFAOYSA-N;106.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174757;MM174757;CC(=CF)C(O)CCN;GNDCGMLVZXLYFJ-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174758;MM174758;CC(=CF)C(O)CCF;KVWYCSYXPWEEJA-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174759;MM174759;CC=C(F)C(O)CCC;MRNVVJKQNYAOFM-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174760;MM174760;OCCC(O)C(F)=CF;FGZSJJAITSMAOG-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174761;MM174761;CC=C(C)C(F)CCC;IIMRYWABDIABJN-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174762;MM174762;CC=C(C)C(F)CCN;ABSODRHUWNXUJC-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174763;MM174763;CC=C(C)C(F)CCO;JMUPGAIZODKABD-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174764;MM174764;CC=C(C)C(F)CCF;FGFCHHBDTFTWTL-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174765;MM174765;CC(=CF)C(F)CCN;UOSRWGJKMGYKQI-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174766;MM174766;CC(=CF)C(F)CCO;LUMKOMRBESMJIZ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174767;MM174767;CC(=CF)C(F)CCF;YUFFMPDTJUIYIU-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174768;MM174768;CC=C(F)C(F)CCN;IDFKBLXHDDMMIZ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174769;MM174769;CC=C(C)C(C)CNC;IITZEVGXRCTBAV-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174770;MM174770;CC=C(F)C(C)CNC;GIUJXDKPWKTHKT-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174771;MM174771;CNCC(N)C(F)=CF;GDPOSJZTLKVNTB-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174772;MM174772;CC=C(C)C(F)CNC;JZFYKZWDZAVTIQ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174773;MM174773;CC=C(F)C(F)CNC;HBRAFNCYIDORKU-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174774;MM174774;CC=C(C)C(C)COC;QFSZBIPKZGHRII-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174775;MM174775;CC=C(F)C(C)COC;BQCWSKXYUGNWPX-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174776;MM174776;COCC(O)C(F)=CF;XLRVYGHXEQPJGM-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174777;MM174777;CC=C(C)C(F)COC;SVBUOCDRHIOFLZ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174778;MM174778;CCCC(C)C(C)=NN;QAKPALABEXVIHO-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174779;MM174779;CC(=NO)C(C)CCF;FAYZPLUAEJFQOO-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174780;MM174780;CCCC(N)C(C)=NO;SIQLGGGYLQLODF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174781;MM174781;CC(=NO)C(N)CCN;CFXBCTFKGQXDMP-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174782;MM174782;CC(=NO)C(N)CCO;JOIIZWWCKPPSSR-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174783;MM174783;CC(=NO)C(O)CCN;VMKTVSRTHGOWGL-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174784;MM174784;CC(=NO)C(O)CCO;PDLXWBXDGLCIHX-UHFFFAOYSA-N;133.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174785;MM174785;CCCC(F)C(C)=NN;VQZJCUVAOMIOHD-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174786;MM174786;CC(=NN)C(F)CCF;PNJKBVBOAIYQBO-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174787;MM174787;COCC(C)C(C)=NN;VBCVIEVDBRCHFO-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174788;MM174788;CC=C(C)C(C)NCC;VXZFRYLNQSIQQZ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174789;MM174789;CCNC(C)C(C)=CF;IWPKLFXESNGNJB-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174790;MM174790;CCNC(C)C(C)=NO;AGULJNKWVARLSO-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174791;MM174791;CC=C(C)C(C)OCC;DTYFJFUGVDENJD-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174792;MM174792;CCOC(C)C(C)=NO;FEHJNVRGXSRPIK-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174793;MM174793;CC(=NN)N(C)CCO;DDBLFSCQKJPAIG-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174794;MM174794;CC(=NN)N(C)CCF;IUSMWQYFHAMHOQ-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174795;MM174795;CCN(C)C(=O)NN;UHAQAUKTBHUDGG-UHFFFAOYSA-N;117.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174796;MM174796;C=NN=C1CC=C(C)N1;IEUXCWLVHYDJBY-UHFFFAOYSA-N;123.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174797;MM174797;CN=C(C)N(O)CCN;POGOUFKTVXMYJN-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174798;MM174798;C#CC1NC(C#N)C1O;XFMOSWQTSIEZIE-UHFFFAOYSA-N;122.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174799;MM174799;NN=c1ncn(O)n1O;BQVXITVRQIOSHO-UHFFFAOYSA-N;131.1;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174800;MM174800;CC(=NO)N(O)CCO;ATHVRFPLDFTPAU-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174801;MM174801;CCON(C)C(C)=NC;XRIDCUQDYRRWIZ-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_N0";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174802;MM174802;CC=C(C)C(C)CC=O;TZLMPVJMPBZRHP-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174803;MM174803;CC=C(C)C(C)CC#N;KKLFVEHQMRSFSS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174804;MM174804;CC(=CF)C(C)CC#N;SSUATBCWXXMDCN-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174805;MM174805;CC=C(F)C(C)CC=O;YZBZRSBWJDVDJX-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174806;MM174806;CC=C(F)C(C)CC#N;HJVYFKMCSOLSST-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174807;MM174807;C=CCC(N)C(C)=CC;BMIIZOOWWLDIFK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174808;MM174808;C=CCC(N)C(C)=CF;YROUSWCNTKRFHN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174809;MM174809;C=CC1=NOC(=O)C1N;SDQLWHBYTRLJSX-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174810;MM174810;CC=C(F)C(O)CC#N;HEAXKGVYRYMJMQ-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174811;MM174811;N#CCC(O)C(F)=CF;BOSKOAOUHMBNHC-UHFFFAOYSA-N;133.1;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174812;MM174812;C=CCC(F)C(C)=CC;FNHQPRXHWRFKPU-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174813;MM174813;CC=C(C)C(F)CC=O;UFSPRFHVBFLMOI-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174814;MM174814;C=CCC(C)C(C)=NO;RTIKQUWIGQVTRT-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174815;MM174815;C#Cc1noc(=N)n1O;MDHYYYMZCFAKCX-UHFFFAOYSA-N;125.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174816;MM174816;C=CCC(O)C(C)=NO;CZNDUKJYWKXSJJ-UHFFFAOYSA-N;129.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174817;MM174817;CC=C(C)C(C)NC=N;BTVGDRLUYMCEDR-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174818;MM174818;CNC(=NO)NCC=O;GAHSLPQPFPHWKK-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174819;MM174819;CC(NC=N)C(F)=CF;IYPFKIQUEJEFSC-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174820;MM174820;CC(=NO)C(C)NC=O;LLNZJONVPKWEMH-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174821;MM174821;C=COC(C)C(C)=CC;IIFBRVILGSDPSZ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174822;MM174822;CC=C(C)C(C)OC=O;PISSXNCTWDAPTN-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174823;MM174823;C=COC(C)C(C)=CF;YOKDZHFDMUXXFD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174824;MM174824;C=NOC(C)C(C)=CC;PGPSHOQAKOISIW-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174825;MM174825;C=COC(C)C(C)=NO;HXRZAWREYMIBCJ-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174826;MM174826;C=NOC(C)C(C)=NN;HIBGMCGNFQOXMT-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174827;MM174827;C=CCN(C)C(C)=NC;PCARTPYELSXOEE-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174828;MM174828;OC(C=NN1CC1)CF;FLFUFIPFCJTNND-UHFFFAOYSA-N;132.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174829;MM174829;N#CC#Cc1c[nH]cn1;VEZWMFGVOMEMDI-UHFFFAOYSA-N;117.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174830;MM174830;CC(=NO)N(O)CC=O;BXPVKHKJPYXXRC-UHFFFAOYSA-N;132.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174831;MM174831;CC(=NO)N(O)CC#N;CAGIQBOOTWYURE-UHFFFAOYSA-N;129.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174832;MM174832;CN=C(C)N(C)NC=N;DVOMIXFWYJHBST-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174833;MM174833;CN=C(C)N(C)NC=O;JKEYTTDJVIAIJJ-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174834;MM174834;CC(=NO)N(C)NC=O;TZLXNKCSMTZMHW-UHFFFAOYSA-N;131.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174835;MM174835;C#CC(=NN)C(C)(O)C=C;QXQUSRCLBNIMQN-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174836;MM174836;C#CCC(C)C(C)=CC;WKXVJYIYGQOAIY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174837;MM174837;C#CCC(C)C(C)=CF;JZLOXIUCAQYWBF-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174838;MM174838;C#CCC(N)C(C)=CC;RQMMBIZTBHGNAS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174839;MM174839;CC(C)(CO)CNNC=O;KPFVPRQNRIJSNZ-UHFFFAOYSA-N;146.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174840;MM174840;C#CCC(F)C(C)=CF;QQHGOYNMFKAQFO-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174841;MM174841;C#CCC(C)C(C)=NN;YSYLYBIDPSPTGW-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174842;MM174842;C#CCC(C)C(C)=NO;LHRLQUBTDMHMMO-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174843;MM174843;N#CCN1CC(O)(CF)C1;JREGPRAVBMOTRR-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174844;MM174844;C#CCN(C)C(C)=NC;QBBSTVVDMOPSJC-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174845;MM174845;C=C(CCC)C(C)=CC;CAHATEJRQPUMQL-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174846;MM174846;C=C(CCN)C(C)=CC;DTEPCPVHUMASGN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174847;MM174847;C=C(CCF)C(C)=CC;FZTRANNJCNVIGK-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174848;MM174848;C=C(CCC)C(C)=CF;HPCNHCPDLNVWBL-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174849;MM174849;C=C(CCN)C(C)=CF;SMACHOLXMVNBOY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174850;MM174850;CON=c1oc(=N)n(O)o1;NDNPVMAWMSRQJS-UHFFFAOYSA-N;147.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174851;MM174851;C=C(CCF)C(C)=CF;MXODTNNYVBMULZ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174852;MM174852;C=C(CCC)C(F)=CC;JHPCHDLSWMZIJT-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174853;MM174853;C=C(CCN)C(F)=CC;BNKSZSLHIDXTTA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174854;MM174854;C=C(CCN)C(F)=CF;DQEZYUYZPDUNNR-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174855;MM174855;CC=C(C)C(=O)CCC;HVCJAMVKZPYMBK-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174856;MM174856;CC=C(C)C(=O)CCF;OKQRILNMKIIFRA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174857;MM174857;CCCC(=O)C(C)=CN;OHZCULFYJNIWBQ-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174858;MM174858;CCCC(=O)C(C)=CF;SFKHEKJTLKXLOP-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174859;MM174859;CC(=CF)C(=O)CCF;NPFLJPAKQFNHET-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174860;MM174860;CC=C(F)C(=O)CCC;RQRYIEMMTLXCBM-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174861;MM174861;CCCC(=O)C(F)=CF;MFYXCXTTXCPIHG-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174862;MM174862;O=C(CCF)C(F)=CF;HXBRRPPAIAUBOB-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174863;MM174863;C=C(CNC)C(C)=CC;BMOXHFQVGKAPQI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174864;MM174864;C=C(CNC)C(C)=CF;KTUMNEVQCXFGOD-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174865;MM174865;CNCC(=O)C(C)=CF;VUFVNUVYULFXKI-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174866;MM174866;C=C(COC)C(C)=CC;KKBMQLZQIYZLTB-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174867;MM174867;COCC(=O)C(F)=CF;HTUDEGKQFLCFHP-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174868;MM174868;C=C(CCF)C(C)=NN;WVSGBFPXTTWSNB-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174869;MM174869;C#CC1(C)NC1C(F)C=O;LRYIJRQNSVUHOJ-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174870;MM174870;CC=C(C)C(=N)NCC;SSOPFIWFKWSCCM-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174871;MM174871;CNNC(=N)C(C)=CN;VNPXRZBVYIUDQR-UHFFFAOYSA-N;128.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174872;MM174872;CNNC(=N)C(C)=CF;RPFVBOYPNVHKME-UHFFFAOYSA-N;131.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174873;MM174873;O=CN1CC(O)(CO)CN1;FVIVDATYFKTVRR-UHFFFAOYSA-N;146.15;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174874;MM174874;CNC(=O)N=C(NN)OC;KLDUFUUYACOPKO-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174875;MM174875;CC=C(F)C(=O)NNC;ZTPJBJXMLKFAFW-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174876;MM174876;CNNC(=O)C(F)=CN;GIGVHEDFDYCHJS-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174877;MM174877;CC=C(C)C(=N)NOC;BISPILVGBCORSC-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174878;MM174878;Nc1[nH][nH]c(=O)c(=O)c1F;XSYZNENWDBZGMD-UHFFFAOYSA-N;145.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174879;MM174879;CCNC(=O)C(C)=NO;KJWYLAVOHMOXOG-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174880;MM174880;C=CC(=C)C(=O)NNCC;SMDRIFRXSYKTRM-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174881;MM174881;CNNC(=O)C(C)=NO;JKZOJSMBZXAABE-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174882;MM174882;Cc1nc(=O)n(O)cc1O;WOEZUVRVNBWISY-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174883;MM174883;C=C(OCC)C(C)=CC;LDBCMVFRLUBTAQ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174884;MM174884;C=C(OCC)C(C)=CF;ZGCYNNBCXBVUTK-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174885;MM174885;C=C(OCC)C(F)=CC;XUXACQHBZFXVQN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174886;MM174886;CCOC(=O)C(C)=CN;ZUBMZHJPTYYMRG-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174887;MM174887;CCOC(=O)C(C)=CF;SNYQOMVJLLQNCV-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174888;MM174888;CC=C(F)C(=O)OCC;QLHGLYDXAPYODR-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174889;MM174889;CCOC(=O)C(F)=CN;UIGMPFXRDOALRO-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174890;MM174890;CCOC(=O)C(F)=CF;MZPDAJUBVDOZIN-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174891;MM174891;C=C(OCC)C(C)=NN;QNCHDTVJWCMENY-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174892;MM174892;C=C(OCC)C(C)=NO;MOTXORLAXABOGM-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174893;MM174893;C=CCC(=C)C(C)=CC;VIGZXGHZISMLID-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174894;MM174894;C=C(CC=O)C(C)=CC;QLPGHACLNZKEMG-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174895;MM174895;C=C(CC#N)C(C)=CC;BGMUCVCWUNCFBO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174896;MM174896;C=CCC(=C)C(C)=CF;MXMSAAXMMMKESN-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174897;MM174897;C=C(CC#N)C(C)=CF;SYNYNFPAVHLXRE-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174898;MM174898;C=C(CC=O)C(F)=CC;NGIHLVPLAZPKBI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174899;MM174899;C=C(CC=O)C(F)=CF;BLLWOONZKSYTSR-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174900;MM174900;C=CCC(=O)C(C)=CC;PJEOHNLSITUVMP-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174901;MM174901;CC=C(C)C(=O)CC=O;PYHLCOSDNXLEPI-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174902;MM174902;C=CCC(=O)C(C)=CN;UDKJEUMRNIZGQV-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174903;MM174903;C=CCC(=O)C(F)=CC;BZJKCDXVFMWBHY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174904;MM174904;C=CCC(=O)C(F)=CN;BWNYWCNCENPMJD-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174905;MM174905;C=CCC(=O)C(F)=CF;KPNKAYJGLLPJTA-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174906;MM174906;C=NOCC(O)C(C)=NN;QUOWTDZZGJYXBO-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174907;MM174907;C=C(NC=N)C(C)=CC;CZKCQSOWSGMNMC-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174908;MM174908;C=C(NC=O)C(C)=CC;SYOCIFUKRYBNFZ-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174909;MM174909;C=C(NC=O)C(C)=CF;GGDVDUIESXZVIX-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174910;MM174910;C=C(NC=N)C(F)=CF;UJMTUFABPSQJHL-UHFFFAOYSA-N;132.11;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174911;MM174911;C=C(NC=O)C(F)=CF;ZWGRFWFEAIWCAY-UHFFFAOYSA-N;133.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174912;MM174912;C=CNC(=N)C(C)=CC;CZAZHMLHOXYSSN-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174913;MM174913;CC(=CN)C(=N)NC=N;VGOHOYSYKWFUEE-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174914;MM174914;CC=C(F)C(=N)NC=O;HSCMFUNNSXJFDF-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174915;MM174915;N=C(NC=O)C(F)=CN;RGYVVWNKZKGOBG-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174916;MM174916;C=CNC(=O)C(C)=CC;BICKWKIIYFTNDS-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174917;MM174917;N#CCNN=CC(O)CF;QIZWQGKKUKSGOG-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174918;MM174918;C=CNC(=O)C(C)=CN;BHRNIJHWPDTABQ-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174919;MM174919;C=CNC(=O)C(F)=CC;CXHHDJGTHZHHRJ-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174920;MM174920;CC=C(F)C(=O)NC=O;VKQWDSWUUUYPLG-UHFFFAOYSA-N;131.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174921;MM174921;N=CNC(=O)C(F)=CN;FKCMGMABXDVXTI-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174922;MM174922;NC=C(F)C(=O)NC=O;BLLWGHAYVPKBBO-UHFFFAOYSA-N;132.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174923;MM174923;C=CNC(=O)C(F)=CF;ZCICTEGWXXNYLD-UHFFFAOYSA-N;133.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174924;MM174924;NN=CNN=CC(O)CF;UMBHDGQARYTOCX-UHFFFAOYSA-N;148.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174925;MM174925;C=NNC(=O)C(F)=CC;MYIMDKHQJVSJLA-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174926;MM174926;CNN=C(CF)C(O)CO;XODXCBAYKLBTFX-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174927;MM174927;C=CNC(=N)C(C)=NN;MMGRFIQRDNZIBB-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174928;MM174928;CC(=NN)C(=N)NC=O;LUCHSDWUKCOIRA-UHFFFAOYSA-N;128.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174929;MM174929;CCC(CO)CNNC=O;RGNDOBPPWJNAIO-UHFFFAOYSA-N;146.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174930;MM174930;C=CNC(=O)C(C)=NO;BEVDREOJRYUVOL-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174931;MM174931;CC(=NO)C(=O)NC=O;ZQIBZWKFMCFTLI-UHFFFAOYSA-N;130.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174932;MM174932;C#CC1=CNC(=NN=C)C1;VYHWUKGWYWMWOZ-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174933;MM174933;C=NNC(=O)C(C)=NN;GLUGXWOGSCMIJT-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174934;MM174934;C=COC(=C)C(C)=CC;HUNJRDJPJLETKL-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174935;MM174935;C=C(OC=O)C(C)=CC;QXYPPJJECPABMX-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174936;MM174936;C=COC(=C)C(C)=CF;DATYBFIDRPSIOS-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174937;MM174937;C=COC(=C)C(F)=CC;XGIDBWZEQRJMTM-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174938;MM174938;C=COC(=O)C(C)=CC;PSNVGPBGMCIHCM-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174939;MM174939;C=COC(=O)C(C)=CN;YPGYHGCGUQRVPS-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174940;MM174940;C=COC(=O)C(C)=CF;XFHPKZNGXFLEBV-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174941;MM174941;C=COC(=O)C(F)=CC;LNTQFZZOCFOEHT-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174942;MM174942;C=COC(=O)C(F)=CN;GHPZQFIDMZIXRI-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174943;MM174943;C=COC(=O)C(F)=CF;PLSDBBUULQMTSV-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174944;MM174944;C=NOC(=O)C(C)=CC;XPAIUGHGHUWCMJ-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174945;MM174945;C=NOC(=O)C(F)=CC;YKMSFJBNCWROJN-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174946;MM174946;C=NOC(=O)C(F)=CF;AWNSZIWOGGNQEX-UHFFFAOYSA-N;135.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174947;MM174947;C=COC(=C)C(C)=NN;KZWVYUMGJWKLRR-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174948;MM174948;C=C(OC=O)C(C)=NN;BCGNLXWXOHILES-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174949;MM174949;C=COC(=C)C(C)=NO;VZVLEVQCEHQZCN-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174950;MM174950;NN=C1C=NNC1;IFHIAVGGTQYKDP-UHFFFAOYSA-N;98.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174951;MM174951;C#CCC(=C)C(C)=CC;UJGAVZRVXXHYJK-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174952;MM174952;C#CCC(=C)C(C)=CF;XKRAADWDZFKVDG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174953;MM174953;C#CCC(=C)C(F)=CC;QBUCDYJKVJOUKW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174954;MM174954;C#CCC(=O)C(C)=CF;JYXGBFWGNNXQRX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174955;MM174955;C#CCC(=C)C(C)=NN;QBJNLKJTGWYRCF-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174956;MM174956;C#CCC(=C)C(C)=NO;KZZRLRCHYGWNMW-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174957;MM174957;CC=CC(C)C(C)=CC;NCMXQXFRXLRFKO-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174958;MM174958;CC=C(C)C(C)C=CF;CNCSUAIBVGJEFJ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174959;MM174959;CC=CC(C)C(C)=CF;VCJMOYUMFRBLTO-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174960;MM174960;CC(=CF)C(C)C=CF;QCVFEDZEZZFWIV-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174961;MM174961;CC=CC(C)C(F)=CC;LKANXZTUZXZWDC-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174962;MM174962;CC=CC(C)C(F)=CF;JYIWSOOLAZHTJB-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174963;MM174963;CC=CC(N)C(C)=CC;RAMIQLXIZVJEKV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174964;MM174964;CC=C(C)C(N)C=CF;FZQOYZNZTARUJN-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174965;MM174965;CC=CC(N)C(C)=CF;NFOFZWIYKGNRFD-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174966;MM174966;CC(=CF)C(N)C=CF;JZHQNNNZACIRKM-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174967;MM174967;N=C1NC(=NN)CO1;YMBLDJVXZYXPRO-UHFFFAOYSA-N;114.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174968;MM174968;CC=CC(F)C(C)=CC;IXUJCOCCEZOGDK-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174969;MM174969;CC=C(C)C(F)C=CF;QUTCEZHEQLMOQO-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174970;MM174970;CC=C(C)C(C)C=NN;SVVSXEHVHACCMN-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174971;MM174971;CC=C(C)C(C)C=NO;LGMYAOVBFRDMGM-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174972;MM174972;CC(=CF)C(C)C=NO;WGGRLTKOUIPYTO-UHFFFAOYSA-N;131.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174973;MM174973;C=CC(C)NC(=O)NN;GYRPQOAFBWIXPX-UHFFFAOYSA-N;129.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174974;MM174974;NN=CC(O)C(F)=CF;KGKCWGZUOWRRFD-UHFFFAOYSA-N;136.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174975;MM174975;N=c1ncoc(=O)[nH]1;QFCYVKGUCITNMX-UHFFFAOYSA-N;113.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174976;MM174976;CC=CC(C)C(C)=NN;XHEZBLSNWBOTKH-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174977;MM174977;CCC(O)C(O)C=NN;HVNCDXAELZGVDJ-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174978;MM174978;N=c1nnoc(=N)n1O;KMUIKQWMUPQXDG-UHFFFAOYSA-N;129.08;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174979;MM174979;CN=C1COC(=NC)N1;VBQOBWILCNLFAX-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174980;MM174980;CC=C(C)N(C)C=NC;JKLPJFAMDUCNCF-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174981;MM174981;CC(C)(O)CCNNC=O;OUZXWKYJWPQBSX-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174982;MM174982;CC(=CF)N(C)C=NO;LIAMAFISXCZOFW-UHFFFAOYSA-N;132.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174983;MM174983;CC=C(C)N(N)C=NC;WMCCEULPKZEARG-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174984;MM174984;C#CC(=C)C(C)(O)C=NN;KGPFKTXZBRUPCT-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174985;MM174985;COCC(C)CNNC=O;NKIHXMILPWIWML-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174986;MM174986;CN=C(C)N(C)C=CF;HFMCDXNJODPCNI-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174987;MM174987;CC=CN(C)C(C)=NN;WPGGINLJICVGQQ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174988;MM174988;CC=CN(N)C(C)=NC;UGADJVGYFPOKPC-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174989;MM174989;C=C(F)C(O)C=CC=NN;JQHBSDLXFZNVQD-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174990;MM174990;CC(=NO)N(O)C=CF;OHBZQNKWTDXVTO-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174991;MM174991;CN=CN(C)C(C)=NC;MCEILASHOBWYKM-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174992;MM174992;CC(CO)CCC(=O)NN;TTZAYAYIWDWDKG-UHFFFAOYSA-N;146.19;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174993;MM174993;C=CC(O)C(F)=CC=NN;MDSCJFSPVOCMJI-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174994;MM174994;CC(CO)CCNNC=O;ZJIFZAHZBHPGPY-UHFFFAOYSA-N;146.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174995;MM174995;CCC(O)CCNNC=O;QYFDSRUATFZTPB-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174996;MM174996;COCCCCC(=O)NN;ASGHVXFBFWZCDB-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174997;MM174997;CCOCCCC(=O)NN;CWCHDIHNRZZCPM-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174998;MM174998;CC(=NN)N(O)C=NO;RLSYBBQPYDFGQK-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM174999;MM174999;CC(=NO)N(O)C=NN;WHWJRJXDLKDANW-UHFFFAOYSA-N;132.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175000;MM175000;C=C(C=CC)C(C)=CC;WBIQEFDZHXCOBH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175001;MM175001;C=C(C=CF)C(C)=CC;OTHNXIUJGPOUFP-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175002;MM175002;C=C(C=CF)C(C)=CF;WVNLEHHUEOZMDG-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175003;MM175003;C=C(C=CC)C(F)=CC;YAGQHXDRWKDQBQ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175004;MM175004;C=C(C=CC)C(F)=CF;ROHJSGKRZHQNKI-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175005;MM175005;CC=CC(=O)C(C)=CC;AWDIPVATDWHUEJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175006;MM175006;CC=C(C)C(=O)C=CF;FGMLVOIGVYOBGR-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175007;MM175007;CC=CC(=O)C(C)=CN;FMLQBXUEWAQZQN-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175008;MM175008;CC(=CN)C(=O)C=CN;PSWYMQDFYSGCQV-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175009;MM175009;CC=CC(=O)C(C)=CF;RUYOWESFXOOBNM-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175010;MM175010;CC(=CF)C(=O)C=CF;BPHZOOOBEWJLHZ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175011;MM175011;CC=CC(=O)C(F)=CN;RUAPBRWVFZTIDF-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175012;MM175012;NC=CC(=O)C(F)=CN;WQSLCOJOKMDELW-UHFFFAOYSA-N;130.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175013;MM175013;CC=CC(=O)C(F)=CF;BFZMCWDGYUQCDW-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175014;MM175014;NC=CC(=O)C(F)=CF;UBVRZWNFGDGJJJ-UHFFFAOYSA-N;133.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175015;MM175015;C=C(C=NN)C(C)=CC;RKIISXHALSJSNX-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175016;MM175016;COCC(=NN)C(O)CO;PCSZWVQEQVIFAI-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175017;MM175017;C=C(C=NN)C(C)=CF;VOVPSEWUCURVHP-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175018;MM175018;C=C(C=NO)C(C)=CF;AKDNVNVSIPKZKD-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175019;MM175019;C=C(C=CC)C(C)=NN;KALMJFPMZWSJKL-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175020;MM175020;CN(C)C(C#N)C(O)CO;XEVYLWXNFOARBY-UHFFFAOYSA-N;144.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175021;MM175021;C=C(C=CF)C(C)=NO;ILGSCZCDXKQKKX-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175022;MM175022;C=C(C=NO)C(C)=NN;PXMVHCZBTTYDAY-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175023;MM175023;CC#CC(C)C(C)=CC;YXCJOWFUMGABQY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175024;MM175024;CC#CC(C)C(C)=CF;ALAISKFIASDDNY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175025;MM175025;CC#CC(C)C(F)=CC;KGLMTXXJSWKPRW-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175026;MM175026;CC#CC(N)C(C)=CC;YNUQTFOEVXUPEO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175027;MM175027;CC#CC(N)C(C)=CF;QIDDIMJGNBICOZ-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175028;MM175028;CC#CC(O)C(C)=CC;HEKSXXAEZJGRJU-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175029;MM175029;CC#CC(O)C(F)=CF;XQWKPKFCYIJPAL-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175030;MM175030;CC#CC(F)C(C)=CC;BUBFYXHEBWMERH-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175031;MM175031;CC#CC(F)C(F)=CC;HVORURZHGQPQEH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175032;MM175032;CC#CC(F)C(F)=CF;YATNKGGEMNHEPU-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175033;MM175033;CC#CC(C)C(C)=NN;SUOUPRYSHVIJDO-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175034;MM175034;CC#CC(C)C(C)=NO;WHDYPTWURJLBMB-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175035;MM175035;Cc1c(F)c(N)n(O)c1N;KIZRUYQVDBJXOX-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175036;MM175036;Cc1oc(F)c(O)c1N;ALFUKAZFNHFAAR-UHFFFAOYSA-N;131.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175037;MM175037;C=C(C#CC)C(C)=CC;MPYUWMIMHXACIB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175038;MM175038;C=C(C#CC)C(C)=CF;JNXKRIRTYSVFDZ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175039;MM175039;C=C(C#CC)C(F)=CC;VKJGDYYTWIHYFR-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175040;MM175040;CC#CC(=O)C(C)=CC;YBPNFIOJCLVDCY-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175041;MM175041;CC#CC(=O)C(C)=CN;UCIWIWOGJXJBCE-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175042;MM175042;CC#CC(=O)C(F)=CC;HFTLPBVOEVSZPE-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175043;MM175043;CC#CC(=O)C(F)=CF;QMUBMPOXBGQBAW-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175044;MM175044;C=C(C#CC)C(C)=NN;OTEKYMHDWBCSRI-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175045;MM175045;C=C(C#CC)C(C)=NO;ZDTZTSLJTWKFAV-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175046;MM175046;CCC=C(C)C(C)CC;YYFILNOSRVMHDJ-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175047;MM175047;CCC(C)C(C)=CCN;VAFOBQBTAXOEAA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175048;MM175048;CCC(C)C(C)=CCO;UYEFSBUXUVGHEQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175049;MM175049;CCC(C)C(C)=CCF;ZRXRALJPYAGINQ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175050;MM175050;CCC=C(C)C(C)CN;WRESXHQJUHPDKM-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175051;MM175051;CC(=CCO)C(C)CN;NDMQPWQIFAWVDN-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175052;MM175052;CC(=CCF)C(C)CN;KKHIMHKHFSGEHJ-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175053;MM175053;C=Cc1nc(O)n(C)c1C;SQZPVJUMSACRRW-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175054;MM175054;CC(=CCO)C(C)CO;KHYFJLXLVHVEFG-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175055;MM175055;CCC=C(C)C(C)CF;MMPUAJMYTSUKNP-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175056;MM175056;CC(=CCN)C(C)CF;DASTWERVQHKOSN-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175057;MM175057;CCC=C(C)C(N)CC;UPASKKPBABAOSI-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175058;MM175058;CCC(N)C(C)=CCO;RSBKLPOGBNIRBB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175059;MM175059;CC(=CCN)C(N)CN;JJPMVYKGKGRBLV-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175060;MM175060;CC(=CCO)C(N)CN;FBLCUPZMWDDOHK-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175061;MM175061;CCC=C(C)C(N)CO;QLYBCPYFSZKRLS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175062;MM175062;CC(=CCN)C(N)CO;RNTKWBPTZMFANK-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175063;MM175063;CC(=CCO)C(N)CO;JIWBMAYNAQEWRP-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175064;MM175064;CCC=C(C)C(N)CF;ABPLAUQJFQEWJJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175065;MM175065;CC1=NN(C=N)C2CC12O;CXEVWRXGDWWDLD-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175066;MM175066;CCC(O)C(C)=CCN;ZREVRVFVQPNVDG-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175067;MM175067;CCC(O)C(C)=CCO;JUERIEHETUZKHS-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175068;MM175068;CCC(O)C(C)=CCF;GOSAWPRCZWACFG-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175069;MM175069;CCC=C(C)C(O)CN;MOIFCKIUTAAQAD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175070;MM175070;CC(=CCN)C(O)CN;JLAMBWGBUKVXGP-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175071;MM175071;CCC=C(C)C(O)CO;DTNYPVJWEJFYAA-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175072;MM175072;CC(=CCN)C(O)CO;QBYDUVQTRNVGDN-UHFFFAOYSA-N;131.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175073;MM175073;CC(=CCO)C(O)CO;WEFOTMBOYOTKTQ-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175074;MM175074;CC(=CCF)C(O)CF;RLZHWZYJBUELBB-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175075;MM175075;CCC=C(C)C(F)CC;FBXUMXHVCVRLQI-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175076;MM175076;CCC(F)C(C)=CCN;DEHZKWJZCDCBNW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175077;MM175077;CCC(F)C(C)=CCO;ZTVBVISGCAWMSX-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175078;MM175078;CCC(F)C(C)=CCF;OBDNCTHGTUMXEY-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175079;MM175079;CCC=C(C)C(F)CN;SHPGTDXLYAZGBU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175080;MM175080;CC(=CCN)C(F)CN;GOPSYEWQWIZTTG-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175081;MM175081;CC(=CCF)C(F)CN;SMVUOBYNDLZHIU-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175082;MM175082;CCC=C(C)C(F)CO;JVDICDPZKQESIO-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175083;MM175083;CCC=C(C)C(F)CF;NBEBCAYDFCTCIL-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175084;MM175084;CC(=CCN)C(F)CF;IQIATRVFGIGKOH-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175085;MM175085;CC(=CCO)C(F)CF;MRNVDSWJVJWJLP-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175086;MM175086;CC(=CCF)C(F)CF;SXLAFAHOKWYNLW-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175087;MM175087;CCC=C(F)C(C)CC;BNMBACNGDQOWPM-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175088;MM175088;CCC(C)C(F)=CCN;GODUTQKMPZAAKO-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175089;MM175089;CCC(C)C(F)=CCO;IGZLUMWAEKKNNJ-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175090;MM175090;CCC=C(F)C(C)CN;SRRMLXYQVVONQR-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175091;MM175091;CC(CN)C(F)=CCN;HAGTYSDDMHGZGA-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175092;MM175092;CC(CN)C(F)=CCF;AMLWEMLVLZCQPQ-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175093;MM175093;CCC=C(F)C(C)CO;XXVKUKORDYYJIG-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175094;MM175094;CCC=C(F)C(C)CF;QFBPOJKWNWRIEH-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175095;MM175095;CCC=C(F)C(N)CC;WHRKKBMVYQXJLV-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175096;MM175096;CCC(N)C(F)=CCF;ITHUDQRCKREMRD-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175097;MM175097;NCC(N)C(F)=CCO;PGOBHAYLEZGTFB-UHFFFAOYSA-N;134.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175098;MM175098;CCC=C(F)C(O)CC;BTWBNWGPQOLPTN-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175099;MM175099;NCC(O)C(F)=CCO;PEYXYDYGTPXQOA-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175100;MM175100;NCC(O)C(F)=CCF;SBVILWXZIJEGQZ-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175101;MM175101;CCC=C(F)C(O)CO;GIDMHSANKWOLHG-UHFFFAOYSA-N;134.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175102;MM175102;OCC=C(F)C(O)CO;HVYXDZFYMGGGOI-UHFFFAOYSA-N;136.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175103;MM175103;NCC=C(F)C(O)CF;JLXDWLJNVYFHJJ-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175104;MM175104;OCC=C(F)C(O)CF;LRQNYXNXJDDIHI-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175105;MM175105;CCC=C(F)C(F)CC;KRHVQDWZIQNIER-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175106;MM175106;CCC=C(F)C(F)CN;XPYAKBVXAFEFBJ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175107;MM175107;NCC=C(F)C(F)CN;DSGBHAWJGZSASL-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175108;MM175108;NCC(F)C(F)=CCO;AFUYXNYSKUIAQJ-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175109;MM175109;NCC(F)C(F)=CCF;AKGOMMLHXVBVFT-UHFFFAOYSA-N;139.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175110;MM175110;CCC=C(F)C(F)CO;DTJUURWHEGTXBZ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175111;MM175111;NCC=C(F)C(F)CO;OROIWPAQKSXXGJ-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175112;MM175112;OCC=C(F)C(F)CO;ODQOKIGGCZDQCQ-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175113;MM175113;OCC(F)C(F)=CCF;MIVSODOGTNJKFF-UHFFFAOYSA-N;140.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175114;MM175114;COC=C(C)C(C)CN;RUFCMWNKLQNEJS-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175115;MM175115;COC=C(C)C(C)CO;FFIZRPNEFNVKSI-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175116;MM175116;CCC(N)C(C)=COC;JMKJJYWVGKRLGE-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175117;MM175117;COC=C(C)C(N)CN;IYOFNESBNABFQE-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175118;MM175118;COC=C(C)C(N)CO;GAAGOUPYRCOIGW-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175119;MM175119;CCC(O)C(C)=COC;YLZPURQUGGGWHS-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175120;MM175120;COC=C(C)C(O)CO;UJSQQHBMGDDGKR-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175121;MM175121;COC=C(C)C(F)CO;WVASDBAUFLPEHE-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175122;MM175122;COC=C(F)C(C)CO;ZIJBJFCNJDFPKO-UHFFFAOYSA-N;134.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175123;MM175123;COC=C(F)C(N)CN;SZWOJUYGDLYJLJ-UHFFFAOYSA-N;134.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175124;MM175124;CCC(O)C(F)=COC;HFXAVKKHICOMOZ-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175125;MM175125;COC=C(F)C(O)CN;NPPZYBFYNXQWDL-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175126;MM175126;CCC=C(C)C(C)NC;MDCMUNUZFAUYJI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175127;MM175127;CNC(C)C(C)=CCF;PZQUCNSSNZGTGW-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175128;MM175128;CCC=C(C)C(C)OC;PVZUKVRTMMUQKH-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175129;MM175129;COC(C)C(C)=CCN;UXBSJCUQVPBPPY-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175130;MM175130;CCC=C(F)C(C)OC;VNIYHUZTEHFNHK-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175131;MM175131;COC=C(C)C(C)OC;ULBPOFIXBJFKMV-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175132;MM175132;COC=C(F)C(C)OC;ZITJCQZPXYPAMV-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175133;MM175133;C#CC1=CC(C=NN)=CC1;SLOFCFRBWDROQQ-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175134;MM175134;CNN=C(C)C(N)CN;BPXMNXLWFUXSGM-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175135;MM175135;CNN=C(C)C(O)CN;XNESWIQWMFIAJV-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175136;MM175136;NN=CC1=CC(CF)C=C1;RAMWIXQYRIHYLI-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175137;MM175137;CNN=C(C)C(F)CN;DECOAUKCANLTCY-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175138;MM175138;CN=c1onnc(=N)n1O;SZOACHZKDBVAJG-UHFFFAOYSA-N;143.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175139;MM175139;CCC(C)C(C)=NOC;RSFMBGWJZBVQRU-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175140;MM175140;CN=c1nnoc(=N)n1O;CYXNHORXSPTNOP-UHFFFAOYSA-N;143.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175141;MM175141;CON=C(C)C(C)CF;QRFBNCSOTXNCSD-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175142;MM175142;CCC(N)C(C)=NOC;RVQBWVCPMLCYPJ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175143;MM175143;CON=C(C)C(N)CN;RTNQERXUJZGKRR-UHFFFAOYSA-N;131.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175144;MM175144;CON=C(C)C(N)CO;CDKXGXYINAKCGN-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175145;MM175145;O=CNNCCCCCO;UHGHNYIWXQTHGW-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175146;MM175146;CON=C(C)C(O)CN;QGXSVPDKBUMKLG-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175147;MM175147;CCOCCCNNC=O;FZJXCQIMGGOYOF-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175148;MM175148;CON=C(C)C(F)CF;QENHDNCAEHICEF-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175149;MM175149;CNN=C(C)C(C)OC;YURLANGNRZICFD-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175150;MM175150;CON=C(C)C(C)OC;AQOYUTGTCLBYJC-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175151;MM175151;CCN=C(C)N(C)CC;HPXOVAZBIUNVQA-UHFFFAOYSA-N;128.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175152;MM175152;CCN=C(C)N(N)CC;JWOICDCOCQCIOF-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175153;MM175153;CCN=C(C)N(O)CC;ZXEJMGACEZZFHY-UHFFFAOYSA-N;130.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175154;MM175154;CCN(C)C(C)=NNC;BWPRZEVVDXTAHL-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175155;MM175155;CCN(N)C(C)=NOC;PHQFMFZXJVPDGL-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175156;MM175156;CCN=C(C)N(C)OC;KVYGGRDBMQFKKF-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175157;MM175157;C=CC=C(C)C(C)CC;FXGWPCPNFQHCFJ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175158;MM175158;CCC(C)C(C)=CC=O;KIELOIAQKMNQRV-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175159;MM175159;CCC(C)C(C)=CC#N;ZTZAVQWICUSYNN-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175160;MM175160;C=CC=C(C)C(C)CN;JSKRZTOSRINZTO-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175161;MM175161;NC=CC(=O)NN;SOSLMVOYYKQUHL-UHFFFAOYSA-N;101.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175162;MM175162;CNC(N)=CC(=O)NN;PWSDKSHKBXQASN-UHFFFAOYSA-N;130.15;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175163;MM175163;CC=CCC(=O)NNC;ISOGBCDCSGXOHH-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175164;MM175164;C=CC=C(C)C(C)CF;SMCBOUROSNMNQF-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175165;MM175165;CC(=CC=O)C(C)CF;IHBPZFMLJYRPEP-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175166;MM175166;CC(=CC#N)C(C)CF;KGXKHEHXLIAKNT-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175167;MM175167;C=CC=C(C)C(N)CF;FIQGUCZGZNAILG-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175168;MM175168;CNC=CC(=O)NNC;OXJUVBFYUFNYNC-UHFFFAOYSA-N;129.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175169;MM175169;CCC(O)C(C)=CC=O;ZTOZGSNUDAYEOC-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175170;MM175170;CCC(O)C(C)=CC#N;MGEUVVAIAZWATC-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175171;MM175171;C=CC=C(C)C(O)CN;UEHNADBTZNSLKZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175172;MM175172;C=CC=C(C)C(O)CO;PYOAEOMSTGYZBN-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175173;MM175173;CC(=CC#N)C(O)CO;XSKHONDBMYPDCH-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175174;MM175174;C=CC=C(C)C(O)CF;FGADSISSGMBTFP-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175175;MM175175;C=CC=C(C)C(F)CC;SYQGONQHMAJXIY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175176;MM175176;CCC(F)C(C)=CC=O;YHIKXOPAQGKDFL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175177;MM175177;C=CC=C(C)C(F)CN;YHBPBXCBCGQUOL-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175178;MM175178;C=CC=C(C)C(F)CO;HDYJWMSZLMNPAA-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175179;MM175179;CCC(C)C(N)=CC=O;CIXCGIFJFOEMER-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175180;MM175180;CCC(C)C(N)=CC#N;ZXKSDFGHWWBJQY-UHFFFAOYSA-N;124.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175181;MM175181;CC(CO)C(N)=CC=O;NDMFIOBVKWCEMT-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175182;MM175182;CC(CF)C(N)=CC#N;COEHPXSXPUNNLG-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175183;MM175183;NC(=CC=O)C(O)CO;SZTSAGJUFMGXON-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175184;MM175184;C=CCNNC(=O)C=C;DCKRHILYHUUQPO-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175185;MM175185;C=CC=C(F)C(C)CC;YLJMSPNWPGLRIQ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175186;MM175186;CCC(C)C(F)=CC=O;BCUDNHAGBZUASK-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175187;MM175187;CCC(C)C(F)=CC#N;CRIAGDLOSYEBRF-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175188;MM175188;C=CC=C(F)C(C)CN;DIPZFIWGWSOECL-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175189;MM175189;C=CC=C(F)C(C)CO;JMTBIXVAIDRIAE-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175190;MM175190;CC(CO)C(F)=CC#N;GOEITVCWQAUWAZ-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175191;MM175191;C=CC=C(F)C(C)CF;NKWLDQVPBHDGAS-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175192;MM175192;CC(CF)C(F)=CC#N;QKFTZMSGBCQIMU-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175193;MM175193;C=CC=C(F)C(N)CC;LSHQPVKHZSPHOS-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175194;MM175194;CCC(O)C(F)=CC#N;VEZAYIQZJXUOEP-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175195;MM175195;C=CC=C(F)C(O)CN;YLDMEIISHPYMJW-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175196;MM175196;C=CC=C(F)C(O)CO;WBLUWLKTUALLMY-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175197;MM175197;O=CC=C(F)C(O)CF;WPBCAYZCADNAGQ-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175198;MM175198;C=CC=C(F)C(F)CC;YAQYDMUVTFRIDQ-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175199;MM175199;CCC(F)C(F)=CC=O;ONMIXBAQGUQITE-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175200;MM175200;CCC(F)C(F)=CC#N;LHWYXGADASLFAT-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175201;MM175201;C=CC=C(F)C(F)CN;SXWPPHKUUJWEOR-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175202;MM175202;C=CC=C(F)C(F)CO;LRDIGWOVJKCZKR-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175203;MM175203;O=CC=C(F)C(F)CO;QBDIBOWTLPILNU-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175204;MM175204;C=CC=C(C)C(C)NC;BWNVVSCELDYBEP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175205;MM175205;CNC(C)C(C)=CC=O;DMQIAGOKPXHQFX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175206;MM175206;CNC(C)C(C)=CC#N;AVCKXPHFNBDJJD-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175207;MM175207;CNC(C)C(N)=CC=O;IGEXQRKCTRBNAS-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175208;MM175208;C=CC=C(C)C(C)OC;QGGIWGSWDJBYMG-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175209;MM175209;COC(C)C(C)=CC=O;WDMQBFIKNBPAJZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175210;MM175210;COC(C)C(C)=CC#N;DWPPERWWQOUJHU-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175211;MM175211;C=CC=C(F)C(C)OC;GKIPGYWOKYFYLM-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175212;MM175212;C=NN=C(C)C(C)CC;OWELBARPAZVMKR-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175213;MM175213;C=NN=C(C)C(C)CN;ALDHEPCSAJJDBB-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175214;MM175214;C=NN=C(C)C(N)CC;QERPYEPEXRMTPZ-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175215;MM175215;C=NN=C(C)C(N)CN;WDKCWBXCUJNSTL-UHFFFAOYSA-N;128.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175216;MM175216;C=NN=C(C)C(O)CC;FPRHUHPCPQIYPY-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175217;MM175217;C=NN=C(C)C(O)CN;IELKICXBDJPNNC-UHFFFAOYSA-N;129.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175218;MM175218;C=NN=C(C)C(O)CO;ZYTVXHMEIMBEAE-UHFFFAOYSA-N;130.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175219;MM175219;C=NN=C(C)C(O)CF;WTMLBQHBLZCKNM-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175220;MM175220;C=NN=C(C)C(F)CO;HNQXNTVZGSSOOF-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175221;MM175221;C=NN=C(C)C(F)CF;QBLXIPQODXAEJN-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175222;MM175222;C=NN=C(C)C(C)OC;OMGUZPYSFJTGGG-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175223;MM175223;CCN(C)C(C)=CC=O;YBQPSPQVBUWKPY-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175224;MM175224;CCN(C)C(C)=CC#N;DKQJPAXNDMUVLE-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175225;MM175225;CCN(C)C(N)=CC=O;PRYZPZGCNAAWPV-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175226;MM175226;CCN(C)C(N)=CC#N;VTUJMRWECXPRPY-UHFFFAOYSA-N;125.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175227;MM175227;CCN(C)C(C)=NC=O;FAEILIDMMTVYDL-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175228;MM175228;C=NN=C(C)N(C)CC;AYJVRXXELUIFNX-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175229;MM175229;C=NN=C(C)N(N)CC;JLYKGUOWYHAQES-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175230;MM175230;CON=C(C)C(O)CO;PEEYKQXFNTXQMU-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175231;MM175231;C=NN=C(C)N(C)OC;IGTYKYDIEBYVFR-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175232;MM175232;C#CC=C(C)C(C)CC;FPBJVBPEKRAEAH-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175233;MM175233;C#CC=C(C)C(C)CN;HGRLCMAZGKKJLG-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175234;MM175234;Cc1c(N)[nH]c(F)c1F;YDISUEZBKHNEOF-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175235;MM175235;C#CC=C(C)C(C)CF;BUBUFEACTSJHTF-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175236;MM175236;C#CC=C(C)C(N)CC;TUKQRQAAFLZLSG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175237;MM175237;C#CC=C(C)C(N)CN;FQJBOODDZMQKSF-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175238;MM175238;C#CC=C(C)C(N)CF;RJCJSXRYNMOYPI-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175239;MM175239;C=COc1c[nH]c(C)n1;JIYAUVVUGVQRTJ-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175240;MM175240;C#CC=C(C)C(O)CN;IGWVUPGKRDZRTG-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175241;MM175241;C#CC=C(C)C(F)CC;YFDKIFMAJSHQDB-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175242;MM175242;C#CC=C(F)C(C)CC;GYYSGBVWVCFIMG-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175243;MM175243;C#CC=C(F)C(C)CN;FOELNZXFWBVICL-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175244;MM175244;C#CC=C(F)C(C)CF;VHRPCLSDOSBFSC-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175245;MM175245;C#CC=C(F)C(N)CC;FLGVZGGYGFXGFT-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175246;MM175246;C#CC=C(F)C(N)CN;OJLAKCMQWLSHHJ-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175247;MM175247;C#CC=C(F)C(O)CC;ROVCWFLXYHSXMT-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175248;MM175248;C#CC=C(F)C(O)CO;KTXBDHZRDKIGBY-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175249;MM175249;C#CC=C(F)C(F)CC;KXOPRAOXXJOHMI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175250;MM175250;C#CC=C(F)C(F)CN;RSRQPUBGTOSKKY-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175251;MM175251;C#CC=C(F)C(F)CO;ROSVGXGAAZTSKT-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175252;MM175252;C#CC=C(C)C(C)NC;WDVWNPHDIQKTSC-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175253;MM175253;C#CC=C(C)C(C)OC;QVEIUBJNYPBEDJ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175254;MM175254;C#CC=C(F)C(C)OC;MWNDAVSURFBKMK-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175255;MM175255;C=CC(C)C(C)=CCC;IQMXSXQLLQWUQL-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175256;MM175256;C=CC(C)C(C)=CCN;RERCTDWUGFHNNS-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175257;MM175257;CCC=C(C)C(C)C=O;AJOSBZNTAZGQKB-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175258;MM175258;CCC=C(C)C(C)C#N;QVPNMGKGNRAURD-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175259;MM175259;CC(=CCO)C(C)C#N;PMUFTVXDNZZPAK-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175260;MM175260;CC(=CCF)C(C)C=O;HGBVOEHUGXQJIQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175261;MM175261;CC(=CCF)C(C)C#N;QPJHUJZNHJUMPF-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175262;MM175262;C=CC(N)C(C)=CCC;XJQQEONFKPBEHT-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175263;MM175263;C=CC(N)C(C)=CCF;NVIZKLAGOUVFTB-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175264;MM175264;C=COc1c[nH]c(N)n1;FELROFZCCVYNJC-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175265;MM175265;CCC=C(C)C(O)C=O;ISYBXTIISKYBSV-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175266;MM175266;CCC=C(C)C(O)C#N;HGMIGIKSXHEIFA-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175267;MM175267;C=CC(F)C(C)=CCC;ITMFKYSILOPMRY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175268;MM175268;C=CC(F)C(C)=CCN;KEHZWNZDWDKZIH-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175269;MM175269;C=CC(F)C(C)=CCO;CVNLTFVOLZXPMZ-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175270;MM175270;CCC=C(C)C(F)C=O;SHBQFGZJKDTVPH-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175271;MM175271;CCC=C(C)C(F)C#N;JKTRIWFQBVSLDT-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175272;MM175272;CC(=CCF)C(F)C=O;LFZZDBKBWQKWRK-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175273;MM175273;C=CC(C)C(F)=CCC;HSWFZXRFMXITSQ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175274;MM175274;C=CC(C)C(F)=CCN;NDJJKOMXUFELKC-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175275;MM175275;CCC=C(F)C(C)C#N;LILCZJAGWHJVOU-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175276;MM175276;CC(C=O)C(F)=CCF;IVHUKQMKIDMJJB-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175277;MM175277;C=CC(O)C(F)=CCC;FNYLLNSCICPJFZ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175278;MM175278;C=CC(O)C(F)=CCF;HOGDOIWFGNPWTC-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175279;MM175279;CCC=C(F)C(O)C#N;CWOAZGAJRRQEQM-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175280;MM175280;O=CC(O)C(F)=CCF;KWNIFCCPAHCBTR-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175281;MM175281;N#CC(O)C(F)=CCF;CFEDSZZSRUZVFC-UHFFFAOYSA-N;133.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175282;MM175282;C=CC(F)C(F)=CCC;RFPROYDLRYPLNH-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175283;MM175283;C=CC(F)C(F)=CCF;WPODRQQQZGRDFU-UHFFFAOYSA-N;136.12;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175284;MM175284;C=CC(C)C(C)=COC;XODWAJYTXMRIKO-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175285;MM175285;COC=C(C)C(C)C=O;YBRMHGFCCUAKOF-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175286;MM175286;C=CC(N)C(C)=COC;XRRRINQVHOZJRG-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175287;MM175287;C=CC(F)C(C)=COC;ZEWUVEUMBHUMSG-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175288;MM175288;COC=C(C)C(F)C=O;HTHJHEXOQFMOOZ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175289;MM175289;C=CC(O)C(F)=COC;RPLWQWAASRVZHI-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175290;MM175290;COC=C(F)C(O)C=O;SQMMENZOQBMFEG-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175291;MM175291;C=CC(F)C(F)=COC;OIIMWXAKBZAEEX-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175292;MM175292;COC=C(F)C(F)C#N;ZKFFHYPUNAHKDS-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175293;MM175293;C=CC(C)C(C)=NNC;SNFOTEOZLIIBDY-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175294;MM175294;C=CC(C)C(C)=NOC;ASWFIGUBGUWCBX-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175295;MM175295;N=c1nnon(O)c1=N;RCEDTTTXGNEQAZ-UHFFFAOYSA-N;129.08;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175296;MM175296;C=CC(N)C(C)=NOC;PQBBLDVQIBJOLB-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175297;MM175297;CNC(C#N)C(O)CO;VPVHDKJZQHWCEP-UHFFFAOYSA-N;130.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175298;MM175298;N#CC(=CN)C(O)CO;LREDYLZPUBXAJV-UHFFFAOYSA-N;128.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175299;MM175299;CCC=C(C)N(C)C=N;MJYZSWGXVAOUKJ-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175300;MM175300;CC(=CCN)N(C)C=N;GNNWXNVWHYAAQO-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175301;MM175301;CC(=CCO)N(C)C=N;LPCKOFHLRCVZGH-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175302;MM175302;CCC=C(C)N(C)C=O;KBHFGRCMERLPGT-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175303;MM175303;CC(=CCO)N(C)C=O;IVWFIIOUWFMMNR-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175304;MM175304;CCC=C(C)N(N)C=N;BJLYWCONEJKGHO-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175305;MM175305;CC(=CCO)N(N)C=N;YETZQJUDBAUZAX-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175306;MM175306;CCC=C(C)N(N)C=O;KRAPINSUWLYVQU-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175307;MM175307;C=CC(C=C)NNC=O;NAOOHXPAQHAZPG-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175308;MM175308;CCC=C(C)N(O)C=N;CDVLLCUXFHSLDR-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175309;MM175309;CC(=CCN)N(O)C=N;LKSUIPPHLNRIOC-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175310;MM175310;CCC=C(C)N(O)C=O;UOURYVSRSOXSJB-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175311;MM175311;COC=C(C)N(N)C=N;NWMDRNLOSFIGGV-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175312;MM175312;C=CN(C)C(C)=NCC;JZBUCHZWXALFIZ-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175313;MM175313;CCN=C(C)N(C)C=N;VEWMCKXTVMEWES-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175314;MM175314;CCN=C(C)N(N)C=O;BOUQEODKEXJCCR-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175315;MM175315;C=CN(O)C(C)=NCC;JQYMIYGQRVNSQZ-UHFFFAOYSA-N;128.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175316;MM175316;C#Cc1nc(CC)c[nH]1;FXQLQXPWWMIFPP-UHFFFAOYSA-N;120.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175317;MM175317;C=CN(N)C(C)=NOC;KAVNGVNWRNFAHU-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175318;MM175318;CON=C(C)N(N)C=O;DSQZXXWSJAICGS-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175319;MM175319;CC(=O)NN(C)CC(C)C;CBARGZLSKKVMIV-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175320;MM175320;C=NN(C)C(C)=NCC;GVUGSOJCEMHZPW-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175321;MM175321;C=CC=C(C)C(C)C=C;RMEAIMBDZKXUPZ-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175322;MM175322;C=CC(C)C(C)=CC=O;SJMBUGWLMKNMNR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175323;MM175323;C=CC(C)C(C)=CC#N;PLVYMEMQPSTNSE-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175324;MM175324;C=CC=C(C)C(C)C=O;SZHGTOVBUGRYKF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175325;MM175325;C=CC=C(C)C(C)C#N;OLSYGWJSFBUBTB-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175326;MM175326;CC(=CC=O)C(C)C=O;HNZKHEZPIORAQO-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175327;MM175327;CC(=CC#N)C(C)C=O;QFIJSJWRRIRUBE-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175328;MM175328;CC(=CC#N)C(C)C#N;DXVDXEIRXLJSNC-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175329;MM175329;C=CC=C(C)C(N)C=C;COEUXHUSMMPKQK-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175330;MM175330;CCCCN(C)NC(C)=O;ITCOOHBRHWYVIK-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175331;MM175331;C=CC(O)C(C)=CC=O;LYKMQJBEODXFRT-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175332;MM175332;C=CC(O)C(C)=CC#N;CPLQRFWJDCLFTR-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175333;MM175333;C=CC=C(C)C(O)C#N;PQSHKAVXIPQMQX-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175334;MM175334;CC(=CC#N)C(O)C=O;JDHJHIWRKLZBND-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175335;MM175335;CC(=CC#N)C(O)C#N;XXXUZLLSDFPAFV-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175336;MM175336;C=CC=C(C)C(F)C=C;YQZNNWTVSWBATI-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175337;MM175337;C=CC(F)C(C)=CC#N;IQUGVYIBNYNIEF-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175338;MM175338;C=CC=C(C)C(F)C=O;XBZGAFBWGNXRHE-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175339;MM175339;C=CC=C(C)C(F)C#N;AJBHMAYVRUGVTK-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175340;MM175340;CC(=CC=O)C(F)C#N;MVAIQKGPRWYOHU-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175341;MM175341;C=CC(C)C(N)=CC=O;CBQVFLLOFQOGOD-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175342;MM175342;C=CC=C(F)C(C)C=C;INIWDKXPMNRZFS-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175343;MM175343;C=CC(C)C(F)=CC=O;KHIBKFDLDYIDRR-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175344;MM175344;C=CC(C)C(F)=CC#N;KEMNWPRIQIHRTO-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175345;MM175345;C=CC=C(F)C(C)C=O;MOZMHFNQJSWMEY-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175346;MM175346;C=CC=C(F)C(C)C#N;KHKCFLUJKSTZKB-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175347;MM175347;CC(C#N)C(F)=CC=O;XRMGWHSYWXUVPJ-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175348;MM175348;CC(C=O)C(F)=CC#N;YDDMGLDUAITTQB-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175349;MM175349;C=CC=C(F)C(O)C=C;YGJWUMJPIHZMJB-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175350;MM175350;C=CC(O)C(F)=CC#N;CQXVEICOIRWJGO-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175351;MM175351;C=CC=C(F)C(O)C=O;QBFAVOXCEKCRCU-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175352;MM175352;C=CC=C(F)C(O)C#N;JAPJNZCUYOUISU-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175353;MM175353;C=CC=C(F)C(F)C=C;IYZVJDMJGKTQTD-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175354;MM175354;C=CC(F)C(F)=CC=O;WMBBCSVETBMPRY-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175355;MM175355;CCCCC(=O)NN(C)C;YBGCMKJUICJHFV-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175356;MM175356;C=NN=C(C)C(C)C#N;UYGBGGMNQWDJAK-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175357;MM175357;CC(=CC(=O)NN)C(C)O;FOAVHTHKWRESCN-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175358;MM175358;C=NN=C(C)C(F)C#N;XCFOEFGCDPJUCV-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175359;MM175359;C=CC=C(C)N(C)C=N;NYFMWHPMRKRLIV-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175360;MM175360;C=CC=C(C)N(C)C=O;KSKVRMSFEPRJNR-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175361;MM175361;CC(=CC=O)N(C)C=O;ZJWBLOGYXFTQAT-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175362;MM175362;N=CN(O)C(N)=CC=O;RNWLJTDZPVTCGQ-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175363;MM175363;NC(=CC=O)N(O)C=O;HIOPSMVVJNLLIQ-UHFFFAOYSA-N;130.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175364;MM175364;C=NN(C)C(C)=CC=O;XQVFLJCJBISSEY-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175365;MM175365;C=NN(C)C(C)=CC#N;BKYLBFXXPCOVEN-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175366;MM175366;CC(=NC=O)N(C)C=O;BHNYTWDAPIACSA-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175367;MM175367;CC(=NC=N)N(N)C=O;NKGYVJOYSPERGP-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175368;MM175368;CC(=NC=O)N(N)C=O;BQOLWWFKQAHXDU-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175369;MM175369;C=CN(C)C(C)=NN=C;VJWDGCHRYYSVSE-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175370;MM175370;C=CN(N)C(C)=NN=C;ZMCPIWLRGBNETH-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175371;MM175371;C=NOC(=O)NCC(C)F;UEUBYUPXEUSYGZ-UHFFFAOYSA-N;148.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175372;MM175372;C=NN(C)C(C)=NC=N;BQCDRCDZVDLIJV-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175373;MM175373;C=NN(C)C(C)=NC=O;DIEZVAQMEUHPNM-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175374;MM175374;C=NN=C(C)N(C)N=C;WXNUCSWHPSLPLS-UHFFFAOYSA-N;126.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175375;MM175375;C#CC=C(C)C(C)C=C;TXFFQCXFZMOFAK-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175376;MM175376;C#CC=C(C)C(C)C=O;CUWBWHLKHIIHKT-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175377;MM175377;C#CC=C(C)C(C)C#N;UFSPNNIUZDKQQM-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175378;MM175378;C#CC=C(C)C(N)C=C;VFTJFULOKMAYBJ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175379;MM175379;CN1CC1(C)CC(=O)NN;AZYCKRFKBRYYIW-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175380;MM175380;C#CC=C(C)C(O)C#N;WNTLWVVTWFFZMZ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175381;MM175381;C#CC=C(C)C(F)C=C;WZNPBKTULIPXQK-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175382;MM175382;C#CC=C(F)C(C)C=C;TXLJXXFESXSIML-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175383;MM175383;C#CC=C(F)C(C)C=O;OLUGBQKWCIAAKZ-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175384;MM175384;C#CC=C(C)N(C)C=N;NUDVYRISABDAIZ-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175385;MM175385;C#CC(C)C(C)=CCC;PXXNTYTYTBBYMZ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175386;MM175386;C#CC(C)C(C)=CCN;PFAFSTDAGPOTDM-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175387;MM175387;C#CC(C)C(C)=CCO;KFVNMRFVOULLGR-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175388;MM175388;C#CC(C)C(C)=CCF;BRWQVRYCLHRIFU-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175389;MM175389;C#CC(N)C(C)=CCC;KJLGJKIEAGIIMP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175390;MM175390;C#CC(N)C(C)=CCN;NFMNYUMENSQDNS-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175391;MM175391;C#CC(O)C(C)=CCC;CNGPUXZHOOHVHJ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175392;MM175392;C#CC(O)C(C)=CCN;ZCFHQNRBWCMFHT-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175393;MM175393;C#CC(O)C(C)=CCO;LKQVRAWAJPIMPL-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175394;MM175394;C#CC(F)C(C)=CCC;PTJQASWVTCNVRC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175395;MM175395;C#CC(F)C(C)=CCN;GNAVDWVSWXGDNB-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175396;MM175396;C#CC(C)C(F)=CCC;WSHLZMPPOSNOAY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175397;MM175397;C#CC(C)C(F)=CCN;ROMKUWLCLVUZTG-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175398;MM175398;C#CC(N)C(F)=CCN;XECODFVFJYAOGL-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175399;MM175399;C#CC(O)C(F)=CCC;OFGHDGCVFXCCSW-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175400;MM175400;C#CC(O)C(F)=CCN;CZFKSNVUYQKKEE-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175401;MM175401;C#CC(O)C(F)=CCO;QWUYGSVRBCKSRX-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175402;MM175402;C#CC(O)C(F)=CCF;GTHRFSFPAHURLJ-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175403;MM175403;C#CC(F)C(F)=CCO;HVRQGKFAEZNNJU-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175404;MM175404;C#CC(F)C(F)=CCF;GJSYEQOATIDQDJ-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175405;MM175405;C#CC(C)C(C)=COC;PSHBISNRSSGJHD-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175406;MM175406;C#CC(O)C(C)=COC;UQKOAUAKGWMBAD-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175407;MM175407;C#CC(F)C(C)=COC;AYMZWSBUHWLRIY-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175408;MM175408;C#CC(C)C(F)=COC;OPMSORXFUCQEBH-UHFFFAOYSA-N;128.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175409;MM175409;C#CC(F)C(F)=COC;LEACABCARXQOKD-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175410;MM175410;C#CC(C)C(C)=NOC;QJMWARLHPVEDRT-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175411;MM175411;CC(C)=NN=CNNC=O;URKVMVMMNBOAAU-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175412;MM175412;C#CC(C)C(C)=CC=C;DDDIAZUQHOJCNJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175413;MM175413;C#CC(C)C(C)=CC=O;FRTFSVRJFCNEKE-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175414;MM175414;C#CC(C)C(C)=CC#N;MQKBSZQOJXILAL-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175415;MM175415;C#CC(N)C(C)=CC=C;HMHDVDOREYZJQH-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175416;MM175416;C#CC(O)C(C)=CC=C;JHSRNBSLRFDMQW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175417;MM175417;C#CC(F)C(C)=CC=C;NBLQYJXQVASGNU-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175418;MM175418;C#CC(F)C(C)=CC#N;XWDNYIJZECVYEA-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175419;MM175419;C#CC(C)C(N)=CC=O;HBHQFNWLRMACLS-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175420;MM175420;C#CC(C)C(N)=CC#N;WBAQMJSTPSKMTK-UHFFFAOYSA-N;120.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175421;MM175421;C#CC(O)C(N)=CC=O;RHZBTMYCMZITMI-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175422;MM175422;C#CC(C)C(F)=CC=C;MMTTVIRGYNVYFI-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175423;MM175423;C#CC(C)C(F)=CC=O;FSQSKMIXKBLGAG-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175424;MM175424;C#CC(C)C(F)=CC#N;CYOKABUJSBQVHW-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175425;MM175425;C#CC(O)C(F)=CC=C;LMSRFGLYASLOEL-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175426;MM175426;C#CC(C)C(C)=NN=C;HZTMLIIIWLMYEE-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175427;MM175427;C#CC(O)C(C)=NN=C;QZDPYEJEYMGVRG-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175428;MM175428;C#CC(F)C(C)=NN=C;HGBLFNMEMPYXLG-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175429;MM175429;C#CC=C(C)C(C)C#C;HOWYAXDSJNYFSM-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175430;MM175430;C#CC=C(C)C(N)C#C;ONKXWDMEQHLLCY-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175431;MM175431;C#CC=C(C)C(O)C#C;SAFDRZUKNCLPRT-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175432;MM175432;C#CC=C(C)C(F)C#C;JZERUXWWCNPCQA-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175433;MM175433;C#CC=C(F)C(C)C#C;IPYNPBCLRQZYGQ-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175434;MM175434;C=C(CC)C(C)=CCC;GCEFOIKIJLHKSC-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175435;MM175435;C=C(CC)C(C)=CCN;WHFPKQQWOWISIX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175436;MM175436;C=C(CC)C(C)=CCO;LVCBRTQPGFCMKA-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175437;MM175437;C=C(CC)C(C)=CCF;LBWSUFBXXGDZRJ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175438;MM175438;C=C(CN)C(C)=CCC;RDPRHLVGPMSIAY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175439;MM175439;C=C(CN)C(C)=CCF;PTZODIXNKSAXTO-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175440;MM175440;C=C(CO)C(C)=CCC;NDFXXWXNKKKUJE-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175441;MM175441;C=C(CO)C(C)=CCO;ATHJDKNEQPBNAF-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175442;MM175442;C=C(CF)C(C)=CCC;ROOSRKUVQJWZQY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175443;MM175443;C=C(CF)C(C)=CCN;ZGCXXHULRRUHQK-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175444;MM175444;C=C(CF)C(C)=CCO;ZQPPBZAJMCCTIS-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175445;MM175445;CCC=C(C)C(=O)CC;BDBHRHLQMIKKIB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175446;MM175446;CCC(=O)C(C)=CCO;IBLNJXTVOUTWLY-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175447;MM175447;CCC(=O)C(C)=CCF;UBMDHEAVDJLLSU-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175448;MM175448;CCC=C(C)C(=O)CO;NQIFKHBWPFPEKH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175449;MM175449;CC(=CCO)C(=O)CO;HXFRXYFBHPFBFO-UHFFFAOYSA-N;130.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175450;MM175450;CCC=C(C)C(=O)CF;BIVWIIALVNGTMR-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175451;MM175451;CC(=CCF)C(=O)CF;RGFWQUWBTLSATA-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175452;MM175452;C=C(CC)C(F)=CCC;ARGBJGYBDLKXED-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175453;MM175453;C=C(CC)C(F)=CCN;OTEXISDMZZIYQC-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175454;MM175454;C=C(CC)C(F)=CCO;BCXDOEANSJBQHW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175455;MM175455;C=C(CN)C(F)=CCC;SZFLGYQECKAHKE-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175456;MM175456;C=C(CO)C(F)=CCC;PANKHVDQOVHICC-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175457;MM175457;C=C(CO)C(F)=CCN;UOMWXVSMFJRQLI-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175458;MM175458;C=C(CO)C(F)=CCO;BFUSBRHMRWIMTR-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175459;MM175459;C=C(CF)C(F)=CCC;YSWIATHWRNHDKJ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175460;MM175460;CCC=C(F)C(=O)CC;OJWRWVILDRVUIN-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175461;MM175461;CCC=C(F)C(=O)CO;KUHRQQSFCPCXLL-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175462;MM175462;O=C(CO)C(F)=CCF;XZPORILIKLQLLR-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175463;MM175463;CCC=C(F)C(=O)CF;ALMVGGHZPMCHQL-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175464;MM175464;CCC(=O)C(C)=CNC;YWMFXNSDGHVSGL-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175465;MM175465;CNC=C(C)C(=O)CO;IWCKRPMDPBEDTQ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175466;MM175466;CNC=C(C)C(=O)CF;TZCDUUMWYVTQKB-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175467;MM175467;C=C(CC)C(C)=COC;QBMQSSOZEHTYJK-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175468;MM175468;C=C(CN)C(C)=COC;FOTDNFRLQIMYMZ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175469;MM175469;C=C(CO)C(C)=COC;UMRKRKUZPKYUAF-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175470;MM175470;C=C(CF)C(C)=COC;CLQHQTOOEHMDTR-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175471;MM175471;CCC(=O)C(C)=COC;AIFFWMXMBCHYFL-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175472;MM175472;COC=C(C)C(=O)CF;QGSOLXOFJQRMKJ-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175473;MM175473;C=C(CN)C(F)=COC;GADPXANYHOJFDV-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175474;MM175474;C=C(CO)C(F)=COC;BVSXRKHKIOSHHI-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175475;MM175475;CCC(=O)C(F)=COC;BWCIXCSOONNVMU-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175476;MM175476;CCC=C(C)C(=N)NC;LZFBAUNCICBYHJ-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175477;MM175477;CC(=CCO)C(=N)NN;QWILXKMPZBQNSI-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175478;MM175478;CC(=CCF)C(=N)NN;GAUFLPRGMVTAFU-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175479;MM175479;CCC=C(C)C(=N)NO;FHRVMPGQGUSHSB-UHFFFAOYSA-N;128.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175480;MM175480;CC(=CCN)C(=N)NO;NLIPGKKIOQHFAN-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175481;MM175481;CC(=CCO)C(=N)NO;LAWHCIAYEWTIOC-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175482;MM175482;CNNC(=O)C(C)=C(C)N;ILWQJSTZFXGOAW-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175483;MM175483;CN1CC1(C)CNNC=O;NMDHVNMHFOYVSI-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175484;MM175484;CC(=CCN)C(=O)NO;NYUOWNBOBSYRRR-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175485;MM175485;CNC(=O)C(F)=CCF;BPLGEPBHGRHOSZ-UHFFFAOYSA-N;135.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175486;MM175486;CNC=C(F)C(=N)NC;VZAFYQYGVJFOFY-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175487;MM175487;COC(=O)NNC(=N)CF;XXSQWWQGOPHWNY-UHFFFAOYSA-N;149.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175488;MM175488;COC=C(C)C(=O)NO;KCEKUAMPPKORLF-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175489;MM175489;C=C(OC)C(C)=CCC;MFFBVXYPQUPULW-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175490;MM175490;C=C(OC)C(C)=CCN;SCPMPDZXACAJJB-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175491;MM175491;CCC=C(C)C(=O)OC;SRORRGMOEUTSDV-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175492;MM175492;C=C(OC)C(F)=CCO;NKYPQMYBCJCRHQ-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175493;MM175493;CCC=C(F)C(=O)OC;ZZEQRJMYSKFERJ-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175494;MM175494;C=C(OC)C(C)=COC;CHRJKDGEBMSIHV-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175495;MM175495;COC=C(C)C(=O)OC;XEQYPQHAQCSASZ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175496;MM175496;C=C(OC)C(F)=COC;KRRVUGBNGAQNPJ-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175497;MM175497;C=CC1(C)CC1C(=O)NN;HSXJXODEGQPXHP-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175498;MM175498;C#CC1(O)CCC(=NN)C1;QVJRYYUMNAAYRP-UHFFFAOYSA-N;138.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175499;MM175499;C=C(CC)C(C)=NOC;QYGSAUWKFMPZAW-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175500;MM175500;C=C(CF)C(C)=NOC;YGHRCJJTBFCZFY-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175501;MM175501;CCC(=CC(=O)NN)CO;LPDYAEYKSULSRE-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175502;MM175502;CON=C(C)C(=O)CO;DFVTWWOLJMBSCA-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175503;MM175503;CNC(=O)C(=O)N(N)C=N;QKWQDCBUZDYQTM-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175504;MM175504;CNN=C(C)C(=O)NO;DPCLVTLJOFICPQ-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175505;MM175505;CCNC(C#N)C(O)CO;ATIMMMUDRQWDCD-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175506;MM175506;CON=C(C)C(=O)NO;PJSPFGPPTDXXRG-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175507;MM175507;C=C(OC)C(C)=NNC;YICBENGQIUHOLD-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175508;MM175508;C=C(OC)C(C)=NOC;BGYGNNMSZKORGP-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175509;MM175509;C=CC=C(C)C(=C)CC;RLVAIOSVDWNJRP-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175510;MM175510;C=C(CC)C(C)=CC=O;DVWINKIJIBVQAN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175511;MM175511;C=C(CC)C(C)=CC#N;TUWRRHOAASEOJO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175512;MM175512;C=CC=C(C)C(=C)CN;RJTLMTKDTIDRMD-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175513;MM175513;Cc1c(F)n(O)c(=N)n1O;IWOSATXBRKYAIW-UHFFFAOYSA-N;147.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175514;MM175514;C=NN1CC2C(O)C2(O)C1;HWBHDCVZJHONTN-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175515;MM175515;C=C(CO)C(C)=CC#N;IHSVXINWYYXVAU-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175516;MM175516;C=CC=C(C)C(=C)CF;RMIBIOXAZCKHQO-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175517;MM175517;C=C(CF)C(C)=CC=O;LXOMJWOCBAIHBM-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175518;MM175518;C=C(CF)C(C)=CC#N;VPQIXWKMERGSCP-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175519;MM175519;C=CC=C(C)C(=O)CC;DOVMZZDTSMPXNG-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175520;MM175520;CCC(=O)C(C)=CC=O;QRWKIWURUNGHLX-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175521;MM175521;CCC(=O)C(C)=CC#N;WDYYSIPHHVNVIZ-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175522;MM175522;CC(=CC=O)C(=O)CF;BLQJJKPMQJEWCO-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175523;MM175523;C=C(CC)C(N)=CC=O;KSPBYRAOLOFBQL-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175524;MM175524;C=C(CC)C(N)=CC#N;XTQWKQOQWHXIIV-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175525;MM175525;CCC(=O)C(N)=CC#N;HQNVSZGYFWPXRU-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175526;MM175526;CC12OC(NO)=NC1C2O;ROYODIDMIBJJRX-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175527;MM175527;C=C(CC)C(F)=CC=O;QJXLBBAQCXIFGH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175528;MM175528;C=C(CC)C(F)=CC#N;JFRNURKGHTYISC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175529;MM175529;C=CC=C(F)C(=C)CN;JLCBFIYGBWAXTL-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175530;MM175530;C=CC=C(F)C(=C)CO;OEGAMBJCKKAFRB-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175531;MM175531;C=C(CO)C(F)=CC#N;LRHLVXIAHCNCJO-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175532;MM175532;C=CC=C(F)C(=C)CF;KQMRRGAVDFQIDI-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175533;MM175533;C=CC=C(F)C(=O)CC;GPPRQIURCYRHOB-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175534;MM175534;CCC(=O)C(F)=CC#N;GSWXULWAYZHAGD-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175535;MM175535;C=CC=C(F)C(=O)CO;NZOJDPAERDFZRP-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175536;MM175536;C=CC=C(F)C(=O)CF;GPCBSVAMVJTBIF-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175537;MM175537;N#CC=C(F)C(=O)CF;JIFWQNOCNYMPBW-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175538;MM175538;C=CC=C(C)C(=N)NC;JOZAPUYASFLIFO-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175539;MM175539;CNC(=N)C(C)=CC#N;LZZBGNGTTICTNV-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175540;MM175540;C=CC=C(C)C(=N)NN;UDTWBVPSEHPJHN-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175541;MM175541;C=CC=C(C)C(=N)NO;JLQRUJXJRUUOOZ-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175542;MM175542;C=CC=C(C)C(=O)NO;GPPUHCKGKVPYEC-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175543;MM175543;CN=C(N)C(N)=CC=O;ZNVDWEQNTIBCBP-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175544;MM175544;CNC(=O)C(N)=CC=O;NCXWOXAVYSJMIW-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175545;MM175545;NC(=NO)C(F)=CC=O;URSPZDCNJQJNHG-UHFFFAOYSA-N;132.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175546;MM175546;C=CC=C(C)C(=C)OC;FLRBSDZBAIRWMN-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175547;MM175547;C=C(OC)C(C)=CC#N;KTBBIFDIQNQRIG-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175548;MM175548;COC(=O)C(N)=CC=O;AFYWXJSJBREWIP-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175549;MM175549;C=CC=C(F)C(=C)OC;ZMZAVJMNEQMFHU-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175550;MM175550;C=C(OC)C(F)=CC=O;GDZPMJBTKBRDEI-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175551;MM175551;C=C(OC)C(F)=CC#N;QFIREKZUVNXYSQ-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175552;MM175552;C=CC=C(F)C(=O)OC;GGVCMRMJDVCLJP-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175553;MM175553;C=NN=C(C)C(=C)CC;DGNUVFGNKMFCMH-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175554;MM175554;C=NN=C(C)C(=C)CN;ITNSRTHMHLIBOL-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175555;MM175555;C=NN=C(C)C(=C)CF;OFCZWUNHUDCMGB-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175556;MM175556;C=NN=C(C)C(=O)CC;AQAZJBVYYVNEKG-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175557;MM175557;C=NN=C(C)C(=C)OC;YJYBNXFHQWDPME-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175558;MM175558;C=NN=C(C)C(=O)OC;SBOZDYSGPZLYCU-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175559;MM175559;C#CC=C(C)C(=C)CC;OBYNDKWGYDAAGV-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175560;MM175560;C#CC=C(C)C(=C)CN;DMCHEQRBHQOLAV-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175561;MM175561;C#CC=C(C)C(=C)CO;XBWFHOKRARHASZ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175562;MM175562;C#CC=C(C)C(=C)CF;XKPQYXDQFIPQFI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175563;MM175563;C#CC=C(C)C(=O)CC;BQSDHENMIICMJQ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175564;MM175564;C#CC=C(C)C(=O)CF;KOCUAYQHTUFKQU-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175565;MM175565;C#CC=C(F)C(=C)CC;NSXLKUSEWJCEMO-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175566;MM175566;C#CC=C(F)C(=C)CN;KGXKDXQQSPIFEG-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175567;MM175567;C#CC=C(F)C(=C)CO;ARSQJBFEVNYAPF-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175568;MM175568;C#CC=C(F)C(=C)CF;OPBNANGNSNPSJM-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175569;MM175569;C#CC=C(F)C(=O)CC;DGMFMSOZCSVJSX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175570;MM175570;C#CC=C(F)C(=O)CO;LOPXDZVLUUAXFH-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175571;MM175571;C#CC=C(C)C(=N)NN;SLHDZSFQQFVKKR-UHFFFAOYSA-N;123.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175572;MM175572;C#CC=C(C)C(=N)NO;RJVVWZPKMXHQJX-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175573;MM175573;C#CC=C(F)C(=C)OC;KENPPTZIWGYNPI-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175574;MM175574;C#CC=C(F)C(=O)OC;QJSXTPDKQRCYPI-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175575;MM175575;C=CC(=C)C(C)=CCC;BJXUXUACDRHIIB-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175576;MM175576;C=CC(=C)C(C)=CCN;IUEWCEOYJYPSGQ-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175577;MM175577;C=CC(=C)C(C)=CCO;RGLKTVRKNDVXHT-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175578;MM175578;C=C(C=O)C(C)=CCC;ITEQKVIEQTVBGU-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175579;MM175579;C=C(C#N)C(C)=CCC;VNGYGBWAJLBFSA-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175580;MM175580;C=C(C=O)C(C)=CCF;WCZVIUKCKDVZMM-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175581;MM175581;C=C(C#N)C(C)=CCF;JKASCDUUJHUNGD-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175582;MM175582;C=CC(=O)C(C)=CCC;VJTBPAXXYOMHJP-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175583;MM175583;C=CC(=O)C(C)=CCF;GVEKHGLYRAXVMM-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175584;MM175584;CCC=C(C)C(=O)C#N;XMYBPSQQDKLQEX-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175585;MM175585;C=CC(=C)C(F)=CCC;NADVMBACOIBNKV-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175586;MM175586;C=CC(=C)C(F)=CCN;DFOPJUCRCJWSOF-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175587;MM175587;C=CC(=C)C(F)=CCO;NHZPLVQGEJOBSH-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175588;MM175588;C=CC(=C)C(F)=CCF;ZPAOEHQYWSAYRT-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175589;MM175589;C=C(C=O)C(F)=CCC;IUEPQKOTJJAVHI-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175590;MM175590;C=C(C#N)C(F)=CCC;CRUITEZJSGBTAI-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175591;MM175591;C=C(C#N)C(F)=CCO;XSZBADBUIZYFEM-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175592;MM175592;C=CC(=O)C(F)=CCC;CUVXJYSWXWGLAG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175593;MM175593;C=CC(=O)C(F)=CCF;AMJZHZIBINBQGR-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175594;MM175594;O=CC(=O)C(F)=CCO;HDYKZBYXMJJURP-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175595;MM175595;O=CC(=O)C(F)=CCF;XMPJIBNCJJOZJA-UHFFFAOYSA-N;134.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175596;MM175596;C=CC(=O)C(C)=CNC;WKULODXOXSNOCP-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175597;MM175597;CNC=C(C)C(=O)C=O;MHKGMWWEEJBKHC-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175598;MM175598;CNC=C(C)C(=O)C#N;AGLWVMARQCQULC-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175599;MM175599;C=CC(=C)C(C)=COC;LOJWJGLVVVYDPF-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175600;MM175600;C=C(C#N)C(C)=COC;MNYXLWHMIZNJLY-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175601;MM175601;C=CC(=C)C(F)=COC;PWZCKDYEHMRTLL-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175602;MM175602;C=C(C=O)C(F)=COC;XHMUADRFNJVOKF-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175603;MM175603;C=C(C#N)C(F)=COC;KVXCVNOXHFLVSR-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175604;MM175604;C=CC(=O)C(F)=COC;DXNPCFJGQRHUFQ-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175605;MM175605;C=CC(=C)C(C)=NNC;NNDJMLQAVXHJBO-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175606;MM175606;C=CC(=C)C(C)=NOC;RYIWORQEYLKNJL-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175607;MM175607;C=C(C#N)C(C)=NOC;KSQQOAMDMKLBPZ-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175608;MM175608;C=CC(=O)C(C)=NOC;SIELAJYYRHPECN-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175609;MM175609;CON=C(C)C(=O)C=O;ZSIAIQCDSIHAQM-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175610;MM175610;C=CC=C(C)C(=C)C=C;IDWLEFSOAXODJR-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175611;MM175611;C=CC(=C)C(C)=CC=O;PUJVECYTTDZZRG-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175612;MM175612;C=CC(=C)C(C)=CC#N;KOHQVAZBPHEGBR-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175613;MM175613;C=CC=C(C)C(=C)C=O;SXXFCFHZTINCEC-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175614;MM175614;C=CC=C(C)C(=C)C#N;GSCOREYURXQBQJ-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175615;MM175615;C=C(C=O)C(C)=CC=O;YKFYWVMLKVXPFR-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175616;MM175616;C=C(C=O)C(C)=CC#N;LIXZMJVERXNBER-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175617;MM175617;C=C(C#N)C(C)=CC#N;FQZNSNGVPDMLJX-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175618;MM175618;C=CC=C(C)C(=O)C=C;PLEQFSJEROSMLQ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175619;MM175619;C=CC(=O)C(C)=CC=O;HLLRRKFJKJURCF-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175620;MM175620;C=CC(=O)C(C)=CC#N;JNVFDVWOSLRBFE-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175621;MM175621;CC(=CC=O)C(=O)C=O;FOOMVIXYVBNBGF-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175622;MM175622;CC(=CC#N)C(=O)C#N;HEFWNSHGWOHCGN-UHFFFAOYSA-N;120.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175623;MM175623;C=CC(=C)C(N)=CC=O;MUAZLRABDJRXJZ-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175624;MM175624;C=CC(=C)C(N)=CC#N;VRVNJKJORQGRRV-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175625;MM175625;C=C(C#N)C(N)=CC#N;LDANPUHORYMSNC-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175626;MM175626;C=CC=C(F)C(=C)C=C;WMGSPNRXOXLPBV-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175627;MM175627;C=CC(=C)C(F)=CC=O;UYUSMMCGYZGOKJ-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175628;MM175628;C=CC(=C)C(F)=CC#N;CTGQGORDUIRVKB-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175629;MM175629;C=CC=C(F)C(=C)C=O;ILHFOYITOKPEFW-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175630;MM175630;C=CC=C(F)C(=C)C#N;POQYYCQWTCVNMM-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175631;MM175631;C=C(C=O)C(F)=CC=O;UDYIRBNFWUKKBJ-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175632;MM175632;C=C(C=O)C(F)=CC#N;JIAUZMRNHCEOIT-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175633;MM175633;C=C(C#N)C(F)=CC=O;FOULCMDGEDFANN-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175634;MM175634;C=C(C#N)C(F)=CC#N;WXVPQQDMDRPEIQ-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175635;MM175635;C=CC=C(F)C(=O)C=C;YQXBYTQOPQUTSL-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175636;MM175636;C=CC(=O)C(F)=CC=O;MDWXMMUOTKVUHE-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175637;MM175637;C=CC(=O)C(F)=CC#N;NOGSLNFYVQEDQB-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175638;MM175638;C=CC=C(F)C(=O)C=O;YFVKCCOKMPAYMC-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175639;MM175639;C=CC=C(F)C(=O)C#N;DPGHTDFFGNTOPV-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175640;MM175640;O=CC=C(F)C(=O)C=O;JJGVTXICEPJYII-UHFFFAOYSA-N;130.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175641;MM175641;N#CC(=O)C(F)=CC=O;LXMCFPDRSCJRRY-UHFFFAOYSA-N;127.07;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175642;MM175642;C=CC(=C)C(C)=NN=C;UYBRRHVVTYXVQM-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175643;MM175643;C=NN=C(C)C(=C)C=O;ZHKPGQZJRPTJFY-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175644;MM175644;C=NN=C(C)C(=C)C#N;YUQKWGYCOVFVRU-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175645;MM175645;C=CC(=O)C(C)=NN=C;MBOHIQVZXGVVLY-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175646;MM175646;C=NN=C(C)C(=O)C#N;KZGXZGMZDCWFQK-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175647;MM175647;C#CC=C(C)C(=C)C=C;UYVGAMJIBMSPQH-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175648;MM175648;C#CC=C(C)C(=C)C#N;JDCFPLHIVFZHIK-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175649;MM175649;C#CC=C(C)C(=O)C=C;JDHLARAUSKMKEO-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175650;MM175650;C#CC=C(C)C(=O)C#N;NQTNBEFWPAPHON-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175651;MM175651;C#CC=C(F)C(=C)C=C;FYAWAYXFOXUISJ-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175652;MM175652;C#CC=C(F)C(=C)C=O;SEEAJQKHDPNCLL-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175653;MM175653;C#CC=C(F)C(=C)C#N;DEQWGCWNTPGINX-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175654;MM175654;C#CC=C(F)C(=O)C=C;LJHDUKZJOXUHTD-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175655;MM175655;C#CC=C(F)C(=O)C#N;CLEJNMPXYTUVBM-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175656;MM175656;C#CC(=C)C(C)=CCC;CCGFVACOSOFCMA-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175657;MM175657;C#CC(=C)C(C)=CCN;JXGOOMLPLSMIAW-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175658;MM175658;C#CC(=C)C(C)=CCO;ADHVHXIUIMADIY-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175659;MM175659;C#CC(=C)C(C)=CCF;KTKYDFNMIKWCKV-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175660;MM175660;C#CC(=O)C(C)=CCC;ASLLTOQHQJOVFF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175661;MM175661;C#CC(=O)C(C)=CCF;DAJANKSQVOILLS-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175662;MM175662;C#CC(=C)C(F)=CCC;BETUTGHQNWOYPA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175663;MM175663;C#CC(=O)C(F)=CCC;FZBSBFDEHUKVDX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175664;MM175664;C#CC(=O)C(F)=CCO;NPCQWQYJEJEMLE-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175665;MM175665;C#CC(=C)C(C)=COC;CJVMERJWMSFAQJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175666;MM175666;C#CC(=O)C(C)=COC;SCNFDYFXVMGJKX-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175667;MM175667;C#CC(=C)C(F)=COC;OVWOZYBBUSIWBI-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175668;MM175668;C#CC(=C)C(C)=NOC;OWVWLVDRLOOUDO-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175669;MM175669;C#CC(=C)C(C)=CC=C;DYVLGHGFULMAQB-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175670;MM175670;C#CC(=C)C(C)=CC=O;LAPNYQYCVQZVEO-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175671;MM175671;C#CC(=C)C(C)=CC#N;IGGFZSXWXQDTSO-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175672;MM175672;C#CC(=O)C(C)=CC=C;DIULQIMZYUUDAA-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175673;MM175673;C#CC(=C)C(N)=CC#N;PQTYZXBKCAZMNQ-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175674;MM175674;C#CC(=O)C(N)=CC=O;YUCVKCKKHLEGLT-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175675;MM175675;CNC(C#N)C(O)COC;WETJCKTUPBGLRU-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175676;MM175676;C#CC(=C)C(F)=CC=C;JSABWIRAPJXCIP-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175677;MM175677;C#CC(=C)C(F)=CC=O;URLIRHHHHCZGJE-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175678;MM175678;C#CC(=C)C(F)=CC#N;IMYFBABCXLXGMO-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175679;MM175679;C#CC(=O)C(F)=CC=C;WIFUIEYXZRMFOM-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175680;MM175680;C#CC(=O)C(F)=CC=O;LRIYHAOSKDZCBX-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175681;MM175681;C#CC(=C)C(C)=NN=C;MSHXADLXSBUIEO-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175682;MM175682;C#CC(=O)C(C)=NN=C;VPAWMESQZBGFHY-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175683;MM175683;C#CC=C(C)C(=C)C#C;SYMXAZRDOOUMRI-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175684;MM175684;C#CC=C(C)C(=O)C#C;VSBNSMYNRZVRJU-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175685;MM175685;C#CC=C(F)C(=C)C#C;ACIAVXHQGOKGTJ-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175686;MM175686;C#CC=C(F)C(=O)C#C;BFNSNSVINHNCCL-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175687;MM175687;CC=C(C)C(C)=CCC;BMSBXTAXXHFGDS-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175688;MM175688;CC=C(C)C(C)=CCN;PKRXZOMOXQHYLB-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175689;MM175689;CC=C(C)C(C)=CCO;NNHNNGKFHYMFNT-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175690;MM175690;CCC=C(C)C(C)=CF;WRTNOXLUZSDXLZ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175691;MM175691;CC(=CF)C(C)=CCN;PQMYCJFADYSCSC-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175692;MM175692;CC(=CF)C(C)=CCF;RRKXKNHGQSHUHJ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175693;MM175693;CC=C(F)C(C)=CCN;UBVMMYIAMPZRFW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175694;MM175694;CC(=CCN)C(F)=CF;OLAUJBIRYOFJLY-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175695;MM175695;CC=C(C)C(F)=CCC;QONXKAPPXMJCOW-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175696;MM175696;CC=C(C)C(F)=CCN;IYMYULAJPXRASP-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175697;MM175697;CC=C(C)C(F)=CCO;INCJJENTYHPQAT-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175698;MM175698;CC=C(C)C(F)=CCF;BKTJWNRFNWAAHR-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175699;MM175699;CCC=C(F)C(C)=CF;NRNFRDNPEKOQNN-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175700;MM175700;CC(=CF)C(F)=CCN;CHLKHWSGSMLBQL-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175701;MM175701;CC=C(F)C(F)=CCC;OPXCSAIPUXLIJG-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175702;MM175702;CC=C(F)C(F)=CCO;SCGWJORVNWPRHZ-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175703;MM175703;CC=C(C)C(C)=COC;RTNSSDRUYXYSPN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175704;MM175704;COC=C(C)C(C)=CF;YMAJQKSNLCGZAD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175705;MM175705;CCC=C(C)C(C)=NN;FTEZVRNPOLJTGZ-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175706;MM175706;CC(=CCF)C(C)=NN;RVXUEKFKVJCNRH-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175707;MM175707;COCC(O)C(C#N)=CN;AHIGXMMZLLBXJQ-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175708;MM175708;CC(=CCF)C(C)=NO;MYNYZULWHZTMTE-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175709;MM175709;CCC=C(F)C(C)=NN;MQXPUAWXWFMBGX-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175710;MM175710;CC(=NN)C(F)=CCF;JZGSWKHIWAKKGL-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175711;MM175711;CCC=C(F)C(C)=NO;BWIKUDUOOZGVLX-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175712;MM175712;CN=CC(C)=C(C)NN;HRKUAUHRVUQNEA-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175713;MM175713;COC=C(C)C(C)=NN;MZDJOSKZHHXUOT-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175714;MM175714;COC=C(C)C(C)=NO;DDRXEUMOKVTNTE-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175715;MM175715;COC=C(F)C(C)=NN;RQSGODCWBUFCFG-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175716;MM175716;CC=C(C)C(C)=NOC;QKDVWZACEXDCRX-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175717;MM175717;CC=C(F)C(C)=NOC;BMKTXDFRZLSYET-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175718;MM175718;CON=C(C)C(F)=CN;BINSDSRZLZHNMQ-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175719;MM175719;CON=C(C)C(F)=CF;FWFRESVHTACXFJ-UHFFFAOYSA-N;135.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175720;MM175720;CCC(=CN)C(=O)NNC;YZRDBQHLZWSFNS-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175721;MM175721;CCN=C1COC(=NC)N1;BHJXMWYHIVFLQJ-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175722;MM175722;C=CC=C(C)C(C)=CC;VHQRVVNNUNASMN-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175723;MM175723;CC=C(C)C(C)=CC=O;ZZCHNINWGOVWBX-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175724;MM175724;CC=C(C)C(C)=CC#N;PZTDPQQRZXTXSK-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175725;MM175725;C=CC=C(C)C(C)=CF;IZHLHDYOESODMK-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175726;MM175726;CC(=CF)C(C)=CC=O;IXESVXQHPLOKNH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175727;MM175727;CC(=CF)C(C)=CC#N;SYWZBTRLVZKGKO-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175728;MM175728;CC=C(F)C(C)=CC=O;MSLUHQAYTQZNNR-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175729;MM175729;CC=C(F)C(C)=CC#N;JAHMRUAHSCSLCC-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175730;MM175730;C=CC=C(C)C(F)=CF;XGJFHMQBSPFLNT-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175731;MM175731;CC=C(F)C(N)=CC#N;TUCXONHPZHUIEK-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175732;MM175732;NC(=CC=O)C(F)=CF;FHVVYXNOCQPWLM-UHFFFAOYSA-N;133.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175733;MM175733;N#CC=C(N)C(F)=CF;ZNYJCFOPWYQWPX-UHFFFAOYSA-N;130.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175734;MM175734;C=CC=C(F)C(C)=CC;WZWSXQDHFFLRFB-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175735;MM175735;CC=C(C)C(F)=CC=O;QWBJDMFTRHWIDO-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175736;MM175736;CC=C(C)C(F)=CC#N;UKLMVYJIXOKSHY-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175737;MM175737;CC(=CF)C(F)=CC=O;DBSMNHMBFLZCQE-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175738;MM175738;C=CC=C(F)C(F)=CC;YZVJNAZUMUYVIS-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175739;MM175739;CC=C(F)C(F)=CC=O;UKRPPBSDVBYYHI-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175740;MM175740;C=CC=C(F)C(F)=CF;BOABYSZNRWBNEH-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175741;MM175741;C=CC=C(C)C(C)=NN;QEZJQTCWDPJMMU-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175742;MM175742;C=CN=C1COC(=NN)N1;PEXPFLYMAFTXPA-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175743;MM175743;C=CC=C(F)C(C)=NN;PWWVSUCXNULMMR-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175744;MM175744;C=CC=C(F)C(C)=NO;GXYKYKWISIUFHE-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175745;MM175745;C=NN=C(C)C(C)=CN;MOHLUULAMQYQGB-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175746;MM175746;C=NN=C(C)C(F)=CC;WANFCZLJKMKQDK-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175747;MM175747;C=NN=C(C)C(F)=CN;RXZHGHCVEZGJHK-UHFFFAOYSA-N;129.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175748;MM175748;C=NN=C(C)C(F)=CF;ALFLTTQHCOEISA-UHFFFAOYSA-N;132.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175749;MM175749;CN1CC1C1CC1(O)C=O;UQJKMXZNQMYRSL-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175750;MM175750;C#CC=C(C)C(C)=CC;UWYDXWAJUBHPFG-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175751;MM175751;C#CC=C(C)C(C)=CF;CIRDMFXXLAOMOI-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175752;MM175752;C#CC=C(C)C(F)=CC;MFJPYCHJKUXHNJ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175753;MM175753;C#CC=C(F)C(C)=CC;YJTLOFNFXGWYMA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175754;MM175754;CCCC(C)=C(C)CC;LVGIMZUCTYUIGT-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175755;MM175755;CCC(C)=C(C)CCN;MWLKXIIYKTWJTK-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175756;MM175756;NN=c1nccc(F)n1O;FZOOKAOQXDBKPK-UHFFFAOYSA-N;144.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175757;MM175757;CCCC(C)=C(C)CN;MZHZVJBTVKZJBW-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175758;MM175758;CC(CN)=C(C)CCF;CUSXVHKTVSDONA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175759;MM175759;CCC=NN=CNNC=O;XBAZEOMZSILFLQ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175760;MM175760;CCCC(C)=C(C)CF;HQZYGESRTRRGJG-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175761;MM175761;CC(CF)=C(C)CCN;MSAILEVHEAXMBD-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175762;MM175762;CC1(C)CC1C(=O)NN;TYIORGRYOXWJCU-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175763;MM175763;CC(CF)=C(C)CCF;RBWGQOZFTIRTHI-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175764;MM175764;CCC(F)=C(C)CCN;WPGWNHOVLNBHDA-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175765;MM175765;CC(CCN)=C(F)CF;VCSNVCSGYHMVLX-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175766;MM175766;CC(CCF)=C(F)CF;MKHOQWUSJGWXNX-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175767;MM175767;CCCC(F)=C(C)CC;BQGNWLCRFGFWSJ-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175768;MM175768;CCC(C)=C(F)CCN;WVQYXHORQFMKAC-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175769;MM175769;CCC(C)=C(F)CCF;QJHOCNQJSAFBDZ-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175770;MM175770;CCCC(F)=C(C)CN;IKLUHOKSZQSPHD-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175771;MM175771;CC(CN)=C(F)CCN;BPTUBDSMRUECNW-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175772;MM175772;CC(CO)=C(F)CCN;KNYAOUJBACUCIC-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175773;MM175773;CC(CO)=C(F)CCF;LSLYPGJQULTAJQ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175774;MM175774;CCCC(F)=C(C)CF;ZNAXQMZODZXGPE-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175775;MM175775;CC(CF)=C(F)CCN;DGQNNTACPAOHAW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175776;MM175776;CC(CF)=C(F)CCF;HDKAYSIGMGJUJC-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175777;MM175777;CCCC(F)=C(F)CC;NVMZNCNHFXVMAG-UHFFFAOYSA-N;134.17;3.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175778;MM175778;NCCC(F)=C(F)CO;XFHKETBPNFXPLR-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175779;MM175779;CCC(C)=C(C)CNC;OGDZGEURGOEPAT-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175780;MM175780;CNCC(C)=C(C)CN;WCHQNUOPWUDOSE-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175781;MM175781;CNCC(F)=C(C)CN;LYWOUXIMQVPLSB-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175782;MM175782;CCC(C)=C(C)COC;VKPSMDNWBIJRCJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175783;MM175783;COCC(C)=C(C)CO;CJFOCGKRZDTKOO-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175784;MM175784;COCC(C)=C(C)CF;YXPUEGPUZCFJOJ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175785;MM175785;COCC(F)=C(C)CO;WVVPFXPXHCIDAU-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175786;MM175786;COC(C)=C(F)CCO;MEGVYOKMHNJEPY-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175787;MM175787;COCC(C)=C(C)OC;VNZFFUIGNITIIS-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175788;MM175788;COCC(F)=C(C)OC;MVMXHRYEJJBUTE-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175789;MM175789;CCOC(C)=C(C)CO;YCWXWZDJRPINDS-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175790;MM175790;CCOC(C)=C(C)CF;BBQMOTWWKHZQQP-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175791;MM175791;CCOC(C)=C(F)CO;FMUNLEWQHUNXKS-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175792;MM175792;CCOC(C)=C(C)OC;MJSFBZFELBNLNW-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175793;MM175793;C=CCC(C)=C(C)CC;PNASMNGXILFVEQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175794;MM175794;CCC(C)=C(C)CC=O;ZZCFPVOXUYXVRO-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175795;MM175795;CCC(C)=C(C)CC#N;ADOXBGYCQOIRKH-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175796;MM175796;C=CCC(C)=C(C)CN;ZCOKHEQWTHFHRQ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175797;MM175797;CC1(C)CC1NNC=O;ZFARVGOXKCZDGO-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175798;MM175798;CC(CO)=C(C)CC#N;FALHTVAHWGZRKI-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175799;MM175799;C=CCC(C)=C(C)CF;IOZILYTXXHKIMB-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175800;MM175800;CC(CF)=C(C)CC#N;UCFIDYNFSGQTHQ-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175801;MM175801;C=CCC(C)=C(F)CC;PYQRKGFCPGDMGZ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175802;MM175802;CCC(F)=C(C)CC=O;KRIDPWLZQDYZRV-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175803;MM175803;CC(CC=O)=C(F)CF;NOSVSSABSJEELH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175804;MM175804;CCC(C)=C(F)CC=O;OQJSQHMPGHMODF-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175805;MM175805;CCC(C)=C(F)CC#N;YHMHXQCMAIOXFE-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175806;MM175806;C=CCC(F)=C(C)CF;ORURMXDQBYQBDY-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175807;MM175807;C=CCC(F)=C(F)CC;SSSUDGMGJAZOHT-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175808;MM175808;CCC(F)=C(F)CC=O;VKXYKKDYUWESCM-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175809;MM175809;O=CCC(F)=C(F)CF;MYHZVCOTUUIACM-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175810;MM175810;C=CCC(C)=C(C)OC;FTFSCBHMQKODEX-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175811;MM175811;COC(C)=C(C)CC#N;OJIFGXVEAUKSEQ-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175812;MM175812;COC(C)=C(F)CC#N;CRSFWKKSKMTUND-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175813;MM175813;CCC(C)=C(C)NC=N;VLLHGHUYOJSZCM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175814;MM175814;CCC(C)=C(C)NC=O;XJPAKEKTBRQBKD-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175815;MM175815;CC(CN)=C(C)NC=O;MXNREEXWKGPMLI-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175816;MM175816;CC(CO)=C(C)NC=O;KRGWRJFJSZNZJX-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175817;MM175817;CC(CF)=C(C)NC=N;WCXCCBJHBOFWPE-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175818;MM175818;CCC(F)=C(C)NC=N;XGGHWQHLLNIFDQ-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175819;MM175819;CCC(F)=C(C)NC=O;GEDSNVAHKBPYJH-UHFFFAOYSA-N;131.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175820;MM175820;COC(C)=C(C)NC=N;HUSCDXKKJHWAAG-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175821;MM175821;C=COC(C)=C(C)CC;LYEHCBIPLCCWNY-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175822;MM175822;CCC(C)=C(C)OC=O;HUBKQJQQTUMEQA-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175823;MM175823;C=COC(C)=C(C)CO;XXNXSWPMGHSJNK-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175824;MM175824;C=COC(C)=C(C)CF;AEERXQDIGQHDQM-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175825;MM175825;CC(CF)=C(C)OC=O;PFEKXYAQQSPBFT-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175826;MM175826;C=COC(C)=C(F)CC;DCEYAMNQTQBSTA-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175827;MM175827;CCC(F)=C(C)OC=O;VYPUCZWLXFGNEN-UHFFFAOYSA-N;132.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175828;MM175828;C=COC(C)=C(F)CO;IZMZUGMSLRDTOF-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175829;MM175829;C=COC(C)=C(C)OC;GXIHWLRLEYRFMH-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175830;MM175830;C#CCC(C)=C(C)CC;ZQPAPGSQACUZCJ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175831;MM175831;C#CCC(C)=C(C)CN;FOUXATGMWXYHGT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175832;MM175832;C#CCC(C)=C(C)CF;VFICGIDZGUVNGF-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175833;MM175833;C#CCC(C)=C(F)CF;BHOHHYYSCUCMJR-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175834;MM175834;C#CCC(F)=C(C)CC;ACRKZZWZXVBOQR-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175835;MM175835;C#CCC(F)=C(C)CF;JPWUJAVIZWXMTI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175836;MM175836;C#CCC(F)=C(F)CC;CTVZLUDROXEHKP-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175837;MM175837;C#CCC(F)=C(F)CO;NZHOQRIPMUVYIL-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175838;MM175838;C#CCC(C)=C(C)OC;UKBBLGJAMUNAPI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175839;MM175839;C#CCC(F)=C(C)OC;XKNXIYVXBBQNPI-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175840;MM175840;C=CC(C)=C(C)CCC;TUHXDKICJWKULW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175841;MM175841;C=CC(C)=C(C)CCN;WOCWNHVRVPVBHF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175842;MM175842;Nc1cc(F)n(N)c1O;OPUMVHCIBYAEEP-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175843;MM175843;CCCC(C)=C(C)C=O;OFZSBQNJOUKCST-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175844;MM175844;CCCC(C)=C(C)C#N;SICIJSJBDJJXPE-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175845;MM175845;C=CC(F)=C(C)CCC;NJHDRFQHGGALRT-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175846;MM175846;C=CC(F)=C(C)CCN;IAJISPGJTLQFNZ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175847;MM175847;CC(CCF)=C(F)C=O;KSHFROZURPKIFJ-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175848;MM175848;CCCC(N)=C(C)C#N;HTJWOEYOIXIQGN-UHFFFAOYSA-N;124.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175849;MM175849;CC(C=O)=C(N)CCO;AJLFVPJTXVZLEK-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175850;MM175850;CC1OC(=NN)NC1=N;FXFMTXHEEONBGM-UHFFFAOYSA-N;128.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175851;MM175851;N#CC(F)=C(N)CCF;NDCRHAPDMGQAPR-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175852;MM175852;C=CC(C)=C(F)CCC;HPKZVMFLWKDKGK-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175853;MM175853;C=CC(C)=C(F)CCN;OHZBCZURDHYAFB-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175854;MM175854;C=CC(C)=C(F)CCF;AZURSLDLUHTSJM-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175855;MM175855;CCCC(F)=C(C)C=O;CXCAUMARIBUAOR-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175856;MM175856;CCCC(F)=C(C)C#N;SIRFTYDANQHHEL-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175857;MM175857;CC(C=O)=C(F)CCF;NENSATZURXIKQT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175858;MM175858;C=CC(F)=C(F)CCC;ADAXPTWEGMUAMK-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175859;MM175859;C=CC(F)=C(F)CCO;PSLCOKPEWMPWHE-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175860;MM175860;C=CC(C)=C(C)CNC;ACFNLPFRNDZGTH-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175861;MM175861;C=CC(F)=C(C)CNC;CZGWVYZYFIWOPD-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175862;MM175862;C=CC(C)=C(C)COC;JCQCGSQJBRFOKD-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175863;MM175863;COCC(C)=C(C)C=O;LPENZCLUXQYKAZ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175864;MM175864;COCC(C)=C(C)C#N;JRRSPBWHRVZFDM-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175865;MM175865;COCC(C)=C(F)C#N;TUGGPPFZGXQSBQ-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175866;MM175866;COCC(N)=C(C)C=O;OIRHUPQNDBWWOH-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175867;MM175867;COCC(N)=C(F)C=O;BIYQWYUKEDSXQK-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175868;MM175868;C=CC(C)=C(F)COC;JXFZUGTZLMLZCL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175869;MM175869;C=CC(F)=C(F)COC;TUMAKAYNARAQMZ-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175870;MM175870;COCC(F)=C(F)C=O;QBODYNRYJINURQ-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175871;MM175871;COCC(F)=C(F)C#N;MEQWIJSWMKMXDC-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175872;MM175872;CCNC(C)=C(C)C=O;WQZFQHNGNXWCMQ-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175873;MM175873;CCNC(C)=C(C)C#N;LWQAWBWMXWOSOU-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175874;MM175874;CCNC(C)=C(F)C#N;JSQBZFOAVVXZDS-UHFFFAOYSA-N;128.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175875;MM175875;CCNC(N)=C(F)C#N;GCLZATFCKOHOPI-UHFFFAOYSA-N;129.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175876;MM175876;C=CC(C)=C(C)OCC;JNSKEFYECNDFHU-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175877;MM175877;CCOC(C)=C(C)C#N;UMBVFTDFFPSXJH-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175878;MM175878;C=CC(F)=C(C)OCC;LULQVMGFZAPVKH-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175879;MM175879;CCOC(C)=C(F)C=O;BOTBLIJZHRVHIB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175880;MM175880;CCOC(N)=C(C)C=O;UTZTYDYSXFGDAH-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175881;MM175881;CCOC(N)=C(C)C#N;LCGIVHXQNVQBFH-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175882;MM175882;CCOC(N)=C(F)C=O;YIPXTEBQCCJMPZ-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175883;MM175883;CCOC(N)=C(F)C#N;BICCMKIJXRGLRJ-UHFFFAOYSA-N;130.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175884;MM175884;C=CCC(C)=C(C)C=C;KWTDYYVORBQSTD-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175885;MM175885;C=CC(C)=C(C)CC=O;QNDNXDZOQLSVNR-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175886;MM175886;C=CC(C)=C(C)CC#N;WMKVWQTWLAXPHC-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175887;MM175887;C=CCC(C)=C(C)C=O;BSCQXHXGTHVJSV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175888;MM175888;C=CCC(C)=C(C)C#N;MXWOPHDMQRYJIQ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175889;MM175889;CC(C=O)=C(C)CC=O;IXSWFPRTHHJSIF-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175890;MM175890;CC(C#N)=C(C)CC=O;PLNZCUXJVZOFEE-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175891;MM175891;CC(C#N)=C(C)CC#N;GKUJQHQQUZOALI-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175892;MM175892;C=CCC(C)=C(F)C=C;BPNIPYCBPCRRPZ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175893;MM175893;C=CC(F)=C(C)CC=O;ZFWVSRNZCKHUJX-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175894;MM175894;C=CCC(C)=C(F)C=O;LOPVQMYUZJXUIQ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175895;MM175895;C=CCC(N)=C(C)C#N;OMOWOXNEEQINKP-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175896;MM175896;C=CCC(N)=C(F)C=O;GPCFOVSMCALBKY-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175897;MM175897;NC(CC=O)=C(F)C=O;VVYXJEPZJHRGBV-UHFFFAOYSA-N;131.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175898;MM175898;C=CCC(F)=C(C)C=C;RODWRMWBHHDXTD-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175899;MM175899;C=CC(C)=C(F)CC=O;DISYQCYECFUOSS-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175900;MM175900;C=CC(C)=C(F)CC#N;WFIYAWRGDRWBKA-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175901;MM175901;C=CCC(F)=C(C)C=O;OXINCYXPGJLSFF-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175902;MM175902;C=CCC(F)=C(C)C#N;WOGRZLMPHUNMGQ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175903;MM175903;CC(C#N)=C(F)CC=O;YCCWQVPHWVVORP-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175904;MM175904;C=CC(F)=C(F)CC#N;RERNKGCBZLZKMI-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175905;MM175905;N#CCC(F)=C(F)C=O;KMSQCMXODKJGEL-UHFFFAOYSA-N;131.08;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175906;MM175906;N#CCC(F)=C(F)C#N;ZCQKUPLMAOCWPY-UHFFFAOYSA-N;128.08;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175907;MM175907;C=CC(C)=C(C)NC=N;XRYLISBNFUGBOE-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175908;MM175908;C=CC(C)=C(C)NC=O;DYINHPRWHOHCHL-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175909;MM175909;CC(C=O)=C(C)N=CN;MQCKBBJWFVVNDZ-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175910;MM175910;CC(C=O)=C(C)NC=O;RGVZQUVAKYYPLL-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175911;MM175911;C=CC(F)=C(C)NC=O;KFJOYYYIDHNXQG-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175912;MM175912;CC(NC=N)=C(F)C#N;BHSSYZKATAPWNO-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175913;MM175913;CC(C=O)=C(N)N=CN;PTLQYIKZKIDSEM-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175914;MM175914;CC(C=O)=C(N)NC=O;YFCJDZMCGYZHFS-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175915;MM175915;COc1cc(F)c(N)[nH]1;XFXNKTNIVRHCCA-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175916;MM175916;N=c1nc(CO)n(O)o1;QOJDEOXUZGMQKP-UHFFFAOYSA-N;131.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175917;MM175917;CCC1CC1C(=O)NN;HHJGAODHJOONPX-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175918;MM175918;C=COC(C)=C(C)C=C;JMHHMZZZWSSVIJ-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175919;MM175919;C=COC(C)=C(C)C#N;ALLVPCIWGPUZBA-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175920;MM175920;CC(C#N)=C(C)OC=O;VYWQWQCRUWTRJA-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175921;MM175921;C=COC(C)=C(F)C=C;QAFAMTLMISWPGH-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175922;MM175922;C=COC(C)=C(F)C#N;LKFRYQDXPRVXLO-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175923;MM175923;C=COC(N)=C(C)C#N;XBEDJZAGXSVRIE-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175924;MM175924;C=COC(N)=C(F)C#N;LKENFGDKWFHINL-UHFFFAOYSA-N;128.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175925;MM175925;NC(OC=O)=C(F)C=O;KJEDVSAMXKLKIV-UHFFFAOYSA-N;133.08;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175926;MM175926;C#CCC(C)=C(C)C=C;FHJHQCKXQURIIX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175927;MM175927;C#CCC(C)=C(C)C=O;QOMYBOMHJCAARJ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175928;MM175928;C#CCC(C)=C(C)C#N;XLSVOCWJGMOAAB-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175929;MM175929;C#CCC(N)=C(C)C=O;VHAVSXYSMMGINA-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175930;MM175930;C#CCC(N)=C(C)C#N;OUCQXSFQWVNBMN-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175931;MM175931;C#CCC(F)=C(C)C=C;HRFJABLSBPJZMW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175932;MM175932;C#CCC(F)=C(C)C=O;TXFRESMCSGZTEY-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175933;MM175933;C#CCC(F)=C(C)C#N;PJHQEYJBTMZLGQ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175934;MM175934;C#CCC(F)=C(F)C=C;OOEPQMVQKDOQNM-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175935;MM175935;C#CC(C)=C(C)CCC;YYZDBPAAJKBAPL-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175936;MM175936;C#CC(C)=C(C)CCN;SZEUIRZEUXPWDA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175937;MM175937;CC1C(C)C1C(=O)NN;UICTXRJKVVWRFT-UHFFFAOYSA-N;128.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175938;MM175938;C#CC(C)=C(C)CCF;ZBJDQKDDIKDVQZ-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175939;MM175939;C#CC(C)=C(F)CCC;BWRGMBJSXJSCRS-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175940;MM175940;C#CC(C)=C(F)CCN;CHYVVYVWWPIMME-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175941;MM175941;C#CC(C)=C(F)CCF;SWADMAWXPYYBBP-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175942;MM175942;C#CC(F)=C(F)CCC;BIXLMFCAKOCNLZ-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175943;MM175943;C#CC(F)=C(F)CCN;JWRYVZXAICWXGC-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175944;MM175944;C#CC(F)=C(F)CCO;DOOWGHFIIGFNJQ-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175945;MM175945;C#CC(C)=C(C)COC;GTTMMHHFLXWDHM-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175946;MM175946;C#CC(F)=C(C)COC;KHRICOLYAWHARW-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175947;MM175947;C#CC(C)=C(F)COC;VGGMWPIYNTZQIJ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175948;MM175948;C#CC(F)=C(F)COC;HABVHSTWQAUOFC-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175949;MM175949;C#CC(C)=C(C)OCC;UDSZQKIXRZKPRY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175950;MM175950;C#CC(F)=C(C)OCC;KCBBCVKCSAIVBK-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175951;MM175951;C#CC(C)=C(C)CC=C;XYHPDKBZSJQRJI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175952;MM175952;C#CC(C)=C(C)CC=O;VFGFMKZNWXRAIB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175953;MM175953;C#CC(C)=C(C)CC#N;DBMNANLIDPTYQO-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175954;MM175954;C#CC(F)=C(C)CC=C;FOHVVUAKGFYINP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175955;MM175955;C#CC(C)=C(F)CC=C;YSGPWYQRHKCOPA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175956;MM175956;C#CC(C)=C(F)CC=O;DIHKHYUJJWNVET-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175957;MM175957;C#CC(C)=C(F)CC#N;VOJVRHBSYXWUNY-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175958;MM175958;C#CC(C)=C(C)NC=N;HKKQEBRKGHEHLT-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175959;MM175959;C#CC(F)=C(C)NC=N;QYHCFIZOQXPHOE-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175960;MM175960;C#CC(C)=C(C)OC=C;WLYULWGBCIQCJR-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175961;MM175961;C#CC(C)=C(C)OC=O;VIVUSXPJGIJPNO-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175962;MM175962;C#CC(F)=C(C)OC=C;UTZGAEZSQITAOY-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175963;MM175963;C#CCC(C)=C(C)C#C;PAMYSACYFDOECH-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175964;MM175964;C#CCC(C)=C(F)C#C;SKARCFYOXSNYDG-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175965;MM175965;C#CCC(F)=C(C)C#C;BLIISSGHJAKWDD-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175966;MM175966;CC=CC(C)=C(C)CC;OFVADOXAVIKMMT-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175967;MM175967;CCC(C)=C(C)C=CF;ALMAFVKUFAMALN-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175968;MM175968;CC=CC(C)=C(C)CN;BMYRDYJCFDVAQM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175969;MM175969;CC(C=CF)=C(C)CN;HWOJSJOCHMWMPQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175970;MM175970;CC1C(C)C1NNC=O;DTDYGBPXFYBPBE-UHFFFAOYSA-N;128.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175971;MM175971;C=C(C)CNNC(=O)CC;TZQJWQSQEDEGIA-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175972;MM175972;CC=CC(C)=C(C)CF;WAESHQWRTNNBKH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175973;MM175973;CC(C=CF)=C(C)CF;HFANIDKLAQQMPI-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175974;MM175974;CC=CC(C)=C(F)CC;UERIAZIPGLLSQZ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175975;MM175975;CC(C=CF)=C(F)CO;REMKMEQOVPPCFM-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175976;MM175976;CC(C=CF)=C(F)CF;FQLBDFKSLMMVNW-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175977;MM175977;CC=CC(F)=C(C)CC;XEYDDMYAIMODSH-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175978;MM175978;CCC(C)=C(F)C=CF;XJYHAOXYVNWZRQ-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175979;MM175979;CC=CC(F)=C(C)CN;BGEWLFLTUGBKPX-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175980;MM175980;CC(CN)=C(F)C=CF;YBBKTJGYRBPLFU-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175981;MM175981;CC=CC(F)=C(C)CO;DIBAYKMKRHHZAY-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175982;MM175982;CC(CO)=C(F)C=CF;RLPLHVXGJPMQGH-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175983;MM175983;CC=CC(F)=C(F)CC;RLGFAABCYKJINS-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175984;MM175984;CCC(C)=C(C)C=NN;UUSRWNNSFSTWOA-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175985;MM175985;C=CC(=O)NN(C)CCC;PRRJARYWWBAMQX-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175986;MM175986;CC(C=NO)=C(C)CN;CIMDVQFXJDERRA-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175987;MM175987;CC(C=NN)=C(C)CF;SDKCILSNHVPHSR-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175988;MM175988;CC(C=NO)=C(C)CF;ALHLQSJZADRQGV-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175989;MM175989;CC=CC(C)C(=O)NNC;KDCPRZFLAXQAGU-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175990;MM175990;C=CCN(CCC)NC=O;YTBDMCNVDJEYAC-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175991;MM175991;N=c1nc(F)cc(F)n1O;WANIVMPTFRUWDX-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175992;MM175992;CCC(F)=C(C)C=NN;BGIIOOYSZUVRNF-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175993;MM175993;CCC(F)=C(C)C=NO;KBLOAMFZAMOUGR-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175994;MM175994;CCC(C)=C(F)C=NN;CGUGWTUODBVYGW-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175995;MM175995;CCC(C)=C(F)C=NO;ZXKIIGRQCIOTTR-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175996;MM175996;CC(CF)=C(F)C=NN;JYSILPBIOKHVGZ-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175997;MM175997;CCC(F)=C(F)C=NN;WAFSTYDUPRHHBS-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175998;MM175998;N#CC#CCC(C=O)=NO;LWZKILQIFKARLT-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM175999;MM175999;CC=CC(C)=C(C)OC;PFQVTQNKTBCVRO-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176000;MM176000;COC(C)=C(C)C=CF;NMWPYBRTWLCDOY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176001;MM176001;CC=CC(F)=C(C)OC;CDAGHTNPFUUPKY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176002;MM176002;COC(C)=C(C)C=NN;NHNWSXWLNBMMNY-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176003;MM176003;COC(C)=C(F)C=NN;SDUYYSUKUGSBEO-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176004;MM176004;C=CC(C)=C(C)C=CC;MOIXOAVPMSEJHS-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176005;MM176005;C=CC(C)=C(C)C=CF;VVOFRIJEIZTFQU-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176006;MM176006;CC=CC(C)=C(C)C=O;RBOFEKDXLPBANS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176007;MM176007;CC=CC(C)=C(C)C#N;HDBWAQVAIKUOEA-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176008;MM176008;CC(C=O)=C(C)C=CF;ODFYDDDDXQSIAS-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176009;MM176009;CC(C#N)=C(C)C=CF;CKTAEDSYGGAUHE-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176010;MM176010;C=CC(F)=C(C)C=CC;LWXKOTVOQPXLPA-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176011;MM176011;C=CC(F)=C(C)C=CF;BRPZJFQVLMREEB-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176012;MM176012;CC=CC(C)=C(F)C#N;JWQJHXSZQGOBPQ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176013;MM176013;CC=CC(N)=C(C)C#N;DIXUKFMKXYPXSW-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176014;MM176014;CC=CC(N)=C(F)C=O;WAZUGDYLKNHRCH-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176015;MM176015;NC(C=CF)=C(F)C=O;NLIQIXMCYIAQPW-UHFFFAOYSA-N;133.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176016;MM176016;C=CC(C)=C(F)C=CC;KIJNQZYLJOLZJA-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176017;MM176017;CC(C=O)=C(F)C=CF;SQRFMZKVAKZVMI-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176018;MM176018;CC(C#N)=C(F)C=CF;DTDTURIGLHFKDG-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176019;MM176019;C=CC(F)=C(F)C=CC;MTZRXBWOMPQHIV-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176020;MM176020;N#CC(F)=C(F)C=CF;HOXFXAHUICXORM-UHFFFAOYSA-N;133.07;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176021;MM176021;C=CC(C)=C(C)C=NN;RYUYMFQPRWLASU-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176022;MM176022;CC=CCC(=O)NNCC;YMEIAAUKMYMLAO-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176023;MM176023;CC(C=O)=C(C)C=NO;NAAKVXZCELMUPM-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176024;MM176024;CC(C#N)=C(C)C=NO;MACGCUWCRZRZTK-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176025;MM176025;CC(C#N)=C(N)C=NO;ICZAEUWAEFAABD-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176026;MM176026;N=C(C=O)C(N)=CNO;XUIDHMVDDUQZMS-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176027;MM176027;N#CC(N)=C(N)C=NO;FJPXQLWNDLGYAL-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176028;MM176028;NC(C=NO)=C(F)C=O;KYJAHRXSAQKLFY-UHFFFAOYSA-N;132.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176029;MM176029;C=CC(C)=C(F)C=NN;HGHLYRGNYNSHOD-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176030;MM176030;C=CC(C)=C(F)C=NO;NZBDOGWEAAFWKV-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176031;MM176031;O=c1cnc(=NO)on1O;UQDYDBPICOZPLF-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176032;MM176032;N#CC(=O)CC(C=O)=NO;DWJPPXJXVZRXBY-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176033;MM176033;C#CC(C)=C(C)C=CC;IWYPMPWDJGXJIP-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176034;MM176034;C#CC(C)=C(C)C=CF;XJIBMGFZXAXDGX-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176035;MM176035;C#CC(F)=C(C)C=CC;YLUOXAHYKSSIAQ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176036;MM176036;C#CC(F)=C(C)C=CF;HOAXITCZNRXSDI-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176037;MM176037;C#CC(C)=C(F)C=CF;CGSTZRHJFHLDNH-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176038;MM176038;C#CC(F)=C(F)C=CC;VGGJWXVGYHGMPU-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176039;MM176039;C#CC(F)=C(F)C=CF;QCJXFCXLMPGDIR-UHFFFAOYSA-N;132.08;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176040;MM176040;C#CC(C)=C(C)C=NN;IXBPSPMCHVIPKZ-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176041;MM176041;C#CC(C)=C(C)C=NO;IEAUPWDVSMCWLI-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176042;MM176042;C#CC(C)=C(F)C=NN;RVCVODQWPRCMLI-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176043;MM176043;C#CC(F)=C(F)C=NN;IDPFYBPRWBJUAW-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176044;MM176044;On1ncnc2cnnc1-2;NRPYWCKNNRTMFU-UHFFFAOYSA-N;137.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176045;MM176045;CC#CC(C)=C(C)CC;CZUDLWLOOIPJGF-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176046;MM176046;CC#CC(C)=C(C)CN;ULGGUENDDBCEQG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176047;MM176047;CC#CC(C)=C(C)CO;NMORCVBNXBPPQF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176048;MM176048;CC#CC(C)=C(C)CF;CEVYHLCEQYVEQK-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176049;MM176049;CC#CC(C)=C(F)CC;YYFPTJNPJOGWKE-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176050;MM176050;CC#CC(C)=C(F)CO;XDFSJAUQHAUJTK-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176051;MM176051;CC#CC(C)=C(F)CF;HZUGWIIFWLAJRY-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176052;MM176052;CC#CC(F)=C(C)CC;LUMOQSXNHBKPLC-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176053;MM176053;CC#CC(F)=C(C)CO;KVJYADXLFVGKCL-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176054;MM176054;CC#CC(F)=C(C)CF;YTTVVXCGFPILBK-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176055;MM176055;CC#CC(F)=C(F)CC;FPDBYBHUTQEYCI-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176056;MM176056;CC#CC(F)=C(F)CO;UIKDBHGADDDEEZ-UHFFFAOYSA-N;132.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176057;MM176057;CC#CC(F)=C(F)CF;LFZNVLYCUQIIQH-UHFFFAOYSA-N;134.1;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176058;MM176058;CC#CC(C)=C(C)OC;SUCWAAAQHASOCI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176059;MM176059;CC#CC(F)=C(C)OC;JZZOKBSQNZFHET-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176060;MM176060;C=CC(C)=C(C)C#CC;JJWCQTACDZDPMG-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176061;MM176061;CC#CC(C)=C(C)C=O;FGCCEQDSDFNZED-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176062;MM176062;CC#CC(C)=C(C)C#N;RDJPRBZTFCXNNH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176063;MM176063;C=CC(F)=C(C)C#CC;PLYRZCGRGGSKLY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176064;MM176064;CC#CC(C)=C(F)C=O;IKSUSJGABJDWKX-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176065;MM176065;CC#CC(C)=C(F)C#N;JIHDFRCHHGPBQL-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176066;MM176066;CC#CC(N)=C(C)C=O;CPUBZSFIECQKSJ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176067;MM176067;CC#CC(N)=C(C)C#N;YUHRISQDJOOJDD-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176068;MM176068;CC#CC(N)=C(F)C#N;HVWVDCRJYBBZLZ-UHFFFAOYSA-N;124.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176069;MM176069;C=CC(C)=C(F)C#CC;BJIWPFLTGFDXMF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176070;MM176070;CC#CC(F)=C(C)C=O;NVRFNJPBYIKASQ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176071;MM176071;CC#CC(F)=C(C)C#N;IVZXPJYZBPVODM-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176072;MM176072;C=CC(F)=C(F)C#CC;QSEZMUYHUSYTLX-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176073;MM176073;CC#CC(F)=C(F)C=O;HJIMTGSLNOUNNX-UHFFFAOYSA-N;130.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176074;MM176074;CC#CC(F)=C(F)C#N;XAKMIGWYKIEIPZ-UHFFFAOYSA-N;127.09;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176075;MM176075;C#CC(C)=C(C)C#CC;PCRJEHJIVBLJRL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176076;MM176076;C#CC(F)=C(C)C#CC;OWWNGWFYIOPHGH-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176077;MM176077;C#CC(C)=C(F)C#CC;XTYKZCZLMUBNHD-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176078;MM176078;C#CC(F)=C(F)C#CC;ODVKTLUDTFJVMO-UHFFFAOYSA-N;126.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176079;MM176079;CCCCCC1(C)CC1;FFJCKIUJZMFGII-UHFFFAOYSA-N;126.24;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176080;MM176080;CC1(CCCCN)CC1;VIVVEHWXKLLJOH-UHFFFAOYSA-N;127.23;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176081;MM176081;C#CCNC(=O)N(N)C=O;DLVPNTUROWFXNV-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176082;MM176082;CC1(CCCCF)CC1;IZMXNDGXBPUACE-UHFFFAOYSA-N;130.21;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176083;MM176083;CCCCCC1(N)CC1;VJIJQMBCGHQQBG-UHFFFAOYSA-N;127.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176084;MM176084;NCCCCC1(N)CC1;CNFZBZNQJZSQFO-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176085;MM176085;NC1(CCCCO)CC1;AXUXCQJWVCFOCK-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176086;MM176086;NC1(CCCCF)CC1;GCPMCMDSUNBIML-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176087;MM176087;CC=CCN(CC)NC=O;UAGUGZXIKABIKM-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176088;MM176088;NCCCCC1(O)CC1;RLPQKNCXPQTVEN-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176089;MM176089;CC=NN=C(NO)NNC;FHHJSRMNBJRCKS-UHFFFAOYSA-N;145.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176090;MM176090;CCCCCC1(F)CC1;QFQSQDXMMLIHGS-UHFFFAOYSA-N;130.21;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176091;MM176091;NCCCCC1(F)CC1;XJJCRJOHCBIVII-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176092;MM176092;CC1C(CC(=O)NN)N1C;SFMYTNOCRYWEPN-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176093;MM176093;CNCCCC1(N)CC1;DBTVIQWIZHPNTK-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176094;MM176094;CNCCCC1(O)CC1;OZXNPFMHVCIAQD-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176095;MM176095;CNCCCC1(F)CC1;BMUCFMUGAIWZTP-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176096;MM176096;COCCCC1(C)CC1;CYJSBNKUVULVLY-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176097;MM176097;COCCCC1(O)CC1;BOZWNTVMKKUDDF-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176098;MM176098;COCCCC1(F)CC1;SPCDPAXRYUKMCS-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176099;MM176099;CCNCCC1(C)CC1;AIZPJGGNVJDIGK-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176100;MM176100;CCNCCC1(N)CC1;XUAIVQUQJUBPLW-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176101;MM176101;CCNCCC1(O)CC1;RZYQXSMKOWHLHN-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176102;MM176102;CCNCCC1(F)CC1;VVTKWSNDIWIFBH-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176103;MM176103;CCOCCC1(C)CC1;NXOFDTXZVXLRGC-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176104;MM176104;CCOCCC1(N)CC1;JEHCXZRRBSSPPX-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176105;MM176105;CCOCCC1(O)CC1;MHKPHXWFYDACET-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176106;MM176106;CCOCCC1(F)CC1;GNMPFPFHTYGVHU-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176107;MM176107;CCCNCC1(C)CC1;VFLKZIHOPBKEIQ-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176108;MM176108;CC1(CNCCN)CC1;KNVQAPDBSUTFGB-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176109;MM176109;CC1(CNCCO)CC1;ZUTLOOZPRCZTFK-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176110;MM176110;CCCNCC1(N)CC1;DDZMKPJFGZHBDW-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176111;MM176111;NCCNCC1(N)CC1;VKPZLUFWWWFYBN-UHFFFAOYSA-N;129.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176112;MM176112;NC1(CNCCO)CC1;RHCYJXUOFADONS-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176113;MM176113;CCCNCC1(O)CC1;WEJBGVGNVGHPQD-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176114;MM176114;NCCNCC1(O)CC1;BPCAOWPJDYEXSQ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176115;MM176115;OCCNCC1(O)CC1;AMXHIDKQAOOYBA-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176116;MM176116;NCCNCC1(F)CC1;URGTULHKFFCOQD-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176117;MM176117;CCCOCC1(C)CC1;SJQSILDXOJBWEP-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176118;MM176118;CC1(COCCN)CC1;OOSVPYPTKRZUMF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176119;MM176119;CC1(COCCO)CC1;BFLKREDWWPHXJL-UHFFFAOYSA-N;130.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176120;MM176120;CCCOCC1(N)CC1;OERJGSPBJQPFKU-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176121;MM176121;NCCOCC1(N)CC1;XTCRAIQTJHEIBN-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176122;MM176122;NC1(COCCO)CC1;LNKOCZZFLNHJPM-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176123;MM176123;CCCOCC1(O)CC1;BBEUFHBEKHMACK-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176124;MM176124;NCCOCC1(O)CC1;OKCMWFLDFFIFGL-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176125;MM176125;OCCOCC1(O)CC1;RLKVFZHBTAVEFF-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176126;MM176126;CCCOCC1(F)CC1;NFSGUIMEJZDTKL-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176127;MM176127;NCCOCC1(F)CC1;MOCVJPXVYVWPJS-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176128;MM176128;COCOCC1(N)CC1;REMWBMPBEQJMLV-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176129;MM176129;COCOCC1(O)CC1;LLTMYSSYEYBGRE-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176130;MM176130;COCOCC1(F)CC1;PEAHYINILOQHJI-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176131;MM176131;CCCCNC1(C)CC1;UGJTZDTXMHBDEV-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176132;MM176132;CC1(NCCCN)CC1;XIAMQDNEMNTOFI-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176133;MM176133;CC1(NCCCO)CC1;NGVURPJOAHEKAU-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176134;MM176134;CNCCNC1(C)CC1;JZAQDIRTQUABJM-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176135;MM176135;CCCCOC1(C)CC1;GOUBWFGGFRETFO-UHFFFAOYSA-N;128.22;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176136;MM176136;CC1(OCCCN)CC1;FZJVJCNAMJPUHZ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176137;MM176137;CC1(OCCCO)CC1;RISJEIURZYYMAK-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176138;MM176138;CNCCOC1(C)CC1;ACWPFPUBMNGZDL-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176139;MM176139;COCCOC1(C)CC1;BYMJKNFJXJNGHI-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176140;MM176140;CCOCOC1(C)CC1;NBJRIIGZXZPTNI-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176141;MM176141;CC1(CCCCN)CN1;YFMBJMUXKJAAGX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176142;MM176142;CNCCCC1(C)CN1;CLMOWZTYTAMAAF-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176143;MM176143;CCNCCC1(C)CN1;ZZOXEFGYSHTTNC-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176144;MM176144;CCCNCC1(C)CN1;OMFZQILXNYZHAH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176145;MM176145;CC1(CNCCN)CN1;IWQSRCSULXANBX-UHFFFAOYSA-N;129.21;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176146;MM176146;CC1(COCCN)CN1;PJQGSLXHZWPSDI-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176147;MM176147;CCCCCC1(C)CO1;SMSAOBIPMBKJOU-UHFFFAOYSA-N;128.22;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176148;MM176148;CC1(CCCCN)CO1;MJWIPPLRNZFJAT-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176149;MM176149;CN=c1nc(CO)n(O)o1;AGMOPWFPJQUQLF-UHFFFAOYSA-N;145.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176150;MM176150;CNCCCC1(C)CO1;SCJXXAYDZFOSMP-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176151;MM176151;CCNCCC1(C)CO1;GTURWWXIHNGWCF-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176152;MM176152;CCOCCC1(C)CO1;KNYSLSDBFZVNET-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176153;MM176153;CCCNCC1(C)CO1;UBLFPOGPQBYKRQ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176154;MM176154;CC1(CNCCN)CO1;VAYJTGKOFVKQIM-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176155;MM176155;CC1(CNCCO)CO1;DSFZZKDQSWKTOZ-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176156;MM176156;CCCOCC1(C)CO1;XHGGXXSLKVTYOH-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176157;MM176157;CC1(COCCN)CO1;QMKLOUUSZAPHQN-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176158;MM176158;CC1(COCCO)CO1;NTDXZMQEHOVGND-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176159;MM176159;CC1(COCCF)CO1;LDFSGJGZWHJPCP-UHFFFAOYSA-N;134.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176160;MM176160;COCOCC1(C)CO1;DJBXSNMSMILXIQ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176161;MM176161;C=CCCCC1(C)CC1;GZCITWPSLVHXCD-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176162;MM176162;CC1(CCCC=O)CC1;TVGPVZVCLIMOCJ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176163;MM176163;CC1(CCCC#N)CC1;PKUWTHBNVHXCST-UHFFFAOYSA-N;123.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176164;MM176164;C=CCCCC1(N)CC1;XXAAEYNSEPPIJQ-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176165;MM176165;NN=c1nc(CO)n(O)o1;BWKQJFXCBIOKTL-UHFFFAOYSA-N;146.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176166;MM176166;O=CC1(O)CC1CN1CC1;IRLJJLAWRJARJL-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176167;MM176167;CC1Nc2c1cn(N)c2O;WSOYPIZJSDRAEZ-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176168;MM176168;C=CCCCC1(F)CC1;KZJZENGZOSRJCO-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176169;MM176169;N#CCCCC1(F)CC1;VTORPKDQDIXTJP-UHFFFAOYSA-N;127.16;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176170;MM176170;CC1(CCNC=N)CC1;IVPNSYNXQMVHPB-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176171;MM176171;CCNNC(C)=O;UIWVQFSAXYWENY-UHFFFAOYSA-N;102.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176172;MM176172;N=CNCCC1(N)CC1;RIQWVOBGOWVVNA-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176173;MM176173;NC1(CCNC=O)CC1;ALJINAITJSLZFV-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176174;MM176174;N=CNCCC1(O)CC1;QPSBRXIHHNUTNN-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176175;MM176175;O=CNCCC1(O)CC1;RNMFLQBSKRTLCE-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176176;MM176176;N=CNCCC1(F)CC1;SXKCAOGSMPOZEL-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176177;MM176177;CCN(C)NC=O;SZTBOHXWIHFPPF-UHFFFAOYSA-N;102.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176178;MM176178;C=NNCCC1(C)CC1;FGDLCXPJFMFZDI-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176179;MM176179;C=NNCCC1(N)CC1;OBCWEQXPNWEISD-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176180;MM176180;CCC(=O)NNC;BUMQMCDLYZAZNA-UHFFFAOYSA-N;102.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176181;MM176181;C=NNCCC1(F)CC1;MSTWGFCQYCFPOB-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176182;MM176182;C=COCCC1(C)CC1;PIMDIVMBGBQXLD-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176183;MM176183;CC1(CCOC=O)CC1;QHFMWAYPADIMRY-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176184;MM176184;C=COCCC1(N)CC1;HKMRFUYPJVLAOE-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176185;MM176185;NC1(CCOC=O)CC1;XZDYOGCCCBSZIK-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176186;MM176186;C=COCCC1(O)CC1;VFJHTESZTXEIGN-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176187;MM176187;O=COCCC1(O)CC1;ZMHLISODSKHZAP-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176188;MM176188;C=COCCC1(F)CC1;NKQPMKHQFQFHPO-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176189;MM176189;O=COCCC1(F)CC1;NBNJHGNELBHODT-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176190;MM176190;C=NOCCC1(C)CC1;WAZWNEQYCMFOAU-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176191;MM176191;C=NOCCC1(N)CC1;KCVJGRCWWVRWJP-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176192;MM176192;Nc1cc(F)n[nH]1;NHAGRTARAUTNOB-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176193;MM176193;C=NOCCC1(F)CC1;WWOUSDDAQJFSCM-UHFFFAOYSA-N;131.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176194;MM176194;C=CCNCC1(C)CC1;GLOHPHXPKXRPAP-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176195;MM176195;CC1(CNCC=O)CC1;SVFYKSHDLLNNDZ-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176196;MM176196;CC1(CNCC#N)CC1;QPVBFMHCDBLJQA-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176197;MM176197;C=CCNCC1(N)CC1;CDVFVALEXZOLNP-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176198;MM176198;C=CCNCC1(O)CC1;CMRPLILTAKHVFN-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176199;MM176199;CC(C)NC(=O)NN;LFKPBYQABCKLDW-UHFFFAOYSA-N;117.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176200;MM176200;N#CCNCC1(F)CC1;WKSKTZCXLAKSON-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176201;MM176201;CC1(CNNC=N)CC1;VXRVNIHSVUVVNE-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176202;MM176202;C=NN(C)CC(O)C=O;RZAPSPGYCZCDEC-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176203;MM176203;N=CNNCC1(N)CC1;JXVUVYPHORKEDL-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176204;MM176204;NC1(CNNC=O)CC1;KBVCMAXLRIEAJG-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176205;MM176205;N=CNNCC1(O)CC1;IBYMJWBSNWZHQM-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176206;MM176206;CC1=NNC(C=O)C1O;YHUCTWUETBJTCR-UHFFFAOYSA-N;128.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176207;MM176207;CC(C(=O)NN)C1CC1;YPPHEJZCYVSCMX-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176208;MM176208;C=CCOCC1(C)CC1;FBSSRRZOCYFRMM-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176209;MM176209;CC1(COCC=O)CC1;NFWMMQVFISCEHX-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176210;MM176210;CC1(COCC#N)CC1;AWJZSCBDDVYEFS-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176211;MM176211;C=CCOCC1(N)CC1;ZZOTUTKGXCAFJL-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176212;MM176212;C=CCOCC1(O)CC1;AZMOBFPLNVHBER-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176213;MM176213;O=CCOCC1(O)CC1;VDWWHORPPNBZKP-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176214;MM176214;N#CCOCC1(O)CC1;CDUBPTZFFUIJDW-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176215;MM176215;C=CCOCC1(F)CC1;QJTSBTXAROCASS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176216;MM176216;O=CCOCC1(F)CC1;NPRJHEQXVYFHHY-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176217;MM176217;N#CCOCC1(F)CC1;KJELLVBNDFKTCA-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176218;MM176218;CC1(CONC=N)CC1;QSEYSCPDJQKMBZ-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176219;MM176219;CC1(CONC=O)CC1;AYKPYFIOEPXLQO-UHFFFAOYSA-N;129.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176220;MM176220;N=CNOCC1(N)CC1;ZUEUVSLCTCHYGW-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176221;MM176221;NC1(CONC=O)CC1;HVRUXZKSSRFUPD-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176222;MM176222;O=CNOCC1(O)CC1;SHEGEWUTAQTENF-UHFFFAOYSA-N;131.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176223;MM176223;N=CNOCC1(F)CC1;LVKUGCUYGUVAMZ-UHFFFAOYSA-N;132.14;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176224;MM176224;O=CNOCC1(F)CC1;SQKUOAARILCRQN-UHFFFAOYSA-N;133.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176225;MM176225;C=CCCNC1(C)CC1;NHKBIYRIQNXERK-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176226;MM176226;CC1(NCCC=O)CC1;QYVCVUUSQYXAGQ-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176227;MM176227;C=CCCOC1(C)CC1;VGTGVMWVSWFWNF-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176228;MM176228;CC1(OCCC=O)CC1;QTICLPFKXRWHMQ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176229;MM176229;CC1(OCCC#N)CC1;BPLSNAOWPQWSCM-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176230;MM176230;C=COCOC1(C)CC1;BDWXWLMGRHCHKU-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176231;MM176231;CC1(OCOC=O)CC1;SUFCGQZTDDQWSB-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176232;MM176232;C=NOCOC1(C)CC1;SDNMGVBZDMHOKM-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176233;MM176233;CC1(CCNC=N)CN1;CVKSGTSMFDRERS-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176234;MM176234;C=CCNCC1(C)CN1;OUZVAKWGVRNFIG-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176235;MM176235;CC1(CNNC=N)CN1;XDYQBGXLQKETLH-UHFFFAOYSA-N;128.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176236;MM176236;C=CCCCC1(C)CO1;VUBZGJQSJNPUEJ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176237;MM176237;CC1(CCCC=O)CO1;QDUOHJHWHKJNRL-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176238;MM176238;CC1(CCCC#N)CO1;IMIUDMHSEGZNKE-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176239;MM176239;CC1(CCNC=N)CO1;UBARXPAYQQQNOY-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176240;MM176240;CC(O)C(O)C=NN(C)C;WMJUHTOCIXUCAX-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176241;MM176241;C=NNCCC1(C)CO1;BBHVUQOHADYRGR-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176242;MM176242;C=COCCC1(C)CO1;RXAUYLXQLPRVSK-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176243;MM176243;CC1(CCOC=O)CO1;ICBZFBJCAROHFG-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176244;MM176244;C=NOCCC1(C)CO1;VUGHLQMUXIXSOV-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176245;MM176245;CC1(CNCC#N)CO1;HPAVNLKWQOIQPC-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176246;MM176246;CC1(CNNC=N)CO1;RVHKKVLKEAQIRC-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176247;MM176247;NN=CC(O)C=NOC=O;LRWVLQUYVXPSSP-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176248;MM176248;C=CCOCC1(C)CO1;MIPPIHKQEJITHO-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176249;MM176249;CC1(COCC=O)CO1;VLOLFOVUSFRXCC-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176250;MM176250;CC1(COCC#N)CO1;XAISFZRRQMFGPR-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176251;MM176251;CC1(CONC=N)CO1;AABRVGUZBCPBRV-UHFFFAOYSA-N;130.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176252;MM176252;CC1(CONC=O)CO1;JEZSFFFDOSDITE-UHFFFAOYSA-N;131.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176253;MM176253;C#CCCCC1(C)CC1;GSDRDUMXHDVNBJ-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176254;MM176254;COC(C)C=CC(=O)NN;JRHCVKKAWRPAOK-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176255;MM176255;C#CCCCC1(F)CC1;ZYDWIKAZNDLLLD-UHFFFAOYSA-N;126.17;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176256;MM176256;C#CCNCC1(C)CC1;LEALGIKCDFNPBW-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176257;MM176257;C#CCNCC1(N)CC1;XYIWHOBLDGNJOI-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176258;MM176258;C#CCNCC1(O)CC1;DADJWEBWGTVXGN-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176259;MM176259;C#CCOCC1(C)CC1;LJWFRNRKNYXMEC-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176260;MM176260;C#CCOCC1(O)CC1;WHDCKUCALUHTMR-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176261;MM176261;C#CCOCC1(F)CC1;DEYBYPXACBEJCG-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176262;MM176262;C#CCCNC1(C)CC1;ZDCPTAQOFHTLIG-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176263;MM176263;C#CCCOC1(C)CC1;IHGWLQIPCCQJQY-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176264;MM176264;C#CCCCC1(C)CO1;DYDYVFANSWNCFI-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176265;MM176265;C#CCOCC1(C)CO1;MXILOSRYRFEBFI-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176266;MM176266;CC=CCCC1(C)CC1;VCLAAYOLQRYSHM-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176267;MM176267;CC1(CCC=CF)CC1;YVIUYXPKVHTQFP-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176268;MM176268;CC=CCCC1(N)CC1;SQMPPJUNSWFMKF-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176269;MM176269;NC1(CCC=CF)CC1;XUJQDIUYZYHFRJ-UHFFFAOYSA-N;129.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176270;MM176270;NN=C1C=CC(O)(CF)C1;LBHJXDGJXYEHPH-UHFFFAOYSA-N;144.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176271;MM176271;CC=CCCC1(F)CC1;JQTQFSKGVKLIHC-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176272;MM176272;CC1(CCC=NN)CC1;OYKPBMNUJQPZHL-UHFFFAOYSA-N;126.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176273;MM176273;CC1(CCC=NO)CC1;PWUTYUKRMGTTCM-UHFFFAOYSA-N;127.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176274;MM176274;NC1(CCC=NO)CC1;YIFQLMZCDJDIDE-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176275;MM176275;C=NN(CC)CC(O)C=O;LEBVMJVYSVKEFL-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176276;MM176276;ON=CCCC1(O)CC1;FVCBEQIEBSABIN-UHFFFAOYSA-N;129.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176277;MM176277;NN=CCCC1(F)CC1;DRGZBKXEAQDSDT-UHFFFAOYSA-N;130.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176278;MM176278;ON=CCCC1(F)CC1;FIEJUEGOJZBCKO-UHFFFAOYSA-N;131.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176279;MM176279;CC1(CN=CNN)CC1;NNWDVEDIQOJMRK-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176280;MM176280;NC1(CN=CNO)CC1;QUYXKDFDNCBTBK-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176281;MM176281;CN=CNCC1(O)CC1;ZSPAKCAGXUWWNT-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176282;MM176282;CN=CNCC1(F)CC1;LJHBJRSQCIVAIJ-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176283;MM176283;CC=NNCC1(C)CC1;COGNKKVUMSSSCC-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176284;MM176284;CNC(N)=C(C)C(=O)NN;KDSQDACGRFVXRC-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176285;MM176285;CC=COCC1(C)CC1;XDNXTZLJOBDKRQ-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176286;MM176286;CC1(COC=CF)CC1;MJECXSVGKHRYLK-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176287;MM176287;CC=COCC1(N)CC1;ICPWAMXMSZORRT-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176288;MM176288;CC=COCC1(O)CC1;YVBUOQXFTMOLOV-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176289;MM176289;CC=COCC1(F)CC1;LDEPTMFTIDIDKA-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176290;MM176290;FC=COCC1(F)CC1;WDJDPNSAPDWVGC-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176291;MM176291;CNN=CC(O)C=NOC;NGKOQESTYUHOOZ-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176292;MM176292;CC1(COC=NO)CC1;ROGPPIQBLRJQPL-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176293;MM176293;C=CC1NC(=O)N(N)C1=C;WHBSZSPHFXLOGX-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176294;MM176294;CC=NOCC1(C)CC1;LFNJTOQQQLGJAW-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176295;MM176295;CC=NOCC1(N)CC1;XYSISCIOQYGCHC-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176296;MM176296;CC12OC(NN)=NC1C2O;NMTXLUCDBVAICH-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176297;MM176297;CC=CCNC1(C)CC1;MBGLAVYYPZSYLW-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176298;MM176298;CC1(NCC=CF)CC1;DVRGYBSZILFXMI-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176299;MM176299;CN=CNNC1(C)CC1;DWHCAXUUIHIFOA-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176300;MM176300;CC=CCOC1(C)CC1;YXFZVVKWOCROTO-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176301;MM176301;CC1(OCC=CF)CC1;ZSQSPXFAIIKSEJ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176302;MM176302;CC1(OCC=NN)CC1;ZIUYGBIZDUQOFV-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176303;MM176303;CC1(OCC=NO)CC1;DWVFDGBNCITJCE-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176304;MM176304;CN=CNOC1(C)CC1;CTFYBQIWARMLHL-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176305;MM176305;CN=CNCC1(C)CN1;AWDXLSDGDNCRJA-UHFFFAOYSA-N;127.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176306;MM176306;CC=NOCC1(C)CN1;RGRGGWYBSLGYGA-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176307;MM176307;CC=CCCC1(C)CO1;ONUYOAKNCWLNPU-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176308;MM176308;CC1(CCC=CF)CO1;RMQXBHYACZEOHN-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176309;MM176309;CC1(CCC=NN)CO1;DBSJJMKDPPMDPT-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176310;MM176310;CN=CNCC1(C)CO1;FVFLQUWRUXQQDS-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176311;MM176311;C=CC#Cc1cc(C)n[nH]1;QGFRCLODGCAMQT-UHFFFAOYSA-N;132.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176312;MM176312;CC=COCC1(C)CO1;KYWPZYASWQVVJQ-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176313;MM176313;C=Cc1nc(C#CC)c[nH]1;NPDADYRXLFNPGG-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176314;MM176314;CC1(COC=NO)CO1;DGLLJQCRBSAHLT-UHFFFAOYSA-N;131.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176315;MM176315;CC=NOCC1(C)CO1;QJDMUCXKUYWEFC-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176316;MM176316;CC#CCCC1(C)CC1;OUKXTKWZZHJWIS-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176317;MM176317;CC#CCCC1(N)CC1;YWLYGRQNFWJBEL-UHFFFAOYSA-N;123.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176318;MM176318;CC#Cc1cc(CC)n[nH]1;DTOYNMRIAWPRRS-UHFFFAOYSA-N;134.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176319;MM176319;CC#CCCC1(F)CC1;JPLFHQCLDABZCU-UHFFFAOYSA-N;126.17;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176320;MM176320;CC#CCNC1(C)CC1;RAVMUNFVGOUPIO-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176321;MM176321;CC#CCOC1(C)CC1;NYBKNBVQEURRRR-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176322;MM176322;CC#CCCC1(C)CO1;GFPLRDPQVDPXTB-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176323;MM176323;CCC1C(C)C1(C)CC;UMWGERVPGOCSCZ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176324;MM176324;CCC1(C)C(C)C1CN;XLAWYLDEYCMJIV-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176325;MM176325;C=CC(=O)NNC;HVPWCXPBVJEMKK-UHFFFAOYSA-N;100.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176326;MM176326;CC1C(CO)C1(C)CO;NLYCWIFQKCGIHZ-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176327;MM176327;CC1C(CO)C1(C)CF;NPTBKGJHRACMMX-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176328;MM176328;CCC1C(N)C1(C)CC;CDUAFPJUPJNDIW-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176329;MM176329;CCC1C(N)C1(C)CN;LZBMDHPRHTYBDV-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176330;MM176330;CCC1C(N)C1(C)CO;LZAOZGCKZLDCCI-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176331;MM176331;CC1(CO)C(N)C1CN;YWKLIZCRTYQEDM-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176332;MM176332;CC1(CO)C(N)C1CO;ZRAJHUQFAKQRRI-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176333;MM176333;CC1(CO)C(N)C1CF;SFNDKDNRITZMSG-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176334;MM176334;CCC1C(N)C1(C)CF;ZASMPFMIUQRVSS-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176335;MM176335;CC1(CF)C(N)C1CN;RPTVPGMMEXTDQI-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176336;MM176336;CC(O)C(O)C=NN;OCAFNPUTWWWTAL-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176337;MM176337;CCC1(C)C(O)C1CN;ZPEJBEXQBYJBSK-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176338;MM176338;CCC1C(O)C1(C)CN;TWEWCSOILCZZTA-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176339;MM176339;CCC1C(C)C1(N)CC;LCZFPPZDEWRNMW-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176340;MM176340;CCC1(N)C(C)C1CN;URBWWBGIWZPNIJ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176341;MM176341;CCC1(N)C(C)C1CO;FIVOAYGLJAVFNU-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176342;MM176342;CCC1(N)C(C)C1CF;UCMRCIIIPMNKSF-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176343;MM176343;CCC1C(C)C1(N)CN;VLHWJIXVCUQDMW-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176344;MM176344;CC1C(CN)C1(N)CN;HJVHWRUKCVHBPB-UHFFFAOYSA-N;129.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176345;MM176345;CC1C(CO)C1(N)CN;JSLSAIFWDIPSDH-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176346;MM176346;CC1C(CF)C1(N)CN;IJWBPLYPWRKNPK-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176347;MM176347;CCC1C(C)C1(N)CO;IHHRCWCNLNBOFF-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176348;MM176348;CC1C(CN)C1(N)CO;KKMVESCWXKWWJX-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176349;MM176349;CC1C(CO)C1(N)CO;GBNOGUHPTUNPCY-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176350;MM176350;CCC1C(C)C1(N)CF;IYQQBCGYIPMRLP-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176351;MM176351;CC1C(CO)C1(N)CF;ZOWUQNOGALBTKC-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176352;MM176352;CCC1C(N)C1(N)CC;NNVNHRPSYZTUKQ-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176353;MM176353;CCC1(N)C(N)C1CO;YOTCVRJMMIISTH-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176354;MM176354;CCC1(N)C(N)C1CF;MMNRTXJVYMGKIE-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176355;MM176355;CCC1C(O)C1(N)CC;VPBARTHRZYHLHU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176356;MM176356;CCC1C(F)C1(N)CC;PXHXKJRQNNMATO-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176357;MM176357;C=NNCC(O)C=O;KIZHDXJWECAXLV-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176358;MM176358;CCC1(O)C(C)C1CN;BRNBYZYUOPVKIG-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176359;MM176359;CCC1(O)C(C)C1CO;KXXLCMFHQFPHPP-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176360;MM176360;CCC1(O)C(C)C1CF;AWDCCYAQYVGUNO-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176361;MM176361;CCC1C(C)C1(O)CN;APTPISJQUUYHSY-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176362;MM176362;CC1C(CN)C1(O)CN;DVNDAFWVOICHRX-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176363;MM176363;CC1C(CO)C1(O)CN;MZQHMYWLKHUEJM-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176364;MM176364;CC1C(CN)C1(O)CO;CLNXQAQILFYJRO-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176365;MM176365;CC1C(CO)C1(O)CO;CGGZXKUZGZBEGF-UHFFFAOYSA-N;132.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176366;MM176366;CCC1C(N)C1(O)CC;DDFKAIFEKYVCAW-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176367;MM176367;CCC1(O)C(N)C1CF;BSKFVJOJBRZSPY-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176368;MM176368;CCC1C(C)C1(F)CC;XJHAXXWRKUCQHE-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176369;MM176369;CCC1(F)C(C)C1CF;NEZANDFEGQVNOE-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176370;MM176370;CC1C(CN)C1(F)CN;ODRWDVXZXFYOQI-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176371;MM176371;NCC1C(N)C1(F)CN;MMLFERIOHYCCJX-UHFFFAOYSA-N;133.17;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176372;MM176372;CCC1(C)C(C)C1NC;LLKAMQTZIVZHBB-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176373;MM176373;CNC1C(C)C1(C)CN;VXOZMELGRTXHCT-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176374;MM176374;CNC1C(C)C1(C)CO;SMBCCSOIYCSFFH-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176375;MM176375;CCC1(N)C(C)C1NC;UWHJJFRSEMHNHW-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176376;MM176376;CNC1C(C)C1(N)CO;BZUPPPDDWAAXEG-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176377;MM176377;CNC1C(C)C1(N)CF;UCKJPJBBECEWLU-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176378;MM176378;CCC1(N)C(N)C1NC;RPNDURWOWMIBIQ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176379;MM176379;CCC1(O)C(C)C1NC;RCNGOYFTUNBQCB-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176380;MM176380;CCC1(C)C(C)C1OC;PEMXTTRMAONLSR-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176381;MM176381;COC1C(C)C1(C)CO;YBGAKQRJMUIDGR-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176382;MM176382;COC1C(C)C1(C)CF;TZMIVJOJOHYFFB-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176383;MM176383;COC1C(N)C1(C)CO;XBAWUOFUBJMEGX-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176384;MM176384;CCC1(N)C(C)C1OC;KYUDHIAJKYDELF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176385;MM176385;CCC1(N)C(N)C1OC;XLJSRFVVBJSSBH-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176386;MM176386;CCC1(O)C(C)C1OC;JSKHDIXILYBVSD-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176387;MM176387;COC1C(C)C1(O)CN;VUDZWWCEWWLQDU-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176388;MM176388;COC1C(C)C1(O)CO;VTHNNBHTDXNGKT-UHFFFAOYSA-N;132.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176389;MM176389;COC1C(C)C1(O)CF;FYLJKZPMWUGWNM-UHFFFAOYSA-N;134.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176390;MM176390;CCC1C(C)C1(C)NC;OXOQPANFLOCANY-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176391;MM176391;CNC1(C)C(C)C1CO;CEJVKUMRSMMDIL-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176392;MM176392;CNC1(C)C(C)C1CF;SUCFJSKNEOTNAM-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176393;MM176393;CCC1C(N)C1(C)NC;HKSYGNCHDMIWDZ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176394;MM176394;CNC1(C)C(N)C1CN;MMZGVKWQQVDJRN-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176395;MM176395;CNC1(C)C(N)C1CO;MDAAQIYYXLABBV-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176396;MM176396;CNC1(C)C(N)C1CF;OKSKJRNTLWMWMF-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176397;MM176397;CCC1C(O)C1(C)NC;CNYCXHHRSYLCQQ-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176398;MM176398;CNC1(C)C(O)C1CN;FXHLUUGFQQYTLM-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176399;MM176399;CNC1C(C)C1(C)NC;XSFNUHDUZMNUQA-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176400;MM176400;CNC1(C)C(N)C1OC;CWLZERYJJQUZSQ-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176401;MM176401;CCC1C(C)C1(C)OC;MZNWDDOQGAIOOF-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176402;MM176402;CCC1C(N)C1(C)OC;SNLZMIXEIQWFMQ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176403;MM176403;CCC1(C)C(CN)N1C;CVIXYEQKJZJBDO-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176404;MM176404;CCN1C(C)C1(C)CN;ZTCDNMLQLMJCLQ-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176405;MM176405;CCN1C(C)C1(C)CF;YLRIYZVRULSCFF-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176406;MM176406;C=CC1C(C)C1(C)CC;UYJMZDXNAJJLMP-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176407;MM176407;CCC1(C)C(C)C1C=O;QBHUPMNHEYEAKQ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176408;MM176408;CCC1(C)C(C)C1C#N;XLNGLEWYEDHECY-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176409;MM176409;CCCNC(=O)NN;JVQWYTBVNPMEAH-UHFFFAOYSA-N;117.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176410;MM176410;CC1C(C=O)C1(C)CO;OBVCSVIVXLQYNF-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176411;MM176411;CC1C(C#N)C1(C)CO;NKVJEGSTCSZEAX-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176412;MM176412;C=CC1C(C)C1(C)CF;NTCFVFBOASRHCI-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176413;MM176413;C=CC1C(N)C1(C)CO;QTEOYGFJETYCDU-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176414;MM176414;C=CC1C(N)C1(C)CF;SMXPFTLVQSXXQC-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_C4";;;;;;;2.2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176415;MM176415;CCC1(C)C(O)C1C#N;TWHWJBTXDZHKPR-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176416;MM176416;C=CC1C(O)C1(C)CF;ATBTYGRIJAAUTR-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176417;MM176417;C=CC1C(C)C1(N)CC;ZZWHMDCIQSHYGJ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176418;MM176418;C=CC1C(C)C1(N)CN;CKTJCRZEVVABFS-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176419;MM176419;C=CC1C(C)C1(N)CO;QNXGZGFAYPBDRB-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176420;MM176420;C=CC1C(N)C1(N)CC;UPHAQZVEOLHCHU-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176421;MM176421;C=CC1C(N)C1(N)CN;PZVHXIJYSIUDGS-UHFFFAOYSA-N;127.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176422;MM176422;C=CC1C(O)C1(N)CC;HAKSFDNLXWARDJ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176423;MM176423;C#CC1=NNCC1O;LSDFFERJRFQJJP-UHFFFAOYSA-N;110.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176424;MM176424;CCC1(O)C(C)C1C=O;LNEGGCRITRNHEB-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176425;MM176425;CCC1(O)C(C)C1C#N;CVSGTTXNEAPIIV-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176426;MM176426;C=CC1C(C)C1(O)CN;ASSZGFMCBYNZRZ-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176427;MM176427;C=CC1C(C)C1(O)CO;JRUUUIZYNAHEIM-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176428;MM176428;CC1C(C#N)C1(O)CO;FDKGXBMJCYPBEL-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176429;MM176429;CCC1(F)C(C)C1C=O;SABYGTQJXKDVPH-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176430;MM176430;CCC1(F)C(C)C1C#N;HXVSKNNFTRNXOQ-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176431;MM176431;CNC1(C)C(C)C1C=O;LQGOKQFATWZXIR-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176432;MM176432;C=CC1C(N)C1(C)NC;MWWPQPGAUBUWBI-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176433;MM176433;C=CC1C(O)C1(C)NC;VRNLIUWZDCPCFV-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176434;MM176434;CCC1(C)C(C)N1C=N;KIXSQYUASPWYLE-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176435;MM176435;CCC1(C)C(C)N1C=O;GXJCWMCHMSDAJX-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176436;MM176436;CC1N(C=N)C1(C)CN;RHEYCWSQVWSHMB-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176437;MM176437;CC1N(C=O)C1(C)CN;HYAUTRZXMLWNHT-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176438;MM176438;CC1N(C=N)C1(C)CO;RFXKLZWIMDQCEB-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176439;MM176439;C=NN1C(C)C1(C)CC;KIWBOVBVOIQLLD-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176440;MM176440;C=NN1C(C)C1(C)CF;HTRXTOOQXODHMY-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176441;MM176441;C#CC1C(C)C1(C)CC;JTHKAFFYXZOPGO-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176442;MM176442;C#CC1C(C)C1(C)CN;QPXXOUKUWAHLNQ-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176443;MM176443;CNN=CC(O)C(C)O;BJNNULPCQWOPFS-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176444;MM176444;C#CC1C(C)C1(C)CF;MHFUBDCVUZFWSJ-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176445;MM176445;C#CC1C(N)C1(C)CC;MXNLOEBCRWFAKB-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176446;MM176446;C#CC1C(N)C1(C)CO;HWJMKUFEFGOIAN-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176447;MM176447;C#CC1C(O)C1(C)CN;POVHJEMSUBZOQN-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176448;MM176448;C#CC1C(C)C1(N)CC;DRPMPBPFVDEKKC-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176449;MM176449;C#CC1C(C)C1(N)CN;NIGLLEUSEHVCCT-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176450;MM176450;C#CC1C(N)C1(N)CC;OAJUNEYFAXSCTP-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176451;MM176451;C#CC1C(N)C1(N)CO;GIULMMJNVHMXBZ-UHFFFAOYSA-N;126.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176452;MM176452;CC=NNCC(O)C=O;YUKMJPMRIRGIRU-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176453;MM176453;C#CC1C(C)C1(O)CN;ZWIBFGXBQLXTKZ-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176454;MM176454;C#CC1C(C)C1(O)CF;QHGBJMCIQXNZLT-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176455;MM176455;C#CC1C(N)C1(O)CO;HDQWPDNRWDSMLN-UHFFFAOYSA-N;127.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176456;MM176456;C#CC1C(C)C1(F)CC;NTUGELVCZOMZJJ-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176457;MM176457;C#CC1C(C)C1(C)NC;WICCTZDIJHUVMJ-UHFFFAOYSA-N;123.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176458;MM176458;C#CC1C(N)C1(C)NC;IUJKMSFMYZYQBN-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176459;MM176459;C#CC1N(C)C1(C)CN;MVMYGMFMFSFSDH-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176460;MM176460;C=C(C(=O)NN)C1CC1;XYRNZZQTUCWUME-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176461;MM176461;C=CC1(C)C(C)C1CC;MQVIFKXJLZOXSX-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176462;MM176462;C=CC1(C)C(C)C1CN;BHADWYMSTDNRHQ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176463;MM176463;C=C(C)CCOC(=O)NN;SZEHXMBZUIGPCA-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176464;MM176464;C=CC1(C)C(C)C1CF;XIEQIIHQLRNIIE-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176465;MM176465;CCC1C(C)C1(C)C=O;ZDUXTWXOSPGQMM-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176466;MM176466;CCC1C(C)C1(C)C#N;FRUHXMRDCRREFM-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176467;MM176467;CC1C(CO)C1(C)C=O;ZPRBUBVPRWEFJC-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176468;MM176468;C=CC1(C)C(N)C1CC;OXHOKVMAIDOHHK-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176469;MM176469;C=CC1(C)C(N)C1CN;BHESTAMTCBGDGQ-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176470;MM176470;CCC1C(O)C1(C)C#N;GYKGHBRYOHVXPU-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176471;MM176471;C=CC1(N)C(C)C1CC;IZRKTPYICBHPDH-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176472;MM176472;C=CC1(N)C(C)C1CN;AJSMAGVOHZHITN-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176473;MM176473;C=CC1(N)C(C)C1CO;XPIKGYPAZOWHAR-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176474;MM176474;C=CC1(N)C(C)C1CF;UIGKKTNVSFFODL-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176475;MM176475;C=CC1(N)C(N)C1CC;WIIGGDKQVLVZMT-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176476;MM176476;C=CC1(N)C(N)C1CN;JAVFCBOXOJRDGX-UHFFFAOYSA-N;127.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176477;MM176477;C=CC1(N)C(O)C1CC;IEKJADLNRLDEKM-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176478;MM176478;C=CC1(N)C(O)C1CO;MAPBYOSJJULPQG-UHFFFAOYSA-N;129.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176479;MM176479;C=CC1(N)C(O)C1CF;GLPMPLBLNPLDMB-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176480;MM176480;C=CC1(N)C(F)C1CN;KCLWJZPNHZEYJD-UHFFFAOYSA-N;130.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176481;MM176481;CC(C)=NNCC(O)C=O;HYJUXQGCOSMDGT-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176482;MM176482;C=CC1(O)C(C)C1CN;PLHFMSRFMDWJSS-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176483;MM176483;C=CC1(O)C(C)C1CO;ACVYUQAQAZGJGH-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176484;MM176484;CCC1C(C)C1(O)C=O;MUXWPIOIHZLRJV-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176485;MM176485;CCC1C(C)C1(O)C#N;CDUDCELAAWARCI-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176486;MM176486;CC1C(CO)C1(O)C=O;APDYVMVCUKWJTM-UHFFFAOYSA-N;130.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176487;MM176487;CC1C(CO)C1(O)C#N;HNUTUUZQJGPBBC-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176488;MM176488;CC1C(CF)C1(O)C=O;IACFCOBGJIWAMG-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176489;MM176489;C=CC1(O)C(N)C1CN;NYZVLEFMNIKGBJ-UHFFFAOYSA-N;128.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176490;MM176490;C=CC1(O)C(N)C1CF;NETOMATZTDXCNE-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176491;MM176491;C=CC1(O)C(O)C1CN;GXJWJBROQHFNLN-UHFFFAOYSA-N;129.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176492;MM176492;C=CC1(O)C(O)C1CO;GOASOEBJMDJDSJ-UHFFFAOYSA-N;130.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176493;MM176493;CCC1C(O)C1(O)C#N;NHNQAQJYXRQXKY-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176494;MM176494;C=CC1(F)C(C)C1CC;HEBYIYBQHAPELY-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176495;MM176495;C=CC1(F)C(C)C1CN;IKYNGDRTSHFWMG-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176496;MM176496;C=CC1(F)C(C)C1CO;AAUNWGZCWTYCOI-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176497;MM176497;C=CC1(F)C(C)C1CF;BTPREJBYKCXDAD-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176498;MM176498;CCC1C(C)C1(F)C#N;DSUIFWADPUAFJW-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176499;MM176499;CC1C(CO)C1(F)C=O;DQNFPTGKQCKTHD-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176500;MM176500;C=CC1(F)C(N)C1CC;UMTYADVEYKCBON-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176501;MM176501;C=CC1(C)C(C)C1NC;VUZAKMCZQIJRQA-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176502;MM176502;CNC1C(C)C1(C)C=O;JCECCBNXUHDDNT-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176503;MM176503;C=CC1(C)C(N)C1NC;ICOQYMDKTNHUDB-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176504;MM176504;C=CC1(C)C(O)C1NC;OOJKOURQAHMOHC-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176505;MM176505;C=CC1(N)C(C)C1NC;PVCFBOSXIADRQX-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176506;MM176506;C=CC1(N)C(O)C1NC;OUUXLFYIUQDNDL-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176507;MM176507;C=CC1(O)C(C)C1NC;KFBDMOMVQNWXDX-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176508;MM176508;CNC1C(C)C1(O)C=O;YJAARRNRKZJGAC-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176509;MM176509;C=CC1(O)C(N)C1NC;FLRDQCHSRKBWER-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176510;MM176510;C=CC1(O)C(O)C1NC;UFDTWVSQKZKFDY-UHFFFAOYSA-N;129.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176511;MM176511;C=CC1(F)C(C)C1NC;BLXNVBXROYGGMF-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176512;MM176512;CNC1C(C)C1(F)C#N;BNPKPZLJNIGPCS-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176513;MM176513;C=CC1(C)C(C)C1OC;UJBFHCLBGJYASI-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176514;MM176514;C=CC1(C)C(N)C1OC;XZCBMMVMRRJNDS-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176515;MM176515;C=CC1(C)C(O)C1OC;QCMGWCVBNTVOIU-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176516;MM176516;C=CC1(N)C(C)C1OC;UJZYDROVHJCXEQ-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176517;MM176517;C=CC1(N)C(N)C1OC;UBNADUDTOZUCOL-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176518;MM176518;C=CC1(O)C(C)C1OC;DGGBWYAXERPWBH-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176519;MM176519;C=CC1(O)C(N)C1OC;LCSMSLIZQPCDQX-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176520;MM176520;C=CC1(F)C(C)C1OC;XXKTVTYQJVAKAY-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176521;MM176521;COC1C(C)C1(F)C#N;HWDVBIMHXLZVBU-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176522;MM176522;C=CC1(C)C(CN)N1C;BNJJGOSIAZZPCW-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176523;MM176523;C=C(F)C(O)CNCC#N;QDYUAYSNNVZEOD-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176524;MM176524;C=CC1(C)C(CF)N1C;LGERUFRZZXEMLX-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176525;MM176525;CCC1N(C)C1(C)C#N;IBHPYMWQJHMEPC-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176526;MM176526;C=CC(=O)NNC(C)C=C;UUKVGWRCUHWLMJ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176527;MM176527;CCN1C(C)C1(C)C=O;PNWXDJBLEXFSOX-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176528;MM176528;CCN1C(C)C1(C)C#N;MPKFXBBZGNCYEE-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176529;MM176529;C=CC1C(C)C1(C)C=C;QOZSXABYHOZBPK-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176530;MM176530;C=CC1(C)C(C)C1C=O;DYCRMCLGYPOTJD-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176531;MM176531;C=CC1(C)C(C)C1C#N;DDCYWSRGORTKNV-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176532;MM176532;C=CC1C(C)C1(C)C=O;MZUSXDVDAVJAPA-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176533;MM176533;C=CC1C(C)C1(C)C#N;SGTKECOKLMVQKX-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176534;MM176534;CC1C(C#N)C1(C)C=O;MWSSMCKKDLCOCN-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176535;MM176535;CC1C(C=O)C1(C)C#N;RMJCFZZYFISCMJ-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176536;MM176536;CC1C(C#N)C1(C)C#N;PGFAXHACPVOKGE-UHFFFAOYSA-N;120.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176537;MM176537;C=CC1C(N)C1(C)C=C;PTUNAXMSLLTUAH-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176538;MM176538;C=CC1C(O)C1(C)C=O;ORHNHOOURUQQQX-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176539;MM176539;C=CC1C(C)C1(N)C=C;WYBOYKXWNKPFGO-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176540;MM176540;C=CC1C(O)C1(N)C=C;UCFNMPUHPWPBJI-UHFFFAOYSA-N;125.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176541;MM176541;CCNNC(=O)C=CNC;UKBAISJXXNWIGM-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176542;MM176542;C=CC1(O)C(C)C1C=O;XRXLMBLOUJVWDT-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176543;MM176543;C=CC1(O)C(C)C1C#N;SKDMPVRTGQOUNM-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176544;MM176544;C=CC1C(C)C1(O)C=O;DBWMRICFZPYLMO-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176545;MM176545;C=CC1C(C)C1(O)C#N;CDLKMKYQIWNOPY-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176546;MM176546;CC1C(C=O)C1(O)C=O;VIIJHUWTXAFEBN-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176547;MM176547;CC1C(C#N)C1(O)C=O;CGRSMJKLGVSULZ-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176548;MM176548;CC1C(C=O)C1(O)C#N;ULYQQAOCGYEAKF-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176549;MM176549;CC1C(C#N)C1(O)C#N;NHLVZYQCECYPHS-UHFFFAOYSA-N;122.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176550;MM176550;C=CC1(O)C(O)C1C#N;FGLLIEONSMFKQV-UHFFFAOYSA-N;125.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176551;MM176551;C=CC1C(C)C1(F)C=C;AYGHVXJAEHJCFI-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176552;MM176552;C=CC1(F)C(C)C1C=O;LVLLOQHFOLAIQL-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176553;MM176553;C=CC1(F)C(C)C1C#N;OQCMOVQFHBUZNK-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176554;MM176554;C=CC1C(C)C1(F)C=O;XIGRLEPADZBRIK-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176555;MM176555;C=CC1C(C)C1(F)C#N;WBICAHBNPCJCNL-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176556;MM176556;CC1C(C#N)C1(F)C#N;VPIPVJGGSBRBGF-UHFFFAOYSA-N;124.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176557;MM176557;C=CC1N(C)C1(C)C=C;KASWLPRVIQPFNS-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176558;MM176558;COC=NNCC(O)C=O;INZMXBNTDSDVSV-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176559;MM176559;C=CC1(C)C(C#N)N1C;WEQRSHPCQDTOPC-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176560;MM176560;C=CC1N(C)C1(C)C#N;ZYELQEUVBRGNOB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176561;MM176561;C=CC=NNCC(O)C=O;AZEBCSZEJDDUDX-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176562;MM176562;CN1C(C#N)C1(C)C#N;WGWAONDLGTWYQM-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176563;MM176563;C=CC1(C)C(C)N1C=N;VNTNRXIHUPSDSI-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176564;MM176564;C=CC1(C)C(C)N1C=O;NKQIKYHSTYXWTC-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176565;MM176565;CC1N(C=N)C1(C)C=O;VHOWFOYYAWMWMU-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176566;MM176566;C=CC1(C)C(C)N1N=C;UPJCHVIRVWERIC-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176567;MM176567;C=NN1C(C)C1(C)C=O;LRIWOAWWXFDJGP-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176568;MM176568;C#CC1C(C)C1(C)C=C;IFRWAIMPEZHJIW-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176569;MM176569;C#CC1C(C)C1(C)C=O;JNJXKAPDZNIYBI-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176570;MM176570;C#CC1C(C)C1(C)C#N;UMPOFCYXYRARBJ-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176571;MM176571;C#CC1C(N)C1(C)C=C;MZCCNJKYWZMAMW-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176572;MM176572;C#CC=NN=C(NN)NO;ALOSRSAIXCLIFF-UHFFFAOYSA-N;141.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176573;MM176573;C#CC1C(C)C1(N)C=C;AIPIQCZVROGXNM-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176574;MM176574;C#CC1C(N)C1(N)C=C;UTKCWRSBYIBJAE-UHFFFAOYSA-N;122.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176575;MM176575;COc1nc(=NN)n(O)o1;IIVLXPCCAGUCRN-UHFFFAOYSA-N;146.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176576;MM176576;C#CC1C(C)C1(O)C=O;CKBFEOGXFDAENQ-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176577;MM176577;C#CC1C(C)C1(O)C#N;AOFZQKDGABSYMZ-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176578;MM176578;C#CC1C(N)C1(O)C=C;JZWWCYZGILGELD-UHFFFAOYSA-N;123.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176579;MM176579;C#CC1C(O)C1(O)C#N;JYNYRKARVAQVLJ-UHFFFAOYSA-N;123.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176580;MM176580;C#CC1C(C)C1(F)C=C;QXBNDYGWYYJLFO-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176581;MM176581;C#CC1C(C)C1(F)C=O;VEBHUTNFWNSGFC-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176582;MM176582;C#CC1C(C)C1(F)C#N;LVWRGPOJBUHZBK-UHFFFAOYSA-N;123.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176583;MM176583;C#CC1N(C)C1(C)C=C;IYABFFNNLCDIKK-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176584;MM176584;C#CC1N(C)C1(C)C=O;MWTTYPQSNPAVGV-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176585;MM176585;C#CC1N(C)C1(C)C#N;PCCRXEXMJGXWDD-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176586;MM176586;C#CC1(C)C(C)C1CC;MRPACHKYJIVTIL-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176587;MM176587;C#CC1(C)C(C)C1CN;YDVPRNZQDDFDIY-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176588;MM176588;CON=CC#CCNC=O;LNEYVNXQLSMHCM-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176589;MM176589;C#CC1(C)C(C)C1CF;WXRGFHLMJYRLDO-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176590;MM176590;C#CC1(C)C(N)C1CC;ISZPONRFUAGYKH-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176591;MM176591;C#CC1(C)C(N)C1CO;NGCSKPAQKGONNT-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176592;MM176592;C#CC1(C)C(N)C1CF;AKGHAHHGMHSEKN-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176593;MM176593;C#CC1(C)C(O)C1CN;IKBNARLNXDEIOG-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176594;MM176594;C#CC1(N)C(C)C1CC;FMIDNSBYWGYACG-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176595;MM176595;C#CC1(N)C(C)C1CN;DVTZGJAXZSSFPC-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176596;MM176596;C#CC1(N)C(C)C1CO;FYOYJLSJOHRYNB-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176597;MM176597;C#CC1(N)C(C)C1CF;FUOSQFTXXFBRFH-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176598;MM176598;C#CC1(N)C(N)C1CC;PDTRBSATVMSWAQ-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176599;MM176599;C#CC1(N)C(N)C1CN;HZBVTNJNAQWXMR-UHFFFAOYSA-N;125.18;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176600;MM176600;C#CC1(N)C(N)C1CO;MNPUSTTZQCVWRW-UHFFFAOYSA-N;126.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176601;MM176601;C#CC1(N)C(N)C1CF;FMSLOICUTAUXML-UHFFFAOYSA-N;128.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176602;MM176602;C#CC1(N)C(O)C1CC;FJOMEXDPILSRAT-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176603;MM176603;C#CC1(N)C(O)C1CN;NHQRQWCTZHOEAG-UHFFFAOYSA-N;126.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176604;MM176604;C#CC1(O)C(C)C1CC;KOHRNHHDGMBLBY-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176605;MM176605;C#CC1(O)C(C)C1CN;NUMBSFTTXPOOTE-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176606;MM176606;C#CC1(O)C(C)C1CO;MYNUPHNTRAIJCX-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176607;MM176607;C#CC1(O)C(C)C1CF;WLWMKRIOFLFYAA-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176608;MM176608;C#CC1(O)C(N)C1CC;NHJDAXWBRQVQEL-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176609;MM176609;C#CC1(O)C(N)C1CN;DQHHCKFLQQWPAG-UHFFFAOYSA-N;126.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176610;MM176610;C#CC1(O)C(N)C1CF;YUJBTXPGRXNZJS-UHFFFAOYSA-N;129.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176611;MM176611;C#CC1(F)C(C)C1CC;AODLBEZRXBVDIP-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176612;MM176612;C#CC1(F)C(C)C1CN;VAWUFJSBJPLYTE-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176613;MM176613;C#CC1(F)C(C)C1CO;RQBTWLMDWKENAL-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176614;MM176614;C#CC1(F)C(N)C1CN;NKDUYIUJPAKAGS-UHFFFAOYSA-N;128.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176615;MM176615;C#CC1(C)C(C)C1NC;CVFHCVVPAMEZRM-UHFFFAOYSA-N;123.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176616;MM176616;C#CC1(N)C(C)C1NC;OAEVPISUFHDOBL-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176617;MM176617;C#CC1(N)C(N)C1NC;CMMKLQNEQIPXPL-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176618;MM176618;C#CC1(N)C(O)C1NC;WZSTVHIMYJMCPF-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176619;MM176619;C#CC1(O)C(C)C1NC;QVSOJXKKNSTJLC-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176620;MM176620;C#CC1(O)C(N)C1NC;GLFOPUANNKXNNW-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176621;MM176621;C#CC1(C)C(C)C1OC;IIDNYJYWGTVJTM-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176622;MM176622;C#CC1(O)C(C)C1OC;KWDVQIKWABYNTI-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176623;MM176623;C#CC1(F)C(C)C1OC;BHLKWLFQQJDXME-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176624;MM176624;C#CC1(C)C(CC)N1C;CKGXGLFHNTZKTO-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176625;MM176625;C#CC1(C)C(CN)N1C;MLTIOUQASXQDIB-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176626;MM176626;N=c1c(N)non1O;DNBIABCFKSRBKW-UHFFFAOYSA-N;116.08;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176627;MM176627;C#CC1(C)C(C)N1CC;HUXBWKFYVSCMRJ-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176628;MM176628;C#CC1(C)C(C)C1C=C;WTQRRHAYVKTYEN-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176629;MM176629;C#CC1(C)C(C)C1C=O;PGOZFGDPRVECBY-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176630;MM176630;C#CC1(C)C(C)C1C#N;UPBSOHIFMXPXHR-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176631;MM176631;C#CC1(C)C(N)C1C=C;MBOOJJWOIJGVPG-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176632;MM176632;C#CC1NN=CC1O;DDROTYWDJZLHHN-UHFFFAOYSA-N;110.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176633;MM176633;C#CC1(C)C(O)C1C#N;TYWIZMKKZAKIKO-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176634;MM176634;C#CC1(N)C(C)C1C=C;JAGJXYKAHNZCKI-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176635;MM176635;C#CC1(O)C(C)C1C=C;VPNVBCPWLYNWLO-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176636;MM176636;C#CC1(O)C(C)C1C=O;YHERINAWPPJITQ-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176637;MM176637;C#CC1(O)C(C)C1C#N;TTZKULGBQWHNPC-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176638;MM176638;C#CC1(O)C(O)C1C#N;GASIWEYDTNUGSH-UHFFFAOYSA-N;123.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176639;MM176639;C#CC1(F)C(C)C1C=C;BFRACABBCFHYPM-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176640;MM176640;C#CC1(F)C(C)C1C#N;PVJLXHZJJVHJFX-UHFFFAOYSA-N;123.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176641;MM176641;C#CC1(C)C(C=C)N1C;KDXCIGUZTPPWKM-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176642;MM176642;C#CC(C)(O)CN1CC1;DGPQSGMMDCRBQP-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176643;MM176643;C#CC1(C)C(C#N)N1C;CKJRRJPSVOCSRO-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176644;MM176644;C#CC1(C)C(C)N1C=O;CTDSNNPSWGGJAZ-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176645;MM176645;C#CC1(C)C(C)N1N=C;QNSOLJXJNKDKRV-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176646;MM176646;C#CC1C(C)C1(C)C#C;SOFMKGPVADTHQQ-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176647;MM176647;C#CC1C(N)C1(C)C#C;BMVKGUAPKYNWLX-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176648;MM176648;CN(NC=O)C(=N)CF;HOYLUBHFNQNUFE-UHFFFAOYSA-N;133.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176649;MM176649;C#CC1C(C)C1(N)C#C;AGRWAWQWKKMYFT-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176650;MM176650;C#CC1C(N)C1(N)C#C;BVOPBKALIOEHAH-UHFFFAOYSA-N;120.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176651;MM176651;C#CC1C(C)C1(O)C#C;LONQTBYHXRYOER-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176652;MM176652;C#CC1C(N)C1(O)C#C;IIRBDVFCVBAUJW-UHFFFAOYSA-N;121.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176653;MM176653;C#CC1C(O)C1(O)C#C;NSQQPAAQVIZIRM-UHFFFAOYSA-N;122.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176654;MM176654;C#CC1C(C)C1(F)C#C;LMALSTGWIIWPOY-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176655;MM176655;C#CC1N(C)C1(C)C#C;IGWYRWMQBBYAQN-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176656;MM176656;CCCC1CC1(C)CC;NDMAVQTZMBACIR-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176657;MM176657;CCC1(C)CC1CCN;BYEHFBBWTXDUAL-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176658;MM176658;Cc1nc(N)c(O)n1C;GFPNURCIBVDUEX-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176659;MM176659;CCC1(C)CC1CCF;YPTBHTSCWIULDO-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176660;MM176660;CCCC1CC1(C)CN;JZHIWLRLZHXJOO-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176661;MM176661;CC1(CN)CC1CCN;KXLUMRDIOBEMBM-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176662;MM176662;CC1(CN)CC1CCO;QKKZXAUVEGSCEG-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176663;MM176663;CC1(CN)CC1CCF;JEPFZPFFLRXZTO-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176664;MM176664;CC1(F)C(O)C1N1CC1;HRBABTDGXDGQEE-UHFFFAOYSA-N;131.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176665;MM176665;CC1(CO)CC1CCN;WYOADWDZJJAYNW-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176666;MM176666;CNc1non(O)c1=N;OLGIVUHVJLHCFH-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176667;MM176667;N=c1c(NN)non1O;STYOGKOHXADZND-UHFFFAOYSA-N;131.1;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176668;MM176668;CCCC1CC1(C)CF;YVWLKOMWXLDQKW-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176669;MM176669;CC1(CF)CC1CCN;PRIQRAUPVFBURV-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176670;MM176670;NN=C1C=C(CF)CO1;BDQIZXPVPJRKMM-UHFFFAOYSA-N;130.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176671;MM176671;CC1(CF)CC1CCF;WBTCQCLVUWITEU-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176672;MM176672;CCCC1CC1(N)CC;YFIUYTQXYMWUGQ-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176673;MM176673;CCC1(N)CC1CCN;BWNWSTGRQSOQDE-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176674;MM176674;CCC1(N)CC1CCO;SWMGTKJSLUZROO-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176675;MM176675;CCC1(N)CC1CCF;IHDBLPOSBIAIRF-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176676;MM176676;CCCC1CC1(N)CN;CEUMPPRLTUBMTD-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176677;MM176677;NCCC1CC1(N)CN;QVQVREMXZQRPPT-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176678;MM176678;NCC1(N)CC1CCO;OPDBGUWMDNQJKA-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176679;MM176679;NCC1(N)CC1CCF;OJRBCUKKZAMJLM-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176680;MM176680;CCCC1CC1(N)CO;JUWWENIRIGRLRS-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176681;MM176681;NCCC1CC1(N)CO;QUQIVCNBLBTIJO-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176682;MM176682;NC1(CO)CC1CCO;XYKXHKCAMRYNJH-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176683;MM176683;NC1(CO)CC1CCF;ZLYBNLZMULFWNO-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176684;MM176684;NCCC1CC1(N)CF;OYIKUCMGAXMYMN-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176685;MM176685;NC1(CF)CC1CCO;XXWRWUKPMOHEPJ-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176686;MM176686;NC1(CF)CC1CCF;QXWBVLVRWUJBSO-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176687;MM176687;CC(C)(O)C(=O)N(N)C=O;JNYUFYFJFFGZFE-UHFFFAOYSA-N;146.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176688;MM176688;CCC1(O)CC1CCN;FDPHCLQDGQQODN-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176689;MM176689;CCC1(O)CC1CCO;UNTLZWFCZMHJMK-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176690;MM176690;CCC1(O)CC1CCF;WMDSFHSUGGROOC-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176691;MM176691;CCCC1CC1(O)CN;OHOLAUGENFYRRN-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176692;MM176692;NCCC1CC1(O)CN;NOAISUGLZPSRPW-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176693;MM176693;NCC1(O)CC1CCO;BEWFLBMNWPUNLD-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176694;MM176694;NCC1(O)CC1CCF;DSQJHDQGEBSAPP-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176695;MM176695;CCCC1CC1(O)CO;HYNWLQUPBGEYRY-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176696;MM176696;NCCC1CC1(O)CO;JNOWQJGMPDXAHX-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176697;MM176697;OCCC1CC1(O)CO;QSPZVHPYANUGRG-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176698;MM176698;OCC1(O)CC1CCF;ISUINJJTRNTUOL-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176699;MM176699;NCCC1CC1(O)CF;BYYPIBIGNBLENH-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176700;MM176700;OCCC1CC1(O)CF;SIZLVQGIZBAPOH-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176701;MM176701;OC1(CF)CC1CCF;BPIUXWADQJBSQA-UHFFFAOYSA-N;136.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176702;MM176702;CCCC1CC1(F)CC;SHCKTZMYYJHADR-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176703;MM176703;CCC1(F)CC1CCN;VVUKRENLTTZGQD-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176704;MM176704;CCC1(F)CC1CCO;PKKRZQMNKYEMPH-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176705;MM176705;CCC1(F)CC1CCF;FNIPSOVEEDZTKS-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176706;MM176706;CCCC1CC1(F)CN;VUAWSCKQZZSFBB-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176707;MM176707;NCCC1CC1(F)CN;SEZQPALDZSIOLF-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176708;MM176708;NCC1(F)CC1CCO;VWBDJZVQZCZIDY-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176709;MM176709;NCC1(F)CC1CCF;ATQDTIAEYLWEMV-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176710;MM176710;CCCC1CC1(F)CO;XPRKTZUXBFHMGO-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176711;MM176711;NCCC1CC1(F)CO;YSSHPMOUOPWWHQ-UHFFFAOYSA-N;133.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176712;MM176712;OCCC1CC1(F)CO;BJDFKLYQLDQKKC-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176713;MM176713;CCCC1CC1(F)CF;ITBYKYLAIHIOMB-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176714;MM176714;NCCC1CC1(F)CF;IHMBCDROFIMXSH-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176715;MM176715;OCCC1CC1(F)CF;YDUJGIXVPPWJTD-UHFFFAOYSA-N;136.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176716;MM176716;CCC1(C)CC1CNC;OWNGRYKGWBVUMJ-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176717;MM176717;CNCC1CC1(C)CN;ALBXLZRKIBYWEP-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176718;MM176718;CNCC1CC1(C)CO;OQDOBIZGLFNCGM-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176719;MM176719;CNCC1CC1(C)CF;ADXKEGSUSXFJFW-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176720;MM176720;CCC1(N)CC1CNC;GRGQEXDACRRBSF-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176721;MM176721;CNCC1CC1(N)CN;KHKAMGVHVDMGTQ-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176722;MM176722;CNCC1CC1(N)CO;NAKKJVGXOYEWBU-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176723;MM176723;CNCC1CC1(N)CF;HUWCOYKRVBJECC-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176724;MM176724;CCC1(O)CC1CNC;NFIXVFAZOFKTRE-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176725;MM176725;CNCC1CC1(O)CN;RAAOWVCIOQUJSN-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176726;MM176726;CNCC1CC1(O)CO;XKQPBODMPRUQDW-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176727;MM176727;CNCC1CC1(O)CF;GDEZXZKNEINLOJ-UHFFFAOYSA-N;133.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176728;MM176728;CCC1(F)CC1CNC;MHUDBRIBHKUWFY-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176729;MM176729;CNCC1CC1(F)CN;XILOSURIUWEDJS-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176730;MM176730;CNCC1CC1(F)CO;AFQVMGUFKJIQFK-UHFFFAOYSA-N;133.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176731;MM176731;CNCC1CC1(F)CF;LSFRFPJRHXWDAS-UHFFFAOYSA-N;135.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176732;MM176732;CCC1(C)CC1COC;NXQUOCIEMGSFMJ-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176733;MM176733;COCC1CC1(C)CN;GLWLRXQFHXYOBC-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176734;MM176734;COCC1CC1(C)CO;XWWFVHWHYQXKSM-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176735;MM176735;COCC1CC1(C)CF;FKHMCTCGIFWQGQ-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176736;MM176736;CCC1(N)CC1COC;JYXFDKVSCGOQDH-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176737;MM176737;COCC1CC1(N)CN;QQFLXPZSYNNOHQ-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176738;MM176738;COCC1CC1(N)CO;QMVJFPMRBUVOKK-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176739;MM176739;COCC1CC1(N)CF;MMQKHXRBKIIAOS-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176740;MM176740;CCC1(O)CC1COC;RLDBAJOUMFMSFP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176741;MM176741;COCC1CC1(O)CN;QUFQPRNQWZKXQX-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176742;MM176742;COCC1CC1(O)CO;VOMOPIINCUPPTQ-UHFFFAOYSA-N;132.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176743;MM176743;CCC1(F)CC1COC;AYFBHIJHJGIVCK-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176744;MM176744;COCC1CC1(F)CF;QJTVHKXLHKLBHG-UHFFFAOYSA-N;136.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176745;MM176745;CCCC1CC1(C)NC;NHEJLEAWWYTDCG-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176746;MM176746;CNC1(C)CC1CCN;XOEVLFVQOKPSIC-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176747;MM176747;CNC1(C)CC1CCO;IWJKNRBBIPVNRC-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176748;MM176748;CNC1(C)CC1CCF;SBRXIACCCKNUEI-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176749;MM176749;CNCC1CC1(C)NC;CWJVKRDKKUQTRV-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176750;MM176750;CNC1(C)CC1COC;WJOURVXYRIHPQH-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176751;MM176751;CCCC1CC1(C)OC;GJZBBOJWUCNSDH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176752;MM176752;COC1(C)CC1CCN;VBICKLBMTQBQHU-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176753;MM176753;COC1(C)CC1CCO;GOBRFCIEPQJIRX-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176754;MM176754;COC1(C)CC1CCF;QYVCDVKIRGMQGS-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176755;MM176755;CNCC1CC1(C)OC;CPSGGGAPXGXTNW-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176756;MM176756;COCC1CC1(C)OC;GAYKKEHSZNDINM-UHFFFAOYSA-N;130.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176757;MM176757;CCNC1CC1(C)CC;ULTJJCKNRBUUEK-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176758;MM176758;CCNC1CC1(C)CN;AJDFUGMNEMMVAZ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176759;MM176759;CCNC1CC1(C)CO;BOYFMMVDXOUFIA-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176760;MM176760;CCNC1CC1(C)CF;XTANYDXETRGMCI-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176761;MM176761;CCNC1CC1(N)CC;SHIGCNZRUKJFPH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176762;MM176762;CCNC1CC1(N)CN;UCBNBRGJTKCMKZ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176763;MM176763;CCNC1CC1(N)CO;LHCQYCQLDOUNKJ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176764;MM176764;CCNC1CC1(N)CF;ZQZDINALKPJQGH-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176765;MM176765;CCNC1CC1(O)CC;XUZNQMRVXBBFRT-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176766;MM176766;CCNC1CC1(O)CN;XULKSWPHQBPCJB-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176767;MM176767;CCNC1CC1(O)CO;KVOCRPZZYMTYLB-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176768;MM176768;CCNC1CC1(O)CF;RMVKUGRGIBNICR-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176769;MM176769;CCNC1CC1(F)CC;KBSRNMJAPDXTIF-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176770;MM176770;CCNC1CC1(F)CN;DDTAYLMMZMWQNS-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176771;MM176771;CCNC1CC1(C)NC;OZBSEDDJRGTSOT-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176772;MM176772;CCNC1CC1(C)OC;OAEVLWMGCZSFCM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176773;MM176773;CCOC1CC1(C)CC;OFOCXLQIYCJQDI-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176774;MM176774;CCOC1CC1(C)CN;NBIXBLONUDTQIP-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176775;MM176775;CCOC1CC1(C)CO;OCJPMCOUVSMVHF-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176776;MM176776;CCOC1CC1(C)CF;ZTTUTZNJOQUBRZ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176777;MM176777;CCOC1CC1(N)CC;YPVGKQJAQBPEOQ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176778;MM176778;CCOC1CC1(N)CN;RSJGOGGOUPRNMP-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176779;MM176779;CCOC1CC1(N)CO;GOLHPHFVKRCWFV-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176780;MM176780;CCOC1CC1(O)CC;NBTACPGTQLOSSA-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176781;MM176781;CCOC1CC1(O)CN;YQDABOWXKBXJSV-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176782;MM176782;CCOC1CC1(O)CO;PGBQMMGXODRKRQ-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176783;MM176783;CCOC1CC1(O)CF;FRIHLYXMLQLXOU-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176784;MM176784;CCOC1CC1(F)CC;IYDFLKLETMQRNF-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176785;MM176785;CCOC1CC1(F)CN;KMCPPNQLFNKKSL-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176786;MM176786;CCOC1CC1(F)CO;BCKIBZQLLLOFQI-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176787;MM176787;CCOC1CC1(F)CF;VYOKPAHSKXMZHN-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176788;MM176788;CCOC1CC1(C)NC;XDVCZCFARLKMMU-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176789;MM176789;CCOC1CC1(C)OC;SFOFVNRDCJFJGQ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176790;MM176790;CCC1(C)NC1CCN;KTLZSMDLRIWBGA-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176791;MM176791;CCCC1NC1(C)CN;WPLHCAKATSHGBV-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176792;MM176792;CC1(CN)NC1CCN;DCVCDNORXUEFLT-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176793;MM176793;CC1(CN)NC1CCO;BOEHSGXKTGLLMW-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176794;MM176794;CC1(CO)NC1CCN;BOFHPGPHCCNUJA-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176795;MM176795;CC1(CF)NC1CCN;NFAXIXFUFXSTHE-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176796;MM176796;CN1N=CC(C)(O)C1(C)C;KAOAQIWPKKQWHA-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176797;MM176797;CC1(CF)NC1CCF;VIOCQUANUXUBDS-UHFFFAOYSA-N;135.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176798;MM176798;CCC1(C)NC1CNC;DOHJYZYYFAPFCX-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176799;MM176799;CNCC1NC1(C)CN;WGEQKTAJEBJTPO-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176800;MM176800;CNCC1NC1(C)CO;GMHKIGCMNHZCPN-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176801;MM176801;CNCC1NC1(C)CF;IFPHDJXNRCDOBV-UHFFFAOYSA-N;132.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176802;MM176802;COCC1NC1(C)CN;ZUDYZUSFUWSOHJ-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176803;MM176803;C#CC(C)(O)CN1CC1C;KZAGNAYFQPTTNQ-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176804;MM176804;COCC1NC1(C)CF;ZMQHSNPHSIZDRM-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176805;MM176805;CCCC1OC1(C)CC;JGPIQFNOSOHDQP-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176806;MM176806;CCC1(C)OC1CCN;FRSUAGDUWIAGHC-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176807;MM176807;CCC1(C)OC1CCO;GJPYDMMWKMHGOJ-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176808;MM176808;CCC1(C)OC1CCF;VBWBQUOIELRTPD-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176809;MM176809;CCCC1OC1(C)CN;PMOZLSFPONQJLA-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176810;MM176810;CC1(CN)OC1CCN;UKDXYMOZFWIHDY-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176811;MM176811;CC1(CN)OC1CCO;KNZQKXCLGJYUNT-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176812;MM176812;CC1(CN)OC1CCF;MEFOXMMVJUNEQN-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176813;MM176813;CCCC1OC1(C)CO;BDFUJVIXRMRZOD-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176814;MM176814;CC1(CO)OC1CCN;BUVZULSTQJANRD-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176815;MM176815;CC1(CO)OC1CCO;NIRMFDQVRJCKCX-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176816;MM176816;CC1(CO)OC1CCF;CWSZBBFIMJPKNA-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176817;MM176817;CCCC1OC1(C)CF;MBQXZWWEIMINFY-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176818;MM176818;CC1(CF)OC1CCN;ZRDKQSUSWBWGLU-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176819;MM176819;CC1(CF)OC1CCO;LCVBDWSSUOURSJ-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176820;MM176820;CC1(CF)OC1CCF;NSPXUQSCMZZDCP-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176821;MM176821;CCC1(C)OC1CNC;GBIJXIGEDFRMSD-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176822;MM176822;CNCC1OC1(C)CN;RJINJJMTGJHLPR-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176823;MM176823;CNCC1OC1(C)CO;RJAGYGMSZBFELH-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176824;MM176824;CNCC1OC1(C)CF;PPHBHKSQADUMLY-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176825;MM176825;CCC1(C)OC1COC;LDJVMKCSYZZJFZ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176826;MM176826;COCC1OC1(C)CN;FVWPTKBBXPWPON-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176827;MM176827;COCC1OC1(C)CO;IKKVRUYGLBXGQT-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176828;MM176828;COCC1OC1(C)CF;WMUQJROBYDPWNH-UHFFFAOYSA-N;134.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176829;MM176829;CCC1(C)CN1CCN;BGNXCQQQIIBJMT-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176830;MM176830;CCC1(C)CN1CCF;AQKCESFFJGTSJT-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176831;MM176831;CCCN1CC1(C)CN;TUOHHIIDHXZPFF-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176832;MM176832;CC1(CN)CN1CCN;GIBSFVXHKSRNIN-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176833;MM176833;CC1(CN)CN1CCO;HYHGCSGKVKXRFB-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176834;MM176834;CC1(CN)CN1CCF;RBQWAYHYMIFDKV-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176835;MM176835;CC1(CO)CN1CCN;YXPBAAWPRPHHFD-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176836;MM176836;N=c1ccoc(CC=O)n1;GDSIWKMDTVQYNW-UHFFFAOYSA-N;138.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176837;MM176837;C=CC1(CC(=O)NN)CC1;VBJOHYBVSCLCPS-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176838;MM176838;CCCN1CC1(C)CF;QBJVSJWKSMMAKF-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176839;MM176839;CC1(CF)CN1CCN;GFEOBZKXWYPIDV-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176840;MM176840;CC1(CF)CN1CCF;AJSRXXKKXFCQPX-UHFFFAOYSA-N;135.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176841;MM176841;C=CCC1CC1(C)CC;ZZJRYNNLMVXOLZ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176842;MM176842;CCC1(C)CC1CC=O;MZSRGHZWRCGQTM-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176843;MM176843;CCC1(C)CC1CC#N;UJPPNPKAFGQNJW-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176844;MM176844;C=CCC1CC1(C)CN;QMMGAYDFBAKWRO-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176845;MM176845;CNN=CC(O)C(C)OC;BTUPQULPJALBLI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176846;MM176846;CCC1(NNC=O)CC1C;WPANEMYEEWWCPL-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176847;MM176847;C=CC1(CNNC=O)CC1;XHSGRRHOONVTDF-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176848;MM176848;C=CCC1CC1(C)CF;HIMKACSRIVXTBT-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176849;MM176849;CC1(CF)CC1CC=O;PYKHOAYUYVXJTK-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176850;MM176850;CC1(CF)CC1CC#N;RMBNWXKQWFPHAR-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176851;MM176851;C=CCC1CC1(N)CC;WKUFPKXIZWEASM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176852;MM176852;C=CCC1CC1(N)CN;SCONCOXIFMONGV-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176853;MM176853;C=CCC1CC1(N)CO;SCIRLCGKTVUUHS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176854;MM176854;C=CCC1CC1(N)CF;TWNFFYFFZHCSGW-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176855;MM176855;C#Cc1c[nH]c(C=CC)n1;QPKBWMQEPPBIMI-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176856;MM176856;CCC1(O)CC1CC=O;KYYOKEZBZJRMNF-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176857;MM176857;CCC1(O)CC1CC#N;HEISLGNKEYZUSU-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176858;MM176858;C=CCC1CC1(O)CN;XPHWAYGTQFCCRF-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176859;MM176859;C=CCC1CC1(O)CO;UOLXJRRHDLNKJF-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176860;MM176860;O=CCC1CC1(O)CO;ACPRFJCRFOUOAO-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176861;MM176861;N#CCC1CC1(O)CO;WJTCHELVYDIJFR-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176862;MM176862;C=CCC1CC1(O)CF;WZCGMYCHSIVYTF-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176863;MM176863;O=CCC1CC1(O)CF;LYRBRDNBWZKHAW-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176864;MM176864;N#CCC1CC1(O)CF;VWSKGFHFNRHJCT-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176865;MM176865;C=CCC1CC1(F)CC;LPKFZANCKQJOBI-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176866;MM176866;CCC1(F)CC1CC=O;VJQCVQJHIZADTP-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176867;MM176867;CCC1(F)CC1CC#N;DQDASESVFRCLGO-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176868;MM176868;C=CCC1CC1(F)CN;FIPFKQKFKDUMBE-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176869;MM176869;C=CCC1CC1(F)CO;DWWOXVKNUVVJOQ-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176870;MM176870;O=CCC1CC1(F)CO;DVPGOHAGNSOETA-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176871;MM176871;N#CCC1CC1(F)CO;OOVLCQCOAACXIW-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176872;MM176872;C=CCC1CC1(F)CF;AUYDCTFDZJDWRK-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176873;MM176873;O=CCC1CC1(F)CF;FNWWJNMCBTZVFB-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176874;MM176874;C=CCC1CC1(C)NC;DLUGOQMLWJBBAJ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176875;MM176875;CNC1(C)CC1CC=O;XIRBZYNTUIMDFJ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176876;MM176876;CNC1(C)CC1CC#N;ATBKYVNECBFZKR-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176877;MM176877;C=CCC1CC1(C)OC;IWKLXTGUJLTXLX-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176878;MM176878;COC1(C)CC1CC=O;YDBDDDIAUXQIGP-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176879;MM176879;COC1(C)CC1CC#N;HLCNTIXYBVRDFM-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176880;MM176880;CCC1(C)CC1NC=N;IUEBIQCSVDACFV-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176881;MM176881;CN=c1n(O)cc(F)n1O;RJHWTFLXEDKKPU-UHFFFAOYSA-N;147.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176882;MM176882;CC1(CN)CC1NC=N;BJTBECLUIFNNGM-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176883;MM176883;CC1(CN)CC1NC=O;XHUVCXSUVUKGIR-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176884;MM176884;CC1(CO)CC1NC=N;VHBJOFISACAVIC-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176885;MM176885;CC1(CO)CC1NC=O;UJULRZLJDBNSII-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176886;MM176886;CCC1(N)CC1NC=N;XMBJVMAQFHONHO-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176887;MM176887;CCC1(N)CC1NC=O;HOBMNBWXRXFDNL-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176888;MM176888;N=CNC1CC1(N)CN;OEXSJVYDWZYKTN-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176889;MM176889;NCC1(N)CC1NC=O;QJYKIIUCRHPGND-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176890;MM176890;N=CNC1CC1(N)CO;KZCONHKHTPGPTM-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176891;MM176891;NC1(CO)CC1NC=O;NEWAFXCPOMTOOV-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176892;MM176892;N=CNC1CC1(N)CF;LXXGSTUYODWXOC-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176893;MM176893;CCC1(O)CC1NC=N;LOOIATKGWNYFPI-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176894;MM176894;CCC1(O)CC1NC=O;PGPZNAQRRPBLRG-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176895;MM176895;N=CNC1CC1(O)CN;DXODXFJFLNBHDT-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176896;MM176896;NCC1(O)CC1NC=O;LGIOZUQTZJBOTA-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176897;MM176897;N=CNC1CC1(O)CO;BYBLJYIBCCBERO-UHFFFAOYSA-N;130.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176898;MM176898;O=CNC1CC1(O)CO;HSZCWUCEWGNNNX-UHFFFAOYSA-N;131.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176899;MM176899;N=CNC1CC1(O)CF;YWRORNRJMMINPH-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176900;MM176900;O=CNC1CC1(O)CF;BCUBVMSRNNNBEU-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176901;MM176901;CCC1(F)CC1NC=N;OXSYQIFAXINIPI-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176902;MM176902;CCC1(F)CC1NC=O;PLMRHCFFUXKVKQ-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176903;MM176903;N=CNC1CC1(F)CN;AFVJEBWZVUWASR-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176904;MM176904;NCC1(F)CC1NC=O;ABHMUKFTIQCNQD-UHFFFAOYSA-N;132.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176905;MM176905;N=CNC1CC1(F)CO;UXBXWJXFLWEXLW-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176906;MM176906;O=CNC1CC1(F)CO;NKFFJMNVCWNRRO-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176907;MM176907;N=CNC1CC1(F)CF;UCAUMYKYINWBSL-UHFFFAOYSA-N;134.13;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176908;MM176908;C=NNC1CC1(C)CC;JQTDREQQFXQCMA-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176909;MM176909;C=NNC1CC1(C)CN;WPOBZKCNVMPVDN-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176910;MM176910;NN=C1C=COC1;QZKRURWABIIINL-UHFFFAOYSA-N;98.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176911;MM176911;C=NNC1CC1(N)CC;YKQNYKWWJVLRNH-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176912;MM176912;C=NNC1CC1(N)CN;GZQYOUGMTSJJLO-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176913;MM176913;C=NNC1CC1(N)CO;XZBURVKVPHJCCM-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176914;MM176914;CC(C)N(C)NC=O;YBHYVSPGCCGNCO-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176915;MM176915;C=NNC1CC1(O)CN;DBLHHBNSVXIHHV-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176916;MM176916;CC(=CN)C(=O)NN;FLZLMDIRFVUQLI-UHFFFAOYSA-N;115.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176917;MM176917;C=NN=C1CC=CN1;HIKXXIKBSXAQIX-UHFFFAOYSA-N;109.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176918;MM176918;C=NNC1CC1(F)CC;ANXMRGDDPYTMKI-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176919;MM176919;C=NNC1CC1(F)CN;CHYPVBCXOHCFCI-UHFFFAOYSA-N;131.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176920;MM176920;C=NNC1CC1(F)CF;IMYVAKMCHNVGBA-UHFFFAOYSA-N;134.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176921;MM176921;CNC1(C)CC1NC=N;IJHMPOKFZMNONB-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176922;MM176922;CNC1(C)CC1NC=O;HQHFRZVQWHSWAS-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176923;MM176923;C=NNC1CC1(C)NC;OAGKPNZQMCYDLY-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176924;MM176924;COC1(C)CC1NC=N;BXYFXBVEONLPAM-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176925;MM176925;COC1(C)CC1NC=O;SJKHVFUBLGEQSJ-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176926;MM176926;C=NNC1CC1(C)OC;JSNPSDOFKZDYNQ-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176927;MM176927;C=COC1CC1(C)CC;SVIPDXRJVVVWCO-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176928;MM176928;CCC1(C)CC1OC=O;IPOZAVRVVHOGAC-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176929;MM176929;C=COC1CC1(C)CN;FHGDSZSCBIONOV-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176930;MM176930;CC1(CN)CC1OC=O;LIGCPCMOAOKOTG-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176931;MM176931;C=COC1CC1(C)CO;UIQUNTUHTNTQIR-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176932;MM176932;CC1(CO)CC1OC=O;GLBHUYYECLYUHI-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176933;MM176933;CC1(CF)CC1OC=O;KWCIUCCPLWSMPB-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176934;MM176934;C=COC1CC1(N)CC;SPOWLAFNFWWGIZ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176935;MM176935;CCC1(N)CC1OC=O;PQEWDXWYSWJJQH-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176936;MM176936;C=COC1CC1(N)CN;KBAFRJJNVZDBNX-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176937;MM176937;NCC1(N)CC1OC=O;JNCYLIHKNJGNNS-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176938;MM176938;C=COC1CC1(N)CO;HMWQXGLRQSMJBT-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176939;MM176939;NC1(CO)CC1OC=O;WBNVSRVYHMENQQ-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176940;MM176940;C=COC1CC1(O)CC;ORKXLEBFUGDZDQ-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176941;MM176941;CCC1(O)CC1OC=O;DTZXXIIHIANYTL-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176942;MM176942;C=COC1CC1(O)CN;JEHGGVLTKCMVAD-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176943;MM176943;NCC1(O)CC1OC=O;NDSNSNZRCWMTDJ-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176944;MM176944;C=COC1CC1(O)CO;KVHKUFSRQRSJMA-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176945;MM176945;O=COC1CC1(O)CO;ZJMJTSMZFKPCJH-UHFFFAOYSA-N;132.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176946;MM176946;C=COC1CC1(O)CF;AYSGXUUVONWIMK-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176947;MM176947;O=COC1CC1(O)CF;LHUQKEJVXMFLNR-UHFFFAOYSA-N;134.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176948;MM176948;C=COC1CC1(F)CC;PNAKFHTWKZAFHA-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176949;MM176949;CCC1(F)CC1OC=O;MZLLHNXYABNOHV-UHFFFAOYSA-N;132.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176950;MM176950;C=COC1CC1(F)CN;DSXCWJQKORCZPC-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176951;MM176951;NCC1(F)CC1OC=O;IXPVFSLEACQBSN-UHFFFAOYSA-N;133.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176952;MM176952;C=COC1CC1(F)CO;KCOWVIKFFPVFBS-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176953;MM176953;O=COC1CC1(F)CF;PAWSFVRQXMXYRT-UHFFFAOYSA-N;136.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176954;MM176954;C=NOC1CC1(C)CC;HSRCSFXPGKZEKW-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176955;MM176955;C=NOC1CC1(C)CN;MBNNHZDIDJGKDA-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176956;MM176956;C=NNc1ccon1;OTGZOXJZGJPUMR-UHFFFAOYSA-N;111.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176957;MM176957;C=NOC1CC1(N)CC;VOSBBVLKHSZRPY-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176958;MM176958;C=NOC1CC1(N)CN;PYFJWODTNSIZIN-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176959;MM176959;CC1(CC(=O)NN)CC1;WOAVIRIQUWZSRQ-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176960;MM176960;C=NOC1CC1(O)CN;XPHYJEGTSLPRCX-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176961;MM176961;C=CCCNNC(C)=O;UCAIXAIDMJCHCA-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176962;MM176962;C=NOC1CC1(F)CC;FWGSTRKVVIYBMJ-UHFFFAOYSA-N;131.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176963;MM176963;C=NOC1CC1(F)CN;SYJTXEHMFLCBPI-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176964;MM176964;C=CCCN(C)NC=O;MQVCGRWRASKTTA-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176965;MM176965;C=NOC1CC1(F)CF;UKANJPKJIRRKDL-UHFFFAOYSA-N;135.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176966;MM176966;C=COC1CC1(C)NC;ZJHIKYNNHLPANV-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176967;MM176967;CNC1(C)CC1OC=O;CEHJQNNXZAZWHZ-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176968;MM176968;C=NOC1CC1(C)NC;HLGRQOUABKBSLP-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176969;MM176969;C=COC1CC1(C)OC;GGSXHMVTSUJNFC-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176970;MM176970;COC1(C)CC1OC=O;BNNARUMOHVYIHZ-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176971;MM176971;C=NOC1CC1(C)OC;XOGIKYOOUQMEEO-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176972;MM176972;CCC1(C)NC1CC#N;TVMSKTOMDYJIHY-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176973;MM176973;C=CCC1NC1(C)CN;ZRLMSVCMMMBNNK-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176974;MM176974;COC(C)C(O)C=NN;YFMQMRFMJAAPOC-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176975;MM176975;C=CCC1NC1(C)CF;NAXGDAGWOMEQGF-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176976;MM176976;CC1(CNNC=O)CC1;UBNXRTKFRYWVGN-UHFFFAOYSA-N;128.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176977;MM176977;CC1(CF)NC1CC#N;FJFGQWVUAJQCQV-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176978;MM176978;C=CCC1OC1(C)CC;BYEZJAGRVJSUMZ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176979;MM176979;CCC1(C)OC1CC=O;DXDLFXMABVMDDK-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176980;MM176980;CCC1(C)OC1CC#N;LYCMULHSQNXFAZ-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176981;MM176981;C=CCC1OC1(C)CN;FWJKFSCBOYETSU-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176982;MM176982;C=CCC1OC1(C)CO;FQAICQBGPKUVQH-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176983;MM176983;CC1(CO)OC1CC=O;ZBQXBEKJSKDCNQ-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176984;MM176984;CC1(CO)OC1CC#N;AXLGJCFGLXMMCA-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176985;MM176985;C=CCC1OC1(C)CF;MAGPRGZBUBVAES-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176986;MM176986;CC1(CF)OC1CC=O;ZUJJNSSVSGJTQY-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176987;MM176987;CC1(CF)OC1CC#N;VHLYOOTVJSJEQJ-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176988;MM176988;N=c1n(O)cc(F)n1O;MEBZHNPNPGCNOJ-UHFFFAOYSA-N;133.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176989;MM176989;CCC1(C)CN1CC#N;KWOMTWDVYCJQLY-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176990;MM176990;C=CCN1CC1(C)CN;QNHUYPCEDVNAMX-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176991;MM176991;CCN(CC)C(=O)NN;MYLMZXNDVMFRBH-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176992;MM176992;CN=C1NC(=NN)CO1;AXDBKYMBCOEMHT-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176993;MM176993;C=NN(C)C(=O)C(C)(C)O;IXWYZOUYGODTAM-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176994;MM176994;C=CCN1CC1(C)CF;DBEOBUWFHWLECQ-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176995;MM176995;C=C(CC)CC(=O)NNC;YNIKXKKCIZALSX-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176996;MM176996;CC1(CF)CN1CC#N;AWQQRXITVCNHOI-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176997;MM176997;CCC1(C)CN1NC=N;AIMFGZRCBAYGNQ-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176998;MM176998;CCC1(C)CN1NC=O;HUTPRUIBGQHRBF-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM176999;MM176999;CC1(CN)CN1NC=N;VWORIHHLSCHOIR-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177000;MM177000;CC1(CN)CN1NC=O;WLUZBEWJPGJLFC-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177001;MM177001;CC1(CO)CN1NC=N;PHDLEAYIMWSMCM-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177002;MM177002;CC1(CO)CN1NC=O;ACEILEDUAJURNA-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177003;MM177003;CC1(CF)CN1NC=N;JNMLTUPHNRPLAV-UHFFFAOYSA-N;131.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177004;MM177004;CC1(CF)CN1NC=O;UBMXLWQRELMAEV-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177005;MM177005;C#CCC1CC1(C)CC;HMDZHKVYZCFKJR-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177006;MM177006;C#CCC1CC1(C)CN;ZTVXAXVMTRDESR-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177007;MM177007;CC1(F)C(O)C1NCC#N;NRSJZKQSGNNXDV-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177008;MM177008;C#CCC1CC1(C)CF;RUXUZGXQTXJRDY-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177009;MM177009;C#CCC1CC1(N)CC;HAWQWNDENPQVFK-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177010;MM177010;C#CCC1CC1(N)CN;OAJBTRNFPCBJCI-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177011;MM177011;C#CCC1CC1(N)CO;QXWDFIWZNNFYHT-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177012;MM177012;C#CCC1CC1(N)CF;NAFSLAQLXOCCRF-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177013;MM177013;N=CN(O)C=NC(=O)CO;FTCOQGPPXWLIQA-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177014;MM177014;C#CCC1CC1(O)CN;DKMDYHUGRWCJSO-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177015;MM177015;C#CCC1CC1(O)CO;INLPISYXRNWXPF-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177016;MM177016;C#CCC1CC1(O)CF;FAFRHBXJOHRPJP-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177017;MM177017;C#CCC1CC1(F)CC;IHMQKALSBPMAPJ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177018;MM177018;C#CCC1CC1(F)CN;GNPOVNFDLTURKS-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177019;MM177019;C#CCC1CC1(F)CO;XAAWQYNFBOTILY-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177020;MM177020;C#CCC1CC1(F)CF;XVXSLULBBSCDNL-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177021;MM177021;C#CCC1CC1(C)NC;UGDMDQWVSQYYAY-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177022;MM177022;C#CCC1CC1(C)OC;YUAWFWUQTZAYMH-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177023;MM177023;C#CCC1NC1(C)CN;QKGHOJPEOQSHAB-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177024;MM177024;C#CCC1NC1(C)CF;KPEXRAHMKFHHAX-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177025;MM177025;C#CCC1OC1(C)CC;VSPCOPLDKSWVOK-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177026;MM177026;C#CCC1OC1(C)CN;ICHCSMZSELYOCN-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177027;MM177027;C#CCC1OC1(C)CO;SJPHYEBCBJBZFN-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177028;MM177028;C#CCC1OC1(C)CF;ZGBVACFYVMZYMH-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177029;MM177029;C#CCN1CC1(C)CC;BBOPOSVETTXZHI-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177030;MM177030;C#CCN1CC1(C)CN;UHZBWODBXQKLBY-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177031;MM177031;CC(=NN)C(O)COC=O;KNENHPLIWVUSEI-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177032;MM177032;C#CCN1CC1(C)CF;JFFAEGPJSBLXLK-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177033;MM177033;C=CC1(C)CC1CCC;QWBKCHDBOKMZRY-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177034;MM177034;C=CC1(C)CC1CCN;QJQUBKWCIGVDPP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177035;MM177035;CCCC(=NN)C(O)CO;VAXAGBYMCUBVFO-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177036;MM177036;C=CC1(C)CC1CCF;HKVLIDATOGSWLR-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177037;MM177037;CCCC1CC1(C)C=O;VJABYFWSKHREOL-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177038;MM177038;CCCC1CC1(C)C#N;AYSQPMDVZDMZPZ-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177039;MM177039;C=NOC(=NN)C(O)CC;IOSAWQWCWMNIDH-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177040;MM177040;CC1(C#N)CC1CCO;VTHARMCSKUFDMQ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177041;MM177041;CC1(C=O)CC1CCF;OTGBHMUBULIXSD-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177042;MM177042;CC1(C#N)CC1CCF;UJAYVPKDKWZJRL-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177043;MM177043;C=CC1(N)CC1CCC;PPVWELWTDMWFIC-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177044;MM177044;C=CC1(N)CC1CCN;RBFBEPVEVLSYRY-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177045;MM177045;C=CC1(N)CC1CCO;ASNSJJOKOWTYLX-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177046;MM177046;C=CC1(N)CC1CCF;QSAAHVHSTUPGFG-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177047;MM177047;CCC(=NNC)C(O)CO;GIJLUMFNVNBRCC-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177048;MM177048;C=CC1(O)CC1CCN;NACZBHHPWOIKOG-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177049;MM177049;C=CC1(O)CC1CCO;FXBIPAGYFDKYDG-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177050;MM177050;C=CC1(O)CC1CCF;LINYISYCAYAVBZ-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177051;MM177051;CCCC1CC1(O)C=O;GBPLINRBSNRXCB-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177052;MM177052;CCCC1CC1(O)C#N;WXPQOAJJCGFAIY-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177053;MM177053;O=CC1(O)CC1CCO;HCTVYNBLGXPSLX-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177054;MM177054;N#CC1(O)CC1CCO;RMXJMWBPVCSQRF-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177055;MM177055;O=CC1(O)CC1CCF;ODCACJYMZXMWMK-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177056;MM177056;N#CC1(O)CC1CCF;BPFJZSYAOIPTEX-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177057;MM177057;C=CC1(F)CC1CCC;WWAOSHYCMAMGMT-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177058;MM177058;C=CC1(F)CC1CCN;FIPOYMQZYQKPFY-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177059;MM177059;C=CC1(F)CC1CCO;QAUVHLVBDAMGQF-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177060;MM177060;C=CC1(F)CC1CCF;ZDTJAIIJYOKDGS-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177061;MM177061;CCCC1CC1(F)C=O;NWUIJTHJZCUZCI-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177062;MM177062;CCCC1CC1(F)C#N;XGZHWYXJHXYDRF-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177063;MM177063;O=CC1(F)CC1CCO;RPACXLHQIVRHOY-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177064;MM177064;N#CC1(F)CC1CCO;YMJAXOASMHYVCP-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177065;MM177065;O=CC1(F)CC1CCF;ISTRZVQIVLOLHY-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177066;MM177066;N#CC1(F)CC1CCF;AOUYIXLJXCLKGX-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177067;MM177067;C=CC1(C)CC1CNC;PKTHVZRGBBPIBZ-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177068;MM177068;CNCC1CC1(C)C=O;YDXQULRUUZGNIJ-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177069;MM177069;CNCC1CC1(C)C#N;JKVDZBGTABEIFG-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177070;MM177070;C=CC1(N)CC1CNC;RCEMYJNVFPFCKG-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177071;MM177071;C=CC1(O)CC1CNC;GCEXZKWZKBTBLG-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177072;MM177072;CNCC1CC1(O)C=O;IDKXKCWBNXVEDY-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177073;MM177073;CNCC1CC1(O)C#N;NRTKFCBKDTVNBE-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177074;MM177074;C=CC1(F)CC1CNC;IVLYVLFKBFJBCB-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177075;MM177075;CNCC1CC1(F)C=O;PJDIBXAYLNZILO-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177076;MM177076;CNCC1CC1(F)C#N;UFRFLZMROZQVAS-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177077;MM177077;C=CC1(C)CC1COC;NDMSQPVBXNCCTB-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177078;MM177078;COCC1CC1(C)C=O;CCPBQIXCGVLLCI-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177079;MM177079;COCC1CC1(C)C#N;CYTJBTHNMFEGGF-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177080;MM177080;C=CC1(N)CC1COC;PNYWYDXLKWCZRM-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177081;MM177081;C=CC1(O)CC1COC;XZCIULJERBJORM-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177082;MM177082;COCC1CC1(O)C=O;NNXBNCQGIAFXEH-UHFFFAOYSA-N;130.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177083;MM177083;COCC1CC1(O)C#N;PJFXQDFBOXGGIT-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177084;MM177084;C=CC1(F)CC1COC;GFOXXUBVCVDUQK-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177085;MM177085;COCC1CC1(F)C=O;LRMHBQQJKJOFPH-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177086;MM177086;COCC1CC1(F)C#N;KTOTYVJHMWHSJD-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177087;MM177087;C=CC1(C)CC1NCC;PCWPJMDHGNJCQB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177088;MM177088;CCNC1CC1(C)C=O;CMMVMNKNFGVOAE-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177089;MM177089;C=CC1(N)CC1NCC;ZFTTWFHESJLYHK-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177090;MM177090;C=CC1(O)CC1NCC;BADODDLOPGGZGK-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177091;MM177091;CCNC1CC1(O)C=O;CTCRENSJAYNLAO-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177092;MM177092;C=CC1(F)CC1NCC;NCYMMAGPOJZTQN-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177093;MM177093;CCNC1CC1(F)C#N;SHGRZOLFGKOOOW-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177094;MM177094;C=CC1(C)CC1OCC;CEOZVGSJUPBGJP-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177095;MM177095;CCOC1CC1(C)C=O;XQUJEBBNVPZAAG-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177096;MM177096;CCOC1CC1(C)C#N;IFTKWMZMLSJTSV-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177097;MM177097;C=CC1(N)CC1OCC;PXECFCFBWJOXEB-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177098;MM177098;C=CC1(O)CC1OCC;SKKCHJQYDSGUOJ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177099;MM177099;CCOC1CC1(O)C=O;GXTCZPOHHDJWDA-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177100;MM177100;CCOC1CC1(O)C#N;LBADALYMOSNSRO-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177101;MM177101;C=CC1(F)CC1OCC;AUDXJAKTNOFBRW-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177102;MM177102;CCOC1CC1(F)C=O;WLSOPPMOVDGIOE-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177103;MM177103;CCOC1CC1(F)C#N;NIWBTAFOCDURTJ-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177104;MM177104;C=CC1(C)NC1CCN;NLGBJKFDSFNHIQ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177105;MM177105;CCCC1NC1(C)C=O;IJYFKHDANKQSOF-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177106;MM177106;CCCC1NC1(C)C#N;RNPLTEBTAVQYNS-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177107;MM177107;Cc1c(N)c(O)n(N)c1F;FZDJLIDAZTYYCF-UHFFFAOYSA-N;145.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177108;MM177108;NNC(=NN=CCF)NO;AEIDSAFJHYMZRB-UHFFFAOYSA-N;149.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177109;MM177109;CC1(C=O)NC1CCF;MVXQKENCCQYGFS-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177110;MM177110;CC1(C#N)NC1CCF;YDDKUCJDDDHFRS-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177111;MM177111;C=CC1(C)NC1CNC;LXIZOFMJDPNJKM-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177112;MM177112;CNCC1NC1(C)C=O;OSNSQGCDWDEDLP-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177113;MM177113;CNCC1NC1(C)C#N;USZPUNCXJUSSDP-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177114;MM177114;C=CC1(C)NC1COC;ADIYLAQATTUOTM-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177115;MM177115;COCC1NC1(C)C=O;ITTJPDMQDLCDBO-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177116;MM177116;COCC1NC1(C)C#N;ODDGLVNJBGLGEQ-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177117;MM177117;C=CC1(C)OC1CCC;WURJYSQXAKILNA-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177118;MM177118;C=CC1(C)OC1CCN;DSHOFSLDSXEMLK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177119;MM177119;C=CC1(C)OC1CCO;GQQGPTGERBLHAV-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177120;MM177120;C=CC1(C)OC1CCF;PILPBROYBHXHIR-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177121;MM177121;CCCC1OC1(C)C=O;MSWCHSIWAGULIC-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177122;MM177122;CCCC1OC1(C)C#N;HJUBUWWTDWPXTH-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177123;MM177123;CC1(C=O)OC1CCO;VEAZMNDQBSSCPD-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177124;MM177124;CC1(C#N)OC1CCO;GDBMWLMBSUVKKA-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177125;MM177125;CC1(C=O)OC1CCF;ZTBUOBOZGKCTCC-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177126;MM177126;CC1(C#N)OC1CCF;VGBXGDYPSIUDEF-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177127;MM177127;C=CC1(C)OC1CNC;AMIDNUPTIAOVHE-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177128;MM177128;CNCC1OC1(C)C=O;RULXYNAPJSRBJP-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177129;MM177129;CNCC1OC1(C)C#N;RYDDEYVTQRTPQU-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177130;MM177130;C=CC1(C)OC1COC;FJZSPINZGNDJSO-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177131;MM177131;COCC1OC1(C)C=O;FZPSFMUGVGIIKL-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177132;MM177132;COCC1OC1(C)C#N;LJJLSXSIPKRVKN-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177133;MM177133;C=CC1(C)CN1CCN;QPZLZVSPWAXJPS-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177134;MM177134;C#Cc1cc(CCC)n[nH]1;RTFCKDANPKCMBO-UHFFFAOYSA-N;134.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177135;MM177135;C=CC1(C)CN1CCF;TZOVDNGBJKWICF-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177136;MM177136;CCCN1CC1(C)C=O;FIZBVVNKPXHRPT-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177137;MM177137;CCCN1CC1(C)C#N;CWEUBOKDCDRMHQ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177138;MM177138;CNc1nc(=NN)n(O)o1;DVJQAGCOOPBWDX-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177139;MM177139;CC(=O)NNC(C)C;BCKXMOHZATYPNV-UHFFFAOYSA-N;116.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177140;MM177140;CC1(C=O)CN1CCF;KAMIQSQXNZZNRY-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177141;MM177141;C=CCC1CC1(C)C=C;ZFUFIQKKNFRJIE-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177142;MM177142;C=CC1(C)CC1CC=O;NBOLMAPNJDGPSJ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177143;MM177143;C=CC1(C)CC1CC#N;MHKKBBAVGKFUDR-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177144;MM177144;C=CCC1CC1(C)C=O;AUXXATWCAHNJGQ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177145;MM177145;C=CCC1CC1(C)C#N;MBKXXJFYIGHXST-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177146;MM177146;CC1(C=O)CC1CC=O;YDQWGQVYRRVZDX-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177147;MM177147;CC1(C=O)CC1CC#N;ODZROYPIDKNCMO-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177148;MM177148;CC1(C#N)CC1CC=O;FJSUCSUBZZZWQN-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177149;MM177149;CC1(C#N)CC1CC#N;GQLHOPXECJOHDR-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177150;MM177150;C=CCC1CC1(N)C=C;AJBVYJZCXHZABJ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177151;MM177151;C=CC(=C)C(=O)NN;FOIUJZFVNPATRR-UHFFFAOYSA-N;112.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177152;MM177152;C=CC1(O)CC1CC=O;BVVIFGMGGZHIQM-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177153;MM177153;C=CC1(O)CC1CC#N;NIPBWDZXSQEULG-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177154;MM177154;C=CCC1CC1(O)C=O;ZHVWXSZTHPQMDN-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177155;MM177155;C=CCC1CC1(O)C#N;NCGVGYFVXNZTCF-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177156;MM177156;O=CCC1CC1(O)C=O;XTSXDUFEUHUKLO-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177157;MM177157;N#CCC1CC1(O)C=O;IBICSAHFGMDTPW-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177158;MM177158;N#CC1(O)CC1CC=O;FPEUCFYWTMILKZ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177159;MM177159;N#CCC1CC1(O)C#N;HPKNVLNZIWQUPJ-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177160;MM177160;C=CCC1CC1(F)C=C;LWBJVPIMPSLQFJ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177161;MM177161;C=CC1(F)CC1CC=O;MRYXUUIWRZHVPJ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177162;MM177162;C=CC1(F)CC1CC#N;WHGKWVBNCRYSMB-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177163;MM177163;C=CCC1CC1(F)C=O;BJQKGRAANWDPAW-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177164;MM177164;C=CCC1CC1(F)C#N;QVUYPHHUYQPODB-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177165;MM177165;O=CCC1CC1(F)C=O;MGVBCKZRTFJQEB-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177166;MM177166;N#CCC1CC1(F)C=O;GHAXPMOOVUSETF-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177167;MM177167;N#CC1(F)CC1CC=O;AHXVZPZKYYVCFA-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177168;MM177168;N#CCC1CC1(F)C#N;OAEVSSVGXURNCZ-UHFFFAOYSA-N;124.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177169;MM177169;C=CC1(C)CC1NC=N;CDCHDVNMBCAJEZ-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177170;MM177170;CC(=NN)C(O)CO;IINFRVBBAZBUKM-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177171;MM177171;CC1(C=O)CC1N=CN;SYXQPVXPSUUDBL-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177172;MM177172;CC1(C#N)CC1NC=N;GKQZUDNNZZDTDO-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177173;MM177173;CC1(C=O)CC1NC=O;LZODUMBIPXIIPX-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177174;MM177174;CC1(C#N)CC1NC=O;RGPDQIPCJLCWTR-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177175;MM177175;C=CC1(N)CC1NC=N;MTJAYCIELMXHCN-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177176;MM177176;C=CC1(N)CC1NC=O;APOYUCCUVZHYFH-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177177;MM177177;C=CC1(O)CC1NC=N;QUZDBGAZJXRWSX-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177178;MM177178;C=CC1(O)CC1NC=O;UPCSSRZSVWEQPB-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177179;MM177179;NC=NC1CC1(O)C=O;FCGVASKCPWMLHL-UHFFFAOYSA-N;128.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177180;MM177180;N#CC1(O)CC1NC=N;AGDXSMPPUAUHBE-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177181;MM177181;O=CNC1CC1(O)C=O;OGPIEUVJGOUHQY-UHFFFAOYSA-N;129.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177182;MM177182;N#CC1(O)CC1NC=O;RAZAHFKXMLXWAL-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177183;MM177183;C=CC1(F)CC1NC=N;FCZKSCCZZZWJHY-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177184;MM177184;C=CC1(F)CC1NC=O;YMOPIZNJSKQIDT-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177185;MM177185;N=CNC1CC1(F)C=O;IKPIQJQIFKDFPO-UHFFFAOYSA-N;130.12;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177186;MM177186;N#CC1(F)CC1NC=N;BHZVNACQXKRJEW-UHFFFAOYSA-N;127.12;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177187;MM177187;O=CNC1CC1(F)C=O;YXRWTXLWYNBCCR-UHFFFAOYSA-N;131.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177188;MM177188;N#CC1(F)CC1NC=O;AXRCPRPUVVXFNI-UHFFFAOYSA-N;128.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177189;MM177189;C=CC1(C)CC1NN=C;ZEHJKYNLKRRDSY-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177190;MM177190;C=NNC1CC1(C)C=O;QDBYSZWZFZBPBO-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177191;MM177191;Nc1cc(N=O)c[nH]1;WYXZTIBWVGQHRG-UHFFFAOYSA-N;111.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177192;MM177192;C=CC1(N)CC1NN=C;RGWVKEKZOBLQQJ-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177193;MM177193;CNCC(F)(C#N)CO;JKSICVGVNYZTND-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177194;MM177194;CNN=C(C)C(O)CO;AHUTUBKBDMTTSM-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177195;MM177195;CC1CC1CC(=O)NN;BGAUBQSHQBQIKF-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177196;MM177196;C=CC1(F)CC1NN=C;ZYVDXXSQKUDTOR-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177197;MM177197;COc1nc(=N)n(O)o1;XTXUHLHYHBSIPG-UHFFFAOYSA-N;131.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177198;MM177198;NN=c1nc(N)on1O;PCYCKOCHVLHINI-UHFFFAOYSA-N;131.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177199;MM177199;C=COC1CC1(C)C=C;AVFQHJCSPTVFLR-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177200;MM177200;C=CC1(C)CC1OC=O;IIMOSPSEXPPRIK-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177201;MM177201;C=COC1CC1(C)C=O;BMTYGFVSSDNGOM-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177202;MM177202;C=COC1CC1(C)C#N;NCVVNHYWJNLPCA-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177203;MM177203;CC1(C=O)CC1OC=O;UJSLUFMICXZGME-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177204;MM177204;CC1(C#N)CC1OC=O;MHAOAIVFDYTYNK-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177205;MM177205;C=COC1CC1(N)C=C;NOPYEJDKCWCEOY-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177206;MM177206;C=CC1(N)CC1OC=O;CVGSFBXJPIUZCG-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177207;MM177207;C=COC1CC1(O)C=C;BZJONJXCVINRTN-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177208;MM177208;C=CC1(O)CC1OC=O;JJUVCMXTZSRMGG-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177209;MM177209;C=COC1CC1(O)C=O;ODAVHKVHAOJCBK-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177210;MM177210;C=COC1CC1(O)C#N;KIDFIYUFHKHANG-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177211;MM177211;O=COC1CC1(O)C=O;UFLBCKPCENBDLH-UHFFFAOYSA-N;130.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177212;MM177212;N#CC1(O)CC1OC=O;IAEGFPUWFWWQJG-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177213;MM177213;C=COC1CC1(F)C=C;BYQSMVFKLWWPBT-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177214;MM177214;C=CC1(F)CC1OC=O;PSIJPNULDUQTND-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177215;MM177215;C=COC1CC1(F)C=O;RWNLYONEZJJQRT-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177216;MM177216;C=COC1CC1(F)C#N;IMOKSFSVTWUVMM-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177217;MM177217;O=COC1CC1(F)C=O;WLSMIHADGNSNIZ-UHFFFAOYSA-N;132.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177218;MM177218;N#CC1(F)CC1OC=O;BYFVFMISPMOZKK-UHFFFAOYSA-N;129.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177219;MM177219;C=CC1(C)CC1ON=C;LNVAPWFCXJGSIK-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177220;MM177220;C=NOC1CC1(C)C=O;FENNFKQTXXXCAA-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177221;MM177221;C=NOC1CC1(C)C#N;UBIXEGDLTXXMMO-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177222;MM177222;C=CC1=NOC(=O)C1C;HBEUYMJXSIDPOY-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177223;MM177223;NNC(=O)CCC1CC1;ZQLNRLQLQMQUPZ-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177224;MM177224;C=NOC1CC1(O)C#N;BAJJUOBGOZNXEA-UHFFFAOYSA-N;126.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177225;MM177225;C=CC1(F)CC1ON=C;LJLYCIZTZQRMLI-UHFFFAOYSA-N;129.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177226;MM177226;C=NOC1CC1(F)C=O;AFXUSIPJJMTKLK-UHFFFAOYSA-N;131.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177227;MM177227;C=NOC1CC1(F)C#N;FRIDELIPJZUYLL-UHFFFAOYSA-N;128.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177228;MM177228;CC(C)(O)C(=O)N(N)C=N;IHPFIXJNHUFNII-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177229;MM177229;C=CC1(C)NC1CC#N;QYYISQXZWVGSRY-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177230;MM177230;C=CCC1NC1(C)C=O;MJLLTKBAIQBZMQ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177231;MM177231;C=CCC1NC1(C)C#N;HZOLSCIXJSVNTN-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177232;MM177232;CN(C)CC(F)(C#N)CO;IYSCRYYFYBNFTB-UHFFFAOYSA-N;146.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177233;MM177233;CC1(C=O)NC1CC#N;DTCVZWBGQKQHTP-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177234;MM177234;C=CC(=O)NNCC(=C)C;CZPSSIGZFXMHMT-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177235;MM177235;CC1(C#N)NC1CC#N;UOFMCWDISJMKEC-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177236;MM177236;C=CCC1OC1(C)C=C;HAKNOXZIYNLQPY-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177237;MM177237;C=CC1(C)OC1CC=O;VLWMJYVGMQOECG-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177238;MM177238;C=CC1(C)OC1CC#N;WJNFCMJRGXLICP-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177239;MM177239;C=CCC1OC1(C)C=O;LUDGTMHXWIGLJJ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177240;MM177240;C=CCC1OC1(C)C#N;IAUWXDXJJFODID-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177241;MM177241;CC1(C=O)OC1CC=O;ATHWXRGJCJOGDE-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177242;MM177242;CC1(C=O)OC1CC#N;MJTYKFJAEVRNQK-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177243;MM177243;CC1(C#N)OC1CC=O;WAAZYUHMCIWVHF-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177244;MM177244;CC1(C#N)OC1CC#N;XHZQBBRPABGVIH-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177245;MM177245;C=CCN1CC1(C)C=C;CZXURQQDJYSJRL-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177246;MM177246;CC(C)=CCNC(=O)NN;SKVPNVSOCSYYSV-UHFFFAOYSA-N;143.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177247;MM177247;C=CC1(C)CN1CC#N;XFXZYIFHUUZYEO-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177248;MM177248;C=CCN1CC1(C)C=O;RCBVVGPMLMBGFP-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177249;MM177249;C=CCN1CC1(C)C#N;JKKQFHBNGNMRRH-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177250;MM177250;CC(=NN(C)C)C(O)CO;ZWKNOBAXKISRBW-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177251;MM177251;CC1(C=O)CN1CC#N;HIADRZGBFOXQMQ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177252;MM177252;CCC=CCNNC(C)=O;ZZHYBFLJGVLNPX-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177253;MM177253;CC1(C#N)CN1CC#N;KBRDDGUKWRFLPV-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177254;MM177254;C=CC1(C)CN1NC=N;ITRCNCICGLFEMJ-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177255;MM177255;C=CC1(C)CN1NC=O;NPRRGSXWANLGER-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177256;MM177256;CC1(C=O)CN1N=CN;ZGSHXCGTUKTZLA-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177257;MM177257;CC1(C#N)CN1NC=N;JDAMGUVPQZFUMO-UHFFFAOYSA-N;124.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177258;MM177258;CC1(C=O)CN1NC=O;LSROXNSVFQXGQQ-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177259;MM177259;CC1(C#N)CN1NC=O;CFEBXQVIIINWGY-UHFFFAOYSA-N;125.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177260;MM177260;C#CCC1CC1(C)C=C;WJCCKEDOSWFETO-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177261;MM177261;C#CCC1CC1(C)C=O;HYINUKNKPQHVPV-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177262;MM177262;C#CCC1CC1(C)C#N;XIRVMNPQDKQNBQ-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177263;MM177263;C#CCC1CC1(N)C=C;FCKBIXICNAHGPA-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177264;MM177264;N=c1c(N)nc(=O)on1O;UATCLJRTAZFBON-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177265;MM177265;C#CCC1CC1(O)C=O;DBRPXEFNJLSEQH-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177266;MM177266;C#CCC1CC1(O)C#N;MDUWATKPAFLYHC-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177267;MM177267;C#CCC1CC1(F)C=C;QRWHTESVPSANQZ-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177268;MM177268;C#CCC1CC1(F)C=O;JSOIOWXQICUKAL-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177269;MM177269;C#CCC1CC1(F)C#N;XEFITFQCGCITKU-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177270;MM177270;C#CCC1NC1(C)C=O;KPCSSHBRRWLFLG-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177271;MM177271;C#CCC1NC1(C)C#N;XWXVUYLRIAHWIX-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177272;MM177272;C#CCC1OC1(C)C=C;UKJLUUSYSHSTHK-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177273;MM177273;C#CCC1OC1(C)C=O;XDNNGDSMCAFGOT-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177274;MM177274;C#CCC1OC1(C)C#N;AWBHPCMWLUHSEL-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177275;MM177275;C#CCN1CC1(C)C=C;GPKHVVLVRQJSEC-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177276;MM177276;C#CCN1CC1(C)C=O;CNZCEEALNQFRLM-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177277;MM177277;C#CCN1CC1(C)C#N;JFDBHNWZLZKICP-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177278;MM177278;C#CC1(C)CC1CCC;OOJKHZZICUQLEY-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177279;MM177279;C#CC1(C)CC1CCN;OKRIWGCCLFCTTE-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177280;MM177280;CNC(=NO)NC(C)C=O;CCJCYPULSWKJKR-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177281;MM177281;C#CC1(C)CC1CCF;IIHVEHMKCFZFHQ-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177282;MM177282;C#CC1(N)CC1CCC;PADONRMQJKKNNO-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177283;MM177283;C#CC1(N)CC1CCN;GRRRDOIOHWLZLI-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177284;MM177284;C#CC1(N)CC1CCO;QMGJWAVIGBGUOJ-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177285;MM177285;C#CC1(N)CC1CCF;QVLPVVZREMPXST-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177286;MM177286;C#CC1(O)CC1CCC;FBIOJJMATYWTQP-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177287;MM177287;C#CC1(O)CC1CCN;XHKPUGXHANNZOK-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177288;MM177288;C#CC1(O)CC1CCO;UZTVYVMNDQLCSV-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177289;MM177289;C#CC1(O)CC1CCF;AODKHWDSUYHDAC-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177290;MM177290;C#CC1(F)CC1CCC;RDWNUUZVRAIQJA-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177291;MM177291;C#CC1(F)CC1CCN;QWOSNZMYBGKPQE-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177292;MM177292;C#CC1(F)CC1CCO;HIXAPHPLUZSWTN-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177293;MM177293;C#CC1(F)CC1CCF;CJEANGPSNTZFBF-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177294;MM177294;C#CC1(C)CC1CNC;WCQKOUMLUICCSY-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177295;MM177295;C#CC1(N)CC1CNC;KZPFSRWRPRKWNF-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177296;MM177296;C#CC1(O)CC1CNC;JSOYYQBPBFLENF-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177297;MM177297;C#CC1(F)CC1CNC;IMZLPPLLNIIRMJ-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177298;MM177298;C#CC1(C)CC1COC;VCSSVRKELJHUIM-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177299;MM177299;C#CC1(N)CC1COC;BKIRSOPUPTWKPY-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177300;MM177300;C#CC1(O)CC1COC;WZPOXPAHWOISBW-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177301;MM177301;C#CC1(F)CC1COC;SYHSNAOBEYOCIB-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177302;MM177302;C#CC1(C)CC1NCC;WSNMHSYFAYTKDX-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177303;MM177303;C#CC1(N)CC1NCC;POYQKMHKRNZPPE-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177304;MM177304;C#CC1(O)CC1NCC;HNLPWKMJNGEFQV-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177305;MM177305;C#CC1(C)CC1OCC;MVMRXVYQENVENU-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177306;MM177306;C#CC1(O)CC1OCC;OWDRACMNTFTUTE-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177307;MM177307;C#CC1(F)CC1OCC;LZXOLGQCLPEKNY-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177308;MM177308;C#CC1(C)NC1CCC;DDOPCXKNMUHKPL-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177309;MM177309;C#CC1(C)NC1CCN;KCFUVXPAGUWSSW-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177310;MM177310;CNN=CC(C)C(O)C=O;JXKVZESETYQILX-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177311;MM177311;C#CC1(C)NC1CCF;MQQWWLCDWAEXTO-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177312;MM177312;C#CC1(C)NC1CNC;TWLIUKVHMHXUDE-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177313;MM177313;C#CC1(C)NC1COC;YRSVQVXWVXCYFJ-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177314;MM177314;C#CC1(C)OC1CCC;MUSLWXBAAPVXBP-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177315;MM177315;C#CC1(C)OC1CCN;YIFXUUSJKYYWPZ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177316;MM177316;C#CC1(C)OC1CCO;NWHNHZCZNBQHJQ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177317;MM177317;C#CC1(C)OC1CCF;REKYWJDKKBWXOQ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177318;MM177318;C#CC1(C)OC1CNC;DFYGJYSYVBUFCZ-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177319;MM177319;C#CC1(C)OC1COC;ZBGQMPTZDKDVHV-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177320;MM177320;C#CC1(C)CN1CCC;BAIUNNYHDFMGHG-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177321;MM177321;C#CC1(C)CN1CCN;MNSJPPMVVNNPBD-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177322;MM177322;CON=CC(C)C(O)C=O;HPMZFOUZWNAKGL-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177323;MM177323;C#CC1(C)CN1CCF;QESTUERUZDBMET-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177324;MM177324;C#CC1(C)CC1CC=C;YQXHLSLBHRFEBR-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177325;MM177325;C#CC1(C)CC1CC=O;CDENYJDJTVUIIW-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177326;MM177326;C#CC1(C)CC1CC#N;XTLOYUUNIMNGFD-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177327;MM177327;C#CC1(N)CC1CC=C;RBQKZXIUYHAGBW-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177328;MM177328;C#CC1(O)CC1CC=C;YQXVYNYJAXGZAD-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177329;MM177329;C#CC1(O)CC1CC=O;ZTMIKDUYAWMKKN-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177330;MM177330;C#CC1(O)CC1CC#N;ZKBYXKCKCQYGDY-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177331;MM177331;C#CC1(F)CC1CC=C;JLHYQXYQZRIYMI-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177332;MM177332;C#CC1(F)CC1CC=O;RHXUZZYRHLKHLB-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177333;MM177333;C#CC1(F)CC1CC#N;COKBEYBXSBFZIG-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177334;MM177334;C#CC1(C)CC1NC=N;RZCWEWSFAKQOTR-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177335;MM177335;C#CC1(N)CC1NC=N;HZUYELPKLFOBMI-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177336;MM177336;C#CC1(O)CC1NC=N;SACKDRHDPXMBSX-UHFFFAOYSA-N;124.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177337;MM177337;C#CC1(O)CC1NC=O;RLEPVWVFNNWTSS-UHFFFAOYSA-N;125.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177338;MM177338;C#CC1(F)CC1NC=N;FYLKFWDAHCGBAA-UHFFFAOYSA-N;126.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177339;MM177339;C#CC1(F)CC1NC=O;OANRWGUPWTZEPK-UHFFFAOYSA-N;127.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177340;MM177340;C#CC1(C)CC1NN=C;KXCPROLJIYWOMP-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177341;MM177341;C=CCCN(CC)NC=O;LADHFVADBLXKQE-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177342;MM177342;C#CC1(F)CC1NN=C;SFWUAYWIGKBKAN-UHFFFAOYSA-N;126.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177343;MM177343;C#CC1(C)CC1OC=C;NHSVEEWHBCUKLD-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177344;MM177344;C#CC1(C)CC1OC=O;ITENOGCBCDXCMD-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177345;MM177345;C#CC1(O)CC1OC=C;OGUKTENZXYSREH-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177346;MM177346;C#CC1(O)CC1OC=O;YAONPOBZDUWGEG-UHFFFAOYSA-N;126.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177347;MM177347;C#CC1(F)CC1OC=C;MXLUPFVXZRXHPZ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177348;MM177348;C#CC1(F)CC1OC=O;WBUPZUBYFOXTRG-UHFFFAOYSA-N;128.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177349;MM177349;C#CC1(C)CC1ON=C;VUUKRWOOKLWPJX-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177350;MM177350;C=CC(C(=C)C)C(=O)NN;CLFWJRWDEOSLOR-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177351;MM177351;C#CC1(F)CC1ON=C;PNMLNFIFQQTFNU-UHFFFAOYSA-N;127.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177352;MM177352;C#CC1(C)NC1CC=C;ZSECJYJRPVWYLL-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177353;MM177353;C=CC(NNC=O)C(=C)C;GLDJFHSELYFUJF-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177354;MM177354;C#CC1(C)NC1CC#N;FASXLYOYINTXDF-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177355;MM177355;C#CC1(C)OC1CC=C;MICXKSXBFIUSTE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177356;MM177356;C#CC1(C)OC1CC=O;STXYKQMPYKFQJI-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177357;MM177357;C#CC1(C)OC1CC#N;BHBMQBSYWSONSF-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177358;MM177358;C#CC1(C)CN1CC=C;TVIMWYXNVSKQGX-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177359;MM177359;N=c1n(N)c(F)c(F)n1O;YPZZKGIZOBITIF-UHFFFAOYSA-N;150.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177360;MM177360;C#CC1(C)CN1CC#N;JETJMUDWHPTNPQ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177361;MM177361;C#CC1(C)CN1NC=N;CWFGKOUJCHASAN-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177362;MM177362;C#CC1(C)CN1NC=O;RHTJCZKWDSNFJB-UHFFFAOYSA-N;124.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177363;MM177363;C#CCC1CC1(C)C#C;KDMQLVHDIGXXLX-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177364;MM177364;C#CCC1CC1(N)C#C;JSWAZXGWGMSNLG-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177365;MM177365;C#CCC1CC1(O)C#C;FGOBFUOBZOXWTJ-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177366;MM177366;C#CCC1CC1(F)C#C;HIFWNSASBANPSY-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177367;MM177367;C#CCC1NC1(C)C#C;FOXQMBUKQBBOJU-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177368;MM177368;C#CCC1OC1(C)C#C;WDXBMKNZBOPMLE-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177369;MM177369;C#CCN1CC1(C)C#C;ASAYMBXOQLMDAY-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177370;MM177370;CCC(=NN)C(O)COC;KXUMGVRFXCARQH-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177371;MM177371;CCC1(F)CCCC1C;CDMVNQBWXIYOOQ-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177372;MM177372;CC1CCCC1(F)CN;OMMSERIRJNYBBZ-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177373;MM177373;CC1(CN)CNCC1N;SXDGXKWCDMMGBV-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177374;MM177374;CC1CNCC1(N)CO;XNKFYTIWYLUZRR-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177375;MM177375;NCC1(N)CNCC1N;SWIYNOXXDAJGIN-UHFFFAOYSA-N;130.2;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177376;MM177376;CCC1(F)CNCC1C;PUCNZXJPCDRGGQ-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177377;MM177377;CC1(CN)COCC1N;NLWLBRYWLFLLOT-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177378;MM177378;CC1(CO)COCC1N;PFVARNJSAKTDSL-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177379;MM177379;CC1NCCC1(C)CN;BZARXQWNBBDVRK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177380;MM177380;CCC1(N)CCNC1C;HJQRUCJLHRJSFU-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177381;MM177381;CC1OCCC1(C)CO;MVMHXMDGVYSXMR-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177382;MM177382;CC1OCCC1(N)CO;QHKYGZYOGSFYEK-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177383;MM177383;CN1CCCC1(C)CN;BEGAGOQBISEITR-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177384;MM177384;CN1CCCC1(C)CO;JJORCXGBWIYVCK-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177385;MM177385;C=CC1(C)CCCC1C;LFCHKYNKMFQYIR-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177386;MM177386;C=CC1(C)CCCC1N;YCUQIMDRKUKTKX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177387;MM177387;C=CC1(N)CCCC1C;MCBHTQZYCBOOPC-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177388;MM177388;C=CC1(N)CNCC1N;IKHNBPDCBTWVHQ-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177389;MM177389;C=CC1(C)COCC1C;DCCXDIOXBQANRX-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177390;MM177390;C=CC1(C)CCOC1C;PTIXSLPTBSSYNY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177391;MM177391;C=CC1(N)CCOC1C;KIFUUTLVSYZUTH-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177392;MM177392;C=CC1(O)CCOC1C;OVOGQXMGSHRPOE-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177393;MM177393;C=CC1(C)CCCN1C;ZYCPCYRSHDFJGN-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177394;MM177394;CN1CCCC1(C)C#N;OIWKXDDULMDXSW-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177395;MM177395;C#CC1(C)NCCC1C;CNYIVALIXRLQQQ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177396;MM177396;C=C1CCCC1(C)NC;XJXMWVYAJGQPTL-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177397;MM177397;C=C1CNCC1(C)NC;RMDPXSYPLCWYJP-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177398;MM177398;C=C1CNCC1(C)OC;KEFLGENGBDRSRF-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177399;MM177399;C=C1COCC1(C)OC;ZNKWXHCIEPYEBJ-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177400;MM177400;CNC1(C)CCNC1=N;IITBTLPMQYITPE-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177401;MM177401;CNC1(C)CCNC1=O;DEPDKRRAGSBISE-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177402;MM177402;COC1(C)CCNC1=N;QRXMYLAGYYDDFE-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177403;MM177403;C=C1OCCC1(C)NC;NURFGJMIIYDJQE-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177404;MM177404;C=CC1(N)CCCC1=C;QLBLJBSVNZSCQO-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177405;MM177405;C=C1COCC1(C)C#N;FXGVNXQDZQMNMX-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177406;MM177406;CC1(C#N)CNNC1=O;NUWLKVULBLQKRT-UHFFFAOYSA-N;125.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177407;MM177407;C=C1OCCC1(O)C#N;UEDIMOGAYBJFLS-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177408;MM177408;C#CC1(C)COCC1=C;DGWHCIOFFDKQFJ-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177409;MM177409;C#CC1(C)CNNC1=O;SUVPRRGKVLYHCY-UHFFFAOYSA-N;124.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177410;MM177410;C=C(NC=O)C(=NN)OC;AFNBYOHMZKOTOU-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177411;MM177411;CN=c1nc(OC)on1O;XHUZILXJSUSHNX-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177412;MM177412;CCC1(N)CC=CC1C;KSXIOTPSUJZQSK-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177413;MM177413;CC1C=CCC1(N)CO;SPKMFCFPSMWIFM-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177414;MM177414;NCC1(O)CC=CC1N;BENQFLYMYLRWPO-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177415;MM177415;CCC1(F)CC=CC1C;HVZALNWRXWVBON-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177416;MM177416;CCC1(F)CC=CC1N;XKJBYCJBSBDDSU-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177417;MM177417;C#Cc1n[nH]c(NC)c1F;OEXOIYSISHEFBW-UHFFFAOYSA-N;139.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177418;MM177418;C=C1C=CCC1(C)NC;GHICSQURRCGBIS-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177419;MM177419;CNC1(C)CC=CC1=O;LQMMXZKQAAJJKP-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177420;MM177420;C=C1C=CCC1(C)OC;RJULIPIFWNQJHG-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177421;MM177421;C=CC1(N)CC=CC1=C;HRBUIJBQYABARJ-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177422;MM177422;C#CC1(O)CC=CC1=O;WFQUURAZJJTSCO-UHFFFAOYSA-N;122.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177423;MM177423;CNC1(C)C=CCC1C;KTWJEZBCQNEAIM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177424;MM177424;CCC1(C)C=CCN1C;DJWFEYOJEUPKRH-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177425;MM177425;CN1CC=CC1(C)CO;XGOGLZAIXXFSGZ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177426;MM177426;C=CC1(C)C=CCN1C;XVBYJKASBIVHQN-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177427;MM177427;CN1CC=CC1(C)C#N;STOZFWHGDSYHGD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177428;MM177428;C#CC1(C)C=CCN1C;XWRCFKQTADWQFX-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177429;MM177429;C=C1CC=CC1(C)NC;YDCDTLCLHDRTOF-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177430;MM177430;COC1(C)C=CCC1=O;MPJGLRRDBSCBGY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177431;MM177431;COC1(C)C=CNC1=N;JTMSJAOIWZKJMK-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177432;MM177432;C=CC1(N)C=CCC1=C;KCPVKPYZHPLRTN-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177433;MM177433;C#CC1(O)C=CCC1=C;APGIWUSNHIRCOX-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177434;MM177434;CNN=CNNC=O;FUDFWMUZLOQNDI-UHFFFAOYSA-N;116.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177435;MM177435;C#CC1(O)C=NNC1=N;JDLNORXCQPVXRW-UHFFFAOYSA-N;123.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177436;MM177436;C#CC1(N)C=NOC1=O;RKOCINCFHLNUGC-UHFFFAOYSA-N;124.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177437;MM177437;Nc1nc(=O)n(N)n1O;UYROBNSFMDUDIK-UHFFFAOYSA-N;131.1;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177438;MM177438;COC1(C)CCC=C1C;GLAZHXIGNQQPFL-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177439;MM177439;COC1(C)COC=C1C;TZMPJSDDEKVJOY-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177440;MM177440;C=CC1(N)CCC=C1C;FUGYAOJLSKCLCX-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177441;MM177441;Cn1c(N)cc(F)c1O;OEXYHGWLWQPUMJ-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177442;MM177442;CC1=NOCC1(C)C=O;IVLQPZPGAZZDBK-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177443;MM177443;C=CC1(C)NCC=C1C;UQBGXRLAUQHGFS-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177444;MM177444;CCC1(N)C=CC=C1C;DXDPSZPFLXWIMK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177445;MM177445;CC1=CC=CC1(N)CN;HVUOSOTXQSARND-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177446;MM177446;COn1cnn(O)c1=N;PNTXEOUVTRZQGC-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177447;MM177447;CNC1(C)C=CC=C1C;HBZFUCFYTOPJGO-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177448;MM177448;CC(N)(C(N)=O)C(F)(F)F;DBXWPZVBJVSGEE-UHFFFAOYSA-N;156.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177449;MM177449;CC1=CC=CC1(O)C#N;FBMRNGTXEFTKET-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177450;MM177450;CC1=NN=CC1(O)C=O;CLQLMFFIDVJFGC-UHFFFAOYSA-N;126.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177451;MM177451;CC(CCN)C1(C)CC1;UJANHZHQGMHCSM-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177452;MM177452;C=CN(N)C(=O)C(C)(C)O;OFPVZSYDPCUINF-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177453;MM177453;CC(CCF)C1(C)CC1;VYKXWYLSOALTNV-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177454;MM177454;CCCC(N)C1(C)CC1;YMCFGCVSYVQZGM-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177455;MM177455;CC1(C(O)CCN)CC1;ZDQCTIIHJYNJJS-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177456;MM177456;CC(CCN)C1(N)CC1;URKLJUAUJCSUCA-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177457;MM177457;CC(CCO)C1(N)CC1;HOVNLHWCCSVUIO-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177458;MM177458;CCCC(N)C1(N)CC1;DLCFFKASBFLJQZ-UHFFFAOYSA-N;128.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177459;MM177459;NCCC(N)C1(N)CC1;FETJUISLYLQDJT-UHFFFAOYSA-N;129.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177460;MM177460;NC(CCO)C1(N)CC1;MLMRPYSGCCKOQE-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177461;MM177461;CCCC(O)C1(N)CC1;GAJHXDIMDCLFOD-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177462;MM177462;CCNNC(=O)C(C)(C)C;IRUBOONXISKXKF-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177463;MM177463;CC(CCF)C1(O)CC1;HDWGRAXWYCUYIT-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177464;MM177464;CCCC(N)C1(O)CC1;IXUXMZUXONFTEJ-UHFFFAOYSA-N;129.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177465;MM177465;NCCC(N)C1(O)CC1;VYFSLJNTEYRIDA-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177466;MM177466;NC(CCO)C1(O)CC1;NNFBRMWDXOGUDJ-UHFFFAOYSA-N;131.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177467;MM177467;CCCC(O)C1(O)CC1;RACDBAMJRKCXQZ-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177468;MM177468;CCCC(C)C1(F)CC1;GAAMCISNXFIVIQ-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177469;MM177469;CC(CCN)C1(F)CC1;XCBBCGUIQVFSAD-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177470;MM177470;CC(CCO)C1(F)CC1;XFSAJTKIFMPPAZ-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177471;MM177471;CCCC(N)C1(F)CC1;NZZHXKRVDVKVMU-UHFFFAOYSA-N;131.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177472;MM177472;CCCC(O)C1(F)CC1;OOBMLOODJQCUFZ-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177473;MM177473;CNCC(C)C1(C)CC1;YQWGUABYYHCHAN-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177474;MM177474;CNCC(N)C1(C)CC1;PNZLWHFZOLCPJG-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177475;MM177475;CNCC(C)C1(N)CC1;SQHKYMBXTAUQAQ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177476;MM177476;CNCC(C)C1(O)CC1;UZMGEADDFZTYFQ-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177477;MM177477;CNCC(C)C1(F)CC1;PWMNDLZLOHLWRU-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177478;MM177478;COCC(C)C1(C)CC1;IVIJVJLAIUMKSC-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177479;MM177479;COCC(N)C1(C)CC1;SPRQCMOUQXQULY-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177480;MM177480;COCC(O)C1(C)CC1;BMQHAWAJRQOLPX-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177481;MM177481;COCC(C)C1(N)CC1;PBMYTIISKFUONF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177482;MM177482;COCC(N)C1(N)CC1;PJDFDJRRHMIPNU-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177483;MM177483;COCC(C)C1(O)CC1;HBHBIFNMBOVJRR-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177484;MM177484;COCC(N)C1(O)CC1;OTTBDHGPIHEUIJ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177485;MM177485;COCC(C)C1(F)CC1;PWIVYADQUHYFBZ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177486;MM177486;COCC(N)C1(F)CC1;CBYBHSWBAMUCMH-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177487;MM177487;CCNC(C)C1(C)CC1;RTEXFDJXGVUTPH-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177488;MM177488;CCNC(C)C1(N)CC1;CZQYCBJMOCEHIR-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177489;MM177489;CCNC(C)C1(O)CC1;VIOIVWLTLPRRDO-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177490;MM177490;CCNC(C)C1(F)CC1;YKXOMOJKXVRBNL-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177491;MM177491;CCOC(C)C1(C)CC1;VIDMZXYOEWQSKH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177492;MM177492;CCOC(C)C1(N)CC1;MUPPLGHTLMACIG-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177493;MM177493;CCOC(C)C1(F)CC1;JXJHICUSEARJIY-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177494;MM177494;CCCN(C)C1(C)CC1;PTKBNVAFNHCZQV-UHFFFAOYSA-N;127.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177495;MM177495;CN(CCN)C1(C)CC1;VTHWTKGRXKOTRG-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177496;MM177496;CN(CCO)C1(C)CC1;JCYGLHCXJRKGDJ-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177497;MM177497;CC(CCN)C1(C)CN1;LBXPBVTVQSHPKB-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177498;MM177498;CC1(C(N)CCN)CN1;WCVQTWRFOULWNF-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177499;MM177499;CC1(C(N)CCF)CN1;RTQMTFAYTCXQEX-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177500;MM177500;CNCC(O)C1(C)CN1;KPKNNSZHVPQYHG-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177501;MM177501;COCC(N)C1(C)CN1;OVUPBKHIAWONEY-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177502;MM177502;CCNC(C)C1(C)CN1;DVOPSTOQAZWUEW-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177503;MM177503;CCCC(C)C1(C)CO1;UAEJZNHVTBNOSV-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177504;MM177504;CC(CCN)C1(C)CO1;IEBNLNZAIXHWLU-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177505;MM177505;CC(CCO)C1(C)CO1;MWPCANIVSPIGKE-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177506;MM177506;CCCC(O)C1(C)CO1;GKSKGUYVMPYMNX-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177507;MM177507;CC1(C(O)CCN)CO1;AAZVAJDYFLOXPJ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177508;MM177508;CC1(C(O)CCF)CO1;BTHLYPRVKYHDOC-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177509;MM177509;COCC(C)C1(C)CO1;OXLUPFPIXZOZIE-UHFFFAOYSA-N;130.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177510;MM177510;CCOC(C)C1(C)CO1;QVSDEYWBXGWJGY-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177511;MM177511;C=CCC(C)C1(C)CC1;UCRIKASMBGDEFA-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177512;MM177512;CC(CC=O)C1(C)CC1;WRCXSDQUJIOQIF-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177513;MM177513;CC(CC#N)C1(C)CC1;RZDSTKJLCCVWCX-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177514;MM177514;CC1(C(O)CC=O)CC1;NOWHXRRAQWVMAP-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177515;MM177515;CC1(C(O)CC#N)CC1;PBQMWWWDIZMTRV-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177516;MM177516;C=CCC(C)C1(N)CC1;BXEHZQBRIGEMFD-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177517;MM177517;C=CCC(N)C1(N)CC1;SGGVEDPBCMSISP-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177518;MM177518;C=CCC(O)C1(N)CC1;MFMQULNJDDJFEM-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177519;MM177519;CCN(NC=O)C(C)(C)C;ZKUZKCIPFSEMIY-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177520;MM177520;CC(CC=O)C1(O)CC1;BGGOCWYHCAPVPP-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177521;MM177521;CC(CC#N)C1(O)CC1;GOFUDJHRBMJIOF-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177522;MM177522;C=CCC(N)C1(O)CC1;IUSBKLXDMMVXPX-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177523;MM177523;C=CCC(C)C1(F)CC1;VCNJVJQREOIXLV-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177524;MM177524;CC(CC=O)C1(F)CC1;CFDLARUGCPKGDF-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177525;MM177525;CC(CC#N)C1(F)CC1;HEPAHABIEKANRZ-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177526;MM177526;CC(NC=N)C1(C)CC1;GXIPQVQVKLWZJT-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177527;MM177527;COCC(C)(O)C=NOC;XLWXFKJIMGLUMP-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177528;MM177528;CC(NC=N)C1(N)CC1;RJUMYMXRUACKBC-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177529;MM177529;CC(NC=O)C1(N)CC1;TULJXXJWEJEVNL-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177530;MM177530;CC(NC=N)C1(O)CC1;SHFCRUZZKTYNLJ-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177531;MM177531;CC(NC=O)C1(O)CC1;STGAVEDGZANRHQ-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177532;MM177532;CC(NC=N)C1(F)CC1;WZBJJBQNHSIGED-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177533;MM177533;CC(NC=O)C1(F)CC1;OHGIHTBUQVKOGL-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177534;MM177534;C=NNC(C)C1(C)CC1;VUAAVDQNTHOOKJ-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177535;MM177535;C=NNC(C)C1(N)CC1;KVSCKNNIRYKPIJ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177536;MM177536;CC(C)C(C)OC(=O)NN;HJRGDVKWSQSGTR-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177537;MM177537;C=NNC(C)C1(F)CC1;ZPXZXHDWWPAGKV-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177538;MM177538;C=COC(C)C1(C)CC1;XOAJXNUBOXFZBE-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177539;MM177539;CC(OC=O)C1(C)CC1;OGWNJBKOOCJGRE-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177540;MM177540;C=COC(C)C1(N)CC1;BYFPECTYYDKNLB-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177541;MM177541;C=COC(C)C1(O)CC1;OFBWUHLVIYSRAE-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177542;MM177542;CC(OC=O)C1(O)CC1;MNHKIGGBVOUUQJ-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177543;MM177543;C=COC(C)C1(F)CC1;OIFVSTFZQRKCPT-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177544;MM177544;C=NOC(C)C1(C)CC1;UUXPGEWBMYXXAE-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177545;MM177545;C=NOC(C)C1(N)CC1;CCFBAVHIZKTOPM-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177546;MM177546;C=NNC1CC(O)(C=O)C1;WNELWIHZIXYESW-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177547;MM177547;C=CCN(C)C1(C)CC1;HCKZFANOQDKWTA-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177548;MM177548;CN(CC#N)C1(C)CC1;AYWCTPAGTUKECU-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177549;MM177549;N=C(N)C(=O)C(O)CCO;DMQCXRQDLPGUEL-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177550;MM177550;C=CCC(F)C1(C)CN1;KADAOFYCWRMPMT-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177551;MM177551;CC(NC=N)C1(C)CN1;SDEZJIYCCGPDHJ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177552;MM177552;C=NOC(C)C1(C)CN1;VOIARQAUCSWKCN-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177553;MM177553;C=CCC(C)C1(C)CO1;BWZCZZQPGNZBEL-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177554;MM177554;CC(CC#N)C1(C)CO1;GROGKKGRWKODDS-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177555;MM177555;C=CCC(N)C1(C)CO1;NEMHXZLWZDFQEP-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177556;MM177556;C=CCC(O)C1(C)CO1;QPFNPEWCGDVMBO-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177557;MM177557;COC=C(C=NN)NC=O;WDPJBFPUHHAZBA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177558;MM177558;C=COC(C)C1(C)CO1;BLEUAKKPURZHDT-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177559;MM177559;C=NOC(C)C1(C)CO1;AYBUOEHSXKZXRD-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177560;MM177560;C#CCC(C)C1(C)CC1;YTTJGNJCZJXQTM-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177561;MM177561;C#CCC(N)C1(C)CC1;IWBPWSKXTNTZAA-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177562;MM177562;NN(C(=O)CO)C(=O)CO;HBBVBFKORJVFNW-UHFFFAOYSA-N;148.12;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177563;MM177563;C#CCC(C)C1(N)CC1;QJHIBWKFYVASCG-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177564;MM177564;C#CCC(N)C1(N)CC1;GIPORAKFQZPAEV-UHFFFAOYSA-N;124.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177565;MM177565;CC(=NOC=O)NNC=O;VJHMRMNBRMXTMZ-UHFFFAOYSA-N;145.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177566;MM177566;C#CCC(N)C1(O)CC1;DPMWUBVPVXLRCG-UHFFFAOYSA-N;125.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177567;MM177567;C#CCC(C)C1(F)CC1;LZVNBCTWOHFQNI-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177568;MM177568;C#CCC(N)C1(F)CC1;NPGOVJODEGHOMD-UHFFFAOYSA-N;127.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177569;MM177569;C#CCC(N)C1(C)CN1;CLZNKVAWYJTZHU-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177570;MM177570;C#CCC(F)C1(C)CN1;NGUFBPUSEYKSAP-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177571;MM177571;C=C(CCC)C1(C)CC1;DIVNKIUHESYSPE-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177572;MM177572;C=C(CCN)C1(C)CC1;LCYRXJLJJKIWEA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177573;MM177573;CCOCC(O)C(C)=NN;WHACVUBDQMUPMB-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177574;MM177574;C=C(CCF)C1(C)CC1;JDNJGHIDSKXOBT-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177575;MM177575;CC1(C(=O)CCO)CC1;FTDWPPBLEUXVHQ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177576;MM177576;C=C(CCC)C1(N)CC1;QLJIMTDFUYGCQU-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177577;MM177577;C=C(CCN)C1(N)CC1;LXAIUMXVRHSKPO-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177578;MM177578;C=C(CCO)C1(N)CC1;ZCDJVCJNILKIFX-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177579;MM177579;C#CC(=C)C(O)C=NOC;ICYFYNRPVNGPBU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177580;MM177580;C=C(CCN)C1(O)CC1;ZOAOLIPFMZSFHH-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177581;MM177581;CCCC(=O)C1(O)CC1;VHNRUDMRKLLYDC-UHFFFAOYSA-N;128.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177582;MM177582;C=C(CCC)C1(F)CC1;UPVCNTAIAMBLNG-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177583;MM177583;C=C(CCN)C1(F)CC1;DPBSWVXZWCOLBV-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177584;MM177584;C=C(CCO)C1(F)CC1;CIVQDFOZTUMUMP-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177585;MM177585;C=C(CCF)C1(F)CC1;MMTPNOYHCHAVCB-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177586;MM177586;C=C(CNC)C1(C)CC1;XRQXGCNDLUHKGU-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177587;MM177587;C=C(CNC)C1(N)CC1;FGDLTTZADWYJAB-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177588;MM177588;C=C(CNC)C1(O)CC1;XRXLWFXKPBPFCY-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177589;MM177589;C=C(CNC)C1(F)CC1;SFTYAROHCIXXLZ-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177590;MM177590;C=C(COC)C1(C)CC1;ZSNCJTPXMVZZBL-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177591;MM177591;COCC(=O)C1(C)CC1;NXUOHPGUGHKMGO-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177592;MM177592;C=C(COC)C1(O)CC1;YHFGVZBCJBDEHQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177593;MM177593;COCC(=O)C1(O)CC1;BJMWSICFQMACFA-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177594;MM177594;C=C(COC)C1(F)CC1;ZSTWUBNCTSSCGF-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177595;MM177595;CCNC(=N)C1(C)CC1;HSSKFRBCHFYUNB-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177596;MM177596;CNN=CC=CC(O)C=O;MPRNRRSFZOKATH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177597;MM177597;CCNC(=N)C1(N)CC1;VDAWUYZWDMDPCC-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177598;MM177598;CCNC(=N)C1(O)CC1;QBFXTYYSKYXWLN-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177599;MM177599;CCNC(=O)C1(O)CC1;XDOVHLMKDFKACT-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177600;MM177600;CCNC(=O)C1(F)CC1;DXLKNEHNFMMPNC-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177601;MM177601;CNNC(=N)C1(C)CC1;AOEKHCPFTVOOSG-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177602;MM177602;CON=CC=CC(O)C=O;XBJYIBBNRQKNPW-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177603;MM177603;CNNC(=N)C1(N)CC1;HMAGZBMTIKIQBA-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177604;MM177604;CNNC(=N)C1(O)CC1;XSVCWPZBYWDAJC-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177605;MM177605;CCOC(=NC)NNC=O;WVQBPLKSDNTTPI-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177606;MM177606;CNNC(=O)C1(F)CC1;UOAKHSOXHDJRGG-UHFFFAOYSA-N;132.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177607;MM177607;CONC(=N)C1(C)CC1;XNJALRSYCJSKRA-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177608;MM177608;CONC(=N)C1(N)CC1;KJSRZWYBFFMXHP-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177609;MM177609;CONC(=N)C1(O)CC1;RMVLHIIGDFPWEX-UHFFFAOYSA-N;130.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177610;MM177610;COn1cc(C)c(O)n1;BTPYXDWBFXHALX-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177611;MM177611;C#CC(CF)C(CO)=NO;MXUKYKHCGFZNHF-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177612;MM177612;C=C(OCC)C1(C)CC1;FMKZSHNLFIHBDR-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177613;MM177613;C=C(OCC)C1(N)CC1;PPVSIAINJBGXTO-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177614;MM177614;C=C(OCC)C1(O)CC1;QPIGFDCNDISQNW-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177615;MM177615;CCOC(=O)C1(O)CC1;DPMGQZGXWRHYPE-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177616;MM177616;CN(C)C(C#N)C(=O)CO;GZTYOFIWNYADPU-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177617;MM177617;C=C(CNC)C1(C)CN1;UOFBAUCLXGCGCC-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177618;MM177618;NN=c1on(N)c(N)c1O;JHTKFTFGKHRGQN-UHFFFAOYSA-N;145.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177619;MM177619;NN=CC1=CC=C(CF)C1;NOUOIIZYNVOBBR-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177620;MM177620;CNNC(=N)C1(C)CN1;LQEITQIRNWMQPI-UHFFFAOYSA-N;128.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177621;MM177621;C=CC(C)NNC=O;DKTMMKASNLVCOC-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177622;MM177622;C=C(OCC)C1(C)CN1;KHFUXLLMPRCKSB-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177623;MM177623;C=C(CCC)C1(C)CO1;WORMNSIKLIHGSG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177624;MM177624;C=C(CCN)C1(C)CO1;LFVRMFLTFFDSOJ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177625;MM177625;C=C(CCO)C1(C)CO1;JCQJCXGKMKSVOY-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177626;MM177626;CCCC(=O)C1(C)CO1;PZVLLHMPNISYER-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177627;MM177627;CCNC(=O)C1(C)CO1;DSQDGKNNNSIXNO-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177628;MM177628;CNNC(=N)C1(C)CO1;YQPCIXZYVLQUHN-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177629;MM177629;C=CCC(=C)C1(C)CC1;ZUABCHIOIWTJTI-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177630;MM177630;C=C(CC=O)C1(C)CC1;BOCAFVQAVXPSDV-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177631;MM177631;C=C(CC#N)C1(C)CC1;NPVAHBWRGZGZOF-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177632;MM177632;C=CCC(=O)C1(C)CC1;TXKUTHYJDPLEBK-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177633;MM177633;CC1(C(=O)CC#N)CC1;GSPAKADVCIANQO-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177634;MM177634;C=CCC(=C)C1(F)CC1;BAHIGIAMIHADEH-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177635;MM177635;C=C(CC=O)C1(F)CC1;MYNJJXRGZYGGOT-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177636;MM177636;C=C(CC#N)C1(F)CC1;AVGYBUGMEDSIBC-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177637;MM177637;C=C(NC=N)C1(C)CC1;UJIDACCVLBZPKW-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177638;MM177638;C=C(NC=O)C1(C)CC1;UNHNNOXKABNTRH-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177639;MM177639;C=CNC(=N)C1(C)CC1;STJASEADKDYADD-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177640;MM177640;CC1(C(=N)NC=N)CC1;MWIBMKOCBAKYEH-UHFFFAOYSA-N;125.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177641;MM177641;C=CC(=O)NNCC;MAVHDXJDBJTEGT-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177642;MM177642;C=CNC(=O)C1(C)CC1;AEWIINOYIGPXHP-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177643;MM177643;N=C1COC(=NN)N1;BXDUCSQLYKIFNU-UHFFFAOYSA-N;114.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177644;MM177644;CC1(C(=O)NC=O)CC1;UQEBBRDTWWYORU-UHFFFAOYSA-N;127.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177645;MM177645;C=C(NC=N)C1(N)CC1;RPSGYLOOWAGXKE-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177646;MM177646;C=CNC(=N)C1(N)CC1;CKAFVJTWPQVYSH-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177647;MM177647;N=CNC(=N)C1(N)CC1;PKRYIYDORKYGDK-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177648;MM177648;C=C(NC=N)C1(O)CC1;WNGJDLOCJGOJCH-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177649;MM177649;C=C(NC=O)C1(O)CC1;RWWUIEYDEKSUGV-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177650;MM177650;C=CNC(=N)C1(O)CC1;OEYVKLBUIFDNPJ-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177651;MM177651;N=CNC(=N)C1(O)CC1;JYHMKWUPOBYTLX-UHFFFAOYSA-N;127.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177652;MM177652;N=C(NC=O)C1(O)CC1;ZZBMTRKEYWCWPW-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177653;MM177653;C=CNC(=O)C1(O)CC1;UTVUHEGBJLQSJV-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177654;MM177654;N=CNC(=O)C1(O)CC1;GDOGAVJAJMDVFC-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177655;MM177655;O=CNC(=O)C1(O)CC1;JDEPKUWJBLLBDO-UHFFFAOYSA-N;129.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177656;MM177656;N=CNC(=N)C1(F)CC1;HPXPBBIBDHISAU-UHFFFAOYSA-N;129.14;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177657;MM177657;C=CNC(=O)C1(F)CC1;HWXJSULVOWMPLF-UHFFFAOYSA-N;129.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177658;MM177658;C=CC(N)=CC(=O)NN;GCEGZJVROROGDV-UHFFFAOYSA-N;127.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177659;MM177659;N#CC=C(N)C(O)CF;AKSYPGMHUZCANF-UHFFFAOYSA-N;130.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177660;MM177660;C=NNC(=O)C1(O)CC1;QLXNHQBCMMURFT-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177661;MM177661;C=NNC(=O)C1(F)CC1;BDNIWOGBDOBCAL-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177662;MM177662;C=COC(=C)C1(C)CC1;MRUPCARRHDCQNW-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177663;MM177663;C=C(OC=O)C1(C)CC1;ROMWBWCWQRHLOP-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177664;MM177664;C=COC(=O)C1(C)CC1;HJEKTSUNJHFUBT-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177665;MM177665;C=COC(=C)C1(N)CC1;HUFQCAQZRCDRAH-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177666;MM177666;C=COC(=C)C1(O)CC1;ZZQLHNLZZIGCQP-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177667;MM177667;C=C(OC=O)C1(O)CC1;FOFKRCXGLMCSGL-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177668;MM177668;C=COC(=O)C1(O)CC1;JNFZTWDXHRESCQ-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177669;MM177669;C=COC(=C)C1(F)CC1;DSCLXPUTTSNRNM-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177670;MM177670;C=NOC(=O)C1(C)CC1;ZDBIXFNDXASDQJ-UHFFFAOYSA-N;127.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177671;MM177671;C=C(CC#N)C1(C)CN1;YRTZTAZXMAJUCP-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177672;MM177672;C=C(NC=N)C1(C)CN1;ZRYKDPSXAAWJRA-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177673;MM177673;N=c1cnc(=O)on1O;RPWIBCLNZKKMNI-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177674;MM177674;C=CNC(=N)C1(C)CN1;YSVCNELXXRBRLB-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177675;MM177675;CC1(C(=N)NC=N)CN1;TYWURQZSRZBMEE-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177676;MM177676;C=C1OCC(=NN)C1=C;WOBBAIWYUFCGOS-UHFFFAOYSA-N;124.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177677;MM177677;C=C1C(O)C=NN1C=N;ATMCWCUGFNENHQ-UHFFFAOYSA-N;125.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177678;MM177678;C#Cc1c[nH]c(C=C)n1;JHHKIHKDDDBNFV-UHFFFAOYSA-N;118.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177679;MM177679;C=CC(O)C(C)(F)C=NN;FCCHTFRXWWOEBA-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177680;MM177680;C=COC(=C)C1(C)CN1;BZDZDMQXALGEAV-UHFFFAOYSA-N;125.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177681;MM177681;C=CCC(=C)C1(C)CO1;FSXDEUMAPQUHQN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177682;MM177682;C=C(CC=O)C1(C)CO1;IEGFAPAAYRBKEP-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177683;MM177683;C=C(CC#N)C1(C)CO1;YUJAOFQJSNZZPX-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177684;MM177684;C=C(NC=N)C1(C)CO1;QGZMNMBQYBNYTD-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177685;MM177685;C=C(NC=O)C1(C)CO1;OWJUAXWZEWAWBC-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177686;MM177686;C=CNC(=N)C1(C)CO1;KPBSPSCBZYJERG-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177687;MM177687;CC1(C(=O)NC=N)CO1;LNWCMMPSQDDFQO-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177688;MM177688;Cc1nc(=O)on(O)c1=N;VLGASHGLBDJLSI-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177689;MM177689;C=NNC(=O)C1(C)CO1;WKEYHIXQBHSFRL-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177690;MM177690;C=COC(=C)C1(C)CO1;ROCUJSXBSMZPKO-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177691;MM177691;C=C(OC=O)C1(C)CO1;GDXQUJOJAHPUJS-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177692;MM177692;C=COC(=O)C1(C)CO1;GWQZSMBDKLDZHD-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177693;MM177693;C#CCC(=C)C1(C)CC1;CCDPGIHDECFFKN-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177694;MM177694;C#CCC(=O)C1(C)CC1;JITPFXBJXHIZJN-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177695;MM177695;C#CCC(=O)C1(O)CC1;UEIKOMJSJLREOW-UHFFFAOYSA-N;124.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177696;MM177696;C#CCC(=C)C1(F)CC1;BIOHRCCIRMESGK-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177697;MM177697;C#CCC(=C)C1(C)CO1;DSQOGYTVZDDRKA-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177698;MM177698;CC1CC(C)C1(C)CN;MGIVHHAYMRTKID-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177699;MM177699;CCC1(C)C(C)CC1N;PLMHBUBGBXLQCF-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177700;MM177700;CC1CC(N)C1(C)CN;GYCIICRFFVKXQI-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177701;MM177701;CNC(=CC(=O)NN)NC;JBBKEZBNZYEQQN-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177702;MM177702;CC1CC(O)C1(C)CN;ASWJYKILEOPBHJ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177703;MM177703;CCC1(C)C(N)CC1N;PPNVVYFEROODNF-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177704;MM177704;CC1(CN)C(N)CC1O;IQBLZHPYQZTUSE-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177705;MM177705;CCC1(N)C(C)CC1C;ASLHGAMYCFFWRV-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177706;MM177706;CC1CC(N)C1(N)CN;YJSKKHVDRVWRCB-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177707;MM177707;CC1CC(C)C1(O)CN;DIOAMCWNPQAICL-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177708;MM177708;CCC1(C)C(C)NC1C;YWIJBXFJRTXVSC-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177709;MM177709;CC1NC(C)C1(N)CO;JKTJXGFFTIRRNT-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177710;MM177710;CC1OC(C)C1(C)CN;VGLGQIDLAMFMBI-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177711;MM177711;CC1OC(C)C1(C)CF;ZBMYZLUQCBHWJX-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177712;MM177712;CC1OC(C)C1(N)CO;SUBBIHZJMJPKFL-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177713;MM177713;CCC1(C)C(C)CN1C;BNJFEGNHQDEAMX-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177714;MM177714;CCC1(C)C(N)CN1C;CMUWSCKMHFSOQP-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177715;MM177715;CN1CC(O)C1(C)CN;QKBSIOIPTKTRNH-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177716;MM177716;C=CC1(N)C(C)OC1C;BTELOQJYQOQUKH-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177717;MM177717;C=CC1(C)C(N)CN1C;AEVRLMNWRAXBLQ-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177718;MM177718;COC(=NC(=O)CO)NN;JCFDXDPHWAFPFL-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177719;MM177719;CCC1(C)C(=O)CC1C;SXFWMKXNVOOUAP-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177720;MM177720;CC1CC(=O)C1(C)CO;DYDQFAYNMGVZST-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177721;MM177721;CC1CC(=O)C1(C)CF;UXABRRSDQLFQTO-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177722;MM177722;CCC1(C)C(=O)CC1O;AMFWQFPJRZRXGL-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177723;MM177723;CC1(CO)C(=O)CC1O;BSAGMRDVAVFRNE-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177724;MM177724;CCC1(O)C(=O)CC1C;PLGGOEVJGUNGQF-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177725;MM177725;CC1CC(=O)C1(O)CO;YGNYZLMXMNQQJS-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177726;MM177726;CNC1(C)C(=O)CC1C;FQQFMOSWQPABQJ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177727;MM177727;CC1NC(=O)C1(C)CN;CCJZYVIDRHNQBD-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177728;MM177728;CC1NC(=O)C1(C)CO;DTOVGPKWJVDTHE-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177729;MM177729;CC1NC(=O)C1(C)CF;NFIXFNDHCJEWRY-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177730;MM177730;CCC1(F)C(=O)NC1C;WOKUBHWALKDYPO-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177731;MM177731;COC1(C)C(=O)NC1C;ZBFRWQXKOUCPBE-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177732;MM177732;CC1OC(=O)C1(C)CN;CMLODXPPIRCGBI-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177733;MM177733;CC1OC(=O)C1(N)CN;VJQNDXYZRBULTD-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177734;MM177734;CNN(C)C(=O)NC=CF;XCTIZLVXRMFCHP-UHFFFAOYSA-N;147.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177735;MM177735;CNC1(C)C(=O)OC1C;WNAAWFCLKNZBOL-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177736;MM177736;COC1(C)C(=O)OC1C;MGEMIGXFYHNEHI-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177737;MM177737;Cn1c(F)c(F)n(O)c1=N;UZVURANVFUAMTP-UHFFFAOYSA-N;149.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177738;MM177738;C=CC1(C)C(=O)CC1C;CNPNIKSPONVVNK-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177739;MM177739;C=CC1(C)C(=O)CC1O;VWOUHHHVBNEDRT-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177740;MM177740;CC1NC(=O)C1(C)C#N;QQXRPHSYPPQINW-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177741;MM177741;C=CC1(C)C(=O)OC1C;WTUCVTBZFZGJIM-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177742;MM177742;CC1OC(=O)C1(C)C=O;SDZRHZKRLLPARJ-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177743;MM177743;CC1OC(=O)C1(C)C#N;QJLWXCWJLBXMBJ-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177744;MM177744;C=CC1(N)C(=O)OC1C;GJJRCDNSTGLKDF-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177745;MM177745;Cc1c(F)c(O)n(C)c1N;AEPWNRQDEDNZFC-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177746;MM177746;N=c1n(O)nc(CF)n1N;WLNVTLRUGSNVEJ-UHFFFAOYSA-N;147.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177747;MM177747;Cn1c(C#N)nn(O)c1=N;SRKCQROVRFVTTL-UHFFFAOYSA-N;139.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177748;MM177748;C#CC1(C)C(=O)NC1C;FAAMLVZEPUSXLG-UHFFFAOYSA-N;123.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177749;MM177749;C#CC1(C)C(=O)OC1C;YIKFWAUSHMVCSD-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177750;MM177750;C#CC1(N)C(=O)OC1C;WUEIQCOWEPFGRQ-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177751;MM177751;COC(=NN)C(O)CCO;LFCMJFLWFQVSRP-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177752;MM177752;CCCC(CC)CCC;XMROPFQWHHUFFS-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177753;MM177753;CCCC(CC)CCN;ASGAOGZVKDPMHV-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177754;MM177754;CCC(CCN)CCN;MTCKCLCZOHTJSH-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177755;MM177755;CCC(CCN)CCF;LIAFHXOKUMYVBH-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177756;MM177756;CCC(CCF)CCF;XOISCFHSPGNSIU-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177757;MM177757;CCCC(CN)CCN;LOHSIDYDRYHISC-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177758;MM177758;CCCC(CN)CCF;SGYMCGQGMSKVPY-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177759;MM177759;NCC(CCF)CCF;MVUHFQIISKSWME-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177760;MM177760;NCCC(CO)CCO;WOXNREIFRRHAEP-UHFFFAOYSA-N;133.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177761;MM177761;OCC(CCF)CCF;OBCQOWCXSYSZFX-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177762;MM177762;CCCC(CF)CCN;WYLDPDXHENMZJH-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177763;MM177763;CCCC(CF)CCF;OBYGHNMDPVDSRE-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177764;MM177764;CCC(CCN)CNC;PIBRVVKBFUOBCY-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177765;MM177765;CCC(CCF)CNC;OVABTEWCRXVSTD-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177766;MM177766;CCCC(CN)CNC;YDXQJUQIHSFABV-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177767;MM177767;CCCC(CO)CNC;FKSLOQMFBIVJFV-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177768;MM177768;CNCC(CO)CCO;XWJJZWZFQTUODL-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177769;MM177769;CCCC(CF)CNC;JHNOVGYXMNIGKE-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177770;MM177770;COCC(CF)CCF;MUJJPDOFGFOJIM-UHFFFAOYSA-N;138.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177771;MM177771;CCC(CNC)CNC;TUGBDGALOMKLTB-UHFFFAOYSA-N;130.24;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177772;MM177772;CNCC(CO)COC;ARBFSJJSQVUHCV-UHFFFAOYSA-N;133.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177773;MM177773;COCC(CN)COC;NITUPEOBTWTHFD-UHFFFAOYSA-N;133.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177774;MM177774;CCCC(CCN)NC;OYAKVMGQWHYKIU-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177775;MM177775;CCCC(CCO)NC;RHDZTCNPVBSKAK-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177776;MM177776;CCCC(CCF)NC;HEOZBUZNLSZVET-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177777;MM177777;CNC(CCN)CCF;LBQDXISYDLXOHO-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177778;MM177778;CCCC(CNC)NC;QRXLZLYTGQVBHS-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177779;MM177779;CNCC(CNC)NC;FPRUHQBUMSOBDC-UHFFFAOYSA-N;131.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177780;MM177780;CNCC(CCN)OC;RGUKVHQDVVBHKA-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177781;MM177781;CNCC(CCO)OC;VUEWEJAGRFVGIY-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177782;MM177782;COCC(COC)OC;CAYMIAFKNJGSOR-UHFFFAOYSA-N;134.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177783;MM177783;CCNC(CC)CCN;HTRMGCGAVDWITC-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177784;MM177784;CCNC(CC)CCF;JTIRCDANDYGVDA-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177785;MM177785;CCCC(CN)NCC;QMLVJGLMYYRDHN-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177786;MM177786;CCNC(CO)CCN;MJXNGOORENGZCY-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177787;MM177787;CCNC(CO)CCO;ZJKWWAMNVGMMHU-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177788;MM177788;CCNC(CO)CCF;FZXRAKULZXEEQD-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177789;MM177789;CCCC(CF)NCC;LZANOKLUWSEQLB-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177790;MM177790;CCNC(CF)CCO;KJLNVTNXIKDNAD-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177791;MM177791;CCNC(CF)CCF;BTBSJOCSMFXHTR-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177792;MM177792;CCNC(CC)CNC;HITZUNVTQLYXCR-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177793;MM177793;CCOC(CC)CCF;ILWIRVLPNLLCMY-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177794;MM177794;CCOC(CF)OCC;MTOKMFPJQWGFRU-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177795;MM177795;CCCN(CC)CCC;XWCCTMBMQUCLSI-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177796;MM177796;CCN(CCN)CCF;ANUGJRPKDOCORJ-UHFFFAOYSA-N;134.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177797;MM177797;C=CCC(CC)CCF;GQDOASTVWRPTJU-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177798;MM177798;CCC(CC=O)CCF;MVCGMMJLQUJUSG-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177799;MM177799;C=CCC(CN)CCF;UOCCGGYAAGPREM-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177800;MM177800;CCCC(CO)CC=O;BFPUERMNXWGDMO-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177801;MM177801;O=CCC(CO)CCO;JJGHBNMHOBENKV-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177802;MM177802;C=CCC(CO)CCF;YQCNRKZDTPOXGJ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177803;MM177803;CCCC(CF)CC=O;BMBIILJPOZKLGK-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177804;MM177804;C=CCC(CF)CCN;ZZPOTZIBRGGGHV-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177805;MM177805;C=CCC(CF)CCO;IISNKDVJJJKEKQ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177806;MM177806;N#CCC(CF)CCO;MYGPEHONBWDNQM-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177807;MM177807;C=CCC(CF)CCF;HECYRDTZRXFJPE-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177808;MM177808;N#CCC(CF)CCF;AUSPTLAMNGVNAK-UHFFFAOYSA-N;133.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177809;MM177809;CCC(CC=O)CNC;OXIBYNCDNGYVEL-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177810;MM177810;CNCC(CO)CC#N;JYBINFIRWHDRIT-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177811;MM177811;CCCC(CC=O)NC;MMPPWCQOHLFVCB-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177812;MM177812;C=CCC(CCN)NC;XTJRSNPFBVHSSJ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177813;MM177813;CNC(CC=O)CCO;DKOKVQOAEDGHAN-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177814;MM177814;C=CCC(CCF)NC;POJQAKIQBOZPPT-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177815;MM177815;C=CCC(CCO)OC;WIVYAZMXQVRNFK-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177816;MM177816;C=CCC(CCF)OC;FMFXLHVYMDQNLL-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177817;MM177817;COC(CC=O)CCF;ZHIFSQDLAVIIMT-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177818;MM177818;CCC(CCN)NC=N;HRLXUQYSEOWTJK-UHFFFAOYSA-N;129.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177819;MM177819;CCC(CCO)NC=N;XLJKPAZYGZBJQJ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177820;MM177820;CCC(CCF)NC=N;XMGNJXBAPDBBMX-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177821;MM177821;CCCC(CO)NC=N;JKGLEULMOKKOEM-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177822;MM177822;O=CNC(CO)CCO;AHCBQLCYDDEKLZ-UHFFFAOYSA-N;133.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177823;MM177823;N=CNC(CF)CCF;IDSSYRPCKMBJIH-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177824;MM177824;C=NNC(CC)CCC;ZTRWVNSDJLFCIA-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177825;MM177825;C=NNC(CC)CCF;ZUOYAQJNXBDBKZ-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177826;MM177826;C=NNC(CN)CCN;HNQTWUCHOMFZGB-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177827;MM177827;CCNc1cc(OC)[nH]n1;VBOZMXSPSPJBGI-UHFFFAOYSA-N;141.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177828;MM177828;C=NNC(CF)CCC;JUUKTBDBSFXYGY-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177829;MM177829;CNCC(CO)NC=N;LLENMPLDLSKYNE-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177830;MM177830;C=NNC(CF)CNC;XGJALWXMCJHJTC-UHFFFAOYSA-N;133.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177831;MM177831;CN=c1n(O)nc(C)n1N;BEACITINWHKVBU-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177832;MM177832;COCC(CO)NC=N;WJSQPJJGGUUUDR-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177833;MM177833;COCC(CO)NC=O;KPSLNIYPDUHIBZ-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177834;MM177834;C=NNC(CC)COC;CDEQDNIQGVPBCY-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177835;MM177835;C=NNC(CN)COC;YDCWFXDMAWZJCV-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177836;MM177836;C=NNC(CF)COC;PWTBOXKDYDVDBC-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177837;MM177837;C=COC(CN)CCC;ZUNRHSAVVKTOQT-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177838;MM177838;CCCC(CO)OC=O;KBLJPNFMZNHTTN-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177839;MM177839;C=COC(CO)CCN;RFXMCZQUKXRRSC-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177840;MM177840;C=COC(CF)CCF;XUMZITFRAAYLES-UHFFFAOYSA-N;136.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177841;MM177841;C=NOC(CN)CCF;WIAGDLXRJCIHOG-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177842;MM177842;COc1cc(=NN)on1O;VYNGGPWDIGRYPL-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177843;MM177843;C=NOC(CF)CCF;ZJZCXEKJEIPSLG-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177844;MM177844;C=NOC(CO)CNC;AYBSMLDPFZJLFV-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177845;MM177845;C=COC(CN)COC;IQVJBOLVMXXKFG-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177846;MM177846;COCC(CO)OC=O;HBSWQSJEOHRYLA-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177847;MM177847;C=COC(CF)COC;DXFRYUMEYPNYHA-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177848;MM177848;C=NOC(CC)COC;TWFNAERYCJUHQI-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177849;MM177849;C=COC(CCF)OC;ZVLLBZLFVNYTQQ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177850;MM177850;C=NOC(CCN)OC;VUYIDWFPDVHZKI-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177851;MM177851;C=NN1CC1C1(O)CC1O;WGJMPSVFEAYRKN-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177852;MM177852;CNCC(OC)OC=O;MDTMBEQWMOGMPY-UHFFFAOYSA-N;133.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177853;MM177853;C=CCC(CF)NCC;FDTMMAADTNFADJ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177854;MM177854;C=COC(CF)OCC;BRGFCVKQNAVUEY-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177855;MM177855;C=NOC(CF)OCC;KFGQBPAXAMPACM-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177856;MM177856;C=CCN(CC)CCN;LTLZPWSZBZAJGX-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177857;MM177857;C=CCN(CC)CCO;DBECYZYCYBOUFM-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177858;MM177858;C#CCC(CC)CCC;VYDJTGMMIABXLS-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177859;MM177859;C#CCC(CC)CCN;JKJIXYNWLXDQCW-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177860;MM177860;CCC1C(C)C1NNC=O;BHBHQNCMBSJNNQ-UHFFFAOYSA-N;142.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177861;MM177861;C#CCC(CC)CCF;FJDAPEYXNUYGIU-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177862;MM177862;C#CCC(CN)CCC;RUGSFYFQWJOEII-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177863;MM177863;C#CCC(CN)CCO;LGCCAWRDJYIBJN-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177864;MM177864;C#CCC(CN)CCF;NGAPHGAVBWPBLV-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177865;MM177865;C#CCC(CO)CCO;JDZAVMQVAXYRQU-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177866;MM177866;C#CCC(CF)CCN;KGFOFCZXKJTSGY-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177867;MM177867;C#CCC(CF)CCF;WBVYTWJGIHIRES-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177868;MM177868;C#CCC(CC)CNC;XCDGHANWJMHELH-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177869;MM177869;C#CCC(CO)COC;PQNBOXGETMPJFC-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177870;MM177870;C#CCC(CCN)NC;IKGUWXFLFRJCJQ-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177871;MM177871;C#CCC(CCO)OC;GUUPPXDDNGJIFS-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177872;MM177872;C#CCC(COC)OC;ZOYQOKMEHBKDPU-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177873;MM177873;C#CCC(CF)NCC;GBIRPMDNMSOTOR-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177874;MM177874;C#CCC(CC)OCC;RWQISXRLRILFPR-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177875;MM177875;C#CCC(CO)OCC;LNKZFWHVQCMMOO-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177876;MM177876;C#CCC(OC)OCC;LOLLWQLKRKGBIK-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177877;MM177877;C=CCC(CC)CC=O;FBCAZHRIJSMZAF-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177878;MM177878;C=CCC(CC)CC#N;UMHGZYSYZUFXDI-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177879;MM177879;CCC(CC#N)CC=O;LYSKYUIEYAKSQC-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177880;MM177880;C=CCC(CF)CC#N;DIMWQQWPRCNVDK-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177881;MM177881;O=CCC(CF)CC=O;DSBSYJKLHAXQJT-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177882;MM177882;N#CCC(CF)CC=O;UQDLMGVGNRQJCX-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177883;MM177883;C=CCC(CC=C)NC;VIMDGLJCOUKAKI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177884;MM177884;C=CCC(CC=O)NC;OVTKTXBVBOREKV-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177885;MM177885;CNC(CC=O)CC=O;QZAWTIBHPBCICA-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177886;MM177886;C=CCC(CC=O)OC;DQVKEEXVHVTXTA-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177887;MM177887;C=CCC(CC#N)OC;IPZFFEUFWIYLTB-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177888;MM177888;CCC(CC=O)N=CN;FZZZBDZJEHWHEP-UHFFFAOYSA-N;128.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177889;MM177889;C=CCC(CN)NC=O;SQTWJTHGMLKJED-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177890;MM177890;C=CCC(CC)NN=C;NIHOLUDNLHJZFI-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177891;MM177891;CCCNNC(C)=O;QTPYSUSNCDAWFH-UHFFFAOYSA-N;116.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177892;MM177892;CCCN(C)NC=O;PYGGMDLUMIIUMB-UHFFFAOYSA-N;116.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177893;MM177893;C=CCC(CF)OC=O;RCSMTUCUAMUPGX-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177894;MM177894;C=COC(CF)CC=O;SBOUZGIMSUBMMB-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177895;MM177895;C=NOC(CC)CC#N;JYCWKVWTQSJGJK-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177896;MM177896;CCCC(=O)NNC;BKOGRBDYNHJHQL-UHFFFAOYSA-N;116.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177897;MM177897;C=NOC(CC)ON=C;MXABHHYIYXXKLF-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177898;MM177898;C=CCN(CC)CC#N;POFIIINHJQWVGH-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177899;MM177899;CCN(CC#N)CC#N;ANACGMSLZOYRSF-UHFFFAOYSA-N;123.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177900;MM177900;N=Nc1cc(F)c[nH]1;JIAUSLUNXBUFNF-UHFFFAOYSA-N;113.1;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177901;MM177901;CCN(CC=O)NC=O;QCSGPCABCSQMRJ-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177902;MM177902;C#CCC(CC)CC=C;LMUMCKSGMMQGBB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177903;MM177903;C#CCC(CC)CC=O;WKKXSFZBSAQXJU-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177904;MM177904;C#CCC(CC)CC#N;XAACOCAFWAIDDI-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177905;MM177905;C#CCC(CN)CC=C;AWRSTPLZVPEJAE-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177906;MM177906;O=CC(O)CN1CC1;HGDXLQBAOIYZLC-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177907;MM177907;C#CCC(CO)CC=O;YCXJQSMXAARVAV-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177908;MM177908;C#CCC(CO)CC#N;JKHAKQZFJRPPGK-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177909;MM177909;C#CCC(CF)CC=C;UFQSVUYFULODQT-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177910;MM177910;C#CCC(CF)CC=O;DTOPURJZOXPQKB-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177911;MM177911;C#CCC(CC=C)NC;LCJYUSBLCSUUKF-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177912;MM177912;C#CCC(CC)NC=N;OHKSIDQRAYJPKA-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177913;MM177913;C#CCC(CO)NC=N;AZZUCEJZGVXKOH-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177914;MM177914;C#CCC(CO)NC=O;OWMSOCKYLATNFO-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177915;MM177915;C#CCC(CF)NC=N;KEBPCMCXAQJMGL-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177916;MM177916;C#CCC(CC)NN=C;BBTZUDPCNSJPJA-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177917;MM177917;C#CCC(CO)OC=C;FFGHJZILYIPKJU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177918;MM177918;C#CCC(CF)OC=O;AGJNHDDLYFEYMI-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177919;MM177919;C#CCC(OC)OC=C;KBQKMHAMUYENHO-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177920;MM177920;C#CCC(OC)OC=O;NLPBBWLWBKVAEA-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177921;MM177921;C#CCN(CC)NC=N;VVTPPUQMSWFTRC-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177922;MM177922;C#CCC(CC)CC#C;IPGWUUMPKDQXIJ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177923;MM177923;CCC(C)NC(=O)NN;QUJBLZVOBMZFOU-UHFFFAOYSA-N;131.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177924;MM177924;C#CCC(CF)CC#C;JBSMTZRDMYQTQU-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177925;MM177925;C#CCC(CC#C)OC;KMFPCPPFUPMFTG-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177926;MM177926;C=CC(CCC)CCC;QAEHGUGALZLTGP-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177927;MM177927;C=CC(CCC)CCN;JQVMURIWIIFPLS-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177928;MM177928;CNN=CC(O)C=NN;AXQPCPADEPADPJ-UHFFFAOYSA-N;130.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177929;MM177929;C=CC(CCC)CCF;NGTASHAWQTZIQC-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177930;MM177930;CN(N)C(=O)NC=CF;OYNJBWLVBDULDN-UHFFFAOYSA-N;133.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177931;MM177931;C=CC(CCF)CCF;GYOHZIVXWXMLST-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177932;MM177932;CCCC(C=O)CCC;BAUHZKXBGXCLBO-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177933;MM177933;CCCC(C=O)CCO;BWJLHBIPTOEHNH-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177934;MM177934;CCCC(C#N)CCO;IVOFWTAAPSPIJG-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177935;MM177935;CCCC(C=O)CCF;AHTHLOULWKOLAH-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177936;MM177936;CCCC(C#N)CCF;ZVYQWMCLPIWZDP-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177937;MM177937;O=CC(CCO)CCO;AARFPNIRADFHRI-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177938;MM177938;O=CC(CCF)CCF;GVNMRNWGGKTNHW-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177939;MM177939;C=CC(CCC)CNC;FPAOZDWLXCJURR-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177940;MM177940;CCCC(C=O)CNC;MHGLJJXVAQEGTJ-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177941;MM177941;CNCC(C=O)CCO;YARZXMKZLHBUPD-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177942;MM177942;C=CC(CCN)COC;ZEWRZCHVKVPVMD-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177943;MM177943;C=CC(CCO)COC;MZBVHHUITSPWCI-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177944;MM177944;C=CC(CCF)COC;RYQFEEDGQWHFRR-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177945;MM177945;CCCC(C=O)COC;GRCKSGNJXPCBID-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177946;MM177946;C=CC(CNC)CNC;FCCCCCXAPKYACX-UHFFFAOYSA-N;128.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177947;MM177947;CNCC(C=O)CNC;BZSMPCVHDQXDAA-UHFFFAOYSA-N;130.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177948;MM177948;C=CC(CCC)NCC;KEJUPVBLPUCZJF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177949;MM177949;C=CC(CCF)NCC;MLKUHTKBRAMYTC-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177950;MM177950;CCCC(C=O)NCC;IZSONPPVTSUZPE-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177951;MM177951;C=CC(CNC)NCC;ABDKMKWRCNWCFQ-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177952;MM177952;CCNC(C#N)COC;YMOKCCYUEGNGHG-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177953;MM177953;CCOC(C#N)OCC;UDELMRIGXNCYLU-UHFFFAOYSA-N;129.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177954;MM177954;CCCN(C=N)CCN;YMLBEVMVNGUDAT-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177955;MM177955;CCCN(C=N)CCO;DHAFUSRZXDCBSJ-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177956;MM177956;CCCN(C=N)CCF;MRFNHHLVQADQON-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177957;MM177957;CCCN(C=O)CCN;IFVZRMMJNVCHQX-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177958;MM177958;CCCN(C=O)CCO;JUEKJYUPQMGXLO-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177959;MM177959;CCCN(C=O)CCF;NWQQNIWVMZTMEG-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177960;MM177960;NCCN(C=O)CCO;WEZGDVCSABEHSC-UHFFFAOYSA-N;132.16;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177961;MM177961;O=CN(CCF)CCF;LNGBKOFKQLBEKG-UHFFFAOYSA-N;137.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177962;MM177962;CCNN(C=O)CCF;SISGZIMZMVNACD-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177963;MM177963;CCON(C=N)CCN;YJRHUSSZYOWWNO-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177964;MM177964;CCON(C=O)CCO;AXQHARHMKCPVRB-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177965;MM177965;C=CCC(C=C)CCC;QYPFPCMVWRQGSS-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177966;MM177966;C=CC(CC=O)CCC;VSRXTTWJGFEKNA-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177967;MM177967;C=CC(CC#N)CCC;YBMNERREMXHSRT-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177968;MM177968;C=CCC(C=C)CCN;OSYSAFPPGQSIFI-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177969;MM177969;C=CC(=C)CNNC=O;NHSGLBRYSKBYPZ-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177970;MM177970;CC1CN1CC(O)C=O;JZQBFOXHKQNOBE-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177971;MM177971;C=CCC(C=C)CCF;JTDRTKUKPHQIKW-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177972;MM177972;C=CC(CC=O)CCF;ZPVGGXJDPWDGHD-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177973;MM177973;C=CCC(C=O)CCC;KCZBNTGSHQURPY-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177974;MM177974;C=CCC(C#N)CCC;HGWMWMCLKLSUCV-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177975;MM177975;CCCC(C=O)CC=O;VDRNVSWMTGEXJL-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177976;MM177976;CCCC(C=O)CC#N;VRSPHNFAGSRNEM-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177977;MM177977;CCCC(C#N)CC=O;KXSWDHPOUVAQAK-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177978;MM177978;CCCC(C#N)CC#N;CTUPFRRQNZEITQ-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177979;MM177979;O=CCC(C=O)CCF;JJAGTLXUURTAMI-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177980;MM177980;C=CCC(C=C)CNC;YDZVPPPCFQRVHN-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177981;MM177981;C=CC(CC#N)CNC;XOKINWRJVLEUJF-UHFFFAOYSA-N;124.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177982;MM177982;C=CC(CCO)NC=O;OBDDJZRFLBDXSK-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177983;MM177983;N#CC(CCO)NC=N;RFGPKLSSJUIDSQ-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177984;MM177984;N#CC(CCO)NC=O;FEGDIXOFFNNDQN-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177985;MM177985;CNCC(C#N)NC=N;VAYKRFWWZZXJLC-UHFFFAOYSA-N;126.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177986;MM177986;COCC(C#N)NC=N;OYIXCXXAJWOPSU-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177987;MM177987;C=COC(C=C)CCC;OXCLAQOJCLURTM-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177988;MM177988;C=COC(C#N)CCC;QHNHGDWYFKFORL-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177989;MM177989;O=COC(C=O)CCF;YAHACBMKRSZBLA-UHFFFAOYSA-N;134.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177990;MM177990;C=CC(CCN)ON=C;SBSJGFRKUURLCZ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177991;MM177991;N#Cc1nc(N)c(N)[nH]1;WSGFYBDCYAXCON-UHFFFAOYSA-N;123.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177992;MM177992;CNCC(C=O)OC=O;CCYSDYXEEXOXBF-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177993;MM177993;C=COC(C=C)COC;NEMHVVSQRCWRTH-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177994;MM177994;C=CCC(C=C)NCC;VUZRHONCQMAWCC-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177995;MM177995;C=CC(CC=O)NCC;BXMSESJORJNURL-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177996;MM177996;C=CCC(C=O)NCC;ZRSABFFIGVGOCA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177997;MM177997;CCOC(C#N)CC=O;CFGJAAPIZAMJBK-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177998;MM177998;C=CCN(C=N)CCO;WQQLWQREOIAEST-UHFFFAOYSA-N;128.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM177999;MM177999;N=CN(CC=O)CCO;POQMXZHNELFEFR-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178000;MM178000;N#CCN(C=N)CCO;DSQKWSLMGSDKMQ-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178001;MM178001;C=CCN(C=O)CCC;QRKMZLYPKOIALN-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178002;MM178002;N#CCN(C=O)CCO;ILYHBYURJPEJKW-UHFFFAOYSA-N;128.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178003;MM178003;N#CCN(C=O)CCF;IVGPFKYGXVTFCC-UHFFFAOYSA-N;130.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178004;MM178004;C=CCN(CCC)N=C;YOAXECWLIQKKIW-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178005;MM178005;C=NN(CC#N)CCC;JPOVGLOZZJEWIW-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178006;MM178006;CC#Cc1nc(C)c[nH]1;CARCVKNTZBWXKZ-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178007;MM178007;NNC(=O)C=CC1CC1;CJBAQBLQLMAHHH-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178008;MM178008;O=CON(C=O)CCF;XNXFSKMQJKZUGM-UHFFFAOYSA-N;135.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178009;MM178009;CCON(C=N)CC#N;DAYZSDDEYQTIJO-UHFFFAOYSA-N;127.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178010;MM178010;CCON(C=O)CC=O;YKIJLVHCUGANKD-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178011;MM178011;C#CCC(C=C)CCC;ZTUOSEOYJYSILX-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178012;MM178012;C#CCC(C=C)CCN;UQEICLXZVMIILS-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178013;MM178013;C#CCC(C=C)CCF;HQAZGJKUYUKDJP-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178014;MM178014;C#CCC(C=O)CCC;BUSPJCVRVWNWFS-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178015;MM178015;C#CCC(C#N)CCC;JOWXGVNOIKHQRE-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178016;MM178016;C#CCC(C=O)CCF;JKQJLBMLQQMGKC-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178017;MM178017;C#CCC(C#N)COC;UUIWXBXXIDHSEL-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178018;MM178018;C#CCC(C=C)NCC;XOVBRGRKFAXXBB-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178019;MM178019;C#CCC(C#N)OCC;NIKAPKPOIIEBMT-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178020;MM178020;C#CCN(C=N)CCN;YGKRWHORTCEZLB-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178021;MM178021;C#CCN(C=O)CCC;VRBLJHASUSYKFV-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178022;MM178022;C#CCN(C=O)CCN;JSVQVFVAHHCUKJ-UHFFFAOYSA-N;126.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178023;MM178023;C#CCN(C=O)CCO;MRJLVFORHBINIF-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178024;MM178024;C#CCN(CCN)N=C;FQNCQJPKPMLBOY-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178025;MM178025;C#CC#Cc1c[nH]cn1;NPNMFAGHXXRQQD-UHFFFAOYSA-N;116.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178026;MM178026;C=CCC(C=C)CC=C;WPYLZEQENHIBQE-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178027;MM178027;C=CCC(C=C)CC=O;XFRSARWYZMURKY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178028;MM178028;C=CC(CC=O)CC=O;XRTQSWJVXZXVJC-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178029;MM178029;C=CC(CC#N)CC=O;VHXARMORTAGGTJ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178030;MM178030;C=CC(CC#N)CC#N;PJSUZCMLSUOSOH-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178031;MM178031;C=CCC(C=O)CC=C;CMNGLVWCRYGHCB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178032;MM178032;C=CCC(C#N)CC=C;AUODHSCXTKVOCF-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178033;MM178033;C=CCC(C#N)CC=O;OSHXWAOTJUBAEI-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178034;MM178034;C=CCC(C#N)CC#N;MIYCBXIHHSBMOT-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178035;MM178035;O=CCC(C=O)CC=O;MGMZJMPWJVWBCE-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178036;MM178036;N#CCC(C=O)CC=O;OFEFCZCFERGXIM-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178037;MM178037;N#CCC(C#N)CC=O;IZRROBYZAQUNSV-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178038;MM178038;N#CCC(C=O)NC=N;PNGQYUIDDASMAV-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178039;MM178039;N#CCC(C=O)NC=O;QGZJBTNNWNLMQA-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178040;MM178040;N#CC(CC=O)NC=O;UIJVMQLCFRPXRZ-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178041;MM178041;N#CCC(C#N)NC=O;OECSXQFHFIDZEL-UHFFFAOYSA-N;123.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178042;MM178042;C=CCC(C=C)OC=C;HYBZICOSRBZUTQ-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178043;MM178043;C=CC(CC#N)OC=O;YFVVYIYYUGIVKY-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178044;MM178044;CCN(N)C(=O)C(C)(C)O;VIOZEYSMZNWDAM-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178045;MM178045;C=COC(C=O)OC=C;UPSMIOVCGZAVAA-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178046;MM178046;C=COC(C#N)OC=C;JFBSXNFXERNEPC-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178047;MM178047;C=CCN(C=N)CC=C;DHVSEWFXZZFWIJ-UHFFFAOYSA-N;124.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178048;MM178048;C=CCN(C=N)CC=O;YNVLRVLICMLHNP-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178049;MM178049;C=CCN(CC#N)N=C;FHTBNFVGPHPHFM-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178050;MM178050;N#CCN(C=O)NC=O;ZQAVUVRWJFEDDP-UHFFFAOYSA-N;127.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178051;MM178051;N#CCN(C=N)OC=O;GMWJFYSFSVLPGT-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178052;MM178052;C#CCC(C=C)CC=O;VAKSPYZURCGUMI-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178053;MM178053;C#CCC(C=O)CC=C;LJTXKSGBWFRTDG-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178054;MM178054;C#CCC(C=O)NC=O;GUVJYYPELPNBQO-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178055;MM178055;CN(C)N=CC(O)C=NN;KBNJYDNBJAJUJG-UHFFFAOYSA-N;144.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178056;MM178056;CC(=N)N(N)C(=O)C(N)=O;RRYSDUILOUTINW-UHFFFAOYSA-N;144.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178057;MM178057;C#CCC(C#N)OC=O;WFDDLHBNVIYFLG-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178058;MM178058;CN(CC=O)CC(O)C=O;QWYNFMLKGGHOBZ-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178059;MM178059;N=c1nc(N)c(=N)n(O)o1;RKMXLOKEBKVMDA-UHFFFAOYSA-N;143.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178060;MM178060;C#CCN(C=N)CC=C;QIEHCHLLNNBXLF-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178061;MM178061;C#CCN(CC=C)N=C;YPERWHFUAYCEMY-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178062;MM178062;C#CCN(C=O)NC=N;CZCVABUDFLDRCU-UHFFFAOYSA-N;125.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178063;MM178063;C#CCN(C=O)NC=O;LTWLIGVRRAOSNE-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178064;MM178064;C#CCC(C=C)CC#C;ZBAVVCLJWAIGNB-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178065;MM178065;C#CCN(CC#C)N=C;GKGBDHGAHNUQGC-UHFFFAOYSA-N;120.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178066;MM178066;C#CC(CCC)CCC;OIEYWUGXWUYKJD-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178067;MM178067;C#CC(CCC)CCN;QPVPMZNASHKYRU-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178068;MM178068;N=c1c(F)cc(=O)on1O;YGDLVCSQLCWPKX-UHFFFAOYSA-N;146.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178069;MM178069;C#CC(CCN)CCF;NAUAHYLXCZMOMU-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178070;MM178070;C#CC(CCC)CNC;YYLDYNALOCGEES-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178071;MM178071;C#CC(CCC)NCC;ZJNWTDUBOQZBDT-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178072;MM178072;C#CC(CCF)NCC;CMROMFNXTWIMIK-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178073;MM178073;C#CC(CCC)OCC;NZWQTEVJOXJXHE-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178074;MM178074;C#CC(CCF)OCC;UMPQSZUYOZLSHQ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178075;MM178075;C#CC(CC=C)CCC;BHMWCZTYVANUBA-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178076;MM178076;C#CC(CC#N)CCC;WKZZYBGMNZQHNX-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178077;MM178077;CCN(N)C=NC(=O)CO;LDFRMWFGPOSGAQ-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178078;MM178078;NN(C=O)C=NC(=O)CO;ZDGMFXAXWXLQFE-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178079;MM178079;C#CC(CC#N)CCO;LQOHXEGKQVFKDM-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178080;MM178080;C#CC(CC=C)CCF;LWXZHTCJLMHAGU-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178081;MM178081;C#CC(CC=O)COC;ASYJRFSIHPZYNG-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178082;MM178082;C#CC(CC#N)COC;UXXJHRSCZAQOEK-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178083;MM178083;C#CC(CCC)NC=N;BOJOHITXKJIFSH-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178084;MM178084;C#CC(CCN)NC=O;AUGQZEKZUSNMCU-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178085;MM178085;C#CC(CCF)NC=N;ITXBBYJPDWMUQI-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178086;MM178086;C#CC(CCN)NN=C;XPDQNDADCAQAFS-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178087;MM178087;C#CC(CNC)NC=O;UVCSPUZBENMZHA-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178088;MM178088;C#CC(CNC)NN=C;QUYZYCZHSNHIFA-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178089;MM178089;C=CC(N)=C(C)C(=O)NN;DDXWBPLUVCHELS-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178090;MM178090;C#CC(CCC)OC=C;ZOJWNMZJPRZSMV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178091;MM178091;C#CC(CCN)OC=O;NOQUTQVYONVISZ-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178092;MM178092;C#CC(CCN)ON=C;QUPJONYZBUGZSM-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178093;MM178093;CNC(=O)C(=N)NNC=O;FSILCSNYTWUAHI-UHFFFAOYSA-N;144.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178094;MM178094;C#CC(OC=C)OCC;SQOZAAJJQPMZBW-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178095;MM178095;C#CC(OC=O)OCC;SJTBDLFMOWYABN-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178096;MM178096;C#CCC(C#C)CCC;JADCDPPKWCEWOS-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178097;MM178097;C#CCC(C#C)CCN;MMUUTOOGKOUXHU-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178098;MM178098;C#CCC(C#C)CNC;UHJWOQOQZWMQLF-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178099;MM178099;C#CC(CC=C)CC=C;TZLGMMHJJHYMKA-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178100;MM178100;C#CC(CC#N)CC=C;QJGTVPXXPKFBJO-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178101;MM178101;C#CC(CC#N)CC#N;OCUNNTBBCNAAAQ-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178102;MM178102;C#CC(CC=O)NC=O;KNTUJUTYSASDEI-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178103;MM178103;CON=CC(O)C(C)C#N;RKAUPPBNPSPQEB-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178104;MM178104;C#CC(CC=C)OC=C;OTTMTQARERIHLE-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178105;MM178105;C#CC(CC=O)OC=C;NWSLYEKRZAEURN-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178106;MM178106;C#CC(CC#N)OC=O;RTIAGPUODYHTBE-UHFFFAOYSA-N;123.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178107;MM178107;C=NNCC=CC(O)C=O;RWTSRGINJKVADC-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178108;MM178108;C#CC(OC=C)OC=C;CORIFQOYGFOUEU-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178109;MM178109;C#CCC(C#C)CC=C;PSMMVYMZEMQVKI-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178110;MM178110;C#CCC(C#C)CC=O;QJKOLJPVZUYCPM-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178111;MM178111;C#CCC(C#C)CC#N;CTKLWLNSJBKJLF-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178112;MM178112;C#CCC(C#C)NC=N;DBCZWUUGTDZUIZ-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178113;MM178113;C=CC(ON=C)C(O)CO;CQUXJFQSBIQDTQ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178114;MM178114;C#CCC(C#C)OC=C;VPGKFGSZLXHICF-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178115;MM178115;C#CCC(C#C)OC=O;URSVVBVQYYUFJB-UHFFFAOYSA-N;122.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178116;MM178116;N=c1n(O)ncc(=O)n1N;USSUODILCLMHHC-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178117;MM178117;C#CCC(C#C)CC#C;CZCXPOMRZQRDPA-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178118;MM178118;CCCC(C=CF)CC;NDPPALADMONMLW-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178119;MM178119;CC=CC(CC)CCN;VBWRAXNKBOYHQR-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178120;MM178120;CCC(C=CF)CCN;PDQSULHOZGFRNY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178121;MM178121;N=c1c(=N)n(O)ncn1O;SESOUOUCKHXDCY-UHFFFAOYSA-N;143.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178122;MM178122;CC=CC(CN)CCC;PIZBIIYDXISBOZ-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178123;MM178123;CCCC(C=CF)CN;NKYKAJISJPGJGW-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178124;MM178124;NCC(C=CF)CCO;PVERIXIVQIDTCH-UHFFFAOYSA-N;133.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178125;MM178125;CC=CC(CN)CCF;JNMWUGKVBYHEPR-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178126;MM178126;OCC(C=CF)CCF;IXKLGXFQVVKXQW-UHFFFAOYSA-N;136.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178127;MM178127;CC=CC(CF)CCN;AIIPUMISAPPYQI-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178128;MM178128;NCCC(C=CF)CF;RXGBBXJNSNSRTA-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178129;MM178129;CC=CC(CF)CCO;OBFKBGNYBGUSTG-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178130;MM178130;OCCC(C=CF)CF;YUDAPTYSUJORBR-UHFFFAOYSA-N;136.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178131;MM178131;CC=CC(CF)CCF;CSIPIBQZTFPOBH-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178132;MM178132;FC=CC(CF)CCF;CCBGOUDFFJVTDM-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178133;MM178133;CCCC(C=NO)CC;LWXUWPMBRCUVGQ-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178134;MM178134;Cn1c(C=O)nn(O)c1=N;CYPASECOLWJHCU-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178135;MM178135;CCC(C=NN)CCF;JMDPGJKJQYREIJ-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178136;MM178136;CCCC(C=NO)CN;WUDNEJHLWCGZKD-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178137;MM178137;NCC(C=NO)CCF;CQJYHZNPFXXHKC-UHFFFAOYSA-N;134.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178138;MM178138;CCCC(C=NN)CF;NYGIWRKLDYGUBX-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178139;MM178139;NN=CC(CF)CCF;CMQOBPWRZOSKSX-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178140;MM178140;ON=CC(CF)CCF;UHYAJKFCNSGVFQ-UHFFFAOYSA-N;137.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178141;MM178141;CCC(C=CF)CNC;QSAUCPURWSMCRU-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178142;MM178142;CC=CC(CF)CNC;VSVFZCKBXJTNGH-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178143;MM178143;CNCC(C=CF)CF;SELKZHWWZAYIOD-UHFFFAOYSA-N;135.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178144;MM178144;CNCC(C=NN)CF;WGRRIUWVSWQPTP-UHFFFAOYSA-N;133.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178145;MM178145;CC=CC(CN)COC;YJVIDMKYDLACCD-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178146;MM178146;CCc1nc(O)n(C)c1C;WUNMHGAHRYEKCJ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178147;MM178147;COCC(C=NO)CO;MEUZYKNCWRBUHO-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178148;MM178148;CC=CC(CCC)NC;NRTNSXOEJGAMFM-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178149;MM178149;CCCC(C=CF)NC;YMTFLGJNJLBLLT-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178150;MM178150;CC=CC(CCN)NC;HSQIFMAZTXVRNH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178151;MM178151;CNC(C=CF)CCN;BUHHRXSGDSFPDG-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178152;MM178152;CC=CC(CCO)NC;QGZUEUDLMPGRKR-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178153;MM178153;CC=CC(CCC)OC;SBDAZYVXZDFJTN-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178154;MM178154;CC=CC(CCF)OC;NYDPGFQAAPPLJE-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178155;MM178155;CCNC(C=CF)CC;BUNKIEKORPHCAX-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178156;MM178156;CC=CC(CN)NCC;UDQFSVHHOSPZKR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178157;MM178157;CC=CC(CO)NCC;GCVGSFWXATZVGO-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178158;MM178158;CCNC(C=NO)CC;FCBAZEUCYDUJNG-UHFFFAOYSA-N;130.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178159;MM178159;CNc1nc(O)n(N)c1N;MABOGLFCBBKMQI-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178160;MM178160;CCN(C=NC)CCN;LVRXFLAEAANKKG-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178161;MM178161;CCN(C=NC)CCO;VQGULOWUEJSGGB-UHFFFAOYSA-N;130.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178162;MM178162;CCN(C=NC)CCF;DZUPOXOZELTQBQ-UHFFFAOYSA-N;132.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178163;MM178163;CN=CN(CCF)NC;CJZSCAWBBDPYJY-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178164;MM178164;CON(C=NO)CCO;UFLOMHWHMUUFOJ-UHFFFAOYSA-N;134.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178165;MM178165;CC=NN(CC)CCC;BCVDDHWPHWMWQN-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178166;MM178166;C#CC12CC(O)C(=O)C1N2;KYDUFUDXJCUZLL-UHFFFAOYSA-N;137.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178167;MM178167;CC=NN(CC)CCF;GZFZUQGCUBMOQZ-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178168;MM178168;C=CCC(C=CC)CC;RQZQLVYTGKPVLP-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178169;MM178169;CC=CC(CC)CC=O;DFFWSUQBXMZVDF-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178170;MM178170;CCC(C=CF)CC#N;VHTHYMRXWRVMBQ-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178171;MM178171;C=CCC(C=CC)CN;BTRJTHRFDCJHFQ-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178172;MM178172;C=CCC(C=CF)CN;LINZLKDSWFHQAM-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178173;MM178173;CC=CC(CO)CC=O;LGIWEVJIKVPSLE-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178174;MM178174;C=CCC(C=CF)CF;QRZLBCAUFQHCSI-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178175;MM178175;O=CCC(C=CF)CF;HQOSLRUBGAQAAY-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178176;MM178176;C=CCC(C=NO)CC;JHDHGCPXYSINEZ-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178177;MM178177;CCC(C=NO)CC=O;IEYOSLKLOFXYFP-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178178;MM178178;C=CCC(C=NN)CF;ATGAJYDYZIBEOW-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178179;MM178179;C=CCC(C=NO)CF;AZGWAHWWNUUOHD-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178180;MM178180;C=CCC(C=CC)NC;CBAOZHCXDUZMEL-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178181;MM178181;C=CCC(C=CF)NC;DLTXZGVLJTYVOF-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178182;MM178182;CC=CC(CC)NC=N;VFIHRDMXVHOTHP-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178183;MM178183;CC=CC(CO)NC=N;NKUGGTUCQYLPHM-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178184;MM178184;N=CNC(C=CF)CF;NZJBYPGGFKMTAL-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178185;MM178185;CCC(C=NN)NC=N;VZTGJLWILXNKFC-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178186;MM178186;C=NNC(C=CC)CC;CAVFWKJMNPHALZ-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178187;MM178187;C=NNC(C=CC)CF;CXELZHSWVNQOMV-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178188;MM178188;C=NNC(C=CF)CF;RFNDEPZMEGHYTN-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178189;MM178189;C=COC(C=CC)CC;RMMSVJMKZLNJKA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178190;MM178190;CC=CC(CN)OC=O;SQLNSHKKJCTPPT-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178191;MM178191;C=COC(C=CC)CO;HSERJEBUPJJCQQ-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178192;MM178192;C=COC(C=CF)CO;MGJFFVJJMNNREB-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178193;MM178193;CC=CC(CO)OC=O;TYXOKVXHWGVVRV-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178194;MM178194;O=COC(C=CF)CO;XTSHIIHJMOVBEA-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178195;MM178195;O=COC(C=CF)CF;RKBLJTRPLLCCKH-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178196;MM178196;CC#CC#Cc1c[nH]cn1;CENYFXVJIACXMA-UHFFFAOYSA-N;130.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178197;MM178197;C=COC(C=CF)OC;GXXYSCAJOOVPMK-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178198;MM178198;C=CCN(C=NC)CC;NKNDYMOQGHMWAP-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178199;MM178199;C=CCN(CC)N=CC;QISKIJDAKRYUFF-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178200;MM178200;CCN(C=NC)NC=N;KFLJXAPUFSPZCB-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178201;MM178201;C#CCC(C=CC)CN;HJGMANVQUHYNMW-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178202;MM178202;C#CCC(C=CF)CN;CTEURWONDLEGOQ-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178203;MM178203;C#CCC(C=CF)CF;LWYOZTXTVGXFJS-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178204;MM178204;C#CCN(C=NC)CC;QWUIMJSPSHCWCB-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178205;MM178205;C#CCN(C=NC)OC;CBPMILKJVUUGBA-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178206;MM178206;C#CCN(CC)N=CC;LDDUZDQAIPOVEA-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178207;MM178207;C=CC(C=CC)CCC;LMHWSXSWPFYWEI-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178208;MM178208;C=CC(C=CF)CCC;INTSCUCXAPDDEE-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178209;MM178209;C=CC(C=CC)CCN;PUCKVLVWRGYPBH-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178210;MM178210;C=CC(C=CF)CCN;PAMUBFCPJGCNEH-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178211;MM178211;CC(N)=CC(=O)NN;XVCGMPGJAIJMOO-UHFFFAOYSA-N;115.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178212;MM178212;N=C(CF)NNC=O;WFGWDNGKLCSLNN-UHFFFAOYSA-N;119.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178213;MM178213;C=CC(C=CC)CCF;KGLUMKHAWSKTCI-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178214;MM178214;C=CC(C=CF)CCF;JCPNRUIWZIHPMP-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178215;MM178215;CC=CC(C=O)CCC;FKPZVHBPXRQJQZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178216;MM178216;CC=CC(C#N)CCC;YLGYSYWRYSAFRC-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178217;MM178217;CCCC(C=O)C=CF;WBFWCKMIHLGGRS-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178218;MM178218;CC=CC(C=O)CCF;CUZKIYBKISGVOQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178219;MM178219;O=CC(C=CF)CCF;PRSAWJWSTGUHCB-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178220;MM178220;C=CC(C=NN)CCC;FGKLKKANFIOMGV-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178221;MM178221;C=CC(C=NO)CCC;MVORGYJGNVZFHE-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178222;MM178222;C=CC(C=NO)CCN;HUKRYPLNVKRMID-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178223;MM178223;C=CC(C=NO)CCO;RDVFABAZXFWBSR-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178224;MM178224;C=CC(C=NN)CCF;AXMIKUKKGPDZKQ-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178225;MM178225;CCCC(C=O)C=NO;KJSOGKGZGBBHRT-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178226;MM178226;C=CC(C=CC)CNC;MJILDNSXSFXTKK-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178227;MM178227;CC=CC(C=O)CNC;QMGPLXPQHIEIOM-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178228;MM178228;CNCC(C=O)C=NO;RQXHKCSSISQZOE-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178229;MM178229;C=CC(C=CF)COC;ZQIZUERUOGPVJS-UHFFFAOYSA-N;130.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178230;MM178230;CC=CC(C=O)COC;PTDSWDOFEJWCLR-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178231;MM178231;C=CC(C=CC)NCC;CVTBRHSILQJHQS-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178232;MM178232;C=CC(C=CF)NCC;KFBBROCASMSGEL-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178233;MM178233;CCNC(C#N)C=CF;AOVRJPIPMQMWDK-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178234;MM178234;Nn1nnc(O)cc1=NO;MMGXKJXBQFCZQG-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178235;MM178235;CC=CN(C=N)CCC;JRLGBDPIEBQHFA-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178236;MM178236;CC=CN(C=O)CCC;OWYGDUCHTZBHOZ-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178237;MM178237;CC=CN(C=O)CCF;LPGCMPQDLDHTAC-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178238;MM178238;C=CN(C=NC)CCC;SCENKJBMHIUPFF-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178239;MM178239;C=CC(=C)CC(=O)NN;XRBLJAMTNPAKBB-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178240;MM178240;C=CN(C=NC)CCF;BFBPJYHPYLTVIG-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178241;MM178241;CCCN(C=N)C=NN;NKDHTTVGPIUIKK-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178242;MM178242;CN(C)C=NC(=O)CO;IQSMAUQYJKLMQL-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178243;MM178243;C=NN1CC(O)(CO)C1;ZLXUDUGZDHPOCZ-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178244;MM178244;C=NN(C=NC)CCF;FXAQSQIMSVOAEN-UHFFFAOYSA-N;131.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178245;MM178245;C=NOC(=O)NCCO;WYJHWAONYLSOKM-UHFFFAOYSA-N;132.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178246;MM178246;C=NN(C=NO)CCF;VOZBQTNBHJPDHD-UHFFFAOYSA-N;133.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178247;MM178247;N#CCNCC(O)C=O;XJTFFZVFXAKSQR-UHFFFAOYSA-N;128.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178248;MM178248;CC=NN(C=O)CCF;CJRVAIYATFDQLI-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178249;MM178249;C=CC=CCC(=O)NN;KVUUCQVEJYFACG-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178250;MM178250;C=CCC(C=C)C=CC;UTRGEGBYWRGRKZ-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178251;MM178251;C=CC(C=CC)CC=O;XTJPFTKDPRYJKI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178252;MM178252;C=CC(C=CF)CC=O;NYFIGSXKWCAFJJ-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178253;MM178253;C=CC(C=CF)CC#N;VWIJJSMANWHCSI-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178254;MM178254;C=CCC(C=O)C=CC;ZAGHQDAGZZAPML-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178255;MM178255;C=CCC(C=O)C=CF;PKAWBDGKBRVZIB-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178256;MM178256;CC=CC(C=O)CC=O;ORMGLDHONUNYMS-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178257;MM178257;CC=CC(C=O)CC#N;RAHDEDGTPPOTGB-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178258;MM178258;O=CCC(C=O)C=CF;YLLZZEDYZBEQSI-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178259;MM178259;N#CCC(C#N)C=CF;DUEDCFZSRFKQQA-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178260;MM178260;C=CCC(C=C)C=NN;MITWWECITYBSJX-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178261;MM178261;C=CCC(C=C)C=NO;AWJDRKGSDUHSRT-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178262;MM178262;C=CC(C=NO)CC=O;VGGYADPQVKCCJL-UHFFFAOYSA-N;127.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178263;MM178263;N=CNC(C=O)C=CF;JACDZYSQFIKKKG-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178264;MM178264;O=CNC(C=O)C=CF;DUPKOGGTOVYBNF-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178265;MM178265;Cc1nc(O)n(C)c1C;WDRMVOGAURDGDS-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178266;MM178266;C=CC(C=NO)NC=O;GIMJFBSPJASKSR-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178267;MM178267;N#CC(C=NO)N(O)C=O;QUMSEKMSCBSUEF-UHFFFAOYSA-N;143.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178268;MM178268;Nc1nc(O)n(N)c1N;HOKSLLSBGFUQJN-UHFFFAOYSA-N;129.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178269;MM178269;C=COC(C=C)C=CC;SDTNMSKUUVMYMP-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178270;MM178270;C=COC(C#N)C=CC;DREBKNRCAVNNAC-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178271;MM178271;N#CC(C=CF)OC=O;XODIXQIXMQMMPG-UHFFFAOYSA-N;129.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178272;MM178272;C=NOC(C#N)C=CC;QNRUSMPTOQHADD-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178273;MM178273;Cc1nc(=NN)on1O;OHQBJHDIPVSHDR-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178274;MM178274;C=CC(C=NN)ON=C;WLXAGZDVOBEFDY-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178275;MM178275;C=CCN(C=N)C=CC;LREZCGHXISXQIJ-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178276;MM178276;C=CCN(C=N)C=CF;ABUJYBBVGNNDAH-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178277;MM178277;CC=CN(C=O)CC=O;TVZQCOWGYPPMBF-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178278;MM178278;O=CCN(C=O)C=CF;QCEFOBVWOZWGPK-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178279;MM178279;C=CCN(C=C)C=NC;OUSPRQDGNZPNCH-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178280;MM178280;CCc1nc(=N)on1O;QXDQDZFPZOWLCR-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178281;MM178281;NN=C(CF)NNC=O;VHYIAJOLXNWKIH-UHFFFAOYSA-N;134.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178282;MM178282;N#CCN(C=O)C=NO;UMQGLJVSVRDOFC-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178283;MM178283;CN=C1COC(=NN)N1;VBOPXIDQDHKWSM-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178284;MM178284;CNc1cc(OC)[nH]n1;ODSOXNGGOLYETM-UHFFFAOYSA-N;127.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178285;MM178285;C=NN(C=NO)CC#N;LJFJVZMEGBDFNX-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178286;MM178286;C=CCN(C=N)N=CC;JJHWXAJBZYKUGE-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178287;MM178287;C=CN(C=NC)NC=N;OUDHKYSLMYTIOO-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178288;MM178288;C=CN(C=NC)NC=O;CLNWGHPOZSAXOT-UHFFFAOYSA-N;127.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178289;MM178289;N=CNN(C=N)C=NN;NOOQBOXOADJWPT-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178290;MM178290;N=CNN(C=N)C=NO;NNJYQPLXBMZVRL-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178291;MM178291;C=CN(C=NC)OC=O;ZLLAVKDJLWYBRA-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178292;MM178292;C#CCC(C=C)C=CC;ULXAPAIYBONYFE-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178293;MM178293;C#CCC(C=O)C=CC;RRUCPWIWVXPXBC-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178294;MM178294;C#CCC(C=O)C=CF;DIFDBIWEMIBYCM-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178295;MM178295;C#CCC(C=C)C=NN;ATEQPQHUKXQPKJ-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178296;MM178296;C#CCC(C=C)C=NO;QZCWEFITYCBDJP-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178297;MM178297;C#CCN(C=O)C=CF;AHSBZPBSTDDMTJ-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178298;MM178298;NNc1cc(CO)on1;NUXXGOPHRYVQHU-UHFFFAOYSA-N;129.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178299;MM178299;C#CCN(C=O)C=NO;PIOWSYFKZMPDLS-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178300;MM178300;C#CCN(C=N)N=CC;JKORGRFEKOPTBO-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178301;MM178301;C#CC(C=CC)CCC;ALABINLCBOVCAM-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178302;MM178302;C#CC(C=CF)CCC;FWMNLJXRDOIMLK-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178303;MM178303;C#CC(C=CC)CCN;KDEPIJPPHOYWNK-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178304;MM178304;C#CC(C=CF)CCN;FTYZZXVDAGWGIX-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178305;MM178305;O=C(CO)N=CN1CC1;ORNUSCCPPIWCEI-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178306;MM178306;CN(C=N)C(=O)C(C)(C)O;WMZHQJUNCSGYHF-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178307;MM178307;C#CC(C=CC)CCF;IHGBMHHNAMFBLV-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178308;MM178308;C#CC(C=CF)CCF;AXVIBYFNGKPIOE-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178309;MM178309;C#CC(C=NN)CCC;DHYNWSTUHYYGQK-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178310;MM178310;C#CC(C=NO)CCC;TXYNOPHDXNTFQA-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178311;MM178311;C#CC(C=NN)CCF;OJLATZNVSRFUIK-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178312;MM178312;C#CC(C=NO)CCF;SOUCSZPYAVKQIM-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178313;MM178313;C#CC(C=CC)CNC;NPPVBBRQOOQYKY-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178314;MM178314;C#CC(C=NO)COC;QDMIZIYTPIHUOT-UHFFFAOYSA-N;127.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178315;MM178315;C#CC(C=CC)NCC;XOPPMLJFESLLER-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178316;MM178316;C#CC(C=CC)OCC;HZPTYVMERCEZIN-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178317;MM178317;C#CC(C=CC)CC=C;PTSIZPIODLOVOT-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178318;MM178318;C#CC(C=CF)CC=C;IVUVHWJUCLNPGN-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178319;MM178319;C#CC(C=CC)CC=O;PWODCTJFCVJALO-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178320;MM178320;C#CC(C=CC)CC#N;MZSPMBRNHNKJLX-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178321;MM178321;C#CC(C=CF)CC#N;TUWRNOQACKRWIG-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178322;MM178322;C#CC(C=NN)CC=C;KNMWOPASOWWSOP-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178323;MM178323;C#CC(C=NO)CC=C;KZTDHRXUBQPIBM-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178324;MM178324;C#CC(C=NN)NC=N;RBELRYUJJJETFL-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178325;MM178325;C=CC(C)CC(=O)NNC;NAYWGDLDSAGUAJ-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178326;MM178326;C#CC(O)CN(O)C=NN;NJYDUFLTQANOLD-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178327;MM178327;C#CC(C=CC)OC=C;LGNZDSXQOUZOEO-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178328;MM178328;C#CCC(C#C)C=CC;ZTCCCIBZHGCJLI-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178329;MM178329;C#CCC(C#C)C=NN;UIECVLDVASWIOB-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178330;MM178330;CC#CC(CC)CCN;NXUKEOWVOKBEEU-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178331;MM178331;CC#CC(CC)CCF;IMJQCVQDCLWYMI-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178332;MM178332;CC#CC(CN)CCC;MQPGXWOHWWSSFZ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178333;MM178333;CC#CC(CN)CCO;USHIACZDPMAXNF-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178334;MM178334;CC#CC(CN)CCF;MPOVROMEWRJDSG-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178335;MM178335;CC=NN1CC(O)(CO)C1;KNMAGPOLBOZDCR-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178336;MM178336;CC#CC(CO)CCN;QRRDMXJNIANMKL-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178337;MM178337;CC#CC(CO)CCF;JAVAAGPRVLGHNY-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178338;MM178338;CC#CC(CF)CCN;CQFPVLPEWMHUCS-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178339;MM178339;CC#CC(CF)CCO;AQAHWTRNAZUZER-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178340;MM178340;CC#CC(CF)CCF;JYGPVEDKTQJMAV-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178341;MM178341;CC#CC(CC)CNC;OPVHQFJEEDYMEY-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178342;MM178342;CC#CC(CF)CNC;AUFDLERMLFQREG-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178343;MM178343;CC#CC(CC)COC;PETCHYJNMXSZTC-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178344;MM178344;CC#CC(CO)COC;BIPHHVDIOZZINO-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178345;MM178345;CC#CC(CCC)NC;AVGXQMDRYUGILJ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178346;MM178346;CC#CC(CCN)NC;BHSNTTUJGJBANZ-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178347;MM178347;CC#CC(CCF)NC;USIGEDQIXPRVOV-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178348;MM178348;CC#CC(COC)NC;SPWYHZWUXDILGJ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178349;MM178349;CC#CC(CCN)OC;JPHWLZFLKDQEGS-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178350;MM178350;CC#CC(CCO)OC;ONWYYBUJAOYYQG-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178351;MM178351;CC#CC(CNC)OC;CLRNKLXUTFXMBJ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178352;MM178352;CC#CC(COC)OC;DNCQHTZLWXSFHH-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178353;MM178353;CC#CC(CC)OCC;MRYKRNQIQCKQLK-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178354;MM178354;CC#CC(OC)OCC;CJRCGNFJQGIMAF-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178355;MM178355;C=CCC(C#CC)CC;BQDAXZHYSCRGLJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178356;MM178356;CC#CC(CC)CC=O;JDXGYOYBRIMFLE-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178357;MM178357;C=CCC(C#CC)NC;OOJDALXDVLAXIQ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178358;MM178358;CC#CC(CC#N)OC;TWRPVGUPIVNJMG-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178359;MM178359;CC#CC(CC)NC=N;OHEPFCXOTCUIRE-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178360;MM178360;CC#CC(CC)NC=O;QGDZFJNIXBPPCB-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178361;MM178361;CC#CC(CO)NC=N;YGHBMJUWSLVSFO-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178362;MM178362;CC#CC(CO)NC=O;WXXKIVKVOAGYBB-UHFFFAOYSA-N;127.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178363;MM178363;CC#CC(CF)NC=O;PMKQQGNSUIZWBI-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178364;MM178364;C=NNC(C#CC)CC;NCCKWIGBCGVZNU-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178365;MM178365;C=NNC(C#CC)CN;LOIBIWWANKPXGD-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178366;MM178366;CNNC(=NC(N)=O)OC;FRJCKDAHKITGMI-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178367;MM178367;CC=CCCN(C)NC=O;VXEWLKGMTWEAFO-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178368;MM178368;CC#CC(CN)OC=O;KSUHBHZNYXXABE-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178369;MM178369;C=COC(C#CC)CO;QSUAINNNOWASNX-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178370;MM178370;C=COC(C#CC)OC;XJTFMWFUEPLDLD-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178371;MM178371;CC#CC(OC)OC=O;IKIFKZBTKVVOAM-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178372;MM178372;C=NNC(=N)C(=O)C(F)F;JXPFPDFYAPCDDG-UHFFFAOYSA-N;149.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178373;MM178373;C=CC(C#CC)CCC;ZJIXYLIGLMKOQY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178374;MM178374;CC#CC(C=O)CCC;AZMCAJXGCJKVQM-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178375;MM178375;CC#CC(C=O)CCO;PDUBUXFDJNSKCD-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178376;MM178376;CC#CC(C=O)CCF;NEOJONMABCZQBF-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178377;MM178377;C=CC(C#CC)CNC;HUSGJJIYKXJAGO-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178378;MM178378;CC#CC(C=O)CNC;LPQGUJAJMGNHKL-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178379;MM178379;C=CC(C#CC)COC;LWVIAYVWZKLSJU-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178380;MM178380;CC#CC(C#N)COC;HRJOGIOOKVQXCT-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178381;MM178381;C=CC(C#CC)NCC;SMRIJAKXAYIJEL-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178382;MM178382;C=CC(C#CC)OCC;MOQOBHNZNJHRMS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178383;MM178383;CC#CC(C=O)OCC;JCURZKFWOSRRLC-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178384;MM178384;CC#CC(C#N)OCC;JPOOGMHZVVXCSV-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178385;MM178385;C=CCC(C#CC)C=C;RUTPZPWFPZKSJI-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178386;MM178386;C=CC(C#CC)CC=O;FVNDPZRBDOIGEC-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178387;MM178387;C=CC(C#CC)CC#N;QIIMQQZDYKEWJT-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178388;MM178388;C=CCC(C#CC)C=O;HCGFBHADLBZPFV-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178389;MM178389;C=CCC(C#N)C#CC;FWMCKLCUCFBAIJ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178390;MM178390;CC#CC(C=O)CC#N;DGPXGILNCHLIAF-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178391;MM178391;CC#CC(C#N)CC=O;BQARVJRRGIEEEH-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178392;MM178392;CC#CC(C#N)CC#N;HMASMFMTMRQVBH-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178393;MM178393;C=CC(C#CC)NC=N;XPJGBXVYPNVXGA-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178394;MM178394;C=CC(C#CC)NC=O;YFYXYFICUSXOKQ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178395;MM178395;CC#CC(C#N)NC=O;HAHCWHMGCBMDJS-UHFFFAOYSA-N;122.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178396;MM178396;CN=CN(N)C(=O)C(N)=O;FRGCHCQAVBDEAF-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178397;MM178397;C=COC(C#CC)C=C;QQCBIBKRZTVLSI-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178398;MM178398;COCC(C=NN)C(N)=O;MTCZEDYWGXPADN-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178399;MM178399;C#CCC(C#CC)C=C;PSPJCRWOJBSORA-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178400;MM178400;C#CCC(C#N)C#CC;GQRXRJQXTRGQGJ-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178401;MM178401;C#CC(C#CC)CCC;QFJFKRKMLCSVNF-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178402;MM178402;C#CC(C#CC)CCF;TZLJBUWAHHLUPL-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178403;MM178403;C#CC(C#CC)COC;CGAUACRLBFNZPX-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178404;MM178404;C#CC(C#CC)OCC;JDNZDFKPEDHWPA-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178405;MM178405;C#CC(C#CC)CC#N;ZDTJEWRLTDTJHO-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178406;MM178406;C#CC(C#CC)NC=O;KZFONNQWULHXHW-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178407;MM178407;C#CC(C#CC)OC=C;QEDBEUAFCGZVMF-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178408;MM178408;C#CC(C#CC)OC=O;ITIBBWZDQRCTBG-UHFFFAOYSA-N;122.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178409;MM178409;C#CC(C#CC)ON=C;XLMFHHUJZUVPHG-UHFFFAOYSA-N;121.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178410;MM178410;CC=CC(C=CC)CC;JSVBQQBKBZGWDM-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178411;MM178411;CC=CC(C=CC)CN;FAEGDQYHBMXPER-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178412;MM178412;CC=CC(C=CF)CN;TXBUJNQKPMNTAP-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178413;MM178413;CC=CC(C=CF)CF;ABWXIWMRLHAMEI-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178414;MM178414;FC=CC(C=CF)CF;WNBLYOAXRGWVAM-UHFFFAOYSA-N;136.12;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178415;MM178415;CC=CC(C=NN)CC;SABNFFXFYGZBMO-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178416;MM178416;CC=CC(C=NO)CC;SQTIQUCZEIXBIN-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178417;MM178417;CC=CC(C=NO)CN;MADLUWAJJILIKL-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178418;MM178418;CC=CC(C=NO)CO;PWKSAHMWSFUWHY-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178419;MM178419;NN=CC(C=CF)CF;UALDRHRYBVHKIK-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178420;MM178420;CCC(C=NN)C=NO;SHMFLHLETGWPPG-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178421;MM178421;NN=CC(C=NO)CO;ULOXTPIOFFBRBT-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178422;MM178422;OCC(C=NO)C=NO;XAGYVXSLXVPFJL-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178423;MM178423;CC=CC(C=CC)NC;ODWJULYELPZSLP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178424;MM178424;CC=CC(C=CF)NC;IQCSPULZELBWIP-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178425;MM178425;CC=CN(C=NC)NC;NDLCSHILTLBFOE-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178426;MM178426;C=NN=c1nc(C)n(O)o1;AMVUURUCRFTYBM-UHFFFAOYSA-N;142.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178427;MM178427;N=c1c(=O)oc(N)nn1O;UIKVMMMVSOZITL-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178428;MM178428;CC=CN(C=NO)OC;LSZYDRFQFUFFJO-UHFFFAOYSA-N;130.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178429;MM178429;CN=CN(C=CF)OC;HKJKKOFECCPUEH-UHFFFAOYSA-N;132.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178430;MM178430;Cc1nc(=N)c(=O)on1O;FMIDMVNKHGKIED-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178431;MM178431;CON(C=CF)C=NO;UNBOWZNZOKWGAL-UHFFFAOYSA-N;134.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178432;MM178432;CC=NN(C=NC)CC;ZRCYXRWVKXKAGI-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178433;MM178433;C=CC(C=CC)C=CC;SYDBIHBHFCWIEU-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178434;MM178434;C=CC(C=CF)C=CF;LSQBYYIFRXDWMB-UHFFFAOYSA-N;130.14;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178435;MM178435;CC=CC(C=O)C=CC;OGGAPPKSELIUGH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178436;MM178436;CC=CC(C=O)C=CF;LGFRTGHMFFXHLG-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178437;MM178437;O=CC(C=CF)C=CF;ZGEVYZKPTILUPS-UHFFFAOYSA-N;132.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178438;MM178438;C=CC(C=CC)C=NN;UASGUJDPSZLUHL-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178439;MM178439;C=CC(C=CC)C=NO;HUAOKYZTXGHUAB-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178440;MM178440;C=CC(C=CF)C=NN;RXWFOSHOKJJZKM-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178441;MM178441;CC=CC(C=O)C=NO;GENJZVCZMQYOAG-UHFFFAOYSA-N;127.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178442;MM178442;CC=CN(C=O)C=CC;UNDCKWXGUADWIG-UHFFFAOYSA-N;125.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178443;MM178443;CCN(C)C=NC(=O)CO;STIWQUQLCCFEJI-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178444;MM178444;C=C(C(=O)NN)C1(C)CC1;DILQKBUYWNDSTG-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178445;MM178445;CC(O)(C=NN1CC1)CO;UBSSODVUZSVDBH-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178446;MM178446;N=CN(C=NO)C=NO;JVHVZEOFDAKVCN-UHFFFAOYSA-N;130.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178447;MM178447;C=NN(C=CC)C=NC;SGAVRDDICWYQHB-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178448;MM178448;CNN(C)C(=O)C(F)CO;SDHFAIIWGOAYNX-UHFFFAOYSA-N;150.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178449;MM178449;C=NN(C=CC)C=NO;WXYJMCNBYOGSPJ-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178450;MM178450;C=NN(C=CF)C=NC;REQCJBBZAIOSCR-UHFFFAOYSA-N;129.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178451;MM178451;CC=NN(C=N)C=CF;WAPVSUYOKPEXQO-UHFFFAOYSA-N;129.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178452;MM178452;C=CC(O)C(=N)N(O)C=N;QGSOWFQQGNZBKY-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178453;MM178453;C=CN(C=NO)N=CC;HCDYFKXJEJGZQR-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178454;MM178454;CC=NN(C=N)C=NC;GSOHTJJMNRLTFZ-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178455;MM178455;C=CC=CC(=O)NNCC;KNSIPMMZKPSPOW-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178456;MM178456;C#CC(C=CC)C=CF;DVKMZTIKJOBMNN-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178457;MM178457;C#CC(C=CC)C=NN;OXZYUTWRHNHCFV-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178458;MM178458;C#CC(C=CC)C=NO;JFTOIVOWXMRXPK-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178459;MM178459;C#CC(C=CF)C=NN;HDAVLCQJGITLJI-UHFFFAOYSA-N;126.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178460;MM178460;CC#CC(C=CC)CC;HGUOBSLXUSGHPF-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178461;MM178461;CC#CC(C=CC)CN;ZIMAMCDIJPKTTJ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178462;MM178462;CC#CC(C=CF)CN;SNNOVVQHVPHBPJ-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178463;MM178463;CC#CC(C=CF)CO;KNZDHHYBNOJPCE-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178464;MM178464;CC#CC(C=CF)CF;HPXBQEVEPOJJIR-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178465;MM178465;CC#CC(C=NN)CC;FAZKBIJMYBSLGP-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178466;MM178466;CC#CC(C=NO)CC;KBXJIPQTUGIGRC-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178467;MM178467;CC#CC(C=NN)CF;UVWNDWXYBRCMQC-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178468;MM178468;CC#CC(C=CC)NC;RIURTZHDRYWPTB-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178469;MM178469;CC#CC(C=NN)OC;JDWIVVYBVYLFIW-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178470;MM178470;CC#CC(C#N)C=CC;VYVIDISXXFCFJH-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178471;MM178471;CC#CC(C=O)C=CF;VFDYOYABQQSAES-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178472;MM178472;CC#CC(C#N)C=CF;GOIAFWGBUHZSBI-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178473;MM178473;C=CC(C#CC)C=NN;UHXAAYRUFBOTGB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178474;MM178474;C=CC(C#CC)C=NO;RQJMPCXJMZPXDK-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178475;MM178475;C#CC(C#CC)C=CC;SUFLPXWZALNFTK-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178476;MM178476;C#CC(C#CC)C=NN;TXTZDLLVEXUYMO-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178477;MM178477;CC#CC(C#CC)CC;KRKHVZJPWJGTTG-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178478;MM178478;CC#CC(C#CC)C=O;VCUHNZZEWTZUKI-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178479;MM178479;CC=C(CCC)CCC;XSTRMLBPCRZKMJ-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178480;MM178480;CC=C(CCC)CCN;KTPOOIGFEPMOBS-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178481;MM178481;CC=C(CCN)CCF;IQLYXQUZSDLJDE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178482;MM178482;CCCC(=CF)CCC;AQLBTVSNCVTICU-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178483;MM178483;CCCC(=CF)CCN;PKCQBHOKYPGODB-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178484;MM178484;CC=C(CCC)CNC;CNDJGNDVBASGHI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178485;MM178485;CC=C(CCF)CNC;VXPFVOSZJNQVFH-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178486;MM178486;CCCC(=CF)CNC;SXRNJIPQVYMYFM-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178487;MM178487;CC=C(CNC)COC;NWQCUQSZZRLGPG-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178488;MM178488;CCCC(CCC)=NO;VLVVDHDKRHWUSQ-UHFFFAOYSA-N;129.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178489;MM178489;CCCC(CCF)=NO;CWXJTKBDTNJGAY-UHFFFAOYSA-N;133.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178490;MM178490;NCCC(CCF)=NO;DTDARPKXPGBXFC-UHFFFAOYSA-N;134.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178491;MM178491;ON=C(CCF)CCF;LOWXZWREPGYSJJ-UHFFFAOYSA-N;137.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178492;MM178492;CCN=C(CCO)NN;CALOAXUYGQJNJK-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178493;MM178493;CCN=C(CCF)NN;GNDLXWGDCWJZKQ-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178494;MM178494;CNN=C(CCN)NC;AWRHIADJRKCDIE-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178495;MM178495;CNN=C(CCO)NC;LWSZZOOUYRVVSV-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178496;MM178496;CNN=C(CCF)NC;ROFNWXOIOGZQND-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178497;MM178497;OCC=NOCC(O)CF;BZCNYVUKRMQVPK-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178498;MM178498;CNC(CCN)=NOC;FLYHWCSDPVVWNZ-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178499;MM178499;C=CC(O)C(=NOC)NO;AYICEJWZLUUPNI-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178500;MM178500;CON=C(CO)NNC=O;WTQNTKJZNXMXGH-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178501;MM178501;N=c1n(N)oc(=NN)n1O;PBCZPKLSVVGPGZ-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178502;MM178502;N=c1on(N)c(=NN)n1O;GYYFIKGSXYEXBS-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178503;MM178503;CCN=C(CNC)NC;BYOIAPHOEPKPBN-UHFFFAOYSA-N;129.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178504;MM178504;CNCC(=NNC)NC;ADPOLTICPZUKRK-UHFFFAOYSA-N;130.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178505;MM178505;CCN=C(COC)NC;CZBFKSVFKPFYRN-UHFFFAOYSA-N;130.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178506;MM178506;CNN=C(COC)NC;LEGOSKABSBYZGT-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178507;MM178507;CCOC(=CF)CCO;ZKBQJUWNZJJDNK-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178508;MM178508;NN=c1n(N)cc(F)n1O;AMAXPMSBWIPHTC-UHFFFAOYSA-N;147.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178509;MM178509;CCOC(CCN)=NO;LCHBOLMBIDMHKI-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178510;MM178510;CCOC(CCO)=NO;VHBQBTZHGYALNY-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178511;MM178511;CCNC(=NC)NNC;BMHQQENGUCATDZ-UHFFFAOYSA-N;130.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178512;MM178512;CCNC(=NN)NOC;PICFCZBSJNICSF-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178513;MM178513;CCc1nc(=NC)on1O;RDPCUKDLXULEBG-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178514;MM178514;CCc1nc(=NN)on1O;XTYXSCHROXQOCV-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178515;MM178515;CCOC(=NC)NOC;NFPWDPJWZODCNK-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178516;MM178516;CCOC(=NO)NOC;XZRWNFWSJUYNKA-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178517;MM178517;C=CCC(=CC)CCC;WUJUOKRPDGZAFE-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178518;MM178518;CC=C(CC=O)CCC;BWLJYIPLOAZXAJ-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178519;MM178519;CC=C(CC#N)CCC;RJUAMEITMIAIJE-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178520;MM178520;C=CCC(=CC)CCN;SXWQNDJLPUPLBY-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178521;MM178521;C=CCC(=CC)CCF;ZYPPWDVUZFZBAV-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178522;MM178522;CC=C(CC=O)CCF;JHSMJGPJECACAW-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178523;MM178523;CC=C(CC#N)CCF;VFWIRLPYVZTVIA-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178524;MM178524;CCCC(=CF)CC=O;GGWZLOMOPXBXMK-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178525;MM178525;C=CCC(=CF)CCO;TWQUQIDZRIOBTE-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178526;MM178526;C=CCC(=CF)CCF;JQESEAIARKSBHO-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178527;MM178527;O=CCC(=CF)CCF;HOCWBEHNNQZVFT-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178528;MM178528;C=CCC(=CC)CNC;XAEAOBGCGZJEGX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178529;MM178529;CC=C(CC=O)CNC;IAMQOOQXPNJHKX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178530;MM178530;C=CCC(=CF)CNC;KUSXFYWSLYUPJA-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178531;MM178531;C=CCC(CCC)=NN;ZVVLRMYPQWYTQX-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178532;MM178532;C=CCC(CCF)=NN;PSCQBWTURKWQHV-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178533;MM178533;C=CCC(CCC)=NO;ZYNKATFXXYAMHC-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178534;MM178534;C=CCC(CCN)=NO;YOMFMMOINGADJJ-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178535;MM178535;O=CCC(CCO)=NO;LUTMFQAKIVQXDZ-UHFFFAOYSA-N;131.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178536;MM178536;C=CCC(CCF)=NO;NGJSKDBYFKVHAZ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178537;MM178537;O=CCC(CCF)=NO;ZENOTUFSKQAGJJ-UHFFFAOYSA-N;133.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178538;MM178538;CC=C(CCN)NC=O;BPJSIALHULTTDI-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178539;MM178539;CC=C(CCF)NC=N;BKSOPJZALYWYOP-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178540;MM178540;CC=C(CCF)NC=O;RJRVRZAYJGPRTL-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178541;MM178541;CCCC(=CF)NC=N;YDBBIIGXUXVEOM-UHFFFAOYSA-N;130.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178542;MM178542;CC=C(COC)NC=N;ILVDFMBAPXOBLM-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178543;MM178543;CC=C(COC)NC=O;PHACMCZZTJABQL-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178544;MM178544;COCC(=CF)NC=N;JBDXHSRVJIIQQT-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178545;MM178545;C=CNC(CCO)=NC;ASPQBFYAWXEPFX-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178546;MM178546;CCCC(=NN)NC=O;FZPGZNRONBZMEZ-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178547;MM178547;C=CNC(CCO)=NN;SCBOKTYJAKKFRI-UHFFFAOYSA-N;129.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178548;MM178548;N=CNC(CCO)=NN;BWZOQYGCRHSHBH-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178549;MM178549;C=CN=C(CCO)NO;HZHPJLOZCUQDQX-UHFFFAOYSA-N;130.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178550;MM178550;N=Cn1nnc(=NN)n1O;RYQYMIUAAMXKKR-UHFFFAOYSA-N;143.11;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178551;MM178551;C=NNC(CCF)=NO;XOCBBPAWMZPETP-UHFFFAOYSA-N;133.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178552;MM178552;CN=C(COC)NC=O;LLAPECAUAJJVMH-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178553;MM178553;COCC(=NN)NC=O;KNSFSXWKBSZJRV-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178554;MM178554;C=CNC(COC)=NO;AVWQNWIKLCJIMK-UHFFFAOYSA-N;130.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178555;MM178555;C=COC(=CC)CCC;MXXVZUBDXMPCTG-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178556;MM178556;CC=C(CCF)OC=O;POZLYWWXCNMBBB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178557;MM178557;O=COC(=CF)CCF;OWOSCLHHQLKJRY-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178558;MM178558;C=COC(=CF)COC;XXEINMNNENUHDG-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178559;MM178559;Cc1nc(=N)on1O;BCDHLRXMMPSOCP-UHFFFAOYSA-N;115.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178560;MM178560;Cc1noc(O)c1N;FDXCQCJGNYSEBT-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178561;MM178561;NN=c1cc(O)nnn1O;WMEBIAZVPBZYMY-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178562;MM178562;CCN=C(CC=O)NC;RLMNTMKQZVXWTN-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178563;MM178563;CCN=C(CC#N)NC;YGMAYUDHGNTVHJ-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178564;MM178564;CNN=C(CC=O)NC;NVOGCRRVGGXCDU-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178565;MM178565;CNC=CC(=O)NN;IZJGPANXKCSTIP-UHFFFAOYSA-N;115.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178566;MM178566;C=CCC(=NOC)NN;KVFINHKLGCIFNU-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178567;MM178567;Cc1cnc(O)n1C;XPCSTLGFZSTVNZ-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178568;MM178568;C=CNC(=NC)NCC;GMKIWEHMZVBZSH-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178569;MM178569;CCNC(=NC)NC=N;WBUGEWXIZMGIKI-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178570;MM178570;CCNC(=NC)NC=O;GECHEUOVCCWIRP-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178571;MM178571;CCNC(=NN)NC=N;ACGSFNBXPDQGMI-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178572;MM178572;CCNC(=NO)NC=N;DFIPNHPIYBBQMA-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178573;MM178573;C=CNC(=NN)NNC;FLSWAKVLKVYGGN-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178574;MM178574;CNNC(=NN)NC=N;ZCUIBOSXMLAHBD-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178575;MM178575;CNNC(=NO)NC=N;YUUGSHJCGANZBA-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178576;MM178576;C=CC(C)(C)NNC=O;KMNIWLWKGSCBGE-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178577;MM178577;CCC(C)NNC(C)=O;XQSCKLNYYNTNPQ-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178578;MM178578;CONC(=NO)NC=O;GXXXAVVKVSDQFI-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178579;MM178579;C=NOC(=NC)NCC;KHVLZYHDXHODFU-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178580;MM178580;C=CC(=O)NNC(C)C;ATKABTMGPFXOON-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178581;MM178581;CN=c1nc(C)n(O)o1;DBWYBNOBLCSKCA-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178582;MM178582;CC=C(CC#N)OCC;KIOOAWXBMVDRAH-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178583;MM178583;CC=C(NC=N)OCC;UUALBSJJUBYLGM-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178584;MM178584;CC=C(NC=O)OCC;DLYCCGNALBJRET-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178585;MM178585;CCOC(=CF)NC=O;SVAFUARTYRSBBE-UHFFFAOYSA-N;133.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178586;MM178586;CCOC(=NC)NC=O;FJUPSJAEMZNTOT-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178587;MM178587;CCOC(=NN)NC=O;HLUYJOWFQZEHMI-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178588;MM178588;C=CNC(=NO)OCC;ZBARTRRWDKQZLU-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178589;MM178589;N=c1ncc(=N)n(O)o1;GVBBCIKRLIJUPE-UHFFFAOYSA-N;128.09;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178590;MM178590;CC1(O)C(O)C1N1CC1;KIHYDZZTOZLNLB-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178591;MM178591;C=NOC(=NO)OCC;OCBLUYFTKIUBIV-UHFFFAOYSA-N;132.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178592;MM178592;C#CCC(=CC)CCC;STCVIKCIRGMCNS-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178593;MM178593;C#CCC(=CC)CCN;FDZPVMLALIQSJJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178594;MM178594;NN=c1onc(N)n1O;RQQHVQKZPQHLSE-UHFFFAOYSA-N;131.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178595;MM178595;C#CCC(=CC)CCF;GPLBQMCJXDFBPJ-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178596;MM178596;C#CCC(=CF)CCN;DUFITGBZKCSEBM-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178597;MM178597;C#CCC(=CF)CCF;OMQUKWHMPDGZKH-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178598;MM178598;C#CCC(=CC)CNC;KNTBAYWKVHASTL-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178599;MM178599;C#CCC(=CF)CNC;XCSBBPNYKQHLKI-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178600;MM178600;C#CCC(CCC)=NN;JXOILZWHCPOMGB-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178601;MM178601;C#CCC(CCF)=NN;OSXBOPZYFCFBFU-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178602;MM178602;C#CCC(CCC)=NO;RPBWWJMDHMQKQI-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178603;MM178603;C#Cc1cc(CC)n[nH]1;USPCZNQHPWKTFW-UHFFFAOYSA-N;120.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178604;MM178604;CCC(C)(C)NNC(C)=O;USPWNZGBZLPEIS-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178605;MM178605;C=CCC(=CC)CC=O;XVJMIBWTCALDQO-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178606;MM178606;C=CCC(=CC)CC#N;DFIWFKQILZURID-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178607;MM178607;CC=C(CC=O)CC=O;ZDVYSXILTMHJEV-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178608;MM178608;C=CCC(=CF)CC=C;VCDYFXNDTUEOED-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178609;MM178609;C=CCC(=CF)CC=O;IOXJLTDEWDONJT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178610;MM178610;C=CCC(=CF)CC#N;SBELCLVVZDIVRV-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178611;MM178611;O=CCC(=CF)CC=O;WOBSWOYBHMVHBB-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178612;MM178612;N#CCC(=CF)CC=O;FYVNUVUITRDBOT-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178613;MM178613;C=CCC(CC=C)=NN;NYMSWNWGRHSJAT-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178614;MM178614;C=CCC(CC=C)=NO;ZVIVGKSMUWOATF-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178615;MM178615;C=CCC(CC=O)=NO;ROUSNUDOJLAYFR-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178616;MM178616;Cn1[nH]c(=NO)oc1=NO;RCTIGMUIWNDHGZ-UHFFFAOYSA-N;146.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178617;MM178617;C=CCC(=CC)NC=N;OPEORVQDWQVYPP-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178618;MM178618;N=CNC(=CF)CC=O;POFGGLADRZSFIJ-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178619;MM178619;N#CCC(=CF)NC=O;CCSWFCDCHANOLF-UHFFFAOYSA-N;128.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178620;MM178620;CN=C(CC=O)NC=O;IOEINJACZXOXNA-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178621;MM178621;C=CCC(=NN)NC=N;TVTSUGNQJBTMLS-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178622;MM178622;C=CNC(CC#N)=NO;GTXYSZCKPCFBFM-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178623;MM178623;C=COCC(C)(O)C=NN;LFEOCXHSRCXXJW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178624;MM178624;C=NNC(CC=O)=NO;MWKGFPVXINEVIY-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178625;MM178625;C=COC(=CC)CC#N;REEMYLKLCVZQBN-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178626;MM178626;CC=C(CC=O)OC=O;QYOGVYOCJAMBOW-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178627;MM178627;C=COC(=CF)CC#N;YRQXSUPRDVRVEG-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178628;MM178628;CC=C(NC=N)NC=O;TYIYCYHPABLQTR-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178629;MM178629;N=CNC(=CF)NC=N;CEOAYVANVVZOLE-UHFFFAOYSA-N;130.13;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178630;MM178630;N=CNC(=CF)NC=O;IPLXAMDJQZJXKD-UHFFFAOYSA-N;131.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178631;MM178631;C=CNC(=NC)NC=C;GOQRZNOISRQIQU-UHFFFAOYSA-N;125.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178632;MM178632;CN=C(NC=N)NC=O;AMZWLXUFBLTPCB-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178633;MM178633;N=CNC(=NN)NC=O;CFMFNPBTFRTHPA-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178634;MM178634;CC(O)(C=NN)COC=O;SKGAQAOVDVOECM-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178635;MM178635;O=CNC(=NO)NC=O;ILNCBDMXEAUDFL-UHFFFAOYSA-N;131.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178636;MM178636;C=C(C)CCNNC(C)=O;GPGVIZLTPGHNEB-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178637;MM178637;C=NNC(=NO)NC=O;MHVBXPQRBKKCQD-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178638;MM178638;C=COC(=CC)NC=N;CQTZHWGHYHLQHK-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178639;MM178639;C=COC(=CC)NC=O;DEPGEDOQIOSPMH-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178640;MM178640;NN=C(NC=O)OC=O;TZJYCTNEFWJKIZ-UHFFFAOYSA-N;131.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178641;MM178641;CCC(C)(C)N(C)NC=O;QWTOYQVBDZPPGO-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178642;MM178642;O=CNC(=NO)OC=O;HGAWRPVECHNXCS-UHFFFAOYSA-N;132.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178643;MM178643;C=NOC(=NN)NC=O;RAIYKFWHERJDEJ-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178644;MM178644;C=CNC(=NO)ON=C;VTSIGIGQQCPYFZ-UHFFFAOYSA-N;129.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178645;MM178645;C=NOC(=NO)NC=O;ZRVMBRONBUXWIQ-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178646;MM178646;C#CCC(=CC)CC=C;DIOMJRPLKHPSDJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178647;MM178647;C#CCC(=CC)CC=O;DWQJXKWSLYHXTM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178648;MM178648;C#CCC(=CC)CC#N;OJXWDWUGGWQTJQ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178649;MM178649;C#CCC(=CF)CC=C;YMZNWRBRDKVWKD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178650;MM178650;C#CCC(=CF)CC=O;KHEAUHSRNUHASO-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178651;MM178651;C#CCC(=CF)CC#N;AXDUZZPXSPPNJD-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178652;MM178652;C#CCC(CC=C)=NN;FHTUELZUCKTYCW-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178653;MM178653;C#CCC(CC=C)=NO;SXIVRFJIJURNAG-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178654;MM178654;C#CCC(=CC)NC=N;BPRUUKQTLGOVEK-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178655;MM178655;C#CCC(=NN)NC=O;UFFPJPMLLRMKQG-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178656;MM178656;C#CCC(=NO)NC=C;QAFGSYVQOZWAJI-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178657;MM178657;C#CCC(=NO)NC=O;GEEGYZWQBRDRIV-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178658;MM178658;C=C(C)CCC(=O)NNC;IOXPELXFHCIGAJ-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178659;MM178659;CC=CCCNNC(C)=O;GVAFPLDLCRMGKW-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178660;MM178660;C#CCC(=CC)CC#C;KKJHEUDMHUBDJL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178661;MM178661;C#CCC(=CF)CC#C;FRYJJWJQDKHTGR-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178662;MM178662;C#CCC(CC#C)=NN;ZDVKHZJXMIRUAA-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178663;MM178663;CC=CC(=CC)CCN;ZMMXTLYWHMBJNJ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178664;MM178664;CC=C(C=CF)CCN;FWWOZAJTFZWSIK-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178665;MM178665;CC=CC(=CC)CCF;JJVVPJXWKHSTAT-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178666;MM178666;CC=CC(=CF)CCN;XLYHHGGYZPZGHR-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178667;MM178667;CC=CC(=CF)CCF;HZTDUVPLVJVQPG-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178668;MM178668;CC=C(C=NN)CCF;VUJMAORZSDQOFT-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178669;MM178669;CC=C(C=NO)CCF;ZACMCWREWJNMKO-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178670;MM178670;CC=CC(=CC)CNC;BNDQBLOECYSLPQ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178671;MM178671;CC=CC(=CF)CNC;XGKXDVAPMFHONR-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178672;MM178672;CNCC(C=CF)=CF;HEGOVCNUTDSGES-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178673;MM178673;CC=CC(=CC)COC;ZMVBGLINEODAEZ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178674;MM178674;CCCC(C=CF)=NN;VVFMTCHVRCWLPT-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178675;MM178675;CC=CC(CCF)=NN;QKZVSAYKIACJOA-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178676;MM178676;NN=C(C=CF)CCF;YEGUPDJKZSMCKW-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178677;MM178677;CC=CCCC(=O)NNC;UXTZWTORRAZFKD-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178678;MM178678;CC#CC(O)CNN=CC;LSBIUPKDZSNNOD-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178679;MM178679;CCCC(C=CF)=NO;UETQKAWIKRSGDC-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178680;MM178680;CC=CC(CCF)=NO;RJOGEEKPKMPKAD-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178681;MM178681;CCCC(C=NO)=NN;DNLJPBIRBUCWNZ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178682;MM178682;CNCC(=CC=N)NN;VLUOTAQVQCSRJN-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178683;MM178683;CNCC(=CC=N)NO;BCWPDWZNLVHCRP-UHFFFAOYSA-N;129.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178684;MM178684;COCC(C=NO)=NN;UUXNYYNZAYHBSR-UHFFFAOYSA-N;131.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178685;MM178685;CCN=C(C=CN)NC;WUTVOXFHWFXJQK-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178686;MM178686;CCN=C(C=NN)NC;AEPYNKPKORLRFV-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178687;MM178687;CCCN(NC=O)C(C)C;YAMLHDBTUOBFMN-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178688;MM178688;CCN=c1nc(C)n(O)o1;HJDZSBDNRZNRJP-UHFFFAOYSA-N;143.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178689;MM178689;Cc1nc(=NC=N)on1O;YTCRVZMPNCQDPO-UHFFFAOYSA-N;142.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178690;MM178690;CNN=C(C=CN)NC;QXFBQZDGLTWRTA-UHFFFAOYSA-N;128.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178691;MM178691;N=c1c(N)cc(=O)on1O;NKFVRKROWLPVDX-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178692;MM178692;Cc1nc(=N)on(O)c1=N;LLPVAUJEBACLML-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178693;MM178693;CCNNC(=O)C(C)CC;BCLPGVWXHMQROF-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178694;MM178694;Nn1c(=O)c(F)c(F)n1O;DLOZGWPTEMERQC-UHFFFAOYSA-N;151.07;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178695;MM178695;N=c1c(F)c(N)n(O)n1O;UOQJWPLGTNOVAR-UHFFFAOYSA-N;148.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178696;MM178696;COn1oc(=N)n(O)c1=N;ZBVRBEXTMVKCSK-UHFFFAOYSA-N;146.11;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178697;MM178697;CNC(C=CF)=NOC;SZBFPAOOYCEGJJ-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178698;MM178698;CC=CC(=NOC)NN;CZGPEWMDPJNHGA-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178699;MM178699;CNc1cc(=N)nnn1O;AYSHKHSWFXLMDI-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178700;MM178700;C=CCC(C=CC)=CC;LDGJYNJEINPHEI-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178701;MM178701;CC=CC(=CC)CC=O;BWLCPGZBFWZCCL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178702;MM178702;CC=C(C=CF)CC=O;ONUMGBAIORFKML-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178703;MM178703;C=CCC(C=CF)=CF;PSWNEYXQFOIJCK-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178704;MM178704;CC=CC(=CF)CC=O;JVLMALAHGYVSFX-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178705;MM178705;CC=CC(=CF)CC#N;GCZBSUUVBDTDMM-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178706;MM178706;O=CCC(C=CF)=CF;IKKZWSYSPGBOBD-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178707;MM178707;CC=C(C=NO)CC=O;XUSHNSFJHJXNHC-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178708;MM178708;C=CCC(C=NN)=CF;MTVDENNLOOHLNX-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178709;MM178709;C=CCC(C=NO)=CF;PZRKRBZBPQYIJH-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178710;MM178710;C=CCC(C=CC)=NN;ULCOOPXWQNYONI-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178711;MM178711;C=CCC(C=CF)=NN;PYOGFGVJERMUBO-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178712;MM178712;C=CCC(C=CF)=NO;IKUDAYCDSDSDAT-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178713;MM178713;CC=CC(CC=O)=NO;VGZPNYHBMPVXIE-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178714;MM178714;CC=CC(=CC)NC=N;DOLBZTJLYCBECC-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178715;MM178715;CC=CC(=NC)NC=N;CDYIHQOBNQLQTM-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178716;MM178716;CC=CC(=NN)NC=O;INAOETDNLKGPCZ-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178717;MM178717;NC=CC(=NN)NC=O;HWSLEGSKAYMHJC-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178718;MM178718;NN=C(C=CF)NC=O;GVJUIHYFFCTIFM-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178719;MM178719;C=CNC(C=CF)=NO;BOPVBPMXSMLIJE-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178720;MM178720;NN=CC(=NN)NC=O;KTBODLOKJARLNH-UHFFFAOYSA-N;129.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178721;MM178721;NN=C(C=NO)NC=O;HCBFFNPKLXKCOP-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178722;MM178722;NN=CC(=NO)NC=O;CQPJSLBSIWDRBN-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178723;MM178723;O=CNC(C=NO)=NO;TWRZTOPPLKCWGF-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178724;MM178724;CN=c1ncc(=N)n(O)o1;VLGJBUAURQKNJF-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178725;MM178725;N=c1cnc(=NN)on1O;JPPAURPEMPOFDA-UHFFFAOYSA-N;143.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178726;MM178726;CC=C(C=CF)OC=O;WUIXNTGMQQZITD-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178727;MM178727;NC=C(C=NO)OC=O;XHOMFFQJGNSXFK-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178728;MM178728;C=COC(C=NN)=CF;ZDBXSOXNEQXUQM-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178729;MM178729;N=CNc1cc(CO)on1;MQNUHDXHMIQEKR-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178730;MM178730;NN=CC1=CCC(CF)=C1;LCKVGGPFANYSNN-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178731;MM178731;C#CCC(C=CC)=CC;GQCVAJICEDFPCE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178732;MM178732;C#CCC(C=CF)=CC;XCRJBKWJHBZUBL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178733;MM178733;C#CCC(C=CC)=CF;SSPRQDFLTNCJCU-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178734;MM178734;C#CCC(C=CF)=CF;QDQAPMHGXWQTET-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178735;MM178735;C#CCC(C=NN)=CC;IJQIVSKEIITPHN-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178736;MM178736;C#CCC(C=NO)=CC;ZFCOTYBLWPFMHX-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178737;MM178737;C=CC1=CCC(C=NN)=C1;ZXTIQWVBQAVCTB-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178738;MM178738;C#CCC(C=NO)=CF;CAUYPZVGPGPZLD-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178739;MM178739;C#CCC(C=CF)=NN;VBJLQDIBRQZRQY-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178740;MM178740;C#CCC(C=CC)=NO;UTRYZZNTVZFBPC-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178741;MM178741;CC#CC(=CC)CCC;JJBMYNVQZMEBSB-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178742;MM178742;CC#CC(=CC)CCN;BFGFJAQZPDHVMQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178743;MM178743;CC#CC(=CC)CCF;AZMMGAGMMSCSFY-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178744;MM178744;CC#CC(=CF)CCC;FCPRFABEZXIVIH-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178745;MM178745;CC#CC(=CF)CCO;QDAYYMVMLYZUJM-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178746;MM178746;CC#CC(=CC)CNC;JQAGTWJYYXCYDC-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178747;MM178747;CC#CC(=CC)COC;LONTXQKCJZLJHQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178748;MM178748;CC#CC(CCC)=NN;SMYJGCAUJXLUSH-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178749;MM178749;CC#CC(CCF)=NN;BQNPTXONNGVJRU-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178750;MM178750;CC#CC(CCF)=NO;FFUDLWBGPFFEFU-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178751;MM178751;CC#CC(=NCC)NC;XKYMUGNHBWZIKK-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178752;MM178752;CC#CC(=NOC)NC;YFKOHONUZFJKIZ-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178753;MM178753;CC#CC(=CC)OCC;JGUCIQAHSLVPJM-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178754;MM178754;CNc1noc(=NN)n1O;BQDJYOJWDYCCBR-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178755;MM178755;CC#CC(=NO)OCC;BBWFJDQJSSFXET-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178756;MM178756;C=CCC(C#CC)=CC;VEIJQCCCHGIQBG-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178757;MM178757;CC#CC(=CC)CC=O;YOPXRZXZJDGDBX-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178758;MM178758;CC#CC(=CC)CC#N;CRLNEKGZBGMUJS-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178759;MM178759;C=CCC(C#CC)=CF;KKGZILBUKJXJIP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178760;MM178760;CC#CC(=CF)CC#N;NDDADPHUPKVHFZ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178761;MM178761;CC#CC(CC=O)=NO;LFSXCSGIRSYUDS-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178762;MM178762;CC#CC(=CC)NC=N;LTUIIYWLXQANBB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178763;MM178763;CC#CC(=CF)NC=O;KVZONKORDADBFZ-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178764;MM178764;C=CNC(C#CC)=NC;WBEVBFGRYYTBQL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178765;MM178765;C=COC(C#CC)=CC;AVKYDKSEHNNZHY-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178766;MM178766;C=C(C)CNNC=O;AUSCMMUBXWWDDC-UHFFFAOYSA-N;114.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178767;MM178767;CNN=C1C=COC1;MJJRENPEYHIZOV-UHFFFAOYSA-N;112.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178768;MM178768;C=COC(C#CC)=NO;HLTBAZGHTYMDEK-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178769;MM178769;C#CCC(C#CC)=CC;BASNZKZLALTRTM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178770;MM178770;C#CCC(C#CC)=CF;PVAYLQGVZHWVCH-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178771;MM178771;C#CCC(C#CC)=NN;BFERMHRIOXJOEQ-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178772;MM178772;C#CCC(C#CC)=NO;ABYLQKNRSDQOFE-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178773;MM178773;CC=CC(C=CC)=CC;RWNAEUITRTZZBI-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178774;MM178774;CNC(=NC(N)=O)OC;DJBQTFGPXYARGP-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178775;MM178775;CC#CC(C=CC)=CC;IPQSRNKPFAQYRO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178776;MM178776;CC#CC(C=CF)=CC;BIODKVMRPOKTAA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178777;MM178777;CC#CC(C=NN)=CC;VZMDNELOZCUSNB-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178778;MM178778;CC#CC(C=NO)=CC;KYKQAHSGOMCVHP-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178779;MM178779;CC#CC(C=NN)=CF;NGQCIHGRXQSOII-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178780;MM178780;CC#CC(C=CC)=NN;IZRHHGVOAVRBGZ-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178781;MM178781;CC#CC(C=CC)=NO;RCWQPTGZUYSGJN-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178782;MM178782;CC#CC(C#CC)=CF;KADIHIATCALIQQ-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178783;MM178783;CCC=C(CC)CCC;UEXWGMADXSUAIL-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178784;MM178784;CCCC(=CCN)CC;BFQHKCBNWGTLNX-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178785;MM178785;CCC(=CCF)CCN;OFDGJCXBRZDSOJ-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178786;MM178786;CCC(=CCN)CCF;GRDMFLUFZNJRTO-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178787;MM178787;CCCC(=CCO)CN;DJROXAFSWYMIHU-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178788;MM178788;CCC=C(CN)CCO;CVNLAJNOHASWGC-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178789;MM178789;CCC=C(CN)CCF;KXCWHMGDLCVUSW-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178790;MM178790;CCCC(=CCN)CO;MHEWDZOTRGJFMT-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178791;MM178791;CCC=C(CO)CCN;SVBYMKSENJNEST-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178792;MM178792;CCC=C(CO)CCO;LMVRUEOCXIABRQ-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178793;MM178793;OCC=C(CO)CCO;OPWXOSDGXNFVNM-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178794;MM178794;OCC(=CCF)CCF;OQBZRKSLVIHKJQ-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178795;MM178795;CCC=C(CF)CCN;ZHIYAEGKQDESHE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178796;MM178796;NCC=C(CF)CCF;FCTGVFDNFJGIBY-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178797;MM178797;COC=C(CO)CCF;OKDGIALVNUSLOC-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178798;MM178798;CCC=C(CC)CNC;XZASYSDVOLYHIF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178799;MM178799;CNCC(=CCO)CO;ABQKVPZCMYVEQO-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178800;MM178800;CNCC(=CCF)CO;RBSRFPOZNSUGQW-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178801;MM178801;CCC(=COC)CNC;WTDYPOCLCIWWAC-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178802;MM178802;CCC=C(CC)COC;IHUOUVLUNBOEAZ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178803;MM178803;CCC(=CCO)COC;MSRRWFYUJGLLHH-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178804;MM178804;CCC=C(CO)COC;OUICVTZMBXRDKB-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178805;MM178805;COCC(=CCO)CO;SIHGMMCKABNDOW-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178806;MM178806;COC=C(CN)COC;GDTDTHFHXXDWNZ-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178807;MM178807;CCC=C(CCN)OC;HGMFCOGKRSQJKR-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178808;MM178808;CCC=C(CCO)OC;ZHFONUVORSVIBN-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178809;MM178809;COC(=CCN)CCO;VMNBDPLZOWBJFT-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178810;MM178810;COCC(=CCN)OC;PFVGPWRSZWSSEH-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178811;MM178811;CCCC(CC)=NNC;DUXXFIOVQRXDCM-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178812;MM178812;CCC(CCN)=NNC;KISNFBKJSCCNDI-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178813;MM178813;CC(=O)C(=N)NNC=O;ZKIMAOBCTJCNII-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178814;MM178814;CNN=C(CO)CCN;HMRTZNGHGMHNML-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178815;MM178815;C=C(CC)C(=O)NNC;NHMPQGHBIVAWRV-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178816;MM178816;CCCC(CF)=NNC;CBYJOUPQIXHLMV-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178817;MM178817;CON=C(CN)CCF;ALTKOAJPHXINDH-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178818;MM178818;C=Cc1nc(=N)on1O;YWNBMDOGJNFAJG-UHFFFAOYSA-N;127.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178819;MM178819;N#Cc1coc(=N)n1O;QFGSDVJESDAEEX-UHFFFAOYSA-N;125.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178820;MM178820;CON=C(CF)CCF;JTCYGJKVWSILJG-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178821;MM178821;N=c1ncon(O)c1=N;KIOHJIBZNDWWLW-UHFFFAOYSA-N;128.09;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178822;MM178822;C=CC(=O)NNC(C)(C)C;GMKVGSQHFGLIDF-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178823;MM178823;NC(=O)C(=O)N(N)CCF;BJCNQLPHAMSIAB-UHFFFAOYSA-N;149.13;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178824;MM178824;CNN=C(CCN)OC;CWYQKFXKMKAPQM-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178825;MM178825;N#CCc1cc(F)c(N)[nH]1;VSRIZFAWNRVTAN-UHFFFAOYSA-N;139.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178826;MM178826;CON=C(CCF)OC;MYKWYFRJBYFIGD-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178827;MM178827;CCN=C(CO)NNC;COCDYVKIDDTTAX-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178828;MM178828;CCN=C(CN)NOC;CSVBEMQJQXYFQY-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178829;MM178829;C#CC(O)CN(C=N)N=C;NHYSPPXIMMBDQE-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178830;MM178830;C=NN1CC1C(C)(O)CF;UVNLPWDHHBWRGR-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178831;MM178831;C=CC(=C)C(C)C(=O)NN;FITSPFIGYBADSQ-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178832;MM178832;C=CC(=C)C(C)NNC=O;YDPYUATWEMARCM-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178833;MM178833;C=CCCNNC(=O)C=C;XUWPUOAKVACNQU-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178834;MM178834;C=Nn1oc(=N)n(O)c1=N;LHMQIHMJALKGEI-UHFFFAOYSA-N;143.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178835;MM178835;CCN=C(NC)NNC;BMHQQENGUCATDZ-UHFFFAOYSA-N;130.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178836;MM178836;CCN=C(NO)NNC;HNUZOXJQEGIGEF-UHFFFAOYSA-N;132.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178837;MM178837;CNN=C(NC)NNC;SBGOBBBTMAODJZ-UHFFFAOYSA-N;131.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178838;MM178838;CNN=C(NN)NNC;HERFXCFZBNGRMM-UHFFFAOYSA-N;132.17;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178839;MM178839;CNN=C(NO)NNC;UUWLDKPNEIBMIA-UHFFFAOYSA-N;133.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178840;MM178840;CCN=C(NN)NOC;PICFCZBSJNICSF-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178841;MM178841;CCN=C(NO)NOC;CCAZEXIFFNJVFY-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178842;MM178842;CNN=C(NC)NOC;BTHJKDFKBJLVQR-UHFFFAOYSA-N;132.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178843;MM178843;CC#CC1C=CC(NO)=N1;KNFQGRUNDRYUKM-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178844;MM178844;CCOC(=CCO)CN;BJVRPEAPRFXWQH-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178845;MM178845;CCOC(=CCN)CO;VLRXJDKPIATPQV-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178846;MM178846;CCOC(=COC)CF;GAJSJFVVVOYZID-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178847;MM178847;C=Cc1nc(=NC)on1O;WUIBKNACEQOIHN-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178848;MM178848;C=Cc1nc(=NN)on1O;MSHGNSULOLNLGY-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178849;MM178849;C#CC1(O)CC1C1CN1C;HHWQJSZFVAPULI-UHFFFAOYSA-N;137.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178850;MM178850;CCOC(CC)=NOC;NNOJAKQPJQVMQW-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178851;MM178851;CCOC(CF)=NOC;RJDFEVVYMCSXGX-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178852;MM178852;CN=c1ncon(O)c1=N;DLNMUHARZMMEJM-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178853;MM178853;N=c1c(=NN)ncon1O;WPBGTCBCMRNABW-UHFFFAOYSA-N;143.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178854;MM178854;CN=c1nnn(C=N)n1O;NZZREOBODCWLTK-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178855;MM178855;C#Cc1nc(C)c[nH]1;YLFZHDHBJNPQGW-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178856;MM178856;CCOC(=NOC)OC;NNRIYUCKLNENGL-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178857;MM178857;C=CC=C(CC)CCC;OOIMZTWYTVIGIB-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178858;MM178858;CCCC(=CC=O)CC;ZTCBCVXFPLORRS-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178859;MM178859;CCCC(=CC#N)CC;UOYKYLPYEAMVAQ-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178860;MM178860;CCC(=CC#N)CCO;OUPSSPXXLGSMQB-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178861;MM178861;C=CC=C(CC)CCF;QBZJDSYWJFCRTH-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178862;MM178862;CCC(=CC#N)CCF;DQQYIRCMIDRPHP-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178863;MM178863;C=CC=C(CN)CCC;GWJONDYFUGAAAV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178864;MM178864;C=CC=C(CN)CCN;SOICSNNGTWVQSZ-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178865;MM178865;C=CC=C(CN)CCF;DPQMJJJNMMKJCR-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178866;MM178866;CCCC(=CC#N)CO;RCZXDOMBGQLDCD-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178867;MM178867;C=CC=C(CO)CCO;WILFCDIRXPDRLJ-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178868;MM178868;N#CC=C(CO)CCO;YZKJHWIMAQXQQU-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178869;MM178869;CCCC(=CC=O)CF;XUQFMKKOPKKTIB-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178870;MM178870;C=CC=C(CF)CCN;PNBBSRJVWOUUEU-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178871;MM178871;C=CC=C(CF)CCO;MYHDXAHNBGAEQV-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178872;MM178872;C=CC=C(CF)CCF;HCLCTDPWRIDDGU-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178873;MM178873;O=CC=C(CF)CCF;NVVXFPTVFVADSD-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178874;MM178874;N#CC=C(CF)CCF;KVDZSXMLRCGZBT-UHFFFAOYSA-N;131.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178875;MM178875;C=CC=C(CC)CNC;VUBKVDXFAONKHG-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178876;MM178876;CCC(=CC=O)CNC;MGVBZFRRTJLVRR-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178877;MM178877;CCC(=CC#N)CNC;VGOFIZQJPQGYIJ-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178878;MM178878;C=CC=C(CO)CNC;POAGCFZYHRRALE-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178879;MM178879;CNCC(=CC#N)CF;RDVCAFMPTZCKNR-UHFFFAOYSA-N;128.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178880;MM178880;C=CC=C(CC)COC;CEXIQUXDBYIKBD-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178881;MM178881;CCCC(=CC#N)NC;WXRAAKRVOUFJKS-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178882;MM178882;CNC(=CC#N)CCF;QNXBZNYATJKNRP-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178883;MM178883;C=CC=C(CCO)OC;MLCITPXQXXPKTI-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178884;MM178884;C=CC=C(CNC)OC;CLNQYELJHMCTNX-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178885;MM178885;COCC(=CC=O)OC;LHCOTKDBEGNWJH-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178886;MM178886;C=NN=C(CC)CCC;DQYXACWYWPDPFF-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178887;MM178887;C=NN=C(CC)CCN;SZUNMRDHWUDWHK-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178888;MM178888;C=NN=C(CF)CCC;HTEHTQHQMRTQLH-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178889;MM178889;C=NN=C(CF)CCF;DIEDCLTVUCGNBR-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178890;MM178890;C=NN=C(CO)COC;ZFNUEACFEGHFRH-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178891;MM178891;C=NNC(COC)=NO;DTCZICGRDXBMQF-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178892;MM178892;C=NN=C(CCN)OC;JJZCATIBHJGDFG-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178893;MM178893;C=NN=C(CCF)OC;XXRYYMQAPHSVDJ-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178894;MM178894;CCNC(=CC#N)NC;WOKNLTVEGIFHTN-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178895;MM178895;CCN=C(CO)NC=N;MREDUOKXDFGEPQ-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178896;MM178896;CCN=C(CO)NC=O;LOSRUJYBSPXNAA-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178897;MM178897;CCC(=NNC)NC=N;YXHIQTJMXXSSML-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178898;MM178898;CCC(=NOC)NC=O;UVWADMGPGANUAR-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178899;MM178899;CON=C(CF)NC=O;HQONAQLBMHALQE-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178900;MM178900;CCNC(=NC=N)NC;WBUGEWXIZMGIKI-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178901;MM178901;CCNC(=NC=O)NC;GECHEUOVCCWIRP-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178902;MM178902;CCNC(=NC=N)NN;ACGSFNBXPDQGMI-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178903;MM178903;CNNC(=NC=N)NC;AEAJRAJMJVUZHP-UHFFFAOYSA-N;129.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178904;MM178904;CNNC(=NC=N)NN;ZCUIBOSXMLAHBD-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178905;MM178905;CNNC(=NC=N)NO;YUUGSHJCGANZBA-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178906;MM178906;CNC(=NC=N)NOC;GRRSXRAFGXOVTG-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178907;MM178907;COCC(C)(O)C=NN;RGNPUVQLNCCTJO-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178908;MM178908;CCOC(=CC=O)NC;YBHDYOCITDNPGA-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178909;MM178909;CCOC(=CC#N)NC;WWNBUBNALRCOHS-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178910;MM178910;C=NN=C(CO)OCC;VUKSOGYEQDDWOP-UHFFFAOYSA-N;130.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178911;MM178911;CC(N)=C(C)C(=O)NN;HPIMRNNAEKEOMP-UHFFFAOYSA-N;129.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178912;MM178912;N=c1on(N)c(=N)n1O;IVAUNWVHGSUJAG-UHFFFAOYSA-N;131.1;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178913;MM178913;CC12CC(O)C(=O)C1N2;KUVXDTLQRPYUNK-UHFFFAOYSA-N;127.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178914;MM178914;C=NN=C(OC)OCC;QTWXAADCEPBWAN-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178915;MM178915;C#CC=C(CC)CCC;FTLGPXPVLUMLEX-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178916;MM178916;C#CC=C(CC)CCN;STVNTTRMSGZTJW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178917;MM178917;C=CC1NN=C(C)C1O;GVRJMRNKNCMTOM-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178918;MM178918;C#CC=C(CC)CCF;RBCFHGWQLNIDGN-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178919;MM178919;C#CC=C(CN)CCF;ZGLHUMOWZFPMKV-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178920;MM178920;C#CC=C(CO)CCF;MAJWDVYLQOOLQG-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178921;MM178921;C#CC=C(CF)CCN;OVIMNEOKYNYUNR-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178922;MM178922;C#CC=C(CF)CCF;KEGNUTUYUFJABH-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178923;MM178923;C#CC=C(CC)CNC;PKVCSVFXGUCNPK-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178924;MM178924;C#CC=C(CN)CNC;XQQHAMWQLRFIGA-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178925;MM178925;C#CC=C(CO)COC;LCCCFVPSHPWSIN-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178926;MM178926;C#CC=C(CCN)OC;MUZQIUVPZFOKQS-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178927;MM178927;C#CC=C(CCF)OC;DYYNVHQGTKLQDD-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178928;MM178928;C#CC=C(COC)OC;AUDYQQQTHFOEQW-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178929;MM178929;C#CC=C(CC)OCC;WMELRPLRPINRMB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178930;MM178930;C#CC=C(CN)OCC;RIBQMGGQSHBTAA-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178931;MM178931;C#CC=C(CO)OCC;FXUYRGSREFPNDZ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178932;MM178932;C=CCC(=CCC)CC;KSJOQAXIIGDYGV-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178933;MM178933;C=CCC(=CCN)CC;CBCBRBKLOYEKSG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178934;MM178934;C=CCC(=CCO)CC;FCNUJZQPNSCIBN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178935;MM178935;CCC=C(CC)CC=O;NUBBRIKNYXNORY-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178936;MM178936;CCC(=CCO)CC#N;ZEZILVRENRDVCS-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178937;MM178937;CCC(=CCF)CC#N;GTLSBFOAPXCBCI-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178938;MM178938;C=CCC(=CCC)CN;QMACOWPREMQTOH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178939;MM178939;C=CCC(=CCO)CN;OSRMCFOMSSSDBC-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178940;MM178940;C=CCC(=CCF)CN;IICMQOYTHUODAB-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178941;MM178941;CCC=C(CO)CC#N;UJIABHSVWQEXQF-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178942;MM178942;N#CCC(=CCO)CO;FCNUJBLXBZSXTN-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178943;MM178943;O=CCC(=CCF)CF;MXJQCBPPUONKNG-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178944;MM178944;N#CCC(=CCF)CF;XULWMNJZAKATFH-UHFFFAOYSA-N;131.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178945;MM178945;CCC(=COC)CC#N;VBPJODNGYCEVQE-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178946;MM178946;C=CCC(=CCF)OC;PLXAOXXUYDZIBO-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178947;MM178947;COC(=CCF)CC=O;RSIYCYPSIUFVMB-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178948;MM178948;C=CCC(CC)=NNC;JPMOREVPQCKCTN-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178949;MM178949;CN=c1onc(N)n1O;DNQFSXGBEUYJSI-UHFFFAOYSA-N;130.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178950;MM178950;C=CCC(CN)=NOC;CFFBMEZQZCONBP-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178951;MM178951;C#Cc1n[nH]c(N)c1F;OLXGJZSYWJLKQW-UHFFFAOYSA-N;125.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178952;MM178952;CCC(=CCN)NC=N;SYBCUDCWFPPRLK-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178953;MM178953;CCC(=CCF)NC=N;KBGVGRLXUZGFPL-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178954;MM178954;CCC(=CCN)NC=O;MQBUVZSKTBMJJK-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178955;MM178955;CCC=C(CN)NC=N;HWRZHNUXYMADRD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178956;MM178956;N=CNC(=CCN)CN;ZTHDXEHUFWWXGD-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178957;MM178957;CCC=C(CN)NC=O;PZRNTOLZHOWXKC-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178958;MM178958;NCC=C(CO)NC=O;ZKUFYBIXBISQJC-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178959;MM178959;N=CNC(=CCN)CF;FQITWYVGLNAQHP-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178960;MM178960;NCC=C(CF)NC=O;LZQWKNACOSWJQG-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178961;MM178961;CCC(=COC)NC=N;LGXPSWKAHUMXSQ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178962;MM178962;COC=C(CO)NC=N;NHSBVIUKMQOHRB-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178963;MM178963;COC=C(CO)NC=O;NIFPXIJZXPSNAP-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178964;MM178964;CCC=C(NC=N)OC;MSHPARLVKASHNU-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178965;MM178965;COC(=CCO)NC=N;FAGMKIGYIBRGEA-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178966;MM178966;CCC=C(NC=O)OC;XLYWTEADJVGKRG-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178967;MM178967;COC(=CCN)NC=O;ANLFKESCTKTWHX-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178968;MM178968;COC(=CCO)NC=O;YTEHPTJEQKZMCA-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178969;MM178969;COC(=CCF)NC=O;QSYBSMFIQXUVNW-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178970;MM178970;C=CNC(=NCC)NC;GMKIWEHMZVBZSH-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178971;MM178971;CCN=C(NC)NC=N;WBUGEWXIZMGIKI-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178972;MM178972;CCN=C(NC)NC=O;GECHEUOVCCWIRP-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178973;MM178973;CCN=C(NN)NC=N;ACGSFNBXPDQGMI-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178974;MM178974;CCN=C(NO)NC=N;DFIPNHPIYBBQMA-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178975;MM178975;C=CNC(=NNC)NC;BHQDFGZROYWYFW-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178976;MM178976;C=CNC(=NNC)NN;FLSWAKVLKVYGGN-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178977;MM178977;CNN=C(NN)NC=N;ZCUIBOSXMLAHBD-UHFFFAOYSA-N;130.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178978;MM178978;C=CNC(=NNC)NO;WPLUSAGEQMMODD-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178979;MM178979;CNC(=NOC)NC=N;GRRSXRAFGXOVTG-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178980;MM178980;CN=C(C=O)NNC=O;LQFKGRMYNSTSAK-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178981;MM178981;C=CC(O)C#CC1CN1;VREJZEOBEYGKJX-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178982;MM178982;CCN=C(NC=O)OC;GZUCBTZUUBLCHT-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178983;MM178983;NN=CC#CCNC=O;DYCVNLVXJQDUMD-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178984;MM178984;C=CNC(=NOC)OC;BOTXGTMHHVMKJM-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178985;MM178985;C#CC(O)CN(N)C(N)=O;KJUFKRDCZLZIBZ-UHFFFAOYSA-N;143.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178986;MM178986;C=COC(=CCN)CC;MUUSPIUMUVFLSD-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178987;MM178987;C=COC(=CCN)CO;DUPJXDFTUWGYOX-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178988;MM178988;NCC=C(CO)OC=O;ATCPRLMUPPTKHC-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178989;MM178989;C=COC(=COC)CF;ZDBSQXKIHFCTQL-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178990;MM178990;CC1(C)CC1CC(=O)NN;RYOKTVZTENTUNT-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178991;MM178991;CNN=C(CO)OC=O;FWQUHPUSUXXEFO-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178992;MM178992;CON=C(CO)OC=O;RTJBREIPINSLMT-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178993;MM178993;C=COC(CF)=NOC;PNDUVYOSYSNQGM-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178994;MM178994;CC1CC1(C)CC(=O)NN;MALUMXDFYQWHKV-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178995;MM178995;CC1CC1(C)CNNC=O;IWGNRSXTCFAJAE-UHFFFAOYSA-N;142.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178996;MM178996;C=NOC(=NCC)NC;KHVLZYHDXHODFU-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178997;MM178997;CC1C(C2(O)CC2O)N1C;YZYPSFNTKNPAMX-UHFFFAOYSA-N;143.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178998;MM178998;N=c1cc(F)c(=O)on1O;BOSWYRAFWLEHHL-UHFFFAOYSA-N;146.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM178999;MM178999;CON=C(OC)OC=O;LWRPRSPLWXIAIF-UHFFFAOYSA-N;133.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179000;MM179000;C=CC=C(CC)CC=C;KAGRSEUSKWYOPX-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179001;MM179001;C=CCC(=CC=O)CC;QZRCBUIEZVRWPO-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179002;MM179002;C=CCC(=CC#N)CC;DLCKEXRWYLYSSI-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179003;MM179003;C=CC=C(CC)CC=O;QCSZWPUEKDNWAJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179004;MM179004;C=CC=C(CC)CC#N;ICVQDFUSEVMEKV-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179005;MM179005;CCC(=CC=O)CC#N;YFJNCMHGRFGGHK-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179006;MM179006;CCC(=CC#N)CC=O;QUOGRKMKIPQHSA-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179007;MM179007;C=CC=C(CN)CC=C;UPKPSNJDUYKUBU-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179008;MM179008;N#CC1CC(O)(CF)CN1;QNLHXRZQHZPLMD-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179009;MM179009;C=CC=C(CO)CC#N;BASNUZGSHXACBJ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179010;MM179010;C=CCC(=CC#N)CF;JNLZOLNPIFHVFD-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179011;MM179011;C=CC=C(CF)CC=O;XQYNUOFNHKMNLD-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179012;MM179012;O=CC=C(CF)CC=O;DKCAZZHUBQFKBI-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179013;MM179013;N#CC=C(CF)CC=O;BQNBDHUEQKSOHD-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179014;MM179014;N#CC=C(CF)CC#N;HLNGTZOHPDWFRN-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179015;MM179015;C=CCC(=CC=O)NC;SBZJRGQJGPJTED-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179016;MM179016;C=CCC(=CC#N)NC;AZMAAFVWUXMFRX-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179017;MM179017;C=CC=C(CC#N)OC;AOVPRJXUSGREET-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179018;MM179018;COC(=CC#N)CC#N;XVOLMDANGFEWDB-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179019;MM179019;CCC1(CC(=O)NN)CC1;WISVDGIMNHMJDK-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179020;MM179020;C=NN=C(CC=O)OC;XZAOMUVCHDCKEO-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179021;MM179021;NC=NC(=CC=O)CO;GEPFQIWOQDIEGN-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179022;MM179022;O=CC=C(CO)NC=O;XCZXJKDVJNVSDY-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179023;MM179023;N=CNC(=CC=O)CF;OSGIQGZKSZWYJC-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179024;MM179024;O=CC=C(CF)NC=O;DNSFTYWIDRWMHI-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179025;MM179025;CN=C(N)C(=O)C(C)C#N;YZXPEVJTEMPQMN-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179026;MM179026;CC=C(C)C(=O)NNCC;JZUHXODZULMOQG-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179027;MM179027;CNC(=CC=O)NC=O;ITTRYEODSNNBQJ-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179028;MM179028;COC(=CC=O)N=CN;PKMFCYRZZFQIPA-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179029;MM179029;COC(=CC#N)NC=N;PBJVZKCCERXQHL-UHFFFAOYSA-N;125.13;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179030;MM179030;C=CC=C(NC=O)OC;ONIBWYUYWRWLJJ-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179031;MM179031;CNN=CC#CC(=O)CO;OOJRFKMJXIBVFY-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179032;MM179032;CCC(=NC=N)NC=N;ZMRNBSAFDLVIQO-UHFFFAOYSA-N;126.16;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179033;MM179033;C=CN=C(CO)NC=N;DTPXHDNQFISMBR-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179034;MM179034;C=CN=C(CO)NC=O;CPHSOKAOYBKGCJ-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179035;MM179035;N=CN=C(CO)NC=O;IHOOLQVNAWUEBQ-UHFFFAOYSA-N;129.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179036;MM179036;O=CN=C(CO)NC=O;LLHOJFJFECCYTP-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179037;MM179037;N=CN=C(CF)NC=O;YUYKCMAGQGGUGZ-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179038;MM179038;O=CN=C(CF)NC=O;IDXFZCQBTLPPJH-UHFFFAOYSA-N;132.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179039;MM179039;C#CC1(O)CC1CNN=C;DFOZSFQELPRQEC-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179040;MM179040;C=CNC(=NC=O)NN;ADQRGNDSNILTBH-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179041;MM179041;COC(C=NN)C(O)CO;SPFNAZWPKGKKOM-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179042;MM179042;C=CNC(=NC=N)NO;SRFCHQMQLYOBCD-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179043;MM179043;C=NOCC(=CF)NC=O;BPEKLNUTGRQAAM-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179044;MM179044;O=CN=C(NO)NC=O;ILNCBDMXEAUDFL-UHFFFAOYSA-N;131.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179045;MM179045;CC1C(C)C1CC(=O)NN;MCVWOPFJCNWSNW-UHFFFAOYSA-N;142.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179046;MM179046;Cn1oc(=NN)n(O)c1=N;KEVNKARLMNHORL-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179047;MM179047;CN=c1on(N)c(=N)n1O;SCCLHXYJNBMPCH-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179048;MM179048;N#CCC(O)C(C#N)=CN;QXASFZCZOFBCQB-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179049;MM179049;COC(=NC=O)NC=O;SICHRGGFYUDXAO-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179050;MM179050;C=COC(=CC=O)CC;GVLOEFJUEKHUDW-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179051;MM179051;C=COC(=CC#N)CC;WFEXTKBNHLHYNM-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179052;MM179052;C=CC=C(CN)OC=O;VJGRRKZTJIWUPB-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179053;MM179053;C=COC(=CC=O)CO;RJRIZTNJZNKKLR-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179054;MM179054;O=CC=C(CO)OC=O;YSUZGFPUUHIQBT-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179055;MM179055;C=COC(=CC#N)CF;MXNIYGWCEKHGEP-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179056;MM179056;CNC(=CC=O)OC=O;OZQJSFAWSFKKRG-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179057;MM179057;C=NN=C(CC)ON=C;FYEKONYIVFIMTA-UHFFFAOYSA-N;127.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179058;MM179058;CCC1(CNNC=O)CC1;ZDEYPPLXTOYVPD-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179059;MM179059;CC1CC1CCC(=O)NN;HRVBAGIFXVKKJI-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179060;MM179060;O=CN=C(NO)OC=O;HGAWRPVECHNXCS-UHFFFAOYSA-N;132.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179061;MM179061;C#CC=C(CC)CC=C;QCBVHASVWSRZMQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179062;MM179062;C#CC=C(CC)CC=O;BLBAFNUPTHWUJB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179063;MM179063;C#CC=C(CC)CC#N;KVHDLGGLIKCAEV-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179064;MM179064;C#CC=C(CO)CC#N;WSGUGJZCWOAWBH-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179065;MM179065;C#CC=C(CC)NC=N;GROAQBUQCDKQER-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179066;MM179066;C#CC=C(CC)NC=O;XAUNZMUEQPMZHM-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179067;MM179067;C#CC=C(CN)NC=N;BFJULRAFZDQJHC-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179068;MM179068;C#CC=C(CN)OC=C;TWLWGPMWJWTTRZ-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179069;MM179069;C#CCC(=CCC)CC;FCIFFZZWBZXNCA-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179070;MM179070;C#CCC(=CCN)CC;QELRCJKNWLGRFG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179071;MM179071;C#CCC(=CCF)CC;UFOCZEWKFCJKOP-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179072;MM179072;C#CCC(=CCN)CN;LFOYCUBWLTYBKC-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179073;MM179073;C#CCC(=CCN)CO;DKPXGRMCVLJISG-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179074;MM179074;C#CCC(=CCF)CO;GRAOLKIPLXURRG-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179075;MM179075;C#CCC(=CCO)CF;SMVNUYLEHSKJLC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179076;MM179076;C#CCC(=CCN)OC;ADODBNOIRHNCDJ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179077;MM179077;C#CCC(=COC)OC;MDXUNOOXFLFGNK-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179078;MM179078;C#CCC(CC)=NNC;JSLVQOOUSAKXDZ-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179079;MM179079;C#CCC(CC)=NOC;ARLSAQWXCVRZHE-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179080;MM179080;C#CCC(CN)=NOC;VRGXTLMDOIPKTC-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179081;MM179081;C#CCc1nc(C=C)c[nH]1;PIJVAOYTSFTSRX-UHFFFAOYSA-N;132.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179082;MM179082;C#CCC(=CC=C)CC;JCFWJUJPRCVKBD-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179083;MM179083;C#CCC(=CC=O)CC;SCGJYGPGCNAUPX-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179084;MM179084;C#CCC(=CC#N)CC;DZWDHLRSTXDDHD-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179085;MM179085;C#CCC(=CC=C)CN;CEDXTSVPLMFWJC-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179086;MM179086;C#CCC(=CC=C)CF;SDMYKDZTNSKZRP-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179087;MM179087;C#CCC(=CC#N)CF;BWUOLZLIOZXGRP-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179088;MM179088;C#CCC(=CC=O)OC;DKYIQGYYDOCVCU-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179089;MM179089;C#CCC(=CC#N)OC;ZDYCQVZVZGIBRI-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179090;MM179090;C#CCC(CC)=NN=C;OCAOSAYNNRGTAR-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179091;MM179091;C#CCC(CF)=NN=C;AMMNOISMTQJOJH-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179092;MM179092;C#CCC(=NN=C)OC;HBBWRQFXWJEDCW-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179093;MM179093;C#CC=C(CC)CC#C;YVKCXUNABMFZHC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179094;MM179094;C#CC=C(CN)CC#C;IFORGNCQSUYJFA-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179095;MM179095;C#CC=C(CO)CC#C;MYGAONKFCCCEER-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179096;MM179096;C#CC=C(CC#C)OC;RXEGUUDVILIQCN-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179097;MM179097;C=CC(=CCN)CCC;QVMAFKKKZVDRCH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179098;MM179098;C=CC(=CCC)CCN;AELXRLUVJGWITN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179099;MM179099;C=CC(=CCN)CCN;FRMZHRFPAIWHAQ-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179100;MM179100;C=CC(=CCN)CCF;UDSPZMQWCPDPQM-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179101;MM179101;CCC=C(C#N)CCC;IZHXLXHDKKJAFE-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179102;MM179102;CCCC(C=O)=CCO;GNYZNBRNNPDDDW-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179103;MM179103;CCCC(C#N)=CCO;GAKRHSSJHQFWJF-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179104;MM179104;CCCC(C#N)=CCF;KJUVRMUWGKFMNY-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179105;MM179105;CCC=C(C=O)CCF;VKCPYLGFVHFDAA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179106;MM179106;O=CC(=CCF)CCF;IKEQGEAJSVYMGL-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179107;MM179107;CCCC(C=O)=CNC;PRPXEMQWFUMJEG-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179108;MM179108;CCCC(C#N)=CNC;JYKHHKHTBZZQEZ-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179109;MM179109;Cn1oc(=N)n(O)c1=NN;IMUULKJXDGYACB-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179110;MM179110;CCC=C(C=O)CNC;FJJZRTLVNJKPSG-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179111;MM179111;C=CC(=CCC)COC;UCTVILSGHJMLHZ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179112;MM179112;CCC=C(C#N)COC;NCQLTHWEPGWODZ-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179113;MM179113;CNC=C(C#N)COC;WKIUILUCPQAVNK-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179114;MM179114;C=CC(CCC)=NNC;FTUNWIBFECCADE-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179115;MM179115;CN=c1n(N)oc(=N)n1O;LTSVCVXWXLNAHS-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179116;MM179116;Cn1cc(F)n(O)c1=NN;AWWMYEIZEPMUDD-UHFFFAOYSA-N;146.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179117;MM179117;CON=C(C=O)CCF;FUFHQOGREYNJLS-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179118;MM179118;C=CC(CNC)=NOC;VSYPTIATKDXJKC-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179119;MM179119;CCN=C(C=O)NCC;YQGZUQFABZSMCB-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179120;MM179120;CCN=C(C#N)NCC;NHDDPLNHHZPNBD-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179121;MM179121;C=CC1NC1C1(O)CC1O;JVXRBAMDJCCTRL-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179122;MM179122;C#CC1(O)CC1CN1CC1;NIDRUQLZZWXJDG-UHFFFAOYSA-N;137.18;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179123;MM179123;C=Cn1nnc(=NN)n1O;ZCXLDOFSKQSURP-UHFFFAOYSA-N;142.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179124;MM179124;C=CC(=NOC)NOC;LCLAVPZKWVPRNJ-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179125;MM179125;CCOC(C#N)=CCO;GCMOHEHCVQFYJE-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179126;MM179126;CCOC(C=O)=CNC;OZOYIOKHIFBPOC-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179127;MM179127;CCOC(C#N)=CNC;RKZSPGKEHVQIJD-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179128;MM179128;C=CC(=COC)OCC;DKXZPHJZMKZHCM-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179129;MM179129;CCOC(C=O)=COC;YZKNRULNCYKTOK-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179130;MM179130;CCOC(C#N)=COC;XPKOAUGNPRZDJL-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179131;MM179131;CN=c1onc(NC)n1O;IPVMWPHIVMXVQK-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179132;MM179132;C=CC(=NOC)OCC;GHIWYAVWSQJFAO-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179133;MM179133;C=CC=C(C=C)CCC;UCMXEOLYQKFWGP-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179134;MM179134;C=CC(=CC=O)CCC;NGGWEXDWJKKDFK-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179135;MM179135;C=CC(=CC#N)CCC;FCJBAUIMSPMOMZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179136;MM179136;C=CC=C(C=C)CCN;MRMNLUKDONCLRY-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179137;MM179137;CC1CC1CCNNC=O;SFCHWVHGQHDJAO-UHFFFAOYSA-N;142.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179138;MM179138;NN=CC#CC1C(O)C1O;KGRDLLVDLRGABL-UHFFFAOYSA-N;140.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179139;MM179139;C=CC(=CC#N)CCO;OKBVUSUXSMCRNY-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179140;MM179140;C=CC=C(C=C)CCF;QHGRLQKZOBMVPQ-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179141;MM179141;C=CC(=CC#N)CCF;FUERCXCTZFMEJU-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179142;MM179142;C=CC=C(C#N)CCC;FIVMPIPPOBFGNR-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179143;MM179143;CCCC(C=O)=CC=O;MDTXZZAZDCHUIJ-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179144;MM179144;CCCC(C#N)=CC=O;RWORLGAEJJCNEU-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179145;MM179145;CCCC(C=O)=CC#N;ONKSKVLFJSAASF-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179146;MM179146;CCCC(C#N)=CC#N;XPWIXVCBJCJEGC-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179147;MM179147;C=CC=C(C=O)CCO;JNSKEOVKVMCUNF-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179148;MM179148;C=CC=C(C#N)CCO;XYDIMAOQKCZAIM-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179149;MM179149;O=CC=C(C=O)CCO;RGQHIKLDMCMESB-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179150;MM179150;N#CC(=CC=O)CCO;GJBSGOAWZTVDJY-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179151;MM179151;C=CC=C(C=O)CCF;REYPSXGCPNFUIK-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179152;MM179152;C=CC=C(C=C)CNC;GKKHJEINFNPMOF-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179153;MM179153;C=CC(=CC#N)CNC;LPGAGYRGINYKLH-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179154;MM179154;CNCC(C#N)=CC#N;JREBUZGYDIWNLT-UHFFFAOYSA-N;121.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179155;MM179155;C=CC=C(C=C)COC;OQCGXTBXGPSBOH-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179156;MM179156;C=CC(=CC#N)COC;PWRHWOVFGCWNJU-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179157;MM179157;C=CC=C(C#N)COC;RXZCSCAPAKGURW-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179158;MM179158;C=CC(CCC)=NN=C;AGXGSYGKZAKRJC-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179159;MM179159;C=CC(CCN)=NN=C;BDXNDJTUNDBAPA-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179160;MM179160;C=CC(CCF)=NN=C;HVTZDLFAZMJQDQ-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179161;MM179161;C=NN=C(C#N)CCO;GAYVWZZBLBDYCL-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179162;MM179162;C=NN=C(C#N)COC;WFOVYUUJYWUTQI-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179163;MM179163;C=CC(=CC=O)NCC;HYIHCEYNNSZSME-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179164;MM179164;CCNC(C=O)=CC=O;CMQASKXKCYAHBY-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179165;MM179165;CCNC(C#N)=CC=O;UBTPEFDGDVZQOF-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179166;MM179166;CCNC(C=O)=CC#N;JFEDVGJRMYYNIN-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179167;MM179167;OC1C=NOC1;SPOSYASOTGMRDA-UHFFFAOYSA-N;87.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179168;MM179168;C=CC(=NNC)NC=N;VUGKTVVIZKDMRO-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179169;MM179169;CC#Cc1cc(O)n(N)n1;YIWLNXOGSVLVOJ-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179170;MM179170;NN=C1CNC(=O)C1;LCPPTWIENRUTFO-UHFFFAOYSA-N;113.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179171;MM179171;C=CC=C(C=C)OCC;UUJCKNOTMGNMGK-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179172;MM179172;C=CC(=CC#N)OCC;JBUGECRITYRRDQ-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179173;MM179173;C=CC=C(C#N)OCC;RSXVTBXZQMVSGA-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179174;MM179174;CCOC(C=O)=CC=O;GJTPSCYGSAWIOG-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179175;MM179175;CCOC(C#N)=CC=O;DWDPKETWOWOMTE-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179176;MM179176;CCOC(C=O)=CC#N;VRWXIOKNMFIIGQ-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179177;MM179177;C=NN=C(C=O)OCC;FHKZNLOWWZVHQS-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179178;MM179178;C=NN=C(C#N)OCC;IHYNLIGQMDXEJS-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179179;MM179179;C#CC=C(C=C)CCC;MCCLEAFTMPJGJS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179180;MM179180;C#CC=C(C=C)CCN;GVWOKXUGNFZPLM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179181;MM179181;N=c1onc(N)n1O;QGEJGVTXBCNSAO-UHFFFAOYSA-N;116.08;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179182;MM179182;C#CC=C(C=C)CCF;MTVVYGRPHQFNSB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179183;MM179183;C#CC=C(C=O)CCC;PVLKAMRTNPKNOM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179184;MM179184;C#CC=C(C=O)CCO;ZHDCFALSDHLCCT-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179185;MM179185;C#CC=C(C#N)CCO;KYEJGXXBFPSCOP-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179186;MM179186;C#CC=C(C=O)CCF;XVVJDKQDVSRQAQ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179187;MM179187;C#CC=C(C#N)CCF;QADUQFABBJRKFC-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179188;MM179188;C#CC=C(C=C)COC;KGXULEMSZBBUMS-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179189;MM179189;C#CC=C(C=O)COC;GLRNPHGGHXHBKA-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179190;MM179190;C#CC=C(C=O)OCC;CEEVDPICMWNYEW-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179191;MM179191;C#CC=C(C#N)OCC;KAQWLSUEXMDCBJ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179192;MM179192;C=CCC(C=C)=CCC;HAVZTUWZWONYJD-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179193;MM179193;C=CCC(C=C)=CCN;CIKMEOIMOXUMCH-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179194;MM179194;C=CCC(C=C)=CCF;CVYROBOASWDOJL-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179195;MM179195;C=CC(=CCC)CC#N;UBGMDBMZIFOENZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179196;MM179196;C=CC(=CCF)CC=O;ZOKDLBHSROQQBO-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179197;MM179197;C=CCC(C=O)=CCF;ONBLLNJRUSZMKF-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179198;MM179198;C=CCC(C#N)=CCF;MFSXJILAPPZYJR-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179199;MM179199;CCC=C(C=O)CC#N;GZWOHWYVWCKMSU-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179200;MM179200;N#CCC(C=O)=CCO;JLCMRFBBYCURCX-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179201;MM179201;N#CCC(C#N)=CCO;XZPDLYUZOIEJPY-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179202;MM179202;O=CCC(C=O)=CCF;LBSZSYBFHLAFMF-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179203;MM179203;C=CCC(C#N)=CNC;GJPQNICZBLHDRF-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179204;MM179204;CNC=C(C=O)CC=O;VMXPMZFCVNOTOA-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179205;MM179205;CNC=C(C=O)CC#N;OCVDNHLYUUQMMK-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179206;MM179206;O=C1C(O)CC2NC12;RCRVZWZLJINDPG-UHFFFAOYSA-N;113.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179207;MM179207;COC=C(C=O)CC#N;VIYLOTWYPOYRGB-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179208;MM179208;C=C(C)C(=C)C(=O)NN;AJROAGNFRIQWFZ-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179209;MM179209;CON=C(C#N)CC#N;SSEFCQPYXQMVJN-UHFFFAOYSA-N;123.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179210;MM179210;C=CC(=CCF)NC=N;ITMSQWQPQQHDNR-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179211;MM179211;NC=NC(C=O)=CCO;HHPYIHKLWXMNPN-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179212;MM179212;N#CC(=CCO)NC=N;XBHXZUNLAAMQQN-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179213;MM179213;O=CNC(C=O)=CCO;OTDWAPXQWCRPAQ-UHFFFAOYSA-N;129.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179214;MM179214;N#CC(=CCO)NC=O;GDRXCJWTGZWACC-UHFFFAOYSA-N;126.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179215;MM179215;CNC=C(C#N)NC=N;OONBDCCKLBANRM-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179216;MM179216;C=CNC(C=O)=NCC;YWJLHWKRRNOEON-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179217;MM179217;C=CNC(C#N)=NCC;ZHHFGZOPXPBXHU-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179218;MM179218;C=CNC(C=C)=NNC;UVXRYQHNZIJMNQ-UHFFFAOYSA-N;125.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179219;MM179219;C=CN=C(C=C)NOC;KCUJICSRGQHTSF-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179220;MM179220;C=COC(C=C)=CCF;DDXSTIBUDXMTGB-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179221;MM179221;C=COC(C=O)=CCF;DMZGGXNICSWXLJ-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179222;MM179222;C=COC(C=O)=CNC;QQBWAZKCTQEZLN-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179223;MM179223;C=COC(C#N)=CNC;VBCNQEIAZNISON-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179224;MM179224;CNC=C(C=O)OC=O;VLWKDERKXNATOI-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179225;MM179225;C=COC(C=C)=COC;OOAMYMQZHSEUBN-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179226;MM179226;C=COC(C=O)=COC;RHCQHFCXOXCYKH-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179227;MM179227;C=NNC1CC1(O)CF;PSCNYXPMKUSSSB-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179228;MM179228;N=c1c(=O)n(N)on1O;RICMWZZNRNDDPJ-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179229;MM179229;C=COC(C=C)=NOC;XELBMAPKMWCHJM-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179230;MM179230;CN1CC1C1(O)CC1O;CFORSQOYONQPGG-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179231;MM179231;C=CC(=NOC)ON=C;CBNXTBSSKCHTBS-UHFFFAOYSA-N;128.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179232;MM179232;C=CC=C(C=C)CC=C;PVOGPYXTXFFGIN-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179233;MM179233;C=CCC(C=C)=CC#N;LFSCAKFUIWFXCI-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179234;MM179234;C=CC=C(C=C)CC=O;JWQHVXFTVSUNPR-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179235;MM179235;C=CC=C(C=C)CC#N;GJYNAZLTJKGHFC-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179236;MM179236;C=CC(=CC=O)CC=O;JJEOFBAYLREANQ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179237;MM179237;C=CC(=CC#N)CC=O;HSKAFBSCENLRJP-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179238;MM179238;C=CC(=CC#N)CC#N;MKPXGHOHLKMKDT-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179239;MM179239;C=CC=C(C=O)CC=C;SATPGCSBMQWAMR-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179240;MM179240;C=CCC(C=O)=CC=O;ORLJSTHWXZKOJC-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179241;MM179241;C=CCC(C=O)=CC#N;PMKKGOOZESUOSP-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179242;MM179242;C=CCC(C#N)=CC#N;JHBSZSKCHWVCCF-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179243;MM179243;C=CC=C(C=O)CC=O;IQXHURMSRQIMHB-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179244;MM179244;C=CC=C(C#N)CC#N;HDBIYWSQRMMBHX-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179245;MM179245;O=CC=C(C=O)CC=O;YSSNQPKBJZJLFT-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179246;MM179246;N#CC(=CC=O)CC=O;BXSZYMRRGTYMSF-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179247;MM179247;N#CC=C(C=O)CC=O;VANCPYUGXAIUJD-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179248;MM179248;C=CCC(C=C)=NN=C;VPMHMEWTXKSUBQ-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179249;MM179249;C=CC(CC#N)=NN=C;NYVGSZQCEIHQFY-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179250;MM179250;C=NN=C(C=O)CC=O;FEJKPNMQSLEQNA-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179251;MM179251;C=NN=C(C#N)CC#N;DLDOHOWXZBBHJQ-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179252;MM179252;C=CC(=CC=O)NC=N;XISCTYBFIHSIHK-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179253;MM179253;C=CC=C(C=O)NC=N;PDTVLHJKJMKFGK-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179254;MM179254;C=CC=C(C#N)NC=O;DYZVPKLPCDMKDZ-UHFFFAOYSA-N;122.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179255;MM179255;N#CC(=CC=O)NC=O;HFOQXQYCJIKEAY-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179256;MM179256;C=CN=C(C=C)NC=N;ITGXQBKWOPEDDF-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179257;MM179257;C=CC(=NC=N)NC=N;WTICICGGWYQICA-UHFFFAOYSA-N;124.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179258;MM179258;Cn1nnc(=NN)n1O;WMZQJCCCHVDUFN-UHFFFAOYSA-N;130.11;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179259;MM179259;C#CC(O)CN(N)C(C)=O;CJCNPWWRJXPGDO-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179260;MM179260;C=CC(=NN=C)NC=O;YCGHONGBGMPQPO-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179261;MM179261;C=C(C)C=CC(=O)NNC;JZIGZTLFCHJHJF-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179262;MM179262;C#CC(O)CN(N)C=NN;XNZZKMWULGOSTE-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179263;MM179263;NN1CC(O)(CO)CC1=O;JHALWTYQOZHQFV-UHFFFAOYSA-N;146.15;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179264;MM179264;C=COC(C#N)=CC=O;ATLNVQDXBMTKPS-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179265;MM179265;C=COC(C=O)=CC#N;DAVQNVIBMAEOKU-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179266;MM179266;C=COC(C#N)=CC#N;SKWRELYPUZMLET-UHFFFAOYSA-N;120.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179267;MM179267;C=COC(C=O)=NN=C;OASFQPSFLUNCSJ-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179268;MM179268;C=CC(=NN=C)ON=C;ARFSEXGMXJKQOU-UHFFFAOYSA-N;125.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179269;MM179269;C#CC=C(C=C)CC=C;LELLLWSVQKNXLW-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179270;MM179270;C#CC=C(C=C)CC=O;OAJXTFWSOSGSSZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179271;MM179271;C#CC=C(C=C)CC#N;YYKKTKXAZTYURQ-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179272;MM179272;C#CC=C(C=O)CC=C;ASQPVHYWXNWKEP-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179273;MM179273;C#CC=C(C#N)CC=C;TWPMOSWSGJCQQC-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179274;MM179274;C#CC=C(C=O)CC=O;LYOHGTWKMWTPDF-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179275;MM179275;C#CC=C(C#N)CC#N;AUNPVABBFFNOBO-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179276;MM179276;C#CC=C(C=C)OC=C;LGQMPUMDLXUOKP-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179277;MM179277;C#CCC(C=C)=CCC;DHWGWUSRPVCVIO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179278;MM179278;C#CCC(C=C)=CCN;FAHKLPZVLYAMAS-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179279;MM179279;C#CCC(C=C)=CCF;FIMXZHXLXVGBJH-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179280;MM179280;C#CCC(C=O)=CCC;QGORHJOXHMAQKX-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179281;MM179281;C#CCC(C#N)=CCC;ROGRDHSGPNZWAD-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179282;MM179282;C#CCC(C=O)=CCO;SYPIXTPLSSNNGZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179283;MM179283;C#CCC(C=O)=CCF;NGCMSKWKCZBVGH-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179284;MM179284;C#CCC(C#N)=CCF;CTUULIWPGQHZCN-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179285;MM179285;CC=CC=CC(=O)NNC;VEAJLGQLSRNTMQ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179286;MM179286;C#CCC(C#N)=COC;VHQKHPXLJPZQBE-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179287;MM179287;C#CCC(C=C)=NOC;LJAYBPSMERJJNK-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179288;MM179288;CON=C(C)C(O)CC#N;GMSUCXWXEGBQJH-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179289;MM179289;C#CCC(C=C)=CC=C;UAGZRPWUYMSWQV-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179290;MM179290;C#CCC(C=C)=CC=O;KJURUQFUQBVXHP-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179291;MM179291;C#CCC(C=C)=CC#N;ZSMJOZZEXBBSGT-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179292;MM179292;C#CCC(C#N)=CC=C;LONJJIANVDDORA-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179293;MM179293;C#CCC(C=O)=CC=O;MARJEMQNFIGFJS-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179294;MM179294;C#CCC(C#N)=CC=O;RUGMJWKRVQBGSR-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179295;MM179295;C#CCC(C#N)=CC#N;HWMGZFTWHITYDT-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179296;MM179296;C#CCC(C=C)=NN=C;IVBUZBVFTIVSSI-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179297;MM179297;C#CC=C(C=C)CC#C;ZNLCWPGRQRGJMU-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179298;MM179298;C#CC=C(C=O)CC#C;QBPIKNZJQADTHV-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179299;MM179299;C#CC(=CCC)CCC;DNKOHHIIRYYKTR-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179300;MM179300;C#CC(=CCN)CCC;DZHTZXWGSDUQGD-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179301;MM179301;C#CC(=CCO)CCC;UEPCWUCOMOFVHX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179302;MM179302;C#CC(=CCF)CCC;GRICXGZQMCKUKV-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179303;MM179303;C#CC(=CCC)CCN;PLVHKTZLPSDGJQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179304;MM179304;C#CC(=CCN)CCN;SKFVLUISKRKQKW-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179305;MM179305;C#CC(=CCO)CCN;HOPRCAPIPCANMN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179306;MM179306;C#CC(=CCC)CCO;GTCCRJDYYAVSGG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179307;MM179307;C#CC(=CCN)CCO;POYAKHRMEQVGPN-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179308;MM179308;C#CC(=CCC)CCF;VPVAIHQKPVJRHR-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179309;MM179309;C#CC(=COC)CCN;JLADBBNQFAQDAP-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179310;MM179310;C#CC(=CCC)COC;DRGXMFBGMRIYSV-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179311;MM179311;C#CC(=CCN)COC;KOMICXNNTJKBQN-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179312;MM179312;C#CC(=COC)COC;UFTJHYMEQBZNEK-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179313;MM179313;C#CC(CCN)=NNC;MXKHOJMRZDOFLJ-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179314;MM179314;CNN=CCC(O)C(C)=O;IMRWYEXKXKFABF-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179315;MM179315;C#CC(CCF)=NNC;DPINPYJLSMCMHD-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179316;MM179316;C#CC(CCC)=NOC;KLZWEQIUJLCIKB-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179317;MM179317;C#CC(CCN)=NOC;AHVZLYVBNXPSFL-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179318;MM179318;C#CC(CCF)=NOC;HKFJDXXOEHUVIA-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179319;MM179319;C#CC(=NCC)NCC;ZXMCMALAKCQMCW-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179320;MM179320;C#CC(=CCN)OCC;DAQUUZOPBYSGAR-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179321;MM179321;C#CC(=CCO)OCC;OXLLPXHMMQDTEZ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179322;MM179322;C#CC(=CCF)OCC;BFEOPOFRUSWQTM-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179323;MM179323;C#CC(=COC)OCC;YLJCSXXEOFGSLP-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179324;MM179324;C#CC(=CC=C)CCC;BRUWRGPGJAXNJP-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179325;MM179325;C#CC(=CC=O)CCC;GEQZDSHSSRULFB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179326;MM179326;C#CC(=CC#N)CCC;GTOKDTAGUGOVDH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179327;MM179327;C#CC(=CC#N)CCO;SAGQKTWEYKEEEW-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179328;MM179328;C#CC(=CC=O)CCF;CFAGJVNRFIQUGY-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179329;MM179329;C#CC(=CC#N)CCF;VPPBLNYJJBMIGT-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179330;MM179330;C#CC(CCN)=NN=C;GEFJMOQILIAOKQ-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179331;MM179331;C#CC(COC)=NN=C;WFIHHQNVEJAHCS-UHFFFAOYSA-N;124.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179332;MM179332;C#CC(O)CN(C=O)NC;XEQVPWZQVHNNJU-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179333;MM179333;C#CC(=CC=C)OCC;YJPXMBBDSXYXLE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179334;MM179334;C#CC(=CC=O)OCC;VDGJVVJJHLUQBW-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179335;MM179335;C#CC(=NN=C)OCC;SLKXTCFVPKDPDF-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179336;MM179336;C#CC=C(C#C)CCC;LVIDFUBZGOAWSO-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179337;MM179337;C#CC=C(C#C)CCN;IFFPNDRFHZYTPT-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179338;MM179338;C#CC=C(C#C)CCO;CTLOUIBXBVISRT-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179339;MM179339;C#CC=C(C#C)CCF;ZCBPTTTXVZHBME-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179340;MM179340;C#CC=C(C#C)COC;XEXBJOXEFOVAEL-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179341;MM179341;C#CC=C(C#C)OCC;LUHKQLCOKPCAIZ-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179342;MM179342;C#CC(=CCC)CC=C;UKKCJMDDIBOYIO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179343;MM179343;C#CC(=CCN)CC=C;OFIZDMQPPNBWTN-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179344;MM179344;C#CC(=CCF)CC=C;PRAGNYSXWDWZNB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179345;MM179345;C#CC(=CCC)CC#N;BURZYGXOCUMYJL-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179346;MM179346;C#CC(=CCF)CC=O;TUFOGSZSFGVBCE-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179347;MM179347;C#CC(=CCC)NC=N;CCTVSFGLUKRLKP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179348;MM179348;C#CC(=CCN)NC=N;PKRKTTCVRZPMQV-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179349;MM179349;C#CC(=CCC)NC=O;XLJRADHPFZUGPO-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179350;MM179350;C#CC(=NCC)NC=C;HMKQOMYYFICGQR-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179351;MM179351;C#CC(=CCN)OC=C;ASARJQVMFXGQQW-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179352;MM179352;C#CC(=CCN)OC=O;SXJPLEVDVAPKBB-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179353;MM179353;C#CC(=COC)OC=O;REJDQYUOSFGZPZ-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179354;MM179354;C#CC(=CC=C)CC=C;ZIOPNSWQGZUCBC-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179355;MM179355;C#CC(=CC=O)CC=C;YQGPKNMUAIWUSK-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179356;MM179356;C#CC(=CC#N)CC=C;UJZAYSSDNLQFHO-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179357;MM179357;C#CC(=CC=C)CC=O;ZWGFSDMMSOZZDX-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179358;MM179358;C#CC(=CC=C)CC#N;SYVLGPVTQLJVIA-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179359;MM179359;C#CC(=CC=O)CC#N;WWRKEYUOTHHDIG-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179360;MM179360;C#CC(=CC#N)CC#N;IBRGKAKGXAMELB-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179361;MM179361;C#CC(CC#N)=NN=C;PLWANTXPHUWUSI-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179362;MM179362;C#CC(=CC=O)NC=N;IMNFPWHWPGXWBW-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179363;MM179363;C#CC(=CC=C)NC=O;GWOVQMUMHYJQEK-UHFFFAOYSA-N;121.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179364;MM179364;C#CC(=CC=O)NC=O;JHLIZPDSLXVVEG-UHFFFAOYSA-N;123.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179365;MM179365;C#CC(O)CNN=CCO;HWPFTEBAISZWRJ-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179366;MM179366;C#CC(=NC=C)NC=O;QNWOCNJGWONGIM-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179367;MM179367;C#CC(=NC=O)NC=O;GJFDJDFGXPIXKZ-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179368;MM179368;CC=NNC1CC1(O)CF;ZMUQOINHUFVSLB-UHFFFAOYSA-N;146.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179369;MM179369;C#CC(=CC=C)OC=C;YOTWGDDEBCNEKT-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179370;MM179370;C#CC(=CC=O)OC=C;CBRMYYMWWDIKGZ-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179371;MM179371;C#CC(=CC#N)OC=C;MYYWQNTYAXBKKK-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179372;MM179372;C#CC(=NN=C)OC=C;MVGUZWXKBDDPJT-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179373;MM179373;C#CC(=NN=C)OC=O;NHXBSINHKYVLPW-UHFFFAOYSA-N;124.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179374;MM179374;C#CC(=NN=C)ON=C;PSRYEDMSOPSIJE-UHFFFAOYSA-N;123.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179375;MM179375;C#CC=C(C#C)OC=C;UIDRQBQLLZONLO-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179376;MM179376;C#CC=C(C#C)OC=O;OFNXVKGPHZEHLL-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179377;MM179377;C#CCC(C#C)=CCC;LFCJSHMRSYAVCL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179378;MM179378;C#CCC(C#C)=CCN;XHYWWFPCQCZTML-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179379;MM179379;C#CCC(C#C)=CCF;YZPMARXMTCKZAJ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179380;MM179380;C#CCC(C#C)=COC;MYNMOXOADABZDD-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179381;MM179381;C#CCC(C#C)=NNC;XQPLFUQSRGFBLZ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179382;MM179382;C#CCC(C#C)=NOC;VJGRKXIEKAZRDE-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179383;MM179383;C#CCC(C#C)=CC=O;YGZUWZUPVNTTLV-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179384;MM179384;C#CCC(C#C)=CC#N;AKSDBEAXAUKRLD-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179385;MM179385;CC=CC(=CCF)CC;SMJBMYCHVYIOHC-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179386;MM179386;NCC(C=CF)=CCO;PVFGQPJVTGVBNF-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179387;MM179387;NCC=C(C=CF)CO;CAUWEMYCTHWYIY-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179388;MM179388;OCC=C(C=CF)CO;RFCZXLTUUACOHO-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179389;MM179389;OCC(C=CF)=CCF;MAWMTVPKWJXGJJ-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179390;MM179390;CC=CC(=CCO)CF;RTNFZCRJWXXXGS-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179391;MM179391;NCC=C(C=CF)CF;KRNBHUAGPDRAFD-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179392;MM179392;OCC=C(C=NO)CO;CAPCBCQAYQKAQV-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179393;MM179393;OCC=C(C=NO)CF;NYEBMSNNTRWUDF-UHFFFAOYSA-N;133.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179394;MM179394;CN=CC(=CNN)CO;KMDUKLWQFNJRNN-UHFFFAOYSA-N;129.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179395;MM179395;CN=CC(=CNN)CF;IQCPZSHYIFYUOD-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179396;MM179396;CN=CC(=CNO)CF;NJVPXNBRTGNDGL-UHFFFAOYSA-N;132.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179397;MM179397;CCC(C=NO)=COC;BHKLKXQOWZBIGH-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179398;MM179398;COC=C(C=NO)CN;UTLMAWBBVOUFDA-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179399;MM179399;COC(C=CF)=CCO;URELOMDMXQIPOZ-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179400;MM179400;CC=CC(=COC)OC;VOJGBUSBTVPPHO-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179401;MM179401;COC=C(C=CF)OC;CETNZBMUSVBTAL-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179402;MM179402;CCC=C(C=NN)OC;JMPFMKRKQPCKAZ-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179403;MM179403;CCC=C(C=NO)OC;DZKHXRXLOUYSRR-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179404;MM179404;CC=CC(CC)=NNC;PJSPLHXUWUWTPN-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179405;MM179405;CC=CC(CF)=NNC;UYCGPFLLYRGCQP-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179406;MM179406;CC=CC(CC)=NOC;VZPBBTSICCWIFK-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179407;MM179407;CON=C(C=CN)CN;GFWCTELRNWYLJB-UHFFFAOYSA-N;129.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179408;MM179408;CON=C(C=CF)CN;WAZWFFLAZOAZPY-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179409;MM179409;C=CC1(O)C(C)C1ON=C;ZUNKEKQDXUZLBJ-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179410;MM179410;CNC(=O)C(C=O)N(C)C;SGDGGYIBHKQETG-UHFFFAOYSA-N;144.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179411;MM179411;CNN=C(C=NO)CO;QGWJIJCIVVWFHQ-UHFFFAOYSA-N;131.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179412;MM179412;N=Cn1oc(=N)n(O)c1=N;KRGGVMFIPYBBNO-UHFFFAOYSA-N;143.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179413;MM179413;CON=C(C=CF)OC;WYYKCKDFJFFSIB-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179414;MM179414;CNN=C(C=NO)OC;KRFCXSLJFXNNRR-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179415;MM179415;N=c1on(C=O)c(=N)n1O;NAZJRUVPOYHSAV-UHFFFAOYSA-N;144.09;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179416;MM179416;C=CC=C(C=CC)CC;IWHLRVFUACLORJ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179417;MM179417;CC=CC(=CC#N)CC;BGGBATADGDAEAO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179418;MM179418;C=CC=C(C=CF)CC;OTAQCGGSYPNECD-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179419;MM179419;CCC(C=CF)=CC#N;ZECQDIJTFPNIBK-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179420;MM179420;C=CC=C(C=CC)CN;LPARJGSZVZLGQF-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179421;MM179421;C=CC=C(C=CF)CN;AUBAFIGSFAMUBW-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179422;MM179422;O=CC=C(C=CF)CO;RPDJGWXDQUVZLB-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179423;MM179423;CC=CC(=CC=O)CF;SLSMWJSPIZLQMH-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179424;MM179424;CC=CC(=CC#N)CF;AENQXWMSWFPRGT-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179425;MM179425;CCC(C=NO)=CC=O;GOGODSIIPKTYCP-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179426;MM179426;CCC(C=NO)=CC#N;TWYDHDDEPVPICM-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179427;MM179427;C=CC=C(C=NO)CN;AJBBTTYMZOQYHV-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179428;MM179428;O=CC=C(C=NO)CO;VNQFBHUYMKNMNL-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179429;MM179429;CNC(C=CF)=CC=O;COKXGFQPYQDQQC-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179430;MM179430;CNC(C=NO)=CC#N;LEDNUECZFOEVQY-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179431;MM179431;COC(C=CF)=CC#N;GUCNBEJLNOBOKD-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179432;MM179432;C=CC=C(C=NN)OC;KGABGTHIUDFRPO-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179433;MM179433;C=CC=C(C=NO)OC;QPRNLHNTBPFEFV-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179434;MM179434;CCC(CC)N(C)NC=O;MMCBSPMHTPUADC-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179435;MM179435;C=NN=C(C=CF)OC;PMBBPIBKIIPGMM-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179436;MM179436;C#CC=C(C=CC)CC;OMARGIZJPOIXKY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179437;MM179437;C#CC=C(C=CF)CC;NNYFELBJNYWNJY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179438;MM179438;C#CC=C(C=CC)CN;IEPZDYRIODFHMD-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179439;MM179439;C#CC=C(C=NN)CF;AVLDYOROOIZXPN-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179440;MM179440;C#CC=C(C=CF)OC;BSECVYUPAWSACR-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179441;MM179441;C=CC(C=CC)=CCC;MXIBAJLBWXIUFK-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179442;MM179442;C=CC(C=CF)=CCO;CUXLZEDQJZWCAO-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179443;MM179443;CC=CC(C#N)=CCF;JIENSCPCZAKFLU-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179444;MM179444;CC=CC(C=O)=CNC;OSKBRCALJXBCDU-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179445;MM179445;CC=CC(C#N)=CNC;DTQSPJXCZQSZLE-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179446;MM179446;C=CC(C=NN)=CCC;XZGJGSYMRBMZNH-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179447;MM179447;C#CCC(O)C(C#C)=NN;DDHWDCGVGPEEDS-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179448;MM179448;C=CC(C=NO)=CCN;KNKYWTHEONSYQZ-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179449;MM179449;CCC=C(C#N)C=NO;RGMGHZGYUQRHDH-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179450;MM179450;C=CC(C=NC)=CNN;FTTGZSAFAGCTOF-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179451;MM179451;C=CC(C=CF)=NNC;QCIXYAIQGNHUSR-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179452;MM179452;C#CCc1nc(NC)n[nH]1;HSTKSGIIESPOOY-UHFFFAOYSA-N;136.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179453;MM179453;C=CC(C=CC)=NOC;TWSLKACEIIGQDR-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179454;MM179454;CON=C(C=O)C=CN;PHMASHVYYFSQON-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179455;MM179455;C=CC=C(C=C)C=CC;MTPUKEKLQZUKFX-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179456;MM179456;C=CC(C=CC)=CC#N;OJGQAJDIHXTQTH-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179457;MM179457;C=CC(C=CF)=CC=O;NBZJAXGYYLNYRF-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179458;MM179458;C=CC(C=CF)=CC#N;IIJBKFNABJKUOC-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179459;MM179459;C=CC=C(C=O)C=CC;HFMWISRQLOWSOF-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179460;MM179460;CC=CC(C#N)=CC=O;LFLAEWSQGAPMPJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179461;MM179461;CC=CC(C=O)=CC#N;HQOQYAUCOXCNQH-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179462;MM179462;N#CC=C(C#N)C=CF;HEBHQBDQBXKFMY-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179463;MM179463;C=CC(C=NO)=CC#N;UNFVPSLNPDPONE-UHFFFAOYSA-N;122.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179464;MM179464;C=CC(C=CN)=NN=C;IDXGQMRFONEXAZ-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179465;MM179465;C=NN=C(C#N)C=CN;SZZKGXJMAWZIAO-UHFFFAOYSA-N;122.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179466;MM179466;C=NN=C(C#N)C=CF;SJPQINUZPQTOOM-UHFFFAOYSA-N;125.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179467;MM179467;NN=CC1=CC(CO)C=C1;BVESQRSNFQQRCK-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179468;MM179468;C#CC=C(C=C)C=CF;ICRFSRLPEPRQRJ-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179469;MM179469;C#CC=C(C#N)C=CC;PBBGWVFEJSXODH-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179470;MM179470;C#CC=C(C#N)C=CF;SWNYKGXVWPUZHK-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179471;MM179471;C#CC=C(C=C)C=NN;OWEQNBIKUQZKFH-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179472;MM179472;C#CC(C=CC)=CCC;LMYDLSVCFUZSFW-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179473;MM179473;C#CC(C=CC)=CCN;QLTZINHXHSQABP-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179474;MM179474;C#CC(C=CC)=CCF;ARGGLNAROUECJI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179475;MM179475;C#CC(C=CF)=CCC;ZMLACCHWRNJKML-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179476;MM179476;C#CC(C=NN)=CCC;LHIBIIVOJOQLHR-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179477;MM179477;C#CC(C=NO)=CCC;OJEYDRRQRPVKOP-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179478;MM179478;C#CC(C=NO)=CCN;YIJIMVRUKWYWFC-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179479;MM179479;C#CC(C=NO)=CCF;XSZQHWGMMKRXCM-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179480;MM179480;C#CC(C=NN)=COC;UVYXXIXSSPUYTA-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179481;MM179481;C#CC(C=NO)=COC;RLSBIPSNSVOMCS-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179482;MM179482;C#CC(C=CC)=NNC;NOARTYFHDMBIQD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179483;MM179483;C#CC(C=CF)=NOC;XHESXRANMMZCII-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179484;MM179484;CN=c1c(=O)n(N)on1O;PXABGVDRRZLWDC-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179485;MM179485;C#CC(C=CC)=CC=C;JAXWHVGJCVCBDE-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179486;MM179486;C#CC(C=CC)=CC#N;BHNLXUGCZWYWDW-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179487;MM179487;C#CC(C=CF)=CC=O;GVWXJWYKJMLOET-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179488;MM179488;C#CC(C=CF)=CC#N;XJQRWXQHMKETOT-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179489;MM179489;C#CC(C=NO)=CC#N;NCOPNDZTFWYMHK-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179490;MM179490;C#CC(C=CN)=NN=C;JLQZUACJJMKTGD-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179491;MM179491;C#CC=C(C#C)C=NN;HMCQECPXCHVBRD-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179492;MM179492;C#CC=C(C#C)C=NO;TZGWGKSANGAFLC-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179493;MM179493;CC#CC(=CCC)CC;GWHOQBPEDYSMRW-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179494;MM179494;CC#CC(=CCN)CC;AHGFEWNVLYQYRO-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179495;MM179495;CC#CC(=CCC)CN;HUXACMHKSIYKBY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179496;MM179496;CC#CC(=CCC)CO;UHYYKSJRUXYQHV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179497;MM179497;CC#CC(=CCF)CO;WLLYRBVKBXLKCC-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179498;MM179498;CC#CC(=CCO)CF;PRBGTKAYFNZRQI-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179499;MM179499;CC#CC(=COC)CC;OJQPZTOVNNXVCK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179500;MM179500;CC#CC(=COC)CN;YMMQBEVQXUWGSJ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179501;MM179501;CC#CC(=COC)CO;GCEDEDPWDWSXJG-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179502;MM179502;CC#CC(=CCN)OC;DFULBLLKRATIQN-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179503;MM179503;CC#CC(=CCO)OC;VPDJCTSKFKUJGO-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179504;MM179504;CC#CC(=COC)OC;DVMMMFGCOLSGKZ-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179505;MM179505;CCn1nnc(=NN)n1O;QRPICUFXZLRWIC-UHFFFAOYSA-N;144.14;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179506;MM179506;C=Cc1n[nH]c(C=C)c1F;BELJSKJILOYYJQ-UHFFFAOYSA-N;138.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179507;MM179507;CC#CC(=NOC)OC;UTHCGPRMRIYTSE-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179508;MM179508;C=CC=C(C#CC)CC;YJGFAEUYPCFLNV-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179509;MM179509;CC#CC(=CC=O)CC;ZQINXIIVEXUHEG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179510;MM179510;CC#CC(=CC#N)CC;WGFMJZSHOGQLBT-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179511;MM179511;C=CC=C(C#CC)CN;GIQFMKMUOOBPPT-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179512;MM179512;C=CC=C(C#CC)CO;KXRVPWJFUIQPAX-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179513;MM179513;CC#CC(=CC#N)NC;JMOYNCMDWJGUBK-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179514;MM179514;C=CC=C(C#CC)OC;GFCJZVYLVXZOQH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179515;MM179515;CC#CC(=CC=O)OC;KPSIXWUCZIAYAK-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179516;MM179516;CC#CC(=CC#N)OC;PTDBKCFTTBLMPF-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179517;MM179517;C=NN=C(C#CC)OC;ZBCXMXUWZNFXHY-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179518;MM179518;C#CC=C(C#CC)CC;ZEIIENCTXWCIQS-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179519;MM179519;C#CC=C(C#CC)CN;NGRZNCAUNDELQF-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179520;MM179520;C#CC=C(C#CC)CO;NJISILGIAUGPIN-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179521;MM179521;C#CC=C(C#CC)OC;BVKWFLSASFOKSM-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179522;MM179522;C=CC(C#CC)=CCC;CVVSKQKZQQNIAN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179523;MM179523;C=CC(C#CC)=CCN;UGCCKIQGEIWUGB-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179524;MM179524;C=CC(C#CC)=CCO;DCKFQELDMICUGE-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179525;MM179525;C=CC(C#CC)=CCF;JGJVJNQCWUZVSG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179526;MM179526;CC#CC(C=O)=CCC;KTMXBECKKPMWQF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179527;MM179527;CC#CC(C#N)=CCC;FUTNURIVTQZXHR-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179528;MM179528;CC#CC(C#N)=CCF;AQBCCNVPWNZQPC-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179529;MM179529;CC#CC(C=O)=CNC;ZRBDUGGVLISJQB-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179530;MM179530;CC#CC(C#N)=CNC;VZKUVRNSCSYKJR-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179531;MM179531;C=CC(C#CC)=COC;QSBMXJIERMAMNT-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179532;MM179532;CC#CC(C=O)=COC;YSULBYRWXBBSQD-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179533;MM179533;CC#CC(C#N)=COC;CSKFGEXCYRCXGS-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179534;MM179534;C=CC(C#CC)=NNC;OKMKFXJAZMRNCB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179535;MM179535;C#CC(O)CNN=C;XQPBTYACORPMOW-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179536;MM179536;C=CC(C#CC)=NOC;JCTRLOVGGGHMNJ-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179537;MM179537;CC#CC(C#N)=NOC;IIGKQVSZWZRKAP-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179538;MM179538;C=CC=C(C#CC)C=C;BLSLODRJIJNGQP-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179539;MM179539;C=CC(C#CC)=CC=O;CCTIMCWNGLLSAP-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179540;MM179540;C=CC(C#CC)=CC#N;SPGPUYMWYMFVPK-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179541;MM179541;C=CC=C(C#CC)C=O;ZIEMMPFQLQFHEC-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179542;MM179542;CC#CC(C=O)=CC=O;YUONCJWVTAWSMC-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179543;MM179543;CC#CC(C=O)=CC#N;RENGKCDMZQQBMF-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179544;MM179544;CC#CC(C#N)=CC#N;GUZREALSTAUZBW-UHFFFAOYSA-N;116.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179545;MM179545;C=CC(C#CC)=NN=C;DYJWVTTZAGTORY-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179546;MM179546;C=NN=C(C#N)C#CC;ZVVKFIZHMFSSRO-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179547;MM179547;C#CC=C(C#CC)C=C;QBHOFGDKLWPTSQ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179548;MM179548;C#CC=C(C#CC)C=O;PZCBEOVMBRMZQP-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179549;MM179549;C#CC(C#CC)=CCC;MYRRBSLQLIPLFY-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179550;MM179550;C#CC(C#CC)=CCN;GDIAWXIUVFOVMY-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179551;MM179551;C#CC(C#CC)=CCF;TVDJLRWNIDYDOT-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179552;MM179552;C#CC(C#CC)=COC;YVQUWMUJBXPBMK-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179553;MM179553;C#CC(C#CC)=NNC;HGMGQJAIOOVHAI-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179554;MM179554;C#CC(C#CC)=NOC;WYKXLRLZCRQDDW-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179555;MM179555;C#CC(C#CC)=CC=O;YEFTXTUTSHGURW-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179556;MM179556;C#CC(C#CC)=CC#N;BXFUMAMCUOHEQZ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179557;MM179557;C#CC(C#CC)=NN=C;PPEPLVBOMSUQKK-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179558;MM179558;CCCC(CN)C(C)C;AHVXMQBOMUJBOW-UHFFFAOYSA-N;129.25;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179559;MM179559;CC(C)C(CN)CCF;RUKFHWISOCKBLS-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179560;MM179560;CC(C)C(CF)CCF;QOGBYRBERPHDJQ-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179561;MM179561;CCC(CCO)C(C)N;CAOYRUIMYIDDFP-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179562;MM179562;CCC(CCF)C(C)N;ISPJBVCAPZLDCI-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179563;MM179563;CCCC(CF)C(C)N;RDIWSAJCIYIMKG-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179564;MM179564;CCC(CCN)C(C)O;JNPZOGXRQBEIHR-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179565;MM179565;CCCC(CN)C(C)O;NSDNPCSORSHNPT-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179566;MM179566;CCCC(CF)C(C)O;WRDWJGGAGSIHSG-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179567;MM179567;CC(O)C(CF)CCF;BHTXZTLMPSWODJ-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179568;MM179568;CCC(CCN)C(C)F;WDTXLXNYIGOVND-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179569;MM179569;CCC(CCO)C(C)F;DILQIXSUPXLRHM-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179570;MM179570;CCC(CCF)C(C)F;QSPXSQQGFHZEED-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179571;MM179571;CCCC(CN)C(C)F;KPRCEURKMCUUAR-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179572;MM179572;CC(F)C(CN)CCN;PQGZEUPNZKICCU-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179573;MM179573;CC(F)C(CN)CCO;HZIOXLYLFCTBOR-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179574;MM179574;CCCC(CF)C(C)F;NUJFJRXJDPSMRO-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179575;MM179575;CC(F)C(CF)CCO;WWTMYUKOGAEIOV-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179576;MM179576;CC(F)C(CF)CCF;PYEAUWUTFPXYTP-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179577;MM179577;CCCC(CN)C(F)F;XDRLKKSWXAVOJS-UHFFFAOYSA-N;137.17;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179578;MM179578;NCC(CCO)C(F)F;DKVNZHYPEOLOCK-UHFFFAOYSA-N;139.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179579;MM179579;NCCC(CO)C(F)F;NNFVLTZJMCGWNO-UHFFFAOYSA-N;139.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179580;MM179580;FCCC(CF)C(F)F;JIPIEBBMNQLYCL-UHFFFAOYSA-N;144.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179581;MM179581;CCC(CNC)C(C)C;BTWYLUZHBGEPDV-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179582;MM179582;CNCC(CF)C(C)C;HYIRDIQAOWIYLZ-UHFFFAOYSA-N;133.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179583;MM179583;CCC(CNC)C(C)O;DAADYKJMPLQORN-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179584;MM179584;CNCC(CO)C(C)O;CRHATJKBLGDOAO-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179585;MM179585;CCC(CNC)C(C)F;OCCLRLVMILMOGL-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179586;MM179586;CNCC(CN)C(C)F;VJSOZFQATRKGON-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179587;MM179587;CNCC(CO)C(F)F;GCECNUTZJXPPIT-UHFFFAOYSA-N;139.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179588;MM179588;COCC(CN)C(C)C;IACDOONJJDUBBZ-UHFFFAOYSA-N;131.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179589;MM179589;COCC(CO)C(C)C;DLZSAVFSIWBIPU-UHFFFAOYSA-N;132.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179590;MM179590;COCC(CF)C(C)C;BLPXQXXJPNCJKW-UHFFFAOYSA-N;134.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179591;MM179591;COCC(CF)C(C)N;BHOBCRCNOAMDAQ-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179592;MM179592;COCC(CN)C(C)O;JDVQOWHXTLZRSH-UHFFFAOYSA-N;133.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179593;MM179593;COCC(CO)C(C)O;AIQJDOXFKWAUCK-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179594;MM179594;COCC(CF)C(C)F;KTLVAPJANPSYOO-UHFFFAOYSA-N;138.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179595;MM179595;COCC(CN)C(F)F;ZWUSWTJIZPSGTN-UHFFFAOYSA-N;139.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179596;MM179596;CCCC(NC)C(C)C;FXFBQEQUERNSRG-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179597;MM179597;CNC(CCF)C(C)C;FTROMFGXNFPFTH-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179598;MM179598;CCCC(NC)C(C)O;QEWYFTVLTWFCBL-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179599;MM179599;CCCC(NC)C(C)F;CGJALFMGKFZVSU-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179600;MM179600;CNC(CCN)C(C)F;FMKFJPAEGVDAIX-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179601;MM179601;CNCC(NC)C(C)F;FNHAXPTZEPQSBZ-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179602;MM179602;COC(CCN)C(C)C;JZIIKDGBZTVLAA-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179603;MM179603;COC(CCO)C(C)C;OTGRZAQGEOYOQK-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179604;MM179604;COC(CCF)C(C)C;QEDVNCXSHFFWCK-UHFFFAOYSA-N;134.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179605;MM179605;COC(CCO)C(C)N;NBESOBMKEIONKJ-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179606;MM179606;COC(CCN)C(C)O;BRFWBZPNOWZHNM-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179607;MM179607;COC(CCO)C(C)O;PANFBUAONDNZHE-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179608;MM179608;COC(CCN)C(C)F;DEWGODRPRKUOPT-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179609;MM179609;COC(CCO)C(F)F;XSVJKPRZLCOTBF-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179610;MM179610;CNCC(OC)C(C)N;FNKJBWKGRMAYAI-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179611;MM179611;CNCC(OC)C(C)O;CDKVJDFLHDWCJR-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179612;MM179612;CNCC(OC)C(F)F;KUGZYWGVYKVZQU-UHFFFAOYSA-N;139.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179613;MM179613;CCNC(CC)C(C)C;VVENKBZYPINLSL-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179614;MM179614;CCNC(CO)C(C)C;JWEMXEJYVXFEKF-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179615;MM179615;CCNC(CF)C(C)C;FVUMAKSOKQHSKH-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179616;MM179616;CCNC(CC)C(C)N;GNNTXUAAPQDHRG-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179617;MM179617;CCNC(CO)C(C)N;IIJPLDMJYBCLFF-UHFFFAOYSA-N;132.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179618;MM179618;CCNC(CC)C(C)O;CALZYSFANFLYBC-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179619;MM179619;CCNC(CO)C(C)O;FQWAAWYTIYXSEG-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179620;MM179620;CCNC(CF)C(F)F;HJBBUBNAGNHOKD-UHFFFAOYSA-N;141.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179621;MM179621;CCOC(CO)C(F)F;BPDPXDBJOSBIFD-UHFFFAOYSA-N;140.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179622;MM179622;CCOC(OC)C(C)F;FJPYEAFTKBFCRV-UHFFFAOYSA-N;136.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179623;MM179623;CCOC(OC)C(F)F;YDSWJBDDKHUZCL-UHFFFAOYSA-N;140.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179624;MM179624;CCC(CCO)N(C)C;GDFSCJGDIVDFJX-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179625;MM179625;CCCC(CN)N(C)C;PLHKKHOLOZDWIB-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179626;MM179626;CN(C)C(CN)CCN;UNYMMHPGJMGGDJ-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179627;MM179627;CCC(CNC)N(C)C;MKXFMXROSGNKMZ-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179628;MM179628;CNCC(CO)N(C)C;GGHWIJNNLIHMGU-UHFFFAOYSA-N;132.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179629;MM179629;CNCC(CF)N(C)C;RUADTHZGCWHFHT-UHFFFAOYSA-N;134.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179630;MM179630;CCCN(CC)C(C)C;YYDHPKGSIYLSSC-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179631;MM179631;CCN(CCN)C(C)C;QWUJQUJVQRKKNP-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179632;MM179632;CCN(CCO)C(C)C;OKRCCMFEBPRZQH-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179633;MM179633;CCN(CCF)C(C)C;BYVPKIGGEXLJPI-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179634;MM179634;C=CCC(CN)C(C)C;GUEAWZUPBFTKJW-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179635;MM179635;COc1cc(N)n[nH]1;DSFUCCQCXNNWLA-UHFFFAOYSA-N;113.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179636;MM179636;CC(C)C(CF)CC=O;KQPYOLYSAGVACR-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179637;MM179637;C=CCC(CF)C(C)O;KRFAMSPESYINOR-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179638;MM179638;CC(O)C(CF)CC=O;HYYCJIVFQDEBBB-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179639;MM179639;CC(F)C(CF)CC=O;NEMJGFZSQDTVJC-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179640;MM179640;C=CCC(CN)C(F)F;IKSMHRKHZZFHBI-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179641;MM179641;C=CCC(CF)C(F)F;XIFRRDIDFNNUGD-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179642;MM179642;C=CCC(NC)C(C)C;PQVZYQQUODBGFW-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179643;MM179643;CNC(CC=O)C(C)C;ZCMIJOPEPNOMIX-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179644;MM179644;C=CCC(NC)C(C)N;SHUHTYPZDBGMHH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179645;MM179645;C=CCC(NC)C(C)F;XPTDDFDWVJPVFO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179646;MM179646;COC(CC#N)C(C)O;QIFNSQANCVQPJZ-UHFFFAOYSA-N;129.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179647;MM179647;COC(CC=O)C(C)F;VHYCQAMNWIVGDX-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179648;MM179648;COC(CC#N)C(F)F;KPFKWHGSZLLUIS-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179649;MM179649;CC(C)C(CN)NC=N;ZVKYRBXVGBEVCD-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179650;MM179650;CC(C)C(CO)NC=O;BYGBKEBPLVWZPL-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179651;MM179651;CCC(NC=O)C(C)N;UHFBWEFGINFMSB-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179652;MM179652;CCC(NC=N)C(C)O;QJTKQXSWYMLEPZ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179653;MM179653;CCC(NC=O)C(C)O;NZALMEDXAWVUSG-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179654;MM179654;N=CNC(CN)C(F)F;NJYONXXEXMALGN-UHFFFAOYSA-N;137.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179655;MM179655;NCC(NC=O)C(F)F;HQNKJJAVVNWNBX-UHFFFAOYSA-N;138.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179656;MM179656;N=CNC(CO)C(F)F;MGYLDYXURUGRRZ-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179657;MM179657;C=NNC(CC)C(C)C;CGBQGPYGKDZFMB-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179658;MM179658;C=NNC(CF)C(C)C;KNRXBTGIDVTCTN-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179659;MM179659;CC=CC(C)NNC=O;WKMHXZDLQVRFPG-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179660;MM179660;C=COC(CN)C(C)C;NMMZZETZOVXGPT-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179661;MM179661;C=COC(CO)C(C)N;GMRCMBHMHUUFSI-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179662;MM179662;CC(F)C(CN)OC=O;UVMLNUNJSGWWSG-UHFFFAOYSA-N;135.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179663;MM179663;CC(F)C(CF)OC=O;KHFKGOMBCMCTFD-UHFFFAOYSA-N;138.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179664;MM179664;C=COC(CO)C(F)F;SNKQPGVHPWTRTB-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179665;MM179665;C=NOC(CN)C(C)C;DHXSLMJTJQQPEH-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179666;MM179666;CCC(O)C(=O)C(=N)N;WDUVJISFRYUTKQ-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179667;MM179667;C=NOC(CF)C(C)C;OIDSYBTYVDTYNC-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179668;MM179668;C=CC(=O)NNCCC;QNTWKNTYCJHLGD-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179669;MM179669;COC(OC=O)C(C)C;RTCXIVAEVAGEEQ-UHFFFAOYSA-N;132.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179670;MM179670;COC(OC=O)C(C)O;BAIWUUBGIALYTJ-UHFFFAOYSA-N;134.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179671;MM179671;C=COC(OC)C(C)F;SLWRMPHBRKZQHP-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179672;MM179672;C=COC(OC)C(F)F;LZSPMRCXBDKXJY-UHFFFAOYSA-N;138.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179673;MM179673;COC(OC=O)C(F)F;VDKBYWXOBFRAAZ-UHFFFAOYSA-N;140.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179674;MM179674;C=CCC(CN)N(C)C;PWECKLHAZBQROE-UHFFFAOYSA-N;128.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179675;MM179675;CCN(NC=N)C(C)C;QSTZIUFCYOPKRR-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179676;MM179676;C#CCC(CN)C(C)C;UAJFUPGTFLURDE-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179677;MM179677;C#CCC(CF)C(C)N;IHNIXWYTYLVYNA-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179678;MM179678;C#CCC(CO)C(C)O;RPYDPCKNAZEKCN-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179679;MM179679;C#CCC(CF)C(C)O;VLXGYJKFBPLBRE-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179680;MM179680;C#CCC(CO)C(F)F;MARWHFABBGJXPZ-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179681;MM179681;C#CCC(NC)C(C)C;VAHLPJTVUZVUCS-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179682;MM179682;C#CCC(OC)C(C)O;LRIVYPUPEPDSAQ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179683;MM179683;C=CC(CCN)C(C)C;WLFUQZMGMXOANX-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179684;MM179684;C#CC(O)CNN=CC;WIBAEBJHIGTVOG-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179685;MM179685;C=CC(CCF)C(C)C;VPESWWXZVQSKDX-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179686;MM179686;CCCC(C=O)C(C)C;KBCJIUFFVMPKHR-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179687;MM179687;CCCC(C#N)C(C)C;SEMAIQRIDIHYEZ-UHFFFAOYSA-N;125.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179688;MM179688;CC(C)C(C=O)CCO;UJOCSBPDMAOBFL-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179689;MM179689;CC(C)C(C#N)CCO;PLVAATDLQKGDTH-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179690;MM179690;C=CC(CCC)C(C)N;GEHBXQDYWPIGFO-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179691;MM179691;C=CC(CCN)C(C)N;OABLDZFOBOMSCN-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179692;MM179692;NN=CCNC(=O)CO;XQVQUJIAHNPOCU-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179693;MM179693;C=CC(CCF)C(C)O;PTBZTUQONXZIAH-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179694;MM179694;CCCC(C=O)C(C)O;UAUPXQDESMKJRA-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179695;MM179695;C=CC(CCN)C(C)F;XKOWIFMKJFVIDO-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179696;MM179696;C=CC(CCF)C(C)F;NRAHPKQGBQYDIF-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179697;MM179697;C=CC(CCC)C(F)F;LHYOQHIQWJBVLV-UHFFFAOYSA-N;134.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179698;MM179698;C=CC(CCN)C(F)F;CHTMTLPXJAXNGB-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179699;MM179699;C=CC(CCO)C(F)F;WWZGDNAIXARRMN-UHFFFAOYSA-N;136.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179700;MM179700;C=CC(CCF)C(F)F;LPWYQHBFHGKCBD-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179701;MM179701;N#CC(CCO)C(F)F;VWVYVIFIBPLYKJ-UHFFFAOYSA-N;135.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179702;MM179702;C=CC(CNC)C(C)C;ZODFBQPTYKEPDS-UHFFFAOYSA-N;127.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179703;MM179703;CNCC(C=O)C(C)C;RUZJATVWSSEUPC-UHFFFAOYSA-N;129.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179704;MM179704;CNCC(C=O)C(C)F;UXPRZGGXYALOAM-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179705;MM179705;C=CC(CNC)C(F)F;XONYLTZUYDJUKN-UHFFFAOYSA-N;135.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179706;MM179706;COCC(C=O)C(C)C;HEBIDMRWFXZSTK-UHFFFAOYSA-N;130.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179707;MM179707;COCC(C=O)C(C)O;BEXBRUUATOFQGW-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179708;MM179708;C=CC(COC)C(F)F;SOPIOOLQLPGQEA-UHFFFAOYSA-N;136.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179709;MM179709;COCC(C=O)C(F)F;YTQQHILCIYUHGQ-UHFFFAOYSA-N;138.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179710;MM179710;COCC(C#N)C(F)F;VSJPBFLYTBHVBB-UHFFFAOYSA-N;135.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179711;MM179711;C=CC(NCC)C(C)C;SKFKYJQTMFRPRN-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179712;MM179712;CCNC(C=O)C(C)C;DUIZTLFVTYJRIU-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179713;MM179713;C=CC(NCC)C(C)N;PBLJVZOUKXVAMF-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179714;MM179714;C=CC(NCC)C(C)F;VXSOEWJPHAWNOD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179715;MM179715;C=C(C=CC)C(=O)NN;WYZUCYURNIOTDX-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179716;MM179716;CCOC(C=O)C(C)O;FEEGFKYPCAUOEW-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179717;MM179717;CCOC(C#N)C(F)F;IJPHMNMFFSLGDL-UHFFFAOYSA-N;135.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179718;MM179718;Cn1oc(=N)n(O)c1=N;HUERXEKZUOJZHF-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179719;MM179719;CNCC(C=O)N(C)C;UBTCDRLCCOYVLE-UHFFFAOYSA-N;130.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179720;MM179720;CCCN(C=N)C(C)C;HLDBGIMPOLOHEA-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179721;MM179721;CC(C)N(C=N)CCN;WOOBILFJQBDUBD-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179722;MM179722;CC(C)N(C=N)CCF;UIILIOWINCYEBD-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179723;MM179723;CCCN(C=O)C(C)C;GZIQVZTXWMBKFW-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179724;MM179724;C=NN(CCC)C(C)C;MLXSPKDEHGAZQG-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179725;MM179725;CCCN(C=N)N(C)C;QYULJDXWHPVGLO-UHFFFAOYSA-N;129.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179726;MM179726;CN(C)N(C=N)CCF;WLZFHHQDPMUQAR-UHFFFAOYSA-N;133.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179727;MM179727;CN(C)N(C=O)CCF;CAZJDJDRMHRFNF-UHFFFAOYSA-N;134.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179728;MM179728;C=CC(CC=O)C(C)C;PWVPHUZIOOCWBB-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179729;MM179729;C=CC(CC#N)C(C)C;MKRNZFCLKKGWKR-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179730;MM179730;C=CCC(C=O)C(C)C;UCENWOFPTQSUNH-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179731;MM179731;CC(C)C(C=O)CC#N;MBMRHRPULHWVDZ-UHFFFAOYSA-N;125.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179732;MM179732;CC(C)C(C#N)CC=O;DXLNPIGCIOXVPB-UHFFFAOYSA-N;125.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179733;MM179733;CC(C)C(C#N)CC#N;QZPWDZBGUWBAOQ-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179734;MM179734;C=CCC(C=C)C(C)N;SDSNJBPNOBPAJF-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179735;MM179735;N#CC1NC(C=O)C1O;RAACJBCRPNVQBW-UHFFFAOYSA-N;126.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179736;MM179736;C=CC(CC#N)C(C)O;SYABNZBMTKUQOG-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179737;MM179737;C=CCC(C=C)C(C)F;ONRSFJCTZYMQQE-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179738;MM179738;C=CC(CC=O)C(C)F;JDONWLDAYAGMLJ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179739;MM179739;C=CCC(C=O)C(C)F;HSQXEVGJZZRTMM-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179740;MM179740;CC(F)C(C=O)CC=O;IXXTYJZSFOLQHP-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179741;MM179741;CC(F)C(C#N)CC=O;WTELZYFYELYNQV-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179742;MM179742;C=CCC(C=C)C(F)F;BLZKVGKMPZTAKR-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179743;MM179743;C=CC(CC=O)C(F)F;TXOQRSQOLCMHAY-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179744;MM179744;C=CCC(C=O)C(F)F;MLFJZQGQRZQFPO-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179745;MM179745;C=CC(NC=N)C(C)C;UMYHKMNJHFDSEX-UHFFFAOYSA-N;126.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179746;MM179746;CC(C)C(C=O)NC=O;STLQKHGQPHPFBQ-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179747;MM179747;C=CC(NC=O)C(C)O;LYZUGQRMQHNWQZ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179748;MM179748;CC(O)C(C#N)NC=N;KXWNJPLTYUJYRB-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179749;MM179749;CC(O)C(C#N)NC=O;SPOQRLSWSGZJKU-UHFFFAOYSA-N;128.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179750;MM179750;C=CC(NC=N)C(F)F;ZKSOJXGFPHECMC-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179751;MM179751;C=CC(NC=O)C(F)F;URYNMPBFJIKZEA-UHFFFAOYSA-N;135.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179752;MM179752;CC(C)C(C=O)OC=O;UFSFLQJBWVOKMQ-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179753;MM179753;CC(C)C(C#N)OC=O;DOWAQUZLXAAQGS-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179754;MM179754;CC(O)C(C=O)OC=O;GUTNMKMSRWCSTL-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179755;MM179755;CC(O)C(C#N)OC=O;NJBADQNELLFBFV-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179756;MM179756;C=COC(C#N)C(F)F;ILDNSCFUGUEHEE-UHFFFAOYSA-N;133.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179757;MM179757;C=CC(CC)C(=O)NN;STJJKWTVZCIEAI-UHFFFAOYSA-N;128.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179758;MM179758;C=CC(CC)NNC=O;GSFAHXQLGPVPNJ-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179759;MM179759;C=NOC(C#N)C(F)F;NWSIOPUKIUGSRP-UHFFFAOYSA-N;134.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179760;MM179760;C=CCN(C=N)C(C)C;MNWFIBWCWIADNK-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179761;MM179761;C=CCN(N=C)C(C)C;FMTLBSQFZDXDRI-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179762;MM179762;C#CCC(C=O)C(C)C;DCLXQTDMLSLMEJ-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179763;MM179763;C#CCC(C=C)C(C)N;VZAQDMMQQILPHU-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179764;MM179764;C#CCC(C=O)C(C)O;QCXUXYVCZHDVAT-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179765;MM179765;C#CCC(C#N)C(C)O;RXQXXXOSOFMMDL-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179766;MM179766;C#CCC(C=O)C(F)F;NXQWYFOOARAKLT-UHFFFAOYSA-N;132.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179767;MM179767;C#CCN(C=N)C(C)C;VLBOIUZXPTUVCR-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179768;MM179768;C#CC(CCN)C(C)C;HZLUTMQOZSMVTR-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179769;MM179769;CCNNC(=O)CC(C)C;KBYVGMIDYKBQKH-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179770;MM179770;C#CC(CCF)C(C)C;AJADBKXKNISKKD-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179771;MM179771;C#CC(CCF)C(C)N;CIWRYNTUIFNSPS-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179772;MM179772;C#CC(CCN)C(F)F;OGZNDPRVJFUABZ-UHFFFAOYSA-N;133.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179773;MM179773;C#CC(CCO)C(F)F;IRRJBWOFAOPLTK-UHFFFAOYSA-N;134.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179774;MM179774;C#CC(COC)C(C)N;WSTDHVROLRICAM-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179775;MM179775;C#CC(NCC)C(C)C;HBLIHUGZBOILQR-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179776;MM179776;C#CC(CC=C)C(C)N;KTNFGOKWLWZJIE-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179777;MM179777;C#CC(CC#N)C(C)O;HTEWYYAKINCNLK-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179778;MM179778;C#CC(CC=O)C(F)F;ASKFANUYHFZNIG-UHFFFAOYSA-N;132.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179779;MM179779;C#CC(NC=N)C(C)C;FADCDDZFWAMMLK-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179780;MM179780;C#CC(NC=O)C(C)N;PHHFILULGSUWOG-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179781;MM179781;CCCC(C)NNC(C)=O;MIJLAJAPKWLMIP-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179782;MM179782;C#CC(ON=C)C(F)F;DMSRQQRBDFWOTP-UHFFFAOYSA-N;133.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179783;MM179783;C#CC(CC=C)N(C)C;LKSLKBCWFQQHQM-UHFFFAOYSA-N;123.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179784;MM179784;C=C(C)C(CF)CCN;PVIMSEXTKPIBOU-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179785;MM179785;C=C(C)C(CF)CCO;REUBEZVAODLOSC-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179786;MM179786;CC(=O)C(CO)CCO;WXHAGPHIYZRCOE-UHFFFAOYSA-N;132.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179787;MM179787;CC(=O)C(CF)CCF;QDQAZOIMWJXHSR-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179788;MM179788;CCC(CCN)C(=N)N;OISLPOPHMRJPTJ-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179789;MM179789;CCCC(CN)C(=N)N;QXNOEOWGWFGVFU-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179790;MM179790;CCCC(CF)C(=N)N;YXFVQDRUFZBJPF-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179791;MM179791;N=C(N)C(CF)CCF;UHFWFSLMRWVQSH-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179792;MM179792;CCC(=O)NNCC(C)C;FARKMMKZJYJVQY-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179793;MM179793;CCC(CCN)C(N)=O;IJCUEWMFXBCPLM-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179794;MM179794;CCC(CCO)C(N)=O;WISAIFKQWMPYDJ-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179795;MM179795;C#CC(O)CNN=C(C)C;IUZMTPSKRTUASI-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179796;MM179796;NCC(CCF)C(N)=O;DGGXOUKFRFGSFG-UHFFFAOYSA-N;134.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179797;MM179797;NC(=O)C(CO)CCO;BSQBRAMKMDQURQ-UHFFFAOYSA-N;133.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179798;MM179798;CCCC(CF)C(N)=O;HABZVWYTOWEBCY-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179799;MM179799;NC(=O)C(CF)CCF;LONJSVMXABCRLX-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179800;MM179800;CCCC(CF)C(=O)O;CSLFVAZREFVUKF-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179801;MM179801;C=C(F)C(CN)CCC;QAVZMMREUKFEQL-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179802;MM179802;C=C(F)C(CN)CCF;DBZOQGVYXPQKFT-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179803;MM179803;C=C(F)C(CF)CCF;PEGKPYWHTKSPAL-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179804;MM179804;C=C(C)C(CN)CNC;LBSXYOMBADRKAQ-UHFFFAOYSA-N;128.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179805;MM179805;C=C(C)C(CF)CNC;RISZOHALJQAZFG-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179806;MM179806;CNCC(CO)C(C)=O;IQXFXOGLGKBCGF-UHFFFAOYSA-N;131.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179807;MM179807;CCC(CNC)C(=N)N;ZKNWZZOBFYOQJY-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179808;MM179808;CCC(CNC)C(N)=O;PYUZREXOSRSHNN-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179809;MM179809;C=C(F)C(CF)CNC;YVPLNDZVNUWQHS-UHFFFAOYSA-N;135.16;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179810;MM179810;COCC(CO)C(C)=O;LIXNMRYSBVPURK-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179811;MM179811;COCC(CO)C(=N)N;ZXOIGWNERJRCDQ-UHFFFAOYSA-N;132.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179812;MM179812;COCC(CO)C(N)=O;CXWXZPLBIKSCOY-UHFFFAOYSA-N;133.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179813;MM179813;C=C(C)C(CCC)NC;CADAMASAKPIATO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179814;MM179814;CNCC(NC)C(C)=O;PHILYALDEQJFMR-UHFFFAOYSA-N;130.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179815;MM179815;CNCC(NC)C(=N)N;IKXLNDQCIULITC-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179816;MM179816;CNCC(NC)C(N)=O;FDOZUOMLIGJHPL-UHFFFAOYSA-N;131.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179817;MM179817;CNC(COC)C(=N)N;KHVXZRDPURAOEL-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179818;MM179818;C=C(C)C(CCN)OC;JDCLBONDUDKCQB-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179819;MM179819;C=C(C)C(CCO)OC;KMLTVXRGODZBGB-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179820;MM179820;CCCC(OC)C(C)=O;FGXRSVNDISOKQZ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179821;MM179821;CCCC(OC)C(=N)N;JQWAWDQKZGXUGX-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179822;MM179822;COC(CCO)C(=N)N;PMWKTPPBPGVBBQ-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179823;MM179823;COC(CCO)C(N)=O;OHMUBDWSIGOJJX-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179824;MM179824;CNCC(OC)C(=N)N;OCTARLFBVOJGFN-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179825;MM179825;CNCC(OC)C(N)=O;UDZVJDPWQBJGEI-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179826;MM179826;COCC(OC)C(=N)N;UBZVQIGQEZWMQO-UHFFFAOYSA-N;132.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179827;MM179827;C=C(C)C(CN)NCC;LIONRKOYLLLHMB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179828;MM179828;C=C(C)C(CF)NCC;GCDULQQLLZLCGP-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179829;MM179829;CCNC(CC)C(C)=O;DIFFZSCJUWZREX-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179830;MM179830;CCNC(CO)C(=N)N;GJNWDEVTBBNSLU-UHFFFAOYSA-N;131.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179831;MM179831;CCOC(CC)C(=N)N;VSURPPVDFZENDQ-UHFFFAOYSA-N;130.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179832;MM179832;CCOC(CF)C(=N)N;XCBGVTMIUBBOLQ-UHFFFAOYSA-N;134.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179833;MM179833;C#Cc1cc(O)n(N)n1;UNRCQLAPSKTGOM-UHFFFAOYSA-N;123.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179834;MM179834;C=C(F)C(CO)OCC;DVWULCJACBTSTO-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179835;MM179835;Cc1nn(C)cc1O;XVUBEOHZTPQLCM-UHFFFAOYSA-N;112.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179836;MM179836;C=C(F)C(OC)OCC;GFAVAYHVAUEMEK-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179837;MM179837;CCCN(CC)C(C)=N;LFZJJMHWHSWBEZ-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179838;MM179838;CCN(CCN)C(C)=N;HBABNAUJBMCPNW-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179839;MM179839;CCN(CCF)C(C)=N;KMIHDFJRKINTCU-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179840;MM179840;CCN(CCN)C(C)=O;HGSKWEFIEPPMAC-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179841;MM179841;CCN(CCF)C(C)=O;XDFLJHQJOGCYCI-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179842;MM179842;CCCN(CC)C(=N)N;JQYCROVUYTUTKM-UHFFFAOYSA-N;129.21;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179843;MM179843;CCCN(NC)C(C)=N;FIDYTQCSBCKIOF-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179844;MM179844;CNN(CCF)C(C)=N;LNLGGORFGQXUQM-UHFFFAOYSA-N;133.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179845;MM179845;CNN(CCO)C(=N)N;HRRZGIALDJATPC-UHFFFAOYSA-N;132.17;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179846;MM179846;C=NOC(=O)NC(C)CO;TXYZJHPRAYPIBU-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179847;MM179847;CC=CC(N)=CC(=O)NN;JJWMEYICDSPNIA-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179848;MM179848;CCCC(C)N(C)NC=O;PIEJLUMQPIOCQE-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179849;MM179849;CON(CCN)C(C)=O;CGBNFVWPCBNLOU-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179850;MM179850;CON(CCN)C(=N)N;ZGGYVEYLZGHUGP-UHFFFAOYSA-N;132.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179851;MM179851;CON(CCO)C(=N)N;HAJDOTUODMMHPG-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179852;MM179852;CCNN(CC)C(C)=O;HTSIZZMUZWMOKS-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179853;MM179853;CCON(CC)C(C)=O;COONPVNUJOPTRY-UHFFFAOYSA-N;131.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179854;MM179854;C=C(C)C(CC)CC=O;SKIWEOLPUIYUTK-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179855;MM179855;C=C(C)C(CF)CC=O;DGMKIOKCYPJSLU-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179856;MM179856;CCC(CC#N)C(C)=O;YOYLYTMQTIUJSS-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179857;MM179857;CC(=O)C(CO)CC=O;JGHPNZFTVGSLKF-UHFFFAOYSA-N;130.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179858;MM179858;C=CCC(CF)C(C)=O;FMDFXSQVGOUEPM-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179859;MM179859;C=CCC(CC)C(=N)N;PSPOIYVNFROULV-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179860;MM179860;N#CCC(CO)C(=N)N;BKDMPRQRLYBTFN-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179861;MM179861;N#CCC(CF)C(=N)N;OQPGUDYFXURLJC-UHFFFAOYSA-N;129.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179862;MM179862;CC(O)C(O)C(N)=CC#N;HZFZXSOECCCVAU-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179863;MM179863;CCC(CC=O)C(N)=O;DHKNNNNJRMIUME-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179864;MM179864;C=CCC(CN)C(N)=O;BZGNARITKUHQNN-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179865;MM179865;N#CCC(CO)C(N)=O;KIYMVPCIPXEQDB-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179866;MM179866;Nn1c(=O)oc(=O)n1O;MDJFRLRLKNJITM-UHFFFAOYSA-N;133.06;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179867;MM179867;C=CCC(CF)C(=O)O;UKUHDZVXLDBKGV-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179868;MM179868;C=C(F)C(CC)CC=O;XDLCSZYWOSWDEF-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179869;MM179869;C=CCC(CN)C(=C)F;QLASHKCFFZHHOT-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179870;MM179870;C=C(F)C(CF)CC=O;GDZZHIGIMPPXTR-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179871;MM179871;C=CCC(NC)C(=C)C;SVKUMAQXIKNPHR-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179872;MM179872;C=C(C)C(CC=O)OC;HSFJKKOZDRQTGU-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179873;MM179873;COC(CC#N)C(C)=O;HRODPFBKSFCKLD-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179874;MM179874;COC(CC#N)C(=N)N;WOHXVUFDVXSAPU-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179875;MM179875;C=C(F)C(CC=O)OC;UBLVXMTUHKVMRS-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179876;MM179876;C=C(F)C(CC#N)OC;PAVGMGHZTKOHBD-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179877;MM179877;C=C(C)C(CC)NC=N;LMUVXBKTZJAKME-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179878;MM179878;C=C(C)C(CN)NC=N;PRAWADFTAOCMHN-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179879;MM179879;C=C(C)C(CN)NC=O;DVADSTFNQIUQNQ-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179880;MM179880;C=C(C)C(CO)NC=N;PTKCXNSIRJLXAG-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179881;MM179881;C=C(C)C(CF)NC=N;NVFLKNPLBCPIMA-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179882;MM179882;C=C(C)C(CF)NC=O;NUXLJADRQHWCMR-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179883;MM179883;CC(=O)C(CO)NC=O;TYDNFGKCIADHLC-UHFFFAOYSA-N;131.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179884;MM179884;N=CNC(CO)C(=N)N;HTSIEESBNOJIEA-UHFFFAOYSA-N;130.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179885;MM179885;CCC(NC=O)C(N)=O;WXBRAZMBGHEPKB-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179886;MM179886;C=NNC(CC)C(=C)C;CMQWVXUKUIZOHX-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179887;MM179887;C=NNC(CN)C(=C)C;BJOWMPIBLAEWGF-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179888;MM179888;C=NNC(CO)C(=N)N;BMCFMQUHBWSDMZ-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179889;MM179889;C=COC(CC)C(C)=O;ULDNRVJKVMAJMS-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179890;MM179890;CC(=O)C(CO)OC=O;XJQAXEZOYRSUEV-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179891;MM179891;C=COC(CF)C(C)=O;ORGQSYJVJVSMFT-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179892;MM179892;CCC(OC=O)C(=N)N;KQIKLBFZDJESQO-UHFFFAOYSA-N;130.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179893;MM179893;N=C(N)C(CO)OC=O;AGWWTTSAORUPMB-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179894;MM179894;C=COC(CF)C(=N)N;LOYJUCHQDBWLEG-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179895;MM179895;CCC(OC=O)C(N)=O;NJWZGRIKVRTESG-UHFFFAOYSA-N;131.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179896;MM179896;C=COC(CF)C(N)=O;DTZAUFFVWBDFLX-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179897;MM179897;C=COC(CO)C(=C)F;BZVKKMHMSDQIBX-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179898;MM179898;C=C(F)C(CO)OC=O;SRYWZOOXHCWFMS-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179899;MM179899;C=NOC(CF)C(=C)C;FGRLWOBCCFTSTO-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179900;MM179900;CCC(CC)NC(=O)NN;RTKAVXKZQAKBAX-UHFFFAOYSA-N;145.21;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179901;MM179901;C=NOC(CC)C(=N)N;AQZQWSNTSIKONA-UHFFFAOYSA-N;129.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179902;MM179902;C=NOC(CO)C(=N)N;DJOLXXRGEVWYCQ-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179903;MM179903;CCC(CC)NNC(C)=O;RJXLPHAXWVXQGB-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179904;MM179904;CCCCC(=O)NNCC;AUAZTBJOWMDCBK-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179905;MM179905;Nc1c(NO)n[nH]c1O;JCPXPXRKIRWGSW-UHFFFAOYSA-N;130.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179906;MM179906;COC(OC=O)C(N)=O;SGFAQPWYVGMIRU-UHFFFAOYSA-N;133.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179907;MM179907;C=COC(OC)C(=C)F;USSIPADMYXSQLG-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179908;MM179908;CN(C=N)C(=O)NC=CF;VDNCWVPUBMXCNN-UHFFFAOYSA-N;145.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179909;MM179909;C=NOC(OC)C(=C)F;YWOQFLFVCHXERL-UHFFFAOYSA-N;133.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179910;MM179910;C=CCN(CC)C(C)=N;JOFQYTVOVMDTNR-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179911;MM179911;CCN(CC=O)C(C)=N;ZRJIUXCXAGHHQM-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179912;MM179912;C=CCN(CC)C(C)=O;YIBRSPZRNLGQID-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179913;MM179913;CCCCNNC(=O)CC;GNIBJISTDCAHIH-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179914;MM179914;C=CCN(CC)C(=N)N;CWLZHUOKIOCAPE-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179915;MM179915;CCN(CC#N)C(=N)N;CLQQUFZEAORPMW-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179916;MM179916;C=CCN(NC)C(C)=N;WHVGCHPTSRGSFB-UHFFFAOYSA-N;127.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179917;MM179917;C=CCN(NC)C(C)=O;DLKRBMZSQCFKMH-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179918;MM179918;CNN(CC=O)C(=N)N;XBSKQZOQASGNBA-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179919;MM179919;C#CC(O)CNN=COC;JQICLBIOQNPKMJ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179920;MM179920;C=NOC(CC)C(O)CO;YPVCPFZEBVSBDI-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179921;MM179921;C=CCN(OC)C(C)=O;NWRWARPWFZKPHZ-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179922;MM179922;CON(CC#N)C(C)=O;KFFZJTMMXVEYGT-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179923;MM179923;C#CCC(CF)C(=N)N;MNYYNECLAIZBIZ-UHFFFAOYSA-N;128.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179924;MM179924;C#CCC(CC)C(N)=O;UWAZEISQBHKLTD-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179925;MM179925;C#CCC(CF)C(N)=O;LSBGTCVBAWOTNT-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179926;MM179926;C#CCC(NC)C(=C)C;ZRKILYJTGQMCCC-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179927;MM179927;C#CCC(OC)C(C)=O;JNOJBKCXLWBHFI-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179928;MM179928;NNc1noc(O)c1N;UEIXJHUYOMEUIN-UHFFFAOYSA-N;130.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179929;MM179929;C#CCN(CC)C(C)=O;JPTIPCGWQUPFPH-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179930;MM179930;C#CCN(NC)C(=N)N;SRPWBRGTCRHQFL-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179931;MM179931;C#CCN(OC)C(=N)N;DFEHMOCLJRSWSS-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179932;MM179932;C#CCN(OC)C(N)=O;JFMDYMBABLYQRF-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179933;MM179933;C=CC(CCN)C(=C)C;NCARJCRCTAKLMI-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179934;MM179934;C=CC(O)C(=NN)N(C)O;SGGRVOVUGMFGDZ-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179935;MM179935;C=C(C)C(C#N)CCO;NIFZGEADCLCEMD-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179936;MM179936;C=CC(CCC)C(C)=O;XTIJGHFQAIJBTH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179937;MM179937;C=CC(CCF)C(C)=O;STWWUOSOCHKBPA-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179938;MM179938;C=CC(CCC)C(=N)N;ZCIKVJUCMMAMJP-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179939;MM179939;C=CC(CCN)C(=N)N;FIGYBGRKGVAFHM-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179940;MM179940;C=CC(CCO)C(=N)N;YJYJXVBQPPGZAN-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179941;MM179941;C=CC(CCF)C(=N)N;XQWVCSYIYGJRLX-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179942;MM179942;Nc1c(F)n(O)n(N)c1=O;WNDMHIHIKZFZNS-UHFFFAOYSA-N;148.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179943;MM179943;C=CC(CCN)C(N)=O;ZSDXAYMFSQLROI-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179944;MM179944;CCCC(C=O)C(N)=O;QUYCYKQEDIJXHP-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179945;MM179945;N#CC(CCO)C(N)=O;HLLVSYMLFIEARQ-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179946;MM179946;NC(=O)C(C=O)CCF;ZKGUQNASWNAHOY-UHFFFAOYSA-N;133.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179947;MM179947;C=CC(CCF)C(=O)O;FKEDBLCIGLOVTI-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179948;MM179948;C=CC(CCN)C(=C)F;WBDJRFSMSLSYQK-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179949;MM179949;C=CC(CCF)C(=C)F;NLLMYXIXXIVLNE-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179950;MM179950;C=C(F)C(C=O)CCC;RIZMMVIXFSHEJB-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179951;MM179951;C=C(F)C(C=O)CCF;CRKRWPNXQXZVGA-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179952;MM179952;C=C(C)C(C=O)CNC;CXPABCMVUNMPLW-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179953;MM179953;CNCC(C=O)C(C)=O;KRRWILSMYCZDFF-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179954;MM179954;C=CC(CNC)C(=N)N;WMWZFLPJELENFS-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179955;MM179955;CNCC(C#N)C(=N)N;UESPFTNGIYBHSQ-UHFFFAOYSA-N;126.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179956;MM179956;C=CC(CNC)C(N)=O;WIBSLYNAEMZMCR-UHFFFAOYSA-N;128.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179957;MM179957;C=C(F)C(C=O)CNC;FLYUTJDXOGUWOY-UHFFFAOYSA-N;131.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179958;MM179958;COCC(C#N)C(=N)N;ZBHADJKVWUIIFN-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179959;MM179959;COCC(C#N)C(N)=O;OCUWCDAKLUGBLM-UHFFFAOYSA-N;128.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179960;MM179960;C=C(F)C(C=O)COC;VCLZMBZJIOTLST-UHFFFAOYSA-N;132.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179961;MM179961;C=C(F)C(C#N)COC;HCLLTBSGHLQTPR-UHFFFAOYSA-N;129.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179962;MM179962;C=C(C)C(C#N)NCC;SGMFNFSGWDFILW-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179963;MM179963;N=c1ncn(O)n(O)c1=N;FTGKFBRSIQDGKP-UHFFFAOYSA-N;143.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179964;MM179964;CCNC(C#N)C(=N)N;PLFDJHDYIIPGPW-UHFFFAOYSA-N;126.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179965;MM179965;CCOC(C#N)C(C)=O;PFVFNQJOMSODTC-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179966;MM179966;CCOC(C=O)C(=N)N;LRHLGVXLTGSPLW-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179967;MM179967;CCOC(C#N)C(=N)N;IPJLCMAVKYFBTC-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179968;MM179968;CCOC(C=O)C(N)=O;BMWVFAJSBGSDKB-UHFFFAOYSA-N;131.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179969;MM179969;CCOC(C#N)C(N)=O;CUYGEIBDTYAMPV-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179970;MM179970;C=C(C)N(C=N)CCC;FTCKKIRYAMWNTD-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179971;MM179971;C=C(C)N(C=O)CCC;AGJBSDHXVVCNRV-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179972;MM179972;C=CN(CCN)C(C)=N;ACJXJBQCMIXSEI-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179973;MM179973;CCCN(C=N)C(C)=N;DWUVEKKRRFAMGW-UHFFFAOYSA-N;127.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179974;MM179974;CC(=N)N(C=N)CCF;HFVHXXRFMBJIGS-UHFFFAOYSA-N;131.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179975;MM179975;C=CN(CCC)C(C)=O;YVEXWBLMSGDWMQ-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179976;MM179976;C=CN(CCN)C(C)=O;LHRKUADEOXFPSL-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179977;MM179977;C=CN(CCN)C(=N)N;JDOCGABTKGPHHU-UHFFFAOYSA-N;128.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179978;MM179978;C=CN(CCF)C(=N)N;HNQYASRKZHUHPZ-UHFFFAOYSA-N;131.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179979;MM179979;CCCN(C=N)C(=N)N;ZLUQJPAXEVRQLC-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179980;MM179980;N=CN(CCN)C(=N)N;ZMQQXWHFFFDCDH-UHFFFAOYSA-N;129.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179981;MM179981;N=C(N)N(C=O)CCN;ALWCHAJDWQXCNB-UHFFFAOYSA-N;130.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179982;MM179982;N=C(N)N(C=O)CCO;DKOCVVYYXXLGFB-UHFFFAOYSA-N;131.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179983;MM179983;N=C(N)N(C=O)CCF;OKRYIUTWPAZFII-UHFFFAOYSA-N;133.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179984;MM179984;C=CN(CCF)C(N)=O;ODGKYEVQVWSDFU-UHFFFAOYSA-N;132.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179985;MM179985;N=CN(CCN)C(N)=O;MXLBBEYISAVHIX-UHFFFAOYSA-N;130.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179986;MM179986;CCn1oc(=N)n(O)c1=N;QJQGWRRKICJPSN-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179987;MM179987;C=Cn1oc(=N)n(O)c1=N;QQVLBTRLSARCAN-UHFFFAOYSA-N;142.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179988;MM179988;NC(=O)N(C=O)CCO;ZWHVHAJKPLRDTE-UHFFFAOYSA-N;132.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179989;MM179989;NC(=O)N(C=O)CCF;CGGNMAMOQDFUJF-UHFFFAOYSA-N;134.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179990;MM179990;CN=c1on(C)c(=N)n1O;ROEOUDCNQURUED-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179991;MM179991;C=NN(CCC)C(C)=O;RPEOQFUCNLRXLH-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179992;MM179992;C=NN(CCN)C(C)=O;YQDSORFTYYISLB-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179993;MM179993;NN=c1cc(N)n(O)n1O;YUMYGMVXMOPRIG-UHFFFAOYSA-N;145.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179994;MM179994;C=NN(CCF)C(C)=O;ZCEASEDCSMZDHB-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179995;MM179995;C=NN(CCN)C(=N)N;SQCSVEDWFVPFBW-UHFFFAOYSA-N;129.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179996;MM179996;C=C(C)N(C=O)NCC;LKWWZLXFCQJZID-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179997;MM179997;CCC(CC)C(=O)NNC;QYXVEJOLSNTAJK-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179998;MM179998;CCON(C=N)C(=N)N;WTWHSFGPLXMQQL-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM179999;MM179999;C=CC(CC=O)C(=C)C;WYKVAJQALINJJF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180000;MM180000;C=C(C)C(C=O)CC=O;KXKXKFBRBXMBHB-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180001;MM180001;C=CCC(C=C)C(C)=O;OOVROPCQEWXDEX-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180002;MM180002;C=CCC(C=O)C(C)=O;CECOBQFDIMPOAI-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180003;MM180003;C=CCC(C=C)C(=N)N;OQYYXUSHTJMWRT-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180004;MM180004;N#CCC(C=O)C(=N)N;LZXDEPMQJNYCEH-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180005;MM180005;N#CCC(C#N)C(=N)N;IWILNKDWRGXBSO-UHFFFAOYSA-N;122.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180006;MM180006;CN=c1n(C)oc(=N)n1O;GXNODHUGUVDXPR-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180007;MM180007;N#CC(CC=O)C(N)=O;YSRZZJSKCCKSDT-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180008;MM180008;C=CCC(C=O)C(=C)F;UKEDXLZLUNPTBW-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180009;MM180009;C=C(F)C(C#N)CC#N;HOAPEVSKZZXLMJ-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180010;MM180010;N#CC(NC=N)C(=N)N;BQNSAZMLLDGYAG-UHFFFAOYSA-N;125.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180011;MM180011;N#CC(NC=O)C(N)=O;NIQNVQFNDBYQCA-UHFFFAOYSA-N;127.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180012;MM180012;Cn1cnn(O)c(=O)c1=N;XUFCWNQAFLCPBT-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180013;MM180013;C=C(F)C(C=O)NC=N;YXECKJBBCPHTIQ-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180014;MM180014;C=C(F)C(C=O)NC=O;LLDUMNFAFPPEPC-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180015;MM180015;C=NNC(C=O)C(C)=O;JINRMAHFIXFUJA-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180016;MM180016;N=c1c(=NN)n(O)on1N;ZLXBZJGAEFSWRG-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180017;MM180017;C=Cn1nnc(=NC)n1O;QJALCDNHDLGIJK-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180018;MM180018;C=CC(OC=O)C(=N)N;FXUXXKDABJBNJU-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180019;MM180019;C=COC(C=O)C(=N)N;WZTQXKUAHDYZPF-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180020;MM180020;C=COC(C=C)C(N)=O;JSEAABCXEAGAPO-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180021;MM180021;C=COC(C=O)C(N)=O;PWCZFROWCWVLTF-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180022;MM180022;CNn1nc(N)c(O)c1N;VGXQLRASOZJVJA-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180023;MM180023;C=C(F)C(C=O)OC=O;HORDGACOJSPXIO-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180024;MM180024;C=C(F)C(C#N)OC=O;KDUHBZLWGFLUMJ-UHFFFAOYSA-N;129.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180025;MM180025;C=NOC(C=O)C(C)=O;IWWYRMDJEYVSQG-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180026;MM180026;CN1N=CC(O)C1(C)C;GVCRIOHXIJHDNO-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180027;MM180027;N=c1[nH]c(=N)n(O)c(=O)o1;LMOJGDXFDABORW-UHFFFAOYSA-N;144.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180028;MM180028;C=NOC(C)C(O)CO;YUZQGHQFXICFIU-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180029;MM180029;C=NOC(C#N)C(=C)F;BHVNUZAJMAGPOQ-UHFFFAOYSA-N;128.11;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180030;MM180030;C=C(C)N(C=N)CC=O;XJLJMIYAQKZUJX-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180031;MM180031;C=C(C)N(C=O)CC=O;PSBIQDGNCHEGBT-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180032;MM180032;C=CN(CC=O)C(C)=N;ZOKRMVXZSHQQFF-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180033;MM180033;C=CCN(C=C)C(C)=O;FQTSNCKFPMUONG-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180034;MM180034;C=CN(CC=O)C(C)=O;QOGLBQIRGRKVOB-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180035;MM180035;C=CCN(C=O)C(C)=O;ONTVLFXNSDDXSF-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180036;MM180036;C=CN(CC=O)C(=N)N;PWCBAVHUNSFYNX-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180037;MM180037;N=CN(CC=O)C(=N)N;ACHMEBJFVJEPLG-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180038;MM180038;N=C(N)N(C=O)CC=O;NUGLEKVGVBBQAL-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180039;MM180039;C=CCN(C=C)C(N)=O;VSQDYMOQXYUXSC-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180040;MM180040;NN=C1COC(=NN)N1;CNQNULGYKDXQJH-UHFFFAOYSA-N;129.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180041;MM180041;C=CCN(N=C)C(C)=N;UCYAUFULTLDVOP-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180042;MM180042;C=CCN(N=C)C(=N)N;GAWKXIAQDZAFMT-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180043;MM180043;CC=CC(C)(C)NNC=O;GYHMRZRYDWATRZ-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180044;MM180044;C=CN(NC=O)C(C)=N;JTUSWHNKTNMKAT-UHFFFAOYSA-N;127.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180045;MM180045;N=CNN(C=N)C(=N)N;VKTCXISEUFUKAM-UHFFFAOYSA-N;128.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180046;MM180046;N=CN(NC=O)C(=N)N;FGKNURMEUIPXIY-UHFFFAOYSA-N;129.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180047;MM180047;N=CNN(C=O)C(=N)N;KEUHIGRGTGPTOW-UHFFFAOYSA-N;129.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180048;MM180048;N=CNN(C=N)C(N)=O;WRZMDMZHUBIQMS-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180049;MM180049;N=CN(NC=O)C(N)=O;WPVLSWIAVVHYMU-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180050;MM180050;NC(=O)N(C=O)NC=O;RWTYYGUFTVNLNS-UHFFFAOYSA-N;131.09;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180051;MM180051;C#CCC(C=C)C(=C)C;BYDFOXKOFNMKFJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180052;MM180052;C#CCC(C=O)C(=C)C;BHJRCXWGVCXBGT-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180053;MM180053;C#CCC(C=C)C(C)=O;QXKIYMUHDCZQOA-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180054;MM180054;C#CCC(C=O)C(C)=O;YCTGHHMBHQEUAR-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180055;MM180055;C#CCC(C=C)C(=N)N;DJQHLCVVPCVRNW-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180056;MM180056;C#CCC(C=C)C(N)=O;DJGNJPDOAOOVOQ-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180057;MM180057;C#CCC(C=O)C(N)=O;ISJOLTRAQOVCAR-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180058;MM180058;C#CCC(C=O)C(=C)F;JCXHRVPJQVBXPJ-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180059;MM180059;C#CCN(C=C)C(C)=O;VWJADMYSOUXRFE-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180060;MM180060;C#CCN(C=O)C(C)=O;WZVSSHQZQBXUCK-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180061;MM180061;C#CCN(C=N)C(=N)N;IMFMQXLGQKSZBR-UHFFFAOYSA-N;124.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180062;MM180062;C#CCN(C=O)C(N)=O;XVGPUHBEZJIWJF-UHFFFAOYSA-N;126.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180063;MM180063;C#CC(CCC)C(=C)C;YRFMFHRHLPTUCY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180064;MM180064;C#CC(CCN)C(=C)C;QVWQQXWOUUVJPC-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180065;MM180065;C=C(C)C(C)(C)C(=O)NN;LBNONJXYUGNVPJ-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180066;MM180066;C#CC(CCF)C(=C)C;JMMYEIONHQRQTO-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180067;MM180067;C#CC(CCF)C(C)=O;RWYCEOXZSNNJAJ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180068;MM180068;C#CC(CCC)C(=N)N;GQRYURSZDMUNFQ-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180069;MM180069;C#CC(CCN)C(=C)F;DUEXKHLPGBDIBV-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180070;MM180070;C#CC(CCF)C(=C)F;GVJJOOPWWPGZNI-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180071;MM180071;C#CC(CC=C)C(=C)C;KORQTFSLNPBOHQ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180072;MM180072;C#CC(CC#N)C(=C)C;KQFFGSUBISDOHF-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180073;MM180073;C#CC(CC=C)C(N)=O;QTUFGSGKEIDYRC-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180074;MM180074;C#CC(CC=O)C(N)=O;CTEGUYMXLKZWKK-UHFFFAOYSA-N;125.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180075;MM180075;C#CC(CC#N)C(=O)O;WPYSXGWLKMWFOH-UHFFFAOYSA-N;123.11;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180076;MM180076;C#CC(CC=O)C(=C)F;HOWDEOJBQGBZDG-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180077;MM180077;C#CC(NC=N)C(=N)N;NVVGJERNTPKGPP-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180078;MM180078;C#CC(NC=O)C(=N)N;QCNDAYHTTATDTR-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180079;MM180079;C#CC(NC=O)C(N)=O;MKJFWJGXFYPGNF-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180080;MM180080;O=c1cc(F)[nH]c(=O)o1;VBWAVPWEZHKMBI-UHFFFAOYSA-N;131.06;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180081;MM180081;C#CC(NN=C)C(=N)N;ZWPZVPHHOLSEFQ-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180082;MM180082;Cc1oc(=O)n(O)c1C;FPNVNIICENLINR-UHFFFAOYSA-N;129.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180083;MM180083;C#CC(OC=O)C(=N)N;AMQIAFWKIREVSD-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180084;MM180084;C#CC(OC=O)C(N)=O;REHASSUIFIIFCX-UHFFFAOYSA-N;127.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180085;MM180085;C#CC(OC=O)C(=C)F;BULWAKLBZJUOAS-UHFFFAOYSA-N;128.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180086;MM180086;C=C(C)C(=C)CC(=O)NN;ZUDHTKXMEMNMQL-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180087;MM180087;C#CCC(C#C)C(=C)C;MRYWDKZRCSNXDC-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180088;MM180088;C#CCC(C#C)C(C)=O;CSKRDJUZQATNQK-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180089;MM180089;C#CCC(C#C)C(=N)N;KKMSRHIRCSRVIU-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180090;MM180090;C#CCC(C#C)C(=O)O;VOQXTSOPWGJQFI-UHFFFAOYSA-N;122.12;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180091;MM180091;CC=CC(CN)C(C)C;LTBFETIODFAGKV-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180092;MM180092;CC(C)C(C=CF)CN;HGDDPZDWKRHHFW-UHFFFAOYSA-N;131.19;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180093;MM180093;CCC(C=CF)C(C)N;PPWIQZNUHQJGMN-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180094;MM180094;CC=CC(CF)C(C)N;DXKZPQHCLHWMMH-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180095;MM180095;CC(N)C(C=CF)CF;OUMGPVURUDMAGT-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180096;MM180096;CC=CC(CF)C(C)O;KJFFKHLHCDFTGY-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180097;MM180097;CC(O)C(C=CF)CF;UBKORMRHVTVTQD-UHFFFAOYSA-N;136.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180098;MM180098;CC=CC(CN)C(C)F;HSFHAMOIOBIDBY-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180099;MM180099;CC(F)C(C=CF)CF;OSTMKMOIKVENDG-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180100;MM180100;CC=CC(CN)C(F)F;ASRQXNQTHONOCI-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180101;MM180101;NCC(C=CF)C(F)F;XOVFYFFFOCHGOK-UHFFFAOYSA-N;139.12;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180102;MM180102;CCC(C=NN)C(C)C;OORXDXLECRWYOC-UHFFFAOYSA-N;128.22;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180103;MM180103;CC(C)C(C=NO)CO;IZKJDOZIXSYCBI-UHFFFAOYSA-N;131.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180104;MM180104;CC(C)C(C=NN)CF;DFKDQBDOPFEHRO-UHFFFAOYSA-N;132.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180105;MM180105;CCC(C=NN)C(C)F;KZOQTVWLMJBPTG-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180106;MM180106;CC(F)C(C=NN)CF;YLTVBRGFESNVPF-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180107;MM180107;CC(F)C(C=NO)CF;NJBSIOSAYDRMHA-UHFFFAOYSA-N;137.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180108;MM180108;CC=CC(NC)C(C)C;IEGWIMKRINHELL-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180109;MM180109;CNC(C=CF)C(C)C;WUXNANUWCBDGDH-UHFFFAOYSA-N;131.19;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180110;MM180110;CNC(C=CF)C(C)O;VEARYUIZIRGNHS-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180111;MM180111;C=CCC(=C)CC(=O)NN;NFAVNULMJGQCNE-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180112;MM180112;COC(C=NN)C(F)F;OCKNDKIYTXDIGX-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180113;MM180113;C=Cn1nc(C)n(O)c1=O;NDZAJXGQHYNWOQ-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180114;MM180114;CN(C)C(C=CF)CN;NEOAHOZJRLTKCF-UHFFFAOYSA-N;132.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180115;MM180115;CCN(C=NC)C(C)C;UWFGZMVLIOUMRV-UHFFFAOYSA-N;128.22;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180116;MM180116;C=CCC(=C)CNNC=O;KZPCONLKYDDQAP-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180117;MM180117;C=CC(C=CF)C(C)C;MKTGEOVABLLAMQ-UHFFFAOYSA-N;128.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180118;MM180118;CC=CC(C=O)C(C)C;QRSZRVKBCXULQX-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180119;MM180119;CC=CC(C#N)C(C)C;CVNMCTRSDGQBIT-UHFFFAOYSA-N;123.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180120;MM180120;CC(C)C(C#N)C=CF;XWJQRAMNOJKABM-UHFFFAOYSA-N;127.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180121;MM180121;C=CC(C=CC)C(C)N;BLQFJORDZRUDTK-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180122;MM180122;C=CC(C=CF)C(C)N;KLDHBTRXNOLTAE-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180123;MM180123;CC=CC(C=O)C(C)F;MRYYAHPUFKWTQT-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180124;MM180124;C=CC(C=CC)C(F)F;OTPSSZFNYIOROH-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180125;MM180125;C=CC(C=CF)C(F)F;COOKOBKMKPTTML-UHFFFAOYSA-N;136.12;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180126;MM180126;CC=CC(C=O)C(F)F;GEIVSSBYNRPKFH-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180127;MM180127;C=CC(C=NN)C(C)C;UJNBYCKYXKRJJU-UHFFFAOYSA-N;126.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180128;MM180128;C=CC(C=NO)C(C)N;BSBMLLXAJJPEPG-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180129;MM180129;CC(O)C(C=O)C=NO;CPXVPPGFZBNGKR-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180130;MM180130;Nc1on(O)c(=O)c1O;WNDYQMWARPVDFE-UHFFFAOYSA-N;132.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180131;MM180131;CC(C)N(C=N)C=CF;SSDSLDCSYPDAOZ-UHFFFAOYSA-N;130.17;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180132;MM180132;CC=CN(C=O)C(C)C;KRGSFBSQILBPEJ-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180133;MM180133;C=CN(C=NC)C(C)C;AXIBHIZLAJWMMP-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180134;MM180134;C=C(C)C(=C)CNNC=O;LYKVFTDBOVCTPQ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180135;MM180135;CN=CN(C=N)C(C)C;YRNYLVMKRTWCIX-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180136;MM180136;N=c1c(F)cc(F)nn1O;HDYRIJSCBBZXRT-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180137;MM180137;C=CC(=CC)CC(=O)NN;VZOWALZKHKPFJQ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180138;MM180138;C#CC(C=CF)C(C)C;JLKISKOUXKCUHW-UHFFFAOYSA-N;126.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180139;MM180139;C#CC(C=CF)C(C)N;HSVQDCQBSFHUMG-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180140;MM180140;C#CC(C=CF)C(C)O;IOSAUVFXJFTICX-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180141;MM180141;C#CC(C=CF)C(C)F;JRVGIYAHFRPGNJ-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180142;MM180142;C#CC(C=CF)C(F)F;XLTKAQDADASPGU-UHFFFAOYSA-N;134.1;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180143;MM180143;C#CC(C=NN)C(C)C;OOADYFDCSBVBDK-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180144;MM180144;C#CC(C=NO)C(C)C;NLTBWMQPWWHMQA-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180145;MM180145;C=C(C)C(C=CF)CN;WEWIYBKZDYEKER-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180146;MM180146;C=C(C)C(C=CF)CF;BRGVLPVJFDHKHU-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180147;MM180147;CC(=O)C(C=CF)CF;ZGBRZQSWOKOWPT-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180148;MM180148;CC=CC(CC)C(=N)N;GWNSDYPARODCCM-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180149;MM180149;CCC(C=CF)C(=N)N;GGZOTYLHYCFNMD-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180150;MM180150;CC=CC(CN)C(=N)N;DESBWAPUEDGBLA-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180151;MM180151;CC=CC(CF)C(=N)N;WRJTXSMPEMNCMD-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180152;MM180152;C=NOCC(=C)C#CCO;QLEAGPZISYLVKY-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180153;MM180153;CCC(C=CF)C(N)=O;NCQBYMLDWPAXGO-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180154;MM180154;CC=CC(CF)C(N)=O;MEUJIPUDIJOPPF-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180155;MM180155;CC=CC(CF)C(=O)O;MLKHISHARBBXMG-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180156;MM180156;CCC(C=NN)C(=N)N;QZRURWHGFPCXIF-UHFFFAOYSA-N;128.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180157;MM180157;CCC(C=NO)C(=N)N;KRYUHFCHQAFQFV-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180158;MM180158;C#CC1(O)CC1CC=NN;VOYGICDNURWMOW-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180159;MM180159;C#Cc1c[nH]n(C=C)c1=O;JIAOITBLHADGFE-UHFFFAOYSA-N;134.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180160;MM180160;C=C(C)C(C=CC)NC;FLKRGNKUHPETGV-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180161;MM180161;COC(C=CF)C(C)=O;DTHXFNADGLGIEY-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180162;MM180162;COC(C=NN)C(=N)N;DMWLKXVPYYXLCV-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180163;MM180163;C=CC(O)C(=NOC)NN;SMJWRUHHSBYKDL-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180164;MM180164;COc1cc(=O)cc(O)o1;KTWXJWKFLQDLFH-UHFFFAOYSA-N;142.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180165;MM180165;N=c1[nH]c(=O)n(O)c(=N)o1;KMVUINGQPKSQFH-UHFFFAOYSA-N;144.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180166;MM180166;C=C(F)C(C=NN)OC;HPSANJOIQSNVLJ-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180167;MM180167;CC=CN(CC)C(C)=O;VQDRUXLXSHHYJT-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180168;MM180168;CC=CN(CC)C(N)=O;AKCLHTVTPZEDLR-UHFFFAOYSA-N;128.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180169;MM180169;CCN(C=CF)C(N)=O;OKGOIMDSXBGOMV-UHFFFAOYSA-N;132.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180170;MM180170;Cn1cnn(O)c(=N)c1=O;ZNUVAAQINZRUAR-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180171;MM180171;CCN(C=NN)C(C)=N;KOLUIFHNLWXMGR-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180172;MM180172;N=c1c(=O)n(N)cnn1O;UCMFQDBFFBLCMG-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180173;MM180173;CCN(C=NO)C(C)=O;YOARDUZQTSEMNQ-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180174;MM180174;CC=CN(NC)C(C)=N;DWRADJLCTRZRSJ-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180175;MM180175;CNN(C=CF)C(C)=N;QTTJGUDPZFNLNW-UHFFFAOYSA-N;131.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180176;MM180176;CC=CN(NC)C(C)=O;ABFSQQFBHXFDFO-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180177;MM180177;NN=c1oc(=O)n(N)n1O;RMJMHSFTMIHFQT-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180178;MM180178;CN=CN(NC)C(C)=N;XZGCAKNQPOMXOT-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180179;MM180179;CNN(C=NN)C(=N)N;WBELMAZIRPLZLF-UHFFFAOYSA-N;130.16;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180180;MM180180;CNN(C=NO)C(=N)N;IGVKBDREXAZCBU-UHFFFAOYSA-N;131.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180181;MM180181;CC(C)c1c[nH]c(CF)n1;PHUUTWGBEHXCEL-UHFFFAOYSA-N;142.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180182;MM180182;CC(C)NNC=O;ODEHTVSJNVTBES-UHFFFAOYSA-N;102.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180183;MM180183;CNN(C=NO)C(N)=O;CHJCAJVGMKSKPF-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180184;MM180184;CC=CN(OC)C(C)=O;LUEIEEDBCPSILZ-UHFFFAOYSA-N;129.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180185;MM180185;CON(C=CF)C(C)=O;ZHVFRJNFEVKSPE-UHFFFAOYSA-N;133.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180186;MM180186;CON(C=CF)C(=N)N;TVSJDSMUZAZKJV-UHFFFAOYSA-N;133.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180187;MM180187;CC=CN(OC)C(N)=O;NRZIOPOMUUZJDY-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180188;MM180188;CC1(C)NN=CC1O;NQGATIKZNMMYAB-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180189;MM180189;C=C(C)N(C=NO)OC;AKFTZMHVFAULDW-UHFFFAOYSA-N;130.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180190;MM180190;CN=CN(OC)C(=N)N;QHERHTOCHBFBJU-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180191;MM180191;OC1CN2CC2C1O;NENCAGQMBMDGCD-UHFFFAOYSA-N;115.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180192;MM180192;C=C(C)C(C=O)C=CC;DUJFDBWDJXLRHH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180193;MM180193;C=C(C)C(C=O)C=CF;CTKUJJOZPSVXAP-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180194;MM180194;C=CC(C=CC)C(C)=O;FMEZWXSIKIPPOM-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180195;MM180195;C=CC(C=CF)C(C)=O;GIQKXERNKSDSLW-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180196;MM180196;C=CC(C=CC)C(=N)N;DJBASOIAHNCULY-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180197;MM180197;CC=CC(C=O)C(=N)N;TWUSCWJVRGIGAO-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180198;MM180198;N=C(N)C(C=O)C=CF;BBSQKPIFQJPHEX-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180199;MM180199;C=CC(C=CC)C(N)=O;BLXOZGZYFKBEPS-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180200;MM180200;C=CC(C=CF)C(N)=O;CRVUSKIOFATHPC-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180201;MM180201;N#CC(C=CF)C(N)=O;UNVYVVPWSXILOS-UHFFFAOYSA-N;128.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180202;MM180202;C=CC(C=NN)C(=C)C;SPJZBOLTTXAHTO-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180203;MM180203;C=CC(C=NO)C(=C)C;YMPJYJDPYHHAAT-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180204;MM180204;C=CC(C=NN)C(=C)F;WOHGXVZQBIWQKS-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180205;MM180205;C=CN(C=CF)C(C)=O;WSUHWRBKXUOGER-UHFFFAOYSA-N;129.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180206;MM180206;N=CN(C=CF)C(=N)N;XZPXZZVZLCDMKV-UHFFFAOYSA-N;130.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180207;MM180207;C=C(C)N(C=O)C=NC;ZLVZCEVOVXNELM-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180208;MM180208;C=C(C)N(C=O)C=NO;YUHXWFSRPUWMQI-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180209;MM180209;N=C1CC(O)C(=N)N1O;WLSLNUVTDNZULQ-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180210;MM180210;CN=CN(C=O)C(C)=O;GFRKVSGMTPHGFE-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180211;MM180211;C=CN(C=NN)C(=N)N;XIELELDPJLZZOA-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180212;MM180212;C=CN(C=NO)C(=N)N;KHFKTBPVFONQFK-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180213;MM180213;CN=CN(C=N)C(=N)N;NPAIJAKFIFHMHN-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180214;MM180214;N=CN(C=NN)C(=N)N;OMJHNFXHGUJDEW-UHFFFAOYSA-N;128.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180215;MM180215;N=CN(C=NO)C(=N)N;QLZRGRPVGNOAJI-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180216;MM180216;Cn1on(O)c(=N)c1=O;RLBXLQRIOJUFQV-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180217;MM180217;N=CN(C=NO)C(N)=O;DRBMNTKAGNULFY-UHFFFAOYSA-N;130.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180218;MM180218;CN=CN(C=O)C(N)=O;MWHXXSXAAKSPMY-UHFFFAOYSA-N;129.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180219;MM180219;NN=CN(C=O)C(N)=O;WNPIPCMZSIGODL-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180220;MM180220;NC(=O)N(C=O)C=NO;HMOIHDGRCIZVHU-UHFFFAOYSA-N;131.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180221;MM180221;C=NN(C=CC)C(C)=O;LVVLQZCQQAEMCO-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180222;MM180222;CC#CC(O)CN1CC1;SGBIDUFTZZNRIT-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180223;MM180223;CC1C(=NN)C=NN1C;YAGUIOVLSSJATJ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180224;MM180224;N#CC1=NCC(=N)N1O;LYLWNWIOABXTKU-UHFFFAOYSA-N;124.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180225;MM180225;C=NN(C=NO)C(C)=O;PTXMWSCUNGZPGS-UHFFFAOYSA-N;129.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180226;MM180226;C=NN(C=NN)C(=N)N;CCEBSEWBCJWPIC-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180227;MM180227;Cc1c(NN)n[nH]c1F;XDCAZQLUHYVHBC-UHFFFAOYSA-N;130.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180228;MM180228;C=NN(C=NO)C(N)=O;DCTBSPHXGMBXRG-UHFFFAOYSA-N;130.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180229;MM180229;CC=NN(C=N)C(=N)N;FNSJXEHZWGOADC-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180230;MM180230;C#CC(C=CC)C(=C)C;MFMQSVRHERTZQD-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180231;MM180231;C#CC(C=CF)C(=C)C;DXLSNLXVWCRFNH-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180232;MM180232;C#CC(C=CC)C(C)=O;STRJKEQDROSNCP-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180233;MM180233;C#CC(C=CF)C(C)=O;CTVOFSXMZCAEEN-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180234;MM180234;C#CC(C=CC)C(=N)N;LWQPCXVOUSSTPZ-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180235;MM180235;C#CC(C=CF)C(=O)O;NPZHYSZKBWAXPQ-UHFFFAOYSA-N;128.1;0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180236;MM180236;C#CC(C=CF)C(=C)F;QQWGAGUUFXMUCO-UHFFFAOYSA-N;128.12;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180237;MM180237;C#CC(C=NN)C(=N)N;XVMHIJFJEAILFP-UHFFFAOYSA-N;124.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180238;MM180238;O=C(C#CC1CN1)CO;AXDYJWVBVRJDES-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180239;MM180239;C#CC(C=NN)C(=C)F;DYBXWENTEJGKMI-UHFFFAOYSA-N;126.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180240;MM180240;CC#CC(CC)C(C)C;IZSSKVXMWPVHHA-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180241;MM180241;ONC1=NC2C(F)C2O1;QFBVLKZBDGSTFR-UHFFFAOYSA-N;132.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180242;MM180242;CC#CC(CF)C(C)C;BXSZWFWEXPBJRG-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180243;MM180243;CC#CC(CO)C(C)N;JFMPFQKATMEUJX-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180244;MM180244;CC#CC(CF)C(C)N;HZMXUGCPDNHSTO-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180245;MM180245;CC#CC(CN)C(C)O;FZAMZIOJVNFPGH-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180246;MM180246;CC#CC(CF)C(C)O;ZNJGVPBPSLYTBV-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180247;MM180247;CC#CC(CF)C(C)F;YMBUFGJSJSUSQC-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180248;MM180248;CC#CC(CN)C(F)F;QFUCZLYQTNKFQM-UHFFFAOYSA-N;133.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180249;MM180249;CC#CC(NC)C(C)C;OLBGUQNJSTWKCA-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180250;MM180250;CC#CC(OC)C(C)O;HNQQVRDKGOXZJN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180251;MM180251;CC#CC(CN)N(C)C;HFCZMAVGDSGIPT-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180252;MM180252;CC#CC(C=O)C(C)C;MCZBROYAFAWTGN-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180253;MM180253;C=CC(C#CC)C(C)N;GKILRKHUDAPNBW-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180254;MM180254;CNN=CCC(C)(O)C=O;YBOJMWVOUOABSS-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180255;MM180255;C#CC(C#CC)C(C)C;SGIVVKOGYIDPPB-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180256;MM180256;CON=CCC(C)(O)C=O;KIWQIUVRRYYEQZ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180257;MM180257;C=C(C)C(C#CC)CN;JNKHOICQKXGXLT-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180258;MM180258;CC#CC(CC)C(C)=O;DWWQGJGXPXWSMZ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180259;MM180259;CC#CC(CC)C(=N)N;QZDBBGCLQKRLOY-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180260;MM180260;CC#CC(CF)C(=N)N;FNUIZHPWXOAWCK-UHFFFAOYSA-N;128.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180261;MM180261;CC#CC(CO)C(N)=O;ZJNDNCWIOIAMPR-UHFFFAOYSA-N;127.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180262;MM180262;CC#CC(CF)C(N)=O;FYAXLWACDXLLLZ-UHFFFAOYSA-N;129.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180263;MM180263;CC#CC(CC)C(=O)O;DPEYQSGVRNTGRU-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180264;MM180264;C=C(F)C(C#CC)CN;VCSAWTOYMSLHCL-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180265;MM180265;C=C(C)C(C#CC)NC;QAYCWHPJIIKFSM-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180266;MM180266;OCc1nc(O)no1;XDRULHIYQCAFSU-UHFFFAOYSA-N;116.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180267;MM180267;C=CC(C#CC)C(=C)C;JTBBMJVOVRYEQE-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180268;MM180268;C=C(C)C(C#CC)C=O;XHEZLVJJUHCJKC-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180269;MM180269;C=CC(C#CC)C(C)=O;AZAFADYXNQCIOY-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180270;MM180270;C=CC(C#CC)C(=N)N;QRCXRJCBPNGEOW-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180271;MM180271;CC#CC(C=O)C(=N)N;KFMYAYQLJPMKIK-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180272;MM180272;C#CC(C#CC)C(=N)N;OAJIBEHJTZLJNK-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180273;MM180273;C#CC(C#CC)C(N)=O;WJHKGMRYFNMVPR-UHFFFAOYSA-N;121.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180274;MM180274;CCCC(=CF)C(C)C;OIGHIPLXGXBFEG-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180275;MM180275;CC(C)C(=CF)CCN;DPEPDARUWFGGFY-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180276;MM180276;CC(C)C(=CF)CCF;JEWYFQWWEWJOBR-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180277;MM180277;CC=C(CCF)C(C)N;NQVSNBCOULJOND-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180278;MM180278;CC(N)C(=CF)CCF;XTRUYKIQKPGKHJ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180279;MM180279;CC=C(CCF)C(C)O;MFZHEVVKVIHPAE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180280;MM180280;CCCC(=CF)C(C)O;FRWRKENMQLKFNB-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180281;MM180281;CC(O)C(=CF)CCN;LTSARUDPCLVVPA-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180282;MM180282;CC(O)C(=CF)CCF;XEQSQRQBWNJZRL-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180283;MM180283;CC=C(CCN)C(C)F;KTKNDHHLUXBBED-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180284;MM180284;CC=C(CCF)C(C)F;XSAZCKWNWIGFBN-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180285;MM180285;CC(F)C(=CF)CCF;UNUMFKPMPJLYKW-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180286;MM180286;CC=C(CCF)C(F)F;VVFIRFAPNYJCGJ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180287;MM180287;CC=C(CNC)C(C)C;WOUMODVNRQSLGL-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180288;MM180288;CNCC(=CF)C(C)C;XJVXRJKPTFPIRU-UHFFFAOYSA-N;131.19;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180289;MM180289;CNCC(=CF)C(C)N;GRDNIZLECJTNFO-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180290;MM180290;CC=C(CNC)C(C)F;GADBJHDGLBKKIC-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180291;MM180291;CC=C(CNC)C(F)F;VODCFZCBGNMCAI-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180292;MM180292;CCCC(=NN)C(C)C;VQANAMTUEDBTRW-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180293;MM180293;CC(C)C(CCF)=NN;LGRMJYLJDYMALK-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180294;MM180294;CCCC(=NO)C(C)C;AHMNLRKVMYAESR-UHFFFAOYSA-N;129.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180295;MM180295;CC(C)C(CCF)=NO;HYKUJQDDTROJSV-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180296;MM180296;C=C(C)C=CCNNC=O;JXVMGYGUPWQVPK-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180297;MM180297;CC(F)C(CCF)=NN;CBEXZOIMEVAPJB-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180298;MM180298;Cn1nc(CO)n(O)c1=O;JBSBIDCHZBPDBX-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180299;MM180299;COCC(=NO)C(C)C;HLHBUJYBYFUPPJ-UHFFFAOYSA-N;131.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180300;MM180300;C=NOC(C)C(O)COC;QTNCPLUUAHURFN-UHFFFAOYSA-N;147.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180301;MM180301;N=c1[nH]c(=O)nc(N)o1;ZULKPIYYSLUVDW-UHFFFAOYSA-N;128.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180302;MM180302;CCC=C(C)C(=O)NNC;ZWOIUBMRUNSKGU-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180303;MM180303;C#CC(=O)OC(CO)=NO;DNGUZEHUWOYKMH-UHFFFAOYSA-N;143.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180304;MM180304;CCN=C(NN)C(C)C;AUNCQPNIRXUAFQ-UHFFFAOYSA-N;129.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180305;MM180305;CCN=C(NO)C(C)C;GBJCWPXPZHVNJD-UHFFFAOYSA-N;130.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180306;MM180306;CCN=C(NO)C(C)N;ZVNGQWLFLWXLFE-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180307;MM180307;CCN=C(NC)C(C)O;LZDWDOWGLRIREQ-UHFFFAOYSA-N;130.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180308;MM180308;CCN=C(NN)C(C)O;UIOUDPVDJUCDTB-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180309;MM180309;C#CCN(N)C(=O)C(N)=O;BSFXDISHUWLCFQ-UHFFFAOYSA-N;141.13;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180310;MM180310;CNN=C(NC)C(C)N;GLTOVEAUIQUHKM-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180311;MM180311;CNN=C(NC)C(C)O;WLFFCYKTCPNTNU-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180312;MM180312;CNC(=O)N=CN(O)C=N;HQSFQBWFFPZRKS-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180313;MM180313;C=NNCC(O)C(F)CO;URRDOKOKWOBZCL-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180314;MM180314;CON=C(NN)C(C)C;XBLZFBMYGQZPGD-UHFFFAOYSA-N;131.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180315;MM180315;CNC(=NOC)C(C)N;GPQSCVNNHMKPCT-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180316;MM180316;CNC(=NOC)C(C)F;NCBKMZZIDPHURD-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180317;MM180317;C=NOCC(O)C(C)OC;GHSBKYTUEJDWFO-UHFFFAOYSA-N;147.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180318;MM180318;CCOC(=CF)C(C)N;AVEVZXKFKDEJII-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180319;MM180319;CCOC(=CF)C(C)O;XTQHVWZWEANTHW-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180320;MM180320;CC=CC=CCC(=O)NN;MOTQNJQVWAFHTO-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180321;MM180321;C#Cc1occ(O)c1F;KLIPLZHTYLYAKL-UHFFFAOYSA-N;126.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180322;MM180322;CN=C(CCN)N(C)C;BZFGCCPVJIPPMY-UHFFFAOYSA-N;129.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180323;MM180323;CN=C(CCF)N(C)C;YGBZGCPSZWXVAZ-UHFFFAOYSA-N;132.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180324;MM180324;CCCC(=NN)N(C)C;KBECCWCPWFLDIH-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180325;MM180325;Cc1c(F)c(=N)n(O)n1O;KIRLQFILNGWYAH-UHFFFAOYSA-N;147.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180326;MM180326;CN=C(CNC)N(C)C;YIGZEDNAYIQXQB-UHFFFAOYSA-N;129.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180327;MM180327;Cc1c(F)c(C)n(O)c1N;CFLWVCWYTXMCCP-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180328;MM180328;COCC(=NO)N(C)O;ISOAWVBUSITSSV-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180329;MM180329;CCNC(=NC)N(C)C;QEMTVPIFWZHPNF-UHFFFAOYSA-N;129.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180330;MM180330;CCNC(=NN)N(C)N;RQKLUAXEOZMOJL-UHFFFAOYSA-N;131.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180331;MM180331;CCNC(=NN)N(C)O;URJBDCITZDRTRB-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180332;MM180332;N=c1cnc(F)c(F)n1O;DIQCKNRXGFDMMR-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180333;MM180333;CONC(=NN)N(C)N;LXTYXIBGBNPTAT-UHFFFAOYSA-N;133.16;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180334;MM180334;CCOC(=NC)N(C)C;DLCYNZGHZXPDIL-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180335;MM180335;CC=C(CC)C(=O)NNC;NKPBGWWRHWXXGV-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180336;MM180336;C=NN=C1C=CN(N=C)C1;CWFPOUKRIWVAKF-UHFFFAOYSA-N;136.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180337;MM180337;CC=C(CC=O)C(C)C;AUMPFLDYTPAPER-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180338;MM180338;CC=C(CC#N)C(C)C;WJZFGKBQRFMXNR-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180339;MM180339;CC(C)C(=CF)CC=O;IMGWUCKZHHEAGF-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180340;MM180340;C=CCC(=CF)C(C)N;HEYFSMLEXGLXBL-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180341;MM180341;CC=C(CC=O)C(C)F;RMOAYXVUYAIZOE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180342;MM180342;C=CCC(=CF)C(C)F;YIDYMNMYGLASRL-UHFFFAOYSA-N;132.15;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180343;MM180343;CC(F)C(=CF)CC=O;UQEIXMKQUCZAJP-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180344;MM180344;CC=C(CC=O)C(F)F;CPQZASAYQHZTJH-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180345;MM180345;C=CCC(=NO)C(C)C;NYWRCUFOYKMBOW-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180346;MM180346;C=CCC(=NN)C(C)F;INROAQNQSAYAKH-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180347;MM180347;CC=C(NC=N)C(C)C;OKCPDMGBWFLOJD-UHFFFAOYSA-N;126.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180348;MM180348;CC=C(NC=O)C(C)C;XDITUPQWJDCOPT-UHFFFAOYSA-N;127.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180349;MM180349;CN=C(NC=N)C(C)C;MIZCKFPTHOBJIN-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180350;MM180350;CC(C)C(=NN)NC=O;SYNYIFYUNNFXJS-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180351;MM180351;CC(C)C(=NO)NC=O;YJIDANRSUQLBRO-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180352;MM180352;Nc1c(F)c(O)c(F)n1O;WDDWZXODEGMCDM-UHFFFAOYSA-N;150.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180353;MM180353;CN=c1c(=O)n(C)on1O;DGRHHYMBYUDSQJ-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180354;MM180354;C=COC(=CF)C(C)O;UWHSNWHVNDOXFI-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180355;MM180355;CC=CC=CCNNC=O;XOYMGCBAPCMAQQ-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180356;MM180356;CC(O)C(=NN)OC=O;YJJOHFLEHNHREN-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180357;MM180357;N=CNc1c[nH]nn1;WGPCOKXNCFZYRZ-UHFFFAOYSA-N;111.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180358;MM180358;CCC(N)=CC(=O)NN;LROMJLHOUYMGSP-UHFFFAOYSA-N;129.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180359;MM180359;N=Cn1ncn(O)c1=O;XLAOYUWZGCYFDC-UHFFFAOYSA-N;128.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180360;MM180360;CNC(C)=CC(=O)NN;NIWSQDSUXFCLLX-UHFFFAOYSA-N;129.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180361;MM180361;NN=C(OC=O)C(F)F;XXJGQLPSVCFNKN-UHFFFAOYSA-N;138.07;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180362;MM180362;N=Cn1oc(=O)[nH]c1=O;WYQLPOJPXKVPRK-UHFFFAOYSA-N;129.08;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180363;MM180363;CN(C=NC=O)NC=O;IVYSFLAWBOKRBG-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180364;MM180364;NN=COCC(O)CF;MHVIVIWPFLYUHW-UHFFFAOYSA-N;136.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180365;MM180365;CN(O)C(CC=O)=NO;MDVUKPUTUXGDJQ-UHFFFAOYSA-N;132.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180366;MM180366;C#CC(O)C(C)C=NN;RADYCZXNWHWQON-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180367;MM180367;CN=C(NC=O)N(C)N;UHJLVWFKYRSDLY-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180368;MM180368;C=CNC(=NN)N(C)N;MLBQLKVDVWDQBD-UHFFFAOYSA-N;129.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180369;MM180369;N=c1oc(=O)n(N)n1O;VTECOXSZDQGODD-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180370;MM180370;CN(O)C(=NO)NC=O;IWODXARQQJKKCZ-UHFFFAOYSA-N;133.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180371;MM180371;CN1CC(=NN)CC1=O;KEOAYKYAKSYTHH-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180372;MM180372;C#CC1CNC(=O)N1N;RUKVCUUBCNUHQS-UHFFFAOYSA-N;125.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180373;MM180373;C#CCC(=CF)C(C)C;PYJMJUYIYOBNRO-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180374;MM180374;C#CCC(=CF)C(C)N;UDPCQTLREXXFJR-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180375;MM180375;C#CCC(=CF)C(C)F;IOMRINZTSDKKQT-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180376;MM180376;C#CCC(=NN)C(C)C;NLSIIGMFNSPCHE-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180377;MM180377;COc1nc(CC#N)n[nH]1;QPOWPQBCBIPUON-UHFFFAOYSA-N;138.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180378;MM180378;C=C(C)C(=CC)CCN;BPRXHKGTPQHGOF-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180379;MM180379;C=C(C)C(=CF)CCO;KEEJVOBSSPWSGA-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180380;MM180380;C=C(C)C(=CF)CCF;KLHSDDUJJXVOTG-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180381;MM180381;CC=C(CCC)C(C)=O;WCVGTSCPVYFPRG-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180382;MM180382;CC=C(CCF)C(C)=O;QIVMMPBBOMNNIV-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180383;MM180383;CCCC(=CN)C(C)=O;LLAWEXYHVOGUMA-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180384;MM180384;CC(=O)C(=CF)CCF;ZNZADINTAHMKHM-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180385;MM180385;CC=C(CCN)C(=N)N;CSLCPCUNESOMCS-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180386;MM180386;CC=C(CCF)C(=N)N;BWFCMUXGCXLVRG-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180387;MM180387;CCCC(=CF)C(=N)N;RQNITBZYOBUDRV-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180388;MM180388;CC=C(CCN)C(N)=O;DZXNRTAFHMDNJC-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180389;MM180389;N=CN1N=CC2(O)CC12;ASRXQISFZWZIHM-UHFFFAOYSA-N;125.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180390;MM180390;C=C(C#CCO)C1CN1;RBGNVRXQCAOXEO-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180391;MM180391;CC(=O)NNCC(C)(C)C;XJNBJYZLYAKBRE-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180392;MM180392;NC(=O)C(=CF)CCF;DBOBHZPQCVCCTG-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180393;MM180393;CC=C(CCC)C(=O)O;XHZSXTQKJBTXME-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180394;MM180394;Nn1c(=O)ncn(O)c1=O;QAFCHOSAUHIJIY-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP5";;;;;;;-3.17;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180395;MM180395;O=C(O)C(=CF)CCF;RGLZCOPJZLQMAT-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180396;MM180396;C=C(F)C(=CC)CCN;MJNXNQTZXDCEHZ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180397;MM180397;C=C(C)C(=CC)CNC;OOGIYCIMBVROQC-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180398;MM180398;C=C(C)C(=CF)CNC;LJSMQYUCVINTBM-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180399;MM180399;CNCC(=CN)C(C)=O;BWLJDAADKSWTIE-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180400;MM180400;CNCC(=CF)C(C)=O;DNMDNUUDUOXFJU-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180401;MM180401;CC=C(CNC)C(N)=O;VVBBDKGZKFWIMF-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180402;MM180402;C=C(F)C(=CC)CNC;JKNGZDRIEUQSHT-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180403;MM180403;CC=C(COC)C(C)=O;IWRKWPNJVVBMAM-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180404;MM180404;CC=C(COC)C(=N)N;MGUKSYKIVKYPCS-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180405;MM180405;COCC(=CF)C(=N)N;ZWSVBDGPWJOSMN-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180406;MM180406;COCC(=CF)C(N)=O;QJRGOMXVRMSDPF-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180407;MM180407;CN=c1[nH]n(C)c(=O)n1O;ZIHBXLDMIVWONG-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180408;MM180408;C=C(C)C(CCC)=NN;MRYHYTUBDAQZMO-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180409;MM180409;C=C(C)C(CCF)=NN;WQHRMUXLEVYOAI-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180410;MM180410;CCC(C)(O)C#CC=NN;UTYCNNXFZXSXGM-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180411;MM180411;CC(=NN)OCC(O)CF;WRTFQWSKOSVPLL-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180412;MM180412;NC(=O)C(CCO)=NO;VPLWYKJFUOACFT-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180413;MM180413;Cn1oc(=NO)[nH]c1=NO;ZLLSZWTZDXOUBN-UHFFFAOYSA-N;146.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180414;MM180414;CCN=C(NC)C(=N)N;XCJUSWZDWBFXNX-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180415;MM180415;CCC1(O)C=NN(C=N)C1;LYMJIEQBOHPSIZ-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180416;MM180416;Cn1c(O)nn(C=O)c1=N;GZEWWNWUENMTGN-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180417;MM180417;C=NOC(OC)C(O)CC;WGRSYHSXJLEWTK-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180418;MM180418;C#CC(O)C(C=NN)CC;KFXRPQGNNUBXAX-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180419;MM180419;CNN=C(NN)C(=N)N;GKJCHXRRSHPJTE-UHFFFAOYSA-N;130.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180420;MM180420;NNC(=NC=O)N(N)C=O;CGARJYDILMKHCX-UHFFFAOYSA-N;145.12;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180421;MM180421;C=C(F)C(=NOC)NC;UQXRQMFTRAKATB-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180422;MM180422;CC=C(OCC)C(=N)N;HFLLYHAHJOJVCW-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180423;MM180423;CCOC(=CF)C(=N)N;MVIOCNYYZQJKHN-UHFFFAOYSA-N;132.14;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180424;MM180424;CC=C(OCC)C(N)=O;GGFPXYUQEICJEC-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180425;MM180425;CCOC(=CN)C(N)=O;KGZXWHLBWHDPTD-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180426;MM180426;CCOC(=CF)C(N)=O;TVFUEXBMPXZXHT-UHFFFAOYSA-N;133.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180427;MM180427;C#CCn1cc(O)c(C)n1;LDCAXJMFGKIBFB-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180428;MM180428;CCOC(=NN)C(=N)N;UIMZFHVUBYBPLW-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180429;MM180429;CCOC(=NO)C(N)=O;XFSXJYQBPPYVSD-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180430;MM180430;Cc1c(F)n(O)n(N)c1=O;UXOABJSFESRDKI-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180431;MM180431;C=C(C)C(=CC)CC=O;PBQCWPJXQYQDHW-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180432;MM180432;C=C(C)C(=CF)CC=O;RPCWVEBUAHPMQR-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180433;MM180433;C=CCC(=CC)C(C)=O;KGTKEQDQJCZULB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180434;MM180434;CC=C(CC=O)C(C)=O;HGUOQMUXUBWLFX-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180435;MM180435;CC=C(CC#N)C(C)=O;JQDZYXJUYKVJPM-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180436;MM180436;C=CCC(=CN)C(C)=O;WDGCYENDIMUUHH-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180437;MM180437;CC(=O)C(=CF)CC#N;LNXZNWGNXDQQEO-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180438;MM180438;C=CCC(=CC)C(=N)N;XMUDUYMMOBJZFZ-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180439;MM180439;N#CCC(=CN)C(=N)N;QSPBODPMAGFPTR-UHFFFAOYSA-N;124.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180440;MM180440;C=CCC(=CF)C(=N)N;KOZDUTBJEHUITL-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180441;MM180441;CN=c1oc(=O)n(N)n1O;OVIWEQWXSDHTDF-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180442;MM180442;N#Cc1ncc(=N)n(O)n1;KNJGFWXVRBGWRV-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180443;MM180443;N=c1on(O)c(=NN)n1N;XZEZFANYPOCWSK-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180444;MM180444;CN=c1c(=N)n(O)on1N;FXVOIDWIJKBAIN-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180445;MM180445;N#CCC(=CF)C(N)=O;DZGUFNSUJLRMFM-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180446;MM180446;C=CCC(=CC)C(=O)O;JDHFSLPZJMIACE-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180447;MM180447;N=c1c(F)c(O)n(O)n1O;USNYVFSZEZZJIU-UHFFFAOYSA-N;149.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180448;MM180448;C=C(F)C(=CC)CC=O;DCIAJDPNGLICFH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180449;MM180449;C=C(F)C(=CF)CC=O;HCFGCSLUABMQKQ-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180450;MM180450;C=CCC(=NO)C(=C)C;DBFZTITYFZPQNY-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180451;MM180451;C=C(C)C(CC=O)=NO;JHDBSBGSONMRKU-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180452;MM180452;CN=c1oc(O)c(F)n1N;DPORGMIWKOJBDR-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180453;MM180453;CC=C(NC=N)C(=N)N;MCZGDBQPYMSFRH-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180454;MM180454;N=CNC(=CN)C(=N)N;QEXCEGXWESKLGO-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180455;MM180455;N=C(N)C(=CF)NC=O;DKJUXPKHMNRDMS-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180456;MM180456;CC=C(NC=O)C(N)=O;FIUAOVSAAZBJDM-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180457;MM180457;NC(=O)C(=CF)NC=O;URIFVNNGFOUCFG-UHFFFAOYSA-N;132.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180458;MM180458;C=C(C)C(=NC)NC=N;UXXZZYNWLBBHRQ-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180459;MM180459;N=c1c(=NN)n(N)on1O;BNTJKXVMHVYOEC-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180460;MM180460;C=CN=C(NC)C(=N)N;VCLYRHDSEDFPGA-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180461;MM180461;N=CNC(=NO)C(=N)N;LUCRFEMVUFINBE-UHFFFAOYSA-N;129.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180462;MM180462;CN=c1c(=N)n(N)on1O;SXWCERQRKBYLDU-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180463;MM180463;NN=C(NC=O)C(N)=O;FNUAGCQGLAKMNA-UHFFFAOYSA-N;130.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180464;MM180464;C=CNC(=NO)C(N)=O;KXMCWPDBRLWDLS-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180465;MM180465;N=c1c(=O)nc(O)[nH]n1N;HXLNMQUPJRVSCW-UHFFFAOYSA-N;143.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180466;MM180466;N=CN(O)C=NC(N)=O;GIOOROLBFXDXBT-UHFFFAOYSA-N;130.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180467;MM180467;C=CNC(=NO)C(=C)F;HCSKKCXGQHGOLB-UHFFFAOYSA-N;130.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180468;MM180468;C=C(F)C(=NO)NC=O;ZZOSWVNJJZWVBI-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180469;MM180469;C=NNC(=NC)C(=N)N;URCXWIJASPANHJ-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180470;MM180470;Cn1cn[nH]c(=N)ocn1;VOAWTPRMFSOZKE-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180471;MM180471;CN(C)C=CC(=O)NN;LYBXELUGAFHLHW-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180472;MM180472;CC=C(OC=O)C(C)=O;IVIRYSCHAHGTNC-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180473;MM180473;C=COC(=CC)C(=N)N;NIGQPTWVNOMJPZ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180474;MM180474;N=C(N)C(=CN)OC=O;ZXIUFGWSECZBFE-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180475;MM180475;C=COC(=CC)C(N)=O;IWCIKZHWBQCQMV-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180476;MM180476;CN=c1[nH]cnc(=NN)o1;OMHNHBFMDPORCI-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180477;MM180477;Nc1cn(O)c(=O)o1;NAQSCMHWKHVRNO-UHFFFAOYSA-N;116.08;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180478;MM180478;CC(C)=CCC(=O)NN;NIJGTXYIBNRLRG-UHFFFAOYSA-N;128.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180479;MM180479;Nn1c(=O)cc(F)n1O;NHUQKUUZDSFYOH-UHFFFAOYSA-N;133.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180480;MM180480;CCC1=NNC(C)C1O;MBCNNLBFVHBCOR-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180481;MM180481;C#CCC(=CF)C(=C)C;ZSGHMVBMGCHBHW-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180482;MM180482;C#CCC(=CC)C(C)=O;XZNCYHKIGYFVPD-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180483;MM180483;C#CCC(=CN)C(=N)N;ITSGTBVUKDHRRD-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180484;MM180484;C=Nn1cnc(CO)n1;GRCZGTSGXNFGMA-UHFFFAOYSA-N;126.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180485;MM180485;C#CCC(=CC)C(=O)O;NVPKHRIVHABSIC-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180486;MM180486;O=c1cc(F)cc(F)n1O;IYIHRIJSDQCJNW-UHFFFAOYSA-N;147.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180487;MM180487;C#CCC(=NO)C(=C)C;SXVFCLSGKKBNKK-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180488;MM180488;C#CCC(=NN)C(=N)N;LVHVMJFHNMFMCT-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180489;MM180489;C#CCC(=NN)C(=C)F;AANQUMKTZPMACS-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180490;MM180490;CC(C)C(C=CF)=CF;UDNPQXMYEQJJMD-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180491;MM180491;CC=C(C=CF)C(C)N;AZJFIOBVTZQCSR-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180492;MM180492;CC=CC(=CF)C(C)N;GKHUQMYVZTZYIA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180493;MM180493;CC(N)C(C=CF)=CF;GAOPWNVHKLPZQP-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180494;MM180494;CC(F)C(C=CF)=CF;CNEGCQRONRTDQO-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180495;MM180495;CC=C(C=NN)C(C)C;PJIHXVLERIQELX-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180496;MM180496;CCC=CCNNC=O;MGLVHXDGKYPPDU-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180497;MM180497;C=NOC1C(O)C1C#N;VSVXAEDQYMPRSI-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180498;MM180498;CC(C)C(C=NN)=CF;RJBWWJDDAPOAPO-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180499;MM180499;CC(N)C(C=NO)=CF;TZFJQUZBRLOTFO-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180500;MM180500;CC(F)C(C=NN)=CF;SIWVIYQFBVDECI-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180501;MM180501;CC=CC(=NN)C(C)C;PEENUYZGOIKACC-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180502;MM180502;CC(C)C(C=CF)=NN;GFNKYRAUDSNDBJ-UHFFFAOYSA-N;130.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180503;MM180503;CC(=O)NNCCC(C)C;CPMJVTLUCFCWOH-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180504;MM180504;CNNC(=O)CCC(C)C;FUNXQEUKKFLPIY-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180505;MM180505;CC(C)C(C=CF)=NO;VLEBBMOZXXVITK-UHFFFAOYSA-N;131.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180506;MM180506;Cc1cc(=O)n(O)nn1;FWZKJVMAXNOXLU-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180507;MM180507;CCC(C)CNNC(C)=O;GVMAUDCOEHROSX-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180508;MM180508;CC(O)C(C=NO)=NN;CXKMABHIDHORSG-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180509;MM180509;CN=C(C=CN)N(C)C;VIPCFHLCAMVLQY-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180510;MM180510;CCC(C)CC(=O)NNC;KHMHSXBGBDCPOY-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180511;MM180511;CN(O)C(C=CF)=NO;AQDZADJALZMQMC-UHFFFAOYSA-N;134.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180512;MM180512;C#CC1(O)CC(NN=C)C1;NPIFAGCHCIMWHS-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180513;MM180513;CCCCCNNC(C)=O;KDWKLFRZKIAIJV-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180514;MM180514;CCCCCN(C)NC=O;BDYIMXWGLDRBGO-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180515;MM180515;CN(O)C(C=NO)=NN;IRPBUNLRMOKPGA-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180516;MM180516;CN(O)C(C=NN)=NO;NGRDOTWEWNKLJD-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180517;MM180517;CN(O)C(C=NO)=NO;VRVQTWKUDVOAFI-UHFFFAOYSA-N;133.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180518;MM180518;CC=CC(=CC)C(C)=O;OQJCLCKEMHKFEI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180519;MM180519;CC=C(C=CF)C(C)=O;JXWBDEMBIUCGLV-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180520;MM180520;CC=CC(=CN)C(C)=O;MNIZTTCZGWFSEL-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180521;MM180521;CC=CC(=CF)C(C)=O;BWWDVHLXZSIIKC-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180522;MM180522;CC=CC(=CC)C(=N)N;AESKUADGCKHGOR-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180523;MM180523;CC=C(C=CF)C(=N)N;UTZOYBHTJUQILK-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180524;MM180524;CCCCCC(=O)NNC;QRFXYBWATOFILJ-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180525;MM180525;CC=CC(=O)NNCCC;RFOZEKBIDZHTQR-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180526;MM180526;CC(F)C(=N)N(C)NC=O;FSAKNGNSXGUXNC-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180527;MM180527;CCN1CC1C(C)(O)CF;PSOYFPSYEWEDQJ-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180528;MM180528;CC=CC(=CC)C(=O)O;ZZKDXEMXOLSEMB-UHFFFAOYSA-N;126.16;1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180529;MM180529;CC=C(C=NO)C(C)=O;UXVVJTXSEUSZJT-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180530;MM180530;C=CC(O)C(F)C(=N)NO;PPGKFDOUALABIJ-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180531;MM180531;N=CC(=CNO)C(N)=O;JYMNZASOOGHFFO-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180532;MM180532;CC=CC(=NO)C(C)=O;OZRRXYQWVCRMCN-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180533;MM180533;N=C(N)C(C=CF)=NN;NRKMVHALTFLWEB-UHFFFAOYSA-N;130.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180534;MM180534;N=C(N)C(C=CN)=NO;AYCUYGAKVJWHGK-UHFFFAOYSA-N;128.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180535;MM180535;CON=CNNC(=O)OC;JKJPPCIOQUZTQD-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180536;MM180536;N=CC=C(NO)C(N)=O;WDIGWWGCMRJIAW-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180537;MM180537;N=C(N)C(C=NN)=NN;UXKDTAWNLQJXSS-UHFFFAOYSA-N;128.14;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180538;MM180538;C#CC(O)C=CC=NNC;DZUWZIGTDFFPGS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180539;MM180539;CCC(=CNC)C(=O)NN;MUXARORDZXVPCY-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180540;MM180540;NC(=O)C(=CNO)N=O;HJGDUIULWBCKAU-UHFFFAOYSA-N;131.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180541;MM180541;CCc1cc(=O)n(O)nn1;LBXALIUPWADZLK-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180542;MM180542;CC#CC(=CC)C(C)C;YXUTUHNGKWYKOD-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180543;MM180543;C=C(C)C(C#CC)=CC;DBSQLZWKOSYUAZ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180544;MM180544;CC#CC(=CF)C(C)=O;CJOHOQMOKATQDH-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180545;MM180545;CC#CC(=CN)C(=N)N;QNSSHMNIQWBHOJ-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180546;MM180546;CC#CC(=CN)C(N)=O;FVFNCKJJNGTUCW-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180547;MM180547;CCC=C(CN)C(C)C;SHQFBLBGVBWBSV-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180548;MM180548;CCC(=CCO)C(C)N;VRVCSGKEVISBNP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180549;MM180549;CCC=C(CO)C(C)N;XHIDDZGCXXOKPY-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180550;MM180550;CCC=C(CN)C(C)O;WYAIADUVYAQWNS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180551;MM180551;CC(O)C(=CCF)CN;DMNFHAKGVKYHJE-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180552;MM180552;CCC=C(CO)C(C)O;HKGJDNWDASCKDW-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180553;MM180553;CC(O)C(=CCO)CO;BOVSIHQYVWGZCA-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180554;MM180554;CCC(=CCN)C(C)F;VHCCEPRKWPQLLN-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180555;MM180555;CCC=C(CN)C(C)F;UXMDJCSVSXBUMY-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180556;MM180556;CC(F)C(=CCF)CN;UGGLVMZLEHZSHM-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180557;MM180557;CC(F)C(=CCN)CF;BAABHQZQKRRUDH-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180558;MM180558;CCC(=CCN)C(F)F;MEVMWCLCDULINW-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180559;MM180559;NCC=C(CO)C(F)F;WTVONUNKPFFWOD-UHFFFAOYSA-N;137.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180560;MM180560;COC(=CCN)C(C)N;NHKXMBNQOQTHME-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180561;MM180561;COC(=CCN)C(F)F;WTPALTNVPQCFMB-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180562;MM180562;COC=C(OC)C(C)F;CKQJIQHNAAVCPY-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180563;MM180563;COC=C(OC)C(F)F;IAVCJFXEGXWRSV-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180564;MM180564;CCC(=NNC)C(C)C;DSYHHOBQDPXTIO-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180565;MM180565;CNN=C(CF)C(C)C;LKODJBCCJNZEFH-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180566;MM180566;N=c1c(N)c(F)n(O)n1N;ZFAIAYMZITUMQK-UHFFFAOYSA-N;147.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180567;MM180567;N=c1c(=N)n(O)ncn1N;QFRPRJWOGSXEOP-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180568;MM180568;CON=C(CF)C(C)C;PUVUHOLMRJXXDX-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180569;MM180569;CON=C(CO)C(C)N;OFZZEKZEWWWTAB-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180570;MM180570;CON=C(CF)C(C)N;UZPIDTBDTRFSNP-UHFFFAOYSA-N;134.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180571;MM180571;CON=C(CN)C(C)O;BEHMSYSQAVEQLB-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180572;MM180572;Cc1c(N)c(=N)nnn1O;SERQRVXEMVHFCN-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180573;MM180573;N=c1oc(=NN)n(O)n1N;QVVNWWJKUURNRQ-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180574;MM180574;CCN=C(CO)N(C)N;XZSVVDSBQIEDFO-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180575;MM180575;CCN=C(CF)N(C)N;IAMPAPBULHJAFR-UHFFFAOYSA-N;133.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180576;MM180576;COc1nc(=O)n(N)n1O;FNKZNLAVPJYCPH-UHFFFAOYSA-N;146.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180577;MM180577;CNN=C(CN)N(C)C;QKTOOMWCWAWOKR-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180578;MM180578;CNN=C(CO)N(C)C;BTSZTBOAXVLXFJ-UHFFFAOYSA-N;131.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180579;MM180579;C#CCC(O)C(=NN)NO;KFGQTHDLQVLGIB-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180580;MM180580;N=c1cnc(C=O)nn1O;CVSCBJRGPFWNOK-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180581;MM180581;CCC(=NOC)N(C)N;AHBDZDKNYBEOGW-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180582;MM180582;CCNc1c[nH]c(C=O)n1;WADKWRZSLMGKCZ-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180583;MM180583;CCN=C(NC)N(C)C;QEMTVPIFWZHPNF-UHFFFAOYSA-N;129.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180584;MM180584;CCN=C(NO)N(C)N;JGODGFZTPLOTKY-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180585;MM180585;CCN=C(NN)N(C)O;URJBDCITZDRTRB-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180586;MM180586;CNN=C(NN)N(C)C;JQGUHEXIZLPONI-UHFFFAOYSA-N;131.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180587;MM180587;CNN=C(NO)N(C)C;UKPKBALKXXTAIB-UHFFFAOYSA-N;132.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180588;MM180588;CNN=C(NC)N(C)N;XLYZRWFFTUJVSU-UHFFFAOYSA-N;131.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180589;MM180589;CNN=C(NC)N(C)O;IMOZMWFAOSPAHT-UHFFFAOYSA-N;132.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180590;MM180590;CCN=C(OC)N(C)C;UHBLLDCGHDLBLI-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180591;MM180591;CCNc1cc(C=O)[nH]n1;DTUJWRLWFCZYPZ-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180592;MM180592;CCC(=CC#N)C(C)C;GDWWUKWQFUQROC-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180593;MM180593;C=CC=C(CN)C(C)C;IDGZAYXFUIWIOE-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180594;MM180594;CC(C)C(=CC#N)CO;KAOCGIXRRQFMOK-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180595;MM180595;CC(C)C(=CC=O)CF;JPOZRBQYGWQFMA-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180596;MM180596;CC(C)C(=CC#N)CF;DHYHVOUUEXRDLQ-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180597;MM180597;CC(O)C(=CC=O)CO;SCVNZNBGJBTONY-UHFFFAOYSA-N;130.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180598;MM180598;CC(F)C(=CC=O)CF;YYLHAQWYVVGDND-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180599;MM180599;COC(=CC=O)C(C)O;CHHGOLBXLNFHRH-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180600;MM180600;COC(=CC#N)C(C)F;AUSYBGYUTMNKNY-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180601;MM180601;COC(=CC#N)C(F)F;XQYJQESSPGVYNI-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180602;MM180602;C=NN=C(CC)C(C)C;UEXVPGDBZMVCDO-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180603;MM180603;C=NN=C(CF)C(C)C;BJYHBXIJIVASQG-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180604;MM180604;C=NN=C(CC)C(C)F;HDOMKDYNADUHLF-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180605;MM180605;C=NN=C(OC)C(C)F;GTCNHGWTRHORJS-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180606;MM180606;C=NN=C(OC)C(F)F;UJEYWLFNFPUEGX-UHFFFAOYSA-N;136.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180607;MM180607;C#Cc1cc(=NN)on1O;XNMMMDJNUZJOCM-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180608;MM180608;CN(C)C(CO)=NC=N;LJQKRELPYZIDPR-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180609;MM180609;C#Cc1[nH]nc(NO)c1N;CBNVHIDYEBWGLY-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180610;MM180610;CN(N)C(CF)=NC=O;CPLGASKVZPQQAP-UHFFFAOYSA-N;133.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180611;MM180611;CN(C)C(=NC=N)NN;HSDNFIYFYFDQQS-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180612;MM180612;CN(C)C(=NC=O)NN;DLGXQAMIARSUAG-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180613;MM180613;CN(C)C(=NC=N)NO;NMKATXNFNHMVOP-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180614;MM180614;CNC(=NC=N)N(C)N;SQXPBHSCTIUKRU-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180615;MM180615;CNC(=NC=O)N(C)N;UHJLVWFKYRSDLY-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180616;MM180616;CNC(=NC=N)N(C)O;FMWNECKFTRCAAL-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180617;MM180617;CNn1cc2nnnc-2[nH]1;NJJKKOPLNAWACO-UHFFFAOYSA-N;138.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180618;MM180618;C#CC=C(CO)C(F)F;NZGXHAQBUSYJBS-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180619;MM180619;C#CC=C(OC)C(C)N;LBWFQHQAMNBEHP-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180620;MM180620;C=CC(=CCO)C(C)C;BYBSJMOEPGXOQY-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180621;MM180621;CCC=C(C#N)C(C)C;POEFFQRVGVVBEZ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180622;MM180622;CC(C)C(C=O)=CCO;WFBPRBCRIQFHPE-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180623;MM180623;CC(C)C(C#N)=CCO;NOIAOTGSFZDFHM-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180624;MM180624;C=CC(=CCO)C(C)N;MUZZDKLWZMJPOI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180625;MM180625;C=CC(=CCO)C(F)F;GHERTIRTXJNOCN-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180626;MM180626;CNC=C(C=O)C(C)C;POMMSGFGACNXEY-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180627;MM180627;COC1=CCC(=NN)C=C1;QAUSGKBSQBXZFY-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180628;MM180628;COC=C(C=O)C(C)O;STZLZYDXAHTHLC-UHFFFAOYSA-N;130.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180629;MM180629;COC=C(C#N)C(F)F;GJXVXCPXMNULLH-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180630;MM180630;C=CC(=NNC)C(C)C;TVJACEITKFJXSD-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180631;MM180631;CNN=C(C=O)C(C)O;YCCFHDUPQKUCMO-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180632;MM180632;CNN=C(C=O)C(F)F;DITRVLJTCRQDJY-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180633;MM180633;CNN=C(C#N)C(F)F;TYIBKYKZZBSLCE-UHFFFAOYSA-N;133.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180634;MM180634;CON=C(C#N)C(F)F;ZWODNLVSDFQUDZ-UHFFFAOYSA-N;134.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180635;MM180635;CCN=C(C=O)N(C)C;CBRXGBLUWWAYKT-UHFFFAOYSA-N;128.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180636;MM180636;CCN=C(C#N)N(C)C;FCKGIJWIAUYAPF-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180637;MM180637;C=CC(=NCC)N(C)O;KQCQPXJTRROYFF-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180638;MM180638;C=CC(=NNC)N(C)C;VCWHVKIULGVCFT-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180639;MM180639;CON=C(C=O)N(C)C;GKCFJGIAFFUEQV-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180640;MM180640;CC1=NNC(C)C1O;GOAIBGDKXXSMBM-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180641;MM180641;C=CC(=CC#N)C(C)C;HMOLMJZOLFOCIX-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180642;MM180642;CC(C)C(C#N)=CC=O;OMWYYSBLLYNYCF-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180643;MM180643;CC(C)C(C=O)=CC#N;OWYJWHXSYXCPFN-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180644;MM180644;CC(C)C(C#N)=CC#N;AVPBOZJGFGLORA-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180645;MM180645;C=CC(=CC#N)C(C)O;IRHIEDIVGNAICA-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180646;MM180646;C=CC=C(C=C)C(C)F;JDKSWLYDMLMCJM-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180647;MM180647;C=CC(=CC=O)C(C)F;QNGMJTCDYSYMNA-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180648;MM180648;C=CC(=NN=C)C(C)C;DVYHVGNAVKRDPC-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180649;MM180649;C=NN=C(C#N)C(C)O;BWLNMYKBWQTAHM-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180650;MM180650;C=NN=C(C#N)C(F)F;BKHGHUIWLLINPH-UHFFFAOYSA-N;131.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180651;MM180651;C=CC(=NN=C)N(C)N;WORQXACYIDJKMW-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180652;MM180652;C#CC=C(C#N)C(C)O;FIEFBZSOWZAECQ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180653;MM180653;C#CC(=CCC)C(C)C;YOQVMYCSQLHJDU-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180654;MM180654;C#CC(=CCO)C(C)C;HVGSVTHJCTYZOW-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180655;MM180655;C#CC(=CCN)C(C)N;FGZOENWVDOBXNU-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180656;MM180656;C#CC(=CCF)C(C)N;KKHXDAYIFXAIFP-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180657;MM180657;C#CC(=CCF)C(C)O;GRXYQLBWVJMQTK-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180658;MM180658;C#CC(=COC)C(C)N;MDUUBZCPUGHZER-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180659;MM180659;C#CC(=COC)C(C)O;BUHOPRMZQZPHGN-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180660;MM180660;C#CC(=NNC)C(C)F;IWKYOSQQQPUSML-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180661;MM180661;C#CC(=NCC)N(C)C;WFDZQLHHTKSVQU-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180662;MM180662;C#CC(=CC=C)C(C)C;KPBMUCYCERDMMC-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180663;MM180663;C#CC(=CC=O)C(C)C;AJUPSWLEYAVLTN-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180664;MM180664;C#CC(=CC#N)C(C)C;LBIQXJUUKKKHOZ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180665;MM180665;C#CC(=CC#N)C(C)O;VKDLCSHBIUCHTB-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180666;MM180666;C#CC(=CC=O)C(C)F;GOIFCYUINRELRZ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180667;MM180667;C#CC(=NN=C)C(C)O;ZXWBQYBJQQQASX-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180668;MM180668;C#CC(=NN=C)N(C)C;JDBDFUKIJFXLMK-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180669;MM180669;C#CC=C(C#C)C(C)C;NTDXUGJFLUBBPE-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180670;MM180670;C#CC=C(C#C)C(C)N;GYBJWVLZPRZUDS-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180671;MM180671;C#CC=C(C#C)C(C)O;DKYLVVFUNBQTIU-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180672;MM180672;C=C(C)C(=CCO)CN;MRSBKGZVQLSTEP-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180673;MM180673;CC(=O)C(=CCF)CF;OVOAKHAUWKSQSD-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180674;MM180674;CCC(=CCN)C(=N)N;YFETZRBTTZNQIZ-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180675;MM180675;CCC(=CCO)C(=N)N;VUQXXDUFXWVACE-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180676;MM180676;CCC(=CCF)C(=N)N;PZUHBGMAPYXLPN-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180677;MM180677;CCC=C(CN)C(=N)N;WPZDLJBBODSOEW-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180678;MM180678;N=C(N)C(=CCF)CN;HWNIWAFGEOCTQF-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180679;MM180679;CCC=C(CO)C(=N)N;NXPRFYJNZNDDJY-UHFFFAOYSA-N;128.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180680;MM180680;N=C(N)C(=CCO)CO;ABPCCWHVVYZXPT-UHFFFAOYSA-N;130.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180681;MM180681;NC(=O)C(=O)C1CN1;QQAMFSVOIUXMCW-UHFFFAOYSA-N;114.1;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180682;MM180682;CCC=C(CN)C(N)=O;TWTRSAWUBKYISG-UHFFFAOYSA-N;128.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180683;MM180683;CCC=C(CO)C(N)=O;KDPQZIMLJLUUEJ-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180684;MM180684;NCC=C(CO)C(N)=O;NXZDPBAEBDFBSU-UHFFFAOYSA-N;130.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180685;MM180685;NC(=O)C(=CCO)CO;GJWMDPMZPAMSET-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180686;MM180686;CCC=C(CC)C(=O)O;NEYTTWNDEATJBU-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180687;MM180687;O=CNc1oc(=O)oc1O;IQOHNQJRKROSDY-UHFFFAOYSA-N;145.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180688;MM180688;Cc1nc(F)cc(=O)n1O;BJQDUQCBRBMLBR-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180689;MM180689;C=C(F)C(=CCN)CN;NSERXRYDVQESJK-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180690;MM180690;C=C(F)C(=CCN)CO;JUSORLXNEYNXLE-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180691;MM180691;C=C(F)C(=CCO)CO;BMEMJCBUEXREHB-UHFFFAOYSA-N;132.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180692;MM180692;CNC=C(CF)C(C)=O;RETWUEKEXGBFIL-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180693;MM180693;CCC(=CNC)C(=N)N;WZZJSBZKLCJHQG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180694;MM180694;CNC=C(CO)C(N)=O;ZMZNKVOQEPCFGL-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180695;MM180695;CCC(=COC)C(=N)N;YRPBTYNEKQXAQQ-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180696;MM180696;COC=C(CO)C(=N)N;UGHXBLQMHNFUEP-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180697;MM180697;COC=C(CO)C(N)=O;KNFPLYGLQDTBKM-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180698;MM180698;CCC=C(OC)C(=N)N;MMJIODZYCVRFJH-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180699;MM180699;COC(=CCN)C(=N)N;ZCRFXSVLKDIYSD-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180700;MM180700;COC(=CCO)C(=N)N;ZDJVFIQCUJQVRF-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180701;MM180701;COC(=CCF)C(=N)N;XMLXHAJHOKHOLA-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180702;MM180702;CCC=C(OC)C(N)=O;OMHICTOJXQUDQC-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180703;MM180703;C=C(F)C(=CCO)OC;IHMDLOCDKZTMQS-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180704;MM180704;CNC=C(OC)C(=N)N;QWRNTVPVGWTKSD-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180705;MM180705;CNC=C(OC)C(N)=O;QSQUZQOSTTWJLR-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180706;MM180706;Cc1nc(=N)[nH]c(=O)o1;FYIORMKLIDAPGR-UHFFFAOYSA-N;127.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180707;MM180707;C=C(C)C(=COC)OC;OFFKJXPTHQNTGU-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180708;MM180708;C=C(F)C(=COC)OC;WDOSOCZOKXTILG-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180709;MM180709;CNN=C(CF)C(=N)N;CRAFZBLEPVEBMT-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180710;MM180710;CNN=C(CF)C(N)=O;JEOKRUYGWUMQGP-UHFFFAOYSA-N;133.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180711;MM180711;O=c1nc2n(nc1O)CC2;FNZMISXCVKIUBI-UHFFFAOYSA-N;139.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180712;MM180712;C=C(F)C(CC)=NNC;LCAZHXOQGYYWGT-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180713;MM180713;CCC1(O)C=NN(C)C1;NJFGRZZPEFKBSV-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180714;MM180714;CON=C(CO)C(N)=O;CWVVGXOAHPNGEU-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180715;MM180715;N#Cc1nc(=O)n(O)n1O;WNOBMGSCCPDGDZ-UHFFFAOYSA-N;142.07;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180716;MM180716;N=c1nnn(O)c(O)c1O;ZXTXNAMQTWKPEA-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180717;MM180717;C=C(F)C(=NOC)OC;JQEWFLCUZUKEBV-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180718;MM180718;C=C(C)C(=CC#N)CC;PLFPUBJJXOVVTG-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180719;MM180719;C=CC=C(CN)C(=C)C;RNVHARSPKMQYQC-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180720;MM180720;C=C(C)C(=CC=O)CO;ZBLMMSYJDDERHP-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180721;MM180721;C=C(C)C(=CC#N)CO;RSJGXWZBPCXGNX-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180722;MM180722;C=C(C)C(=CC=O)CF;DYAGNHGWGHPIBF-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180723;MM180723;C=CC=C(CC)C(C)=O;ITHVPBHOSABPEA-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180724;MM180724;CCC(=CC#N)C(C)=O;TXUDPFSEHWFINH-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180725;MM180725;C=CC=C(CO)C(C)=O;XMVNRMQJHYMLOZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180726;MM180726;CC(=O)C(=CC#N)CO;YTRXJRWZPHDDCK-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180727;MM180727;C=CC=C(CF)C(C)=O;NQWIHSAEGNPUSB-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180728;MM180728;CC(=O)C(=CC#N)CF;UFTYJZLIKCIAQM-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180729;MM180729;N=C(N)C(=CC=O)CO;LGBNVMCHJJOHTH-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180730;MM180730;C=CC=C(CF)C(=N)N;FVCMJZMHVHCCLQ-UHFFFAOYSA-N;128.15;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180731;MM180731;N=C(N)C(=CC=O)CF;UIYYWAZGELVDFM-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180732;MM180732;CN(C)N=CNNC=O;ZTYCOHYVDBTCFS-UHFFFAOYSA-N;130.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180733;MM180733;C=CC=C(CN)C(N)=O;JWAGYQSXIOPTBV-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180734;MM180734;C=NOCC(O)C=NN;AWRCJMNZGGISOD-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180735;MM180735;NC(=O)C(=CC=O)CF;OWJDRVDCHPGVTM-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180736;MM180736;O=c1oc(CO)cn1O;IDTXAYSRANTBAC-UHFFFAOYSA-N;131.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180737;MM180737;Cc1nn(N)c(=O)n1O;YDBRUBZNIAOGKQ-UHFFFAOYSA-N;130.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180738;MM180738;C=CC=C(CN)C(=C)F;RDJVXDFAHZDRAW-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180739;MM180739;C=C(F)C(=CC=O)CO;CDHYIQVYRUKVMT-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180740;MM180740;C=C(F)C(=CC=O)CF;QSOTVIITMVJIRV-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180741;MM180741;C=C(C)C(=CC=O)NC;USYKUOQVZWMBME-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180742;MM180742;C=NNc1cnn(C)n1;ISVXQINONRRPSC-UHFFFAOYSA-N;125.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180743;MM180743;C=CC=C(OC)C(=N)N;XVUAUZGOCPHSEO-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180744;MM180744;C=CC=C(OC)C(N)=O;ZLPRXOGBWVIAFY-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180745;MM180745;C=NN=C(CO)C(=C)F;LPUSBESEHKHACM-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180746;MM180746;C=NN=C(OC)C(C)=O;BSKIFGGEZHKBHU-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180747;MM180747;C=NN=C(OC)C(=C)F;DRTWWKMRGHMKKQ-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180748;MM180748;C#CC=C(CO)C(C)=O;FMMAIEWVXBTUJA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180749;MM180749;C#CC=C(CN)C(=N)N;OTOYVUOJFRYAQC-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180750;MM180750;C#CC=C(CO)C(=N)N;OMZCCLHNFJQVMH-UHFFFAOYSA-N;124.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180751;MM180751;C#CC=C(CF)C(=N)N;MYXULSPLEGLGEG-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180752;MM180752;C#CC=C(CO)C(N)=O;OCXKZQFZFBANSJ-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180753;MM180753;C#CC=C(OC)C(=C)C;USQXWETURXLNGF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180754;MM180754;C=CC(O)CC(C#N)=NO;NHZXBZQCLXEZGV-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180755;MM180755;C=CC(=CCC)C(=C)C;RUYYYRXKUWIFHT-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180756;MM180756;C=CC(=CCC)C(C)=O;AUQCOYWGLJSXRM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180757;MM180757;CCC=C(C#N)C(C)=O;AUOYYNRQZJSCIR-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180758;MM180758;CC(=O)C(C=O)=CCF;FFIYQKVUGAHQPM-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180759;MM180759;CCC=C(C=O)C(=N)N;BMZXSQDSIFHYCC-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180760;MM180760;N#CC(=CCO)C(=N)N;IJEMUVNCKLOEGI-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180761;MM180761;N=C(N)C(C=O)=CCF;HAMVMSCPFZRKBX-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180762;MM180762;NC(=O)C(C=O)=CCF;XVKWYJNIVFQLAP-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180763;MM180763;C=CC(=CCO)C(=C)F;VTMTVFWCZPZOBU-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180764;MM180764;C=C(F)C(C=O)=CCO;WSBILDJHUOAYHF-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180765;MM180765;C=C(C)C(C=O)=CNC;ICXRFLSUQOXQPI-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180766;MM180766;CNC=C(C=O)C(C)=O;AMDQMJXABMCFAH-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180767;MM180767;CNC=C(C#N)C(=N)N;HMICSKZBLXGONN-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180768;MM180768;CNC=C(C#N)C(N)=O;YUJZWRMOSUXERX-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180769;MM180769;COC=C(C=O)C(=N)N;POEPJDBWHDDLKN-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180770;MM180770;COC=C(C=O)C(N)=O;ZZVPXEPPCIJDLA-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180771;MM180771;C=CC(=NNC)C(=C)C;VDQKRHNIXQOVNX-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180772;MM180772;C=CC(=NNC)C(=C)F;RGOQQOSPAIDCSN-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180773;MM180773;C#CCc1nc(N)n[nH]1;IKAFOYMBQQDHGS-UHFFFAOYSA-N;122.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180774;MM180774;CNc1cc(C=O)[nH]n1;BPONFYNOUYEHHC-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180775;MM180775;C=C(F)C(C#N)=NOC;BIKONBXGXWWGBA-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180776;MM180776;C=CC=C(C#N)C(=C)C;ITAHTYVGXFCKMF-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180777;MM180777;C=C(C)C(C=O)=CC#N;DXGCOJRUTNEMCH-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180778;MM180778;C=C(C)C(C#N)=CC#N;UUWBMAXMLCRJCA-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180779;MM180779;C=CC(=CC=O)C(C)=O;INECGVMRZMDEHP-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180780;MM180780;C=CC(=CC#N)C(C)=O;WRZZKRFDISTIEQ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180781;MM180781;C=CC=C(C=O)C(C)=O;MOKYAPRCFFIAGZ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180782;MM180782;CC(=O)C(C#N)=CC=O;QUGVNKZMXPVDHA-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180783;MM180783;OC1(CF)CC1N1CC1;FTHMXNJOPUMAPN-UHFFFAOYSA-N;131.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180784;MM180784;C=CC=C(C#N)C(N)=O;BQRGKBJMLGUTJO-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180785;MM180785;C=CC(=NN=C)C(=C)C;JVHVWCBRGPPGFW-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180786;MM180786;C=NN=C(C#N)C(C)=O;QIGCHAFJBLWCPJ-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180787;MM180787;CC(=N)n1ncn(O)c1=O;KANPZJWQOPQKQP-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180788;MM180788;C=NN=C(C#N)C(=C)F;OACGFBQBWAWLLT-UHFFFAOYSA-N;125.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180789;MM180789;C#CC=C(C#N)C(=C)C;XVATUQIKDKNWOX-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180790;MM180790;C#CC=C(C=C)C(=N)N;IOSLCUMPFHXVMI-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180791;MM180791;CCNN=CNNC=O;JBOPRXDEJLQFNV-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180792;MM180792;C#CC=C(C#N)C(=O)O;BLQURGCQLUHKPD-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180793;MM180793;C#CC(=CCO)C(=C)C;ZFPMDLOBNAIXNC-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180794;MM180794;C#CC(=CCF)C(=C)C;WTLKMPMGNIRDAA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180795;MM180795;C#CC(=CCC)C(=N)N;XPBDUHOFYFBXAL-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180796;MM180796;C#CC(=CCN)C(=N)N;UXIVFRXNINLJRF-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180797;MM180797;C#CC(=CCF)C(=N)N;PFNOHEXSHWZHTP-UHFFFAOYSA-N;126.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180798;MM180798;CCC(O)C(=O)C1CN1;OFXRKPAUYPHOBF-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180799;MM180799;C#CC(=CCN)C(N)=O;AVESRLAFPITVTD-UHFFFAOYSA-N;124.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180800;MM180800;C#CC(=CCF)C(N)=O;XKCKUALGCZUHQD-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180801;MM180801;C#CC(=CCN)C(=C)F;ZMUNCUOIGXHPPS-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180802;MM180802;C#CC(=CNC)C(=N)N;OKDBZHWPCQEFOO-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180803;MM180803;C#CC(=CNC)C(N)=O;VYPDBSZGRKLONV-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180804;MM180804;Nc1nc(O)n(O)n1;FGSPXVZINORQIB-UHFFFAOYSA-N;116.08;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180805;MM180805;C#CC(=COC)C(=C)C;UOCJJLNKZPRBMM-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180806;MM180806;CC(=N)n1oc(=O)[nH]c1=O;DLDQFDSFNWZTKK-UHFFFAOYSA-N;143.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180807;MM180807;C#CC(=NNC)C(=C)F;DJOITQHOGLJJID-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180808;MM180808;N#CCC(O)(C=O)C=NO;YXSPIZGPTNHODO-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180809;MM180809;C#CC(=CC#N)C(=C)C;OISVBNCMVVFZDI-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180810;MM180810;C#CC(=CC#N)C(C)=O;LUFZPHPZHCQKLI-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180811;MM180811;C#CC(=CC=C)C(=N)N;MEKQDNPIRAZMKF-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180812;MM180812;CC(C)=CC(C)NNC=O;FKVLPUHFHZOOFQ-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180813;MM180813;C#CC(=CC#N)C(=O)O;ZRUCHHFDHJGZCJ-UHFFFAOYSA-N;121.1;0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180814;MM180814;C#CC(=NN=C)C(=C)F;AQJCAMOUWPISNF-UHFFFAOYSA-N;124.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180815;MM180815;C#CC=C(C#C)C(=N)N;GNMRHDWNUSOOBF-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180816;MM180816;C#CC=C(C#C)C(N)=O;ZTXJMYOALXZLLP-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180817;MM180817;CC(C)=C(CN)CCF;GGWHBMLABHAWER-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180818;MM180818;CC(C)=C(CF)CCO;XZVLCINZDJUWRE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180819;MM180819;CC(C)=C(CF)CCF;LIJXHCYOUWJVDL-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180820;MM180820;CCCC(CN)=C(C)F;DYVWSLDOVCWBKE-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180821;MM180821;CC(F)=C(CO)CCN;OUUMHOOATARWEA-UHFFFAOYSA-N;133.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180822;MM180822;CC(F)=C(CF)CCN;XHEIYDJOSIQAHZ-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180823;MM180823;CC(F)=C(CF)CCF;YVAADUOCBQDNGF-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180824;MM180824;CCC(CCN)=C(F)F;JNOMWWBORBHESG-UHFFFAOYSA-N;135.16;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180825;MM180825;CCC(CCO)=C(F)F;SVBKQYQCIIPNQO-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180826;MM180826;CCCC(CN)=C(F)F;MNHLMPPYKJQHAC-UHFFFAOYSA-N;135.16;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180827;MM180827;NCCC(CN)=C(F)F;SPYROGFRJJGLCU-UHFFFAOYSA-N;136.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180828;MM180828;NCC(CCO)=C(F)F;OWCYHHYHYVGABV-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180829;MM180829;NCC(CCF)=C(F)F;OHPUCLTWCOKXNX-UHFFFAOYSA-N;139.12;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180830;MM180830;NCCC(CF)=C(F)F;NGPIEABFHWKWMN-UHFFFAOYSA-N;139.12;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180831;MM180831;CCC(CNC)=C(C)C;JUVIYYVSJCAFQZ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180832;MM180832;CNCC(CN)=C(C)C;YDDXDRQIWYRXKT-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180833;MM180833;CNCC(CF)=C(C)C;NIYHGPNPERIFTI-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180834;MM180834;CNCC(CN)=C(F)F;OPDDTUZALSFGRD-UHFFFAOYSA-N;136.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180835;MM180835;COCC(CO)=C(F)F;KTISWDNSBVSFHY-UHFFFAOYSA-N;138.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180836;MM180836;COC(CCO)=C(C)C;UYBDSHRAKLBIRU-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180837;MM180837;COC(CCN)=C(F)F;OGTFZJWDECNSLK-UHFFFAOYSA-N;137.13;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180838;MM180838;COC(CCO)=C(F)F;UAUAHFBIBQUWJU-UHFFFAOYSA-N;138.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180839;MM180839;COCC(OC)=C(C)C;XETGUMOLAWQJJJ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180840;MM180840;COCC(OC)=C(C)F;KZRNPTCSXPEDDY-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180841;MM180841;COCC(OC)=C(F)F;PMGUDKIVPSOLOW-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180842;MM180842;CCOC(CO)=C(C)C;PUEVUEGYSUTXIC-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180843;MM180843;CCOC(CO)=C(F)F;LMWOUWVUFVDYJO-UHFFFAOYSA-N;138.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180844;MM180844;C=CCC(CN)=C(C)C;IKMWETAFMQIBFG-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180845;MM180845;CC(C)=C(CF)CC=O;WFCDJRZXPKXMCU-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180846;MM180846;CCC(CC=O)=C(C)F;NPKSPXZDYBKUDD-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180847;MM180847;CC(F)=C(CF)CC=O;HBRKRYHOJPERJS-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180848;MM180848;C=CCC(CC)=C(F)F;ADINDWYBNNYEEA-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180849;MM180849;C=CCC(CN)=C(F)F;SABUJNUQPDNXCF-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180850;MM180850;C=CCC(CF)=C(F)F;MCKCHEMRKRNKNH-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180851;MM180851;O=CCC(CF)=C(F)F;GDLXANLXYMVDBQ-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180852;MM180852;COC(CC#N)=C(C)C;VMZSYXFSEKSCIZ-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180853;MM180853;COC(CC#N)=C(C)F;KWLWNOLEAAYYKV-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180854;MM180854;COC(CC#N)=C(F)F;ZGOSIZJLLRXRDO-UHFFFAOYSA-N;133.1;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180855;MM180855;CC(C)=C(CF)NC=O;ZEAJXJCMADKWEK-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180856;MM180856;CC(F)=C(CO)NC=O;VCCVJJXXCPVPBM-UHFFFAOYSA-N;133.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180857;MM180857;CC(F)=C(CF)NC=N;RSYCQRXZSURQNY-UHFFFAOYSA-N;134.13;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180858;MM180858;CC(F)=C(CF)NC=O;WFMZVOGMHDWNLV-UHFFFAOYSA-N;135.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180859;MM180859;C=COC(CO)=C(C)C;VNXWZUDVUQLSKG-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180860;MM180860;C=COC(CO)=C(F)F;CYPHVIAQDBXILO-UHFFFAOYSA-N;136.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180861;MM180861;C#CCC(CC)=C(F)F;FXBURRSSYRZWDZ-UHFFFAOYSA-N;130.14;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180862;MM180862;C#CCC(CN)=C(F)F;DVNUVPBVJAXBGR-UHFFFAOYSA-N;131.13;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180863;MM180863;C#CCC(OC)=C(C)F;QGVLYVZSAANNOA-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180864;MM180864;CC(C)=C(C#N)CCF;VZGYXQNRQVGKBW-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180865;MM180865;CCCC(C=O)=C(C)N;PWTNMQCRVPAKIA-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180866;MM180866;CCCC(C#N)=C(C)N;VGJYVXDCCYTJLU-UHFFFAOYSA-N;124.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180867;MM180867;CC(F)=C(C=O)CCO;VGLJVLGIEZCIBT-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180868;MM180868;CC(F)=C(C=O)CCF;SNAZGADSHNPCHR-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180869;MM180869;CC=NOCC(O)C=NN;LSRATJMYKGWMNC-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180870;MM180870;C=CC(CCN)=C(F)F;IVXQFBKYZISUPQ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180871;MM180871;C=CC(CCO)=C(F)F;MHOQHZVUJVHREF-UHFFFAOYSA-N;134.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180872;MM180872;C=CC(CCF)=C(F)F;YOSFNCVHIDDXMW-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180873;MM180873;CCCC(C=O)=C(F)F;PAWOCKYUVXAXBE-UHFFFAOYSA-N;134.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180874;MM180874;O=CC(CCF)=C(F)F;WFLLIYODFFSIAN-UHFFFAOYSA-N;138.09;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180875;MM180875;C=CC(CNC)=C(F)F;BELVCTOYOSKUQN-UHFFFAOYSA-N;133.14;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180876;MM180876;COCC(C#N)=C(C)F;DGKGTIRXSACSES-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180877;MM180877;COCC(C#N)=C(N)N;ZSYUYSCKMGMLFZ-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180878;MM180878;COCC(C#N)=C(F)F;BGQGKNSPYBZRRA-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180879;MM180879;CCOC(C#N)=C(C)C;JOQWXLGQJPZNKW-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180880;MM180880;CCOC(C=O)=C(C)F;FDAMHZWOFVBBIS-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180881;MM180881;CCOC(C#N)=C(C)F;WEKBYNJMDYOTMB-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180882;MM180882;CCOC(C=O)=C(N)N;ZGJAZLUHOIJCGU-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180883;MM180883;CCOC(C=O)=C(F)F;UYCDIIDWOSOLPI-UHFFFAOYSA-N;136.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180884;MM180884;CCOC(C#N)=C(F)F;QQBKOUSZDNELIJ-UHFFFAOYSA-N;133.1;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180885;MM180885;C=CC(CC=O)=C(C)F;ZDQUWHYDWVUKRJ-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180886;MM180886;CC(F)=C(C=O)CC#N;SODCVNUAGUNKDN-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180887;MM180887;CC(F)=C(C#N)CC#N;UDQYZKGUPMZCHX-UHFFFAOYSA-N;124.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180888;MM180888;C=CC(CC=O)=C(F)F;UYUUARKCWGDAHY-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180889;MM180889;C=CCC(C=O)=C(F)F;IBBMPILJPHFDJW-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180890;MM180890;O=CCC(C=O)=C(F)F;MEQWDEHSYMRYQW-UHFFFAOYSA-N;134.08;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180891;MM180891;CC(N)=C(C#N)NC=N;UXKDOJQSADNXJI-UHFFFAOYSA-N;124.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180892;MM180892;CC(N)=C(C=O)NC=O;MBCNKNQLKUOEBQ-UHFFFAOYSA-N;128.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180893;MM180893;CC(N)=C(C#N)NC=O;KIVNZPZFIXNURL-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180894;MM180894;C=CC(NC=N)=C(C)F;IZEQWLWGSBTSJX-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180895;MM180895;C=CC(NC=O)=C(C)F;LTVYOGNVTMQLBR-UHFFFAOYSA-N;129.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180896;MM180896;N=CNC(C=O)=C(N)N;YWHMUWRSTYBCSC-UHFFFAOYSA-N;128.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180897;MM180897;NC(N)=C(C=O)NC=O;BJRNAIVWFNKCEI-UHFFFAOYSA-N;129.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180898;MM180898;C=COC(C#N)=C(C)C;VHBCFICWOFJTTC-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180899;MM180899;C=COC(C#N)=C(C)F;HSCYQKUKTYEDLL-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180900;MM180900;CC(F)=C(C=O)OC=O;PGSFCIKFTOERAB-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180901;MM180901;CC(F)=C(C#N)OC=O;DOQBZARAKYHNIT-UHFFFAOYSA-N;129.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180902;MM180902;C=COC(C=O)=C(F)F;ARKXZHXXGGVVPN-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180903;MM180903;C=COC(C#N)=C(F)F;GLJQFCMJFAJONL-UHFFFAOYSA-N;131.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180904;MM180904;C#CC(COC)=C(C)F;HLZBUQASJYNXGP-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180905;MM180905;C#CC(OCC)=C(C)C;GXXNGTPARNYBLT-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180906;MM180906;C#CC(OCC)=C(C)F;MOYFHVDZJSIWQU-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180907;MM180907;C#CC(OCC)=C(F)F;DNZHBLLYAKULRO-UHFFFAOYSA-N;132.11;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180908;MM180908;C#CC(CC#N)=C(C)F;GVAKOKKCCMVWBA-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180909;MM180909;C#CC(NC=N)=C(C)C;BYACFLCHVYCWIV-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180910;MM180910;C#CC(NC=O)=C(C)C;DMEFNEDTIVLZDX-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180911;MM180911;C#CC(NC=N)=C(C)F;LVVMWRFGHQITOP-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180912;MM180912;C#CC(NC=O)=C(F)F;UVZZEHQQPSJDMM-UHFFFAOYSA-N;131.08;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180913;MM180913;C#CC(OC=C)=C(C)C;XJQLNDCSPWOIKD-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180914;MM180914;C#CC(OC=C)=C(C)F;JPDIBQZHRRFONC-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180915;MM180915;C#CC(OC=O)=C(C)F;WPSMUVDVJNNTPO-UHFFFAOYSA-N;128.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180916;MM180916;C#CCC(C#C)=C(C)C;AUAZSQYEQRUTIG-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180917;MM180917;CC=CC(CN)=C(C)F;ISWRHQCMGAIRND-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180918;MM180918;CC=CC(CN)=C(F)F;YSGAYIYKUGQXGQ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180919;MM180919;NCC(C=CF)=C(F)F;WOMHSDJBCJDNJV-UHFFFAOYSA-N;137.1;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180920;MM180920;CC(C)=C(C=NO)CF;XWFLSRYGUACVPZ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180921;MM180921;C=C(NC=O)N(O)C=NN;RDVWYTQSCZVLSA-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180922;MM180922;N=c1cc(F)c(F)nn1O;RJAKIRCIDITELX-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180923;MM180923;C#CC(O)CNC(=N)C#N;WAQWVSVCZFQVKL-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180924;MM180924;NC(N)=C(C=NO)CO;ASZKDIBTLIJAJC-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180925;MM180925;CCC(C=NN)=C(F)F;ZPYYHDUHUCWCQQ-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180926;MM180926;CCc1noc(O)c1N;OFWUYYMVFCXKMP-UHFFFAOYSA-N;128.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180927;MM180927;COC(C=NN)=C(C)C;PJIPETVJUIPOPH-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180928;MM180928;COC(C=NO)=C(C)C;DNJGHWUYYKRDLW-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180929;MM180929;COC(C=NN)=C(C)F;PZYULISVEZMZRA-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180930;MM180930;COC(C=NN)=C(N)N;SNPIVLSNNOLSLR-UHFFFAOYSA-N;130.15;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180931;MM180931;COC(C=NO)=C(N)N;WTUWIMNQURNVQW-UHFFFAOYSA-N;131.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180932;MM180932;COC(C=NN)=C(F)F;LRJBOCACGGYYMM-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180933;MM180933;COC(C=NO)OCCO;UBSQKRAJTGFYBE-UHFFFAOYSA-N;149.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180934;MM180934;CC(C)=C(C=O)C=CF;GSHLFFSUEUDKDL-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180935;MM180935;NC(N)=C(C=O)C=CF;XZJSNHOQVSCAFU-UHFFFAOYSA-N;130.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180936;MM180936;N=C(N)C(C=O)=CNO;IHMQFSMYAOURSK-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180937;MM180937;N=c1nnn(O)c(=O)n1N;CDAUGJOLJIXEFV-UHFFFAOYSA-N;144.09;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180938;MM180938;C#CC(C=NN)=C(C)F;KSERVYCPGVZAPQ-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180939;MM180939;CC#CC(CO)=C(C)F;NKGNPKIXLRCVNX-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180940;MM180940;CC#CC(OC)=C(C)C;XBHXVHUAZFSFFY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180941;MM180941;CC#CC(OC)=C(C)F;WBYOHEOTBMJESR-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180942;MM180942;CC#CC(OC)=C(F)F;JYQCIAMOFFTKRB-UHFFFAOYSA-N;132.11;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180943;MM180943;CC#CC(C=O)=C(C)N;JIEWZNYWJLIHNJ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180944;MM180944;CC#CC(C#N)=C(C)N;SIKGPCRQALTJMM-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180945;MM180945;C#CC(C#CC)=C(C)F;YPAGPWLEADMIAT-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180946;MM180946;CCN1CC(O)(CC)C=N1;DOLYXUJTKSPPEF-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180947;MM180947;CC(C)C(CO)C(C)O;KWMHZRGWEGBCTJ-UHFFFAOYSA-N;132.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180948;MM180948;CC(C)C(CF)C(C)F;KUYLUWWCQFUULX-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180949;MM180949;CC(C)C(CF)C(F)F;SQZRNWRRYOSMJU-UHFFFAOYSA-N;140.15;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180950;MM180950;CC(N)C(CN)C(C)F;GOLCBEDQSRBWGZ-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180951;MM180951;CCC(C(C)N)C(F)F;UYZIKMISUKPXTD-UHFFFAOYSA-N;137.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180952;MM180952;CCC(C(C)O)C(C)O;COCROMGEIIFZSQ-UHFFFAOYSA-N;132.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180953;MM180953;CC(O)C(CF)C(C)F;AJGWOZRNUJZFGI-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180954;MM180954;CC(F)C(CF)C(C)F;HPTRSFGWODBOER-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180955;MM180955;CCC(C(C)F)C(F)F;DSWRUYMULXHLRA-UHFFFAOYSA-N;140.15;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180956;MM180956;CNC(C(C)C)C(C)C;AXGHGKSITUHYMI-UHFFFAOYSA-N;129.25;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180957;MM180957;COC(C(C)C)C(C)N;KZMDCDLCXJAFRL-UHFFFAOYSA-N;131.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180958;MM180958;COC(C(C)N)C(C)O;APDYSKSVUSPERD-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180959;MM180959;COC(C(C)O)C(C)O;YBOAYDKLGKHNIE-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180960;MM180960;CC(C)C(CF)N(C)C;VNHOGGKRGLLZEZ-UHFFFAOYSA-N;133.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180961;MM180961;CC(N)C(CN)N(C)C;QHLISBRXUWTWSH-UHFFFAOYSA-N;131.22;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180962;MM180962;CCC(C(C)O)N(C)C;GXXHTUYWJBFARG-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180963;MM180963;CC(F)C(CN)N(C)C;JKPYLEANKVJKHR-UHFFFAOYSA-N;134.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180964;MM180964;CC(C)C(C#N)C(C)C;FSCFMUWAEFAUJX-UHFFFAOYSA-N;125.22;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180965;MM180965;C=CC(C(C)C)C(C)N;HRMRHEWTCXQBOY-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180966;MM180966;C=C(CC)C(C)C(=O)NN;ZWDYGXYZGPOXLK-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180967;MM180967;CC(C)C(C=O)C(C)O;QBUZDDWAZYTGBV-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180968;MM180968;CC(C)C(C#N)C(C)O;XCTAAIAUXGAYPI-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180969;MM180969;CC(C)C(C=O)C(C)F;AODGIOWBBVHKPM-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180970;MM180970;C=CC(C(C)C)C(F)F;MZFOMVMPSHRORS-UHFFFAOYSA-N;134.17;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180971;MM180971;C=CC(C(C)N)C(F)F;PVHZVUNVBKPLRE-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180972;MM180972;CC(O)C(C#N)C(C)O;QWPOSMVOECXCBV-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180973;MM180973;CC(O)C(C=O)C(F)F;NOCCGXJSWZZTHA-UHFFFAOYSA-N;138.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180974;MM180974;CC(O)C(C#N)C(F)F;XNPYSLHUKNVDRK-UHFFFAOYSA-N;135.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180975;MM180975;C=CC(C(C)F)C(F)F;LYQOTDSGDAEYGX-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180976;MM180976;N#CC(C(F)F)C(F)F;WIOLOMNYKWIYSA-UHFFFAOYSA-N;141.07;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180977;MM180977;CC(C)N(C=N)C(C)C;ZQRAQDIQRXIIGH-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180978;MM180978;CC(C)N(C=O)C(C)C;UNBDDZDKBWPHAX-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180979;MM180979;CC(C)N(C=N)N(C)C;FFMNYKBHPUKMDP-UHFFFAOYSA-N;129.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180980;MM180980;C#CC(C(C)C)C(C)C;RRGLVHWFPOECRI-UHFFFAOYSA-N;124.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180981;MM180981;C=C(CC)C(=C)C(=O)NN;SQSTTWIMUBIIPD-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180982;MM180982;C#CC(C(C)C)C(C)F;YKQIGLCTTJGBAQ-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180983;MM180983;C#CC(C(C)C)C(F)F;OBTNICYHMZMWKY-UHFFFAOYSA-N;132.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180984;MM180984;C#CC(C(C)O)C(C)F;QSPRXDJRQJRSKW-UHFFFAOYSA-N;130.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180985;MM180985;CC(=O)C(CF)C(C)C;ICNHGGVXGZCADT-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180986;MM180986;CCC(C(=N)N)C(C)C;GPZRPLLEOANMKW-UHFFFAOYSA-N;128.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180987;MM180987;CC(C)C(CN)C(=N)N;XAZDWRPKDUPRMU-UHFFFAOYSA-N;129.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180988;MM180988;CC(C)C(CO)C(=N)N;ZWJAAMWNJZFCKL-UHFFFAOYSA-N;130.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180989;MM180989;CC=C(C)C(C)C(=O)NN;HKBGGUCIMLJJTB-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180990;MM180990;CC(C)C(CO)C(N)=O;ATIFOLOTBMVACY-UHFFFAOYSA-N;131.18;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180991;MM180991;C=C(C)C(CF)C(C)N;HXBNVRBIMGMCAN-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180992;MM180992;CCC(C(=N)N)C(C)N;APNXPRFPXVSXFK-UHFFFAOYSA-N;129.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180993;MM180993;CCC(C(N)=O)C(C)N;KDIIUVSMQBTPAG-UHFFFAOYSA-N;130.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180994;MM180994;C=C(F)C(CF)C(C)N;BHWVEYIJUBPVRN-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180995;MM180995;C=C(C)C(CF)C(C)O;NPTUWAQAFDTDTH-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180996;MM180996;CC(=O)C(CO)C(C)O;YIPJTHZEIJSEKV-UHFFFAOYSA-N;132.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180997;MM180997;CCC(C(=N)N)C(C)O;NCHCUGXBZGJRDA-UHFFFAOYSA-N;130.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180998;MM180998;CCC(C(N)=O)C(C)O;GNVLLLPSADFVRU-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM180999;MM180999;C=C(F)C(CO)C(C)O;VSHZNXVNESWWPJ-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181000;MM181000;C=C(C)C(CF)C(C)F;RJWOIJWKBJBODD-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181001;MM181001;CCC(C(=N)N)C(C)F;SDUABPQHQWCRRD-UHFFFAOYSA-N;132.18;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181002;MM181002;CC(F)C(CF)C(=N)N;CLSGVXVRBHSSCA-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181003;MM181003;CC(F)C(CF)C(N)=O;ZWXZKELXSLAXBT-UHFFFAOYSA-N;137.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181004;MM181004;CCC(C(=O)O)C(C)F;CEZIFAPSCHJCGH-UHFFFAOYSA-N;134.15;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181005;MM181005;C=C(C)C(CN)C(F)F;IBBUDEJMHFKPOC-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181006;MM181006;C=C(C)C(CF)C(F)F;UDPDWORWGGIROG-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181007;MM181007;N=C(N)C(CO)C(F)F;BAMMKMMJVAVTLM-UHFFFAOYSA-N;138.12;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181008;MM181008;CCC(C(N)=O)C(F)F;GEPWKVUUHZAGDP-UHFFFAOYSA-N;137.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181009;MM181009;NC(=O)C(CO)C(F)F;YNABOBSNXWRGFT-UHFFFAOYSA-N;139.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181010;MM181010;CNC(C(C)=O)C(C)C;IGDRULGCCDGCAF-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181011;MM181011;CNC(C(=N)N)C(C)C;PAAUQYUSOJHKCH-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181012;MM181012;COC(C(C)=O)C(C)C;CTGHLGMZIHKFDK-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181013;MM181013;COC(C(N)=O)C(C)C;BQYYDBAGXFSMRQ-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181014;MM181014;CCn1cc(O)c(C)n1;TYQFCFLXCXOSCB-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181015;MM181015;COC(C(=N)N)C(C)N;WLKJIKOZJNEHBG-UHFFFAOYSA-N;131.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181016;MM181016;COC(C(=N)N)C(C)O;FLDXJZSOLOHHQC-UHFFFAOYSA-N;132.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181017;MM181017;COC(C(N)=O)C(C)O;PAWJWCWBAGJULX-UHFFFAOYSA-N;133.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181018;MM181018;Cc1nn(CC#N)cc1O;BMDQLAXGLWDGGA-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181019;MM181019;COC(C(C)=O)C(C)F;WCZVOEWEBBHBBJ-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181020;MM181020;COC(C(=N)N)C(F)F;SGNPPHZVFXKKHW-UHFFFAOYSA-N;138.12;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181021;MM181021;Nc1nn(N)c(O)c1F;VJQMCLKVCBBZTH-UHFFFAOYSA-N;132.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181022;MM181022;CN(C)C(CO)C(=N)N;AVYAQADHMUESSC-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181023;MM181023;CCN(C(C)=N)C(C)C;TXTJFVMZFLITDL-UHFFFAOYSA-N;128.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181024;MM181024;CCN(C(=N)N)C(C)C;WBNCBYKROZQOKL-UHFFFAOYSA-N;129.21;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181025;MM181025;CNN(C(C)=N)C(C)C;QAGFLELJRQJINU-UHFFFAOYSA-N;129.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181026;MM181026;CON(C(C)=O)C(C)C;UAWYYJBQQKOYHL-UHFFFAOYSA-N;131.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181027;MM181027;CCN(C(C)=N)N(C)C;RUWQEJPEFBQIHH-UHFFFAOYSA-N;129.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181028;MM181028;C=CC(C(C)=O)C(C)C;ZEIAEPMUWVJEOO-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181029;MM181029;C=CC(C(=N)N)C(C)C;UDVPPXXYBGJDDQ-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181030;MM181030;CC(C)C(C=O)C(=N)N;DSJQXFPIDOSHQI-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181031;MM181031;CCC=CC(C)NNC=O;FAHOAHHPPMDINL-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181032;MM181032;CC(C)C(C=O)C(N)=O;XZGJZKPXFGVVNC-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181033;MM181033;C=C(F)C(C=O)C(C)C;OUYNLNGDJDOXEZ-UHFFFAOYSA-N;130.16;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181034;MM181034;C=CC(C(=C)C)C(C)N;MBAQWVJISNUSTH-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181035;MM181035;C=CC(C(=N)N)C(C)N;CEOXFIYVEVPNIB-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181036;MM181036;C=CC(C(N)=O)C(C)N;JIBYCSJYLOQPGC-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181037;MM181037;CC(O)C(C#N)C(=N)N;GLLZXSXTXLTLFN-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181038;MM181038;CC(O)C(C#N)C(N)=O;VNGXIGJQNTTWED-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181039;MM181039;C=CC(C(=C)F)C(C)O;QPIHNFLJQKMWAX-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181040;MM181040;CC(=O)C(C#N)C(C)F;JXDJERUFBVVWST-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181041;MM181041;C=CC(C(=N)N)C(C)F;QFWHXMBSMWCFPC-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181042;MM181042;CC(F)C(C=O)C(=N)N;WSLGUXHQRYNILW-UHFFFAOYSA-N;132.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181043;MM181043;C=CC(C(N)=O)C(C)F;LMTSVHHNWQTYJM-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181044;MM181044;CC(F)C(C=O)C(N)=O;RZWGFZIKNRXCKA-UHFFFAOYSA-N;133.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181045;MM181045;CC(F)C(C#N)C(N)=O;FMQDPTOQVOQBSV-UHFFFAOYSA-N;130.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181046;MM181046;C=C(F)C(C=O)C(C)F;RJRNIMZJHQIJFO-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181047;MM181047;C=C(C)C(C=O)C(F)F;INCGSGLHDBOASQ-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181048;MM181048;C=CC(C(=N)N)C(F)F;QRJCBZXVWDAFAA-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181049;MM181049;C=C(C)C(C#N)N(C)C;NGWGCYISQCUFPV-UHFFFAOYSA-N;124.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181050;MM181050;CN(C)C(C#N)C(=N)N;RBLYHGNSDZAORJ-UHFFFAOYSA-N;126.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181051;MM181051;C=C(C)N(C=O)C(C)C;VJARSDIUXRAOCQ-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181052;MM181052;CC(=O)N(C=N)C(C)C;YHPLLVAZCMSSIZ-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181053;MM181053;C=CN(C(C)=O)N(C)C;CROWQRDFOZZFJI-UHFFFAOYSA-N;128.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181054;MM181054;C=CN(C(=N)N)N(C)C;JAUZJVHSEGVENG-UHFFFAOYSA-N;128.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181055;MM181055;CN(C)N(C=N)C(=N)N;BVRIRNVODXZMFB-UHFFFAOYSA-N;129.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181056;MM181056;CN(C)N(C=O)C(=N)N;JHGIQVMZVYXNLM-UHFFFAOYSA-N;130.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181057;MM181057;C=C(CC)C(C)NNC=O;XGXACYJSBKXPIN-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181058;MM181058;C#CC(C(=C)C)C(C)C;FQRPHYPVJJWXKW-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181059;MM181059;C#CC(C(N)=O)C(C)C;XZNNWZIYWNSFIU-UHFFFAOYSA-N;125.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181060;MM181060;C#CC(C(=C)F)C(C)C;WSJDJPKTZJIBAA-UHFFFAOYSA-N;126.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181061;MM181061;C#CC(C(=C)C)C(C)N;RSUTZDXZBOAGHW-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181062;MM181062;C#CC(C(=C)F)C(C)N;UNMDJJQPDZTPIO-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181063;MM181063;NN=CCOCC(O)CF;JOVXZOUXGADDJA-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181064;MM181064;C#CC(C(=C)F)C(C)O;BIUONABYUPUHEJ-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181065;MM181065;C#CC(C(=C)C)C(C)F;MMCGJQFKUNSLRS-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181066;MM181066;C#CC(C(=O)O)C(C)F;OHMCHEKSTDMMGN-UHFFFAOYSA-N;130.12;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181067;MM181067;C#CC(C(=C)C)C(F)F;WCAXDQWXPNBWKN-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181068;MM181068;C#CC(C(C)=O)C(F)F;QMMFFDNROJXLCQ-UHFFFAOYSA-N;132.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181069;MM181069;C#CC(C(=N)N)C(F)F;FBIILRMPMAKHOC-UHFFFAOYSA-N;132.11;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181070;MM181070;C#CC(C(=N)N)N(C)C;JSAZMYRCTBFVEC-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181071;MM181071;C=C(C)C(CN)C(=C)C;GKQCMCXFXYMOPS-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181072;MM181072;C=C(C)C(CF)C(C)=O;ZKCIACLETPOCRE-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181073;MM181073;C=C(C)C(CN)C(=N)N;JGZLKTNITCBVFM-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181074;MM181074;C=C(C)C(CF)C(=N)N;ZWSMAUHTCLATCX-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181075;MM181075;C=C(C)C(CN)C(N)=O;ASEULIMWLSJQID-UHFFFAOYSA-N;128.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181076;MM181076;C=C(C)C(CF)C(=O)O;SVXWNJIANMRAGZ-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181077;MM181077;C=C(C)C(CN)C(=C)F;CIWBIZLYKJXSRQ-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181078;MM181078;CC(=O)C(CO)C(=N)N;BROSDVOXFVTTFT-UHFFFAOYSA-N;130.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181079;MM181079;N=C(N)C(CO)C(N)=O;GKYFVPFXOZVQIY-UHFFFAOYSA-N;131.14;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181080;MM181080;NC(=O)C(CO)C(N)=O;CCSQBVLBKZMNNH-UHFFFAOYSA-N;132.12;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181081;MM181081;C=C(F)C(CO)C(N)=O;CSICCGSVORCECM-UHFFFAOYSA-N;133.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181082;MM181082;Cn1c(=N)[nH]n(C=O)c1=O;BNGGCFFTSPLVEZ-UHFFFAOYSA-N;142.12;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181083;MM181083;C=C(F)C(CN)C(=C)F;BFUJQKBKUKVWHU-UHFFFAOYSA-N;133.14;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181084;MM181084;C=C(C)C(NC)C(=N)N;XKSKSMULVGGVES-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181085;MM181085;C=C(F)C(OC)C(C)=O;STQWUUTYGIYTHZ-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181086;MM181086;COC(C(=N)N)C(=N)N;NCKRYINBTDCSTM-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181087;MM181087;COC(C(=N)N)C(N)=O;RMXFHRDNWSCXFX-UHFFFAOYSA-N;131.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181088;MM181088;COC(C(N)=O)C(N)=O;ZSPWEJMLRCUCIX-UHFFFAOYSA-N;132.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181089;MM181089;ON=c1nc(O)[nH][nH]1;LNRBCFWCHRGVAA-UHFFFAOYSA-N;116.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181090;MM181090;NNc1cnn(O)c(=O)n1;UXBNGEKMELIHKO-UHFFFAOYSA-N;143.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181091;MM181091;C=C(C)N(CC)C(C)=O;JYCFFRXFMNNDDT-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181092;MM181092;CCN(C(C)=N)C(=N)N;NCZHODGBTMMYII-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181093;MM181093;C=C(C)N(NC)C(C)=O;KRMIJWQJLZTFAJ-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181094;MM181094;C#CC(O)CNC=NOC;LROGBJROPIWVGD-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181095;MM181095;CNN(C(=N)N)C(C)=O;OILJJPAMJKJTNL-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181096;MM181096;OCCON=CC(O)CO;LJUZIPDWHGRTCL-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181097;MM181097;CON(C(C)=N)C(=N)N;LTFLWJBADATCAF-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181098;MM181098;C=CC(CCC)C(=O)NN;LZBHFLPXPDPGBD-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181099;MM181099;C=CC(C(=C)C)C(C)=O;OELLYFYVYIMQGJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181100;MM181100;C=CC(C(=C)C)C(=N)N;ZNJCYXUUPUTENN-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181101;MM181101;C=CC(C(=C)C)C(N)=O;QTLNKMMXEFXIMZ-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181102;MM181102;C=CC(C(=C)C)C(=C)F;NGSLASOKWMLDQN-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181103;MM181103;C=CC(C(=C)F)C(C)=O;DUSIQCQRNZVNBK-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181104;MM181104;N#CC(C(=N)N)C(=N)N;IQJUCPJSRRPJSG-UHFFFAOYSA-N;125.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181105;MM181105;C=C(F)C(C=O)C(=N)N;YPXQNFMUQPWIBA-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181106;MM181106;C=CC(C(=C)F)C(N)=O;IWRCYMIFKJVIMY-UHFFFAOYSA-N;129.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181107;MM181107;C=C(F)C(C=O)C(N)=O;COEOHDCOEHLQJY-UHFFFAOYSA-N;131.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181108;MM181108;C=C(F)C(C=O)C(=C)F;KLCVASMPPPMTFF-UHFFFAOYSA-N;132.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181109;MM181109;C=CN(C(=C)C)C(C)=O;HUHBZNMOPROFGX-UHFFFAOYSA-N;125.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181110;MM181110;C=CN(C(=C)C)C(N)=O;NMZJZRDFGBEVOB-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181111;MM181111;CC=CC(CC)C(=O)NN;KCMPCEPZVMHAGN-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181112;MM181112;CC(=N)N(C=N)C(=N)N;XDQOXHRCFFWGMF-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181113;MM181113;CC=CC(=CC)C(=O)NN;PYKAXDIFDAYNNF-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181114;MM181114;CC=CC(CC)NNC=O;LKZJOHPQKFURCS-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181115;MM181115;CC(=O)N(C=O)C(C)=O;DJYLDDBHXJZUAE-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181116;MM181116;CC(=O)N(C=O)C(=N)N;JSFCGJJAYYVZRZ-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181117;MM181117;CC(=O)N(C=O)C(N)=O;BZPASPYIYJDGGQ-UHFFFAOYSA-N;130.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181118;MM181118;N=C(N)N(C=O)C(=N)N;KIXBLUGGBXCHKY-UHFFFAOYSA-N;129.12;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181119;MM181119;C=CN(C(=N)N)C(N)=O;ZVDJRCBJHIDUBB-UHFFFAOYSA-N;128.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181120;MM181120;NC(=O)N(C=O)C(N)=O;WFPQSMNFSWITLQ-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181121;MM181121;C=NN(C(=C)C)C(=N)N;VKJWVNXPTBXOGY-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181122;MM181122;C=NN(C(N)=O)C(N)=O;OJJHHANPWJKDTK-UHFFFAOYSA-N;130.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181123;MM181123;C#CC(C(=C)C)C(=C)C;WXRJRBXKUWFBMF-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181124;MM181124;C#CC(C(=C)C)C(=N)N;CNNKTTMFCUWEEQ-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181125;MM181125;C#CC(C(=C)C)C(N)=O;GTXNYTOXQLAOGF-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181126;MM181126;C#CC(C(=C)C)C(=O)O;BNLANFNMIYOQSM-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181127;MM181127;C#CC(C(=C)C)C(=C)F;VFUAQMISYRQPIJ-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181128;MM181128;C#CC(C(=N)N)C(N)=O;FHGHBDKIUIBURD-UHFFFAOYSA-N;125.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181129;MM181129;C#CC(C(N)=O)C(N)=O;FBKJIPQHIAMQPJ-UHFFFAOYSA-N;126.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181130;MM181130;C#CC(C(=C)F)C(=O)O;SJJGCWPRMADYJX-UHFFFAOYSA-N;128.1;0.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181131;MM181131;CC=C(C(C)C)C(C)N;OUDYFVSQEKOQEH-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181132;MM181132;CC(C)C(=CF)C(C)N;VPGDRTCQORQXDL-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181133;MM181133;CC(C)C(=CF)C(C)O;HIKIXHSSEQLHBE-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181134;MM181134;CC(N)C(=CF)C(C)F;UIXOMWSFOYUOOD-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181135;MM181135;CC(C)C(=NN)C(C)C;KPLLJVCJQQBIRP-UHFFFAOYSA-N;128.22;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181136;MM181136;CC(C)C(=NO)C(C)C;PULCKIYKBGOTTG-UHFFFAOYSA-N;129.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181137;MM181137;CC(C)C(=NO)C(C)N;ODOSHFUIMNIXRH-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181138;MM181138;C=CC(C(=O)NN)C(C)C;RDGOWVUJVVIKCP-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181139;MM181139;CCOc1nc(=N)[nH]o1;JBQGDGAIPVEBRZ-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181140;MM181140;C=C(C)C(CC)NNC=O;YPFXGRJNIKKJJI-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181141;MM181141;CC(O)C(=NO)N(C)O;YHAJWJRXYHPTJN-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181142;MM181142;CN(C)C(=NN)N(C)O;QYHZFNQKASSXAU-UHFFFAOYSA-N;132.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181143;MM181143;CC=C(C(=N)N)C(C)C;ZLSHZAGWYKOSPP-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181144;MM181144;CC(C)C(=CN)C(=N)N;KSKTYCLNNLLIGR-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181145;MM181145;CC(C)C(=CF)C(=N)N;RGHWYHBPHRPBAL-UHFFFAOYSA-N;130.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181146;MM181146;Cc1c(N)c(=N)n(O)n1O;QDLGKJWBBMARMS-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181147;MM181147;N=c1nnn(N)c(=N)n1O;WWWUAVYFEFGPOB-UHFFFAOYSA-N;143.11;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181148;MM181148;N=c1c(F)c(F)cnn1O;RYLPCMISZYOFAO-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181149;MM181149;CC=C(C(C)=O)C(C)O;QBGVCOZAKXNDAO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181150;MM181150;CC=C(C(N)=O)C(C)O;KPKGJKDWEYHSFL-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181151;MM181151;CC(O)C(=CN)C(N)=O;JRHRFFFFPOIDRH-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181152;MM181152;CCCOc1nc(=N)[nH]o1;SBKPVGCHUFLKBI-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181153;MM181153;CC(=O)C(=CN)C(C)F;BBWBOVAUVSIQOE-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181154;MM181154;CC=C(C(=N)N)C(C)F;ODJHHWOSJJLENP-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181155;MM181155;CC(F)C(=CN)C(=N)N;SFHCIJQYMYVKIW-UHFFFAOYSA-N;131.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181156;MM181156;Cc1cc(=NN)n(O)n1O;LSLMHFFXCSIUBM-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181157;MM181157;Cc1oc(=O)n(C)c1O;QYMMFHHJDUZAEF-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181158;MM181158;C=C(C=O)C(=O)C(F)C=O;BUHSOERKTCCWHE-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181159;MM181159;CC(C)C(=NO)C(N)=O;MKLMUQIYHUBDOO-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181160;MM181160;CC(O)C(=NN)C(=N)N;SUEIZRICIPUFGT-UHFFFAOYSA-N;130.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181161;MM181161;CC(F)C(=NN)C(=N)N;MOMMOYFJVDOLGZ-UHFFFAOYSA-N;132.14;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181162;MM181162;CN=C(C(=N)N)N(C)C;NGBJPHPAASURIF-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181163;MM181163;C=Cc1ncc(=N)n(O)n1;QODMTAYPXUIRPS-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181164;MM181164;C#CCN1N=CC2(O)CC12;OVPXJWVHBQAKIT-UHFFFAOYSA-N;136.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181165;MM181165;Nc1c(F)oc(=O)n1O;GUSDSDUBBSRJNO-UHFFFAOYSA-N;134.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181166;MM181166;C=NNc1cc(CC)on1;IAGFGSDLJBAPIU-UHFFFAOYSA-N;139.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181167;MM181167;Cn1c(=N)on(O)c1=NN;MEXIOIRQVUFDDF-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181168;MM181168;Cn1on(O)c(=N)c1=NN;KGQBVKXXWJQFAQ-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181169;MM181169;C=C(F)C(=NO)N(C)O;WMHODUAKTHBKCJ-UHFFFAOYSA-N;134.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181170;MM181170;C=C(C)C(=CC)C(C)=O;DHOYTLQNEPYVKY-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181171;MM181171;C=C(C)C(=CF)C(C)=O;HQQKCAIOTCYMDG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181172;MM181172;C=C(C)C(=CC)C(=N)N;XKGKJTHIGODKSZ-UHFFFAOYSA-N;124.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181173;MM181173;C=C(C)C(=CF)C(=N)N;PFYHCQNQANHHCJ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181174;MM181174;CN=c1c(=N)n(C)on1O;KKSJXNWNFINOBF-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181175;MM181175;CC(=O)C(=CF)C(=N)N;MIMLJJBSBQILJW-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181176;MM181176;C=C(F)C(=CN)C(C)=O;PGJGJPOPDCASIJ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181177;MM181177;N=C(N)C(=CF)C(=N)N;PCCVZFUUJKPOQK-UHFFFAOYSA-N;130.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181178;MM181178;C=C(F)C(=CC)C(=N)N;PVQLZAUPPROTAS-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181179;MM181179;C=C(F)C(=CN)C(=N)N;IVLNPGUHJCAALB-UHFFFAOYSA-N;129.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181180;MM181180;C=C(F)C(=CF)C(=N)N;HKRKPRAYZDBQOM-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181181;MM181181;O=c1oc(CF)cn1O;LEKMBDQDAMMTQN-UHFFFAOYSA-N;133.08;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181182;MM181182;CNc1cn(O)c(=O)o1;YDHPEIJOJWHAGR-UHFFFAOYSA-N;130.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181183;MM181183;Cn1c(=O)nnn(O)c1=O;SJLXVGVSRWXBSS-UHFFFAOYSA-N;144.09;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181184;MM181184;CC(F)=C(CN)C(C)C;WKENTQSAETXKLB-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181185;MM181185;CC(C)C(CN)=C(F)F;LXYDVTDEZHVOQF-UHFFFAOYSA-N;135.16;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181186;MM181186;CC(C)=C(CF)C(C)N;OTJFPKDKQBREGM-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181187;MM181187;CC(F)=C(CN)C(C)N;IUMPYSYAOFJMIH-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181188;MM181188;CCC(=C(F)F)C(C)N;RTWKQTCZBPOOLI-UHFFFAOYSA-N;135.16;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181189;MM181189;CC(N)C(CO)=C(F)F;AJRYLIQOEUNVIB-UHFFFAOYSA-N;137.13;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181190;MM181190;CC(N)C(CF)=C(F)F;WCGWCCNYVUMPRX-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181191;MM181191;CCC(=C(F)F)C(C)O;ZUTMFXWHFZUTFJ-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181192;MM181192;CC(C)=C(CF)C(C)F;NRMHFGKXDYFACW-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181193;MM181193;CC(F)=C(CN)C(F)F;WQLWUDIAGWTCIX-UHFFFAOYSA-N;139.12;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181194;MM181194;CC(F)=C(CO)C(F)F;GLMBYNJJOHILLW-UHFFFAOYSA-N;140.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181195;MM181195;COC(=C(F)F)C(C)N;BYDCXFUDMBCZBK-UHFFFAOYSA-N;137.13;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181196;MM181196;COC(=C(F)F)C(C)O;QFLGOQSMARXRJJ-UHFFFAOYSA-N;138.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181197;MM181197;COC(=C(C)F)C(F)F;TUCIQKFDLBOQIG-UHFFFAOYSA-N;140.1;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181198;MM181198;CC(C)=C(C=O)C(C)C;VDLYRMVNDHHOKL-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181199;MM181199;CC(N)=C(C=O)C(C)C;VHGSLVKTPHKODK-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181200;MM181200;C=CC(=C(F)F)C(C)C;IWFGHRRLPUEJIC-UHFFFAOYSA-N;132.15;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181201;MM181201;C=CC(=C(F)F)C(C)N;DISRAZQWHOJPKV-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181202;MM181202;CC(C)=C(C=O)C(C)O;DZAMHXYXSXODTN-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181203;MM181203;CC1CN1C1CC1(O)CF;OUKXZPGTACSYAA-UHFFFAOYSA-N;145.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181204;MM181204;CC(O)C(C=O)=C(F)F;YQCHZBNYNXNHDT-UHFFFAOYSA-N;136.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181205;MM181205;CC(C)=C(C=O)C(C)F;QIMGGRIFTGQKIN-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181206;MM181206;CC(F)C(C=O)=C(N)N;QIYACUYZZCSRQA-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181207;MM181207;N#CC(=C(N)N)C(F)F;VQMWLPVHDHSOKY-UHFFFAOYSA-N;133.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181208;MM181208;O=CC(=C(F)F)C(F)F;RSQIXRQTXFTFJC-UHFFFAOYSA-N;142.05;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181209;MM181209;C#CC(=C(C)F)C(C)N;CEBSYJZBCKGGGA-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181210;MM181210;C=C(C)C(CN)=C(F)F;ZPISFDNLIOMGKF-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181211;MM181211;CC(C)=C(CF)C(=N)N;RMBKJWYPSMDWKK-UHFFFAOYSA-N;130.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181212;MM181212;CCC(C(=N)N)=C(C)N;WVGYXRDDDKDSIB-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181213;MM181213;CC(N)=C(CO)C(=N)N;BDECHLJWJATNCF-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181214;MM181214;CC(F)=C(CO)C(=N)N;RGOVCDRXIVINCZ-UHFFFAOYSA-N;132.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181215;MM181215;CCCC(=O)NN;FCCCRBDJBTVFSJ-UHFFFAOYSA-N;102.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181216;MM181216;CC(C)=C(CO)C(N)=O;XKFIWMAXRLUACK-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181217;MM181217;CC(N)=C(CO)C(N)=O;CRQZFNZEQLCJFK-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181218;MM181218;NC(=O)C(CO)=C(N)N;MPDTZEANHYECJP-UHFFFAOYSA-N;131.14;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181219;MM181219;NC(=O)C(CF)=C(N)N;HNHLONKLNHHHOH-UHFFFAOYSA-N;133.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181220;MM181220;NC(=O)C(CO)=C(F)F;LFLPSKDPLHMBLX-UHFFFAOYSA-N;137.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181221;MM181221;CCC(C(=O)O)=C(C)C;SUAWXOQFWMLUMR-UHFFFAOYSA-N;128.17;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181222;MM181222;CC(C)=C(CF)C(=O)O;KSCAKFNTPHMCDA-UHFFFAOYSA-N;132.13;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181223;MM181223;CC(F)=C(CF)C(=O)O;YHVOVGQOJGJEIG-UHFFFAOYSA-N;136.1;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181224;MM181224;Cn1cc(F)c(=O)c(O)n1;KDKDPCMKMGFDTB-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181225;MM181225;COC(C(=N)N)=C(C)N;DIVNRQMCHPAVHD-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181226;MM181226;COC(C(N)=O)=C(C)N;ZDQYOPZQLDCBEE-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181227;MM181227;COC(C(N)=O)=C(N)N;GGBRTNXILYWCOD-UHFFFAOYSA-N;131.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181228;MM181228;Cn1nc(CF)n(O)c1=O;RXOIALXEFDPSRZ-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181229;MM181229;C=Cc1cc(=O)n(O)nn1;ZUWGMCQBILDDFU-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181230;MM181230;Cc1c(O)cnc(=O)n1O;RNSDVBAYOZBJEF-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181231;MM181231;C=C(C)C(C=O)=C(F)F;ODCOOIFJDLSIFX-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181232;MM181232;C=CC(C(C)=O)=C(C)N;HXZQUEPJDFTICR-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181233;MM181233;CC(=O)C(C=O)=C(C)N;CIFDRCSMXXFLJO-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181234;MM181234;C=CC(C(C)=O)=C(C)F;SPBJEIAWCLYAOT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181235;MM181235;C=CC(C(C)=O)=C(F)F;CBNYRCBCIJPONM-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181236;MM181236;CC(=O)C(C=O)=C(F)F;IXDACLLXYDPHCJ-UHFFFAOYSA-N;134.08;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181237;MM181237;C=CC(C(=N)N)=C(C)N;HPTPKRBLPYMVOA-UHFFFAOYSA-N;125.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181238;MM181238;CC(N)=C(C#N)C(=N)N;SHGCOULEDJYILU-UHFFFAOYSA-N;124.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181239;MM181239;N#CC(C(=N)N)=C(N)N;QWFCIKYPNNIGAP-UHFFFAOYSA-N;125.14;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181240;MM181240;C=CC(C(=N)N)=C(F)F;JDTYSBBUOHFUTN-UHFFFAOYSA-N;132.11;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181241;MM181241;CC(C)=C(C#N)C(N)=O;JFANIMFOKJNUKS-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181242;MM181242;CC(N)=C(C#N)C(N)=O;GLIYEZWGHKPNIX-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181243;MM181243;O=c1c(F)con1O;XAYUILFKWBPJTO-UHFFFAOYSA-N;119.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181244;MM181244;CC(F)=C(C#N)C(=O)O;UVZUMCVPXQBDCF-UHFFFAOYSA-N;129.09;0.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181245;MM181245;C=C1OC(=CC)CC1=O;UYYGOQSWSDGTTK-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181246;MM181246;C=C(F)C(C=O)=C(C)C;ZPVPBEFUYKTVRY-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181247;MM181247;C=CC(C(=C)F)=C(F)F;QOJQLYIEQFCRSQ-UHFFFAOYSA-N;134.1;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181248;MM181248;C=C(F)C(C=O)=C(F)F;KBYIKOKHDQGMSA-UHFFFAOYSA-N;136.07;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181249;MM181249;C#CC(C(=N)N)=C(C)C;KLCHLDVWEVSGLM-UHFFFAOYSA-N;122.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181250;MM181250;C#CC(C(=N)N)=C(C)N;XHKKJHSZVVPTEC-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181251;MM181251;C#CC(C(=N)N)=C(N)N;YHKDLKRYEINEHY-UHFFFAOYSA-N;124.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181252;MM181252;C#CC(C(N)=O)=C(C)F;LEVZFXKUXFTQCM-UHFFFAOYSA-N;127.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181253;MM181253;C#CC(C(N)=O)=C(N)N;GDRXEWPBTUOGNR-UHFFFAOYSA-N;125.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181254;MM181254;Oc1noc(CF)n1;LJOPOGJWJYZDMH-UHFFFAOYSA-N;118.07;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181255;MM181255;C#CCC1(C#C)CCC1;NJVWMPJDOIGFON-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181256;MM181256;CC#CC1(CC)CCC1;PKGWOPMUROLREY-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181257;MM181257;CC#CC1(CN)CCC1;ZMCVBHQLYOVKIL-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181258;MM181258;CC#CC1(CC)CNC1;NSARPLSIYYIDEV-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181259;MM181259;CC#CC1(CC)COC1;KOHOJEWOQNISCH-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181260;MM181260;C=CC1(C#CC)CCC1;FKALPNNLYPPIOY-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181261;MM181261;CC#CC1(C=O)CCC1;OXYVWIBCEXOTQS-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181262;MM181262;CC#CC1(C#N)CCC1;XZVBBVLGQTVYKI-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181263;MM181263;C=CC1(C#CC)CNC1;LGQJFMQJGAAZKD-UHFFFAOYSA-N;121.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181264;MM181264;CC#CC1(C=O)CNC1;VKZGRIYTTCXYFP-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181265;MM181265;C=CC1(C#CC)COC1;FLRLSSPQSSPDTK-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181266;MM181266;CC#CC1(C=O)COC1;LQQDPPKFHSFPFH-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181267;MM181267;CC#CC1(C#N)COC1;YYMFPWBLFLGFOJ-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181268;MM181268;C=CC1(C#CC)CCN1;GBCWMVNHNGGCKT-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181269;MM181269;CC#CC1(C#N)CCN1;BRAQJTJZGIMGGD-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181270;MM181270;C=CC1(C#CC)CCO1;MWUTZLMVCBMTMP-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181271;MM181271;CC#CC1(C#N)CCO1;MJCRTZJWLUAUMS-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181272;MM181272;C#CC1(C#CC)CCC1;XERALYWKPDJPBG-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181273;MM181273;C#CC1(C#CC)CNC1;VEDFLTBFFIJHQT-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181274;MM181274;C#CC1(C#CC)COC1;HKILZJKTLSDTLS-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181275;MM181275;C#CC1(C#CC)CCO1;VTEYBKRSSMAKFM-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181276;MM181276;CCCC1(CC#N)CC1;PIKSLTVJYVFKFF-UHFFFAOYSA-N;123.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181277;MM181277;C=CCC1(CCN)CC1;QFJZIOPFFPUOCA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181278;MM181278;CCC1(O)C=NNC1;PTHAPAXWPUXVIP-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181279;MM181279;C#CCC1(CCC)CC1;FHNBRRXEXDWNJA-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181280;MM181280;C#CCC1(CCN)CC1;ZLPMWDDLKPQWHN-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181281;MM181281;CN1N=CC2(O)CC12;OIGGLVRTMVBFDY-UHFFFAOYSA-N;112.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181282;MM181282;C#CCC1(CNC)CC1;XWNASDNZPBZTIW-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181283;MM181283;C#CCC1(CCN)CN1;MNYRUJLBGMHKPK-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181284;MM181284;C#CCC1(CNC)CN1;PKJDCLPUIPEWBR-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181285;MM181285;C=CCC1(CC#N)CC1;DVGNFJKICYKUQB-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181286;MM181286;C=CCC1(CC#N)CN1;VSXKWJAEKPIEOY-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181287;MM181287;C#CCC1(CC=C)CC1;LOKFYOCUHHKCTK-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181288;MM181288;C#CCC1(CC=O)CC1;AYWCCDRSJYDZNL-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181289;MM181289;C#CCC1(CC=C)CO1;ZEHDZIVVOGFUDW-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181290;MM181290;C#CCC1(CC=O)CO1;VSRNNWZOPXHPIP-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181291;MM181291;C#CCC1(CC#C)CC1;SIOOIUBISYFSFU-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181292;MM181292;C#CCC1(CC#C)CO1;YKBDWZLUWKEXAJ-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181293;MM181293;CC1CC1(CN)CCF;DGNJHDRBDRKVSU-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181294;MM181294;CNC1(CCF)CC1C;SHZYZDKJOMXGNQ-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181295;MM181295;CCNC1(CC)CC1C;ZPVHVISQZKDHEC-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181296;MM181296;C#CCC1(CC)CC1C;NBXZHDAYADDZKF-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181297;MM181297;C#CCC1(CN)CC1C;XWLBAQVSWKDJOX-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181298;MM181298;CCCC1(C=O)CC1C;FVUDYMKMPXJYPU-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181299;MM181299;C=CC1(CCC)OC1C;QRMNDTYBASJLOI-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181300;MM181300;C=CC1(CNC)CN1C;GBRWYWOMMZCCJO-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181301;MM181301;C#CC(O)CN1CC1;XFEYAVSRRBGUJP-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181302;MM181302;C#CCC1(C=C)CC1C;PTOCMLPVBROXPY-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181303;MM181303;C#CC1(CCC)CC1C;WWMBEIJXFHGIOD-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181304;MM181304;C#CC1(CCF)CC1C;XMCFSLXCDRDKCA-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181305;MM181305;C#CC1(CNC)CC1C;KGUMRQBUWBZANX-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181306;MM181306;C#CC1(COC)CC1N;XOWLYQFUSPALBL-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181307;MM181307;C#CC1(CCF)NC1C;CYDXDKQUYKFEQK-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181308;MM181308;C#CC1(CC=C)CC1C;YYHXZEDYZBLDGC-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181309;MM181309;C#CC1(CC=O)CC1C;ZZMIWXBBXCXFBT-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181310;MM181310;C#CC1(CC#N)CC1C;CBXCXDXDEXRXTD-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181311;MM181311;C#CCC1(C#C)CC1C;APNOLMHTVHFEBL-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181312;MM181312;CCC1(C(C)C)CCC1;GXAYFBUWNBJKRC-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181313;MM181313;CC(C)C1(CN)CCC1;QDSWJRDFLYEFFP-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181314;MM181314;N=c1cncnn1O;LNWJFXZUTOOSRV-UHFFFAOYSA-N;112.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181315;MM181315;CCC1(C(C)N)CCC1;LTBFGKGHAYDQER-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181316;MM181316;CNC1(C(C)C)CCC1;ONBKBRRTFDUJLU-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181317;MM181317;COC1(C(C)C)CCC1;JPGJAEHFKLFHJH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181318;MM181318;CCC1(C(C)C)CNC1;MHTSWGIVQCFRDN-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181319;MM181319;CC(C)C1(CN)CNC1;JSBPCTUVTMJSEV-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181320;MM181320;CC(C)C1(CO)CNC1;DTULQWCLYWUJKI-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181321;MM181321;CCC1(C(C)N)CNC1;PZTKKZIYTHGQJP-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181322;MM181322;CNC1(C(C)C)CNC1;YFYVJTWOBKOYBH-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181323;MM181323;COC1(C(C)C)CNC1;KIKSUMQHTOKCFZ-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181324;MM181324;CCC1(C(C)C)COC1;AONJLNQVCZHGPP-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181325;MM181325;CC(C)C1(CN)COC1;YSFSJQZZESOLCN-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181326;MM181326;CNC1(C(C)C)COC1;DQUXGBKGFKJGOP-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181327;MM181327;CNC1(C(C)N)COC1;GVZKRCXKCCSBIY-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181328;MM181328;COC1(C(C)C)COC1;UJKXIYZGOXPDQR-UHFFFAOYSA-N;130.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181329;MM181329;CCC1(C(C)C)CCN1;WFVMLCGHFOOVDP-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181330;MM181330;CCC1(N(C)C)CCC1;AMIGNWLXRKBXPR-UHFFFAOYSA-N;127.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181331;MM181331;CN(C)C1(CN)CCC1;OJICYCRCZTYFAV-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181332;MM181332;CCC1(N(C)C)CNC1;TXDMINAYSPVFQC-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181333;MM181333;CN(C)C1(CN)CNC1;ALIDPXWHDPBICJ-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181334;MM181334;C=CC1(C(C)C)CCC1;BAYJHOIJEPURCK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181335;MM181335;CC(C)C1(C=O)CCC1;ZNNNVVAGQMBBME-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181336;MM181336;C=CC1(C(C)C)CNC1;JDTKEMYKAPQSSW-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181337;MM181337;CC(C)C1(C=O)CNC1;YQEBNMIAMYIKNL-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181338;MM181338;C=CC1(C(C)N)CNC1;WWPDGNCZBWMVRO-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181339;MM181339;C=CC1(C(C)C)COC1;GBNZEFSIWKANLN-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181340;MM181340;CC(C)C1(C=O)COC1;RNNQHHLFWJDPPC-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181341;MM181341;CC(C)C1(C#N)COC1;JPPQMFYGKHBCBT-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181342;MM181342;C=CC1(C(C)C)CCN1;IMJOZOYKDNXKFY-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181343;MM181343;C=CC1(C(C)C)CCO1;AFSFTYURGZSOJH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181344;MM181344;CN(C)C1(C#N)CCC1;ZZEAKIPYKTYAIS-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181345;MM181345;CN(C)C1(C#N)CNC1;DVFPRXOPULMMAL-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181346;MM181346;CN(C)C1(C#N)COC1;NJGQPBXFQSJJTO-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181347;MM181347;C#CC1(C(C)C)CCC1;SIXFTENOFDNSJI-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181348;MM181348;C#CC1(C(C)C)CNC1;BAMGOUVLXZDOFC-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181349;MM181349;C#CC1(C(C)N)CNC1;IFRNSDLTYKKCBJ-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181350;MM181350;C#CC1(C(C)N)COC1;FJCVDRIJLQMKBD-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181351;MM181351;C#CC1(N(C)C)CCC1;DXAHYKXUOSHYQM-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181352;MM181352;C#CC1(N(C)C)CNC1;VATUMZPJPVXLKG-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181353;MM181353;C=C(C)C1(CC)CCC1;HRQDWBNKZOEVJC-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181354;MM181354;C=C(C)C1(CN)CCC1;NTMNKAYQCJASHF-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181355;MM181355;N=c1on(O)c(=N)n1N;UQDNPNRVEIVKRM-UHFFFAOYSA-N;131.1;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181356;MM181356;CCC1(C(=N)N)CCC1;CBBGGZIBGOTJHU-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181357;MM181357;C=C(C)C1(NC)CCC1;ILVMQDFQMUFUTL-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181358;MM181358;C=C(C)C1(OC)CCC1;XWNJTNLQVZIENS-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181359;MM181359;C=C(C)C1(CC)CNC1;NABANADCILDUTN-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181360;MM181360;C=C(C)C1(CN)CNC1;MFDPMBJPENLYAL-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181361;MM181361;C=C(C)C1(CO)CNC1;OORHNUQEQHUVQT-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181362;MM181362;N=C(N)C1(CN)CNC1;UZHVGVYJEIBDPZ-UHFFFAOYSA-N;128.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181363;MM181363;C=C(C)C1(NC)CNC1;IETCVAXVJQUHEL-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181364;MM181364;C=C(C)C1(OC)CNC1;SRXKMRWXDUHNAE-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181365;MM181365;C=C(C)C1(CC)COC1;UKKARHZSHBUEHA-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181366;MM181366;C=C(C)C1(CN)COC1;BRDHDYKMVDYAOJ-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181367;MM181367;C=C(C)C1(CO)COC1;UOQPCVBAAIAIOV-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181368;MM181368;CCC1(C(=N)N)COC1;LWZGFGCEWMQHPH-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181369;MM181369;N=C(N)C1(CN)COC1;LFCOOVUCOSHYQF-UHFFFAOYSA-N;129.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181370;MM181370;CNC1(C(=N)N)COC1;BKCXCCAQGKQHNY-UHFFFAOYSA-N;129.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181371;MM181371;C=C(C)C1(OC)COC1;RKLCFRLMKSTTFU-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181372;MM181372;C=C(C)C1(CC)CCN1;AOBSQKRROLURLJ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181373;MM181373;C=C(C)C1(CN)CCN1;PJCAAKCJJMPWJU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181374;MM181374;C=C(C)C1(CO)CCN1;KQTCYYFRAVSYFJ-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181375;MM181375;C=C(C)C1(CN)CCO1;QRZDCHKMFJAURM-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181376;MM181376;C=C(C)C1(CO)CCO1;VMCIMRKTHKBVLG-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181377;MM181377;C=CC1(C(=C)C)CCC1;BGKXHJBBSOFYHS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181378;MM181378;C=C(C)C1(C=O)CCC1;AZTUIIBQHCNPPR-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181379;MM181379;C=C(C)C1(C#N)CCC1;PEYRJPOUUXXUGS-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181380;MM181380;C=CC1(C(=C)C)CNC1;WABSPWAVALMSJU-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181381;MM181381;C=C(C)C1(C=O)CNC1;QYXPPDTUEYKWAD-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181382;MM181382;C=CC1(C(=C)C)COC1;IWNHPAHWDCEPCG-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181383;MM181383;C=C(C)C1(C=O)COC1;HMQAGZGANPSTJT-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181384;MM181384;C=C(C)C1(C#N)COC1;IGWCHYPTIDKTQZ-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181385;MM181385;N#CC1(C(=N)N)COC1;SKQQWDHZXAAXMD-UHFFFAOYSA-N;125.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181386;MM181386;C=C(C)C1(C=O)CCO1;HBULREYQGSHVOZ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181387;MM181387;C#CC1(C(=C)C)CCC1;NLILFTPGKJYIMS-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181388;MM181388;C#CC1(C(C)=O)CNC1;DTDDQBQQIRVMJU-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181389;MM181389;C#CC1(C(=C)C)COC1;FRDSPQVUUGKEIJ-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181390;MM181390;C#CC(O)CN1CC1C;WSCDIBRDFDXYBB-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181391;MM181391;C=C(C)C1(CCF)CC1;FEXGVPVAZJOKII-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181392;MM181392;CCC1CC(C(C)C)C1;MKCYMFFKVFQUQO-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181393;MM181393;CC(C)C1CC(CN)C1;IGCDLJICVQUWJS-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181394;MM181394;NN=C1C=C(F)C(O)C1;BTWLUWSTLWXAFH-UHFFFAOYSA-N;130.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181395;MM181395;CC(C)C1CC(CF)C1;MGTIJTKRNYXXHR-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181396;MM181396;CCC1CC(C(C)N)C1;OXIWBBZZSAQNCP-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181397;MM181397;CC(N)C1CC(CN)C1;QEEDEJNOQQYNJB-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181398;MM181398;CC(N)C1CC(CO)C1;PZDKHXQNHIWQMM-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181399;MM181399;CC(O)C1CC(CN)C1;YQBSOTJAJIOUOB-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181400;MM181400;N=c1ccc(F)nn1O;VUOSHSHJJAWZBM-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181401;MM181401;CCC1CC(C(C)F)C1;HGSTZGPAJAPZGD-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181402;MM181402;CC(F)C1CC(CN)C1;PZSTVZQNANLMSG-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181403;MM181403;CC(F)C1CC(CF)C1;CQRGEINTBRRBEG-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181404;MM181404;CNC1CC(C(C)C)C1;LVBYVMDJKFGOHK-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181405;MM181405;CNC1CC(C(C)N)C1;VTIXJDXIGKDLMI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181406;MM181406;CNC1CC(C(C)O)C1;ACQVPIUUTIFVNT-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181407;MM181407;COC1CC(C(C)C)C1;YKNRMVKMABMFRK-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181408;MM181408;COC1CC(C(C)N)C1;DKFOIRPDCCFCSK-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181409;MM181409;COC1CC(C(C)O)C1;ONDLCQDONWMFER-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181410;MM181410;COC1CC(C(C)F)C1;YPDURNASWHAIJF-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181411;MM181411;CCC1CC(C(C)C)N1;KIUOQAVEAJOWRK-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181412;MM181412;CC(C)C1CC(CN)N1;TZTJCUPGWMXXJB-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181413;MM181413;CC(C)C1CC(CO)N1;DLCSZUXZUKXASK-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181414;MM181414;CC(C)C1CC(CF)N1;KSIWCAJMAOXYEI-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181415;MM181415;CCC1CC(C(C)N)N1;OMYUMQPFQBAQKN-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181416;MM181416;CC(N)C1CC(CN)N1;NKUPBCMCVNHPHD-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181417;MM181417;CC(N)C1CC(CO)N1;IZHXOOMIXJVLMG-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181418;MM181418;CC(N)C1CC(CF)N1;VDOCFXNBNINFBJ-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181419;MM181419;CCC1CC(C(C)O)N1;OWMYSPRQPBGKEH-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181420;MM181420;CC(O)C1CC(CN)N1;LIGKJEZJVNQVMV-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181421;MM181421;CC(O)C1CC(CO)N1;LCLYZAJFQZOKMD-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181422;MM181422;CC(O)C1CC(CF)N1;LTOVILDXXAVSIQ-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181423;MM181423;CC(F)C1CC(CN)N1;WZDDFGHSLVOFBI-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181424;MM181424;CC(F)C1CC(CO)N1;QOIGEEFWGAHAAY-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181425;MM181425;CCC1CC(C(C)C)O1;GWOYLVLQIXWVQY-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181426;MM181426;CC(C)C1CC(CN)O1;JROCITSECXZMKU-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181427;MM181427;CC(C)C1CC(CO)O1;LEHRJFOMGOCVQM-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181428;MM181428;CC(C)C1CC(CF)O1;OUFWOQPUJQCXNG-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181429;MM181429;CCC1CC(C(C)N)O1;RDHTYLYDVGQNLW-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181430;MM181430;CC(N)C1CC(CN)O1;YHMBJNCEUVAEPB-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181431;MM181431;CC(N)C1CC(CO)O1;OHJPEECTWGZMQZ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181432;MM181432;CC(N)C1CC(CF)O1;AWJVUSDFCXOVTF-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181433;MM181433;CC(O)C1CC(CN)O1;VTGJVLAWJQANCX-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181434;MM181434;CC(O)C1CC(CO)O1;JPDOFOSELRWFHS-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181435;MM181435;CC(O)C1CC(CF)O1;ACSNRGPHASVGCY-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181436;MM181436;CC(F)C1CC(CN)O1;DNYPHEPPQDCRGQ-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181437;MM181437;CC(F)C1CC(CO)O1;UBXVCNIBCHXSMZ-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181438;MM181438;CC(F)C1CC(CF)O1;VLVNACJZMOBYNA-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181439;MM181439;CCC1CC(N(C)C)C1;FIEKNKYLOVTHOT-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181440;MM181440;CN(C)C1CC(CN)C1;SKFBUDMRUFCRQW-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181441;MM181441;CN(C)C1CC(CO)C1;AUUKYXJUVPYSCS-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181442;MM181442;CNC1CC(N(C)C)C1;AMBBPUINQNRUPC-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181443;MM181443;CCN1CC(C(C)C)C1;WUNLDPHFXRAAGH-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181444;MM181444;CCN1CC(C(C)N)C1;YMGWVPQROFZHGD-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181445;MM181445;CCN1CC(C(C)O)C1;SVTGNOMCLINHFL-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181446;MM181446;CCC1CN(C(C)C)C1;WITUIIVEIDWBSK-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181447;MM181447;CC(C)N1CC(CN)C1;GJVBDCHBAIYRHG-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181448;MM181448;CC(C)N1CC(CO)C1;YRZBGXUHHQPDHT-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181449;MM181449;CNC1CN(C(C)C)C1;MVQNWPCNVVIJQW-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181450;MM181450;C=CC1CC(C(C)C)C1;BBJLQZSXDZLGPN-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181451;MM181451;CC(C)C1CC(C=O)C1;LMJUYUXIYQGDPN-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181452;MM181452;CC(C)C1CC(C#N)C1;XEWVZHYAIOXAFI-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181453;MM181453;C=CC1CC(C(C)N)C1;BPZKPMNPFOTIIY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181454;MM181454;C=Cc1n[nH]c(N)c1F;FRSKLCTVIKSJQM-UHFFFAOYSA-N;127.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181455;MM181455;CNc1c[nH]c(C=O)n1;RYJSUAZPKLCUQZ-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181456;MM181456;CC(=O)N(N)C(=O)C(C)O;VKHKXUGJKUALGX-UHFFFAOYSA-N;146.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181457;MM181457;C=CC1CC(C(C)F)C1;MFNAMBHTERTZQM-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181458;MM181458;CC(F)C1CC(C=O)C1;OOHCGOBUUFZLOM-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181459;MM181459;CC(F)C1CC(C#N)C1;OTBXPWQNOIRUHM-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181460;MM181460;C=CC1CC(C(C)C)N1;BNKRJYFNSFIWRM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181461;MM181461;CC(C)C1CC(C=O)N1;HLFYWIAWIMUOID-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181462;MM181462;C=CC1CC(C(C)N)N1;RUJGXSSAAHHVGW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181463;MM181463;C=CC1CC(C(C)O)N1;LPMVRXYXFLPJCF-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181464;MM181464;CC(C)ON=CC(O)CO;XWLLYDBSFKKBBD-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181465;MM181465;C=CC1CC(C(C)F)N1;FKYQOOHWOWUUCO-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181466;MM181466;C=CC1CC(C(C)C)O1;VNMJGVJJIJFYNT-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181467;MM181467;CC(C)C1CC(C=O)O1;MPXHWBYWCOMBSO-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181468;MM181468;C=CC1CC(C(C)N)O1;ORTCRHBBSKMZNM-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181469;MM181469;C=CC1CC(C(C)O)O1;VWNZYRHPJYSRTP-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181470;MM181470;CC(O)C1CC(C=O)O1;RMHAYSQSRTYPTB-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181471;MM181471;CC(O)C1CC(C#N)O1;HOVDXLYQEDUGTC-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181472;MM181472;C=CC1CC(C(C)F)O1;VYFIGDKJVRWZLI-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181473;MM181473;CC(F)C1CC(C=O)O1;GJZZYALTULDAKA-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181474;MM181474;CC(F)C1CC(C#N)O1;OQHFHVKWYPXFAU-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181475;MM181475;C=CC1CC(N(C)C)C1;FAMFGOATSCEKSR-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181476;MM181476;CN(C)C1CC(C=O)C1;JSDKHERJCAKCMM-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181477;MM181477;CN(C)C1CC(C#N)C1;NVLJIEPVRHYTCC-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181478;MM181478;CC(C)C1CN(C=N)C1;RUVFROJRKDCBTC-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181479;MM181479;CC(C)C1CN(C=O)C1;FINDTGVUBBXCFG-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181480;MM181480;CC(N)C1CN(C=N)C1;JOHAKDDQDZCCOE-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181481;MM181481;CC(N)C1CN(C=O)C1;KOEAPMUJAINOJJ-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181482;MM181482;CC(O)C1CN(C=N)C1;BLUQLOWKPJTIJE-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181483;MM181483;CC(O)C1CN(C=O)C1;YBFMGUNWTZUIQQ-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181484;MM181484;CC(F)C1CN(C=N)C1;AIXVXXPZQVMEEM-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181485;MM181485;CC(F)C1CN(C=O)C1;PVBSEMOGCGKITC-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181486;MM181486;C=NN1CC(C(C)C)C1;MHAKMVCQJSGUJK-UHFFFAOYSA-N;126.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181487;MM181487;C=NN1CC(C(C)N)C1;QULKHQWUHWCONV-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181488;MM181488;CC(=NN)C(O)C=C(F)F;IQESBIYRNXTALG-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181489;MM181489;CN(C)C1CN(C=N)C1;XYFKKQMJRFAVNP-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181490;MM181490;C#CC1CC(C(C)C)C1;CSQLUZSSLASBAR-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181491;MM181491;CC=NN=CNNC(C)=O;OQPJXALTXJSEEX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181492;MM181492;C#CC1CC(C(C)F)C1;PLINWVJBXPAEPT-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181493;MM181493;C#CC1CC(C(C)C)N1;UGPJCIIYNZLKIN-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181494;MM181494;C#CC1CC(C(C)N)N1;HALAIPFHSOGIDM-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181495;MM181495;C#CC1CC(C(C)O)N1;ICBKPEBZBFWEFO-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181496;MM181496;C#CC1CC(C(C)C)O1;HDFXITMPESKKOL-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181497;MM181497;C#CC1CC(C(C)F)O1;JYQATYWPBOJYDG-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181498;MM181498;C#CC1CC(N(C)C)C1;UPGMVLXQIKMIGW-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181499;MM181499;C=C(C)C1CC(CC)C1;OTYQIZDAYRUTRE-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181500;MM181500;C=C(C)C1CC(CN)C1;JQYAEMCJJJTLCM-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181501;MM181501;NN=CC(O)CC#CCO;XFFWZANPTZQKQL-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181502;MM181502;C=C(C)C1CC(CF)C1;PEMRUYFWRLLIKI-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181503;MM181503;CNN(C=O)C(=O)C(C)O;YONPVLGNAUXUMH-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181504;MM181504;CC(=O)C1CC(CF)C1;SHMMFADKFHTZCS-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181505;MM181505;CCC1CC(C(=N)N)C1;FSORLEZPGKZXCE-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181506;MM181506;N=C(N)C1CC(CN)C1;XLZJHLLVBFCHFM-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181507;MM181507;N=C(N)C1CC(CO)C1;NXNYIBFXJOEFPK-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181508;MM181508;N=C(N)C1CC(CF)C1;YJMJPFBLUOMOSR-UHFFFAOYSA-N;130.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181509;MM181509;NCC1CC(C(N)=O)C1;NKQMZCZYQFCPMJ-UHFFFAOYSA-N;128.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181510;MM181510;CN=C(NO)C(=O)C(F)F;WBBWRMUGVVEXRC-UHFFFAOYSA-N;152.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181511;MM181511;NC(=O)C1CC(CF)C1;BMMWAHQPRAHWDG-UHFFFAOYSA-N;131.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181512;MM181512;O=C(O)C1CC(CF)C1;CXSJFWUBXJRTNT-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181513;MM181513;C=C(F)C1CC(CC)C1;SEZGIPZKBCJBKC-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181514;MM181514;C=C(F)C1CC(CF)C1;VMDLUMHMYBMRSE-UHFFFAOYSA-N;132.15;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181515;MM181515;C=C(C)C1CC(NC)C1;NLVAVLKGJXNEHS-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181516;MM181516;CNC1CC(C(C)=O)C1;JGHGFOCIKYTEQE-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181517;MM181517;CNC1CC(C(=N)N)C1;BLOQVZBVJZNENU-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181518;MM181518;CNC1CC(C(N)=O)C1;KWUGBUIYLPRKLH-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181519;MM181519;C=C(C)C1CC(OC)C1;VHYHHSQVHZOKLV-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181520;MM181520;COC1CC(C(=N)N)C1;OVEOBAWIQOUEOE-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181521;MM181521;C=C(C)C1CC(CC)N1;DWMYFTCDTCXKHI-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181522;MM181522;C=C(C)C1CC(CN)N1;NGZOEJZYQZCACU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181523;MM181523;C=C(C)C1CC(CO)N1;OMSMDIZUMXOLEP-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181524;MM181524;C=C(C)C1CC(CF)N1;ZHGUPWXBDVUTRT-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181525;MM181525;CCC1CC(C(=N)N)N1;SDGYNLPUIOPWQW-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181526;MM181526;N=C(N)C1CC(CN)N1;FFSXGTFRJXMGJK-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181527;MM181527;N=C(N)C1CC(CO)N1;LMJFYUWZJQVFRP-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181528;MM181528;N=C(N)C1CC(CF)N1;DMNLFONQXZKBOH-UHFFFAOYSA-N;131.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181529;MM181529;C=C(C)C1CC(CC)O1;HWGWLPZPXHDRSC-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181530;MM181530;C=C(C)C1CC(CN)O1;INRGQNJQEONUFY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181531;MM181531;C=C(C)C1CC(CO)O1;VHIHOBCMUMWSQO-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181532;MM181532;C=C(C)C1CC(CF)O1;ZGOLBRFBWCGCDX-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181533;MM181533;CC(=O)C1CC(CO)O1;JPSMDVQRIBIXJY-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181534;MM181534;CC(=O)C1CC(CF)O1;LGWBQPDENFASRV-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181535;MM181535;CCC1CC(C(=N)N)O1;LOWJZTONWIEAIW-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181536;MM181536;N=C(N)C1CC(CN)O1;OKGJOFJKENWBAR-UHFFFAOYSA-N;129.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181537;MM181537;N=C(N)C1CC(CO)O1;YYIYMJVJCYVRGG-UHFFFAOYSA-N;130.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181538;MM181538;N=C(N)C1CC(CF)O1;AQPQNSDCJOWQNT-UHFFFAOYSA-N;132.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181539;MM181539;C=C(C)C1CN(CC)C1;UNIBODYACJGGKI-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181540;MM181540;CCN1CC(C(=N)N)C1;NNAHDQXBQRZIJD-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181541;MM181541;CCN1CC(C(N)=O)C1;JDDRQZFRWLZOIR-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181542;MM181542;CCC1CN(C(C)=N)C1;CRGBIWCQYYUTLS-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181543;MM181543;CC(=N)N1CC(CN)C1;SSTNBIHFUMETMT-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181544;MM181544;CC(=N)N1CC(CO)C1;IHXGZBVIQDANPD-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181545;MM181545;CCC1CN(C(C)=O)C1;NJSKTHTVJYDWLG-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181546;MM181546;CC(=O)N1CC(CN)C1;YUTLQJWEGKHPKK-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181547;MM181547;CC(=O)N1CC(CO)C1;KINXUALDMMDUBG-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181548;MM181548;CC(=O)N1CC(CF)C1;SIXCFUKBYPOOMP-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181549;MM181549;CCC1CN(C(=N)N)C1;GFOZFQLYFJCXMB-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181550;MM181550;N=C(N)N1CC(CN)C1;NXBXVYSSRULMKX-UHFFFAOYSA-N;128.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181551;MM181551;N=C(N)N1CC(CO)C1;FDMHHLQLTFKBDW-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181552;MM181552;N=C(N)N1CC(CF)C1;YWCFECSPKFIXEV-UHFFFAOYSA-N;131.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181553;MM181553;CCC1CN(C(N)=O)C1;QUGFQGVVHPBUNU-UHFFFAOYSA-N;128.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181554;MM181554;NCC1CN(C(N)=O)C1;CTPMHNRIGIGCPF-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181555;MM181555;NC(=O)N1CC(CF)C1;HFZUPOVSTSCODS-UHFFFAOYSA-N;132.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181556;MM181556;CNC1CN(C(C)=N)C1;ITKIIWFKSSQLIW-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181557;MM181557;CNC1CN(C(C)=O)C1;ZGBRXGKUSFKIKS-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181558;MM181558;CNC1CN(C(=N)N)C1;AJROTQZVNONUJH-UHFFFAOYSA-N;128.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181559;MM181559;CNC1CN(C(N)=O)C1;AOFSAUNKZWHBLP-UHFFFAOYSA-N;129.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181560;MM181560;COC1CN(C(C)=N)C1;NZOSKVKVVZVJCJ-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181561;MM181561;COC1CN(C(C)=O)C1;PJWZXERAARFIRC-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181562;MM181562;COC1CN(C(=N)N)C1;FNUUPVQTUZCULJ-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181563;MM181563;COC1CN(C(N)=O)C1;XIIBRLWSJGKEJJ-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181564;MM181564;C=CC1CC(C(=C)C)C1;KDYBWLSIHQQBQN-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181565;MM181565;C=C(C)C1CC(C=O)C1;DBVAYHNDKHBCSG-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181566;MM181566;C=C(C)C1CC(C#N)C1;BWRZMUQESPKASE-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181567;MM181567;CC(=O)C1CC(C=O)C1;IDOTWDKQUGAGEV-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181568;MM181568;CC(=O)C1CC(C#N)C1;YLPYZJXQQHRDBQ-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181569;MM181569;C=CC1CC(C(=N)N)C1;DMRQDKBPUZCUNU-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181570;MM181570;N=C(N)C1CC(C=O)C1;HGQUNJZERIRCDV-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181571;MM181571;N#CC1CC(C(=N)N)C1;RTQDAJCTETXVNG-UHFFFAOYSA-N;123.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181572;MM181572;CC(O)C(O)COC=NN;OTSXOODBBKMIOZ-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181573;MM181573;N#CC1CC(C(N)=O)C1;SHCSPLMFNLILGU-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181574;MM181574;C=CC1CC(C(=O)O)C1;XPYWFYIRUKSWOD-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181575;MM181575;O=Cc1cc(O)c(F)o1;GQIYEOFSVQQXHO-UHFFFAOYSA-N;130.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181576;MM181576;N#CC1CC(C(=O)O)C1;AJZROLCXFIZNQX-UHFFFAOYSA-N;125.13;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181577;MM181577;C=CC1CC(C(=C)F)C1;DBTPMAFRIFLUMR-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181578;MM181578;C=C(F)C1CC(C=O)C1;FGBBLMUBLSGRSY-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181579;MM181579;C=C(F)C1CC(C#N)C1;OILPPFXKAPGYDC-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181580;MM181580;C=CC1CC(C(=C)C)N1;QBVHFDKGUXGBOZ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181581;MM181581;C=C(C)C1CC(C#N)N1;MGHWKTRBPFQRQK-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181582;MM181582;CCN=C(N)C(=O)C(N)=O;LTYCBYKQPKDYFT-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181583;MM181583;C=CC1CC(C(=N)N)N1;DMRKAYOJRIQYQH-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181584;MM181584;N#CC1CC(C(=N)N)N1;UXPXMTWLZDLOFH-UHFFFAOYSA-N;124.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181585;MM181585;Cc1cc(=N)n(O)nc1F;ANRLXNNOSQASKL-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181586;MM181586;O=c1cc(CO)nnn1O;PBHAMFOCSXYMGZ-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181587;MM181587;C=CC1CC(C(=C)C)O1;PCOVPQWRAODKCU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181588;MM181588;C=C(C)C1CC(C=O)O1;PZOFOHROJOUYEO-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181589;MM181589;C=C(C)C1CC(C#N)O1;FJLKOGGALNFKKS-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181590;MM181590;CC(=O)C1CC(C=O)O1;XETABMBNFPIHIH-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181591;MM181591;CC(=O)C1CC(C#N)O1;AGGBIYYAXZPBLE-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181592;MM181592;C=CC1CC(C(=N)N)O1;GRPTTZYHOJIDJW-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181593;MM181593;N#CC1CC(C(N)=O)O1;NTRCSXOHHNMHHP-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181594;MM181594;C=C(C)C1CN(C=N)C1;UXNYSTYOXBYMOV-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181595;MM181595;C=C(C)C1CN(C=O)C1;CBJXXCYUDKMMLF-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181596;MM181596;CC(=O)C1CN(C=N)C1;RPBHLMALEMSRDF-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181597;MM181597;C=CC(C=C)CC(=O)NN;MKKMRIIUSNXQRU-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181598;MM181598;N=CN1CC(C(=N)N)C1;GDBASNJIZDFOIE-UHFFFAOYSA-N;126.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181599;MM181599;N=C(N)C1CN(C=O)C1;WTOBCDYRIXHHMB-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181600;MM181600;N=CN1CC(C(N)=O)C1;QXALNZOGTBXJEV-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181601;MM181601;NC(=O)C1CN(C=O)C1;DVVOCYDAYPHICC-UHFFFAOYSA-N;128.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181602;MM181602;C=NN1CC(C(=C)C)C1;GVEFFOPHNATCIU-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181603;MM181603;N#CC(C#N)NC(=N)CF;UZDUVLHOCOZQSG-UHFFFAOYSA-N;140.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181604;MM181604;C=NN1CC(C(=N)N)C1;GVLLRYBJKODGPR-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181605;MM181605;C=Cc1coc(C#N)c1O;RBBPXOSYTOEJMQ-UHFFFAOYSA-N;135.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181606;MM181606;C=CC1CN(C(C)=N)C1;YQCLSRUHWJLQBG-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181607;MM181607;CC(=N)N1CC(C=O)C1;QNIJQHQDSBYQHM-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181608;MM181608;CC(=N)N1CC(C#N)C1;DVSHVVNMKZWJNR-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181609;MM181609;C=CC1CN(C(C)=O)C1;DLENEOSAQGCVNS-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181610;MM181610;C=CC(O)C(F)C(=N)NN;QDUNPQCHKDSNQC-UHFFFAOYSA-N;147.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181611;MM181611;CC(=O)N1CC(C#N)C1;AAQZFAVTUWYUOA-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181612;MM181612;C=CC1CN(C(=N)N)C1;AOZDAABALGDHCH-UHFFFAOYSA-N;125.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181613;MM181613;N=C(N)N1CC(C=O)C1;QKJXZBMVADZIRC-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181614;MM181614;N#CC1CN(C(=N)N)C1;SGVSDBKTEDASSB-UHFFFAOYSA-N;124.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181615;MM181615;C=CC1CN(C(N)=O)C1;XKTYNPQTMDRCGM-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181616;MM181616;NC(=O)N1CC(C=O)C1;RIFQWXQZFUDDPL-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181617;MM181617;N#CC1CN(C(N)=O)C1;DTCMPILVGXOFCH-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181618;MM181618;C#CC1CC(C(=C)C)C1;QMADVCFVZTYMBG-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181619;MM181619;C#CC1CC(C(C)=O)C1;RCNPOAIQOVGSRC-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181620;MM181620;C#CC1CC(C(=N)N)C1;XGURYPCXXCTIMV-UHFFFAOYSA-N;122.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181621;MM181621;C#CC1CC(C(N)=O)C1;UFMACIIGNSFIEH-UHFFFAOYSA-N;123.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181622;MM181622;C#CC1CC(C(=O)O)C1;XJHVFKCXYHNJBJ-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181623;MM181623;C#CC1CC(C(=C)F)C1;MFOLQKZBOZLGHG-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181624;MM181624;C#CC1CC(C(=C)C)N1;QJRYZHINBCMBQT-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181625;MM181625;C#CC1CC(C(=C)C)O1;QOCVGBYXAUYEHY-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181626;MM181626;C#CC1CC(C(C)=O)O1;HXENEGMTLFUEHT-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181627;MM181627;C#CC1CN(C(C)=N)C1;RQMUJHUBWYIIRC-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181628;MM181628;C#CC1CN(C(C)=O)C1;WLKVDLMVVZJUKK-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181629;MM181629;C#CC1CN(C(=N)N)C1;ORVHXLSHEAQDOG-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181630;MM181630;C#CC1CN(C(N)=O)C1;WFUSOOUGXDZDHF-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181631;MM181631;O=c1ccoc(=O)cc1;KHRCPRFNDVZQRR-UHFFFAOYSA-N;124.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181632;MM181632;N=c1ccoc(=O)cn1;LOTYTOZICMSAQV-UHFFFAOYSA-N;124.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181633;MM181633;O=c1ccoc(=O)cn1;XTOCEEULFWACLJ-UHFFFAOYSA-N;125.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181634;MM181634;N=c1ncoc(=O)cn1;LUGAAOVEYIJMKM-UHFFFAOYSA-N;125.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181635;MM181635;O=c1ncoc(=O)cn1;MPZVLMYAVWNKSP-UHFFFAOYSA-N;126.07;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181636;MM181636;O=c1ncc(=O)onn1;JOLICZSLOITKJZ-UHFFFAOYSA-N;127.06;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181637;MM181637;Oc1oc(O)c(O)c1O;BLBBMBKUUHYSMI-UHFFFAOYSA-N;132.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181638;MM181638;CC1CC1OC(C#N)=NO;CPTFHBFTRZYKSR-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181639;MM181639;N=c1ncc(=O)cco1;ZDQGRZYOIWTPMU-UHFFFAOYSA-N;124.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181640;MM181640;O=c1ccoc(=O)nc1;SAPJWGTWFUSLSR-UHFFFAOYSA-N;125.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181641;MM181641;N=c1ncc(=O)cno1;YKEAEDQOLHDNPS-UHFFFAOYSA-N;125.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181642;MM181642;O=c1cnoc(=O)nc1;IHYMIDZBZXPLIR-UHFFFAOYSA-N;126.07;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181643;MM181643;N=c1ncc(=O)nco1;UQXNMOJYAMCTPJ-UHFFFAOYSA-N;125.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181644;MM181644;O=c1cnc(=O)ocn1;BRLSGWMDDKINOX-UHFFFAOYSA-N;126.07;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181645;MM181645;N=c1cc[nH]c(=O)nn1;YWAQHHSDEXFTDA-UHFFFAOYSA-N;124.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181646;MM181646;O=c1cc[nH]c(=O)nn1;ZGPPGZADYJDWSR-UHFFFAOYSA-N;125.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181647;MM181647;N=c1cn[nH]c(=O)nn1;XRTMUTZEWCJPEX-UHFFFAOYSA-N;125.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181648;MM181648;C#Cc1nn(N)c(=O)n1O;UQOYICUJLCKGSF-UHFFFAOYSA-N;140.1;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181649;MM181649;CCc1nn(N)c(=O)n1O;PILDGDXGHHTDJO-UHFFFAOYSA-N;144.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181650;MM181650;N#CC(C#CC1CC1)=NO;VVLUPRDBJRQLGJ-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181651;MM181651;O=c1nn[nH]c(=O)nn1;PUPPPQKCHMGJOS-UHFFFAOYSA-N;127.06;-2.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181652;MM181652;N=c1ccoc(=N)nn1;OZEANNNMYCHMSN-UHFFFAOYSA-N;124.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181653;MM181653;N=c1nnc(=O)cco1;LDOCZTYOOIYGMO-UHFFFAOYSA-N;125.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181654;MM181654;N=c1ccoc(=O)nn1;DZTQKDMXYXIZII-UHFFFAOYSA-N;125.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181655;MM181655;O=c1ccoc(=O)nn1;OQEGEFNSNQNMSY-UHFFFAOYSA-N;126.07;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181656;MM181656;N=c1cnoc(=N)nn1;LAKIHAYSUSRQNW-UHFFFAOYSA-N;125.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181657;MM181657;N=c1nnc(=O)cno1;WHUZCMZMTLAJHY-UHFFFAOYSA-N;126.08;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181658;MM181658;N=c1cnoc(=O)nn1;WMQCJQFQDMTITG-UHFFFAOYSA-N;126.08;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181659;MM181659;O=c1cnoc(=O)nn1;KVFLXKBHRZKPFA-UHFFFAOYSA-N;127.06;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181660;MM181660;N=c1ncoc(=N)nn1;KCUJVDOGLYQBSK-UHFFFAOYSA-N;125.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181661;MM181661;N=c1nnc(=O)nco1;BISDGJAUBOVPBC-UHFFFAOYSA-N;126.08;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181662;MM181662;N=c1ncoc(=O)nn1;COHOTSJRAZDFPV-UHFFFAOYSA-N;126.08;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181663;MM181663;O=c1ncoc(=O)nn1;WPIVMZLEGORYDH-UHFFFAOYSA-N;127.06;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181664;MM181664;N=c1nnc(=O)nno1;OCAGMALNOIMTLQ-UHFFFAOYSA-N;127.06;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181665;MM181665;N=c1nnoc(=O)nn1;QYLXFLGOHKBHKQ-UHFFFAOYSA-N;127.06;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181666;MM181666;O=c1nnoc(=O)nn1;PPKKTKWHCFQHNR-UHFFFAOYSA-N;128.05;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181667;MM181667;CC1CC(C)C(C)C1C;INYXDKODFMWKER-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181668;MM181668;CC1CC(N)C(C)C1C;YANHPQGXZANNDL-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181669;MM181669;CN=C(N)C(F)C(=O)C=O;IMLCGCVKELBFOO-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181670;MM181670;CC1CC(F)C(C)C1C;WLQUYHJYDZIWQB-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181671;MM181671;CC1C(N)CC(N)C1C;HBNJHDDVPIENGJ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181672;MM181672;CC1C(N)CC(O)C1C;ZTZHSUDWHYQCTJ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181673;MM181673;CC1C(O)CC(O)C1C;IBGBNLPQUKZHJN-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181674;MM181674;CC1CC(C)C(N)C1C;PBPVYQFTUUTUSR-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181675;MM181675;CC1CC(O)C(N)C1C;IRWPIODHFBHZAB-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181676;MM181676;CC1CC(N)C(C)C1N;YLGWJQWRFABTSH-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181677;MM181677;CC1C(N)CC(N)C1N;TZWVHZURJDCUCZ-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181678;MM181678;CC1C(N)CC(O)C1N;PYOWJYDOMRBCOU-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181679;MM181679;CC1C(O)CC(O)C1N;VSMUCYFQAXWLLD-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181680;MM181680;CC1C(O)CC(F)C1N;JKGSJXASZRKWPG-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181681;MM181681;CC1CC(F)C(C)C1N;IAINZRHGNBSWKO-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181682;MM181682;CC1CC(N)C(C)C1O;BVZBHIBNPBLTJI-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181683;MM181683;CC1CC(C)C(F)C1C;FSWPDAYCDDWXFE-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181684;MM181684;CC1CC(N)C(C)C1F;GSMQJNNHKMONQQ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181685;MM181685;CC1C(N)CC(N)C1F;YGJIGIHZDIMRJX-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181686;MM181686;CC1C(F)CC(N)C1F;WCMZCGCDARSPRK-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181687;MM181687;CC1CC(C)C(N)C1N;SZBCYFZWCRSQJP-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181688;MM181688;CC1CC(F)C(N)C1N;NYWRPYVQFKEIHG-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181689;MM181689;NC1CC(N)C(N)C1N;BSZJHGJWHDBOBQ-UHFFFAOYSA-N;130.2;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181690;MM181690;CC1CC(C)C(O)C1N;PYSXNWCDNHPPDF-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181691;MM181691;CC1CC(O)C(O)C1N;RFLAQWMQMNVZSK-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181692;MM181692;CC1CC(C)C(O)C1O;HRFAQTLGZYUGEP-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181693;MM181693;CC1NC(C)C(C)C1C;OILCKFMEPIHVTL-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181694;MM181694;CC1NC(C)C(N)C1C;QIYAAIMFYUNPSM-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181695;MM181695;CC1NC(C)C(N)C1N;MYCKINHYNGUUMP-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181696;MM181696;CC1OC(C)C(C)C1C;NCFAMFYCBVOFCN-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181697;MM181697;CC1OC(C)C(N)C1C;KTYSMWXLTWWJAY-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181698;MM181698;CC1CN(C)C(C)C1C;JJPMREHOZHHZSH-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181699;MM181699;CC1C(N)CN(C)C1C;KDFCLZZMWYHNOA-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181700;MM181700;CC1CN(C)C(C)C1N;ZWNKAUCVPXYFLH-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181701;MM181701;CC1CN(C)C(C)C1O;ZAANHQAXSHTNDT-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181702;MM181702;CC1CN(C)C(C)C1F;IAHNFPWHGPRJPP-UHFFFAOYSA-N;131.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181703;MM181703;CC1CC(C)N(C)C1C;VQFOEBQUNQTDOR-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181704;MM181704;CC1CC(N)C(C)N1C;GTAPZAJMLAFDKC-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181705;MM181705;CC1CC(O)C(C)N1C;VDVPKSQJJNHBMD-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181706;MM181706;CC1CC(F)C(C)N1C;OICLNHBZXPKALD-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181707;MM181707;C=C1CC(C)C(C)C1C;ZKFVIXTVEDSHNQ-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181708;MM181708;CC1CC(=O)C(C)C1C;WJJQRAOMTFGCCU-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181709;MM181709;C=C1CC(N)C(C)C1C;OYTIZWMEMQZXCR-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181710;MM181710;C#CC(O)C(C)CON=C;BDGPYJGEMJCPDX-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181711;MM181711;CC1C(=O)CC(O)C1C;LQFQOTBIQLUKMN-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181712;MM181712;C=C1CC(F)C(C)C1C;QSLXKRFSIICXJV-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181713;MM181713;CC1C(=O)CC(F)C1C;ZRVZJZUSQBSGJJ-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181714;MM181714;C=C1CC(C)C(C)C1N;NSYLDZZSKZDXCJ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181715;MM181715;C=C1CC(N)C(C)C1N;KDBAQEJBWVOTMC-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181716;MM181716;C=C1CC(O)C(C)C1N;HBAHMYIUHGNEAN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181717;MM181717;C=C1CC(F)C(C)C1N;VIFRHNMQNDZTPE-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181718;MM181718;CCC=CC(C)C(=O)NN;OLOODTGLAIEIEH-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181719;MM181719;C=C1CC(N)C(C)C1O;HVPHROSQHRZRMZ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181720;MM181720;C=C1CC(F)C(C)C1O;NAWOPTKPCGLHGB-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181721;MM181721;C=C1CC(N)C(C)C1F;LCVOJQFNCGERPG-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181722;MM181722;C=C1CC(O)C(C)C1F;WXSPWMSXTWKJEY-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181723;MM181723;C=C1CC(C)C(N)C1C;OIZVWXARXGJQJG-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181724;MM181724;C=C1CC(N)C(N)C1C;ZZJUTWLAZZVVAL-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181725;MM181725;C=C1CC(O)C(N)C1C;GCTPJYAXMRXHHX-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181726;MM181726;C=C1CC(C)C(N)C1N;BZRYUOBVINNVOM-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181727;MM181727;C=C1CC(C)C(N)C1O;PXBSBTVRSXHHMN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181728;MM181728;C=C1CC(N)C(N)C1O;RSZMTAVXOAKQBC-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181729;MM181729;C=C(C=CCC)C(=O)NN;SYVQRRYADUHRFR-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181730;MM181730;CC1CC(=O)C(C)C1O;DAVBPDBTTAIEKH-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181731;MM181731;C=C1CC(N)C(O)C1C;SKHYSTANFFDSFG-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181732;MM181732;C=C1CC(C)C(O)C1N;XPBVPUYUAOFXAX-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181733;MM181733;C=C1CC(N)C(O)C1O;FKFCOBIIDTYWPO-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181734;MM181734;C=C1CC(C)C(F)C1C;JAGYRPQYKBCXSS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181735;MM181735;CC1CC(=O)C(C)C1F;ZCFPCAKGBZEXPS-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181736;MM181736;C=C1CC(N)C(F)C1C;RQODVGKQQNCSNZ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181737;MM181737;C=C1CC(C)C(F)C1N;WCMBNSVFEKSWRD-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181738;MM181738;CC1NC(=N)C(C)C1C;HQAKDZXVCIXFQF-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181739;MM181739;CC1NC(=O)C(C)C1C;SOPHRCJZGNBNCM-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181740;MM181740;CC1NC(=N)C(N)C1C;VQJUCSOMVFCLBX-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181741;MM181741;CC1NC(=O)C(N)C1C;PMHDNZVVVACNAZ-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181742;MM181742;CC1NC(=O)C(O)C1C;DKJNPZSRLILVSZ-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181743;MM181743;CC1NC(=N)C(C)C1N;VMCJZRPZGRYFNF-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181744;MM181744;CC1NC(=O)C(C)C1N;JDOMXCYTQGMGQR-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181745;MM181745;CC1NC(=N)C(C)C1O;YTLSRYPHVFOQBV-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181746;MM181746;CC1NC(=O)C(C)C1O;AXGOQAKOHASVLT-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181747;MM181747;CC1NC(=N)C(C)C1F;GXMLKOQGXVTZBD-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181748;MM181748;CC1NC(=O)C(C)C1F;CWOYCDALPRBRNU-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181749;MM181749;C=C1OC(C)C(C)C1C;MWNDUSSGSVLVEF-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181750;MM181750;CC1OC(=O)C(C)C1C;JZIORVLQWOYSTQ-UHFFFAOYSA-N;128.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181751;MM181751;C=C1OC(C)C(C)C1O;XVXPVEYVEFWAHR-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181752;MM181752;CC1OC(=O)C(O)C1C;OCIRUFLKJHXXGD-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181753;MM181753;C=C1OC(C)C(N)C1C;HFYWUIKNJLXNLF-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181754;MM181754;CC1OC(=O)C(C)C1N;PJCDRLVXKGLKCY-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181755;MM181755;C=C1OC(C)C(N)C1N;WDCDHHUYHYCDRS-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181756;MM181756;C=C1OC(C)C(O)C1C;UQFAORQZSQUTAI-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181757;MM181757;CC1OC(=O)C(C)C1O;BSTCHFGEIXFVRN-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181758;MM181758;C=C1OC(C)C(O)C1N;FTFBYCPFTLBNLU-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181759;MM181759;C=C1OC(C)C(F)C1C;UYNRXYKBJPIQAZ-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181760;MM181760;C=C1CN(C)C(C)C1C;ARRVIEFHABINTM-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181761;MM181761;C=C1CN(C)C(C)C1N;VCBOHYATECENEX-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181762;MM181762;C=C1CN(C)C(C)C1O;LHJZATAZHGXNKL-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181763;MM181763;CC1C(=N)NN(C)C1C;AVLIAGAKMJZMPH-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181764;MM181764;CC1C(=O)NN(C)C1C;VFAMRWJCOHLVQG-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181765;MM181765;CC1CC(=N)N(C)C1C;QWQUTWOCAQPCCJ-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181766;MM181766;CC1CC(=O)N(C)C1C;WWMXPOREQCEALF-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181767;MM181767;CC1C(N)CC(=N)N1C;PHFIKPYNBFEXKM-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181768;MM181768;CC1C(N)CC(=O)N1C;PXYYNFRGSOKOLA-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181769;MM181769;CC1C(O)CC(=N)N1C;KEVJKCJCCHLEBC-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181770;MM181770;CC1C(O)CC(=O)N1C;BMZYUVDMIFVGRE-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181771;MM181771;CC1C(F)CC(=N)N1C;GJAVXKMMJMLMHI-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181772;MM181772;CC1CC(=N)N(N)C1C;BYYBGQLTDNKQIC-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181773;MM181773;CC1CC(=O)N(N)C1C;RAWMINOFOCFBFZ-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181774;MM181774;CC1C(O)CC(=N)N1N;HDOWWFGLFIQYLC-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181775;MM181775;CNN=CCNC(=O)CO;WSZQOULNFMGFMQ-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181776;MM181776;CC1C(F)CC(=N)N1N;FUIZIOYUGWGQPG-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181777;MM181777;C=CCON=CC(O)CO;DWECYVKPLQJARZ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181778;MM181778;CC1CC(=N)N(O)C1C;MGKMKCOKLADMLX-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181779;MM181779;CC1C(N)CC(=N)N1O;GDUUAHXRGOGZRE-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181780;MM181780;CC1NC(=N)N(C)C1C;GLYCSYMPFBRSSR-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181781;MM181781;CC1NC(=O)N(C)C1C;WKCKAXQBHXZZCB-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181782;MM181782;CC1NC(=N)N(N)C1C;YZBSQSQXLBVLLD-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181783;MM181783;N#CCON=CC(O)CO;RXNSEMZLXQREEM-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181784;MM181784;CC1NC(=N)N(O)C1C;KLDIDZHUIOULQO-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181785;MM181785;CC1NC(=O)N(O)C1C;IRBXEURMCQMGHE-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181786;MM181786;CC1OC(=O)N(C)C1C;MEOAMYWMYLCHDY-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181787;MM181787;CC1OC(=O)N(N)C1C;FHSPXQKGDSRSQP-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181788;MM181788;C#CCON=CC(O)CO;LFQIALNCAWEVEH-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181789;MM181789;C=C1CC(C)N(C)C1C;UVAVVOFKHQZKMM-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181790;MM181790;CC1CC(=N)N(C)N1C;SEZJNPDDMPMCTL-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181791;MM181791;CC1CC(=O)N(C)N1C;NQNKIZYLJSSQHD-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181792;MM181792;C=C1CC(=C)C(C)C1C;URMLTVCRNSVDLG-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181793;MM181793;C=C1CC(=O)C(C)C1C;GHEJWHIPVARALG-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181794;MM181794;C=C1CC(=C)C(N)C1C;KYORXMYAYCYWOM-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181795;MM181795;C#CC(O)C=CCNN=C;JOHBDGNOVWOKBS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181796;MM181796;C=C1CC(=O)C(C)C1O;PZCAPOUCKWXWQD-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181797;MM181797;C=C1CC(=C)C(F)C1C;BNTJLXHNVYVLDA-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181798;MM181798;C=C1CC(=O)C(C)C1F;KTANJKUZCYQFDH-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181799;MM181799;C=C1CC(=C)C(N)C1N;WMYJODPWTQHDQM-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181800;MM181800;C=C1CC(=C)C(O)C1N;MJJPBNQTBDMSFC-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181801;MM181801;C=C1CC(=C)C(F)C1N;FVVIBGKMDRAWEC-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181802;MM181802;C=C1CC(=C)C(O)C1O;OHTLTUYJSWQFQG-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181803;MM181803;C=C1NC(=N)C(C)C1C;XGRMNFRPQNLWKW-UHFFFAOYSA-N;124.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181804;MM181804;C=C1NC(=O)C(C)C1C;DNODZCHVPPRHKF-UHFFFAOYSA-N;125.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181805;MM181805;CC1C(=N)NC(=N)C1C;LKMPVSHAKVDNTK-UHFFFAOYSA-N;125.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181806;MM181806;N#CCNC1CC1(O)CF;OEVXQBPUFRGAPP-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181807;MM181807;CC1C(=O)NC(=O)C1C;KKDOXQYWUITYNG-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181808;MM181808;C=C1NC(=N)C(N)C1C;CUZYDWOPHSHBDY-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181809;MM181809;C=C1NC(=N)C(C)C1N;BJYHCHISEHUOCQ-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181810;MM181810;CC1C(=N)NC(=N)C1N;PFCVJJNUQWLKON-UHFFFAOYSA-N;126.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181811;MM181811;C=C1NC(=O)C(C)C1N;DQMJGDHDQAHELR-UHFFFAOYSA-N;126.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181812;MM181812;C=C1NC(=N)C(O)C1C;PWGIKNXHNXKFKR-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181813;MM181813;C=C1NC(=N)C(C)C1O;APODTYGCZLXKFJ-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181814;MM181814;C=C1NC(=O)C(C)C1O;FDLLSEAVDVKXRV-UHFFFAOYSA-N;127.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181815;MM181815;C=C1NC(=N)C(C)C1F;KQEBXPBCWXETOH-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181816;MM181816;C=C1NC(=O)C(C)C1F;VCMBTXNIKLSFEG-UHFFFAOYSA-N;129.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181817;MM181817;C=C1NC(=N)C(N)C1N;YKLWCQIFRAPERX-UHFFFAOYSA-N;126.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181818;MM181818;C=C1NC(=N)C(O)C1N;IYYSEGQKJOEOSP-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181819;MM181819;C=C1NC(=N)C(N)C1O;OYFIYLMMQZQZFN-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181820;MM181820;N=c1cnc(N)c(F)n1O;DNZJOJPMJFTULA-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181821;MM181821;C=C1OC(=C)C(C)C1C;VDPXMTJCTULFKB-UHFFFAOYSA-N;124.18;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181822;MM181822;C=C1OC(=O)C(C)C1C;NXHPNYDVMUXFQV-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181823;MM181823;CC1C(=O)OC(=O)C1C;HXFIRQHMXJBTRV-UHFFFAOYSA-N;128.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181824;MM181824;C=C1OC(=C)C(N)C1C;NGKLYDVCUBSTOE-UHFFFAOYSA-N;125.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181825;MM181825;C=C1OC(=C)C(O)C1C;DXOOBOQGBBSTMU-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181826;MM181826;C=C1OC(=O)C(C)C1O;OQQYQRIBGMPMOR-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181827;MM181827;C=C1OC(=C)C(F)C1C;PUMBYRSTYCMQPN-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181828;MM181828;C=C1OC(=C)C(N)C1N;DYPURGXURJTFSP-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181829;MM181829;C=C1CC(=N)N(C)C1C;HNVMLIZMMATOFM-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181830;MM181830;C=C1CC(=O)N(C)C1C;LLUFSYZJFHVLMM-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181831;MM181831;CC1C(=O)CC(=N)N1C;PYGCNNGQOYSCAO-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181832;MM181832;CC1C(=O)CC(=O)N1C;PZQPWDZFFADFKJ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181833;MM181833;C=C1CC(=N)N(N)C1C;HBQNTJVNRVCBDU-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181834;MM181834;C=C1CC(=O)N(N)C1C;WQNSZWFJDGLAQX-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181835;MM181835;Cc1cnn(O)c(=N)c1F;NCTFODVNSFEDPV-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181836;MM181836;C=C1NC(=N)N(C)C1C;IKVKJNURVUVZQZ-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181837;MM181837;C=C1NC(=O)N(C)C1C;IFUAMYZVZAEUNF-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181838;MM181838;CC1C(=N)NC(=N)N1C;MFMOTDSCDKCQBW-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181839;MM181839;C#CC(O)CN1C(C)C1C;QUADUVCKBWCWRY-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181840;MM181840;N=c1oc(=NN)n(N)n1O;LZTAGYKBLPINFX-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181841;MM181841;CC1C(=O)NC(=O)N1C;MTZDUNZYSCZQFT-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181842;MM181842;C=C1NC(=N)N(N)C1C;RYJXOWIJNQLXFH-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181843;MM181843;CN=c1oc(=N)n(N)n1O;LWSJNKHSIYSJFU-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181844;MM181844;CC1C(=N)NC(=N)N1N;CTYFIJKNJFDIPC-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181845;MM181845;CN=c1on(O)c(=N)n1N;UXULWHXNVOYFBY-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181846;MM181846;N=c1n(O)oc(=NN)n1N;PGUCPEZSNPHMCL-UHFFFAOYSA-N;146.11;-2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181847;MM181847;CC1C(=O)NC(=O)N1N;GTJCRFCEWNSLMA-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181848;MM181848;C=C1NC(=N)N(O)C1C;XDPSXEIPFAZCDJ-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181849;MM181849;C=C1NC(=O)N(O)C1C;AEWARBQOWRLWMQ-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181850;MM181850;CC1C(=O)NC(=N)N1O;GBHBCRNVZNWIHK-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181851;MM181851;C=Cc1nc(O)n(N)c1N;ZVGQOJWMTFYUNR-UHFFFAOYSA-N;140.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181852;MM181852;CC1C(=O)OC(=O)N1C;WTFJJYYGWFKOQH-UHFFFAOYSA-N;129.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181853;MM181853;C=CC(C=C)CNNC=O;JIZYZDCEUIECIN-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181854;MM181854;CN=c1n(O)oc(=N)n1N;HMLWGIIUCMWBGH-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181855;MM181855;Nn1cnc(CO)n1;YSRGGGOKZOKYOC-UHFFFAOYSA-N;114.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181856;MM181856;CN1C(=N)CC(=N)N1C;AJUOILLKAAUQAU-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181857;MM181857;C#CC#Cc1nn[nH]n1;OKGMGRPENGTYBQ-UHFFFAOYSA-N;118.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181858;MM181858;Cn1c(=N)[nH]c(=N)n1C;BFRSMWZKJCVEIH-UHFFFAOYSA-N;127.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181859;MM181859;Cn1c(=N)[nH]c(=O)n1C;WVXGJEWLSZUACP-UHFFFAOYSA-N;128.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181860;MM181860;Cn1c(=N)[nH]c(=N)n1N;DTBZMWSUTQHSKQ-UHFFFAOYSA-N;128.14;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181861;MM181861;Cn1c(=N)[nH]c(=N)n1O;BVFNLOIRJVRMMH-UHFFFAOYSA-N;129.12;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181862;MM181862;N=c1[nH]c(=N)n(N)n1N;HQENAKKYGCXOEZ-UHFFFAOYSA-N;129.13;-3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181863;MM181863;N=c1[nH]c(=N)n(O)n1N;BEDBVRDPRYZDPJ-UHFFFAOYSA-N;130.11;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181864;MM181864;CC(O)CC(C#N)=NO;CLJMZVZPLRQHDN-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181865;MM181865;Cn1c(=O)oc(=O)n1C;IFFFASXIUZDDFZ-UHFFFAOYSA-N;130.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181866;MM181866;Cn1c(=O)oc(=N)n1N;HZQSNHFCKXQQEO-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181867;MM181867;Cn1c(=O)oc(=O)n1N;BDAWZDVRMGZUSV-UHFFFAOYSA-N;131.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181868;MM181868;CNn1nc(C)n(O)c1=O;MAGZLNJAKPTJGZ-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181869;MM181869;Nc1ccc(N)n1O;SBSRKDIKBULHHE-UHFFFAOYSA-N;113.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181870;MM181870;Cn1on(O)c(=O)c1=NN;LNIBAYGGLAKPDG-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181871;MM181871;N=c1oc(=O)n(N)n1N;ANWUFUYYKCTCJF-UHFFFAOYSA-N;131.1;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181872;MM181872;Nn1c(=O)oc(=O)n1N;JSMXXTNYTXZIQN-UHFFFAOYSA-N;132.08;-2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181873;MM181873;CCOC(C#N)C=NO;UXOAADRQGKUQDA-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181874;MM181874;C=NN(C)C(=O)C(C)O;QUXRUJATSJMUSB-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181875;MM181875;COc1cc(O)n(N)n1;VCWGGXKDTULZMF-UHFFFAOYSA-N;129.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181876;MM181876;C#CC(O)CNCC#N;KLXNMNMHYZYJQW-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181877;MM181877;OCc1nc(=NO)o[nH]1;QPHKBTQCCJVTOZ-UHFFFAOYSA-N;131.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181878;MM181878;Cn1ncn(O)c(=O)c1=N;RCJMMCVDZQPERB-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181879;MM181879;C=C1C(C)CC(C)C1C;ICLKNERSARZYBA-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181880;MM181880;C=C1C(N)CC(C)C1C;MOKJDHWNKLIPBL-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181881;MM181881;COc1coc(=N)n1O;CKSRTCYFGGGQMM-UHFFFAOYSA-N;130.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181882;MM181882;C=C1C(F)CC(C)C1C;OABZQYYIGMKWLI-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181883;MM181883;C=C1C(C)CC(N)C1C;LWUMVQYADNRKGZ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181884;MM181884;C=C1C(N)CC(N)C1C;QXAROPWSJVXMRZ-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181885;MM181885;N=c1onc(CN)n1O;WOVJOKNSBVCGEU-UHFFFAOYSA-N;130.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181886;MM181886;C=C1C(C)CC(F)C1C;XEFJMLOSUJLXGB-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181887;MM181887;C=C1C(N)CC(F)C1C;NOGUNYUOQPARNJ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181888;MM181888;CC1CC(C)C(C)C1=O;SYGMBWDGTDMGPU-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181889;MM181889;CC1CC(O)C(=O)C1C;TWFVFNHLKIKIMF-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181890;MM181890;CC1CC(O)C(C)C1=O;KELOXMWBCUTYBR-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181891;MM181891;CC1CC(F)C(C)C1=O;ZBBJNVLAVTXHIU-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181892;MM181892;C=C1C(C)CC(C)C1N;FJBCFGGNQFDYNB-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181893;MM181893;C=C1C(N)CC(C)C1N;NOZPUYYJKJKZJW-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181894;MM181894;C=C1C(O)CC(C)C1N;NLIFIERJGBEETE-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181895;MM181895;C=C1C(C)CC(N)C1N;RHFDRIVDCNOYJA-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181896;MM181896;C=C1C(N)CC(N)C1N;HWPOPUCGNNNISK-UHFFFAOYSA-N;127.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181897;MM181897;C=C1C(O)CC(N)C1N;WDPRDEDUNPZRDA-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181898;MM181898;C=C1C(C)CC(O)C1N;OSNKWSADTMEIJA-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181899;MM181899;C=C1C(N)CC(O)C1N;ZNCBECAKWLSJQV-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181900;MM181900;C=C1C(C)CC(F)C1N;PQUKTYHAYSTXQQ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181901;MM181901;C=C1C(N)CC(C)C1O;OIVBXWIGTHYJLZ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181902;MM181902;C=C1C(O)CC(C)C1O;NIQDIXOGQUHFHA-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181903;MM181903;C=C1C(F)CC(C)C1O;FNDRPJDSJCHSRA-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181904;MM181904;C=C1C(C)CC(O)C1O;CFJBZPKTWGXYNS-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181905;MM181905;C=C1C(N)CC(C)C1F;RBIJVOGBWHJQFL-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181906;MM181906;C=C1C(C)NC(C)C1C;GYAACTAJQNUOKJ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181907;MM181907;C=C1C(C)NC(C)C1N;UOAGEUWZVDQLEF-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181908;MM181908;C=C1C(C)NC(C)C1O;CYGCVBKEHQGVIT-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181909;MM181909;C=C1C(C)OC(C)C1C;AULJUEOCSXCQKE-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181910;MM181910;CC1OC(C)C(C)C1=O;JAZWMVLPGJDCAC-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181911;MM181911;CC1CN(C)C(=N)C1C;NXEXXUVRGUISKU-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181912;MM181912;CC1CN(N)C(=N)C1C;FUHJXIWLVJSJRG-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181913;MM181913;CC1CN(O)C(=N)C1C;CPRDFIGCWTWFML-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181914;MM181914;CC1C(=N)N(C)CC1N;GCBIPNKKELQVFQ-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181915;MM181915;CC1C(=N)N(O)CC1N;GHPWEMYPUUWLPL-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181916;MM181916;CC1C(=N)N(C)CC1O;WTIBKVRWIAXTFD-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181917;MM181917;CC1C(=N)N(N)CC1O;IOIIZZGQTSIFHG-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181918;MM181918;CC1C(=N)N(C)CC1F;IHOREABFWUJVID-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181919;MM181919;CC1C(=N)N(N)CC1F;MQOUHLCQYZJWLZ-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181920;MM181920;CC1CN(C)C(=O)C1C;PYNAPJPRIRHMGH-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181921;MM181921;CC1CN(N)C(=O)C1C;ULYRENKHSFHHRF-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181922;MM181922;CC1C(=O)N(C)CC1N;YHZWLGOMVZEUKA-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181923;MM181923;CC1C(=O)N(C)CC1O;CLAMTQZEHMERRS-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181924;MM181924;C#CC1=CCN(N)C1=O;IROMLDPVITYPAF-UHFFFAOYSA-N;122.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181925;MM181925;CC1C(=O)N(C)CC1F;OIVBZJYLXJSIAL-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181926;MM181926;C=CCC(C)(C)C(=O)NN;BBDPWYHCQDJKIA-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181927;MM181927;CC1CN(C)C(=N)C1N;GRWPUDMCIRVHNF-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181928;MM181928;CC1CN(O)C(=N)C1N;YLKJZJKNSRHJCW-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181929;MM181929;CN1CC(N)C(N)C1=N;HWVGPFCJXSXLQR-UHFFFAOYSA-N;128.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181930;MM181930;CN1CC(F)C(N)C1=N;BYHBAFPXXAYKJW-UHFFFAOYSA-N;131.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181931;MM181931;CC1CN(C)C(=O)C1N;YCPLZKGRCMOSIR-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181932;MM181932;CC1CN(C)C(=N)C1O;AOFSXGCSWWAYEA-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181933;MM181933;CC1CN(N)C(=N)C1O;IHCWXNVJKLINMC-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181934;MM181934;CC1NN(C)C(=N)C1C;MAZQFHVZHYRDNE-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181935;MM181935;CC1NN(C)C(=O)C1C;IYGIGFDLWVSHSK-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181936;MM181936;CC1NN(C)C(=N)C1N;STWZIDRDAFBRPC-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181937;MM181937;CC1ON(C)C(=N)C1C;WPVGHXHUEJPTIC-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181938;MM181938;CC1ON(C)C(=O)C1C;SJKCVDZGGCVSQP-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181939;MM181939;C=C1C(C)CN(C)C1C;QCIZKISBWKSFSB-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181940;MM181940;C=C1C(N)CN(C)C1C;YXWXMKVQHCZEHT-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181941;MM181941;C=C1C(O)CN(C)C1C;PWUPARZNGCBYQP-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181942;MM181942;CC1CC(C)N(C)C1=N;FZTUCRUENLEPQD-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181943;MM181943;CC1CC(N)C(=N)N1C;SXGDINMLHYSFGA-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181944;MM181944;CC1CC(O)C(=N)N1C;CWFIEPIGZOATQA-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181945;MM181945;CC1CC(C)N(C)C1=O;ZBLCKMSVDNMPLC-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181946;MM181946;CC1CC(C)N(N)C1=N;WDJQXXYWKLDQMJ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181947;MM181947;CC1CC(O)C(=N)N1N;KVEBFTOIAZLBKG-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181948;MM181948;CC1CC(C)N(N)C1=O;HRVSOHYNTBVJOP-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181949;MM181949;CC1CC(C)N(O)C1=N;OJKGKIPHCUVFJD-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181950;MM181950;CC1CN(C)C(=N)N1C;RCNTXQMSOIJWDY-UHFFFAOYSA-N;127.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181951;MM181951;CC1CN(N)C(=N)N1C;WBSFYQITCWRFKR-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181952;MM181952;CC1CN(O)C(=N)N1C;IRRPPYGHQUCMSZ-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181953;MM181953;CC1CN(C)C(=O)N1C;JJNFHWKVZWAKEB-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181954;MM181954;CC1CN(C)C(=N)N1N;WLTCKEFNRREHBV-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181955;MM181955;CC1CN(N)C(=N)N1N;JKFXQTHOYIGXTO-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181956;MM181956;CC1CN(O)C(=N)N1N;ILQNNQSIBWKSAD-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181957;MM181957;CC1CN(C)C(=N)N1O;XJAFMYJXBGDYFH-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181958;MM181958;CC1CN(N)C(=N)N1O;QMSBCDIGOUNWHY-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181959;MM181959;CC1CN(C)N(C)C1=N;DQZXYEYRPLLMKL-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181960;MM181960;CN1CC(N)C(=N)N1C;DETYENPBDFKTPF-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181961;MM181961;CN1CC(O)C(=N)N1C;KCHGFCJNBRZAIN-UHFFFAOYSA-N;129.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181962;MM181962;CC1CN(C)N(C)C1=O;VMLBHKPSFBOYTO-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181963;MM181963;C=C1CC(C)C(C)C1=C;SVCAKBVHDZZQSX-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181964;MM181964;C=C1C(=O)CC(C)C1C;YABWFAFBDQNIBL-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181965;MM181965;C=C1CC(N)C(C)C1=C;JSWBHTAQGCLWIG-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181966;MM181966;CON=CC(C)(O)CC#N;GRRPAJYZJCFTLG-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181967;MM181967;C=C1C(=O)CC(O)C1C;KBWKXTDMRFCAFC-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181968;MM181968;C=C1CC(F)C(C)C1=C;YHACFMPFKBUZHU-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181969;MM181969;C=C1C(=O)CC(F)C1C;OCYQMWSANBZZAE-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181970;MM181970;C=C1CC(C)C(C)C1=O;UEMZXDOKFDYSBX-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181971;MM181971;CC1CC(=O)C(=O)C1C;WGAVDEVFJDQIMZ-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181972;MM181972;C=C1CC(O)C(C)C1=O;KZATYIKIQLXPSL-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181973;MM181973;CC1C(=O)C(=O)CC1O;MHLCJASNULGROJ-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181974;MM181974;C=C1CC(F)C(C)C1=O;SAWCMVOOGLFDST-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181975;MM181975;CC1C(=O)C(=O)CC1F;YHDUITPWGRMMOP-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181976;MM181976;C=C1CC(C)C(N)C1=C;FVBJZFAOAUJVKV-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181977;MM181977;C=C1CC(N)C(N)C1=C;PBYQFTGLEDYFIZ-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181978;MM181978;C=C1CC(O)C(N)C1=C;GEDFQFBMLOOGKP-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181979;MM181979;C=C1CC(F)C(N)C1=C;ZBAAAEKTHAAACU-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181980;MM181980;C=C1C(=O)CC(C)C1O;BSSXZODOMXPZAF-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181981;MM181981;C=C1CC(O)C(O)C1=C;PAHJJHRJPXGFIT-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181982;MM181982;C=C1C(=O)CC(O)C1O;XLSMPEYINNNGDF-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181983;MM181983;C=C1CC(C)C(O)C1=O;NCDVMVHFAHBQJS-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181984;MM181984;CC1CC(=O)C(=O)C1O;AODHYZHPIVHXLA-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181985;MM181985;C=C1CC(O)C(O)C1=O;NLWOCDWPOAMZPS-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181986;MM181986;C=C1C(=O)CC(C)C1F;FZUMMFYYFNFMOQ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181987;MM181987;C=C1C(=N)NC(C)C1C;NCNDQEDNDIINMK-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181988;MM181988;C=C1C(=O)NC(C)C1C;UEEKFZTWJZECNB-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181989;MM181989;N#CCN1CC(O)(CO)C1;VDQRUCQHSVHYMU-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181990;MM181990;CC1NC(=O)C(=O)C1C;MTUUGUXJEPJWGL-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181991;MM181991;C=C1C(=N)NC(C)C1N;XRTYGBGOUIWEQT-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181992;MM181992;C=C1C(=O)NC(C)C1N;WZYJMIYDYURYIR-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181993;MM181993;C=C1C(=N)NC(C)C1O;CTJCMRWYWUFUGX-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181994;MM181994;C=C1C(=O)NC(C)C1O;CCUZIPWMGOMETN-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181995;MM181995;CC1NC(=O)C(=O)C1O;AKAZPSKXNCSHBM-UHFFFAOYSA-N;129.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181996;MM181996;C=C1OC(C)C(C)C1=C;SPQPWAJDJRWKGQ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181997;MM181997;C=C1C(=O)OC(C)C1C;GWSGIIGWNQXFIJ-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181998;MM181998;C=C1OC(C)C(C)C1=O;ZYIQFDZYNUMEQM-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM181999;MM181999;CC1OC(=O)C(=O)C1C;JYTLIKVWYWOQTK-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182000;MM182000;C=C1OC(C)C(N)C1=C;XUVCOLCWDTXMGJ-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182001;MM182001;C=C1OC(C)C(O)C1=C;KUJJOEWLKLBWDG-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182002;MM182002;C=C1C(=O)OC(C)C1O;BKVUTCCUMZQAOB-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182003;MM182003;C=C1OC(C)C(O)C1=O;NDEVBKVRICTZEA-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182004;MM182004;C=C1CN(C)C(C)C1=C;JWGDTSQOSXOBQL-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182005;MM182005;C=C1C(=O)CN(C)C1C;LKEMGBDVVBSQLZ-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182006;MM182006;C=C1CN(C)C(C)C1=O;AUOMTSZVGXGINC-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182007;MM182007;Cc1c(O)c(O)cn1C;MHHWUGIXTBSINW-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182008;MM182008;C=C1C(=N)NN(C)C1C;QKMYBRPGFJSIKM-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182009;MM182009;C=C1C(=O)NN(C)C1C;ADJSWRQILRWWRE-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182010;MM182010;N=c1ncn(O)c(O)c1F;SCUBHTHAKHJQLC-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182011;MM182011;CN=c1oc(=O)n(O)n1O;SLTFRONELCEDQR-UHFFFAOYSA-N;147.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182012;MM182012;C=C1CC(C)N(C)C1=N;KPULOWOGXFLMRD-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182013;MM182013;CC1CC(=O)C(=N)N1C;LXPWXIHPSAENPB-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182014;MM182014;C=C1CC(C)N(C)C1=O;FSDCGPGWSDNXLA-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182015;MM182015;CC1CC(=O)C(=O)N1C;YBVDHNHNVFVSLP-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182016;MM182016;C=C1CC(C)N(N)C1=N;FYHQTRGYSDGMSW-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182017;MM182017;C=C1CC(C)N(N)C1=O;BTPHKXKTNLFWLO-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182018;MM182018;C=C1CC(C)N(O)C1=N;WNTKDQKYFWFSDT-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182019;MM182019;NN=CC#CC(O)CCO;BQQHTWPCYTXNFS-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182020;MM182020;C=C1CC(C)N(O)C1=O;QAASZXPKSMVMNF-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182021;MM182021;C=C1CN(C)N(C)C1=N;JLOGQTABBGLYTO-UHFFFAOYSA-N;125.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182022;MM182022;Cn1cc(O)c(=N)n1C;JDJDZBVVWJRRMZ-UHFFFAOYSA-N;127.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182023;MM182023;C=C1CN(C)N(C)C1=O;YOEGRGYMDNOZAG-UHFFFAOYSA-N;126.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182024;MM182024;Cn1cc(O)c(=O)n1C;FUKMJSGWZPIZFH-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182025;MM182025;Cn1nc(N)c(=N)n1C;GFVQCPDRFZQDRH-UHFFFAOYSA-N;127.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182026;MM182026;Cn1nc(N)c(=O)n1C;JJPGDJIQAIGFOP-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182027;MM182027;N=c1c(=O)n(O)ncn1N;MLDCTEAQPFTOCT-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182028;MM182028;Cn1nc(N)c(=O)n1N;XRTDYEONJMYQQI-UHFFFAOYSA-N;129.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182029;MM182029;NN=c1c(=O)n(O)on1N;LQWPNFFPHZZCDN-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182030;MM182030;N=c1[nH]oc(=NN)c(=O)o1;DUMZOTGMSUWPPR-UHFFFAOYSA-N;144.09;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182031;MM182031;NN=CNOC(CF)=NO;RSSPXBJZCJOFEQ-UHFFFAOYSA-N;150.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182032;MM182032;Cn1oc(=O)c(=N)n1C;TVIVTAQCWXUUEF-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182033;MM182033;Cn1oc(=O)c(=O)n1C;YWJSEMKHCATFGM-UHFFFAOYSA-N;130.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182034;MM182034;Cn1oc(=O)c(=N)n1N;KIYBEMYFUHEUQP-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182035;MM182035;Cn1oc(=O)c(=O)n1N;MFJMUGCIDHYZJN-UHFFFAOYSA-N;131.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182036;MM182036;CC(O)C(=O)N(N)C=NN;JVKAHNUXJBPJKS-UHFFFAOYSA-N;146.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182037;MM182037;CN=c1c(F)c(N)[nH]n1O;QHQGQYAUKWVDRV-UHFFFAOYSA-N;146.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182038;MM182038;C=C1CC(C)C(=C)C1C;YHMCXUCIEXILOO-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182039;MM182039;C=C1CC(N)C(=C)C1C;LYOABEJBMZNROD-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182040;MM182040;C=CC(O)(C=NOC)CC;ZMMMHBIVQKAVHG-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182041;MM182041;C=C1CC(F)C(=C)C1C;GZZKNYKDBCWZQM-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182042;MM182042;C=C1C(C)CC(=O)C1C;RMDQKBMTNUXBPR-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182043;MM182043;C=C1C(O)CC(=O)C1C;PQVWZJVTHLEZQC-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182044;MM182044;C=C1CC(C)C(=O)C1C;GLNAXVKVRWBBML-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182045;MM182045;C=C1CC(O)C(=O)C1C;DENXKOYRUCCBGN-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182046;MM182046;CC1CC(=O)C(C)C1=O;FCELWXAACZZLJY-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182047;MM182047;CC1C(=O)CC(O)C1=O;ZUCRRTGOGZNGBA-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182048;MM182048;C=C1CC(C)C(=C)C1N;RPPCRWFVXGKVRI-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182049;MM182049;C=C1CC(N)C(=C)C1N;LWPDDUXOLFPIOP-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182050;MM182050;C=C1CC(O)C(=C)C1N;IZFPQYOQDISFEQ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182051;MM182051;C=C1CC(F)C(=C)C1N;OPNZEWXRMQFOQR-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182052;MM182052;C=CC(=C)CCC(=O)NN;XJBIPNWRPFUEIS-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182053;MM182053;C=C1CC(N)C(=C)C1O;OCZMXQGSPRRGCQ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182054;MM182054;C=C1CC(O)C(=C)C1O;USJDVGILYCBKLV-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182055;MM182055;C=C1CC(F)C(=C)C1O;YCJICSARHUIIOR-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182056;MM182056;C=C1C(C)CC(=O)C1O;VGVOULHNJHTQMU-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182057;MM182057;C=C1C(O)CC(=O)C1O;NWEBMSIODFIVCW-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182058;MM182058;C=C1CC(O)C(=O)C1O;QPGRFMZWAJTIAF-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182059;MM182059;C=C1C(C)NC(=N)C1C;XGTMYFNSBBTIIL-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182060;MM182060;C=C1C(C)NC(=O)C1C;OBUPILYNJDHJEU-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182061;MM182061;CC1NC(=O)C(C)C1=O;FEGNAVFMSGXNAM-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182062;MM182062;C=C1C(C)NC(=N)C1N;SJTFMLWZGLICKR-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182063;MM182063;C=C1C(C)NC(=N)C1O;BYMKMGFYKNFPDP-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182064;MM182064;C=C1C(C)NC(=O)C1O;CLDIFOAEBFAYFW-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182065;MM182065;C=C1OC(C)C(=C)C1C;WHHVFONKRIKZEJ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182066;MM182066;C=C1C(C)OC(=O)C1C;CXZSVVIICBZJBM-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182067;MM182067;C=C1OC(C)C(=O)C1C;GHVWIVIJZYAQLJ-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182068;MM182068;C=C1OC(C)C(=C)C1N;HHFMNUOBDJUAGW-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182069;MM182069;C=C1OC(C)C(=C)C1O;NWHIAUDIEPIKNP-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182070;MM182070;C=C1C(C)OC(=O)C1O;DVRCDFVDQSWUQU-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182071;MM182071;C=C1CN(C)C(=N)C1C;JBIKRCMLBXZMAK-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182072;MM182072;C=C1CN(N)C(=N)C1C;YEABEJPMZUDTDV-UHFFFAOYSA-N;125.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182073;MM182073;CC1C(=N)N(C)CC1=O;DGGQRWCJLWYIFW-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182074;MM182074;C=C1CN(C)C(=O)C1C;DVZGIZRMZAGBEQ-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182075;MM182075;C=C1CN(N)C(=O)C1C;YNJZZMIZQXWXOK-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182076;MM182076;CC1C(=O)CN(C)C1=O;MJXFKGPADOHYHG-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182077;MM182077;C=C1CN(C)C(=N)C1N;LHGXFVDXHZYGIH-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182078;MM182078;C=C1CN(C)C(=N)C1O;JEIDAZVCNCLRHL-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182079;MM182079;C=C1CN(C)C(=O)C1O;SEBLWPRXZFAWFB-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182080;MM182080;C=CC(C=C)=CC(=O)NN;FFWVPFLPVHCEOA-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182081;MM182081;CC1C(=N)NN(C)C1=N;FVISRPQMIHLTDF-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182082;MM182082;C=CC(O)C(=N)N(N)C=O;QJRLOGSVJAWQHZ-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182083;MM182083;CC1C(=O)ON(C)C1=O;YSYQYJSAHALVSD-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182084;MM182084;C=NNCC(O)C(F)CF;BRNJGLHGKHLBQI-UHFFFAOYSA-N;152.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182085;MM182085;C=C1C(C)CC(=N)N1C;ZFCCRFYWROMAFO-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182086;MM182086;C=C1C(N)CC(=N)N1C;HTDLCXKZRICYSP-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182087;MM182087;C=C1C(O)CC(=N)N1C;DKPCLARMOJLVCA-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182088;MM182088;C=C1C(C)CC(=O)N1C;RWOWPGQAXRABMR-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182089;MM182089;C=C1C(N)CC(=O)N1C;BUOPPPRMLJBDJD-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182090;MM182090;C=C1C(O)CC(=O)N1C;LXSNTXVDJIAWLK-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182091;MM182091;C=C1CC(C)C(=N)N1C;HUUBKIJILZRHRT-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182092;MM182092;C=C1CC(N)C(=N)N1C;PDEWYBVPEJVRCV-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182093;MM182093;C=C1CC(O)C(=N)N1C;WFPHCRXXEWUQJO-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182094;MM182094;CC1CC(=N)N(C)C1=N;RCDDJPSHRUXHPI-UHFFFAOYSA-N;125.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182095;MM182095;CN1C(=N)CC(N)C1=N;DYBZDYWCSBMNND-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182096;MM182096;CN1C(=N)CC(O)C1=N;UVIJGCQDPTUTJN-UHFFFAOYSA-N;127.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182097;MM182097;CC1CC(=O)N(C)C1=N;IDHGUDHTBWBZOB-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182098;MM182098;CN1C(=N)C(O)CC1=O;KVZJIMJACKHGEB-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182099;MM182099;C=C1CC(C)C(=O)N1C;ZSVHFTCWBGQHOR-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182100;MM182100;C=C1CC(O)C(=O)N1C;CEMLLJTUHZXDJM-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182101;MM182101;CC1CC(=N)N(C)C1=O;VMSDUFHPPIRSOC-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182102;MM182102;C=CC(=C)CCNNC=O;VZUWPLBKHPUCBH-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182103;MM182103;CC1CC(=O)N(C)C1=O;NIXKACOKLPRDMY-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182104;MM182104;CN1C(=O)CC(O)C1=O;NLKACWKSCREJEL-UHFFFAOYSA-N;129.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182105;MM182105;C=C1C(C)CC(=N)N1N;FHULTFLGMOOEET-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182106;MM182106;C=C1C(O)CC(=N)N1N;JQLCYXWPJUANOQ-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182107;MM182107;C=C1C(C)CC(=O)N1N;PORKZPPYZQBQFV-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182108;MM182108;C=CC=CCCC(=O)NN;RDERZPJYPLLFKQ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182109;MM182109;C=C1CC(C)C(=N)N1N;AEAPADFOGQIMCG-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182110;MM182110;C=C1CC(O)C(=N)N1N;KPCASIZAXFOACY-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182111;MM182111;C=C1CC(F)C(=N)N1N;IVWLZPFWFMCTEW-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182112;MM182112;CC1CC(=N)N(N)C1=N;XUQVMRWJFSGFIA-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182113;MM182113;CC1CC(=O)N(N)C1=N;YEVYKDBDHYLQCY-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182114;MM182114;C=CC(O)C(=NC)NN=C;UFCSEIUDIPRYCB-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182115;MM182115;C=C1CC(C)C(=O)N1N;KRIIDPDBAVNLMQ-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182116;MM182116;NN=c1cc(F)n(O)n1N;OUOMAYJIDPCIIS-UHFFFAOYSA-N;147.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182117;MM182117;CC1CC(=N)N(N)C1=O;ZJAKUWNAEBTYOF-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182118;MM182118;CN=c1occ(OC)n1O;HPNJBPKGFAZLJP-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182119;MM182119;C=CCNN=CNNC=O;KKYQVKGVPASKSF-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182120;MM182120;C=C1C(C)CC(=N)N1O;UABIUZCJEFAUKO-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182121;MM182121;C=C1C(N)CC(=N)N1O;BSSVEWWGGSNFBZ-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182122;MM182122;C=C1C(C)CC(=O)N1O;AFVDPWDDTGHOEB-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182123;MM182123;C=C1CC(C)C(=N)N1O;IHXONKNYZDMSIL-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182124;MM182124;CC1N(C)N=CC1(C)O;WVNIHGANYFMRHW-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182125;MM182125;C=CN(N)C(=O)C(C)O;RWOGPXQPIJUFKT-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182126;MM182126;C=C1CC(C)C(=O)N1O;VCGQLDPSCBQEKN-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182127;MM182127;C=C1C(C)NC(=N)N1C;SMNGJNOQYRTPON-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182128;MM182128;C=C1C(C)NC(=O)N1C;LHNFCBFGIOFKEO-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182129;MM182129;CC1NC(=N)N(C)C1=N;WGASLUKSHGTUEG-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182130;MM182130;CC(O)C(=O)N(N)C=N;OOYMEHZFSYNRLZ-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182131;MM182131;C=CC(O)C(=N)NN=C;GCGFBEZJBQYRSV-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182132;MM182132;CC1NC(=O)N(C)C1=O;WCJZFXWWQURWGE-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182133;MM182133;C=C1C(C)NC(=N)N1N;HABRNNMQRRDVNJ-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182134;MM182134;Cn1c(=N)on(O)c1=N;KKWPHISTPLDMQN-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182135;MM182135;CC1NC(=N)N(N)C1=N;RLBUQHWVJAXXBA-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182136;MM182136;N=C1CC(=O)C(=N)N1O;NDSJQKUQPNIYFE-UHFFFAOYSA-N;127.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182137;MM182137;CCNc1ccc(F)[nH]1;YVMSKPJHAQAMCN-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182138;MM182138;CC1NC(=O)N(N)C1=O;YCSXDFDOLJYFCI-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182139;MM182139;C=C1C(C)NC(=N)N1O;MFINJRCJULDLNK-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182140;MM182140;C=C1C(C)NC(=O)N1O;NXGMRYBIAITULT-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182141;MM182141;CC1NC(=N)N(O)C1=N;BSMJCHYREGFRRB-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182142;MM182142;CC1NC(=O)N(O)C1=N;XXIKZYJNLZCNKI-UHFFFAOYSA-N;129.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182143;MM182143;C=C1C(C)OC(=O)N1C;ONXAVHJJSFWMIT-UHFFFAOYSA-N;127.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182144;MM182144;C=C1OC(C)C(=N)N1C;PXZOERIRPWYDCC-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182145;MM182145;CC1OC(=O)N(C)C1=N;NVGYKPPCPKNJDN-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182146;MM182146;C=C1OC(C)C(=O)N1C;PWWINIKHFQFPPD-UHFFFAOYSA-N;127.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182147;MM182147;CC1OC(=N)N(C)C1=O;FPYFEWHDFIJWOY-UHFFFAOYSA-N;128.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182148;MM182148;CC1OC(=O)N(C)C1=O;PBZJGICLVHLSSJ-UHFFFAOYSA-N;129.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182149;MM182149;C=C1C(C)OC(=O)N1N;GVDCDIXWDSEIQX-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182150;MM182150;N=Cn1cnc(CO)n1;VJUILIDSDRNRCA-UHFFFAOYSA-N;126.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182151;MM182151;CC1OC(=O)N(N)C1=N;ZKAOJVFGJCEXFK-UHFFFAOYSA-N;129.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182152;MM182152;C=C1OC(C)C(=O)N1N;LDCQJNNRLMERBI-UHFFFAOYSA-N;128.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182153;MM182153;CC1OC(=N)N(N)C1=O;KEWWPMXLUIQCCS-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182154;MM182154;N=C(N)C(F)(CF)C(N)=O;KGEGZYKYHFTAKL-UHFFFAOYSA-N;151.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182155;MM182155;C=C1CN(C)C(=N)N1C;XXMXZWSLJFYKDX-UHFFFAOYSA-N;125.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182156;MM182156;C=C1CN(N)C(=N)N1C;KNUWWRCSUNKJGN-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182157;MM182157;C=C1CN(O)C(=N)N1C;UCLXWMMHZRLACN-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182158;MM182158;CN1C(=N)CN(N)C1=N;AFSZRYVEEWVLTA-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182159;MM182159;C=NOC(=O)NCC(C)O;PHAPQVTUGWDVMY-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182160;MM182160;CN1C(=N)N(O)CC1=O;TURZEQZZQQLMSC-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182161;MM182161;C=C1CN(C)C(=O)N1C;SKUHHHSZXIXMCG-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182162;MM182162;C=C1CN(N)C(=O)N1C;VNCUIACWVWXLEQ-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182163;MM182163;CC(C)=NOCC(F)C=O;UELYFZCKBSRSGU-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182164;MM182164;CN1CC(=O)N(C)C1=O;RFTORHYUCZJHDO-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182165;MM182165;C=C1CN(N)C(=N)N1N;AGXYRJCMBGOOLC-UHFFFAOYSA-N;127.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182166;MM182166;CN1CC(=N)N(N)C1=N;VIZZULZQOWOQLP-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182167;MM182167;N=C1CN(N)C(=N)N1N;DUEVAKYNUDMSFY-UHFFFAOYSA-N;128.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182168;MM182168;CN1CC1CC(C)(O)C=O;WTXPYFWQDISOOQ-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182169;MM182169;CCCC=CC(=O)NNC;HMFSNVNYSNSGSD-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182170;MM182170;N=C1N(O)CC(=O)N1N;NJLFSMJCLIKIGM-UHFFFAOYSA-N;130.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182171;MM182171;CCCC1=NN(C)C(=O)C1;RULINAPACRUGOF-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182172;MM182172;C=C1CN(C)C(=N)N1O;BAKLYZRQNJPTDF-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182173;MM182173;C=C1CN(N)C(=N)N1O;FVOLZBHIQSMHOW-UHFFFAOYSA-N;128.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182174;MM182174;CN1CC(=N)N(O)C1=N;SBWOHUDCTNPFDO-UHFFFAOYSA-N;128.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182175;MM182175;Cn1[nH]c(=O)n(C)c1=N;RMCVDXQNZSUZSI-UHFFFAOYSA-N;128.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182176;MM182176;N=c1nc(OCC=O)o[nH]1;HLGOQEICDALIJF-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182177;MM182177;Cn1[nH]c(=O)n(C)c1=O;NWNNZPUYFSACQS-UHFFFAOYSA-N;129.12;-1.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182178;MM182178;C=CCOc1nc(=N)[nH]o1;MRZCOYVZVZHFME-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182179;MM182179;Cn1[nH]c(=O)n(N)c1=N;BAWUAOKYEFAMJD-UHFFFAOYSA-N;129.12;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182180;MM182180;N=c1n(N)[nH]c(=O)n1N;JYSOVOFVIWFTAN-UHFFFAOYSA-N;130.11;-3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182181;MM182181;CC(C)Oc1nc(=N)[nH]o1;WUVOAPBYAMESDC-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182182;MM182182;N=c1nc(OCCF)o[nH]1;RBDZKFBJCCTMOZ-UHFFFAOYSA-N;147.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182183;MM182183;N=c1nc(OC2CC2)o[nH]1;QSUQZFKPWOVMIU-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182184;MM182184;N=c1nc(OCCO)o[nH]1;ZICIYWHSOGJSGS-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182185;MM182185;Cn1c(O)coc1=O;LMSNMKAFRPPPFZ-UHFFFAOYSA-N;115.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182186;MM182186;O=c1ncc(=O)n(O)o1;RTKFAYPYBXEXEO-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182187;MM182187;O=c1cc(CF)nnn1O;DZMQMGBUTKMHPB-UHFFFAOYSA-N;145.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182188;MM182188;O=Cc1cc(=O)cc(O)o1;FSYIDLORCZRPPD-UHFFFAOYSA-N;140.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182189;MM182189;Cc1on(O)c(=O)c1F;AICUDWRCDCIUHS-UHFFFAOYSA-N;133.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182190;MM182190;C#Cc1onnc(=O)c1O;IUQYJSTUDIILRS-UHFFFAOYSA-N;138.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182191;MM182191;CN=c1ncoc(=O)[nH]1;YXTVTJWQGXPLCC-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182192;MM182192;Oc1oc(F)cc1F;WIMRVWYVBGFWRD-UHFFFAOYSA-N;120.05;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182193;MM182193;C=CC(O)C(=N)N(C)N=C;RZSWRQWIKFWULL-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182194;MM182194;Cn1oc(=O)n(C)c1=N;CLIBGKFKDAJOAO-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182195;MM182195;Cn1c(=O)on(N)c1=N;QQHYXHACCWAPGF-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182196;MM182196;Cn1c(=O)on(O)c1=N;CBSKNGPLZXLZPT-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182197;MM182197;Cn1oc(=N)n(C)c1=O;MPENDRWFALGPPD-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182198;MM182198;Cn1c(=N)on(N)c1=O;XGPREVQXRCYQJA-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182199;MM182199;Nc1n[nH]c(=O)c(O)c1F;XSYZNENWDBZGMD-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182200;MM182200;Cn1oc(=O)n(C)c1=O;GKETUNUUZKHPLZ-UHFFFAOYSA-N;130.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182201;MM182201;Cn1c(=O)on(N)c1=O;RIPRTICFVADWLN-UHFFFAOYSA-N;131.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182202;MM182202;Nc1c(O)cnn1C=O;AZMPKXZPUDOGDX-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182203;MM182203;C=NN=CC(=N)NNC=O;ZNDKCMLBUWULRF-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182204;MM182204;Cn1oc(=O)n(N)c1=N;ZNMRMNHMWOMPFY-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182205;MM182205;N=c1n(N)oc(=O)n1N;DTOWDSSPLXLCLF-UHFFFAOYSA-N;131.1;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182206;MM182206;CC(OC=NN)C(O)CO;LPDHBTFLJBTMNB-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182207;MM182207;Cn1oc(=N)n(N)c1=O;VYMKYCGXXCWONQ-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182208;MM182208;N=c1on(N)c(=O)n1N;WMIYWJVSAYZTLT-UHFFFAOYSA-N;131.1;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182209;MM182209;CNc1nc(O)n(O)n1;FBRUXIFSTSVUPL-UHFFFAOYSA-N;130.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182210;MM182210;Cn1oc(=O)n(N)c1=O;GDYAYCZTDUKLBI-UHFFFAOYSA-N;131.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182211;MM182211;Nn1oc(=O)n(N)c1=O;BHNIITFVVNVZQK-UHFFFAOYSA-N;132.08;-2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182212;MM182212;N#CC1NC1C(CO)=NO;XINUSBXIDUWFEE-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182213;MM182213;N=c1ccc(F)c(F)n1O;AODAPZGWNCUTSL-UHFFFAOYSA-N;146.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182214;MM182214;CN=c1on(O)c(=N)n1C;JDHVWSYCQSNINX-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182215;MM182215;Cn1c(=NN)on(O)c1=N;ZULKURBDUVTYKM-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182216;MM182216;C=CC#CCC(CF)=NO;YISDIRKCMCSDCA-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182217;MM182217;CONC(=O)C=NN;JDXGZGROQFOSSN-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182218;MM182218;N#Cc1n[nH]c(N)c1O;KDPFMWISSXYRBP-UHFFFAOYSA-N;124.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182219;MM182219;N=c1ncn(N)c(=O)n1O;NRGRHVFYTYMMHC-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182220;MM182220;NC1=CC(=CO)NC1=O;HITZCWJQJZKPLT-UHFFFAOYSA-N;126.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182221;MM182221;N=c1nc(O)[nH]n(N)c1=O;ARCNYMBDBVVFBP-UHFFFAOYSA-N;143.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182222;MM182222;N=c1c(F)c(O)ncn1N;OKKJYAMBSYNABC-UHFFFAOYSA-N;144.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182223;MM182223;N=C(NO)C(F)C=NO;SHTQSSXQBIUPIB-UHFFFAOYSA-N;135.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182224;MM182224;N=c1[nH]oc(=O)c(=NN)o1;FDHLOYKZZAPORF-UHFFFAOYSA-N;144.09;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182225;MM182225;C=C1CC(=C)C(C)C1=C;QTDMCSDRJRLDAU-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182226;MM182226;C=C1CC(=O)C(=C)C1C;QNKKQAKJFFIOAY-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182227;MM182227;C=C1CC(=O)C(C)C1=C;CDDMHHIRABAVGC-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182228;MM182228;C=C1C(=O)CC(=O)C1C;TXEZJCCKNARKKZ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182229;MM182229;C=C1CC(=C)C(C)C1=O;PPGTVUZVKOQFFW-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182230;MM182230;C=C1CC(=O)C(=O)C1C;WYASKPPIFHRZLZ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182231;MM182231;C=C1CC(=O)C(C)C1=O;MPMAJHPFHFWZFG-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182232;MM182232;Cn1c(O)nncc1=N;OEOXKLWZZUVZHN-UHFFFAOYSA-N;126.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182233;MM182233;C=C1CC(=C)C(N)C1=C;RMFBXOOMWIDZGP-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182234;MM182234;C=C1CC(=O)C(=C)C1O;VMLFEAWBJMUJAP-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182235;MM182235;C=C1C(=O)CC(=O)C1O;VLVWGDKDNJLBLW-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182236;MM182236;C=C1CC(=C)C(O)C1=O;FMNXGSCYUQBGIR-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182237;MM182237;C=C1CC(=O)C(=O)C1O;JGCMQPZLNJEEHA-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182238;MM182238;C=C1CC(=O)C(=C)C1F;QMAAOXBEBFCXGF-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182239;MM182239;C=C1NC(=N)C(=C)C1C;JHHQKTKIOWGWKM-UHFFFAOYSA-N;122.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182240;MM182240;C=C1NC(=O)C(=C)C1C;WEZSJXCHNRFJCY-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182241;MM182241;C=C1NC(=N)C(C)C1=C;CVMNVZDIUHYFGA-UHFFFAOYSA-N;122.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182242;MM182242;C=C1C(=N)NC(=N)C1C;FQSNRUZEJNWBBH-UHFFFAOYSA-N;123.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182243;MM182243;Cc1cnn(O)c(=NN)c1;VZFDOYCWPYBWKZ-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182244;MM182244;C=C1NC(=O)C(C)C1=C;AYUHTGNZRVSMOD-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182245;MM182245;C=CC1C=CC(C=NN)=C1;VUGUZXSTYSGUOJ-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182246;MM182246;C=C1C(=O)NC(=O)C1C;MUSZAKHQRQJUOX-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182247;MM182247;CC#Cc1ccc(N=N)[nH]1;CVFLINBNSZDBGE-UHFFFAOYSA-N;133.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182248;MM182248;C=C1NC(=O)C(=O)C1C;IRNNSJWZVMFCBH-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182249;MM182249;CN=c1n(O)oc(=N)n1C;POCFIBQAQQCXQF-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182250;MM182250;C=C1NC(=O)C(C)C1=O;XRHMWUNBHUUTOS-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182251;MM182251;N#CCOc1nc(=N)[nH]o1;UDTRYHAFOFPQEE-UHFFFAOYSA-N;140.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182252;MM182252;C=C1NC(=N)C(=C)C1N;BVJHBIZKFZJBMA-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182253;MM182253;C=C1NC(=N)C(N)C1=C;NPQCAAOQDPKGMF-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182254;MM182254;C=C1C(=N)NC(=N)C1N;KFFNVEWEPKCARE-UHFFFAOYSA-N;124.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182255;MM182255;CCc1ccc(NC)n1O;HKGBURSLRGJYGH-UHFFFAOYSA-N;140.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182256;MM182256;C=C1NC(=N)C(=C)C1O;SKDAHECJPBBFTK-UHFFFAOYSA-N;124.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182257;MM182257;C=C1NC(=O)C(=C)C1O;FRQBBKDGCKKDAN-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182258;MM182258;C=C1NC(=N)C(O)C1=C;IEMRAMVSZWYQSQ-UHFFFAOYSA-N;124.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182259;MM182259;C=C1C(=N)NC(=N)C1O;UNDRFECOCONCDQ-UHFFFAOYSA-N;125.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182260;MM182260;C=C1C(=O)NC(=N)C1O;PSEIXHZTNBUIFG-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182261;MM182261;C=NN1C(C)C1C(O)CF;GCLAQFITHFSONL-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182262;MM182262;C=C1OC(=C)C(C)C1=C;VJDZVUAYMVQMAT-UHFFFAOYSA-N;122.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182263;MM182263;C=C1OC(=O)C(=C)C1C;BXZKWAOUCYFEMZ-UHFFFAOYSA-N;124.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182264;MM182264;C=C1OC(=O)C(C)C1=C;LOSYTXALXIFDPS-UHFFFAOYSA-N;124.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182265;MM182265;C=C1C(=O)OC(=O)C1C;CMTRLIROAHANBX-UHFFFAOYSA-N;126.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182266;MM182266;C#CCOc1nc(=N)[nH]o1;GPTKJIYOFBPVSY-UHFFFAOYSA-N;139.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182267;MM182267;C=C1OC(=O)C(=O)C1C;QPXRBTNNPQMACR-UHFFFAOYSA-N;126.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182268;MM182268;C=C1OC(=O)C(C)C1=O;OMMNTDAUMKXAQC-UHFFFAOYSA-N;126.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182269;MM182269;C=C1OC(=C)C(N)C1=C;INCVHJNOFTYOES-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182270;MM182270;CC1NN=CC1(C)O;XMJDIPNSSCZNRI-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182271;MM182271;C=C1OC(=C)C(O)C1=C;HZPMXCYEIRCDCP-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182272;MM182272;C=C1OC(=O)C(=C)C1O;ZKRVETHMALTWFM-UHFFFAOYSA-N;126.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182273;MM182273;C=C1CC(=N)N(C)C1=C;HIHLPNSIKCPSIP-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182274;MM182274;C=C1CC(=O)N(C)C1=C;POLRDFWRHPZEPL-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182275;MM182275;C=C1C(=O)CC(=O)N1C;PKCVHNYXYGLMSA-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182276;MM182276;C=C1CC(=C)N(C)C1=N;FGESIBABEQLOAG-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182277;MM182277;Cc1noc(=N)n1O;QPMVTYJQWPDPIV-UHFFFAOYSA-N;115.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182278;MM182278;C=C1CC(=N)N(C)C1=N;BXAZFRDATNCNIR-UHFFFAOYSA-N;123.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182279;MM182279;C=C(C)CCNNC=O;WPDKQKJGMVSYSX-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182280;MM182280;C=C1CC(=O)N(C)C1=N;ULWCXHDFXOGVJK-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182281;MM182281;C=C1CC(=C)N(C)C1=O;ODZQERVTZBYTGE-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182282;MM182282;C=C1CC(=O)C(=O)N1C;IJESRMIDNHAOGT-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182283;MM182283;C=C1CC(=N)N(C)C1=O;YRMVYPOBLKPMJW-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182284;MM182284;C=CC(C)CNNC=O;UKZYXFLUEIVSQY-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182285;MM182285;C=C1CC(=O)N(C)C1=O;QSWFISOPXPJUCT-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182286;MM182286;Cn1c(O)c(F)n(C)c1=O;BMEOWUGEAJCDKX-UHFFFAOYSA-N;146.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182287;MM182287;C=C1CC(=N)N(N)C1=C;APYKMFCAXMTXCE-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182288;MM182288;C=C1CC(=O)N(N)C1=C;SWLAVKIYEGYJEB-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182289;MM182289;C=C1CC(=C)N(N)C1=N;DHKLDFFHHLICFI-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182290;MM182290;C=C1CC(=N)N(N)C1=N;GDOAAZJUHMUZRE-UHFFFAOYSA-N;124.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182291;MM182291;C=C1CC(=O)N(N)C1=N;DXCVQODTKXPUOY-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182292;MM182292;N=c1c(F)cn(O)n1O;IEVLGXLXBQIXFH-UHFFFAOYSA-N;133.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182293;MM182293;Cc1nc(CO)nn1N;LSHUONBCKHKQDA-UHFFFAOYSA-N;128.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182294;MM182294;C=C1CC(=O)N(N)C1=O;PCHOFKONSJKYFU-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182295;MM182295;C=C1CC(=N)N(O)C1=C;WYSZZVQTUWFOFE-UHFFFAOYSA-N;124.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182296;MM182296;CN=c1onc(C)n1O;UJICYKWEAIOUMU-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182297;MM182297;C=C1CC(=O)N(O)C1=C;CZPJJLFJUFSPMU-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182298;MM182298;C=C1CC(=C)N(O)C1=N;TZMOZCJCKJXGRN-UHFFFAOYSA-N;124.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182299;MM182299;CCc1noc(=N)n1O;USAMODNQCPKMIU-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182300;MM182300;N=c1cncc(F)n1O;LUVZYGGJVUPEEC-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182301;MM182301;C=C1CC(=C)N(O)C1=O;YXYDQHNUMZIHGL-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182302;MM182302;C=c1[nH]c(=N)n(C)c1=C;NYCQSTDSKXTBKO-UHFFFAOYSA-N;123.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182303;MM182303;C=C1C(=N)NC(=N)N1C;CBYWZVSEAHIEHY-UHFFFAOYSA-N;124.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182304;MM182304;C=C1C(=O)NC(=N)N1C;VCACVOILNIIFPK-UHFFFAOYSA-N;125.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182305;MM182305;C=c1[nH]c(=O)n(C)c1=C;QALAXOJZRCIWEP-UHFFFAOYSA-N;124.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182306;MM182306;Nn1cc2nnnc-2[nH]1;RSLGQXGCDCXVEI-UHFFFAOYSA-N;124.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182307;MM182307;C=C1NC(=N)C(=N)N1C;GVRXDYDZYCIYSM-UHFFFAOYSA-N;124.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182308;MM182308;C=NN1CC1C(O)CF;UWWAYKVQKYOGFK-UHFFFAOYSA-N;132.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182309;MM182309;C=C1NC(=N)N(C)C1=N;JJCXJDTUMSFDIX-UHFFFAOYSA-N;124.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182310;MM182310;CN1C(=N)NC(=N)C1=N;UMYGIYPTRYMUIK-UHFFFAOYSA-N;125.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182311;MM182311;CN1C(=N)NC(=O)C1=N;YSSKSHZRQOTBFE-UHFFFAOYSA-N;126.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182312;MM182312;CC=CCCNNC=O;YSOIVATXZHVILC-UHFFFAOYSA-N;128.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182313;MM182313;CN1C(=N)C(=N)NC1=O;QDSFEYPGMASDOZ-UHFFFAOYSA-N;126.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182314;MM182314;C=C1N=C(N)C(=O)N1C;SPDIUVRKGRLZOC-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182315;MM182315;C=C1NC(=O)C(=O)N1C;WAPHBUZYKDHLNU-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182316;MM182316;C=NNCCC(C)(O)C=O;VCDSMNKKBFJCHA-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182317;MM182317;C=C(CC(=O)NN)C(C)C;RHKRWEHSSVIWCQ-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182318;MM182318;CN1C(=N)NC(=O)C1=O;ZKHMWPAAOJYNOR-UHFFFAOYSA-N;127.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182319;MM182319;C=C1NC(=O)N(C)C1=O;PATDKEVXTHEWLZ-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182320;MM182320;CN1C(=O)NC(=N)C1=O;CSYPDLXSWBXWPE-UHFFFAOYSA-N;127.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182321;MM182321;CN1C(=O)NC(=O)C1=O;MJJCZWPYKMGQHU-UHFFFAOYSA-N;128.09;-1.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182322;MM182322;C=c1[nH]c(=N)n(N)c1=C;BHHNDRRINGMOIO-UHFFFAOYSA-N;124.15;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182323;MM182323;C=C1C(=N)NC(=N)N1N;IRCOSAYWGXTPOS-UHFFFAOYSA-N;125.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182324;MM182324;C=C1C(=O)NC(=N)N1N;DPSYBVHGWDBFKD-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182325;MM182325;C=c1[nH]c(=O)n(N)c1=C;XNTJVKQHBWKSHA-UHFFFAOYSA-N;125.13;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182326;MM182326;C=C1C(=N)NC(=O)N1N;RTFBGTGVEDRHKU-UHFFFAOYSA-N;126.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182327;MM182327;C=C1NC(=N)C(=N)N1N;SLDFWRUJKCBKQT-UHFFFAOYSA-N;125.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182328;MM182328;CC1=NN(C=N)CC1(C)O;AUZNGMWXZQTYMU-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182329;MM182329;C=C1NC(=N)N(N)C1=N;NAKXAAWFLFTVRY-UHFFFAOYSA-N;125.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182330;MM182330;N=C1NC(=O)C(=N)N1N;BMHSFTIZBDPPLC-UHFFFAOYSA-N;127.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182331;MM182331;C=C1NC(=O)N(N)C1=N;FBYZEKFNGBKYRI-UHFFFAOYSA-N;126.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182332;MM182332;N=C1NC(=O)N(N)C1=N;DLHTYUUAYAFCKY-UHFFFAOYSA-N;127.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182333;MM182333;C=C1N=C(N)C(=O)N1N;JMZJFRRTPPUZDA-UHFFFAOYSA-N;126.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182334;MM182334;C=C1NC(=O)C(=O)N1N;RRYGKZMNISEWLD-UHFFFAOYSA-N;127.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182335;MM182335;C=C(CCC)CC(=O)NN;AOGMSMYNNQACFH-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182336;MM182336;CCC=C(C)CC(=O)NN;VKGNCSCDWXZWPZ-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182337;MM182337;N=C1NC(=O)C(=O)N1N;GSZLWZUELYVFKB-UHFFFAOYSA-N;128.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182338;MM182338;C=C1NC(=O)N(N)C1=O;WRCBNKBYIHWPAD-UHFFFAOYSA-N;127.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182339;MM182339;N=C1NC(=O)N(N)C1=O;YBSFZBZAKFIYJY-UHFFFAOYSA-N;128.09;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182340;MM182340;Cn1c(O)c(O)[nH]c1=O;ZAKOKNKIXJIPMQ-UHFFFAOYSA-N;130.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182341;MM182341;C=c1[nH]c(=N)n(O)c1=C;VDXGTYDHSGSXDK-UHFFFAOYSA-N;125.13;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182342;MM182342;C=C1C(=O)NC(=N)N1O;VYPAMXIQKZUCRX-UHFFFAOYSA-N;127.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182343;MM182343;C=C1C(=N)NC(=O)N1O;HQZGGEJYEPFFFT-UHFFFAOYSA-N;127.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182344;MM182344;C=C1NC(=O)C(=N)N1O;OPVMZSVORWFNCK-UHFFFAOYSA-N;127.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182345;MM182345;N=C1NC(=O)C(=N)N1O;OVQWFPRSFJUIAV-UHFFFAOYSA-N;128.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182346;MM182346;C=C1NC(=N)N(O)C1=O;LLEAJBUTBNSWBP-UHFFFAOYSA-N;127.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182347;MM182347;C=C1C(=O)OC(=N)N1C;QEYXSCSMFXYHOD-UHFFFAOYSA-N;126.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182348;MM182348;C=C1C(=O)OC(=O)N1C;PISIOPMBAVOQDQ-UHFFFAOYSA-N;127.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182349;MM182349;C=c1oc(=C)n(C)c1=N;BDTPWMJMRNSWIN-UHFFFAOYSA-N;124.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182350;MM182350;C=C1OC(=O)C(=N)N1C;PLGTYJAOUUNSBQ-UHFFFAOYSA-N;126.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182351;MM182351;CN1C(=N)OC(=O)C1=N;BLVKEEVWAHQKQI-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182352;MM182352;CN1C(=N)C(=O)OC1=O;RJAFCJJKUIEMHS-UHFFFAOYSA-N;128.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182353;MM182353;C=c1oc(=C)n(C)c1=O;NAAXDSIMZPVKFF-UHFFFAOYSA-N;125.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182354;MM182354;C=C1OC(=O)C(=O)N1C;JYUYZGVFNXZCIB-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182355;MM182355;CN1C(=N)OC(=O)C1=O;TZOCHSOHRMJOOP-UHFFFAOYSA-N;128.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182356;MM182356;CN1C(=O)OC(=O)C1=O;RCOGUENHMUNEPT-UHFFFAOYSA-N;129.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182357;MM182357;C=C1C(=O)OC(=N)N1N;FEXGHGXSVZBSJH-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182358;MM182358;C=C1C(=O)OC(=O)N1N;XDRAKUQFCQHIHA-UHFFFAOYSA-N;128.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182359;MM182359;C=c1oc(=C)n(N)c1=N;JJGFPNRLRFIVJT-UHFFFAOYSA-N;125.13;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182360;MM182360;C=C1OC(=O)C(=N)N1N;UUIJDSDOBWKJHC-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182361;MM182361;N=C1OC(=O)C(=N)N1N;IQMMTFFLMLJZSA-UHFFFAOYSA-N;128.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182362;MM182362;N=C1C(=O)OC(=O)N1N;QIZFWTGTFLHOBQ-UHFFFAOYSA-N;129.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182363;MM182363;C=c1oc(=C)n(N)c1=O;QYNHXVFXOUYUGZ-UHFFFAOYSA-N;126.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182364;MM182364;NN1C(=O)OC(=O)C1=O;VZOWNGAQVXQCDT-UHFFFAOYSA-N;130.06;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182365;MM182365;COC(=NC(N)=O)N(C)C;HHEAUHIJRCCLOB-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182366;MM182366;C=C1OC(=O)C(=N)N1O;IUCJPNSYYLIBOO-UHFFFAOYSA-N;128.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182367;MM182367;N=C1OC(=O)C(=N)N1O;CRDUCRFUVNJCMX-UHFFFAOYSA-N;129.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182368;MM182368;N#CC(F)C(=O)C(F)C=O;PNDTUSPFKHLZPH-UHFFFAOYSA-N;147.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182369;MM182369;C=C1C(=C)C(C)CC1C;FSFVKSCFBRQJKG-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182370;MM182370;C=C1C(=C)C(N)CC1C;KJMJWHPUZASWQG-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182371;MM182371;CC(C=NN)=CC#CCO;SIPUYQRBCXBFCP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182372;MM182372;C=C1C(=C)C(N)CC1N;PDMOOHRLCKOKON-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182373;MM182373;C=C1C(=C)C(O)CC1N;GPZAKZFPSLQMEO-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182374;MM182374;C=C1C(=C)C(F)CC1N;UDFRGBZFPGXTFD-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182375;MM182375;C=C1C(=C)C(O)CC1O;JYSUWGJRUKEKFX-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182376;MM182376;C=C1C(=C)C(F)CC1O;JCPNCOZFBQWZRE-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182377;MM182377;C=C1C(=C)C(F)CC1F;UPXOJJCNSBGUNY-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182378;MM182378;C=C1C(=O)C(C)CC1C;ZLXQDPGPNXWQOT-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182379;MM182379;C=C1C(=O)C(O)CC1C;ANTLZGSMRIRPSD-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182380;MM182380;C=C1C(=O)C(F)CC1C;QSVPBWBHGKSHRZ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182381;MM182381;C=C1C(=O)C(C)CC1O;CFIMSINLPSQROF-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182382;MM182382;C=C1C(=O)C(O)CC1O;RIZAMOPQTLOLSC-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182383;MM182383;C=C1C(=O)C(C)CC1F;HXYRIZKKQNQUDV-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182384;MM182384;C=C1C(=O)C(O)CC1F;VFCHXGGUSLLIIG-UHFFFAOYSA-N;130.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182385;MM182385;CC1CC(C)C(=O)C1=O;MIDXCONKKJTLDX-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182386;MM182386;CC1CC(O)C(=O)C1=O;SXYRXXPGWYHOMW-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182387;MM182387;C=C1C(=C)C(C)NC1C;MNPPONTXCWZOJJ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182388;MM182388;Cc1[nH]c(C)c(O)c1O;GLFFWCMHBLZSEA-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182389;MM182389;C=C1C(=C)C(C)OC1C;SCRBYXOLSCAWJW-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182390;MM182390;C=C1C(=O)C(C)OC1C;NNVSVSPOOIAAFD-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182391;MM182391;C=C1C(=N)N(C)CC1C;LYSDROHMHCTKKG-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182392;MM182392;C=C1C(=N)N(N)CC1C;XCYXAMDESJPEIE-UHFFFAOYSA-N;125.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182393;MM182393;C=C1C(=N)N(O)CC1C;AXISAFTUSFBXJL-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182394;MM182394;C=C1C(=N)N(C)CC1N;VGUUMAQWIRNKAK-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182395;MM182395;C=C1C(=N)N(C)CC1O;SRYMCNSTXCGURL-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182396;MM182396;C=C1C(=N)N(N)CC1O;OZSNYMFIFCHIMK-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182397;MM182397;C=C1C(=N)N(C)CC1F;RACWEGPSTYTVHQ-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182398;MM182398;C=C1C(=O)N(C)CC1C;IEBOSDIVTFMKJP-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182399;MM182399;C=C1C(=O)N(N)CC1C;LWBGJUVHGPSLJS-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182400;MM182400;C=C1C(=O)N(O)CC1C;LKSCFCDPDKDKES-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182401;MM182401;C=C1C(=O)N(C)CC1N;DTDDTPVHNLJCOI-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182402;MM182402;C=C1C(=O)N(C)CC1O;ZZWBTLKEDYJHQK-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182403;MM182403;C=CN(C=N)C(=O)C(C)O;DAJOOHGIAZIWQS-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182404;MM182404;C=C1C(=O)N(C)CC1F;LULIAFSKCCDAEZ-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182405;MM182405;CC1CN(C)C(=N)C1=O;KNJNWUQRWPJMQM-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182406;MM182406;COC=CNC(=O)N(C)N;VPXULBRVIOODGQ-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182407;MM182407;CC(C)=C(C)CNNC=O;FHJQHPNKXMYHQC-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182408;MM182408;N=C1C(=O)C(O)CN1O;AIGCVKVNCCOCDA-UHFFFAOYSA-N;130.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182409;MM182409;CC1CN(C)C(=O)C1=O;NPXUBGJETPTVJL-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182410;MM182410;CN1CC(O)C(=O)C1=O;BBZQWIXTVXNODR-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182411;MM182411;C=C1C(=N)N(C)NC1C;NFHBZGQADPAJQW-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182412;MM182412;C=C1C(=O)N(C)NC1C;QRJYHMPSYHCHAR-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182413;MM182413;C#Cc1coc(=O)n1O;SODGPUNCPFSVAA-UHFFFAOYSA-N;125.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182414;MM182414;C=C1C(=N)N(C)OC1C;SERFGPVJKTXDFO-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182415;MM182415;C=C1C(=O)N(C)OC1C;HQTPRQDJCCASPN-UHFFFAOYSA-N;127.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182416;MM182416;Nc1nc(=O)on(O)c1=O;DTZUBKYGNXFTMG-UHFFFAOYSA-N;145.07;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182417;MM182417;O=Cc1cc(=O)n(O)nn1;KDAGYDAWMQMSJF-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182418;MM182418;O=C1N=CC(=O)C(=O)N1;SOFSSZFBVOGIKD-UHFFFAOYSA-N;126.07;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182419;MM182419;O=CNNC(=O)N(O)C=O;WMBNNTAVHBVNTL-UHFFFAOYSA-N;147.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182420;MM182420;Cc1nc2o[nH]c(=O)n2n1;JAVMFDVGFQKGFQ-UHFFFAOYSA-N;140.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182421;MM182421;Oc1c2oc(c1O)COC2;VMXKMOKEALORLP-UHFFFAOYSA-N;142.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182422;MM182422;CC(=NO)C(F)C=O;NJEWTGRJZZSMLP-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182423;MM182423;C=COC(C=NO)OC=C;XMXNQQVQFGUZHP-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182424;MM182424;Cc1[nH]nc(O)c1N;VUYWQWFWWHLKFG-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182425;MM182425;NN=c1oc(=O)n(O)n1O;IVMGYLRWKNUADT-UHFFFAOYSA-N;148.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182426;MM182426;Nn1cc(F)c(O)nc1=O;KTOGREPWYGSSKH-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182427;MM182427;N=c1nc(C(=O)C=O)o[nH]1;UNBGCJXIAFZBPI-UHFFFAOYSA-N;141.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182428;MM182428;N=c1[nH]c(F)cc(=NO)o1;XLQJWLNGTDXPDF-UHFFFAOYSA-N;145.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182429;MM182429;CC=C(CC)CC(=O)NN;ZEVAYIPACBTKJN-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182430;MM182430;Cn1on(C)c(=O)c1=N;QQCWHIZVLLZMPE-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182431;MM182431;Cn1on(N)c(=O)c1=N;WJGZMNCSEOOMBH-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182432;MM182432;COCOc1nc(=N)[nH]o1;ZUICBMYRZVGDEN-UHFFFAOYSA-N;145.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182433;MM182433;Cn1on(N)c(=N)c1=O;QKWMXUIVEJAYKF-UHFFFAOYSA-N;130.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182434;MM182434;N=c1c(=O)n(N)on1N;NHEHATUNULJKPH-UHFFFAOYSA-N;131.1;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182435;MM182435;Cn1nnc(=O)n1O;HFEBRAVRBWKSIO-UHFFFAOYSA-N;116.08;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182436;MM182436;N=c1onc(N)c(=N)n1O;QESJVMITPCIZTB-UHFFFAOYSA-N;143.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182437;MM182437;Cc1ncc(F)n(O)c1=N;IGGPJKHWMNKSSG-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182438;MM182438;Nc1cc(=O)n(O)nn1;ZMNOXISRBYHUAX-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182439;MM182439;Cn1on(C)c(=O)c1=O;PXEMYXXFOIOJNS-UHFFFAOYSA-N;130.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182440;MM182440;Cn1on(N)c(=O)c1=O;ACMYAWPPMDVPCC-UHFFFAOYSA-N;131.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182441;MM182441;CCn1nnc(=O)n1O;AXYGSFYUFRSXKE-UHFFFAOYSA-N;130.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182442;MM182442;Nn1on(N)c(=O)c1=O;XTJQSGXHPVUZLE-UHFFFAOYSA-N;132.08;-2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182443;MM182443;Cc1nc(=O)on(O)c1=O;XPJLCKLQOXKWRG-UHFFFAOYSA-N;144.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182444;MM182444;CNc1cc(=O)n(O)nn1;VIPWVQWWCMCZPL-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182445;MM182445;C=C1CC(C)C(=C)C1=C;YBFUHHMRXWTAIW-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182446;MM182446;C=C1C(=C)C(C)CC1=O;LXDZDKLDTRBLLD-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182447;MM182447;C=C1CC(N)C(=C)C1=C;MLXBNCTUJWWCED-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182448;MM182448;Cc1ncc(=N)n(O)c1F;BAHXPYDANVDPMF-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182449;MM182449;C=C1C(=C)C(O)CC1=O;XVXRHABCHWLCPC-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182450;MM182450;C=C1CC(F)C(=C)C1=C;AXBWDOMMWHIOMH-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182451;MM182451;C=C1C(=C)C(F)CC1=O;ANXNNXZSAQRCGC-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182452;MM182452;C=C1CC(C)C(=C)C1=O;PPNTVWAWFIZOOU-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182453;MM182453;C=C1C(=O)C(=O)CC1C;ZSIURSWBGZKCCR-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182454;MM182454;C=C1CC(O)C(=C)C1=O;JDMZKRSKKQJNHH-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182455;MM182455;C=C1C(=O)C(=O)CC1O;KPQAXNZHNAEINT-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182456;MM182456;C=C1CC(F)C(=C)C1=O;MVTSUZSOUWUZPU-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182457;MM182457;C=C1CC(C)C(=O)C1=C;BZSIFPPQLKYKNF-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182458;MM182458;C=C1C(=O)CC(C)C1=O;JOLYFVJXLWUTBQ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182459;MM182459;C=C1CC(O)C(=O)C1=C;KUCWEEOBYSYYHK-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182460;MM182460;C=C1C(=O)CC(O)C1=O;UUZYUTQKJWPIFA-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182461;MM182461;C=C1CC(F)C(=O)C1=C;YCAWYCGSQKIIGF-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182462;MM182462;C=C1CC(C)C(=O)C1=O;PJOMHNZSANQITQ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182463;MM182463;CC1CC(=O)C(=O)C1=O;ACVMPTLGZQDTHD-UHFFFAOYSA-N;126.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182464;MM182464;C=C1CC(O)C(=O)C1=O;ZSDUJRMPJPLLNJ-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182465;MM182465;O=C1CC(O)C(=O)C1=O;KTQJVAHUBAIQJK-UHFFFAOYSA-N;128.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182466;MM182466;C=C1CC(F)C(=O)C1=O;IWRZCKOTCCQBBX-UHFFFAOYSA-N;128.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182467;MM182467;C=C1C(=C)C(C)NC1=N;YLWYTJRATWKDTR-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182468;MM182468;C=C1C(=C)C(C)NC1=O;ZNILQKYHNAWKSO-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182469;MM182469;C=C1C(=O)C(N)=NC1C;GYACGSCNEJZCRY-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182470;MM182470;C=C1C(=O)C(=O)NC1C;DYSJENDHWZDDDP-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182471;MM182471;C=C1C(=O)NC(C)C1=O;MURWHRDJFFZTLM-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182472;MM182472;CC1N=C(N)C(=O)C1=O;UKHJFBIMMSIZOH-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182473;MM182473;CC1NC(=O)C(=O)C1=O;JIXBBTUDYLCNDB-UHFFFAOYSA-N;127.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182474;MM182474;C=C1OC(C)C(=C)C1=C;YFKRQVXVIUPDJH-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182475;MM182475;C=C1C(=C)C(C)OC1=O;NTGQFDKFCDCLNZ-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182476;MM182476;C=C1OC(C)C(=C)C1=O;MOMBQUHZDNZQIV-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182477;MM182477;C=C1C(=O)C(=O)OC1C;FGSSXYLJLJFKMP-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182478;MM182478;C=C1OC(C)C(=O)C1=C;VECGCIUMDIMSEB-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182479;MM182479;C=C1C(=O)OC(C)C1=O;YYDPTGWOUMTIAG-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182480;MM182480;C=C1OC(C)C(=O)C1=O;QNXPRMJHYUHYKW-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182481;MM182481;CC1OC(=O)C(=O)C1=O;KDDIGKJOTSBYSK-UHFFFAOYSA-N;128.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182482;MM182482;C=C1CN(C)C(=N)C1=C;DSNFNIXZVRKDJM-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182483;MM182483;C=C1CN(N)C(=N)C1=C;MLMDFHNKWLFWAZ-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182484;MM182484;CNc1nc(=O)n(C)n1O;HYINLIOJNXVFJU-UHFFFAOYSA-N;144.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182485;MM182485;C=C1CN(C)C(=N)C1=O;GBSSKFJLIDWUHF-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182486;MM182486;CN1CC(=O)C(=O)C1=N;RCRPOMRJEHYDFM-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182487;MM182487;CC(=O)N(N)C1C(O)C1O;FPMRGGFLAVJHOV-UHFFFAOYSA-N;146.15;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182488;MM182488;N=C1C(=O)C(=O)CN1O;JNJRYHHFFMDCFQ-UHFFFAOYSA-N;128.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182489;MM182489;C=C1CN(C)C(=O)C1=C;WLKICRBKYQDYMM-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182490;MM182490;C=C1C(=O)CN(C)C1=O;DGNOPVSSECIYHT-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182491;MM182491;CC=C(CC)CNNC=O;OQPGJVJDVDVWEB-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182492;MM182492;C=C1CN(C)C(=O)C1=O;XXDHKWNPCMSXIO-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182493;MM182493;CN1CC(=O)C(=O)C1=O;KSBBBSQUBKDEAV-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182494;MM182494;C=C1C(=N)NN(C)C1=N;QHCDWXDLKOKJED-UHFFFAOYSA-N;124.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182495;MM182495;CN=c1c(F)cn(O)n1O;JKZWVTXRHCNTCP-UHFFFAOYSA-N;147.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182496;MM182496;C=NN(CC)C1C(O)C1O;RGDMQZJCPKIDJG-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182497;MM182497;C=C1C(=O)NN(C)C1=O;CMLYNJHZHHZSHJ-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182498;MM182498;CN1N=C(N)C(=O)C1=O;HTEWIIPVEGQSIW-UHFFFAOYSA-N;127.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182499;MM182499;C=C1C(=N)N(C)OC1=O;AWULWPGOURIKBU-UHFFFAOYSA-N;126.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182500;MM182500;CN1OC(=O)C(=O)C1=N;WQPOVCAKMPKXLS-UHFFFAOYSA-N;128.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182501;MM182501;C=C1C(=O)ON(C)C1=O;BXUFNTAAXYSLEO-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182502;MM182502;CN1OC(=O)C(=O)C1=O;NGCNSQWLVNPJIX-UHFFFAOYSA-N;129.07;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182503;MM182503;C=C1CC(=C)C(=C)C1=C;BRPDGSBYVSTFPE-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182504;MM182504;C=C1CC(=O)C(=C)C1=C;GTSVUBWMIDMDJD-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182505;MM182505;C=C1C(=C)C(=O)CC1=O;SVUPTXOLOJJWKF-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182506;MM182506;C=C1CC(=C)C(=O)C1=C;VVUQANTZANPHSJ-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182507;MM182507;C=C1CC(=O)C(=O)C1=C;PHQKPFJHKVSNNK-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182508;MM182508;C=C1CC(=O)C(=C)C1=O;QRIGFEIETDNHKR-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182509;MM182509;Cn1oc(=O)cc(O)c1=O;UKIMUBZJXAQVHY-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182510;MM182510;C=C1CC(=C)C(=O)C1=O;KLPFPDBCXXHTBQ-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182511;MM182511;C=C1CC(=O)C(=O)C1=O;PQNNCFUIBHUNBG-UHFFFAOYSA-N;124.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182512;MM182512;O=C1CC(=O)C(=O)C1=O;GFENNDYJHQZTSZ-UHFFFAOYSA-N;126.07;-1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182513;MM182513;C=C1NC(=N)C(=C)C1=C;ZJFUHVLNQMXKJE-UHFFFAOYSA-N;120.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182514;MM182514;C=C1NC(=O)C(=C)C1=C;HJUUBBPDUOELOS-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182515;MM182515;C=C1C(=C)C(=N)NC1=N;YJTSUXVNUKYYEX-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182516;MM182516;C=C1C(=C)C(=O)NC1=N;OJTYNJXZSZKDRW-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182517;MM182517;C=C1C(=C)C(=O)NC1=O;MDASOJGWVKICEJ-UHFFFAOYSA-N;123.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182518;MM182518;C=C1NC(=N)C(=O)C1=C;KYLNMIYDFZMJKB-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182519;MM182519;C=C1NC(=O)C(=O)C1=C;YZGRHUYOALPVPM-UHFFFAOYSA-N;123.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182520;MM182520;OCC=NNC1C(O)C1O;GQWKCVKKRZERSE-UHFFFAOYSA-N;146.15;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182521;MM182521;C=C1C(=N)NC(=O)C1=O;NJCQUVISKVDFBB-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182522;MM182522;C=C1NC(=O)C(=C)C1=O;SWTHQLTXIIAHIY-UHFFFAOYSA-N;123.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182523;MM182523;C=C1C(=O)NC(=N)C1=O;PCZJKDPCRCHRFV-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182524;MM182524;NN=CC#CCC#CCO;OHWZCUUNSLZYOG-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182525;MM182525;C=C1NC(=O)C(=O)C1=O;XEXJJIQMRIUFMC-UHFFFAOYSA-N;125.08;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182526;MM182526;CN1N=CCC1=O;NNZXDXMEXBYSRF-UHFFFAOYSA-N;98.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182527;MM182527;N=c1[nH]c(=O)c(=O)c1=O;BNCAIGWGAYKIQE-UHFFFAOYSA-N;126.07;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182528;MM182528;C=c1oc(=C)c(=C)c1=C;LYXDAXPYKPNXJI-UHFFFAOYSA-N;120.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182529;MM182529;C=C1OC(=O)C(=C)C1=C;LHAHSCNKAQVNRC-UHFFFAOYSA-N;122.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182530;MM182530;C=C1C(=C)C(=O)OC1=O;CVSBQYRTJFKYQL-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182531;MM182531;C=C1OC(=C)C(=O)C1=C;WGZPJMSNJUNIBY-UHFFFAOYSA-N;122.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182532;MM182532;C=C1OC(=O)C(=O)C1=C;CNCHHSJQULWXLZ-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182533;MM182533;C=C1OC(=O)C(=C)C1=O;MUOCGOMNYIABOV-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182534;MM182534;C=C1C(=O)OC(=O)C1=O;TYVALCWTFQXYPJ-UHFFFAOYSA-N;126.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182535;MM182535;C=C1OC(=C)C(=O)C1=O;ADXCTZJVFHKSKB-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182536;MM182536;C=C1OC(=O)C(=O)C1=O;FVYVDJRIFVEKKB-UHFFFAOYSA-N;126.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182537;MM182537;O=c1oc(=O)c(=O)c1=O;MWYOLVRJQZKEBP-UHFFFAOYSA-N;128.04;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182538;MM182538;CC1=CC(C)C(C)C1C;KQRISBZDNJVTAL-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182539;MM182539;CC1C=C(F)C(C)C1C;PWLOYAQICJKSGG-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182540;MM182540;CC1=CC(N)C(C)C1C;DGJBUPIZMJZCBY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182541;MM182541;CC1C(F)=CC(N)C1C;NGTKRGBNMVTANB-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182542;MM182542;CC1=CC(F)C(C)C1C;LYYWJFZGRXCZMG-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182543;MM182543;CC1C(F)=CC(F)C1C;XENJCCDCWOTHSS-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182544;MM182544;CC1=CC(C)C(C)C1N;ARODCJDMYJNJEG-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182545;MM182545;CC1C=C(F)C(N)C1C;KKIMFQNNJNGNRA-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182546;MM182546;CC1=CC(N)C(C)C1N;VUKHFXYCIGVQCI-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182547;MM182547;CC1=CC(O)C(C)C1N;RJWRXICVTHRBQO-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182548;MM182548;CC1=CC(F)C(C)C1N;LLNWXUBLXIDYLW-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182549;MM182549;CC1=CC(N)C(C)C1O;GLFZOZCVGQXHNH-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182550;MM182550;CC1=CC(C)C(N)C1C;IGSSKSJYCLJSTF-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182551;MM182551;CC1C=C(F)C(C)C1N;HWXWKXYBXJKHPB-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182552;MM182552;CC1=CC(N)C(N)C1C;FGYJPOSJZLBQHR-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC2";;;;;;;1.72;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182553;MM182553;CC1C(F)=CC(N)C1N;NUHXIJURRABGHQ-UHFFFAOYSA-N;130.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182554;MM182554;CC1=CC(O)C(N)C1C;XNTKQNQSWMPAIO-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC2";;;;;;;1.72;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182555;MM182555;CC1C(F)=CC(O)C1N;QBVUPFHCCICFOM-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182556;MM182556;CC1=CC(F)C(N)C1C;XWGFUHHPHFJHRK-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182557;MM182557;CC1=CC(C)C(N)C1N;ARLRBLYGWPGSIV-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182558;MM182558;CC1=CC(N)C(N)C1N;YLWJMJCBAQLJDJ-UHFFFAOYSA-N;127.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182559;MM182559;CC1=CC(F)C(N)C1N;CBAOTZLQALVYOT-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182560;MM182560;CC1=CC(O)C(N)C1O;CDCDRBCJIVVCBT-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182561;MM182561;CNc1ccc(F)[nH]1;HPNHRAKKMRRQOM-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182562;MM182562;CC1C=C(F)C(C)C1O;XTRQIUULCAXWNK-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182563;MM182563;CC1=CC(N)C(O)C1C;LFSRGPKRAOWMCC-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC2";;;;;;;1.72;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182564;MM182564;CC1C(F)=CC(N)C1O;PIRHFGNAXDTQDE-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182565;MM182565;CC1=CC(C)C(O)C1N;PZFMTZJQPNQGSN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182566;MM182566;NC1C=C(F)C(N)C1O;MUQBUJXALBGYPA-UHFFFAOYSA-N;132.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182567;MM182567;CC1=CC(O)C(O)C1N;NMHDYVMRDSVRDJ-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182568;MM182568;CC1=CC(C)C(O)C1O;GCVIWCXHEKZNMN-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182569;MM182569;CC1=CC(C)C(F)C1C;GQXKXNUGHFWRDQ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182570;MM182570;CC1C=C(F)C(C)C1F;CKENDPJRTYZUAH-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182571;MM182571;CC1=CC(N)C(F)C1C;UWZYHOKSECMLLE-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182572;MM182572;CC1C(F)=CC(N)C1F;KXVKACPHFVUJSK-UHFFFAOYSA-N;133.14;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182573;MM182573;CC1=CC(O)C(F)C1C;YQQCSIPAYZINSB-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182574;MM182574;CC1C(F)=CC(O)C1F;ZUSNAZBPSQXBDP-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182575;MM182575;CC1=CC(C)C(F)C1N;MWZRHCBRMBLSCA-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182576;MM182576;CC1=NN(C)C(C)C1C;KXZPTIZHTBZVSI-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182577;MM182577;CC1=NC(C)C(C)N1C;QDNOOPUIJMXSIN-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182578;MM182578;CC1=CC(C)N(C)C1C;ZOLSZBVTIOHIEF-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182579;MM182579;C=C1C=C(C)C(C)C1C;NABVVFSDRFZQOW-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182580;MM182580;C=C1C=C(F)C(C)C1C;RQKZIEGZZJMVPH-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182581;MM182581;CC1=CC(=O)C(C)C1C;LPBXNOSWWUFYQN-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182582;MM182582;CC1C(=O)C=C(N)C1C;MVAJPFCGZFIAML-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182583;MM182583;CC1C(=O)C=C(F)C1C;CVHLDFBUYZGXOM-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182584;MM182584;C=C1C=C(C)C(N)C1C;IMBISRHRFJHRFN-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182585;MM182585;C=C1C=C(F)C(N)C1C;RXXWVKMOXVBUCV-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182586;MM182586;C=NNC1C(O)C1O;IDAUAIJRGRLQSI-UHFFFAOYSA-N;116.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182587;MM182587;CC1=CC(=O)C(C)C1O;HNLTWOAQKRDJJK-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182588;MM182588;C=C1C=C(C)C(F)C1C;NKRVELHRPGLQNC-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182589;MM182589;CC1=CC(=O)C(C)C1F;LCNGNOKNYPECHB-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182590;MM182590;CC1C(=O)C=C(N)C1F;GOBKKTGQDAVTRS-UHFFFAOYSA-N;129.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182591;MM182591;C=C1C=C(C)C(C)C1N;FSMJRBWBZRBBTQ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182592;MM182592;C=C1C=C(F)C(C)C1N;OIDRQQBGJARNMV-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182593;MM182593;C=C1C=C(C)C(N)C1N;QRIOOWGSPOHYHD-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182594;MM182594;C=C1C=C(C)C(O)C1N;VPOFJJUMULZLES-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182595;MM182595;NN1C(=O)NC2CC21;IKTPZSDABOWURM-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182596;MM182596;C=C1C=C(F)C(C)C1O;SLBGUEMYJVNSQK-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182597;MM182597;C=C1C=C(C)C(N)C1O;QHSBUOCMWTYJKB-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182598;MM182598;CC1=CC(=O)C(O)C1O;KXOWHZMNPYXWQV-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182599;MM182599;NC1=CC(=O)C(O)C1O;QDKANHWOACPMDR-UHFFFAOYSA-N;129.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182600;MM182600;C=C1C=C(C)C(C)C1F;AJHLZFOHOGBHBD-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182601;MM182601;C=C1C=C(F)C(C)C1F;JGSGWAGSSQKFJE-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182602;MM182602;Cc1cc(O)c(C)n1C;CNCSBEOCNLZBKF-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182603;MM182603;Cc1c(O)cc(N)n1C;ZRDRGKPJNKRAMV-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182604;MM182604;CC1=NC(=O)C(C)N1C;VIAZSUDMVHVKAR-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182605;MM182605;C=CC(C)=CC(=O)NN;KTGPGFJITPFUFP-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182606;MM182606;CCC1=NN(C)C(=O)C1;UIARRXNAPPSDFS-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182607;MM182607;Nc1nc(CO)nn1N;QDYVZBBQYFJSAW-UHFFFAOYSA-N;129.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182608;MM182608;CC1=NC(=O)C(C)N1O;UIROUPYRWLBKCW-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182609;MM182609;CC1=CC(=N)N(C)C1C;ILZPQPBCMVBILI-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182610;MM182610;CC1C(N)=CC(=N)N1C;GCZCLSLOHKRYQZ-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182611;MM182611;CC1C(F)=CC(=N)N1C;XKHNHMZXXGELNS-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182612;MM182612;CC1=CC(=O)N(C)C1C;MUGJZBZASGRYSZ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182613;MM182613;CC1C(N)=CC(=O)N1C;MCKCHXNJVLVDGL-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182614;MM182614;CC1C(F)=CC(=O)N1C;PAJLTUGQPNZWGE-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182615;MM182615;CC1=CC(=N)N(N)C1C;JYLUQFMFLWUFSI-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182616;MM182616;CC1C(N)=CC(=N)N1N;QXSHCDIIVLQDCA-UHFFFAOYSA-N;126.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182617;MM182617;CC1=CC(=O)N(N)C1C;YNMUJULLNIJBSD-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182618;MM182618;CC1C(N)=CC(=O)N1N;XXLLXBUAYBIKJD-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182619;MM182619;N=c1cc(F)cnn1O;HPBTVPWVQIYINF-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182620;MM182620;Cc1cc(=N)n(C)n1C;HEASUPWZZWRQTA-UHFFFAOYSA-N;125.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182621;MM182621;Cn1c(N)cc(=N)n1C;VXCLNOQRFMQPSV-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182622;MM182622;Cn1c(F)cc(=N)n1C;DJQULDJNWGTCPN-UHFFFAOYSA-N;129.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182623;MM182623;Cc1cc(=O)n(C)n1C;KLGIDBKERXRXGX-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182624;MM182624;Cn1c(N)cc(=O)n1C;PHEZUYGQAQUREA-UHFFFAOYSA-N;127.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182625;MM182625;Cn1c(O)cc(=O)n1C;FLYUWRKPUKFRQA-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182626;MM182626;Cn1c(F)cc(=O)n1C;FJDKWOIADVNYTJ-UHFFFAOYSA-N;130.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182627;MM182627;Cc1cc(=N)n(C)n1N;CSVXYXJEGUQSOP-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182628;MM182628;Cn1c(=N)cc(N)n1N;UGUOKSJIXBFKNB-UHFFFAOYSA-N;127.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182629;MM182629;Cn1c(=N)cc(F)n1N;ICUZTKSLGXEGGJ-UHFFFAOYSA-N;130.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182630;MM182630;Cc1cc(=O)n(C)n1N;LTATTYGKZWACEQ-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182631;MM182631;CC1=CCC(=NN)C1O;FTYZSOZAGGPNDP-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182632;MM182632;Cn1c(=O)cc(O)n1N;WHXWOPNYEFGRQE-UHFFFAOYSA-N;129.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182633;MM182633;Cn1c(=O)cc(F)n1N;JWPUJBJSIIHZHT-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182634;MM182634;Cc1cc(=N)n(C)n1O;VYKRALWSQGUKFD-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182635;MM182635;Cn1c(=N)cc(N)n1O;KOMTYFYRHNWMOU-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182636;MM182636;Cc1cc(=O)n(C)n1O;SHKCKEXLZXWAGO-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182637;MM182637;Cn1c(=O)cc(N)n1O;SFSZGKUEWLDSGV-UHFFFAOYSA-N;129.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182638;MM182638;Cn1c(=O)cc(O)n1O;ZFLFPMLTYJXSLM-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182639;MM182639;Cn1c(=O)cc(F)n1O;WWARWVZYMWKDBC-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182640;MM182640;Cc1cc(=N)n(N)n1C;BFFNBWZIPTXKLO-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182641;MM182641;Cn1c(N)cc(=N)n1N;XOERNWKXEXRWEZ-UHFFFAOYSA-N;127.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182642;MM182642;Cc1cc(=O)n(N)n1C;MHYLCYYKYZMTMN-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182643;MM182643;Cn1c(N)cc(=O)n1N;DTYGDFXVHWGQOH-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182644;MM182644;Cn1c(O)cc(=O)n1N;ZSGLNTUXYFZTHO-UHFFFAOYSA-N;129.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182645;MM182645;Cn1c(F)cc(=O)n1N;MCPYDRJVSVVKPA-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182646;MM182646;Cc1cc(=N)n(N)n1N;ZLFGOUVBVOWDMQ-UHFFFAOYSA-N;127.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182647;MM182647;N=c1cc(N)n(N)n1N;CTIPXJIZDLMKHP-UHFFFAOYSA-N;128.14;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182648;MM182648;Cc1cc(=O)n(N)n1N;JXLJIBDTASQOFU-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182649;MM182649;Nc1cc(=O)n(N)n1N;NYFNXIRAJYZBDT-UHFFFAOYSA-N;129.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182650;MM182650;Nn1c(O)cc(=O)n1N;RRPNYSZMSZDZST-UHFFFAOYSA-N;130.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182651;MM182651;Nn1c(F)cc(=O)n1N;LBWQUQNQXDKCJT-UHFFFAOYSA-N;132.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182652;MM182652;CN(O)C=NC=NC(N)=O;WKRHRGRGWXFQLJ-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182653;MM182653;CC(C)C(N)=CC(=O)NN;VSFBCDSFWIGSGO-UHFFFAOYSA-N;143.19;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182654;MM182654;CCCC(N)=CC(=O)NN;YQYXIJHALYRCKF-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182655;MM182655;Cc1cc(=N)n(O)n1C;FOJICCFASUEYSO-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182656;MM182656;Cn1c(N)cc(=N)n1O;UBZHOCBBYXGJDO-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182657;MM182657;Cc1cc(=N)n(O)n1N;AKTOZUSGUDRDBB-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182658;MM182658;N=c1cc(N)n(N)n1O;AFPAKGCGXMEWGX-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182659;MM182659;Nc1nc(=O)n(O)cc1O;HGDMLQKXLMKACQ-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182660;MM182660;CCNC(C)=CC(=O)NN;YIFRWLMNKDPSMI-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182661;MM182661;COc1n[nH]c(=O)n1O;JEFYEMQGHYGMIN-UHFFFAOYSA-N;131.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182662;MM182662;N=c1o[nH]c(=O)n1O;AWHUTURGALCGAI-UHFFFAOYSA-N;117.06;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182663;MM182663;CONC(=O)C(F)=CN;LGYUHWHGFWUZFL-UHFFFAOYSA-N;134.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182664;MM182664;CN=c1nc(C)oc(=O)[nH]1;HXHMQSPLABRHCO-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182665;MM182665;Cc1nc(=N)n(C)n1C;VKXQLQAAXAKGSV-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182666;MM182666;Cn1c(N)nc(=N)n1C;BFRSMWZKJCVEIH-UHFFFAOYSA-N;127.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182667;MM182667;Cc1nc(=O)n(C)n1C;NXADOJXJBFGDPM-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182668;MM182668;CCNC(=NC(N)=O)OC;JLCHSZAMEILDBF-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182669;MM182669;Cc1nc(=N)n(C)n1N;MXLWUMJZHWODHX-UHFFFAOYSA-N;127.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182670;MM182670;Cn1c(=N)nc(N)n1N;DTBZMWSUTQHSKQ-UHFFFAOYSA-N;128.14;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182671;MM182671;Cc1nc(=O)n(C)n1N;XSUHEQPKWQCIAZ-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182672;MM182672;CCOC(=NC(N)=O)NC;QGXFRASTTAPXPW-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182673;MM182673;Cc1nc(=N)n(C)n1O;JWZQALPKLYKXJG-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182674;MM182674;Cn1c(=N)nc(N)n1O;BVFNLOIRJVRMMH-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182675;MM182675;Cc1nc(=O)n(C)n1O;IZOQFANJCJRUEZ-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182676;MM182676;CC(C)C=CCNNC=O;NDVFVOFHPDOHSW-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182677;MM182677;Cc1nc(=N)n(N)n1C;UXYBNKUBVWUIJV-UHFFFAOYSA-N;127.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182678;MM182678;Cn1c(N)nc(=N)n1N;DTBZMWSUTQHSKQ-UHFFFAOYSA-N;128.14;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182679;MM182679;Cc1nc(=O)n(N)n1C;KWPUZMIFTDICFX-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182680;MM182680;NN=C1C=CC(O)(CO)C1;LNBDUHDOSNDACI-UHFFFAOYSA-N;142.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182681;MM182681;Cc1nc(=N)n(N)n1N;NRTQBQCFEQOPJV-UHFFFAOYSA-N;128.14;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182682;MM182682;N=c1nc(N)n(N)n1N;HQENAKKYGCXOEZ-UHFFFAOYSA-N;129.13;-2.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182683;MM182683;Cc1nc(=O)n(N)n1N;ZNDVRWOXLBGREY-UHFFFAOYSA-N;129.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182684;MM182684;CCC(=CC(=O)NN)NC;INYCXHQHWZVHTL-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182685;MM182685;Cc1nc(=N)n(N)n1O;YTSNEYVHWCUCIR-UHFFFAOYSA-N;129.12;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182686;MM182686;N=c1nc(N)n(O)n1N;BEDBVRDPRYZDPJ-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182687;MM182687;CC(O)(C=O)CCN1CC1;MPUAHGOCZKHYMA-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182688;MM182688;C=CC(C)C(C)C(=O)NN;FEGJHQSIVDGRSC-UHFFFAOYSA-N;142.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182689;MM182689;COc1nc(=O)n(O)n1O;MFJGNPLSIXTMHC-UHFFFAOYSA-N;147.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182690;MM182690;Cc1nc(=N)n(O)n1C;SRNUPPMGGNUPNE-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182691;MM182691;Cn1c(N)nc(=N)n1O;BVFNLOIRJVRMMH-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182692;MM182692;Cn1cc(O)c(=O)nc1O;ABOJSJGNIVYOCW-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182693;MM182693;CN=c1[nH]c(=O)nc(N)o1;ANFJFZMNXBHYAN-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182694;MM182694;Cc1oc(F)c(O)c1O;WTSXEZIHMSLANQ-UHFFFAOYSA-N;132.09;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182695;MM182695;Cc1nc(=N)n(O)n1N;SRTFHEYKZYKVGP-UHFFFAOYSA-N;129.12;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182696;MM182696;N=c1nc(N)n(N)n1O;BEDBVRDPRYZDPJ-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182697;MM182697;Cc1nn(C=N)c(=O)n1O;MSSIPQPLIQWNAB-UHFFFAOYSA-N;142.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182698;MM182698;N=c1n(O)ncc(=O)n1O;AOVWYNGRBTUBKU-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182699;MM182699;C#Cc1nnc(O)n1O;QBZCZKXWWDHMBK-UHFFFAOYSA-N;125.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182700;MM182700;Cc1nc(=N)n(O)n1O;REWKBXVYIVHYLX-UHFFFAOYSA-N;130.11;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182701;MM182701;N=c1nc(N)n(O)n1O;DTWXILHCIZBTJR-UHFFFAOYSA-N;131.1;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182702;MM182702;N#CCC(CC#N)=NO;MJJHEHWDIOCBAU-UHFFFAOYSA-N;123.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182703;MM182703;CC#CC(F)C(C)=NO;ATEVIDDBNMGSKR-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182704;MM182704;C=C(C)OC(C#N)C=NO;XRWCZRFAWQGECK-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182705;MM182705;C=C1C(C)=CC(C)C1C;BAJAIBTWWWSHBS-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182706;MM182706;C=C1C(F)=CC(C)C1C;NPICVUFQOIRMKN-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182707;MM182707;C=C1C(C)=CC(N)C1C;AOQXXJNMLPDCBN-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182708;MM182708;C=C1C(F)=CC(N)C1C;WWZKAVYFNJZTNP-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182709;MM182709;CCCC=CCC(=O)NN;SWWWTPCYBXYCIG-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182710;MM182710;C=C1C(F)=CC(O)C1C;OZLRZTXDKKJDBJ-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182711;MM182711;C=C1C(C)=CC(F)C1C;DYDNXZDUHADMJM-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182712;MM182712;C=C1C(F)=CC(F)C1C;QVNXKDQBYIUSOQ-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182713;MM182713;CC1=CC(C)C(C)C1=O;HHBWATWBUAEVNR-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182714;MM182714;CC1C=C(F)C(=O)C1C;QSYINIAQKOGELZ-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182715;MM182715;CC1=CC(O)C(C)C1=O;CFUGYDSQHCOKNG-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182716;MM182716;CC1C(=O)C(F)=CC1O;IKCCLUMXDRTLRU-UHFFFAOYSA-N;130.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182717;MM182717;CC1=CC(F)C(C)C1=O;HVGUGWQRPWXNHM-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182718;MM182718;C=C1C(C)=CC(C)C1N;OGYOYXUUDCFKAO-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182719;MM182719;C=C1C(F)=CC(C)C1N;ZEYLHKNKARIZBO-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182720;MM182720;C=C1C(C)=CC(N)C1N;WPHOCURFRJSDCV-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182721;MM182721;C=C1C(F)=CC(N)C1N;NAFUXAYYIZQICU-UHFFFAOYSA-N;128.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182722;MM182722;C=C1C(C)=CC(O)C1N;OAUIAXOBQWCHFZ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182723;MM182723;C=C1C(F)=CC(O)C1N;HMNOSDCBFSNHPV-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182724;MM182724;C=CC=CC=CC(=O)NN;ZZXDMMOBLSMMQV-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182725;MM182725;C=C1C(F)=CC(C)C1O;OTUOKRWVNAYKBP-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182726;MM182726;C=C1C(F)=CC(N)C1O;IPZWYBAUPQUBLB-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182727;MM182727;C=C1C(C)=CC(O)C1O;ZQTLKPSUODQBNY-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182728;MM182728;C=C1C(F)=CC(O)C1O;LCNQXFZECUQRIC-UHFFFAOYSA-N;130.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182729;MM182729;C=C1C(C)=CC(F)C1O;ASQXTHJVHJAOLO-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182730;MM182730;CC1=CC(C)C(O)C1=O;KBVDUVDLRFERNZ-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182731;MM182731;CC1=CC(O)C(O)C1=O;YIRYSAQXSYVWMR-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182732;MM182732;C=C1C(F)=CC(C)C1F;OIJUKAVQTDZNII-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182733;MM182733;Cc1cn(C)c(C)c1O;MZDRZHJSTVVGOA-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182734;MM182734;C=C1C(C)=NN(C)C1C;GBORWEGLHQAAAX-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182735;MM182735;C#CC(C#C)(C#C)C=NO;OWDAJXMNKFLRBD-UHFFFAOYSA-N;131.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182736;MM182736;CC1=CC(C)N(C)C1=N;DWDIPUBBWJHZLB-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182737;MM182737;CC1=CC(C)N(C)C1=O;HZOJLQKSAVOGAV-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182738;MM182738;CC1=CC(C)N(N)C1=N;NGZXYPVAEVVVCF-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182739;MM182739;C=CCC(CC)C(=O)NN;LJEQUNUBVUEQNR-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182740;MM182740;N=c1c(=O)ccn(O)n1O;LUDBKSYVPMLIPM-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182741;MM182741;Cc1cn(C)n(C)c1=N;GTFOCIIMTMMPJP-UHFFFAOYSA-N;125.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182742;MM182742;Cn1cc(N)c(=N)n1C;UBFGKRLXVGBCBF-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182743;MM182743;Cc1cn(N)n(C)c1=N;XQBHYBPZTZKNGS-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182744;MM182744;Cn1c(=N)c(N)cn1N;YDRHPTAVPWQUGN-UHFFFAOYSA-N;127.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182745;MM182745;Cn1c(=N)c(O)cn1N;XSGWHSXDYNIOAU-UHFFFAOYSA-N;128.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182746;MM182746;Cc1cn(O)n(C)c1=N;BGANVBCZRDORQS-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182747;MM182747;Cn1c(=N)c(O)cn1O;HTUHRGNUECAUMV-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182748;MM182748;N=c1c(F)ccc(F)n1O;IOCMKXXGYBMFSS-UHFFFAOYSA-N;146.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182749;MM182749;Cc1cn(C)n(C)c1=O;ODUOQHAZEKFNNL-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182750;MM182750;Cn1cc(N)c(=O)n1C;TWIQNOGDMNOEGC-UHFFFAOYSA-N;127.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182751;MM182751;Cn1cc(F)c(=O)n1C;PPHVFYSJKJEQJT-UHFFFAOYSA-N;130.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182752;MM182752;Cc1cn(N)n(C)c1=O;MMUJPSJJWLGDOB-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182753;MM182753;Cn1c(=O)c(N)cn1N;SDAZXULYXLWGJJ-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182754;MM182754;Cn1c(=O)c(O)cn1N;LCKLJNYOGANYGX-UHFFFAOYSA-N;129.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182755;MM182755;Cn1c(=O)c(F)cn1N;NZTZRGXATGTLJB-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182756;MM182756;Cc1cn(O)n(C)c1=O;COVUVSCGUYKFHA-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182757;MM182757;Cn1c(=O)c(N)cn1O;KQPSYAYJPJFXBN-UHFFFAOYSA-N;129.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182758;MM182758;Cn1c(=O)c(O)cn1O;KDOLFPKWQPGAAL-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182759;MM182759;Cn1c(=O)c(F)cn1O;QEYJZZRZBUGTBX-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182760;MM182760;Cc1cn(C)n(N)c1=N;NFCTZJAZMMGBTN-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182761;MM182761;Cn1cc(O)c(=N)n1N;IEYHXQWYZRGXLX-UHFFFAOYSA-N;128.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182762;MM182762;Cc1cn(N)n(N)c1=N;BSSMRXNNWUNTJA-UHFFFAOYSA-N;127.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182763;MM182763;N=c1c(O)cn(N)n1N;AABKJNXRSQRYKU-UHFFFAOYSA-N;129.12;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182764;MM182764;N=c1c(F)cn(N)n1N;CWHJAUOANKHJSI-UHFFFAOYSA-N;131.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182765;MM182765;Cc1cn(C)n(N)c1=O;LLRIMLOJASJULD-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182766;MM182766;Cn1cc(N)c(=O)n1N;TXUNYNKRCRYWSL-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182767;MM182767;Cn1cc(O)c(=O)n1N;OKXWZFIWWDJASC-UHFFFAOYSA-N;129.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182768;MM182768;Cn1cc(F)c(=O)n1N;HJWRNYZTKMOYFF-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182769;MM182769;Cc1cn(N)n(N)c1=O;OCKHTZPTGVKXNA-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182770;MM182770;Nc1cn(N)n(N)c1=O;LOIBKEHFMPRFIA-UHFFFAOYSA-N;129.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182771;MM182771;Nn1cc(O)c(=O)n1N;LTFXDSKBUFMSSG-UHFFFAOYSA-N;130.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182772;MM182772;Nn1cc(F)c(=O)n1N;LAWXKIOFWWVKTI-UHFFFAOYSA-N;132.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182773;MM182773;Cc1c(F)cnn(O)c1=N;XAOMVFOTJMFXIB-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182774;MM182774;N=c1c(=O)on(C=O)n1O;XZBDCZSEIIKZAM-UHFFFAOYSA-N;145.07;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182775;MM182775;CN=c1cc(F)cnn1O;ZGQPDWOXAOPQJJ-UHFFFAOYSA-N;143.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182776;MM182776;Cc1cn(C)n(O)c1=N;KJNPXDLGEQNHIB-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182777;MM182777;Cn1cc(O)c(=N)n1O;FZKJTMFWBQLNGZ-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182778;MM182778;NN=CC(O)C(=CF)CF;QYYKKAWZGNWCAK-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182779;MM182779;Cc1cn(N)n(O)c1=N;FRFVGPBFOUOTLZ-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182780;MM182780;NN=c1c(N)cn(O)n1O;ZJKSXYMUDBCNBL-UHFFFAOYSA-N;145.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182781;MM182781;Cc1cn(O)n(O)c1=N;MAJBLIVPTZUKFV-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182782;MM182782;COC=NNC1C(O)C1O;FMAREGGBHCYIQB-UHFFFAOYSA-N;146.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182783;MM182783;CCCC=CCNNC=O;SNEVQCQCTKYKFF-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182784;MM182784;N=c1ncon(O)c1=O;GNYQQPUBIBIPGE-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182785;MM182785;Cn1nc(O)cc1O;XEWKOMSWWONEMR-UHFFFAOYSA-N;114.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182786;MM182786;N=c1[nH]c(=O)n(O)[nH]1;FGSPXVZINORQIB-UHFFFAOYSA-N;116.08;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182787;MM182787;Nn1c(F)c(O)c(=O)n1O;YARFVDXRFWINPN-UHFFFAOYSA-N;149.08;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182788;MM182788;Nn1nnc(=O)c(O)c1O;LEACQKBMLARMAY-UHFFFAOYSA-N;144.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182789;MM182789;C#Cc1cnn(C=N)c1O;XBIIGDCLGIHTDE-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182790;MM182790;CC=NNCC(=O)NOC;VPVOCMUDEFDZBB-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182791;MM182791;Cc1nn(C)n(C)c1=N;CMHMECVETCLNOP-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182792;MM182792;Cn1nc(F)c(=N)n1C;ZJAXQGYGOHMGAB-UHFFFAOYSA-N;130.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182793;MM182793;Cc1nn(C)n(C)c1=O;NZKYMBSJDFSLPH-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182794;MM182794;Cn1nc(F)c(=O)n1C;GEKSJBDHBIXSMW-UHFFFAOYSA-N;131.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182795;MM182795;Cn1nc(F)c(=N)n1N;QQHKJQWWDPBYFG-UHFFFAOYSA-N;131.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182796;MM182796;Cc1nn(C)n(N)c1=O;HJADGAPLFNLKMG-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182797;MM182797;Cn1nc(F)c(=O)n1N;WXLIPISWYMSPQC-UHFFFAOYSA-N;132.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182798;MM182798;CON=CC=CC#CCO;NWXXHJONGYDYJC-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182799;MM182799;N#Cc1cc(=N)c(=O)o[nH]1;MQAHLEAASIZAPK-UHFFFAOYSA-N;137.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182800;MM182800;Cc1nc(=NN)o[nH]1;JWGQXSWLDVNCDP-UHFFFAOYSA-N;114.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182801;MM182801;C=C1C=C(C)C(=C)C1C;CZOQDPGJGAXQTA-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182802;MM182802;C=C1C=C(F)C(=C)C1C;DBUJJIWLNXUGPX-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182803;MM182803;C=C1C(C)=CC(=O)C1C;MONWDHNUHUNCQG-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182804;MM182804;C=C1C(N)=CC(=O)C1C;SSLAPZROEQMZGN-UHFFFAOYSA-N;123.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182805;MM182805;C=C1C(F)=CC(=O)C1C;XBXDUGOQZGNPOL-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182806;MM182806;C=C1C=C(C)C(=O)C1C;MDVOKVMCQPOQHJ-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182807;MM182807;C=C1C=C(F)C(=O)C1C;WRPSMBPNFDVJGO-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182808;MM182808;CC1=CC(=O)C(C)C1=O;TYWKPDQHKMQKTD-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182809;MM182809;CC1C(=O)C=C(N)C1=O;WSRJBVXFAXFFPL-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182810;MM182810;CC1C(=O)C=C(F)C1=O;SBJPDVNMVJZVOZ-UHFFFAOYSA-N;128.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182811;MM182811;C=C1C=C(C)C(=C)C1N;DENJFUCFFAXNFZ-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182812;MM182812;C=C1C=C(F)C(=C)C1N;RUSFLPSFWTVFKO-UHFFFAOYSA-N;125.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182813;MM182813;C=C1C=C(C)C(=C)C1O;RTYXEUQHWGNLOY-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182814;MM182814;C=C1C=C(F)C(=C)C1O;ICLJATOKMDLOON-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182815;MM182815;C=C1C(C)=CC(=O)C1O;WTNIEIKPTSRBDG-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182816;MM182816;C=C1C(N)=CC(=O)C1O;PQFGFLVOENGURE-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182817;MM182817;C=C1C(F)=CC(=O)C1O;BKJYRNZKKBVQHL-UHFFFAOYSA-N;128.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182818;MM182818;C=C1C=C(C)C(=O)C1O;GXMINAWYFRWDRR-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182819;MM182819;C=C1C=C(F)C(=C)C1F;KIXYEUKFJGOAQJ-UHFFFAOYSA-N;128.12;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182820;MM182820;C=C1C(C)=CC(=N)N1C;DWHQMBGKCDUJFR-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182821;MM182821;C=C1C(N)=CC(=N)N1C;VMCAWYLKZKFWPY-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182822;MM182822;C=C1C(C)=CC(=O)N1C;MPGDCWMPLSPHLZ-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182823;MM182823;C=C1C(N)=CC(=O)N1C;LBGSQFSMJKIERX-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182824;MM182824;C=C1C(F)=CC(=O)N1C;SLNXOSXWGPPYPS-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182825;MM182825;C=C1C=C(C)C(=N)N1C;BLZSDASXBKUKQJ-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182826;MM182826;C=C1C=C(F)C(=N)N1C;JVQFXOGOEBUENK-UHFFFAOYSA-N;126.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182827;MM182827;CC1=CC(=N)N(C)C1=N;QOYSRFULOIMXOB-UHFFFAOYSA-N;123.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182828;MM182828;CN1C(=N)C=C(N)C1=N;UHQKDZDVIMZLMJ-UHFFFAOYSA-N;124.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182829;MM182829;CN1C(=N)C=C(F)C1=N;ZQNMTTZXQWOGTR-UHFFFAOYSA-N;127.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182830;MM182830;CC1=CC(=O)N(C)C1=N;ZFRCXTIJPLTRFP-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182831;MM182831;Nc1nc(=O)on1N;CYIOPOFHKINYHA-UHFFFAOYSA-N;116.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182832;MM182832;CN1C(=N)C(F)=CC1=O;NONOUYSHNHPGRW-UHFFFAOYSA-N;128.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182833;MM182833;C=C1C=C(C)C(=O)N1C;NQXGNLUXELJMSA-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182834;MM182834;C=C1C=C(F)C(=O)N1C;BUHXBRBJRCLGDT-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182835;MM182835;CC1=CC(=N)N(C)C1=O;DNYUVWHKUMWAKQ-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182836;MM182836;Nc1cc(C=O)[nH]n1;PCYBYWHIOTVZMR-UHFFFAOYSA-N;111.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182837;MM182837;CN1C(=N)C=C(F)C1=O;VDDDACUQVMADQQ-UHFFFAOYSA-N;128.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182838;MM182838;CC1=CC(=O)N(C)C1=O;HZSAZNPWHKCGKO-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182839;MM182839;CN1C(=O)C=C(N)C1=O;BUHSFNMBRJMUJL-UHFFFAOYSA-N;126.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182840;MM182840;C=C1C(C)=CC(=N)N1N;ZSADBOBFSVMWKB-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182841;MM182841;C=C1C(N)=CC(=N)N1N;QRMNTMCADHRVGG-UHFFFAOYSA-N;124.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182842;MM182842;C=C1C(C)=CC(=O)N1N;HACYHLOFDKELHC-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182843;MM182843;N=CNc1nc[nH]n1;XFEWVMOBRLEUAH-UHFFFAOYSA-N;111.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182844;MM182844;C=C1C(F)=CC(=O)N1N;QCMGCYAMEKXQHP-UHFFFAOYSA-N;128.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182845;MM182845;C=C1C=C(C)C(=N)N1N;QDNXOEZEBAHUTA-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182846;MM182846;C=C1C=C(F)C(=N)N1N;CYESIWFIPBLGCP-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182847;MM182847;N=C1C=C(F)C(=N)N1N;VHANECLDDKVBSX-UHFFFAOYSA-N;128.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182848;MM182848;CC1=CC(=O)N(N)C1=N;FZZVNDHLQUJQOQ-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182849;MM182849;CC1=NN(C)CC1(C)O;QUZBTNRQQUWNGL-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182850;MM182850;N=C1C(F)=CC(=O)N1N;GQFBEJMOQPSJPE-UHFFFAOYSA-N;129.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182851;MM182851;C=C1C=C(C)C(=O)N1N;UNMIHKIJLHVTDD-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182852;MM182852;CC1=CC(=N)N(N)C1=O;NFXJHJXWJMCWHJ-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182853;MM182853;C=C(C)C=CC(=O)NN;NOYOVPAIHPFZEA-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182854;MM182854;CC1=CC(=O)N(N)C1=O;AAFIIRDTRIOOMS-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182855;MM182855;C=NN1CC(O)C(O)C1;VOZSBEGAWSVGMH-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182856;MM182856;CNc1cc(N)c(O)[nH]1;GQZOEQYOPZWSMN-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182857;MM182857;C=C1C(C)=CC(=O)N1O;JNXDQFGKKSJIJR-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182858;MM182858;C=C1C(N)=CC(=O)N1O;HYMQQOAZPLQBOO-UHFFFAOYSA-N;126.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182859;MM182859;CC12CN(N)C(=O)C1O2;BIKIZMUIUFGQDX-UHFFFAOYSA-N;128.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182860;MM182860;C=CC1NC(C#N)C1O;LGYNFFRQXNCFTH-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182861;MM182861;C=C1C=C(C)C(=O)N1O;CPXUPBCKCRTOOV-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182862;MM182862;C=C1C(C)=NC(=N)N1C;KJIHQVFNAOJNKV-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182863;MM182863;C=C1C(C)=NC(=O)N1C;FVAKACORVVVYRE-UHFFFAOYSA-N;124.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182864;MM182864;CC1=NC(=O)N(C)C1=N;QCGKKGPRVYONQV-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182865;MM182865;CC1=NC(=N)N(C)C1=O;DFOBZYFWBJEJGY-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182866;MM182866;CC1=NC(=O)N(C)C1=O;VLSBYOFKSMOUHH-UHFFFAOYSA-N;126.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182867;MM182867;C=C1C(C)=NC(=N)N1N;LVQNXMOBWVNDSO-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182868;MM182868;C=C1C(C)=NC(=O)N1N;RUTLTPLSADWEJL-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182869;MM182869;CC1=NC(=O)N(N)C1=N;LLUUIPDYXXSEJC-UHFFFAOYSA-N;126.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182870;MM182870;CC1=NC(=N)N(N)C1=O;APJCSTFJFYWGSU-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182871;MM182871;CC1=NC(=O)N(N)C1=O;XCXRHTLRZQLCRY-UHFFFAOYSA-N;127.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182872;MM182872;C=NN1CC1C(F)C=O;RZWDJACOBVRICG-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182873;MM182873;C=C1C(C)C=C(C)C1C;YCLAAZDMHSKHCJ-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182874;MM182874;C=C1C(C)C=C(F)C1C;MUQKMCUJTXYFQW-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182875;MM182875;C=C1C(N)C=C(C)C1C;IRPDBSUKAHFTEE-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182876;MM182876;C=C1C(N)C=C(F)C1C;ZSYRIVCVIGGAKG-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182877;MM182877;CC#CC(C)(O)CC=NN;SCCIKWFRQSPPBT-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182878;MM182878;C=C1C(O)C=C(F)C1C;UXXIJAOFHQMYLD-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182879;MM182879;C=C1C(F)C=C(C)C1C;JIEMZZWXJXHQKL-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182880;MM182880;C=C1C(C)C=C(C)C1N;CCXRHRGVJWATTL-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182881;MM182881;C=C1C(N)C=C(C)C1N;GSLSDZLYHOBQOC-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182882;MM182882;C=C1C(N)C=C(F)C1N;SRZYHXLEONXWTO-UHFFFAOYSA-N;128.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182883;MM182883;C=C1C(O)C=C(C)C1N;CTENMCGOLOVJLX-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182884;MM182884;C=C1C(F)C=C(C)C1N;OGAVALZYPKJCJL-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182885;MM182885;C=NOC(C)(OC)C(C)O;CQWQGNDCVJOFNY-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182886;MM182886;C=C1C(N)C=C(C)C1O;AIOKOVLMTDWRGQ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182887;MM182887;C=C1C(O)C=C(C)C1O;JYSJXDBZCVSLMN-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182888;MM182888;C=C1C(F)C=C(C)C1O;VDOHQNMQUMPBMG-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182889;MM182889;CC1=CC(C)C(=O)C1C;CQWOIDPDXGZKKW-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182890;MM182890;CC1=CC(O)C(=O)C1C;KWLSYEMWFNJDBG-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182891;MM182891;CC1=CC(C)C(=O)C1O;SRIDWLUFKJHMBA-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182892;MM182892;CC1=CN(C)C(=N)C1C;SEBJBMNHNUXCIC-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182893;MM182893;CC1C(=N)N(C)C=C1F;PULUHXSZEQCRQF-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182894;MM182894;CC1=CN(N)C(=N)C1C;QKHLRTMVTCRATO-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182895;MM182895;CC1=CN(O)C(=N)C1C;HQLKZDAUHCWHAJ-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182896;MM182896;CCN1CC(C)(O)C(C)=N1;VLQYVEAVKVCBTI-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182897;MM182897;CC1=CN(C)C(=N)C1N;POHGPWGDVHNQLH-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182898;MM182898;CC1=CN(C)C(=O)C1C;ARERKWXWNNMSDR-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182899;MM182899;CC1C(=O)N(C)C=C1F;NHYDWNLKEWZIRG-UHFFFAOYSA-N;129.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182900;MM182900;CC1=CN(N)C(=O)C1C;YPHDGCLCFYGPPT-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182901;MM182901;CC1C(=O)N(N)C=C1F;AXMWGZYPWYATDQ-UHFFFAOYSA-N;130.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182902;MM182902;CC1=CN(O)C(=O)C1C;AUJGLZGLEZIFFH-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182903;MM182903;CC1=CN(C)C(=O)C1O;SBLMADBHQVLAGC-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182904;MM182904;CC(O)C(=O)N(N)C(C)C;BAFYGKOKSVIJFC-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182905;MM182905;CC(O)C(=O)N(C)N(C)C;VMIAOGLXNQDGNH-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182906;MM182906;CC(NC=O)=C(F)C=NN;PFWFPWSNNDGCIM-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182907;MM182907;CC1=CC(C)C(=N)N1C;YRMDFTNSHQTAIM-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182908;MM182908;CC1=CC(N)C(=N)N1C;MHCUNOUCGMXLHN-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182909;MM182909;CC1=CC(O)C(=N)N1C;NYNSOPCGZLHATF-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182910;MM182910;CC1=CC(C)C(=N)N1N;QJNZEGXNNWMEQM-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182911;MM182911;CC1=CC(O)C(=N)N1N;QVFFKXHWGMZDGU-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182912;MM182912;CC1=CC(C)C(=N)N1O;HJDKDTIZKMWRPA-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182913;MM182913;CC1=CC(C)C(=O)N1C;FGPNGHJYPJVKBG-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182914;MM182914;CC1=CC(O)C(=O)N1C;PJDOSUHAEUQBPE-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182915;MM182915;CC1=CC(O)C(=O)N1N;ZODLCADCGBYHSX-UHFFFAOYSA-N;128.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182916;MM182916;CC1=CC(C)C(=O)N1O;SSAITJAOAJHBRJ-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182917;MM182917;C=C1C(C)N=C(C)N1C;WUGFSHRLRPIZQS-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182918;MM182918;CCN(NC)C(=O)C(C)O;MYFRSUZRUTVYIY-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182919;MM182919;C#CCN(N)C(=O)C(C)O;SIGZWRNFOQDWFG-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182920;MM182920;Cc1cn(C)c(=N)n1C;GCUDPKRUBXGAFE-UHFFFAOYSA-N;125.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182921;MM182921;Cn1cc(N)n(C)c1=N;NXQBTRWAXMBWFR-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182922;MM182922;Cn1cc(O)n(C)c1=N;IXFLOUIBPYSJTH-UHFFFAOYSA-N;127.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182923;MM182923;Cn1cc(F)n(C)c1=N;GAOYCSNZIDPTME-UHFFFAOYSA-N;129.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182924;MM182924;Cc1cn(N)c(=N)n1C;QMZPWZLADSRJBC-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182925;MM182925;Cn1c(N)cn(N)c1=N;KXWCSHWCHDEUHG-UHFFFAOYSA-N;127.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182926;MM182926;Cn1c(O)cn(N)c1=N;ALAVGJVQUYJGHS-UHFFFAOYSA-N;128.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182927;MM182927;Cn1c(F)cn(N)c1=N;KNMNKAMIVUPWTK-UHFFFAOYSA-N;130.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182928;MM182928;Cc1cn(O)c(=N)n1C;IAFCWHPSMJZRLI-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182929;MM182929;Cn1c(N)cn(O)c1=N;ZPIHIQGQQHMBJQ-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182930;MM182930;Cc1cn(C)c(=N)n1N;HWGAJZJHWGKMTG-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182931;MM182931;Cn1cc(N)n(N)c1=N;MEUIEYNSAHKOMM-UHFFFAOYSA-N;127.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182932;MM182932;Cn1cc(O)n(N)c1=N;KOYWUHJWTJPGQM-UHFFFAOYSA-N;128.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182933;MM182933;Cn1cc(F)n(N)c1=N;ZHEQUUDOTLAPTR-UHFFFAOYSA-N;130.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182934;MM182934;Cc1cn(N)c(=N)n1N;TWEMMVQUBKIKKV-UHFFFAOYSA-N;127.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182935;MM182935;N=c1n(N)cc(N)n1N;IPLPYNBCSAFBKB-UHFFFAOYSA-N;128.14;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182936;MM182936;N=c1n(N)cc(O)n1N;CUBSHGZREPXYCK-UHFFFAOYSA-N;129.12;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182937;MM182937;Cc1cn(O)c(=N)n1N;JSHZCLKLXWOSAM-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182938;MM182938;N=c1n(O)cc(N)n1N;PSYKBWODZMSWEM-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182939;MM182939;Cc1cn(C)c(=N)n1O;QTGBYOGTZUIWHU-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182940;MM182940;Cn1cc(N)n(O)c1=N;LZJHMTVFIDUSHG-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182941;MM182941;Cc1cn(N)c(=N)n1O;KBHZSWKIUDPNOJ-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182942;MM182942;N=c1n(N)cc(N)n1O;ZRMFKEFECSFBON-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182943;MM182943;C=NOC(CO)(CF)OC;FATVPQVSBQZXGL-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182944;MM182944;Cc1cn(C)c(=O)n1C;XWBBRSVAQJLJGL-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182945;MM182945;Cn1cc(N)n(C)c1=O;BMQSHLJBIRPYPR-UHFFFAOYSA-N;127.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182946;MM182946;Cn1cc(F)n(C)c1=O;VPNNMLGMKUIRAE-UHFFFAOYSA-N;130.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182947;MM182947;Cc1cn(N)c(=O)n1C;ABSQEIJAQYRRHP-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182948;MM182948;Cn1c(N)cn(N)c1=O;JVCQSFFLSBQXRI-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182949;MM182949;Cn1c(F)cn(N)c1=O;VLSKAMOKOVTMKD-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182950;MM182950;Cc1c(N)oc(=O)n1O;VFNGXEMYTLEQKH-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182951;MM182951;Cn1on(O)c(=O)c1=NO;SNVXQPDZRRMDGV-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182952;MM182952;Cc1cn(C)c(=O)n1N;HDTKWZPZNKPKAH-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182953;MM182953;Cn1cc(N)n(N)c1=O;JHRNXWLHRCJMBN-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182954;MM182954;Cn1cc(F)n(N)c1=O;RLWQNSPKWJZURS-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182955;MM182955;Cc1cn(N)c(=O)n1N;DMICIUXUQQZWKR-UHFFFAOYSA-N;128.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182956;MM182956;Nc1cn(N)c(=O)n1N;WDBVXLUHRMPWBR-UHFFFAOYSA-N;129.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182957;MM182957;Nn1cc(F)n(N)c1=O;KEVGISMLRPPAPN-UHFFFAOYSA-N;132.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182958;MM182958;N#CC(C=O)C(=O)C=CN;KNORYKZJQIDCEW-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182959;MM182959;C=NN=c1oc(C)c(O)o1;WIUSPHAATQCPPB-UHFFFAOYSA-N;142.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182960;MM182960;O=Nc1c[nH]c(=O)n1O;GZWALSZFUZXACJ-UHFFFAOYSA-N;129.08;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182961;MM182961;O=CCOCC(C=O)=NO;MINHEHRBHVFBMH-UHFFFAOYSA-N;145.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182962;MM182962;O=c1oc(=NO)n(O)n1O;YQPJJJKPWBWBDW-UHFFFAOYSA-N;149.06;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182963;MM182963;Cn1oc(=O)c(=O)n1O;MXNKECVFOZGBGC-UHFFFAOYSA-N;132.08;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182964;MM182964;CN=c1ncon(O)c1=O;PELHYJKSGIRRNG-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182965;MM182965;CCn1oc(=O)c(=O)n1O;WOIINXKLYLOVPY-UHFFFAOYSA-N;146.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182966;MM182966;Cc1c(O)nn(O)c1C;SFOGTKFFUXWCMR-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182967;MM182967;CC=Cn1cc(O)cn1;FHFVFEKAFWZXKW-UHFFFAOYSA-N;124.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182968;MM182968;Cn1nc(N)n(C)c1=N;NTYGZZWYVNGVAF-UHFFFAOYSA-N;127.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182969;MM182969;Cn1c(N)nn(N)c1=N;LDGFKMUBHFBHBF-UHFFFAOYSA-N;128.14;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182970;MM182970;Cn1c(N)nn(O)c1=N;VOOBIEZYOXQYFH-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182971;MM182971;Cn1nc(N)n(N)c1=N;GUDBAIGCHSLIEU-UHFFFAOYSA-N;128.14;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182972;MM182972;N=c1n(N)nc(N)n1N;MGBSPXLDJHURQK-UHFFFAOYSA-N;129.13;-2.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182973;MM182973;N=c1n(O)nc(N)n1N;ARMRXFCDRRKZFH-UHFFFAOYSA-N;130.11;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182974;MM182974;CC1(CO)NC1C(F)C=O;FBDFWXYKLHLBHH-UHFFFAOYSA-N;147.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182975;MM182975;Cn1nc(N)n(O)c1=N;OJXWIURFXHZJEK-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182976;MM182976;CC1(C#N)NC1C(O)CF;BJCVIGWVDIZXKI-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182977;MM182977;C=CC1(O)COC(=NN)C1;KMSNDJCRVRIKMS-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182978;MM182978;C=Cn1cc(O)cn1;WGPMYDVDMDCSRJ-UHFFFAOYSA-N;110.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182979;MM182979;Cc1nn(C)c(=O)n1C;IUHWJJDJOKMZCJ-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182980;MM182980;Cn1nc(N)n(C)c1=O;MLSCUJYRUOUFIX-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182981;MM182981;C#CC(C#N)(C=NO)CO;ZWNVWILBWGFBAM-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182982;MM182982;Cc1nn(N)c(=O)n1C;XBCXYZZBDFSRCS-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182983;MM182983;Cn1c(N)nn(N)c1=O;HYWVVOXVMWTSJP-UHFFFAOYSA-N;129.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182984;MM182984;N=c1c(=O)n(O)ncn1O;YPVFDPLPKYHEMV-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182985;MM182985;C=COC(C)(C=NO)OC;IRTBJGDEGDGTAG-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182986;MM182986;Nn1ncc(O)c1O;WCZIREFZJPHOEU-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182987;MM182987;Nn1c(O)c(O)c(O)c1F;OMWJEINWRBWZMA-UHFFFAOYSA-N;148.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182988;MM182988;Cc1nn(C)c(=O)n1N;CUTXICQZSYDUMW-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182989;MM182989;C=CC(O)C(=N)N(C)C=O;OZNGDMKGODJHOG-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182990;MM182990;C=Nn1ncc(CC)c1O;FNCMZVZEZVGWNM-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182991;MM182991;Cc1nn(N)c(=O)n1N;PIXZHXFFYQCRBR-UHFFFAOYSA-N;129.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182992;MM182992;C=CC(C)=C(C)C(=O)NN;RPRZZUTUTTWJQD-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182993;MM182993;N=c1c(=O)n(N)[nH]n1N;HNOWKIRVDHVBLN-UHFFFAOYSA-N;130.11;-3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182994;MM182994;N=c1[nH]c(F)co1;FNYUQJUTOXMKDI-UHFFFAOYSA-N;102.07;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182995;MM182995;C=COc1nc(=N)[nH]o1;YYXILKNMXCBKBZ-UHFFFAOYSA-N;127.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182996;MM182996;O=CC(=O)C(C=O)C(F)F;XLSBVFOOSZIGIA-UHFFFAOYSA-N;150.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182997;MM182997;Cc1c(CF)oc(=O)n1O;IQKSHISZEQNOKD-UHFFFAOYSA-N;147.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182998;MM182998;O=c1[nH]nnccc1=NO;YNESEJLMTFIDJQ-UHFFFAOYSA-N;140.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM182999;MM182999;Cn1oc(=N)n(O)c1=O;ZBEFBXIDOHFRBX-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183000;MM183000;C=CC1(OC)CC(=O)NO1;SBLHQEYCGUXOFN-UHFFFAOYSA-N;143.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183001;MM183001;Cn1nnn(O)c1=O;RLPHIXBEEJAZGI-UHFFFAOYSA-N;116.08;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183002;MM183002;O=c1[nH]c(=NO)ncn1O;YIRBYRHXUHXOIU-UHFFFAOYSA-N;144.09;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183003;MM183003;CCn1nnn(O)c1=O;YBRKCRNNBMFUKT-UHFFFAOYSA-N;130.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183004;MM183004;C=NN=c1occ(O)o1;KYMVUIRTFDKFIX-UHFFFAOYSA-N;128.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183005;MM183005;C=C1C=C(C)C(C)C1=C;HVYGYPAFGFBWHR-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183006;MM183006;C=C1C=C(F)C(C)C1=C;XKAGXPQMXVPXOQ-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183007;MM183007;C=C1C(=O)C=C(C)C1C;PDKQKEXZRBXLHA-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183008;MM183008;C=C1C(=O)C=C(N)C1C;HHURITXQKOMCIM-UHFFFAOYSA-N;123.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183009;MM183009;C=C1C(=O)C=C(F)C1C;MWUYBFLGDASUQC-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183010;MM183010;C=C1C=C(C)C(N)C1=C;UFPDNLXGFFFKSP-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183011;MM183011;C=C1C=C(C)C(O)C1=C;NMUJOASYVOEWBQ-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183012;MM183012;C=C1C(=O)C=C(C)C1O;JYSMUVBIFGUDAZ-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183013;MM183013;C=C1C(=O)C=C(N)C1O;ANYFFNGDSKANFM-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183014;MM183014;C=C1C=C(C)C(C)C1=O;LDKUHNXYPDRORS-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183015;MM183015;C=C1C=C(F)C(C)C1=O;MVTWYKSZQWKZNC-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183016;MM183016;CC1=CC(=O)C(=O)C1C;XREXEDUCTIQULO-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183017;MM183017;CC1C(=O)C(=O)C=C1N;WHTGNRUFSYXUIB-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183018;MM183018;CC1C(=O)C(=O)C=C1F;YTGBWNFNZAJPNF-UHFFFAOYSA-N;128.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183019;MM183019;C=C1C=C(C)C(O)C1=O;RJHNNBDBRDNEDS-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183020;MM183020;CC1=CC(=O)C(=O)C1O;MTZQEFFEFJZECH-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183021;MM183021;C=C1C=C(C)N(C)C1=N;MOBTZAOOQPZPRT-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183022;MM183022;CC1=CC(=O)C(=N)N1C;OPXOXZPATDIQDP-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183023;MM183023;CN1C(=N)C(=O)C=C1N;SYKABBJDHAAVRM-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183024;MM183024;C=C1C=C(C)N(N)C1=N;YROPAGGHCCQFRL-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183025;MM183025;CC=CCC(C)NNC=O;SSICXCSRUBTZKV-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183026;MM183026;C=CCCC(C)C(=O)NN;VABBHYBREJXLAF-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183027;MM183027;C=C1C=C(C)N(C)C1=O;NHLVFCKMXIFTCE-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183028;MM183028;CC1=CC(=O)C(=O)N1C;JHSLVKYHXFWLOL-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183029;MM183029;CN1C(=O)C(=O)C=C1N;OZGUDXFNKMSMMN-UHFFFAOYSA-N;126.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183030;MM183030;C=C1C=C(C)N(N)C1=O;LWGHTRJSOMHUDB-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183031;MM183031;C=C1C=C(C)N(O)C1=O;NRHWWMZFQBGNCS-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183032;MM183032;C=C1C(=O)N=C(C)N1C;VTFUBXPTSZIHGE-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183033;MM183033;C=C1C(=N)N=C(C)N1N;STRRFVJUQMEATQ-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183034;MM183034;C=C1C(=O)N=C(C)N1N;UHMFVBCSDOYUMQ-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183035;MM183035;CC=CCC(C)C(=O)NN;YJFOBSCCQANIMZ-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183036;MM183036;C=C1C(=O)N=C(C)N1O;RKGSPGSLBRFLTJ-UHFFFAOYSA-N;126.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183037;MM183037;CC1=NC(=N)C(=N)N1C;ONPFYKLHABOXLM-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183038;MM183038;CC1=NC(=O)C(=N)N1C;NJQQCRMPFHCONK-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183039;MM183039;CC1=NC(=N)C(=N)N1N;CGSGXSUNCAFFDK-UHFFFAOYSA-N;125.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183040;MM183040;CC1=NC(=O)C(=N)N1N;XOYUSHXCFGEOAT-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183041;MM183041;C=CC=C(CC)C(=O)NN;WREXVNLSVOZTQP-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183042;MM183042;CC1=NC(=O)C(=N)N1O;HQYJNELHBRXZEB-UHFFFAOYSA-N;127.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183043;MM183043;CC1=NC(=N)C(=O)N1C;QIERESJBIVQETE-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183044;MM183044;CC1=NC(=O)C(=O)N1C;DWNPGWPADBXINQ-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183045;MM183045;CC1=NC(=N)C(=O)N1N;IDQILXXLVPJZQF-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183046;MM183046;CC1=NC(=O)C(=O)N1N;IGXKQUJKXAIFDP-UHFFFAOYSA-N;127.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183047;MM183047;C=C1C(=C)C(C)C=C1C;AGMNCWDLUXBZBO-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183048;MM183048;C=C1C(=C)C(C)C=C1F;FWLBRZDDXKTZGP-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183049;MM183049;C=C1C(=C)C(N)C=C1C;BGKTUYFUPJXNHS-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183050;MM183050;C=C1C(=C)C(N)C=C1F;ZUJZEEZRRBNNGE-UHFFFAOYSA-N;125.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183051;MM183051;C=C1C(=C)C(O)C=C1C;KUWSDLULRBRBEB-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183052;MM183052;C=C1C(=C)C(O)C=C1F;KZMIPLDGFWPTRH-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183053;MM183053;C=C1C(=C)C(F)C=C1C;AMCWYALHEUYPHE-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183054;MM183054;C=C1C(=C)C(F)C=C1F;NRQFWWRXXSTYMG-UHFFFAOYSA-N;128.12;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183055;MM183055;C=C1C(=O)C(C)=CC1C;OHNGSOBZBAQJDM-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183056;MM183056;C=C1C(=O)C(F)=CC1C;DVJJVLHOGVPJKB-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183057;MM183057;C=C1C(=O)C(C)=CC1O;GGKFCUGHYKTTIP-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183058;MM183058;C=C1C(=O)C(F)=CC1O;RYYKCBJRXJDEEV-UHFFFAOYSA-N;128.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183059;MM183059;C=C1C(=O)C(C)=CC1F;UOGOMUUUYYQINP-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183060;MM183060;C=C1C(=O)C(C)C=C1C;CWLUIFRYWDRTDV-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183061;MM183061;C=C1C(=O)C(O)C=C1C;RODLQMQRYWIZMO-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183062;MM183062;C=C1C(=O)C(O)C=C1F;REHBWEMKSJVXIE-UHFFFAOYSA-N;128.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183063;MM183063;CC1=CC(C)C(=O)C1=O;MIJHQCDCYTTZJR-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183064;MM183064;CC1=CC(O)C(=O)C1=O;IWWBICZSTKRAEU-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183065;MM183065;CC1=CC(F)C(=O)C1=O;FHJBWXOXWMACEJ-UHFFFAOYSA-N;128.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183066;MM183066;C=C1C(=N)N(C)C=C1C;UNDZCSHQBYALNK-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183067;MM183067;C=C1C(=N)N(N)C=C1C;PMARZPRTRSYUKO-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183068;MM183068;CN=c1cc(C)cnn1O;SAYXPVURLBAFHP-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183069;MM183069;CC1=CN(C)C(=N)C1=O;AAQKKDYVVXTTFH-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183070;MM183070;CN1C=C(F)C(=O)C1=N;NVYHSBOXTXVYNC-UHFFFAOYSA-N;128.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183071;MM183071;COc1cnn(O)c(=N)c1;KFLLJYJBZYGULT-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183072;MM183072;N=C1C(=O)C(F)=CN1O;BBMMXDBKVBQSDA-UHFFFAOYSA-N;130.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183073;MM183073;C=C1C(=O)N(C)C=C1C;SPFKMIJENAAIRI-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183074;MM183074;C=C1C(=O)N(C)C=C1F;HVSFRLHMDBELCI-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183075;MM183075;C=C1C(=O)N(N)C=C1C;BPFHIINFCIMMAY-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183076;MM183076;C=C1C(=O)N(N)C=C1F;CIZYNPOMZAHQKH-UHFFFAOYSA-N;128.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183077;MM183077;C=C1C(=O)N(O)C=C1C;IGSWQHQLKHQYBE-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183078;MM183078;CC1=CN(C)C(=O)C1=O;YIEWMHQUDDUUJN-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183079;MM183079;CN1C=C(F)C(=O)C1=O;QRKWGGUUAIEFAV-UHFFFAOYSA-N;129.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183080;MM183080;C=C1C(=N)N(C)N=C1C;XMZJJKHQBRHTOC-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183081;MM183081;CC1=NN(C)C(=N)C1=O;KJAGKAYLNAZFMO-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183082;MM183082;C=C1C(=O)N(C)N=C1C;XBXFTTSMXNTXEA-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183083;MM183083;CC1=NN(C)C(=O)C1=O;RQALBYQIKYNNIU-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183084;MM183084;C=C1C=C(C)C(=C)C1=C;YMWAQTPNUVZIMF-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183085;MM183085;C=C1C=C(F)C(=C)C1=C;DGBDACYGQDHWSG-UHFFFAOYSA-N;122.14;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183086;MM183086;C=C1C(=C)C(C)=CC1=O;GBXDXZOGVGTLOQ-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183087;MM183087;C=C1C(=C)C(N)=CC1=O;UVVZLERDFHRIGJ-UHFFFAOYSA-N;121.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183088;MM183088;C=C1C(=C)C(F)=CC1=O;ZNVUSQFSKMNEKS-UHFFFAOYSA-N;124.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183089;MM183089;C=C1C=C(C)C(=O)C1=C;PIYIJDAGQWGIPZ-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183090;MM183090;C=C1C(=O)C=C(C)C1=O;OHJPHTVFEWREED-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183091;MM183091;C=C1C(=O)C=C(N)C1=O;DFZSYWDZPGHDCI-UHFFFAOYSA-N;123.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183092;MM183092;C=C1C(=O)C=C(F)C1=O;DCKYLTGMAKRIQI-UHFFFAOYSA-N;126.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183093;MM183093;C=C1C=C(C)C(=C)C1=O;IOHKXJCWOVPCSO-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183094;MM183094;C=C1C=C(F)C(=C)C1=O;OWPBTHFCEITCJS-UHFFFAOYSA-N;124.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183095;MM183095;C=C1C(=O)C(=O)C=C1C;HOIRIMRGNLKPHO-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183096;MM183096;C=C1C(=O)C(=O)C=C1N;BHXTUQYTGYCVHT-UHFFFAOYSA-N;123.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183097;MM183097;C=C1C(=O)C(=O)C=C1F;BLSGYPISKJVSER-UHFFFAOYSA-N;126.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183098;MM183098;C=C1C=C(C)C(=O)C1=O;ASZLHUFXUZGGMN-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183099;MM183099;C=C1C=C(F)C(=O)C1=O;FXXHTKDINNAYCP-UHFFFAOYSA-N;126.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183100;MM183100;C=C1C(=C)C(C)=NC1=N;CFZHZWABRIJPEQ-UHFFFAOYSA-N;120.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183101;MM183101;C=C1C(=C)C(C)=NC1=O;FPAPKWUXQBWTNW-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183102;MM183102;C=C1C(=N)N=C(C)C1=O;LEFJIGHYRQIKCG-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183103;MM183103;C=C1C(=O)N=C(C)C1=O;RRBOBJQQDXOAPI-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183104;MM183104;C=C1C(=O)C(=O)N=C1C;FZZNNFDPSHSHEJ-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183105;MM183105;Cc1nc(=N)c(=O)c1=O;DCZWQZMJYOYLMO-UHFFFAOYSA-N;124.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183106;MM183106;Cc1nc(=O)c(=O)c1=O;CCOOWCOTEOIIFE-UHFFFAOYSA-N;125.08;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183107;MM183107;CC1=C(C)C(C)C(C)C1;GOMKODGXJWMJRY-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183108;MM183108;CC1=C(F)CC(C)C1C;YVJSUANCTXYBKA-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183109;MM183109;CC1=C(C)C(C)C(N)C1;NEHAGTJGLWKLAJ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183110;MM183110;CC1=C(F)CC(N)C1C;HIZNNGIIHSCSHU-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183111;MM183111;N=c1cc(C=O)cnn1O;QZLNBPBHMYLZMP-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183112;MM183112;CC1=C(F)CC(O)C1C;POOHLKKMJWCDBM-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183113;MM183113;CC1=C(C)C(C)C(F)C1;XUDGQPHXFMXSOS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183114;MM183114;CC1=C(F)CC(F)C1C;YEHKMMSDHBQRMP-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183115;MM183115;CC1=C(F)C(C)C(C)C1;NADRZFVIHYHRET-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183116;MM183116;CC1=C(F)C(C)C(N)C1;BUURBRQLNVARTP-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183117;MM183117;CC1=C(F)C(C)C(O)C1;IQPNAZGTKHRHQH-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183118;MM183118;CC1=C(C)C(N)C(C)C1;BFPXZYPHTNNXEG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183119;MM183119;CC1=C(F)CC(C)C1N;HCCDILQKDUSKAU-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183120;MM183120;CC1=C(C)C(N)C(N)C1;DAQFIWUBUUGQRH-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183121;MM183121;CC1=C(F)CC(N)C1N;YPETVLCYIUEWIR-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183122;MM183122;CC1=C(C)C(N)C(O)C1;FTHWPXDLWFZVNQ-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183123;MM183123;CC1=C(F)CC(O)C1N;VIWIJQRNKPPRLC-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183124;MM183124;N#Cc1cnn(O)c(=N)c1;UCBSUPSGELFTDH-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183125;MM183125;CC1=C(F)CC(C)C1O;VAXWLNSFMYFINT-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183126;MM183126;CC1=C(C)C(O)C(N)C1;SQYPGMIHPBTSOV-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183127;MM183127;CC1=C(F)CC(N)C1O;KYQFZDIPWGTIHZ-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183128;MM183128;CC1=C(C)C(O)C(O)C1;MKDCTBHBCWMBGN-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183129;MM183129;CC1=C(F)CC(O)C1O;JNDBCXXJTDDMAE-UHFFFAOYSA-N;132.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183130;MM183130;CC1=C(C)C(O)C(F)C1;JHZOEWYZEUSRKY-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183131;MM183131;CC1=C(C)C(F)C(C)C1;MFCLKQUPNOIFKS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183132;MM183132;CC1=C(F)CC(C)C1F;YZBSCBGFRUCCOA-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183133;MM183133;CC1=C(C)C(F)C(N)C1;PBJRNGXDHBUKNX-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183134;MM183134;CC1=C(F)CC(N)C1F;HEPYSWNEVMBBGQ-UHFFFAOYSA-N;133.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183135;MM183135;CC1=C(F)CC(O)C1F;PSXBDUBAXBYCAZ-UHFFFAOYSA-N;134.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183136;MM183136;CC1=C(C)C(C)C(C)O1;SPAKNZLEBBOMNG-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183137;MM183137;CC1=C(C)C(N)C(C)O1;FKDOQTHWTVUZEY-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183138;MM183138;CC1=C(C)C(O)C(C)O1;JSSYSTPVEKRRKM-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183139;MM183139;CC1=C(C)C(C)N(C)C1;JKORLULYYNHTBK-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183140;MM183140;C=C1CC(C)=C(C)C1C;RRGURDCXWHTYIC-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183141;MM183141;C=C1CC(F)=C(C)C1C;ZXLGTTSOHGBRLP-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183142;MM183142;CC1=C(C)C(C)C(=O)C1;VKKMAKIMQPREPJ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183143;MM183143;CC1=C(F)CC(=O)C1C;KEIUSSRQMYMVBM-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183144;MM183144;C=C1CC(C)=C(F)C1C;TZVODEIVRXGECH-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183145;MM183145;C=C1CC(C)=C(C)C1N;YNUPWFKXEKBYBA-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183146;MM183146;C=C1CC(F)=C(C)C1N;BMBZVTDVQNLOBZ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183147;MM183147;C#Cc1cnn(O)c(=N)c1;LSETYYIGHGEEFO-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183148;MM183148;C=C1CC(F)=C(C)C1O;CPWPUFSSOWPFBV-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183149;MM183149;CC1=C(C)C(O)C(=O)C1;DIOSSVZWFVFYMC-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183150;MM183150;CC1=C(F)CC(=O)C1O;XLYBZZCSNLKVFZ-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183151;MM183151;C=C1CC(F)=C(C)C1F;HZCRUGPYIMWJBU-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183152;MM183152;CC1=C(C)C(C)C(=N)N1;UKFBWBGLGZMWLU-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183153;MM183153;CC1=C(C)C(C)C(=O)N1;AYRODXBPMAZJBG-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183154;MM183154;CC1=C(F)C(C)C(=O)N1;PWMNZXLBOCRPIF-UHFFFAOYSA-N;129.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183155;MM183155;CC1=C(C)C(N)C(=N)N1;DKYPHGQSIHWYLT-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183156;MM183156;CC1=C(C)C(O)C(=N)N1;CJXYZXAZZBAPHS-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183157;MM183157;C=C1OC(C)=C(C)C1C;ZVBVKGWLPBPLBN-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183158;MM183158;CC1=C(C)C(C)C(=O)O1;QGYSCHICMUUTLS-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183159;MM183159;C=C1OC(C)=C(F)C1C;BCFFHTYVAAXOTN-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183160;MM183160;CC1=C(F)C(C)C(=O)O1;CECLVCWSBNUPFQ-UHFFFAOYSA-N;130.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183161;MM183161;C=C1OC(C)=C(C)C1N;DTDXXCNWHOFDSJ-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183162;MM183162;C=C1OC(C)=C(C)C1O;VCFMDBZDMBKPGB-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183163;MM183163;CC1=C(C)N(C)C(=N)C1;BYILDDNOJPVXGB-UHFFFAOYSA-N;124.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183164;MM183164;CC1=C(F)CC(=N)N1C;RAVDWUKJFTWTHA-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183165;MM183165;CC1=C(C)N(C)C(=O)C1;GFROOFPAUSKOTH-UHFFFAOYSA-N;125.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183166;MM183166;CC1=C(F)CC(=O)N1C;RJSRKKVNRCECAY-UHFFFAOYSA-N;129.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183167;MM183167;CC1=C(C)N(N)C(=N)C1;XKBNQVOODWUQIA-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183168;MM183168;CC1=C(C)N(N)C(=O)C1;RSGOVSJKQQEISI-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183169;MM183169;CC1=C(F)CC(=O)N1N;RKXGNXHBCXEUMC-UHFFFAOYSA-N;130.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183170;MM183170;CC1=C(C)N(O)C(=N)C1;QNPTXBPCAIMJHO-UHFFFAOYSA-N;126.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183171;MM183171;CC1=C(C)N(O)C(=O)C1;CNCVBEGCDAQLEC-UHFFFAOYSA-N;127.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183172;MM183172;Cc1[nH]c(=N)n(C)c1C;CBCIYKBGCGRWLR-UHFFFAOYSA-N;125.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183173;MM183173;Cc1c(N)[nH]c(=N)n1C;VVORJCGCMYLVQQ-UHFFFAOYSA-N;126.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183174;MM183174;Cc1c(O)[nH]c(=N)n1C;LHPZFPKCIDYHQT-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183175;MM183175;Cc1c(F)[nH]c(=N)n1C;GLFOCZVFMQZVGO-UHFFFAOYSA-N;129.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183176;MM183176;Cc1[nH]c(=O)n(C)c1C;WDRMVOGAURDGDS-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183177;MM183177;Cc1c(N)[nH]c(=O)n1C;WJELXEUMRCARRL-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183178;MM183178;Cc1[nH]c(=N)n(C)c1N;IEOIGEXREXPYEP-UHFFFAOYSA-N;126.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183179;MM183179;Cn1c(N)c(N)[nH]c1=N;YHXSCOUQUFVRFF-UHFFFAOYSA-N;127.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183180;MM183180;Cn1c(N)c(O)[nH]c1=N;FTIOZHSCRBLNQT-UHFFFAOYSA-N;128.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183181;MM183181;Cn1c(N)c(F)[nH]c1=N;ZSUXRUDOQRVGSX-UHFFFAOYSA-N;130.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183182;MM183182;Cc1[nH]c(=O)n(C)c1N;MZDXADHTDMWGMX-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183183;MM183183;Cn1c(N)c(N)[nH]c1=O;YPGONVUQPSXIOZ-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183184;MM183184;Cn1c(N)c(O)[nH]c1=O;DQIPZEXLQFYHFH-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183185;MM183185;Cc1[nH]c(=N)n(C)c1O;NJHZNAAOIUPBMQ-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183186;MM183186;Cn1c(O)c(N)[nH]c1=N;SWUVMIQZDFTQOA-UHFFFAOYSA-N;128.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183187;MM183187;Cn1c(O)c(N)[nH]c1=O;DBOHIWLCUOXVTB-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183188;MM183188;C#CC(F)(F)C(=O)C=NO;SOVRRCGUWMZYNN-UHFFFAOYSA-N;147.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183189;MM183189;O=c1occ(CO)n1O;IGMSXIWCPPXFCT-UHFFFAOYSA-N;131.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183190;MM183190;Cc1[nH]c(=N)n(C)c1F;GKIIAJVDDWDCKV-UHFFFAOYSA-N;129.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183191;MM183191;Cn1c(F)c(N)[nH]c1=N;XMFSYRPKOOMITB-UHFFFAOYSA-N;130.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183192;MM183192;Cc1[nH]c(=O)n(C)c1F;XYQRYUHBYUXQNZ-UHFFFAOYSA-N;130.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183193;MM183193;Cn1c(F)c(N)[nH]c1=O;YPFQVWZDOSAOFI-UHFFFAOYSA-N;131.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183194;MM183194;N#Cc1nc(N=O)c[nH]1;JGYPJAXXAJSDBK-UHFFFAOYSA-N;122.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183195;MM183195;Cn1c(F)c(F)[nH]c1=O;VGKJJPCJLNJKHB-UHFFFAOYSA-N;134.09;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183196;MM183196;Cc1[nH]c(=N)n(N)c1C;WEGLQLDWHJAQKP-UHFFFAOYSA-N;126.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183197;MM183197;Cc1c(N)[nH]c(=N)n1N;MZYATLBCYRZESJ-UHFFFAOYSA-N;127.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183198;MM183198;Cc1c(O)[nH]c(=N)n1N;UVTIDYIWQCPFSV-UHFFFAOYSA-N;128.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183199;MM183199;Cc1[nH]c(=O)n(N)c1C;DESUBKSHBQLOQC-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183200;MM183200;Cc1c(N)[nH]c(=O)n1N;YQSWNHWUJZDAMY-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183201;MM183201;Cc1[nH]c(=N)n(N)c1N;PTJYQJGNNBUXRS-UHFFFAOYSA-N;127.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183202;MM183202;N=c1[nH]c(N)c(N)n1N;XVDODSGVIVATIK-UHFFFAOYSA-N;128.14;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183203;MM183203;N=c1[nH]c(O)c(N)n1N;USLFDFXVPCCXSW-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183204;MM183204;Cc1[nH]c(=O)n(N)c1N;AGSVBGMHBIJTQD-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183205;MM183205;Nc1[nH]c(=O)n(N)c1N;HOKSLLSBGFUQJN-UHFFFAOYSA-N;129.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183206;MM183206;Nc1c(O)[nH]c(=O)n1N;JXJDPVJABQGFNM-UHFFFAOYSA-N;130.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183207;MM183207;Cc1[nH]c(=N)n(N)c1O;AIMCAUKQHXXVFV-UHFFFAOYSA-N;128.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183208;MM183208;N=c1[nH]c(N)c(O)n1N;QYRMWYWSNHBYNR-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183209;MM183209;Nc1[nH]c(=O)n(N)c1O;SDGGQTRALWVQKU-UHFFFAOYSA-N;130.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183210;MM183210;CON=c1oc(C)c(O)o1;CKBWILQLXQBKIQ-UHFFFAOYSA-N;145.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183211;MM183211;O=CC(F)=C(F)C=NO;ZCPOIQBVZSIXSJ-UHFFFAOYSA-N;135.07;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183212;MM183212;Cc1[nH]c(=N)n(N)c1F;BFNLLUTZPDCUNB-UHFFFAOYSA-N;130.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183213;MM183213;N=c1[nH]c(N)c(F)n1N;NIHMGSSGEYVDIC-UHFFFAOYSA-N;131.11;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183214;MM183214;Cc1[nH]c(=O)n(N)c1F;XOESXPUXKUDLEZ-UHFFFAOYSA-N;131.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183215;MM183215;Nc1[nH]c(=O)n(N)c1F;ANSGBXAKJILLST-UHFFFAOYSA-N;132.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183216;MM183216;N#CCCOC(CF)=NO;CEMCKCDQTLPNTK-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183217;MM183217;CC#Cc1nnc(O)n1O;HAVHXZSHBFFIRA-UHFFFAOYSA-N;139.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183218;MM183218;Cc1[nH]c(=N)n(O)c1C;ORISJZNNUOVESI-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183219;MM183219;Cc1c(N)[nH]c(=N)n1O;ZYQJNSGHNOINJU-UHFFFAOYSA-N;128.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183220;MM183220;C=CC(F)=CC(CF)=NO;PZGHKLZTUQGGPG-UHFFFAOYSA-N;147.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183221;MM183221;CCONC(=O)C=NN;JBTDBGAQWOOIPK-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183222;MM183222;Cc1[nH]c(=N)n(O)c1N;SPRQWZMZDGELDR-UHFFFAOYSA-N;128.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183223;MM183223;N=c1[nH]c(N)c(N)n1O;BFDLTXQUMURKMD-UHFFFAOYSA-N;129.12;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183224;MM183224;COCC(F)(C=NO)CO;WHKSAJRLTMUKKK-UHFFFAOYSA-N;151.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183225;MM183225;CCN=c1nc(O)n(C)o1;NNMBTPAXPPBADV-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183226;MM183226;C=COc1ncc(F)[nH]1;INUBZMJYDDHVMA-UHFFFAOYSA-N;128.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183227;MM183227;C#Cc1n[nH]c(O)c1N;ZZNZNIUSJLQQPS-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183228;MM183228;Cn1cc(F)c(=N)nc1O;UEOOHYFUDJATBV-UHFFFAOYSA-N;143.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183229;MM183229;N=c1n(C=O)nc(O)n1N;OGESCVDTQYPOJF-UHFFFAOYSA-N;143.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183230;MM183230;N=c1[nH]oc(=O)c(=NO)o1;VODUGMXOSQLGFW-UHFFFAOYSA-N;145.07;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183231;MM183231;C=CCc1nc(=N)o[nH]1;OFAMGKOGSAJZTK-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183232;MM183232;Cc1oc(=N)n(C)c1C;PNIKPRCHMLZQMD-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183233;MM183233;Cc1c(N)oc(=N)n1C;QQCUROQTESOGML-UHFFFAOYSA-N;127.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183234;MM183234;Cc1oc(=O)n(C)c1C;RPAASNWVRKKJHA-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183235;MM183235;Cc1c(N)oc(=O)n1C;NUEZDPKVLOREGH-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183236;MM183236;N=c1nc(OC=CF)o[nH]1;CGHSTMYZALZCGQ-UHFFFAOYSA-N;145.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183237;MM183237;Cc1c(F)oc(=O)n1C;SPNZXOVLHSFVEC-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183238;MM183238;Cc1oc(=N)n(C)c1N;AJFMTVGNXQSSAS-UHFFFAOYSA-N;127.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183239;MM183239;Cn1c(N)c(N)oc1=N;QCJNCLFELFKCAG-UHFFFAOYSA-N;128.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183240;MM183240;Cn1c(N)c(O)oc1=N;QIPVTAIDQHBFRT-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183241;MM183241;Cc1oc(=O)n(C)c1N;ILPKPZNJURNXSG-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183242;MM183242;Cn1c(N)c(N)oc1=O;QBJFPCCGSUMIRX-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183243;MM183243;Cn1c(N)c(F)oc1=O;QXKLTVKEBKABJQ-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183244;MM183244;C=C(C)Oc1nc(=N)[nH]o1;PTNIWRPZPVUUSX-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183245;MM183245;CC=COc1nc(=N)[nH]o1;JPEDLYMYWSGARA-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183246;MM183246;C=CCC(=O)NC(=O)C#N;MJHFMAHNBMYTPA-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183247;MM183247;O=Cn1ncn(O)c1=O;YNEIGMLZSDHUQR-UHFFFAOYSA-N;129.08;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183248;MM183248;Cc1oc(=N)n(C)c1F;OWKDDWMJXZFBDQ-UHFFFAOYSA-N;130.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183249;MM183249;CCCc1c[nH]c(CF)n1;CVGVBUBRJYPBDR-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183250;MM183250;O=c1cc(F)c(=O)n(O)o1;KWVUAOQSPUIURR-UHFFFAOYSA-N;147.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183251;MM183251;Cn1c(F)c(F)oc1=N;GHEMUGYSFAVETC-UHFFFAOYSA-N;134.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183252;MM183252;Cc1oc(=O)n(C)c1F;JFCIZVCRVOEZAJ-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183253;MM183253;Cn1c(F)c(N)oc1=O;QZTFOHPQSRXLFU-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183254;MM183254;Cn1nnc(=O)c(=O)n1O;STHRMWIYEFUFKZ-UHFFFAOYSA-N;144.09;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183255;MM183255;Cn1c(F)c(F)oc1=O;FVTBZBLKIQTFMB-UHFFFAOYSA-N;135.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183256;MM183256;Cc1c(F)oc(=N)n1N;ISWLNEMYNJTOTP-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183257;MM183257;Cc1oc(=O)n(N)c1C;YLBUUSUNXUXYIA-UHFFFAOYSA-N;128.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183258;MM183258;NN=CC1=CC=C(CO)C1;VXGZGZQHUCAYTA-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183259;MM183259;CC(=O)n1ncn(O)c1=O;URJAEBJJPMAVAV-UHFFFAOYSA-N;143.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183260;MM183260;Cc1c(F)oc(=O)n1N;AGYHQLZSAIJQIP-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183261;MM183261;Cc1oc(=N)n(N)c1N;BUJKMVLDDKNCRV-UHFFFAOYSA-N;128.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183262;MM183262;N=c1oc(N)c(N)n1N;IKUADUIKSLEYMW-UHFFFAOYSA-N;129.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183263;MM183263;Cc1oc(=O)n(N)c1N;IMBQIZUPDWJMSB-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183264;MM183264;N=c1cnn2c(n1)C(O)C2;JMMOZHAMJVVCSX-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183265;MM183265;Cc1c(O)on(O)c1=O;KCCYISSOWZSZOF-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183266;MM183266;C#CC(O)C1CC1C=NN;ZWAQQZAUUAKLSS-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183267;MM183267;NN=CC(O)CO;YDGNXAFVYUQOEM-UHFFFAOYSA-N;104.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183268;MM183268;O=c1cc(O)on1O;YXNVHHIQCJHNOC-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183269;MM183269;O=c1ccon(O)c1=O;PCOCRYLUAXDWKV-UHFFFAOYSA-N;129.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183270;MM183270;COc1nn(C)c(=O)n1O;ANDZVIQAFMVXPF-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183271;MM183271;CCn1oc(=N)n(O)c1=O;BXPBHNXTABFDIR-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183272;MM183272;Cc1oc(=N)n(N)c1F;CDBFEKGQTXAKAS-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183273;MM183273;CC1=NNCC1(C)O;LAUNIKNFCLQCBF-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183274;MM183274;CCN=c1o[nH]c(=O)n1O;UNHYDFWIXBFEIJ-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183275;MM183275;N=c1oc(F)c(F)n1N;YDNQFOZUAGQPTO-UHFFFAOYSA-N;135.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183276;MM183276;Cc1oc(=O)n(N)c1F;JTMFOJYWUXSGGI-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183277;MM183277;OC1C(F)C1N1CC1;AUDZETZFOIJNCT-UHFFFAOYSA-N;117.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183278;MM183278;O=c1ncn(O)n(O)c1=O;HWKZWWBHDHPPOM-UHFFFAOYSA-N;145.07;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183279;MM183279;Nn1c(F)c(F)oc1=O;GMMFEKIVKLOZQU-UHFFFAOYSA-N;136.06;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183280;MM183280;CN(C)N=CC(O)CO;OZJICBIUTNQCRG-UHFFFAOYSA-N;132.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183281;MM183281;NN=CC(O)COC=O;VBGXBFFQTCYZCL-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183282;MM183282;CC(O)C(=O)N(C)C=N;GXZVVRQLBXYDQB-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183283;MM183283;N#Cc1ccc(O)o1;SPFNQCYWRLZPLN-UHFFFAOYSA-N;109.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183284;MM183284;CON=c1occ(O)o1;IGKVCPSCGYVLLQ-UHFFFAOYSA-N;131.09;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183285;MM183285;N=c1nc(N)oc(=O)[nH]1;JBMHNYRWHWJGLD-UHFFFAOYSA-N;128.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183286;MM183286;N#CC#Cc1nn[nH]n1;MOSXKNFLEYFZKM-UHFFFAOYSA-N;119.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183287;MM183287;CCNN=CC(O)CO;ZRSQPCSQIRNAND-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183288;MM183288;ON=C(C#CC=CF)CF;JHROMTOOYIPTMN-UHFFFAOYSA-N;145.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183289;MM183289;C=CC#CC(F)C(C)=NO;ZKLJLVYYPDJGED-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183290;MM183290;CNN=CC(=O)NOC;IEPWBOSZPWVOKG-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183291;MM183291;Cn1ncc(F)c1O;PXNLJATYTNGZFF-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183292;MM183292;N=c1oc(N)c(O)n1O;XGIMJRWRAVTMND-UHFFFAOYSA-N;131.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183293;MM183293;Nn1c(=O)nnn(O)c1=O;LVBSXZBIGNMIGQ-UHFFFAOYSA-N;145.08;-3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183294;MM183294;CNn1ncc(O)c1O;WXZQVBWODYWRGH-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183295;MM183295;Nn1nc(O)[nH]c1=NO;CKJRPRFRPYLFLN-UHFFFAOYSA-N;131.1;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183296;MM183296;C=NOC(C=NO)C(N)=O;OQHXJIOQUOQOON-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183297;MM183297;CN=c1[nH]c(O)nn1O;MGBXTUNHADXKRX-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183298;MM183298;CC(F)(F)C(=O)C(F)C=O;SUPBYPUHHMUHJX-UHFFFAOYSA-N;154.09;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183299;MM183299;N=c1c(N)cn(O)n1O;VOMTYOOOCFRLAR-UHFFFAOYSA-N;130.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183300;MM183300;Cc1nc(CO)nn1C;QUQUDZIUFMJGGI-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183301;MM183301;C#Cc1cn(O)c(=O)o1;QQZFGDLCRFROMA-UHFFFAOYSA-N;125.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183302;MM183302;N#CC1NC1C(O)CF;ODDJEUHLGJTDIB-UHFFFAOYSA-N;130.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183303;MM183303;Cn1c(=O)n(O)c(=O)n1C;GFLYWUKPIMUGHO-UHFFFAOYSA-N;145.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183304;MM183304;Nc1on(O)c(=O)c1F;XAALDRQZQSVKSX-UHFFFAOYSA-N;134.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183305;MM183305;O=c1cc(O)oc(CF)c1;WEWRWYCSKNTFMH-UHFFFAOYSA-N;144.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183306;MM183306;Cc1cc(=O)c(=O)n(O)o1;HHAACINJKWCNLE-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183307;MM183307;C=C1C(C)=C(C)CC1C;XXOJSOJWCIKACW-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183308;MM183308;C=C1C(C)=C(F)CC1C;BXEFYMJTIGUVES-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183309;MM183309;C=C1C(C)=C(C)CC1N;GPBZUWCVFUTDJS-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183310;MM183310;C=C1C(C)=C(F)CC1N;SUDWXZWAHQCUBO-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183311;MM183311;C=C(F)C(O)CC(C)=NN;HBSZHNLBWGPGJN-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183312;MM183312;C=C1C(C)=C(F)CC1O;ZJFSAUBYPLKAQH-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183313;MM183313;C=C1C(C)=C(C)CC1F;SWWJWRNADLVGST-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183314;MM183314;C=C1C(F)=C(C)CC1C;FCZSMTZSNOEXTH-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183315;MM183315;C=C1C(F)=C(C)CC1N;BFOLGJMXGJAMMN-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183316;MM183316;C=C1C(F)=C(C)CC1O;NMEWKJFMXPNLPJ-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183317;MM183317;C=C1C(F)=C(C)CC1F;OWSZSXMQZGJJSO-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183318;MM183318;CC1=C(C)C(=O)C(C)C1;HNZWNWPTJZTRTK-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183319;MM183319;CC1=C(N)CC(C)C1=O;WXXGJIXGBATFKN-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183320;MM183320;CC1=C(F)CC(C)C1=O;CWOLUUJWKXNYGO-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183321;MM183321;CC1=C(C)C(=O)C(O)C1;GOTCNQYWFYTGJN-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183322;MM183322;CC1=C(N)CC(O)C1=O;JNUOPPJIYIRTPU-UHFFFAOYSA-N;127.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183323;MM183323;CC1=C(F)CC(O)C1=O;CZOBVNCAUOIQCL-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183324;MM183324;Cc1[nH]c(C)c(O)c1C;PHCFLCIPYCODIM-UHFFFAOYSA-N;125.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183325;MM183325;CC(=O)OCC(O)C=NN;KMFYIQRPTJPLRT-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183326;MM183326;Cc1[nH]c(C)c(F)c1O;PKNJVZMDGFJLNU-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183327;MM183327;Cc1[nH]c(N)c(F)c1O;LRBZKLUDXMZQIP-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183328;MM183328;C=C1C(C)=C(C)OC1C;UDUBETIGRSBPBH-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183329;MM183329;CC1=C(C)C(=N)N(C)C1;CHGFXJSTIYIANY-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183330;MM183330;CC1=C(N)CN(C)C1=N;GLWXMJPHSVFHQQ-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183331;MM183331;CC1=C(F)CN(C)C1=N;ZPFZPTSEOPPBPA-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183332;MM183332;CC1=C(C)C(=N)N(N)C1;KKXISFHZNRQUJF-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183333;MM183333;CC1=C(N)CN(N)C1=N;RVTITWSLHUBYOK-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183334;MM183334;CC(=N)N(C)C(=O)C(C)O;FFEUGOBLKMGWEC-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183335;MM183335;C#CC(=O)NC(C)C=NN;IWJUACRKOHGFLO-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183336;MM183336;C=C(C)C=C(C)C(=O)NN;BUVOBJSKJFGHNZ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183337;MM183337;C=NOC(COC)C(N)=O;JIXDNKJKFKMUBD-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183338;MM183338;CC1=C(C)C(=O)N(C)C1;MVVYTCZLLDNWLH-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183339;MM183339;CC1=C(N)CN(C)C1=O;UICLQHCFXKCOKM-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183340;MM183340;CC1=C(F)CN(C)C1=O;OMBRFWKPGRYZAU-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183341;MM183341;C=NNC1=CC(=O)C(=O)C1;UIWBISFKAFPXPS-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183342;MM183342;CC#Cc1nc(C)c(C)[nH]1;QHHLYJRTMPBKAU-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183343;MM183343;Cc1nc(=N)cc(F)n1O;KUAGQIPDTHGCGE-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183344;MM183344;CC1=C(C)C(=O)N(O)C1;LNEOMNSCIWKLNB-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183345;MM183345;CC1=C(F)C(=O)N(C)C1;PWUZRQHEKQDXOD-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183346;MM183346;COc1cc(=O)n(O)nn1;BMGVCLNIMPPZBJ-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183347;MM183347;Cc1c(N)[nH]n(C)c1=O;RHTNRWJKROQMNM-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183348;MM183348;Nc1nc(=O)c(=O)cn[nH]1;FEKBGSWBEVQGMT-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183349;MM183349;COC1ONC(=O)C1C;NKXWSYJQMGFZTB-UHFFFAOYSA-N;131.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183350;MM183350;O=Cc1nc(O)no1;NCWGKOIPQDSUPT-UHFFFAOYSA-N;114.06;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183351;MM183351;O=Cc1coc(F)c1O;AQJIYYRBFNVIDQ-UHFFFAOYSA-N;130.07;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183352;MM183352;Oc1coc(O)c1F;LQJLUPRQENVQAL-UHFFFAOYSA-N;118.06;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183353;MM183353;NN=c1ncon(O)c1=O;XYRKRBLRPJEESD-UHFFFAOYSA-N;144.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183354;MM183354;C#Cc1occ(F)c1O;QNTDCYZCYQWPIV-UHFFFAOYSA-N;126.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183355;MM183355;N#CC(C#CCCO)=NO;YENHOCZQYCSGDQ-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183356;MM183356;Cn1[nH]c(N)c(N)c1=O;BZAWDUUAYRTHAU-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183357;MM183357;CC(=O)C(=NO)C(C)(C)O;IXCPGLQVJGJBAE-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183358;MM183358;N#CC#CCC(F)C=NO;XFHRPOYGFMAYMM-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183359;MM183359;Nc1c(NO)noc1O;ZWINMMFILCSOBH-UHFFFAOYSA-N;131.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183360;MM183360;Nc1nc(=O)[nH]c(=O)n1O;NEUQKNUNNFSBQE-UHFFFAOYSA-N;144.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183361;MM183361;N=c1c(=O)n(O)cnn1N;SMSLIVSUZAPMSO-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183362;MM183362;CNN=COC(CF)=NO;OJYPOWBJEURSHM-UHFFFAOYSA-N;149.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183363;MM183363;Nn1oc(=O)[nH]c1=O;HHRCPYHLHCJWHK-UHFFFAOYSA-N;117.06;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183364;MM183364;Nn1c(O)c(F)c(O)c1F;MGDYMQQQPRDHRI-UHFFFAOYSA-N;150.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183365;MM183365;Nc1c(F)c(=O)[nH]n1N;FVVLRNLISDLTFX-UHFFFAOYSA-N;132.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183366;MM183366;NN=c1ccn(O)c(O)n1;SNFHUPMOLAZYGD-UHFFFAOYSA-N;142.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183367;MM183367;N=c1nc(O)c(O)nn1O;JASBPXLEVWYERY-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183368;MM183368;N=c1nc(O)[nH]n(O)c1=N;DVPBGPOFGNJXRQ-UHFFFAOYSA-N;143.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183369;MM183369;C=CC#CC(=O)C(F)C=O;UBRUHECDIQTYEW-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183370;MM183370;O=c1ncc(F)cn1O;GOUCFKGCJIHVQO-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183371;MM183371;N#CC(=NO)N(O)C=O;VCPGZNJPLWNUPC-UHFFFAOYSA-N;129.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183372;MM183372;N#CC1=CC(=O)N(O)C1;XIHGQKTXWWQXQB-UHFFFAOYSA-N;124.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183373;MM183373;Cc1c(O)c(F)c(F)n1O;OMKPNNNUVIESAJ-UHFFFAOYSA-N;149.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183374;MM183374;CN=c1on(C)c(=O)n1O;OYIMBYNDBYFKNE-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183375;MM183375;O=c1ccn(O)c(O)c1F;BASMWUQGJWQJQD-UHFFFAOYSA-N;145.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183376;MM183376;Cc1c(C=O)oc(F)c1O;PFJNIHJDNIFKKX-UHFFFAOYSA-N;144.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183377;MM183377;C=C(F)C(F)C(=NO)NO;ITGJYJNMXHLNGY-UHFFFAOYSA-N;152.1;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183378;MM183378;COc1nn[nH]n1;ZWFJRXDXXCBOAC-UHFFFAOYSA-N;100.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183379;MM183379;C#CC(F)=C(F)C=NO;PLPWAMRKOHYOEH-UHFFFAOYSA-N;131.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183380;MM183380;Cc1nnn(O)c1F;CTWDKQRKQNSZMF-UHFFFAOYSA-N;117.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183381;MM183381;C#CC=COC(CF)=NO;FHPVDRXKJLJKTJ-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183382;MM183382;O=CC(=NO)C(O)CCO;POJXHNVPMDKJJJ-UHFFFAOYSA-N;147.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183383;MM183383;CN(C)n1oc(=O)[nH]c1=O;ROSHONOJFMONOZ-UHFFFAOYSA-N;145.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183384;MM183384;Cn1oc(=O)n(O)c1=N;LMJLFVXOKKZUAS-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183385;MM183385;Cc1on(C)c(=N)c1C;XXJFVNHSXBDUCG-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183386;MM183386;Cc1c(N)on(C)c1=N;FKVZTGXYBNHDKD-UHFFFAOYSA-N;127.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183387;MM183387;CN(C=N)N=CC(O)CO;WDAWPJLNWPKNSN-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183388;MM183388;Cn1oc(F)c(N)c1=N;PTYWBKOSSSAWCH-UHFFFAOYSA-N;131.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183389;MM183389;Cc1on(N)c(=N)c1N;URDRGJRJVFVLGX-UHFFFAOYSA-N;128.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183390;MM183390;C=CC(C)C(=C)C(=O)NN;QYFWEKKZBVAGSL-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183391;MM183391;N=c1c(N)c(F)on1N;QMQSMHLPQUELFM-UHFFFAOYSA-N;132.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183392;MM183392;CNN=CC(O)COC=O;AMJWJCSPOMIEGI-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183393;MM183393;CCCNN=CC(O)CO;CLQYVPADMZHCMJ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183394;MM183394;C=CCNN=CC(O)CO;MGVCCXDYTIVQQY-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183395;MM183395;Cc1on(C)c(=N)c1F;YWYBWVMZLPDKHD-UHFFFAOYSA-N;130.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183396;MM183396;C=CCC(=CC)C(=O)NN;GQMMEYJHELLWKK-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183397;MM183397;CCn1oc(=O)n(O)c1=N;IPUNKPKARNKRIX-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183398;MM183398;Cn1oc(F)c(F)c1=N;YMTNKHLIWJEUMX-UHFFFAOYSA-N;134.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183399;MM183399;Cc1on(N)c(=N)c1F;MUZSDSQUMWHQRX-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183400;MM183400;CON=CC(=CN)NC=O;XEINXMXZPNXTQY-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183401;MM183401;N=c1c(F)c(F)on1N;QMJHCZHQJJPQBA-UHFFFAOYSA-N;135.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183402;MM183402;CN=C(NNC=O)C(C)=O;MIVORXPVVPHXSV-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183403;MM183403;Cn1c(=N)c(F)c(F)n1O;SVECSFZGMZOQOL-UHFFFAOYSA-N;149.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183404;MM183404;C=C(F)CC(CF)=NO;PEHYXZCFCBHVQP-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183405;MM183405;C#Cc1nc(=O)n(N)n1O;BBCGREZEBSSRHV-UHFFFAOYSA-N;140.1;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183406;MM183406;Cc1on(C)c(=O)c1C;OUOWGXOKJZRCFW-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183407;MM183407;Cc1c(N)on(C)c1=O;KTERTETVIZUOCK-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183408;MM183408;Cc1c(F)on(C)c1=O;XFTHZQZRWRDTAW-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183409;MM183409;Cc1on(N)c(=O)c1C;WEJCLNHJWDBPSI-UHFFFAOYSA-N;128.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183410;MM183410;CNc1cn(O)n(O)c1=N;NGVPHORYWWELRE-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183411;MM183411;Cc1c(F)on(N)c1=O;WMESWFWGUTUZEI-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183412;MM183412;CC(=O)OCC(CO)=NO;HIFFIPNJSJITOQ-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183413;MM183413;C#CCC(CF)=NO;AGVHAGDDMLIQBO-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183414;MM183414;Cn1nc(C=O)cc1O;VEBLUPXOKQCNJU-UHFFFAOYSA-N;126.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183415;MM183415;Nc1c(CO)n[nH]c1O;DKSYOBOCKZSCNZ-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183416;MM183416;Cc1on(C)c(=O)c1N;XNOQBSZMUYOTKV-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183417;MM183417;N#Cc1cn(O)n(O)c1=N;UYFYTPOVIASYIV-UHFFFAOYSA-N;140.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183418;MM183418;Cn1oc(O)c(N)c1=O;YNARKVAQIPZCAO-UHFFFAOYSA-N;130.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183419;MM183419;Cn1oc(F)c(N)c1=O;CDKGAZXGHAIWAL-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183420;MM183420;Cc1on(N)c(=O)c1N;UCRHTRBUFAQMCU-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183421;MM183421;COc1c[nH]c(C(C)C)n1;VRUZPNQTSOZYDO-UHFFFAOYSA-N;140.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183422;MM183422;Nc1c(F)on(N)c1=O;BOEYUDJEUVPZFQ-UHFFFAOYSA-N;133.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183423;MM183423;N#CC#Cc1cc(O)n[nH]1;SCFBFHXVACRVQD-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183424;MM183424;Nn1cc(O)c(F)c1F;HVOANQBXPIVMSD-UHFFFAOYSA-N;134.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183425;MM183425;CNn1oc(=O)[nH]c1=O;LFUYXEJDXAWZQY-UHFFFAOYSA-N;131.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183426;MM183426;N=c1[nH]c(O)c(O)c(=O)o1;JKRBOUIFOLVLIH-UHFFFAOYSA-N;144.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183427;MM183427;Cn1oc(N)c(O)c1=O;IEEMTIPSGKTSTP-UHFFFAOYSA-N;130.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183428;MM183428;C=CCc1nc(=NC)o[nH]1;HXPXNNFEQUJFFP-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183429;MM183429;N=c1nc(OC=NO)o[nH]1;FNUKDAIOIYOJHK-UHFFFAOYSA-N;144.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183430;MM183430;N=c1nc(OC=NN)o[nH]1;XDNSLGIZORLBFR-UHFFFAOYSA-N;143.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183431;MM183431;Cc1oc(=O)[nH]c1O;BEUYUGBHBAHDIP-UHFFFAOYSA-N;115.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183432;MM183432;C#CC1CC(C=O)C1=O;XHHBPZKUPGBTSX-UHFFFAOYSA-N;122.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183433;MM183433;Cc1nc(=O)n(O)cc1F;HWQYMYUOYNILRJ-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183434;MM183434;CCc1oc(=NO)oc1O;OPHUKFZDBPGRER-UHFFFAOYSA-N;145.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183435;MM183435;Nc1nnoc(=NO)c1O;RDMXIFNLSVNQSU-UHFFFAOYSA-N;144.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183436;MM183436;Cc1on(C)c(=O)c1F;LUILRUFFUFNABB-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183437;MM183437;Cn1oc(N)c(F)c1=O;CZXGREXODHQBEK-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183438;MM183438;O=c1c(F)c(O)n(O)n1O;CKNJEDBKQKMWKV-UHFFFAOYSA-N;150.07;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183439;MM183439;Cn1oc(F)c(F)c1=O;FYTSUNKRPAFGNX-UHFFFAOYSA-N;135.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183440;MM183440;Cc1on(N)c(=O)c1F;DBHBVDPCUNJCKA-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183441;MM183441;Cc1cn(O)n(O)c1=NN;VEWKNWBOIWOUFJ-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183442;MM183442;O=CC(=O)CC(=O)CO;VAUXIKUUKLFSEZ-UHFFFAOYSA-N;130.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183443;MM183443;Nn1oc(F)c(F)c1=O;DACJQXDDZRQINQ-UHFFFAOYSA-N;136.06;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183444;MM183444;COc1cc(=O)n(C)[nH]1;MXPQJWBIPWTXOM-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183445;MM183445;Nn1nc(CO)n(O)c1=O;PSSZHACSOBGOFI-UHFFFAOYSA-N;146.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183446;MM183446;CC1OC1CC(C#N)=NO;HQABOJXDPXNMFW-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183447;MM183447;C=Cc1noc(O)c1N;HYFJUKKNIZBVOU-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183448;MM183448;C=C1CC(C)=C(C)C1=C;OTGPDNHUAVECGZ-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183449;MM183449;C=C1CC(F)=C(C)C1=C;ZBOHWVLOBKBKNT-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183450;MM183450;C=C1C(=O)CC(C)=C1C;KXAVDFKWPWKYMU-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183451;MM183451;C=C1C(=O)CC(F)=C1C;LEMZFLGPJKQOLS-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183452;MM183452;C=C1CC(C)=C(F)C1=C;IVSDPMPLXNPUGC-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183453;MM183453;C=C1C(=O)CC(C)=C1F;DASFTNXVYPSROC-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183454;MM183454;C=C1CC(C)=C(C)C1=O;YDXIEAHUYZKJOH-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183455;MM183455;C=C1CC(N)=C(C)C1=O;FMUZFNJHUQUIBP-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183456;MM183456;C=C1CC(F)=C(C)C1=O;KLMGAZGRRVKPCX-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183457;MM183457;CC1=C(C)C(=O)C(=O)C1;HQUJJLJGKDIAAE-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183458;MM183458;CC1=C(N)CC(=O)C1=O;RKIIUNKUFMLHAD-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183459;MM183459;CC1=C(F)CC(=O)C1=O;TZWJAGSDXPAPPX-UHFFFAOYSA-N;128.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183460;MM183460;C=C1CC(C)=C(F)C1=O;RPTIWJFZFREFSO-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183461;MM183461;C=C1C(=N)NC(C)=C1C;FEINKSAFOHISIP-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183462;MM183462;C=C1C(=O)NC(C)=C1C;VNFRAXHMQZTGFI-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183463;MM183463;C=C1C(=O)NC(C)=C1F;LERIGLHJTZBIEK-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183464;MM183464;CN=c1c(N)cn(O)n1O;QPGPAPXCUXSZBY-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183465;MM183465;NN=c1cccc(F)n1O;BMQHKVTVBXSENN-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183466;MM183466;CC1=C(C)C(=O)C(=O)N1;XCYXHLJDDJLCNP-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183467;MM183467;CC1=C(N)NC(=O)C1=O;LJJPTMJFSASJNY-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183468;MM183468;C#CC1C(C(O)CF)N1C;PHPOVNXUITYBRK-UHFFFAOYSA-N;143.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183469;MM183469;C=c1oc(C)c(C)c1=C;YWXFRRVYOGJVKV-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183470;MM183470;C=C1C(=O)OC(C)=C1C;GTQNBQQBQDBVGD-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183471;MM183471;C=c1oc(C)c(F)c1=C;JZLXJNXKUIFQKM-UHFFFAOYSA-N;126.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183472;MM183472;C=C1C(=O)OC(C)=C1F;DDFOEUDLECQFQL-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183473;MM183473;C=C1OC(C)=C(C)C1=O;SMEIKCUKWIVDLB-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183474;MM183474;C=C1OC(N)=C(C)C1=O;XEWDNLOWBGTDIV-UHFFFAOYSA-N;125.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183475;MM183475;CC1=C(C)C(=O)C(=O)O1;VMELNIXAOFVDKZ-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183476;MM183476;CC1=C(N)OC(=O)C1=O;LRNDXUSNUIEDKY-UHFFFAOYSA-N;127.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183477;MM183477;CC1=CC(C)=C(C)C1C;DGPNLWCCHIULCZ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183478;MM183478;CC1=CC(F)=C(C)C1C;MISNPYNEXWSBAM-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183479;MM183479;CC1=C(C)C(C)C(F)=C1;WCPVILVBDFAQOH-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183480;MM183480;CC1=C(F)C=C(F)C1C;OUVLAAUBIRSDSW-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183481;MM183481;CC1=CC(C)=C(F)C1C;RTVNYXSYALNRIQ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183482;MM183482;CC1=C(F)C(C)C(F)=C1;IXEZRYFTGSLXSU-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183483;MM183483;CC1=CC(C)=C(C)C1N;JHTIALWPBFLCDK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183484;MM183484;CC1=CC(F)=C(C)C1N;TYJGSLVVVDJCOZ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183485;MM183485;CC1=CC(C)=C(C)C1O;SDRWCWHZSXQDLV-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183486;MM183486;CC1=CC(F)=C(C)C1O;BIDQDXAOXQCRQN-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183487;MM183487;CC1=CC(F)=C(C)C1F;FOTWPRNBYXPNGQ-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183488;MM183488;Cc1cc(C)n(C)c1C;QIZLKOSIONFNPY-UHFFFAOYSA-N;123.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183489;MM183489;Cc1cc(N)c(C)n1C;MDZUFIFRBGGSGN-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183490;MM183490;Cc1cc(F)c(C)n1C;IGXBFLHMWKMWKS-UHFFFAOYSA-N;127.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183491;MM183491;Cc1cc(N)n(C)c1C;WEOCCMBKIZCRKF-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183492;MM183492;Cc1c(N)cc(N)n1C;FIUCXTSQHKQUNB-UHFFFAOYSA-N;125.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183493;MM183493;Cc1c(F)cc(N)n1C;OWCCTFACERBRNB-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183494;MM183494;Cc1cc(O)n(C)c1C;HWZACIMGXUGVPZ-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183495;MM183495;Cc1c(N)cc(O)n1C;NOVANGMHTYGKBI-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183496;MM183496;Cc1c(O)cc(O)n1C;BSFXPZFDEXAZJL-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183497;MM183497;Cc1c(F)cc(O)n1C;RXRUDWJEWAPTKJ-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183498;MM183498;Cc1cc(F)n(C)c1C;GQSSZMSGLOGOPW-UHFFFAOYSA-N;127.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183499;MM183499;Cc1c(N)cc(F)n1C;SBSGPSDPJPJKGQ-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183500;MM183500;Cc1c(O)cc(F)n1C;HGCOSJALVQFMCB-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183501;MM183501;Cc1c(F)cc(F)n1C;PNZSDKXNZUTLNC-UHFFFAOYSA-N;131.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183502;MM183502;Cc1cc(C)n(C)c1N;QMMBLYGXPPTAIK-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183503;MM183503;Cc1cc(O)c(N)n1C;JCJLQPZUZQUYPH-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183504;MM183504;Cc1cc(F)c(N)n1C;MCRMNKYKYMQVRW-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183505;MM183505;Cn1c(N)cc(N)c1N;DWUNQCTWLAINNO-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183506;MM183506;CC(C)CNNC=O;SOFGWVNJALSRBD-UHFFFAOYSA-N;116.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183507;MM183507;Cn1c(N)cc(F)c1N;WYILTFGBCNJRSS-UHFFFAOYSA-N;129.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183508;MM183508;C=C1CNC(=O)N1N;PCZUPDGSJHTROB-UHFFFAOYSA-N;113.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183509;MM183509;Cn1c(O)cc(O)c1N;DQMXPHKRLKNVGX-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183510;MM183510;Cn1c(O)cc(F)c1N;CMPVPHGQZVLFDP-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183511;MM183511;Cc1cc(F)n(C)c1N;UPSBANLVJVHNDX-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183512;MM183512;Cn1c(F)cc(O)c1N;ISEDLVYTEVITGS-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183513;MM183513;Cn1c(F)cc(F)c1N;WYKOANPGROGQQM-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183514;MM183514;Cc1cc(C)n(C)c1O;CLYPVBZRTPXGCC-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183515;MM183515;Cc1cc(N)c(O)n1C;QDGXVMQZSMSOBY-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183516;MM183516;Cc1cc(O)c(O)n1C;MQZLDPDYLRNMJI-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183517;MM183517;Cc1cc(F)c(O)n1C;JBFDEGKWPZYFGS-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183518;MM183518;C=COCC(O)C=NN;XFUKGENWYHYKSF-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183519;MM183519;Cn1nc(CO)nc1N;NQDFUNABLVGWTB-UHFFFAOYSA-N;128.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183520;MM183520;Cn1c(N)cc(O)c1O;DBMZVTRTASGITI-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183521;MM183521;CN=C1COC(=N)N1C;KDYGBQAQSBXNLO-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183522;MM183522;Cc1cc(O)n(C)c1O;XMGHNLUUPUMNON-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183523;MM183523;Cn1c(O)cc(N)c1O;SAEMKUCSCLAPMC-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183524;MM183524;Cn1c(O)cc(O)c1O;ZIKUNELYRYUYIV-UHFFFAOYSA-N;129.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183525;MM183525;Cn1c(O)cc(F)c1O;BTTYCELBYUYNLM-UHFFFAOYSA-N;131.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183526;MM183526;Cc1cc(F)n(C)c1O;ZGOXJUAGEASIOB-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183527;MM183527;Cn1c(F)cc(N)c1O;XZPXMPSGZNKOIY-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183528;MM183528;Cn1c(F)cc(F)c1O;YFCWCPQBQBOKOL-UHFFFAOYSA-N;133.1;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183529;MM183529;Cc1cc(C)n(C)c1F;SMRYTOQYBMLOOZ-UHFFFAOYSA-N;127.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183530;MM183530;Cc1cc(N)c(F)n1C;QHXRXBZNNYTRIO-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183531;MM183531;Cc1cc(F)c(F)n1C;KLSVZOFARWFHHO-UHFFFAOYSA-N;131.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183532;MM183532;Cc1cc(N)n(C)c1F;PMVFXOXUIOKSLM-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183533;MM183533;Cn1c(N)cc(N)c1F;ANZHYUYRZQCXMX-UHFFFAOYSA-N;129.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183534;MM183534;Cn1c(N)cc(O)c1F;FSBPZPQVGPDRRZ-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183535;MM183535;Cn1c(N)cc(F)c1F;VAJOTUZZSUNDEH-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183536;MM183536;Cc1cc(O)n(C)c1F;GXWUBRLQFRMVRW-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183537;MM183537;Cn1c(O)cc(N)c1F;BWRTWJJASSXARK-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183538;MM183538;Cn1c(O)cc(F)c1F;RRHPRNFSHCSDIM-UHFFFAOYSA-N;133.1;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183539;MM183539;Cc1cc(F)n(C)c1F;LFCVKPLZKOQBQR-UHFFFAOYSA-N;131.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183540;MM183540;Cn1c(F)cc(N)c1F;AORNZDKMESZPAU-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183541;MM183541;Cn1c(F)cc(F)c1F;BBYOVAJULYBUOK-UHFFFAOYSA-N;135.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183542;MM183542;Cc1cc(C)n(N)c1C;ZNAOKBIWIZERJJ-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183543;MM183543;Cc1cc(N)c(C)n1N;UUEVXGPMTUFCGD-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183544;MM183544;Cc1cc(O)c(C)n1N;PXZKGEQJYCTYIC-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183545;MM183545;Cc1cc(F)c(C)n1N;DDTSSFXTPNFCDV-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183546;MM183546;Cc1cc(N)n(N)c1C;ISDGQMQAEJFVLF-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183547;MM183547;Cc1c(N)cc(N)n1N;JUUSKRDMTKFMGV-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183548;MM183548;Cc1c(O)cc(N)n1N;ZQNKCGKKBMTNJF-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183549;MM183549;Cc1c(F)cc(N)n1N;HGDLCOGKNWVOKG-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183550;MM183550;Cc1cc(O)n(N)c1C;PZALTBCVDHJULF-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183551;MM183551;Cc1c(N)cc(O)n1N;MFFKOBPFCLYTMX-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183552;MM183552;Cc1c(F)cc(O)n1N;HAMMCBODDGEQLF-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183553;MM183553;Cc1cc(F)n(N)c1C;FIWMSFGSNNALHO-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183554;MM183554;Cc1c(N)cc(F)n1N;VSPSRKQTHVOLEZ-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183555;MM183555;Cc1c(F)cc(F)n1N;XXDGSLXJZVSNCQ-UHFFFAOYSA-N;132.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183556;MM183556;Cc1cc(C)n(N)c1N;QFYLVWMSYDYKLB-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183557;MM183557;Cc1cc(O)c(N)n1N;USYOHIGJUIOPOV-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183558;MM183558;Cc1cc(F)c(N)n1N;ZVSFBYQVTGSILV-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183559;MM183559;Nc1cc(N)n(N)c1N;CUSYOJADGJMNSX-UHFFFAOYSA-N;127.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183560;MM183560;Nc1cc(O)c(N)n1N;WGCRWISUCSPOFG-UHFFFAOYSA-N;128.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183561;MM183561;Nc1cc(F)c(N)n1N;FYRBMSICPLYEAD-UHFFFAOYSA-N;130.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183562;MM183562;NN=c1ccn(O)n1O;GYTSHJRURBSOAW-UHFFFAOYSA-N;130.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183563;MM183563;Nc1c(O)cc(O)n1N;WUSIXZWIJCKSMY-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183564;MM183564;Nc1c(F)cc(O)n1N;OWOAWTMLSHKUEZ-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183565;MM183565;Cc1cc(F)n(N)c1N;PPCHFROIGUCQBR-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183566;MM183566;Nc1cc(F)n(N)c1N;OWJHCLDDLZSIEZ-UHFFFAOYSA-N;130.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183567;MM183567;Nc1c(F)cc(F)n1N;PWOVTPDPPDXWHV-UHFFFAOYSA-N;133.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183568;MM183568;Cc1cc(C)n(N)c1O;PFJIHEIYLNNCAU-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183569;MM183569;COc1cnc(O)n1C;JSULZZNPTWHUIF-UHFFFAOYSA-N;128.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183570;MM183570;Cc1cc(F)c(O)n1N;DCLYGNGKUCZSAH-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183571;MM183571;C#Cc1ccc(N=N)[nH]1;DFWXPWULNRUGCI-UHFFFAOYSA-N;119.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183572;MM183572;C#CC1NC1C(O)CF;LNBMPQBRKMXXGF-UHFFFAOYSA-N;129.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183573;MM183573;Nc1cc(O)c(O)n1N;NQUQQZYRAVEOJT-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183574;MM183574;Nc1cc(F)c(O)n1N;ZUWFXDTWZOTFBY-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183575;MM183575;Cc1cc(O)n(N)c1O;KOCXUOBKNPQPAN-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183576;MM183576;Nc1cc(O)n(N)c1O;YKKJIJNZBBCBNI-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183577;MM183577;Nn1c(O)cc(F)c1O;MHLVAKCUPLHHMJ-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183578;MM183578;Cc1cc(F)n(N)c1O;GHYCHSUDHAXBRJ-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183579;MM183579;C=CC(C)(O)C(C)=NOC;QXWJHDBTNCVDJR-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183580;MM183580;Nn1c(F)cc(F)c1O;BZKQXPSIBAMUDK-UHFFFAOYSA-N;134.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183581;MM183581;Cc1cc(C)n(N)c1F;PTBLNNJGZAFKTM-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183582;MM183582;Cc1cc(N)c(F)n1N;ZQJQHHDKMLYRJZ-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183583;MM183583;Cc1cc(F)c(F)n1N;AFBVTWTWRKAXLT-UHFFFAOYSA-N;132.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183584;MM183584;Cc1cc(N)n(N)c1F;RYQMMZVUWKPDPO-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183585;MM183585;Nc1cc(N)n(N)c1F;UXKKAFSKZKCKRS-UHFFFAOYSA-N;130.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183586;MM183586;Nc1cc(F)c(F)n1N;HVZLZYHBSYBYBU-UHFFFAOYSA-N;133.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183587;MM183587;Cc1cc(O)n(N)c1F;RWEXPGZHJILNNO-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183588;MM183588;Nc1cc(O)n(N)c1F;FFHCTWITBDEHOI-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183589;MM183589;Nn1c(O)cc(F)c1F;XQRKMJBBLGCNKG-UHFFFAOYSA-N;134.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183590;MM183590;Cc1cc(F)n(N)c1F;XTCWXDZRESNFSS-UHFFFAOYSA-N;132.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183591;MM183591;Nc1cc(F)n(N)c1F;ZPQSXKBYVBWKQS-UHFFFAOYSA-N;133.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183592;MM183592;NN=CC(=O)NOCCO;RIHDDTFTIMURRA-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183593;MM183593;Nn1c(F)cc(F)c1F;IGRATMVFVCTJTK-UHFFFAOYSA-N;136.08;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183594;MM183594;Cc1cc(C)n(O)c1C;OLVSVCMQHNHWGH-UHFFFAOYSA-N;125.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183595;MM183595;C=C(C)OCC(O)C=NN;QBEYCFHLFHYLMK-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183596;MM183596;Cc1cc(F)c(C)n1O;INJUSDSZKCJAQH-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183597;MM183597;NN=COCC(O)C=NN;ZVECZSNHLMBFDT-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183598;MM183598;C=C(C)C(O)C(C)=NNC;AKLGJIUKJFUGHE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183599;MM183599;Cc1c(O)cc(N)n1O;KAXBNEQKUWHTAB-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183600;MM183600;Cc1c(F)cc(N)n1O;ZGWZKFPTVZCDIQ-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183601;MM183601;Cc1cc(O)n(O)c1C;XYJBHVSLOALJCT-UHFFFAOYSA-N;127.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183602;MM183602;Cc1c(N)cc(O)n1O;MIPJMCUASOMWRP-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183603;MM183603;Cc1c(F)cc(O)n1O;YKDVCNJBLDUVAG-UHFFFAOYSA-N;131.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183604;MM183604;Cc1cc(F)n(O)c1C;JDGPQRJSLKBBTD-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183605;MM183605;Cc1c(N)cc(F)n1O;HDQNGCNUFGAMAY-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183606;MM183606;Cc1c(F)cc(F)n1O;JNPFMUCQVISRSD-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183607;MM183607;C=C1C=C(C=NN)CC1=C;NKTCPQKBLGSZQK-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183608;MM183608;C=CC(O)(C=NNC)CC;DDWZFKOLNZJKDC-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183609;MM183609;Cc1cc(O)c(N)n1O;YBMDXJBQYNGXLR-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183610;MM183610;Cc1cc(F)c(N)n1O;MUWNTMPIKWFAFS-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183611;MM183611;COC(=N)N(O)C(=N)C=O;KPOMXPIVASCWQX-UHFFFAOYSA-N;145.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183612;MM183612;Nc1cc(O)c(N)n1O;RESLCRUCXFLFEX-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183613;MM183613;C#CC(O)C(C)CC=NN;IALCBJPFPQXKAS-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183614;MM183614;Cc1cc(O)n(O)c1N;ONAZKGMQOKTDMB-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183615;MM183615;C=C(CC=CC)C(=O)NN;KEYCIAGVCIZHSG-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183616;MM183616;Nc1c(O)cc(O)n1O;QCXIOSZEXFWRKL-UHFFFAOYSA-N;130.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183617;MM183617;Nc1c(F)cc(O)n1O;DGSSMJIQDBSAAF-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183618;MM183618;Cc1cc(F)n(O)c1N;AAEOPTOMLDYMRC-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183619;MM183619;C=CCC=C(C)C(=O)NN;IWHCISZJESOROR-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183620;MM183620;Nc1c(F)cc(F)n1O;XWRKUCCPLSQCIM-UHFFFAOYSA-N;134.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183621;MM183621;Cc1cc(C)n(O)c1O;ZLNBOLCKRMCBMR-UHFFFAOYSA-N;127.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183622;MM183622;Cc1cc(N)c(O)n1O;NMSRKIINCHMZQW-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183623;MM183623;Cc1cc(F)c(O)n1O;OXIVYTTWGLGURY-UHFFFAOYSA-N;131.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183624;MM183624;Cc1cc(N)n(O)c1O;YHQMWIUYLAWZQM-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183625;MM183625;Nc1cc(N)n(O)c1O;KVUYSCOEXZLYHM-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183626;MM183626;Nc1cc(F)c(O)n1O;ATRXPKPBRIFXEL-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183627;MM183627;Cc1cc(O)n(O)c1O;DPFJNEJSOXLQCQ-UHFFFAOYSA-N;129.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183628;MM183628;Nc1cc(O)n(O)c1O;UVNZGGWEUJJLJP-UHFFFAOYSA-N;130.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183629;MM183629;Oc1cc(F)c(O)n1O;BRARQRYRMQAZOH-UHFFFAOYSA-N;133.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183630;MM183630;Cc1cc(F)n(O)c1O;XKFOKWYRNUCBFK-UHFFFAOYSA-N;131.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183631;MM183631;Nc1cc(F)n(O)c1O;GOABKYGSWXHIDZ-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183632;MM183632;Cc1cc(C)n(O)c1F;XSZDYSPITPCYAM-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183633;MM183633;Cc1cc(N)c(F)n1O;UASBJUWNLTXVKL-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183634;MM183634;Cc1cc(F)c(F)n1O;JNGILAFYVHPXSV-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183635;MM183635;Cc1cc(N)n(O)c1F;SFGCSMOKPDGIEY-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183636;MM183636;Nc1cc(N)n(O)c1F;GTKIBEBWHGFRES-UHFFFAOYSA-N;131.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183637;MM183637;Nc1cc(F)c(F)n1O;WNHVGJBVZQPYNM-UHFFFAOYSA-N;134.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183638;MM183638;Cc1cc(O)n(O)c1F;KMTFINUAIYOILL-UHFFFAOYSA-N;131.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183639;MM183639;Nc1cc(O)n(O)c1F;NWAJDCQVAUZJKH-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183640;MM183640;Cc1cc(F)n(O)c1F;RVSNINJPADNHDS-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183641;MM183641;Nc1cc(F)n(O)c1F;UUDFFGXUAKGUNN-UHFFFAOYSA-N;134.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183642;MM183642;CC(F)C(O)(C=O)C=NO;XGCCIHLTRRRWBI-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183643;MM183643;CCC(O)C#CC=NOC;VEWPWMJGKYWDOT-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183644;MM183644;Cc1nc(F)c(C)n1C;GGZSPMXVDCRSCC-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183645;MM183645;Cc1nc(N)n(C)c1C;CBCIYKBGCGRWLR-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183646;MM183646;Cc1c(N)nc(N)n1C;VVORJCGCMYLVQQ-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183647;MM183647;CNN=C(CF)NNC=O;KRHWATBMXCTHNE-UHFFFAOYSA-N;148.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183648;MM183648;Cc1c(F)nc(N)n1C;GLFOCZVFMQZVGO-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183649;MM183649;CC(C=O)NC1C(O)C1F;ISFCSYOPLGEWFY-UHFFFAOYSA-N;147.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183650;MM183650;N=Cn1oc(=O)c(=N)n1O;PQPAOQQCZDRQQR-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183651;MM183651;Cc1c(O)nc(O)n1C;JTEAJTXDDACOQB-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183652;MM183652;Cc1c(F)nc(O)n1C;RAGLORUZFVWGOD-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183653;MM183653;Cn1c(=O)oc(=NN)n1O;ZQAMPZUDQRCGET-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183654;MM183654;Cc1nc(F)c(N)n1C;JOYXUTVJYBTNQW-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183655;MM183655;Cc1nc(N)n(C)c1N;IEOIGEXREXPYEP-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183656;MM183656;Cn1c(N)nc(N)c1N;YHXSCOUQUFVRFF-UHFFFAOYSA-N;127.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183657;MM183657;Cn1c(N)nc(F)c1N;ZSUXRUDOQRVGSX-UHFFFAOYSA-N;130.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183658;MM183658;NN=c1on(O)c(N)c1N;UGJFENOLNMOFHJ-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183659;MM183659;CNC(C#N)C(O)C=CF;JHQOGFFYXFUBBJ-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183660;MM183660;Cn1c(O)nc(O)c1N;DQIPZEXLQFYHFH-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183661;MM183661;Cn1c(O)nc(F)c1N;ILHCYGOXPVPAOI-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183662;MM183662;C#CC(C#N)=C(N)NC=O;ZCQJBPMLSHNSSD-UHFFFAOYSA-N;135.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183663;MM183663;C=Cc1nc(C(=C)C)c[nH]1;QSEPKRKUCPDQLL-UHFFFAOYSA-N;134.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183664;MM183664;Cc1nc(O)c(O)n1C;QNXNTXYFRSFDED-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183665;MM183665;Cc1nc(F)c(O)n1C;FYXAAMFNPJXACX-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183666;MM183666;Nc1ncc(CO)o1;RMCXNCZLJGRQBO-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183667;MM183667;Cn1c(N)nc(F)c1O;PQYMUMRHLCWMPH-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183668;MM183668;CC(F)C(=N)NNC=O;SEXNZOAAZKBGDB-UHFFFAOYSA-N;133.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183669;MM183669;CCc1ccc(N)n1O;LCRKFFZXYXEADV-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183670;MM183670;Cn1c(O)nc(O)c1O;ZAKOKNKIXJIPMQ-UHFFFAOYSA-N;130.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183671;MM183671;Cn1c(O)nc(F)c1O;IHRZWQJTDFYXKX-UHFFFAOYSA-N;132.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183672;MM183672;Cc1nc(C)n(C)c1F;JWNZYNKJZKIBJE-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183673;MM183673;CNc1cnc(O)n1N;IQFFJPWCSARGKA-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183674;MM183674;Cc1nc(O)c(F)n1C;BLQLPOPLZKDQCR-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183675;MM183675;Cc1nc(F)c(F)n1C;RLQYQQMZVDLDQA-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183676;MM183676;Cn1c(N)nc(O)c1F;UGFQOYYHPKHPOU-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183677;MM183677;Cn1c(N)nc(F)c1F;PWEYAYVQZFHEMS-UHFFFAOYSA-N;133.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183678;MM183678;Cc1nc(O)n(C)c1F;XYQRYUHBYUXQNZ-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183679;MM183679;Cn1c(O)nc(N)c1F;YPFQVWZDOSAOFI-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183680;MM183680;Cn1c(O)nc(O)c1F;LWTQDBSCELVASB-UHFFFAOYSA-N;132.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183681;MM183681;Cn1c(O)nc(F)c1F;VGKJJPCJLNJKHB-UHFFFAOYSA-N;134.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183682;MM183682;Cc1nc(O)c(C)n1N;MKWYTXJCUMAAAO-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183683;MM183683;Cc1nc(F)c(C)n1N;HXRYCJSEDLHPNN-UHFFFAOYSA-N;129.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183684;MM183684;Cc1nc(N)n(N)c1C;WEGLQLDWHJAQKP-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183685;MM183685;Cc1c(N)nc(N)n1N;MZYATLBCYRZESJ-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183686;MM183686;CCC(CC)NNC=O;ZGZBABKUWOIFOE-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183687;MM183687;Cc1c(F)nc(N)n1N;RIIBFILRHDMXEI-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183688;MM183688;CCc1c[nH]c(CF)n1;VHVMBABDJSKGDG-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183689;MM183689;OCC1NC1C(O)CF;FFTIVHGBTXJXMD-UHFFFAOYSA-N;135.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183690;MM183690;Cc1c(O)nc(O)n1N;KGXKHVVZQZVFTN-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183691;MM183691;Cc1c(F)nc(O)n1N;QENZLWIPMKTIQP-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183692;MM183692;Cc1nc(O)c(N)n1N;GROZQWDYDQZVPF-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183693;MM183693;Cc1nc(F)c(N)n1N;SNDYEJQHNDHFPG-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183694;MM183694;Cc1nc(N)n(N)c1N;PTJYQJGNNBUXRS-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183695;MM183695;Nc1nc(N)n(N)c1N;XVDODSGVIVATIK-UHFFFAOYSA-N;128.14;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183696;MM183696;O=CC1NC1C(O)CF;NSNDVADOBCPAOX-UHFFFAOYSA-N;133.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183697;MM183697;Nc1nc(F)c(N)n1N;WBPUQINAXCGNNA-UHFFFAOYSA-N;131.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183698;MM183698;N=C(N)C(F)(F)CC(N)=O;IDFKLSITIZCHJE-UHFFFAOYSA-N;151.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183699;MM183699;C=CC(C)(C)CC(=O)NN;MUNBNBDVFDMOAK-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183700;MM183700;Nc1c(O)nc(O)n1N;JXJDPVJABQGFNM-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183701;MM183701;Nc1c(F)nc(O)n1N;PQTZZULDAWJKAH-UHFFFAOYSA-N;132.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183702;MM183702;C=C(C)C(C)CC(=O)NN;BCIUXCRRAXPJCR-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183703;MM183703;C=NN=C(N)CC(O)C=O;ALRBIEKNEQLYNZ-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183704;MM183704;Cc1nc(O)c(O)n1N;YQGXAQNOZBABQB-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183705;MM183705;Cc1nc(F)c(O)n1N;AQUOUYKIJWBDGV-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183706;MM183706;Nc1nc(O)c(O)n1N;JLUQVCLDFKBOCV-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183707;MM183707;Nc1nc(F)c(O)n1N;MCMGTIFLUJKHFA-UHFFFAOYSA-N;132.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183708;MM183708;Cc1nc(O)n(N)c1O;FNURISFQKHTJHP-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183709;MM183709;CC=CC(C)CC(=O)NN;QIZOUVPQZPVSRS-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183710;MM183710;Nn1c(O)nc(O)c1O;LOQSIVXKPNVDLX-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183711;MM183711;Nn1c(O)nc(F)c1O;AKLSBWOQIZEFIL-UHFFFAOYSA-N;133.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183712;MM183712;Cc1nc(C)n(N)c1F;SRMDYTUCYQZGRO-UHFFFAOYSA-N;129.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183713;MM183713;NN=CC(O)COCCO;KJGOIYUJBQXEAE-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183714;MM183714;Cc1nc(F)c(F)n1N;GLKFGVDTMWMMEO-UHFFFAOYSA-N;133.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183715;MM183715;Cc1nc(N)n(N)c1F;BFNLLUTZPDCUNB-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183716;MM183716;COCOCC(O)C=NN;VFWXXXPNRYJOJA-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183717;MM183717;Nc1nc(F)c(F)n1N;PCDPBOKKZSQXMI-UHFFFAOYSA-N;134.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183718;MM183718;Cc1nc(O)n(N)c1F;XOESXPUXKUDLEZ-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183719;MM183719;Nc1nc(O)n(N)c1F;ANSGBXAKJILLST-UHFFFAOYSA-N;132.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183720;MM183720;Nn1c(O)nc(F)c1F;PQWMRJVQUOANAR-UHFFFAOYSA-N;135.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183721;MM183721;C#CCOCC(O)C=NN;YYNZTCCBVUXTCC-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183722;MM183722;C=NOC(=N)N(O)C(C)=N;LSYXIXIUUQRTCM-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183723;MM183723;Cc1nc(O)c(C)n1O;ORBVVADXJCPUMY-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183724;MM183724;Cc1nc(F)c(C)n1O;ZELRGMZIKIODOK-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183725;MM183725;Cc1c(O)nc(N)n1O;IICIDOKXXKPNMV-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183726;MM183726;Cc1c(F)nc(N)n1O;WIOQYFBLSVPYBW-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183727;MM183727;Cc1nc(O)n(O)c1C;MEWPTRYNBKVVCT-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183728;MM183728;Cc1c(N)nc(O)n1O;IUNHDZMLOCSEGE-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183729;MM183729;Cc1c(O)nc(O)n1O;BJDYCBMMVQYQFG-UHFFFAOYSA-N;130.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183730;MM183730;Cc1c(F)nc(O)n1O;NIGQAUMSYOTTEX-UHFFFAOYSA-N;132.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183731;MM183731;Cc1nc(O)c(N)n1O;DQSQPKJXYSFRKX-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183732;MM183732;Cc1nc(F)c(N)n1O;DFVDTWKGCJXEJJ-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183733;MM183733;NC(=O)C(=O)N(N)CCO;ZXRMJLLYLGYMCW-UHFFFAOYSA-N;147.13;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183734;MM183734;Nc1nc(F)c(N)n1O;LXGBGMPQWGTMNL-UHFFFAOYSA-N;132.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183735;MM183735;Cc1nc(O)n(O)c1N;BNKQWUMBDLGNJG-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183736;MM183736;N=c1cc(F)cc(F)n1O;WYTAIIMKOAIULO-UHFFFAOYSA-N;146.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183737;MM183737;Nc1c(O)nc(O)n1O;TYEVEOMAAMPNFN-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183738;MM183738;Nc1c(F)nc(O)n1O;HTBPPQHOPVWDFB-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183739;MM183739;Cc1nc(C)n(O)c1O;ASZNRUFNBZBWLM-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183740;MM183740;C=CC(CC)CC(=O)NN;IAQGHZQYFILJJC-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183741;MM183741;Cc1nc(O)c(O)n1O;DNSWNMVWCVWTOE-UHFFFAOYSA-N;130.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183742;MM183742;COC(=N)N(O)C(=N)CF;IEDNMTIKLJFYTG-UHFFFAOYSA-N;149.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183743;MM183743;Nc1nc(O)c(O)n1O;NTIOQSAETLOCOV-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183744;MM183744;Nc1nc(F)c(O)n1O;IILXRVWSDBLUKB-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183745;MM183745;Cc1nc(O)n(O)c1O;VWEBUNCIXCCQAH-UHFFFAOYSA-N;130.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183746;MM183746;Nc1nc(O)n(O)c1O;VIBIEERQKHIVLF-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183747;MM183747;Cc1nc(C)n(O)c1F;BLMOZGCUBKCDQB-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183748;MM183748;Cc1nc(N)c(F)n1O;XYCUXXKZABEQNQ-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183749;MM183749;Cc1nc(N)n(O)c1F;SRGFPELXRVUXBY-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183750;MM183750;C#CC(=N)N(O)C(=C)C#N;UNGIOPUCTVTRHR-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183751;MM183751;Nc1nc(O)n(O)c1F;JZFOLFMQCQSXJD-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183752;MM183752;CN=c1c(=O)n(O)on1O;RYKZUQJDBCDADJ-UHFFFAOYSA-N;147.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183753;MM183753;C=C1C(C)=CC(C)=C1C;DTEOODXVNAUUNM-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183754;MM183754;C=C1C(C)=CC(F)=C1C;KGJIUOAHHWTCKL-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183755;MM183755;C=C1C(F)=CC(C)=C1C;JTIDFFIBNUXPHS-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183756;MM183756;C=C1C(F)=CC(F)=C1C;ILANKPGPWPDWMR-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183757;MM183757;C=C1C(C)=CC(C)=C1F;UBVRNKDCKGXASY-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183758;MM183758;C=C1C(F)=CC(C)=C1F;ZYUWKINSFUKOBB-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183759;MM183759;CC1=CC(C)=C(C)C1=O;DEABIHXUIFUYPH-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183760;MM183760;CC1=CC(N)=C(C)C1=O;BZQBBCFOKXTJKO-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183761;MM183761;CC1=CC(F)=C(C)C1=O;VMVMFXIZTMIBAE-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183762;MM183762;CC1=C(C)C(=O)C(F)=C1;YMTMUWOMQUBSNI-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183763;MM183763;CC1=C(N)C=C(F)C1=O;OIFCUDCYWKDATE-UHFFFAOYSA-N;127.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183764;MM183764;CC1=C(F)C=C(F)C1=O;XFQLAYODTWBKPF-UHFFFAOYSA-N;130.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183765;MM183765;CC1=CC(C)=C(F)C1=O;SNVLQDKWCYDYJO-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183766;MM183766;CC1=CC(N)=C(F)C1=O;LJVDTGRXJQHJNU-UHFFFAOYSA-N;127.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183767;MM183767;CC1=NC(C)=C(C)C1=O;UNEGNAZPQUAMBA-UHFFFAOYSA-N;123.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183768;MM183768;C=CCCC(=C)C(=O)NN;LSMVEVIFPPKAGQ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183769;MM183769;CC1=NC(C)=C(F)C1=O;MXBYEKUJJWIHAK-UHFFFAOYSA-N;127.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183770;MM183770;CC1=C(C)C(C)=C(C)C1;VNPQQEYMXYCAEZ-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183771;MM183771;CC1=C(C)C(C)=C(F)C1;ANFQPJCGMILCBU-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183772;MM183772;CC1=C(F)CC(F)=C1C;QGXMZOJFTPPTKG-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183773;MM183773;CC1=C(C)C(F)=C(C)C1;ZLOAQSUAVJSJFM-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183774;MM183774;CC1=C(F)C(C)=C(F)C1;JHQPTJKAHYJZJI-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183775;MM183775;Cc1[nH]c(C)c(C)c1C;BDXJANJAHYKTMI-UHFFFAOYSA-N;123.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183776;MM183776;Cc1nnnc(=NN)n1O;ZATFGLZEXJDOAZ-UHFFFAOYSA-N;142.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183777;MM183777;Cc1[nH]c(O)c(C)c1C;KPAMRQXEXYCYAF-UHFFFAOYSA-N;125.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183778;MM183778;Cc1[nH]c(F)c(C)c1C;XPSXLZKCYLAVEP-UHFFFAOYSA-N;127.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183779;MM183779;Cc1c(N)[nH]c(N)c1C;RICITPCWVQSAMB-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183780;MM183780;C#Cc1n[nH]c(OC)c1C;UPPJZJVNCAJLLT-UHFFFAOYSA-N;136.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183781;MM183781;N=c1cnnc2n1CC2O;VMBRQTGRVNEXFO-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183782;MM183782;Cc1c(O)[nH]c(O)c1C;SLQJIWDJCAWJTQ-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183783;MM183783;Cc1c(O)[nH]c(F)c1C;XXMJYNFZAZRMES-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183784;MM183784;Cc1c(F)[nH]c(F)c1C;ZMXDZEVGAFCUJN-UHFFFAOYSA-N;131.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183785;MM183785;COCC(O)C=NN;NKKUWODEUCJLIR-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183786;MM183786;Cc1[nH]c(N)c(N)c1C;QYVHCCDIMZLHDS-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183787;MM183787;Cc1[nH]c(O)c(N)c1C;VVMQUOJJXPKQKZ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183788;MM183788;Cc1[nH]c(F)c(N)c1C;NGJBXUYQTGUZBI-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183789;MM183789;CCCC(C)NNC=O;DSRDGBKQASFMQY-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183790;MM183790;Cc1c(N)[nH]c(N)c1N;LYLHFTAJKOFIBS-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183791;MM183791;CCOCC(O)C=NN;VTMLOWZPTLLYBT-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183792;MM183792;CNN=CC(O)COC;NQDJMXFBYDYTDZ-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183793;MM183793;Cc1[nH]c(O)c(C)c1N;XMKUPUZFYOUYOF-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183794;MM183794;Cc1c(O)[nH]c(N)c1N;YJTLXMDHVJKMJF-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183795;MM183795;Cc1c(O)[nH]c(O)c1N;PIZSGWAOFXKHSS-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183796;MM183796;Cc1c(O)[nH]c(F)c1N;XLPIHCKLGKVDFC-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183797;MM183797;CCC(O)C#CC=NN;VDJAIMOKJBZIID-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183798;MM183798;Cc1c(F)[nH]c(O)c1N;IXTRAODXWWKUHN-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183799;MM183799;Cc1c(F)[nH]c(F)c1N;WBTICAZPQGJISD-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183800;MM183800;C=NOC(CO)C(N)=O;BDSSDVLVULINGH-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183801;MM183801;Cc1[nH]c(O)c(O)c1C;VDVUZJKAVINYOR-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183802;MM183802;CC1NC(=O)N(C)C1=N;IDGMBPJOLWDPCS-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183803;MM183803;Cc1c(N)[nH]c(F)c1O;IXSLLILTOAHKIN-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183804;MM183804;Cc1[nH]c(O)c(C)c1O;MLDKCYRUDAWDCY-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183805;MM183805;Cc1c(O)[nH]c(N)c1O;BFXQVYDYFMFRSE-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183806;MM183806;Cc1c(O)[nH]c(O)c1O;SZGYDBJIHGQSSZ-UHFFFAOYSA-N;129.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183807;MM183807;Cc1[nH]c(F)c(C)c1O;DLEQUJXTSONSAT-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183808;MM183808;Cc1c(F)[nH]c(N)c1O;WTNTZZNHHOIZED-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183809;MM183809;Cc1[nH]c(C)c(F)c1C;AXUHZUYEEQIHCE-UHFFFAOYSA-N;127.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183810;MM183810;C=C1C(C)NC(=O)N1N;VYEMVBGLGOSXAQ-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183811;MM183811;Cc1[nH]c(O)c(F)c1C;UUACTCRKYPCCIN-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183812;MM183812;Cc1[nH]c(F)c(F)c1C;MZOFOIXTSQZIME-UHFFFAOYSA-N;131.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183813;MM183813;C=COc1nc(N)c[nH]1;GMMSLQWACPCAFY-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183814;MM183814;CC12CC1N(N)C(=O)N2;PACGSOGNCOGKIC-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183815;MM183815;CNc1ccc(C)n1O;COZUNFBFOBDKLK-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183816;MM183816;Cc1[nH]c(O)c(C)c1F;XMDGFVRKBPZDHT-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183817;MM183817;Cc1c(O)[nH]c(N)c1F;HQMGHNYLGCZFIX-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183818;MM183818;Cc1c(O)[nH]c(O)c1F;HZSYLHPAMZMRQP-UHFFFAOYSA-N;131.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183819;MM183819;Cc1c(O)[nH]c(F)c1F;OFIYDCNHFKUCJS-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183820;MM183820;Cc1[nH]c(F)c(C)c1F;LICZNCJGSIJWBC-UHFFFAOYSA-N;131.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183821;MM183821;Cc1c(F)[nH]c(N)c1F;NTFNGSJKYLVZBR-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183822;MM183822;Cc1c(F)[nH]c(F)c1F;AODMXAZVHJHTKI-UHFFFAOYSA-N;135.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183823;MM183823;CN=C(CF)NNC=O;COYUGIHSISPGLH-UHFFFAOYSA-N;133.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183824;MM183824;Cc1[nH]c(N)c(N)c1N;YEQOINAAEOFGRV-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183825;MM183825;Cc1[nH]c(O)c(N)c1N;ZZQHXTRSHGAYIM-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183826;MM183826;COc1cc(CO)[nH]n1;MOXDZFTVMGBCRJ-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183827;MM183827;Nc1[nH]c(N)c(N)c1N;KFZCLJOLUNABGA-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183828;MM183828;Nc1c(O)[nH]c(O)c1N;CKVLFOLJZJRCSO-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183829;MM183829;Nc1c(O)[nH]c(F)c1N;MZJPVRUAMSPLJR-UHFFFAOYSA-N;131.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183830;MM183830;Nc1c(F)[nH]c(F)c1N;KZYANANYBCBVKI-UHFFFAOYSA-N;133.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183831;MM183831;Cc1[nH]c(C)c(O)c1N;GIFAOZDDQRLTRI-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183832;MM183832;Cc1[nH]c(N)c(O)c1N;QVGBHRZACJAOBH-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183833;MM183833;Cc1[nH]c(O)c(O)c1N;PPFNVVZGRDIDGU-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183834;MM183834;Nc1[nH]c(N)c(O)c1N;ARUFJEHDFNUJPR-UHFFFAOYSA-N;128.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183835;MM183835;Cc1[nH]c(O)c(N)c1O;MFGPDKVVGMAHJL-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183836;MM183836;Nc1[nH]c(O)c(N)c1O;IEAKVAVVNGLEMT-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183837;MM183837;Nc1c(O)[nH]c(O)c1O;UDVRGTQCWALGKT-UHFFFAOYSA-N;130.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183838;MM183838;Nc1[nH]c(F)c(N)c1O;QJONMABRGOJAOE-UHFFFAOYSA-N;131.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183839;MM183839;Cc1[nH]c(C)c(F)c1N;CFOCLTMWAYGCIL-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183840;MM183840;C=CC1NC1C(O)CF;NOXSKEIVGSCRNE-UHFFFAOYSA-N;131.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183841;MM183841;Cc1[nH]c(O)c(F)c1N;GXMUJCIQEPHHQP-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183842;MM183842;Cc1[nH]c(F)c(F)c1N;RXUGMRSKXVSDBG-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183843;MM183843;Nc1[nH]c(N)c(F)c1N;UMIGSFFSBGVQCV-UHFFFAOYSA-N;130.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183844;MM183844;Cc1[nH]c(O)c(N)c1F;KPPLTCVPNKYVPR-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183845;MM183845;Nc1[nH]c(O)c(N)c1F;ZXMPXHYJTLMEIM-UHFFFAOYSA-N;131.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183846;MM183846;Nc1c(O)[nH]c(O)c1F;NQTIQVXGDAXTGH-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183847;MM183847;Nc1c(O)[nH]c(F)c1F;GTLOWRDMTASCCQ-UHFFFAOYSA-N;134.09;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183848;MM183848;Cc1[nH]c(F)c(N)c1F;HRPRXBMTJFVTGG-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183849;MM183849;C=CC#Cc1c[nH]cn1;JBUIQJWEBUFJNM-UHFFFAOYSA-N;118.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183850;MM183850;Nc1c(F)[nH]c(F)c1F;DBJVQFHGJDTWJB-UHFFFAOYSA-N;136.08;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183851;MM183851;Cc1[nH]c(N)c(O)c1O;JCFUWYFRZAXOOL-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183852;MM183852;C=NOC(OC)C(C)(C)O;VWVQYQGCWFZPDX-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183853;MM183853;Nc1[nH]c(O)c(O)c1O;MZJOZRHGMSCJDJ-UHFFFAOYSA-N;130.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183854;MM183854;Nc1c(CF)n[nH]c1O;RBHGKVMBWHQNKI-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183855;MM183855;Cc1[nH]c(N)c(O)c1F;ODRBWFXWPSYXEM-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183856;MM183856;Nc1[nH]c(N)c(F)c1O;LWEYJDHIEVGEFE-UHFFFAOYSA-N;131.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183857;MM183857;Nc1[nH]c(O)c(F)c1O;KHEBUZIVUBGVTL-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183858;MM183858;Nc1[nH]c(O)c(O)c1F;ZFKZIEBTIIFLET-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183859;MM183859;N=c1c(=O)n(O)on1O;WCSTXRIQKHPEQD-UHFFFAOYSA-N;133.06;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183860;MM183860;Cc1[nH]c(C)c(F)c1F;RHEICRHMBQHMQF-UHFFFAOYSA-N;131.13;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183861;MM183861;CCCC(C)(C)C(=O)NN;WFQIIJPPLMSFAS-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183862;MM183862;Cc1[nH]c(F)c(F)c1F;OZSAFPPSPVSOLW-UHFFFAOYSA-N;135.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183863;MM183863;CCCC(C)(C)NNC=O;NPNZRBWDICHTCB-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183864;MM183864;Nc1[nH]c(O)c(F)c1F;TVCTXZUTKRJOCO-UHFFFAOYSA-N;134.09;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183865;MM183865;Nc1[nH]c(F)c(F)c1F;ROIJXAYECNBACX-UHFFFAOYSA-N;136.08;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183866;MM183866;Fc1[nH]c(F)c(F)c1F;IXXJMQRWSTXROQ-UHFFFAOYSA-N;139.05;1.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183867;MM183867;Cc1oc(C)c(C)c1C;OMFSJRHPFYVJSP-UHFFFAOYSA-N;124.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183868;MM183868;Cc1oc(N)c(C)c1C;MTDLVTXOGQUFLZ-UHFFFAOYSA-N;125.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183869;MM183869;Cc1oc(F)c(C)c1C;OGKNNOUJDWQDKW-UHFFFAOYSA-N;128.15;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183870;MM183870;Cc1c(N)oc(N)c1C;MCRRTBSDKUDVOZ-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183871;MM183871;Cc1c(N)oc(O)c1C;WTPUMGYUWXHIBN-UHFFFAOYSA-N;127.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183872;MM183872;Cc1c(N)oc(F)c1C;KEOXNASVFUDBJO-UHFFFAOYSA-N;129.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183873;MM183873;Cc1c(F)oc(F)c1C;VYWMAVGVBQWACO-UHFFFAOYSA-N;132.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183874;MM183874;Cc1oc(C)c(N)c1C;RYFBYNKLPVFUGO-UHFFFAOYSA-N;125.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183875;MM183875;Cc1oc(N)c(N)c1C;VRORCFZRZBTIJG-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183876;MM183876;Cc1oc(O)c(N)c1C;CIMYOXZMAUAFQO-UHFFFAOYSA-N;127.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183877;MM183877;Cc1oc(F)c(N)c1C;BIZNVWWBNQZRAS-UHFFFAOYSA-N;129.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183878;MM183878;Cc1oc(N)c(C)c1N;CQQONKUPAXLJJO-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183879;MM183879;Cc1c(N)oc(N)c1N;NGVSSRFEZVOWQV-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183880;MM183880;Cc1c(N)oc(O)c1N;NNSCQGFEQIULNY-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183881;MM183881;Cc1c(N)oc(F)c1N;QWEHAZNFHGUFQZ-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183882;MM183882;Cc1c(O)oc(N)c1N;QIONKQZXJPTOFC-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183883;MM183883;Cc1c(O)oc(O)c1N;AUCGAHKPLRDHSU-UHFFFAOYSA-N;129.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183884;MM183884;Cc1oc(F)c(C)c1N;PXJSHIHYLIBLNZ-UHFFFAOYSA-N;129.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183885;MM183885;Cc1c(F)oc(N)c1N;JAFXXCTXHJEIEB-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183886;MM183886;Cc1c(F)oc(O)c1N;RUPXTVKYDFFDLW-UHFFFAOYSA-N;131.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183887;MM183887;Cc1c(F)oc(F)c1N;VKJCVOCHRSGSKP-UHFFFAOYSA-N;133.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183888;MM183888;CN=c1[nH]c(=NO)n(O)o1;IJCVBHFLUVBUFL-UHFFFAOYSA-N;146.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183889;MM183889;N#CCNCC(CF)=NO;QHYRFRNDSWAZHP-UHFFFAOYSA-N;145.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183890;MM183890;N=c1oc(O)c(F)n1N;SZAUGMRJAYCXNA-UHFFFAOYSA-N;133.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183891;MM183891;N=c1nnc(O)c(F)n1N;CNYFTKPDRSFRMK-UHFFFAOYSA-N;145.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183892;MM183892;Cc1oc(C)c(F)c1C;ZRGVDGATBIEVFJ-UHFFFAOYSA-N;128.15;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183893;MM183893;Cc1oc(N)c(F)c1C;LLZSFTPZFGPQEN-UHFFFAOYSA-N;129.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183894;MM183894;Cc1oc(F)c(F)c1C;FWBLIHFVGRRYNE-UHFFFAOYSA-N;132.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183895;MM183895;Cc1oc(N)c(C)c1F;SVCDEQQIUOTTTQ-UHFFFAOYSA-N;129.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183896;MM183896;Cc1c(N)oc(N)c1F;VOLSBEMZZWGEMG-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183897;MM183897;Cc1c(N)oc(F)c1F;JEYTYRZVUHNGRH-UHFFFAOYSA-N;133.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183898;MM183898;Cc1c(O)oc(N)c1F;WFFNZOHIHMFOAZ-UHFFFAOYSA-N;131.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183899;MM183899;CCc1nc(=NN)o[nH]1;RZYZFTHWZMIRLS-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183900;MM183900;Cc1oc(F)c(C)c1F;AFTRGQDQBGOXRC-UHFFFAOYSA-N;132.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183901;MM183901;Cc1c(F)oc(N)c1F;KHDCSEFYHJRPBZ-UHFFFAOYSA-N;133.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183902;MM183902;O=c1[nH]nc(F)c(=O)o1;FOVMSKUFLSAEMH-UHFFFAOYSA-N;132.05;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183903;MM183903;Cc1c(F)oc(F)c1F;APRORLZLKXLATI-UHFFFAOYSA-N;136.07;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183904;MM183904;Cc1oc(C)c(N)c1N;ZXPYGAGCYRLKLV-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183905;MM183905;Cc1oc(N)c(N)c1N;BTSQIAYWIKJWGA-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183906;MM183906;Cc1oc(O)c(N)c1N;WESQFJVXTOFJNL-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183907;MM183907;Cc1oc(F)c(N)c1N;NXEMHIPJGUBQIO-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183908;MM183908;Nc1oc(N)c(N)c1N;WOHZWJJTCARTKY-UHFFFAOYSA-N;128.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183909;MM183909;Nc1oc(O)c(N)c1N;SLKAWFLYJDDAMG-UHFFFAOYSA-N;129.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183910;MM183910;Nc1oc(F)c(N)c1N;DGZAXHXYBAHRHG-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183911;MM183911;Nc1c(O)oc(O)c1N;OUHUBCOHIAMTIW-UHFFFAOYSA-N;130.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183912;MM183912;Nc1c(O)oc(F)c1N;NYFXDLWAGASCCN-UHFFFAOYSA-N;132.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183913;MM183913;Nc1c(F)oc(F)c1N;PUUNWGPOUQSKJU-UHFFFAOYSA-N;134.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183914;MM183914;O=Cc1cn(O)c(=O)o1;GTJFNKJVYWEONA-UHFFFAOYSA-N;129.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183915;MM183915;C=Cn1nnc(=O)n1O;FVAVERVGRHNMHQ-UHFFFAOYSA-N;128.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183916;MM183916;Cc1nn(C=O)c(=O)n1O;SJHDFUZKVDUGBU-UHFFFAOYSA-N;143.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183917;MM183917;O=c1cc(F)nnn1O;XMUJJWAMEWXVIR-UHFFFAOYSA-N;131.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183918;MM183918;O=c1occn(O)c1=O;HXDOGYFJXIVEMJ-UHFFFAOYSA-N;129.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183919;MM183919;C=c1oc(=CF)n(O)c1=O;JYLCFLPRZCNBGW-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183920;MM183920;C#CCc1nc(=O)n(O)[nH]1;POAYMSNBFATNQT-UHFFFAOYSA-N;139.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SNda";;;;;;;-1.11;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183921;MM183921;Cc1oc(C)c(F)c1N;SFQXLZQXOIENLL-UHFFFAOYSA-N;129.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183922;MM183922;Cc1oc(N)c(F)c1N;VEJTUJRCWMNFFZ-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183923;MM183923;Cc1oc(F)c(F)c1N;RRLKTTYIVZKGEJ-UHFFFAOYSA-N;133.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183924;MM183924;Cc1oc(N)c(N)c1F;NYICDXQZXBTQBC-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183925;MM183925;CC(C)C(C)(C)C(=O)NN;OMYMGZCSDRMAGM-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183926;MM183926;Nc1oc(F)c(F)c1N;BKJDVFLJKYRZBD-UHFFFAOYSA-N;134.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183927;MM183927;Cc1oc(O)c(N)c1F;NCRKKRZNQVKTIT-UHFFFAOYSA-N;131.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183928;MM183928;Nc1oc(O)c(N)c1F;MPRMQHBOQHACRT-UHFFFAOYSA-N;132.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183929;MM183929;Cc1oc(F)c(N)c1F;UJIVQBGUEWZJGY-UHFFFAOYSA-N;133.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183930;MM183930;Nc1oc(F)c(N)c1F;RWQHMVNANAMFOQ-UHFFFAOYSA-N;134.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183931;MM183931;Cc1[nH]n(C)c(=O)c1O;KUNCHLIMJWJEJX-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183932;MM183932;Nc1c(F)oc(F)c1F;MOMUCYAMGHTHEH-UHFFFAOYSA-N;137.06;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183933;MM183933;CCNC(=O)C(C#N)=NO;LVAARBLGRAOPBS-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183934;MM183934;Nc1oc(F)c(F)c1O;MOGPJMYUOGCJRJ-UHFFFAOYSA-N;135.07;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183935;MM183935;CN=c1nc(N)oc(=O)[nH]1;GKXJTUMOSJIWMZ-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183936;MM183936;Cn1c(F)c(O)oc1=NO;QZXGVDBGRIUDJO-UHFFFAOYSA-N;148.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183937;MM183937;CN=c1n(C)oc(=O)n1O;QGPCITTWGRFKNJ-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183938;MM183938;CCONC(=O)C=NNC;KYPWIQSIOOTCHQ-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183939;MM183939;Cn1c(O)ncnc1=NO;JWBSYSUGTDIQAW-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183940;MM183940;C=NOC(=NO)C(=O)CO;DCADMKNZVQTSRQ-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183941;MM183941;N=CNc1ncc(O)o1;MNFWJBSHHIRNIL-UHFFFAOYSA-N;127.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183942;MM183942;Nc1c(O)[nH]n(N)c1=NO;DDLUILZOYGCWGX-UHFFFAOYSA-N;145.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183943;MM183943;N=c1[nH]c(=NN)n(O)o1;PCYCKOCHVLHINI-UHFFFAOYSA-N;131.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183944;MM183944;Cn1c(O)coc(=O)c1=O;ZEGGVKKPPZNTMN-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183945;MM183945;Cc1c(O)c(=O)[nH]oc1=O;LGBLZSPMOUWSRK-UHFFFAOYSA-N;143.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183946;MM183946;Nc1non(O)c1=O;DPIRHSBSPUQRHN-UHFFFAOYSA-N;117.06;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183947;MM183947;CNc1non(O)c1=O;DMTDQAMRYDUVJS-UHFFFAOYSA-N;131.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183948;MM183948;Cn1c(O)c(F)ccc1=O;OLIDXDGFSNGUJB-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183949;MM183949;CC(=O)NC(=O)NNC=O;ZTSRHDMCXMDAJL-UHFFFAOYSA-N;145.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183950;MM183950;CONC(=O)C(=CF)OC;WQZNONXBPKBZJL-UHFFFAOYSA-N;149.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183951;MM183951;Cc1oc(C)c(F)c1F;WTQJKRFACSDNGP-UHFFFAOYSA-N;132.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183952;MM183952;Cc1oc(N)c(F)c1F;GFZOYBGAQYNIKH-UHFFFAOYSA-N;133.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183953;MM183953;N#Cc1coc(O)c1;XGLIIRLWNVWDBI-UHFFFAOYSA-N;109.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183954;MM183954;Cc1oc(F)c(F)c1F;LAVIPWITSCYMKG-UHFFFAOYSA-N;136.07;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183955;MM183955;Nc1oc(N)c(F)c1F;YXAUMQRVSBYHOA-UHFFFAOYSA-N;134.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183956;MM183956;Nc1oc(F)c(F)c1F;HIDQULXZDPGMTI-UHFFFAOYSA-N;137.06;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183957;MM183957;Nc1c(F)oc(O)c1O;AKNFIUDYWLAKMF-UHFFFAOYSA-N;133.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183958;MM183958;Nn1nnn(O)c1=O;HTLRBWOBZAUXTC-UHFFFAOYSA-N;117.07;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183959;MM183959;Fc1oc(F)c(F)c1F;ATBJTIJUTXNSHP-UHFFFAOYSA-N;140.04;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183960;MM183960;CC1=C(C)C(C)CC1C;LLRNTHQIKKSPMF-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183961;MM183961;CC1=C(C)C(N)CC1C;RZBCARVKNQDCEW-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183962;MM183962;CC(C)C(C)(C)NNC=O;QCZXPMXNKHQOAK-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183963;MM183963;CC1=C(C)C(F)CC1C;QDOUMGNOLBHXFK-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183964;MM183964;CC1=C(C)C(N)CC1N;FUQWZKHTTUCFMA-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183965;MM183965;CC1=C(C)C(O)CC1N;VTCUJYAMMDLRAR-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183966;MM183966;CC1=C(C)C(O)CC1O;WQJJKGNZBBUGTF-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183967;MM183967;CC1=C(F)C(C)CC1C;CHVAALGHBBRQFJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183968;MM183968;CC1=C(F)C(C)CC1N;UIWHDUYFSGFBCI-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183969;MM183969;CC1=C(F)C(C)CC1O;ATLOLUZXBLIQNL-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183970;MM183970;CC1=C(F)C(C)CC1F;GGMDLKCSNOWWCN-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183971;MM183971;CC1=C(C)C(C)NC1C;YNDWDJCHVNCDPQ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183972;MM183972;CC1=C(F)C(C)NC1C;SOPBDPGSMCORIH-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183973;MM183973;CC1=C(C)C(C)OC1C;JSDFMDISTKDSIX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183974;MM183974;CC1=C(F)C(C)OC1C;NWQATNQBUBDSTE-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183975;MM183975;C=C1CC(C)C(C)=C1C;VPUGXBCVDBUTNR-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183976;MM183976;CC1=C(C)C(C)CC1=O;QJQNTXCURBPBOK-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183977;MM183977;C=C1CC(N)C(C)=C1C;KNHZUQWUQYXGRY-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183978;MM183978;CNN=CN(C)NC(C)=O;ALRLWLLBNJIKIN-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183979;MM183979;CC1=C(C)C(O)CC1=O;ATQJBPFRWRKKDL-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183980;MM183980;C=C1CC(F)C(C)=C1C;IIUQNSGUTJKOKP-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183981;MM183981;C=C1CC(C)C(C)=C1F;SOAKSLGVVXXEBR-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183982;MM183982;C=C1CC(N)C(C)=C1F;YZUJAFAODDUIDJ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183983;MM183983;C=C1CC(O)C(C)=C1F;JZEGUMFBEKAWTB-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183984;MM183984;C=C1CC(F)C(C)=C1F;XACUUCOWWYQZHL-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183985;MM183985;CC1=C(N)C(C)CC1=O;XDWBGIJUXYMEEH-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183986;MM183986;CC1=C(N)C(O)CC1=O;KHEFOFIMBVSDOE-UHFFFAOYSA-N;127.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183987;MM183987;C=C1CC(C)C(F)=C1C;VVDKIDGSCQTQHE-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183988;MM183988;CC1=C(F)C(C)CC1=O;LMQPIUXUVPHNJB-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183989;MM183989;C=C1CC(O)C(F)=C1C;OAEJMUNOFRMZAG-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183990;MM183990;CC1=C(F)C(O)CC1=O;QYFKMZXLNWJPDE-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183991;MM183991;CC1=C(C)C(C)NC1=N;DLRZUGCFFYXQEL-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183992;MM183992;CC1=C(C)C(C)NC1=O;NZDWUTZVYQNGMD-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183993;MM183993;CC1=C(N)C(C)NC1=N;LRUYYEKTIWKWTQ-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183994;MM183994;CC1=C(N)C(C)NC1=O;YODIHCZLTKXOMJ-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183995;MM183995;CC1=C(F)C(C)NC1=N;BOVXYRBBYKDCOB-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183996;MM183996;CC1=C(F)C(C)NC1=O;LWWFPYMPQRUOAK-UHFFFAOYSA-N;129.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183997;MM183997;C=C1OC(C)C(C)=C1C;ISJUGMRARYEIBN-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183998;MM183998;CC1=C(C)C(C)OC1=O;OSFZDFIHIYXIEL-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM183999;MM183999;CC1=C(N)C(C)OC1=O;PUEYHSZLVINUBI-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184000;MM184000;C=C1OC(C)C(F)=C1C;LFFCCSWDGASAAZ-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184001;MM184001;CC1=C(F)C(C)OC1=O;IYEYNINLKHOXGM-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184002;MM184002;Cc1c(O)cn(C)c1C;QFRMHYLTTVGKNL-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184003;MM184003;Cc1c(O)cn(C)c1N;MDRJMZGHCFINNC-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184004;MM184004;Cn1cc(O)c(F)c1N;YGZANLKJTUWLHM-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184005;MM184005;Cc1c(N)nn(C)c1C;ULKCEZJHKKBNKG-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184006;MM184006;O=c1c(=NO)ncon1O;PGLPDCFYMLTVSD-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184007;MM184007;Cc1c(N)nn(N)c1C;PPEPXLDZBUIPIW-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184008;MM184008;Nn1nc(CF)n(O)c1=O;RZPSPWANVWHMDL-UHFFFAOYSA-N;148.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184009;MM184009;Cc1c(N)nn(O)c1C;CGDDPZODTLXDTH-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184010;MM184010;COc1noc(O)c1N;NVMSNDZMWZIQBV-UHFFFAOYSA-N;130.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184011;MM184011;CC(C)OCC(O)C=NN;OFTICDJAHNRNLQ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184012;MM184012;N#Cc1nnc(N)[nH]c1=O;GTOCWLAJIAAGEG-UHFFFAOYSA-N;137.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184013;MM184013;CC(C)=CCCC(=O)NN;IUPATUVVNHMASE-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184014;MM184014;C#CCC(=NO)C(C)F;WZSQNCZFRQIOOQ-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184015;MM184015;Cc1c(N)c(N)nn1O;QHEJMRAGYSATTL-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184016;MM184016;CC(F)=C(C)C(CF)=NO;SOCQKKSQWGKUDS-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184017;MM184017;CCn1ncc(F)c1O;CZGRVADYVAAOFL-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184018;MM184018;NC(=O)C(O)(C=NO)CO;BWIYIWRGENTPAK-UHFFFAOYSA-N;148.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184019;MM184019;Cc1c(N)c(O)nn1C;RAVMVCJNQFLJPG-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184020;MM184020;C=CCC(C)CC(=O)NN;ZVGFZHNXACJPTD-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184021;MM184021;Nn1ncc(F)c1O;KFOHVYAIQQBQNI-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184022;MM184022;C=C(C)CCCNNC=O;ZAQNHULOKCKINE-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184023;MM184023;CN=CNC(=O)C#N;MZHZFTALYULEFN-UHFFFAOYSA-N;111.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184024;MM184024;Cc1c(F)c(N)nn1O;MWPFKPQZDRXDRX-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184025;MM184025;Cn1cnncoc(=O)[nH]1;WNFPAPTVOOJGMH-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184026;MM184026;Cc1c(N)nn(C)c1N;DBQHVDXNVUWFJA-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184027;MM184027;Cc1c(N)nn(N)c1N;IQXFWXPFAHVYEZ-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184028;MM184028;Cc1c(N)nn(O)c1N;SYZFZJSKCFFAKT-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184029;MM184029;C=CCOCC(O)C=NN;QNKZDAQZBIUREO-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184030;MM184030;Cn1[nH]c(=O)c(N)c1N;ZZRDEHPJSKUXFN-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184031;MM184031;CCNN=CC(O)COC;XDAMCGHASBQLJL-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184032;MM184032;Nc1nn(O)c(N)c1N;VDBQFSJOVZGFPP-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184033;MM184033;O=c1cc[nH]c(=NO)o1;NQVIVOLOKJXGOQ-UHFFFAOYSA-N;128.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184034;MM184034;Cc1nn(N)c(O)c1O;TWTZQXKLXGGGSI-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184035;MM184035;NN=c1on(N)c(O)c1F;JWNLQDOZINUBFW-UHFFFAOYSA-N;148.1;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184036;MM184036;COC(=NN)N(O)C(C)=N;QEKARJINNTVQCL-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184037;MM184037;Nn1c(O)c(O)ccc1=O;HLYWPMFAKLRRTO-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184038;MM184038;CCC(C)(CC)C(=O)NN;KZPGUJDLBPIWAZ-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184039;MM184039;Nn1c(O)cc(F)cc1=O;NUPKEEILXNUDLF-UHFFFAOYSA-N;144.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184040;MM184040;Nc1nn(O)c(N)c1F;DXHNGDNYVUCEPJ-UHFFFAOYSA-N;132.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184041;MM184041;NN=c1ccnc(O)n1O;SZYQCHYWNXTBPA-UHFFFAOYSA-N;142.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184042;MM184042;O=Cc1ncc(O)[nH]1;BMFCIIRWXUOFQW-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184043;MM184043;NNc1non(O)c1=O;FXUVERJDOBGTCD-UHFFFAOYSA-N;132.08;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184044;MM184044;NNc1cnc(=O)n(O)n1;UAKZPFIBPVRDEK-UHFFFAOYSA-N;143.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184045;MM184045;CN=c1[nH]c(C=O)nn1C;RJACGEXGOFNHHH-UHFFFAOYSA-N;140.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184046;MM184046;Cn1nc(N)c(N)c1O;FJKWJBRODHGLBG-UHFFFAOYSA-N;128.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184047;MM184047;O=c1[nH]c(O)c(O)[nH]1;UEICEPIJXFTXIC-UHFFFAOYSA-N;116.08;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184048;MM184048;Nc1nn(N)c(O)c1N;UWRIFTZOMMUTOF-UHFFFAOYSA-N;129.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184049;MM184049;CCCC(C=O)C(=O)C#N;HDKBTRIOYMWZLR-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184050;MM184050;Cc1cn(O)c(=O)c(=O)o1;YSTBOKRHRFKSRI-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184051;MM184051;O=c1ncon1O;WQGBQXOVAWXZSZ-UHFFFAOYSA-N;102.05;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184052;MM184052;Cc1c(F)cnc(=O)n1O;NDPGTTLQXSOLNS-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184053;MM184053;Cn1c(=NN)nn[nH]c1=O;YABOKURFYNCKOK-UHFFFAOYSA-N;142.12;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184054;MM184054;Oc1cc(F)n(O)c1F;SPVJKNYRKSVGAI-UHFFFAOYSA-N;135.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184055;MM184055;C=Cn1nnn(O)c1=O;WXUZBEGCKKUNRT-UHFFFAOYSA-N;128.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184056;MM184056;CONC(=O)C(C)(C)C=O;VKOXFUQVUHDVEX-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184057;MM184057;O=CC(F)C(=O)C#CCO;QSIQREDFCLUNJE-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184058;MM184058;Cc1c(O)[nH]n(C)c1=O;AKFWYRWGFNBBMH-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184059;MM184059;N=c1[nH]c(=O)oc(=O)n1O;QTCHYFWZCAPIJV-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184060;MM184060;N=c1n(O)cnc(=O)n1O;FVNNRJJJTPCPLA-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184061;MM184061;Nc1noc(=NO)[nH]c1=O;PPVWGKYDPPDUIY-UHFFFAOYSA-N;144.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184062;MM184062;C=C(C#N)C(F)C=NO;AKNYMUTVJVAHGV-UHFFFAOYSA-N;128.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184063;MM184063;CCC(C)(CC)NNC=O;QZACXGMXYRMAAZ-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184064;MM184064;CC(C)C(=NO)C(F)C=O;OYEGUJBREOSNET-UHFFFAOYSA-N;147.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184065;MM184065;C=CC(C)CCC(=O)NN;QNOBGLYNNRTJDN-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184066;MM184066;C=Cn1oc(=O)c(=O)n1O;WENUCIHYLCDQLN-UHFFFAOYSA-N;144.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184067;MM184067;Nn1cc(F)c(O)c1F;PTKRFTGROAPSRZ-UHFFFAOYSA-N;134.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184068;MM184068;C=C(CC)CCC(=O)NN;FHTBEZHVBOFABW-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184069;MM184069;N=Cn1oc(=O)c(=O)n1O;OHGYJAHCSWHCAM-UHFFFAOYSA-N;145.07;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184070;MM184070;N=C(CO)N(N)C(=O)CO;NUXWNQHOTFWKMB-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184071;MM184071;CC(=O)Oc1nc(=N)[nH]o1;LOMVUEMKXFHXKT-UHFFFAOYSA-N;143.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184072;MM184072;Nc1nn(O)c(F)c1N;XPVSEJLFGMVOHM-UHFFFAOYSA-N;132.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184073;MM184073;N=CNN=c1o[nH]c(=N)o1;YUNQKDXUTBJPHQ-UHFFFAOYSA-N;143.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184074;MM184074;Cn1c(O)c(F)[nH]c1=O;IHRZWQJTDFYXKX-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184075;MM184075;Cc1nc(=O)n(O)o1;NZEGPVCPONZYPE-UHFFFAOYSA-N;116.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184076;MM184076;Cn1ccc(=O)n(O)c1=O;UFPHNFLFZQSJQT-UHFFFAOYSA-N;142.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184077;MM184077;O=c1cc(O)c(=O)[nH]o1;MXGOYSMXRMQAGX-UHFFFAOYSA-N;129.07;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184078;MM184078;N#CCc1nc(=O)n(O)[nH]1;CFXLAKSVWOWZCJ-UHFFFAOYSA-N;140.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184079;MM184079;O=c1nccnn1O;YMJZUEMLNILJSW-UHFFFAOYSA-N;113.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184080;MM184080;COC(=N)N(O)C(C)=NN;OGPSGBKJDYIZMZ-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184081;MM184081;Cc1cnc(=O)n(O)n1;CLDPVVBKCHOXHW-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184082;MM184082;CCOCC(O)C=NNC;UMTWLQBMCVUKFT-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184083;MM184083;COn1ncn(O)c1=O;MRSOJRHXYBFSIV-UHFFFAOYSA-N;131.09;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184084;MM184084;O=CC(O)C(=O)C(=O)CF;YMROOLMYAVESRU-UHFFFAOYSA-N;148.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184085;MM184085;Cc1c(C)n(C)oc1=O;DPWBYIUCNUXITQ-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184086;MM184086;Cc1c(C)n(N)oc1=O;RRJHKROREOMJRY-UHFFFAOYSA-N;128.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184087;MM184087;Cc1c(C)n(O)oc1=O;NOLYYSHCQIHPSJ-UHFFFAOYSA-N;129.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184088;MM184088;Cc1c(N)c(=O)on1C;IFYXTAHAVXEZEL-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184089;MM184089;Cc1c(N)c(=O)on1N;JQFRTCPFFRIYRI-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184090;MM184090;Cc1c(N)c(=O)on1O;JENGOVSUZDSFQS-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184091;MM184091;Cc1c(O)c(=O)on1C;KSFLXVWDIPLDII-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184092;MM184092;Cc1c(O)c(=O)on1N;QYYDIBQEHYPNHK-UHFFFAOYSA-N;130.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184093;MM184093;Cc1c(O)c(=O)on1O;IDDJOOFJHNLIAT-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184094;MM184094;Cc1c(F)c(=O)on1C;NGODNXXIFZJYRQ-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184095;MM184095;Cc1c(F)c(=O)on1N;UBQFLIXIIGJYHZ-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184096;MM184096;Cc1c(F)c(=O)on1O;NXBNBDHISDZTFF-UHFFFAOYSA-N;133.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184097;MM184097;Cc1c(N)n(C)oc1=O;YKIRZFSNXMPQFI-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184098;MM184098;Cc1c(N)n(N)oc1=O;RNHFEJZDKOKLHQ-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184099;MM184099;Cc1c(N)n(O)oc1=O;MHYAFOKWTHKBMQ-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184100;MM184100;Cn1oc(=O)c(N)c1N;DBRFYEIWGBADHT-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184101;MM184101;Nc1c(N)n(N)oc1=O;LJZJFNYIXHLGKH-UHFFFAOYSA-N;130.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184102;MM184102;Nc1c(N)n(O)oc1=O;XINQWXOECXOLIS-UHFFFAOYSA-N;131.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184103;MM184103;Cn1oc(=O)c(O)c1N;AYQKHDHZLIKMRO-UHFFFAOYSA-N;130.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184104;MM184104;Nc1c(O)c(=O)on1N;KIQUIXNSRWYTCE-UHFFFAOYSA-N;131.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184105;MM184105;Nc1c(O)c(=O)on1O;FNQGXPSQECJVKM-UHFFFAOYSA-N;132.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184106;MM184106;Cn1oc(=O)c(F)c1N;YTKFAGMLCXEVDN-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184107;MM184107;C=CCCCCC(=O)NN;ZFELESLYHBKXCF-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184108;MM184108;Nc1c(F)c(=O)on1O;RMLVFBUBTVSYAK-UHFFFAOYSA-N;134.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184109;MM184109;C#CCC(=O)NOCOC;LCEBZAXZEIXWPA-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184110;MM184110;O=CNN=c1occ(O)o1;PZJZEBAURGYPCT-UHFFFAOYSA-N;144.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184111;MM184111;Cn1nn[nH]c1=O;AOKKGXXYBPBKDR-UHFFFAOYSA-N;100.08;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184112;MM184112;N#CC(=NO)C1CC(F)C1;OIIZZTDBTQGIPZ-UHFFFAOYSA-N;142.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184113;MM184113;N#CC(=NO)C1CC1CF;VLLVGTMTMULNCU-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184114;MM184114;O=CC(COCCF)=NO;BNYOHWQCSHQVFG-UHFFFAOYSA-N;149.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184115;MM184115;C=COC(=C)C(C#N)=NO;GLZOQGNQPPPZIQ-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184116;MM184116;N=c1n(O)c(=O)n(O)n1O;JHMRTPNTPOKIFM-UHFFFAOYSA-N;148.08;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184117;MM184117;Cc1c(F)n(C)oc1=O;YKPHKBOUMAHMLL-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184118;MM184118;Cc1c(F)n(N)oc1=O;FSSVYQKOGZBLLG-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184119;MM184119;Cc1c(F)n(O)oc1=O;KHTJZPOCEAPROU-UHFFFAOYSA-N;133.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184120;MM184120;Cn1oc(=O)c(N)c1F;XANFHPPEKBCWCM-UHFFFAOYSA-N;132.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184121;MM184121;Nc1c(F)n(N)oc1=O;YWJBAJKVPUWRHT-UHFFFAOYSA-N;133.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184122;MM184122;Nc1c(F)n(O)oc1=O;LFUHKUKRZVWZGO-UHFFFAOYSA-N;134.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184123;MM184123;Cn1oc(=O)c(F)c1F;DYXAMQCTQRNKQP-UHFFFAOYSA-N;135.07;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184124;MM184124;Nn1oc(=O)c(F)c1F;LCUWIOAWMVDORX-UHFFFAOYSA-N;136.06;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184125;MM184125;O=c1on(O)c(F)c1F;HTAWPKYREYKYHN-UHFFFAOYSA-N;137.04;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184126;MM184126;C=C1CC(=C)C(C)=C1C;AUIJYMADBMFMFR-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184127;MM184127;C=C1CC(=O)C(C)=C1C;CKZHDJRFQGYQNO-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184128;MM184128;CC1=C(C)C(=O)CC1=O;YQGIUSWLKDOUJQ-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184129;MM184129;C=C1CC(=O)C(C)=C1N;BRQFVEMYPASIEM-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184130;MM184130;CC1=C(N)C(=O)CC1=O;DZZQSMJVFVFKGP-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184131;MM184131;C=C1CC(=C)C(F)=C1C;IKTVWYNWVOZKAF-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184132;MM184132;C=C1CC(=O)C(F)=C1C;YMRDIKGNYQQREZ-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184133;MM184133;C=C1CC(=O)C(C)=C1F;PKKBOWNJOTYBNL-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184134;MM184134;CC1=C(F)C(=O)CC1=O;JJFJIYQFKMMREW-UHFFFAOYSA-N;128.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184135;MM184135;NC1=C(N)C(=O)CC1=O;PZPAIYYSRPVTRA-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184136;MM184136;NC1=C(F)C(=O)CC1=O;HXLDVJSRURWXOW-UHFFFAOYSA-N;129.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184137;MM184137;C=C1NC(=N)C(C)=C1C;MAMIDKIICKYSJO-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184138;MM184138;C=C1NC(=O)C(C)=C1C;JGYCTEAULHNLLJ-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184139;MM184139;CC1=C(C)C(=N)NC1=N;REAKFPKPSCGZET-UHFFFAOYSA-N;123.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184140;MM184140;CC=CCCCC(=O)NN;QFIIFOSLVSTBIK-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184141;MM184141;C=C1NC(=N)C(C)=C1N;CNGXBIUDIGHVFQ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184142;MM184142;CC1=C(N)C(=N)NC1=N;DGSLGPREPTYPIY-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184143;MM184143;CC1=C(N)C(=O)NC1=N;QEHBESSMVLXWMA-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184144;MM184144;C=C1NC(=O)C(C)=C1N;JNJGEICZCMVQLX-UHFFFAOYSA-N;124.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184145;MM184145;CCC=CCCC(=O)NN;JECMSIAUQXKGQQ-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184146;MM184146;CC1=C(N)C(=O)NC1=O;YIENYHALZYWJSX-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184147;MM184147;C=C1NC(=N)C(F)=C1C;RSZHCMHXASLGDY-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184148;MM184148;CC=NOC(CO)C(N)=O;QCNOZKOZLGIWDL-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184149;MM184149;CC1=C(F)C(=O)NC1=N;BERMRIUJEUQVAM-UHFFFAOYSA-N;128.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184150;MM184150;C=C1NC(=O)C(C)=C1F;XEEOBRKJSDAYCM-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184151;MM184151;CC1=C(F)C(=N)NC1=O;SOARPKFFBLACMY-UHFFFAOYSA-N;128.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184152;MM184152;CC1=C(F)C(=O)NC1=O;DNYDNQAMCILLKD-UHFFFAOYSA-N;129.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184153;MM184153;N=C1NC(=N)C(N)=C1N;WTYDOPRZCCUDEC-UHFFFAOYSA-N;125.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184154;MM184154;Cc1c(F)c(N)c(O)n1N;IQHWETVQANNYSS-UHFFFAOYSA-N;145.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184155;MM184155;NC1=C(N)C(=O)NC1=O;TWZLNDBZJIVZDI-UHFFFAOYSA-N;127.1;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184156;MM184156;CN=c1oc(=O)n(C)n1O;SPMNMMKBQHYAAQ-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184157;MM184157;N=C1NC(=O)C(N)=C1F;GBYLZOAAOQKXQR-UHFFFAOYSA-N;129.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184158;MM184158;C=c1oc(=C)c(C)c1C;RUTGFTDWJMXNKQ-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184159;MM184159;C=C1OC(=O)C(C)=C1C;VPSQRXIVSOPJBL-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184160;MM184160;CC1=C(C)C(=O)OC1=O;MFGALGYVFGDXIX-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184161;MM184161;C=C1OC(=O)C(C)=C1N;OGCHQMFKZCFRIZ-UHFFFAOYSA-N;125.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184162;MM184162;CC1=C(N)C(=O)OC1=O;SDKICQCMOKMSEF-UHFFFAOYSA-N;127.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184163;MM184163;C=c1oc(=C)c(F)c1C;GAHYVHSCAHJBID-UHFFFAOYSA-N;126.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184164;MM184164;C=C1OC(=O)C(C)=C1F;YZMDMIIHTSHUPV-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184165;MM184165;CC1=C(F)C(=O)OC1=O;IMHADFKPPWYNQJ-UHFFFAOYSA-N;130.07;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184166;MM184166;NC1=C(N)C(=O)OC1=O;KZCKUYSYAPKCTQ-UHFFFAOYSA-N;128.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184167;MM184167;C=c1oc(=C)c(F)c1F;TUTYSJJTBOJNJS-UHFFFAOYSA-N;130.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184168;MM184168;CC1=CC(C)C(C)=C1C;HIQTVHZKAQZJLI-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184169;MM184169;CC1=C(C)C(C)C=C1F;VSUXKKKRYMMZTJ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184170;MM184170;CC1=CC(N)C(C)=C1C;MJXGXTCIOPJATF-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184171;MM184171;CC1=C(C)C(N)C=C1F;IBGKCTXRGGNSEY-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184172;MM184172;CC1=CC(O)C(C)=C1C;JKZPRJQAJLTMPX-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184173;MM184173;CC1=C(C)C(O)C=C1F;MHKIQMIDYMLEPF-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184174;MM184174;CC1=CC(F)C(C)=C1C;TVABQVKTRJEBKQ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184175;MM184175;CC1=CC(C)C(C)=C1F;PAKBSZLWDHJOLC-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184176;MM184176;CC1=CC(N)C(C)=C1F;KRMCODHQPPCYDZ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184177;MM184177;CC1=CC(O)C(C)=C1F;AMWRDBMQCLUXSC-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184178;MM184178;CC1=CC(F)C(C)=C1F;DZQFMNHTLLTEEV-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184179;MM184179;CC1=CC(C)C(F)=C1C;AUUGTPUNKAWUIC-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184180;MM184180;CC1=C(F)C(C)C=C1F;STAIEKXSMMVGBC-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184181;MM184181;CC1=CC(O)C(F)=C1C;XSTBCHDPXHGIQI-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184182;MM184182;CC1=C(F)C(O)C=C1F;PITGTVYJRKTEIH-UHFFFAOYSA-N;132.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184183;MM184183;Cc1cn(C)c(C)c1C;RTNZJPRTDBSPHO-UHFFFAOYSA-N;123.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184184;MM184184;Cc1c(N)cn(C)c1C;CLJPMRSZYBQTRQ-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184185;MM184185;Cc1c(F)cn(C)c1C;IMMJGULTYQASTK-UHFFFAOYSA-N;127.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184186;MM184186;Cc1cn(N)c(C)c1C;ZROSLCXFRSHMOC-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184187;MM184187;Cc1c(N)cn(N)c1C;DJNUOGLKBCYXAL-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184188;MM184188;Cc1c(F)cn(N)c1C;GNXWBWAIOCNVSR-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184189;MM184189;Cc1cn(O)c(C)c1C;LSFVMLGYVJYFML-UHFFFAOYSA-N;125.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184190;MM184190;Cc1c(N)n(O)oc1=NN;OSODUFHNEQIADR-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184191;MM184191;Cc1c(F)cn(O)c1C;JDBZZDGZRUCOPI-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184192;MM184192;Cc1cn(C)c(C)c1N;SNCHQIHNFZZGLJ-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184193;MM184193;Cc1c(N)c(N)cn1C;BJDNKGQFVJQNNX-UHFFFAOYSA-N;125.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184194;MM184194;Cc1c(N)c(O)cn1C;SAQYWRMOTYRURS-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184195;MM184195;Cc1c(N)c(F)cn1C;FXUVVWXGKHXHPB-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184196;MM184196;Cc1cn(N)c(C)c1N;GRSYQCCFQUQOBB-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184197;MM184197;Cc1c(N)c(N)cn1N;PNTWBKRKNHZXQT-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184198;MM184198;Cc1c(N)c(F)cn1N;SWQFTYMSPPLRHM-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184199;MM184199;C=NN(C=N)C(=C)NC=O;GXZOMRLGPKSJHJ-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184200;MM184200;C=C1N(C=O)NC2CC12O;NUOGTHQRMFLMNL-UHFFFAOYSA-N;140.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184201;MM184201;Cc1c(N)c(F)cn1O;OTRKOVGTFZDZTD-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184202;MM184202;Cc1c(O)c(N)cn1C;ARONHYCSFLSFEB-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184203;MM184203;Cc1cn(C)c(C)c1F;OAVWKFDSJFPYMT-UHFFFAOYSA-N;127.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184204;MM184204;Cc1c(F)c(N)cn1C;DIEWJMJZWXFXBP-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184205;MM184205;Cc1c(F)c(F)cn1C;DBOXSAIBRIECPR-UHFFFAOYSA-N;131.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184206;MM184206;Cc1cn(N)c(C)c1F;BKMSIYSIUXYWNN-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184207;MM184207;Cc1c(F)c(N)cn1N;UMMAPUVDWJNDDX-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184208;MM184208;Cc1c(F)c(F)cn1N;DJTBZLNMQWETSF-UHFFFAOYSA-N;132.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184209;MM184209;Cc1cn(O)c(C)c1F;WGONDHNMXUWZOE-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184210;MM184210;Cc1c(F)c(N)cn1O;GZMNZVMZDMEPPC-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184211;MM184211;Cc1c(F)c(F)cn1O;IQQUTKSRGPUNGO-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184212;MM184212;Cc1cn(C)c(N)c1C;BSPALAWFDDFHPQ-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184213;MM184213;Cc1c(N)cn(C)c1N;PEYMUJLHXPRMKM-UHFFFAOYSA-N;125.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184214;MM184214;Cc1c(F)cn(C)c1N;GQFLZALCCXHJFR-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184215;MM184215;Cc1cn(N)c(N)c1C;HHUMVKGCUVFAHK-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184216;MM184216;Cc1c(N)cn(N)c1N;AXOPFOQFHYMZCT-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184217;MM184217;Cc1c(O)cn(N)c1N;IISHRSXUSQDXLH-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184218;MM184218;Cc1c(F)cn(N)c1N;KYRGYUKAAPUZFF-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184219;MM184219;C=Cc1nc(NCC)n[nH]1;JYZNJATVPUJASI-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184220;MM184220;COC1=CC=C(C=NN)C1;GIRDYFGDURMUQH-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184221;MM184221;Cc1c(F)cn(O)c1N;WSFMQIVCZNOVBX-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184222;MM184222;Cn1cc(F)c(N)c1N;QPPHUPWCDHGYCC-UHFFFAOYSA-N;129.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184223;MM184223;Nc1c(F)cn(N)c1N;BDDHUZGJTYFMIK-UHFFFAOYSA-N;130.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184224;MM184224;CC=Cc1nc(NC)n[nH]1;CCOHUAURPRCUHG-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184225;MM184225;C=CC1=CC=C(C=NN)C1;LLVJOQAOYSQVBL-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184226;MM184226;CCNc1n[nH]c(NC)n1;OLLGYGGICWIRJK-UHFFFAOYSA-N;141.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184227;MM184227;Cc1cn(C)c(N)c1O;CBNNJDUQPATPTO-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184228;MM184228;Cn1cc(N)c(O)c1N;GGLDIFXJLWSBFO-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184229;MM184229;Cn1cc(O)c(O)c1N;GPFAETVOBAPUGA-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184230;MM184230;Cn1cc(F)c(O)c1N;VXSKTKDLCKYDJR-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184231;MM184231;Cc1cn(N)c(N)c1O;WJDOGEYXTZLLLP-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184232;MM184232;Cc1cn(O)c(N)c1O;APYOSAKXNNPNRV-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184233;MM184233;Cc1cn(C)c(N)c1F;SCOVSCISYLVYMY-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184234;MM184234;Cn1cc(N)c(F)c1N;NTBNRJCOSBUUEL-UHFFFAOYSA-N;129.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184235;MM184235;Cn1cc(F)c(F)c1N;KUESHQJXQSEHEV-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184236;MM184236;Cc1cn(N)c(N)c1F;GIADQHMWAMURGW-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184237;MM184237;Nc1cn(N)c(N)c1F;IIVJUVPJSSLMCN-UHFFFAOYSA-N;130.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184238;MM184238;Nc1c(F)c(F)cn1N;YBUNNTICWXFGEK-UHFFFAOYSA-N;133.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184239;MM184239;Cc1cn(O)c(N)c1F;DDECOKLDRIROLO-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184240;MM184240;Nc1cn(O)c(N)c1F;JYRIZKIIUQNIEP-UHFFFAOYSA-N;131.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184241;MM184241;Nc1c(F)c(F)cn1O;YMIVDSIOKSMGKR-UHFFFAOYSA-N;134.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184242;MM184242;Cc1cn(C)c(O)c1C;ZEUWUONUTPSVLH-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184243;MM184243;Cc1c(N)cn(C)c1O;VRUDIEHVQBLSFO-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184244;MM184244;Cc1c(O)cn(C)c1O;JMFCPNGJDBKTHI-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184245;MM184245;Cc1c(F)cn(C)c1O;IHLOWBZENKOBGR-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184246;MM184246;Cc1cn(N)c(O)c1C;VCWVKCCXVXFGMH-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184247;MM184247;Cc1c(N)cn(N)c1O;VHQHEYGEDOMQPX-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184248;MM184248;Cc1c(F)cn(N)c1O;ZJISQJBPSFQACS-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184249;MM184249;Cc1cn(O)c(O)c1C;HOJAYMZMFFJBGK-UHFFFAOYSA-N;127.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184250;MM184250;Cc1c(N)cn(O)c1O;WQZZNTFZYWPHFQ-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184251;MM184251;Cc1c(F)cn(O)c1O;OISZQSJRZKXYPQ-UHFFFAOYSA-N;131.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184252;MM184252;Cc1cn(C)c(O)c1N;PCMXFOMDTODANG-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184253;MM184253;Cn1cc(N)c(N)c1O;XOVZPGLQSFHDLS-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184254;MM184254;Cn1cc(O)c(N)c1O;QFQZJOVPDUFHHR-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184255;MM184255;Cn1cc(F)c(N)c1O;MKDAORZWDRDOIL-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184256;MM184256;NN=CC1=CCC(CO)=C1;CEPSPMMKYSPZHB-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184257;MM184257;CN=c1c(F)c(F)on1O;APRBWKBJDGBDTJ-UHFFFAOYSA-N;150.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184258;MM184258;CNc1cc(=NN)on1O;PGASCYRURUGQMM-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184259;MM184259;Cc1cn(O)c(O)c1N;WLTAOAJPXAQBEV-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184260;MM184260;Nc1cn(O)c(O)c1N;FNEKUYNANHKNCL-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184261;MM184261;Nc1c(F)cn(O)c1O;OQUDJFIJRPPIDH-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184262;MM184262;Cc1cn(C)c(O)c1O;HAHXQKYUDIFOMR-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184263;MM184263;Cc1cn(C)c(O)c1F;ZJJRKTBQNKVIAF-UHFFFAOYSA-N;129.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184264;MM184264;Cn1cc(N)c(F)c1O;OFTOXTARQLSCFV-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184265;MM184265;Cn1cc(F)c(F)c1O;QKKCRLVJGMYNOJ-UHFFFAOYSA-N;133.1;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184266;MM184266;Cc1cn(N)c(O)c1F;GIEXHKGDUHPYLL-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184267;MM184267;Nc1cn(N)c(O)c1F;FQALXWCYVUVYKW-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184268;MM184268;Nn1cc(F)c(F)c1O;JDIJJAFWNSOOQM-UHFFFAOYSA-N;134.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184269;MM184269;Cc1cn(O)c(O)c1F;YLXOIVBQXFXZMR-UHFFFAOYSA-N;131.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184270;MM184270;Nc1cn(O)c(O)c1F;FSSNWNYFGJKOCU-UHFFFAOYSA-N;132.09;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184271;MM184271;C#CC(C)C(CF)=NO;BHFZPEMCKGNKKP-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184272;MM184272;Oc1c(F)c(F)cn1O;BPTQMXILNFMZAZ-UHFFFAOYSA-N;135.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184273;MM184273;Cc1cn(C)c(F)c1C;PWBGHKLJNJKWAF-UHFFFAOYSA-N;127.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184274;MM184274;Cc1c(N)cn(C)c1F;LVHVXTFBLUXMEM-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184275;MM184275;Cc1c(F)cn(C)c1F;RRUWGMIJZAIQRX-UHFFFAOYSA-N;131.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184276;MM184276;Cc1cn(N)c(F)c1C;PVIFKMGQHJGDRR-UHFFFAOYSA-N;128.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184277;MM184277;Cc1c(N)cn(N)c1F;OVFWKJWGKLJUEF-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184278;MM184278;Cc1c(F)cn(N)c1F;PGDJNSQENKCZKJ-UHFFFAOYSA-N;132.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184279;MM184279;Cc1cn(O)c(F)c1C;COWHHEYLAMFEIQ-UHFFFAOYSA-N;129.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184280;MM184280;Cc1c(N)cn(O)c1F;VSFSIEIELKHKBX-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184281;MM184281;Cc1c(F)cn(O)c1F;DQKLIWKSVWCRDP-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184282;MM184282;Cc1cn(C)c(F)c1N;RRLUTVHDRWJWFZ-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184283;MM184283;Cn1cc(N)c(N)c1F;SJSGQCCOXIDDJA-UHFFFAOYSA-N;129.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184284;MM184284;Cn1cc(F)c(N)c1F;XOWQEFGVVKEEFI-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184285;MM184285;Cc1cn(N)c(F)c1N;BQEJYJNDIKBSIN-UHFFFAOYSA-N;129.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184286;MM184286;Nc1cn(N)c(F)c1N;JNELKLUWJJXKKP-UHFFFAOYSA-N;130.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184287;MM184287;C=Cc1cnn(O)c1O;SZQPCEQJVNVIEJ-UHFFFAOYSA-N;126.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184288;MM184288;C=Cc1[nH]nc(NO)c1N;ONOXPNZVULTQSY-UHFFFAOYSA-N;140.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184289;MM184289;Cc1cn(O)c(F)c1N;GKEXFEWNODKVJP-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184290;MM184290;Nc1cn(O)c(F)c1N;XOQXMFUJOSZHNL-UHFFFAOYSA-N;131.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184291;MM184291;C=CCN=CNC(=O)C#N;BKXVTYIXCJEHNJ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184292;MM184292;Nc1c(F)cn(O)c1F;UPJMLBPDZKQVCI-UHFFFAOYSA-N;134.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184293;MM184293;N=c1c(=O)n(O)cnn1O;ISAFLHMTRVQINE-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184294;MM184294;C=Cn1cc(O)c(C)n1;VCKAEVQIHUPAGM-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184295;MM184295;Cn1n(O)c(=O)c(=O)n1O;BOVUJIBFPALGFB-UHFFFAOYSA-N;147.09;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184296;MM184296;C=NOCCC(C#N)=NO;YKXUZUGBWPKJGY-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184297;MM184297;N=Cn1nnc(N)c1O;VQGLRWIDODAZSH-UHFFFAOYSA-N;127.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184298;MM184298;CN=c1[nH]c(O)cc(=O)o1;ZIPRCJPAEMYMME-UHFFFAOYSA-N;142.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184299;MM184299;Cc1cn(C)c(F)c1F;CIRDPNOOZZXGLU-UHFFFAOYSA-N;131.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184300;MM184300;Cn1cc(N)c(F)c1F;FJIHSOIJINBNGU-UHFFFAOYSA-N;132.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184301;MM184301;Cn1cc(F)c(F)c1F;FYHDKRJVRBSZJL-UHFFFAOYSA-N;135.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184302;MM184302;Cc1cn(N)c(F)c1F;XRBCSUDLJNYNNI-UHFFFAOYSA-N;132.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184303;MM184303;Nc1cn(N)c(F)c1F;NQXUUHYVNMYAGX-UHFFFAOYSA-N;133.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184304;MM184304;O=c1[nH]c(O)co1;COCAYFSBKVLUFY-UHFFFAOYSA-N;101.06;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184305;MM184305;Nn1cc(F)c(F)c1F;AVYHBNWFEPCWMU-UHFFFAOYSA-N;136.08;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184306;MM184306;Cc1cn(O)c(F)c1F;CBLCVWQWXJXFCB-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184307;MM184307;Nc1cn(O)c(F)c1F;RLMUZDMDLSRTJF-UHFFFAOYSA-N;134.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184308;MM184308;Cn1c(F)c(O)[nH]c1=O;LWTQDBSCELVASB-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184309;MM184309;On1cc(F)c(F)c1F;MFRFWJLGNNMYLN-UHFFFAOYSA-N;137.06;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184310;MM184310;Cc1nn(C)c(C)c1C;DUAZFYUNWBILMU-UHFFFAOYSA-N;124.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184311;MM184311;Cc1c(F)nn(C)c1C;GTOPXLDWIVABOQ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184312;MM184312;Cc1nn(N)c(C)c1C;CIMIWVAGPUPKBZ-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184313;MM184313;Cc1c(F)nn(N)c1C;QNUCCNIVNWFGAK-UHFFFAOYSA-N;129.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184314;MM184314;Cc1nn(O)c(C)c1C;MKWNKODRAYKSIS-UHFFFAOYSA-N;126.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184315;MM184315;Cc1c(F)nn(O)c1C;MXWBNCQBJZUGPF-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184316;MM184316;Cc1nn(C)c(C)c1N;SSDGMKHZMNTWLS-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184317;MM184317;CCC=CCCNNC=O;DSBURTWZRRSHLV-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184318;MM184318;Cc1nn(N)c(C)c1N;JRFOVOOKZCVSJN-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184319;MM184319;Nc1cc(N)c(O)[nH]1;MCLOFONIWXTUPY-UHFFFAOYSA-N;113.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184320;MM184320;Cc1nn(O)c(C)c1N;DVSSKSJUUJIREC-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184321;MM184321;Cc1c(N)c(F)nn1O;GKURTPGYMHJTRE-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184322;MM184322;O=CC(F)C(=O)C#CCF;XXLSSXRVPWHSSM-UHFFFAOYSA-N;146.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184323;MM184323;CCc1nc(=O)n(O)o1;PPESRJWQDXAGRX-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184324;MM184324;C#CCc1nc(=O)n(O)o1;NXOVMIQJOQOIQE-UHFFFAOYSA-N;140.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184325;MM184325;Cc1coc(=O)c(=O)n1O;GCWRNIUXBHMKNI-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184326;MM184326;Cc1c(C=O)oc(=O)n1O;MSISXDLWXYRZGM-UHFFFAOYSA-N;143.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184327;MM184327;Cc1nn(C)c(C)c1F;RBXNHSKNQYJIOB-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184328;MM184328;Cc1c(F)c(F)nn1C;UQXGBZTZYLKXLW-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184329;MM184329;Cc1nn(N)c(C)c1F;CMPUEFPNWHMECX-UHFFFAOYSA-N;129.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184330;MM184330;Cc1c(F)c(F)nn1N;PRCQCRHLGJGKME-UHFFFAOYSA-N;133.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184331;MM184331;Cc1nn(O)c(C)c1F;GSIYQCLAHQXFHQ-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184332;MM184332;Cc1c(F)c(F)nn1O;HXROZTRYCXZLSV-UHFFFAOYSA-N;134.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184333;MM184333;Cc1nn(C)c(N)c1C;RXNRZXTWCRTHPR-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184334;MM184334;Cc1c(F)nn(C)c1N;XGDUASDXFSXYKB-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184335;MM184335;Cc1nn(N)c(N)c1C;WUKUXPJJHFCBRN-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184336;MM184336;Cc1c(F)nn(N)c1N;DPFNIIDAMVRGOZ-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184337;MM184337;Cc1nn(O)c(N)c1C;DEWOVYXIXBBBQT-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184338;MM184338;Cc1c(F)nn(O)c1N;PMEIMFWTPMIEFF-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184339;MM184339;Cc1nn(C)c(N)c1N;BRMHZFZMBVIHMO-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184340;MM184340;CN1CC1C(O)CF;FMOWPFDJVQQCKF-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184341;MM184341;Cc1nn(N)c(N)c1N;HADAMGMPIUPKMD-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184342;MM184342;OC1C(O)C1N1CC1;RNKWWAAJDWGBIK-UHFFFAOYSA-N;115.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184343;MM184343;Cc1nn(O)c(N)c1N;WOLDMBFBIYMJLQ-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184344;MM184344;Nc1c(F)nn(O)c1N;WBWRUROHMCSKTL-UHFFFAOYSA-N;132.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184345;MM184345;O=c1cncc(F)n1O;ISWDYSCHMVABNN-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184346;MM184346;Cn1cnc(=O)c(F)c1O;CUOUHZMOMJGMTH-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184347;MM184347;CCc1cnc(=O)n(O)n1;JKDLQUOGEWREFU-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184348;MM184348;Cc1cnn(O)c(=O)n1;ZWTAJUREKWAAIO-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184349;MM184349;Cc1nc(=O)n(O)nc1C;ZOSBSTGCJHQOQN-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184350;MM184350;Cc1nn(C)c(N)c1F;FLUKBSYSJHBUNC-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184351;MM184351;Cn1nc(F)c(F)c1N;ZGUROPUXSCNRCM-UHFFFAOYSA-N;133.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184352;MM184352;Cc1nn(N)c(N)c1F;QWZQZASAOIWHKN-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184353;MM184353;Nc1c(F)c(F)nn1N;KSAOPGJKSXMYIQ-UHFFFAOYSA-N;134.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184354;MM184354;Cc1nn(O)c(N)c1F;KAMUJOLCYIYDBU-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184355;MM184355;CCc1cnn(O)c(=O)n1;VHGIIXBGAFFRBW-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184356;MM184356;O=c1nc(O)c(O)cn1O;VRBXJOCAPNULIH-UHFFFAOYSA-N;144.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184357;MM184357;C=C1C=CC(C#N)C1=O;PILBTVVLJHPWTM-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184358;MM184358;C=Cn1oc(=N)n(O)c1=O;VPQHOVSJRUDAAA-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184359;MM184359;Cc1nn(C)c(O)c1N;FUIODCQSWQSJDP-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184360;MM184360;Cc1nn(N)c(O)c1N;CBJGTXJBVPLUAN-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184361;MM184361;C=Cc1cnn(O)c(=O)n1;RGYOAYJEPKLPCB-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184362;MM184362;Cn1c(O)cc(=O)nc1O;HUMSUAIRAJXARC-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184363;MM184363;COc1coc(=O)n1O;YXRCUDWKTYUQOA-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184364;MM184364;C=Cc1cnc(=O)n(O)n1;ZLXLRELAWADZBB-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184365;MM184365;CCn1[nH]c(C)c(O)c1=O;ZJPQULQPPKWYQB-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184366;MM184366;O=c1ncc(CO)nn1O;PZALVKWJUHJGGP-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184367;MM184367;O=c1nc(CO)cnn1O;VEVJVJZZPHTVIZ-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184368;MM184368;CCc1nnn(O)c1F;DLELKVYLXVBEBW-UHFFFAOYSA-N;131.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184369;MM184369;C=Nn1ncn(O)c1=O;NODWLCJCPPWCFM-UHFFFAOYSA-N;128.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184370;MM184370;COCC(COC=O)=NO;REWPTIGBPRGUQD-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184371;MM184371;C#CC(O)(C=NO)CC#N;XTIWGYQMDKUBAZ-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184372;MM184372;Cc1nn(C)c(F)c1C;ZRHZIAUHJZFNNV-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184373;MM184373;Cc1c(F)nn(C)c1F;BGDUOLQONCFGJN-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184374;MM184374;Cc1nn(N)c(F)c1C;ZFIWFBMSYNVMOP-UHFFFAOYSA-N;129.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184375;MM184375;Cc1c(F)nn(N)c1F;WVCMEPFEOQPGIG-UHFFFAOYSA-N;133.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184376;MM184376;CON=CN(C)NC=O;NLDDZCMINFLSPD-UHFFFAOYSA-N;131.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184377;MM184377;Cn1nc(F)c(N)c1F;SIIFSCVTYMZHHK-UHFFFAOYSA-N;133.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184378;MM184378;Cn1c(=O)oc(=N)n1O;CJLQLNGMAABDAO-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184379;MM184379;N=c1c(F)c(F)on1O;OECQVWYKTPMRNS-UHFFFAOYSA-N;136.06;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184380;MM184380;Cc1nn(O)c(F)c1N;LORRIMNFXNEUSV-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184381;MM184381;NN=c1o[nH]c(O)c1F;HFGGDALZETWTRD-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184382;MM184382;C=CC(F)(C=NN)C=NO;CKYATWOUOVRYHE-UHFFFAOYSA-N;145.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184383;MM184383;NN=c1oc(O)c(F)n1N;RWFXFPSIVFGSAS-UHFFFAOYSA-N;148.1;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184384;MM184384;CNn1oc(=O)n(O)c1=N;CQOXYLYEYZJDFR-UHFFFAOYSA-N;146.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184385;MM184385;O=c1nc(CF)on1O;VJPJHVKJUNSQGN-UHFFFAOYSA-N;134.07;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184386;MM184386;C=Cc1nc(=O)n(O)o1;BKUNNHXTBIYSQA-UHFFFAOYSA-N;128.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184387;MM184387;Cc1nn(C)c(F)c1F;TXWXBMGIBGOMCQ-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184388;MM184388;Cn1nc(F)c(F)c1F;YSBOXIAEPKVZLS-UHFFFAOYSA-N;136.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184389;MM184389;Cc1nn(N)c(F)c1F;UJRGYFQIFHBSIY-UHFFFAOYSA-N;133.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184390;MM184390;Nn1nc(F)c(F)c1F;DKIAYMTYCSODLJ-UHFFFAOYSA-N;137.06;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184391;MM184391;O=c1nc(CF)cnn1O;LWYWIKPSDBRCAG-UHFFFAOYSA-N;145.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184392;MM184392;C=C1C=C(C)C(C)=C1C;LDSZDZJMKYMREH-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184393;MM184393;C=C1C=C(F)C(C)=C1C;BAOQEQLSMFZASC-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184394;MM184394;CC1=CC(=O)C(C)=C1C;IRYVWMDYRCTJHA-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184395;MM184395;CC1=C(C)C(N)=CC1=O;JGDUSUTUIFDQHO-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184396;MM184396;CC1=C(C)C(F)=CC1=O;NSDJXROVZQMGPQ-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184397;MM184397;CC1=CC(=O)C(C)=C1N;WLCWVDIFIDHFHW-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184398;MM184398;CC1=C(N)C(N)=CC1=O;RGJIWKAJVUGFIN-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184399;MM184399;CC1=C(N)C(F)=CC1=O;LRZLYBSBFQKMRP-UHFFFAOYSA-N;127.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184400;MM184400;C=C1C=C(C)C(F)=C1C;LEEXOTAMYFIXFY-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184401;MM184401;CC1=CC(=O)C(C)=C1F;DXNSKSWZZPJFKL-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184402;MM184402;CC1=C(F)C(N)=CC1=O;HIONTRVAPFQCMD-UHFFFAOYSA-N;127.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184403;MM184403;C=C1C=C(C)C(C)=C1F;XDRRSZSLRLOORE-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184404;MM184404;C=C1C=C(F)C(C)=C1F;DVHAEVPDMFYVCT-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184405;MM184405;CC1=CC(=O)C(F)=C1C;FKVMPEKXUJQIQH-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184406;MM184406;CC1=C(F)C(=O)C=C1N;PWNQLSIKVVXJOA-UHFFFAOYSA-N;127.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184407;MM184407;CC1=C(F)C(=O)C=C1F;WLIVQQZZEXTBMS-UHFFFAOYSA-N;130.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184408;MM184408;NC1=CC(=O)C(F)=C1N;HRDMSDXXNCVCIH-UHFFFAOYSA-N;128.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184409;MM184409;NC1=C(F)C(=O)C=C1F;LFJRTPYRGCVENS-UHFFFAOYSA-N;131.08;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184410;MM184410;CC1=NC(=N)C(C)=C1C;FXGZAJOZNOABCS-UHFFFAOYSA-N;122.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184411;MM184411;CC1=NC(=O)C(C)=C1C;YYKIHALFZZAGAJ-UHFFFAOYSA-N;123.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184412;MM184412;CC1=NC(=N)C(C)=C1N;XHTYICWOIOEZQV-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184413;MM184413;NN=c1cc(N)n(O)o1;HNBMBGBDKGDNCI-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184414;MM184414;CC1=NC(=N)C(C)=C1F;NXDOPDUPCNLUMB-UHFFFAOYSA-N;126.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184415;MM184415;CC1=NC(=O)C(C)=C1F;AXBQRVINZDTFIV-UHFFFAOYSA-N;127.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184416;MM184416;C#Cc1nc(C)c(C)[nH]1;MALGMRUNUQZUGL-UHFFFAOYSA-N;120.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184417;MM184417;OC(CF)C1NC1CF;YFFRIYDUAGUFPX-UHFFFAOYSA-N;137.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184418;MM184418;CC1=C(F)C(=N)C(=O)N1;ALNCHFXITWQNRZ-UHFFFAOYSA-N;128.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184419;MM184419;CC1=NC(=N)C(F)=C1C;XWULTZBJRSSZPG-UHFFFAOYSA-N;126.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184420;MM184420;CC1=NC(=O)C(F)=C1C;NKYDJJCAGPGCMX-UHFFFAOYSA-N;127.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184421;MM184421;CCN1CC1C(O)CF;QAVHMLVUNPNFSA-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184422;MM184422;CCC(C)CC1CC1C;IIARLVXKCAESIZ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184423;MM184423;CC(CN)CC1CC1C;AJRJIGWXAKGBIT-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184424;MM184424;C=C(C=NNC)NC(N)=O;DEAGBLMVGQYXFM-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184425;MM184425;CC(CF)CC1CC1C;LEPUVVDJKUNGIV-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184426;MM184426;CCC(N)CC1CC1C;SJKYUZHCJZOFAL-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184427;MM184427;CC1CC1CC(N)CN;DISAAHGJUGAXNA-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184428;MM184428;CC1CC1CC(N)CF;JGOMVFJUILSOCS-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184429;MM184429;C=NN(C)CC(O)C(C)F;NVEZPCBYLDBMOC-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184430;MM184430;CC1CC1CC(O)CN;VRLSYELCLURBRZ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184431;MM184431;CC1CC1CC(O)CO;IBJRVJWZMVWXQQ-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184432;MM184432;CC1CC1CC(O)CF;WWNARJVAMPMAKB-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184433;MM184433;CCC(F)CC1CC1C;WYWYOUUTZCRHJS-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184434;MM184434;CC1CC1CC(F)CN;OPELCZJAUXTVBZ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184435;MM184435;CC1CC1CC(F)CO;XYTWIOBTTQXENK-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184436;MM184436;CC1CC1CC(F)CF;FBYKMDMAPKEZED-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184437;MM184437;CCC(C)CC1CC1N;NLADDQAKBQMVSS-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184438;MM184438;CC(CN)CC1CC1N;UKWPLWDFRIHYQO-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184439;MM184439;CC(CF)CC1CC1N;ZQXNNQBLOZQSBL-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184440;MM184440;CCC(N)CC1CC1N;HUGVVONWCFGZRL-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184441;MM184441;NCC(N)CC1CC1N;MCAPYRTVQYAPQR-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184442;MM184442;NC(CO)CC1CC1N;GDTAJOBQJKBROS-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184443;MM184443;NC(CF)CC1CC1N;CWZKSJVXVBGNQP-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184444;MM184444;CCC(O)CC1CC1N;QPIJHOORFTVMGG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184445;MM184445;NCC(O)CC1CC1N;KSXCNFWTQRHKMU-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184446;MM184446;NC1CC1CC(O)CO;XWELWYHMGWYEJN-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184447;MM184447;NC1CC1CC(O)CF;NTYQLSZSUNGBHS-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184448;MM184448;CCC(F)CC1CC1N;AJELSRHPPFXXNV-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184449;MM184449;NCC(F)CC1CC1N;XNJKEAPPCFJHKR-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184450;MM184450;NC1CC1CC(F)CO;YVWRFNAPRMUPIC-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184451;MM184451;NC1CC1CC(F)CF;FHJFAVCHFVGVMR-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184452;MM184452;C=C(CO)NC(=O)N(C)N;DKWLFBGBVIBRGS-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184453;MM184453;CC(CN)CC1CC1O;NPOUAEQQPUNDEM-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184454;MM184454;C=C(C(F)F)C(O)C=NN;TVINNPRXQUKERI-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184455;MM184455;CCC(N)CC1CC1O;ADYKKOLOEDLQQH-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184456;MM184456;NCC(N)CC1CC1O;XAEDSCUUSPNLJJ-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184457;MM184457;NC(CO)CC1CC1O;UNBWGIMKCWDCLH-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184458;MM184458;NC(CF)CC1CC1O;RUSIUOWWHUJAPQ-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184459;MM184459;CCC(O)CC1CC1O;BDQPATRNSSMNLA-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184460;MM184460;NCC(O)CC1CC1O;FTUUUWVZOHIMIS-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184461;MM184461;OCC(O)CC1CC1O;GRKCBYMBMSFEIH-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184462;MM184462;OC(CF)CC1CC1O;PQDVDGLNMVXXHL-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184463;MM184463;CCC(F)CC1CC1O;YIWFWJNXSNAKCT-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184464;MM184464;NCC(F)CC1CC1O;UPFFPIBBMPYFMH-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184465;MM184465;OC1CC1CC(F)CF;ZNWULRZHKVYNOU-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184466;MM184466;CCC(C)CC1CC1F;DVMOCPPTUKKCRY-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184467;MM184467;CC(CN)CC1CC1F;WCWRDPGCJODTDI-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184468;MM184468;C=C(F)C(=C)C(O)C=NN;WMCRKJIEKQDCRV-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184469;MM184469;CCC(N)CC1CC1F;NDOBTHIIBPXXJN-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184470;MM184470;NCC(N)CC1CC1F;YUCLBTFCTWZDCI-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184471;MM184471;NC(CO)CC1CC1F;XNRCRBBXDRFLNF-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184472;MM184472;CCC(O)CC1CC1F;VNRFHHUSNSWALK-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184473;MM184473;NCC(O)CC1CC1F;SVMGKWHIOZVYPG-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184474;MM184474;OCC(O)CC1CC1F;MZLQLNMEIBVFOX-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184475;MM184475;OC(CF)CC1CC1F;ONCAKZKXMOUORY-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184476;MM184476;NCC(F)CC1CC1F;QKZAMEXRQFOXAC-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184477;MM184477;FCC(F)CC1CC1F;QGJFXSLJOJXMLQ-UHFFFAOYSA-N;138.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184478;MM184478;CNC(C)CC1CC1C;NVYXATFDXANFHN-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184479;MM184479;CNC(C)CC1CC1N;CDZUXJKJFJEPCS-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184480;MM184480;CNC(C)CC1CC1O;LMKFKTDWPWKYPN-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184481;MM184481;COC(C)CC1CC1N;FSQZJOOXJUIIBH-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184482;MM184482;COC(C)CC1CC1O;CNAQGGLIMTUKBP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184483;MM184483;COC(C)CC1CC1F;MPNBXCCVHBXDBW-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184484;MM184484;CCC(C)NC1CC1C;UJDPWBZVEFQPDF-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184485;MM184485;CC(CN)NC1CC1C;IRWPUMLSOQSVAP-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184486;MM184486;CC(CF)NC1CC1C;KKVBFZJBANSGKY-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184487;MM184487;CCC(C)NC1CC1N;SSRVDRDVHKMZFJ-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184488;MM184488;CC(CN)NC1CC1N;OZABLDTWKHCLSD-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184489;MM184489;CC(CF)NC1CC1N;GIDKVJCQTRSLBX-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184490;MM184490;CCC(C)NC1CC1O;PFBCAYUMMVSYQI-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184491;MM184491;CCC(C)NC1CC1F;JOKXPYFPOSPXRG-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184492;MM184492;CCC(C)OC1CC1C;SJYFAQOKOXDWCD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184493;MM184493;CC(CN)OC1CC1C;QOKSJTXAMDWKKF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184494;MM184494;CC(CO)OC1CC1C;FBDQNWRMZPBWCS-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184495;MM184495;CC(CF)OC1CC1C;YJROYPMGGWBMEM-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184496;MM184496;CCC(C)OC1CC1N;DVIGOSASZBBMEI-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184497;MM184497;CC(CN)OC1CC1N;BCDZDBOXPAMJTK-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184498;MM184498;CC(CO)OC1CC1N;LPPLSJXCDWKBEN-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184499;MM184499;CC(CF)OC1CC1N;SLNKEXYEIICQFE-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184500;MM184500;CCC(C)OC1CC1O;XAJZQGJKCLBBCV-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184501;MM184501;CC(CN)OC1CC1O;VUEYQDBWPXSBCY-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184502;MM184502;CC(CO)OC1CC1O;ITCCIXWUJQUMDC-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184503;MM184503;CC(CN)OC1CC1F;LLZHANVCBZEEFS-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184504;MM184504;CC(CO)OC1CC1F;BYUUWLWQZUSZAJ-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184505;MM184505;COC(C)OC1CC1C;LSRVRNAVEGFOCK-UHFFFAOYSA-N;130.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184506;MM184506;COC(C)OC1CC1N;QAZDQEWXDPDHTN-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184507;MM184507;COC(C)OC1CC1F;DXTPAGNLSOKGIX-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184508;MM184508;CCN(C)CC1CC1C;GPOWWOMNSANNDF-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184509;MM184509;CCN(C)CC1CC1N;DZXBZENWIGFLSX-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184510;MM184510;CCN(C)CC1CC1O;JQQXSDSMTLRMFX-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184511;MM184511;CCN(C)CC1CC1F;AWKDXLLQMRKCLQ-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184512;MM184512;CC(CN)CC1NC1C;UFUNAQUKUNLOFA-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184513;MM184513;CCC(N)CC1NC1C;ZWVSKPKMBIGHLN-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184514;MM184514;CC1NC1CC(N)CN;FHEUJICWXUKSIQ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184515;MM184515;CC1NC1CC(N)CO;ACVBQTCDHAHRJB-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184516;MM184516;CC1NC1CC(N)CF;YHSUUYXMOMSECZ-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184517;MM184517;CC1NC1CC(O)CN;XMWRDVWLKMPCCS-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184518;MM184518;CC1NC1CC(F)CN;MYOXDEQFHXNRJH-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184519;MM184519;CNC(C)CC1NC1C;XRTHVEPYRAUXMX-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184520;MM184520;CCN(C)CC1NC1C;NZSWHQMFTTWYNY-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184521;MM184521;CCC(C)CC1OC1C;GEQOWWDJRURNGD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184522;MM184522;CC(CN)CC1OC1C;NMHQPSOEQBKQHA-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184523;MM184523;CC(CO)CC1OC1C;ARTDGHWHXJHFAX-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184524;MM184524;CC(CF)CC1OC1C;NAMDYKLWHDGSQB-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184525;MM184525;CCC(N)CC1OC1C;UFAWWEHALQTZQH-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184526;MM184526;CC1OC1CC(N)CN;WQDSZPILDUZZSS-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184527;MM184527;CC1OC1CC(N)CO;SMHILJSRFUEQQZ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184528;MM184528;CC1OC1CC(N)CF;TUTYZWPBQPCZMF-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184529;MM184529;CCC(O)CC1OC1C;OUDNYGXSYZNVPK-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184530;MM184530;CC1OC1CC(O)CN;RZMXQMRJJICTOP-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184531;MM184531;CC1OC1CC(O)CO;QSUOHOSAHUAOJU-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184532;MM184532;CC1OC1CC(O)CF;USSPWJUJQCAMIQ-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184533;MM184533;CCC(F)CC1OC1C;CJPIBFOUNQCARP-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184534;MM184534;CC1OC1CC(F)CN;AFABWSLDVPIXLM-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184535;MM184535;CC1OC1CC(F)CO;GFKWRHSWWVNNRO-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184536;MM184536;CC1OC1CC(F)CF;VUJBUCCUWFXSMU-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184537;MM184537;CNC(C)CC1OC1C;YNPPIDQBHRARIH-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184538;MM184538;COC(C)CC1OC1C;WBFZXXDAWGCPFN-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184539;MM184539;CCN(C)CC1OC1C;VHMIKGGZOSSWLN-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184540;MM184540;CC(CN)CC1CN1C;YMTOEINWDMMQLE-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184541;MM184541;CCC(N)CC1CN1C;JKDKFAMYEXFAMB-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184542;MM184542;CN1CC1CC(N)CN;LWQCHJKMMIKIEG-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184543;MM184543;CN1CC1CC(N)CO;LURZESFEBXDOAA-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184544;MM184544;CNN=c1cc(N)n(O)o1;UAZIVIUGCQEEJO-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184545;MM184545;CN1CC1CC(O)CN;XFIYQPPAFPGYEH-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184546;MM184546;N=c1c(=O)cc(F)on1O;YYIHTXCWXOACCG-UHFFFAOYSA-N;146.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184547;MM184547;C=NN1CCC(O)(CO)C1;QBJCQPJWNOCIQY-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184548;MM184548;CCC(F)CC1CN1C;YDYVKNORKAXEQQ-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184549;MM184549;CN1CC1CC(F)CN;CORPWXJPDRUDQJ-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184550;MM184550;CN1CC1CC(F)CF;ATSOFMLEUQUVRV-UHFFFAOYSA-N;135.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184551;MM184551;CNC(C)CC1CN1C;CMPCPEGJJSAPDN-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184552;MM184552;CCN(C)CC1CN1C;MJSKDDXKJQKEBV-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184553;MM184553;CC(CN)CN1CC1C;QTZRQYLSUOUVGL-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184554;MM184554;CCC(N)CN1CC1C;IEPOTCAGVUQEQE-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184555;MM184555;CC1CN1CC(N)CN;BAOGMFZQXGBSKB-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184556;MM184556;CC1CN1CC(N)CO;RMBFOCXWEWNRCA-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184557;MM184557;CC1CN1CC(O)CN;BDELHRSGXDHOMQ-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184558;MM184558;CNC(=O)N(N)C(=O)CO;VFQFMNIYVPOEDS-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184559;MM184559;C=NNCC(O)C(F)CC;ZCHJTMFQENQKQN-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184560;MM184560;CCC(F)CN1CC1C;FCZVHZODKPKZKC-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184561;MM184561;CC1CN1CC(F)CN;OIDFITCMEQJWGK-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184562;MM184562;NC=NN(C=O)C(=O)CO;HQPDQKAGUDJBSO-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184563;MM184563;CC1CN1CC(F)CF;ZOZCGQRYCQYVMO-UHFFFAOYSA-N;135.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184564;MM184564;CNC(C)CN1CC1C;PCCVICPYSZPMSQ-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184565;MM184565;C=CC(C)CC1CC1C;UJSVBVONRYOJCG-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184566;MM184566;CC(C=O)CC1CC1C;QZNIDVICAYAFIR-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184567;MM184567;CC(C#N)CC1CC1C;ZLSFRZGDJVCSER-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184568;MM184568;C=CC(N)CC1CC1C;SKFGRDMKHGMGAG-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184569;MM184569;Cn1c(=N)c(N)c(F)n1O;RPRLYHZSFHNZRU-UHFFFAOYSA-N;146.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184570;MM184570;CC1CC1CC(O)C=O;DTZAORIUUJTQNA-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184571;MM184571;CC1CC1CC(O)C#N;KQMAZPHSCACGOE-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184572;MM184572;C=CC(F)CC1CC1C;XOPDKVVUMAHMBR-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184573;MM184573;CC1CC1CC(F)C=O;PARVZZUVDLNTRQ-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184574;MM184574;CC1CC1CC(F)C#N;RGEREUGRANUQNH-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184575;MM184575;C=CC(C)CC1CC1N;DLJHVHPSHFNOOK-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184576;MM184576;C=CC(N)CC1CC1N;FTQIZCGTJFGOQL-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184577;MM184577;C=CC(O)CC1CC1N;YLWLYEZDHXOTJY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184578;MM184578;C=CC(F)CC1CC1N;KTNMKYKCJXZBOJ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184579;MM184579;C=Cn1oc(=O)c(=N)n1O;OTLUAHOWVJAQLH-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184580;MM184580;CC(C#N)CC1CC1O;MDCBVHBCHRILFQ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184581;MM184581;C=CC(N)CC1CC1O;VGTRUFRFQZQBAX-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184582;MM184582;N#CC(O)CC1CC1O;PMHSIXOVNRHPID-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184583;MM184583;C=CC(F)CC1CC1O;TZQSXFVMFBQRJM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184584;MM184584;O=CC(F)CC1CC1O;DPTJMZQBXZASHW-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184585;MM184585;N#CC(F)CC1CC1O;XJEZAGOIINGGLT-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184586;MM184586;C=CC(C)CC1CC1F;MEUSNTNFZNYDDK-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184587;MM184587;CC(C=O)CC1CC1F;CDLUHYRUIYSZSC-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184588;MM184588;CC(C#N)CC1CC1F;JRYREYHMMCJMPD-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184589;MM184589;C=CC(N)CC1CC1F;GIDDYMMWFCUHQC-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184590;MM184590;C=CC(O)CC1CC1F;FSEYEIWLFBZWCS-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184591;MM184591;O=CC(O)CC1CC1F;IDHHLBWQHYDXNE-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184592;MM184592;N#CC(O)CC1CC1F;WEPHOZGMGONWLZ-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184593;MM184593;C=CC(F)CC1CC1F;QARYOWGJQZXXID-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184594;MM184594;O=CC(F)CC1CC1F;ASDIMYJBJWPCIV-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184595;MM184595;N#CC(F)CC1CC1F;GNQVYCAGDYJDTM-UHFFFAOYSA-N;131.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184596;MM184596;C=CC(C)NC1CC1C;NADWAZHRMWFHJS-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184597;MM184597;CC(C=O)NC1CC1C;NSIVQUIKTBABHN-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184598;MM184598;CC(C#N)NC1CC1C;RMZIXDINWZVGOE-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184599;MM184599;C=CC(C)NC1CC1N;JAKHHCOZJYDDAH-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184600;MM184600;C=CC(C)NC1CC1O;RBOZUXFUSLVYJL-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184601;MM184601;NN=c1c(N)c(F)on1O;DOVMSFASQPZNEQ-UHFFFAOYSA-N;148.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184602;MM184602;CC(C#N)NC1CC1F;QVBFVWKNUPDSBI-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184603;MM184603;C=CC(C)OC1CC1C;CCVFPQCTUDWUDU-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184604;MM184604;CC(C=O)OC1CC1C;HPTGOIXRMATMET-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184605;MM184605;CC(C#N)OC1CC1C;WJYSYSMWVHDGDU-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184606;MM184606;C=CC(C)OC1CC1N;XXOOOODFBUBHHN-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184607;MM184607;C=CC(C)OC1CC1O;WGSHIUWXOKELCM-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184608;MM184608;CC(C=O)OC1CC1O;KEVAKMZNPHCHOV-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184609;MM184609;CC(C#N)OC1CC1O;YAZOYSZSDCJAHR-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184610;MM184610;CC1CC1CN(C)C=N;RXGLAGQJBCFILO-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184611;MM184611;CC1CC1CN(C)C=O;YZCKIESSXUYDRP-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184612;MM184612;CC1CC1CN(N)C=O;PPDHUKHBBOYXOJ-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184613;MM184613;CC1CC1CN(O)C=N;BSCBTAOWMJSRBV-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184614;MM184614;CC1CC1CN(O)C=O;UWOYMZFDOSDSOH-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184615;MM184615;CN(C=N)CC1CC1N;PXOBGWJBWIQODY-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184616;MM184616;N=CN(O)CC1CC1N;ZZZXPLPZIYYQOP-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184617;MM184617;CN(C=N)CC1CC1O;LLRIXMASMIQPFO-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184618;MM184618;CN(C=O)CC1CC1O;HEHHNYUNUQUXFU-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184619;MM184619;N=CN(N)CC1CC1O;WMXFOXPNQCJJND-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184620;MM184620;NN=c1c(F)c(N)on1O;MKCYISZNNWHQSU-UHFFFAOYSA-N;148.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184621;MM184621;N=CN(O)CC1CC1O;XNIQTKNFNDMLNQ-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184622;MM184622;O=CN(O)CC1CC1O;DKYHAXJGYOJMLN-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184623;MM184623;CN(C=N)CC1CC1F;VNUWAWXWGFXZNW-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184624;MM184624;N=CN(N)CC1CC1F;KAHQXAVCTGMNEI-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184625;MM184625;NN(C=O)CC1CC1F;XUMSLFVFXANDGL-UHFFFAOYSA-N;132.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184626;MM184626;N=CN(O)CC1CC1F;VCDVZBGININUTJ-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184627;MM184627;O=CN(O)CC1CC1F;YBYXPMJIRKGZFJ-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184628;MM184628;C=NN(C)CC1CC1C;FHAOPYVLEGFFQP-UHFFFAOYSA-N;126.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184629;MM184629;C=NN(C)CC1CC1N;DDISJJBLTIGBTM-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184630;MM184630;CN=c1nnnc(C)n1O;WSZYDLDCNSVBQU-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184631;MM184631;CC1CC1NN(C)C=N;VWFIWIPHOQQZBS-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184632;MM184632;CC1CC1NN(C)C=O;SSKUOSWPMSXZKO-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184633;MM184633;CN(C=N)NC1CC1N;SAWVMYLIVYSGBE-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184634;MM184634;CN(C=O)NC1CC1N;LNYACCJVRUXWLG-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184635;MM184635;CN(C=N)NC1CC1O;JYNSPBJAWLTNCY-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184636;MM184636;CN(C=O)NC1CC1F;TUXQYPYWMMXKNJ-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184637;MM184637;CC1CC1ON(C)C=N;YGCUAFSZEFCIFF-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184638;MM184638;CC1CC1ON(C)C=O;MQCXYNDJSLNIMX-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184639;MM184639;CN(C=N)OC1CC1N;NCBSWMACNCCBGT-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184640;MM184640;CN(C=O)OC1CC1N;PKZUEFMEWBUDNF-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184641;MM184641;CN(C=N)OC1CC1O;ZVAWMKINPWRRSU-UHFFFAOYSA-N;130.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184642;MM184642;CN(C=O)OC1CC1O;VVFQJSBSGXTQRT-UHFFFAOYSA-N;131.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184643;MM184643;CN(C=N)OC1CC1F;IMJSZGHPVHJFJN-UHFFFAOYSA-N;132.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184644;MM184644;CN(C=O)OC1CC1F;YEYXCMJDYRBBRN-UHFFFAOYSA-N;133.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184645;MM184645;C=CC(N)CC1NC1C;RFGLQCIZTPXAKG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184646;MM184646;CC1NC1CN(C)C=N;UJIRXEMOMNFODD-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184647;MM184647;CC1NC1CN(N)C=N;CSZUFWRUGLBBBL-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184648;MM184648;C=CC(C)CC1OC1C;NXDXEBPKMBJRHZ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184649;MM184649;CC(C=O)CC1OC1C;KXMFEMASDJJKAF-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184650;MM184650;CC(C#N)CC1OC1C;OXOKABHTKWBMKH-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184651;MM184651;C=CC(N)CC1OC1C;JPNWOSYTVQMZPC-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184652;MM184652;C=CC(O)CC1OC1C;XOIJQMLSODNTTQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184653;MM184653;CC1OC1CC(O)C=O;DRRDXBZRNSPWFP-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184654;MM184654;CC1OC1CC(O)C#N;HBXBORKYYGVZMX-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184655;MM184655;C=CC(F)CC1OC1C;UIDMHOKKZABALJ-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184656;MM184656;CC1OC1CC(F)C=O;JKTSFXNRWICHAZ-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184657;MM184657;CC1OC1CC(F)C#N;VQKLBPCQKSSRQC-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184658;MM184658;CC1OC1CN(C)C=N;BYZAEKHIEKBHSE-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184659;MM184659;CC1OC1CN(C)C=O;MTBWPHBOZYBNHO-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184660;MM184660;CC1OC1CN(N)C=N;PWLLWPPAVPZVOE-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184661;MM184661;CC1OC1CN(N)C=O;APOUIJIKKAPKQN-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184662;MM184662;C=NN(C)CC1OC1C;GQHWGWBIBZDSCJ-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184663;MM184663;CC1C(C)N1C1C(O)C1O;GVFJQEGMLDSWRX-UHFFFAOYSA-N;143.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184664;MM184664;CC(C#N)CC1CN1C;JRAFLZFVVKVVBV-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184665;MM184665;C=CC(N)CC1CN1C;CFGZHBMXVUPQQZ-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184666;MM184666;N#CCN1CC1C(O)CF;CCSMZRUAIJBZIM-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184667;MM184667;C=NOC1CC1C#CCO;QCLHOLGKHPWCAK-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184668;MM184668;CNN=CC#CCNC=O;HRPZZZWQLZZSKF-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184669;MM184669;C=CC(F)CC1CN1C;XJIXCMIFGZNDLP-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184670;MM184670;N=Cn1nc2ccnc-2[nH]1;WJGVDEXYSCCGCQ-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184671;MM184671;CN1CC1CC(F)C#N;JMLJHMSHDPUOSK-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184672;MM184672;CN(C=N)CC1CN1C;JNSAHYJBSYGRSI-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184673;MM184673;CN(C=O)CC1CN1C;VAOAUNMVDUSONO-UHFFFAOYSA-N;128.18;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184674;MM184674;CN1CC1CN(N)C=N;ZVEIGBCJAGIKAC-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184675;MM184675;CN1CC1CN(N)C=O;HDDVYIFBUDVODW-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184676;MM184676;C=NN(C)CC1CN1C;RZCUSDFXBGSVMI-UHFFFAOYSA-N;127.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184677;MM184677;C#CC1CN1C1C(O)C1O;LVRKQKGXNVRTCU-UHFFFAOYSA-N;139.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184678;MM184678;CC(C#N)CN1CC1C;AMTGFBMABRKJMK-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184679;MM184679;C=CC(N)CN1CC1C;OEDJBWQPXAIPOY-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184680;MM184680;CC1=NN(C)C(=O)C1;NDELSWXIAJLWOU-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184681;MM184681;C=CC(F)CN1CC1C;ONOOBQYVXOUURR-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184682;MM184682;C=NNCC1(O)CC1O;KGLPAUCFUIKEHM-UHFFFAOYSA-N;130.15;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184683;MM184683;CC1CN1CC(F)C#N;OLQRTQXJLRIZAR-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184684;MM184684;C#CC(C)CC1CC1C;GUWRPUCGLXZNHU-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184685;MM184685;C#CC(N)CC1CC1C;OYLQZOADXHSNPX-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184686;MM184686;C#CC(O)CC1CC1C;PLASXFNFCHSFIO-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184687;MM184687;C#CC(F)CC1CC1C;JGCDIDBPVCDUDE-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184688;MM184688;C#CC(C)CC1CC1N;ONGGJQKBBZEIGS-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184689;MM184689;C#CC(N)CC1CC1N;AOYLDIJZCOHWAN-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184690;MM184690;C#CC(O)CC1CC1N;DXQZFVZATJNUJH-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184691;MM184691;C#CC(F)CC1CC1N;FWEKFCXVGLEOKI-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184692;MM184692;Cn1c(=O)nc(N)n1O;JBDQZBLTKGPBGX-UHFFFAOYSA-N;130.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184693;MM184693;C#CC(N)CC1CC1O;JQQHORBKNKSGSF-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184694;MM184694;C#CC(O)CC1CC1O;VSSIGAYAWYTKFI-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184695;MM184695;C#CC(F)CC1CC1O;ILHJVSBBEZCEBD-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184696;MM184696;C#CC(C)CC1CC1F;SWJOUNICEFRAHI-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184697;MM184697;C#CC(N)CC1CC1F;GLRKBGYHGPUAFD-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184698;MM184698;C#CC(O)CC1CC1F;XRAVFYOYWYJQQA-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184699;MM184699;C#CC(F)CC1CC1F;KSIPOJJRAHXWBN-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184700;MM184700;C#CC(C)NC1CC1C;PYSPXDLFNZDWOU-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184701;MM184701;C#CC(C)NC1CC1N;WNHYNEUKLYIPRR-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184702;MM184702;C#CC(C)OC1CC1C;QITVXGKQYFKWEB-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184703;MM184703;C#CC(C)OC1CC1N;DOJOCESPKAYBHU-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184704;MM184704;C#CC(N)CC1NC1C;WXKYKBXPBGOWRB-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184705;MM184705;C#CC(C)CC1OC1C;FWXJLFLHRDQLOT-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184706;MM184706;C#CC(N)CC1OC1C;VUDRIPDBAQLJKJ-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184707;MM184707;C#CC(O)CC1OC1C;XXCPXUAOVNEQTF-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184708;MM184708;C#CC(F)CC1OC1C;PRFOFTJHIQXFMM-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184709;MM184709;C#CC(N)CC1CN1C;AFEZCAVKQZEGBN-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184710;MM184710;Cc1c(N)[nH]c(O)c1N;CLSZVDZJZVGHJF-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184711;MM184711;C#CC(F)CC1CN1C;QOEYNJBMWSRMQQ-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184712;MM184712;N=C1C=C(NC=O)C=N1;JUDMLYPWWHYBQY-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184713;MM184713;C=C(CC)CC1CC1C;YUPKAQXYLZTNAD-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184714;MM184714;C=C(CN)CC1CC1C;KCINKIZKXCDSMY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184715;MM184715;C=C(CO)CC1CC1C;AIOBPOJFBRRRES-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184716;MM184716;C=C(CF)CC1CC1C;JGFCVNFKXMSGBN-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184717;MM184717;CCC(=O)CC1CC1C;WYGORFHVZTWEPT-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184718;MM184718;CC1CC1CC(=O)CO;JUPFKBUWEGFDGX-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184719;MM184719;CC1CC1CC(=O)CF;MHIYSKUMGNVFGP-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184720;MM184720;C=C(CC)CC1CC1N;ZCHUENIGCYMMDU-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184721;MM184721;C=C(CN)CC1CC1N;FJMJYUQMSMHFOE-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184722;MM184722;C=C(CO)CC1CC1N;SNBKJLQSQVBAIH-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184723;MM184723;C=C(CF)CC1CC1N;XOCQCTITBNWWPR-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184724;MM184724;NN=C1C=CC(CF)O1;TXEMKABKCBJJPV-UHFFFAOYSA-N;130.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184725;MM184725;C=C(CN)CC1CC1O;BMXDREGFXOUJEE-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184726;MM184726;C=C(CO)CC1CC1O;OFIHKMIHHOGWCJ-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184727;MM184727;C=Cc1nc(NC)n[nH]1;MAXOOXPLSSWDND-UHFFFAOYSA-N;124.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184728;MM184728;CCC(=O)CC1CC1O;PPDMEKPKEQQYBT-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184729;MM184729;O=C(CO)CC1CC1O;VSSJFSANZIACPU-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184730;MM184730;O=C(CF)CC1CC1O;MQKWBAHQPKDICZ-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184731;MM184731;C=C(CC)CC1CC1F;QXGDMQLPZCPDHK-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184732;MM184732;C=C(CN)CC1CC1F;MAGNXBKWGIAOLE-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184733;MM184733;C=C(CO)CC1CC1F;FBTKIBVJRVCREL-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184734;MM184734;C=C(CF)CC1CC1F;JONBLDCFNNDJBB-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184735;MM184735;CCC(=O)CC1CC1F;SJYKMVLRYRVCTP-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184736;MM184736;O=C(CO)CC1CC1F;AEAPYEXIXSBHED-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184737;MM184737;O=C(CF)CC1CC1F;BFHTXBXUTPFUMZ-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184738;MM184738;CNC(=N)CC1CC1C;JPMIPPNNOLLLHG-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184739;MM184739;CC1CC1CC(=N)NN;CIFAGZDELYPPLY-UHFFFAOYSA-N;127.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184740;MM184740;CC1CC1CC(=N)NO;SOVVTFDKQDDVBA-UHFFFAOYSA-N;128.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184741;MM184741;CNc1n[nH]c(NC)n1;YDELSCOBGPPORA-UHFFFAOYSA-N;127.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184742;MM184742;N#CCNC1C(O)C1O;DMWOZXDULIFRJQ-UHFFFAOYSA-N;128.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184743;MM184743;CC1CC1CC(=O)NO;AXUZQBYXXJXCEE-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184744;MM184744;CNC(=N)CC1CC1N;RGWAFYMTMKAVMN-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184745;MM184745;N=C(CC1CC1N)NO;ZLWHLBPNMAZPQI-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184746;MM184746;CNC(=O)CC1CC1N;BKPDNMXFOVXDKR-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184747;MM184747;NC1CC1CC(=O)NO;XHRVQZXCNZGCSE-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184748;MM184748;CNC(=N)CC1CC1O;RMMYEJTXXMLZMN-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184749;MM184749;N=C(CC1CC1O)NN;QQPVMGKJCHUOBN-UHFFFAOYSA-N;129.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184750;MM184750;N=C(CC1CC1O)NO;VCSBAHAWFYBKIV-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184751;MM184751;CNC(=O)CC1CC1O;CCBBPUMJVPEYAJ-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184752;MM184752;C=C(C)C(C)=CC(=O)NN;AVEYJQZLMRIGDG-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184753;MM184753;O=C(CC1CC1O)NO;XFPDEZZGXAVOCD-UHFFFAOYSA-N;131.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184754;MM184754;CNC(=N)CC1CC1F;NCOLAWXTKOXFPT-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184755;MM184755;N=C(CC1CC1F)NO;STBVURJXKYUZOP-UHFFFAOYSA-N;132.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184756;MM184756;CNC(=O)CC1CC1F;JSZSUMDPGPMBML-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184757;MM184757;CC=CC(C)=CC(=O)NN;UFWSVGRJBUKOJS-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184758;MM184758;C=C(CC1CC1C)OC;WBSKDBZWGBKTQD-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184759;MM184759;COC(=O)CC1CC1C;BNJSOSDXRGWZFM-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184760;MM184760;C=C(CC1CC1N)OC;FCERYQQFSKJOEM-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184761;MM184761;COC(=O)CC1CC1N;AWKSXGLVGZQPGJ-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184762;MM184762;C=C(CC1CC1O)OC;GMXJGYDWCZCNGR-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184763;MM184763;COC(=O)CC1CC1O;WCRWOPAJNGULSX-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184764;MM184764;C=C(CC1CC1F)OC;OTPFDWDZIKWBER-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184765;MM184765;COC(=O)CC1CC1F;GOGAQKMFKZSJBR-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184766;MM184766;CCC(=N)NC1CC1C;RVTVCEUJVQFHNE-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184767;MM184767;CC1CC1NC(=N)CN;CCCUMWLGCRRTOR-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184768;MM184768;CC1CC1NC(=N)CO;GWNPDHIUXCEFEH-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184769;MM184769;CC=NNCC(O)C(C)F;VEBRUXZHBIXIMK-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184770;MM184770;CCC(=N)NC1CC1N;OAYZOGDHAZRKOG-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184771;MM184771;N=C(CN)NC1CC1N;KCDWZYPGICIOPW-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184772;MM184772;CCC(=O)NC1CC1N;BSNQCBAKHWNCFM-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184773;MM184773;NC1CC1NC(=O)CF;AHOFWCVTUKHLSQ-UHFFFAOYSA-N;132.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184774;MM184774;CCC(=N)NC1CC1O;UJHANMOXTBJYBN-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184775;MM184775;N=C(CN)NC1CC1O;KWCJQIMAKDTTGX-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184776;MM184776;CCC(=O)NC1CC1O;NWIWGJVEQIYJAS-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184777;MM184777;O=C(CF)NC1CC1O;WWVKEHGLVHUFPX-UHFFFAOYSA-N;133.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184778;MM184778;CCC(=N)NC1CC1F;XGISCRQBJNVYJB-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184779;MM184779;CNC(=N)NC1CC1C;XYGFKYYZCUBMFB-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184780;MM184780;CC1CC1NC(=N)NN;ITEMGBYRJPGXLN-UHFFFAOYSA-N;128.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184781;MM184781;CC1CC1NC(=N)NO;SXMNWSZGBCQQCL-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184782;MM184782;CNC(=O)NC1CC1C;FFCDIWJBTRAKKH-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184783;MM184783;CC(=N)N(O)C(=N)OC=O;NTJGTNNWRWQBLE-UHFFFAOYSA-N;145.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184784;MM184784;CC1CC1NC(=O)NO;MOQGFWQPCACMMR-UHFFFAOYSA-N;130.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184785;MM184785;CNC(=N)NC1CC1N;SFKBSXYTCBRFII-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184786;MM184786;NC1CC1NC(=O)NO;RMKIMZQKLXIZRV-UHFFFAOYSA-N;131.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184787;MM184787;CNC(=N)NC1CC1O;XZKHJEMLQSKBGB-UHFFFAOYSA-N;129.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184788;MM184788;COC(=N)NC1CC1N;NIODPNLBDMAZEN-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184789;MM184789;C=C(CC)OC1CC1C;UVIOPCAARMEHNB-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184790;MM184790;C=C(CN)OC1CC1C;NSERPFNSNJRNHA-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184791;MM184791;C=C(CO)OC1CC1C;ACDMYVGEGPWECF-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184792;MM184792;C=C(CF)OC1CC1C;PTDUSWRCZCJBQU-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184793;MM184793;CCC(=O)OC1CC1C;ZXKKNXYWWDYTRS-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184794;MM184794;CC1CC1OC(=O)CO;NWOSRKCBZCSDBP-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184795;MM184795;CC1CC1OC(=O)CF;CLBAKBMAVLKXHW-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184796;MM184796;C=C(CC)OC1CC1N;OJPOKIKLNLGHLO-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184797;MM184797;C=C(CN)OC1CC1N;IGVLAWVVFAEOHA-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184798;MM184798;CCC(=O)OC1CC1N;ZWIDMEXAHKSVML-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184799;MM184799;NC1CC1OC(=O)CO;ISYNMYGUFXRDLT-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184800;MM184800;NC1CC1OC(=O)CF;CZVRBVWUJLVZEC-UHFFFAOYSA-N;133.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184801;MM184801;C=C(CN)OC1CC1O;QLOJSJJYBWBUHL-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184802;MM184802;CCC(=O)OC1CC1O;OCHZKRFIRICENK-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184803;MM184803;O=C(CF)OC1CC1O;FLUSOOLBYKNXPP-UHFFFAOYSA-N;134.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184804;MM184804;C=C(CC)OC1CC1F;DYROYACVMNLDFU-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184805;MM184805;CNC(=N)OC1CC1C;ZMCQGYJUNPICEH-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184806;MM184806;CNC(=N)OC1CC1N;LTPPLAFBEHCWFZ-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184807;MM184807;N=C(NO)OC1CC1N;XTNDOGXPSQQQHN-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184808;MM184808;CNC(=O)OC1CC1O;NQYMUZDGYHUBPF-UHFFFAOYSA-N;131.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184809;MM184809;CNC(=N)OC1CC1F;OSLPAUCKEKTHJU-UHFFFAOYSA-N;132.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184810;MM184810;COC(=O)OC1CC1C;ZCHIROXCSXALIW-UHFFFAOYSA-N;130.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184811;MM184811;COC(=O)OC1CC1N;JAMFQSPWAZOCHE-UHFFFAOYSA-N;131.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184812;MM184812;C=C(CN)CC1NC1C;FKVXBXCFEMNBOE-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184813;MM184813;CNC(=N)CC1NC1C;XYMWRYHUMMGNNB-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184814;MM184814;CC1NC1CC(=N)NN;URBYFTMFIBQQEM-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184815;MM184815;CC1NC1CC(=N)NO;WCIKFEIVMCVASY-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184816;MM184816;C=C(CC)CC1OC1C;IZWGZQHKQZQSAC-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184817;MM184817;C=C(CN)CC1OC1C;QYPVIYRPTNPLOY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184818;MM184818;C=C(CO)CC1OC1C;KGCURTLQFCMSRV-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184819;MM184819;C=C(CF)CC1OC1C;JYSVZDGKGYUJOX-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184820;MM184820;CCC(=O)CC1OC1C;LZHJXMWNSBUQCO-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184821;MM184821;CC1OC1CC(=O)CO;VQCLEAYDVVRLEW-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184822;MM184822;CC1OC1CC(=O)CF;OOVSALQHERBUBT-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184823;MM184823;CNC(=N)CC1OC1C;LQLGLNBUEIWHEY-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184824;MM184824;CC1OC1CC(=N)NN;JQFVFYYOGAQJEX-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184825;MM184825;CC1OC1CC(=N)NO;HHMSXKJTJGIRRU-UHFFFAOYSA-N;130.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184826;MM184826;CNC(=O)CC1OC1C;HSMNTZLPCOBHJD-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184827;MM184827;CNC(=O)N=CN(N)C=O;FPSHBLRPSQJGMA-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184828;MM184828;CC1OC1CC(=O)NO;MFJFWWJAEIZSMH-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184829;MM184829;C=C(CC1OC1C)OC;YMTUPUFSEKNODA-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184830;MM184830;COC(=O)CC1OC1C;ACMRZJAYPUKZTR-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184831;MM184831;C=C(CN)CC1CN1C;RESSUQLIVUCKBW-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184832;MM184832;C=CC(=CC(=O)NN)CC;UGOYDAHXQUYEKB-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184833;MM184833;NN(C(=O)CO)C(=O)CF;BZBNPTOVVBKRGF-UHFFFAOYSA-N;150.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184834;MM184834;C=NNCC(C)C#CCO;MQNRERSPDINADU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184835;MM184835;C=NOCC(C)C#CCO;VCWHWXPEPYJGTN-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184836;MM184836;CNC(=N)CC1CN1C;NYRFEIKGFYGWNZ-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184837;MM184837;CN1CC1CC(=N)NN;SVGCXKNOVXQONC-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184838;MM184838;CN1CC1CC(=N)NO;IXOQRBZDFKEXST-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184839;MM184839;CC(C#N)NC1C(O)C1O;GOXBSODIUXHCAZ-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184840;MM184840;CCn1oc(=O)c(=N)n1O;KLNAUKCXQZUHRX-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184841;MM184841;CN1CC1CC(=O)NO;IIVGLIUEFZILLI-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184842;MM184842;COC(=O)CC1CN1C;KVXKMGBLCMECTB-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184843;MM184843;C=C(CN)CN1CC1C;NYATWIVFRVABRE-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184844;MM184844;Cn1c(=N)oc(=NN)n1O;JYAIAIFGXCMCFZ-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184845;MM184845;C=C(CF)CN1CC1C;WWMQJZVJLLYEMT-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184846;MM184846;CCC(=O)CN1CC1C;NXRPOESGNJEEDH-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184847;MM184847;NN=c1cc(CO)on1O;XABMFHMLJZMWAT-UHFFFAOYSA-N;145.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184848;MM184848;NN=CC1CC1C#CCO;XGCQJWKFRPRVHE-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184849;MM184849;CNC(=N)CN1CC1C;DYGOAYZLZNFHGV-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184850;MM184850;CC1CN1CC(=N)NN;GRNQDODJDHRDLS-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184851;MM184851;CC1CN1CC(=N)NO;SXABOAPEMMIJBO-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184852;MM184852;Nc1c[nH]c(C=O)n1;YVPXVSCHGNTHAZ-UHFFFAOYSA-N;111.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184853;MM184853;C#Cc1cc(C)n[nH]1;KGTYSBBLGWUJGT-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184854;MM184854;C=C(CN1CC1C)OC;QYNMVUQJNBQAMU-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184855;MM184855;COC(=O)CN1CC1C;MTJCAKYFSJWRJF-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184856;MM184856;CCC(=N)NN1CC1C;RCFWYDWTWKUPQM-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184857;MM184857;CC1CN1NC(=N)CN;AHBLADOACDGBLL-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184858;MM184858;CC1CN1NC(=N)CO;AADORLXMLKUBFJ-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184859;MM184859;CCC(=O)NN1CC1C;IYSKBURJUUISFL-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184860;MM184860;CNC(=N)NN1CC1C;JGLKRTVJIZOUMU-UHFFFAOYSA-N;128.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184861;MM184861;CC1CN1NC(=N)NN;LVJHUUQWZZWJBR-UHFFFAOYSA-N;129.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184862;MM184862;CC1CN1NC(=N)NO;UKGPUNOPIJVONO-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184863;MM184863;CC1CN1NC(=O)NN;KTSLDULNHPGXEZ-UHFFFAOYSA-N;130.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184864;MM184864;CC1CN1NC(=O)NO;FQCRNTBSAIJZGR-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184865;MM184865;C=CC(=C)CC1CC1C;BSWGVVDWXPPTHB-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184866;MM184866;C=C(C=O)CC1CC1C;HOFXFTAMUXDSHH-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184867;MM184867;C=C(C#N)CC1CC1C;VFVJBALEUHNBTB-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184868;MM184868;C=CC(=O)CC1CC1C;REOVKFVNYCYZNN-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184869;MM184869;CC1CC1CC(=O)C=O;SWLGFLKRRDWIKQ-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184870;MM184870;CC1CC1CC(=O)C#N;ZGWFXCKUMXALAO-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184871;MM184871;C=CC(=C)CC1CC1N;BKECDGPEBMJHPQ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184872;MM184872;CN=Cc1cn[nH]c1;VNAYBWFBBAJHCQ-UHFFFAOYSA-N;109.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184873;MM184873;C=NN=CN(C)NC=O;QEMGALOLUWJTOP-UHFFFAOYSA-N;128.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184874;MM184874;C=C(C#N)CC1CC1O;LYBNCEVGLPMWOL-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184875;MM184875;C=CC(=O)CC1CC1O;LMJICCQCZMJPHT-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184876;MM184876;O=CC(=O)CC1CC1O;NDRMPOYOENOWFI-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184877;MM184877;N#CC(=O)CC1CC1O;DKAGIHHPVOZDQQ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184878;MM184878;C=CC(=C)CC1CC1F;VJLDUCXEKHDOLA-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184879;MM184879;C=C(C=O)CC1CC1F;PGBVWBOCGURXER-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184880;MM184880;C=C(C#N)CC1CC1F;NWLIBGNRUPYAOA-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184881;MM184881;C=CC(=O)CC1CC1F;FUXKUWLDPKEPPP-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184882;MM184882;O=CC(=O)CC1CC1F;QQPZUBMCQQHZOV-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184883;MM184883;N#CC(=O)CC1CC1F;QQWBHPOOPNLCBF-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184884;MM184884;C=CC(=N)NC1CC1C;FQFMAMALGPATLG-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184885;MM184885;CC1CC1N=C(N)C=O;RVVWQLKETHHWPN-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184886;MM184886;CC1CC1NC(=N)C#N;WCDHXAZUXUFUNQ-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184887;MM184887;NC(=O)N(N)C(=O)CO;XXBQJOWIOQYVOB-UHFFFAOYSA-N;133.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184888;MM184888;CC1CC1NC(=O)C#N;IJWWRYUQCFUQHA-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184889;MM184889;C=CC(=N)NC1CC1N;HZFLJNQZPGDHPE-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184890;MM184890;C=CC(=N)NC1CC1O;NFYUYACNAAIDLY-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184891;MM184891;COC(=N)N(O)C(C)=N;YBSJUGCVBXIFEG-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184892;MM184892;CN(C=N)C(=O)C(N)=O;QCNNMIBJQJSELF-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184893;MM184893;C=CC(=O)NC1CC1O;GBYJKRAKVDUZFA-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184894;MM184894;N#CC(=O)NC1CC1O;MNJCDPZPYQIALW-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184895;MM184895;C=CC(=N)NC1CC1F;UTBLVUVTFQWOQY-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184896;MM184896;N=C(N)C(=O)CNC=O;GNDHEZHETJZKSP-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184897;MM184897;N#CC(=O)NC1CC1F;GJPXEUUEBCPSNO-UHFFFAOYSA-N;128.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184898;MM184898;C=CC(=C)OC1CC1C;MTRQCILHCNKCDP-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184899;MM184899;C=C(C=O)OC1CC1C;WCBIVFMDQFTLJP-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184900;MM184900;C=C(C#N)OC1CC1C;VREDMBALBRZCJR-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184901;MM184901;C=CC(=O)OC1CC1C;XEHJIIWIOCXBIV-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184902;MM184902;CC1CC1OC(=O)C=O;LHIMHVUSLRAVNA-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184903;MM184903;CC1CC1OC(=O)C#N;ZPDUWTPJDRJBDF-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184904;MM184904;C=CC(=O)OC1CC1N;DAKNJFYTVGMGPF-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184905;MM184905;C=CC(=C)OC1CC1O;NWOXUBAALMHXOP-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184906;MM184906;C=C(C#N)OC1CC1O;ZQWZJXZNMLDKJG-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184907;MM184907;C=CC(=O)OC1CC1O;VQBNHEGTWIBZGS-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184908;MM184908;O=CC(=O)OC1CC1O;IGTPOZWKEGBTHL-UHFFFAOYSA-N;130.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184909;MM184909;N#CC(=O)OC1CC1O;GMKCTXHAOLSTKW-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184910;MM184910;C=C(C=O)OC1CC1F;NPSOYXKVHLTEIA-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184911;MM184911;Cn1oc(=O)c(=N)n1O;XUFPXHDAZXXACD-UHFFFAOYSA-N;131.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184912;MM184912;C=CC(=C)CC1OC1C;BMWWBMHQQFZVRJ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184913;MM184913;C=C(C=O)CC1OC1C;MPFKYDDMNAZFIR-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184914;MM184914;C=C(C#N)CC1OC1C;SGVXZZLKZIKUNZ-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184915;MM184915;C=CC(=O)CC1OC1C;OBUWUNOXOJDKGC-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184916;MM184916;CC1OC1CC(=O)C=O;RAFBGLPXIUCRPQ-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184917;MM184917;CC1OC1CC(=O)C#N;HHWMJWOXNVATBY-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184918;MM184918;C=C(C=O)CC1CN1C;OLXVWBSDQPUOSF-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184919;MM184919;C=C(C#N)CC1CN1C;OGOSREUURGLXAD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184920;MM184920;CC(=O)N=CN(C)NC=O;GFYWVTXRHKSYGS-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184921;MM184921;C=NN1CC(O)(C(=C)C)C1;MJFMMEYBBBFELM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184922;MM184922;C=CCC(C)=CC(=O)NN;KKGIDJYCIBRGKH-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184923;MM184923;C=C(C=O)CN1CC1C;JGBXFBCBGHHPQZ-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184924;MM184924;C=C(C#N)CN1CC1C;CZHZJDJBJKQBIS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184925;MM184925;C=CC(=O)CN1CC1C;DITONBGUARSQBU-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184926;MM184926;C#CC(CC(N)=O)=NOC;OONYVAYMCIIIDW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184927;MM184927;CC(=N)N(O)C(C#N)C=O;QTQUPTIVMFUDGT-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184928;MM184928;C=CC(=N)NN1CC1C;RTDLELGYOBEIHD-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184929;MM184929;CC1CN1N=C(N)C=O;FWODCGGQELZBNO-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184930;MM184930;CN=C(OC)N(O)C(C)=N;ZBPSVBLIKQVTNP-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184931;MM184931;C=CC(=O)NN1CC1C;QZLSHXAZCWUTHT-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184932;MM184932;C#CC(=C)CC1CC1C;BUAYDIYVVZHXMS-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184933;MM184933;C#CC(=O)CC1CC1C;XUYZCMPCWUXWIM-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184934;MM184934;C#CC(=C)CC1CC1N;QYDJXQZGNXVXJI-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184935;MM184935;CCOC(=N)N(O)C(C)=N;SJLVDGWBWDVFCQ-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184936;MM184936;C#CC(=O)CC1CC1O;VBCMPNMRMUWYMY-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184937;MM184937;C#CC(=C)CC1CC1F;RCBKCOJJMSHDFH-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184938;MM184938;C#CC(=O)CC1CC1F;QWMBMCMZIAVTHE-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184939;MM184939;C#CC(=N)NC1CC1C;PPQQFTKUIHWAOO-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184940;MM184940;C#CC(=O)NC1CC1C;LCMVSNUVQAHZPZ-UHFFFAOYSA-N;123.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184941;MM184941;C#CC(=N)NC1CC1N;ZEDZDRLLPNIJOE-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184942;MM184942;C#CC(=O)NC1CC1N;KVHCROPBACYVRS-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184943;MM184943;C#CC(=N)NC1CC1O;NRNRNXXSSFSVHN-UHFFFAOYSA-N;124.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184944;MM184944;C#CC(=O)NC1CC1O;LAUBBXNMKNYMCQ-UHFFFAOYSA-N;125.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184945;MM184945;C#CC(=N)NC1CC1F;RFRCJPCGWPDKAF-UHFFFAOYSA-N;126.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184946;MM184946;C#CC(=C)OC1CC1C;VTNFCJZSSRIYNZ-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184947;MM184947;C#CC(=O)OC1CC1C;QHFWIKKAVHMYIE-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184948;MM184948;C#CC(=C)OC1CC1N;PXLJNDPLSFMSCN-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184949;MM184949;C#CC(=O)OC1CC1N;HPIRJFQWHKZXQT-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184950;MM184950;C#CC(=C)OC1CC1O;XLXDECCNHUTXCT-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184951;MM184951;C#CC(=O)OC1CC1O;JADAEWMYOHELOB-UHFFFAOYSA-N;126.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184952;MM184952;C#CC(=C)OC1CC1F;NEPVQXHHEUFGQZ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184953;MM184953;C#CC(=C)CC1OC1C;FIAQWSHWUWLGJU-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184954;MM184954;C#CC(=O)CC1OC1C;TYNZKKPQMUMIJH-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184955;MM184955;C=CC(C#N)(CO)ON=C;XXPWYEYTEPCMLA-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184956;MM184956;C#CC(=C)CN1CC1C;CINXPXKPRZQFIV-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184957;MM184957;CC1(CO)ON=C(NN)O1;RSFLMBFKOBLEGZ-UHFFFAOYSA-N;147.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184958;MM184958;C#CC(=N)NN1CC1C;ZQBCXQJUUDGJCA-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184959;MM184959;C#CC(=O)NN1CC1C;PVXBABMRNQFBCT-UHFFFAOYSA-N;124.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184960;MM184960;CC=C(C)CC1CC1C;FTUPZADMQSMERF-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184961;MM184961;CC(=CF)CC1CC1C;RJHCBWVCCMPTJF-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184962;MM184962;CC=C(F)CC1CC1C;HZHWMCBQJRRPSS-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184963;MM184963;CC1CC1CC(F)=CF;LAHJEGGKPVUKBX-UHFFFAOYSA-N;132.15;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184964;MM184964;CC=C(C)CC1CC1N;ASROWAIOTSXXON-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184965;MM184965;CC=C(F)CC1CC1N;SCLCWQBJLNTWDG-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184966;MM184966;NC1CC1CC(F)=CF;SFGSAGQMHJIHSM-UHFFFAOYSA-N;133.14;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184967;MM184967;CCC(C)(O)C#CC1CN1;SDXGZDUIAKKAOT-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184968;MM184968;CCC(=N)N(O)C(=N)OC;WFSQCGYUFSXIAI-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184969;MM184969;CC=C(F)CC1CC1O;WKEJUSZPHBUNJM-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184970;MM184970;OC1CC1CC(F)=CF;WQWPRKZANANGDI-UHFFFAOYSA-N;134.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184971;MM184971;CC=C(C)CC1CC1F;IZWKXCBLQZUVSF-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184972;MM184972;CC(=CF)CC1CC1F;KZWLOVLJOVPJKV-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184973;MM184973;CC=C(F)CC1CC1F;DTRPXBPPPANUGF-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184974;MM184974;FC=C(F)CC1CC1F;PKVQBMSDGDJLJP-UHFFFAOYSA-N;136.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184975;MM184975;CC(CC1CC1C)=NN;BUWRFTAGLAXITE-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184976;MM184976;CC(CC1CC1C)=NO;OQDMTDZXWQUSCY-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184977;MM184977;CC(CC1CC1N)=NO;NGAYOYYGTAJZNW-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184978;MM184978;CC(C#CCO)CC=NN;RWEFZWNUYSPBSE-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184979;MM184979;CC(CC1CC1O)=NO;MUJCNDLHWNGJQM-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184980;MM184980;CN=C(C)NC1CC1C;BCQBGTRJENHSSK-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184981;MM184981;CC(=NC1CC1C)NN;SLGIDMXSFDLCOE-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184982;MM184982;CC(=NC1CC1C)NO;TVECWMOCYFNOJS-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184983;MM184983;CN=C(C)NC1CC1N;NZKDQHBHHLJUOT-UHFFFAOYSA-N;127.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184984;MM184984;CN=C(C)NC1CC1O;HWWWDYQOCNUYEJ-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184985;MM184985;CN=C(C)NC1CC1F;BZDSGIXKZVCHLR-UHFFFAOYSA-N;130.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184986;MM184986;CC=C(C)OC1CC1C;FASHZPCBEOWCPC-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184987;MM184987;CC(=CF)OC1CC1C;MJQIKURBUIYXRH-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184988;MM184988;CC=C(C)OC1CC1N;LMBKNLTWWZAZMF-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184989;MM184989;CC(=CF)OC1CC1N;FXMRQEVXNHBGHB-UHFFFAOYSA-N;131.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184990;MM184990;CC=C(C)OC1CC1O;QAALKAUKQUOWBN-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184991;MM184991;CC(=CF)OC1CC1O;RASJWOYZUXBFPD-UHFFFAOYSA-N;132.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184992;MM184992;CC=C(C)OC1CC1F;MHWKZHJCGWYDAK-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184993;MM184993;CC(=CF)OC1CC1F;YRWUTNACISWBRU-UHFFFAOYSA-N;134.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184994;MM184994;CCC=CC=CC(=O)NN;SVVRXXNMOLOHKV-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184995;MM184995;CC(=NO)OC1CC1C;YDIJTFVAFJQTRV-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184996;MM184996;CC(=NO)OC1CC1N;ABFPPRZSPFKVAK-UHFFFAOYSA-N;130.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184997;MM184997;C#CC(ON=C)C(F)=CF;HCRBAGVCTLLLJC-UHFFFAOYSA-N;145.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184998;MM184998;CC=C(C)CC1OC1C;KTHSHOXEWKLSPO-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM184999;MM184999;CC(=CF)CC1OC1C;PLDOHPFNWVPYPP-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185000;MM185000;CC=C(F)CC1OC1C;LNACCNGXMJKTNW-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185001;MM185001;CC1OC1CC(F)=CF;ZHUNTZUZNJMTKJ-UHFFFAOYSA-N;134.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185002;MM185002;CC(CC1OC1C)=NN;KNZKLUKPMUSYFJ-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185003;MM185003;CC(CC1OC1C)=NO;HYMDZYLHQIJHDJ-UHFFFAOYSA-N;129.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185004;MM185004;CC(=CF)CC1CN1C;VPQGACNDMRCQPH-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185005;MM185005;CC=C(F)CC1CN1C;YNVUCZVKMAPYLE-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185006;MM185006;CN1CC1CC(F)=CF;QUSTZOUVUPQGAB-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185007;MM185007;CC(CC1CN1C)=NN;PYFFPPYPNIIONI-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185008;MM185008;O=CN=C(NO)NC=CF;GFQBHVZQWSVXLU-UHFFFAOYSA-N;147.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185009;MM185009;CC(=CF)CN1CC1C;ZPADTAMBQOLEQA-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185010;MM185010;CC=C(F)CN1CC1C;FVEYNLOBTKCURB-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185011;MM185011;CC(CN1CC1C)=NN;MDMSWGIJUWGDGI-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185012;MM185012;CCC(C(=O)NN)C(C)C;WFWLUBNQRUBPKI-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185013;MM185013;CN=C(C)NN1CC1C;TZBLFYMTYQSKQX-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185014;MM185014;CCC(C)=CC1CC1C;YUXNYRNEIWBHNL-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185015;MM185015;CC(=CC1CC1C)CN;AAMOGQGMNLEFHY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185016;MM185016;CC(=CC1CC1C)CO;XSASPZOODVRSSZ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185017;MM185017;CC(=CC1CC1C)CF;BNRXGHOOOQRXQF-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185018;MM185018;CCC(F)=CC1CC1C;OLDDKPXKMXQCAN-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185019;MM185019;CCC(C)=CC1CC1N;WQQCWNLWJAJBFB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185020;MM185020;CC(=CC1CC1N)CN;OTDHLAQUMGCHCB-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185021;MM185021;CC(=CC1CC1N)CO;JTWVUBNXVROQBT-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185022;MM185022;CC(=CC1CC1N)CF;DWFZMIGAWAOSQB-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185023;MM185023;CCC(F)=CC1CC1N;SUBZPITTWYKQFF-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185024;MM185024;NC1CC1C=C(F)CF;BKFGUXAZGJVTLJ-UHFFFAOYSA-N;133.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185025;MM185025;CCC(NNC=O)C(C)C;DTQATGYEPPRVKD-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185026;MM185026;CC(=CC1CC1O)CN;UNACNAXLCQIVDW-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185027;MM185027;CC(=CC1CC1O)CO;HHWFHCVRXUYRBS-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185028;MM185028;Nc1noc(=O)c(=O)n1N;LLXNVTNKGGOBPS-UHFFFAOYSA-N;144.09;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185029;MM185029;CCC(F)=CC1CC1O;IDRIILSVOIBBJJ-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185030;MM185030;OC1CC1C=C(F)CF;UZOQHYYYYZGYDO-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185031;MM185031;CCC(C)=CC1CC1F;JDIRVWBSAARGRY-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185032;MM185032;CC(=CC1CC1F)CO;HGNZAMRPFFZSOE-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185033;MM185033;CC(=CC1CC1F)CF;YFGHCUCZVMGWKV-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185034;MM185034;OCC(F)=CC1CC1F;DZTFGCINLOPUHK-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185035;MM185035;FCC(F)=CC1CC1F;XERWDTOYHDFRLV-UHFFFAOYSA-N;136.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185036;MM185036;COC(C)=CC1CC1C;MXFNJOYOCAPKEE-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185037;MM185037;COC(C)=CC1CC1N;XZZYKTXZSOVSKI-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185038;MM185038;COC(C)=CC1CC1O;WAMTVOOLIMELRS-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185039;MM185039;COC(C)=CC1CC1F;SQISUSBWCPOEKL-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185040;MM185040;CC(=CC1NC1C)CN;KJIGZBWUVBRBLG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185041;MM185041;CCC(C)=CC1OC1C;OOBBXKWSRSAYPW-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185042;MM185042;CC(=CC1OC1C)CN;WYGUSIWTKHXJHY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185043;MM185043;CC(=CC1OC1C)CO;CGQNMWGAFAENLL-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185044;MM185044;CCC(F)=CC1OC1C;ZNRWDYAQXYYREP-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185045;MM185045;CC1OC1C=C(F)CO;HVOMNQTVFGWGRP-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185046;MM185046;COC(C)=CC1OC1C;VSGUVHUXUIGATC-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185047;MM185047;CCC(C)=CC1CN1C;UDWNERFIDVMRLV-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185048;MM185048;CC(=CC1CN1C)CN;QOHOSKIJPNSYKA-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185049;MM185049;CCc1nc(O)n(N)c1N;PAPAYNQYTRIYFF-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185050;MM185050;CC(=CC1CN1C)CF;VBENGLNAPIGLDK-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185051;MM185051;CCC(F)=CC1CN1C;JETJWTVRKNNDFF-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185052;MM185052;COC(C)=CC1CN1C;LTRDHVXOCPQPJD-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185053;MM185053;CCC(C)=NN1CC1C;KMZHCOYTXAUXOP-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185054;MM185054;C=CCc1nc(NC)n[nH]1;WAEAZNBQASWHPX-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185055;MM185055;CC(CF)=NN1CC1C;UVQMOQLJODCZFO-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185056;MM185056;COC(C)=NN1CC1C;YYYZEWMTMXENIX-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185057;MM185057;C=CC(C)=CC1CC1C;CXXRYZQINRYUHA-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185058;MM185058;CC(C=O)=CC1CC1C;BDZBTAOQBQKJOT-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185059;MM185059;CC(C#N)=CC1CC1C;OKWSIEZKJYHYBI-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185060;MM185060;C=CC(F)=CC1CC1C;QXNXMTNLGPWFFT-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185061;MM185061;CC1CC1C=C(F)C#N;SZIWVWDTBCXKJY-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185062;MM185062;C=CC(C)=CC1CC1N;OWFCYTVIXPCXFL-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185063;MM185063;C=CC(F)=CC1CC1N;WHQFHIMVGQQREV-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185064;MM185064;C=CCc1nc(C=C)c[nH]1;CHQPLQQRCBRREI-UHFFFAOYSA-N;134.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185065;MM185065;CC#Cc1cc(NO)n[nH]1;AHMUUVZYQIETTC-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185066;MM185066;CC(C#N)=CC1CC1O;QNSLBLSHCZTKQT-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185067;MM185067;C=CC(F)=CC1CC1O;GDKSRAMWSYBROX-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185068;MM185068;C=CC(C)=CC1CC1F;MEGLGDPBTCCZNA-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185069;MM185069;CC(C=O)=CC1CC1F;BNMCPJKFJBGESB-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185070;MM185070;CC(C#N)=CC1CC1F;ODWJJARNQULWNG-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185071;MM185071;C=CC(F)=CC1CC1F;ULNMEWBSNGFSOV-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185072;MM185072;CC(C#N)=CC1NC1C;GDSXCUPBAUHMQF-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185073;MM185073;C=CC(C)=CC1OC1C;XWMGFXBNOKCKNO-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185074;MM185074;CC(C=O)=CC1OC1C;QRMLAICMGCZRSS-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185075;MM185075;CC(C#N)=CC1OC1C;NALUWHZGISNYHG-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185076;MM185076;C=CC(F)=CC1OC1C;MQAJDKRKIWUODE-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185077;MM185077;CC1OC1C=C(F)C=O;IFYXTMUTKYKJFH-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185078;MM185078;CC1OC1C=C(F)C#N;XGKFVMFPBHRJHV-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185079;MM185079;C=CC(C)=CC1CN1C;GWEKDUBBPNKESC-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185080;MM185080;CC(C=O)=CC1CN1C;BXJMJVSNLMMBNU-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185081;MM185081;CC(C#N)=CC1CN1C;BCXWDWDQLWAWPL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185082;MM185082;C=CC(F)=CC1CN1C;NVQXQAYVYMAGQB-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185083;MM185083;CC(C=O)=CN1CC1C;TUKSRLCPZIOKRL-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185084;MM185084;CC(C#N)=CN1CC1C;XJCDRTJWLDWUHI-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185085;MM185085;CC1CN1C=C(F)C=O;WGSSIJUXCVXMRO-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185086;MM185086;CC1CN1C=C(F)C#N;SSOSVBAQKHMVFP-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185087;MM185087;C=CC(C)=NN1CC1C;PMGFQXLVPPZUOD-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185088;MM185088;CC(C=O)=NN1CC1C;LIODTKXQUGCYBF-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185089;MM185089;CC(C#N)=NN1CC1C;XFTZQQVOFYMLGA-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185090;MM185090;C#CC(C)=CC1CC1C;RCBVAOIGEVRWDK-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185091;MM185091;C#CC(C)=CC1CC1N;CLBZDFFLIXOEAM-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185092;MM185092;C#CC(F)=CC1CC1N;JPWAXQRSAOKEMZ-UHFFFAOYSA-N;125.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185093;MM185093;CN=c1c(=O)on(C)n1O;IZBDHUBEZFUZFU-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185094;MM185094;C#CC(F)=CC1CC1O;IXKHRMRLOSDIJA-UHFFFAOYSA-N;126.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185095;MM185095;C#CC(C)=CC1CC1F;CKSOBEWGAOKYGN-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185096;MM185096;C#CC(C)=CC1OC1C;FJHSKKLOMHBNIA-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185097;MM185097;C#CC(F)=CC1OC1C;JFJLMBUIBZADJQ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185098;MM185098;C#CC(C)=CC1CN1C;ICNKPCQSNZNTNM-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185099;MM185099;C#CC(F)=CC1CN1C;ZSFBMKNWTOPVSM-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185100;MM185100;C#CC(C)=NN1CC1C;PDLCWBXTTHZPCW-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185101;MM185101;CCC1CC(C)C(C)C1;QKXQNQVXTYSGKS-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185102;MM185102;CC1CC(CN)CC1C;VSVLHRNXXXDBCJ-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185103;MM185103;Cc1c(F)on(O)c1=NN;FNIWPOHKZKGPMA-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185104;MM185104;CC1CC(CF)CC1C;PETHJEGUEMSXFG-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185105;MM185105;CCC1CC(C)C(N)C1;DPSXGNABTYBKIP-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185106;MM185106;CC1CC(CN)CC1N;GZSVGRDMGASIDP-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185107;MM185107;CC1CC(CO)CC1N;ZXDKVAKZPGDWSI-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185108;MM185108;C=Cc1n[nH]c(OC)c1C;TZXKDKCJWBNLIB-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185109;MM185109;CC1CC(CN)CC1O;WPJGPIPCAQPXKV-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185110;MM185110;CC1CC(CO)CC1O;JXXMBGACUPJFOX-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185111;MM185111;CC1CC(CF)CC1O;UEUBKLAZUGBWCF-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185112;MM185112;CCC1CC(C)C(F)C1;XISAALPNUKLHDJ-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185113;MM185113;CC1CC(CO)CC1F;CXIDOXKXUIAVNU-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185114;MM185114;CCC1CC(N)C(N)C1;HGBRTPMFAKIRKD-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185115;MM185115;NCC1CC(N)C(N)C1;KTUQYRYRISVESC-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185116;MM185116;NC1CC(CO)CC1N;ACKKWTYOQVRXCM-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185117;MM185117;CCC1CC(N)C(O)C1;MXFQYXODGGADNK-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185118;MM185118;NCC1CC(N)C(O)C1;HTBFZNBOXWYERW-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185119;MM185119;NC1CC(CO)CC1O;HTRVRQODPWDMNN-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185120;MM185120;CCC1CC(N)C(F)C1;ZSIHHBLGBJIAER-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185121;MM185121;OCC1CC(O)C(O)C1;ATRHDWQRNLZXBJ-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185122;MM185122;OCC1CC(O)C(F)C1;IOLZTRHHOUGGDX-UHFFFAOYSA-N;134.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185123;MM185123;CNC1CC(C)C(C)C1;ZNGWFCDLQADXMS-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185124;MM185124;CNC1CC(C)C(N)C1;CKYZYLZITSUHMB-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185125;MM185125;CNC1CC(C)C(O)C1;ZZJVHLUURJCSLL-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185126;MM185126;CNC1CC(N)C(N)C1;CFCLBDNVTJHVFL-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185127;MM185127;CNC1CC(O)C(O)C1;UGWGREXODABCQR-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185128;MM185128;COC1CC(C)C(C)C1;HGKFTTYWJOKXEJ-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185129;MM185129;COC1CC(C)C(N)C1;NIMFHQFUUCSUNI-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185130;MM185130;COC1CC(C)C(O)C1;SDFGFGCRMUMRGH-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185131;MM185131;COC1CC(C)C(F)C1;QROVWZMJZVBVBI-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185132;MM185132;COC1CC(N)C(F)C1;NLSJJIFLIXXLIU-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185133;MM185133;CCC1CC(C)C(C)N1;KJIXYUGPFRMNHL-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185134;MM185134;CC1CC(CN)NC1C;IDGFCULZHRSPLP-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185135;MM185135;CCC1CC(N)C(C)N1;RUIGUIQMYTWQMY-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185136;MM185136;CC1NC(CN)CC1N;YQYNCDOGCHWXNO-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185137;MM185137;CCC1CC(O)C(C)N1;WOZOZXZHTKYYGA-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185138;MM185138;CCC1CC(F)C(C)N1;XSWUTBDTRRLCDY-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185139;MM185139;CCC1CC(C)C(C)O1;AWPHUAAOBMHRRA-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185140;MM185140;CC1CC(CN)OC1C;RYPDIYWUJSLZNI-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185141;MM185141;CC1CC(CO)OC1C;CIQGJQPXAWEHIN-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185142;MM185142;CCC1CC(N)C(C)O1;PLMJWCLVIADVQS-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185143;MM185143;CCC1CC(O)C(C)O1;XFUQKFZFZBTFLE-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185144;MM185144;CCC1CC(F)C(C)O1;QASWYVOAVPQCGR-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185145;MM185145;CCC1CC(C)N(C)C1;ZHXBCMVCCBKLNC-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185146;MM185146;CC1CC(CN)CN1C;RJZDBUNYMBDNKY-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185147;MM185147;CC1CC(CO)CN1C;AZSAHPUEZZJPGK-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185148;MM185148;CNC1CC(C)N(C)C1;CRYYHMDVRRLVFA-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185149;MM185149;COC1CC(C)N(C)C1;KMSJGKZSRQFLOS-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185150;MM185150;CCN1CC(C)C(C)C1;HQWQXWLXLYUDSI-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185151;MM185151;CCN1CC(C)C(N)C1;FHOZBMFXDBJVBS-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185152;MM185152;CCN1CC(C)C(O)C1;IDLGLZAPCLJCLM-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185153;MM185153;CCN1CC(C)C(F)C1;OYOYJWXMRBCJAS-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185154;MM185154;CCN1CC(N)C(N)C1;SGUFLFVNLHBFPG-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185155;MM185155;C=CC1CC(C)C(C)C1;WHIJTHSUPAOHLO-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185156;MM185156;CC1CC(C=O)CC1C;XIHBIYQJMDPCKL-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185157;MM185157;CC1CC(C#N)CC1C;WGDIHYSIVHFXRU-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185158;MM185158;C=CC1CC(C)C(N)C1;RQZUKDZMLRLNMH-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185159;MM185159;Nc1cnc(O)n1N;LJOSMOYFHGOELJ-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185160;MM185160;CC1CC(C=O)CC1O;LBRSEZOPSZXNCK-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185161;MM185161;CC1CC(C#N)CC1O;CKHZVHDNVOKLNC-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185162;MM185162;C=CC1CC(C)C(F)C1;SVEJLKJDVUJLAL-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185163;MM185163;CC1CC(C#N)CC1F;QTKZAZMVXDAVBH-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185164;MM185164;C=CC1CC(N)C(O)C1;VZXCZXUYIQLTGL-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185165;MM185165;C=CC1CC(N)C(F)C1;FYRNNGJAKWACJM-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185166;MM185166;C=CC1CC(O)C(O)C1;ZSNQYVKRFAWCBZ-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185167;MM185167;O=CC1CC(O)C(O)C1;JPEPILYZNSWLSL-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185168;MM185168;C=CC1CC(C)C(C)N1;ZMUJHYMAPHDHOU-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185169;MM185169;CC1CC(C=O)NC1C;FAKNKLZVDHMRNJ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185170;MM185170;C=CC1CC(N)C(C)N1;VAHJOXCQUQQISQ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185171;MM185171;C=CC1CC(O)C(C)N1;MTVKSWDNDUZEFN-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185172;MM185172;C=CC1CC(F)C(C)N1;CTAWLRHGABQCQU-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185173;MM185173;CC1NC(C#N)CC1F;FBJZDWBTTJUBQS-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185174;MM185174;C=CC1CC(C)C(C)O1;MVKNHAAPBNJZHC-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185175;MM185175;CC1CC(C#N)OC1C;GQVPZARVRHTWRP-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185176;MM185176;C=CC1CC(N)C(C)O1;BPFCOIJGICXBBR-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185177;MM185177;C=CC1CC(F)C(C)O1;XQGLZAGLMVMSIX-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185178;MM185178;CC1OC(C#N)OC1C;NHBYHZTVGBNPHE-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185179;MM185179;C=CC1CC(C)N(C)C1;NMLPGDAAHYWMGN-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185180;MM185180;CC1CC(C=O)CN1C;FHDUBVNXZWXSGD-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185181;MM185181;CC1CN(C=N)CC1C;GAOBLGUDJXLCPS-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185182;MM185182;CC1CN(C=O)CC1C;OSCBIBRMECHMCI-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185183;MM185183;CC1CN(C=N)CC1N;GIQBKUUKKYFRPH-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185184;MM185184;CC1CN(C=O)CC1N;SMVLVXMLTWMRIE-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185185;MM185185;CC1CN(C=N)CC1O;SNVXWDIKQQLQJE-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185186;MM185186;CC1CN(C=O)CC1O;BRGRSOQEJUFOPI-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185187;MM185187;CC1CN(C=N)CC1F;UZTVYKPHBZYDLW-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185188;MM185188;CC1CN(C=O)CC1F;VLIPIOCLCKQZEC-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185189;MM185189;N=CN1CC(N)C(N)C1;IPYZALMTKCNMPU-UHFFFAOYSA-N;128.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185190;MM185190;NC1CN(C=O)CC1N;ZGCJKYMRQBPRGG-UHFFFAOYSA-N;129.16;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185191;MM185191;N=CN1CC(N)C(O)C1;ANEPTENLPFFUEC-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185192;MM185192;NC1CN(C=O)CC1O;PDXVDKUIHZFJSZ-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185193;MM185193;N=CN1CC(N)C(F)C1;NIWVRTWUOUKHRR-UHFFFAOYSA-N;131.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185194;MM185194;N=CN1CC(O)C(O)C1;VQXWLXBBIVDZFD-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185195;MM185195;O=CN1CC(O)C(O)C1;QBVYIDRZFMJKBM-UHFFFAOYSA-N;131.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185196;MM185196;C=NN1CC(C)C(C)C1;BVQQUHNFMKEXJT-UHFFFAOYSA-N;126.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185197;MM185197;C=NN1CC(C)C(N)C1;PLNCNENDBUEAJF-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185198;MM185198;N=C1C(O)CC(=O)N1N;KGXKLDHNEBQXTN-UHFFFAOYSA-N;129.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185199;MM185199;C=NN1CC(C)C(F)C1;JKBVPCYSJXYPNE-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185200;MM185200;C=NN1CC(N)C(N)C1;MBORSJWVVALMHD-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185201;MM185201;C=NN1CC(N)C(O)C1;FGPKXYLYUSQCHD-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185202;MM185202;N=c1c(N)c(F)on1O;JUDZKMXFHDQKOE-UHFFFAOYSA-N;133.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185203;MM185203;CC1CN(C=N)NC1C;FPPSGPSMSJZACD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185204;MM185204;CC1CN(C=O)NC1C;RNLBCCPXXUCDEF-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185205;MM185205;CC1NN(C=N)CC1N;PTCAATWVUOMUGZ-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185206;MM185206;CC1NN(C=O)CC1N;RRUVTNCBTBEESX-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185207;MM185207;CC1NN(C=N)CC1O;FEZGZWYTSNHKQB-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185208;MM185208;N=c1c(F)c(N)on1O;QOXAUYVJBROXLU-UHFFFAOYSA-N;133.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185209;MM185209;CC1NN(C=N)CC1F;RJWOBQGAAFUZOQ-UHFFFAOYSA-N;131.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185210;MM185210;CC1CN(C=O)OC1C;YUBUEVGSIGYXMN-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185211;MM185211;CC1ON(C=O)CC1N;CAWCSTYADFNSME-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185212;MM185212;C#CC1CC(C)C(C)C1;FJWNWZNTNAEYDB-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185213;MM185213;C#CC1CC(C)C(N)C1;PLCFFNDCOHPMMJ-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185214;MM185214;Cc1nc(O)n(N)c1N;AGSVBGMHBIJTQD-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185215;MM185215;C#CC1CC(C)C(F)C1;SYIXDJGTOPGXET-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185216;MM185216;C#CC1CC(N)C(N)C1;CRFWXUHPMUOVFA-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185217;MM185217;C#CC1CC(N)C(O)C1;NITLRRGCQNZFFR-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185218;MM185218;C#CC1CC(O)C(O)C1;BOMQLWLVFFRKEC-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185219;MM185219;C#CC1CC(O)C(F)C1;AHTDUQHKHUZYIZ-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185220;MM185220;C#CC1CC(C)C(C)N1;RUFJBJTXPZGXSS-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185221;MM185221;C#CC1CC(N)C(C)N1;KRWZLWPHGLICAR-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185222;MM185222;C#CC1CC(O)C(C)N1;LOYWBCFADDUSAD-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185223;MM185223;C#CC1CC(C)C(C)O1;KIDWVFXNSYYJOY-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185224;MM185224;C#CC1CC(C)N(C)C1;DCWDJRJVIQBCCZ-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185225;MM185225;C=C1CC(CC)CC1C;KQNVIYZFXGMNJB-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185226;MM185226;C=C1CC(CN)CC1C;MFCAEPRLAOXTCQ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185227;MM185227;CN1N=C(NN)CC1=O;CJIOGNFIRWNPTR-UHFFFAOYSA-N;128.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185228;MM185228;C=C1CC(CF)CC1C;XSNORZGREQIHEJ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185229;MM185229;CCC1CC(=O)C(C)C1;WQZKGCUNWUHDAC-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185230;MM185230;CC1CC(CO)CC1=O;CPRGNOKOHJWMJX-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185231;MM185231;CC1CC(CF)CC1=O;JTDIMWHFUHUGDL-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185232;MM185232;C=C1CC(CC)CC1N;QTIXJNJKQPIAIS-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185233;MM185233;C=C1CC(CN)CC1N;OKAWWGPLWVRIDY-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185234;MM185234;C=C1CC(CO)CC1N;WSPWJLRPTCIXGR-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185235;MM185235;NN=c1cc(F)on1O;FBBSTUVVTOPLMB-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185236;MM185236;C=C1CC(CN)CC1O;MKYPGKGOKWFCRS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185237;MM185237;C=C1CC(CO)CC1O;ZSJXIVAFQPHALD-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185238;MM185238;CCC1CC(=O)C(O)C1;CTTNXBNXAAJNTE-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185239;MM185239;C=C1CC(CC)CC1F;SUYMMVKCNYMPQI-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185240;MM185240;C=C1CC(CN)CC1F;DSVCCPJFROTPRB-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185241;MM185241;C=C1CC(CF)CC1F;JOMXFFUMHVTHAK-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185242;MM185242;C=C1CC(NC)CC1C;QEJPQRZUSZHTGM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185243;MM185243;CNC1CC(=O)C(C)C1;BRDCGUCZGAIEBS-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185244;MM185244;C=C1CC(NC)CC1N;SKAMBGFTFUBICP-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185245;MM185245;C=C1CC(NC)CC1O;WJRNQBXLHUKSJO-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185246;MM185246;CNC1CC(=O)C(O)C1;ZVMSKBAVOQIWFC-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185247;MM185247;C=C1CC(NC)CC1F;NBLNCEOIGQOLAS-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185248;MM185248;C=C1CC(OC)CC1C;UQAZYWHLAXRFIU-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185249;MM185249;COC1CC(=O)C(C)C1;BDBDPUOTYXLJGS-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185250;MM185250;CCC1CC(C)C(=N)N1;WPWKHPKZOKESJR-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185251;MM185251;CC1CC(CN)NC1=N;MNENLIKDLDZFQW-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185252;MM185252;CC1CC(CO)NC1=N;HFSIQGPLKFWCMV-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185253;MM185253;CCC1CC(C)C(=O)N1;ATOHDTBQPJZGGA-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185254;MM185254;CC1CC(CN)NC1=O;HJGPVVHXKBYDBE-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185255;MM185255;CCC1CC(N)C(=N)N1;BLTFCZNNBJDVJM-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185256;MM185256;N=C1NC(CN)CC1N;IQQLFGVTVDOIMZ-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185257;MM185257;N=C1NC(CO)CC1N;XGAWCHQMMCSAQV-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185258;MM185258;NCC1CC(N)C(=O)N1;NBGYPSBLAUMSGK-UHFFFAOYSA-N;129.16;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185259;MM185259;CCC1CC(O)C(=N)N1;BUJDXODTMDXCHF-UHFFFAOYSA-N;128.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185260;MM185260;N=C1NC(CN)CC1O;ZVIHRYJTLXOVHL-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185261;MM185261;CCC1CC(O)C(=O)N1;RORNXNGTANBPIH-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185262;MM185262;NCC1CC(O)C(=O)N1;WJOIYXRWJPRWLD-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185263;MM185263;C=C1OC(CC)CC1C;JGWXSFPPYKFDSU-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185264;MM185264;C=C1OC(CN)CC1C;KVPIOBLPOJYPDF-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185265;MM185265;C=C1OC(CO)CC1C;NLUFUIMVOZUDOY-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185266;MM185266;CCC1CC(C)C(=O)O1;YTALMPUNNICJOM-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185267;MM185267;CC1CC(CN)OC1=O;DUDNGBLEJMYJNL-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185268;MM185268;C=C1OC(CC)CC1N;FNIHYROBDUBDFJ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185269;MM185269;C=C1OC(CN)CC1N;LUPBEXZBXGHYNZ-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185270;MM185270;NCC1CC(N)C(=O)O1;VISMNWBAEVGUKY-UHFFFAOYSA-N;130.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185271;MM185271;C=C1OC(CC)CC1O;YCHOYJSUDDSMFC-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185272;MM185272;CCC1CC(O)C(=O)O1;NFHHVCIAYGZHKF-UHFFFAOYSA-N;130.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185273;MM185273;NCC1CC(O)C(=O)O1;LUVJLZCMFMWWFQ-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185274;MM185274;C=C1OC(CC)CC1F;ONMVRNAWKASBDE-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185275;MM185275;C=C1OC(OC)CC1C;SGJBKAFEHALBRP-UHFFFAOYSA-N;128.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185276;MM185276;COC1CC(C)C(=O)O1;KCZCPECTEIFCLS-UHFFFAOYSA-N;130.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185277;MM185277;C=C1CC(CC)NC1C;ASQWLCYPASOUSE-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185278;MM185278;C=C1CC(CN)NC1C;XKBRPLVHKMHGRG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185279;MM185279;C=C1CC(CO)NC1C;QCUHQWNOGJYVLL-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185280;MM185280;C=C1CC(CC)OC1C;JAQRYSWTAMXIKX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185281;MM185281;CCC1CC(=O)C(C)O1;NXOKMWFVSCOKQV-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185282;MM185282;CCC1CC(=N)N(C)C1;OFPVVMIQCXSDTI-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185283;MM185283;CN1CC(CN)CC1=N;VSFCFSQINRHXLD-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185284;MM185284;CN1CC(CO)CC1=N;VPVWMMNQYYJCSW-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185285;MM185285;CN1CC(CF)CC1=N;YDVDBXTZZHHIQM-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185286;MM185286;CCC1CC(=O)N(C)C1;RHGSQUDKMGXXHE-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185287;MM185287;CN1CC(CN)CC1=O;RYPUQUNUTILSAZ-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185288;MM185288;CN1CC(CO)CC1=O;AEJLDXOAORTQER-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185289;MM185289;CN1CC(CF)CC1=O;LAVVTLSJJBDFJO-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185290;MM185290;CCC1CC(=N)N(N)C1;ADNKUGGYVUWURE-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185291;MM185291;N=C1CC(CO)CN1N;VPMUEAWCWBRTPW-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185292;MM185292;N=C1CC(CF)CN1N;RDRHMOKDOTXIFM-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185293;MM185293;CCC1CC(=O)N(N)C1;HJGISFBLRXDKPQ-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185294;MM185294;CCCCCNNC=O;ORDZXZDEBCLRCM-UHFFFAOYSA-N;130.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185295;MM185295;NN1CC(CF)CC1=O;ZHKDQKSQJZMFCP-UHFFFAOYSA-N;132.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185296;MM185296;CCC1CC(=N)N(O)C1;HLUDKBXXMFTRAC-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185297;MM185297;N=C1CC(CN)CN1O;NJNMKAGNILUONO-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185298;MM185298;N=C1CC(CO)CN1O;RGTFTFUPXWHVJT-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185299;MM185299;N=C1CC(CF)CN1O;RSZAQDJFZWFGBR-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185300;MM185300;CNC1CC(=N)N(C)C1;YMDVYGMYSOLSGK-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185301;MM185301;CNC1CC(=O)N(C)C1;QKAGVDMTSULVQX-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185302;MM185302;CNC1CC(=N)N(N)C1;FQUHMHGBTWOMPK-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185303;MM185303;CNC1CC(=O)N(N)C1;RPOBDTDIAADLRH-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185304;MM185304;CNC1CC(=N)N(O)C1;IQJSGNQXMRVIMC-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185305;MM185305;COC1CC(=N)N(C)C1;HDPZLXWQNBHCKT-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185306;MM185306;COC1CC(=O)N(C)C1;SQSBKMQSVZGSQX-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185307;MM185307;COC1CC(=N)N(N)C1;GGBMOMIDQANJHZ-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185308;MM185308;NN=c1c(F)con1O;HHUITMDEUDELIY-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185309;MM185309;CCC1CN(C)C(=N)N1;QLAOPXREMBRPEB-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185310;MM185310;CCC1CN(C)C(=O)N1;WXSGJQFPYRGBHI-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185311;MM185311;CCC1CN(N)C(=N)N1;ZTWDAKBZQMZRNO-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185312;MM185312;CC(C)CC(C)NNC=O;PQYTZYSVXWENDU-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185313;MM185313;N=C1NC(CN)CN1O;ITANIHGJKBCWDG-UHFFFAOYSA-N;130.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185314;MM185314;N=C1NC(CO)CN1O;NYQWMQYETMTRSU-UHFFFAOYSA-N;131.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185315;MM185315;CCC1CN(O)C(=O)N1;XZLUGHOFBXAFNQ-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185316;MM185316;CCC1CN(C)C(=N)O1;SPLYCEOCXCGHFS-UHFFFAOYSA-N;128.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185317;MM185317;CN1CC(CN)OC1=N;QJHVFBMOQXTXHF-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185318;MM185318;CCC1CN(C)C(=O)O1;OEJGYJOUKPGWEB-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185319;MM185319;CCC1CN(N)C(=O)O1;LJVOUPZQFCJPFM-UHFFFAOYSA-N;130.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185320;MM185320;CN=CN(O)C=NC(N)=O;SYEITXKEKSAPLI-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185321;MM185321;CCC1CC(=N)N(C)N1;YZGOUZPFATYYCJ-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185322;MM185322;CN1NC(CN)CC1=N;DMFKWWMSFPGGOL-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185323;MM185323;CCC1CC(=O)N(C)N1;USWCTKDWXQRNIY-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185324;MM185324;CCC1CC(=N)N(C)O1;BTDGVNMATFAJPU-UHFFFAOYSA-N;128.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185325;MM185325;CCC1CC(=O)N(C)O1;DDFNUXSXKRZANR-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185326;MM185326;C=C1CN(CC)CC1C;COCJTIOYFBJRGA-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185327;MM185327;C=C1CN(CC)CC1N;CLZIASZPTRWNEL-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185328;MM185328;CCN1CC(C)C(=O)N1;DDHVVPAQMXDREE-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185329;MM185329;CCN1CC(N)C(=N)N1;NSRGSLIHCULKBW-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185330;MM185330;C=CC1CC(=C)C(C)C1;GYSULPPKVFHSAB-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185331;MM185331;C=C1CC(C=O)CC1C;QKAPYHNFXNKKFD-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185332;MM185332;C=C1CC(C#N)CC1C;PKKLFMZPMYZPCW-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185333;MM185333;C=CC1CC(=O)C(C)C1;AZVDAARPTVJGRE-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185334;MM185334;CC1CC(C=O)CC1=O;ZLKZHYUFXHQDEY-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185335;MM185335;CC1CC(C#N)CC1=O;ASZDHMUBUSUIJH-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185336;MM185336;C=CC1CC(=C)C(N)C1;NAUPMNNIRKTWTO-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185337;MM185337;CC(C)CC(C)C(=O)NN;DJXUHNXSQRSJQI-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185338;MM185338;C=C1CC(C=O)CC1O;WIFMHBFQBODHLS-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185339;MM185339;C=C1CC(C#N)CC1O;GNKBQQXRWSDIIH-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185340;MM185340;C=CC1CC(=O)C(O)C1;KWGNRBDPPDURFO-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185341;MM185341;O=CC1CC(=O)C(O)C1;VCEJYQBTNLUCDA-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185342;MM185342;C=C1CC(C=O)CC1F;KRLYWVPSHHUKOE-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185343;MM185343;C=C1CC(C#N)CC1F;JBYAAJJFSDBQQQ-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185344;MM185344;C=CC1CC(=O)C(F)C1;SRFDODBFGXUMNQ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185345;MM185345;O=CC1CC(=O)C(F)C1;KJHIPPJEOIVYCY-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185346;MM185346;N#CC1CC(=O)C(F)C1;JEXMOMKZLXBUAZ-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185347;MM185347;C=CC1CC(C)C(=N)N1;INDVCNSCAIJMAZ-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185348;MM185348;CC1CC(C=O)N=C1N;POEZZTTZAAKMCI-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185349;MM185349;CC1CC(C#N)NC1=N;TZDXSQBHNMESEY-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185350;MM185350;C=CC1CC(C)C(=O)N1;BYWNLVMSUVURHB-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185351;MM185351;CC1CC(C=O)NC1=O;JCUIQZNTAJPXRK-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185352;MM185352;CC1CC(C#N)NC1=O;FTARQRXKTNKWQV-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185353;MM185353;C=CC1CC(N)C(=N)N1;ULIJPRTVZZQPFP-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185354;MM185354;C=CC1CC(O)C(=N)N1;FOYAEKXVJHZXFD-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185355;MM185355;N#CC1CC(O)C(=N)N1;XEUSAJPSTRWUPJ-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185356;MM185356;C=CC1CC(O)C(=O)N1;HZDMPEYDUWSXMF-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185357;MM185357;O=CC1CC(O)C(=O)N1;ZKIZOQSECCQPHH-UHFFFAOYSA-N;129.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185358;MM185358;N#CC1CC(O)C(=O)N1;RLIWISLKQPNQSJ-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185359;MM185359;N#CC1CC(F)C(=O)N1;OTQFKGQTVSJKSF-UHFFFAOYSA-N;128.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185360;MM185360;C=CC1CC(C)C(=C)O1;BWQSSBKULIRGBE-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185361;MM185361;C=C1OC(C=O)CC1C;BUZQEILDFBNZMC-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185362;MM185362;C=C1OC(C#N)CC1C;JZUBUFZZPDXFPB-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185363;MM185363;C=CC1CC(C)C(=O)O1;QWIPYNUIFLSAGG-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185364;MM185364;CC1CC(C=O)OC1=O;YRALSSNYQDWPAU-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185365;MM185365;CC1CC(C#N)OC1=O;QYSHEWPEPPPSII-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185366;MM185366;C=CC1CC(N)C(=C)O1;CBPWMVZACJXCMN-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185367;MM185367;C=CC1CC(O)C(=C)O1;FLAFCTKMMUYFLW-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185368;MM185368;C=C1OC(C=O)CC1O;NLAIOHFDVKYCKW-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185369;MM185369;C=CC1CC(O)C(=O)O1;HUUCYSKXDBJPPC-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185370;MM185370;N#CC1CC(O)C(=O)O1;NXXOGLUPNKGGDY-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185371;MM185371;C=CC1CC(F)C(=C)O1;YLXLZVJKXJLAPX-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185372;MM185372;C=C1OC(C#N)CC1F;FEVZORXYIKYZDN-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185373;MM185373;C=CC1CC(=C)C(C)N1;IVJRUPMOIUQVOO-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185374;MM185374;C=C1CC(C#N)NC1C;YVCQTQZWBNXYCB-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185375;MM185375;CC(F)=CC(O)C(C)=NN;IJIOYKDUNWXKMP-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185376;MM185376;C=CC1CC(=C)C(C)O1;ZFKBWBAZFGDXLU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185377;MM185377;C=C1CC(C=O)OC1C;YLQICSKVKPBLCF-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185378;MM185378;C=C1CC(C#N)OC1C;YSTFDEJLRAYZLD-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185379;MM185379;C=CC1CC(=O)C(C)O1;YVRJXEVGJYNOKD-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185380;MM185380;CC1OC(C=O)CC1=O;HKVHDQOWTGFPIE-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185381;MM185381;CC1OC(C#N)CC1=O;CISMSIFHKLQMSS-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185382;MM185382;C=CC1OC(=C)C(C)O1;MTJCASHCXSODCX-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185383;MM185383;C=CC1CC(=N)N(C)C1;XNYUTKJIXRJGAE-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185384;MM185384;CN1CC(C=O)CC1=N;VJDSLPWMPNCVAE-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185385;MM185385;CN1CC(C#N)CC1=N;QPUQEVFMTKZJMR-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185386;MM185386;C=CC1CC(=O)N(C)C1;RLAMYLRTIMSWIT-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185387;MM185387;C=CC(C#N)C(=O)C(=N)N;YJJUFTFAVXZXJH-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185388;MM185388;CN1CC(C#N)CC1=O;BJKKPDLNTVOVON-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185389;MM185389;C=CC1CC(=N)N(N)C1;OBZYLGADQPKYJG-UHFFFAOYSA-N;125.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185390;MM185390;C=CC1CC(=O)N(N)C1;HXGWHEHUWOUEJT-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185391;MM185391;C=CC1CC(=N)N(O)C1;GMHPRUMMWOJMTO-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185392;MM185392;N=C1CC(C=O)CN1O;ULHYUSXSLDPGPG-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185393;MM185393;N#CC1CC(=N)N(O)C1;YXVSTCZQEXQRFM-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185394;MM185394;C=CC1CN(C)C(=N)N1;LDASMMKDTWECJO-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185395;MM185395;CN1CC(C=O)NC1=N;BZNMXHIFQCFTFN-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185396;MM185396;CN1CC(C#N)NC1=N;AFSULARIKUFCLX-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185397;MM185397;C=CC1CN(C)C(=O)N1;ULGFVAAVWMRKLZ-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185398;MM185398;CN1CC(C#N)NC1=O;WRTZWPBGNJKKAV-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185399;MM185399;C=CC1CN(N)C(=N)N1;KLHYXTHTSHMWAI-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185400;MM185400;CC(F)C(O)C=CC=NN;FJDUFGGTUQBCIP-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185401;MM185401;C=CC1CN(O)C(=N)N1;JQIDDFVOBSLSKX-UHFFFAOYSA-N;127.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185402;MM185402;NN=CC#CC(F)C(N)=O;CSMFNWQMZGPWJP-UHFFFAOYSA-N;143.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185403;MM185403;C=CC1CN(O)C(=O)N1;HGNUTPLDJWKIEO-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185404;MM185404;O=CC1CN(O)C(=O)N1;XHWWPILKBPPDOL-UHFFFAOYSA-N;130.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185405;MM185405;N#CC1CN(O)C(=O)N1;RLWGXEPTBFVGBC-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185406;MM185406;C=CC1CN(C)C(=N)O1;SWKMWUAIANKPEG-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185407;MM185407;C=CC1CN(C)C(=O)O1;YZJNUABVNAFQFK-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185408;MM185408;CN1CC(C#N)OC1=O;HQHBFNGQBFOPKN-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185409;MM185409;C=NN1CC1C(C)(O)CO;ILXUOUXHPZQOPQ-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185410;MM185410;C=CC1CC(=N)N(C)N1;HRPIECAJUPREGA-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185411;MM185411;CN1NC(C=O)CC1=N;CUBIMADMDBYMND-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185412;MM185412;CN1NC(C#N)CC1=N;GMPWXIAOFJAWJC-UHFFFAOYSA-N;124.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185413;MM185413;C=CC1CC(=O)N(C)N1;ZAHPTSLNFJCCRJ-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185414;MM185414;CCC(C)C(C)C(=O)NN;RWVKJEWERDOWDC-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185415;MM185415;C=CC1CC(=N)N(C)O1;PEEVIGICMGPQOW-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185416;MM185416;C=CC1CC(=O)N(C)O1;DENRBHZXMNCVCD-UHFFFAOYSA-N;127.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185417;MM185417;C=C1CN(C=N)CC1C;BLFBVTQAUBJCQR-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185418;MM185418;C=C1CN(C=O)CC1C;VNLOWWIXOZEYKL-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185419;MM185419;CC1CN(C=N)CC1=O;GGQVILNOXVWJMM-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185420;MM185420;CC(C#N)=C(N)C(O)CO;NDPHEQWNUMGGQL-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185421;MM185421;C=C1CN(C=N)CC1N;CGUTUIHGDGDQBE-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185422;MM185422;C=C1CN(C=O)CC1N;BLQOWGRJBACDPL-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185423;MM185423;C=C1CN(C=N)CC1O;DYMGNHLEHZHFCT-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185424;MM185424;C=C1CN(C=O)CC1O;VIVYOUVLXVLTHR-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185425;MM185425;N=CN1CC(=O)C(O)C1;SJSPDFTYGLLRSP-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185426;MM185426;O=CN1CC(=O)C(O)C1;JKIBLGWACABTED-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185427;MM185427;C=C1CN(C=N)CC1F;AMFZKVSXKKLKFS-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185428;MM185428;C=C1CN(C=O)CC1F;QRSQYTKHEBGGFH-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185429;MM185429;C=NN1CC(=C)C(C)C1;RAIJCBFWAVQSIN-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185430;MM185430;CCC(C)C(C)NNC=O;IJYNKKYLKAXLDW-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185431;MM185431;C=NN1CC(=C)C(N)C1;FJVJYYHYWDRZBK-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185432;MM185432;CCCCC(C)C(=O)NN;TZFYIDJPXRSZLL-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185433;MM185433;C=NNCC(=C)C(O)CF;FXCHNKUBVKDKOP-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185434;MM185434;C=NN1CC(=C)C(F)C1;RZGNCBNVZRUNHG-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185435;MM185435;CC1CN(C=N)NC1=N;QDVXSIZSTWSQIA-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185436;MM185436;CC1CN(C=O)NC1=N;SMIYHBBTVWRFKA-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185437;MM185437;CC1CN(C=N)NC1=O;XYXDQOVVDOZQGA-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185438;MM185438;CC1CN(C=O)NC1=O;PCGZCPRQZOXJCC-UHFFFAOYSA-N;128.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185439;MM185439;N=CN1CC(N)C(=N)N1;CKXZLPHUKMBXEE-UHFFFAOYSA-N;127.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185440;MM185440;N=CN1CC(O)C(=N)N1;PRJZULPLKQYDGQ-UHFFFAOYSA-N;128.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185441;MM185441;O=CN1CC(O)C(=O)N1;ZHUBHLIVXANNIE-UHFFFAOYSA-N;130.1;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185442;MM185442;CC1CN(C=O)OC1=O;UJXCTRPDUAOPNA-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185443;MM185443;N=CN1CC(N)C(=O)O1;CRXLBQPVJOWRAE-UHFFFAOYSA-N;129.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185444;MM185444;NC1CN(C=O)OC1=O;OGNCIPCVUCJNLO-UHFFFAOYSA-N;130.1;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185445;MM185445;N=C(NO)C(F)=CNC=O;NTEAPHUTXHRFBI-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185446;MM185446;O=CN1CC(O)C(=O)O1;VYVNONSQZVUGKF-UHFFFAOYSA-N;131.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185447;MM185447;C=C1CN(C=N)NC1C;YOXHLWZZKFGZRF-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185448;MM185448;C=C1CN(C=O)NC1C;UXFQEPUDUNHUEG-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185449;MM185449;CC1NN(C=N)CC1=O;JMTRUYPJHTVKRK-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185450;MM185450;CC=CCC=CC(=O)NN;LTCQLXRNXLIJFZ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185451;MM185451;C=C1CN(C=O)OC1C;MRDKJZXPNCLQSU-UHFFFAOYSA-N;127.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185452;MM185452;C#CC1CC(=C)C(C)C1;FDGSQFRZWSFAMN-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185453;MM185453;C#CC1CC(=O)C(C)C1;AEUVRYBIZPIOCS-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185454;MM185454;C#CC1CC(=C)C(N)C1;LMLCXOCMRCVJCV-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185455;MM185455;CCCC(CC)C(=O)NN;VUZUKHXVTNNTLN-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185456;MM185456;C#CC1CC(=O)C(O)C1;PFHLTPGROTZTDY-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185457;MM185457;C#CC1CC(=C)C(F)C1;QWWBFSAOSPZAJW-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185458;MM185458;C#CC1CC(C)C(=N)N1;QTBSXEMSZNWUBG-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185459;MM185459;C#CC1CC(C)C(=O)N1;JYYFONDPPGFDCQ-UHFFFAOYSA-N;123.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185460;MM185460;C#CC1CC(N)C(=N)N1;FAXGJWFBMJFDKP-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185461;MM185461;C#CC1CC(O)C(=N)N1;XCQOECDFHGPMTE-UHFFFAOYSA-N;124.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185462;MM185462;C#CC1CC(O)C(=O)N1;LJPUJOIJWPOZKN-UHFFFAOYSA-N;125.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185463;MM185463;C#CC1CC(F)C(=N)N1;WHUDIHBEJDPAOG-UHFFFAOYSA-N;126.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185464;MM185464;C#CC1CC(F)C(=O)N1;PDWOGHZYNJGBTB-UHFFFAOYSA-N;127.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185465;MM185465;C#CC1CC(C)C(=C)O1;HJVVJFMQDKAJMU-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185466;MM185466;C#CC1CC(C)C(=O)O1;ZQUOFWVCPVUNRW-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185467;MM185467;C#CC1CC(N)C(=C)O1;LOLAPENCPLRZGJ-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185468;MM185468;C#CC1CC(O)C(=C)O1;QEYFJYGPJOKALJ-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185469;MM185469;C#CC1CC(O)C(=O)O1;NLVGQGZTRITOOF-UHFFFAOYSA-N;126.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185470;MM185470;C#CC1CC(F)C(=C)O1;OQOORBWFYAOELZ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185471;MM185471;C#CC1CC(=C)C(C)N1;OOUMIZYQWVXXCD-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185472;MM185472;C#CC1CC(=C)C(C)O1;NJUGYITTZUOUQP-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185473;MM185473;C#CC1CC(=O)C(C)O1;XLDICLSPFAOYMA-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185474;MM185474;C#CC1OC(=C)C(C)O1;CEKOLFFVBMHLAQ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185475;MM185475;C#CC1CC(=N)N(C)C1;FOKRFUGCPSXUIN-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185476;MM185476;C#CC1CC(=N)N(N)C1;MWJWBPITOMVNEP-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185477;MM185477;C#CC1CC(=O)N(N)C1;QHVRXMYYRFFNBT-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185478;MM185478;C#CC1CC(=N)N(O)C1;UDWZQWSDEGAFSD-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185479;MM185479;C#CC1CN(C)C(=N)N1;IDIAPMBPHJRSHE-UHFFFAOYSA-N;123.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185480;MM185480;C#CC1CN(C)C(=O)N1;GQJLZFLMYPCSRC-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185481;MM185481;C#CC1CN(N)C(=N)N1;DHQVEAFAOXPIBR-UHFFFAOYSA-N;124.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185482;MM185482;CCCC(CC)NNC=O;KZIOIZWFWJTKKG-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185483;MM185483;C#CC1CN(O)C(=N)N1;RJCUXURUHCRMAN-UHFFFAOYSA-N;125.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185484;MM185484;C#CC1CN(O)C(=O)N1;ISLVKVKFYLZXOT-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185485;MM185485;C#CC1CN(C)C(=O)O1;CTXDXIPPQLEBOR-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185486;MM185486;C#CC1CN(N)C(=O)O1;BPCBFTXPPPEKNC-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185487;MM185487;CNN(C(N)=O)C(=O)CO;LUSJLANFJIYCKL-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185488;MM185488;C#CC1CC(=N)N(C)N1;DPJQOHGBOFPMLQ-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185489;MM185489;N=c1c(F)nn(C=O)n1O;CEPDSVQLKKCKCQ-UHFFFAOYSA-N;146.08;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185490;MM185490;C#CC1CC(=O)N(C)O1;AHAPUUUZFIBXGU-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185491;MM185491;C=C1CC(CC)CC1=C;ZYNXSPNJBKGYRB-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185492;MM185492;C=C1CC(CN)CC1=C;SJBJBJGVIZFIBT-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185493;MM185493;Cn1c(=NN)cc(F)n1O;CHBDDRZWWQFMFN-UHFFFAOYSA-N;146.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185494;MM185494;C=C1CC(CF)CC1=C;NUBKHHMOXUJESV-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185495;MM185495;C=C1CC(CC)CC1=O;QMFGZSQPWHSUAS-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185496;MM185496;C=C1CC(CO)CC1=O;FRONRIVDQOFKJY-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185497;MM185497;C=C1CC(CF)CC1=O;HOEADNBZFHPQTD-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185498;MM185498;CCC1CC(=O)C(=O)C1;XSVBIOHFPGTLKZ-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185499;MM185499;O=C1CC(CO)CC1=O;APPBTPPLSJKOQU-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185500;MM185500;O=C1CC(CF)CC1=O;ACZIZLCCGKQOBI-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185501;MM185501;C=C1CC(NC)CC1=C;MIASGUVBLBCMAW-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185502;MM185502;C=C1CC(NC)CC1=O;ZBQJSSXANPPYTN-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185503;MM185503;CNC1CC(=O)C(=O)C1;NYPQIHDTKHYIGA-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185504;MM185504;C=C1CC(OC)CC1=C;JLKFTLZOHPSGJQ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185505;MM185505;C=C1CC(OC)CC1=O;QELQXJMBUUUNBL-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185506;MM185506;COC1CC(=O)C(=O)C1;CRCYNQWSGQEYPG-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185507;MM185507;C=C1CC(CC)NC1=N;KMKFVNBUDYCIMR-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185508;MM185508;C=C1CC(CN)NC1=N;WDLRZKNEBPYBLQ-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185509;MM185509;C=C1CC(CO)NC1=N;RQPAIRJVLORBAY-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185510;MM185510;C=C1CC(CC)NC1=O;XVUWMCJNMDQXKX-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185511;MM185511;C=C1CC(CN)NC1=O;VHOAKRLWMWWOPF-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185512;MM185512;C=C1CC(CO)NC1=O;GTTMBZGOMAEFOI-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185513;MM185513;CCC1CC(=O)C(=N)N1;WBUCTGIMOCBJSB-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185514;MM185514;CCC1CC(=O)C(=O)N1;WACYVMAEKNZXPD-UHFFFAOYSA-N;127.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185515;MM185515;C=C1CC(CC)OC1=C;QXEIHVQYQLCLJR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185516;MM185516;C=C1CC(CN)OC1=C;BQJGQBLFMLQYLF-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185517;MM185517;C=C1CC(CO)OC1=C;PNLWNGXFESSNAS-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185518;MM185518;C=C1CC(CC)OC1=O;FXWWAVREXBDOSP-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185519;MM185519;C=C1CC(CN)OC1=O;RHSPZWRGNQFVQQ-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185520;MM185520;CCC1CC(=O)C(=O)O1;NGEABPIXROYXEY-UHFFFAOYSA-N;128.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185521;MM185521;C=C1CN(CC)CC1=C;XQWKZATWGKXWJH-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185522;MM185522;C=C1CN(CC)CC1=O;DPAIUSYGAMMVAG-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185523;MM185523;CCn1cc(O)c(O)c1;KDLFFCZJWWONAB-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185524;MM185524;C=C1CN(CC)NC1=N;ZGCMJSWSTNHONL-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185525;MM185525;C=C1CN(CC)NC1=O;NSFWGEVEHZZHTI-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185526;MM185526;Cn1c(F)c(F)n(O)c1=O;AWFUSZCBXZXZOM-UHFFFAOYSA-N;150.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185527;MM185527;O=c1ncc(CF)nn1O;GFXCQQXZCRYIEL-UHFFFAOYSA-N;145.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185528;MM185528;C=CC1=CC(C=NN)=CC1;JYQFMCCDYJUJCG-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185529;MM185529;Nc1nc(=O)n(O)cc1F;ZRZQTWYENLEMCY-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185530;MM185530;NN=CC1=CC(=NN)OC1;INKIHCAEPJHZIZ-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185531;MM185531;CCn1oc(=O)c(=O)o1;VSUMSZKQMDJVHZ-UHFFFAOYSA-N;131.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185532;MM185532;C=CC1CC(=C)C(=C)C1;OCSMYCCOWWHYPK-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185533;MM185533;C=C1CC(C=O)CC1=C;OINPJNNMAOOERA-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185534;MM185534;C=C1CC(C#N)CC1=C;UGEAISDVPPZMLV-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185535;MM185535;C=CC1CC(=C)C(=O)C1;ZHCHKMMMSMLJCC-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185536;MM185536;C=C1CC(C=O)CC1=O;JZIHIMNBCITWKE-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185537;MM185537;C=C1CC(C#N)CC1=O;PFQDJDSNBHDQRC-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185538;MM185538;C=CC1CC(=O)C(=O)C1;NCMJUUBSHQUGHA-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185539;MM185539;O=CC1CC(=O)C(=O)C1;VVXUQDZRBVVPDD-UHFFFAOYSA-N;126.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185540;MM185540;N#CC1CC(=O)C(=O)C1;ZGTVOYFLNZQREU-UHFFFAOYSA-N;123.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185541;MM185541;C=CC1CC(=C)C(=N)N1;NWZMXVIAEBPEQO-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185542;MM185542;C=C1CC(C=O)NC1=N;VULMWBRSRKJRIB-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185543;MM185543;C=C1CC(C#N)NC1=N;HQOBEMQSACUDAH-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185544;MM185544;C=CC1CC(=C)C(=O)N1;OYJNLOJNWJWNRI-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185545;MM185545;C=C1CC(C=O)NC1=O;VLBSZLOQHMLDSQ-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185546;MM185546;C=C1CC(C#N)NC1=O;UCOXIRWYTHMDQJ-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185547;MM185547;C=CC1CC(=O)C(=N)N1;LCZVNANGQLIIOZ-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185548;MM185548;NN=c1c(N)c(N)on1O;XVGNLOPOPBTTHK-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185549;MM185549;C=CC1CC(=O)C(=O)N1;FPBCLYUHPQGXOZ-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185550;MM185550;O=CC1CC(=O)C(=O)N1;JPKWTCVKNWAOAS-UHFFFAOYSA-N;127.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185551;MM185551;N#CC1CC(=O)C(=O)N1;QJQSLRGPBVVQEF-UHFFFAOYSA-N;124.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185552;MM185552;C=CC1CC(=C)C(=C)O1;WFOAMENELAGPPE-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185553;MM185553;C=C1CC(C=O)OC1=C;NMFSZJMIQUWHCN-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185554;MM185554;C=C1CC(C#N)OC1=C;WPFQHHDBNHZPAX-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185555;MM185555;C=CC1CC(=C)C(=O)O1;MDLDJYNOSODGEM-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185556;MM185556;C=C1CC(C=O)OC1=O;BENRWMJNCXCOGM-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185557;MM185557;C=C1CC(C#N)OC1=O;ODLKTIWXBQRGJA-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185558;MM185558;C=CC1CC(=O)C(=C)O1;ZCFNMNPBYPAEHA-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185559;MM185559;C=C1OC(C=O)CC1=O;GITYMZFHDSKWNB-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185560;MM185560;C=C1OC(C#N)CC1=O;WJTTVUBDUIRBJB-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185561;MM185561;C=CC1CC(=O)C(=O)O1;BKAKASWJXSCVGN-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185562;MM185562;N#CC1CC(=O)C(=O)O1;GMIHJGLSEXDQNI-UHFFFAOYSA-N;125.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185563;MM185563;C=CC1OC(=C)C(=C)O1;XIRMFOICFXVEIV-UHFFFAOYSA-N;124.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185564;MM185564;C=C1OC(C#N)OC1=C;IBQOWVXJQABIIE-UHFFFAOYSA-N;123.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185565;MM185565;C=C1CN(C=N)CC1=C;MPDCDJMFQLSJCJ-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185566;MM185566;C=C1CN(C=O)CC1=C;NYBJIJKFKCXNIX-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185567;MM185567;C=C1CN(C=N)CC1=O;MMNNGVJAMMVEGV-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185568;MM185568;CN=c1c(N)c(F)on1O;BJYNBIPMEVMOAA-UHFFFAOYSA-N;147.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185569;MM185569;C=NN1CC(=C)C(=C)C1;DJRUFLWLZKRPPW-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185570;MM185570;Cc1on(O)c(=NN)c1F;BWAOAMVYNJBOBB-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185571;MM185571;C=C1CN(C=N)NC1=N;GZJAJJJBVLCFRS-UHFFFAOYSA-N;124.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185572;MM185572;C=C1CN(C=O)NC1=N;JYWMVHJBMFYYED-UHFFFAOYSA-N;125.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185573;MM185573;C=C1CN(C=O)NC1=O;XTXBIHXUYLQJNI-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185574;MM185574;O=c1cc(F)on(O)c1=O;JWVFKGHGAFSPCN-UHFFFAOYSA-N;147.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185575;MM185575;Cn1oc(=NN)n(O)c1=O;VZFYMSURUAOFAF-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185576;MM185576;C=C1CN(C=N)OC1=O;SCWQIUJTAJECLP-UHFFFAOYSA-N;126.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185577;MM185577;C=C1CN(C=O)OC1=O;JYGAXNNTJOKDAP-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185578;MM185578;CN=c1c(F)c(N)on1O;JAPAUJHJVYFFCM-UHFFFAOYSA-N;147.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185579;MM185579;C=CC(C)(O)C(C)=NN;QICGGNYXRXNWRQ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185580;MM185580;Nc1nn(C=O)nc1N;RCUPWVDLFUNWQB-UHFFFAOYSA-N;127.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185581;MM185581;CN(C=O)C(=O)NNC=O;KANNBOWZILVZSG-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185582;MM185582;NC(=O)N=CN(N)C=O;PFHARMWUPGUIAM-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185583;MM185583;CON=CC(O)CC#N;RDGDGBCASHPRDP-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185584;MM185584;Nc1nn(C=O)oc1=O;VXOZJBLHAAUZCD-UHFFFAOYSA-N;129.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185585;MM185585;Cn1oc(=NO)c(F)c1O;BLLNHWOOSHHJFH-UHFFFAOYSA-N;148.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185586;MM185586;O=c1nc(CO)on1O;VPEZRXSZBPGDKZ-UHFFFAOYSA-N;132.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185587;MM185587;CC(O)C(=O)CC(=O)C=O;NMKVBNOHTYXOFF-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185588;MM185588;C=Cn1oc(=O)c(=O)o1;OAHPUBJHGUIRIB-UHFFFAOYSA-N;129.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185589;MM185589;N=Cn1oc(=O)c(=O)o1;PFNRHBCZDHBNKW-UHFFFAOYSA-N;130.06;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185590;MM185590;O=Cn1oc(=O)c(=O)o1;APZGQXRWRDZUBT-UHFFFAOYSA-N;131.04;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185591;MM185591;C#CC1CC(=C)C(=C)C1;ZNRPAVHONMACIC-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185592;MM185592;C#CC1CC(=C)C(=O)C1;WDCPIJPOBUHUQD-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185593;MM185593;C#CC1CC(=O)C(=O)C1;OLPHGGUKVRAPJD-UHFFFAOYSA-N;122.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185594;MM185594;C#CC1CC(=C)C(=N)N1;POOWAEXBUUPGMX-UHFFFAOYSA-N;120.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185595;MM185595;C#CC1CC(=C)C(=O)N1;YCQCIYGZXXPALS-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185596;MM185596;CON=CCC(O)C=O;UTAUHOWPJQJXRO-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185597;MM185597;C#CC1CC(=O)C(=O)N1;QVJZGXGNKGMUCD-UHFFFAOYSA-N;123.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185598;MM185598;C#CC1CC(=C)C(=C)O1;IGHROZNROKFFOJ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185599;MM185599;C#CC1CC(=C)C(=O)O1;LCOLVCBDQNEPGC-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185600;MM185600;C#CC1CC(=O)C(=C)O1;JTLYUWJMEIOXPW-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185601;MM185601;C#CC1CC(=O)C(=O)O1;IVYIDSXYSQPSAD-UHFFFAOYSA-N;124.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185602;MM185602;C#CC1OC(=C)C(=C)O1;PBEPFBSIDVQHBH-UHFFFAOYSA-N;122.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185603;MM185603;C#CC1OC(=C)C(=O)O1;XYBCYIBIRPIVHR-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185604;MM185604;CC=C1CC(C)C(C)C1;OZVPKWZYLSENFK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185605;MM185605;CC1CC(=CF)CC1C;FBVJEDVROPXQQG-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185606;MM185606;CC=C1CC(C)C(N)C1;RBUIPFPUMJCKEH-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185607;MM185607;CC1CC(=CF)CC1N;FEVZYOAPRITBJO-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185608;MM185608;CC=Cc1nc(N)n[nH]1;YOUQTWCWTGQPPP-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185609;MM185609;CC1CC(=CF)CC1O;NUVFUBBTHIIXQT-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185610;MM185610;CC=C1CC(C)C(F)C1;IHWIUACCPARZLV-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185611;MM185611;CC1CC(=CF)CC1F;XTRCFIKQUZMOCF-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185612;MM185612;CC=C1CC(N)C(N)C1;AVYUYXUSWZZVAO-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185613;MM185613;NC1CC(=CF)CC1N;BBGCYSJFAZXRFA-UHFFFAOYSA-N;130.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185614;MM185614;CC=C1CC(N)C(O)C1;WQBHERWWYVCYTH-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185615;MM185615;NC1CC(=CF)CC1O;KCERRCAXRBMOIE-UHFFFAOYSA-N;131.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185616;MM185616;CC=C1CC(N)C(F)C1;JXQWTESXGGRZOY-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185617;MM185617;CC=C1CC(O)C(O)C1;PLAMPNHBVCLUGW-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185618;MM185618;OC1CC(=CF)CC1O;DBACENNBJZXXDK-UHFFFAOYSA-N;132.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185619;MM185619;CC=C1CC(O)C(F)C1;KNMCMRMFIWBPFT-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185620;MM185620;CC=C1CC(F)C(F)C1;NQEJCHYDAUDUAW-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185621;MM185621;CC1CC(=NN)CC1C;GBGRTOXKHRJVTN-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185622;MM185622;CC1CC(=NO)CC1C;RPYRQMHRTRZKGD-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185623;MM185623;CC1CC(=NO)CC1N;ONXJPZNFAAEEHH-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185624;MM185624;CC1C(O)C=NN1C=N;ZARBMPFFBUGKCV-UHFFFAOYSA-N;127.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185625;MM185625;CC1CC(=NO)CC1O;ORXNCRQZIKSWQS-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185626;MM185626;CC1CC(=NN)CC1F;DAWGTTNQVYBAOD-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185627;MM185627;CC1CC(=NO)CC1F;QSHYEOXUEMEZRI-UHFFFAOYSA-N;131.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185628;MM185628;NC1CC(=NO)CC1N;ROKFQBRNSVPJHT-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185629;MM185629;NC1CC(=NO)CC1O;PTQGPTRSLDYGSC-UHFFFAOYSA-N;130.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185630;MM185630;NC1CC(=NO)CC1F;ZYAOTWZMPMJMLF-UHFFFAOYSA-N;132.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185631;MM185631;C=CN(N=C)C(=O)CO;ALEAUJOEHFVZPX-UHFFFAOYSA-N;128.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185632;MM185632;ON=C1CC(O)C(O)C1;WOOCAWKRBHJNES-UHFFFAOYSA-N;131.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185633;MM185633;C#Cc1cc(NO)n[nH]1;LUQCSHJAWOMBTF-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185634;MM185634;CN=C1CC(C)C(C)N1;LQHAQDBHXOQKSB-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185635;MM185635;CC1CC(=NN)NC1C;NRSMXDXBEUHCCU-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185636;MM185636;C=NNCC(O)C(C)(C)O;KTNQFUJNCWJGDA-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185637;MM185637;CN=C1CC(N)C(C)N1;FXGWPWFYUWUKIE-UHFFFAOYSA-N;127.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185638;MM185638;CN=C1CC(O)C(C)N1;AXUSBIFRQGOHEP-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185639;MM185639;CC1N=C(NN)CC1O;SEFSWMJFEZFVAQ-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185640;MM185640;CN=C1CC(F)C(C)N1;IRDJUDMZTUNMDL-UHFFFAOYSA-N;130.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185641;MM185641;CC=C1CC(C)C(C)O1;XEKCFLVLKLJHMT-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185642;MM185642;CC=C1CC(N)C(C)O1;XTARXZQJQKESEJ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185643;MM185643;CC=C1CC(O)C(C)O1;NQAOLTWEPMZUTF-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185644;MM185644;CC=C1CC(F)C(C)O1;SJFJXCLYFNGCGD-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185645;MM185645;CN(C)N=CCC(O)C=O;SVMWUJCVMMRDCG-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185646;MM185646;CC1CC(=NO)OC1C;OGHDZPAQBHDHHO-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185647;MM185647;N#CC=C(N)CC(O)C=O;FERTXVPUBSZHFU-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185648;MM185648;CN=C1NC(C)C(C)N1;XQAHGKAIBRJIPF-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185649;MM185649;CC1NC(=NN)NC1C;YRMXRERPQXMSOP-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185650;MM185650;CC(=O)NC(N)=C(C)C#N;XPRFDASOXDICRV-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185651;MM185651;CC=C1CC(C)N(C)C1;ZHYYJZUDMQOEBV-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185652;MM185652;CC1CC(=CF)CN1C;LIGRLKRTLBTDPH-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185653;MM185653;CN=C1CC(C)N(C)N1;ODUYPWQGPPSLFE-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185654;MM185654;N#CC(=CN)CC(O)C=O;PWPCZMAUGKVXSE-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185655;MM185655;C=C1CC(=CC)CC1C;RVWWJOBWFBXVJA-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185656;MM185656;C=C1CC(=CF)CC1C;GLJAARYYJKLWIP-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185657;MM185657;CC=C1CC(=O)C(C)C1;XWONCRLKGKNUBS-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185658;MM185658;CC1CC(=CF)CC1=O;NVTPDZXNIMDRHR-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185659;MM185659;C=C1CC(=CC)CC1N;KNEHDSIHHLYTQB-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185660;MM185660;C=C1CC(=CF)CC1N;YIPYGQBINDYAPC-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185661;MM185661;COC(=O)N(N)C(=O)CO;MWISXKAEQZGKDF-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185662;MM185662;C=C1CC(=CF)CC1O;SDCBSQFSTJXIGR-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185663;MM185663;CC=C1CC(=O)C(O)C1;FXNJGUGGDYJSKP-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185664;MM185664;O=C1CC(=CF)CC1O;YAXKCOWVOGISAS-UHFFFAOYSA-N;130.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185665;MM185665;C=C1CC(=CC)CC1F;QMRICOWAKAZNCP-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185666;MM185666;C=C1CC(=CF)CC1F;XEMOTFICYWPQMH-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185667;MM185667;CC=C1CC(=O)C(F)C1;ULEQLOQWWXITGA-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185668;MM185668;C=C1CC(=NN)CC1C;ALFBRKAGSHSXKH-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185669;MM185669;C=C1CC(=NO)CC1C;JKRDAYQSYBSALF-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185670;MM185670;CC1CC(=NO)CC1=O;IALXIETTYWALGX-UHFFFAOYSA-N;127.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185671;MM185671;C=C1CC(=NO)CC1N;ZHQFZGHCLWIYAY-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185672;MM185672;CCC(C)=C(C)C(=O)NN;OFXGJCFRCDOQPO-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185673;MM185673;C=C1CC(=NO)CC1O;GNQCAVOBRLYOEC-UHFFFAOYSA-N;127.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185674;MM185674;O=C1CC(=NO)CC1O;QGGFESBPRZLKPH-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185675;MM185675;C=C1CC(=NN)CC1F;PIHIHPMTCFYPMC-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185676;MM185676;C=C1CC(=NO)CC1F;WXWCIHGZSPHYKL-UHFFFAOYSA-N;129.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185677;MM185677;O=C1CC(=NO)CC1F;QSDPWBIHLYUCRU-UHFFFAOYSA-N;131.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185678;MM185678;CC=C1CC(C)C(=N)N1;PTWRXXMYIUAKJC-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185679;MM185679;CC1CC(=CF)NC1=N;KIHAFJBBKQSEEM-UHFFFAOYSA-N;128.15;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185680;MM185680;CC=C1CC(C)C(=O)N1;DFLBBKOTQFIRCR-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185681;MM185681;CC1CC(=CF)NC1=O;IUKHTTHYZINZBI-UHFFFAOYSA-N;129.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185682;MM185682;CC=C1CC(N)C(=N)N1;XFNSNXQWHSYGJJ-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185683;MM185683;N=C1NC(=CF)CC1N;LWVSNCVDSSDTST-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185684;MM185684;CC=C1CC(O)C(=N)N1;PZGNHGRXYGTUDY-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185685;MM185685;N=C1NC(=CF)CC1O;YGYOJMHYQGPXDE-UHFFFAOYSA-N;130.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185686;MM185686;CC=C1CC(O)C(=O)N1;QLGASMIHTGZHGU-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185687;MM185687;C=C1NC(=NC)CC1C;AINNQQKKSHQIRM-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185688;MM185688;C=C1NC(=NN)CC1C;QSYQVTFPBOYUIC-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185689;MM185689;N=CN(N)C(=O)CC=NN;CBOHQFKURRPDMG-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185690;MM185690;CN=C1CC(C)C(=N)N1;DPPWQLNQGBDVAM-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185691;MM185691;CC1CC(=NN)NC1=N;PQLAJLLQTNWQFZ-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185692;MM185692;CNC(=O)CC=NOC=O;ATQSLQMDQNEYFQ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185693;MM185693;CC1CC(=NN)NC1=O;WITPQTGSUPVBGU-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185694;MM185694;CC1CC(=NO)NC1=O;BFRLZBRVKZTIMR-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185695;MM185695;C=C1NC(=NC)CC1N;IHDREZKNCAOIJX-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185696;MM185696;CN=C1CC(N)C(=N)N1;XYYHTCCOLKQFFB-UHFFFAOYSA-N;126.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185697;MM185697;C=C1NC(=NC)CC1O;IRNMBKQZWGZPQA-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185698;MM185698;C=C1N=C(NN)CC1O;GKMIPAURTIZYHV-UHFFFAOYSA-N;127.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185699;MM185699;CNN=CC(CO)NC=O;KLQDBSCQNQMQDA-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185700;MM185700;CN=C1CC(O)C(=O)N1;UGMPYVZKYBAMCU-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185701;MM185701;NN=C1CC(O)C(=O)N1;GUGLFYJIAAHKFB-UHFFFAOYSA-N;129.12;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185702;MM185702;O=C1NC(=NO)CC1O;FOTTZMAECOWMPV-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185703;MM185703;C=C1NC(=NC)CC1F;ZCJZLXWQGAHJRR-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185704;MM185704;C=C1N=C(NN)CC1F;GEOPXNBWZNGLMC-UHFFFAOYSA-N;129.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185705;MM185705;C=C1NC(=NO)CC1F;GJVVBTQLOSDARH-UHFFFAOYSA-N;130.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185706;MM185706;CC=C(C(=O)NN)C(C)C;SWJPMRUCGDTQQQ-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185707;MM185707;N=C1NC(=NO)CC1F;DEMXVXZSLVLVNY-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185708;MM185708;C=C1OC(=CC)CC1C;PDIHARMYXCFQKT-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185709;MM185709;C=C1OC(=CF)CC1C;GCTHJGOOSOACEN-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185710;MM185710;CC=C1CC(C)C(=O)O1;XBNLGWYIDIYISP-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185711;MM185711;CC1CC(=CF)OC1=O;XNEAWFUGVRQFML-UHFFFAOYSA-N;130.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185712;MM185712;C=C1OC(=CC)CC1N;GIJZLGLXTFBYMQ-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185713;MM185713;C=C1OC(=CF)CC1N;WGYOGFHCNKTZLY-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185714;MM185714;C=C1OC(=CC)CC1O;AUZGTFOVEXMPQA-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185715;MM185715;CC=C1CC(O)C(=O)O1;ANUVDWZDHWAWFV-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185716;MM185716;C=C1OC(=CC)CC1F;QVMHSMZURKTYDT-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185717;MM185717;N=c1c(=O)c(F)con1O;QZXMBCHLOGNFRG-UHFFFAOYSA-N;146.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185718;MM185718;C=C1OC(=NO)CC1C;QNTPKDSDKYWYJB-UHFFFAOYSA-N;127.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185719;MM185719;NN=c1oc(F)c(N)n1O;OJJMYBAQKANVRQ-UHFFFAOYSA-N;148.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185720;MM185720;CC1CC(=NO)OC1=O;MZZYIZIQHMUMCN-UHFFFAOYSA-N;129.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185721;MM185721;C=C1OC(=NO)CC1N;GSNQONBEDVUEKO-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185722;MM185722;CC=CC(O)C(CO)=NN;ZNVWEBCDGIHVLI-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185723;MM185723;C=C1OC(=NO)CC1O;OBLLLKNSFKSYFJ-UHFFFAOYSA-N;129.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185724;MM185724;NN=C1CC(O)C(=O)O1;FUZNVUMTUJEHCC-UHFFFAOYSA-N;130.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185725;MM185725;O=C1OC(=NO)CC1O;HHMKEBPLXSXYIZ-UHFFFAOYSA-N;131.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185726;MM185726;N=c1nc(CO)ncn1O;UDPVJPVJINGCOC-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185727;MM185727;C=C1CC(=NC)NC1C;RDEYWWNWDXZRBC-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185728;MM185728;C=C1CC(NN)=NC1C;YZKFSXKUIJISKF-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185729;MM185729;CN=C1CC(=O)C(C)N1;ZJZQAAUVUVGPIZ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185730;MM185730;C#Cc1cc(NN=C)n[nH]1;QPLGXPNWTUSSDC-UHFFFAOYSA-N;134.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185731;MM185731;C=C1NC(=NC)NC1C;LMGVTRPZGVPHTP-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185732;MM185732;C=C1NC(=NN)NC1C;WCWLVUOGSYRSHW-UHFFFAOYSA-N;126.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185733;MM185733;CN=C1NC(=N)C(C)N1;HNJIBIUBFAZNSD-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185734;MM185734;CC1NC(=NN)NC1=N;JQLQEDHCIFQCOE-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185735;MM185735;COC1=CC(C=NN)=CC1;SUGYFFYLSGMJJL-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185736;MM185736;CC1NC(=NN)NC1=O;QMYITWIXFDYSNT-UHFFFAOYSA-N;128.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185737;MM185737;CC1NC(=NO)NC1=O;PDFCLCDMDOOKBI-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185738;MM185738;COc1cc(=NN)n(O)o1;RVYYJJXVOVLJNT-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185739;MM185739;C=C1CC(=CC)OC1C;KETFTJXZXZHKPD-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185740;MM185740;CC=C1CC(=O)C(C)O1;BJLLWJDGWBOKDW-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185741;MM185741;NN=c1cc(CO)n(O)o1;WVHZAACTVFLHKR-UHFFFAOYSA-N;145.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185742;MM185742;CC=C1NC(=N)C(C)O1;CDHKQFJYOYIBPN-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185743;MM185743;CC=C1NC(=O)C(C)O1;QADVBDDEPILLNR-UHFFFAOYSA-N;127.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185744;MM185744;Cc1ncnc(=NN)n1O;IYTKNZAZEWMNHJ-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185745;MM185745;CN=C1NC(=O)C(C)O1;YKBYMSKDFJVCNO-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185746;MM185746;CC=C1CC(=N)N(C)C1;OYTORZFDKWNVAG-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185747;MM185747;CN1CC(=CF)CC1=N;BUFHSOAIUZEHPS-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185748;MM185748;CC=C1CC(=O)N(C)C1;IZVYPOMFPZADMY-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185749;MM185749;CN1CC(=CF)CC1=O;XUEIJNYGQNFLAW-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185750;MM185750;CC=C1CC(=N)N(N)C1;MRHMADFHXKIVCB-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185751;MM185751;N=C1CC(=CF)CN1N;XNIUGEFOBOZAOI-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185752;MM185752;CC=C1CC(=O)N(N)C1;DXMYJGDUJDQFNW-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185753;MM185753;NN=c1nnnc(N)n1N;PNJGXGQKADSSOU-UHFFFAOYSA-N;142.13;-3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185754;MM185754;CN1CC(=NN)CC1=N;XJNJXURQNZURPN-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185755;MM185755;CN1CC(=NO)CC1=N;OFYAYWOYUNQSCR-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185756;MM185756;Cc1c(NO)n[nH]c1C#N;DFZWCNWYZVSMAF-UHFFFAOYSA-N;138.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185757;MM185757;CN1CC(=NO)CC1=O;CPWMXUFJLGTRMU-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185758;MM185758;N=C1CC(=NN)CN1N;YMUIEVBINMHKOZ-UHFFFAOYSA-N;127.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185759;MM185759;N=C1CC(=NO)CN1N;OSNMTGMTAQQGIR-UHFFFAOYSA-N;128.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185760;MM185760;C=CC1C(C(F)C=O)N1C;CPQONEFMTAZMLP-UHFFFAOYSA-N;143.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185761;MM185761;NN1CC(=NO)CC1=O;MMBKWLUHNJPCMR-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185762;MM185762;CC=C1CN(C)C(=N)N1;VXEPGFHGBIGPRY-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185763;MM185763;CN1CC(=CF)NC1=N;WNNRMWBTWHTGQP-UHFFFAOYSA-N;129.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185764;MM185764;CC=C1CN(C)C(=O)N1;JCSIODATDYLMER-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185765;MM185765;CN1CC(=CF)NC1=O;QNASTOGRYJIUBU-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185766;MM185766;CC=C1CN(N)C(=N)N1;BMIRTVNNSKINMY-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185767;MM185767;COc1con(O)c1=NN;MJVMUVUJUYZJJU-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185768;MM185768;Nc1ccc(F)[nH]1;XQBYASZSUPHYBU-UHFFFAOYSA-N;100.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185769;MM185769;CC=C1CN(O)C(=N)N1;MPVZEOHSWLUTJI-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185770;MM185770;CC=C1CN(O)C(=O)N1;QBIJFJYQGVSVDT-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185771;MM185771;O=C1NC(=CF)CN1O;WJBCKGKSODJACQ-UHFFFAOYSA-N;132.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185772;MM185772;CN=C1CN(C)C(=N)N1;KUXZRVVZQFJWLW-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185773;MM185773;CN1CC(=NN)NC1=N;JNXSNPAZMNPRPX-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185774;MM185774;CN1CC(=NO)NC1=N;ZTCKQKNLVRWKFB-UHFFFAOYSA-N;128.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185775;MM185775;NN=c1ncn(O)o1;JGXBBQPNMIGUEY-UHFFFAOYSA-N;116.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185776;MM185776;CN1CC(=NN)NC1=O;JDCXFNWMLVBOJD-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185777;MM185777;CN1CC(=NO)NC1=O;CFSXGEATNQXWSA-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185778;MM185778;CN=C1CN(N)C(=N)N1;YEWWUFLDKJSZPB-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185779;MM185779;N=C1NC(=NN)CN1N;QDNVCRTVVCLMCK-UHFFFAOYSA-N;128.14;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185780;MM185780;N=C1NC(=NO)CN1N;ZTTFPLCSUCZGHQ-UHFFFAOYSA-N;129.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185781;MM185781;CN=C1CN(N)C(=O)N1;ONSDQYURPJIIGT-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185782;MM185782;NN=C1CN(N)C(=O)N1;YCUZFWAFMKAMBT-UHFFFAOYSA-N;129.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185783;MM185783;NN1CC(=NO)NC1=O;TVFGAXMVBCXCFX-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185784;MM185784;Cc1ccc(N)n1O;WNOGWBQPDFWRJM-UHFFFAOYSA-N;112.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185785;MM185785;Cc1c(F)on(O)c1=N;GZKNDNAYCJWLFV-UHFFFAOYSA-N;132.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185786;MM185786;CN1CC(=NO)OC1=O;GCDYTAWWQLENKE-UHFFFAOYSA-N;130.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185787;MM185787;N=c1ncn(O)oc1=O;CVSFSDPPOIKJRC-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185788;MM185788;CNN=c1ncn(O)o1;CVMVQBGAPFJFJD-UHFFFAOYSA-N;130.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185789;MM185789;NN1CC(=NO)OC1=O;NFICUJCUDRAWMJ-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185790;MM185790;CN=C1CC(=N)N(C)N1;BUHCWKGOFNGIAY-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185791;MM185791;CN1NC(=NN)CC1=N;MIEOCBNRLHDVMX-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185792;MM185792;CN1NC(=NO)CC1=N;AGHNLMILYOTCJT-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185793;MM185793;N=CN=c1ncn(O)o1;RLTADMBYDAUNLH-UHFFFAOYSA-N;128.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185794;MM185794;CN1N=C(NO)CC1=O;SRYDYKYCZOCCDK-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185795;MM185795;CCC=COC(C#N)=NO;RSMWHHQBICHQHX-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185796;MM185796;Cc1nc(=O)nc(O)n1C;JKXUTGTWABZLOB-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185797;MM185797;C=CCC#CC(F)C=NO;CTSZEUGUXXIULJ-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185798;MM185798;CNn1ncc(F)c1O;QQMAJVBZWQTSCF-UHFFFAOYSA-N;131.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185799;MM185799;OC=C1C=CC(=NO)C=C1;MBAHNQRPBZCCCX-UHFFFAOYSA-N;137.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185800;MM185800;Nc1n[nH]c(CO)c1O;VYOFFIHILCBNSM-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185801;MM185801;N=c1on(N)c(=O)n1O;NUSRLEPGQRRJOH-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185802;MM185802;N=c1cc(O)c(=O)n(O)o1;UYWXYEFHUIMXEW-UHFFFAOYSA-N;144.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185803;MM185803;NN=c1[nH]n(N)c(=O)o1;QMFQYBZVAWWFND-UHFFFAOYSA-N;131.1;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185804;MM185804;CNN=c1o[nH]c(=N)o1;VREBTBVDYIZCKQ-UHFFFAOYSA-N;130.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185805;MM185805;CN(C)N=c1o[nH]c(=N)o1;ZVAHFOKYWIFMKQ-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185806;MM185806;CCNN=c1o[nH]c(=N)o1;VPTFIJMVZBQMHH-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185807;MM185807;N=c1[nH]oc(=NNC=O)o1;DKSXEJOGPKIDGT-UHFFFAOYSA-N;144.09;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185808;MM185808;O=CN=c1ncn(O)o1;AEJFIRVAINHFKN-UHFFFAOYSA-N;129.08;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185809;MM185809;CN1OC(=NN)CC1=O;GRWLHUUXRQONRR-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185810;MM185810;N=c1[nH]oc(=NN2CC2)o1;YONUFORFRLQRRT-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185811;MM185811;CC1C(=O)C(C=O)C1C;BZQCMWWLUAKNTI-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185812;MM185812;Nc1cn(O)c(=O)c(=O)o1;CCHPZKMGEKPECD-UHFFFAOYSA-N;144.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185813;MM185813;O=Cc1cnc(=O)n(O)n1;FAMXQLGOZGTKCM-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185814;MM185814;O=Cc1cnn(O)c(=O)n1;CYVCGTKTZYBZKV-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185815;MM185815;O=c1c(=O)n(O)ccn1O;BDOAEIODVRJJOJ-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185816;MM185816;O=c1cnc(=O)n(O)n1O;VFRRKCCVJXSVTI-UHFFFAOYSA-N;145.07;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185817;MM185817;Nc1cnn(O)c(=O)n1;GKOKTGNMSPQLIY-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185818;MM185818;C#Cc1cnc(=O)n(O)n1;UZUKSIMQXIFDJY-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185819;MM185819;C=C1CC(=CC)CC1=C;TUZZAESIPDTNNJ-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185820;MM185820;C=C1CC(=CF)CC1=C;ZOXPRAWHBQIEMX-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185821;MM185821;C=C1CC(=CC)CC1=O;BZLRRJCFXUUISJ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185822;MM185822;C=C1CC(=CF)CC1=O;WCGKINOMTWQGCB-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185823;MM185823;CC=C1CC(=O)C(=O)C1;MOTRUIPNFKLGFU-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185824;MM185824;O=C1CC(=CF)CC1=O;SYRLIMMGMBMQHX-UHFFFAOYSA-N;128.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185825;MM185825;C=C1CC(=NN)CC1=C;HUCGANOHIGAEGM-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185826;MM185826;C=C1CC(=NO)CC1=C;SVUZLNKUFNSNJG-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185827;MM185827;C=C1CC(=NO)CC1=O;HRNJPHRBYDEINX-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185828;MM185828;C=C1CC(=CC)NC1=N;BVJBOXPBPXOFLI-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185829;MM185829;C=C1CC(=CF)NC1=N;GWCKFQIGBSBUTI-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185830;MM185830;C=C1CC(=CC)NC1=O;VZCWVBHIKMHXSI-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185831;MM185831;C=C1CC(=CF)NC1=O;XQBZCAVTRNVMBK-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185832;MM185832;C=NN=c1ncn(O)o1;YIRFRBMNBCSFOC-UHFFFAOYSA-N;128.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185833;MM185833;CCNc1nc(N)n[nH]1;INXLBBMSXGKPRE-UHFFFAOYSA-N;127.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185834;MM185834;CC=C1CC(=O)C(=O)N1;VUMHSIPMCQJRIP-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185835;MM185835;O=C1CC(=CF)NC1=O;XDMJMUXWVWARQM-UHFFFAOYSA-N;129.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185836;MM185836;C=C1CC(=NC)NC1=C;IWINCBLQJQNHHA-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185837;MM185837;C=C1CC(NN)=NC1=C;FNHYTFBAQGKEBJ-UHFFFAOYSA-N;123.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185838;MM185838;C=NOC(=O)NC1CC1;HRNFCUDYCXPOMA-UHFFFAOYSA-N;128.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185839;MM185839;C=C1CC(=NC)NC1=N;GANUUUXDNJMBEF-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185840;MM185840;C=C1CC(=NN)NC1=N;CZGMOFOAEWLIEO-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185841;MM185841;CN=c1cc(F)on1O;ARRRQXHDCMVQJQ-UHFFFAOYSA-N;132.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185842;MM185842;C=C1CC(=NN)NC1=O;RQXQBTKTCZYCFM-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185843;MM185843;C=C1CC(=NO)NC1=O;RHTVATDGPIEQMO-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185844;MM185844;C=C1NC(=NO)CC1=O;FXFDLDNDLVJXND-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185845;MM185845;N=c1c(=O)ccon1O;JFIRBPSIFAXQSE-UHFFFAOYSA-N;128.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185846;MM185846;NC1=NC(=NO)CC1=O;SDTXKRMHLSNDJW-UHFFFAOYSA-N;127.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185847;MM185847;O=C1CC(=NO)NC1=O;VDNMNSCJPRLTDG-UHFFFAOYSA-N;128.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185848;MM185848;C=C1CC(=CC)OC1=C;ZPFCHNMVMNIIJX-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185849;MM185849;C=C1CC(=CF)OC1=C;GSVUYHWVXAIYOU-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185850;MM185850;C=C1CC(=CC)OC1=O;YIJABANALRTPLA-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185851;MM185851;C=C1CC(=CF)OC1=O;XYTVFGDKMFSTCB-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185852;MM185852;N#Cc1cn(O)c(=O)[nH]1;YSFBHCOYRKARAK-UHFFFAOYSA-N;125.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185853;MM185853;CC=C1CC(=O)C(=O)O1;GUVBHPVANODCND-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185854;MM185854;CC(C(O)CF)N1CC1;ZDMGPQDRTSLSFJ-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185855;MM185855;C=C1CC(=NO)OC1=C;NIDKISYCGGRABB-UHFFFAOYSA-N;125.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185856;MM185856;NN=CC(O)C=C(F)CO;XYPJODWEUAFLPI-UHFFFAOYSA-N;148.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185857;MM185857;C=C1CC(=NO)OC1=O;QZOVCUPAMQMZJC-UHFFFAOYSA-N;127.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185858;MM185858;CC=C1NC(=N)C(=N)N1;RMOSRUHYVRPQAU-UHFFFAOYSA-N;124.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185859;MM185859;CC(=CC(C)C)C(=O)NN;DLFAEPURETYTDO-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185860;MM185860;CC=C1NC(=O)C(=O)N1;BVBIUIFXOWTSDB-UHFFFAOYSA-N;126.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185861;MM185861;C=c1[nH]c(=NC)[nH]c1=C;QBEMTMHWUBAQLM-UHFFFAOYSA-N;123.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185862;MM185862;C=c1[nH]c(=NN)[nH]c1=C;KRRRYPWRZPIWRS-UHFFFAOYSA-N;124.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185863;MM185863;C=C1NC(=NC)NC1=N;QDRZBMFEBIMMLJ-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185864;MM185864;C=C1NC(=NN)NC1=N;VCTIAOCHCPNWJB-UHFFFAOYSA-N;125.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185865;MM185865;C=C1NC(=NO)NC1=N;XTXJBABAUODTCZ-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185866;MM185866;C=C1NC(=NC)NC1=O;MFPWYZCLQKYCST-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185867;MM185867;C=C1NC(=NN)NC1=O;TYMVYWUUCUMGFF-UHFFFAOYSA-N;126.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185868;MM185868;C=C1NC(=NO)NC1=O;YEJKVZHZQASBIZ-UHFFFAOYSA-N;127.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185869;MM185869;CN=C1NC(=N)C(=N)N1;YQHKMXQAEMTMOK-UHFFFAOYSA-N;125.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185870;MM185870;CN=C1NC(=N)C(=O)N1;NXVFFZWNEDZQQX-UHFFFAOYSA-N;126.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185871;MM185871;N=C1NC(=NN)NC1=O;NGPACRVFPZWRLO-UHFFFAOYSA-N;127.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185872;MM185872;CN=C1NC(=O)C(=O)N1;RYNDRPIGKFQDLD-UHFFFAOYSA-N;127.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185873;MM185873;NN=C1NC(=O)C(=O)N1;ZJIAWRYVMDVVLM-UHFFFAOYSA-N;128.09;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185874;MM185874;C=c1oc(=CC)[nH]c1=N;PFYPIQDFQDVEBB-UHFFFAOYSA-N;124.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185875;MM185875;C#CC(C)(O)CC1CN1C;UCUGBMVEZVQHGG-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185876;MM185876;C=c1oc(=CC)[nH]c1=O;QKRSZMPKTQSGHM-UHFFFAOYSA-N;125.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185877;MM185877;C=c1oc(=CF)[nH]c1=O;SVTQGCOFCFCANE-UHFFFAOYSA-N;129.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185878;MM185878;CC=C1NC(=O)C(=O)O1;ZPXYSXHUCLQHDV-UHFFFAOYSA-N;127.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185879;MM185879;Cc1cc(=O)c(=N)n(O)o1;QDAVPZGTZSIHGG-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185880;MM185880;N#CC1(CC(O)C=O)CN1;FAUZBZZYEPHAQJ-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185881;MM185881;N#CC1(CC(F)C=O)CN1;URGHHSJMRAHDGL-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185882;MM185882;C#CC1(CC(O)C=O)CN1;WBPYLQRBAPKOFJ-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185883;MM185883;CN=C1NC(=O)C(=O)O1;JHCGKPGLPQOTNR-UHFFFAOYSA-N;128.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185884;MM185884;NN=C1NC(=O)C(=O)O1;CMVWZGQAOFQLIX-UHFFFAOYSA-N;129.08;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185885;MM185885;CCC1C=C(C)C(C)C1;FVDKPLOUMNUQCT-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185886;MM185886;CC1=CC(CN)CC1C;BZNMEXQDYPBZPO-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185887;MM185887;C#CC(=O)N(N)C(=O)CO;HPXCAGZUHSANPH-UHFFFAOYSA-N;142.11;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185888;MM185888;CC1=CC(CF)CC1C;QORYWKADVCCEQA-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185889;MM185889;CCC1C=C(F)C(C)C1;DFDNSXDNXPYJOD-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185890;MM185890;CC1CC(CN)C=C1F;IXADPHUOJVBTFM-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185891;MM185891;CC1CC(CO)C=C1F;GMXINRNZDVMEDM-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185892;MM185892;CCC1C=C(C)C(N)C1;XWVGGAZBJPPODS-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185893;MM185893;CC1=CC(CN)CC1N;JQFZNJVVELYCNO-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185894;MM185894;CC1=CC(CO)CC1N;JKEGDAGRSVOKDG-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185895;MM185895;CCC1C=C(F)C(N)C1;LHUWADPTHVWCNY-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185896;MM185896;NCC1C=C(F)C(N)C1;XVRNMEPMXBDYRC-UHFFFAOYSA-N;130.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185897;MM185897;C=C(C(=O)NN)C(C)CC;IRMOWRIADVLCOG-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185898;MM185898;CC1=CC(CN)CC1O;CNWXZOLCWHMPFS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185899;MM185899;CC1=CC(CO)CC1O;DAGQRZQTJFWQDM-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185900;MM185900;CCC1C=C(F)C(O)C1;CHMMWIQBGAZNGK-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185901;MM185901;NCC1C=C(F)C(O)C1;GVNNMIXFQMNHMU-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185902;MM185902;CCC1C=C(C)C(F)C1;LDYPBYLCWRZBDW-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185903;MM185903;CNC1C=C(C)C(C)C1;NWMLVOUWSRLZCW-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185904;MM185904;CNC1C=C(F)C(C)C1;DPSCCBJGKBWGGA-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185905;MM185905;CNC1C=C(C)C(N)C1;OSMXAQBQQHNAJS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185906;MM185906;CNC1C=C(F)C(N)C1;MGPUSZZJPZAAHL-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185907;MM185907;CNC1C=C(F)C(O)C1;AMBBIPZWSSBOEF-UHFFFAOYSA-N;131.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185908;MM185908;CNC1C=C(C)C(F)C1;ZXNHSOJRHFKVLE-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185909;MM185909;COC1C=C(C)C(C)C1;APSDTBLTCYSUGY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185910;MM185910;COC1C=C(F)C(C)C1;BUQSMOLALNWZGW-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185911;MM185911;COC1C=C(C)C(N)C1;KEFVSCVNIMAKCB-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185912;MM185912;COC1C=C(F)C(O)C1;YKSXHANYJBAFAM-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185913;MM185913;CCC1C=C(C)C(C)N1;ALMITCXIXVGNQY-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185914;MM185914;CC1=CC(CN)NC1C;URXICUOKJUCKTJ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185915;MM185915;CC1=CC(CO)NC1C;MCTPQTPAYHUHBM-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185916;MM185916;CCC1C=C(F)C(C)N1;NWZLZGYYKBKPTG-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185917;MM185917;CC1NC(CN)C=C1F;ZSBIRXSVIUETKF-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185918;MM185918;CCC1C=C(C)C(C)O1;XNWIYWIRSGWIHU-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185919;MM185919;CCC1CN(C)C(C)=N1;HBMAKCPZIGNGGV-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185920;MM185920;CC1=NC(CN)CN1C;QOHRXJIAEBTUNH-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185921;MM185921;CCC1CN(N)C(C)=N1;OBAGJRRTMRZWFP-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185922;MM185922;CCN1CC(C)C(C)=N1;UWYCNTSYQUCEMF-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185923;MM185923;CC=C(CCC)C(=O)NN;XSAFPXLSURHJMX-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185924;MM185924;CCN1CC(F)C(C)=N1;PEOXUUAQDDFLEW-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185925;MM185925;C=CC1C=C(C)C(C)C1;NJWCVWVBOPDNHF-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185926;MM185926;CC1=CC(C=O)CC1C;OJYIXTDJHORELK-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185927;MM185927;CC1=CC(C#N)CC1C;IGDOYUZAVHOUQQ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185928;MM185928;C=CC1C=C(F)C(C)C1;FDIPLSZCAGQSMK-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185929;MM185929;CC1CC(C=O)C=C1F;NORQKFQZRKLVLM-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185930;MM185930;CC1CC(C#N)C=C1F;ORXCGQHJIRJBFZ-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185931;MM185931;C=CC1C=C(C)C(N)C1;OTBPEXPCOXIORJ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185932;MM185932;C=CC1C=C(F)C(N)C1;BNNFRZZBQUIXGB-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185933;MM185933;CCC=C(CC)C(=O)NN;KYUVFQKOEJXUIB-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185934;MM185934;CC1=CC(C=O)CC1O;FFIRRQWXGQDKSL-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185935;MM185935;CC1=CC(C#N)CC1O;LSFZNTGEDMDZNC-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185936;MM185936;N#CC1C=C(F)C(O)C1;CKCSBLMZYHALPA-UHFFFAOYSA-N;127.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185937;MM185937;C=CC1C=C(C)C(F)C1;KMYBQWQVODVBDR-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185938;MM185938;C=CC1C=C(C)C(C)N1;JPJQEJHWNCYZET-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185939;MM185939;CC1=CC(C=O)NC1C;ZWDVGUGBZUYCIL-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185940;MM185940;CC1=CC(C#N)NC1C;XTDPGKWBSDAWND-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185941;MM185941;CC1NC(C#N)C=C1F;DAJMLQNJFHUDNN-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185942;MM185942;C=CC1C=C(C)C(C)O1;IXYTZQCOIGOJBW-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185943;MM185943;CC1=CC(C#N)OC1C;CSWWNPPKQGVAHV-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185944;MM185944;C=CC1C=C(F)C(C)O1;DDEURJYAKORCTP-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185945;MM185945;C=CC1CN(C)C(C)=N1;VHECJRXLXCQVTI-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185946;MM185946;CC1=NC(C=O)CN1C;YHBAHXZDHSMWSI-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185947;MM185947;Cc1con(O)c(=N)c1=O;USAOAEFPMNEKAH-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185948;MM185948;N=c1c(=O)c(N)con1O;HGXOMEJSEURLJV-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185949;MM185949;CC1=CN(C=N)CC1C;MJEKBMIANRVCHU-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185950;MM185950;CC1=CN(C=O)CC1C;WHAFPDDAVBIFCS-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185951;MM185951;CC1CN(C=N)C=C1F;PMSKAZGEORMZHQ-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185952;MM185952;CC1CN(C=O)C=C1F;JTTDCZMCXPXFGC-UHFFFAOYSA-N;129.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185953;MM185953;CC1=CN(C=N)CC1N;XONQBEBHJXJODC-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185954;MM185954;CC1=CN(C=O)CC1N;UGTMYTSQYBCTDO-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185955;MM185955;N=CN1C=C(F)C(N)C1;UMHRNRVZTQCORD-UHFFFAOYSA-N;129.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185956;MM185956;CC1=CN(C=N)CC1O;KHYVPBIUVIFHDQ-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185957;MM185957;CC1=CN(C=O)CC1O;MMLFHRCJYYDUSG-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185958;MM185958;O=CN1C=C(F)C(O)C1;BILGFORDSGGUBQ-UHFFFAOYSA-N;131.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185959;MM185959;CC1=CN(C=N)CC1F;YUJBBULUOPXIHX-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185960;MM185960;CC1=CN(C=O)CC1F;XEQFHSOJPHGANE-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185961;MM185961;CC1=NN(C=N)CC1C;SKDOYFYULRUXRC-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185962;MM185962;CC1=NN(C=O)CC1C;PLTQXZPXINWKAX-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185963;MM185963;Cn1oc(=NN)c(=N)n1O;ZUDKNAZLDQNSQM-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185964;MM185964;CC1=NN(C=O)CC1O;RACZIKWQWNAPQF-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185965;MM185965;CC1=NN(C=N)CC1F;YFTZIXXHZIEXOA-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185966;MM185966;CC1=NN(C=O)CC1F;VCTWPRHZRYEBIE-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185967;MM185967;CC1=CN(C=N)NC1C;VTTFKACOILEQCN-UHFFFAOYSA-N;125.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185968;MM185968;CC1=CN(C=O)NC1C;FGDXPHMYKIZJQW-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185969;MM185969;CC1NN(C=O)C=C1F;VRJOPHBKQMZROI-UHFFFAOYSA-N;130.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185970;MM185970;CC1ON(C=N)C=C1F;YLOORTAUOAGRCB-UHFFFAOYSA-N;130.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185971;MM185971;CC1ON(C=O)C=C1F;XLDWHXDRDHIWHY-UHFFFAOYSA-N;131.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185972;MM185972;C#CC1C=C(C)C(C)C1;KYWMLKCSPLWVOI-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185973;MM185973;C#CC1C=C(F)C(C)C1;QUKTYVWALXDRFB-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185974;MM185974;C#CC1C=C(C)C(N)C1;UUJHLBUBWQRPED-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185975;MM185975;Cc1c(F)c(=NN)on1O;CDGDMSFKSCQECY-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185976;MM185976;C#CC1C=C(F)C(O)C1;TXVULOURBLHFBX-UHFFFAOYSA-N;126.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185977;MM185977;C#CC1C=C(C)C(C)N1;FYKZOUKMNIWTQC-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185978;MM185978;C#CC1C=C(C)C(C)O1;LCFLMXGXLXXGLA-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185979;MM185979;C#CC1C=C(F)C(C)O1;YDFSTAOMMUMEAF-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185980;MM185980;C#CC1CN(C)C(C)=N1;OKSDZXIOUSWDRG-UHFFFAOYSA-N;122.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185981;MM185981;CC1C2OC(=NN)CC12O;VTSPJGWRCCQHHO-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185982;MM185982;C=C1CC(CC)C=C1C;IOWVZLFVFHWLLS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185983;MM185983;C=C1CC(CN)C=C1C;OBGMPMLOSQONBG-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185984;MM185984;C=Cc1nc(C=CC)c[nH]1;HZSCXHVUMXCAST-UHFFFAOYSA-N;134.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185985;MM185985;C=C1CC(CC)C=C1F;ZJWOIWRGPNDRIK-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185986;MM185986;C=C1CC(CN)C=C1F;RMIBWGZWUFJQST-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185987;MM185987;C=C1CC(CO)C=C1F;YOUNVJWUCWCFGC-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185988;MM185988;CCC1C=C(C)C(=O)C1;GAQJXOKKXXCVSW-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185989;MM185989;CCC1C=C(F)C(=O)C1;VATYYVWYVUDSDB-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185990;MM185990;C=C1CC(NC)C=C1C;LNEYUJKTZRIFNE-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185991;MM185991;C=C1CC(NC)C=C1F;RVYXCRVTDGHIBB-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185992;MM185992;CNC1C=C(C)C(=O)C1;SJCZPOPZQHSRBG-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185993;MM185993;CNC1C=C(F)C(=O)C1;XXQKTXAGHDYDFS-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185994;MM185994;C=C1CC(OC)C=C1C;HYGXKNWQGJGZCC-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185995;MM185995;C=C1CC(OC)C=C1F;WNGQPDYQNBZWQX-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185996;MM185996;COC1C=C(C)C(=O)C1;JRVNHNSCUUNPJJ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185997;MM185997;CCC1C=C(C)C(=N)N1;ZQZQCAWDRZTJIU-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185998;MM185998;CC1=CC(CN)NC1=N;NQPXZVWGAVCPKF-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM185999;MM185999;CCC1C=C(C)C(=O)N1;ONOSLSXKPMNVNP-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186000;MM186000;CC1=CC(CN)NC1=O;IBGFGDWKHJOXGE-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186001;MM186001;C=C1OC(CC)C=C1C;QMTQAHOUFFYXEP-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186002;MM186002;CCC1C=C(C)C(=O)O1;UVERQUDHQJYTIT-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186003;MM186003;CCC1C=C(F)C(=O)O1;QELCJRVZKNBQAU-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186004;MM186004;CCn1cc(C)c(O)c1;IWNHQRVKELPIRE-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186005;MM186005;C=C1CN(CC)N=C1C;BBGSUMWQZFCFKE-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186006;MM186006;CC(=O)NNC(=O)NC=O;HUAJBQVBCKUFKI-UHFFFAOYSA-N;145.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186007;MM186007;CCn1cc(C)c(N)n1;SMAFTMQUUMTYLA-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186008;MM186008;COC1=CCC(C=NN)=C1;KTXMQRHTUUVBOP-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186009;MM186009;CN=c1c(C)c(F)on1O;ODGYDLVBSXXJQC-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186010;MM186010;O=c1c(F)con(O)c1=O;GTKXWVPRDLFODK-UHFFFAOYSA-N;147.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186011;MM186011;Cc1c(F)c(O)c(F)n1O;YHFJKUIPEGREKI-UHFFFAOYSA-N;149.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186012;MM186012;Nc1[nH]n(O)c(=O)c1O;HKFYLXUAAKXRMZ-UHFFFAOYSA-N;131.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186013;MM186013;CN=c1c(F)c(C)on1O;QTQFCHYNGFVRCD-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186014;MM186014;N=c1ncn(O)o1;LZMLROLUJMUTGO-UHFFFAOYSA-N;101.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186015;MM186015;Cc1c(O)n(O)oc1=O;OZKIYWBMBXWQSR-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186016;MM186016;N=c1cc(F)on1O;YDVBLIFXJWVQEN-UHFFFAOYSA-N;118.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186017;MM186017;CN(C)C(=O)C(C#N)=NO;FSKSSTQAPZUBLG-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186018;MM186018;N=Cn1nnn(O)c1=O;NKZVSQCIEZTTIH-UHFFFAOYSA-N;129.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186019;MM186019;O=c1c(NO)non1O;UWURESYMCBZETE-UHFFFAOYSA-N;133.06;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186020;MM186020;COc1nn(N)c(=O)n1O;ANHJMLSIBJIORV-UHFFFAOYSA-N;146.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186021;MM186021;C=NN(C)C(=O)CO;WSCYKTKSHDXNNU-UHFFFAOYSA-N;116.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186022;MM186022;CN=c1ncn(O)o1;FODFPHLERDLMFW-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186023;MM186023;Nc1cnc(=O)n(O)n1;IIKGXLNEZXIKDY-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186024;MM186024;CNc1cnc(=O)n(O)n1;HJFKBRUYLMAKIH-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186025;MM186025;Cc1on(O)c2ncnc1-2;AGZIDLUOHDIJLS-UHFFFAOYSA-N;139.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186026;MM186026;Cc1c(O)cnn1O;YBESOHNQSBMTEI-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186027;MM186027;CNc1nc(N)n[nH]1;IDPVERHXDUGTRN-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186028;MM186028;CCn1nc(N)c(F)n1;SKAZJBNDIJDEPV-UHFFFAOYSA-N;130.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186029;MM186029;CC(F)C(C=CF)=NO;KQKOPAGEJGTBRH-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186030;MM186030;CNN=c1nc(O)n(C)o1;OMFAOPHQOGHQOA-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186031;MM186031;CCn1nc(C)c(=O)o1;LYRMYBIAKPTBJG-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186032;MM186032;CCn1nc(F)c(=O)o1;NAFMVBSBGJXFEB-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186033;MM186033;C=CC1C=C(C)C(=C)C1;YTNZVDNNFQJPMB-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186034;MM186034;C=C1CC(C=O)C=C1C;QXJWRZODKUKWPE-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186035;MM186035;C=C1CC(C#N)C=C1C;PCGUCNMFLWUJNH-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186036;MM186036;C=CC1C=C(F)C(=C)C1;HVYNBTNFNNWDOL-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186037;MM186037;C=C1CC(C=O)C=C1F;PZVRKFYSWOBLLD-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186038;MM186038;C=C1CC(C#N)C=C1F;LFPRTMPQZWFIQW-UHFFFAOYSA-N;123.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186039;MM186039;C=CC1C=C(C)C(=O)C1;PQFOGJIILKOYKB-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186040;MM186040;CC1=CC(C=O)CC1=O;FWSJIVUHCZPXMJ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186041;MM186041;CC1=CC(C#N)CC1=O;RJTMWMAOWAROOJ-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186042;MM186042;C=CC1C=C(F)C(=O)C1;KIWPNUBKYXKRNN-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186043;MM186043;O=CC1C=C(F)C(=O)C1;OUJZNQDAXGCIBT-UHFFFAOYSA-N;128.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186044;MM186044;N#CC1C=C(F)C(=O)C1;VWODWPNLUCUPNW-UHFFFAOYSA-N;125.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186045;MM186045;C=CC1C=C(C)C(=N)N1;WECFENNDGCSDNT-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186046;MM186046;CC1=CC(C=O)N=C1N;XOJUCKQXWULFTN-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186047;MM186047;N=C1NC(C=O)C=C1F;UJLAIRSKZQNJGA-UHFFFAOYSA-N;128.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186048;MM186048;C=CC1C=C(C)C(=O)N1;BQXJFAMOSPQNCW-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186049;MM186049;CC1=CC(C=O)NC1=O;HLUBOWSPEVVCTG-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186050;MM186050;C=CC1C=C(F)C(=O)N1;WEPOOFAYPPCALY-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186051;MM186051;C=CC1C=C(C)C(=C)O1;CHFCGBWQDCHGOO-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186052;MM186052;C=C1OC(C=O)C=C1C;HBZGKHLCQYYYSP-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186053;MM186053;C=C1OC(C#N)C=C1C;JDOLNXHFDQYANE-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186054;MM186054;C=CC1C=C(F)C(=C)O1;DYHIIYXWPLPUFC-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186055;MM186055;C=C1OC(C=O)C=C1F;PIBZKCCUEYKAHH-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186056;MM186056;C=CC1C=C(C)C(=O)O1;HEAACXNMGJLYQS-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186057;MM186057;N=c1nc(ONC=O)o[nH]1;WPULZKRDRMRJOO-UHFFFAOYSA-N;144.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186058;MM186058;C=CC1C=C(F)C(=O)O1;HDSBWINWMHXGEF-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186059;MM186059;C=C1CN(C=N)C=C1C;PPQNNWMFCCTQTD-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186060;MM186060;C=C1CN(C=O)C=C1C;SRALBOOAGFUGON-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186061;MM186061;C=C1CN(C=N)C=C1F;PBZYREQQWLWLOJ-UHFFFAOYSA-N;126.13;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186062;MM186062;C=C1CN(C=O)C=C1F;YRVPLZCLKZPLLJ-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186063;MM186063;N#CC1=CNC(=O)C1=O;XTEMDGWBIPCZKP-UHFFFAOYSA-N;122.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186064;MM186064;C=C1CN(C=N)N=C1C;SZOUFGWUQAFVFH-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186065;MM186065;C=C1CN(C=O)N=C1C;XQWXPJXODBURAZ-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186066;MM186066;O=CC(F)C(=O)C(F)F;GTBWMBSPXMVPLO-UHFFFAOYSA-N;140.06;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186067;MM186067;C=Cn1cc(C)c(N)n1;RRZKPMGFJOOWSQ-UHFFFAOYSA-N;123.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186068;MM186068;CC1C(O)C=NN1C;ADDMGAVJDGDPCX-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186069;MM186069;N=C1C=NC(=N)N1O;HOGAXHXRQRUIKI-UHFFFAOYSA-N;112.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186070;MM186070;N=Cn1cc(N)c(N)n1;AMHDRGPIIZRGPF-UHFFFAOYSA-N;125.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186071;MM186071;N=c1c(F)con1O;STOQMBDASIJYCF-UHFFFAOYSA-N;118.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186072;MM186072;N#Cc1cn(O)c(=O)o1;AYUVTPQHRYDCOP-UHFFFAOYSA-N;126.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186073;MM186073;CN(N=CN)C(=O)CO;NTHSLIOJGGKXIX-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186074;MM186074;C=NNC1CC1(O)CO;CIJKHEIMXBFNNC-UHFFFAOYSA-N;130.15;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186075;MM186075;Nc1nn(C=O)cc1F;ZINVIONMSSWCBB-UHFFFAOYSA-N;129.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186076;MM186076;N#Cc1cnc(=O)n(O)n1;KGDPOPXCNKXYQV-UHFFFAOYSA-N;138.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186077;MM186077;C#Cc1cnn(O)c(=O)n1;RXSHRQJFCGETGA-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186078;MM186078;CNc1cnn(O)c(=O)n1;GWNKFESKLJEFSK-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186079;MM186079;Cc1nn(O)c(=O)nc1N;WLWDTNFDDJYJGV-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186080;MM186080;NN=c1[nH]c(=O)nco1;DQMVANDGPWAPLT-UHFFFAOYSA-N;128.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186081;MM186081;O=c1c(F)c(F)on1O;DENGXTYIBXWMKY-UHFFFAOYSA-N;137.04;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186082;MM186082;CC=C1C=CC(C#N)C1=O;SOUJOQCWKFUNMD-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186083;MM186083;COn1nc(C)n(O)c1=O;JSCPVXLBTYCEMY-UHFFFAOYSA-N;145.12;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186084;MM186084;O=c1c(O)con(O)c1=O;XFVNBNYLXIYHGH-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186085;MM186085;Nc1nc(=O)c(=O)n(O)[nH]1;JUWFZAMRHIUNJJ-UHFFFAOYSA-N;144.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186086;MM186086;CC1=NC(=N)N(O)C1=N;AYRUHHVNFVOCOX-UHFFFAOYSA-N;126.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186087;MM186087;N=c1c(N)c(N)on1O;UDOGXDZZWBBHHT-UHFFFAOYSA-N;130.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186088;MM186088;Cc1nn(C=O)nc1N;WOHWUKIFWJIYIF-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186089;MM186089;C=Cn1nc(N)c(F)n1;ZDQUYKRTCMECEJ-UHFFFAOYSA-N;128.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186090;MM186090;Cc1on(O)c(=N)c1F;FNMWSAWWHFGLPS-UHFFFAOYSA-N;132.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186091;MM186091;Nc1nn(C=O)nc1F;JGRQUBXSLZSVSH-UHFFFAOYSA-N;130.08;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186092;MM186092;O=CC(=O)C(O)C=O;JWBVDBDNUQOADG-UHFFFAOYSA-N;116.07;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186093;MM186093;COC(=NO)C(=O)C(F)F;WKADKAZPHKIGIB-UHFFFAOYSA-N;153.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186094;MM186094;N#CC#Cc1nc(O)no1;OFSGYYSQLWFUGD-UHFFFAOYSA-N;135.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186095;MM186095;Oc1cc(F)co1;IBZYHAGVBFEUBG-UHFFFAOYSA-N;102.06;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186096;MM186096;CC=C(C)OC(C#N)=NO;YEAGLKCGOYOHEW-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186097;MM186097;O=c1ncc(NO)nn1O;QIKYGNHRJVNJCR-UHFFFAOYSA-N;144.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186098;MM186098;C=Cn1nc(C)c(=O)o1;FILZQFLCMCQCMM-UHFFFAOYSA-N;126.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186099;MM186099;Cc1nn(C=N)oc1=O;RWOKBRXUMSIMKW-UHFFFAOYSA-N;127.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186100;MM186100;Cc1nn(C=O)oc1=O;SEWSQKLKGSFRTA-UHFFFAOYSA-N;128.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186101;MM186101;C=Cn1nc(F)c(=O)o1;RZTGXQJJYAJVPT-UHFFFAOYSA-N;130.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186102;MM186102;N=Cn1nc(F)c(=O)o1;NVUNYDNNJIIDPN-UHFFFAOYSA-N;131.07;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186103;MM186103;O=Cn1nc(F)c(=O)o1;BSSANRUGYRJWGJ-UHFFFAOYSA-N;132.05;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186104;MM186104;C#CC1C=C(C)C(=C)C1;IHVMHVRXNIZROD-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186105;MM186105;C#CC1C=C(F)C(=C)C1;KWBORYXTBKIQCS-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186106;MM186106;C#CC1C=C(C)C(=O)C1;WAPINGKABHCCLX-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186107;MM186107;C#CC1C=C(F)C(=O)C1;ISKORYIVDMSXRH-UHFFFAOYSA-N;124.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186108;MM186108;C#CC1C=C(C)C(=N)N1;PFNQYTBHLGPERM-UHFFFAOYSA-N;120.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186109;MM186109;CCN=c1ncn(O)o1;WUQKDGJOHOYKCE-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186110;MM186110;C#CC1C=C(C)C(=O)N1;VXXOYQXCXUIADV-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186111;MM186111;C#CC1C=C(F)C(=O)N1;CTQOYEJAPNDGTK-UHFFFAOYSA-N;125.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186112;MM186112;C#CC1C=C(C)C(=C)O1;YMOTYRNZECTZKL-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186113;MM186113;C#CC1C=C(F)C(=C)O1;KUWHZBRKIGPTMG-UHFFFAOYSA-N;124.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186114;MM186114;C#CC1C=C(C)C(=O)O1;YMKAHLBIYJUKJV-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186115;MM186115;C#CC1C=C(F)C(=O)O1;KGKMMKAJAGYICI-UHFFFAOYSA-N;126.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186116;MM186116;CC=C1C=C(C)C(C)C1;IVRBFEJDIIPEMP-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186117;MM186117;CC1=CC(=CF)CC1C;NGDVYFRLZUZBFV-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186118;MM186118;CC=C1C=C(F)C(C)C1;IKQFZVUKCZWFBD-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186119;MM186119;CC1CC(=CF)C=C1F;YFQLMOMMYVMSNK-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186120;MM186120;CC=C1C=C(C)C(N)C1;DQRFVJUYEYUNMK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186121;MM186121;CC1=CC(=CF)CC1N;CRWIZBJQOGHFHN-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186122;MM186122;NN=c1cc(N)on1O;OZTAAKOBJJKMMJ-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186123;MM186123;CC1=CC(=CF)CC1O;PHDBVAWMRBXFOT-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186124;MM186124;CC=C1C=C(F)C(O)C1;KMZOCPBDBUBVQT-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186125;MM186125;OC1CC(=CF)C=C1F;OCTGSSULLYWZJB-UHFFFAOYSA-N;132.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186126;MM186126;CC=C1C=C(C)C(F)C1;HIXRDYRJIWMKKF-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186127;MM186127;CC1=CC(=CF)CC1F;NPBPHPPIVNDMAD-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186128;MM186128;OC1CC1(O)CN1CC1;UMNOWQAGZKNCAG-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186129;MM186129;CCN1N=CC(O)C1C;AXPBYRGUAKGBSS-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186130;MM186130;CN1CC1CC#CCO;BANXRRWFOMWUPK-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186131;MM186131;C=NN(CC)C(=O)CO;DVJVINQQYMVIJR-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186132;MM186132;CC1CC(=NO)C=C1F;YOFLAQCGNOVDAE-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186133;MM186133;CC1=CC(=NO)CC1N;LVTQDPIAABMKJJ-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186134;MM186134;NC1=CC(=NO)CC1N;JGHNRGVHZIKCGJ-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186135;MM186135;CNN(C=O)C(=O)CO;RJWJIXRQQREVMQ-UHFFFAOYSA-N;132.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186136;MM186136;CC1=CC(=NO)CC1O;XCIJDXDPONENTG-UHFFFAOYSA-N;127.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186137;MM186137;NN=C1C=C(CO)CO1;XORIEJDSLOALRD-UHFFFAOYSA-N;128.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186138;MM186138;NN=c1c(N)con1O;DTMNZILOCJJQGJ-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186139;MM186139;ON=C1C=C(F)C(O)C1;BJJGCSGXJYQYEC-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186140;MM186140;CN=c1c(F)con1O;WWCQRJFKYMMMDG-UHFFFAOYSA-N;132.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186141;MM186141;CC1=CC(=NO)CC1F;UYTJOCQALBCAQK-UHFFFAOYSA-N;129.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186142;MM186142;CCC(C)(C)CNNC=O;VLQOQAGHRJZELV-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186143;MM186143;CN=C1C=C(C)C(C)N1;ONTABKJYKQPRGE-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186144;MM186144;CC1=CC(NN)=NC1C;PKMUGRAGFGQQPT-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186145;MM186145;CN=C1C=C(N)C(C)N1;WOXCVGCRAZJPBK-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186146;MM186146;NC=C(F)C=NOC(N)=O;HNIJLNNAOQUGJL-UHFFFAOYSA-N;147.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186147;MM186147;C=NOC(C)CC(O)C=O;AASFCSDQECJGLM-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186148;MM186148;CC=C1C=C(C)C(C)O1;YSAGXLTWVOCDMX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186149;MM186149;CC=C1C=C(F)C(C)O1;DSFDIVQZXIJPJT-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186150;MM186150;C=C(CC(C)C)C(=O)NN;JFDWGTPJIBEIMP-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186151;MM186151;CC1=CC(=NO)OC1C;GLTPGVXSBSOHEI-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186152;MM186152;CN(N)C(CF)=NC(N)=O;NEXCVMYGMCWYHU-UHFFFAOYSA-N;148.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186153;MM186153;C=NOC(C)CC#CCO;QRCIIMJPIHZDTJ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186154;MM186154;N#CCNCC1(O)CC1O;FUJGSGSZXHLSQG-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186155;MM186155;C=NNCC(O)(CC)CO;CBYLZPNZQFXUHH-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186156;MM186156;CNC(C#N)CC(O)C=O;OWQGDJQWQHVVQE-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186157;MM186157;C#CC(C)(O)CCN1CC1;MJNDOEIKXGMCON-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186158;MM186158;COC(=N)N(N)C(=O)CO;ROUMRSZDVQDWQQ-UHFFFAOYSA-N;147.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186159;MM186159;C=CC(=O)N(N)C(=O)CO;OPZKJTGVGKZZLY-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186160;MM186160;CC1=NC(=NO)CN1O;UDKBOQDACYDNDI-UHFFFAOYSA-N;129.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186161;MM186161;CNc1cc(C)n(C)n1;AQUXBPZGVWSPHB-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186162;MM186162;C#CC(=N)N(N)C(=O)CO;BPBRXTVPDHRVAO-UHFFFAOYSA-N;141.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186163;MM186163;C=C(CCCC)C(=O)NN;YCBREERDSZQMHA-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186164;MM186164;CNc1cc(N)n(C)n1;CNXXHCPKPOWYMC-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186165;MM186165;CN(N=CNO)C(=O)CO;JDEFUFBLHYEZLS-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186166;MM186166;CCCC=C(C)C(=O)NN;SZWFRHVVUFDPAR-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186167;MM186167;O=c1nc(NO)cnn1O;SDXJGGZBWUGMSQ-UHFFFAOYSA-N;144.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186168;MM186168;Cn1oc(=O)n(O)c1=NN;WGUXPRMAFKKTNM-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186169;MM186169;N#CC(CC(O)CO)=NO;IUKHDQNQQMTDFF-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186170;MM186170;OCC=NOCC(O)CO;YAFUJLNOAIGQAN-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186171;MM186171;CC=NNC1CC1(O)CO;RECWWFWBMAHQOH-UHFFFAOYSA-N;144.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186172;MM186172;C=NN(CC#N)C(=O)CO;YSRKYEWAVNJTKS-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186173;MM186173;CNc1cc(C)n(N)n1;SAKKVFSBZAMCEX-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186174;MM186174;N=C(N)N(C=O)C(=O)CO;FWWAXSFKDXKNPP-UHFFFAOYSA-N;145.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186175;MM186175;N=Cn1nc(F)c(=N)n1O;WLAJVWCNHOCKHN-UHFFFAOYSA-N;145.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186176;MM186176;CNc1cc(N)n(N)n1;CHODDMZHELALSS-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186177;MM186177;Cn1cc(C#N)n(O)c1=N;KSVFKFUGVNWDDD-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186178;MM186178;NN=C(CO)CC#CCO;LOMRBLRLIOQLQJ-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186179;MM186179;O=CC(=O)CC(=O)C=NO;RJXSEIOIUQOPHV-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186180;MM186180;Cc1nc(O)n(O)n1;GDBUYWCYDZMHCT-UHFFFAOYSA-N;115.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186181;MM186181;Cc1nc(=O)n(O)nc1N;RLAJTKDCVIAOSU-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186182;MM186182;CCCc1nc(OC)c[nH]1;MKUIQNXQYSDAFT-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186183;MM186183;C=Cc1c[nH]c(C=CC)n1;VOVKKVIKOYIMKF-UHFFFAOYSA-N;134.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186184;MM186184;CNc1cc(C)n(O)n1;IPAYJJBLOVVDJN-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186185;MM186185;Cc1cc(NN)nn1O;BZDXJGTXOICFJS-UHFFFAOYSA-N;128.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186186;MM186186;Cc1cc(NO)nn1O;IRRWICYSNQKABR-UHFFFAOYSA-N;129.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186187;MM186187;CNc1cc(N)n(O)n1;YQGNHXOURKIFPN-UHFFFAOYSA-N;128.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186188;MM186188;NNc1cc(N)n(O)n1;VKGWLJNIJLDOTA-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186189;MM186189;Nc1cc(NO)nn1O;CADKILXAOFUXCJ-UHFFFAOYSA-N;130.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186190;MM186190;C=Cn1oc(=O)n(O)c1=N;YZDPJCGLJBBBFP-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186191;MM186191;Oc1ccn(O)n1;XWCSMUMYPRCOTI-UHFFFAOYSA-N;100.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186192;MM186192;Cn1nnn(O)c(=O)c1=N;NGDKWSSWRAJHDZ-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186193;MM186193;OCC(COC=NO)=NO;RRRTUMSUBOLARL-UHFFFAOYSA-N;148.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186194;MM186194;Cn1c(=N)[nH]n(O)c1=O;CBMPTPLPEHAFSR-UHFFFAOYSA-N;130.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186195;MM186195;Nn1ncc(CF)c1O;NLVQBWZRDQYACE-UHFFFAOYSA-N;131.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186196;MM186196;Cc1c(N)on(O)c1=NN;HJIYAOFXOHYIQG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186197;MM186197;Cc1cc(=NO)on1C;OKSMOTUAUNRNBH-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186198;MM186198;Cc1on(O)c(=NN)c1N;GBXRJKAUEGSOCH-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186199;MM186199;Cn1oc(=NO)cc1N;PGVAWGASUHMZIB-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186200;MM186200;CN=c1c(N)c(N)on1O;XIGYECDWIRWNAZ-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186201;MM186201;CNc1cc(=NN)n(O)o1;ADLOMYGFFJRIIU-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186202;MM186202;Cc1cc(=NO)on1N;SNBWKAYRRNFGFC-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186203;MM186203;CN=c1cc(OC)on1O;XPCFUHGMWQRSNY-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186204;MM186204;Nc1cc(=NO)on1N;GRBHGKAITAOZBG-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186205;MM186205;C#Cc1cc(=NN)n(O)o1;CGDIWCMWNRYRLT-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186206;MM186206;NN=c1cnn(C=O)n1O;AOVQTMYJGCBQNZ-UHFFFAOYSA-N;143.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186207;MM186207;CCc1c[nH]c(N=O)c1C;FBXGWNNQUNTXCG-UHFFFAOYSA-N;138.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186208;MM186208;Nc1cc(=NO)on1O;QPUDFXGPRFBMKU-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186209;MM186209;O=CNC=NC(CF)=NO;MGFYOEIWOGTTFO-UHFFFAOYSA-N;147.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186210;MM186210;C#CCN1N=CC(O)C1C;OEOIUKWZNKHDEX-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186211;MM186211;CN=c1nc(C)n(C)o1;GYCLAKPRZGINBZ-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186212;MM186212;CNN=c1c(N)con1O;ZQIRJBIHVGNHPH-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186213;MM186213;Cc1nc(=NO)on1C;MTNGWEIZEBSBCO-UHFFFAOYSA-N;129.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186214;MM186214;CN=c1nc(N)n(C)o1;LBQUBKJLRMDQMS-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186215;MM186215;Cn1oc(=NN)nc1N;IRWMGLBJHUFDBE-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186216;MM186216;Cn1c(=O)n(O)c(=O)n1N;RUOFZZGWOCTKSR-UHFFFAOYSA-N;146.11;-2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186217;MM186217;CNN=CCC(C#N)=NO;VNGONTZYBPXQOH-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186218;MM186218;CN=c1on(N)c(=O)n1O;MYXIBCGTGYKFGT-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186219;MM186219;CN=c1nc(C)n(N)o1;QYVUHGDOPGPNJV-UHFFFAOYSA-N;128.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186220;MM186220;NN=COCCC#CCO;ZRVOSAUJWODDRQ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186221;MM186221;CC=NOCCC#CCO;ADGRCPZWEPVSPZ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186222;MM186222;CN=c1nc(N)n(N)o1;IIHGDNGCWGFYIS-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186223;MM186223;NN=c1nc(N)n(N)o1;XXTXBKNHIJNKCP-UHFFFAOYSA-N;130.11;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186224;MM186224;C=CNC(=O)C(C=O)C=O;QZFCSRSSVSTBBF-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186225;MM186225;O=Cc1nc(=O)n(O)o1;CTBBHZSMJRYTBA-UHFFFAOYSA-N;130.06;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186226;MM186226;CC1NN=CC1O;GAFVQKORQXGQDS-UHFFFAOYSA-N;100.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186227;MM186227;N=CN(N)C(=O)CO;RPZBHXQNFMHXSA-UHFFFAOYSA-N;117.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186228;MM186228;Cn1[nH]c(O)nc(=O)c1=O;DQFIMQSSRSHIAK-UHFFFAOYSA-N;143.1;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186229;MM186229;N#Cc1cnn(O)c(=O)n1;DKCRLHAOTZVNFQ-UHFFFAOYSA-N;138.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186230;MM186230;O=c1ncn(O)c(=O)[nH]1;QDSZGSBDLDZYOA-UHFFFAOYSA-N;129.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186231;MM186231;C=C1CC(=CC)C=C1C;ZUSPPYLMFBRGIM-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186232;MM186232;C=C1CC(=CF)C=C1C;RCFIULHOIQAERL-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186233;MM186233;C=C1CC(=CC)C=C1F;KZSHDHZPZTZGGA-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186234;MM186234;C=C1CC(=CF)C=C1F;GNVPBUCUFYWKQY-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186235;MM186235;CC=C1C=C(C)C(=O)C1;IGQSBDXCXDMOPH-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186236;MM186236;CC1=CC(=CF)CC1=O;KCAPOJNDIJKVBO-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186237;MM186237;CC=C1C=C(F)C(=O)C1;YFUIIAXGZLYCAP-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186238;MM186238;O=C1CC(=CF)C=C1F;MVNUQWYLVBFRCR-UHFFFAOYSA-N;130.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186239;MM186239;C=C1CC(=NN)C=C1C;FISLGCBBFQKWJL-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186240;MM186240;C=Cc1nc(N)n[nH]1;VAZOGXJIQMCZMC-UHFFFAOYSA-N;110.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186241;MM186241;NC(=O)CC=NOC=O;CHNBWVKZELUOEW-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186242;MM186242;C=NOCCC(O)C=O;VSDPUGOEIIUCKB-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186243;MM186243;C=C1CC(=NO)C=C1F;XXVGTSSIKGFRPJ-UHFFFAOYSA-N;127.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186244;MM186244;CC1=CC(=NO)CC1=O;QKJDJHFQVCMYSR-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186245;MM186245;NC1=CC(=NO)CC1=O;AZUXXZIAXPDGAM-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186246;MM186246;O=C1CC(=NO)C=C1F;OSAZVXTXQVHPER-UHFFFAOYSA-N;129.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186247;MM186247;CC=C1C=C(C)C(=N)N1;RBAOVAPFBKAEMO-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186248;MM186248;CC1=CC(=CF)NC1=N;OVGZYNHNNONLTN-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186249;MM186249;CC=C1C=C(F)C(=N)N1;YLLSCXQAGACTQX-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186250;MM186250;CC=C1C=C(C)C(=O)N1;JKXJKBNDOPEENE-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186251;MM186251;CC1=CC(=CF)NC1=O;XQZBVBOEHHKQQI-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186252;MM186252;CC=C1C=C(F)C(=O)N1;DAJFMXNHMRBPQA-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186253;MM186253;O=C1NC(=CF)C=C1F;ZIIWJEXGTFLZSL-UHFFFAOYSA-N;131.08;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186254;MM186254;C=C1NC(=NC)C=C1C;IHQGLPKZAQYDRL-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186255;MM186255;C=C1NC(=NO)C=C1C;YNVHUKLLELLNPN-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186256;MM186256;C=C1NC(=NC)C=C1N;ZPLMXTAMMOJOJU-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186257;MM186257;C=C1NC(=NO)C=C1N;RQTFZHHFKAGPLY-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186258;MM186258;CN=CN(N)C(=O)CO;UUEVAKQPVCSXRH-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186259;MM186259;CN=C1C=C(C)C(=N)N1;MRTJEDAJIHEWBM-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186260;MM186260;CN=C1C=C(N)C(=N)N1;AFMRHKLEHFTSFO-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186261;MM186261;N=C1NC(=NN)C=C1N;COILYOACBYPXQF-UHFFFAOYSA-N;125.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186262;MM186262;N=c1oc(F)c(N)n1O;IONWXMSNSODYIV-UHFFFAOYSA-N;133.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186263;MM186263;CC12CC1NC(=O)N2N;LNWLMEOMECNNRV-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186264;MM186264;CN=C1C=C(C)C(=O)N1;VONQIWJVZQBRGS-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186265;MM186265;CC1=CC(=NN)NC1=O;YCCOANOYXVWFBT-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186266;MM186266;CN=C1C=C(N)C(=O)N1;KSZLHQPYBAADKC-UHFFFAOYSA-N;125.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186267;MM186267;NN=C1C=C(N)C(=O)N1;AABHBANPFLMYRQ-UHFFFAOYSA-N;126.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186268;MM186268;NC1=CC(=NO)NC1=O;BONZXPXTANZINP-UHFFFAOYSA-N;127.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186269;MM186269;CN=C1C=C(F)C(=O)N1;LSIXLIYMHZHHIK-UHFFFAOYSA-N;128.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186270;MM186270;NN=C1C=C(F)C(=O)N1;OSAIXNFESHBDHK-UHFFFAOYSA-N;129.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186271;MM186271;C=C1NC(=NC)N=C1C;RDKMHDAVAKZHKY-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186272;MM186272;C=C1NC(=NO)N=C1C;DOIUEFZEECYVBD-UHFFFAOYSA-N;125.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186273;MM186273;C=CCc1nc(N)n[nH]1;TZDOPUDUQDFULL-UHFFFAOYSA-N;124.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186274;MM186274;CC1=NC(=NO)NC1=N;OHTGSYFSNLDLQE-UHFFFAOYSA-N;126.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186275;MM186275;CN=C1N=C(C)C(=O)N1;WAILJSHWNHMBQP-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186276;MM186276;CC1=NC(=NN)NC1=O;CJAQTSFLMBIRKF-UHFFFAOYSA-N;126.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186277;MM186277;C=c1oc(=CC)cc1C;LSOUCGXOOLAMQC-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186278;MM186278;C=c1oc(=CF)cc1C;OCYOINWLYWYVPU-UHFFFAOYSA-N;126.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186279;MM186279;C=c1oc(=CC)cc1F;SXMVMBCYZXRBOP-UHFFFAOYSA-N;126.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186280;MM186280;C=c1oc(=CF)cc1F;YFSYOPQUPJVCIK-UHFFFAOYSA-N;130.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186281;MM186281;CC=C1C=C(C)C(=O)O1;SGZYJTFRCYHNFA-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186282;MM186282;CC1=CC(=CF)OC1=O;BEJLXCIHRLZDBI-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186283;MM186283;CC=C1C=C(F)C(=O)O1;BTNBHOAINYXJQL-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186284;MM186284;CCNc1n[nH]c(N)n1;INXLBBMSXGKPRE-UHFFFAOYSA-N;127.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186285;MM186285;C=C1OC(=NO)C=C1C;AZUWGFZQIDFCCH-UHFFFAOYSA-N;125.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186286;MM186286;CC1C=CN(C=O)C1=N;QXZVCIPWPRWEEV-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186287;MM186287;C=C1OC(=NO)C=C1N;JWUJJDAXAIEZMM-UHFFFAOYSA-N;126.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186288;MM186288;CNN(C=N)C(=O)CO;GNVSEKXBOSMHJC-UHFFFAOYSA-N;131.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186289;MM186289;OCC#CCCN1CC1;KQYGSJMKHFOXMZ-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186290;MM186290;CC(C)(C)CCC(=O)NN;CUJOYKPMDJUTFY-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186291;MM186291;Nc1nc(=O)n(O)o1;WRLUOKIZMCGFCE-UHFFFAOYSA-N;117.06;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186292;MM186292;CN=C1N=C(C)C(=O)O1;QYRDFWQQFOWCOQ-UHFFFAOYSA-N;126.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186293;MM186293;CCC(C)(C)CC(=O)NN;SKYCUFHQMVJFAN-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186294;MM186294;CCC1=CC(C)C(C)C1;FNUPAOZAJCSHPD-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186295;MM186295;CC1C=C(CN)CC1C;HRNCNORYCYKWKF-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186296;MM186296;CC1C=C(CO)CC1C;DFBYSULMTLIUHA-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186297;MM186297;CC1C=C(CF)CC1C;CEVBQKZFLIDMSV-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186298;MM186298;CCC1=CC(N)C(C)C1;DTUHJAXPXKTOEE-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186299;MM186299;CC1CC(CN)=CC1N;HVZIHMTWMUEPJU-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186300;MM186300;CC1CC(CO)=CC1N;KYEMFEPJFZPRHW-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186301;MM186301;CC1CC(CF)=CC1N;SXMQMCXFMILDKB-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186302;MM186302;CC(C)(C)CCNNC=O;FIUVCXNYLSSMHA-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186303;MM186303;CC1CC(CN)=CC1O;NWWFBLWYAJETJL-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186304;MM186304;CC1CC(CO)=CC1O;YKOHJUSSZBAURF-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186305;MM186305;CC1CC(CF)=CC1O;FMQDENSIGHYDEX-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186306;MM186306;CCC1=CC(F)C(C)C1;ASXCBDFHKVQVAA-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186307;MM186307;CC1CC(CN)=CC1F;HHARBVPQAKWDOE-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186308;MM186308;CC1CC(CO)=CC1F;IOSDNKCVUOSPCS-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186309;MM186309;CC1CC(CF)=CC1F;AVRHBYNQQIUCMA-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186310;MM186310;CCC1=CC(C)C(N)C1;WVIPLLGLNDUXBQ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186311;MM186311;CC1C=C(CN)CC1N;LTDFKPJSSWQPLO-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186312;MM186312;CC1C=C(CO)CC1N;PSCVJVSXNBUOKX-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186313;MM186313;CC1C=C(CF)CC1N;OGYPETDEQUGCJQ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186314;MM186314;CCC1=CC(N)C(N)C1;IBRNQCVTKPPFOH-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186315;MM186315;NCC1=CC(N)C(N)C1;ROLXUTUBQQNFTA-UHFFFAOYSA-N;127.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186316;MM186316;NC1C=C(CO)CC1N;CDCHGVCVCSOAHH-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186317;MM186317;NC1C=C(CF)CC1N;RUGDTCFZMOUSON-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186318;MM186318;CCC1=CC(O)C(N)C1;KYHRADWSWMQMJC-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186319;MM186319;NCC1=CC(O)C(N)C1;XNSWFZBAOPOCSE-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186320;MM186320;NC1CC(CO)=CC1O;GVWUQDIWCYKGIK-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186321;MM186321;NC1CC(CF)=CC1O;OIURKWBENCNDOU-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186322;MM186322;NCC1=CC(F)C(N)C1;IZQOWEDFPCNUCP-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186323;MM186323;NC1CC(CO)=CC1F;MVVJDUSYSPOTCS-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186324;MM186324;NC1CC(CF)=CC1F;DALNNVYUESVFGJ-UHFFFAOYSA-N;133.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186325;MM186325;NN=CC(F)(CO)C(N)=O;LIKLHNWGKWBIOK-UHFFFAOYSA-N;149.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186326;MM186326;CC1C=C(CN)CC1O;VLKSFMNHULEERS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186327;MM186327;CC1C=C(CF)CC1O;FGZUPCHVAGEIFQ-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186328;MM186328;CCC1=CC(N)C(O)C1;HYCITBNNEFZFAH-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186329;MM186329;NCC1=CC(N)C(O)C1;CDBORCCHZQUPHZ-UHFFFAOYSA-N;128.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186330;MM186330;NC1C=C(CO)CC1O;LBVDBXUEPBTKRI-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186331;MM186331;NC1C=C(CF)CC1O;MTDHCTUCGIKKRU-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186332;MM186332;CCC1=CC(O)C(O)C1;WVTWFSBAZOINCC-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186333;MM186333;NCC1=CC(O)C(O)C1;LTQMLOOKLPRGLA-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186334;MM186334;OCC1=CC(O)C(O)C1;SKSNEGDGQLEAFW-UHFFFAOYSA-N;130.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186335;MM186335;OC1C=C(CF)CC1O;FQASQULVOZSKDX-UHFFFAOYSA-N;132.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186336;MM186336;CCC1=CC(F)C(O)C1;DNEIXXYBBGACKN-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186337;MM186337;OCC1=CC(F)C(O)C1;JFSXLESFLKNTTQ-UHFFFAOYSA-N;132.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186338;MM186338;OC1CC(CF)=CC1F;UIEHIWNCMRMIHN-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186339;MM186339;CCC1=CC(C)C(F)C1;GGQONFODEHSCFJ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186340;MM186340;CC1C=C(CN)CC1F;IJPRWKWYASGHPS-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186341;MM186341;CC1C=C(CO)CC1F;BPYUONKOYDYJTO-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186342;MM186342;CC1C=C(CF)CC1F;FTULLGHLADOZTE-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186343;MM186343;CCC1=CC(N)C(F)C1;PHSYSHVKBRUUCP-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186344;MM186344;NCC1=CC(N)C(F)C1;FZDCOIXZVBMINF-UHFFFAOYSA-N;130.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186345;MM186345;NC1C=C(CF)CC1F;DJQBETXOTOAKRE-UHFFFAOYSA-N;133.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186346;MM186346;NCC1=CC(O)C(F)C1;ZIPLNNJKNKKKIK-UHFFFAOYSA-N;131.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186347;MM186347;OCC1=CC(O)C(F)C1;ULPUKHGPSGRZBT-UHFFFAOYSA-N;132.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186348;MM186348;CCC1=CC(F)C(F)C1;GQWSGWWPYVECNY-UHFFFAOYSA-N;132.15;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186349;MM186349;COC1=CC(C)C(C)C1;XRUDUFGDUYTRBP-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186350;MM186350;COC1=CC(N)C(C)C1;YOYMDEOKFWDYAC-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186351;MM186351;COC1=CC(O)C(C)C1;RMLUXDCXBZFCQM-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186352;MM186352;COC1=CC(F)C(C)C1;QCFLTGIVZJVNJG-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186353;MM186353;COC1=CC(C)C(N)C1;RZZBFSWQOGLJND-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186354;MM186354;COC1=CC(N)C(N)C1;LIIOLPWZEFPCKR-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186355;MM186355;COC1=CC(O)C(N)C1;RPOQIVUMBLDWLV-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186356;MM186356;COC1=CC(F)C(N)C1;SHZVWGLMIFZSHF-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186357;MM186357;COC1=CC(C)C(O)C1;HOLRCJSYDGKPSR-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186358;MM186358;COC1=CC(N)C(O)C1;VSTSAEBQOJHSBR-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186359;MM186359;COC1=CC(O)C(O)C1;QPPCNKLECWPWOY-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186360;MM186360;COC1=CC(F)C(O)C1;KKYWNIMDOOYQRQ-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186361;MM186361;COC1=CC(C)C(F)C1;GPMFLIJRBIWXIR-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186362;MM186362;COC1=CC(N)C(F)C1;IPPCXNGHIWFGGM-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186363;MM186363;COC1=CC(O)C(F)C1;NHKUNQKFICJKAN-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186364;MM186364;CCC1=NC(C)C(C)N1;JVKHIHIHYROHGB-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186365;MM186365;CC1N=C(CN)NC1C;VOGSFMVWIXSWJI-UHFFFAOYSA-N;127.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186366;MM186366;CC1N=C(CO)NC1C;ODCVQBFMSWESMF-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186367;MM186367;CC1N=C(CF)NC1C;MMASPKIJIJBOGF-UHFFFAOYSA-N;130.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186368;MM186368;CNC1=NC(C)C(C)N1;XQAHGKAIBRJIPF-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186369;MM186369;CC1N=C(NN)NC1C;YRMXRERPQXMSOP-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186370;MM186370;CC1N=C(NO)NC1C;LPJPPXPOLFMQDZ-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186371;MM186371;CCC1=CC(C)C(C)O1;YBHXKVMORWZDRT-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186372;MM186372;CC1C=C(CN)OC1C;FWMBVIGVCDKZDL-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186373;MM186373;CC1C=C(CO)OC1C;MASKERWUBNMKLH-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186374;MM186374;CC1C=C(CF)OC1C;JZGFIDOTEDKBBS-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186375;MM186375;CCC1=CC(N)C(C)O1;AEKDULHYFHKAFP-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186376;MM186376;CC1OC(CN)=CC1N;AWWFDUWUGPXIGA-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186377;MM186377;CC1OC(CO)=CC1N;YXGFOUCZUZYIOC-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186378;MM186378;CC1OC(CF)=CC1N;PGFQTUFRZROZGT-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186379;MM186379;CCC1=CC(O)C(C)O1;QLWZMFXDFGUBBE-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186380;MM186380;CC1OC(CN)=CC1O;PNLCLRWZGRWJQJ-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186381;MM186381;CC1OC(CO)=CC1O;SNJALJBLVBAQIV-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186382;MM186382;CC1OC(CF)=CC1O;UOXXLRCDTUIWQZ-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186383;MM186383;CCC1=CC(F)C(C)O1;HYYPIWPUUJUDFX-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186384;MM186384;CC1N=C(NN)OC1C;SXTVCCHTHQWCRD-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186385;MM186385;CCC1=NN(C)C(C)C1;KJJAFQFRGQBREL-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186386;MM186386;CC(C)CCCC(=O)NN;PZNOZSZWCOTYGP-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186387;MM186387;CC1CC(CF)=NN1C;IBEOTUBFXNRSOR-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186388;MM186388;COC1=NN(C)C(C)C1;OWKXNTBFAMRYKD-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186389;MM186389;CCC1=CC(C)N(C)C1;QOIXUDVFWDGXLM-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186390;MM186390;CC1C=C(CN)CN1C;WUDHXAALGSJWOP-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186391;MM186391;CC1C=C(CO)CN1C;FPVMDMOFZMGPLB-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186392;MM186392;CC1C=C(CF)CN1C;QSOYYJPAKSVIIA-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186393;MM186393;COC1=CC(C)N(C)C1;MEFZCADRVPZNSV-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186394;MM186394;C=CC1=CC(C)C(C)C1;OROONKXQWCUFHO-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186395;MM186395;CC1C=C(C=O)CC1C;WYAIURMIBLAMAN-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186396;MM186396;CC1C=C(C#N)CC1C;SGTREWGOBQJCRV-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186397;MM186397;C=CC1=CC(N)C(C)C1;DTFQOJMMONUTQC-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186398;MM186398;CCCC(C)CC(=O)NN;OVOMWMTVZRUROD-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186399;MM186399;CC1CC(C=O)=CC1O;GKIQJFPKPIJITL-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186400;MM186400;CC1CC(C#N)=CC1O;QCGUYVUACKBWCZ-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186401;MM186401;C=CC1=CC(F)C(C)C1;JZPYTHRLBFBGSD-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186402;MM186402;CC1CC(C=O)=CC1F;MFECXDVOIDZFKC-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186403;MM186403;CC1CC(C#N)=CC1F;RARCDRGNPNBCPU-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186404;MM186404;C=CC1=CC(C)C(N)C1;TTYIHYCYKDZUFH-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186405;MM186405;C=CC1=CC(N)C(N)C1;YOBNHKJAHYPINR-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186406;MM186406;C=CC1=CC(O)C(N)C1;RTYIZPJMBKCOTK-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186407;MM186407;C=CC1=CC(F)C(N)C1;MWRFIFQJQQJTHI-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186408;MM186408;CC(C)CCCNNC=O;AEEZRRGDNTVPIG-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186409;MM186409;CC1C=C(C=O)CC1O;LVRKQJCMFCDXBU-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186410;MM186410;CC1C=C(C#N)CC1O;BDKUSSWFXXJMCM-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186411;MM186411;C=CC1=CC(N)C(O)C1;RAVCTBQRSFSWMR-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186412;MM186412;C=CC1=CC(O)C(O)C1;PQCJUGUKYUJTFI-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186413;MM186413;O=CC1=CC(O)C(O)C1;PUJJEVDIXFREOA-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186414;MM186414;N#CC1=CC(O)C(O)C1;PGERPIMRQQXESO-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186415;MM186415;C=CC1=CC(F)C(O)C1;MQLYHLYEYXSMPK-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186416;MM186416;N#CC1=CC(F)C(O)C1;HPKBTPIROSDMOQ-UHFFFAOYSA-N;127.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186417;MM186417;C=CC1=CC(C)C(F)C1;NUVJKMKPJUQIDX-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186418;MM186418;CC1C=C(C=O)CC1F;RWVYDNOZUNTWEQ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186419;MM186419;CC1C=C(C#N)CC1F;OWLYORUTUXQSTO-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186420;MM186420;C=CC1=CC(N)C(F)C1;JQUNAWXCWRMHLA-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186421;MM186421;C=CC1=CC(O)C(F)C1;MOONFQNZNUBUPN-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186422;MM186422;O=CC1=CC(O)C(F)C1;XFMXGLJZGRYMTJ-UHFFFAOYSA-N;130.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186423;MM186423;N#CC1=CC(O)C(F)C1;PIXWCULDCQFYMN-UHFFFAOYSA-N;127.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186424;MM186424;O=CC1=CC(F)C(F)C1;ZFKFWEDVPSRAQM-UHFFFAOYSA-N;132.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186425;MM186425;C=CC1=NC(C)C(C)N1;NLRQBOMGIPAWED-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186426;MM186426;CC1N=C(C=O)NC1C;PIWBQLAMAWQVPT-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186427;MM186427;CC1N=C(C#N)NC1C;JHUAXBKVLRAUTR-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186428;MM186428;C=CC1=CC(C)C(C)O1;GJKWBHMVBFWXNO-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186429;MM186429;CC1C=C(C=O)OC1C;JEBFMDBVSQIWBU-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186430;MM186430;CC1C=C(C#N)OC1C;BSAASKARWHECFZ-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186431;MM186431;C=CC1=CC(N)C(C)O1;LZVGZWJZPQCVBJ-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186432;MM186432;C=CC1=CC(O)C(C)O1;STFFWAOXSYEWEH-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186433;MM186433;CC1OC(C=O)=CC1O;LZDOVNOIRVHZRX-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186434;MM186434;CC1OC(C#N)=CC1O;PSWKYRCSAAWKFV-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186435;MM186435;C=CC1=CC(F)C(C)O1;JLCNZLVHZBWXOQ-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186436;MM186436;CC1OC(C=O)=CC1F;JJTHPHNHSUSHSV-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186437;MM186437;CC1OC(C#N)=CC1F;QUSXWSWXSAMHHQ-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186438;MM186438;CC1CC(C=O)=CN1C;IWOQGLSPIPLNFV-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186439;MM186439;CC1CC(C#N)=CN1C;PDKSVUPXVDCBMB-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186440;MM186440;C=CC1=NN(C)C(C)C1;AROPWTFJVSRZBP-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186441;MM186441;CC1CC(C=O)=NN1C;CFEDRAIRTVSUDI-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186442;MM186442;CC1CC(C#N)=NN1C;SJLCLHZNXKGFQI-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186443;MM186443;C=CC1=CC(C)N(C)C1;DYVVPQQUIZNOIZ-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186444;MM186444;C#CC1=CC(C)C(C)C1;AWMYYAACRSJYFU-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186445;MM186445;C#CC1=CC(N)C(C)C1;NTAMSTJOEHPVCR-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186446;MM186446;CCCC(C)CNNC=O;HGRVNCBLHDIYEC-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186447;MM186447;C#CC1=CC(F)C(C)C1;HNZIEIBKSQDQCQ-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186448;MM186448;C#CC1=CC(C)C(N)C1;KUVSJMNXICEJHY-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186449;MM186449;C#CC1=CC(N)C(N)C1;QKYNCLWCHZJBET-UHFFFAOYSA-N;122.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186450;MM186450;C#CC1=CC(O)C(N)C1;MPFLLNRGFNZARY-UHFFFAOYSA-N;123.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186451;MM186451;C#CC1=CC(F)C(N)C1;MXCBVHPYJCFMAL-UHFFFAOYSA-N;125.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186452;MM186452;CC(C=NN)CC#CCO;GFPHLYKISGTBIR-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186453;MM186453;C#CC1=CC(N)C(O)C1;YOXAAUXCTAJXQV-UHFFFAOYSA-N;123.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186454;MM186454;C#CC1=CC(O)C(O)C1;SKPIDUIETQTVGJ-UHFFFAOYSA-N;124.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186455;MM186455;C#CC1=CC(C)C(F)C1;JFTGKHGFQNDQMR-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186456;MM186456;C#CC1=CC(N)C(F)C1;KLRLNOSNLWQASM-UHFFFAOYSA-N;125.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186457;MM186457;C#CC1=CC(O)C(F)C1;OZHWPPKOQCZLKV-UHFFFAOYSA-N;126.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186458;MM186458;C#CC1=CC(C)C(C)O1;XMYGJFNDNDLIAZ-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186459;MM186459;C#CC1=CC(N)C(C)O1;CMOZENFXIPEWFF-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186460;MM186460;C#CC1=CC(O)C(C)O1;QTFHMISTMPFIIY-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186461;MM186461;C#CC1=CC(F)C(C)O1;MWZPPNBAVDRQNH-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186462;MM186462;C#CC1=NN(C)C(C)C1;JESWHWKFVSEIKY-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186463;MM186463;C#CC1=CC(C)N(C)C1;MPAUGPLPAYURCK-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186464;MM186464;C=C1C=C(CC)CC1C;KYIVXHIIZPGKEZ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186465;MM186465;C=C1C=C(CN)CC1C;IMAQNSKBCLXTNQ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186466;MM186466;CNC(C#N)C(=O)C(C)O;JVHSEZNOILUORE-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186467;MM186467;C=C1C=C(CF)CC1C;CNRQFMDFRFICBX-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186468;MM186468;CCC1=CC(=O)C(C)C1;YJSYYVJPUAEWOC-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186469;MM186469;CC1CC(CO)=CC1=O;ZFGRFAXWSNSCCD-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186470;MM186470;CC1CC(CF)=CC1=O;SEQDUKXFRKSSQX-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186471;MM186471;C=C1C=C(CC)CC1N;VGWUYVBOUGHTSS-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186472;MM186472;C=C1C=C(CN)CC1N;CGJBYNZCLXEDHA-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186473;MM186473;C=C1C=C(CO)CC1N;PWFWXOBYKKRCBN-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186474;MM186474;C=C1C=C(CF)CC1N;UKRYOFWWJSYYGR-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186475;MM186475;CC(C)C(C)CNNC=O;DEFGTJXTTSKNSF-UHFFFAOYSA-N;144.22;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186476;MM186476;C=C1C=C(CN)CC1O;UJHMUBDENRUAMT-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186477;MM186477;C=C1C=C(CO)CC1O;FTXZZCGGWRWCBR-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186478;MM186478;C=C1C=C(CF)CC1O;VSIBQMGYDOENSZ-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186479;MM186479;CCC1=CC(=O)C(O)C1;GTVWLVXTGSJHAY-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186480;MM186480;O=C1C=C(CO)CC1O;MUGVFQVCAMBYCR-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186481;MM186481;O=C1C=C(CF)CC1O;KBYZRUNICYYQMX-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186482;MM186482;C=C1C=C(CC)CC1F;KHBOPKRLANJAAS-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186483;MM186483;C=C1C=C(CN)CC1F;ULKNUVYIXLFXMU-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186484;MM186484;C=C1C=C(CO)CC1F;FZWZFSDXXHLZRA-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186485;MM186485;C=C1C=C(CF)CC1F;HOHXAIASKQHZFY-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186486;MM186486;CCC1=CC(=O)C(F)C1;BUUNXEQRDLLIKR-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186487;MM186487;O=C1C=C(CF)CC1F;HZVOEJNFBXTYOQ-UHFFFAOYSA-N;132.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186488;MM186488;CNC1=CC(=O)C(C)C1;RSNCCELFBKBHDY-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186489;MM186489;CNC1=CC(=O)C(O)C1;QVSVHSVAWTUUSE-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186490;MM186490;CNC1=CC(=O)C(F)C1;YKZYHIJIXQINQL-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186491;MM186491;C=C1C=C(OC)CC1C;CCEZLHLQOHYGPA-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186492;MM186492;COC1=CC(=O)C(C)C1;NZTJEEGLEFZNGS-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186493;MM186493;C=C1C=C(OC)CC1N;OGBWBUAGYZKCSC-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186494;MM186494;C=C1C=C(OC)CC1O;VJTVNLDLPRKJQT-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186495;MM186495;COC1=CC(=O)C(O)C1;ADPFLRFLSQTOCK-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186496;MM186496;C=C1C=C(OC)CC1F;OCYVOLPYZVLIHK-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186497;MM186497;COC1=CC(=O)C(F)C1;LFZAPYVUCDCBTK-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186498;MM186498;CCc1cc(O)c(C)[nH]1;YICNJUROOYJDAY-UHFFFAOYSA-N;125.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186499;MM186499;Cc1[nH]c(CO)cc1O;XMEZDYJSGKBXHS-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186500;MM186500;Cc1[nH]c(CF)cc1O;NUONSNJCIARMHF-UHFFFAOYSA-N;129.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186501;MM186501;CNc1cc(O)c(C)[nH]1;HLJLJJHORKINHI-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186502;MM186502;COc1cc(O)c(C)[nH]1;PHOKQMMWJQSWSJ-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186503;MM186503;CC(=NN)C(F)(CO)CO;SGQGYAROFPVEDC-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186504;MM186504;CC1N=C(CO)NC1=O;GRKNHQPQXQASRP-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186505;MM186505;CC1N=C(CF)NC1=O;ZLHSKAZTJDXNRQ-UHFFFAOYSA-N;130.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186506;MM186506;CNC1=NC(=N)C(C)N1;HNJIBIUBFAZNSD-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186507;MM186507;CC1NC(NN)=NC1=N;JQLQEDHCIFQCOE-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186508;MM186508;CCC(C)CCC(=O)NN;BCTYUFBWUIHRHF-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186509;MM186509;CCC(CC)CC(=O)NN;PZMDTOVLVDCLMV-UHFFFAOYSA-N;144.22;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186510;MM186510;COC1=NC(=O)C(C)N1;VTGZSKUJPGKSOM-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186511;MM186511;C=C1C=C(CC)OC1C;QZNOALOVNKIFDT-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186512;MM186512;C=C1C=C(CN)OC1C;ITEDDPMDUQIVSM-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186513;MM186513;C=C1C=C(CO)OC1C;YILDTYYZBRVJBD-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186514;MM186514;C=C1C=C(CF)OC1C;WNYKZZMKLIHCPT-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186515;MM186515;C#CC(O)CC(=NN)OC;KUALELNOLGOYMB-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186516;MM186516;C=CC1(CC(O)C=O)CN1;NWRVHSMLYPXNGW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186517;MM186517;CCC1=CC(=N)N(C)C1;AIMUEBFNLZPDPH-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186518;MM186518;CN1CC(CN)=CC1=N;YALUJHFHTOWIRX-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186519;MM186519;CN1CC(CO)=CC1=N;OZYFLOOTKRJOHI-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186520;MM186520;CN1CC(CF)=CC1=N;DNQASDZSFNIOJM-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186521;MM186521;CCC1=CC(=O)N(C)C1;BYYKAWCMERBRMO-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186522;MM186522;CN1CC(CN)=CC1=O;PMKGSKRUVUWNDY-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186523;MM186523;CN1CC(CO)=CC1=O;VMPVVXNSFPXJRZ-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186524;MM186524;CCC1=CC(=N)N(N)C1;VIPWITXQOVTVSC-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186525;MM186525;N=C1C=C(CO)CN1N;YGACNNIYGYDBJR-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186526;MM186526;N=C1C=C(CF)CN1N;CKEKEODRXRVEMD-UHFFFAOYSA-N;129.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186527;MM186527;CCC1=CC(=O)N(N)C1;ITKVOBFKXPTIBT-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186528;MM186528;N=C1C=C(CN)CN1O;ZJNHGVCHPPGMRN-UHFFFAOYSA-N;127.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186529;MM186529;CCC1=CC(=O)N(O)C1;HVXFYUKABFTZGZ-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186530;MM186530;CNC1=CC(=N)N(C)C1;MBLNEIWIMZSTBO-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186531;MM186531;CNC1=CC(=O)N(C)C1;SGTXTXVCFPZOIP-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186532;MM186532;CNC1=CC(=N)N(N)C1;XDFGOICUYIZKPY-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186533;MM186533;CNC1=CC(=O)N(N)C1;WSFSOQNIEMHLRN-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186534;MM186534;COC1=CC(=N)N(C)C1;VRWQJEQXVIFGCP-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186535;MM186535;COC1=CC(=O)N(C)C1;VRQCKEDJWJPNJH-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186536;MM186536;COC1=CC(=O)N(N)C1;USTJYHDRHIIAMW-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186537;MM186537;O=CC(O)CC1(C=O)CN1;RDNZSUFVTORUHG-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186538;MM186538;Nc1cnoc1O;QPRKKSUFLHGJLX-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186539;MM186539;C=Nn1nc(C)n(O)c1=O;JCYMPFYJETWSFW-UHFFFAOYSA-N;142.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186540;MM186540;C#CC(C)(F)C(C)=NO;LDTGLFJAHMHBMW-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186541;MM186541;COC(C)(C#N)C=NO;YJKYLWRQFZGPBC-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186542;MM186542;CN=c1[nH]c(=O)n(O)[nH]1;FBRUXIFSTSVUPL-UHFFFAOYSA-N;130.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186543;MM186543;CNc1cc(=O)n(C)[nH]1;YPCXXPLDDAAHEB-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186544;MM186544;CN=c1nc(O)n(C)o1;ILMKYZZUZDPRPG-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186545;MM186545;N=c1n(N)oc(=O)n1O;WUSOOYBPVQVOJT-UHFFFAOYSA-N;132.08;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186546;MM186546;NNc1n[nH]c(N)c1O;CTWJARNZGAVUAH-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186547;MM186547;C=C(F)C(=O)CC(=O)C=O;PEHSLXVVZWKMHS-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186548;MM186548;COc1cnc(=O)n(O)n1;LFMRLHLXOUVRMZ-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186549;MM186549;CCC(=N)N(N)C(=O)CO;XEMFDCMERNOVRQ-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186550;MM186550;C#Cc1nc(=O)n(O)o1;VVPRMUNBQPVENV-UHFFFAOYSA-N;126.07;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186551;MM186551;CC#Cc1nc(=O)n(O)o1;OKPPBILCUWGMLA-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186552;MM186552;CC(=O)c1n[nH]c(=O)n1O;VOSVEJCEZDPMDY-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186553;MM186553;CCc1cc(=N)n(C)o1;XDIAICQDEOLGHB-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186554;MM186554;Cn1oc(CN)cc1=N;XDFBVDCECOPVCQ-UHFFFAOYSA-N;127.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186555;MM186555;Cn1oc(CO)cc1=N;WSFICZWPEGLTCN-UHFFFAOYSA-N;128.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186556;MM186556;Cn1oc(CF)cc1=N;SXMUKNZNTOHVGP-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186557;MM186557;CCc1cc(=O)n(C)o1;MQVKGUBPRYVABD-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186558;MM186558;Cn1oc(CO)cc1=O;HRYSBFBDXBEHCB-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186559;MM186559;Cn1oc(CF)cc1=O;YSNOROZZLNLRBV-UHFFFAOYSA-N;131.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186560;MM186560;CCc1cc(=O)n(N)o1;UZCIVJYNUNGULP-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186561;MM186561;N=C(CF)N(N)C(=O)CO;YAFALYNMPNIHCB-UHFFFAOYSA-N;149.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186562;MM186562;Nn1oc(CF)cc1=O;IXQKGTZRCYCWQI-UHFFFAOYSA-N;132.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186563;MM186563;Cn1nc(C=O)n(O)c1=O;CSYJMANPXVWHBH-UHFFFAOYSA-N;143.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186564;MM186564;Cc1nc(=O)[nH]c(=NN)o1;GTDYEEWIGRAXER-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186565;MM186565;CNc1nc(=O)n(O)o1;DNYPSQNXMBTKDZ-UHFFFAOYSA-N;131.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186566;MM186566;CNc1cc(=N)n(C)o1;CJMUDZGGSYPFSU-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186567;MM186567;CNc1cc(=O)n(C)o1;PVZCHUWNSJXQOZ-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186568;MM186568;C=C(C#N)N(O)C(=N)CO;NXDYQAQAIJWNOH-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186569;MM186569;Nc1nn(O)c(=O)n1O;NJAZMERWRRLGKS-UHFFFAOYSA-N;132.08;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186570;MM186570;COc1cc(=O)n(C)o1;UPNJSGGBXLKGJV-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186571;MM186571;COc1cc(=O)n(N)o1;ZPKNCSYJIZCQFG-UHFFFAOYSA-N;130.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186572;MM186572;Cc1ncn(O)c(=O)n1;ZIICLEBIHXQPFX-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186573;MM186573;CCc1nc(=O)n(C)o1;RYQOKIKPQFUFNG-UHFFFAOYSA-N;128.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186574;MM186574;Cn1oc(CO)nc1=O;RNFJAIJCJJZWFT-UHFFFAOYSA-N;130.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186575;MM186575;Cn1oc(CF)nc1=O;ZBYODXYATDWWJM-UHFFFAOYSA-N;132.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186576;MM186576;C#CC(=C)N(N)C(=O)CO;VKUOSWLFKZFUBT-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186577;MM186577;N=c1nc(CF)on1N;JKXFBFXIMKAFEN-UHFFFAOYSA-N;132.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186578;MM186578;CCc1nc(=O)n(N)o1;LBBBUNMDAURXQY-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186579;MM186579;Nn1oc(CO)nc1=O;GQHZVLKCEYJTLI-UHFFFAOYSA-N;131.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186580;MM186580;Nn1oc(CF)nc1=O;QVWHEVRPRVFJIK-UHFFFAOYSA-N;133.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186581;MM186581;C#CC(=N)N(O)C(=N)CF;TXAHRNWIEPFUCW-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186582;MM186582;NC=NOC(=O)C#CCO;HVDAMNHINNSEGC-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186583;MM186583;CON=CN(N)C(=O)CO;PSCWYOCFUXRBPA-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186584;MM186584;CCn1nc(O)c(=O)[nH]1;VHIXGIUHEJQPPM-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186585;MM186585;N#CC(=NO)OC1CC1;QVMSCWIFJSZMCB-UHFFFAOYSA-N;126.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186586;MM186586;Nc1coc(F)c1O;FDOKSZRMEITUFT-UHFFFAOYSA-N;117.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186587;MM186587;CNc1nc(=N)n(C)o1;LBQUBKJLRMDQMS-UHFFFAOYSA-N;128.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186588;MM186588;CNc1nc(=O)n(C)o1;ILMKYZZUZDPRPG-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186589;MM186589;CNc1nc(=N)n(N)o1;IIHGDNGCWGFYIS-UHFFFAOYSA-N;129.12;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186590;MM186590;N=CN=CN(N)C(=O)CO;IWFFZNRJSQSKGE-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186591;MM186591;CNc1nc(=N)n(O)o1;NXVOXOBNBKCGJX-UHFFFAOYSA-N;130.11;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186592;MM186592;O=c1oc(F)c(C=NO)o1;OWVOJTQCERVZPE-UHFFFAOYSA-N;147.06;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186593;MM186593;COc1nc(=O)n(C)o1;OWNDWNFVPYPUIA-UHFFFAOYSA-N;130.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186594;MM186594;COc1nc(=N)n(N)o1;XJMSCHSIADIJLY-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186595;MM186595;COc1nc(=O)n(N)o1;LGHMMJOOKODEOY-UHFFFAOYSA-N;131.09;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186596;MM186596;NN(C=NC=O)C(=O)CO;RUVZRKSATWPKIV-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186597;MM186597;C=CC1=CC(=C)C(C)C1;FGMIYAZFLSSXCD-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186598;MM186598;C=C1C=C(C=O)CC1C;MDVUZLHVXMHVNZ-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186599;MM186599;C=C1C=C(C#N)CC1C;IXZNWXNAAVMXOP-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186600;MM186600;C=CC1=CC(=O)C(C)C1;JHFMUTBCCHMTMU-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186601;MM186601;CC1CC(C=O)=CC1=O;HJJRIIQAOYTFPF-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186602;MM186602;CC1CC(C#N)=CC1=O;HLQWXFQIZYNJDH-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186603;MM186603;C=CC1=CC(=C)C(N)C1;AUJBQDUDEGTRIG-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186604;MM186604;CCC(C)CCNNC=O;IRUMQOYMVDUZLP-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186605;MM186605;C=C1C=C(C=O)CC1O;PKTRNROJGWDGIG-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186606;MM186606;C=C1C=C(C#N)CC1O;ANWMXDBSCHOSIC-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186607;MM186607;C=CC1=CC(=O)C(O)C1;WBOLYDFNEJKYJA-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186608;MM186608;O=CC1=CC(=O)C(O)C1;CMZPHBWUZLRBJU-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186609;MM186609;N#CC1=CC(=O)C(O)C1;HFNQMYQHHAPOBA-UHFFFAOYSA-N;123.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186610;MM186610;C=CC1=CC(=C)C(F)C1;DZKFQORBGUCVMB-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186611;MM186611;C=C1C=C(C=O)CC1F;FKHDESLOHGLJCW-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186612;MM186612;C=C1C=C(C#N)CC1F;XYTMTSUPHOGRCQ-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186613;MM186613;C=CC1=CC(=O)C(F)C1;WCFSPFQBFJPAGB-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186614;MM186614;O=CC1=CC(=O)C(F)C1;SKRQYUQNPHOEHZ-UHFFFAOYSA-N;128.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186615;MM186615;N#CC1=CC(=O)C(F)C1;WCFOWXLAHDJCOM-UHFFFAOYSA-N;125.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186616;MM186616;C=Cc1cc(O)c(C)[nH]1;BXRMWOYOLZKGDR-UHFFFAOYSA-N;123.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186617;MM186617;N=Cn1oc(=N)n(O)c1=O;QVLBHBJYDBHHQE-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186618;MM186618;Cc1[nH]c(C#N)cc1O;AHSIYXPGEFIVPQ-UHFFFAOYSA-N;122.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186619;MM186619;CCCCCCC(=O)NN;FAWGDZUNQZJISX-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186620;MM186620;CC=C(NC=O)N(N)C=O;TWUOXPBXMGODHR-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186621;MM186621;CNN=C(CO)NNC=O;DMHIOGPNLKRKNL-UHFFFAOYSA-N;146.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186622;MM186622;C=COC(=NO)C(O)C=O;UNSFHBTVUCBJMH-UHFFFAOYSA-N;145.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186623;MM186623;C=CC1=CC(=C)C(C)O1;DWDJVRDTWCVWQB-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186624;MM186624;C=C1C=C(C=O)OC1C;UIAJSQYEYBUWRF-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186625;MM186625;C=C1C=C(C#N)OC1C;BELVSRNUGUNDAG-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186626;MM186626;C=CC1=CC(=N)N(C)C1;GZYPSXAYEISDBP-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186627;MM186627;CN1CC(C=O)=CC1=N;KUJCBFAUIBQGAB-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186628;MM186628;CN1CC(C#N)=CC1=N;WCNDCNLVMVTMMW-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186629;MM186629;C=CC1=CC(=O)N(C)C1;HMILLEPAEHYTCM-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186630;MM186630;CCc1nc(O)n(O)n1;CKCJUPHRNBCSOR-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186631;MM186631;NC(=O)OCC(CO)=NO;JXDXKYAPAWSTBA-UHFFFAOYSA-N;148.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186632;MM186632;C=CC1=CC(=N)N(N)C1;AADCXTOHJGCAFB-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186633;MM186633;C=CC1=CC(=O)N(N)C1;IKIRWCJYGYMTKB-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186634;MM186634;C=CC1=CC(=O)N(O)C1;XOTHHPCOSTXRNB-UHFFFAOYSA-N;125.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186635;MM186635;OCC#CCC(CF)=NO;YCGYEOVBGYOTJS-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186636;MM186636;Cc1[nH]c(=NO)oc1O;FJRJDBIMOUXPPO-UHFFFAOYSA-N;130.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186637;MM186637;Nn1nc(O)cc1O;QDSNXMWTZGDYRD-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186638;MM186638;C#Cc1cc(=O)n(N)[nH]1;MKULFWIZVBGBHY-UHFFFAOYSA-N;123.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186639;MM186639;N=c1nc(O)c(=N)n(N)o1;PZRLHFSSBAXCJG-UHFFFAOYSA-N;143.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186640;MM186640;C=NN=c1o[nH]c(=N)o1;GQTPCGHDVIYPIA-UHFFFAOYSA-N;128.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186641;MM186641;CC=NN=c1o[nH]c(=N)o1;COTFJLVZZPRCLQ-UHFFFAOYSA-N;142.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186642;MM186642;N=c1cc(N)nc(O)n1O;CXWNLZCKSXGUCS-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186643;MM186643;C=Cc1nc(=O)n(C)[nH]1;BQRKUANVDYSSSX-UHFFFAOYSA-N;125.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186644;MM186644;O=Cn1oc(=O)c(=O)n1O;XETBKUPWZWXGPU-UHFFFAOYSA-N;146.06;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186645;MM186645;O=c1oc(=NO)cnn1O;AECRVVVHZNHLMG-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186646;MM186646;COc1cnn(O)c(=O)n1;YHQNXLWWNSZYKG-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186647;MM186647;Nc1c(F)n(O)c(=O)n1O;QTSGEJNNPBKXNZ-UHFFFAOYSA-N;149.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186648;MM186648;O=c1cc[nH]n1O;UPGXIPJBTVTYMY-UHFFFAOYSA-N;100.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186649;MM186649;C=Cc1cc(=N)n(C)o1;HHLJYOVWGUYSHZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186650;MM186650;C=Cc1cc(=O)n(C)o1;JKHQPAVLVSJMDY-UHFFFAOYSA-N;125.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186651;MM186651;Cn1oc(C=O)cc1=O;MVQUIASFLSTXIP-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186652;MM186652;Cn1oc(C#N)cc1=O;NABLZRWVEKEPKR-UHFFFAOYSA-N;124.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186653;MM186653;C=Cc1cc(=O)n(N)o1;QVXALPPDHUYILU-UHFFFAOYSA-N;126.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186654;MM186654;Cn1cnn(O)c(=O)c1=O;CLCCPACFXPIEKH-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186655;MM186655;Cc1c(O)c(F)n(O)c1F;GSBQEXIDXNSOOQ-UHFFFAOYSA-N;149.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186656;MM186656;Cc1on(O)c(=O)c1O;AQYADZPMDVTRAV-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186657;MM186657;Cn1oc(C=O)nc1=N;SYIYORBUIQTEBL-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186658;MM186658;Cn1oc(C#N)nc1=N;WGTYILQRRCWGGR-UHFFFAOYSA-N;124.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186659;MM186659;C=Cc1nc(=O)n(C)o1;PLPBHOJNHVGRSV-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186660;MM186660;Cn1oc(C=O)nc1=O;WQAGUUHQSJWYPZ-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186661;MM186661;Cn1oc(C#N)nc1=O;IOWXRMIBISYLAC-UHFFFAOYSA-N;125.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186662;MM186662;C=Cc1nc(=O)n(N)o1;CLCNAWXCZWFVNI-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186663;MM186663;CN=c1oc(F)c(N)n1O;YEJVPSJRGIKNQL-UHFFFAOYSA-N;147.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186664;MM186664;CCC(CC)CNNC=O;UEGNROLNBCALQB-UHFFFAOYSA-N;144.22;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186665;MM186665;Cn1on(O)c(=O)c1=O;IYRSYPCHUZHINU-UHFFFAOYSA-N;132.08;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186666;MM186666;N#CC(=N)NC=O;KPUUAGICPAOVPH-UHFFFAOYSA-N;97.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186667;MM186667;Nn1nn[nH]c1=O;YBABYHZRRNCXLV-UHFFFAOYSA-N;101.07;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186668;MM186668;C#CC1=CC(=C)C(C)C1;HDQRCCJGWKJQCK-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186669;MM186669;C#CC1=CC(=O)C(C)C1;REKXVISNACYHGH-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186670;MM186670;C#CC1=CC(=C)C(N)C1;IYPLQZRRYMWQFD-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186671;MM186671;C#CC(CF)C(O)C=NN;GDJYSMJEOMDGKS-UHFFFAOYSA-N;144.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186672;MM186672;C#CC1=CC(=O)C(O)C1;RLYAQOQOAAMVEO-UHFFFAOYSA-N;122.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186673;MM186673;C#CC1=CC(=C)C(F)C1;YFRJAIQQXGZYTN-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186674;MM186674;C#CC1=CC(=O)C(F)C1;NUUMWNMBEMJXKE-UHFFFAOYSA-N;124.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186675;MM186675;C#Cc1cc(O)c(C)[nH]1;QWLMWBPSNVVJBH-UHFFFAOYSA-N;121.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186676;MM186676;C#CC(=NN)C(O)CCO;IUBBIKFNTOGHQW-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186677;MM186677;C#CC1=NC(C)C(=O)N1;CBGWVDDCVMQHPI-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186678;MM186678;C#CC1=CC(=C)C(C)O1;FSSUSUVJNFOORA-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186679;MM186679;C#CC1=CC(=N)N(C)C1;JIIBZWQATHHJDN-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186680;MM186680;C#CC1=CC(=O)N(C)C1;ZAHSLZRCFZKUCD-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186681;MM186681;C#CC1=CC(=N)N(N)C1;SMLHFIVMXCDMOF-UHFFFAOYSA-N;121.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186682;MM186682;C#CC1=CC(=O)N(N)C1;POVYLZUGONNHCU-UHFFFAOYSA-N;122.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186683;MM186683;CC(F)=CCC(C#N)=NO;SUXWJGSXRDECHP-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186684;MM186684;CC(C)(CO)C(C#N)=NO;AMLBBWRFIQMYRO-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186685;MM186685;NN=c1cnn(O)c(=O)o1;KMYHCBBBVSGUGM-UHFFFAOYSA-N;144.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186686;MM186686;N=c1c(=O)n(O)nnn1N;YICAGGSJASZANI-UHFFFAOYSA-N;144.09;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186687;MM186687;C#Cc1cc(=N)n(C)o1;KYXYHOWKERVURV-UHFFFAOYSA-N;122.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186688;MM186688;C#Cc1cc(=O)n(C)o1;IJBKPRZHFXLVRX-UHFFFAOYSA-N;123.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186689;MM186689;C#Cc1cc(=O)n(N)o1;VBSFQNWMLOJOHB-UHFFFAOYSA-N;124.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186690;MM186690;N=c1nc(F)c(=O)n(O)o1;OWCPCCYMDBXDIF-UHFFFAOYSA-N;147.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186691;MM186691;C#Cc1nc(=O)n(C)o1;DRPSWEOEQVCALY-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186692;MM186692;C#Cc1nc(=N)n(N)o1;OYTQEAWWJARHGN-UHFFFAOYSA-N;124.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186693;MM186693;C#Cc1nc(=O)n(N)o1;YUIABFLOLKTIRH-UHFFFAOYSA-N;125.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186694;MM186694;CC=C(CO)C(O)C=NN;FADFYHJXVWSFCV-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186695;MM186695;Cn1cnoc(=O)[nH]cn1;YWMBWEMKPVLTFK-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186696;MM186696;C=C1CC(CC)=CC1C;PDHPVVFBAPWOKY-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186697;MM186697;C=C1CC(CN)=CC1C;NZWDDJJRVWVQMG-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186698;MM186698;COc1cc(C=NN)c[nH]1;TWVFRHCIUXYAOS-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186699;MM186699;C=C1CC(CF)=CC1C;WFAMCJLTNKRAOX-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186700;MM186700;C=C1CC(CC)=CC1N;GPQUBUUAHURNLJ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186701;MM186701;C=C1CC(CN)=CC1N;UUDXNYFHGWNWIJ-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186702;MM186702;C=C1CC(CO)=CC1N;PFMNZYWCSHWMQK-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186703;MM186703;C=C1CC(CF)=CC1N;ZYMWXFRNBZWOKE-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186704;MM186704;CN=c1ncnc(C)n1O;YHUUUPGXLGSETC-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186705;MM186705;C=C1CC(CN)=CC1O;KCSVNGBSQUXREM-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186706;MM186706;C=C1CC(CO)=CC1O;SLZFZEBXXLOOHC-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186707;MM186707;C=C1CC(CF)=CC1O;KLHPUVKTOJERCS-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186708;MM186708;C=C1CC(CC)=CC1F;BTQLVOCJIUZUQX-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186709;MM186709;C=C1CC(CN)=CC1F;XFBTWFXEKZBBGG-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186710;MM186710;C=C1CC(CO)=CC1F;XORGBUCKVKTDKD-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186711;MM186711;C=C1CC(CF)=CC1F;HLUMAJOCUPKBQT-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186712;MM186712;CCC1=CC(C)C(=O)C1;FSTHEEPZJPHQQP-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186713;MM186713;CC1C=C(CO)CC1=O;ADPFMIXTDCINDG-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186714;MM186714;CC1C=C(CF)CC1=O;KNMLAITYOUGONL-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186715;MM186715;CCC1=CC(O)C(=O)C1;KJTHPPLRJDHPFA-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186716;MM186716;O=C1CC(CO)=CC1O;NTNLNRZWQVUPFC-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186717;MM186717;O=C1CC(CF)=CC1O;MTWSWXYUBBAONP-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186718;MM186718;CCC1=CC(F)C(=O)C1;WNSMHWCOSQLBEX-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186719;MM186719;O=C1CC(CF)=CC1F;RYPPQAXULIDLCJ-UHFFFAOYSA-N;132.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186720;MM186720;C=C1CC(OC)=CC1C;BQWGXCKAYHMGPD-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186721;MM186721;C=C1CC(OC)=CC1N;JHQUWESHDALVRB-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186722;MM186722;C=C1CC(OC)=CC1O;KSSHGGMGYARWOQ-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186723;MM186723;C=C1CC(OC)=CC1F;XNEMQPSPXVSBOG-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186724;MM186724;COC1=CC(C)C(=O)C1;CEIUTOBFZUOBDR-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186725;MM186725;COC1=CC(O)C(=O)C1;VSOZMUSOSOUIIB-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186726;MM186726;CCC1=CC(C)C(=N)N1;DKETUOITLZYBRH-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186727;MM186727;CC1C=C(CN)NC1=N;YRUVMMNYUUZICJ-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186728;MM186728;CC1C=C(CO)NC1=N;RFURQONZTNHKET-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186729;MM186729;CC1C=C(CF)NC1=N;HSHPYYGXPZOHDY-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186730;MM186730;CCC1=CC(N)C(=N)N1;REXHEDZTVHDRAD-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186731;MM186731;N=C1NC(CN)=CC1N;RPBASKDAINPFDX-UHFFFAOYSA-N;126.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186732;MM186732;N=C1NC(CO)=CC1N;RIEFSNLDGGCEMR-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186733;MM186733;N=C1NC(CF)=CC1N;QIXQMDYJOFJMFU-UHFFFAOYSA-N;129.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186734;MM186734;CCC1=CC(O)C(=N)N1;YVPBDAUBMLNNTL-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186735;MM186735;N=C1NC(CN)=CC1O;PVKFAXMVPGXRLH-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186736;MM186736;N=C1NC(CO)=CC1O;AJTJCSDDKGNATB-UHFFFAOYSA-N;128.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186737;MM186737;N=C1NC(CF)=CC1O;YHOMWKPSDZTAIS-UHFFFAOYSA-N;130.12;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186738;MM186738;C#Cc1[nH]nc(NC)c1F;OEXOIYSISHEFBW-UHFFFAOYSA-N;139.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186739;MM186739;CON=c1c(C)con1O;LOSNPNWTGJDPNK-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186740;MM186740;CCC1=CC(C)C(=O)N1;SQFIFEHGBSNQMY-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186741;MM186741;CC1C=C(CN)NC1=O;ONPUHDKVOPGWEV-UHFFFAOYSA-N;126.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186742;MM186742;CC1C=C(CO)NC1=O;NRASUPNUYJELPN-UHFFFAOYSA-N;127.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186743;MM186743;CC1C=C(CF)NC1=O;ZYYKYGNXUKZYGK-UHFFFAOYSA-N;129.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186744;MM186744;NCC1=CC(N)C(=O)N1;CSVVMNASQZKUSS-UHFFFAOYSA-N;127.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186745;MM186745;CCC1=CC(O)C(=O)N1;PRWOPYVOAUHBLU-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186746;MM186746;O=C1NC(CO)=CC1O;GLGHEJJWCXTFGU-UHFFFAOYSA-N;129.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186747;MM186747;O=C1NC(CF)=CC1O;KVGSAHKBBMHKHY-UHFFFAOYSA-N;131.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186748;MM186748;COC1=CC(C)C(=N)N1;URTDYKPMQFBOOT-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186749;MM186749;COC1=CC(N)C(=N)N1;PEZZURGUSSLPKX-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186750;MM186750;C=NN=c1c(C)con1O;HJNXRNVFAONMRL-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186751;MM186751;COC1=CC(C)C(=O)N1;YQUMFOIPMNNYRU-UHFFFAOYSA-N;127.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186752;MM186752;COC1=CC(O)C(=O)N1;CZNZXUBAWDPQIE-UHFFFAOYSA-N;129.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186753;MM186753;C=C1N=C(CC)NC1C;SLUDEAOELDTEKZ-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186754;MM186754;C=C1NC(CN)=NC1C;LCQISKMXZPHGLQ-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186755;MM186755;C=C1NC(CF)=NC1C;RACHLGDXFJGMAK-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186756;MM186756;C=C1NC(NC)=NC1C;LMGVTRPZGVPHTP-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186757;MM186757;C=C1NC(NN)=NC1C;WCWLVUOGSYRSHW-UHFFFAOYSA-N;126.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186758;MM186758;C=C1NC(NO)=NC1C;DDUZQTMYBJBPBW-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186759;MM186759;CNC1=NC(C)C(=N)N1;HNJIBIUBFAZNSD-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186760;MM186760;CC1N=C(NN)NC1=N;JQLQEDHCIFQCOE-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186761;MM186761;CCCCCCNNC=O;OXOSCXSVGNPWJB-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186762;MM186762;C=NOCCCC#CCO;NGXKCNHAIIUZGG-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186763;MM186763;CC1N=C(NO)NC1=O;PDFCLCDMDOOKBI-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186764;MM186764;C=C1NC(OC)=NC1C;CJIZZQJSGDPSDS-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186765;MM186765;CON=CCCC#CCO;AIYQPSHREFUBPF-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186766;MM186766;COC1=NC(C)C(=O)N1;VTGZSKUJPGKSOM-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186767;MM186767;C=C1OC(CC)=CC1C;RSQQHHWEGULJRN-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186768;MM186768;C=C1OC(CN)=CC1C;IGQSPIBUBMZETC-UHFFFAOYSA-N;125.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186769;MM186769;C=C1OC(CO)=CC1C;ABFCDINXNQTMGN-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186770;MM186770;C=C1OC(CF)=CC1C;MGQFGGXKWCRONE-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186771;MM186771;C=C1OC(CC)=CC1N;OVIKUEWYPQAMCQ-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186772;MM186772;C=C1OC(CN)=CC1N;UHFYIJPPEQDBPJ-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186773;MM186773;C=C1OC(CF)=CC1N;NHCWKNGGTQCRKN-UHFFFAOYSA-N;129.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186774;MM186774;C=C1OC(CC)=CC1O;RJKIMGLYHOIKTI-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186775;MM186775;C=C1OC(CN)=CC1O;HBNOZHGLEZYZGF-UHFFFAOYSA-N;127.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186776;MM186776;C=C1OC(CO)=CC1O;UHNUWZKNLRXCDB-UHFFFAOYSA-N;128.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186777;MM186777;C=C1OC(CF)=CC1O;AHXCAOAGSDXWMA-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186778;MM186778;C=C1OC(CC)=CC1F;LSZYKTZWSBJFLW-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186779;MM186779;C=C1OC(CN)=CC1F;DZVKOAAPQXAPOP-UHFFFAOYSA-N;129.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186780;MM186780;C=C1OC(CO)=CC1F;ZBUHADJFSIKDEM-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186781;MM186781;CCC1=CC(C)C(=O)O1;ZULSDHFALACFKT-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186782;MM186782;CC1C=C(CN)OC1=O;YVUKRQDZTIZXLF-UHFFFAOYSA-N;127.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186783;MM186783;CC1C=C(CO)OC1=O;OGVQEKUHFRHCDT-UHFFFAOYSA-N;128.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186784;MM186784;CC1C=C(CF)OC1=O;AGEJHQHKRLZXST-UHFFFAOYSA-N;130.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186785;MM186785;NCC1=CC(N)C(=O)O1;VSGAKMVIHYMHDT-UHFFFAOYSA-N;128.13;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186786;MM186786;CCC1=CC(O)C(=O)O1;POWXIPUUQKYGLF-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186787;MM186787;O=C1OC(CO)=CC1O;ZQOMGLYVXGFPOC-UHFFFAOYSA-N;130.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186788;MM186788;O=C1OC(CF)=CC1O;AWRUCBJTUDPUON-UHFFFAOYSA-N;132.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186789;MM186789;N#CC1(CO)OC1C1CN1;HNDNSADSHDCIDN-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186790;MM186790;C=NOCC(O)CO;UUZQHPHEKKYPDF-UHFFFAOYSA-N;119.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186791;MM186791;CCC1=CN(C)C(=N)C1;PNYKKONFLORKSC-UHFFFAOYSA-N;124.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186792;MM186792;CN1C=C(CN)CC1=N;NAWRPLNBGXJELG-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186793;MM186793;CN1C=C(CO)CC1=N;IOQLFELJAUKYOK-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186794;MM186794;CN1C=C(CF)CC1=N;GDUAVPYRDUJSPB-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186795;MM186795;CCC1=CN(N)C(=N)C1;AFWDSURLSWPTCU-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186796;MM186796;N=C1CC(CO)=CN1N;WXTIXTYHMMHNPG-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186797;MM186797;N=C1CC(CF)=CN1N;NRDGTBXNMAHGHJ-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186798;MM186798;CCC1=CN(O)C(=N)C1;PXMLIPSSLGQLEH-UHFFFAOYSA-N;126.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186799;MM186799;N=C1CC(CN)=CN1O;YRVNCHUHXLMEOA-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186800;MM186800;N=C1CC(CO)=CN1O;LUBJZQPPICRAPH-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186801;MM186801;CCC1=CN(C)C(=O)C1;QFISJEDDKVTLDG-UHFFFAOYSA-N;125.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186802;MM186802;CN1C=C(CN)CC1=O;VELHOPREOLPZNR-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186803;MM186803;CN1C=C(CO)CC1=O;IAVNXEYNUSRCKO-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186804;MM186804;CN1C=C(CF)CC1=O;BEAHIJUQYGYQFJ-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186805;MM186805;CCC1=CN(N)C(=O)C1;ZKNAANUJKUNWHN-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186806;MM186806;NN1C=C(CO)CC1=O;RPYDYOZZHWJHJK-UHFFFAOYSA-N;128.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186807;MM186807;NN1C=C(CF)CC1=O;LTHQDDGTVXPCGX-UHFFFAOYSA-N;130.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186808;MM186808;CCC1=CN(O)C(=O)C1;XRJOFUBSHJESNT-UHFFFAOYSA-N;127.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186809;MM186809;O=C1CC(CO)=CN1O;APXTYNWSPMAHJA-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186810;MM186810;COC1=CN(C)C(=N)C1;KJRBJLITRNXPJG-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186811;MM186811;COC1=CN(C)C(=O)C1;CATPHJQFFHUQND-UHFFFAOYSA-N;127.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186812;MM186812;COC1=CN(N)C(=O)C1;CEANTMYIVDLEAB-UHFFFAOYSA-N;128.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186813;MM186813;C#CC(F)(C=NN)CO;ZZXBBHWNYVFNNO-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186814;MM186814;CC=NOCC(O)CO;UKTBURZBYGIFIW-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186815;MM186815;C=C(CO)C(O)C=NN;WTZDDNJAOMTBAD-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186816;MM186816;CN1N=C(CN)CC1=O;WHYARFURQHZIJX-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186817;MM186817;CN1N=C(CO)CC1=O;HLXQTACFGUGUMH-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186818;MM186818;CN1N=C(CF)CC1=O;MDLZRCIUQBRCJT-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186819;MM186819;CC=CN(N)C(=O)CO;DSGWDUOJABZKPL-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186820;MM186820;COC1=NN(C)C(=O)C1;AFNCHXQLZBSGGD-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186821;MM186821;CCc1cn(C)c(=N)[nH]1;VOUUUJLGKIVVSA-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186822;MM186822;Cn1cc(CN)[nH]c1=N;KXGMNUUCGWGHFC-UHFFFAOYSA-N;126.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186823;MM186823;Cn1cc(CO)[nH]c1=N;LTTVQLGJVLTBAE-UHFFFAOYSA-N;127.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186824;MM186824;Cn1cc(CF)[nH]c1=N;PZAUONCKFDCDIP-UHFFFAOYSA-N;129.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186825;MM186825;CCc1cn(N)c(=N)[nH]1;PMIOCMGGLCLUGX-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186826;MM186826;N=c1[nH]c(CO)cn1N;YKZNQWIJGOLTGI-UHFFFAOYSA-N;128.14;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186827;MM186827;N=c1[nH]c(CF)cn1N;GPBZCIPNPOPJTP-UHFFFAOYSA-N;130.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186828;MM186828;CCc1cn(O)c(=N)[nH]1;HLJMXLOBYLCWNB-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186829;MM186829;N=c1[nH]c(CN)cn1O;NMSOPBXVGOOWOL-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186830;MM186830;N=c1[nH]c(CO)cn1O;CJGZYWKFQVSTAZ-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186831;MM186831;N=c1[nH]c(CF)cn1O;BHZDILGNBAZTMP-UHFFFAOYSA-N;131.11;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186832;MM186832;CCc1cn(C)c(=O)[nH]1;NAPHLKNOAXOEEK-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186833;MM186833;Cn1cc(CO)[nH]c1=O;NUOTUWXUYVGTBL-UHFFFAOYSA-N;128.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186834;MM186834;Cn1cc(CF)[nH]c1=O;HFYKWBXXTDNYBN-UHFFFAOYSA-N;130.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186835;MM186835;CCc1cn(N)c(=O)[nH]1;VEUXPBHCBCPTJX-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186836;MM186836;Nn1cc(CO)[nH]c1=O;QVKXFQHWEAWSHE-UHFFFAOYSA-N;129.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186837;MM186837;Nn1cc(CF)[nH]c1=O;LKBYVQVUPBCVCZ-UHFFFAOYSA-N;131.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186838;MM186838;CNc1cn(C)c(=N)[nH]1;HYKMYDDKSAATHD-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186839;MM186839;CNc1cn(N)c(=N)[nH]1;CKXMUGMIXOHOES-UHFFFAOYSA-N;127.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186840;MM186840;CNc1cn(O)c(=N)[nH]1;OKHWEUJZTWQRFV-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186841;MM186841;CNc1cn(C)c(=O)[nH]1;DXPMSNQXLRLFJN-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186842;MM186842;CNc1cn(N)c(=O)[nH]1;SKJHFGHOTXVZOG-UHFFFAOYSA-N;128.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186843;MM186843;COc1cn(C)c(=N)[nH]1;HPFFKYHIBSTMCN-UHFFFAOYSA-N;127.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186844;MM186844;COc1cn(N)c(=N)[nH]1;KJDMUOISAOBMEH-UHFFFAOYSA-N;128.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186845;MM186845;COc1cn(O)c(=N)[nH]1;AXVACWJNGVIDRU-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186846;MM186846;COc1cn(C)c(=O)[nH]1;WTKAPDFRMUXIHS-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186847;MM186847;COc1cn(N)c(=O)[nH]1;SFASVLCZOYPCTD-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186848;MM186848;CNc1nn(C)c(=N)[nH]1;DGUAZAUYUVDKNA-UHFFFAOYSA-N;127.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186849;MM186849;CNc1nn(N)c(=N)[nH]1;LJIBMZVLGSWSCJ-UHFFFAOYSA-N;128.14;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186850;MM186850;CNc1nn(O)c(=N)[nH]1;GXKDGJQATYTNNX-UHFFFAOYSA-N;129.12;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186851;MM186851;Nc1nc(=O)n(O)nc1N;BPQTUDYFZBORLO-UHFFFAOYSA-N;143.11;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186852;MM186852;N=C(NC=O)C(F)C=NO;FGZODHDRFNHBHF-UHFFFAOYSA-N;147.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186853;MM186853;Nn1ccc(=O)n(O)c1=O;DEMPCCODECRPCL-UHFFFAOYSA-N;143.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186854;MM186854;CCc1cn(C)c(=N)o1;ZEUMLUVNHAYYLA-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186855;MM186855;Cn1cc(CN)oc1=N;LFEFQSBAWJUEMC-UHFFFAOYSA-N;127.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186856;MM186856;Cn1cc(CO)oc1=N;YSSREDSSDXTPOO-UHFFFAOYSA-N;128.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186857;MM186857;Cn1cc(CF)oc1=N;UNPFOHMUJDEPMK-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186858;MM186858;NN(C=CF)C(=O)CO;IZNQIXNGCZGSRB-UHFFFAOYSA-N;134.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186859;MM186859;C=CC1(O)CC1ON=C;QIDZYNDISMMVBV-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186860;MM186860;CC1=NN(C=N)CC1O;SDAWUYLZRUSUOA-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186861;MM186861;CCc1cn(C)c(=O)o1;SIFCYMWBDVMGJK-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186862;MM186862;Cn1cc(CO)oc1=O;XQKJXBUWFDTXKS-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186863;MM186863;Cn1cc(CF)oc1=O;QBTPJPKDWOIGAJ-UHFFFAOYSA-N;131.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186864;MM186864;CCc1cn(N)c(=O)o1;ULNYTRBXQKCVPA-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186865;MM186865;C#CC1=NCC(=N)N1O;CZYCZDYTNKBMSJ-UHFFFAOYSA-N;123.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186866;MM186866;Nn1cc(CF)oc1=O;INMXWMRPBANLCY-UHFFFAOYSA-N;132.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186867;MM186867;C=NNc1cc(O)[nH]n1;XUHCZLUKNFJHDS-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186868;MM186868;CN=c1n(N)oc(=O)n1O;ULYKUIWSOKBQFO-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186869;MM186869;Cn1c(F)cc(=N)nc1O;HLKDBQDBYSEZNN-UHFFFAOYSA-N;143.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186870;MM186870;CNc1cn(C)c(=N)o1;IWAZCMOUOBZROY-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186871;MM186871;CC1C2NC(=O)N(N)C12;VZAPTFYMGCDOAL-UHFFFAOYSA-N;127.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186872;MM186872;CNc1cn(C)c(=O)o1;ZPUDPWZHGVGPFQ-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186873;MM186873;C=CC(=C)NC(=O)N(C)N;UOTQZDVLLUTOPV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186874;MM186874;C=C(F)C(C=O)C(=O)C#N;OODNARNOHHFBLG-UHFFFAOYSA-N;141.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186875;MM186875;COc1cn(N)c(=N)o1;NWVCKRFAMPXKRD-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186876;MM186876;C#CC(O)CC(=O)C(=N)N;OSKPTXIVZSIVGU-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186877;MM186877;COc1cn(C)c(=O)o1;HVWAQTHPBSWFTD-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186878;MM186878;COc1cn(N)c(=O)o1;OKRDXGMBGGXWBC-UHFFFAOYSA-N;130.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186879;MM186879;O=c1ocnn1O;QHNBRXVMNZTMFF-UHFFFAOYSA-N;102.05;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186880;MM186880;CCc1nn(C)c(=N)o1;LYPQIXIIKRPEOI-UHFFFAOYSA-N;127.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186881;MM186881;NC(=O)N=CN(N)C(N)=O;KYORWXFNSBNSLE-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186882;MM186882;Cn1nc(CF)oc1=N;NWKPTBXSZWFNDZ-UHFFFAOYSA-N;131.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186883;MM186883;CCc1nn(N)c(=N)o1;AQYMNWLTDKRXID-UHFFFAOYSA-N;128.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186884;MM186884;CC(C)=NOCC(O)CO;GHWQYAZIOMRQHE-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186885;MM186885;N=c1oc(CF)nn1N;BADUZLVPZAOICO-UHFFFAOYSA-N;132.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186886;MM186886;COC(=O)NN(C)C=NN;CLEVATWVERMGTM-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186887;MM186887;NN(C=C(F)F)C(=O)CO;UKLKWXMEKUTMRF-UHFFFAOYSA-N;152.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186888;MM186888;NC(=O)ON=CNC=CF;PNXZJTPZDNAKDS-UHFFFAOYSA-N;147.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186889;MM186889;C=NNCC1C(O)C1(C)F;QFIRHKDAOXJGMI-UHFFFAOYSA-N;146.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186890;MM186890;CCc1nn(C)c(=O)o1;VIPGMSCSZQMCFQ-UHFFFAOYSA-N;128.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186891;MM186891;Cn1nc(CO)oc1=O;IAXUZHNOLCBTSG-UHFFFAOYSA-N;130.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186892;MM186892;Cn1nc(CF)oc1=O;LZTXHAIKCSQCPS-UHFFFAOYSA-N;132.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186893;MM186893;CCc1nn(N)c(=O)o1;ILJBFAYXFYAJKM-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186894;MM186894;Nn1nc(CO)oc1=O;OFDMQQAOIJGJMD-UHFFFAOYSA-N;131.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186895;MM186895;Nn1nc(CF)oc1=O;ZMFZTIXDWHHVAQ-UHFFFAOYSA-N;133.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186896;MM186896;N#Cc1nc(=O)n(O)o1;CDBDGBDCGWINTM-UHFFFAOYSA-N;127.06;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186897;MM186897;O=c1ncc(F)nn1O;WXUHCWKFEHVYBX-UHFFFAOYSA-N;131.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186898;MM186898;Cn1nc(C#N)n(O)c1=O;XYQDLBDEXZIUMT-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186899;MM186899;C=NN=C(C)N(C)NC=O;WATMGRYYJFIAPN-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186900;MM186900;CC(O)c1nn(N)c(=N)o1;GWXFGZSQDIZYPP-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186901;MM186901;C#CC(CO)(CO)ON=C;OJYJVZLLPCLLAA-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186902;MM186902;C=CC(=C)N(N)C(=O)CO;SJPSXKBDOWKNLE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186903;MM186903;CC(=CF)N(N)C(=O)CO;WBPDNOWJYXJZNQ-UHFFFAOYSA-N;148.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186904;MM186904;Cc1c(C#N)oc(=O)n1O;ITDQKVMHUBZOIQ-UHFFFAOYSA-N;140.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186905;MM186905;COc1nn(C)c(=N)o1;NJKYGULYGUAJLJ-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186906;MM186906;COc1nn(N)c(=N)o1;GKKXBLVYZMGMRU-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186907;MM186907;C#CC(=N)N(O)C(C)=NN;RDLIBZYIJAPHRK-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186908;MM186908;COc1nn(C)c(=O)o1;VKPBSYCXLIMEIM-UHFFFAOYSA-N;130.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186909;MM186909;COc1nn(N)c(=O)o1;GJWOMNAVFKTVTP-UHFFFAOYSA-N;131.09;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186910;MM186910;O=C1C=CC(=CO)NC1=O;HIXOUYNIVDDNNJ-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186911;MM186911;C=CC1=CC(C)C(=C)C1;HWOASUYMVMKGQA-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186912;MM186912;C=C1CC(C=O)=CC1C;PWRWVRIIYCTILT-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186913;MM186913;C=C1CC(C#N)=CC1C;JRTKWZAOWCOVPE-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186914;MM186914;C=CC1=CC(N)C(=C)C1;CBHQFAMDZJKKNB-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186915;MM186915;C=CC(O)C(=C)OC=NN;SCIXPPZXSUWSBG-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186916;MM186916;C=C1CC(C=O)=CC1O;MKSZCBVMSDRDQU-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186917;MM186917;C=C1CC(C#N)=CC1O;PZTVKMTUTDYVEC-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186918;MM186918;C=CC1=CC(F)C(=C)C1;YOYMPOPGBYJGTG-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186919;MM186919;C=C1CC(C=O)=CC1F;FLQXLCHZEWEUFW-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186920;MM186920;C=C1CC(C#N)=CC1F;BGPXKUWAEGMXLB-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186921;MM186921;C=CC1=CC(C)C(=O)C1;IRTFSQZMCVUTLV-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186922;MM186922;CC1C=C(C=O)CC1=O;ZXDMVDDFFBPUHS-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186923;MM186923;CC1C=C(C#N)CC1=O;SLJVLYSKQVMKJG-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186924;MM186924;C=CC1=CC(O)C(=O)C1;KALQXQUVLOSWHL-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186925;MM186925;O=CC1=CC(O)C(=O)C1;UYGWGXSXUCKQTQ-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186926;MM186926;N#CC1=CC(O)C(=O)C1;SRUHMXCUWVEEPG-UHFFFAOYSA-N;123.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186927;MM186927;C=CC1=CC(F)C(=O)C1;HKXRTQZCIHEKCY-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186928;MM186928;O=CC1=CC(F)C(=O)C1;SEHCMMKQBOSBOE-UHFFFAOYSA-N;128.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186929;MM186929;N#CC1=CC(F)C(=O)C1;NTIQSDFGGGIUQG-UHFFFAOYSA-N;125.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186930;MM186930;C=CC1=CC(C)C(=N)N1;ABWXRGJPANULDQ-UHFFFAOYSA-N;122.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186931;MM186931;CC1C=C(C=O)N=C1N;QBOXJAAKZRLZIZ-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186932;MM186932;CC1C=C(C#N)NC1=N;VQAWHILCUXAULM-UHFFFAOYSA-N;121.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186933;MM186933;C=CC1=CC(N)C(=N)N1;VWCZQZRHQAOGRQ-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186934;MM186934;C=CC1=CC(O)C(=N)N1;OYEVMJYRUXKSPY-UHFFFAOYSA-N;124.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186935;MM186935;COC=CN(N)C(=O)CO;RLEKJSAPTYSVMB-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186936;MM186936;C#CC=CN(N)C(=O)CO;KPDGMKVZTGBRLO-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186937;MM186937;COC=NOCC(O)CO;XSPQWBOLKAOOIT-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186938;MM186938;C=CC1=CC(C)C(=O)N1;MJSYIDNCTCPYSU-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186939;MM186939;CC1C=C(C=O)NC1=O;QMFCUIVOBWRETK-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186940;MM186940;CC1C=C(C#N)NC1=O;YWOJUXQMPMWSGD-UHFFFAOYSA-N;122.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186941;MM186941;C=CC1=CC(O)C(=O)N1;BSTLVXMYYOBNLX-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186942;MM186942;O=CC1=CC(O)C(=O)N1;ZGPBYCIWEMEABH-UHFFFAOYSA-N;127.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186943;MM186943;N#CC1=CC(O)C(=O)N1;OACQUXAKVNAXLK-UHFFFAOYSA-N;124.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186944;MM186944;N#CC1=CC(F)C(=O)N1;BZDHXKDLXLGPIY-UHFFFAOYSA-N;126.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186945;MM186945;C=CC1=NC(C)C(=C)N1;UVRSNOOJCOGULU-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186946;MM186946;C=C1NC(C=O)=NC1C;ZRPCXBHEKGEACD-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186947;MM186947;C=C1NC(C#N)=NC1C;URNSYMHBXWXPBJ-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186948;MM186948;C=CC1=CC(C)C(=C)O1;WWQLSIZMCSZZHL-UHFFFAOYSA-N;122.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186949;MM186949;C=C1OC(C=O)=CC1C;KWWMJKZXOOQLNQ-UHFFFAOYSA-N;124.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186950;MM186950;C=C1OC(C#N)=CC1C;UMNALYFITNDKLC-UHFFFAOYSA-N;121.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186951;MM186951;C=CC1=CC(N)C(=C)O1;NOXUUMWIBRNSJQ-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186952;MM186952;C=CC1=CC(O)C(=C)O1;UDYJPXIAGGAPEQ-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186953;MM186953;C=C1OC(C=O)=CC1O;ABXLCNFXCZUVPE-UHFFFAOYSA-N;126.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186954;MM186954;C=C1OC(C#N)=CC1O;BKNLFWAPZUYIQG-UHFFFAOYSA-N;123.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186955;MM186955;C=CC1=CC(F)C(=C)O1;VOYDGEHKPNCVRL-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186956;MM186956;C=C1OC(C=O)=CC1F;CEQQBECBSYDCDK-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186957;MM186957;C=C1OC(C#N)=CC1F;YEMFMIWGVIVINN-UHFFFAOYSA-N;125.1;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186958;MM186958;C=CC1=CC(C)C(=O)O1;YYFAZWGLVDFEIK-UHFFFAOYSA-N;124.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186959;MM186959;CC1C=C(C=O)OC1=O;NJEIMJPYKXBCMX-UHFFFAOYSA-N;126.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186960;MM186960;CC1C=C(C#N)OC1=O;LUJZXFOSPJGTOE-UHFFFAOYSA-N;123.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186961;MM186961;C=CC1=CC(O)C(=O)O1;GVTWZJZEDYWURP-UHFFFAOYSA-N;126.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186962;MM186962;O=CC1=CC(O)C(=O)O1;HIOIDUNVOSBZHM-UHFFFAOYSA-N;128.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186963;MM186963;N#CC1=CC(O)C(=O)O1;QMJNMYLSYHBSNZ-UHFFFAOYSA-N;125.08;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186964;MM186964;C=CC1=CN(C)C(=N)C1;QMJNJNQZEGQGFB-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186965;MM186965;CN1C=C(C=O)CC1=N;LOCCCOWBYLEHFZ-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186966;MM186966;CN1C=C(C#N)CC1=N;DESHZAVUNBLJBE-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186967;MM186967;C=CC1=CN(N)C(=N)C1;JYBBCZHYVZXSRJ-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186968;MM186968;C=CC1=CN(O)C(=N)C1;DVUSMAJHHKFKAL-UHFFFAOYSA-N;124.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186969;MM186969;C=CC1=CN(C)C(=O)C1;AJAKLKYXZHAVEJ-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186970;MM186970;CN1C=C(C=O)CC1=O;FKNZNYIFROZCQL-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186971;MM186971;CN1C=C(C#N)CC1=O;JJEIDSNXGVVBCR-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186972;MM186972;C=CC1=CN(N)C(=O)C1;PPFJLSJDPHCWMQ-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186973;MM186973;C=CC1=CN(O)C(=O)C1;UDXGYFQETDBTLX-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186974;MM186974;C#CC=NOCC(O)CO;HIEQPRWIEQHZPG-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186975;MM186975;N=c1n(N)c(=O)n(N)n1O;WCAUTGGSKWFQJT-UHFFFAOYSA-N;146.11;-3.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186976;MM186976;Cc1nn(C=O)n(O)c1=N;LETXCJVLDOUMRI-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186977;MM186977;NN=c1oc(N)c(N)n1O;XPXBHAVVQCSPQW-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186978;MM186978;CN1N=C(C=O)CC1=O;BQGDXYQVQIMATR-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186979;MM186979;CN1N=C(C#N)CC1=O;JQUVWCANVXDVSX-UHFFFAOYSA-N;123.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186980;MM186980;C=Cc1cn(C)c(=N)[nH]1;KGSAFZMSMZKUMI-UHFFFAOYSA-N;123.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186981;MM186981;Cn1cc(C=O)[nH]c1=N;QHKDSPQHKOSEFM-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186982;MM186982;C=Cc1cn(N)c(=N)[nH]1;CCCCQXPYFSHTAT-UHFFFAOYSA-N;124.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186983;MM186983;C=Cc1cn(O)c(=N)[nH]1;LTODYVJHJQMZJY-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186984;MM186984;N#Cc1cn(O)c(=N)[nH]1;INACEBDWKVCIAC-UHFFFAOYSA-N;124.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186985;MM186985;C=Cc1cn(C)c(=O)[nH]1;XHRKSYFWZNHDFO-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186986;MM186986;Cn1cc(C=O)[nH]c1=O;NLFBHFPLOSUOBS-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186987;MM186987;Cn1cc(C#N)[nH]c1=O;GSFHWVHDUBXPNH-UHFFFAOYSA-N;123.12;-0.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186988;MM186988;C=Cc1cn(N)c(=O)[nH]1;CYQGIYQGIXGRNU-UHFFFAOYSA-N;125.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186989;MM186989;Cc1nc(=O)[nH]c(=O)n1O;XRTZZRMJRVZHMA-UHFFFAOYSA-N;143.1;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186990;MM186990;C=Cc1cn(C)c(=N)o1;ZNUSAHOKGPOKBC-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186991;MM186991;Cc1c(N)c(=NN)on1O;MTYVGYOBLBXPNG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186992;MM186992;N=c1ncn(O)oc1=NN;DKLPYLSZWZWXFY-UHFFFAOYSA-N;143.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186993;MM186993;CN=CN(O)C(C#N)C=O;IZFDHJOKVNPBQY-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186994;MM186994;C=Cc1cn(C)c(=O)o1;JHCWIEWEZCLRLE-UHFFFAOYSA-N;125.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186995;MM186995;Cn1cc(C=O)oc1=O;ALCCOIGGQPNXRL-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186996;MM186996;Cn1cc(C#N)oc1=O;YNLVOCKJLQQXPE-UHFFFAOYSA-N;124.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186997;MM186997;C=Cc1cn(N)c(=O)o1;CYJNFQOMKKSDKY-UHFFFAOYSA-N;126.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186998;MM186998;O=c1cc(O)nnn1O;INKVJRXOPZYBFH-UHFFFAOYSA-N;129.08;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM186999;MM186999;O=c1nc(CF)ncn1O;PPPNRNNIUKETRF-UHFFFAOYSA-N;145.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187000;MM187000;O=c1c(O)con1O;CBVBQWLABUTFMJ-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187001;MM187001;C=Cc1nn(C)c(=N)o1;NWGJTEWBIVIELS-UHFFFAOYSA-N;125.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187002;MM187002;Cn1nc(C=O)oc1=N;VJTUMKLKLQWAGF-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187003;MM187003;Cn1nc(C#N)oc1=N;NAMTZTGOJQCIDH-UHFFFAOYSA-N;124.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187004;MM187004;C=Cc1nn(N)c(=N)o1;BVEJCPDWPOAXIN-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187005;MM187005;C#CCC(O)C(CO)=NN;XQEPELVINJFCEQ-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187006;MM187006;Cc1on(O)c(=NN)c1C;ADTUVFLMFVWQPV-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187007;MM187007;CN=c1c(N)c(C)on1O;UUHSGZHFYSOPBH-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187008;MM187008;C=Cc1nn(C)c(=O)o1;DKVZMFFTYPGGJJ-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187009;MM187009;Cn1nc(C=O)oc1=O;DDGCJEVEZOEBMM-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187010;MM187010;Cn1nc(C#N)oc1=O;BOTHSVWNENEPSW-UHFFFAOYSA-N;125.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187011;MM187011;C=Cc1nn(N)c(=O)o1;VHMFKEULHLBOJX-UHFFFAOYSA-N;127.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187012;MM187012;COc1cn(O)c(=O)o1;NDHLQFOEWPBLLK-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187013;MM187013;Cn1nc(O)c(=O)n1C;KBSJYWQITJAWSU-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187014;MM187014;O=c1nc(O)n(O)n1O;SSRYNUHEJFFRJE-UHFFFAOYSA-N;133.06;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187015;MM187015;C#CC1=CC(C)C(=C)C1;KEOAVRPLHLZZIM-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187016;MM187016;C#CC1=CC(N)C(=C)C1;SATJWVIHNNWZMU-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187017;MM187017;C#CC1=CC(O)C(=C)C1;BHSGPDLMNNGBTE-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187018;MM187018;C#CC1=CC(F)C(=C)C1;VKUJSRAWBNTGDE-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187019;MM187019;C#CC1=CC(C)C(=O)C1;QXMLKJGKJPZQML-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187020;MM187020;C#CC1=CC(O)C(=O)C1;AOPIZMALOIHVPY-UHFFFAOYSA-N;122.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187021;MM187021;C#CC1=CC(F)C(=O)C1;QLMQKDXIRMBSSK-UHFFFAOYSA-N;124.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187022;MM187022;C#CC1=CC(C)C(=N)N1;PFZWIFGLARAVDW-UHFFFAOYSA-N;120.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187023;MM187023;C#CC1=CC(N)C(=N)N1;GSJKAUVERPICNQ-UHFFFAOYSA-N;121.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187024;MM187024;C#CC1=CC(O)C(=N)N1;MTQIXGDWVRSOCW-UHFFFAOYSA-N;122.13;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187025;MM187025;NN=c1cc(CF)on1O;HHDHBQGVZOPDNU-UHFFFAOYSA-N;147.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187026;MM187026;C#CC1=CC(C)C(=O)N1;DVHPFEIMNBTKMG-UHFFFAOYSA-N;121.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187027;MM187027;C#CC1=CC(O)C(=O)N1;XGCYJHJSCTVGCB-UHFFFAOYSA-N;123.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187028;MM187028;C#CC1=CC(F)C(=O)N1;QLMLDMHJGOZJPZ-UHFFFAOYSA-N;125.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187029;MM187029;C#CC1=CC(C)C(=C)O1;NSLMNMIWZXYUSP-UHFFFAOYSA-N;120.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187030;MM187030;C#CC1=CC(N)C(=C)O1;HXEPKOVQXVSNCQ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187031;MM187031;C#CC1=CC(O)C(=C)O1;VNNMAKDELVKREG-UHFFFAOYSA-N;122.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187032;MM187032;C#CC1=CC(F)C(=C)O1;CAUJIVHYPNLGQS-UHFFFAOYSA-N;124.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187033;MM187033;C#CC1=CC(C)C(=O)O1;BTGIEOOWSSCKEA-UHFFFAOYSA-N;122.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187034;MM187034;C#CC1=CC(O)C(=O)O1;VCKIPBQKEVSBOM-UHFFFAOYSA-N;124.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187035;MM187035;C#CC1=CN(C)C(=N)C1;NSEIKCNMNQQRIB-UHFFFAOYSA-N;120.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187036;MM187036;C#CC1=CN(N)C(=N)C1;BPHZHVLEUPNTBG-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187037;MM187037;C#CC1=CN(C)C(=O)C1;BOKYIZMYSWHNLQ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187038;MM187038;C#CC1=CN(N)C(=O)C1;QZNSAPXXRQQNLI-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187039;MM187039;CN=c1cc(C#N)on1O;RXCVINWBGZIUTM-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187040;MM187040;C#CC1=NN(C)C(=O)C1;RFFFAVQPXDJKJQ-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187041;MM187041;C#Cc1cn(C)c(=N)[nH]1;IAOAEWPDTWLMAW-UHFFFAOYSA-N;121.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187042;MM187042;C#Cc1cn(N)c(=N)[nH]1;URLAULFOMVULIB-UHFFFAOYSA-N;122.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187043;MM187043;C#Cc1cn(O)c(=N)[nH]1;NVHSMSUSLHJAMO-UHFFFAOYSA-N;123.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187044;MM187044;C#Cc1cn(C)c(=O)[nH]1;PWYRGGXHKJECCN-UHFFFAOYSA-N;122.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187045;MM187045;C#Cc1cn(N)c(=O)[nH]1;TYKCPRKFJWZYHB-UHFFFAOYSA-N;123.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187046;MM187046;C#Cc1cn(N)c(=N)o1;KWRSHFYHVCWNIB-UHFFFAOYSA-N;123.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187047;MM187047;C=Cc1cc(=NN)n(O)o1;LRFJOUFKGIEULV-UHFFFAOYSA-N;141.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187048;MM187048;C#Cc1cn(C)c(=O)o1;UEROFLXBVVAGIP-UHFFFAOYSA-N;123.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187049;MM187049;C#Cc1cn(N)c(=O)o1;RIFVWSJXAWJRKA-UHFFFAOYSA-N;124.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187050;MM187050;O=c1cn[nH]ccc1=NO;IVSFURGRWWPESK-UHFFFAOYSA-N;139.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187051;MM187051;C#Cc1nn(C)c(=N)o1;DOODOFZDZZPICJ-UHFFFAOYSA-N;123.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187052;MM187052;C#Cc1nn(N)c(=N)o1;JMSWSGPWDJATCA-UHFFFAOYSA-N;124.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187053;MM187053;CN=c1cnn(C=O)n1O;GITVNISQZNDJLS-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187054;MM187054;C#Cc1nn(C)c(=O)o1;DLIOVMAWCOVBKC-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187055;MM187055;C#Cc1nn(N)c(=O)o1;SPIFIMLVHNUGLK-UHFFFAOYSA-N;125.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187056;MM187056;C=Cc1ncn(O)c(=O)n1;YCICDNBYDSWSGT-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SNa";;;;;;;-1.11;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187057;MM187057;C=C1C=C(CC)CC1=C;GQRGRYRTDCVHKX-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187058;MM187058;C=C1C=C(CN)CC1=C;CZKIAEUUFXUTEZ-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187059;MM187059;C=C1C=C(CO)CC1=C;ZTKHNABZVWJAOD-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187060;MM187060;C=C1C=C(CF)CC1=C;ZBYBPSPQSWXECW-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187061;MM187061;C=C1CC(CC)=CC1=O;POYQLFTXCWWDOZ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187062;MM187062;C=C1CC(CO)=CC1=O;OFLXWCYNAAKOLX-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187063;MM187063;C=C1CC(CF)=CC1=O;MLQAKUSLADTXEA-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187064;MM187064;C=C1C=C(CC)CC1=O;SMVNJQXTRNWPMQ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187065;MM187065;C=C1C=C(CO)CC1=O;ZBMFHNRIKBGYMD-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187066;MM187066;C=C1C=C(CF)CC1=O;OCKKQLOEEIWSKL-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187067;MM187067;CCC1=CC(=O)C(=O)C1;VNCHASOBMYBZIE-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187068;MM187068;O=C1C=C(CO)CC1=O;FINUFRWQMBOJTG-UHFFFAOYSA-N;126.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187069;MM187069;O=C1C=C(CF)CC1=O;VYPYFTJXAZIVLG-UHFFFAOYSA-N;128.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187070;MM187070;C=C1CC(NC)=CC1=O;KAPCUIKSLFWNEX-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187071;MM187071;CNC1=CC(=O)C(=O)C1;REDIJAUYVQECDC-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187072;MM187072;C=C1C=C(OC)CC1=C;UQVCVQUQFMGQSZ-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187073;MM187073;C=C1CC(OC)=CC1=O;QAZAJEBSVTZJLZ-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187074;MM187074;C=C1C=C(OC)CC1=O;BRJBPYRAETXWPX-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187075;MM187075;C=C1C=C(CC)NC1=N;GCSOEKDRBAXLNU-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187076;MM187076;C=C1C=C(CN)NC1=N;GUDCXZLSURWNTL-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187077;MM187077;C=C1C=C(CO)NC1=N;NKXZPDKSWGEXHU-UHFFFAOYSA-N;124.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187078;MM187078;C=C1C=C(CF)NC1=N;XKDQFXOZUCJUFE-UHFFFAOYSA-N;126.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187079;MM187079;CNc1n[nH]c(N)n1;IDPVERHXDUGTRN-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187080;MM187080;N=c1c(N)con1O;MANCRJUNWBLLGI-UHFFFAOYSA-N;115.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187081;MM187081;NN=c1ccon1O;HCINUIXMSCAQLE-UHFFFAOYSA-N;115.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187082;MM187082;C=C1C=C(CC)NC1=O;NTEPGWQEOVADFW-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187083;MM187083;C=C1C=C(CN)NC1=O;AIWNRXWGWAZVOS-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187084;MM187084;C=C1C=C(CO)NC1=O;SBSQJRXXTNHMTO-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187085;MM187085;C=C1C=C(CF)NC1=O;VAJUNSNWWUUNGD-UHFFFAOYSA-N;127.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187086;MM187086;CCC1=CC(=O)C(=O)N1;GIKVNYIAWUVVPP-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187087;MM187087;O=C1C=C(CO)NC1=O;ULYXRHLLRQSAIS-UHFFFAOYSA-N;127.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187088;MM187088;Cc1on(O)c(=N)c1N;SGAJWBKZHXHIBC-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187089;MM187089;CNC1=CC(=O)C(=O)N1;HKCHDKLMBBYLGS-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187090;MM187090;C=C1C=C(OC)NC1=N;JTBJVYSFGHYDEF-UHFFFAOYSA-N;124.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187091;MM187091;CN1CC1CC(O)C=O;HDVLPGPXOYLMPO-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187092;MM187092;C=C1C=C(OC)NC1=O;JVTOQRRRELKBNY-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187093;MM187093;C=CC1=NN(C)C(=O)C1;JDMLPTLEDHEZII-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187094;MM187094;Nc1nc(C=O)[nH]c1N;WXSFRKARDMPCOJ-UHFFFAOYSA-N;126.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187095;MM187095;C=C1N=C(CC)NC1=O;VBQQBOQIKLZAIS-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187096;MM187096;C=C1N=C(CO)NC1=O;CNSNNBVTSSIFOM-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187097;MM187097;C=C1N=C(CF)NC1=O;KSWTZKWNEWUEKW-UHFFFAOYSA-N;128.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187098;MM187098;Cc1cc(=NN)n(O)o1;WGRAMFVLRFRXGU-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187099;MM187099;CC=C1CNC(=O)N1N;KVYSENDYWSFWBN-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187100;MM187100;CN=C1CNC(=O)N1C;SROOYIPPAPBCOV-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187101;MM187101;CCC1=NC(=N)C(=O)N1;XIWVSVNRHAUHMK-UHFFFAOYSA-N;125.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187102;MM187102;N=C1N=C(CO)NC1=O;MFBGPIGUVGOXBL-UHFFFAOYSA-N;127.1;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187103;MM187103;N=C1N=C(CF)NC1=O;ZZHITVGNCKYAAN-UHFFFAOYSA-N;129.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187104;MM187104;CCC1=NC(=O)C(=O)N1;IJIHBDIGCPCRJL-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187105;MM187105;O=C1N=C(CO)NC1=O;NMHNQDXEJSYEKV-UHFFFAOYSA-N;128.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187106;MM187106;C=C1NC(NC)=NC1=N;QDRZBMFEBIMMLJ-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187107;MM187107;C=C1NC(NN)=NC1=N;VCTIAOCHCPNWJB-UHFFFAOYSA-N;125.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187108;MM187108;N=c1cnn(C=O)n1O;LFRTZUKLIJBYDS-UHFFFAOYSA-N;128.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187109;MM187109;CNc1con(O)c1=N;TVXIAWQXBVSVTO-UHFFFAOYSA-N;129.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187110;MM187110;N#Cc1con(O)c1=N;YUCXKZHQYXHNCX-UHFFFAOYSA-N;125.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187111;MM187111;CCc1nc(OC)c[nH]1;RTSFFYCZXMAQNF-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187112;MM187112;NC1=NC(NO)=NC1=O;HLPYJNRSKPXGPR-UHFFFAOYSA-N;128.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187113;MM187113;CNC1=NC(=N)C(=O)N1;NXVFFZWNEDZQQX-UHFFFAOYSA-N;126.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187114;MM187114;N=C1N=C(NN)NC1=O;NGPACRVFPZWRLO-UHFFFAOYSA-N;127.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187115;MM187115;N=C1N=C(NO)NC1=O;HLPYJNRSKPXGPR-UHFFFAOYSA-N;128.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187116;MM187116;CNC1=NC(=O)C(=O)N1;RYNDRPIGKFQDLD-UHFFFAOYSA-N;127.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187117;MM187117;NNC1=NC(=O)C(=O)N1;ZJIAWRYVMDVVLM-UHFFFAOYSA-N;128.09;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187118;MM187118;O=C1N=C(NO)NC1=O;ZBSSKRHGOVALKE-UHFFFAOYSA-N;129.08;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187119;MM187119;CNc1nc(OC)c[nH]1;IOOGVXZCVDKNEU-UHFFFAOYSA-N;127.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187120;MM187120;C=C1NC(OC)=NC1=O;ZBSRDGWLNCGXLQ-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187121;MM187121;Cc1con(O)c1=NN;ZNLWDXVKUDYRTF-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187122;MM187122;CN=c1c(N)con1O;MTCWVQBHEZMFEL-UHFFFAOYSA-N;129.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187123;MM187123;COC1=NC(=N)C(=O)N1;RIDSBMBMJYTXAW-UHFFFAOYSA-N;127.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187124;MM187124;C=c1cc(CC)oc1=C;OVKCHIRLMHRCDY-UHFFFAOYSA-N;122.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187125;MM187125;C=c1cc(CN)oc1=C;FWIKYSTXBGQXBM-UHFFFAOYSA-N;123.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187126;MM187126;C=c1cc(CO)oc1=C;LKXAREWKVMAUFW-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187127;MM187127;C=c1cc(CF)oc1=C;NEGWLKJCJAUPHK-UHFFFAOYSA-N;126.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187128;MM187128;C=C1OC(CC)=CC1=O;FJNZPBIDASGNQT-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187129;MM187129;C=C1OC(CO)=CC1=O;HEVXEFCLTNPSGW-UHFFFAOYSA-N;126.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187130;MM187130;C=C1OC(CF)=CC1=O;PEBWLXXEZQUBMH-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187131;MM187131;C=C1C=C(CC)OC1=O;ANQKGRMGPDIENP-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187132;MM187132;C=C1C=C(CN)OC1=O;DBSLBZFAAUSICL-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187133;MM187133;C=C1C=C(CO)OC1=O;FOGUYKPBPACJQQ-UHFFFAOYSA-N;126.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187134;MM187134;C=C1C=C(CF)OC1=O;AQDFBEKEFMPBLX-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187135;MM187135;CCC1=CC(=O)C(=O)O1;YUJDDITZKOYLFS-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187136;MM187136;O=C1C=C(CO)OC1=O;CSKXCSLHNKHZSM-UHFFFAOYSA-N;128.08;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187137;MM187137;O=C1C=C(CF)OC1=O;NCDDSJLFFOQTIJ-UHFFFAOYSA-N;130.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187138;MM187138;C=C1OC(NC)=CC1=O;VPDSZFIESQGRPN-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187139;MM187139;CNC1=CC(=O)C(=O)O1;JWLOZXIELGVKGG-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187140;MM187140;C=C1OC(CC)=NC1=N;PNARUJGFIKTFEU-UHFFFAOYSA-N;124.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187141;MM187141;CN1CC1(C)CC(O)C=O;SCMJJDOZQRRQNW-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187142;MM187142;C=C1OC(CC)=NC1=O;HTUHOAJKFFZIGQ-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187143;MM187143;C=C1OC(CO)=NC1=O;SXXUCWNDHZKCKA-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187144;MM187144;C=C1OC(CF)=NC1=O;WVADRFXQMPQIAE-UHFFFAOYSA-N;129.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187145;MM187145;CCC1=NC(=N)C(=O)O1;POHYYWQLYMOYNA-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187146;MM187146;N=C1N=C(CO)OC1=O;FPULCBOYGNJLIZ-UHFFFAOYSA-N;128.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187147;MM187147;N=C1N=C(CF)OC1=O;HNJJRPNVLZJEKE-UHFFFAOYSA-N;130.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187148;MM187148;CCC1=NC(=O)C(=O)O1;DGZLBZVXIMLNKS-UHFFFAOYSA-N;127.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187149;MM187149;O=C1N=C(CO)OC1=O;TZCFLHWHGRBKSM-UHFFFAOYSA-N;129.07;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187150;MM187150;O=C1N=C(CF)OC1=O;QTWFUZJIHUPVIN-UHFFFAOYSA-N;131.06;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187151;MM187151;C=NNC(C)CC(O)C=O;GPAANFZAPKBDMY-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187152;MM187152;C=C(C=CF)C(O)C=NN;SUODWPBLWDUUEN-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187153;MM187153;N=C1N=C(NO)OC1=O;RXTREEXQQCGIGO-UHFFFAOYSA-N;129.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187154;MM187154;CNC1=NC(=O)C(=O)O1;JHCGKPGLPQOTNR-UHFFFAOYSA-N;128.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187155;MM187155;C=NOC(CC=O)=NNC;KZLVYEFGWFLRQH-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187156;MM187156;COC1=NC(=N)C(=O)O1;UOPOVSMUWHPUPV-UHFFFAOYSA-N;128.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187157;MM187157;COC1=NC(=O)C(=O)O1;LZNMUMBYQBIWPO-UHFFFAOYSA-N;129.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187158;MM187158;C=CC1=CC(=C)C(=C)C1;UWRODKYNAJYSID-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187159;MM187159;C=C1C=C(C=O)CC1=C;ACVIPUQPUHCLBN-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187160;MM187160;C=C1C=C(C#N)CC1=C;DBNBHIDLOXEKKD-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187161;MM187161;C=CC1=CC(=O)C(=C)C1;UGXUHKSYJFMKON-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187162;MM187162;C=C1CC(C=O)=CC1=O;GRHLHEXUYCPHEC-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187163;MM187163;C=C1CC(C#N)=CC1=O;MZSPRVZATVDORS-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187164;MM187164;C=CC1=CC(=C)C(=O)C1;FAFONDXSJJHTJM-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187165;MM187165;C=C1C=C(C=O)CC1=O;HCKGTTCOYKLMAL-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187166;MM187166;C=C1C=C(C#N)CC1=O;KTSILDNPRUTXFM-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187167;MM187167;C=CC1=CC(=O)C(=O)C1;RIINPHRUTRDPCU-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187168;MM187168;O=CC1=CC(=O)C(=O)C1;VBLBRFJGMARUMS-UHFFFAOYSA-N;124.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187169;MM187169;N#CC1=CC(=O)C(=O)C1;KQZPHLAJLFOPGN-UHFFFAOYSA-N;121.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187170;MM187170;C=CC1=CC(=C)C(=N)N1;SKKKTFOGQHAMCP-UHFFFAOYSA-N;120.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187171;MM187171;CC(O)c1nn(C)c(=N)o1;SXEUBNGIIHWZDB-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187172;MM187172;C#CC(O)CC(=NN)NO;KJCGFBPBJYDJNI-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187173;MM187173;CC(=NN)C(F)=CNC=O;BZNBVTVGQQJJHZ-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187174;MM187174;C=CC1=CC(=C)C(=O)N1;YQOFGZTYRNJCCQ-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187175;MM187175;C=C1C=C(C=O)NC1=O;WEDIPLKFZFKVSE-UHFFFAOYSA-N;123.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187176;MM187176;O=c1nnoc(CO)c1O;VZVUYUSMVCGBTI-UHFFFAOYSA-N;144.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187177;MM187177;C=CC1=CC(=O)C(=O)N1;AMBCLTSQQAPGML-UHFFFAOYSA-N;123.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187178;MM187178;CNc1coc(F)c1O;JFLQLDAIKVRRRE-UHFFFAOYSA-N;131.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187179;MM187179;C=CC(O)C(=NN)C(C)F;SYVRQTINPQKUFQ-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187180;MM187180;CC1C(CC(O)C=O)N1C;FGLNQORDKSVCMJ-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187181;MM187181;C=CC1=NC(=C)C(=O)N1;PINOVWOICOMMTP-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187182;MM187182;C=C1N=C(C=O)NC1=O;JZGLRZCXHORXSU-UHFFFAOYSA-N;124.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187183;MM187183;C=Cn1nc(F)c(=N)n1O;JCCKBCSFWQSXPR-UHFFFAOYSA-N;144.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187184;MM187184;NN=C1CCN(N)C(=O)C1;QBYXUHGRASNXOI-UHFFFAOYSA-N;142.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187185;MM187185;NN=C1C=CC2(O)CC2O1;NEVGZJUHNDPGHV-UHFFFAOYSA-N;140.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187186;MM187186;C=CC1=NC(=N)C(=O)N1;WPDVEIWHIGMIEP-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187187;MM187187;N=C1N=C(C=O)NC1=O;QUPCASCYWXUVMW-UHFFFAOYSA-N;125.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187188;MM187188;C=CC1=NC(=O)C(=O)N1;IKBYJCHELXJMJZ-UHFFFAOYSA-N;124.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187189;MM187189;O=CC1=NC(=O)C(=O)N1;ZTPAOBSRZHSTPY-UHFFFAOYSA-N;126.07;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187190;MM187190;C=Cc1cc(=C)c(=C)o1;BUUMPFDFZIUWCT-UHFFFAOYSA-N;120.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187191;MM187191;C=c1cc(C=O)oc1=C;BSFKKPMGCGOIQK-UHFFFAOYSA-N;122.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187192;MM187192;C=c1cc(C#N)oc1=C;KWTODTNGHLTCOB-UHFFFAOYSA-N;119.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187193;MM187193;C=CC1=CC(=O)C(=C)O1;QWRGMUNXBYFBGQ-UHFFFAOYSA-N;122.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187194;MM187194;C=C1OC(C=O)=CC1=O;NLYKBMVHSJKWLY-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187195;MM187195;C=C1OC(C#N)=CC1=O;RCBYITYUCNJKKB-UHFFFAOYSA-N;121.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187196;MM187196;C=CC1=CC(=C)C(=O)O1;SZVQQOHRGPZJFO-UHFFFAOYSA-N;122.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187197;MM187197;C=C1C=C(C=O)OC1=O;VBRXWEBBPFIESE-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187198;MM187198;C=C1C=C(C#N)OC1=O;MAQIBENDYRQLDV-UHFFFAOYSA-N;121.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187199;MM187199;C=CC1=CC(=O)C(=O)O1;GRADMMHQSDRIOO-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187200;MM187200;O=CC1=CC(=O)C(=O)O1;LBXBZOKUMUVVCZ-UHFFFAOYSA-N;126.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187201;MM187201;N#CC1=CC(=O)C(=O)O1;UIUZUSWQEPQQHW-UHFFFAOYSA-N;123.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187202;MM187202;C=CC1=NC(=N)C(=C)O1;DKLXFGJFACTILF-UHFFFAOYSA-N;122.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187203;MM187203;C=C1OC(C=O)=NC1=N;LJGWPPUCGNBZKE-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187204;MM187204;C=C1OC(C#N)=NC1=N;NFTIJRWRHLADTR-UHFFFAOYSA-N;121.1;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187205;MM187205;C=CC1=NC(=O)C(=C)O1;DMTMWOCJXCEEDA-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187206;MM187206;C=C1OC(C=O)=NC1=O;UXQQMKSGBVRPLY-UHFFFAOYSA-N;125.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187207;MM187207;C=C1OC(C#N)=NC1=O;WPBSMRRTSVLOPF-UHFFFAOYSA-N;122.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187208;MM187208;C=CC1=NC(=N)C(=O)O1;HTYBBTPPPRVYOY-UHFFFAOYSA-N;124.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187209;MM187209;N=C1N=C(C=O)OC1=O;QFLAQNNNOZFOHK-UHFFFAOYSA-N;126.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187210;MM187210;N#CC1=NC(=N)C(=O)O1;FHOUXBLYPOZLCZ-UHFFFAOYSA-N;123.07;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187211;MM187211;C=CC1=NC(=O)C(=O)O1;TWIJYGZRNRZXPZ-UHFFFAOYSA-N;125.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187212;MM187212;O=CC1=NC(=O)C(=O)O1;NZRXTFJGKANEEZ-UHFFFAOYSA-N;127.06;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187213;MM187213;N#CC1=NC(=O)C(=O)O1;FVQCBHYNSZAIDC-UHFFFAOYSA-N;124.06;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187214;MM187214;C#CC1=CC(=C)C(=C)C1;YWOYWRVSAJNSDC-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187215;MM187215;C#CC1=CC(=O)C(=C)C1;DUZWJRCRCAERLA-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187216;MM187216;C#CC1=CC(=C)C(=O)C1;BPYCTVHHYALEJK-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187217;MM187217;C#CC1=CC(=O)C(=O)C1;OAAODTVXJVSVPV-UHFFFAOYSA-N;120.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187218;MM187218;C#CC1=CC(=C)C(=N)N1;QPCZADOFLPLBJI-UHFFFAOYSA-N;118.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187219;MM187219;N#CC1NC1CC(O)C=O;XFLSNKUGKIRHLW-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187220;MM187220;C#CC1=CC(=C)C(=O)N1;YTONRZVLBHGFPY-UHFFFAOYSA-N;119.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187221;MM187221;C#CC1=CC(=O)C(=O)N1;GVFUPFHKGORAEP-UHFFFAOYSA-N;121.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187222;MM187222;C=NN1CC1CC(O)C=O;XEHSXPCXJIUDFT-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187223;MM187223;C#CC1=NC(=C)C(=O)N1;SJBILXHMABLPNY-UHFFFAOYSA-N;120.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187224;MM187224;CCc1cc(=NN)n(O)o1;CXMVVQDEPSOEAV-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187225;MM187225;C#CC1=NC(=N)C(=O)N1;AXPVJGQWYMSIMO-UHFFFAOYSA-N;121.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187226;MM187226;C#CC1=NC(=O)C(=O)N1;JVSVPDGBTGJRAN-UHFFFAOYSA-N;122.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187227;MM187227;C#Cc1cc(=C)c(=C)o1;XLXYPSQUKGEDBZ-UHFFFAOYSA-N;118.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187228;MM187228;C#CC1=CC(=O)C(=C)O1;XCLBHAHEOPJTAZ-UHFFFAOYSA-N;120.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187229;MM187229;C#CC1=CC(=C)C(=O)O1;JWKSNXQCFAKZJK-UHFFFAOYSA-N;120.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187230;MM187230;C#CC1=CC(=O)C(=O)O1;KHNYPLNUQZDJAG-UHFFFAOYSA-N;122.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187231;MM187231;C#CC1=NC(=N)C(=C)O1;RGJVTEYJMPOKJC-UHFFFAOYSA-N;120.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187232;MM187232;C#CC1=NC(=O)C(=C)O1;MQKXRDRUOXKLQR-UHFFFAOYSA-N;121.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187233;MM187233;C#CC1=NC(=N)C(=O)O1;JTYROOMQGUDPGK-UHFFFAOYSA-N;122.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187234;MM187234;C#CC1=NC(=O)C(=O)O1;DPKPZYUIRXYNFB-UHFFFAOYSA-N;123.07;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187235;MM187235;CCC1C=C(C)C(C)=C1;KPIYHPXCRYBALQ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187236;MM187236;CC1=CC(CN)C=C1C;HDUDXKSTPAXAPN-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187237;MM187237;CC1=CC(CO)C=C1C;MAYCNBLGGGMCHX-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187238;MM187238;CCC1C=C(C)C(F)=C1;CALIZBQTKNPKKL-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187239;MM187239;CC1=CC(CN)C=C1F;UZQHJJBONZYJBJ-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187240;MM187240;CNC1C=C(C)C(C)=C1;JYIMFJNSZAUZHZ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187241;MM187241;CNC1C=C(C)C(F)=C1;MKIFYYUJNAJDTD-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187242;MM187242;COC1C=C(C)C(C)=C1;MJLXIVHREWFLFC-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187243;MM187243;COC1C=C(C)C(F)=C1;SBXIVSMXEQSUFP-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187244;MM187244;CCn1cc(C)c(C)c1;WSWCEUOOBLJGQK-UHFFFAOYSA-N;123.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187245;MM187245;CCn1cc(C)c(N)c1;CNHPQWYYZCFOGH-UHFFFAOYSA-N;124.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187246;MM187246;CCn1cc(C)c(F)c1;BLQNTEMCUBPABX-UHFFFAOYSA-N;127.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187247;MM187247;CCn1cc(N)c(N)c1;ZJLXUDSYAFAZIF-UHFFFAOYSA-N;125.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187248;MM187248;CCn1cc(N)c(O)c1;BPFJTORWZULFJU-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187249;MM187249;CCn1cc(N)c(F)c1;UGKHVFFKXNUKGD-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187250;MM187250;CCn1cc(F)c(F)c1;UDWSESZTGKBSNT-UHFFFAOYSA-N;131.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187251;MM187251;CNn1cc(C)c(C)c1;IRGRVWNZIRDJAS-UHFFFAOYSA-N;124.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187252;MM187252;CNn1cc(C)c(N)c1;HJVUJAMDLXVVBG-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187253;MM187253;CNn1cc(C)c(F)c1;ZLYSQBCWSMRMFQ-UHFFFAOYSA-N;128.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187254;MM187254;CNn1cc(N)c(N)c1;MNXHODIRYVINDK-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187255;MM187255;CNn1cc(N)c(F)c1;INYRRWLQXSXBFD-UHFFFAOYSA-N;129.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187256;MM187256;CNn1cc(F)c(F)c1;RSPVXNCGEQYKDZ-UHFFFAOYSA-N;132.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187257;MM187257;COn1cc(C)c(C)c1;TVRJAIOLVQKVAB-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187258;MM187258;COn1cc(C)c(N)c1;NVYDDWPUFIQLBK-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187259;MM187259;COn1cc(C)c(F)c1;ANGAKLQWKMZOLI-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187260;MM187260;COn1cc(N)c(N)c1;NCFXXFNXYQMHPI-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187261;MM187261;COn1cc(N)c(F)c1;VFBHSIPMARAITE-UHFFFAOYSA-N;130.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187262;MM187262;COn1cc(F)c(F)c1;DZQHYPCRRJAOEV-UHFFFAOYSA-N;133.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187263;MM187263;CCn1cc(C)c(C)n1;QYVRRKWAJJONJU-UHFFFAOYSA-N;124.19;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187264;MM187264;CCn1cc(C)c(F)n1;ACEBFJKWQLPINX-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187265;MM187265;CCn1cc(N)c(C)n1;WBEDVSWPSZQPQZ-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187266;MM187266;N=Cn1ncc(=NN)n1O;LKLQPAQUJFFPRB-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187267;MM187267;CONC(=O)C(F)=CCO;ZJYVVAMFTMYATH-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187268;MM187268;CCn1cc(F)c(C)n1;GTTNMOANQQYAOR-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187269;MM187269;CCn1cc(F)c(F)n1;NHAXUSAPEKWFRZ-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187270;MM187270;CNn1cc(C)c(C)n1;MRNQGKFPGPPDGU-UHFFFAOYSA-N;125.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187271;MM187271;CNn1cc(C)c(F)n1;YFEJFRCCOIRWTN-UHFFFAOYSA-N;129.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187272;MM187272;CNn1cc(N)c(C)n1;KODQJLSMTLRCMB-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187273;MM187273;COc1[nH]cc(N=N)c1C;TVJDMFJCNKOFRI-UHFFFAOYSA-N;139.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187274;MM187274;O=CC(C=C(F)F)=NO;BGRCRRFAZYRXLI-UHFFFAOYSA-N;135.07;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187275;MM187275;Nc1noc(=O)n1O;YDBUCHOZUYSFOF-UHFFFAOYSA-N;117.06;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187276;MM187276;CNn1cc(F)c(C)n1;YENJWVQMSSDUGT-UHFFFAOYSA-N;129.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187277;MM187277;CNn1cc(F)c(F)n1;BENRMZMBDSXRCI-UHFFFAOYSA-N;133.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187278;MM187278;COn1cc(C)c(C)n1;BONDTTOHVZCUIB-UHFFFAOYSA-N;126.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187279;MM187279;COn1cc(C)c(F)n1;LYDZFFZCEVBSJD-UHFFFAOYSA-N;130.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187280;MM187280;COn1cc(N)c(C)n1;CQWDIJVCTNFMTG-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187281;MM187281;COn1cc(N)c(F)n1;IBPNPGOVKAKJMG-UHFFFAOYSA-N;131.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187282;MM187282;CCOC(=NO)C(F)CO;HEFPSHTVTKQFJZ-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187283;MM187283;C=CC(=O)NC(C=O)C=O;GTOLJDCTHTXDBY-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187284;MM187284;COn1cc(F)c(C)n1;BPZRXFBAETVMFI-UHFFFAOYSA-N;130.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187285;MM187285;CCn1nc(C)c(C)n1;VYZDWRYCOCYSEL-UHFFFAOYSA-N;125.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187286;MM187286;CCn1nc(C)c(F)n1;AEIOGKKEABJJSU-UHFFFAOYSA-N;129.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187287;MM187287;CCn1nc(F)c(F)n1;NADRDIOUWSEGCH-UHFFFAOYSA-N;133.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187288;MM187288;C=CC1C=C(C)C(C)=C1;QLMGEUXXIHWKPL-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187289;MM187289;CC1=CC(C=O)C=C1C;XVUSBQSLZXWSFY-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187290;MM187290;C=CC1C=C(C)C(F)=C1;BFAXVCPISSADNQ-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187291;MM187291;CC1=CC(C=O)C=C1F;CRBIULNXSCRAMT-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187292;MM187292;C=CC1C=C(F)C(F)=C1;PMUQDDMLPIBGMW-UHFFFAOYSA-N;128.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187293;MM187293;C=Cn1cc(C)c(C)c1;KWFYVWOESJIDQQ-UHFFFAOYSA-N;121.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187294;MM187294;Cc1cn(C=N)cc1C;LOVASXUXDKMBKJ-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187295;MM187295;Cc1cn(C=O)cc1C;LXXXANCNIPPDIL-UHFFFAOYSA-N;123.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187296;MM187296;C=Cn1cc(C)c(N)c1;DPKYNCRQHUMIDU-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187297;MM187297;Cc1cn(C=N)cc1N;WLCZHSGQTCVCKI-UHFFFAOYSA-N;123.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187298;MM187298;Cc1cn(C=O)cc1N;UDFLBDJNLRJCPW-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187299;MM187299;C=Cn1cc(C)c(O)c1;HFEJNVVOVWBCQT-UHFFFAOYSA-N;123.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187300;MM187300;C=Cn1cc(C)c(F)c1;DOXRRAZTNILTFH-UHFFFAOYSA-N;125.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187301;MM187301;Cc1cn(C=N)cc1F;FVFDWANJWKTGIQ-UHFFFAOYSA-N;126.13;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187302;MM187302;Cc1cn(C=O)cc1F;OPGOHLGWRUVYET-UHFFFAOYSA-N;127.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187303;MM187303;C=Cn1cc(N)c(N)c1;IYRAUJSAYPIRCV-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187304;MM187304;N=Cn1cc(N)c(N)c1;IXXRCJHLZDQQCF-UHFFFAOYSA-N;124.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187305;MM187305;Nc1cn(C=O)cc1N;JNIZPUIAPGIKIX-UHFFFAOYSA-N;125.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187306;MM187306;C=Cn1cc(N)c(O)c1;WHDCXDXPMXYLQJ-UHFFFAOYSA-N;124.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187307;MM187307;C=Cn1cc(N)c(F)c1;BDTXJJUAQGDVBM-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187308;MM187308;N=Cn1cc(N)c(F)c1;LFFZWHWFGPMSHX-UHFFFAOYSA-N;127.12;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187309;MM187309;Nc1cn(C=O)cc1F;AVDMBTCMPQYYIE-UHFFFAOYSA-N;128.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187310;MM187310;C=Cn1cc(F)c(F)c1;AWYYMNOPEUGBKS-UHFFFAOYSA-N;129.11;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187311;MM187311;O=Cn1cc(F)c(F)c1;DZJJSXFJDCZUOH-UHFFFAOYSA-N;131.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187312;MM187312;C=Nn1cc(C)c(C)c1;JBJQMRYFZPCDJS-UHFFFAOYSA-N;122.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187313;MM187313;C=Nn1cc(C)c(N)c1;LRHWAYKETJZOAM-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187314;MM187314;C=Nn1cc(C)c(F)c1;VWEPNXPBLDOERV-UHFFFAOYSA-N;126.13;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187315;MM187315;C=Nn1cc(N)c(N)c1;ZVTOXADQKUXBAM-UHFFFAOYSA-N;124.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187316;MM187316;C=Nn1cc(N)c(F)c1;ALZBBUFDPKVSTR-UHFFFAOYSA-N;127.12;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187317;MM187317;C=Nn1cc(F)c(F)c1;ZCKJJJANMKYAIH-UHFFFAOYSA-N;130.1;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187318;MM187318;C=Cn1cc(C)c(C)n1;MLQOYESLCPGUFZ-UHFFFAOYSA-N;122.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187319;MM187319;Cc1cn(C=O)nc1C;GZRZSTCHICTWDV-UHFFFAOYSA-N;124.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187320;MM187320;C=Cn1cc(C)c(F)n1;MEHHMRDUXPCTSN-UHFFFAOYSA-N;126.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187321;MM187321;Cc1cn(C=N)nc1F;FYNQVXFSZGSHBV-UHFFFAOYSA-N;127.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187322;MM187322;Cc1cn(C=O)nc1F;WUASEKSLLUAKHE-UHFFFAOYSA-N;128.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187323;MM187323;C=Cn1cc(N)c(C)n1;AGUDGUUYPFSPPX-UHFFFAOYSA-N;123.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187324;MM187324;Cc1nn(C=N)cc1N;LDVADJJJFHKDLL-UHFFFAOYSA-N;124.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187325;MM187325;Cc1nn(C=O)cc1N;WGIQSQHVBBXTQD-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187326;MM187326;CC1=NN(C)CC1O;QRPDDXVOTYIQCK-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187327;MM187327;Nc1cn(C=O)nc1F;KHQXHJCCNIVKFD-UHFFFAOYSA-N;129.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187328;MM187328;O=Cc1cnn(O)c1F;FKTAYHLBKGVSII-UHFFFAOYSA-N;130.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187329;MM187329;C=COC(C)(C#N)C=NO;HFFWUNQTYVGHLA-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187330;MM187330;Nc1c[nH]nc1O;NATMWGYJBMRROQ-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187331;MM187331;C=Cn1cc(F)c(C)n1;WBIFQUTYYWUABW-UHFFFAOYSA-N;126.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187332;MM187332;Cc1nn(C=N)cc1F;GOAFRCMSOHHCON-UHFFFAOYSA-N;127.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187333;MM187333;Cc1nn(C=O)cc1F;GZQGZFRUIWVSPJ-UHFFFAOYSA-N;128.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187334;MM187334;C=Cn1cc(F)c(F)n1;ODLCJPSCAWKDKW-UHFFFAOYSA-N;130.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187335;MM187335;N=Cn1cc(F)c(F)n1;DWLSVEJIHNNWDR-UHFFFAOYSA-N;131.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187336;MM187336;O=Cn1cc(F)c(F)n1;LVRTVBNWHBTKSF-UHFFFAOYSA-N;132.07;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187337;MM187337;C=Nn1cc(C)c(C)n1;YBHPOJAPESFYLZ-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187338;MM187338;C=Nn1cc(C)c(F)n1;QRYZSOCTPFCPFB-UHFFFAOYSA-N;127.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187339;MM187339;C=Nn1cc(F)c(C)n1;DFXXLHDDQJHLCX-UHFFFAOYSA-N;127.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187340;MM187340;C=Nn1cc(F)c(F)n1;QSYBWIXDKDBSTM-UHFFFAOYSA-N;131.09;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187341;MM187341;C=Cn1nc(C)c(C)n1;SYCIDJOUKHPYIO-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187342;MM187342;Cc1nn(C=N)nc1C;HJSLRLPPHDJMJG-UHFFFAOYSA-N;124.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187343;MM187343;Cc1nn(C=O)nc1C;PWTDSQLMGASLRU-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187344;MM187344;C=Cn1nc(C)c(F)n1;YCKKXOLFTMHKAC-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187345;MM187345;Cc1nn(C=N)nc1F;CEYQWAQLKWKLIB-UHFFFAOYSA-N;128.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187346;MM187346;Cc1nn(C=O)nc1F;OAORFYITNVATIK-UHFFFAOYSA-N;129.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187347;MM187347;C=Cn1nc(F)c(F)n1;WMPPIDDPSISNJH-UHFFFAOYSA-N;131.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187348;MM187348;N=Cn1nc(F)c(F)n1;QCJRYOHKFMFYPR-UHFFFAOYSA-N;132.07;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187349;MM187349;C#CC1C=C(C)C(C)=C1;CKJNYGQOHQJGSZ-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187350;MM187350;C#CC1C=C(C)C(F)=C1;CIQNWTVHYLFARG-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187351;MM187351;C#CC1C=C(F)C(F)=C1;GJZQHKHCFWCGHN-UHFFFAOYSA-N;126.11;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187352;MM187352;CC=C1C=C(C)C(C)=C1;DKXDPAFBKILJCL-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187353;MM187353;CC1=CC(=CF)C=C1C;LVWDGXRBTBLJOL-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187354;MM187354;CC=C1C=C(C)C(F)=C1;OSGZQFZIWKPNND-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187355;MM187355;CC1=CC(=CF)C=C1F;PNXKSKPLPOPPDB-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187356;MM187356;CC=C1C=C(F)C(F)=C1;KZBZGBPZCVJGQV-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187357;MM187357;CC1=CC(=NN)C=C1C;GGPRIDOPABMAKK-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187358;MM187358;CC1=CC(=NO)C=C1C;OTZZSYMKHHBVLA-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187359;MM187359;CC1=CC(=NO)C=C1N;CKNZJQBWKFBRFN-UHFFFAOYSA-N;124.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187360;MM187360;CC1=CC(=NN)C=C1F;MCJUZCCCXZODQF-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187361;MM187361;NC1=CC(=NO)C=C1N;ZTXAFAKPRPKAOC-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187362;MM187362;NN=C1C=C(N)C(F)=C1;DISNMMQUBDAFLV-UHFFFAOYSA-N;127.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187363;MM187363;NN=C1C=C(F)C(F)=C1;NHLKSNWIMIZPBN-UHFFFAOYSA-N;130.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187364;MM187364;CN=C1C=C(C)C(C)=N1;YCPCOEYTNMKLTO-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187365;MM187365;CN1CC(=NN)C=N1;IVNRPAHVWOLLHM-UHFFFAOYSA-N;112.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187366;MM187366;N#CC1=CNCC1O;SHQNFZLYNGIBKC-UHFFFAOYSA-N;110.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187367;MM187367;CC(O)C(=O)C(=N)NO;OMQRDZJIOPHYNI-UHFFFAOYSA-N;132.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187368;MM187368;C=NNCCC(O)C=O;TXDRYXJRNSUDOL-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187369;MM187369;CN=C1C=C(F)C(C)=N1;VDWFNXCNWCMXMA-UHFFFAOYSA-N;126.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187370;MM187370;CNC(=O)CC=NOC;BECCESVVRJBDBO-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187371;MM187371;Cc1[nH]c(N=O)cc1F;DMHJKUIMIZUYHO-UHFFFAOYSA-N;128.11;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187372;MM187372;CN=C1N=C(C)C(C)=N1;MJSRKEZTWJXNLF-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187373;MM187373;CCN1CC(O)C(C)=N1;WDOZPMLFNNVWED-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187374;MM187374;CCC1=CC(C)C(C)=C1;ORYZBBVRSAQAIU-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187375;MM187375;CC1=CC(CN)=CC1C;XSMPOXTZUJDATG-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187376;MM187376;CC1=CC(CO)=CC1C;DYFYHFCHVCRVNP-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187377;MM187377;CC1=CC(CF)=CC1C;RXOMSHJBZRSRCL-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187378;MM187378;CCC1=CC(N)C(C)=C1;RQMUFARCDHHTTK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187379;MM187379;CC1=CC(CN)=CC1N;CAHULFUMECWBOF-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187380;MM187380;CC1=CC(CO)=CC1N;BNYBAUHGUFCAIW-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187381;MM187381;CC1=CC(CF)=CC1N;XVHOBUOQQVAKGJ-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187382;MM187382;CCC1=CC(O)C(C)=C1;XFCIEZAHBKWRIM-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187383;MM187383;CC1=CC(CN)=CC1O;WFEZLFCQMDPWJA-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187384;MM187384;CC1=CC(CO)=CC1O;MRLFYEOTLJLEPT-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187385;MM187385;CC1=CC(CF)=CC1O;CIYHZGFZABXZTQ-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187386;MM187386;CCC1=CC(F)C(C)=C1;HONZILAHBHQZPB-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187387;MM187387;CC1=CC(CN)=CC1F;MSKSFOMHCFWTSI-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187388;MM187388;CC1=CC(CO)=CC1F;SWNVCWHZGRKFGO-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187389;MM187389;CC1=CC(CF)=CC1F;QSJXOCGORWYEIP-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187390;MM187390;CCC1=CC(C)C(F)=C1;RDKLXLPPSASJFN-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187391;MM187391;CC1C=C(CN)C=C1F;CKBJMEDTYSXJKJ-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187392;MM187392;CC1C=C(CO)C=C1F;ZYTUMLARXMOESQ-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187393;MM187393;CC1C=C(CF)C=C1F;DWODWLGTZMCOOA-UHFFFAOYSA-N;130.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187394;MM187394;NCC1=CC(N)C(F)=C1;HGIONLISTDMSOP-UHFFFAOYSA-N;128.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187395;MM187395;CCC1=CC(O)C(F)=C1;LJKJYZHMLGFKJB-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187396;MM187396;NCC1=CC(O)C(F)=C1;ILUAVCMLRHJGRD-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187397;MM187397;OCC1=CC(O)C(F)=C1;WIGHPVLYLBQXLU-UHFFFAOYSA-N;130.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187398;MM187398;OC1C=C(CF)C=C1F;HBPCBZGKCZVUPO-UHFFFAOYSA-N;132.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187399;MM187399;COC1=CC(C)C(C)=C1;UPKLNMJXCNPOQE-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187400;MM187400;COC1=CC(N)C(C)=C1;IOXIGOQTCOSQIP-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187401;MM187401;COC1=CC(O)C(C)=C1;MXKUBKUXJUVHLA-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187402;MM187402;COC1=CC(F)C(C)=C1;FPMDUQCJTZYEAD-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187403;MM187403;COC1=CC(C)C(F)=C1;DNABIWFWXOOROE-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187404;MM187404;COC1=CC(O)C(F)=C1;YVUCSMNNEDDRHN-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187405;MM187405;CCc1cc(C)n(C)c1;LEHCNTCTOWIJJU-UHFFFAOYSA-N;123.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187406;MM187406;Cc1cc(CN)cn1C;WOMYPBDSUUWDCA-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187407;MM187407;Cc1cc(CO)cn1C;FJMPZFNUJADBQE-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187408;MM187408;Cc1cc(CF)cn1C;VDIUPUXVBUFYJP-UHFFFAOYSA-N;127.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187409;MM187409;CCc1cc(C)n(N)c1;SSOFZXKEQMBJMT-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187410;MM187410;Cc1cc(=NN)on1O;VFLOVVLXLZCTTR-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187411;MM187411;Cc1cc(CF)cn1N;WVRYVALDOOEXRC-UHFFFAOYSA-N;128.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187412;MM187412;CCc1cc(C)n(O)c1;OWEHKHODFKDHHG-UHFFFAOYSA-N;125.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187413;MM187413;Cc1cc(CN)cn1O;GKTISPJJXCNLDQ-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187414;MM187414;Cc1cc(CO)cn1O;MRPCBVJAVBOWOX-UHFFFAOYSA-N;127.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187415;MM187415;Cc1cc(CF)cn1O;SIJLFQFELHLTDI-UHFFFAOYSA-N;129.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187416;MM187416;CCc1cc(N)n(C)c1;BBIYKGRWWKWYFR-UHFFFAOYSA-N;124.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187417;MM187417;Cn1cc(CN)cc1N;RWTUHJLKOCYSJE-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187418;MM187418;N=c1c(C=O)con1O;MXCLMGFOWPRBCY-UHFFFAOYSA-N;128.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187419;MM187419;Cn1cc(CF)cc1N;KOKCNNGXOCEYEJ-UHFFFAOYSA-N;128.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187420;MM187420;CCc1cc(N)n(N)c1;CJLNIUJXKIHLHL-UHFFFAOYSA-N;125.18;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187421;MM187421;C=CC(O)C(CF)=NN;RUXMWRIWIKNNRJ-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187422;MM187422;Nc1cc(CF)cn1N;USNIFWUARYHKIG-UHFFFAOYSA-N;129.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187423;MM187423;C=Cc1c[nH]c(C=C)n1;RBGVQZVVRBSPBX-UHFFFAOYSA-N;120.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187424;MM187424;NCc1cc(N)n(O)c1;BXUQCHZJULMKJU-UHFFFAOYSA-N;127.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187425;MM187425;Nc1cc(CO)cn1O;ZTORWKMGEUYFEI-UHFFFAOYSA-N;128.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187426;MM187426;Nc1cc(CF)cn1O;RCKUESDIDVMFDF-UHFFFAOYSA-N;130.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187427;MM187427;CCc1cc(O)n(C)c1;DNXPGZSNJBKGAH-UHFFFAOYSA-N;125.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187428;MM187428;Cn1cc(CN)cc1O;LJSAVZKRXPNRKO-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187429;MM187429;Cn1cc(CO)cc1O;YAYKEQDJANRWEH-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187430;MM187430;Cn1cc(CF)cc1O;MMANQWPCGDDZFH-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187431;MM187431;CCc1cc(O)n(N)c1;JDPBMRHOOIMLBS-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187432;MM187432;Nn1cc(CO)cc1O;ZOXKXUUSRAXBNF-UHFFFAOYSA-N;128.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187433;MM187433;Nn1cc(CF)cc1O;PWNYYWQTZUJCNO-UHFFFAOYSA-N;130.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187434;MM187434;CCc1cc(O)n(O)c1;JUYJXYFRYYJVMQ-UHFFFAOYSA-N;127.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187435;MM187435;NCc1cc(O)n(O)c1;LHXKMICUAKEYQC-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187436;MM187436;OCc1cc(O)n(O)c1;RGQMQKHEVSEGMH-UHFFFAOYSA-N;129.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187437;MM187437;Oc1cc(CF)cn1O;CRODGEKKWLXFTA-UHFFFAOYSA-N;131.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187438;MM187438;CCc1cc(F)n(C)c1;XIUCPMNDQMRZAN-UHFFFAOYSA-N;127.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187439;MM187439;Cn1cc(CN)cc1F;FIXYFSAHYDXJBZ-UHFFFAOYSA-N;128.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187440;MM187440;Cn1cc(CO)cc1F;OAHSWBUVBBRMBL-UHFFFAOYSA-N;129.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187441;MM187441;Cn1cc(CF)cc1F;UOTUMTTYLTZIHB-UHFFFAOYSA-N;131.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187442;MM187442;CCc1cc(F)n(N)c1;UIILTZVYBKSJCW-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187443;MM187443;O=CC12CNC(=O)C1N2;XUCORMFATSDEDB-UHFFFAOYSA-N;126.12;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187444;MM187444;Nn1cc(CF)cc1F;COEZWRVMPRXAHK-UHFFFAOYSA-N;132.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187445;MM187445;CCc1cc(F)n(O)c1;QXNHFLKJWWYAIO-UHFFFAOYSA-N;129.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187446;MM187446;NCc1cc(F)n(O)c1;TZHWMQUNNOWTSG-UHFFFAOYSA-N;130.12;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187447;MM187447;OCc1cc(F)n(O)c1;ZRKZIHZUBRATCT-UHFFFAOYSA-N;131.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187448;MM187448;On1cc(CF)cc1F;RDAOAWQCFPQGIB-UHFFFAOYSA-N;133.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187449;MM187449;CNc1cc(C)n(C)c1;AQCSDTSRYPCIJA-UHFFFAOYSA-N;124.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187450;MM187450;CNc1cc(C)n(N)c1;BKTIATALNIIDPK-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187451;MM187451;OCC1(O)CC1N1CC1;SCSMZTWHBRDOJQ-UHFFFAOYSA-N;129.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187452;MM187452;CNc1cc(N)n(C)c1;SQFRXMUDCVGGSL-UHFFFAOYSA-N;125.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187453;MM187453;CNc1cc(N)n(N)c1;KPRJQYZEKSBQAI-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187454;MM187454;CC(=CC(=O)NN)C(C)C;YCAMNMDJAGTOMT-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187455;MM187455;CNc1cc(O)n(C)c1;JPLQCTGAXNUBIM-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187456;MM187456;CNc1cc(O)n(N)c1;QRTGCARLMXOGJH-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187457;MM187457;CNc1cc(O)n(O)c1;XNPMDADJJLZYJB-UHFFFAOYSA-N;128.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187458;MM187458;CNc1cc(F)n(C)c1;JATHAODLKNYDCG-UHFFFAOYSA-N;128.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187459;MM187459;CNc1cc(F)n(N)c1;FHCYWELNTKVGGY-UHFFFAOYSA-N;129.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187460;MM187460;CNc1cc(F)n(O)c1;OFXHGJMTFHEJRZ-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187461;MM187461;COc1cc(C)n(C)c1;MTWXDVUCUZVXCA-UHFFFAOYSA-N;125.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187462;MM187462;COc1cc(C)n(N)c1;RAVMEBZZQZCYDN-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187463;MM187463;COc1cc(C)n(O)c1;FOTYUVNWILIDKZ-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187464;MM187464;COc1cc(N)n(C)c1;VJXZGRGDFNZDKS-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187465;MM187465;COc1cc(N)n(N)c1;BUTGAPSTXXAHDH-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187466;MM187466;COc1cc(N)n(O)c1;SZVMBZCWNHZDAU-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187467;MM187467;COc1cc(O)n(C)c1;OAXYJIZKDGGFRF-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187468;MM187468;COc1cc(O)n(N)c1;ZTHQIIBXTTUMCZ-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187469;MM187469;COc1cc(O)n(O)c1;DYLHFHNVTKHBMO-UHFFFAOYSA-N;129.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187470;MM187470;COc1cc(F)n(C)c1;YGDSVWHLMDDEPJ-UHFFFAOYSA-N;129.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187471;MM187471;COc1cc(F)n(N)c1;PJOANEJMGMGIOX-UHFFFAOYSA-N;130.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187472;MM187472;COc1cc(F)n(O)c1;CDHRDLGZFBWIGH-UHFFFAOYSA-N;131.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187473;MM187473;CCc1cc(C)n(C)n1;ODQKAYROHQZCBM-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187474;MM187474;CC(O)C(=O)C(=N)N(C)O;ZNXOBGDSFHSANB-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187475;MM187475;Cc1cc(CF)nn1C;HVLVQVMYQFFLQF-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187476;MM187476;CCc1cc(C)n(N)n1;DLTNGWPGEQAGDP-UHFFFAOYSA-N;125.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187477;MM187477;C=CC(=C)NC(=O)C=NN;PHNAMAPJEMEYOJ-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187478;MM187478;Cc1cc(CF)nn1N;LMLPZJGIPPTAGW-UHFFFAOYSA-N;129.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187479;MM187479;CCc1cc(C)n(O)n1;YOYWNZIGSQNZKE-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187480;MM187480;Cc1cc(CO)nn1O;JCHVCANSHBSLIZ-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187481;MM187481;Cc1cc(CF)nn1O;MXYUCPNOLPGWFZ-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187482;MM187482;CCc1cc(N)n(C)n1;QVNYNCBHNRXHTB-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187483;MM187483;CCCC(C)=CC(=O)NN;WPEAKPAMDCLXBY-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187484;MM187484;Cn1nc(CF)cc1N;ZWHOWDGOYRVYAE-UHFFFAOYSA-N;129.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187485;MM187485;CCc1cc(N)n(N)n1;YRAIYPPIAUEKOR-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187486;MM187486;CN=C(NO)C(=O)C(C)O;QFKXZIYLEUPOEB-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187487;MM187487;Nc1cc(CF)nn1N;SJAOCIGPNCIDDY-UHFFFAOYSA-N;130.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187488;MM187488;CCc1cc(N)n(O)n1;OXEJLOBSCZZLKL-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187489;MM187489;Nc1cc(CO)nn1O;WOWOFCVGBZLPIT-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187490;MM187490;Nc1cc(CF)nn1O;KFGMOPUTVRHIEX-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187491;MM187491;COn1[nH]c(=N)n(C)c1=O;SULGWQJBMWUHRI-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187492;MM187492;C#CC(O)(C=NN)C=NO;CABYMHRHWGGKBN-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187493;MM187493;Cn1[nH]n(N)c(=O)c1=O;YQVOBRIKGWAXDA-UHFFFAOYSA-N;130.11;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187494;MM187494;CCN=c1nc(O)n(N)o1;WZSZZNNOCFDQIF-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187495;MM187495;N=Cn1oc(=O)n(O)c1=N;SRHHJFLZOYRQID-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187496;MM187496;Cn1oc(O)cc(=O)c1=N;MAOWGDBKSORARN-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187497;MM187497;N=c1[nH]c(F)cc(=NN)o1;PJJAGEMDWDHHIV-UHFFFAOYSA-N;144.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187498;MM187498;N#CC(C#N)N=CN1CC1;FOXGGDOVVJTJPT-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187499;MM187499;CN=c1[nH]cc(F)c(=O)o1;PFNXJJAAZMIJOA-UHFFFAOYSA-N;144.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187500;MM187500;CCc1cc(F)n(C)n1;RGCWEPVILJATSR-UHFFFAOYSA-N;128.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187501;MM187501;C=C(C)C(O)C=NOCC;OZSPDKLXNSRVRW-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187502;MM187502;Cn1nc(CF)cc1F;GMRXHFMHBNFJFV-UHFFFAOYSA-N;132.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187503;MM187503;CCc1cc(F)n(N)n1;ZEECSTTYMASCBN-UHFFFAOYSA-N;129.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187504;MM187504;C=CCN1CC(O)C(C)=N1;ZZBBDPGWWYROKM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187505;MM187505;N=c1nc(OC(N)=O)o[nH]1;CEGLEWLYTFKCNF-UHFFFAOYSA-N;144.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187506;MM187506;COc1cc(C)n(C)n1;JBOGQASSAPOWOG-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187507;MM187507;COc1cc(C)n(N)n1;ZKADTWDPZLNMIK-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187508;MM187508;COc1cc(C)n(O)n1;JZPXJYPPJOPNTD-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187509;MM187509;COc1cc(N)n(C)n1;YFUSJUKJTGCOGP-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187510;MM187510;COc1cc(N)n(N)n1;HTAYDOSBVZPGKP-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187511;MM187511;COc1cc(N)n(O)n1;ZHDSVLZBDYHYEV-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187512;MM187512;Cc1nn(O)c(=O)o1;BZHTUNPAZRINLX-UHFFFAOYSA-N;116.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187513;MM187513;CCc1nn(O)c(=O)o1;YYGLYPKENMTHJB-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187514;MM187514;O=c1nc(F)cnn1O;JXRBRFZOFKQEJH-UHFFFAOYSA-N;131.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187515;MM187515;COc1cc(F)n(C)n1;RQTJLQNIVDWYNF-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187516;MM187516;COc1cc(F)n(N)n1;LMWYIKZKSSUKFQ-UHFFFAOYSA-N;131.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187517;MM187517;CC1=NN(CC#N)CC1O;FDEFJZFOVPGWNL-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187518;MM187518;Cc1nc(CF)cn1C;LMLAMTMFVUGPJT-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187519;MM187519;CCc1cn(N)c(C)n1;SYXKCOFNVHXXRT-UHFFFAOYSA-N;125.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187520;MM187520;C#CCN1CC(O)C(C)=N1;JTUWZWYPKDIYFO-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187521;MM187521;Cc1nc(CF)cn1N;VSFUBSHTCTWCII-UHFFFAOYSA-N;129.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187522;MM187522;CNN=c1cc(C)n(O)o1;BLOUOFNZDGXIPT-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187523;MM187523;C=NOCC(F)(CO)CO;AKLFPCQYGNIEEP-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187524;MM187524;C=CC(O)(CC)CON=C;HERMRUPFCCVTSO-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187525;MM187525;CCc1cn(C)c(N)n1;VOUUUJLGKIVVSA-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187526;MM187526;Cn1cc(CN)nc1N;KXGMNUUCGWGHFC-UHFFFAOYSA-N;126.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187527;MM187527;C=CC1(O)CNN(C=O)C1;OOYMAWHIAGIRKI-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187528;MM187528;C#CC(O)CC(CO)=NN;QHYJNUGYHOAHHP-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187529;MM187529;CCC(=CC(=O)NN)CC;XBFCNBVARXCZJR-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187530;MM187530;CCC(O)(CO)CN1CC1;UNTFEDMQJVAHMP-UHFFFAOYSA-N;145.2;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187531;MM187531;CNC(=O)CC=NN=CN;SNCPHCFGJLZLBC-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187532;MM187532;Cn1c(=O)n(N)n(O)c1=N;FEVFXLQMJZFDJG-UHFFFAOYSA-N;145.12;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187533;MM187533;Nn1cc(CO)nc1O;QVKXFQHWEAWSHE-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187534;MM187534;Nn1cc(CF)nc1O;LKBYVQVUPBCVCZ-UHFFFAOYSA-N;131.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187535;MM187535;CCc1cn(O)c(O)n1;WSLRNVCMKCPCLE-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187536;MM187536;OCc1cn(O)c(O)n1;OUBSKRISORENEQ-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187537;MM187537;Oc1nc(CF)cn1O;OPQYTUZPWRNHAR-UHFFFAOYSA-N;132.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187538;MM187538;CNc1cn(C)c(C)n1;BGHLUQLOMOBOKZ-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187539;MM187539;CNc1cn(N)c(C)n1;NTLBJZCOABENHH-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187540;MM187540;Cn1nnc(=N)c(=N)n1O;VBSXSSZVBLXDQI-UHFFFAOYSA-N;142.12;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187541;MM187541;CCn1nc(F)c(=N)n1O;CPDUVHLRGGENJZ-UHFFFAOYSA-N;146.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187542;MM187542;CNc1cn(N)c(O)n1;SKJHFGHOTXVZOG-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187543;MM187543;CNc1cn(O)c(O)n1;VJCHZHIMPKPEOL-UHFFFAOYSA-N;129.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187544;MM187544;COc1cn(C)c(C)n1;RRZALEFBAFYBEJ-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187545;MM187545;COc1cn(N)c(C)n1;QKBFWWHDIBGWFM-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187546;MM187546;COc1cn(O)c(C)n1;SBEZSRMLPXXMHD-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187547;MM187547;COc1cn(C)c(N)n1;HPFFKYHIBSTMCN-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187548;MM187548;COc1cn(N)c(N)n1;KJDMUOISAOBMEH-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187549;MM187549;Cc1oc(=NN)n(O)c1N;JQGKKPFYXDELIM-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187550;MM187550;COc1cn(C)c(O)n1;WTKAPDFRMUXIHS-UHFFFAOYSA-N;128.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187551;MM187551;COc1cn(N)c(O)n1;SFASVLCZOYPCTD-UHFFFAOYSA-N;129.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187552;MM187552;COc1cn(O)c(O)n1;VKVMEQRBFXERMS-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187553;MM187553;CCc1nc(C)n(C)n1;GPZJYSDNMQBSAI-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187554;MM187554;Cc1c(C)n(O)oc1=NN;UOPNWJCRCPRKGV-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187555;MM187555;Cc1nc(CF)nn1C;NXXMDYBDPHQNJL-UHFFFAOYSA-N;129.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187556;MM187556;CCc1nc(C)n(N)n1;JRPWDGVOWFFJTO-UHFFFAOYSA-N;126.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187557;MM187557;CC1(O)C2NC(=NN)OC21;BRRNERUTWQGTGA-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187558;MM187558;Cc1nc(CF)nn1N;ZPMWYPKUVZHQNQ-UHFFFAOYSA-N;130.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187559;MM187559;CCc1nc(N)n(C)n1;GUYRJILQXBQXHO-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187560;MM187560;COC(CC#CCO)=NN;LZHZRXXJYBTPTO-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187561;MM187561;Cn1nc(CF)nc1N;FNAHCGZRCCYGSG-UHFFFAOYSA-N;130.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187562;MM187562;C=C(NC=O)C(CF)=NN;JKPVEHJBNUVKKK-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187563;MM187563;N#CC(CF)=C(N)NC=O;YHMDIMSDVQUGSV-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187564;MM187564;CN=c1c(F)nn(C)n1O;CHSKVMABEWIELE-UHFFFAOYSA-N;146.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187565;MM187565;C=CCc1nn(O)c(=O)o1;QWDWLVBBSSPWAR-UHFFFAOYSA-N;142.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187566;MM187566;C#CCc1nn(O)c(=O)o1;ZQIIDWGEZOMBCP-UHFFFAOYSA-N;140.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187567;MM187567;Cc1nn(O)c(=O)nc1F;HZRAOSJYCIFHQQ-UHFFFAOYSA-N;145.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187568;MM187568;CN=c1cc(C=O)on1O;UPGAKZUYCIBZMJ-UHFFFAOYSA-N;142.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187569;MM187569;CCc1cc(=NN)on1O;HWFXQHSSGAISDK-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187570;MM187570;CNc1nc(C)n(O)n1;CIDXHZXNVJRVFN-UHFFFAOYSA-N;128.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187571;MM187571;Cc1con(O)c1=NC=N;VAFPTBAORKBYEI-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187572;MM187572;CN=c1c(C=O)con1O;FNFOFLIIFDHZRD-UHFFFAOYSA-N;142.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187573;MM187573;Cc1nc(=O)n(O)nc1F;FNMQYHYIDUMKEG-UHFFFAOYSA-N;145.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187574;MM187574;COc1nc(C)n(C)n1;RLFYBWBATSZXDX-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187575;MM187575;COc1nc(C)n(N)n1;HQRLVVNLHIFRCY-UHFFFAOYSA-N;128.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187576;MM187576;CC1=NNCC1O;TZBQVZXWHDJBLX-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187577;MM187577;CNN(C)C(=O)CO;ILXHSWDIXDHUGO-UHFFFAOYSA-N;118.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187578;MM187578;CC(C)c1nn(O)c(=O)o1;JSPCXSCQORTTEC-UHFFFAOYSA-N;144.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187579;MM187579;C=CC1=CC(C)C(C)=C1;VEVSPAJLLICXJK-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187580;MM187580;CC1=CC(C=O)=CC1C;LTFSUUCMZZNRHA-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187581;MM187581;CC1=CC(C#N)=CC1C;DLUFISKZDGDWMO-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187582;MM187582;C=CC1=CC(N)C(C)=C1;CRDHQIJEJXAWNU-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187583;MM187583;C=CC1=CC(O)C(C)=C1;BLWVAFCODVTPKV-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187584;MM187584;CC1=CC(C=O)=CC1O;DMCQKXDMXPGDPA-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187585;MM187585;CC1=CC(C#N)=CC1O;OPHAXCCABZNLMY-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187586;MM187586;C=CC1=CC(F)C(C)=C1;XBBXJZNSHHSBCE-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187587;MM187587;CC1=CC(C=O)=CC1F;BNCUNCZDDQTSCF-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187588;MM187588;CC1=CC(C#N)=CC1F;VNYKHADZYHQIBI-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187589;MM187589;C=CC1=CC(C)C(F)=C1;TZXYGQRBAGLOJJ-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187590;MM187590;CC1C=C(C=O)C=C1F;OQFMPCPWVHJECV-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187591;MM187591;CC1C=C(C#N)C=C1F;NIURDUNZDVGGMQ-UHFFFAOYSA-N;123.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187592;MM187592;C=CC1=CC(O)C(F)=C1;XZKFCIBJXQCCDP-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187593;MM187593;O=CC1=CC(O)C(F)=C1;PNBOSBDGIXQKJR-UHFFFAOYSA-N;128.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187594;MM187594;N#CC1=CC(O)C(F)=C1;FCSZKDBQTJRPIL-UHFFFAOYSA-N;125.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187595;MM187595;C=Cc1cc(C)n(C)c1;QFMBVONZHVWIJT-UHFFFAOYSA-N;121.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187596;MM187596;Cc1cc(C=O)cn1C;ABWWGNMNVQFPPX-UHFFFAOYSA-N;123.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187597;MM187597;Cc1cc(C#N)cn1C;SMEUSSLSLVISEV-UHFFFAOYSA-N;120.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187598;MM187598;C=Cc1cc(C)n(N)c1;NNMPYJSOYJNLNK-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187599;MM187599;C=Cc1cc(C)n(O)c1;PHAKWTHOKKNLHG-UHFFFAOYSA-N;123.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187600;MM187600;Cc1cc(C=O)cn1O;QXJKXNIYEHXPID-UHFFFAOYSA-N;125.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187601;MM187601;Cc1cc(C#N)cn1O;VUQXTMWBNOGFFA-UHFFFAOYSA-N;122.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187602;MM187602;C=Cc1cc(N)n(C)c1;QNUNUGRPCBWZBQ-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187603;MM187603;Cn1cc(C=O)cc1N;ZDJJDBZUZLZSKN-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187604;MM187604;Cn1cc(C#N)cc1N;OAZQYILEWTZDER-UHFFFAOYSA-N;121.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187605;MM187605;C=Cc1cc(N)n(N)c1;DSOWZXASBCNBNB-UHFFFAOYSA-N;123.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187606;MM187606;C=Cc1cc(N)n(O)c1;CYQZLBRLZWVONX-UHFFFAOYSA-N;124.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187607;MM187607;Nc1cc(C=O)cn1O;KNFTYPIUTQHDNW-UHFFFAOYSA-N;126.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187608;MM187608;N#Cc1cc(N)n(O)c1;KQZVOAPTSBIKIM-UHFFFAOYSA-N;123.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187609;MM187609;C=Cc1cc(O)n(C)c1;WXXHKXTYKZBMGR-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187610;MM187610;Cn1cc(C=O)cc1O;KFXWOZPLCLHGEO-UHFFFAOYSA-N;125.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187611;MM187611;Cn1cc(C#N)cc1O;FWXVFRPCLZQNIB-UHFFFAOYSA-N;122.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187612;MM187612;C=Cc1cc(O)n(N)c1;XDRWIQOCYMZDLM-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187613;MM187613;C=Cc1cc(O)n(O)c1;JUJHAEXBIUZFJS-UHFFFAOYSA-N;125.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187614;MM187614;O=Cc1cc(O)n(O)c1;IXQBDBWVUSZWDE-UHFFFAOYSA-N;127.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187615;MM187615;N#Cc1cc(O)n(O)c1;DVVJKAPJFVTQLM-UHFFFAOYSA-N;124.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187616;MM187616;C=Cc1cc(F)n(C)c1;YVOWIDZLCREOSY-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187617;MM187617;Cn1cc(C=O)cc1F;LBKRFBQMOXUQFM-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187618;MM187618;Cn1cc(C#N)cc1F;UQRGCGPDELHCTE-UHFFFAOYSA-N;124.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187619;MM187619;C=Cc1cc(F)n(N)c1;CKFGGWLAGVEJLG-UHFFFAOYSA-N;126.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187620;MM187620;C=Cc1cc(F)n(O)c1;MFUUQTWJDOIHFZ-UHFFFAOYSA-N;127.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187621;MM187621;O=Cc1cc(F)n(O)c1;HLDCZUNXFGKKAB-UHFFFAOYSA-N;129.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187622;MM187622;N#Cc1cc(F)n(O)c1;PHUNCXOPOVFPGF-UHFFFAOYSA-N;126.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187623;MM187623;C=Cc1cc(C)n(C)n1;DCKMWPIGVFJGFY-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187624;MM187624;Cc1cc(C=O)nn1C;XSGNECLIVOTMQJ-UHFFFAOYSA-N;124.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187625;MM187625;Cc1cc(C#N)nn1C;QJTFMFKUXJQSAO-UHFFFAOYSA-N;121.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187626;MM187626;C=Cc1cc(C)n(N)n1;QSHCZZDIUARMBL-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187627;MM187627;C=Cc1cc(C)n(O)n1;RSFWDTCJUNTQCA-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187628;MM187628;Cc1cc(C=O)nn1O;AHDDYSKOIRROGB-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187629;MM187629;Cc1cc(C#N)nn1O;KAXLXWIROQXJES-UHFFFAOYSA-N;123.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187630;MM187630;C=Cc1cc(N)n(C)n1;YXLXHBUGTXVRAN-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187631;MM187631;Cn1nc(C=O)cc1N;FUBHCMUWXPSRLK-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187632;MM187632;C=Cc1cc(N)n(N)n1;YEKRWNDKAKXOSU-UHFFFAOYSA-N;124.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187633;MM187633;C=Cc1cc(N)n(O)n1;RKJSKGAHKUWRHO-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187634;MM187634;O=c1nccc(F)n1O;LYKFSKKEPAIQHE-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187635;MM187635;C#Cc1nc(=O)n(O)[nH]1;WZIQAAKMJQPDHZ-UHFFFAOYSA-N;125.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187636;MM187636;Cn1[nH]c(=O)c(F)c1O;OOERFRJRMGBZOW-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187637;MM187637;O=c1cc(O)n(O)o1;BPKCXLKQWVQGKI-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187638;MM187638;N#Cc1occ(C=O)c1O;GRWYBMFACDJINW-UHFFFAOYSA-N;137.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187639;MM187639;Nc1c(O)oc(F)c1O;OCABGYUUCBOXAO-UHFFFAOYSA-N;133.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187640;MM187640;N=c1[nH]oc(=O)c(=O)n1O;VJMKEXYCYYCVJZ-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187641;MM187641;C=Cc1cc(F)n(C)n1;QEILYIGIOPXQQF-UHFFFAOYSA-N;126.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187642;MM187642;Cn1nc(C=O)cc1F;LOOMIRHOCGXFNN-UHFFFAOYSA-N;128.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187643;MM187643;Cn1nc(C#N)cc1F;KBHIGXAIMRUDJI-UHFFFAOYSA-N;125.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187644;MM187644;C=Cc1cc(F)n(N)n1;CDPADCLRLPGQAY-UHFFFAOYSA-N;127.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187645;MM187645;CC(=O)OCC(C=O)=NO;MWXHTEZABNMGAE-UHFFFAOYSA-N;145.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187646;MM187646;CNc1noc(=O)n1O;OJIYLOGNJZMYAB-UHFFFAOYSA-N;131.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187647;MM187647;C=Cc1cn(C)c(C)n1;PCUWDWDYSMMQGK-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187648;MM187648;Cc1nc(C=O)cn1C;MDHCPCYBLAMKAG-UHFFFAOYSA-N;124.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187649;MM187649;Cc1nc(C#N)cn1C;DEVNETUWQSPIRE-UHFFFAOYSA-N;121.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187650;MM187650;C=Cc1cn(N)c(C)n1;IHGSKGRZVMERSR-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187651;MM187651;Cc1c[nH]c(CF)n1;RAHVGIYQRZDJLZ-UHFFFAOYSA-N;114.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187652;MM187652;Cc1nc(C=O)cn1O;NYUVKTNQPYLPSL-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187653;MM187653;Cc1nc(C#N)cn1O;KRCQIRFARTWMPV-UHFFFAOYSA-N;123.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187654;MM187654;Cn1cc(C#N)nc1N;YJFVJRSOTFLBCF-UHFFFAOYSA-N;122.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187655;MM187655;CC#Cc1c[nH]cn1;TZANCTPCKUJAIE-UHFFFAOYSA-N;106.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187656;MM187656;N#Cc1cn(O)c(N)n1;INACEBDWKVCIAC-UHFFFAOYSA-N;124.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187657;MM187657;CN(C=NC=N)NC=O;PESPASCMNVSAHS-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187658;MM187658;Cn1cc(C=O)nc1O;NLFBHFPLOSUOBS-UHFFFAOYSA-N;126.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187659;MM187659;Cn1cc(C#N)nc1O;GSFHWVHDUBXPNH-UHFFFAOYSA-N;123.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187660;MM187660;C=Cc1cn(N)c(O)n1;CYQGIYQGIXGRNU-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187661;MM187661;C=Cc1cn(O)c(O)n1;DBJJWYPBLBBLNA-UHFFFAOYSA-N;126.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187662;MM187662;N#Cc1cn(O)c(O)n1;YSFBHCOYRKARAK-UHFFFAOYSA-N;125.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187663;MM187663;C=Cc1nc(C)n(C)n1;JLTXMODUPVONTL-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187664;MM187664;Cc1nc(C=O)nn1C;AGKOXOJEFOCGCX-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187665;MM187665;Cc1nc(C#N)nn1C;NFRPZRQUCFTDOC-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187666;MM187666;C=Cc1nc(C)n(N)n1;KYGYMSIIKSUEOB-UHFFFAOYSA-N;124.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187667;MM187667;C=Cc1nc(N)n(C)n1;VMRNFNNQEQXZSB-UHFFFAOYSA-N;124.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187668;MM187668;Cn1nc(C=O)nc1N;CXPHONQKRQRZNS-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187669;MM187669;C=CCN(N)C(=O)CO;NXJVESHIOAZRMK-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187670;MM187670;Cn1nc(F)c(=N)n1O;NBPYVUXUDDLVDZ-UHFFFAOYSA-N;132.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187671;MM187671;Cn1cnnc[nH]c(=O)o1;CHEUSPVQRJXBBS-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187672;MM187672;O=COCC(CO)=NO;RJBITEUOGNBAET-UHFFFAOYSA-N;133.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187673;MM187673;CC#CC(O)(C=NO)CF;QGOYULINXSKCAG-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187674;MM187674;CCC#CC(F)C=NO;LLZTXFGYNFZNIN-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187675;MM187675;CC=CN=CNC(=O)C#N;SHBZSGJCMMCFQW-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187676;MM187676;C#CC1=CC(C)C(C)=C1;DGDCZLIYHWOKJZ-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187677;MM187677;C#CC1=CC(N)C(C)=C1;ATBMGEGNPNNYOU-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187678;MM187678;C#CC1=CC(O)C(C)=C1;SIWZDWLXQGJOGR-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187679;MM187679;C#CC1=CC(F)C(C)=C1;HGCOJPXCXFVOKP-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187680;MM187680;C#CC1=CC(C)C(F)=C1;KPRULFGXCAWJNY-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187681;MM187681;C#CC1=CC(O)C(F)=C1;FGRAAQGRQSPGNR-UHFFFAOYSA-N;124.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187682;MM187682;C#Cc1cc(C)n(C)c1;RVEJKELYJXGWPW-UHFFFAOYSA-N;119.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187683;MM187683;C#Cc1cc(C)n(N)c1;YPQQKDMWCDMHDK-UHFFFAOYSA-N;120.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187684;MM187684;C#Cc1cc(C)n(O)c1;FDEIMAXKBRPQNL-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187685;MM187685;C#Cc1cc(N)n(C)c1;AKYXYLJTPZAEKI-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187686;MM187686;C#Cc1cc(N)n(N)c1;DCDJSQJZLYEYLY-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187687;MM187687;C#Cc1cc(N)n(O)c1;QNAMADOGBGBAAG-UHFFFAOYSA-N;122.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187688;MM187688;C#Cc1cc(O)n(C)c1;OOXSSDZELHKNAC-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187689;MM187689;C#Cc1cc(O)n(N)c1;HPCWLXGWADMCCL-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187690;MM187690;C#Cc1cc(O)n(O)c1;AWNBPYHRSQXCLV-UHFFFAOYSA-N;123.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187691;MM187691;C#Cc1cc(F)n(C)c1;QKYSLAKNQYGMLO-UHFFFAOYSA-N;123.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187692;MM187692;C#Cc1cc(F)n(N)c1;IKFDLWVEWHDRHY-UHFFFAOYSA-N;124.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187693;MM187693;C#Cc1cc(F)n(O)c1;MEQZNTWOZUVIMV-UHFFFAOYSA-N;125.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187694;MM187694;C#Cc1cc(C)n(C)n1;MYFMCLJOACHARE-UHFFFAOYSA-N;120.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187695;MM187695;C#Cc1cc(C)n(N)n1;JEGMEZQAIYBZQB-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187696;MM187696;C#Cc1cc(C)n(O)n1;YIMWCLVQFVZJLT-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187697;MM187697;C#Cc1cc(N)n(C)n1;DDYKMWLRVGTQAS-UHFFFAOYSA-N;121.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187698;MM187698;C#Cc1cc(N)n(N)n1;PAVHZTIJQLPUEU-UHFFFAOYSA-N;122.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187699;MM187699;C#Cc1cc(N)n(O)n1;AGEXDUUWXUXRPW-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187700;MM187700;CCc1oc(=O)n(N)c1O;JQFVPBXWWDXMPW-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187701;MM187701;Cn1c(O)nc(=NO)n1O;NMTGYRLXUIKCLO-UHFFFAOYSA-N;146.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187702;MM187702;Cc1[nH]nc(N)c1O;LYNWNTWVDVQYBS-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187703;MM187703;C#Cc1cc(F)n(C)n1;GSEJATOHCXCVDO-UHFFFAOYSA-N;124.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187704;MM187704;C#Cc1cc(F)n(N)n1;VUDJHYOTXBPNIO-UHFFFAOYSA-N;125.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187705;MM187705;C#Cc1cn(C)c(C)n1;AILBEPXHHUFGJT-UHFFFAOYSA-N;120.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187706;MM187706;C#Cc1cn(N)c(C)n1;SAIATUFXPJSTHP-UHFFFAOYSA-N;121.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187707;MM187707;Cc1[nH]c(N=N)cc1F;JHLJERJVYFQXMF-UHFFFAOYSA-N;127.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187708;MM187708;C#Cc1cn(N)c(N)n1;URLAULFOMVULIB-UHFFFAOYSA-N;122.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187709;MM187709;NN=c1occ(N)n1O;OPLHIRSWGFANLV-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187710;MM187710;C#Cc1cn(C)c(O)n1;PWYRGGXHKJECCN-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187711;MM187711;C#Cc1cn(N)c(O)n1;TYKCPRKFJWZYHB-UHFFFAOYSA-N;123.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187712;MM187712;C#Cc1cn(O)c(O)n1;YZCKIDAHRCZZKV-UHFFFAOYSA-N;124.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187713;MM187713;C#Cc1nc(C)n(C)n1;FTNHXKNKQUPYCU-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187714;MM187714;C#Cc1nc(C)n(N)n1;RNUWPSAKSSIUEA-UHFFFAOYSA-N;122.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187715;MM187715;C#Cc1nc(N)n(C)n1;XVHFHBISHWGWAZ-UHFFFAOYSA-N;122.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187716;MM187716;O=CC(O)CCN1CC1;QFCWGFUKMNRAFS-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187717;MM187717;N=c1c(N)nnc(O)n1N;VTAVUHMURBMSKK-UHFFFAOYSA-N;142.12;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187718;MM187718;C=C1C=C(CC)C=C1C;VAGSBVYWXJJLSY-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187719;MM187719;C=C1C=C(CN)C=C1C;KPMILKJOCNNMLR-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187720;MM187720;C=C1C=C(CO)C=C1C;SZKAQGGUJUTORJ-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187721;MM187721;C=C1C=C(CF)C=C1C;DQHXXDZNCKHGNB-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187722;MM187722;CCC1=CC(=O)C(C)=C1;MPGFXXBDVJEMES-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187723;MM187723;CC1=CC(CO)=CC1=O;AWWQEGKBVOFMJP-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187724;MM187724;CC1=CC(CF)=CC1=O;HLFQFDORPBAGHJ-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187725;MM187725;C=C1C=C(CC)C=C1F;MEIDVOGJFKZVJG-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187726;MM187726;C=C1C=C(CN)C=C1F;QUUXIPVGJLWYRF-UHFFFAOYSA-N;125.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187727;MM187727;C=C1C=C(CO)C=C1F;RZKNESVJCBHLJP-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187728;MM187728;C=C1C=C(CF)C=C1F;SDAIGNRSUQQOFN-UHFFFAOYSA-N;128.12;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187729;MM187729;CCC1=CC(=O)C(F)=C1;QUUUEGRCDLKTEW-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187730;MM187730;O=C1C=C(CO)C=C1F;JABOGOWIJHJTSW-UHFFFAOYSA-N;128.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187731;MM187731;O=C1C=C(CF)C=C1F;PPMVIROBGTVKMV-UHFFFAOYSA-N;130.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187732;MM187732;CNC1=CC(=O)C(C)=C1;KLJKQSKXGSVTQL-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187733;MM187733;CNC1=CC(=O)C(F)=C1;RFWQWTOVNRMMDM-UHFFFAOYSA-N;127.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187734;MM187734;C=C1C=C(OC)C=C1C;OYTDNAMAGLXVRX-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187735;MM187735;COC1=CC(=O)C(C)=C1;DKMWKPHNOANRPP-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187736;MM187736;C=C1C=C(OC)C=C1F;WEJRHJQFFDJDJT-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187737;MM187737;COC1=CC(=O)C(F)=C1;LERXBSMSPVSPRE-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187738;MM187738;CC1=CC(CN)=NC1=N;YAWRXEJIYGXFDO-UHFFFAOYSA-N;123.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187739;MM187739;CC(C)(C)N(N)C(=O)CO;ZWOUOSDGFVVZQF-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187740;MM187740;CC1=CC(CF)=NC1=N;GFSPBXCTRSEHJO-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187741;MM187741;CCC1=NC(=O)C(C)=C1;OMXBRAPPTPHAML-UHFFFAOYSA-N;123.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187742;MM187742;CC1=CC(CN)=NC1=O;HFYFIOYQJMUNPR-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187743;MM187743;CC1=CC(CO)=NC1=O;CTSYFFHAMQGSCL-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187744;MM187744;CC1=CC(CF)=NC1=O;XOGJBKPCNFOXRY-UHFFFAOYSA-N;127.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187745;MM187745;CC#CC(O)CC(C)=NN;IHBPFRXAAAFWNA-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187746;MM187746;N=C1C=C(CN)NC1=O;WVMWGZGFNDFPOJ-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187747;MM187747;NN(CC(F)F)C(=O)CO;UKORMYBXACLFDN-UHFFFAOYSA-N;154.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187748;MM187748;N=C1C=C(CF)NC1=O;HAMKSXITPCDGBY-UHFFFAOYSA-N;128.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187749;MM187749;CCC1=NC(=N)C(F)=C1;FJDGCRHJARTVAQ-UHFFFAOYSA-N;126.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187750;MM187750;N=C1N=C(CN)C=C1F;FTUDYJGEKXGRAI-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187751;MM187751;C=C(F)CN(N)C(=O)CO;KEPQKJRTEOENQQ-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187752;MM187752;N=C1N=C(CF)C=C1F;GAYHFFRDHNWGEV-UHFFFAOYSA-N;130.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187753;MM187753;CCC1=NC(=O)C(F)=C1;OPQRLPZOGXPHBU-UHFFFAOYSA-N;127.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187754;MM187754;NCC1=NC(=O)C(F)=C1;CENIJDWBANNXCK-UHFFFAOYSA-N;128.11;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187755;MM187755;O=C1N=C(CO)C=C1F;JUGRFRLXPVIOSX-UHFFFAOYSA-N;129.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187756;MM187756;O=C1N=C(CF)C=C1F;CQYBZIWBFSGLFP-UHFFFAOYSA-N;131.08;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187757;MM187757;COC1=NC(=N)C(C)=C1;NLPKLMQEGYXNDC-UHFFFAOYSA-N;124.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187758;MM187758;COC1=NC(=O)C(C)=C1;WMXZWEAETRSKIA-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187759;MM187759;COC1=NC(=O)C(N)=C1;ZTKGTODOMFEDLI-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187760;MM187760;COC1=NC(=N)C(F)=C1;RZKFQOPRFKGMDT-UHFFFAOYSA-N;128.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187761;MM187761;COC1=NC(=O)C(F)=C1;PBTIOCYCOUQXOZ-UHFFFAOYSA-N;129.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187762;MM187762;C=C(C)NC(=O)C(=N)NN;QPSHAMPPHDXPQJ-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187763;MM187763;CC1=NC(CF)=CC1=O;BCXAPOOCUPWDJV-UHFFFAOYSA-N;127.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187764;MM187764;COCON=CCC(N)=O;LPFKYADENQDIFZ-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187765;MM187765;COC1=CC(=O)C(C)=N1;NZSKUBBVMJXTQR-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187766;MM187766;CCC1=NC(=N)C(C)=N1;KKMLATXJQNGUMA-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187767;MM187767;N#CCON=CCC(N)=O;JEDUCWJGYNPSQS-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187768;MM187768;CC1=NC(CF)=NC1=N;ULNRDOHYUUTAJA-UHFFFAOYSA-N;127.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187769;MM187769;CCC1=NC(=O)C(C)=N1;KQENTOMQFDFWKF-UHFFFAOYSA-N;124.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187770;MM187770;CC1=NC(CO)=NC1=O;HQNDSZCTVCKBJG-UHFFFAOYSA-N;126.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187771;MM187771;CC1=NC(CF)=NC1=O;DHOQCPKFUVWAFH-UHFFFAOYSA-N;128.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187772;MM187772;NC(=O)CC=NN=CNO;DNBVCAIBDPXJTD-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187773;MM187773;CCC(C)C=CC(=O)NN;JFNAYJDIOCLBLK-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187774;MM187774;CC(O)C#CC(CO)=NN;ADNBCKNBJPTTBV-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187775;MM187775;CCC(C)N(N)C(=O)CO;WFSZEZMWQJOJQT-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187776;MM187776;CC1=NC(NO)=NC1=O;BLALYQZICFAASZ-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187777;MM187777;COC1=NC(=N)C(C)=N1;AGJSVVBXYJDFFK-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187778;MM187778;COC1=NC(=O)C(C)=N1;YFBHXPBEZRSSII-UHFFFAOYSA-N;126.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187779;MM187779;C=CC1=CC(=C)C(C)=C1;AFXCEWMEZDRFLJ-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187780;MM187780;C=C1C=C(C=O)C=C1C;UVSSDTSTRILOJS-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187781;MM187781;C=C1C=C(C#N)C=C1C;AGDWGXNIELZWDH-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187782;MM187782;C=CC1=CC(=O)C(C)=C1;GFQMPIYKDCICDA-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187783;MM187783;CC1=CC(C=O)=CC1=O;DBDMJUKJEBLEDI-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187784;MM187784;CC1=CC(C#N)=CC1=O;HPHFDTJLKVHQCE-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187785;MM187785;C=CC1=CC(=C)C(F)=C1;BJLYQOBOLVLEGU-UHFFFAOYSA-N;122.14;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187786;MM187786;C=C1C=C(C=O)C=C1F;WTXDNNAEPJKWCI-UHFFFAOYSA-N;124.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187787;MM187787;C=C1C=C(C#N)C=C1F;KAJZBIHJKIUTJM-UHFFFAOYSA-N;121.11;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187788;MM187788;C=CC1=CC(=O)C(F)=C1;QQOQPBSIPYIDMM-UHFFFAOYSA-N;124.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187789;MM187789;O=CC1=CC(=O)C(F)=C1;GODLKTJMFDHZBJ-UHFFFAOYSA-N;126.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187790;MM187790;N#CC1=CC(=O)C(F)=C1;SKNFTNZXUQAFKK-UHFFFAOYSA-N;123.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187791;MM187791;C=CC1=NC(=N)C(C)=C1;AAJXWFPCOSPYLL-UHFFFAOYSA-N;120.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187792;MM187792;CC1=CC(C=O)=NC1=N;TVFGOWJGWAPOPA-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187793;MM187793;CC1=CC(C#N)=NC1=N;CPLPKAQCGROWCI-UHFFFAOYSA-N;119.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187794;MM187794;C=CC1=NC(=O)C(C)=C1;CTOMVXVQICFFCL-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187795;MM187795;CC1=CC(C=O)=NC1=O;HLEHWBAMDCEUKL-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187796;MM187796;CC1=CC(C#N)=NC1=O;KEGCDNVWVXWUHZ-UHFFFAOYSA-N;120.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187797;MM187797;CCN(C)N(C)C(=O)CO;SHTJBMMPHLEQDX-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187798;MM187798;C=CC(=N)N(C)C(=O)CO;JUVZZLGZVSGRSP-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187799;MM187799;CCCCN(N)C(=O)CO;WEUBGTVYCYVBIK-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187800;MM187800;N=C1C=C(C=O)NC1=O;PEIZAFWFSZHCHX-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187801;MM187801;C=CCc1nc(=NN)o[nH]1;KDJOKBVEZFCSGS-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187802;MM187802;C=CC1=NC(=N)C(F)=C1;VGIREPPAFHFWEG-UHFFFAOYSA-N;124.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187803;MM187803;N=C1N=C(C=O)C=C1F;WHQLWJCBBJJWGD-UHFFFAOYSA-N;126.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187804;MM187804;N#CC1=NC(=N)C(F)=C1;JMCZCPBOTYPRRY-UHFFFAOYSA-N;123.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187805;MM187805;C=CC1=NC(=O)C(F)=C1;OQDJHSOZCKSEAM-UHFFFAOYSA-N;125.1;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187806;MM187806;O=CC1=NC(=O)C(F)=C1;BUTVQDULSISXAF-UHFFFAOYSA-N;127.07;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187807;MM187807;N#CC1=NC(=O)C(F)=C1;LRHFZHXYHLCLCG-UHFFFAOYSA-N;124.07;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187808;MM187808;C=CC1=CC(=O)C(C)=N1;XJRCRYMXPBSCDE-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187809;MM187809;CC1=NC(C=O)=CC1=O;STJMVEHTMQJQHT-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187810;MM187810;CC1=NC(C#N)=CC1=O;GCIAFEOGYULDCH-UHFFFAOYSA-N;120.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187811;MM187811;C=CC1=NC(=N)C(C)=N1;BFQVMTUNWVDUHO-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187812;MM187812;CC1=NC(C=O)=NC1=N;IVRZYSYWOFNNRH-UHFFFAOYSA-N;123.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187813;MM187813;CC1=NC(C#N)=NC1=N;FXPRDAWESTXHCB-UHFFFAOYSA-N;120.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187814;MM187814;C=CC1=NC(=O)C(C)=N1;FYICPYMEDIZAMA-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187815;MM187815;CC1=NC(C=O)=NC1=O;SZAWRMLCRGXFCR-UHFFFAOYSA-N;124.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187816;MM187816;CC1=NC(C#N)=NC1=O;RPTKIVBWMMVGOZ-UHFFFAOYSA-N;121.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187817;MM187817;C#CC1=CC(=C)C(C)=C1;IMQYRHGQEUOINE-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187818;MM187818;C#CC1=CC(=O)C(C)=C1;JCKUJEFRYANIHM-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187819;MM187819;C#CC1=CC(=C)C(F)=C1;ULQCGESMEMXEDS-UHFFFAOYSA-N;120.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187820;MM187820;C#CC1=CC(=O)C(F)=C1;BHZIYUOWCBCROB-UHFFFAOYSA-N;122.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187821;MM187821;C#CC1=NC(=N)C(C)=C1;PSBMCISUWPINSD-UHFFFAOYSA-N;118.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187822;MM187822;C#CC1=NC(=O)C(C)=C1;FSXJRDGMWPGIOH-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187823;MM187823;C#CC1=CC(=N)C(=O)N1;VMPWFBFQGKUFAP-UHFFFAOYSA-N;120.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187824;MM187824;C#CC1=NC(=N)C(F)=C1;YREBPHSWHAHQQA-UHFFFAOYSA-N;122.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187825;MM187825;C#CC1=NC(=O)C(F)=C1;CSEDFGODJHSXFS-UHFFFAOYSA-N;123.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187826;MM187826;C#CC1=CC(=O)C(C)=N1;DWSKKMXKAAKBFC-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187827;MM187827;C#CC1=NC(=N)C(C)=N1;YWGCXXHWUOUCGL-UHFFFAOYSA-N;119.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187828;MM187828;C#CC1=NC(=O)C(C)=N1;PBVMABOHCIBACE-UHFFFAOYSA-N;120.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187829;MM187829;CCC1CC(C)=C(C)C1;ZIWHIGZRVFGOIH-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187830;MM187830;CC1=C(C)CC(CN)C1;FLMXBSRCLMXUFK-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187831;MM187831;COCCN(N)C(=O)CO;RLKISUNDWLZOSO-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187832;MM187832;CC1=C(C)CC(CF)C1;NXRYEHNNKUVOSQ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187833;MM187833;CCC1CC(C)=C(F)C1;IYDSWSYKBSSDML-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187834;MM187834;CC1=C(F)CC(CN)C1;FFQSZKFDSUGTGK-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187835;MM187835;CC1=C(F)CC(CO)C1;XVNUDEHUJBSHAV-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187836;MM187836;CC1=C(F)CC(CF)C1;OTPDZIMEQXHXKL-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187837;MM187837;CCC1CC(F)=C(F)C1;IMZDAIGJJDIJQJ-UHFFFAOYSA-N;132.15;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187838;MM187838;NCC1CC(F)=C(F)C1;WEVICMDJHKCCCM-UHFFFAOYSA-N;133.14;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187839;MM187839;OCC1CC(F)=C(F)C1;GJWSAPMUHWQTRN-UHFFFAOYSA-N;134.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187840;MM187840;FCC1CC(F)=C(F)C1;XKGKMANSRPNXHX-UHFFFAOYSA-N;136.12;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187841;MM187841;CNC1CC(C)=C(C)C1;LDBGUKJQKLKCNL-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187842;MM187842;CNC1CC(C)=C(F)C1;OXUVRJDCYZKLFO-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187843;MM187843;CNC1CC(F)=C(F)C1;HWHMWRLDUNIDAW-UHFFFAOYSA-N;133.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187844;MM187844;COC1CC(C)=C(C)C1;BTHNTSHHGRZTHG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187845;MM187845;COC1CC(C)=C(F)C1;SVJPESCYAJXCBX-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187846;MM187846;CCC1CC(C)=C(C)O1;HANZXGLXBNXLIV-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187847;MM187847;COC1CC(C)=C(C)O1;SXLCSRCIFAYKKQ-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187848;MM187848;COC1CC(F)=C(C)O1;XJIHXORYOLKOII-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187849;MM187849;CCN1CC(C)=C(C)C1;VESIHKWFQZLGDJ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187850;MM187850;CCN1CC(F)=C(F)C1;QMONOZTXAGWAQX-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187851;MM187851;C=CC1CC(C)=C(C)C1;FHFLQAHIZGDQRO-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187852;MM187852;CC1=C(C)CC(C=O)C1;MAQORFLEQGKFQC-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187853;MM187853;CC1=C(C)CC(C#N)C1;OOFWENDVAQDZNE-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187854;MM187854;C=CC1CC(C)=C(F)C1;WGGSTUPYMBCELT-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187855;MM187855;CC1=C(F)CC(C=O)C1;WXTXONAPSQHTGX-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187856;MM187856;CC1=C(F)CC(C#N)C1;OYLNNGYGRWPBQV-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187857;MM187857;C=CC1CC(F)=C(F)C1;LAPHVCLGHWASEO-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187858;MM187858;N#CC1CC(F)=C(F)C1;JEJYXKQKXIPMDF-UHFFFAOYSA-N;129.11;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187859;MM187859;C=CC1CC(C)=C(C)O1;JVIOLOMXQCEIAY-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187860;MM187860;CC1=C(C)OC(C=O)C1;QAOLHSNQRNOGEA-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187861;MM187861;CC1=C(C)OC(C#N)C1;XVNUFNFFPBKXJX-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187862;MM187862;CC1=C(F)CC(C#N)O1;WCCOYBRHHGTDNH-UHFFFAOYSA-N;127.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187863;MM187863;C=CC1OC(C)=C(C)O1;KFHGWFRKTYRVDP-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187864;MM187864;CC1=C(C)OC(C#N)O1;DQFUJDUEGIXZMX-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187865;MM187865;CC1=C(C)CN(C=N)C1;RRWGOXAKSUUODH-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187866;MM187866;CC1=C(C)CN(C=O)C1;HHKYDPZQWZKKQC-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187867;MM187867;CC1=C(F)CN(C=N)C1;XXHVCAFLWMVVRK-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187868;MM187868;CC1=C(F)CN(C=O)C1;KDGROSISASULID-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187869;MM187869;N=CN1CC(F)=C(F)C1;QAYWRRCICCMUGO-UHFFFAOYSA-N;132.11;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187870;MM187870;O=CN1CC(F)=C(F)C1;FOHXTBIKXNPHCB-UHFFFAOYSA-N;133.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187871;MM187871;C=NN1CC(C)=C(C)C1;MHEBFLIKFJXTCM-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187872;MM187872;C=NN1CC(C)=C(F)C1;MMZNEBLINCFZOT-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187873;MM187873;C=NN1CC(F)=C(F)C1;SXNOVVRNPRZRDU-UHFFFAOYSA-N;132.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187874;MM187874;C#CC1CC(C)=C(C)C1;SEBYKEWOYKYHMP-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187875;MM187875;C#CC1CC(C)=C(F)C1;QCKAVAPXLWEKNT-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187876;MM187876;C#CC1CC(F)=C(F)C1;KIPOUQBIQYBTBM-UHFFFAOYSA-N;128.12;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187877;MM187877;C#CC1CC(C)=C(C)O1;JQXGKQGXUGDKGJ-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187878;MM187878;C#CC1CC(F)=C(C)O1;JARZUQSLVKOUOA-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187879;MM187879;C#CC1OC(C)=C(C)O1;OIVKPFMZKBQARH-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187880;MM187880;CC=C1CC(C)=C(C)C1;IPDVHYKKOOKKJW-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187881;MM187881;CC1=C(C)CC(=CF)C1;DVTYXYBBOVYFEN-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187882;MM187882;CC=C1CC(C)=C(F)C1;DAMLOCCBEAGWPY-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187883;MM187883;CC1=C(F)CC(=CF)C1;RCXHMKVSDJKKCD-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187884;MM187884;CC=C1CC(F)=C(F)C1;QPDCYKLDIWXDHA-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187885;MM187885;FC=C1CC(F)=C(F)C1;GWNQNUDBNOVMGD-UHFFFAOYSA-N;134.1;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187886;MM187886;CC1=C(C)CC(=NN)C1;BEJXXEDKTZRPCA-UHFFFAOYSA-N;124.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187887;MM187887;CC1=C(C)CC(=NO)C1;XRUZWPNNZMNCLI-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187888;MM187888;CC=CCN(N)C(=O)CO;GOVXEEFEDAAEGG-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187889;MM187889;CC1=C(F)CC(=NO)C1;UBZNJVQYHATMSY-UHFFFAOYSA-N;129.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187890;MM187890;C=NNCC(O)C(C)=NN;OUEZEAWVCGNBGB-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187891;MM187891;ON=C1CC(F)=C(F)C1;XOLJARUPMZLIKZ-UHFFFAOYSA-N;133.1;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187892;MM187892;CN=C1CC(C)=C(C)N1;SXKQTSOBMSFBBO-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187893;MM187893;CC1=C(C)N=C(NN)C1;CEFBGHZEIPUFQV-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187894;MM187894;N#CCNCCC(O)C=O;HRGJLPWOIMYBJN-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187895;MM187895;CC1=C(F)CC(=NO)N1;DWMZXTRQDUVVQR-UHFFFAOYSA-N;130.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187896;MM187896;CC=C1CC(C)=C(C)O1;BLTJIEPVRNWUCQ-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187897;MM187897;CC1=C(C)OC(=CF)C1;NEXYEUZQPCMRRV-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187898;MM187898;CC=C1CC(F)=C(C)O1;YZULRPIRVXSGKU-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187899;MM187899;CC1=C(F)CC(=CF)O1;FKFACEAOALIIKX-UHFFFAOYSA-N;132.11;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187900;MM187900;N#CCNC1CC1(O)CO;MGIJOKQSUCXJML-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187901;MM187901;CC1=C(C)OC(=NO)C1;ZXEMISYEDHZXTD-UHFFFAOYSA-N;127.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187902;MM187902;C=CCN(NC)C(=O)CO;CJOKYYUSUKOKEN-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187903;MM187903;CC1=C(F)CC(=NO)O1;FVGCSXYWDUUVHJ-UHFFFAOYSA-N;131.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187904;MM187904;CN=c1[nH]c(C)c(C)[nH]1;BTFPSMHBCARRBC-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187905;MM187905;Cc1[nH]c(=NN)[nH]c1C;UVIIKLIUTUENOC-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187906;MM187906;CN=c1[nH]c(C)c(N)[nH]1;ANTMAWQYXKYRDL-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187907;MM187907;Cc1[nH]c(=NN)[nH]c1N;TXKXXVDNZNRYLZ-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187908;MM187908;CN=c1[nH]c(C)c(O)[nH]1;CECPWRTXSKNCQC-UHFFFAOYSA-N;127.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187909;MM187909;CN=c1[nH]c(C)c(F)[nH]1;JWJWEJMADJBNJU-UHFFFAOYSA-N;129.14;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187910;MM187910;Cc1[nH]c(=NO)[nH]c1F;NMODVUZYCRWVKB-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187911;MM187911;CN=c1[nH]c(N)c(N)[nH]1;ZEXZNVITVGQJLX-UHFFFAOYSA-N;127.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187912;MM187912;NN=c1[nH]c(N)c(N)[nH]1;QJEFCVFTGSDAHU-UHFFFAOYSA-N;128.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187913;MM187913;CN=c1[nH]c(N)c(O)[nH]1;TXFGCHYKYSVHNN-UHFFFAOYSA-N;128.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187914;MM187914;NN=c1[nH]c(N)c(O)[nH]1;KAZFQWHTZIXCPN-UHFFFAOYSA-N;129.12;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187915;MM187915;CNN(C(=O)CO)C(C)C;UHUMBLQLPXJXOK-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187916;MM187916;CN=c1[nH]c(N)c(F)[nH]1;LTVSJRYBJLJPLZ-UHFFFAOYSA-N;130.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187917;MM187917;Nc1[nH]c(=NO)[nH]c1F;CSMPQAOKYFLBFW-UHFFFAOYSA-N;132.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187918;MM187918;ON=c1[nH]c(O)c(O)[nH]1;HKNUWAUCGIEGBJ-UHFFFAOYSA-N;131.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187919;MM187919;Cn1c(F)c(O)nnc1=N;OHWHCEVKGKZHRX-UHFFFAOYSA-N;144.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187920;MM187920;Cc1[nH]c(=NN)oc1C;FORSHYXLKJSKAL-UHFFFAOYSA-N;127.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187921;MM187921;O=c1oc(CF)nn1O;KTVSWBRJDHGOAA-UHFFFAOYSA-N;134.07;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187922;MM187922;C=Cc1nn(O)c(=O)o1;GSRBIFUCWGTKJR-UHFFFAOYSA-N;128.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187923;MM187923;CC=Cc1nn(O)c(=O)o1;DSMJETMXODHCMJ-UHFFFAOYSA-N;142.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187924;MM187924;C=C(C)c1nn(O)c(=O)o1;JRUUOSKQOPLMTI-UHFFFAOYSA-N;142.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187925;MM187925;CN=c1[nH]c(N)c(C)o1;OOHOHCDBYBUJHT-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187926;MM187926;Cc1oc(=NO)[nH]c1N;JGIXTBGODCMKBK-UHFFFAOYSA-N;129.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187927;MM187927;CN=c1[nH]c(N)c(N)o1;ZYHLQWUXPLEOBA-UHFFFAOYSA-N;128.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187928;MM187928;Nc1[nH]c(=NO)oc1N;KJFKEVZRAPEHDX-UHFFFAOYSA-N;130.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187929;MM187929;NN=c1[nH]c(N)c(O)o1;PRESLVAKRHWKMB-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187930;MM187930;O=CC1CC(C=O)C1=O;QFWFHZUFPZSXPE-UHFFFAOYSA-N;126.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187931;MM187931;CC(O)c1nn(O)c(=O)o1;SIIWXXPPFVWMPX-UHFFFAOYSA-N;146.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187932;MM187932;O=c1oc(CO)nn1O;ZYLQNTWEEIWQJL-UHFFFAOYSA-N;132.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187933;MM187933;NC(=O)C(=NO)C(F)CO;JLXVDFKJHHZBKS-UHFFFAOYSA-N;150.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187934;MM187934;Cn1[nH]c(O)c(N)c1=O;IOIOZWFVDYKHCU-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187935;MM187935;N=c1c(=O)n(O)nnn1O;TUVWHESZUOWRTF-UHFFFAOYSA-N;145.08;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187936;MM187936;N=c1[nH]c(O)nc(=O)n1O;NEUQKNUNNFSBQE-UHFFFAOYSA-N;144.09;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187937;MM187937;N#CC(=O)C(O)C=NO;VQKZBXIDSAHCET-UHFFFAOYSA-N;128.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187938;MM187938;N=Nc1c[nH]c(=NO)o1;WKNAGOAOURBFFK-UHFFFAOYSA-N;128.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187939;MM187939;NN=COC(CF)=NO;UBNYXMILVNCXGS-UHFFFAOYSA-N;135.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187940;MM187940;Nn1cnn(O)c(=O)c1=O;WESITGQBCUPCCH-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187941;MM187941;Nn1cc(O)cn1;ZIEMGJXUJDKUEF-UHFFFAOYSA-N;99.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187942;MM187942;CCc1onnc(=N)c1O;MRJXFQDFNUAHNR-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187943;MM187943;Nc1nc(=O)n(O)[nH]1;FGSPXVZINORQIB-UHFFFAOYSA-N;116.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187944;MM187944;CONC(=O)CN(N)C=O;WEFYVUIJEWYWDM-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187945;MM187945;CCC(=N)NC(=O)C#N;PSVQSJBRYHGNCA-UHFFFAOYSA-N;125.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187946;MM187946;NN=c1on(N)c(=O)n1O;KIENLQWHFIZLRY-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187947;MM187947;C=Nn1ncc(O)c1O;CAGZMNKXNJFFQI-UHFFFAOYSA-N;127.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187948;MM187948;Cn1[nH]c(=NO)nc1O;WRYYVUQODHWABZ-UHFFFAOYSA-N;130.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187949;MM187949;CCC(=O)CC(=O)C=O;KXLMWINKDVAJKB-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187950;MM187950;CCC1=CC(C)=C(C)C1;SOTPYGVMMRUSAE-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187951;MM187951;CC1=C(C)CC(CN)=C1;CLGYQBTUTVMWGC-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187952;MM187952;CC1=C(C)CC(CO)=C1;ZRINRJKTKXWZKC-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187953;MM187953;CC1=C(C)CC(CF)=C1;HBLNPKIFKPEEJC-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187954;MM187954;CCC1=CC(F)=C(C)C1;AYVQDYCJAKGFLQ-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187955;MM187955;CC1=C(F)C=C(CN)C1;HUCGMDDBKOWFGZ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187956;MM187956;CC1=C(F)C=C(CO)C1;LXPQIUVQBGFUJY-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187957;MM187957;CC1=C(F)C=C(CF)C1;NNPNDLTXJHGNTN-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187958;MM187958;CCC1=CC(C)=C(F)C1;TVEMOSLVHDRKAD-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187959;MM187959;CC1=C(F)CC(CN)=C1;AXRHQONUMVTSPJ-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187960;MM187960;CC1=C(F)CC(CO)=C1;ZDXXNEUMUDTTFN-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187961;MM187961;CC1=C(F)CC(CF)=C1;PZHASBFCLBUIBR-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187962;MM187962;CCC1=CC(F)=C(F)C1;QCGJUZRWZQSRDI-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187963;MM187963;NCC1=CC(F)=C(F)C1;MMEGDFHPMDYEPA-UHFFFAOYSA-N;131.13;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187964;MM187964;OCC1=CC(F)=C(F)C1;XGWJXNXNZHCFNT-UHFFFAOYSA-N;132.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187965;MM187965;FCC1=CC(F)=C(F)C1;FBYYMFRIVGMABD-UHFFFAOYSA-N;134.1;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187966;MM187966;COC1=CC(C)=C(C)C1;BXBFQVCVLHCIEP-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187967;MM187967;COC1=CC(F)=C(C)C1;DZCNUDZCTFLVAD-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187968;MM187968;COC1=CC(C)=C(F)C1;PZIQVDCOUQBYKS-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187969;MM187969;COC1=CC(F)=C(F)C1;KCIGGIAFIHRCOA-UHFFFAOYSA-N;132.11;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187970;MM187970;CCc1cc(C)c(C)[nH]1;ACPZILYCGZFIQX-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187971;MM187971;Cc1cc(CN)[nH]c1C;YNWQMZXSKNCOCT-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187972;MM187972;Cc1cc(CO)[nH]c1C;VYQHSSQHMXYKNI-UHFFFAOYSA-N;125.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187973;MM187973;Cc1cc(CF)[nH]c1C;WQHWTMZMNKFCJE-UHFFFAOYSA-N;127.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187974;MM187974;CCN(C(=O)CO)N(C)C;AEVVPMXGOHGDGL-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187975;MM187975;Cc1[nH]c(CN)cc1N;VMGOQQMRDYMDEW-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187976;MM187976;CC(O)C(=NN)OC=NN;QPJMHYGICRUBSJ-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187977;MM187977;C=CNC(=O)N(C=N)N=C;OWBRWNADBZZRFN-UHFFFAOYSA-N;140.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187978;MM187978;CCc1cc(F)c(C)[nH]1;JNIGCUPDKMAKJK-UHFFFAOYSA-N;127.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187979;MM187979;Cc1[nH]c(CN)cc1F;NTDSMUGFXLQRFC-UHFFFAOYSA-N;128.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187980;MM187980;Cc1[nH]c(CO)cc1F;PWTFQZYRDBSVMB-UHFFFAOYSA-N;129.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187981;MM187981;Cc1[nH]c(CF)cc1F;GTTWCOQQUXOHTC-UHFFFAOYSA-N;131.13;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187982;MM187982;CC=CC(O)C(C#N)NC;LUUDENZMPDZDPX-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187983;MM187983;Cc1cc(CN)[nH]c1N;BNVZTPSMGOVEGP-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187984;MM187984;N#CCC(O)C=NN1CC1;GPWWBHJRVCWQJJ-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187985;MM187985;Cn1nc(N)c(=NN)n1O;JYKZTWMHMBDFGV-UHFFFAOYSA-N;144.14;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187986;MM187986;CCc1cc(N)c(N)[nH]1;XVERYXWNTUEJGI-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187987;MM187987;NCc1cc(N)c(N)[nH]1;VTUNJWOWYUUFFT-UHFFFAOYSA-N;126.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187988;MM187988;CON=CCC(N)=O;UKBDZSMAPJKQPE-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187989;MM187989;NCc1cc(O)c(N)[nH]1;VXQDQKVHABISAH-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187990;MM187990;Nc1[nH]c(CO)cc1O;UZNJGLFVGYTLTI-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187991;MM187991;Nc1[nH]c(CF)cc1O;UFACBONWTRVCQG-UHFFFAOYSA-N;130.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187992;MM187992;CN(C=N)C(=O)CO;BSOFCNJHWVGYGN-UHFFFAOYSA-N;116.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187993;MM187993;NCc1cc(F)c(N)[nH]1;UQGNBTPPONUKHL-UHFFFAOYSA-N;129.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187994;MM187994;Nc1ncc(C=O)o1;YXFXNFGCDVMEBN-UHFFFAOYSA-N;112.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187995;MM187995;NN=CCC#CCO;UJIARQHYHDZLHI-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187996;MM187996;CCc1cc(C)c(O)[nH]1;NFEMVPQBQNAYAJ-UHFFFAOYSA-N;125.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187997;MM187997;Cc1cc(CN)[nH]c1O;PYBQAHVMZJPVBC-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187998;MM187998;Cc1cc(CO)[nH]c1O;IGDDELNEYAPKRN-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM187999;MM187999;Cc1cc(CF)[nH]c1O;MADGDXPSYXQFCU-UHFFFAOYSA-N;129.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188000;MM188000;CCc1cc(N)c(O)[nH]1;GBNNQNKUXBSMKH-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188001;MM188001;NCc1cc(N)c(O)[nH]1;DWQIWVXIXPAICS-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188002;MM188002;Nc1cc(CO)[nH]c1O;INLOLEKJOBEBTD-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188003;MM188003;Nc1cc(CF)[nH]c1O;FOHVKWKRUWARBB-UHFFFAOYSA-N;130.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188004;MM188004;CCc1cc(O)c(O)[nH]1;ORPFSQOGWBMZTL-UHFFFAOYSA-N;127.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188005;MM188005;OCc1cc(O)c(O)[nH]1;ZIAVDWLHMHCYFX-UHFFFAOYSA-N;129.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188006;MM188006;Oc1cc(CF)[nH]c1O;MZURVLVYOJHJCP-UHFFFAOYSA-N;131.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188007;MM188007;CCc1cc(F)c(O)[nH]1;ARWZRAPJRLICIG-UHFFFAOYSA-N;129.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188008;MM188008;OCc1cc(F)c(O)[nH]1;JKGZOYUTDYDQLN-UHFFFAOYSA-N;131.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188009;MM188009;CCc1cc(C)c(F)[nH]1;GZTMBIMCGOLINJ-UHFFFAOYSA-N;127.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188010;MM188010;Cc1cc(CN)[nH]c1F;RCQATENBLCQWOF-UHFFFAOYSA-N;128.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188011;MM188011;Cc1cc(CO)[nH]c1F;NCPNKWICNRSEPX-UHFFFAOYSA-N;129.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188012;MM188012;Cc1cc(CF)[nH]c1F;XKPAPSZNIUQBJT-UHFFFAOYSA-N;131.13;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188013;MM188013;CCc1cc(N)c(F)[nH]1;XMONCFQIEFRIAP-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188014;MM188014;NCc1cc(N)c(F)[nH]1;UQDJSOCBGFDVHO-UHFFFAOYSA-N;129.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188015;MM188015;Nc1cc(CO)[nH]c1F;BRBOZQMLSLFRQK-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188016;MM188016;Nc1cc(CF)[nH]c1F;DCDRVCFIUYOYKM-UHFFFAOYSA-N;132.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188017;MM188017;CCc1cc(O)c(F)[nH]1;AARFRJKCTQCPHY-UHFFFAOYSA-N;129.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188018;MM188018;CCc1cc(F)c(F)[nH]1;ACRJQMJDHLJIKD-UHFFFAOYSA-N;131.13;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188019;MM188019;NCc1cc(F)c(F)[nH]1;OWMFIZBMUZBZAF-UHFFFAOYSA-N;132.11;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188020;MM188020;OCc1cc(F)c(F)[nH]1;ABDSKCTYMRLTTC-UHFFFAOYSA-N;133.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188021;MM188021;FCc1cc(F)c(F)[nH]1;XYKLOZKMARRKQA-UHFFFAOYSA-N;135.09;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188022;MM188022;CCON=CCC(N)=O;VPQPXCXRUAYAMQ-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188023;MM188023;CC#CC(O)CC=NN;GSDKHMBLXNJEKH-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188024;MM188024;CC(CC#CCO)=NN;RYWVCRCDBHCHRD-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188025;MM188025;CNc1cc(N)c(N)[nH]1;NGIIBYVSQXQFJM-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188026;MM188026;CN=CN(C)C(=O)CO;ZISKGPUUCHAQEW-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188027;MM188027;C=CC(O)C(C)=NOC;NYBMXRUVORZSPY-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188028;MM188028;C=COC(=NN)C(C)O;BAPPPXOXXQARKR-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188029;MM188029;CNc1cc(O)c(O)[nH]1;SNQGFWKUIMNYOI-UHFFFAOYSA-N;128.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188030;MM188030;CNc1cc(F)c(O)[nH]1;RVFHQIYGRHRINS-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188031;MM188031;N=Cn1ncc(=N)n1O;VUTWDQSCDNJHJM-UHFFFAOYSA-N;127.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188032;MM188032;CNc1n[nH]c(F)c1C;HPBSORYWJXHOFA-UHFFFAOYSA-N;129.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188033;MM188033;CNc1cc(O)c(F)[nH]1;XALCATKIKBYVGL-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188034;MM188034;Cc1[nH]nc(NO)c1N;YMXIJOUUFCOOJZ-UHFFFAOYSA-N;128.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188035;MM188035;COc1cc(C)c(C)[nH]1;FGLVOWVBNSSHAQ-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188036;MM188036;C#Cc1[nH]nc(N)c1F;OLXGJZSYWJLKQW-UHFFFAOYSA-N;125.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188037;MM188037;COc1cc(F)c(C)[nH]1;USLVIYQOEWSPGW-UHFFFAOYSA-N;129.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188038;MM188038;C=CC(O)C(C#N)=CN;UYVVJPWEJAUCSM-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188039;MM188039;COc1cc(N)c(N)[nH]1;QKHJLUCQHAJLHB-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188040;MM188040;COc1cc(O)c(N)[nH]1;AJFHWYIOTRDFDG-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188041;MM188041;N=C(N)C(=O)CC(F)=CF;BJAYBLUFKPCLJQ-UHFFFAOYSA-N;148.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188042;MM188042;COc1cc(C)c(O)[nH]1;LZJKYOLDHYYSOA-UHFFFAOYSA-N;127.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188043;MM188043;COc1cc(N)c(O)[nH]1;APZXZTVNWBPGND-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188044;MM188044;COc1cc(O)c(O)[nH]1;SOZZKPKUXUWRJR-UHFFFAOYSA-N;129.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188045;MM188045;COc1cc(F)c(O)[nH]1;NBRWENMGZOVKQR-UHFFFAOYSA-N;131.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188046;MM188046;COc1cc(C)c(F)[nH]1;GCQIPPOLEUIRNM-UHFFFAOYSA-N;129.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188047;MM188047;COc1cc(N)c(F)[nH]1;VMORODZUWMKWGJ-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188048;MM188048;COc1cc(F)c(F)[nH]1;MGDQYLWYPHLRGI-UHFFFAOYSA-N;133.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188049;MM188049;CCC(CC(N)=O)=NOC;PYQFVECRXDOLCS-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188050;MM188050;C=C(C)OC(=NN)C(C)O;ZYABHVQPQDWURJ-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188051;MM188051;CCc1nc(C)c(N)[nH]1;ISYUPVBFHFWETF-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188052;MM188052;CN(C)N=CCC#CCO;HEJNLULYHHXPCQ-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188053;MM188053;CC#CC(O)CC=NNC;RWMLOTHFZVPLEV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188054;MM188054;Cc1[nH]c(CO)nc1O;UEOBQZYUTDFOCG-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188055;MM188055;Cc1[nH]c(CF)nc1O;GYTASRPSIXFORB-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188056;MM188056;CC#CC(O)CC=NOC;UMOFBPBRSXTKJH-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188057;MM188057;Cc1nc(CO)[nH]c1F;HKDVWNUSVZDODA-UHFFFAOYSA-N;130.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188058;MM188058;Cc1[nH]c(CF)nc1F;GUWBPSNWIOLNOX-UHFFFAOYSA-N;132.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188059;MM188059;CCc1nc(N)c(N)[nH]1;NHUKUIPQOLTAPX-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188060;MM188060;N#CC=C(N)CC#CCO;ZZEGMYVDKRTPMB-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188061;MM188061;C=NN(C=N)C=NC(N)=O;UPUDHTIIMMZRIB-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188062;MM188062;NN=CCC(O)C(F)CO;LWFSUZQELOPSTI-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188063;MM188063;Nc1[nH]c(CO)nc1F;AMGBJMXFJPDKRR-UHFFFAOYSA-N;131.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188064;MM188064;Nc1[nH]c(CF)nc1F;JLPYKXPLPJEVOQ-UHFFFAOYSA-N;133.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188065;MM188065;Cn1c(=NO)nn[nH]c1=O;XAOPZNMXRUFFBQ-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188066;MM188066;Nc1nc(=O)n(O)nc1F;VUZDNZKIXKSVAL-UHFFFAOYSA-N;146.08;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188067;MM188067;Cc1nn(O)c(=O)oc1=O;QKAIONJNWXHFRV-UHFFFAOYSA-N;144.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188068;MM188068;CNc1nc(C)c(C)[nH]1;BTFPSMHBCARRBC-UHFFFAOYSA-N;125.18;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188069;MM188069;CNc1nc(N)c(C)[nH]1;ANTMAWQYXKYRDL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188070;MM188070;CN(C=NC=N)C(=O)CO;PVAVVJGLHZWGEA-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188071;MM188071;CCCCC=CC(=O)NN;GAMUGDBTOWFBBD-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188072;MM188072;CNc1nc(C)c(N)[nH]1;ANTMAWQYXKYRDL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188073;MM188073;CNc1nc(N)c(N)[nH]1;ZEXZNVITVGQJLX-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188074;MM188074;Cn1ncc(=O)c(=N)n1O;IHUFITPRVOSCMS-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188075;MM188075;N=c1ncn(O)c(F)c1N;NJVBCPBOYNRMDV-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188076;MM188076;CNc1nc(O)c(O)[nH]1;CDASGFLISZGDOA-UHFFFAOYSA-N;129.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188077;MM188077;Cc1nn(C=N)n(O)c1=N;DXDFCOXYYRNHRD-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188078;MM188078;CCC(CC#CCO)=NN;YHYPJNVUNDBDPV-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188079;MM188079;CNc1nc(O)c(F)[nH]1;JRUQPZGMSLAICT-UHFFFAOYSA-N;131.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188080;MM188080;C#CCON=C(NO)NO;DHNAGYQABFRDBV-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188081;MM188081;CN=CNN=C(NO)NO;ULWGLGXCHRDMQX-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188082;MM188082;COc1nc(O)c(C)[nH]1;TYQIOEKXHFXSPM-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188083;MM188083;COc1nc(F)c(C)[nH]1;LOBURJOMPYRLPW-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188084;MM188084;NN=CNN=C(NO)NO;ZSOXERABQRBRAN-UHFFFAOYSA-N;148.13;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188085;MM188085;COc1nc(O)c(N)[nH]1;MTBWASPGBLNHAX-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188086;MM188086;COc1nc(F)c(N)[nH]1;LGLLTYNTRFKQCE-UHFFFAOYSA-N;131.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188087;MM188087;COc1nc(C)c(O)[nH]1;TYQIOEKXHFXSPM-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188088;MM188088;COc1nc(N)c(O)[nH]1;MTBWASPGBLNHAX-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188089;MM188089;COc1nc(O)c(O)[nH]1;JXYJVDIKPWRLFT-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188090;MM188090;COc1nc(N)c(F)[nH]1;LGLLTYNTRFKQCE-UHFFFAOYSA-N;131.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188091;MM188091;O=c1cnn(O)c(=O)o1;AGTNTZVVILRVME-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188092;MM188092;CCc1cc(C)c(C)o1;RPDGPLVOCZMLMF-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188093;MM188093;Cc1cc(CO)oc1C;PLLJDVAKJADWKS-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188094;MM188094;Cc1cc(CF)oc1C;QYHHSZDJVVHUGN-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188095;MM188095;CCc1cc(N)c(C)o1;HRKQYXFHOYKBFG-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188096;MM188096;Cc1oc(CO)cc1N;DWAUCMBQEGNPFE-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188097;MM188097;Cc1oc(CF)cc1N;ONVGUVZMLWGHDK-UHFFFAOYSA-N;129.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188098;MM188098;CCc1cc(F)c(C)o1;MMVNBWWLBARBDJ-UHFFFAOYSA-N;128.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188099;MM188099;Cc1oc(CO)cc1F;LGARSJZIFMEDHF-UHFFFAOYSA-N;130.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188100;MM188100;Cc1oc(CF)cc1F;CIEGFYGGGMZQIQ-UHFFFAOYSA-N;132.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188101;MM188101;CCc1cc(C)c(N)o1;WGATXUGRPMTJAJ-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188102;MM188102;Cc1cc(CO)oc1N;RRIVSUPMIBELRJ-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188103;MM188103;Cc1cc(CF)oc1N;JYDOMKSIRRMGHT-UHFFFAOYSA-N;129.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188104;MM188104;CCc1cc(N)c(N)o1;HBPCJQJJMSNKJW-UHFFFAOYSA-N;126.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188105;MM188105;Nc1cc(CO)oc1N;BODUKSWPZDJWLB-UHFFFAOYSA-N;128.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188106;MM188106;Nc1cc(CF)oc1N;BDQOVQAUGHLNMN-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188107;MM188107;CCc1cc(F)c(N)o1;HSTVXJPAEJHQKG-UHFFFAOYSA-N;129.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188108;MM188108;Nc1oc(CO)cc1F;MYTQWUTXYLPALP-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188109;MM188109;CCc1cc(N)c(O)o1;HKXLYQHYVAEQDI-UHFFFAOYSA-N;127.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188110;MM188110;Nc1cc(CO)oc1O;XPLXKDLSTUMUOZ-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188111;MM188111;Nc1cc(CF)oc1O;ZYPSJEVWLBTTQK-UHFFFAOYSA-N;131.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188112;MM188112;O=c1c(F)ccc(O)n1O;GHPMLYQHTNVURE-UHFFFAOYSA-N;145.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188113;MM188113;CCc1cc(C)c(F)o1;PUCVKVJOCBVYEM-UHFFFAOYSA-N;128.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188114;MM188114;Cc1cc(CO)oc1F;MVVGVNIUFOLQMB-UHFFFAOYSA-N;130.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188115;MM188115;Cc1cc(CF)oc1F;DMARMUCSTNSESN-UHFFFAOYSA-N;132.11;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188116;MM188116;CCc1cc(N)c(F)o1;QEWWUDILJQYYFK-UHFFFAOYSA-N;129.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188117;MM188117;Nc1cc(CO)oc1F;QKZIDZCFDFLRKE-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188118;MM188118;Nc1cc(CF)oc1F;FIAIFZODICHMEG-UHFFFAOYSA-N;133.1;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188119;MM188119;Cc1cnc(=O)n(O)c1F;LPMWDRSPDGITHC-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188120;MM188120;NN=c1ncoc(=O)[nH]1;UZWNJAWQZAOQGX-UHFFFAOYSA-N;128.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188121;MM188121;Cn1ncn(O)c(=O)c1=O;CQAUZTOLAZALML-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188122;MM188122;CCc1cc(F)c(F)o1;GKUHSTNLKYEBMI-UHFFFAOYSA-N;132.11;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188123;MM188123;OCc1cc(F)c(F)o1;CGONOVJEHSEVQC-UHFFFAOYSA-N;134.08;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188124;MM188124;CNc1cc(C)c(C)o1;DPCFNEISLJWFQA-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188125;MM188125;CNc1cc(N)c(C)o1;RWPCVLCHRWCEQC-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188126;MM188126;CNc1cc(F)c(C)o1;JEJIODCNASGRCT-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188127;MM188127;CNc1cc(C)c(N)o1;VQICRGJZNBIODO-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188128;MM188128;CNc1cc(N)c(N)o1;JRKRFEUJLTWHNC-UHFFFAOYSA-N;127.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188129;MM188129;CNc1cc(F)c(N)o1;QRFREGREMZBHOX-UHFFFAOYSA-N;130.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188130;MM188130;CNc1cc(C)c(O)o1;KIXONYLXVKQADF-UHFFFAOYSA-N;127.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188131;MM188131;CNc1cc(N)c(O)o1;ROQOAICWHPBPNV-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188132;MM188132;CNc1cc(C)c(F)o1;CGQYOXCSLQKKTR-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188133;MM188133;CNc1cc(N)c(F)o1;YBWSLXPUJFARMN-UHFFFAOYSA-N;130.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188134;MM188134;CNc1cc(F)c(F)o1;PTDDHJVWDVVFTP-UHFFFAOYSA-N;133.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188135;MM188135;COc1cc(C)c(C)o1;ASMHDRSLRJUUHQ-UHFFFAOYSA-N;126.16;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188136;MM188136;COc1cc(N)c(C)o1;YTTHRJFCQXAOHD-UHFFFAOYSA-N;127.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188137;MM188137;COc1cc(F)c(C)o1;BQWJENMUOUCFAA-UHFFFAOYSA-N;130.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188138;MM188138;COc1cc(C)c(N)o1;VUTYAEGKSYMNGA-UHFFFAOYSA-N;127.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188139;MM188139;COc1cc(N)c(N)o1;VCACUGXEVLPPMX-UHFFFAOYSA-N;128.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188140;MM188140;COc1cc(N)c(O)o1;CVSVUBBHRGJQKG-UHFFFAOYSA-N;129.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188141;MM188141;COc1cc(C)c(F)o1;YOULFCHDAPTESW-UHFFFAOYSA-N;130.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188142;MM188142;COc1cc(N)c(F)o1;WYPSFYHMIYSQGJ-UHFFFAOYSA-N;131.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188143;MM188143;COc1onnc(=O)c1O;PRLPRWMUUSERBL-UHFFFAOYSA-N;144.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188144;MM188144;CCc1nc(C)c(C)o1;LCYOFVYHDBWYSI-UHFFFAOYSA-N;125.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188145;MM188145;Cc1nc(CO)oc1C;LUWGQGKWKMWQLD-UHFFFAOYSA-N;127.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188146;MM188146;Cc1nc(CF)oc1C;GEKZIMFKXKPWGS-UHFFFAOYSA-N;129.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188147;MM188147;CC(=N)n1ncc(=N)n1O;QQMNRFHLDPJUAC-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188148;MM188148;Cc1oc(CO)nc1N;OPGCBHUWLWSFTJ-UHFFFAOYSA-N;128.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188149;MM188149;C=Cc1cc(=NN)on1O;DEAJBSZPKSWHTP-UHFFFAOYSA-N;141.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188150;MM188150;CCc1nc(O)c(C)o1;WIXXDQXSXBTCTG-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188151;MM188151;Cc1oc(CO)nc1O;CFLZVHXKJKTANE-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188152;MM188152;CCc1nc(F)c(C)o1;GQIDFRDPSJDNIB-UHFFFAOYSA-N;129.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188153;MM188153;Cc1oc(CO)nc1F;HRERVIOCRXDKCN-UHFFFAOYSA-N;131.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188154;MM188154;Cc1oc(CF)nc1F;SCRHWIDJKHYRRT-UHFFFAOYSA-N;133.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188155;MM188155;C=Cn1ncc(=NN)n1O;JMYPYHXRJRBMEI-UHFFFAOYSA-N;141.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188156;MM188156;Cc1nc(CO)oc1N;FJUMZEIYBIFAEC-UHFFFAOYSA-N;128.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188157;MM188157;CN=c1cnn(C=N)n1O;PCEQJLBYLRGCHX-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188158;MM188158;CCON=CCC#CCO;HHTVAFYATXNNID-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188159;MM188159;Nc1nc(CO)oc1N;LCCPGVZWNMQEII-UHFFFAOYSA-N;129.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188160;MM188160;COc1cnc(CO)nc1;WCRPQDPGKHYFSH-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188161;MM188161;CCc1nc(O)c(N)o1;QUNQFBIFIFWTJS-UHFFFAOYSA-N;128.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188162;MM188162;Nc1oc(CO)nc1O;NGMJWPBWBYCLSU-UHFFFAOYSA-N;130.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188163;MM188163;Nc1oc(CF)nc1O;ZJHVMLIVCPAGPA-UHFFFAOYSA-N;132.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188164;MM188164;CCc1nc(F)c(N)o1;UFWOBKVDMBOLHW-UHFFFAOYSA-N;130.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188165;MM188165;Nc1oc(CO)nc1F;YEIAPRMFAQQXPX-UHFFFAOYSA-N;132.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188166;MM188166;O=Cc1ncn(O)c(=O)n1;XDWDKPUMHMLTRG-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188167;MM188167;CNN=c1oc(=O)n(O)o1;DHJFAQKQDYAGHE-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188168;MM188168;N#CC(C=O)C(=O)CCO;UOACIFGMWYVVOT-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188169;MM188169;Nc1ncn(O)c(=O)n1;HSZOUEXJGZAOOB-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188170;MM188170;C#CC(=C)CC(C#N)=NO;FVXJHNHVJPELTA-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188171;MM188171;Cn1nnc(=O)n(O)c1=N;CRBBBEJBTIPPEM-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188172;MM188172;CC(=NO)C(F)C#CCO;ZEOHDWUAXANCTE-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188173;MM188173;CCc1nc(C)c(F)o1;NDGLADOYKCAQMT-UHFFFAOYSA-N;129.13;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188174;MM188174;Cc1nc(CO)oc1F;MMLJGCBMVSBOLG-UHFFFAOYSA-N;131.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188175;MM188175;Cc1nc(CF)oc1F;IWYPZRGKZBYMSV-UHFFFAOYSA-N;133.1;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188176;MM188176;CCc1nc(N)c(F)o1;QGGPTCRHERLGIY-UHFFFAOYSA-N;130.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188177;MM188177;Nc1nc(CO)oc1F;OHPKHVPMHOOQPX-UHFFFAOYSA-N;132.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188178;MM188178;Nc1nc(CF)oc1F;VNNMVTJNKATXRX-UHFFFAOYSA-N;134.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188179;MM188179;CCc1nc(F)c(F)o1;JVMNDRHLXZOYQX-UHFFFAOYSA-N;133.1;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188180;MM188180;OCc1nc(F)c(F)o1;LSSIZBQCARZIIA-UHFFFAOYSA-N;135.07;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188181;MM188181;Nc1nc(CO)co1;QDLVVOMDEJKTNP-UHFFFAOYSA-N;114.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188182;MM188182;Nc1noc(N)c1F;DHQILSVSNVNQLP-UHFFFAOYSA-N;117.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188183;MM188183;CNc1nc(O)c(C)o1;APOSPSSCZBYHMI-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188184;MM188184;CNc1nc(F)c(C)o1;XITWXHCJDKZANP-UHFFFAOYSA-N;130.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188185;MM188185;CC1(O)C=NN(C=N)C1;PMCNUPLGNBHXEU-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188186;MM188186;C=NN(C)C(=O)NC(=C)C;TVIBHHFBTJUNMW-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188187;MM188187;CNc1nc(O)c(N)o1;YQRGUXRWHHXCEX-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188188;MM188188;CNc1nc(F)c(N)o1;BFDIEKAJXBTWRB-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188189;MM188189;CNc1nc(N)c(O)o1;DGDATHNXNZNYNE-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188190;MM188190;CNc1nc(C)c(F)o1;YFBIJFGCYPOCGV-UHFFFAOYSA-N;130.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188191;MM188191;CNc1nc(N)c(F)o1;UQBDGMFZNQWIND-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188192;MM188192;COc1nc(C)c(C)o1;WHGSOHQLIVACGA-UHFFFAOYSA-N;127.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188193;MM188193;C#CCC(=C)C(O)C=NN;FVVNHCLEVFSABL-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188194;MM188194;CNN=C(N)C(=O)C(C)O;RTZHGCKTOJDSQL-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188195;MM188195;CNC1(C#N)CNC(=O)C1;SCWKWZPLNQJPOA-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188196;MM188196;CCNn1cc(O)cn1;MUJNMIICWPEDJW-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188197;MM188197;Cc1nn(O)c(C)c1O;MEDRFLGSFCZTFI-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188198;MM188198;COc1nc(C)c(F)o1;CJKJCUCDTCJLLP-UHFFFAOYSA-N;131.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188199;MM188199;COc1nc(N)c(F)o1;SOISCTDWNJYPDN-UHFFFAOYSA-N;132.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188200;MM188200;C=CC1=CC(C)=C(C)C1;REZLNTZLPDJNFH-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188201;MM188201;CC1=C(C)CC(C=O)=C1;XLSSQJGIIXIVNJ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188202;MM188202;CC1=C(C)CC(C#N)=C1;ATUQXDASYNDPLQ-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188203;MM188203;C=CC1=CC(F)=C(C)C1;AYDGFTJIUBVQFW-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188204;MM188204;CC1=C(F)C=C(C=O)C1;DLLRKNWZQMFZHE-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188205;MM188205;CC1=C(F)C=C(C#N)C1;SWJBZTGBNVOGDC-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188206;MM188206;C=CC1=CC(C)=C(F)C1;KFMHSSUHVCYRSK-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188207;MM188207;CC1=C(F)CC(C=O)=C1;WXXIOOKVKIMGAB-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188208;MM188208;CC1=C(F)CC(C#N)=C1;OFENDAUACHRACE-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188209;MM188209;C=CC1=CC(F)=C(F)C1;ULUAECKHUGYNJJ-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188210;MM188210;O=CC1=CC(F)=C(F)C1;VXCUYXVKHBACTD-UHFFFAOYSA-N;130.09;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188211;MM188211;N#CC1=CC(F)=C(F)C1;NBIFLMZQZJWQLB-UHFFFAOYSA-N;127.09;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188212;MM188212;C=Cc1cc(C)c(C)[nH]1;OBLOSPSKGAPOIV-UHFFFAOYSA-N;121.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188213;MM188213;Cc1cc(C#N)[nH]c1C;GQPYBJNEUFXRCV-UHFFFAOYSA-N;120.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188214;MM188214;C=C(CF)N(O)C(=N)C#N;YTAONJPPKHGHJS-UHFFFAOYSA-N;143.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188215;MM188215;C#CC=CC(O)C(C)=NN;ILVVHSQTKBWKDJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188216;MM188216;C=Cc1cc(F)c(C)[nH]1;TXFUFSXAIIWNMY-UHFFFAOYSA-N;125.15;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188217;MM188217;CNn1cc(O)cn1;VZHFPEPNONOGQU-UHFFFAOYSA-N;113.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188218;MM188218;Cc1[nH]c(C#N)cc1F;QHRPMLVKUZFIFU-UHFFFAOYSA-N;124.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188219;MM188219;CNN=CCCC(O)C=O;QQRBKPFOOMTOQT-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188220;MM188220;CC(O)C(=NN)OCCO;ZIAIRKOTFLPEGM-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188221;MM188221;COCOC(=NN)C(C)O;TXEUIWVQFSUQJV-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188222;MM188222;Cc1c(CO)oc(=N)n1O;QKELZDHRDHVPJF-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188223;MM188223;C=Cc1cc(O)c(N)[nH]1;NRXBTMCQWRSKSO-UHFFFAOYSA-N;124.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188224;MM188224;Nc1[nH]c(C=O)cc1O;PWQJPINKUJRNGF-UHFFFAOYSA-N;126.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188225;MM188225;N#Cc1cc(O)c(N)[nH]1;LNEQMWIEYIGGRI-UHFFFAOYSA-N;123.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188226;MM188226;N=c1ncn(O)nc1NO;LDOJZWROQNQEQC-UHFFFAOYSA-N;143.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188227;MM188227;Nc1[nH]c(C=O)cc1F;LYPWQQFUTAIBNN-UHFFFAOYSA-N;128.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188228;MM188228;N#Cc1cc(F)c(N)[nH]1;PUSVBNZOJGOXAV-UHFFFAOYSA-N;125.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188229;MM188229;C=Cc1cc(C)c(O)[nH]1;IZJVXRKOEGQSCC-UHFFFAOYSA-N;123.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188230;MM188230;Nn1c(F)c(F)n(O)c1=O;PLJWYEZVAAVILZ-UHFFFAOYSA-N;151.07;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188231;MM188231;Cc1cc(C#N)[nH]c1O;YKFAOPJDADLXBG-UHFFFAOYSA-N;122.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188232;MM188232;C=Cc1cc(N)c(O)[nH]1;FDGRTGUBXYZBMI-UHFFFAOYSA-N;124.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188233;MM188233;Cn1nc(O)n(O)c1=NN;DIOBDAHAVQUSKC-UHFFFAOYSA-N;145.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188234;MM188234;N#Cc1cc(N)c(O)[nH]1;WVKJZOJQGXIHJD-UHFFFAOYSA-N;123.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188235;MM188235;C=Cc1cc(O)c(O)[nH]1;GSVWPSUWUWNDHD-UHFFFAOYSA-N;125.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188236;MM188236;NN=c1c(O)c(O)on1O;GCGWHEBPJFFLPJ-UHFFFAOYSA-N;147.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188237;MM188237;C=Cc1cc(F)c(O)[nH]1;CNZXNGRMTOLHGG-UHFFFAOYSA-N;127.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188238;MM188238;Nn1c(F)c(O)oc1=NO;JEHFNBOLJVFNQC-UHFFFAOYSA-N;149.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188239;MM188239;C=Cc1cc(C)c(F)[nH]1;YJJXSLZZHKDMGG-UHFFFAOYSA-N;125.15;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188240;MM188240;N=c1[nH]cnc(=O)o1;LBLJVVCQHNUELC-UHFFFAOYSA-N;113.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188241;MM188241;Cc1cc(C#N)[nH]c1F;KRAZLUCLKVJIJN-UHFFFAOYSA-N;124.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188242;MM188242;C=Cc1cc(N)c(F)[nH]1;IWDRJUBYAUYEHN-UHFFFAOYSA-N;126.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188243;MM188243;N#Cc1cc(N)c(F)[nH]1;PCCGSSASSKUBFF-UHFFFAOYSA-N;125.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188244;MM188244;O=Cc1nn(O)c(=O)o1;IBOILUIFCVOYQD-UHFFFAOYSA-N;130.06;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188245;MM188245;C=Cc1cc(F)c(F)[nH]1;DRECNOJEPXXHRM-UHFFFAOYSA-N;129.11;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188246;MM188246;O=c1ncon(O)c1=O;NWSDYDXCKSNKLO-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188247;MM188247;NN=CC1=CC(CF)=CC1;ZLIZYCSMXQRMLL-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188248;MM188248;Cc1nc(C#N)[nH]c1C;VEJJTIVGAPRBKJ-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188249;MM188249;Cc1nn(C)n(O)c1=NN;KVNCYPAOXJOYEL-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188250;MM188250;Cc1[nH]c(C#N)nc1N;QGLXPHYQNKYSRH-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188251;MM188251;C=Cc1nc(O)c(C)[nH]1;BQKYAMFNLDJNEI-UHFFFAOYSA-N;124.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188252;MM188252;Cc1[nH]c(C=O)nc1O;BJSWCLFADHSCHD-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188253;MM188253;Cc1[nH]c(C#N)nc1O;VZSDFCKZDNROQL-UHFFFAOYSA-N;123.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188254;MM188254;C=Cc1nc(F)c(C)[nH]1;MYAYUXLKZQUYGO-UHFFFAOYSA-N;126.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188255;MM188255;Cc1[nH]c(C=O)nc1F;IMVHKFFRDJAOEQ-UHFFFAOYSA-N;128.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188256;MM188256;Cc1[nH]c(C#N)nc1F;FTQUJQRRVSEJIM-UHFFFAOYSA-N;125.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188257;MM188257;CCn1ncc(=NN)n1O;WBBZBBGNQCNBRZ-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188258;MM188258;N=c1oncn1O;VHKQIBAGCLLEQS-UHFFFAOYSA-N;101.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188259;MM188259;CC(O)C(=O)C(=N)N;AMUXOLMYNNZWOF-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188260;MM188260;Nc1[nH]c(C=O)nc1O;CWONRRMZKOAHEF-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188261;MM188261;N#Cc1nc(O)c(N)[nH]1;JZHOVADAUNEKRA-UHFFFAOYSA-N;124.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188262;MM188262;C=Cc1nc(F)c(N)[nH]1;WVVWVQCUFBQYLT-UHFFFAOYSA-N;127.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188263;MM188263;Nc1[nH]c(C=O)nc1F;BBXNIKCYMBBNSR-UHFFFAOYSA-N;129.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188264;MM188264;O=c1nc(F)c(=O)n(O)o1;MBGNGJJRWBDRHR-UHFFFAOYSA-N;148.05;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188265;MM188265;CC(=O)c1nn(O)c(=O)o1;GCKOBUUBMRCACI-UHFFFAOYSA-N;144.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188266;MM188266;Oc1c(F)c(F)n(O)c1O;OVJUPXWXYUQVOS-UHFFFAOYSA-N;151.07;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188267;MM188267;NC(=O)NC(=O)NNC=O;PLWILXQWYCGMLR-UHFFFAOYSA-N;146.11;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188268;MM188268;C=Cc1cc(C)c(C)o1;DWVDDDUEYYGFLF-UHFFFAOYSA-N;122.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188269;MM188269;Cc1cc(C=O)oc1C;JPTPEPVCVXGNJM-UHFFFAOYSA-N;124.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188270;MM188270;Cc1cc(C#N)oc1C;KAUUUFHVUMGTTG-UHFFFAOYSA-N;121.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188271;MM188271;C=Cc1cc(N)c(C)o1;XKAGPDDDPWSEIL-UHFFFAOYSA-N;123.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188272;MM188272;Cc1oc(C=O)cc1N;YZPJQQCTHMKLHB-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188273;MM188273;Cc1oc(C#N)cc1N;WQLZMLJPWHEERX-UHFFFAOYSA-N;122.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188274;MM188274;C=Cc1cc(F)c(C)o1;NHPMKDWBLMNYTP-UHFFFAOYSA-N;126.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188275;MM188275;Cc1oc(C=O)cc1F;MTJGDAPJAMDPSF-UHFFFAOYSA-N;128.1;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188276;MM188276;Cc1oc(C#N)cc1F;LKLLONZDLNTBTR-UHFFFAOYSA-N;125.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188277;MM188277;C=Cc1cc(C)c(N)o1;GZXKSZCSXYCWNG-UHFFFAOYSA-N;123.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188278;MM188278;Cc1cc(C#N)oc1N;BUTFGKCOVSOWAB-UHFFFAOYSA-N;122.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188279;MM188279;C=Cc1cc(N)c(N)o1;LGRLGMGTMQJRQD-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188280;MM188280;C=Cc1cc(F)c(N)o1;MDYHVEVBLJXBHQ-UHFFFAOYSA-N;127.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188281;MM188281;Nc1oc(C=O)cc1F;JKVIWTGIEUVBDW-UHFFFAOYSA-N;129.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188282;MM188282;N#Cc1cc(F)c(N)o1;AGGOFXLUSIENBM-UHFFFAOYSA-N;126.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188283;MM188283;COc1oc(=O)n(O)c1C;LGSDLTBPFGZBQE-UHFFFAOYSA-N;145.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188284;MM188284;C=Cc1cc(N)c(O)o1;IDGLEVROVMNDGG-UHFFFAOYSA-N;125.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188285;MM188285;C#Cc1ncn(O)c(=O)n1;MBOOYEUOFQKMDE-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188286;MM188286;Nc1nn(O)c(=O)nc1F;IFVADSKNEUVGFV-UHFFFAOYSA-N;146.08;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188287;MM188287;CCCN=C(C#N)NC=O;RIPKKEIVQPRZKL-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188288;MM188288;C#CC(=O)C(CO)=NO;AABBZPRIPVCZIK-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188289;MM188289;C=Cc1cc(C)c(F)o1;OCNXAIBXQVYNKD-UHFFFAOYSA-N;126.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188290;MM188290;Cc1cc(C=O)oc1F;DSXVFRBYHUFGSI-UHFFFAOYSA-N;128.1;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188291;MM188291;Cc1cc(C#N)oc1F;CGNRDRSHHXMKIV-UHFFFAOYSA-N;125.1;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188292;MM188292;C=Cc1cc(N)c(F)o1;AOPJNAYIUXQBKL-UHFFFAOYSA-N;127.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188293;MM188293;Nc1cc(C=O)oc1F;FKICIDULNUIEJT-UHFFFAOYSA-N;129.09;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188294;MM188294;N#Cc1cc(N)c(F)o1;SBQJYUIEGXSAEP-UHFFFAOYSA-N;126.09;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188295;MM188295;N=c1cncc(O)n1C=O;DROOITJTUIYOLB-UHFFFAOYSA-N;139.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188296;MM188296;N#CC(=NCCO)NC=O;VJZJYMIEWIQNDU-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188297;MM188297;CNc1ncn(O)c(=O)n1;BMZRMWHAWSEYOS-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP5";;;;;;;-1.11;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188298;MM188298;C=Cc1cc(F)c(F)o1;FYRSROMHFOATRP-UHFFFAOYSA-N;130.09;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188299;MM188299;O=Cc1cc(F)c(F)o1;YBGQDXQUCZXKOW-UHFFFAOYSA-N;132.07;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188300;MM188300;N#Cc1cc(F)c(F)o1;RGZZYOVWFYNPCC-UHFFFAOYSA-N;129.07;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188301;MM188301;C=Cc1nc(C)c(C)o1;XDFPFEHXQWQCAJ-UHFFFAOYSA-N;123.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188302;MM188302;Cc1nc(C=O)oc1C;XHEMOUHXSVJUJF-UHFFFAOYSA-N;125.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188303;MM188303;Cc1nc(C#N)oc1C;VORWTRBIXPQHIQ-UHFFFAOYSA-N;122.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188304;MM188304;COC(=NN)C(C)O;FAKULLXZRLKVLQ-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188305;MM188305;CN=c1oncn1O;WEJXURVPEKEDSM-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188306;MM188306;Cc1oc(C#N)nc1N;FAMVHIAITDVKAN-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188307;MM188307;C=Cc1nc(O)c(C)o1;WWGMGWPJMANPGB-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188308;MM188308;C=Cc1nc(F)c(C)o1;YUMKYFJXGPRFJI-UHFFFAOYSA-N;127.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188309;MM188309;Cc1oc(C=O)nc1F;JDIKKNWLBQVCOD-UHFFFAOYSA-N;129.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188310;MM188310;Cc1oc(C#N)nc1F;KTLMAWCRDQYKRK-UHFFFAOYSA-N;126.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188311;MM188311;CN=C(N)C(=O)C(C)O;OVFLLEVFMVCBST-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188312;MM188312;NN=COCC(O)CO;CDSGLLGQMNULGB-UHFFFAOYSA-N;134.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188313;MM188313;Cc1nc(C#N)oc1N;AKJYDWKFHRDERH-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188314;MM188314;C=NOC(=O)C(=O)CO;CEPVVROOCSHKHB-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188315;MM188315;N=c1nnn(O)cc1N;MJDZVWRZQKRDMV-UHFFFAOYSA-N;127.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188316;MM188316;N#Cc1nc(N)c(N)o1;CEMGLZUMVODLPS-UHFFFAOYSA-N;124.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188317;MM188317;C=Cc1nc(O)c(N)o1;YUUVYWPFWKINIK-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188318;MM188318;Nc1oc(C=O)nc1O;MGAYFLLZSCWLTI-UHFFFAOYSA-N;128.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188319;MM188319;C=Cc1nc(F)c(N)o1;RTEFLGDWOHJVLK-UHFFFAOYSA-N;128.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188320;MM188320;Nc1oc(C=O)nc1F;JMCMFENFCAOUBW-UHFFFAOYSA-N;130.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188321;MM188321;N#Cc1nc(F)c(N)o1;AGABFYXGKYDTRQ-UHFFFAOYSA-N;127.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188322;MM188322;N#CC(CCOC=O)=NO;ZWGLZUMGZMCLLL-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188323;MM188323;C=Cc1nnn(O)c1F;ADBLFMOZSCMNEA-UHFFFAOYSA-N;129.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188324;MM188324;Cc1onc(CO)c1O;LYWPLHLMRCCULZ-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188325;MM188325;Nc1nnnc(=O)n1O;HNHJCSDNHBDMRM-UHFFFAOYSA-N;129.08;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188326;MM188326;CC=CC#CC(F)C=NO;YZYPMUCMAYRANR-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188327;MM188327;Nn1on(O)c(=O)c1=O;ZWIDQXMYCGRAFJ-UHFFFAOYSA-N;133.06;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188328;MM188328;CC#Cc1cc(=O)n(N)[nH]1;UHRZJXIWFAVAIA-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188329;MM188329;Cc1[nH]c(=NN)oc1F;UYFFJOMTUBIQQD-UHFFFAOYSA-N;131.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188330;MM188330;CNc1n[nH]c(C)c1O;KCOHSWZXVPMYKM-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188331;MM188331;N=Cn1oc(=N)[nH]c1=NO;OKKRLRDKGNPGOZ-UHFFFAOYSA-N;143.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188332;MM188332;Cn1cc(O)oc1=O;OWCPIBVKNYGWNV-UHFFFAOYSA-N;115.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188333;MM188333;C=Cc1nc(C)c(F)o1;PNXFWPNQQGKUDL-UHFFFAOYSA-N;127.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188334;MM188334;Cc1nc(C=O)oc1F;OQQNYWTZMJLSAL-UHFFFAOYSA-N;129.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188335;MM188335;Cc1nc(C#N)oc1F;ICDWJMRKSASECW-UHFFFAOYSA-N;126.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188336;MM188336;C=Cc1nc(N)c(F)o1;ZFCIKYQPQXZRSF-UHFFFAOYSA-N;128.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188337;MM188337;Nc1nc(C=O)oc1F;QDEZVRQMGAHXRE-UHFFFAOYSA-N;130.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188338;MM188338;N#Cc1nc(N)c(F)o1;CMXAQYMXBAUWBC-UHFFFAOYSA-N;127.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188339;MM188339;Cc1c(O)oc(=O)n1C;TXRYHUSGVODUOQ-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188340;MM188340;C=Cc1nc(F)c(F)o1;DOWMPYBLGQTTMU-UHFFFAOYSA-N;131.08;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188341;MM188341;O=Cc1nc(F)c(F)o1;LCTONBJEDQAWGP-UHFFFAOYSA-N;133.05;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188342;MM188342;N#Cc1nc(F)c(F)o1;QJJPNPACOGIKQQ-UHFFFAOYSA-N;130.05;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188343;MM188343;C#CC1=CC(C)=C(C)C1;OEBGNVGBGNBSFJ-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188344;MM188344;C#CC1=CC(F)=C(C)C1;MCQQNOTUFWHRMS-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188345;MM188345;C#CC1=CC(C)=C(F)C1;YEPXZVHYJWGSEB-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188346;MM188346;C#CC1=CC(F)=C(F)C1;DFAYTYDTJKVNJM-UHFFFAOYSA-N;126.11;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188347;MM188347;C#Cc1cc(C)c(C)[nH]1;LGZRIPAWNPNWII-UHFFFAOYSA-N;119.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188348;MM188348;C=NNC1=NC(C)C=C1;HPDRJGZLGFBOFY-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188349;MM188349;C#Cc1cc(F)c(C)[nH]1;IHORLLRRVDBDLU-UHFFFAOYSA-N;123.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188350;MM188350;Cn1ncc(=NN)n1O;RFICNYLHPWZZHZ-UHFFFAOYSA-N;129.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188351;MM188351;C#Cc1cc(O)c(N)[nH]1;TXGMIAXUCVOESZ-UHFFFAOYSA-N;122.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188352;MM188352;O=CC1C=CN(C=O)N1;CSLLPHUHUNMZHE-UHFFFAOYSA-N;126.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188353;MM188353;C#Cc1cc(C)c(O)[nH]1;WQGLIAORQPTABF-UHFFFAOYSA-N;121.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188354;MM188354;C#Cc1cc(N)c(O)[nH]1;BHULDSYOIUZGMN-UHFFFAOYSA-N;122.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188355;MM188355;C#Cc1cc(O)c(O)[nH]1;SHWPMAYVRZYJGO-UHFFFAOYSA-N;123.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188356;MM188356;C#Cc1cc(F)c(O)[nH]1;MKCJMOOYRBEPSL-UHFFFAOYSA-N;125.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188357;MM188357;C#Cc1cc(C)c(F)[nH]1;PHZCTDKROAYAHO-UHFFFAOYSA-N;123.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188358;MM188358;C#Cc1cc(N)c(F)[nH]1;IKSWVZCVNBRZRW-UHFFFAOYSA-N;124.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188359;MM188359;C#Cc1cc(F)c(F)[nH]1;RKGXCKWONCGJPJ-UHFFFAOYSA-N;127.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188360;MM188360;C=NNC(=N)C(C)(O)CC;UXYVJVJTTNJIHV-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188361;MM188361;CC(O)C#CC(=O)N(C)N;CGUAYZXGNFQIJD-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188362;MM188362;C#Cc1nc(O)c(C)[nH]1;OARQSSSVOHRFBK-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188363;MM188363;C#Cc1nc(F)c(C)[nH]1;WHRXHDXKZUYOLW-UHFFFAOYSA-N;124.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188364;MM188364;C#Cc1nc(O)c(N)[nH]1;YRZCIZQLICSQER-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188365;MM188365;C#Cc1nc(F)c(N)[nH]1;XJFGWQHTTDWCCE-UHFFFAOYSA-N;125.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188366;MM188366;C#Cc1nn(O)c(=O)o1;OWUJIRDBACPIKQ-UHFFFAOYSA-N;126.07;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188367;MM188367;C#Cc1cc(C)c(C)o1;MGGLAKJLTDVNRE-UHFFFAOYSA-N;120.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188368;MM188368;C#Cc1cc(N)c(C)o1;LRORAIGCJYXENI-UHFFFAOYSA-N;121.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188369;MM188369;C#Cc1cc(F)c(C)o1;CRAVWWHXGVQOJH-UHFFFAOYSA-N;124.11;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188370;MM188370;C#Cc1cc(C)c(N)o1;QYIYNDGOMLNTNI-UHFFFAOYSA-N;121.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188371;MM188371;C#Cc1cc(N)c(N)o1;UCAIONICSROLKF-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188372;MM188372;C#Cc1cc(F)c(N)o1;UCRBMGPTDMMVSB-UHFFFAOYSA-N;125.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188373;MM188373;C#Cc1cc(N)c(O)o1;SSIVEKVCPJPBEP-UHFFFAOYSA-N;123.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188374;MM188374;C#Cc1cc(C)c(F)o1;UBWNGXMYLZESNX-UHFFFAOYSA-N;124.11;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188375;MM188375;C#Cc1cc(N)c(F)o1;RISWQILIHZMMTC-UHFFFAOYSA-N;125.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188376;MM188376;CC#Cc1nn(O)c(=O)o1;VRZSSNUPVJOPNM-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188377;MM188377;C#Cc1cc(F)c(F)o1;IJHVGNVWZWXEMM-UHFFFAOYSA-N;128.08;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188378;MM188378;C#Cc1nc(C)c(C)o1;FMSGTFGWXYOFOX-UHFFFAOYSA-N;121.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188379;MM188379;C=C(NC=O)C(C)=NOC;QUSPTWRRYBJTQL-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188380;MM188380;C#Cc1nc(O)c(C)o1;VALDIUWUWUIZCW-UHFFFAOYSA-N;123.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188381;MM188381;C#Cc1nc(F)c(C)o1;DUMDWRSEYRFJGO-UHFFFAOYSA-N;125.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188382;MM188382;CCOC(=NNC)C(C)O;NILUDDJUCOJDSH-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188383;MM188383;C=NNCC(F)(CO)CO;NIIAWSUHNYECBN-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188384;MM188384;C#Cc1nc(O)c(N)o1;RCRWYJLNYKUCNQ-UHFFFAOYSA-N;124.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188385;MM188385;C#Cc1nc(F)c(N)o1;DAGDFLDMEMEQSE-UHFFFAOYSA-N;126.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188386;MM188386;O=c1oc(=O)n(O)oc1=O;BHPPJAFEDIKPIQ-UHFFFAOYSA-N;147.04;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188387;MM188387;O=c1nc(F)c(F)cn1O;UNOSOLLZTZFQAH-UHFFFAOYSA-N;148.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188388;MM188388;Cc1nc(=NN)[nH]c(=O)o1;TYOQTSQWIAQICR-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188389;MM188389;C#Cc1nc(C)c(F)o1;CSBQSGWCTCBFKI-UHFFFAOYSA-N;125.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188390;MM188390;C#Cc1nc(N)c(F)o1;MCPCENDGYBOIBE-UHFFFAOYSA-N;126.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188391;MM188391;C#Cc1nc(F)c(F)o1;YWIYVKXVGQLWTE-UHFFFAOYSA-N;129.07;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188392;MM188392;CC1CCC(C)C(N)C1;JDDGZKNTHGVZTQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188393;MM188393;CC1CCC(O)CC1N;WRKXNFAZOQUYAX-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188394;MM188394;NC1CCC(O)C(N)C1;GLNQKYXXXHMERA-UHFFFAOYSA-N;130.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188395;MM188395;CC1CCC(F)C(N)C1;DJDPWXNYODELPR-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188396;MM188396;CC(=NN)OCC(O)CO;AQPVMHLDZGHAEH-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188397;MM188397;CC1CC(O)CCN1C;MECORNNOSYQMOX-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188398;MM188398;CN1CC(N)CCC1=N;VYCUZJGEHNQBBH-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188399;MM188399;CN1CC(F)CCC1=N;QRWGGPLWKLEQHY-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188400;MM188400;N=C1CCC(O)CN1O;XTTSJRXIKMXYAZ-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188401;MM188401;CC1CCC(=N)N(C)O1;JTPMTQQUCWLAFC-UHFFFAOYSA-N;128.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188402;MM188402;C=C1CCC(=N)N(C)C1;YNYKZTBBARGLLE-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188403;MM188403;CN1CC(=O)CCC1=N;OFKGDQWFLKNPFZ-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188404;MM188404;C=C1CCC(=O)N(C)C1;CRVXKLIJCHXOON-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188405;MM188405;CN1CC(=O)CCC1=O;CESFOYQRKATOPJ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188406;MM188406;C=C1CCC(=N)N(N)C1;VCUPMXLBWNUFCV-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188407;MM188407;C=C1CCC(=O)N(N)C1;VFIRGFBLMXUQEQ-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188408;MM188408;C=C1CCC(=N)N(O)C1;INVIDKBHPWOCMI-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188409;MM188409;N=C(CO)N(O)C(=N)CF;LSWDTBKZPQKEON-UHFFFAOYSA-N;149.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188410;MM188410;CN1NC(=N)CCC1=N;PLVSYWXWYLDWEW-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188411;MM188411;CN1NC(=O)CCC1=N;AOGKKMYQYRVQNB-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188412;MM188412;CC(=NN)N(O)C(=N)CO;UYDARYUADLGVQG-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188413;MM188413;CN1NC(=O)CCC1=O;MPAPLWXPSJOPAO-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188414;MM188414;CN1OC(=O)CCC1=O;RIZKHRFFQIPWET-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188415;MM188415;NC=NOC(=O)C(=O)CO;CRDUSICSLRITPE-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188416;MM188416;C=C1CC(F)CCC1N;LBLMFYJEIACXCY-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188417;MM188417;C=C1CC(N)CCC1O;VFUKOIMNHFDOTB-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188418;MM188418;C=C1CC(O)CCC1O;LNSGKMLWYYOVMS-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188419;MM188419;CC1CCC(C)C(=O)C1;LUGFNAYTNQMMMY-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188420;MM188420;CC1CCC(C)C(=N)N1;GOSUZRUQOUFJKW-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188421;MM188421;C=C1OC(C)OCC1C;LSNZSJZBGNPJSC-UHFFFAOYSA-N;128.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188422;MM188422;C=C1OC(C)OCC1N;JEIRNQGBMGZBNI-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188423;MM188423;C=C1CN(C)CCC1C;BTENAIKMEYYYAC-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188424;MM188424;C=C1CN(C)CCC1N;ZXTKEKSRFXDVQA-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188425;MM188425;CC1CCN(C)CC1=O;GDLWONGRBLNGBJ-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188426;MM188426;CC1CCN(C)NC1=N;XAYUBJRPXZXLGZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188427;MM188427;CC1CCN(C)C(=N)C1;LYKBNEVQMUZZHO-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188428;MM188428;N=C1CC(N)CCN1O;FFPJMZBXMFEEDB-UHFFFAOYSA-N;129.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188429;MM188429;N=C1CC(O)CCN1O;VBKMQVMZJJAMHZ-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188430;MM188430;CNN=COCC(O)CO;NYFZXPHDGYMPPW-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188431;MM188431;CN1CCN(C)C(=N)C1;VEUJHBJYRSMQEW-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188432;MM188432;CN1CCN(N)C(=N)C1;LKASANZGHMUSAK-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188433;MM188433;CN1CCN(C)C(=N)N1;GMICRSWQFRJLGY-UHFFFAOYSA-N;128.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188434;MM188434;CN1CCN(N)C(=N)N1;XALWNWXDPNJTPU-UHFFFAOYSA-N;129.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188435;MM188435;CN1CCN(O)C(=N)N1;GQPZXRZRXOCKPR-UHFFFAOYSA-N;130.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188436;MM188436;C=C1CCC(N)C(=C)C1;ILTOOVCTLZUIEO-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188437;MM188437;CON=COCC(O)CO;HRLAWTSXRUBFEC-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188438;MM188438;C=C1CCC(F)C(=C)C1;UDWONTJFMKWKRZ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188439;MM188439;C=C1CCC(F)C(=O)C1;IGZMMIAHKXEMHO-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188440;MM188440;C=C1CC(=N)NCC1F;FLWHMSRBAMXWAR-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188441;MM188441;C=C1CC(=O)NCC1F;BQOJSWJNCOWAMR-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188442;MM188442;C=C1CC(=C)C(F)CO1;KMTNFRVOBOWQKV-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188443;MM188443;C=C1NC(=N)CCC1O;FJCPXQCQYLUZKM-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188444;MM188444;C=C1CCC(O)C(=C)O1;XFSBIENNRWOWIX-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188445;MM188445;C=C1CCN(C)C(=N)C1;IAROOIOIHNYKES-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188446;MM188446;CN1CCC(=O)CC1=N;LOPGHILQHQHLSM-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188447;MM188447;C=C1CCN(N)C(=N)C1;VQIUVTBKTIZJDF-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188448;MM188448;C=C1CCN(O)C(=N)C1;RYNFSCPPWXRIDY-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188449;MM188449;C=C1CCN(C)C(=O)C1;ZDPGCTPOMDVUOG-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188450;MM188450;CN1CCC(=O)CC1=O;FLHLLNQXQGRGBP-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188451;MM188451;C=C1CCN(N)C(=O)C1;RUHVABUNZYSFCZ-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188452;MM188452;C=C1CCN(C)C(=N)N1;HLJWRJSGZZVDSV-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188453;MM188453;CN1CCC(=N)NC1=N;YRKDODCPPNAPGN-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188454;MM188454;CC=C(C=NOC)NC=O;RMGBBLAYNFZIRC-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188455;MM188455;C=C1CCN(N)C(=N)N1;PGCWTRJIYGGUIY-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188456;MM188456;N=C1CCN(N)C(=N)N1;DELPSLVXVJCCFI-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188457;MM188457;CC(O)C(C#CCO)=NN;GBCXTDXRZNRWDT-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188458;MM188458;C=C1CCN(O)C(=N)N1;VBHJNPXSGHJPPP-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188459;MM188459;N=C1CCN(O)C(=N)N1;KTUOIUYNODWANU-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188460;MM188460;N=C1NC(=O)CCN1O;WVUSDJJLHRXLNX-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188461;MM188461;C=C1CCN(C)C(=O)N1;GUEFSFCIORKNAE-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188462;MM188462;C=Cn1nc(C)c(=N)n1O;ZCQUJMJEMPVDPC-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188463;MM188463;CN1CCC(=O)NC1=O;LPQUIFIUJKZJRT-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188464;MM188464;CNc1cn(O)nnc1=N;FRJRIPNBYWKSMU-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188465;MM188465;OCCON=C(NO)NO;BVHDYANJQYIDJM-UHFFFAOYSA-N;151.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188466;MM188466;O=CCON=C(NO)NO;WEABNIWFAVYNPM-UHFFFAOYSA-N;149.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188467;MM188467;C=C1CCN(O)C(=O)N1;BBDCJWOZKVVTAX-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188468;MM188468;N=C1OC(=O)CCN1N;GCQOLBROWZAATA-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188469;MM188469;C=C(C)n1ncc(=N)n1O;DMPBXTBLLGLSCU-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188470;MM188470;CN1CCC(=O)OC1=O;BSEKGPMZDJPBJU-UHFFFAOYSA-N;129.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188471;MM188471;C=C1CCC(C)CC1=C;IVVDNSBAGARICD-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188472;MM188472;C=C1CCC(N)CC1=C;XBVJATIPAQPCFK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188473;MM188473;CN=c1n(N)nc(C)n1O;NYRQZCFUPFOEJY-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188474;MM188474;C=C1CCC(F)CC1=C;OFYCCPMCZYALKM-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188475;MM188475;C=C1CC(C)CCC1=O;VXSZGGPJLNGCAH-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188476;MM188476;C=C1CC(O)CCC1=O;VUMSKMIIUQSKIS-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188477;MM188477;C=C1CCC(C)CC1=O;HMHXIRIQUXNCGP-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188478;MM188478;C=C1CCC(O)CC1=O;ZHBQCBUTAJEQAZ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188479;MM188479;C=C1CCC(F)CC1=O;WUDCRULAJOFOAF-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188480;MM188480;O=C1CCC(O)CC1=O;XCLPCONJMPYPPH-UHFFFAOYSA-N;128.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188481;MM188481;O=C1CCC(F)CC1=O;GNIJGWLGUYFNQU-UHFFFAOYSA-N;130.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188482;MM188482;C=C1CNC(C)CC1=C;MHUZQSFFTLFTFY-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188483;MM188483;C=C1COC(C)CC1=C;XLWJZDCKWWTVJE-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188484;MM188484;C=C1COC(C)OC1=C;QRUJORNZLIMMDI-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188485;MM188485;Nc1n[nH]c(N)n1;PKWIYNIDEDLDCJ-UHFFFAOYSA-N;99.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188486;MM188486;C=C1CCN(C)CC1=O;QJSIBGOQMGKWCN-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188487;MM188487;CN1CC(C)(O)C=N1;BPVDVXCZUCZOKY-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188488;MM188488;C=C1CCN(C)NC1=N;YZVSGPCPFQBRPB-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188489;MM188489;N=C1CC(=O)C(=N)N1;PDZKURZYOTUGLK-UHFFFAOYSA-N;111.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188490;MM188490;C=C1CCN(C)NC1=O;OOPRMDAMNNHMFQ-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188491;MM188491;CN1CCC(=O)C(=O)N1;RYPBABYKCRRDLR-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188492;MM188492;C=C1CCC(=C)C(=C)C1;AMBNQWVPTPHADI-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188493;MM188493;C=C1CCC(=O)CC1=C;SLKAPIKBARZMOP-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188494;MM188494;C=C1CCC(=O)C(=C)C1;QOKSWZACZLLLSB-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188495;MM188495;C=C1CC(=O)CCC1=O;UKJBKNUUGOXZBM-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188496;MM188496;C=C1CCC(=C)C(=O)C1;FIVLPMOFBOHJCT-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188497;MM188497;C=C1CCC(=O)CC1=O;ORWRTNNVEKZEDW-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188498;MM188498;C=C1CCC(=O)C(=O)C1;FMUMQGVUSPKDCC-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188499;MM188499;C=C1CNC(=N)CC1=C;ODCLQGRVNVREJA-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188500;MM188500;C=C1CNC(=O)CC1=C;SHFBPKZQQKFTQT-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188501;MM188501;C=C1CC(=N)NCC1=O;DVTAOXQHODVECR-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188502;MM188502;C=C1CC(=O)NCC1=O;NTNLIVFPJMCXRC-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188503;MM188503;C=C1COC(=O)CC1=C;VXIIHBNCLKLFCJ-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188504;MM188504;C=C1CC(=C)C(=O)CO1;WTJUAENRLCMNMC-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188505;MM188505;C=C1CC(=O)OCC1=O;UPPDIFSRAVUKIJ-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188506;MM188506;Nc1n[nH]c(=O)cc1O;RGDQTHDTBIIXRV-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188507;MM188507;CN(O)C(=O)C(C=O)C=O;GCISFQULVJKGOX-UHFFFAOYSA-N;145.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188508;MM188508;C=C1CCC(=N)NC1=C;PVLFAYXVMRTUOI-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188509;MM188509;C=C1CCC(=O)NC1=C;JPUUOQKFEZMHSC-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188510;MM188510;C=C1NC(=N)CCC1=O;UQYYRUYICWNKRF-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188511;MM188511;C=C1NC(=O)CCC1=O;IGFSCKNSVXXKJV-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188512;MM188512;C=C1CCC(=C)C(=N)N1;QXFPCGQLZNZFDE-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188513;MM188513;C=C1CCC(=N)NC1=N;JVUYYEDMVFJPPS-UHFFFAOYSA-N;123.16;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188514;MM188514;CC1(C)NC1C(F)C=O;JGDDMSIMABRDFP-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188515;MM188515;C=C1CCC(=O)C(=N)N1;ZMDPGVAULYLZEB-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188516;MM188516;C=C1CCC(=C)C(=O)N1;YPQMHCLPNLEBGE-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188517;MM188517;CCN1CC(C)(O)C=N1;JPCMXKFIOQPCOB-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188518;MM188518;C=C1CCC(=O)NC1=O;FFERQCSBWBFDJA-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188519;MM188519;C=C1CCC(=O)C(=O)N1;NVDRZOKDMOGQGB-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188520;MM188520;C=C1NC(=N)NCC1=O;CULKPFVHGAZNCF-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188521;MM188521;NN=c1[nH]c(=O)nc(N)o1;IJFMVAAKLMEOKU-UHFFFAOYSA-N;143.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188522;MM188522;O=c1cc2[nH]oc(O)c-2o1;PAJWMQWDTNAAKV-UHFFFAOYSA-N;141.08;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188523;MM188523;Cc1nn(N)c(=N)n1O;HHICYZFMVIWWBX-UHFFFAOYSA-N;129.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188524;MM188524;N=c1cc(F)n(O)cn1;NPMPAJGOHGNRKW-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188525;MM188525;N#CC(=NCC=O)NC=O;HJPMFSYNEBLHKX-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188526;MM188526;Nc1noc(=O)c(=O)n1O;VJMKEXYCYYCVJZ-UHFFFAOYSA-N;145.07;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188527;MM188527;C=C(C)C#CC(C#N)=NO;PXFCMVKZAYJYBU-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188528;MM188528;CC(C)(F)CC(C#N)=NO;FCDARAQEGYUOHT-UHFFFAOYSA-N;144.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188529;MM188529;C=C1CCC(=C)C(=C)O1;QWIUWYLJQZXNJA-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188530;MM188530;C=C1CCC(=O)OC1=C;YYAYNBOZAPHQEN-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188531;MM188531;C=C1CCC(=O)C(=C)O1;NRWZUPFBWILQHI-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188532;MM188532;C=C1OC(=O)CCC1=O;QYCWISDUWSZYOF-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188533;MM188533;C=C1CCC(=C)C(=O)O1;ZMXNYEAWFLUSIC-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188534;MM188534;C=C1CCC(=O)OC1=O;RDUXDNVQXJZSPY-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188535;MM188535;C=C1CCC(=O)C(=O)O1;HFOYOGYSAJDTDD-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188536;MM188536;O=C1CCC(=O)C(=O)O1;MMIUVGRZSMZLQE-UHFFFAOYSA-N;128.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188537;MM188537;Nc1nn(O)c(=O)o1;FDEFKARQSYVLLA-UHFFFAOYSA-N;117.06;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188538;MM188538;C=Nn1nnn(O)c1=O;BVYRTPIKNGBVKB-UHFFFAOYSA-N;129.08;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188539;MM188539;CNc1nn(O)c(=O)o1;RCNPNJHKNVHUAS-UHFFFAOYSA-N;131.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188540;MM188540;O=c1[nH]oc(=O)c(=O)o1;LAFQNUMSHSREEE-UHFFFAOYSA-N;131.04;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188541;MM188541;CC1C=CC(=N)N(C)C1;RWKICJWVSBWTCK-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188542;MM188542;CN1CC(F)C=CC1=N;RVXWKEZBRZXXPK-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188543;MM188543;Cn1cc(O)ccc1=N;MTKIHWQITMKJIO-UHFFFAOYSA-N;124.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188544;MM188544;C=C1C=CC(=O)N(C)C1;IQXXRULWTVAJPZ-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188545;MM188545;Cn1cc(O)ccc1=O;JTZUTFHXEWRKJR-UHFFFAOYSA-N;125.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188546;MM188546;CN(C)c1nn(O)c(=O)o1;VICGDOZBSPYHFF-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188547;MM188547;C=Cn1ncc(=N)n1O;SQUCJPOYTGKEDL-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188548;MM188548;C=Cc1nc(O)n(O)n1;ZPBJQXQHLYMKIL-UHFFFAOYSA-N;127.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188549;MM188549;C=CCN1CC(C)(O)C=N1;XHHDRMGLELXARB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188550;MM188550;Cc1cn(O)nc1O;UKVJUGZHEPQFQK-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188551;MM188551;C#CCOC(C#N)C=NO;FYTGXLJEMYMEEA-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188552;MM188552;Nc1[nH]nc(F)c1O;CHMUZYRDEIJYRE-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188553;MM188553;Nc1oc(=NO)[nH]c1O;YWTVDBAONBUXFA-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188554;MM188554;Cn1[nH]c(=O)nnc1=O;AMMHEQMHRIHSBL-UHFFFAOYSA-N;128.09;-2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188555;MM188555;COc1[nH]nc(O)c1N;IFRLPDBISMOSMF-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188556;MM188556;CCN=C(C)NC(=O)C#N;WTMWWYKQAYATOQ-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188557;MM188557;Cn1oc(=O)ccc1=O;XQBJKKQTEVPWAT-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188558;MM188558;Nn1oc(=O)ccc1=O;RFYGAYZFCVWJAU-UHFFFAOYSA-N;128.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188559;MM188559;NN=c1n(N)oc(=O)n1O;TUCOHKVMFGPBCH-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188560;MM188560;Cn1oc(=N)ncc1=N;FWHOBHGNVFZIKQ-UHFFFAOYSA-N;126.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188561;MM188561;Cn1oc(=O)ncc1=N;XHTYFCWCRGZQRT-UHFFFAOYSA-N;127.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188562;MM188562;Cn1oc(=N)ncc1=O;XSPKARFVSJXALC-UHFFFAOYSA-N;127.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188563;MM188563;Cn1oc(=O)ncc1=O;SUDFNAFJXJIZNA-UHFFFAOYSA-N;128.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188564;MM188564;N=c1ncc(=N)n(N)o1;KYDDWUATUNWLGX-UHFFFAOYSA-N;127.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188565;MM188565;N=c1cnc(=O)on1N;VPIDTABVSQBNDJ-UHFFFAOYSA-N;128.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188566;MM188566;N=c1ncc(=O)n(N)o1;BBLNQFUQJVTQHZ-UHFFFAOYSA-N;128.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188567;MM188567;Nn1oc(=O)ncc1=O;RVVTZKCTRHKHRJ-UHFFFAOYSA-N;129.08;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188568;MM188568;C#CCN1CC(C)(O)C=N1;NKSYZJVNVYQJQA-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188569;MM188569;CC1CN1CC(C)(O)CF;PPQAHSNWVRVMAR-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188570;MM188570;Cc1nc(O)n(O)c(=N)n1;PHIZOZZQWRWQQB-UHFFFAOYSA-N;142.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188571;MM188571;CN=c1[nH]c(C=O)co1;AZCHXNCPFCIWAR-UHFFFAOYSA-N;126.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188572;MM188572;N=c1nnc(=N)n(N)o1;PHZVQTNSPYPRKE-UHFFFAOYSA-N;128.1;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188573;MM188573;N=c1nnc(=O)on1N;LYOUZPABJQGDBD-UHFFFAOYSA-N;129.08;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188574;MM188574;C=NOCCC(O)C#CC;YFIJJVAILOWFMJ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188575;MM188575;CC=NN=CN(C)NC=O;JEEOHJATTCCJON-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188576;MM188576;O=c1nc(F)on1O;ZPRZBGKVZSSWET-UHFFFAOYSA-N;120.04;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188577;MM188577;N=c1c(=O)o[nH]c(=O)n1O;CNHHJOGHHRPPFI-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188578;MM188578;CC1C=CN(C)C(=N)C1;VSNICPVCHNFIAU-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188579;MM188579;N=C1CC(O)C=CN1N;SUZLMMORFFDQGX-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188580;MM188580;N=C1CC(F)C=CN1N;LFYHCHGWLZTDNZ-UHFFFAOYSA-N;129.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188581;MM188581;CC1C=CN(O)C(=O)C1;BBYZONZLTGKJSY-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188582;MM188582;Cn1ncc(O)cc1=O;JTEWEGJCDPOJFI-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188583;MM188583;Cn1ccc(N)nc1=N;COHMNJBAKKBZHM-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188584;MM188584;N=c1nc(N)ccn1N;WMFLUORZABKMPQ-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188585;MM188585;N=c1nc(N)ccn1O;JEAKJIAEILBXAR-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188586;MM188586;CC(C)C(O)C(CO)=NN;LGBLIEBJQCCWHY-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188587;MM188587;C=C(C=NN)C(F)C(N)=O;ZPPHBJXRQVWXOC-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188588;MM188588;Cn1nnc(=N)n(O)c1=O;JEDWPTDRZKMEBV-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188589;MM188589;C#CCN=C(C#N)NC=O;WPBKIOQDBFHSKL-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188590;MM188590;Nc1nn(O)c(=O)oc1=O;LLWVPYGAONOPKJ-UHFFFAOYSA-N;145.07;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188591;MM188591;N#CC(=O)OC(CO)=NO;JNQPXGPGUGASTR-UHFFFAOYSA-N;144.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188592;MM188592;C=CC(=C)OC(C#N)=NO;BTBVLURGULQBRI-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188593;MM188593;N#CC(=NO)OCCO;CGJMHDRBWXDBDJ-UHFFFAOYSA-N;130.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188594;MM188594;Cn1ncc(N)nc1=N;PBQGHFYZJXMQBH-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188595;MM188595;N=c1nc(N)cnn1O;OAGUESJWOMKCJH-UHFFFAOYSA-N;127.11;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188596;MM188596;C=CC(=O)NC(=N)C#N;ZMPHZGARLMFLFA-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188597;MM188597;Cn1ncc(N)nc1=O;PFIOZJBSESOVGS-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188598;MM188598;N#CC(CC1CO1)=NO;FDXZTWCWWQXQOF-UHFFFAOYSA-N;126.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188599;MM188599;C=C(C(C)C)C(O)C=NN;UUKNSBWEYQXFJF-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188600;MM188600;C=NN=CC(CF)=NO;IYORWSBABDHMRV-UHFFFAOYSA-N;131.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188601;MM188601;Cc1c(O)on(O)c1=NO;NEGDXAAKMWMNOC-UHFFFAOYSA-N;146.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188602;MM188602;Cc1on(O)c2nncc1-2;CILLYHOASKQPQN-UHFFFAOYSA-N;139.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188603;MM188603;CC(O)C(COC=O)=NO;MNDSEBYTFATCDL-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188604;MM188604;CC(OC=O)C(CO)=NO;DQQTVKGLKYUBAU-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188605;MM188605;N=Cn1c(O)cncc1=O;XGYYMDZCAOECHM-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188606;MM188606;CN=c1nnoc(C)c1O;WWLSGGLCPCDGMO-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188607;MM188607;CC(=O)C(C)(F)C=NO;CXYSSBTVFZPTAO-UHFFFAOYSA-N;133.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188608;MM188608;C#Cc1n[nH]c(CO)c1O;YTLCWCPNTAIVSK-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188609;MM188609;CN=CN=CNC(=O)C#N;QANHFYDKWLVIIW-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188610;MM188610;Nn1c(=O)n(O)c(=O)n1N;NBGSUPSQAXLMKU-UHFFFAOYSA-N;147.09;-3.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188611;MM188611;O=c1[nH]c(O)c(F)[nH]1;WYIFVKRFEJROPL-UHFFFAOYSA-N;118.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188612;MM188612;Cn1ncc(=O)oc1=N;ZGDREWDSGFCQRH-UHFFFAOYSA-N;127.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188613;MM188613;N=c1oc(=O)cnn1N;PZSOCCIZMVALOO-UHFFFAOYSA-N;128.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188614;MM188614;C=NNC1=NC(C)C(C)=C1;GDAQJXYSXYFZRN-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188615;MM188615;Cn1ncc(=O)oc1=O;KFPUAWPWVOOOAB-UHFFFAOYSA-N;128.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188616;MM188616;Nn1ncc(=O)oc1=O;XACJDPCFQVDBLI-UHFFFAOYSA-N;129.08;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188617;MM188617;N#Cc1nn(O)c(=O)o1;DWGDLDNNNLBCCV-UHFFFAOYSA-N;127.06;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188618;MM188618;Cn1nnc(=N)oc1=N;WUURBLQSVFFADW-UHFFFAOYSA-N;127.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188619;MM188619;Cn1nnc(=O)oc1=N;PNSVDPXZCCBGIR-UHFFFAOYSA-N;128.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188620;MM188620;N=c1nnn(N)c(=N)o1;CFPCICIWCHPRGB-UHFFFAOYSA-N;128.1;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188621;MM188621;N=c1oc(=O)nnn1N;MEUPPSSFAUKUCQ-UHFFFAOYSA-N;129.08;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188622;MM188622;Cn1nnc(=N)oc1=O;KEQQIQBRNTZMFK-UHFFFAOYSA-N;128.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188623;MM188623;Cn1nnc(=O)oc1=O;YVXHLMICKOYPMT-UHFFFAOYSA-N;129.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188624;MM188624;N=c1nnn(N)c(=O)o1;BUWSNPHDLNBYHG-UHFFFAOYSA-N;129.08;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188625;MM188625;Nn1nnc(=O)oc1=O;JYUILNFZWFBMQE-UHFFFAOYSA-N;130.06;-2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188626;MM188626;Cn1c(F)c(O)nnc1=O;YXOBBLHONPDQTF-UHFFFAOYSA-N;145.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188627;MM188627;Nc1cc(F)n(O)c(=O)n1;PXIHLIMDBQXJBZ-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188628;MM188628;Cn1ccc(=O)c(O)c1;KRBOPJCIZALTNX-UHFFFAOYSA-N;125.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188629;MM188629;Cn1cnc(=O)c(O)c1;CCHORSDONBMPAU-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188630;MM188630;O=c1ncn(O)cc1O;XCECGKABXHPKDZ-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188631;MM188631;Cn1ncc(=O)c(N)n1;PLURCHIJHPQMSB-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188632;MM188632;O=c1[nH]oc(=NO)n1O;ULBWYRJMZOJXKW-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188633;MM188633;Cn1nnc(=N)c(N)n1;ZPUKIAZAWPAKHQ-UHFFFAOYSA-N;126.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188634;MM188634;CN(C=N)C(=O)CC=NN;BOGCTYSYPSMVAV-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188635;MM188635;O=CC1=CC(=O)N(O)C1;XCLVNFPMOCPKRA-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188636;MM188636;O=CNNC(=O)NC=O;SBEOXPUUJVLOCP-UHFFFAOYSA-N;131.09;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188637;MM188637;Cn1ccc(=O)c(=O)o1;SQUYCECVCRVBEH-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188638;MM188638;Nn1ccc(=O)c(=O)o1;MWUNOGUNCJPVCP-UHFFFAOYSA-N;128.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188639;MM188639;O=c1ccn(O)oc1=O;WBLHHYGSTWEIFV-UHFFFAOYSA-N;129.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188640;MM188640;Cn1cnc(=N)c(=O)o1;CINAFSVYDMIOSQ-UHFFFAOYSA-N;127.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188641;MM188641;N=c1ncn(N)oc1=O;VWXUPJJEKOJTQD-UHFFFAOYSA-N;128.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188642;MM188642;C=NNCCCC(O)C=O;AEIVUXGRPFCZOL-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188643;MM188643;Cn1cnc(=O)c(=O)o1;RJLLREZLXBKSLC-UHFFFAOYSA-N;128.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188644;MM188644;Nn1cnc(=O)c(=O)o1;FTOURSBIPBUKCG-UHFFFAOYSA-N;129.08;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188645;MM188645;O=c1ncn(O)oc1=O;FGZLDHXXZKCUFT-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188646;MM188646;Cn1nnc(=N)c(=O)o1;UGTMQHQOVJLQQQ-UHFFFAOYSA-N;128.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188647;MM188647;Cn1nnc(=O)c(=O)o1;ZDCCTIMNSYFRQO-UHFFFAOYSA-N;129.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188648;MM188648;C=c1ccc(=N)[nH]c1=C;UEWVFHLVEZQQKU-UHFFFAOYSA-N;120.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188649;MM188649;C=c1ccc(=O)[nH]c1=C;ZUFWEDJRUDJKFC-UHFFFAOYSA-N;121.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188650;MM188650;C=c1ccc(=C)c(=N)[nH]1;IDXIVDHENLFVJP-UHFFFAOYSA-N;120.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188651;MM188651;C=c1ccc(=C)c(=O)[nH]1;ZPCOMACBTBAASL-UHFFFAOYSA-N;121.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188652;MM188652;C=c1cnc(=N)[nH]c1=C;WIJXWMKLRVDRSJ-UHFFFAOYSA-N;121.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188653;MM188653;C=c1cnc(=O)[nH]c1=C;ZRZJLGSPDGUPIE-UHFFFAOYSA-N;122.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188654;MM188654;N=C1NC(=O)N=CC1=O;ZTSZBISZROPZNZ-UHFFFAOYSA-N;125.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188655;MM188655;C=C1C=NC(=N)NC1=O;TUPMEWBPUNGROU-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188656;MM188656;N=C1N=CC(=O)C(=O)N1;OXFCTVJAAPSQLK-UHFFFAOYSA-N;125.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188657;MM188657;CON=c1o[nH]c(=O)n1O;PGHREQXKULXNSZ-UHFFFAOYSA-N;147.09;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188658;MM188658;C=c1cnc(=N)c(=C)o1;WMHFAIUUFFXZHK-UHFFFAOYSA-N;122.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188659;MM188659;C=c1cnc(=O)c(=C)o1;AXYHDNQDWKTZMB-UHFFFAOYSA-N;123.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188660;MM188660;C=C1CC=C(C)CC1F;BRHLSNCKELOWOX-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188661;MM188661;CC1=CCC(=N)N(C)C1;YDDCZSCLVUQZIT-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188662;MM188662;CN1CC(F)=CCC1=N;QHCDZFYENZEGOM-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188663;MM188663;CC1=CCC(=O)N(C)C1;AWRWGUONBVZLRB-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188664;MM188664;CN1CC(F)=CCC1=O;FYRXJLUQSLGPEK-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188665;MM188665;CC1=CCC(=N)N(N)C1;IXLNYBPHZOUPHJ-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188666;MM188666;N=C1CC=C(F)CN1N;DOCHTDQBMIIQDF-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188667;MM188667;CC1=CCC(=O)N(N)C1;RMDMQCOXDPEDBR-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188668;MM188668;C=NNC(CO)C(O)CO;QIDUTUPRZKAOMO-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188669;MM188669;CC1=CCN(C)C(=N)C1;LRQGOFOYRIGVJC-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188670;MM188670;CN1CC=C(F)CC1=N;NBNRMTOAMDUTKA-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188671;MM188671;CC1=CCN(N)C(=N)C1;WAAGTRKBFXPDDM-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188672;MM188672;N=C1CC(F)=CCN1N;OPLHCDIJWATZKP-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188673;MM188673;CC1=CCN(C)C(=O)C1;PTSRTYDYHWUBJZ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188674;MM188674;CN1CC=C(F)CC1=O;PVJRFFQUEBZYSP-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188675;MM188675;CC1=CCN(N)C(=O)C1;HDOYIMRWGQURHK-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188676;MM188676;C#CCC(=NN)C(O)C=C;DDABFFJKKSHULX-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188677;MM188677;CC1=CCN(O)C(=N)N1;IFRFXCWSUBWEFV-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188678;MM188678;C=C1CC=C(C)CC1=C;JOEKEMUFUYSWAC-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188679;MM188679;C=C1CC=C(F)CC1=C;QAXWICQSNSYWEH-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188680;MM188680;C=C1CC(C)=CCC1=O;ZOEXKSCTQZWUKK-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188681;MM188681;C=C1CC(F)=CCC1=O;OLLVXPDMDBSOJL-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188682;MM188682;C=C1CC=C(C)CC1=O;AFACBSMPTCGERV-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188683;MM188683;Cn1cnc(=O)nc1O;NPRMJPOPXSWHBL-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188684;MM188684;ON=c1on(O)c(O)c1O;AJLDZFRZSIFUMO-UHFFFAOYSA-N;148.07;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188685;MM188685;Cc1coc(=O)c(=O)o1;NNMHDLKVEKYZDV-UHFFFAOYSA-N;128.08;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188686;MM188686;Nc1coc(=O)c(=O)o1;YBYNICWWPGOTNA-UHFFFAOYSA-N;129.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188687;MM188687;N#Cc1occ(O)c1N;BJGCLRKDMHRCHV-UHFFFAOYSA-N;124.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188688;MM188688;O=c1occ(F)oc1=O;DRTVUJAUEMNIQZ-UHFFFAOYSA-N;132.05;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188689;MM188689;Cc1noc(=O)c(=O)o1;HOSRFMQSAJLHGO-UHFFFAOYSA-N;129.07;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188690;MM188690;CNC(NC=O)=C(C)C#N;DKSHQKKLLBIDCY-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188691;MM188691;N#CC(C#N)C#CCCO;BLTNRPBMWLXAOL-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188692;MM188692;O=c1onc(F)oc1=O;NVDYLKIDLSLSHK-UHFFFAOYSA-N;133.03;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188693;MM188693;Cc1c(F)n(O)cnc1=N;FTDWTZSXSUNQOW-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188694;MM188694;Cc1noc(=O)nc1N;BCWIMBNINRQWAC-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188695;MM188695;Cc1c(F)oc(=NN)n1O;GGJCTJFDLJEPGV-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188696;MM188696;Nc1nc(=O)onc1F;NYYBQGVCMBIPCD-UHFFFAOYSA-N;131.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188697;MM188697;N#CC(CCC(F)F)=NO;YTHAZBPKIZLWQL-UHFFFAOYSA-N;148.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188698;MM188698;CC=CC(=O)NC(=N)C#N;MCDFUNRLJHPJQC-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188699;MM188699;Cc1nc(N)nc(=O)n1O;WGBSUFLHEFAJKY-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188700;MM188700;N=c1n(C=O)oc(=O)n1O;JESBBHPFWCVVSA-UHFFFAOYSA-N;145.07;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188701;MM188701;C=Nn1oc(=O)[nH]c1=O;YNWLELXDXAGZPN-UHFFFAOYSA-N;129.08;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188702;MM188702;N#CC(C=O)(C=NO)CF;AMXPUDCNJZXYQR-UHFFFAOYSA-N;144.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188703;MM188703;Nc1cnc(F)c(=O)[nH]1;HFMHJUJPDMIGMI-UHFFFAOYSA-N;129.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188704;MM188704;Cn1nc(O)c(N)c1O;IPHGRHFTRGSVQI-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188705;MM188705;CC1=CN(C)C(=N)CC1;OJUUYYWPFBKUFJ-UHFFFAOYSA-N;124.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188706;MM188706;CN1C=C(F)CCC1=N;CZNKTLRYHYXSLM-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188707;MM188707;CC1=CN(C)C(=O)CC1;JCDCQSCMWIKWCN-UHFFFAOYSA-N;125.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188708;MM188708;CN1C=C(F)CCC1=O;IQHYDVCGIOZBBI-UHFFFAOYSA-N;129.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188709;MM188709;CC1=CN(N)C(=N)CC1;YWUYLMYRVSXBIY-UHFFFAOYSA-N;125.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188710;MM188710;N=C1CCC(F)=CN1N;INAFCMUSNGXQOX-UHFFFAOYSA-N;129.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188711;MM188711;CC1=CN(N)C(=O)CC1;CKPURJBXWBZZCZ-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188712;MM188712;NN1C=C(F)CCC1=O;RUTNSIBNBBSVBZ-UHFFFAOYSA-N;130.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188713;MM188713;CC1=CN(O)C(=N)CC1;AZKROUZMIMTQBV-UHFFFAOYSA-N;126.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188714;MM188714;CC1=CN(O)C(=O)CC1;DWLUGEQFJJVMBJ-UHFFFAOYSA-N;127.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188715;MM188715;CC1=NN(C)C(=O)CC1;UVUMWFKDIBAAGY-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188716;MM188716;CC1=CC(=O)C(O)CC1;XMUMCUPQYQSARY-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188717;MM188717;NC1=CC(=O)C(O)CC1;USXKBLGMCWLLDS-UHFFFAOYSA-N;127.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188718;MM188718;CC1=CC(=O)C(F)CC1;CRHTVEFBQZHJSG-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188719;MM188719;CC1=CC(=N)N(C)CC1;GXBLRUHXCAFQSW-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188720;MM188720;CN1CCC(N)=CC1=N;OAKBAWLTQKMCIE-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188721;MM188721;CN1CCC(F)=CC1=N;RCHLSBNHKZPZNE-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188722;MM188722;CC1=CC(=N)N(N)CC1;BTPXKYXHRFDDGJ-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188723;MM188723;N=C1C=C(N)CCN1N;SYVCQLOTXKBDKR-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188724;MM188724;CC1=CC(=N)N(O)CC1;ZXBHEJYXIYBPLO-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188725;MM188725;N=C1C=C(N)CCN1O;YWVGLBOJDWVPRP-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188726;MM188726;NN=C(CO)ON=CCO;LKWCPDBFLKXHNS-UHFFFAOYSA-N;147.13;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188727;MM188727;CN=c1cc(F)n(O)cn1;KOCTVBSYGBMSQE-UHFFFAOYSA-N;143.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188728;MM188728;NN=c1cc(F)n(O)cn1;VUGBRGODRRQLHG-UHFFFAOYSA-N;144.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188729;MM188729;C=COc1cc(NC)[nH]n1;VHGMJWCCDRZDNQ-UHFFFAOYSA-N;139.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188730;MM188730;C=Cn1ncc(=NC)n1O;YVPAHBFWPDWSKQ-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188731;MM188731;CC1(O)C=NNC1;OEHXZPUAUUFIQT-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188732;MM188732;CC1=CC(=O)N(O)CC1;WMPSADGRZZRGHI-UHFFFAOYSA-N;127.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188733;MM188733;NC1=CC(=O)N(O)CC1;VTWSVGPRQDJFRJ-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188734;MM188734;O=C1C=C(F)CCN1O;NDEFRMVDONDRTQ-UHFFFAOYSA-N;131.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188735;MM188735;C=C1C=C(C)CCC1=C;IVKNUFGZVOWUNK-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188736;MM188736;C=C1C=C(F)CCC1=C;HAVLUUSZMVBQAH-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188737;MM188737;C=C1C=C(C)CCC1=O;HXXWAKMAZUFGEC-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188738;MM188738;C=C1C=C(F)CCC1=O;WRTWXSGESAHBIO-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188739;MM188739;C=C1CCC(C)=CC1=O;JJWPYKJYPSRYKE-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188740;MM188740;C=C1CCC(N)=CC1=O;WOWQCHJKFVUYRU-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188741;MM188741;C=C1CCC(F)=CC1=O;LNDBVXIVBHWVGP-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188742;MM188742;Nc1cc(=O)c(=O)o[nH]1;FNMIYGAVCRTIKA-UHFFFAOYSA-N;128.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188743;MM188743;C=CCn1cc(N)c(O)n1;AJQYSUBABACDSA-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188744;MM188744;CN=c1onc(O)n1C;FTHUWKNRCQCENU-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188745;MM188745;CNN=c1[nH]oc(=NO)o1;TXROUISFPCLQBN-UHFFFAOYSA-N;146.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188746;MM188746;Nc1nc(=O)c(=O)o[nH]1;ILPIUJBHLSRIAG-UHFFFAOYSA-N;129.08;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188747;MM188747;O=c1nc(F)c(F)nn1O;TUQFYEKJUAFGTN-UHFFFAOYSA-N;149.06;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188748;MM188748;Cc1ccc(=N)n(C)c1;KCRGVZGZRAZYCZ-UHFFFAOYSA-N;122.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188749;MM188749;Cn1cc(N)ccc1=N;WVRHSNCPZFVATE-UHFFFAOYSA-N;123.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188750;MM188750;Cn1cc(F)ccc1=N;ATEWJCYLAHOMEY-UHFFFAOYSA-N;126.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188751;MM188751;Cn1cc(F)ccc1=O;MZSVPTRXUHRPHP-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188752;MM188752;N=c1ccc(N)cn1N;WGGLGNYDRJJQFB-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188753;MM188753;N=c1ccc(O)cn1N;NCCARCQALGMFHQ-UHFFFAOYSA-N;125.13;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188754;MM188754;N=c1ccc(F)cn1N;KFUSRKVSJCXGKF-UHFFFAOYSA-N;127.12;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188755;MM188755;N=c1ccc(N)cn1O;UXEUBNWRGUYMGC-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188756;MM188756;N=c1ccc(F)cn1O;VJKUVXHQKHNMCS-UHFFFAOYSA-N;128.11;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188757;MM188757;Cn1cc(N)ncc1=N;ITUQCLSHYPJNTQ-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188758;MM188758;N=c1cnc(O)cn1N;UYGJVFXVTXQVBC-UHFFFAOYSA-N;126.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188759;MM188759;N=c1cnc(F)cn1N;KBDLLBWQGCJMHT-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188760;MM188760;Cc1cnc(=N)n(C)c1;DIOPFUZCKSWPKU-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188761;MM188761;Cn1cc(N)cnc1=N;TYLVPGSTEZIOFN-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188762;MM188762;Cn1cc(F)cnc1=N;OWRDGOWZXSNTGX-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188763;MM188763;Cc1cnc(=O)n(C)c1;INTGUMWWADWLDF-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188764;MM188764;C#Cc1c[nH]cn1;BJXDBXQZKWQSBV-UHFFFAOYSA-N;92.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188765;MM188765;Cn1cc(O)cnc1=O;PPEHGHNMBPQDMP-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188766;MM188766;Cn1cc(F)cnc1=O;YHPKZDOJZWPLRR-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188767;MM188767;Cc1cnc(=N)n(N)c1;SMTQUGAQRIHZOX-UHFFFAOYSA-N;124.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188768;MM188768;N=c1ncc(N)cn1N;HLKKONQZRDLIMF-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188769;MM188769;Cc1cnc(=O)n(N)c1;GVFDSJFIOWDGOF-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188770;MM188770;C#CC(O)CC=NN;KESMATFZVIRRGM-UHFFFAOYSA-N;112.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188771;MM188771;Nn1cc(O)cnc1=O;FZFJPLHSRKCTEL-UHFFFAOYSA-N;127.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188772;MM188772;Nn1cc(F)cnc1=O;YQABCBDGUQPCIK-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188773;MM188773;Cc1cnc(=N)n(O)c1;GUICJIZYNLNEQF-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188774;MM188774;N=c1ncc(N)cn1O;PLNAHCKATOAVEA-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188775;MM188775;N=c1[nH]c(=O)nc(F)o1;GVXLZBDTKHJVNN-UHFFFAOYSA-N;131.07;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188776;MM188776;O=c1occ(O)oc1=NO;NGABBYCMCZXTKP-UHFFFAOYSA-N;145.07;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188777;MM188777;Cn1oc(=NO)c(O)c1F;UZDOHAYCDBINKQ-UHFFFAOYSA-N;148.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188778;MM188778;Cc1n[nH]c(CO)nc1=O;GEHNDBSZYMPJMN-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188779;MM188779;Cc1ccc(=N)n(C)n1;LXGXPAAQZPSPFW-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188780;MM188780;N=c1ccc(F)nn1N;BOEUIGXFROGUOM-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188781;MM188781;CC1=CCN(N)C1=O;JPLDFZRGXRKDFM-UHFFFAOYSA-N;112.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188782;MM188782;Cc1ncc(=N)n(C)n1;ODURDSSPSMCRPK-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188783;MM188783;N#Cc1ccoc1O;LNEUQVDHMMTHDE-UHFFFAOYSA-N;109.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188784;MM188784;Cc1ncc(=N)n(N)n1;GRSGLULPQXYHED-UHFFFAOYSA-N;125.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188785;MM188785;CC(C=O)OC(C#N)=NO;MYRAORAYLULBJK-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188786;MM188786;Cn1nc(F)cnc1=N;FDCZLPJQNQRWCW-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188787;MM188787;Cc1cnc(=O)n(C)n1;HEIHMLAVDRVSOH-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188788;MM188788;Cn1nc(F)cnc1=O;PVVIQDBLIQNMOS-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188789;MM188789;N=c1ncc(F)nn1N;FDOCPPJAYBQKQY-UHFFFAOYSA-N;129.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188790;MM188790;Cc1cnc(=O)n(N)n1;YYYCWUXBBAJNKE-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188791;MM188791;Nn1nc(F)cnc1=O;KXBBVRRFTRIXRD-UHFFFAOYSA-N;130.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188792;MM188792;C#CC(O)CC(C)=NN;AWAZBBFUBPSULJ-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188793;MM188793;N=c1cnc(=O)[nH]nn1;IGVZDBOHOWBUPH-UHFFFAOYSA-N;125.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188794;MM188794;Nn1ncn(O)c(=O)c1=O;NWIRYGWPDWSGAL-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188795;MM188795;C=NOCC(=O)C(C)O;YKQJPADFAGCIML-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188796;MM188796;Cc1nnc(=O)n(C)n1;NIRCJOTZHATHDF-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188797;MM188797;C#CC(O)CC=NNC;BXOJNNPIMOEJIP-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188798;MM188798;C=NN=COC(CF)=NO;HSMOZQUESAGPNI-UHFFFAOYSA-N;147.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188799;MM188799;Cc1nnc(=N)n(N)n1;QVLBTWGFTVHFLP-UHFFFAOYSA-N;126.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188800;MM188800;C=C(CC)C(O)C=NN;UDXPUCJNNGFULF-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188801;MM188801;Cc1nnc(=O)n(N)n1;YYLBTIUVYCDSBI-UHFFFAOYSA-N;127.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188802;MM188802;C=CC1CN(N)C(=O)N1;VERLKCVVGFJLGP-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188803;MM188803;CC(F)=COC(CF)=NO;PEUIXVZCSXCUDM-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188804;MM188804;CN=c1cnn(C)n1O;XIJBRCZPTBTQEB-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188805;MM188805;N=c1occ(CO)n1O;ADEJGOGZWHXOAG-UHFFFAOYSA-N;130.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188806;MM188806;CN=c1nnc(=O)n(O)o1;WGENTSWAEQNFCD-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188807;MM188807;N=c1nnc(=O)n(O)o1;WAYSQWKUGLBAJZ-UHFFFAOYSA-N;130.06;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188808;MM188808;N#CC#CC(O)C=NO;SWNNRRPLHMHOFD-UHFFFAOYSA-N;124.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188809;MM188809;Cc1ccn(C)c(=N)c1;JIPSHGIBKGDJHE-UHFFFAOYSA-N;122.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188810;MM188810;Cn1ccc(N)cc1=N;MJFBPKHPQCFINE-UHFFFAOYSA-N;123.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188811;MM188811;Cn1ccc(F)cc1=N;YAFVAJFHDLFQCW-UHFFFAOYSA-N;126.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188812;MM188812;Cc1ccn(N)c(=N)c1;KVPXJFSWPHMSOV-UHFFFAOYSA-N;123.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188813;MM188813;N=c1cc(N)ccn1N;DATSJFMDNUKWQN-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188814;MM188814;N=c1cc(F)ccn1N;DLLWRRNBDCLIBA-UHFFFAOYSA-N;127.12;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188815;MM188815;Cc1ccn(O)c(=N)c1;AQVLYYLHMTVGSS-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188816;MM188816;N=c1cc(N)ccn1O;RPEMPSWSLRHKPB-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188817;MM188817;Cn1ccc(N)cc1=O;CRGNLDFNDMPVBN-UHFFFAOYSA-N;124.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188818;MM188818;Cn1ccc(F)cc1=O;GZNNOWOZICAFTA-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188819;MM188819;C=NN(C)C(=O)C1CO1;KUEHLAAKHRMEBE-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188820;MM188820;Nn1ccc(O)cc1=O;HOSRKOKCTFJFGU-UHFFFAOYSA-N;126.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188821;MM188821;Nn1ccc(F)cc1=O;JYFSBPZJGJQSJT-UHFFFAOYSA-N;128.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188822;MM188822;Cc1cc(=N)n(C)cn1;SMSVBHFPVKLLPH-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188823;MM188823;Cn1cnc(N)cc1=N;RAQDALKGEDGHRY-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188824;MM188824;N=c1cc(F)ncn1N;AVRKBXLPVARYTE-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188825;MM188825;CC(C)(CO)C(O)C=NN;LFKXGJUWOSKYFY-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188826;MM188826;Cc1cc(=O)n(C)cn1;NMCZEDGETGCRIZ-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188827;MM188827;C#CC(O)CC=NN(C)C;UTEVZXLIHYTWEO-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188828;MM188828;Cn1cnc(F)cc1=O;SDPJOIYSKZJKJE-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188829;MM188829;Cc1cc(=O)n(N)cn1;AFHGFPLZGSABPE-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188830;MM188830;NC(=O)ON=CN(N)C=O;ZRFMASJTNNBQRO-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188831;MM188831;Nn1cnc(F)cc1=O;IRXKPTWZSBLXSA-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188832;MM188832;OCC(COC=CF)=NO;JKOFJMIJIXRJEH-UHFFFAOYSA-N;149.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188833;MM188833;CCn1nc(O)c(N)c1O;OCCNVHRKYBDRDR-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188834;MM188834;Cn1ncc(N)cc1=N;JSPYWGSCDFRGQW-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188835;MM188835;N=c1cc(F)cnn1N;QQDKIARTEYAGRI-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188836;MM188836;C#CC(O)CC(C)=NNC;UZERLAJJGAPSHK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188837;MM188837;CNC(=O)CC(C)=NOC;QFWZDCSKKZOQTR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188838;MM188838;Cn1ncc(F)cc1=O;GKVJQINHVULWLT-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188839;MM188839;Cc1cnn(N)c(=O)c1;XONYOOPHVFWMOM-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188840;MM188840;C=C(CCC)C(O)C=NN;QFTJDPCXLKDDQN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188841;MM188841;Nn1ncc(F)cc1=O;IPKFNTURLJPBBY-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188842;MM188842;Cn1oc(=NN)nc1O;AQHSPUZQLHAHKX-UHFFFAOYSA-N;130.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188843;MM188843;C=Cc1n[nH]c(C=C)c1O;WWJBPSYXIBSKHS-UHFFFAOYSA-N;136.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188844;MM188844;Cc1cc(=N)n(C)nn1;ORCPGRSHBCMRIB-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188845;MM188845;C=NOC(=N)N(O)C=NN;CPHZOHXOFUFMTI-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188846;MM188846;Cn1nnc(F)cc1=N;ZMXOAQPVHGNQJN-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188847;MM188847;Cc1cc(=N)n(N)nn1;GUEIBAJGECDPEB-UHFFFAOYSA-N;125.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188848;MM188848;C#CCC(O)C(C)=NOC;DRRZFMACXIIPQM-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188849;MM188849;Cn1c(O)c(O)n(N)c1=O;BZICUOJPZYNHPF-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188850;MM188850;N=c1cc(F)nnn1N;QVNIOOKDBLJLNX-UHFFFAOYSA-N;129.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188851;MM188851;CC=NOCC(=O)C(C)O;WRMQKUSZIIVTGT-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188852;MM188852;CC(O)C(=O)C=NN=CN;LTLXPOASFCRICZ-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188853;MM188853;CCc1[nH]nc(N)c1O;PQSWWJLTHSAJFP-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188854;MM188854;CNCC(C#N)(C#N)CO;QTDFCJCVSBUNCK-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188855;MM188855;Cc1cc(=O)n(C)nn1;IQYGOUMANBBQMH-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188856;MM188856;Cn1nnc(N)cc1=O;ZVZGDRSQRPRPHI-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188857;MM188857;Cn1nnc(F)cc1=O;KECMYTJJPMFPGS-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188858;MM188858;Cc1cc(=O)n(N)nn1;GMXARJUIOPYZGE-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188859;MM188859;C#CC(O)CC(CC)=NN;XIGDMWMKKRXJEM-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188860;MM188860;Nn1nnc(F)cc1=O;ZOGYSABEARHOLE-UHFFFAOYSA-N;130.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188861;MM188861;C=NNC(C)C(=O)NOC;DRJCUTCYNJTKJS-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188862;MM188862;N#Cc1oc(=N)n(O)c1O;GGYAAJKLMKWQRE-UHFFFAOYSA-N;141.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188863;MM188863;NN=c1[nH]c(CO)nn1O;BQRRSCDTILAGIT-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188864;MM188864;Nc1oc(=O)n(O)c1O;BXBUPSHXPQLJPK-UHFFFAOYSA-N;132.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188865;MM188865;Cc1ccn(C)c(=N)n1;QATFIDKHZLEBGA-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188866;MM188866;Cn1ccc(F)nc1=N;YERBYXFBGPVFQD-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188867;MM188867;Cc1ccn(N)c(=N)n1;SIICUNPDUFKJBI-UHFFFAOYSA-N;124.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188868;MM188868;Cc1ccn(O)c(=N)n1;YEJYLJRANPAIGR-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188869;MM188869;Cc1ccn(C)c(=O)n1;NNSVNLJVWPLJJA-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188870;MM188870;Cn1ccc(F)nc1=O;LPULSDACNGEPBE-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188871;MM188871;Cc1ccn(N)c(=O)n1;QLJUIQWECPKPHV-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188872;MM188872;Nn1ccc(F)nc1=O;FGMPYVNJMIATAT-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188873;MM188873;O=c1n(O)cc(F)n1O;HCIPAFLWBKOMGS-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188874;MM188874;Cn1oc(=NO)n(O)c1=O;PHWKETDUUZJOBZ-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188875;MM188875;Cc1ncn(C)c(=N)n1;PYDGKSHPPJIHSC-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188876;MM188876;Cn1cnc(N)nc1=N;WEFGPZVEJBZJQU-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188877;MM188877;N=c1nc(N)ncn1N;BEEJQKOZVZRKHI-UHFFFAOYSA-N;126.12;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188878;MM188878;CN=c1cnc(=O)[nH]nn1;FKBCSMJOHPCNMX-UHFFFAOYSA-N;139.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188879;MM188879;Cc1ncn(C)c(=O)n1;RZXXTWVQGXJNDP-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188880;MM188880;CN=C(C)N(O)C(=N)CO;KWBLVOTZEBUVAQ-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188881;MM188881;NN=c1nnc(=O)n(O)o1;QHZWSNAPAPYKLP-UHFFFAOYSA-N;145.08;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188882;MM188882;Cc1ncn(N)c(=O)n1;CRZRKRFQVKCWOB-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188883;MM188883;NN=CCOCC(O)CO;QCXAEPTWBNPIMQ-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188884;MM188884;Nc1c(O)coc1F;WLUQXALJARCKQG-UHFFFAOYSA-N;117.08;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188885;MM188885;O=c1nnc(=NO)on1O;UICQWZMQVKSLRZ-UHFFFAOYSA-N;146.06;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188886;MM188886;CONC(=O)C=NNC=O;LJGFARJQLKMKHM-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188887;MM188887;Cn1ncc(F)nc1=N;LMAGRCULXWSKFA-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188888;MM188888;N=c1nc(F)cnn1N;HRRHUSFQHMFCKB-UHFFFAOYSA-N;129.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188889;MM188889;CON=C(C#CCO)CO;JPQZCCXBPZEMTI-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188890;MM188890;Cc1cnn(C)c(=O)n1;YIJMTHKFROAXAV-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188891;MM188891;Cn1ncc(F)nc1=O;ZFYIEIUMNPAZNH-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188892;MM188892;Cc1cnn(N)c(=O)n1;ZLECNIIOOKLGFN-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188893;MM188893;Nn1ncc(F)nc1=O;ZVLBZHPSDQTVIG-UHFFFAOYSA-N;130.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188894;MM188894;Cc1nnnn1O;MEQTVUGIYRHIHX-UHFFFAOYSA-N;100.08;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188895;MM188895;COn1cc(O)cn1;BXIPFHGZRHOXDS-UHFFFAOYSA-N;114.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188896;MM188896;Cc1nnn(C)c(=N)n1;JVHOXIRGQGYEBN-UHFFFAOYSA-N;125.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188897;MM188897;ON=c1cc(O)on1O;ZVINKUQHKRFCJE-UHFFFAOYSA-N;132.08;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188898;MM188898;Cc1nnn(N)c(=N)n1;RJOMZBAEPQYZGI-UHFFFAOYSA-N;126.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188899;MM188899;N=c1cnn(N)c(=N)n1O;PYGQREFDQFCHTJ-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188900;MM188900;N=c1n(N)nnc(=O)n1O;VUBQGIDZLVSQPL-UHFFFAOYSA-N;144.09;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188901;MM188901;Cn1nc(CF)c(=N)n1O;HIHNRTBQIACEQY-UHFFFAOYSA-N;146.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188902;MM188902;CNc1nn(O)cnc1=N;NUHSSMBELFPMHG-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188903;MM188903;Nc1cc(O)no1;SBAQXOKGHJGIGF-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188904;MM188904;Cc1nnn(C)c(=O)n1;JNRZJICQIKYQMW-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188905;MM188905;Cn1nnc(N)nc1=O;KSHYNSPWTQZAJC-UHFFFAOYSA-N;127.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188906;MM188906;Cn1cc(N)c(O)n1;AUZHYHBJZVEQNI-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188907;MM188907;Cc1nnn(N)c(=O)n1;BHIHDZLXKQOPLD-UHFFFAOYSA-N;127.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188908;MM188908;C=C(NC=O)N(C=N)C=O;IWFMRRMUHZDKDE-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188909;MM188909;C#CCc1nc(=N)o[nH]1;CGUIVIHJEZXQCE-UHFFFAOYSA-N;123.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188910;MM188910;N=c1[nH]nco1;APKZPKINPXTSNL-UHFFFAOYSA-N;85.07;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188911;MM188911;COc1nn(O)c(=O)o1;JAEPNWCOCINXOX-UHFFFAOYSA-N;132.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188912;MM188912;Cc1nnn(O)c(=O)n1;VZUOGEBDNWSQQQ-UHFFFAOYSA-N;128.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188913;MM188913;C=c1ccc(C)cc1=C;VDLSYSKIADNXQN-UHFFFAOYSA-N;118.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188914;MM188914;C=c1ccc(F)cc1=C;LTAZOKWPDBXTGJ-UHFFFAOYSA-N;122.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188915;MM188915;CC1=CC(=O)C(=O)C=C1;GYEMOVUSSDZYLQ-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188916;MM188916;NC1=CC(=O)C(=O)C=C1;QJCKLXINPRUZGR-UHFFFAOYSA-N;123.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188917;MM188917;O=C1C=CC(F)=CC1=O;KAAXOZWUPGCXMJ-UHFFFAOYSA-N;126.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188918;MM188918;CC1=CC(=O)C(=O)C=N1;XUVKMEBPNRAXPU-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188919;MM188919;CC1NCC(C=O)=CC1=O;ZIVDDEDKSYPOOM-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188920;MM188920;N#Cc1coc(=O)n1O;RXNFWLUJGZASEG-UHFFFAOYSA-N;126.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188921;MM188921;O=c1oc(=O)n(O)nc1F;AYXABBFQONTNBY-UHFFFAOYSA-N;148.05;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188922;MM188922;CC1=CC(C)CCC1C;VNVNLMHECHGTIC-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188923;MM188923;CC1=CC(O)CCC1N;JISSEFOUBXIOLP-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188924;MM188924;CC1=CC(F)CCC1N;VQSHWKBQBMOZLK-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188925;MM188925;CC1=CC(N)CCC1O;AGOPHZUCWXOLGU-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188926;MM188926;CC1=CC(O)CCC1O;XEDJURNSHAMGQW-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188927;MM188927;CC1=CC(F)CCC1O;MGBHIXHIKZMFSZ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188928;MM188928;CC1=CC(N)CCC1F;NARLFIRZPCQWPJ-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188929;MM188929;CC1=CC(O)CCC1F;TUFBVBTWEVCBFM-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188930;MM188930;CC1C=C(F)C(C)CC1;HPMJTADWJDARPJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188931;MM188931;CC1=NN(C)CCN1C;LIAJKJQRYZMHRJ-UHFFFAOYSA-N;127.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188932;MM188932;C=COc1cc(C=C)[nH]n1;INBCWJWYSDLEAM-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188933;MM188933;CN=c1c(C)nn(C)n1O;BLDZQGFQBOKOQE-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188934;MM188934;NN=c1ncn(O)nc1N;MONQFDDTZRUXLB-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188935;MM188935;CC1=NC(=N)CCN1C;WHWZRICYFSXHON-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188936;MM188936;CC#CC1NC(C=O)C1O;PDNJSIDFIXHGGL-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188937;MM188937;CCn1ncc(=NC)n1O;BBAHOEUMAYLXIN-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188938;MM188938;Nc1c(CO)c[nH]c1N=O;MMLHGMQYPWJKIQ-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188939;MM188939;CC1=NC(=O)CCN1O;CSMAQNIDSDBUNV-UHFFFAOYSA-N;128.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188940;MM188940;C=C1CCC(F)C=C1C;RGPQOEOGSJSWJJ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188941;MM188941;CC1=CC(F)CCC1=O;QOCLDGDQHPZDKT-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188942;MM188942;C=C1CCC(O)C=C1F;XMJLKLAHRPFXPW-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188943;MM188943;C=C1CCC(F)C=C1F;PJMQGGUVHDPLAZ-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188944;MM188944;C=NNC(=N)C1(O)CC1;BEGNJHDZXGPXQG-UHFFFAOYSA-N;127.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188945;MM188945;C=C1CCN(C)N=C1C;DIGAYSHEPPYNSI-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188946;MM188946;Cc1nn(C)c(=N)n1O;NDYLXOISFTVBTM-UHFFFAOYSA-N;128.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188947;MM188947;C=C1C=C(C)C(=C)CC1;OKTNEJWGSGLENX-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188948;MM188948;C=C1CCC(=O)C=C1C;PDSLZFBLXIVLBY-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188949;MM188949;C=C1C=C(C)C(=O)CC1;NAHFCMUWZWHAFI-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188950;MM188950;C=C1CCC(=O)C=C1N;INHWYUDNVNZXPD-UHFFFAOYSA-N;123.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188951;MM188951;C=C1C=C(F)C(=C)CC1;JCKBJHPAKXUXDF-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188952;MM188952;C=C1CCC(=O)C=C1F;PULLFDSYNSIKSB-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188953;MM188953;C=C1C=C(F)C(=O)CC1;WBSHDLAVGWFCPQ-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188954;MM188954;Cc1cc(=O)[nH]nc1N;QZVFOKXOLSGHLI-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188955;MM188955;Cc1cc(N)n[nH]c1=O;ZZKJQVFMINZLEC-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188956;MM188956;N=Cn1nc(N)c(F)n1;LTNQUJIYEYTOGN-UHFFFAOYSA-N;129.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188957;MM188957;Nc1cc(N)c(=O)[nH]n1;PKTRAILXXORTKQ-UHFFFAOYSA-N;126.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188958;MM188958;Nc1n[nH]c(=O)cc1F;UPTNNVWONOHXDP-UHFFFAOYSA-N;129.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188959;MM188959;Nc1cc(F)c(=O)[nH]n1;GENSYULLGPRYRS-UHFFFAOYSA-N;129.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188960;MM188960;Cc1[nH]c(C=O)nc1N;RZNZJJHRCRIXDR-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188961;MM188961;NN=C1C=CC(CO)O1;WHQLUSODDQVGQY-UHFFFAOYSA-N;128.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188962;MM188962;CCc1nnn(O)c(=O)n1;YAQQECVYCSTAMD-UHFFFAOYSA-N;142.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188963;MM188963;O=c1ncnnn1O;FWYQYFSMNHKCBX-UHFFFAOYSA-N;114.06;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188964;MM188964;CN(O)C(=N)C(=O)C(F)F;DPJYCFPCIXMINJ-UHFFFAOYSA-N;152.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188965;MM188965;Nc1noc(=O)nc1F;RVPRCFDZWBYZKK-UHFFFAOYSA-N;131.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188966;MM188966;N=c1oc(=O)[nH]c(=O)n1O;VUSCITFFALZDMW-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188967;MM188967;C=Cc1nn(O)c(=O)n1O;NCCDIWONEZIGNW-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188968;MM188968;Cc1cc(=O)ccn1C;KHHWWVUYCPMGEL-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188969;MM188969;Cc1cc(=O)ccn1N;FWFXANGAJPGZMD-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188970;MM188970;Cc1cc(=O)ccn1O;GCYGSPRUBLPMKC-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188971;MM188971;Cn1ccc(=O)cc1N;SQBPOFCRPQUJMQ-UHFFFAOYSA-N;124.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188972;MM188972;Nc1cc(=O)ccn1N;RZVXXZWCCHWQSU-UHFFFAOYSA-N;125.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188973;MM188973;Nc1cc(=O)ccn1O;GFXVBRWZWWUBGR-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188974;MM188974;Cn1ccc(=O)cc1O;ZZEOHKLXTVMMGR-UHFFFAOYSA-N;125.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188975;MM188975;Nn1ccc(=O)cc1F;ZONWPHGJBQVGPQ-UHFFFAOYSA-N;128.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188976;MM188976;O=c1ccn(O)c(F)c1;UUBNPTCUGFHHKH-UHFFFAOYSA-N;129.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188977;MM188977;Cc1cc(=N)ncn1C;GFOXDYLMBVDDEI-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188978;MM188978;Cc1cc(=O)ncn1C;YYVFIMAAXDJQCD-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188979;MM188979;Cc1cc(=N)ncn1N;DNDPSNIOBRXUTC-UHFFFAOYSA-N;124.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188980;MM188980;Cc1cc(=O)ncn1N;WLDGTYXEUPKYLL-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188981;MM188981;Cc1cc(=O)ncn1O;WFUHOGWNWQTASO-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188982;MM188982;Cn1cnc(=N)cc1N;ZUAAOXXNEILDIN-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188983;MM188983;Cn1cnc(=O)cc1N;NTBRADJRTMINKS-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188984;MM188984;N=c1cc(N)n(N)cn1;WJDJBEQRVREXMQ-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188985;MM188985;Nc1cc(=O)ncn1N;HBNAVTKCPOOEED-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188986;MM188986;Nc1cc(=O)ncn1O;TXAXTXHIIGFFPI-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188987;MM188987;Cc1cc(O)n(O)c(=O)n1;CPTYWBCLVBXOHU-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188988;MM188988;Cn1cnc(=N)cc1F;BYIGMRRLZALYRD-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188989;MM188989;Cn1cnc(=O)cc1F;HMHFQEJSTIMLII-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188990;MM188990;N=c1cc(F)n(N)cn1;ZRRICXALGVWSPP-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188991;MM188991;Nn1cnc(=O)cc1F;TXUVWBSBIWJSTQ-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188992;MM188992;C=CC(C)NC(=O)ON=C;ULWXAVDXTYCCPE-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188993;MM188993;O=c1cc(F)n(O)cn1;BMSYKPZULYXDPI-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188994;MM188994;Cc1cc(=N)nnn1C;CJKGTARCLGIDAI-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188995;MM188995;Cc1cc(=O)nnn1C;MNBIRWMTNSCQJE-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188996;MM188996;Cc1cc(=N)nnn1N;FYOACYBNJMHQMJ-UHFFFAOYSA-N;125.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188997;MM188997;Cc1cc(=O)nnn1N;FQQGAYPKLPDVNG-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188998;MM188998;Cc1cc(=N)nnn1O;WJJSIFUTEDSHRO-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM188999;MM188999;Cc1cc(=O)nnn1O;POCIYGBGXJWUOE-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189000;MM189000;Cn1nnc(=N)cc1N;RXVYJDJFUTWVFG-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189001;MM189001;Cn1nnc(=O)cc1N;ICORRPKNJZWDLV-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189002;MM189002;N=c1cc(N)n(N)nn1;UNPFBMTXDXNJQD-UHFFFAOYSA-N;126.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189003;MM189003;Nc1cc(=O)nnn1N;ZFQRSSXGGURYLQ-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189004;MM189004;N=c1cc(N)n(O)nn1;RJBNKXYAFZVOTL-UHFFFAOYSA-N;127.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189005;MM189005;Nc1cc(=O)nnn1O;VOFCFMISYQDYOG-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189006;MM189006;COc1n[nH]c(=O)[nH]1;ZDINYQOPDQBHQW-UHFFFAOYSA-N;115.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189007;MM189007;C=CC(=O)NC(C#N)=NC;KVXXTTDBBCLWLQ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189008;MM189008;Cn1c(N)nc(=O)nc1O;HWODMDXTUZMRBP-UHFFFAOYSA-N;142.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189009;MM189009;Cn1nnc(=N)cc1F;SZYRDZHULOFPEA-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189010;MM189010;Cn1nnc(=O)cc1F;QWXHOWBIHMKLLM-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189011;MM189011;N=c1cc(F)n(N)nn1;ZSZIJPVWAJNWKM-UHFFFAOYSA-N;129.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189012;MM189012;Nn1nnc(=O)cc1F;GJEHQVYFQBNBPZ-UHFFFAOYSA-N;130.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189013;MM189013;N=c1cc(F)n(O)nn1;METBQXMAWVZWGH-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189014;MM189014;O=c1cc(F)n(O)nn1;FURUCYAUIFZBEE-UHFFFAOYSA-N;131.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189015;MM189015;Cc1nc(=N)ccn1C;RQOQRWVVBWJEQC-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189016;MM189016;Cc1nc(=O)ccn1C;MZPFZEDFHHYDAI-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189017;MM189017;Cc1nc(=N)ccn1N;GEVDTJCBQZFANH-UHFFFAOYSA-N;124.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189018;MM189018;Cc1nc(=O)ccn1N;GGTFLTMDJWJLHL-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189019;MM189019;Cc1nc(=O)ccn1O;MTWWRXGOAJMKQG-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189020;MM189020;Cn1ccc(=N)nc1N;COHMNJBAKKBZHM-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189021;MM189021;C#CC(O)CC(N)=CC#N;YCGJPJVKJSGGQH-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189022;MM189022;N=c1ccn(N)c(N)n1;WMFLUORZABKMPQ-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189023;MM189023;CCC=C(C=NN)NC=O;NTBAKSXSPFSTFZ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189024;MM189024;C#Cc1nnn(O)c1F;JEPIZNHBPPTITG-UHFFFAOYSA-N;127.08;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189025;MM189025;CC(=NO)OC(CF)=NO;NIYDUKGQSONVAD-UHFFFAOYSA-N;150.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189026;MM189026;C=Nn1oc(=N)n(O)c1=O;JUENNJSKKCVESW-UHFFFAOYSA-N;144.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189027;MM189027;Cc1nc(=O)ncn1C;DCMLMTKGEDIXFJ-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189028;MM189028;Cc1nc(=O)ncn1N;JJHKRJKOEDPQRZ-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189029;MM189029;NN=CCC(F)(CO)CO;ODRZBYIWNQOUOR-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189030;MM189030;Cc1nc(=O)ncn1O;XGORAPXEEBVLJU-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189031;MM189031;Cn1cnc(=N)nc1N;WEFGPZVEJBZJQU-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189032;MM189032;C#CC(O)CC1(C#N)CN1;YNYKMJYHYOKZJP-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189033;MM189033;N=c1ncn(N)c(N)n1;BEEJQKOZVZRKHI-UHFFFAOYSA-N;126.12;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189034;MM189034;C=CN(O)C(=N)C(=O)CO;OYRBVQMHZOKAGX-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189035;MM189035;Nc1nc(=O)ncn1O;DVFFFIRVXNBTLH-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189036;MM189036;Oc1nncn1O;WJFAFECPQZOLRG-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189037;MM189037;CCn1cc(N)c(O)n1;JHHJIALTASUCMA-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189038;MM189038;N#CCn1cc(N)c(O)n1;ZQWLLDAEVSHIDE-UHFFFAOYSA-N;138.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189039;MM189039;C#CCn1cc(N)c(O)n1;MOAHNEQMWKVNOZ-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189040;MM189040;Cc1nc(=N)nnn1C;JVSPRSICCFXREC-UHFFFAOYSA-N;125.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189041;MM189041;Cc1nc(=O)nnn1C;MFQAHJYJYCOZLX-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189042;MM189042;Cc1nc(=N)nnn1N;KRDBKTDPOFDUEU-UHFFFAOYSA-N;126.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189043;MM189043;Cc1nc(=O)nnn1N;ZUDHSGLALYDHDG-UHFFFAOYSA-N;127.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189044;MM189044;C#CC(C)C(O)C=NNC;KNPDCKJSMPIQFU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189045;MM189045;Cc1nc(=O)nnn1O;JDHWBEAYIAGNTC-UHFFFAOYSA-N;128.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189046;MM189046;Cn1nnc(=O)nc1N;BHUVPNJCAULELU-UHFFFAOYSA-N;127.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189047;MM189047;Nc1nc(=O)nnn1N;QNIIXOYLPTYYLL-UHFFFAOYSA-N;128.1;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189048;MM189048;Nc1nc(=O)nnn1O;HBJYRMNSMGQJNN-UHFFFAOYSA-N;129.08;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189049;MM189049;CCn1c(=O)cn[nH]c1=N;JRAYPVBGRJOYKC-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189050;MM189050;Cc1nn(N)cc1O;CUVFWRNSLSRFBW-UHFFFAOYSA-N;113.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189051;MM189051;Cc1oc(=O)n(N)c1O;JQJJBMCYKHHZFM-UHFFFAOYSA-N;130.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189052;MM189052;Cn1c(F)c(O)n(N)c1=O;GNTAMOCGIMRHNJ-UHFFFAOYSA-N;147.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189053;MM189053;CNNC(=O)C(C=O)C=O;SSZSQZMQGVHJDA-UHFFFAOYSA-N;144.13;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189054;MM189054;Nn1[nH]c(=O)c(F)c1O;GOZRQJVJPKMCER-UHFFFAOYSA-N;133.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189055;MM189055;Cc1cn(C)ccc1=O;HOCLMYVQINQGNJ-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189056;MM189056;Cc1cn(N)ccc1=O;XJMWRHNSDHAQGS-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189057;MM189057;Cn1ccc(=O)c(N)c1;FGHIGWGYVPCKMB-UHFFFAOYSA-N;124.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189058;MM189058;Nc1cn(N)ccc1=O;XPVGVFMWEHBTCV-UHFFFAOYSA-N;125.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189059;MM189059;CNN=CNNC(=O)OC;DPGFHIZPHIMHHZ-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189060;MM189060;Nn1ccc(=O)c(F)c1;LSVLQJAJSQKPOP-UHFFFAOYSA-N;128.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189061;MM189061;O=c1ccn(O)cc1F;KOHSGZHCEZBCFD-UHFFFAOYSA-N;129.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189062;MM189062;Cc1cn(C)cnc1=N;GWMMNQNLAYPECY-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189063;MM189063;Cc1cn(N)cnc1=N;HNRBTZJDTPFWFP-UHFFFAOYSA-N;124.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189064;MM189064;Cc1cn(C)cnc1=O;NKVCWXBOVUSSMU-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189065;MM189065;Cc1cn(N)cnc1=O;XMPWRUFSVDURBF-UHFFFAOYSA-N;125.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189066;MM189066;Cc1cn(O)cnc1=O;GULQNGLUJGMJQQ-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189067;MM189067;Cn1cnc(=N)c(N)c1;YWCAVNCMUAWQOX-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189068;MM189068;N=c1ncn(N)cc1N;DJSFZNVSPICEGW-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189069;MM189069;C=NOC(=NN)N(O)C=N;OCELFSCHEGFOLX-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189070;MM189070;C#CCC(=NN)NNC=O;LOJTVTXGFZKUON-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189071;MM189071;Nc1cn(O)cnc1=O;UGOVCTQMJCKBQE-UHFFFAOYSA-N;127.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189072;MM189072;Nn1cnc(=O)c(O)c1;HKCICRLCZXJCCV-UHFFFAOYSA-N;127.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189073;MM189073;N=c1ncn(N)cc1F;JAZIWUYYIGFISO-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189074;MM189074;CCc1nn(C)c(=N)n1O;JGCOHIQCUZQBRP-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189075;MM189075;Cn1cnc(=O)c(F)c1;YDCYEKMQZUKCJN-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189076;MM189076;Nn1cnc(=O)c(F)c1;AHUSUONDZSHKKL-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189077;MM189077;O=c1ncn(O)cc1F;HQGRQBQBMSIUQR-UHFFFAOYSA-N;130.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189078;MM189078;Cc1cn(C)nnc1=N;UMOSGHVZUFLGHK-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189079;MM189079;Cc1cn(N)nnc1=N;LHLUERQPKKQDHJ-UHFFFAOYSA-N;125.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189080;MM189080;Cc1cn(O)nnc1=N;CVQHOYJZGXIGCQ-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189081;MM189081;Cc1cn(C)nnc1=O;DUNXPMQHKVUGFO-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189082;MM189082;Cc1cn(N)nnc1=O;AJVGTFYHHMOQLG-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189083;MM189083;Cc1cn(O)nnc1=O;GSDABHHIXODAEJ-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189084;MM189084;Cn1cc(N)c(=N)nn1;IZEFKSSGAYAKDB-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189085;MM189085;N=c1nnn(N)cc1N;IYIDBPTUBCQQLC-UHFFFAOYSA-N;126.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189086;MM189086;CN=c1oc(F)c(C)n1O;YKZNLAZUPXCBGN-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189087;MM189087;Cn1cc(N)c(=O)nn1;XIZGWLNGAPTEAN-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189088;MM189088;Nc1cn(N)nnc1=O;STPBYDIUQXJEDH-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189089;MM189089;Nc1cn(O)nnc1=O;WTYUPKKPCANQAR-UHFFFAOYSA-N;128.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189090;MM189090;Cn1cc(O)c(=O)nn1;JYEGGORFSWYZRR-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189091;MM189091;Cn1cc(F)c(=N)nn1;HHJUECKRRGXHBY-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189092;MM189092;N=c1nnn(N)cc1F;AMYVJUAVPOYACQ-UHFFFAOYSA-N;129.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189093;MM189093;N=c1nnn(O)cc1F;MHNWHYCUHTVTPM-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189094;MM189094;Cn1cc(F)c(=O)nn1;LFLVCAADPMQFDJ-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189095;MM189095;Nn1cc(F)c(=O)nn1;KPVCRFGFAHUSJD-UHFFFAOYSA-N;130.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189096;MM189096;O=c1nnn(O)cc1F;FADOCJOWIILWBH-UHFFFAOYSA-N;131.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189097;MM189097;Cc1nn(C)ncc1=O;XNEMQOMEZZUHDD-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189098;MM189098;Cn1ncc(=O)c(F)n1;RUEFMCRNSUUBEH-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189099;MM189099;N=CN(O)c1noc(=O)o1;KTKHNQUXTKTINU-UHFFFAOYSA-N;145.07;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189100;MM189100;Cc1nn(C)nnc1=N;JFXPXWOKNRNTOE-UHFFFAOYSA-N;125.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189101;MM189101;Cc1nn(C)nnc1=O;SWYOLJFCDKEYRQ-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189102;MM189102;Cn1nnc(=N)c(F)n1;MROGUZLFSNHEIY-UHFFFAOYSA-N;129.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189103;MM189103;Cn1nnc(=O)c(F)n1;DAQKSRBVCMNMPL-UHFFFAOYSA-N;130.08;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189104;MM189104;C=c1ccc(=C)c(C)c1;DVFFHKPGBUEMBV-UHFFFAOYSA-N;118.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189105;MM189105;C=c1ccc(=C)c(F)c1;WPEZTDBQOCHWJB-UHFFFAOYSA-N;122.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189106;MM189106;Nc1c[nH]c(=O)c(F)n1;GMHCLYUBRFJROJ-UHFFFAOYSA-N;129.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189107;MM189107;Cc1noc(=N)nc1C;XKUHEMHMQLMRTC-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189108;MM189108;Cc1noc(=O)nc1C;LHILEGJBOUAPTK-UHFFFAOYSA-N;126.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189109;MM189109;Cc1nc(=N)onc1F;JWTBWOMLSQECCB-UHFFFAOYSA-N;129.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189110;MM189110;Cc1nc(=O)onc1F;YPKRIJFFYXEFNL-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189111;MM189111;Cc1noc(=N)nc1F;PZBPHGWOHCBRJK-UHFFFAOYSA-N;129.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189112;MM189112;Cc1noc(=O)nc1F;SWDJWTWDYOSGGI-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189113;MM189113;N=c1nc(F)c(F)no1;RXEDTAKOADGBKD-UHFFFAOYSA-N;133.06;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189114;MM189114;O=c1nc(F)c(F)no1;IZSVIESFVUYTQN-UHFFFAOYSA-N;134.04;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189115;MM189115;CC1=C(F)CCC(F)C1;ADLAREJMRDXJFM-UHFFFAOYSA-N;132.15;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189116;MM189116;CC1=C(F)CC(C)CC1;CROKKJCBPVRHHF-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189117;MM189117;CC1=C(C)OCC(C)C1;IZUJGDYTZNPDLB-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189118;MM189118;CC1=C(C)OCC(N)C1;CXYLYVHRBZBZJQ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189119;MM189119;CC1=C(C)OCC(O)C1;SYMFOLUSRIOMPS-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189120;MM189120;CC1=C(C)OCC(F)C1;AIESTRNSZLMIJR-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189121;MM189121;CC1=C(C)OC(C)CO1;DXHJFSAGRRQOGK-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189122;MM189122;CC1=C(C)CN(C)CC1;UMVJFCZSLLVFMI-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189123;MM189123;CC1=C(F)CCN(C)C1;IEMITYNZEVORAD-UHFFFAOYSA-N;129.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189124;MM189124;C=C1CCC(C)=C(C)C1;ZCMGHNNOWWVSMD-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189125;MM189125;CC1=C(C)CC(=O)CC1;WBZQYNKJZBACLL-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189126;MM189126;C=C1CCC(F)=C(C)C1;YQHLGXXCHORROM-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189127;MM189127;CC1=C(F)CCC(=O)C1;ITMXLRMNCHMKBN-UHFFFAOYSA-N;128.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189128;MM189128;C=C1CCC(C)=C(F)C1;PDQWDBYOHRFPMG-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189129;MM189129;CC1=C(F)CC(=O)CC1;BVVAOBDCEZZRRD-UHFFFAOYSA-N;128.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189130;MM189130;C=C1COC(C)=C(C)C1;YFISEQODQWAVGN-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189131;MM189131;CC1=C(C)OCC(=O)C1;LUINUYNBTULDOT-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189132;MM189132;CC1=C(C)NC(=N)CC1;KXAMNZCFTKQNLX-UHFFFAOYSA-N;124.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189133;MM189133;CC1=C(C)NC(=O)CC1;RPWVPILCFCWEBP-UHFFFAOYSA-N;125.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189134;MM189134;CC1=C(F)CCC(=N)N1;HFVHEOPLVLSGMG-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189135;MM189135;CC1=C(F)CCC(=O)N1;WBTIIQZJKODOPQ-UHFFFAOYSA-N;129.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189136;MM189136;C=C1CCC(C)=C(C)O1;LCIIVDHZVUOXKL-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189137;MM189137;CC1=C(C)OC(=O)CC1;CZEOXNDFAPPJHG-UHFFFAOYSA-N;126.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189138;MM189138;C=C1CCC(F)=C(C)O1;XPGIFFJCIYFELR-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189139;MM189139;CC1=C(F)CCC(=O)O1;MYBSESVNAIPXAB-UHFFFAOYSA-N;130.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189140;MM189140;C=C1COC(C)=C(C)O1;ZBUSKUSVZLYSMY-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189141;MM189141;CC1=C(C)OC(=O)CO1;JCUHJOFPNMICIS-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189142;MM189142;Nc1ncc(=O)[nH]c1N;DQIWJKCYGSXNFC-UHFFFAOYSA-N;126.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189143;MM189143;Cc1c[nH]c(=N)oc1=N;UVAOXVSZJYYGBV-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189144;MM189144;N=c1[nH]cc(N)c(=N)o1;LUSXOVVLKVXQCY-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189145;MM189145;Cc1nnc(=N)oc1C;DYRADLCIRSOTJS-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189146;MM189146;Cc1nnc(=O)oc1C;QTLJQNHXWLPYIX-UHFFFAOYSA-N;126.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189147;MM189147;C=Cc1nn(O)cnc1=N;VFGJGDVGGXYTKW-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189148;MM189148;Cc1nnc(=O)oc1N;BXQUZDLUGNDKGG-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189149;MM189149;N=c1ncn(O)nc1C=O;UGYNPUWQGHYKHD-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189150;MM189150;Nc1nnc(=O)oc1N;YTODARXNKVVVJR-UHFFFAOYSA-N;128.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189151;MM189151;Nn1c(=NO)nc(O)n1O;ODCLMOQZVQEBEC-UHFFFAOYSA-N;147.09;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189152;MM189152;Cc1[nH]c(=O)oc1O;UKZJUFGCAXCITF-UHFFFAOYSA-N;115.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189153;MM189153;CCC(=O)C(=O)C(C)C=O;SCBCEZPHUBKMBB-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189154;MM189154;O=c1oc(F)cn1O;QQWDKPSMEWLGNV-UHFFFAOYSA-N;119.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189155;MM189155;O=c1nncnn1O;RFQUVMZKIIOJNN-UHFFFAOYSA-N;114.06;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189156;MM189156;Cc1nnc(=O)n(O)n1;AEHBVUKXZCAFIZ-UHFFFAOYSA-N;128.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189157;MM189157;Cc1nnc(=N)oc1F;OCXOSGXEOKFUTN-UHFFFAOYSA-N;129.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189158;MM189158;Cc1nnc(=O)oc1F;AGSDCEGUTFXTTC-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189159;MM189159;NN=C(CO)ON=CNO;KKAKEOJWJCFOAR-UHFFFAOYSA-N;148.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189160;MM189160;Nc1nnc(=O)oc1F;XHYWAVVMSKDZKE-UHFFFAOYSA-N;131.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189161;MM189161;CCc1nnc(=O)n(O)n1;XMSUXATZDCOXBK-UHFFFAOYSA-N;142.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189162;MM189162;O=c1nc(CF)nnn1O;QOTKCLKBZLVTDE-UHFFFAOYSA-N;146.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189163;MM189163;N=c1nnc(F)c(F)o1;JZULHTUVUXZKDT-UHFFFAOYSA-N;133.06;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189164;MM189164;O=c1nnc(F)c(F)o1;CRLYKCWNEHZZNP-UHFFFAOYSA-N;134.04;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189165;MM189165;CC1=COC(C)=C(C)C1;DUQYAJVAOUFVQD-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189166;MM189166;CC1=C(C)OC=C(F)C1;VKSMZKZVHCTDJE-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189167;MM189167;CC1=COC(C)=C(C)O1;XXWXKZZBGRFAEQ-UHFFFAOYSA-N;126.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189168;MM189168;CC1=CC(C)=C(C)CC1;NZQAGPGIQRRZRL-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189169;MM189169;CC1=C(C)CCC(F)=C1;GDFRCYWUDFKDKZ-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189170;MM189170;CC1=CC(C)=C(F)CC1;BUMDCRZZIAWWSP-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189171;MM189171;CC1=C(F)CCC(F)=C1;NWRYKCVNJLTNFT-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189172;MM189172;CC1=CC(F)=C(C)CC1;MUCYWLBFKHKIOO-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189173;MM189173;CC1=C(F)C=C(F)CC1;FRZHCEVIHMEPSO-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189174;MM189174;CC1C(N)CC2CC21N;YGOJZKIIQOHITK-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189175;MM189175;CC1C(O)CC2CC21N;QVEYUHWKTXRPEP-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189176;MM189176;NC1C(O)CC2CC21N;MKKVUGYFUUQQFN-UHFFFAOYSA-N;128.18;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189177;MM189177;CC1NC2CC2(C)C1C;DBKDNIRBHFYKKD-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189178;MM189178;CC1NC2CC2(N)C1C;FGANFAYBYAXCFF-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189179;MM189179;CC1NC2CC2(N)C1N;DVUNUAPDLYLQKN-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189180;MM189180;CC1NC2CC2(O)C1N;QAOZUGGCEHELTD-UHFFFAOYSA-N;128.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189181;MM189181;CC1NC2CC2(F)C1C;WUFNDHQUWZFOME-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189182;MM189182;CC1OC2CC2(N)C1C;FPYPQBRQIWISTA-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189183;MM189183;CC1OC2CC2(O)C1C;DELXWCCHQJBSOG-UHFFFAOYSA-N;128.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189184;MM189184;CC1OC2CC2(F)C1C;STEIVZPGRBMLNV-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189185;MM189185;CC1CC2CC2(C)N1C;AGIDVAAQNSKDFB-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189186;MM189186;NN=CC1=CC(CO)=CC1;HIGDUIOEIQPNBP-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189187;MM189187;C=C1CC2CC2(N)C1N;XLCPOBWGCSPQSC-UHFFFAOYSA-N;124.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189188;MM189188;C=C1OC2CC2(N)C1C;FQMNDFFVQCUXDK-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189189;MM189189;CN1C(=N)CC2CC21C;XUXLNSHMEYFGDP-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189190;MM189190;CN1C(=O)CC2CC21C;HNZNCBIWUUFIDC-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189191;MM189191;CC12CC1CC(=N)N2N;UHPNGNACKZRFMJ-UHFFFAOYSA-N;125.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189192;MM189192;CC12CC1CC(=O)N2N;ORINFMNGNOOFTK-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189193;MM189193;CN1C(=N)NC2CC21C;TYYSWLIYSMATAK-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189194;MM189194;CN1C(=O)NC2CC21C;UQPGSRRUACOVCA-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189195;MM189195;CC12CC1NC(=N)N2N;RGQXJOGDXXUTSM-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189196;MM189196;CN=c1n(C)nc(C)n1O;CFXUZUFSWZTWEZ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189197;MM189197;CN1C(=O)OC2CC21C;MXZIRAMELGDPPE-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189198;MM189198;N=Cc1cn[nH]c1;WNRHSVTUMLIWCB-UHFFFAOYSA-N;95.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189199;MM189199;C=C1CN2CC2(C)C1N;HASQPHUGRBTHGG-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189200;MM189200;C=C1C(C)CC2CC12C;JJCFCKIVXDMTAM-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189201;MM189201;C=C1C(N)CC2CC12C;GEOXEZSRBXHUPP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189202;MM189202;C=NOC(CO)=NN;CLYHTBPZVYZSRV-UHFFFAOYSA-N;117.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189203;MM189203;C=C1C(F)CC2CC12C;VGTXBSIVPZXHFI-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189204;MM189204;CC1CC2CC2(C)C1=O;LXUMEVLFMFYOPP-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189205;MM189205;C=C1C(C)CC2CC12N;XMUSYSWSOORIOE-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189206;MM189206;C=C1C(N)CC2CC12N;NALBAPRELFMQII-UHFFFAOYSA-N;124.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189207;MM189207;C=C1C(O)CC2CC12N;CEYQJQBGUPSKJS-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189208;MM189208;C=C1C(F)CC2CC12N;MRQGUDFHUZGCSK-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189209;MM189209;Cc1c(N)n[nH]c1F;XZWFROKCLYWSBM-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189210;MM189210;C=C1C(N)CC2CC12O;KYJOWEAVCCNJAF-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189211;MM189211;C=C1C(O)CC2CC12O;KOMXHCKFHRVUHD-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189212;MM189212;C=C1C(F)CC2CC12O;URCSFYQGPBMPBQ-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189213;MM189213;C=C1C(C)CC2CC12F;IAAIKWLJGFBLLJ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189214;MM189214;C=C1C(N)CC2CC12F;LZZHCHDBDOHIRU-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189215;MM189215;C=C1C(O)CC2CC12F;OLGHXHVIPYPWBV-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189216;MM189216;C=C1C(F)CC2CC12F;GUCLOUVAFSFMJE-UHFFFAOYSA-N;130.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189217;MM189217;C=C1C(C)NC2CC12N;GSHOWNUCBPMTLM-UHFFFAOYSA-N;124.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189218;MM189218;CN1CC2CC2(C)C1=N;LEZCXTSRGXJVGC-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189219;MM189219;CC12CC1CN(N)C2=N;SJTXPAMNCQCOJZ-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189220;MM189220;CC12CC1CN(O)C2=N;IMLBUTAJGGDFHX-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189221;MM189221;CN1CC2CC2(C)C1=O;LVTPGWWVBUOOQC-UHFFFAOYSA-N;125.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189222;MM189222;CN1CC2CC2(N)C1=N;MBXHCJDYMMUIDP-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189223;MM189223;CN1CC2CC2(O)C1=N;WURGONKKENPLES-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189224;MM189224;N=C1N(N)CC2CC12O;LFWYEJMPTDGHFO-UHFFFAOYSA-N;127.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189225;MM189225;C=C1C(N)CC2NC12C;LXEWABRRUXNDCO-UHFFFAOYSA-N;124.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189226;MM189226;C=C1C(F)CC2NC12C;AJBGXKPBPDOUGE-UHFFFAOYSA-N;127.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189227;MM189227;CN1CC2NC2(C)C1=N;JXLLGDMAHYYFPV-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189228;MM189228;CC12NC1CN(N)C2=N;BVWLNTQNJGMWEL-UHFFFAOYSA-N;126.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189229;MM189229;CN1CC2OC2(C)C1=N;OQIDFMLYHJUQTP-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189230;MM189230;C=C1C(=O)CC2CC12C;BWFWZNWMTPVSJQ-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189231;MM189231;C=C1CC2CC2(C)C1=O;HLJRIMLIDGEOKN-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189232;MM189232;CC12CC1CC(=O)C2=O;XBTQUTCPADHITF-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189233;MM189233;C=C1C(=O)CC2CC12O;MAHYQENQLMLEDW-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189234;MM189234;C=C1CC2CC2(O)C1=O;FUJWOVPLFMGKFG-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189235;MM189235;C=C1C(=O)CC2CC12F;FYIRRLUHTWFHIG-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189236;MM189236;C=C1C(=N)NC2CC12N;LZCSYUHKZBTIEW-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189237;MM189237;C=C1C(=O)NC2CC12N;JQUPCADQMXXUII-UHFFFAOYSA-N;124.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189238;MM189238;C=C1C(=N)NC2CC12O;LMRDJMYTDPMPCS-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189239;MM189239;C=C1OC2CC2(N)C1=C;HDXDJLQFXSUPSE-UHFFFAOYSA-N;123.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189240;MM189240;C=C1OC2CC2(O)C1=C;WFSQIGOYFKUXEZ-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189241;MM189241;C=NN=C1C=NNC1;VKZVIXVKXRHJDR-UHFFFAOYSA-N;110.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189242;MM189242;C=C1CC2NC2(C)C1=O;CHHRBRVSNCFKOW-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189243;MM189243;C=CC(C)(O)C=NOC;OLJFKXWVENLXAQ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189244;MM189244;C=C1CC2OC2(C)C1=C;ATSVREYNWSAYFY-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189245;MM189245;C=C1C(=O)CC2OC12C;FFCIFBFRLMFOED-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189246;MM189246;C=C1CC2OC2(C)C1=O;RVQOQZFZZLNBIQ-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189247;MM189247;CC1=NC2CC2(C)N1C;WVJCMYYZKVCMBT-UHFFFAOYSA-N;124.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189248;MM189248;C=C1C(F)=CC2CC12C;JWEOHQMGZDSGBC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189249;MM189249;C=C1C(C)=CC2CC12N;WSIVIZWXTDKCHI-UHFFFAOYSA-N;121.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189250;MM189250;C=C1C(F)=CC2CC12N;ZUEHMIVKGRXAPL-UHFFFAOYSA-N;125.15;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189251;MM189251;C=C(NC=O)C(C)=NN;XBFCFOCMYIVFBS-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189252;MM189252;C=C1C(F)=CC2CC12O;UNJFNOZVWVHTNM-UHFFFAOYSA-N;126.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189253;MM189253;CC1=CC2CC2(O)C1=O;PEPBLEVHGWAFHS-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189254;MM189254;C=C1C(C)=CC2CC12F;HNWZRQDWDBBIHH-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189255;MM189255;C=C1C(F)=CC2CC12F;YVNQVIPAJSDWLF-UHFFFAOYSA-N;128.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189256;MM189256;CC12CC(CC1N)C2N;AOHFSRKZIQRFII-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189257;MM189257;CC1OC2CC1(C)C2C;VGWJNYAIPCFPPB-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189258;MM189258;CC1OC2CC1(C)C2N;DPULGCVQSQQGEB-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189259;MM189259;CC1N2CC(N)C1(C)C2;IMSDLJBXPCAJIX-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189260;MM189260;C=C1CC2CC1(C)N2C;QCJKDLZXXUKFNY-UHFFFAOYSA-N;123.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189261;MM189261;CC1CC2CC1(C)C2=O;LQULNFIGCQQANF-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189262;MM189262;CC1NC2CC1(C)C2=O;MMTSZEMOEGWLJH-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189263;MM189263;CC1OC2CC1(C)C2=O;PHAJXSWNWJMFGY-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189264;MM189264;CC12CC(NC1=O)C2=O;SIJDITCJLGMIPA-UHFFFAOYSA-N;125.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189265;MM189265;CCC1CC2CC2(C)C1;VPVNGGKBSIONCZ-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189266;MM189266;CC12CC(CN)CC1C2;PNJQVBIJQJBBGV-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189267;MM189267;CC=CC(O)C(C)=NN;LTOOFWFOCSJCBZ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189268;MM189268;CC12CC(CF)CC1C2;IHBZCBJOTVTFTO-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189269;MM189269;CCC1CC2CC2(N)C1;YDROVTJXFMMXPI-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189270;MM189270;NCC1CC2CC2(N)C1;AMGRBERRDCNJNS-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189271;MM189271;NC12CC(CF)CC1C2;QWZKWALSWNCLPN-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189272;MM189272;CC(C#N)=C(N)NC=O;LKEDQUJOBLCSIC-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189273;MM189273;NCC1CC2CC2(O)C1;UGDIWIHFFCUIOL-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189274;MM189274;OC12CC(CF)CC1C2;LAFOCKJWDIFLFW-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189275;MM189275;CCC1CC2CC2(F)C1;FRWHNFCSZPVRQJ-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189276;MM189276;NCC1CC2CC2(F)C1;FYIVFOINFIGFGC-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189277;MM189277;OCC1CC2CC2(F)C1;TZTCXMQTVOTJIK-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189278;MM189278;FCC1CC2CC2(F)C1;ULFNYNIYVPLERW-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189279;MM189279;CNC1CC2CC2(C)C1;BECSZEPZSJKUIT-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189280;MM189280;CNC1CC2CC2(N)C1;XAHHFERKIZJKCS-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189281;MM189281;CNC1CC2CC2(O)C1;HBEBUHVPZKWVFY-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189282;MM189282;CNC1CC2CC2(F)C1;PGDFLRRWQJNAQT-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189283;MM189283;COC1CC2CC2(C)C1;HPCOXKRFICMJPG-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189284;MM189284;CCC1CC2(C)CC2N1;IJBLTHYKDMOZDQ-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189285;MM189285;CC12CC(CN)NC1C2;IONXLSBFFVOEAO-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189286;MM189286;CC12CC(CF)NC1C2;OWWSFNIUIQJAEX-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189287;MM189287;CCC1CC2(N)CC2N1;HGQQMKJHKZBCGM-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189288;MM189288;NCC1CC2(N)CC2N1;BADSTLBMAJXDLW-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189289;MM189289;CCC1CC2(O)CC2N1;FSEBWVDNLTZNCC-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189290;MM189290;NCC1CC2(O)CC2N1;SEVCRHHNEXVFNV-UHFFFAOYSA-N;128.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189291;MM189291;OCC1CC2(O)CC2N1;JCIIDXLJVOTXNB-UHFFFAOYSA-N;129.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189292;MM189292;CCC1CC2(F)CC2N1;FMROXWXEHHRHRJ-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189293;MM189293;NCC1CC2(F)CC2N1;DKMFCMMFJHJNJX-UHFFFAOYSA-N;130.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189294;MM189294;OCC1CC2(F)CC2N1;YRXITQZNIKRBFP-UHFFFAOYSA-N;131.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189295;MM189295;CCC1CC2(C)CC2O1;VPFCBYAQCYXWPG-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189296;MM189296;NCC1CC2(N)CC2O1;CNNHPDGIFMGJGE-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189297;MM189297;CCC1CC2(O)CC2O1;HKFKUPCEQFAOSV-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189298;MM189298;NCC1CC2(O)CC2O1;MMWGCQIHESNCFI-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189299;MM189299;OCC1CC2(O)CC2O1;VODGIXDSQARSKT-UHFFFAOYSA-N;130.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189300;MM189300;NCC1CC2(F)CC2O1;FEOZCWYSGDWOFG-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189301;MM189301;COC1CC2(C)CC2O1;URONTTZSFFONMC-UHFFFAOYSA-N;128.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189302;MM189302;COC1CC2(N)CC2O1;RNCNLXPIFKBWNU-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189303;MM189303;COC1CC2(O)CC2O1;FHMKARBDSFOBAR-UHFFFAOYSA-N;130.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189304;MM189304;CCC1CC2CC2(C)N1;MNAOCAMTNCLAMW-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189305;MM189305;CC12CC1CC(CN)N2;QPJRLBBMFAEIDU-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189306;MM189306;CC12CC1CC(CO)N2;ARCNGZVLKIXZKH-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189307;MM189307;CC12CC1CC(CF)N2;SPNSLKDWJQHPBU-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189308;MM189308;CCC1CC2CC2(C)O1;ZJZIIPZPNLWIRD-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189309;MM189309;CC12CC1CC(CN)O2;DUYFYCGOCJRUNE-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189310;MM189310;CC12CC1CC(CO)O2;AVNHCJHGODMPHT-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189311;MM189311;COC1CC2CC2(C)O1;NQCXHMIRPOCCLV-UHFFFAOYSA-N;128.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189312;MM189312;CCC1OC2CC2(C)O1;CJOFHQZBHDTQCP-UHFFFAOYSA-N;128.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189313;MM189313;CCN1CC2CC2(C)C1;DBKLKLCNUGYXST-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189314;MM189314;CCN1CC2CC2(N)C1;HVVGQRPBRPLIEK-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189315;MM189315;CCN1CC2CC2(O)C1;ASQRYGPSRBHCEX-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189316;MM189316;CC12CC(CN)CC1N2;BAXMLAMPUCUWQP-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189317;MM189317;CNC1CC2NC2(C)C1;DJHDNRVGMUEDKV-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189318;MM189318;CCC1CC2OC2(C)C1;QPVBWHNHHBHFPD-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189319;MM189319;CC12CC(CN)CC1O2;LIDBGBVUJWCIHW-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189320;MM189320;CC12CC(CO)CC1O2;BIEPUACYAIGIFW-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189321;MM189321;CC12CC(CF)CC1O2;AEQZAMDJJQVYHL-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189322;MM189322;CNC1CC2OC2(C)C1;KOVYQOJULASLAA-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189323;MM189323;CNC1CN2CC2(C)C1;WAQOVPMYQPWRJG-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189324;MM189324;COC1CN2CC2(C)C1;AVWXUVLJZNOUIN-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189325;MM189325;CC12CC(C=O)CC1C2;NJYVNFKCLWRQPW-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189326;MM189326;C=CC1CC2CC2(F)C1;FPXOVUKNBZGCCL-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189327;MM189327;N#CC1CC2CC2(F)C1;HZQHLQNJQSVVKN-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189328;MM189328;C=CC1CC2(C)CC2N1;ZQXRXOZPKBQBMS-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189329;MM189329;CC12CC(C=O)NC1C2;GPQXLTDIFYZYED-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189330;MM189330;CC12CC(C#N)NC1C2;LBHFTGGNRSMAIT-UHFFFAOYSA-N;122.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189331;MM189331;C=CC1CC2(N)CC2N1;GMLQYGZZIPITRC-UHFFFAOYSA-N;124.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189332;MM189332;C=CC1CC2(O)CC2N1;IHPCLLWXLSXNQK-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189333;MM189333;C=NOC(CO)=NNC;KKJSWXAWGAZWIF-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189334;MM189334;C=CC1CC2(F)CC2N1;QXVSQRJLTIXUTM-UHFFFAOYSA-N;127.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189335;MM189335;N#CC1CC2(F)CC2N1;WVMMFPPVOPXALL-UHFFFAOYSA-N;126.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189336;MM189336;C=CC1CC2(C)CC2O1;QEQBZIBFIGNDOI-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189337;MM189337;CC12CC(C=O)OC1C2;ORVAPJWEEMMYOV-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189338;MM189338;C=CC1CC2(N)CC2O1;YSQJUTYGQNRLJQ-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189339;MM189339;C=CC1CC2(O)CC2O1;UULFZFJJZRRBAG-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189340;MM189340;C=CC1CC2CC2(C)N1;PKZLAFHKNSJWIR-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189341;MM189341;CC12CC1CC(C=O)N2;VQUAHPQDPIIZRN-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189342;MM189342;C=CC1CC2CC2(C)O1;QHAGRQKSQJCWKT-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189343;MM189343;CC12CC1CC(C=O)O2;VCMMLDRTNIRPBU-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189344;MM189344;CC12CC1CC(C#N)O2;QHXYWIQUEZZSGZ-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189345;MM189345;C=CC1OC2CC2(C)O1;FLTISKLEZJIECB-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189346;MM189346;CC12CC1OC(C#N)O2;RRGYXCWYHCSXJQ-UHFFFAOYSA-N;125.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189347;MM189347;CC12CC1CN(C=N)C2;BFUSFHMBODEQEJ-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189348;MM189348;CC12CC1CN(C=O)C2;PFNNONDSNUHBBJ-UHFFFAOYSA-N;125.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189349;MM189349;N=CN1CC2CC2(N)C1;KOUPJGKKJVQPOC-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189350;MM189350;NC12CC1CN(C=O)C2;NCPUQSACFGZZRI-UHFFFAOYSA-N;126.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189351;MM189351;N=CN1CC2CC2(O)C1;BBZCPVGKEFEPCK-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189352;MM189352;O=CN1CC2CC2(O)C1;KADZOWCJWJNKBD-UHFFFAOYSA-N;127.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189353;MM189353;N=CN1CC2CC2(F)C1;QLAJDFQBEJKZGY-UHFFFAOYSA-N;128.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189354;MM189354;O=CN1CC2CC2(F)C1;KKWZVWXXWJJCOT-UHFFFAOYSA-N;129.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189355;MM189355;C=NN1CC2CC2(C)C1;UCPVWIBYYSAZJW-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189356;MM189356;C=NN1CC2CC2(N)C1;WPOXATGITSHOIN-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189357;MM189357;C=C1C(=O)OC(=N)N1O;HUSHEPJOBGRKBU-UHFFFAOYSA-N;128.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189358;MM189358;C=NN1CC2CC2(F)C1;YLYBMWLBPUFURF-UHFFFAOYSA-N;128.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189359;MM189359;CC12CC1NN(C=N)C2;PWDPECBLGYDUBO-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189360;MM189360;CC12CC1NN(C=O)C2;ZPELUVCXFWETFA-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189361;MM189361;N=CN1CC2(N)CC2N1;DZZOISLBOGKSPJ-UHFFFAOYSA-N;126.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189362;MM189362;N=CN1CC2(O)CC2N1;PDZAWCWVNLZDKR-UHFFFAOYSA-N;127.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189363;MM189363;Cc1c(F)oc(=N)n1O;PBNXRYDUSCMNHW-UHFFFAOYSA-N;132.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189364;MM189364;N=CN1CC2(F)CC2N1;VWFZPEDXFDDDOQ-UHFFFAOYSA-N;129.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189365;MM189365;O=CN1CC2(F)CC2N1;PSLLALAYUKGEJA-UHFFFAOYSA-N;130.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189366;MM189366;O=CN1CC2(O)CC2O1;UFGFIQMRHJWTSZ-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189367;MM189367;CC12CC1CN(C=N)N2;JGGKTMGOBJYXTP-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189368;MM189368;CC12CC1CN(C=O)N2;ANAXEZKSBYHLGU-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189369;MM189369;CC12CC1CN(C=O)O2;MMZZWIGXUIOFJE-UHFFFAOYSA-N;127.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189370;MM189370;CC12CN(C=N)CC1N2;OJBKPSJRPAHTIJ-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189371;MM189371;CC12CN(C=O)CC1N2;BJOHCHJOLQBFBX-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189372;MM189372;C=NN1CC2NC2(C)C1;NFLIHPGKRQPBJX-UHFFFAOYSA-N;125.18;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189373;MM189373;CC12CN(C=N)CC1O2;FOJDKPZHESORHA-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189374;MM189374;CC12CN(C=O)CC1O2;NHASCGJESOTITI-UHFFFAOYSA-N;127.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189375;MM189375;C=NN1CC2OC2(C)C1;AFFIRDLZSGUIDX-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189376;MM189376;C#CC1CC2CC2(C)C1;HCWUEFLIXZAAHS-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189377;MM189377;C#CC1CC2(C)CC2N1;PSGLHWZZBQTOKF-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189378;MM189378;C#CC1CC2(N)CC2N1;UAWSQDKCLQUDOF-UHFFFAOYSA-N;122.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189379;MM189379;C#CC1CC2(O)CC2N1;GMFOEITUUPIOED-UHFFFAOYSA-N;123.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189380;MM189380;C#CC1CC2(N)CC2O1;PCXKFDNSPLUIMV-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189381;MM189381;C#CC1CC2CC2(C)N1;XXKPJRZLDGIQQB-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189382;MM189382;C#CC1CC2CC2(C)O1;WKAJWGXLAVOBPN-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189383;MM189383;C#CC1OC2CC2(C)O1;KDFLVNAEBLIOBJ-UHFFFAOYSA-N;124.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189384;MM189384;CC=C1CC2CC2(C)C1;YLELXXIJQWOCBN-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189385;MM189385;CC12CC(=CF)CC1C2;OXPXAHNNUOPXCZ-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189386;MM189386;CC=C1CC2CC2(N)C1;FYVBPKOVWTYVPM-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189387;MM189387;NC12CC(=CF)CC1C2;GNRPDPGWMWATPB-UHFFFAOYSA-N;127.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189388;MM189388;N=C1N=C(NO)NC1=N;CHAFBDJMGKIGAA-UHFFFAOYSA-N;127.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189389;MM189389;OC12CC(=CF)CC1C2;ADUUFMDGVMZJGY-UHFFFAOYSA-N;128.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189390;MM189390;CC=C1CC2CC2(F)C1;SZFCISIOYCVVDK-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189391;MM189391;FC=C1CC2CC2(F)C1;SIEMJWOPOTVQJN-UHFFFAOYSA-N;130.14;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189392;MM189392;CC12CC(=NN)CC1C2;VRTKPILQOHJFHF-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189393;MM189393;CC12CC(=NO)CC1C2;CHCYPOFRMPTVBX-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189394;MM189394;NC12CC(=NO)CC1C2;LSJLIMMNJXTRRR-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189395;MM189395;Cc1nn(O)cnc1=N;AHOSKIDJRMUMMB-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189396;MM189396;ON=C1CC2CC2(O)C1;PIQPIYCXJPLXCB-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189397;MM189397;NN=C1CC2CC2(F)C1;PNZZVKIELWVYHB-UHFFFAOYSA-N;128.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189398;MM189398;ON=C1CC2CC2(F)C1;BTJFRJPVOPYXDK-UHFFFAOYSA-N;129.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189399;MM189399;CN=C1CC2(C)CC2N1;CQLUUXBENPNJDG-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189400;MM189400;CC12CC(NN)=NC1C2;IKKBRZUCIADSLU-UHFFFAOYSA-N;125.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189401;MM189401;CN=C1CC2(N)CC2N1;AGJKGCCCTTZFBO-UHFFFAOYSA-N;125.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189402;MM189402;CN=C1CC2(O)CC2N1;VBRPBYBWHYBGCB-UHFFFAOYSA-N;126.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189403;MM189403;ON=C1CC2(O)CC2N1;VVWIVZBWJMWANI-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189404;MM189404;CN=C1CC2(F)CC2N1;POTPEGLMFZTBFL-UHFFFAOYSA-N;128.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189405;MM189405;ON=C1CC2(F)CC2N1;KAZWTWKCFZURJF-UHFFFAOYSA-N;130.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189406;MM189406;CC=C1CC2(C)CC2O1;NXNWPGVGOZHSFQ-UHFFFAOYSA-N;124.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189407;MM189407;CC=C1CC2(N)CC2O1;SPWUBQKLBHDGTR-UHFFFAOYSA-N;125.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189408;MM189408;NC12CC(=CF)OC1C2;QGURYIXOGPVYRP-UHFFFAOYSA-N;129.13;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189409;MM189409;CC=C1CC2(O)CC2O1;TXRRWBXISVCLSY-UHFFFAOYSA-N;126.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189410;MM189410;OC12CC(=CF)OC1C2;FULUYWMVYKAZCQ-UHFFFAOYSA-N;130.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189411;MM189411;CC=C1CC2(F)CC2O1;WBFRVNFQBCEVNI-UHFFFAOYSA-N;128.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189412;MM189412;Nc1[nH]nc(NO)c1N;XBAOMWCIOCQEJJ-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189413;MM189413;CC12CC(=NO)OC1C2;BNERJUHKLLHCSX-UHFFFAOYSA-N;127.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189414;MM189414;NC12CC(=NO)OC1C2;PVDQNCORDBLXHP-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189415;MM189415;C=CC(O)C(CC)=NN;QSOLMEKTBOXFSL-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189416;MM189416;ON=C1CC2(O)CC2O1;GXMSWXODWDEBAQ-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189417;MM189417;CCC(O)C#CC1CN1;VTPVZSZPLHYDGB-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189418;MM189418;CN=C1CC2CC2(C)N1;WHXABJAPRNFMLA-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189419;MM189419;CC12CC1CC(=NN)N2;KRZVIBWCXHKMNS-UHFFFAOYSA-N;125.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189420;MM189420;C#CC=CC(C)(O)C=NN;CJIOGRKPAFDTGP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189421;MM189421;CN=C1NC2CC2(C)N1;JTUHTMMNETVVQC-UHFFFAOYSA-N;125.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189422;MM189422;CC12CC1NC(=NN)N2;DVMFZZBNFHKJEI-UHFFFAOYSA-N;126.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189423;MM189423;C=CC(C)(O)C=NOCC;UWLCSAAGEFZUMD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189424;MM189424;CC12CC1OC(=NO)N2;OMXGAQLQRDNIBB-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189425;MM189425;CC=C1CC2CC2(C)O1;HLYAORKAONMHON-UHFFFAOYSA-N;124.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189426;MM189426;CC12CC1CC(=CF)O2;CGSKZDDSNAIHCG-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189427;MM189427;COC(=O)CC(=O)N(C)N;DWIAJTWARUVUDC-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189428;MM189428;CC12CC1CC(=NO)O2;CEHCRRLCDQZPGX-UHFFFAOYSA-N;127.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189429;MM189429;CCNC(=O)N=CN(C)N;GIFSZWAGKSGGHB-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189430;MM189430;CC12CC1NC(=NO)O2;WLRNOGNBMUIHEA-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189431;MM189431;NN=CN(O)CC(O)CF;NRUONFOWFXFINH-UHFFFAOYSA-N;151.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189432;MM189432;CC=C1CC2OC2(C)C1;HZXBICTVEFSLQB-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189433;MM189433;CC12CC(=CF)CC1O2;KSPGFCIQXQYJNS-UHFFFAOYSA-N;128.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189434;MM189434;CC12CC(=NN)CC1O2;KDZGBCHUWKVTDK-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189435;MM189435;CC12CC(=NO)CC1O2;ASELVCSXGPYVIS-UHFFFAOYSA-N;127.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189436;MM189436;CN=C1CC2(C)CN2N1;ZXSZVKDOMILMPF-UHFFFAOYSA-N;125.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189437;MM189437;C=NOC(CO)=NN(C)C;CZGPPGGBURHLSC-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189438;MM189438;CCC1=CC2CC2(C)C1;ZJFSCYCDIOHXTJ-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189439;MM189439;CC12CC(CN)=CC1C2;AOTDMCCFMJEUJG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189440;MM189440;CC12CC(CO)=CC1C2;PVAIZCCIWNTXSH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189441;MM189441;CC12CC(CF)=CC1C2;OKWQQRDAXTZGQA-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189442;MM189442;CCC1=CC2CC2(N)C1;GDOOOKUKGCJYFJ-UHFFFAOYSA-N;123.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189443;MM189443;NCC1=CC2CC2(N)C1;HNNFCPDMSRAUST-UHFFFAOYSA-N;124.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189444;MM189444;NC12CC(CO)=CC1C2;DMSUGFBKEUEDLC-UHFFFAOYSA-N;125.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189445;MM189445;NC12CC(CF)=CC1C2;XZIXNFISEHOXFY-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189446;MM189446;NN=COC=CNC(N)=O;WERCCHJPXBHQTD-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189447;MM189447;NCC1=CC2CC2(O)C1;YEFLQYVJAWYLTN-UHFFFAOYSA-N;125.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189448;MM189448;OCC1=CC2CC2(O)C1;QZRFQQOOQWITTM-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189449;MM189449;OC12CC(CF)=CC1C2;VESUAULZKFZBIU-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189450;MM189450;CCC1=CC2CC2(F)C1;UBPLRGBEZQFHRY-UHFFFAOYSA-N;126.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189451;MM189451;NCC1=CC2CC2(F)C1;UTPWHEPHZCFGFX-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189452;MM189452;OCC1=CC2CC2(F)C1;NQJQRHGJAZEBOK-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189453;MM189453;FCC1=CC2CC2(F)C1;ZRIKPXQQHRBXOR-UHFFFAOYSA-N;130.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189454;MM189454;COC1=CC2CC2(C)C1;OEZQAYGBCYBNNS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189455;MM189455;COC1=CC2CC2(N)C1;OXBFVMYWJPINAJ-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189456;MM189456;COC1=CC2CC2(O)C1;GKGGYVGZYRDFLR-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189457;MM189457;COC1=CC2CC2(F)C1;AGZPAJRHXLPDAC-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189458;MM189458;CCC1=NC2(C)CC2N1;XOQPUYXSQQHNJG-UHFFFAOYSA-N;124.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189459;MM189459;CC12CC1N=C(CN)N2;ALFBURAZYUWMCR-UHFFFAOYSA-N;125.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189460;MM189460;CC12CC1N=C(CF)N2;ZJUWARQVCAQTFR-UHFFFAOYSA-N;128.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189461;MM189461;CNC1=NC2CC2(C)N1;JTUHTMMNETVVQC-UHFFFAOYSA-N;125.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189462;MM189462;CC12CC1N=C(NN)N2;DVMFZZBNFHKJEI-UHFFFAOYSA-N;126.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189463;MM189463;CC12CC1N=C(NO)N2;ZAFRFNRMJSXHIL-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189464;MM189464;COC1=NC2CC2(C)N1;QXXSZDYQFAOHSC-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189465;MM189465;CCC1=CC2CC2(C)O1;WXPOQGFSRLEUBT-UHFFFAOYSA-N;124.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189466;MM189466;CC12CC1C=C(CN)O2;FKWRDRFAOZJUHY-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189467;MM189467;CC12CC1C=C(CO)O2;YJQFRTGOAIXCLK-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189468;MM189468;CC12CC1C=C(CF)O2;MVWKXQIHOXOWLB-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189469;MM189469;NN=CC#CC#CC(N)=O;MOCUIFGQBANUKI-UHFFFAOYSA-N;135.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189470;MM189470;COCC(O)COC=NN;UWRKETFWOKLJGJ-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189471;MM189471;CC12CC(CN)=CC1N2;YJWMXWZYOHEFMW-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189472;MM189472;C=CNC(=O)C(=N)N(C)O;SPZYEUPDIXMDIK-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189473;MM189473;COC1=CC2NC2(C)C1;KWSSNRUAFYJZCU-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189474;MM189474;CCC1=CC2OC2(C)C1;LFFURVNYAHHPIK-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189475;MM189475;CC12CC(CN)=CC1O2;CSACIYMFTXUIEU-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189476;MM189476;CC12CC(CO)=CC1O2;CDMUEIDIGJCVPL-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189477;MM189477;CC12CC(CF)=CC1O2;HOJOXCICCLEPKE-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189478;MM189478;COC1=CC2OC2(C)C1;NZCQCNZRGADPBF-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189479;MM189479;CCC1=NN2CC2(C)C1;XUAOQKRXJLCAKF-UHFFFAOYSA-N;124.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189480;MM189480;C=NOC(CO)(CO)CO;RYLBJBWHSYNZRB-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189481;MM189481;CC12CC(CF)=NN1C2;AZTGYUMCKFCJLF-UHFFFAOYSA-N;128.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189482;MM189482;COC1=NN2CC2(C)C1;ANWMZBCPPQWMMU-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189483;MM189483;C=CC1=CC2CC2(C)C1;NTABQDZFQNMSHL-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189484;MM189484;CC12CC(C=O)=CC1C2;ABXOZIPPVXCPAR-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189485;MM189485;CC12CC(C#N)=CC1C2;HQUXWRQYTIOSLF-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189486;MM189486;C=CC1=CC2CC2(N)C1;UBLWJPVORINFBI-UHFFFAOYSA-N;121.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189487;MM189487;C#CC(O)CC(C#N)NC;MKBISVNIMLBYMB-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189488;MM189488;O=CC1=CC2CC2(O)C1;MTURAHAONPTODC-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189489;MM189489;N#CC1=CC2CC2(O)C1;YOYWOQPMBLUVLX-UHFFFAOYSA-N;121.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189490;MM189490;C=CC1=CC2CC2(F)C1;AVWZCPUJPSSBIG-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189491;MM189491;O=CC1=CC2CC2(F)C1;FSLPLOXHTUGSGS-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189492;MM189492;N#CC1=CC2CC2(F)C1;USDAMLWBOLRVFD-UHFFFAOYSA-N;123.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189493;MM189493;C=CC1=NC2CC2(C)N1;SGVXPRROMJPDSX-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189494;MM189494;C#CC(O)CC1(C#C)CN1;ZYQCQPZSEUENTI-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189495;MM189495;C=CC(=C)N(O)C(=N)C#N;DEKPZNXWJUZBAY-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189496;MM189496;C=CC1=CC2CC2(C)O1;DZXQFDHFARXSLW-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189497;MM189497;CC12CC1C=C(C=O)O2;NHDLPJDUFRTBMJ-UHFFFAOYSA-N;124.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189498;MM189498;CC12CC1C=C(C#N)O2;IXVQAMSJVSAMFH-UHFFFAOYSA-N;121.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189499;MM189499;CC12CC(C=O)=CC1N2;WOALJYWOHNTPIQ-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189500;MM189500;CC12CC(C#N)=CC1N2;WRODDJOEHAECJQ-UHFFFAOYSA-N;120.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189501;MM189501;C=CC1=CC2OC2(C)C1;CMMGKNBUZIDBGE-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189502;MM189502;CC12CC(C=O)=CC1O2;UQOTZCVYNCJAIL-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189503;MM189503;CC12CC(C#N)=CC1O2;WXVBBBIPULEWQQ-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189504;MM189504;CC12CC(C=O)=CN1C2;ZQKHKPYTCNPVOS-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189505;MM189505;CC12CC(C#N)=CN1C2;AMQZPFCEKQJTCV-UHFFFAOYSA-N;120.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189506;MM189506;C=CC1=NN2CC2(C)C1;FPKCPMKCKYESBJ-UHFFFAOYSA-N;122.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189507;MM189507;CC12CC(C=O)=NN1C2;VNFIIIMPEVHHHE-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189508;MM189508;CC12CC(C#N)=NN1C2;NVWPXNPUODNHLJ-UHFFFAOYSA-N;121.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189509;MM189509;C#CC1=CC2CC2(C)C1;IGQQQCUWBCCTOX-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189510;MM189510;C#CC1=CC2CC2(N)C1;IBSOZNKBVGIFMY-UHFFFAOYSA-N;119.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189511;MM189511;CON=CN(O)C(=N)OC;MQRHVAZQTXMNIX-UHFFFAOYSA-N;147.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189512;MM189512;C#CC1=CC2CC2(F)C1;WCDSSAWGYHXAPC-UHFFFAOYSA-N;122.14;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189513;MM189513;C#CC1=CC2CC2(C)O1;CUAGZHXUYZNTQT-UHFFFAOYSA-N;120.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189514;MM189514;C#CC1=CC2NC2(C)C1;SATRYCBVUZMUTP-UHFFFAOYSA-N;119.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189515;MM189515;C#CC1=CC2OC2(C)C1;IZRGHOPISQRUED-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189516;MM189516;C#CC1=NN2CC2(C)C1;OKBVACBVYIJPEP-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189517;MM189517;CC1CC(O)C2CC12N;WIASYIYRPKUODH-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189518;MM189518;NC1CC(N)C2(N)CC12;UDAWVPZGYVHWAA-UHFFFAOYSA-N;127.19;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189519;MM189519;NC1CC(O)C2(N)CC12;AOFMCAILORPSRY-UHFFFAOYSA-N;128.18;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189520;MM189520;CC1NC(C)C2(N)CC12;KQOBYKAMHCAAII-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189521;MM189521;CN1CC(N)C2(C)CC12;IUIFCQPKADKZLE-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189522;MM189522;CN1CC(O)C2(C)CC12;MWTBLRRVQZQEJP-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189523;MM189523;CN1CC(N)C2(O)CC12;CSONSLWDTIRVIL-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189524;MM189524;CC1CN(C)C2(C)CC12;SDHDMUZMHTZSSO-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189525;MM189525;CN1CC(N)C2CC21C;PQRUCYRUDJQBTI-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189526;MM189526;CN1NC(=O)C2CC21C;WFIXKZJEPDRAGZ-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189527;MM189527;C=C1CC(N)C2CC12O;GAXLHTVCQWOBCF-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189528;MM189528;CN1NC(=N)C2(C)CC12;GGRMHIBEMRHHLM-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189529;MM189529;CN1NC(=O)C2(C)CC12;MNLZJMBWKOLAPO-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189530;MM189530;CN1NC(=N)C2(N)CC12;YSPSYOVQRLWITH-UHFFFAOYSA-N;126.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189531;MM189531;CN1NC(=O)C2(O)CC12;BRVDKGDJWCPWJU-UHFFFAOYSA-N;128.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189532;MM189532;CN1NC(=N)C2(F)CC12;GHFUCYPSBRORSQ-UHFFFAOYSA-N;129.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189533;MM189533;CON=C(OC)N(O)C=N;VLGDRJDWHOXLJC-UHFFFAOYSA-N;147.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189534;MM189534;CC1OC(=O)C2(C)NC12;OSUKXQBCPGPBLH-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189535;MM189535;C=C1CC(=C)C2(C)CC12;LAZIDXKKLWUJQE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189536;MM189536;C=C1CC(=O)C2CC12C;GUZNDGSABSTLDZ-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189537;MM189537;C=C1CC(=O)C2(C)CC12;TUDHLBGJEZONES-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189538;MM189538;C=C1CC(=C)C2(N)CC12;ZTDZIRVAQIIFFW-UHFFFAOYSA-N;121.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189539;MM189539;C=CC(C=NOC)NC=O;IQNQRAVZDIAYJO-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189540;MM189540;C=C1CC(=O)C2CC12O;ZDLDKKZVIXASHD-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189541;MM189541;C=C1CC(=O)C2(O)CC12;UPVRBKVVBGNLJT-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189542;MM189542;C=C1CC(=C)C2(F)CC12;IMXJPNLVOANYEV-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189543;MM189543;C=C1CC(=O)C2CC12F;XBYWFDPXZLRCEF-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189544;MM189544;C=C1CC(=O)C2(F)CC12;AWSVHGMYZAUDIA-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189545;MM189545;C=C1NC(=N)C2CC12C;KDZJOSVVQQLPTA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189546;MM189546;C=C1NC(=O)C2CC12C;LYRLHLYZMKUHPP-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189547;MM189547;C=C1NC(=N)C2(C)CC12;OTOSGLNWQGJEPU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189548;MM189548;CC12CC1C(=N)NC2=N;GFQCAYDAYDSDML-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189549;MM189549;CNN=C(CO)OCC=O;CTDUSFWNROLTNR-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189550;MM189550;C=C1NC(=O)C2(C)CC12;SDUDEYAUBBGUPS-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189551;MM189551;CCC(O)C(=NN)N(C)O;OSPGQOHGQHQLEZ-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189552;MM189552;CC12CC1C(=O)NC2=O;COOSDAIGFVXLLU-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189553;MM189553;C=C1NC(=N)C2CC12N;YLKFLULMCKIJDT-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189554;MM189554;C=C1NC(=N)C2(N)CC12;CEQLISNQDWXPHA-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189555;MM189555;N=C1NC(=N)C2(N)CC12;FRRVAYTWJPMDIY-UHFFFAOYSA-N;124.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189556;MM189556;C=C1NC(=N)C2CC12O;UZHGJRXHBMTXAI-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189557;MM189557;C=C1NC(=O)C2CC12O;HRDCYYVHLKQEHF-UHFFFAOYSA-N;125.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189558;MM189558;C=C1NC(=N)C2(O)CC12;NMARKQKXUNPPSN-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189559;MM189559;N=C1NC(=N)C2(O)CC12;ATSJPWSUPYESED-UHFFFAOYSA-N;125.13;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189560;MM189560;N=C1NC(=O)C2CC12O;WNGCCUUVFOGECU-UHFFFAOYSA-N;126.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189561;MM189561;C=C1NC(=O)C2(O)CC12;XJCDQYDKGLTSQS-UHFFFAOYSA-N;125.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189562;MM189562;N=C1NC(=O)C2(O)CC12;SBARPFIXUYMOIK-UHFFFAOYSA-N;126.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189563;MM189563;O=C1NC(=O)C2(O)CC12;QBQMBLKZYZVLKY-UHFFFAOYSA-N;127.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189564;MM189564;C=C1NC(=N)C2CC12F;NUAZEIQLFIIZCB-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189565;MM189565;C=C1NC(=O)C2CC12F;IMEITDBABLITBI-UHFFFAOYSA-N;127.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189566;MM189566;N=C1NC(=O)C2CC12F;CMADLKBAVFWNIO-UHFFFAOYSA-N;128.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189567;MM189567;C=C1NC(=O)C2(F)CC12;VOUCSIJRJWEXDM-UHFFFAOYSA-N;127.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189568;MM189568;N=C1NC(=O)C2(F)CC12;ULGBELNARKOCEE-UHFFFAOYSA-N;128.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189569;MM189569;C=C1OC(=C)C2(C)CC12;HUMGXYBTAIKFQG-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189570;MM189570;C=C1OC(=O)C2CC12C;PKXOHHRUNHHHOF-UHFFFAOYSA-N;124.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189571;MM189571;C=C1OC(=O)C2(C)CC12;WDAXFUXNWLASGE-UHFFFAOYSA-N;124.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189572;MM189572;CC12CC1C(=O)OC2=O;JIKCCJNIXCEKAW-UHFFFAOYSA-N;126.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189573;MM189573;C=C1OC(=C)C2(N)CC12;SREYCFFLPUHFDG-UHFFFAOYSA-N;123.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189574;MM189574;NC12CC1C(=O)OC2=O;GAVGHGRWCNPBET-UHFFFAOYSA-N;127.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189575;MM189575;C=C1OC(=C)C2(O)CC12;JGCNDEZIPKTUJQ-UHFFFAOYSA-N;124.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189576;MM189576;C=C1OC(=O)C2CC12O;SDRDSAWFBPZEAU-UHFFFAOYSA-N;126.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189577;MM189577;C=C1OC(=O)C2(O)CC12;DEEUNWKZPQTOJR-UHFFFAOYSA-N;126.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189578;MM189578;C=C1OC(=C)C2(F)CC12;XRWCDZCAAMAJHK-UHFFFAOYSA-N;126.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189579;MM189579;C=C1OC(=O)C2CC12F;WXOCHVDBDWUDFZ-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189580;MM189580;CC1=CC(C)C2(N)CC12;GQWRNAZRWYJEPB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189581;MM189581;CC1=CC(O)C2(N)CC12;BRDAIYJFMPZGNZ-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189582;MM189582;CC1=NN(C)C2(C)CC12;SQWBNAGRMPVVFO-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189583;MM189583;C=C1C=C(C)C2CC12C;NSDRICWKAMWIJI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189584;MM189584;C=C1C=C(F)C2CC12C;IYLXLWSAYHSXAA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189585;MM189585;CC1=CC(=O)C2(C)CC12;GSPNVRSCHAZDEB-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189586;MM189586;CC12CC1C(N)=CC2=O;OJGPKKLVLYWEHK-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189587;MM189587;CC12CC1C(F)=CC2=O;QLETZJGOWQMTOL-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189588;MM189588;C=C1C=C(C)C2CC12N;DYQVDMQNXXMNSK-UHFFFAOYSA-N;121.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189589;MM189589;C=C1C=C(F)C2CC12N;VISDRYOTJMORAZ-UHFFFAOYSA-N;125.15;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189590;MM189590;COc1cc(=O)n(N)n1O;IXHAKVZAAUGDBC-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189591;MM189591;C=C1C=C(F)C2CC12O;QIFKRTLYDKHQMH-UHFFFAOYSA-N;126.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189592;MM189592;CC1=CC(=O)C2(O)CC12;NPXCQDDIEOQZLJ-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189593;MM189593;NC1=CC(=O)C2(O)CC12;HKWYNTLDJBXPRN-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189594;MM189594;O=C1C=C(F)C2CC12O;TVGJJDXHHCCYSU-UHFFFAOYSA-N;128.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189595;MM189595;C=C1C=C(C)C2CC12F;ZBTPOUFFRCJWGA-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189596;MM189596;C=C1C=C(F)C2CC12F;IYDMWDGFKLHOCO-UHFFFAOYSA-N;128.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189597;MM189597;CC1=CC(=O)C2(F)CC12;ZKYLZJYKEQONMP-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189598;MM189598;NC1=CC(=O)C2(F)CC12;MKMSGRDKCVNUMF-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189599;MM189599;O=C1C=C(F)C2CC12F;KTHNWZRCZDBRMT-UHFFFAOYSA-N;130.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189600;MM189600;CC1CCC2(C)C(C)C12;HZOJUIWGWIQBNP-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189601;MM189601;Cc1c(N)oc(=NN)n1O;CNLJGDGDOKSPHG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189602;MM189602;CC1C2C(F)CCC12C;KYUYVTUAOVVRSZ-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189603;MM189603;CC1CCC2(C)C(N)C12;PAVFJMNAXRHUNT-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189604;MM189604;CC12CCC(N)C1C2N;DRZCXVCJUHKNTG-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189605;MM189605;CC12CCC(O)C1C2N;HBQLVUYJLVQUHV-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189606;MM189606;CC12CCC(O)C1C2O;MKQZEZKUEJVODO-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189607;MM189607;CC12CCC(F)C1C2F;QIJKRNQPBOSPAJ-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189608;MM189608;CC1CCC2(N)C(C)C12;VTJCIWVFDQPDFY-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189609;MM189609;CC1C2C(N)CCC12N;LSUIGQMFCVNMFH-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189610;MM189610;CC1C2C(O)CCC12O;NVTWAQDVJQWIOC-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189611;MM189611;CC1C2C(F)CCC12O;VFFITGNQWJXPEG-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189612;MM189612;CC1CCC2(O)C(O)C12;YXDIOGMAACHYLQ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189613;MM189613;CC1CCC2(F)C(C)C12;RBHXVTNQABUTNB-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189614;MM189614;CC1C2C(O)CCC12F;QQMHBQFTADGEEP-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189615;MM189615;CC1C2C(F)CCC12F;GZENBCOBPAJWGL-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189616;MM189616;CC1CCC2(F)C(N)C12;RITNGMBLKXBTSY-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189617;MM189617;NC1C2C(F)CCC12F;KWQNBYNBFBKLNX-UHFFFAOYSA-N;133.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189618;MM189618;CC1CCC2(F)C(O)C12;PSFWAFDGKOYCSP-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189619;MM189619;NC1CCC2(F)C(O)C12;IALVVBIWCVPPNU-UHFFFAOYSA-N;131.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189620;MM189620;CC1NCC2(C)C(C)C12;NCWNZEZDOCTDFP-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189621;MM189621;CC1NCC2(C)C(N)C12;RNFRVDXFNMCKKF-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189622;MM189622;CC1NCC2(N)C(C)C12;FQQAYGRTOIRNNH-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189623;MM189623;CC1NCC2(O)C(C)C12;VVNQNAWAWFOSBU-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189624;MM189624;CC1NCC2(F)C(N)C12;CNEMAQXMDGQUSB-UHFFFAOYSA-N;130.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189625;MM189625;CC1OCC2(N)C(C)C12;ADZZKCSIHHUIBE-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189626;MM189626;CC1OCC2(F)C(N)C12;NZHPXPZPCHYIQG-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189627;MM189627;CN1CCC2(C)C(N)C12;LIFNWEGKHIXMLH-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189628;MM189628;CN1CCC2(N)C(N)C12;HNGKUCZFBOCNGV-UHFFFAOYSA-N;127.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189629;MM189629;CC1C2N(C)CCC12O;NXABYQXUBNIFPY-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189630;MM189630;C=C1CCC2(C)C(C)C12;SCNVUHHFADQOJN-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189631;MM189631;NC1C2C(=O)NCC12N;HVTIUDDEYHJYPB-UHFFFAOYSA-N;127.15;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189632;MM189632;CC12COC(=O)C1C2N;UBYKGPTWFGMQMC-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189633;MM189633;C=C1OCC2(N)C(O)C12;COCWPOUJEXFIGN-UHFFFAOYSA-N;127.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189634;MM189634;CC1N2C(=N)CCC12C;CFANFDCKQGOFIH-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189635;MM189635;CC1N2C(=O)CCC12C;JQXTTYGXXSPRKR-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189636;MM189636;C=C1C=CC2(O)C(F)C12;HSLFSADLENSZLZ-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189637;MM189637;CN1C2C(=O)C=CC21C;JMNFMHVNJIKGJZ-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189638;MM189638;CC12N=C(C=O)NC1C2O;KPYRGZJPYSAKKR-UHFFFAOYSA-N;140.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189639;MM189639;CC12C=CC(F)CC1C2;AQVQLPZRIYRNRZ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189640;MM189640;CC1C=CC2(N)CC2C1;LMGWNDOQUHHWMC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189641;MM189641;NC12C=CC(O)CC1C2;XTKOXZDOAQCKQQ-UHFFFAOYSA-N;125.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189642;MM189642;NC12C=CC(F)CC1C2;LUKNXKAKFIGMTL-UHFFFAOYSA-N;127.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189643;MM189643;OC12C=CC(F)CC1C2;YTBSJROLLLKDFU-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189644;MM189644;FC1C=CC2(F)CC2C1;AXBZNUZVMIITJH-UHFFFAOYSA-N;130.14;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189645;MM189645;CN1CC2CC2(C)C=N1;FAEMEFUIJUBJFK-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189646;MM189646;CCc1nn(O)cnc1=N;NTXJWYUTYTXYIN-UHFFFAOYSA-N;140.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189647;MM189647;C=C1C=CC2(C)CC2C1;WYEIQIFVEDQQTQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189648;MM189648;N=c1ncn(O)nc1CF;RNHQXSRIQPJVCU-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189649;MM189649;O=C1C=CC2(O)CC2C1;XNNUYKIXZSIYFG-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189650;MM189650;C=C1C=CC2(F)CC2C1;CVZLWZJOJSVUFN-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189651;MM189651;O=C1C=CC2(F)CC2C1;YFDQLZBQFVYKNS-UHFFFAOYSA-N;126.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189652;MM189652;CC1C2(C)COCC12N;VFTAADGDCYLWRQ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189653;MM189653;CN1C2(C)CCCC12C;DTDMCRSOTOTDBB-UHFFFAOYSA-N;125.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189654;MM189654;CN1C2(C)CNCC12C;KJQDDECVZMYDQO-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189655;MM189655;CCC(C)C1CC(C)C1;FIVVEKLTUQMJOM-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189656;MM189656;CCC(C)C1CC(N)C1;PYXAQFLGJIMLGO-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189657;MM189657;CCC(C)C1CC(C)N1;GMAFNVOXOJRQNL-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189658;MM189658;CCC(C)C1CC(C)O1;JSUWVXZYFVBMEJ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189659;MM189659;CC1CC(C(O)CN)O1;TVJDYARASYGNTA-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189660;MM189660;CCN(C)C1CC(C)C1;HFSQSPOFICQGML-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189661;MM189661;CCN(C)C1CC(N)C1;MDTOIYVIBFNJHV-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189662;MM189662;CCN(C)C1CC(O)C1;IYRMEJZPLSEPBC-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189663;MM189663;CCN(C)C1CC(F)C1;JHESXQPGJUCJBL-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189664;MM189664;C=CC(O)C1CC(N)C1;RQXQYMVZCMHULI-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189665;MM189665;C=CC(C)C1CC(F)C1;WKJUNVADGQCWTB-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189666;MM189666;CC1CC(N(N)C=N)C1;CNEGPULPBVLEQO-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189667;MM189667;CN(C=N)C1CC(N)C1;SMUAGNOCVZRGMC-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189668;MM189668;CN(C=N)C1CC(O)C1;IZXTUYROFATALL-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189669;MM189669;CN(C=O)C1CC(O)C1;MFBXGWPTGOBCIB-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189670;MM189670;N=CN(N)C1CC(O)C1;DFSKQNZEUNSXSS-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189671;MM189671;C=NN1C(C)C1C(O)CO;GPLFPLDBLCVHKP-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189672;MM189672;CN(C=N)C1CC(F)C1;XSBZUPXMIVSDGB-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189673;MM189673;CN(C=O)C1CC(F)C1;LSWYJCBABHIVHU-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189674;MM189674;N=CN(N)C1CC(F)C1;HSPXPKXEBGTKMK-UHFFFAOYSA-N;131.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189675;MM189675;NN(C=O)C1CC(F)C1;XAJHXNKMLLSZAB-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189676;MM189676;C=NN(C)C1CC(N)C1;HSYWKOJDOTVORJ-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189677;MM189677;FCc1cn[nH]c1;QYHXVUUNXIXBDD-UHFFFAOYSA-N;100.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189678;MM189678;C=NN(C)C1CC(F)C1;VTQVZPBOXHFNTB-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189679;MM189679;CN1CC(N(N)C=N)C1;NHZQGRGMUFBQFL-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189680;MM189680;CN(C=O)N1CC(N)C1;XBGREJKRNLAUQZ-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189681;MM189681;C=C(CC)C1CC(C)C1;FYTMGCUUSSOWSJ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189682;MM189682;C=C(CN)C1CC(C)C1;QQWAJCFNGDVFAV-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189683;MM189683;CN1N=C(N)CC1=O;XGKOIOPVLYCTRF-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189684;MM189684;C=C(CF)C1CC(C)C1;UYUUJSVELVQOOM-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189685;MM189685;CC1CC(C(=O)CO)C1;IUTBGZNIUXUCJV-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189686;MM189686;CC1CC(C(=O)CF)C1;ICWZXYWBPBQRTK-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189687;MM189687;C=C(CC)C1CC(N)C1;NGABPBGNMMLTQM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189688;MM189688;C=C(CO)C1CC(N)C1;ODHYDKVLCOCBFU-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189689;MM189689;C=C(CF)C1CC(N)C1;IFUGTKAEWJOGGQ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189690;MM189690;CC(O)C(=O)C1CN1;PSGLVSLJHSRFIW-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189691;MM189691;C=C(CN)C1CC(O)C1;NWYCHFGSFDNVQW-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189692;MM189692;CON=C(C)CC(N)=O;CIRXURXCNINMAN-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189693;MM189693;CCC(=O)C1CC(O)C1;KBVOYWVUPIMMGL-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189694;MM189694;C=C(CC)C1CC(F)C1;USVKPYWWDPGZQS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189695;MM189695;C#CC(O)CCON=C;DZXUZKAIEJNMDG-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189696;MM189696;CCC(=O)C1CC(F)C1;HADVDQOUWOGOBU-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189697;MM189697;O=C(CO)C1CC(F)C1;SDBNOUBASWKONO-UHFFFAOYSA-N;132.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189698;MM189698;CNC(=N)C1CC(C)C1;PLBZOHGPIFYFJH-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189699;MM189699;CC1CC(C(=N)NN)C1;XPSWZGBIHRGDHC-UHFFFAOYSA-N;127.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189700;MM189700;CC1CC(C(=N)NO)C1;LGLYBXZLROKZED-UHFFFAOYSA-N;128.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189701;MM189701;CC1CC(C(=O)NO)C1;YDSLXMSBJVHUSX-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189702;MM189702;CNC(=N)C1CC(N)C1;NVOVFOUXMQANTQ-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189703;MM189703;N=C(NO)C1CC(N)C1;GLWFTQCEYMVPDS-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189704;MM189704;NC1CC(C(=O)NO)C1;ZTPZAGRGKFBJJT-UHFFFAOYSA-N;130.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189705;MM189705;CNC(=N)C1CC(O)C1;KRBRVVROAFNSCJ-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189706;MM189706;N=C(NO)C1CC(O)C1;MCIXRLPWBPKHTK-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189707;MM189707;Cc1c[nH]c(N=O)c1C;MDWTYFQMSGZJDS-UHFFFAOYSA-N;124.14;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189708;MM189708;CNC(=N)C1CC(F)C1;UXGABVZGIZHHMF-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189709;MM189709;N=C(NO)C1CC(F)C1;XEUXIKVHBXGOBO-UHFFFAOYSA-N;132.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189710;MM189710;N=Cn1ncc(CO)n1;AOBOMMMTOXYLEO-UHFFFAOYSA-N;126.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189711;MM189711;O=C(NO)C1CC(F)C1;SUVCNPSHZMNCMX-UHFFFAOYSA-N;133.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189712;MM189712;C=C(OC)C1CC(C)C1;KCZXXQXQFXFKBV-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189713;MM189713;COC(=O)C1CC(C)C1;WZVDQPYGHWVMGO-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189714;MM189714;C=C(OC)C1CC(N)C1;VBKFNVUWVSKCCR-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189715;MM189715;C=C(CN)C1CC(C)N1;PIZQLNRAZKAKDJ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189716;MM189716;CCC(=O)C1CC(C)N1;GPQNHVUOFRWAOE-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189717;MM189717;C=C(CN)C1CN(C)C1;KPRFBCTUFPDTSH-UHFFFAOYSA-N;126.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189718;MM189718;CNC(=N)C1CN(C)C1;FWPPEDRLTWGCIQ-UHFFFAOYSA-N;127.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189719;MM189719;CN1CC(C(=N)NN)C1;ATERPFALVCEJPN-UHFFFAOYSA-N;128.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189720;MM189720;CN1CC(C(=N)NO)C1;LLPGKADNTZEGNF-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189721;MM189721;CC1CN(C(=N)NO)C1;XXSONBZURMZQFZ-UHFFFAOYSA-N;129.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189722;MM189722;C=CC(=C)C1CC(C)C1;PQZIEEGHVBANNF-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189723;MM189723;C=C(C=O)C1CC(C)C1;PYEMYCZOIKVJHP-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189724;MM189724;C=C(C#N)C1CC(C)C1;GMKDOWWTBPILMY-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189725;MM189725;C=CC(=C)C1CC(N)C1;HKCAQELEEHEIQX-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189726;MM189726;C=NN1CC1C(O)CO;KHUWGANGPJKKEP-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189727;MM189727;CC1C(C(F)C=O)N1C;FZAOMORVORBJFN-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189728;MM189728;NN=c1nnncn1O;IDOGUXXNMWFLRX-UHFFFAOYSA-N;128.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189729;MM189729;O=CC(=O)C1CC(O)C1;NQYZCGIXTOPLNM-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189730;MM189730;C=CC(=C)C1CC(F)C1;CRFHWPRYFNKCIN-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189731;MM189731;C=C(C=O)C1CC(F)C1;DUXPBIMJBLIHBV-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189732;MM189732;C=C(C#N)C1CC(F)C1;MSRHCYPYTFLQRQ-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189733;MM189733;C=CC(=O)C1CC(F)C1;FJDDUPJCMMMJFS-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189734;MM189734;CON=CC(O)C(C)(C)C;BGZCFMRWXJGRMX-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189735;MM189735;C#CC(=C)C1CC(C)C1;CBJQRWRYGVWVFQ-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189736;MM189736;C#CC(=C)C1CC(N)C1;KMOOARJPLGWPLN-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189737;MM189737;N=C(N)C(F)(F)C(=O)CO;QSJKYNLNBJAYHY-UHFFFAOYSA-N;152.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189738;MM189738;C#CC(=O)C1CC(O)C1;SBSHYOASODICJC-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189739;MM189739;C#CC(=C)C1CC(F)C1;ADHPGABUJUXIAB-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189740;MM189740;C#CC(=C)C1CC(C)N1;VMNZJGHEGZDZJR-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189741;MM189741;C#CC(=C)C1CN(C)C1;GUCUSTKMRKUYNI-UHFFFAOYSA-N;121.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189742;MM189742;C#CC(=C)C1CC(=O)C1;IMCFMDZSWVJWNN-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189743;MM189743;CC=C(C)C1CC(C)C1;UYCJBXVOLJMBHX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189744;MM189744;CC=C(F)C1CC(C)C1;LXSXRSDDYGPCTD-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189745;MM189745;CC=C(C)C1CC(N)C1;MFBGVVRUTJHUQY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189746;MM189746;CC(CC(N)=O)=NN=CN;MMFVQWLDGAOVDU-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189747;MM189747;CC=C(C)C1CC(F)C1;QBVTVVUKBGDYMJ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189748;MM189748;CC(=NN)C1CC(C)C1;JLKWJHVYECVQQW-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189749;MM189749;CC(=NO)C1CC(C)C1;CHJFNGVTSCPZNC-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189750;MM189750;CC(=NO)C1CC(N)C1;WMABFQZHYDUUKK-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189751;MM189751;CC(=NN)C1CC(F)C1;CJNOGRJOJMIZQI-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189752;MM189752;CC(=NO)C1CC(F)C1;HRLHHQOAKQSFTK-UHFFFAOYSA-N;131.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189753;MM189753;CC=C(C)C1CN(C)C1;JACAQLRCCOKRRZ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189754;MM189754;CCCC1CCC(C)C1;HRSBIYASWAILIF-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189755;MM189755;CC1CCC(CCN)C1;IFILSKFJODFDCQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189756;MM189756;CCCC1CCC(N)C1;BFYOROQYERCOPW-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189757;MM189757;NCCC1CCC(N)C1;VOEVHZFXCJHABN-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189758;MM189758;C=NN(C)CC(=O)C(C)O;FBSCUJSKKHCGIN-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189759;MM189759;NCCC1CCC(O)C1;IPEJGMVVPMNACG-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189760;MM189760;CCCC1CCC(F)C1;HZAYMZAVIJIEFX-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189761;MM189761;NCCC1CCC(F)C1;DUCXHUJCNDEKHC-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189762;MM189762;CNCC1CCC(N)C1;FMMABWMKDOLEBI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189763;MM189763;CCNC1CCC(O)C1;AGHUJXSHAABVRO-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189764;MM189764;CCCC1CNC(C)C1;LAOBSTSFFIARKB-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189765;MM189765;CNCC1CNC(C)C1;RNLWITLJJLCWAX-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189766;MM189766;CCCC1CC(C)CN1;SAAXEKRBICMTDE-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189767;MM189767;CCCC1CC(N)CN1;ZXDXGQWSJWQDRR-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189768;MM189768;NCCC1CC(N)CN1;RIIATSZJGLOFJX-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189769;MM189769;CCCC1CC(C)CO1;WLKGWAWOUFIAOH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189770;MM189770;CCCC1CC(N)CO1;LMGJZRMLDDBQNV-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189771;MM189771;CCCC1CC(O)CO1;KOEAVLUEWFCSFY-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189772;MM189772;CCCC1CC(F)CO1;JGTHGWBUCXUDOZ-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189773;MM189773;CCCC1CCC(C)N1;AYWQPMPVPSZNAZ-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189774;MM189774;CC1CCC(CCN)N1;HIFRDPONQUIBSC-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189775;MM189775;CCCC1CCC(C)O1;MUMNPLKNFMWPLE-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189776;MM189776;CCCC1CCN(C)C1;SQYCAEUTCTZVSG-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189777;MM189777;CCNC1CCN(C)C1;RPTGTAYSFGXFGV-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189778;MM189778;CC1CCN(CCN)C1;DXDQFNSYQQZGCG-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189779;MM189779;CCCN1CCC(N)C1;QQBSLNKWDXZLKL-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189780;MM189780;CCCN1CCC(O)C1;GGZXJZZUBNDABX-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189781;MM189781;CCCN1CCC(F)C1;DEQMGRBEQKOFRD-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189782;MM189782;C=CCC1CCC(C)C1;CFTJIJVHINXICL-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189783;MM189783;CC1CCC(CC=O)C1;GVOLJUIKNSUFMB-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189784;MM189784;CC1CCC(CC#N)C1;KAYLLVVQTAJAHN-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189785;MM189785;C=CCC1CCC(N)C1;KWLXUEZXKDTOSX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189786;MM189786;CC(=N)Nc1noc(=O)o1;HBIUQVDASIFLEF-UHFFFAOYSA-N;143.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189787;MM189787;N=C(OC=O)N(O)C=NN;IWCUYWQBZLHVFX-UHFFFAOYSA-N;146.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189788;MM189788;C#CC(O)CCON=CC;XUSWCFPHFVWUDG-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189789;MM189789;C=CCC1CCC(F)C1;KZHZNUQWKFMZPH-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189790;MM189790;CC1CCC(NC=N)C1;WEFBQZPQPFFQQE-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189791;MM189791;C=COC1CCC(N)C1;NOGQUAMKRHYFRE-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189792;MM189792;C=CCC1CNC(C)C1;PGDSQCNYLVEZFD-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189793;MM189793;CC1CC(CC=O)CN1;DVNNDEGQLFKOGZ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189794;MM189794;CC1CC(CC#N)CN1;GHUQLDATPJMUFJ-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189795;MM189795;CC1CC(NC=N)CN1;DXPKXQBVHFLSBJ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189796;MM189796;C=NNC1CNC(C)C1;HBTNNNFVERWEJL-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189797;MM189797;C=CCC1COC(C)C1;WQINJUJMJHWIPF-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189798;MM189798;CC1CC(CC=O)CO1;LZANIXKCKJAEBP-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189799;MM189799;CC1CC(CC#N)CO1;BLZAAHUROYYGMN-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189800;MM189800;C=CCC1CC(C)CN1;WFLJJBFXWRXJDU-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189801;MM189801;C=CCC1CC(N)CN1;AECDKKJVYMUNKH-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189802;MM189802;C=CCC1CC(O)CN1;ALXOFKXJTYVDEE-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189803;MM189803;C=CCC1CC(F)CN1;GICUSODKSVPRNV-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189804;MM189804;C=CCC1CC(N)CO1;JWYAUYCCGHOTME-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189805;MM189805;C=CCC1CC(O)CO1;DDLIIPARWMVBID-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189806;MM189806;N#CCC1CC(O)CO1;FGIXGGQGDLERIZ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189807;MM189807;C=CCC1CC(F)CO1;MJVQJDVBUYKXPM-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189808;MM189808;N#CCC1CC(F)CO1;WVXXZSMTFDALQX-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189809;MM189809;C=CCC1CCC(C)N1;NDWJTBCNRNWROC-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189810;MM189810;CC1CCC(CC#N)N1;QPRYKWKHLLKRIU-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189811;MM189811;C=CCC1CCC(C)O1;CRGNNJPPCUECCJ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189812;MM189812;CC1CCC(CC#N)O1;TUJQWAWDYVYNHF-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189813;MM189813;CC1OCC(CC#N)O1;AUMDSEJVJKRLKH-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189814;MM189814;C=CCC1CCN(C)C1;UZBNNUJTZYCCMF-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189815;MM189815;CC1CCN(CC#N)C1;RVBWFAXLNBHKOT-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189816;MM189816;C=CCN1CCC(O)C1;QEMRXWOQEHEUNZ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189817;MM189817;C=NOC(=NC)N(O)C=N;LCVMNKLAQUFGSX-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189818;MM189818;N#CCN1CCC(F)C1;STDNVUHCQUSJCB-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189819;MM189819;CC1CCN(NC=N)C1;VQFYZXTYLKESJF-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189820;MM189820;C#CCC1CCC(C)C1;OVSMIERASHVZFV-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189821;MM189821;C#CCC1CCC(N)C1;KJUJTQQBKBBCGC-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189822;MM189822;COc1nc(=N)ncn1O;RUVZIFQZTFZEMC-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189823;MM189823;C#CCC1CCC(F)C1;LIWPHENEHZWHNQ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189824;MM189824;C#CCC1CNC(C)C1;VRTUSASGHGAPLE-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189825;MM189825;C#CCC1COC(C)C1;AUPNZASVIJYQQB-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189826;MM189826;C#CCC1CC(N)CN1;IYOZJLJYOAAAFG-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189827;MM189827;C#CCC1CC(O)CN1;FHQDNCWSEXVOJX-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189828;MM189828;C#CCC1CC(F)CN1;SJHXYBDLXINUSE-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189829;MM189829;C#CCC1CC(C)CO1;BOIAROCMKATOAN-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189830;MM189830;C#CCC1CC(N)CO1;LFGKDVLWPBEAFJ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189831;MM189831;C#CCC1CC(O)CO1;CSPFVUXNIQWMAF-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189832;MM189832;C#CCC1CC(F)CO1;BLPKWIHXXHTMFP-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189833;MM189833;C#CCC1CCC(C)N1;YVPFBRMNRLMOLQ-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189834;MM189834;C#CCC1CCC(C)O1;OYZCSMIUGSVJFO-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189835;MM189835;C#CCC1COC(C)O1;RZUXORAUCDILRK-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189836;MM189836;C#CCC1CCN(C)C1;PLMGHNULPSBERH-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189837;MM189837;C#CCN1CCC(C)C1;QXFNQILKENQPEV-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189838;MM189838;C#CCN1CCC(N)C1;XYWHPTZDLSUSDJ-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189839;MM189839;C=C1CCC(CCC)C1;UHYBLYRHGZYWPT-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189840;MM189840;C=C1CCC(CCN)C1;BYXKDLFQDDMRJM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189841;MM189841;CCCC1CCC(=O)C1;TWKQLPXRUHHFBU-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189842;MM189842;C=C1CCC(CNC)C1;HATHNLRRNNNSIK-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189843;MM189843;C=C1CCC(NCC)C1;QEZIGVZJNZFOKW-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189844;MM189844;CCNC1CCC(=O)C1;ODDVKLROLHROJL-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189845;MM189845;CCCC1CNC(=N)C1;WSOMLXPJARKHAD-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189846;MM189846;N=C1CC(CCN)CN1;XADUHTPOEVLSRR-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189847;MM189847;CCCC1CNC(=O)C1;NCBVCRLVTCSQAG-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189848;MM189848;NCCC1CNC(=O)C1;QBGXKUYOXWQWSU-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189849;MM189849;CNCC1CNC(=N)C1;URQKNKHBDROPEJ-UHFFFAOYSA-N;127.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189850;MM189850;CCNC1CNC(=O)C1;KXLGFGQWEBMWLI-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189851;MM189851;C=C1CC(CCC)CO1;ROVDBWIWOSBJPL-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189852;MM189852;C=C1CC(CCN)CO1;IFTRHRHPIBWPNV-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189853;MM189853;CCCC1COC(=O)C1;NVTUTJMZAZZKAZ-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189854;MM189854;NCCC1COC(=O)C1;RAPPAJONRYZBCK-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189855;MM189855;C=C1CC(CNC)CO1;YCNLZJGZDYJUBM-UHFFFAOYSA-N;127.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189856;MM189856;C=C1CC(NCC)CO1;IFXAXOGFCDNGMM-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189857;MM189857;CCNC1COC(=O)C1;ICWMMZUPQAWZIF-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189858;MM189858;C=C1CNC(CCC)C1;RTRNKPUWRDGXIY-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189859;MM189859;C=C1CNC(CCN)C1;GSCDHSKTFQQMAS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189860;MM189860;CCCC1CC(=N)NN1;WQEDBZCHMYXWEZ-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189861;MM189861;N=C1CC(CCN)NN1;TUXPXWDAIJFDCJ-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189862;MM189862;C=CNC(=O)C(=NC)NO;XXGBYIXIINZKPV-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189863;MM189863;C=C1COC(CCN)C1;DNBVBFTURCWWCU-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189864;MM189864;CCCC1CC(=O)CO1;RSIDUYVOSCDRLC-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189865;MM189865;CCCC1CC(=N)NO1;QSXQZSPQEVUMRH-UHFFFAOYSA-N;128.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189866;MM189866;CCCC1CCC(=N)N1;KUOCFYPOMVINEW-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189867;MM189867;N=C1CCC(CCN)N1;FLOYKHXCFWNLHS-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189868;MM189868;CCCC1CCC(=O)N1;IRGZEUUQSUZQJA-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189869;MM189869;CCCC1CNC(=N)N1;RGXHUUSFPFSXHJ-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189870;MM189870;CCCC1CNC(=O)N1;HQGNEMNTJFPVKT-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189871;MM189871;CCCC1COC(=O)N1;AZXNSLLITCXHBI-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189872;MM189872;C=C1CCC(CCN)O1;NKXPFPPKDGNKEF-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189873;MM189873;CCCC1CCC(=O)O1;VLSVVMPLPMNWBH-UHFFFAOYSA-N;128.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189874;MM189874;CCCC1CNC(=N)O1;SQKUNVPXQLQUKC-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189875;MM189875;CCCC1CNC(=O)O1;QRDLRQBHRVUZJE-UHFFFAOYSA-N;129.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189876;MM189876;C=C1CCN(CCC)C1;NYVUMRDECBKRLO-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189877;MM189877;CCCN1CCC(=O)N1;GKLAJJCPZVJBQT-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189878;MM189878;C=C1CCC(CC=O)C1;QDIQVVMRRFZWGS-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189879;MM189879;C=C1CCC(NC=N)C1;CVSCBDITCFADGD-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189880;MM189880;C=COC1CCC(=O)C1;LSNGEOBJXHYIIO-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189881;MM189881;O=CCC1CNC(=O)C1;KMTSMSJDYFHTNM-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189882;MM189882;N=CNC1CNC(=O)C1;QAEMXVQZQBIKKR-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189883;MM189883;C=CNC(=O)C(=NN)NN;VAODPFHMKZAOQN-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189884;MM189884;C=COC1CNC(=N)C1;WKHZSWYZKKAYPZ-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189885;MM189885;C=COC1CNC(=O)C1;YYPKQZXYMRNQGJ-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189886;MM189886;C=C1CC(CC=O)CO1;OKTGGNWEJWCMOC-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189887;MM189887;C=CCC1COC(=O)C1;AGYRETBNIAWQSU-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189888;MM189888;C=C1CC(NC=N)CO1;HOJTUUCDKNIUHM-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189889;MM189889;C=NNC1COC(=C)C1;WEPDQGQIYVSCCL-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189890;MM189890;C=COC1COC(=C)C1;BAIMWTATVRSOEI-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189891;MM189891;C=COC1COC(=O)C1;YPPPKJZLHHOGDO-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189892;MM189892;C=CCC1CC(=C)CN1;NVIKEFFGNXIXDP-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189893;MM189893;C=C1CNC(CC=O)C1;ZTSFRRSBVCWIAJ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189894;MM189894;C=CCC1CC(=N)NN1;VTYRZJPGULAWPL-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189895;MM189895;N#CCC1CC(=N)NN1;AUWBPPVBYVDLAJ-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189896;MM189896;C=NNC1C=CC(CF)=C1;JRWPBVBKJDYPAG-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189897;MM189897;N#CCC1CC(=O)NN1;QFFUXTRYFCTGMO-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189898;MM189898;C=CCC1CC(=C)CO1;ZTKJESOUSYZKDT-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189899;MM189899;C=CCC1CC(=O)CO1;YOTLVEZDRKCFKT-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189900;MM189900;N#CCC1CCC(=O)N1;FECZAWYEEQYLTK-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189901;MM189901;C=CCC1CNC(=N)N1;XISCHOFTQDYPGL-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189902;MM189902;N#CCC1CNC(=N)N1;BDMXOFDPQLKPGA-UHFFFAOYSA-N;124.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189903;MM189903;C=CCC1COC(=O)N1;QKVAJVLWNUNBOU-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189904;MM189904;N#CCC1COC(=O)N1;GYLSHPHETVNVKB-UHFFFAOYSA-N;126.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189905;MM189905;C=C1CCC(CC#N)O1;IOVMCAOYOLJIBV-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189906;MM189906;N#CCC1CCC(=O)O1;PKEXJRGFRXIJRR-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189907;MM189907;N#CCC1CNC(=N)O1;GYYFWCKPLSXDCS-UHFFFAOYSA-N;125.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189908;MM189908;N#CCC1CNC(=O)O1;KDGMWQJAZLQEAC-UHFFFAOYSA-N;126.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189909;MM189909;C=CCC1COC(=O)O1;UBYRBSCRCKTBDD-UHFFFAOYSA-N;128.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189910;MM189910;N#CCC1COC(=O)O1;YSQWXCFHULEBDL-UHFFFAOYSA-N;127.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189911;MM189911;C=CCC1OCC(=O)O1;FANQIHAZQJCUDP-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189912;MM189912;NN=Cc1coc(CO)c1;VEMXGTOWUODXRG-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189913;MM189913;N#CCN1CCC(=N)N1;VUZSEUBLBDFLJF-UHFFFAOYSA-N;124.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189914;MM189914;C#CCC1CCC(=C)C1;IXPWXJIPGJEBMJ-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189915;MM189915;C#CCC1CNC(=N)C1;NIBKQIYQIARGSA-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189916;MM189916;C#CCC1COC(=C)C1;NCKGPDVRNXASBD-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189917;MM189917;C#CCC1COC(=O)C1;BTAJLCITGNNWDT-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189918;MM189918;C#CCC1CC(=C)CN1;SWRQYVHTESWRCS-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189919;MM189919;C#CCC1CC(=N)NN1;HZGCANKKEKKLNI-UHFFFAOYSA-N;123.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189920;MM189920;C#CCC1CC(=C)CO1;UGLOHWAFBYJCBW-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189921;MM189921;C#CCC1COC(=O)N1;QVHPXNYTYUNXGC-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189922;MM189922;C#CCC1CCC(=C)O1;NXPXBDOISUPIGA-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189923;MM189923;C#CCC1CNC(=O)O1;CCEMWKUNOFOTDL-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189924;MM189924;N#CC=CNC(=O)C1CN1;CPDSSHKRVYKXAP-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189925;MM189925;CC=CC1CCC(C)C1;ALRFNSRIWANGQN-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189926;MM189926;CC=CC1CCC(N)C1;YYXIFFQRZQXFCX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189927;MM189927;CON=C(C)NNC=O;OMHMPKKHUWEJER-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189928;MM189928;CC=CC1CCC(F)C1;HGZPAVVMPXNIQQ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189929;MM189929;CC=CC1CNC(C)C1;OPBXAKABEKDTRX-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189930;MM189930;CC1CC(C=NN)CN1;BJSNUXBQHQERMA-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189931;MM189931;CC=CC1COC(C)C1;CHQQMAZJXQPSBG-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189932;MM189932;CC=CC1CC(N)CN1;WFTDHHCOCKHUDE-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189933;MM189933;CC=CC1CC(O)CN1;ZBDCFXPTUUSCSC-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189934;MM189934;CC=CC1CC(N)CO1;QVJMEMRLYBKKEY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189935;MM189935;CC=CC1CC(O)CO1;IOLXRPVXMMMSJG-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189936;MM189936;CC=CC1CCC(C)N1;SWYAOLYKRSQCKW-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189937;MM189937;CC=CC1CCC(C)O1;QALPNLMIMUCTEG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189938;MM189938;CC=CC1COC(C)O1;OPRCWSSMLNKNCN-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189939;MM189939;CC=CC1CCN(C)C1;ARUZNMDWOWKXSL-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189940;MM189940;CN1CCC(C=NN)C1;MTTVTKYUXIATIH-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189941;MM189941;CN=CN1CCC(C)C1;UCZRNNFATSAGKY-UHFFFAOYSA-N;126.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189942;MM189942;CN=CN1CCC(N)C1;OFXFRASYNSJSSE-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189943;MM189943;CC=NN1CCC(C)C1;QGWLDYYTYSUHKW-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189944;MM189944;CC=NN1CCC(N)C1;QBZCVXOMDHZMIU-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189945;MM189945;COC(=N)N(O)C=NN;IPHHFZBABHATRI-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189946;MM189946;CC=NN1CCC(F)C1;QMRVVDUAYFOIEX-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189947;MM189947;CC=CC1CCC(=O)C1;GGBIGYPDQYSYAT-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189948;MM189948;C=C1CC(C=CC)CO1;WOPFSGGKRSGFOJ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189949;MM189949;CC=CC1COC(=O)C1;LLNJOXWGZNMXKA-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189950;MM189950;C=C1CNC(C=CC)C1;NAVJUBNELJPPKU-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189951;MM189951;CC=CC1CC(=N)NN1;LLHZIUJSUPCENN-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189952;MM189952;CC=CC1CC(=O)NN1;RDYKXAVHHGRNFZ-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189953;MM189953;C=C1COC(C=CC)C1;MPJYUZONBLIYGN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189954;MM189954;CC=CC1CCC(=O)N1;OEXDAOYNGOCSJN-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189955;MM189955;CC=CC1CNC(=N)N1;VHTGCSDCUAAIFI-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189956;MM189956;CC=CC1COC(=O)N1;RTDDMMHMIAPRRG-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189957;MM189957;CC=CC1CCC(=O)O1;SJOULYKUPMBQPD-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189958;MM189958;CC=CC1CNC(=O)O1;BTBUQAYQZPEKPW-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189959;MM189959;CC=CC1OCC(=O)O1;DLSCJRWDWMAWJP-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189960;MM189960;CC=CC1ONC(=N)O1;YBYQJODJBXZGIY-UHFFFAOYSA-N;128.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189961;MM189961;C=C1CCN(C=NC)C1;ITNVSYXQCCMLDU-UHFFFAOYSA-N;124.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189962;MM189962;CN=CN1CCC(=O)C1;SESYQRCTIHHZCR-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189963;MM189963;C=C1CCN(N=CC)C1;QQFMFBGVTJSJIS-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189964;MM189964;Nn1cnc(CO)c1F;ZERVRCDOPVXXFX-UHFFFAOYSA-N;131.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189965;MM189965;C=C1CNN(C=NC)C1;VSCAVZHRMVQPQV-UHFFFAOYSA-N;125.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189966;MM189966;CC#CC1CCC(C)C1;LQUFPYKNMRTBTE-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189967;MM189967;CC#CC1CCC(N)C1;SCGNKOBUZQOPLF-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189968;MM189968;COC(=NN)N(O)C=N;WIMIZZHMNZNCOW-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189969;MM189969;CC#CC1CCC(F)C1;JFSCOZNHHMZSGR-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189970;MM189970;CC#CC1CNC(C)C1;FBVDPKGWPQARMN-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189971;MM189971;CC#CC1CC(C)CN1;CMUVNTYKLSFTSK-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189972;MM189972;CC#CC1CC(N)CN1;QJENPFZDZHLFOQ-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189973;MM189973;CC#CC1CC(O)CN1;AXKPVXILPZIUND-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189974;MM189974;CC#CC1CC(F)CN1;TWAOHWFVUNRMJN-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189975;MM189975;CC#CC1CCC(C)N1;ZCWYVSKCGZITBW-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189976;MM189976;CC#CC1CCC(C)O1;NFOBKSPSQUNTCT-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189977;MM189977;CC#CC1OCC(C)O1;ZQVPBQDCVXJFEJ-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189978;MM189978;CC#CC1CCN(C)C1;XDZZSXFDVHPGAS-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189979;MM189979;C=C1CCC(C#CC)C1;MBUQFTKFRUYOLS-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189980;MM189980;CC#CC1CCC(=O)C1;BBNAWCASCULZIE-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189981;MM189981;CC#CC1CNC(=N)C1;SUWUEPHICFSIMC-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189982;MM189982;CC#CC1CNC(=O)C1;XMIVJKXHSNUDFO-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189983;MM189983;C=C1CC(C#CC)CO1;IHYBDLFPDFKPKH-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189984;MM189984;CC#CC1COC(=O)C1;RVRRLCJKWZQBSE-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189985;MM189985;C=C1CNC(C#CC)C1;RTKOBUXZTCXRRY-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189986;MM189986;CC#CC1CC(=N)NN1;WKMDPBJEQZNCNO-UHFFFAOYSA-N;123.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189987;MM189987;CC#CC1CC(=O)NN1;QMCVSINCPUSFNG-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189988;MM189988;C=C1COC(C#CC)C1;BJKRRJDRFKNKBT-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189989;MM189989;CC#CC1CC(=O)CO1;ZQTOGCJNIPYYMU-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189990;MM189990;CC#CC1CC(=N)NO1;GDSYHYNFQROXLS-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189991;MM189991;CC#CC1CCC(=N)N1;FNOSQQJZUJFNJO-UHFFFAOYSA-N;122.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189992;MM189992;CC#CC1CCC(=O)N1;YEQXZEKGPGBBAM-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189993;MM189993;CC#CC1CNC(=N)N1;OVMHESYKHVIIGE-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189994;MM189994;CC#CC1CNC(=O)N1;KOBKIKSBQIJAAZ-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189995;MM189995;CC#CC1COC(=O)N1;ALYAECMSDWJRHE-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189996;MM189996;C=C1CCC(C#CC)O1;HWWLIMXSVYCENA-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189997;MM189997;CC#CC1CCC(=O)O1;PGEAXZPUSJPBPJ-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189998;MM189998;CC#CC1CNC(=O)O1;UTJYBFBJSGLFND-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM189999;MM189999;CC#CC1COC(=O)O1;RLWQFLDMFXJGTO-UHFFFAOYSA-N;126.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190000;MM190000;C=C1COC(C#CC)O1;DGNYRMDDKRATMW-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190001;MM190001;CC#CC1OCC(=O)O1;PRLUJJSCSKXPGO-UHFFFAOYSA-N;126.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190002;MM190002;OCC1ON=C(NO)O1;LIXFGAIQTPFGLO-UHFFFAOYSA-N;134.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190003;MM190003;CCC=C1CCC(C)C1;ZGCCDGMYPLWGGV-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190004;MM190004;CC1CCC(=CCN)C1;CCOXRVKMYZITTG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190005;MM190005;CC1CCC(=CCO)C1;JEGSIHTYQWPNQG-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190006;MM190006;CCC=C1CCC(N)C1;RWUJZPSLSIWFOQ-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190007;MM190007;NCC=C1CCC(N)C1;UIVXBLCDLABIMB-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190008;MM190008;C=CC(C)(C)C(O)C=NN;WEGHRIWBQQSCNQ-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190009;MM190009;NCC=C1CCC(O)C1;MOLBOEHJJVGPRR-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190010;MM190010;CCC=C1CCC(F)C1;TWHQTKBFPIWDSO-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190011;MM190011;NCC=C1CCC(F)C1;QQYUEPAOBBVSDE-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190012;MM190012;CCC=C1CNC(C)C1;GPFLTNZGCJHMMW-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190013;MM190013;CC1CC(=CCN)CN1;WHJOJEXMVCRQNN-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190014;MM190014;CCC=C1COC(C)C1;LIWSMDGOLQPVDX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190015;MM190015;CC1CC(=CCN)CO1;AQJSEIWWHZWCCM-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190016;MM190016;CCN=C1CC(C)CN1;TWOSHWXHFFLEAW-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190017;MM190017;CCN=C1CC(N)CN1;NAWHQQHQOQGNIZ-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190018;MM190018;CCN=C1CC(F)CN1;AXZMTBJNAUBHNK-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190019;MM190019;CCN=C1CC(C)NN1;DFQGNJRQBQKEQR-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190020;MM190020;CCC=C1CC(N)CO1;NGVROSPBSICAAT-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190021;MM190021;NCC=C1CC(N)CO1;ZYVRSAQVBFPLAE-UHFFFAOYSA-N;128.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190022;MM190022;CCC=C1CC(O)CO1;UDGRRPCBICRGKS-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190023;MM190023;CCN=C1CCC(C)N1;DITMMULXIMPITO-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190024;MM190024;CCN=C1NCC(C)N1;YRUXRALRPWVGPI-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190025;MM190025;CCC=C1CCC(C)O1;HJLNNBRAPVVROI-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190026;MM190026;CCC=C1COC(C)O1;RRMXAEWLKJASEC-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190027;MM190027;CCC=C1CCN(C)C1;GHMZWHRUESCLLJ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190028;MM190028;CN1CCC(=CCN)C1;ADIDSBTUWKISTI-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190029;MM190029;CN1CCC(=CCO)C1;SXSIYVIIRVIZOJ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190030;MM190030;CCN=C1CCN(C)N1;WSZBSTQJGIKGCG-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190031;MM190031;C=CC=C1CCC(C)C1;ZQBYPAYADJYZGU-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190032;MM190032;CC1CCC(=CC=O)C1;ODLIGYKJWMIWJX-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190033;MM190033;CC1CCC(=CC#N)C1;FYCUPUJRGSNDIN-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190034;MM190034;C=CC=C1CCC(N)C1;PUMUDBCUFGJUOU-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190035;MM190035;CN(C=CF)C=NC(N)=O;OCXLTFHXFLWEAF-UHFFFAOYSA-N;145.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190036;MM190036;C=CN(N)C(=O)NC(=C)C;YOUSXUIRKIRLHL-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190037;MM190037;C=CN(O)C(C)=NC(N)=O;XAFFXNDPNQIQPQ-UHFFFAOYSA-N;143.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190038;MM190038;C=CC=C1CCC(F)C1;FKIWPBCKDJAMAU-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190039;MM190039;O=CC=C1CCC(F)C1;ONWOTBQMACCLQI-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190040;MM190040;N#CC=C1CCC(F)C1;VFAQICPFADUCPY-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190041;MM190041;C=NN=C1CCC(C)C1;JSPXVCVSGUCBJZ-UHFFFAOYSA-N;124.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190042;MM190042;C=NN=C1CCC(O)C1;PCOZICOQFRBIJA-UHFFFAOYSA-N;126.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190043;MM190043;C=NN=C1CCC(F)C1;IZVCWWXIZKZWFW-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190044;MM190044;C=CC=C1CNC(C)C1;DFTBRNJIIAFRQR-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190045;MM190045;CC1CC(=CC=O)CN1;NIIYRVGDCVJFAL-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190046;MM190046;C=CC=C1COC(C)C1;VYSSNSUDCWTNQN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190047;MM190047;CC1CC(=CC=O)CO1;RCHBHIQECVOFBY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190048;MM190048;CC1CC(=CC#N)CO1;JKBZKBNNOPOQBI-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190049;MM190049;CC1CNC(=CC=O)C1;NBVDOHUHNOFDRK-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190050;MM190050;CC1CNC(=CC#N)C1;KWHPRXRBFBLTBL-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190051;MM190051;O=CC=C1CC(O)CN1;TUVIQHVFMYQSFF-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190052;MM190052;CC(=O)CC(C#N)=C(N)N;MICTUFWUMZZERE-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190053;MM190053;O=CC=C1CC(F)CN1;PBXLEFKLQWXSCD-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190054;MM190054;N#CC=C1CC(F)CN1;QRTQXRAGKFBLGF-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190055;MM190055;N=CNC1=NCC(N)C1;FAURXGMYQNIJBQ-UHFFFAOYSA-N;126.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190056;MM190056;N=CNC1=NCC(O)C1;DVXHBZXYVUSNTF-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190057;MM190057;C=NNC(=N)C(O)CCO;UCLFPBBCGFVDMN-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190058;MM190058;C=CNC(=O)C(N)=NOC;OZULWOJQNYTGAS-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190059;MM190059;CC1CC(NC=N)=NN1;DQWOVIPADIUYNK-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190060;MM190060;C=CC=C1CC(C)CO1;BMUHRWMQPVBFHE-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190061;MM190061;CC1COC(=CC#N)C1;RFGOGCHGVUYGHN-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190062;MM190062;C=CC=C1CC(N)CO1;PEKFFQIVTRHKRX-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190063;MM190063;C=CC=C1CC(O)CO1;NZEKZMKMSQBXIE-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190064;MM190064;N#CC=C1CC(O)CO1;AYFSTCJBIZYTNB-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190065;MM190065;C=CC=C1CC(F)CO1;VPTBGYNRYFNSJY-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190066;MM190066;N#CC=C1CC(F)CO1;CQMOANKABJHADR-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190067;MM190067;CC1CCC(=CC=O)N1;AAESFBHGHMOLJL-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190068;MM190068;CC1CCC(=CC#N)N1;FGNSMBFQSDGOIS-UHFFFAOYSA-N;122.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190069;MM190069;CC(O)C(=O)CNCC#N;IJGPCIVNPJVZGD-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190070;MM190070;CC1CNC(=CC=O)N1;QBPPRVQFCHTRIB-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190071;MM190071;CC1CNC(=CC#N)N1;LQWLHIMBNQRSAL-UHFFFAOYSA-N;123.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190072;MM190072;CC1CNC(=NC=N)N1;QJBIYTJGFNGREQ-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190073;MM190073;CC1COC(=CC=O)N1;GACBICZXCZPYMY-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190074;MM190074;CC1COC(=CC#N)N1;KEQWPTIYSHJRBF-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190075;MM190075;C=CC=C1CCC(C)O1;RVQONSQKZUXSTI-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190076;MM190076;CC1CCC(=CC=O)O1;IJGCPJWTDDIJKU-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190077;MM190077;CC1CCC(=CC#N)O1;TVDWRRRHOBQLCP-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190078;MM190078;C=CC=C1COC(C)O1;QGVREISBPBTNTG-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190079;MM190079;CC1OCC(=CC#N)O1;VRHAGBXYMVITNC-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190080;MM190080;CC1CNC(=CC#N)O1;AXHFAKGRLZLYBV-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190081;MM190081;C=CC=C1CCN(C)C1;YKYBZHOXGSSWIJ-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190082;MM190082;CN1CCC(NC=N)=N1;ZAPWXKRTALMLBJ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190083;MM190083;C#CC=C1CCC(C)C1;JKSNNIRBRVFMCU-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190084;MM190084;C#CC=C1CCC(N)C1;UZVPEQCPRKKWPJ-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190085;MM190085;C=NOC1CC1(O)C(C)C;MXEODKBFKHPXHQ-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190086;MM190086;C#CC=C1CCC(F)C1;FWEWMAWYNWHYOA-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190087;MM190087;C#CC=C1CNC(C)C1;SCKZZBWMNRWBLS-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190088;MM190088;C#CC=C1COC(C)C1;GQOAUFTZLYXAML-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190089;MM190089;C#CC=C1CC(C)CO1;OMLFJPYROJFMAY-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190090;MM190090;C#CC=C1CC(N)CO1;IMUMBJHXZMFPDA-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190091;MM190091;C#CC=C1CC(O)CO1;NZYMKTJWWUDGCN-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190092;MM190092;C#CC=C1CC(F)CO1;QPBIJUXOAATHMA-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190093;MM190093;C#CC=C1CCC(C)O1;WPQSUJDWRWJVAJ-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190094;MM190094;C#CC=C1COC(C)O1;LROMVLAMRGMXHD-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190095;MM190095;C#CC=C1CCN(C)C1;JLDAIHHLRBPQFH-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190096;MM190096;C=C1CCC(=CCC)C1;AXXULPVRPLRDAW-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190097;MM190097;C=C1CCC(=CCN)C1;VBCUTDPXXIHFJR-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190098;MM190098;C=C1CCC(=CCO)C1;ANSSVAAUUNQKFX-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190099;MM190099;CCC=C1CCC(=O)C1;XGODMVRCGCZYQO-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190100;MM190100;O=C1CCC(=CCO)C1;CVZAZWQTOJLQAP-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190101;MM190101;CCC=C1CNC(=N)C1;NZLADSFOHGMIME-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190102;MM190102;N=C1CC(=CCN)CN1;CVNVWGDYSCHGDR-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190103;MM190103;N=C1CC(=CCO)CN1;JRCGIHIDEPYXCO-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190104;MM190104;CCC=C1CNC(=O)C1;PWTHOQWVIGFDBT-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190105;MM190105;NCC=C1CNC(=O)C1;WMKYHBITWQIZSA-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190106;MM190106;O=C1CC(=CCO)CN1;PLUCQQRARSVZLV-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190107;MM190107;C=C1CC(=CCC)CO1;CLEZLNXHVGKUOQ-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190108;MM190108;C=C1CC(=CCN)CO1;RTZFJBXTTZKGNR-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190109;MM190109;C=C1CC(=CCO)CO1;SIKRFZDQACYOJC-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190110;MM190110;CCC=C1COC(=O)C1;SAKHVRVIBKTRRW-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190111;MM190111;NCC=C1COC(=O)C1;CITDVGMWLIVXOT-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190112;MM190112;O=C1CC(=CCO)CO1;XEXIETWRFDIEAX-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190113;MM190113;C=C1CNC(=NCC)C1;HJHGSXGEMLZVMH-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190114;MM190114;CCN=C1CC(=O)CN1;JPMPNSMNVSEAFP-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190115;MM190115;CCN=C1CC(=N)NN1;KTIGFGYRTWRBAT-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190116;MM190116;C=NOC(C=NN)C(N)=O;NVDGSNJZEIAKKZ-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190117;MM190117;C=C1COC(=CCC)C1;GCPRBURXMTTYNU-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190118;MM190118;C=C1COC(=CCN)C1;QMIDXBWJPLUYSY-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190119;MM190119;CCC=C1CCC(=N)N1;RHRVPIFAKSFIHN-UHFFFAOYSA-N;124.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190120;MM190120;N=C1CCC(=CCN)N1;UUEUQXRSTNFJOK-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190121;MM190121;CCC=C1CCC(=O)N1;LBGKTHNSAFDBCZ-UHFFFAOYSA-N;125.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190122;MM190122;NCC=C1CCC(=O)N1;FCPWYAFWKQUQTJ-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190123;MM190123;C=C1CCC(=NCC)N1;LEUVUDQGWGZJPM-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190124;MM190124;CCN=C1CCC(=N)N1;ULDYLVSWTHBCKI-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190125;MM190125;Nc1cc(=O)nc(N)n1O;PHBRROLCXYXCIU-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190126;MM190126;CCC=C1CNC(=N)N1;IDRDNPCRHTVKBW-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190127;MM190127;N=C1NCC(=CCN)N1;LFLHNARYWJWELE-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190128;MM190128;CCC=C1CNC(=O)N1;IAAFOUDKKHAUFY-UHFFFAOYSA-N;126.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190129;MM190129;NCC=C1CNC(=O)N1;XEGQMVCMUGNMEM-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190130;MM190130;CCN=C1CNC(=N)N1;SWMJLBQYCLIKQS-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190131;MM190131;C=NN(C)C(=O)C(=O)CO;KMZCKQKCVCTEFR-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190132;MM190132;N=C1NC(=CCN)CO1;SOXFYYPVKYTFRQ-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190133;MM190133;CCC=C1COC(=O)N1;IPZUJKHEDWILGH-UHFFFAOYSA-N;127.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190134;MM190134;NCC=C1COC(=O)N1;ZQXIAXRGGXMUDM-UHFFFAOYSA-N;128.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190135;MM190135;C=CN(C)C(=O)CC=NN;AZBZKKFYSJXRSC-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190136;MM190136;CCN=C1COC(=O)N1;ZRRPSYYKISXZNR-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190137;MM190137;C=C1CNC(=NCC)N1;WMQHXCLMCSZJPO-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190138;MM190138;CCN=C1NCC(=N)N1;TUCSOLGLMBPYLJ-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190139;MM190139;C#CC(O)CCOC=NN;DOFLPHFEBWSQCN-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190140;MM190140;CCC=C1NC(=N)CO1;FIHUKKJTUJUTLC-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190141;MM190141;C=Cc1nnn(O)c(=O)n1;QSKPECGGABUOEY-UHFFFAOYSA-N;140.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190142;MM190142;N=c1nn[nH]c(=O)o1;ZSXRBGDSBUHXRS-UHFFFAOYSA-N;114.06;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190143;MM190143;ON=c1o[nH]c(O)c1F;UWDSBQYNPRSONT-UHFFFAOYSA-N;134.07;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190144;MM190144;C=C1CCC(=CCC)O1;KEUIMFHXDNOVPQ-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190145;MM190145;C=C1CCC(=CCN)O1;OJOMLGWDDCUVFO-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190146;MM190146;CCC=C1CCC(=O)O1;KEYOJOWCCJEFMO-UHFFFAOYSA-N;126.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190147;MM190147;NCC=C1CCC(=O)O1;WCLNPQUPLGPIJI-UHFFFAOYSA-N;127.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190148;MM190148;CCC=C1COC(=O)O1;YUTXHINUXSMTCT-UHFFFAOYSA-N;128.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190149;MM190149;Cc1c(O)n(O)nnc1=O;JNYVYWIZAGUYKO-UHFFFAOYSA-N;143.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190150;MM190150;N#CC(=O)C(CCF)=NO;VYHNRQGPTXELNW-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190151;MM190151;O=c1nc(CO)nnn1O;UJUNGWNXAULHAB-UHFFFAOYSA-N;144.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190152;MM190152;COCC#CC(C#N)=NO;IFMRFNUTRZXMMP-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190153;MM190153;CNN=c1o[nH]c(=O)o1;CFIAILITYYGKQI-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190154;MM190154;Nc1c(CO)noc1O;AYTFDXWROMNXLZ-UHFFFAOYSA-N;130.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190155;MM190155;C=CC=C1CCC(=C)C1;RXARLQLXFSNIPV-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190156;MM190156;C=C1CCC(=CC=O)C1;CBKPHKBRGVULAB-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190157;MM190157;C=C1CCC(=CC#N)C1;GNGSORJQGNUTKK-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190158;MM190158;C=CC=C1CCC(=O)C1;HTZRXFBEAJMICH-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190159;MM190159;O=CC=C1CCC(=O)C1;UBERDZXWMDMOHK-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190160;MM190160;N#CC=C1CCC(=O)C1;ZSNAYLJXZLRVOQ-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190161;MM190161;C=NN=C1CCC(=C)C1;YPJYQPOSQLJDCI-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190162;MM190162;C=NN=C1CCC(=O)C1;BPGJGUHGHLNVCR-UHFFFAOYSA-N;124.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190163;MM190163;C=CC=C1CNC(=N)C1;IIEHJNIJQRCTRD-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190164;MM190164;N=C1CC(=CC=O)CN1;FREGPVIAQYSORH-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190165;MM190165;N#CC=C1CNC(=N)C1;GQCDVWPMXBGTPH-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190166;MM190166;C=CC=C1CNC(=O)C1;KHAYYXXXYJAOON-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190167;MM190167;O=CC=C1CNC(=O)C1;PSYRIEAMKUBNKS-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190168;MM190168;N#CC=C1CNC(=O)C1;VVGNNDJBFMKGKP-UHFFFAOYSA-N;122.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190169;MM190169;C=NN=C1CNC(=N)C1;IBPCSXKGQGEFPI-UHFFFAOYSA-N;124.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190170;MM190170;C=NN=C1CNC(=O)C1;VCBDTJLJWNEZPD-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190171;MM190171;C=CC=C1COC(=C)C1;ULKXNQSKXGOMGY-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190172;MM190172;C=C1CC(=CC=O)CO1;BKCWCWWPMDKTFP-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190173;MM190173;C=C1CC(=CC#N)CO1;CQGDTSYZNNCNDM-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190174;MM190174;C=CC=C1COC(=O)C1;ROYVXJUBYATNTM-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190175;MM190175;O=CC=C1COC(=O)C1;CXUOFRTVKSBNJS-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190176;MM190176;N#CC=C1COC(=O)C1;KAQYIADXNCXLEW-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190177;MM190177;C=NN=C1COC(=C)C1;DLVYWQGFDWZVLZ-UHFFFAOYSA-N;124.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190178;MM190178;C=NN=C1COC(=O)C1;VPLRMMIEPWIJPT-UHFFFAOYSA-N;126.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190179;MM190179;C=C1CNC(=CC=O)C1;STBWCFNVPVKXAC-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190180;MM190180;C=C1CNC(=CC#N)C1;VWFLVWLBKQLFSU-UHFFFAOYSA-N;120.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190181;MM190181;C=C1CN=C(NC=N)C1;YFSMRPCATNWIBK-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190182;MM190182;N=c1c(=O)ncn(N)n1O;PQKDIDMHZGUYKR-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190183;MM190183;C=CC=C1CC(=C)CO1;ZBIHGQIHQHLRSK-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190184;MM190184;C=C1COC(=CC#N)C1;MKWVWCZQGFDBRC-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190185;MM190185;C=CC=C1CC(=O)CO1;IYZJXVXPITXQNX-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190186;MM190186;C=CC=C1CCC(=N)N1;ITBPYHSNZIVYET-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190187;MM190187;N=C1CCC(=CC=O)N1;PHUYCHVYKXKRSS-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190188;MM190188;N#CC=C1CCC(=N)N1;UGWXOTRYJNOXKF-UHFFFAOYSA-N;121.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190189;MM190189;C=CC=C1CCC(=O)N1;BWJDTQGUSAMVLO-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190190;MM190190;O=CC=C1CCC(=O)N1;UYXMFVVIBJWDBP-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190191;MM190191;N#CC=C1CCC(=O)N1;QKHWXMPVQATKJM-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190192;MM190192;C=C1CCC(NC=N)=N1;QKUQNQCMOJPYAU-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190193;MM190193;N=CN=C1CCC(=N)N1;CJDGXAZRZFCZPC-UHFFFAOYSA-N;124.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190194;MM190194;C#CCC(O)C(C=C)=NN;LIXYYDHGCGSPNW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190195;MM190195;CNn1oc(CO)nc1=O;IOIDTAQUTWFMDQ-UHFFFAOYSA-N;145.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190196;MM190196;C=NN=C1CCC(=O)N1;TYARHNIKORYHNR-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190197;MM190197;C=CC=C1CNC(=N)N1;LLWUXGHHOXPHJM-UHFFFAOYSA-N;123.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190198;MM190198;N=CN=C1CNC(=N)N1;MMKBXFJGCSQZTP-UHFFFAOYSA-N;125.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190199;MM190199;N=CN=C1CNC(=O)N1;VJKHKBWAYWAMQU-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190200;MM190200;C=NN=C1CNC(=N)N1;LVDWPSXQHHFGPL-UHFFFAOYSA-N;125.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190201;MM190201;C=NN=C1CNC(=O)N1;XBLGPEWKYPDJPG-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190202;MM190202;C=CC=C1COC(=O)N1;REGHNKJXBJMWRX-UHFFFAOYSA-N;125.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190203;MM190203;N=CN=C1COC(=O)N1;APIBNHBIZFLRMO-UHFFFAOYSA-N;127.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190204;MM190204;NNc1cnon1;COSXPOLAMXIZMM-UHFFFAOYSA-N;100.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190205;MM190205;N=C1CNC(=CC=O)N1;MEDXPFARPDBIFW-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190206;MM190206;N#CC=C1NCC(=N)N1;DOBLWCSUDPFXRV-UHFFFAOYSA-N;122.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190207;MM190207;O=CC=C1NCC(=O)N1;AUJWLJXNTJVWDL-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190208;MM190208;N#CC=C1NCC(=O)N1;AITVEECPILBKTN-UHFFFAOYSA-N;123.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190209;MM190209;C=C1CNC(=NC=N)N1;MVFMGBUMBVQVPQ-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190210;MM190210;N=CN=C1NCC(=N)N1;YXSUGTWQHXJSGO-UHFFFAOYSA-N;125.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190211;MM190211;N=CN=C1NCC(=O)N1;MUMFCTOAJDEIDA-UHFFFAOYSA-N;126.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190212;MM190212;N=C1NNC(=CC=O)N1;JTBCGCDWVLTIAH-UHFFFAOYSA-N;126.12;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190213;MM190213;N#CC=C1NNC(=N)N1;YZQHKQAYSPBNLU-UHFFFAOYSA-N;123.12;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190214;MM190214;O=CC=C1NNC(=O)N1;MJZPCIDKZRDFPM-UHFFFAOYSA-N;127.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190215;MM190215;N#CC=C1NNC(=O)N1;PNZYARNDGHELNF-UHFFFAOYSA-N;124.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190216;MM190216;C=CC=C1NC(=N)CO1;MJCFLCILMGGRNS-UHFFFAOYSA-N;124.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190217;MM190217;C=CC=C1NC(=O)CO1;FGEBZUCBAKWZGJ-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190218;MM190218;N#CC=C1NC(=O)CO1;UHPNICHRPJENLX-UHFFFAOYSA-N;124.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190219;MM190219;COc1c[nH]c(C)n1;ZCPMWJQPYHKTOJ-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190220;MM190220;Cn1oc(=O)n(O)c1=NO;ROYRSOKCGBHMGU-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190221;MM190221;Cc1c(O)nn(O)c1O;XMHKVWYFQDOTRO-UHFFFAOYSA-N;130.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190222;MM190222;C#Cc1cnn(O)c1O;RSJHVCIVWCBZMT-UHFFFAOYSA-N;124.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190223;MM190223;C=CC=C1CCC(=C)O1;LRZNNDYDJPVMFK-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190224;MM190224;C=C1CCC(=CC=O)O1;PKCKIIDQCGZGFQ-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190225;MM190225;C=C1CCC(=CC#N)O1;VSHHAMQLGZYXKP-UHFFFAOYSA-N;121.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190226;MM190226;C=CC=C1CCC(=O)O1;XYNXDYGOXQJZDB-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190227;MM190227;N#CC=C1CCC(=O)O1;VLKXMIQBHPEUFW-UHFFFAOYSA-N;123.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190228;MM190228;C=NN=C1CCC(=C)O1;LPHKIPCHIFRHMO-UHFFFAOYSA-N;124.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190229;MM190229;C=CC=C1COC(=O)O1;ZNKVLOZHNVWWIK-UHFFFAOYSA-N;126.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190230;MM190230;C=C1CNC(=CC=O)O1;AXDPTKDRSWYQFH-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190231;MM190231;C=C1CNC(=CC#N)O1;LVBDOMADABAHHO-UHFFFAOYSA-N;122.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190232;MM190232;N#CC=C1NCC(=O)O1;OENFWBPRADINBN-UHFFFAOYSA-N;124.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190233;MM190233;NN=c1cc(O)[nH]c(=O)o1;PSRPNYMEVSMZFQ-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190234;MM190234;Cc1[nH]nc(O)c1O;XDQLDZLMKJKHNE-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190235;MM190235;CN=c1[nH]n(O)c(=O)n1C;FETMUFDJVGRYDU-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190236;MM190236;CNn1cc(O)c(C)n1;QBUWGFJSZVEZAI-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190237;MM190237;C=NN=c1o[nH]c(=O)o1;PTUBWSYVCWBKRW-UHFFFAOYSA-N;129.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190238;MM190238;C#CC=C1CCC(=C)C1;CVYGMXQEVIGFKE-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190239;MM190239;C#CC=C1CCC(=O)C1;SHWOSRPRSTVQKE-UHFFFAOYSA-N;120.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190240;MM190240;C#CC=C1CNC(=N)C1;PNQHLPDJYGYFGH-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190241;MM190241;C#CC=C1CNC(=O)C1;UQBFGUDBENDRHK-UHFFFAOYSA-N;121.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190242;MM190242;C#CC=C1COC(=C)C1;JMTHTQMYUZYMJZ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190243;MM190243;C#CC=C1COC(=O)C1;VAVCKMBJOVKRPZ-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190244;MM190244;C#CC=C1CC(=C)CO1;WVVXCDVHWAMOBM-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190245;MM190245;C#CC=C1CC(=O)CO1;DOXDJMLBEGVRJB-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190246;MM190246;C#CC=C1CCC(=N)N1;UEZLYBFIJYEHFU-UHFFFAOYSA-N;120.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190247;MM190247;C#CC=C1CCC(=O)N1;QPXONRDACLKISN-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190248;MM190248;C#CC=C1CNC(=N)N1;VEXNCJDCFDNUJL-UHFFFAOYSA-N;121.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190249;MM190249;C#CC=C1CNC(=O)N1;NJYBESJGENKIQC-UHFFFAOYSA-N;122.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190250;MM190250;C#CC=C1COC(=O)N1;AHQMHKIMCVQIII-UHFFFAOYSA-N;123.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190251;MM190251;C#CC=C1NC(=O)CO1;DNEBCBCVMQRGPP-UHFFFAOYSA-N;123.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190252;MM190252;C#CC=C1CCC(=C)O1;QCEGWNDVMYSUPH-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190253;MM190253;C#CC=C1CCC(=O)O1;ZVJZPCNEPTYRTC-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190254;MM190254;C#CC=C1COC(=O)O1;YUBLYLXQHHDMLZ-UHFFFAOYSA-N;124.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190255;MM190255;CCCC1C=CC(C)C1;BMWXXMPCFVGRDH-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190256;MM190256;CCCC1C=CC(F)C1;WCUCRCZONMFLOR-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190257;MM190257;CNCC1C=CC(N)C1;IIEFCNPIBNLFSY-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190258;MM190258;CCNC1C=CC(C)C1;KWEXHTNEGZRFQZ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190259;MM190259;CCCC1C=CC(C)N1;QPMZLKVZFJYOEB-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190260;MM190260;CCCC1C=NN(C)C1;SUETXQJIPUGALV-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190261;MM190261;CN1CC(CCN)C=N1;HPRNEKQDQNSUJS-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190262;MM190262;COc1c[nH]c(N)n1;CFOPIEGHFKZGMY-UHFFFAOYSA-N;113.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190263;MM190263;CCCN1C=NC(C)C1;SEMSNSSPXJNBBK-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190264;MM190264;CCCN1CC(C)C=N1;JZOZLMYOXCWPLA-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190265;MM190265;CN(N)C(=O)CC=NN;DCMGGSPJPWPUAF-UHFFFAOYSA-N;130.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190266;MM190266;C=CCC1C=CC(C)C1;PDXGQBMGIWQKPB-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190267;MM190267;C=C(C=NN)C(O)CO;LDEYNDBABUINBT-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190268;MM190268;C=CCC1C=CC(F)C1;DVLIJQDIOHHLRJ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190269;MM190269;N#CCC1C=CC(F)C1;SQQCCAGPKJNJTI-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190270;MM190270;N=CNC1C=CC(O)C1;IJHMQWCHCRCLJE-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190271;MM190271;CC1C=CC(CC#N)O1;YRCLOXJDFGPEKP-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190272;MM190272;Cc1nc(=O)n(N)n1O;OTWLUQPWBUMORA-UHFFFAOYSA-N;130.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190273;MM190273;C=CCN1C=NC(C)C1;SDIDMDRTNGRILU-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190274;MM190274;CC1CN(NC=N)C=N1;ZFWAVSMUQPJOFN-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190275;MM190275;C=CCN1CC(C)C=N1;VREBPDYJYQRIJA-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190276;MM190276;Cc1c(N)oc(=N)n1O;PEVVIMPRIVSSFG-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190277;MM190277;Cc1coc(=NN)n1O;RODZAEVOAGTVKA-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190278;MM190278;NN=C(C#CCO)CO;HCGBAWKMLLQZKN-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190279;MM190279;Nc1cnc(CO)nc1;GARSQUKBOPVGKB-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190280;MM190280;C#CCC1C=CC(C)N1;JOTONAPFWYOIOT-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190281;MM190281;C#CCC1C=CC(C)O1;YFVKGVKUIRLRRG-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190282;MM190282;N#CC1NC1C(O)CO;JIGZOUKMGIQLGL-UHFFFAOYSA-N;128.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190283;MM190283;C#CCN1CC(C)C=N1;VOCVRCQYNIJQBL-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190284;MM190284;O=CNCC#CC1CN1;QEXVKZWAGSLJFP-UHFFFAOYSA-N;124.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190285;MM190285;CON=CC(O)C=C(C)F;PNJNAFQTHYJREC-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190286;MM190286;CCCC1C=CC(=O)C1;DUERFTHJYDBIMZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190287;MM190287;C=C1C=CC(NCC)C1;QQJOLJSLDWUUPB-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190288;MM190288;C=C1C=CC(OCC)C1;JQKIWCTXXAEMEN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190289;MM190289;CCCC1C=CC(=N)N1;XQMIAFODJFRDBN-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190290;MM190290;N=C1C=CC(CCN)N1;SCVSRQJAVSZWFT-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190291;MM190291;NCCC1C=CC(=O)N1;MNPAXSXDKAGKJX-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190292;MM190292;C=C1C=CC(CCC)O1;XDKDGPSTZDCRPC-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190293;MM190293;CCCn1ccc(O)c1;SVFVWZWUHZRKKU-UHFFFAOYSA-N;125.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190294;MM190294;CCCN1C=NC(=O)C1;PWCBDKAVSUKPNP-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190295;MM190295;C=C1C=NN(CCC)C1;NYANHDPUVGSHAX-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190296;MM190296;CNc1nc(=O)n(O)[nH]1;FBRUXIFSTSVUPL-UHFFFAOYSA-N;130.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190297;MM190297;CCCn1ccc(N)n1;LONOODCVABUHFO-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190298;MM190298;Nn1c(O)coc1=O;WDMAKLHTARBBAT-UHFFFAOYSA-N;116.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190299;MM190299;CCCn1ncc(=O)o1;VVRCNOLVJYIHKM-UHFFFAOYSA-N;128.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190300;MM190300;NCCn1ncc(=O)o1;MNONCVYIXRWQNZ-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190301;MM190301;O=c1cnn(CCO)o1;TXGHDXVPADBRAZ-UHFFFAOYSA-N;130.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190302;MM190302;O=c1cnn(CCF)o1;MFUYELUGBWZCIH-UHFFFAOYSA-N;132.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190303;MM190303;C=CCC1C=CC(=C)C1;WRBQCJLAJKBFQB-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190304;MM190304;C=C1C=CC(CC#N)C1;KMVFUGJHUCAQMS-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190305;MM190305;C=CCC1C=CC(=O)C1;GDBGGEQLQFKABL-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190306;MM190306;N#CCC1C=CC(=O)C1;TVDQIVBAOMGEDB-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190307;MM190307;C=C1C=CC(NC=N)C1;PGTDBFUZZSUIPU-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190308;MM190308;N=CNC1C=CC(=O)C1;QORRTMFXWKJMAV-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190309;MM190309;C=NNC1C=CC(=C)C1;ULUVWYRULALDJV-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190310;MM190310;C=COC1C=CC(=C)C1;ROMPRQABPVLRHK-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190311;MM190311;N#CCC1C=CC(=N)N1;AGJLVFPQWWGYRJ-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190312;MM190312;C=CCC1C=CC(=O)N1;SVGJTTAZNVNRPD-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190313;MM190313;N#CCC1C=CC(=O)N1;OXUQPEKMGGCKQF-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190314;MM190314;C=C1C=CC(CC#N)O1;LGZRQHKGXDQCMR-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190315;MM190315;N#CCC1C=CC(=O)O1;ROHKTAREPRQHFW-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190316;MM190316;C=COC1C=CC(=C)O1;PJIIGASAPDAKTI-UHFFFAOYSA-N;124.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190317;MM190317;C=CCn1ccc(O)c1;BYBGJKNGJLHXNS-UHFFFAOYSA-N;123.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190318;MM190318;N#CCn1ccc(O)c1;CKQQICWACHWQNM-UHFFFAOYSA-N;122.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190319;MM190319;C#CC(O)CC1(C)CN1C;NAXKXQLEUMMTDB-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190320;MM190320;CN(C)C(C#N)(CO)CO;OJJJJJCKNRSIFG-UHFFFAOYSA-N;144.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190321;MM190321;C=CCN1C=NC(=O)C1;MBHYJYZIVOXDMA-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190322;MM190322;N#CCN1C=NC(=O)C1;AINZYUPEAWXGMP-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190323;MM190323;N=CNN1C=NC(=N)C1;RIHVGSQIFQNHLD-UHFFFAOYSA-N;125.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190324;MM190324;N=CNN1C=NC(=O)C1;BMEWBXKPRDFXPT-UHFFFAOYSA-N;126.12;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190325;MM190325;C=CCN1CC(=C)C=N1;GJBZAYARKXQZHD-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190326;MM190326;C=C1C=NN(CC#N)C1;CCDGGOHQXGLLHC-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190327;MM190327;CC=CC(=N)NC(=O)C#N;VIUJKSGSWKAOOJ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190328;MM190328;Nc1nn(O)c(N)c1O;ARNSCBIHLVRMIE-UHFFFAOYSA-N;130.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190329;MM190329;C=CCn1ccc(N)n1;FSNPHGVOUBOZTE-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190330;MM190330;CNC(=O)C#CC(=N)NO;KWHKGLYAZHOERJ-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190331;MM190331;C=CC(=N)NC(=O)C#N;FCZNHWNOPZDGPD-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190332;MM190332;CNN=c1nc(O)n(N)o1;WKLXVMJKTLAFHN-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190333;MM190333;CC1(C#N)NC1C(O)CO;ALMVQICVEVEWEZ-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190334;MM190334;N#CCn1ncc(N)n1;JBFAJJYQCQMKIY-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190335;MM190335;Cc1c(O)c(N)nn1C;ZDLDSNIYMUSNBT-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190336;MM190336;COc1nc(=N)o[nH]1;ONQBEORAJCFDLJ-UHFFFAOYSA-N;115.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190337;MM190337;C=CCn1ncc(=O)o1;CZCCODNOTFJTBF-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190338;MM190338;O=CCn1ncc(=O)o1;FISUJJAXGRZWCW-UHFFFAOYSA-N;128.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190339;MM190339;N#CCn1ncc(=O)o1;CCWKSUIXJSKJOG-UHFFFAOYSA-N;125.09;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190340;MM190340;C#CCC1C=CC(=C)C1;QESBTFNKKLLVNI-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190341;MM190341;C#CCC1C=CC(=N)N1;ONRYBAMCKUWNMN-UHFFFAOYSA-N;120.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190342;MM190342;C#CCC1C=CC(=O)N1;CDTUHNDOSPYBND-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190343;MM190343;C#CCC1C=CC(=C)O1;FAYXGCPYEHDTAK-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190344;MM190344;C#CCn1ccc(O)c1;KCPFFNRVADNVDO-UHFFFAOYSA-N;121.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190345;MM190345;C#CC1(C)NC1C(O)CO;IMNKNPLGUODCPM-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190346;MM190346;C#CCN1C=NC(=O)C1;LDJSUBRBKNYRGM-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190347;MM190347;C#CCN1CC(=C)C=N1;HUDUOSQCPDBVTA-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190348;MM190348;CCc1[nH]nc(NC)c1O;DUWFJURRGNEJHO-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190349;MM190349;C#CCn1ccc(N)n1;WKYCELULSVFZPL-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190350;MM190350;C#CCc1nc(=NC)o[nH]1;ATDVENWZCZULPX-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190351;MM190351;CNN(C=O)C=NC(N)=O;PIIXNBZEWAFBQM-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190352;MM190352;Cn1oc(=NC=N)nc1O;GGAJDRWWOWEQSM-UHFFFAOYSA-N;142.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190353;MM190353;C#CCn1ncc(=O)o1;KOVXBWPMWMLEJO-UHFFFAOYSA-N;124.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190354;MM190354;C#CCn1nnc(=N)o1;ZCVPULVAJLTVGP-UHFFFAOYSA-N;124.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190355;MM190355;C#CCn1nnc(=O)o1;MEQYUZSIZLIMSA-UHFFFAOYSA-N;125.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190356;MM190356;CC=CC1C=CC(C)C1;KKSUQKHYKMZPQW-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190357;MM190357;CC=CC1C=CC(N)C1;SUQCHWIJTDIRSR-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190358;MM190358;N=CN(O)C(=N)OCCO;OXLHVIWVGYNKIX-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190359;MM190359;CC=CC1C=CC(F)C1;PIPKCIOFHRLVQS-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190360;MM190360;CC=CC1C=CC(C)N1;QGAYGSPRWNHECJ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190361;MM190361;CC=CC1C=CC(C)O1;BJVSJRZODCHFFY-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190362;MM190362;CC=CC1C=NN(C)C1;PEYPAXJYHJKEMP-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190363;MM190363;CC=CC1CN(C)C=N1;NVOSUOKCQGPCKW-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190364;MM190364;CN=CN1C=CC(C)C1;SKUXEZPUTFRDEU-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190365;MM190365;CN=CN1C=CC(N)C1;USVDDWYJACLVEQ-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190366;MM190366;CN=CN1C=CC(O)C1;RCUZOSPUTGDBAZ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190367;MM190367;CN=CN1C=CC(F)C1;SSSQNSCGAZLXPA-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190368;MM190368;CC=CN1C=NC(C)C1;HORFTBFETLSPDD-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190369;MM190369;CC=NN1C=NC(C)C1;CMRNGCJXYXLBBM-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190370;MM190370;CN=CN1CC(C)C=N1;FCNATFFCOXKRKQ-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190371;MM190371;C=C1C=CC(C=CC)C1;FKSOWYCGGRDVFD-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190372;MM190372;CC=CC1C=CC(=O)C1;DAHDDZSEWFDGND-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190373;MM190373;C=C1C=CC(C=NN)C1;OEMDVYNGAANWDD-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190374;MM190374;Cc1c(F)[nH]c(=O)oc1=O;ANZABTWASQTDGF-UHFFFAOYSA-N;145.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190375;MM190375;O=Cc1nnn(O)c(=O)n1;MPHLVVQOWYHHJJ-UHFFFAOYSA-N;142.07;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190376;MM190376;C=C1C=CN(C=NC)C1;YLQOESKLLIBWIT-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190377;MM190377;CC#CCC(O)C(C)=NN;PQELALMVNNYMCV-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190378;MM190378;CC=CN1C=NC(=O)C1;SPIVJBNLIYEERC-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190379;MM190379;COC(=N)N(O)C=NC=O;FCWPEQQCBVUTLH-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190380;MM190380;CN=CN1C=NC(=O)C1;RINCJOYTFRPWSO-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190381;MM190381;CCNC(C#N)C(=O)CO;VZIDQPGODDRNMS-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190382;MM190382;CC=NN1C=NC(=O)C1;RVFFSKUXHQORLB-UHFFFAOYSA-N;125.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190383;MM190383;CC=Cn1ccc(N)n1;KRQZSBXOBQJWGT-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190384;MM190384;O=c1oc(F)nn1O;FURHVWGVBVBSAM-UHFFFAOYSA-N;120.04;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190385;MM190385;CC=Nn1ccc(N)n1;BOBBTWOYDUKFBW-UHFFFAOYSA-N;124.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190386;MM190386;CCC(O)C(=NOC)NN;CQRIKWDCSZXCMV-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190387;MM190387;C=Cc1nnc(=O)n(O)n1;BWIGPLILIYNGDY-UHFFFAOYSA-N;140.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190388;MM190388;CC=Cn1ncc(=O)o1;KQHGMBRPIYKNIH-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190389;MM190389;O=c1cnn(C=CF)o1;CQDIOOZHNMGXMD-UHFFFAOYSA-N;130.08;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190390;MM190390;CN=Cn1ncc(=O)o1;BGZZQDHKRUEWLD-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190391;MM190391;CNN=C(C#CCO)CO;UCTNSRPWOSZJHY-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190392;MM190392;O=c1cnn(C=NO)o1;VEAXFNAIKCOABH-UHFFFAOYSA-N;129.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190393;MM190393;CC#CC1C=CC(C)C1;PUVHVQLQNVYPEE-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190394;MM190394;CC#CC1C=CC(N)C1;LKGJEOBCGUXANZ-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190395;MM190395;Cn1c(=O)n(N)c(=N)n1O;IGFSJXSUANWXCX-UHFFFAOYSA-N;145.12;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190396;MM190396;CC#CC1C=CC(F)C1;YXRSNQMAOKQZQK-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190397;MM190397;CC#CC1C=CC(C)N1;XVHYZGPXJYHUCT-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190398;MM190398;CC#CC1C=CC(C)O1;YOVARQHHTYJJDE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190399;MM190399;CC#CC1C=NN(C)C1;JICQOLBAWDCWIM-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190400;MM190400;N=c1c(F)c(F)n(N)n1O;BTSYWVTUNSCIOJ-UHFFFAOYSA-N;150.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190401;MM190401;C=C1C=CC(C#CC)C1;IZENPGHIEAJZFN-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190402;MM190402;CC#CC1C=CC(=O)C1;KTBOSDSPHNZMFI-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190403;MM190403;CC#CC1C=CC(=N)N1;KUMBDLAKWDNMAF-UHFFFAOYSA-N;120.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190404;MM190404;Cc1c(F)n(O)c(=O)n1O;QOIFRXQFUJSRDG-UHFFFAOYSA-N;148.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190405;MM190405;C=C1C=CC(C#CC)O1;MGWYPABAJZHNDB-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190406;MM190406;CN=c1[nH]c(=O)nc(F)o1;AYIPMTFHQJNFHE-UHFFFAOYSA-N;145.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190407;MM190407;CCC=C1C=CC(C)C1;LBRSDXJAOMFNHP-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190408;MM190408;CC1C=CC(=CCN)C1;SNWVHSUGWJHPTC-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190409;MM190409;CC1C=CC(=CCO)C1;OSTNQLYIMVTVLH-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190410;MM190410;CCC=C1C=CC(N)C1;KYQAGTXVRBUAEL-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190411;MM190411;NCC=C1C=CC(N)C1;ZUSIANGORBCQRD-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190412;MM190412;NC1C=CC(=CCO)C1;CSHOQNAYJMEJQP-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190413;MM190413;N=c1cnc(=O)n(N)n1O;UOYINZRBJZCTFS-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190414;MM190414;NCC=C1C=CC(O)C1;MZUZXLURPGBXHE-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190415;MM190415;OCC=C1C=CC(O)C1;GLOYHIODQJVEMF-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190416;MM190416;CCC=C1C=CC(F)C1;OAJONVMRYCEMPX-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190417;MM190417;NCC=C1C=CC(F)C1;BAEDIJHHPPFJLT-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190418;MM190418;OCC=C1C=CC(F)C1;IQXJJFRRNHVVJZ-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190419;MM190419;COC=C1C=CC(N)C1;IZAKNSKZPLBUSG-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190420;MM190420;CCN=C1C=CC(C)N1;XPRXYICCOKMRHR-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190421;MM190421;CCC=C1C=CC(C)O1;CMDVHYVWELQOEK-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190422;MM190422;CC1C=CC(=CCN)O1;WOGXWXFEAPWIOG-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190423;MM190423;CCC=C1C=NN(C)C1;WNFSMVCNERQKCA-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190424;MM190424;CN1CC(=CCN)C=N1;HEFKVLYNJXPQAJ-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190425;MM190425;CCc1nc(=O)n(N)n1O;FJWLIMRTROVWJP-UHFFFAOYSA-N;144.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190426;MM190426;CN=CC1=CNN(C)C1;UWUPLNHELUKZKT-UHFFFAOYSA-N;125.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190427;MM190427;COC=C1C=NN(C)C1;WBWYIOLSHMVFCJ-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190428;MM190428;Cc1oc(=NN)n(O)c1C;BZJUNVVCTJNNMQ-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190429;MM190429;CN=c1oc(N)c(C)n1O;VIPZQOWDKIDFCV-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190430;MM190430;C#Cc1oc(=N)n(O)c1C;MUDXURDTAWWVLY-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190431;MM190431;CCNc1ccn(C)n1;LHQUBLDNLWZSHV-UHFFFAOYSA-N;125.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190432;MM190432;CCNc1ccn(N)n1;QKTJEFGXEKLOAR-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190433;MM190433;CCNc1ccn(O)n1;XCXASLITBVNXHW-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190434;MM190434;Cc1nc(C#CC#N)c[nH]1;PFEXMTQWDDIJFW-UHFFFAOYSA-N;131.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190435;MM190435;COn1oc(CO)nc1=N;HMQPGURQTABPJU-UHFFFAOYSA-N;145.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190436;MM190436;C=Nn1oc(CO)nc1=N;HLLGVLJLURPPOZ-UHFFFAOYSA-N;142.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190437;MM190437;Cc1c(NO)n[nH]c1C=O;LOTOQLNSXSZDMW-UHFFFAOYSA-N;141.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190438;MM190438;CON=c1ccn(C)o1;RYCVECWVGOKOMQ-UHFFFAOYSA-N;128.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190439;MM190439;CON=c1ccn(N)o1;SLAOBNTYMGAXHT-UHFFFAOYSA-N;129.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190440;MM190440;C#CC1C(C(O)CO)N1C;HSTWEWJEKVMNMW-UHFFFAOYSA-N;141.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190441;MM190441;CCN=c1ncn(C)o1;NWVNLJOUQGQWHP-UHFFFAOYSA-N;127.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190442;MM190442;CCN=c1ncn(N)o1;UHKHGJWACFQPQY-UHFFFAOYSA-N;128.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190443;MM190443;CCCC1NC1C(F)C=O;HOGOHVKUQXLQPH-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190444;MM190444;CNc1cnc(CO)nc1;IJIJHWYCTOFLOR-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190445;MM190445;N=c1nnncn1O;ONDZIHBWCARFNO-UHFFFAOYSA-N;113.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190446;MM190446;N=CN(O)C(=N)OC=O;PTBLWZYJSTUNJK-UHFFFAOYSA-N;131.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190447;MM190447;CON=c1ncn(C)o1;HLGWPBOHVMANRU-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190448;MM190448;CON=c1ncn(N)o1;BLWRGSSMIPTUIT-UHFFFAOYSA-N;130.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190449;MM190449;CN=CN(O)C(=N)OC;VTRAEVZKOODWLE-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190450;MM190450;C=CC=C1C=CC(C)C1;JFKQNVBDNWIPLT-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190451;MM190451;CC1C=CC(=CC=O)C1;DLLRGHAEIILTFI-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190452;MM190452;CC1C=CC(=CC#N)C1;PBPZENANLJGPFW-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190453;MM190453;C=CC=C1C=CC(N)C1;GAIIXPYLESXFEE-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190454;MM190454;CC1=CC(C)N(N)C1=O;RMCVMURWQNEETE-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190455;MM190455;C#CC(O)CC1CN1C;IOLCRBJAPPOBSN-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190456;MM190456;N#CC=C1C=CC(O)C1;CKUWPMTYHDPSKB-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190457;MM190457;C=CC=C1C=CC(F)C1;BINXIRIJLWAPHD-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190458;MM190458;O=CC=C1C=CC(F)C1;ZKMYMQDBPWWCAM-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190459;MM190459;N#CC=C1C=CC(F)C1;VNCFVPGWCRJVTO-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190460;MM190460;C=C1OC(=NN)CC1O;AWXVKXFQLSEKCT-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190461;MM190461;C=NN=C1C=CC(N)C1;JEZSSDZNEDFWAF-UHFFFAOYSA-N;123.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190462;MM190462;C=NN=C1C=CC(F)C1;KKSWIGTTXXRDTI-UHFFFAOYSA-N;126.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190463;MM190463;Cc1ccc(C=CO)[nH]1;YVPJSKHKSKNVBF-UHFFFAOYSA-N;123.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190464;MM190464;CC1C=CC(NC=N)=N1;VQVUHJCRORPMJS-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190465;MM190465;Cn1nc(NO)cc1F;VWAFDXHTPPZNOB-UHFFFAOYSA-N;131.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190466;MM190466;C=CC=C1C=CC(C)O1;PTBRSGVBZQOYJB-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190467;MM190467;C=NN=C1C=CC(C)O1;AOEYAWUXXJOJPG-UHFFFAOYSA-N;124.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190468;MM190468;N=c1nc(CO)on1N;KYJCBHOKDDRQTR-UHFFFAOYSA-N;130.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190469;MM190469;C=CC=C1C=NN(C)C1;RXKUMZITRIAVMS-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190470;MM190470;Cc1nc(NC=N)n[nH]1;YLWUELCGJYDECJ-UHFFFAOYSA-N;125.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190471;MM190471;N=CN1CC(=NN)C=N1;ZIRVEODNSAPLMC-UHFFFAOYSA-N;125.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190472;MM190472;OCC(O)C1NC1CO;BFSHGVSMBDKHJW-UHFFFAOYSA-N;133.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190473;MM190473;CN=c1nnncn1O;BGKAUNXCRQBZQS-UHFFFAOYSA-N;127.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190474;MM190474;CC(O)C(O)CN(N)C=O;ZDJXXIHHRYGJPJ-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190475;MM190475;C=NN(C)CC(O)C(C)O;IKDNDCSBACHTHY-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190476;MM190476;C#CC(O)CC(C)NN=C;HEXDIESHOZQLGW-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190477;MM190477;Cn1ccc(NC=N)n1;XQIWKXOYIXGFHU-UHFFFAOYSA-N;124.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190478;MM190478;N=CNc1ccn(N)n1;RMNLHOCPLJLPLO-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190479;MM190479;NC(=O)ON=CCC=CF;WJDIAHZSKVEABR-UHFFFAOYSA-N;146.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190480;MM190480;C=NOC(=O)NCCCO;IABOXXZHRLIMGA-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190481;MM190481;CCOC(=N)N(O)C=NC;CCJODBGHNLYTST-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190482;MM190482;CNN=CCC(=O)C(C)O;CSRQKQHWWNLLSE-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190483;MM190483;Cn1ncc(NC=N)n1;KKJDVLSSHQIERM-UHFFFAOYSA-N;125.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190484;MM190484;CC1(C=O)NC1C(O)CO;BYNCYKOONVFIGU-UHFFFAOYSA-N;145.16;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190485;MM190485;C=NN=c1ccn(C)o1;JTSJMWBZZOCSDZ-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190486;MM190486;C=NN=c1ccn(N)o1;CNYFYMDGPWQHPH-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190487;MM190487;C=NN=c1ccn(O)o1;UTESJYNFJUDWFV-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190488;MM190488;Cn1cnc(=NC=N)o1;SYVGKSNQOCDBJF-UHFFFAOYSA-N;126.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190489;MM190489;Cn1cnc(=NC=O)o1;DMSYNCGUXOWEPW-UHFFFAOYSA-N;127.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190490;MM190490;N=CN=c1ncn(N)o1;SCOXMOGNWIJMLG-UHFFFAOYSA-N;127.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190491;MM190491;Nn1cnc(=NC=O)o1;NMNFSSYQRSIQES-UHFFFAOYSA-N;128.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190492;MM190492;C=NN(C=N)CC(O)CF;FWLZDOANKTUODW-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190493;MM190493;C=NN(C=O)CC(O)CF;XZYCSUJBZHTZMF-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190494;MM190494;C=NN=c1ncn(C)o1;VRCZVWILLLIXTL-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190495;MM190495;C=NN=c1ncn(N)o1;FDZNPUGVIDMXAX-UHFFFAOYSA-N;127.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190496;MM190496;C=NN(C)C(=O)NC=CC;VDFDULCPHKTXGK-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190497;MM190497;C#CC=C1C=CC(C)C1;VFAWVSMMICSKEQ-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190498;MM190498;C#CC=C1C=CC(N)C1;IHXWNGPTAJGXIP-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190499;MM190499;OCC=NNCC(O)CF;HZFFFXJUUCANLK-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190500;MM190500;C#CC=C1C=CC(F)C1;DUYRWAGFYMYSJB-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190501;MM190501;C#CC=C1C=CC(C)O1;LRIPZMKWJNDUBY-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190502;MM190502;C#CC=C1C=NN(C)C1;UXHJSUZZUYWXLG-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190503;MM190503;C=C1C=CC(=CCC)C1;QOTCMFFQPIPSHQ-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190504;MM190504;C=C1C=CC(=CCN)C1;VGZFLWJFTMEYSS-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190505;MM190505;C=C1C=CC(=CCO)C1;BZDUMDOTRAXAHB-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190506;MM190506;CCC=C1C=CC(=O)C1;SHHOEWDKZHWWTE-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190507;MM190507;O=C1C=CC(=CCO)C1;WNKDEQRYRYTGIP-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190508;MM190508;C=C1C=CC(=COC)C1;YYPOMZPFHMHNDW-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190509;MM190509;COC=C1C=CC(=O)C1;RPCNONKKZGKKRP-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190510;MM190510;CCC=C1C=CC(=N)N1;YXBGXVILAFFPPA-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190511;MM190511;N=C1C=CC(=CCN)N1;JTVFGJQTORMCRJ-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190512;MM190512;N=C1C=CC(=CCO)N1;WRLUTVLHBFDQOA-UHFFFAOYSA-N;124.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190513;MM190513;CCC=C1C=CC(=O)N1;RDACIAUGJQVSKS-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190514;MM190514;NCC=C1C=CC(=O)N1;FLGOFAOUIAKSDE-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190515;MM190515;C=C1C=CC(=NCC)N1;KLMGCSYVAIPDNA-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190516;MM190516;CCN=C1C=CC(=N)N1;YISNNBXBSGOOLH-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190517;MM190517;CCN=C1C=CC(=O)N1;LZLDXKBKYPFEOH-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190518;MM190518;CC=Cc1c[nH]c(=N)[nH]1;IYQWDYPJIOPTNM-UHFFFAOYSA-N;123.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190519;MM190519;N=c1[nH]cc(C=CN)[nH]1;LFBKOSLUXQUFOP-UHFFFAOYSA-N;124.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190520;MM190520;CC=Cc1c[nH]c(=O)[nH]1;VCCIBFMRTOIHGP-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190521;MM190521;CN=C(C(C)O)N(O)C=N;VLZAXZHEFVPELS-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190522;MM190522;CNC=C1C=NC(=N)N1;DNIRVUMZGINHDB-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190523;MM190523;CNC=C1C=NC(=O)N1;MXMMLGCZHMKWHK-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190524;MM190524;CCN=C1C=NC(=O)N1;PJVDBLGXUSEFMY-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190525;MM190525;C=C1C=NC(=NCC)N1;LLSCWJJYHKJADD-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190526;MM190526;CCN=C1N=CC(=O)N1;MLYGFJYOVKYWLW-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190527;MM190527;C=c1ccc(=CCC)o1;KNXPKEVPXSAOKE-UHFFFAOYSA-N;122.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190528;MM190528;C=c1ccc(=CCN)o1;PJVCXXQEQHNXMU-UHFFFAOYSA-N;123.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190529;MM190529;CCC=C1C=CC(=O)O1;KPXZIOCGUHUFDR-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190530;MM190530;NCC=C1C=CC(=O)O1;CMUASFNMPBNMHD-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190531;MM190531;C=c1ccc(=COC)o1;IGDIEIUQIFBZOL-UHFFFAOYSA-N;124.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190532;MM190532;C=CC=C1C=CC(=C)C1;ZYJMIWGZPFCEJR-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190533;MM190533;C=C1C=CC(=CC=O)C1;KDIFWSMPZSZPPG-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190534;MM190534;C=C1C=CC(=CC#N)C1;UMLHPJYUNHLIEQ-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190535;MM190535;C=CC=C1C=CC(=O)C1;WIQTVTWRMYNNFK-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190536;MM190536;O=CC=C1C=CC(=O)C1;PKIQYCLHIFBQMY-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190537;MM190537;N#CC=C1C=CC(=O)C1;IQPYFTPTGSGUEZ-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190538;MM190538;C=NN=C1C=CC(=C)C1;IGMMVVZFNGKEJR-UHFFFAOYSA-N;120.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190539;MM190539;COC(OC=NN)C(C)O;JPYNOZZJNNNTCZ-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190540;MM190540;C=CC=C1C=CC(=N)N1;PKMGGVQIAZDYNN-UHFFFAOYSA-N;120.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190541;MM190541;N=C1C=CC(=CC=O)N1;RYYICIZIKZMCJU-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190542;MM190542;N#CC=C1C=CC(=N)N1;OPSLQHJIRINWCC-UHFFFAOYSA-N;119.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190543;MM190543;C=CC=C1C=CC(=O)N1;UEWYMCSDTCWERM-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190544;MM190544;O=CC=C1C=CC(=O)N1;RNHSCDHXYPKJTL-UHFFFAOYSA-N;123.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190545;MM190545;N#CC=C1C=CC(=O)N1;PGKFWKMUORJLNP-UHFFFAOYSA-N;120.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190546;MM190546;C=C1C=CC(NC=N)=N1;LVKPHVVWJIMLOY-UHFFFAOYSA-N;121.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190547;MM190547;C=C1C=CC(NC=O)=N1;MPNUADIQOLZTJF-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190548;MM190548;N=CN=C1C=CC(=O)N1;MSEKZWSUUNUIEC-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190549;MM190549;Cn1n(N)c(=O)c(=N)n1O;QLGGEECUKWKCQM-UHFFFAOYSA-N;145.12;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190550;MM190550;C=NN=C1C=CC(=O)N1;NHJCMTBHQRIDIU-UHFFFAOYSA-N;123.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190551;MM190551;C=CC=C1C=NC(=N)N1;LQEOHVWGLHFXNE-UHFFFAOYSA-N;121.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190552;MM190552;N=C1N=CC(=CC=O)N1;NIZUYQSVAIMULA-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190553;MM190553;N#CC=C1C=NC(=N)N1;UIDCTCSCMWGZGG-UHFFFAOYSA-N;120.12;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190554;MM190554;C=CC=C1C=NC(=O)N1;XQDTUBAQODTAGX-UHFFFAOYSA-N;122.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190555;MM190555;O=CC=C1C=NC(=O)N1;AKIIGBVKZALHLZ-UHFFFAOYSA-N;124.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190556;MM190556;N#CC=C1C=NC(=O)N1;GYVBLPAKDWTNCC-UHFFFAOYSA-N;121.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190557;MM190557;N=CN=C1C=NC(=O)N1;PZKSAYFZUMWNKS-UHFFFAOYSA-N;124.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190558;MM190558;O=CN=C1C=NC(=O)N1;KHMALECAAWLDSQ-UHFFFAOYSA-N;125.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190559;MM190559;C#CC(O)CC1C(C)N1C;MKDBQALUPSMCQV-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190560;MM190560;C=NN=C1C=NC(=O)N1;YJXSZWQISVDIBD-UHFFFAOYSA-N;124.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190561;MM190561;C=Cc1nc(=O)n(N)n1O;CTMNQFSATFLLTJ-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190562;MM190562;Cc1c(C=O)oc(=N)n1O;WWJARYRNQAOPIR-UHFFFAOYSA-N;142.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190563;MM190563;O=CC=C1N=CC(=O)N1;LSAPQWSKKOYRAX-UHFFFAOYSA-N;124.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190564;MM190564;N#CC=C1N=CC(=O)N1;LLBCQCQVURPFMA-UHFFFAOYSA-N;121.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190565;MM190565;CN=Nc1c[nH]c(CF)c1;FRGJCDJFZRGTTO-UHFFFAOYSA-N;141.15;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190566;MM190566;N=CN=C1N=CC(=O)N1;GTRXKHZLVLSXNC-UHFFFAOYSA-N;124.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190567;MM190567;C=c1oc(=C)n(O)c1=NN;DKYZDEKYZPAQCT-UHFFFAOYSA-N;141.13;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190568;MM190568;C#CC(O)CC1CN1N=C;WWUGDRPSHCBUNH-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190569;MM190569;C=NN=C1N=CC(=O)N1;MJMRSRWTVBDOSV-UHFFFAOYSA-N;124.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190570;MM190570;C=CC=c1ccc(=C)o1;QXTJOEIJESYHIA-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190571;MM190571;C=c1ccc(=CC=O)o1;WMXRBYLQRIRBPI-UHFFFAOYSA-N;122.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190572;MM190572;C=c1ccc(=CC#N)o1;QLJOPCHKPDRRDG-UHFFFAOYSA-N;119.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190573;MM190573;C=CC=C1C=CC(=O)O1;XBROWDPDSRWTOE-UHFFFAOYSA-N;122.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190574;MM190574;O=CC=C1C=CC(=O)O1;BSDKYJIDKYCNPI-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190575;MM190575;N#CC=C1C=CC(=O)O1;IBZDFMSXVBXUHM-UHFFFAOYSA-N;121.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190576;MM190576;C=c1cnc(=CC=O)o1;UCKXUYPUAVZCEV-UHFFFAOYSA-N;123.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190577;MM190577;C=c1cnc(=CC#N)o1;FVKJXILKUWXDBM-UHFFFAOYSA-N;120.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190578;MM190578;N#CC=C1N=CC(=O)O1;VUEWZFLQDUJXQG-UHFFFAOYSA-N;122.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190579;MM190579;C#CC=C1C=CC(=C)C1;CEPIWKXLUGSURN-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190580;MM190580;C#CC=C1C=CC(=O)C1;LOKLKNKIDPZYHI-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190581;MM190581;C#CC=C1C=CC(=N)N1;ITDRSLWPSCQFQZ-UHFFFAOYSA-N;118.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190582;MM190582;C#CC=C1C=CC(=O)N1;WFTLHOKWOOSJGY-UHFFFAOYSA-N;119.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190583;MM190583;C#CC=C1C=NC(=N)N1;DVANWFLOXLJYCK-UHFFFAOYSA-N;119.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190584;MM190584;C#CC=C1C=NC(=O)N1;HVZQOJIBVKGIAC-UHFFFAOYSA-N;120.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190585;MM190585;C#CC=c1ccc(=C)o1;VKERITCQPNHEOM-UHFFFAOYSA-N;118.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190586;MM190586;C#CC=C1C=CC(=O)O1;CWTCUJIAMCNDAB-UHFFFAOYSA-N;120.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190587;MM190587;CCCC1CC=C(C)C1;NNPVVSRSIHHJPZ-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190588;MM190588;CC1=CCC(CCN)C1;HGLCZQLXSXWMIB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190589;MM190589;CCCC1CC=C(F)C1;BHUYVWLELGJPGQ-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190590;MM190590;NCCC1CC=C(F)C1;GBXOPPGSKZNECS-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190591;MM190591;CNCC1CC=C(C)C1;KDERJXLVHXGQDN-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190592;MM190592;CCNC1CC=C(C)C1;RCNSVCALIVHXPT-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190593;MM190593;CCNC1CC=C(F)C1;OVQYEFADMBURHB-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190594;MM190594;CCCC1CC(C)=NN1;XIBTVLJVRMQPKY-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190595;MM190595;CC1=NNC(CCN)C1;CQRHRUWKMGHGOD-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190596;MM190596;CC1=COC(CCN)C1;CZBQSABKZKFGRJ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190597;MM190597;CCCC1CC(F)=CO1;UCTHDXKLKAOMDV-UHFFFAOYSA-N;130.16;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190598;MM190598;CCCC1CC(C)=NO1;UTIKKHBFUGVKLU-UHFFFAOYSA-N;127.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190599;MM190599;CC1=NOC(CCN)C1;GAXCXYKJWKGWBP-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190600;MM190600;CCCC1CN=C(C)N1;KAJNWOLKFRNGLQ-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190601;MM190601;CC1=NC(CCN)CN1;PZLRTDPWECBARE-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190602;MM190602;CCCC1CC=C(C)O1;JFNPQFRAXRYGMA-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190603;MM190603;CC1=CCC(CCN)O1;YVUQHZRVCTYYFP-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190604;MM190604;CCCC1OC=C(C)O1;IAZNCTCBYQIHCZ-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190605;MM190605;CCCC1ON=C(C)O1;BVFCYHOFRNKVEE-UHFFFAOYSA-N;129.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190606;MM190606;C=CCC1CC=C(C)C1;HOTMVBZXINWULG-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190607;MM190607;CC1=CCC(CC=O)C1;NAKUENDEJHKEOZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190608;MM190608;CC1=CCC(CC#N)C1;OCNCVIYASFMZCZ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190609;MM190609;C=CCC1CC=C(F)C1;SMEWWXKCRRPDOJ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190610;MM190610;CC1=CCC(NC=N)C1;YIOZGMZKWXCJLK-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190611;MM190611;C#CC(O)CC1NC1C#C;PZYBRKKISSDLJO-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190612;MM190612;C=NNC1CC=C(C)C1;FITKFOQFATUHRV-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190613;MM190613;C=COC1CC=C(C)C1;LPKJTCGRZBRKMR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190614;MM190614;C=CCC1CC(C)=NN1;VWAYBWKFHUTBGO-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190615;MM190615;CNn1oc(CO)nc1=N;BQXNAHOKVNQLQL-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190616;MM190616;N=Cn1oc(CO)nc1=N;VBBQOOIAXIWBOR-UHFFFAOYSA-N;142.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190617;MM190617;C=CCC1CC(C)=CO1;BUHRWEPHXAHLNX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190618;MM190618;CC1=COC(CC#N)C1;HAPKVYJUBMMTHZ-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190619;MM190619;C=CCC1CC(F)=CO1;GGPQJRWUWDFFII-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190620;MM190620;N#CCC1CC(F)=CO1;GWKSLDDNWCLBMV-UHFFFAOYSA-N;127.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190621;MM190621;C=COC1CC(F)=CO1;IMXRSHYZMQVGDQ-UHFFFAOYSA-N;130.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190622;MM190622;C=CCC1CC(C)=NO1;CHPKLIHTQRADTE-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190623;MM190623;C=CCC1CNC(C)=N1;OWLPTGWMBUIQFV-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190624;MM190624;C=CCC1CC=C(C)O1;UVWACFAGCIULDL-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190625;MM190625;CC1=CCC(CC#N)O1;SBYNYPZOCIRHTQ-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190626;MM190626;C=CCC1OC=C(C)O1;BYPJFMGMBPERBZ-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190627;MM190627;CC1=COC(CC#N)O1;ZFPBYHXCESMXMT-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190628;MM190628;C=CCN1CC=C(C)C1;APEJAYITKKMMSC-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190629;MM190629;CC1=CCN(CC#N)C1;GKYCEDLQTARTBS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190630;MM190630;CC1=CCN(NC=N)C1;KNHCFXIBYWTWES-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190631;MM190631;C#CCC1CC=C(C)C1;RDVUOWPJVURNDQ-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190632;MM190632;C#CCC1CC(C)=NN1;RWNICRKRZMJHLZ-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190633;MM190633;C#CCC1CC(C)=CO1;KKAHFTOPTKCGJM-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190634;MM190634;C#CCC1CC(F)=CO1;JOLQEXTVKLTHMI-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190635;MM190635;C#CCC1CC(C)=NO1;ZDIBTIRQNLRJIK-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190636;MM190636;C#CCC1CNC(C)=N1;CZBCLSJEBMSRHM-UHFFFAOYSA-N;122.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190637;MM190637;C#CCC1CC=C(C)O1;MREYFMCRSJMVHI-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190638;MM190638;C#CCC1OC=C(C)O1;QIXFRCBCMHTRSI-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190639;MM190639;C#CCN1CC=C(C)C1;HHNVJLNHIVCWHH-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190640;MM190640;C#CCN1CC=C(F)C1;CZXBKPVKFAYJPD-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190641;MM190641;CC=CC1CC=C(C)C1;KCCOKXVXNXWLKS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190642;MM190642;CC=CC1CC(C)=NN1;WCIAWTSDDWGHLP-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190643;MM190643;CC=CC1CC(C)=CO1;SVDQARJDTFMMFX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190644;MM190644;CC=CC1CN=C(C)N1;FQRPWSQUUJKKBZ-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190645;MM190645;CC=CC1OC=C(C)O1;PRVMIWSHYRNKCU-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190646;MM190646;CC=CC1ON=C(C)O1;FZQXAUAQWJDWOV-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190647;MM190647;CN=CN1CC=C(C)C1;NEKGEJZGZUHRSQ-UHFFFAOYSA-N;124.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190648;MM190648;CN=CN1CC=C(F)C1;GKUDZCRENMPJMK-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190649;MM190649;CC=NN1CC=C(C)C1;IPXJUMBQZICIGV-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190650;MM190650;CC=NN1CC=C(F)C1;XNDHVQLXEODKSK-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190651;MM190651;CC#CC1CC=C(C)C1;KSMOJLSMOJGEKR-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190652;MM190652;CC#CC1CC=C(F)C1;RFSIXWZQULSRFY-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190653;MM190653;Cn1oc(CO)nc1=NN;HASPNIVOTQJNIE-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190654;MM190654;CC#CC1CC(C)=CO1;FBBHYNUGJHFQTL-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190655;MM190655;CC#CC1CC(F)=CO1;FKAJFAIMVNQWOV-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190656;MM190656;CC#CC1CC(C)=NO1;DAPWMMZEEHAVRA-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190657;MM190657;CC#CC1CN=C(C)N1;NSBRAGRRBZNRHU-UHFFFAOYSA-N;122.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190658;MM190658;CC#CC1CC=C(C)O1;PGTVQCDUSBCFRB-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190659;MM190659;CC#CC1OC=C(C)O1;ISOZKSXNWCRVCN-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190660;MM190660;CCC=C1CC=C(C)C1;MDTIKJVYSMNSKC-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190661;MM190661;CC1=CCC(=CCN)C1;BVKSTLNUCVOAKY-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190662;MM190662;CC1=CCC(=CCO)C1;LMWUGOKFPFOTSY-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190663;MM190663;CCC=C1CC=C(F)C1;IMIMJZOCZYZZGZ-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190664;MM190664;NCC=C1CC=C(F)C1;NZEMXSFHAABSPR-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190665;MM190665;OCC=C1CC=C(F)C1;AZCXTXBFRMRLHJ-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190666;MM190666;COC=C1CC=C(F)C1;CYMBUEDZDAHCJW-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190667;MM190667;CNN=C1CC=C(C)C1;FOCLWKLLLYYIQN-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190668;MM190668;CCN=C1CC(C)=CN1;HVKQKKLWZUVVNR-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190669;MM190669;CN=c1nc(CO)on1N;XBQZGXBIGRIJDY-UHFFFAOYSA-N;144.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190670;MM190670;CCC=C1CC(C)=CO1;SZYAQLUYJGFVKC-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190671;MM190671;CC1=COC(=CCN)C1;XDBLOYKMZLYGOW-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190672;MM190672;CCN=C1CC=C(C)N1;NMUUTTCDSUAQCF-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190673;MM190673;CCC=C1CN=C(C)N1;BEAOBTJJQWPLQG-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190674;MM190674;CC1=NC(=CCN)CN1;YZQMDTFUHKKKQW-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190675;MM190675;CCN=c1[nH]cc(C)[nH]1;BCHJPFYPWNSBES-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190676;MM190676;CCN=c1[nH]cc(N)[nH]1;QOUGYHNABOWPDT-UHFFFAOYSA-N;126.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190677;MM190677;CCC=C1CC=C(C)O1;TWWOYIGPQARNIP-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190678;MM190678;CC1=CCC(=CCN)O1;NKWRYACSNFHVPE-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190679;MM190679;NN=c1nc(CO)on1N;GGHPSUCNOIINSX-UHFFFAOYSA-N;145.12;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190680;MM190680;CC#CC1NC1C(O)CO;ZKAWBJVYUOHXAS-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190681;MM190681;COn1oc(=O)[nH]c1=O;OXMNKEZXIQCSOE-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190682;MM190682;CNN=c1occ(F)o1;QUKIPWFCADCIIV-UHFFFAOYSA-N;132.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190683;MM190683;CON=c1occ(C)o1;JIVABUYNHXXIGW-UHFFFAOYSA-N;129.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190684;MM190684;CON=c1occ(N)o1;FXYAGZLLVQUQMP-UHFFFAOYSA-N;130.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190685;MM190685;CC=CN=C(C#N)NC=O;GREBMVXYKOYZFQ-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190686;MM190686;CON=c1occ(F)o1;WIUAIDKUWSTXIG-UHFFFAOYSA-N;133.08;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190687;MM190687;CN(C=NN)NC=O;FIEXKXPHRWDMCJ-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190688;MM190688;COC(=N)N(O)C=N;PKZXASMKYMQGFI-UHFFFAOYSA-N;117.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190689;MM190689;O=c1nnc(CO)nn1O;DUANJRYGDULMBR-UHFFFAOYSA-N;144.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190690;MM190690;CNN=c1onc(F)o1;KRNPXXYQRDKJHQ-UHFFFAOYSA-N;133.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190691;MM190691;CON=c1onc(C)o1;NGEHZDQZBAGZBB-UHFFFAOYSA-N;130.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190692;MM190692;CC1NC1C(F)C=O;RATACXPIMMUYQJ-UHFFFAOYSA-N;117.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190693;MM190693;CC#Cc1coc(F)c1O;JFOZPUUQEWKMKJ-UHFFFAOYSA-N;140.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190694;MM190694;CON=c1onc(F)o1;PWGATWGXPYNGRB-UHFFFAOYSA-N;134.07;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190695;MM190695;C=CC=C1CC=C(C)C1;RAQYVGFWWXKTPA-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190696;MM190696;CC1=CCC(=CC=O)C1;GHTXJOGWZLGXLO-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190697;MM190697;CC1=CCC(=CC#N)C1;DKTHJTUMBDUWOX-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190698;MM190698;C=CC=C1CC=C(F)C1;FRTGDVHAGQFKRW-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190699;MM190699;O=CC=C1CC=C(F)C1;XUVWRHBJBXUKFY-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190700;MM190700;N#CC=C1CC=C(F)C1;MUTZFLIUIGPJGN-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190701;MM190701;C=NN=C1CC=C(C)C1;NGQBECDEQYUPMB-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190702;MM190702;CNN(C)C(=O)C(N)=O;QZEBEIPTOIIGFV-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190703;MM190703;CC1=CN=C(NC=N)C1;DETYMLHZVKSSRK-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190704;MM190704;N=CNC1=NC=C(F)C1;WECZJRYUOSNPQL-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190705;MM190705;C=NNCC(O)C(C)O;BTNBAGXFNCDTHD-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190706;MM190706;C=NNC1=NC=C(F)C1;FOAPRPDIRGZYOO-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190707;MM190707;C#CC(O)CCNN=C;CEBSVZQJEHXLQV-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190708;MM190708;CC1=NN=C(NC=O)C1;LEXHSAAWXMVSQP-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190709;MM190709;CCOC(=N)N(O)C=N;LRKKXGAYMGOWMF-UHFFFAOYSA-N;131.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190710;MM190710;C=CC=C1CC(C)=CO1;ODDACBIGAATGLS-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190711;MM190711;C=CC=C1CC(F)=CO1;FALJLPTWJZHDEW-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190712;MM190712;C=NN=C1CC(C)=NO1;WIGZFLHTAOYRCE-UHFFFAOYSA-N;125.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190713;MM190713;CC1=CCC(NC=N)=N1;HVQHYMVLWNYILE-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190714;MM190714;Cc1oc(=N)n(O)c1C;PDCPTSQAVBEAHA-UHFFFAOYSA-N;128.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190715;MM190715;C=CC=C1CNC(C)=N1;DQGXMZZQHVIXSP-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190716;MM190716;N=c1oc(CO)nn1N;ICHKZHHIEZBXIO-UHFFFAOYSA-N;130.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190717;MM190717;Cc1c[nH]c(=NC=N)[nH]1;IMGZVLOGNIIBCU-UHFFFAOYSA-N;124.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190718;MM190718;N=CN=c1[nH]cc(N)[nH]1;GFWXYSXXCUJUKG-UHFFFAOYSA-N;125.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190719;MM190719;CC1=NC(=CC=O)NN1;RBQVTDQQJNSPHB-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190720;MM190720;CC1=NC(=CC#N)NN1;QXHQEOVLRJZMCU-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190721;MM190721;C=CC=C1CC=C(C)O1;OTEKDDBIHBQNEL-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190722;MM190722;C=NN=C1CC=C(C)O1;GYZYMDVPYIODOS-UHFFFAOYSA-N;124.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190723;MM190723;CN=c1occ(C)n1O;LSOTVOGLLDUMJX-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190724;MM190724;CCc1coc(=N)n1O;UKGYRGUVWFXUJM-UHFFFAOYSA-N;128.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190725;MM190725;C=NN=c1occ(C)o1;FLQHERQPUWGLHU-UHFFFAOYSA-N;126.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190726;MM190726;C=NN=c1occ(N)o1;ZECPPCCPSIQXJG-UHFFFAOYSA-N;127.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190727;MM190727;C#Cc1coc(F)c1O;SZEPKXXWNVTMDS-UHFFFAOYSA-N;126.09;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190728;MM190728;C=NN=c1occ(F)o1;OABUCMQOKOCTAW-UHFFFAOYSA-N;130.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190729;MM190729;C=NN=c1onc(C)o1;OQMTVUGCLCNDAD-UHFFFAOYSA-N;127.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190730;MM190730;Nc1[nH]cc(C=O)c1F;HEXDDNHXCPEGHK-UHFFFAOYSA-N;128.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190731;MM190731;NN=c1nc(N)oc(=O)[nH]1;LXHHSHZKIIQONF-UHFFFAOYSA-N;143.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190732;MM190732;C=NN=c1onc(F)o1;QZSVVAIXWXMXLM-UHFFFAOYSA-N;131.07;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190733;MM190733;C#CC=C1CC=C(C)C1;KQFAVSUIBZQJFL-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190734;MM190734;C#CC=C1CC=C(F)C1;HNTJKUQOMSJQNP-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190735;MM190735;C#CC=C1CC(C)=CO1;PMPQWVNSMFVLRN-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190736;MM190736;C#CC=C1CC(F)=CO1;ZOYRXPZDPJFQMI-UHFFFAOYSA-N;124.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190737;MM190737;C#CC=C1CNC(C)=N1;GNCBPQMNBYUTNW-UHFFFAOYSA-N;120.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190738;MM190738;C#CC=C1CC=C(C)O1;NSGUCUMLJHKGJC-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190739;MM190739;CCCC1=CCC(C)C1;UZSBJIILMCAVSC-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190740;MM190740;CC1CC=C(CCN)C1;DJLWOJSVSNAJQY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190741;MM190741;CCCC1=CCC(N)C1;IHDHPLWLWVXPBC-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190742;MM190742;NCCC1=CCC(N)C1;YPMKFMONBLGPCT-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190743;MM190743;CN=C(OC)N(O)C=N;UHZUKZIVMZCESW-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190744;MM190744;NCCC1=CCC(O)C1;HQLBYBSGXMRQFE-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190745;MM190745;CCCC1=CCC(F)C1;SPPWEMIQNBPQRU-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190746;MM190746;NCCC1=CCC(F)C1;KSFCFSDXAKAMQB-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190747;MM190747;CNCC1=CCC(C)C1;WTUXILNYYPCONE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190748;MM190748;CNCC1=CCC(N)C1;MLHILEILMIELTQ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190749;MM190749;CNCC1=CCC(O)C1;DDZIXDGZOPFWGS-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190750;MM190750;CNCC1=CCC(F)C1;ZLORWDSHWZXTDS-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190751;MM190751;CCOC1=CCC(C)C1;NVJXYFCBZHMXHO-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190752;MM190752;CCOC1=CCC(N)C1;DHLSFAPTGIDURF-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190753;MM190753;CCCC1=COC(C)C1;WOUJFOIHTNKRAZ-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190754;MM190754;CC1CC(CCN)=CO1;ARUSQNRECHJOCC-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190755;MM190755;CCCC1=NNC(C)C1;AOTFWGGKIOEXLE-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190756;MM190756;CC1CC(CCN)=NN1;CBLSQMYLKFSESB-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190757;MM190757;CCCC1=NOC(C)C1;UAAUMQKRPPOTBZ-UHFFFAOYSA-N;127.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190758;MM190758;CCCC1=NC(C)CN1;OMASQTPPWRGJHV-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190759;MM190759;CCNC1=NCC(C)N1;YRUXRALRPWVGPI-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190760;MM190760;CCCC1=CCC(C)O1;YDPRKVCKMNNQAI-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190761;MM190761;CCCC1=COC(C)O1;PEBAUJOHFSLVLJ-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190762;MM190762;CCCC1=CCN(C)C1;KRMKZIVDCBWGAH-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190763;MM190763;CN1CC=C(CCN)C1;DEBHCDLQBYEEOY-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190764;MM190764;CNCC1=CCN(C)C1;LPZMSDBGMFTCDR-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190765;MM190765;C=CCC1=CCC(C)C1;RIUCOBQYZRLXSR-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190766;MM190766;CC1CC=C(CC=O)C1;NQQUPYYCQWAUTO-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190767;MM190767;CC1CC=C(CC#N)C1;SPPKAYRGMFGHGQ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190768;MM190768;C=CCC1=CCC(N)C1;LGUJXMVZBGEUBT-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190769;MM190769;CC(C#N)C(O)C1CN1;KESJYKRKTIEYCE-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190770;MM190770;CCC(C)(O)C(CO)=NN;FZCSCWVNKYUVKH-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190771;MM190771;CC(C)OC(=N)N(O)C=N;ANQAAMYROAQKIB-UHFFFAOYSA-N;145.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190772;MM190772;C=CCC1=CCC(F)C1;AZDSLNWYGDWHBC-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190773;MM190773;N#CCC1=CCC(F)C1;DLGOTJDOCVRDFH-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190774;MM190774;CC1CC=C(NC=N)C1;BQKJIDAQXLBKEV-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190775;MM190775;CC1CC=C(NC=O)C1;BYWVMHFGXAFSJC-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190776;MM190776;N=CNC1=CCC(N)C1;OGPOUCWYXQMYDB-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190777;MM190777;N=CNC1=CCC(O)C1;QADHEJIYNSGNKS-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190778;MM190778;N=CNC1=CCC(F)C1;LWUJCTNPXDMGIG-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190779;MM190779;C=COC1=CCC(C)C1;LYDCQLFPRPNGEE-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190780;MM190780;C=COC1=CCC(N)C1;XMBDDDIPVVDADR-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190781;MM190781;C=COC1=CCC(O)C1;DEZKQTINYVKRLT-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190782;MM190782;C=COC1=CCC(F)C1;GERUYAITVOIGIV-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190783;MM190783;C=CCC1=COC(C)C1;WTGKDBUXUKMGQX-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190784;MM190784;CC1CC(CC#N)=CO1;JHPVVEPRMDBGDC-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190785;MM190785;CC1CC(NC=N)=CO1;LITSYGLJHCUGLA-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190786;MM190786;C=COC1=COC(C)C1;DJWXVYDVQBBQGU-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190787;MM190787;C=CNC1=NCC(C)C1;XIGHALCJSOCUON-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190788;MM190788;C=CNC1=NCC(N)C1;JREKQNSIGZKESV-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190789;MM190789;C=CNC1=NCC(O)C1;NOYQASWJBUYRLN-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190790;MM190790;C=CNC1=NCC(F)C1;CIIIPFXNNFYRCM-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190791;MM190791;C=CCC1=NNC(C)C1;KFKWCLATHYPNCM-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190792;MM190792;CC1CC(CC#N)=NN1;CJDNPPMHYQGECI-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190793;MM190793;C=CNC1=NNC(C)C1;CKRJGVQKUNCDLX-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190794;MM190794;C=CCC1=NOC(C)C1;GARGFYNOHCNZGQ-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190795;MM190795;CC1CC(CC#N)=NO1;NQRHNFOWFQOYRB-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190796;MM190796;C=CNC1=NOC(C)C1;PJQPACMAZWGQTQ-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190797;MM190797;C=CCC1=NCC(C)N1;AUFBKQIOPDYMPG-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190798;MM190798;C=CNC1=NCC(C)N1;HKJPQCRRKCQNTE-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190799;MM190799;CC1CN=C(NC=N)N1;QJBIYTJGFNGREQ-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190800;MM190800;C=CCC1=CCC(C)O1;RKIXSHBRCDOEON-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190801;MM190801;CC1CC=C(CC#N)O1;HTHVHPDNBYSPEK-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190802;MM190802;C=CCC1=COC(C)O1;RTCCIOFRMNVFHA-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190803;MM190803;CC1OC=C(CC#N)O1;DQMGYBORDMOOQP-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190804;MM190804;C=CCC1=NOC(C)O1;DYZHUKZDDAOKCS-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190805;MM190805;NN=CC(F)C(O)CCO;YZNKHSNMKROZOV-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190806;MM190806;C=CNC1=NOC(C)O1;FDQDUURSLRFCFO-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190807;MM190807;C=CCC1=CCN(C)C1;IHFDIRKLHRLLMC-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190808;MM190808;CN1CC=C(NC=N)C1;IGOWQTPRQOKPQM-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190809;MM190809;C#CCC1=CCC(C)C1;GDEFYWBHCKNRTB-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190810;MM190810;C#CCC1=CCC(N)C1;KUQBNXGTKUVJDK-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190811;MM190811;CN=CN(O)C(=N)C(C)O;ZCCPWEQLVYFDPZ-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190812;MM190812;C#CCC1=CCC(F)C1;XNEWKZUUUUYCJL-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190813;MM190813;C#CCC1=COC(C)C1;UEULZCNNXAHDQR-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190814;MM190814;C#CCC1=NNC(C)C1;CKPQHHPAFJARAP-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190815;MM190815;C#CCC1=NOC(C)C1;YFNXLSGEMVFAOE-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190816;MM190816;C#CCC1=NCC(C)N1;UBAPHNVKBTXJCA-UHFFFAOYSA-N;122.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190817;MM190817;C#CCC1=CCC(C)O1;IWYJMABPNWKXBV-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190818;MM190818;C#CCC1=COC(C)O1;ZLWCEZPVSWKEQU-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190819;MM190819;C#CCC1=NOC(C)O1;CNRYYGLOXJCHPU-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190820;MM190820;C#CCC1=CCN(C)C1;KUBOQBMALBRVMQ-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190821;MM190821;C=C1CC=C(CCC)C1;BFVYUWOFMQSFCZ-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190822;MM190822;C=C1CC=C(CCN)C1;VLNVVENVIRFWBP-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190823;MM190823;CCCC1=CCC(=O)C1;NPBRGNIVZOZFOT-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190824;MM190824;C=C1CC=C(CNC)C1;WPZRDSXZJGNBHI-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190825;MM190825;CNCC1=CCC(=O)C1;VAWAQTVEERGGRX-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190826;MM190826;C=C1CC=C(OCC)C1;LSBLMBFEAGSPKH-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190827;MM190827;CCOC1=CCC(=O)C1;RSYYDEPHBAYLMI-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190828;MM190828;CCCC1=CNC(=N)C1;IHEXEOGRPAWZFY-UHFFFAOYSA-N;124.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190829;MM190829;N=C1CC(CCN)=CN1;CGYQHKFQQYMTKN-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190830;MM190830;CCCC1=CNC(=O)C1;OSJDIIJBIKZASU-UHFFFAOYSA-N;125.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190831;MM190831;NCCC1=CNC(=O)C1;NNZNLDFBLJHIEK-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190832;MM190832;CNCC1=CNC(=N)C1;GCPNBZVWPVRWTH-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190833;MM190833;CCOC1=CNC(=N)C1;BLWNKSJOXTZOQV-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190834;MM190834;C=C1CC(CCC)=CO1;ZVCBECUGFCHBJZ-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190835;MM190835;C=C1CC(CCN)=CO1;XWBQQTABBMYCII-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190836;MM190836;CCCC1=COC(=O)C1;KEAOAZFCGULRET-UHFFFAOYSA-N;126.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190837;MM190837;NCCC1=COC(=O)C1;DRQKPUXHIBVMGX-UHFFFAOYSA-N;127.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190838;MM190838;C=CC1(C)NC1C(O)CO;CAIXXWZPGAOXQM-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190839;MM190839;N=C1CC(CCN)=NN1;NULKBTTXVFNWTB-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190840;MM190840;CCCC1=NNC(=O)C1;GVUNLYBSNQOHBD-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190841;MM190841;NCCC1=NNC(=O)C1;CPGGRBJNWUMMKJ-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190842;MM190842;CCCC1=NOC(=O)C1;ZNPZCYHJANIRID-UHFFFAOYSA-N;127.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190843;MM190843;NCCC1=NOC(=O)C1;KSWYPKKYYSSRHP-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190844;MM190844;CCCC1=CCC(=N)N1;BIKYWOXMTIWDHJ-UHFFFAOYSA-N;124.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190845;MM190845;N=C1CC=C(CCN)N1;XOVFPRIEXCZWLQ-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190846;MM190846;CCCC1=CCC(=O)N1;NJZRIFXWLQKBTF-UHFFFAOYSA-N;125.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190847;MM190847;NCCC1=CCC(=O)N1;MUJIKVSHVBQVQC-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190848;MM190848;CCCc1c[nH]c(=N)[nH]1;CRNVERBWFRVMRA-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190849;MM190849;CCCc1c[nH]c(=O)[nH]1;XVRUDUVVABJXSC-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190850;MM190850;CCNc1c[nH]c(=N)[nH]1;YWGCUIXYPNYEJQ-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190851;MM190851;CCNc1c[nH]c(=O)[nH]1;YBKIUTJDSQQBEN-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190852;MM190852;CCCc1coc(=N)[nH]1;ICFXFBRMEVJSDF-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190853;MM190853;CCCc1coc(=O)[nH]1;CCNBSHOAMFXTBS-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190854;MM190854;CCNc1coc(=N)[nH]1;DVVAPBMLBWNJLZ-UHFFFAOYSA-N;127.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190855;MM190855;CCNc1coc(=O)[nH]1;KDJGMAULIIABCL-UHFFFAOYSA-N;128.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190856;MM190856;C=C1CNC(CCC)=N1;WARPRNGKYQKJTH-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190857;MM190857;C=C1CNC(CCN)=N1;MPZNJJKAWMWVHS-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190858;MM190858;N#CC1(CO)CN(O)C=N1;YYTSYKBJJDLUIV-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190859;MM190859;C=C1CN=C(NCC)N1;WMQHXCLMCSZJPO-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190860;MM190860;CCNC1=NCC(=N)N1;TUCSOLGLMBPYLJ-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190861;MM190861;C#CC1(CC(F)C=O)CN1;NBWFIJMBDURASS-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190862;MM190862;ON=c1cc(O)nnn1O;RYCGJBDBNHNNNN-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190863;MM190863;CN(C=O)OC(CF)=NO;AIGWEEVQQVLZQJ-UHFFFAOYSA-N;150.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190864;MM190864;C=C1CC=C(CCC)O1;IHIKCRXCCHFONA-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190865;MM190865;CCCC1=CCC(=O)O1;LQXOMGOPQGMWAI-UHFFFAOYSA-N;126.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190866;MM190866;CCCc1c[nH]c(=N)o1;ZDYGUPPFAHBLGA-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190867;MM190867;CCCc1c[nH]c(=O)o1;INQNCICWDWXDHG-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190868;MM190868;CCCc1coc(=O)o1;IEOVPNZQPZGDRI-UHFFFAOYSA-N;128.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190869;MM190869;NCCc1coc(=O)o1;XSVDTQBYPQZAAK-UHFFFAOYSA-N;129.12;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190870;MM190870;O=c1occ(CCO)o1;JYCBJNDWYIJAJL-UHFFFAOYSA-N;130.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190871;MM190871;O=c1occ(CCF)o1;CQNORYXNPVJYQU-UHFFFAOYSA-N;132.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190872;MM190872;COCc1coc(=O)o1;PGKAQQFEGSTFNL-UHFFFAOYSA-N;130.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190873;MM190873;CCNc1coc(=O)o1;ILNLNFRHUBZAJW-UHFFFAOYSA-N;129.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190874;MM190874;Nc1c(CF)noc1O;JYSUPSQQHIXZMZ-UHFFFAOYSA-N;132.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190875;MM190875;CCCc1noc(=O)o1;BMIJLQDRJDIKIM-UHFFFAOYSA-N;129.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190876;MM190876;NCCc1noc(=O)o1;ATGNEDYRCLERQU-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190877;MM190877;O=c1onc(CCO)o1;SYPNVGNQYMTRQD-UHFFFAOYSA-N;131.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190878;MM190878;O=c1onc(CCF)o1;HUUDGBBDMCSXCI-UHFFFAOYSA-N;133.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190879;MM190879;COCc1noc(=O)o1;RMFBVCVZDDDQIE-UHFFFAOYSA-N;131.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190880;MM190880;CCC(O)C(F)C(=N)NO;LPNXMSIDSINZRW-UHFFFAOYSA-N;150.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190881;MM190881;CCOc1noc(=O)o1;FMPOXGUSWUHOMV-UHFFFAOYSA-N;131.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190882;MM190882;C=CCC1=CCC(=C)C1;NDIRGOHYPMLIEX-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190883;MM190883;C=C1CC=C(CC=O)C1;XPYISXUBMGSDBI-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190884;MM190884;C=C1CC=C(CC#N)C1;SXLXVWRGIQMFSR-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190885;MM190885;C=CCC1=CCC(=O)C1;MVSRXZVYAGXEAN-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190886;MM190886;O=CCC1=CCC(=O)C1;HXPUDDHDJGCQBN-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190887;MM190887;N#CCC1=CCC(=O)C1;QGIUHKXNENIHJV-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190888;MM190888;C=C1CC=C(NC=N)C1;OEUHYEMDMFNQBH-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190889;MM190889;C=C1CC=C(NC=O)C1;PMXGPXMAYBHTJG-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190890;MM190890;N=CNC1=CCC(=O)C1;BJXYYWBTUCWBFY-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190891;MM190891;O=CNC1=CCC(=O)C1;BTHPHYDNGYSKLR-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190892;MM190892;C=COC1=CCC(=C)C1;QZKYFSOARYITFN-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190893;MM190893;C=COC1=CCC(=O)C1;NHAHZYIOAOFTSL-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190894;MM190894;C=CCC1=CNC(=N)C1;DWNYRCMBFLRZHB-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190895;MM190895;N=C1CC(CC=O)=CN1;ZXDLUJZAVUWHCC-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190896;MM190896;N#CCC1=CNC(=N)C1;RIHRUQWHXGNCEI-UHFFFAOYSA-N;121.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190897;MM190897;C=CCC1=CNC(=O)C1;ZMNBEKZMUVRNJK-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190898;MM190898;O=CCC1=CNC(=O)C1;QNFVTSCMLKMHJZ-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190899;MM190899;N#CCC1=CNC(=O)C1;QFMSJGWJTNOUJA-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190900;MM190900;N=CNC1=CNC(=N)C1;QGWIYRZANVHNCI-UHFFFAOYSA-N;124.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190901;MM190901;N=C1CC(NC=O)=CN1;JBEBJLGXAHNDKN-UHFFFAOYSA-N;125.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190902;MM190902;N=CNC1=CNC(=O)C1;JANYMWYNTRJSRT-UHFFFAOYSA-N;125.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190903;MM190903;C=COC1=CNC(=N)C1;UXPNFSZBTFYAEH-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190904;MM190904;C=COC1=CNC(=O)C1;CMVASWVLIKUVBZ-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190905;MM190905;C=CCC1=COC(=C)C1;FDLJJTQVNRPOHO-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190906;MM190906;C=C1CC(CC=O)=CO1;YNUZMLFUOSSQGG-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190907;MM190907;C=C1CC(CC#N)=CO1;GIJOASAWDYLHJE-UHFFFAOYSA-N;121.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190908;MM190908;C=CCC1=COC(=O)C1;YGTXAELZRUMCRE-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190909;MM190909;O=CCC1=COC(=O)C1;NUFSMUNEMQKKAP-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190910;MM190910;N#CCC1=COC(=O)C1;HOAZNSSTXSNYQL-UHFFFAOYSA-N;123.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190911;MM190911;C=C1CC(NC=N)=CO1;QVSBKUVMWUFKQY-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190912;MM190912;N=CNC1=COC(=O)C1;IIYBUSLISNMBOI-UHFFFAOYSA-N;126.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190913;MM190913;C=COC1=COC(=C)C1;XYAXCNUSMCYOKK-UHFFFAOYSA-N;124.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190914;MM190914;C=COC1=COC(=O)C1;SULUAPVCGFMOKQ-UHFFFAOYSA-N;126.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190915;MM190915;C=CN=C1CC(=C)CN1;PECPLHNTHMYACE-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190916;MM190916;C=CN=C1CC(=O)CN1;ABHJSGANXJYPND-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190917;MM190917;CN=C(N)C(=O)C(=O)CO;JEJIWJRDXZFWED-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190918;MM190918;C#CCOC(=N)N(O)C=N;LOXPQHVVETURTL-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190919;MM190919;C=CCC1=NNC(=O)C1;LQYGHEDHEOOXKR-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190920;MM190920;O=CCC1=NNC(=O)C1;YDFAXGMIEFWJQO-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190921;MM190921;N#CCC1=NNC(=O)C1;BHEXRSVSUCKRPY-UHFFFAOYSA-N;123.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190922;MM190922;C=CN=C1CC(=N)NN1;NETYXYWLDAVJNE-UHFFFAOYSA-N;124.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190923;MM190923;N=CN(N)C(=O)C#CCO;YWZLXNVGPLDIHP-UHFFFAOYSA-N;141.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190924;MM190924;C=COC1=NNC(=O)C1;BELZJEXUSWWBHH-UHFFFAOYSA-N;126.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190925;MM190925;C=CCC1=NOC(=O)C1;PVZILPVSDBTFIO-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190926;MM190926;N#CCC1=NOC(=O)C1;JMXMCDDLDMSHDZ-UHFFFAOYSA-N;124.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190927;MM190927;C=CCC1=CCC(=N)N1;FPZHZSRKYMVGTM-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190928;MM190928;N#CCC1=CCC(=N)N1;VPLNTYOYKVNYAY-UHFFFAOYSA-N;121.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190929;MM190929;C=CCC1=CCC(=O)N1;RAQPSBMWXJTEPJ-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190930;MM190930;N#CCC1=CCC(=O)N1;PKKUYWBCMFYMSH-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190931;MM190931;N=CNC1=CCC(=N)N1;PMYAGPDBQLLXNB-UHFFFAOYSA-N;124.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190932;MM190932;N=CNC1=CCC(=O)N1;XWGBDBTVIZNSHK-UHFFFAOYSA-N;125.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190933;MM190933;C=COC1=CCC(=N)N1;HJCXTRLSNRZOQN-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190934;MM190934;C=COC1=CCC(=O)N1;UVAKRCDKPHXRSX-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190935;MM190935;C=CCc1c[nH]c(=N)[nH]1;FDRBDLCMQINYOY-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190936;MM190936;N#CCc1c[nH]c(=N)[nH]1;ZHAWYLJZECSLGS-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190937;MM190937;C=CCc1c[nH]c(=O)[nH]1;LHFHTLYEDSIWGQ-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190938;MM190938;N#CCc1c[nH]c(=O)[nH]1;ZCDCRKKFGWGQLT-UHFFFAOYSA-N;123.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190939;MM190939;N=CNc1c[nH]c(=N)[nH]1;UVDSUGJXUIDNMF-UHFFFAOYSA-N;125.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190940;MM190940;C=COc1c[nH]c(=N)[nH]1;FELROFZCCVYNJC-UHFFFAOYSA-N;125.13;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190941;MM190941;C=COc1c[nH]c(=O)[nH]1;QPQNLFHYUZPFJP-UHFFFAOYSA-N;126.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190942;MM190942;C=CCc1coc(=N)[nH]1;WOGXVVFGRUISOC-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190943;MM190943;C=CCc1coc(=O)[nH]1;YPGITISZSGQSCB-UHFFFAOYSA-N;125.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190944;MM190944;N#CCc1coc(=O)[nH]1;DLPHJHINJYXSIZ-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190945;MM190945;N=CNc1coc(=N)[nH]1;CVAQDIHCOURSGB-UHFFFAOYSA-N;126.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190946;MM190946;C=CCC1=NC(=C)CN1;ZVODQWDHLYBVSW-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190947;MM190947;NN(C=O)C(=O)C#CCO;CEWMWTGYIMUEBS-UHFFFAOYSA-N;142.11;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190948;MM190948;N#CCC1=NCC(=O)N1;YCHLTOSLWAVJHJ-UHFFFAOYSA-N;123.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190949;MM190949;C=CNC1=NCC(=C)N1;JWLZPTCRVHKXSN-UHFFFAOYSA-N;123.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190950;MM190950;C=C1CN=C(NC=N)N1;MVFMGBUMBVQVPQ-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190951;MM190951;C=CNC1=NCC(=N)N1;YTUBZYDSTLWJFE-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190952;MM190952;N=CNC1=NCC(=N)N1;YXSUGTWQHXJSGO-UHFFFAOYSA-N;125.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190953;MM190953;C#CC(O)CCNCC#N;MTZPGLZCIWNNGX-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190954;MM190954;N=CNC1=NCC(=O)N1;MUMFCTOAJDEIDA-UHFFFAOYSA-N;126.12;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190955;MM190955;C=NNC1=NCC(=C)N1;NPIZEPWEAIJILX-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190956;MM190956;N=c1n(O)oc(=O)n1O;JENVIBBOCDOPAF-UHFFFAOYSA-N;133.06;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190957;MM190957;COn1oc(=O)n(O)c1=N;MKUAXVGYHTVHCZ-UHFFFAOYSA-N;147.09;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190958;MM190958;O=CC(C=NO)=C(F)F;UJBRINKOOXKVFH-UHFFFAOYSA-N;135.07;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190959;MM190959;C=CCC1=CCC(=C)O1;QRGFZTWZLFLKQK-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190960;MM190960;C=C1CC=C(CC#N)O1;JWWIYQXPXSJGHN-UHFFFAOYSA-N;121.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190961;MM190961;C=CCC1=CCC(=O)O1;DHYQEVYFWJBNAO-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190962;MM190962;N#CCC1=CCC(=O)O1;QAXZUGTVKFNMNT-UHFFFAOYSA-N;123.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190963;MM190963;C=C1CC=C(NC=N)O1;IWOSNWDNVMTUKP-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190964;MM190964;N=CNC1=CCC(=O)O1;ANEPABMZSSXFTQ-UHFFFAOYSA-N;126.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190965;MM190965;C=CCc1c[nH]c(=N)o1;PBMHLIVXGRGAQD-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190966;MM190966;C=CCc1c[nH]c(=O)o1;FLYGPESNFCBIKH-UHFFFAOYSA-N;125.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190967;MM190967;N#CCc1c[nH]c(=O)o1;FJXRPFBGXSIRKM-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190968;MM190968;N=CNc1c[nH]c(=N)o1;OQQRHPRRSAOLAA-UHFFFAOYSA-N;126.12;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190969;MM190969;C=CCc1coc(=O)o1;AHKWFRAXTCIVNZ-UHFFFAOYSA-N;126.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190970;MM190970;O=CCc1coc(=O)o1;KIPZEQFPPXXVAM-UHFFFAOYSA-N;128.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190971;MM190971;N#CCc1coc(=O)o1;RMGOGMBKVYYPOR-UHFFFAOYSA-N;125.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190972;MM190972;O=CNc1coc(=O)o1;XOWOXRGLHGFRQI-UHFFFAOYSA-N;129.07;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190973;MM190973;C=COc1coc(=O)o1;WZDCHVBOBGDMBS-UHFFFAOYSA-N;128.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190974;MM190974;O=COc1coc(=O)o1;BWCWAJXMSPTGCU-UHFFFAOYSA-N;130.06;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190975;MM190975;C#CC(O)CCNN=CC;CLSALZACDQSXQH-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190976;MM190976;N=c1onc(N)c(=O)n1O;IQBHLDSFLYCVKY-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190977;MM190977;N#CCOCC(CO)=NO;VSUBMEMFMALPNQ-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190978;MM190978;N=c1nnn(N)c(=O)n1O;JVGYPFFAACNRDY-UHFFFAOYSA-N;144.09;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190979;MM190979;C=CCc1noc(=O)o1;GQIWWIXHHRHMSY-UHFFFAOYSA-N;127.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190980;MM190980;O=CCc1noc(=O)o1;CBUPQAVNZZGKHS-UHFFFAOYSA-N;129.07;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190981;MM190981;N#CCc1noc(=O)o1;BSIGQAZCSKYDNW-UHFFFAOYSA-N;126.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190982;MM190982;C=NNC=NCC(F)C=O;YHWPIRFYEVPVQA-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190983;MM190983;O=CNc1noc(=O)o1;XSOWDPXTMJXYBJ-UHFFFAOYSA-N;130.06;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190984;MM190984;C=COc1noc(=O)o1;HRRGBEKCWOHMNR-UHFFFAOYSA-N;129.07;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190985;MM190985;O=COc1noc(=O)o1;SVQIOBRFKBMSSP-UHFFFAOYSA-N;131.04;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190986;MM190986;C#CCC1=CCC(=C)C1;FRJSNINWUGONGP-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190987;MM190987;C#CCC1=CCC(=O)C1;DNTQDGKJSDAXHM-UHFFFAOYSA-N;120.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190988;MM190988;C#CCC1=CNC(=N)C1;PUVPMCYGBVTDHY-UHFFFAOYSA-N;120.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190989;MM190989;C#CCC1=CNC(=O)C1;BYQILUROGZDIHJ-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190990;MM190990;C#CCC1=COC(=C)C1;FKTHDKWNWVPSFC-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190991;MM190991;C#CCC1=COC(=O)C1;FWVVXROXCWOWNK-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190992;MM190992;Cn1c(=O)n(C)n(O)c1=N;XZBYCPDJVJAJRY-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190993;MM190993;C#CCC1=NNC(=O)C1;LQWYLOHWTBPCCZ-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190994;MM190994;C#CCC1=NOC(=O)C1;HHYNYZSISXPPEI-UHFFFAOYSA-N;123.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190995;MM190995;C#CCC1=CCC(=N)N1;ZLGIWSBGPLQJKM-UHFFFAOYSA-N;120.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190996;MM190996;C#CCC1=CCC(=O)N1;PRUDIJRTVMEVOY-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190997;MM190997;C#CCc1c[nH]c(=N)[nH]1;SCXAQOCJECZCIC-UHFFFAOYSA-N;121.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190998;MM190998;C#CCc1c[nH]c(=O)[nH]1;KQUXQSFWTBZNLL-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM190999;MM190999;C#CCC1=NC(=C)CN1;IHTIHCUMYHGZHT-UHFFFAOYSA-N;120.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191000;MM191000;C#CCC1=NCC(=O)N1;SICOCGOMSJYUTP-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191001;MM191001;N#Cc1ncc(O)[nH]1;GHWXKJGYQKQIDQ-UHFFFAOYSA-N;109.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191002;MM191002;C#CCC1=CCC(=C)O1;RQYPAYGLDYBPHB-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191003;MM191003;C#CCC1=CCC(=O)O1;WRBYXIRPDUVUIP-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191004;MM191004;C#CCc1c[nH]c(=N)o1;UKTZLLOLFFIEKH-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191005;MM191005;C#CCc1c[nH]c(=O)o1;ZYJNGAZSONGIAP-UHFFFAOYSA-N;123.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191006;MM191006;C#CCc1coc(=O)o1;OEPNCRDHFYUYEI-UHFFFAOYSA-N;124.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191007;MM191007;CC(O)(C#N)C=NO;IKPJZRSNJQXIBN-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191008;MM191008;C#CCc1noc(=O)o1;FDTKCYMZPMKGMI-UHFFFAOYSA-N;125.08;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191009;MM191009;CC=CC1=CCC(C)C1;JRXHLZJTPJEZAM-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191010;MM191010;CC=CC1=CCC(N)C1;LDVBHRRDNIJHRH-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191011;MM191011;Cc1c(N)c(O)n(O)c1N;SRSBRTRLYSWLLG-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191012;MM191012;CC=CC1=CCC(F)C1;CNIAHBHKSZPGDH-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191013;MM191013;CC1CC=C(C=NN)C1;XFJDJEWGPUAOMC-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191014;MM191014;CN=c1oc(C)c(C)n1O;MXZNLJJANFKEAW-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191015;MM191015;NN=CC1=CCC(F)C1;ACFWTZQCLJKJJE-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191016;MM191016;CC=CC1=COC(C)C1;CZVPYHYXHFOHGQ-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191017;MM191017;CC=CC1=NNC(C)C1;OBAOIYQBZUINKW-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191018;MM191018;CC=CC1=NOC(C)C1;HARHXCLHYKZRHR-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191019;MM191019;CC=CC1=NC(C)CN1;YZVJSOLYAFECRR-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191020;MM191020;CC1CN=C(C=CN)N1;HZFPGHAGYBYMCW-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191021;MM191021;CC=CC1=CCC(C)O1;XIDYUSJSIURFJN-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191022;MM191022;CC=CC1=COC(C)O1;DOTLLENLSZOTEK-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191023;MM191023;CC=CC1=NOC(C)O1;RXGXAMGQQZRLJT-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191024;MM191024;CC=CC1=CCN(C)C1;SXXSQRMSLRACIZ-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191025;MM191025;CN1CC=C(C=NN)C1;MUBRBBUMNCGDLA-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191026;MM191026;C=C1CC=C(C=CC)C1;QFAVOIUWBUKCGI-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191027;MM191027;CC=CC1=CCC(=O)C1;CXSUKVMKQLWFEZ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191028;MM191028;C=C1CC=C(C=NN)C1;HCMVFEHUDMIERP-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191029;MM191029;CC=CC1=CNC(=N)C1;VVVASDNXFJZSGO-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191030;MM191030;CC=CC1=CNC(=O)C1;XIMCODAPNVDQPP-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191031;MM191031;N=C1CC(C=NN)=CN1;HLJZSYWTCJKNMW-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191032;MM191032;Cc1c(CF)oc(=N)n1O;PTORNJZLXINXJF-UHFFFAOYSA-N;146.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191033;MM191033;C=C1CC(C=CC)=CO1;VHSYLOVRKQUXSG-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191034;MM191034;CC=CC1=COC(=O)C1;QYPMAYXSLJZLLR-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191035;MM191035;C=C1CC(C=NN)=CO1;FTSOHKKOPPMPNO-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191036;MM191036;C=Cc1oc(=N)n(O)c1C;CLUZKHDNVBMYNO-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191037;MM191037;NN=C(NO)N(C=O)C=O;WBIVDMRLODAFRB-UHFFFAOYSA-N;146.11;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191038;MM191038;N=CC=C1CC(=N)NN1;SRSTUKPSYSPFEY-UHFFFAOYSA-N;124.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191039;MM191039;CC=CC1=NNC(=O)C1;XBCVNJXXZKXGKR-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191040;MM191040;N=CC=C1CC(=O)NN1;HFUXULFFDZLTHJ-UHFFFAOYSA-N;125.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191041;MM191041;CN1CCC(=NN)CC1=O;DCUOOUQODXXAPB-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191042;MM191042;CC=CC1=NOC(=O)C1;VJSWYPBLEGBZQN-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191043;MM191043;N=CC=C1CC(=O)ON1;OVKURLIDDBKCFU-UHFFFAOYSA-N;126.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191044;MM191044;CC=CC1=CCC(=N)N1;RWHJQAAORSMHCG-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191045;MM191045;CC=CC1=CCC(=O)N1;HAHZATBIUSELGE-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191046;MM191046;CC=Cc1coc(=O)[nH]1;LKEXJNBGJRMTIV-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191047;MM191047;C=C1CNC(C=CC)=N1;TZSIOQZCQZIBHI-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191048;MM191048;C=C1CN=C(C=CN)N1;PJHUOBMHMZZEDB-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191049;MM191049;CCNc1c[nH]c(OC)n1;UXNOSWXCHFJOOU-UHFFFAOYSA-N;141.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191050;MM191050;CN=c1oc(CO)nn1N;WARDWCPRTJYHTE-UHFFFAOYSA-N;144.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191051;MM191051;CC(=NO)C(O)(C=O)C=O;YWWBPQIGSKDFFS-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191052;MM191052;C=C1CC=C(C=CC)O1;QJTGXHOJXPBADY-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191053;MM191053;CC=CC1=CCC(=O)O1;WSRLTPATSQQECQ-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191054;MM191054;CC=Cc1c[nH]c(=O)o1;QQKPCQDTBFEJAZ-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191055;MM191055;CC=Cc1coc(=O)o1;REZKSXQDPATSLD-UHFFFAOYSA-N;126.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191056;MM191056;O=c1occ(C=CF)o1;LEHBOOBKGYAXDJ-UHFFFAOYSA-N;130.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191057;MM191057;NN=Cc1coc(=O)o1;OEZPEMPPBHRWRX-UHFFFAOYSA-N;128.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191058;MM191058;CCNc1cc(O)no1;HPPUIRXAMLQTTJ-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191059;MM191059;CC=Cc1noc(=O)o1;DLWPCSRUJWEDJJ-UHFFFAOYSA-N;127.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191060;MM191060;O=c1onc(C=CF)o1;REQJHNILJJRXAS-UHFFFAOYSA-N;131.06;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191061;MM191061;NN=c1oc(CO)nn1N;RVSWFWXDRFHQEQ-UHFFFAOYSA-N;145.12;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191062;MM191062;CNc1cc(O)no1;DOHXHZWVQNBAIB-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191063;MM191063;CC#CC1=CCC(C)C1;PTMNBNMNOQVLBD-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191064;MM191064;CC#CC1=CCC(N)C1;NHOTVHVARNXQCD-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191065;MM191065;CN1CC1C1CC1(O)CF;WOXAOVLYCRLWTI-UHFFFAOYSA-N;145.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191066;MM191066;CC#CC1=CCC(F)C1;TXSPIZMCPANSEO-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191067;MM191067;CC#CC1=COC(C)C1;ZEBMTODWEBSZGW-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191068;MM191068;CC#CC1=NNC(C)C1;NOTOXBKJSZADQW-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191069;MM191069;CC#CC1=NOC(C)C1;WFUFHLGXPJSADH-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191070;MM191070;CC#CC1=CCC(C)O1;ACCSBVHMMMRHMX-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191071;MM191071;CC#CC1=COC(C)O1;IZAXKQFCIITMNK-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191072;MM191072;CC#CC1=NOC(C)O1;KUOULJYKROZVJI-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191073;MM191073;C=C1CC=C(C#CC)C1;WWULRNMZIMZZQA-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191074;MM191074;CC#CC1=CCC(=O)C1;ZBLWQRFXAYMMPK-UHFFFAOYSA-N;120.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191075;MM191075;CC#CC1=CNC(=N)C1;RZBYEANASRPAGY-UHFFFAOYSA-N;120.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191076;MM191076;CC#CC1=CNC(=O)C1;YZOHMNBIQXHJMQ-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191077;MM191077;C=C1CC(C#CC)=CO1;MIGQABSGVCRKRP-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191078;MM191078;CC#CC1=COC(=O)C1;CGMFQGGCUGAUCA-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191079;MM191079;C=CC1C(C(O)CO)N1C;SYBPPHZKIKFXJD-UHFFFAOYSA-N;143.19;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191080;MM191080;CC#CC1=NNC(=O)C1;CZQCBNGSLVMXCL-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191081;MM191081;CC#CC1=NOC(=O)C1;INORSVRODSQMQY-UHFFFAOYSA-N;123.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191082;MM191082;CC#CC1=CCC(=N)N1;SALGEQSRXTYHRH-UHFFFAOYSA-N;120.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191083;MM191083;CC#CC1=CCC(=O)N1;MGNQEHFZILSDKI-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191084;MM191084;CC#Cc1c[nH]c(=N)[nH]1;NXJGDNLCWVFBFK-UHFFFAOYSA-N;121.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191085;MM191085;CC#Cc1c[nH]c(=O)[nH]1;DZCYTGJUTDLJNZ-UHFFFAOYSA-N;122.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191086;MM191086;CC#Cc1coc(=O)[nH]1;QZFBYQSKQGRIPA-UHFFFAOYSA-N;123.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191087;MM191087;OCc1cn[nH]c1;JRMKJOOJKCAEJK-UHFFFAOYSA-N;98.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191088;MM191088;CC#CC1=NCC(=O)N1;UOXJFRVCAZVQMK-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191089;MM191089;CNc1[nH]nc(F)c1O;SOZFVGFJGAXZJU-UHFFFAOYSA-N;131.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191090;MM191090;Cn1oc(=N)nc1O;ONOJWNUAFHGBPN-UHFFFAOYSA-N;115.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191091;MM191091;C=C1CC=C(C#CC)O1;TXIZDUXGDYJMEN-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191092;MM191092;CC#CC1=CCC(=O)O1;PDYQGYHHDVNTOO-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191093;MM191093;CC#Cc1c[nH]c(=O)o1;WHOORUJSSITOBP-UHFFFAOYSA-N;123.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191094;MM191094;CC#Cc1coc(=O)o1;RUQZXBYTWSBCPV-UHFFFAOYSA-N;124.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191095;MM191095;CC#Cc1noc(=O)o1;KCCYBWZRKIETAK-UHFFFAOYSA-N;125.08;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191096;MM191096;CCCC1=CC=C(C)C1;CQOBGCGJIGUEBR-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191097;MM191097;CC1=CC=C(CCN)C1;IAEWJUMJNDCEPW-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191098;MM191098;CC1=CC=C(CCO)C1;QPYQUYJDDFYKNU-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191099;MM191099;CCCC1=CC=C(F)C1;HHRNZCHMTHZMHD-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191100;MM191100;NCCC1=CC=C(F)C1;XYMYYZFWHNXLQU-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191101;MM191101;CNCC1=CC=C(C)C1;PQVVJKOXMISYAF-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191102;MM191102;CNCC1=CC=C(F)C1;SNPBNMGTIAGSBB-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191103;MM191103;CCOC1=CC=C(C)C1;MSCFYNYNWPKXGD-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191104;MM191104;CCOC1=CC=C(F)C1;DLIYCNUKFQBHTA-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191105;MM191105;CCCC1=NN=C(C)C1;CYISPKXCXDLVIS-UHFFFAOYSA-N;124.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191106;MM191106;CC1=NN=C(CCN)C1;ZGRMWMCMLAECPJ-UHFFFAOYSA-N;125.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191107;MM191107;CCCc1ccc(C)[nH]1;VJHOGOXWXLEMQZ-UHFFFAOYSA-N;123.2;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191108;MM191108;Cc1ccc(CCN)[nH]1;YEDBINFTIHWNHO-UHFFFAOYSA-N;124.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191109;MM191109;Cc1coc(=N)n1O;XRGFLZGKFRLJEC-UHFFFAOYSA-N;114.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191110;MM191110;NCCc1ccc(N)[nH]1;BQHJQUILQXQICF-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191111;MM191111;CCCc1ccc(O)[nH]1;HDQCCTBKQFPIIU-UHFFFAOYSA-N;125.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191112;MM191112;NCCc1ccc(O)[nH]1;HWLMSWRLGURNGB-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191113;MM191113;CCCc1ccc(F)[nH]1;SDFWGXODMAUWEC-UHFFFAOYSA-N;127.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191114;MM191114;NN=CC1C(O)C1F;KJUBLGMPUOEBKO-UHFFFAOYSA-N;118.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191115;MM191115;NN1CC2OC2C1=O;GIESWAPDXOIKRF-UHFFFAOYSA-N;114.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191116;MM191116;C=CC(C)(O)C=NNC;AEBSZHRLDLSNOB-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191117;MM191117;Cc1ncc(CCN)[nH]1;XDKYTXBAVJELDQ-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191118;MM191118;CCCc1cnc(N)[nH]1;CRNVERBWFRVMRA-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191119;MM191119;NN(C=O)CC(O)CF;YGYAEJQOJKOYDB-UHFFFAOYSA-N;136.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191120;MM191120;NCCc1cnc(O)[nH]1;IPBJEUVWFPXMCE-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191121;MM191121;CCNc1cnc(N)[nH]1;YWGCUIXYPNYEJQ-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191122;MM191122;C=NN(C)CC(O)CF;SPWWRTVEDBLGGA-UHFFFAOYSA-N;134.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191123;MM191123;CCCc1nc(F)c[nH]1;KLARHANIJYRQHM-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191124;MM191124;CCNc1ncc(C)[nH]1;BCHJPFYPWNSBES-UHFFFAOYSA-N;125.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191125;MM191125;CCNc1ncc(N)[nH]1;QOUGYHNABOWPDT-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191126;MM191126;C=CNC(=O)C(N)=NN;PNLJYQJBZWHGKW-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191127;MM191127;C=C1C(=O)CC(=N)N1O;QVCGIYUZBBGYPO-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191128;MM191128;Cn1nc(CO)oc1=N;DSOSEUSGEZKOSG-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191129;MM191129;N=c1c(O)c(F)nnn1N;KVWWBKHGETXXMM-UHFFFAOYSA-N;145.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191130;MM191130;C=COc1cc(N)[nH]n1;VJZZJEPAJVJILF-UHFFFAOYSA-N;125.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191131;MM191131;CNc1ccn(N)c1O;HCKLVJNWWKOAIR-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191132;MM191132;N=c1cc(O)[nH]c(=O)nn1;QQMOUUHNMIIYGH-UHFFFAOYSA-N;140.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191133;MM191133;CCCc1ccc(C)o1;XPYQVFYTBQVKIS-UHFFFAOYSA-N;124.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191134;MM191134;CCCc1ccc(N)o1;MDHQXYHNKBOJLR-UHFFFAOYSA-N;125.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191135;MM191135;CCCc1ccc(F)o1;JBBXXHFHLKDWND-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191136;MM191136;CCNc1ccc(C)o1;VEGVTWJEWLKHLY-UHFFFAOYSA-N;125.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191137;MM191137;CCNc1ccc(N)o1;JRUFGOZKKMDTDU-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191138;MM191138;CCCc1cnc(C)o1;DDDRMAQEYHTVNK-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191139;MM191139;C=Nn1cc(CO)nn1;QDBDRDWROIVEGC-UHFFFAOYSA-N;126.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191140;MM191140;CCCc1cnc(F)o1;FVXWWXLWJSOUJC-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191141;MM191141;C#Cc1cc(CO)[nH]n1;XQHYNXSTNIUZIO-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191142;MM191142;C=CC1NC1C(O)CO;GGMNDDDCJRRKRA-UHFFFAOYSA-N;129.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191143;MM191143;CCCc1ncc(C)o1;NZRDFBNIWMSPHP-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191144;MM191144;CC1C(C(O)CO)N1C;DMTAOMYPIUGGDK-UHFFFAOYSA-N;131.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191145;MM191145;C=NOCC(=NO)ON=C;ZVOAFWLMUBAGDH-UHFFFAOYSA-N;145.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191146;MM191146;CCCc1ncc(F)o1;TXJJRORDKKHRGR-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191147;MM191147;CON=CC1C(O)C1F;XVACBTMTMCVFCZ-UHFFFAOYSA-N;133.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191148;MM191148;CCCc1nnc(C)o1;IRBMIURUDWUKLU-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191149;MM191149;CCCc1nnc(N)o1;ONPGEOZWSJOTMY-UHFFFAOYSA-N;127.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191150;MM191150;O=c1nnc(=O)n(O)o1;QXQYIZAARSTMIQ-UHFFFAOYSA-N;131.05;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191151;MM191151;C=CCC1=CC=C(C)C1;BKPVUXQVYIXLSI-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191152;MM191152;CC1=CC=C(CC=O)C1;KKQBYNABUCBCMW-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191153;MM191153;CC1=CC=C(CC#N)C1;OJHKDSPUVPKNME-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191154;MM191154;C=CCC1=CC=C(F)C1;PQDPRYSREFKKLG-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191155;MM191155;O=CCC1=CC=C(F)C1;ABCGPLROSNOABY-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191156;MM191156;N#CCC1=CC=C(F)C1;OHWKCRWALUZMBS-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191157;MM191157;CC1=CC=C(NC=N)C1;HWLOVWVHDHSOOV-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191158;MM191158;CC1=CC=C(NC=O)C1;LOUJKZJTWKLMIO-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191159;MM191159;N=CNC1=CC=C(F)C1;WDSRCGZSNWSWMQ-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191160;MM191160;O=CNC1=CC=C(F)C1;VLRHPXGZPRHSHE-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191161;MM191161;C=COC1=CC=C(C)C1;VEFKWEKLDKPNOB-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191162;MM191162;C=COC1=CC=C(F)C1;NCINCDIVYZOJQO-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191163;MM191163;C=CCC1=NN=C(C)C1;NKRYKOHIOHCIRY-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191164;MM191164;CC1=NN=C(CC#N)C1;LCNIKAGDOXFMNF-UHFFFAOYSA-N;121.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191165;MM191165;CC(=N)N(O)C(=N)C(N)=O;DBALLYIYSSUIMJ-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191166;MM191166;C=COC1=NN=C(C)C1;BJPHCVHEGHMAHK-UHFFFAOYSA-N;124.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191167;MM191167;C=CCc1ccc(C)[nH]1;ABHSHFFCFDEXMP-UHFFFAOYSA-N;121.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191168;MM191168;Cc1ccc(CC#N)[nH]1;KRYQQZZKNKPJDO-UHFFFAOYSA-N;120.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191169;MM191169;C=CNC(=O)C(N)=NNC;PWOBJVHQYIFFKO-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191170;MM191170;CN=C(N)C(F)(C=O)CO;PGTZBPCWFXSFFD-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191171;MM191171;C=CCc1ccc(O)[nH]1;RZDWOMIEMXPMDP-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191172;MM191172;N#CCc1ccc(O)[nH]1;XFDOXBQDZWPAIW-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191173;MM191173;C=CCc1ccc(F)[nH]1;OCCYYZVPWZRIIT-UHFFFAOYSA-N;125.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191174;MM191174;O=CCc1ccc(F)[nH]1;MERVOMRFOZDSKR-UHFFFAOYSA-N;127.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191175;MM191175;N#CCc1ccc(F)[nH]1;AWVXXTFQXOAEDN-UHFFFAOYSA-N;124.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191176;MM191176;Cc1ccc(NC=N)[nH]1;LHLWPZSIFQSVDW-UHFFFAOYSA-N;123.16;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191177;MM191177;N=CNc1ccc(N)[nH]1;ZYNKHPOYZMTYCG-UHFFFAOYSA-N;124.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191178;MM191178;N=CNc1ccc(O)[nH]1;HBLDWJFCHIWLMU-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191179;MM191179;O=CNc1ccc(O)[nH]1;ABQFGPXOVLFLNK-UHFFFAOYSA-N;126.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191180;MM191180;N=CNc1ccc(F)[nH]1;STGGAUFUKXNADW-UHFFFAOYSA-N;127.12;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191181;MM191181;C=COc1ccc(C)[nH]1;QAUGKFMUUDFRTB-UHFFFAOYSA-N;123.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191182;MM191182;CC(CO)OC(CO)=NN;XGSQWKUJZDHUSV-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191183;MM191183;C=COc1ccc(O)[nH]1;FMAGRQGCCJDOSL-UHFFFAOYSA-N;125.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191184;MM191184;C=COc1ccc(F)[nH]1;ZDLAQHXKGKHBSM-UHFFFAOYSA-N;127.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191185;MM191185;C=C(OC)N(O)C(=N)C=O;MTJKYAJPDDPNEB-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191186;MM191186;C=CCc1cnc(N)[nH]1;FDRBDLCMQINYOY-UHFFFAOYSA-N;123.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191187;MM191187;N#CCc1cnc(N)[nH]1;ZHAWYLJZECSLGS-UHFFFAOYSA-N;122.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191188;MM191188;C=CCc1cnc(O)[nH]1;LHFHTLYEDSIWGQ-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191189;MM191189;N#CCc1cnc(O)[nH]1;ZCDCRKKFGWGQLT-UHFFFAOYSA-N;123.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191190;MM191190;N=CNc1cnc(N)[nH]1;UVDSUGJXUIDNMF-UHFFFAOYSA-N;125.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191191;MM191191;N=CNc1cnc(O)[nH]1;XCUXLEJQZJOPTD-UHFFFAOYSA-N;126.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191192;MM191192;C=C(C=O)N(O)C(=N)OC;OXKOOFWTFVKJEP-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191193;MM191193;C=COc1cnc(O)[nH]1;QPQNLFHYUZPFJP-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191194;MM191194;COC(=N)N(O)C(C)=CF;YGLTWNIJRKQUDO-UHFFFAOYSA-N;148.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191195;MM191195;C=NOCC1(O)C(C)C1C;GAAQDLNFIRRLEA-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191196;MM191196;CC=NNC(C)C(O)CO;WKOMDQXYWUCRPA-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191197;MM191197;C=CCc1nc(F)c[nH]1;JCOQKGKLDICOSB-UHFFFAOYSA-N;126.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191198;MM191198;N#CCc1nc(F)c[nH]1;SMRYPZOPOOZZAR-UHFFFAOYSA-N;125.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191199;MM191199;N=CNc1ncc(N)[nH]1;GFWXYSXXCUJUKG-UHFFFAOYSA-N;125.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191200;MM191200;C=CN(N)C(=O)C#CCO;YCLONRLVEPQISK-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191201;MM191201;C=NNCC1CC1(O)CF;GGLGIBYPVHNZBV-UHFFFAOYSA-N;146.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191202;MM191202;Nc1nnn(O)c(=O)n1;FTAHEKGKWPAQDF-UHFFFAOYSA-N;129.08;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191203;MM191203;C=CCc1nc(C)n[nH]1;WGMOJGHWLNPWIR-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191204;MM191204;Cc1n[nH]c(CC#N)n1;JPJXXDXAJJOQOX-UHFFFAOYSA-N;122.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191205;MM191205;CCN(O)C(=NOC)NO;CVVUVFYQEOGBDL-UHFFFAOYSA-N;149.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191206;MM191206;N#CCc1nc(N)n[nH]1;SOMIOFGENIHTFQ-UHFFFAOYSA-N;123.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191207;MM191207;N=CNN=C(CO)OC=O;ZVUFBXBLOIDEHB-UHFFFAOYSA-N;145.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191208;MM191208;C=COc1n[nH]c(C)n1;UCDVXGBFSLSISM-UHFFFAOYSA-N;125.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191209;MM191209;O=Cc1nnc(=O)n(O)n1;HHLBEDUJEIZEPH-UHFFFAOYSA-N;142.07;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191210;MM191210;C=CCc1ccc(C)o1;ZXWZWPVZEDLEIX-UHFFFAOYSA-N;122.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191211;MM191211;Cc1ccc(CC#N)o1;JHIJLFWTUJRTHP-UHFFFAOYSA-N;121.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191212;MM191212;C=CCc1ccc(N)o1;PLKQXRCCTABVIR-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191213;MM191213;N#CCc1ccc(N)o1;GDGAXNQHGVCHOC-UHFFFAOYSA-N;122.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191214;MM191214;C=CCc1ccc(F)o1;KBILDYGSQBSHNH-UHFFFAOYSA-N;126.13;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191215;MM191215;N#CCc1ccc(F)o1;KPQVYNLOJSAARN-UHFFFAOYSA-N;125.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191216;MM191216;Cc1ccc(NC=N)o1;MBVSJHNRBMHPBL-UHFFFAOYSA-N;124.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191217;MM191217;N=CNc1ccc(F)o1;JXXDKUMEJBOBCH-UHFFFAOYSA-N;128.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191218;MM191218;C=COc1ccc(C)o1;VZXYAXKDHHLFMD-UHFFFAOYSA-N;124.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191219;MM191219;C=COc1ccc(N)o1;UDSGDSGZTJLBOF-UHFFFAOYSA-N;125.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191220;MM191220;C=COc1ccc(F)o1;NCTBLHKSJUPKKX-UHFFFAOYSA-N;128.1;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191221;MM191221;C=CCc1cnc(C)o1;YKYBMWBKGAAHQW-UHFFFAOYSA-N;123.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191222;MM191222;Cc1ncc(CC#N)o1;PHYGYYHJSAGREB-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191223;MM191223;CC(O)C(N=CNO)=NN;LQKMEDOAKBSQHF-UHFFFAOYSA-N;146.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191224;MM191224;N#CCc1cnc(N)o1;UWQHBRFKXGUGMO-UHFFFAOYSA-N;123.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191225;MM191225;C=CCc1cnc(F)o1;WYWCSBYPBUZQLI-UHFFFAOYSA-N;127.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191226;MM191226;N#CCc1cnc(F)o1;WRIOVWHHQRHPTM-UHFFFAOYSA-N;126.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191227;MM191227;Cc1ncc(NC=N)o1;VZGBHDOAYCTWBD-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191228;MM191228;Cn1c(=O)c(=N)n(O)n1C;RJTPOTOMNSUCQT-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191229;MM191229;N=CNc1cnc(O)o1;QGVVWJQOSWBTHQ-UHFFFAOYSA-N;127.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191230;MM191230;C=COc1cnc(C)o1;RHOIUYNKQWJFDB-UHFFFAOYSA-N;125.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191231;MM191231;N=c1c(F)c(N)n(N)n1O;WJSSQCLHMFCBLO-UHFFFAOYSA-N;147.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191232;MM191232;C=CCc1ncc(C)o1;AUKQPLJVKUYOQF-UHFFFAOYSA-N;123.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191233;MM191233;Cc1cnc(CC#N)o1;PAOBMSGSACDPKV-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191234;MM191234;N=c1c(N)c(F)n(N)n1O;VNZDVQXTFJPILL-UHFFFAOYSA-N;147.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191235;MM191235;N#CCc1ncc(N)o1;MLGQBUHOHFXDBD-UHFFFAOYSA-N;123.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191236;MM191236;C#Cc1nnc(=O)n(O)n1;FSQZIDJFIZUZPX-UHFFFAOYSA-N;138.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191237;MM191237;CNc1nnn(O)c(=O)n1;DRKQYYYVSJXLNY-UHFFFAOYSA-N;143.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191238;MM191238;C=CCc1ncc(F)o1;LAXSCHKGCOSAQT-UHFFFAOYSA-N;127.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191239;MM191239;N#CCc1ncc(F)o1;BFUKZRCAAWGSNC-UHFFFAOYSA-N;126.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191240;MM191240;C#Cc1nnn(O)c(=O)n1;FYWAZZKHIPLRDD-UHFFFAOYSA-N;138.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191241;MM191241;C=CCc1nnc(C)o1;YBPRQZAVKVCKCP-UHFFFAOYSA-N;124.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191242;MM191242;Cc1nnc(CC#N)o1;OFZOFWLYCRPADL-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191243;MM191243;C=CCc1nnc(N)o1;GWXZWTPXMFNNDW-UHFFFAOYSA-N;125.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191244;MM191244;N#CCc1nnc(N)o1;DTXFXKMIEUOGLZ-UHFFFAOYSA-N;124.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191245;MM191245;O=c1n(O)cnn1O;RYRDKFYQSDXDDQ-UHFFFAOYSA-N;117.06;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191246;MM191246;O=c1nc(F)c(O)cn1O;RLRGJLFVXYAOTC-UHFFFAOYSA-N;146.08;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191247;MM191247;C=CCc1nnc(F)o1;NUSYKOUCCQXHJK-UHFFFAOYSA-N;128.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191248;MM191248;N#CCc1nnc(F)o1;BNAYJRLQAJMDHX-UHFFFAOYSA-N;127.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191249;MM191249;C#CCC1=CC=C(C)C1;RGWKBTQTPJSPBH-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191250;MM191250;C#CCC1=CC=C(F)C1;BZOFOZBTSDLNHO-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191251;MM191251;C#CCC1=NN=C(C)C1;RRYSXPAVYGYBGQ-UHFFFAOYSA-N;120.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191252;MM191252;C#CCc1ccc(C)[nH]1;GWNCETWOZZHVCD-UHFFFAOYSA-N;119.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191253;MM191253;N=c1ncn(N)n(O)c1=N;GINVEILGENPXAU-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191254;MM191254;C#CCc1ccc(O)[nH]1;IDTNBXTWCMXYTK-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191255;MM191255;C#CCc1ccc(F)[nH]1;KKUMTCUBINWFQP-UHFFFAOYSA-N;123.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191256;MM191256;C#CCc1cnc(N)[nH]1;SCXAQOCJECZCIC-UHFFFAOYSA-N;121.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191257;MM191257;C#CCc1cnc(O)[nH]1;KQUXQSFWTBZNLL-UHFFFAOYSA-N;122.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191258;MM191258;NN=c1cc(F)n(N)n1O;LGLVTOWDBJGKRZ-UHFFFAOYSA-N;147.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191259;MM191259;Cc1nc(=NN)n(N)n1O;HNEMUXZGMNGRGN-UHFFFAOYSA-N;144.14;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191260;MM191260;C#CCc1nc(F)c[nH]1;ZMMFBHATZWLMPH-UHFFFAOYSA-N;124.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191261;MM191261;C#CCc1nc(C)n[nH]1;IIAIEPYXEZDMFQ-UHFFFAOYSA-N;121.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191262;MM191262;C=C1NC(CF)=NCC1O;LYGUZDQIXGIRHV-UHFFFAOYSA-N;144.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191263;MM191263;C#CCc1ccc(C)o1;AXFRDURPBRZQOT-UHFFFAOYSA-N;120.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191264;MM191264;C#CCc1ccc(N)o1;FDYQAGIRLVEQDC-UHFFFAOYSA-N;121.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191265;MM191265;C#CCc1ccc(F)o1;QTRKQKLLNRFVLC-UHFFFAOYSA-N;124.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191266;MM191266;C#CCc1cnc(C)o1;BJNNYULKCIUSDT-UHFFFAOYSA-N;121.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191267;MM191267;CNn1ccc(CC#N)c1;VLMUOELCYFLTPQ-UHFFFAOYSA-N;135.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191268;MM191268;C#CCc1cnc(F)o1;YDCIYHRSVQDPFC-UHFFFAOYSA-N;125.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191269;MM191269;C#CCc1ncc(C)o1;XHIBORHZMUMGSK-UHFFFAOYSA-N;121.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191270;MM191270;NN=c1c(F)cn(N)n1O;NSCVFDJQWHDQOS-UHFFFAOYSA-N;147.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191271;MM191271;CN=c1nn[nH]c(=O)o1;NOKDENOMZFBGFT-UHFFFAOYSA-N;128.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191272;MM191272;C#CCc1ncc(F)o1;UVJYUILJTIJBDZ-UHFFFAOYSA-N;125.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191273;MM191273;C#CCc1nnc(C)o1;WUAMSUKRPOZMBL-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191274;MM191274;C#CCc1nnc(N)o1;CBRUXYKEGDCTRK-UHFFFAOYSA-N;123.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191275;MM191275;N#CC(=O)NC=NC=O;JOOMJMCVKJGSEX-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191276;MM191276;C#CCc1nnc(F)o1;WQGLHUOPFGJEOG-UHFFFAOYSA-N;126.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191277;MM191277;CC=CC1=CC=C(C)C1;AIMSAYITYLEVQD-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191278;MM191278;CC=CC1=CC=C(F)C1;BDZRZECYEFJLPA-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191279;MM191279;CN=c1oc(CO)nn1C;URLGCXKUXXBSNC-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191280;MM191280;Cn1nc(CO)oc1=NN;ZUKBFTOJHVQFBX-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191281;MM191281;CC=CC1=NN=C(C)C1;MHPNQDHYQIFSCS-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191282;MM191282;CC1=NN=C(C=CN)C1;WXIYVDVYHZHOPF-UHFFFAOYSA-N;123.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191283;MM191283;CC1=NN=C(C=NN)C1;SKWFOHGDHSZSNO-UHFFFAOYSA-N;124.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191284;MM191284;CC=Cc1ccc(C)[nH]1;UAZABTKPAKRORG-UHFFFAOYSA-N;121.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191285;MM191285;CCN1C(C)C1C(O)CO;UITQYJWDJCIPLD-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191286;MM191286;CC=Cc1ccc(O)[nH]1;CCNKKXYNVDPELC-UHFFFAOYSA-N;123.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191287;MM191287;CC=Cc1ccc(F)[nH]1;YKUVJQGSPJHTGB-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191288;MM191288;CC=Cc1cnc(N)[nH]1;IYQWDYPJIOPTNM-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191289;MM191289;CC=Cc1cnc(O)[nH]1;VCCIBFMRTOIHGP-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191290;MM191290;CC=CC1NC1C(O)CO;PRPDCGIDNUDNKV-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191291;MM191291;CC=Cc1nc(F)c[nH]1;VEXUUOOZXCTFRJ-UHFFFAOYSA-N;126.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191292;MM191292;CC=Cc1n[nH]c(C)n1;UCQRFTSLVNMDJJ-UHFFFAOYSA-N;123.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191293;MM191293;C#CC(=NN)C1C(O)C1O;MZQPDYSYGODPID-UHFFFAOYSA-N;140.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191294;MM191294;CONC(=O)C1(C=O)CC1;GGGCCYQAMIENMO-UHFFFAOYSA-N;143.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191295;MM191295;CC=Cc1ccc(C)o1;QXSXKNKKQRKGJB-UHFFFAOYSA-N;122.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191296;MM191296;CC=Cc1ccc(N)o1;VTILQHWYUOEZMA-UHFFFAOYSA-N;123.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191297;MM191297;CC=Cc1ccc(F)o1;GDQKNJCNOWBNNT-UHFFFAOYSA-N;126.13;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191298;MM191298;CC=Cc1cnc(C)o1;NPDAXEHHGUWMAC-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191299;MM191299;NN1CCNC1=O;DHIVBEZCBBHIPZ-UHFFFAOYSA-N;101.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191300;MM191300;CC=Cc1cnc(F)o1;SABVNLXGQDXWFY-UHFFFAOYSA-N;127.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191301;MM191301;CC=Cc1ncc(C)o1;BVLPUCKXENQXRC-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191302;MM191302;C=NNCC(O)CF;JEMVZYPYTXAAPY-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191303;MM191303;Cn1nc(O)c(=O)[nH]1;BRPJBZBMLWNDFB-UHFFFAOYSA-N;115.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191304;MM191304;CC=Cc1ncc(F)o1;IIURLEQYOJGADM-UHFFFAOYSA-N;127.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191305;MM191305;CC=Cc1nnc(C)o1;NMVDRBXQVHYJLC-UHFFFAOYSA-N;124.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191306;MM191306;CC=Cc1nnc(N)o1;UWRARCKTYZDNMV-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191307;MM191307;O=c1nc(CO)[nH]n1O;CSFQYFVXGLCJPH-UHFFFAOYSA-N;131.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191308;MM191308;CC=Cc1nnc(F)o1;PBHYQKQRYSKWDP-UHFFFAOYSA-N;128.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191309;MM191309;CC#CC1=CC=C(C)C1;NVCORJDHDAJQSE-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191310;MM191310;CC#CC1=CC=C(F)C1;AJTIPPYXNKEJEF-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191311;MM191311;CC#CC1=NN=C(C)C1;ILUOKBFLERXAAG-UHFFFAOYSA-N;120.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191312;MM191312;CC#Cc1ccc(C)[nH]1;YZKZFYQSUKXOFN-UHFFFAOYSA-N;119.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191313;MM191313;C=C1COC(=N)N1O;PQXJTOBPQYSMCI-UHFFFAOYSA-N;114.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191314;MM191314;CC#Cc1ccc(O)[nH]1;CDGQEANTZLCVGO-UHFFFAOYSA-N;121.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191315;MM191315;CC#Cc1ccc(F)[nH]1;AWTHZJPRHXRSJM-UHFFFAOYSA-N;123.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191316;MM191316;CN1CC1C(O)CO;CAKHCUOBIKZPCY-UHFFFAOYSA-N;117.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191317;MM191317;CC#Cc1cnc(N)[nH]1;NXJGDNLCWVFBFK-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191318;MM191318;CC#Cc1cnc(O)[nH]1;DZCYTGJUTDLJNZ-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191319;MM191319;C=CC1(O)CN(N=C)C1;YGDADPKZJXEMRG-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191320;MM191320;CN(N)C(=O)C#CCO;BTZYYPZLUUGZGB-UHFFFAOYSA-N;128.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191321;MM191321;CC#Cc1nc(F)c[nH]1;REPLTNSYXYHORK-UHFFFAOYSA-N;124.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191322;MM191322;CC#Cc1n[nH]c(C)n1;CARNNHFQLNYRLW-UHFFFAOYSA-N;121.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191323;MM191323;CC#Cc1nc(N)n[nH]1;FFKPNRDHZJDGAZ-UHFFFAOYSA-N;122.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191324;MM191324;CC#Cc1ccc(C)o1;HNBPXUPTZUDIMR-UHFFFAOYSA-N;120.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191325;MM191325;CC#Cc1ccc(N)o1;VZNCKVARHYJCOS-UHFFFAOYSA-N;121.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191326;MM191326;CC#Cc1ccc(F)o1;JUKMPVCIRQBEBA-UHFFFAOYSA-N;124.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191327;MM191327;CC#Cc1cnc(C)o1;DYWIDUIOCLUASQ-UHFFFAOYSA-N;121.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191328;MM191328;N=C(N)C(=O)C#CCO;RQTVGNONNUQZQR-UHFFFAOYSA-N;126.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191329;MM191329;CC#Cc1cnc(F)o1;YFMCVEXECUQGOP-UHFFFAOYSA-N;125.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191330;MM191330;CC#Cc1ncc(C)o1;YSAOTBHCYXKKRN-UHFFFAOYSA-N;121.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191331;MM191331;C=C1C(C)OC(=N)N1O;WVASJVKDUNITJT-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191332;MM191332;CC(=NO)C(F)=C(F)C#N;POUQPTHUTAIWFE-UHFFFAOYSA-N;146.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191333;MM191333;CC#Cc1ncc(F)o1;ATWGIAQHTMTWQZ-UHFFFAOYSA-N;125.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191334;MM191334;CC#Cc1nnc(C)o1;YTSOVKRRCLFVML-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191335;MM191335;CC#Cc1nnc(N)o1;XAFLYHOXJDIAQI-UHFFFAOYSA-N;123.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191336;MM191336;CC(F)C(=NO)OCC#N;WUGLQWTZCVPFCI-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191337;MM191337;CC#Cc1nnc(F)o1;XXBJPOVZCRGYIK-UHFFFAOYSA-N;126.09;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191338;MM191338;CCCC1C=C(C)CC1;ZBIMAUDAJFNNDA-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191339;MM191339;CCCC1C=C(F)CC1;TWUZBTHFRUAWNL-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191340;MM191340;CNCC1C=C(C)CC1;VYJYQSCIKKMMEE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191341;MM191341;CNCC1C=C(F)CC1;DSFGQYNFOGMYQT-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191342;MM191342;CCNC1C=C(C)CC1;RMIDBQDRDRBDEB-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191343;MM191343;CCNC1C=C(F)CC1;MKJCUWDHXWOYHQ-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191344;MM191344;CCCC1C=C(C)OC1;XBESGRQKJIEXIE-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191345;MM191345;CCCC1C=C(C)CN1;FEWNCUPPVSVSMM-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191346;MM191346;CC1=CC(CCN)NC1;APBKGUIQQAAEIW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191347;MM191347;CCCC1C=C(F)CN1;RXBRCTNNKUYOND-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191348;MM191348;NCCC1C=C(F)CN1;XGTWYMURKFFKSP-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191349;MM191349;CCCC1C=C(C)CO1;CVHCMLYCNPXBNA-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191350;MM191350;CCCN1CCC(C)=N1;XXCCMDLLIVHSJT-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191351;MM191351;C=CCC1C=C(C)CC1;PNFMIFYLIQACEC-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191352;MM191352;CC1=CC(CC=O)CC1;JTOKGRLGQGRBDD-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191353;MM191353;CC1=CC(CC#N)CC1;PJPSJKGMUJAYCT-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191354;MM191354;C=CCC1C=C(F)CC1;RUJBTDFSIHMAFI-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191355;MM191355;C=NNC1C=C(F)CC1;CAMAEOOTFHUCHT-UHFFFAOYSA-N;128.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191356;MM191356;C=COC1C=C(F)CC1;SXERROONWMCXGT-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191357;MM191357;C=CCC1C=C(C)OC1;RYTZXKYWONUERY-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191358;MM191358;CC1=CC(CC#N)CO1;WACAJQITWJMXKX-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191359;MM191359;CC1=CC(CC#N)OC1;SHRFWTAEKKJSQR-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191360;MM191360;C=COC1C=C(F)CO1;DZIBOGLECFOWBD-UHFFFAOYSA-N;130.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191361;MM191361;C=CCN1CCC(C)=N1;ZULSVPLUWKURDI-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191362;MM191362;CC1=NN(CC#N)CC1;VAIWIBGQPVRPGZ-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191363;MM191363;C#CCC1C=C(C)CC1;FFBZBVQLUIWTIX-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191364;MM191364;C#CCC1C=C(F)CN1;SMZJOBJGNPBKED-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191365;MM191365;C#CCC1C=C(F)CO1;GLPJBHQONBADOB-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191366;MM191366;C#CCN1CCC(C)=N1;HHJVDDSLVXABMP-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191367;MM191367;CC=CC1C=C(C)CC1;TZGDKAKOVZNHFH-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191368;MM191368;CC=CC1C=C(F)CC1;MXYDIXFGGMBJFD-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191369;MM191369;CC=CC1C=C(C)OC1;QZNUUXIUKOHCDK-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191370;MM191370;CC=CC1C=C(F)CO1;RRGWAPYWZNNDIQ-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191371;MM191371;CN=CN1C=C(C)CC1;KLAFRRPGKQDCIV-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191372;MM191372;CC#CC1C=C(C)CC1;LEJPWHYYKOTUEG-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191373;MM191373;CC#CC1C=C(F)CC1;ULCIURWHUVEUTO-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191374;MM191374;CC#CC1C=C(C)OC1;OGEAQGOKTHHNDF-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191375;MM191375;CC#CC1C=C(C)CN1;XRCUTKUNUHASQH-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191376;MM191376;CC#CC1C=C(C)CO1;JCIIQOWQYZZCKJ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191377;MM191377;CC#CC1C=C(F)CO1;DMIZOGRPSDBHQM-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191378;MM191378;CCC=C1C=C(C)CC1;FNOKSXYGDRFQRM-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191379;MM191379;CC1=CC(=CCN)CC1;DHXDKFSQLUZBOR-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191380;MM191380;CC1=CC(=CCO)CC1;VXMWECGZRZVKEV-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191381;MM191381;CCC=C1C=C(F)CC1;QSYACLCHNBZGIT-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191382;MM191382;NCC=C1C=C(F)CC1;DPEYGOIPQVXZFF-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191383;MM191383;OCC=C1C=C(F)CC1;HNANPXCBWSZOQD-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191384;MM191384;Cc1nc(CO)[nH]c1C;XRUICZARPZYJTK-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191385;MM191385;CCC=C1C=C(C)OC1;UANZZIGSFVGKID-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191386;MM191386;CC1=CC(=CCN)CO1;YCQBWZHVZMDGRQ-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191387;MM191387;CC1=CC(=CCO)CO1;GVFCRHGARVUXDM-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191388;MM191388;CCN=C1C=C(C)CN1;BNGNVEOODPKXRM-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191389;MM191389;NNc1noc(F)c1N;FQSDJDVGDWSDQT-UHFFFAOYSA-N;132.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191390;MM191390;COC(CNC=O)=NN;URHJRAZNRCOUSL-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191391;MM191391;Nc1nnc(=O)n(O)n1;WYWFEHRLGMVQJH-UHFFFAOYSA-N;129.08;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191392;MM191392;CCN1CC1C(O)CO;RFRQTIRGABGBKX-UHFFFAOYSA-N;131.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191393;MM191393;NN=c1ncncn1O;SKNGKNQMVVSEGD-UHFFFAOYSA-N;127.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191394;MM191394;CCC(C)(C)C(O)C=NN;INHWBSAXHNJZRZ-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191395;MM191395;C=Nn1oc(=O)n(O)c1=N;XWSKRAFSTNVTEH-UHFFFAOYSA-N;144.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191396;MM191396;CCC=C1C=C(C)CO1;MKSZZGWBLAGFSF-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191397;MM191397;CC1=CC(=CCN)OC1;CTQAVYDNIGSPMS-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191398;MM191398;CC1=CC(=CCO)OC1;HUVGODHUJJAHQZ-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191399;MM191399;CCC=C1C=C(F)CO1;WQHMMIXYGXEWFP-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191400;MM191400;NCC=C1C=C(F)CO1;UHENWSPESWTRRK-UHFFFAOYSA-N;129.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191401;MM191401;C=CC=C1C=C(C)CC1;GVCXEBQPMROBSA-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191402;MM191402;CC1=CC(=CC=O)CC1;ZCBOPPSXLVABQY-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191403;MM191403;CC1=CC(=CC#N)CC1;IEAQYRHZAREAGT-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191404;MM191404;C=CC=C1C=C(F)CC1;MVHBGHNNHLQXGQ-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191405;MM191405;O=CC=C1C=C(F)CC1;ODHIFQALMSDACT-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191406;MM191406;N#CC=C1C=C(F)CC1;URCRTVUMPMVBNB-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191407;MM191407;NC(=O)ON=C(N)CC=O;KVMGYHRRWLYOJL-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191408;MM191408;C=CC1(O)CN(N=CC)C1;XIWQONBOFCXRLT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191409;MM191409;CN(O)C(CC(N)=O)=NN;YIROEUDBASCEGF-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191410;MM191410;C=NNC1=CC(C)=NC1;ZPXLXQFLNWWPLR-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191411;MM191411;C=NNC1=CC(=N)NC1;ZDADKZOUSSPTOB-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191412;MM191412;C=CC=C1C=C(C)OC1;CCSDHZBWLHRXQL-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191413;MM191413;C=NN=C1C=C(C)OC1;DZTCGWOQGXMZLQ-UHFFFAOYSA-N;124.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191414;MM191414;C=NN=C1C=C(N)OC1;QZTBEIDALXDTEX-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191415;MM191415;Cc1c[nH]c(C=CO)c1;DGIKCALRJAQHDM-UHFFFAOYSA-N;123.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191416;MM191416;CC1=CC(NC=N)=NC1;OICSSOLFGPIYPY-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191417;MM191417;N=CNC1=NCC(N)=C1;ZDZOXPVHSSQPGW-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191418;MM191418;CC(C)C(O)C(C#N)=CN;LGJBDPUBSZTYBT-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191419;MM191419;N=CNC1=NCC(F)=C1;MAFAPHXKLCPHTC-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191420;MM191420;C=NOC(=N)N(O)C(=C)C;KXZTZDFEGNLZDO-UHFFFAOYSA-N;143.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191421;MM191421;CC(=NN)OC(CO)=NN;IERZHKIJSWNVAU-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191422;MM191422;C=NN=C1C=C(F)CN1;RHLDEWREIKKLDJ-UHFFFAOYSA-N;127.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191423;MM191423;CC(O)COC(CO)=NN;QNSGRDDPQUKSGS-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191424;MM191424;C=NOCC(=C)C(O)CO;GEAYNDVDJXPNKP-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191425;MM191425;CNc1nnc(=O)n(O)n1;YCPATOIBKLIJOS-UHFFFAOYSA-N;143.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191426;MM191426;CC=CNC(=O)N(N)C=N;XPSKSZIZQMKHGT-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191427;MM191427;CC=CNC(=O)C(N)=NC;ZCSAIBBBYHPUHH-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191428;MM191428;CNN(C)C(=O)C#CCO;XBUARKXTZQJBOS-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191429;MM191429;C#Cc1c[nH]nc1O;CCMITGYBKSPCCX-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191430;MM191430;C=NNc1cc(F)[nH]n1;FHCQJJBTKCXTTB-UHFFFAOYSA-N;128.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191431;MM191431;COC=NNCC(O)CF;MHWOSBXYOJJNJP-UHFFFAOYSA-N;150.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191432;MM191432;Cc1onnc(=N)c1O;LKFQFOBEVLHAKK-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191433;MM191433;N=CNc1cc(F)on1;QILZKAOTYOPQPJ-UHFFFAOYSA-N;129.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191434;MM191434;CN=c1nc(O)n(N)o1;DPXUVNRYBPAWNR-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191435;MM191435;C=CC=NNCC(O)CF;PBFGWQBBYQCYKG-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191436;MM191436;C=CC=C1C=C(C)CO1;IPWUEPOFVTXTDB-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191437;MM191437;C=CC=C1C=C(F)CO1;MRDNNKWFQIKTNV-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191438;MM191438;C=NN=C1C=C(N)CO1;OGEIRQMXOWZXBR-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191439;MM191439;C#CC=C1C=C(C)CC1;VUCTUVJLKOQEPM-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191440;MM191440;C#CC=C1C=C(F)CC1;UPEWWBXGXQCQKI-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191441;MM191441;C#CC=C1C=C(C)OC1;GUZBEXGFYVEIAR-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191442;MM191442;C#CC=C1C=C(C)CO1;IRIRUZNTAUNWLK-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191443;MM191443;C#CC=C1C=C(F)CO1;APHHEXIUCRXZFL-UHFFFAOYSA-N;124.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191444;MM191444;CC1=CC(CCN)C=C1;ACEYPRFEVZFULK-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191445;MM191445;CCCC1C=CC(F)=C1;RZIWZYWNSGEXQP-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191446;MM191446;CCCn1ccc(C)c1;XDAQQJSUBMBOHH-UHFFFAOYSA-N;123.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191447;MM191447;CCCn1ccc(N)c1;WSHCBKPQGKYDQO-UHFFFAOYSA-N;124.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191448;MM191448;CCCn1ccc(F)c1;JQFBTPSLYAHCTJ-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191449;MM191449;CCNn1ccc(C)c1;BDKKKJXJXIBXKM-UHFFFAOYSA-N;124.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191450;MM191450;CCNn1ccc(N)c1;RSELJGPLWSNWBJ-UHFFFAOYSA-N;125.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191451;MM191451;CCNn1ccc(F)c1;KSVQFCROOKSYEW-UHFFFAOYSA-N;128.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191452;MM191452;CCCn1cnc(O)c1;XQVYOXJBYRFYCQ-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191453;MM191453;CCCn1cnc(F)c1;DPQIXSMEDNVGSO-UHFFFAOYSA-N;128.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191454;MM191454;CCNn1cnc(C)c1;PSDVSLZMTLDWFF-UHFFFAOYSA-N;125.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191455;MM191455;CCNn1cnc(N)c1;OVXYYNAOADBEHY-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191456;MM191456;CCNn1cnc(O)c1;XRDTWYMUMULNFC-UHFFFAOYSA-N;127.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191457;MM191457;CCNn1cnc(F)c1;CKYUTRWZFQKZJI-UHFFFAOYSA-N;129.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191458;MM191458;CCCn1cc(C)cn1;PFGFNYQYISMNJD-UHFFFAOYSA-N;124.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191459;MM191459;CCCn1cc(N)cn1;DMDDBNVQWLCYMJ-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191460;MM191460;CCCn1cc(F)cn1;KOTATGVULTYFAN-UHFFFAOYSA-N;128.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191461;MM191461;CCNn1cc(C)cn1;BBBIVHAQUAMHGO-UHFFFAOYSA-N;125.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191462;MM191462;CN=c1nc(OC)[nH]o1;RIWBBFAPZNSBLX-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191463;MM191463;CCCn1cc(C)nn1;ZXLSJRXUAOMZTI-UHFFFAOYSA-N;125.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191464;MM191464;Nn1[nH]c(=NO)oc1=NO;NTBNDZACFWNQAV-UHFFFAOYSA-N;147.09;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191465;MM191465;CCCn1cc(F)nn1;WWTLFCWEVFCWIG-UHFFFAOYSA-N;129.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191466;MM191466;CCNn1cc(C)nn1;PWOAQDJEWCHJFG-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191467;MM191467;CCCn1ccc(C)n1;WQJIUWZNPQTHSH-UHFFFAOYSA-N;124.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191468;MM191468;CCCn1ccc(F)n1;UHAPDSCAUAJUAO-UHFFFAOYSA-N;128.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191469;MM191469;CCCn1cnc(C)n1;XXFHBLHRFZOKQU-UHFFFAOYSA-N;125.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191470;MM191470;COC(C=NN)=CNC=O;CSPCDLCVICUBRG-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191471;MM191471;CCCn1ncc(C)n1;LDLULBPNUVIKST-UHFFFAOYSA-N;125.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191472;MM191472;CC1=CC(CC=O)C=C1;ANUXDFUYARCXMT-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191473;MM191473;CC1=CC(CC#N)C=C1;UBQMVAKJHPMXGJ-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191474;MM191474;O=CCC1C=CC(F)=C1;QINQESRADLSVLD-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191475;MM191475;N#CCC1C=CC(F)=C1;LTDBPVHEJUDCRA-UHFFFAOYSA-N;123.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191476;MM191476;CC1=CC(NC=N)C=C1;UWMIXFIDNJEAKJ-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191477;MM191477;CC(O)C(N=CNN)=NN;HAPBXHOZAOJCLQ-UHFFFAOYSA-N;145.17;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191478;MM191478;C=COC1C=CC(F)=C1;UNSCOEZXWAOTHA-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191479;MM191479;C=CCn1ccc(C)c1;RLGCJJZWDUTHAA-UHFFFAOYSA-N;121.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191480;MM191480;Cc1ccn(CC#N)c1;NJBLJWKUALIXEK-UHFFFAOYSA-N;120.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191481;MM191481;C=CCn1ccc(N)c1;GYLJERBALYDKKI-UHFFFAOYSA-N;122.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191482;MM191482;N#CCn1ccc(N)c1;SJUCSRYHRKUHQZ-UHFFFAOYSA-N;121.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191483;MM191483;C=CCn1ccc(F)c1;KEYFBFQGORBQII-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191484;MM191484;N#CCn1ccc(F)c1;GMJCAJZKQMMCNP-UHFFFAOYSA-N;124.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191485;MM191485;Cc1ccn(NC=N)c1;OQQQHXJUBLYSDD-UHFFFAOYSA-N;123.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191486;MM191486;N=CNn1ccc(N)c1;OREHJYYFYQFCNM-UHFFFAOYSA-N;124.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191487;MM191487;N=CNn1ccc(F)c1;OJTCMQJZWUHGOJ-UHFFFAOYSA-N;127.12;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191488;MM191488;C=COn1ccc(C)c1;YWJWKUDSSTZVKG-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191489;MM191489;C=COn1ccc(N)c1;NRBYNTMUTPRAMU-UHFFFAOYSA-N;124.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191490;MM191490;C=COn1ccc(F)c1;LYTRYMQOVKEAPA-UHFFFAOYSA-N;127.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191491;MM191491;C=CCn1cnc(O)c1;FODQCMKBHMMIRK-UHFFFAOYSA-N;124.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191492;MM191492;N#CCn1cnc(O)c1;KAERBUJGXPHTLR-UHFFFAOYSA-N;123.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191493;MM191493;C=CCn1cnc(F)c1;OSARKAPQHUAVAJ-UHFFFAOYSA-N;126.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191494;MM191494;N#CCn1cnc(F)c1;NCMDWACQSOLEST-UHFFFAOYSA-N;125.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191495;MM191495;Cc1cn(NC=N)cn1;UOIDBYOYBPJGCD-UHFFFAOYSA-N;124.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191496;MM191496;N=CNn1cnc(N)c1;CWBCWYWUFKLWTB-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191497;MM191497;N=CNn1cnc(O)c1;SNFMEMNLBMYCLY-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191498;MM191498;N=CNn1cnc(F)c1;ZEJZRKRPIJCTDG-UHFFFAOYSA-N;128.11;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191499;MM191499;C=COn1cnc(C)c1;RXABCZQJVUMINR-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191500;MM191500;C=COn1cnc(N)c1;CZDTXSULVYEDIO-UHFFFAOYSA-N;125.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191501;MM191501;C=COn1cnc(O)c1;RKANMMIFHJXSIK-UHFFFAOYSA-N;126.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191502;MM191502;C=CCn1cc(C)cn1;CMIMWMCGDITRIE-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191503;MM191503;Cc1cnn(CC#N)c1;LRPWERNNRZKVSS-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191504;MM191504;C=CCn1cc(N)cn1;HICFDFBJQDRFIF-UHFFFAOYSA-N;123.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191505;MM191505;N#CCn1cc(N)cn1;XMHXCZMZXXAHRY-UHFFFAOYSA-N;122.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191506;MM191506;C=CCn1cc(F)cn1;KORQIGINAARSGB-UHFFFAOYSA-N;126.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191507;MM191507;N#CCn1cc(F)cn1;YSCBIEHUHRHXKH-UHFFFAOYSA-N;125.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191508;MM191508;N=CNn1cc(N)cn1;GGHQCGPNVVHFSB-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191509;MM191509;C=COn1cc(C)cn1;RNWQQFDXHYDIDY-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191510;MM191510;C=COn1cc(N)cn1;RTDUALSIEFYDFX-UHFFFAOYSA-N;125.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191511;MM191511;C=CCn1cc(C)nn1;IFVMYSVDHOLSPL-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191512;MM191512;Cc1cn(CC#N)nn1;QGRXLUCHGOCDHK-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191513;MM191513;Cc1ncn(O)c(=NN)n1;FOHCPDDQNHBANJ-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191514;MM191514;N#CCn1cc(N)nn1;BCLKHZADJPIMSU-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191515;MM191515;Cn1cc(O)oc(=O)c1=O;BVKGVBPOSMKOQI-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191516;MM191516;Cc1c(F)oc(=O)n1O;VEYRPDHKCCAGDP-UHFFFAOYSA-N;133.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191517;MM191517;C=CCn1cc(F)nn1;KELKAUIAPOLWSH-UHFFFAOYSA-N;127.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191518;MM191518;N#CCn1cc(F)nn1;FBUPGICFHIFSFU-UHFFFAOYSA-N;126.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191519;MM191519;C=COn1cc(C)nn1;AHPJRNJBFQARDE-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191520;MM191520;C=CCn1ccc(C)n1;AGWMRVUYLMQFPF-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191521;MM191521;C=CNC(=O)C(=NC)NN;IQKMJHCEKZSWHF-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191522;MM191522;C=CCn1ccc(F)n1;SLTFVTGUNDREBP-UHFFFAOYSA-N;126.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191523;MM191523;N#CCn1ccc(F)n1;JOGRTMPBNFTQCC-UHFFFAOYSA-N;125.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191524;MM191524;C=CCn1cnc(C)n1;WXGJIZMLKUBKDW-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191525;MM191525;Cc1ncn(CC#N)n1;GLMFMNHLULXLEF-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191526;MM191526;NN=CN(O)C(CO)=NN;NYWZMXLLKUQFLE-UHFFFAOYSA-N;147.14;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191527;MM191527;N#CCn1cnc(N)n1;BUDPACBTMUJEHX-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191528;MM191528;C=CCn1ncc(C)n1;NREXIBAYAYAMAO-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191529;MM191529;Cc1cnn(CC#N)n1;KLVHMKHFWQMOOS-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191530;MM191530;C=CCn1ncc(F)n1;ARUOQTCLALSFQD-UHFFFAOYSA-N;127.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191531;MM191531;N#CCn1ncc(F)n1;PSAFTHINHPECNB-UHFFFAOYSA-N;126.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191532;MM191532;C=CCn1nnc(C)n1;FKYLPYHIMVUWFZ-UHFFFAOYSA-N;124.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191533;MM191533;Cc1nnn(CC#N)n1;QGWKIKZQCCKLRZ-UHFFFAOYSA-N;123.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191534;MM191534;C=CCn1nnc(N)n1;QCCVPOWMSULONB-UHFFFAOYSA-N;125.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191535;MM191535;N#CCn1nnc(N)n1;MEQTVQVAFGUQRU-UHFFFAOYSA-N;124.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191536;MM191536;O=c1ocnn(O)c1=O;HQVZYRHYKDHAFS-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191537;MM191537;N#Cc1nnc(=O)n(O)n1;GKDFCOVKOWOTHH-UHFFFAOYSA-N;139.07;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191538;MM191538;C#CCC1C=CC(F)=C1;RGMSUGZKDMJQLL-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191539;MM191539;C#CCn1ccc(C)c1;PKVPNVWHOZSUOT-UHFFFAOYSA-N;119.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191540;MM191540;C#CCn1ccc(N)c1;RSTYHPZDURQLGQ-UHFFFAOYSA-N;120.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191541;MM191541;C#CCn1ccc(F)c1;AELHXIFCQPOEPH-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191542;MM191542;C#CCn1cnc(O)c1;MMYOGAOQSDLBGQ-UHFFFAOYSA-N;122.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191543;MM191543;C#CCn1cnc(F)c1;VSHCNEPZINSCTJ-UHFFFAOYSA-N;124.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191544;MM191544;C#CCn1cc(C)cn1;XWUYZMLNAOVXMI-UHFFFAOYSA-N;120.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191545;MM191545;C#CCn1cc(N)cn1;DZGQREXEJBZWOH-UHFFFAOYSA-N;121.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191546;MM191546;C#CCn1cc(F)cn1;FTCGCUCKXIZSIL-UHFFFAOYSA-N;124.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191547;MM191547;C#CCn1cc(C)nn1;CVORBLWAXAHJCV-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191548;MM191548;CC1Nc2c1cn(O)c2N;ZXPMVVYKYIXBBQ-UHFFFAOYSA-N;139.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191549;MM191549;N#Cc1nnn(O)c(=O)n1;LLAJDTLJSRGUCK-UHFFFAOYSA-N;139.07;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191550;MM191550;C#CCn1cc(F)nn1;DNQXVJAEXZBEQL-UHFFFAOYSA-N;125.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191551;MM191551;C#CCn1ccc(C)n1;QBMDLKBIGBCHFO-UHFFFAOYSA-N;120.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191552;MM191552;C#CCn1ccc(F)n1;IJTNNVSFWYLGQB-UHFFFAOYSA-N;124.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191553;MM191553;C#CCn1cnc(C)n1;OMRFKYXJOGMJDD-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191554;MM191554;N#CCC1NC1C(O)CO;BEIRLCLBENJWLO-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191555;MM191555;C#CCn1ncc(C)n1;RUAOLRXSQDRXCP-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191556;MM191556;C#CCn1ncc(F)n1;IGEONPSMGDNLPH-UHFFFAOYSA-N;125.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191557;MM191557;C#CCn1nnc(C)n1;AALPCSZCRJQTNT-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191558;MM191558;C#CCn1nnc(N)n1;YSDYWWOACGCZCW-UHFFFAOYSA-N;123.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191559;MM191559;Nc1c(O)oc(=O)n1O;RKYMVQBVNVTYGG-UHFFFAOYSA-N;132.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191560;MM191560;CC=CC1C=CC(F)=C1;GEGGOLZAJBUTDD-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191561;MM191561;CC=Cn1ccc(C)c1;WLYGXJOGMRHEGG-UHFFFAOYSA-N;121.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191562;MM191562;CC=Cn1ccc(N)c1;OIVKVMRAYXAZEG-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191563;MM191563;CC=Cn1ccc(O)c1;YFNOXPADZUXRQZ-UHFFFAOYSA-N;123.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191564;MM191564;CC=Cn1ccc(F)c1;HZLGIPRKEBMIGE-UHFFFAOYSA-N;125.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191565;MM191565;CN=Cn1ccc(C)c1;LILWRQZPYDFEPJ-UHFFFAOYSA-N;122.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191566;MM191566;CN=Cn1ccc(N)c1;VJHLHAPMFHMABO-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191567;MM191567;CC=Nn1ccc(C)c1;GPNPKHCJBPURFO-UHFFFAOYSA-N;122.17;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191568;MM191568;CC=Nn1ccc(N)c1;NFOFKLMIONBYJM-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191569;MM191569;CC=Nn1ccc(F)c1;VXWCDNOOUPIYQC-UHFFFAOYSA-N;126.13;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191570;MM191570;CC=Cn1cnc(C)c1;XMGLLWOGUZIRGO-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191571;MM191571;CC=Cn1cnc(N)c1;QBDLYOHFECUULS-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191572;MM191572;CC=Cn1cnc(O)c1;UKHNYINWGZZZHC-UHFFFAOYSA-N;124.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191573;MM191573;CC=Cn1cnc(F)c1;CUPZNOPHZVQIJC-UHFFFAOYSA-N;126.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191574;MM191574;CN=Cn1cnc(N)c1;QSSSNFFSQNYCGR-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191575;MM191575;N#CCN1CC1C(O)CO;XRLUVMVWUWMWJW-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191576;MM191576;CN=Cn1cnc(F)c1;VVCTWEVXBZVOPE-UHFFFAOYSA-N;127.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191577;MM191577;CC=Nn1cnc(N)c1;FJTJWQFHSKJBFK-UHFFFAOYSA-N;124.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191578;MM191578;CC=Cn1cc(C)cn1;WOITUZWJUQCGQY-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191579;MM191579;CC=Cn1cc(N)cn1;DTWHVFBFKLEGTK-UHFFFAOYSA-N;123.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191580;MM191580;O=c1n(O)cc(O)n1O;OZPKVDSJQIFITB-UHFFFAOYSA-N;132.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191581;MM191581;CC=Cn1cc(F)cn1;SRFBGVITEPTGKP-UHFFFAOYSA-N;126.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191582;MM191582;CN=Cn1cc(C)cn1;UPFOTSSQHQSBMK-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191583;MM191583;CC=Nn1cc(C)cn1;NBMCDNWCKMLBTL-UHFFFAOYSA-N;123.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191584;MM191584;CC=Nn1cc(N)cn1;JDDXURSWQLMGJY-UHFFFAOYSA-N;124.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191585;MM191585;CC=Cn1cc(C)nn1;QJEMPGWXUSLMJH-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191586;MM191586;C#CCC1NC1C(O)CO;FQNLZBDCHUZQNT-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191587;MM191587;CN=c1nnn(O)c(=O)o1;PEGIQEKSWGXCMS-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191588;MM191588;CC=Cn1cc(F)nn1;IYUCQVSTJPGBCH-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191589;MM191589;CN=Cn1cc(C)nn1;XYHFPXMMWMZPJR-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191590;MM191590;CC=Nn1cc(C)nn1;OHXRRKYKAQSYJJ-UHFFFAOYSA-N;124.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191591;MM191591;CC(C)(C)C(O)C=NN;ADIKHLYZHLALOU-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191592;MM191592;CC=Cn1ccc(C)n1;FVXWZGNPDFVSGC-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191593;MM191593;CC=Cn1ccc(F)n1;ZHIQZNVSHORCKB-UHFFFAOYSA-N;126.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191594;MM191594;CN=Cn1ccc(C)n1;HZVSAVLLLPUAHS-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191595;MM191595;CC=Nn1ccc(C)n1;OHIYMBUCQFOELQ-UHFFFAOYSA-N;123.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191596;MM191596;CC=Nn1ccc(F)n1;HAQYNQYMWIVADG-UHFFFAOYSA-N;127.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191597;MM191597;CC=Cn1cnc(C)n1;YDVGUEWTZXAECW-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191598;MM191598;C=NNCC(C)(O)CO;ZURPWQBGUPTYFX-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191599;MM191599;CC=Nn1cnc(C)n1;IDPMHRFUNUYWCQ-UHFFFAOYSA-N;124.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191600;MM191600;C=C(C)OC(CO)=NN;OLWOYOZHMUJFCX-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191601;MM191601;Oc1c(O)c(F)n(O)c1O;UCDBZDOGSNGQAX-UHFFFAOYSA-N;149.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191602;MM191602;CC=Cn1ncc(C)n1;WZJKVQJSDSTXIU-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191603;MM191603;CC=Cn1ncc(F)n1;SFDMAJSHYFYTDU-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191604;MM191604;CC=Cn1nnc(C)n1;OJDKZZRKAMRRTI-UHFFFAOYSA-N;124.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191605;MM191605;CC=Cn1nnc(N)n1;CDHZIXIJQOMOIG-UHFFFAOYSA-N;125.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191606;MM191606;N=c1nnn(O)c(=O)o1;RLJBZFWKWRCKLI-UHFFFAOYSA-N;130.06;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191607;MM191607;CC#CC1C=CC(C)=C1;RGXCDNPXKWEQOX-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191608;MM191608;CC#CC1C=CC(F)=C1;DVUNWEOAOKXBKB-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191609;MM191609;CCC=C1C=CC(C)=C1;ADRHLOCWTLLYFB-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191610;MM191610;CC1=CC(=CCN)C=C1;FNUWQTVYVYCKJW-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191611;MM191611;CC1=CC(=CCO)C=C1;KDQLGVWKNACNOG-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191612;MM191612;CCC=C1C=CC(F)=C1;KUVPJCOJUFWXSV-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191613;MM191613;NCC=C1C=CC(F)=C1;ZAFYKXGLYNRJQI-UHFFFAOYSA-N;125.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191614;MM191614;OCC=C1C=CC(F)=C1;RHYHPXYRMIQZHK-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191615;MM191615;COC=C1C=CC(C)=C1;SUBGXINTNURRCY-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191616;MM191616;CNN=C1C=CC(C)=C1;UNADVAHLUHQDHX-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191617;MM191617;CN(O)C(=N)C(=O)CO;GXYMENPBPSMWHC-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191618;MM191618;N=C1C(O)CCN1C=O;GKWKPITZXGWANP-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191619;MM191619;CCN=C1C=C(C)C=N1;QVGSFUGKEBOMJB-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191620;MM191620;CCN=C1C=C(F)C=N1;SVKQQRMXUCKIJX-UHFFFAOYSA-N;126.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191621;MM191621;CCN=C1C=CC(C)=N1;IDXLQDUADSFZTB-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191622;MM191622;CCN=C1C=NC(C)=N1;AQPHXYCGSVJDSG-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191623;MM191623;CCN1N=CC(C)C1=O;XGVLNCFSQBPGES-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191624;MM191624;CCN=C1N=CC(C)=N1;MKMMFFQMEOSOIS-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191625;MM191625;C=CC=C1C=CC(C)=C1;YFOQTJUNPDYAAD-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191626;MM191626;CC1=CC(=CC=O)C=C1;YZCMBQOSPFMBAO-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191627;MM191627;CC1=CC(=CC#N)C=C1;OCCODGLEMDGZJX-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191628;MM191628;C=CC=C1C=CC(F)=C1;FZSSDIALIOTYRW-UHFFFAOYSA-N;122.14;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191629;MM191629;O=CC=C1C=CC(F)=C1;FUNJVHWSKXRGAL-UHFFFAOYSA-N;124.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191630;MM191630;N#CC=C1C=CC(F)=C1;ILYZJXBRFJXJJO-UHFFFAOYSA-N;121.11;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191631;MM191631;C=NN=C1C=CC(C)=C1;CLRVBIMALXZEDQ-UHFFFAOYSA-N;120.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191632;MM191632;C=NN=C1C=CC(N)=C1;HXGREAMNTPYCQV-UHFFFAOYSA-N;121.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191633;MM191633;C=NN=C1C=CC(F)=C1;UVLSUPNEDZLVEW-UHFFFAOYSA-N;124.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191634;MM191634;C=NN=C1C=NC(C)=C1;BLDCAGVXLRZDIK-UHFFFAOYSA-N;121.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191635;MM191635;C=NN=C1C=NC(N)=C1;RWOKNYHJBCYYOB-UHFFFAOYSA-N;122.13;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191636;MM191636;CC1=CC(=CC#N)N=C1;LWOFQPKLLRAVOL-UHFFFAOYSA-N;118.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191637;MM191637;O=CC=C1C=C(F)C=N1;YRTFMWWQZIWFDQ-UHFFFAOYSA-N;125.1;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191638;MM191638;N#CC=C1C=C(F)C=N1;BIYSYJWZMRHAMB-UHFFFAOYSA-N;122.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191639;MM191639;CC1=CC(=NC=N)N=C1;OQRMYLUOKOCREU-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191640;MM191640;N=CN=C1C=C(N)C=N1;XKUMAEMRBNNBRC-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191641;MM191641;NC1=CC(=NC=O)N=C1;MTCLVIGSTVBVGO-UHFFFAOYSA-N;123.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191642;MM191642;N=CN=C1C=C(F)C=N1;WVUGHGXQDKWIQK-UHFFFAOYSA-N;125.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191643;MM191643;C=NN=C1C=C(C)C=N1;UWWLCCUOYNGBTN-UHFFFAOYSA-N;121.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191644;MM191644;C=NN=C1C=C(N)C=N1;ZQYBKZAMRDJOTE-UHFFFAOYSA-N;122.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191645;MM191645;C=NN=C1C=C(F)C=N1;ZBRPSIXJSJOBMK-UHFFFAOYSA-N;125.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191646;MM191646;CC1=NC(=CC=O)C=C1;NSOFJBCQDHFGGW-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191647;MM191647;CC1=NC(=CC#N)C=C1;ITELVFBARHACKM-UHFFFAOYSA-N;118.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191648;MM191648;CC1=NC(=NC=N)C=C1;VXFKZHPTCOQFCI-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191649;MM191649;CC1=NC(=NC=O)C=C1;JUBFPWRSLUJYIN-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191650;MM191650;C=NN=C1C=CC(C)=N1;JCJQESOYZAMLFL-UHFFFAOYSA-N;121.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191651;MM191651;CC1=NC(=CC=O)C=N1;BQPWAPRRNYOOPZ-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191652;MM191652;CC1=NC(=CC#N)C=N1;QMRICAWTGXDIDL-UHFFFAOYSA-N;119.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191653;MM191653;CC1=NC(=NC=N)C=N1;YYLNJYFVMSACCY-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191654;MM191654;CC1=NC(=NC=O)C=N1;WQNQHDWSZVXPBO-UHFFFAOYSA-N;123.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191655;MM191655;C=NN=C1C=NC(C)=N1;MBWRAFLXXDTLMT-UHFFFAOYSA-N;122.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191656;MM191656;CC1=NC(=CC=O)N=C1;FULMIIMZKYTESI-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191657;MM191657;CC1=NC(=CC#N)N=C1;BQHUUXSEJMWRLU-UHFFFAOYSA-N;119.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191658;MM191658;CC1=NC(=NC=N)N=C1;NKOKMFWAIIIORG-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191659;MM191659;C=NN=C1N=CC(C)=N1;IKXYVGCWHIZFKD-UHFFFAOYSA-N;122.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191660;MM191660;C#CC=C1C=CC(C)=C1;RQPJHXYJIFIVNZ-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191661;MM191661;C#CC=C1C=CC(F)=C1;DDSPRUDTAPBIOH-UHFFFAOYSA-N;120.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191662;MM191662;CCCC1=CCC(C)=C1;VQGOUCKJQJGDBV-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191663;MM191663;CC1=CC(CCN)=CC1;SDBNZAPKPJVYLB-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191664;MM191664;CCCC1=CCC(F)=C1;LAQMSGKPKKPFKI-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191665;MM191665;NCCC1=CCC(F)=C1;NAMRSCOMCYOMBF-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191666;MM191666;CNCC1=CCC(C)=C1;XOYCBMWREOIGNZ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191667;MM191667;CNCC1=CCC(F)=C1;FYNKTPRBWPMRKO-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191668;MM191668;CCOC1=CCC(C)=C1;BZTFRUOCRMBAMK-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191669;MM191669;CCOC1=CCC(F)=C1;ICKIEABCVSXZNO-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191670;MM191670;CCCc1c[nH]c(C)c1;OHQCYBOIBPCSSC-UHFFFAOYSA-N;123.2;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191671;MM191671;Cc1cc(CCN)c[nH]1;VDKJXUVVHRIMDE-UHFFFAOYSA-N;124.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191672;MM191672;C#CC1C=NN(C)C1=N;VGKIWSWEUPIRMO-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191673;MM191673;NCCc1c[nH]c(N)c1;SKHHNIXCDCJVEQ-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191674;MM191674;CCCc1c[nH]c(O)c1;JMGCOXSCWSOJFR-UHFFFAOYSA-N;125.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191675;MM191675;NCCc1c[nH]c(O)c1;HOXBXRTUTSJMPQ-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191676;MM191676;OCCc1c[nH]c(O)c1;ALVXXAGHWYIEFP-UHFFFAOYSA-N;127.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191677;MM191677;CCCc1c[nH]c(F)c1;FCGMVJLYHTXNEB-UHFFFAOYSA-N;127.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191678;MM191678;NCCc1c[nH]c(F)c1;SOCZBCDWIFIPNF-UHFFFAOYSA-N;128.15;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191679;MM191679;CNCc1c[nH]c(C)c1;LWFHOEINWOROBJ-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191680;MM191680;CNCc1c[nH]c(N)c1;MIKFEVHABQYRNG-UHFFFAOYSA-N;125.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191681;MM191681;CNCc1c[nH]c(O)c1;DJICINIWMUSIOM-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191682;MM191682;CNCc1c[nH]c(F)c1;HGPWXBDXYXGHBI-UHFFFAOYSA-N;128.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191683;MM191683;CNc1c[nH]c(OC)n1;BEBUOCASQJGVFB-UHFFFAOYSA-N;127.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191684;MM191684;CCN1CC1C(F)C=O;RVMOQTFBLZDKRX-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191685;MM191685;CCNc1c[nH]c(O)c1;ICVPJUGWGCZYHA-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191686;MM191686;CC(O)(CO)CN(N)C=O;ILKKARLOEAPSTG-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191687;MM191687;CCOc1c[nH]c(C)c1;BEJALFHVOIEFGN-UHFFFAOYSA-N;125.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191688;MM191688;C=NN(C)CC(C)(O)CO;BJVOVVKMNGMTNF-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191689;MM191689;CCOc1c[nH]c(O)c1;WOBJWSZBXFOZJO-UHFFFAOYSA-N;127.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191690;MM191690;CCOc1c[nH]c(F)c1;YZTNCDXPQNXFKY-UHFFFAOYSA-N;129.13;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191691;MM191691;CCCc1coc(C)c1;HSJWRRXXHAPKKV-UHFFFAOYSA-N;124.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191692;MM191692;Cc1cc(CCN)co1;WXIJHOZTSQJVHW-UHFFFAOYSA-N;125.17;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191693;MM191693;CCCc1coc(N)c1;WYCKIMYEJMKBQM-UHFFFAOYSA-N;125.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191694;MM191694;NCCc1coc(N)c1;VLPKSCLZKRJFIA-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191695;MM191695;CCCc1coc(F)c1;FUIVZLWUPFFGBD-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191696;MM191696;NCCc1coc(F)c1;VBJZQGSTWJGDIE-UHFFFAOYSA-N;129.13;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191697;MM191697;CNCc1coc(C)c1;FSPMQXZDGAFAJG-UHFFFAOYSA-N;125.17;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191698;MM191698;CCNc1coc(C)c1;QKVGZJKXRKGTRX-UHFFFAOYSA-N;125.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191699;MM191699;CCNc1coc(N)c1;JVYWCIXAIPKZCU-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191700;MM191700;CCNc1coc(F)c1;LVBXWJKPRHWAHR-UHFFFAOYSA-N;129.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191701;MM191701;CCOc1coc(C)c1;IDBTZAYSQDGDQB-UHFFFAOYSA-N;126.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191702;MM191702;CCOc1coc(N)c1;WMIVIZFPNRBYOG-UHFFFAOYSA-N;127.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191703;MM191703;CNN=CC(O)C(C)(C)C;OZTVSBKDAKHRDW-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191704;MM191704;Cc1cc(CCN)[nH]n1;TXHATVNPKQCJMW-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191705;MM191705;C=NOCC(O)C=C(F)F;LGEPGGPUDLYBQV-UHFFFAOYSA-N;151.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191706;MM191706;NCCc1cc(N)[nH]n1;VBSPGHAUOXAFOH-UHFFFAOYSA-N;126.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191707;MM191707;O=c1nccc(O)n1O;UOTWBOFETOPGQA-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191708;MM191708;CCCc1cc(F)[nH]n1;BNOGGFWBVJPJTR-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191709;MM191709;NCCc1cc(F)[nH]n1;MTJVNJGFVCJQOY-UHFFFAOYSA-N;129.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191710;MM191710;CCCc1cc(C)on1;ZYHSPHQOSBGAIT-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191711;MM191711;Cc1cc(CCN)no1;HBDLQCGZQMJSNW-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191712;MM191712;CCCc1cc(=N)o[nH]1;LIGDPUZLTRKNQN-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191713;MM191713;Cc1cnc(=O)n(O)c1O;ARUUSTOTMCWPAU-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191714;MM191714;CCCc1cc(F)on1;JBPDGMPAHWUJLA-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191715;MM191715;NCCc1cc(F)on1;HNBJABXVUZSQJB-UHFFFAOYSA-N;130.12;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191716;MM191716;CCCc1c[nH]c(N)n1;CRNVERBWFRVMRA-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191717;MM191717;NCCc1c[nH]c(N)n1;PDWGQCUSLDPUFM-UHFFFAOYSA-N;126.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191718;MM191718;CCCc1c[nH]c(O)n1;XVRUDUVVABJXSC-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191719;MM191719;NCCc1c[nH]c(O)n1;IPBJEUVWFPXMCE-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191720;MM191720;CCNc1c[nH]c(O)n1;YBKIUTJDSQQBEN-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191721;MM191721;CCCc1coc(C)n1;RNLOKHYLXARFPN-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191722;MM191722;Cc1nc(CCN)co1;VQAPYBXJPGJFFQ-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191723;MM191723;C=C(C)OC(CO)=NNC;ZKWUSEQAJGLLFZ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191724;MM191724;CCCc1coc(F)n1;ONGWKXFQQZJHKS-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191725;MM191725;Cc1nc(=N)nc(CO)o1;WPKZFFDTHBGUAP-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191726;MM191726;NC(=O)ON=CNCC=O;ITSYLCUSKRCISN-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191727;MM191727;CCNc1coc(F)n1;UNACDUHHDHABHP-UHFFFAOYSA-N;130.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191728;MM191728;C=CCN(N)C(=O)C(N)=O;MINJUJCKSTXRGD-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191729;MM191729;N#CC(=NO)OCC(N)=O;LWHHPCSNUQIHFN-UHFFFAOYSA-N;143.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191730;MM191730;C#CCC(=O)C(=O)C(=N)N;PXJFRJDEMSYQHA-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191731;MM191731;Cc1nc(=O)[nH]nnc1=N;LEVYMBYGBKKDBF-UHFFFAOYSA-N;139.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191732;MM191732;CCCc1noc(C)n1;BHEWJAIXUMSOCL-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191733;MM191733;CCCc1noc(N)n1;ABKCLDKWJYGEKU-UHFFFAOYSA-N;127.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191734;MM191734;CN=c1n(O)oc(=O)n1O;CYCZGEYLEAVLTE-UHFFFAOYSA-N;147.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191735;MM191735;CCCc1noc(F)n1;HUUCLMOYSNLRGU-UHFFFAOYSA-N;130.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191736;MM191736;CCC(=NO)C(CF)=NO;ZZVJKJMCDUPKRD-UHFFFAOYSA-N;148.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191737;MM191737;C=CCC1=CCC(C)=C1;NTPVKSOSGOIARH-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191738;MM191738;CC1=CC(CC=O)=CC1;DONXQPWGNAKWNZ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191739;MM191739;CC1=CC(CC#N)=CC1;IWXUQMGMEOTCEV-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191740;MM191740;C=CCC1=CCC(F)=C1;DMFLSZGTDAKIBA-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191741;MM191741;O=CCC1=CCC(F)=C1;GUWBCNSRWLNGOE-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191742;MM191742;N#CCC1=CCC(F)=C1;FKVFSWNBCOGISD-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191743;MM191743;CC1=CC(NC=N)=CC1;VXSCAFBFCZGTNR-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191744;MM191744;CC1=CC(NC=O)=CC1;HILKXMMLOZFTFO-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191745;MM191745;N=CNC1=CCC(F)=C1;HOVWKUWRWBIQRB-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191746;MM191746;O=CNC1=CCC(F)=C1;BITOUAZOXBYLIB-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191747;MM191747;C=COC1=CCC(C)=C1;LFYBDEXJUIFFKM-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191748;MM191748;C=COC1=CCC(F)=C1;XPNKOBQMMMXCDE-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191749;MM191749;C=CCc1c[nH]c(C)c1;OARBQHLVYJSSAZ-UHFFFAOYSA-N;121.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191750;MM191750;Cc1cc(CC=O)c[nH]1;MMAVMYXNAKOAOM-UHFFFAOYSA-N;123.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191751;MM191751;Cc1cc(CC#N)c[nH]1;REFSYRDXISBOMM-UHFFFAOYSA-N;120.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191752;MM191752;CC(C(N)=O)C(O)C=NN;HQHKIEKUTFXAOL-UHFFFAOYSA-N;145.16;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191753;MM191753;CNC(C#N)(CO)C(N)=O;YJCHNMBXAUTGPW-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191754;MM191754;C=C(CC)OC(CO)=NN;UKHXZVNCTKQCLB-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191755;MM191755;C=CCc1c[nH]c(O)c1;INWNOUGKBPRMGS-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191756;MM191756;O=CCc1c[nH]c(O)c1;ZBJTVFGNYNLIGG-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191757;MM191757;N#CCc1c[nH]c(O)c1;OUHZUEWKMHUQBR-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191758;MM191758;C=CCc1c[nH]c(F)c1;RHFHHUCIOJXGIR-UHFFFAOYSA-N;125.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191759;MM191759;O=CCc1c[nH]c(F)c1;AAVJALQBGALLRD-UHFFFAOYSA-N;127.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191760;MM191760;N#CCc1c[nH]c(F)c1;XMUDNDSHYIQOPD-UHFFFAOYSA-N;124.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191761;MM191761;Cc1cc(NC=N)c[nH]1;LMMMFUSPHTZZGB-UHFFFAOYSA-N;123.16;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191762;MM191762;Cc1cc(NC=O)c[nH]1;QXNQZIVRWNANMK-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191763;MM191763;N=CNc1c[nH]c(N)c1;NKKBWFQVTAXTRP-UHFFFAOYSA-N;124.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191764;MM191764;CCC(O)C(F)C(=N)NN;IRQVXQPHISLIOC-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191765;MM191765;N=CNc1c[nH]c(O)c1;XWYJSQQSFLDNGZ-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191766;MM191766;O=CNc1c[nH]c(O)c1;RGZWYDNYEMOAJB-UHFFFAOYSA-N;126.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191767;MM191767;C=COc1c[nH]c(C)c1;VOZSXGPTKZMVFA-UHFFFAOYSA-N;123.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191768;MM191768;N=C(C=O)N(O)C(=N)CF;QSJZMEWPVFWAHW-UHFFFAOYSA-N;147.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191769;MM191769;C=COc1c[nH]c(O)c1;TWCYVJJIZAYAKZ-UHFFFAOYSA-N;125.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191770;MM191770;C=COc1c[nH]c(F)c1;KUVYJMSOCCPWQS-UHFFFAOYSA-N;127.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191771;MM191771;C=CCc1coc(C)c1;FGSXHFVEEHWDSQ-UHFFFAOYSA-N;122.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191772;MM191772;Cc1cc(CC=O)co1;HFQSSYZFZHCIIA-UHFFFAOYSA-N;124.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191773;MM191773;Cc1cc(CC#N)co1;UEQAAZJIVGGISK-UHFFFAOYSA-N;121.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191774;MM191774;C=CCc1coc(N)c1;HUHURRBONBKAAK-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191775;MM191775;Nc1cc(CC=O)co1;NFUVPNCBDHBXHO-UHFFFAOYSA-N;125.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191776;MM191776;N#CCc1coc(N)c1;XFXRPHVMLPPYAY-UHFFFAOYSA-N;122.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191777;MM191777;C=CCc1coc(F)c1;HAYQYEOZVMPUKS-UHFFFAOYSA-N;126.13;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191778;MM191778;N#CCc1coc(F)c1;RTZUBIPBKZGXOV-UHFFFAOYSA-N;125.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191779;MM191779;Cc1cc(NC=O)co1;IXDUTXKHZTTYDT-UHFFFAOYSA-N;125.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191780;MM191780;ON=c1ccnc(O)n1O;PGGBABMHHYITIY-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191781;MM191781;C=COc1coc(C)c1;DZFSFHQTLWFVMD-UHFFFAOYSA-N;124.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191782;MM191782;C=COc1coc(N)c1;PYRVKYPOZPFJCY-UHFFFAOYSA-N;125.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191783;MM191783;C#Cc1n[nH]c(C)c1O;AWRVXBAHISJJQZ-UHFFFAOYSA-N;122.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191784;MM191784;C=COc1coc(F)c1;GZOXQTXIERLHND-UHFFFAOYSA-N;128.1;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191785;MM191785;C=CN=C1C=C(C)CN1;ZEIGXKXAANOVPH-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191786;MM191786;C=CN=C1C=C(N)CN1;JIFLYHDEKHXLJW-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191787;MM191787;C=C(OC)N(O)C(C)=NN;WNSHGJKHRDHKCT-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191788;MM191788;COC=CC(O)C=NOC;KNMSFPAXPAOPCH-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191789;MM191789;CC=COC(CO)=NNC;DTYOBEGXECCHQP-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191790;MM191790;C=COC(CO)=NNCC;PQUHRDPRLBDXKH-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191791;MM191791;OCc1cc(=NO)n(O)[nH]1;IKJXRLHVCKELMK-UHFFFAOYSA-N;145.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191792;MM191792;N#CCc1nc(=N)o[nH]1;JIXZVDFPDNKGQI-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191793;MM191793;C=CCc1cc(F)n[nH]1;YJTDIEXJSSPAKY-UHFFFAOYSA-N;126.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191794;MM191794;N#CCc1cc(F)n[nH]1;SNOZVFNQJOZNSO-UHFFFAOYSA-N;125.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191795;MM191795;CNC(C(N)=O)C(F)C#N;ZBIBJUIGYRVTIC-UHFFFAOYSA-N;145.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191796;MM191796;CN=C(C(=O)CO)N(C)O;PVNILZDQSGPCEP-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191797;MM191797;COc1nc(=N)cn[nH]1;JXKLAILVUBXWEZ-UHFFFAOYSA-N;126.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191798;MM191798;C=CCc1cc(C)on1;UWYZAQYWUGBLNO-UHFFFAOYSA-N;123.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191799;MM191799;Cc1cc(CC#N)no1;FMCBKOOPDBRCGZ-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191800;MM191800;C=CCc1cc(=N)o[nH]1;YBRJYCHRNCQDLD-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191801;MM191801;Cc1nn(O)c(=O)c(=O)o1;JZDZEGCMAVWWHO-UHFFFAOYSA-N;144.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191802;MM191802;NN=c1nnn(O)c(=O)o1;WLXLXMFYUNQCSN-UHFFFAOYSA-N;145.08;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191803;MM191803;C=CCc1cc(F)on1;IPCFOOMWDMLREP-UHFFFAOYSA-N;127.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191804;MM191804;N#CCc1cc(F)on1;YKZFXGGKCACCIA-UHFFFAOYSA-N;126.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191805;MM191805;C=COc1cc(C)on1;HRNCTOGFHIWPQL-UHFFFAOYSA-N;125.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191806;MM191806;Cc1c(F)c(=N)n(O)n1N;NIIDJLOBGQFUKB-UHFFFAOYSA-N;146.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191807;MM191807;NN=c1onnn(O)c1=O;TZDGNBXTVFYRLE-UHFFFAOYSA-N;145.08;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191808;MM191808;C=COc1cc(F)on1;NZDCYDGPPURDGL-UHFFFAOYSA-N;129.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191809;MM191809;C=CCc1c[nH]c(N)n1;FDRBDLCMQINYOY-UHFFFAOYSA-N;123.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191810;MM191810;C=CCc1c[nH]c(O)n1;LHFHTLYEDSIWGQ-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191811;MM191811;N#CCc1c[nH]c(O)n1;ZCDCRKKFGWGQLT-UHFFFAOYSA-N;123.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191812;MM191812;N=c1c(=O)ccn(N)n1O;GAGDMWAOCNNLEN-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191813;MM191813;COC(CO)ON=CCO;XMPJIVANBXATDC-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191814;MM191814;C=COc1c[nH]c(O)n1;QPQNLFHYUZPFJP-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191815;MM191815;C=CCc1coc(C)n1;YGUPXQLOGIQYAC-UHFFFAOYSA-N;123.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191816;MM191816;Cc1nc(CC#N)co1;WYPZNJNOPIFFMQ-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191817;MM191817;CNN=COC(CO)=NN;FQPAMMNDMOKSJD-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191818;MM191818;N#CCc1coc(N)n1;XUJFXIJXLKEWMG-UHFFFAOYSA-N;123.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191819;MM191819;C=CCc1coc(F)n1;ZTIQQGCWQKXZMH-UHFFFAOYSA-N;127.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191820;MM191820;N#CCc1coc(F)n1;QTKBRQHTXHIWPA-UHFFFAOYSA-N;126.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191821;MM191821;Cc1nc(NC=N)co1;ZQWDZLXOXFEROY-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191822;MM191822;C#CC(=NN)C(C)NC=O;PVGGSUPXWNFBSU-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191823;MM191823;N=CNc1coc(F)n1;PTSDBPIUPUMTRW-UHFFFAOYSA-N;129.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191824;MM191824;C=COc1coc(C)n1;YQQZCEFTLQPMRJ-UHFFFAOYSA-N;125.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191825;MM191825;C=COc1coc(N)n1;WUHFUCRPJPJBGN-UHFFFAOYSA-N;126.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191826;MM191826;C=CCc1n[nH]c(N)n1;TZDOPUDUQDFULL-UHFFFAOYSA-N;124.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191827;MM191827;N=c1nc(F)oc(=O)[nH]1;MNVRHFGIMQKNHW-UHFFFAOYSA-N;131.07;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191828;MM191828;NN=c1oncn(O)c1=O;OPDPOHXHTKZTGR-UHFFFAOYSA-N;144.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191829;MM191829;C=COc1n[nH]c(N)n1;VSFMLSIHOUGTGE-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191830;MM191830;C=CCc1noc(C)n1;XYHDLMIHIONMEX-UHFFFAOYSA-N;124.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191831;MM191831;Cc1nc(CC#N)no1;WHRPQCILPFDUQL-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191832;MM191832;C=CCc1noc(N)n1;OFAMGKOGSAJZTK-UHFFFAOYSA-N;125.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191833;MM191833;N#CCc1noc(N)n1;JIXZVDFPDNKGQI-UHFFFAOYSA-N;124.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191834;MM191834;Cn1nnn(O)c(=O)c1=O;UBZNUCULVLQTRV-UHFFFAOYSA-N;144.09;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191835;MM191835;O=CON=c1occ(O)o1;XMFHLZMWYVUHRB-UHFFFAOYSA-N;145.07;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191836;MM191836;C=CCc1noc(F)n1;CLOQTSLZLTXNQL-UHFFFAOYSA-N;128.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191837;MM191837;N#CCc1noc(F)n1;UXTYQCDRYWCQAO-UHFFFAOYSA-N;127.08;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191838;MM191838;O=c1oc(=NO)nnn1O;KHXBDKKKTMBEEG-UHFFFAOYSA-N;146.06;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191839;MM191839;C#CCC1=CCC(C)=C1;QNSSUJZHIIBGKT-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191840;MM191840;C#CCC1=CCC(F)=C1;NISCNVHWEZOOHT-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191841;MM191841;C#CCc1c[nH]c(C)c1;GPAJRQSUZLNLQV-UHFFFAOYSA-N;119.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191842;MM191842;CN=CN(O)C(=NN)NO;QWVNDMKQYDIYSN-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191843;MM191843;C#CCc1c[nH]c(O)c1;PNZQKNVTQGBPHP-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191844;MM191844;C#CCc1c[nH]c(F)c1;UJWXTJHQYDHNTN-UHFFFAOYSA-N;123.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191845;MM191845;C#CCc1coc(C)c1;HLRJNYQVWWPWRR-UHFFFAOYSA-N;120.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191846;MM191846;C#CCc1coc(N)c1;VVRQPTNKUCYIJG-UHFFFAOYSA-N;121.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191847;MM191847;C#CCc1coc(F)c1;MNBUUEMRYSCVKI-UHFFFAOYSA-N;124.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191848;MM191848;C#CC1C=CC(=NN=C)N1;HDXCDPOKIUFVAJ-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191849;MM191849;C#Cc1nnc(CO)n1N;WDPPQRHKKMNCAH-UHFFFAOYSA-N;138.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191850;MM191850;C=C(CC(C#N)=NO)OC;NWMYKYGKJPKBQQ-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191851;MM191851;C#CCc1cc(F)n[nH]1;RKCAPLFFKHZAFA-UHFFFAOYSA-N;124.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191852;MM191852;C#CCc1cc(C)on1;WNDXZMDHYSYTFH-UHFFFAOYSA-N;121.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191853;MM191853;C#CCc1cc(=N)o[nH]1;HYVADPNFOLGHOD-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191854;MM191854;CC(=NO)C(F)C(=O)CF;YINABIJKLFGTJX-UHFFFAOYSA-N;151.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191855;MM191855;C#CCc1cc(F)on1;GQEUZMXVAIEEQK-UHFFFAOYSA-N;125.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191856;MM191856;C#CCc1c[nH]c(N)n1;SCXAQOCJECZCIC-UHFFFAOYSA-N;121.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191857;MM191857;C#CCc1c[nH]c(O)n1;KQUXQSFWTBZNLL-UHFFFAOYSA-N;122.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191858;MM191858;C#CCc1coc(C)n1;PCCCYVYHBHIWRT-UHFFFAOYSA-N;121.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191859;MM191859;C=CCN1CC1C(F)C=O;UJHIAOKWDCVNKI-UHFFFAOYSA-N;143.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191860;MM191860;C#CCc1coc(F)n1;TXSBIOHEXXPHDX-UHFFFAOYSA-N;125.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191861;MM191861;C#CCc1n[nH]c(N)n1;IKAFOYMBQQDHGS-UHFFFAOYSA-N;122.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191862;MM191862;N#CC(O)(C=NO)CCO;YJMOKYDJSFYCPD-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191863;MM191863;C#CCc1noc(C)n1;ZJFCXHQJVFNOGW-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191864;MM191864;C#CCc1noc(N)n1;CGUIVIHJEZXQCE-UHFFFAOYSA-N;123.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191865;MM191865;C=NOC(=NO)C(O)CO;TVDCBDXUVNFOJF-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191866;MM191866;C#CCc1noc(F)n1;JVIAJMVLSVZZRC-UHFFFAOYSA-N;126.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191867;MM191867;CC=CC1=CCC(C)=C1;RWSNDZVSVFHOSC-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191868;MM191868;CC=CC1=CCC(F)=C1;ZPRDNIOAMZKUDN-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191869;MM191869;OCC1OCC(NO)=NO1;ZNHMZOQJDGBBOH-UHFFFAOYSA-N;148.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191870;MM191870;CNc1ncc(CO)nn1;YQJCEGHTEYFFKU-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191871;MM191871;CC=Cc1c[nH]c(C)c1;GTVKIIKEBOYXIU-UHFFFAOYSA-N;121.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191872;MM191872;N#CC1NCC1O;BLDLAQVZEQJDGD-UHFFFAOYSA-N;98.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191873;MM191873;CC=Cc1c[nH]c(O)c1;YHQSHGXEQHCTSY-UHFFFAOYSA-N;123.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191874;MM191874;CC=Cc1c[nH]c(F)c1;JBAKPOWSDULRLD-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191875;MM191875;CC1C=NN(C)C1=O;MXOJCJMABJVNNA-UHFFFAOYSA-N;112.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191876;MM191876;CN1CC1C(F)C=O;NDDQVZQIOZASNI-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191877;MM191877;NN=Cc1c[nH]c(F)c1;ZIFBTMHURPRMBA-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191878;MM191878;CC=Cc1coc(C)c1;JZYMJKVISVVJHA-UHFFFAOYSA-N;122.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191879;MM191879;CC=Cc1coc(N)c1;MQUXEJOFDIBFFD-UHFFFAOYSA-N;123.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191880;MM191880;CC=Cc1coc(F)c1;DGMBWHRWOLDDSH-UHFFFAOYSA-N;126.13;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191881;MM191881;Cc1cc(C=NN)co1;RAEJORUTVYEWGJ-UHFFFAOYSA-N;124.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191882;MM191882;N=c1c(F)cn(N)n1O;HYKCPIHKXANAPP-UHFFFAOYSA-N;132.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191883;MM191883;Nn1c(O)c(O)[nH]c1=O;LOQSIVXKPNVDLX-UHFFFAOYSA-N;131.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191884;MM191884;NN=Cc1coc(F)c1;QAQITZYQAUJCHB-UHFFFAOYSA-N;128.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191885;MM191885;CC1=C(C)C(=O)N(N)C1;SKPRQEDRXOFRQN-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191886;MM191886;C=C1OC(CO)=NC1=N;YXLFHMOFTWANPQ-UHFFFAOYSA-N;126.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191887;MM191887;N=c1nc(O)[nH]oc1=NN;XWCFSPVIBWANDP-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191888;MM191888;CC=Cc1cc(F)[nH]n1;QRWLFBNCFMRHOI-UHFFFAOYSA-N;126.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191889;MM191889;CON=c1ncn(O)o1;TVDPPUNKBMKPFQ-UHFFFAOYSA-N;131.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191890;MM191890;CC=Cc1cc(C)on1;XDHYVXAFNURNMZ-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191891;MM191891;CC=Cc1cc(=N)o[nH]1;WXZIVCKMZFJVMR-UHFFFAOYSA-N;124.14;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191892;MM191892;N=c1nc[nH]c(=NN)o1;YUHMYSHBORSVHJ-UHFFFAOYSA-N;127.11;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191893;MM191893;CC=Cc1cc(F)on1;HOLCNHFUSIGFRP-UHFFFAOYSA-N;127.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191894;MM191894;Cc1cc(C=NN)no1;SFPLPXLGDVBWAR-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191895;MM191895;CC=Cc1c[nH]c(N)n1;IYQWDYPJIOPTNM-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191896;MM191896;CC=Cc1c[nH]c(O)n1;VCCIBFMRTOIHGP-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191897;MM191897;CC=Cc1coc(C)n1;NQMKSUMPGYBARX-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191898;MM191898;C=CC1=CCN(N)C1=O;FDMKDMBVUCYRMM-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191899;MM191899;CC=Cc1coc(F)n1;ANNIJRHLJWZNNB-UHFFFAOYSA-N;127.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191900;MM191900;Cc1nnc(CO)n1N;KSWVDFYGSSZHPX-UHFFFAOYSA-N;128.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191901;MM191901;N=c1c(O)cc(O)nn1N;DJLNEWMSYNGTKZ-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191902;MM191902;CC=Cc1noc(C)n1;DXPFCHZXTBIJOL-UHFFFAOYSA-N;124.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191903;MM191903;CC=Cc1noc(N)n1;SCUPOGNNOIIPKZ-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191904;MM191904;O=c1[nH]cc(O)o1;QWZSHPBGQHXOLQ-UHFFFAOYSA-N;101.06;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191905;MM191905;CC=Cc1noc(F)n1;SJFJLWPXDXJQSV-UHFFFAOYSA-N;128.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191906;MM191906;CC#CC1=CCC(C)=C1;MZHRLOKFAZTGQX-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191907;MM191907;CC#CC1=CCC(F)=C1;SSGOTQHEXANQKX-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191908;MM191908;CC#Cc1c[nH]c(C)c1;ARGLXFKQHMIFFE-UHFFFAOYSA-N;119.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191909;MM191909;NN=C(CO)OCCO;AVRDMRVBLKSHAY-UHFFFAOYSA-N;134.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191910;MM191910;CC#Cc1c[nH]c(O)c1;JODVSSYTKXDMII-UHFFFAOYSA-N;121.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191911;MM191911;CC#Cc1c[nH]c(F)c1;PUULABDHCVCRBL-UHFFFAOYSA-N;123.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191912;MM191912;CC#Cc1coc(C)c1;SLDJCMKAMVGNOF-UHFFFAOYSA-N;120.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191913;MM191913;CC#Cc1coc(N)c1;AWIREKDPFJCJRB-UHFFFAOYSA-N;121.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191914;MM191914;O=c1occ(F)n1O;MUEZWVSJVKBTER-UHFFFAOYSA-N;119.05;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191915;MM191915;CC#Cc1coc(F)c1;UZMAYAGDFOBSRO-UHFFFAOYSA-N;124.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191916;MM191916;CC=COC(CO)=NN;YXJIQDAXJNVLNT-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191917;MM191917;CNC1=NOC(CO)O1;JJFPKNMEGOSRHR-UHFFFAOYSA-N;132.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191918;MM191918;COc1nnc(=O)n(O)n1;XAWDLJZIFUVNSJ-UHFFFAOYSA-N;144.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191919;MM191919;CC#Cc1cc(C)on1;ILXFYBJOUABIBW-UHFFFAOYSA-N;121.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191920;MM191920;COc1nnn(O)c(=O)n1;AWVFDBLZLNXOGZ-UHFFFAOYSA-N;144.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191921;MM191921;CC#Cc1cc(F)on1;WNHQBOUSOALVBM-UHFFFAOYSA-N;125.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191922;MM191922;CC#Cc1c[nH]c(O)n1;DZCYTGJUTDLJNZ-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191923;MM191923;CC#Cc1coc(C)n1;RAUGMRDNYZKYAH-UHFFFAOYSA-N;121.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191924;MM191924;CC#Cc1coc(N)n1;RVUCDHDWQAFEKJ-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191925;MM191925;CC#Cc1coc(F)n1;ZBIDICUTBSZYAY-UHFFFAOYSA-N;125.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191926;MM191926;CC#Cc1n[nH]c(N)n1;FFKPNRDHZJDGAZ-UHFFFAOYSA-N;122.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191927;MM191927;O=c1[nH]c(F)c(F)n1O;YHRQVXULGYYJAJ-UHFFFAOYSA-N;136.06;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191928;MM191928;CC#Cc1noc(C)n1;USVOSOYTKOUGRK-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191929;MM191929;CC#Cc1noc(N)n1;PYANYRJOYVBMCS-UHFFFAOYSA-N;123.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191930;MM191930;Cc1nn(O)c(=O)n1O;MTSDBVZHAXTCTP-UHFFFAOYSA-N;131.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191931;MM191931;CC#Cc1noc(F)n1;YOCKGKITPMGNIB-UHFFFAOYSA-N;126.09;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191932;MM191932;CCCC1=CC(C)CC1;UWHOAWCEEHOASE-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191933;MM191933;CC1C=C(CCN)CC1;FCJNHHUAPGNCBM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191934;MM191934;CCCC1=CC(N)CC1;LVQLIQWSBXTIID-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191935;MM191935;NCCC1=CC(N)CC1;SIBBCWSGHRJULS-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191936;MM191936;NNC1=NOC(CO)O1;ZSKJMDSXAOXBLV-UHFFFAOYSA-N;133.11;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191937;MM191937;NCCC1=CC(O)CC1;XTUWYUHHMGNBAO-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191938;MM191938;CCCC1=CC(F)CC1;XCDICHMMLXGQOI-UHFFFAOYSA-N;128.19;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191939;MM191939;NCCC1=CC(F)CC1;OFERUIZEXRZFDV-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191940;MM191940;CNCC1=CC(F)CC1;KUTDUSZKPGXZLR-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191941;MM191941;CCOC1=CC(C)CC1;ZKLHFOFMNKTURF-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191942;MM191942;CCOC1=CC(O)CC1;YABVQDBDALXZAR-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191943;MM191943;CCCC1=CC(C)NC1;IZVSCDVBPNDZOA-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191944;MM191944;CC1C=C(CCN)CN1;GQHPQOCXVNPZAC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191945;MM191945;CCOC1=CC(C)NC1;DMJGZKLEVRSAIM-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191946;MM191946;CCCC1=CC(C)OC1;PUIFBEXVAFWUNE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191947;MM191947;CC1C=C(CCN)CO1;WLYKUSHABOSOTO-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191948;MM191948;CCCC1=CC(C)CO1;MCDMRRQPTNXQDP-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191949;MM191949;CCCC1=CC(N)CO1;BOYGDPQZIROIDZ-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191950;MM191950;CCCC1=CC(O)CO1;ARMJEQRKUNJVQO-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191951;MM191951;CCCC1=CC(F)CO1;JDROKCWORJUXCL-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191952;MM191952;CCNC1=NC(C)CN1;YRUXRALRPWVGPI-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191953;MM191953;CCCC1=NN(C)CC1;HUKQOUOMOQJZHM-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191954;MM191954;CN1CCC(CCN)=N1;CLFREJUNTCGZCL-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191955;MM191955;C=CCC1=CC(C)CC1;RJROGUZMOVVMDS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191956;MM191956;CC1C=C(CC=O)CC1;PIRSGHMNJNAXJX-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191957;MM191957;CC1C=C(CC#N)CC1;SOLQTVCPSZWALJ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191958;MM191958;C=CCC1=CC(N)CC1;SGPNTFGCYYIWDL-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191959;MM191959;Cc1ncc(CO)nn1;SKPLDSFIHXWLIC-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191960;MM191960;C=NOCC(=C)NC(N)=O;XHIDYMZEMKLPHO-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191961;MM191961;CN(C)C(CO)=NC(N)=O;OXDWRJZRDVAFJD-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191962;MM191962;C=CCC1=CC(F)CC1;MVFOPTOPWHTWJQ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191963;MM191963;O=CCC1=CC(F)CC1;HPHKJPMJKHLKGC-UHFFFAOYSA-N;128.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191964;MM191964;N#CCC1=CC(F)CC1;URCSOHNNNRCIJO-UHFFFAOYSA-N;125.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191965;MM191965;CC1C=C(NC=N)CC1;MZXDSKIXSXKHHM-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191966;MM191966;CC1C=C(NC=O)CC1;JAPNGWZMXXZROM-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191967;MM191967;N=CNC1=CC(N)CC1;GPNMBAYKTUDXCX-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191968;MM191968;NC1C=C(NC=O)CC1;DFXDACUTOFMXJY-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191969;MM191969;N=CNC1=CC(O)CC1;WLPSPDCMVLPAGV-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191970;MM191970;O=CNC1=CC(O)CC1;QFAYNBTWYIKRPC-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191971;MM191971;N=CNC1=CC(F)CC1;OTSJDJDKQNCWIM-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191972;MM191972;C=COC1=CC(C)CC1;UGVNBYKJHXIUMB-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191973;MM191973;C=COC1=CC(N)CC1;XFLBRLDGNWYFNX-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191974;MM191974;C=COC1=CC(O)CC1;FQBJEUYPXMQESJ-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191975;MM191975;C=COC1=CC(F)CC1;GTTSWXKFJNMVRL-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191976;MM191976;C=CCC1=CC(C)NC1;OPVOHGGQWUENOX-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191977;MM191977;CC1C=C(CC=O)CN1;RXDFMOYDIQXDLO-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191978;MM191978;CC1C=C(CC#N)CN1;HIGAFEVSVDYBLN-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191979;MM191979;CC1C=C(NC=N)CN1;XHSGIHDRNWGWRC-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191980;MM191980;C=COC1=CC(C)NC1;KCRXBTFSXXWSGQ-UHFFFAOYSA-N;125.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191981;MM191981;C=CCC1=CC(C)OC1;LGKKRYPUSDXRMM-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191982;MM191982;CC1C=C(CC=O)CO1;XGUUUMKCDRKJQJ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191983;MM191983;CC1C=C(CC#N)CO1;RMRDCJJTIUOZSQ-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191984;MM191984;CC1C=C(NC=N)CO1;YUSAKINSXWJPRK-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191985;MM191985;CC1C=C(NC=O)CO1;JFLPUUHUOXCXGS-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191986;MM191986;C=COC1=CC(C)OC1;ORDFZHOOJSPQAQ-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191987;MM191987;C=CCC1=CC(C)CO1;WBCKJLNVFBTZIN-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191988;MM191988;CC1C=C(CC#N)OC1;MKLLZPXCZGEPFB-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191989;MM191989;C=CCC1=CC(N)CO1;ZXRALAHMAXICMS-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191990;MM191990;C=CCC1=CC(O)CO1;JFMFBFFKGKDABN-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191991;MM191991;N#CCC1=CC(O)CO1;AHDUYYMUCHQYBO-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191992;MM191992;C=CCC1=CC(F)CO1;DIYUPRSGCKCVDX-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191993;MM191993;N#CCC1=CC(F)CO1;RNDYDXWORVFGNE-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191994;MM191994;CC1C=C(NC=N)OC1;XSLBHGYTBBNTIW-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191995;MM191995;N=CNC1=CC(N)CO1;OQTYWIPKHSLVRH-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191996;MM191996;N=CNC1=CC(O)CO1;OOQIOXQGNPZLML-UHFFFAOYSA-N;128.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191997;MM191997;C=CN=C1CCC(C)N1;MOCRVIZLFVIRGD-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191998;MM191998;C=CNC1=NC(C)CN1;HKJPQCRRKCQNTE-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM191999;MM191999;CC1CNC(NC=N)=N1;QJBIYTJGFNGREQ-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192000;MM192000;C=NNC1=NC(C)CN1;PJLBMHXWLQLGBQ-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192001;MM192001;C=CCC1=NN(C)CC1;HCQMFPIWLQGUBQ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192002;MM192002;CN1CCC(CC#N)=N1;PYZFXEJXFILCLR-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192003;MM192003;C=CN=C1CCN(C)N1;JLWYTNYMYSSNAQ-UHFFFAOYSA-N;125.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192004;MM192004;C=COC1=NN(C)CC1;DRESQPXEXMSGGH-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192005;MM192005;C#CCC1=CC(C)CC1;HQXBRGOFQILTCR-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192006;MM192006;C#CCC1=CC(N)CC1;DHWGUIRMHJERQU-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192007;MM192007;C=CC1(O)CC(=O)N(N)C1;DZQSWQZEDOPFMV-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192008;MM192008;C#CCC1=CC(F)CC1;BWQJLHWREPIDHB-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192009;MM192009;C#CCC1=CC(C)NC1;NJJJYCZXCLEKDG-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192010;MM192010;C#CCC1=CC(C)OC1;NJMRHQHTCFOMMH-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192011;MM192011;C#CCC1=CC(C)CO1;HAUYGEKHGRIRIN-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192012;MM192012;C#CCC1=CC(N)CO1;MKBJRQQEDDVDGV-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192013;MM192013;C#CCC1=CC(O)CO1;AYEPMHGNPZNVEU-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192014;MM192014;C#CCC1=CC(F)CO1;QGZVPJQWMKPTDJ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192015;MM192015;C#CCC1=NN(C)CC1;WMMXCSAQPJZWGS-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192016;MM192016;C=C1C=C(CCC)CC1;WRODKCOHQVZPAC-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192017;MM192017;C=C1C=C(CCN)CC1;BGPTULOFSJJBTL-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192018;MM192018;NC(=O)ON=CCNC=O;XWIKPUBBVPVSLC-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192019;MM192019;CCCC1=CC(=O)CC1;ZFUZPXVIPQVSDO-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192020;MM192020;C=C1C=C(CNC)CC1;PMLUGRAODSPQSH-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192021;MM192021;CNCC1=CC(=O)CC1;BOJKRDPOGZVFIE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192022;MM192022;CCNC1=CC(=O)CC1;YUFXDPVFXIMAFZ-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192023;MM192023;C=C1C=C(OCC)CC1;XRKOHIPYCCBEKR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192024;MM192024;CCOC1=CC(=O)CC1;SUQNVCCJLBQVEI-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192025;MM192025;CCCC1=CC(=N)NC1;YXKHANXYIHRHKS-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192026;MM192026;N=C1C=C(CCN)CN1;FIYZQOQTOVHMNJ-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192027;MM192027;CCCC1=CC(=O)NC1;SZQDZDONISYMSH-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192028;MM192028;NCCC1=CC(=O)NC1;FGVDGNACCOJQHU-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192029;MM192029;CNCC1=CC(=N)NC1;CTTIYRUPIJJGPP-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192030;MM192030;CNCC1=CC(=O)NC1;TUQNSQCXHPPISV-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192031;MM192031;CCNC1=CC(=N)NC1;PSYHWOUDKRELHW-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192032;MM192032;CCNC1=CC(=O)NC1;FXTTVOLOKXJULN-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192033;MM192033;CCOC1=CC(=N)NC1;HJHOQHSGECSGIQ-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192034;MM192034;C=C1C=C(CCC)CO1;MJGQVPOURYGUTM-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192035;MM192035;C=C1C=C(CCN)CO1;AVRADEBQJOMCIV-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192036;MM192036;CCNC1=CC(=O)OC1;UEHTZEKBWOWMSS-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192037;MM192037;CCCc1cc(O)c[nH]1;PIPDSYPYUKSTOK-UHFFFAOYSA-N;125.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192038;MM192038;CCNc1cc(O)c[nH]1;YMCOEFGBZGVJAL-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192039;MM192039;C=NOC(=O)NCC=CC;KTJVHDRGDDZNNM-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192040;MM192040;NCCc1cc(N)n[nH]1;VBSPGHAUOXAFOH-UHFFFAOYSA-N;126.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192041;MM192041;C=CNC(=O)C(C)C=NN;VBWBNMZYHCDSGG-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192042;MM192042;CCNc1cc(=O)[nH][nH]1;WHVYXXPSMINRMZ-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192043;MM192043;C=C1C=C(CCC)OC1;KGBJQHKFJWRZEQ-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192044;MM192044;C=NOCCC1(O)CC1O;UTKIFSZVXWXRRD-UHFFFAOYSA-N;145.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192045;MM192045;Cc1c(O)n(O)c(=O)n1O;VDYIRAOOYAGZHG-UHFFFAOYSA-N;146.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192046;MM192046;CCC(O)(C=NOC)CC;UBMQUSSBCYZPPS-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192047;MM192047;Oc1c(F)c(O)n(O)c1F;LXVMTFWYUUMRNI-UHFFFAOYSA-N;151.07;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192048;MM192048;CCNC1=NC(=N)CN1;TUCSOLGLMBPYLJ-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192049;MM192049;CC(C)=COC(CO)=NN;NILSVSJQUMOUHB-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192050;MM192050;C=Cn1nc(O)c(=O)[nH]1;FQZSWSQTPIVABA-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192051;MM192051;C=CCC1=CC(=C)CC1;SVTXANGAFQRKLG-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192052;MM192052;C=C1C=C(CC=O)CC1;YMIPPMKKAKDUCE-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192053;MM192053;C=C1C=C(CC#N)CC1;ZLWCJJMZESXKPU-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192054;MM192054;C=CCC1=CC(=O)CC1;ZPIVSQMQBDKUCB-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192055;MM192055;O=CCC1=CC(=O)CC1;RGQHXYUFWRDBBE-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192056;MM192056;N#CCC1=CC(=O)CC1;BBGGEVDFGOCOKJ-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192057;MM192057;C=C1C=C(NC=N)CC1;YGMFUHWIOBTCEO-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192058;MM192058;C=C1C=C(NC=O)CC1;MUSXAPOQJSAPFZ-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192059;MM192059;N=CNC1=CC(=O)CC1;LVWAWRHUPZJNDE-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192060;MM192060;CN1C=NC(C#N)(CO)C1;KYTRXZDGZAFBLR-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192061;MM192061;C=COC1=CC(=C)CC1;WPQUDRVIZACKTA-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192062;MM192062;C=COC1=CC(=O)CC1;LWUXGFMTAHBLPN-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192063;MM192063;C=CCC1=CC(=N)NC1;LBCZBYSNNIFYOO-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192064;MM192064;N=C1C=C(CC=O)CN1;ZIGBKQBXEZSOMO-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192065;MM192065;N#CCC1=CC(=N)NC1;BYPJQQQOMRCDQT-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192066;MM192066;C=CCC1=CC(=O)NC1;TUVKFUWYJNWFEV-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192067;MM192067;O=CCC1=CC(=O)NC1;QMBFJDSHPONDTM-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192068;MM192068;N#CCC1=CC(=O)NC1;HLWSWSFJHKDCGC-UHFFFAOYSA-N;122.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192069;MM192069;N=CNC1=CC(=N)NC1;OLBLJEUNWNQDGR-UHFFFAOYSA-N;124.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192070;MM192070;N=C1C=C(NC=O)CN1;ZEBHEYQXRCMXPO-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192071;MM192071;O=CNC1=CC(=O)NC1;FTGQCHCOWGECKK-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192072;MM192072;C=NNC1=CC(=O)NC1;ABLNXRKTLBJZBQ-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192073;MM192073;C=COC1=CC(=N)NC1;QSKOODQAFGDJIR-UHFFFAOYSA-N;124.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192074;MM192074;C=COC1=CC(=O)NC1;VMAWBNMJTFSJMG-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192075;MM192075;C=CCC1=CC(=C)OC1;YRZZZHRTMCLSSO-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192076;MM192076;C=C1C=C(CC=O)CO1;CXPWSEUDXFCUFM-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192077;MM192077;C=C1C=C(CC#N)CO1;SEKZRMLMFKBJDY-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192078;MM192078;N#CCC1=CC(=O)OC1;KJAXGXKOLQMYOY-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192079;MM192079;C=C1C=C(NC=N)CO1;ZXTFEEKTKQVOOY-UHFFFAOYSA-N;124.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192080;MM192080;C=C1C=C(NC=O)CO1;AJFDWGSNAJRNAJ-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192081;MM192081;N=CNC1=CC(=O)OC1;QJLHWPNZFMVGFZ-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192082;MM192082;C=NNC1=CC(=O)OC1;QZYZJJGCGYRBQA-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192083;MM192083;C=COC1=CC(=C)OC1;VZESZYOZRBXFKA-UHFFFAOYSA-N;124.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192084;MM192084;C=COC1=CC(=O)OC1;HGKYCYKMYCEQRR-UHFFFAOYSA-N;126.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192085;MM192085;C=CCc1cc(O)c[nH]1;JXPMLNCQVMBNFM-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192086;MM192086;N#CCc1cc(O)c[nH]1;DPLKCQRLEHHBMX-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192087;MM192087;N=CNc1cc(O)c[nH]1;ZNFAVIWKKMZRGE-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192088;MM192088;CCC(O)C(=N)N(N)C=O;SNAVRZJZHAJLCI-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192089;MM192089;C=COc1cc(O)c[nH]1;YQIWBAHBKYCPSH-UHFFFAOYSA-N;125.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192090;MM192090;O=c1cc(O)n(O)nn1;LJCLUHUBHRLILG-UHFFFAOYSA-N;129.08;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192091;MM192091;N=CNc1cc(N)n[nH]1;HVZVHIMVXJKCFD-UHFFFAOYSA-N;125.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192092;MM192092;C=NN(C)C(=N)C(O)CC;PEPIFMOBMRDYSU-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192093;MM192093;CCC(=O)NC(=N)C#N;WFYOLSIVQAKZGP-UHFFFAOYSA-N;125.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192094;MM192094;C=CCC1=CC(=C)CO1;LKRVJUOYZMXVEQ-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192095;MM192095;C=C1C=C(CC#N)OC1;DPEGTQNMUSMEAY-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192096;MM192096;C=C1C=C(NC=N)OC1;PEADZLIWJVRPDK-UHFFFAOYSA-N;124.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192097;MM192097;C=NOCC(O)C(C)=CC;CALSEFSVBBODLM-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192098;MM192098;N#CCc1cc(N)no1;HLLBTLQIAUBFLS-UHFFFAOYSA-N;123.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192099;MM192099;Cn1oc(=N)[nH]c1=O;ONOJWNUAFHGBPN-UHFFFAOYSA-N;115.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192100;MM192100;C#Cc1nc(O)n(O)n1;WZIQAAKMJQPDHZ-UHFFFAOYSA-N;125.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192101;MM192101;NN=CCC1CC1(O)CF;WIABFNNTEBWTFM-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192102;MM192102;ON=c1c(O)cnnn1O;PFCJRMMEPWFNNY-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192103;MM192103;Cn1oc(=NN)c(O)c1N;NGDKGIDRVFBSFZ-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192104;MM192104;CC#CC#CC(CF)=NO;RSLQTVGRSDEYGL-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192105;MM192105;C=CN=C1CCC(=N)N1;FSQLNZIUNVZHBP-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192106;MM192106;N=c1ncn(O)c(CO)n1;IQADXASJCUELTL-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192107;MM192107;C=CN=C1CNC(=N)N1;SRBJBOFCJUNDND-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192108;MM192108;C=CN=C1CNC(=O)N1;JGNKDUGBZUKYBN-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192109;MM192109;CCC=COC(CO)=NN;MPSVGGQXQBAFBW-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192110;MM192110;C=CN=C1COC(=O)N1;NXYNZOSCRVGIAF-UHFFFAOYSA-N;126.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192111;MM192111;C=CNC1=NC(=N)CN1;YTUBZYDSTLWJFE-UHFFFAOYSA-N;124.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192112;MM192112;N=CNC1=NC(=N)CN1;YXSUGTWQHXJSGO-UHFFFAOYSA-N;125.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192113;MM192113;C=CC=COC(CO)=NN;OFBPTAXLRKBJPM-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192114;MM192114;CC#Cc1cnn(O)c1O;JSXNGKOQHDSGAY-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192115;MM192115;C#CCC1=CC(=C)CC1;ZAQPJYOZMMQHTC-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192116;MM192116;C#CCC1=CC(=O)CC1;BCOODPINKXWMNX-UHFFFAOYSA-N;120.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192117;MM192117;C#CCC1=CC(=N)NC1;BEIIJSGBRXLUOH-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192118;MM192118;C#CCC1=CC(=O)NC1;ZMPHLNRMMVHBGT-UHFFFAOYSA-N;121.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192119;MM192119;C#CCC1=CC(=C)OC1;GRDVBQGJDRNTGR-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192120;MM192120;C#CCC1=CC(=O)OC1;KNDIFBHZMPKGBZ-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192121;MM192121;C#CCc1cc(O)c[nH]1;YSRBBBSEXZRTEE-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192122;MM192122;CCc1[nH]nc(O)c1O;JYYRYOZOYQNJAA-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192123;MM192123;C#CCC1=CC(=C)CO1;YOTXKNDKLSCFDK-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192124;MM192124;COc1ncn(O)c(=N)n1;WVFCIJRWLFDVKE-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192125;MM192125;C#Cc1[nH]nc(O)c1N;ZZNZNIUSJLQQPS-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192126;MM192126;CC=CC1=CC(C)CC1;VZKRYBBXTUNNLS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192127;MM192127;CC=CC1=CC(N)CC1;ZRZGDTHPBTXHJK-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192128;MM192128;CC=Cc1cc(OC)n[nH]1;RDEVTGKCHITHPR-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192129;MM192129;CC=CC1=CC(F)CC1;IHRYEBQNDJJOLZ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192130;MM192130;CC1C=C(C=NN)CC1;XXRHMQFJYJFCAO-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192131;MM192131;CNn1cc(CC=O)cn1;HHBNVHRHAYUQIV-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192132;MM192132;NN=CC1=CC(F)CC1;WIKAACJFCFEBDY-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192133;MM192133;CC=CC1=CC(C)NC1;FSEBZKKVBILVEZ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192134;MM192134;CC=CC1=CC(C)OC1;JESOBHROLQFXLZ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192135;MM192135;CC1C=C(C=NN)CO1;JNPUMUZJPGQTOR-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192136;MM192136;CC=CC1=CC(C)CO1;BSWXSEVGQXQEFY-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192137;MM192137;CC=CC1=CC(N)CO1;FNUUPKSEOLQBMN-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192138;MM192138;CC=CC1=CC(O)CO1;PEUNEMKRVSFTJN-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192139;MM192139;CC=CC1=CC(F)CO1;XSOHTGCZDYDANL-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192140;MM192140;CC=CC1=NN(C)CC1;YRQPDKXVDOXXEX-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192141;MM192141;C=C1C=C(C=CC)CC1;STQKUELBKVCRCA-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192142;MM192142;CC=CC1=CC(=O)CC1;FFMNSWPTHLTAGU-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192143;MM192143;C=C1C=C(C=NN)CC1;PPWHRUOGNVHDEJ-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192144;MM192144;CC=CC1=CC(=N)NC1;YMDDDPYYSSRKIS-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192145;MM192145;CC=CC1=CC(=O)NC1;QQKWQOLYHCAKOE-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192146;MM192146;N=C1C=C(C=NN)CN1;ZVKHCBQYJBQBBM-UHFFFAOYSA-N;124.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192147;MM192147;NN=CC1=CC(=O)NC1;XZTWPEXWQDVTEA-UHFFFAOYSA-N;125.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192148;MM192148;C=C1C=C(C=CC)CO1;NNOLDUVYNQNFER-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192149;MM192149;CC=CC1=CC(=O)OC1;OPLIFFRFIHVLJI-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192150;MM192150;C=C1C=C(C=NN)CO1;PWXRNPAPFWCJDQ-UHFFFAOYSA-N;124.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192151;MM192151;NN=CC1=CC(=O)OC1;QNIHJWVWVCQMHE-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192152;MM192152;CC=Cc1cc(O)c[nH]1;SFYOVANJGSZYJV-UHFFFAOYSA-N;123.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192153;MM192153;NN=c1c(N)cn(N)n1O;GZWVBRMMWRNJHA-UHFFFAOYSA-N;144.14;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192154;MM192154;C=C1C=C(C=CC)OC1;XDCRSILDPDQJHP-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192155;MM192155;CN=c1c(F)cn(N)n1O;WQHGCLSYWQFLAE-UHFFFAOYSA-N;146.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192156;MM192156;Nc1c(O)n[nH]c1O;IKUPGAFMVPZQKC-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192157;MM192157;CC#CC1=CC(C)CC1;PTFJOPWHBZLNNU-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192158;MM192158;CC#CC1=CC(N)CC1;ZZXQHJPJYMRMPS-UHFFFAOYSA-N;121.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192159;MM192159;CNC(C#N)C1C(O)C1F;SCHMLMLPZUZJEG-UHFFFAOYSA-N;144.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192160;MM192160;CC#CC1=CC(F)CC1;OZSNVHVJCLPNOY-UHFFFAOYSA-N;124.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192161;MM192161;CC#CC1=CC(C)NC1;AGKMYMMCRKJQBY-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192162;MM192162;CC#CC1=CC(C)OC1;SZJWGKDNWGOLBL-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192163;MM192163;CC#CC1=CC(C)CO1;OXLUGJOOFZRRQR-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192164;MM192164;CC#CC1=CC(N)CO1;PZEDESLBFNALOT-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192165;MM192165;CC#CC1=CC(O)CO1;OSJFDUGAUBNDKZ-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192166;MM192166;CC#CC1=CC(F)CO1;RYHRXPPTQGVYGZ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192167;MM192167;CC#CC1=NN(C)CC1;MXLUANSVDULJMS-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192168;MM192168;C=C1C=C(C#CC)CC1;PNGSLJLGKYIUIQ-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192169;MM192169;CC#CC1=CC(=O)CC1;VQUYUGJLQCJILS-UHFFFAOYSA-N;120.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192170;MM192170;CC#CC1=CC(=N)NC1;XMAOEGOOQISYNL-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192171;MM192171;CC#CC1=CC(=O)NC1;DFYCZKCOFYJHFB-UHFFFAOYSA-N;121.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192172;MM192172;C=C1C=C(C#CC)CO1;APCOANQRPIKSDF-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192173;MM192173;CC#CC1=CC(=O)OC1;MHTUFGBUYBKVPI-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192174;MM192174;CC#Cc1cc(O)c[nH]1;AXLKVGPFAIUPBP-UHFFFAOYSA-N;121.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192175;MM192175;NN=CC1C(O)C1O;WZNYAJAMIMBEQN-UHFFFAOYSA-N;116.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192176;MM192176;Nn1[nH]c(O)nc(=O)c1=O;GGQJWRIYQIBFHP-UHFFFAOYSA-N;144.09;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192177;MM192177;C=C1C=C(C#CC)OC1;QKYRCPNXQHNSRS-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192178;MM192178;CC(F)=CC(O)C=NN;YYCCFVXMYIZMIA-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192179;MM192179;CN=c1nc(CC#N)[nH]o1;GJROLEOMWFCCTN-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192180;MM192180;CCCC1=CC(C)C=C1;NANSEBOBTXVYJW-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192181;MM192181;CC1C=CC(CCN)=C1;YYPAVKOQAFOKDS-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192182;MM192182;CCCC1=CC(N)C=C1;OYOBLEQZHYYHSJ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192183;MM192183;NCCC1=CC(N)C=C1;MDHTZBOIDZZAQH-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192184;MM192184;CCCC1=CC(O)C=C1;BBBUEPWVTSLXOX-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192185;MM192185;NCCC1=CC(O)C=C1;ROYXTWRAFFSCJH-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192186;MM192186;CCCC1=CC(F)C=C1;QDPKAJVWEDQXSQ-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192187;MM192187;NCCC1=CC(F)C=C1;MLEWCPZOCZWSTI-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192188;MM192188;CNCC1=CC(C)C=C1;UTIMAIHXRUVBKY-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192189;MM192189;CNCC1=CC(F)C=C1;MVBBZWYIOAPBNI-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192190;MM192190;CCOC1=CC(C)C=C1;JACSFHZGEVXRKM-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192191;MM192191;CCOC1=CC(N)C=C1;XZCFYEJDNRHOJB-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192192;MM192192;CCOC1=CC(O)C=C1;KARNTZABBIUKFJ-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192193;MM192193;CCCc1ccn(C)c1;QTGQKVLMZFFGHA-UHFFFAOYSA-N;123.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192194;MM192194;Cn1ccc(CCN)c1;PSMPVEPHSSCVTM-UHFFFAOYSA-N;124.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192195;MM192195;CCCc1ccn(N)c1;ABARMTUCNBWVKY-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192196;MM192196;CCCc1ccn(O)c1;KMASMABZTDYYKV-UHFFFAOYSA-N;125.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192197;MM192197;NCCc1ccn(O)c1;XSFIIQCCWVUIRM-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192198;MM192198;CNCc1ccn(C)c1;TUEZCTFCQWTTNT-UHFFFAOYSA-N;124.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192199;MM192199;CNCc1ccn(N)c1;QUIZHMQELYNBLK-UHFFFAOYSA-N;125.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192200;MM192200;CNCc1ccn(O)c1;GNLCXHHGZGIULT-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192201;MM192201;CCNc1ccn(C)c1;DGGRCFWBXJZNOO-UHFFFAOYSA-N;124.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192202;MM192202;CCNc1ccn(N)c1;NXEBPDRQVFFQAQ-UHFFFAOYSA-N;125.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192203;MM192203;CCNc1ccn(O)c1;BJTFQIZAROCHBT-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192204;MM192204;CCOc1ccn(C)c1;ALRQLLMRGWDRJO-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192205;MM192205;CCOc1ccn(N)c1;BBQBMXLGVXVUCF-UHFFFAOYSA-N;126.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192206;MM192206;CCOc1ccn(O)c1;RCTZXEGRIZDQNH-UHFFFAOYSA-N;127.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192207;MM192207;CCCc1cnn(C)c1;XHNABCKSZZNECQ-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192208;MM192208;Cn1cc(CCN)cn1;VVIZVEAXGCWHOM-UHFFFAOYSA-N;125.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192209;MM192209;CCCc1cnn(N)c1;DWJDMHSKXGAKRN-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192210;MM192210;CCCc1cnn(O)c1;ZGWGIHHTYVESHM-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192211;MM192211;NCCc1cnn(O)c1;FTPFYNHEASNTGH-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192212;MM192212;CNCc1cnn(C)c1;LEHGOSZFUSOULZ-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192213;MM192213;CNCc1cnn(N)c1;LPWJALZFMJELGA-UHFFFAOYSA-N;126.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192214;MM192214;CCNc1cnn(C)c1;PUVWFSUNHHFSFG-UHFFFAOYSA-N;125.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192215;MM192215;CCNc1cnn(N)c1;SXUAEWAWCJRPLD-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192216;MM192216;CCNc1cnn(O)c1;ACLBOYCKVLRIMX-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192217;MM192217;CCOc1cnn(C)c1;AUCGXFVBWAZSSK-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192218;MM192218;CCOc1cnn(N)c1;VFYKIUDFJIZOER-UHFFFAOYSA-N;127.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192219;MM192219;CCCc1cn(C)cn1;XPVNZDGUANMYBJ-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192220;MM192220;Cn1cnc(CCN)c1;FHQDWPCFSJMNCT-UHFFFAOYSA-N;125.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192221;MM192221;CCCc1cn(N)cn1;MGXHBIGCHOGZDB-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192222;MM192222;NN=C(CC(N)=O)NO;VAYLMHCXWDAQMA-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192223;MM192223;NCCc1cn(O)cn1;AWSCMIQXRNHXGP-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192224;MM192224;CCNc1cn(C)cn1;UEABIKGMOPVSLQ-UHFFFAOYSA-N;125.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192225;MM192225;CCNc1cn(N)cn1;OPNDVNSHAHVXER-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192226;MM192226;CC1=NC(=N)C(=N)N1O;MDNWPDXEKCGUCV-UHFFFAOYSA-N;126.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192227;MM192227;CCCc1cn(C)nn1;ODOPEZYFKKYEKA-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192228;MM192228;Cn1cc(CCN)nn1;FTILWFNDSQHZBI-UHFFFAOYSA-N;126.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192229;MM192229;CCCc1cn(N)nn1;GAJNIBSIWHAWQF-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192230;MM192230;COCOC(CO)=NN;SHQKIPHJMYLPJK-UHFFFAOYSA-N;134.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192231;MM192231;C#CCOC(CO)=NN;NFZIQWQNAOLMEC-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192232;MM192232;CCNc1cn(O)nn1;GPQACQFGVDCEOL-UHFFFAOYSA-N;128.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192233;MM192233;CCCc1ccn(C)n1;FKQIJYOUPCNXPZ-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192234;MM192234;Cn1ccc(CCN)n1;HVJSAASIIATSGA-UHFFFAOYSA-N;125.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192235;MM192235;CCCc1ccn(N)n1;NAUSQJZOFQMTNP-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192236;MM192236;CCCc1ccn(O)n1;GZMQRICLAMEDDN-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192237;MM192237;NCCc1ccn(O)n1;SKIJBYCQOPAHTQ-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192238;MM192238;CCCc1cnn(C)n1;WTTUBZZQAVGMAG-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192239;MM192239;Cn1ncc(CCN)n1;LJOKWRJBTBFCNA-UHFFFAOYSA-N;126.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192240;MM192240;CCCc1ncn(C)n1;VAPYHMCUCVFXNY-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192241;MM192241;CCCc1ncn(N)n1;QWPCWIUPPHMZLV-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192242;MM192242;C=CC1=NOC(CO)O1;KJDLDZHRLXARIR-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192243;MM192243;CNN=CC1C(O)C1O;QROFNBNGFUQLGL-UHFFFAOYSA-N;130.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192244;MM192244;CCCc1nnn(C)n1;VEIXLXHTZIMYDR-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192245;MM192245;CCNc1nnn(C)n1;HYOKTKDYONBTCY-UHFFFAOYSA-N;127.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192246;MM192246;C=CCC1=CC(C)C=C1;DLZORLQHQAHXSR-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192247;MM192247;CC1C=CC(CC=O)=C1;JBDNYOPRGOJARL-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192248;MM192248;CC1C=CC(CC#N)=C1;BNSIFVKCFUIABB-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192249;MM192249;C=CCC1=CC(N)C=C1;DRGLALRQMFRHPS-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192250;MM192250;C=CCC1=CC(O)C=C1;JQJFMRUJEMCCTM-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192251;MM192251;O=CCC1=CC(O)C=C1;ULXTXXQYFRVCSW-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192252;MM192252;N#CCC1=CC(O)C=C1;MFTHOJHYHVTNRG-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192253;MM192253;C=CCC1=CC(F)C=C1;KBGLEEBRDAJRQN-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192254;MM192254;O=CCC1=CC(F)C=C1;IHFSQHRBRHZOFE-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192255;MM192255;N#CCC1=CC(F)C=C1;RVOXKURUVSXXHT-UHFFFAOYSA-N;123.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192256;MM192256;CC1C=CC(NC=N)=C1;UQCQOXLGGMGPNO-UHFFFAOYSA-N;122.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192257;MM192257;CC1C=CC(NC=O)=C1;DWNPJUWESYIHKO-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192258;MM192258;N=CNC1=CC(N)C=C1;VZOYMFORLBVTGD-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192259;MM192259;NC1C=CC(NC=O)=C1;LDDNBJPZKOEGHJ-UHFFFAOYSA-N;124.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192260;MM192260;N=CNC1=CC(O)C=C1;CYIJARRISZSVIA-UHFFFAOYSA-N;124.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192261;MM192261;O=CNC1=CC(O)C=C1;NCFLHMUUZROOMH-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192262;MM192262;N=CNC1=CC(F)C=C1;TXYQPNNKWSFDBE-UHFFFAOYSA-N;126.13;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192263;MM192263;O=CNC1=CC(F)C=C1;KEYFJNXETSQNLP-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192264;MM192264;C=COC1=CC(C)C=C1;HZRSXTOTBZBABQ-UHFFFAOYSA-N;122.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192265;MM192265;C=COC1=CC(N)C=C1;OIAQUGZRMWMSGW-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192266;MM192266;C=COC1=CC(O)C=C1;UERGBXRCBICOSD-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192267;MM192267;C=COC1=CC(F)C=C1;IUDOQKNJFLBVPC-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192268;MM192268;C=CNC1=NC(C)C=C1;NFBWSFIFHHWDQA-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192269;MM192269;C=CCc1ccn(C)c1;XHUDWDDTULNQMP-UHFFFAOYSA-N;121.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192270;MM192270;Cn1ccc(CC=O)c1;UGSNKLRADUEOMH-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192271;MM192271;Cn1ccc(CC#N)c1;SLGOKMMWDSCHSH-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192272;MM192272;C=CCc1ccn(N)c1;FJHCNLYVHHJTPG-UHFFFAOYSA-N;122.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192273;MM192273;C=CCc1ccn(O)c1;YLBVSSBUXYDKCX-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192274;MM192274;O=CCc1ccn(O)c1;WOSXBACEMQLGQE-UHFFFAOYSA-N;125.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192275;MM192275;N#CCc1ccn(O)c1;TZOTUVPVAXMBLA-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192276;MM192276;Cn1ccc(NC=N)c1;RYKKRBIBCJDEFH-UHFFFAOYSA-N;123.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192277;MM192277;Cn1ccc(NC=O)c1;DYBVBAMXRIJGCE-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192278;MM192278;N=CNc1ccn(N)c1;FCXVCUQMOJPFOJ-UHFFFAOYSA-N;124.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192279;MM192279;CON=CC1C(O)C1O;SPLQJDBGNMAZMS-UHFFFAOYSA-N;131.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192280;MM192280;O=CNc1ccn(O)c1;IESOMZAJIVQIAQ-UHFFFAOYSA-N;126.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192281;MM192281;C=COc1ccn(C)c1;FESIUVYDHWDBPG-UHFFFAOYSA-N;123.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192282;MM192282;C=COc1ccn(N)c1;STFOVZUNMIYMRY-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192283;MM192283;C=COc1ccn(O)c1;ULGLHKBDMCVYQM-UHFFFAOYSA-N;125.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192284;MM192284;C=CCc1cnn(C)c1;ZERVVYATDRNKEY-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192285;MM192285;CN=c1ncncn1O;SYRVUFXMDDPZIT-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192286;MM192286;C=C(CC)NC(=O)N(C)N;YSVJPMHWGXNHHS-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192287;MM192287;C=CCc1cnn(N)c1;OYHVZGFEUADALO-UHFFFAOYSA-N;123.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192288;MM192288;C=CCc1cnn(O)c1;DGMYMNBFKOJDAM-UHFFFAOYSA-N;124.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192289;MM192289;O=CCc1cnn(O)c1;SYGHBBKFEWNSPK-UHFFFAOYSA-N;126.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192290;MM192290;N#CCc1cnn(O)c1;NXAFCCSBLISVDH-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192291;MM192291;Cn1cc(NC=O)cn1;FEYACKFXZMCKSN-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192292;MM192292;C=COc1cnn(C)c1;FJNWDBHRYSNTOI-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192293;MM192293;C=COc1cnn(N)c1;XQSANWFMTNYKGI-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192294;MM192294;C=COc1cnn(O)c1;OHWPRACFMXPGPH-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192295;MM192295;C=CCc1cn(C)cn1;VASQRJNIELFCAA-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192296;MM192296;C=NNC(CC(N)=O)=NN;FELUXRBZLOVOKD-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192297;MM192297;C=CCc1cn(N)cn1;DUPOWNPDAUVJPC-UHFFFAOYSA-N;123.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192298;MM192298;C#CC(CC(N)=O)=NNC;CMZCYLPMEAGPDE-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192299;MM192299;N#CCc1cn(O)cn1;UVBAWVMMBVKUFD-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192300;MM192300;Cc1cc(=N)nc(CO)o1;MPZSNCPIHGIRRA-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192301;MM192301;N=CNc1cn(N)cn1;YHGHUDPUQGMSBI-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192302;MM192302;Nn1cnc(NC=O)c1;JMGXEUZTBDXCRZ-UHFFFAOYSA-N;126.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192303;MM192303;C=C(C)C(O)CON=CC;GPJJFOFBUBNKIB-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192304;MM192304;C=COc1cn(C)cn1;MNZPOPRBUMPNON-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192305;MM192305;C=COc1cn(N)cn1;ZNYBYLTWUMOOOL-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192306;MM192306;C=COc1cn(O)cn1;MTTFTOMJKYSHPF-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192307;MM192307;C=CCc1cn(C)nn1;DKTJPMIZEDAZAP-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192308;MM192308;Cn1cc(CC#N)nn1;AHTBGEZPKPRECN-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192309;MM192309;C=CCc1cn(N)nn1;BUMPOFVQNRATEJ-UHFFFAOYSA-N;124.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192310;MM192310;Cn1cc(NC=N)nn1;BSQLRLGAJHLHCK-UHFFFAOYSA-N;125.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192311;MM192311;N=CNc1cn(N)nn1;OZNLAEIULDXRRY-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192312;MM192312;N=CNc1cn(O)nn1;GJCHBQVQPCZJGB-UHFFFAOYSA-N;127.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192313;MM192313;C=COc1cn(C)nn1;SOLNZQSVXHFNOO-UHFFFAOYSA-N;125.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192314;MM192314;C=COc1cn(N)nn1;RTUIDSITVGVOLC-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192315;MM192315;C=CCc1ccn(C)n1;HNOVCQJHAZUQME-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192316;MM192316;Cn1ccc(CC#N)n1;FCZKETPZEHWCAI-UHFFFAOYSA-N;121.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192317;MM192317;C=CCc1ccn(N)n1;CBCDZESMTPJEAT-UHFFFAOYSA-N;123.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192318;MM192318;C=CCc1ccn(O)n1;PPPIHLYSEKDYSP-UHFFFAOYSA-N;124.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192319;MM192319;N#CCc1ccn(O)n1;NRTCFUPXQYWPFO-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192320;MM192320;C=COc1ccn(C)n1;PWSKHOGYADEMDB-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192321;MM192321;C=COc1ccn(N)n1;MFPZPKSHMCSNJW-UHFFFAOYSA-N;125.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192322;MM192322;C=COc1ccn(O)n1;JCOVOIOUMLBPRR-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192323;MM192323;C=CCc1cnn(C)n1;JHTUOZNPBPAWQP-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192324;MM192324;Cn1ncc(CC#N)n1;KTANEGWCDXJPOJ-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192325;MM192325;C=COc1cnn(C)n1;NQVAYQJPBRMKQP-UHFFFAOYSA-N;125.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192326;MM192326;C=CCc1ncn(C)n1;MESXJHHLEYLBOP-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192327;MM192327;C=CCc1ncn(N)n1;PDYLRGXUUKTUTH-UHFFFAOYSA-N;124.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192328;MM192328;C=NOC(C)C1(O)CC1C;HOROFKWGHJOJRZ-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192329;MM192329;NN=C1CCC(O)(CO)C1;WKSRKYQOMIUUSC-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192330;MM192330;C=COc1ncn(C)n1;KDPIPVHBNSJYDW-UHFFFAOYSA-N;125.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192331;MM192331;C=COc1ncn(N)n1;XPZYZUJUAZNYLJ-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192332;MM192332;C=CCc1nnn(C)n1;ABPAINKNOGXFAM-UHFFFAOYSA-N;124.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192333;MM192333;Cn1nnc(CC#N)n1;USHALZONPMHKPC-UHFFFAOYSA-N;123.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192334;MM192334;C#CC(C)OC(CO)=NN;TXKANZRYWHZCRO-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192335;MM192335;C=COc1nnn(C)n1;UZQQPXXZASIKIX-UHFFFAOYSA-N;126.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192336;MM192336;C#CCC1=CC(C)C=C1;AJMKAQUCPDOMIP-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192337;MM192337;C#CCC1=CC(N)C=C1;DVUAITFWPNSRLQ-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192338;MM192338;C#CCC1=CC(O)C=C1;WFAKHRYUHJNYQR-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192339;MM192339;C#CCC1=CC(F)C=C1;WZFAEHNPNWUZML-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192340;MM192340;C#CCc1ccn(C)c1;DCCRIJWZRANMFX-UHFFFAOYSA-N;119.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192341;MM192341;C#CCc1ccn(N)c1;ZLUDCCZRAVGRLR-UHFFFAOYSA-N;120.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192342;MM192342;C#CCc1ccn(O)c1;LUUDGTTYQGPYDD-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192343;MM192343;C#CCc1cnn(C)c1;PCQIPKHNQIBHOT-UHFFFAOYSA-N;120.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192344;MM192344;C#CCc1cnn(N)c1;SPZVGVFIEMZRDO-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192345;MM192345;C#CCc1cnn(O)c1;SDLRJWYJYCQHSO-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192346;MM192346;C#CCc1cn(C)cn1;PQGVTRIECUJOIS-UHFFFAOYSA-N;120.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192347;MM192347;C#CCc1cn(N)cn1;XSFCXCBPPUWQJI-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192348;MM192348;COC(CO)=NN(C)C=N;NEYFTFZJVXEEBX-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192349;MM192349;C#CCc1cn(C)nn1;CLAOQDQPPDWSRW-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192350;MM192350;C#CCc1cn(N)nn1;KVSFWEROSLKRIE-UHFFFAOYSA-N;122.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192351;MM192351;C#CCc1ccn(C)n1;BSMMTKGVSNWAJZ-UHFFFAOYSA-N;120.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192352;MM192352;C#CCc1ccn(N)n1;HNKSUKSARKLKES-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192353;MM192353;C#CCc1ccn(O)n1;FUFUKXXITDACSG-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192354;MM192354;C#CCc1cnn(C)n1;BXQBNUUOCJESLM-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192355;MM192355;C#CCc1ncn(C)n1;KTWVGOUULYXOAE-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192356;MM192356;C#CCc1ncn(N)n1;LCPBFWTVBFJPSV-UHFFFAOYSA-N;122.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192357;MM192357;C#CCc1nnn(C)n1;SPLDIAFNPPUIGR-UHFFFAOYSA-N;122.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192358;MM192358;C=C1C=CC(CCC)=C1;PQJZHJRILPBMBT-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192359;MM192359;C=C1C=CC(CCN)=C1;HGWMKYJCYHTMMA-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192360;MM192360;NN=C(CO)OCC(N)=O;GJEZTLHCBAWUOD-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192361;MM192361;CCCC1=CC(=O)C=C1;RUFIELTXSCLJOT-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192362;MM192362;C=C1C=CC(CNC)=C1;RAJDXXIZVUSLAN-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192363;MM192363;CNCC1=CC(=O)C=C1;WDRPJNAZUGEEDU-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192364;MM192364;CCNC1=CC(=O)C=C1;QEKZOMADONCMHO-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192365;MM192365;C=C1C=CC(OCC)=C1;YWBRGJZBPDPINL-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192366;MM192366;CCOC1=CC(=O)C=C1;MJWIVGKQBSVLCZ-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192367;MM192367;N=C1C=C(CCN)C=N1;DKRKXPRWZLIDFH-UHFFFAOYSA-N;123.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192368;MM192368;CCCC1=CC(=O)N=C1;MNJGMWSZKBWNIO-UHFFFAOYSA-N;123.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192369;MM192369;NCCC1=CC(=O)N=C1;JACGSHJHEBSQHO-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192370;MM192370;CNCC1=CC(=N)N=C1;IQLNRCHEWAOWLO-UHFFFAOYSA-N;123.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192371;MM192371;CNCC1=CC(=O)N=C1;SEGYSFVABKBSCV-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192372;MM192372;CCNC1=CC(=N)N=C1;DFLMRECJKFDMHL-UHFFFAOYSA-N;123.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192373;MM192373;CC(O)C#CC(=NN)NN;XTSKZHTYTKGHOE-UHFFFAOYSA-N;142.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192374;MM192374;CCOC1=CC(=N)N=C1;NTWGZDSCFOWSNZ-UHFFFAOYSA-N;124.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192375;MM192375;CCOC1=CC(=O)N=C1;MOPVVHQGIXQZAM-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192376;MM192376;NN=C(C#CC(N)=O)CO;XPNNRBVAHJBFHM-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192377;MM192377;CCOC1=CC(=O)C=N1;PPKAEUIMKSHNJA-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192378;MM192378;N=C1C=CC(CCN)=N1;HWGDEIDSWDEBHM-UHFFFAOYSA-N;123.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192379;MM192379;CCCC1=NC(=O)C=C1;YLRHHGIXVHCRFM-UHFFFAOYSA-N;123.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192380;MM192380;NCCC1=NC(=O)C=C1;QTIIIGMMTIFNDJ-UHFFFAOYSA-N;124.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192381;MM192381;CNCC1=NC(=O)C=C1;JAOLORZXUOJSJW-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192382;MM192382;CCCC1=NC(=N)N=C1;ZSNLEFHHOBRYIL-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192383;MM192383;N=C1N=CC(CCN)=N1;GYNPPRIMLRKMJO-UHFFFAOYSA-N;124.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192384;MM192384;CCCC1=NC(=O)N=C1;DFLHQCADYYJCDB-UHFFFAOYSA-N;124.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192385;MM192385;NCCC1=NC(=O)N=C1;XFMMTBDPJPTVFW-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192386;MM192386;CCCC1=NC(=N)C=N1;ILNJRCBKPJMRNG-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192387;MM192387;N=C1C=NC(CCN)=N1;FIZOYZZTWUVOBF-UHFFFAOYSA-N;124.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192388;MM192388;CCCC1=NC(=O)C=N1;GBWGUJQAXXFBQD-UHFFFAOYSA-N;124.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192389;MM192389;NCCC1=NC(=O)C=N1;AIJIXLHACDTPTR-UHFFFAOYSA-N;125.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192390;MM192390;CON=CC(O)C=CC#N;PVAKYIJVGMGSMB-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192391;MM192391;C=CCC1=CC(=C)C=C1;ZXQJAOUVCNJQAI-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192392;MM192392;C=C1C=CC(CC=O)=C1;JLNHIVWQASCZNS-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192393;MM192393;C=C1C=CC(CC#N)=C1;OYVIACJOASKUGT-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192394;MM192394;C=CCC1=CC(=O)C=C1;ZFPSKADECDSAJC-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192395;MM192395;O=CCC1=CC(=O)C=C1;VCBJGRCQFNWQLL-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192396;MM192396;N#CCC1=CC(=O)C=C1;SSNRTMXAFICREI-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192397;MM192397;C=C1C=CC(NC=N)=C1;MFWJGGDOJURWHH-UHFFFAOYSA-N;120.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192398;MM192398;C=C1C=CC(NC=O)=C1;VSMMBGHMIMKVKD-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192399;MM192399;N=CNC1=CC(=O)C=C1;GEUBYLBATMPJBO-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192400;MM192400;C=NOCC(O)C(=C)CC;LVCKKTZGFGHUQN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192401;MM192401;C=COC1=CC(=C)C=C1;RPDQPISJVYMYIY-UHFFFAOYSA-N;120.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192402;MM192402;C=COC1=CC(=O)C=C1;BMVNJTVNRIDTAM-UHFFFAOYSA-N;122.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192403;MM192403;CC=NNC(=N)C(O)CC;XHLMQBXUYFGZBH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192404;MM192404;N#CCC1=CC(=N)N=C1;QAOHAIFMDZEQRH-UHFFFAOYSA-N;119.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192405;MM192405;C=CCC1=CC(=O)N=C1;VFQVZNSTNFAARY-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192406;MM192406;O=CCC1=CC(=O)N=C1;PWWCMXBGTFFPKV-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192407;MM192407;N#CCC1=CC(=O)N=C1;VBZKMBOGOCKHCU-UHFFFAOYSA-N;120.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192408;MM192408;N=CNC1=CC(=N)N=C1;XYNHLSDZCHIQEG-UHFFFAOYSA-N;122.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192409;MM192409;CNN=CC(F)C(=O)CO;HWZHUSKDVDXLQT-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192410;MM192410;N=CNC1=CC(=O)N=C1;PXPKQGJYYDFDLT-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192411;MM192411;C=NNC1=CC(=N)N=C1;ZRAVPILRNSQNEE-UHFFFAOYSA-N;122.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192412;MM192412;CON=CC(F)C(=O)CO;GWOPZLPWQMVIQW-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192413;MM192413;C=COC1=CC(=N)N=C1;AAIDCXJNRLLOKQ-UHFFFAOYSA-N;122.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192414;MM192414;C=COC1=CC(=O)N=C1;KPHYJNPNVIFTGE-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192415;MM192415;C=CCC1=CC(=O)C=N1;ZLFDXHXVPFSDDG-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192416;MM192416;N#CCC1=CC(=O)C=N1;SPVUFNCNZWCYGV-UHFFFAOYSA-N;120.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192417;MM192417;CC(=CC=NN)C(O)CO;COKIRIRCVWQSAI-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192418;MM192418;C=COC1=CC(=O)C=N1;DVCDOROIKVHZPS-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192419;MM192419;C=CC1(O)C(C)C1NN=C;GJNZDKRYDKFVMH-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192420;MM192420;C=NOC(CO)OC=CF;ZQSTUJZJGDSOLY-UHFFFAOYSA-N;149.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192421;MM192421;C=CCC1=NC(=O)C=C1;JOJUTPATZLWDJK-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192422;MM192422;C=NOC(CO)OC=NN;ILMNXWIQPNBGSY-UHFFFAOYSA-N;147.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192423;MM192423;N#CCC1=NC(=O)C=C1;LSWIQEMXHHFRDQ-UHFFFAOYSA-N;120.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192424;MM192424;C=CN=C1C=CC(=O)N1;WPCMGJUZNGODNE-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192425;MM192425;C=COC1=NC(=N)C=C1;WOLARVMRDGSEAZ-UHFFFAOYSA-N;122.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192426;MM192426;C=COC1=NC(=O)C=C1;GNLVDRLDAIJVEV-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192427;MM192427;C=CCC1=NC(=N)N=C1;BROCNMPKPZNRPR-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192428;MM192428;N#CCC1=NC(=N)N=C1;HPSXEVPQJHXKQC-UHFFFAOYSA-N;120.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192429;MM192429;C=CCC1=NC(=O)N=C1;IYTXQEZLQNWNMS-UHFFFAOYSA-N;122.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192430;MM192430;N#CCC1=NC(=O)N=C1;UEPZKERNCOSPCE-UHFFFAOYSA-N;121.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192431;MM192431;C=CN=C1C=NC(=O)N1;RIINIRWMPGNOMV-UHFFFAOYSA-N;123.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192432;MM192432;C=COC1=NC(=N)N=C1;CHLJREKYSNULIB-UHFFFAOYSA-N;123.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192433;MM192433;C=COC1=NC(=O)N=C1;ZTYOZRKTEQLZCC-UHFFFAOYSA-N;124.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192434;MM192434;C=CCC1=NC(=N)C=N1;FPFKYXNAZFVNIO-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192435;MM192435;N#CCC1=NC(=N)C=N1;KIIIAGPHNYYOBJ-UHFFFAOYSA-N;120.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192436;MM192436;C=CCC1=NC(=O)C=N1;SPNCHQSFUBZIFD-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192437;MM192437;N#CCC1=NC(=O)C=N1;PGBUCFNYUMNROG-UHFFFAOYSA-N;121.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192438;MM192438;C=COC(CNC=O)=NN;HDLHWJKLZDISML-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192439;MM192439;C#CCOC(CO)=NNC;KNEBABVYJNFRPG-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192440;MM192440;CCOC(CO)=NNC=N;HLCXDPVPJXUCGP-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192441;MM192441;NN=CC=C(CF)NC=O;VJLZEIPWZLJZQW-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192442;MM192442;Cc1nnc(C)n(O)c1=N;BTMYBCRJPIBBIQ-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192443;MM192443;C#CCC1=CC(=C)C=C1;DFQNXGWAIDSLMW-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192444;MM192444;C#CCC1=CC(=O)C=C1;NLRVFZPWPCNJIW-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192445;MM192445;C#CCC1=CC(=N)N=C1;JKBBUBQDSYJSEF-UHFFFAOYSA-N;118.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192446;MM192446;C#CCC1=CC(=O)N=C1;GOVFEOVJEPQOOT-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192447;MM192447;C#CCC1=CC(=O)C=N1;YHOUUNDTIKSWCA-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192448;MM192448;C#CCC1=NC(=N)C=C1;YDRYVTFCMLHVJI-UHFFFAOYSA-N;118.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192449;MM192449;C#CCC1=NC(=O)C=C1;KLCVYCYEPSIIBG-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192450;MM192450;C#CCC1=NC(=N)N=C1;QNQWNEFJFHMXND-UHFFFAOYSA-N;119.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192451;MM192451;C#CCC1=NC(=O)N=C1;CNNWZOBEQYJBQP-UHFFFAOYSA-N;120.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192452;MM192452;C#CCC1=NC(=N)C=N1;FTZQPAQVLWKHMX-UHFFFAOYSA-N;119.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192453;MM192453;C#CCC1=NC(=O)C=N1;QHXQBAKFVLCOGW-UHFFFAOYSA-N;120.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192454;MM192454;CC=CC1=CC(C)C=C1;SGGDPEKVDZWXNP-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192455;MM192455;CC=CC1=CC(N)C=C1;WXJJJKXFFADXGO-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192456;MM192456;CC=CC1=CC(O)C=C1;ZRACJFHNMUZAMT-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192457;MM192457;CC=CC1=CC(F)C=C1;SPKHZLVUYYMZMV-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192458;MM192458;CN=c1nc(C)ncn1O;JQIRGULOPLRYDX-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192459;MM192459;CC1(O)C2N=C(CF)NC21;RNASBYQIEULWPV-UHFFFAOYSA-N;144.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192460;MM192460;CCOCOC(CO)=NN;BGPGSIDIWNVSFY-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192461;MM192461;CC=Cc1ccn(C)c1;GFPISJWYDHBLTK-UHFFFAOYSA-N;121.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192462;MM192462;CC=Cc1ccn(N)c1;UOAMKZDRMULQAA-UHFFFAOYSA-N;122.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192463;MM192463;CC=Cc1ccn(O)c1;JMDLSHGUCWAFJW-UHFFFAOYSA-N;123.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192464;MM192464;Cn1ccc(C=NN)c1;AHHXEWWLDAWPKX-UHFFFAOYSA-N;123.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192465;MM192465;NN=Cc1ccn(N)c1;DLQIYJYVRSBRKM-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192466;MM192466;C=NOCOC(CO)=NN;HJUPNKCFNVQRCN-UHFFFAOYSA-N;147.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192467;MM192467;CC=Cc1cnn(C)c1;UHKQSXSIENPOQL-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192468;MM192468;CC=Cc1cnn(N)c1;GHCSCYIIWXMVRD-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192469;MM192469;CC=Cc1cnn(O)c1;QEDWJPDAVABCOD-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192470;MM192470;Cn1cc(C=NN)cn1;UEOKNAHVSOPTTN-UHFFFAOYSA-N;124.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192471;MM192471;NN=Cc1cnn(N)c1;YLSZVPAULCOWEL-UHFFFAOYSA-N;125.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192472;MM192472;NN=Cc1cnn(O)c1;IWKKWIQMOJWCFJ-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192473;MM192473;CC=Cc1cn(C)cn1;ILFYZSRNEKFROD-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192474;MM192474;CC=Cc1cn(N)cn1;YEHKSSHIOGLQOG-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192475;MM192475;CC#CCOC(CO)=NN;KVXYXVFPODPYFP-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192476;MM192476;Cn1cnc(C=NN)c1;KNYPQEOMEKFKAR-UHFFFAOYSA-N;124.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192477;MM192477;CC=Cc1cn(C)nn1;GEEBTVWPKUPQTQ-UHFFFAOYSA-N;123.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192478;MM192478;CC=Cc1cn(N)nn1;FBIRYBXRUOQWCM-UHFFFAOYSA-N;124.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192479;MM192479;Cn1cc(C=NN)nn1;IXHXJTMXMGSUQS-UHFFFAOYSA-N;125.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192480;MM192480;CC=Cc1ccn(C)n1;IDNJXAYHUDAWPM-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192481;MM192481;CC=Cc1ccn(N)n1;UQQDQPZTXWCZKJ-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192482;MM192482;CC=Cc1ccn(O)n1;XVFNUZLLBNTHAZ-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192483;MM192483;CC=Cc1cnn(C)n1;CNOHPDOFEBPXSU-UHFFFAOYSA-N;123.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192484;MM192484;CC=Cc1ncn(C)n1;VECASHBGIQTVLF-UHFFFAOYSA-N;123.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192485;MM192485;CC=Cc1ncn(N)n1;CKJFPCBGKNVPRU-UHFFFAOYSA-N;124.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192486;MM192486;CC=Cc1nnn(C)n1;OMXSLOJMPVAALX-UHFFFAOYSA-N;124.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192487;MM192487;C=C1C=CC(C=CC)=C1;OPPJAUKSJBRGKP-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192488;MM192488;CC=CC1=CC(=O)C=C1;MBSLJIHTBVLBLM-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192489;MM192489;C=C1C=CC(C=NN)=C1;MPHZZPIKGADKJD-UHFFFAOYSA-N;120.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192490;MM192490;CC=CC1=CC(=O)N=C1;MZSQAFIOWBYOMX-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192491;MM192491;N=C1C=C(C=NN)C=N1;DUGAORHBCDJONC-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192492;MM192492;NN=CC1=CC(=O)N=C1;QSRNUKWYKRMNMR-UHFFFAOYSA-N;123.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192493;MM192493;CC=CC1=CC(=O)C=N1;GALRQQMQYBEOAW-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192494;MM192494;N=CC=C1C=CC(=N)N1;ULONXBMSTJPPPW-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192495;MM192495;CC=CC1=NC(=O)C=C1;UARASANPKXEMAL-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192496;MM192496;N=CC=C1C=CC(=O)N1;RIEDXZDKDTUOQH-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192497;MM192497;N=NC=C1C=CC(=N)N1;UBIOFPXTTBCERA-UHFFFAOYSA-N;122.13;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192498;MM192498;N=NC=C1C=CC(=O)N1;FJAFQKKQKZRJBO-UHFFFAOYSA-N;123.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192499;MM192499;CC=CC1=NC(=N)N=C1;MWNKABMFBFDUHR-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192500;MM192500;N=CC=C1C=NC(=N)N1;YVWJBALAVJZTHS-UHFFFAOYSA-N;122.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192501;MM192501;CC=CC1=NC(=O)N=C1;CDTWBSFWFLQGAX-UHFFFAOYSA-N;122.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192502;MM192502;N=NC=C1C=NC(=N)N1;YEZWPPUNWYMOAY-UHFFFAOYSA-N;123.12;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192503;MM192503;N=NC=C1C=NC(=O)N1;VHCGDDLKVCRCCC-UHFFFAOYSA-N;124.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192504;MM192504;CC=CC1=NC(=N)C=N1;NLJFLMYZPMEUMS-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192505;MM192505;CC=CC1=NC(=O)C=N1;GEZQIKZHWAQXDV-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192506;MM192506;NC=CC1=NC(=O)C=N1;AUHHEJGASAEHAH-UHFFFAOYSA-N;123.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192507;MM192507;CC#CC1=CC(C)C=C1;ISQTUEZCSRPECK-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192508;MM192508;CC#CC1=CC(N)C=C1;VEAYHUPMGUHYCI-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192509;MM192509;CC#CC1=CC(O)C=C1;FNMDRVNVXAIASP-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192510;MM192510;CC#CC1=CC(F)C=C1;RNRHSSNXDJKFDL-UHFFFAOYSA-N;122.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192511;MM192511;CC#Cc1ccn(C)c1;GYRHNYTVANJTCE-UHFFFAOYSA-N;119.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192512;MM192512;CC#Cc1ccn(N)c1;NZZCSAGDPQAGEC-UHFFFAOYSA-N;120.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192513;MM192513;CC#Cc1ccn(O)c1;HRIHNLZDDBSMIL-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192514;MM192514;CC#Cc1cnn(C)c1;UIANIOYRWPDUHK-UHFFFAOYSA-N;120.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192515;MM192515;CC#Cc1cnn(N)c1;JVEFQOPYKPGXRI-UHFFFAOYSA-N;121.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192516;MM192516;CC#Cc1cnn(O)c1;GYZIBGCHIMJZKC-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192517;MM192517;CC#Cc1cn(C)cn1;IJMCFDIHTSAHDH-UHFFFAOYSA-N;120.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192518;MM192518;CC#Cc1cn(N)cn1;QAOKQNWSQHXWNW-UHFFFAOYSA-N;121.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192519;MM192519;CC#Cc1cn(O)cn1;FVXGLNGZXLRQMR-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192520;MM192520;CC#Cc1cn(C)nn1;KPVOPUQJXFKRSQ-UHFFFAOYSA-N;121.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192521;MM192521;CC#Cc1cn(N)nn1;HJGDSONQPTWBFI-UHFFFAOYSA-N;122.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192522;MM192522;CC#Cc1ccn(C)n1;YMJSFRDHHLWRTE-UHFFFAOYSA-N;120.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192523;MM192523;CC#Cc1ccn(N)n1;ZNKVYSYQLBCKRG-UHFFFAOYSA-N;121.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192524;MM192524;CC#Cc1ccn(O)n1;OFRDDNVAURORFH-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192525;MM192525;CC#Cc1cnn(C)n1;WKRBXBHLZYPPQU-UHFFFAOYSA-N;121.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192526;MM192526;CC#Cc1ncn(C)n1;GCCDITOHYLYWOE-UHFFFAOYSA-N;121.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192527;MM192527;CC#Cc1ncn(N)n1;KOWYXVHZXZBANQ-UHFFFAOYSA-N;122.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192528;MM192528;CC#Cc1nnn(C)n1;KBXLSWSSKCEUPG-UHFFFAOYSA-N;122.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192529;MM192529;C=C1C=CC(C#CC)=C1;UKXXQTFALQIQND-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192530;MM192530;CC#CC1=CC(=O)C=C1;HVTHKYHJWNBQKN-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192531;MM192531;CC#CC1=CC(=N)N=C1;YLPCZTKLPMFMEK-UHFFFAOYSA-N;118.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192532;MM192532;CC#CC1=CC(=O)N=C1;VLIXXBZPJFMEIG-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192533;MM192533;CC#CC1=CC(=O)C=N1;DZYFUEXJNHXAGV-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192534;MM192534;CC#CC1=NC(=N)C=C1;JFXMNSNUUDFLEG-UHFFFAOYSA-N;118.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192535;MM192535;CC#CC1=NC(=O)C=C1;IDHQGOZRSNSRPK-UHFFFAOYSA-N;119.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192536;MM192536;CC#CC1=NC(=N)N=C1;OXRFIWZTXMHFNY-UHFFFAOYSA-N;119.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192537;MM192537;CC#CC1=NC(=O)N=C1;AYJUPCQGHOIEQL-UHFFFAOYSA-N;120.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192538;MM192538;CC#CC1=NC(=N)C=N1;BLCLCESZUKXPPY-UHFFFAOYSA-N;119.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192539;MM192539;CC#CC1=NC(=O)C=N1;IKXAIRHROWZXER-UHFFFAOYSA-N;120.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192540;MM192540;CCCC1=CC(C)=CC1;MCGIBMJIZPHDOW-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192541;MM192541;CC1=CCC(CCN)=C1;SKIPAUGVVHRYMZ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192542;MM192542;CC1=CCC(CCO)=C1;CESVPDSWRSOJSM-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192543;MM192543;CCCC1=CC(F)=CC1;GXUIVKUFSBAFGS-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192544;MM192544;NCCC1=CC(F)=CC1;OZDHGDSDGBKTAI-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192545;MM192545;CNCC1=CC(C)=CC1;QIGAEYWNCQVNQW-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192546;MM192546;CNCC1=CC(F)=CC1;FRQKQGGVNXLJHT-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192547;MM192547;CCOC1=CC(C)=CC1;AZXSUKAIJOVZBG-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192548;MM192548;CCOC1=CC(F)=CC1;SDMPOPTVPDICET-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192549;MM192549;CCCc1cc(C)c[nH]1;YLCUKLFSRCDQSS-UHFFFAOYSA-N;123.2;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192550;MM192550;Cc1c[nH]c(CCN)c1;PTHDPKOKKXPGKS-UHFFFAOYSA-N;124.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192551;MM192551;COC(CO)=NNCCO;NECKLJRAFRFYGN-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192552;MM192552;NCCc1cc(N)c[nH]1;JNTHPMCVDFVUFB-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192553;MM192553;NCCc1cc(O)c[nH]1;FQXIIOFAOLNKTO-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192554;MM192554;CCCc1cc(F)c[nH]1;QNONULHGTWKTKE-UHFFFAOYSA-N;127.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192555;MM192555;NCCc1cc(F)c[nH]1;BRUNKQYISTVMGC-UHFFFAOYSA-N;128.15;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192556;MM192556;COC(CO)=NNC=NN;GNACJUFDJIPNCL-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192557;MM192557;NN=C(CO)C(O)CCO;ZQCNEQXSKLNFJK-UHFFFAOYSA-N;148.16;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192558;MM192558;N=c1nc(CN)ncn1O;NHXVAELFJBMVQH-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192559;MM192559;CCCc1cc(F)n[nH]1;BNOGGFWBVJPJTR-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192560;MM192560;CCCc1cc(C)co1;RPYZCTABWNSIJH-UHFFFAOYSA-N;124.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192561;MM192561;CCCc1cc(N)co1;UZJJSKCRUUDZGY-UHFFFAOYSA-N;125.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192562;MM192562;NCCc1cc(N)co1;HAWMCDYVSDFVFS-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192563;MM192563;CCCc1cc(F)co1;BBAMPCQSJSDLFV-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192564;MM192564;CNCc1cc(C)co1;QKQCAOMBQDRIKA-UHFFFAOYSA-N;125.17;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192565;MM192565;CCNc1cc(C)co1;KRDLSZIWRQSYAV-UHFFFAOYSA-N;125.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192566;MM192566;CCNc1cc(N)co1;OICUSYHVWGKCFE-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192567;MM192567;CCCc1cc(C)no1;ZKTUHSWKCCHIPY-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192568;MM192568;CCCc1cc(F)no1;GGEVDTYVUSRFEM-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192569;MM192569;CCCc1nc(O)c[nH]1;HLTZABLWOXJGCW-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192570;MM192570;N=c1nc(CF)ncn1O;GYJVIMFPUHIJFA-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192571;MM192571;N=c1nc(C=O)ncn1O;SRNQLSJIVJPSQU-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192572;MM192572;N#Cc1ncn(O)c(=N)n1;DXQFKDDVTUIGGI-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192573;MM192573;C#Cc1ncn(O)c(=N)n1;RCYUGRSCFAWPED-UHFFFAOYSA-N;136.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192574;MM192574;CCCc1nc(C)co1;BUOGNIOVIYHMFO-UHFFFAOYSA-N;125.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192575;MM192575;C=NNC1=NC(CC)C=C1;YACHYCKWRLLNDC-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192576;MM192576;CCCc1nc(F)co1;DZFFSXZPUNSCJD-UHFFFAOYSA-N;129.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192577;MM192577;CN=Nc1c[nH]c(CO)c1;YJOUADJLJGXPDU-UHFFFAOYSA-N;139.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192578;MM192578;C=COC1=CC(=NN)OC1;CAUMOOIFFCEMOC-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192579;MM192579;CCCc1nc(C)no1;VPNWSCPWRVXGFZ-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192580;MM192580;CCCc1nc(N)no1;FGVPQJAXBWVEOO-UHFFFAOYSA-N;127.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192581;MM192581;Nn1oc(=NO)n(O)c1=O;JDNBUMAMAJGTQR-UHFFFAOYSA-N;148.08;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192582;MM192582;CCNc1nc(C)no1;YZXZTRCVQUPXTR-UHFFFAOYSA-N;127.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192583;MM192583;C=CCC1=CC(C)=CC1;AIFSYLSMDQSKTR-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192584;MM192584;CC1=CCC(CC=O)=C1;CZWNHOAYMLFOLO-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192585;MM192585;CC1=CCC(CC#N)=C1;ZXVDDNGYVBNCBH-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192586;MM192586;C=CCC1=CC(F)=CC1;QUUSEGJBLBUVCH-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192587;MM192587;O=CCC1=CC(F)=CC1;JHRMETJVHZDQSR-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192588;MM192588;N#CCC1=CC(F)=CC1;DSKQOHUWYZRCRY-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192589;MM192589;CC1=CCC(NC=N)=C1;AIZRBPODHWTMRU-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192590;MM192590;CC1=CCC(NC=O)=C1;CQGBYMFXPWGDNC-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192591;MM192591;N=CNC1=CC(F)=CC1;YVJRGUBGQFOWEW-UHFFFAOYSA-N;126.13;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192592;MM192592;O=CNC1=CC(F)=CC1;GHUVXIXUDDLLDZ-UHFFFAOYSA-N;127.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192593;MM192593;C=COC1=CC(C)=CC1;UGCYFVHXRHOUPB-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192594;MM192594;C=COC1=CC(F)=CC1;LIFUSJISUPXKHW-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192595;MM192595;C=CCc1cc(C)c[nH]1;JYRKDVBFXWEPPB-UHFFFAOYSA-N;121.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192596;MM192596;Cc1c[nH]c(CC#N)c1;SHENOOYTCPENAZ-UHFFFAOYSA-N;120.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192597;MM192597;C=NNc1cc(N=N)c[nH]1;XGENMLYJEMEEOI-UHFFFAOYSA-N;137.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192598;MM192598;N#CCc1cc(N)c[nH]1;GGDKWICBJGILQT-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192599;MM192599;C=CCc1cc(F)c[nH]1;YGQZDGVYLBFOFD-UHFFFAOYSA-N;125.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192600;MM192600;N#CCc1cc(F)c[nH]1;MWWWKHOFRADXEH-UHFFFAOYSA-N;124.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192601;MM192601;Cc1c[nH]c(NC=N)c1;RVHXUUHOJCBEGP-UHFFFAOYSA-N;123.16;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192602;MM192602;Cc1c[nH]c(NC=O)c1;ZETVVQYZHDHSLJ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192603;MM192603;N=CNc1cc(N)c[nH]1;BRMGSRNNABMRAY-UHFFFAOYSA-N;124.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192604;MM192604;NN=c1oc(CO)cn1O;XVHJXMYWCFAQCA-UHFFFAOYSA-N;145.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192605;MM192605;N=CNc1cc(F)c[nH]1;BMCRDMMIPZGECB-UHFFFAOYSA-N;127.12;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192606;MM192606;C=COc1cc(C)c[nH]1;CPJKIYIYDQYDJW-UHFFFAOYSA-N;123.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192607;MM192607;C=Nn1nnc(CO)c1C;QDWGLMBMNWWJPS-UHFFFAOYSA-N;140.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192608;MM192608;C=COc1cc(F)c[nH]1;WZXGPXRGXJKJHR-UHFFFAOYSA-N;127.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192609;MM192609;Cc1cc(NC=N)[nH]n1;XUFOYXKRYZQBFY-UHFFFAOYSA-N;124.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192610;MM192610;C#CC=CNC(=O)C1CN1;RKEAJRZAJVIHEZ-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192611;MM192611;C=COc1cc(C)n[nH]1;KFODWJTZDVOGLS-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192612;MM192612;C=CCc1cc(C)co1;KPUMUWUZYMDBDU-UHFFFAOYSA-N;122.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192613;MM192613;Cc1coc(CC#N)c1;ILJZWYYEPDGNNR-UHFFFAOYSA-N;121.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192614;MM192614;C=CCc1cc(N)co1;RPKLYZHFVKWDET-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192615;MM192615;N#CCc1cc(N)co1;RSGHNADNRDOHFO-UHFFFAOYSA-N;122.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192616;MM192616;C=CCc1cc(F)co1;IFISVOXNTFTXPY-UHFFFAOYSA-N;126.13;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192617;MM192617;N#CCc1cc(F)co1;KXZNSPLJQYQGMF-UHFFFAOYSA-N;125.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192618;MM192618;Cc1coc(NC=N)c1;ITSLVTRBOBSRJA-UHFFFAOYSA-N;124.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192619;MM192619;N=CNc1cc(N)co1;NDMKKLCBULDTFQ-UHFFFAOYSA-N;125.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192620;MM192620;C=COc1cc(C)co1;AKTAAUXTFVBIEC-UHFFFAOYSA-N;124.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192621;MM192621;C=COc1cc(N)co1;YKWWLSNDNVJYSO-UHFFFAOYSA-N;125.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192622;MM192622;C=CCc1cc(C)no1;CUILXSMTIBTCHY-UHFFFAOYSA-N;123.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192623;MM192623;Cc1cc(CC#N)on1;PLWQNSRWYPPKMY-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192624;MM192624;C=CCc1cc(F)no1;DLWFDAYBBAVDIN-UHFFFAOYSA-N;127.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192625;MM192625;N#CCc1cc(F)no1;FNTQAZUGNBTTQC-UHFFFAOYSA-N;126.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192626;MM192626;CN1Cc2cn(O)c(N)c21;AMGIMABDIUIYNB-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192627;MM192627;C=COc1cc(C)no1;UASVBIYOEYXYEL-UHFFFAOYSA-N;125.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192628;MM192628;C=COc1cc(F)no1;KITBWRPLBJLXFW-UHFFFAOYSA-N;129.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192629;MM192629;CC1CN(N)C(=O)N1;IFEZQVJZSSTUGX-UHFFFAOYSA-N;115.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192630;MM192630;CCOC(CO)=NN;FHGFAFJYGGYFAR-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192631;MM192631;CC(C)OC(CO)=NN;GLKVMKHGGXUINK-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192632;MM192632;C=COc1nc(N)n[nH]1;VSFMLSIHOUGTGE-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192633;MM192633;C=CCc1nc(C)co1;CVMNMURHCPNJBY-UHFFFAOYSA-N;123.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192634;MM192634;Cc1coc(CC#N)n1;OODPBBYZKURTAK-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192635;MM192635;C#CC(CC(N)=O)=NN;FJJKJKKPQAQXQH-UHFFFAOYSA-N;125.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192636;MM192636;N#CCc1nc(N)co1;DIFWICRODRBVHX-UHFFFAOYSA-N;123.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192637;MM192637;C=CCc1nc(F)co1;INPRBUZDWMWIBW-UHFFFAOYSA-N;127.12;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192638;MM192638;N#CCc1nc(F)co1;FTDAMORBTFMNSX-UHFFFAOYSA-N;126.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192639;MM192639;CNN=CC(O)C=CF;MXIFIJCMDHYQPL-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192640;MM192640;N=CNc1nc(N)co1;ROXCXRKRVTYWEQ-UHFFFAOYSA-N;126.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192641;MM192641;C=COc1nc(C)co1;PWJFPUUFYTYVKI-UHFFFAOYSA-N;125.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192642;MM192642;C=COc1nc(N)co1;YODMNYRFBNSUHT-UHFFFAOYSA-N;126.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192643;MM192643;C=CCc1nc(C)no1;JCNPKLAQPRFUJO-UHFFFAOYSA-N;124.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192644;MM192644;Cc1noc(CC#N)n1;VASMWVCYNGXIJC-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192645;MM192645;C=CCc1nc(N)no1;CTBDJKRKVWZTRL-UHFFFAOYSA-N;125.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192646;MM192646;N#CCc1nc(N)no1;XIUCLUHYGRAJIX-UHFFFAOYSA-N;124.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192647;MM192647;Cc1oc(=N)[nH]c1F;ZUJHYKFGOXRIRS-UHFFFAOYSA-N;116.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192648;MM192648;O=CONC(=O)C(F)(F)F;IXQMJOFGEGVPIG-UHFFFAOYSA-N;157.05;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192649;MM192649;N=C(CO)N(O)C=NN;BMIRDKDNJZNDGS-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192650;MM192650;C=COc1nc(C)no1;YIEZJGYRCLVINP-UHFFFAOYSA-N;126.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192651;MM192651;C#CCC1=CC(C)=CC1;OPHHQSABJKSWTC-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192652;MM192652;C#CCC1=CC(F)=CC1;AIHNIXOZNVDTDM-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192653;MM192653;C#CCc1cc(C)c[nH]1;LYRMMEVWCKOGKG-UHFFFAOYSA-N;119.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192654;MM192654;C#CC(=N)N(O)C=NN;ZDUIQBYTMURBQH-UHFFFAOYSA-N;126.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192655;MM192655;C#CCc1cc(F)c[nH]1;ITETWKBWSYWXGW-UHFFFAOYSA-N;123.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192656;MM192656;C#CCc1cc(C)co1;LBYTZIOMDMLVKY-UHFFFAOYSA-N;120.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192657;MM192657;C#CCc1cc(N)co1;HBOOTDMRQRSODV-UHFFFAOYSA-N;121.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192658;MM192658;C#CCc1cc(F)co1;VVNVQKQKKWWWLC-UHFFFAOYSA-N;124.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192659;MM192659;C#CCc1cc(C)no1;QEEXJKJWSHZEEA-UHFFFAOYSA-N;121.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192660;MM192660;C#CCc1cc(F)no1;BOJQOUMYKBHFCN-UHFFFAOYSA-N;125.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192661;MM192661;C#CCc1nc(C)co1;STZQRPHUIFEKMZ-UHFFFAOYSA-N;121.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192662;MM192662;CCOC(CO)=NNC;FZHUJCWGLTZPAT-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192663;MM192663;C#CCc1nc(F)co1;KOCMLAMPTYKACV-UHFFFAOYSA-N;125.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192664;MM192664;C#CCc1nc(C)no1;GRAVJIQUPGSCQF-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192665;MM192665;C#CCc1nc(N)no1;GBELPTVCJAEFIB-UHFFFAOYSA-N;123.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192666;MM192666;O=c1nc(F)cc(F)n1O;XKGJGOJTNLDFPJ-UHFFFAOYSA-N;148.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192667;MM192667;CC=CC1=CC(C)=CC1;JGXWFLIGEHNLII-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192668;MM192668;CC=CC1=CC(F)=CC1;IHUWZZFUGGUMDC-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192669;MM192669;NN=C1CC(O)C(O)C1;ZXASBNNNWGIFBB-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192670;MM192670;NN=C1CC(O)C(F)C1;VMRPDEHCCROIPW-UHFFFAOYSA-N;132.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192671;MM192671;CC=Cc1cc(C)c[nH]1;CPHYLVGDJGDUDT-UHFFFAOYSA-N;121.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192672;MM192672;CCNc1nc(N)co1;CPLUUKYDZOEMNU-UHFFFAOYSA-N;127.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192673;MM192673;CC=Cc1cc(F)c[nH]1;FKYCGIQSOKQXSD-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192674;MM192674;CNn1ccc(N)c1O;DPGHXSUSDXKTIB-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192675;MM192675;CC=Cc1cc(F)n[nH]1;QRWLFBNCFMRHOI-UHFFFAOYSA-N;126.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192676;MM192676;CC=Cc1cc(C)co1;OJUTUQZKWDNCBN-UHFFFAOYSA-N;122.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192677;MM192677;CC=Cc1cc(N)co1;JZYOLZXPABMVEF-UHFFFAOYSA-N;123.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192678;MM192678;CC=Cc1cc(F)co1;MEPDVNAOPOSNAG-UHFFFAOYSA-N;126.13;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192679;MM192679;CC=Cc1cc(C)no1;YFCGUICCZOJPGV-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192680;MM192680;CC=Cc1cc(F)no1;OAAVWEOUQISCOX-UHFFFAOYSA-N;127.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192681;MM192681;CC=Cc1nc(O)c[nH]1;GNLFOMMPBDRIPQ-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192682;MM192682;CC=Cc1nc(C)co1;DJJJGCSYGACGIH-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192683;MM192683;CCCOC(CO)=NN;DONZZMXPGIDADP-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192684;MM192684;CC=Cc1nc(F)co1;IFONCIBZSUBPJL-UHFFFAOYSA-N;127.12;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192685;MM192685;CC=Cc1nc(C)no1;VWWVUJUJNFNQQE-UHFFFAOYSA-N;124.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192686;MM192686;CC=Cc1nc(N)no1;JQQWJJJJZLEGPY-UHFFFAOYSA-N;125.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192687;MM192687;CC#CC1=CC(C)=CC1;QMRQJWBALYSORT-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192688;MM192688;CC#CC1=CC(F)=CC1;FTJQVQKIWQEWMT-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192689;MM192689;CC#Cc1cc(C)c[nH]1;RUFQXFNMQBBBKA-UHFFFAOYSA-N;119.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192690;MM192690;C=CCOC(CO)=NN;ADNBEXNXNUXWFQ-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192691;MM192691;CC#Cc1cc(F)c[nH]1;NHDNCEXTWNOTKG-UHFFFAOYSA-N;123.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192692;MM192692;CC#Cc1cc(F)n[nH]1;QDYZOZIXKRCTHS-UHFFFAOYSA-N;124.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192693;MM192693;CC#Cc1cc(C)co1;CTOJMQMMZDFQST-UHFFFAOYSA-N;120.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192694;MM192694;CC#Cc1cc(N)co1;HXBHQEMEEBPRDJ-UHFFFAOYSA-N;121.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192695;MM192695;CC#Cc1cc(F)co1;INSTWOJKPWFFTK-UHFFFAOYSA-N;124.11;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192696;MM192696;CC#Cc1cc(C)no1;IWJGDMRLMGOXHG-UHFFFAOYSA-N;121.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192697;MM192697;CC#Cc1cc(F)no1;QRULAQUHRYORKO-UHFFFAOYSA-N;125.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192698;MM192698;CC#Cc1nc(O)c[nH]1;GANJPNVHVHMVLX-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192699;MM192699;CC#Cc1nc(C)co1;SEMYCUJLHKYRNH-UHFFFAOYSA-N;121.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192700;MM192700;C=Cc1cc(OC)n[nH]1;KIPNTWRERVBPHT-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192701;MM192701;CC#Cc1nc(F)co1;MLJZBUCSYPNXQC-UHFFFAOYSA-N;125.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192702;MM192702;CC#Cc1nc(C)no1;MKWKNXOHMWNKLT-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192703;MM192703;CC#Cc1nc(N)no1;IBIIQHYGZFXGBQ-UHFFFAOYSA-N;123.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192704;MM192704;O=C1C=C(CF)CO1;FRTULIFOIVLWAE-UHFFFAOYSA-N;116.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192705;MM192705;CC(C)C(C)C1CC1C;VSXPXYFJOROUKC-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192706;MM192706;CC(N)C(C)C1CC1C;KZLBHOGJPGEMOW-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192707;MM192707;NN=C(CO)OC1CC1;CKESJXMLGNXYAN-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192708;MM192708;CC(F)C(C)C1CC1C;NNERVPNGPAGEQL-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192709;MM192709;CC(C)C(N)C1CC1C;OPCYXIFAPLWXNF-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192710;MM192710;CC(N)C(O)C1CC1C;XQKGVOXFSMOQSC-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192711;MM192711;CC(C)C(C)C1CC1N;NITMVYGFRNXVNA-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192712;MM192712;CC(C)C(N)C1CC1N;NXFFUBVRPAAMCQ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192713;MM192713;COC(CO)=NN1CC1;DSMUNMLGGMYFJY-UHFFFAOYSA-N;130.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192714;MM192714;CC(N)C(C)C1CC1O;QRYLPIASTWYWAP-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192715;MM192715;CC(O)C(C)C1CC1O;HTSKYZOWJCAALE-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192716;MM192716;CC(C)C(N)C1CC1O;HBYAJCITQCLJTL-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192717;MM192717;CC(N)C(C)C1CC1F;NYSFNZMRBBIPBJ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192718;MM192718;CC(F)C(N)C1CC1F;JGKXZPXIEPDSNR-UHFFFAOYSA-N;135.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192719;MM192719;CC1CC1C(C)N(C)C;MERHQVROAJYCTF-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192720;MM192720;CC(C1CC1N)N(C)C;DCWVWCCOXLIUTQ-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192721;MM192721;CC(C1CC1F)N(C)C;XHVDSIIZJMBHTF-UHFFFAOYSA-N;131.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192722;MM192722;CC1CC1N(C)C(C)C;JLLRPNATRDLSOS-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192723;MM192723;CC(C)N(C)C1CC1N;SHHOLVBSUVWEFR-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192724;MM192724;CC(C)N(C)C1CC1O;RQPMIPBVZDLKPF-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192725;MM192725;CC(N)C(C)C1NC1C;ZUJAYUFCUVZINQ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192726;MM192726;CC(C)C(N)C1NC1C;YUTXONWREPYCNL-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192727;MM192727;CC(F)C(N)C1NC1C;YMHCZCHXACMQRJ-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192728;MM192728;CC1NC1C(C)N(C)C;AHLOUCOKUMZUQF-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192729;MM192729;CC(C)C(C)C1OC1C;LXJZVABHKFCZJW-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192730;MM192730;CC(N)C(C)C1OC1C;QHFDMMKJFWWZFD-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192731;MM192731;CC(F)C(C)C1OC1C;XXLVSKHZGYYJIU-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192732;MM192732;CC(C)C(N)C1OC1C;NEVTVOWYIPPXRQ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192733;MM192733;CC(N)C(C)C1CN1C;WLKSZGNSCFMWRI-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192734;MM192734;CC(C)C(N)C1CN1C;JUDHPSYWSVBALL-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192735;MM192735;CC(C1CN1C)N(C)C;YHOXICMRHLCRBQ-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192736;MM192736;C=C(C)C(C)C1CC1C;VWFNYFIQSOXJPV-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192737;MM192737;CC(=O)C(C)C1CC1C;HXYREKKICIATIX-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192738;MM192738;CC1CC1C(C)C(=N)N;IYQKMNIEOSNITK-UHFFFAOYSA-N;126.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192739;MM192739;O=C(C#CCO)C1CN1;QDWTXKOALBVKBR-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192740;MM192740;CC1CC1C(C)C(=O)O;MCRODNZLJHGVED-UHFFFAOYSA-N;128.17;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192741;MM192741;C=C(F)C(C)C1CC1C;KEXIVUKJAIQFPT-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192742;MM192742;C=C(C)C(N)C1CC1C;DAEYPPHLZDAXBI-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192743;MM192743;CC1CC1C(N)C(=N)N;YSOVGPFEIWFNRQ-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192744;MM192744;CC1CC1C(N)C(N)=O;LNQVOEUPBLKJBC-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192745;MM192745;C=C(F)C(N)C1CC1C;AZMDAMPGUMGJKN-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192746;MM192746;CC(C(O)CO)N1CC1;UQFZWEININKWJO-UHFFFAOYSA-N;131.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192747;MM192747;CC(=O)C(O)C1CC1C;FNTOJBNKIYYXCY-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192748;MM192748;CC1CC1C(O)C(N)=O;PMEJJMZENLTBDI-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192749;MM192749;CC1CC1C(F)C(=O)O;ODNMESPBRPOTNL-UHFFFAOYSA-N;132.13;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192750;MM192750;C=C(F)C(C)C1CC1N;OYSSEQXPPPFBGW-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192751;MM192751;N=C(N)C(N)C1CC1N;VZCOUSICXIAYMH-UHFFFAOYSA-N;128.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192752;MM192752;C=C(F)C(N)C1CC1N;CXYUVYGZEDZGEZ-UHFFFAOYSA-N;130.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192753;MM192753;NC(=O)C(O)C1CC1N;KIUOMABLYHFHPX-UHFFFAOYSA-N;130.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192754;MM192754;C=C(F)C(O)C1CC1N;HQSHGBOQFSDYNU-UHFFFAOYSA-N;131.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192755;MM192755;CC(C)(C)OC(CO)=NN;KPWCSIRISZJOJU-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192756;MM192756;CC(=O)C(C)C1CC1O;OHUNUVHLPGOPKO-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192757;MM192757;CC(C(=N)N)C1CC1O;RARUERSQUWQDHW-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192758;MM192758;N=c1ncn(O)c(=O)n1O;JELCMUZMIZAMMO-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192759;MM192759;C=C(F)C(C)C1CC1O;FNSRPXSIECXGJN-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192760;MM192760;N=C(N)C(N)C1CC1O;ZMSRHGWKIPUOJG-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192761;MM192761;NC(=O)C(O)C1CC1O;VPGXRXBUDOBXDL-UHFFFAOYSA-N;131.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192762;MM192762;C=C(C)C(C)C1CC1F;MKHJSCSGNWHLMG-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192763;MM192763;CC(=O)C(C)C1CC1F;HCESKQDMPJTQBR-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192764;MM192764;CC(C(=N)N)C1CC1F;YLVOCVZCDQFMTJ-UHFFFAOYSA-N;130.17;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192765;MM192765;CC(C(N)=O)C1CC1F;MVRLSWWFCRGNEM-UHFFFAOYSA-N;131.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192766;MM192766;N=C(N)C(N)C1CC1F;VFQFIIXHQMTBLM-UHFFFAOYSA-N;131.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192767;MM192767;CC(=N)N(C)C1CC1C;HJMHZECVSYOWAS-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192768;MM192768;CC(=O)N(C)C1CC1C;QJNAELQYFKVHOB-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192769;MM192769;CC1CC1N(C)C(=N)N;RIAYJPMLZJZZPB-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192770;MM192770;CC(=N)N(N)C1CC1C;LNBGSTJTWNWSDN-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192771;MM192771;CC(=O)N(N)C1CC1C;JJDCUNFXAUGRRS-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192772;MM192772;CC(=N)N(C)C1CC1N;QXQCRGASRQVKNM-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192773;MM192773;CC(=O)N(C)C1CC1N;JPGAUNBSNROJJH-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192774;MM192774;CN(C(=N)N)C1CC1N;RTPLXGHFIWKCIJ-UHFFFAOYSA-N;128.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192775;MM192775;CC(=N)N(O)C1CC1N;FHHFCMFDPVRWBO-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192776;MM192776;CC(=O)N(C)C1CC1O;NYAHBFVUFRJWME-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192777;MM192777;CN(C(=N)N)C1CC1O;KCHXZNMJGTXAGV-UHFFFAOYSA-N;129.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192778;MM192778;CC(=N)N(C)C1CC1F;SLGCWNXFTAZPSB-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192779;MM192779;CC(=O)N(C)C1CC1F;HNRJBEMUWRRVGE-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192780;MM192780;CN(C(=N)N)C1CC1F;CVDWUAIHEKAXQY-UHFFFAOYSA-N;131.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192781;MM192781;CC(=O)N(N)C1CC1F;ZXKVRMIBWOTQKB-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192782;MM192782;CC1NC1C(C)C(=N)N;QVYWRUYRGPPJGP-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192783;MM192783;C=C(C)C(N)C1NC1C;AHHMACILCJOUIZ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192784;MM192784;CC1NC1C(N)C(=N)N;UBTZQAHLPQBWGO-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192785;MM192785;CC1NC1C(O)C(=N)N;BZSFJDXXJDAQCO-UHFFFAOYSA-N;129.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192786;MM192786;CN(C)N=CC(O)C=CF;HMQCQHCXRZPMIK-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192787;MM192787;C=C(C)C(C)C1OC1C;YSKXSJGVLJQOLD-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192788;MM192788;CC(=O)C(C)C1OC1C;LXORRMXBIDXWRP-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192789;MM192789;O=c1c(O)c(O)n(O)n1O;XJXHYKRGTAVKCZ-UHFFFAOYSA-N;148.07;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192790;MM192790;CC1OC1C(N)C(=N)N;UZHCUVUGLQEERV-UHFFFAOYSA-N;129.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192791;MM192791;CC1OC1C(O)C(=N)N;ZZZILWJMVZECES-UHFFFAOYSA-N;130.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192792;MM192792;C=C(C)C(N)C1CN1C;WOAGPQIQQMRKAL-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192793;MM192793;CN1CC1C(N)C(=N)N;PFAPKXHFKFQTAW-UHFFFAOYSA-N;128.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192794;MM192794;CN1CC1C(O)C(=N)N;DTCMVUMGCOKUON-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192795;MM192795;CC(O)C(=N)N=CN(C)O;MEDNRFVKGJMDPV-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192796;MM192796;CCOC(CO)=NN(C)C;RXANPFHFGJOWPX-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192797;MM192797;CC1CN1C(C)C(=N)N;QRYURKDTEQTDMF-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192798;MM192798;CCNN=CC(O)C=CF;OHIDDGSSUDGGGH-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192799;MM192799;C=C(F)C(C)N1CC1C;HWDJTVUHFMWQER-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192800;MM192800;CC(=N)N(C)N1CC1C;DZCGNDMNOXMELD-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192801;MM192801;CC(=O)N(C)N1CC1C;SOSSSLLXQXBNIM-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192802;MM192802;C=C(C(C)C)C1CC1C;MDVMOSRJBSGIRV-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192803;MM192803;C=C(C(C)N)C1CC1C;CAJXJBOYMGDTTG-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192804;MM192804;C=CNC(=O)C(N)=NCC;JKFFEYSIQSZBAO-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192805;MM192805;C=C(C(C)F)C1CC1C;ZRUKHCPJCCLGPA-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192806;MM192806;C=C(C(C)C)C1CC1N;VATWBKBGORPDDX-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192807;MM192807;C=C(C(C)N)C1CC1N;ILJZIGCUEDFZKV-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192808;MM192808;C=CNC(=O)N(N)C=NC;XAVOWKHKTXEBCH-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192809;MM192809;C=C(C(C)N)C1CC1O;UDLNRHGYQVSNMQ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192810;MM192810;C=C(C(C)C)C1CC1F;XPGPOGFEUWWGLM-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192811;MM192811;C=C(C(C)N)C1CC1F;WQZIQBNSUTVWLT-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192812;MM192812;C=C(C(C)O)C1CC1F;FYXWNQWGHAKPMV-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192813;MM192813;CC(C)C(=O)C1CC1F;KZJZSLHSILJOQC-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192814;MM192814;CC1CC1C(=N)N(C)C;LVFCLHIBOFQZRL-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192815;MM192815;CC1CC1C(=N)N(C)N;XTGISYBGTNHTSG-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192816;MM192816;CC1CC1C(=N)N(C)O;ONRDLQYAWVOLMM-UHFFFAOYSA-N;128.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192817;MM192817;CC1CC1C(=O)N(C)C;VTTRSBWJORAWGQ-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192818;MM192818;CC1CC1C(=O)N(C)N;CQWFMIBNJNPJLM-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192819;MM192819;CC1CC1C(=O)N(C)O;ZXPRMDRXPLSDDZ-UHFFFAOYSA-N;129.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192820;MM192820;CN(C)C(=O)C1CC1N;RKVKDMACWCKKOC-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192821;MM192821;CN(C)C(=O)C1CC1O;VRFWZAQLZBCHPN-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192822;MM192822;CN(O)C(=O)C1CC1O;AZRZTVJMZKNLCF-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192823;MM192823;CN(C)C(=N)C1CC1F;LAEWAIJNCWYOLT-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192824;MM192824;CN(O)C(=O)C1CC1F;FHWPUSQJENZKPD-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192825;MM192825;C=C(C(C)N)C1NC1C;FBLYMELEUJGZGI-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192826;MM192826;CC1NC1C(=N)N(C)C;BYRFXEMJUCFRTE-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192827;MM192827;CC1NC1C(=N)N(C)N;ABBGLHAZULMSDT-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192828;MM192828;C=CNC(=O)N(N)C(C)=N;RJMTZWJWBHWONA-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192829;MM192829;CN1CC1CC1(O)CC1O;VKIHMXGOQOIPDX-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192830;MM192830;C=C(C(C)C)C1OC1C;NFFSLSXPPAYHAM-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192831;MM192831;C=C(C(C)N)C1OC1C;AEUARBQRNXEGTR-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192832;MM192832;C=C(C(C)O)C1OC1C;WJGGZRWMUXIOOJ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192833;MM192833;CC1OC1C(=N)N(C)C;XIYZCNSJJOTFSK-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192834;MM192834;CC1OC1C(=N)N(C)N;IGNYKAZNQIQHBW-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192835;MM192835;C=C(C(C)C)C1CN1C;PSRAXZYSJPBSPG-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192836;MM192836;C=C(C(C)N)C1CN1C;BVAJBVDEFLEXRP-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192837;MM192837;CN(C)C(=O)C1CN1C;XLALDCVJCXGVAZ-UHFFFAOYSA-N;128.18;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192838;MM192838;NC(C=O)=NCC(O)CO;HSORGCRMMYILIY-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192839;MM192839;CC(C)C(=N)N1CC1C;CIZOHRADJJTUFY-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192840;MM192840;CC(N)C(=N)N1CC1C;RXONETLCBLXWTG-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192841;MM192841;CC(O)C(=N)N1CC1C;IHHVLWBOKNXDNF-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192842;MM192842;CC(C)C(=O)N1CC1C;FXKCALOBAMXVQQ-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192843;MM192843;CC(O)C(=O)N1CC1C;MCSKKAHYEIZOGR-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192844;MM192844;CC1CN1C(=N)N(C)C;LXANCEZQZFIDKK-UHFFFAOYSA-N;127.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192845;MM192845;CC1CN1C(=N)N(C)N;KTWFRIHFWBXWDO-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192846;MM192846;CC1CN1C(=N)N(C)O;XJGXSVGOQAIYMX-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192847;MM192847;CC1CN1C(=O)N(C)C;VGGNVBNNVSIGKG-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192848;MM192848;CC1CN1C(=O)N(C)N;VCPORSIQRCUIAR-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192849;MM192849;CC1CN1C(=O)N(C)O;XMZQMFHHICLBAQ-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192850;MM192850;C=C(C)C(=C)C1CC1C;ZAZZDPDWPXMADI-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192851;MM192851;C=C(C(C)=O)C1CC1C;UIPKINRFTTXKDQ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192852;MM192852;C=C(C(=N)N)C1CC1C;YPRRJOBYVDJAJE-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192853;MM192853;CC1(CO)NC1C(=O)CO;IMCUPLXBQRLICO-UHFFFAOYSA-N;145.16;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192854;MM192854;C=C(C(=O)O)C1CC1C;PVHQIYLYNFWLDF-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192855;MM192855;C=C(C)C(=O)C1CC1C;VSYZZQUOIJSORR-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192856;MM192856;CC(=O)C(=O)C1CC1C;VKHWXGQOSJHXHL-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192857;MM192857;CC1CC1C(=O)C(=N)N;BRIIGISPUHBESF-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192858;MM192858;CC1CC1C(=O)C(N)=O;OQAFDUZWXNWFBG-UHFFFAOYSA-N;127.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192859;MM192859;C=C(C)C(=C)C1CC1N;GNIVEAFSSHXFQF-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192860;MM192860;C=C(C(=N)N)C1CC1N;PPXAIDGRHDITPH-UHFFFAOYSA-N;125.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192861;MM192861;CCC(C)OC(CO)=NN;OGQGZCLWWFJCMK-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192862;MM192862;C=C(C)C(=O)C1CC1O;QVJXZGYDNALPOP-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192863;MM192863;C=C(C)C(=C)C1CC1F;DCUPYUKPIABUHR-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192864;MM192864;C=C(C)C(=O)C1CC1F;YWMPTRWKSKCUQG-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192865;MM192865;CC(=O)C(=O)C1CC1F;ZACXJOPJRMPHDH-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192866;MM192866;CC(CF)OC(CO)=NN;QBWCPJHMICEUOE-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192867;MM192867;C=CC(C)OC(CO)=NN;DUKZHBQLVUNKSY-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192868;MM192868;C=C(C(=N)N)C1NC1C;LKHOBLZMPKHPRG-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192869;MM192869;CC(F)COC(CO)=NN;PVSNZDZTXZCQIR-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192870;MM192870;C=C(C)COC(CO)=NN;HKOIIBWMIKVSHE-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192871;MM192871;NNC(=NOC(N)=O)NN;WGYJATSRVQGQFE-UHFFFAOYSA-N;148.13;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192872;MM192872;C=C(C)C(=C)C1OC1C;CHAQMIISBKPZJM-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192873;MM192873;C=C(C(=N)N)C1OC1C;DVUNWPUSRLNBJK-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192874;MM192874;C=C(C)C(=C)C1CN1C;UCEWSUDVFLQSMR-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192875;MM192875;CCC(=N)N(O)C(=N)C=O;ZWTWBQVBKOUJIV-UHFFFAOYSA-N;143.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192876;MM192876;CN1CC1C(=O)C(=N)N;ZCFXJAQIJGKSMT-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192877;MM192877;C=C(C)C(=N)N1CC1C;ZGKKIARIKGLOET-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192878;MM192878;C=CC(=C)N(O)C(=N)OC;CZYCULNZZVZEKJ-UHFFFAOYSA-N;142.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192879;MM192879;CC1CN1C(=N)C(=N)N;DZQFVDSQIOMJBO-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192880;MM192880;C=NOCC(F)C(=O)CO;UHUYQWJPCSBOQF-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192881;MM192881;CN=C(C#N)NC(C)=O;RKTZJVHCBWAOSE-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192882;MM192882;C=C(C)C(=O)N1CC1C;LJSTUHBWAAEJJJ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192883;MM192883;CC(=O)C(=O)N1CC1C;GIFHDDABXNIOAK-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192884;MM192884;CC1CN1C(=O)C(N)=O;PVKCRFPVQLVVBF-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192885;MM192885;CCn1oc(=N)[nH]c1=O;OFJCGYAKJGCEPF-UHFFFAOYSA-N;129.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192886;MM192886;C=C(F)C(=O)N1CC1C;NNWOQALJMWOPNT-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192887;MM192887;CC(C)=C(C)C1CC1C;HGOIMKPBERWADD-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192888;MM192888;CC(F)=C(C)C1CC1C;LBBJGIBCGQGPDS-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192889;MM192889;CC(=C(F)F)C1CC1C;NCFLTVBNICBDJR-UHFFFAOYSA-N;132.15;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192890;MM192890;CC(C)=C(F)C1CC1C;AVMDFQDWOZETIH-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192891;MM192891;CC(F)=C(F)C1CC1C;BTDJIKNYMBXIPK-UHFFFAOYSA-N;132.15;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192892;MM192892;CC(C)=C(C)C1CC1N;ZUHODEOSYFWVIM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192893;MM192893;CC(F)=C(C)C1CC1N;HHMOLICNOYDYDC-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192894;MM192894;CC(=C(F)F)C1CC1N;WGQXCOUBXCUYMJ-UHFFFAOYSA-N;133.14;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192895;MM192895;CC(F)=C(F)C1CC1N;AXYHHHLYYJHCEI-UHFFFAOYSA-N;133.14;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192896;MM192896;C=CN(N)C(=O)NC=CC;MZSDCWHJRISEMR-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192897;MM192897;CC(F)=C(C)C1CC1O;JUSNZDBOXDWLMH-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192898;MM192898;CC(=C(F)F)C1CC1O;QUYKLUWSAMXRIT-UHFFFAOYSA-N;134.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192899;MM192899;OC1CC1C(F)=C(F)F;SSNKABVZIWHBDA-UHFFFAOYSA-N;138.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192900;MM192900;CC(F)=C(C)C1CC1F;VUELWSQLEDUAKM-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192901;MM192901;CC(=C(F)F)C1CC1F;NYQNGFGETSNEKF-UHFFFAOYSA-N;136.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192902;MM192902;CC(C)=C(F)C1CC1F;KQWFTCYZCHFLEO-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192903;MM192903;CC(=C(F)F)C1NC1C;LERMMMKVMKTWJL-UHFFFAOYSA-N;133.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192904;MM192904;CC(C)=C(F)C1NC1C;GGQKANXCICZPHD-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192905;MM192905;CC(F)=C(F)C1NC1C;YPGJMJHCAJCOSZ-UHFFFAOYSA-N;133.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192906;MM192906;CC(C)=C(C)C1OC1C;NBJGFMPMUQVELN-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192907;MM192907;CC(F)=C(C)C1OC1C;WNFLJLNMYBRPKW-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192908;MM192908;CC(=C(F)F)C1OC1C;DRVMOQZOSBBOMZ-UHFFFAOYSA-N;134.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192909;MM192909;CC(C)=C(C)C1CN1C;OFMJPKLLNXXJTN-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192910;MM192910;CC(F)=C(C)C1CN1C;KXJOGLFAPLTFJD-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192911;MM192911;CC(=C(F)F)C1CN1C;WSWHROFGXTZSNF-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192912;MM192912;CC(F)=C(F)C1CN1C;NIIAFEHMZXCBNI-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192913;MM192913;CNC(=O)ON=CCC=O;QZDFACSONXMHFT-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192914;MM192914;CC(N)C1CC(O)C1C;FDIPEGMPXOYMNL-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192915;MM192915;CC(O)C1CC(O)C1C;WKUHFVAZPYYOER-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192916;MM192916;CC(C)C1CC(N)C1N;NSBBCRHULKSLNJ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192917;MM192917;CC(C)C1CC(O)C1N;FHVSIINBXGJZNN-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192918;MM192918;CC(C)C1CC(N)C1O;WINYXZMIKILQSD-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192919;MM192919;CC(C)C1CC(O)C1F;CUSUVFKPDYXGKU-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192920;MM192920;CN(C)C1CC(N)C1O;LRAJAUKWCXGXRV-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192921;MM192921;CC(C)C1CC(C)N1C;MVFCMYLWTMMGIS-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192922;MM192922;CC(N)C1CC(C)N1C;TYTGPVXVZKIHSS-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192923;MM192923;C=C(F)C1CC(F)C1O;FZNQESMUWFDAFH-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192924;MM192924;C=C(C)C1CC(F)C1F;HSOUIXJCDWGUEB-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192925;MM192925;C=C(C)C1CC(C)N1C;MMAFFGCFXKTBQU-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192926;MM192926;CC1CC(C(=N)N)N1C;FYROMVMAVPVQAL-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192927;MM192927;CC(=N)N1CC(N)C1C;FTSZTXRXURBNTI-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192928;MM192928;CC1CC(C(C)C)C1=O;SUETZOAEHFGMJZ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192929;MM192929;CC1CC(C(C)O)C1=O;DTLFRWIXCFPZCS-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192930;MM192930;CC1CC(C(C)F)C1=O;XVURTUJYBIZASP-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192931;MM192931;CC(C)C1CC(O)C1=O;YSEVLWHNVBCIPG-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192932;MM192932;CC(O)C1CC(O)C1=O;WYDMLFKARMWBHA-UHFFFAOYSA-N;130.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192933;MM192933;C=C(C)C1CC(C)C1=O;JIMMHOWPFYMTEK-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192934;MM192934;CC1CC(C(=N)N)C1=O;RUIIEUAIBDVRKA-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192935;MM192935;C=C(C)C1CC(O)C1=O;AHXSISPOWBKVFC-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192936;MM192936;CC(N)C1CC1C(C)N;IVHSSPJALRCNHJ-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192937;MM192937;CC(N)C1CC1C(C)O;LLCDTBBSMSSASA-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192938;MM192938;CC(C)C1CC1N(C)C;CYDMEIJPMXNNGK-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192939;MM192939;CC(N)C1CC1N(C)C;NYZZWZGJECVVGD-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192940;MM192940;CN(C)C1CC1N(C)C;ROLQAOLPJZYDNT-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192941;MM192941;CC(C)C1NC1C(C)N;LBHDUGODZONMDN-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192942;MM192942;C=C(C)C1CC1C(C)C;AUJDKXUPBOPFDJ-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192943;MM192943;CC(C)C1CC1C(=O)O;HBYCKISMJZSUDJ-UHFFFAOYSA-N;128.17;1.36;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192944;MM192944;C=C(C)C1CC1C(C)N;CZAFLQZSLFXIKS-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192945;MM192945;CC(N)C1CC1C(=N)N;UPHXCKDYFDYKPH-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192946;MM192946;CC(O)C1CC1C(=N)N;GUDYLYQDFZVSSQ-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192947;MM192947;C=C(C)C1CC1N(C)C;CNNLTSPRWTXKJC-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192948;MM192948;C=NOC(CO)OCOC;PDXISWQDGNBVCV-UHFFFAOYSA-N;149.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192949;MM192949;CC(C)C1NC1C(=N)N;IQVKTMONULHOFF-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192950;MM192950;C=C(C)C1NC1C(C)F;DFFARDFARFXUPJ-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192951;MM192951;CC(=N)N1CC1C(C)C;BBCKRXCCIRKFFJ-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192952;MM192952;CC(=O)N1CC1C(C)C;MSSAVBCLDXDRBF-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192953;MM192953;CC(C)C1CN1C(=N)N;QZEFSEUVBYNVPN-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192954;MM192954;CC(C)C1CN1C(N)=O;MCEZENYLHJZZOI-UHFFFAOYSA-N;128.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192955;MM192955;CC(=N)N1CC1C(C)N;DZWVJIAQPVMQRI-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192956;MM192956;CC(=O)N1CC1C(C)N;CYFFOYCUEHHLLW-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192957;MM192957;CC(N)C1CN1C(=N)N;AWRTVGSYXVJFDO-UHFFFAOYSA-N;128.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192958;MM192958;CC(=N)N1CC1C(C)O;DTVZPGRYWUAFSK-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192959;MM192959;CC(=O)N1CC1C(C)O;WWUIQPIOIQOSQS-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192960;MM192960;CC(=N)N1CC1C(C)F;AWRWBSBJOLXQQN-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192961;MM192961;CC(F)C1CN1C(=N)N;VPEQXLBWEUHXGT-UHFFFAOYSA-N;131.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192962;MM192962;CC(F)C1CN1C(N)=O;YQDGNMUCFULTFQ-UHFFFAOYSA-N;132.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192963;MM192963;C=C(C)C1CC1C(=C)C;AOQDKUGFRRKVKU-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192964;MM192964;C=C(C)C1CC1C(=N)N;NKCINUVUFVOLBR-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192965;MM192965;C=C(C)C1CC1C(=C)F;WDXADDIYVYQFEB-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192966;MM192966;C=C(C)C1NC1C(=C)C;TYNLLLJXTQQOIN-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192967;MM192967;C=NOC(CO)OCC#N;NKLMPDHIXXTUST-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192968;MM192968;C=C(C)C1NC1C(=C)F;PCIDDRSMWPFYEI-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192969;MM192969;C=C(C)C1CN1C(C)=N;BSLVFNQNMIDAEC-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192970;MM192970;C=C(C)C1CN1C(C)=O;DSOOLBMTAWXLIE-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192971;MM192971;C=C(C)C1CN1C(=N)N;LVEJMDCAMTXXTG-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192972;MM192972;C=C(C)C1CN1C(N)=O;AJCTZKYNCCLEJR-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192973;MM192973;CC(=N)N1CC1C(C)=O;JVWOVZDUKVQGGE-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192974;MM192974;CC(=O)C1CN1C(C)=O;LOWDVGJNFKAFSY-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192975;MM192975;CC(=O)C1CN1C(=N)N;RPXWLLCMVRJZSL-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192976;MM192976;CC(=N)N1CC1C(=N)N;HXOTUGGEVIRNRO-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192977;MM192977;CC(=O)N1CC1C(=N)N;PLIMNYDJRXPHDM-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192978;MM192978;N=C(N)C1CN1C(=N)N;QLMRSYIYRSNHCG-UHFFFAOYSA-N;127.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192979;MM192979;CC(=N)N1CC1C(N)=O;LSKOOWCTHYLMOA-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192980;MM192980;CC(=O)N1CC1C(N)=O;RUFKVTVEFKPZBW-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192981;MM192981;N=C(N)N1CC1C(N)=O;ULRGXFBVUXHKIC-UHFFFAOYSA-N;128.14;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192982;MM192982;CN=CN=C(C#N)NC=O;HTAMCEKNLNBKMO-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192983;MM192983;C=C(F)C1CN1C(C)=N;WUZRQQIEWNVVQU-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192984;MM192984;C=C(F)C1CN1C(C)=O;BUNYAZNXRSIELM-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192985;MM192985;C=C(F)C1CN1C(=N)N;NDFSZLFULGXQOA-UHFFFAOYSA-N;129.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192986;MM192986;CC(F)CNC1CC1C;BJHKPCQTKZWDHE-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192987;MM192987;CC1CC1CCN(C)C;UWPXNNJZXHAAAP-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192988;MM192988;CC1NC1CCN(C)C;CXFLAKOMIFOKAR-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192989;MM192989;CC1CN1CCN(C)C;AEWKKFPHZTXBPZ-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192990;MM192990;C=C(C)CCC1CC1C;HYGNDQHNRYFMSM-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192991;MM192991;CC1CC1CCC(=O)O;YJGQHNPVLUMHHP-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192992;MM192992;C=C(C)CCC1CC1N;COCMKNKAMFQWJE-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192993;MM192993;CC#Cc1nc(O)n(O)n1;GMPLXTJDNGOBPR-UHFFFAOYSA-N;139.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192994;MM192994;CNN=C(CO)OCCF;QGHXSMCKNICYMZ-UHFFFAOYSA-N;150.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192995;MM192995;CC(=N)NCC1CC1C;QLSFSHHDAZXGCR-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192996;MM192996;C=CCOC(CO)=NNC;MMYJILAQHPFBBR-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192997;MM192997;CC1CC1CNC(=N)N;LVLMOCRRNWZOJV-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192998;MM192998;N=C(N)CNC1CC1N;IFBICXGKBOBNQZ-UHFFFAOYSA-N;128.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM192999;MM192999;C=C(F)CNC1CC1N;VEMMQGABSYKMPE-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193000;MM193000;NN=CC=C(CO)NC=O;WCTUDAXNIBOPNM-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193001;MM193001;CC(=O)NNC1CC1N;CIFLGVAQKTVUGU-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193002;MM193002;C=C(C)CCC1OC1C;NWYOQWHUJAUYQX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193003;MM193003;Cc1ncc(F)c(=N)n1O;OIZSFTPLIVTYKZ-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193004;MM193004;CN1CC1CCC(=N)N;OGKCATYKLVCTSN-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193005;MM193005;C#CC1NC(=N)C(=C)C1=O;JNDLLMBWIDEYRK-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193006;MM193006;C=C(F)CCC1CN1C;UFOBLBUVHVVXPX-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193007;MM193007;CC(=O)OCC1CN1C;IPCTWRPLNZXYLQ-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193008;MM193008;CC(N)C=CC1CC1C;QMTASYDERCCJKP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193009;MM193009;C=CC=NOC(CO)OC;MKEDVHKXPIBWCC-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193010;MM193010;CC(N)C=CC1CC1N;MJBKFDCDIQVMBH-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193011;MM193011;CC(O)C=CC1CC1N;DGSLPNWYRSNNPB-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193012;MM193012;CC(C)C=CC1CC1F;YHFMXSPICVNYHM-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193013;MM193013;N#CC(CO)ON=CCO;GMVVOODQVSUGAL-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193014;MM193014;CC(N)C=CC1NC1C;CRHPQYOKEHCXIM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193015;MM193015;CC(C)C=CC1OC1C;XCGCWSWBNPKQTK-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193016;MM193016;NN=C(CO)OCCCO;NVGLHFAKHDCYRV-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193017;MM193017;CC(C)N=CN1CC1C;ZJDGVJMDKPWOOT-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193018;MM193018;CC(C)C=NN1CC1C;WLDKTBGEYSXPCM-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193019;MM193019;COCCOC(CO)=NN;SHINFZSRDAWIEA-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193020;MM193020;CC1CN1N=CN(C)C;JKULCEQJIYSNLH-UHFFFAOYSA-N;127.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193021;MM193021;C#CCCOC(CO)=NN;FYMONQVOZSPVOG-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193022;MM193022;C=C(C)C=CC1CC1C;JCYFFKMLKYCYFK-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193023;MM193023;CC1CC1C=CC(=N)N;NDWYSUZSEOQLSY-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193024;MM193024;C=C(F)C=CC1CC1C;ZZVAFNFSKANFSV-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193025;MM193025;C=C(C)C=CC1CC1N;WLWJATMMOIHOET-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193026;MM193026;C=C(C)C=CC1CC1F;JJXZYXCYYNRRFT-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193027;MM193027;C=C(F)C=CC1CC1F;ADRAIHHNPNLYKI-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193028;MM193028;CC(=O)C=CN1CC1C;GJMJJEMHMFQDJM-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193029;MM193029;CC1CN1C=CC(=N)N;WHMUVHONHKYOFW-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193030;MM193030;NN=CCOC(CO)=NN;UIWOHQZIAHVSEE-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193031;MM193031;O=COCC(C=O)=NO;QMECOSQWJIWDIW-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193032;MM193032;CN=C(CO)N(O)C=NN;GGQVCKSIMIGNRD-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193033;MM193033;CC1CN1C=NC(=N)N;YLRQYUGYDKHCSH-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193034;MM193034;C=CC1=NOC(CO)OC1;XHEUTJAEWUBONB-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193035;MM193035;C=C(C)C=NN1CC1C;JISCGKHEQZOKIY-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193036;MM193036;O=CC(F)C1CN1;MKRXGMWNGMSGPA-UHFFFAOYSA-N;103.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193037;MM193037;CC1CN1N=CC(=N)N;QNPXHSDBYXEEQZ-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193038;MM193038;N=C1NOC(CO)O1;OAHXQFMYRROPOD-UHFFFAOYSA-N;118.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193039;MM193039;CC(O)C#CC1CC1C;MOBGLJSASCFHPY-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193040;MM193040;CC1CC1C#CC(F)F;DFGIDIORRGJIOE-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193041;MM193041;CC(O)C#CC1CC1N;PGFGEXGFXCQFAE-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193042;MM193042;NC1CC1C#CC(F)F;KRFASXKNFYHKGE-UHFFFAOYSA-N;131.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193043;MM193043;CC(F)C#CC1CC1O;LIOADNDTCMDTJV-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193044;MM193044;OC1CC1C#CC(F)F;WVFMSOYAWTURPJ-UHFFFAOYSA-N;132.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193045;MM193045;FC(F)C#CC1CC1F;QOTQNFNHTOYFPX-UHFFFAOYSA-N;134.1;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193046;MM193046;CC1(C)CN(N)C(=O)N1;JBFSHCCFFJFYHO-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193047;MM193047;CC(=N)N(O)C(=N)C=O;NKWJQNHVVSNCLX-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193048;MM193048;C=C(C)C#CC1CC1C;RWTXPBNUCSTPEK-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193049;MM193049;CC(=O)C#CC1CC1C;YTRPMNIXDFXUNH-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193050;MM193050;CC1CC1C#CC(N)=O;ZAXMVZDLNSLIHP-UHFFFAOYSA-N;123.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193051;MM193051;N=C(N)C#CC1CC1N;VSIXPKXAXMEUMB-UHFFFAOYSA-N;123.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193052;MM193052;NC(=O)C#CC1CC1N;ZPVSCOJVZXXXNY-UHFFFAOYSA-N;124.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193053;MM193053;CC(=O)C#CC1CC1O;OKWLFRHNQIAXDG-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193054;MM193054;CC(=O)C#CC1CC1F;IRQUVAOADMUVES-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193055;MM193055;C=C(C)C#CC1NC1C;ZQYCNLGNULXLSS-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193056;MM193056;N=CN=C(N)C(=O)CO;NZVSTCKYABSOMV-UHFFFAOYSA-N;129.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193057;MM193057;CC1NC1C#CC(=N)N;YXLPDYGDZLJMEH-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193058;MM193058;C=CNC(=O)C(N)=NC;MKMXAILKBDYSMN-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193059;MM193059;C=C(F)C#CC1NC1C;MZJMRHIUKIWKKA-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193060;MM193060;CC(=O)C#CC1OC1C;NPUWHAFXSFWSRH-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193061;MM193061;CC1OC1C#CC(N)=O;FMLHPTUPJIPLHN-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193062;MM193062;N=C1C=C(F)C(=N)N1O;PIVQBOQBCURNGE-UHFFFAOYSA-N;129.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193063;MM193063;CC(C)=CCC1CC1C;HGNGNFBTRWHETL-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193064;MM193064;CC(F)=CCC1CC1C;HUTGHXKMLKHGSB-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193065;MM193065;CC(C)=CCC1CC1N;VIXCMWZSPQUVBV-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193066;MM193066;CC1=NN(C)C(=O)C1C;CACWZFVIOGIBFP-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193067;MM193067;N=c1oc(CO)cn1O;LFNGMTVSLQEOPZ-UHFFFAOYSA-N;130.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193068;MM193068;CC(C)N1C=NC(=O)C1;WBWUFXAYMVWWDJ-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193069;MM193069;CC(C)n1ncc(=O)o1;PRCYCUKLFFQATO-UHFFFAOYSA-N;128.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193070;MM193070;C=C(C)n1ncc(=O)o1;SUHBYWHYEGHEAN-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193071;MM193071;CC(=N)n1ncc(=O)o1;BMTNFYHRQRCJNJ-UHFFFAOYSA-N;127.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193072;MM193072;CC(=O)n1ncc(=O)o1;CJWHYDDIIYHHBE-UHFFFAOYSA-N;128.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193073;MM193073;NC(=O)n1ncc(=O)o1;MGRSQYWAGNALTK-UHFFFAOYSA-N;129.08;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193074;MM193074;Nc1nn(O)c(=O)c(=O)o1;OWSHKZOXCLUESC-UHFFFAOYSA-N;145.07;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193075;MM193075;CC(=N)N1CC=C(C)C1;ZKFQSANILCFALZ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193076;MM193076;CC(C)C1=CCC(N)C1;FGUINTAWXSTLLR-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193077;MM193077;CC(C)C1=CCN(C)C1;LGCYZVBTZXCBFA-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193078;MM193078;C=C(C)C1=CCC(C)C1;WYIWGQDSMCDZAC-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193079;MM193079;C=C(C)C1=CCC(N)C1;GNULIYYPVCWPAG-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193080;MM193080;C=C1CNC(=O)N(N)C1;HQCLMUADAVHAIB-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193081;MM193081;C=C(C)C1=CCC(F)C1;JRFLMCRRUXCKQS-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193082;MM193082;C=C(C)C1=CCN(C)C1;BFDWDLOBFJYFTE-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193083;MM193083;C=C1CC(C(C)C)=CO1;DVDWGSJIMMHBHB-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193084;MM193084;CC(C)C1=NNC(=O)C1;FWQHEVSBIIZUNR-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193085;MM193085;CC(C)C1=CCC(=O)O1;JBLWXUIHNLMXEX-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193086;MM193086;CC(C)c1coc(=O)o1;QZITUMUHPHTDOH-UHFFFAOYSA-N;128.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193087;MM193087;CC(N)c1coc(=O)o1;XSKWQHKTJQOTIK-UHFFFAOYSA-N;129.12;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193088;MM193088;CC(O)c1coc(=O)o1;KGTHKMQMMUIBGG-UHFFFAOYSA-N;130.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193089;MM193089;CC(F)c1coc(=O)o1;XVCMOWOOXZGGKL-UHFFFAOYSA-N;132.09;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193090;MM193090;O=c1occ(C(F)F)o1;DHSSRPUFERKMPQ-UHFFFAOYSA-N;136.05;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193091;MM193091;CC(C)c1noc(=O)o1;RBURXGNSKIOSKJ-UHFFFAOYSA-N;129.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193092;MM193092;CC(O)c1noc(=O)o1;XUQZWQNWJWJLDI-UHFFFAOYSA-N;131.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193093;MM193093;CC(F)c1noc(=O)o1;NELTYFJHHVMYIU-UHFFFAOYSA-N;133.08;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193094;MM193094;O=c1onc(C(F)F)o1;SZRGIHKQSIPCRQ-UHFFFAOYSA-N;137.04;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193095;MM193095;CN(C)c1coc(=O)o1;DMSORQAIXNNONU-UHFFFAOYSA-N;129.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193096;MM193096;CN(C)c1noc(=O)o1;COIPXOIGTMGCLW-UHFFFAOYSA-N;130.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193097;MM193097;C=C1CC=C(C(=C)C)C1;XDRSITLGQDNGLJ-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193098;MM193098;C=C(C)C1=CCC(=O)C1;BSJQRVBWQFLNGZ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193099;MM193099;C=C(C)C1=CNC(=N)C1;GVSWAEPTDCEPEO-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193100;MM193100;C=C(C)C1=CNC(=O)C1;BUGFGFCLURQIKX-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193101;MM193101;C=C1CC(C(=C)C)=CO1;JLPYVDQURDQSRA-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193102;MM193102;C=C(C)C1=CCC(=N)N1;OKCGHGROVFTJMF-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193103;MM193103;C=C(C)C1=CCC(=O)N1;PVUUZEJNUBBAOB-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193104;MM193104;C=C(C)c1c[nH]c(=N)[nH]1;XSYNSKWOSDZKKN-UHFFFAOYSA-N;123.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193105;MM193105;C=C1CNC(C(=C)C)=N1;JKWCLUZTNFUJHO-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193106;MM193106;C=C1CC=C(C(=C)C)O1;VZKWVQRXCRZXQW-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193107;MM193107;C=C(C)C1=CCC(=O)O1;UKOPJFRDYOFHGY-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193108;MM193108;C=C(C)c1coc(=O)o1;WIVLPTKCTHHTIU-UHFFFAOYSA-N;126.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193109;MM193109;CC(=O)c1coc(=O)o1;YRHUMENEXFPSGR-UHFFFAOYSA-N;128.08;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193110;MM193110;N=C(N)c1coc(=O)o1;IVKWOKRQVBIQRX-UHFFFAOYSA-N;128.09;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193111;MM193111;NC(=O)c1coc(=O)o1;ANFFYVHOMCQOBP-UHFFFAOYSA-N;129.07;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193112;MM193112;Cc1cc(O)no1;KGVPNLBXJKTABS-UHFFFAOYSA-N;99.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193113;MM193113;O=c1occ([N+](=O)[O-])o1;ITYWUHAHYMCBRP-UHFFFAOYSA-N;131.04;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193114;MM193114;C=C(F)c1coc(=O)o1;LZIKODGTZTXIOP-UHFFFAOYSA-N;130.07;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193115;MM193115;C=C(C)c1noc(=O)o1;FGQZKCDITLFTPQ-UHFFFAOYSA-N;127.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193116;MM193116;CC(=O)c1noc(=O)o1;BWVXXRKTGDDBEM-UHFFFAOYSA-N;129.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193117;MM193117;N=C(N)c1noc(=O)o1;LFBIUEDFPNWFIJ-UHFFFAOYSA-N;129.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193118;MM193118;NC(=O)c1noc(=O)o1;IHYUWWBTUUCBQN-UHFFFAOYSA-N;130.06;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193119;MM193119;Cc1ncoc1O;PFYNCRCDKHIWBA-UHFFFAOYSA-N;99.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193120;MM193120;O=c1onc([N+](=O)[O-])o1;MISHEFJSRRKZNU-UHFFFAOYSA-N;132.03;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193121;MM193121;C=C(F)c1noc(=O)o1;KIBMEQXMJZUOEH-UHFFFAOYSA-N;131.06;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193122;MM193122;CC1=CC=C(C(C)C)C1;AWRPJGNCOONQJQ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193123;MM193123;Cc1ccc(C(C)C)[nH]1;XFOLOKYPQYBLQY-UHFFFAOYSA-N;123.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193124;MM193124;CC(C)c1cnc(N)[nH]1;RPDVZWUZLKNPRS-UHFFFAOYSA-N;125.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193125;MM193125;CC(N)c1cnc(N)[nH]1;GFBMPMJYARGQAF-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193126;MM193126;CC(C)c1cnc(O)[nH]1;DSJJTODXPFTCAO-UHFFFAOYSA-N;126.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193127;MM193127;CC(C)c1nc(F)c[nH]1;DHVINPOUPDFXLM-UHFFFAOYSA-N;128.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193128;MM193128;Cc1ccc(C(C)C)o1;JYOVNNBTWWYRGU-UHFFFAOYSA-N;124.18;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193129;MM193129;Cc1ncc(C(C)C)o1;FJQRCBASFPJECV-UHFFFAOYSA-N;125.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193130;MM193130;NN=C1CC2(O)CC2O1;ZEBQDDWTAAYTQI-UHFFFAOYSA-N;128.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193131;MM193131;Nn1oc(=O)cc(O)c1=O;LNKMQXNNYGXSHR-UHFFFAOYSA-N;144.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193132;MM193132;C=C(C)C1=CC=C(C)C1;SJRZIKSXDIBJCP-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193133;MM193133;CC1=CC=C(C(=N)N)C1;XCNWZJXGXMDCPI-UHFFFAOYSA-N;122.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193134;MM193134;C=C(C)C1=CC=C(F)C1;IYOQUMWJJKDMIW-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193135;MM193135;C=C(C)C1=NN=C(C)C1;ZJQQZHVIBGDYHP-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193136;MM193136;C=C(C)c1ccc(C)[nH]1;RDMORTNHHYXATO-UHFFFAOYSA-N;121.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193137;MM193137;NN=CC1=CC(F)C=C1;TYLBIHLMFPHQIK-UHFFFAOYSA-N;126.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193138;MM193138;C=C(C)c1ccc(O)[nH]1;GORRSDHXCHRYDF-UHFFFAOYSA-N;123.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193139;MM193139;C=C(C)c1ccc(F)[nH]1;RTPDKIHELLUQBC-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193140;MM193140;C=C(C)c1cnc(N)[nH]1;XSYNSKWOSDZKKN-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193141;MM193141;C=C(C)c1cnc(O)[nH]1;AFDKZILSDPTAGJ-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193142;MM193142;C=C(C)c1ccc(C)o1;NNTUPAINNBMOFI-UHFFFAOYSA-N;122.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193143;MM193143;C=C(C)c1ccc(N)o1;VUFMISFWRGJQJH-UHFFFAOYSA-N;123.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193144;MM193144;C=C(C)c1ccc(F)o1;FFYPQNXHSMCUJJ-UHFFFAOYSA-N;126.13;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193145;MM193145;C=C(C)c1cnc(C)o1;LQKFLZVPUJBYCR-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193146;MM193146;CNN=C(NO)C(C)(C)O;CRQIHYKPENQOBB-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193147;MM193147;C=C(C)c1ncc(C)o1;FFAAQMAZSWQWNR-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193148;MM193148;C=C(CC)NC(=O)C=NN;IYVTUVWGMGPRAQ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193149;MM193149;CC(=N)N1C=C(C)CC1;SUROQAQPJGKVEQ-UHFFFAOYSA-N;124.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193150;MM193150;C=C(C)n1ccc(C)c1;SBQOLGUILSJTBV-UHFFFAOYSA-N;121.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193151;MM193151;C=C(C)n1ccc(N)c1;HJACKNJBIHUHQJ-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193152;MM193152;C=C(C)n1ccc(O)c1;PHHOOSIIWWEJFM-UHFFFAOYSA-N;123.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193153;MM193153;CC1=CC(C(C)C)=CC1;RGVMTPQFOKGKAH-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193154;MM193154;CC(N)C1=CCC(F)=C1;KJRHEMRSUZOLEA-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193155;MM193155;Cc1cc(C(C)C)co1;IQPLHYOMWNCZKS-UHFFFAOYSA-N;124.18;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193156;MM193156;CC(C)c1coc(N)c1;DHDHQEXIVQVICB-UHFFFAOYSA-N;125.17;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193157;MM193157;CC(C)c1coc(F)c1;LIOQBWRHFUCUAA-UHFFFAOYSA-N;128.15;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193158;MM193158;C=C(C)NC(=O)N(N)CC;MBIYXYRKRWSSRQ-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193159;MM193159;COCC(O)C(CO)=NO;JFJNDHPWNUHOMC-UHFFFAOYSA-N;149.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193160;MM193160;Cc1nc(C(C)C)co1;DYDJGGSHMXXBEP-UHFFFAOYSA-N;125.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193161;MM193161;CC(=N)N=C(N)C(=O)CO;UYPHSLWYSQZDAP-UHFFFAOYSA-N;143.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193162;MM193162;COn1cc(O)c(C)n1;BPUWDEKDVOZWKM-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193163;MM193163;C=C(C)C1=CCC(C)=C1;OZHUCQOEOBSPKA-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193164;MM193164;CC1=CC(C(=N)N)=CC1;ASKVZUFBQXQMKX-UHFFFAOYSA-N;122.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193165;MM193165;C=C(C)C1=CCC(F)=C1;RUVZNBQZHRHUTK-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193166;MM193166;C=C(C)c1c[nH]c(C)c1;AADMPPBOEAPJBY-UHFFFAOYSA-N;121.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193167;MM193167;CON=C(C)C(O)CC=O;VHLAZPQWEYZQSB-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193168;MM193168;C=C(C)c1c[nH]c(O)c1;NBSJOURVNWQKBB-UHFFFAOYSA-N;123.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193169;MM193169;C=C(C)c1c[nH]c(F)c1;LTYFHQRVONFKLK-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193170;MM193170;C=C(C)c1coc(C)c1;FHQDYYKALOPOAV-UHFFFAOYSA-N;122.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193171;MM193171;C=C(C)c1coc(N)c1;ZLVZTAVBVVPJNK-UHFFFAOYSA-N;123.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193172;MM193172;CON=C(C)N(O)C(C)=N;LDVPDQJEMJHNCP-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193173;MM193173;C=C(C)c1c[nH]c(N)n1;XSYNSKWOSDZKKN-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193174;MM193174;C=C(C)c1c[nH]c(O)n1;AFDKZILSDPTAGJ-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193175;MM193175;C=C(C)c1coc(C)n1;KIPNQOGGUDSOTK-UHFFFAOYSA-N;123.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193176;MM193176;CC1C=C(C(C)C)CC1;ACQWMMUVHAXRPF-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193177;MM193177;CC1C=C(C(C)N)CC1;XHUGIIMSYISPRS-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193178;MM193178;CC(C)C1=CC(N)CC1;PGOLFMCGDKSEHN-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193179;MM193179;CC(N)C1=CC(N)CC1;ZZPMLGZTMAEWQH-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193180;MM193180;N#CC(=N)NCC(O)CF;LDPFYAFGUCXTSE-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193181;MM193181;CC(N)C1=CC(O)CC1;QPXWLSFBVRCUDD-UHFFFAOYSA-N;127.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193182;MM193182;CC(O)C1=CC(O)CC1;AHCBFYGUXGGGBG-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193183;MM193183;CC(C)C1=CC(F)CC1;BLUJERVJNVJAJH-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193184;MM193184;CC(N)C1=CC(F)CC1;UUCOYOSIWFPMHG-UHFFFAOYSA-N;129.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193185;MM193185;CC(O)C1=CC(F)CC1;MYYLUNUSEGZMPM-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193186;MM193186;CC1C=C(C(C)C)CN1;VKXCCWWDZBQLPE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193187;MM193187;CC1C=C(C(C)C)CO1;KSCXBDPWCRYDQA-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193188;MM193188;CC(C)C1=NN(C)CC1;CXXSRORPKHHJDS-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193189;MM193189;COC(=NOC(N)=O)NN;YAGXXFZHUBCJDH-UHFFFAOYSA-N;148.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193190;MM193190;C=C(C)C1=CC(C)CC1;HZBPJBGATWOXIM-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193191;MM193191;C=C(C)C1=CC(N)CC1;KKMAICCECLNBCW-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193192;MM193192;N=C(N)C1=CC(N)CC1;COZVWVVPKOAFOS-UHFFFAOYSA-N;125.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193193;MM193193;C=NNCC(O)C(C)OC;YKWZKSDCXKOPHH-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193194;MM193194;N=C(N)C1=CC(O)CC1;LHWRCRQUDDVJKU-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193195;MM193195;C=C(C)C1=CC(F)CC1;AWYGNBKGMHLSQV-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193196;MM193196;C=C(C)C1=CC(C)NC1;FEUJCAYXJOSQQL-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193197;MM193197;C=C(C)C1=CC(C)OC1;NLPUTLDPJOPYDQ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193198;MM193198;C#CC(C)C(O)CON=C;XQWAOYMUWPMLIZ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193199;MM193199;CN1C=C(C(=N)N)CC1;VSMAVWUXVWHOLS-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193200;MM193200;C=C(C)C1=NN(C)CC1;JMEYNBJVOPIAEK-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193201;MM193201;C=C1C=C(C(C)C)CC1;WNWDHMFPJKZLTC-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193202;MM193202;C=C1C=C(C(C)N)CC1;TULHHEKSOQSHAH-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193203;MM193203;NC(=NCCO)C(=O)CO;IMHNYTDZOKSBBC-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193204;MM193204;CC(C)C1=CC(=O)CC1;OGHGFNURIXNXEM-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193205;MM193205;CC(O)C1=CC(=O)CC1;YYSLYKYKAWEKGZ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193206;MM193206;CC(C)C1=CC(=N)NC1;JQLGHWBSDGONQA-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193207;MM193207;CC(N)C1=CC(=N)NC1;HZSVCHSHTDQBDL-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193208;MM193208;CC(O)C1=CC(=N)NC1;NKWLFPFYPFZOCL-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193209;MM193209;CC(C)C1=CC(=O)NC1;KAMNLGWVQKUKQW-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193210;MM193210;C=C1C=C(C(C)C)CO1;JCYPZGSRTPTIBV-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193211;MM193211;C=C1C=C(C(C)N)CO1;WCGZMQXFZYQECL-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193212;MM193212;CC(C)c1cc(O)c[nH]1;RMHFGTNEKDKAIN-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193213;MM193213;C=C1C=C(C(=C)C)CC1;XENKSDGZTKLUNC-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193214;MM193214;C=C1C=C(C(C)=O)CC1;WIRWGHSWUJIORX-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193215;MM193215;C=C1C=C(C(=N)N)CC1;XKCJBMPCOAFDQG-UHFFFAOYSA-N;122.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193216;MM193216;C=C(C)C1=CC(=O)CC1;STWIRKMSNMRUNX-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193217;MM193217;CC(=O)C1=CC(=O)CC1;DNWHNEMQSUQAQB-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193218;MM193218;N=C(N)C1=CC(=O)CC1;HMEXWECNCSJKGU-UHFFFAOYSA-N;124.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193219;MM193219;C=C(C)C1=CC(=N)NC1;UZTNKBGJHNVFNF-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193220;MM193220;C=C(C)C1=CC(=O)NC1;MEAJGJDOXKQXRZ-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193221;MM193221;C=C1C=C(C(=C)C)CO1;ZMFUNTHMRBKJIQ-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193222;MM193222;C=C(C)C1=CC(=O)OC1;OWJBTFDGUNHEFE-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193223;MM193223;CC1C=CC(C(C)C)=C1;ZIIXJJLMOHBBCQ-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193224;MM193224;CC(C)C1=CC(N)C=C1;XGFRHSONZYMHEY-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193225;MM193225;CC(N)C1=CC(N)C=C1;RVQJXVTVSGAHBR-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193226;MM193226;CC(C)C1=CC(O)C=C1;WCHYROUCIGBMJT-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193227;MM193227;CC(N)C1=CC(O)C=C1;CFRMSPARTVDNTK-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193228;MM193228;CC(C)C1=CC(F)C=C1;JUNNMQWLOFVOIM-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193229;MM193229;CC(C)c1ccn(C)c1;DTEVFJGVJGWEKN-UHFFFAOYSA-N;123.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193230;MM193230;CC(C)c1cnn(C)c1;RMMFFMJLIHITAH-UHFFFAOYSA-N;124.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193231;MM193231;CC(C)c1cnn(N)c1;NUBHDKZTOKPKFH-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193232;MM193232;CC(C)c1cnn(O)c1;DPUMMZUEKGYKKY-UHFFFAOYSA-N;126.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193233;MM193233;CC(C)c1cn(C)cn1;PKWDSORGGFNLJY-UHFFFAOYSA-N;124.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193234;MM193234;CC(C)c1ccn(N)n1;GKUZEHVDYHUCMP-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193235;MM193235;CC(C)c1cnn(C)n1;RWGLWEIBFIOEGQ-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193236;MM193236;C=C(C)C1=CC(C)C=C1;RCDBXHPTNOTHPW-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193237;MM193237;C=C(C)C1=CC(N)C=C1;JZRCAOCMUBCLQD-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193238;MM193238;C=C(C)C1=CC(O)C=C1;HBFTVOXEQXQAEY-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193239;MM193239;C=C(C)C1=CC(F)C=C1;JFPZYMYMUUKSRU-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193240;MM193240;C=C(C)c1ccn(C)c1;MXXYSAFGTIYGFE-UHFFFAOYSA-N;121.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193241;MM193241;C=C(C)c1ccn(N)c1;CYOUWMXOORYSCJ-UHFFFAOYSA-N;122.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193242;MM193242;C=C(C)c1ccn(O)c1;NMFMCJVWVUQCDR-UHFFFAOYSA-N;123.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193243;MM193243;C=C(C)c1cnn(C)c1;DTYIOVHQBPAFRT-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193244;MM193244;C=C(C)c1cnn(N)c1;OCGQTZKPKUDEDW-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193245;MM193245;C=C(C)c1cnn(O)c1;NBPHPEHOKZYOMG-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193246;MM193246;C=C(C)c1cn(C)cn1;RRBDVHQKRMHFMT-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193247;MM193247;C=C(C)c1cn(N)cn1;KKRATYINIFERGF-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193248;MM193248;CCNN=C(N)C(=O)CO;UGONJOJFDSVPMM-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193249;MM193249;C=C(C)c1ccn(C)n1;QUUOSXHQYAFUDI-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193250;MM193250;C=C(C)c1ccn(N)n1;YQLCTURSYPXTFY-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193251;MM193251;C=C(C)c1ccn(O)n1;VNXGJZFJTCWVDJ-UHFFFAOYSA-N;124.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193252;MM193252;C=C(C)c1cnn(C)n1;CFVZEADNVFVWLX-UHFFFAOYSA-N;123.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193253;MM193253;C=C(C)c1ncn(C)n1;JCLBQYBAXBKBOF-UHFFFAOYSA-N;123.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193254;MM193254;C=C(C)c1ncn(N)n1;WNKZIKAYZSUPCI-UHFFFAOYSA-N;124.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193255;MM193255;C=C1C=CC(C(C)C)=C1;QYNKRVQXOULMTR-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193256;MM193256;C=C1C=CC(C(C)N)=C1;WYDYWXHPBJAVCD-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193257;MM193257;CC(C)C1=CC(=O)C=C1;BWABWFCFUAUJHT-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193258;MM193258;CC(O)C1=CC(=O)C=C1;WFNKQNICNSCSDK-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193259;MM193259;CC(C)C1=NC(=O)C=C1;FUHJCIODRKXLQB-UHFFFAOYSA-N;123.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193260;MM193260;CC(C)C1=NC(=O)N=C1;ZWFRYUZNELSFLL-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193261;MM193261;CC(C)C1=NC(=O)C=N1;MPNJHSAYSYCZFM-UHFFFAOYSA-N;124.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193262;MM193262;C=C1C=CC(C(=C)C)=C1;FUZQGDQYJGWJFB-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193263;MM193263;C=C1C=CC(C(C)=O)=C1;RHQPYWMEKBJPDP-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193264;MM193264;C=C1C=CC(C(=N)N)=C1;XEQLCULBRYCNEN-UHFFFAOYSA-N;120.16;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193265;MM193265;C=C(C)C1=CC(=O)C=C1;FKROMXSUVYPCLX-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193266;MM193266;CC(=O)C1=CC(=O)C=C1;ODMLABWGISMFQK-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193267;MM193267;C=C(C)C1=CC(=O)N=C1;IITDGSHQXWANJU-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193268;MM193268;C=C(C)C1=CC(=O)C=N1;GRIJGWDJIKQLDI-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193269;MM193269;CN=CN=C(N)C(=O)CO;UYHPNZVGACRRCJ-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193270;MM193270;N=C1C=CC(C(=N)N)=N1;AQEUFMJPWNRRPA-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193271;MM193271;C=C(C)C1=NC(=O)C=C1;XDPVZSNXHFQPTE-UHFFFAOYSA-N;121.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193272;MM193272;N=C(CO)N(O)C=NC=O;KDGGEBOJNWXAGN-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193273;MM193273;C=C(C)C1=NC(=N)N=C1;SZOYPEIUSFXKHI-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193274;MM193274;C=C(C)C1=NC(=O)N=C1;KPMVNMQVBYQINU-UHFFFAOYSA-N;122.13;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193275;MM193275;C=C(C)C1=NC(=N)C=N1;ZAHUSPYCZWHPFW-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193276;MM193276;C=C(C)C1=NC(=O)C=N1;YKENCPJWWCDEEN-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193277;MM193277;CC1=CCC(C(C)C)=C1;FLWSPSZKEHTIQV-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193278;MM193278;CC1=CCC(C(C)N)=C1;ASZQXTMYGZSJGB-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193279;MM193279;CC1=CCC(C(C)O)=C1;ZQXGMJOYKCKQHG-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193280;MM193280;CC(C)C1=CC(F)=CC1;VZJYDYDREGDSSD-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193281;MM193281;CC(N)C1=CC(F)=CC1;PRCIVCPYZCNKFT-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193282;MM193282;CC(O)C1=CC(F)=CC1;QPXPSAGETHWTRX-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193283;MM193283;Cc1c[nH]c(C(C)C)c1;HPWZYRWQXUQHAX-UHFFFAOYSA-N;123.2;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193284;MM193284;N#CC=CNCC(O)CF;YJXYWNYUUOCSOH-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193285;MM193285;CC(N)c1cc(N)c[nH]1;SSUKQQGJASVLTA-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193286;MM193286;CC(C)c1cc(F)c[nH]1;ZEQFAAZEUDGINA-UHFFFAOYSA-N;127.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193287;MM193287;C=C(C)C1=CC(C)=CC1;XHUZFYHMEPAAAE-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193288;MM193288;CC(=O)C1=CC(C)=CC1;VSJAHSQWDPEFNX-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193289;MM193289;CC1=CCC(C(=N)N)=C1;FDDILMYBGMOJQY-UHFFFAOYSA-N;122.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193290;MM193290;C=C(C)C1=CC(F)=CC1;YQKDJBQMZZBJMF-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193291;MM193291;CC(=O)C1=CC(F)=CC1;ALSWEZWMFOISOZ-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193292;MM193292;N=C(N)C1=CC(F)=CC1;GHGYOGUZWFGFSA-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193293;MM193293;C=C(C)c1cc(C)c[nH]1;ALVSCZBJFFDFCA-UHFFFAOYSA-N;121.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193294;MM193294;CC(C)=C1CCC(C)C1;AZKDJRKMDFQOCW-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193295;MM193295;CC(C)=C1CCC(N)C1;SYIRIWDGRJCRBU-UHFFFAOYSA-N;125.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193296;MM193296;CC(C)=C1CCN(C)C1;WYRDQDHERWUZKG-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193297;MM193297;C=C1CCC(=C(C)C)C1;VIAXNIZDRUUMKF-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193298;MM193298;CC(C)=C1CCC(=O)C1;WZRKETVKALWWBN-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193299;MM193299;CC(C)=C1CNC(=N)C1;TWBVZKVYFHXFJY-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193300;MM193300;CC(C)=C1CCC(=N)N1;UHNBAKWAUQUHTM-UHFFFAOYSA-N;124.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193301;MM193301;CC(C)=C1CCC(=O)N1;WIMWCLRHKFMOFT-UHFFFAOYSA-N;125.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193302;MM193302;C=C1CCC(=C(C)C)O1;VIPMYCHEBFYLEJ-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193303;MM193303;CC(C)=C1C=CC(C)C1;LJSANVIEQYGTRF-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193304;MM193304;C=C1C=CC(=C(C)C)C1;MZNZOTGNYXIEMW-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193305;MM193305;CC(C)=C1C=CC(=O)C1;MYNJDZXBPRXYQJ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193306;MM193306;CC(C)=C1C=CC(=N)N1;DDAHNKCFXVMMSG-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193307;MM193307;CC(C)=C1C=CC(=O)N1;HPFHOJXBKKUISX-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193308;MM193308;C=c1ccc(=C(C)C)o1;YZIAHKNQASUBDS-UHFFFAOYSA-N;122.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193309;MM193309;C=c1ccc(=C(C)F)o1;WHUZLFFNFISJIG-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193310;MM193310;C=c1ccc(=C(F)F)o1;PCMUKEHGHVHQGJ-UHFFFAOYSA-N;130.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193311;MM193311;CC1=CCC(=C(C)C)C1;BLUZAZRRLXVLPM-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193312;MM193312;CC(C)=C1CC=C(F)C1;KXTFGEFHISVXHH-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193313;MM193313;CC1=NCC(=C(C)C)N1;BWIYTTQLMKTZCW-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193314;MM193314;CC1=CCC(=C(C)C)O1;PZHCFYWBKZCYLV-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193315;MM193315;CC1=CC(=C(C)C)CC1;DHAILULKZVRECO-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193316;MM193316;CC(C)=C1C=C(F)CC1;WFNORPGAKAYIQY-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193317;MM193317;CC1=CC(=C(C)C)C=C1;HDHYMLWPVAELKP-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193318;MM193318;CC(C)=C1C=CC(F)=C1;YCXLTTRMFBAMAY-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193319;MM193319;C#CCC12CCC(C1)C2;JBFJLWDYJJUBIL-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193320;MM193320;C#CCC12CNC(C1)C2;GJNOBJQWBRJSIN-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193321;MM193321;C#CCC12COC(C1)C2;YQWLTGDVMQYMEP-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193322;MM193322;CC=CC12CNC(C1)C2;NHEWJHWPEGRONU-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193323;MM193323;CC#CC12CCC(C1)C2;PSUKKGZIIAPLSU-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193324;MM193324;CC#CC12COC(C1)C2;FIWKAPWJEWETBH-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193325;MM193325;CC#CC12CC(CO1)C2;GTMXHVFPVUMMBI-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193326;MM193326;CC#CC12CCC(C1)N2;IYBGFSRXFDDTAN-UHFFFAOYSA-N;121.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193327;MM193327;CC#CC12CCC(C1)O2;KKECODHJRQLNCW-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193328;MM193328;C#CCC12C=CC(C1)C2;PGOUCANQYLZPFM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193329;MM193329;CC#CC12C=CC(C1)C2;IRYVAQUHFZUKDQ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193330;MM193330;CC#CC12C=CC(C1)O2;UGOYWUXAALLNJC-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193331;MM193331;OCc1cnn(O)c1O;CUTVNFGHXBMSOF-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193332;MM193332;N#CC(=NO)OCC=NO;YWXHLLIMZFOGGN-UHFFFAOYSA-N;143.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193333;MM193333;CC#Cc1[nH]nc(O)c1N;XVHSRUJMLUZUEV-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193334;MM193334;CN=c1[nH]c(=N)nno1;QEFXCBRKILYWEW-UHFFFAOYSA-N;127.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193335;MM193335;N=c1nnoc(=NN)[nH]1;ATKGSJJEWZUIDA-UHFFFAOYSA-N;128.1;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193336;MM193336;Cn1c(O)c(F)n(N)c1=O;BWGXWUKKFDFGPW-UHFFFAOYSA-N;147.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193337;MM193337;C#Cc1c[nH]n(C=N)c1=O;DIVWRDJJOFHDDS-UHFFFAOYSA-N;135.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193338;MM193338;CCOc1nc(=N)cn[nH]1;OTATYECRPRBESZ-UHFFFAOYSA-N;140.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193339;MM193339;Cn1cncnoc(=O)[nH]1;XDIWIQHIKPUXGA-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193340;MM193340;N=c1[nH]oc(=O)c(=O)o1;BXRQSTMLUNTIQN-UHFFFAOYSA-N;130.06;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193341;MM193341;N=c1cc(O)nc(O)n1O;ALAVTQJDDDFCJE-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193342;MM193342;CN=c1[nH]c(F)co1;CWTGWZOJQHWCMI-UHFFFAOYSA-N;116.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193343;MM193343;Cc1oc(=O)n(O)c1F;DMIULMUQBMBBOI-UHFFFAOYSA-N;133.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193344;MM193344;O=c1nnn(O)c(=O)o1;YVJNUVWTEFLDQT-UHFFFAOYSA-N;131.05;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193345;MM193345;O=c1c(=NO)onnn1O;JEKAKPVAWLIYLB-UHFFFAOYSA-N;146.06;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193346;MM193346;C=CCc1oc(=O)oc1O;ZJLKJSOBAWKVFI-UHFFFAOYSA-N;142.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193347;MM193347;O=c1c(=NO)oncn1O;MHBPGVPHQUGTFV-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193348;MM193348;Cc1c[nH]n(O)c1=O;IOGBMGFSBQGFFN-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193349;MM193349;O=c1[nH]oc(=NO)c(=O)o1;COEPLENGOHSEPY-UHFFFAOYSA-N;146.06;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193350;MM193350;CCN=C(C#N)NC(C)=O;XWPHYHVZHSSDRE-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193351;MM193351;Nn1nnn(O)c(=O)c1=O;GJSBLEWKZKDMGM-UHFFFAOYSA-N;145.08;-3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193352;MM193352;CNc1coc(C#N)c1O;PNKFPTMEHUSQIA-UHFFFAOYSA-N;138.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193353;MM193353;CC(C)n1oc(=N)[nH]c1=O;VEKDQZFOQVGMEL-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193354;MM193354;CNN=C(NC)C(=O)CO;OTERUVILHDEXDL-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193355;MM193355;CC(=N)N=C(C#N)NC=O;KDCUVLZOEYKTPG-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193356;MM193356;Cn1nc(F)c(O)c1N;VKFUHNOULKENSW-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193357;MM193357;Cn1[nH]c(=NN)n(O)c1=O;HHLFXUGHRZXKAT-UHFFFAOYSA-N;145.12;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193358;MM193358;CN=c1nnoc(=N)[nH]1;LPSSRYSYGKPPJT-UHFFFAOYSA-N;127.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193359;MM193359;N=c1[nH]c(=NN)nno1;XDXVITPBVAAMPQ-UHFFFAOYSA-N;128.1;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193360;MM193360;Cc1c(O)noc1N;BZIGXFIRZXAOSP-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193361;MM193361;C=NN=c1nc(O)n(C)o1;BNKXFUAIWIBSGN-UHFFFAOYSA-N;142.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193362;MM193362;Nc1c(O)n[nH]c1CO;DKSYOBOCKZSCNZ-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193363;MM193363;N=c1[nH]ccc(=NN)o1;PQHYCFBSOHTXMQ-UHFFFAOYSA-N;126.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193364;MM193364;NN=c1cc[nH]c(=O)o1;HSIJQVKGDFMPBQ-UHFFFAOYSA-N;127.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193365;MM193365;N=c1[nH]nnc(=NO)o1;WBQCRKNHYFRUJC-UHFFFAOYSA-N;129.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193366;MM193366;ON=c1ccn(O)c(O)n1;NFPVFXQEZGAPFA-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193367;MM193367;N=c1c(N)noc(=O)n1O;BNRAPCIFWKUOSF-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193368;MM193368;Cc1c(N)c(O)nn1N;CBUSUKQFMLEDAF-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193369;MM193369;C#Cc1cc(=O)n(N)n1O;JNMAAZOXBPQRMH-UHFFFAOYSA-N;139.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193370;MM193370;CN=c1nncc(C)o1;DCMXRYWJNOUQTI-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193371;MM193371;Cc1cnnc(=NN)o1;VTNMKDYBUXNXAL-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193372;MM193372;Cc1cnnc(=NO)o1;RSTWBMVTBBOZJI-UHFFFAOYSA-N;127.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193373;MM193373;C=C1C(C#N)=NC(=N)N1O;PDXAIJPZMSNVBR-UHFFFAOYSA-N;136.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193374;MM193374;N#CC(=CN)C(O)CC=O;KXELOSOELDXVRK-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193375;MM193375;Nc1cnnc(=NO)o1;FRAHLISWUGSVOX-UHFFFAOYSA-N;128.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193376;MM193376;Cn1nc(O)c(=O)n1N;IWYXEDBVUWMQRA-UHFFFAOYSA-N;130.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193377;MM193377;Nc1noc(=NO)[nH]1;SBOLDFJUIOBGSX-UHFFFAOYSA-N;116.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193378;MM193378;C#CC(C#N)C(N)=O;QENHAVLSRBKRPJ-UHFFFAOYSA-N;108.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193379;MM193379;CN=c1nncc(F)o1;GSZBBHAPAKVZEN-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193380;MM193380;NN=c1nncc(F)o1;AWTWSKXQYMLOIN-UHFFFAOYSA-N;130.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193381;MM193381;CN=c1cc[nH]c(=N)o1;KPBBQUAAELQZGJ-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193382;MM193382;CN=c1cc[nH]c(=O)o1;ZHRHVPKOLKWGLV-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193383;MM193383;CCc1cnnc(=N)o1;GGFLWDBQSDDHPT-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193384;MM193384;N=c1nncc(CN)o1;ATUWDSWWIKHVKA-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193385;MM193385;CN=CN(O)C(CO)=NC;LALZNJFGKMVGDI-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193386;MM193386;N=c1nncc(CF)o1;MDBPQQAZAQGAFJ-UHFFFAOYSA-N;129.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193387;MM193387;CCc1cnnc(=O)o1;OPOLGUQCQBXMKN-UHFFFAOYSA-N;126.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193388;MM193388;NCc1cnnc(=O)o1;UKEBAQHIMOKZSN-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193389;MM193389;O=c1nncc(CO)o1;ALKZNFYBYISOBJ-UHFFFAOYSA-N;128.09;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193390;MM193390;O=c1nncc(CF)o1;UXTJZHCQEDWVFG-UHFFFAOYSA-N;130.08;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193391;MM193391;CN=c1oc(CO)cn1O;GPWFGDOHIUREGD-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193392;MM193392;CNc1cnnc(=O)o1;NIJQFACQIMJIGS-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193393;MM193393;COc1cnnc(=N)o1;XTAKJMMHSMZFKN-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193394;MM193394;COc1cnnc(=O)o1;CAFGTMUKHXQNKZ-UHFFFAOYSA-N;128.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193395;MM193395;C=Cc1cnnc(=N)o1;WZPAYYUYPVLORS-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193396;MM193396;N=c1nncc(C=O)o1;UGGMWJRUAQRWJV-UHFFFAOYSA-N;125.09;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193397;MM193397;N#Cc1cnnc(=N)o1;IWLWPXIQQWLJLZ-UHFFFAOYSA-N;122.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193398;MM193398;C=Cc1cnnc(=O)o1;HVDBAIJUPCTWSM-UHFFFAOYSA-N;124.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193399;MM193399;O=Cc1cnnc(=O)o1;HCASQLJGDBVOJY-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193400;MM193400;N#Cc1cnnc(=O)o1;UNZSNICVWXIBGR-UHFFFAOYSA-N;123.07;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193401;MM193401;C#Cc1cnnc(=N)o1;GPZYYZAFFGHBPH-UHFFFAOYSA-N;121.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193402;MM193402;C#Cc1cnnc(=O)o1;UCTWHVTYMAEPHX-UHFFFAOYSA-N;122.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193403;MM193403;C#CC1NC1C1C(O)C1F;JLAMSXOQQCOOTM-UHFFFAOYSA-N;141.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193404;MM193404;CN=C(N)C(=O)CO;QSJWVOJCEZLUEM-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193405;MM193405;NN=c1cc(O)nno1;QJYBAJBZMNEZLF-UHFFFAOYSA-N;128.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193406;MM193406;NN=C1COC(=O)C1;SJEQRWMEJRNFSI-UHFFFAOYSA-N;114.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193407;MM193407;CN=c1cnoc(C)n1;FNEIXZWZJYHJEW-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193408;MM193408;N=CN1CC(O)C=N1;WIOKOKFLMYIGGJ-UHFFFAOYSA-N;113.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193409;MM193409;Cc1nc(=NO)cno1;FXBJLBOGXWHKCA-UHFFFAOYSA-N;127.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193410;MM193410;OC(CF)CN1CC1;WAAIRYGHOZWYHT-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193411;MM193411;CC1=NCC(=N)N1O;OVNALHAICMYPTN-UHFFFAOYSA-N;113.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193412;MM193412;Nc1nc(=NO)cno1;JZUWNZCZHHHRQE-UHFFFAOYSA-N;128.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193413;MM193413;Cn1ncc(=O)n(O)c1=O;PZQVIZPVDMOIKC-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193414;MM193414;CCc1oc(=O)n(O)c1F;XIVDNBXMAAAQFB-UHFFFAOYSA-N;147.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193415;MM193415;C=Cc1oc(=O)n(O)c1F;LBQBQIDJRFHSEE-UHFFFAOYSA-N;145.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193416;MM193416;CN=c1cnoc(F)n1;OACBUTSELPLDAQ-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193417;MM193417;CC(O)(CO)CN1CC1;JYBRJSBTRWNQCM-UHFFFAOYSA-N;131.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193418;MM193418;C#Cc1nn(O)c(=O)n1O;JFZDCSYAIHDHFN-UHFFFAOYSA-N;141.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193419;MM193419;CN=c1nc(F)oc(=O)[nH]1;CBRKTEVXZAIMNC-UHFFFAOYSA-N;145.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193420;MM193420;C=Cn1oc(O)nc1=O;CEIVHVDGMMTGIF-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193421;MM193421;CCc1cc(=O)onn1;BZGYDPORSKEXCO-UHFFFAOYSA-N;126.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193422;MM193422;NCc1cc(=O)onn1;CAJQOVHVWJMPFS-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193423;MM193423;O=c1cc(CO)nno1;YPPYKAAWRFFKKX-UHFFFAOYSA-N;128.09;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193424;MM193424;O=c1cc(CF)nno1;UZHCXOPPLBSYGX-UHFFFAOYSA-N;130.08;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193425;MM193425;CNc1cc(=O)onn1;GAIKNBLDPQKAMH-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193426;MM193426;COc1cc(=O)onn1;NMFMJEINAQXAIB-UHFFFAOYSA-N;128.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193427;MM193427;C=Cc1cc(=O)onn1;MWFPXHRUKICCAG-UHFFFAOYSA-N;124.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193428;MM193428;O=Cc1cc(=O)onn1;CSBOPZGTGXNPEL-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193429;MM193429;N#Cc1cc(=O)onn1;CXMWTHFGJDBTAM-UHFFFAOYSA-N;123.07;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193430;MM193430;C#Cc1cc(=O)onn1;MMFIIUUPTQTKSL-UHFFFAOYSA-N;122.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193431;MM193431;CCCC1CC(CC)C1;NYOBISPPXGVDFE-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193432;MM193432;CCC1CC(CCN)C1;BJLWUGLNKOSMOF-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193433;MM193433;CN(C)C(=N)C(=O)CO;XIOGFVKBCHNIFP-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193434;MM193434;CCCC1CC(CN)C1;ATBYKLNRTNGVEU-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193435;MM193435;NCCC1CC(CN)C1;ZCXXULZLUONIFM-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193436;MM193436;C=NOCC1(F)CC1O;QNLTWMJYBFDUFU-UHFFFAOYSA-N;133.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193437;MM193437;NCCC1CC(CO)C1;MSLJBAVHYBGIEN-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193438;MM193438;C=NOC(C)C(=O)CO;GJTSUZYUAMIIHA-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193439;MM193439;CCCC1CC(CF)C1;GBPBUAYGTIEOJM-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193440;MM193440;CNCC1CC(CN)C1;SPUWCVQNYAZUIY-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193441;MM193441;CNCC1CC(CO)C1;ZBURLICLCKOJLQ-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193442;MM193442;CNCC1CC(CF)C1;CUBUNMAJKLZOOH-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193443;MM193443;CCCC1CC(NC)C1;BBHPOUUFRMWVKZ-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193444;MM193444;CNC1CC(CCN)C1;QCPZPKZJXYZLOF-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193445;MM193445;CNC1CC(CCO)C1;ZFXFYALQXQPORC-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193446;MM193446;CNCC1CC(NC)C1;OIWOHQGJQXHUIX-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193447;MM193447;CCCC1CC(OC)C1;DPVXLGGCGORBQA-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193448;MM193448;COC1CC(CCN)C1;UANJXRLIZBBKTD-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193449;MM193449;CN=CN(O)C(=N)CO;YHOZVMXVGSQRIX-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193450;MM193450;CNCC1CC(OC)C1;GQMBBYLABKDGNA-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193451;MM193451;CCNC1CC(CC)C1;QZKCAGSLNZAJRP-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193452;MM193452;CCNC1CC(CN)C1;XVZNARLSSUXLPV-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193453;MM193453;CCNC1CC(CO)C1;PUJPRRYAUWBYFW-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193454;MM193454;CCNC1CC(CF)C1;OSFUAQOVVOFPNN-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193455;MM193455;CCNC1CC(NC)C1;AEMXGVXRKPNWIZ-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193456;MM193456;CCNC1CC(OC)C1;GWBCCEABPMTEDL-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193457;MM193457;CCOC1CC(CC)C1;XPQFDYPGBDVYNE-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193458;MM193458;CCOC1CC(CN)C1;VWVFKFIOHRKNIO-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193459;MM193459;CCOC1CC(CO)C1;SJZPRQXWBHBKOG-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193460;MM193460;CCOC1CC(NC)C1;SCLRSTWWWULBQX-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193461;MM193461;CCCC1CC(CC)N1;LDVWBWRELDBZOG-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193462;MM193462;CCC1CC(CCN)N1;KPKQFKNCYNIORM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193463;MM193463;CCCC1CC(CN)N1;SQCCKTQBPMMNFD-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193464;MM193464;NCC1CC(CCO)N1;GWKFCLQCLYLAAX-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193465;MM193465;CCCC1CC(CO)N1;ZZLFQRPQJLUGLG-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193466;MM193466;OCCC1CC(CO)N1;IAJJWRDSEHVSFR-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193467;MM193467;CCCC1CC(CF)N1;QGAQDBOHQMYKPS-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193468;MM193468;NCCC1CC(CF)N1;MFBXPOPYPDDANZ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193469;MM193469;CCC1CC(CNC)N1;FICJMDDKLDZXRQ-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193470;MM193470;CNCC1CC(CN)N1;ULMDRSZGZDIHHP-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193471;MM193471;CNCC1CC(CO)N1;YOPXTZBITIAAHC-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193472;MM193472;CCCC1CC(CC)O1;AFSAMHBRIFQKDP-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193473;MM193473;CCC1CC(CCN)O1;FABWWZCBPCHTIR-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193474;MM193474;CCCC1CC(CN)O1;ITWQLPWHTCBEQV-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193475;MM193475;NCCC1CC(CN)O1;VJTOLXFLDWLZIB-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193476;MM193476;CCCC1CC(CO)O1;TZCLWNYTZSVZLV-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193477;MM193477;NCCC1CC(CF)O1;QHPRPTXCIQZXLX-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193478;MM193478;CCCC1CN(CC)C1;FYDVNRIBWFNCNB-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193479;MM193479;CCN1CC(CCN)C1;BRJSYTVRXMNSPI-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193480;MM193480;CCN1CC(CCO)C1;JVVWDJGCDRISLT-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193481;MM193481;CCN1CC(CNC)C1;VKVURHAGJKDHAH-UHFFFAOYSA-N;128.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193482;MM193482;CCNC1CN(CC)C1;HTJYGVJYMKLBMM-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193483;MM193483;CCCN1CC(CC)C1;LLUSDAKHAWVZBZ-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193484;MM193484;CCC1CN(CCN)C1;ZFGGLFSTXDILSI-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193485;MM193485;CCC1CN(CCO)C1;IPVKZYHPAPWKSV-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193486;MM193486;CCCN1CC(CN)C1;HNGKORZWTIQXSJ-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193487;MM193487;NCCN1CC(CN)C1;OBFIQQNDYTVHKK-UHFFFAOYSA-N;129.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193488;MM193488;CCCN1CC(CO)C1;USSJHOHHTBUWKG-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193489;MM193489;NCCN1CC(CO)C1;SFXGESHSXLYBGH-UHFFFAOYSA-N;130.19;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193490;MM193490;CCCN1CC(CF)C1;COXJNAPYFFPFKP-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193491;MM193491;CCCN1CC(NC)C1;DSLBVXMMXMGDJF-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193492;MM193492;COC1CN(CCN)C1;HFIIWEHGDTYDGB-UHFFFAOYSA-N;130.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193493;MM193493;C=CCC1CC(CC)C1;MWJSBYDXZCQDMS-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193494;MM193494;CCC1CC(CC=O)C1;ZSBOAPDBIFBMKF-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193495;MM193495;CCC1CC(CC#N)C1;XLKIFVMEZQZPTM-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193496;MM193496;C=CCC1CC(CN)C1;JVVZWNIVYGIBDA-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193497;MM193497;CC1=NC(C)C(=N)N1O;WDIXSTUIGOHSJV-UHFFFAOYSA-N;127.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193498;MM193498;CC1CN1CC(O)CF;UPKQOOSZAMGBOU-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193499;MM193499;CN1CC2CC2(O)C=N1;AACJLYHPMSYDQT-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193500;MM193500;C=CCC1CC(CF)C1;ONRTYMUZXDGNJV-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193501;MM193501;O=CCC1CC(CF)C1;BVBHBCOIIJAFCI-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193502;MM193502;N#CCC1CC(CF)C1;WITMMTSTLQPFOG-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193503;MM193503;C=CCC1CC(NC)C1;MRWYUZIOKUHOOK-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193504;MM193504;CNC1CC(CC=O)C1;XFBGNDMUJZKRMX-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193505;MM193505;CNC1CC(CC#N)C1;ASRVWKIJWGZNSD-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193506;MM193506;C=CCC1CC(OC)C1;DSMAPDJCDDIWQY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193507;MM193507;COC1CC(CC=O)C1;DWHJGDFQSJJUGO-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193508;MM193508;COC1CC(CC#N)C1;VZVPUOLFAKDVKA-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193509;MM193509;COc1[nH]nc(C)c1C;NYYJLMQZVZDIDI-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193510;MM193510;N=CNC1CC(CN)C1;HFFNLNRKGCRRQM-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193511;MM193511;NCC1CC(NC=O)C1;QOYZRJVDBJZNBC-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193512;MM193512;N=CNC1CC(CO)C1;XGBGJHSTNFEENP-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193513;MM193513;O=CNC1CC(CO)C1;AJLQNBKVXXFJMU-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193514;MM193514;N=CNC1CC(CF)C1;JUCRHLAMBNXYCU-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193515;MM193515;O=CNC1CC(CF)C1;GYNFQGGMKDHHOP-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193516;MM193516;C=NNC1CC(CC)C1;UPANFBHKHAICHI-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193517;MM193517;CN=C(CO)N(O)C=N;ZNOFYUYQHBMSLU-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193518;MM193518;C=NNC1CC(CF)C1;QTDDCBMWZWDEHL-UHFFFAOYSA-N;130.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193519;MM193519;CNC1CC(NC=N)C1;FDQXOBZNFJNNCN-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193520;MM193520;CNC1CC(NC=O)C1;FDKDAZCDLWHCMY-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193521;MM193521;C=NNC1CC(NC)C1;FLARYTRKVCAHAD-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193522;MM193522;COC1CC(NC=N)C1;QLDVRWNXDJRDRM-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193523;MM193523;C=COC1CC(CC)C1;XBLFPRIWJLAMPX-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193524;MM193524;C=COC1CC(CO)C1;GFZIBDXSVONOOY-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193525;MM193525;C=COC1CC(CF)C1;JELBCUZJRTYIDE-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193526;MM193526;C=NOC1CC(CF)C1;SYEYKTJXLBRKSB-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193527;MM193527;C=COC1CC(NC)C1;KMLVULZLWLYXNR-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193528;MM193528;C=NOC1CC(NC)C1;YCBPQKIKHPLIQD-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193529;MM193529;C=COC1CC(OC)C1;VEIUUUMZTPQQTL-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193530;MM193530;C=NOC1CC(OC)C1;VCNWWLYAGHJYDF-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193531;MM193531;C=CCC1CC(CC)N1;DCFNORCLJQPMKO-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193532;MM193532;CCC1CC(CC=O)N1;UKVPJNCQJSYRFR-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193533;MM193533;CCC1CC(CC#N)N1;BKEYPVMSRGULBN-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193534;MM193534;C=CCC1CC(CN)N1;ISFMOHLDCPSIBM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193535;MM193535;C=CCC1CC(CO)N1;FNBLFHYKTFVOHR-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193536;MM193536;O=CCC1CC(CO)N1;JDKIOMDSEIUODA-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193537;MM193537;C=CCC1CC(CF)N1;QWJVZYOSVJWZRI-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193538;MM193538;CCC1CC(CC=O)O1;NPHFRQLQDIRLAB-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193539;MM193539;CCC1CC(CC#N)O1;WDIVQJHFQJJILP-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193540;MM193540;C=CCC1CC(CN)O1;YIJNUGAJKGMZIR-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193541;MM193541;C=CCC1CC(CO)O1;MMNHALAATGQLHO-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193542;MM193542;N#CCC1CC(CO)O1;AJCQHHSTQMMPTI-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193543;MM193543;C=CCC1CN(CC)C1;ROOHASRWCMAAAB-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193544;MM193544;CCN1CC(NC=N)C1;JXLHLDOQXXKCDC-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193545;MM193545;C=NOC1CN(CC)C1;WSHNRFCRBTZNIL-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193546;MM193546;C=CCN1CC(CC)C1;KOTMNEYCZWYLHF-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193547;MM193547;CCC1CN(CC#N)C1;VXKLRRUZXHLNGN-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193548;MM193548;C=CCN1CC(CN)C1;IJVQBJPTYIJTOQ-UHFFFAOYSA-N;126.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193549;MM193549;C=NNCC1C(O)C1F;RJRDXIBCLKGACS-UHFFFAOYSA-N;132.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193550;MM193550;OC1C(F)C1CN1CC1;UKRGWBITCCPXMA-UHFFFAOYSA-N;131.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193551;MM193551;N#CCN1CC(CF)C1;XMEPCHDRNHMBPW-UHFFFAOYSA-N;128.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193552;MM193552;CNC1CN(CC=O)C1;XRDLHWOLAQWCCS-UHFFFAOYSA-N;128.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193553;MM193553;CNC1CN(CC#N)C1;WREYNHLCSAYHKH-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193554;MM193554;N=C(C(=O)CO)N1CC1;HYOZVUMWKFEWCV-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193555;MM193555;COC1CN(CC#N)C1;XBIRYNSQDLLVBB-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193556;MM193556;CCC1CN(NC=O)C1;AINPOHQFOAVSIA-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193557;MM193557;N=CNN1CC(CN)C1;YMPFQXHVHBMSSQ-UHFFFAOYSA-N;128.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193558;MM193558;NCC1CN(NC=O)C1;PBCNHSVBHFLXPM-UHFFFAOYSA-N;129.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193559;MM193559;N=CNN1CC(CO)C1;ZFOLLQPVZGBIPL-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193560;MM193560;O=CNN1CC(CO)C1;YABAHAMGISHHQN-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193561;MM193561;CNC1CN(NC=N)C1;ZFCPLEYRXKXBFI-UHFFFAOYSA-N;128.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193562;MM193562;COC1CN(NC=N)C1;DDTGTZLYLKOPCT-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193563;MM193563;C#CCC1CC(CC)C1;QJWGCVJAVFTHGM-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193564;MM193564;C#CCC1CC(CN)C1;KVQQHJSUWYUCNU-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193565;MM193565;C=NOCC#CC(C)(C)O;KLVQHPMOEBSWIE-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193566;MM193566;C#CCC1CC(CF)C1;YBKHMNZWUDQVFX-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193567;MM193567;C#CCC1CC(NC)C1;WNSRKMJCIVDZFK-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193568;MM193568;C#CCC1CC(OC)C1;NDQBAIQFULHVBS-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193569;MM193569;C#CCC1CC(CC)N1;HSCGDYNKELFVKN-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193570;MM193570;C#CCC1CC(CN)N1;QDWXVBHRCSGHSE-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193571;MM193571;C#CCC1CC(CO)N1;LBQNUALIWNOTKL-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193572;MM193572;C#CCC1CC(CF)N1;MRZANSNWSQLMGL-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193573;MM193573;C#CCC1CC(CC)O1;XHFBVVXSIAZHAW-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193574;MM193574;C#CCC1CC(CN)O1;GEICHBQKYIIOCE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193575;MM193575;C#CCC1CC(CO)O1;KGEKNTOLHZLKKN-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193576;MM193576;C#CCC1CC(CF)O1;JMINNVOOPAFYML-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193577;MM193577;C#CCC1CN(CC)C1;AJERNVBOBHHOCA-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193578;MM193578;C#CCN1CC(CN)C1;UIPKCXXHGXEJSR-UHFFFAOYSA-N;124.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193579;MM193579;C#CCN1CC(NC)C1;HRRDKRKUJGDBPA-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193580;MM193580;C#CCN1CC(OC)C1;JCKFALZEOLXADX-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193581;MM193581;C=CC1CC(CCC)C1;NTUMQFWKMOUUFS-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193582;MM193582;C=CC1CC(CCN)C1;GDOVPUCFVGTERE-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193583;MM193583;CCCC1CC(C=O)C1;DJHPLUFOMCUDEG-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193584;MM193584;CCCC1CC(C#N)C1;MNONWBNPSMGWIR-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193585;MM193585;C=CC1CC(CNC)C1;ONQMHCKCVALMEJ-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193586;MM193586;CNCC1CC(C=O)C1;COGHJIQLSJWSOK-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193587;MM193587;CNCC1CC(C#N)C1;NIMQCZDILUBRSN-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193588;MM193588;C=CC1CC(NCC)C1;VBXLQHZBNZBRIM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193589;MM193589;CCNC1CC(C=O)C1;MLNXDYCGVMGHGR-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193590;MM193590;CCNC1CC(C#N)C1;DMVCOUQESTVNFW-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193591;MM193591;C=CC1CC(OCC)C1;ODDWTESUBXOSHH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193592;MM193592;CCOC1CC(C=O)C1;UDNLSSZVXUVLEV-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193593;MM193593;CCOC1CC(C#N)C1;MTESHPOHZAOAOF-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193594;MM193594;C=CC1CC(CCN)N1;UJJYNPCGDWTBBC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193595;MM193595;CCCC1CC(C=O)N1;YYNFULRVWDPTSA-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193596;MM193596;CCCC1CC(C#N)N1;BROFRJZDAHXPEA-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193597;MM193597;CNCC1CC(C=O)N1;KMGHTPFKSMJEIS-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193598;MM193598;CNCC1CC(C#N)N1;GNMMSNJWKPXEKD-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193599;MM193599;C=CC1CC(CCC)O1;RERKCDXBABZLHN-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193600;MM193600;CCCC1CC(C#N)O1;ZSSLFEYFORKADD-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193601;MM193601;CNCC1CC(C#N)O1;WNIZPAWIXAGDCZ-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193602;MM193602;CCCC1CN(C=O)C1;VXWQTTJDYYQJED-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193603;MM193603;NCCC1CN(C=O)C1;QXAKKOMBIMUOHY-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193604;MM193604;O=CN1CC(CCO)C1;BMBCTZAYWPFMIO-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193605;MM193605;C=NN1CC(CCN)C1;VBFJYJMYMQEXBH-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193606;MM193606;CCNC1CN(C=N)C1;NSZOGCFQHKTLJD-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193607;MM193607;CCNC1CN(C=O)C1;YPOBGVVERCFLDW-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193608;MM193608;CCOC1CN(C=N)C1;ZRSDQBIMXZVGJZ-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193609;MM193609;CCOC1CN(C=O)C1;QKQNYEISKNLLTC-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193610;MM193610;C=NN1CC(OCC)C1;BQYJNAOWGBQWGM-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193611;MM193611;C=CC1CN(CCC)C1;LGSZFRZYRDQNFZ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193612;MM193612;C=CC1CN(CCN)C1;OAJBCXPPKWMIFL-UHFFFAOYSA-N;126.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193613;MM193613;CCCN1CC(C#N)C1;HTAJILMETPCPKY-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193614;MM193614;C=CCC1CC(C=C)C1;IEQPCZKLNZNUIR-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193615;MM193615;C=CC1CC(CC=O)C1;BDJBURRLZZLIRG-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193616;MM193616;C=CC1CC(CC#N)C1;WDGLBVOTKNHHGK-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193617;MM193617;C=CCC1CC(C=O)C1;ULJUHLZMFRKRQA-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193618;MM193618;C=CCC1CC(C#N)C1;MIVFYHSLBSCNRL-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193619;MM193619;N#CCC1CC(C=O)C1;LPWZNJFJKFSYKI-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193620;MM193620;N#CCC1CC(C#N)C1;YQOHYYSYQZODPZ-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193621;MM193621;C=CC1CC(NC=N)C1;LADOARRASGYSAJ-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193622;MM193622;COC(C)=CC(O)C=NN;LXSPKOMPSZLMLW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193623;MM193623;O=CNC1CC(C=O)C1;AJYUOUZCXUZGJW-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193624;MM193624;N#CC1CC(NC=O)C1;QILZYIIXLFKRKE-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193625;MM193625;C=CC1CC(NN=C)C1;HYSUQACVRAGPRG-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193626;MM193626;C=COC1CC(C=C)C1;BJNLNCRGQQOVPB-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193627;MM193627;C=CC1CC(OC=O)C1;GZPNZKSDMQTISW-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193628;MM193628;C=COC1CC(C=O)C1;URTRZFQTFVSGQV-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193629;MM193629;C=COC1CC(C#N)C1;CTPUNHLTKYCXCH-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193630;MM193630;C=CC1CC(ON=C)C1;ILBCMAOHZUZWML-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193631;MM193631;C=NOC1CC(C#N)C1;BJYMNPPJJVGFRM-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193632;MM193632;C=CCC1CC(C=C)N1;CDTQXWNPEJLSEN-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193633;MM193633;C=CC1CC(CC=O)N1;BOJRYXPPUHXLQY-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193634;MM193634;C=CCC1CC(C#N)N1;QZSYZDGSYZMMNK-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193635;MM193635;C=CC1CC(CC#N)O1;XUFSHTYSVRNQJQ-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193636;MM193636;C=CCC1CC(C=O)O1;JZPJRWZDBQUDPR-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193637;MM193637;N#CCC1CC(C=O)O1;BRTVFGYMUHPIOY-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193638;MM193638;N#CC1CC(CC=O)O1;SVSSEVOMVREFFH-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193639;MM193639;N#CCC1CC(C#N)O1;URBHHCWCPJYCGT-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193640;MM193640;N=CN1CC(CC=O)C1;WCTZVSFUJIVZSZ-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193641;MM193641;N#CCC1CN(C=N)C1;YXZVVWJDEBCZRE-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193642;MM193642;C=CCC1CN(C=O)C1;LSJJMVJDMGWPNO-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193643;MM193643;N#CCC1CN(C=O)C1;UWSBKFKSEAUAQG-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193644;MM193644;CN=CN(O)C=C(F)CO;JUWHQORNFMOFSS-UHFFFAOYSA-N;148.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193645;MM193645;N=CN1CC(NC=O)C1;YZEJRIHUPLDUMM-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193646;MM193646;O=CNC1CN(C=O)C1;KLSBLPNINKVBIL-UHFFFAOYSA-N;128.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193647;MM193647;C=NNC1CN(C=N)C1;NXMIALLZVKOPBX-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193648;MM193648;C=COC1CN(C=N)C1;XLTYDEAFRDDKLC-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193649;MM193649;N=CN1CC(OC=O)C1;DRSZCDPIXCMKLJ-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193650;MM193650;C=COC1CN(C=O)C1;PKXZZRLDHWFAEQ-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193651;MM193651;O=COC1CN(C=O)C1;QHFJMOYDEPYXNX-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193652;MM193652;C=NOC1CN(C=N)C1;XJIWZBDWQGALKT-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193653;MM193653;C=NOC1CN(C=O)C1;BWCZVFXWJNDFGV-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193654;MM193654;C=COC1CN(N=C)C1;DBXNXUCADWXBNS-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193655;MM193655;C=NN1CC(OC=O)C1;WBIPKZDKOOKYGO-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193656;MM193656;C=NOC1CN(N=C)C1;BLUWYEDFVANHAF-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193657;MM193657;C=CCN1CC(C=C)C1;IJBWXEVJMAITHF-UHFFFAOYSA-N;123.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193658;MM193658;C=CCN1CC(C#N)C1;HJGMMARDUACJGW-UHFFFAOYSA-N;122.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193659;MM193659;N#CCN1CC(C#N)C1;RODFYSYTWMQQCX-UHFFFAOYSA-N;121.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193660;MM193660;C=CC1CN(NC=N)C1;LKJZWPZZYBOYCW-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193661;MM193661;C=CC1CN(NC=O)C1;PXISQYOMISHZQL-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193662;MM193662;N#CC1CN(NC=N)C1;JZKZBNDRKAZBEG-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193663;MM193663;O=CNN1CC(C=O)C1;DXRMWAVSYZAHTN-UHFFFAOYSA-N;128.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193664;MM193664;N#CC1CN(NC=O)C1;SGMYNLHHIYOMGX-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193665;MM193665;C#CCC1CC(C=C)C1;IRWFOBJNMLTGEU-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193666;MM193666;C#CCC1CC(C=O)C1;MUNDXZIJGKIDIJ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193667;MM193667;C#CCC1CC(C#N)C1;AFMGMYAEQAWZRP-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193668;MM193668;C#CCC1CC(C=C)N1;CVGBUQFYPHFDAH-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193669;MM193669;C#CCC1CC(C=C)O1;JTLGRRHGVNVIIQ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193670;MM193670;C#CCC1CC(C=O)O1;LENUALWZNXNDJR-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193671;MM193671;C#CCC1CC(C#N)O1;LUWYGRACRGXXTH-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193672;MM193672;C#CCC1CN(C=N)C1;VPJHNYXOTQJPMD-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193673;MM193673;C#CCC1CN(C=O)C1;ILOJWEXEWKSBQL-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193674;MM193674;C#CCC1CN(N=C)C1;KPVOOXRFUYKGDP-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193675;MM193675;C#CCN1CC(C#N)C1;ORLFYDHPBHKWTL-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193676;MM193676;C#CC1CC(CCC)C1;KGEBIYMMJZKLLX-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193677;MM193677;C#CC1CC(CCN)C1;GBJUVXCHGIGDHO-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193678;MM193678;C#CC1CC(CNC)C1;HDUIXAWDFQRADC-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193679;MM193679;C#CC1CC(NCC)C1;CRAIYIXYUTVZJR-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193680;MM193680;C#CC1CC(OCC)C1;YYYRPPMURQVYGN-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193681;MM193681;C#CC1CC(CCN)N1;DUXKILLAJXWILM-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193682;MM193682;C#CC1CC(CNC)N1;PSWSEYOEKCLUJE-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193683;MM193683;C#CC1CC(CCC)O1;SEHCNIAGYXZFRF-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193684;MM193684;C#CC1CC(CCN)O1;GMDFHFZZFUMEOQ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193685;MM193685;C#CC1CN(CCC)C1;GWTWSNZLMQSSKC-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193686;MM193686;C#CC1CN(CCN)C1;ICBBBDMSMYZNLC-UHFFFAOYSA-N;124.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193687;MM193687;C#CC1CC(CC=C)C1;IUHOOHHVPKKWJN-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193688;MM193688;C#CC1CC(CC#N)C1;XRMWUDLOAYSHDI-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193689;MM193689;C#CC1CC(NC=N)C1;LKKUKBCKDFQZLH-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193690;MM193690;CON=C(CC(N)=O)OC;AHTZAEGDAWEQMH-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193691;MM193691;C#CC1CC(NN=C)C1;KDAIOASVNFDWFE-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193692;MM193692;C#CC1CC(OC=C)C1;FXYIDVCGKSWGDP-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193693;MM193693;C#CC1CC(OC=O)C1;NGRZOCXVYPJGLG-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193694;MM193694;C#CC1CC(CC=C)N1;ALCZLFMKFHNURC-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193695;MM193695;C#CC1CC(CC=C)O1;HFRGUZKSNWPOIV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193696;MM193696;C#CC1CC(CC#N)O1;WTNNMGSFRNEBHJ-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193697;MM193697;CC1CN1CC(C)(O)CO;IJMPGBAJUPYFOM-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193698;MM193698;C#CC1CN(CC#N)C1;ZJHONJPXVLZAGA-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193699;MM193699;C#CC1CN(NC=N)C1;SAIRHHFUUGONDO-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193700;MM193700;C#CC1CN(NC=O)C1;WKEXHCSPBUTQTP-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193701;MM193701;C#CCC1CC(C#C)C1;ZLJGEKZGZOYCCS-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193702;MM193702;C#CCC1CC(C#C)O1;ZJNHGGTZDPEZJY-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193703;MM193703;CC=CC1CC(CC)C1;QHWRHESGKKDUAJ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193704;MM193704;CCC1CC(C=CF)C1;LJJKJKFIVDRFAT-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193705;MM193705;CC=CC1CC(CN)C1;RUMTULHDMHWVFZ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193706;MM193706;C#CC=CC=NOC(N)=O;OCQDTUPBZNWNIX-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193707;MM193707;CC=CC1CC(CF)C1;NEHCGVAJRDBIFS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193708;MM193708;CCC1CC(C=NO)C1;VUHMNBKONMRNRD-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193709;MM193709;C=C(NC=O)C(N)=CC#N;PTZUCUPWQQTJFU-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193710;MM193710;ON=CC1CC(CF)C1;VZCLKRZKBRLJES-UHFFFAOYSA-N;131.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193711;MM193711;CC=CC1CC(NC)C1;HDLOADCHCZYOTE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193712;MM193712;CNC1CC(C=NN)C1;FEWWFLJDRIVWBM-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193713;MM193713;CNC1CC(C=NO)C1;NYYBLOATPDBAGD-UHFFFAOYSA-N;128.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193714;MM193714;CC=CC1CC(OC)C1;YRKYPCSGEUITEE-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193715;MM193715;CC=CC1CC(CC)N1;CNNJYTGZAOFDNC-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193716;MM193716;CC=CC1CC(CN)N1;LGBLOFBDXVKWET-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193717;MM193717;CC=CC1CC(CO)N1;PLGFTBJWJPGXEV-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193718;MM193718;CC=CC1CC(CF)N1;YYVASKSEHANOTR-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193719;MM193719;CC=CC1CC(CC)O1;HJAJEAYFUQMTCQ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193720;MM193720;CC=CC1CC(CN)O1;DEZCYNUUVJCSSV-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193721;MM193721;CC=CC1CC(CO)O1;QLSNENBEIIRKRT-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193722;MM193722;CC=CC1CC(CF)O1;GAWCCCJNBQMOFF-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193723;MM193723;CC=CC1CN(CC)C1;ZNEQOWAVBDFOKQ-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193724;MM193724;CCC1CN(C=NC)C1;CSFVUUABXBTUPZ-UHFFFAOYSA-N;126.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193725;MM193725;CCC1CN(C=NN)C1;MAHWNYHICOICHS-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193726;MM193726;CN=CN1CC(CN)C1;QSGQCDMRMJZGSS-UHFFFAOYSA-N;127.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193727;MM193727;CN=CN1CC(CO)C1;RPPJDNBWRDZNQD-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193728;MM193728;CN=CN1CC(CF)C1;NYAMPZAIEFFFBV-UHFFFAOYSA-N;130.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193729;MM193729;CN=CN1CC(NC)C1;PBVMOHUIYHXSOJ-UHFFFAOYSA-N;127.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193730;MM193730;CN=CN1CC(OC)C1;GJPQEVDOHMDWSO-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193731;MM193731;CC=NN1CC(CC)C1;AZEQYYPVVXFMSC-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193732;MM193732;CC=NN1CC(CN)C1;HJXVIVPSBGTVQQ-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193733;MM193733;CC=NOCC1(F)CC1O;FXENQTMIXPJBOB-UHFFFAOYSA-N;147.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193734;MM193734;CC=NN1CC(CF)C1;QWFCJAGLUKYRAQ-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193735;MM193735;CC=NN1CC(OC)C1;CQYQMOCPIYYPLG-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193736;MM193736;C=CC1CC(C=CC)C1;OBDLJGWTNFAJIS-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193737;MM193737;CC=CC1CC(C=O)C1;RNDKETUBENDZDD-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193738;MM193738;CC=CC1CC(C#N)C1;LKZCCJNNBAUVON-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193739;MM193739;C=CC1CC(C=NN)C1;DVDDXIXERHWIHE-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193740;MM193740;C=CC1CC(C=CC)N1;OFOKXJUZNBEGGR-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193741;MM193741;CC=CC1CC(C#N)N1;FEUNXSONJYERII-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193742;MM193742;C=CC1CC(C=CC)O1;PWRYPRFCGUQTHS-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193743;MM193743;CC=CC1CC(C=O)O1;ICPPPMPISWCVKW-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193744;MM193744;CC=CC1CC(C#N)O1;OLIMKTCJVGHSEG-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193745;MM193745;CC=CC1CN(C=N)C1;MEMSJGYZXPXLTQ-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193746;MM193746;CC=CC1CN(C=O)C1;DIEFCFKCJVJYJA-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193747;MM193747;N=CN1CC(C=NO)C1;GNQXJVLJIDRREB-UHFFFAOYSA-N;127.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193748;MM193748;C=NN1CC(C=CC)C1;BQTIJJWVYUTEGG-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193749;MM193749;C=NN1CC(C=NO)C1;JUAZKWYKRRZRHI-UHFFFAOYSA-N;127.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193750;MM193750;C=CC1CN(C=NC)C1;BXYSJLANVHCPSU-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193751;MM193751;CN=CN1CC(C=O)C1;XJDZBWAUVPCCSY-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193752;MM193752;CN=CN1CC(C#N)C1;RYIOLFDYILIDAU-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193753;MM193753;C=CC1CN(N=CC)C1;GHWFPHQYZIWBKK-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193754;MM193754;Cc1nc(=N)nc(C)n1O;QTMKXBNGMFBAEB-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193755;MM193755;CC=NN1CC(C#N)C1;BXUUREKOHPPADW-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193756;MM193756;C#CC1CC(C=CC)C1;YWHCGMNKVZUFDK-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193757;MM193757;C#CC1CC(C=NN)C1;DQSBMRRCZRNASK-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193758;MM193758;C#CC1CC(C=CC)N1;AWGZWNJTUFKYKK-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193759;MM193759;C#CC1CC(C=CC)O1;SCMGLEOZQZBDII-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193760;MM193760;C#CC1CN(C=NC)C1;BNJKMHOHEUPQMF-UHFFFAOYSA-N;122.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193761;MM193761;C#CC1CN(N=CC)C1;JAEYRPIUTOSGQA-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193762;MM193762;CC#CC1CC(CC)C1;YIZHZQSQGDGPMW-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193763;MM193763;CC#CC1CC(CN)C1;YBNGVRZIUCKOAB-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193764;MM193764;N=C(NN)C(F)(CO)CF;ARMOHXSQRBUREV-UHFFFAOYSA-N;153.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193765;MM193765;CC#CC1CC(CF)C1;CNOJYQRHDIXWEV-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193766;MM193766;CC#CC1CC(NC)C1;JWVFTZGDBKVNKD-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193767;MM193767;CC#CC1CC(OC)C1;AQLYRZYHAZFBRP-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193768;MM193768;CC#CC1CC(CC)N1;KULDAYXJYUEHRM-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193769;MM193769;CC#CC1CC(CN)N1;MKFMAFNGJUFSPS-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193770;MM193770;CC#CC1CC(CO)N1;RLQSPXJZCHOAAU-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193771;MM193771;CC#CC1CC(CC)O1;NDLNYPKQLBIOCS-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193772;MM193772;CC#CC1CC(CN)O1;KWGDWIARPOONKU-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193773;MM193773;CC#CC1CC(CO)O1;CTXVFAQFUOVLBP-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193774;MM193774;CC#CC1CC(CF)O1;SURJTSRQVDUCKA-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193775;MM193775;C=CC1CC(C#CC)C1;NBQFLSWRXNIQIH-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193776;MM193776;CC#CC1CC(C=O)C1;JYIMFSYYWAEXLO-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193777;MM193777;CC#CC1CC(C#N)C1;LIMZXOGQYFGZFI-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193778;MM193778;C=CC1CC(C#CC)N1;DJXUUYJJTMTLHB-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193779;MM193779;CC#CC1CC(C#N)N1;PETVHYDCHYKEFD-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193780;MM193780;C=CC1CC(C#CC)O1;XALRFOSZAOTLTG-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193781;MM193781;CC#CC1CC(C=O)O1;ZGHOLPQACGBPCS-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193782;MM193782;CC#CC1CC(C#N)O1;TXQISVYIIXVBRK-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193783;MM193783;CC#CC1CN(C=N)C1;IYNVCKGSQBJPDE-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193784;MM193784;CC#CC1CN(C=O)C1;RADOCCZQUHZHJA-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193785;MM193785;C=NN1CC(C#CC)C1;PNODRUNNVWNARK-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193786;MM193786;C#CC1CC(C#CC)C1;MMKJOFMIGWBMFC-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193787;MM193787;C#CC1CC(C#CC)O1;VZEALPRUUAPRSW-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193788;MM193788;CC(N)CCCC1CC1;VWKWLQZOSWQCPD-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193789;MM193789;CC(C)CNCC1CC1;HCLAKJJHNUOCRL-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193790;MM193790;CC(C)NCCC1CC1;BTOWKIJEJVVLOM-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193791;MM193791;CN(C)CCCC1CC1;SVSKZIVLHGJWAI-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193792;MM193792;CC(N)CCCC1CN1;MAYGBLAFWRPSHQ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193793;MM193793;CC(C)NCCC1CN1;WYSRROFIHKDDOM-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193794;MM193794;CN(C)CCCC1CN1;IWKXTKZIZOGRSS-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193795;MM193795;NC(=O)OCCC1CC1;WSIYJNBVAYATBJ-UHFFFAOYSA-N;129.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193796;MM193796;N=C(N)OCCN1CC1;PRMWCSGLKGSQBQ-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193797;MM193797;CC(C)C=NNC1CC1;ULEAOKFMEBVARW-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193798;MM193798;CCC1(O)COC(=NN)C1;ZPAQHSPMLUKHNB-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193799;MM193799;CC(=O)NC=NC1CC1;BYGANJRMZWKCHT-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193800;MM193800;CCC(O)C(=N)N(C)C=O;FIGRGUKJBMGKDA-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193801;MM193801;CC(C)C#CCC1CC1;OFVFILMBDBDZDA-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193802;MM193802;CC(N)C#CCC1CC1;RTUGUHJQIFWHIO-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193803;MM193803;CC(F)C#CCC1CC1;CHIFDAQIAHALAC-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193804;MM193804;FC(F)C#CCC1CC1;MHEGRZNPHOOIOP-UHFFFAOYSA-N;130.14;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193805;MM193805;CC(N)C#CCC1CN1;VXBLNFUSHGKSQW-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193806;MM193806;CC(C)C#CCC1CO1;BMNYAEICESETST-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193807;MM193807;CC(F)C#CCC1CO1;BALICRKFAFLKJT-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193808;MM193808;FC(F)C#CCC1CO1;WGZKBFHDWDDPML-UHFFFAOYSA-N;132.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193809;MM193809;CC(C)C#CCN1CC1;UANISFFLPVFHNG-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193810;MM193810;CC(N)C#CCN1CC1;OPXYDRLSUWRQBK-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193811;MM193811;C#CC=CC(O)C=NOC;KXOBJILJVMFKIU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193812;MM193812;CC(F)C#CCN1CC1;KDTAQAWNGOVXMW-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193813;MM193813;NC(=NCC=O)C(=O)CO;RAVIPYVURMSXGA-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193814;MM193814;C=C(C)C#CCC1CC1;NGCNRJDTVAKNRS-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193815;MM193815;CC(=O)C#CCC1CC1;CRNGZKQXWNKMPL-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193816;MM193816;N=C(N)C#CCC1CC1;QZDQLBQOSVMHTH-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193817;MM193817;NC(=O)C#CCC1CC1;UWJVFNFLDYEPOR-UHFFFAOYSA-N;123.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193818;MM193818;O=C(O)C#CCC1CC1;FVKOLNVCRALDMU-UHFFFAOYSA-N;124.14;0.87;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193819;MM193819;C=C(F)C#CCC1CC1;WUZSVKPGGFRTSB-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193820;MM193820;N=C(N)C#CCC1CN1;MBIIZJNVULYTQN-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193821;MM193821;C=C(C)C#CCC1CO1;PSSJKUUNAVGVCV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193822;MM193822;CC(=O)C#CCC1CO1;OSKVTRFJJSCVBF-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193823;MM193823;NC(=O)C#CCC1CO1;NMYGTGXPSZATCY-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193824;MM193824;COCC#CC(C#N)C#N;FDVRCDOWYLLJKP-UHFFFAOYSA-N;134.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193825;MM193825;C=C(C)C#CCN1CC1;QFPVTWFAVBCALC-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193826;MM193826;C#CCN=C(N)C(=O)CO;OKXVYQWJWBNINS-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193827;MM193827;N=C(N)C#CCN1CC1;BDLMOOMGDNZZNL-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193828;MM193828;O=C(CO)CON=CNO;TYSMANJWPLBIGK-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193829;MM193829;Cc1cn(O)c(O)nc1=O;BJBKGFYROXFNKL-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193830;MM193830;CC(C)CN=CN1CC1;DEDREQUKGMBEIH-UHFFFAOYSA-N;126.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193831;MM193831;CC(C)CC=NN1CC1;LYWMENVHPVCALC-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193832;MM193832;NC(=O)NC=CC1CC1;JOGKBVPHSULOMC-UHFFFAOYSA-N;126.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193833;MM193833;CC(=O)NN=CC1CC1;NHGGJZPABRVKNN-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193834;MM193834;NC(=O)NC=CC1CO1;VGIVEHYHJQLFMV-UHFFFAOYSA-N;128.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193835;MM193835;C=C(C)OC=CC1CO1;NCGVCCXVMFARJN-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193836;MM193836;CC(=O)OC=CC1CO1;CLXZDLYASDHXMS-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193837;MM193837;CC(=O)ON=CN1CC1;URZXUYPYPYCXJI-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193838;MM193838;CC(C)CC#CC1CC1;NILVQAIITCVERO-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193839;MM193839;CC(N)CC#CC1CC1;MDENJTSWJJQVKF-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193840;MM193840;C=NOC(CF)C(=O)CO;QRQRXCMKTCNHGB-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193841;MM193841;CC(C)CC#CC1CN1;GQOKZYGXXNOVPM-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193842;MM193842;C=C(C)CC#CC1CC1;JOTJDTWDZXMMET-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193843;MM193843;C=C(C)CC#CC1CN1;XRYPHMLCEIALNQ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193844;MM193844;CC(C)=CC=CC1CC1;KUEDRZJLASEMGS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193845;MM193845;CC(C)=CC=CC1CO1;XTJUWTCLJZPLOB-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193846;MM193846;FC(F)=CC=CC1CO1;HLOBJXNOORFMCY-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193847;MM193847;CC(C)=CC#CC1CC1;SQUIBNDSEAUPDG-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193848;MM193848;CC(C)=CC#CC1CN1;WNTQTNKWWNYDDW-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193849;MM193849;CC(C)=CC#CC1CO1;MZPRWNPIUDIDKM-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193850;MM193850;CCCC(C)CC1CC1;XRPZXGACAPFDAC-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193851;MM193851;CC(CCN)CC1CC1;JOKXHAPISDNHLJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193852;MM193852;CCN=C(NC)C(=O)CO;NKJMSDMFCIVJLD-UHFFFAOYSA-N;144.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193853;MM193853;CCCC(N)CC1CC1;YOTFGJDGSVTDCS-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193854;MM193854;NCCC(N)CC1CC1;WCWHDZUPTFKPLV-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193855;MM193855;C=CNC(=NC)C(=O)CO;QPZOLCCQDBFQTC-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193856;MM193856;NCCC(O)CC1CC1;YUCXXYOIIQHUHA-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193857;MM193857;CCCC(F)CC1CC1;OQTDSSVJOZJXMO-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193858;MM193858;CNCC(N)CC1CC1;HVYRJQZSARKOKX-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193859;MM193859;CCCC(C)NC1CC1;REMPMHLNCTVJCL-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193860;MM193860;CNCC(C)NC1CC1;SQIPSRNUGPSPMV-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193861;MM193861;CCCC(C)OC1CC1;IHTPUCDCYYHARF-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193862;MM193862;CNCC(C)OC1CC1;VJVGUOWUJCPYRV-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193863;MM193863;CN(CCN)CC1CC1;RJHPGTAUBDVAPJ-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193864;MM193864;CC(CCN)CC1CN1;MCIMZWDRIVFZOF-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193865;MM193865;CCCC(N)CC1CN1;TZQFUWIQHGQFNH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193866;MM193866;NCCC(N)CC1CN1;FSGIZHVWOKPBOM-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193867;MM193867;CNCC(C)CC1CN1;RGPYSVPFBISYOR-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193868;MM193868;CCCN(C)CC1CN1;JTWGNMVOGUDUMZ-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193869;MM193869;CN(CCN)CC1CN1;SPDJFMQKQZAZPI-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193870;MM193870;CCCC(C)CC1CO1;ILRVDGBLAUXESJ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193871;MM193871;CCCC(N)CC1CO1;JYOBOYUJMMGMPA-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193872;MM193872;CCCC(F)CC1CO1;UDKCJTVPHHGPNV-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193873;MM193873;CNCC(C)CC1CO1;SZUXGWIKRKPUPJ-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193874;MM193874;CCNC(C)CC1CO1;NJXDQIMNQJHHKQ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193875;MM193875;CCCN(C)CC1CO1;YHAGPUPVHLYJTL-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193876;MM193876;CCCC(N)CN1CC1;CSTTZNVQUXMATM-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193877;MM193877;CCNC(C)CN1CC1;ZKWXOHQRTMMFNM-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193878;MM193878;C=CCC(C)CC1CC1;HBOTYUHWZSMUMF-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193879;MM193879;CC(CC=O)CC1CC1;SXPBWEHRPNCGKX-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193880;MM193880;CC(CC#N)CC1CC1;UMRFUPQZNGUHPO-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193881;MM193881;C=CCC(N)CC1CC1;OLGSATMNPPHXMV-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193882;MM193882;C=CCC(F)CC1CC1;IGCKOPKDOPZAAQ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193883;MM193883;CC(CC1CC1)NC=N;AFYMZIRGTRRLQU-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193884;MM193884;CCN=C(CO)N(O)C=N;KQIKAZNFABRZIS-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193885;MM193885;C=COC(C)CC1CC1;WBGQARANONLCKI-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193886;MM193886;C=CCC(C)NC1CC1;USWLTTCGLHUHFW-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193887;MM193887;CC(CC#N)OC1CC1;FCDYMEHJZYWVSE-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193888;MM193888;C=CCN(C)CC1CC1;QMFMNRXKJZXUQC-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193889;MM193889;C=CCC(N)CC1CN1;DSNYDLBUUDMDIM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193890;MM193890;N#CCC(O)CC1CO1;OZOANLPHVIOENW-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193891;MM193891;N#CCC(F)CC1CO1;PYQSFMZDIKRFEC-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193892;MM193892;CON=C(C#CCO)NO;XTRLPQPILXDOQH-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193893;MM193893;C=NOC(C)CC1CO1;IHEIBFKBAGITGZ-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193894;MM193894;CN(CC1CO1)NC=O;HETUUBNVKHHKGK-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193895;MM193895;CC(CC#N)CN1CC1;OMFDNMIKSSSSEM-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193896;MM193896;CC1C(C)N1CC(O)CF;SINBUQJWDUBYBY-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193897;MM193897;N#CCC(F)CN1CC1;GNFIHCFMKLIWMR-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193898;MM193898;CC(CN1CC1)NC=N;LHPPFQWTAWZWEL-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193899;MM193899;C#CCC(C)CC1CC1;AUDPAGANADTXJG-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193900;MM193900;C#CCC(N)CC1CC1;VQIYFPQYTDFJGF-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193901;MM193901;C#CCC(F)CC1CC1;QXURMPQKGNIAMI-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193902;MM193902;C#CCC(C)NC1CC1;QTKPOVRDIVKERD-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193903;MM193903;C#CCC(C)OC1CC1;XMRALJHSEZICTC-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193904;MM193904;C#CCC(N)CC1CN1;JCUFZRRHAVSWNV-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193905;MM193905;C#CCC(N)CC1CO1;DGFBPMLBJQWOLE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193906;MM193906;NN(C=O)CC1C(O)C1F;DFPXGWVOLKOFOW-UHFFFAOYSA-N;148.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193907;MM193907;C#CCC(F)CN1CC1;GOGQDOYHNLVARA-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193908;MM193908;C=C(CCC)CC1CC1;OVIHNXFYDQMWEG-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193909;MM193909;C=C(CCN)CC1CC1;IUVXLYQZAXRTRZ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193910;MM193910;C#CC#Cc1c[nH]c(C)n1;KODXDVZHNARELZ-UHFFFAOYSA-N;130.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193911;MM193911;CCCC(=O)CC1CC1;WHYWNHNHEIZCEJ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193912;MM193912;C=C(CNC)CC1CC1;QRPWIOCQKGJUDK-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193913;MM193913;CCNC(=N)CC1CC1;DXYPHWHTXQCKTD-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193914;MM193914;CN1C2CC(O)(CO)CC21;KZVGJZVEWMKFQH-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193915;MM193915;C#CC(=NC)N(O)C=NC;FISPFZGDFHDFNO-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193916;MM193916;NCCC(=O)NC1CC1;VNXLQEAPCWDKFV-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193917;MM193917;CCNC(=O)NC1CC1;KFLAAHKAKSBCAL-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193918;MM193918;CCOC(=N)NC1CC1;MIEUMLRFMBXWJB-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193919;MM193919;C=C(CCC)OC1CC1;XMSCDDPYGTYCTN-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193920;MM193920;C=C(CNC)CC1CN1;WUOLNQYNHLCQHW-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193921;MM193921;CCNC(=N)CC1CN1;QNTGJASYVFIORN-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193922;MM193922;C=C(CCC)CC1CO1;FTHXMQWTCYZBBH-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193923;MM193923;C=C(CCN)CC1CO1;ZUJOHCMVIJUCSN-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193924;MM193924;CCN1CC2CC2(O)C=N1;ITFOEPAZHIKBOX-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193925;MM193925;CCCC(=O)CC1CO1;JNGWTUORRLMMCN-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193926;MM193926;C=C(CNC)CC1CO1;DATIXOMPKLXGCN-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193927;MM193927;CCNC(=O)CC1CO1;JVKIOEZITNDASA-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193928;MM193928;C=C(CCC)CN1CC1;QVPAOCDALNZZCR-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193929;MM193929;N=CN1CC2CC2(O)C=N1;QEABBAZSFYHWHH-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193930;MM193930;CCCC(=O)CN1CC1;GJGAEJVLQVKUNR-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193931;MM193931;C=C(CNC)CN1CC1;OGOAFWUTHGKKOW-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193932;MM193932;CCCC(=N)NN1CC1;YDBZSODQCGWORM-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193933;MM193933;N=C(CCN)NN1CC1;OXGYCSPWKFUSMO-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193934;MM193934;C=CCC(=C)CC1CC1;PXQZEDDILBJRIF-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193935;MM193935;C=C(CC=O)CC1CC1;JVHXTMSVFHYQRJ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193936;MM193936;C=C(CC#N)CC1CC1;XXJJGAWMYAGFIH-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193937;MM193937;C=CCC(=O)CC1CC1;DCIGIKYGLMISRJ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193938;MM193938;N#CCC(=O)CC1CC1;ROMUGNYSBLAWAK-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193939;MM193939;C=C(CC1CC1)NC=N;RJOBYOIOSVLAQL-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193940;MM193940;C=C(CC1CC1)NC=O;WQKBZKGZOZFYBP-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193941;MM193941;C=CNC(=N)CC1CC1;XSGXRNNZKUFEBQ-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193942;MM193942;C=COC(=C)CC1CC1;YHZIQQUUAVNFOQ-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193943;MM193943;C=COC(=O)CC1CC1;ARESSEMFYKAWDP-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193944;MM193944;N#CCC(=N)NC1CC1;UPYPTDCETFRMPZ-UHFFFAOYSA-N;123.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193945;MM193945;Cc1nccc(=NN)n1O;KDBTVRIKVFGMJO-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193946;MM193946;C=CCC(=C)OC1CC1;OXQOQQFOSOBXNG-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193947;MM193947;C=C(CC#N)OC1CC1;GMISHBJODADKNN-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193948;MM193948;C=CCC(=O)OC1CC1;NYISJJMFOKMDFD-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193949;MM193949;C=C(NC=N)OC1CC1;KIHHCDXBMVEPSF-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193950;MM193950;C=CNC(=N)OC1CC1;PJDXFTPZWVJDTE-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193951;MM193951;C=CNC(=O)OC1CC1;VWKLCEDRJLXDQO-UHFFFAOYSA-N;127.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193952;MM193952;N=CNC(=O)OC1CC1;RWZXCUIZFNJYEA-UHFFFAOYSA-N;128.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193953;MM193953;C=C(CC1CN1)NC=N;JYAJOLZCBPVONM-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193954;MM193954;C=CNC(=N)CC1CN1;QTUPPJFVXCHVLP-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193955;MM193955;C=CCC(=C)CC1CO1;KVAPIHOHARZLEO-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193956;MM193956;C=C(CC=O)CC1CO1;CIRGORNQMOMDDX-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193957;MM193957;C=C(CC#N)CC1CO1;ZESWQWGZYBFMEA-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193958;MM193958;C=CCC(=O)CC1CO1;LKVSTZNKCIRNTR-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193959;MM193959;C=C(CC1CO1)NC=N;SSTAFDVWGNNKJP-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193960;MM193960;C=CNC(=N)CC1CO1;ZBUDFEBYVDMBMY-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193961;MM193961;C=CNC(=O)CC1CO1;GSZCDAYNNAKMNK-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193962;MM193962;C=C(CC1CO1)OC=O;COIRUFAHOQZFCB-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193963;MM193963;C=COC(=O)CC1CO1;KUFDXPSHFLLKOI-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193964;MM193964;C=NOC(=O)CC1CO1;USEYGPNSRPWULG-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193965;MM193965;C=CCC(=C)CN1CC1;ICXYGXWDDJKRHE-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193966;MM193966;C=Cc1nnc(CO)n1C;RHYVMSFGNHMNLB-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193967;MM193967;C=C(CC#N)CN1CC1;NMPQZGRKQDISHS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193968;MM193968;C=NOCC(=O)CO;WKPHROKLKQQESF-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193969;MM193969;C=C(CN1CC1)NC=N;OXSZCYXPXQNRIR-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193970;MM193970;C=CNC(=N)CN1CC1;XHBYBTUWIHYVSO-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193971;MM193971;C=NOC(C#N)CO;FRIBZBMOJRYDBA-UHFFFAOYSA-N;114.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193972;MM193972;C=NOC1C(O)C1(C)C;RXCYDTPQNNSMDC-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193973;MM193973;CC(F)C(O)CC=NN;WJZHRIXYZSHOOQ-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193974;MM193974;C=COC(=C)CN1CC1;ZIHHOFBDPYMXKO-UHFFFAOYSA-N;125.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193975;MM193975;C=CCC(=O)NN1CC1;ZCPBQEBHTPVZBW-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193976;MM193976;NN=CC=C(F)C(N)=O;NEHBCCBTMYFFBK-UHFFFAOYSA-N;131.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193977;MM193977;C#CCC(=C)CC1CC1;DZEZQNCVBONBMC-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193978;MM193978;C#CCC(=O)CC1CC1;DDHGFDIIMYVKTL-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193979;MM193979;C#CCC(=N)NC1CC1;KBOPADKCQSBGPX-UHFFFAOYSA-N;122.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193980;MM193980;C#CCC(=O)NC1CC1;RCJZCJVXBYIFNH-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193981;MM193981;C#CCC(=C)OC1CC1;PSNWXIGZLVMJQT-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193982;MM193982;C#CCC(=O)OC1CC1;REDMEGQCSOUHCL-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193983;MM193983;C#CCC(=C)CC1CO1;SMFGZSRJHXISOT-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193984;MM193984;C#CCC(=O)CC1CO1;OFVKYDANOOZCQO-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193985;MM193985;C#CCC(=C)CN1CC1;BTQNEUBRAPRMCX-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193986;MM193986;N#CCNCC(O)CF;SKCMLWWLTBROGF-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193987;MM193987;C#CCC(=N)NN1CC1;NWQGJJONCLDODE-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193988;MM193988;C#CCC(=O)NN1CC1;JMVHKKUIDFXXON-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193989;MM193989;CC=CC(C)CC1CC1;LUYRDMATICZZDL-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193990;MM193990;CC=CC(N)CC1CC1;RIMVNJMWMMRQSK-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193991;MM193991;CC=NOCC(=O)CO;STTJKKRFUKFHDE-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193992;MM193992;CC=CC(F)CC1CC1;SURAQLMUNDTZFS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193993;MM193993;CC(C=NN)CC1CC1;NOIUNIQTLYMSQZ-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193994;MM193994;CN=CN(C)CC1CC1;OPCDBWKUEHUKMF-UHFFFAOYSA-N;126.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193995;MM193995;CN=CN(N)CC1CC1;QJYMOVWKSJMORK-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193996;MM193996;CC=NN(C)CC1CC1;GNOHNJDMGWVBHS-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193997;MM193997;CC=CC(N)CC1CN1;JHPKEEWEHBSDAE-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193998;MM193998;CN=CN(C)CC1CN1;LTRUPOWHSUDUGT-UHFFFAOYSA-N;127.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM193999;MM193999;CC=CC(C)CC1CO1;RLEIAPOFPLBELW-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194000;MM194000;CC(C=CF)CC1CO1;FEPYKWVGEJRVDT-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194001;MM194001;CC=CC(O)CC1CO1;VYKTXVGOJDSTIK-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194002;MM194002;CN=CN(C)CC1CO1;YYBHCXVURHWCPE-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194003;MM194003;CN=CN(N)CC1CO1;XZIHHLKDXWYVDW-UHFFFAOYSA-N;129.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194004;MM194004;CC=NN(C)CC1CO1;UTWROEVQFQEXCI-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194005;MM194005;CC=CC(N)CN1CC1;FBMWMPQZJKKSBI-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194006;MM194006;NN=c1on(O)cc1F;GHFFUYQRMXBOIR-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194007;MM194007;C=C(C=CC)CC1CC1;DYOGFJQKNBCRNW-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194008;MM194008;CC=CC(=O)CC1CC1;RPTDFWJZGJLGNG-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194009;MM194009;NC=CC(=O)CC1CC1;YLJSIJYFIOBLEV-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194010;MM194010;C=C(C=NN)CC1CC1;DGCLPUGIGURJAI-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194011;MM194011;CNc1ccc(O)n1C;FFZXXOBPHZLEEL-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194012;MM194012;C=C(C=CC)OC1CC1;STGAKPZMWBHQEJ-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194013;MM194013;CC=CC(=O)OC1CC1;WULPSTCADJSLQN-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194014;MM194014;NC=CC(=O)OC1CC1;SDXWKGPXYKHILD-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194015;MM194015;C=C(C=CC)CC1CO1;OKQWVSGDGDZAEE-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194016;MM194016;CC=CC(=O)CC1CO1;IPCVQVJCYADACC-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194017;MM194017;C=C(C=CC)CN1CC1;CWSGEDMOPPNZNK-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194018;MM194018;CC=CC(=O)CN1CC1;APJNPFBCMYCAAP-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194019;MM194019;NC=CC(=O)CN1CC1;UNSJORGNVWFDQB-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194020;MM194020;CC=CC(=N)NN1CC1;IYRRNAQTRPJKDE-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194021;MM194021;CC=CC(=O)NN1CC1;KJCCXOXXCZUSEH-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194022;MM194022;CC#CC(C)CC1CC1;QYWMOQCRVNIIAD-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194023;MM194023;CC#CC(N)CC1CC1;SCNLRJUESUUXPL-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194024;MM194024;CC#CC(O)CC1CC1;BQIFANMUWMMINV-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194025;MM194025;CC#CC(F)CC1CC1;TXQXCBRQVQFHJZ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194026;MM194026;CC#CC(C)NC1CC1;YDLGFKFQXQFHNW-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194027;MM194027;CC#CC(C)OC1CC1;FTIDHWKPJQTKHN-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194028;MM194028;CC#CC(N)CC1CN1;KGTGQYLNDIPVMO-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194029;MM194029;CC#CC(C)CC1CO1;JXEREWHTDDLDCR-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194030;MM194030;CC#CC(N)CC1CO1;VZKWNGNKEYSWAM-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194031;MM194031;CC#CC(O)CC1CO1;NSZXVMXZTYYBKL-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194032;MM194032;CC#CC(F)CC1CO1;MOBWRFYXDCRBAQ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194033;MM194033;N=Nc1c[nH]c(N)c1F;YXSWIEFZJRFDFD-UHFFFAOYSA-N;128.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194034;MM194034;CC#CC(F)CN1CC1;YOODBKBUHSZRAD-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194035;MM194035;C=C(C#CC)CC1CC1;PEQHHLGMHOXAHP-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194036;MM194036;CC#CC(=O)CC1CC1;VULACOLGANOZDN-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194037;MM194037;CC#CC(=N)NC1CC1;MECZCRILAUTALW-UHFFFAOYSA-N;122.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194038;MM194038;CC#CC(=O)NC1CC1;ZNQUFDMDDNODKO-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194039;MM194039;C=C(C#CC)OC1CC1;FIWIUSIAKIJLFL-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194040;MM194040;CC#CC(=O)OC1CC1;MLYKLZLCYTUOIV-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194041;MM194041;C=C(C#CC)CC1CO1;TUFVPVIBTNVXQN-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194042;MM194042;CC#CC(=O)CC1CO1;OSAVZBIMHYEDQN-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194043;MM194043;C=C(C#CC)CN1CC1;ZVSNCGADZJNYFI-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194044;MM194044;CC#CC(=O)CN1CC1;XGJBXWFYZSMGJD-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194045;MM194045;CC#CC(=N)NN1CC1;UARILOVUPYIWRM-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194046;MM194046;CC#CC(=O)NN1CC1;BDQNGOFGVNJIQW-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194047;MM194047;CCC=C(C)CC1CC1;VZXGXDPBJGBJSB-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194048;MM194048;CC(=CCN)CC1CC1;BARNRZDWRCFARO-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194049;MM194049;CCC=C(F)CC1CC1;JMOGGHHQPCTVPN-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194050;MM194050;CC(=CCN)CC1CN1;CBNSUAJGZOLXSH-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194051;MM194051;CCC=C(C)CC1CO1;VDYXCDZJVNNSNH-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194052;MM194052;CC(=CCN)CC1CO1;ZSFBUSQJJGEJIT-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194053;MM194053;CCC=C(F)CC1CO1;OZPZRSCDYGSHGB-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194054;MM194054;CCC=C(C)CN1CC1;CSHDUSWAANZDLV-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194055;MM194055;C#CC(=NC)N(O)C=N;UKUWZNHEIWNNAO-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194056;MM194056;C=CC=C(C)CC1CC1;OZVVKBHZVZYPFL-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194057;MM194057;CC(=CC=O)CC1CC1;PJFKLMXSFAFGRZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194058;MM194058;CC(=CC#N)CC1CC1;XVTPQPMARLMYKO-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194059;MM194059;NC(=CC=O)CC1CC1;APNQOXJLUURCAP-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194060;MM194060;N#CC=C(N)CC1CC1;GPSZWEUSJLDSBL-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194061;MM194061;C=CC=C(F)CC1CC1;SXWZQQOMOCRYJG-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194062;MM194062;N#CC=C(F)CC1CC1;NVFYTUZGHHGQLM-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194063;MM194063;CC(=CC=O)NC1CC1;BYTPBNUWSATFJT-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194064;MM194064;NC(=CC=O)NC1CC1;AGOWZOGEWZHXCL-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194065;MM194065;N#CC=C(N)NC1CC1;HNXABCZAOJEOPZ-UHFFFAOYSA-N;123.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194066;MM194066;CC(=NC1CC1)NC=N;YSMNQKXMGCMEEO-UHFFFAOYSA-N;125.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194067;MM194067;O=C(CO)C1NC1CO;QVLXGHAAQDDFNE-UHFFFAOYSA-N;131.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194068;MM194068;C=CC=C(C)OC1CC1;PSQVGDAHDXCJBY-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194069;MM194069;CC(=CC=O)OC1CC1;YHKTXQKIVYBZOG-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194070;MM194070;CC(=CC#N)OC1CC1;GQKIATREDRMGLE-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194071;MM194071;NC(=CC=O)OC1CC1;JAHFBWKTTXYLSA-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194072;MM194072;N#CC=C(N)OC1CC1;SLZMLZPMRWSAHU-UHFFFAOYSA-N;124.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194073;MM194073;C=NN=C(C)OC1CC1;AOCLWYCNDGGRMQ-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194074;MM194074;C=CC=C(C)CC1CO1;QTMUDYMTOYDXQB-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194075;MM194075;NC(=CC=O)CC1CO1;XTKPHQBPWWQVDK-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194076;MM194076;C=CC=C(F)CC1CO1;SVPJXFNMFDJNMH-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194077;MM194077;N#CC=C(F)CC1CO1;OOXKKOHTBXALOD-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194078;MM194078;C=NN=C(C)CC1CO1;NRHKCQOGQOFVBS-UHFFFAOYSA-N;126.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194079;MM194079;C=CC=C(C)CN1CC1;KAJPKYJIWKZZJG-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194080;MM194080;CC(=CC=O)CN1CC1;DJLOOCJCQZZEKE-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194081;MM194081;N#CC=C(N)CN1CC1;QAMYNFCPOYQNPW-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194082;MM194082;C=CC=C(F)CN1CC1;FJPBIRBLTBBIKI-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194083;MM194083;O=CC=C(F)CN1CC1;LDVSBCNPFHDSHW-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194084;MM194084;N#CC=C(F)CN1CC1;RSDWSECXNNMFTE-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194085;MM194085;C=NN=C(C)CN1CC1;IPXHVDSMXITJHV-UHFFFAOYSA-N;125.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194086;MM194086;CC(=NN1CC1)NC=N;ITDMLYHMZWGRFR-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194087;MM194087;CC(=NN1CC1)NC=O;IYFBXSGKWDVQHG-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194088;MM194088;C=NOCC1C(O)C1O;MVAWGEGOQXHKSK-UHFFFAOYSA-N;131.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194089;MM194089;C#CC=C(C)CC1CC1;LLYZOECHOQOKMH-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194090;MM194090;C#CC=C(F)CC1CC1;MEWVDSHOBMMRBJ-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194091;MM194091;C#CC=C(C)OC1CC1;DNWMUDBONXLFQP-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194092;MM194092;C#CC=C(C)CC1CO1;BJEBIELNYPFMCZ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194093;MM194093;C#CC=C(F)CC1CO1;QQINDBJGEGYKNL-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194094;MM194094;C#CC=C(C)CN1CC1;WPJKLTOIHCWTID-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194095;MM194095;C#CC=C(F)CN1CC1;ZTEAQATWJYXZFI-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194096;MM194096;CCCC(C)=CC1CC1;IOFWGKOPZFZSKY-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194097;MM194097;CCCC(F)=CC1CC1;RMONOUZTJJAICG-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194098;MM194098;CNCC(C)=CC1CC1;QTZGPNNMYALIHM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194099;MM194099;CC(=CC1CN1)CCN;CRJOZKVAJSQWIC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194100;MM194100;CNCC(C)=CC1CN1;JMGWGCVCHLDHAE-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194101;MM194101;CCCC(C)=CC1CO1;NVEWKJXRFAAOEZ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194102;MM194102;CC(=CC1CO1)CCN;BDCVGRNYZZJIBY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194103;MM194103;CCCC(F)=CC1CO1;DCMBXGGSYPYCNS-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194104;MM194104;CNCC(C)=CC1CO1;QJIWSEWVLYKGAA-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194105;MM194105;CCOC(C)=CC1CO1;NBFSUDIGJRQDPK-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194106;MM194106;CCCC(C)=NN1CC1;YFZQIEKPMFVJJC-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194107;MM194107;CC(CCN)=NN1CC1;AFAPZTUMUMGVJZ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194108;MM194108;CCOC(C)=NN1CC1;UUMWYFBEFZWBCS-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194109;MM194109;CC(=CC1CC1)CC#N;IEYQVQXYAXQFON-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194110;MM194110;CC(=CC1CC1)NC=N;SEONNWSGCIWJGT-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194111;MM194111;CC(=CC1CC1)NC=O;IXICCKQNVNHDEO-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194112;MM194112;C=COC(C)=CC1CC1;JPAYVRMYPGUNSP-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194113;MM194113;C=CN=C(C)NC1CC1;OYZMJWPBGVQNJT-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194114;MM194114;CC(=CC1CN1)NC=N;QVSOBSFEBAWVSX-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194115;MM194115;CC(=CC1CO1)CC=O;QMOHZBOKJDVQTH-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194116;MM194116;CC(=CC1CO1)CC#N;JSVDOHPSZMTLPC-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194117;MM194117;CC(=CC1CO1)NC=N;IISOKMPJIHGEKW-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194118;MM194118;C=COC(C)=CC1CO1;FMMGPACYPBGGTL-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194119;MM194119;C=C(C=NOC(N)=O)CF;HLCRHIBWMNCLBN-UHFFFAOYSA-N;146.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194120;MM194120;CC(CC#N)=NN1CC1;VPEPVNTZHFPBJO-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194121;MM194121;C=CNC(C)=NN1CC1;WBFVTGIWXAATAU-UHFFFAOYSA-N;125.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194122;MM194122;C=COC(C)=NN1CC1;PUVRBSPSWQUDPP-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194123;MM194123;C=NOC(C)=NN1CC1;GHUQIQBWTPHVPM-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194124;MM194124;C#CCC(C)=CC1CC1;KUCNVYYUCBAAJJ-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194125;MM194125;C#CCC(F)=CC1CC1;YYRBFWWMYFHFSR-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194126;MM194126;C#CCC(C)=CC1CO1;LGCVZKOUSQLXTQ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194127;MM194127;C#CCC(F)=CC1CO1;ZKIZTVRHOLPPIN-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194128;MM194128;C#CCC(C)=NN1CC1;JYZJPHXXINUTPU-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194129;MM194129;CC=CC(C)=CC1CC1;ZGLHKPVLLURLEC-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194130;MM194130;CC=CC(F)=CC1CC1;NBRVUHSRVZFEGY-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194131;MM194131;N=CNC(N)=NC1CC1;UKKXDMUWJYIQPG-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194132;MM194132;CC=CC(C)=CC1CO1;QYZHDMDWILXQMY-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194133;MM194133;CC=CC(F)=CC1CO1;KVZGJMJMKSCJKG-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194134;MM194134;CC(C=NN)=CC1CO1;QMLYUKUMNOKGIP-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194135;MM194135;CC=CC(C)=NN1CC1;ZLCQNTDRHKPYFM-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194136;MM194136;N=CNC(N)=NN1CC1;SXMRUPQWKAIJEW-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194137;MM194137;CC#CC(C)=CC1CC1;BNJBIRZCBWDKMC-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194138;MM194138;CC#CC(F)=CC1CC1;XXBCBVRZMMNSST-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194139;MM194139;CC#CC(F)=CC1CN1;URLHTSBVFXVYHR-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194140;MM194140;CC#CC(C)=CC1CO1;DWUUXOJUOHFBTQ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194141;MM194141;CC#CC(F)=CC1CO1;WIOOMVRVELYALB-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194142;MM194142;CC#CC(C)=NN1CC1;IFULTINBKKJOBY-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194143;MM194143;CCC1CC1CC(C)C;FNUSCVRZQKZPLR-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194144;MM194144;CC(N)CC1CC1CO;IRVYXHQMJAKOOX-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194145;MM194145;CNC1CC1CC(C)N;KTNLFLCLZIPLLR-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194146;MM194146;CNC1CC1CC(C)O;LGDNFQADBHOTKD-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194147;MM194147;CNC1CC1CN(C)C;UGOIXOFFWITSLB-UHFFFAOYSA-N;128.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194148;MM194148;CC(N)CC1NC1CN;KFKQXNZOTAWPSI-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194149;MM194149;CN(C)CC1NC1CN;DGUPRLFAHKDJEX-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194150;MM194150;CC(N)CC1OC1CO;AULRZNYNRTXPNV-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194151;MM194151;CCN1CC1CC(C)N;XHPNVOVTVMYCHV-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194152;MM194152;C=CC1NC1CC(C)N;CTGHIUQNQLCNAJ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194153;MM194153;CC(C)=NOCC(=O)CO;LLDAJGMTCXAGRB-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194154;MM194154;CC(F)CC1NC1C#N;AGHPIYKPYATHSQ-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194155;MM194155;C=CC1OC1CC(C)N;KTYWHICMIOWECM-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194156;MM194156;C=CC1OC1CC(C)O;QXDUUEGXOQKLHY-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194157;MM194157;C=CC1OC1CN(C)C;KKAYHNQTLXMFGM-UHFFFAOYSA-N;127.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194158;MM194158;CC(C)CC1CN1C=N;TWDJWDSCBZUAGG-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194159;MM194159;CC(C)CC1CN1C=O;FTRRPYKPXVWWAD-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194160;MM194160;CC(N)CC1CN1C=N;BZZWMJMZZUOMDL-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194161;MM194161;CC(N)CC1CN1C=O;XPJPXEZJGUEUSN-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194162;MM194162;CC(O)CC1CN1C=N;KJRPRCUFUKQZKC-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194163;MM194163;CC(O)CC1CN1C=O;RCSOGXRSHPBLEX-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194164;MM194164;CC(F)CC1CN1C=N;VMXDPEGNUUYHMC-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194165;MM194165;CC(F)CC1CN1C=O;YQPODNPVIDLVMZ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194166;MM194166;N=CN1CC1CC(F)F;KDMAXUCCYBKPSW-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194167;MM194167;O=CN1CC1CC(F)F;JHKPDBALFTUROR-UHFFFAOYSA-N;135.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194168;MM194168;C=NN1CC1CC(C)C;ATKPBYAGNMTBRJ-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194169;MM194169;C=NN1CC1CC(C)N;LGNGSTKNCOYYDI-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194170;MM194170;CC(C)C(CC(N)=O)=NN;XTPFTMYHPZTCFG-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194171;MM194171;C=NN1CC1CC(C)F;MLKHEDDAMKYZBN-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194172;MM194172;C=NN1CC1CC(F)F;RKETYCTZESLSAN-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194173;MM194173;CN(C)CC1CN1C=N;ZRIBUAIFQUCQSU-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194174;MM194174;CN(C)CC1CN1C=O;BKECSYHTRLOERD-UHFFFAOYSA-N;128.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194175;MM194175;NC(=O)ON=CC=CCF;MTKMEVBPSGGHGJ-UHFFFAOYSA-N;146.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194176;MM194176;CN(N)C(=O)NC=CCO;FWFVJGSBIJGSDJ-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194177;MM194177;C#CC1CC1CC(C)N;GZWSWCUHZUXLQO-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194178;MM194178;C#CC1CC1CC(C)F;UJTWWBQHJINTIY-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194179;MM194179;C#CC1CC1CC(F)F;UJPZDNZTTMVLHG-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194180;MM194180;C#CC1CC1NC(C)C;SADLIFUPCSENAT-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194181;MM194181;C#CC1CC1CN(C)C;HOTMDXWKAQLBAY-UHFFFAOYSA-N;123.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194182;MM194182;C#CC1NC1CC(C)N;FWYNBZVIIJKICW-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194183;MM194183;CON=c1cc(C)n(O)o1;PGPMDXPWTMRQJK-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194184;MM194184;C#CC1OC1CC(C)C;SOVFKTOYNIFEBR-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194185;MM194185;C#CC1OC1CC(C)N;ASSMMDRNZRQTTD-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194186;MM194186;C#CC1OC1CC(C)O;WUABYCRTEJVYMJ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194187;MM194187;C#CC1OC1CN(C)C;MSZXQEIKYOWJJW-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194188;MM194188;C#CC1CN1CC(C)C;SXLODSZJXQCAHL-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194189;MM194189;C#CC1CN1CC(C)N;XJSAAAXFEFVKER-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194190;MM194190;CC1=CC(C=NN)=CC1C;SKZHFDZSGDZREY-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194191;MM194191;CNC1CC1CC(=N)N;IYJSOZDLBAVARA-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194192;MM194192;C=C(F)CC1CC1NC;FZHWTGTZMOYFFC-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194193;MM194193;C=C(C)CC1NC1CN;CNCOOPMZSKIFFW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194194;MM194194;C=C(C)CC1OC1CN;QDZYWBPCEBVEAM-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194195;MM194195;CCN1CC1CC(=N)N;OVHXMNJXZADDBE-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194196;MM194196;C=C(C)CC1CC1C#N;UHGNHMFCFHBJGL-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194197;MM194197;C=CC1CC1CC(C)=O;VYIOSUSKISXNMX-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194198;MM194198;CC(=O)CC1CC1C#N;AQSRIUBCCAWQAE-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194199;MM194199;C=CC1CC1CC(=N)N;AHJVWCVDQFOWHK-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194200;MM194200;N#CC1CC1CC(=N)N;RUTMYKYUISZTMU-UHFFFAOYSA-N;123.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194201;MM194201;C=CC(C#CC(C)O)=NN;GIXJSFUTMATGJL-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194202;MM194202;N#CC1CC1CC(N)=O;SRBVHYLSYHEZTL-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194203;MM194203;C=CC1CC1CC(=O)O;RXMTXDSBUXUVLL-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194204;MM194204;C=CC1CC1CC(=C)F;RCZZOEVRKRKOOX-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194205;MM194205;C=C(F)CC1CC1C#N;KPHMTMWBKAIWSQ-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194206;MM194206;C=CC1CC1NC(C)=O;BRXSFYIPBOHNBJ-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194207;MM194207;N#CC1CC1NC(N)=O;IMPCOPYSRZICMP-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194208;MM194208;C=CC1CC1OC(=C)C;HBIFKOVQEAXHIM-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194209;MM194209;C=CC1NC1CC(=N)N;UEYNJZMBJVLCRW-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194210;MM194210;C=CC1OC1CC(=C)C;QAIBDDQKKAOCQQ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194211;MM194211;CC(=O)CC1OC1C#N;CUSDDSIYUQBZAV-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194212;MM194212;C=C(C)CC1CN1C=N;YAXCTVUOJRIMNV-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194213;MM194213;C=C(C)CC1CN1C=O;VOBKRVFZIINKPC-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194214;MM194214;CC(=O)CC1CN1C=N;SNBBLVFUSIPFBJ-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194215;MM194215;C#CC(C#CC(N)=O)=NN;MPTDMIDIEXQYQX-UHFFFAOYSA-N;135.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194216;MM194216;N=CN1CC1CC(=N)N;ROCUENWEMOHBEG-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194217;MM194217;N=C(N)CC1CN1C=O;MAOBKTMMJUPRCZ-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194218;MM194218;N=CN1CC1CC(N)=O;APJJWMSCPSAZMN-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194219;MM194219;NC(=O)CC1CN1C=O;GHWVFLIBJGYJKH-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194220;MM194220;C=C(F)CC1CN1C=N;PSFZVQKANTVMLB-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194221;MM194221;C=C(F)CC1CN1C=O;UCQNMIVZBKQVGB-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194222;MM194222;C=NN1CC1CC(=C)C;ZBJNGLJKVYFTED-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194223;MM194223;CC(C)=NOC(C#N)CO;TZRMXJZWABYOOC-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194224;MM194224;C=NN1CC1CC(=N)N;STHGNUWOGSQVQQ-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194225;MM194225;CCC(O)C(F)C=NNC;QPCXDAFRORQDMG-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194226;MM194226;NN=c1n(O)oc(=O)n1O;SUFTXJIYEQNSAC-UHFFFAOYSA-N;148.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194227;MM194227;C=NN1CC1CC(=C)F;FLGQUKQAFKGOEJ-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194228;MM194228;CNN=CC(O)C(C)C=O;SHQTWTOGTQUSBX-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194229;MM194229;CC(=N)NN1CC1C#N;UFMYWWQBEXFHML-UHFFFAOYSA-N;124.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194230;MM194230;C=CC1CN1NC(C)=O;BZBAUVXRQRCXNW-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194231;MM194231;C=CC1CN1NC(=N)N;SPTSNTFQMTUWNG-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194232;MM194232;C#CC1CC1CC(C)=O;DBSHVHGELVBGBF-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194233;MM194233;C#CC1CC1CC(=N)N;WYPDPMXMLVYLCY-UHFFFAOYSA-N;122.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194234;MM194234;C#CC1CC1CC(=O)O;UCPDMRPQCKFYGC-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194235;MM194235;C#CC1CC1NC(C)=N;CAPUNRPVYLQANP-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194236;MM194236;C#CC1CC1OC(=C)C;YPMLYLKPPOIMCZ-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194237;MM194237;C#CC1NC1CC(=C)C;DDUHCVVWZLMJLY-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194238;MM194238;CC(=NN=CN)C(=O)CO;NKSDYDMMNORVNC-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194239;MM194239;C#CC1NC1CC(=N)N;NUROWWSQXAFKRO-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194240;MM194240;O=C(CO)CNN=CCO;BNFOEVZCCIHKLA-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194241;MM194241;N#CC(=N)NC(=O)CCO;GTOXQZHRCKZWSJ-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194242;MM194242;C#CC1OC1CC(=C)C;WONIOBOGOHPQJG-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194243;MM194243;C#CC1CN1CC(=C)C;CVUJSLTWVXLUFB-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194244;MM194244;CNN=COCC(=O)CO;FFOMBRQQDJUNFS-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194245;MM194245;C#CC1CN1NC(C)=O;IKIVACQLYBTRLE-UHFFFAOYSA-N;124.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194246;MM194246;CCC1CC1C=C(C)C;USMLWCLCLPMAKQ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194247;MM194247;NCC1CC1C=C(F)F;YZXPNXXWEAKWCH-UHFFFAOYSA-N;133.14;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194248;MM194248;FCC1CC1C=C(F)F;WDHPCMTYGNHZPK-UHFFFAOYSA-N;136.12;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194249;MM194249;CC(C)=CC1NC1CN;ICUIHIOPXDOJBS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194250;MM194250;CON=COCC(=O)CO;VHWDEGVWKDYZNP-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194251;MM194251;CCC1NC1C=C(F)F;CMKQBBMGDRSPOW-UHFFFAOYSA-N;133.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194252;MM194252;CC(C)=CC1OC1CN;LDXSFEWQZAHZLT-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194253;MM194253;CCN1CC1C=C(F)F;ZFKDVGCHMNDFSY-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194254;MM194254;C=CC1CC1C=C(C)C;OALDBPIGRPHLHG-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194255;MM194255;C=CC1NC1C=C(C)C;XADUASMRKOGBOA-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194256;MM194256;C=CC1NC1C=C(C)F;RKBWPGQUGRODNY-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194257;MM194257;C=CC1OC1C=C(C)C;ZUQQTKXJIALIOD-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194258;MM194258;N#CC1OC1C=C(F)F;WTXHJWVRXDLCQH-UHFFFAOYSA-N;131.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194259;MM194259;CC(C)=CC1CN1C=N;TUEJIVFMJLKDPF-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194260;MM194260;CC(C)=CC1CN1C=O;IMHJYFDQMOTTTB-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194261;MM194261;CC(F)=CC1CN1C=N;ZZOITXVSLWJVIJ-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194262;MM194262;CC(F)=CC1CN1C=O;ARCMZNOYEZMWDC-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194263;MM194263;N=CN1CC1C=C(F)F;ZSFDIDVYNMLVKI-UHFFFAOYSA-N;132.11;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194264;MM194264;O=CN1CC1C=C(F)F;DQNIWLRNGYECPL-UHFFFAOYSA-N;133.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194265;MM194265;C=NN1CC1C=C(C)C;KIVCYYHLCVDCLB-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194266;MM194266;C=NN1CC1C=C(C)F;DXSDEUFUGVWOMQ-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194267;MM194267;C=NN1CC1C=C(F)F;RMVCRAKERURCAY-UHFFFAOYSA-N;132.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194268;MM194268;C=CC1CN1N=C(C)C;YAHFEVUUNXKELT-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194269;MM194269;CC(C)=NN1CC1C#N;HOLXCPVIEYVLNE-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194270;MM194270;C#CC1CC1C=C(C)C;OKCMMPXTFJEOMZ-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194271;MM194271;C#CC1CC1C=C(F)F;XUMRRWDYIPACFI-UHFFFAOYSA-N;128.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194272;MM194272;C#CC1NC1C=C(C)C;HFNSZMHMHPZPJW-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194273;MM194273;C#CC1NC1C=C(F)F;ISHKZXVOOXLLSW-UHFFFAOYSA-N;129.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194274;MM194274;C#CC1OC1C=C(C)C;CAGUYQOURHEURV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194275;MM194275;C#CC1CN1N=C(C)C;MVAVNFZAZHGTQH-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194276;MM194276;CC1CC(C)N(C=N)C1;AWHCPKCHBJEVTE-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194277;MM194277;CC1CC(N)CN1C=O;NNOBWDRCRINVDF-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194278;MM194278;C=NN1CC(N)CC1C;QLTBWAQTDXCCPA-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194279;MM194279;CCC=NOCC(=O)CO;OCTFGUUYWUMEOX-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194280;MM194280;C#CC1NC(C)CC1C;FUQKDFIUMVWIGN-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194281;MM194281;C=C1CC(C)N(C=N)C1;JEOGZSUXINHCES-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194282;MM194282;C=NN1CC(=C)CC1C;JYBMCIOITAUOHN-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194283;MM194283;COC=NOCC(=O)CO;USWPVANTMLWORX-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194284;MM194284;C#CC1NC(=N)CC1C;YETBSKMPECLBEL-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194285;MM194285;COc1oc(=NN)oc1O;GTGIJSGIQLGMEA-UHFFFAOYSA-N;146.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194286;MM194286;CCn1oc(=O)[nH]c1=O;HXXDRTVVJUZMGQ-UHFFFAOYSA-N;130.1;-0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194287;MM194287;ON=C(CF)OCC(F)F;AOCHELUPHVMVTR-UHFFFAOYSA-N;157.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194288;MM194288;C=NN=CCC(C#N)=NO;RXSPSCVNTMRHMW-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194289;MM194289;C=CC(O)C(=NO)C(C)=O;YRNWBAUDIBRSOJ-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194290;MM194290;CCn1oc(=O)oc1=N;ZVBLJJHWZUPKSH-UHFFFAOYSA-N;130.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194291;MM194291;CCn1oc(=O)oc1=O;NGDCCDYYAPDVJQ-UHFFFAOYSA-N;131.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194292;MM194292;CNn1oc(=O)oc1=O;YMFPTPFBDABVRZ-UHFFFAOYSA-N;132.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194293;MM194293;COn1oc(=O)oc1=N;YITVONSDTDFRHP-UHFFFAOYSA-N;132.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194294;MM194294;COn1oc(=O)oc1=O;DDIKMLMSAPBXME-UHFFFAOYSA-N;133.06;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194295;MM194295;C=C1CC(=C)N(C=N)C1;VLQYCIDPVUFFRC-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194296;MM194296;C=CC(C)(O)C(C=O)=NO;CTMWSVAUMDXLCH-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194297;MM194297;CCc1cc(O)no1;COJBJDILSDCGSL-UHFFFAOYSA-N;113.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194298;MM194298;CN=c1nnn(C)c(O)n1;LZPYEEZAPLKPIU-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194299;MM194299;C=Cn1oc(=O)[nH]c1=O;CEIVHVDGMMTGIF-UHFFFAOYSA-N;128.09;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194300;MM194300;CC#CC(F)C=NO;RJLHUMZCNOEZTK-UHFFFAOYSA-N;115.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194301;MM194301;O=Cn1oc(=O)[nH]c1=O;PGILPRKPZUCCBY-UHFFFAOYSA-N;130.06;-1.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194302;MM194302;Nc1nc(O)nc(=O)n1O;NEUQKNUNNFSBQE-UHFFFAOYSA-N;144.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194303;MM194303;Cn1c(O)noc1=NN;PHEZDYHAQDKHMW-UHFFFAOYSA-N;130.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194304;MM194304;C=Cn1oc(=O)oc1=N;ZRFZUJIKSOLRBS-UHFFFAOYSA-N;128.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194305;MM194305;N=Cn1oc(=O)oc1=N;RHBOZYPXBLDSRE-UHFFFAOYSA-N;129.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194306;MM194306;N=c1oc(=O)on1C=O;IGTSSVCQXTYTER-UHFFFAOYSA-N;130.06;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194307;MM194307;C=Cn1oc(=O)oc1=O;QNHGKGXREMJSNU-UHFFFAOYSA-N;129.07;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194308;MM194308;N=Cn1oc(=O)oc1=O;WSONRKYPMZUYMP-UHFFFAOYSA-N;130.06;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194309;MM194309;O=Cn1oc(=O)oc1=O;SVHDPWMDPZENPI-UHFFFAOYSA-N;131.04;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194310;MM194310;C=Nn1oc(=O)oc1=N;ZPEDXRSPVPXYFL-UHFFFAOYSA-N;129.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194311;MM194311;C=Nn1oc(=O)oc1=O;VQDOFVCLQAKSMI-UHFFFAOYSA-N;130.06;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194312;MM194312;CC=C1CC(N)CC1C;MXTWJDABKSYKDG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194313;MM194313;C=CC=NOCC(=O)CO;BLUVKRAMPPCXKO-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194314;MM194314;CC=C1CC(F)CC1C;UVQIGDDVEUOSDX-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194315;MM194315;CC=C1CC(N)CC1N;ISMHKQLNIKYFCQ-UHFFFAOYSA-N;126.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194316;MM194316;CC=C1CC(C)NC1C;UFVILVLNEHGZNL-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194317;MM194317;CC=C1CC(C)OC1C;STLIQUFFTKOQJM-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194318;MM194318;CN=C1NC(C)CC1C;JNYCHWZQWSQVAA-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194319;MM194319;CC=C1OC(C)CC1C;APZBMIIUJHSYKT-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194320;MM194320;CC=C1CN(C)CC1C;XTFJRJSPEZVPKI-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194321;MM194321;C=C1CC(=CC)C(C)C1;MIQZHEQQWKWEPC-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194322;MM194322;CC=C1CC(=O)CC1C;AMFCSRXVXXNUAF-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194323;MM194323;C=C1CC(=CC)C(N)C1;LWKVFYLWHIVELW-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194324;MM194324;CC=C1CC(=N)NC1C;SAKFUTMAQJLXKK-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194325;MM194325;C=C1CC(=CC)C(C)O1;WQAWGKHBOSPKMB-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194326;MM194326;CC=C1NC(=N)CC1C;LSPPVYXXWMSDFM-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194327;MM194327;C=C1CC(C)C(=NC)N1;VTAILRBIYYXVKA-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194328;MM194328;CN=C1NC(=N)CC1C;BRNSOMAVFJIDAM-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194329;MM194329;C#CC=NOCC(=O)CO;PJOGIPPOUMDNHN-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194330;MM194330;C=C1CC(C)C(=CC)O1;FZATXSBUCFIMDW-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194331;MM194331;CC=C1OC(=O)CC1C;RIMMOIVEOPZDLU-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194332;MM194332;Nn1c(O)coc(=O)c1=O;GTSWVWLUGFXEPF-UHFFFAOYSA-N;144.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194333;MM194333;Nn1c(O)cc(O)nc1=O;JIVMYMTZEAPYCH-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194334;MM194334;Nn1oc(=O)n(O)c1=NO;ZOLCOCWIBNVELB-UHFFFAOYSA-N;148.08;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194335;MM194335;O=C(C=NN=CNO)CO;UTOCOWDCWNFPKQ-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194336;MM194336;Cn1[nH]c(=O)oc1=NN;YYUNFTQVYWSTDI-UHFFFAOYSA-N;130.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194337;MM194337;CN=c1oc(=O)[nH]n1N;OGJAQHKZDLOOIH-UHFFFAOYSA-N;130.11;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194338;MM194338;NN=c1oc(=O)[nH]n1N;OCMBLGMJLFFYBM-UHFFFAOYSA-N;131.1;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194339;MM194339;C=C1CC(C)CC1=CC;NDXRIENZFFOYNN-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194340;MM194340;COC(C=NN)=C(F)CO;SQCBFLNRPFFXRT-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194341;MM194341;CCC(=NOC)NNC=O;XDFCEHXGOUBCLT-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194342;MM194342;Cn1nc(NO)c(=O)o1;UGBMEUPRFXCILN-UHFFFAOYSA-N;131.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194343;MM194343;CN=CNc1noc(=O)o1;KBPNLLFOLGFQAI-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194344;MM194344;Cn1nc(N)c(=NO)o1;ADKWFEJUEVOCNI-UHFFFAOYSA-N;130.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194345;MM194345;N=CNC(=O)C(C=O)C=O;DJUQJDCUVZBEAO-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194346;MM194346;N#CC(CO)ON=CCF;LDMDGEYTFCQBKF-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194347;MM194347;Cn1oc(=O)c(=NO)o1;UOBQHDQGCJWCOS-UHFFFAOYSA-N;132.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194348;MM194348;C=C1CC(=C)C(=CC)C1;NMGVENJJLIZJII-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194349;MM194349;C=C1CC(=O)CC1=CC;SAIHJJHYIPIQJJ-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194350;MM194350;C=C1CC(=N)NC1=CC;JCVOTBQXUCFNCC-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194351;MM194351;C=c1[nH]c(=N)[nH]c1=CC;QHWRHBQKFFIUDG-UHFFFAOYSA-N;123.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194352;MM194352;C=c1[nH]c(=N)[nH]c1=CF;VMGZFCGMIKWWDH-UHFFFAOYSA-N;127.12;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194353;MM194353;C=c1[nH]c(=O)[nH]c1=CC;PYVGEIIUMGKUGF-UHFFFAOYSA-N;124.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194354;MM194354;C=c1[nH]c(=O)[nH]c1=CF;YFRIZLCCHLDCME-UHFFFAOYSA-N;128.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194355;MM194355;C=c1[nH]c(=NC)c(=C)o1;JZKJGIFJXPIVKF-UHFFFAOYSA-N;124.14;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194356;MM194356;C=C1CC(=C)C(=CC)O1;RVQYVSGKDFFMQU-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194357;MM194357;C=c1[nH]c(=N)c(=CC)o1;HVBFAGIYLRUNNM-UHFFFAOYSA-N;124.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194358;MM194358;C=c1[nH]c(=N)c(=CN)o1;AYWWHIHAYUWFEG-UHFFFAOYSA-N;125.13;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194359;MM194359;C=c1[nH]c(=N)c(=CF)o1;BIWFGWCRLBRRAU-UHFFFAOYSA-N;128.11;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194360;MM194360;C=c1[nH]c(=O)c(=CC)o1;ISCAQLYPRFUFBA-UHFFFAOYSA-N;125.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194361;MM194361;C=c1[nH]c(=O)c(=CN)o1;OFBQSPLZSNNRLM-UHFFFAOYSA-N;126.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194362;MM194362;C=c1[nH]c(=O)c(=CF)o1;GULSCHUUPLLQFA-UHFFFAOYSA-N;129.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194363;MM194363;CCC1CC(C)=CC1C;IQRZFHAWCPWFLP-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194364;MM194364;CC1=CC(C)C(CN)C1;RPVDIOVYAHJYPR-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194365;MM194365;C=CC1CC(C)=CC1C;BEZWPYMYZLQHJY-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194366;MM194366;CC1=CC(C)N(C=O)C1;WUXNYGPHKXXZGG-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194367;MM194367;C#CC1CC(C)=CC1C;COMXNCJNOOJNQX-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194368;MM194368;CCn1oc(N)nc1=N;SIEAEVJITJXVFI-UHFFFAOYSA-N;128.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194369;MM194369;CCn1oc(F)nc1=N;NJZAJDQTYWUDGP-UHFFFAOYSA-N;131.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194370;MM194370;CCn1oc(C)nc1=O;AEJDYACREVCTIG-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194371;MM194371;CCn1oc(N)nc1=O;OFJCGYAKJGCEPF-UHFFFAOYSA-N;129.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194372;MM194372;CN=c1nnnc(O)n1C;MEZRVTJQBPGIMT-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194373;MM194373;CCn1oc(F)nc1=O;ITBNPUFJEPXHKJ-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194374;MM194374;CNn1oc(N)nc1=N;UNJTVCOADSBVCQ-UHFFFAOYSA-N;129.12;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194375;MM194375;CNn1oc(F)nc1=N;JPYXUTAINWDGNW-UHFFFAOYSA-N;132.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194376;MM194376;CNn1oc(C)nc1=O;JJQQKBQKPHCPDQ-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194377;MM194377;N=c1nnc(CO)nn1N;WLWVUGWIHZXBST-UHFFFAOYSA-N;142.12;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194378;MM194378;C=CC(=O)c1nc(=N)[nH]o1;DZTPMRJRQAHGKS-UHFFFAOYSA-N;139.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194379;MM194379;CNn1oc(F)nc1=O;UYZMRBWCDAXSKF-UHFFFAOYSA-N;133.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194380;MM194380;COn1oc(C)nc1=N;FFCRENKIRXNHAH-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194381;MM194381;COn1oc(N)nc1=N;LRHKUGGPQQLYST-UHFFFAOYSA-N;130.11;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194382;MM194382;O=c1oc(=O)n(O)n1O;ICXIAGSOYKSLFV-UHFFFAOYSA-N;134.05;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194383;MM194383;COn1oc(F)nc1=N;PXJZFMWUDSZUSK-UHFFFAOYSA-N;133.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194384;MM194384;COn1oc(C)nc1=O;FFDVUWBEDQPARR-UHFFFAOYSA-N;130.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194385;MM194385;COn1oc(N)nc1=O;HWIIWJCTBNDJIJ-UHFFFAOYSA-N;131.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194386;MM194386;CC#Cc1nc(=O)o[nH]1;DTHFKTLPERXBGX-UHFFFAOYSA-N;124.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194387;MM194387;COn1oc(F)nc1=O;XUDBGTZUDWGHDZ-UHFFFAOYSA-N;134.07;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194388;MM194388;C=C1C=C(C)CN1C=N;HNWGJYONNLEIEI-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194389;MM194389;C=C1C=C(F)CN1C=N;SLIOHUBPBHFQOD-UHFFFAOYSA-N;126.13;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194390;MM194390;C=CN1CC(C)=CC1=N;AWAUBFWNSPIALP-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194391;MM194391;C=CN1CC(N)=CC1=N;UHOASAWNRCBPJV-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194392;MM194392;Cc1nc(=N)n(C=N)o1;SCZFXONPMMRQML-UHFFFAOYSA-N;126.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194393;MM194393;Cc1nc(=N)n(C=O)o1;ORBCQIDYCQZRRJ-UHFFFAOYSA-N;127.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194394;MM194394;C=Cn1oc(N)nc1=N;JDGYYZGJLGXONH-UHFFFAOYSA-N;126.12;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194395;MM194395;C#Cc1nnc(CO)n1C;WFRCOEQEHDZDML-UHFFFAOYSA-N;137.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194396;MM194396;Oc1c(F)cn(O)c1F;AOWSNBNFYLPUBF-UHFFFAOYSA-N;135.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194397;MM194397;Oc1cn(O)c(F)c1F;IBIVEKCSDCSIIV-UHFFFAOYSA-N;135.07;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194398;MM194398;C=Cn1oc(F)nc1=N;MMKPCDXXQZZJGG-UHFFFAOYSA-N;129.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194399;MM194399;N=Cn1oc(F)nc1=N;VAOQKSZLXBNPLG-UHFFFAOYSA-N;130.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194400;MM194400;N=c1nc(F)on1C=O;KIUIPFZSFGWQAE-UHFFFAOYSA-N;131.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194401;MM194401;C=Cn1oc(C)nc1=O;KUKSWJNYOYDNEV-UHFFFAOYSA-N;126.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194402;MM194402;Cc1nc(=O)n(C=N)o1;IXTXEJAAUOHWBW-UHFFFAOYSA-N;127.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194403;MM194403;Cc1nc(=O)n(C=O)o1;BBQNPFYCSZFKLK-UHFFFAOYSA-N;128.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194404;MM194404;C=Cn1oc(N)nc1=O;DSBKARKMXDSCRH-UHFFFAOYSA-N;127.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194405;MM194405;N=Cn1oc(N)nc1=O;RYRGJGNGWUKDIK-UHFFFAOYSA-N;128.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194406;MM194406;Nc1nc(=O)n(C=O)o1;LDFOTSOFISWRMN-UHFFFAOYSA-N;129.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194407;MM194407;CC(=NO)C(=O)C(F)(F)F;ZYQPJYSSUBMKAH-UHFFFAOYSA-N;155.08;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194408;MM194408;Cc1cc(=O)nc(O)n1O;DUUHHKZZTACEIW-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194409;MM194409;Oc1coc(F)c1O;ZGQUDUMRWDXHRU-UHFFFAOYSA-N;118.06;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194410;MM194410;C=Cn1oc(F)nc1=O;PYICQNPKQGTDFV-UHFFFAOYSA-N;130.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194411;MM194411;N=Cn1oc(F)nc1=O;ZABQMQUUNMTCCE-UHFFFAOYSA-N;131.07;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194412;MM194412;O=Cn1oc(F)nc1=O;NSIICOCLMGOQNS-UHFFFAOYSA-N;132.05;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194413;MM194413;C=Nn1oc(C)nc1=N;FFBIEESFTRZERV-UHFFFAOYSA-N;126.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194414;MM194414;CN(C)N=CNC(=O)C#N;MOJSXSBKZRLHMM-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194415;MM194415;C=Nn1oc(F)nc1=N;PLSXAENLDMTRTF-UHFFFAOYSA-N;130.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194416;MM194416;C=Nn1oc(C)nc1=O;JUBKTXXPTYQHKZ-UHFFFAOYSA-N;127.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194417;MM194417;CN1C(CO)C1C(=O)CO;OIOYWLPBTUVCDR-UHFFFAOYSA-N;145.16;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194418;MM194418;CCCc1cc(O)no1;VBZVFEACZQOVTG-UHFFFAOYSA-N;127.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194419;MM194419;C=Nn1oc(F)nc1=O;GUAPSGUVVOZCKF-UHFFFAOYSA-N;131.07;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194420;MM194420;CC=C1CC(C)=CC1C;ZGRLYZXSVMINKZ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194421;MM194421;CC=C1CC(F)=CC1C;TYJKREKFGKAXRJ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194422;MM194422;CC=C1CC(C)=CC1N;GBSATWINXDXNIA-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194423;MM194423;CN=C1NC(C)=CC1C;DCAQESVKRPNGNO-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194424;MM194424;CC1=CC(C)C(NN)=N1;VAFULOSGGPDIFA-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194425;MM194425;CC=C1N=C(C)NC1C;GQQXISXHMGCEQQ-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194426;MM194426;CC=C1OC(C)=CC1C;ZXSBTJHTPDRXOF-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194427;MM194427;CN=c1[nH]c(C)cn1C;KFLZATBHOSTBIL-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194428;MM194428;Cc1cn(C)c(=NN)[nH]1;PHDGRWYYUUPLPB-UHFFFAOYSA-N;126.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194429;MM194429;CN=c1[nH]c(N)cn1C;NVULJFLWGIKSTK-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194430;MM194430;Cn1cc(N)[nH]c1=NN;FOQIKGHPEBQNMZ-UHFFFAOYSA-N;127.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194431;MM194431;CN=c1[nH]c(O)cn1C;UDVWETUGEWENIN-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194432;MM194432;Cn1cc(O)[nH]c1=NO;NHZJLDNWQBDZJS-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194433;MM194433;CN=c1[nH]c(F)cn1C;IYAVLDSUGBHIQW-UHFFFAOYSA-N;129.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194434;MM194434;Cn1cc(F)[nH]c1=NO;COKROYRNDPKOKA-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194435;MM194435;CN=c1[nH]c(C)cn1N;NXCVNPSAOWPKQE-UHFFFAOYSA-N;126.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194436;MM194436;Cc1cn(N)c(=NN)[nH]1;OPZCLOFOTCRDSA-UHFFFAOYSA-N;127.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194437;MM194437;CN=c1[nH]c(N)cn1N;RNNCXHWLVBQLPS-UHFFFAOYSA-N;127.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194438;MM194438;NN=c1[nH]c(N)cn1N;UWSDSIRGYHFGLH-UHFFFAOYSA-N;128.14;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194439;MM194439;CN=c1[nH]c(O)cn1N;FTIHSGPXYSGDHI-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194440;MM194440;Nn1cc(O)[nH]c1=NO;IOSJVHPUHAJIHN-UHFFFAOYSA-N;130.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194441;MM194441;CN=c1[nH]c(C)cn1O;YNGHNRAPJWURMT-UHFFFAOYSA-N;127.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194442;MM194442;Cc1cn(O)c(=NO)[nH]1;PIOLMQUJGWCXJM-UHFFFAOYSA-N;129.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194443;MM194443;CN=c1[nH]c(N)cn1O;OCYVJSBPIPAPAR-UHFFFAOYSA-N;128.14;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194444;MM194444;Nc1cn(O)c(=NO)[nH]1;WOXYFUGBZUUQIU-UHFFFAOYSA-N;130.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194445;MM194445;CC(C)(O)C#CC1CN1;RPFRQAXPSUQHCB-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194446;MM194446;NN=c1[nH]c(F)cn1O;LBMNJYAHNUJLAS-UHFFFAOYSA-N;132.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194447;MM194447;CN=c1[nH]c(N)nn1C;CWIPTRSOCMYKOL-UHFFFAOYSA-N;127.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194448;MM194448;Cn1nc(N)[nH]c1=NN;LNRBVJHBXNONHW-UHFFFAOYSA-N;128.14;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194449;MM194449;Cn1nc(N)[nH]c1=NO;BBMGPTJJDKNPJM-UHFFFAOYSA-N;129.12;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194450;MM194450;CCC1OC1C(CO)=NO;VKTXMZKBCFZBOE-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194451;MM194451;CNc1onc(O)c1C;VVPRAQKFEULXMW-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194452;MM194452;CN=c1[nH]c(N)nn1N;GFSQZDRBDLTKSJ-UHFFFAOYSA-N;128.14;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194453;MM194453;C=CC#CC(F)C=NO;MHCYPFVFDZSMKC-UHFFFAOYSA-N;127.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194454;MM194454;Cc1c(O)c(O)nn1C;HIOWCQPVMAVVBW-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194455;MM194455;CN=c1[nH]c(N)nn1O;GHIUYJRKUOLMQS-UHFFFAOYSA-N;129.12;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194456;MM194456;Cn1nnc(=O)[nH]c1=N;BHUVPNJCAULELU-UHFFFAOYSA-N;127.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194457;MM194457;Nc1c(O)n[nH]c1CF;RBHGKVMBWHQNKI-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194458;MM194458;C#Cc1n[nH]c(CC)c1O;GUPQGKJHHWZULF-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194459;MM194459;NC=NN=CC(=O)CO;PVWNMBAQOOTZTN-UHFFFAOYSA-N;129.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194460;MM194460;Cc1cn(C)c(=NO)o1;SEQSRWNNRGAVGQ-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194461;MM194461;Cc1cc(N)n(N)c1O;LOBWMSDJOPBKOM-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194462;MM194462;Cn1cc(N)oc1=NO;WEVVYXLAUSSUKN-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194463;MM194463;CN=c1oc(F)cn1C;VRZWNRFWTDWWSK-UHFFFAOYSA-N;130.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194464;MM194464;N#CCN1CC(O)C=N1;JWGVTVUJOINLKN-UHFFFAOYSA-N;125.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194465;MM194465;CN=c1oc(C)cn1N;SRVADEWFRTWFNK-UHFFFAOYSA-N;127.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194466;MM194466;C#CCN1CC(O)C=N1;PXENBYILBOOIHR-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194467;MM194467;Cc1cn(N)c(=NO)o1;ZUSFGIIORBYXBD-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194468;MM194468;Nc1c(CO)nnn1N;NYRXIZWJOOMEPX-UHFFFAOYSA-N;129.12;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194469;MM194469;COC(C#CCO)=NN;QYYPDKCQXCTJBB-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194470;MM194470;Nc1cn(N)c(=NO)o1;ATYHARXGOQSURF-UHFFFAOYSA-N;130.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194471;MM194471;CN=c1oc(F)cn1N;YAQPKRXMWOWGOC-UHFFFAOYSA-N;131.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194472;MM194472;C=CC(C)(O)C(N)=CC#N;GWYOKIHGTKFHKN-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194473;MM194473;CCNC(=O)N=CN(C)C;RCWMCDGDHIJGGW-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194474;MM194474;NN=CN(N)C=NC(N)=O;FLMZIIIFKRQYSV-UHFFFAOYSA-N;144.14;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194475;MM194475;Cc1cn(O)c(=NO)o1;VUIAFCIGSFDTKH-UHFFFAOYSA-N;130.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194476;MM194476;C=CNC(=O)N(N)C(=C)C;YOVZVRQCNPHCBI-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194477;MM194477;NN=CC(N)=C(F)C(N)=O;UCBJXJKDVQSCNT-UHFFFAOYSA-N;146.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194478;MM194478;Nc1cn(O)c(=NO)o1;QUMCYNKAFWQCCR-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194479;MM194479;Cc1nc(F)cc(=N)n1O;POYAVBFDVBNWNH-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194480;MM194480;CN(O)C(C#CCO)=NN;XUQZKPDGDOIBCT-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194481;MM194481;CN=c1oc(C)nn1C;PZUMSPISQIDAFC-UHFFFAOYSA-N;127.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194482;MM194482;Cn1c(=O)ncc(=N)n1O;IXYNCSOBMSJQEW-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194483;MM194483;Cn1c(N)cccc1=N;ZDESJBRGHYINNN-UHFFFAOYSA-N;123.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194484;MM194484;Cn1c(F)cccc1=N;PSHYNANUYDVNDT-UHFFFAOYSA-N;126.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194485;MM194485;Cc1cccc(=O)n1C;POAHPUAXLGJEIJ-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194486;MM194486;Cn1c(N)cccc1=O;LRUDTHYTKINLOF-UHFFFAOYSA-N;124.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194487;MM194487;Cn1c(F)cccc1=O;XCTFOLSXSGTSKZ-UHFFFAOYSA-N;127.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194488;MM194488;Nn1c(F)cccc1=O;PDFGITDWKHMRBW-UHFFFAOYSA-N;128.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194489;MM194489;C=Cn1[nH]cc(O)c1=O;TUAYIILPWCLLAG-UHFFFAOYSA-N;126.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194490;MM194490;O=c1c(CO)c[nH]n1O;GQIVLGSBLFGREH-UHFFFAOYSA-N;130.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194491;MM194491;Cn1c(N)cncc1=N;XOVMLAVVVKQFIQ-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194492;MM194492;Cc1cncc(=O)n1C;MVOFQFRALBXVIA-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194493;MM194493;Cn1c(N)cncc1=O;BBOYMJCCCAJDQW-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194494;MM194494;OCc1nc(O)n(O)n1;CSFQYFVXGLCJPH-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194495;MM194495;Cn1c(F)cncc1=O;HICMKPVSEZSKNT-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194496;MM194496;N=c1cncc(N)n1N;KAIJQZDNIYENJH-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194497;MM194497;N=c1cncc(F)n1N;WIJFMPQPJAXALJ-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194498;MM194498;Nn1c(F)cncc1=O;UHDMCYJHUSOLQJ-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194499;MM194499;Nn1ccc(CO)n1;CWCHSWAXMJGQFG-UHFFFAOYSA-N;113.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194500;MM194500;Cn1nnc(=NO)nc1O;UPZACFWPHZHWGJ-UHFFFAOYSA-N;143.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194501;MM194501;Cn1c(N)nccc1=N;GWUXNPQZSDNOOH-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194502;MM194502;Cc1nccc(=O)n1C;AHQSDTAPZOQQBJ-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194503;MM194503;Cn1c(N)nccc1=O;GFSXUEPGKWYEHW-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194504;MM194504;ON=c1c(O)c(O)on1O;UYBAHJRXCBCZBC-UHFFFAOYSA-N;148.07;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194505;MM194505;Cn1nc(O)cnc1=NO;LZKWEXALWRRCLJ-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194506;MM194506;Cc1nncc(=O)n1C;VRJCBOLLDZPCNW-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194507;MM194507;NN=CC1=CCC=C1;IBLPSAKMMTUOHY-UHFFFAOYSA-N;108.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194508;MM194508;N#CCn1cc(O)c(O)n1;QURWRGXREAOECY-UHFFFAOYSA-N;139.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194509;MM194509;Cc1nncc(=N)n1N;DEUWUOUYLMHSID-UHFFFAOYSA-N;125.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194510;MM194510;C#CCn1cc(O)c(O)n1;YOHVHMBIHOQGNH-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194511;MM194511;ON=c1nc(O)[nH]o1;HRSIIPLQUUSIOY-UHFFFAOYSA-N;117.06;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194512;MM194512;Cc1ccnc(=N)n1C;HLBGKDIKRBSUJQ-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194513;MM194513;Cn1c(N)ccnc1=N;NECCRODTBWKIOF-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194514;MM194514;Cn1c(F)ccnc1=N;WOUAMYWAJMSRSY-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194515;MM194515;Cc1ccnc(=O)n1C;DDXRJHKOXRKZAS-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194516;MM194516;Cn1c(N)ccnc1=O;KOLPWZCZXAMXKS-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194517;MM194517;Cn1c(F)ccnc1=O;FFKRZWLNZVNPQF-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194518;MM194518;N=c1nccc(N)n1N;JEYDGQYCJOPSBO-UHFFFAOYSA-N;125.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194519;MM194519;Cn1nc(F)c(=N)nc1O;CUQUTBRTCIEQQE-UHFFFAOYSA-N;144.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194520;MM194520;Nn1c(F)ccnc1=O;LRXSKGWCMKEVSF-UHFFFAOYSA-N;129.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194521;MM194521;Cc1ccnc(=N)n1O;RAKLYHWONAITAQ-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194522;MM194522;Oc1ccnn1O;LZSNYBVSBVGIKU-UHFFFAOYSA-N;100.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194523;MM194523;N=c1nc(O)[nH]oc1=O;VLWOTQNXIPZATR-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194524;MM194524;Cc1cnnc(=N)n1C;FGZLNXAKEZQAFX-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194525;MM194525;Cn1c(N)cnnc1=N;CAVPBJIMYQBPKC-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194526;MM194526;Cn1c(N)cnnc1=O;OSRGDVHGESVZFV-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194527;MM194527;Nc1nn(N)c(O)c1O;HXDRSTXINBYERJ-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194528;MM194528;Cn1c(F)cnnc1=O;DYGPGMKABHGFSN-UHFFFAOYSA-N;129.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194529;MM194529;N=c1nncc(F)n1N;QPIOBGQMWWZRCB-UHFFFAOYSA-N;129.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194530;MM194530;C#CCc1n[nH]c(=NC)o1;XAHMIKMMULAYAH-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194531;MM194531;Nn1c(F)cnnc1=O;TYUMQCBJXQQYDH-UHFFFAOYSA-N;130.08;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194532;MM194532;CCC(C)(O)C=NOC;QAZIXADVXCDQTP-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194533;MM194533;NN=c1o[nH]c(O)nc1=O;GEQZAGPFSVNJKG-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194534;MM194534;Cc1ncnc(=N)n1C;ODGIYPCPPXTEAS-UHFFFAOYSA-N;124.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194535;MM194535;Cn1c(N)ncnc1=N;OCJLEHHTDLGFJB-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194536;MM194536;Cc1ncnc(=O)n1C;JPFPYZHMPUIXDI-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194537;MM194537;CNN=C(C)N(O)C=N;MMUIPNIZTWAKFG-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194538;MM194538;O=c1nccc2[nH][nH]nc1-2;KZMUBYJOEHXHBF-UHFFFAOYSA-N;136.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194539;MM194539;Oc1oc(F)c(F)c1O;WVRXIYCWSPESEZ-UHFFFAOYSA-N;136.05;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194540;MM194540;ON=c1oc(F)c(O)n1O;VDALMKXXIRXQEL-UHFFFAOYSA-N;150.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194541;MM194541;Cc1nnnc(=O)n1C;DNSHVQVJQPASHK-UHFFFAOYSA-N;126.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194542;MM194542;Cn1c(N)nnnc1=O;HXGPPHHOTXFVPP-UHFFFAOYSA-N;127.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194543;MM194543;Oc1nc(CF)nn1O;UPYOYOAWOAIKRE-UHFFFAOYSA-N;133.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194544;MM194544;N#CC(F)=C(F)C=NO;ZQSQJGRRHQLCHA-UHFFFAOYSA-N;132.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194545;MM194545;Nc1noc(=O)n(O)c1=O;GMZAZBVHITZBAG-UHFFFAOYSA-N;145.07;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194546;MM194546;N#CC(CO)C(C=O)=NO;KXPAQGRAHMQJLK-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194547;MM194547;Cc1cccn(C)c1=N;DPEHCVJYXPATBX-UHFFFAOYSA-N;122.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194548;MM194548;Cn1cccc(F)c1=N;BDFDRVYGOCPTFJ-UHFFFAOYSA-N;126.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194549;MM194549;N=c1c(O)cccn1N;OVWPSYNFMWCTLA-UHFFFAOYSA-N;125.13;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194550;MM194550;Cc1cncn(C)c1=N;IWKOSCIFQRABAX-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194551;MM194551;Cn1cncc(F)c1=N;GFBUNRKZSSMWGW-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194552;MM194552;N=c1c(F)cncn1N;UTIRFTFZVRPDEX-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194553;MM194553;Cn1ccnc(F)c1=N;QSEXCMFQWBKZMF-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194554;MM194554;N=c1c(F)nccn1N;SSUFRBLIVSAPMJ-UHFFFAOYSA-N;128.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194555;MM194555;Cn1cnnc(F)c1=N;QRXIVDPKJAJIME-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194556;MM194556;Cc1ccnn(C)c1=N;AAMBFLDJSLAYBN-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194557;MM194557;Cn1nccc(N)c1=N;YVEWYLZPKVZBCE-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194558;MM194558;Cn1nccc(F)c1=N;HTCITDOXZYPUCQ-UHFFFAOYSA-N;127.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194559;MM194559;CC1=CC(=O)C(=N)N1O;WUEPHBSGCGVYSM-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194560;MM194560;Cn1nncc(F)c1=N;DMZDPNDCCIOYOH-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194561;MM194561;Cn1ncnc(F)c1=N;OTKLHIAPJVZSML-UHFFFAOYSA-N;128.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194562;MM194562;N=c1c(F)ncnn1O;ZSNNYQGLBDEIDE-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194563;MM194563;Cn1nnnc(F)c1=N;FOKAIYIVPLXOAL-UHFFFAOYSA-N;129.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194564;MM194564;N=c1c(F)nnnn1O;JEGPKQAJFBOBSX-UHFFFAOYSA-N;131.07;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194565;MM194565;C=c1cccc(C)c1=C;FJSQUODEZRPTMG-UHFFFAOYSA-N;118.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194566;MM194566;C=c1cccc(F)c1=C;XELXRPPJWKCAGE-UHFFFAOYSA-N;122.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194567;MM194567;C=C1C(=N)N=C(C)N1O;HAQIUCYMYAIATP-UHFFFAOYSA-N;125.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194568;MM194568;Cc1nnoc(=O)c1C;CRFMZDKWXHHPPQ-UHFFFAOYSA-N;126.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194569;MM194569;Cc1c(N)nnoc1=O;RFHJDHHHWNBRSF-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194570;MM194570;Cc1c(F)nnoc1=O;KDGAURZKHCNHBG-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194571;MM194571;Cc1nnoc(=O)c1N;PFPDNBKBZGFMII-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194572;MM194572;Nc1nnoc(=O)c1N;JTZHFEMZDCTSGR-UHFFFAOYSA-N;128.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194573;MM194573;Nc1c(O)nnoc1=O;CCYRBPBNKPCOFM-UHFFFAOYSA-N;129.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194574;MM194574;Nc1c(F)nnoc1=O;PUIYLXWURNSRAA-UHFFFAOYSA-N;131.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194575;MM194575;Cc1nnoc(=O)c1F;LHEVBLVRMIKHPT-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194576;MM194576;Nc1nnoc(=O)c1F;JIQQBMIXSJWRFK-UHFFFAOYSA-N;131.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194577;MM194577;O=c1onnc(F)c1F;XGBZQFDBJPDAER-UHFFFAOYSA-N;134.04;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194578;MM194578;Cc1onnc(=N)c1N;KWPKBLNWAMVSLX-UHFFFAOYSA-N;126.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194579;MM194579;Cc1onnc(=O)c1N;RQIMFFDYIYJJTQ-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194580;MM194580;C=Nn1oc(=O)n(O)c1=O;DRPDADDEJCYBPT-UHFFFAOYSA-N;145.07;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194581;MM194581;NC(=O)C#CC(CF)=NO;VKDMJHODOIRIIX-UHFFFAOYSA-N;144.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194582;MM194582;Cc1onnc(=N)c1F;PPSPTUKWIZMWQC-UHFFFAOYSA-N;129.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194583;MM194583;N=C1NC(=CF)CC1=O;UORJUJYCWSOAGV-UHFFFAOYSA-N;128.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194584;MM194584;C#CC(=NO)C(F)C#CC;ARLGTUGHXSEOJG-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194585;MM194585;Cc1onnc(=O)c1F;DEMACSOCLUMMDM-UHFFFAOYSA-N;130.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194586;MM194586;Nc1onnc(=O)c1F;LQRZAFTWZXNEQI-UHFFFAOYSA-N;131.07;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194587;MM194587;CCn1cc(O)c(O)n1;KNWOJCXMCABUFD-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194588;MM194588;Cc1cccc(N)c1F;WFZUBZAEFXETBF-UHFFFAOYSA-N;125.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194589;MM194589;Fc1cncc(F)c1F;OCKWONYIDVFISR-UHFFFAOYSA-N;133.07;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194590;MM194590;C#CC1CNC2CC12N;OWKXSPCDRPHLPL-UHFFFAOYSA-N;122.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194591;MM194591;CC1C2CCC(N)C12C;VSQDZWAGDSTFJV-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194592;MM194592;Cc1cnc(CO)n1C;BJHATSCXXDIEIF-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194593;MM194593;CC1CNC2C(C)C12C;BMCJUKPXGCXWGE-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194594;MM194594;CC1C2NCC(N)C12C;GSIJEAPRICVNJB-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194595;MM194595;CC1C2NCC(F)C12C;XYCUHPCKCIUYMY-UHFFFAOYSA-N;129.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194596;MM194596;CC1C2OCC(N)C12C;LSIKIIHWTYYHON-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194597;MM194597;CC1C=CC2C(C)C12C;FJFJKKLRSFPSTJ-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194598;MM194598;CC1C=CC2C(N)C12C;FEHQXHUHNYSQOO-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194599;MM194599;O=CNC1=CC2CN2C1;IAHSSIYELNYUNQ-UHFFFAOYSA-N;124.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194600;MM194600;CC#CC#CC1CCC1;OIDWXHYEERDCTL-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194601;MM194601;CC#CC#CC1CNC1;ODSRNKLGWLUMEE-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194602;MM194602;CC#CC#CC1COC1;XLXKRFPCIGNAGT-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194603;MM194603;CC#CC#CC1CCN1;KWDGXGHNOORZNH-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194604;MM194604;CC#CC#CC1CCO1;MXIDAEOWCSVKAI-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194605;MM194605;CCCC1CC1CCC;WGTJGRVFECIHRJ-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194606;MM194606;CCCC1CC1CCN;YZVLYBWFYKSFAU-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194607;MM194607;CCC(=NN)C(O)CC;QXRYJSLNLPMBKZ-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194608;MM194608;NCCC1CC1CCN;YIVLMTZTBTXIMX-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194609;MM194609;NCCC1CC1CCO;FMGPRBLCDHIESP-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194610;MM194610;CCN(O)C(CO)=NN;CHEAPPMFMAGZMD-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194611;MM194611;C=CC1C(O)C1ON=C;PEOBTYLUILIHMX-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194612;MM194612;CNCC1CC1CCN;NOUZKTYEKAKWLX-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194613;MM194613;CCCC1CC1COC;OAKWRAOHSGBLRJ-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194614;MM194614;CCCC1CC1NCC;GMLKFUVORVRPSW-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194615;MM194615;CCNC1CC1CCN;KISPQRBEOSANBJ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194616;MM194616;CCNC1CC1CCO;QBXJNFSEZPQANG-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194617;MM194617;CCNC1CC1CNC;SXINDFXTWNACHT-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194618;MM194618;CCNC1CC1COC;NAQUIBMWWNNWNR-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194619;MM194619;CCCC1CC1OCC;DQLLUSHIHQCKSI-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194620;MM194620;CCOC1CC1CCN;PQKVHCJCGHIUSG-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194621;MM194621;CCOC1CC1CCF;IMLOFVJPBVCQHY-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194622;MM194622;CCNC1CC1NCC;VCQLVGXCAVXFHQ-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194623;MM194623;CCNC1CC1OCC;UXTCOMHUEKJVDB-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194624;MM194624;CCCC1NC1CCN;GIMIMFJEJZMSBH-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194625;MM194625;NCCC1NC1CCN;BPUBRWSBYVFQEI-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194626;MM194626;NCCC1NC1CCO;GMFKEQLCXXFULZ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194627;MM194627;NCCC1NC1CCF;QWFIAJJAYAWGHR-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194628;MM194628;CCCC1NC1CNC;LHXFHUSERPELLJ-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194629;MM194629;CNCC1NC1CCN;WYRLPTUJVYKEEV-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194630;MM194630;CNCC1NC1CNC;HWKKQQDKLRAMSW-UHFFFAOYSA-N;129.21;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194631;MM194631;CCCC1OC1CCC;OAPBFTJGJWJJTR-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194632;MM194632;CCCC1OC1CCN;KSRFOOOCSXIWIC-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194633;MM194633;CCCC1OC1CCO;ZPBPLXQYCYTYDC-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194634;MM194634;CCCC1OC1CCF;OHXDCQABRAIYSY-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194635;MM194635;NCCC1OC1CCN;JUROSYYMLFWZOV-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194636;MM194636;NCCC1OC1CCO;ISLWYFSTHZHFEB-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194637;MM194637;NCCC1OC1CCF;XVWWNFYEZPJGHM-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194638;MM194638;CCCC1OC1CNC;QNVRBPGBWUDNIB-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194639;MM194639;CNCC1OC1CCO;CMWLGGPJPOSMLP-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194640;MM194640;CNCC1OC1CCF;WDUFYSMPLGZNLT-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194641;MM194641;CCCC1OC1COC;ZCDAJQKEWXNOLD-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194642;MM194642;COCC1OC1CCN;YQYYPYAXZPYIEJ-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194643;MM194643;COCC1OC1CCO;SLDFDSMEKHMGIH-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194644;MM194644;CCCC1CN1CCN;SHTJPYXEVJGCPH-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194645;MM194645;NCCC1CN1CCN;MCTXNSUZMNBZCO-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194646;MM194646;NCCC1CN1CCO;OIFLPEABNYDRTL-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194647;MM194647;NCCN1CC1CCO;OCEHKHXEJCWMEY-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194648;MM194648;CON=CC(O)CC(C)=O;SGARGTVMZRGOMP-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194649;MM194649;CCON=CC(C)(O)CC;ZDIOIFUWIIAMFP-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194650;MM194650;CNCC1CN1CCN;KMJOGYVDSRTQCR-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194651;MM194651;C=CCC1CC1CCC;MOJUXTLYFXTZMC-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194652;MM194652;CCCC1CC1CC=O;FQLRBJBMNXWAJX-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194653;MM194653;CCCC1CC1CC#N;SMMMOVASMPHPOK-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194654;MM194654;C=CCC1CC1CCN;GOMLWTRTJVDUMJ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194655;MM194655;C=CC(CC(N)=O)=NNC;BNPMFPNBEIDNNZ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194656;MM194656;C#CCCC=NOC(N)=O;RJGKJRCOULTWIT-UHFFFAOYSA-N;140.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194657;MM194657;CC=CC(O)CON=CC;OZMILROJFKIAHH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194658;MM194658;C=CCC1CC1CCF;MHZUXRJUDOYIRE-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194659;MM194659;O=CCC1CC1CCF;ZCDYZTAALFEJFS-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194660;MM194660;N#CCC1CC1CCF;WRPVFCAPEDHXAR-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194661;MM194661;C=CCC1CC1CNC;LSROYEHRMWDDGO-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194662;MM194662;CNCC1CC1CC=O;IIBAJHDPIONBSN-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194663;MM194663;CNCC1CC1CC#N;FWOWMMGUZIMUMC-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194664;MM194664;C=CCC1CC1COC;JPBHCLZXFINALG-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194665;MM194665;COCC1CC1CC#N;OAZZIVLPFHDGFW-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194666;MM194666;CCCC1CC1NC=N;ARNFMXYPLKBWAD-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194667;MM194667;N=C(C=CN)N(O)C=NN;NIDKJDVSRKRFTO-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194668;MM194668;N=CNC1CC1CCN;SCWLRZUTEQOJPC-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194669;MM194669;O=CNC1CC1CCO;IPCDAMCBRJCCPW-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194670;MM194670;C=NNC1CC1CCC;NHKWDIAEFLPZME-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194671;MM194671;C=NNC1CC1CCN;GOPADRNRXKJLEW-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194672;MM194672;N=C(C=CF)N(O)C=NN;VZOADARYIMEOBW-UHFFFAOYSA-N;146.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194673;MM194673;CNCC1CC1NC=O;WWMUPPGPLALXJR-UHFFFAOYSA-N;128.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194674;MM194674;C=COC1CC1CCC;LWIZMVSCXZZFHE-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194675;MM194675;CCCC1CC1OC=O;JLPRTBXDLZITBV-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194676;MM194676;C=COC1CC1CCN;GWOAVYMDZGOMBF-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194677;MM194677;C=NOC1CC1CCC;MFXDYGIJKJITMP-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194678;MM194678;C=NOC1CC1CCN;AYVGKOVUIWYDIM-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194679;MM194679;C=COC1CC1CNC;BXZALGQCNBJZSM-UHFFFAOYSA-N;127.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194680;MM194680;CNCC1CC1OC=O;NWZNSZNTTLOLQD-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194681;MM194681;C=NOC1CC1CNC;FQDHFXGMSCDTIN-UHFFFAOYSA-N;128.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194682;MM194682;CCNC1CC1CC=O;NLBMMJILACYQPW-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194683;MM194683;CCNC1CC1CC#N;LKJJCGZXXAUWAP-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194684;MM194684;CCNC1CC1NC=N;VKFCVOYOAQZNCP-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194685;MM194685;C=NNC1CC1NCC;PZKGTIRJXNFPRW-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194686;MM194686;C=COC1CC1NCC;QRZJALHZXZNIRD-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194687;MM194687;CCNC1CC1OC=O;GMONCFRQYHEKQC-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194688;MM194688;C=CCC1CC1OCC;CWHPTLHIXZGDAS-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194689;MM194689;CCOC1CC1CC=O;OKWDKXOUKXZZKH-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194690;MM194690;CCOC1CC1CC#N;VHPYECSLIWYHSW-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194691;MM194691;CCCC1NC1CC#N;RLOSMGJYTPMHOO-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194692;MM194692;C=CCC1NC1CCN;KDMPTTJTMSFDFG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194693;MM194693;CN=CN(O)C(=N)C=NN;VFQRPXJKYIBGLA-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194694;MM194694;N#CCC1NC1CCF;WRRIUUIPWBPEQN-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194695;MM194695;C=CCC1NC1CNC;YWSYKMCXIWGUPR-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194696;MM194696;CNCC1NC1CC=O;CXQFUJCZSZWFIB-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194697;MM194697;COCC1NC1CC#N;LAOUHFZNZDMLLC-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194698;MM194698;C=CCC1OC1CCC;UHFPILFYDQSRHQ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194699;MM194699;CCCC1OC1CC=O;ZMHBCKZVNCELMC-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194700;MM194700;CCCC1OC1CC#N;RHLJXDHXISIGAL-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194701;MM194701;C=CCC1OC1CCN;KBSZLSIHEGLMPR-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194702;MM194702;C=CCC1OC1CCO;IQNRVBFAEKBTEG-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194703;MM194703;O=CCC1OC1CCO;UJGZVHYDVCAXRS-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194704;MM194704;O=CCC1OC1CCF;GERZBVPCDCQHBX-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194705;MM194705;N#CCC1OC1CCF;RAJFXDYMZLXXLF-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194706;MM194706;C=CCC1OC1CNC;YYXGBBIOVNWKNI-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194707;MM194707;C=CCC1OC1COC;RKUPJZMLWOSZEI-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194708;MM194708;COCC1OC1CC=O;ZESCPPYFTNSACJ-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194709;MM194709;CC#CC(=N)N(O)C=CF;KTMMEFCSBVSERA-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194710;MM194710;CCCC1CN1CC#N;OOPGMPNNPYWTSP-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194711;MM194711;C=CCN1CC1CCN;LZDPFNYNHNRPTM-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194712;MM194712;CCCC(O)C(C)=NNC;BAZQDBKCJIGPOC-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194713;MM194713;C=NN(C=N)C(=N)C(C)O;XTLCPYDFMYSMHS-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194714;MM194714;C#CC(CO)(CO)NN=C;LFBXXDCUSZQNRI-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194715;MM194715;CCCC1CN1NC=N;FCCWIHAIJPPBJR-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194716;MM194716;CCCC1CN1NC=O;RXEJASZLCSJDGL-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194717;MM194717;CNCC1CN1NC=O;OIAYKGFCLZWXPJ-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194718;MM194718;COCC1CN1NC=N;MCBKZKVJRSGUFP-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194719;MM194719;CNC(C#N)(C=CF)CO;HKTKRJFIFGEGQD-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194720;MM194720;CCCN1CC1CC#N;RYCYSBVIZKPLPE-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194721;MM194721;C=CCC1CN1CCN;UYQRNUAQBHVYBF-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194722;MM194722;C=CC1(O)CC1N(N)C=O;RCFFNQABOWIAQO-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194723;MM194723;C=CC1(O)CC1N(C)N=C;HVBNOUQBWQDYHX-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194724;MM194724;N#CCC1CN1CCF;CAPUJIBUXDGFND-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194725;MM194725;C#CCC1CC1CCC;KCFIMJGFTDTRJB-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194726;MM194726;C#CCC1CC1CCN;ZBPRQSFJNJEFKV-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194727;MM194727;NN=C1CCC(F)(CO)C1;QEYKVKNVXDVQRF-UHFFFAOYSA-N;146.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194728;MM194728;C#CCC1CC1CCF;UBXDHYFXEFIWOS-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194729;MM194729;C#CCC1CC1CNC;WMVNREYPLMASAW-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194730;MM194730;C#CCC1CC1COC;XDLNGBVGHAMYSC-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194731;MM194731;C#CCC1CC1NCC;DUUGPSVXJOZLJJ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194732;MM194732;C#CCC1NC1CCN;BYXDKEFUFSLUSL-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194733;MM194733;C#CCC1NC1CNC;UVLXHPHNDGQFEU-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194734;MM194734;C#CCC1OC1CCC;BOTIMRBENFUMCN-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194735;MM194735;C#CCC1OC1CCN;BJAMQPFFZFXJSI-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194736;MM194736;C#CCC1OC1CCO;IMZRUNPMSXOSQG-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194737;MM194737;C#CCC1OC1COC;PGWITOZNBMVPJK-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194738;MM194738;C#CCN1CC1CCC;WFPGCFHJFQMHDD-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194739;MM194739;C#CCN1CC1CCN;GVCVIOXJYOZDTL-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194740;MM194740;CC(C)C1NC1(C#N)CO;QOAHNJJHKIBRFU-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194741;MM194741;C#CCC1CN1CCN;SRMROKNTCSIURU-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194742;MM194742;CC(C)N1CC1(C#N)CO;PDOIUAOZEVFCJG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194743;MM194743;C=CCC1CC1CC=C;CRNXXUCPEXNDPZ-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194744;MM194744;C=CCC1CC1CC=O;ZAGIFPAHPMVKKK-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194745;MM194745;C=CCC1CC1CC#N;IDYRVADXBBVURV-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194746;MM194746;O=CCC1CC1CC=O;IEDVUSHYFMXUCF-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194747;MM194747;N#CCC1CC1CC=O;KNEHJBLOASOKFR-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194748;MM194748;N#CCC1CC1CC#N;LSHFFFKYPMEBFL-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194749;MM194749;C=CCC1CC1NC=N;SJJXYQWZNMTZLC-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194750;MM194750;N=CNC1CC1CC=O;KSUHFFDXTOOVOO-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194751;MM194751;N#CCC1CC1NC=O;OWUPHKXPYGZSFG-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194752;MM194752;CNC(=O)N(N)C(=O)CF;PMNDWJHBAMAFPD-UHFFFAOYSA-N;149.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194753;MM194753;CCN(O)C(=N)C(F)CO;CLFUYGZXQWHDRM-UHFFFAOYSA-N;150.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194754;MM194754;C=CCC1CC1OC=C;IPSDGINVXISTSB-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194755;MM194755;C=CCC1CC1OC=O;LBHCIHNPJIQKOE-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194756;MM194756;C=COC1CC1CC=O;ORNNOHOWFOAELG-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194757;MM194757;O=CCC1CC1OC=O;RCEKUSGGBFKNNS-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194758;MM194758;C=CCC1CC1ON=C;STHJJHFAWHUONZ-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194759;MM194759;CC(=NN)C(=N)N(O)C=N;KDEMCMYERIOUPV-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194760;MM194760;C=NOC1CC1CC#N;QXQWFHPNVIBJEF-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194761;MM194761;N=CNC1CC1NC=N;ADFFZDPHDATDIX-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194762;MM194762;C=NNC1CC1NC=N;NKCWICIHLLWLIV-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194763;MM194763;C=CN(O)C(=N)C#CC=O;FDVNPJDOMIUAFP-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194764;MM194764;C=NNC1CC1NN=C;NBKQVXTWZFELLK-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194765;MM194765;C=COC1CC1NC=N;BPOARIZNGWUICX-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194766;MM194766;C=NOC1CC1NC=N;PNCPVWJLVWKOQP-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194767;MM194767;C=COC1CC1NN=C;COWFTPNALVHMBR-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194768;MM194768;C=NNC1CC1OC=O;HTMGPWVMPCBIGD-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194769;MM194769;C=COC1CC1OC=C;UNKADEXIMANGFB-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194770;MM194770;C=CCC1NC1CC#N;OJNMGTYYGYBVGS-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194771;MM194771;N#CCC1NC1CC#N;JMYKKIMTCNLXCY-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194772;MM194772;C=CCC1OC1CC=C;BPGIEQYYJWBXQW-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194773;MM194773;C=CCC1OC1CC=O;HTRBTYGTONIPLY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194774;MM194774;O=CCC1OC1CC=O;NQUQWEABRCZNCK-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194775;MM194775;N#CCC1OC1CC=O;JTGHGWNHBZOURS-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194776;MM194776;N#CCC1OC1CC#N;HKJIRNPYHWSGFJ-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194777;MM194777;N=CN(O)C(C=CF)=NN;LCKDSGQJDCHSCU-UHFFFAOYSA-N;146.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194778;MM194778;C=CCC1CN1CC#N;MDYBXKDDWLJZJB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194779;MM194779;CN=C(C=NN)N(O)C=N;SIWQVAPIBVVFLX-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194780;MM194780;C=CCN1CC1CC#N;XSXLKPINJAOBSC-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194781;MM194781;C=C1C(=C)N(O)C(=N)C1=O;IGZTXEPTSNBTKF-UHFFFAOYSA-N;138.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194782;MM194782;Cc1ncn(O)c(=N)c1N;YMLCWBVXTUYFGM-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194783;MM194783;C=CCC1CN1NC=N;LDWRRQNSSUKBAU-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194784;MM194784;C=CCC1CN1NC=O;YAWMHZREYMRCHW-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194785;MM194785;O=CCC1CN1NC=O;FQHGQYJUVHJRJN-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194786;MM194786;C#CCC1CC1CC=C;LLDONRGIBXKRGG-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194787;MM194787;C#CCC1CC1CC=O;WYAPEOQFKAXFNV-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194788;MM194788;C#CCC1CC1CC#N;KADGWSHXAWXJHC-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194789;MM194789;C#CCC1CC1NC=N;YAHGVRUVBBECOT-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194790;MM194790;C=Cc1nc(=N)ncn1O;UACVBZYCPXEHSX-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194791;MM194791;C#CCC1CC1NN=C;FOGLNEUKTCTHAH-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194792;MM194792;C#CCC1CC1OC=O;MFBOZFRUECXMKD-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194793;MM194793;C#CCC1CC1ON=C;ZJARUEUBXUDIOZ-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194794;MM194794;C#CCC1OC1CC=C;MQGCHJRWLBJXTI-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194795;MM194795;C#CCC1OC1CC=O;CGYAMCXFKWSVMR-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194796;MM194796;C#CCC1OC1CC#N;FJHZHUWFAXZLEF-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194797;MM194797;C#CCC1CN1CC=C;LBIZOFZZSFWYQN-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194798;MM194798;C#CCC1CN1NC=N;VYNDKQLTWHMTFI-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194799;MM194799;C#CCC1CN1NC=O;UCXQSOVLFGJRHY-UHFFFAOYSA-N;124.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194800;MM194800;C#CCC1CC1CC#C;DOBCDSDREQFGQV-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194801;MM194801;C#CCC1OC1CC#C;PMLUJTIVRISCDP-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194802;MM194802;C#CCC1CN1CC#C;DWALYKFUEFIGHZ-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194803;MM194803;CC=CC1CC1CCC;SKLQZVAWTQFKLO-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194804;MM194804;CCCC1CC1C=CF;BFBOIVFJVFFNDJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194805;MM194805;CC=CC1CC1CCN;PUUVNZCCAOFKIU-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194806;MM194806;NCCC1CC1C=CF;WNMCXJIEODSOQU-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194807;MM194807;C=NNC(=N)C(C#N)C=O;AWBOECUGIMRECG-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194808;MM194808;CC=CC1CC1CCF;JUVPQFQWSBXZSO-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194809;MM194809;CCCC1CC1C=NN;KDUZWHKMXIDXQE-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194810;MM194810;CCCC1CC1C=NO;YBXFNWSKTYJPGO-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194811;MM194811;NCCC1CC1C=NO;ULMIGCUVCDRYGG-UHFFFAOYSA-N;128.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194812;MM194812;CCCN(O)C(CO)=NN;ILWBIWXNYJERRM-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194813;MM194813;OCCC1CC1C=NO;UVQGXSUZXPBALI-UHFFFAOYSA-N;129.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194814;MM194814;CC=CC1CC1CNC;WXZWENVDRIXSRB-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194815;MM194815;CNCC1CC1C=NO;MYVJGOPDLNNSFO-UHFFFAOYSA-N;128.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194816;MM194816;CC=CC1CC1COC;FHVFFZNMLROQSB-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194817;MM194817;CCNC1CC1C=CF;VBIPDELKRATYMQ-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194818;MM194818;CCNC1CC1C=NN;LXUNQIWZJIFECF-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194819;MM194819;CCNC1CC1C=NO;QCAMVEXJPRQYTL-UHFFFAOYSA-N;128.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194820;MM194820;CC=CC1CC1OCC;NGCAKZHEWNYOJA-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194821;MM194821;CC=CC1NC1CCN;SJBPSOXYALOQHC-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194822;MM194822;NCCC1NC1C=CF;VXQVTCROLRTVCQ-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194823;MM194823;CCCC1NC1C=NN;FEPXMAUKZNOERJ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194824;MM194824;C=CC(=NN)N(O)C=NC;RBDOPEOWSDKRNJ-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194825;MM194825;NCCC1NC1C=NO;BEWDYPGNHAPRQO-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194826;MM194826;N#CC1(CO)NC1CCF;FVTIWKHTEFFSCK-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194827;MM194827;NN=CC1NC1CCF;NQWAAVBRBWRSGC-UHFFFAOYSA-N;131.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194828;MM194828;CC=CC1NC1CNC;RNSZXOOZQZHQJD-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194829;MM194829;CNCC1NC1C=NN;SBYCHTLNTJMVFL-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194830;MM194830;CNCC1NC1C=NO;RRLGLZHSGGXROK-UHFFFAOYSA-N;129.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194831;MM194831;CC=CC1OC1CCC;OXOXOIPOGHCUTH-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194832;MM194832;CCCC1OC1C=CF;VEYCCZUPFPIIGR-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194833;MM194833;CC=CC1OC1CCN;LHANNTRYNJGXSX-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194834;MM194834;NCCC1OC1C=CF;BHBNILQCMYFZHE-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194835;MM194835;CC=CC1OC1CCO;XBQRUCJRZNELGX-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194836;MM194836;CC=CC1OC1CCF;RPCDBYMVTBRBFS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194837;MM194837;CCCC1OC1C=NN;XSDSFXQBRIZKCU-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194838;MM194838;CCCC1CN1C=NC;AYAULJPTLREKQP-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194839;MM194839;CCCN1CC1(C#N)CO;RBLHRRQQVOULJJ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194840;MM194840;NCCC1CN1C=NO;QXKXAHXXNRUQQT-UHFFFAOYSA-N;129.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194841;MM194841;CN1CC=CC1(C#N)CO;SPGZAIYFJWJWMO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194842;MM194842;CN=CN1CC1CCF;ZOUDSBFGDRMQMX-UHFFFAOYSA-N;130.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194843;MM194843;CN=CN1CC1CNC;MHEKVPGWTWQDSI-UHFFFAOYSA-N;127.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194844;MM194844;CNCC1CN1C=NN;BNGKIPOYVYJZHF-UHFFFAOYSA-N;128.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194845;MM194845;CC1C2C(=NN)C=CC12O;HUYLRNSZQMZEPM-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194846;MM194846;CC=NN1CC1CCC;XLDIDDZHGZVHDB-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194847;MM194847;C#CCc1cnc(NC)o1;NTUDWDIKGSEDAK-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194848;MM194848;CC=NN1CC1CCF;OZZDQDBHZYCBKX-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194849;MM194849;CC=NN1CC1CNC;GNJWTGOHWFFQRN-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194850;MM194850;CC=NN1CC1COC;HGVDRBPPJRIJKJ-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194851;MM194851;CC=CC1CN1CCN;FEAMNLCMMMLVGB-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194852;MM194852;NCCN1CC1C=CF;RVGRVKVRZJHHTB-UHFFFAOYSA-N;130.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194853;MM194853;C#CCc1coc(NC)n1;CVUVMXNTIZYUBD-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194854;MM194854;CCCN1CC1C=NN;CCJIHOXEIRYIKJ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194855;MM194855;C=CCC1CC1C=CC;GWVQOWVKLLGRPY-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194856;MM194856;C=CCC1CC1C=CF;WZLJGLPGTJYHAK-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194857;MM194857;CC=CC1CC1CC=O;OSIQMBWCPRFAKF-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194858;MM194858;CC=CC1CC1CC#N;WXFYJBITYZFISB-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194859;MM194859;O=CCC1CC1C=CF;RQXGGJWITZSGGW-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194860;MM194860;N#CCC1CC1C=CF;PUICXFIEWORTML-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194861;MM194861;C=CCC1CC1C=NN;GGUBJGPVTRTVJZ-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194862;MM194862;C=CCC1CC1C=NO;CQYOJAHFASKZMJ-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194863;MM194863;O=CCC1CC1C=NO;PUPWJQVDRLGGLP-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194864;MM194864;N#CCC1CC1C=NO;IGBZDSFMSKBXHU-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194865;MM194865;CC=CC1CC1NC=N;LKMXSPIGRCHNFQ-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194866;MM194866;N=CNC1CC1C=CF;YBLWLWMWEXWJFB-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194867;MM194867;CC#Cc1c[nH]c(NC)n1;JMEMANFQQCHXEY-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194868;MM194868;N=CNC1CC1C=NN;WQKMPLMXIVUTBP-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194869;MM194869;N=CNC1CC1C=NO;MQYZMSZNPYANNS-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194870;MM194870;O=CNC1CC1C=NO;DZWLZFVHSXZPQM-UHFFFAOYSA-N;128.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194871;MM194871;C=NNC1CC1C=CC;RADYDBPQDREBRJ-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194872;MM194872;C=NNC1CC1C=CF;VWYIQDXWUVPWIC-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194873;MM194873;C=NNC1CC1C=NN;NIKCFWGXYNBVQY-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194874;MM194874;C=NNC1CC1C=NO;ZQYANUNJJAOFNM-UHFFFAOYSA-N;127.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194875;MM194875;C=COC1CC1C=CC;NUYZVWZWVWYPNO-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194876;MM194876;C=COC1CC1C=CF;BRXNRKVOQWCWRW-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194877;MM194877;CC=CC1CC1OC=O;YJQYMXIDKQXLFL-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194878;MM194878;C=COC1CC1C=NN;IXJGDTAFJZZHAT-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194879;MM194879;C=COC1CC1C=NO;KGPMQZGVHFUYGS-UHFFFAOYSA-N;127.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194880;MM194880;C=NOC1CC1C=CC;SCYLNFRNUPVFPB-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194881;MM194881;C=NOC1CC1C=CF;ULYJAKNQZRQPKK-UHFFFAOYSA-N;129.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194882;MM194882;C=NOC1CC1C=NN;JWMFWHQBDWBONG-UHFFFAOYSA-N;127.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194883;MM194883;C=NOC1CC1C=NO;AVGSLVOGOBWISM-UHFFFAOYSA-N;128.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194884;MM194884;CCNc1c[nH]c(N=O)c1;KPUNNIVXZBOXRU-UHFFFAOYSA-N;139.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194885;MM194885;CC=CC1NC1CC#N;CFTSROUBEFGHRE-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194886;MM194886;CC1Nc2c1cn(N)c2N;VEHMSTZVKPXHGS-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194887;MM194887;C=NNC1CC1C(O)CO;OOKPSFUITCQYQH-UHFFFAOYSA-N;144.17;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194888;MM194888;O=CCC1NC1C=NO;IMVIGBUBJQNUIW-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194889;MM194889;C=CCC1OC1C=CC;XGMWIVFDLIDKDE-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194890;MM194890;C=CCC1OC1C=CF;ANKCCZSLRUHAKZ-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194891;MM194891;CC=CC1OC1CC=O;HZRBEUDPTMJLRA-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194892;MM194892;CC=CC1OC1CC#N;XYVWSFTYSAWBMP-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194893;MM194893;O=CCC1OC1C=CF;WLSMAWHVFNCRLP-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194894;MM194894;N#CCC1OC1C=CF;BIKMPYUTLCUXHB-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194895;MM194895;C=CCC1CN1C=NC;KGKKPNSYAOCBFF-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194896;MM194896;CN=CN1CC1CC=O;FQXPEGYVGQKVTA-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194897;MM194897;CN=CN1CC1CC#N;CZMGMOYPDWSITE-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194898;MM194898;N#CC1(CO)NC1C1CC1;QAACMQDUBCYOLP-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194899;MM194899;CC=NN1CC1CC#N;JWRKWLHCPAYQCC-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194900;MM194900;C=CCN1CC1C=CC;NZBFESIMMRJGHP-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194901;MM194901;C=CCN1CC1C=CF;TVKHBXGBPDPWPF-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194902;MM194902;N#CC1(CO)NC1C1CN1;IXAWIQZKCLMXKO-UHFFFAOYSA-N;139.16;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194903;MM194903;CC=CC1CN1CC#N;OQDSDJXWVBMFKB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194904;MM194904;N#CCN1CC1C=CF;RHBIWYQQIPGKRS-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194905;MM194905;C=CCN1CC1C=NN;IZBUJLYCITYEPD-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194906;MM194906;C=CCN1CC1C=NO;QGJPCXMMEARLFI-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194907;MM194907;CC=CC1CN1NC=N;SZIRKNUURHMSAY-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194908;MM194908;N=CNN1CC1C=CF;FVOXNMHMVJBDAI-UHFFFAOYSA-N;129.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194909;MM194909;CC=CC1CN1NC=O;ORHVFTZLJPSRER-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194910;MM194910;N=CNN1CC1C=NO;CKYXMUTZCRITJM-UHFFFAOYSA-N;128.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194911;MM194911;C#CCC1CC1C=CC;OXDSRRUORBFJMH-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194912;MM194912;C#CCC1CC1C=CF;MMWIEWCXQRCDDB-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194913;MM194913;C#CCC1CC1C=NN;AHUROXOGENVTOP-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194914;MM194914;C#CCC1CC1C=NO;OEUUJSRYLNMLEC-UHFFFAOYSA-N;123.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194915;MM194915;C#CCC1NC1C=CF;UAZHUFLFGMHUGA-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194916;MM194916;C#CCC1NC1C=NO;FALSZRUFDJJCSC-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194917;MM194917;C#CCC1OC1C=CC;RDSRQDDVRDZGEZ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194918;MM194918;C#CCC1OC1C=CF;IFKCNDRVHCTAIA-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194919;MM194919;C#CCC1CN1N=CC;UDCPDBKUXJUNRY-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194920;MM194920;C#CCN1CC1C=CC;QHOYKCYQFMRVPM-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194921;MM194921;C#CCN1CC1C=CF;HJQUHDIXFMYHSV-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194922;MM194922;C#CCN1CC1C=NN;FFLONAZFGQZHLN-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194923;MM194923;C#CCN1CC1C=NO;XQBAPBLNKDFHKB-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194924;MM194924;CC#CC1CC1CCC;WRZWGJFSDWEINS-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194925;MM194925;CC#CC1CC1CCN;QHWFXJYSMPOOGM-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194926;MM194926;N#CC1(CO)NC1C1CO1;DZARGLJXMAHYAD-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194927;MM194927;CC#CC1CC1CCF;FXPIPHCATXDPCN-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194928;MM194928;CC#CC1CC1CNC;YPAIWVGBJGZTQV-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194929;MM194929;CC#CC1CC1NCC;JZHNAGNBVWEIDJ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194930;MM194930;CC#CC1NC1CCC;JOJKXHRJCIRYSR-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194931;MM194931;CC#CC1NC1CCN;FAHQAYZIGUJJTA-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194932;MM194932;N#CC1(CO)CN1C1CC1;MNEWHWBPDCQEBO-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194933;MM194933;CC#CC1NC1CNC;YSSOHZUESTZLMU-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194934;MM194934;CC#CC1OC1CCC;FQPUCDHJYMBTHO-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194935;MM194935;CC#CC1OC1CCN;JYYAOONNCJGHAE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194936;MM194936;CC#CC1OC1CCO;ZBHHCZAQUXLHGL-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194937;MM194937;CC#CC1OC1COC;GMINOMPGSJHPHK-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194938;MM194938;CC#CC1CN1CCC;NKWCGHPAISSQAV-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194939;MM194939;CC#CC1CN1CCN;GIWFDOIYPRLTPT-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194940;MM194940;C=CCC1CC1C#CC;QDYZWLZQAFDOBU-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194941;MM194941;CC#CC1CC1CC=O;YNTPVMLMICXSIH-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194942;MM194942;CC#CC1CC1CC#N;WZPJYTPJUYUQKU-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194943;MM194943;CC#CC1CC1NC=O;NTGJSNGGLFGODZ-UHFFFAOYSA-N;123.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194944;MM194944;C=NNC1CC1C#CC;IQIKBYBNZFQXJJ-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194945;MM194945;C=COC1CC1C#CC;VMDUKQQVAUDEQT-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194946;MM194946;CC#CC1CC1OC=O;JXQUXJUSOULJBU-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194947;MM194947;C=NOC1CC1C#CC;PBRIJGXAVLYPRB-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194948;MM194948;C=CCC1NC1C#CC;KBKIDYLJXLRAEI-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194949;MM194949;CC(O)C(CO)=NN;IVSVNNFZVLTABG-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194950;MM194950;CC#CC1NC1CC#N;ZZAMWJSECSTQBS-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194951;MM194951;C=CCC1OC1C#CC;FDAJDPSBTKOJPI-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194952;MM194952;CC#CC1OC1CC=O;HVBWGIXINAUMTA-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194953;MM194953;CC#CC1OC1CC#N;QJUMENUSJHSQQE-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194954;MM194954;C=CCN1CC1C#CC;YQUQXXLSYWNHDO-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194955;MM194955;CC(O)C#CC1CN1;PKVISEPOAKPXAL-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194956;MM194956;CC#CC1CN1CC#N;FUYOBRWSYYFVOJ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194957;MM194957;CC#CC1CN1NC=N;SHZFEBBVRMQVGJ-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194958;MM194958;C#CCC1CC1C#CC;SXGRYBCLBHQQRR-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194959;MM194959;C#CCC1NC1C#CC;VSIJMMLQIZXLIW-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194960;MM194960;C#CCC1OC1C#CC;ULOYNLDEONIUHB-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194961;MM194961;C#CCN1CC1C#CC;UNSSTKXQKCUDRX-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194962;MM194962;CC=CC1CC1C=CC;TTYIJTXBBRUWBF-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194963;MM194963;CC=CC1CC1C=CF;OBASROLLDJIPDL-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194964;MM194964;CC=CC1CC1C=NN;CRCQJXCCLIVPGJ-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194965;MM194965;CC=CC1CC1C=NO;GGNSACIKIJNCHM-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194966;MM194966;NN=CC1CC1C=NN;OGLRAISTXDWFLH-UHFFFAOYSA-N;126.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194967;MM194967;ON=CC1CC1C=NO;ZHVNSNGQNFMSDG-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194968;MM194968;CC=CC1NC1C=CC;CFLHLVALYOOWJJ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194969;MM194969;CC=CC1NC1C=CF;MKGHOHITWGCYFK-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194970;MM194970;CC=CC1NC1C=NO;WJUFNIXQKBYNBG-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194971;MM194971;NN=CC1NC1C=NN;QRYXBRAVGCFNBD-UHFFFAOYSA-N;127.15;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194972;MM194972;NN=CC1NC1C=NO;ILOWMULDDPFNOG-UHFFFAOYSA-N;128.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194973;MM194973;CC=CC1OC1C=CC;SDTDAXMZBPAFLQ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194974;MM194974;CC=CC1OC1C=NN;LPYUASDXJFQYTL-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194975;MM194975;CC=CC1CN1C=NC;OBBPDSDYMQSRHV-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194976;MM194976;CN=CN1CC1C=CF;AFSXGEBVKVKJGJ-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194977;MM194977;CN=CN1CC1C=NN;YYRPFHBZVGXLPH-UHFFFAOYSA-N;126.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194978;MM194978;CN=CN1CC1C=NO;XARJHCFXYBUTML-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194979;MM194979;CC=CC1CN1N=CC;NXOLJOZFUHZZHD-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194980;MM194980;CC=NN1CC1C=CF;LZOXZADNLATZOK-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194981;MM194981;CC=NN1CC1C=NN;PUBQALWQMVCAFP-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194982;MM194982;CC=NN1CC1C=NO;KUWLCQROZUBRGT-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194983;MM194983;CC#CC1CC1C=CC;PGEQWJPDFVZLKD-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194984;MM194984;CC#CC1CC1C=CF;FLZWMCVOHFPPQZ-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194985;MM194985;CC#CC1CC1C=NN;QTJJWPRTPVXLJZ-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194986;MM194986;CC#CC1NC1C=CC;RCDBTVJLQDJELQ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194987;MM194987;CC#CC1NC1C=CF;SFHAGICQOLLTIS-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194988;MM194988;CC#CC1OC1C=CC;JVPQQZUFIFXFAO-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194989;MM194989;Cc1onc(N)c1F;PATKGGWBNXWYPM-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194990;MM194990;CC#CC1CN1C=NO;OEKXMLDQINXLLI-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194991;MM194991;CC#CC1CN1N=CC;SILKDMWRLMHDKC-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194992;MM194992;CC#CC1CC1C#CC;UKBYVVBDAIJPPA-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194993;MM194993;CC#CC1NC1C#CC;QIAVSFLKWYCFBV-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194994;MM194994;CC#CC1OC1C#CC;KSZPHUNUZXEWSX-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194995;MM194995;CC=Cn1oncc1=N;JEIXGOMHIBSELC-UHFFFAOYSA-N;125.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194996;MM194996;CC=Cn1oncc1=O;XWYDOVHEWDHDCL-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194997;MM194997;O=c1cnon1C=CF;TYFKKRPATLSBEP-UHFFFAOYSA-N;130.08;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194998;MM194998;CN=Cn1oncc1=N;YOAJMTOVXVJPHY-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM194999;MM194999;NN=CC(O)CC(N)=O;UUSLLAKLRWXPNQ-UHFFFAOYSA-N;131.14;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195000;MM195000;N=c1cnon1C=NO;QTZGLJPGTWWODK-UHFFFAOYSA-N;128.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195001;MM195001;CN=Cn1oncc1=O;OIOQRDZRZKAZGG-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195002;MM195002;NN=Cn1oncc1=O;HYIOZTWXBIHPKC-UHFFFAOYSA-N;128.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195003;MM195003;O=c1cnon1C=NO;LVMWJASDMDILGI-UHFFFAOYSA-N;129.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195004;MM195004;CC=Nn1oncc1=N;GPMCPESBLNZQEV-UHFFFAOYSA-N;126.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195005;MM195005;CC=Nn1oncc1=O;CNRIXYOYSKAPIR-UHFFFAOYSA-N;127.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195006;MM195006;N=c1ncon1C=CF;RGRTWGOLIWFRDY-UHFFFAOYSA-N;129.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195007;MM195007;CC=Cn1ocnc1=O;TYBSGEVDZWYKEG-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195008;MM195008;CN=Cn1ocnc1=N;GHBRSHPZVBKQLQ-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195009;MM195009;N=c1ncon1C=NO;GNOZXQFKEJIOMC-UHFFFAOYSA-N;128.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195010;MM195010;CN=Cn1ocnc1=O;NIRMTFGQTRBUHM-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195011;MM195011;NN=Cn1ocnc1=O;CHPUUFPZYGIBAJ-UHFFFAOYSA-N;128.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195012;MM195012;O=c1ncon1C=NO;UZFWQOVCWHANBD-UHFFFAOYSA-N;129.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195013;MM195013;CC=Nn1ocnc1=N;QVSYUGKBALJWKC-UHFFFAOYSA-N;126.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195014;MM195014;CC=Nn1ocnc1=O;YXBGTFUEVIFRKZ-UHFFFAOYSA-N;127.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195015;MM195015;C#CC=c1occc1=C;GGHYMIPXGUNYRP-UHFFFAOYSA-N;118.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195016;MM195016;C=CC=c1ccoc1=C;QHQFUYPWXXISAB-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195017;MM195017;C=c1ocnc1=CC#N;QNJIDTFAMXWVFR-UHFFFAOYSA-N;120.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195018;MM195018;C#CC=c1ccoc1=C;WSLFNRFEKWAEKO-UHFFFAOYSA-N;118.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195019;MM195019;Cc1c(F)c(O)nn1C;QDJIEPFYSLTVRK-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195020;MM195020;C=CC(C#N)(C#N)C=NO;AQHOKVPUHOMPMC-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195021;MM195021;CCC(CC)C1CC1C;FKCFDIDGASGNOS-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195022;MM195022;CC=NOC(=O)NCC;OJFKTSUHIVWFTK-UHFFFAOYSA-N;130.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195023;MM195023;CCC(CC)C1CC1N;GCDUVENHVDKABM-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195024;MM195024;NCC(CO)C1CC1N;WHBAWCORQQBLKV-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195025;MM195025;CC(O)C(F)C(=N)NN;RRCZSPQTUMSWDT-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195026;MM195026;CCC(CN)C1CC1O;HSBFVOSQIKVNFT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195027;MM195027;CCC(CO)C1CC1O;VWGFNFZTFMWOIF-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195028;MM195028;NCC(CN)C1CC1O;ISWSPSURHSEGRM-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195029;MM195029;CCC(CC)C1CC1F;GGLMUBVEQDOLNX-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195030;MM195030;CCC(CN)C1CC1F;LGWKPSULWKYIGI-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195031;MM195031;NCC(CN)C1CC1F;ACOQZIYPSVJVAW-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195032;MM195032;NCC(CO)C1CC1F;PUYYPFKCTMXSSL-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195033;MM195033;NCC(CF)C1CC1F;AHNBBZUOOTYZPQ-UHFFFAOYSA-N;135.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195034;MM195034;CNC(CF)C1CC1N;XPTXKFARZOREPS-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195035;MM195035;CCC(NC)C1CC1O;DLUZTGIDJGNIBL-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195036;MM195036;CNC(CO)C1CC1O;NQPQAKSESQNETO-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195037;MM195037;CCC(NC)C1CC1F;SPAWCPCUZLHMLO-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195038;MM195038;CNC(CO)C1CC1F;ZIZCBCKJHSUGHU-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195039;MM195039;COC(CN)C1CC1C;HFHHXGXMCGLESU-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195040;MM195040;CCC(OC)C1CC1O;DSDPYQZKOIFNHW-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195041;MM195041;COC(CN)C1CC1O;CSPUUBVTOVHZNF-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195042;MM195042;CCN(CC)C1CC1O;NQHVBWMKLPQKKG-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195043;MM195043;CC1NC1C(CN)CN;JTIVFQXALBKHDU-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195044;MM195044;CC1NC1C(CN)CO;VXCMFPRZMDYYPR-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195045;MM195045;CCC(CC)C1OC1C;GQLKKSLAAUOQRI-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195046;MM195046;CCC(OC)C1OC1C;VMFHPIJJBIIKIX-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195047;MM195047;CN1CC1C(CN)CN;UIOZKGALIIAYMA-UHFFFAOYSA-N;129.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195048;MM195048;CNC(CN)C1CN1C;UTMDWNWWKMPBCA-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195049;MM195049;COC(CN)C1CN1C;MCMWOYZWHAHUOQ-UHFFFAOYSA-N;130.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195050;MM195050;CCC(CF)N1CC1C;WFGSHWXCQQFSNN-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195051;MM195051;C=CC(CC)C1CC1C;GVQDVRQUVTYILM-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195052;MM195052;CCC(C#N)C1CC1C;RXDQZDMRKSIMDE-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195053;MM195053;C=CC(CN)C1CC1C;PBIJEMIXGKXWAL-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195054;MM195054;CC1CC1C(C#N)CO;URGKZAMIVREJSC-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195055;MM195055;C=CC(CC)C1CC1N;AIDRAZIHXINTTH-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195056;MM195056;C=CC(O)CON=CC;OFVSGNYJQGEAGB-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195057;MM195057;CCC(C#N)C1CC1O;FRWZLSSWXMPQCE-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195058;MM195058;C=CC(CN)C1CC1O;ZBYUOKJTKMGHLL-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195059;MM195059;N#CC(CO)C1CC1O;QPFMXMYTPLEAGU-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195060;MM195060;C=CC(CF)C1CC1O;UKVYUWAACDWZMF-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195061;MM195061;C=CC(CC)C1CC1F;AHKUAXMMWFIDEV-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195062;MM195062;CCC(C=O)C1CC1F;IXENVRJVAZJKTM-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195063;MM195063;CCC(C#N)C1CC1F;NSWSUZFFUGCJGK-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195064;MM195064;C=CC(CN)C1CC1F;XNARGBHAHDNVLA-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195065;MM195065;C=CC(CO)C1CC1F;ADCJZFXKPWJLCS-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195066;MM195066;N#CC(CO)C1CC1F;YMCXIFSWCFLWND-UHFFFAOYSA-N;129.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195067;MM195067;C=CC(CF)C1CC1F;CDPWSNJNYUFZDJ-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195068;MM195068;N#CC(CF)C1CC1F;HFUVVFQGQGAHMU-UHFFFAOYSA-N;131.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195069;MM195069;CNC(C#N)C1CC1C;YVHXDCHICRFMAM-UHFFFAOYSA-N;124.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195070;MM195070;C=CC(NC)C1CC1N;ZFTUEJRNBMNOKX-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195071;MM195071;C=CC(NC)C1CC1O;MIJQQOYGBUHFEZ-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195072;MM195072;C=CC(NC)C1CC1F;TVVFSBRESMZNRE-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195073;MM195073;CNC(C#N)C1CC1F;ZUHWXBJBMMNAIB-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195074;MM195074;COC(C#N)C1CC1O;BZCXCZQUWIGBHG-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195075;MM195075;C=CC(OC)C1CC1F;CRLRBBQXIWNNBK-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195076;MM195076;COC(C=O)C1CC1F;PEJSNPIGIDMFJN-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195077;MM195077;COC(C#N)C1CC1F;UXDXMNCZEFYQPD-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195078;MM195078;CCN(C=N)C1CC1C;KLKREIKURUEUCF-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195079;MM195079;CCN(C=O)C1CC1C;QTURDAVXLXTUSE-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195080;MM195080;CCN(C=N)C1CC1N;KSXHFJKUAYRBMU-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195081;MM195081;CCN(C=O)C1CC1N;XURAHHPQZCNHES-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195082;MM195082;CCN(C=N)C1CC1O;XVMKVQNCZWUOPV-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195083;MM195083;CCN(C=O)C1CC1O;XUNKJBRRICNNMT-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195084;MM195084;CCN(C=N)C1CC1F;PWGSXMGUARPXCF-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195085;MM195085;CCN(C=O)C1CC1F;KRZNPSNVOCUUJX-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195086;MM195086;C=NN(CC)C1CC1N;VKICGEXEVWQNED-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195087;MM195087;C=NN(CC)C1CC1F;PZUONFZBRPZERL-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195088;MM195088;CNN(C=O)C1CC1N;ASZIYYAPHNKEIM-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195089;MM195089;C=CC1(O)CC1NN=C;PVVPCMOVSJZGQZ-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195090;MM195090;CNN(C=N)C1CC1F;SLINDTMLUVVLBR-UHFFFAOYSA-N;131.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195091;MM195091;CNN(C=O)C1CC1F;YLKGZIRTLWPJJV-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195092;MM195092;CON(C=O)C1CC1N;PSOGMJKTGVGHNC-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195093;MM195093;CON(C=O)C1CC1O;XYGKJOZRNWDXEG-UHFFFAOYSA-N;131.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195094;MM195094;CON(C=O)C1CC1F;PJQDWIVATWMUMS-UHFFFAOYSA-N;133.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195095;MM195095;CCC(C#N)C1NC1C;AONGXWUDRVZLME-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195096;MM195096;C=CC(CN)C1NC1C;GANYDZQFPNPXCA-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195097;MM195097;COC(C#N)C1NC1C;LXKJWFVDPVAZKH-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195098;MM195098;C=CC(CC)C1OC1C;ILWVOXVRVGJITG-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195099;MM195099;CCC(C=O)C1OC1C;ACIYPEZUAKLSOD-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195100;MM195100;CCC(C#N)C1OC1C;DQHKQGWYCJWEQP-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195101;MM195101;C=CC(CO)C1OC1C;GYNUYEZTVZDLLB-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195102;MM195102;CC1OC1C(C#N)CO;UWQRSOCGIIICEH-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195103;MM195103;C=CC(NC)C1OC1C;BVVFVQXUFSOYDO-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195104;MM195104;COC(C#N)C1OC1C;JREDDAICFZGGMF-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195105;MM195105;CCC(C#N)C1CN1C;PTWPCZKXEUURPJ-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195106;MM195106;C=CC(CN)C1CN1C;YHYYJEQAVACSKM-UHFFFAOYSA-N;126.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195107;MM195107;CN1CC1C(C#N)CF;NTOJGIWYGOJERK-UHFFFAOYSA-N;128.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195108;MM195108;CCC(C#N)N1CC1C;CEOOAKFVJSKXHR-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195109;MM195109;C#CC(CC)C1CC1C;OHHSWCUBXKNEFG-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195110;MM195110;C#CC(CN)C1CC1C;NPEFZSRUCAMHCZ-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195111;MM195111;C=CNC(=O)C1(C)CN1;NBXXKXBICPJZPU-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195112;MM195112;C#CC(CC)C1CC1N;WYYOFXLQWLNAGV-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195113;MM195113;CNN=C(CO)C(C)O;ZQWNBDMTMPJDKT-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195114;MM195114;C#CC(CN)C1CC1O;BAZLNVAGGVIYDL-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195115;MM195115;C#CC(CO)C1CC1O;RXYWNEWJQXZPIR-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195116;MM195116;C#CC(CF)C1CC1O;ZSWPIMJCYNTKSN-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195117;MM195117;C#CC(CC)C1CC1F;YSKGRDIWMXUBOB-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195118;MM195118;C#CC(CN)C1CC1F;XBMWCPARIFYJHS-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195119;MM195119;C#CC(CO)C1CC1F;PUSJETFBEZNSDJ-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195120;MM195120;C#CC(OC)C1CC1C;LPNIAPPJULQAOC-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195121;MM195121;C#CC(OC)C1CC1N;LCMVIMQTBUTUGU-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195122;MM195122;C#CC(OC)C1CC1O;AEYIAWGLNMMGIT-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195123;MM195123;C#CC(OC)C1CC1F;WOCPABPBKOQPHW-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195124;MM195124;C#CC(CN)C1NC1C;JXWWYGROUCUXIK-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195125;MM195125;C#CC(CC)C1OC1C;RDDDTFHZBOTQRV-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195126;MM195126;C#CC(CN)C1OC1C;SALAFUPEKWCGBK-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195127;MM195127;C#CC(OC)C1OC1C;DZCGYOWDSYIKOF-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195128;MM195128;C#CC(CN)C1CN1C;ZTMHTKRHOSJCES-UHFFFAOYSA-N;124.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195129;MM195129;C#CC(OC)C1CN1C;LTHNKWSPVKJQEB-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195130;MM195130;C#CC(CC)N1CC1C;OIAWOTOSGBHYHS-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195131;MM195131;C#CC(CN)N1CC1C;GQEPNWRCEKZGDF-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195132;MM195132;C#CC(CF)N1CC1C;INHAZLVSKQQSCK-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195133;MM195133;C=CC(C=C)C1CC1C;KUAXCGDAYCBYMU-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195134;MM195134;C=CC(C#N)C1CC1C;IDJAFJZRVBUVDB-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195135;MM195135;CC1CC1C(C#N)C=O;HGBKYGHGHBZOCA-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195136;MM195136;CC1CC1C(C#N)C#N;CQNPGPONZAOQHR-UHFFFAOYSA-N;120.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195137;MM195137;C=CC(C=C)C1CC1N;QAPCLVYYQNAULS-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195138;MM195138;C#Cc1cc(F)c(N)[nH]1;RSWHWWUFZONNLF-UHFFFAOYSA-N;124.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195139;MM195139;C=CC(C=O)C1CC1O;NBLDXHHRMJYDIG-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195140;MM195140;C=CC(C#N)C1CC1O;BGZIAKZPGGCPJR-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195141;MM195141;N#CC(C=O)C1CC1O;FRDDDRHOMOFNCX-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195142;MM195142;N#CC(C#N)C1CC1O;RBBKVKKFEMVKTO-UHFFFAOYSA-N;122.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195143;MM195143;C=CC(C=C)C1CC1F;IDGPSYHKUSGCLG-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195144;MM195144;C=CC(C=O)C1CC1F;ZUHJAYWRAQNHKZ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195145;MM195145;C=CC(C#N)C1CC1F;GGBKYJPPDZJSEI-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195146;MM195146;N#CC(C=O)C1CC1F;UVTWJKRGSWRFJT-UHFFFAOYSA-N;127.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195147;MM195147;N#CC(C#N)C1CC1F;FMIGLRJBTOKILR-UHFFFAOYSA-N;124.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195148;MM195148;C=CN(C=N)C1CC1C;CNXZXUSVVOAUSS-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195149;MM195149;C=CN(C=O)C1CC1C;SXSVTEYXKJVFMO-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195150;MM195150;CC1CC1N(C=N)C=N;HVMFVISQVCNZDR-UHFFFAOYSA-N;125.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195151;MM195151;CC1CC1N(C=N)C=O;MWNNJHLOPKVKGS-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195152;MM195152;CC1CC1N(C=O)C=O;ZFIKYMMWEQQWEF-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195153;MM195153;C=CN(C=N)C1CC1N;FEWMLLFWOOAIFK-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195154;MM195154;N=CN(C=N)C1CC1N;UXEBIMYVNYZIQS-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195155;MM195155;N=CN(C=O)C1CC1N;AUVBTACNLDVGFA-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195156;MM195156;C=CN(C=N)C1CC1O;AYIKNPLCGPEKPX-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195157;MM195157;C=CN(C=O)C1CC1O;RUOYIRZGRSWWDM-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195158;MM195158;N=CN(C=N)C1CC1O;ZVJIPOQUSDARRN-UHFFFAOYSA-N;127.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195159;MM195159;N=c1cc(F)ncn1O;RBNRDTHMRZGMDL-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195160;MM195160;O=CN(C=O)C1CC1O;UBXPHGBXIDEMRU-UHFFFAOYSA-N;129.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195161;MM195161;C=CN(C=N)C1CC1F;FROKZDGUUPZAMI-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195162;MM195162;C=CN(C=O)C1CC1F;GVQANAMNYCWRMD-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195163;MM195163;N=CN(C=O)C1CC1F;FEKFGFFDQSTRAS-UHFFFAOYSA-N;130.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195164;MM195164;O=CN(C=O)C1CC1F;MPVUUKNVIMYKHG-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195165;MM195165;C=NN(C=O)C1CC1C;YBWQLJFYHFWTKC-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195166;MM195166;C=NN(C=O)C1CC1N;SLJBDCYCDKTRIS-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195167;MM195167;CC1=CC(C=NN)=CC1;RSLWGKSDQOAOOB-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195168;MM195168;CC(O)C#CC1NC1C;CNFXRQGLPWELRH-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195169;MM195169;C=NN(C=N)C1CC1F;CDPFXDGVACIKOH-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195170;MM195170;C=NN(C=O)C1CC1F;WZJNBEAPYIULNZ-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195171;MM195171;C=CC(C#N)C1NC1C;ORARQAHJXWAEMM-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195172;MM195172;C=Cc1n[nH]c(C)c1F;DXLXPJODPNPYHV-UHFFFAOYSA-N;126.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195173;MM195173;CC1NC1C(C#N)C#N;WNEGLSWZSPDUPT-UHFFFAOYSA-N;121.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195174;MM195174;C=CC(C=C)C1OC1C;BEJRRKPFUXWBAQ-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195175;MM195175;C=CC(C=O)C1OC1C;LYSWHWCQGLAJLN-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195176;MM195176;C=CC(C#N)C1OC1C;ZGDRAUCXWKZOQX-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195177;MM195177;N#CC1(CO)C=CCN1;RSQOFRUPCUMYLV-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195178;MM195178;C=CC(C#N)C1CN1C;DQZDKNKQJKDAFT-UHFFFAOYSA-N;122.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195179;MM195179;CN1CC1C(C#N)C#N;QLKBTWZRTZATBU-UHFFFAOYSA-N;121.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195180;MM195180;C=CC(C=C)N1CC1C;JEMVIOSACJHVKA-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195181;MM195181;C=CC(C#N)N1CC1C;NLOAAIRZSGLMRL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195182;MM195182;CC1CN1C(C#N)C#N;PKDKUASJQDGIFY-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195183;MM195183;C=CN(C=N)N1CC1C;OCRDZSOGJOBLQJ-UHFFFAOYSA-N;125.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195184;MM195184;CC1CN1N(C=O)C=O;LHHUFWGGERXUAM-UHFFFAOYSA-N;128.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195185;MM195185;C#CC(C=C)C1CC1C;FHANFCJGXAVNFC-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195186;MM195186;C#CC(C=O)C1CC1C;NVJAQVQKSGKPKO-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195187;MM195187;C#CC(C#N)C1CC1C;FILSBGTVGIDIOV-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195188;MM195188;C#CC(C=C)C1CC1N;QUCFRTNGJOYBEL-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195189;MM195189;C=NOC(C)(C)C(C)(C)O;PCLBYRGDWVSJTQ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195190;MM195190;C#CC(C=O)C1CC1O;YDJSIALXYSNBHB-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195191;MM195191;C#CC(C#N)C1CC1O;WHAPAXDHRHYCTI-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195192;MM195192;C#CC(C=C)C1CC1F;SDAZONWDVVQALX-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195193;MM195193;CNN=CC(O)CC(N)=O;ALQOLMPEQLZXKA-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195194;MM195194;C#CC(C=C)C1OC1C;CMBFOPVIWVOCGR-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195195;MM195195;C#CC(C=O)C1OC1C;KVGLIYNFRCSJQY-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195196;MM195196;CC(O)(CO)CCC=NN;MDFPEYCTQMFWCB-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195197;MM195197;C#CC(C=C)N1CC1C;OCKFSTPYZUFHPL-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195198;MM195198;C=CC(C)(O)C(C)NN=C;YHERTEHIKHFIOW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195199;MM195199;C#CC(C#C)C1CC1C;OBBCSQYIUILQNF-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195200;MM195200;C#CC(C#C)C1CC1N;FMSMOLQTGIJPSD-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195201;MM195201;CN(O)C(=N)C#CC(N)=O;OQEYRMKAJZUNGB-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195202;MM195202;C#CC(C#C)C1CC1F;HRSDCXDJPUBQMJ-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195203;MM195203;C#CC(C#C)C1OC1C;WXVGFCXFKFZGQI-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195204;MM195204;C#CC(C#C)C1CN1C;XXNXUDYFKUHDAJ-UHFFFAOYSA-N;119.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195205;MM195205;C#CC(C#C)N1CC1C;JSBKVFUDKDEREX-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195206;MM195206;CC=C(CC)C1CC1C;DCHKIZIXLHBAKC-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195207;MM195207;C=CC(O)CON=C(C)C;AUQOCBSEYCSUBZ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195208;MM195208;CC=C(CC)C1CC1N;YCOHTBUTDZLSJI-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195209;MM195209;CC=C(CN)C1CC1N;DTAFMJIQOSTIOX-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195210;MM195210;CC=C(CO)C1CC1N;UKYHGQAVISGOEI-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195211;MM195211;COCC(O)CN(N)C=O;YUEPFWLQJLWPJK-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195212;MM195212;CCC(=CF)C1CC1O;ZMMSAPXQOQGVOS-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195213;MM195213;CC=C(CN)C1CC1O;MVOQXNMIPPOYHB-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195214;MM195214;CC=C(CO)C1CC1O;KKZOQHXKFRGDSP-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195215;MM195215;CC=C(CC)C1CC1F;OCGUWUYMCFDACA-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195216;MM195216;CC=C(CN)C1CC1F;QKOPVHCOSVRZFI-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195217;MM195217;CC=C(CO)C1CC1F;UFQSURXUJLELNV-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195218;MM195218;OCC(=CF)C1CC1F;ANGVDQWJBFVXRZ-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195219;MM195219;FC=C(CF)C1CC1F;XHFGGIGDDVZIDK-UHFFFAOYSA-N;136.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195220;MM195220;CCC(=NN)C1CC1F;VELYJQLEDVIJRA-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195221;MM195221;CN=C(NC)C1CC1O;FKJTXXUNFLCGIS-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195222;MM195222;ON=C(NO)C1CC1O;FVHGPRAIUUTSJD-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195223;MM195223;CN=C(NC)C1CC1F;AROQURLPISWDRG-UHFFFAOYSA-N;130.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195224;MM195224;ON=C(NO)C1CC1F;BZMKWOZJKKIASL-UHFFFAOYSA-N;134.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195225;MM195225;CC=C(OC)C1CC1N;OOFCIEWHGJCXSE-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195226;MM195226;CC=C(OC)C1CC1O;XHCYDSZTWBDYIJ-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195227;MM195227;CC=C(OC)C1CC1F;CGISWLDQLMKDJT-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195228;MM195228;COC(=CF)C1CC1F;OXOIWTPBSMTUBO-UHFFFAOYSA-N;134.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195229;MM195229;CC=C(CN)C1NC1C;DFPDXBWZQVKBNW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195230;MM195230;CCC(=NN)C1NC1C;XYKGDOLPRZLNTL-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195231;MM195231;CC=C(CC)C1OC1C;OOZLUWYDNHBKKP-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195232;MM195232;CC=C(CN)C1OC1C;SCMYQGYTAKMCSS-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195233;MM195233;COC(=CF)C1OC1C;AOCDDKNBUBOBQO-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195234;MM195234;CC=C(CC)C1CN1C;ARGMLGFQGXFZMQ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195235;MM195235;C#CC(=N)N(O)C=C(C)F;MADMHIWVOHSXEU-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195236;MM195236;CCC(=NN)C1CN1C;JBDWLDGXXRDNKF-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195237;MM195237;CCC(=NC)N1CC1C;IFTDHUVFZSCGFD-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195238;MM195238;CCC(=NN)N1CC1C;QATBVMVQSMGTDX-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195239;MM195239;C=CC(=CC)C1CC1C;RYGKDEOEERWNCR-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195240;MM195240;CC=C(C#N)C1CC1C;RYVQKLIESHRAFH-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195241;MM195241;CC1CC1C(C#N)=CN;PYMKEVCETQCQGU-UHFFFAOYSA-N;122.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195242;MM195242;CC1CC1C(C=O)=CF;UOKIPYCBWCUAOC-UHFFFAOYSA-N;128.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195243;MM195243;CC1CC1C(C#N)=CF;JFCDJYVZYAVGQX-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195244;MM195244;C=CC(=CC)C1CC1N;DJHVRBRYXDIEAP-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195245;MM195245;C=NOC1CC(F)(CO)C1;QMHLKVKNHQQRAS-UHFFFAOYSA-N;147.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195246;MM195246;C=CC(=CF)C1CC1O;YHUNUSHDJCCYBP-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195247;MM195247;CC=C(C=O)C1CC1O;ICEOAXBDJPVXBX-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195248;MM195248;CC=C(C#N)C1CC1O;PJVWEFOUXIGZJC-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195249;MM195249;NC=C(C=O)C1CC1O;BBLFOMAFAHJLIS-UHFFFAOYSA-N;127.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195250;MM195250;NC=NN=CC(O)CC=O;BGFYGUKYZFNIOP-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195251;MM195251;N#CC(=CF)C1CC1O;XLUWUPFLAVAHBU-UHFFFAOYSA-N;127.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195252;MM195252;C=CC(=CC)C1CC1F;CPUGXYIALWFKOP-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195253;MM195253;C=CC(=CF)C1CC1F;JCFWATDOKZPZCR-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195254;MM195254;CC=C(C=O)C1CC1F;XFGIWEFFUXNDFD-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195255;MM195255;CC=C(C#N)C1CC1F;FZYDQTUAODWAFM-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195256;MM195256;NC=C(C=O)C1CC1F;SSNUXDFISBKRSA-UHFFFAOYSA-N;129.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195257;MM195257;N#CC(=CN)C1CC1F;UYEJNOVUKCHPBX-UHFFFAOYSA-N;126.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195258;MM195258;O=CC(=CF)C1CC1F;JIZBXOPZMIVHHU-UHFFFAOYSA-N;132.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195259;MM195259;N#CC(=CF)C1CC1F;XTVFWZSLQAXROW-UHFFFAOYSA-N;129.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195260;MM195260;C=CC(=NN)C1CC1C;MDUYUYQFZPJKGT-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195261;MM195261;C=CC(=NO)C1CC1N;LNTRAAOVGDKJRZ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195262;MM195262;CN(O)C(=N)N(O)CC#N;HHROVKHRVQSYEU-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195263;MM195263;C=CC(=NO)C1CC1O;NAUHVLQQJSOBKP-UHFFFAOYSA-N;127.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195264;MM195264;CCc1ncc(O)o1;ROINDRLQZQTQNA-UHFFFAOYSA-N;113.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195265;MM195265;C=CC(=NN)C1CC1F;CRECGYPXKXJLNK-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195266;MM195266;C=CC(=NO)C1CC1F;CHQUEDBISHCRRX-UHFFFAOYSA-N;129.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195267;MM195267;N=c1nnc(O)c(CF)o1;RJVFUOZQRAZYAK-UHFFFAOYSA-N;145.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195268;MM195268;CC=C(C#N)C1NC1C;KRAVPMBOOWDMGP-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195269;MM195269;CC1NC1C(C#N)=CN;KUMMKIKDJDSGKH-UHFFFAOYSA-N;123.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195270;MM195270;CC1NC1C(C#N)=CF;OWZQNOXSSPKELH-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195271;MM195271;C=CC(=CC)C1OC1C;GDIGVCKEYHLEET-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195272;MM195272;C=CC(=CF)C1OC1C;HSJPRSOEVFFTIW-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195273;MM195273;CC=C(C=O)C1OC1C;ZECVXLDRFPNSLY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195274;MM195274;CC=C(C#N)C1OC1C;YBPHVTFOVBIEMP-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195275;MM195275;CC1OC1C(C#N)=CN;MPHIAYMYXPMIDS-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195276;MM195276;CC1OC1C(C#N)=CF;JKXZPVLTFMVSPA-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195277;MM195277;C=CC(=CC)C1CN1C;FAHNHRCCYGUSHU-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195278;MM195278;C=CC(=CF)C1CN1C;YIKWZZROHUBXJK-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195279;MM195279;CC=C(C=O)C1CN1C;FXRMNIJRZZMCNI-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195280;MM195280;CC=C(C#N)C1CN1C;DTWYTKBVFPASJW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195281;MM195281;CN1CC1C(C#N)=CN;XFWCIEXAWXGUEF-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195282;MM195282;CN1CC1C(C#N)=CF;ROJBSFJFNKKALT-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195283;MM195283;C=CC(=NN)C1CN1C;LRUWCHGOFFXJLZ-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195284;MM195284;C=CC(=NO)C1CN1C;OMKRWABFPALKQC-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195285;MM195285;C=CC(=NC)N1CC1C;HGSWODHAHNZBAV-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195286;MM195286;C#CC(=CC)C1CC1C;URALNWSQHPNLMU-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195287;MM195287;C#CC(=CF)C1CC1C;GUHMUUWYLIHDOA-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195288;MM195288;C#CC(=CC)C1CC1N;AFZRKNMHUPIFHS-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195289;MM195289;C#CC(=CF)C1CC1N;BZGCCYQWUVRCAQ-UHFFFAOYSA-N;125.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195290;MM195290;N=C(C(N)=O)N(O)C=CF;KGXCFOFUTICUNY-UHFFFAOYSA-N;147.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195291;MM195291;C#CC(=CF)C1CC1O;UMXKTNVFMMNQSE-UHFFFAOYSA-N;126.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195292;MM195292;C#CC(=CC)C1CC1F;MMDLFPFWTHOHJA-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195293;MM195293;C#CC(=CF)C1CC1F;YARBXAWYAXXQTN-UHFFFAOYSA-N;128.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195294;MM195294;C#CC(=NN)C1CC1C;VHDPGRRDHAXBJH-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195295;MM195295;C#CC(=NO)C1CC1C;RLYKWYOQVAUJLF-UHFFFAOYSA-N;123.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195296;MM195296;C#CC(=NO)C1CC1N;FTXGGVLSJHXLJB-UHFFFAOYSA-N;124.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195297;MM195297;C=NNC(=NNC)NN=C;CNZBTIMZVCQUTG-UHFFFAOYSA-N;142.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195298;MM195298;C#CC(=NO)C1CC1O;PLVLSWNPXQJANU-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195299;MM195299;C#CC(=NN)C1CC1F;CZEKSJHRUHKWIR-UHFFFAOYSA-N;126.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195300;MM195300;C#CC(=NO)C1CC1F;KPVVLWPZMHZXTL-UHFFFAOYSA-N;127.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195301;MM195301;C#CC(=CC)C1NC1C;HSIJDCYDAORGQX-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195302;MM195302;C#CC(=CF)C1NC1C;IWANODQEQZDYOX-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195303;MM195303;C#CC(=NN)C1NC1C;KBOABIVBNHVOTJ-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195304;MM195304;C#CC(=NO)C1NC1C;PICGTFYQXPAXHZ-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195305;MM195305;C#CC(=CC)C1OC1C;AZXUWCJIZMFONS-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195306;MM195306;C#CC(=CF)C1OC1C;JGMQYIFSDCJWNJ-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195307;MM195307;C#CC(=NN)C1OC1C;BPDVWSSFYMNEEQ-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195308;MM195308;C#CC(=CC)C1CN1C;AOTRQXSZHVJHBZ-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195309;MM195309;C#CC(=CF)C1CN1C;VTLMESDMWGPRDS-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195310;MM195310;C#CC(=NN)C1CN1C;OUIWEJHFWLHWKZ-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195311;MM195311;C#CC(=NO)C1CN1C;BSMSYNFDMOSDQY-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195312;MM195312;C#CC(=NC)N1CC1C;FBUJFXTUXYOTOW-UHFFFAOYSA-N;122.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195313;MM195313;CCCCCC1CC1C;SSVIRINIJMZEHE-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195314;MM195314;CC1CC1CCCCN;YEBRZXZMOCCDMT-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195315;MM195315;C=CN=C(NN=C)C(C)O;NZGLHGGMTVQRDG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195316;MM195316;CCCCCC1CC1N;UZLYVLHHWYUHNU-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195317;MM195317;NC1CC1CCCCO;QRRWGMNHCWQIJQ-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195318;MM195318;NCCCCC1CC1O;JNJKJECBNRGDBM-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195319;MM195319;C=CC(CC(O)CF)=NN;IQMFMPHZXDYVSE-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195320;MM195320;CN=C(C#CC(N)=O)NO;GUDICHOTFJQZSK-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195321;MM195321;CNCCCC1CC1N;CSACQCPFCGEMCS-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195322;MM195322;CNCCCC1CC1O;WKPGUUOQDGCWIK-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195323;MM195323;COCCCC1CC1C;YJIPPWWDCNWPFB-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195324;MM195324;CCNCCC1CC1C;NZYJGOBKHOZHHO-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195325;MM195325;CCNCCC1CC1O;OOENWRZMFVTEAU-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195326;MM195326;CCOCCC1CC1C;NAMHXNOZRHJQQK-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195327;MM195327;CCOCCC1CC1N;OMIYEXVCZXESJO-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195328;MM195328;CCOCCC1CC1O;NNHIIDVRLVEHBS-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195329;MM195329;CCCNCC1CC1C;CCNVZOFZCFBKQX-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195330;MM195330;CC1CC1CNCCN;JVXWWMBSHOSITN-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195331;MM195331;CC1CC1CNCCO;JDUPNDOONWAUQV-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195332;MM195332;NCCNCC1CC1N;PKULNHRLNWRENR-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195333;MM195333;CCCOCC1CC1C;SHHMMHKRVDNISX-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195334;MM195334;CC1CC1COCCN;AIDOTJCVTSOQBD-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195335;MM195335;CCCOCC1CC1N;DRDMUBDTBLEGHP-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195336;MM195336;NCCOCC1CC1N;SVPMLRFBDLGNJH-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195337;MM195337;CCCOCC1CC1O;NOFVBWQVBJJTNX-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195338;MM195338;NCCOCC1CC1O;NEDMIBBDEGWPJR-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195339;MM195339;NCCOCC1CC1F;VHDOYHRXHLFPGF-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195340;MM195340;CCCCNC1CC1C;UQKHBCXBYRFWDG-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195341;MM195341;CC1CC1NCCCN;AKRVPBMVNNLOOG-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195342;MM195342;CC1CC1NCCCO;JKNCJGPPMLWPHN-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195343;MM195343;CCCCNC1CC1N;AMOOOPJNIPUIRM-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195344;MM195344;CCCCNC1CC1O;DXERMIPQJDKGDN-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195345;MM195345;CCCCOC1CC1C;YFZKMZJXEXTBCA-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195346;MM195346;CCOCOC1CC1C;KSROIMSVTPPRBK-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195347;MM195347;CC1NC1CCCCN;SBXHQUGECTXTDI-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195348;MM195348;CNCCCC1NC1C;FSPBQLDYKWRZIS-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195349;MM195349;CCNCCC1NC1C;UEMSOFVBZMDEJR-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195350;MM195350;CC1NC1COCCN;ZQWHVVYKJNCFKY-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195351;MM195351;CCCCCC1OC1C;SNAUWGUVQBOHMZ-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195352;MM195352;CC1OC1CCCCN;FWPNIAIQSZVZEG-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195353;MM195353;N#CC1(CO)CC(CO)N1;GHXAXDXOGHJIPK-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195354;MM195354;CNCCCC1OC1C;PTIFDSKCNWJBQU-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195355;MM195355;COCCCC1OC1C;KEMIABXSXCLVBH-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195356;MM195356;CCNCCC1OC1C;QSLJXYPIVIXWRK-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195357;MM195357;CCOCCC1OC1C;LPUMBVGMDPOLSP-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195358;MM195358;CC1OC1CNCCN;LQNQNVPMRIKBHB-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195359;MM195359;CCCOCC1OC1C;YZFCPWKPACTHDE-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195360;MM195360;CC1OC1COCCN;OUIYRCMLOXVKQE-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195361;MM195361;CN1CC1CCCCN;SHJVQGRFXIEDFU-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195362;MM195362;CCNCCC1CN1C;HVLSVYLYEPYVAP-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195363;MM195363;CCOCCC1CN1C;YEYUNMJUTRLHJG-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195364;MM195364;CN1CC1CNCCN;DZTXNJJXCXPAFU-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195365;MM195365;CCCOCC1CN1C;MJAPQEIOICFFAY-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195366;MM195366;CN1CC1COCCN;JHSZTJXMVKIIHW-UHFFFAOYSA-N;130.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195367;MM195367;CNCCCN1CC1C;NAPWIFJGMRQZNN-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195368;MM195368;CCOCCN1CC1C;NLSIDKQCFDSVPN-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195369;MM195369;C=CCCCC1CC1C;SPUNXURFCAVYMC-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195370;MM195370;CC1CC1CCCC=O;KRWXYIFAXTZWPZ-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195371;MM195371;CC1CC1CCCC#N;DTNRQPJIYYZEDD-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195372;MM195372;C=CCCCC1CC1N;YXEORBIQCSIXPQ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195373;MM195373;CC1=CC(C#N)(CO)NC1;LBKPGGMHXVNCJS-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195374;MM195374;CN=C(C)N(O)C=NC=N;WFSVNEOSKWHVHE-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195375;MM195375;CN=CN=C(C)N(O)C=N;VLUGCAYBTWAGHW-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195376;MM195376;N#CCCCC1CC1F;OFGXFHDYVGLJOZ-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195377;MM195377;CC1CC1CCNC=N;MLMIHILWOJSUKJ-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195378;MM195378;N=CNCCC1CC1N;SCDBIWFORMOQAJ-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195379;MM195379;CC(=NC=NN)N(O)C=N;DCOZYZVKFOJVKB-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195380;MM195380;C=COCCC1CC1C;WZENNXFEGNQVIT-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195381;MM195381;C=COCCC1CC1N;AXBKGLZKZUOFPH-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195382;MM195382;C=NOCCC1CC1F;KXXRTYIZUIMCDB-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195383;MM195383;C=CCNCC1CC1C;WVBYPWRKCOXADB-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195384;MM195384;CC1CC1CNCC#N;RMFDCOFAWVBBSB-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195385;MM195385;C=CCNCC1CC1N;UIJUXUAFGBWRMF-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195386;MM195386;C=CCNCC1CC1F;VTJZKGULVUDWJM-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195387;MM195387;N#CCNCC1CC1F;VZQJNCJRXJMIBP-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195388;MM195388;CC1CC1CNNC=N;VTBWHZZJDRDOGW-UHFFFAOYSA-N;127.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195389;MM195389;N=CNNCC1CC1N;MNYRHJOBVBBUNI-UHFFFAOYSA-N;128.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195390;MM195390;N=CNNCC1CC1O;JKOBPKNOHVWBGE-UHFFFAOYSA-N;129.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195391;MM195391;N=CNNCC1CC1F;AEWSYWSOLJJLAX-UHFFFAOYSA-N;131.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195392;MM195392;C=CCOCC1CC1C;HOFRGUXUXGTILH-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195393;MM195393;CC1CC1COCC=O;MFQXTLVVZJVIPD-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195394;MM195394;CC1CC1COCC#N;JLCHCONCTJMQRU-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195395;MM195395;C=CCOCC1CC1N;TYPUWMWGKSRNIN-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195396;MM195396;C=CCOCC1CC1O;XWSXOADEGWMYJW-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195397;MM195397;N#CCOCC1CC1O;GPGXPKGISGXIRE-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195398;MM195398;C=CCOCC1CC1F;NCPNAZZNZJYGFY-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195399;MM195399;O=CCOCC1CC1F;IOYVKGCTKKFFQD-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195400;MM195400;N#CCOCC1CC1F;LRGLGIYHAWYLRF-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195401;MM195401;C=CCCNC1CC1C;TWIJEFUCUSFJAH-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195402;MM195402;C=CCCNC1CC1N;OONBIJPDQLHFDT-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195403;MM195403;C=CCCNC1CC1O;CHOJRBQVJKZKLO-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195404;MM195404;C=CCCNC1CC1F;WVQQVZGCDIZYJH-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195405;MM195405;N#CCCNC1CC1F;LORIYTUYYGGHBI-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195406;MM195406;CC1CC1OCCC#N;XYQBICHDRJTRPM-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195407;MM195407;C=CCCOC1CC1N;CHJPNBKYNXIFIH-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195408;MM195408;N#CCCOC1CC1O;KDESWVJTFVGBHA-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195409;MM195409;C=COCOC1CC1C;WIBBAAHSUGNYCR-UHFFFAOYSA-N;128.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195410;MM195410;CC1NC1CNNC=N;ZKEGLQILYRXHRX-UHFFFAOYSA-N;128.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195411;MM195411;C=CCCCC1OC1C;NECLBWVMNKCXFG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195412;MM195412;CC1OC1CCCC#N;BWPAZRDMXJGKPI-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195413;MM195413;CC1OC1CCNC=N;GTMDFRXPBOSWBY-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195414;MM195414;CON=CNCC(F)C=O;HJOHFBMQADUCTJ-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195415;MM195415;C=COCCC1OC1C;BNEYZXFOWDGQQX-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195416;MM195416;C=CCNCC1OC1C;LSFHOIYYUXKADU-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195417;MM195417;CC1OC1CNCC#N;PEYHNCRNSODRED-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195418;MM195418;CC1OC1COCC#N;ISLDMCXUENBZKN-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195419;MM195419;CN1CC1CCCC#N;IHVSGTBWIKQMBF-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195420;MM195420;C=CC(O)CON=CCC;BMKAINFXPMDRFE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195421;MM195421;C=COCCC1CN1C;WEGWBTRJULQXAU-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195422;MM195422;C=NOCCC1CN1C;UFCKLGDCONPTBM-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195423;MM195423;C=CCNCC1CN1C;GLBMKUWYOODSNZ-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195424;MM195424;CN1CC1CNCC#N;YURMSTYQAYWOFI-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195425;MM195425;C=CC=NOCC(O)C=C;NGLSXOXMGKOFLZ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195426;MM195426;C=NNCC1CC1(F)CO;BRUUIBSNZPJBIU-UHFFFAOYSA-N;146.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195427;MM195427;CC1CN1CCNC=N;YRAIRGAJFRRQIB-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195428;MM195428;C=NOCC1CC1(F)CO;KDNHZWHDTFLQMJ-UHFFFAOYSA-N;147.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195429;MM195429;C=COCCN1CC1C;FDIVMKMPRFJYCI-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195430;MM195430;C#CCCCC1CC1C;GUROXTUZYPIASR-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195431;MM195431;C#CCCCC1CC1N;JXTAKOGKACNFIK-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195432;MM195432;NN=CCC1CC1(F)CO;YDDUUZWZWHPSNH-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195433;MM195433;C#CCCCC1CC1F;WQSJWUPROPXHIU-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195434;MM195434;C#CCNCC1CC1C;IZLHYHWFVDSWRT-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195435;MM195435;C#CCNCC1CC1N;PDDZKICPEXGWGA-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195436;MM195436;C#CCNCC1CC1O;MUMASGAGHYRFMH-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195437;MM195437;C#CCNCC1CC1F;ZOEVEVHFJVJPOF-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195438;MM195438;C#CCOCC1CC1C;NFDSOPXQGZRDTL-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195439;MM195439;C#CCOCC1CC1N;DOJGYROKEUHXIA-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195440;MM195440;C#CCOCC1CC1O;PFWHLPWVXKWPQU-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195441;MM195441;C#CCOCC1CC1F;YBFFIVXWWTZNKF-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195442;MM195442;C#CCCNC1CC1C;KNYNNYJRNCOCLH-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195443;MM195443;C#CCCNC1CC1N;KKUDGEHSMRVZDC-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195444;MM195444;C#CCCNC1CC1O;NWBRMUAMXRILNS-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195445;MM195445;C#CCCOC1CC1C;ULGUJHHDNBGNEC-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195446;MM195446;C#CCCOC1CC1N;DBBLEDXNGKRJBZ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195447;MM195447;C#CCCOC1CC1F;ORCIBRLRJXLNLE-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195448;MM195448;C#CCCCC1OC1C;TWFGBAZBZUPABP-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195449;MM195449;C#CCNCC1OC1C;RTSVWBLDGNOVFR-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195450;MM195450;C#CCNCC1CN1C;ZWIWRTMYEZJVBG-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195451;MM195451;CC=CCCC1CC1C;BRJAZMJACNNPEV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195452;MM195452;CC1CC1CCC=CF;VSRANNLPERFCID-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195453;MM195453;CC=CCCC1CC1N;WZOAJYDDCRGRRM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195454;MM195454;NC1CC1CCC=CF;JGFSYZCPVPZALC-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195455;MM195455;C=CC1(O)CC1NN=CC;RJWLQLJPWIXQCH-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195456;MM195456;CC1CC1CCC=NN;HHCRQBGDWGMTTN-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195457;MM195457;NN=CCCC1CC1F;MWNVDGFCWHTFRA-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195458;MM195458;CN=CNCC1CC1C;DRDXAGAAYDJOIX-UHFFFAOYSA-N;126.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195459;MM195459;CC1CC1CN=CNN;HNKWWMPDSVYMRY-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195460;MM195460;CN=CNCC1CC1N;CENXMRJKFKKOOY-UHFFFAOYSA-N;127.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195461;MM195461;NC1CC1CN=CNO;QDZYJPNNZPXZQF-UHFFFAOYSA-N;129.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195462;MM195462;CC=NNCC1CC1C;XKJYDERAYJYCLD-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195463;MM195463;CC=NNCC1CC1N;VDGRUUNSVONXPZ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195464;MM195464;CC=COCC1CC1C;VOMHFRDZXSCNPI-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195465;MM195465;CC=COCC1CC1N;VALPIWDBUTXFOH-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195466;MM195466;CC=COCC1CC1O;YERYPRYQXKGABG-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195467;MM195467;CC=COCC1CC1F;XEGWXJDUEUSJKV-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195468;MM195468;CNN=C(C#CCF)CO;BTGQBLDIJQRCGI-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195469;MM195469;C=CC#CC(CO)=NNC;BMLJOCCZAFQXRX-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195470;MM195470;CCNN=C(CO)C(C)O;LHEOZXYMGUWRDW-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195471;MM195471;CC=NOCC1CC1C;OKUKCJVVPJCNLV-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195472;MM195472;CC=NOCC1CC1N;LNBGWNBJHLBMGS-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195473;MM195473;CN=c1cc(F)ncn1O;JGVVCJZAMWGGSZ-UHFFFAOYSA-N;143.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195474;MM195474;CC=NOCC1CC1F;MOLDOGWZOVIPRO-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195475;MM195475;CC=CCNC1CC1C;AQXDGDXXVXXMPU-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195476;MM195476;NC1CC1NCC=NO;YIMZJQUTADCMLR-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195477;MM195477;CN1C2CC(F)(CO)CC21;VGYVGCGDXMTART-UHFFFAOYSA-N;145.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195478;MM195478;CC1CC1OCC=CF;CEACPLYHIVYTLE-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195479;MM195479;CC1CC1OCC=NN;HOXLIKCZOISJJC-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195480;MM195480;CC1CC1OCC=NO;CRAMFZITIRHIJF-UHFFFAOYSA-N;129.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195481;MM195481;OCCON=C(CO)CO;MQCIJMKQOGBEEZ-UHFFFAOYSA-N;149.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195482;MM195482;NC1CC1ON=CNO;SROBOXYRELGHIU-UHFFFAOYSA-N;131.14;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195483;MM195483;CN=CNCC1NC1C;LYBQRXZUNHHGJD-UHFFFAOYSA-N;127.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195484;MM195484;CC1NC1CN=CNN;NJBXGDVNTLMZNO-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195485;MM195485;CC=NOCC1NC1C;UTAMINJLTHUUOS-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195486;MM195486;CC=CCCC1OC1C;KHJRSYZMQZDLRR-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195487;MM195487;CC1OC1CCC=CF;PAVCWSAKTJXABG-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195488;MM195488;CC1OC1CCC=NN;BYLGGWKLRMHLJI-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195489;MM195489;CC1OC1CCC=NO;XOOUKXOZVXDIMR-UHFFFAOYSA-N;129.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195490;MM195490;CN=CNCC1OC1C;JBFPZOAQYWRUJJ-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195491;MM195491;CC1OC1CN=CNN;AEYYLOPIYXIJFZ-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195492;MM195492;CC=NNCC1OC1C;MXLHJRNCDLIHFX-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195493;MM195493;CC=COCC1OC1C;TXZILFHUJOHQKT-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195494;MM195494;CC=NOCC1OC1C;APGPWHZBTJOQGR-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195495;MM195495;CN=C(NO)N(O)CC#N;YUPAOQADTIBLIN-UHFFFAOYSA-N;144.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195496;MM195496;CN=CNCC1CN1C;KRZWIJNTVFVPQT-UHFFFAOYSA-N;127.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195497;MM195497;CN1CC1CN=CNN;XPCRPQWSRMXUOO-UHFFFAOYSA-N;128.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195498;MM195498;CC=NNCC1CN1C;MLADIPVBYAOUFF-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195499;MM195499;CC=COCC1CN1C;GDYNXVKHGAQDHY-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195500;MM195500;CC=NOCC1CN1C;GGWDFSSEVOQQDB-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195501;MM195501;CC#CCCC1CC1C;CRLIKMFOEMQYGF-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195502;MM195502;CC#CCCC1CC1N;GJTCBGFANPMMAM-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195503;MM195503;COc1cc(=N)n(O)cn1;KSTKXTKKUCDKOK-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195504;MM195504;CC#CCCC1CC1F;GWWOUNHPFCFCPE-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195505;MM195505;CC#CCNC1CC1C;QHGVBRCFIMCPJF-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195506;MM195506;CC#CCNC1CC1N;AVASGNACCCGKEP-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195507;MM195507;CC#CCOC1CC1C;ATUJWWWIZDIHHW-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195508;MM195508;CC#CCOC1CC1F;RLYCYLSPXBCTRE-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195509;MM195509;CC#CCCC1OC1C;WBLAEBOTGNVZEH-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195510;MM195510;CCC=CCC1CC1C;KYYYHKMARKJHFK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195511;MM195511;CC1CC1CC=CCN;PHUGPHDVQXZTTN-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195512;MM195512;CC1CC1CC=CCO;LNHWCZJWSCXDBQ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195513;MM195513;CC1CC1CC=CCF;KMLGXDMQHWMJIZ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195514;MM195514;CCC=CCC1CC1N;GGVGOMVQALFLGW-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195515;MM195515;C#Cc1c[nH]c(CCC)n1;IPWHXAYINRMAKX-UHFFFAOYSA-N;134.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195516;MM195516;CON=CCC1CC1C;SPXPDGIEUPRXQQ-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195517;MM195517;CON=CCC1CC1N;CSYXRYLUZMVCLF-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195518;MM195518;CN1CC1C1CC1(F)CO;VUFCAWSWTAXYBT-UHFFFAOYSA-N;145.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195519;MM195519;CCN=CNC1CC1C;OGSZZIZPCJQWQK-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195520;MM195520;CCN=CNC1CC1N;SDHVXBUUBVONKF-UHFFFAOYSA-N;127.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195521;MM195521;CCN=CNC1CC1F;FYVRWKHHRSPVLG-UHFFFAOYSA-N;130.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195522;MM195522;CCC=NNC1CC1C;OPZOLXOPAZWOSV-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195523;MM195523;Cc1c(NO)n[nH]c1CF;SIXLWGRFPYKYQF-UHFFFAOYSA-N;145.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195524;MM195524;NC1CC1NN=CCO;ATMOAKDUDGDBPM-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195525;MM195525;NC1CC1NN=CCF;JSGQZOYQHMUVNQ-UHFFFAOYSA-N;131.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195526;MM195526;CNc1ncc(C=O)nn1;JMUQFBYIMZNEOM-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195527;MM195527;CCC=NNC1CC1F;FEYYNBOFOFFSKJ-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195528;MM195528;C=C(C)N(O)C(=N)C=O;WLEHKMFKPJMRNB-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195529;MM195529;C=C1CC(F)C(=N)N1O;PDBIYLZAKINDBG-UHFFFAOYSA-N;130.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195530;MM195530;CC(=NC(N)=O)N1CC1;JSUJLXNPNZGYJW-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195531;MM195531;CC1CC1OC=CCF;PBJLLKLGMJOQDG-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195532;MM195532;NCC=COC1CC1N;RKGHRBRLGOVDET-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195533;MM195533;NC1CC1OC=CCF;TWNAOKSYQQJYOV-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195534;MM195534;COC=COC1CC1C;QRVJRKVQYSBTHI-UHFFFAOYSA-N;128.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195535;MM195535;CC1CC1ON=CCN;QTAVNAHFNXNTJH-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195536;MM195536;C=CC1NC(C=C)C1=O;ANWXSNLOAPPODU-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195537;MM195537;N=Cn1ccc(CO)n1;PXQPFUGGWZQNII-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195538;MM195538;COC=NOC1CC1C;QFGISVAGGHOCTK-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195539;MM195539;OCC12C=CC(O)C1N2;QJPXMORCSBNUGJ-UHFFFAOYSA-N;127.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195540;MM195540;CC1NC1CC=CCN;JUXIHGXCOLYKNG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195541;MM195541;CCC=CCC1OC1C;JLZBZZICFBMLKV-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195542;MM195542;CCC=CCN1CC1C;IERHZOUNSSUHPN-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195543;MM195543;CC1CN1CC=CCN;PCAAJTSXGMNUHX-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195544;MM195544;COC=CCN1CC1C;MTCAWJJXWNQSOY-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195545;MM195545;CNN=CCN1CC1C;YNVMLRZRUKRGNH-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195546;MM195546;C=CC=CCC1CC1C;LHQTUIQDWWUYAA-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195547;MM195547;CC1CC1CC=CC=O;LYHITVUMXPRBIE-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195548;MM195548;CC1CC1CC=CC#N;JODOYHRMCDMDOZ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195549;MM195549;C=CC=CCC1CC1N;YFMMHLIFRFREHX-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195550;MM195550;CNN=C(C)CC(O)CF;IDRRBJLBRIWCKR-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195551;MM195551;CCC(=NN)C(C)C(N)=O;SKLKKPVUTVKOOX-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195552;MM195552;CC(O)C(=NC=O)N(C)N;XWNPKUUUDKCDCM-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195553;MM195553;C=CC=CCC1CC1F;JDUUEVWVHXLVCW-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195554;MM195554;N#CC=CCC1CC1F;NTFKBOAZIWIAAE-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195555;MM195555;C=NN=CCC1CC1C;KTJBWAKJCCLCRT-UHFFFAOYSA-N;124.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195556;MM195556;C=NN=CCC1CC1O;QGMWMNFJFRSBQO-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195557;MM195557;C=NN=CCC1CC1F;PRWXGHABTOWQRC-UHFFFAOYSA-N;128.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195558;MM195558;CC1CC1NC=CC=O;YBBKCUBFCNTBIY-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195559;MM195559;CC1CC1NC=CC#N;CNJNXSSJHBCSHM-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195560;MM195560;CNC(C#N)(CO)CC#N;KFHJCVLMBHFEIX-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195561;MM195561;C#CCC(C#N)(CO)NC;ZODOTWLJRQDSJD-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195562;MM195562;C=CC=NNC1CC1C;BUAAUFSQCNZVHU-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195563;MM195563;CC(=O)ON=C(CO)NO;UXUXJKCHNRWXLQ-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195564;MM195564;NN=C(C#CC(N)=O)CF;FAPQHGYQDZZXQH-UHFFFAOYSA-N;143.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195565;MM195565;CC(C#N)N(O)C(=N)CF;YFPRTZUOZIIMMX-UHFFFAOYSA-N;145.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195566;MM195566;C=CC=NNC1CC1F;FPHBEJKYFOYIOS-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195567;MM195567;N#CC=NNC1CC1F;GMXDZXHBONPMQT-UHFFFAOYSA-N;127.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195568;MM195568;C=CC=COC1CC1C;VVJXFQMMQCCORJ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195569;MM195569;CC1CC1OC=CC=O;AWRFRLFWSHXSCF-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195570;MM195570;CC1CC1OC=CC#N;YUKLUUVMRJBERF-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195571;MM195571;C=CC=COC1CC1N;JNHXYZOCFLJQDI-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195572;MM195572;C=CC=COC1CC1O;YTNABOYTZJTOBY-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195573;MM195573;C=CC=COC1CC1F;LVFVVQMDLZCXIY-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195574;MM195574;C=NN=COC1CC1N;WGAYMRZEUPEEEC-UHFFFAOYSA-N;127.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195575;MM195575;C=CC=NOC1CC1C;DWWRVWDAQWTXGT-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195576;MM195576;CC1CC1ON=CC=O;KOURVBZZVUYSRH-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195577;MM195577;C=CC=NOC1CC1N;YEHNRSUYBCAZMP-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195578;MM195578;C=CC=NOC1CC1F;DLNRNLXKFHQHRN-UHFFFAOYSA-N;129.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195579;MM195579;N#CC=NOC1CC1F;LGSHLYMBEIKCOP-UHFFFAOYSA-N;128.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195580;MM195580;C=CC=CCC1OC1C;YXDQXHWUVLDEGG-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195581;MM195581;CC1OC1CC=CC=O;ZSJVPGZCGCOHJM-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195582;MM195582;CC1OC1CC=CC#N;BFFYQDLVLOTWNC-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195583;MM195583;C=NN=CCC1OC1C;SSYZJDWKXOEQJG-UHFFFAOYSA-N;126.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195584;MM195584;CN1CC1CC=CC=O;ADZCXENUKSTOHM-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195585;MM195585;CN1CC1CC=CC#N;LZPSYPZDNODSBA-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195586;MM195586;C=CC=CCN1CC1C;WOBCHVQRUSGUTI-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195587;MM195587;CC1CN1CC=CC=O;AUHBOJXVLWGZNE-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195588;MM195588;CC1CN1CC=CC#N;LFWJWFNKZNMREW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195589;MM195589;C=NN=CCN1CC1C;QSKQYXNMEITYEX-UHFFFAOYSA-N;125.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195590;MM195590;CC1CN1N=CNC=N;KFHQCXZDLHXNJJ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195591;MM195591;CC1CN1N=CNC=O;UXMKXRRIOTZOKN-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195592;MM195592;C=CN(O)C(C#CC)=NN;OUAKNHMQYNZDDV-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195593;MM195593;C#CC=CCC1CC1C;VTGBYUDTRYTRQE-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195594;MM195594;C#CC=CCC1CC1N;FFBZFKIVGLNZNV-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195595;MM195595;C=NN(C(=N)CO)C(N)=O;AKCTXJHBVCAXOD-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195596;MM195596;C#CC=NNC1CC1C;GQOYECSDCVZJBZ-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195597;MM195597;C#CC=NNC1CC1N;RMTIWEARTXZJED-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195598;MM195598;C#CC1N=C(C)N(O)C1=C;KNLDGOUUFYQEKB-UHFFFAOYSA-N;136.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195599;MM195599;C#CC=NNC1CC1F;YPYVPIKOFLYDGD-UHFFFAOYSA-N;126.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195600;MM195600;C#CC=COC1CC1C;UAXUMJWQZGNCAC-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195601;MM195601;C#CC=COC1CC1N;BUEWYUGFKPBWHY-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195602;MM195602;C#CC=COC1CC1F;FCNLLWVXLBYJJM-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195603;MM195603;C#CC=NOC1CC1N;MJYJWHBIVCNMQI-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195604;MM195604;C#CC=NOC1CC1F;XOPMJHLGIOOZBB-UHFFFAOYSA-N;127.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195605;MM195605;C#CC=CCC1OC1C;ULYRVJPREKMPKP-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195606;MM195606;C#CC=CCN1CC1C;ARIXFVAYIKSCAR-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195607;MM195607;CCC#CCC1CC1C;QNGFMMMWJPTDJM-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195608;MM195608;CC1CC1CC#CCN;RYJFEKSLELOIBT-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195609;MM195609;CC1CC1CC#CCO;RIVUPJYHFMDZGP-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195610;MM195610;CC1CC1CC#CCF;YUBSOJMWDSFJDL-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195611;MM195611;CCC#CCC1CC1N;NUJNICRICLLPIC-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195612;MM195612;NCC#CCC1CC1N;VYRWPQWUDNKWMF-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195613;MM195613;NC1CC1CC#CCO;AQQYAWTVYNFQMQ-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195614;MM195614;NC1CC1CC#CCF;QRULSDKONCPANR-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195615;MM195615;C#Cc1nc(=N)ccn1O;OVFGZGBOYPOCSX-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195616;MM195616;NCC#CCC1CC1O;JEOJLEVZFHEZDZ-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195617;MM195617;OCC#CCC1CC1O;YRTWXIYUMYTTKV-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195618;MM195618;NN=C(C=CNC=O)CO;CKWCKPPADJHAAT-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195619;MM195619;CCC#CCC1CC1F;IPUFEGABRBWROZ-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195620;MM195620;NCC#CCC1CC1F;YBCZKSHEQMXZDT-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195621;MM195621;CC1NC1CC#CCN;XMAWPCQZCIHEQD-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195622;MM195622;CCC#CCC1OC1C;CMNTVVQTBXGHDJ-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195623;MM195623;CC1OC1CC#CCN;OBODSRFIAKFSGW-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195624;MM195624;CC1OC1CC#CCO;GUWYORHJOOULTA-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195625;MM195625;CC1OC1CC#CCF;IWNOLLUDHYBYNP-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195626;MM195626;CCC#CCC1CN1C;AXFRATAATVCGRJ-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195627;MM195627;CN1CC1CC#CCN;WNLIMFQFBFWVBG-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195628;MM195628;C#CC(=NN)N(O)C=CC;CBTVSRRGBHVMFO-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195629;MM195629;CN1CC1CC#CCF;AQGYCFMCYGHSNB-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195630;MM195630;CCC#CCN1CC1C;JLKFKCRUSDQIAP-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195631;MM195631;CC1CN1CC#CCN;GXBDFGGYKAPCTM-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195632;MM195632;C=NN=C1CNC(CO)=N1;LWNIUVKIWTYCAH-UHFFFAOYSA-N;140.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195633;MM195633;CC1CN1CC#CCF;NOVSLEBBPOQEIA-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195634;MM195634;C=CC#CCC1CC1C;ZQDKLYIJQHJLDR-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195635;MM195635;CC1CC1CC#CC=O;HOJSLPDVSRGHAR-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195636;MM195636;CC1CC1CC#CC#N;CSLIWBIGFUXFCI-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195637;MM195637;C=CC#CCC1CC1N;MWAHWFJWGYKHJA-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195638;MM195638;C=CC#CCC1CC1O;IOPAHGLXPMWDEE-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195639;MM195639;O=CC#CCC1CC1O;MRKAXYWYDMLMAC-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195640;MM195640;N#CC#CCC1CC1O;OZOWXLQKDRVKTN-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195641;MM195641;C=CC#CCC1CC1F;ZGZFDYOKGVYRDW-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195642;MM195642;O=CC#CCC1CC1F;JSOCGGWPMUFSSC-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195643;MM195643;N#CC#CCC1CC1F;MASQQPPOGTUNFE-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195644;MM195644;C=CC#CCC1OC1C;ZFYAWRNBPYHAQE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195645;MM195645;CC1OC1CC#CC=O;YOFJWRJKGXICLJ-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195646;MM195646;CC1OC1CC#CC#N;BRYWXNZPBJWUEB-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195647;MM195647;C=CC#CCC1CN1C;DUKHKUIVULGGGR-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195648;MM195648;CN1CC1CC#CC=O;NQBUTXOHEFOFFM-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195649;MM195649;CN1CC1CC#CC#N;JZUAQBFHITXYOT-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195650;MM195650;C=CC#CCN1CC1C;WCECSCINJDIOED-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195651;MM195651;CC1CN1CC#CC=O;ALNWPRWXOYXLIE-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195652;MM195652;CC1CN1CC#CC#N;PEPWCCWFKHCTEA-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195653;MM195653;C#CC#CCC1CC1C;JNWOMHILIIAQJJ-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195654;MM195654;C#CC#CCC1CC1N;XGBSBGBRNQROPV-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195655;MM195655;C#CC#CCC1CC1O;AKORHNYWVCEGDB-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195656;MM195656;C#CC#CCC1CC1F;NNHVBKKHVMALKQ-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195657;MM195657;C#CC#CCC1OC1C;PLXXPMLTHHRYML-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195658;MM195658;C#CC#CCC1CN1C;IEQSAPDERMGRHW-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195659;MM195659;C#CC#CCN1CC1C;QNUQZWZTFQXYLI-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195660;MM195660;CCCC=CC1CC1C;BCEIXANNYCKFFW-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195661;MM195661;CC1CC1C=CCCN;KRKSNBALVUVVIU-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195662;MM195662;CCCC=CC1CC1N;XPPFKLBYCIUXPD-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195663;MM195663;NCCC=CC1CC1N;FEVPISQSQULWNM-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195664;MM195664;C=CCc1cnc(NC)o1;QUGHKMWVTUBZSA-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195665;MM195665;CNCC=CC1CC1N;COJSHSWJVPMBPV-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195666;MM195666;CNCC=CC1CC1O;CWBMYZPGMUSESX-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195667;MM195667;COCC=CC1CC1C;MYCZCGQXFQQFDG-UHFFFAOYSA-N;126.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195668;MM195668;COCC=CC1CC1N;IAKIJEAYYXSJSJ-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195669;MM195669;COCC=CC1CC1F;HPEQFJWUQQVCTP-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195670;MM195670;CCOC=CC1CC1C;MMLKOGSSQYNEPR-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195671;MM195671;CCOC=CC1CC1N;JEKGNKZGZHANPG-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195672;MM195672;CCOC=CC1CC1O;WXYFNGUUEZCUFF-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195673;MM195673;CCOC=CC1CC1F;IYUQUHQGPNQAOT-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195674;MM195674;CCNN=CC1CC1C;BLCDDJMUVULAGP-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195675;MM195675;CCNN=CC1CC1N;GVLCDKJMNQZFLW-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195676;MM195676;C#Cc1nc(NC=N)c[nH]1;MOGCNCRBSYSSRQ-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195677;MM195677;CCNN=CC1CC1F;RCDLHAGKBMVOJH-UHFFFAOYSA-N;130.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195678;MM195678;CCON=CC1CC1C;QAQMMPTZSLTAIN-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195679;MM195679;CCON=CC1CC1N;VLALVISSDLTUHY-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195680;MM195680;CC1NC1C=CCCN;ZBVJJPZKKWJOFX-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195681;MM195681;CCNN=CC1NC1C;AJYMPAKHHGXGJX-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195682;MM195682;CCCC=CC1OC1C;IVKXTOJMDQSXJT-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195683;MM195683;CC1OC1C=CCCN;QXEMMTXAIDTKJM-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195684;MM195684;CC1OC1C=CCCO;NNPLOWACPQJQOS-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195685;MM195685;CC1OC1C=CCCF;CGLPOLKHRPIXMU-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195686;MM195686;COCC=CC1OC1C;WNSUECPPMMHYNE-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195687;MM195687;CCNN=CC1OC1C;NVAUSXHDTKWNSF-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195688;MM195688;CCCC=CC1CN1C;HLJPLHYRSUSEHT-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195689;MM195689;CN1CC1C=CCCN;ZTPKHCMARUJOAF-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195690;MM195690;C=NNc1cc(CO)[nH]n1;RYXOERSSIDGJFC-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195691;MM195691;CNCC=CC1CN1C;YATUESITLFRGBI-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195692;MM195692;COCC=CC1CN1C;TTZBUOMHNGWSOD-UHFFFAOYSA-N;127.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195693;MM195693;CCOC=CC1CN1C;YNPGDMJPFLVNCI-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195694;MM195694;CCNN=CC1CN1C;VRSGVGYVZWPOIS-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195695;MM195695;CCON=CC1CN1C;JJGIOTAGIXAQIT-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195696;MM195696;CCCN=CN1CC1C;ZYDYNOLSPSJKOA-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195697;MM195697;CC1CN1C=NCCN;YOXRKANIPXPTCH-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195698;MM195698;CC1CN1C=NCCO;APADAYLVFNKJJZ-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195699;MM195699;CCON=CN1CC1C;FOGCNVHCPGEVBQ-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195700;MM195700;CCCC=NN1CC1C;KEABMQVFHNMSND-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195701;MM195701;CC1CN1N=CCCN;RUDFBOOWTYAHCF-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195702;MM195702;C=CCc1cc(OC)n[nH]1;KUJJSQYTUFHTKH-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195703;MM195703;COCC=NN1CC1C;GBEYILCRLCAZGS-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195704;MM195704;CCOC=NN1CC1C;UVQRIIMWKJZKGR-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195705;MM195705;C=CCC=CC1CC1C;DELUJGDNQMNZNZ-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195706;MM195706;CC1CC1C=CCC=O;ZIIKINPYWNARDR-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195707;MM195707;CC1CC1C=CCC#N;QTFULMWRJOJVBN-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195708;MM195708;C=CCC=CC1CC1N;DCGNVTXAWBVRFP-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195709;MM195709;C=CC1CN1CC(F)C=O;ZYNNUUINYWYEOA-UHFFFAOYSA-N;143.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195710;MM195710;C#CC1CN1CC(F)C=O;NRGIORJCVMLNPM-UHFFFAOYSA-N;141.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195711;MM195711;CNc1[nH]nc(CO)c1C;KNESUHWSPPSYKG-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195712;MM195712;C=CCC=CC1CC1F;AGLKEPCKEJAELO-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195713;MM195713;CC1CC1C=CNC=N;YJEDSFOHICRHQC-UHFFFAOYSA-N;124.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195714;MM195714;CC1CC1C=CNC=O;NYLISESJWDIFCY-UHFFFAOYSA-N;125.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195715;MM195715;N=CNC=CC1CC1N;RQXXPGICVYZKLT-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195716;MM195716;N=CNC=CC1CC1O;KGPHBPXNKKKLST-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195717;MM195717;C=COC=CC1CC1C;ODXXFPBZQWDQTL-UHFFFAOYSA-N;124.18;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195718;MM195718;CC1CC1C=COC=O;VMARFRLGKLEGHV-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195719;MM195719;C=COC=CC1CC1N;AUBCTWPULGFPKS-UHFFFAOYSA-N;125.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195720;MM195720;CC1CC1C=NNC=O;GRNRTQKLCVPQNU-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195721;MM195721;N=CNN=CC1CC1N;IQXYHFJLOVEKNG-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195722;MM195722;CC1CC1C=NOC=O;GKXZYLCZEMLJNS-UHFFFAOYSA-N;127.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195723;MM195723;C=CNC=NC1CC1C;PHHARRQHWAYRRZ-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195724;MM195724;CC1NC1C=CNC=N;JOENWTOVYNBUPF-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195725;MM195725;C=CCC=CC1OC1C;CYRCFOIVNGQMBA-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195726;MM195726;CC1OC1C=CCC#N;BGZDNCQPVXWHMF-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195727;MM195727;CC1OC1C=CNC=N;ZNIRUQJHHZVPND-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195728;MM195728;C=COC=CC1OC1C;IQGCSCLEEMVSOL-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195729;MM195729;CC1OC1C=COC=O;CCLWYIQOQYYHOD-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195730;MM195730;C=CCC=CC1CN1C;ODZLTHUOCGXCQO-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195731;MM195731;C#CC1NC1C(=O)NC=C;OBQCOFHHIUCQQN-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195732;MM195732;CN1CC1C=CCC#N;DEEUGRCMKCDORF-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195733;MM195733;CN1CC1C=CNC=N;LDTMXXXADUBUGT-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195734;MM195734;NN=C(C#CC1CO1)CO;DTFDDNWTCNOKSJ-UHFFFAOYSA-N;140.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195735;MM195735;C=COC=CC1CN1C;HYGFVZUYYZEYPT-UHFFFAOYSA-N;125.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195736;MM195736;NN1CC(=O)OC1=O;SOINMOFEUIXUDK-UHFFFAOYSA-N;116.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195737;MM195737;C=CCN=CN1CC1C;IYDHRNADBIYKCN-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195738;MM195738;CC1CN1C=NNC=O;LXMOWNXIZVQSOM-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195739;MM195739;CC1CN1C=NOC=O;OEUPCCFBTAOQDE-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195740;MM195740;C=CCC=NN1CC1C;SYILUMOVFINAIK-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195741;MM195741;NN=CCC(O)CF;WUKWRQKTKUERSZ-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195742;MM195742;CC1CN1N=CCC#N;BWESGWVYKDDXPC-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195743;MM195743;C=COC=NN1CC1C;GUNKQWOMUNSYEX-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195744;MM195744;C=NOC=NN1CC1C;JORDFSAVZVFEIT-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195745;MM195745;C#CCC=CC1CC1C;ZPDFRLAETGFSKG-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195746;MM195746;C#CCC=CC1CC1N;WCMYSNSKQIJYRA-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195747;MM195747;O=CC(F)CN1CC1;VXBDMWVCEWZGIM-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195748;MM195748;C#CCC=CC1OC1C;ZIUZFVLXPAUJGE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195749;MM195749;C#CCC=CC1CN1C;XRELAMLQKCRHSY-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195750;MM195750;C#CCC=NN1CC1C;ZJEFLIVAQBNGPG-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195751;MM195751;CC=CC=CC1CC1C;FGJBJDBGYJYUFO-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195752;MM195752;CC1CC1C=CC=CF;WWPYKOYBGFIROD-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195753;MM195753;CC=CC=CC1CC1N;QDKOEJLBTUMHFU-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195754;MM195754;CC(=NOC(N)=O)NN;UTOFBCMFNOXOJL-UHFFFAOYSA-N;132.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195755;MM195755;CC=CC=CC1CC1F;MDVVOMWUVXTNOV-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195756;MM195756;CC1CC1C=CC=NN;GLIIFBHYLQPNFI-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195757;MM195757;NC1CC1C=CC=NO;UENWANAZSNIEKU-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195758;MM195758;ON=CC=CC1CC1O;IIOGJGUZJGCGAP-UHFFFAOYSA-N;127.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195759;MM195759;CC=NN=CC1CC1C;IKECRUMGIJGSQN-UHFFFAOYSA-N;124.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195760;MM195760;CC=NN=CC1CC1N;FMOWHVMUGKDWRK-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195761;MM195761;CC=NN=CC1CC1F;KGCFMILOZGXACL-UHFFFAOYSA-N;128.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195762;MM195762;CC=NN=CC1NC1C;IIXCZGAGCKGNQF-UHFFFAOYSA-N;125.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195763;MM195763;CC=CC=CC1OC1C;QNUHUYHYUVQPJS-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195764;MM195764;CC1OC1C=CC=NN;OHKKSKZBVYTTAV-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195765;MM195765;CC1OC1C=CC=NO;OPBKBQVTRDBNMP-UHFFFAOYSA-N;127.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195766;MM195766;CC=NN=CC1OC1C;DLJOCNDRRDQKKH-UHFFFAOYSA-N;126.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195767;MM195767;CC=CC=CC1CN1C;AWPWBSIHTACLAK-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195768;MM195768;CC=NN=CC1CN1C;QGJJEKKTHYWTSU-UHFFFAOYSA-N;125.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195769;MM195769;CC(O)C(=N)N(N)C=O;ZFLXCFPKUVOXCU-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195770;MM195770;CC1CN1C=NC=NO;VEOGCZSREBHCDP-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195771;MM195771;CC=NN=CN1CC1C;JXXQBZDRZWZHGE-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195772;MM195772;CC=CC=NN1CC1C;GCUFBHFYCKCFLM-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195773;MM195773;CC1CN1N=CC=CF;UPFYVHJBNJFHPE-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195774;MM195774;CC1CN1N=CC=NO;OYKGCGXXCQJMFS-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195775;MM195775;CC#CC=CC1CC1C;AKSWAZYOIVGNLX-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195776;MM195776;CC#CC=CC1CC1N;DNRMEMQYYUSIDM-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195777;MM195777;CNN=CCC(O)CF;XMKCOSKGDYIPIN-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195778;MM195778;CC#CC=CC1OC1C;NOOLFAQDXNKZJR-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195779;MM195779;CC#CC=CC1CN1C;LFFWTNKDEFGWFP-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195780;MM195780;CC#CC=NN1CC1C;GPENUOGXWWJOTB-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195781;MM195781;CCCC#CC1CC1C;RUHSOMHWLCYFRB-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195782;MM195782;CC1CC1C#CCCN;QIZWYXYGQSGYFP-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195783;MM195783;CC1CC1C#CCCO;HJKZVYZWXQXQJR-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195784;MM195784;CCCC#CC1CC1N;NIJSUECGIDAQRF-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195785;MM195785;NCCC#CC1CC1N;DXFRNDHPQLHQND-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195786;MM195786;NC1CC1C#CCCO;BOAULYBRAZGFGS-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195787;MM195787;NC1CC1C#CCCF;YELNJWSFMBHFKW-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195788;MM195788;CCCC#CC1CC1O;GDSKDUWNGZRXAI-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195789;MM195789;NCCC#CC1CC1O;LLMLNYGKSXZBGO-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195790;MM195790;OCCC#CC1CC1O;ONUZLXLQGJEHRQ-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195791;MM195791;OC1CC1C#CCCF;GQMFOPOJHDCXTL-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195792;MM195792;CCCC#CC1CC1F;KUHQPMCGRMTESX-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195793;MM195793;NCCC#CC1CC1F;GZRDCFABKDIEAI-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195794;MM195794;CNCC#CC1CC1C;UYWJFDNCWUBEMV-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195795;MM195795;CNCC#CC1CC1N;BRYNDERDGOAZOI-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195796;MM195796;CNCC#CC1CC1O;GJYDCEPPGVZVBX-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195797;MM195797;CNCC#CC1CC1F;ASZSZDCKDULEKM-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195798;MM195798;COCC#CC1CC1C;KHEBLYDTESTKRA-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195799;MM195799;COCC#CC1CC1N;JNHGMBOOFVTGSC-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195800;MM195800;CCCC#CC1NC1C;NYWKHAURMGXGCP-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195801;MM195801;CC1NC1C#CCCN;IAPYAYDKAQQHAH-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195802;MM195802;CON=CCC(O)CF;GAEUZQSWZMAQMC-UHFFFAOYSA-N;135.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195803;MM195803;CC1NC1C#CCCF;QQJJLUFLKQKFLS-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195804;MM195804;CNCC#CC1NC1C;IHZPWSQXEBFGIE-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195805;MM195805;CCCC#CC1OC1C;AWODTPXHYOPAGG-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195806;MM195806;CC1OC1C#CCCN;AAAUGNPKVJKBPZ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195807;MM195807;CC1OC1C#CCCO;LBTIILXCVIPYCE-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195808;MM195808;CNCC#CC1OC1C;OZORIBONZUZTLG-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195809;MM195809;CCCC#CC1CN1C;ZELLJNONKQXZKG-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195810;MM195810;CN1CC1C#CCCN;MCLZKJOAGBRKCX-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195811;MM195811;C=C(NC=O)C1(C)CN1;UZVRIJXACGTDII-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195812;MM195812;CNCC#CC1CN1C;DMYQJKJEBHOMAY-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195813;MM195813;C=CCC#CC1CC1C;SNNKAJUJOYFPAD-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195814;MM195814;CC1CC1C#CCC=O;JZCWQSPYNZIZLF-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195815;MM195815;CC1CC1C#CCC#N;AZEMWJPDZNENQF-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195816;MM195816;C=CCC#CC1CC1N;QLEYSQDFZWKNJM-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195817;MM195817;C=CCC#CC1CC1O;WGFWCIXGWTZYOP-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195818;MM195818;O=CCC#CC1CC1O;MNMLRTNGZRSRGL-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195819;MM195819;N#CCC#CC1CC1O;UOPOANXOYNIKPV-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195820;MM195820;C=CCC#CC1CC1F;HKUFMBGMCCMOLQ-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195821;MM195821;O=CCC#CC1CC1F;DYJPOURJYVZWPN-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195822;MM195822;N#CCC#CC1CC1F;JGDVJKLHILWDHR-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195823;MM195823;C=CCC#CC1NC1C;KDNBIYYEMZMADF-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195824;MM195824;CC1OC(=N)N(O)C1C;NSHHVEGEVLCPMY-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195825;MM195825;C=C1CC(=C)N(N)C1=O;RHJGVUNCXFHSKW-UHFFFAOYSA-N;124.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195826;MM195826;C=CCC#CC1OC1C;IMSQTDIJEMAMNV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195827;MM195827;CC1OC1C#CCC=O;QSZHFQFRRBDDLF-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195828;MM195828;CC1OC1C#CCC#N;JVLPPKRGOLXJRG-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195829;MM195829;C=CCC#CC1CN1C;KBZUYSDWQFTISX-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195830;MM195830;C=C1C(F)=CC(=N)N1O;LJPDINNVWJYVRE-UHFFFAOYSA-N;128.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195831;MM195831;C=C1C=C(F)C(=N)N1O;INDIYURHJJJQNR-UHFFFAOYSA-N;128.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195832;MM195832;C#CCC#CC1CC1C;SNSPDEVVJLEIQA-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195833;MM195833;C#CCC#CC1CC1N;HZOWSQMAYNEQJG-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195834;MM195834;C#CCC#CC1CC1O;INGQWCLUQRMDCM-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195835;MM195835;C#CCC#CC1CC1F;USQKLNHYPKKDOJ-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195836;MM195836;C#CCC#CC1NC1C;FKVUOXHICZDKPQ-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195837;MM195837;C#CCC#CC1OC1C;MUGHVXWYJIHHCG-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195838;MM195838;C#CCC#CC1CN1C;FDUBYAHGWHHGJS-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195839;MM195839;CC=CC#CC1CC1C;MJWAVGHDLYHPQB-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195840;MM195840;CC1CC1C#CC=CF;JHJFVKVMLKTRAX-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195841;MM195841;CC=CC#CC1CC1N;IYYZVOTVWXOLMR-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195842;MM195842;NC1CC1C#CC=CF;QLEXQTJXHFRFFU-UHFFFAOYSA-N;125.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195843;MM195843;CC=CC#CC1CC1O;ZXGLHUHQIQHSME-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195844;MM195844;CC=CC#CC1CC1F;KGMYLIKTYOEVOK-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195845;MM195845;CC1CC1C#CC=NN;XACNEONLFYVOFS-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195846;MM195846;CC1CC1C#CC=NO;QKLUCROPPGWTKT-UHFFFAOYSA-N;123.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195847;MM195847;NC1CC1C#CC=NO;UBDLHUUAMGBNBY-UHFFFAOYSA-N;124.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195848;MM195848;CC1CN1CC(F)C=O;GYLQQNVQJSTSKF-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195849;MM195849;ON=CC#CC1CC1O;UJKSQBAWPINONC-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195850;MM195850;N=C1NC(NN)=NC1=O;NGPACRVFPZWRLO-UHFFFAOYSA-N;127.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195851;MM195851;ON=CC#CC1CC1F;WDOHBMUOLJFHDT-UHFFFAOYSA-N;127.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195852;MM195852;CC=CC#CC1NC1C;KBLZPNBJOQVRBH-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195853;MM195853;CC1NC1C#CC=CF;LPYXOGDATCCDEX-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195854;MM195854;CC1NC1C#CC=NN;WMFFUMKTGMJKHS-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195855;MM195855;Cc1cc(CO)nn1N;GFOMRYGIGXLHGO-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195856;MM195856;CC=CC#CC1OC1C;ZOBBYFJNCIKTPF-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195857;MM195857;C#CCc1cnc(N)o1;UKTZLLOLFFIEKH-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195858;MM195858;CC=CC#CC1CN1C;YWWYXQBVAOVIBD-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195859;MM195859;CN1CC1C#CC=NN;CTPYXEIGWPVEEY-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195860;MM195860;CN1CC1C#CC=NO;VKXUYVMVQHIFTA-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195861;MM195861;CC#CC#CC1CC1C;CHWOPSIQGXIETK-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195862;MM195862;CC#CC#CC1CC1N;RUCDKFPBVJSSHD-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195863;MM195863;CC#CC#CC1CC1O;APUWROQQYXSQFM-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195864;MM195864;CC#CC#CC1CC1F;MSMVPJNISWLCSA-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195865;MM195865;CC#CC#CC1NC1C;AVSDZROZFPAKQF-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195866;MM195866;CC#CC#CC1OC1C;MESXYQLOGBXMPS-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195867;MM195867;CC#CC#CC1CN1C;OBFIRVPVTYGYGJ-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195868;MM195868;CCC1C(C)C1C(C)C;XAWIIWMBFVXZON-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195869;MM195869;CC(C)C1C(C)C1CN;GLPZUOLXLXTJAN-UHFFFAOYSA-N;127.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195870;MM195870;CC(O)C#CCN1CC1;YEZVBXAPTZQGIH-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195871;MM195871;CC12CC1N(O)C(=N)O2;UVYRFUHBRKQOAI-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195872;MM195872;CC(O)C1C(C)C1CN;BOEXYKVQKFUDKR-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195873;MM195873;CC(O)C1C(C)C1CF;BWSXVFWGIHIYJN-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195874;MM195874;CCC1C(C)C1C(C)F;JECNGMZMJMOVNL-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195875;MM195875;CC(C)C1C(N)C1CN;MEODESFAWNYTMD-UHFFFAOYSA-N;128.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195876;MM195876;CC(F)C1C(N)C1CN;RKMSEVNTSVBHQT-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195877;MM195877;CC(C)C1C(O)C1CN;PNBFLPLGDLZOIF-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195878;MM195878;CCC1C(O)C1C(C)O;ABDDGTMPZYZWQC-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195879;MM195879;CC(O)C1C(O)C1CN;IYTXBRCDXYODGR-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195880;MM195880;CNC1C(N)C1C(C)C;AISAXJSWMLLTMQ-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195881;MM195881;CNC1C(N)C1C(C)N;UXXJJQRHQFXJMA-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195882;MM195882;CNC1C(O)C1C(C)C;XJUFYNZUBBQPBH-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195883;MM195883;CNC1C(O)C1C(C)N;OTUJMLNIFQMKEH-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195884;MM195884;CNC1C(O)C1C(C)F;FDLKVZORMHKATQ-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195885;MM195885;COC1C(C)C1C(C)N;WKCFNJUOYPFTFC-UHFFFAOYSA-N;129.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195886;MM195886;C=CC1C(C)C1C(C)C;KLRAHQUGNBJNEX-UHFFFAOYSA-N;124.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195887;MM195887;CC(C)C1C(C)C1C=O;ZDWTYPNKUWZGHX-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195888;MM195888;CC(C)C1C(C)C1C#N;NDOQQFRJYOQXQV-UHFFFAOYSA-N;123.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195889;MM195889;CCON=C(CO)NO;HONGQOVZWHQAHA-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195890;MM195890;CC(O)C1C(C)C1C=O;UWUCEQOKFZKXBU-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195891;MM195891;CC(O)C1C(C)C1C#N;WODSORNEVUYGMU-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195892;MM195892;CC(C)C1C(O)C1C#N;WRSYPSUQNSHOGP-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195893;MM195893;C=CC1C(O)C1C(C)O;MTHFNHGRBGXOJF-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195894;MM195894;CC(F)C1C(C#N)N1C;KDAUJSHCRXBFNO-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195895;MM195895;CC(C)C1C(C)N1C=N;HNRMLRMDKOZQKQ-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195896;MM195896;CC(C)C1C(C)N1C=O;SOUTWWLDIGMRCB-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195897;MM195897;CC(N)C1C(C)N1C=N;QYFNCDWKOVZHKK-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195898;MM195898;CC(N)C1C(C)N1C=O;GUXLFLCPCWENQZ-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195899;MM195899;CC(O)C1C(C)N1C=N;FYRKOAQFUGDNAS-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195900;MM195900;CC(O)C1C(C)N1C=O;YUAFFEPCGUXTBQ-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195901;MM195901;CC(F)C1C(C)N1C=N;GHKLTOFCYGHQAW-UHFFFAOYSA-N;130.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195902;MM195902;CC(F)C1C(C)N1C=O;URIPLNYCROZEIT-UHFFFAOYSA-N;131.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195903;MM195903;CC1C(C(F)F)N1C=N;RSMGGDWEOOAOEN-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195904;MM195904;C=NN1C(C)C1C(C)C;SLTCAQZUDSRRMA-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195905;MM195905;C=NN1C(C)C1C(C)N;XUKIRBINZYDUQQ-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195906;MM195906;C#Cc1c[nH]c(CC)n1;CCORMJZAKXPFPV-UHFFFAOYSA-N;120.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195907;MM195907;C=NN1C(C)C1C(C)F;FBMDOVYQUSCUCM-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195908;MM195908;C=NN1C(C)C1C(F)F;QXZGBYWYLVFSIT-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195909;MM195909;C#CC1C(C)C1C(C)C;MLHFLYDSAJYGTA-UHFFFAOYSA-N;122.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195910;MM195910;C#CC1C(C)C1C(C)N;GJZZMZQHNXTFNY-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195911;MM195911;C=Cn1ccc(CO)n1;QLLFIZMGQLCHGP-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195912;MM195912;C#CC1C(N)C1C(C)F;YQJNZJRWLZTOCK-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195913;MM195913;C=C(C)C1C(C)C1CC;WWRMUBKOHQJOIE-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195914;MM195914;CNc1c[nH]c(N=O)c1;MRLSJLWOBKKOPU-UHFFFAOYSA-N;125.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195915;MM195915;N=C(N)C1C(N)C1CN;XYUJLISNCFZJJI-UHFFFAOYSA-N;128.18;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195916;MM195916;C=CNC(=O)C1NC1(C)C;XYHLZERYCOAMJL-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195917;MM195917;C=C(C)C1C(O)C1CN;GZDZZXSRLBUBJE-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195918;MM195918;CCC1C(O)C1C(=N)N;CFGMNQWHAYPUBK-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195919;MM195919;C=C(C)C1C(N)C1NC;FBUOVTGKTOJFNW-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195920;MM195920;CNC1C(N)C1C(=N)N;FJTQJVYRWAZCFS-UHFFFAOYSA-N;128.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195921;MM195921;C#CC(O)(C=NO)C=NO;QDUOOXMINNLUQD-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195922;MM195922;C=C(F)C1C(C)N1CC;ULBGPHUTPLXBEE-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195923;MM195923;CCC1C(C)N1C(C)=N;PSJYBIYZHQUTSV-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195924;MM195924;C=CC1C(C)C1C(=C)C;LDTIBBVGOYMQCX-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195925;MM195925;C=CC1C(C)C1C(=N)N;GVAVBRIHBIFKNC-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195926;MM195926;C=CC1C(C)C1C(=O)O;LJFCNWYPYCZITJ-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195927;MM195927;C=CC1C(C)C1C(=C)F;VVOAUXDWSQEIKB-UHFFFAOYSA-N;126.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195928;MM195928;C=CC1C(N)C1C(=C)C;GCTURKPJAHJHNB-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195929;MM195929;CC(C=NOC(N)=O)CO;RITIKTKUFFQWDS-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195930;MM195930;C=C(C)C1C(O)C1C#N;OFVJLRILFZFSPD-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195931;MM195931;C=CC1C(O)C1C(=N)N;SKFSGGZPXJQTGC-UHFFFAOYSA-N;126.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195932;MM195932;N#CC1C(O)C1C(=N)N;ZPFVDMBVABRCBK-UHFFFAOYSA-N;125.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195933;MM195933;C=CC1C(F)C1C(=C)C;HCFBJEWLFFXNQY-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195934;MM195934;NN=CC(F)CC(O)CF;TYKJTYKECIDTFW-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195935;MM195935;C=C(C)C1C(C#N)N1C;KPWUNGUCJMVSBG-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195936;MM195936;N#CC=C(N)CC(O)CF;MKGDYSHURPVSOB-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195937;MM195937;CN1C(C=O)C1C(=N)N;YCGFTWXHYCYCAE-UHFFFAOYSA-N;127.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195938;MM195938;CN1C(C#N)C1C(=N)N;SZLUHPVAPMDCKO-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195939;MM195939;CN1CC1CC(C)(F)CO;HTVKHLGLSXMJES-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195940;MM195940;CN1C(C#N)C1C(N)=O;GFJWMYHKLSFKLH-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195941;MM195941;C=C(C)C1C(C)N1C=N;IFBOGLOPZVAAAC-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195942;MM195942;C=C(C)C1C(C)N1C=O;RILPBAYZRXTOQL-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195943;MM195943;CC(=O)C1C(C)N1C=N;JCCDEQBNMPFCJC-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195944;MM195944;CC(O)C#CCNCC#N;XHCXZTIRGBXGAZ-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195945;MM195945;CC1C(C(=N)N)N1C=N;LUVFWLUKBIPSOS-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195946;MM195946;CC1C(C(=N)N)N1C=O;DIHGGPMABXTJBD-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195947;MM195947;CC1C(C(N)=O)N1C=O;RVLUCOCIZZMBSZ-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195948;MM195948;Nc1nc(=O)oc(=NO)[nH]1;MEZRMUBZMISTPA-UHFFFAOYSA-N;144.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195949;MM195949;C=C(F)C1C(C)N1C=N;SVGGLSFCIKUDBI-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195950;MM195950;C=C(F)C1C(C)N1C=O;YWHCVTCESZTACT-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195951;MM195951;C=NN1C(C)C1C(=C)C;COWUTENVAPBICF-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195952;MM195952;CNN(C=O)C(=N)C(C)O;FARHETDCEQJTKV-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195953;MM195953;C=NN1C(C)C1C(=N)N;OAOJYYDCIFFALY-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195954;MM195954;CC(O)C#CCN1CC1C;ZLXYFAFXGUEXMS-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195955;MM195955;N=c1nc(CF)[nH]o1;RWLJYDLJKBRXQH-UHFFFAOYSA-N;117.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195956;MM195956;C=NN1C(C)C1C(=C)F;WFQYANNACQKMKQ-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195957;MM195957;CC(=N)N1C(C)C1C#N;RNMGPZSJMSQLGT-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195958;MM195958;CC(=O)N1C(C)C1C#N;CVDXAICKESXILL-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195959;MM195959;CC1C(C#N)N1C(=N)N;WVJQGTNOKAIUGN-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195960;MM195960;CC1C(C#N)N1C(N)=O;HTIMJAPILMDIFX-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195961;MM195961;C#CC1C(C)C1C(=N)N;MYAMHFUOFMAFGH-UHFFFAOYSA-N;122.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195962;MM195962;C#CC1C(C)C1C(=O)O;OWSZVQKWPWGTDV-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195963;MM195963;CC(CO)=NNC(=N)CO;OJBGRIPLZRFHKQ-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195964;MM195964;C#CC1C(O)C1C(=N)N;GMOULBICNSBUMG-UHFFFAOYSA-N;124.14;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195965;MM195965;C#CC1C(C(=C)C)N1C;MPVWSJYJSIUSGC-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195966;MM195966;C#CC1C(C(=N)N)N1C;JRZKBPYEHNTSMT-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195967;MM195967;C=C(CC)N(O)C(=N)CF;JWILHAQOSPQOPI-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195968;MM195968;C#CC1C(C)N1C(C)=N;OLGOXFVFQYZHQN-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195969;MM195969;C#CC1C(C)N1C(C)=O;QRZFUFVXZISVQG-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195970;MM195970;C#CC1C(C)N1C(=N)N;KJFUUXTVIHHAFU-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195971;MM195971;C#CC1C(C)N1C(N)=O;ZQFBKKKOMBTIHU-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195972;MM195972;CCCC1CC1C(C)C;DGHGAFYYJCAJDC-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195973;MM195973;CC(C)C1CC1CCN;KCASAWBSKNIZMM-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195974;MM195974;CCCC1CC1C(C)N;GIFCSLIORJWCDT-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P1";;;;;;;2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195975;MM195975;CC(N)C1CC1CCN;KNBRIJHHNFNWEI-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195976;MM195976;CC(=CF)C(=N)N(O)C=N;ZBYOGPLAZPUALB-UHFFFAOYSA-N;145.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195977;MM195977;CC(O)C1CC1CCN;GITKAJXSGDZNOG-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195978;MM195978;CC(=CNC=O)N(N)C=O;RIIBYXOAAULAAJ-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195979;MM195979;CC(F)C1CC1CCN;ASUIZBKKIASSRD-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195980;MM195980;O=CON=CCC(O)CF;DZPVIACEHFYMSD-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195981;MM195981;CCCC1CC1C(F)F;ZWRXZRBXFKLCTJ-UHFFFAOYSA-N;134.17;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195982;MM195982;CNCC1CC1C(C)N;OHCAULRUSILJBR-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195983;MM195983;CNCC1CC1C(C)F;AMPDDUAZFDZGOV-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195984;MM195984;CCNC1CC1C(C)N;WOMPNHVPONXUGQ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195985;MM195985;CCNC1CC1C(F)F;CPFGGLRWRMIBDI-UHFFFAOYSA-N;135.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195986;MM195986;CCCC1CC1N(C)C;SNIFOKMNNXIFGP-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P1";;;;;;;2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195987;MM195987;CN(C)C1CC1CCN;INFQSGCRDKEJNP-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195988;MM195988;CNCC1CC1N(C)C;CQSVKMHLVYPQPV-UHFFFAOYSA-N;128.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195989;MM195989;CCNC1CC1N(C)C;MJEFTTHZNLWUFR-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195990;MM195990;CC(C)C1NC1CCN;SEYMLRGXASNQAB-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195991;MM195991;CCCC1NC1C(C)N;XQQNDXDORPCRGC-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195992;MM195992;CC(N)C1NC1CCN;VYFHVWNWGJCSCU-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195993;MM195993;CCCC1NC1C(F)F;WXHGMQJKUTWONU-UHFFFAOYSA-N;135.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195994;MM195994;CCCC1OC1C(C)C;JRKLLFBJZSIDCA-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195995;MM195995;CCCC1OC1C(C)N;SOPRTLUTGWXCJB-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195996;MM195996;CCCC1OC1C(F)F;CSEANDPOXRNOJR-UHFFFAOYSA-N;136.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195997;MM195997;CC(C)C1CN1CCN;OEAJGRHDKXFETF-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195998;MM195998;CCCN1CC1C(C)N;MTJPVJTXZXBSBE-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM195999;MM195999;CC(N)C1CN1CCN;FYCYNTOGHVSMBX-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196000;MM196000;CCCN1CC1C(C)F;ZGUPTQPJLMCTID-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196001;MM196001;CNCC1CN1C(C)C;OMMKLXLGOFCVNO-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196002;MM196002;CC(C)C1CC1CC#N;TUAOBBWTLNXNJV-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196003;MM196003;C=CCC1CC1C(C)N;LJUGNOBLUZSVJP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196004;MM196004;C=NN(C=N)C(=NN)NO;PKXRWWLGSDUABR-UHFFFAOYSA-N;144.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196005;MM196005;C=CCON=C(CO)NO;CUZWJPVEUSIETE-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196006;MM196006;C#CCON=C(CO)NO;XKNSYMPMYJMKEF-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196007;MM196007;C=CCC1CC1C(C)F;GZUSMKIWLDBARP-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196008;MM196008;CC(F)C1CC1CC=O;WWKROFPHTCZBII-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196009;MM196009;CC(F)C1CC1CC#N;HBPMPPXXIJAYGT-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196010;MM196010;O=CCC1CC1C(F)F;YFUSDJXNDJUPGY-UHFFFAOYSA-N;134.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196011;MM196011;CC(C)C1CC1NC=N;OJVCGLVVOZZSAC-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196012;MM196012;CC(N)C1CC1NC=N;DHDQLZMLYQCLQP-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196013;MM196013;CC(F)C1CC1NC=N;LIVBHZQEFDYEFE-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196014;MM196014;CC(F)C1CC1NC=O;BDGXGMKTOJABQJ-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196015;MM196015;N=CNC1CC1C(F)F;PJHINSLAWSUYIG-UHFFFAOYSA-N;134.13;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196016;MM196016;C=NNC1CC1C(C)C;XORGKMUTGZXPNU-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196017;MM196017;C=NNC1CC1C(C)N;PNVIXONOIMIFPK-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196018;MM196018;C=NNC1CC1C(F)F;NQMKPMPHLBBLCY-UHFFFAOYSA-N;134.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196019;MM196019;C=COC1CC1C(C)C;WIGYMGUILXONLE-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196020;MM196020;C=COC1CC1C(C)N;LMFPVYYZSHEFID-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196021;MM196021;CC(O)C1CC1OC=O;VWGSHMRMFQQDFW-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196022;MM196022;C=COC1CC1C(F)F;VMTFUSXEXSHEJM-UHFFFAOYSA-N;134.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196023;MM196023;C=NOC1CC1C(C)C;CSOPNDVDAHSHQW-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196024;MM196024;C=NOC1CC1C(F)F;FXBBSESQCJHEKU-UHFFFAOYSA-N;135.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196025;MM196025;C=CCC1CC1N(C)C;KNZBVPVMGISGIR-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196026;MM196026;CN(C)C1CC1CC#N;PDUUVVKKZRDQEO-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196027;MM196027;CN(C)C1CC1NC=N;YLFQXRQPMGDKND-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196028;MM196028;CC(C)C1NC1CC#N;ZVDVKBMWJRVPIG-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196029;MM196029;C=CCC1NC1C(C)N;PHMQNNBOZZBDJG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196030;MM196030;OCC(=NN=CCF)NO;HYFBFQISYWYAMI-UHFFFAOYSA-N;149.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196031;MM196031;CC(F)C1NC1CC#N;VDUOEMQUDRPSBO-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196032;MM196032;C=CCC1NC1C(F)F;RAJVKBBUEQTMHC-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196033;MM196033;CN=C(CO)N(O)CC=O;NMSDVPXCDHBDMJ-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196034;MM196034;N#CCC1NC1C(F)F;DONJNCDMEWMXSR-UHFFFAOYSA-N;132.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196035;MM196035;C=CCC1OC1C(C)C;AFFCDVRLEQNMMI-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196036;MM196036;CC(C)C1OC1CC#N;NLKVAWPBIZAHNA-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196037;MM196037;C=CCC1OC1C(C)N;SPVDNNQOFBXALC-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196038;MM196038;CC(F)C1OC1CC#N;QJEWZOAZMBESHU-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196039;MM196039;C=CCC1OC1C(F)F;QEMRCKKCHHQOQQ-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196040;MM196040;N#CCC1OC1C(F)F;GMJPOVILCOYJKE-UHFFFAOYSA-N;133.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196041;MM196041;C=C(NC=O)C1(CC)CN1;RCVUWGXZEMDCGA-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196042;MM196042;CC(C)C1CN1CC#N;HALJYSAQQKLFFH-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196043;MM196043;C=CCN1CC1C(C)N;BPQGJHFDZXQLGH-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196044;MM196044;CC=Cn1ccc(CO)n1;UIBBCWMXARJQMP-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196045;MM196045;C=CCc1coc(NC)n1;BDZSMPQSTJFWKU-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196046;MM196046;C=CCN1CC1C(C)F;ZVTUIUQUKIYOAH-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196047;MM196047;CNc1nc(NC=N)co1;UXERZWSCIQHQHU-UHFFFAOYSA-N;140.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196048;MM196048;CC(F)C1CN1CC#N;OLPVONBLBNNVQT-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196049;MM196049;C=CCN1CC1C(F)F;WTAQKBYVBDBMFF-UHFFFAOYSA-N;133.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196050;MM196050;N#CCN1CC1C(F)F;FMZIHYFUFJOOJJ-UHFFFAOYSA-N;132.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196051;MM196051;CC(C)C1CN1NC=N;ZHSMNYOZXDCURU-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196052;MM196052;CC(N)C1CN1NC=N;IUUSYYGAUOTUAD-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196053;MM196053;C=NNC1=CC(=NN)OC1;WRBKFIWUMDDAOC-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196054;MM196054;CC(C)N1CC1CC#N;YYDOFMGJCDSXNB-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196055;MM196055;C#CCC1CC1C(C)C;KGPVDJQAIMPKNZ-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196056;MM196056;C#CCC1CC1C(C)N;MNRFKPUPJRDVDC-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196057;MM196057;C#Cc1c[nH]c(NCC)n1;FSBMGKVRPDPJPW-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196058;MM196058;C#CCC1CC1C(C)F;QCYIZJOTUZTVRD-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196059;MM196059;C#CCC1CC1C(F)F;RTDRFAKUWIPWLT-UHFFFAOYSA-N;130.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196060;MM196060;C#CCC1CC1N(C)C;NPBBEJOPZXXDPC-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196061;MM196061;C#CCC1NC1C(C)N;WEDCZJDKHAJQTE-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196062;MM196062;C#CCC1NC1C(F)F;CARKPSYSYIPFCH-UHFFFAOYSA-N;131.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196063;MM196063;C#CCC1OC1C(C)C;GTJLCBPTDBAVHM-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196064;MM196064;C#CCC1OC1C(C)N;PINAYWVQKXSZOM-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196065;MM196065;C#CCC1OC1C(C)F;NUFDWXYATDLUPN-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196066;MM196066;C#CCN1CC1C(C)C;CZPDGPVYHWUQKA-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196067;MM196067;C#CCN1CC1C(C)N;ZARPGOXDJYUZRI-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196068;MM196068;CNc1[nH]cc(C#N)c1F;OFMOQECOPYWUIO-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196069;MM196069;C#CCN1CC1C(F)F;IFGHTACGFBEINY-UHFFFAOYSA-N;131.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196070;MM196070;C=C(C)C1CC1CCC;WDXCANBPZOETGT-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196071;MM196071;C=C(C)C1CC1CCN;XBNVNWLKTJAKTA-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196072;MM196072;CCCC1CC1C(C)=O;HNQJKPWZPWGJEE-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196073;MM196073;CCCC1CC1C(=N)N;NJUGTZYJBDOQCA-UHFFFAOYSA-N;126.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P2";;;;;;;1.72;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196074;MM196074;N=C(N)C1CC1CCN;JKYOZUJWCZWVBS-UHFFFAOYSA-N;127.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196075;MM196075;N=C(N)C1CC1CCO;WGBBSICCYQKEFL-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196076;MM196076;OCC(=NOC1CC1)NO;KNRSQEMTYQQAQO-UHFFFAOYSA-N;146.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196077;MM196077;NCCC1CC1C(N)=O;FWYXVOCVIKXCEC-UHFFFAOYSA-N;128.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196078;MM196078;CCCC1CC1C(=O)O;VGXKFXUFNJJDGP-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC2_P1";;;;;;;2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196079;MM196079;C=C(F)C1CC1CCC;AUTLQCXJRYLQQD-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196080;MM196080;C=C(F)C1CC1CCN;SLAMHPIPGCFGOV-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196081;MM196081;C=C(C)C1CC1CNC;ASWLLCBOJUDVBM-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196082;MM196082;CNCC1CC1C(C)=O;GWGKITZYGAGRGL-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196083;MM196083;C=C(C)C1CC1NCC;SDVKPDVBLGQCPS-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196084;MM196084;CCNC1CC1C(C)=O;FSJYKLINHGAOOW-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196085;MM196085;C=C(F)C1CC1NCC;ISEFWHGKAXSGLD-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196086;MM196086;NN=C(C#CC1CN1)CO;HWLALQWJMBPALP-UHFFFAOYSA-N;139.16;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196087;MM196087;CCCC1NC1C(=N)N;GBPLDHZVSZHXBD-UHFFFAOYSA-N;127.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196088;MM196088;N=C1OC(=O)CN1O;KTXBQPJGGJLJBC-UHFFFAOYSA-N;116.08;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196089;MM196089;C=C(F)C1NC1CCC;CZJKYSOVCPMZJB-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196090;MM196090;C=C(F)C1NC1CCN;YFBKRQVSVLIALD-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196091;MM196091;CNCC1NC1C(N)=O;TUQUCTGIKHCWPJ-UHFFFAOYSA-N;129.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196092;MM196092;CCCC1OC1C(C)=O;IHZYAXBRHOYWLM-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196093;MM196093;CCCC1OC1C(=N)N;QFBAQXRKOCKIJF-UHFFFAOYSA-N;128.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196094;MM196094;N=C(N)C1OC1CCN;HNKATEJIFMHTAD-UHFFFAOYSA-N;129.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196095;MM196095;CCCC1OC1C(N)=O;PJVYOGZPNXILDJ-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196096;MM196096;C=C(F)C1OC1CCC;KMDRMULJNTYAAO-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196097;MM196097;C=C(C)C1CN1CCN;MIACZILMBXAKIO-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196098;MM196098;CCCN1CC1C(=N)N;OXVCQZNZMAAUGU-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196099;MM196099;Cn1ccc(CO)n1;WCKJRVKJTUIAFW-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196100;MM196100;CCCC1CN1C(C)=N;OLZFQXCWDBNSJB-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196101;MM196101;CC(=N)N1CC1CCN;WPBLCYFFQIWSHQ-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196102;MM196102;CC(=O)N1CC1CCN;SKJOVRPGYLRLSE-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196103;MM196103;CCCC1CN1C(=N)N;FKCSVKKUJLHPJY-UHFFFAOYSA-N;127.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196104;MM196104;C=CCC1CC1C(=C)C;MVSYJKOFJLFVIF-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196105;MM196105;C=C(C)C1CC1CC=O;QUKHNCNCOVQMBU-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196106;MM196106;C=C(C)C1CC1CC#N;QRCYLIVPUZBGAB-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196107;MM196107;C=CCC1CC1C(C)=O;HAMPPUQNFSYDJW-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196108;MM196108;CC(=O)C1CC1CC#N;MMGZJWCRUHOSAC-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196109;MM196109;C=CCC1CC1C(=N)N;JRMHEWJVDMPOOP-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196110;MM196110;N=C(N)C1CC1CC=O;INTUCRUYKUXXNW-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196111;MM196111;N#CCC1CC1C(=N)N;BVTDEWOQGIKOKK-UHFFFAOYSA-N;123.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196112;MM196112;CC1COC(=N)N1O;JOAZOOCNONSIAZ-UHFFFAOYSA-N;116.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196113;MM196113;NC(=O)C1CC1CC=O;GXPOIUKRBXKYRD-UHFFFAOYSA-N;127.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196114;MM196114;N#CCC1CC1C(N)=O;XDJDYQVYGFIYBL-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196115;MM196115;CN=c1[nH]nc(CC#N)o1;MAGJBQBAEKGSGV-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196116;MM196116;N#CCC1CC1C(=O)O;ONEWWDWMKHZVEY-UHFFFAOYSA-N;125.13;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196117;MM196117;C=C(C)C1CC1NC=N;VNTWAGAKJREPJP-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196118;MM196118;C=CNC(=O)C1CN1;UFZABOLNARQZAS-UHFFFAOYSA-N;112.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196119;MM196119;CC(=O)C1CC1N=CN;GZJPSGZUPRIROI-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196120;MM196120;N=CNC1CC1C(=N)N;LLONLNVXBXXJFH-UHFFFAOYSA-N;126.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196121;MM196121;N=C(N)C1CC1NC=O;XARAEXHZVOMXQP-UHFFFAOYSA-N;127.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196122;MM196122;N=CNC1CC1C(N)=O;NYNUYCYWNGTSQQ-UHFFFAOYSA-N;127.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196123;MM196123;C=C(F)C1CC1NC=N;UMXWJGMWRBLWMN-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196124;MM196124;C=NNC1CC1C(=C)C;BOWFSLMYVIMMRO-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196125;MM196125;CC1(O)COC(=NN)C1;AOFUSKNUFFUTEU-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196126;MM196126;C=NNC1CC1C(=N)N;QHSAFUDXJRPMLF-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196127;MM196127;C=C1C(O)CC(=O)N1N;ODBAZRFZYYGWSX-UHFFFAOYSA-N;128.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196128;MM196128;N=c1[nH]oc2cc(O)nn12;AVCLAWBGHJXCIO-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196129;MM196129;C=COC1CC1C(C)=O;FLGBEWSRKGQAHW-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196130;MM196130;C=COC1CC1C(=N)N;JEPLSSNEXWXEBH-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196131;MM196131;N=C(N)C1CC1OC=O;XBVAKCUSEDIVQP-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196132;MM196132;C=COC1CC1C(N)=O;ZMCOFBYXCAVWCH-UHFFFAOYSA-N;127.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196133;MM196133;C=COC1CC1C(=C)F;JTGMAKLPYVNDLH-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196134;MM196134;C#CCc1coc(N)n1;IBJATHFBYDJWMG-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196135;MM196135;C=NOC1CC1C(=N)N;GSXPOEFLGGLIAJ-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196136;MM196136;Cn1ncc(CO)c1F;XGCXZCCRQPVCKT-UHFFFAOYSA-N;130.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196137;MM196137;C=NOC1CC1C(=C)F;ICQORYIHVCKINH-UHFFFAOYSA-N;129.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196138;MM196138;C=C(C)C1NC1CC#N;BKHAUSGCIVUPQF-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196139;MM196139;CN1CCC1(C#N)CO;CDEBAHHNBZMJLU-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196140;MM196140;C=CCC1NC1C(=N)N;TYBOFIBRXUBIDL-UHFFFAOYSA-N;125.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196141;MM196141;N=C(N)C1NC1CC=O;AIBBDWSQLCVDOP-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196142;MM196142;N#CCC1NC1C(=N)N;TWPFCAAMRQQNTQ-UHFFFAOYSA-N;124.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196143;MM196143;C#CC1=CC(=NN)OC1;ZGLDZUFXGKJHMW-UHFFFAOYSA-N;122.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196144;MM196144;CCn1ccc(CO)n1;ANWZXIXYZAZLPB-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196145;MM196145;C=CC12C=CC(N1)C2=O;CSIQYRFKFARSIN-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196146;MM196146;O=c1nnoc(=NO)n1O;NXCIXPCMDRUZQY-UHFFFAOYSA-N;146.06;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196147;MM196147;C=CCC1NC1C(=C)F;LEBWKYYZZMSMDN-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196148;MM196148;C=C(F)C1NC1CC#N;HHNBZQQLBLVMJH-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196149;MM196149;C=CCC1OC1C(N)=O;INESMMCYITUYJZ-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196150;MM196150;N#CCC1OC1C(N)=O;UUENBPUKPRBMJA-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196151;MM196151;Cn1oc(=O)nc1O;SHCJTIUGKXHXGW-UHFFFAOYSA-N;116.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196152;MM196152;C=CCN1CC1C(=C)C;NGGNHFIYCAHYDM-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196153;MM196153;C=C(C)C1CN1CC#N;JNSHLBBICJDBOI-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196154;MM196154;CC(=O)NC=C(C)C=NN;LLOLDXIMBOJDAJ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196155;MM196155;N=C(CO)N(O)CC(N)=O;LOMRYXUGXKQIPX-UHFFFAOYSA-N;147.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196156;MM196156;N#CCN1CC1C(=N)N;IJNJOPGTUUJJHE-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196157;MM196157;CC#CC(CO)=NN(C)C;CUHDIJBDVITNJJ-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196158;MM196158;C#CCC(O)CON=CC;DCHYGFQRNWLWEF-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196159;MM196159;O=CCC(=O)C(=O)CO;VBLXHDGHHJBCMK-UHFFFAOYSA-N;130.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196160;MM196160;O=c1nc(O)n(O)cc1O;VRBXJOCAPNULIH-UHFFFAOYSA-N;144.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196161;MM196161;C=CCN1CC1C(=C)F;UITFEGFATRYXPO-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196162;MM196162;CC(=O)C1CN1N=CN;MZWIARBBLFVOBS-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196163;MM196163;CC(=N)N1CC1CC#N;HTSACVSRGJYLQF-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196164;MM196164;C=CCC1CN1C(C)=O;VJJYTCZKTCUSGE-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196165;MM196165;CC(=O)N1CC1CC#N;JUXDYLTWBLNMST-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196166;MM196166;C=CCC1CN1C(=N)N;ZUCAAFQJHIGPSD-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196167;MM196167;N#CCC1CN1C(=N)N;NSBHWHDAWZGDQG-UHFFFAOYSA-N;124.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196168;MM196168;C=CCC1CN1C(N)=O;SAAOEPYMXWNESF-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196169;MM196169;N#CCC1CN1C(N)=O;DNPGBXGZGOJQFA-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196170;MM196170;C#CCC1CC1C(=C)C;SYOABKQBYMYGLR-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196171;MM196171;C#CCC1CC1C(C)=O;ASQXQOONUMQZCJ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196172;MM196172;C#CCC1CC1C(=N)N;WMZZIWJWRSNSGT-UHFFFAOYSA-N;122.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196173;MM196173;C#CCC1CC1C(N)=O;QRJJADZTDHHBIK-UHFFFAOYSA-N;123.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196174;MM196174;C#CCC1CC1C(=O)O;ZZJJYPMAHNMBRY-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196175;MM196175;C=CC=NNC(=N)C(C)O;BETBHOYYCLNLHW-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196176;MM196176;C#CCC1NC1C(=N)N;RTKNEFNTWIMVJN-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196177;MM196177;C#CC=NNC(=N)C(C)O;URBCIOOVDVKLNY-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196178;MM196178;Fc1cnn[nH]1;UQVNQVMNIKJMBR-UHFFFAOYSA-N;87.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196179;MM196179;C#CCC1OC1C(C)=O;DAMONMPHPWAUSH-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196180;MM196180;C#CCC1OC1C(N)=O;VEBXFSKAFFGSQK-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196181;MM196181;C#CCC1OC1C(=C)F;BAZKAPIZSAXWNN-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196182;MM196182;C#CCN1CC1C(=C)C;YLOPMWGENTVLGF-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196183;MM196183;NC(=O)N(N)C=CNC=O;HKPAVKATGXTPDK-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196184;MM196184;C#CCN1CC1C(=N)N;QSLPVIOUTSPVFP-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196185;MM196185;CCCc1ncc(O)o1;FCMCLEYYFBBFHL-UHFFFAOYSA-N;127.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196186;MM196186;C#CCC1CN1C(C)=O;XXCSYJOBPRDTET-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196187;MM196187;C#CCC1CN1C(=N)N;HZPZUWYREFWWBH-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196188;MM196188;CC=CC1CC1C(C)C;GKGRMLVZCLWCTQ-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196189;MM196189;CC=CC1CC1C(C)N;AHOBHNQNRMTWMC-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196190;MM196190;CC(C#N)(CF)N(O)C=N;XBUHOCZLWSRXND-UHFFFAOYSA-N;145.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196191;MM196191;CC(C)C1CC1C=NN;WTPRCKROPIBBMS-UHFFFAOYSA-N;126.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196192;MM196192;CC(F)C1CC1C=NN;ALEPPIMAUBRRNG-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196193;MM196193;NN=CC1CC1C(F)F;JZAPWBMMRRCMDJ-UHFFFAOYSA-N;134.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196194;MM196194;CC=CC1CC1N(C)C;FAXNJVBLXFUXOM-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196195;MM196195;CN(C)C1CC1C=NN;OBBCKFJGNINGOA-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196196;MM196196;CNC(C#N)(CO)CCO;CWGUGLUOUJENKI-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196197;MM196197;CC(C)C1NC1C=NN;GCJHUSGGNCMMLU-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196198;MM196198;C=C1CNC(C#N)(CO)C1;ZBQSAVGJHPAHGS-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196199;MM196199;CC(F)C1NC1C=NN;MWZRRQMKUCGONO-UHFFFAOYSA-N;131.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196200;MM196200;CC=CC1OC1C(C)C;JFXVUBHWWCRYMK-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196201;MM196201;CC(C)C1OC1C=CF;GMSYXIYTAQLSRM-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196202;MM196202;CC(C)C1OC1C=NN;XESXHVRYBUGLBA-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196203;MM196203;CN=CN1CC1C(C)C;PQRLBFKUSVFPDQ-UHFFFAOYSA-N;126.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196204;MM196204;N#CC1(CO)CC(=O)CN1;SDIJUWGPYJUKPT-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196205;MM196205;CN=CN1CC1C(C)N;XRVXKZLBSGGPOS-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196206;MM196206;CN=CN1CC1C(C)O;NNYBLIMLKTYYLU-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196207;MM196207;CC=NN1CC1C(C)C;ZXDCNHVMBBKOQH-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196208;MM196208;CC=NN1CC1C(C)N;SYFKHRSYPCJZMX-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196209;MM196209;C#CC1(CO)CN(O)C=N1;GWWOIFFIYAXIFG-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196210;MM196210;CC(C)N1CC1C=NN;CQJVZWPRIBPRLD-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196211;MM196211;C=C(C)C1CC1C=CC;UVOLZHXDGIRYIE-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196212;MM196212;C=C(C)C1CC1C=CF;XELMKOSYWLIXMY-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196213;MM196213;CC=CC1CC1C(=N)N;LOJHCGVCQUEZRH-UHFFFAOYSA-N;124.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196214;MM196214;N=C(N)C1CC1C=CF;SNCVUBNYABZSKT-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196215;MM196215;C=C(F)C1CC1C=CC;FMOCPRJMSWELDS-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196216;MM196216;N=C(N)C1CC1C=NN;PVJSRACCZPRVDG-UHFFFAOYSA-N;126.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196217;MM196217;N#CC1(CC(O)CF)CN1;UIKRGFODYCXTHF-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196218;MM196218;NN=c1on(O)c(O)c1F;AUXQQTLOGBTOOY-UHFFFAOYSA-N;149.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196219;MM196219;C=C(F)C1CC1C=NN;RMZYAIHMBCDVLN-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196220;MM196220;C=C(C)C1NC1C=CC;VXURIOWECKBDCP-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196221;MM196221;C=C(F)C1NC1C=CC;FLJRZDIGFMANBO-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196222;MM196222;C=C(C)C1OC1C=CC;IDINOAIPMNHMOZ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196223;MM196223;C=C(C)C1CN1C=NC;YPMVQRWNBVWKOG-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196224;MM196224;C#CC1(CC(O)CF)CN1;FVABHZAZKZKSII-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196225;MM196225;CN=CN1CC1C(=N)N;ZZXFIQKTFQJJJA-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196226;MM196226;C=C(C)C1CN1N=CC;PLLKVXPPIDUBSU-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196227;MM196227;NC=NOC(=O)C(F)CO;XSNWZOGRYHVZGO-UHFFFAOYSA-N;150.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196228;MM196228;CC=NN1CC1C(=N)N;KAXSDCKRPPWLOB-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196229;MM196229;CC(CC=NN)C(O)CO;OBVXRDRYRMEOPO-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196230;MM196230;Nc1[nH]nnc1O;NZACDECOAVIYAJ-UHFFFAOYSA-N;100.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196231;MM196231;C=C(F)C1CN1N=CC;QIEMXFWEHGQIIM-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196232;MM196232;CC=CC1CN1C(C)=N;NTPDFYXBTAVVPZ-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196233;MM196233;CC=CC1CN1C(C)=O;IBEWZLDIJZLXOW-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196234;MM196234;CC=CC1CN1C(=N)N;KOQQWVZJEVHWSP-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196235;MM196235;N=C(N)N1CC1C=CF;UECVFLPANWPXBO-UHFFFAOYSA-N;129.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196236;MM196236;CC=CC1CN1C(N)=O;IBBJQRURJJUJMX-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196237;MM196237;CC(=N)N1CC1C=NN;GMCNFSNPHPZSEQ-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196238;MM196238;N=C(N)N1CC1C=NN;YDOCREIALDZLED-UHFFFAOYSA-N;127.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196239;MM196239;CC#CC1CC1C(C)C;GBXYIKCYRBZRIB-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196240;MM196240;CC#CC1CC1C(C)N;NIURMGSCLFUVAL-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196241;MM196241;C#CC(=N)N(O)C=CC#N;UEAPTISGEPZNDJ-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196242;MM196242;CC#CC1CC1C(C)F;FGMSWEWLJWDRQK-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196243;MM196243;CC#CC1CC1N(C)C;BKFMHEZYPPIESX-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196244;MM196244;CC#CC1NC1C(C)N;QFLYMYYEIDMEQM-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196245;MM196245;CC#CC(CO)=NNCC;LCCOJNWOMRCYHQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196246;MM196246;CC#CC1CN1C(C)C;XASPDAKOIPOGEC-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196247;MM196247;C=C(C)C1CC1C#CC;PKTWRNHEALTGGM-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196248;MM196248;CC#CC1CC1C(C)=O;DCXJGCJKOOIVDW-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196249;MM196249;CC#CC1CC1C(=N)N;WJIUXKAQLMJHBX-UHFFFAOYSA-N;122.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196250;MM196250;CC#CC1CC1C(N)=O;UCNPKBJQNGWMQL-UHFFFAOYSA-N;123.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196251;MM196251;CC#CC1CC1C(=O)O;FVONDDSXBNGPGL-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196252;MM196252;C=C(F)C1CC1C#CC;ZPBGDCGVDYUIPZ-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196253;MM196253;C=C(C)C1NC1C#CC;QBNGDQAJZBMOLG-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196254;MM196254;N=CN(O)C(CO)C(N)=O;YIQFGKLSWKNOSD-UHFFFAOYSA-N;147.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196255;MM196255;CC#CC1NC1C(=N)N;MJATYMHHNHTRNM-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196256;MM196256;CC#CC1CN1C(C)=N;GQVVEKJSXPZMKE-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196257;MM196257;CC#CC1CN1C(C)=O;BFOLMVSJRVMRKN-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196258;MM196258;CC#CC1CN1C(=N)N;OBPIHXDAXPQHKP-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196259;MM196259;CC#CC1CN1C(N)=O;QZMXJLPLFOOEDP-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196260;MM196260;CC(C)n1oncc1=N;LFRQUDKKRUUCHM-UHFFFAOYSA-N;127.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196261;MM196261;CC(C)n1oncc1=O;RALZKNBUBLNJMQ-UHFFFAOYSA-N;128.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196262;MM196262;CC(C)n1ocnc1=O;LKMOUUVYSUQJFN-UHFFFAOYSA-N;128.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196263;MM196263;CN(C)n1oncc1=N;LITAJCWMSOFVJP-UHFFFAOYSA-N;128.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196264;MM196264;CN(C)n1oncc1=O;FKSLMQIRVVXUAM-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196265;MM196265;CN(C)n1ocnc1=O;ROFIFEAKMKMBPT-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196266;MM196266;C=C(C)n1oncc1=N;BIXKWGQQGQPFDH-UHFFFAOYSA-N;125.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196267;MM196267;CC(=N)n1oncc1=N;DNJGYSFEKCRWBC-UHFFFAOYSA-N;126.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196268;MM196268;CC(=O)n1oncc1=N;GLJXJUOSWPCIFM-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196269;MM196269;N=c1cnon1C(N)=O;VUINNTFHNMTMBA-UHFFFAOYSA-N;128.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196270;MM196270;Cn1[nH]c(=NO)oc1=O;ZUYUEKJHKOVAQU-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196271;MM196271;C=C(C)n1oncc1=O;ATQJDIAVNDRQKP-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196272;MM196272;CC(=N)n1oncc1=O;OKUHVRPLYAXVQM-UHFFFAOYSA-N;127.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196273;MM196273;CC(=O)n1oncc1=O;YUPYQXTZAROUDR-UHFFFAOYSA-N;128.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196274;MM196274;Cn1c(=O)c(=N)ncn1O;FMJUOWLGLYJASD-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196275;MM196275;NC(=O)n1oncc1=O;WESBKIZMEXSWJZ-UHFFFAOYSA-N;129.08;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196276;MM196276;N=c1c(=O)cc(O)on1O;AZMIOZHQHXPMTF-UHFFFAOYSA-N;144.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196277;MM196277;CC(=N)n1ocnc1=N;KOSGMRVFSXMXAM-UHFFFAOYSA-N;126.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196278;MM196278;CC(=O)n1ocnc1=N;VNNSUKMOKXLLBE-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196279;MM196279;N=c1ncon1C(N)=O;JOLBJUYFSZSTTA-UHFFFAOYSA-N;128.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196280;MM196280;Nn1oc(O)c(F)c1=O;YTPDOHSAKKUIKT-UHFFFAOYSA-N;134.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196281;MM196281;C=C(C)n1ocnc1=O;ZPVCCOUSWBTADF-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196282;MM196282;CC(=N)n1ocnc1=O;UEZJGKCUKBPDHH-UHFFFAOYSA-N;127.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196283;MM196283;CC(=O)n1ocnc1=O;LJTYXODUVSLVBT-UHFFFAOYSA-N;128.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196284;MM196284;N=c1c(=O)onc(N)n1N;SODKNSZQUPXCBK-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196285;MM196285;NC(=O)n1ocnc1=O;CBLYNVIMJTUNEK-UHFFFAOYSA-N;129.08;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196286;MM196286;O=C(O)n1ocnc1=O;OYMDHCGFQHARAX-UHFFFAOYSA-N;130.06;-0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196287;MM196287;CN=c1[nH]cnc(=O)o1;OSCJSUJMEXONRH-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196288;MM196288;C#CCc1oc(=O)oc1O;ANTFLARMQHFFBU-UHFFFAOYSA-N;140.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196289;MM196289;C=c1ccoc1=C(C)C;OYAYSMKASCDKIE-UHFFFAOYSA-N;122.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196290;MM196290;C=c1ccoc1=C(C)F;UXRRPKYYOYPKOU-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196291;MM196291;C=c1ccoc1=C(F)F;SGJQCGWOVSWAQI-UHFFFAOYSA-N;130.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196292;MM196292;C=c1occc1=C(C)C;DKLIERUKRHZXFT-UHFFFAOYSA-N;122.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196293;MM196293;C=c1occc1=C(C)F;IGTGZTCPTXQKJU-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196294;MM196294;C=c1occc1=C(F)F;BEYRXNBRYGJIFN-UHFFFAOYSA-N;130.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196295;MM196295;CCCC(C)C1CC1C;QRTKUJRGCCRFOM-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196296;MM196296;CC(CCN)C1CC1C;CJFYPVOUQOTVJR-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196297;MM196297;CCCC(N)C1CC1C;YOFZZYZDXZFCMY-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196298;MM196298;CCCC(C)C1CC1N;DHKQEHTZKLCPGS-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196299;MM196299;CCCC(N)C1CC1N;PEZNHRLSQKGMHO-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196300;MM196300;NN=C(C#CCCF)CO;XIHGSZUKDLNZFP-UHFFFAOYSA-N;144.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196301;MM196301;CC(CCN)C1CC1O;ZRZNAAXWWWCABX-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196302;MM196302;C#CC(CO)=NNCCO;QJZDKLDRMVUIPO-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196303;MM196303;CCCC(N)C1CC1O;CXYIULLFYHTUFU-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196304;MM196304;CCCC(N)C1CC1F;DWVMDOOGHMODAV-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196305;MM196305;CNCC(C)C1CC1C;VSAGTWTYQLQMTH-UHFFFAOYSA-N;127.23;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196306;MM196306;CNCC(C)C1CC1N;JWCUDTWHDOIOKE-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196307;MM196307;CNCC(C)C1CC1O;ZMRDAMQEBSFZKA-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196308;MM196308;CNCC(C)C1CC1F;OMCKQRUJVCVTGV-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196309;MM196309;CCNC(C)C1CC1N;CWTUHJUAFPCMAI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196310;MM196310;CCNC(C)C1CC1O;GXHAHOOHTRMCOV-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196311;MM196311;CCOC(C)C1CC1C;FFAMINUZEAVWDR-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196312;MM196312;CCCC(N)C1NC1C;ZJHZBGPNSXWBMN-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196313;MM196313;CC1NC1C(N)CCN;VLNMSYZZYZRVMX-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196314;MM196314;CNCC(C)C1NC1C;PPSCWXDMIASWRR-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196315;MM196315;CNCC(N)C1NC1C;WNHWRNSDXKNDAN-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196316;MM196316;CCCC(C)C1OC1C;CAGHUMFSQKAFSH-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196317;MM196317;CC(CCO)C1OC1C;VLXCIVDAIFTGCA-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196318;MM196318;CCCC(N)C1OC1C;UTSOXEVQSAKKPL-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196319;MM196319;CC1OC1C(N)CCN;QIFFAHQHSRJMGG-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196320;MM196320;CCNC(C)C1OC1C;KALWIWTWEKDPNM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196321;MM196321;CCOC(C)C1OC1C;FNRIQIOJPMUFEV-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196322;MM196322;CCCC(N)C1CN1C;XDCRUXYQYYXTLX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196323;MM196323;CNCC(C)C1CN1C;ZYYPTAVZODCGSL-UHFFFAOYSA-N;128.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196324;MM196324;CCNC(C)C1CN1C;MYYBXRMFKASDLS-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196325;MM196325;C=CCC(F)C1CC1C;BBXXBIJUWLIRRS-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196326;MM196326;C=CCC(N)C1CC1N;JDSXKYINSMCMFE-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196327;MM196327;C=CCC(O)C1CC1N;HTEXCYQTCOKJEF-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196328;MM196328;C=CCC(F)C1CC1N;XBIOXXXRWHWCMC-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196329;MM196329;C=CCC(N)C1CC1O;LITRQCHMFTUBAV-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196330;MM196330;C=CCC(N)C1CC1F;VKPLUTSZUSTOLR-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196331;MM196331;C=CCC(O)C1CC1F;MGYLOTQNMCLWIB-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196332;MM196332;CC1CC1C(C)NC=N;CWABCEDLQVQAGK-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196333;MM196333;CC1=CC(=NN)C2CC12O;NNOLNDWGMGCAQF-UHFFFAOYSA-N;138.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196334;MM196334;C=NNC(C)C1CC1C;BHWXZIFMXBBNML-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196335;MM196335;CC1CC1C(C)OC=O;MKWIQYNNUSETTE-UHFFFAOYSA-N;128.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196336;MM196336;C=NOC(C)C1CC1C;IKYSLGFHERBHQP-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196337;MM196337;CCCn1ccc(CO)n1;SJVVWYABOVAVGH-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196338;MM196338;CN(CC#N)C1CC1F;UWAAGSHZEVYRQW-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196339;MM196339;CC1CC1N(C)NC=N;YEJIFEFLWGKORI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196340;MM196340;C#CCn1ccc(CO)n1;XFLCSRAYWPZQFP-UHFFFAOYSA-N;136.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196341;MM196341;C=CCC(N)C1NC1C;OGWJNIJFVZREKL-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196342;MM196342;NN=C1C=C(NC=O)CC1;RVLWNMCGHFMUTF-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196343;MM196343;C=CCC(N)C1OC1C;BBQULEOKBNHHOI-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196344;MM196344;C=CCC(O)C1OC1C;HWQJBKYWCZLOSU-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196345;MM196345;CC1OC1C(O)CC#N;VONCRKKBRBKHRZ-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196346;MM196346;CC=Cc1cc(NO)n[nH]1;FOGVVQCZLLNKMS-UHFFFAOYSA-N;139.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196347;MM196347;C=CNC(=O)C1CN1CC;GVTZOVRGUFPGDV-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196348;MM196348;C=CCC(F)C1CN1C;ORVDFAGQAKCRFN-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196349;MM196349;C#CCC(C)C1CC1C;NSGUODBZOYMGFJ-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196350;MM196350;C#CCC(N)C1CC1C;JJZCUTIHBJSBCV-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196351;MM196351;NN=C(C#CC1CC1)CO;URYDPKYWSCZAHW-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196352;MM196352;C#CCC(N)C1CC1N;SFSJIPLPGHFJON-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196353;MM196353;C#CCC(O)C1CC1N;DYSWNVATYZRPAW-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196354;MM196354;C#CCC(C)C1CC1F;QWWVIVZTHKZIDD-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196355;MM196355;C#CCC(N)C1NC1C;CIHYKJWBRSIFLW-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196356;MM196356;C#CCC(F)C1NC1C;IIQWXBWPIAGFNO-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196357;MM196357;C#CCC(N)C1OC1C;FAZYGIAEZLDOOG-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196358;MM196358;C#CCC(O)C1OC1C;PBKPEZAUUZVGJD-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196359;MM196359;C#CCC(N)C1CN1C;JOTYWFLQKWICDZ-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196360;MM196360;C#CC(CO)=NNC;KFVRPXRTBVPJGO-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196361;MM196361;C#CCC(F)C1CN1C;SCBGJPWTITURPN-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196362;MM196362;C=C(CCC)C1CC1C;HHUAIJAYNQNDQE-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196363;MM196363;C=C(CCN)C1CC1C;TUELWEULXBBIST-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196364;MM196364;C=C(CCC)C1CC1N;KEUJVECCOXRMQK-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196365;MM196365;N#CC1(CO)CCN1;OMZOIKACFSTYOE-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196366;MM196366;C=C(CCC)C1CC1F;CLKHHCUDSLWKMN-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196367;MM196367;CCCC(=O)C1CC1F;WUUOYTCZFBYRQN-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196368;MM196368;C=C(OCC)C1CC1C;KSLJRMJAKGGNSX-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196369;MM196369;C=C(CCN)C1NC1C;XVVGHYXHGCSZCO-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196370;MM196370;C=C(CCC)C1OC1C;ZBDBKRSFGBZRFJ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196371;MM196371;C#CCc1cn[nH]c1;GKLMQYHQSLBRAJ-UHFFFAOYSA-N;106.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196372;MM196372;C=C(CCC)C1CN1C;ZQLYYMCFACBUQF-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196373;MM196373;C=C(CCN)C1CN1C;QSEJBZXGAGSZCZ-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196374;MM196374;CCCC(C)(O)C=NN;KTKVTWQSEKCJAV-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196375;MM196375;CCCC(=N)N1CC1C;JTFYNVRQKYLCRW-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196376;MM196376;CCCC(=O)N1CC1C;VHBWYFJXWZBLHD-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196377;MM196377;COCC(=N)N1CC1C;VDAWQVWOBZBGAD-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196378;MM196378;CCNC(=O)N1CC1C;IWRQBUYFLGSOTR-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196379;MM196379;CNNC(=N)N1CC1C;SYZBFKAANXIAJD-UHFFFAOYSA-N;128.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196380;MM196380;C#CC(CO)=NN(C)C;IHUQAXUVQSTDKF-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196381;MM196381;CCOC(=O)N1CC1C;DAIKRMBKRGYNCV-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196382;MM196382;C=CCC(=C)C1CC1C;VKIDJZKMZGGQPB-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196383;MM196383;C=C(CC=O)C1CC1C;DBAWVHBROVRLOQ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196384;MM196384;C=C(CC#N)C1CC1C;JAXLBDZFFFPQJE-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196385;MM196385;C=CCC(=O)C1CC1C;HIHVMHFYOVQXME-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196386;MM196386;CC1CC1C(=O)CC#N;MPJRVMZFXQWABX-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196387;MM196387;C=CCC(=C)C1CC1N;KDSHWDMMDJNTAN-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196388;MM196388;CC1CC(C#N)(CO)N1;BWSIOHWEOITVFD-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196389;MM196389;CON=CC#CC(N)=O;WGGPJROCBIGVJY-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196390;MM196390;C=CCC(=O)C1CC1O;NCOIIPPWSDFVFG-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196391;MM196391;C=C(CC#N)C1CC1F;SIDHJZYJKUMNLG-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196392;MM196392;C=C(NC=N)C1CC1C;ZPCWRMCQCQVCOM-UHFFFAOYSA-N;124.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196393;MM196393;C=C(NC=O)C1CC1C;OAPUTZJTJZWQTM-UHFFFAOYSA-N;125.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196394;MM196394;C=CNC(=O)C1CC1C;HEIXYOGZWIWEHT-UHFFFAOYSA-N;125.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196395;MM196395;C=C(NC=N)C1CC1N;JVSGRQDWBCBTMI-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196396;MM196396;C=CNC(=N)C1CC1N;VFVNCMMSNRRKPD-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196397;MM196397;N=CNC(=N)C1CC1N;RDVGBNLMRAXXDT-UHFFFAOYSA-N;126.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196398;MM196398;C=CNC(=O)C1CC1N;ZSFKGKIUNVUPHY-UHFFFAOYSA-N;126.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196399;MM196399;NC1CC1C(=O)NC=O;HGLDMPXQQFRZPL-UHFFFAOYSA-N;128.13;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196400;MM196400;C=C(NC=N)C1CC1O;RUXCEUAUTKXQMM-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196401;MM196401;C=CNC(=N)C1CC1O;AGUPHYJTLASYJP-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196402;MM196402;N=CNC(=N)C1CC1O;UDDHIYVFUKGDRC-UHFFFAOYSA-N;127.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196403;MM196403;CC(=NN)C(F)C(C)O;PRBCXQLEEPNILT-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196404;MM196404;C=C(NC=N)C1CC1F;CTFDYSNUKJUZPD-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196405;MM196405;C=CNC(=N)C1CC1F;PDYPWUXHEKEPCN-UHFFFAOYSA-N;128.15;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196406;MM196406;N=CNC(=N)C1CC1F;HBGLTDQCSAZEGV-UHFFFAOYSA-N;129.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196407;MM196407;C=CNC(=O)C1CC1F;WGZGKWUHHVSLDK-UHFFFAOYSA-N;129.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196408;MM196408;C=COC(=O)C1CC1C;ALCBFNLVDNBHQK-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196409;MM196409;C=COC(=O)C1CC1N;HELXPXPMMGUMFC-UHFFFAOYSA-N;127.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196410;MM196410;C=COC(=O)C1CC1O;NWLQJMJZCKJPJW-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196411;MM196411;C=COC(=C)C1CC1F;JWVIAHNBDDWEMT-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196412;MM196412;C=NOC(=O)C1CC1C;YFSUXYZPZONMHR-UHFFFAOYSA-N;127.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196413;MM196413;C=NOC(=O)C1CC1N;QMMFSHMJUOVLJH-UHFFFAOYSA-N;128.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196414;MM196414;CN1C(=N)CC(=O)C1=N;IWAZMIQKGXALMM-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196415;MM196415;C=C(CC#N)C1NC1C;JXZXGYWPICYTGY-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196416;MM196416;Nc1cc(CO)nn1N;VGHWCTIHTGOLQN-UHFFFAOYSA-N;128.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196417;MM196417;CON=c1ccn(O)o1;KISJEVPOISDCEQ-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196418;MM196418;C#CCc1nc(C)c[nH]1;PGUSBBMFFWLLHC-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196419;MM196419;C=COC(=C)C1NC1C;OXBKCBBJXLFKLC-UHFFFAOYSA-N;125.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196420;MM196420;C=COC(=O)C1NC1C;XQBIGQILXUJNAC-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196421;MM196421;C=NOC(=O)C1NC1C;JDJQEBMHRKEKQI-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196422;MM196422;C=CNC(=N)C1OC1C;DQMCROXRNIITQQ-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196423;MM196423;C=CCC(=C)C1CN1C;QFUVGFNBSYKYRV-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196424;MM196424;C=C(CC#N)C1CN1C;WYQQSVCORHQHGL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196425;MM196425;C=CC1COC(=N)N1O;HZQXYISDKRZOFB-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196426;MM196426;Cc1[nH]nc(CO)c1C;RAEOZIGGBSPTQT-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196427;MM196427;C=CNC(=N)C1CN1C;ICEKYXDGTRMLKS-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196428;MM196428;CCON=C(CO)CO;FAQCSOYSPPFANB-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196429;MM196429;C=COC(=C)C1CN1C;OVGFYPGXISQDHU-UHFFFAOYSA-N;125.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196430;MM196430;C=C(OC=O)C1CN1C;YIIJNWAYBKBZAT-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196431;MM196431;C=CCC(=N)N1CC1C;AFTBWCDWQNTTCJ-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196432;MM196432;CC1CN1C(=N)NC=O;WHBLWNMXBMBHHX-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196433;MM196433;C=CNC(=O)N1CC1C;PRQPEGTWUTWQMG-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196434;MM196434;CC1CN1C(=O)NC=O;ILEZBMBCVYOYAJ-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196435;MM196435;C=NOC(=N)N1CC1C;OFIAFIGPJRQKGK-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196436;MM196436;C=NOC(=O)N1CC1C;SIRHDYHJOJCCFJ-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196437;MM196437;C#CCC(=O)C1CC1C;IZZNDIFCLBMFDA-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196438;MM196438;C#CCC(=C)C1CC1N;JILOKDNYKHCABG-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196439;MM196439;C=Cc1cc(NO)n[nH]1;QXGUTSVVPTZVEP-UHFFFAOYSA-N;125.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196440;MM196440;C#CCC(=C)C1CC1F;DUCXWXHYFKQWNZ-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196441;MM196441;COn1cnc(CO)c1;IMUPYXCJUFELNW-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196442;MM196442;C#CCC(=C)C1CN1C;KETSRHAIDPERFU-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196443;MM196443;C#Cc1c[nH]c(NC)n1;WVYLIGCDUSBPER-UHFFFAOYSA-N;121.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196444;MM196444;C#CCC(=N)N1CC1C;GDCCFPSMJGCKAC-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196445;MM196445;CC=CC(C)C1CC1C;LXCAKBOWVAJSEN-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196446;MM196446;CC=CC(N)C1CC1C;RYLSVCRDJFDXCD-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196447;MM196447;CC1CC1C(N)C=CF;OOUDRILGAGGLAE-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196448;MM196448;CC1CC1C(F)C=CF;VPWQGPIPMFMLAO-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196449;MM196449;C#CC(CO)=NN1CC1;BSBUTRUWYGMKJG-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196450;MM196450;OC1CC1C(F)C=CF;MXVAJKDQISWCLQ-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196451;MM196451;CC=CC(C)C1CC1F;YTPLBRPKEMJEIN-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196452;MM196452;CC=CC(O)C1CC1F;OBCGSZMSLIXTAX-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196453;MM196453;CC(C=NO)C1CC1C;AIBAWZFQACRTKJ-UHFFFAOYSA-N;127.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196454;MM196454;CC1CC1C(N)C=NO;ZWXIMOJJAPVTDQ-UHFFFAOYSA-N;128.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196455;MM196455;CC1CC1C(F)C=NN;WCLCWBJBVMJTHX-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196456;MM196456;CC=CC(C)C1OC1C;IHKHAXVANGJBQE-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196457;MM196457;CC(C=CF)N1CC1C;OLGYFZRGZKIVFI-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196458;MM196458;CC1(C)CC(C#N)(CO)N1;DWWBCHNOGFUITN-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196459;MM196459;C=C(C=CC)C1CC1C;WADNHVKDBYPTRD-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196460;MM196460;CC=CC(=O)C1CC1C;NDAOFODHPYFCPS-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196461;MM196461;CC1CC1C(=O)C=CN;WIHCWIJPPFBINJ-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196462;MM196462;C=C(C=CC)C1CC1N;LLBXORHQRKAVIZ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196463;MM196463;CC(=NOC=O)C(C)(C)O;OJBGVOOPBYYJBO-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196464;MM196464;CC=CC(=O)C1CC1O;RGVYNCLPHWBNLR-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196465;MM196465;C=C(C=CC)C1CC1F;VOUAQAGNKNWIJP-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196466;MM196466;CC=CC(=O)C1CC1F;XWBPBZJKVGQUNL-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196467;MM196467;CCCC(C)(O)C=NNC;FDTQCYBTFJERLU-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196468;MM196468;C=C(CC=NN)NC(C)=O;KVQJTDUJBXYPJF-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196469;MM196469;C=C(C=CC)C1OC1C;JMPMHKDSQZTRPX-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196470;MM196470;C=C(C=CC)C1CN1C;HCODCISUEKIFBM-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196471;MM196471;CC=CC(=O)C1CN1C;FHGUXJIMYTWSRP-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196472;MM196472;CN1CC1C(=O)C=CN;SWKBKCDTOXVNHP-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196473;MM196473;CC=CC(=N)N1CC1C;KUEXYNNKRKEVDU-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196474;MM196474;CC1CN1C(=N)C=CF;QACDRUXQXIHZQY-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196475;MM196475;CC=CC(=O)N1CC1C;IKDBYKCWETWAAY-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196476;MM196476;CC(O)C(=N)N(C)C(N)=O;PAUDITWUZVDJRI-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196477;MM196477;CC1CN1C(=O)C=NO;WUBBHYWSOIJGMJ-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196478;MM196478;CC#CC(C)C1CC1C;JBURSSUATQIVLD-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196479;MM196479;CC#CC(N)C1CC1C;CHZKNRYRUPXPLL-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196480;MM196480;CC#CC(F)C1CC1C;SREWTWOIQFBRDQ-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196481;MM196481;CC#CC(C)C1CC1N;VDUGQDCIPLOLQR-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196482;MM196482;CC#CC(N)C1CC1N;OZDAPTZEEFDHKV-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196483;MM196483;CC#CC(O)C1CC1N;CAOCBLHJOUXBQX-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196484;MM196484;CC#CC(F)C1CC1N;OKJBIFRRQJXKPA-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196485;MM196485;NC(=O)ON=CCCCO;CUBVONJTBHACHK-UHFFFAOYSA-N;146.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196486;MM196486;CC#CC(N)C1CC1O;JSELFIQQMGOIAC-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196487;MM196487;CC#CC(O)C1CC1O;JGYQDJZJHSUMKB-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196488;MM196488;CC#CC(F)C1CC1O;RJHGGMUNOZPKGH-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196489;MM196489;CC#CC(C)C1CC1F;ZUNQCQIRMFSNNR-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196490;MM196490;CC#CC(N)C1CC1F;AHRRTTGLWHNXMJ-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196491;MM196491;CC#CC(O)C1CC1F;IQBUDZSJQNRIFA-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196492;MM196492;CC#CC(F)C1CC1F;OINLXUXMWINGBS-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196493;MM196493;CC#CC(F)C1NC1C;PITVAENJMJAZIS-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196494;MM196494;CC#CC(C)C1OC1C;FGZQUJDWQFLEAD-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196495;MM196495;CC#CC(N)C1OC1C;YTUGCYXADKBOPO-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196496;MM196496;CC#CC(O)C1OC1C;AIACAHLEZONKDT-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196497;MM196497;CC#CC(C)C1CN1C;YRZLIBHUNCFMCI-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196498;MM196498;COCC(O)C(C)C=NN;FFOGSWYDYXYACA-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196499;MM196499;CC#CC(F)C1CN1C;MDWJMFWVFICNEK-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196500;MM196500;CC#CC(C)N1CC1C;IEMKWIOQZXRIII-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196501;MM196501;C=C(C#CC)C1CC1C;VTHZXCNELKRPLZ-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196502;MM196502;CC#CC(=O)C1CC1C;SGFNBMRTMNXPIZ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196503;MM196503;C=C(C#CC)C1CC1N;XXCTZOPLFINWIG-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196504;MM196504;CNC(C#N)(CO)C(C)C;XZYOCPPFVQSAFJ-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196505;MM196505;CC#CC(=O)C1CC1O;VWBMNDPGHZISDH-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196506;MM196506;C=C(C#CC)C1CC1F;VZGFVWBCKYVKKR-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196507;MM196507;CC#CC(=O)C1CC1F;VOIQZRXMNAQVFP-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196508;MM196508;C=C(C#CC)C1NC1C;JLRSZRGTEWFQKU-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196509;MM196509;CNC(C#N)(C=O)C(N)=O;SQLKIEVOVKHFFY-UHFFFAOYSA-N;141.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196510;MM196510;C=C(C#CC)C1OC1C;NREPSGOVXWCAAM-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196511;MM196511;CC#CC(=O)C1OC1C;HNBNPLIDJWURGZ-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196512;MM196512;C=C(C#CC)C1CN1C;MUGCVLDIXJMFKW-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196513;MM196513;CC#CC(=O)C1CN1C;JVUUBPJKZWCQKE-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196514;MM196514;CC#CC(=N)N1CC1C;IUSXLBCMKBOLEC-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196515;MM196515;CC#CC(=O)N1CC1C;FMUYIFBLFIQYOW-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196516;MM196516;CC(=CCN)C1CC1C;OFTBGMRHYYNITC-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196517;MM196517;CCC=C(C)C1CC1F;IBTZYSIXBGBISI-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196518;MM196518;CC(=CCN)C1CC1F;WXUQCVQXIAKEOX-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196519;MM196519;CC(=CCN)C1NC1C;BFBJPHRXGOZZOA-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196520;MM196520;CCC=C(C)C1CN1C;FAQCLSLVGHYMJV-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196521;MM196521;CC(=CCN)C1CN1C;YYLDNWZPARVOSO-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196522;MM196522;CCN=C(C)N1CC1C;URKSTXTVLYFKPB-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196523;MM196523;C=CC=C(C)C1CC1C;YHZPUCLARXMAAU-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196524;MM196524;CC(=CC#N)C1CC1C;CMNIDCLNIXWTKA-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196525;MM196525;CC1CC1C(N)=CC#N;HYGMRFSFTMKSJU-UHFFFAOYSA-N;122.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196526;MM196526;C=CC=C(F)C1CC1C;RLMQWCQDWLRXPP-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196527;MM196527;C=CC=C(F)C1CC1N;ILNBTDRIQFVFCG-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196528;MM196528;CNC(C#N)CC(O)CF;ZOHCBVMUPGCZLT-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196529;MM196529;C#CC(CO)=NN(C)C=N;KTEPIHBKEIRBHT-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196530;MM196530;CCC1CC(C#N)(CO)N1;AWYFPAPFROQMDJ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196531;MM196531;C=CC=C(F)C1CC1O;VVISUFCPRZAXKX-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196532;MM196532;C=CC=C(C)C1CC1F;BGXQJNYSBRKOQC-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196533;MM196533;CC(=CC=O)C1CC1F;BHNCMWRLZXAZHZ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196534;MM196534;CC(=CC#N)C1CC1F;ZVIZNCYECZGZPB-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196535;MM196535;C=CC=C(F)C1CC1F;SGJYNLIHNZLFKN-UHFFFAOYSA-N;130.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196536;MM196536;N#CC=C(F)C1CC1F;SAAJXSSNQNUQOJ-UHFFFAOYSA-N;129.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196537;MM196537;C=NN=C(C)C1CC1C;PAAUNAMGWGCPAM-UHFFFAOYSA-N;124.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196538;MM196538;CC(=CC#N)C1NC1C;ISJASFSNPZETLG-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196539;MM196539;C=CC=C(F)C1NC1C;VJBNWDSHHHDJRG-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196540;MM196540;CC1NC1C(F)=CC#N;VAATVWCYFSWOEH-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196541;MM196541;C=NN=C(C)C1NC1C;IMTYQFFCGJNZLS-UHFFFAOYSA-N;125.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196542;MM196542;C=CC=C(F)C1OC1C;UFCOUCASSKZCSH-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196543;MM196543;CC1OC1C(F)=CC#N;QFEZAQRBIJJZQU-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196544;MM196544;C=CC=C(C)C1CN1C;UWWKEQVGOOAWOV-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196545;MM196545;CC(=CC#N)C1CN1C;IBRGKBBHVNSMFL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196546;MM196546;C=CC=C(F)C1CN1C;AFWLCNLYUWJFOL-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196547;MM196547;CC(=CC=O)N1CC1C;XVJAUGLDNSQQRH-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196548;MM196548;CC(=CC#N)N1CC1C;XAXFMOKSSKESMX-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196549;MM196549;C=NN=C(C)N1CC1C;ZRSDVBNFNRUCTD-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196550;MM196550;C#CC=C(F)C1CC1C;ORMNKGSKNBDXRN-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196551;MM196551;C#CC=C(C)C1CC1N;AWIFECNGRBKSDF-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196552;MM196552;N#CC1(CO)CC(CF)N1;QNWOBTOHFVGFQE-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196553;MM196553;C#CC=C(C)C1CC1F;QBAZWNHRRZHGCI-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196554;MM196554;C#CC=C(F)C1CC1F;PLVPYMFXPCYCNI-UHFFFAOYSA-N;128.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196555;MM196555;C#CC=C(F)C1NC1C;MFGRONZBQSQFNU-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196556;MM196556;C#CC=C(C)C1OC1C;UCVYSJHYTMHLLL-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196557;MM196557;C#CC=C(F)C1OC1C;JMBWAYPGBLCJQG-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196558;MM196558;C#CC=C(C)C1CN1C;UNCNBSMPEYFCBF-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196559;MM196559;C#CC=C(F)C1CN1C;HNOXTDLENHVKBO-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196560;MM196560;C=c1cc2c(o1)=COC2;KEOYLNVPOOPUGB-UHFFFAOYSA-N;122.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196561;MM196561;C=c1cc2c(o1)=CCO2;DLXDEVWCBDBNCB-UHFFFAOYSA-N;122.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196562;MM196562;C=c1cc2c(o1)=NOC2;BCBWQIRGUOZETK-UHFFFAOYSA-N;123.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196563;MM196563;Cn1nc2nncc-2[nH]1;KEKJVCDPPCGFTN-UHFFFAOYSA-N;123.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196564;MM196564;Cn1nc2ncnc-2[nH]1;WZWXZDVSIRSQAU-UHFFFAOYSA-N;123.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196565;MM196565;C=c1cc2c(o1)=CC=C2;YTAICXQGMSWENJ-UHFFFAOYSA-N;118.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196566;MM196566;C=c1cc2c(o1)=NN=C2;QKRYXWADOZXUFE-UHFFFAOYSA-N;120.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196567;MM196567;Cn1cc2nnnc-2[nH]1;ZJBNTUJRTQBTFF-UHFFFAOYSA-N;123.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196568;MM196568;C=CC1CC(C#N)(CO)N1;AYDTWZDFOIMDNY-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196569;MM196569;On1cc2nnnc-2[nH]1;SYEFRGNROAHBNJ-UHFFFAOYSA-N;125.09;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196570;MM196570;Cn1nc2nccc-2[nH]1;HORYPYYTCQUHBM-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196571;MM196571;Cn1nc2nnnc-2[nH]1;LVWRPTSRAYXSOP-UHFFFAOYSA-N;124.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196572;MM196572;O=c1cc2o[nH]cc-2[nH]1;PJJUWNFHKOXQEJ-UHFFFAOYSA-N;124.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196573;MM196573;CC1Cc2cc(O)cn21;TYOFKEIZRBHUNT-UHFFFAOYSA-N;123.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196574;MM196574;CC1Oc2cn(O)cc21;BTTMLRPZNUVBFP-UHFFFAOYSA-N;125.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196575;MM196575;CN1Cc2cn(O)cc21;HDZBXCAMDRALPJ-UHFFFAOYSA-N;124.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196576;MM196576;CCCC1CC2CC2C1;BJCNNSYDEWZTGY-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196577;MM196577;NCCC1CC2CC2C1;ATONPUNYALKIJC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196578;MM196578;CCCN1CC2CC2C1;IIKQRRYMBUEZBT-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196579;MM196579;NCCN1CC2CC2C1;HGFCITIEXGVREG-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196580;MM196580;CCCC1CC2OC2C1;VLHGQIJXNMBGIS-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196581;MM196581;NCCC1CC2OC2C1;CTGSMYWNKAYXQN-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196582;MM196582;CCNC1CC2OC2C1;UEAHHORKQVFFIS-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196583;MM196583;CCCC1CC2CN2C1;NUASBONTVKAWGR-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196584;MM196584;C=CCC1CC2CC2N1;GQIKKVYMIWNQCC-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196585;MM196585;N#CCN1CC2CC2C1;BHRNXRKGBSYXNF-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196586;MM196586;N#CCC1CC2OC2C1;QTSWTKASQVPXAC-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196587;MM196587;C=CCC1CC2CN2C1;LBEAMEJLSSWIQM-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196588;MM196588;C#CCC1CC2CC2C1;ZJPAZZFKIFXBHA-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196589;MM196589;C#CCC1CC2CC2O1;SUVRMUFTYAYGNX-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196590;MM196590;CC=CC1CC2CC2N1;XUACIBIWHBHMEQ-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196591;MM196591;CC=CC1CC2CC2O1;KPAHWWLKVJBPFU-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196592;MM196592;CN=CN1CC2CC2C1;NVMFXJNQDCZTQP-UHFFFAOYSA-N;124.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196593;MM196593;CC=NN1CC2CC2C1;SWYYGHCRFAXDPW-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196594;MM196594;CN=CN1CC2NC2C1;FCEIVUCNEWTNCO-UHFFFAOYSA-N;125.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196595;MM196595;CC=NN1CC2NC2C1;PZQRNAHHQBRTQV-UHFFFAOYSA-N;125.18;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196596;MM196596;CC=CC1CC2OC2C1;MKPQEXUYWXRFIX-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196597;MM196597;CN=CN1CC2OC2C1;DXKPTNJYAVXEHE-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196598;MM196598;CC=NN1CC2OC2C1;PJWMWPAWHVNIKC-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196599;MM196599;CC#CC1CC2CC2C1;LNLVZHLOYHDDFZ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196600;MM196600;CCC=C1CC2CC2C1;QWTMIYZWHMKMHC-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196601;MM196601;NCC=C1CC2CC2C1;GCYJFIQUDUDAAJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196602;MM196602;OCC=C1CC2CC2C1;VLDTVOPNEUIICC-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196603;MM196603;CCN=C1CC2CC2N1;WRYONEUSUUDZPM-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196604;MM196604;CCC=C1CC2CC2O1;ZFFXIXJOPUCUPV-UHFFFAOYSA-N;124.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196605;MM196605;NCC=C1CC2CC2O1;AROPCARINOWXDX-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196606;MM196606;NCC=C1CC2NC2C1;WFMKKGVQMKNWPU-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196607;MM196607;CCC=C1CC2OC2C1;XWRQEOIBNCQWHZ-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196608;MM196608;NCC=C1CC2OC2C1;MJVXFADGVGSOOY-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196609;MM196609;NCC=C1CC2CN2C1;VQSIBYVDRDHLKM-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196610;MM196610;N#CC1(CO)CC(C=O)N1;XHWXTUXFMKBMMV-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196611;MM196611;C=CC=C1CC2CC2C1;MPBINQLLMLZBBN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196612;MM196612;O=CC=C1CC2CC2C1;XKUHYEHHHVDEAH-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196613;MM196613;N#CC=C1CC2CC2C1;VYEKBBPPOBAHLM-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196614;MM196614;O=CC=C1CC2CC2N1;GFCGEALHOULQLB-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196615;MM196615;N#CC=C1CC2CC2N1;RMAAAKRIPMBBHB-UHFFFAOYSA-N;120.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196616;MM196616;N=CNC1=NC2CC2C1;NTZLQUJMDGUPBR-UHFFFAOYSA-N;123.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196617;MM196617;N#CC1CC(C#N)(CO)N1;VVGRTMYEVMKPJE-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196618;MM196618;C=CC=C1CC2CC2O1;YKQKWVNVNDWBKZ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196619;MM196619;N#CC=C1CC2CC2O1;AWEHOIUJORXJHO-UHFFFAOYSA-N;121.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196620;MM196620;O=CC=C1NC2CC2N1;ZLWXYZKWUHRFNE-UHFFFAOYSA-N;124.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196621;MM196621;N#CC=C1NC2CC2N1;FESBBHMIWVQEMN-UHFFFAOYSA-N;121.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196622;MM196622;C=CC=C1CC2OC2C1;ZCZJOZOYQCDXHQ-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196623;MM196623;O=CC=C1CC2OC2C1;DPRBAAODSCIJFS-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196624;MM196624;N#CC=C1CC2OC2C1;FWJUUWKETLKFOV-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196625;MM196625;C=NN=C1CC2OC2C1;KSGZVYUWZNXMAD-UHFFFAOYSA-N;124.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196626;MM196626;C=CC=C1CC2CN2C1;PLUPDXQDNTUOMB-UHFFFAOYSA-N;121.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196627;MM196627;O=CC=C1CC2CN2C1;LWERVSAHTJPDHH-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196628;MM196628;N#CC=C1CC2CN2C1;VOTFNZRGLVBGQE-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196629;MM196629;N=CNC1=NN2CC2C1;CEDXTQVWYYXDEK-UHFFFAOYSA-N;124.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196630;MM196630;C#CC=C1CC2CC2C1;FIKAFRZYIIROCA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196631;MM196631;C#CC=C1CC2CC2O1;FJLVQOGKMSTFIU-UHFFFAOYSA-N;120.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196632;MM196632;C#CC=C1CC2OC2C1;CYMIHBDRCUNHMH-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196633;MM196633;CCCC1=CC2CC2C1;KNDISONNTCLLHF-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196634;MM196634;NCCC1=CC2CC2C1;XCNFUBPRFYKHMK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196635;MM196635;CCOC1=CC2CC2C1;WVWRDHZSQJFYPD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196636;MM196636;CCCC1=NC2CC2N1;RZAAQBWCCSCNHU-UHFFFAOYSA-N;124.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196637;MM196637;CCCC1=CC2CC2O1;DHNOMBRVCGBKML-UHFFFAOYSA-N;124.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196638;MM196638;NCCC1=CC2NC2C1;VSNGIBHOADXCTG-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196639;MM196639;CCOC1=CC2NC2C1;YHOLBNUMVHSIMT-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196640;MM196640;CCCC1=CC2OC2C1;KKTTVKVSRPVFJY-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196641;MM196641;NCCC1=CC2OC2C1;FQJVRVILFJXKJU-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196642;MM196642;CNCC1=CC2OC2C1;YRTTXCFZTVHVGU-UHFFFAOYSA-N;125.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196643;MM196643;CCCC1=NN2CC2C1;MVMFUAUKGZFXCO-UHFFFAOYSA-N;124.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196644;MM196644;NCCC1=NN2CC2C1;XKELIXFOJFIFBZ-UHFFFAOYSA-N;125.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196645;MM196645;C=CCC1=CC2CC2C1;GMPXHEXNULBDID-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196646;MM196646;N#CCC1=CC2CC2C1;IOHNNAHXIHRYBO-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196647;MM196647;N=CNC1=CC2CC2C1;UABPJGTWJOYIRD-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196648;MM196648;O=CNC1=CC2CC2C1;CVTBFQLWITUTFQ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196649;MM196649;C=COC1=CC2CC2C1;SAFIIMFVLKSHPU-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196650;MM196650;C=CN=C1CC2CC2N1;GNXUGBIKJQXRRG-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196651;MM196651;C=CCC1=NC2CC2N1;MUJLAPDJFIJHNB-UHFFFAOYSA-N;122.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196652;MM196652;C=CNC1=NC2CC2N1;OMAJSSAWQBDHAJ-UHFFFAOYSA-N;123.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196653;MM196653;C=CCC1=CC2CC2O1;ZDNWORNWFLZUGR-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196654;MM196654;N#CCC1=CC2CC2O1;TVIILCRREMMVGD-UHFFFAOYSA-N;121.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196655;MM196655;N=CNC1=CC2CC2O1;SZKZTSBXOHAEOC-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196656;MM196656;N=CNC1=CC2NC2C1;RHTAWYHIAYZESF-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196657;MM196657;C=COC1=CC2NC2C1;BZOSNAKPLJNENP-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196658;MM196658;C=CCC1=CC2OC2C1;QDVHBCGIQLIVPJ-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196659;MM196659;O=CCC1=CC2OC2C1;NLBNQKZOLJMWNJ-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196660;MM196660;N#CCC1=CC2OC2C1;YWRMVIRKVYWZNN-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196661;MM196661;N=CNC1=CC2OC2C1;QKPZBYIWVUPLRA-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196662;MM196662;O=CNC1=CC2OC2C1;UKBJCWQEFGZCHW-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196663;MM196663;C=COC1=CC2OC2C1;RDBKNMDWTYFREP-UHFFFAOYSA-N;124.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196664;MM196664;C=CCC1=NN2CC2C1;WWRFHFCABGVYTH-UHFFFAOYSA-N;122.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196665;MM196665;N#CCC1=NN2CC2C1;NEZPEBYILKOZQK-UHFFFAOYSA-N;121.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196666;MM196666;C=COC1=NN2CC2C1;JAPLZQHYCLPHJZ-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196667;MM196667;N#CC1(CO)CC(F)CN1;VQLYGSJOMRYIAW-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196668;MM196668;N#CCC1=CC2CN2C1;YUQNXTCTKUZYFL-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196669;MM196669;N=CNC1=CC2CN2C1;JTKOPTCBNADKQE-UHFFFAOYSA-N;123.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196670;MM196670;COC(=N)N(O)C(C)C=O;ISGGEEUVWDUWLT-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196671;MM196671;C=COC1=CC2CN2C1;NSPDTJUEBADTSJ-UHFFFAOYSA-N;123.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196672;MM196672;C#CCC1=CC2CC2C1;XZBHAHFSZNMXIR-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196673;MM196673;C#CCC1=CC2CC2O1;SDCQYMRAVRQFSK-UHFFFAOYSA-N;120.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196674;MM196674;C#CCC1=CC2OC2C1;HCGYSDGHWMAHSG-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196675;MM196675;C#CCC1=NN2CC2C1;KVQLCXMUVPGAPP-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196676;MM196676;CC=CC1=CC2CC2C1;CZOJHWCNPJWOMO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196677;MM196677;NN=CC1=CC2CC2C1;WRRCZONLLQJVBY-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196678;MM196678;NC=CC1=NC2CC2N1;GGYGTLRYZRSOEJ-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196679;MM196679;CC=CC1=CC2CC2O1;DROQYFXUQZXBSY-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196680;MM196680;CC=CC1=CC2OC2C1;RUXNIQMVQIPZPH-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196681;MM196681;NN=CC1=CC2OC2C1;CBOYZHFFFKANSP-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196682;MM196682;CC=CC1=NN2CC2C1;MRMUGHWIGTYNHV-UHFFFAOYSA-N;122.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196683;MM196683;CC#CC1=CC2CC2C1;BRDQOYFFCXWIBM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196684;MM196684;CC#CC1=CC2NC2C1;TUWOKGIHHNBPKU-UHFFFAOYSA-N;119.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196685;MM196685;CC#CC1=CC2OC2C1;VYVBIBXDDXUUCS-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196686;MM196686;CC#CC1=NN2CC2C1;VHMUPDQDFIANOX-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196687;MM196687;CC12CC3CC3C1C2N;AGADWSJKUPXPAP-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196688;MM196688;OC1C2C3CC3CC12O;IPFINIGBSXPKPV-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196689;MM196689;OC1C2C3CC3CC12F;ZVSHEPROECUJFQ-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196690;MM196690;CC1CC1CC1CC1C;WWXGBMZROYHRPZ-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196691;MM196691;CC1CC1CC1CC1F;AVFQSPKUQLJVFL-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196692;MM196692;CC1CC1NC1CC1C;PSWDLTLFQXNPFB-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196693;MM196693;CC1OC1CC1OC1C;UWDUOGQHDNOSPV-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196694;MM196694;CC1CN1CC1CC1N;PUAAMXMSHOUUDA-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196695;MM196695;CC(C)C1=NN2CC2C1;VCVYASSCVNPIIM-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196696;MM196696;CCC(CC)(CC)CF;ZIWLKPMHTMUBDC-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196697;MM196697;CCC(CC)(CN)CF;VEOOZTNJHPQYAQ-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196698;MM196698;CCC(CN)(CN)CO;WFHVWRGPRJFUMG-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196699;MM196699;CCC(CN)(CO)CO;PPLGQRAGHWPJDS-UHFFFAOYSA-N;133.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196700;MM196700;CCC(CN)(CF)CF;KURJXCDZFLRPTR-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196701;MM196701;CCC(CO)(CO)CO;ZJCCRDAZUWHFQH-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196702;MM196702;CCC(CO)(CF)CF;UJJBBUQEQXECFX-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196703;MM196703;CCC(CF)(CF)CF;CTLJYKHJKNQUHA-UHFFFAOYSA-N;140.15;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196704;MM196704;NCC(CN)(CN)CN;VVJIVFKAROPUOS-UHFFFAOYSA-N;132.21;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196705;MM196705;NCC(CN)(CN)CO;VMQAGVBDNJCBSQ-UHFFFAOYSA-N;133.2;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196706;MM196706;NCC(CO)(CO)CO;QHQZEEGNGSZBOL-UHFFFAOYSA-N;135.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196707;MM196707;OCC(CO)(CO)CF;RLPAUNDJRCURHU-UHFFFAOYSA-N;138.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196708;MM196708;FCC(CF)(CF)CF;ACBHFORVXDMTHO-UHFFFAOYSA-N;144.11;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196709;MM196709;CCC(CN)(CF)NC;QKMHPDKCMLGBRZ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196710;MM196710;CNC(CN)(CO)CO;MVMKDVPZGAUNGT-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196711;MM196711;CNC(CO)(CO)CO;KIHOFAGVAMNMHH-UHFFFAOYSA-N;135.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196712;MM196712;CNC(CF)(CF)CF;LIKPZJLWJROUGK-UHFFFAOYSA-N;141.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196713;MM196713;CCC(CC)(CO)OC;OLQINASFYRQKHX-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196714;MM196714;CCC(CO)(CO)OC;VKLNSFUTOROBII-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196715;MM196715;COC(CN)(CO)CO;GCFPTCXWSJPVEG-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196716;MM196716;COC(CN)(CO)CF;ILFMSYCTGQHJIP-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196717;MM196717;COC(CO)(CO)CF;KQIWNZAZLHBYOK-UHFFFAOYSA-N;138.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196718;MM196718;CCC(CF)(OC)OC;WHKPBSHBHRDJRY-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196719;MM196719;C=CC(CC)(CC)CN;JJCLKGVCFFHAHT-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196720;MM196720;CCC(C=O)(CC)CF;GHEPZRXKNTVZQD-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196721;MM196721;C=CC(CC)(CN)CN;QKOWNPKUYMSZAH-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196722;MM196722;CCC(C=O)(CO)CF;AERKRUYPLWEHNP-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196723;MM196723;CCC(C=O)(CF)CF;LZWMKESAUJPCSQ-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196724;MM196724;C=CC(CN)(CN)CN;JMAWMKDRBZFEBE-UHFFFAOYSA-N;129.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196725;MM196725;C=CC(CO)(CO)CO;JWOACSMESNKGGJ-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196726;MM196726;O=CC(CO)(CO)CO;JCQKQWAONVEFJC-UHFFFAOYSA-N;134.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196727;MM196727;O=CC(CO)(CO)CF;PNPPODICMFIYJU-UHFFFAOYSA-N;136.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196728;MM196728;N#CC(CO)(CO)CF;SWDMUYFDUALNIN-UHFFFAOYSA-N;133.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196729;MM196729;C=CC(CO)(CO)NC;YJUJDTMQPQKOOB-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196730;MM196730;C#CC(ON=CC)C(C)O;QQYYEJZSCVODLB-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196731;MM196731;CCC(C=O)(CO)OC;XIOKFJHIHCCYRJ-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196732;MM196732;C=CC(CN)(CO)OC;RAOMSMYOBPFEKC-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196733;MM196733;C=CC(CN)(CF)OC;WPLPHZBVGCRQPN-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196734;MM196734;C=CC(CO)(CO)OC;LMVYBRPJXUAZQT-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196735;MM196735;CCC(C=O)(OC)OC;PYCLUSHQTGHIGY-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196736;MM196736;C#CC(CC)(CN)CF;HGXUXUSPXRRYBR-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196737;MM196737;C#CC(CC)(CO)CF;CZBLZRDPPFMEQH-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196738;MM196738;C#CC(CN)(CF)CF;JZFWEYWGDFYJEP-UHFFFAOYSA-N;133.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196739;MM196739;C#CC(CO)(CO)CO;UMSDWPUVTKDLDE-UHFFFAOYSA-N;130.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196740;MM196740;C#CC(CF)(CF)CF;OYEFBFMWWNOZLQ-UHFFFAOYSA-N;136.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196741;MM196741;C#CC(CC)(CN)NC;VRJDJJYUEDYRCP-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196742;MM196742;C#CC(CC)(CN)OC;CCUQAPRXAWSFCV-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196743;MM196743;C#CC(CC)(CO)OC;DFJGFEDBAGUARC-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196744;MM196744;CCC(C=O)(C=O)CC;OVXFFARDOACPKT-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196745;MM196745;C=CC(C=O)(CC)CO;LCHIJYHSTFYGAV-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196746;MM196746;CCC(C#N)(C=O)CO;ZDYIVJHIFKMNOJ-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196747;MM196747;C=CC(C=C)(CN)CF;GBYLJAYXVDFTGJ-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196748;MM196748;C=CC(C=O)(CO)CO;JDCRONGWDDEAEJ-UHFFFAOYSA-N;130.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196749;MM196749;C=CC(C=C)(CC)NC;CZYOHUSZTLHYHE-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196750;MM196750;CNC(C#N)(C=O)CF;ZQELXWHLGSVXNP-UHFFFAOYSA-N;130.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196751;MM196751;C=CC(C=C)(CO)OC;WMWUGQJJNGQUNE-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196752;MM196752;COC(C#N)(C#N)OC;OUXUFNGSYCRGMD-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196753;MM196753;C#CC(C=O)(CC)CF;IQLPUHNDKKSOOY-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196754;MM196754;C#CC(C#N)(CF)CF;FWMMXXZRELTLAD-UHFFFAOYSA-N;129.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196755;MM196755;C#CC(C=O)(CF)NC;BPGMLTWIWFBOEY-UHFFFAOYSA-N;129.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196756;MM196756;C#CC(C#N)(CF)NC;YRBFBLJOIRDXQT-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196757;MM196757;C#CC(C=O)(CF)OC;RMMJILBBBSBFSR-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196758;MM196758;C#CC(C#C)(CF)OC;COAMLQQRBBSPNF-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196759;MM196759;C=CC(C=C)(C=O)CC;MVCHEGHXOYOZFQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196760;MM196760;CCC(C=NOC)C(N)=O;CLUSHACVZMVLPV-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196761;MM196761;C=CC(C#N)(C#N)CO;CQEYDXZATNVNTM-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196762;MM196762;C=CC(C=C)(C=O)CF;HNWMGHCBMRJXRY-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196763;MM196763;C=CC(C=O)(C=O)NC;HKABFZZJJMDQKT-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196764;MM196764;C=CC(C#N)(C=O)NC;FXHJJPHLUKBLND-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196765;MM196765;CNC(C=O)(C=O)C=O;WYLRLYZAFGXJHP-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196766;MM196766;C=CC(C#N)(C=O)OC;XFRVLXLUZCMDNR-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196767;MM196767;C=CC(C#N)(C#N)OC;ZFLAUXHNHOJUHE-UHFFFAOYSA-N;122.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196768;MM196768;COC(C#N)(C=O)C=O;KLZPJWQOXGCHPE-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196769;MM196769;C#CC(C#N)(C=C)OC;MOYMTMFEJXQXDF-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196770;MM196770;C=CC(C=C)(C=O)C=O;ZJRIYABMVQSJEF-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196771;MM196771;CCC(CN)C(C)CO;ULRABALUCQDIMW-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196772;MM196772;CCC(CO)C(C)CN;AVMWPENTVMRXOF-UHFFFAOYSA-N;131.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196773;MM196773;CCC(CO)C(C)CO;IFPWAVCXUHSXDW-UHFFFAOYSA-N;132.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196774;MM196774;CCC(CF)C(C)CN;NVODEBZUDWMGQE-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196775;MM196775;CCC(CF)C(C)CO;VYWKBALHTQUKDJ-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196776;MM196776;CCC(CF)C(C)CF;BMYPKUJAZLVVKH-UHFFFAOYSA-N;136.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196777;MM196777;CCC(C)C(CN)CF;WCRCRTROXWJHKI-UHFFFAOYSA-N;133.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196778;MM196778;CC(CN)C(CO)CO;PRRWCPOYNZETNF-UHFFFAOYSA-N;133.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196779;MM196779;CC(CO)C(CO)CO;VJCZMIBTFRVIEB-UHFFFAOYSA-N;134.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196780;MM196780;CC(CN)C(CO)CF;GAAYLOCKRXPMOS-UHFFFAOYSA-N;135.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196781;MM196781;CCC(CC)C(N)CN;MFXNMXAUQXIAHJ-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196782;MM196782;CCC(CC)C(N)CO;MECYGYIMGAWTEK-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196783;MM196783;CCC(N)C(CC)CN;ZZAMUYGSCFDVAP-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196784;MM196784;CCC(CN)C(N)CO;PZPCHUZNQSWRHE-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196785;MM196785;CCC(CN)C(N)CF;FNBGQIUBUPBLAM-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196786;MM196786;CCC(CF)C(N)CF;RFVYJIVFDHQPRE-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196787;MM196787;CCC(N)C(CO)CO;SYZUAYUNLUCJLW-UHFFFAOYSA-N;133.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196788;MM196788;CCC(N)C(CF)CF;YXPLIXFWYZOEHE-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196789;MM196789;NCC(N)C(CF)CF;JCZXCBOOHQXERW-UHFFFAOYSA-N;138.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196790;MM196790;CCC(CC)C(O)CN;NGNXQZFLANJCHW-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196791;MM196791;CCC(CC)C(O)CO;PDCKNPMMKUVUGU-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196792;MM196792;CCC(O)C(CC)CN;UPVSZHJAUAVPBW-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196793;MM196793;CCC(CN)C(O)CN;CXHFODZYJQXPTG-UHFFFAOYSA-N;132.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196794;MM196794;CCC(O)C(CN)CF;WPYBGGROASPRTH-UHFFFAOYSA-N;135.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196795;MM196795;CCC(O)C(CO)CO;CJPZLUVQYODCFM-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196796;MM196796;OCC(CO)C(O)CF;NPZHJDGYAWYABO-UHFFFAOYSA-N;138.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196797;MM196797;CCC(O)C(CO)CF;VGCWBFZMOQFEET-UHFFFAOYSA-N;136.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196798;MM196798;CCC(O)C(CF)CF;JBSXNEIOPBPORV-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196799;MM196799;CCC(CN)C(F)CN;ZMJBVCPIXXUDKI-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196800;MM196800;CCC(CN)C(F)CF;BNAMTUZPFIYJIT-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196801;MM196801;CCC(CF)C(F)CN;HXUSLXHTRVSGOG-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196802;MM196802;CCC(F)C(CN)CN;JYMSEVJHOSUGKB-UHFFFAOYSA-N;134.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196803;MM196803;CCC(F)C(CN)CF;HXHYZXOBGFXOEK-UHFFFAOYSA-N;137.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196804;MM196804;CCC(F)C(CO)CF;YLGHWMYKKGABIO-UHFFFAOYSA-N;138.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196805;MM196805;CCC(CC)C(C)NC;MFPNTSYWVHFIJZ-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196806;MM196806;CCC(CF)C(C)NC;NXHOARFAHWPXJG-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196807;MM196807;CNC(C)C(CN)CF;KAJITLXXGPISEO-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196808;MM196808;CNC(C)C(CO)CO;QKGRNGURIJLFQN-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196809;MM196809;CCC(CN)C(C)OC;YATPPZPGVSVQCY-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196810;MM196810;COC(C)C(CN)CF;FQRFOGCFQYKKEE-UHFFFAOYSA-N;135.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196811;MM196811;CCC(NC)C(C)CF;QKCBITFMPWCFKV-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196812;MM196812;CNC(CN)C(C)CF;DODRLOXYZQYJTP-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196813;MM196813;CCC(C)C(CF)NC;PYKQJKRHYCFPPK-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196814;MM196814;CNC(CF)C(C)CN;YULBIVDXLFUWCX-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196815;MM196815;CCC(N)C(CC)NC;KESXOOLPHSBXHK-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196816;MM196816;CCC(NC)C(N)CF;XVPGFYQCXSGNSP-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196817;MM196817;CNC(CO)C(N)CN;MOYCBRZEZSRCCI-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196818;MM196818;CNC(CO)C(N)CO;AACFWWYNPPTLER-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196819;MM196819;CCC(O)C(CC)NC;NHQXOCXJVCZEAJ-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196820;MM196820;CNC(CO)C(O)CN;FBMYFEYTMGDUGO-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196821;MM196821;CNC(CO)C(O)CO;RWCBDCPPUNNWCS-UHFFFAOYSA-N;135.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196822;MM196822;CNC(CO)C(O)CF;PXMUPNRBVFVEAK-UHFFFAOYSA-N;137.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196823;MM196823;CCC(NC)C(F)CN;AXRALGMCMQNIJB-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196824;MM196824;CCC(NC)C(F)CF;OFDRIFSOEDSNMH-UHFFFAOYSA-N;137.17;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196825;MM196825;CCC(F)C(CN)NC;UWSCLXLQDFQNEX-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196826;MM196826;CCC(NC)C(C)NC;VEICIAPZSWHPKT-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196827;MM196827;CNC(C)C(CF)NC;GVOPEVZUGKCXKY-UHFFFAOYSA-N;134.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196828;MM196828;CNC(CO)C(C)OC;AUVGMODKECMJIG-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196829;MM196829;CCC(C)C(CO)OC;FWBDMHGUNVQYON-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196830;MM196830;COC(CO)C(N)CN;ZZJAKHZWZBVBGL-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196831;MM196831;COC(CO)C(N)CO;LUCCGOLUWOKECG-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196832;MM196832;CCC(OC)C(O)CF;VARTXQVTYZNHOX-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196833;MM196833;CCC(O)C(CO)OC;FUKFPVSUJVRZNL-UHFFFAOYSA-N;134.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196834;MM196834;COC(CO)C(O)CN;MMFWCFYHOKYTNN-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196835;MM196835;COC(CO)C(O)CO;HBFVGNNUERJWAP-UHFFFAOYSA-N;136.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196836;MM196836;COC(CO)C(O)CF;PFSMYUSSRVDWBX-UHFFFAOYSA-N;138.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196837;MM196837;COC(CF)C(O)CF;UIIUFCBRBYZHDA-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196838;MM196838;COC(CO)C(F)CO;WFVYMWXSXOKKSR-UHFFFAOYSA-N;138.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196839;MM196839;COC(CO)C(F)CF;YXHBRYJKWXZRRL-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196840;MM196840;COC(CF)C(F)CO;ZAXAAZOFIRNWGS-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196841;MM196841;CNC(C)C(CO)OC;PRVBUPJIDVSBAZ-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196842;MM196842;COC(C)C(CN)OC;OIJTVQGTUJTGGV-UHFFFAOYSA-N;133.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196843;MM196843;CCC(C)C(OC)OC;JGOGDQQVGHYHOP-UHFFFAOYSA-N;132.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196844;MM196844;COC(OC)C(C)CN;MZYWCTXRZYITBI-UHFFFAOYSA-N;133.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196845;MM196845;COC(OC)C(C)CF;LJXLRWVECZLVJU-UHFFFAOYSA-N;136.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196846;MM196846;CCC(N)C(OC)OC;GFUOIQFPJDKRCI-UHFFFAOYSA-N;133.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196847;MM196847;COC(OC)C(N)CN;HTZLWXRZZPKXEX-UHFFFAOYSA-N;134.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196848;MM196848;COC(OC)C(N)CO;GPVVJSFQPJYQTI-UHFFFAOYSA-N;135.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196849;MM196849;COC(OC)C(O)CN;GZUJPQXJJYYDBX-UHFFFAOYSA-N;135.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196850;MM196850;COC(OC)C(O)CF;YSAXHVFWGJXNTA-UHFFFAOYSA-N;138.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196851;MM196851;COC(OC)C(F)CN;RVWMAUJPTFTAEY-UHFFFAOYSA-N;137.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196852;MM196852;CCN(C)C(CN)CO;YRZIASJTGUAEFG-UHFFFAOYSA-N;132.21;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196853;MM196853;CCN(C)C(CO)CO;APXUWIRGDASPJA-UHFFFAOYSA-N;133.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196854;MM196854;CCN(CC)C(C)CN;JNFLSJUGIONDMJ-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196855;MM196855;CCN(CC)C(C)CF;NICGTBXWPCOFNE-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196856;MM196856;C=CC(C)C(CC)CN;HRAANVHWDYQGDY-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196857;MM196857;CCC(CO)C(C)C=O;DRJJSWMPMZJPON-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196858;MM196858;CCC(CF)C(C)C=O;PNUFEVVPMCXAFL-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196859;MM196859;CC(C=O)C(CO)CO;JPDZBCISSSXCAP-UHFFFAOYSA-N;132.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196860;MM196860;CC(C=O)C(CO)CF;LTLBPHXLUGRIHO-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196861;MM196861;C=CC(C)C(CF)CF;MHYDWEBBYWRKRH-UHFFFAOYSA-N;134.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196862;MM196862;CC(C=O)C(CF)CF;MNJWKOGGEKNRFN-UHFFFAOYSA-N;136.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196863;MM196863;C=CC(N)C(CC)CN;GASIEPCJOGHIEU-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196864;MM196864;C=CC(N)C(CC)CF;JEEDLAAYIXSPGP-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196865;MM196865;C=CC(N)C(CN)CF;SROPDAPDTDIBFE-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196866;MM196866;C=CC(N)C(CO)CO;FSPGOMPZPAZPCA-UHFFFAOYSA-N;131.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196867;MM196867;C=CC(O)C(CC)CO;WMRUBNUCKKUKIT-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196868;MM196868;CCC(CF)C(O)C#N;KUYKWUBPJZXKDE-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196869;MM196869;O=CC(O)C(CF)CF;XTLSZKNZSUWTGZ-UHFFFAOYSA-N;138.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196870;MM196870;CCC(CF)C(F)C#N;QIQIDZBLYSSDOJ-UHFFFAOYSA-N;133.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196871;MM196871;C=CC(F)C(CN)CO;RLTCTDMNVLCDOY-UHFFFAOYSA-N;133.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196872;MM196872;O=CC(F)C(CO)CO;NJCKXSKKWWTBDG-UHFFFAOYSA-N;136.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196873;MM196873;C=CC(F)C(CF)CF;QNHDPYSFGSNCFA-UHFFFAOYSA-N;138.13;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196874;MM196874;N#CC(F)C(CF)CF;KFGCBORROMRXAO-UHFFFAOYSA-N;137.1;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196875;MM196875;CCC(NC)C(C)C=O;ATIRDGCVNLCGEN-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196876;MM196876;C=CC(C)C(CF)NC;QWLACXJJHVYDSQ-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196877;MM196877;CNC(CF)C(C)C=O;OOVYYSLJJBQELC-UHFFFAOYSA-N;133.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196878;MM196878;C=CC(N)C(CC)NC;GEDUFHJIHCIOHK-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196879;MM196879;C=CC(N)C(CO)NC;XBSQGOIRQBEJKS-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196880;MM196880;CCC(NC)C(O)C=O;GTCAEXCIEYZBSU-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196881;MM196881;C=CC(O)C(CN)NC;MMCFTAOVTHRVPF-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196882;MM196882;CNC(CO)C(O)C=O;ZDGWISBJRQKOAF-UHFFFAOYSA-N;133.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196883;MM196883;C=CC(F)C(CN)NC;UVJMGTBHBJOSAM-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196884;MM196884;COC(CO)C(C)C=O;LJZBVCQVZDGCKP-UHFFFAOYSA-N;132.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196885;MM196885;COC(CO)C(C)C#N;RTDZMPSBRIKVCO-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196886;MM196886;C=CC(N)C(CO)OC;CLRHDSKSLHGKPI-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196887;MM196887;CCC(OC)C(O)C=O;CSTCYNRULOVIBI-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196888;MM196888;COC(CO)C(O)C=O;XEHOPEHLFNOBKT-UHFFFAOYSA-N;134.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196889;MM196889;COC(OC)C(O)C=O;PAHLNZZCBQUVJZ-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196890;MM196890;COC(OC)C(F)C=O;KBRJSRCNLWROCF-UHFFFAOYSA-N;136.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196891;MM196891;CCC(CN)N(C)C=N;KLSONANIKMHEFX-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196892;MM196892;CCC(CN)N(C)C=O;TYHXIOCNVIMMJK-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196893;MM196893;CCC(CO)N(C)C=N;NSPOODGOPFABCE-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196894;MM196894;CCC(CO)N(C)C=O;GZRYZUDMZUXBPT-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196895;MM196895;CCC(CF)N(C)C=N;KBKSEWKVXSGMCE-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196896;MM196896;CN(C=N)C(CN)CO;IGHNMZOFJLNOSW-UHFFFAOYSA-N;131.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196897;MM196897;CN(C=O)C(CF)CF;SXCNLAQLHUILLT-UHFFFAOYSA-N;137.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196898;MM196898;CCC(CO)N(N)C=N;QAQMFPZGCCEKEZ-UHFFFAOYSA-N;131.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196899;MM196899;C#CCON=C(CO)CO;KEDOZVPCUQVLMY-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196900;MM196900;C#CC(CO)=NNCCF;RSTMDMHUUPGRQI-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196901;MM196901;C=NN(C)C(CC)CN;OMRZLEITJVWFNR-UHFFFAOYSA-N;129.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196902;MM196902;C=NN(C)C(CN)CO;XFLRQQKODMYWAN-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196903;MM196903;C#CC(C)C(CC)CN;MIKXIAYFXQZLJM-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196904;MM196904;C#CC(C)C(CN)CN;XNAIQSSUZBLLOJ-UHFFFAOYSA-N;126.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196905;MM196905;C#CC(C)C(CO)CO;RMHXPXLKXLNWOS-UHFFFAOYSA-N;128.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196906;MM196906;C#CC(C)C(CF)CF;XSEHYVGGHNYGRN-UHFFFAOYSA-N;132.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196907;MM196907;C#CC(N)C(CC)CF;YHEZCDZSKUUCBD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196908;MM196908;C#CC(N)C(CN)CF;CQUYFZQNOBVRJQ-UHFFFAOYSA-N;130.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196909;MM196909;C#CC(N)C(CF)CF;UNQWYAVTVADUAV-UHFFFAOYSA-N;133.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196910;MM196910;C#CC(O)C(CN)CO;MCIFBEMWCYMTJL-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196911;MM196911;C#CC(O)C(CN)CF;WCWQXXXUKXCMPN-UHFFFAOYSA-N;131.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196912;MM196912;C#CC(O)C(CO)CO;PORWLGJDZDTADL-UHFFFAOYSA-N;130.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196913;MM196913;C#CC(F)C(CC)CN;RVJBVITZJUKUPM-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196914;MM196914;C#CC(F)C(CC)CF;YHKVLBRHGHSDGC-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196915;MM196915;C#CC(F)C(CO)CO;MGQCNXHWPLAWPU-UHFFFAOYSA-N;132.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196916;MM196916;C#CC(N)C(CC)NC;OVCBGKWXSLZUNR-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196917;MM196917;C#CC(O)C(CO)NC;RVBYURKUPQZITD-UHFFFAOYSA-N;129.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196918;MM196918;C#CC(O)C(CO)OC;WMDYHAYQMUPSDO-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196919;MM196919;C#CC(F)C(CN)OC;RHIDACMPVYVOFF-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196920;MM196920;C#CC(F)C(CF)OC;ZNPPAFHQTTUESJ-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196921;MM196921;C#CC(C)C(OC)OC;MOOKWNBBUYLCNY-UHFFFAOYSA-N;128.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196922;MM196922;C=CC(CC)C(C)CN;SNNWYXYPFNJJMN-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196923;MM196923;C#CC(CO)=NNC=NN;CFGKJTUDHVTPAG-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196924;MM196924;C=CC(CC)C(C)CF;NKQBTBHZWQMOQE-UHFFFAOYSA-N;130.21;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196925;MM196925;CCC(C)C(C=O)CC;FBQWJRWQCDONFI-UHFFFAOYSA-N;128.22;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196926;MM196926;CCC(C=O)C(C)CF;YDRXMQRMGOJSDJ-UHFFFAOYSA-N;132.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196927;MM196927;C=CC(CN)C(C)CC;DEGOIFDMGXFWPM-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196928;MM196928;CCC(C)C(C=O)CO;WUWXNCAMLAYCPP-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196929;MM196929;CC(CF)C(C=O)CO;HEGRIYZXOYRPMI-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196930;MM196930;C=CC(CF)C(C)CO;RPHGIUHOQGXWKR-UHFFFAOYSA-N;132.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196931;MM196931;CC(CO)C(C=O)CF;FLCTVDOSHGLJCY-UHFFFAOYSA-N;134.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196932;MM196932;CC(CF)C(C=O)CF;CSJDNZSTXZTAKV-UHFFFAOYSA-N;136.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196933;MM196933;C=CC(CC)C(N)CC;NKLZRPRVKUAADS-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196934;MM196934;C=CC(CN)C(N)CN;XBWYCHVGLBOGFP-UHFFFAOYSA-N;129.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196935;MM196935;C=CC(CN)C(N)CO;OGRSQAKJSUAOSJ-UHFFFAOYSA-N;130.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196936;MM196936;N#CC(CO)C(O)CO;GYEFDCXBSMGLDH-UHFFFAOYSA-N;131.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196937;MM196937;O=CC(CO)C(O)CF;MEAOUYDNBYUXQH-UHFFFAOYSA-N;136.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196938;MM196938;N#CC(CO)C(O)CF;MRSQNMYWVDKBRF-UHFFFAOYSA-N;133.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196939;MM196939;C=CC(CF)C(O)CC;BGJPQBFMASTKEK-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196940;MM196940;C=CC(CF)C(O)CN;RCNIKPPTLXISRM-UHFFFAOYSA-N;133.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196941;MM196941;C=CC(CF)C(O)CO;UEPWKPQHOFEMOX-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196942;MM196942;C=CC(CF)C(O)CF;MFOFOMNZIHKOND-UHFFFAOYSA-N;136.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196943;MM196943;N#CC(CF)C(O)CF;MHXIAOQPZVQNAM-UHFFFAOYSA-N;135.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196944;MM196944;C=CC(CC)C(F)CN;DXJAHKIKIRUHMN-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196945;MM196945;CCC(C=O)C(F)CO;NGBVYSKEBCHPAC-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196946;MM196946;CCC(C#N)C(F)CO;FHEHXVXLJJZMPG-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196947;MM196947;CCC(C=O)C(F)CF;DMPGAEUFLHIUAX-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196948;MM196948;C=CC(CN)C(F)CC;SMBADSOJHZQSFB-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196949;MM196949;C=CC(CN)C(F)CO;BIBBPJQIEVEEFL-UHFFFAOYSA-N;133.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196950;MM196950;C=CC(CO)C(F)CO;RIDXDAHNMMGMOP-UHFFFAOYSA-N;134.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196951;MM196951;O=CC(CO)C(F)CO;BTDUWNYLDNRRDC-UHFFFAOYSA-N;136.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196952;MM196952;N#CC(CO)C(F)CO;UZRPKINZGBHHFD-UHFFFAOYSA-N;133.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196953;MM196953;C=CC(CF)C(F)CN;PKRFPDPQYAVSMQ-UHFFFAOYSA-N;135.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196954;MM196954;C=CC(CF)C(F)CO;YBHHHHFQLCVXSN-UHFFFAOYSA-N;136.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196955;MM196955;C=CC(CF)C(F)CF;KEXIEDAYDOOFEH-UHFFFAOYSA-N;138.13;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196956;MM196956;N#CC(CF)C(F)CO;VBRXLRHVJVOWLV-UHFFFAOYSA-N;135.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196957;MM196957;C=CC(CC)C(C)NC;XHDWCZPABVPTRF-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196958;MM196958;COC(C)C(C#N)CO;OSCUGWJQDNIWOW-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196959;MM196959;CCC(C)C(C=O)NC;OPHHSBWXYILWJV-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196960;MM196960;C#CC(CO)=NN1CC1C;BVCAFNMFWHRFJN-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196961;MM196961;C=CCn1ccc(CO)n1;JDJAFGYVUKLTHP-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196962;MM196962;C#CCc1cc(NO)n[nH]1;CZSNIUKZBRVNHO-UHFFFAOYSA-N;137.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196963;MM196963;C=CC(NC)C(F)CN;ZONHICQACCLCHL-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196964;MM196964;COC(C#N)C(C)CO;YZIHWMWFPCWGQI-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196965;MM196965;C=CC(OC)C(O)CN;OJNIHTJMLUNFIV-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196966;MM196966;C=CC(OC)C(O)CO;NEGRAWFXJRVYNV-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196967;MM196967;CCC(O)C(C=O)OC;VYDHVANPSISPAO-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196968;MM196968;COC(C#N)C(O)CO;IYLPFIMCJZWIRI-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196969;MM196969;C=CC(CO)N(C)CC;UNZHSFQRRARKRG-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196970;MM196970;NN=c1n(O)cc(F)n1N;AEUDELKQHKRFQX-UHFFFAOYSA-N;147.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196971;MM196971;CCN(C=N)C(C)CN;WJSWOKAFLXWVAX-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196972;MM196972;CCN(C=N)C(C)CO;PHUYUQBYDPYDJU-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196973;MM196973;CCN(C=N)C(C)CF;LUHZXINYIGVMFG-UHFFFAOYSA-N;132.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196974;MM196974;CCC(C)N(C=O)CC;AYWADBHRVJHYNG-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196975;MM196975;C=NN(CC)C(C)CC;RGGLIDHFMXZZMG-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196976;MM196976;C=NN(CC)C(C)CF;UZIDOSNSSNAXTB-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196977;MM196977;C=CC(C)C(C=O)CC;BCBRYLGSFZGALI-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196978;MM196978;CCC(C=O)C(C)C=O;DHSLAMPGEDECCA-UHFFFAOYSA-N;128.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196979;MM196979;C=CC(CO)C(C)C=O;MYRFGBWTYHSLCH-UHFFFAOYSA-N;128.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196980;MM196980;CC(C=O)C(C=O)CO;XAERAJAVATZJHJ-UHFFFAOYSA-N;130.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196981;MM196981;CC(C=O)C(C#N)CO;JYZNBOCKJZENEF-UHFFFAOYSA-N;127.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196982;MM196982;C=CC(C)C(C=C)CF;CIMDHGXEKZVPBE-UHFFFAOYSA-N;128.19;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196983;MM196983;C=CC(CF)C(C)C=O;HOUAYIJSJVKVHI-UHFFFAOYSA-N;130.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196984;MM196984;C=CC(C)C(C=O)CF;RYNYUSUYIHORQS-UHFFFAOYSA-N;130.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196985;MM196985;C=CC(N)C(C=C)CF;QBPSFEVWWPNZSG-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196986;MM196986;CC=NOC1C(O)C1CC;RDQMQCUPOXQUOD-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196987;MM196987;C=CC(O)C(C#N)CO;DYFGWBXFDJZOOK-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196988;MM196988;O=CC(O)C(C=O)CO;WUBTWNPCKICXSK-UHFFFAOYSA-N;132.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196989;MM196989;N#CC(CO)C(O)C=O;RMNNQJKEIZWBPH-UHFFFAOYSA-N;129.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196990;MM196990;C=CC(O)C(C=C)CF;WDXNHMRTBMNVMX-UHFFFAOYSA-N;130.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196991;MM196991;N#CC(CF)C(O)C=O;KXEKQYGQOLQEGY-UHFFFAOYSA-N;131.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196992;MM196992;N#CC(O)C(C#N)CF;ZSMJYNHXHTUKAG-UHFFFAOYSA-N;128.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196993;MM196993;N#CC(F)C(C=O)CO;BYLPSBKEYVOCMD-UHFFFAOYSA-N;131.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196994;MM196994;N#CC(F)C(C#N)CO;FVVMFCSMDLAKAS-UHFFFAOYSA-N;128.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196995;MM196995;C=CC(CF)C(F)C=O;WSBCOBPSHLPMAV-UHFFFAOYSA-N;134.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196996;MM196996;C=CC(CF)C(F)C#N;ZYBCEXNUUYEPAP-UHFFFAOYSA-N;131.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196997;MM196997;C=CC(F)C(C#N)CF;WIGNKAVHSWQWGP-UHFFFAOYSA-N;131.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196998;MM196998;C=CC(NC)C(O)C=O;HSCMJLVJDKPJFG-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM196999;MM196999;C#CC(CO)=NNC1CC1;RRXVVPIIWQAOGF-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197000;MM197000;COC(C=O)C(O)C=O;KGMLMCQCLZDVPS-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197001;MM197001;COC(C#N)C(O)C=O;NROHNRGMLNPIPQ-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197002;MM197002;C=CC(F)C(C=O)OC;ULVHDPYJOPGGBK-UHFFFAOYSA-N;132.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197003;MM197003;CN(C=O)C(C#N)CF;FGSXJCQPDKDRAE-UHFFFAOYSA-N;130.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197004;MM197004;C=NOC1C(C)C1O;CQBHHCZGIGWHPY-UHFFFAOYSA-N;115.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197005;MM197005;C=C(NC=O)C1CN1;UOSGKFXETUIMEI-UHFFFAOYSA-N;112.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197006;MM197006;CON=C(C)C(C)(C)O;OWFVYPCWNBYAJO-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197007;MM197007;C=NN(C)C(C#N)CF;CXSZTJJXBZRXDI-UHFFFAOYSA-N;129.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197008;MM197008;C=CC(C)N(C=N)CC;LXGYFBZRFADLIY-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197009;MM197009;C=CC(C)N(C=O)CC;OQNKMAQFQRDKOB-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197010;MM197010;C=CC(C)N(CC)N=C;SDAMEXLFYHJJBO-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197011;MM197011;C=CC(C)N(C=N)NC;WFQXVZOKLQQKNS-UHFFFAOYSA-N;127.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197012;MM197012;C#CC(C)C(C=O)CC;WFQKIUZRGOKKLW-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197013;MM197013;C=CNC=NOC(N)=O;HCLRJXNIXREOLI-UHFFFAOYSA-N;129.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197014;MM197014;C#CC(C)C(C=C)CF;NTBCAFQMVVVMGB-UHFFFAOYSA-N;126.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197015;MM197015;C#CC(C)C(C=O)CF;XONQLYOJRWTIML-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197016;MM197016;C#CC(N)C(C=C)CC;ALAWJANRMXQERO-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197017;MM197017;C#CC(N)C(C=C)CF;YPPNYOHXSVHBER-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197018;MM197018;C#CC(O)C(C=C)CC;PRTMQPMYJFWWNS-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197019;MM197019;C#CC(O)C(C#N)CC;DJMFZHHJAURTJU-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197020;MM197020;C#CC(O)C(C=C)CF;WAWNLDNXVUMYSP-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197021;MM197021;C#CC(F)C(C=C)CN;ASSNWKIVDBNEAE-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197022;MM197022;C#CC(F)C(C=O)CO;QOKVYHLGFBFAIH-UHFFFAOYSA-N;130.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197023;MM197023;C#CC(F)C(C=C)CF;QKGCFYFDFKEGLS-UHFFFAOYSA-N;130.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197024;MM197024;CN(O)C(=N)C(F)CO;VTEJORLKZWDAMP-UHFFFAOYSA-N;136.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197025;MM197025;C#CC(C)C(C=O)OC;PXYBOZKXALRRID-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197026;MM197026;C#CC(C)C(C#N)OC;XOHCXMPBVLDMFP-UHFFFAOYSA-N;123.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197027;MM197027;C#CC(C)N(C=N)CC;JQDFXWLHQSHIQS-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197028;MM197028;C#CC(C)N(C=O)CC;UPDNYKIBCPTSLN-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197029;MM197029;C#CC(C)N(CC)N=C;KMWDMOKHTFPEMD-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197030;MM197030;C#CC(CO)C(C)CF;LWSNLVUGTNZGRA-UHFFFAOYSA-N;130.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197031;MM197031;C#CC(CF)C(C)CO;CQZQIQZOGOAPRL-UHFFFAOYSA-N;130.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197032;MM197032;C#CC(CF)C(C)CF;RTNBQMGHMWMMIY-UHFFFAOYSA-N;132.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197033;MM197033;C#CC(CC)C(N)CF;BQNNMQWBWJTNAD-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197034;MM197034;C#CC(CF)C(N)CC;VTBUOAITCYAZAR-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197035;MM197035;C#CC(CF)C(N)CN;OYUWUXWQYWFXIP-UHFFFAOYSA-N;130.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197036;MM197036;C#CC(CF)C(N)CO;WNLNEWKNDSLAKX-UHFFFAOYSA-N;131.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197037;MM197037;C#CC(CF)C(N)CF;GHVQYVKZTBIIHZ-UHFFFAOYSA-N;133.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197038;MM197038;C#CC(CO)C(O)CO;MRFVGHOHMLNPQN-UHFFFAOYSA-N;130.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197039;MM197039;C#CC(CF)C(O)CC;AALBHNVGBQMOMG-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197040;MM197040;C#CC(CF)C(O)CN;TWUKDYUZDGYGPH-UHFFFAOYSA-N;131.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197041;MM197041;C#CC(CF)C(O)CO;UVWXKLUMKDFRCZ-UHFFFAOYSA-N;132.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197042;MM197042;C#CC(CF)C(O)CF;AOGMEBIYERUTOV-UHFFFAOYSA-N;134.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197043;MM197043;C#CC(CO)C(F)CN;CPFVXVYUCOQSIX-UHFFFAOYSA-N;131.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197044;MM197044;C#CC(CF)C(F)CC;HWQRRBYQSVPXMJ-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197045;MM197045;C#CC(CF)C(F)CF;MLDWWEJVOAYDFD-UHFFFAOYSA-N;136.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197046;MM197046;C#CC(NC)C(N)CC;GYKFIRMIGKCLMB-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197047;MM197047;C#CC(NC)C(O)CC;MJHSXQIMYMUFNW-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197048;MM197048;C#CC(OC)C(N)CN;BUWFNUSZCRVZLM-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197049;MM197049;C#CC(OC)C(N)CO;BWMHVFQZVFQSDS-UHFFFAOYSA-N;129.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197050;MM197050;C#CC(OC)C(O)CC;WFMIJDASCQYXAR-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197051;MM197051;C#CC(OC)C(O)CN;YLMXOIAPIMIIDC-UHFFFAOYSA-N;129.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197052;MM197052;C#CC(OC)C(O)CO;UIYADSZOMNTUJM-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197053;MM197053;C#CC(OC)C(F)CN;GGZRTZUVCCMHQB-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197054;MM197054;C#CC(OC)C(C)OC;YJEGFEKBWHGFPA-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197055;MM197055;C#CC(CF)C(C)C=C;MPCKFMGRRMAYGP-UHFFFAOYSA-N;126.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197056;MM197056;C#CC(CF)C(C)C=O;WMHXHOIHNORTSF-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197057;MM197057;C#CC(CO)C(O)C#N;XPCQWDOFPAGLPC-UHFFFAOYSA-N;125.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197058;MM197058;C#CC(CC)C(F)C=O;OYIRMIXTIHUXMA-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197059;MM197059;C#CC(CO)C(F)C=C;KYZKTCUMUPWYJQ-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197060;MM197060;C#CC(CO)C(F)C=O;XKXLJRQMJHTEPF-UHFFFAOYSA-N;130.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197061;MM197061;C#CC(CF)C(F)C#N;PDKXUUYREUXXEG-UHFFFAOYSA-N;129.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197062;MM197062;C#CC(NC)C(N)C=C;WHQCIKIZTURYAT-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197063;MM197063;CN=C1CC(=O)C(=N)N1;KUOCGAINQIVLLN-UHFFFAOYSA-N;125.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197064;MM197064;C=NN=C1C=NN(C)C1;JFXPWQKLMQBBKC-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197065;MM197065;C#CC(OC)C(C)C=O;FWZLBMVLJYJVOF-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197066;MM197066;C#CC(OC)C(F)C=C;YARJKXZFTYONPD-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197067;MM197067;C#CC(OC)C(F)C#N;NWNXFMFUAVHXHB-UHFFFAOYSA-N;127.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197068;MM197068;C=CCc1cnc(N)o1;PBMHLIVXGRGAQD-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197069;MM197069;C#CC(CC)N(C)N=C;AHQAVJCQDXNDFA-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197070;MM197070;C#CC(N)C(C#C)CO;DBWGYVAUTOHCEO-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197071;MM197071;C#CC(O)C(C#C)CN;PDGIYGNVFZQNLJ-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197072;MM197072;C#CC(O)C(C#C)CO;YFYCIRDBKSHDGH-UHFFFAOYSA-N;124.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197073;MM197073;C#CC(F)C(C#C)CC;VOJAIIRFPHKXRL-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197074;MM197074;C#CC(F)C(C#C)CO;XBUYRXVCTLPODQ-UHFFFAOYSA-N;126.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197075;MM197075;C#CC(C)C(C#C)OC;SAIFDOXDIBCEFM-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197076;MM197076;C#CC(F)C(C#C)OC;GASKWMVWHHVGQM-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197077;MM197077;C=CC(C=C)C(C)CC;MFSINEIMPXVFAS-UHFFFAOYSA-N;124.23;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197078;MM197078;C=CC(C=C)C(C)CN;BYNFMPITQCRTFW-UHFFFAOYSA-N;125.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197079;MM197079;C=CC(C=O)C(C)CC;JEPLNQUKDARQOK-UHFFFAOYSA-N;126.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197080;MM197080;C=CC(C=O)C(C)CO;JASAMVIIKAJPFH-UHFFFAOYSA-N;128.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197081;MM197081;C=CC(C=O)C(C)CF;NMLWHKHEESUNAX-UHFFFAOYSA-N;130.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197082;MM197082;CC(CO)C(C=O)C=O;YZSXFDGCRCQQPU-UHFFFAOYSA-N;130.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197083;MM197083;CC(CO)C(C#N)C=O;YDGIBVUFVVPXRL-UHFFFAOYSA-N;127.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197084;MM197084;CC(CO)C(C#N)C#N;OCPZRPQVEDSRJM-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197085;MM197085;C=CC(C=C)C(N)CN;ZVRKDLBYELLNBE-UHFFFAOYSA-N;126.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197086;MM197086;C=CC(C=C)C(N)CF;NFEIPSFBLLQSNP-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197087;MM197087;C=CC(C=O)C(O)CO;CBLZRHZKFBIONC-UHFFFAOYSA-N;130.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197088;MM197088;O=CC(C=O)C(O)CO;OSGGYRUYFDDDDH-UHFFFAOYSA-N;132.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197089;MM197089;N#CC(C=O)C(O)CO;QPCSQFWMGWHOSZ-UHFFFAOYSA-N;129.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197090;MM197090;N#CC(C=O)C(O)CF;KGUWCKUMUGRQSF-UHFFFAOYSA-N;131.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197091;MM197091;C=CC(C=C)C(F)CN;XFVMVNQNVJADRB-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197092;MM197092;C=CC(C=O)C(F)CC;GTLPUZYNUFLTDV-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197093;MM197093;C=CC(C=O)C(C)OC;CZYHLTKZOIOUBC-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197094;MM197094;C=CN(C=N)C(C)CO;CQZFTZBDPGYPNK-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197095;MM197095;CC(CN)N(C=N)C=N;JEKQNCDKJKEZOQ-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197096;MM197096;CC(CO)N(C=N)C=N;FQUMMZYXMCMQTQ-UHFFFAOYSA-N;129.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197097;MM197097;CC(CO)N(C=O)C=O;FGDIMYDSGFSLLE-UHFFFAOYSA-N;131.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197098;MM197098;C=NN(C=N)C(C)CC;IVAZIUZRWOABGZ-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197099;MM197099;C=NN(C=N)C(C)CF;FVTREUCEVDIAHX-UHFFFAOYSA-N;131.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197100;MM197100;C=NN(C=O)C(C)CC;GETKFUBGVGUFGO-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197101;MM197101;C=NN(C=O)C(C)CF;NVXQTSZRPICPSP-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197102;MM197102;CCN(C)N(C=N)C=O;LBLZIZLMJMEDIB-UHFFFAOYSA-N;129.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197103;MM197103;C=CC(C=C)C(C)C=O;KOYPFYVMIBFSJV-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197104;MM197104;C=CC(C)C(C=C)C=O;XGSKJNIKYTYMMG-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197105;MM197105;C=CC(C=O)C(C)C=O;XDHSDLNCZXQIHL-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197106;MM197106;C=CC(C)C(C=O)C=O;FDVGVILDPYVVPY-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197107;MM197107;CC(C=O)C(C=O)C=O;AUFIZHGPCYVRSH-UHFFFAOYSA-N;128.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197108;MM197108;C=CC(C=O)C(O)C=O;QMIVBPYOMUFXOC-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197109;MM197109;O=CC(O)C(C=O)C=O;SUBIBWDCWFSPEI-UHFFFAOYSA-N;130.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197110;MM197110;C=CC(C=C)C(F)C=O;KXWNVFNAWDKDGB-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197111;MM197111;C=CC(F)C(C#N)C=C;GBXQNLKLCAPPDF-UHFFFAOYSA-N;125.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197112;MM197112;C=CC(C=O)C(F)C#N;MUAFQYKIAXDFHR-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197113;MM197113;C=CC(C#N)C(F)C#N;JVHPRKJEXHPXIM-UHFFFAOYSA-N;124.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197114;MM197114;C=CC(F)C(C#N)C=O;BMQFKZXDUGKEBJ-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197115;MM197115;C=CC(F)C(C#N)C#N;LDMQGCIZRBWEEU-UHFFFAOYSA-N;124.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197116;MM197116;C=CC(C#N)N(C)C=O;SOQXVHROTWZXDU-UHFFFAOYSA-N;124.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197117;MM197117;CN(C=N)C(C=O)C=O;BGPQPLGJKMIABA-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197118;MM197118;C=CCc1coc(N)n1;WOGXVVFGRUISOC-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197119;MM197119;N=CNc1coc(N)n1;CVAQDIHCOURSGB-UHFFFAOYSA-N;126.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197120;MM197120;C=CC(C#N)N(C)N=C;QZQGOKYWWDSNQA-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197121;MM197121;C#CC1NC(C#C)C1=O;OMGGVDVEXYGPDO-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197122;MM197122;C=CN(C=O)C(C)C=O;KDWRLFVRJOIJPF-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197123;MM197123;Nn1c(CO)noc1=O;WWVCEHZJZLDMKA-UHFFFAOYSA-N;131.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197124;MM197124;CC(C#N)N(C=N)C=O;YIQDTASRVDYLBO-UHFFFAOYSA-N;125.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197125;MM197125;C=CC(C)N(C=O)C=O;JFFMDIUEOZWVPG-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197126;MM197126;C=CN(C=O)N(C)C=O;WFNQJWGJDSDBED-UHFFFAOYSA-N;128.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197127;MM197127;CN(C=N)N(C=N)C=O;HPIBVAGZBWGVOU-UHFFFAOYSA-N;128.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197128;MM197128;CN(C=O)N(C=N)C=O;ZVEWQEQXCBMAOI-UHFFFAOYSA-N;129.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197129;MM197129;C#CC(C)C(C=C)C=O;OIWFCCRFVDADGC-UHFFFAOYSA-N;122.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197130;MM197130;C#CC(C)C(C#N)C=O;PXKVIVHTSVTWSM-UHFFFAOYSA-N;121.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197131;MM197131;C#CC(C)C(C#N)C#N;NKJPJZYMUNXUOE-UHFFFAOYSA-N;118.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197132;MM197132;C#CC(O)C(C=C)C=C;OOGSNCMVVONIAK-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197133;MM197133;C#CC(O)C(C=C)C=O;ATKGMNUMQPWKBC-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197134;MM197134;C#CC(O)C(C=O)C=O;HDGLXVMHEPEOAI-UHFFFAOYSA-N;126.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197135;MM197135;C#CC(F)C(C#N)C=C;GJXGCSKIKLGRRK-UHFFFAOYSA-N;123.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197136;MM197136;C#CC(C)N(C=C)C=O;JIFQCJDTZOSNFL-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197137;MM197137;C#CC(C)N(C=N)C=O;NSIKEDQDFHYORD-UHFFFAOYSA-N;124.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197138;MM197138;C#CC(C)N(C=O)C=O;GILYUFYBIHBLQI-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197139;MM197139;C#CC(C=C)C(C)CC;QYAJERKITCBTCB-UHFFFAOYSA-N;122.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197140;MM197140;C#CC(C#N)C(C)CC;WZXQMHKPGZCIAU-UHFFFAOYSA-N;121.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197141;MM197141;C#CC(C=O)C(C)CF;FOWIDMBOOPECIR-UHFFFAOYSA-N;128.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197142;MM197142;C#CC(C=C)C(N)CN;UCMAHTWBLHZWRZ-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197143;MM197143;C#CC(C=C)C(N)CO;KLQGHJWDFVVWLS-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197144;MM197144;C#CC(C=C)C(N)CF;GQUUVFZQCDGUBK-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197145;MM197145;C=C(NC=O)C1NC1C;HLOPXEBIPIALPG-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197146;MM197146;C#CC(C=C)C(O)CN;GBLZEQSDDIVEAD-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197147;MM197147;C#CC(C=C)C(O)CO;HPBDDQMCFHGPMT-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197148;MM197148;C#CC(C=C)C(O)CF;PAFBVHOWPGOQKE-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197149;MM197149;C#CC(C#N)C(O)CO;IIIXTOGUNMCDSF-UHFFFAOYSA-N;125.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197150;MM197150;C#CC(C=O)C(F)CO;GOMKIXXHVNEHQR-UHFFFAOYSA-N;130.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197151;MM197151;C#CC(C#N)C(F)CF;XLFQSQKQZUMZSZ-UHFFFAOYSA-N;129.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197152;MM197152;C#CC(C=C)C(C)OC;JQDBRTIYGJSQRM-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197153;MM197153;C#CC(C=C)C(C)C=C;LDYMDTZNRGZQHY-UHFFFAOYSA-N;120.2;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197154;MM197154;C#CC(C=C)C(C)C#N;UONZVYXUHPENEX-UHFFFAOYSA-N;119.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197155;MM197155;C#CC(C=C)C(N)C=C;RFAVBIXANKXMHM-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197156;MM197156;C#CC(C=O)C(O)C=C;PWUXAJWKRABATO-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197157;MM197157;C#CC(C=C)C(F)C#N;SHDLFOHOOCCBHT-UHFFFAOYSA-N;123.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197158;MM197158;C#CC(C=O)C(F)C=C;NYSVINHKRGVZPX-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197159;MM197159;C#CC(C#N)C(F)C=C;ARMIDKVLOJTAAX-UHFFFAOYSA-N;123.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197160;MM197160;C#CC(C#N)C(F)C#N;SLRAWGAVTXZCTI-UHFFFAOYSA-N;122.1;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197161;MM197161;C#CC(C=C)N(C)C=O;VUABVJGBJSROTL-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197162;MM197162;CC=NOC1C(C)C1O;MEFKVXUUUYWMHD-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197163;MM197163;CC(N)=C(C#N)C(C)(C)O;MIMQZSORURHTPW-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197164;MM197164;C#CC(C=C)N(C)N=C;JWDYJXCMDPOGTM-UHFFFAOYSA-N;122.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197165;MM197165;CCC(C)(O)C=NN(C)C;ITSCFLKWHKQAIM-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197166;MM197166;C#CC(C)C(C#C)C=C;ZQNZZMHVPKCNBL-UHFFFAOYSA-N;118.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197167;MM197167;C#CC(N)C(C#C)C=C;PIYYTRUZGUOTFW-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197168;MM197168;C#CC(O)C(C#C)C=C;VAGDSFBHGKYQGZ-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197169;MM197169;C#CC(F)C(C#C)C=O;JTSFQZQTQYGGOF-UHFFFAOYSA-N;124.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197170;MM197170;C#CC(F)C(C#C)C#N;YHOVEWYMINUACJ-UHFFFAOYSA-N;121.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197171;MM197171;C#CC(C#C)C(C)CC;IUYIFWNVCACSMN-UHFFFAOYSA-N;120.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197172;MM197172;C=NOC(=O)CC(O)CO;MOKWVBGPMKTKHT-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197173;MM197173;C#CC(C#C)C(N)CC;CSMXTMIKNOAUCU-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197174;MM197174;C#CC(C#C)C(O)CN;AHQWXIMGPOSPBY-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197175;MM197175;C#CC(C#C)C(O)CF;FLGBOOUDZLWPLX-UHFFFAOYSA-N;126.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197176;MM197176;C#CC(C#C)C(C)C=O;GROMZHHOKBVNLQ-UHFFFAOYSA-N;120.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197177;MM197177;C#CC(C#C)C(N)C=C;OATGWVIXFVNJRX-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197178;MM197178;C#CC(C#C)C(F)C=C;RPZVQZLALIQGPZ-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197179;MM197179;C#CC(C#C)C(F)C=O;RTTOFBYQBWHVNT-UHFFFAOYSA-N;124.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197180;MM197180;C#CC(C#C)C(F)C#N;VYYAWMWDLJDFIQ-UHFFFAOYSA-N;121.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197181;MM197181;C#CC(C)C(C#C)C#C;ZLCCLFSFJRWKLE-UHFFFAOYSA-N;116.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197182;MM197182;C#CC(F)C(C#C)C#C;ARKBWIAAOQKCGV-UHFFFAOYSA-N;120.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197183;MM197183;C=C(CF)C(CC)CC;RQJHTLXMUXWYRV-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197184;MM197184;C=C(CN)C(CC)CN;RTHQIPBPDYYICG-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197185;MM197185;C=C(CF)C(CC)CN;MTHZONWIWZKMAM-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197186;MM197186;C=C(CO)C(CC)CO;AGWJWUBMHOJXIZ-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197187;MM197187;C=C(CF)C(CN)CN;UEOCKRLSWARHKW-UHFFFAOYSA-N;132.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197188;MM197188;C=C(CN)C(CN)CF;WWURAGJKKOINNO-UHFFFAOYSA-N;132.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197189;MM197189;C=C(CN)C(CO)CO;RFRNTUHFTKKQMZ-UHFFFAOYSA-N;131.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197190;MM197190;C=C(CN)C(CF)CF;LZBNNMFJBOKFFC-UHFFFAOYSA-N;135.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197191;MM197191;CCC(=O)C(CC)CO;IBHXNPKKURBXMU-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197192;MM197192;CCC(CC)C(=N)NN;NNKKEJUCLXRTCS-UHFFFAOYSA-N;129.21;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197193;MM197193;CCC(CC)C(=N)NO;VGAOGDJXIDYMQD-UHFFFAOYSA-N;130.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197194;MM197194;CCC(CN)C(=N)NC;GOIYBPDRASOLSW-UHFFFAOYSA-N;129.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197195;MM197195;CCC(CN)C(=N)NO;BBDGGAOTWWMPQF-UHFFFAOYSA-N;131.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197196;MM197196;CNC(=N)C(CO)CF;FRZAMHAMKGTLMM-UHFFFAOYSA-N;134.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197197;MM197197;CNC(=N)C(CF)CF;XMFUXHJHUVHPAA-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197198;MM197198;CCC(CO)C(=O)NC;IAHMPHLLKNDNBP-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197199;MM197199;C=NOCC=CNC(N)=O;XWUVMYFJUHGBHD-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197200;MM197200;CCC(CO)C(=O)NO;SRVIFAUSBFHVPR-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197201;MM197201;CCC(CF)C(=O)NC;KPHIIHUZUTZLOG-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197202;MM197202;CC(C#N)(CO)NCCF;HPZUIDIYXQKSFQ-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197203;MM197203;CCC(CF)C(=O)NO;BQICRRROMJAMKI-UHFFFAOYSA-N;135.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197204;MM197204;CNC(=O)C(CN)CN;CYVYHIWPGLVNSO-UHFFFAOYSA-N;131.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197205;MM197205;CNC(=O)C(CN)CO;OQGHTZLUTLBQAK-UHFFFAOYSA-N;132.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197206;MM197206;CNC(=O)C(CF)CF;BHUBXJOAORGLLV-UHFFFAOYSA-N;137.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197207;MM197207;C=C(OC)C(CN)CN;YEOJSFVQXQLPND-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197208;MM197208;C=C(OC)C(CF)CF;FDLJBHHNMCAEBL-UHFFFAOYSA-N;136.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197209;MM197209;CCC(CF)C(=O)OC;IRBGKDSYHPHUIK-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197210;MM197210;COC(=O)C(CN)CN;FECXFRRSZGZESE-UHFFFAOYSA-N;132.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197211;MM197211;COC(=O)C(CN)CF;GFDRNHFYLNYPCS-UHFFFAOYSA-N;135.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197212;MM197212;C=C(CO)C(CC)NC;RFZJRBYVQQXDJW-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197213;MM197213;C=C(CF)C(CO)NC;JKIHXBSKPIUASH-UHFFFAOYSA-N;133.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197214;MM197214;CNC(=N)C(CN)NC;MGRFYBCPLBQHIM-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197215;MM197215;CNC(=N)C(CO)NC;GVZPAALLBQKJAK-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197216;MM197216;CCC(NC)C(=O)NC;RHSSDNYIVUVMST-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197217;MM197217;C=C(OC)C(CO)NC;RJCZZJJBACXUHU-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197218;MM197218;CC(C#N)(CO)NCC#N;YGSQHMPIBQCTRV-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197219;MM197219;C=C(CO)C(CC)OC;AVCGVTGDGKTHFG-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197220;MM197220;C=C(CN)C(CO)OC;CRGWPRFAHNPABP-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197221;MM197221;CCC(OC)C(=O)CO;MVCVMKZGPGNQQD-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197222;MM197222;CCC(=O)C(CO)OC;GGKMXQNVPYUELF-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197223;MM197223;COC(CO)C(=O)CO;XDXPZIFBWNGOKO-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197224;MM197224;CCC(OC)C(=N)NC;NZGUNPAUNBWTTN-UHFFFAOYSA-N;130.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197225;MM197225;CCC(OC)C(=N)NO;OYFJUZCIYLYBOW-UHFFFAOYSA-N;132.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197226;MM197226;CNC(=N)C(CN)OC;AVPCCYZGVRQGKP-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197227;MM197227;COC(CO)C(=N)NN;UWEJNBOIGABPAI-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197228;MM197228;COC(CF)C(=N)NN;JUTMUAZNLHNCBD-UHFFFAOYSA-N;135.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197229;MM197229;CNC(=O)C(CF)OC;HQLRYNYEPCPLNX-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197230;MM197230;C=C(OC)C(CF)OC;UUAJFACSAQZTLZ-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197231;MM197231;CCC(OC)C(=O)OC;UJBNVYLBVGMXPI-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197232;MM197232;C=C(CC)C(OC)OC;WBZIMWTYFPHTPT-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197233;MM197233;COC(OC)C(=O)CO;LDHWRBACPBVHNU-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197234;MM197234;CCN(CC)C(=O)CF;KCACDSBMGBWIET-UHFFFAOYSA-N;133.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197235;MM197235;COC(=NCC(F)F)NO;UXPTZGYCYJPJCY-UHFFFAOYSA-N;154.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197236;MM197236;CCC(=O)N(CC)NC;SXZGIKJMVCUXAK-UHFFFAOYSA-N;130.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197237;MM197237;CCN(OC)C(=O)CO;JEXZHEYJHZVKKZ-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197238;MM197238;CCN(OC)C(=O)CF;QGDGUCBRKGGBNR-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197239;MM197239;CCN(OC)C(=O)NO;NIPVPAUEYSYQGF-UHFFFAOYSA-N;134.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197240;MM197240;C=C(C#N)C(CC)CO;PYGCRLMAYJZTPV-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197241;MM197241;C=CC(=C)C(CN)CF;SSHZLLNBDWHJOZ-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197242;MM197242;C=CC(=C)C(CO)CO;UNFVGXNDJDMUCR-UHFFFAOYSA-N;128.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197243;MM197243;C=C(C=O)C(CO)CO;ZGBGTXXVSUZDJU-UHFFFAOYSA-N;130.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197244;MM197244;C=C(C#N)C(CO)CO;OYOSJIKZKHXSQB-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197245;MM197245;C=CC(=C)C(CF)CF;RJBVRMXUCVHYNZ-UHFFFAOYSA-N;132.15;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197246;MM197246;CCC(CC)C(=O)C#N;ABKBEUGPMZDZKE-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197247;MM197247;C=CC(=O)C(CO)CO;FKLCFWGOGNURAL-UHFFFAOYSA-N;130.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197248;MM197248;C=CC(=C)C(CC)NC;IYCGFSAZYLZIJS-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197249;MM197249;C=C(C=O)C(CC)NC;QNZLNZWBDYTDKG-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197250;MM197250;C=CC(=C)C(CN)NC;MJJGRBKNUHHFMV-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197251;MM197251;O=CC1(CC(O)CF)CN1;KYPPKISYGXYUAS-UHFFFAOYSA-N;147.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197252;MM197252;COC(CO)C(=O)C#N;UNVWTVNGVXSJRY-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197253;MM197253;C=CC(=C)C(OC)OC;UHXOYSDQPUNEAV-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197254;MM197254;C=C(C#N)C(OC)OC;YSWKAZIIPUOFIX-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197255;MM197255;C=CC(=O)C(OC)OC;WFFFLBNVRHCOGY-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197256;MM197256;CCN(CC)C(=N)C=O;FBFBPEOUBNRXKB-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197257;MM197257;C=CC(=O)N(CC)NC;MIYOXWIRBCMIIP-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197258;MM197258;CCN(OC)C(=O)C=O;FXEOMMAGULWMPZ-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197259;MM197259;C#CC(=C)C(CC)CC;FOCCDHIOCQEORY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197260;MM197260;C#CC(=C)C(CN)CN;CTGFXIIEENKRQX-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197261;MM197261;C#CC(=C)C(CN)CO;AEKDNNVHMBSCGP-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197262;MM197262;C#CC(=C)C(CN)CF;YSJBTWJGXXREFU-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197263;MM197263;C#CC(=C)C(CO)CO;MTJJKNPYCAFFBM-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197264;MM197264;C#CC(=C)C(CO)CF;RBCPTTRPLBSXQJ-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197265;MM197265;C#CC(=C)C(CF)CF;ZAGXVNDGOWDLFQ-UHFFFAOYSA-N;130.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197266;MM197266;C#CC(=O)C(CC)CC;DZADOHRMXRKTHY-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197267;MM197267;C#CC(=O)C(CC)CF;OGONZAZIRZQJEH-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197268;MM197268;C#CC(=O)C(CO)CO;GISCOLZBWCMFQY-UHFFFAOYSA-N;128.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197269;MM197269;C#CC(=C)C(CC)NC;XOCPONQLSYIHAT-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197270;MM197270;C#CC(=C)C(CN)NC;JDYCPHHFQFOFOL-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197271;MM197271;C#CC(=O)C(CO)OC;KQCTWYQFZDGAIO-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197272;MM197272;C#CC(=C)C(OC)OC;XRELOXFFITVDSR-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197273;MM197273;C#CC(=N)N(CC)NC;MYRKFVLFQOWYAK-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197274;MM197274;CCC(C)(O)C=NN1CC1;QBLQHYRFAIMMKH-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197275;MM197275;C=CC(CN)C(=C)CC;RLWVVNVVYGUPFW-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197276;MM197276;C=CC(CN)C(=C)CF;HLQOWONOADYKCV-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197277;MM197277;C=CC(CF)C(=C)CN;GOLIHXARPKFMJX-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197278;MM197278;C=C(CC)C(C=O)CF;GBQKZIOZCZBAOL-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197279;MM197279;C=C(CO)C(C#N)CF;LJSXJHFLXVCZSB-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197280;MM197280;C=C(CF)C(C=O)CF;VUFIBMWJABRJAR-UHFFFAOYSA-N;134.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197281;MM197281;C=C(CF)C(C#N)CF;BOSPDEAZDLOTMA-UHFFFAOYSA-N;131.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197282;MM197282;C=CC(CC)C(=O)CC;XGALHYVZNVDOSQ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197283;MM197283;C=CC(CC)C(=O)CF;AXKJIEUFHWTKJZ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197284;MM197284;N#CC(CO)C(=O)CO;OTTJNAAIOYELNQ-UHFFFAOYSA-N;129.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197285;MM197285;O=CC(CO)C(=O)CF;QBDSBRBFKXQISV-UHFFFAOYSA-N;134.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197286;MM197286;O=CC(CF)C(=O)CO;SZPAKXGCBLBWDJ-UHFFFAOYSA-N;134.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197287;MM197287;C=CC(CC)C(=N)NC;XSMIJOLGPWVGTC-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197288;MM197288;C=CC(CC)C(=N)NN;SPCICGHCGJLORS-UHFFFAOYSA-N;127.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197289;MM197289;C=CC(CC)C(=N)NO;AGRRGGGHNKBUFF-UHFFFAOYSA-N;128.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197290;MM197290;C=CC(CN)C(=N)NO;LCQDWFOTKMMEJV-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197291;MM197291;C=CC(CO)C(=N)NO;KRYKGLZYVKCTBR-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197292;MM197292;NC(=NO)C(C=O)CO;SQRMZTBWOUAIQS-UHFFFAOYSA-N;132.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197293;MM197293;CNC(=N)C(C#N)CF;UIIJNMFPDRGELV-UHFFFAOYSA-N;129.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197294;MM197294;CC(C#N)(CO)NC1CC1;MWWCTQUCHAMWLA-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197295;MM197295;CCC(C=O)C(=O)NC;UPGCFEPSKMAVPL-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197296;MM197296;CCC(C=O)C(=O)NO;TTWFDNHKKGEHNE-UHFFFAOYSA-N;131.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197297;MM197297;CCC(C#N)C(=O)NO;NKAIAMFAZCBMQS-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197298;MM197298;C=CC(CN)C(=O)NC;ZBYZPNZSJIMCHC-UHFFFAOYSA-N;128.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197299;MM197299;CN=C(C)N(O)C(C)C#N;BNOPPACNMYRQDA-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197300;MM197300;CNC(=O)C(C=O)CO;NLGRIYWECKKPFE-UHFFFAOYSA-N;131.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197301;MM197301;O=CC(CO)C(=O)NO;FBVZWCPSLRSLQB-UHFFFAOYSA-N;133.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197302;MM197302;C=C(C#CCO)N(N)C=O;GHBWPVJQAYNVGF-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197303;MM197303;C=C(OC)C(C=O)CC;BBNUAOJNLHTCJI-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197304;MM197304;C=CC(CN)C(=C)OC;JWASXZAXCLFDJN-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197305;MM197305;C=C(OC)C(C=O)CO;QURZHNRSUNNJMT-UHFFFAOYSA-N;130.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197306;MM197306;C=C(OC)C(C=O)CF;WQUOPRGWMITWDT-UHFFFAOYSA-N;132.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197307;MM197307;C=C(OC)C(C#N)CF;WIAPDJMUINLKQA-UHFFFAOYSA-N;129.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197308;MM197308;C=CC(CC)C(=O)OC;USKMGVRXFINZRV-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197309;MM197309;CCC(C=O)C(=O)OC;PCMAGGCVCMXDTQ-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197310;MM197310;COC(=O)C(C=O)CO;LOVBWAFNOAAIAI-UHFFFAOYSA-N;132.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197311;MM197311;C=CC(CF)C(=O)OC;VWFVJFGIHQQVIF-UHFFFAOYSA-N;132.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197312;MM197312;COC(=O)C(C=O)CF;VPGVDLUHRFHYLE-UHFFFAOYSA-N;134.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197313;MM197313;C=CC(NC)C(=C)CC;ZOFYDVFGQOMVKM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197314;MM197314;CC(C#N)=C(N)C#CCO;QJUFCXZPYSKANW-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197315;MM197315;CC=NOCCC(O)CF;UVOWNOBTXOYBGJ-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197316;MM197316;CNC(=N)C(C=O)NC;HJZZPFOPEVZENG-UHFFFAOYSA-N;129.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197317;MM197317;CC(OC=NN)C1(O)CC1;OEQNWJUTYRPUIQ-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197318;MM197318;CNC(C#N)C(=O)NO;WADMAKFEHXGPDQ-UHFFFAOYSA-N;129.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197319;MM197319;Cc1c(F)c(=N)n(C)n1O;DDIYAIURWMNDDE-UHFFFAOYSA-N;145.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197320;MM197320;COC(C=O)C(=O)CO;UHOAYYIMHUFETN-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197321;MM197321;C=CC(OC)C(=O)NC;ARJZHLATCKSDBI-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197322;MM197322;Cn1c(=N)c(=O)ncn1O;XDEKLBLQQLTDMQ-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197323;MM197323;CNC(=O)C(C=O)OC;URFDHXHPESYDEI-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197324;MM197324;COC(C=O)C(=O)NO;PKBYWLXOPNPNHQ-UHFFFAOYSA-N;133.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197325;MM197325;C=CC(OC)C(=C)OC;OKYDNCMQWWYCLJ-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197326;MM197326;C=C(CF)N(C=N)CC;QEUYFHGIERJFCP-UHFFFAOYSA-N;130.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197327;MM197327;C=C(CF)N(C=O)CC;WYLVBEIZDVFJDY-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197328;MM197328;CCC(=N)N(C=N)CC;ORCCBDHAJSVZTB-UHFFFAOYSA-N;127.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197329;MM197329;CCN(C=N)C(=N)CN;FHECWEOLZIEEJZ-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197330;MM197330;CCN(C=O)C(=N)CF;HTMNIMPRZJUYKM-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197331;MM197331;C=CN(CC)C(=O)CO;UZJKTKPYQRVSIF-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197332;MM197332;C=CN(CC)C(=O)CF;BCJPSBHCQWNIDT-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197333;MM197333;OCCNN=C(CO)NO;MIYPTENNBJSLES-UHFFFAOYSA-N;149.15;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197334;MM197334;CCN(C=O)C(=O)CF;AUEYJSZUINSFFH-UHFFFAOYSA-N;133.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197335;MM197335;CCN(C=O)C(=N)OC;IDIMKOKDWYRYKQ-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197336;MM197336;C=NN(CC)C(=O)CC;NDCILDIPROSSEY-UHFFFAOYSA-N;128.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197337;MM197337;C=NN(C=N)C=CNC=O;SQDKCLBLVAWRAM-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197338;MM197338;CCC(=N)N(C=O)NC;SLCSUXPVCSGPFT-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197339;MM197339;C=NN(C=O)C(=N)NOC;VMOLTYZJWXRCOR-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197340;MM197340;CNN(C=O)C(=N)CF;UXVMEWMFUUUEJG-UHFFFAOYSA-N;133.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197341;MM197341;CCNc1n[nH]c(CC)n1;AEVKRQDKVIKIHU-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197342;MM197342;CCNc1ccc(C#N)[nH]1;QDSUXCJWVOFGPA-UHFFFAOYSA-N;135.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197343;MM197343;CC=Cc1coc(NC)n1;RYNOOTVFEMRFHK-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197344;MM197344;CC#Cc1cc(NN)n[nH]1;WRBFZNVTLQOTSB-UHFFFAOYSA-N;136.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197345;MM197345;C=CC1(O)CC1N1CC1C;USGDKRLNAOKRKA-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197346;MM197346;C=CN(NC)C(=N)NN;XCPIPOPFHQJSOI-UHFFFAOYSA-N;129.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197347;MM197347;C=CN(NC)C(=N)NO;ZLCKCNGBDYEWCG-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197348;MM197348;CNN(C=N)C(=N)NN;WVMQLQMHWFPEST-UHFFFAOYSA-N;130.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197349;MM197349;CNN(C=N)C(=N)NO;LFDFDISSMBWZRL-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197350;MM197350;CNC(=N)N(C=O)NC;CAAYJHZISGHFIN-UHFFFAOYSA-N;130.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197351;MM197351;CNN(C=O)C(=N)NN;UAAPYNZLXVYPKU-UHFFFAOYSA-N;131.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197352;MM197352;C=CN(NC)C(=O)NO;WNHXXOMSSOWITO-UHFFFAOYSA-N;131.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197353;MM197353;C#Cc1c[nH]c(N=N)c1F;UAUCCHJMWBJLSS-UHFFFAOYSA-N;137.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197354;MM197354;CNN(C=N)C(=O)NO;AMVHIIMYTJMMFP-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197355;MM197355;Nc1ncc(F)o1;FJPZGPPEAHCGAU-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197356;MM197356;CN(N)C=NC(N)=O;WDQRDHXNBDZRAD-UHFFFAOYSA-N;116.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197357;MM197357;CNN(C=O)C(=O)NO;LULGWBIJBFLELA-UHFFFAOYSA-N;133.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197358;MM197358;C=C(OC)N(C=O)NC;BOCONIYHGZBDHM-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197359;MM197359;CNN(C=O)C(=N)OC;JQFSLECEFLXKHU-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197360;MM197360;CNN(C=N)C(=O)OC;MLHPGOGKMQURFO-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197361;MM197361;C=C(CO)N(C=O)OC;PPMHXUVWMQWPJM-UHFFFAOYSA-N;131.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197362;MM197362;CCC(=N)N(C=O)OC;SBYASBBTEDLZHT-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197363;MM197363;CON(C=O)C(=N)CO;QGGJPXMCSPXANX-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197364;MM197364;C=CN(OC)C(=O)CF;USNLYLRIHUJZRB-UHFFFAOYSA-N;133.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197365;MM197365;CCC(=O)N(C=N)OC;KYDPNCDMVXLMFJ-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197366;MM197366;CON(C=O)C(=O)CO;WOICBAVXHAGBFF-UHFFFAOYSA-N;133.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197367;MM197367;CON(C=O)C(=O)CF;FILMVPMJEONTBU-UHFFFAOYSA-N;135.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197368;MM197368;CNC(=N)N(C=N)OC;ADFIDXUEUAJDNU-UHFFFAOYSA-N;130.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197369;MM197369;CNC(C#N)C(C)(C)O;FFTUTWFXDGLJJE-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197370;MM197370;CON(C=N)C(=O)NN;LDQHBGGAAPCSEE-UHFFFAOYSA-N;132.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197371;MM197371;CNC(=O)N(C=O)OC;FNMJGXYIQRNNAJ-UHFFFAOYSA-N;132.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197372;MM197372;COC(=N)N(C=O)OC;CHEQMJCUSNLZQT-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197373;MM197373;COC(=O)N(C=N)OC;BPEKIOPBSRFHLG-UHFFFAOYSA-N;132.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197374;MM197374;C=CC(CC)C(=C)C=O;USZGRMKOKVCIMW-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197375;MM197375;C=CC(=C)C(C=O)CC;JUHPIPAMUBODKY-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197376;MM197376;C=CC(=C)C(C=C)CN;BQIZCCYDVKQGIE-UHFFFAOYSA-N;123.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197377;MM197377;C=C(C=O)C(C=O)CO;DXDPQSILSLTWJX-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197378;MM197378;C=CC(CF)C(=C)C=O;JJCOKDNBSAWGAG-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197379;MM197379;C=CC(=C)C(C=O)CF;PNTMZJHELHRYNN-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197380;MM197380;C=C(C#N)C(C=O)CF;YMGBNIDLJQAUBP-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197381;MM197381;NN=c1onnc(O)c1O;LUKJQAPBJLYHCS-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197382;MM197382;C=CC(=C)C(C=C)NC;INKIMGLEZSBEBT-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197383;MM197383;C=NN1CC(O)(CC)C1;YAJSNPZAYOTMHS-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197384;MM197384;CC(O)C(=N)N(C)C=O;UHWRVODAPIKMOJ-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197385;MM197385;C=C(C#N)C(C=O)OC;IPHAYUDAFUECJN-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197386;MM197386;CCN(C=O)C(=N)C=O;TXENTXZSQXNMAP-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197387;MM197387;C=CC(=O)N(C=N)CC;VPJHBFQISIWECO-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197388;MM197388;C=CC(=O)N(CC)N=C;YEXNAJRVPVQGEV-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197389;MM197389;C=C(C=O)N(C=O)NC;LGIQYLCQBFBUMV-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197390;MM197390;C=C(C#N)N(C=O)NC;GFJMNTWWNBBKQQ-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197391;MM197391;C=CN(NC)C(=N)C=O;OJKGCBMRSPGRGW-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197392;MM197392;C=CC(=N)N(C=N)NC;GNAQIHURIBJRLI-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197393;MM197393;CNN(C=N)C(=N)C#N;NEOKGMHSRJHDRG-UHFFFAOYSA-N;125.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197394;MM197394;C=CC(=N)N(C=O)NC;NTXWGDPIKBABPB-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197395;MM197395;CNN(C=O)C(=N)C#N;UJZOOKLXKFQWSX-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197396;MM197396;C=CN(NC)C(=O)C=O;GRPPRQGXZBQKQN-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197397;MM197397;C=CC(=O)N(C=N)NC;MMFAXCAOJMLUPV-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197398;MM197398;CNN(C=N)C(=O)C#N;NCUWCTAZUMUKEG-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197399;MM197399;C=CC(=O)N(C=O)NC;PAAMWUNCRWBIHQ-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197400;MM197400;CNN(C=O)C(=O)C=O;HJLWNTPXLYKKRR-UHFFFAOYSA-N;130.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197401;MM197401;C=C(C=O)N(C=O)OC;HFDOZZWTPYWAOE-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197402;MM197402;C=C(C#N)N(C=O)OC;NKWRYYZGOYJBFO-UHFFFAOYSA-N;126.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197403;MM197403;CON(C=O)C(=N)C=O;CLYUYLXPVIWEMV-UHFFFAOYSA-N;130.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197404;MM197404;CON(C=O)C(=N)C#N;TWVMNPCVXSFADF-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197405;MM197405;CON(C=N)C(=O)C#N;OJISVULITAFBJP-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197406;MM197406;C=CC(=O)N(C=O)OC;YHCXPXUAQWDSCO-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197407;MM197407;CON(C=O)C(=O)C=O;DCODNOJERBFBKT-UHFFFAOYSA-N;131.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197408;MM197408;CON(C=O)C(=O)C#N;WLPNBRUMRGDNBL-UHFFFAOYSA-N;128.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197409;MM197409;C#CC(=C)C(C=C)CN;OHZAHDZHXHJYQF-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197410;MM197410;Nc1c(F)cn(O)c1N;XMWVGZSXLMNJDJ-UHFFFAOYSA-N;131.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197411;MM197411;C#CC(=C)C(C#N)CO;MQBROSXTMGJNFB-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197412;MM197412;C#CC(=C)C(C=C)CF;IMHVJDCNDXVYBZ-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197413;MM197413;C#CC(=C)C(C=O)CF;USKMLSIGZRWRRV-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197414;MM197414;C#CC(=O)C(C=O)CC;NDPFEJDRVLBLJR-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197415;MM197415;C#CC(=O)C(C#N)CC;WINMKUISJBLCAT-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197416;MM197416;C#CC(=O)C(C=C)CF;CEXKULTWAZCYTP-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197417;MM197417;Cc1cc(CO)nn1C;XJBMHIHXRARJJS-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197418;MM197418;C#CC(=C)C(C=O)OC;CUMLJMGTQMCCNZ-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197419;MM197419;C#CC(=C)N(C=N)NC;SALHDHOANVCPBR-UHFFFAOYSA-N;123.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197420;MM197420;C#CC(=C)N(C=O)NC;RHVQLZBRPBNPCL-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197421;MM197421;C#CC(=N)N(C=O)NC;VANQJJLQKPLZOS-UHFFFAOYSA-N;125.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197422;MM197422;C#CC(=O)N(C=N)NC;MTLYMBDNVQWUTD-UHFFFAOYSA-N;125.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197423;MM197423;C#CC(CC)C(=C)CO;QVXUNHGKUCPGAQ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197424;MM197424;C#CC(CN)C(=C)CC;PSJINMTXOQOXSD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197425;MM197425;C#CC(CN)C(=C)CO;OSXCKPIOBYSFQJ-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197426;MM197426;C#CC(CO)C(=C)CF;ZGAUSOMTLYPOBA-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197427;MM197427;C#CC(CF)C(=O)CC;AQBQYWIJFLCUCY-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197428;MM197428;C#CC(CC)C(=N)NC;PONWODVAPJBUBG-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197429;MM197429;C#CC(CC)C(=N)NN;QABQZROZSCBIHL-UHFFFAOYSA-N;125.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197430;MM197430;C#CC(CN)C(=N)NC;XTNDWMWQMOAMSF-UHFFFAOYSA-N;125.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197431;MM197431;C#CC(CO)C(=N)NC;LDHMXTSHUZNTBG-UHFFFAOYSA-N;126.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197432;MM197432;C#CC(CO)C(=N)NN;YEKNVUGHNCOQRZ-UHFFFAOYSA-N;127.15;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197433;MM197433;C#CC(CN)C(=O)NC;LCXHIGDNLAMJAH-UHFFFAOYSA-N;126.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197434;MM197434;C#CC(CO)C(=O)NC;MPSNYFITOIWRHA-UHFFFAOYSA-N;127.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197435;MM197435;Nn1oc(=O)nc1CO;KKMJSKQUIMUXKC-UHFFFAOYSA-N;131.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197436;MM197436;C#CC(CO)C(=O)NO;RESNNJZHHHGTSI-UHFFFAOYSA-N;129.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197437;MM197437;C#CC(NC)C(=C)CN;APTSAKIPONXMFN-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197438;MM197438;C#CC(OC)C(=C)CF;NDCBTIMOWMPKQA-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197439;MM197439;C#CC(OC)C(=O)CC;UJAJWYCESYUPJN-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197440;MM197440;C#CC(OC)C(=O)NO;IPYPQDVFPOIXGL-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197441;MM197441;C#CC(OC)C(=C)OC;UKDLWFZFDVUIQM-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197442;MM197442;C#CC(CC)C(=C)C#N;AEEQPMIZZPELAR-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197443;MM197443;C#CC(CN)C(=C)C=C;LUJUYOVNKWCUHM-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197444;MM197444;N=Cn1ccc(NO)n1;IPGQCICWGTZOFE-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197445;MM197445;C#CC(CF)C(=C)C=C;VSEPYEBYHBYVBA-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197446;MM197446;C#CC(CF)C(=C)C=O;BNUJRIQGYXAPTR-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197447;MM197447;C#CC(CF)C(=C)C#N;ASFGHTMHEPCVPT-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197448;MM197448;C#CC(CC)C(=O)C=O;RVWNUECERHYLQP-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197449;MM197449;C#CC(CC)C(=O)C#N;FPDLFNBNBLKBGI-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197450;MM197450;C#CC(CF)C(=O)C=C;NVUDVKSCNMLYLW-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197451;MM197451;C=Cc1coc(NC)n1;NAWFZOWRQJCAAL-UHFFFAOYSA-N;124.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197452;MM197452;C#CC(OC)C(=C)C=O;FLFLHWKZIKHPBB-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197453;MM197453;C#CC(OC)C(=O)C=C;NYLLPHZYNVZEQP-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197454;MM197454;C#CC(OC)C(=O)C#N;FLHUVERFJWCQKQ-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197455;MM197455;CC(C)(O)C(C=CF)=NN;WLTUOBUCYJCPGU-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197456;MM197456;C#CC(=O)C(C#C)CC;ZNELMHPNGWVZOX-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197457;MM197457;C#CC(=C)C(C#C)OC;USQVGDTURAFIKG-UHFFFAOYSA-N;120.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197458;MM197458;C=CC(C=O)C(=C)CC;YADHHGSKVMVLGG-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197459;MM197459;C=CC(C#N)C(=C)CF;OYHREQRGSHMAGC-UHFFFAOYSA-N;125.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197460;MM197460;C=CC(C=O)C(=O)CC;KSPGEGHGYATFCM-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197461;MM197461;C#CCc1cc(O)no1;NMFCXILQTNYFEU-UHFFFAOYSA-N;123.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197462;MM197462;C#CC#Cc1cc(O)no1;RXQZJHAEYSIPJM-UHFFFAOYSA-N;133.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197463;MM197463;N#CC(C#N)C=NN1CC1;SRIAIAKPVOSKSV-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197464;MM197464;CC=NOC(=NO)C(C)F;UTVZMLIQHAAVKI-UHFFFAOYSA-N;148.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197465;MM197465;C=CC(C=C)C(=N)NO;CYYHMFUJRITUKD-UHFFFAOYSA-N;126.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197466;MM197466;NC(=NO)C(C=O)C=O;FFNNERHHRMFUPR-UHFFFAOYSA-N;130.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197467;MM197467;C=CC(C=C)C(=O)NO;ZTWFIEXRURIHPX-UHFFFAOYSA-N;127.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197468;MM197468;C=CC(C=O)C(=O)NC;BXZPHWFPZHTQCB-UHFFFAOYSA-N;127.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197469;MM197469;Nc1ncc(O)n(O)c1=O;HSLBDQHWIFKBRC-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197470;MM197470;C=CC(C=C)C(=C)OC;HWGSYIPUUPDMOT-UHFFFAOYSA-N;124.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197471;MM197471;C=CC(C=O)C(=C)OC;YEHHZDZMMDFQLA-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197472;MM197472;C=CC(C=C)C(=O)OC;GASMUKPDLQYNIO-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197473;MM197473;C=CC(C#N)C(=O)OC;ICVAVKAWTJUDIM-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197474;MM197474;NN=c1[nH]n(O)c(=NO)o1;WTYYCJXSQRHOGW-UHFFFAOYSA-N;147.09;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197475;MM197475;C=CN(C=N)C(=C)CO;IFIXSFLBCIQRHW-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197476;MM197476;C=CN(C=O)C(=C)CO;IWCFQRACWZAJCD-UHFFFAOYSA-N;127.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197477;MM197477;C=C(CN)N(C=N)C=N;ABBBFZFBNPUBTF-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197478;MM197478;C=C(CO)N(C=N)C=N;CEODNGLGGOGOGD-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197479;MM197479;C=C(CF)N(C=N)C=N;GMIOWZIIOOWZNQ-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197480;MM197480;C=C(CN)N(C=N)C=O;CZYOSWVDFHBHLF-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197481;MM197481;C=C(CF)N(C=N)C=O;VPAYRPTZYRAFEF-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197482;MM197482;C=C(CN)N(C=O)C=O;RBFDCUITZFQJKJ-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197483;MM197483;C=C(CF)N(C=O)C=O;JKOPYLNBJDEPHM-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197484;MM197484;C=CN(C=N)C(=N)CN;JJCGKZVHQPSPKC-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197485;MM197485;C=CN(C=O)C(=N)CF;OOPPQALFMQPHSB-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197486;MM197486;CCC(=N)N(C=N)C=O;KQYMTJIJBNLWKU-UHFFFAOYSA-N;127.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197487;MM197487;CN1CC1(C)CC(O)CF;KPGXDIZEGHZONE-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197488;MM197488;N=C(CF)N(C=O)C=O;GBIVJALFENGEMH-UHFFFAOYSA-N;132.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197489;MM197489;CC(=CC(C)=NN)NC=O;HRJIZZSFFXUAAH-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197490;MM197490;C=CN(C=O)C(=O)CC;YSWOVPMLODBLOZ-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197491;MM197491;C=CN(C=O)C(=O)CF;HEYBGSQEQRQDLU-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197492;MM197492;CCC(=O)N(C=N)C=N;ZRUDQQNOTJZVSU-UHFFFAOYSA-N;127.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197493;MM197493;N=CN(C=N)C(=O)CO;UMLPJOZNUJVBSV-UHFFFAOYSA-N;129.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197494;MM197494;CCC(=O)N(C=N)C=O;QJTSKTZKLFWWEM-UHFFFAOYSA-N;128.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197495;MM197495;C=CN(C=O)C(=N)NC;BRZCXHRDYSVYHW-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197496;MM197496;CC=NN1CC(O)(CC)C1;QKWSZMKXHBRQDK-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197497;MM197497;N#CCNCC#CC(N)=O;RGANBDCUMDHYNR-UHFFFAOYSA-N;137.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197498;MM197498;CCNN=CC(O)CC=O;YYRNMNYRARHVFZ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197499;MM197499;CNC(=O)N(C=N)C=O;TXLILOYCDAITEZ-UHFFFAOYSA-N;129.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197500;MM197500;N=CN(C=O)C(=O)NN;DROPMXHOLFPNFU-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197501;MM197501;N=CN(C=O)C(=O)NO;LLQXCHITGXQUIF-UHFFFAOYSA-N;131.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197502;MM197502;CNC(=O)N(C=O)C=O;NODOBKNWYCZYTC-UHFFFAOYSA-N;130.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197503;MM197503;C=CN(C=O)C(=C)OC;IMLRIGFFZMCXJZ-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197504;MM197504;C=CN(C=O)C(=N)OC;AXCOFOGEPPBUQR-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197505;MM197505;COC(=N)N(C=N)C=O;FSVFTCCREHOCSW-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197506;MM197506;C=CN(C=N)C(=O)OC;RJANNEQDFPYWMA-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197507;MM197507;COC(=O)N(C=N)C=N;XRFNDDIAXYTFNE-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197508;MM197508;COC(=O)N(C=N)C=O;GYHSLWKHUVWCBA-UHFFFAOYSA-N;130.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197509;MM197509;C=NN(C=N)C(=C)CF;QQKNTJAWYWTBNN-UHFFFAOYSA-N;129.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197510;MM197510;C=NN(C=O)C(=C)CC;MMPIGBZTNMDOHK-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197511;MM197511;C=NN(C=N)C(=N)CN;TWQXXUAYDZTNDP-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197512;MM197512;C=C(C#CC)N(O)C=NN;NKKBLQNMRMMBGD-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197513;MM197513;C=NN(C=N)C(=N)CF;COYIJDTWBXMMQE-UHFFFAOYSA-N;130.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197514;MM197514;C=NOCC(O)C(C)CC;VPYAEWAKAAGFPA-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197515;MM197515;C=NN(C=O)C(=N)CF;OZQGURGSUWONDK-UHFFFAOYSA-N;131.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197516;MM197516;C=CC1(O)CC1NCC#N;LKGPIMVYEHWTTK-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197517;MM197517;C=NN(C=N)C(=O)CF;VDBOOKWCTAUKPO-UHFFFAOYSA-N;131.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197518;MM197518;CCN=C(NO)C(F)CO;VKVRKWAZTSDKMJ-UHFFFAOYSA-N;150.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197519;MM197519;C=NN(C=O)C(=O)CF;WCOMMOMWAKWRTL-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197520;MM197520;C=NN(C=N)C(=N)NN;WBZSZYWZTPECBF-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197521;MM197521;Cn1c(=N)c(=N)ncn1O;KEMIFRCFRZWOTA-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197522;MM197522;C=NN(C=N)C(=O)NO;WGAZNTOYQPNMSK-UHFFFAOYSA-N;130.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197523;MM197523;C=NN(C=O)C(=O)NN;ZCHFPJFDXAHMRI-UHFFFAOYSA-N;130.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197524;MM197524;C=NN(C=N)C(=C)OC;YLXCHMFJHKNQTG-UHFFFAOYSA-N;127.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197525;MM197525;C=CN(N=C)C(=N)OC;WEGRJSBZNIXWRV-UHFFFAOYSA-N;127.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197526;MM197526;C=NN(C=O)C(=O)OC;XZNYFWCAKCCHQP-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197527;MM197527;C=CC(=C)C(C=C)C=C;YKOKMPAILOVVTO-UHFFFAOYSA-N;120.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197528;MM197528;C=CC(C=C)C(=C)C#N;HERVKGGDPCRTPQ-UHFFFAOYSA-N;119.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197529;MM197529;C=CC(=C)C(C=C)C=O;XKDJTBOYXWWRJM-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197530;MM197530;C=CC(C=O)C(=C)C#N;RLNIMIZMWCLBHT-UHFFFAOYSA-N;121.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197531;MM197531;C=CC(C=C)C(=O)C=O;ZTQAZWTUWQEBGU-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197532;MM197532;N=c1c(N)nnc(O)n1O;KVXLVWGGSUOWKR-UHFFFAOYSA-N;143.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197533;MM197533;N#CC1CC(C=O)C1=O;CINCOZICMXBUST-UHFFFAOYSA-N;123.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197534;MM197534;O=CCC(=O)C(=O)CC=O;JHVNJBQABGTRPH-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197535;MM197535;C=C(C=O)N(C=N)C=O;KVJVGGNFETXITD-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197536;MM197536;N#CC(=N)N(C=N)C=N;OSWKOPGSODYSTP-UHFFFAOYSA-N;123.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197537;MM197537;C=CC(=N)N(C=N)C=O;YQBGMZJJDJOTIL-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197538;MM197538;C=CC(=N)N(C=O)C=O;WBEIZXKXMWDLKW-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197539;MM197539;C=CC(=O)N(C=N)C=N;JXTGFBRTXUSOPT-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197540;MM197540;C=CC(=O)N(C=N)C=O;WRQRXLUEKDJNQZ-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197541;MM197541;C=CC(=C)N(C=N)N=C;SDNWFVKZSKBHIV-UHFFFAOYSA-N;123.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197542;MM197542;C=NN(C=N)C(=C)C=O;RUNLIEXUVPRPEF-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197543;MM197543;C=CC(=C)N(C=O)N=C;SXJPYLQRVNRFSA-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197544;MM197544;C=NN(C=O)C(=C)C=O;VFRHEEYVYCQGIH-UHFFFAOYSA-N;126.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197545;MM197545;C=CC(=N)N(C=N)N=C;SNXJOXPNPIAFQC-UHFFFAOYSA-N;124.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197546;MM197546;C=NN(C=O)C(=N)C=O;FEYFXINPNNBCOI-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197547;MM197547;C=CC(=O)N(C=C)N=C;CYKUSHBRIUNGPP-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197548;MM197548;C#CC(=C)C(C=C)C=C;RQRQXYVLGNBNFF-UHFFFAOYSA-N;118.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197549;MM197549;C#CC(=O)C(C=C)C=C;FOYUXIPEPSUZNS-UHFFFAOYSA-N;120.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197550;MM197550;C#CC(=O)C(C=C)C=O;ROHOAEMQCMTESX-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197551;MM197551;C#CC(=O)C(C#N)C=C;ZXDJQXSTXDXKMP-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197552;MM197552;Cn1c(O)nc(C=O)c1N;XBRTUBDQQUVLCC-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197553;MM197553;C#CC(C#N)C(=C)CF;PSUKADUVTIJZCH-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197554;MM197554;C#CC(C#N)C(=O)CC;NYONDYPMEYSWRZ-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197555;MM197555;C#CC(C=O)C(N)=NC;OFHCUINWBOZQQE-UHFFFAOYSA-N;124.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197556;MM197556;C#CC(C=O)C(N)=NO;QUUJROPKWSPUSI-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197557;MM197557;C=NN1CC2C(C)C2(O)C1;CYDXRGBBMCRLDP-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197558;MM197558;C#CC(C=C)C(=O)NO;VEKMDCMDLCLNKE-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197559;MM197559;NN=c1[nH]c(=O)nc(O)o1;YJPOTBZUYNLHBT-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197560;MM197560;C#CC(C=O)C(=O)NO;VMUAPKHHNUKXFK-UHFFFAOYSA-N;127.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197561;MM197561;C=Cn1oc(=NN)[nH]c1=O;AMUVCQPMWIPPMC-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197562;MM197562;C#CC(C=C)C(=C)OC;CJBXLULAZCLNEH-UHFFFAOYSA-N;122.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197563;MM197563;C#CC(C#N)C(=C)OC;ZWPGVGLVJQCIFN-UHFFFAOYSA-N;121.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197564;MM197564;C#CC(C=C)C(=O)OC;QIQAUCCOPUUUSA-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197565;MM197565;C#CC(C#N)C(=O)OC;FHHVEIAJOFHVTB-UHFFFAOYSA-N;123.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197566;MM197566;C#CC(C=C)C(=C)C#N;CJZBCFMDUBNDDK-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197567;MM197567;C#CC(C=C)C(=O)C=O;BTAOJWDVNPEJTM-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197568;MM197568;C#CC(C=C)C(=O)C#N;RDAOZIRSCNSWEW-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197569;MM197569;C#CC(=C)C(C#C)C=C;MXLIPIBRLJDKRA-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197570;MM197570;C#CC(=C)C(C#C)C=O;PMTOJHJMIPOXJI-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197571;MM197571;C#CC(=C)C(C#C)C#N;PTUFFUKYUVTQOD-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197572;MM197572;C#CC(=O)C(C#C)C=C;GTGPKURVEARBGY-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197573;MM197573;C#CC(=O)C(C#C)C#N;OKCIPGUDGJKYAZ-UHFFFAOYSA-N;117.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197574;MM197574;C#CC(C#C)C(=C)CN;VYOLUWOHXBDYJS-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197575;MM197575;C#CC(C#C)C(=C)CO;WVYLHFZCNCCYPK-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197576;MM197576;C#CC(C#C)C(=C)CF;MGDPADBYNBKEFN-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197577;MM197577;C#CC(C#C)C(=C)OC;VQGYVIQDMXMYIB-UHFFFAOYSA-N;120.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197578;MM197578;C#CC(C#C)C(=C)C=C;PTWZHTMLVLELRX-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197579;MM197579;C#CC(C#C)C(=C)C#N;UKPDIIAGPNOUNY-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197580;MM197580;C#CC(C#C)C(=O)C#N;FNMNWUBSWBGILJ-UHFFFAOYSA-N;117.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197581;MM197581;C#CC(=C)C(C#C)C#C;UBUXTPORVCYWEH-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197582;MM197582;CCC(CN)C(C)=CF;SJLHEBIOANWAOZ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197583;MM197583;CC=C(C)C(CN)CF;IELJZMNTPOBVFA-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197584;MM197584;CC=C(C)C(CO)CO;FLJSGQHFCLWSFL-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197585;MM197585;CC=C(F)C(CO)CO;BPQBNMWZESUISJ-UHFFFAOYSA-N;134.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197586;MM197586;OCC(CO)C(F)=CF;XCWPJUBXQZZOGT-UHFFFAOYSA-N;138.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197587;MM197587;CC=C(F)C(CF)CF;RPVZMIMYDMJPNS-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197588;MM197588;CCC(CN)C(C)=NO;BKCZNRYWVOGRAR-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197589;MM197589;C#Cc1cc(=N)ncn1O;FQNGZOOPFHUOIC-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197590;MM197590;CCC(CF)C(C)=NO;DPCFQHRPERBKPP-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197591;MM197591;CC(=NO)C(CN)CO;NLLJDGYHXPYSPF-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197592;MM197592;CC(=NN)C(CF)CF;PGRUWUUPFGTDSG-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197593;MM197593;CNC(CN)C(F)=CF;BDYVRCCTKOLAJZ-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197594;MM197594;CCC(OC)C(C)=CF;UJRKZLNWGSNQDR-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197595;MM197595;CC=C(C)C(CO)OC;JAPKNDXFLHURSC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197596;MM197596;COC(CO)C(F)=CF;BOUWCKQSRICBLS-UHFFFAOYSA-N;138.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197597;MM197597;CC=C(C)C(OC)OC;OHZCUXXRJAYNOY-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197598;MM197598;COC(OC)C(C)=CF;XSGKHOBDMMNQOR-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197599;MM197599;CC=C(F)C(OC)OC;BEMWTLBLSUCMGR-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197600;MM197600;COC(OC)C(F)=CF;IDWRLAMFDLKXGL-UHFFFAOYSA-N;138.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197601;MM197601;CCN(CC)C(C)=NN;OWTMTAVYVBJDOM-UHFFFAOYSA-N;129.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197602;MM197602;C=CC(CC)C(C)=CC;POFWGPOSMTWVQE-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197603;MM197603;C=CC(CC)C(C)=CF;QRZHNMZOUHQOOZ-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197604;MM197604;CC=C(C)C(C=O)CC;AQKYXQFLLPHSAE-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197605;MM197605;CC=C(C)C(C#N)CC;JCHPUZOTJLGAPJ-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197606;MM197606;CCC(C=O)C(C)=CF;VZJMBENUBPIYQD-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197607;MM197607;CCC(C#N)C(C)=CF;ILRVKSKTCXSMDN-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197608;MM197608;C=CC(CN)C(C)=CC;QCDHQBPAKRUOCI-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197609;MM197609;C=CC(CN)C(C)=CF;PYJPXQWYYMWUSW-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197610;MM197610;C=CC(CO)C(C)=CF;HEIWWWNVJHPAJW-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197611;MM197611;CC=C(C)C(C=O)CO;QOHTWFDVAPADOM-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197612;MM197612;CC(=CF)C(C=O)CO;FASDRZUAASFMPO-UHFFFAOYSA-N;132.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197613;MM197613;C=CC(CF)C(C)=CF;RPNFZRXPHSJWQV-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197614;MM197614;CC=C(C)C(C=O)CF;NSODMSWOEBECKT-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197615;MM197615;CC=C(C)C(C#N)CF;CHIVXNGQJMDYOX-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197616;MM197616;C=CC(CN)C(F)=CC;LKFOXPMRZSVGNO-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197617;MM197617;CC=C(F)C(C=O)CF;ZZKFWBUFCUWUSS-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197618;MM197618;O=CC(CF)C(F)=CF;ZVDPUKQDSCKOBM-UHFFFAOYSA-N;138.09;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197619;MM197619;C=CC(CC)C(C)=NN;IKKUIHNWODCVNQ-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197620;MM197620;CCC(C=O)C(C)=NO;BVCZFLGTCWNVIB-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197621;MM197621;CCC(C#N)C(C)=NO;XPKUWFBPDAVAAK-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197622;MM197622;NN=CNN=C(CO)NO;BKTUHJIJAFQDGA-UHFFFAOYSA-N;147.14;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197623;MM197623;C=CC(CF)C(C)=NN;SCEHJZLSCBHEQQ-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197624;MM197624;C=CC(NC)C(C)=CC;QCRAMKDVGFYOAE-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197625;MM197625;C=CC(NC)C(C)=CF;GJZZCNSDEUYUCF-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197626;MM197626;CNC(C#N)C(F)=CF;FUPYONNHVVMUJO-UHFFFAOYSA-N;132.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197627;MM197627;CC=C(F)C(C#N)OC;AGSVHJLTGPEVJA-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197628;MM197628;COC(C#N)C(F)=CF;INNVCZXWDPYFCC-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197629;MM197629;CC=C(C)N(C=N)CC;OJCVOZNVNZEWAL-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197630;MM197630;CCN(C=N)C(C)=CF;MACLFYDEJVOROB-UHFFFAOYSA-N;130.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197631;MM197631;C=NN(CC)C(C)=NC;GUAGSGRSGXSYJZ-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197632;MM197632;CC=C(C)N(C=O)NC;KZVRJCUMKSSBFH-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197633;MM197633;CN=C(C)N(C=O)NC;LBVQFSDAERJFRX-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197634;MM197634;C#CC(=CC)N(O)C=NN;BYJADJKLQVMZFY-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197635;MM197635;CC=C(C)N(C=N)OC;DDQFDFNVWHZJMM-UHFFFAOYSA-N;128.18;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197636;MM197636;CON(C=O)C(C)=NO;HCYICEFQFARXSE-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197637;MM197637;C#CC(CC)C(C)=CC;XROQBQNVGZELLM-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197638;MM197638;C#CC(CC)C(C)=CF;COAKALKVFUAURV-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197639;MM197639;C#CC(CN)C(C)=CC;XDKRJPORQWXYCD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197640;MM197640;C#CC(CO)C(C)=CF;WWQJACWMIAPDDG-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197641;MM197641;C#CC(CF)C(C)=CC;ZEKZHYZAHSTFSX-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197642;MM197642;C#CC(CF)C(C)=CF;AWMICRICTJNBND-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197643;MM197643;C#CC(CC)C(F)=CC;OKPHMXPHNXGYQG-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197644;MM197644;C#CC(CN)C(F)=CC;MXDARAOCAZDFRW-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197645;MM197645;C#CC(CC)C(C)=NN;FRLKTRGNFDTWKF-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197646;MM197646;C#CC(CC)C(C)=NO;BEOUZEFFHZJGDU-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197647;MM197647;C=Cc1nc(C(C)C)c[nH]1;DPFKFWCZNOVWNX-UHFFFAOYSA-N;136.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197648;MM197648;C#CC(OC)C(F)=CF;YHUFCGUJPOZRES-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197649;MM197649;C=CC(C=C)C(C)=CC;DDXYRBKETFPEPY-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197650;MM197650;C=CC(C=O)C(C)=CC;AQBOXBXFHUTLJR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197651;MM197651;C=CC(C#N)C(C)=CC;XHOKFGWMCVLMGN-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197652;MM197652;C=CC(C=O)C(C)=CF;PWLQUICOKCFHJQ-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197653;MM197653;CC=C(C)C(C=O)C=O;VPSXDQVAJWGCOA-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197654;MM197654;C=CC(C=O)C(F)=CC;BZXVSXDQROLOPP-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197655;MM197655;C=CC(C=O)C(F)=CF;ICDZBXKWNQGTNF-UHFFFAOYSA-N;132.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197656;MM197656;CC=C(F)C(C#N)C#N;VNHLRXLTGRBCGU-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197657;MM197657;C=CN(C=N)C(C)=CC;PNIANJKIRFGTFE-UHFFFAOYSA-N;124.19;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197658;MM197658;CC=C(C)N(C=O)C=O;JQSONGRFAIHTLG-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197659;MM197659;C=CN(C=C)C(C)=NN;RVMQUFXLRYIYRB-UHFFFAOYSA-N;125.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197660;MM197660;C=CN(C=N)C(C)=NC;OUFGYWLIKHPZSB-UHFFFAOYSA-N;125.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197661;MM197661;Cn1c(F)cn(O)c1=NN;OUDZZKAXFLFXDS-UHFFFAOYSA-N;146.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197662;MM197662;CN=c1n(O)cc(F)n1N;LPPSMYTYHAVITN-UHFFFAOYSA-N;146.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197663;MM197663;CN=C(C)N(C=N)C=O;FLVCRWHERKMNCS-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197664;MM197664;CC(=NN)N(C=O)C=O;JPVWXXRCGQLZKV-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197665;MM197665;C=NN(C=O)C(C)=CC;TWCZMVBNEYWHFT-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197666;MM197666;C=CN(N=C)C(C)=NC;HFHHPIRUTQLWDA-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197667;MM197667;C=NN(C=N)C(C)=NO;KVQFLNUNMZCEHU-UHFFFAOYSA-N;128.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197668;MM197668;C#CC(C=C)C(C)=CC;VBWMOGUKGCDRJJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197669;MM197669;C#CC(C=C)C(C)=CF;UYTDXBVQBWFZDM-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197670;MM197670;C#CC(C=O)C(C)=CF;HXMWJRLVYGOMSW-UHFFFAOYSA-N;126.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197671;MM197671;C#CC(C=C)C(F)=CF;OXWJTPSSTBDPGC-UHFFFAOYSA-N;128.12;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197672;MM197672;C#CC(C#C)C(C)=CC;HWMKZHULOLWQLA-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197673;MM197673;C#CC(C#C)C(C)=CF;UMCLJZYZXZXMAH-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197674;MM197674;C#CC(C#C)C(F)=CC;XQFOSBDGHSFWPU-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197675;MM197675;C#CC(C#C)C(F)=CF;NFOBDIJWNUSHIV-UHFFFAOYSA-N;126.11;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197676;MM197676;C#CC(C#C)C(C)=NN;LBJLOCLVPZGWHH-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197677;MM197677;CC=C(CC)C(C)CC;MKTBEAOKLXOYMA-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197678;MM197678;CC=C(CC)C(C)CF;ZGEAZLWSBWSWLJ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197679;MM197679;CCC(=CF)C(C)CN;ZHYQCFPVTILBDJ-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197680;MM197680;CCC(=CF)C(C)CF;QASDQBNIEBDHRZ-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197681;MM197681;CC=C(CN)C(C)CO;FEOFLGJIDNRZET-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197682;MM197682;CC=C(CN)C(C)CF;SKJYVMAODNRGJB-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197683;MM197683;CCC(C)C(=CF)CN;KOLAWNNJWQNZAV-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197684;MM197684;CC(CN)C(=CF)CN;TWBRJVKWBUHPSQ-UHFFFAOYSA-N;132.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197685;MM197685;CC(CF)C(=CF)CN;BTRDCFXNTGBHGN-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197686;MM197686;CC=C(CF)C(C)CN;YZXHYICUJQFYAX-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197687;MM197687;CC=C(CF)C(C)CO;GZPIYWRMGQXXPY-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197688;MM197688;CC=C(CF)C(C)CF;DKJUTOYAIPJBBE-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197689;MM197689;CC(CN)C(=CF)CF;IHVCIINKRITYKT-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197690;MM197690;CC(CF)C(=CF)CF;NCFKINMIKSYUHR-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197691;MM197691;CC=C(CC)C(N)CO;QLHHTIOTTGAWCN-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197692;MM197692;CC=C(CC)C(N)CF;PLSUIBHWTFMUQR-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197693;MM197693;CCC(=CF)C(N)CC;HZBHLPQHEGUMOB-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197694;MM197694;CCC(=CF)C(N)CN;MYXZJHCPRJKYHP-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197695;MM197695;CCC(=CF)C(N)CF;CADPSSGMVDQQSA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197696;MM197696;CC=C(CN)C(N)CC;CAKQQRBGIHSVKA-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197697;MM197697;CC=C(CN)C(N)CN;JCGZMRLITWSHTE-UHFFFAOYSA-N;129.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197698;MM197698;CC=C(CN)C(N)CO;QHJGNHHBWNPIBU-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197699;MM197699;CC=C(CN)C(N)CF;TWFTUQBALLJIAY-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197700;MM197700;CCC(N)C(=CF)CN;QUGPVMLJZPPQSH-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197701;MM197701;NC(CO)C(=CF)CO;LXIZMICSPBZKAW-UHFFFAOYSA-N;135.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197702;MM197702;CC=C(CF)C(N)CN;ZBGTZMKWQPZJFW-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197703;MM197703;CC=C(CF)C(N)CF;MFYVHHNKXJYUKG-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197704;MM197704;CCC(N)C(=CF)CF;BOFRDFXWZOAACU-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197705;MM197705;CC=C(CC)C(O)CN;LMLCPYRGCCUBSA-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197706;MM197706;CC=C(CC)C(O)CO;JYCVNJLWBSOOSW-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197707;MM197707;CCC(=CF)C(O)CC;PUBCVYBTDDUEIV-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197708;MM197708;CC=C(CN)C(O)CC;GNSUHQCBMYXDEK-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197709;MM197709;CC=C(CN)C(O)CN;ZNHHHXAERLJTAS-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197710;MM197710;CC=C(CN)C(O)CF;JQCQYVPVAXTEEO-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197711;MM197711;OCC(=CF)C(O)CO;ABSAMZGLRRYMTC-UHFFFAOYSA-N;136.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197712;MM197712;OCC(=CF)C(O)CF;DCBCNZRFNSVTEO-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197713;MM197713;OCC(O)C(=CF)CF;IHCICHFERBFCHC-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197714;MM197714;CCC(=CF)C(F)CN;LOKXRKYHWJLSKA-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197715;MM197715;CC=C(CN)C(F)CN;BTTRZQRUAGCQKN-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197716;MM197716;CC=C(CN)C(F)CO;DMYHEDMIRSRZED-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197717;MM197717;CC=C(CN)C(F)CF;MGLKJJNCLNUKTL-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197718;MM197718;OCC(=CF)C(F)CO;IKKZMZXYBPDDSB-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197719;MM197719;CC=C(CF)C(F)CN;KMKXPKMEXGSYRY-UHFFFAOYSA-N;135.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197720;MM197720;NCC(F)C(=CF)CF;VYIOPAGPQWIPRN-UHFFFAOYSA-N;139.12;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197721;MM197721;CCC(=CF)C(C)NC;YWLDYXDHNABWHG-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197722;MM197722;CNC(C)C(=CF)CN;XGZKWUJRONNNNC-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197723;MM197723;CNC(C)C(=CF)CO;SSEURDLXXIANRF-UHFFFAOYSA-N;133.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197724;MM197724;CC=C(CF)C(C)NC;GXBIRNWVONMBAG-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197725;MM197725;CNC(C)C(=CF)CF;RSMFIWGDVOOPFG-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197726;MM197726;CC=C(CN)C(C)OC;LWUMZMQQYHTFHT-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197727;MM197727;ONC1=NN=C(CF)CN1;BIWHIKPOEJYTEA-UHFFFAOYSA-N;146.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197728;MM197728;CCC(=NO)C(C)CF;NMROGDXPSCWHQV-UHFFFAOYSA-N;133.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197729;MM197729;CCC(C)C(CN)=NO;DVTXFTHXUNKFQS-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197730;MM197730;CC(CF)C(CF)=NN;ILYGQQWBTXDQBS-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197731;MM197731;O=C(C=NO)C(F)(F)F;IOCQOIWCFAEMMW-UHFFFAOYSA-N;141.05;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197732;MM197732;NN=CC#CC(N)=O;LEWSYVRGADZMEG-UHFFFAOYSA-N;111.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197733;MM197733;NN=CC(F)C(N)=O;FIWYNMLDBAPEQY-UHFFFAOYSA-N;119.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197734;MM197734;N#CCc1cc(O)no1;LFMKXIBAFBUMSI-UHFFFAOYSA-N;124.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197735;MM197735;CCC(=NN)C(F)CC;ILXWFZOZYGEMSW-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197736;MM197736;CCC(=NN)C(F)CF;LFJNZRAMOYQXAD-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197737;MM197737;CNN=C(CO)NO;GKMGYYGDLFIKAJ-UHFFFAOYSA-N;119.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197738;MM197738;CCC(F)C(CF)=NN;DPPIMBLEASJBDJ-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197739;MM197739;CCc1onc(C)c1O;KEMZHYYWECEYAF-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197740;MM197740;CN=C(NN)C(C)CF;UJFUWJQZNSGXEF-UHFFFAOYSA-N;133.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197741;MM197741;CCC(O)C(=NN)NC;RNAWIOJSCLKUPC-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197742;MM197742;CN=C(NN)C(O)CO;NGUXQRTZWXVDRT-UHFFFAOYSA-N;133.15;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197743;MM197743;CC(=O)NC=CC=NN;QRXIYKHZHPUTII-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197744;MM197744;CCC(O)C(=NO)NN;ITFWVMZCIDILCF-UHFFFAOYSA-N;133.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197745;MM197745;CC(=CC=NN)NC=O;UITBSCUGHNNSCV-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197746;MM197746;CCC(O)C(=NO)NC;JOQFPYMQYGFHNU-UHFFFAOYSA-N;132.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197747;MM197747;CCC(F)C(=NO)NC;OQIDJSMEOQJOKM-UHFFFAOYSA-N;134.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197748;MM197748;NN(C=O)C=CNC=O;BDIXBAIEHNIIAV-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197749;MM197749;CN1CC1CC(O)CF;HTTLCAWECCIDNY-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197750;MM197750;COC(C)C(=NO)NO;WWEMCJKKQPBMBO-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197751;MM197751;CC=C(OC)C(C)CO;LDHBBGZITPPGTD-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197752;MM197752;CC=C(OC)C(N)CC;BZPVUQWLYHNKRP-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197753;MM197753;CC=C(OC)C(N)CN;MNNHBAARWFVCDE-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197754;MM197754;CCC(N)C(=CF)OC;LLNSIPZGWWKVPZ-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197755;MM197755;COC(=CF)C(N)CN;BMOFBKBLHNICBY-UHFFFAOYSA-N;134.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197756;MM197756;COC(=CF)C(N)CO;KOBKMXBTNVTQNP-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197757;MM197757;CC=C(OC)C(O)CN;OYJPOMXJIWLERS-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197758;MM197758;CC=C(OC)C(O)CF;DFUZHICDHVEQJD-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197759;MM197759;CCC(O)C(=CF)OC;KRRKLHJCMZVPAY-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197760;MM197760;COC(=CF)C(O)CN;XEQXGPVHUQJDID-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197761;MM197761;CC=C(OC)C(F)CO;WHCHISKPJOHROX-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197762;MM197762;CC=C(OC)C(C)NC;GOFVIEGFXBVLLG-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197763;MM197763;CC=C(OC)C(C)OC;PSOKJHYCFNZLBT-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197764;MM197764;COC(=CF)C(C)OC;ADMMTOTXYMYMGL-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197765;MM197765;Cc1cc(NO)nn1N;VMGAZUDFYZWTHL-UHFFFAOYSA-N;128.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197766;MM197766;CNc1ccc(C#N)[nH]1;CPIWTDMFPUEEPT-UHFFFAOYSA-N;121.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197767;MM197767;CCC(C)C(=NO)OC;YCPNEASRPZWYBF-UHFFFAOYSA-N;131.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197768;MM197768;COC(=NO)C(C)CN;AFSYKYPXIMJYCR-UHFFFAOYSA-N;132.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197769;MM197769;COC(=NN)C(O)CO;MVURFKGDUFAMPN-UHFFFAOYSA-N;134.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197770;MM197770;COC(=NN)C(O)CF;NCSCEKYLRQWTHM-UHFFFAOYSA-N;136.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197771;MM197771;C#Cc1cc(NN)n[nH]1;YXUSHHDMZCJBBI-UHFFFAOYSA-N;122.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197772;MM197772;CCN(C)C(CO)=NN;OFLLRNFWFIYBAQ-UHFFFAOYSA-N;131.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197773;MM197773;CCN(C)C(CO)=NO;XFTMVSCHFOIMJM-UHFFFAOYSA-N;132.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197774;MM197774;N#CCNC(=N)OC(N)=O;GEMOEGGBRXVASI-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197775;MM197775;CC(O)C=NNC(=N)CO;MNEMETBAVOPRHV-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197776;MM197776;CCN(O)C(CO)=NO;XGMIUQUTJWKEJD-UHFFFAOYSA-N;134.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197777;MM197777;CCC(=NC)N(C)NC;SCVZCCIXLDTHQH-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197778;MM197778;CN=C(CN)N(C)NC;KAHSHZIFKLVIKM-UHFFFAOYSA-N;130.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197779;MM197779;CN=C(CO)N(C)NC;KYKGLFRNQNYMJQ-UHFFFAOYSA-N;131.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197780;MM197780;CC(=O)NC=CC(C)=NN;LREBGSXAHFQBKS-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197781;MM197781;CCC(=NC)N(C)OC;MLPYQPZVGTYDRJ-UHFFFAOYSA-N;130.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197782;MM197782;CN=C(CN)N(C)OC;OIHYXEXEYNMIOA-UHFFFAOYSA-N;131.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197783;MM197783;C=NN(C)CC(=C)NC=O;GFIANPMJKUGHDK-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197784;MM197784;CON(C)C(CO)=NO;VLQSLCTYMSWHBK-UHFFFAOYSA-N;134.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197785;MM197785;CCN(C)C(=NC)NC;NDQWMVRLOFTMHU-UHFFFAOYSA-N;129.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197786;MM197786;CCN(C)C(=NN)NN;QMSCZRWODNRUDM-UHFFFAOYSA-N;131.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197787;MM197787;CCN(C)C(=NN)NO;VNEYLSVVORUWBA-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197788;MM197788;CC(O)CN(O)C(=N)C#N;SFZQCANRHBYRML-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197789;MM197789;CCN(N)C(=NN)NC;PWFXAFWHEQMQPL-UHFFFAOYSA-N;131.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197790;MM197790;CCN(N)C(=NC)NO;NDJWTKCTSIMCGI-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197791;MM197791;CCN(O)C(=NN)NC;UMUOWXZOGJNQJM-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197792;MM197792;CC(=N)N=C(CO)N(C)O;WFPPKDFYDKDNJG-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197793;MM197793;CCN(O)C(=NC)NN;UMUOWXZOGJNQJM-UHFFFAOYSA-N;132.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197794;MM197794;CNC(=NN)N(C)NC;TZCPYOZEMSNEED-UHFFFAOYSA-N;131.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197795;MM197795;CCN(C)C(=NC)OC;GNWYGQMMXBGBJC-UHFFFAOYSA-N;130.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197796;MM197796;O=CON=CC(O)CCO;VETHRMBFLVEGBW-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197797;MM197797;CC=C(CC)C(C)C=O;PKDKOBHUELTSRH-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197798;MM197798;CC=C(CC)C(C)C#N;VUSIRFHKOMEKNL-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197799;MM197799;CCC(=CF)C(C)C=O;KHMHKRFQLVPBQZ-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197800;MM197800;C=CC(C)C(=CC)CN;VHFBPLSLTIHRKR-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197801;MM197801;C=CC(C)C(=CF)CN;BIDMJGOCGHABOR-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197802;MM197802;CC=C(CF)C(C)C=O;YEOUKDDCVHLKHK-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197803;MM197803;C=CC(C)C(=CF)CF;LSWPFSNUCCSVCV-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197804;MM197804;CC(C=O)C(=CF)CF;SXQWKMSQQBTAOI-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197805;MM197805;C=CC(N)C(=CF)CN;GWHXJEHVNNMRDF-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197806;MM197806;C=CC(N)C(=CC)CF;PCJQDBRYVYOGKA-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197807;MM197807;C=CC(N)C(=CF)CF;AKJWSNFOJAVTBF-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197808;MM197808;CC=C(CC)C(O)C#N;ONXOCDHXATUTEM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197809;MM197809;CCC(=CF)C(O)C#N;JKVFKFXPAZDASJ-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197810;MM197810;N#CC(O)C(=CF)CO;IAELPGLHJFJBQV-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197811;MM197811;CC=C(CF)C(O)C=O;XTEIUXMGLUZWQZ-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197812;MM197812;C=CC(O)C(=CF)CF;QHYLGFSGPRJCHQ-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197813;MM197813;O=CC(O)C(=CF)CF;KUHGWCGGSUMWCY-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197814;MM197814;CC=C(CC)C(F)C#N;SBAOKPXPMWAUIL-UHFFFAOYSA-N;127.16;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197815;MM197815;CCC(=CF)C(F)C#N;WMXZXCYVKVHUSU-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197816;MM197816;O=CC(F)C(=CF)CO;PJNBNFQQZIDABO-UHFFFAOYSA-N;136.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197817;MM197817;Cc1nnc(O)[nH]1;XLSXXXARCKJHOR-UHFFFAOYSA-N;99.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197818;MM197818;CC(O)c1cnnc(=N)o1;NAPKNHFNPUWDPA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197819;MM197819;COc1cc(=O)n(N)[nH]1;HJFIIABBQKZPQM-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197820;MM197820;C=CCC(=CNC)C(=O)O;DYQGQRCXYKRLFV-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197821;MM197821;C=NNC(CO)(CO)CO;DFLCVDDPRFLDSZ-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197822;MM197822;N=c1cnc(O)nn1N;JIWXFQVLYMYKAH-UHFFFAOYSA-N;127.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197823;MM197823;CC(C=O)C(=NO)NO;PPPHAQYXSBFYDE-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197824;MM197824;CC=C(OC)C(C)C=O;POHWEXMOQUJUGE-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197825;MM197825;CC=C(OC)C(C)C#N;SFSAVVRKJKSVKX-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197826;MM197826;C=CC(N)C(=CC)OC;OGISZTZOXJZERJ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197827;MM197827;C=CC(N)C(=CF)OC;XXRDDJAWGWAMMG-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197828;MM197828;C=CC(O)C(=CC)OC;SVDUOMZYUHOMGP-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197829;MM197829;COC(=CF)C(O)C=O;JOEJBCPLSPMCHP-UHFFFAOYSA-N;134.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197830;MM197830;CC=C(OC)C(F)C#N;RWSBJPIWXDEVOM-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197831;MM197831;COC(=CF)C(F)C#N;IHZSMLUIONQNDM-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197832;MM197832;CC(C)NN=C(CO)NO;SHBUBZSTDDPSTJ-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197833;MM197833;C=CC(C)C(=NO)OC;YGWCXTVGBJYERE-UHFFFAOYSA-N;129.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197834;MM197834;N=c1n(O)nc(O)n1O;OWZMLSHOZSGUCN-UHFFFAOYSA-N;132.08;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197835;MM197835;CN(C=N)C(=CF)CO;MEONXLNFPZKSBN-UHFFFAOYSA-N;132.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197836;MM197836;CN(C=O)C(=CF)CO;NBOCITNEFWIOMA-UHFFFAOYSA-N;133.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197837;MM197837;CC=C(CC)N(N)C=N;XKJWNBPBEFSCTP-UHFFFAOYSA-N;127.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197838;MM197838;CC=C(CC)N(N)C=O;UUNZIMOIRVPFSC-UHFFFAOYSA-N;128.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197839;MM197839;CC=C(CF)N(N)C=N;YRFJXGWTQBJKAD-UHFFFAOYSA-N;131.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197840;MM197840;CC=C(CC)N(O)C=N;HUZDUJSXPZWIDG-UHFFFAOYSA-N;128.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197841;MM197841;CC=C(CO)N(O)C=O;ARPDPDZVHLKHCM-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197842;MM197842;CC=C(CF)N(O)C=O;PIMJSQFHSWGIOA-UHFFFAOYSA-N;133.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197843;MM197843;COC(C#CC(N)=O)=NN;FXYAQDBZHQODAB-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197844;MM197844;CCC(=NN)N(C)C=N;BRAQYIUUVADMQG-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197845;MM197845;C=CN(C)C(CN)=NC;ROHHZBLSTPEDFN-UHFFFAOYSA-N;127.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197846;MM197846;C=CN(C)C(CO)=NC;XXSJJHDDISAXTA-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197847;MM197847;CN=C(CO)N(C)C=N;PMINUXYVBFJJMD-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197848;MM197848;CN(C=O)C(CO)=NN;VYMBYSUPELQENC-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197849;MM197849;C=CN(C)C(CO)=NO;FUFLIPFQKNEVRX-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197850;MM197850;CN(C=O)C(CO)=NO;RSZWSCWYKDAZDP-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197851;MM197851;CN=C(CF)N(C)C=O;QDZMVQBRMUPOQB-UHFFFAOYSA-N;132.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197852;MM197852;CN(C=O)C(CF)=NN;LIJMLPQWZFRRPN-UHFFFAOYSA-N;133.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197853;MM197853;CCC(=NC)N(N)C=O;NIGGFAOVZNDUOD-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197854;MM197854;COC(C)C(O)CC=NN;UYJJFNYVWLIDPD-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197855;MM197855;CCC=NOCC(=O)C=O;XIDMDDRFBLQQFQ-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197856;MM197856;N=CN(N)C(CO)=NO;JNNSMGVPBVIVRD-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197857;MM197857;C=CC(O)C(CF)NN=C;UDGHDJIMNGLKJJ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197858;MM197858;C=CN(O)C(CC)=NO;PXKCNQNTYSQESG-UHFFFAOYSA-N;130.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197859;MM197859;CN=CN=C(CO)N(C)O;AUAHJPFAQYLQKH-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197860;MM197860;Nc1c(F)c(N)n(O)c1N;BBCDMFJKOQMVEO-UHFFFAOYSA-N;146.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197861;MM197861;CCCNN=C(CO)NO;AFHBPWYMFJPHET-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197862;MM197862;C#CCNN=C(CO)NO;HMKCIQRNAPGHHA-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197863;MM197863;O=Cn1cnc(=NO)[nH]1;VXKBNRIPLBYSOK-UHFFFAOYSA-N;128.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197864;MM197864;C=NN(C)C(CC)=NC;IWSMSWFPGLYYJL-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197865;MM197865;CC1C(C#N)NC2CC21O;WZWJGBVBQIECMC-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197866;MM197866;C=NN(C)C(CO)=NO;KHKIOSIJXBPKBB-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197867;MM197867;CN=C(NC)N(C)C=N;RAHSHUCNTMAFKG-UHFFFAOYSA-N;128.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197868;MM197868;CN=C(NC)N(C)C=O;YPIUTJKDJMIPJR-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197869;MM197869;CNC(=NN)N(C)C=N;SQDOZFBTHVJGPY-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197870;MM197870;CNC(=NO)N(C)C=N;LELUCZKZKXNPGT-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197871;MM197871;CN=C(NN)N(C)C=N;SQDOZFBTHVJGPY-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197872;MM197872;C=CN(C)C(=NN)NN;GKVAMTWYVMHHBQ-UHFFFAOYSA-N;129.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197873;MM197873;C=C1CC(=NN)C2CC12O;QXGDFXOELBCBIY-UHFFFAOYSA-N;138.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197874;MM197874;CN=C(NO)N(C)C=N;LELUCZKZKXNPGT-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197875;MM197875;CCCc1nc(NC)n[nH]1;DNZPGUZUXQOFLH-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197876;MM197876;N#CC1NC1CC(O)CF;YJRBUBSTVVJEKU-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197877;MM197877;CN(C=O)C(=NO)NO;UQXOXAJIRRLREP-UHFFFAOYSA-N;133.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197878;MM197878;CN=C(NC)N(N)C=O;DEZYZBVHRCFQRM-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197879;MM197879;C=CN(N)C(=NN)NC;VPMBXELDYWGBIU-UHFFFAOYSA-N;129.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197880;MM197880;C=Cc1[nH]nc(NO)c1C;LTOWDQSXFAMXGT-UHFFFAOYSA-N;139.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197881;MM197881;C=CN(N)C(=NN)NN;HKNUCHSQECGSED-UHFFFAOYSA-N;130.16;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197882;MM197882;N=CN(N)C(=NN)NN;DKKSEGLMOMSAGN-UHFFFAOYSA-N;131.14;-2.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197883;MM197883;CNN1CC(F)C1=O;MHIDTQIRKYBVNS-UHFFFAOYSA-N;118.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197884;MM197884;C=CN(N)C(=NN)NO;YMSFSQAWIYFOPE-UHFFFAOYSA-N;131.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197885;MM197885;C=NN1CC(C)(O)C1C;OXXZFLRWDBITQL-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197886;MM197886;CON=CC(O)CCO;CYYLNGCJQKLWMU-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197887;MM197887;NN(C=O)C(=NO)NO;DHBPVOKLYLHHMS-UHFFFAOYSA-N;134.1;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197888;MM197888;CN=C(NC)N(O)C=N;GPAASBTZUUUJNJ-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197889;MM197889;C=NNCCC(O)CF;SFGMJIVREQJLFV-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197890;MM197890;C=NN(CC#N)C(N)=O;QGIBYPJHLWGBEG-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197891;MM197891;CC1NC(=O)C2(C)NC12;HMBNERILAIBHMR-UHFFFAOYSA-N;126.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197892;MM197892;CC=C(OC)N(C)C=O;QMSKASUCRACBIS-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197893;MM197893;CC=C(OC)N(N)C=N;HZSMZBVQCSGUTJ-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197894;MM197894;N=c1nc(CO)n(N)o1;IKECOOYAKLHKJO-UHFFFAOYSA-N;130.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197895;MM197895;CNc1coc(NC)n1;DWUGMPPACXURCB-UHFFFAOYSA-N;127.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197896;MM197896;COC(=NO)N(C)C=O;SBZIHFZPBIAMDT-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197897;MM197897;CN=C(OC)N(N)C=O;FKNBXBLERYBYGX-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197898;MM197898;OC(CF)CCN1CC1;MFBHRNYAIVMILW-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197899;MM197899;COC(=NO)N(N)C=O;XJHKYSIDPSJIBA-UHFFFAOYSA-N;133.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197900;MM197900;C=C(C)C(=NN)C(C)(C)O;UBIYEAAILDBQME-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197901;MM197901;C#CCC(=NN)C(C)(C)O;FPYJYGMCXWVMGR-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197902;MM197902;COC(=NO)N(O)C=N;LJODSTAQLNRECN-UHFFFAOYSA-N;133.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197903;MM197903;C#CC(C)C(=CC)CC;KHKURYGVXLFBOY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197904;MM197904;C#CC(C)C(=CC)CN;JJGDYQMPTPURPX-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197905;MM197905;C#CC(C)C(=CF)CN;DKJPYWMECHZKNN-UHFFFAOYSA-N;127.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197906;MM197906;C#CC(N)C(=CC)CN;DQEGKZRMBULQCC-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197907;MM197907;C#CC(N)C(=CF)CN;MQSWUTVCDXBJSW-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197908;MM197908;C#CC(N)C(=CC)CF;SOANQGFTJFIVIF-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197909;MM197909;C#CC(O)C(=CF)CC;GFUSSOYVHPKZOW-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197910;MM197910;C#CC(O)C(=CC)CF;RYTDWZPHLSNWTF-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197911;MM197911;C#CC(O)C(=CF)CF;NCIXDDXXBGMUSG-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197912;MM197912;C#CC(F)C(=CC)CC;PQELUIUUYNWMAH-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197913;MM197913;C#CC(F)C(=CC)CN;XLCXHCMHSBDDHH-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197914;MM197914;C#CC(F)C(=CF)CO;QKCOONRGYXBPFT-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197915;MM197915;C#CC(F)C(=CC)CF;ZTARCDMIIQAINW-UHFFFAOYSA-N;130.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197916;MM197916;C#CC(C)C(CC)=NO;GYNYUAJAOGJLOG-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197917;MM197917;C#CC(C)C(CF)=NN;IVZSJZSINCZJJY-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197918;MM197918;Cn1oc(=O)c(=O)nc1O;ISFDRODCBXXJLJ-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197919;MM197919;C#CC(O)C(CO)=NN;GCQMTUHHRIVAHL-UHFFFAOYSA-N;128.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197920;MM197920;N#Cc1coc(C#N)c1O;HQHVGTDRENLKKW-UHFFFAOYSA-N;134.09;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197921;MM197921;CC(O)C(=N)NC(=N)C#N;CRYPSTNSSIXFFB-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197922;MM197922;CNC(=O)ON=CN(C)N;YGSSTKINYNGHRE-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197923;MM197923;N#CCC(=O)C(CO)=NO;FSOSCMSWAFCDBY-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197924;MM197924;O=CNC(C=O)C=O;YMNINONGQDTUOA-UHFFFAOYSA-N;115.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197925;MM197925;C#CC(O)C(=CC)OC;SOMYTPNEDKCGQJ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197926;MM197926;C#CC(F)C(=CC)OC;LSMOVQHIJKMNKV-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197927;MM197927;C#CC(F)C(=CF)OC;XYNUNVKCXHZTAE-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197928;MM197928;CC=C(C=O)C(C)CO;MJHKIYUHHHFJIA-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197929;MM197929;CC=C(C#N)C(C)CO;SVMFWINFBUBXQZ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197930;MM197930;CC=C(C#N)C(C)CF;FLUPFZMKQBNLBT-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197931;MM197931;CC(CF)C(C=O)=CF;JTQBLKOLVDLLDD-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197932;MM197932;C=CC(=CF)C(O)CC;BMGCNRMLRGSDQS-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197933;MM197933;C=CC(=CF)C(O)CN;QAYPFTWUEQESKX-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197934;MM197934;CCC(O)C(C=O)=CN;YXEIFKOYLGLQSL-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197935;MM197935;CCN(N)C=NC(=O)NC;MDLZOPPCTPFMQY-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197936;MM197936;NC=C(C=O)C(O)CF;AZRORTKRHIZXAV-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197937;MM197937;CCC(O)C(C#N)=CF;QAQHVQOPENEFOR-UHFFFAOYSA-N;129.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197938;MM197938;CC=C(C=O)C(F)CC;ALDLBJZEVVCBNJ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197939;MM197939;CCC(F)C(C=O)=CF;JKNJYSNAAPXQNC-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197940;MM197940;C=CC(=CF)C(C)NC;HHVPXWKXIPYPIR-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197941;MM197941;CC=C(C=O)C(C)NC;KRCASQNTBMQICB-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197942;MM197942;COC(C)C(C=O)=CN;DKOQLVDLHBCNTK-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197943;MM197943;C=CC(=NO)C(C)CN;SVRXVMMRFVVGDT-UHFFFAOYSA-N;128.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197944;MM197944;C=Nn1oc(O)nc1=O;YNWLELXDXAGZPN-UHFFFAOYSA-N;129.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197945;MM197945;C#Cc1ncc(O)o1;HRZMXCYJUCLSCI-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197946;MM197946;Nc1c(F)n[nH]c1O;GHJOAHIAHUMSTC-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197947;MM197947;CCN=c1nc(O)n(O)o1;MTYTYPMJERDZBM-UHFFFAOYSA-N;145.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197948;MM197948;C=Cc1cc(O)n(O)n1;VLPHEKJSNRMAFI-UHFFFAOYSA-N;126.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197949;MM197949;Nn1cc(O)oc(=O)c1=O;ZPZDKHHAUQRCJX-UHFFFAOYSA-N;144.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197950;MM197950;C=CC(=NO)N(C)OC;ITWUNRSMKIAVLN-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197951;MM197951;CN=C(C=O)N(C)OC;CTLZEHLAKBHXAO-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197952;MM197952;CON(C)C(C=O)=NO;MBWLNGKEDONIJM-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197953;MM197953;C=CC(=CC)C(C)C#N;ITKDOGIZXSXSFB-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197954;MM197954;C=CC(=CF)C(C)C=O;DCIIFPSIVJTWQU-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197955;MM197955;CC=C(C#N)C(C)C=O;BTPNUDHPQDYVKJ-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197956;MM197956;CC(C=O)C(C=O)=CN;MPXOSTAEITXWFX-UHFFFAOYSA-N;127.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197957;MM197957;C=CC(C)C(C=O)=CF;APHVFVCXHGWNGV-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197958;MM197958;C=CC(=CC)C(O)C=O;GSGCXJLDWDKLQQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197959;MM197959;C=CC(=CC)C(O)C#N;IFOLHQHBQJBRDX-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197960;MM197960;C=CC(O)C(C=O)=CC;ZKYVMRCLCKLBJC-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197961;MM197961;CC=NOC(=O)NCCC;KLUBZDLCANJHEE-UHFFFAOYSA-N;144.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197962;MM197962;N#CC(=CN)C(O)C=O;QEZFRYRIHOPWQU-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197963;MM197963;N#CC(O)C(C=O)=CN;CTLYYSXXFHWZSF-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197964;MM197964;O=CC(=CF)C(O)C=O;YTESGYXREUVTCM-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197965;MM197965;C=CC(=CC)C(F)C#N;RHDJCQLATDGQKR-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197966;MM197966;CC=C(C#N)C(F)C#N;ZSDAHMKPQYOKAU-UHFFFAOYSA-N;124.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197967;MM197967;CON=C(CO)N(N)C=O;VYBPVRQEXIKNCJ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197968;MM197968;N#CC(F)C(C=O)=CN;LTTHNDQIGTWLPC-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197969;MM197969;N#CC(=CF)C(F)C=O;VRSFGTJNQFMWOU-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197970;MM197970;N#CC(=CF)C(F)C#N;BCVGRSFFRJGURX-UHFFFAOYSA-N;128.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197971;MM197971;C#Cc1cc(=NO)n(O)[nH]1;KUWRHBPDVNWELD-UHFFFAOYSA-N;139.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197972;MM197972;NN=c1nc(O)cnn1N;RSHMKDMRVMKNTE-UHFFFAOYSA-N;142.12;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197973;MM197973;CON=C(CO)NOC=O;HCBSMUDOHITCFP-UHFFFAOYSA-N;148.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197974;MM197974;CN(C=N)C(C=O)=CN;IDTZMWFRHBCFJB-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197975;MM197975;CN(C=N)C(C#N)=CN;GMRVKSDJSOYQLM-UHFFFAOYSA-N;124.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197976;MM197976;CN(C=O)C(C=O)=CF;ZNWJLEPZQDUREL-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197977;MM197977;N=c1nnn(N)c(CO)n1;XCEDSKMASBLQRG-UHFFFAOYSA-N;142.12;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197978;MM197978;NN=C(CO)NN=CCO;GGWGGLNKOGOWFC-UHFFFAOYSA-N;146.15;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197979;MM197979;CCNc1coc(NC)n1;IALUUXZNJOILTD-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197980;MM197980;C=CCc1cc(NO)n[nH]1;DWIZRTHIKOAEPZ-UHFFFAOYSA-N;139.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197981;MM197981;CN=c1nc(CO)n(N)o1;NPLPYQIYMULTAI-UHFFFAOYSA-N;144.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197982;MM197982;C=CN(C)C(C=O)=NC;UMDGQCOWDXPUQN-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197983;MM197983;C=CC(=NC)N(N)C=C;UZDBECDWLZQGSA-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197984;MM197984;C=CC(=NO)N(O)C=C;YWDPPRGFGXRREO-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197985;MM197985;Cc1nnc(=O)n(C)c1O;HGLAIDPUOHFVQL-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197986;MM197986;O=c1c(CF)c[nH]n1O;QQUKWLYGCJNTOA-UHFFFAOYSA-N;132.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197987;MM197987;NN=c1nc(CO)n(N)o1;NHCNSSSAGSIGAB-UHFFFAOYSA-N;145.12;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197988;MM197988;C=NN(C)C(C=O)=NC;FOIOJARNYATWHO-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197989;MM197989;C#CC(C)C(C=C)=CC;KUXILTCPYOLWCO-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197990;MM197990;C#CC(C)C(C#N)=CC;OJMRPXBPNSDPGP-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197991;MM197991;C#CC(N)C(C=C)=CC;BIZKKOAVRDGDTA-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197992;MM197992;C#CC(N)C(C=C)=CF;JWHUCKWSAGAHQJ-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197993;MM197993;C#CC(O)C(C=C)=CF;HQYVJCQNRSJGEC-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197994;MM197994;C#CC(O)C(C=O)=CN;LOLZKKJGFLSEMG-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197995;MM197995;C#CC(F)C(C=C)=CC;MQADBFJRGVFIJO-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197996;MM197996;C#CC(F)C(C#N)=CC;DNJVQGYNHCNNNJ-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197997;MM197997;C#CC(F)C(C#N)=CF;OKTGPCISEVOMDD-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197998;MM197998;C#CC(C)C(C=C)=NO;PTXVCEMQJYFLDS-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM197999;MM197999;c1nn[nH]n1;KJUGUADJHNHALS-UHFFFAOYSA-N;70.06;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198000;MM198000;Cn1c(O)nnnc1=NO;XAOPZNMXRUFFBQ-UHFFFAOYSA-N;143.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198001;MM198001;C#CCC(=NO)C(F)CO;JXWSOAFGUOZULW-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198002;MM198002;C#CC(=CC)C(C)CC;XNMQLANWQJEHNX-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198003;MM198003;C#CC(=CF)C(F)CO;TXCCBCCNPDURAD-UHFFFAOYSA-N;132.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198004;MM198004;C#CC(=NO)C(C)CN;DGDQPVQITBQRAF-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198005;MM198005;C#CC(=NO)C(N)CN;CASUFHOHTSCVJB-UHFFFAOYSA-N;127.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198006;MM198006;C=NN1CC1C1(O)CC1C;TZARYUHFBQEYFB-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198007;MM198007;C#CC(=CC)C(C)C=O;OOLFQTMSWQYRLH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198008;MM198008;C#CC(=CC)C(C)C#N;QOXTXOJAGYMUOB-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198009;MM198009;C#CC(=CF)C(C)C#N;BOEBDYJRKUWUTF-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198010;MM198010;C#CC(=CC)C(F)C#N;BFHIXNGZDWGFPF-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198011;MM198011;C#CC(=CF)C(F)C=C;LUPFHQVUQGGPOV-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198012;MM198012;C#CC(=CF)C(F)C=O;HLQIUVVVCPDCRL-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198013;MM198013;C#CC(=CF)C(F)C#N;WFVALJSVZOWAPP-UHFFFAOYSA-N;127.09;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198014;MM198014;CC(C)c1ncc(O)o1;NXMVIFQXMBRBCZ-UHFFFAOYSA-N;127.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198015;MM198015;C#CC(=CC)N(C)C=N;YASOEQHHEPTTGJ-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198016;MM198016;CCc1n[nH]c(CC)c1F;MAEBKFBWJRJFGG-UHFFFAOYSA-N;142.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198017;MM198017;O=CC1C=CC(CO)=NO1;NRTJVUGPTARANO-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198018;MM198018;C#CC(=CC)C(C)C#C;GAEIQCFCFIKXBM-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198019;MM198019;C#CC(=CF)C(C)C#C;PRKZUICIOLSTLC-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198020;MM198020;C#CC(=CC)C(O)C#C;KECMQCPTGCDNLA-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198021;MM198021;C#CC(=CF)C(O)C#C;IQJWAVGOASSAGO-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198022;MM198022;C#CC(=CC)C(F)C#C;GCBYBMVYKHQKHL-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198023;MM198023;C#CC(=CF)C(F)C#C;LPZVXISSMPLBLR-UHFFFAOYSA-N;126.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198024;MM198024;C#CC(=NN)C(C)C#C;JAJYNFKODNQTDU-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198025;MM198025;C#CC(=NO)C(C)C#C;FZKAFBMVXSLVDX-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198026;MM198026;C=C(CF)C(=CC)CC;FBUZQGMFSZMAKM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198027;MM198027;C=C(CO)C(=CF)CC;QRRJHMZWGDVCMI-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198028;MM198028;C=C(CC)C(=CC)CN;BNUKWZVJRNRVHK-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198029;MM198029;C=C(CN)C(=CF)CN;VAXHSAUCABXELP-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198030;MM198030;C=C(CF)C(=CF)CO;PXQZILHFKILRTN-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198031;MM198031;C=C(CN)C(=CC)CF;MVSDLOKFERIWSR-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198032;MM198032;C=C(CN)C(=CF)CF;TUMBHFQBIGCLKO-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198033;MM198033;CCC(=O)C(=CF)CC;DBVFONRLPYEHFO-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198034;MM198034;NC=C(CO)C(=O)CO;YUYXBTQBXFNXBT-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198035;MM198035;NC=C(CO)C(=O)CF;VHBBBQOQUVFEEO-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198036;MM198036;CC=C(CC)C(=N)NN;VMDHHHRTKYKCMW-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198037;MM198037;CCC(=CN)C(=N)NN;TZJOXFINWLCCFD-UHFFFAOYSA-N;128.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198038;MM198038;CCC(=CN)C(=N)NO;YJSXICUSNGJZIV-UHFFFAOYSA-N;129.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198039;MM198039;N=C(NN)C(=CF)CO;KNDBXKUUNRNYJW-UHFFFAOYSA-N;133.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198040;MM198040;CC=C(CF)C(=N)NN;QOLAFYMQSHRXGC-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198041;MM198041;CC=C(CF)C(=N)NO;YQZVSSQWVIDGPY-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198042;MM198042;CNC1=NN=C(CO)NO1;LHXDNCUULBGGQB-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198043;MM198043;C=NOC1(C)CC1O;QEPVLIAMBWPXEM-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198044;MM198044;CC=C(CO)C(=O)NC;KYRZBPZPKUPMAO-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198045;MM198045;C=Cc1coc(N)n1;MEFOINDLWGMSQE-UHFFFAOYSA-N;110.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198046;MM198046;CC=C(CO)C(=O)NO;MQUXPMBBCNIRPG-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198047;MM198047;CNc1nc(N)co1;VEXSNUGREIWICK-UHFFFAOYSA-N;113.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198048;MM198048;NC=C(CO)C(=O)NO;PCQVLWUJKXFDLM-UHFFFAOYSA-N;132.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198049;MM198049;CC=C(CF)C(=O)NO;XKLTZWOZUASDKQ-UHFFFAOYSA-N;133.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198050;MM198050;CON=C(CO)NOC;IBZCAQBHDBFMRX-UHFFFAOYSA-N;134.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198051;MM198051;NC=C(CF)C(=O)NO;WCBDIAIHUHFXHJ-UHFFFAOYSA-N;134.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198052;MM198052;C=C(OC)C(=CC)CC;MCZBKLOHEABLHU-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198053;MM198053;C=C(OC)C(=CF)CO;SVSMSRDUJZJKCV-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198054;MM198054;CC=C(CC)C(=O)OC;URKOXBDVSBIUED-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198055;MM198055;COC(=O)C(=CN)CO;HPYHGQGIDFJOEA-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198056;MM198056;COC(=O)C(=CF)CO;XSJHJKLOTCBNHU-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198057;MM198057;COC(=O)C(=CF)CF;SJDRDRDRKIKWDR-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198058;MM198058;Cn1nc(CO)cc1N;ZTKXEYGIPCXWTN-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198059;MM198059;C=C(CO)C(CC)=NO;AXKBQQLUIIOQRX-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198060;MM198060;C=C(CC)C(CO)=NO;ODFNYQVCZKSZDR-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198061;MM198061;C=C(CN)C(CO)=NO;RKMLEAVZKOLXJF-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198062;MM198062;CCC(=O)C(CC)=NO;FEXFOJWILSEGPI-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198063;MM198063;N#Cc1n[nH]c(O)c1N;ZAOJMCHSMFDSFR-UHFFFAOYSA-N;124.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198064;MM198064;C=Cc1c[nH]n(N=C)c1=O;QUCZBPFUNWHCLN-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198065;MM198065;C=Cc1n[nH]c(=NC)o1;GHRDSOXKQGKGST-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198066;MM198066;CC#Cc1c[nH]c(C)n1;LVCIHNCYKRYQEI-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198067;MM198067;CNC(=O)C(CO)=NN;XOUAMMLXTZVZBC-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198068;MM198068;NN=C(CO)C(=O)NN;QHMUYKXAKSVFLN-UHFFFAOYSA-N;132.12;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198069;MM198069;NN=C(CO)C(=O)NO;MTQIGSFRRGEYIV-UHFFFAOYSA-N;133.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198070;MM198070;Cn1c(O)nnnc1=N;HXGPPHHOTXFVPP-UHFFFAOYSA-N;127.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198071;MM198071;C=C(OC)C(CF)=NN;SHSUSTAYVCRGKA-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198072;MM198072;C=C(CO)C(=NC)NC;QHJKMFURBHINSE-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198073;MM198073;C=C(CF)C(=NC)NC;JZJGCULRADSIQE-UHFFFAOYSA-N;130.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198074;MM198074;C=C(CF)C(=NC)NN;AZYRBNJOGOUZIF-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198075;MM198075;C=C(CN)C(=NC)NO;BPEKZDKIXCOLGE-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198076;MM198076;C=C(CC)C(=NO)NO;AGAKTLMSYAAAGI-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198077;MM198077;C=C(CO)C(=NO)NO;YGTQRIQEVBKMKG-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198078;MM198078;CCC(=O)C(=NO)NO;BUJKHIVTKZOUGF-UHFFFAOYSA-N;132.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198079;MM198079;CNC(=N)C(=NO)NC;OKIBPHSWLPLRHK-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198080;MM198080;CC=Cc1coc(N)n1;YLXNSQDBSIIPFS-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198081;MM198081;CNC(=O)C(=NO)NC;ZWHGSXRTNAENFV-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198082;MM198082;CC1CN1C=NC(N)=O;RTIVRVDFYNQVKR-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198083;MM198083;C#CC1CC2(O)CN1C2;UTMGWTKKLHAKSZ-UHFFFAOYSA-N;123.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198084;MM198084;C=C(CN)C(=CC)OC;JPCGSMYKUNVYJJ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198085;MM198085;C=C(CN)C(=CF)OC;SNMGUHZGGZBCKQ-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198086;MM198086;C=C(CF)C(=CF)OC;QEKUGPBKNQLUSK-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198087;MM198087;CC=C(OC)C(=O)CC;LRACXPVVCHHCPQ-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198088;MM198088;COC(=CN)C(=O)CO;YAUWNRBRZBHKHW-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198089;MM198089;COC(=CN)C(=O)CF;QEJSKBXVMVBRHD-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198090;MM198090;CCC(=O)C(=CF)OC;JXLMZYZPJACEPW-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198091;MM198091;CCC1C=NN(C)C1=N;HOUJGKRIENEXAF-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198092;MM198092;C=C(OC)C(=CC)OC;VKPBWPWHBFCOBS-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198093;MM198093;C=C(OC)C(=CF)OC;SFUMNVCASHSCBI-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198094;MM198094;CC=C(OC)C(=O)OC;XDAOZDBTFSSMBW-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198095;MM198095;C=Cn1ccc(NO)n1;BHKZMLPUZBYJMR-UHFFFAOYSA-N;125.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198096;MM198096;C=C(CC)C(=NO)OC;XBMUMZPVXSJGMY-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198097;MM198097;CNC(=O)C(=NN)OC;WCRQFTHGBHAAEE-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198098;MM198098;COC(=NN)C(=O)NN;GQHHGGICVOXEKG-UHFFFAOYSA-N;132.12;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198099;MM198099;CNC(=O)C(=NO)OC;GSSYNJIXJVKXPQ-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198100;MM198100;COC(=NO)C(=O)NN;JORLTKRLXKJSBZ-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198101;MM198101;C=C(C#N)C(=CC)CC;GRPHJXLJMDWQTM-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198102;MM198102;C=CC(=C)C(=CF)CN;CIBVTQZTSUYZRD-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198103;MM198103;C=CC(=C)C(=CF)CF;PTIBEDOMWOYUJX-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198104;MM198104;C=C(C#N)C(=CF)CF;XTIKUZWBRSMIBJ-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198105;MM198105;CCC(=CF)C(=O)C#N;VNMXGQCQQTXNSE-UHFFFAOYSA-N;127.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198106;MM198106;CC=C(CO)C(=O)C=O;JUPFVLTWGKVMKT-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198107;MM198107;N#CC(=O)C(=CN)CO;DTSBYOUZSSWMPR-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198108;MM198108;O=CC(=O)C(=CF)CO;JBUKTPDNAICLDI-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198109;MM198109;C=CC(=O)C(=CC)CF;OZZCEGJGHHMRCS-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198110;MM198110;CC=C(CF)C(=O)C#N;NKLIPSWSZUYJBT-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198111;MM198111;NC=C(CF)C(=O)C=O;KELGQQBRRWJREY-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198112;MM198112;N#CC(=O)C(=CF)CF;YJBRDSUUDRQIFF-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198113;MM198113;C=C(C#N)C(CC)=NO;LSNSYVINIXEUGY-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198114;MM198114;CCc1nc(NC)n[nH]1;BMPHNPNFMOJDSW-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198115;MM198115;C=CC(=C)C(CF)=NN;CECYXXOFDNRQSK-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198116;MM198116;C=CC(=O)C(CC)=NO;BJQCILZOYVCFKT-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198117;MM198117;Nc1c(F)[nH]c(=O)oc1=O;CPCWWMUOKRWGIP-UHFFFAOYSA-N;146.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198118;MM198118;NC(CO)(CO)C(F)(F)F;XULJFPLUCAEYLN-UHFFFAOYSA-N;159.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198119;MM198119;C=C(C=O)C(=NO)NO;GYOPKCHGIOBQHI-UHFFFAOYSA-N;130.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198120;MM198120;C=CC(=O)C(=NO)NO;XLCLZNLRUGPEEE-UHFFFAOYSA-N;130.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198121;MM198121;C=C(C=O)C(=CC)OC;RXZASGONSMCHHR-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198122;MM198122;C=C(C=O)C(=CF)OC;ZTJSDXXKOFVPKC-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198123;MM198123;C=C(C#N)C(=CF)OC;JHJSTTKXCVDNIB-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198124;MM198124;C=CC(=O)C(=CC)OC;BENOHALTJUGRNA-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198125;MM198125;CC=C(OC)C(=O)C#N;UFRIHNMHVSOJEI-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198126;MM198126;CC(C)CNCC(=O)C#N;SWGNQFFFAYLHEF-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198127;MM198127;C=CC(=C)C(=NO)OC;GORQDBTYRKMQOV-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198128;MM198128;C#CC(=C)C(=CC)CC;UIQSGTJJFVZWOT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198129;MM198129;C#CC(=C)C(=CF)CN;ZIKFRVOSHTUJNX-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198130;MM198130;C#CC(=O)C(=CC)CC;AYRQQWHXUGPGDU-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198131;MM198131;C#CC(=O)C(=CN)CC;XDNUOHPCESYAQB-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198132;MM198132;C#CC(=O)C(=CN)CO;DGPACUDYDGJITF-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198133;MM198133;C#CC(=O)C(=CF)CO;RPRKBSGDQGZYCW-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198134;MM198134;C#CC(=O)C(=CF)CF;FDKIWFYNERPRRQ-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198135;MM198135;COc1noc(=O)[nH]1;ZPJYVEAFVANJEI-UHFFFAOYSA-N;116.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198136;MM198136;C#CC(=C)C(=CC)OC;JXFKJUOAULJXLI-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198137;MM198137;C#CC(=C)C(=CF)OC;ZOLZNLAKKLDJJR-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198138;MM198138;C#CC(=O)C(=CC)OC;SHBCLVZQUDBWHJ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198139;MM198139;C#CC(=O)C(=CF)OC;LJYYOAFXVYFKNA-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198140;MM198140;C=C(CNCC#N)NC=O;CSUJXVTVFCMCNR-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198141;MM198141;C=CC(=CC)C(=C)CF;DLRLLRMHYWMLKN-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198142;MM198142;C=CC(=CF)C(=C)CO;OVVZUCHWEZHIMH-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198143;MM198143;C=C(CO)C(C=O)=CC;ODPPQPOATIEOLD-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198144;MM198144;C=C(CO)C(C#N)=CC;GNEUTOACKNHHBZ-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198145;MM198145;C=C(CF)C(C#N)=CC;TXBYZJOUUCLHEN-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198146;MM198146;C=C(CF)C(C#N)=CN;HZKXUTOZXODGFY-UHFFFAOYSA-N;126.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198147;MM198147;C=C(CC)C(C=O)=CF;RIBGTXGNAORDCA-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198148;MM198148;C=C(CO)C(C#N)=CF;KYLJBPAROFGMDV-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198149;MM198149;C=CC(=CN)C(=O)CO;OUVDVZUJQDJALN-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198150;MM198150;C=CC(=CF)C(=O)CO;VPAVBFYCJCAUQK-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198151;MM198151;CC=C(C#N)C(=O)CO;XLHREHXJOGRXIH-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198152;MM198152;CC=C(C=O)C(=O)CF;BJMZIRUYHYSPAL-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198153;MM198153;N#CC(=CN)C(=O)CO;QIJQOHLDQFUGEO-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198154;MM198154;NC=C(C=O)C(=O)CF;NFGFGHGAGKBESH-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198155;MM198155;N#CC(=CN)C(=O)CF;DCBOJFZRYPACKF-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198156;MM198156;O=CC(=CF)C(=O)CO;GIOKYWBMQFYLPG-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198157;MM198157;N#CC(=CF)C(=O)CF;BSTRBAKYCYTUMU-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198158;MM198158;CN=C(N)C(C=O)=CN;OWGOWTMIMQHJLS-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198159;MM198159;C=CNC(=O)NCC=NN;MZRILFYWIWMRKB-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198160;MM198160;CON=C(N)C(F)C(N)=O;SGOINIXTORXMMJ-UHFFFAOYSA-N;149.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198161;MM198161;CNC(=O)C(C=O)=CN;CKVUBDANHVSWQF-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198162;MM198162;NC=C(C=O)C(=O)NO;HYZJDWGARRDTQS-UHFFFAOYSA-N;130.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198163;MM198163;C=C(OC)C(C=O)=CC;DMRCFRBWARUCLV-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198164;MM198164;C=CC(=CC)C(=O)OC;XPUNXNKNHHNDNC-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198165;MM198165;N=c1ncc(O)nc(=O)[nH]1;IPKRJUUQSJAITC-UHFFFAOYSA-N;140.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198166;MM198166;NC(=NO)C(C=O)=NO;FIVCZSOAMUZBIS-UHFFFAOYSA-N;131.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198167;MM198167;C=CC(=NN)C(=O)NO;JPJLQXSVGQCACC-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198168;MM198168;C=CC(=CC)C(=C)C=O;CZICEFHCWMPYAA-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198169;MM198169;C=CC(=CC)C(=C)C#N;NMEMYVCBLRPMNP-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198170;MM198170;C=CC(=CF)C(=C)C=O;AQNSYVBLUKVJBN-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198171;MM198171;C=CC(=C)C(C#N)=CC;STEPAKJJQRJHFY-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198172;MM198172;C=C(C=O)C(C#N)=CC;QDPBNCSJIMXFKE-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198173;MM198173;C=C(C#N)C(C=O)=CC;DLZUXWWSKKOHFJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198174;MM198174;C=C(C#N)C(C#N)=CC;PPSFSBOSVSIAKC-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198175;MM198175;C=C(C#N)C(C#N)=CN;ZBLKFLHDHRPEBI-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198176;MM198176;C=CC(=O)C(C#N)=CC;OGAUGZKXAVHOEJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198177;MM198177;C=CC(=O)C(C=O)=CN;GQHJQQAZWWRZJD-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198178;MM198178;C=CC(=NO)C(=O)C=O;XYGFZQIKTOARKD-UHFFFAOYSA-N;127.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198179;MM198179;Oc1oc(F)c(F)c1F;BBTHUVZZCHOYGF-UHFFFAOYSA-N;138.04;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198180;MM198180;C#CC(=C)C(C#N)=CC;OERCOMRIMAWCDB-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198181;MM198181;C#CC(=C)C(C#N)=CN;JXYPVIYKGNCMNF-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198182;MM198182;C#CC(=O)C(C=C)=CC;LOLGFLIWQFZFRG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198183;MM198183;C#CC(=C)C(C=O)=NO;SVASOUZTTKNVRZ-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198184;MM198184;C#CC(=CC)C(=C)CN;UWCKTUGAGOQLCN-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198185;MM198185;C#CC(=CN)C(=O)CC;ULFSZBCBEOJSRW-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198186;MM198186;C#CC(=CN)C(=O)CO;VXBIQLSPHXHXRX-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198187;MM198187;C#CC(=CF)C(=O)CO;REXHJXQGLCRJNX-UHFFFAOYSA-N;128.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198188;MM198188;C#CC(=CC)C(=O)NC;CFCGNCCOSSCYAU-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198189;MM198189;CC1(ON=CNN)CC1O;QYCQUJZFQQPAFB-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198190;MM198190;C#CC(=CN)C(=O)NO;IMVFNZILXOAOMS-UHFFFAOYSA-N;126.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198191;MM198191;C#CC(=CC)C(=O)OC;FSYWNISIGNAJJZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198192;MM198192;C#CC(=CF)C(=O)OC;KUIBVUYCFQGSNP-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198193;MM198193;C#CC(=NN)C(=C)CF;ZXQAVCIMVJZZIF-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198194;MM198194;C#CC(=NO)C(=C)CN;YTSXUQHTOVJMEY-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198195;MM198195;C#CC(=NO)C(=C)CF;USUSTSLDUKXQRM-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198196;MM198196;C#CC(=CC)C(=C)C=O;ANXIPQRKQJXKNY-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198197;MM198197;C#CC(=CC)C(=C)C#N;BKCNFKKLHVOQOX-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198198;MM198198;C#CC(=CF)C(=C)C#N;JZPCYWTXJRTONF-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198199;MM198199;C#CC(=CC)C(=O)C=C;CDHJAFIYQGKCMT-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198200;MM198200;C#CC(=CC)C(=O)C=O;GNDWURBGHGZASU-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198201;MM198201;C#CC(=CC)C(=O)C#N;ZRXDHVPVNJYYNJ-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198202;MM198202;C#CC(=NN)C(=C)C=C;DVXGFOMNGNZRSX-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198203;MM198203;C#CC(=C)C(C#C)=CC;SHOUYHGDBJGTJP-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198204;MM198204;C#CC(=O)C(C#C)=CC;KOJKCCKSIOOJPU-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198205;MM198205;C#CC(=O)C(C#C)=CF;WNJDNCXSYQQVSX-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198206;MM198206;CC=C(C)C(=CF)CN;SWHYOFWTYUYZEY-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198207;MM198207;CC(=CF)C(=CF)CF;GFVXEYLQFVQKFB-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198208;MM198208;CC=C(F)C(=CC)CN;XNZVBSMDYWPSEO-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198209;MM198209;CC=C(CN)C(F)=CF;ISRTXLMAZLFBNS-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198210;MM198210;CC=C(F)C(=CF)CN;GPIYZAXVCJCLAQ-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198211;MM198211;CC=C(CC)C(C)=NN;HEXPIHUKOGGXRG-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198212;MM198212;COCCC(O)C=NOC;PWTSAUREHRASRQ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198213;MM198213;C=NN=C(CO)N(C)OC;HEOJKAOWJXSEDM-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198214;MM198214;CC(=NO)C(=CF)CO;YILZJOWNQFHRTB-UHFFFAOYSA-N;133.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198215;MM198215;CC(=NN)C(=CF)CF;BHBLPXMVLMRRAN-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198216;MM198216;CCC(=NN)C(C)=CF;KDOMRMPKZSDNNP-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198217;MM198217;CON=C(CO)N(N)C=N;CMUGDJXTCDIGDW-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198218;MM198218;CCC(=NO)C(C)=CF;XZQDKKJUIAQINX-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198219;MM198219;CC=C(C)C(CF)=NN;NQFVJSGVEWSLEH-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198220;MM198220;CCC(=NN)C(F)=CN;ALKPYBYJSFHHNR-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198221;MM198221;CCC(=NO)C(F)=CN;IHZBXEPJVRDWNU-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198222;MM198222;CCON=C(CO)NOC;CKKVJZOVEWQXNH-UHFFFAOYSA-N;148.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198223;MM198223;CC(=NO)C(CO)=NN;OTKKPLBWUXRUMQ-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198224;MM198224;CN=C(NO)C(C)=CN;ZKPPEDCTKASQGU-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198225;MM198225;C=NNC(CO)=NOCC;XDWMTNQYBONSAZ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198226;MM198226;NN=CC(=CNC=O)CF;ZGQLYHNZKPBITK-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198227;MM198227;CC(O)C(=NN)C(=N)NO;SFDXPVWCDQJLCJ-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198228;MM198228;Nn1c(=O)c(CO)cn1O;XMVKJXDDQADZJX-UHFFFAOYSA-N;145.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198229;MM198229;CC(=CF)C(=NO)NO;MXLFXMOWMDYJRY-UHFFFAOYSA-N;134.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198230;MM198230;N=C(CO)n1ncc(=O)o1;SHMPIAMGMNGCJS-UHFFFAOYSA-N;143.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198231;MM198231;CC=C(F)C(=NO)NO;FKKBWAVTJHQDFI-UHFFFAOYSA-N;134.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198232;MM198232;CN=C(NO)N(C=O)C=O;IKYWFNCMVICQCA-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198233;MM198233;CC(=NN)C(=NO)NO;DZVWJKAQCFAVIB-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198234;MM198234;CC=C(OC)C(C)=NO;FEAUYIONSXJHDF-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198235;MM198235;COC(=CF)C(C)=NN;KBXVRAWFGSXTDB-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198236;MM198236;NN=C(CO)NOCCO;XAQNKQSEBQDOQZ-UHFFFAOYSA-N;149.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198237;MM198237;NN=C(C=CNC=O)NO;NADBLYVOUFLXLV-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198238;MM198238;CC=C(C)C(=NO)OC;JXAMGOVHHKBXPR-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198239;MM198239;OCCNN=C(CO)CO;NRTVDCTWVXFUEP-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198240;MM198240;CN=C(C#N)N(O)CCO;OBTRZQSFPQVUDS-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198241;MM198241;N#CC(=NO)C(CO)CO;FFBJZKFWOZGLCF-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198242;MM198242;CC(=CF)C(C=O)=CF;SZNQTSAWMXPOQK-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198243;MM198243;CC(=CF)C(C#N)=CF;XIVOVPMPFHYDLM-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198244;MM198244;N#CC(=CN)C(F)=CF;KZLQULUCLSUBPK-UHFFFAOYSA-N;130.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198245;MM198245;C=CC(=CC)C(C)=NN;NGEFMHJAIDXACW-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198246;MM198246;CC(=NO)C(C#N)=CN;TXOBJNWIEHKWGB-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198247;MM198247;C=COc1cc(O)no1;AJFPPNJZCFXSEO-UHFFFAOYSA-N;127.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198248;MM198248;C#CC(=CC)C(C)=CF;HTFCUMNDAZUXMT-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198249;MM198249;C#CC(=CF)C(C)=CC;LYUMECZKKDVZNV-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198250;MM198250;C#CC(=CF)C(C)=CF;HIBMTDQRBTZVEJ-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198251;MM198251;C#CC(=CC)C(F)=CC;RKEVCSACPXKOAH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198252;MM198252;C#CC(=CC)C(F)=CF;FWQMOIAUUQXZHN-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198253;MM198253;C#CC(=CC)C(C)=NO;WQDRRBRSRAANCP-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198254;MM198254;C#CC(=NN)C(F)=CF;JBZQXXIKZXTRLU-UHFFFAOYSA-N;130.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198255;MM198255;Nc1nnnn1O;PVJQOIQULGOFKX-UHFFFAOYSA-N;101.07;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198256;MM198256;CCC(CF)=C(C)CO;QHFPAEFCIJQNKA-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198257;MM198257;CCC(CF)=C(C)CF;ORLBAPKHPHLITB-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198258;MM198258;CC(CF)=C(CN)CO;LLVRUQCJULIUQN-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198259;MM198259;CC(CO)=C(CN)CF;FMKZKVQQUWVFIB-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198260;MM198260;CC(CO)=C(CO)CO;MJJHGOHXHLSVLJ-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198261;MM198261;CCC(C)=C(CF)CF;AWCJWPQPFZHPKE-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198262;MM198262;CC(CF)=C(CF)CF;HEFVODJTFMQVEG-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198263;MM198263;CCC(CC)=C(F)CO;IAMVOHJCKTWACP-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198264;MM198264;CCC(F)=C(CC)CN;WOHRJKSNYGTWNC-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198265;MM198265;CCC(CN)=C(F)CN;BGJCEKRSWMRXGL-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198266;MM198266;CCC(CN)=C(F)CF;NABOGVXNPLPYHB-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198267;MM198267;CCC(F)=C(CN)CN;OYQHKNBBTJYOBJ-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198268;MM198268;CCC(F)=C(CN)CF;IHMVBBMTUPUWTO-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198269;MM198269;OCC(CO)=C(F)CF;AXVJOYNSGANJAW-UHFFFAOYSA-N;138.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198270;MM198270;COC(C)=C(CO)CF;HQTNVABRHNGFDW-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198271;MM198271;CCC(C)=C(CO)OC;NVQVOUIUFIVBQQ-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198272;MM198272;COC(CF)=C(C)CO;JKVQPRHGMVUXEY-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198273;MM198273;CCC(F)=C(CN)OC;LMDRCIJQGRDGNT-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198274;MM198274;COC(CN)=C(F)CN;NZRKMDZOOWQNAR-UHFFFAOYSA-N;134.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198275;MM198275;COC(CF)=C(F)CF;MKMMPRHZRKHJQT-UHFFFAOYSA-N;140.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198276;MM198276;COC(C)=C(CF)OC;AQIQHJVZYWCGHC-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198277;MM198277;CCC(CO)=C(C)C=O;QAPQSUOTXIGPHO-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198278;MM198278;C=CC(C)=C(CN)CF;ABCDTJZTNQOWDQ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198279;MM198279;CC(C=O)=C(CO)CF;FNGZBRFZTBFBAX-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198280;MM198280;C=CC(C)=C(CF)CF;ODLCYPRVUDLQAX-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198281;MM198281;CC(C=O)=C(CF)CF;KKWOLVNIBYIUKK-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198282;MM198282;CCC(CC)=C(F)C=O;QVJPFMYKJGYOAE-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198283;MM198283;CCC(CC)=C(F)C#N;BTLOQFPSXLAGKX-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198284;MM198284;C=CC(F)=C(CC)CN;JFTHFSZKDLXINU-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198285;MM198285;C=CC(F)=C(CN)CN;RRMWCZDSZHIDRW-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198286;MM198286;C=CC(F)=C(CN)CF;QODMOWSCDCSXPR-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198287;MM198287;O=CC(F)=C(CO)CO;ZLWHFHQJNVLHFV-UHFFFAOYSA-N;134.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198288;MM198288;CC=Cn1ccc(NO)n1;GGYUTNZQQFELJM-UHFFFAOYSA-N;139.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198289;MM198289;CNC(CO)=C(F)C=O;SVLYYFKJIJUIGN-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198290;MM198290;CCC(OC)=C(C)C=O;NHTQYKYIWKRUEP-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198291;MM198291;CCC(OC)=C(C)C#N;YOYCLCYDWBZCBS-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198292;MM198292;C=CC(C)=C(CO)OC;CIBBMISCJWXYKG-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198293;MM198293;COC(CF)=C(C)C#N;AFVKXBKKFNPGPB-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198294;MM198294;CCC(OC)=C(F)C=O;IQKQXMTYBAHWAG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198295;MM198295;C=CC(F)=C(CN)OC;UJPCZPFEJBIBOT-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198296;MM198296;C=CC(F)=C(CO)OC;PRQNJEWPJNZMNH-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198297;MM198297;COC(CO)=C(F)C=O;GDPAIDQYXGBPTL-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198298;MM198298;C=CC(F)=C(CF)OC;KYEILHGIUKFNSY-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198299;MM198299;COC(CF)=C(F)C#N;CJINLBVJYYGOPZ-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198300;MM198300;CNC(NC)=C(C)C=O;VWXXYOAPZONZEZ-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198301;MM198301;CNC(OC)=C(C)C#N;BTJSCUGMUPWLDX-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198302;MM198302;CNC(OC)=C(F)C#N;GSYJGFYDTOPLTD-UHFFFAOYSA-N;130.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198303;MM198303;C#CC(C)=C(CC)CN;WIHYRUPPIOSSCS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198304;MM198304;C#CC(C)=C(CN)CN;CWTFXQXRCBBCAT-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198305;MM198305;C#CC(C)=C(CN)CO;UGIDHDDVZQDZPX-UHFFFAOYSA-N;125.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198306;MM198306;C#CC(C)=C(CO)CF;CZJGNWNPQCCJIP-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198307;MM198307;C#CC(F)=C(CN)CF;NXSBYVJYZQADGA-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198308;MM198308;C#CC(C)=C(CC)OC;QJNKZBDYXZLEAZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198309;MM198309;C#CC(F)=C(CC)OC;XDUMDIQYAHALJG-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198310;MM198310;C#CC(F)=C(CF)OC;GDYGIAFRGJFPOC-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198311;MM198311;CCC(C#N)=C(C)CF;JIDZLQIAZLTNHR-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198312;MM198312;C=CC(CN)=C(C)CN;ZPLNYABMZICSRX-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198313;MM198313;C=CC(CN)=C(C)CO;MZQOOUXUFQZHEF-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198314;MM198314;C=CC(CN)=C(C)CF;MAJZEZWMBZFVNS-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198315;MM198315;CC(CO)=C(C=O)CO;GZPPCLPJQRITSR-UHFFFAOYSA-N;130.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198316;MM198316;CC(CO)=C(C#N)CO;RZOSEEARDCPKCF-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198317;MM198317;CC(CO)=C(C=O)CF;IYEGMBHOQPNHGL-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198318;MM198318;CC(CO)=C(C#N)CF;TUTXTYDDNKTICP-UHFFFAOYSA-N;129.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198319;MM198319;CC(CF)=C(C=O)CF;PQJCPYKAPHFMGU-UHFFFAOYSA-N;134.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198320;MM198320;CCC(C=O)=C(N)CO;YFPSXCFVPAIFTO-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198321;MM198321;CCC(N)=C(C=O)CO;NGWPPQPDGBCDLL-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198322;MM198322;NC(CO)=C(C=O)CO;DHRMUPSFBLOOFD-UHFFFAOYSA-N;131.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198323;MM198323;NC(CF)=C(C=O)CO;OGUOESOPXTZFQC-UHFFFAOYSA-N;133.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198324;MM198324;C#CC1=CC(=NN)CC1O;ZAOJKTPUWNIIAY-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198325;MM198325;CCC(N)=C(C#N)CF;RBHADAVEBVMWPW-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198326;MM198326;CC1C2CC3(O)C(C)C3N12;CVDKYSIVPPZGOK-UHFFFAOYSA-N;139.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198327;MM198327;NC(CF)=C(C=O)CF;LEEQRVNTQBKGTQ-UHFFFAOYSA-N;135.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198328;MM198328;N#CC(CF)=C(N)CF;YZJZBPYSROGEJD-UHFFFAOYSA-N;132.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198329;MM198329;C=CC(CC)=C(F)CO;XOYYPQCJXTUCNQ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198330;MM198330;CCC(C=O)=C(F)CO;MLSYCWNAETUIMH-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198331;MM198331;C=CC(CN)=C(F)CC;DFWZHEMJBXMWKQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198332;MM198332;C=CC(CN)=C(F)CF;FSNRZLMJYSOVSN-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198333;MM198333;C=CC(CO)=C(F)CF;QSHLVUVCMMRROM-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198334;MM198334;CCC(F)=C(C#N)CO;WGLORVDXJXTZOO-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198335;MM198335;O=CC(CO)=C(F)CO;KXWXAOYGSKAYCC-UHFFFAOYSA-N;134.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198336;MM198336;CNC(C)=C(C=O)CO;DELUDQDTFOHBDQ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198337;MM198337;CNc1ncco1;YWXMEOHQQJWIOZ-UHFFFAOYSA-N;98.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198338;MM198338;CNC(C)=C(C#N)CF;CINYEXCAGPUMBT-UHFFFAOYSA-N;128.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198339;MM198339;C=CC(CN)=C(C)OC;CXNYCGZRACQVLS-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198340;MM198340;CCC(C#N)=C(N)OC;WSYACZYCLFHUTP-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198341;MM198341;COC(N)=C(C=O)CF;RPZWRTNVWPZERB-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198342;MM198342;C=CC(OC)=C(C)CO;NQTZKHLKPOBFLM-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198343;MM198343;CCC(C)=C(C#N)OC;YWSLAOHDPIHSDO-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198344;MM198344;CCC(N)=C(C=O)OC;HDSGWVLPQRKFGV-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198345;MM198345;COC(C=O)=C(N)CO;MCMMZGWDKRCTFG-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198346;MM198346;COC(C=O)=C(N)CF;BADYYXVKOYNQDA-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198347;MM198347;C=CC(OC)=C(F)CO;FXPNJNKXXNFZTE-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198348;MM198348;CCC(F)=C(C=O)OC;SAPYBNXFTAEGNU-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198349;MM198349;CCC(F)=C(C#N)OC;WNIXUANEWCMLPL-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198350;MM198350;COC(C=O)=C(F)CO;DTISXYQOIPPPHG-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198351;MM198351;COC(C#N)=C(F)CF;LSFJIZRDCFYIHY-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198352;MM198352;CNC(C)=C(C=O)OC;HICZFWKFZSWPQF-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198353;MM198353;COC(C)=C(C=O)OC;GDOFFKQPNFMDIH-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198354;MM198354;C=CC(CC)=C(C)C=O;BTYJOPJECLBHFL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198355;MM198355;C=CC(CO)=C(C)C#N;WNEJHJSGIBSBMN-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198356;MM198356;CC(C=O)=C(C=O)CO;DXQKSHPIOFIZGO-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198357;MM198357;CC(C#N)=C(C#N)CO;BIJOUMLOVLVCFM-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198358;MM198358;C=CC(C)=C(C=O)CF;ICTHDLWHAFUOAX-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198359;MM198359;CC(C=O)=C(C#N)CF;YOQUNHQXGNPMGX-UHFFFAOYSA-N;127.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198360;MM198360;C=CC(N)=C(C=O)CO;SDRLWNDHUPIZPJ-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198361;MM198361;N#CC(N)=C(C=O)CO;RXVJZGGDGPZUCT-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198362;MM198362;N#CC(CO)=C(N)C=O;HJMGMVBJAHKTKI-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198363;MM198363;C=CC(N)=C(C#N)CF;LTJTZWDMPQAIOW-UHFFFAOYSA-N;126.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198364;MM198364;N#CC(N)=C(C=O)CF;BBDMHQPSDVZILU-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198365;MM198365;N#CC(CF)=C(N)C=O;PMAXNGWIIRFZQO-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198366;MM198366;C=CC(F)=C(C#N)CC;MMCLCTFHFHIGAT-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198367;MM198367;C=CC(F)=C(C=C)CN;SHAGAFXAUUPPMG-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198368;MM198368;C=CC(F)=C(C#N)CO;MENIZGFZALCBHH-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198369;MM198369;O=CC(F)=C(C=O)CO;UVISDKKMZRMPDY-UHFFFAOYSA-N;132.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198370;MM198370;N#CC(CO)=C(F)C=O;UYTXNPWHOPSINP-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198371;MM198371;C=CC(CF)=C(F)C=O;JRMAHVAYUKVUPG-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198372;MM198372;C=CC(F)=C(C=O)CF;BWIYFWYORRIXIL-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198373;MM198373;N#CC(CF)=C(F)C=O;GJLKOWLXJURBSO-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198374;MM198374;CNC(C=O)=C(N)C=O;MXTQTULHTSCWBT-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198375;MM198375;C=CC(C)=C(C=C)OC;OZEQLGVZJYDQAO-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198376;MM198376;C=CC(OC)=C(C)C#N;IJLUWCGCPLYJEO-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198377;MM198377;C=CC(C)=C(C=O)OC;RZBDKEAZKQDDDQ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198378;MM198378;C=CC(C)=C(C#N)OC;YZJDLDVEYUEXGO-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198379;MM198379;C=CC(N)=C(C#N)OC;WQGFPDOVGHMTIV-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198380;MM198380;C=CC(F)=C(C=C)OC;VIEVFLCEPOGROH-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198381;MM198381;C=CC(OC)=C(F)C=O;GNICPHNQKLCRCP-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198382;MM198382;C=CC(OC)=C(F)C#N;KQOOIBKHUUDSRV-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198383;MM198383;C=CC(F)=C(C=O)OC;JCQZGOXEAXDSNV-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198384;MM198384;C=CC(F)=C(C#N)OC;JOXAQGRAFYJBFD-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198385;MM198385;COC(C=O)=C(F)C#N;WJTGWXBGTHAXFU-UHFFFAOYSA-N;129.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198386;MM198386;COC(C#N)=C(F)C#N;CMBPCLMYGBABFI-UHFFFAOYSA-N;126.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198387;MM198387;N=CN1CC(F)C1=O;PDTFFXDMGTWJGW-UHFFFAOYSA-N;116.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198388;MM198388;C#CC(C)=C(C=O)CO;RLVGPZQJMCUJML-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198389;MM198389;C#CC(N)=C(C=O)CC;GRWQEETZGXOBAQ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198390;MM198390;N=C(N)C(=O)C(F)CO;XZQHSEQENMUQRC-UHFFFAOYSA-N;134.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198391;MM198391;C#CC(F)=C(C=C)CC;XDJIFXAIJBOEEK-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198392;MM198392;C#CC(C)=C(C=C)OC;QKCKOEXFCXQIJZ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198393;MM198393;C#CC(N)=C(C#N)OC;GZWKDJALIOWGFR-UHFFFAOYSA-N;122.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198394;MM198394;C#CC(F)=C(C=C)OC;HSVPKWPDQGUZLR-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198395;MM198395;C#CC(F)=C(C=O)OC;UDAKQYFGCDTITL-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198396;MM198396;C#CC(CC)=C(C)CC;ABAFEDXJIUUVBL-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198397;MM198397;C#CC(CO)=C(C)CC;GCOHANDQHTYLNW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198398;MM198398;C#CC(CO)=C(C)CF;GCGPMNGGKBGBGI-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198399;MM198399;C#CC(CF)=C(C)CO;BCCQZHCWFXRDMG-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198400;MM198400;C#CC(CN)=C(F)CN;NKNDLMYIDUOHGZ-UHFFFAOYSA-N;128.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198401;MM198401;C#CC(CO)=C(F)CC;BWRXWQMZVZMHDC-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198402;MM198402;C#CC(OC)=C(C)CC;ODQLVZNVRHHCDE-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198403;MM198403;C#CC(OC)=C(C)CO;QXJCXUTVFOTITB-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198404;MM198404;C#CC(OC)=C(F)CC;UVHXSKJKNRSUAJ-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198405;MM198405;C#CC(OC)=C(F)CF;NPEKXSULAVTZPA-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198406;MM198406;C#CC(OC)=C(C)OC;FXVODMQBKQAOBO-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198407;MM198407;C#CC(CC)=C(C)C#N;UMKXBLXUAXVDGN-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198408;MM198408;C#CC(CO)=C(C)C=C;UDTFLBRZVDFBTN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198409;MM198409;C#CC(CO)=C(C)C=O;VXOITCKKGSCFQC-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198410;MM198410;C#CC(CC)=C(F)C=C;CNVRTIOBLPWBRH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198411;MM198411;C#CC(CC)=C(F)C#N;HXSYECCLJHQTBL-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198412;MM198412;C#CC(CO)=C(F)C=C;RMCPZDVFOJKANB-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198413;MM198413;C#CC(CF)=C(F)C=O;UEHZENQMEAVDIZ-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198414;MM198414;C#CC(NC)=C(C)C=O;JSCWXAKVWMTPMM-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198415;MM198415;C#CC(NC)=C(C)C#N;LQAXEPSCPQRFNR-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198416;MM198416;C#CC(NC)=C(F)C#N;NGRYKRWKRKLYKE-UHFFFAOYSA-N;124.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198417;MM198417;C#CC(OC)=C(C)C=C;LIYQLUDRROOEEF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198418;MM198418;C#CC(OC)=C(C)C=O;XQBBJCSBTXJIBV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198419;MM198419;C#CC(OC)=C(C)C#N;RTJXTJRVMUPZMH-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198420;MM198420;C#CC(OC)=C(F)C=C;SHNZTXBOZMAUGZ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198421;MM198421;C#CC(OC)=C(F)C=O;XMPQXEIHBDRLPS-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198422;MM198422;C#CC(F)=C(C#C)CC;ZQBIIMMXAJFBQY-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198423;MM198423;C#CC(C)=C(C#C)OC;ZNMQWCUEKRXQEK-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198424;MM198424;C#CC(F)=C(C#C)OC;WAPAOKMUHTTYKD-UHFFFAOYSA-N;124.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198425;MM198425;C=CC(C=C)=C(C)CF;ZABDXJHBSCUQQO-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198426;MM198426;C=CC(C=O)=C(C)CF;NZQABHWADWMKAL-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198427;MM198427;NC(CO)=C(C=O)C=O;VIPZRFBOLWTDHI-UHFFFAOYSA-N;129.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198428;MM198428;N#CC(C=O)=C(N)CO;LKVOAEVUQBDONL-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198429;MM198429;NC(CF)=C(C=O)C=O;OWJDHHSNJFDZET-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198430;MM198430;N#CC(C=O)=C(N)CF;YQIZALIRONUAOD-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198431;MM198431;C=CC(C#N)=C(F)CF;BBZRXNUOOPAOGJ-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198432;MM198432;N#CC(C=O)=C(F)CO;BOFNRMWVCAMQJI-UHFFFAOYSA-N;129.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198433;MM198433;N#CC(C=O)=C(F)CF;SXQYWRXGLJUUSE-UHFFFAOYSA-N;131.08;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198434;MM198434;N#CC(C#N)=C(F)CF;HQZUVTYEKMOJCQ-UHFFFAOYSA-N;128.08;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198435;MM198435;C=CC(C=O)=C(N)NC;AQZAQVCKALPFLO-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198436;MM198436;COC(N)=C(C#N)C=O;NKXKWSSVBCFRLU-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198437;MM198437;C=CC(C)=C(C#N)C=C;RDDMUKMIUDFXDS-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198438;MM198438;C=CC(C#N)=C(C)C#N;GNSTZVTWAKTMRX-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198439;MM198439;CC(C=O)=C(C=O)C=O;GRPDMWVHOCOVNQ-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198440;MM198440;C=NOC(C)C(O)CC;QUZGPLNTZRQTPJ-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198441;MM198441;C=CC(N)=C(C#N)C#N;XTGHKMXDVQPDOZ-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198442;MM198442;C=CC(C=C)=C(F)C#N;PWHPEEFIXLBPCT-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198443;MM198443;C=CC(C#N)=C(F)C=O;DXXLQEYHHWPZBT-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198444;MM198444;C=CC(C#N)=C(F)C#N;XXAMIFNATDPKJN-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198445;MM198445;C=CC(F)=C(C#N)C=O;BRBSQLKATUKCLG-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198446;MM198446;C=CC(F)=C(C#N)C#N;OBHLOLFHUKGLKV-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198447;MM198447;C#CC(C)=C(C#N)C=O;PJMPFTQFBAGOAF-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198448;MM198448;C#CC(N)=C(C#N)C=O;GWULBPFZEGAFPR-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198449;MM198449;C#CC(F)=C(C#N)C=C;YWNVYCMOEUBTTI-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198450;MM198450;C#CC(F)=C(C#N)C=O;YMMDRNODEIIBAJ-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198451;MM198451;C#CC(F)=C(C#N)C#N;NQOGVRYEAYWKRG-UHFFFAOYSA-N;120.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198452;MM198452;C#CC(C=C)=C(C)CO;HEBYTKZQKNJXNN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198453;MM198453;C#CC(C=O)=C(C)CO;XJRQFPKKBNTJOB-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198454;MM198454;C#CC(C=O)=C(C)CF;IERZCQPNUSJRIC-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198455;MM198455;C#CC(C#N)=C(N)CC;FZMIVPLEIDMJCT-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198456;MM198456;CC1NN(C=O)CC1O;UXAPCTDFXMWSPS-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198457;MM198457;C#CC(C=C)=C(F)CF;OHTYYCAEALMTEV-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198458;MM198458;C#CC(C#N)=C(F)CF;JJWYOJIGNXSSCC-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198459;MM198459;C#CC(C#N)=C(C)NC;KDURTLPVJJBJSV-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198460;MM198460;C#CC(C=O)=C(C)OC;AASVDDFZAGBEAH-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198461;MM198461;C#CC(C#N)=C(C)OC;VIJQFLVDNVVDSV-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198462;MM198462;C#CC(C=C)=C(C)C=C;GTADXIZVWOCIGU-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198463;MM198463;C#CC(C=C)=C(C)C=O;OKKYONSSYYGERT-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198464;MM198464;C#CC(C=C)=C(C)C#N;HUVSDMJLLNHPSX-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198465;MM198465;C#CC(C=O)=C(C)C=C;RQYJJVDIMDJEGG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198466;MM198466;C#CC(C=O)=C(C)C#N;FHWQTUUXIUZXCV-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198467;MM198467;C#CC(C#N)=C(C)C=O;FYKHRZOIFBXTMT-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198468;MM198468;C#CC(C=O)=C(N)C=C;BMWVHDYTRJTUAJ-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198469;MM198469;C#CC(C#N)=C(N)C=C;SPOUKERBTWRBOE-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198470;MM198470;C#CC(C=O)=C(N)C#N;MZDPZRAGPIBQFM-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198471;MM198471;C#CC(C=C)=C(F)C=O;QRVWLRIUCRZCNU-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198472;MM198472;C#CC(C#N)=C(F)C=C;QRHXHSQZMOAAGQ-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198473;MM198473;C#CC(C=O)=C(F)C#N;YBRONJRYCBBPGV-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198474;MM198474;C#CC(C#N)=C(F)C#N;HMFXNLMOTRQCJL-UHFFFAOYSA-N;120.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198475;MM198475;C#CC(C)=C(C#C)C=C;GRXJQLAGDQYHQZ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198476;MM198476;C#CC(C)=C(C#C)C=O;DDOABTPWMKHZDB-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198477;MM198477;C#CC(F)=C(C#C)C=O;USETWKOWFLPCAE-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198478;MM198478;C#CC(F)=C(C#C)C#N;SLANABLSSBFPJX-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198479;MM198479;C#CC(C#C)=C(C)CC;IUSMYCQOWMVSRQ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198480;MM198480;C#CC(C#C)=C(F)CC;ARVMEGYSOWUCFH-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198481;MM198481;C#CC(C#C)=C(F)CF;ZPKNDWSLZUBXCL-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198482;MM198482;C#CC(C#C)=C(C)OC;NETXARRAJSZYLC-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198483;MM198483;C#CC(C#C)=C(C)C=O;HNHXCQHGKFJFOT-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198484;MM198484;C#CC(C#C)=C(F)C=C;VKIBUOMUWLEUNI-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198485;MM198485;C#CC(C#C)=C(F)C#N;ZTARVJWALRKGOP-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198486;MM198486;C#CC(C)=C(C#C)C#C;GFOFWAWHVUJTLJ-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198487;MM198487;C#CC(F)=C(C#C)C#C;HTQPGGCDOPWCLN-UHFFFAOYSA-N;118.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198488;MM198488;CCCCC(CC)CC;PSVQKOKKLWHNRP-UHFFFAOYSA-N;128.26;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198489;MM198489;CCC(CC)CCCN;PBRXWVWVEZDPSE-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198490;MM198490;CCC(CC)CCCO;RLGDVTUGYZAYIX-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198491;MM198491;CCC(CC)CCCF;WYNUTMVHHSGCNK-UHFFFAOYSA-N;132.22;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198492;MM198492;CCCCC(CC)CN;LTHNHFOGQMKPOV-UHFFFAOYSA-N;129.25;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198493;MM198493;CCC(CN)CCCN;BFPMYXWMGMEKDL-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198494;MM198494;CCC(CN)CCCO;IDXIXYNVDFTUCJ-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198495;MM198495;CCC(CN)CCCF;DBHSFWFDZZMKLU-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198496;MM198496;Nc1cc(NO)nn1N;XKTLCOCEOWWSDX-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198497;MM198497;CCC(CO)CCCN;HXUQGJZBYIZODA-UHFFFAOYSA-N;131.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198498;MM198498;C=NN=C1CNC(C)=N1;LZTHOPIDDMSDCT-UHFFFAOYSA-N;124.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198499;MM198499;C=C1N(O)C=NN1C=N;ZMEFCXKUHDHOAQ-UHFFFAOYSA-N;126.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198500;MM198500;CCC(CF)CCCN;WBYGCRAMXBMIPM-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198501;MM198501;CCC(CF)CCCF;PZQXDAFTISFRLZ-UHFFFAOYSA-N;136.19;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198502;MM198502;CCCCC(CN)CN;BPCDZYHKSMRSLB-UHFFFAOYSA-N;130.24;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198503;MM198503;NCCCC(CN)CN;YCTDFXJXMMLHJY-UHFFFAOYSA-N;131.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198504;MM198504;CCCCC(CN)CF;BVMJQULAZLJPAM-UHFFFAOYSA-N;133.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198505;MM198505;CCCCC(CO)CO;SIMYRXPCIUXDGR-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198506;MM198506;NCCCC(CO)CO;ALFVYOCDIWKQRY-UHFFFAOYSA-N;133.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198507;MM198507;OCCCC(CO)CO;QZSPXPXMJSVFSC-UHFFFAOYSA-N;134.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198508;MM198508;CCCCC(CO)CF;LSABVKALESYJNQ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198509;MM198509;CCC(CC)CCNC;SYIVGSVODIOXBK-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198510;MM198510;CCC(CN)CCNC;NSBAGTLXCXOJQB-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198511;MM198511;CCC(CO)CCNC;SEQRMDBRYIGQDX-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198512;MM198512;CCC(CF)CCNC;WWSAOPBMRWEKIS-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198513;MM198513;CNCCC(CN)CN;QXAAGVHNYQLNER-UHFFFAOYSA-N;131.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198514;MM198514;CNCCC(CO)CO;MSASNHNDNYVHAH-UHFFFAOYSA-N;133.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198515;MM198515;CCC(CC)CCOC;QSYITQAIIIJYQU-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198516;MM198516;CCC(CN)CCOC;KDOYXWFDZLFTML-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198517;MM198517;CCC(CO)CCOC;VGMZKGQEDDMUDG-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198518;MM198518;COCCC(CN)CN;AVSVDTNMPWWGSK-UHFFFAOYSA-N;132.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198519;MM198519;CCC(CCCN)NC;XFWALSLPHNFPSJ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198520;MM198520;CCC(CCCO)NC;NPBLVTHVFCESCD-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198521;MM198521;CCC(CCCF)NC;ZPZXLZSXGXGRSW-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198522;MM198522;CCCCC(CN)NC;IKFAJGBYDPMVOF-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198523;MM198523;CNC(CN)CCCN;JUVINXQJHKQQLE-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198524;MM198524;CNC(CN)CCCO;QBZYRSGKGIAAQC-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198525;MM198525;CNC(CN)CCCF;LQKJHSDNIQZUJY-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198526;MM198526;CNC(CO)CCCN;UJNXPAIJBQHUEA-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198527;MM198527;CCCCC(CF)NC;BKYVIAKZPXFPRE-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198528;MM198528;CCC(CCNC)NC;CPNXYOPFFSDXLP-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198529;MM198529;CNCCC(CN)NC;LZVRVGISPAZIKR-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198530;MM198530;CNCCC(CO)NC;NLWMZLCRDOZLLO-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198531;MM198531;CCC(CCOC)NC;QMBVZAALVRYXAN-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198532;MM198532;CCC(CCCN)OC;BBQDKTFCUZDTRH-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198533;MM198533;CCC(CCCO)OC;GMWNKSAZTATRIB-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198534;MM198534;CCC(CCCF)OC;CIFUKVGDODQGDJ-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198535;MM198535;CCCCC(CO)OC;UQQVBJKORUYXHY-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198536;MM198536;CNCCC(CO)OC;BHXRTHILNSSFIY-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198537;MM198537;CCC(CCOC)OC;WERHHOOQFVGNEF-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198538;MM198538;COCCC(CN)OC;PGMCAHJHSPCEJH-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198539;MM198539;COCCC(CO)OC;OXWBIQGAHZLXDR-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198540;MM198540;CCCCC(OC)OC;VMOZJXZMOQSSMH-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198541;MM198541;CCNCC(CC)CC;NXFDPMAUXFRFLK-UHFFFAOYSA-N;129.25;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198542;MM198542;CCNCC(CC)CN;QWQXHFSVTAIHHL-UHFFFAOYSA-N;130.24;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198543;MM198543;CCNCC(CC)CO;XARRHJBPQOAOFK-UHFFFAOYSA-N;131.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198544;MM198544;CCNCC(CC)CF;UBRSSZOERQUJLF-UHFFFAOYSA-N;133.21;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198545;MM198545;CCNCC(CN)CN;JPQQUGZPMIWLMQ-UHFFFAOYSA-N;131.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198546;MM198546;CCNCC(CN)CO;JMSIKNIDOGMGHN-UHFFFAOYSA-N;132.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198547;MM198547;CCNCC(CN)CF;UWXSOZBKJQOAGS-UHFFFAOYSA-N;134.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198548;MM198548;CCNCC(CF)CF;UYZUKWNTWCWIBQ-UHFFFAOYSA-N;137.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198549;MM198549;CCNCC(CC)NC;ZZDIKEAXDCEXMV-UHFFFAOYSA-N;130.24;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198550;MM198550;CCNCC(CN)NC;GTAITWDMKOEVGQ-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198551;MM198551;CCNCC(CO)NC;FZDFYBGVEVMDOW-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198552;MM198552;CCNCC(CC)OC;GOSQBQILTDVSMW-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198553;MM198553;CCNCC(CO)OC;ZZGHMKZOJQJCJO-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198554;MM198554;CCOCC(CC)CC;DLCGKYWLUYXRNM-UHFFFAOYSA-N;130.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198555;MM198555;CCOCC(CC)CN;JJLTXHOAAUHBBT-UHFFFAOYSA-N;131.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198556;MM198556;CCOCC(CC)CO;DBEOOJIIYDYOAZ-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198557;MM198557;CCOCC(CN)CN;OOSFNKAPFRICCH-UHFFFAOYSA-N;132.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198558;MM198558;CCOCC(CF)CF;QZHORCHNJQJKQA-UHFFFAOYSA-N;138.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198559;MM198559;CCOCC(CC)NC;RPVFLZXAUSXLML-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198560;MM198560;CCOCC(CO)NC;LKSUHRPLXBSLKF-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198561;MM198561;CCOCC(CC)OC;NZJYFOKNVCMRKO-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198562;MM198562;CCOCC(CO)OC;GVGLNRZYMQEBJH-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198563;MM198563;CCCNC(CC)CC;QLEKHMZVJVKWQZ-UHFFFAOYSA-N;129.25;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198564;MM198564;CCC(CC)NCCN;JWRIBBHPRWTITQ-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198565;MM198565;CCC(CC)NCCO;OJHNDOBCWQCFOH-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198566;MM198566;CCC(CC)NCCF;JSROWBMUCNBVOG-UHFFFAOYSA-N;133.21;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198567;MM198567;CCCNC(CC)CN;JGJSEPQLNZCWLE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198568;MM198568;CCC(CN)NCCN;KJOBTNSJNXMGDV-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198569;MM198569;CCC(CN)NCCO;XDMQJHJBGCNMTJ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198570;MM198570;CCC(CN)NCCF;KSWSUFJBIDCGBR-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198571;MM198571;CCCNC(CC)CO;PIDHBZKDYHQUAF-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198572;MM198572;CCC(CO)NCCO;HXBOYELRKUDYQB-UHFFFAOYSA-N;133.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198573;MM198573;CCCNC(CN)CN;LNGMRRMUJBUPOV-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198574;MM198574;NCC(CN)NCCO;YQPNEJKABYBKBU-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198575;MM198575;NCC(CN)NCCF;LZKNHAQRQVMDBM-UHFFFAOYSA-N;135.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198576;MM198576;NCCNC(CN)CO;WFWOTPGQSKAPHO-UHFFFAOYSA-N;133.2;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198577;MM198577;NCC(CO)NCCO;TZIZMCLLUMZSHP-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198578;MM198578;NCC(CO)NCCF;RFLZMRAOMIPJFJ-UHFFFAOYSA-N;136.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198579;MM198579;NCC(CF)NCCF;QAAHLWCXPALQEX-UHFFFAOYSA-N;138.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198580;MM198580;NCCNC(CO)CO;ZMFNRPROKZYVLG-UHFFFAOYSA-N;134.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198581;MM198581;OCCNC(CO)CO;BBDPCGFBRYRHQN-UHFFFAOYSA-N;135.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198582;MM198582;CCCOC(CC)CC;WAXRRCGSZKTGDT-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198583;MM198583;CCC(CC)OCCN;FYJGWDINVJHXPN-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198584;MM198584;CCC(CC)OCCO;MZXGXWPUTAHLFU-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198585;MM198585;CCC(CC)OCCF;LOLQXRAVQHBGBM-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198586;MM198586;CCCOC(CC)CN;PZXFAZGXLLWXPL-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198587;MM198587;CCC(CN)OCCN;AGOIDNVEJWEPSK-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198588;MM198588;CCC(CN)OCCO;BOYBWTSSSFBVEH-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198589;MM198589;CCCOC(CC)CO;DMGHGPMEWIGQDR-UHFFFAOYSA-N;132.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198590;MM198590;CCC(CO)OCCN;AQEIZNABOFSSHR-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198591;MM198591;CCC(CO)OCCO;YUWAVMWGKKRWFH-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198592;MM198592;CCC(CO)OCCF;WKMVBRIDERXOOC-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198593;MM198593;CCC(CF)OCCN;JFDAMTGENWABQR-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198594;MM198594;CCC(CF)OCCO;ZQTMACSJEIXHPB-UHFFFAOYSA-N;136.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198595;MM198595;CCC(CF)OCCF;IRGSBBAAASTDRK-UHFFFAOYSA-N;138.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198596;MM198596;CCCOC(CN)CN;MQACCWNZTCWMQO-UHFFFAOYSA-N;132.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198597;MM198597;NCC(CN)OCCO;OMCVWYRPGFQRSK-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198598;MM198598;NCC(CN)OCCF;QJZKFGWMPCSQIR-UHFFFAOYSA-N;136.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198599;MM198599;CCCOC(CN)CO;JMTYVJMCSMIETN-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198600;MM198600;NCCOC(CN)CO;UOQMBXHZKSUENV-UHFFFAOYSA-N;134.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198601;MM198601;NCC(CO)OCCO;WOAJKUQZHVZIEN-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198602;MM198602;NCC(CO)OCCF;OAVNOMBWXJXVHP-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198603;MM198603;NCC(CF)OCCO;PSZGOEVNNYILQD-UHFFFAOYSA-N;137.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198604;MM198604;CCCOC(CO)CO;WQQGNQADDWFKSM-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198605;MM198605;NCCOC(CO)CO;DFVSDPVTSYFAJM-UHFFFAOYSA-N;135.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198606;MM198606;OCCOC(CO)CO;BVYFLKAWQNLDST-UHFFFAOYSA-N;136.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198607;MM198607;OCC(CO)OCCF;VVIDOMNSVVDEGY-UHFFFAOYSA-N;138.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198608;MM198608;OCC(CF)OCCF;WHDKUPFLXRVXFN-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198609;MM198609;OCCOC(CF)CF;DCTNEYUDINGLTH-UHFFFAOYSA-N;140.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198610;MM198610;FCCOC(CF)CF;VIMGUBQIPAREDR-UHFFFAOYSA-N;142.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198611;MM198611;CCC(CF)OCOC;SWJGNQHZKMMFQR-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198612;MM198612;CCCOC(CC)OC;QBJONIZMVWIZON-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198613;MM198613;COC(CN)OCCN;YXNSPHHNJKVROB-UHFFFAOYSA-N;134.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198614;MM198614;COC(CN)OCCO;KPFMGLCKCPQSEP-UHFFFAOYSA-N;135.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198615;MM198615;COC(CO)OCCN;STLBGGBKUHTJMI-UHFFFAOYSA-N;135.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198616;MM198616;COC(CO)OCCF;NORRYXXMBKCCCN-UHFFFAOYSA-N;138.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198617;MM198617;CCCOC(CF)OC;QVWCAPXBEMHOHB-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198618;MM198618;COC(CF)OCCN;RBOLFEQDGMTPQA-UHFFFAOYSA-N;137.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198619;MM198619;COCOC(CN)OC;SWUDSAPJVSRNLX-UHFFFAOYSA-N;135.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198620;MM198620;CCCCN(CC)CC;ORSUTASIQKBEFU-UHFFFAOYSA-N;129.25;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198621;MM198621;CCN(CC)CCCN;QOHMWDJIBGVPIF-UHFFFAOYSA-N;130.24;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198622;MM198622;CCN(CC)CCCO;WKCYFSZDBICRKL-UHFFFAOYSA-N;131.22;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198623;MM198623;CCN(CC)CCCF;FOFJYYHLAXHFAV-UHFFFAOYSA-N;133.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198624;MM198624;CCN(CC)CCNC;MKDYQLJYEBWUIG-UHFFFAOYSA-N;130.24;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198625;MM198625;CCN(CC)CCOC;PPXWSSUGLNOXLF-UHFFFAOYSA-N;131.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198626;MM198626;C=CCCC(CC)CC;JFUFRRLPRBBRLP-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198627;MM198627;CCC(CC)CCC=O;YWUQLNKFOQQQGJ-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198628;MM198628;CCC(CC)CCC#N;XHUWROVEEFXLID-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198629;MM198629;C=CCCC(CC)CN;RCYYPKMJBYZPDA-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198630;MM198630;C=NN(C)C(C#N)C=O;NNYMSRZVRWSMPU-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198631;MM198631;OCC(=NC=CF)NO;QEDXRFQXQFHPRE-UHFFFAOYSA-N;134.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198632;MM198632;C=CCCC(CN)CF;WNNSDIMMYRRSIG-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198633;MM198633;C=CCCC(CF)CF;PZCCWRFUAJRYRP-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198634;MM198634;O=CCCC(CF)CF;JYKRPVLYUWMINE-UHFFFAOYSA-N;136.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198635;MM198635;C=CCCC(CC)NC;AJTWXOCPCHYYDO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198636;MM198636;CCC(CCC=O)NC;OQVQGKIWUGTBRD-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198637;MM198637;CCC(CCC#N)NC;HJFXMUXIUINCSY-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198638;MM198638;C=CCCC(CN)NC;RABKVLSHBTZEIR-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198639;MM198639;CNC(CO)CCC#N;VSOIMVICKROJFB-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198640;MM198640;C=CCCC(CF)NC;QBYPQALIZUWREM-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198641;MM198641;C=CCCC(CC)OC;YPIZDVRNMCXDIZ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198642;MM198642;CCC(CCC#N)OC;UFTYBWDBRGHRQW-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198643;MM198643;COC(CO)CCC=O;GWGHZJVJJVLQNY-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198644;MM198644;C=CCCC(OC)OC;STTAPCBLBGAXKN-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198645;MM198645;CCC(CN)CNC=O;XYURZEOZLWTFIT-UHFFFAOYSA-N;130.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198646;MM198646;CCC(CO)CNC=N;BNVHMZIWLDMLEM-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198647;MM198647;N=CNCC(CN)CN;ATJYZMBBGATNKY-UHFFFAOYSA-N;130.2;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198648;MM198648;NCC(CN)CNC=O;BUBRLNCYDHZCIQ-UHFFFAOYSA-N;131.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198649;MM198649;N=CNCC(CN)CO;QISZRDFSDGTDLC-UHFFFAOYSA-N;131.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198650;MM198650;NCC(CO)CNC=O;KESXEAXQBPIIBM-UHFFFAOYSA-N;132.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198651;MM198651;N=CNCC(CO)CO;NHEMBVYSXCBPEQ-UHFFFAOYSA-N;132.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198652;MM198652;O=CNCC(CO)CO;YENKUCMEJMKQGF-UHFFFAOYSA-N;133.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198653;MM198653;N=CNCC(CF)CF;NTAUWEIFFIMGGO-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198654;MM198654;C=NNCC(CC)CC;HNJRZLPQDJBZFI-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198655;MM198655;C=NNCC(CC)CF;QVKWXWZRGNCCOW-UHFFFAOYSA-N;132.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198656;MM198656;C=NNCC(CN)CN;KWRCZHCETUWRJB-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198657;MM198657;C=NNCC(CN)CO;IQCPFDDJOBNLLO-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198658;MM198658;OCC(CO)=NN1CC1;MZWBUSPUXUDMML-UHFFFAOYSA-N;130.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198659;MM198659;NN=C1CC2C(O)C2O1;DSQRTIKQJYWRFK-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198660;MM198660;CCC(CNC=O)NC;NAYVUOWCKDWKLJ-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198661;MM198661;CNC(CO)CNC=N;XOGUDMUVJMOQEG-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198662;MM198662;CNC(CO)CNC=O;ACHGVQBVUHPVRO-UHFFFAOYSA-N;132.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198663;MM198663;C=NNCC(CO)NC;BHFJQBMYOFIKLT-UHFFFAOYSA-N;131.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198664;MM198664;CCC(CNC=N)OC;OGNVUGOLLMFUOO-UHFFFAOYSA-N;130.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198665;MM198665;COC(CN)CNC=N;ZLSVUJWLWQBSJV-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198666;MM198666;COC(CN)CNC=O;JOSCBYXAZZNSJZ-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198667;MM198667;COC(CO)CNC=N;YMJDQWXJYRWLJP-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198668;MM198668;COC(CO)CNC=O;BGYKPKCOJHLQCB-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198669;MM198669;COC(CF)CNC=O;FXTFYPRWDOXGPF-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198670;MM198670;C=NNCC(CN)OC;LEHDBFMMUMZTLM-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198671;MM198671;N=C(N)C(=O)CC(O)CO;AWXTYOLADAALIU-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198672;MM198672;C=NNCC(CF)OC;VFPMEUWVBAFJLI-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198673;MM198673;COC(CNC=N)OC;JJHOCKVLEXPQTC-UHFFFAOYSA-N;132.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198674;MM198674;COC(CNC=O)OC;HHRBHXDVRRCGQY-UHFFFAOYSA-N;133.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198675;MM198675;C=COCC(CC)CC;WDGNEDMGRQQNNI-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198676;MM198676;CCC(CC)COC=O;BLXXXEMRXXPBOB-UHFFFAOYSA-N;130.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198677;MM198677;C=COCC(CC)CN;YLGFFFBDKNRJFM-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198678;MM198678;CCC(CN)COC=O;SMAJEDIZHPZCTJ-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198679;MM198679;C=COCC(CC)CO;SVSRUGLRFGAGTC-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198680;MM198680;CCC(CF)COC=O;PTQXQRALUBRECN-UHFFFAOYSA-N;134.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198681;MM198681;C=COCC(CN)CN;NJDVSJNLBWMYLN-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198682;MM198682;NCC(CN)COC=O;JOSIZCYLPISKKB-UHFFFAOYSA-N;132.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198683;MM198683;NCC(CO)COC=O;GDCGWDUWXMIEHJ-UHFFFAOYSA-N;133.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198684;MM198684;NCC(CF)COC=O;OEIAZKPWGAOCBF-UHFFFAOYSA-N;135.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198685;MM198685;O=COCC(CO)CO;ADBZYNXYMHLCNO-UHFFFAOYSA-N;134.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198686;MM198686;C=COCC(CF)CF;QOPVVDAJKYOBSX-UHFFFAOYSA-N;136.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198687;MM198687;C=NOCC(CC)CC;OVEAVHOHHUJXIU-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198688;MM198688;C=NOCC(CC)CN;MCHXWWZNLQWSKQ-UHFFFAOYSA-N;130.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198689;MM198689;CC(C)=NOCC(=O)C=O;AKTOPXPTGXOSMV-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198690;MM198690;C=NOCC(CC)CF;KTLAQYNIPKFNQX-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198691;MM198691;C=NOCC(CN)CN;ZTPMWUICMVVASQ-UHFFFAOYSA-N;131.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198692;MM198692;C=NOCC(CN)CO;NKJDRGUHDIWARU-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198693;MM198693;C=NOCC(CN)CF;ZKYPRPRNKPRHFH-UHFFFAOYSA-N;134.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198694;MM198694;CCC(O)CC(O)C=NN;MOLWBIYQDRHAPH-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198695;MM198695;C=NOCC(CF)CF;DIRYVVPLYVKLRU-UHFFFAOYSA-N;137.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198696;MM198696;C=COCC(CC)NC;OHXVSMBSKLVHSB-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198697;MM198697;C=COCC(CN)NC;ADWIYFZBVXJMQH-UHFFFAOYSA-N;130.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198698;MM198698;CNC(CN)COC=O;WFZQICQAIHOSSM-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198699;MM198699;C=COCC(CO)NC;QXIMVAVNUNZXLT-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198700;MM198700;CNC(CO)COC=O;LJTBBHOGJXIUPJ-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198701;MM198701;C=COCC(CC)OC;MYUPMDLBYWGHSD-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198702;MM198702;C=COCC(CN)OC;LVLUEMSPQXLXDS-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198703;MM198703;COC(CN)COC=O;XORVGAJXOYEHSN-UHFFFAOYSA-N;133.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198704;MM198704;COC(CO)COC=O;CNCPDBXIWKALTE-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198705;MM198705;C=COCC(CF)OC;KQHJWFGEYFPEOH-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198706;MM198706;C=NOCC(CC)OC;GHKHGZIWEMOFJJ-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198707;MM198707;C=CCNC(CC)CC;RSNATXCAQPANIV-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198708;MM198708;CCC(CC)NCC=O;DCENDHOTRYSNTM-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198709;MM198709;CCC(CC)NCC#N;MKQGKEKNCVEFFP-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198710;MM198710;C=CCNC(CC)CF;ICPMABOUYUAMGL-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198711;MM198711;C=CCNC(CN)CN;LFEVDKKPSZPCCM-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198712;MM198712;C=CCNC(CN)CO;XBDGDZDKYKOALB-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198713;MM198713;C=CN(N)C(C)=NC(N)=O;GRRLVQYKHIDXSZ-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198714;MM198714;CON=C(CC(N)=O)NO;SLRWMYAIUGPEBF-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198715;MM198715;N#CCNC(CF)CF;SEXMZXCFAITTQZ-UHFFFAOYSA-N;134.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198716;MM198716;C=CCC(O)C=NOC=O;PNAFDVAXLOBAGL-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198717;MM198717;CCC(CN)NNC=N;ZPWMWPDBDJMPHQ-UHFFFAOYSA-N;130.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198718;MM198718;CCC(CN)NNC=O;YUXCFUVMHUGSRX-UHFFFAOYSA-N;131.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198719;MM198719;CCC(CO)NNC=N;VAMCCRWNIUNIGO-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198720;MM198720;C=CC(=NN)C(C)C(N)=O;WEIARYVGRDHRSE-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198721;MM198721;N=c1c(=O)oc(F)cn1O;TWTRESGGTBAAHL-UHFFFAOYSA-N;146.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198722;MM198722;NCC(CN)NNC=O;CRXWWSMLWGUALT-UHFFFAOYSA-N;132.17;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198723;MM198723;N=CNNC(CN)CO;YSJFQUZXQGNWEV-UHFFFAOYSA-N;132.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198724;MM198724;N=CNNC(CN)CF;LVHLQFVVGFDNDA-UHFFFAOYSA-N;134.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198725;MM198725;NCC(CF)NNC=O;DERFYVYAXHRCLJ-UHFFFAOYSA-N;135.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198726;MM198726;COC(CC(O)CO)=NN;PJRLCALJBQTJKT-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198727;MM198727;O=CNNC(CF)CF;XKIBFYXCTGKBCK-UHFFFAOYSA-N;138.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198728;MM198728;C=CCOC(CC)CC;GTMMTILTZDGPFO-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198729;MM198729;CCC(CC)OCC=O;UUXPTJGFFZJHAB-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198730;MM198730;CCC(CC)OCC#N;BKXMKAHUNJGXEA-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198731;MM198731;C=CCOC(CC)CN;JJUKDVLOYQNXHI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198732;MM198732;C=CCOC(CC)CO;YMXRFCXQCDIXDY-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198733;MM198733;C=CCOC(CC)CF;IKDOLPVFLOZNLM-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198734;MM198734;O=CCOC(CO)CO;ZMUVAGRARCGECN-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198735;MM198735;N#CCOC(CO)CO;IODORCUOIWQEMT-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198736;MM198736;O=CCOC(CF)CF;FKNXETMMKHQKAR-UHFFFAOYSA-N;138.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198737;MM198737;N#CCOC(CF)CF;HZJBKWZOHLJITC-UHFFFAOYSA-N;135.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198738;MM198738;C=CCOC(CC)OC;JSTODZDDJMBHOB-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198739;MM198739;C=CCOC(CO)OC;RILVAYKEQUHLQX-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198740;MM198740;COC(CO)OCC=O;CVAKDDLCFPYHKA-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198741;MM198741;CCC(CC)ONC=N;UKXPISVXXXDFAO-UHFFFAOYSA-N;130.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198742;MM198742;CCC(CC)ONC=O;WEOXTUSWISBTPQ-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198743;MM198743;CCC(CN)ONC=N;DJSFLURRLVJRTC-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198744;MM198744;NCC(CN)ONC=O;DFISMTFWTXHIEG-UHFFFAOYSA-N;133.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198745;MM198745;N=CNOC(CN)CO;NIRZAJLANBNIJX-UHFFFAOYSA-N;133.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198746;MM198746;NCC(CO)ONC=O;HMNYQGNQYHPSCB-UHFFFAOYSA-N;134.14;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198747;MM198747;NCC(CF)ONC=O;SGHKEOPEKCGUEX-UHFFFAOYSA-N;136.13;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198748;MM198748;O=CNOC(CO)CO;GIGQNHVHUGMWOR-UHFFFAOYSA-N;135.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198749;MM198749;CCC(OC)ONC=O;IUXUZPKLYIAHBM-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198750;MM198750;COC(CN)ONC=N;UDEJHQLTNFZPPN-UHFFFAOYSA-N;133.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198751;MM198751;COC(CO)ONC=N;ODERHKCAIWNHJS-UHFFFAOYSA-N;134.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198752;MM198752;COC(CO)ONC=O;LKGSMQPNSRTCMR-UHFFFAOYSA-N;135.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198753;MM198753;COC(CF)ONC=N;BHHKPOIVIQOUKC-UHFFFAOYSA-N;136.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198754;MM198754;C=CCCN(CC)CC;IHDJRRCDEKSDLZ-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198755;MM198755;C#CCCC(CC)CC;BXRXKEODNBQTOT-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198756;MM198756;C#CCCC(CC)CN;DCAYMORKUNGMIS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198757;MM198757;CN(C=N)N=C(CO)CO;IRQGBSYPBIECMF-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198758;MM198758;C#CCCC(CN)CF;UNIWXQLJQGGLTA-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198759;MM198759;C#CCCC(CF)CF;RQOJAHIKSZGZIU-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198760;MM198760;C#CCCC(CC)NC;ADHGMZGFUYAURD-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198761;MM198761;C#CCCC(CN)NC;LEEHRPWNQYTHSR-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198762;MM198762;C#CCCC(CF)NC;FKYJICPLYUELIS-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198763;MM198763;C#CCCC(CC)OC;XQZARRVKEPAOOT-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198764;MM198764;C#CCCC(CN)OC;VVJUCVBFGRMCIL-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198765;MM198765;C#CCCC(CO)OC;CKZPLKAQYCGCMI-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198766;MM198766;C#CCCC(CF)OC;UBARAEVAEWFGDT-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198767;MM198767;C#CCCC(OC)OC;MEDHMPCCHDGXIJ-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198768;MM198768;C#CCNC(CC)CC;NFJFQDUDUQKVCH-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198769;MM198769;C#CCNC(CC)CN;IYJCALPWZOJARM-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198770;MM198770;C#CCNC(CN)CN;ZNNWQYNRRSBWPN-UHFFFAOYSA-N;127.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198771;MM198771;C#CCNC(CN)CO;SEFQTRQPEDDWOG-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198772;MM198772;C#CCOC(CC)CC;YREQGWFNIPXJJC-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198773;MM198773;C#CCOC(CC)CO;PDBHFGQGADDPCR-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198774;MM198774;C#CCOC(CN)CO;OKEBJQXQDJZYGD-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198775;MM198775;C#CCOC(CN)CF;RLBVYBVJDZEWOV-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198776;MM198776;C#CCOC(CO)CO;RQFNDFRLLHDLDB-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198777;MM198777;C#CCOC(CC)OC;VGANXJQSCSIBHC-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198778;MM198778;C#CCOC(CN)OC;PCINTRQIRSQPCP-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198779;MM198779;C=CC(CC)CCCC;QDQMRZAKJQTTEF-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198780;MM198780;C=CC(CC)CCCN;OJHSEANEICLVNC-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198781;MM198781;NC(=O)CN=C(CO)NO;MNZHHIYVCVMFJL-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198782;MM198782;C=CC(CC)CCCF;ORMRNQVGHNMDCZ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198783;MM198783;CCCCC(C=O)CC;LGYNIFWIKSEESD-UHFFFAOYSA-N;128.22;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198784;MM198784;CCCCC(C#N)CC;WYYVVEWZSRVHNF-UHFFFAOYSA-N;125.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198785;MM198785;N=C(CO)N(N)C(=O)CF;NMVKFCXKACZDNI-UHFFFAOYSA-N;149.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198786;MM198786;CCC(C#N)CCCO;NCKHNSZFZZXDRU-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198787;MM198787;CCC(C=O)CCCF;HYWZAZDLSHTPFX-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198788;MM198788;CCC(C#N)CCCF;BYDPMPZWACDINY-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198789;MM198789;C=CC(CN)CCCC;WUUSLZWIBDCVHG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198790;MM198790;C=COCC(=O)N(N)C=N;OZSBTYGYMCDGKF-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198791;MM198791;CCCCC(C=O)CO;SOCSGCSCSMVDQQ-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198792;MM198792;CCCCC(C#N)CO;HDSISBYFWQMMHT-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198793;MM198793;N#CC(CO)CCCO;SQSDQXQIRRABIT-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198794;MM198794;O=CC(CO)CCCF;AAWGEBFLIZJLTN-UHFFFAOYSA-N;134.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198795;MM198795;C=CC(CF)CCCC;KTADIHUIMZNFIW-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198796;MM198796;C=CC(CF)CCCN;BTBAHJWOPFYGDM-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198797;MM198797;CC=NOC(C)C(O)CC;GZBRHSKFUNBUJF-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198798;MM198798;C=CC(CF)CCCF;SORORXBKVVAZPA-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198799;MM198799;CCCCC(C=O)CF;FCZCWCSEZUIDJP-UHFFFAOYSA-N;132.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198800;MM198800;CCCCC(C#N)CF;XIBNHFCWHSWXSF-UHFFFAOYSA-N;129.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198801;MM198801;C=CC(CC)CCNC;YLIJNUJSUWZEQX-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198802;MM198802;CCC(C=O)CCNC;CMMOEVOLWCFCAG-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198803;MM198803;CCC(C#N)CCNC;IJAIJJJFOIJMBK-UHFFFAOYSA-N;126.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198804;MM198804;C=CC(CF)CCNC;KYFINDJGUZSPBH-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198805;MM198805;C=CC(CC)CCOC;FKTNBOVSXWBPPF-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198806;MM198806;CCC(C=O)CCOC;JAXICJRALFGWKG-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198807;MM198807;CCC(C#N)CCOC;WYPKLNJVHZTPCS-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198808;MM198808;C=CC(CN)CCOC;TZGCTNSBXGLLIH-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198809;MM198809;C=CC(CO)CCOC;STJSWPQPLIVGMN-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198810;MM198810;COCCC(C#N)CO;RELDLMROABVXCZ-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198811;MM198811;C=CC(CF)CCOC;OVIWFUOZIDNEFO-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198812;MM198812;C=CC(CCCC)NC;GAZKJPJMTAHQAY-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198813;MM198813;CCCCC(C#N)NC;AFXAKTZQAHUCTD-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198814;MM198814;C=CC(C=NN)=CNC=O;SEXPMHBJTUSABB-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198815;MM198815;CNC(C=O)CCOC;SLRGYXJFFXVPMT-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198816;MM198816;C=CC(CCCC)OC;IAWBTGWBVHANJP-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198817;MM198817;C=CC(CCCN)OC;KPRHWROTYBSZGD-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198818;MM198818;C=CC(CCCO)OC;WAJOTEJMLKGMCI-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198819;MM198819;C=CC(CCCF)OC;GJTFBOLGNVXDLZ-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198820;MM198820;CCCCC(C#N)OC;QCPDIAQMZJMOSN-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198821;MM198821;C=CC(CCNC)OC;BEMKNKGLJIQZSP-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198822;MM198822;CNCCC(C=O)OC;SIFZPOTVTYBFLG-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198823;MM198823;C=CC(CCOC)OC;LCMXVCZOQDFMFC-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198824;MM198824;COCCC(C=O)OC;XTYQIMHNDHJMAH-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198825;MM198825;C=CC(CC)CNCC;KEFDPFWCHCJVCG-UHFFFAOYSA-N;127.23;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198826;MM198826;CCNCC(C=O)CC;LYYVWHQFYQHIFM-UHFFFAOYSA-N;129.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198827;MM198827;C=CC(CF)CNCC;UPNYMNIFKGGFTI-UHFFFAOYSA-N;131.19;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198828;MM198828;C=CC(CNCC)NC;SHWSRQMEAFLHSU-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198829;MM198829;C=CC(CNCC)OC;WAPGULAWUMBBOG-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198830;MM198830;CCNCC(C=O)OC;ILKOBNXXKYKPBO-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198831;MM198831;C=CC(CC)COCC;MWLWXAGFMWZVMV-UHFFFAOYSA-N;128.22;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198832;MM198832;CCOCC(C=O)CC;QLAIGUCIIPMDLB-UHFFFAOYSA-N;130.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198833;MM198833;CCOCC(C#N)CC;XWVUVLFQGSJPTC-UHFFFAOYSA-N;127.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198834;MM198834;C=CC(CN)COCC;XNTNKMMUSBRBRZ-UHFFFAOYSA-N;129.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198835;MM198835;C=CC(CO)COCC;FKWXRUXLFVIIGJ-UHFFFAOYSA-N;130.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198836;MM198836;CCOCC(C#N)CO;UDFFYJSNQVNWOI-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198837;MM198837;C=CC(CF)COCC;MTBNBRTWNCKROA-UHFFFAOYSA-N;132.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198838;MM198838;C=CC(COCC)NC;JLONCNVQLKQARG-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198839;MM198839;C=CC(COCC)OC;DFKSYNOWKXLUAF-UHFFFAOYSA-N;130.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198840;MM198840;C=CC(CC)NCCC;MTHDVHFXAOCFBH-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198841;MM198841;C=CC(CC)NCCF;IWPQBIGNNWEVGJ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198842;MM198842;CCCNC(C=O)CC;OERVZLZVWRZAAU-UHFFFAOYSA-N;129.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198843;MM198843;CCCNC(C#N)CC;ZBHDPWYDXUHXAV-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198844;MM198844;C=CC(CN)NCCN;CWJLFTLRLIQXNU-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198845;MM198845;C=CC(CN)NCCO;AMVHZVSZPCERHW-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198846;MM198846;C=CC(CN)NCCF;QBHBASDZEJLABE-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198847;MM198847;C=CC(CO)NCCN;XUVOHOKASCSYBS-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198848;MM198848;C=CC(CO)NCCO;LRXBIFYDXHSBMY-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198849;MM198849;N=C(N)N(C=O)C(=O)CF;WFBLKUZPADSJGL-UHFFFAOYSA-N;147.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198850;MM198850;CN(O)C(CO)=NCC=O;BOMPBJIYRMPZAK-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198851;MM198851;C#CCN=C(CO)N(C)O;JZRYURNCVOXOSW-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198852;MM198852;N#CC(CF)NCCF;NCXRUCYAGJIUJH-UHFFFAOYSA-N;134.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198853;MM198853;C=CC(CC)OCCC;GQEDQZVKSCMFDN-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198854;MM198854;C=CC(CC)OCCN;AGUAUGLRCRWSMP-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198855;MM198855;C=CC(CC)OCCO;LBEJUVBAVZXIKC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198856;MM198856;C=CC(CC)OCCF;NFKCVVATXKNFMW-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198857;MM198857;CCCOC(C#N)CC;JYHHOUWMLLMHNH-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198858;MM198858;CCC(C=O)OCCO;CXHZTBOORZWRNE-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198859;MM198859;CCC(C#N)OCCF;DPWUZSTUFPGBIU-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198860;MM198860;C=CC(CN)OCCC;VLGFHJWOQROVPH-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198861;MM198861;C=CC(CN)OCCN;GMHBFUYDHVFYBJ-UHFFFAOYSA-N;130.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198862;MM198862;C=CC(CN)OCCO;DTOPBQKJHKUMPU-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198863;MM198863;C=CC(CO)OCCC;NQUXKHRYVYCHOM-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198864;MM198864;C=CC(CO)OCCN;SLTGPOZXZAWCMI-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198865;MM198865;C=CC(CO)OCCO;AQECTALTJJZXSV-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198866;MM198866;C=CC(CO)OCCF;MIGYQMSLZFLOHF-UHFFFAOYSA-N;134.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198867;MM198867;CCCOC(C=O)CO;VDOGUYZITHXOSR-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198868;MM198868;O=CC(CO)OCCO;BLTJOHKUEIVPQF-UHFFFAOYSA-N;134.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198869;MM198869;N#CC(CO)OCCO;KLFYUWYOCJSSGC-UHFFFAOYSA-N;131.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198870;MM198870;N#CC(CO)OCCF;JPJPDHPSRUWOQB-UHFFFAOYSA-N;133.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198871;MM198871;C=CC(CF)OCCC;IQUIUPRKWWEXTM-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198872;MM198872;C=CC(CF)OCCF;CBNBJZZCSMVXMQ-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198873;MM198873;CCCOC(C#N)CF;LLBRVQZHQGIVHN-UHFFFAOYSA-N;131.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198874;MM198874;CCC(C=O)OCOC;ZQZRQRCFJLQANQ-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198875;MM198875;C=CC(CN)OCOC;JKZDYYYNRIHIRG-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198876;MM198876;C=CC(CO)OCOC;OGAJBMMXJALEOE-UHFFFAOYSA-N;132.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198877;MM198877;COCOC(C=O)CO;WCVNMXKSLYPSDR-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198878;MM198878;COCOC(C#N)CO;ZCBFMBRKLWIUFW-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198879;MM198879;COCOC(C#N)CF;VCPZLQPUIDAQIV-UHFFFAOYSA-N;133.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198880;MM198880;C=CC(OC)OCCC;DOGPDGOBJHGXBU-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198881;MM198881;C=CC(OC)OCCF;OMPWCQFJSHUINZ-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198882;MM198882;CCCOC(C=O)OC;OUJRGWRDSGMRJD-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198883;MM198883;COC(C=O)OCCO;RXEJOJSNWYOMSE-UHFFFAOYSA-N;134.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198884;MM198884;COC(C#N)OCCO;WBEJTEKKSZRBNI-UHFFFAOYSA-N;131.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198885;MM198885;COC(C=O)OCCF;WTTQKSSIHYUIGW-UHFFFAOYSA-N;136.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198886;MM198886;CCN(C=N)CCCN;PUHLQWSSQFUCCV-UHFFFAOYSA-N;129.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198887;MM198887;CCN(C=N)CCCO;BWDQTFYSALORGY-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198888;MM198888;CCCCN(C=O)CC;SJSLMHNGCRONAA-UHFFFAOYSA-N;129.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198889;MM198889;CCN(C=O)CCCN;BOYTWPIGSTZXLW-UHFFFAOYSA-N;130.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198890;MM198890;C=NN(CC)CCCC;HAZYTNDJDSDJDB-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198891;MM198891;C=NN(CC)CCCF;AIBMEWPCAZXVGZ-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198892;MM198892;CNN(C=N)CCCN;BLBOVZQRGUQLAU-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198893;MM198893;CNN(C=N)CCCO;XLMLJKBKTGDITP-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198894;MM198894;CNN(C=O)CCCN;XZKPFKASWVSWEL-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198895;MM198895;N=c1ncn(O)c(N)c1F;OWKJEQQEXGDSCI-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198896;MM198896;CNCCN(C=N)NC;SAPBXMPUZAPLCP-UHFFFAOYSA-N;130.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198897;MM198897;CNCCN(C=O)NC;LXGFFOKKCHCZTE-UHFFFAOYSA-N;131.18;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198898;MM198898;CON(C=N)CCCN;IHYPWRSFEFSIIG-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198899;MM198899;CON(C=N)CCCO;NDUFTXFOWCUJIY-UHFFFAOYSA-N;132.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198900;MM198900;CON(C=O)CCCN;OVZJUGPAEWQCSX-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198901;MM198901;CON(C=O)CCCO;MBPFPWRTZRSOND-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198902;MM198902;CNCCN(C=N)OC;ITZBDQFZEMAAOD-UHFFFAOYSA-N;131.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198903;MM198903;CNCCN(C=O)OC;OKOZCGBYRAUFQY-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198904;MM198904;CCN(C=N)NCCN;BJXBAWBUALOSGC-UHFFFAOYSA-N;130.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198905;MM198905;CCN(C=N)NCCO;RWOKHMILGJQDGZ-UHFFFAOYSA-N;131.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198906;MM198906;CCN(C=O)NCCN;IGIMRLXMJWPHOU-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198907;MM198907;CNc1cc(C)n(N)c1O;WANQIYBGQYRAPU-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198908;MM198908;CCCON(C=N)CC;ZWAPQTPTFZCBGJ-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198909;MM198909;CCN(C=N)OCCN;FFHXJMUNYNRGMZ-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198910;MM198910;CCN(C=O)OCCN;ZMWXKOXWELFEIZ-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198911;MM198911;CCN(C=O)OCCO;RQRWXYQFQZOKCZ-UHFFFAOYSA-N;133.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198912;MM198912;C=CCCC(C=C)CC;CQZFYSIAGURBTH-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198913;MM198913;C=CC(CC)CCC=O;GVXMIAQBJNWCOK-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198914;MM198914;C=CC(CC)CCC#N;JEEYQRACPSLUKS-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198915;MM198915;C=CCCC(C=O)CC;OAKJUWNZHNRUNB-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198916;MM198916;C=CCCC(C#N)CC;WVDGPCSESBUSNK-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198917;MM198917;CCC(C=O)CCC=O;OJEAXIMJLLYVQH-UHFFFAOYSA-N;128.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198918;MM198918;CCC(C=O)CCC#N;AZTDLROTSCCDMC-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198919;MM198919;CCC(C#N)CCC=O;WTGINLVUXQGYSA-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198920;MM198920;CCC(C#N)CCC#N;CFNZJVQAYXODOE-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198921;MM198921;C=CCCC(C=C)CN;HCVIYCLXBFBDQV-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198922;MM198922;C=CCCC(C#N)CO;GIJMUAUTXUAMBU-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198923;MM198923;N#CC(CO)CCC=O;SRKJYCBZQNXNGL-UHFFFAOYSA-N;127.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198924;MM198924;C=CCCC(C=C)CF;OMKPCZTUDOADJY-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198925;MM198925;C=CCCC(C=O)CF;XWNUBYRDPLBJNQ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198926;MM198926;C=CCCC(C#N)CF;CJDBDPKJWNGJQL-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198927;MM198927;O=CCCC(C=O)CF;FAKQFACGYGBAEF-UHFFFAOYSA-N;132.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198928;MM198928;CNC(C#N)CCC#N;DRULXDCJVFJJTI-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198929;MM198929;C=CCCC(C=C)OC;NRMDMKZVSGDRBS-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198930;MM198930;C=CC(CCC#N)OC;HHFQPTYOWWRVCH-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198931;MM198931;C=CC(CC)CNC=N;YPFGGJNCTIBWTC-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198932;MM198932;OCC=NOC(CO)CO;NLRFUYGFHYEFGY-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198933;MM198933;C=CC(CN)CNC=N;OUSKPWXREIJGSP-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198934;MM198934;C=CC(CN)CNC=O;FXVBGXDAIKJEEC-UHFFFAOYSA-N;128.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198935;MM198935;C=CC(CO)CNC=N;WVRKIAKOFQXDHM-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198936;MM198936;N#CC(CO)CNC=N;ZYUYRGQEDDMVBC-UHFFFAOYSA-N;127.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198937;MM198937;O=CNCC(C=O)CO;MCENEEMPYGIZLK-UHFFFAOYSA-N;131.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198938;MM198938;N#CC(CF)CNC=O;PNUIRDUVHJZQOC-UHFFFAOYSA-N;130.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198939;MM198939;C=CC(CC)CNN=C;AGUWSGSQGBRRNO-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198940;MM198940;CN=CNN=C(CO)CO;UKIMTYJDFHVMQV-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198941;MM198941;CN(CCO)C(C#N)C#N;JIYRXKYBVQCVKX-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198942;MM198942;C=CC1=NC(=NN=C)CN1;GWJIOMAABRFOOZ-UHFFFAOYSA-N;136.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198943;MM198943;C=CC(O)C1C(C)N1N=C;LWUNSJWILUBHLK-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198944;MM198944;C=CC(CF)CNN=C;DBGQHSLPMVRQSD-UHFFFAOYSA-N;130.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198945;MM198945;C=CC(CNC=N)NC;XMWWPZWAWBSWLP-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198946;MM198946;C=CC(CNC=O)NC;NJIYBMMHWQIYTR-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198947;MM198947;CNC(C=O)CN=CN;LCTIVFXBIKIHKV-UHFFFAOYSA-N;129.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198948;MM198948;C=CC(CNN=C)NC;ZUUSOAQFKOYBOT-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198949;MM198949;CCC1=NN=C(NO)NC1;AIHBXLPKVJIAGR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198950;MM198950;C=CC(CNC=N)OC;NOWZUAGJBJJURD-UHFFFAOYSA-N;128.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198951;MM198951;COC(C#N)CNC=N;AJFRIGUGMXTCIK-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198952;MM198952;COC(C=O)CNC=O;FAXWOEVLNNFWFJ-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198953;MM198953;C=COCC(C=C)CC;AZCOLSUWFHICIX-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198954;MM198954;C=CC(CC)COC=O;GKPOPOVBKMWJBV-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198955;MM198955;C=COCC(C=O)CC;BRJCHVATUYLKOH-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198956;MM198956;C=COCC(C#N)CC;ZQFVUWIFVHABQY-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198957;MM198957;CCC(C=O)COC=O;RHXCOJZULHJRMU-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198958;MM198958;CCC(C#N)COC=O;PXFZNEIOJUQRCF-UHFFFAOYSA-N;127.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198959;MM198959;C=COCC(C=C)CN;DWGDCYQMFOXLAL-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198960;MM198960;C=COCC(C=C)CO;RWYFRKWLGJPZHP-UHFFFAOYSA-N;128.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198961;MM198961;C=COCC(C=O)CO;KGVJWKGBXZRBSP-UHFFFAOYSA-N;130.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198962;MM198962;O=COCC(C=O)CO;ZBEZXAAYZCELDK-UHFFFAOYSA-N;132.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198963;MM198963;N#CC(CO)COC=O;NLZCEWHHULWXEC-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198964;MM198964;C=CC(CF)COC=O;PLLCAEVREVRCTF-UHFFFAOYSA-N;132.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198965;MM198965;C=COCC(C#N)CF;XCNMDOYCHJGOJW-UHFFFAOYSA-N;129.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198966;MM198966;C=CC(CC)CON=C;DLOWVFCXFAADBY-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198967;MM198967;NN1CC(F)C1=O;FCMVKMOGOUIXKU-UHFFFAOYSA-N;104.08;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198968;MM198968;C=NOCC(C#N)CC;QSTFWXKIZIXKKY-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198969;MM198969;CNc1coc(N)n1;IOMNUGVVGXHBBO-UHFFFAOYSA-N;113.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198970;MM198970;C=COCC(C=C)NC;BIZGLHLMNNPTIA-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198971;MM198971;CNC(C#N)COC=O;ZOIDPGRQVPTDJX-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198972;MM198972;C=COCC(C=C)OC;MYYZMMRCSKEQCX-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198973;MM198973;C=CC(COC=O)OC;ADEHRVSXJYJZDS-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198974;MM198974;C=CC(CON=C)OC;OYPDPKZKZIHXDZ-UHFFFAOYSA-N;129.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198975;MM198975;C=CCNC(C=C)CC;AIRBIUHXVANWPE-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198976;MM198976;C=CC(CC)NCC#N;LLWVPWULRCJSLF-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198977;MM198977;C=CCNC(C#N)CC;ZMOPOAASRZXVNH-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198978;MM198978;CC(=NC(N)=O)N(C)N;DEGKIKVDXPCLQC-UHFFFAOYSA-N;130.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198979;MM198979;C=CCC(O)C=NOC;XXQKROLDLFWOQQ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198980;MM198980;CCC(C#N)NCC#N;UOQOPGNTGKVSBI-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198981;MM198981;C=CCNC(C=C)CO;HAZPHISAJSRLCR-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198982;MM198982;NN=CCCC(O)CF;AYKJSBVKJJCCMO-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198983;MM198983;CCNc1coc(N)n1;DVVAPBMLBWNJLZ-UHFFFAOYSA-N;127.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198984;MM198984;CC12CC1(O)CC1CN12;BQGZDYKLDFINOS-UHFFFAOYSA-N;125.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198985;MM198985;C#CC1NC(C=C)C1=O;RSNKTBDIIRYSDS-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198986;MM198986;C#CC(C#N)N(O)C=N;CCQXKUCULAUVJH-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198987;MM198987;C#CCN=C(CO)NO;BYFJOBUSJFQIJQ-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198988;MM198988;CCC(C#N)NNC=N;GICLYODJPYBTFB-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198989;MM198989;C=CC12C=CC(O)C1N2;JZNNGPQXMHETIW-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198990;MM198990;C=CC(CN)NNC=N;JZFCEFAJARDLGG-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198991;MM198991;C=CC(CN)NNC=O;RPITTYSDXHDBCX-UHFFFAOYSA-N;129.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198992;MM198992;C=CC(CO)NNC=N;RYKAGFXYHDWVRY-UHFFFAOYSA-N;129.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198993;MM198993;C=CC(O)C1CN1N=C;SHHBGBUJTCLBNO-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198994;MM198994;N#CC(CO)NNC=N;JCKWNMSZYJIDJI-UHFFFAOYSA-N;128.14;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198995;MM198995;N#CC(CO)NNC=O;CQINAYUGMUHWKV-UHFFFAOYSA-N;129.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198996;MM198996;C=CC(CF)NNC=N;MSJRTYDVCOUGAZ-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198997;MM198997;C=CC(CF)NNC=O;GAZWVKJERTZZFP-UHFFFAOYSA-N;132.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198998;MM198998;N=CNNC(C=O)CF;PWGHNOWDFAJUQC-UHFFFAOYSA-N;133.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM198999;MM198999;N#CC(CF)NNC=N;URKUSVPARDQMHD-UHFFFAOYSA-N;130.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199000;MM199000;O=CNNC(C=O)CF;CELJLIZZBQSDGH-UHFFFAOYSA-N;134.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199001;MM199001;N#CC(CF)NNC=O;BXIVWTGSQNTGIJ-UHFFFAOYSA-N;131.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199002;MM199002;C=CCOC(C=C)CC;CDRICTXYTRAZNM-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199003;MM199003;C=CC(CC)OCC#N;XHKWKQJDDRZLHS-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199004;MM199004;C=CCOC(C=O)CC;FDPYCFDEVYXNGX-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199005;MM199005;C=CCOC(C#N)CC;QBTYQWKIKQXKHV-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199006;MM199006;CCC(C=O)OCC=O;DXNKEJIUUJCPCH-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199007;MM199007;C=CCOC(C=C)CN;KYTQOTXOOWEPDB-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199008;MM199008;C=CCOC(C=C)CO;ZNIJGQSAHPHXKM-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199009;MM199009;O=CCOC(C=O)CO;HATUQJXYFABJDZ-UHFFFAOYSA-N;132.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199010;MM199010;N#CCOC(C=O)CO;ASUXWYDROFUPRG-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199011;MM199011;N#CC(CO)OCC=O;KVLPIYLICHYRJS-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199012;MM199012;N#CCOC(C#N)CO;NPIVBTDXWDJEAD-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199013;MM199013;C=CCOC(C=C)OC;LWFAXJFXPQOTBP-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199014;MM199014;C=CCOC(C=O)OC;BJQZYLYBSTUBPK-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199015;MM199015;C=CC(CC)ONC=N;QRZRKGLYAQGYHX-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199016;MM199016;C=CC(CC)ONC=O;RQISEYMCIKXVEW-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199017;MM199017;CCC(C=O)ONC=O;VHLDFOYJIHFKIJ-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199018;MM199018;C=CC(CN)ONC=O;HTZUZZHDMZLZGQ-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199019;MM199019;C=CC(CO)ONC=N;NOALPWYEGKCFGE-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199020;MM199020;N#CC(CO)ONC=N;MJMRQKXHVTWLBQ-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199021;MM199021;O=CNOC(C=O)CO;VVUOHHXXSLKDGY-UHFFFAOYSA-N;133.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199022;MM199022;N#CC(CO)ONC=O;IZZMPIRZHAFMOI-UHFFFAOYSA-N;130.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199023;MM199023;COC(C#N)ONC=N;GZEGSNKNRNXATA-UHFFFAOYSA-N;129.12;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199024;MM199024;C=CCCN(C=N)CC;AIMMUQMBTGSUSD-UHFFFAOYSA-N;126.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199025;MM199025;C=CCCN(CC)N=C;BHAZBTMDNCGGCK-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199026;MM199026;CNN(C=N)CCC=O;XTCMJRFHCLGCOQ-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199027;MM199027;CCNN=C(C)C(C)(C)O;HCPFJSDCVVTGKK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199028;MM199028;CCN(C=O)OCC=O;UTZCUKRRTDVRNE-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199029;MM199029;C#CCCC(C=C)CC;YRHMPOVZOIZWSW-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199030;MM199030;C#CCCC(C=O)CC;NOCMSYOKVKTERY-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199031;MM199031;C#CCCC(C#N)CC;YNWVUOMBZSRSNA-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199032;MM199032;C#CCCC(C=C)CN;YSTJKRKZCHQJOD-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199033;MM199033;NN=CCC=CNC(N)=O;RVCDQPFDNYJINI-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199034;MM199034;C#CCCC(C=C)CF;CAXAFUNBAXIARZ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199035;MM199035;C#CCCC(C=O)CF;VDYKNOLNNPRXOB-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199036;MM199036;C#CCCC(C=C)NC;PKECZCURFKSCCU-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199037;MM199037;C#CCCC(C=O)NC;APOFVZUHJNXRJV-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199038;MM199038;C#CCCC(C=C)OC;CGLDIJXJSGWTGZ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199039;MM199039;C#CCCC(C=O)OC;KDLYDRLXFVZVRM-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199040;MM199040;C#CCCC(C#N)OC;ZHFKOLHTLCFSKY-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199041;MM199041;C#CCNC(C=C)CC;XTFGCDAIMXHPKC-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199042;MM199042;CC(O)c1cn(N)c(=O)o1;SKBNPTCUAOISHJ-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199043;MM199043;C#CCNC(C#N)CF;WTLCWSLSOYXVGE-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199044;MM199044;C#CCOC(C=C)CC;SLRGLWITTLJVGK-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199045;MM199045;C#CCOC(C=C)CO;KRKOIAVIGHPABF-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199046;MM199046;C#CCOC(C=O)CO;FKUADDJLCXACOH-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199047;MM199047;C#CCOC(C=C)CF;HOCWMRQVJITOIP-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199048;MM199048;C#CCOC(C=O)CF;SKDLYOJDORXLJP-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199049;MM199049;C#CCCN(C=N)NC;BDUFYPRABIOGFL-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199050;MM199050;C#CCCN(C=O)NC;JANDKKOIORSRTM-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199051;MM199051;C#CCCN(C=O)OC;VHYXUCFKYVZXSH-UHFFFAOYSA-N;127.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199052;MM199052;C#CCON(C=N)CC;JFIKNMMDPMZSSB-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199053;MM199053;C#CC(CC)CCCC;ZSFABVOIAIIPSQ-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199054;MM199054;C#CC(CC)CCCN;SBYYPNODMMXHMJ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199055;MM199055;C#CC(CC)CCCO;ZCUPSGIABRQJJR-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199056;MM199056;C#CC(CC)CCCF;OOVASRLXSRFPPX-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199057;MM199057;C#CC(CN)CCCC;WGPIYAVPPXSHAZ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199058;MM199058;CCC(C)NCC(=O)C#N;VLODSFPOGHAQLH-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199059;MM199059;C#CC(CF)CCCN;OULMBSHLCYSMLA-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199060;MM199060;C#CC(CF)CCCO;MQCXCZIOJAITNN-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199061;MM199061;C#CC(CF)CCCF;WGJOYQINAGJBIN-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199062;MM199062;C#CC(CC)CCNC;ZRFNDGMSDNUJFL-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199063;MM199063;C#CC(CC)CCOC;FZTJADGGVMUOCF-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199064;MM199064;C#CC(CF)CCOC;VEPMGHUZFCAABZ-UHFFFAOYSA-N;130.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199065;MM199065;C#CC(CCCC)NC;SPANYDRNURXGMG-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199066;MM199066;C#CC(CCCN)NC;VHNKJUWLCNTVHG-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199067;MM199067;C#CC(CCCO)NC;ZECCAKDOLJPFBF-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199068;MM199068;C#CC(CCCF)NC;MEBYBFXACKEWQR-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199069;MM199069;C#CC(CCCC)OC;XIXFZEYIMVIERY-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199070;MM199070;C#CC(CCCF)OC;BEOSVQSBOPITEA-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199071;MM199071;C#CC(CCNC)OC;BARLKQYCMXHFEV-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199072;MM199072;C#CC(CCOC)OC;XMOZTQVPOISZOU-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199073;MM199073;C#CC(CC)CNCC;JSEBRGPUXHRTRR-UHFFFAOYSA-N;125.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199074;MM199074;C#CC(CN)CNCC;FAIYABCKFGMSSM-UHFFFAOYSA-N;126.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199075;MM199075;C#CC(CF)CNCC;VLWICDAHUZJSNF-UHFFFAOYSA-N;129.18;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199076;MM199076;C#CC(CC)COCC;HRFGGZCLIUXBNM-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199077;MM199077;C#CC(COCC)OC;NPSIJZJHILEMOX-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199078;MM199078;C#CC(CC)NCCC;NOCVXFUJDQRXDB-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199079;MM199079;C#CC(CC)NCCN;XHMPLRDRCACLQL-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199080;MM199080;C#CC(CC)NCCO;JAVNISLHRLVPRJ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199081;MM199081;C#CC(CN)NCCN;GWDWJUDUHFWBJS-UHFFFAOYSA-N;127.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199082;MM199082;C#CC(CN)NCCO;VCEQENUASKSULJ-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199083;MM199083;C#CC(CO)NCCN;NSKLUEYASAVBQC-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199084;MM199084;C#CC(CC)OCCC;BGUDMEURZYCYLQ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199085;MM199085;C#CC(CC)OCCN;ULRKTRYYMBIIJW-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199086;MM199086;C#CC(CC)OCCF;RBGZYCONKFYIFZ-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199087;MM199087;C#CC(CN)OCCC;LEJPMGWWOXETGH-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199088;MM199088;C#CC(CN)OCCN;IXRYUTOJNBBBND-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199089;MM199089;C#CC(CN)OCCO;XEOOIJYGOKALOC-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199090;MM199090;C#CC(CO)OCCC;GKDYEOSCHSOFOV-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199091;MM199091;C#CC(CO)OCCO;AKYVTSXFYURIKS-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199092;MM199092;C#CC(CO)OCCF;FHJYXMANDVIZMD-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199093;MM199093;C#CC(OC)OCCC;KBOKXFWLETXBHD-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199094;MM199094;C#CC(OC)OCCN;ZKYKUGYAWSHTSV-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199095;MM199095;C#CC(OC)OCOC;HRCSRKFZYUQQIT-UHFFFAOYSA-N;130.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199096;MM199096;C#CC(CC)CCC=C;CHLJOEFWGUEXIQ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199097;MM199097;C#CC(CC)CCC=O;PEQGLVFQNFKCMF-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199098;MM199098;C#CC(CC)CCC#N;BGRZJNPXIFZLIW-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199099;MM199099;C#CC(CF)CCC=C;MNKHCKHRJLUULG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199100;MM199100;C#CC(CF)CCC=O;BKBUHAXXHPJOIR-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199101;MM199101;C#CC(CF)CCC#N;IUVWNUPZKFPVCV-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199102;MM199102;C#CC(CCC=C)NC;DFKLBYNVBQUARM-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199103;MM199103;C#CC(CCC=C)OC;IDQPMLQKMYEAIQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199104;MM199104;C#CC(CC)CNC=N;UZCXPLWRDGXSKZ-UHFFFAOYSA-N;124.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199105;MM199105;CC1(CO)NC1C(F)CO;ONONHIUMNYFRRY-UHFFFAOYSA-N;149.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199106;MM199106;C#CC(CN)CNC=N;QVRWQEADWIWMDF-UHFFFAOYSA-N;125.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199107;MM199107;C#CC(CN)CNC=O;VTLQUUZHIDTAFM-UHFFFAOYSA-N;126.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199108;MM199108;C#CC(CO)CNC=N;BPXZRGIUBRHQFH-UHFFFAOYSA-N;126.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199109;MM199109;C#CC(CO)CNC=O;TWAZYCOPCJKEID-UHFFFAOYSA-N;127.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199110;MM199110;C#CC(CC)CNN=C;JSGKHFASYGXNMT-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199111;MM199111;CC(C=O)N=C(CO)NO;MUWPNTDSWDTQMW-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199112;MM199112;C#CC(CNC=N)NC;IJOSKUCDSBRPKC-UHFFFAOYSA-N;125.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199113;MM199113;C#CC(CNC=N)OC;ZWGZCNWSKFFTOI-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199114;MM199114;C#CC(CNN=C)OC;MNNUWWNKEFAGMG-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199115;MM199115;C#CC(CC)COC=C;HFGPLNVSWGWVPG-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199116;MM199116;C#CC(CC)COC=O;JGYDBVUQJXDKAY-UHFFFAOYSA-N;126.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199117;MM199117;C#CC(CO)COC=C;SVBWMWZODUOGKO-UHFFFAOYSA-N;126.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199118;MM199118;C#CC(CF)COC=C;NVGLMXABYDDDGG-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199119;MM199119;C#CC(CC)CON=C;KULNXFXCPHEZOC-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199120;MM199120;C#CC(COC=C)OC;WPFIEKQXDFMJFG-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199121;MM199121;C#CC(CC)NCC=C;VNVQGODOKPGWBQ-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199122;MM199122;C#CC(C)N=C(CO)NO;ARBORCRKOFTGEH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199123;MM199123;C#CC(CC)NNC=N;PZOQILUFFHUOMZ-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199124;MM199124;CN=C(CO)NOC(N)=O;PNPYIBOXWIBZEV-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199125;MM199125;C#CC(CN)NNC=N;NTXADOSMLNDYFW-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199126;MM199126;C#CC(CN)NNC=O;DPASRFKBZJNCSB-UHFFFAOYSA-N;127.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199127;MM199127;C#CC(CO)NNC=O;HMDVJEVSOZWYHT-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199128;MM199128;C#CC(CF)NNC=N;BJMHYRLTDSCQPM-UHFFFAOYSA-N;129.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199129;MM199129;C#CC(CF)NNC=O;WAGFGHKNMMWWQE-UHFFFAOYSA-N;130.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199130;MM199130;C#CC(CC)OCC=C;UYYKFVSOYGCCTQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199131;MM199131;C#CC(CC)OCC#N;CLQUOOQDYHKBLJ-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199132;MM199132;C#CC(CO)OCC=C;OFBYTNLASRQFKS-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199133;MM199133;C#CC(CO)OCC=O;RNRJEMZXDMDVLS-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199134;MM199134;C#CC(CF)OCC=C;QHQBXFMAFYOZMN-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199135;MM199135;C#CC(CF)OCC=O;DKSIMKLWQJUKQH-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199136;MM199136;C#CC(OC)OCC=C;SQRDQRNGRRFEIW-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199137;MM199137;C#CC(OC)OCC=O;UKZITYXMEGDKNW-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199138;MM199138;C#CC(CN)ONC=N;YEJMXPHULPULPW-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199139;MM199139;C#CC(CO)ONC=N;FDQYNEDJVSGZPC-UHFFFAOYSA-N;128.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199140;MM199140;C#CC(CO)ONC=O;BEZSICKLHOFCOR-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199141;MM199141;C#CC(OC)ONC=N;AVGAWJMBISRQKD-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199142;MM199142;C#CCCC(C#C)CC;SZJRNRUOXNLQAY-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199143;MM199143;C#CCCC(C#C)CN;OQYOCETVXNICDL-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199144;MM199144;C=C(CO)N(O)C=NNC;QNDKTIYUKWFCFB-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199145;MM199145;C#CCCC(C#C)CF;MPOLKGSSXMSYKS-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199146;MM199146;C#CCCC(C#C)NC;CDMMQHQQLKLNDI-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199147;MM199147;C#CCCC(C#C)OC;URFVJHPLGATZSI-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199148;MM199148;C#CCNC(C#C)CN;ZJIZHKZEZAUPPS-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199149;MM199149;C#CCOC(C#C)CC;PRQINHQIEWVYFK-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199150;MM199150;C#CCOC(C#C)CF;DGAXARFKOHGBHW-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199151;MM199151;C=CC(C=C)CCCC;IMDGWRFUYRLHMX-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199152;MM199152;C=CC(C=C)CCCN;PNFFBEQXOMLLOU-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199153;MM199153;CNN=CC#CC(=O)NC;ITWKHYBVFDDYPF-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199154;MM199154;C=CC(C=C)CCCF;GDCHXOPONTXDIS-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199155;MM199155;C=CC(C=O)CCCC;NJBOKMAZBWKBIZ-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199156;MM199156;C=CC(C#N)CCCC;HVGAZBFAVHSHJI-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199157;MM199157;C=CC(C=O)CCCF;WTUMJEXJRHUGLP-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199158;MM199158;C=CC(C#N)CCCF;HAWNCCVSPKGNHL-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199159;MM199159;CCCCC(C#N)C#N;IHHJYYHYSAGXEE-UHFFFAOYSA-N;122.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199160;MM199160;N#CC(C#N)CCCO;LJTSDCOJJVSUJU-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199161;MM199161;C=CC(C=C)CCOC;VVDKFHWVUMJVOJ-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199162;MM199162;C=CC(C=O)CCOC;VLSJANHNABTWIA-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199163;MM199163;C=CC(C#N)CCOC;DJMLQSOCUZYMLK-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199164;MM199164;COCCC(C=O)C=O;LHDMWJUVUKJILF-UHFFFAOYSA-N;130.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199165;MM199165;C=CC(C=C)CNCC;BXQHWFLKFMGLBP-UHFFFAOYSA-N;125.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199166;MM199166;Nn1nc(CO)n(N)c1=O;ISKOYNGUIBJVIC-UHFFFAOYSA-N;145.12;-3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199167;MM199167;C=CC(C=C)COCC;GYSFQARBUPHMEZ-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199168;MM199168;C=CC(C=O)COCC;IGUDKCJFRJBLHC-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199169;MM199169;C=CC(C#N)COCC;HRVUXYBVVSBOAM-UHFFFAOYSA-N;125.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199170;MM199170;C=CC(C=C)NCCC;UJYDLNRDAGMZOZ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199171;MM199171;C=CC(C=C)NCCN;BUTBMFXZDKTFEO-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199172;MM199172;C=CC(C#N)NCCC;JTCCDBZQTVOYKU-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199173;MM199173;C=NN(C=N)C(CO)=NN;KREJBEVSOVAYNN-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199174;MM199174;C=CC(C=O)NCCF;KILLIRDIUNETHS-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199175;MM199175;C#CC(CO)ON=CCO;KJEOJPCOMOAHIP-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199176;MM199176;CNC(=NOC=NN)NO;ZWXGOPLXRCBUJB-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199177;MM199177;C=NN(C=O)C(=O)NCC;DAPWPUTVDWNORN-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199178;MM199178;O=CC(C=O)NCCF;AGSLKBNYUOJHHK-UHFFFAOYSA-N;133.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199179;MM199179;NN=C1CC=C(NC=O)C1;ZVYGITPPGUAAKL-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199180;MM199180;C=CC(C=C)OCCC;OKIOXWKBYKYBQX-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199181;MM199181;C=CC(C=C)OCCN;ACZFDRPZVUMDEJ-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199182;MM199182;C=CC(C=C)OCCO;IJEGCNAHTOXKBO-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199183;MM199183;C=CC(C=C)OCCF;JNWHTLUPAFLQBB-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199184;MM199184;C=CC(C=O)OCCC;XPFXVIQOTHLIJJ-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199185;MM199185;C=CC(C#N)OCCC;CXCSYTHIMFJADV-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199186;MM199186;C=CC(C#N)OCCF;PFQMCKGZWJLAGV-UHFFFAOYSA-N;129.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199187;MM199187;CCCOC(C=O)C=O;CXPCHKMUPRGOJI-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199188;MM199188;CCCOC(C#N)C=O;QLXAJEFQRVIKKG-UHFFFAOYSA-N;127.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199189;MM199189;N#CC(C=O)OCCO;XEIUTCOHMXIOEN-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199190;MM199190;N#CC(C#N)OCCO;LUCPWIRKTNXCBU-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199191;MM199191;O=CC(C=O)OCCF;YKLNOODLJJQALU-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199192;MM199192;N#CC(C=O)OCCF;SIAIKYUXGHMFFM-UHFFFAOYSA-N;131.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199193;MM199193;COCOC(C=O)C=O;OQXBCLFFLTTZPU-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199194;MM199194;COCOC(C#N)C=O;AYXADRQTTYKNOJ-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199195;MM199195;COCOC(C#N)C#N;OWVJOJCUWUUCJA-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199196;MM199196;C=CN(C=N)CCCC;UTUJOWHZVCVNJL-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199197;MM199197;C=CN(C=N)CCCN;JRBNQACKUHAGRU-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199198;MM199198;C=CN(C=O)CCCC;VKMXLLWYOWZPFP-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199199;MM199199;C=CN(C=O)CCCN;SEIHSABFFXZHQC-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199200;MM199200;N=CN(C=N)CCCN;WVQCDADVAVOTFM-UHFFFAOYSA-N;128.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199201;MM199201;N=CN(C=N)CCCO;XWJMXCCSUATFHF-UHFFFAOYSA-N;129.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199202;MM199202;N=CN(C=O)CCCN;KILMXDRCQDMPCI-UHFFFAOYSA-N;129.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199203;MM199203;C=CCc1nc(CC)c[nH]1;VFINKLKFGMPFHQ-UHFFFAOYSA-N;136.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199204;MM199204;NCCCN(C=O)C=O;IMKCDWBGRZYJIG-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199205;MM199205;O=CN(C=O)CCCO;XLGVTXLVXHYFBD-UHFFFAOYSA-N;131.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199206;MM199206;C=CN(C=N)CCNC;LQFZWGNESXEQAP-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199207;MM199207;C=CN(C=O)CCNC;SZOKLOJPOROSRB-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199208;MM199208;CNCCN(C=N)C=N;RLOGIHVLLUYOHH-UHFFFAOYSA-N;128.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199209;MM199209;CNCCN(C=N)C=O;POMDICASPNSQLK-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199210;MM199210;CNCCN(C=O)C=O;KVDOAWOHCLUQNL-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199211;MM199211;C=CN(C=N)CCOC;LWNAAHXRSJIQBA-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199212;MM199212;COCCN(C=N)C=N;FSNUZWKKDCICDR-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199213;MM199213;COCCN(C=O)C=O;FUCIJQBNSAOYDE-UHFFFAOYSA-N;131.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199214;MM199214;C=NN(C=N)CCCN;TYACBSYUTULDTD-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199215;MM199215;N#CC1NC1CC(F)C=O;DFCFPJXSVCWQEA-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199216;MM199216;C=NN(C=O)CCCN;UWUIFLBGFOUVFD-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199217;MM199217;OCC#CCON=CCO;BTZHCMMDNZLGNA-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199218;MM199218;C=NN(C=O)CCNC;KKSGQAYGHAXIST-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199219;MM199219;C=NN(C=O)CCOC;XQNVKUACIPTCJT-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199220;MM199220;C=CN(C=N)NCCC;JRPMZIHKCCPKEP-UHFFFAOYSA-N;127.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199221;MM199221;C=CN(C=N)NCCN;DKFNGNLYDAHMHN-UHFFFAOYSA-N;128.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199222;MM199222;C=CN(C=N)NCCO;DMCHBMIYNPCNKG-UHFFFAOYSA-N;129.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199223;MM199223;C=CN(C=O)NCCN;RCWWWGGRCARZFG-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199224;MM199224;Nc1coc(N)n1;OQWMNEVFNLKGMJ-UHFFFAOYSA-N;99.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199225;MM199225;N=CN(C=N)NCCN;MOGZNZDVABTTFY-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199226;MM199226;N=CN(C=N)NCCO;CMTWHEQNPFHIOM-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199227;MM199227;N=CN(C=O)NCCN;GCBWXTCDBASTHW-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199228;MM199228;NCCNN(C=O)C=O;SJUCHZGQVYUUNX-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199229;MM199229;C=COc1cn[nH]c1;MFXIKMQPNNMEQZ-UHFFFAOYSA-N;110.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199230;MM199230;C=CN(C=N)OCCN;WZPZUOSRENPMMF-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199231;MM199231;C=CN(C=N)OCCO;ZUDCCRVPTMIREJ-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199232;MM199232;C=CN(C=O)OCCN;DGCKODNUAPKEAF-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199233;MM199233;C=CN(C=O)OCCO;WLPXZNLBNIAZJP-UHFFFAOYSA-N;131.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199234;MM199234;CCCON(C=N)C=O;CIUHRIKSLQUSSD-UHFFFAOYSA-N;130.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199235;MM199235;N=CN(C=O)OCCN;LHTXPLLXCHDTJA-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199236;MM199236;NN=CCC(O)C=NN;CAONQBDGRZOSSP-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199237;MM199237;NCCON(C=O)C=O;BJSXPNFVNZIQGZ-UHFFFAOYSA-N;132.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199238;MM199238;O=CN(C=O)OCCO;UGRONZRNPYFRLR-UHFFFAOYSA-N;133.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199239;MM199239;COCON(C=N)C=O;KWDDWVDHXCGFTH-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199240;MM199240;COCON(C=O)C=O;PBTLCQBAGVNRNX-UHFFFAOYSA-N;133.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199241;MM199241;C=CCCC(C=C)C=C;KXLOIBQHPSHBFJ-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199242;MM199242;C=CC(C=C)CCC#N;DYDDDHIWLGPXDU-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199243;MM199243;C=CCCC(C=C)C=O;JLVNODFSKQLVMK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199244;MM199244;C=CCCC(C#N)C=C;QIKIFOCNCRJXAX-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199245;MM199245;C=CC(C=O)CCC=O;OVABQFCXNHSRRS-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199246;MM199246;C=CC(C#N)CCC=O;VDDMJDPHJDTUCY-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199247;MM199247;C=CC(C#N)CCC#N;HVHITOUYHMPLNV-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199248;MM199248;C=CCCC(C=O)C=O;BGIAJIFJMPZVMT-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199249;MM199249;C=CCCC(C#N)C#N;XWYYZNRSHJHRQL-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199250;MM199250;O=CCCC(C=O)C=O;KUAPETJWSCRJET-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199251;MM199251;C=CC(C=C)CNC=N;KCVUJQVJAKRFHJ-UHFFFAOYSA-N;124.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199252;MM199252;NC(=O)N(N)C(=O)CF;QOUAMWQVRLHRAY-UHFFFAOYSA-N;135.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199253;MM199253;N#CC(C=O)CNC=N;GDYMFMZUIHRFBA-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199254;MM199254;N#CC(C=O)CNC=O;BQJIWKMFWYQHAG-UHFFFAOYSA-N;126.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199255;MM199255;C=CC(C=C)CNN=C;BSUKHTIINXWIBJ-UHFFFAOYSA-N;124.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199256;MM199256;C=COCC(C=C)C=C;SEKNDJVYCVJIHW-UHFFFAOYSA-N;124.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199257;MM199257;C=CC(C=C)COC=O;WGSJQQYYUZJJKY-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199258;MM199258;C=COCC(C=C)C=O;OTRQZQQMIQCRBA-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199259;MM199259;C=COCC(C#N)C=C;QMSPMNUMFWDZEQ-UHFFFAOYSA-N;123.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199260;MM199260;C=CC(C#N)COC=O;GINFYCMASNZLCT-UHFFFAOYSA-N;125.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199261;MM199261;C=CC(C=C)CON=C;BGDZWIZLTRJTTQ-UHFFFAOYSA-N;125.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199262;MM199262;C=CC(C#N)CON=C;LDAXYTFBVKWRRG-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199263;MM199263;C=CCNC(C=C)C=C;QCRMHMKRXWTUNI-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199264;MM199264;C=CC(C=C)NCC#N;SMLKZTKQORSDTR-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199265;MM199265;C=CCNC(C#N)C=C;RALBOQMIVMHQOX-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199266;MM199266;C=NNCC(F)C(C)O;DRNFAYASSGZMJQ-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199267;MM199267;C=CC(C#N)NCC#N;QJIOMUYGAZVVSJ-UHFFFAOYSA-N;121.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199268;MM199268;NN1CC2(O)CC2C1=O;RTKCTFAUNXFAME-UHFFFAOYSA-N;128.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199269;MM199269;N#CC(C#N)NCC=O;JJPIYWRMYFIALK-UHFFFAOYSA-N;123.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199270;MM199270;N#CCNC(C#N)C#N;ZYHLPNBBFZSZKW-UHFFFAOYSA-N;120.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199271;MM199271;C=CC(C=C)NNC=N;OEAPJCXYHLPORJ-UHFFFAOYSA-N;125.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199272;MM199272;N#Cc1c[nH]c(N)c1F;NXUMEBOSURIZFL-UHFFFAOYSA-N;125.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199273;MM199273;C=CC(C=O)NNC=N;ADDHVFIYOUIMBG-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199274;MM199274;C=CC(C#N)NNC=N;MPZMQXMTUXPFGH-UHFFFAOYSA-N;124.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199275;MM199275;C=CC(C=O)NNC=O;NEXDTVJLYAKMDR-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199276;MM199276;C=CC(C#N)NNC=O;HYSIHVLIRWRSJU-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199277;MM199277;N#CC(C=O)NNC=N;ZGYFBGIZMMBYIA-UHFFFAOYSA-N;126.12;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199278;MM199278;N#CC(C#N)NNC=N;OOSIGSWEOZTAHC-UHFFFAOYSA-N;123.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199279;MM199279;O=CNNC(C=O)C=O;NRQUIBDQGYNRLS-UHFFFAOYSA-N;130.1;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199280;MM199280;N#CC(C=O)NNC=O;SDBFYZBNGUFNFL-UHFFFAOYSA-N;127.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199281;MM199281;C=CCOC(C=C)C=C;STWNYONTGKULMS-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199282;MM199282;C=CC(C=C)OCC=O;CLXIROQJJQKMQU-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199283;MM199283;C=CC(C=C)OCC#N;LEYQAVQAQFKDFZ-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199284;MM199284;C=CCOC(C=C)C=O;JTERWKYPHXJECX-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199285;MM199285;C=CCOC(C#N)C=C;LXECNCLJNYMJBA-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199286;MM199286;C=CCOC(C#N)C#N;ZXRQVMHVGMGESP-UHFFFAOYSA-N;122.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199287;MM199287;N#CC(C=O)OCC=O;RXHOMUHXRVWWFA-UHFFFAOYSA-N;127.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199288;MM199288;N#CCOC(C#N)C=O;ANNHWKAUWFDQRP-UHFFFAOYSA-N;124.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199289;MM199289;N#CC(C#N)OCC=O;FIUHOEXUAHHBTF-UHFFFAOYSA-N;124.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199290;MM199290;C=CC(C=C)ONC=N;SFCUUCOFIXXYQG-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199291;MM199291;C=CC(C=O)ONC=O;HALYKQVHPQBTHT-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199292;MM199292;N#CC(C=O)ONC=N;JDNRCAMSYQQQPO-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199293;MM199293;N#CC(C#N)ONC=N;DEGISOSLPYUDJC-UHFFFAOYSA-N;124.1;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199294;MM199294;N#CC(C=O)ONC=O;QZYFVGVIMXRXKP-UHFFFAOYSA-N;128.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199295;MM199295;C=CCCN(C=C)C=N;WBHFPAOLPWOXRJ-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199296;MM199296;C=CCCN(C=C)C=O;CIRSFMCPKHGVAI-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199297;MM199297;C=CN(C=O)CCC=O;FAADWTDDGSCAPA-UHFFFAOYSA-N;127.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199298;MM199298;CNC(=O)C(C#N)NC;BGSMXLKOTDEUMD-UHFFFAOYSA-N;127.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199299;MM199299;N#CCCN(C=O)C=O;LBYJHAHNBFTBBZ-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199300;MM199300;C=CN(C=N)NCC=O;LGWOKZLJPVOBOB-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199301;MM199301;N=CN(C=N)NCC=O;FWYNWQYBOCJHQT-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199302;MM199302;C=CC12CNC(=O)C1N2;ZYYOUPNVEWKNRM-UHFFFAOYSA-N;124.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199303;MM199303;OC1C=CC2(CF)NC12;XYLDLYNYWVTTRC-UHFFFAOYSA-N;129.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199304;MM199304;C=NN=C(N)NC(=N)C#N;URMOKPFZTXTLNA-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199305;MM199305;N#CCON(C=N)C=O;RIXHWTNHBXMFRI-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199306;MM199306;O=CCON(C=O)C=O;UCGGPSAXINDIBV-UHFFFAOYSA-N;131.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199307;MM199307;C#CCCC(C=C)C=C;ZHRKTZHPGHKUNZ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199308;MM199308;C#CCCC(C=C)C=O;CSGWSFHUEBGYEN-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199309;MM199309;C#CCCC(C#N)C=C;VGYBGXQSQCYMGE-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199310;MM199310;C#CCCC(C=O)C=O;XBAXAQHIBRWNSL-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199311;MM199311;C#CCCC(C#N)C#N;HDHVXVYHRFIYII-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199312;MM199312;CC1NC2(C#N)CC1(O)C2;SPMYTPFJUDJJOH-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199313;MM199313;CNN=CCC(O)C=NN;MMKCRRGPWYLITI-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199314;MM199314;C#CCOC(C=C)C=C;MNFCOKKRMJJITC-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199315;MM199315;C#CCOC(C=O)C=O;SUEDNGHLPWDQDW-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199316;MM199316;C#CCOC(C#N)C=O;OHKACQFXHWNCSB-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199317;MM199317;C#CCCN(C=C)C=N;XFRWUACODDTDIH-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199318;MM199318;C#CCCN(C=N)C=N;DKCNFMJSVABIHA-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199319;MM199319;C#CCCN(C=N)C=O;IIVSZTKYZKOJJU-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199320;MM199320;C#CCCN(C=O)C=O;KYGHHEFDTNPFQZ-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199321;MM199321;C#CCNN(C=C)C=N;GEPIKHLNGBZJDQ-UHFFFAOYSA-N;123.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199322;MM199322;C#CCNN(C=C)C=O;HWEQMBFMMYQQCT-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199323;MM199323;C#CCNN(C=N)C=O;RRTZUSPETBLFPM-UHFFFAOYSA-N;125.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199324;MM199324;C#CCNN(C=O)C=O;HEZSUDMGORCTSO-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199325;MM199325;C#CCON(C=C)C=N;CLWPAVUFENAGLY-UHFFFAOYSA-N;124.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199326;MM199326;C#CCON(C=C)C=O;FMRNVOKXRZNBLT-UHFFFAOYSA-N;125.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199327;MM199327;C#CCON(C=N)C=O;AMJAYWAWJPHIAN-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199328;MM199328;C#CC(C=C)CCCC;PCGMWTMQJZUHDK-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199329;MM199329;C#CC(C=C)CCCN;NMXSEDHPPZWIGP-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199330;MM199330;C=CC(O)C1NC1(C)C#N;AQZSZQRZKIYCJA-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199331;MM199331;C#CC(C=O)CCCC;PKCFYJRHZDAXMA-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199332;MM199332;C#CC(C#N)CCCC;UBQQOAAEANCTQC-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199333;MM199333;C#CC(C#N)CCCO;SNIKODUWIQBTFQ-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199334;MM199334;C#CC(C=C)CCOC;BPBYSFNSCSOLMV-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199335;MM199335;C#CC(C#N)CCOC;KDBSWFSTYQAAKX-UHFFFAOYSA-N;123.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199336;MM199336;C#CC(C=C)CNCC;FXFKFHAAYBRDFV-UHFFFAOYSA-N;123.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199337;MM199337;C#CC(C=C)COCC;OQXGLHKUFICMMP-UHFFFAOYSA-N;124.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199338;MM199338;C#CC(C=O)COCC;KNMBGLRRKYHLGR-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199339;MM199339;C#CC(C=C)NCCC;OELFJDRMCGJQIF-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199340;MM199340;C#CC(C=C)NCCN;NMMNLAUEPBECIF-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199341;MM199341;N#CC(=N)N(O)CCCO;RVBNPANRODPTHJ-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199342;MM199342;N#CC(=N)N(O)CCC=O;ONGKVESWVJJEJG-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199343;MM199343;C#CC(C=C)OCCC;UGLBRXCIZOLTST-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199344;MM199344;C#CC(C=O)OCCC;IZYORFDKXHFGKM-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199345;MM199345;C#CC(C#N)OCCC;NFSBQGSWCOEJSB-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199346;MM199346;C#CC(C=O)OCCO;XNJPGJSOTNWIDQ-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199347;MM199347;C#CC(C#N)OCCO;RCWFMRXBGDUYMH-UHFFFAOYSA-N;125.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199348;MM199348;C#CC(C=O)OCCF;KHRRBXZBWZUOFO-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199349;MM199349;C#CC(C=C)OCOC;PYFSGOUHQWGYSS-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199350;MM199350;C#CC(C=O)OCOC;IOLVRIWRXFJGMQ-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199351;MM199351;C#CC(C=C)CCC=C;LCQZRTUNAJZZIJ-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199352;MM199352;C#CC(C=C)CCC=O;MNSCHZOLPZHGTQ-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199353;MM199353;C#CC(C=C)CCC#N;BRPYLAQMEPZGSE-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199354;MM199354;C#CC(C=O)CCC=C;GCZANSSGLYOOJU-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199355;MM199355;C#CC(C#N)CCC=C;HHBWHEYXDSOFPL-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199356;MM199356;C#CCCN(O)C(=N)C#N;VUDFQJLOVNYWNW-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199357;MM199357;C#CC(C=O)CNC=N;VEBPFRYNRAHNDK-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199358;MM199358;C#CC(C#N)CNC=N;LIYCPHCFJHMGDG-UHFFFAOYSA-N;121.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199359;MM199359;C#CC(C=O)CNC=O;GWYSCOYNVKCFLU-UHFFFAOYSA-N;125.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199360;MM199360;C#CC(C#N)CNC=O;KVXISCUSUBOFBM-UHFFFAOYSA-N;122.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199361;MM199361;C#CC(C=C)CNN=C;SRDMCLNOAQZXAE-UHFFFAOYSA-N;122.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199362;MM199362;CN(N=CCO)C(=N)CO;LBTOTIUIBPYASU-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199363;MM199363;C#CC(C=C)COC=C;ZPJXAPIFBMPIGN-UHFFFAOYSA-N;122.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199364;MM199364;C#CC(C=C)COC=O;DBPBHNDFHXAOND-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199365;MM199365;C#CC(C=O)COC=C;QDXSCUSIXJYPEM-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199366;MM199366;C#CC(C#N)COC=C;QRGPECHTZJWFDQ-UHFFFAOYSA-N;121.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199367;MM199367;C#CC(C#N)COC=O;QMVPPNKBJQWIBO-UHFFFAOYSA-N;123.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199368;MM199368;C#CC(C=C)CON=C;NQDXMWCLWQKSIQ-UHFFFAOYSA-N;123.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199369;MM199369;C#CC(C=C)NCC#N;LSJWQDNLYLFGPH-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199370;MM199370;CCCCNCC(=O)C#N;IIADIEUTHRNZIY-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199371;MM199371;OCC=NOCC(F)CO;ZVQREDJKVTXUBQ-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199372;MM199372;CNN(C)C(CO)=NOC;LQCHBTXMTROBJY-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199373;MM199373;C#CC(C=O)NNC=N;QRFRFILOCVHGEC-UHFFFAOYSA-N;125.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199374;MM199374;C#CC(C#N)NNC=N;IYOGFSMHTIPIFV-UHFFFAOYSA-N;122.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199375;MM199375;C#CC(C=O)NNC=O;VMSGGDMOMHHBPC-UHFFFAOYSA-N;126.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199376;MM199376;C#CC(C#N)NNC=O;SDHMPNJFPPNQII-UHFFFAOYSA-N;123.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199377;MM199377;C#CC(C=C)OCC=C;IXOAJUWYIKPZIF-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199378;MM199378;C#CC(C#N)OCC=C;RQKXFHJOPVGPNH-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199379;MM199379;C#CC(C=O)OCC=O;UNGATNNBYYPSMK-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199380;MM199380;C#CC(C=O)OCC#N;HJLNXKBIZXBGJH-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199381;MM199381;C#CC(C=O)ONC=N;GZDKFGYVMFDIRA-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199382;MM199382;C#CC(C#N)ONC=N;VOOBMEIOVPANTH-UHFFFAOYSA-N;123.12;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199383;MM199383;C#CC(C=O)ONC=O;DQTUDSGGGQXXJM-UHFFFAOYSA-N;127.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199384;MM199384;C#CCCC(C#C)C=C;FSYRXDUSDNWKLS-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199385;MM199385;C#CCCC(C#C)C=O;IJBDEVWOCCDSBT-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199386;MM199386;C#CCCC(C#C)C#N;IAYOWCCQIUBPBJ-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199387;MM199387;C#CCOC(C#C)C=C;FTOMKOMHFFPNIX-UHFFFAOYSA-N;120.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199388;MM199388;C#CCOC(C#C)C#N;UFXDSQKDUMMJBR-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199389;MM199389;C#CC(C#C)CCCC;SWWYGIAAVSJZFR-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199390;MM199390;C#CC(C#C)CCCN;KSGMUOWNZXZUKL-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199391;MM199391;C#CC(C#C)CCCO;PNEVEGKITBEOBO-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199392;MM199392;C#CC(C#C)CCCF;SXOUIQVIPJHVLN-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199393;MM199393;C#CC(C#C)CCOC;UEUAETAFVIIRHF-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199394;MM199394;C#CC(C#C)CNCC;AESMJRQNFQANIG-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199395;MM199395;C#CC(C#C)COCC;BRIZNXDDVWJZFN-UHFFFAOYSA-N;122.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199396;MM199396;C#CC(C#C)NCCN;BBCAMWVFVRTMCV-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199397;MM199397;C#CC(C#C)OCCC;OEIJQOYFVPFXPS-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199398;MM199398;C#CC(C#C)CCC=C;LIUVMTKSLKHEEQ-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199399;MM199399;C#CC(C#C)CCC=O;NQRKUKKMPRRGQW-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199400;MM199400;C#CC(C#C)CCC#N;VWGHOSFEHDIMNQ-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199401;MM199401;C#CC(C#C)CNC=N;YBEZXVQVOAOMKA-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199402;MM199402;C#CC(C#C)CNC=O;GWDMXAMPMPBZMJ-UHFFFAOYSA-N;121.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199403;MM199403;C#CC(C#C)CNN=C;IBPFNHKKBJMNNG-UHFFFAOYSA-N;120.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199404;MM199404;C#CC(C#C)COC=C;PMMCRGDNEOWRDC-UHFFFAOYSA-N;120.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199405;MM199405;C#CC(C#C)COC=O;VSKCXAFHDYKCEV-UHFFFAOYSA-N;122.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199406;MM199406;C#CC(C#C)CON=C;CKKDLSWVJGMOMH-UHFFFAOYSA-N;121.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199407;MM199407;C#CC(C#C)NNC=N;DIMBQKKFSWEHOB-UHFFFAOYSA-N;121.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199408;MM199408;C#CC(C#C)NNC=O;NUOGXNLXUMFJOZ-UHFFFAOYSA-N;122.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199409;MM199409;C#CC(C#C)OCC=C;KWKURUGABQEBHF-UHFFFAOYSA-N;120.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199410;MM199410;C#CC(C#C)ONC=O;VSRHSMJIPFBEAG-UHFFFAOYSA-N;123.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199411;MM199411;C#CCCC(C#C)C#C;DPEPURYABNHZPD-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199412;MM199412;C#CCOC(C#C)C#C;DVXSPQOLFOKECX-UHFFFAOYSA-N;118.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199413;MM199413;CC=CCC(CC)CC;DYOXOEIGGONUEO-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199414;MM199414;CCC(CC)CC=CF;UCBSSYCDHCSZSO-UHFFFAOYSA-N;130.21;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199415;MM199415;CC=CCC(CC)CN;HJJNIDBCGPNPJO-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199416;MM199416;CCC(CN)CC=CF;YTPNIZSBZHFXEO-UHFFFAOYSA-N;131.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199417;MM199417;C=NN1CC2(O)CC1C2C;WXXDYANHKYBLDL-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199418;MM199418;CCC(CF)CC=CF;VMZSDHFLMAANBN-UHFFFAOYSA-N;134.17;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199419;MM199419;CC=CCC(CN)CN;WPEQQINKKVXSHM-UHFFFAOYSA-N;128.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199420;MM199420;CC=CCC(CN)CF;VKIINVHGFVPBRF-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199421;MM199421;NCC(CF)CC=CF;OMAZXSQHSXDULT-UHFFFAOYSA-N;135.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199422;MM199422;CC=CCC(CO)CO;ALBWZMVUHUZZRH-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199423;MM199423;FC=CCC(CF)CF;YPYSIBPEBYFOAJ-UHFFFAOYSA-N;138.13;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199424;MM199424;CCC(CC)CC=NN;MSODVFFSQZKMDM-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199425;MM199425;N=c1n(O)ccc(=O)n1N;LFRJZJBDFAQQER-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199426;MM199426;Cn1c(=O)nc(CO)n1N;OWVQYGAHJFNZNJ-UHFFFAOYSA-N;144.13;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199427;MM199427;CCC(CF)CC=NN;CBRAAQLDRWBFRM-UHFFFAOYSA-N;132.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199428;MM199428;NCC(CO)CC=NO;VENPALOYBRYFNP-UHFFFAOYSA-N;132.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199429;MM199429;Cn1nc(CO)n(N)c1=O;YCQRGUZUXVENOP-UHFFFAOYSA-N;144.13;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199430;MM199430;OCC(CO)CC=NO;WJQMXIXKYAJGQF-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199431;MM199431;CC=CCC(CC)NC;HZUFUFQBVGCFMV-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199432;MM199432;CCC(CC=CF)NC;YXDYACALKJWPGL-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199433;MM199433;CC=CCC(CN)NC;JSDVDWSVOJLBAA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199434;MM199434;CC=CCC(CF)NC;KEOJGKLIHFIHPD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199435;MM199435;CNC(CF)CC=CF;MLBRSZPSMMDJCG-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199436;MM199436;CCC(CC=NN)NC;KIONKOSDTUERHL-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199437;MM199437;CNC(CN)CC=NO;MAPYEXGVHJQKLD-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199438;MM199438;CNC(CO)CC=NN;QZUAWUOOMUNYGO-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199439;MM199439;CNC(CO)CC=NO;MJYIAOPKTYMQOM-UHFFFAOYSA-N;132.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199440;MM199440;CC=CCC(CC)OC;DQCIBBBGFWSYGC-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199441;MM199441;CCC(CC=CF)OC;HWEJDVZLPIGHNQ-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199442;MM199442;CC=CCC(CO)OC;RTKBRYXRIQZWSA-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199443;MM199443;CCC(CC=NN)OC;OZVKYNPWHVSDKZ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199444;MM199444;NN=C(CO)NN=CNO;UFZRFCJPHIKTQF-UHFFFAOYSA-N;147.14;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199445;MM199445;CC=CCC(OC)OC;HVRTZYMKKYFPTO-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199446;MM199446;COC(CC=CF)OC;UXOGPNNGYLZTBI-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199447;MM199447;CCC(CC)N=CNC;AKKXQTZENHORHV-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199448;MM199448;CCC(CC)N=CNN;UDTMRILZQBNYGQ-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199449;MM199449;CCC(CF)N=CNN;XCLRAJZJEWUBGA-UHFFFAOYSA-N;133.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199450;MM199450;CN=CNC(CN)CN;OQNFLICBGDJTSX-UHFFFAOYSA-N;130.2;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199451;MM199451;CN=CNC(CN)CO;IMLOBSVMVSIBEQ-UHFFFAOYSA-N;131.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199452;MM199452;CN=CNC(CO)CO;QMAQRLQGOAJPAZ-UHFFFAOYSA-N;132.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199453;MM199453;CC=NNC(CC)CC;WUHSMQCWDNRPPI-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199454;MM199454;CC=NNC(CC)CN;HKZDOVBCWAZBFH-UHFFFAOYSA-N;129.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199455;MM199455;CC=NNC(CN)CN;IPTGRMRLBWRENV-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199456;MM199456;CCCc1cc(CF)[nH]n1;LNZCPQAELUJGKY-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199457;MM199457;OC12CC1CC1(CF)NC12;SDAKIDCCJUJUOT-UHFFFAOYSA-N;143.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199458;MM199458;CC=COC(CC)CC;YKSMDXZKWIVVTB-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199459;MM199459;CCC(CC)OC=CF;WZXKVHZHCJYAKN-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199460;MM199460;CC=COC(CC)CN;RRDXISBRIDZOKI-UHFFFAOYSA-N;129.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199461;MM199461;CCC(CN)OC=CF;IUSJYALTZQFQEV-UHFFFAOYSA-N;133.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199462;MM199462;CCC(CO)OC=CF;ZMBCJVSWLYUGFT-UHFFFAOYSA-N;134.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199463;MM199463;CC=COC(CC)CF;XPPDHUROBFCUBV-UHFFFAOYSA-N;132.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199464;MM199464;CCC(CF)OC=CF;MQZMSXWMVNHLMS-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199465;MM199465;CC=COC(CN)CN;DLYWDUKPEZQOOD-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199466;MM199466;CC=COC(CN)CO;RYQDANPYPAITMB-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199467;MM199467;NCC(CF)OC=CF;JZJCYZYQFNWJRK-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199468;MM199468;OCC(CO)OC=CF;HJGCNKSDVLVPRE-UHFFFAOYSA-N;136.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199469;MM199469;Nc1on(N)c2ncnc1-2;CICSREKPSOXJMK-UHFFFAOYSA-N;139.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199470;MM199470;CCC(CC)OC=NO;ARJJSDGYCBVDNW-UHFFFAOYSA-N;131.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199471;MM199471;CCC(CO)OC=NO;WXMXTHVPBIVCFD-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199472;MM199472;NCC(CN)OC=NO;KRHYJAAYFLKJMA-UHFFFAOYSA-N;133.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199473;MM199473;NCC(CO)OC=NO;OTZPHUGHGKNACI-UHFFFAOYSA-N;134.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199474;MM199474;CC1Oc2c1cn(C)c2N;DOQRNNBKOSCKKE-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199475;MM199475;OCC(CO)OC=NO;RGDCZBJRMOSADK-UHFFFAOYSA-N;135.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199476;MM199476;OCC(CF)OC=NO;QOMPOSAROMWCRH-UHFFFAOYSA-N;137.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199477;MM199477;Nc1ncco1;ACTKAGSPIFDCMF-UHFFFAOYSA-N;84.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199478;MM199478;CCC(OC)OC=CF;LIRXVJIDDPVFDU-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199479;MM199479;CC=COC(CN)OC;DFVMKXLXWIECDE-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199480;MM199480;COC(CN)OC=CF;ITQGYCQEIRIBRI-UHFFFAOYSA-N;135.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199481;MM199481;CC=COC(CO)OC;QANYRZUIFHZQEB-UHFFFAOYSA-N;132.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199482;MM199482;CC=COC(CF)OC;MUGFBUBLDJJWOS-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199483;MM199483;COC(CN)OC=NO;JAEMJESWZREWSA-UHFFFAOYSA-N;134.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199484;MM199484;CC=NOC(CC)OC;HDCYFYGMTORKIA-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199485;MM199485;CC=NOC(CF)OC;ANZHMJVIPPXYRY-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199486;MM199486;CC=CCN(CC)CC;JAGLTDLJKOOIND-UHFFFAOYSA-N;127.23;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199487;MM199487;CCN(CC)CC=CF;VZKILUPGYWCRPM-UHFFFAOYSA-N;131.19;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199488;MM199488;C=CC(CC)CC=CC;RWUPFTIFIOCWLZ-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199489;MM199489;C=CC(CC)CC=CF;WQEQBOBPGGJIIU-UHFFFAOYSA-N;128.19;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199490;MM199490;CC=CCC(C=O)CC;DACAFOJUSNEQJC-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199491;MM199491;CC=CCC(C#N)CC;YIERHUPCWOIYJV-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199492;MM199492;CCC(C=O)CC=CF;YCLSUXZIMVUGEQ-UHFFFAOYSA-N;130.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199493;MM199493;CCC(C#N)CC=CF;WRGCEBCTYOVHJG-UHFFFAOYSA-N;127.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199494;MM199494;C=CC(CN)CC=CC;HCHQANPBBMACSN-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199495;MM199495;C=CC(CN)CC=CF;XFILJDVFSVLSLK-UHFFFAOYSA-N;129.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199496;MM199496;Nc1c[nH]c(N=O)c1;OQFRBTJSOMEOLS-UHFFFAOYSA-N;111.1;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199497;MM199497;Nn1cnc(CO)c1;UCUMSMRJDFKHQY-UHFFFAOYSA-N;113.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199498;MM199498;N#CC(CO)CC=CF;IORLNOLLOIFTFR-UHFFFAOYSA-N;129.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199499;MM199499;C=CC(CF)CC=CF;MKZVKGUPSLNXKB-UHFFFAOYSA-N;132.15;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199500;MM199500;CC=CCC(C=O)CF;QVUSFHXXPLHZHD-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199501;MM199501;O=CC(CF)CC=CF;BPHBYADJCHKZGW-UHFFFAOYSA-N;134.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199502;MM199502;N#CC(CF)CC=CF;YHRWOCDRIKFEFU-UHFFFAOYSA-N;131.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199503;MM199503;C=CC(CC)CC=NN;YQKGDALNBFJHDT-UHFFFAOYSA-N;126.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199504;MM199504;C=CC(CC)CC=NO;WAFFFBSIYNYOTR-UHFFFAOYSA-N;127.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199505;MM199505;CCC(C=O)CC=NO;OLNKLZPDNRYZIX-UHFFFAOYSA-N;129.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199506;MM199506;CCC(C#N)CC=NO;VQQWVUPCNZFFQN-UHFFFAOYSA-N;126.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199507;MM199507;N#CC(CO)CC=NO;RUCPXZPYGMCIFK-UHFFFAOYSA-N;128.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199508;MM199508;C=CC(CF)CC=NN;ZKVGVBGUGGFXOA-UHFFFAOYSA-N;130.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199509;MM199509;C=CC(CF)CC=NO;DONDAUDYSACTPM-UHFFFAOYSA-N;131.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199510;MM199510;C=CC(CC=CC)NC;LDGQTDLCXFMSHU-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199511;MM199511;C=CC(CC=CF)NC;PNBVTDILKOYIKA-UHFFFAOYSA-N;129.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199512;MM199512;CC=CCC(C#N)NC;YLLCJZNCBCHTFD-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199513;MM199513;Cc1[nH]ncc1C=N;KPTBVJUZCKOQQP-UHFFFAOYSA-N;109.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199514;MM199514;C=CC(CC=CC)OC;XYAIJRBVOKKTJS-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199515;MM199515;C=CC(CC=CF)OC;OLEJFDOZRWEQRR-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199516;MM199516;C=CC(CC=NN)OC;PPUGLUZSSSOSLI-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199517;MM199517;C=CC(CC=NO)OC;XOPZTFNVCLYIIO-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199518;MM199518;C=CC(CC)N=CNC;YPSQEIGQILAGDZ-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199519;MM199519;C=CC(CC)N=CNN;CAMAIFNHRILBMW-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199520;MM199520;CCC(C#N)N=CNC;VYZPSVSPYHIPLP-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199521;MM199521;C=CC(CN)NC=NC;KUOGTESOIQADGE-UHFFFAOYSA-N;127.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199522;MM199522;C=CC(CO)NC=NC;BSXLPZVQNWVSDT-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199523;MM199523;CN=CNC(C=O)CO;OVNRIJWTYRSJEH-UHFFFAOYSA-N;130.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199524;MM199524;C=CC(CF)NC=NC;YQIBNQZKDUKAFE-UHFFFAOYSA-N;130.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199525;MM199525;C=CC(CC)NN=CC;BOBJORNPNRNHCK-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199526;MM199526;Nn1c(=O)c(F)cn1O;WNRPVXNSBFJMOQ-UHFFFAOYSA-N;133.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199527;MM199527;C=CC(CN)NN=CC;YVHCDIZNWRTPST-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199528;MM199528;C=NN1CC(=C)C(O)C1;MYUQQXDNNZLQEN-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199529;MM199529;CCCc1nc(N)n[nH]1;GCPOFDRZTYMDKK-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199530;MM199530;C=CC(CF)NN=CC;LKIWCZLKWXEGPK-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199531;MM199531;Cn1oc(=N)nc1CO;ISGYCIUJDJHSDK-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199532;MM199532;C=CC(CC)OC=CC;OQWSPNZOYSIXDA-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199533;MM199533;CC=COC(C=O)CC;OSCKBSBNWXRHPZ-UHFFFAOYSA-N;128.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199534;MM199534;CC=COC(C#N)CC;QXNQDJUZSMTAQS-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199535;MM199535;CCC(C#N)OC=CF;NOKVFNDOZUAYGJ-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199536;MM199536;C=CC(CN)OC=CC;KMSYWZYDNNJNMS-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199537;MM199537;C=CC(CO)OC=CC;JXNGPOJXACYLGB-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199538;MM199538;C=CC(CO)OC=CF;IUXOVKMOLFKECI-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199539;MM199539;N#CC(CO)OC=CF;USPNMHRTFADLBO-UHFFFAOYSA-N;131.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199540;MM199540;C=CC(CF)OC=CC;PIRIUJUFGULQOE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199541;MM199541;CC=COC(C#N)CF;DKYWSWJKFZRIPA-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199542;MM199542;N#CC(CF)OC=CF;CHDQMSKLQDVWCO-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199543;MM199543;N=c1n(O)ccn1C=O;FBXPNOCRUSQUAM-UHFFFAOYSA-N;127.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199544;MM199544;C=CC(CC)OC=NO;ALXKHKVMWDXNIN-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199545;MM199545;N#CC(CO)OC=NO;HTZDPWPHHMNBGO-UHFFFAOYSA-N;130.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199546;MM199546;N#CC(CF)OC=NO;GZSJOSXFNFWGQQ-UHFFFAOYSA-N;132.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199547;MM199547;C=CC(OC)OC=CC;RJPQLRQLGLZWOG-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199548;MM199548;C=CC(OC)OC=CF;SEFVICAMRKPYCI-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199549;MM199549;CC=COC(C#N)OC;UEGXPTXENRUCDS-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199550;MM199550;COC(C#N)OC=CF;JQHTWJJELMPKLI-UHFFFAOYSA-N;131.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199551;MM199551;C#CC1=NCC(C)N1O;RQEHVPSICDGOSL-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199552;MM199552;C=CC(CC)ON=CC;WDVJQDWIEXLDPB-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199553;MM199553;CCON=C(CO)NN;RRFZBGVYSYAAOM-UHFFFAOYSA-N;133.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199554;MM199554;CC=NOC(C#N)CC;VYRHVAONRZCRHT-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199555;MM199555;CNn1cnc(CO)c1;YDXDODGCFZBRBN-UHFFFAOYSA-N;127.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199556;MM199556;N=Nc1ccc(CO)[nH]1;DTCFANVIXZCYKA-UHFFFAOYSA-N;125.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199557;MM199557;CC=NOC(C#N)CF;MKNCMUDLIMUGQK-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199558;MM199558;C=CC(OC)ON=CC;WPSJMRUSWMMFII-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199559;MM199559;CC=CCN(C=O)CC;AFZZSWASPBZHNF-UHFFFAOYSA-N;127.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199560;MM199560;CCN(C=O)CC=CF;BPXXUGWLNYSNFC-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199561;MM199561;CCN(C=N)CC=NN;IZOGXZQEEMYMBB-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199562;MM199562;CCN(C=N)CC=NO;PIODATJGYOCWTM-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199563;MM199563;CCN(C=O)CC=NN;JKBXKUNIPSUNRJ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199564;MM199564;CCN(C=O)CC=NO;RTMCWPKUFULNQE-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199565;MM199565;C=NN(CC)CC=CC;DUGXWQPEFNYCFQ-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199566;MM199566;C=NN(CC)CC=CF;KBPACFVMRNTTPK-UHFFFAOYSA-N;130.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199567;MM199567;CNN(C=N)CC=CF;JQGUQTCVDRROER-UHFFFAOYSA-N;131.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199568;MM199568;CC=CCN(C=O)NC;JXEKUMPDRXCODO-UHFFFAOYSA-N;128.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199569;MM199569;CNN(C=O)CC=CF;WVIDSCRAANJXGK-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199570;MM199570;CNN(C=N)CC=NN;SLSJFJYZTZPOAL-UHFFFAOYSA-N;129.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199571;MM199571;CNN(C=O)CC=NN;JXCUUHAQRAALJC-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199572;MM199572;CNN(C=O)CC=NO;XSOQQHVDJSIYFC-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199573;MM199573;CON(C=O)CC=NN;YNQGROSHEPUWEM-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199574;MM199574;CCN(C=N)NC=NN;FROQVCMTEYGMSK-UHFFFAOYSA-N;129.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199575;MM199575;C#CC(CC)CC=CC;PVRMXLXDCIYUQJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199576;MM199576;C#CC(CC)CC=CF;WBKIUVRONFRRAQ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199577;MM199577;C#CC(CN)CC=CC;AAKQXRVIXVUIEH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199578;MM199578;C#CC(CF)CC=CF;AIRKTSCNYLPCCL-UHFFFAOYSA-N;130.14;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199579;MM199579;C#CC(CC)CC=NN;JNSMXXDODGPWJV-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199580;MM199580;C#CC(CC)CC=NO;YXCFYSAGSHCFBE-UHFFFAOYSA-N;125.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199581;MM199581;C#CC(CF)CC=NN;QHTBADWATXCUDI-UHFFFAOYSA-N;128.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199582;MM199582;C#CC(CC=NN)NC;WYPZVGNZYQNIOJ-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199583;MM199583;C#CC(CC=NO)NC;MTEKSKCXFAWMMB-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199584;MM199584;C#CC(CC=CC)OC;HLBYMKXGIKGMRB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199585;MM199585;C#CC(CC=CF)OC;OGMJRDVKAPXYMX-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199586;MM199586;C#CC(CC)N=CNC;AKTFHWSPUHYZSM-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199587;MM199587;C#CC(CO)NC=NC;KSQRWFKYAKYVGW-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199588;MM199588;CCc1cc(CF)[nH]n1;GNYOCKZIGFUONQ-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199589;MM199589;C#CC(CF)NC=NC;MNQFROPGTQIGSB-UHFFFAOYSA-N;128.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199590;MM199590;C#CC(CC)NN=CC;HPCSCDDTSSGCCF-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199591;MM199591;C#CC(CN)NN=CC;MJZIOQJGDPHZEL-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199592;MM199592;C#CC(CC)OC=CC;QLCYACVYQKTUOF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199593;MM199593;C#CC(CC)OC=CF;MRBWCFDXFAUDQD-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199594;MM199594;C#CC(CN)OC=CC;MVYFJMPTJKGCLK-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199595;MM199595;C#CC(CO)OC=CC;SDOODAQCPXSCKU-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199596;MM199596;C#CC(CF)OC=CC;LLSWRFIBNKYCOB-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199597;MM199597;C#CC(CF)OC=CF;GDSMYDRQRCBKMH-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199598;MM199598;CNC1=NOC(C)ON1;UJNXEAUUZAQTMH-UHFFFAOYSA-N;131.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199599;MM199599;C#CC(CC)OC=NO;NNBFQFYWSAZGRU-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199600;MM199600;C#CC(CN)OC=NO;PVIKBYIKLSTXML-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199601;MM199601;C#CC(OC)OC=CC;VJMPLUPOSURRDO-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199602;MM199602;C#CC(OC)OC=CF;YFEHLGNFBGWPBN-UHFFFAOYSA-N;130.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199603;MM199603;C#CC(CC)ON=CC;VVQCRVOUVIOSGU-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199604;MM199604;C#CC(CN)ON=CC;XBWHZSWJWBPVFZ-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199605;MM199605;C=CC(C=C)CC=CC;HPXGSRRZTYQEGV-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199606;MM199606;C=CC(C=C)CC=CF;MMMAWLOPONIMQC-UHFFFAOYSA-N;126.17;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199607;MM199607;C=CC(C=O)CC=CC;LBBGFBXNZFUZPV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199608;MM199608;C=CC(C#N)CC=CC;ASQFSDMZLMQWMO-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199609;MM199609;C=CC(C=O)CC=CF;KYIAKCXDUDXEML-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199610;MM199610;C=CC(C#N)CC=CF;BBQNBBSTKAOJAJ-UHFFFAOYSA-N;125.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199611;MM199611;N#CC(C#N)CC=CF;OWHKRCQSKBHUBO-UHFFFAOYSA-N;124.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199612;MM199612;C=CC(C=C)CC=NN;IRXXQOZIXDZQQG-UHFFFAOYSA-N;124.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199613;MM199613;C=CC(C=C)CC=NO;MSPZRWHKDPQYNV-UHFFFAOYSA-N;125.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199614;MM199614;C=CC(C#N)CC=NO;HIGYAEITAJPIBG-UHFFFAOYSA-N;124.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199615;MM199615;CCC12C=CC(O)C1N2;SNCFOOVEHGXFPE-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199616;MM199616;C=CC(O)C1NC1C#N;XZFMLULIXIZICW-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199617;MM199617;N#CC(C=O)NC=NO;HCRCXEICQKFQFJ-UHFFFAOYSA-N;127.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199618;MM199618;C=CC(C=C)NN=CC;CDCUXKYPBHVJHS-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199619;MM199619;CC1C(O)C1OC=NN;ZCGPRHTWVUEHLT-UHFFFAOYSA-N;130.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199620;MM199620;N=C(N=C(N)CO)C(N)=O;CUHULKCJXSBXTK-UHFFFAOYSA-N;144.13;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199621;MM199621;C=CC(C=C)OC=CC;RADPUOZXRRWONA-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199622;MM199622;C=CC(C=O)OC=CC;XQPJPYMLFMSYEY-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199623;MM199623;C=CC(C#N)OC=CC;AGNHBJGZEKIMBW-UHFFFAOYSA-N;123.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199624;MM199624;C=CC(C=O)OC=CF;XYPCUHODJOVZBK-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199625;MM199625;C=CC(C#N)OC=CF;SZESOPMVIDBZIR-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199626;MM199626;CC=COC(C=O)C=O;CVMNITLQHJAXIE-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199627;MM199627;CC=COC(C#N)C=O;MFAJQWLKICCXGM-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199628;MM199628;CC=COC(C#N)C#N;USPVTVCIEGJDGG-UHFFFAOYSA-N;122.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199629;MM199629;N#CC(C=O)OC=CF;KLQJYNHDKTUHJB-UHFFFAOYSA-N;129.09;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199630;MM199630;N#CC(C#N)OC=CF;ZPWFZHBNZVLADG-UHFFFAOYSA-N;126.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199631;MM199631;C=NN(C)CC(O)CC#N;IPXHISKMWQKNSV-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199632;MM199632;C=CC(C=C)ON=CC;ZEMUFVUMELFEGE-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199633;MM199633;C#CC(=C)CC(O)C=NN;YKQNTSOLLLVRCT-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199634;MM199634;C=CC(C#N)ON=CC;FNKJAQDSAWLNQQ-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199635;MM199635;C=CN(C=N)CC=CC;JOUOWPPREQVWBI-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199636;MM199636;C=CN(C=N)CC=CF;UMNSMHYEOBXBLJ-UHFFFAOYSA-N;128.15;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199637;MM199637;C=CN(C=O)CC=CC;ZYQWSKXKQQGMAY-UHFFFAOYSA-N;125.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199638;MM199638;C=CN(C=O)CC=CF;NNZDAWPUTKNQQI-UHFFFAOYSA-N;129.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199639;MM199639;N=CN(C=O)CC=CF;XETPCYBMGIYQRX-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199640;MM199640;C=CN(C=N)CC=NN;TZKCJKFQRGJJIR-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199641;MM199641;N=CN(C=N)CC=NN;LFECUDACGPVFDF-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199642;MM199642;N=CN(C=N)CC=NO;RJFDCSLSTUYXEH-UHFFFAOYSA-N;128.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199643;MM199643;N=CN(C=O)CC=NN;ZSGOMIATHVCXTJ-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199644;MM199644;NN=CCN(C=O)C=O;RJOSQNIDUNIEJJ-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199645;MM199645;O=CN(C=O)CC=NO;SLYJDPMGXMGCFW-UHFFFAOYSA-N;130.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199646;MM199646;C=NN(C=N)CC=NN;QPFALXOCDOONNS-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199647;MM199647;C=NN(C=N)CC=NO;VELLHAIIHBDXKB-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199648;MM199648;C=NN(C=O)CC=NN;CEKGMVHJNREWFE-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199649;MM199649;C=NN(C=O)CC=NO;PRNBWAOTFQJOQB-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199650;MM199650;C=CN(C=N)NC=NC;BOQQIZZVSZPKOQ-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199651;MM199651;C=CN(C=N)NC=NO;PXRGKAPIMFYPPD-UHFFFAOYSA-N;128.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199652;MM199652;CC(=O)CN(O)C(=N)C#N;ZUHVXVNYDWKACT-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199653;MM199653;C=CN(C=O)NC=NO;GBSUEEZLBWJLJQ-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199654;MM199654;CON=C(CO)NN(C)C;XQJJSCKOKNXTFC-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199655;MM199655;N=CN(C=O)NC=NO;HHBOHENXFYHMFF-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199656;MM199656;O=CN(C=O)NC=NO;PJZIXRKCRJOXQZ-UHFFFAOYSA-N;131.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199657;MM199657;NN=CN(O)CC#CCO;SDKZQBXGUVEOBA-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199658;MM199658;C=CN(C=O)OC=NO;SDPQJFVCTAUBLM-UHFFFAOYSA-N;130.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199659;MM199659;N=c1c(=O)oc(N)cn1O;CTLDXEYBOFOMDM-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199660;MM199660;O=CN(C=O)OC=NO;MWCRSACEMXMKCF-UHFFFAOYSA-N;132.08;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199661;MM199661;C#CC(C=C)CC=CC;MUZPMEVMKHTDSE-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199662;MM199662;C#CC(C=C)CC=CF;AQPZBTLYEYPBLB-UHFFFAOYSA-N;124.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199663;MM199663;C#CC(C=O)CC=CC;YJQLIUYTUJSYDX-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199664;MM199664;C#CC(C#N)CC=CC;QTEMKSCOMOIZJF-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199665;MM199665;C#CC(C#N)CC=CF;IZUZARARECQNPA-UHFFFAOYSA-N;123.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199666;MM199666;C#CC(C=C)CC=NN;LDHIDKVMKHCWIW-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199667;MM199667;C#CC(C=C)CC=NO;BTCHHTUWHJFCQR-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199668;MM199668;C#CC(C#N)CC=NO;LSKVLNRMTJUUHL-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199669;MM199669;C#CC(C=C)NC=NC;KAMQTAYFHFGSAD-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199670;MM199670;C#CC(C=O)NC=NO;OSBALYGJFSBNTF-UHFFFAOYSA-N;126.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199671;MM199671;C#CC(C#N)NC=NO;RVYLVKLBRYWQNZ-UHFFFAOYSA-N;123.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199672;MM199672;N=c1c(F)nc(F)cn1O;FWPQGTZEQPCGNX-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199673;MM199673;C#CC(C=C)OC=CC;WXXSAQGBIHLRDJ-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199674;MM199674;C#CC(C=C)OC=CF;JVXQLWWLWVZEMY-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199675;MM199675;C#CC(C=O)OC=CC;DSACMRWNFMLMLH-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199676;MM199676;C#CC(C#N)OC=CC;XZIFZPCVKDVRJK-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199677;MM199677;C#CC(C#N)OC=CF;MKXLSHZJGOAVGU-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199678;MM199678;C#CC(C#N)OC=NO;LXOHULZFDHUNDY-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199679;MM199679;C#CC(C=C)ON=CC;AEZUAEPVFLWVJT-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199680;MM199680;C#CC1(C)NC1C(O)C=C;MWQWOBKMJGFSKD-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199681;MM199681;C#CC(CC(O)CO)=NN;AODMIYAAFOEERL-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199682;MM199682;C#CC(C#C)CC=CC;LDWLZYYPZDAERE-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199683;MM199683;C#CC(C#C)CC=CF;DXCFNDVWJWCOMP-UHFFFAOYSA-N;122.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199684;MM199684;C#CC(C#C)CC=NN;SNWKDOZBCRAFPH-UHFFFAOYSA-N;120.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199685;MM199685;C#CC(C#C)CC=NO;KKTUEZWZKOMLFR-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199686;MM199686;C#CC(C#C)OC=CC;LKFZWWKTHVRQGF-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199687;MM199687;C#CC(C#C)OC=CF;TXQNZUVQGLDFOT-UHFFFAOYSA-N;124.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199688;MM199688;C#CC(C#C)ON=CC;WOJCBGUFTQHLEE-UHFFFAOYSA-N;121.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199689;MM199689;CC#CCC(CC)CC;LNBNVQGJYNVPIZ-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199690;MM199690;CC#CCC(CC)CN;PXVSDRKKSJHTAX-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199691;MM199691;CC(=O)ON=C(CO)NN;LKHNMMBQLRSEPH-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199692;MM199692;CC#CCC(CC)CF;AZJMKCYFOUOOQB-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199693;MM199693;CC#CCC(CN)CN;GVLPYTMMSXZBAI-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199694;MM199694;CC#CCC(CN)CF;OBQDKUXFMLFZMZ-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199695;MM199695;CC#CCC(CC)NC;OVFNWMRKVOFBNU-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199696;MM199696;CC#CCC(CN)NC;PDVZSECTUNOCDR-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199697;MM199697;CC#CCC(CF)NC;SRONVTNAOCMRTM-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199698;MM199698;CC#CCC(CC)OC;JTPJYGBFBBKQHA-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199699;MM199699;CC#CCC(CN)OC;JURISKNVXOYQIR-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199700;MM199700;CC#CCC(CO)OC;DORLREAIMRDZNU-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199701;MM199701;CC#CCC(CF)OC;CLBRSQGKVBPDFN-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199702;MM199702;CC#CCC(OC)OC;NHUSDWOZSVVUFB-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199703;MM199703;CC#CCN(CC)CC;GZDWCJZYZWTVCL-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199704;MM199704;C=CC(CC)CC#CC;PKNRSKUKZFFQCO-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199705;MM199705;CC#CCC(C=O)CC;FJADEUZDEMGYBC-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199706;MM199706;CC#CCC(C#N)CC;YEUZXMIWYMPNIN-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199707;MM199707;C=CC(CN)CC#CC;RFICZMKJHOXQDK-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199708;MM199708;CON=CC(O)CCC#N;ZHILTMYSZJAMMS-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199709;MM199709;C=CC(CF)CC#CC;DNROHZCURPFRNP-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199710;MM199710;CC#CCC(C=O)CF;BMARTRLSNOKQCD-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199711;MM199711;CC#CCC(C#N)CF;ZZONOZOSUSKDIN-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199712;MM199712;CC#CCC(C#N)NC;VQNXMXUWSQQSRT-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199713;MM199713;C=CC(CC#CC)OC;LNYZCCTWACSTHP-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199714;MM199714;CC#CCC(C=O)OC;HGZQYPWTYDWRSO-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199715;MM199715;CC#CCC(C#N)OC;MNXJVVUZLTZXMI-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199716;MM199716;CC#CCN(C=N)CC;IXZGMIJYWQJKEI-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199717;MM199717;C=NN(CC)CC#CC;YOTMWAQLTCIVOX-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199718;MM199718;C#CC(CC)CC#CC;NHGAPHIYHRBIQJ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199719;MM199719;C#CC(CN)CC#CC;NGNDPYMAMBXLQW-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199720;MM199720;C#CC(CF)CC#CC;BTDPEEAXXFCODI-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199721;MM199721;C#CC(CC#CC)NC;ZNQQQLZIIUDQHG-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199722;MM199722;C#CC(CC#CC)OC;XSQIOUFEVSZAMH-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199723;MM199723;C=CC(C=C)CC#CC;MMNCQMLDQGNELS-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199724;MM199724;C=CC(C=O)CC#CC;KDBPIKCQVOWADK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199725;MM199725;C=CC(C#N)CC#CC;IXKMWFXXUYGCHC-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199726;MM199726;CC#CCN(C=O)C=O;DRYYIGLYFJXDHF-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199727;MM199727;C#CC(C=C)CC#CC;HFJMQXDWFMOPOX-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199728;MM199728;C#CC(C=O)CC#CC;BYNJSRKYZGJGHL-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199729;MM199729;C#CC(C#N)CC#CC;XDKDCJKCNFYVPR-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199730;MM199730;C#CC(C#C)CC#CC;PHLLEHWQFXOCAG-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199731;MM199731;CC=C(CC)CCCC;JUUIRFQGSUFDPY-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199732;MM199732;CC=C(CC)CCCN;YHOMSVBPWFLZMO-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199733;MM199733;C=CC(=C)C(O)CNN=C;YMYCUYSEHHQHHO-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199734;MM199734;CC=C(CC)CCCF;SKVZHTLRLXTMHC-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199735;MM199735;CCCCC(=CF)CC;XDAGVAVOERNJQQ-UHFFFAOYSA-N;130.21;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199736;MM199736;CNC(=O)C(F)CC=NN;RVMVZZGQRLRMAI-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199737;MM199737;CCC(=CF)CCCF;LEKZEUDBABDOHF-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199738;MM199738;CC=C(CN)CCCC;KCDSTXPRXNRJSQ-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199739;MM199739;CC=C(CN)CCCF;NVXDPENRGKUTKA-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199740;MM199740;CCCCC(=CF)CN;KCXWMKXCHAQFFL-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199741;MM199741;NCCCC(=CF)CN;KAGYDQOTMARFJC-UHFFFAOYSA-N;132.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199742;MM199742;C=C(CO)N(O)C=NC=N;QEJVPVGRPXGVNR-UHFFFAOYSA-N;143.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199743;MM199743;CC=C(CO)CCCN;DYXSEGNFVOERLP-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199744;MM199744;C=CC(O)C(=C)C=NOC;HLJPGTREZTZRLH-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199745;MM199745;CC=C(CF)CCCC;LJRYIYBZKOGJHQ-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199746;MM199746;CC=C(CF)CCCN;UKKNOXNZQUFPAI-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199747;MM199747;CC=C(CF)CCCF;PIIGDIYTMZJAFH-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199748;MM199748;NCCCC(=CF)CF;JTHQDLBCHVONBP-UHFFFAOYSA-N;135.16;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199749;MM199749;N=C(C=O)NC=CNC=O;TZCGQKOJBOIEMF-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199750;MM199750;FC=C(CF)CCCF;ICRYNENMCJDNRQ-UHFFFAOYSA-N;138.13;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199751;MM199751;CC=C(CC)CCNC;KBNVRUWFYCUVNQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199752;MM199752;CNCCC(=CF)CN;GFOPLQHQVOOLQM-UHFFFAOYSA-N;132.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199753;MM199753;CNCCC(=CF)CF;HBDDJKSPVHRKCS-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199754;MM199754;CC=C(CC)CCOC;GSKUTMNHDNEEGJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199755;MM199755;CCC(=CF)CCOC;YPOATVPZELGUBD-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199756;MM199756;CC=C(CN)CCOC;WLXMLRQXINEMJI-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199757;MM199757;CC=C(CO)CCOC;HCMFRAQXWJNGBQ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199758;MM199758;CC=C(CF)CCOC;LFDDZPNGKXIMDC-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199759;MM199759;CCCCC(CC)=NN;AKBJFPACWUIFPO-UHFFFAOYSA-N;128.22;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199760;MM199760;CCCCC(CC)=NO;VRCWWHOADHLWNC-UHFFFAOYSA-N;129.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199761;MM199761;CCC(CCCF)=NO;SWYIITXZQFYDHS-UHFFFAOYSA-N;133.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199762;MM199762;NCCCC(CN)=NO;MQOJQXYYOCXRPY-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199763;MM199763;NCC(CCCO)=NO;WHBYSXTZBZWCBZ-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199764;MM199764;N#CC(=N)NC=CNC=O;GGRSYVOGSLYROF-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199765;MM199765;OCCCC(CO)=NO;NFBSIUNRLHUHQM-UHFFFAOYSA-N;133.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199766;MM199766;CCC(CCOC)=NN;BUUXXTFQPNSHBA-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199767;MM199767;CCCCC(=NC)NC;QJMYUQNURUHFBA-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199768;MM199768;CCCCC(=NN)NC;CCBBFFUWSMTHHC-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199769;MM199769;CNCCC(=NN)NC;XOJHJPHMVKJKPD-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199770;MM199770;CNCCC(=NO)NC;YVBARMZCALIXND-UHFFFAOYSA-N;131.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199771;MM199771;C=CC(=O)NC=CC=NN;QPROXBJGTPDAQM-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199772;MM199772;COCCC(=NO)NO;CJFUGAALRDHELL-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199773;MM199773;CC=C(CCCC)OC;UBPDSAMMDYGWHX-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199774;MM199774;CC=C(CCCN)OC;QKWDJWKGIVARJK-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199775;MM199775;CC=C(CCCO)OC;LHXXZCORIBALRM-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199776;MM199776;CC=C(CCCF)OC;JFDVIDCCWQVYRN-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199777;MM199777;CCCCC(=CF)OC;MACMSHYDRJUMGZ-UHFFFAOYSA-N;132.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199778;MM199778;CC=C(CCOC)OC;WBTGYVQLUHILKV-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199779;MM199779;COCCC(=CF)OC;DMUMNYMMSPZROV-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199780;MM199780;OCCON=CC(F)CO;JKUMHQGAAJCMBI-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199781;MM199781;CC=C(CC)CNCC;VMFPJDMQHYRHQC-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199782;MM199782;CC=C(CF)CNCC;GROOEWOKQPDEMW-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199783;MM199783;CCNCC(=CF)CF;SYUDABFLGIKWCD-UHFFFAOYSA-N;135.16;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199784;MM199784;CC=C(CNCC)OC;NCUWSWJTWGLFJD-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199785;MM199785;CCNCC(=CF)OC;MDBWZLFJMRFMOP-UHFFFAOYSA-N;133.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199786;MM199786;CC=C(CC)COCC;QFABFUZCXHSCEY-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199787;MM199787;CCOCC(=CF)CC;YQDUXLPOVCCQSR-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199788;MM199788;CC=C(CN)COCC;IKBYDFMZEKFZEC-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199789;MM199789;CC=C(CO)COCC;LGNCCDOCGCHWDD-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199790;MM199790;CCOCC(CC)=NN;JCUZPBLBLQNGCS-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199791;MM199791;CCOCC(CC)=NO;FWPLJSURZBKADQ-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199792;MM199792;C#Cc1onc(O)c1C;UKDXOSPXSSYSGW-UHFFFAOYSA-N;123.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199793;MM199793;CCN(N)C(CO)=NOC;DZTNIUKMJVXBFR-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199794;MM199794;CC=C(COCC)OC;CAAVPPFPCUDGIP-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199795;MM199795;CCOCC(=CF)OC;JGNGQKOUFHGBCP-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199796;MM199796;CCCN=C(CC)NC;VPHCOCWZMSYKQD-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199797;MM199797;CCC(=NCCF)NC;VAZQXPOKVWJCBO-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199798;MM199798;CCCN=C(CC)NN;NFMUQLCXCKVMKL-UHFFFAOYSA-N;129.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199799;MM199799;CCC(=NCCO)NO;PPXBCUMCFMJAEY-UHFFFAOYSA-N;132.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199800;MM199800;NCCN=C(CN)NO;YSBRFNFYGIVSOV-UHFFFAOYSA-N;132.17;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199801;MM199801;CCCN=C(CO)NC;CROUIPKMQBRGGP-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199802;MM199802;CN=C(CO)NCCN;WLHZLCCEWBJUOW-UHFFFAOYSA-N;131.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199803;MM199803;CN=C(CO)NCCO;AGACVWNBYPDJOT-UHFFFAOYSA-N;132.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199804;MM199804;C=NOC(C#N)C#CCO;CEXPJBKDXATBST-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199805;MM199805;CNN(C(=N)C#N)C(N)=O;ZEVPKZYSFSCFIP-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199806;MM199806;CN=C(NC)NCCN;RWHWTVCOLNSXFA-UHFFFAOYSA-N;130.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199807;MM199807;CNC(=NN)NCCO;MEQYUQVUHANPDO-UHFFFAOYSA-N;132.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199808;MM199808;NN=C(NN)NCCO;IBMYMYOQZZFVPV-UHFFFAOYSA-N;133.16;-2.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199809;MM199809;CN=C(NO)NCCF;HJESXCMPNGZDOI-UHFFFAOYSA-N;135.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199810;MM199810;COc1cn(O)n(N)c1=O;YNPSRVCYKPOYPS-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199811;MM199811;C#Cc1nc(O)n(C)c1N;TUILJCFZXWYDIQ-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199812;MM199812;CCCNC(=NC)OC;UDQNZEYEFZXASL-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199813;MM199813;CN=C(NCCN)OC;UYEBKOPNBNPTQT-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199814;MM199814;Cn1nnc(=N)nc1CO;QJWXKRYZGIIZOK-UHFFFAOYSA-N;141.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199815;MM199815;COC(=NO)NCCO;ZDLAHTYAUFOZOU-UHFFFAOYSA-N;134.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199816;MM199816;CCNN=C(CO)NC;TVKPJTZKNDDBPJ-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199817;MM199817;CN(OC=O)C(CO)=NN;ZXGLRTYBGJEBHZ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199818;MM199818;CCNNC(=NN)NN;RUFSWVUJMAVGCA-UHFFFAOYSA-N;132.17;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199819;MM199819;CCNNC(=NC)NO;SNIFBGZDHSUWIY-UHFFFAOYSA-N;132.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199820;MM199820;C=C1CNN(C=O)CC1O;RWMXNJYHFZFHKW-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199821;MM199821;CCON=C(CC)NN;NPBVKKNJCYCXBB-UHFFFAOYSA-N;131.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199822;MM199822;C=Cc1cc(C=CC)n[nH]1;MOXZSYISBJCFJA-UHFFFAOYSA-N;134.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199823;MM199823;CN=c1nc(CO)n(C)o1;ZIGOWEZPPNIXFV-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199824;MM199824;Cn1oc(=NN)nc1CO;UTXRMFBLMRSMMG-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199825;MM199825;CCON=C(CF)NC;ZQVCQRJYUGQYLU-UHFFFAOYSA-N;134.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199826;MM199826;CCONC(=NN)NC;IEDUWTUFXKNGSS-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199827;MM199827;CC=C(CC)OCCC;MENSTMNPQLROGS-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199828;MM199828;CC=C(CC)OCCN;FZFIHIMSNXDHIT-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199829;MM199829;CC=C(CC)OCCO;TVWKFLFFPSKBSU-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199830;MM199830;CC=C(CC)OCCF;GUJUFQFRNYEZNR-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199831;MM199831;CC=C(CN)OCCC;JLGIEOUEBIQVST-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199832;MM199832;CC=C(CN)OCCN;KHKQPIQHEOXMMP-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199833;MM199833;CC=C(CN)OCCF;CZABOIYPKZPRNA-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199834;MM199834;NCC(=CF)OCCF;QOCFSMDCXAVJNC-UHFFFAOYSA-N;137.13;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199835;MM199835;CC=C(CO)OCCC;RDPLWSKLHMZCNW-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199836;MM199836;CC=C(CO)OCCN;PLVIISYOJXFMNH-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199837;MM199837;CC=C(CO)OCCF;LTRRSYNZBJAMIN-UHFFFAOYSA-N;134.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199838;MM199838;CCCOC(=CF)CO;CEUUNJYQIJQDQQ-UHFFFAOYSA-N;134.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199839;MM199839;NCCOC(=CF)CO;JDUPFJMZTSFGHP-UHFFFAOYSA-N;135.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199840;MM199840;CC=C(CF)OCCC;IRBVDJUHQZZXJG-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199841;MM199841;CC=C(CF)OCCF;SODNYQOUCZWUBV-UHFFFAOYSA-N;136.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199842;MM199842;FC=C(CF)OCCF;ISENYLUFXQTODV-UHFFFAOYSA-N;140.1;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199843;MM199843;CC=C(CC)OCOC;NIZYZJXDCLHPIR-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199844;MM199844;CCC(=NO)OCCN;TXIINWQQKDJHPE-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199845;MM199845;CCC(=NO)OCCO;MCGXTNALPVSBFN-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199846;MM199846;N=Cn1onc(NO)c1=N;RVUPVFLPSBXMNO-UHFFFAOYSA-N;143.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199847;MM199847;C#CC1C(C(O)C=C)N1C;VAIRBOQUDXJTES-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199848;MM199848;CON=CNC=CNC=O;ADBOTRFDBXDFHQ-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199849;MM199849;C=CC1=NN=C(CO)NN1;UJNLMUUPDMBCGC-UHFFFAOYSA-N;140.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199850;MM199850;C#CCC(=O)NOC=NO;VVXRQZQPIYHVPF-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199851;MM199851;C=Cc1ncc(O)o1;KYSSHEPWHATBLM-UHFFFAOYSA-N;111.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199852;MM199852;OCC12CC1C(NO)=NO2;ZWEAIHCSEMCJCR-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199853;MM199853;CC(C)=NOC(N)=O;FVZBZOHLIPJKPC-UHFFFAOYSA-N;116.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199854;MM199854;Cc1nnn(C)c1O;MTEOJPNCSZWARW-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199855;MM199855;CCCOC(=NC)NC;GMIZQXHLLGBXEW-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199856;MM199856;CN=C(NC)OCCN;NQVDTNRSOQLPGE-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199857;MM199857;CNC(=NO)OCCN;YBRSEILGPYBRRP-UHFFFAOYSA-N;133.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199858;MM199858;CNC(=NO)OCCO;GRMHDOSZXIMFEA-UHFFFAOYSA-N;134.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199859;MM199859;Cc1nc(N)oc1F;MZAPAYMPOHLOHK-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199860;MM199860;CCc1nc(N)n[nH]1;ZVWFWIXWMIMWEU-UHFFFAOYSA-N;112.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199861;MM199861;CNN=CC(O)CCO;ANIVTNLTGJRBHY-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199862;MM199862;CONC(=N)C(F)CO;USKAUATXFYYEJC-UHFFFAOYSA-N;136.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199863;MM199863;CN=C(NO)OCCN;YBRSEILGPYBRRP-UHFFFAOYSA-N;133.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199864;MM199864;CCNc1n[nH]c(C)n1;HFMUPFLLCFCHKK-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199865;MM199865;CCc1[nH]nc(C)c1F;UHFYOMVZKLASDS-UHFFFAOYSA-N;128.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199866;MM199866;NCCOC(=NO)NO;QFFTYLRRONKEQT-UHFFFAOYSA-N;135.12;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199867;MM199867;OCCOC(=NO)NO;QJRUKHXYWRVTJM-UHFFFAOYSA-N;136.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199868;MM199868;CON(C)C(CO)=NN;CZKBKNBRBHRSGG-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199869;MM199869;NN=C(CO)N(N)C=O;UFLVQBPYQWPQJW-UHFFFAOYSA-N;132.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199870;MM199870;COC(=NO)OCCO;PLYGSRRLCHMVHY-UHFFFAOYSA-N;135.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199871;MM199871;COC(=NO)OCCF;VZHHEVGEEJTCAY-UHFFFAOYSA-N;137.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199872;MM199872;C=CCCC(=CC)CC;URLSMLBKOVLSKM-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199873;MM199873;CC=C(CC)CCC=O;UXCDWEYZWCMQPB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199874;MM199874;CC=C(CC)CCC#N;BYSXFBVVZIOUGZ-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199875;MM199875;C=CCCC(=CF)CC;JHOFDIFBLHYPOJ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199876;MM199876;CCC(=CF)CCC#N;UDJCFGLVVSRCSQ-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199877;MM199877;C=CCCC(=CC)CN;CADBUWFGQZNDMS-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199878;MM199878;C=CCCC(=CF)CN;NFBPSZSTUQRPKW-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199879;MM199879;C=NN(C)C(CO)=NN;ZVSARZVGJXQNSI-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199880;MM199880;CC=C(CO)CCC#N;PYJZFMUARUNJQK-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199881;MM199881;CC=C(CF)CCC=O;QSUUFMHOGOFRPA-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199882;MM199882;CC=C(CF)CCC#N;TZGCOIKFGGFQEG-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199883;MM199883;O=CCCC(=CF)CF;BBDLUMNUELEJNN-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199884;MM199884;N#CCCC(=CF)CF;QUDHABSBMZPZPK-UHFFFAOYSA-N;131.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199885;MM199885;C=CCCC(CC)=NN;RFQCIALVVSASHN-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199886;MM199886;C=CCCC(CC)=NO;NPSXWMWDCWTIIZ-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199887;MM199887;NN=C(CO)NOC=O;VAALGXOBPPVBOV-UHFFFAOYSA-N;133.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199888;MM199888;C=CCCC(CF)=NN;SEQJKFZPGDCFCO-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199889;MM199889;N#CC(C=NO)ONC=O;NABURNHTPCYQSC-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199890;MM199890;C=CCCC(=NC)NC;KVHMOHJMAOFQAA-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199891;MM199891;N#CCCC(=NO)NO;IANKBUKWUMMOPN-UHFFFAOYSA-N;129.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199892;MM199892;C=CCCC(=CC)OC;MMTCZRMBHIFEKL-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199893;MM199893;CC=C(CCC#N)OC;SXPRFJOQBIOZFD-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199894;MM199894;C=CCCC(=CF)OC;XCAKGEPCMGLJGL-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199895;MM199895;COC(=CF)CCC#N;OIOAIMBFWPJZMH-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199896;MM199896;C=Cn1cnc(CO)c1;IQZFDCLFWYMTIX-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199897;MM199897;C=CCCC(=NO)OC;VRIDARXXWRQWJT-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199898;MM199898;COC(CCC=O)=NO;OXOQGCMLKIJEQB-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199899;MM199899;CC=C(CC)CNC=N;OLCKMFFQEINSEU-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199900;MM199900;C#CC1NC1C(O)C=C;FONMPQAQDUSILR-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199901;MM199901;CCC(=CF)CNC=N;IRKAZZHTLZQAKA-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199902;MM199902;CCC(=CF)CNC=O;XSKHDWXCEXLQTA-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199903;MM199903;CC=C(CN)CNC=O;YMDCIHJBKHNCKO-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199904;MM199904;CC=C(CO)CNC=N;VFXMPNQJRPRGSX-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199905;MM199905;CC=C(CO)CNC=O;MMAPISAPZOBANN-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199906;MM199906;O=CNCC(=CF)CO;MVHXPCPMHNFVQV-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199907;MM199907;CC=C(CF)CNC=N;LWFGSUQFHHZOSB-UHFFFAOYSA-N;130.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199908;MM199908;O=CNCC(=CF)CF;WEDMFVPSHQZZTE-UHFFFAOYSA-N;135.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199909;MM199909;C=NNCC(=CC)CC;FEJUCFPJVAYLSN-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199910;MM199910;C=NNCC(=CF)CN;JEOVHVMXEZGMCV-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199911;MM199911;CN1CC1(C)CC(F)C=O;KGLIRXWYJZKBOW-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199912;MM199912;C=NNCC(=CC)CF;WXPIOYRGNHCETL-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199913;MM199913;C=NNCC(=CF)CF;FOHRQVPBPVXBDV-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199914;MM199914;CCC(CNC=N)=NN;GSUTVLQLULJRCR-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199915;MM199915;CN(C)NC(=N)C(F)CO;QRZDPEZUMIWKKC-UHFFFAOYSA-N;149.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199916;MM199916;CCC(CNC=N)=NO;GVBMQQDMGZAGMB-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199917;MM199917;CCC(CNC=O)=NO;KLMMMXYRWGXUMD-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199918;MM199918;N=CNCC(CO)=NN;VQHPYBCMKJTFLG-UHFFFAOYSA-N;130.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199919;MM199919;C=NOCC=CNC(C)=O;PIOCAIHNBJADQV-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199920;MM199920;N=CNCC(CF)=NN;SDAYZGBFHOOGOH-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199921;MM199921;CCNN=CC(O)CCF;VJWGLMFPASZKII-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199922;MM199922;CN=C(CNC=N)NN;VCQJFJUQGLABRM-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199923;MM199923;N=CNCC(=NO)NO;OAGGNCRSVXSTEA-UHFFFAOYSA-N;132.12;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199924;MM199924;O=CNCC(=NO)NO;PYVZDFNASWUOCM-UHFFFAOYSA-N;133.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199925;MM199925;CC(O)c1cc(=N)nco1;KEYQRZYKUPZYSF-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199926;MM199926;C=NNCC(=NO)NO;QWEWPUVWFQEAQN-UHFFFAOYSA-N;132.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199927;MM199927;CNC(=O)OC(=NN)NO;NWCLMFBZXHJFCN-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199928;MM199928;COC(=CF)CNC=N;GYXOEAICJUSLTK-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199929;MM199929;C=NNCC(=CC)OC;ULPZBHXRWWYTBB-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199930;MM199930;COC(CNC=N)=NN;LKTZYSAGXIMKDF-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199931;MM199931;NC(=NCC=O)C(F)CO;RQMBZUIOLYNBGZ-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199932;MM199932;C=COCC(=CC)CC;STSQYEDRRXNVQJ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199933;MM199933;CC=C(CC)COC=O;YMPCNCBDXKCPBB-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199934;MM199934;C=COCC(=CC)CN;LTDQLWIBCFGBCV-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199935;MM199935;NCC(=CF)COC=O;AWAWBKWWRQOALY-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199936;MM199936;C=COCC(=CC)CO;BHLKDCYHTMIKJO-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199937;MM199937;C=COCC(=CF)CO;SKYGYCSPDLKYTE-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199938;MM199938;O=COCC(=CF)CO;OLNFUZAWEPYCAF-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199939;MM199939;C=COCC(=CC)CF;LVSPGVAMKDUDAF-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199940;MM199940;CC=C(CF)COC=O;VOWLOQXPQZCYFT-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199941;MM199941;O=COCC(=CF)CF;SGKRFJMZNZSJQD-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199942;MM199942;C=NOCC(=CC)CC;AMWNFDCBMYOQMR-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199943;MM199943;C=NOCC(=CF)CC;GFIURLWDXYBFFC-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199944;MM199944;N#CCNC(=N)C(F)CO;CPBLRQMEFXRQFW-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199945;MM199945;C=NOCC(=CC)CF;WKKJAUQDNSOGJR-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199946;MM199946;C=NOCC(=CF)CF;LNFZTKDHCRXTRL-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199947;MM199947;C=COCC(CC)=NN;BTCJEBNPZVVOJE-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199948;MM199948;C=COCC(CC)=NO;NKQJQNLNCNHTCJ-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199949;MM199949;N=C(NOC=O)C(F)CO;DRODOXAJZVCCAP-UHFFFAOYSA-N;150.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199950;MM199950;COCC(O)(C#N)C=NO;QYEPQJMACXOWPV-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199951;MM199951;Cn1ncc(O)nc1=NO;JIYBVTUNZUDFKA-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199952;MM199952;C=NOCC(CC)=NN;XXZPJYONRVIMLZ-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199953;MM199953;C#CCNC(=N)C(F)CO;PVVVTGAPPZNBFQ-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199954;MM199954;CCc1noc(CC)c1O;TXXZBOWJLQJUSX-UHFFFAOYSA-N;141.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199955;MM199955;N=C(NC=CF)C(F)CO;YAAMGMUHYMGOEZ-UHFFFAOYSA-N;150.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199956;MM199956;C=COCC(=CC)OC;XYZLIMAWHPTSTJ-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199957;MM199957;CC=C(COC=O)OC;VPMQKPAAAJZVRQ-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199958;MM199958;C=COCC(=CF)OC;QSZNMQYPEABCHZ-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199959;MM199959;COC(=CF)COC=O;OVCFFHDVLHEFKS-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199960;MM199960;C=NOCC(=CC)OC;CISXGFQVNWPDPP-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199961;MM199961;C=NOCC(=CF)OC;QXUVBBVZJKFOPI-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199962;MM199962;CCN=C(NN)C(F)CO;QSBAPWBMSQWDAN-UHFFFAOYSA-N;149.17;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199963;MM199963;C=CCN=C(CC)NC;VXKGXKYCJDQFLY-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199964;MM199964;CCC(=NCC=O)NC;QUEGLASPMJROCS-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199965;MM199965;CCC(=NCC#N)NC;MCVVXHRUZMAUHE-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199966;MM199966;C=CCNC(CC)=NN;QIZXWPQHFUXQRD-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199967;MM199967;C=NNC(=NC)C(F)CO;QZWJAOUXWWNLCJ-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199968;MM199968;CN=C(CO)NCC=O;DPLBCLGHHCIPQE-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199969;MM199969;O=CCNC(CO)=NO;GYCLQWGXBGHBMY-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199970;MM199970;CNN=C(CO)N(C)OC;MADZWQGCCBCITL-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199971;MM199971;CN=C(NO)NCC=O;GAHSLPQPFPHWKK-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199972;MM199972;C=NN(C)C(CO)=NNC;XVWSZJNSANYVKX-UHFFFAOYSA-N;144.18;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199973;MM199973;CCC(=NC)NNC=N;AFJVGXXGACINEA-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199974;MM199974;CCC(=NC)NNC=O;DGPBGXUCDMKPQA-UHFFFAOYSA-N;129.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199975;MM199975;CCC(=NO)NNC=O;RWJLMURJBQKTPM-UHFFFAOYSA-N;131.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199976;MM199976;CN=C(CN)NNC=N;GVYPXMRAWJHPDG-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199977;MM199977;N=CNNC(CO)=NN;YUPKTTHNYUEPFJ-UHFFFAOYSA-N;131.14;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199978;MM199978;O=CNNC(CO)=NO;IRDKNFUHVIBIPV-UHFFFAOYSA-N;133.11;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199979;MM199979;CN=C(CF)NNC=N;DXGOSAYKDQKZPB-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199980;MM199980;CNN=C(CO)NOC=O;ZUPHVJMMNOZCSW-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199981;MM199981;C=NN(C)C(C#N)C(C)O;XNTNKFOANXSYCR-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199982;MM199982;CN=C(NN)NNC=O;AJQZDOQDFVHVMX-UHFFFAOYSA-N;131.14;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199983;MM199983;N=CNNC(=NN)NN;WARALVJLLIFUOA-UHFFFAOYSA-N;131.14;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199984;MM199984;CN=C(NO)NNC=O;JOYXCGMNLKWNFP-UHFFFAOYSA-N;132.12;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199985;MM199985;N=CNNC(=NN)NO;YZYADTQGUVTJSH-UHFFFAOYSA-N;132.13;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199986;MM199986;Nc1c(N)c(O)n(N)c1O;GOQYIGBFWBRNGB-UHFFFAOYSA-N;144.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199987;MM199987;CN=C(NNC=N)OC;NTMZVMOJEJIZSP-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199988;MM199988;Cn1c(=O)ccn(O)c1=N;SRNGJBKNHYVMEX-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199989;MM199989;COC(=NN)NNC=N;LCAVAABAGRPBKV-UHFFFAOYSA-N;131.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199990;MM199990;Nn1cnc(=O)nc1CO;QIMGATKSFRTFON-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199991;MM199991;COC(=NO)NNC=N;DLANGXOKDLLUKJ-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199992;MM199992;COC(=NO)NNC=O;ITSFEGPLPKULPN-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199993;MM199993;CCN(OC)C(CO)=NN;GEOZJIUCQIKENV-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199994;MM199994;C=NN(C=O)C(CO)=NC;YZCOGKZSJDBCPB-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199995;MM199995;NN=CONC(CO)=NN;TWIVRXFUEBDMIW-UHFFFAOYSA-N;147.14;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199996;MM199996;CCON(C)C(CO)=NN;WHOPMWBVIULFFY-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199997;MM199997;C#CCN(O)C(=NN)OC;UXMPFYXIOZGGLY-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199998;MM199998;CC=Cn1cnc(CO)c1;HWHPQXSNPKEHQE-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM199999;MM199999;C=CC(O)C1NC1C#CC;FPDCYICOHFTNOC-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200000;MM200000;O=CONC(=NO)NO;NUOGENTXRVYRIL-UHFFFAOYSA-N;135.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200001;MM200001;CCC1=NN=C(CO)NN1;CCUJSMMKQJXMQO-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200002;MM200002;NN=CC(O)CCO;CCVVNPXFBAKUJO-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200003;MM200003;COC(=NO)NOC=O;MBXFPIUTHLCLOC-UHFFFAOYSA-N;134.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200004;MM200004;C=CCOC(=CC)CC;UBSBCMZZYKLWCP-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200005;MM200005;CC=C(CC)OCC=O;IRZVXDOFJJWOTO-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200006;MM200006;CC=C(CC)OCC#N;XDWGUHNIVVOALL-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200007;MM200007;C=CCOC(=CF)CC;UOCGERQRARVPNB-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200008;MM200008;CCC(=CF)OCC=O;XQPVIAVQIRCMDG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200009;MM200009;C=CCOC(=CC)CN;GWAMGUFMNGLYFP-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200010;MM200010;C=CCOC(=CC)CO;GSIHJJOAMZKLNO-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200011;MM200011;C=CCOC(=CF)CO;GCFCRHDKQWJGEF-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200012;MM200012;O=CCOC(=CF)CO;IDRXARMXRFBFLD-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200013;MM200013;CC=C(CF)OCC=O;JDJMETLOPNSOES-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200014;MM200014;N#CCOC(=CF)CF;VHHNZDLHTJUBQS-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200015;MM200015;CC1=NC(=N)CN1N;FQGSDCUCBVPAJM-UHFFFAOYSA-N;112.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200016;MM200016;C=CCOC(CC)=NO;VEPCTROBTOMFSL-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200017;MM200017;CCC(=NO)OCC=O;BVMMRNPRZFOHAC-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200018;MM200018;C=NNC(CO)=NN;OUBSKJBCWIAELY-UHFFFAOYSA-N;116.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200019;MM200019;Cn1[nH]ncc1=NO;JHJPDGPRHQTKIR-UHFFFAOYSA-N;114.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200020;MM200020;C=CCOC(=NC)NC;POXPFVJUPRJWPX-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200021;MM200021;CNC(=NO)OCC=O;SFAOVQFDXFZXQH-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200022;MM200022;Cn1ccc(NO)n1;AXRQKBZBUHPLEY-UHFFFAOYSA-N;113.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200023;MM200023;O=CCOC(=NO)NO;GDRYWMYKKRFDTQ-UHFFFAOYSA-N;134.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200024;MM200024;COC(=NO)OCC=O;CURCQYYVTHHLHW-UHFFFAOYSA-N;133.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200025;MM200025;NN=C(CO)ONC=O;LCSLTWFOOGXUMA-UHFFFAOYSA-N;133.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200026;MM200026;CNC(=NN)ONC=O;ALWAKHNTMJDFGJ-UHFFFAOYSA-N;132.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200027;MM200027;CNC(=NO)ONC=O;GEWNYNHNLIPDPT-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200028;MM200028;C#Cc1c[nH]c(C)n1;PQLPNFNMYKSZGW-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200029;MM200029;CN=C(NO)ONC=O;GEWNYNHNLIPDPT-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200030;MM200030;COC(=NN)ONC=O;AUVDSMNLPXVRGE-UHFFFAOYSA-N;133.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200031;MM200031;C#CCCC(=CC)CC;XBBWEVBUKAQZOC-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200032;MM200032;C#CCCC(=CC)CN;NZMCPOBGUIGZGW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200033;MM200033;C=NOC(C)(C)C(C)O;NUPXZJYUPODRDW-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200034;MM200034;C#CCCC(=CC)CF;BSQMKQXVZFKWAE-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200035;MM200035;C#CCCC(=CF)CF;GWYKEUGOZKRBNY-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200036;MM200036;C#CCCC(CC)=NN;URODIFFDAOAIIH-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200037;MM200037;C#CCCC(=NC)NC;CFFMUUCQTSSVLR-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200038;MM200038;C#CCCC(=NC)NN;OQNIIZVBELVSAQ-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200039;MM200039;C#CCCC(=NC)NO;ATOGBJSQLHJCEV-UHFFFAOYSA-N;126.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200040;MM200040;C#CCCC(=CC)OC;UWAYUBPZLXYIGM-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200041;MM200041;COCCC(O)C=NN;ZICSKTOHUKGEHW-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200042;MM200042;C#CCCC(=NO)OC;PSSNEVFWBYBFRZ-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200043;MM200043;C#CCN=C(CC)NC;NNHCQRBQBSGFSY-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200044;MM200044;C#CCN=C(CC)NN;LVIBEVQRQVIIHR-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200045;MM200045;NN=C(N)C(F)C(N)=O;FOEYZWPOSNAEHQ-UHFFFAOYSA-N;134.11;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200046;MM200046;C#CCNC(=NN)NN;WSYZXYFSUGFQLU-UHFFFAOYSA-N;127.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200047;MM200047;CNN=C(CO)NOC;OHBJVCJCCIUZCD-UHFFFAOYSA-N;133.15;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200048;MM200048;C=C1CN(N)C(=O)C1=C;VFHKHDQDFQNTPM-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200049;MM200049;C#CCOC(=CC)CC;UUXBJOBAIDLQMN-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200050;MM200050;C#CCOC(=CC)CF;CNNXOWZTURILNN-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200051;MM200051;Nc1cn(O)n(N)c1=O;HLSJQEBQLIMGKQ-UHFFFAOYSA-N;130.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200052;MM200052;Cc1c(O)[nH]n(N)c1=O;DVIKPSOHULGAQT-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200053;MM200053;C=CC(=CC)CCCC;VWKIFRYAHPZDHI-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200054;MM200054;C=CC(=CC)CCCN;NFBGFIWRISRPDV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200055;MM200055;CC1CC1(O)C1CN1C;MGKZSEOXZNXWCX-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200056;MM200056;C=CC(=CC)CCCF;OOBJGYOKQPQITM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200057;MM200057;C=CC(=CF)CCCC;NFXWCLFZZXEULA-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200058;MM200058;CC=C(C=O)CCCC;RAPHJZMCZKGDSB-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200059;MM200059;CC=C(C#N)CCCC;MADZJGSOHUNZQX-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200060;MM200060;C=CC1C=NN(C)C1=N;XOSDYSHTTHYIGY-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200061;MM200061;CC=C(C#N)CCCO;XCPJCTNAJKUDNI-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200062;MM200062;CC=C(C=O)CCCF;VMYTUXZUARKHBZ-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200063;MM200063;CC=C(C#N)CCCF;OMDOCRKUICWFDW-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200064;MM200064;CCCCC(C#N)=CN;FPLCGCDMCKIBNY-UHFFFAOYSA-N;124.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200065;MM200065;N=c1c(=O)occn1O;RASUHYLLLJAVLW-UHFFFAOYSA-N;128.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200066;MM200066;C=NN(C=O)C(=N)CO;MSJDKMRVTPDNSD-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200067;MM200067;CCCCC(C#N)=CF;LNZWJYSFTMETGC-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200068;MM200068;CCn1ccc(NO)n1;BYPAQRGMEZSQAF-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200069;MM200069;O=CC(=CF)CCCF;ZDRFHMRNITWUBW-UHFFFAOYSA-N;134.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200070;MM200070;C=CC(=CC)CCNC;VNFUEIDLXAKTTQ-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200071;MM200071;CC=C(C#N)CCNC;KOZMSYDQYNPGKP-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200072;MM200072;CNCCC(C=O)=CN;GGPGJLUSJBVSRF-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200073;MM200073;CNCCC(C#N)=CN;XENIMAAMQWBQAV-UHFFFAOYSA-N;125.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200074;MM200074;C=CC(=CC)CCOC;KSJPYFFIKFJIQA-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200075;MM200075;C=CC(=CF)CCOC;PQFMFJPEJOIPPR-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200076;MM200076;CC=C(C#N)CCOC;FEFFHIDVDSPGGE-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200077;MM200077;COCCC(C=O)=CN;RFUDWOBDCQDKSY-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200078;MM200078;C=CC(CCCC)=NN;WULKJVAREOCPDC-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200079;MM200079;CN=C1C=C(NO)CO1;QYKRMBKWEKVZNG-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200080;MM200080;C=Cc1cc(C=C)[nH]n1;BQZGCWCTLLWQOS-UHFFFAOYSA-N;120.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200081;MM200081;C=CC(CCCF)=NO;XEVKDOWXUKDAHQ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200082;MM200082;C=CC(C)NC=CC(=O)O;VAYXVAYQIWFEHZ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200083;MM200083;C=CC(CCOC)=NN;QZHRHBHMFGXDRN-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200084;MM200084;NN=c1[nH]cc(F)c(=O)o1;WWTDEVALJGFAEZ-UHFFFAOYSA-N;145.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200085;MM200085;C=CC(=CC)CNCC;OTLLLAFXBKXGKD-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200086;MM200086;CC=C(C=O)CNCC;JAFBECHBFVXBQJ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200087;MM200087;CCNCC(C=O)=CN;DLOCQOCPHHFOSA-UHFFFAOYSA-N;128.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200088;MM200088;C=CC(=CC)COCC;RXXWJGHNLDTBOD-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200089;MM200089;CC=C(C=O)COCC;UOUMZEZETXETCO-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200090;MM200090;CC=C(C#N)COCC;STOGSJSYXIKSIA-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200091;MM200091;CCOCC(C=O)=CF;RBUYLEOLLLQOHJ-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200092;MM200092;CCOCC(C#N)=CF;OVDRRBNJOVJPGU-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200093;MM200093;C=CC(COCC)=NN;DQUPGDPEUJDCRJ-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200094;MM200094;C=CC(COCC)=NO;JNKLVKPTSZDVKO-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200095;MM200095;C=CC(=NCCC)NC;OOJDVOIOVCQQPV-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200096;MM200096;C=CC(=NC)NCCO;JTAGMFFNQQQLRM-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200097;MM200097;C=CC(=NCCC)NN;NHCOQQYCAIOOJA-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200098;MM200098;C=CC(=NN)NCCO;IOQGSVHEHBRUMD-UHFFFAOYSA-N;129.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200099;MM200099;C=CC(=NCCC)NO;ANBSZNYKWDJFJW-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200100;MM200100;C=CC(=NCCN)NO;NLLUBEHIRRESRR-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200101;MM200101;CCCN=C(C=O)NC;BAFSSKVZLKEURK-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200102;MM200102;CON=C(N)C#CC(N)=O;KAIFAZMIVWNEJI-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200103;MM200103;CN=C(C=O)NCCF;RNWXAPNJVZYROB-UHFFFAOYSA-N;132.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200104;MM200104;NN=CC(O)CCOC=O;PZEQXQFXLCEJQJ-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200105;MM200105;C=CC(=CC)OCCC;JNVYLEVWHNMAIV-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200106;MM200106;C=CC(=CC)OCCN;OIMSRNZGHLBACG-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200107;MM200107;C=CC(=CC)OCCO;ZIVFPYGRMWRMCO-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200108;MM200108;C=CC(=CC)OCCF;ZNLFYCKLAWUBPL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200109;MM200109;C=CC(=CF)OCCC;OJGFNWPWMQPNNU-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200110;MM200110;CC=C(C=O)OCCC;RQMKLPKPGLBISM-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200111;MM200111;CC=C(C#N)OCCC;KEMKEZSWFBFODL-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200112;MM200112;CC=C(C#N)OCCF;PJUPTDJRWSQFBC-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200113;MM200113;CCCOC(C=O)=CN;LZXRJELJRGHBHE-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200114;MM200114;C=NOCCC(O)C=NN;DDHYWLRZEAGPNX-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200115;MM200115;NC=C(C=O)OCCF;ONNVQXVTXLTRFY-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200116;MM200116;CCCOC(C=O)=CF;YPCZIUPSKNKOQG-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200117;MM200117;O=CC(=CF)OCCO;RTDLZMLBCLLNCG-UHFFFAOYSA-N;134.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200118;MM200118;N#CC(=CF)OCCF;CIVKUQCYIIIECR-UHFFFAOYSA-N;133.1;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200119;MM200119;COCOC(C#N)=CF;MSKAJTNVCQOTNY-UHFFFAOYSA-N;131.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200120;MM200120;C=CNC(=O)C(=C)C=NN;DKTNISCSRASMFF-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200121;MM200121;C=CC(=NO)OCCC;PGBNBLPKABXWTJ-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200122;MM200122;C=CC(=NO)OCCN;AHPYEKIVODYGCZ-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200123;MM200123;C=CC(=NO)OCCO;COFLTSWYKQGFCW-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200124;MM200124;CC=Cc1n[nH]c(=NC)o1;WDWRAAJQHKRZTL-UHFFFAOYSA-N;139.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200125;MM200125;Cn1[nH]c(C#N)nc1=NO;IHSKJAGPQQVGHE-UHFFFAOYSA-N;139.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200126;MM200126;C=CCCC(C=C)=CC;AWAZUBSOYDOWNA-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200127;MM200127;C=CC(=CC)CCC=O;BJVZKGWXXQLCSC-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200128;MM200128;C=CC(=CC)CCC#N;JOGHAYMEKMIPCG-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200129;MM200129;C=CCCC(C=C)=CF;GKTNWJJNKQEXHM-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200130;MM200130;C=CC(=CF)CCC#N;DAGLLVUDKHRDSU-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200131;MM200131;C=CCCC(C=O)=CC;GOFIKGSDOZCXOM-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200132;MM200132;C=CCCC(C#N)=CC;ZBHDQKUTCAEXPX-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200133;MM200133;CC=C(C=O)CCC=O;ATKRCXJTROGLGX-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200134;MM200134;CC=C(C#N)CCC#N;BVZWRCYSPILNIC-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200135;MM200135;C=CCCC(C#N)=CN;CBVSNEMVMSETRZ-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200136;MM200136;NC=C(C=O)CCC=O;XJJXJPCKDDNXMU-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200137;MM200137;C=CCCC(C=O)=CF;STQDTEXMXWWPKH-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200138;MM200138;C=CCCC(C#N)=CF;JCBNZRBAMMWWOZ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200139;MM200139;O=CCCC(C=O)=CF;NYKIFQNHVCGNEL-UHFFFAOYSA-N;130.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200140;MM200140;Cc1cn(O)c(=N)c(=O)o1;BRRMPYHXCKBXTI-UHFFFAOYSA-N;142.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200141;MM200141;C=CC(CCC=O)=NO;YLQNTELKPXZGDA-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200142;MM200142;C=CCCC(C=O)=NO;CRORNZRJFFCIKA-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200143;MM200143;N=Cn1cc(F)c(O)n1;ITPKMULZEUAUQT-UHFFFAOYSA-N;129.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200144;MM200144;C=CC(=CC)CNC=N;UFPZWBWNITVAJD-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200145;MM200145;C=CC(O)C1NC1(C)C=C;OTKMYZNBFMBQKP-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200146;MM200146;N=CNCC(C=O)=CN;COVVIILIFDUOIN-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200147;MM200147;NC=C(C=O)CNC=O;OXCFPUVRMQUJAX-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200148;MM200148;C=CC(=CC)CNN=C;MEXDUIRULZBRPF-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200149;MM200149;C=CC(O)C1NC1(C)C=O;RIFSDQJNPUESFK-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200150;MM200150;C=NNCC(C=O)=CN;OSBNESNUSJJDJY-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200151;MM200151;C#CC(=N)N(O)C(C)C=O;QUVRHXFKKDXWIO-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200152;MM200152;C=CC(CNC=N)=NN;VVEAEKCBNQICDT-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200153;MM200153;CON=CC(O)CCC=O;HSLQYCSOYNSZBN-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200154;MM200154;C=CC(CNC=N)=NO;BFIBRPLTIJHVQF-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200155;MM200155;C=CC(CNC=O)=NO;FYIDXYXHNAOFMI-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200156;MM200156;C=CC(CNN=C)=NO;GQAGEIFESDMVLO-UHFFFAOYSA-N;127.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200157;MM200157;N=C(N)C(=O)C(F)C=NO;OFBDFEQSUDBZGE-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200158;MM200158;C=COCC(C=C)=CC;YERWQJIPOQENRZ-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200159;MM200159;C=CC(=CC)COC=O;AIZUDKAFUFCHJC-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200160;MM200160;C=COCC(C=O)=CC;YZBIMYPSPSSVFW-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200161;MM200161;C=COCC(C#N)=CC;JBJMXZRYKNNIBU-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200162;MM200162;C=COCC(C=O)=CN;WXIITYDLQINBRV-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200163;MM200163;NC=C(C=O)COC=O;LTHIUPCQJJNHPC-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200164;MM200164;C=COCC(C#N)=CF;LIVRZFXKQMWMEO-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200165;MM200165;C=CC(=CC)CON=C;DVASQFRMFGVYJS-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200166;MM200166;C=NOCC(C#N)=CC;UJQRPVKWHOYSEW-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200167;MM200167;C=COCC(C=C)=NN;JRFZDPSEXGHCSM-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200168;MM200168;C=CC(COC=O)=NN;DHSBJUUKEJTECW-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200169;MM200169;C=COCC(C=C)=NO;PTKACBDEFBMHOE-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200170;MM200170;Cc1cc(=O)nc(O)n1N;KIJQJPMRISLQLQ-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200171;MM200171;C=CC(CON=C)=NN;VEBKLJJICXGBHX-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200172;MM200172;C=CCNC(C=C)=NC;VWZNGGKRNCGYLV-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200173;MM200173;C=CC(=NC)NCC#N;AXCLXKDIEQIBGI-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200174;MM200174;C=CCNC(C=C)=NN;ZCSHLHJVNRTDTP-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200175;MM200175;CCC(O)C=NN=CNO;NBGOEBFQOANALW-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200176;MM200176;C=NNC(CO)C(F)CO;SBMMLUBWZYRJGZ-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200177;MM200177;N=CN(OC=O)C(=N)CO;QZQIWFVPMCEZCJ-UHFFFAOYSA-N;145.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200178;MM200178;O=CCNC(C=O)=NO;DSJRBNQAXRNOTO-UHFFFAOYSA-N;130.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200179;MM200179;C=CC(=NC)NNC=N;BJCNDVLGQHEGTO-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200180;MM200180;C=CC(=NC)NNC=O;HEWYNUZISDZJCU-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200181;MM200181;C=CC(=NO)NNC=N;IKKPPXZOHXIFGV-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200182;MM200182;CC=NN(C=O)C(=N)CO;XRMBILVLHBHRNJ-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200183;MM200183;C=CN(C)C(CO)=NN=C;GDPQYWSPEDCPQJ-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200184;MM200184;C=CC(=NO)NOC=O;NJQCPCPZGVOZTD-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200185;MM200185;C=CCOC(C=C)=CC;KGNTUFNQSKLBNP-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200186;MM200186;C=CC(=CC)OCC=O;WCOFPCYMPHZYOU-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200187;MM200187;C=CC(=CF)OCC=O;NFVDEHXIBZGNGE-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200188;MM200188;C=CC(=CF)OCC#N;QXGXIRMHOBXQDF-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200189;MM200189;C=CCOC(C=O)=CC;QGJKYNUEESNYKE-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200190;MM200190;C=CCOC(C#N)=CC;GTIDCTQQJAEWRN-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200191;MM200191;CCNN=C(CO)NOC;CPDXNFZQUQXTBT-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200192;MM200192;Cn1c(O)cnnc1=O;SZWODROWINLDOY-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200193;MM200193;Cn1[nH]c(=O)oc(=O)c1=O;GUUNFVGLAFKBMM-UHFFFAOYSA-N;144.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200194;MM200194;C=CC(=NO)ONC=O;CUNXONPXOYKBLC-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200195;MM200195;C#CCCC(C=C)=CC;XYQGMTIDMNKXFO-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200196;MM200196;C#CCCC(C=O)=CC;WZDIWMLLMUKKCM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200197;MM200197;C#CCCC(C#N)=CC;NKKLAYDQEHPNHX-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200198;MM200198;C#CCCC(C=O)=CN;DJODGWBLIPEEFK-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200199;MM200199;C#CCCC(C#N)=CN;SJKYLLPLMJYDNK-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200200;MM200200;C#CCCC(C=O)=CF;ZACDUYZJMKDAFS-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200201;MM200201;C#CCCC(C#N)=CF;PUTNUNYGGBGOTM-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200202;MM200202;O=CC(C=O)NC(=O)CF;ZCUJOZKQFASESH-UHFFFAOYSA-N;147.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200203;MM200203;C#CCNC(C=C)=NC;IXQMFFGEXRJLPK-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200204;MM200204;CC=CNC(CO)=NOC;NEWPWTNFZBKZGB-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200205;MM200205;CC(O)C(CO)OC=NN;KGPOQCORQYURDN-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200206;MM200206;C#CCNC(C=O)=NO;ZAVWHBVVDQOHDP-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200207;MM200207;C#CCOC(C=C)=CC;JIDHNTVAHWJLAK-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200208;MM200208;C#CCOC(C#N)=CC;XEQRQJNSVGDJIY-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200209;MM200209;C#CCOC(C#N)=CN;XYJIWGWAGDRPFV-UHFFFAOYSA-N;122.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200210;MM200210;C#CCOC(C#N)=CF;CEQSGMMTTWTVOW-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200211;MM200211;C#CC(=CC)CCCC;AWRNOWWZSBTRIE-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200212;MM200212;C#CC(=CC)CCCN;AIQTZSLYPIMAMW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200213;MM200213;C#CC(=CC)CCCO;XQFAMKZWAOMMJP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200214;MM200214;C#CC(=CC)CCCF;ZBFSIGUWMWCQQQ-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200215;MM200215;C#CC(=CF)CCCC;YMTKCOROZXKPOK-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200216;MM200216;C#CC(=CF)CCCN;KIAVWTZVWOVPHA-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200217;MM200217;C#CC(=CF)CCCO;JAXOKVWJRJJMCY-UHFFFAOYSA-N;128.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200218;MM200218;C#CC(=CF)CCCF;CCQKQNDKWCYPLJ-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200219;MM200219;C#CC(=CC)CCNC;IBHKYBSLAQXKAD-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200220;MM200220;C#CC(=CF)CCNC;BPLKISNHJJXNML-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200221;MM200221;C#CC(=CC)CCOC;CDYUYFGWGXPGST-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200222;MM200222;C#CC(=CF)CCOC;JWUDAGNTWXMHNL-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200223;MM200223;C#CC(CCCC)=NO;WXWWDORVHQUKLG-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200224;MM200224;C#CC(=CC)CNCC;PTQAVNRBBNVDAI-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200225;MM200225;C#CC(=CF)CNCC;PNCPEMHFUQXYFA-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200226;MM200226;C#CC(=CC)COCC;HBZCWSCBBUTKIG-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200227;MM200227;C#CC(=CF)COCC;UUJYUTAKEWEAKL-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200228;MM200228;C#CC(=NCCC)NC;QVSFVPQOBKQTKK-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200229;MM200229;C#CC(=NC)NCCN;LMXPHTNENVMPKU-UHFFFAOYSA-N;125.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200230;MM200230;C#CC(=CC)OCCC;JEFOOEWHIMYSDF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200231;MM200231;C#CC(=CC)OCCF;QZYWFXBMJUDZKO-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200232;MM200232;C#CC(=CF)OCCC;IYKPLWXMWKDPBK-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200233;MM200233;C#CC(=CF)OCOC;RVMDLILWJRVRAL-UHFFFAOYSA-N;130.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200234;MM200234;C#CC(=NO)OCCN;QMRGWURRXRPLJL-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200235;MM200235;C#CC(=NO)OCCF;ZRTDDFASVNIIED-UHFFFAOYSA-N;131.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200236;MM200236;C#CC(=CC)CCC=C;XIAWZKZXBVZXFX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200237;MM200237;C#CC(=CC)CCC=O;PXMNPLWJKVIYRB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200238;MM200238;C#CC(=CC)CCC#N;WIXVWHZCUIYUKD-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200239;MM200239;C#CC(=CF)CCC=C;AMIMXNARABSKOQ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200240;MM200240;C#CC(=CF)CCC#N;LQZGXQOQURKSDO-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200241;MM200241;C#CC(CCC=C)=NN;SEGRMJPRPQPEPV-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200242;MM200242;C#CC(=CC)CNC=N;CJGDMOSRHQNTCL-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200243;MM200243;C#CC(=CC)CNN=C;ANQZNBKNGBQJMZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200244;MM200244;C#CC(=CF)CNN=C;HSMBXYMPVZNKCG-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200245;MM200245;C#CC(CNC=N)=NN;SIKMLMOLNFNCIW-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200246;MM200246;CNc1cn(O)n(N)c1=O;GYXXCPXEULBBHI-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200247;MM200247;C#CC(CNC=N)=NO;JNGKWXJVFNKTIE-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200248;MM200248;C#CC(CNC=O)=NO;GVPUQABHIPSEKD-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200249;MM200249;C#CC(=CC)COC=C;XDSRNFDQBOHXKG-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200250;MM200250;C#CC(=CC)COC=O;ROAQEXWQHCNRHK-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200251;MM200251;C#CC(=CF)COC=C;KOALQJVYDVMEKJ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200252;MM200252;C#CC(=CC)CON=C;DJUOOYFGPHRHDZ-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200253;MM200253;C#CC(=CF)CON=C;PYZVBGOUPYQWEW-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200254;MM200254;C#CC(=NC)NCC=C;VUWCFEACYWKWBX-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200255;MM200255;C#CC(=NC)NCC=O;KITAMWZXUPUYAK-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200256;MM200256;C#CC(=NC)NNC=N;INIXIAGGDDKVAG-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200257;MM200257;N=c1ncn(N)c(CO)n1;NFDCXAYASMFTQU-UHFFFAOYSA-N;141.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200258;MM200258;C#CC(=NO)NNC=O;NZCRXJPEAHPBIV-UHFFFAOYSA-N;127.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200259;MM200259;C#CC(=CC)OCC=C;PSHDLZRXZHXVGJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200260;MM200260;C#CC(=CC)OCC=O;FJCMFEJNRBKCKS-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200261;MM200261;C#CC(=CF)OCC=C;VLALFFDTFUKEQH-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200262;MM200262;C#CC(=CF)OCC=O;DGXVZZBIYHBWDK-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200263;MM200263;C#CC(=NO)OCC=O;GEZUMWDNSKZSED-UHFFFAOYSA-N;127.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200264;MM200264;C#CC(=NN)ONC=O;FMBUNUXDJLMLKI-UHFFFAOYSA-N;127.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200265;MM200265;C#CCCC(C#C)=CC;RWBGFXPBLOSQOB-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200266;MM200266;C#CCCC(C#C)=CF;HVIBKILRJDDPSH-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200267;MM200267;C#CCCC(C#C)=NN;XXYDIXLCAAWDJG-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200268;MM200268;C#CCCC(C#C)=NO;IOWFAWGCJRFYJJ-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200269;MM200269;C#CCOC(C#C)=CC;RQPVXPWJSMZALY-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200270;MM200270;C#CCOC(C#C)=CF;ZBGZSNLOZCJGRI-UHFFFAOYSA-N;124.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200271;MM200271;CC=CCC(=CC)CC;FBKZEHJQCSUNCX-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200272;MM200272;CC=C(CC)CC=CF;LICFFXTUGYHFRH-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200273;MM200273;CC=CCC(=CF)CC;OTDVEABUEVHVGI-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200274;MM200274;CCC(=CF)CC=CF;XLDOWGJTUBYJQU-UHFFFAOYSA-N;132.15;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200275;MM200275;CC=CCC(=CC)CN;APWWSKUQUVKYGO-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200276;MM200276;CC=C(CN)CC=CF;UIZORXWHKZWHJA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200277;MM200277;CC=CCC(=CF)CN;MINBPZNZLWNKES-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200278;MM200278;NCC(=CF)CC=CF;QXDMJYXJNHLPGK-UHFFFAOYSA-N;133.14;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200279;MM200279;C#CCONC(CO)=NN;WZTVZZAKOZRDDD-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200280;MM200280;NN=C(CO)NN=CCF;IRCOBJZEXNXVCL-UHFFFAOYSA-N;148.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200281;MM200281;CC=C(CF)CC=CF;AMGUSTPSZVKBBX-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200282;MM200282;FC=CCC(=CF)CF;LGSMPPICOAYAQO-UHFFFAOYSA-N;136.12;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200283;MM200283;CC=C(CC)CC=NN;SHGROGUKHWAWDQ-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200284;MM200284;CC=C(CC)CC=NO;YUMVNIYJCLZKDV-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200285;MM200285;CCC(=CF)CC=NN;XBIMKRMOSIXPBK-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200286;MM200286;CCC(=CF)CC=NO;FQOGMRQGAVQKHZ-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200287;MM200287;C=CC=NNC(CO)=NN;UUVGIDUCZWGOSD-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200288;MM200288;CC=C(CF)CC=NN;USNFWBANQWHGTR-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200289;MM200289;CC=C(CF)CC=NO;BYQLCVUKUKGGAQ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200290;MM200290;CC=CCC(CC)=NN;QIGCZHWUYVOFEW-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200291;MM200291;CCC(CC=CF)=NN;WUSKMJJWGGZSES-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200292;MM200292;CC=CCC(CC)=NO;QIFXNDAVNATHNR-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200293;MM200293;CCC(CC=CF)=NO;DTIMSYKPFPJWIG-UHFFFAOYSA-N;131.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200294;MM200294;CC=CCC(CF)=NN;VLCPTNOTRQEAOE-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200295;MM200295;NN=CN(N)C(CO)=NN;LSLXBIOLTCDAHD-UHFFFAOYSA-N;146.15;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200296;MM200296;CCCn1ccc(NO)n1;ITSLPSPOEMDCAJ-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200297;MM200297;NN=C(CO)CC=NO;HLDJNHKTYXVSOC-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200298;MM200298;CC=CCC(=NC)NC;GWKXBWCNMIMVAZ-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200299;MM200299;CC=CCC(=NC)NN;BPHVNULBDRRJKI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200300;MM200300;CC=CCC(=NN)NC;BPHVNULBDRRJKI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200301;MM200301;C#CCn1ccc(NO)n1;TZIMPYSCCGXVKV-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200302;MM200302;CN=C(CC=NN)NO;PQWPCBXHAUEWCG-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200303;MM200303;CC=Cc1nc(CC)c[nH]1;WNPUUZHIILZJCL-UHFFFAOYSA-N;136.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200304;MM200304;C=NNC1=CC(=NC)OC1;HSRNGBDAPHFCHK-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200305;MM200305;ON=CCC(=NO)NO;NKZZFTTYYHITNA-UHFFFAOYSA-N;133.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200306;MM200306;CC=CCC(=CC)OC;WWCWZAYMEQCHCZ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200307;MM200307;CC=C(CC=CF)OC;WTGSGUFMAKINBD-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200308;MM200308;CC=CCC(=CF)OC;NAYPJAQKIHQYJL-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200309;MM200309;CC=C(CC=NN)OC;SBWOVXYEFQKOFJ-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200310;MM200310;CC=C(CC=NO)OC;NBPBQGLVOYISTI-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200311;MM200311;COC(=CF)CC=NN;CSQPXLQHTZYEHS-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200312;MM200312;COC(=CF)CC=NO;IPRFQIJXQQCLQI-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200313;MM200313;COC(CC=NO)=NN;FQDIOTRZSCOQIG-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200314;MM200314;CC=C(CC)N=CNC;SEOKYFPJTSCPFX-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200315;MM200315;CC=C(CC)N=CNN;YFICXBDPXUKUTE-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200316;MM200316;NN=c1c(F)cn(O)n1N;VKUMFWVQDSJWDN-UHFFFAOYSA-N;147.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200317;MM200317;CN=CNC(=CF)CN;RWKQPWWZUQYKGL-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200318;MM200318;CC=C(CF)NC=NC;WLSAEVGAZXSBFD-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200319;MM200319;CC=C(CF)N=CNN;WQVUFEZSWSVMMU-UHFFFAOYSA-N;131.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200320;MM200320;CC=CN=C(CC)NC;HCMSIBIHSWZKSP-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200321;MM200321;CCC(=NC=CF)NC;QHMINRBCAXBOHI-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200322;MM200322;CCC(=NC=CF)NN;BSIVOZMDLMSWOA-UHFFFAOYSA-N;131.15;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200323;MM200323;C=CC(O)C1C(C=C)N1C;OAQAPAABUMANTK-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200324;MM200324;CCC(=NO)NC=CF;GKVUKYOXMFATOU-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200325;MM200325;CC=CN=C(CN)NC;OORMZWAQDHMTMA-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200326;MM200326;CN=C(CN)NC=CF;FEBSCIJUZJKIRX-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200327;MM200327;CC=CN=C(CO)NC;AXNNEDVMAXZXJY-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200328;MM200328;C=CC(O)C1C(C=O)N1C;LOLPYMGCSBHZKF-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200329;MM200329;NN=CCC(O)CO;MRKQFSOWHVICGS-UHFFFAOYSA-N;118.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200330;MM200330;CCC(=NC=NO)NN;YGQXIOHTYYLPBK-UHFFFAOYSA-N;130.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200331;MM200331;C#Cc1cn[nH]c1N;MKIYTNLOKVVRKT-UHFFFAOYSA-N;107.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200332;MM200332;CC(CC(O)CO)=NN;ZQAVGBOMWNVJEJ-UHFFFAOYSA-N;132.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200333;MM200333;CCCC(O)C=NOC;SKBYVPALEZJRDN-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200334;MM200334;CNN=CCC(O)CO;MWFQPXZYWQLKTK-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200335;MM200335;CON=CCC(O)CO;RGZBKDDZTBOOKW-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200336;MM200336;NN=C(NN)NC=CF;BSBVOKUFUPBGDF-UHFFFAOYSA-N;133.13;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200337;MM200337;C=C1C(O)CNC1C#N;XCKUFWFCYXFVAQ-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200338;MM200338;Cc1c(CO)ncn1N;RYDGBUYEHNWQIJ-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200339;MM200339;CNC(N=CNN)=NN;CMCIRDDSKPSRHC-UHFFFAOYSA-N;130.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200340;MM200340;CNC(=NN)NC=NO;ZMGRKUOVJGKQMP-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200341;MM200341;CN=C(N=CNN)NN;CMCIRDDSKPSRHC-UHFFFAOYSA-N;130.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200342;MM200342;CN=CNC(=NN)NN;WKLHJMRKBDBOCO-UHFFFAOYSA-N;130.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200343;MM200343;NN=CNC(=NN)NN;VPLVRQVVCSIYMJ-UHFFFAOYSA-N;131.14;-2.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200344;MM200344;N=Nc1ccc(CF)[nH]1;JIUYXBLCRIZSDI-UHFFFAOYSA-N;127.12;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200345;MM200345;CN=C(N=CNN)NO;PDDJXPJMJSLOMI-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200346;MM200346;NN=C(N=CNN)NO;CZGWQDHAIPAJKD-UHFFFAOYSA-N;132.13;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200347;MM200347;C=CC(O)C1NC1C=C;VLJGPLUFGBTJJO-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200348;MM200348;ON=CNC(=NO)NO;KJLGGXOIRTXANR-UHFFFAOYSA-N;134.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200349;MM200349;NC(=O)CON=C(N)CO;VFZBEXRQKWTTND-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200350;MM200350;CN=C(NC=CF)OC;WQVJUGFOGZFTDN-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200351;MM200351;CNN=C(C)CC(O)CO;NXBVEXHNFFXSGK-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200352;MM200352;CON=C(C)CC(O)CO;PAUXTHYSXSFMOB-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200353;MM200353;N#CC=C(N)CC(O)CO;IDUZCTIVOXTJCG-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200354;MM200354;CC=NNC(CC)=NO;BEIAJVOKASOABC-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200355;MM200355;CCCC(O)C=NOC=O;HOBYOXOWTXJJRQ-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200356;MM200356;CC=NN=C(CF)NO;BKCCZJMPHJDNGZ-UHFFFAOYSA-N;133.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200357;MM200357;CN(O)C(=N)C(C#N)C=O;ICMNEGCAMVDKBI-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200358;MM200358;CC=COC(=CC)CC;HPLBZCUOXMPGOE-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200359;MM200359;CC=C(CC)OC=CF;NEWWSBYROKGUME-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200360;MM200360;CC=COC(=CF)CC;AICCCUMJEDFEMB-UHFFFAOYSA-N;130.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200361;MM200361;CCC(=CF)OC=CF;FDALVBOHAXCMRE-UHFFFAOYSA-N;134.13;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200362;MM200362;CC=COC(=CC)CN;JFTZUTFEHJOQLI-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200363;MM200363;CC=C(CN)OC=CF;UIQMXQWZYNPCHE-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200364;MM200364;CC=COC(=CC)CO;GLKYUSVRYZNZHP-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200365;MM200365;CC=C(CO)OC=CF;LMPFZRYFEHIYFL-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200366;MM200366;CC=COC(=CF)CO;JPNBSRWFRBMZDU-UHFFFAOYSA-N;132.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200367;MM200367;CC=COC(=CC)CF;GSRYTVQSUTVOQN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200368;MM200368;CC=C(CF)OC=CF;HBOWSRDPJWJBNN-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200369;MM200369;CC=COC(=CF)CF;KWNIXMLDNOQXKE-UHFFFAOYSA-N;134.13;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200370;MM200370;FC=COC(=CF)CF;GPPLCUGAMAGWGG-UHFFFAOYSA-N;138.09;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200371;MM200371;CN(C)C(C(N)=O)C(N)=O;LRQOHYWBLNCIRY-UHFFFAOYSA-N;145.16;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200372;MM200372;CC=C(CC)OC=NO;QZNZILSEYCCJHK-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200373;MM200373;N=c1c(N)nc(F)cn1O;MNQYZDRDFSVXLP-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200374;MM200374;CC=COC(CC)=NO;GVCXILZVLYFGRJ-UHFFFAOYSA-N;129.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200375;MM200375;CCC(CC(O)CO)=NN;SNNOWZSYGBFRRE-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200376;MM200376;NN=C(CO)OC=CF;YIHNMZQXFRDAKJ-UHFFFAOYSA-N;134.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200377;MM200377;O=c1on(O)c(=O)n1O;ZNPNBICFZVYITI-UHFFFAOYSA-N;134.05;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200378;MM200378;NN=C(CO)OC=NO;FECWNKUYLTXRCH-UHFFFAOYSA-N;133.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200379;MM200379;NN=C(CF)OC=NO;HZBNXPJMXCBEOU-UHFFFAOYSA-N;135.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200380;MM200380;O=CCc1oc(=O)oc1O;IBZFXRZIIZTKDR-UHFFFAOYSA-N;144.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200381;MM200381;C=CC(=CC)CC=CC;PVHIUJYYQWOMMI-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200382;MM200382;C=CC(=CC)CC=CF;BJCVNLDADVPOTF-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200383;MM200383;C=CC(=CF)CC=CF;NOMZBPSZYAOUAW-UHFFFAOYSA-N;130.14;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200384;MM200384;CC=CCC(C=O)=CC;NTBXYPPQGPJWPE-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200385;MM200385;CC=CCC(C#N)=CC;VQRWZAQRNBAORW-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200386;MM200386;CC=C(C=O)CC=CF;ZEFZMVZIVSWKCT-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200387;MM200387;CC=C(C#N)CC=CF;OJBDWFNFUGTBGE-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200388;MM200388;CC=CCC(C#N)=CN;XCBZSQNVANGCRG-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200389;MM200389;N#CC(=CN)CC=CF;RBFYNCFGNSVHJX-UHFFFAOYSA-N;126.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200390;MM200390;CC=CCC(C=O)=CF;KRSOHDFHXJYXOU-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200391;MM200391;CC=CCC(C#N)=CF;WCIYQJNEVBFZBF-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200392;MM200392;O=CC(=CF)CC=CF;QWHPAAQWVRBMJG-UHFFFAOYSA-N;132.11;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200393;MM200393;N#CC(=CF)CC=CF;JJKABXYHMDXBCH-UHFFFAOYSA-N;129.11;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200394;MM200394;C=CC(=CC)CC=NN;BSWXGYPVXFNBAL-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200395;MM200395;C=CC(=CC)CC=NO;XULMNDQFYBPPIQ-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200396;MM200396;C=CC(=CF)CC=NN;QYILDLYXIJYPMG-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200397;MM200397;C=CC(=CF)CC=NO;AEKAJLCWLUEESF-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200398;MM200398;CC=C(C#N)CC=NO;SZKVLZUAAKEGSO-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200399;MM200399;NC=C(C=O)CC=NO;ORDOLBPXSCNPGS-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200400;MM200400;N#CC(=CN)CC=NO;IZIKSXWVIDBZBQ-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200401;MM200401;C=CC(CC=CC)=NN;MXCNKRCGXCLWAZ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200402;MM200402;C=CC(CC=CF)=NN;PEEMFEYNWYWBAM-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200403;MM200403;N=C(NN)C(F)C#CCO;RWSVHZYXERQVSB-UHFFFAOYSA-N;145.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200404;MM200404;C=CC(CC=CF)=NO;LLDLGZUHISLTIV-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200405;MM200405;C=CC(CC=NN)=NN;NZVYBIGFPBTSPT-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200406;MM200406;C=CC(CC=NO)=NN;LLSZWNVLQDVMID-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200407;MM200407;Nc1c(O)c(F)n(O)c1F;OADBBTXWYONKOI-UHFFFAOYSA-N;150.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200408;MM200408;C=CC(=CC)NC=NC;XMWCGJIIZQQUBZ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200409;MM200409;C=CC(=CC)N=CNN;ODCAXZCAYUIPAK-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200410;MM200410;C=CC(=CF)NC=NC;WNCXEXJUDZUKAQ-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200411;MM200411;OCC=NNCC(F)CO;DUOINTVGDMKHMB-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200412;MM200412;C=CC(=NC)NC=CC;CHHQBZJRZIMTQK-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200413;MM200413;C=CC(=NC)NC=CF;NLVFGYKUOWBAPW-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200414;MM200414;C=CC(=NC=CC)NN;ZGHYHRXWBFKQPZ-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200415;MM200415;C=CC(=NC=CC)NO;FMBHXMIDTRWZGF-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200416;MM200416;CCNN=CCC(O)CO;CYAWGWLZYHVQQZ-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200417;MM200417;O=CC(=NO)NC=CF;HDNADWHRPUZFKO-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200418;MM200418;C=CC(=CC)OC=CC;HRYRHALAJIJBGV-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200419;MM200419;C=CC(=CC)OC=CF;YDGYHALTPSDBCZ-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200420;MM200420;C=CC(=CF)OC=CC;HCFAYALTYZSKJY-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200421;MM200421;C=CC(=CF)OC=CF;JYXDEGGKTXKBRC-UHFFFAOYSA-N;132.11;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200422;MM200422;CC=COC(C#N)=CC;LGIPICUAVLWWFU-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200423;MM200423;CC=C(C#N)OC=CF;WBHKQFOJJXRJRJ-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200424;MM200424;CC=COC(C#N)=CN;LCHKOJVJHBWUDM-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200425;MM200425;N#CC(=CN)OC=CF;ZYQGEHPQCNXLGV-UHFFFAOYSA-N;128.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200426;MM200426;CC=COC(C#N)=CF;MYAWSIQMSKESRK-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200427;MM200427;O=CC(=CF)OC=CF;GCUPOBDTYHZNND-UHFFFAOYSA-N;134.08;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200428;MM200428;N#CC(=CF)OC=CF;KTGYTWHQGILFAI-UHFFFAOYSA-N;131.08;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200429;MM200429;C=CC(=CC)OC=NO;WXDPKLNRAFZMHW-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200430;MM200430;CON(C=NN)C(=N)CO;LAUQKFGLFRKSCU-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200431;MM200431;C=CC(=NO)OC=CC;RLGPNZMSIIDZQM-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200432;MM200432;C=CC(=NO)OC=CF;QOHUAMXJKIMNOJ-UHFFFAOYSA-N;131.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200433;MM200433;C=CC(=NO)OC=NO;HQAHVLVKRPTBTI-UHFFFAOYSA-N;130.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200434;MM200434;C=NN(C=NN)C(=N)CO;PXQGNEADUIBOAC-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200435;MM200435;C=CC(=NO)ON=CC;IXOBHKQPQYMQBL-UHFFFAOYSA-N;128.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200436;MM200436;C#CC(=CC)CC=CC;JMVXPTLOKSEAGW-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200437;MM200437;C#CC(=CC)CC=CF;XDXKWPQGKUVTAH-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200438;MM200438;C#CC(=CF)CC=CC;OIKNKIDHYZCEBL-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200439;MM200439;C#CC(=CF)CC=CF;PGAZWXQLYHZXHM-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200440;MM200440;C#CC(=CC)CC=NN;YICNMKZODDWGQR-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200441;MM200441;C#CC(=CC)CC=NO;BEAIXYXCKHNYRQ-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200442;MM200442;C#CC(=CF)CC=NN;NQGLMTKSPCYXRL-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200443;MM200443;C#CC(=CF)CC=NO;TUSBKJVUWSNABY-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200444;MM200444;C#CC(CC=CC)=NN;KEFQULVXINNKQE-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200445;MM200445;C#CC(=CC)NC=NC;WTQWWBWHWQBTLB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200446;MM200446;C#CC(=NC)NC=CC;IKVLMMHNIYUGCS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200447;MM200447;CON(C)C(CO)=NC=N;GVPVPGKHMFBVMH-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200448;MM200448;C#CC(=NO)NC=CF;BXGAQPDGMQGYBK-UHFFFAOYSA-N;128.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200449;MM200449;C=CN(N)C(CO)=NC=O;ZKPYBNLCWKOPMN-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200450;MM200450;N=CN=C(CO)N(N)C=O;FIFAACQBLYQUDY-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200451;MM200451;C#CC(=CC)OC=CC;FHRUVWDSQJYDOE-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200452;MM200452;C#CC(=CC)OC=CF;AQCLANWTYHFIQS-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200453;MM200453;C#CC(=CF)OC=CC;WUXIPZZFOLNHTC-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200454;MM200454;C#CC(=CF)OC=CF;IXRWVORHJYDJEB-UHFFFAOYSA-N;130.09;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200455;MM200455;C=NN(C)C(CO)=NC=N;XZBMWKGPELZUOQ-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200456;MM200456;N#CC(NCC=O)C(N)=O;OFMPFQIMUPMDKJ-UHFFFAOYSA-N;141.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200457;MM200457;Cc1c(N)c(N)c(O)n1N;VTXWEGYSLWWHBR-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200458;MM200458;C#CC(=NO)OC=CC;JIOZHRWUUFMFKR-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200459;MM200459;C#CC(=NO)OC=CF;VADGTTPRZUPVST-UHFFFAOYSA-N;129.09;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200460;MM200460;CC#CCC(=CC)CC;GCXYQKFLNGNOJK-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200461;MM200461;CC#CCC(=CF)CC;VAPHCUWNEQNQRC-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200462;MM200462;CC#CCC(=CC)CN;WBQLCJVGWDJNNP-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200463;MM200463;CC#CCC(=CF)CN;OOAMQOLXEPTRLV-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200464;MM200464;CC#CCC(=CC)CO;OEJDXMBKNSNCJN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200465;MM200465;CC#CCC(=CC)CF;LOVALGBTOSGMKB-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200466;MM200466;CC#CCC(=CF)CF;IIDOPDBXWMSNKF-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200467;MM200467;CC#CCC(CC)=NN;AFZPCDIGTSCFAG-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200468;MM200468;CC#CCC(CC)=NO;LNNFVWWTQZIGHT-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200469;MM200469;C#Cc1cn(O)n(N)c1=O;STHOGTCLAKZJOY-UHFFFAOYSA-N;139.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200470;MM200470;CC#CCC(CF)=NN;JVEYCNYJOPWXMJ-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200471;MM200471;N#Cc1nnc(C#N)n1O;DVFAQYFFDQWAQE-UHFFFAOYSA-N;135.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200472;MM200472;CC#CCC(=NC)NC;OSFVUOLSHFDARW-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200473;MM200473;CC#CCC(=NO)NO;XZKXLDGTUULCBD-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200474;MM200474;CC#CCC(=CC)OC;FVNUCWVJYXKRJE-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200475;MM200475;CC#CCC(=CF)OC;JPWXKINQEXMADN-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200476;MM200476;Nn1c(F)c(CO)oc1=O;ALHQGUZCCMWQOV-UHFFFAOYSA-N;148.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200477;MM200477;C=CC(=CC)CC#CC;IVWWIHQYKUZJNJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200478;MM200478;C=CC(=CF)CC#CC;VUHPIKGXPGXCCS-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200479;MM200479;CC#CCC(C=O)=CC;BVYARWOIDYHXTM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200480;MM200480;CC#CCC(C#N)=CC;FMCDQTSFWNQDFZ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200481;MM200481;CC#CCC(C=O)=CN;RHJJOPGTDXZUFJ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200482;MM200482;Nn1ccc(=O)nc1CO;OEFUMYIYIJGPGE-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200483;MM200483;CC#CCC(C=O)=CF;OYQYOYWZEYHFHR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200484;MM200484;CC#CCC(C#N)=CF;QEQQOMSJMGQWCM-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200485;MM200485;C=CC(CC#CC)=NN;PVRVQVAPXZXQFA-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200486;MM200486;C=CC(CC#CC)=NO;MKGPQBYTFWDOMI-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200487;MM200487;Cc1nc(C=O)oc1O;KMNAECARHDQRHI-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200488;MM200488;C#CC(=CC)CC#CC;MVBJLSBLNGDDTO-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200489;MM200489;C#CC(=CF)CC#CC;OZOHZSOKHHWWJX-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200490;MM200490;C#CC(CC#CC)=NN;SRBRKVXFIBBVEO-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200491;MM200491;C#CC(CC#CC)=NO;YWHMSLGBJHIZCB-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200492;MM200492;CCC=CC(CC)CC;ZEHNMJDBJYQRDT-UHFFFAOYSA-N;126.24;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200493;MM200493;CCC(C=CCN)CC;VEABIMUVAHGIJG-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200494;MM200494;CCC(C=CCO)CC;NRQCCXFEXSPESL-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200495;MM200495;CCC(C=CCF)CC;ZIPRSRAHVAQNDZ-UHFFFAOYSA-N;130.21;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200496;MM200496;CCC=CC(CC)CN;CQKUVVFLVVWRLE-UHFFFAOYSA-N;127.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200497;MM200497;CCC(C=CCO)CN;VSNFTZUNRFPNPZ-UHFFFAOYSA-N;129.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200498;MM200498;CCC(C=CCF)CN;ANPZSSMJKPYBLL-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200499;MM200499;COC(CO)C(CO)=NN;HWLSWBXRLWFWJK-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200500;MM200500;CCC(C=CCO)CO;ZDYUJVWKIZMVES-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200501;MM200501;CN=C(NO)C(C#N)C=O;MEZABZNQXCNJFG-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200502;MM200502;CCC(C=CCF)CF;HYROSOZBHJZRRY-UHFFFAOYSA-N;134.17;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200503;MM200503;NCC(C=CCO)CN;ASATVPVCAGHCKR-UHFFFAOYSA-N;130.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200504;MM200504;NCC=CC(CN)CO;VFZKTILFVLKNOV-UHFFFAOYSA-N;130.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200505;MM200505;CCC=CC(CN)CF;NETQUDLXZCRWSB-UHFFFAOYSA-N;131.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200506;MM200506;CCC=CC(CO)CO;JLMYUUPHFXPADU-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200507;MM200507;NCC=CC(CO)CO;GBVHVSIGZBARDS-UHFFFAOYSA-N;131.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200508;MM200508;OCC=CC(CO)CO;URMCVQCCCKVMDE-UHFFFAOYSA-N;132.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200509;MM200509;CCC(C=COC)CC;HZOBLYALBASQKA-UHFFFAOYSA-N;128.22;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200510;MM200510;CCC(C=COC)CN;DEHJCBOREXNIGA-UHFFFAOYSA-N;129.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200511;MM200511;CCC(C=COC)CO;PGIKSKFFNJFYDW-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200512;MM200512;CCC(C=COC)CF;BAGRHTOJHUQLFD-UHFFFAOYSA-N;132.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200513;MM200513;COC=CC(CN)CN;KGLKHYJEUGRSNX-UHFFFAOYSA-N;130.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200514;MM200514;COC=CC(CF)CF;UERQFESXKJLCPN-UHFFFAOYSA-N;136.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200515;MM200515;CCC=CC(CC)NC;DINPEKMQXNHZME-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200516;MM200516;CCC(C=CCN)NC;FZKYXHXYBKQGRC-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200517;MM200517;CCC(C=CCF)NC;XQDHYUHFXATADJ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200518;MM200518;CNC(C=CCN)CN;KQQNLXGFKFQDPT-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200519;MM200519;CNC(C=CCO)CN;GGRSBCZIPIPPTB-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200520;MM200520;CCC=CC(CO)NC;GXJGLALBUPPJIK-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200521;MM200521;CNC(C=CCN)CO;DCHNPQZEMMBHDH-UHFFFAOYSA-N;130.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200522;MM200522;CNC(C=CCO)CO;VHWPTGZPIKDWAX-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200523;MM200523;CCC(C=COC)NC;QFFYXMPSBMYMBO-UHFFFAOYSA-N;129.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200524;MM200524;CNC(C=COC)CO;PFRQMIVVGMGLNK-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200525;MM200525;CCC=CC(CC)OC;DOXHIVKKEHDLOR-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200526;MM200526;CCC(C=CCF)OC;SGTZCMMVEOHYLE-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200527;MM200527;COC(C=CCN)CN;HIBQZSPCKBNBQR-UHFFFAOYSA-N;130.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200528;MM200528;CCC=CC(CO)OC;DFEUWIKCLFHMRR-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200529;MM200529;COC(C=CCN)CO;OASDALXNSBJZOW-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200530;MM200530;COC(C=CCO)CO;GBFUWGOSFNGFPJ-UHFFFAOYSA-N;132.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200531;MM200531;COC(C=CCF)CF;GITWMBQTOSXYOQ-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200532;MM200532;CCC(C=COC)OC;XGWGVXLCWRXTOJ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200533;MM200533;COC=CC(CN)OC;VCTWKRTWAYFAEZ-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200534;MM200534;COC=CC(CF)OC;LPPDBZBDLTUXCE-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200535;MM200535;CCC=CC(OC)OC;JALUPESUZCNYHS-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200536;MM200536;COC(C=CCN)OC;ORHHOSPQYYWWET-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200537;MM200537;CCC(C=NNC)CC;XPBQHTQJHKFGJX-UHFFFAOYSA-N;128.22;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200538;MM200538;CNN=CC(CN)CO;BTKZPSMEEMBVSY-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200539;MM200539;CCC(C=NOC)CC;FDHZZXNZSTZGOC-UHFFFAOYSA-N;129.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200540;MM200540;CCC(C=NOC)CF;ATXUNJQPHWRVQJ-UHFFFAOYSA-N;133.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200541;MM200541;CON=CC(CN)CN;DTXIJLZYWGACEO-UHFFFAOYSA-N;131.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200542;MM200542;CON=CC(CN)CO;MFCXWVLKFDHFCN-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200543;MM200543;CON=CC(CN)CF;ROIXOEIOMTUXBS-UHFFFAOYSA-N;134.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200544;MM200544;CON=CC(CF)CF;QAGJBLANWQAQPH-UHFFFAOYSA-N;137.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200545;MM200545;CCC(C=NNC)OC;FMHJAIRWZYHIMI-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200546;MM200546;C=NN(C=N)C(CO)=NC;NEDIBRXDXCTOJW-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200547;MM200547;CNN=CC(CF)OC;PRRKUXBUXNQZQC-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200548;MM200548;CCC(C=NOC)OC;AOEPUORTCJMPQB-UHFFFAOYSA-N;131.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200549;MM200549;CON=CC(CN)OC;SUQIAJJCFDEEPV-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200550;MM200550;CCN=CN(CC)CC;UKJWQICBLZOQPV-UHFFFAOYSA-N;128.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200551;MM200551;CCN(C=NNC)CC;KVDJVOWAGLPRIK-UHFFFAOYSA-N;129.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200552;MM200552;CCC=NN(CC)CC;KIKLTTLXIQUYDB-UHFFFAOYSA-N;128.22;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200553;MM200553;NN=C(CO)N(N)CCO;PJSXSPRTJHISRC-UHFFFAOYSA-N;148.17;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200554;MM200554;C=CC=CC(CC)CC;VOERFDFQHYMTTG-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200555;MM200555;CCC(C=CC=O)CC;BAYHQPAXPMJOSU-UHFFFAOYSA-N;126.2;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200556;MM200556;CCC(C=CC#N)CC;CSIRMXUOPNYOJU-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200557;MM200557;C=CC=CC(CC)CN;DBFFYXAFZPFSJU-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200558;MM200558;C=NN1CCC(=C)C(O)C1;ZCFODDAFPYVEOA-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200559;MM200559;CNc1nc(C(C)C)co1;OEDPSTHTFIHELK-UHFFFAOYSA-N;140.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200560;MM200560;C=CCn1ccc(NO)n1;QNIBQMUCAYCZTC-UHFFFAOYSA-N;139.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200561;MM200561;C=CC=CC(CC)CF;BEVCIPFGKBUXHA-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200562;MM200562;CCC(C=CC=O)CF;QQFUPPNHWMWBCG-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200563;MM200563;N#CC=CC(CO)CO;CXKMTSNFJISGGH-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200564;MM200564;N#CC=CC(CO)CF;RLWJGVDEILSZTF-UHFFFAOYSA-N;129.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200565;MM200565;C=CC=CC(CF)CF;HQCGFIGSWXEKTA-UHFFFAOYSA-N;132.15;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200566;MM200566;O=CC=CC(CF)CF;SWICQJQLYCVIMH-UHFFFAOYSA-N;134.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200567;MM200567;C=CC=CC(CC)NC;MKIWBUANZOZNCO-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200568;MM200568;CCC(C=CC#N)NC;GRSLCHDKTIXRFH-UHFFFAOYSA-N;124.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200569;MM200569;C=CC=CC(CN)NC;OPTFARZWDQOJSY-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200570;MM200570;CCC(C=CC=O)OC;UOZXYFHRQFSPNC-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200571;MM200571;C=CC=CC(CN)OC;BLKIJKAPSMZLMM-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200572;MM200572;C=CC=CC(CO)OC;DJMCWBAWHNWFBW-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200573;MM200573;C=CC=CC(CF)OC;WKPXDRZBFYVCQU-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200574;MM200574;COC(C=CC=O)CF;CLDIQTIALWJBLV-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200575;MM200575;COC(C=CC#N)CF;GFWMXEQHLWGPLP-UHFFFAOYSA-N;129.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200576;MM200576;C=CC=CC(OC)OC;JVBBZCVBKUWQSN-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200577;MM200577;C=NN=CC(CC)CC;UWHYRLCNHWOQGQ-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200578;MM200578;C=NN=CC(CC)CN;RFRCBBUIAXBPMR-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200579;MM200579;C=NN=CC(CC)CO;MZGNLPGECVNXLO-UHFFFAOYSA-N;128.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200580;MM200580;C=NN=CC(CC)CF;HMDPQTDOFRMVHC-UHFFFAOYSA-N;130.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200581;MM200581;C=NN=CC(CO)CF;WQHVXPSMKQKINC-UHFFFAOYSA-N;132.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200582;MM200582;C=NN=CC(CF)CF;UGUYFPFBDHMAOT-UHFFFAOYSA-N;134.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200583;MM200583;C=NN=CC(CN)NC;MCORFHYLMITUNF-UHFFFAOYSA-N;128.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200584;MM200584;C=NN=CC(CC)OC;UTRMWPZFGJJMQF-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200585;MM200585;C=NN=CC(CF)OC;DKUCYSYDORCARG-UHFFFAOYSA-N;132.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200586;MM200586;C=NN=CC(OC)OC;DCHYFPDQPIXJNF-UHFFFAOYSA-N;130.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200587;MM200587;CCN(C=CC#N)CC;LLSHTDLKVJASIZ-UHFFFAOYSA-N;124.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200588;MM200588;CCN(C=NC=N)CC;AYUVOAWPHMRQOX-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200589;MM200589;C=NN=CN(CC)CC;SSXAAHIXWMDWOV-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200590;MM200590;C=NN=CN(CC)OC;ZVAVANVFAJUDAX-UHFFFAOYSA-N;129.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200591;MM200591;C=CC=NN(CC)CC;UGOASOFSIHCIAT-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200592;MM200592;CCN(CC)N=CC=O;QUAFVKOBYWRMRM-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200593;MM200593;C#CC=CC(CC)CC;ZERWCCWRDFRGHG-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200594;MM200594;C#CC=CC(CC)CN;KANNOYUNZWOVFO-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200595;MM200595;C=Cc1nc(CCC)c[nH]1;BHJDKPDECIWZJH-UHFFFAOYSA-N;136.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200596;MM200596;C#CC=CC(CC)CF;SRTYZZBGKWIVCO-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200597;MM200597;C#CC=CC(CN)CO;UOHIMTMZJUKWQU-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200598;MM200598;C#CC=CC(CN)CF;GKGFOVNXYMABQO-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200599;MM200599;C#CC=CC(CF)CF;HVIUVTSEWIELIB-UHFFFAOYSA-N;130.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200600;MM200600;C#CC=CC(CC)NC;JROVKFFKMPVHFT-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200601;MM200601;C#CC=CC(CN)OC;UJVUOHCKAAYXHY-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200602;MM200602;C#CC=CC(CO)OC;KFPILMKHMNQTFJ-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200603;MM200603;C#CC=CC(CF)OC;PQQYJPWMZQNZFA-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200604;MM200604;C#CC=CC(OC)OC;AYIJEIJHXQIODB-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200605;MM200605;C#CC=NN(CC)CC;HQSKZLYQSVKJLO-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200606;MM200606;C=CC(C=CCC)CC;IYXYBBKIMDDUFX-UHFFFAOYSA-N;124.23;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200607;MM200607;C=CC(C=CCN)CC;MSLOJWWLEJSKBM-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200608;MM200608;C=CC(C=CCO)CC;RMUDMJALTFIPPA-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200609;MM200609;C=CC(C=CCF)CC;XKFJTLATPJRPBC-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200610;MM200610;CCC=CC(C#N)CC;JEJULMOBCFNQKX-UHFFFAOYSA-N;123.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200611;MM200611;CCC(C=O)C=CCO;DTKWIMAGMOTXCC-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200612;MM200612;CCC(C#N)C=CCO;INMBYXLTHGFIBQ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200613;MM200613;CCC(C=O)C=CCF;ASBDXGWGPGFDBJ-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200614;MM200614;CCC(C#N)C=CCF;HJMBHHCTIWJCRD-UHFFFAOYSA-N;127.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200615;MM200615;C=CC(C=CCC)CN;ZHIXUWYXDRLAQS-UHFFFAOYSA-N;125.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200616;MM200616;C=CC(C=CCF)CN;PZPXPWDLRJRPNP-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200617;MM200617;CC(C)C1(O)CC1N1CC1;MEORVTSNGQOXRF-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200618;MM200618;N#CC(C=CCO)CO;KVPUKOQWMPXWLF-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200619;MM200619;C=CC(C=CCC)CF;TXCYMCIRCSJPHO-UHFFFAOYSA-N;128.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200620;MM200620;C=CC(C=CCN)CF;MZVBGMWXTPPWPK-UHFFFAOYSA-N;129.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200621;MM200621;C=CC(C=CCO)CF;BRIJRAVELPGDIX-UHFFFAOYSA-N;130.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200622;MM200622;CCC=CC(C=O)CF;YYCSNXDSBFSVJD-UHFFFAOYSA-N;130.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200623;MM200623;N#CC(C=CCF)CF;CMOCFBHSQVPUGB-UHFFFAOYSA-N;131.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200624;MM200624;C=CC(C=COC)CC;SPAILRXVIDYVBN-UHFFFAOYSA-N;126.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200625;MM200625;CCC(C=O)C=COC;HEEUHCXVDSXQRM-UHFFFAOYSA-N;128.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200626;MM200626;CCC(C#N)C=COC;FWTCSHNMOZEKCZ-UHFFFAOYSA-N;125.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200627;MM200627;C=CC(C=COC)CN;NIQVDGRJJBNQBD-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200628;MM200628;C=CC(C=COC)CO;FBKIWPZELUJAOT-UHFFFAOYSA-N;128.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200629;MM200629;COC=CC(C=O)CO;WPZODPBCNDLOIR-UHFFFAOYSA-N;130.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200630;MM200630;C=CC(C=COC)CF;QIIZOYLBARXPFW-UHFFFAOYSA-N;130.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200631;MM200631;COC=CC(C#N)CF;NLSRYQBUSICRSL-UHFFFAOYSA-N;129.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200632;MM200632;C=CC(C=CCF)NC;RHFJDGOEGUBTHB-UHFFFAOYSA-N;129.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200633;MM200633;C=CC(C=COC)NC;SBELTRWFCZRAIK-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200634;MM200634;C=CC(C=CCC)OC;JOBWDZBFEKOJND-UHFFFAOYSA-N;126.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200635;MM200635;C=CC(C=CCN)OC;AFZULCBNWBEDFE-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200636;MM200636;C=CC(C=CCO)OC;NINSSTFRPAYKDX-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200637;MM200637;C=CC(C=CCF)OC;DHVWTBHSEZMVCQ-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200638;MM200638;C=CC(C=COC)OC;JXNPYZJCADBAMP-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200639;MM200639;C=CC(C=NNC)CC;BGPGVDYLBNIENF-UHFFFAOYSA-N;126.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200640;MM200640;CNn1cnc(CO)c1C;XPIWSRDZFKLKDQ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200641;MM200641;C=CC(O)C1NC1C=CC;HOKRTBBZBFNWDF-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200642;MM200642;C=CC(O)C1NC1C=NN;ZBTFVLGPPFQWOZ-UHFFFAOYSA-N;141.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200643;MM200643;C=CC(C=NNC)CF;PUOGPXGYXIBYLQ-UHFFFAOYSA-N;130.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200644;MM200644;C=CC(C=NOC)CC;SLPMIMQWOMLUCN-UHFFFAOYSA-N;127.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200645;MM200645;CNN=CC1C(O)C1C#N;RKOFZPOVQAPQEY-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200646;MM200646;CCC(C#N)C=NOC;YJUAYJPJJWJWMC-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200647;MM200647;CN1Cc2cn(N)c(N)c21;PHIVEZFOCOIEMU-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200648;MM200648;C=CC(C=NOC)CF;QHLBBYRIMAMGJE-UHFFFAOYSA-N;131.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200649;MM200649;NN=C1OCC2(CO)OC12;GSKJTLGWADBZJC-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200650;MM200650;C=CC(C=NOC)OC;NDQOOFXDUIWBIG-UHFFFAOYSA-N;129.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200651;MM200651;ONc1cc[nH]n1;SAJZUJURCCJIPT-UHFFFAOYSA-N;99.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200652;MM200652;CCC=CN(C=N)CC;VIWBDBXKHVTDOL-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200653;MM200653;CCN(C=N)C=CCN;WFNKGHWYTPNHBE-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200654;MM200654;CCN(C=N)C=CCO;ULMVEFPBAVUDFP-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200655;MM200655;CCC=CN(C=O)CC;DDNJPYQQMRTFCY-UHFFFAOYSA-N;127.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200656;MM200656;CCN(C=O)C=CCF;WZICBRNIWSBJJJ-UHFFFAOYSA-N;131.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200657;MM200657;CNN(C=N)C=CCN;RKOFOTTUQFWBPH-UHFFFAOYSA-N;128.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200658;MM200658;CNN(C=N)C=CCO;LWILRJBBXZDTCM-UHFFFAOYSA-N;129.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200659;MM200659;CNN(C=N)C=CCF;ZVGHHIBRADAGFB-UHFFFAOYSA-N;131.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200660;MM200660;CCC=CN(C=O)NC;LYVYDJWWISPHNG-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200661;MM200661;C=CC(O)C1CN1C;HQQWBQRBMMFSBY-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200662;MM200662;CNN(C=O)C=CCF;SWDHMKLUVHJBFW-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200663;MM200663;CNN(C=N)C=COC;AORLPJSWEDRACC-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200664;MM200664;CNN(C=O)C=COC;YDWCEGPYVSUUSS-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200665;MM200665;CCC=CN(C=N)OC;FCQBNVRXQZJOPF-UHFFFAOYSA-N;128.18;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200666;MM200666;CON(C=N)C=CCN;KXNCZIFEENDUHA-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200667;MM200667;CON(C=O)C=CCN;NOONSYGKXOOINN-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200668;MM200668;CON(C=O)C=CCF;DMPALGCFLPAXIB-UHFFFAOYSA-N;133.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200669;MM200669;C=CN(C=NCC)CC;DIJLFIVLDYXUFO-UHFFFAOYSA-N;126.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200670;MM200670;CCN=CN(C=N)CC;LAORGWPFDGUBGX-UHFFFAOYSA-N;127.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200671;MM200671;C=NOCC(C)(O)CC;QPPXHZUTHVYTPM-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200672;MM200672;C=CN(C=NOC)CC;IHYAESLAMZDWPN-UHFFFAOYSA-N;128.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200673;MM200673;C=NN(C=NCC)CC;MKAZQMUUUXDQKB-UHFFFAOYSA-N;127.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200674;MM200674;CCN=CN(C=O)NC;KWZXBMQNMBFVSN-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200675;MM200675;CON=CN(C=N)OC;BNNLTBDZQRMCAZ-UHFFFAOYSA-N;131.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200676;MM200676;C=NOCC(O)CC=O;TUVWCGLHURQUML-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200677;MM200677;CCN(C=O)N=CCN;KDVDPSMAOJPIMZ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200678;MM200678;CC(O)C(C#N)=C(N)N;TZZQMBRTHPWPJN-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200679;MM200679;C=CC=CC(C=C)CC;IMJQMDUHTJWQNO-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200680;MM200680;C=CC(C=CC=O)CC;JXGKFJBEPNTXPJ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200681;MM200681;C=CC(C=CC#N)CC;XXHBDYCIPUUMFV-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200682;MM200682;C=CC=CC(C=O)CC;MGAPAGSQFHVRCC-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200683;MM200683;C=CC=CC(C#N)CC;IBJXIDJGFKRXNR-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200684;MM200684;CCC(C=O)C=CC=O;PIPXSEWKICBGLE-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200685;MM200685;CCC(C#N)C=CC=O;DQXLAXFHSNATGS-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200686;MM200686;CCC(C=O)C=CC#N;VWTJVMBPRSIQHH-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200687;MM200687;CCC(C#N)C=CC#N;ZGTMMSNUPWECTR-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200688;MM200688;C=CC=CC(C=C)CN;VQDGKZVQZWUWSR-UHFFFAOYSA-N;123.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200689;MM200689;C=NN(C=N)C(=N)CO;YCZIYZMBADFVEJ-UHFFFAOYSA-N;128.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200690;MM200690;N#CC(C=CC=O)CO;KYNORCHVDAHFNA-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200691;MM200691;C=CC(C=CC=O)CF;WUERGEQLRAQWAN-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200692;MM200692;C=CC(C=CC#N)CF;OPQKFRQHPVHUHA-UHFFFAOYSA-N;125.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200693;MM200693;C=CC=CC(C=O)CF;FAQGVRZIBKFPGZ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200694;MM200694;C=CC=CC(C#N)CF;BHBSSOZPIWYQQO-UHFFFAOYSA-N;125.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200695;MM200695;C=CC=CC(C=C)NC;UOXAITIXEREZEL-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200696;MM200696;CNC(C#N)C=CC=O;XPIIBBRNMGITNB-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200697;MM200697;CNC(C#N)C=CC#N;YPDYPWNAHLZRHA-UHFFFAOYSA-N;121.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200698;MM200698;C=CC(C=CC=O)OC;WRLMJPBPWWHABK-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200699;MM200699;C=CC(C=CC#N)OC;MJPSXGMRHYDFLX-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200700;MM200700;COC(C=O)C=CC#N;ACHYKBZCGQXIND-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200701;MM200701;C=CC(C=NN=C)CC;IVYWRADCBYBLEC-UHFFFAOYSA-N;124.19;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200702;MM200702;OCC1=NOC(CO)C1;FWZCYIZBEUOJME-UHFFFAOYSA-N;131.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200703;MM200703;C=NN=CC(C#N)CC;KJCLDCYTUJVGHP-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200704;MM200704;C=CC(C=NN=C)CN;ZGAVOZQQMJHYBB-UHFFFAOYSA-N;125.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200705;MM200705;C=CC(C=NN=C)CO;XXUSCGLFPJOQEK-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200706;MM200706;C=NN=CC(C=O)CO;VJPZCIXOEDDNKC-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200707;MM200707;C=CC(C=NN=C)CF;WJOWCFLMQJBKOK-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200708;MM200708;C=NN=CC(C#N)CF;USRZBLXAOIWRLU-UHFFFAOYSA-N;127.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200709;MM200709;C=CC(C=NN=C)OC;VWAOBBVVAPWCNT-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200710;MM200710;CNc1cc(NO)n[nH]1;QHMRMYOSLPEVKB-UHFFFAOYSA-N;128.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200711;MM200711;C=NN=CC(C#N)OC;CRBHTUSRZODULE-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200712;MM200712;C=CC=CN(C=N)CC;ZIQFHHMHTYNIJK-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200713;MM200713;CCN(C=O)C=CC#N;QFOZYIZWIREKGC-UHFFFAOYSA-N;124.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200714;MM200714;CNN(C=N)C=CC=O;APJPACCZDVRNKX-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200715;MM200715;CNN(C=O)C=CC=O;XBMWHHPRPRFXPB-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200716;MM200716;C=CC=CN(C=N)OC;CBXVAZDZESTCPZ-UHFFFAOYSA-N;126.16;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200717;MM200717;CCN(C=O)C=NC=O;AVEFVYXCUSUKMO-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200718;MM200718;C=CN(C=NN=C)CC;MPXJZTUJQJOROB-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200719;MM200719;C=NN=CN(C=O)CC;PKJVGADDNYIELK-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200720;MM200720;CNN(C=O)C=NC=N;NRIIGPNWTDCPRD-UHFFFAOYSA-N;128.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200721;MM200721;CNN(C=O)C=NC=O;XRUUOPJMSYSYRQ-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200722;MM200722;CON(C=O)C=NC=N;AQIRAIMGKLNHQQ-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200723;MM200723;CON(C=O)C=NC=O;XZAAQHDWNMAOJJ-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200724;MM200724;CCN(C=N)N=CC=O;MVIONPMHYGHKPC-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200725;MM200725;CCN(C=O)N=CC=O;GLDITGRQKQKYCS-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200726;MM200726;C#CC=CC(C=C)CC;PCWPAXWOLHPQKX-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200727;MM200727;C#CC=CC(C=O)CC;KEBIBGIJVUUWOH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200728;MM200728;C#CC=CC(C#N)CC;WZXUGPCVXGTORZ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200729;MM200729;C#CC=CC(C=C)CN;VOIMKVDQKDNFHS-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200730;MM200730;C#CC=CC(C=C)CF;XLMFFFZEIRWONE-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200731;MM200731;C#CC=CC(C=C)NC;HZHNBTWQJZIGSQ-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200732;MM200732;C#CC=CC(C#N)OC;AOKSYKDEYOVFCS-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200733;MM200733;C#CC=CN(C=O)CC;MYVJDIRHFONWBK-UHFFFAOYSA-N;123.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200734;MM200734;C#CC=CN(C=O)OC;BQIDUOYLNPCVGI-UHFFFAOYSA-N;125.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200735;MM200735;C#CC(C=CCC)CC;DXGLLKSZMXGMNE-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200736;MM200736;C#CC(C=CCN)CC;JTEMIRGVQUZKAF-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200737;MM200737;C#CC(C=CCO)CC;HZCFIYIJNWIDCJ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200738;MM200738;C#CC(C=CCF)CC;FWVYKDGDSOQNBG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200739;MM200739;CCc1coc(NC)n1;FBMXQDACXLWSLU-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200740;MM200740;C#CC(C=CCC)CF;WRGZNLUBUYUOSU-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200741;MM200741;C#CC(C=COC)CC;HTFJYKDQVOIBGQ-UHFFFAOYSA-N;124.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200742;MM200742;C#CC(C=COC)CF;FSRYBMNLJQEQFS-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200743;MM200743;C#CC(C=CCC)NC;GPPACJSYLYOCHG-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200744;MM200744;C#CC(C=CCC)OC;ABMJMRVKFDQVPR-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200745;MM200745;C#CC(C=COC)OC;KESSGBBPZRTKOT-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200746;MM200746;C#CC(C=NNC)CC;JINVGXPEKPMLKZ-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200747;MM200747;C#CC(C=NOC)CC;HJEAOBUUWPHOEV-UHFFFAOYSA-N;125.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200748;MM200748;C#CC(C=NOC)CN;LXDFBPWJHGLTOY-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200749;MM200749;C#CC(C=NNC)OC;ALXLFNAHQARTHT-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200750;MM200750;C#CC(C=CC=C)CC;UIBSKXBBMUQTKN-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200751;MM200751;C#CC(C=CC#N)CC;WZWBHVVIQIAOCH-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200752;MM200752;N=CN1CCC(O)C=N1;VQEJIENRIDPPJU-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200753;MM200753;C#CC(C=CC=C)CF;VUKVQDOECPZFMD-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200754;MM200754;C#CC(C=CC=O)CF;AEPQLVGWWAHXJU-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200755;MM200755;C#CC(C=CC#N)CF;OOKJGFQQIBTDCL-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200756;MM200756;C#CC(C=CC=C)NC;PHFCWCJWKBKWDO-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200757;MM200757;C#CC(C=CC=C)OC;FVKZBWWQSWWCRQ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200758;MM200758;C#CC(C=NN=C)CC;HVWRFVQGJXOWTQ-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200759;MM200759;C#CC(C=NN=C)CF;HTMMXDYZLKYDRS-UHFFFAOYSA-N;126.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200760;MM200760;C#CC(C=NN=C)OC;RTXNPAVEKMFDKU-UHFFFAOYSA-N;124.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200761;MM200761;C#CC=CC(C#C)CC;PLIVHJQTRDYCBY-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200762;MM200762;C#CC=CC(C#C)CN;ZRVXUZVRZYCPPA-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200763;MM200763;C=CC(O)C1NC1CF;NBWPXWOXYBWGDY-UHFFFAOYSA-N;131.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200764;MM200764;C#CC=CC(C#C)CF;VTOOFTUHCQPIKZ-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200765;MM200765;C#CC=CC(C#C)NC;MHXNDPUEASMKJF-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200766;MM200766;C#CC=CC(C#C)OC;GOHUTJYVYLTDLV-UHFFFAOYSA-N;120.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200767;MM200767;C=CC(C=C)C=CCC;LCZQVELUGFYQHV-UHFFFAOYSA-N;122.21;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200768;MM200768;C=CC(C=C)C=CCN;ITAOPXGUSXVEDU-UHFFFAOYSA-N;123.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200769;MM200769;C=CC(C=C)C=CCO;RREDGMDGXVTKAO-UHFFFAOYSA-N;124.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200770;MM200770;C=CC(C=C)C=CCF;AZKQCGRJBTXYJX-UHFFFAOYSA-N;126.17;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200771;MM200771;C=CC(C=O)C=CCC;OORWVSSARMBGDA-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200772;MM200772;C=CC(C#N)C=CCC;CUYVUQQSCNHFRO-UHFFFAOYSA-N;121.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200773;MM200773;C=CC(C=O)C=CCO;KJMTUYBJMYWRHR-UHFFFAOYSA-N;126.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200774;MM200774;C=CC(C=O)C=CCF;KRGWDRUULDQNCB-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200775;MM200775;C=CC(C#N)C=CCF;XLZMAICEKHLPSG-UHFFFAOYSA-N;125.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200776;MM200776;CCC=CC(C#N)C#N;YKQVLKCIEYBTJD-UHFFFAOYSA-N;120.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200777;MM200777;N#CC(C#N)C=CCO;IATVWNGHURNRAP-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200778;MM200778;N#CC(C=O)C=CCF;HRQDGYODQWQTDK-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200779;MM200779;N#CC(C#N)C=CCF;GGHCZNUPSDGSMI-UHFFFAOYSA-N;124.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200780;MM200780;C=CC(C=C)C=COC;QQXZSPRQTDOTDK-UHFFFAOYSA-N;124.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200781;MM200781;C=CC(C=O)C=COC;PCSHRQJQCCSGMI-UHFFFAOYSA-N;126.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200782;MM200782;C=CC(C#N)C=COC;GSOWMUQEFGQTKU-UHFFFAOYSA-N;123.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200783;MM200783;C=CC(C=C)C=NNC;CDZXMJPMBQQVKV-UHFFFAOYSA-N;124.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200784;MM200784;C=CC(O)C1C(C)N1C;JYONHUZYCVXYTF-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200785;MM200785;C=CC(C=C)C=NOC;HAFKEGJNUYHQKF-UHFFFAOYSA-N;125.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200786;MM200786;C=CC(C#N)C=NOC;NXYYTOOCZRSAFK-UHFFFAOYSA-N;124.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200787;MM200787;OCC#CC1NC1CO;XDIHRTGIVVJZHW-UHFFFAOYSA-N;127.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200788;MM200788;CC(=NN)N(O)C(C)(C)C;YBOQFVQNTSEBDJ-UHFFFAOYSA-N;145.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200789;MM200789;C=CN(C=N)C=CCC;ORVPITMZRPNBOS-UHFFFAOYSA-N;124.19;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200790;MM200790;C=CN(C=N)C=CCN;UYMFORFCPCJHCR-UHFFFAOYSA-N;125.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200791;MM200791;C=CN(C=O)C=CCC;IVKLDDYYPPKNPG-UHFFFAOYSA-N;125.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200792;MM200792;C=CN(C=O)C=CCN;QAVKXWPXIRBLCT-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200793;MM200793;N=CN(C=N)C=CCN;JGZIOEKRUFYDIN-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200794;MM200794;N=CN(C=N)C=CCO;IBKKBEOCPNYMMF-UHFFFAOYSA-N;127.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200795;MM200795;N=CN(C=O)C=CCN;ADSOTWDAOHPICJ-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200796;MM200796;C=NNCC(O)C=C(F)F;PDALPTYZZRLQKX-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200797;MM200797;N=CN(C=O)C=CCF;GXAIVLIWIPBANO-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200798;MM200798;NCC=CN(C=O)C=O;ZJZZQMPXFIXOEH-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200799;MM200799;O=CN(C=O)C=CCO;DLURZZSWLALNTP-UHFFFAOYSA-N;129.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200800;MM200800;O=CN(C=O)C=CCF;MQGCATKXQDXIJE-UHFFFAOYSA-N;131.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200801;MM200801;C=NN(C=N)C=CCN;ZEKCYIAXXUEJRW-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200802;MM200802;CC=NOCC(C)(O)CC;RKEPYZJTRQBTQF-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200803;MM200803;C=NN(C=O)C=CCN;AEQOOMJFAUDFPL-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200804;MM200804;C=C(C)C(O)CN(N)C=O;DILMKQXBENLUGL-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200805;MM200805;C=CN(C=C)C=NCC;VDNDDDFFALODOB-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200806;MM200806;CCN=CN(C=N)C=O;JMSZZOONVLYMHD-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200807;MM200807;CCN=CN(C=O)C=O;GBQKLXUJKYCMFB-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200808;MM200808;CON=CN(C=N)C=O;PIXMITCAUWJJFG-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200809;MM200809;C=CN(C=NCC)N=C;DYZNLWCCEYJYAS-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200810;MM200810;C=CN(C=N)N=CCC;WPPINJXBNWICEL-UHFFFAOYSA-N;125.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200811;MM200811;C=CN(C=O)N=CCN;AJFRDRAPXCZUPH-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200812;MM200812;CCC=NN(C=N)C=N;WUWPIRNULXFJCR-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200813;MM200813;C=NN(C)CC(O)C(=C)C;FODQMKHRYILBEC-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200814;MM200814;CC(=NOC(N)=O)N(C)N;WVNRQTSJUVFYDP-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200815;MM200815;N=CN(C=O)N=CCN;DHDSJIGTKAHUIB-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200816;MM200816;CCC(O)C=NOC(C)C;CDYPDFGBSNTCEF-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200817;MM200817;CCN(N)C=NOC(N)=O;SUHZUXZXEHBWCB-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200818;MM200818;NCC=NN(C=O)C=O;GTQRDXRIPPYOIC-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200819;MM200819;O=CN(C=O)N=CCO;MAZVMTQTEYDNOC-UHFFFAOYSA-N;130.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200820;MM200820;CNN(C)C=NOC(N)=O;XSODLSLTSJGTRI-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200821;MM200821;C=CC=CC(C=C)C=C;FXWIDAXQWUUZQV-UHFFFAOYSA-N;120.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200822;MM200822;C=CC(C=C)C=CC#N;VJQQCXOEQDMTIW-UHFFFAOYSA-N;119.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200823;MM200823;C=CC=CC(C=C)C=O;GGXMJJRWGQLPFJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200824;MM200824;C=CC=CC(C#N)C=C;NHYOHINGQJYFEJ-UHFFFAOYSA-N;119.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200825;MM200825;C=CC(C=O)C=CC=O;JOLPXBSRSPWYIA-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200826;MM200826;C=CC(C#N)C=CC#N;FTLJYIOLILSFAF-UHFFFAOYSA-N;118.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200827;MM200827;C=CC=CC(C=O)C=O;SRWFMZDUAQMQSD-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200828;MM200828;C=CC=CC(C#N)C#N;SGVDXYKCGHWHDJ-UHFFFAOYSA-N;118.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200829;MM200829;C=CC(C=C)C=NN=C;HBICVIHVYTWHNF-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200830;MM200830;C=NOC(=N)N(O)CCO;BLNWFRHXAGICQX-UHFFFAOYSA-N;147.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200831;MM200831;C=CC(C#N)C=NN=C;VFLISHBAAGJIFO-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200832;MM200832;C=NN=CC(C=O)C=O;GLTCMWAPMJCTQD-UHFFFAOYSA-N;126.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200833;MM200833;C=CC=CN(C=C)C=N;DSYOLMQPGKTBQN-UHFFFAOYSA-N;122.17;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200834;MM200834;C=CC=CN(C=C)C=O;JCWWVNLXOGQYSD-UHFFFAOYSA-N;123.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200835;MM200835;N=CN(C=O)C=CC=O;HULHUPFCLIQZMO-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200836;MM200836;C=CC=CN(C=O)C=O;KOSRWMQSYNCDLW-UHFFFAOYSA-N;125.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200837;MM200837;O=CC=CN(C=O)C=O;OENQPJUIFWMJOR-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200838;MM200838;C=NN(C=N)C=CC=O;OEFQZTAJYQYPIF-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200839;MM200839;C=CC=CN(C=O)N=C;MHSOAIYTMLMAFZ-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200840;MM200840;N=CN=CN(C=O)C=O;GMZIZZVLZRWMTC-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200841;MM200841;C=CN(C=C)C=NN=C;MYXKLJRRIMBTAQ-UHFFFAOYSA-N;123.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200842;MM200842;C=NN(C=O)C=NC=O;ABFFTKUXOASLST-UHFFFAOYSA-N;127.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200843;MM200843;C=CN(C=N)N=CC=O;MCYZFJFRURGUJB-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200844;MM200844;C=CC=NN(C=C)C=O;NQVZRZZAMUCYKX-UHFFFAOYSA-N;124.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200845;MM200845;N=CN(C=N)N=CC=O;FFRYGRZHSBIMIU-UHFFFAOYSA-N;126.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200846;MM200846;C=CC=NN(C=N)C=O;AHSBUMNJKAEWCD-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200847;MM200847;N=CN(C=O)N=CC=O;KTSPJPNDXSIVKS-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200848;MM200848;O=CC=NN(C=O)C=O;SAKQIVWIYKOXPG-UHFFFAOYSA-N;128.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200849;MM200849;C#CC=CC(C=C)C=C;NBBDGZWLXINNCY-UHFFFAOYSA-N;118.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200850;MM200850;C#CC=CC(C=C)C=O;NSTKTPQZPGDDDD-UHFFFAOYSA-N;120.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200851;MM200851;C#CC=CC(C#N)C=C;ZQMCELYTBYARNI-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200852;MM200852;C#CC=CN(C=C)C=N;BJMOPWSTTCZEJL-UHFFFAOYSA-N;120.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200853;MM200853;C#CC=NN(C=N)C=N;GTPCTABXNGAJLJ-UHFFFAOYSA-N;122.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200854;MM200854;C#CC=NN(C=O)C=O;VFEIDRAXDPFEHS-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200855;MM200855;C#CC(C=C)C=CCC;XVFALBUAGOFZLD-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200856;MM200856;C#CC(C=C)C=CCN;NVKXPPMUFLOXKP-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200857;MM200857;C#CC(C=C)C=CCF;SWRCENZWMPTBNS-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200858;MM200858;C#CC(C=O)C=CCC;RPRMXCAXUMIAKM-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200859;MM200859;C#CC(C#N)C=CCC;BVSRUURIWWTLGF-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200860;MM200860;C#CC(C#N)C=CCF;JXGLQEAZCXUYCE-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200861;MM200861;C#CC(C=C)C=COC;PZVFGLXOWRQIJT-UHFFFAOYSA-N;122.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200862;MM200862;C#CC(C#N)C=COC;ZAMHSIVIQOJHPS-UHFFFAOYSA-N;121.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200863;MM200863;C#CC(C=C)C=NNC;NGBZKQUZGLADMR-UHFFFAOYSA-N;122.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200864;MM200864;C#CC(C=C)C=NOC;SFNFISLCOJZSDY-UHFFFAOYSA-N;123.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200865;MM200865;C#CC(C#N)C=NOC;HZIDKIVKCWHYOO-UHFFFAOYSA-N;122.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200866;MM200866;C#CC(C=C)C=CC=C;VNTLJTZHIOYMBW-UHFFFAOYSA-N;118.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200867;MM200867;C#CC(C=C)C=CC#N;RPMKUFQIZSBAAU-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200868;MM200868;C#CC(C#N)C=CC=C;ZYGFDZNOZJCMTJ-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200869;MM200869;C#CC(C=C)C=NN=C;DYDIKFLMLZENPM-UHFFFAOYSA-N;120.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200870;MM200870;C=NOC(=N)N(O)CC=O;YPSOJTMSYIYIQZ-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200871;MM200871;C#CC(C#N)C=NN=C;ZULDLNKNWXFCNO-UHFFFAOYSA-N;119.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200872;MM200872;C#CC=CC(C#C)C=C;IEOXAPMEQFYKLR-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200873;MM200873;C#CC=CC(C#C)C=O;DYFPVCPNGOZDJD-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200874;MM200874;C#CC=CC(C#C)C#N;ZYLDTSQVYZVHST-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200875;MM200875;C#CC(C#C)C=CCC;HITWOSBEKONRTO-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200876;MM200876;C#CC(C#C)C=CCN;RCXHLQJBGNXQPL-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200877;MM200877;C#CC(C#C)C=CCO;URWZDUQRINTTMU-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200878;MM200878;C#CC(C#C)C=CCF;BNMXMSBPXRQFDW-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200879;MM200879;C#CC(C#C)C=COC;MMQBUSKBCCHIPS-UHFFFAOYSA-N;120.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200880;MM200880;C#CC(C#C)C=NOC;NSEURCCWBOIXQD-UHFFFAOYSA-N;121.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200881;MM200881;C#CC(C#C)C=CC=C;AEDAZGFIWNZFTR-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200882;MM200882;C#CC(C#C)C=CC=O;IBKFNYMXMVQEOC-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200883;MM200883;C#CC(C#C)C=CC#N;GBWBEAWKKHSNHK-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200884;MM200884;C#CC(C#C)C=NN=C;XAVJVCHAODDKBX-UHFFFAOYSA-N;118.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200885;MM200885;C#CC=CC(C#C)C#C;FFBVZIFZORUAKK-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200886;MM200886;CC=C(C=CCC)CC;XGAWMSJRPQPWSR-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200887;MM200887;CC=C(C=CCN)CC;JAPHUJABOGRNRJ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200888;MM200888;CC=C(C=CCO)CC;GPQGXUVSYSVWSN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200889;MM200889;CC=C(C=CCF)CC;CRRORHNJRUMXBY-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200890;MM200890;CCC=CC(=CF)CC;KWJLTJAXYLOROJ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200891;MM200891;CCC(C=CCN)=CF;XQUDWMKKIJRRHI-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200892;MM200892;CCC(C=CCO)=CF;AZPMFLMBDXKYDM-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200893;MM200893;CCC(C=CCF)=CF;YCBGGHISGAWQFZ-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200894;MM200894;CC=C(C=CCC)CN;LFCGDLBPRZDHSN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200895;MM200895;CC=C(C=CCO)CN;PMSBUTSLWLFZQI-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200896;MM200896;CC=C(C=CCF)CN;WTYCJOZVJHEDAM-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200897;MM200897;CCC=CC(=CF)CN;BWTAAZHJDZWBQA-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200898;MM200898;NCC=CC(=CF)CN;OOQHGCYGLBOVIK-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200899;MM200899;CC=C(C=CCC)CO;NXKGOGPDOFNLMY-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200900;MM200900;CC=C(C=CCN)CO;WTOLAAXMHRKNQK-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200901;MM200901;CC=C(C=CCO)CO;SVMNCLRODUZYKT-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200902;MM200902;CC=C(C=CCF)CO;JORDBEISVIXLSB-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200903;MM200903;OCC(C=CCF)=CF;SQSXHAPMVPMJBM-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200904;MM200904;CC=C(C=CCN)CF;KDJMZCACXQRHRL-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200905;MM200905;CC=C(C=CCO)CF;YJPDSINJQPBEBK-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200906;MM200906;CC=C(C=CCF)CF;OOHAVFVDPOUADI-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200907;MM200907;NCC=CC(=CF)CF;CDKREQVXSVZOGW-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200908;MM200908;OCC=CC(=CF)CF;OXNNNHUZTOCJGN-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200909;MM200909;FC=C(C=CCF)CF;NTBLNXHAHZZBFT-UHFFFAOYSA-N;136.12;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200910;MM200910;CC=C(C=COC)CC;IYXCCOZHYRFTMY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200911;MM200911;CCC(C=COC)=CF;PPADAPSOVIPMJY-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200912;MM200912;CC=C(C=COC)CN;QJSCEBPEVCETAA-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200913;MM200913;CC=C(C=COC)CO;CEJKBGCGNLGITF-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200914;MM200914;COC=CC(=CF)CO;CTKFVYWQGBZJPJ-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200915;MM200915;CCC=CC(CC)=NN;JPGODRJEIFJBFI-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200916;MM200916;CCC(=NOC(N)=O)NN;MFLMFCFFZKQSSU-UHFFFAOYSA-N;146.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200917;MM200917;CCC(C=CCF)=NN;PJLSXDBYMQZLOE-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200918;MM200918;CC=CCC(O)C=NNC;GUFWZWRABAKBQH-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200919;MM200919;CCC(C=CCO)=NO;RDBBBERSGJAUKX-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200920;MM200920;CCC(C=CCF)=NO;ZMHLJIHTVXUNMF-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200921;MM200921;C=NNCC(O)C(C)=CC;DAFHWWKMZWSIAU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200922;MM200922;NCC=CC(CO)=NO;CEAOPIMWNICMOJ-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200923;MM200923;OCC=CC(CO)=NO;FXXDFRJESZIAPF-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200924;MM200924;CN=CC=C(CN)NO;BDMYDOLYSTVLKZ-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200925;MM200925;CN=CC=C(CF)NN;PEMZWSWFTNANDC-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200926;MM200926;CCC(C=COC)=NN;LYNDTRIJADHQIU-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200927;MM200927;CCC(C=COC)=NO;IVFVUBNFWCXSQT-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200928;MM200928;CC(=CNC=O)C(C)=NN;QQEXZTRXSNLILU-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200929;MM200929;CCC=CC(=NC)NC;BBGSQQOHPLBGKL-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200930;MM200930;CN=C(C=CCO)NC;VYBFIVOORZQDKC-UHFFFAOYSA-N;128.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200931;MM200931;CCC=CC(=NN)NC;AHSIFBAVCBSVHG-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200932;MM200932;CCC(O)C=NOCC=O;ZHUDGLJPCUKCEW-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200933;MM200933;CN=C(C=CCN)NO;IGQVWZTVNXXCGB-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200934;MM200934;CN=C(C=CCO)NO;DJJKMCKHNKLCJJ-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200935;MM200935;CCC(O)C=NOC=NN;LBRJAFPCFUPZDF-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200936;MM200936;CCC=CC(=NO)NO;XVKKMCYWKDIEGN-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200937;MM200937;NCC=CC(=NO)NO;OBTQMDCIAXQKMC-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200938;MM200938;OCC=CC(=NO)NO;QLNMNWFDDQADPX-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200939;MM200939;CNC=CC(=NN)NC;DTEJIXZEHZKYRH-UHFFFAOYSA-N;128.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200940;MM200940;CON(C=CF)C(=N)CO;WSCAOTYQNBSQQI-UHFFFAOYSA-N;148.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200941;MM200941;CC=C(C=CCC)OC;PMKQBKJJFROOIM-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200942;MM200942;CC=C(C=CCN)OC;GYFGHZBGZAWTIS-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200943;MM200943;CC=C(C=CCO)OC;UZHYDOCSTVZUML-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200944;MM200944;CC=C(C=CCF)OC;CVFUANCRBBVQCB-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200945;MM200945;COC(C=CCN)=CF;QROMFACFHLEQOP-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200946;MM200946;COC(C=CCO)=CF;CPBZWQGNBFHPJF-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200947;MM200947;CC=C(C=COC)OC;YTHWXLHXCIMRSU-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200948;MM200948;COC=CC(=CF)OC;KEYZIZZCQWWTMF-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200949;MM200949;CC=NN(C=N)C(=N)CO;PPWDYAIYEMIWRQ-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200950;MM200950;CCC=CC(=NO)OC;FJQYVTNOWPXFOH-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200951;MM200951;COC(C=CCO)=NO;KYWAZQYKHJULHI-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200952;MM200952;NN=CC(=NN)C(F)CO;SVBQCPPQSYGZTO-UHFFFAOYSA-N;148.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200953;MM200953;CC=C(C=NNC)CC;FMXAKUMWBMXXOA-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200954;MM200954;CNN=CC(=CN)CN;IQKHPYNESNSSEO-UHFFFAOYSA-N;128.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200955;MM200955;C#CCNC(CO)=NOC;HYPCQRDBFDPGFT-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200956;MM200956;CC=C(C=NNC)CF;SRCZQXGMUGKUAN-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200957;MM200957;CC=C(C=NOC)CC;QHVDHWZJUQWDLF-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200958;MM200958;CCC(C=NOC)=CF;CHKJWNAGFUYODH-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200959;MM200959;C=CN=C(CO)NOC=O;ZJJPHHQYUTZPHB-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200960;MM200960;CC=C(C=NOC)CF;INFXYFXRBXSINP-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200961;MM200961;C=CN(O)C(=NC)C(N)=O;YMYNDTOXZOXMGK-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200962;MM200962;CNC(N)=C(C#N)C(C)O;USTAEHBFYCAOFT-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200963;MM200963;Nn1c(=O)c(=O)ccn1O;WAMYYGJXXQMVQL-UHFFFAOYSA-N;143.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200964;MM200964;CCc1cn(O)n(N)c1=O;VOIPZTSQKYMYQB-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200965;MM200965;C=Cc1cn(O)n(N)c1=O;PRUHBQSZLOFYGR-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200966;MM200966;CC=C(C=NNC)OC;WNSVRBBDXOQDND-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200967;MM200967;CC=C(C=NOC)OC;AFTVWKUTZVKPJJ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200968;MM200968;CON=CC(=CF)OC;QBVFZZHJWLLHPU-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200969;MM200969;COC(=NO)NC=NO;VWPHIRXFHTZJKA-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200970;MM200970;C=CC=CC(=CC)CC;DBYFXLRDRWYGGR-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200971;MM200971;CC=C(C=CC=O)CC;ZEQVYJRHVMTDHB-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200972;MM200972;CC=C(C=CC#N)CC;PNRQFIHAISANJO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200973;MM200973;C=CC=CC(=CF)CC;VAWRUUFKBPPMNP-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200974;MM200974;CCC(C=CC=O)=CF;TYMWMMIQZRSFTL-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200975;MM200975;CCC(C=CC#N)=CF;PPZPJNGCACMLQX-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200976;MM200976;C=CC=CC(=CC)CN;ZSLFFXKZKKBZLW-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200977;MM200977;C=CC=CC(=CF)CN;PZULIIWXWIKINM-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200978;MM200978;N=c1oc(CO)c(F)n1N;MGPXJYPNXZRMIN-UHFFFAOYSA-N;147.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200979;MM200979;N#CC#Cc1cc(N)n[nH]1;BRWFXGLXVVTFCS-UHFFFAOYSA-N;132.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200980;MM200980;CC=C(C=CC#N)CO;OPFHOAIPZIHJIY-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200981;MM200981;C=CC=CC(=CF)CO;XMDJVRORVTZNIM-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200982;MM200982;C=CC=CC(=CC)CF;XJQLCTWPSXFICM-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200983;MM200983;CC=C(C=CC=O)CF;NFHWNWWOGQPQQR-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200984;MM200984;CC=C(C=CC#N)CF;SKDOBLCNFDRZKE-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200985;MM200985;C=CC=CC(=CF)CF;QMRVLHZUDMMQOX-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200986;MM200986;O=CC=CC(=CF)CF;CUCLFRWADNPHCA-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200987;MM200987;N#CC=CC(=CF)CF;PFQDZMIXJMJPMJ-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200988;MM200988;C=CC=CC(CC)=NN;WLLWKNATXNNLEC-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200989;MM200989;NN=CN(O)C(=CF)CF;WKJQNSQAPVDGSJ-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200990;MM200990;CCC(C=CC=O)=NO;XGZSXDRTYRGBRO-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200991;MM200991;C=CC=CC(CN)=NO;SJWSCNFOTDPENW-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200992;MM200992;N#Cc1nn[nH]n1;CKDZEXUCUNHQIY-UHFFFAOYSA-N;95.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200993;MM200993;CN=C(C=CC#N)NC;KKSWUUCUINCTEN-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200994;MM200994;C=CC=CC(=NO)NO;RTUPBSXRZJYHMB-UHFFFAOYSA-N;128.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200995;MM200995;O=CC=CC(=NO)NO;GDHFCPMVUPILRG-UHFFFAOYSA-N;130.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200996;MM200996;C=CC=CC(=CC)OC;TYGMTOXMXZCPJZ-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200997;MM200997;CC=C(C=CC=O)OC;BOQOALPCCCXWAA-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200998;MM200998;CC=C(C=CC#N)OC;UXWLVQGMJABGIS-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM200999;MM200999;COC(C=CC=O)=CF;KLHNZKQLFMDDCX-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201000;MM201000;COC(C=CC#N)=CF;ZXGSANMQJBATHW-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201001;MM201001;CCCc1coc(NC)n1;YEYCLOMKIIVJTH-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201002;MM201002;C=CC=CC(=NO)OC;UXHOJCBDQFJCKF-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201003;MM201003;C=NN=CC(=CC)CC;IEAGRSORVIWEQX-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201004;MM201004;C=NN=CC(=CN)CC;QQVZNXHBCGJEBH-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201005;MM201005;C=NN=CC(=CF)CC;YDZRSYIOMZKXBG-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201006;MM201006;C=NN=CC(=CC)CN;XMHJELWXRGUJPI-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201007;MM201007;C=NN=CC(=CF)CN;QVNSOALQGVJUBC-UHFFFAOYSA-N;129.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201008;MM201008;C=NN=CC(=CC)CO;RVJQKYZOFZWFBU-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201009;MM201009;C=NN=CC(=CC)CF;OKSVEVHGSHDPNK-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201010;MM201010;C=NN=CC(=CF)CF;VIJJRFAUMUQOHF-UHFFFAOYSA-N;132.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201011;MM201011;Cn1c(N)nnnc1=NN;XIYQVNOGXBGPNV-UHFFFAOYSA-N;141.14;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201012;MM201012;C=NN=CC(CC)=NO;WPXUDWDDJUWJSB-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201013;MM201013;CCc1[nH]nc(NO)c1C;WLQHBHFQLLHGNT-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201014;MM201014;COc1onc(O)c1C;IRHAFKWXHBABCE-UHFFFAOYSA-N;129.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201015;MM201015;C=Cn1cnc(CO)c1C;GLLKFGFZIBXSTG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201016;MM201016;C=NN=CC(=CC)OC;MTYCZAZNHKXKGW-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201017;MM201017;C=NN=CC(=CN)OC;FOODKOUINORJLY-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201018;MM201018;C=NN=CC(=CF)OC;KBNMZXFOTGPCOZ-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201019;MM201019;N#CC=C1NC2C(O)C2N1;RBIPYOWPBZMADL-UHFFFAOYSA-N;137.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201020;MM201020;C#CC=CC(=CC)CC;HOELLRKCPYJMDR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201021;MM201021;C#CC=CC(=CF)CC;KWUMHHIGEFMNCZ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201022;MM201022;C#CC=CC(=CC)CN;JRXUTKFDULJUOO-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201023;MM201023;C#CC=CC(=CC)CO;JJYSGUVMBYHIDC-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201024;MM201024;C#CC=CC(=CF)CO;VMZKOODXLJNXDI-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201025;MM201025;C#CC=CC(=CC)CF;BWBJQYNSALSKJT-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201026;MM201026;C#CC=CC(=CF)CF;MGTQXISPNDCIGF-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201027;MM201027;C#CC=CC(CC)=NN;AMUBJZOYLJOQAV-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201028;MM201028;C#CC=CC(CC)=NO;OYLSIWNBDZENBS-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201029;MM201029;C#CC=CC(=NC)NC;KUTYAPOOERXHJR-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201030;MM201030;C#CC=CC(=NC)NN;HBGHPHXLAFNRPI-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201031;MM201031;C#CC=CC(=CC)OC;YFESRGKCULHUOS-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201032;MM201032;C=CC(C=CCC)=CC;FTRIPKUOEDLJEJ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201033;MM201033;C=CC(C=CCN)=CC;LONMGCPGKVDZQH-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201034;MM201034;C=CC(C=CCO)=CC;HHRWKBTWFPDSTA-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201035;MM201035;C=CC(C=CCF)=CC;AEJIIEJXOLGQOT-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201036;MM201036;C=CC(C=CCN)=CF;SGEVAKGWSVNWJU-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201037;MM201037;C=CC(C=CCO)=CF;YNUTYOYBCSHXTR-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201038;MM201038;C=CC(C=CCF)=CF;SETJWTGDCWBPGY-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201039;MM201039;CC=C(C=O)C=CCC;PRHPPBJKAONMII-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201040;MM201040;CC=C(C#N)C=CCC;DLXRBBWJQTYEMX-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201041;MM201041;CC=C(C=O)C=CCO;HLSYFKWHMUVFKB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201042;MM201042;CC=C(C#N)C=CCO;VQPXTBNKMMPCJB-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201043;MM201043;CC=C(C=O)C=CCF;WUKYTVLRHZMPDS-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201044;MM201044;CC=C(C#N)C=CCF;ZWTSEBDKILUDIN-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201045;MM201045;CCC=CC(C#N)=CN;INVXUEXXPKGFKZ-UHFFFAOYSA-N;122.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201046;MM201046;NC=C(C=O)C=CCO;MHLXANOCFMLQQA-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201047;MM201047;CCC=CC(C#N)=CF;HFOOVCBVVFYMMD-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201048;MM201048;N#CC(C=CCO)=CF;HZGDDQACNWYTRX-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201049;MM201049;N#CC(C=CCF)=CF;QIDGLNNOVIPBAB-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201050;MM201050;C=CC(C=COC)=CC;QUDJYVDATWPHOX-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201051;MM201051;C=CC(C=COC)=CF;QBOVYSLAEYYRRJ-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201052;MM201052;CC=C(C=O)C=COC;SXKTTZLZINGICP-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201053;MM201053;CC=C(C#N)C=COC;LOSDUPNGUIWRFV-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201054;MM201054;COC=CC(C=O)=CN;RMKBUTKMCKCQMS-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201055;MM201055;COC=CC(C=O)=CF;MMVRWLXQCUZRHZ-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201056;MM201056;COC=CC(C#N)=CF;CFHXSHLHJSTXTE-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201057;MM201057;C=CC(C=CCC)=NN;KNSMHYKEERJONZ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201058;MM201058;C=CC(O)C1NC1CC#N;ASGGHPJPOOILHW-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201059;MM201059;C=CC(C=CCF)=NN;ULQRNUBRKNUKMH-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201060;MM201060;C#CCN1CC1C(O)C=C;ITDDWZAGSMNSTD-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201061;MM201061;C=CC(C=CCF)=NO;REYKHULHEOLWON-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201062;MM201062;C=CC(=CC=NC)NN;HEGRVBKUVFCVFP-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201063;MM201063;C=CC(=CC=NC)NO;RXMIEKXEGDMXSH-UHFFFAOYSA-N;126.16;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201064;MM201064;C=CC(C=COC)=NN;FXQXORMIHQQZJV-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201065;MM201065;C=CC(C=COC)=NO;VDRVLJUSMUATKK-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201066;MM201066;C=CC(C=NNC)=CC;BIUJVTVLUHLVOZ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201067;MM201067;C=CC(C=NOC)=CC;NUSHJJWAASWISZ-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201068;MM201068;C=CC(C=NOC)=CF;PGJTWGLVKBOGSQ-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201069;MM201069;CC=C(C#N)C=NOC;DPMYKMDOFLTFEI-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201070;MM201070;CON=CC(C=O)=CN;ZPKGUAUXORZSIL-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201071;MM201071;OCC#CCNN=CCO;HWIWZQYIDYGHGU-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201072;MM201072;CN1C(C#CCO)C1CO;JLVMXKWFHFBGCY-UHFFFAOYSA-N;141.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201073;MM201073;C=CC=CC(C=C)=CC;MEECDUZBWWRYRG-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201074;MM201074;C=CC(C=CC=O)=CC;XQCHYLRDYSMENZ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201075;MM201075;C=CC(C=CC#N)=CC;UOTBUTAUHVHJNJ-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201076;MM201076;C=CC=CC(C=C)=CF;HEGLRTOWOMRPLG-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201077;MM201077;C=CC(C=CC=O)=CF;RTWXOTXNGODUBN-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201078;MM201078;C=CC(C=CC#N)=CF;NLUGTIFEGILRPC-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201079;MM201079;C=CC=CC(C=O)=CC;QKWCXCFXGXUAMZ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201080;MM201080;C=CC=CC(C#N)=CC;GQPFSWFNFLJHDX-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201081;MM201081;CC=C(C=O)C=CC=O;JMERAKUIPFTORG-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201082;MM201082;CC=C(C#N)C=CC=O;WYTVHCHAXBGEMY-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201083;MM201083;CC=C(C=O)C=CC#N;WAFBFQWJPBIAMO-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201084;MM201084;CC=C(C#N)C=CC#N;REJOFDGNBFYOGX-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201085;MM201085;C=CC=CC(C#N)=CN;NSEMGHOATVFQEZ-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201086;MM201086;NC=C(C=O)C=CC=O;YXULOSWLJYBJIE-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201087;MM201087;N#CC(C=CC=O)=CN;ZDAZOVXBYBPHHK-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201088;MM201088;N#CC=CC(C#N)=CN;LOVNPCBVZRJWNA-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201089;MM201089;C=CC=CC(C=O)=CF;CDMZXWNCJKMTOP-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201090;MM201090;C=CC=CC(C#N)=CF;XZMCZUFYAJYXLM-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201091;MM201091;O=CC=CC(C=O)=CF;MKJDSDCPJGNNJR-UHFFFAOYSA-N;128.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201092;MM201092;N#CC(C=CC=O)=CF;ZMOASVZJPFJKKA-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201093;MM201093;N#CC=CC(C=O)=CF;UFKBCCHLKTUKEA-UHFFFAOYSA-N;125.1;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201094;MM201094;N#CC=CC(C#N)=CF;FIONQWRTDLHCGU-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201095;MM201095;C=CC=CC(C=C)=NN;ARPVXKFJTNPDFG-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201096;MM201096;CNCC(=O)C#N;JASKUKUMEXSMDK-UHFFFAOYSA-N;98.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201097;MM201097;C=CC(C=CC=O)=NO;MMLGAGFMNNJIPK-UHFFFAOYSA-N;125.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201098;MM201098;C=CC(C=CC#N)=NO;NIVROBWTNJOJAX-UHFFFAOYSA-N;122.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201099;MM201099;CC#Cc1ncc(O)o1;DFXWVNJEFWSUGF-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201100;MM201100;C=CC(C=NN=C)=CC;NHYALHZLZXQJKM-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201101;MM201101;C=CC(C=NN=C)=CN;VIQLDPKWEISZSD-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201102;MM201102;C=CC(C=NN=C)=CF;PPMDJRYOVAWTJD-UHFFFAOYSA-N;126.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201103;MM201103;C=NN=CC(C=O)=CC;JWRUDBJEERBHAT-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201104;MM201104;C=NN=CC(C#N)=CC;KGXXCIFYOYBQKJ-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201105;MM201105;CC(=NN)C(F)CO;LODYEOVMADDUPY-UHFFFAOYSA-N;120.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201106;MM201106;C=NN=CC(C=O)=CF;KKMPSCAGKQHJQL-UHFFFAOYSA-N;128.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201107;MM201107;C=NN=CC(C#N)=CF;OMJLLHOGPNMUHP-UHFFFAOYSA-N;125.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201108;MM201108;C=NOC(CO)CO;ZGXXUDGEWVPWBC-UHFFFAOYSA-N;119.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201109;MM201109;C=CC(C=NN=C)=NO;RVDDHFZTRSPDHH-UHFFFAOYSA-N;125.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201110;MM201110;C#CC=CC(C=C)=CC;JLFGXFAZFVIGRZ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201111;MM201111;C#CC=CC(C=C)=CF;VJKGLHLIMVKLMU-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201112;MM201112;C#CC=CC(C=O)=CC;FLVRVSAXBISMNM-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201113;MM201113;C#CC=CC(C#N)=CC;DTMVZWQURKJLKQ-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201114;MM201114;C#CC=CC(C=O)=CN;RTLHZJOIXDFPEK-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201115;MM201115;C#CC=CC(C#N)=CN;IMWVIQZTRYXBKP-UHFFFAOYSA-N;118.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201116;MM201116;C#CC=CC(C=O)=CF;MRZLBNZTJQTIOQ-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201117;MM201117;C#CC=CC(C#N)=CF;YRLILZXKBSIHIS-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201118;MM201118;C#CC=CC(C=C)=NN;KYAKMALPIJAOPH-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201119;MM201119;C#CC=CC(C=C)=NO;QCCGOAOWFFEZNN-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201120;MM201120;C#CC(C=CCC)=CC;KFAUVMRUOGHELS-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201121;MM201121;C#CC(C=CCN)=CC;CZKAIBMMRQQPKO-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201122;MM201122;C#CC(C=CCO)=CC;HOAMMMQRKBJGRW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201123;MM201123;C#CC(C=CCF)=CC;TVBGXFNZXJBDKI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201124;MM201124;C#CC(C=CCC)=CF;KAOMGUIUUWPGQF-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201125;MM201125;C#CC(C=CCN)=CF;FEIKJGZITHAQHL-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201126;MM201126;C#CC(C=CCO)=CF;RTDMGJSFAAOSPX-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201127;MM201127;C#CC(C=CCF)=CF;KXAJXTBVWRMPDX-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201128;MM201128;C#CC(C=COC)=CC;GUDKNHZORSOHPU-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201129;MM201129;C#CC(C=COC)=CF;SXNFLPWYXRDBPL-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201130;MM201130;C#CC(C=CCC)=NN;XRENNXVTTJOWSN-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201131;MM201131;C#CC(C=CCC)=NO;YWGKRCMOZQHIBN-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201132;MM201132;C#CC(C=NNC)=CC;BVIITQMESRFRRX-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201133;MM201133;C#CC(C=NNC)=CF;RXMMRDLVWZAWJI-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201134;MM201134;C#CC(C=NOC)=CC;MNVOVEBREZXAFB-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201135;MM201135;C#CC(C=NOC)=CF;FBKKSBAFTHSTOE-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201136;MM201136;C#CC(C=CC=C)=CC;GGBWFWPBEMKKDO-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201137;MM201137;C#CC(C=CC=O)=CC;PRBPUUMXZLBAQZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201138;MM201138;C#CC(C=CC#N)=CC;JZZWBUDRQYIQLU-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201139;MM201139;C#CC(C=CC=C)=CF;AQBHXHICIZBRSX-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201140;MM201140;C#CC(C=CC=O)=CF;CUZDYVPXOSBVMS-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201141;MM201141;C#CC(C=CC#N)=CF;GFTWYOZNQOHUCP-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201142;MM201142;C#CC(C=CC=C)=NN;WSYNHBQGIZWNEY-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201143;MM201143;C#CC(C=CC#N)=NO;MNIBMODLLZNQJJ-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201144;MM201144;C#CC(C=NN=C)=CC;OIQIVFFIOHLBFU-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201145;MM201145;C#CC(C=NN=C)=CF;IQTWKQPMBXVCRM-UHFFFAOYSA-N;124.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201146;MM201146;CNC(CO)=NOC;MGEBBRGPIQXNCD-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201147;MM201147;C#CC(C=NN=C)=NO;FSHWHOMOCVCAEZ-UHFFFAOYSA-N;123.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201148;MM201148;C#CC=CC(C#C)=CC;LEXLBOIEQURAHL-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201149;MM201149;C#CC=CC(C#C)=CF;IICDQOBCFSNCBW-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201150;MM201150;C#CC=CC(C#C)=NO;UMQYOZMQWITVMH-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201151;MM201151;CCC#CC(CC)CC;XOKBAIQQCAFFHJ-UHFFFAOYSA-N;124.23;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201152;MM201152;CCC(C#CCN)CC;GRQMZPGTBKWFSE-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201153;MM201153;CCC(C#CCO)CC;UNMIBWAZXZXGHX-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201154;MM201154;CCC(C#CCF)CC;FFNIAMLTUZSUIN-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201155;MM201155;CCC#CC(CC)CN;KLUSKIIPKZTZIC-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201156;MM201156;CCC(C#CCF)CN;RGKWVGCLZZUWKX-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201157;MM201157;CNc1n[nH]c(C)n1;RXSUYWQPZGLDMD-UHFFFAOYSA-N;112.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201158;MM201158;CCC(C#CCF)CO;ASTZUQNYZGZCHP-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201159;MM201159;CCC#CC(CC)CF;ISYZVYZTHRLZCK-UHFFFAOYSA-N;128.19;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201160;MM201160;CCC(C#CCN)CF;JTTKLDKBLNXODN-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201161;MM201161;CCC(C#CCO)CF;HNTWPBDDZWSCSO-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201162;MM201162;CCC(C#CCF)CF;GWFOOIKCDGDECS-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201163;MM201163;NCC(C#CCO)CN;JEHNHYINZXSFDJ-UHFFFAOYSA-N;128.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201164;MM201164;NCC(C#CCF)CN;KOAQOZSZUAHOAU-UHFFFAOYSA-N;130.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201165;MM201165;NCC#CC(CN)CO;KCWSEUNUIFZDQT-UHFFFAOYSA-N;128.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201166;MM201166;NCC(C#CCO)CO;SKMHTTRXALRKCF-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201167;MM201167;CCC#CC(CN)CF;GUADQGOZAOEBRE-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201168;MM201168;NCC#CC(CN)CF;MCSOKYXKMRDDSG-UHFFFAOYSA-N;130.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201169;MM201169;NCC(C#CCO)CF;JKIZXTQBONBEFH-UHFFFAOYSA-N;131.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201170;MM201170;NCC#CC(CO)CO;AKAVCTMYDPKZGN-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201171;MM201171;OCC#CC(CO)CO;INXFIBIQBCMTGG-UHFFFAOYSA-N;130.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201172;MM201172;NCC#CC(CO)CF;RQKVJTFKLOOJTG-UHFFFAOYSA-N;131.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201173;MM201173;OCC(C#CCF)CF;JGPCGBWFGRRJEA-UHFFFAOYSA-N;134.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201174;MM201174;CCC#CC(CF)CF;LLLYTOAGYHOWKO-UHFFFAOYSA-N;132.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201175;MM201175;FCC#CC(CF)CF;GCBMUPGXUBWVGI-UHFFFAOYSA-N;136.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201176;MM201176;CCC#CC(CC)NC;VPLXSTWNTSNIAT-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201177;MM201177;CCC(C#CCF)NC;IUARKQRKMYTWRH-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201178;MM201178;CNC(C#CCN)CO;AVGKTAMSQPGESE-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201179;MM201179;CNC(C#CCF)CO;SVLPLKCZLVNCQL-UHFFFAOYSA-N;131.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201180;MM201180;CNC(C#CCN)CF;XSAFGLGUYWOVCB-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201181;MM201181;CCC#CC(CC)OC;CGWMQXULLIULRH-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201182;MM201182;CCC(C#CCN)OC;PWMLSYMWSQMVEB-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201183;MM201183;CCC(C#CCO)OC;HUFIXOHPOREZLW-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201184;MM201184;CCC(C#CCF)OC;PGDLRZYCGFYKPM-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201185;MM201185;CCC#CC(CN)OC;RJXDTEDNQQCPQH-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201186;MM201186;COC(C#CCN)CN;UTFIUIXYXHTGQL-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201187;MM201187;COC(C#CCO)CN;FCVNWQPZQVZFLJ-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201188;MM201188;COC(C#CCF)CN;QJAZKVVQXDWHNS-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201189;MM201189;CCC#CC(CO)OC;DSXBACFWQFDLBE-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201190;MM201190;COC(C#CCN)CO;SKRDUDXSMLCQCM-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201191;MM201191;COC(C#CCO)CO;USESHEKVQIXYKK-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201192;MM201192;COC(C#CCF)CO;SXJWBBNUQKKGNR-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201193;MM201193;COC(C#CCN)CF;JFQRCDJAWIORTD-UHFFFAOYSA-N;131.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201194;MM201194;COC(C#CCO)CF;ZWDWJXQFHPCIPJ-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201195;MM201195;COC(C#CCF)CF;JWRUEEHVZFLOCQ-UHFFFAOYSA-N;134.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201196;MM201196;CCC#CC(OC)OC;DXQYRBTUEYSTHE-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201197;MM201197;C=CC#CC(CC)CC;RXVGCMZTMQDRSN-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201198;MM201198;CCC(C#CC=O)CC;XZYAPQCJDYFPBN-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201199;MM201199;CCC(C#CC#N)CC;SVVFJHQUBHPWMB-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201200;MM201200;C=CC#CC(CC)CN;NLYNMONRDUGBLX-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201201;MM201201;N#Cc1ccc(N)[nH]1;LWXSBBWYHZHVIM-UHFFFAOYSA-N;107.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201202;MM201202;CCC(C#CC#N)CO;SFIOODWEJBFPAL-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201203;MM201203;C=CC#CC(CC)CF;ZQQZUDZHUKBFHG-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201204;MM201204;CCC(C#CC=O)CF;ZXGNFHLYCCDCBB-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201205;MM201205;C=CC#CC(CN)CF;QRMHWDQEVOLTKI-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201206;MM201206;N#CC#CC(CO)CO;XSMXMNLVWKFYOC-UHFFFAOYSA-N;125.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201207;MM201207;C=CC#CC(CF)CF;OWLHRQSSQHLAOR-UHFFFAOYSA-N;130.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201208;MM201208;C=CC#CC(CC)NC;JQXLBBIOCPWXIE-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201209;MM201209;C=CC#CC(CN)NC;XRXXJZNWPNIKKZ-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201210;MM201210;Cn1cnc(CO)c1;NLEAEGDBKRBJAP-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201211;MM201211;C=CC#CC(CC)OC;YVOMCFUFWIQYNB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201212;MM201212;CCC(C#CC#N)OC;HOHXVELLABZGTK-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201213;MM201213;C=CC#CC(CN)OC;SUEKGBFSSNKGQE-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201214;MM201214;C=CC#CC(CF)OC;KVHLLZOCCWIGFV-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201215;MM201215;COC(C#CC#N)OC;ABTZAIRNOBOJMW-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201216;MM201216;C#CC#CC(CC)CC;LFHZKJHSKRJVLL-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201217;MM201217;C#CC#CC(CC)CN;COEBLKKBPCQICY-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201218;MM201218;C#CC#CC(CC)CO;YKDNRRAFVHRYFF-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201219;MM201219;C#CC#CC(CN)CN;DARDEXYTDREWML-UHFFFAOYSA-N;122.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201220;MM201220;C#CC#CC(CF)CF;RSQNXMRLFXNUID-UHFFFAOYSA-N;128.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201221;MM201221;C#CC#CC(CC)NC;SKAJMJLQDPCBMP-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201222;MM201222;C#CC#CC(CN)NC;JAPANRLORLUBDR-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201223;MM201223;C#CC#CC(CC)OC;MIOOARWEVGMLNV-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201224;MM201224;C#CC#CC(OC)OC;JBCCSDBXIYUSMU-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201225;MM201225;C=CC(C#CCC)CC;ZZXNKJGDHWLJJY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201226;MM201226;C=CC(C#CCN)CC;UFZBVNRVBJYTLO-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201227;MM201227;C=CC(C#CCO)CC;NZWBGTXTIBKGDY-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201228;MM201228;C=CC(C#CCF)CC;NGPVNXPBZXKVSJ-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201229;MM201229;CCC#CC(C=O)CC;BKKGWGJESYFSNX-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201230;MM201230;CCC#CC(C#N)CC;NJLZWYWBIREYLK-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201231;MM201231;CCC(C#CCO)C=O;DOZUJIREZOFRJQ-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201232;MM201232;CCC(C#N)C#CCO;NHJITDICDPAPRS-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201233;MM201233;CCC(C#CCF)C=O;AEVKGHUVSXVFHT-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201234;MM201234;CCC(C#N)C#CCF;BZUJBCVXGAKNTN-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201235;MM201235;C=CC(C#CCC)CN;KRQQFVZMZUTUCH-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201236;MM201236;C=CC(C#CCN)CN;OBXOASLMTMCEAG-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201237;MM201237;C=CC(C#CCO)CN;VBEULOVCGKWNAJ-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201238;MM201238;Nn1c(=O)ccn1O;TWUJXAVXHVHHRN-UHFFFAOYSA-N;115.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201239;MM201239;C=CC(C#CCN)CO;VJQSTRVJXCUKGD-UHFFFAOYSA-N;125.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201240;MM201240;C=CC(C#CCO)CO;GSQDFCNUCMZNRH-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201241;MM201241;C=CC(C#CCF)CO;GTIDOKSLMKVDDH-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201242;MM201242;CCC#CC(C=O)CO;BGCIGEAIGPJFAA-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201243;MM201243;CCC#CC(C#N)CO;JVPJCENXVDMOQO-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201244;MM201244;O=CC(C#CCO)CO;DPFHATDPXYPNQE-UHFFFAOYSA-N;128.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201245;MM201245;N#CC(C#CCO)CO;MHCHJLBOABUEKP-UHFFFAOYSA-N;125.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201246;MM201246;O=CC(C#CCF)CO;WXFBDFOMBMXDHJ-UHFFFAOYSA-N;130.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201247;MM201247;C=CC(C#CCC)CF;HRNMERAXLSPXAX-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201248;MM201248;C=CC(C#CCN)CF;ILTDATUQBVTULP-UHFFFAOYSA-N;127.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201249;MM201249;C=CC(C#CCO)CF;AVIMCVLWCHXJFO-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201250;MM201250;C=CC(C#CCF)CF;UVXWCZTUTUOJJE-UHFFFAOYSA-N;130.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201251;MM201251;CCC#CC(C=O)CF;QKEUHINMEAMOGJ-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201252;MM201252;CCC#CC(C#N)CF;JADBBHZQCTVIPA-UHFFFAOYSA-N;125.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201253;MM201253;O=CC(C#CCO)CF;RIIBWTZYFUQPCZ-UHFFFAOYSA-N;130.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201254;MM201254;N#CC(C#CCF)CF;HVVKLNVVWNFUIP-UHFFFAOYSA-N;129.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201255;MM201255;C=CC(C#CCC)NC;NDJISVZYSSOYNV-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201256;MM201256;C=CC(C#CCN)NC;DZHASOSOUXOHOK-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201257;MM201257;CC1(O)CNN(C=O)C1;MRDUGEAUKYKCSJ-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201258;MM201258;CC(=O)ON=C(N)CO;QOMURIJOHJTIGT-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201259;MM201259;C=CC(C#CCC)OC;NPDMYERZXRFORK-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201260;MM201260;C=CC(C#CCF)OC;AYMXDBVZCDPQTA-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201261;MM201261;CCC#CC(C=O)OC;BMMGECPYXARPDW-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201262;MM201262;CCC#CC(C#N)OC;DFVGKZMKZYKHNF-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201263;MM201263;COC(C#CCF)C=O;LNNXVNMSUHOMSE-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201264;MM201264;C=CC#CC(C=C)CC;MVSOAYOHCLOXHY-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201265;MM201265;C=CC(C#CC=O)CC;JZWGGOVRRYMVPK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201266;MM201266;C=CC(C#CC#N)CC;UJXBGTCHFUDGAS-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201267;MM201267;C=CC#CC(C=O)CC;HOLHNIYNDBNHNS-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201268;MM201268;C=CC#CC(C#N)CC;JMXJYSMNUOVLDW-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201269;MM201269;CCC(C#CC=O)C=O;HWXQMDNGGQWOLI-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201270;MM201270;CCC(C#CC#N)C=O;BIGJHCWWPKEQGJ-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201271;MM201271;CCC(C#N)C#CC#N;RVBKTKXKSHQTOA-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201272;MM201272;C=CC#CC(C=C)CN;RPEROSTVHPLDSE-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201273;MM201273;C=CC#CC(C=C)CO;UVTCPLOSCNPDNU-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201274;MM201274;C=CC#CC(C=O)CO;YHNGIHZWWKEQPF-UHFFFAOYSA-N;124.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201275;MM201275;C=CC#CC(C#N)CO;VSRZOJZMVRFBQP-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201276;MM201276;N#CC(C#CC=O)CO;HDAHXQAQBHYFNR-UHFFFAOYSA-N;123.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201277;MM201277;C=CC#CC(C=C)CF;BRBXUXFOTZBDAY-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201278;MM201278;C=CC(C#CC=O)CF;QFABRGLKVPSRHR-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201279;MM201279;C=CC(C#CC#N)CF;CWOSHJMAKMNESP-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201280;MM201280;C=CC#CC(C#N)CF;RJJYIAPTMCTMGW-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201281;MM201281;C=CC#CC(C=C)NC;OYPSQQRNVFOWKG-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201282;MM201282;CCN(N)C=NC(N)=O;KZSCDDUHWIKYRX-UHFFFAOYSA-N;130.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201283;MM201283;C=CC(C)=NOC(N)=O;LTWACAKXFNNEFV-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201284;MM201284;C=CC#CC(C=C)OC;BFUODQCMSJUPOU-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201285;MM201285;C=CC(C#CC#N)OC;WJROPVMOVLGTSX-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201286;MM201286;C=CC#CC(C=O)OC;PGCSFSUNIIKMSN-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201287;MM201287;COC(C#CC#N)C=O;CQGRENCKXAEMRD-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201288;MM201288;COC(C#N)C#CC#N;RHLYKIMWJAQBRN-UHFFFAOYSA-N;120.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201289;MM201289;C#CC#CC(C=C)CC;XGOXAGVQOUDJPX-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201290;MM201290;C#CC#CC(C=O)CC;IYUODVULAKQMRV-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201291;MM201291;C#CC#CC(C#N)CC;YVHZWYIPKHAUQG-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201292;MM201292;C#CC#CC(C=C)CN;XWPBVCSCVZBWKH-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201293;MM201293;C#CC#CC(C=C)CO;QALZRBSWZRTLLN-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201294;MM201294;C#CC#CC(C=C)CF;SGTXRLLTYYDUCE-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201295;MM201295;C#CC#CC(C=O)CF;GSXSEUFQGPCCJD-UHFFFAOYSA-N;124.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201296;MM201296;C#CC#CC(C#N)CF;JLSXJAUDKGBIOZ-UHFFFAOYSA-N;121.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201297;MM201297;C#CC#CC(C=C)OC;FUWAEISQNJNHTD-UHFFFAOYSA-N;120.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201298;MM201298;C#CC#CC(C=O)OC;HPAGJGVSOSVDSV-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201299;MM201299;C#CC(C#CCC)CC;YBDJKZAFBMHZML-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201300;MM201300;C#CC(C#CCN)CC;CWFIXOVJKTZGRT-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201301;MM201301;C#CC(C#CCO)CC;JUBQRQAOTBVDIC-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201302;MM201302;C#CC(C#CCF)CC;PYOWQDLVWKDXQM-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201303;MM201303;C#CC(C#CCC)CN;ZJKCGOXDANTUQZ-UHFFFAOYSA-N;121.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201304;MM201304;C#CC(C#CCN)CN;FRHLEUBOALBEPO-UHFFFAOYSA-N;122.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201305;MM201305;C#CC(C#CCO)CN;VVPFXQHWMBGLBP-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201306;MM201306;C#CC(C#CCC)CO;WRBASWODYBCOBF-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201307;MM201307;C#CC(C#CCN)CO;CFDRYXYMTWAXAF-UHFFFAOYSA-N;123.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201308;MM201308;C#CC(C#CCO)CO;XQUNUXAZHZDQSB-UHFFFAOYSA-N;124.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201309;MM201309;C#CC(C#CCC)CF;OPHBEJMWONVMAK-UHFFFAOYSA-N;124.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201310;MM201310;C#CC(C#CCF)CF;FHDCSYDKBGEMGE-UHFFFAOYSA-N;128.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201311;MM201311;C#CC(C#CCN)NC;YTWHLZIDVNSUOX-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201312;MM201312;C#CC(C#CCC)OC;SYKRCPNZEVINKI-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201313;MM201313;C#CC(C#CCF)OC;AFJPGYBSSPMIGM-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201314;MM201314;C#CC(C#CC=C)CC;ZJJCBGYSVYILAM-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201315;MM201315;C#CC(C#CC=O)CC;FBULSTDLGGQKMH-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201316;MM201316;C#CC(C#CC#N)CC;KTBVEDJPNYBDGM-UHFFFAOYSA-N;117.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201317;MM201317;C#CC(C#CC=C)CN;QABJYNFDMPZERZ-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201318;MM201318;C#CC(C#CC=C)CO;RVYIRLSNRSNBBU-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201319;MM201319;C#CC(C#CC=C)CF;KREXZTSCLRDJBJ-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201320;MM201320;C#CC(C#CC#N)CF;FLKGWLHSOYKRAC-UHFFFAOYSA-N;121.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201321;MM201321;C#CC(C#CC=C)OC;SBQZPWPKLYIRFS-UHFFFAOYSA-N;120.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201322;MM201322;C#CC(C#CC#N)OC;ZVIUPKZAVWNYMC-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201323;MM201323;C#CC#CC(C#C)CC;NKEOHGKQZNPPJH-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201324;MM201324;C#CC#CC(C#C)CO;LNHOTYLSGKCZRA-UHFFFAOYSA-N;118.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201325;MM201325;C#CC#CC(C#C)CF;QWPPLFAMBIWIEU-UHFFFAOYSA-N;120.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201326;MM201326;C#CC#CC(C#C)OC;LDPWQEDABHKUJT-UHFFFAOYSA-N;118.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201327;MM201327;C=CC(C#CCC)C=C;DFCBAHQGIQWKBR-UHFFFAOYSA-N;120.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201328;MM201328;C=CC(C#CCN)C=C;DDRNYMBJBYZTQL-UHFFFAOYSA-N;121.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201329;MM201329;C=CC(C#CCO)C=C;KMAMQQHYMKUCLR-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201330;MM201330;C=CC(C#CCF)C=C;ADLVJKYDMJMHMQ-UHFFFAOYSA-N;124.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201331;MM201331;C=CC(C#CCC)C=O;MMEKHSGFWOUQQK-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201332;MM201332;C=CC(C#N)C#CCC;WEBCIFNVPNQXFQ-UHFFFAOYSA-N;119.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201333;MM201333;C=CC(C#N)C#CCO;SIGDNVDHXLMWRW-UHFFFAOYSA-N;121.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201334;MM201334;C=CC(C#CCF)C=O;NHGKKSDYBWXVAS-UHFFFAOYSA-N;126.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201335;MM201335;C=CC(C#N)C#CCF;VVUHKGUQBBKPHF-UHFFFAOYSA-N;123.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201336;MM201336;CCC#CC(C=O)C=O;JHVWTVNOFBDMSZ-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201337;MM201337;CCC#CC(C#N)C=O;MLURHAHRPRZKEF-UHFFFAOYSA-N;121.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201338;MM201338;CCC#CC(C#N)C#N;SWOFWGAGCPXNQY-UHFFFAOYSA-N;118.14;1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201339;MM201339;N#CC(C#CCO)C=O;FNSYHYCSKLSBJT-UHFFFAOYSA-N;123.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201340;MM201340;C=CC#CC(C=C)C=C;KESAMRASLGSSBR-UHFFFAOYSA-N;118.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201341;MM201341;C=CC(C#CC=O)C=C;ZDDTXUNWKULPFE-UHFFFAOYSA-N;120.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201342;MM201342;C=CC(C#CC#N)C=C;PSCUBVMBWDRGCB-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201343;MM201343;C=CC#CC(C=C)C=O;VBQWKIRJQJSHLI-UHFFFAOYSA-N;120.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201344;MM201344;C=CC#CC(C#N)C=C;DEVGVAFQFAPZOE-UHFFFAOYSA-N;117.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201345;MM201345;C=CC(C#N)C#CC=O;CTZWFESJEHOJRT-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201346;MM201346;C=CC#CC(C=O)C=O;QXTLIWQNDOQWGY-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201347;MM201347;C=CC#CC(C#N)C=O;IJEDVEILJPUHJO-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201348;MM201348;CC#Cc1onc(O)c1C;IVPPRAHWOCGREI-UHFFFAOYSA-N;137.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201349;MM201349;N#CC#CC(C#N)C#N;BAXQVACHCXJBIL-UHFFFAOYSA-N;115.1;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P2";;;;;;;0.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201350;MM201350;C#CC#CC(C=C)C=C;RZVYOIWGTVFJRI-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201351;MM201351;C#CC#CC(C=C)C=O;HJBXXHBWCAUDOU-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201352;MM201352;C#CC#CC(C#N)C=C;KBSVVDNELKLNCH-UHFFFAOYSA-N;115.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201353;MM201353;C#CC#CC(C#N)C=O;RQXZQBWMZZSJPW-UHFFFAOYSA-N;117.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201354;MM201354;C#CC(C#CCC)C=C;HVJSSLXVXFFOJJ-UHFFFAOYSA-N;118.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201355;MM201355;C#CC(C#CCN)C=C;JRPJLTFRRCVIPW-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201356;MM201356;C#CC(C#CCO)C=C;XNFGZPNUZYMSMI-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201357;MM201357;C#CC(C#CCF)C=C;MPZPSPKVGOQHBR-UHFFFAOYSA-N;122.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201358;MM201358;C#CC(C#CCC)C=O;MNDBYPRUVFIJAP-UHFFFAOYSA-N;120.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201359;MM201359;C#CC(C#CCF)C=O;LCFRKDIPDGZTOM-UHFFFAOYSA-N;124.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201360;MM201360;C#CC(C#CC=C)C=C;YGDXFCUGPGRWCZ-UHFFFAOYSA-N;116.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201361;MM201361;C#CC(C#CC=O)C=C;RMSTYQHBFPFZKS-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201362;MM201362;C#CC(C#CC=C)C=O;CVFDSAFMFPLLMO-UHFFFAOYSA-N;118.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201363;MM201363;C#CC(C#CC#N)C=O;ZCTPJXALUAOCTK-UHFFFAOYSA-N;117.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201364;MM201364;C#CC#CC(C#C)C=C;QCECYQUGACOCLH-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201365;MM201365;C#CC#CC(C#C)C=O;KZWSGDQOLQMSFI-UHFFFAOYSA-N;116.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201366;MM201366;C#CC(C#C)C#CCC;BBCHLBJKMHIIFV-UHFFFAOYSA-N;116.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201367;MM201367;C#CC(C#C)C#CCO;DJDKAGPIALPHHB-UHFFFAOYSA-N;118.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201368;MM201368;C#CC(C#C)C#CCF;FHKIWZJGBDTAHH-UHFFFAOYSA-N;120.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201369;MM201369;C#CC(C#C)C#CC=C;POMCZOKWCSRLTB-UHFFFAOYSA-N;114.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201370;MM201370;C#CC(C#C)C#CC=O;NTAZJCRRZBRKLU-UHFFFAOYSA-N;116.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201371;MM201371;C#CC(C#C)C#CC#N;PTCMNAPEGYQTLD-UHFFFAOYSA-N;113.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201372;MM201372;C#CC#CC(C#C)C#C;WATOXGCWYXTCHR-UHFFFAOYSA-N;112.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201373;MM201373;CC=C(C#CCC)CC;OVYYOHDICJTODZ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201374;MM201374;CC=C(C#CCN)CC;OUFFEFLAHRRYQG-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201375;MM201375;CC=C(C#CCO)CC;LZTQHNSNOCZJBJ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201376;MM201376;CC=C(C#CCF)CC;FAASBZSLRKIMPR-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201377;MM201377;CCC#CC(=CF)CC;PIFVWDZKQLWNHN-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201378;MM201378;CCC(C#CCF)=CF;YJHNMTZEVIQQJB-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201379;MM201379;CC=C(C#CCC)CN;OKIWKHRPAWXXAS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201380;MM201380;CC=C(C#CCF)CN;ZPQHFLWPUUHBAK-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201381;MM201381;CCC#CC(=CF)CN;KUFRRGIPDVWEGM-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201382;MM201382;NCC(C#CCO)=CF;YFARLCRXONKLGP-UHFFFAOYSA-N;129.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201383;MM201383;CC=C(C#CCC)CO;UGBFMSLLMDSMKO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201384;MM201384;CC=C(C#CCO)CO;LIQPRMZZSOMFLB-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201385;MM201385;CC=C(C#CCF)CO;ZXYJKAGQXDRUGF-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201386;MM201386;OCC#CC(=CF)CO;DLTCDADDDBKVJJ-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201387;MM201387;CC=C(C#CCC)CF;VGXBQXRPZBYMOD-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201388;MM201388;CC=C(C#CCN)CF;UDWGWJJEXAKWHS-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201389;MM201389;CC=C(C#CCO)CF;BNWMJLBFDAHIMS-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201390;MM201390;CC=C(C#CCF)CF;SKDXGBAJAMQUSR-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201391;MM201391;CCC#CC(=CF)CF;IOVGLBCBBXEFAA-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201392;MM201392;NCC#CC(=CF)CF;SVDXOJJKQGUBAB-UHFFFAOYSA-N;131.13;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201393;MM201393;OCC#CC(=CF)CF;GLFPENBCAHQQIO-UHFFFAOYSA-N;132.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201394;MM201394;FC=C(C#CCF)CF;HCFABIFBYXTKKW-UHFFFAOYSA-N;134.1;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201395;MM201395;CCC#CC(CC)=NN;UYOWTLAVIFOAJH-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201396;MM201396;NC(CO)=NOCC=O;BEPRYCSMGGRJRO-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201397;MM201397;CCC(C#CCF)=NN;UNMKSDJQQLDLKO-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201398;MM201398;CCC#CC(CC)=NO;GADUVHZMLUNBDF-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201399;MM201399;CCC(C#CCO)=NO;UPTUATVJZFMBJR-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201400;MM201400;CCC(C#CCF)=NO;KGKQFFWMRVSWAO-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201401;MM201401;N=C(CO)NN=CNO;DRGPHILGSPLZJM-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201402;MM201402;CCC#CC(CF)=NN;BAONBCICMBPPFX-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201403;MM201403;CCC#CC(=NC)NC;ACPXFQXXKSRBCP-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201404;MM201404;CNN=C(C)C(F)CO;HMEAIYQFTOLEHR-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201405;MM201405;Cc1cn(O)n(N)c1=O;BWZFZEYGUHMNOK-UHFFFAOYSA-N;129.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201406;MM201406;OCC#CC(=NO)NO;WJKVCEUKYYTVDR-UHFFFAOYSA-N;130.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201407;MM201407;CC=C(C#CCC)OC;KWKWJLGEUITOPK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201408;MM201408;CC=C(C#CCN)OC;WMQNLFUIFFLOMZ-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201409;MM201409;CC=C(C#CCO)OC;YKBBDFOBZBWSMK-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201410;MM201410;CC=C(C#CCF)OC;CJIVSWCFOLLLLD-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201411;MM201411;CCC#CC(=CF)OC;LRDPCZFWOYFUMG-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201412;MM201412;COC(C#CCF)=CF;SZVFFJQFGURRSL-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201413;MM201413;Nn1onc(CO)c1=O;GCDFFOIIZFZJFI-UHFFFAOYSA-N;131.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201414;MM201414;Cc1[nH]nc(NO)c1C;VNRZVBRBEBJPBU-UHFFFAOYSA-N;127.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201415;MM201415;CCC#CC(=NO)OC;BUEAYKRCOGCPRK-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201416;MM201416;C=CC#CC(=CC)CC;GCMCSSRBWSBHPE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201417;MM201417;CC=C(C#CC=O)CC;YWOFFCXQOZQXTP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201418;MM201418;CC=C(C#CC#N)CC;KXZXPBJTHWPTPR-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201419;MM201419;C=CC#CC(=CF)CC;KSSKEBBYVPLILR-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201420;MM201420;CCC(C#CC=O)=CF;SHUGIDYWQYOURW-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201421;MM201421;CCC(C#CC#N)=CF;HEPLAFXVSQFFGI-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201422;MM201422;C=CC#CC(=CC)CN;IHEXRWNNPZCUAG-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201423;MM201423;C=CC#CC(=CC)CO;ROSNCTHCAUVCFP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201424;MM201424;CC=C(C#CC=O)CO;ITRQBUHBUWLZRO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201425;MM201425;C=CC#CC(=CC)CF;ZZSZSANJDQEQKB-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201426;MM201426;CC=C(C#CC=O)CF;WWUNSEQPONVVAU-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201427;MM201427;CC=C(C#CC#N)CF;PQRHNGQRNIFVEW-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201428;MM201428;C=CC#CC(=CF)CF;GPAJPMPKBNTWJH-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201429;MM201429;O=CC#CC(=CF)CF;XUCVPTVAZVEGOT-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201430;MM201430;N#CC#CC(=CF)CF;LVERMMHIEBIEJO-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201431;MM201431;C=CC#CC(CC)=NN;QRJCIDALEYCLGZ-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201432;MM201432;C=CC#CC(CC)=NO;JPGAUPMWLDZFJR-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201433;MM201433;ON=c1ncnc(O)n1O;PEEBOQNPVZCLIY-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201434;MM201434;Cn1nc(F)cc1O;MISZOPMABDSCQJ-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201435;MM201435;C=CC#CC(=CC)OC;UKIPYKHYRGSKNH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201436;MM201436;CC=C(C#CC=O)OC;RMOQLUWVOZOYRZ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201437;MM201437;CC=C(C#CC#N)OC;YSTAXMJHNSVBBD-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201438;MM201438;C=CC#CC(=CF)OC;TUWOZZQXKKNNMJ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201439;MM201439;COC(C#CC=O)=CF;JCLVECHMQZPARQ-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201440;MM201440;COC(C#CC#N)=CF;QRZWOIYDAWBZOQ-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201441;MM201441;C#CC#CC(=CC)CC;OLFNQLMAIZICQY-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201442;MM201442;C#CC#CC(=CF)CC;WWIBUQXDJULXBX-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201443;MM201443;C#CC#CC(=CC)CN;DFDJZJQQKUYECN-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201444;MM201444;C#CC#CC(=CC)CO;XUOMHNKELYDRBA-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201445;MM201445;C#CC#CC(=CF)CO;NFDRJISTQWEJIJ-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201446;MM201446;C#CC#CC(=CC)CF;DOOZMQJYFSNKIS-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201447;MM201447;C#CC#CC(=CF)CF;TXKIPIAQIBZEKI-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201448;MM201448;C#CC#CC(CC)=NN;CTCINGZCMHDFAM-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201449;MM201449;C#CC#CC(CC)=NO;REVOZVYENZWXNF-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201450;MM201450;C#CC#CC(CF)=NN;MEKHWOOJAYULJB-UHFFFAOYSA-N;124.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201451;MM201451;ON=CC(O)(CF)C(F)F;NUZKJLOYPLSVKF-UHFFFAOYSA-N;157.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201452;MM201452;C#CC#CC(=CC)OC;FYQCBRCZFMILBK-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201453;MM201453;C#CC#CC(=CF)OC;UPHXCYJHCNFJFY-UHFFFAOYSA-N;124.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201454;MM201454;C#Cc1n[nH]c(F)c1N;AUCHTOXQOUIYDG-UHFFFAOYSA-N;125.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201455;MM201455;C=CC(C#CCC)=CC;YGNBWGJRRKDQAU-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201456;MM201456;C=CC(C#CCN)=CC;LOEAEDYUVLKEOF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201457;MM201457;C=CC(C#CCO)=CC;XNIVOOSTEIVPPP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201458;MM201458;C=CC(C#CCF)=CC;UZFKLNBTEHIFPI-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201459;MM201459;C=CC(C#CCC)=CF;SCYYIAIWCGPPNC-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201460;MM201460;C=CC(C#CCO)=CF;OKWZTBAZMXXRMK-UHFFFAOYSA-N;126.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201461;MM201461;C=CC(C#CCF)=CF;KRRDWXRCXJVGKK-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201462;MM201462;CC=C(C#CCC)C=O;POBRLOQJQZFXLM-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201463;MM201463;CC=C(C#N)C#CCC;PEPWYTWCSGRAJG-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201464;MM201464;CC=C(C#N)C#CCO;COWBUUIYFPFZEA-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201465;MM201465;CC=C(C#CCF)C=O;DVJGEBIOBLFSIB-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201466;MM201466;CC=C(C#N)C#CCF;YYEKHMKXRXUOIT-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201467;MM201467;CCC#CC(C=O)=CN;OVWCFGDDQQVAML-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201468;MM201468;CCC#CC(C#N)=CN;DQHIEDGEWOUTMJ-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201469;MM201469;NC=C(C#CCO)C=O;LGIJQHIAMYUZJC-UHFFFAOYSA-N;125.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201470;MM201470;CCC#CC(C=O)=CF;LBWPITXQAWZJAQ-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201471;MM201471;CCC#CC(C#N)=CF;SOSHFAJNYPKZGA-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201472;MM201472;O=CC(C#CCF)=CF;NWIDROPNICKBCQ-UHFFFAOYSA-N;130.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201473;MM201473;N#CC(C#CCF)=CF;OQXFFBSVIBCQMO-UHFFFAOYSA-N;127.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201474;MM201474;C=CC(C#CCC)=NN;NGOCGUIXWNGCSS-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201475;MM201475;C=CC(C#CCF)=NN;FDUIQWXMMSUWGM-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201476;MM201476;C=CC(C#CCC)=NO;NKLAPUOPTQCGQJ-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201477;MM201477;C=CC(C#CCO)=NO;IRVJWUZICPVDRI-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201478;MM201478;C=CC(C#CCF)=NO;RLPJBIQIYKKHMF-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201479;MM201479;C#CC(CO)C(CF)=NO;FJBFLQXNXOREML-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201480;MM201480;C=CC#CC(C=C)=CC;PNJHJNCWWLRHPZ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201481;MM201481;C=CC(C#CC=O)=CC;LPCHJCMFTQUJMT-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201482;MM201482;C=CC#CC(C=C)=CF;ZCZINTHPUHOQOR-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201483;MM201483;C=CC(C#CC=O)=CF;GZUAOORIAFSLQP-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201484;MM201484;C=CC#CC(C=O)=CC;RXVMSFLVYWBJOV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201485;MM201485;C=CC#CC(C#N)=CC;UBUXLSVQJUFJRL-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201486;MM201486;CC=C(C#CC#N)C=O;HMPAVUSMDUONLN-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201487;MM201487;C=CC#CC(C=O)=CN;CICJTSQGCYBEFK-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201488;MM201488;C=CC#CC(C=O)=CF;RWRPWLZDJWADCV-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201489;MM201489;C=CC#CC(C#N)=CF;OANGYRSRSUGZDR-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201490;MM201490;O=CC#CC(C=O)=CF;VKNYMCAJGBEZKH-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201491;MM201491;N#CC(C#CC=O)=CF;VFFZADAUBVAEER-UHFFFAOYSA-N;123.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201492;MM201492;N#CC#CC(C#N)=CF;YTDYVOKRXITFEU-UHFFFAOYSA-N;120.09;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201493;MM201493;C=CC#CC(C=C)=NN;JXMQCRRJWNOSFD-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201494;MM201494;C=CC#CC(C=C)=NO;ZUAUAGPJFAWWTI-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201495;MM201495;CN=c1oc(O)c(F)n1O;ZKZAXCJNTSMYOC-UHFFFAOYSA-N;148.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201496;MM201496;N=c1nc(O)[nH]nc1NO;KSLXSBKWUQTTQE-UHFFFAOYSA-N;143.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201497;MM201497;C#CC#CC(C=C)=CC;LTGVFEFPNPVHJW-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201498;MM201498;C#CC#CC(C=C)=CF;MOVMYGWFGRUTBA-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201499;MM201499;C#CC#CC(C=O)=CC;DOYZNRPOJJYWQX-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201500;MM201500;C#CC#CC(C#N)=CC;ZRMCZWXKBKPTQS-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201501;MM201501;C#CC#CC(C#N)=CN;GUOJHWOHIGCBAI-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201502;MM201502;C#CC#CC(C=O)=CF;LPUQZFQDHSYNGU-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201503;MM201503;C#CC#CC(C#N)=CF;UEHDCOQYSBVVMM-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201504;MM201504;C#CC#CC(C=C)=NN;LTNDPQBZPXXPRP-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201505;MM201505;C#CC#CC(C=C)=NO;ALFCIFRKXDZRAU-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201506;MM201506;CN=c1[nH]n(O)c(=O)n1N;HHMCTFWLYAURRX-UHFFFAOYSA-N;145.12;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201507;MM201507;C#CC(C#CCC)=CC;MREJBNYKWVHMGF-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201508;MM201508;C#CC(C#CCN)=CC;GPQYZZRWGXHXDB-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201509;MM201509;C#CC(C#CCO)=CC;FVEIBQYSQFZELM-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201510;MM201510;C#CC(C#CCF)=CC;CGINEANRQCCLBJ-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201511;MM201511;C#CC(C#CCC)=CF;DVNGIMZAAYUYBN-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201512;MM201512;C#CC(C#CCN)=CF;JQQOIJYAROJZEE-UHFFFAOYSA-N;123.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201513;MM201513;C#CC(C#CCO)=CF;WNJAOFRNJJCKBJ-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201514;MM201514;C#CC(C#CCF)=CF;PBIWAINDOWRKQB-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201515;MM201515;C#CC(C#CCC)=NN;UCNLWEFAQYUHMP-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201516;MM201516;C#CC(C#CCC)=NO;JRUMCYUDLMKDDJ-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201517;MM201517;C#CC(C#CC=C)=CC;DSWXBZDUWWKTDX-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201518;MM201518;C#CC(C#CC=O)=CC;GLFJQWRRRDQYSE-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201519;MM201519;C#CC(C#CC#N)=CC;QUQALDQPPKKEOA-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201520;MM201520;C#CC(C#CC=C)=CF;DPQSYJKEHBZWPV-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201521;MM201521;C#CC(C#CC=O)=CF;MMAMHYHWRCLBIA-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201522;MM201522;C#CC(C#CC#N)=CF;NJYUGCMSOQDLBK-UHFFFAOYSA-N;119.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201523;MM201523;C#CC#CC(C#C)=CC;KUKIRFCCZMHKQJ-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201524;MM201524;C#CC#CC(C#C)=CF;BDPBBVQOWYQACS-UHFFFAOYSA-N;118.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201525;MM201525;CCCC=C(CC)CC;VUFGUGXXEWJSBM-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201526;MM201526;CCC(=CCCN)CC;PPBXXISNSCAYDH-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201527;MM201527;CCC(=CCCO)CC;SRHGPYANOOQJEO-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201528;MM201528;CCC(=CCCF)CC;MRGGYAGRCQBRMY-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201529;MM201529;CCCC=C(CC)CN;RJDZJLHFJHJEHI-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201530;MM201530;CCC(=CCCF)CN;AKTIXZNILNJRGF-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201531;MM201531;CCON=C(CO)NC;AYFMMSMCTLKUOM-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201532;MM201532;CCC(=CCCN)CO;UHONDPZOUFPQBZ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201533;MM201533;CCC(=CCCO)CO;VAYYHWFGAMJWFW-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201534;MM201534;CCn1cnc(CO)c1;CWOZLRPNGIXFRB-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201535;MM201535;CCCC=C(CC)CF;BYQBTYHHFTWHCF-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201536;MM201536;CCC(=CCCN)CF;ZBTPXILXHILDDE-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201537;MM201537;CCC(=CCCO)CF;ILDGNIRKPQCHEO-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201538;MM201538;CCC(=CCCF)CF;SCEFQTGEPWCLBP-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201539;MM201539;NCC(=CCCO)CN;VONQDWFHFIUIAW-UHFFFAOYSA-N;130.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201540;MM201540;CCCC=C(CN)CO;BMBXGJSITNHFGD-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201541;MM201541;NCC(=CCCF)CO;IYGUSBWEHZIRJX-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201542;MM201542;CCCC=C(CN)CF;FYGGPYHVBYXQBD-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201543;MM201543;NCCC=C(CN)CF;HGQQWKIOWMQBML-UHFFFAOYSA-N;132.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201544;MM201544;NCC(=CCCO)CF;LSKOSBVTYBRFOL-UHFFFAOYSA-N;133.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201545;MM201545;NCCC=C(CO)CO;QLZCQRVIYTVPAL-UHFFFAOYSA-N;131.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201546;MM201546;OCCC=C(CO)CO;YARBCPHSRYSYCC-UHFFFAOYSA-N;132.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201547;MM201547;CCCC=C(CO)CF;NTRSXRQGNKTKMR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201548;MM201548;OCCC=C(CF)CF;DFIJXSCTGAZKMN-UHFFFAOYSA-N;136.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201549;MM201549;FCCC=C(CF)CF;FLPFKAMGCJPBBJ-UHFFFAOYSA-N;138.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201550;MM201550;CCC(=CCNC)CC;MGECJQOQXXMNEK-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201551;MM201551;CCC(=CCNC)CF;HLTFCKGIWKQESU-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201552;MM201552;CNCC=C(CN)CN;SUDOAMIPQRFJAD-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201553;MM201553;CNCC=C(CN)CF;WSSCNPUTNXMNSK-UHFFFAOYSA-N;132.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201554;MM201554;CNCC=C(CO)CO;VVLPCQBSVPNFJT-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201555;MM201555;CNCC=C(CF)CF;RHWXSNWMHPRLLI-UHFFFAOYSA-N;135.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201556;MM201556;CCC(=CCOC)CC;DTKVIWBUCMPOQP-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201557;MM201557;CCC(=CCOC)CO;KZDASCIBAMMCNC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201558;MM201558;COCC=C(CN)CN;VPRVHKZMEQOSGH-UHFFFAOYSA-N;130.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201559;MM201559;COCC=C(CF)CF;MQQYKTKBEYDUTG-UHFFFAOYSA-N;136.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201560;MM201560;CCCC=C(CC)OC;IDPJSACNOJRDCC-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201561;MM201561;CCC(=CCCN)OC;IQRDTFDTLCEBNL-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201562;MM201562;CCC(=CCCO)OC;ZIZRMTSUYPXPHZ-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201563;MM201563;CCC(=CCCF)OC;JZKLTZNLRJEWRT-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201564;MM201564;CCCC=C(CN)OC;SXNMYIVIEAFGLY-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201565;MM201565;COC(=CCCN)CO;MFHVVBOPVKKCQP-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201566;MM201566;COC(=CCCO)CO;NDDMTERMAZOVPC-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201567;MM201567;CCCC=C(CF)OC;FPHLWSHTWIRVPU-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201568;MM201568;CCC(=CCNC)OC;MZQOFEOLEFWKDE-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201569;MM201569;CNCC=C(CN)OC;OLTPFNXDQSLDGZ-UHFFFAOYSA-N;130.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201570;MM201570;CNCC=C(CO)OC;XGHKEHBCKAYWBQ-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201571;MM201571;CCC(=CCOC)OC;HVKDSJILRUZKFX-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201572;MM201572;COCC=C(CN)OC;XVDRLAHTIYODDM-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201573;MM201573;COCC=C(CF)OC;GRHPMDZXFZCPRE-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201574;MM201574;CCOC=C(CC)CC;YJLBVUBIBTZSPZ-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201575;MM201575;CCOC=C(CC)CN;KQLIYAPZXQKYQB-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201576;MM201576;CCOC=C(CC)CO;UJDZCSFHGRPVAK-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201577;MM201577;CCOC=C(CC)CF;ZJZXUYYECZEWNJ-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201578;MM201578;CCOC=C(CF)CF;FHPXMZFTOBYLDD-UHFFFAOYSA-N;136.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201579;MM201579;CCOC=C(CC)OC;GIZWVJLXYXFVKJ-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201580;MM201580;CCOC=C(CF)OC;GPEHDQGRYGXDPP-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201581;MM201581;CNC(=NCCN)NC;RWHWTVCOLNSXFA-UHFFFAOYSA-N;130.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201582;MM201582;CNC(=NCCN)NO;LLGJYANXMBLQAU-UHFFFAOYSA-N;132.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201583;MM201583;NNC(=NCCO)NN;IBMYMYOQZZFVPV-UHFFFAOYSA-N;133.16;-2.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201584;MM201584;NNC(=NCCF)NN;GQSBKFRBHPKYLO-UHFFFAOYSA-N;135.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201585;MM201585;NNC(=NCCO)NO;HTSCCIFEIMJUGW-UHFFFAOYSA-N;134.14;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201586;MM201586;NNC(=NCCF)NO;YZGRWVFYSQPIND-UHFFFAOYSA-N;136.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201587;MM201587;NCCN=C(NO)NO;BULMLIHIMMMCIC-UHFFFAOYSA-N;134.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201588;MM201588;CCCN=C(NC)OC;UDQNZEYEFZXASL-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201589;MM201589;OCC(F)C1NC1CO;RDKNIHMEMBBGRJ-UHFFFAOYSA-N;135.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201590;MM201590;CCNN=C(CC)CC;YJJCBQKFWTYGRJ-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201591;MM201591;CCNN=C(NC)NN;KTEIZAOABORRCI-UHFFFAOYSA-N;131.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201592;MM201592;CCNN=C(NC)NO;SNIFBGZDHSUWIY-UHFFFAOYSA-N;132.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201593;MM201593;CCON=C(CC)CC;RUYPGOZSIJJTJA-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201594;MM201594;CCON=C(CN)CO;LKFHJCUEVVUJLT-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201595;MM201595;OCC#CC(F)C1CN1;NPSMNXZEYBMECJ-UHFFFAOYSA-N;129.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201596;MM201596;CCON=C(CC)OC;VEOBSWDDZQYDAZ-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201597;MM201597;CCON=C(OC)OC;CLECOAJRKOAYAF-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201598;MM201598;C=CCC=C(CC)CC;HKGNYFHXJIMWJR-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201599;MM201599;CCC(=CCC=O)CC;QNPRRUZXYADMQK-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201600;MM201600;CCC(=CCC#N)CC;WWKWFFZGGNAEHR-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201601;MM201601;C=CCC=C(CC)CN;WZEDLPDGTZUUMQ-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201602;MM201602;C=NOC(C)CC(O)CO;IZPYHVPMDKIULL-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201603;MM201603;CCC(=CCC#N)CO;QFNGAJOXERCUHN-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201604;MM201604;C=CCC=C(CC)CF;FFASDBMBEMKPLE-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201605;MM201605;CCC(=CCC=O)CF;SEEXROYZQQMCJP-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201606;MM201606;CCC(=CCC#N)CF;UJPYWICXMCEXMS-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201607;MM201607;C=CCC=C(CN)CO;ABWZGGDCPYZSAO-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201608;MM201608;N#CCC=C(CF)CF;RWECKPVSMPQYQI-UHFFFAOYSA-N;131.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201609;MM201609;CCC(=CCC=O)OC;ZXDLIIHSFBVYSN-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201610;MM201610;CCC(=CCC#N)OC;ZFOZKOKLCKIIMT-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201611;MM201611;COC(=CCC#N)CF;LFLINYDYWQIMQA-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201612;MM201612;CCC(=CNC=N)CC;SOZXWYQJDAOTRJ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201613;MM201613;CCC(=CNC=O)CC;NEOWMZQKIRZWIS-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201614;MM201614;CCC(=CNC=O)CN;GEFOQYJINPJZLY-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201615;MM201615;CCC(=CNC=N)CO;CEPITJFYNZHXOQ-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201616;MM201616;CCC(=CNC=O)CO;JNAYEYVZPFXNEV-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201617;MM201617;CCC(=CNC=N)CF;JSMBFNUORHCLLX-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201618;MM201618;CCC(=CNC=O)CF;FBFBRFCQCMVIBK-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201619;MM201619;N=CNC=C(CN)CN;HJFKHPKBEMQMGU-UHFFFAOYSA-N;128.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201620;MM201620;NCC(=CNC=O)CN;LQFNBKBVFUTQIO-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201621;MM201621;N=CNC=C(CN)CO;OYHWBIIAOPGDSP-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201622;MM201622;NCC(=CNC=O)CO;YDHGXDQXFFKLLO-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201623;MM201623;NCC(=CNC=O)CF;ZZXLLBCEQKGFHJ-UHFFFAOYSA-N;132.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201624;MM201624;N=CNC=C(CO)CO;OSPKGGYMDCNJOR-UHFFFAOYSA-N;130.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201625;MM201625;O=CNC=C(CO)CO;OHCHXKUZXHUVGI-UHFFFAOYSA-N;131.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201626;MM201626;N=CNC=C(CO)CF;PDIINFUKDRCTDI-UHFFFAOYSA-N;132.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201627;MM201627;O=CNC=C(CO)CF;IQDPIDIJBLTZBV-UHFFFAOYSA-N;133.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201628;MM201628;CCC(=CNC=N)OC;SXVUDHGYMXXWOY-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201629;MM201629;COC(=CNC=N)CN;CXXDOYNGWYHXSY-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201630;MM201630;COC(=CNC=O)CN;LMIKSWIKJCEYOZ-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201631;MM201631;COC(=CNC=N)CO;MRUIZCTWACHRMC-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201632;MM201632;COC(=CNC=O)CO;OPSLDDWKDDFDGN-UHFFFAOYSA-N;131.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201633;MM201633;COC(=CNC=N)CF;BPPZMJIJNCYACT-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201634;MM201634;COC(=CNC=O)CF;XVZJKTVTALVNQA-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201635;MM201635;C=COC=C(CC)CC;LNBYZRRLRQMNEK-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201636;MM201636;CCC(=COC=O)CC;MLEJHHJUWSUUFA-UHFFFAOYSA-N;128.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201637;MM201637;C=COC=C(CC)CN;CADDYLLOJGVFMJ-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201638;MM201638;CCC(=COC=O)CO;AYLIKIONSRTZOE-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201639;MM201639;C=COC=C(CC)CF;DYJXGWSBZOLKTN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201640;MM201640;CCC(=COC=O)CF;JDYJJQNPUDVNLB-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201641;MM201641;NCC(=COC=O)CN;DLDHDWDKFUIFSF-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201642;MM201642;NCC(=COC=O)CO;FPGAORNFLIRGAP-UHFFFAOYSA-N;131.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201643;MM201643;NCC(=COC=O)CF;HDXPHVXWXSVQEL-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201644;MM201644;O=COC=C(CO)CO;UNVHNZIEXJYPHN-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201645;MM201645;O=COC=C(CF)CF;KETPNPRFFKOFJL-UHFFFAOYSA-N;136.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201646;MM201646;C=COC=C(CC)OC;PFVWTQKSLXSWDO-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201647;MM201647;CCC(=COC=O)OC;KANZIZKGVCSHBY-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201648;MM201648;C=COC=C(CF)OC;IIBGZDPAEBKYGF-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201649;MM201649;CNC(=NCC=O)NO;GAHSLPQPFPHWKK-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201650;MM201650;C=CCN=C(NN)NN;XMZQXAJNWWTFOD-UHFFFAOYSA-N;129.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201651;MM201651;COC(=N)N(O)CC(C)O;JDEILHOJDJUFOH-UHFFFAOYSA-N;148.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201652;MM201652;CCC(CC)=NNC=O;OOLWPTKYPVGPEV-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201653;MM201653;CCC(CN)=NNC=O;VUIASLFFCNAQMV-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201654;MM201654;COC(CO)=NNC=O;VKIWZJROFNPNFQ-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201655;MM201655;C=C1CC(C=NN)=CC1O;XYBPMTLZMWOAML-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201656;MM201656;CNC(=NNC=N)NC;SWAXMLGCCDBDNF-UHFFFAOYSA-N;129.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201657;MM201657;Cc1nc(F)cn(O)c1=N;NANFPXFBSADVTE-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201658;MM201658;C=CC(=O)ON=C(N)CO;YCBZJBVNXLHELE-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201659;MM201659;O=CNN=C(NO)NO;UUWFWFMEYCVRGL-UHFFFAOYSA-N;134.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201660;MM201660;CNC(=NNC=O)OC;IVHKGAXJPLVJED-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201661;MM201661;N#CC(=O)ON=C(N)CO;RPIKMZSGZUEEHJ-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201662;MM201662;COC(=NNC=O)NO;ITSFEGPLPKULPN-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201663;MM201663;CCC(CC)=NOC=O;NMKHRFCZAYIDTO-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201664;MM201664;NCC(CO)=NOC=O;LYVPGQJKNBAXQC-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201665;MM201665;CCC(=NO)NOC=O;AWOMSIQUFTZVQB-UHFFFAOYSA-N;132.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201666;MM201666;CCC(=NOC=O)OC;KSKNPQFSTPHQMQ-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201667;MM201667;C#CC(=O)ON=C(N)CO;LVOQPFFGRZLXKQ-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201668;MM201668;NN=C(CC(F)CO)NO;LIYYETWTPLGUAI-UHFFFAOYSA-N;151.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201669;MM201669;O=CON=C(NO)NO;NUOGENTXRVYRIL-UHFFFAOYSA-N;135.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201670;MM201670;CC(C)=NOC(CO)CO;XFSNXWNLHSIDHC-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201671;MM201671;O=CC1(CO)CN(O)C=N1;GYAGVYINSPLWKK-UHFFFAOYSA-N;144.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201672;MM201672;C#CCC=C(CC)CC;UVDRUTIBOZTDOU-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201673;MM201673;C#CCC=C(CC)CN;WCUZCELVECBFMT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201674;MM201674;C#CC1(CC(O)CO)CN1;DEWGIXJLPCGXJB-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201675;MM201675;C#CCC=C(CC)CF;LHULFSMHSDFBRM-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201676;MM201676;C#CCC=C(CN)CN;BTMADJRAOXFSFS-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201677;MM201677;C#CCC=C(CO)CF;TVPSLRULLOWVKS-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201678;MM201678;C#CCC=C(CC)OC;CONSNDMCRQEIQR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201679;MM201679;C#CCC=C(CN)OC;WVECDKOPJIYYDE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201680;MM201680;C#CCC=C(CO)OC;JRYGSEAMPVPTOC-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201681;MM201681;C#CCNC(CO)=NO;BYFJOBUSJFQIJQ-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201682;MM201682;C#CCN=C(NN)NN;WSYZXYFSUGFQLU-UHFFFAOYSA-N;127.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201683;MM201683;C#CCN=C(NN)NO;FVPPZBJZZCADIM-UHFFFAOYSA-N;128.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201684;MM201684;C=CC(=CCCC)CC;CEGDXWKINDNSLW-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201685;MM201685;C=CC(=CCCN)CC;QBEYEMKKKHIGQN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201686;MM201686;C=CC(=CCCO)CC;ZSJFDBXQMKMKQI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201687;MM201687;C=CC(=CCCF)CC;QFWMNFNSITXXSI-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201688;MM201688;CCCC=C(C=O)CC;PYLMCYQHBRSDND-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201689;MM201689;CCCC=C(C#N)CC;ZVWPRHACYMLMEZ-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201690;MM201690;CCC(C#N)=CCCO;SKUJVZRLNPVAQL-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201691;MM201691;CCC(C=O)=CCCF;KTNTWZNNKYWUQY-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201692;MM201692;CCC(C#N)=CCCF;QHYOYKPDSPMKRY-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201693;MM201693;C=CC(=CCCC)CN;FGBHEMFPBSCGKS-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201694;MM201694;C=CC(=CCCC)CO;HWXNVGNTZYOFMQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201695;MM201695;C=CC(=CCCO)CO;KBGPFCHCKMWMEI-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201696;MM201696;C=CC(=CCCF)CO;SDBPLJXQKSMRBS-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201697;MM201697;CCCC=C(C=O)CO;FPLDATHLQYEVTA-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201698;MM201698;N#CC(=CCCO)CO;VQFMRZXEFDJKPH-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201699;MM201699;C=CC(=CCCC)CF;PBIHGEXIVXAZAM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201700;MM201700;C=CC(=CCCN)CF;OOZQXAHGCQIHJD-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201701;MM201701;C=CC(=CCCO)CF;DPBAWOKHLGBGHC-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201702;MM201702;C=CC(=CCCF)CF;GUSJFAZYNXWRGI-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201703;MM201703;CCCC=C(C=O)CF;LEYGEVMVLOAVPV-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201704;MM201704;CCCC=C(C#N)CF;JOZBUUQJBIUZJX-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201705;MM201705;O=CC(=CCCO)CF;WLZBRSDZAKMHMT-UHFFFAOYSA-N;132.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201706;MM201706;N#CC(=CCCF)CF;SYSWUKJZFXIGCL-UHFFFAOYSA-N;131.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201707;MM201707;C=CC(=CCNC)CC;NSDTZXVFTLYPHX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201708;MM201708;CNCC=C(C=O)CO;HGGMDDFNRVQSPA-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201709;MM201709;C=CC(=CCNC)CF;RMIMERCJLHNLTM-UHFFFAOYSA-N;129.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201710;MM201710;CNCC=C(C=O)CF;LNJUCMXZGXJYCC-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201711;MM201711;C=CC(=CCOC)CC;QFSYAPIUUBBODM-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201712;MM201712;CCC(C#N)=CCOC;FDLPNRXNKMAYKY-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201713;MM201713;COCC=C(C=O)CO;FHXALGAHSVKNAN-UHFFFAOYSA-N;130.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201714;MM201714;COCC=C(C#N)CO;ZDDILUGZRSRNRR-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201715;MM201715;C=CC(=CCOC)CF;GUIZBHMROMTFBQ-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201716;MM201716;C=CC(=CCCC)OC;OVUWLIUIWPFFMI-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201717;MM201717;C=CC(=CCCN)OC;RHKNRHKSJNBZJP-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201718;MM201718;C=CC(=CCCF)OC;STKKFCFLMIBPNB-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201719;MM201719;CCCC=C(C#N)OC;BESDWUXFUVPKFA-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201720;MM201720;COC(C#N)=CCCO;LCJQFHLZFKUVRQ-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201721;MM201721;C=CC(=CCNC)OC;IJTHKBSYZCEPNJ-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201722;MM201722;CNCC=C(C#N)OC;FFLZYXOQQLBINS-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201723;MM201723;C=CC(=CCOC)OC;IWYWKUFQLJHUGI-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201724;MM201724;CCNC=C(C#N)CC;WQNOEZQUWPGLOU-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201725;MM201725;C=CC(=COCC)CC;PAPDCCJJPYTXSB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201726;MM201726;CCOC=C(C#N)CC;NZDVKOMZLLVFCJ-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201727;MM201727;C=CC(=COCC)CN;JWJAMYXBJROTBU-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201728;MM201728;C=CC(=COCC)CO;XALUWXBSSFDYIF-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201729;MM201729;C=CC(=COCC)CF;FOWKBOWGIYZKAH-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201730;MM201730;C=CC(=COCC)OC;WYADCNABYNQERE-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201731;MM201731;CCOC=C(C=O)OC;CKNVCQSFDJMZHN-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201732;MM201732;CCOC=C(C#N)OC;BWWCFONILUBWJN-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201733;MM201733;C=CC(CC)=NNCC;YMCMVBXQBYWJRD-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201734;MM201734;C=CC(CC)=NOCC;ZQLQYEJUMSBCKQ-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201735;MM201735;COC(=O)N(N)C(=N)CO;KBLOBUHHIVIOHN-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201736;MM201736;C=CC(=NOCC)OC;IVBHHAKJWYEWMV-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201737;MM201737;C=CCC=C(C=C)CC;CVAONJXRTUAIDV-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201738;MM201738;C=CC(=CCC=O)CC;BTNIBCYEFXEWAS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201739;MM201739;C=CC(=CCC#N)CC;ITKIRFGQMSRSNO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201740;MM201740;C=CCC=C(C=O)CC;RJVVMQCHVNAMJN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201741;MM201741;C=CCC=C(C#N)CC;TXZUVMVIEXPALZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201742;MM201742;CCC(C=O)=CCC=O;GREOYCJIYBHUJQ-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201743;MM201743;CCC(C=O)=CCC#N;LDLYLSMFMMYNCD-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201744;MM201744;C=CCC=C(C=C)CN;UKTDNDOBJZHROE-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201745;MM201745;CC(=NN)C(F)C(F)CO;VMWBPFXPYZHNIG-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201746;MM201746;C=CCC=C(C=O)CO;JFYFMDZVOPKHDI-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201747;MM201747;N#CC(=CCC=O)CO;HTSPCCKKWZTTED-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201748;MM201748;C=CCC=C(C=C)CF;CQKOAAVWQJLFRA-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201749;MM201749;C=CC(=CCC=O)CF;KJVRWNODWVYGLR-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201750;MM201750;C=CC(=CCC#N)CF;DEEUDWWREOQTPA-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201751;MM201751;O=CCC=C(C=O)CF;ZSOVQBXKEBXUBX-UHFFFAOYSA-N;130.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201752;MM201752;C=CCC=C(C=C)OC;MVIFXGLBGYUBQV-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201753;MM201753;C=CC(=CCC#N)OC;XAPKXNNXTKVJAW-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201754;MM201754;C=CCC=C(C#N)OC;KNEMGYCVNXLJAD-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201755;MM201755;COC(C#N)=CCC=O;GTZZFQRNQOFVQV-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201756;MM201756;C=CC(=CNC=N)CC;VBUOXCGDSNMHRB-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201757;MM201757;C=CC(=CNC=O)CC;FDUPXXQSGCOJIE-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201758;MM201758;C=CC(=CNC=N)CN;XCTDXDATBOVXKL-UHFFFAOYSA-N;125.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201759;MM201759;C=CC(=CNC=O)CN;VKMRMUXEZVIYBE-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201760;MM201760;C=CC(=CNC=N)CO;INHNDNIFWAHNNE-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201761;MM201761;C=CC(=CNC=N)CF;QXRWWCZBHMILTI-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201762;MM201762;C=CC(=CNC=O)CF;QQEPVEMTYVGEFK-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201763;MM201763;O=CNC=C(C=O)CF;LCDKKRBFDXJETD-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201764;MM201764;C=NNCC(F)C#CCO;ZMOWRLNTSGLFII-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201765;MM201765;C=CC(=CNC=O)OC;OCLFAIOEWYOECI-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201766;MM201766;COC(C=O)=CN=CN;VRQVQQISMGHLIN-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201767;MM201767;COC(C=O)=CNC=O;LHEQBSGXVGZDHU-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201768;MM201768;C=COC=C(C=C)CC;NWFAQUZXJNMTNY-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201769;MM201769;C=CC(=COC=O)CC;RWJNHGRRZQKSFM-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201770;MM201770;C=COC=C(C=O)CC;STBIFABWHOSNMJ-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201771;MM201771;C=COC=C(C#N)CC;APVYHZZNGQEYLX-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201772;MM201772;CCC(C=O)=COC=O;ASHGJTHTPYUXLV-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201773;MM201773;CCC(C#N)=COC=O;ISVMOKASEJVQGC-UHFFFAOYSA-N;125.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201774;MM201774;C=COC=C(C=C)CN;QHXXYLFPCJCLBD-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201775;MM201775;C=COC=C(C=C)CO;ZLUPVCMHNINXSD-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201776;MM201776;C=COC=C(C=O)CO;NAMZYKAKEMYIDD-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201777;MM201777;O=COC=C(C=O)CO;TVWIEIZKEJZSSN-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201778;MM201778;C=COC=C(C=C)CF;DEFVGNJOZHRHTO-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201779;MM201779;C=CC(=COC=O)CF;MXBOJHBREUXHTF-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201780;MM201780;C=COC=C(C=C)OC;RGEUXLHERJSSKH-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201781;MM201781;C=CC(=COC=O)OC;SQHXRJGGLQUNNL-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201782;MM201782;C=COC=C(C=O)OC;MAGYARWBKGZNSV-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201783;MM201783;C=CC(CC)=NNC=O;AHZWALVBCCNTAL-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201784;MM201784;O=CNN=C(C=O)CO;DZHXQIGWZNWJOI-UHFFFAOYSA-N;130.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201785;MM201785;N#CC(CO)=NNC=O;ZKBUQRNANMLICG-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201786;MM201786;COC(C#N)=NOC=O;FQBVXNKPGAZXJA-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201787;MM201787;C#CCC=C(C=C)CC;UIBDEANQDJKNGB-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201788;MM201788;C#CCC=C(C=O)CC;OXUPRKGSQXJSAF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201789;MM201789;C#CCC=C(C#N)CC;PRSJQVFQYCTZLF-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201790;MM201790;C#CCC=C(C=C)CN;CMRRNMSYIVKCGV-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201791;MM201791;NN(C=O)C(=O)NCCO;XVFXNWXQXNCYLR-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201792;MM201792;C#CCC=C(C=O)CO;SDZKGYNXBZSUDO-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201793;MM201793;C#CCC=C(C#N)CO;RRAURSRMYLOUIZ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201794;MM201794;C#CCC=C(C=C)OC;KDXNASVQJJJQFE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201795;MM201795;C#CCC=C(C=O)OC;WOUVWLNYBBZMSV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201796;MM201796;C#CCC=C(C#N)OC;CLHWIGSAVOLFLE-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201797;MM201797;C#CC(=CCCC)CC;BBPLLIPYSWLLNQ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201798;MM201798;C#CC(=CCCN)CC;OZDGVAZWTRXJIA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201799;MM201799;C#CC(=CCCO)CC;YXHLCERRNASBIX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201800;MM201800;C#CC(=CCCF)CC;QFQAJDJIATWYTL-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201801;MM201801;C#CC(=CCCC)CN;AQSGGRCKTOWIKY-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201802;MM201802;C#CC(=CCCN)CN;YUCSYWCIKLJOHH-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201803;MM201803;C#CC(=CCCC)CO;BEMLRYPMYPXJKH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201804;MM201804;C#CC(=CCCC)CF;DPPXVZHPDVMWDZ-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201805;MM201805;C#CC(=CCCN)CF;XVVJPUQRMMXHCC-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201806;MM201806;C#CC(=CCCO)CF;QXVABEFENKCYNR-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201807;MM201807;C#CC(=CCNC)CC;OFRYVWQCUOQANT-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201808;MM201808;C#CC(=CCNC)CN;KFCHNFJGYWAAMW-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201809;MM201809;C#CC(=CCOC)CC;AWAVJJABZDGRIS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201810;MM201810;C#CC(=CCOC)CN;PDRIFIYMCMNLFO-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201811;MM201811;C#CC(=CCOC)CF;FHFQZBWAZYFCES-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201812;MM201812;C#CC(=CCCC)OC;LLXWZGFXLWSHAH-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201813;MM201813;C#CC(=CCCF)OC;OCEYZQIRLNAXOW-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201814;MM201814;C#CC(=CCOC)OC;YDOWGCXNZRAMMP-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201815;MM201815;C#CC(=COCC)CC;JJHXEYUCKMGVIC-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201816;MM201816;C#CC(=COCC)CN;JHULZKQQUGGEBA-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201817;MM201817;C#CC(=COCC)CF;YJHFQZILZQSLBS-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201818;MM201818;C#CC(=COCC)OC;PWJMMMHLCIIEDI-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201819;MM201819;C#CC(CC)=NOCC;XVNFGCFMMKROTK-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201820;MM201820;C#CC(=CCC=C)CC;XQUQDTOFJQRUPH-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201821;MM201821;C#CC(=CCC=O)CC;QQMLFPKXQZJYSL-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201822;MM201822;C#CC(=CCC#N)CC;IHQCMKOSCHUKKL-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201823;MM201823;C#CC(=CCC=C)CN;JOVXLMHYUFIIEC-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201824;MM201824;C#CC(=CCC=C)CO;AAKYDZRNGACXRL-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201825;MM201825;C#CC(=CCC=C)CF;PBZNKIHXWGCOLK-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201826;MM201826;C#CC(=CCC#N)CF;BQQFUZMLTPUXPR-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201827;MM201827;C#CC(=CCC=C)OC;HNVZVMWBWXCXKQ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201828;MM201828;C#CC(=CCC=O)OC;CEVLPTNFTZOTBV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201829;MM201829;C#CC(=CNC=N)CC;YZIGYHFVLPOUDH-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201830;MM201830;C#CC(=CNC=O)CC;ONPLDLWVOKTZHD-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201831;MM201831;C#CC(=CNC=N)CN;NEBNHDCWBRMQSK-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201832;MM201832;C#CC(=CNC=O)CN;CSCFWRMPHYPCNQ-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201833;MM201833;C#CC(=CNC=N)CO;GEGZKJSVYDIJHF-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201834;MM201834;C#CC(=CNC=O)CO;WEEGBWDERONDRV-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201835;MM201835;C#CC(=CNC=O)CF;FHUYHFXNKFMXPI-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201836;MM201836;C#CC(=COC=C)CC;TWZXVVDFGMITIN-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201837;MM201837;C#CC(=COC=O)CC;FEFZMUULWFYPGR-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201838;MM201838;C#CC(=COC=C)CN;XNSRPQFQUOGSKK-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201839;MM201839;C#CC(=COC=O)CN;NQXDKVMNYNKXBI-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201840;MM201840;C#CC(=COC=C)CF;GPGWSNLXTLNUIY-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201841;MM201841;C#CC(=COC=O)CF;LJDCYRXOPHMWOD-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201842;MM201842;C#CC(=COC=C)OC;QNUBCQMNFQJSLM-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201843;MM201843;C#CC(CC)=NNC=O;XLSXKNFCSUYTFZ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201844;MM201844;C#CC(CC)=NOC=O;SNRUSSVJAVLUCL-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201845;MM201845;C#CC(CO)=NOC=O;URUVIAYVTREMHD-UHFFFAOYSA-N;127.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201846;MM201846;C#CCC=C(C#C)CC;DPUKXUYLYTXGPP-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201847;MM201847;C#CCC=C(C#C)CN;LVHVFWSBCRNBNW-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201848;MM201848;C#CCC=C(C#C)CO;VIOIMRWPBVLXLU-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201849;MM201849;C#CCC=C(C#C)CF;GABVCUFXQSLWFC-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201850;MM201850;C#CCC=C(C#C)OC;IVVDVBODJSYWSN-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201851;MM201851;C=CC(C=C)=CCCC;VTTSDRCSFUAZOE-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201852;MM201852;C=CC(C=C)=CCCN;RWCHXOMTOQBKDF-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201853;MM201853;CCNN=C(C)C(F)CO;IOHIGTDHWFLCAQ-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201854;MM201854;C=CC(C=C)=CCCF;SAHNHKUDRSGDGM-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201855;MM201855;C=CC(C=O)=CCCC;LBHNHQDSGSTDCL-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201856;MM201856;C=CC(C#N)=CCCC;WUNXDRFEZBTHDR-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201857;MM201857;C=CC(C#N)=CCCO;VQMCJQMTOPSZNX-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201858;MM201858;C=CC(C=O)=CCCF;HQRJXSXMHUVPPE-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201859;MM201859;CCCC=C(C=O)C=O;IGAQMQJRNJWWOR-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201860;MM201860;CCCC=C(C#N)C=O;DZLJVFGIQUBSRW-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201861;MM201861;CCCC=C(C#N)C#N;HBFBWIDDAKEXAX-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201862;MM201862;N#CC(C=O)=CCCO;GWGSBZSHSHXTOS-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201863;MM201863;N#CC(C#N)=CCCO;XYNINOWMBKAHED-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201864;MM201864;C=CC(C=C)=CCNC;VOTOGEQJBMSOAK-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201865;MM201865;C=CC(C#N)=CCNC;XZKAWZFGEZYRCW-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201866;MM201866;CNCC=C(C=O)C=O;POCIYIBVQSLQKY-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201867;MM201867;C=CC(C=C)=CCOC;BODFNANYBYUWPF-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201868;MM201868;C=CC(C=O)=CCOC;BJJVRGGXIWLHQT-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201869;MM201869;C=CC(C#N)=CCOC;VPYNGCWEQSHPCB-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201870;MM201870;C=CC(C#N)=CNCC;LQIWHJRHGXUTDB-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201871;MM201871;C=CC(C=C)=COCC;HUESPFFVDBRLKM-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201872;MM201872;C=CC(C#N)=COCC;MOFSPLJYYHPDOJ-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201873;MM201873;CCOC=C(C=O)C=O;SVQBIRHRASYTNN-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201874;MM201874;CCOC=C(C#N)C=O;ZRJLAYJQCBEKRO-UHFFFAOYSA-N;125.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201875;MM201875;C=CC(C=C)=NNCC;YDYAODPXHCZFKJ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201876;MM201876;CCON=C(C)C(F)CO;UKSUBSYDNLPEGE-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201877;MM201877;C=NN(CCO)C(=N)CO;XOLQMPXOVZCBET-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201878;MM201878;C=CC(C=C)=NOCC;DRHVGJGTHWENBT-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201879;MM201879;C=CC(C=O)=NOCC;KCJHDBVYIGYWOU-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201880;MM201880;C=CC(C#N)=NOCC;TUIHNRHNXWQXJR-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201881;MM201881;C=CCC=C(C=C)C=C;HPMZHJSYEXJYRY-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201882;MM201882;C=CC(C=C)=CCC#N;NEEMKUFEHGDHCY-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201883;MM201883;C=CCC=C(C=C)C=O;KZUXQNPSZODMHJ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201884;MM201884;C=CCC=C(C#N)C=C;UCTYFUHARSIHAW-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201885;MM201885;C=CC(C=O)=CCC=O;FHFJGEIBIZLVGR-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201886;MM201886;C=CC(C#N)=CCC#N;DUHMASFZFIHPIJ-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201887;MM201887;C=CCC=C(C#N)C#N;JPNYHRIXHREOTJ-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201888;MM201888;O=CCC=C(C=O)C=O;XGMOGZJJTWXFNS-UHFFFAOYSA-N;126.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201889;MM201889;N#CC(C=O)=CCC=O;AVPJYIRZFFAOTN-UHFFFAOYSA-N;123.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201890;MM201890;C=CC(C=C)=CNC=N;NLERQHJAGJDRCB-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201891;MM201891;N=CNC=C(C=O)C=O;PXWWCSGHSDBXPL-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201892;MM201892;N#CC(C=O)=CNC=N;GCNAKMCCGNEACB-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201893;MM201893;N#CC(C=O)=CNC=O;JAKDXXCLCNVNOY-UHFFFAOYSA-N;124.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201894;MM201894;C=CN(N=CC)C(=O)CF;MBGDHWAPMQHFKH-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201895;MM201895;C=COC=C(C=C)C=C;OEFPQODFXXABRP-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201896;MM201896;C=CC(C=C)=COC=O;DSSYXNOUYOFWCE-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201897;MM201897;C=COC=C(C=C)C=O;HRZSLPIBLKHEOG-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201898;MM201898;C=COC=C(C#N)C=C;UJAHETMCRIOTMP-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201899;MM201899;C=CC(C#N)=COC=O;UWEZDAOFGSALRA-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201900;MM201900;C=COC=C(C#N)C=O;ONVWBXDOEAYASK-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201901;MM201901;C=COC=C(C#N)C#N;UAJSNMAPLVNKSN-UHFFFAOYSA-N;120.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201902;MM201902;COCC(=NN)C(F)CO;RHLWOIDDYORKTO-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201903;MM201903;N#CC(C=O)=NNC=O;WIZKOTBXMUQBNI-UHFFFAOYSA-N;125.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201904;MM201904;C=CC(C=C)=NOC=O;JRAODSZSJDTPPM-UHFFFAOYSA-N;125.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201905;MM201905;N#CC(C=O)=NOC=O;JBXZMOXWQQLVPB-UHFFFAOYSA-N;126.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201906;MM201906;C#CCC=C(C=C)C=C;IFOSPDDLQUUZGT-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201907;MM201907;C#CCC=C(C=C)C=O;ZVCZNFMYRMJYRD-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201908;MM201908;C#CCC=C(C#N)C=C;WQBBCVIAERADME-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201909;MM201909;C#CC(C=C)=CCCC;FLVGZOILKNERPD-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201910;MM201910;C#CC(C=C)=CCCN;ZNEKFLCQZPHGBF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201911;MM201911;C#CC(C=C)=CCCO;WMOYANIHCNJTEN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201912;MM201912;C#CC(C=C)=CCCF;QOAHTXNQAHLIEM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201913;MM201913;C#CC(C=O)=CCCC;KQZAYVFJZZAXIN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201914;MM201914;C#CC(C#N)=CCCC;YOYZAAAMSGXOHM-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201915;MM201915;C#CC(C=O)=CCCO;MECCGHHVSGNFIU-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201916;MM201916;C#CC(C#N)=CCCO;KTNMCYOSOYKJGG-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201917;MM201917;C#CC(C#N)=CCCF;MSUNPHQNDWBKBF-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201918;MM201918;C#CC(C=C)=CCNC;XCGAPQVJFHFYOP-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201919;MM201919;C#CC(C=O)=CCNC;ALBGXDFDDURTML-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201920;MM201920;C#CC(C=C)=CCOC;IUMGTBQRFPFUSM-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201921;MM201921;C#CC(C#N)=CNCC;IMBZEDSJNLTOCK-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201922;MM201922;C#CC(C=C)=COCC;JQGOFRZPLQUIHI-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201923;MM201923;C#CC(C=O)=COCC;CFEFPZIXZIPLGL-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201924;MM201924;C#CC(C#N)=COCC;FXFBPPMOUKZKOK-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201925;MM201925;C#CC(C=C)=NNCC;INYIBICCIAIVLB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201926;MM201926;C=NN=C(CO)N(C)CC;OCRROSCVSKTIAE-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201927;MM201927;C#CC(C=C)=NOCC;QVZIBTVZBZMJLM-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201928;MM201928;C#CC(C=C)=CCC=C;WVYNBQKIGDSNGO-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201929;MM201929;C#CC(C=C)=CCC=O;GUVXNQMVTJPSAZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201930;MM201930;C#CC(C=C)=CCC#N;KGLKPGXVCXXGQU-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201931;MM201931;C#CC(C=O)=CCC=C;YJFNYVBZRBVCFR-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201932;MM201932;C#CC(C#N)=CCC=C;VOUIUXHKINYDIL-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201933;MM201933;C#CC(C#N)=CCC=O;VQBFWNVGKVMAKH-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201934;MM201934;C#CC(C=C)=CNC=N;NXDYAMZBSNTBFN-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201935;MM201935;C=NOC(C#CCO)CF;BVJSKLLBDHYXTI-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201936;MM201936;C#CC(C=C)=COC=C;GSULUCJPSWRBNJ-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201937;MM201937;C#CC(C=C)=COC=O;ZZVDEDSLDUYZFM-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201938;MM201938;C#CC(C=O)=COC=C;RYNOHOQJTHMKHR-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201939;MM201939;C#CC(C#N)=COC=C;BUNVGBVEQBTAMX-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201940;MM201940;CON=C(CO)NCCF;KHIXNCHCWFOIHM-UHFFFAOYSA-N;150.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201941;MM201941;C#CC(C=C)=NOC=O;UDGOSNCIYKZRBU-UHFFFAOYSA-N;123.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201942;MM201942;C#CCC=C(C#C)C=C;RRYXKHFUZFMDCJ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201943;MM201943;C#CCC=C(C#C)C=O;YNRBXRCEVLDXOL-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201944;MM201944;C#CCC=C(C#C)C#N;GLSRPFHGURIKES-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201945;MM201945;C#CC(C#C)=CCCC;IRQCKIOAFLCBEB-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201946;MM201946;C#CC(C#C)=CCCN;GXFCYMBNFGMBKO-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201947;MM201947;C#CC(C#C)=CCCO;LEYFDNUHYLBWOV-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201948;MM201948;C#CC(C#C)=CCOC;JKIVGGGGLAKEPK-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201949;MM201949;C#CC(C#C)=COCC;KEIAESXQTIKGLH-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201950;MM201950;C#CC(C#C)=NNCC;CXYQMEDCTFJGMR-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201951;MM201951;C#CC(C#C)=CCC=C;BGALLYQEJLHURY-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201952;MM201952;C#CC(C#C)=CCC=O;SIPCQLWTPPPLCE-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201953;MM201953;C#CC(C#C)=CCC#N;HDWZGTQGXMVMSD-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201954;MM201954;C#CC(C#C)=CNC=N;SBJBJVLQYZWIAC-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201955;MM201955;C#CC(C#C)=COC=C;MHUUEDQXJYSZBR-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201956;MM201956;C#CC(C#C)=COC=O;SRSLXXVOSBXBOQ-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201957;MM201957;C#CCC=C(C#C)C#C;MZYZDASVOUTMNE-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201958;MM201958;CC=CC=C(CC)CC;BVRZNWMLUCOFDG-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201959;MM201959;CCC(=CC=CF)CC;CIQLPITZJXCUPG-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201960;MM201960;CC=CC=C(CC)CN;TUTXYGINSMUTGN-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201961;MM201961;CCC(=CC=CF)CN;JRNLQFGQPIEEIQ-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201962;MM201962;CCNC(CO)=NOCC;LOUXHYNGIXQCOR-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201963;MM201963;C#CC(C(C)O)N(O)C=N;YXBQWLYTURIZHS-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201964;MM201964;CC=CC=C(CC)CF;BWVHFEHTRJAVHL-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201965;MM201965;CC=CC=C(CN)CN;KFBNSMXZKXEZCV-UHFFFAOYSA-N;126.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201966;MM201966;NCC(=CC=CF)CN;FYHZKILBFZVQBM-UHFFFAOYSA-N;130.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201967;MM201967;CC=CC=C(CN)CF;XXMLXFRMUUEZNP-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201968;MM201968;NCC(=CC=CF)CF;HEZJKPJUMANHHP-UHFFFAOYSA-N;133.14;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201969;MM201969;CC=CC=C(CO)CO;UQOVHDAOQFUSRO-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201970;MM201970;CC=CC=C(CO)CF;FBMOBDIZIHUGHP-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201971;MM201971;CCC(=CC=NN)CC;ZUIFZQGFPGUIJN-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201972;MM201972;Nc1c(N)c(O)n(O)c1N;DFAQRGRFVUNROS-UHFFFAOYSA-N;144.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201973;MM201973;CCC(=CC=NN)CF;KVNNTPKEPDRZIA-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201974;MM201974;CCC(=CC=NO)CF;BCYWEINSZQOFBJ-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201975;MM201975;NCC(=CC=NO)CN;JEPJVECTMUBWOK-UHFFFAOYSA-N;129.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201976;MM201976;NCC(=CC=NO)CO;SOAATGFSXOTAGI-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201977;MM201977;NCC(=CC=NO)CF;KJLVISPAFBIUDI-UHFFFAOYSA-N;132.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201978;MM201978;Cn1c(F)c(CO)oc1=N;MZVZRQWSJFITKH-UHFFFAOYSA-N;146.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201979;MM201979;OCC(=CC=NO)CO;CCYSEVYIUOTHTK-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201980;MM201980;NN=CC=C(CF)CF;ZPQLKHSPYXCDGO-UHFFFAOYSA-N;134.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201981;MM201981;CCC(C=CNN)=NC;XXWVRPGIROBOLY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201982;MM201982;CCC(C=CNO)=NC;FQMUAXZDDJUCCK-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201983;MM201983;CNC(=CC=NO)CN;KIOXJTPMLLWRPB-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201984;MM201984;CN=C(C=CNN)CO;FMBNTIDLGOFSOH-UHFFFAOYSA-N;129.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201985;MM201985;CN=C(C=CNO)CO;VHTMEVZOLADGOA-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201986;MM201986;CN=C(C=CNN)CF;MIMCMVDMBNLOMJ-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201987;MM201987;CC=CC=C(CC)OC;JEYIFHUAZCFSNY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201988;MM201988;CCC(=CC=CF)OC;KKOAACWMDZDNIW-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201989;MM201989;CC=CC=C(CN)OC;GXQQMLRGRROIND-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201990;MM201990;COC(=CC=CF)CN;QGILPLZLORLVJX-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201991;MM201991;CC=CC=C(CO)OC;PCJYICMZEBLNPJ-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201992;MM201992;COC(=CC=CF)CO;HJYYKXYPSQFWJO-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201993;MM201993;CCC(=CC=NN)OC;YTOMBMTWQCQQKK-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201994;MM201994;CCC(=CC=NO)OC;ZXFUHBFCLNERFR-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201995;MM201995;COC(=CC=NO)CN;STSSSNXZFSCVKM-UHFFFAOYSA-N;130.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201996;MM201996;CNC(=NC=NO)NN;ZMGRKUOVJGKQMP-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201997;MM201997;CN=CN=C(NN)NN;WKLHJMRKBDBOCO-UHFFFAOYSA-N;130.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201998;MM201998;NN=CN=C(NN)NN;VPLVRQVVCSIYMJ-UHFFFAOYSA-N;131.14;-2.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM201999;MM201999;NNC(=NC=NO)NN;DFXRLGAUJGOBHS-UHFFFAOYSA-N;132.13;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202000;MM202000;CN=CN=C(NN)NO;AKAMYSOCNNIRJI-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202001;MM202001;NNC(=NC=NO)NO;RSDUPMFUYHNYJR-UHFFFAOYSA-N;133.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202002;MM202002;ON=CN=C(NO)NO;KJLGGXOIRTXANR-UHFFFAOYSA-N;134.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202003;MM202003;C=C1C(O)CN2C(C)C12C;DUUNKBSPBGMVAT-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202004;MM202004;C#CC=NOC(CO)CO;PODWCWRUKKTRPS-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202005;MM202005;COC(=NC=NO)NN;ZLGIEUOITCRZTG-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202006;MM202006;COC(=NC=NO)NO;VWPHIRXFHTZJKA-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202007;MM202007;CC=NN=C(CC)CO;AMQKLXYAPNLDLX-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202008;MM202008;CC=NN=C(CO)CF;URSKYCGCFRKKPJ-UHFFFAOYSA-N;132.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202009;MM202009;CC=NN=C(CC)OC;GODMXNWCHBSUBW-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202010;MM202010;CC=NN=C(CF)OC;UNDYDBYVTDGUPE-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202011;MM202011;N#CC(CO)NN=CCO;FGTVNYUYDFYEIX-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202012;MM202012;C=CC(=CC=CC)CC;IBLRHDHIRXNDQT-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202013;MM202013;C=CC(=CC=CF)CC;BQWHPWHCJNEADZ-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202014;MM202014;CC=CC=C(C=O)CC;RPSWBSGXESFCML-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202015;MM202015;CC=CC=C(C#N)CC;KDRRXPPKCISWJE-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202016;MM202016;CCC(C=O)=CC=CF;VYDACEGRVBABDU-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202017;MM202017;CCC(C#N)=CC=CF;KIVSXLSREBGBLQ-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202018;MM202018;C=CC(=CC=CC)CN;LJEZBUSVDZGPAT-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202019;MM202019;C=CC(=CC=CF)CN;NHARODBXUMTRNF-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202020;MM202020;COC(=NN)N(O)CCO;BIZCFOOIIJBXKL-UHFFFAOYSA-N;149.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202021;MM202021;C#CCN(O)C(=NN)NO;UHBYXWVUJXUMPE-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202022;MM202022;CC=CC=C(C=O)CO;LNRQZDPTTPAGDQ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202023;MM202023;CC=CC=C(C#N)CO;XJVXBUMOLJYLSP-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202024;MM202024;C=CC(=CC=CC)CF;DHVQFNWHDUAXJR-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202025;MM202025;C=CC(=CC=CF)CF;JAYKJHWABXOZRE-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202026;MM202026;CC=CC=C(C=O)CF;DSGMNYVFQZUYJX-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202027;MM202027;CC=CC=C(C#N)CF;XIXDVPOBHHAEHF-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202028;MM202028;O=CC(=CC=CF)CF;ZOGZBSYMVAAFLV-UHFFFAOYSA-N;132.11;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202029;MM202029;N#CC(=CC=CF)CF;PWFDUIIKXWSIHZ-UHFFFAOYSA-N;129.11;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202030;MM202030;C=CC(=CC=NN)CC;UBGRYIFRHOXDKG-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202031;MM202031;CC12CNN(C=O)C1C2O;VIPAWIVMBDTSNA-UHFFFAOYSA-N;142.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202032;MM202032;CCC(C=O)=CC=NO;IGGXUMPOEYPOOA-UHFFFAOYSA-N;127.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202033;MM202033;CCC(C#N)=CC=NO;VYAVWVOSVYXANG-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202034;MM202034;N#CC(=CC=NO)CO;SLIKKXUEOSQNFN-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202035;MM202035;C=CC(=CC=NN)CF;MJWZSNMKQSSPQH-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202036;MM202036;C=CC(=CC=NO)CF;HXHKWZLOQTYYMT-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202037;MM202037;C=CC(C=CNN)=NC;QBXOUTMLBWGPRO-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202038;MM202038;C=CC(=CC=CC)OC;XYFKFRCZZRBSMI-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202039;MM202039;C=CC(=CC=CF)OC;HUPXTOAUSYRAIH-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202040;MM202040;CC=CC=C(C#N)OC;CJHFPPOPLUPDGA-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202041;MM202041;COC(C=O)=CC=CF;FPYDSENAKLGCDZ-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202042;MM202042;COC(C#N)=CC=CF;QVYSSEXFQBHNDW-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202043;MM202043;C=CC(=CC=NN)OC;RZAFIWOWEBKMSR-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202044;MM202044;C=CC(=CC=NO)OC;WISQCJNTFJNQHA-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202045;MM202045;C=CC(CC)=NN=CC;NDIDCZDCLYDLNN-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202046;MM202046;CC=NN=C(C#N)CC;IJXCJFPYMUOGPW-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202047;MM202047;C=CC(CO)=NN=CC;GSQUNFIEZAUYBB-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202048;MM202048;C=CC(CF)=NN=CC;SLQUTBJFBNGUAE-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202049;MM202049;CC=NN=C(C#N)CF;WTDLNONVHMRTDV-UHFFFAOYSA-N;127.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202050;MM202050;C=CC(=NN=CC)OC;GCCARLWYKUFLGM-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202051;MM202051;C#CC(=CC=CC)CC;QDBZLPVASLZIMM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202052;MM202052;C#CC(=CC=CF)CC;DWODBGJKIOQVEQ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202053;MM202053;C#CC(=CC=CC)CN;UQOZINNZEHNVCQ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202054;MM202054;C#CC(=CC=CC)CO;NTWSFWRZNIBAPT-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202055;MM202055;C#CC(=CC=CC)CF;BHPOCVBRJIJDTP-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202056;MM202056;C#CC(=CC=CF)CF;PDZXMSGEJXTJEU-UHFFFAOYSA-N;128.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202057;MM202057;C#CC(=CC=NN)CC;DOAADRGKBKOKAV-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202058;MM202058;C#CC(=CC=NO)CC;YESRNJMWQTYKNF-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202059;MM202059;C#CC(=CC=NO)CN;BCZPCHVIURSWSZ-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202060;MM202060;C#CC(=CC=NN)CF;SRBVHMQWCPOPEN-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202061;MM202061;C#CC(=CC=NO)CF;ARVPONBLAHFGOJ-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202062;MM202062;C#CC(=CC=CC)OC;BFZSWISVCJYCFF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202063;MM202063;C#CC(=CC=CF)OC;GYAMKBMKIMBEBD-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202064;MM202064;C#CC(=CC=NN)OC;HKMPGKJTLUATBV-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202065;MM202065;C#CC(CF)=NN=CC;SWEOURYHINQQMP-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202066;MM202066;C#CC(=NN=CC)OC;LFHTZUXFJKJXNW-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202067;MM202067;C=CC(C=C)=CC=CC;XIGINZCHWRUFML-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202068;MM202068;C=CC(C=C)=CC=CF;VPIJUUZAIUWYOE-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202069;MM202069;C=CC(C=O)=CC=CC;ALBQRFQSFJLUTH-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202070;MM202070;C=CC(C#N)=CC=CC;AYOYDGBGHYYFSB-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202071;MM202071;C=CC(C=O)=CC=CF;BTCJPQNIKMRQBN-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202072;MM202072;C=CC(C#N)=CC=CF;SPBFUGBKBJGKAI-UHFFFAOYSA-N;123.13;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202073;MM202073;CC=CC=C(C=O)C=O;UXBPVFOFQYVYRJ-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202074;MM202074;CC=CC=C(C#N)C=O;CQTSANXDAYETTJ-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202075;MM202075;CC=CC=C(C#N)C#N;ONPNRDPIIWGIQZ-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202076;MM202076;N#CC(C#N)=CC=CF;UPJGGQIDHOXODB-UHFFFAOYSA-N;122.1;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202077;MM202077;C=CC(C=C)=CC=NN;BEHXWOJUORDYTE-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202078;MM202078;C=CC(C=C)=CC=NO;QPRFSMATAOKEGX-UHFFFAOYSA-N;123.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202079;MM202079;C=CC(C#N)=CC=NO;KKQPHSYYAQPDSM-UHFFFAOYSA-N;122.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202080;MM202080;C=CC(C=C)=NN=CC;NITKDXXGUJCJHV-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202081;MM202081;CC=NN=C(C=O)C=O;LLKZJNPRJRUISK-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202082;MM202082;CC=NN=C(C#N)C=O;WZQCKBNMQMTKDP-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202083;MM202083;CC=NN=C(C#N)C#N;DCKVUQHOJWFRLV-UHFFFAOYSA-N;120.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202084;MM202084;C#CC(C=C)=CC=CC;CKYJXNKMVFALSM-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202085;MM202085;C#CC(C=C)=CC=CF;WSUYKQJNHYDSNF-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202086;MM202086;C#CC(C=O)=CC=CC;ZYLMZKNTOHZGEW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202087;MM202087;C#CC(C#N)=CC=CC;TUWXZPHMCACKDY-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202088;MM202088;C#CC(C=O)=CC=CF;OXETXMKVRGNJAE-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202089;MM202089;C#CC(C#N)=CC=CF;SURBLPRWGSLGTJ-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202090;MM202090;C#CC(C=C)=CC=NN;IUDRUACNEWESHV-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202091;MM202091;C#CC(C=C)=CC=NO;ZXANYICUOUFSNH-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202092;MM202092;C#CC(C#N)=CC=NO;KMAMXPSZJYFPFY-UHFFFAOYSA-N;120.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202093;MM202093;C#CC(C=C)=NN=CC;HSYBCBXQFJYPMR-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202094;MM202094;C#CC(C=O)=NN=CC;KNHXQZVJHKTDSZ-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202095;MM202095;C#CC(C#N)=NN=CC;ZEYDQVPFJXYSJO-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202096;MM202096;C#CC(C#C)=CC=CC;AWVXFUTWCOFROC-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202097;MM202097;C#CC(C#C)=CC=CF;UDNVHCKRKMXWPW-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202098;MM202098;C#CC(C#C)=CC=NN;AYCRVTCUQGCYRB-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202099;MM202099;C#CC(C#C)=CC=NO;JLQDFCKDKMSANJ-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202100;MM202100;C#CC(C#C)=NN=CC;PJOVWAJXCQESES-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202101;MM202101;CC#CC=C(CC)CC;OJSHYJAEMZITND-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202102;MM202102;CC#CC=C(CC)CN;YVPJKIRFNRRAMK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202103;MM202103;CC#CC=C(CC)CO;XBBDFRWCIIIUTM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202104;MM202104;CC#CC=C(CC)CF;BELJDASDPQHRMI-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202105;MM202105;CC#CC=C(CO)CF;CCRMGHLWXICQFQ-UHFFFAOYSA-N;128.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202106;MM202106;CC#CC=C(CF)CF;INIZCSDFVFWKIN-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202107;MM202107;CC#CC=C(CC)OC;XVISHXIUTCWNNQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202108;MM202108;CC#CC=C(CO)OC;BNUUZWJBGGTFHI-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202109;MM202109;CC#CC=C(CF)OC;QRSPXLWZBCHQNN-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202110;MM202110;C=CC(=CC#CC)CC;HGLLJJSGRCIKOJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202111;MM202111;CC#CC=C(C=O)CC;HDGMFQHGYABASO-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202112;MM202112;CC#CC=C(C#N)CC;UVVDSUNCWYGCKY-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202113;MM202113;C=CC(=CC#CC)CN;WBGLJAHONAXDFU-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202114;MM202114;C=CC(=CC#CC)CO;YKIHLZGXJLGPHU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202115;MM202115;C=CC(=CC#CC)CF;FXCHOOSMNPDJSN-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202116;MM202116;CC#CC=C(C=O)CF;OQJYAOIHMLHEGE-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202117;MM202117;CC#CC=C(C#N)CF;HSEXLGUDCWNXJF-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202118;MM202118;C=CC(=CC#CC)OC;LZVFZFRHIBVLPJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202119;MM202119;CC#CC=C(C=O)OC;JZFPYOBHRODWLP-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202120;MM202120;CC#CC=C(C#N)OC;UIPJLJSDENVOSD-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202121;MM202121;C#CC(=CC#CC)CC;FUTNKQYTEAWBKT-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202122;MM202122;C#CC(=CC#CC)CN;JCRSFARYIVJMQZ-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202123;MM202123;C#CC(=CC#CC)CO;HDIQDWDJYVCPLN-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202124;MM202124;C#CC(=CC#CC)CF;ISQUGSSCNXPEFA-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202125;MM202125;C#CC(=CC#CC)OC;DDSQNVKOAIMKDX-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202126;MM202126;C=CC(C=C)=CC#CC;WHAVWQLTQNTSMZ-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202127;MM202127;C=CC(C=O)=CC#CC;DBENLVBAKZWIOM-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202128;MM202128;C=CC(C#N)=CC#CC;FEFIDSFPMPWYSO-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202129;MM202129;CC#CC=C(C=O)C=O;XPYJFVGLZWWWGE-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202130;MM202130;CC#CC=C(C#N)C=O;MBANVXJVUVGCDU-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202131;MM202131;C#CC(C=C)=CC#CC;ICQDUHVRIPTULA-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202132;MM202132;C#CC(C=O)=CC#CC;SSZLHVIQXHSQKL-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202133;MM202133;C#CC(C#N)=CC#CC;OIDDUCCTXHXADJ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202134;MM202134;C#CC(C#C)=CC#CC;RECMJCYVLVLKHN-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202135;MM202135;CCC1(CC)CCC1C;BYEGPEKRKSDHJV-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202136;MM202136;CCC1(CN)CCC1C;RSKHVJDADHIKDS-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202137;MM202137;CCCn1cnc(CO)c1;JUKGEFQATJAKDS-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202138;MM202138;CC1CCC1(CN)CN;DSQQAMZHAXUESN-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202139;MM202139;CC1CCC1(CO)CO;OTWSIFKPLMRKMG-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202140;MM202140;CCC1(CC)CCC1N;HGCYGECFSYHKKP-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202141;MM202141;NCC1(CO)CCC1N;AFAHUOAJTWZBIT-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202142;MM202142;CCC1(CN)CCC1O;LHGIIYMUVXNNKL-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202143;MM202143;CCC1(CO)CCC1O;VLVHKBVDGOKPKQ-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202144;MM202144;NCC1(CN)CCC1O;VAEONIDTKKNWQJ-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202145;MM202145;NCC1(CO)CCC1O;BZQHFTVZZJCIHG-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202146;MM202146;CCC1(NC)CCC1C;JSAIGJJRAMPVLP-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202147;MM202147;CNC1(CN)CCC1C;KYZIRAJJUMCISS-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202148;MM202148;CNC1(CN)CCC1N;WHMWLOJYBZWQMK-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202149;MM202149;CNC1(CO)CCC1N;XTFQBLRKRLQXJV-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202150;MM202150;CNC1(CO)CCC1O;NGEQEYVERJMCPL-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202151;MM202151;CCC1(OC)CCC1C;WKIYGYQEMHPXOW-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202152;MM202152;CCC1(OC)CCC1N;GXANHOVWACTCTJ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202153;MM202153;CCC1(CC)CNC1C;OVFNBBBBJBOMNF-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202154;MM202154;CCC1(CN)CNC1C;GFPUECOGSFATMM-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202155;MM202155;CC1NCC1(CN)CN;IMYZFAAPUMKTJE-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202156;MM202156;CC1NCC1(CN)CO;RSUQHIWPSLPBNE-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202157;MM202157;CC1NCC1(CO)CO;RCHQNEJWSXECHG-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202158;MM202158;CNC1(CN)CNC1C;VXJJZPFSQJDSEU-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202159;MM202159;CNC1(CO)CNC1C;JIQCGXBLNDFRHF-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202160;MM202160;CCC1(CC)COC1C;DSXQALVOKGDYGO-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202161;MM202161;CCC1(CN)COC1C;IZYQGPCSLOWHHF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202162;MM202162;CCC1(CO)COC1C;UAMYJYDDAFTJQE-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202163;MM202163;CC1OCC1(CN)CN;OAYRNHXWWNIPQX-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202164;MM202164;CC1OCC1(CN)CO;ZXCPZZKIMVQKKY-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202165;MM202165;CC1OCC1(CO)CO;LSYILPCSWAQZMU-UHFFFAOYSA-N;132.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202166;MM202166;CNC1(CN)COC1C;IUJHZUYREWLDFS-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202167;MM202167;CCC1(OC)COC1C;DDILGRWPHIORCM-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202168;MM202168;CCC1(CC)NCC1C;IAEBETLOJLRDGQ-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202169;MM202169;CC1CNC1(CN)CN;SBKUFPYRCFNPBZ-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202170;MM202170;CC1CNC1(CN)CO;NTEFLWVTUHOFPZ-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202171;MM202171;CCC1(CC)NCC1N;JHPWULAHTBTQDY-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202172;MM202172;CCC1(CO)NCC1N;MDMASKLHXQZGCB-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202173;MM202173;CN1CCC1(CN)CN;HNUMOEKZZMDYIR-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202174;MM202174;C=CC1(CC)CCC1C;NEOUHMMFRBINKK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202175;MM202175;C=CC1(CC)CCC1N;NFQLSJZENQBZBR-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202176;MM202176;C=CC1(CN)CCC1N;RMIDBNMPPZGJLO-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202177;MM202177;C=CC1(CN)CCC1O;RNFOHSUOHIWNMB-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202178;MM202178;C=CC1(NC)CCC1N;MKIDZCBGNOZSFM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202179;MM202179;CCC1(C=O)CNC1C;BFVJMYAXVQGHJT-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202180;MM202180;C=CC1(NC)CNC1C;IQLUCRRHHJOJJB-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202181;MM202181;C=CC1(OC)CNC1C;HGYNMDOTMIIQDU-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202182;MM202182;COC1(C#N)CNC1C;MISUZVHKKUUPTD-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202183;MM202183;CCC1(C=O)COC1C;QOXJZIAFPSGGMQ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202184;MM202184;C=CC1(CC)NCC1C;TXIXIRBXQCTHCT-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202185;MM202185;C=CC1(CO)NCC1C;DXNFMTDPOYMFAI-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202186;MM202186;C=CC1(CC)CCN1C;VMCOMNIQQKEQPJ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202187;MM202187;C=CC1(CN)CCN1C;CFPDMFVUVZFORT-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202188;MM202188;NN=c1c(N)cn(O)n1N;DHLJKWICIVKJGN-UHFFFAOYSA-N;144.14;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202189;MM202189;C#CC1(CN)CCC1N;CNZZPESZCZMIHB-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202190;MM202190;C#CC1(CF)CCC1O;RCODVJFCVJRWSW-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202191;MM202191;C=CC1(C=C)CCC1N;ZUFBDCAXGPNZCR-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202192;MM202192;CC1NCC1(C=O)C=O;WXWVOCJGLOIEDJ-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202193;MM202193;C=CC1(C=O)COC1C;IETWAQLWLJZJPP-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202194;MM202194;C=CC1(C#N)COC1C;GGRZFCVUTVNIRD-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202195;MM202195;CC1OCC1(C=O)C=O;NTRIRLQLZLALOT-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202196;MM202196;C=CC1(C#N)NCC1C;FFUXIKAFGFORRZ-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202197;MM202197;CC1CNC1(C#N)C=O;DYVIATHCEFLCTQ-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202198;MM202198;C=CC1(C=C)NCC1N;ZJIVHNHJTGKCIN-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202199;MM202199;C=CC1(C#N)CCN1C;XFKFLUBMBWMOKN-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202200;MM202200;CN1CCC1(C=O)C=O;DJDWBVMHRBTZLO-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202201;MM202201;CN1CCC1(C#N)C=O;INRUYFXDHCOUGP-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202202;MM202202;C#CC1(C=C)COC1C;LTXOKHIIFWACIU-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202203;MM202203;CCC1(CC)CCC1=O;QWJVGOPQOXGVSW-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202204;MM202204;CCC1(CO)CCC1=O;CKUJXHBGQOYNDC-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202205;MM202205;CCC1(NC)CCC1=O;MBRHOTXKJVFQGG-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202206;MM202206;CCC1(CC)CNC1=O;XHMUOLXEAFNULF-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202207;MM202207;CCC1(CN)CNC1=O;HAOOCUBULOOWLK-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202208;MM202208;CCC1(CO)CNC1=O;LLICHHMUNQKRCN-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202209;MM202209;NCC1(CN)CNC1=O;DDFLBELCIUKSIZ-UHFFFAOYSA-N;129.16;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202210;MM202210;CCC1(CC)COC1=O;FQFQWTFNRFUWKM-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202211;MM202211;CCC1(CN)COC1=O;ZIPTZLCGEVWOIH-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202212;MM202212;CCC1(NC)COC1=O;TUKKFYNXWZJLMX-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202213;MM202213;CCC1(OC)COC1=O;JQQLPYHKZATHPW-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202214;MM202214;N=Cn1nc(CO)c(=O)o1;NQKHQYNKLBTKMA-UHFFFAOYSA-N;143.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202215;MM202215;C=CC1(CC)CCC1=O;IHFIWRBTOHCFLD-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202216;MM202216;CCC1(C=O)CCC1=O;ABYPCLGRQVPUGE-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202217;MM202217;C=CC1(CO)CCC1=O;CAQGBHYKBAFERT-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202218;MM202218;O=CC1(CO)CCC1=O;XLYXTZSIQAHRGQ-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202219;MM202219;COC1(C#N)CCC1=O;QPZSCFBOWCRCAT-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202220;MM202220;C=CC1(CC)CNC1=O;BQDSLADEJWEMMX-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202221;MM202221;CCC1(C=O)CNC1=O;WGYBKCYUNGHUOG-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202222;MM202222;CCC1(C#N)CNC1=O;DESLGYPRLLSYLC-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202223;MM202223;C=CC1(CN)CNC1=O;KGFUTUMCGDYGIK-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202224;MM202224;N#CC1(CO)CNC1=O;RZAKZDFIHJMXEE-UHFFFAOYSA-N;126.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202225;MM202225;C=Cn1onc(NO)c1=N;KNCMBXUDKWTDNL-UHFFFAOYSA-N;142.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202226;MM202226;CNC1(C#N)CNC1=O;SZEZLEXDUNVGOL-UHFFFAOYSA-N;125.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202227;MM202227;COC1(C=O)CNC1=O;DAZFMRHLBNPPOH-UHFFFAOYSA-N;129.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202228;MM202228;COC1(C#N)CNC1=O;AKCCVNMWWCXENA-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202229;MM202229;C=CC1(CC)COC1=O;AHFRFPBSVLGOMQ-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202230;MM202230;CCC1(C=O)COC1=O;HZTNJVJFHGOATJ-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202231;MM202231;CCC1(C#N)COC1=O;ZACGJUKGGOOHQT-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202232;MM202232;C=CC1(CN)COC1=O;YRUZYXZWADMSFL-UHFFFAOYSA-N;127.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202233;MM202233;C=CC1(CO)COC1=O;VIBIDUJBTCQCME-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202234;MM202234;N#CC1(CO)COC1=O;JISWYEKVDWZWPI-UHFFFAOYSA-N;127.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202235;MM202235;N#CC1(CF)COC1=O;NMBDQJUINFGFQT-UHFFFAOYSA-N;129.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202236;MM202236;C=CC1(NC)COC1=O;WSQRHZFWDIOIOI-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202237;MM202237;CNC1(C=O)COC1=O;FZYJZZIUWBOKKX-UHFFFAOYSA-N;129.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202238;MM202238;CNC1(C#N)COC1=O;UTIUIVUYLORHIY-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202239;MM202239;COC1(C#N)COC1=O;ITVLYABZKBGWEU-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202240;MM202240;C=CC1(CO)OCC1=O;HAJHKRDPSZJFGN-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202241;MM202241;C#CC1(CC)CCC1=O;WBEAZKXGLMOHOJ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202242;MM202242;C#CC1(CC)CNC1=O;FEIPMTSKPNYUOU-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202243;MM202243;C#CC1(CN)CNC1=O;MDAITZAWJZAFLP-UHFFFAOYSA-N;124.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202244;MM202244;C#CC1(CO)CNC1=O;PQXNISLSGNPPKL-UHFFFAOYSA-N;125.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202245;MM202245;C#CC1(OC)CNC1=O;RROBRGDHOWOWDQ-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202246;MM202246;C#CC1(CC)COC1=O;ALMWKGADCUCNKD-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202247;MM202247;C#CC1(CN)COC1=O;KXVKCXRCHBUXCM-UHFFFAOYSA-N;125.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202248;MM202248;C#CC1(CO)COC1=O;XZNHXYWCZWZYHJ-UHFFFAOYSA-N;126.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202249;MM202249;C#CC1(CF)COC1=O;JBSWDGKGBMBAJU-UHFFFAOYSA-N;128.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202250;MM202250;C#CC1(NC)COC1=O;DOZAPRMHKQTAES-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202251;MM202251;C#CC1(OC)COC1=O;YRINDPKQWGKXBI-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202252;MM202252;C=CC1(C=C)CCC1=O;HSDVWLKFKXDISD-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202253;MM202253;C=CC1(C=O)CCC1=O;ZXSOSKUCBNDDQO-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202254;MM202254;C=CC1(C=C)CNC1=O;GWWLETFLBZCYFE-UHFFFAOYSA-N;123.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202255;MM202255;C=CC1(C=O)CNC1=O;MBMLLVHHNGPINW-UHFFFAOYSA-N;125.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202256;MM202256;N#CC1(C=O)CNC1=O;QVCRWOGXFBFPTL-UHFFFAOYSA-N;124.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202257;MM202257;N#CC1(C#N)CNC1=O;ABVPRLMLFQWAOA-UHFFFAOYSA-N;121.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202258;MM202258;C=CC1(C#N)COC1=O;BYHGYFXEZPMSSZ-UHFFFAOYSA-N;123.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202259;MM202259;N#CC1(C=O)COC1=O;MJHFTJUOLGUZMM-UHFFFAOYSA-N;125.08;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202260;MM202260;N#CC1(C#N)COC1=O;MBMHRDPQFZLMAY-UHFFFAOYSA-N;122.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202261;MM202261;CNn1onc(CO)c1=O;VMXUPTXBUOGTCQ-UHFFFAOYSA-N;145.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202262;MM202262;C#CC1(C=C)CNC1=O;LNXCQSOSIVRIMC-UHFFFAOYSA-N;121.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202263;MM202263;C#CC1(C=O)CNC1=O;ASGYZGFCTBYCFP-UHFFFAOYSA-N;123.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202264;MM202264;C#CC1(C#N)CNC1=O;VFCVVGDMXMQHAF-UHFFFAOYSA-N;120.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202265;MM202265;C#CC1(C=O)COC1=O;ANOJQWLCYFCDNT-UHFFFAOYSA-N;124.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202266;MM202266;C#CC1(C#N)COC1=O;OLDLJHFCWKRARC-UHFFFAOYSA-N;121.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202267;MM202267;C#CC1(C#C)CNC1=O;CCSREDMJCRRUCG-UHFFFAOYSA-N;119.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202268;MM202268;C#CC1(C#C)COC1=O;CLPRVPGIOISLMP-UHFFFAOYSA-N;120.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202269;MM202269;CCC1(CC)CC1CF;YKYBZOZKOLWOOE-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202270;MM202270;CCC1(CN)CC1CO;WAKAIMABDCFPLR-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202271;MM202271;CCC1(CO)CC1CF;IHJPFNPUNKNKSY-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202272;MM202272;CCC1(CC)CC1C#N;WTVYWLHLDKSBFG-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202273;MM202273;C#CC1CC1(CC)CN;SQYLMIOIBUQLIC-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202274;MM202274;C=CC1(CC)CC1CC;MSHAVEQLRWYSCW-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202275;MM202275;C=CC1(CC)CC1CN;GXCVVPTTXNFYPF-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202276;MM202276;C=CC1(CC)CC1CF;UBZLPMVYQGZUCI-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202277;MM202277;CCC1(C#N)CC1CO;WFAXXLBPAKAPHC-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202278;MM202278;CCC1(C#N)CC1CF;VNZMKDNRKBROMT-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202279;MM202279;C=CC1(CN)CC1CN;JBPYNYSAKUNBRH-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202280;MM202280;C=CC1(CN)CC1NC;SEGARTIFNFKSSX-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202281;MM202281;C=CC1(CN)CC1OC;ASADLUKPCZVQPB-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202282;MM202282;C=CC1(NC)CC1NC;IAQUMJFYUDBTKP-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202283;MM202283;C=CC1(CC)NC1CF;WYRVUMOYQXVBFS-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202284;MM202284;C=CC1CNC(CO)=NO1;GHWGACGQLRJTKQ-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202285;MM202285;OCC1=NN=C(CF)CN1;LKRKYGLGIVACSV-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202286;MM202286;C=CC1(CC)OC1CF;STQLYQDEVHLQBZ-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202287;MM202287;C=CC1(CC)CC1C=O;OWBRPXCCHWDEHS-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202288;MM202288;C=CC1CC1(C#N)CC;YPBYTAULCMXOPA-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202289;MM202289;CCC1(C#N)CC1C=O;UHQUSZXONXMTBB-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202290;MM202290;CCC1(C#N)CC1C#N;OOSVYWKMQYRURL-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202291;MM202291;C=CC1CC1(C=C)CN;HGDJTIOERQZMNF-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202292;MM202292;C=CC1=NN=C(CO)NC1;KWKYRGXFAXCJGC-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202293;MM202293;C=CC1CC1(C#N)CF;ICXDOADEHYRJFL-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202294;MM202294;Nc1cc(NO)n[nH]1;YSGKQGCLGFXJCQ-UHFFFAOYSA-N;114.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202295;MM202295;C#CC1CC1(C=C)CC;XTZBUKVSTCEEKV-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202296;MM202296;C#CC1CC1(C=O)CC;KCTVIOYQQFWDIH-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202297;MM202297;C#CC1CC1(C#N)CC;POMPGUJOCNXQBJ-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202298;MM202298;C#CC1NC1(C=C)CC;IHMSYYPJFRXVQQ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202299;MM202299;C#CC1(CC)CC1CC;XQVUVOOKABOYGN-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202300;MM202300;Cc1cc(CF)[nH]n1;HDFFOGLTLLDINK-UHFFFAOYSA-N;114.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202301;MM202301;C#CC1(CC)CC1CF;WVLAVPFMVFIVBD-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202302;MM202302;C#CC1(CN)CC1CC;GUOMTXVKYYSOQV-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202303;MM202303;C#CC1(CN)CC1CN;JPHSEHGHZVGDTD-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202304;MM202304;C#CC1(CN)CC1CO;UVKMHWIOJBMYRT-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202305;MM202305;C#CC1(CO)CC1CN;QBPOVUAPBQHHHM-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202306;MM202306;C#CC1(CO)CC1CO;OKNWTRDIGILPCN-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202307;MM202307;C#CC1(CO)CC1CF;QTGNMUKAMHBVAP-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202308;MM202308;C#CC1(CF)CC1CN;WPKRVEHUGANJAU-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202309;MM202309;C#CC1(CC)CC1NC;HIFMXKGSQQDCFY-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202310;MM202310;C#CC1(CN)CC1NC;PVPYAOYAHRBGQC-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202311;MM202311;C#CC1(CC)CC1OC;SRUVJQLTVPHUJQ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202312;MM202312;C#CC1(CN)CC1OC;BQCQKSLTBVIHCU-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202313;MM202313;C#CC1(NC)CC1CC;DJJRUAACBIVZQQ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202314;MM202314;C#CC1(NC)CC1CF;ZAOSEHFJOHYJRR-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202315;MM202315;C#CC1(NC)CC1NC;UTNREVPWVMFBLV-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202316;MM202316;C#CC1(CC)NC1CC;AKWKBDSGIQLEOX-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202317;MM202317;C#CC1(CC)NC1CN;AAWMZQMWKYXGKL-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202318;MM202318;CNc1nc(C)co1;FPXULDNVCXUSHC-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202319;MM202319;C#CC1(CC)NC1CF;SKLWEEVYFDZAMZ-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202320;MM202320;C#CC1(CN)NC1CC;HGOURFSICTXZTN-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202321;MM202321;C#CC1(CN)NC1CN;JZZGGHHZYJWGEK-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202322;MM202322;NN=C(N)C#CC(N)=O;YWPSIPZLTAKGNO-UHFFFAOYSA-N;126.12;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202323;MM202323;C#CC1(CC)OC1CC;JKPOUHZBQLWOLI-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202324;MM202324;C#CC1(CC)OC1CO;KRCVOLHLWKANTC-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202325;MM202325;C#CC1(CC)OC1CF;HCQIZHZJJQFULI-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202326;MM202326;C#CC1(CN)OC1CF;YOACOFMFPFTIPL-UHFFFAOYSA-N;129.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202327;MM202327;C#CC1(CC)CN1CC;QVZJXULBGQIGAA-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202328;MM202328;C#CC1(CN)CN1CC;SPTUUVQTKFNREU-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202329;MM202329;C#CC1(CC)CC1C=C;HWKLMDMIRNPMQX-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202330;MM202330;C#CC1(CC)CC1C=O;QIOLDXIZTZJYOZ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202331;MM202331;C#CC1(CC)CC1C#N;AKEYNPZHDZTWQA-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202332;MM202332;C#CC1(CN)CC1C=C;QTVRSXITGAOTKK-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202333;MM202333;CC=CC=NOC(N)=O;XXWVUMBOPGSAFT-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202334;MM202334;C#CC1(CO)CC1C=O;KAARTIBYBACKFN-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202335;MM202335;C#CC1(CC)NC1C=C;KDEIUZHRHQSIPC-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202336;MM202336;N=C(C=O)N(O)C=CF;HEVKPHWRSXVJGC-UHFFFAOYSA-N;132.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202337;MM202337;C#CC1(CC)NC1C#N;STBRMUGXCJVVRO-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202338;MM202338;C#CC1(CC)OC1C=O;DLPIKWSUTDYBSM-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202339;MM202339;C#CC1CC1(C#C)CC;MTGSXBDMBWNDDM-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202340;MM202340;C#CC1NC1(C#C)CC;DFVXZEBBNNSWFR-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202341;MM202341;C#CC1OC1(C#C)CC;BDFDPKDSRDMDSL-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202342;MM202342;CCC1(CC)CCCC1;DPGQSDLGKGLNHC-UHFFFAOYSA-N;126.24;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202343;MM202343;CCC1(CN)CCCC1;OTQXRFMVYKTLAT-UHFFFAOYSA-N;127.23;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202344;MM202344;Cc1nc(CO)cn1N;LPUCCFUBVVKYLU-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202345;MM202345;NCC1(CN)CCCC1;CSMSTXROIMQHME-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202346;MM202346;CNC1(CN)CCCC1;UAPBRGZWDDYYSW-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202347;MM202347;CNC1(CO)CCCC1;HHNUGMYIQYDOSH-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202348;MM202348;CCC1(OC)CCCC1;SUTBBADFKCKKBQ-UHFFFAOYSA-N;128.22;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202349;MM202349;CCC1(CC)CCNC1;MHFVZMTVFSGIBV-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202350;MM202350;CCC1(CN)CCNC1;PPVFMYCLJOAUFJ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202351;MM202351;NCC1(CN)CCNC1;GELRIMQAWHJFLC-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202352;MM202352;CCC1(NC)CCNC1;UKSMLWKSOXLJKT-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202353;MM202353;CNC1(CN)CCNC1;JCLAUXWRKSJGNW-UHFFFAOYSA-N;129.21;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202354;MM202354;CCC1(OC)CCNC1;HVOCBZGZOHWATQ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202355;MM202355;CCC1(CC)CCOC1;PPVZAMMUBCHBDQ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202356;MM202356;CCC1(CN)CCOC1;PFXSONMLECXXAE-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202357;MM202357;NCC1(CN)CCOC1;PCXDTEXAKHVDAQ-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202358;MM202358;CCC1(NC)CCOC1;XZANWWULMTVPAN-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202359;MM202359;CNC1(CN)CCOC1;UKZHVWVUMUJZBG-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202360;MM202360;COC1(OC)CCOC1;DOLJOERLFKHNEY-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202361;MM202361;CCC1(CN)CCCN1;ZJCDYCJSBPFVHQ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202362;MM202362;CCC1(CC)OCCO1;VEMJEYFBPWSPHU-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202363;MM202363;CC(C)c1coc(N)n1;WIOHEPKTAHGOHM-UHFFFAOYSA-N;126.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202364;MM202364;N#CC1(CF)CCCC1;YFMOJOSWRDGSPR-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202365;MM202365;CNC1(C=O)CCCC1;YXNKFOVDZQXWMZ-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202366;MM202366;C=CC1(OC)CCCC1;XQRQVXWUAHHWST-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202367;MM202367;C=CC1(CC)CCNC1;OJDJYKAVCGPYPB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202368;MM202368;CCC1(C=O)CCNC1;LAIAFCJRRQVRLU-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202369;MM202369;C=CC1(CN)CCNC1;WVVXYICYECSNJB-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202370;MM202370;C=CC1(NC)CCNC1;UMYPSAQHGKABDV-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202371;MM202371;CNC1(C=O)CCNC1;GMZXHSIQZMNAOS-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202372;MM202372;C=CC1(CC)CCOC1;HJZPLNIXALJGRL-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202373;MM202373;CCC1(C=O)CCOC1;HYVAOGCMFFDTOG-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202374;MM202374;C=CC1(CN)CCOC1;TWRSIGMFGCAYSR-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202375;MM202375;COC1(C#N)CCOC1;NGTJRYJNBGLABX-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202376;MM202376;CCC1(C=O)CCCN1;XTLGQJZWPPVVGS-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202377;MM202377;C=CC1(CN)CCCN1;RUUJNPJKAZQONJ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202378;MM202378;C=CC1(CC)OCCO1;USRYHFPJVIKINJ-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202379;MM202379;CCC1(C#N)OCCO1;JBCAFJSLNGNMSW-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202380;MM202380;N#CC1(CO)OCCO1;YSKNOOWMSIUPJM-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202381;MM202381;C#CC1(CN)CCCC1;SEKAWJMISNUKPN-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202382;MM202382;CN=C(CO)N(N)C=O;DMTZFEBBPMYZCP-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202383;MM202383;C#CC1(CN)CCNC1;BPLWYAJGUMLLQA-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202384;MM202384;C#CC1(CO)CCNC1;SWULGLHJNWASOQ-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202385;MM202385;C#CC1(CC)CCOC1;SFTRGXKHERZEEW-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202386;MM202386;C#CC1(CC)CCCN1;NFCOHPAZDWXGOS-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202387;MM202387;C=CC1(C=O)CCCC1;QVWKTSDFYXLYEZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202388;MM202388;C=CC1(C#N)CCCC1;KFEWYTWSVHCTNZ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202389;MM202389;O=CC1(C=O)CCCC1;LCMKQLYIANNZSD-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202390;MM202390;C=CC1(C=C)CCNC1;YECOEOFAXGXLGF-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202391;MM202391;C=CC1(C=C)CCOC1;AJEPIARNOFIKME-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202392;MM202392;C=CC1(C=O)CCOC1;DHHWXDQVYWIDKG-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202393;MM202393;C=CC1(C#N)CCOC1;XKJCTXAYLIDQIB-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202394;MM202394;C=CC1(C=O)CCCN1;FUGCJVANVXAVMP-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202395;MM202395;N#CC1(C#N)CCCN1;HNFRMVPQMZZJND-UHFFFAOYSA-N;121.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202396;MM202396;C=CC1(C=C)OCCO1;ICYIEJOFSVBVOR-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202397;MM202397;C=CC1(C#N)OCCO1;VACWUOMGRLLFNH-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202398;MM202398;N#CC1(C=O)OCCO1;AOBBWHDFGCDOFD-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202399;MM202399;C#CC1(C=C)CCCC1;JIFXBOSSGMVFJP-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202400;MM202400;C#CC1(C=C)CCNC1;YNCWBQYSBAMUMC-UHFFFAOYSA-N;121.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202401;MM202401;C#CC1(C=C)CCOC1;UGEPIJDUCMCIKM-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202402;MM202402;C#CC1(C=O)CCOC1;XPSUITVMAYMLCW-UHFFFAOYSA-N;124.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202403;MM202403;C#CC1(C#N)CCCN1;SZTQVRPNDHRZDK-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202404;MM202404;C#CC1(C=C)OCCO1;QGSWNMNQRQIPOV-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202405;MM202405;C#CC1(C#C)CCCC1;YMXMQKBIWFFVMS-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202406;MM202406;C#CC1(C#C)CCNC1;RZCQFESGGZCXEL-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202407;MM202407;C#CC1(C#C)CCOC1;KXSUIJOYEYEDCZ-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202408;MM202408;C#CC1(C#C)CCCN1;AMOQCXUBBKMRFA-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202409;MM202409;CCC1(CC)CC=CC1;IQZOAVJMFSKFQM-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202410;MM202410;CCC1(CN)CC=CC1;GCOBPTGMCPHDMJ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202411;MM202411;CN=C(CO)NOC=O;FOCWZIAOWMUNBU-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202412;MM202412;NCC1(CN)CC=CC1;XWVFPTFVRUMNOK-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202413;MM202413;NCC1(CO)CC=CC1;PFZLMJOZJBIMEK-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202414;MM202414;CCC1(NC)CC=CC1;LLHHJPDRNFHQHJ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202415;MM202415;CNC1(CN)CC=CC1;MCPDBXTZZUWDJU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202416;MM202416;CNC1(CO)CC=CC1;DODGRAGIVIKSIF-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202417;MM202417;CCC1(OC)CC=CC1;LSDLUQAJKRYHEB-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202418;MM202418;CCC1(CN)CC=NN1;MMSNBFOKXYWAFG-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202419;MM202419;NCC1(CN)CC=NN1;PLQFDZPMHHBPHM-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202420;MM202420;CCC1(CN)CN=CN1;LKPNZQMVTPQESB-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202421;MM202421;NCC1(CN)CN=CN1;AXHLXDOLZLJFOU-UHFFFAOYSA-N;128.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202422;MM202422;CCC1(CN)CC=CO1;RRCKAQQAPDPIQN-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202423;MM202423;CCC1(CN)CC=NO1;MODJTNDRRWPORT-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202424;MM202424;CCC1(OC)CC=NO1;ZKWBXGZOLVUBEA-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202425;MM202425;CCC1(CC)OC=CO1;HOMANNWVKGBSBS-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202426;MM202426;CCC1(CC)OC=NO1;KDHROFXKZLUYGE-UHFFFAOYSA-N;129.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202427;MM202427;C=CC1(CC)CC=CC1;AWLDDNUGFJSEEQ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202428;MM202428;CCC1(C=O)CC=CC1;ODWRYASKKRXCCU-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202429;MM202429;C=CC1(CN)CC=CC1;SUNOCKXRGFXQRV-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202430;MM202430;CNC(C#N)C#CCO;NEMOFFRHZZIIBW-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202431;MM202431;C=CC1(OC)CC=CC1;LGGQXFIKRKPHMD-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202432;MM202432;C=NOCC1(CO)CO1;PTFNHKLPQKGPKC-UHFFFAOYSA-N;131.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202433;MM202433;C=CC1(CC)OC=CO1;WLXKRAIYDACPCN-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202434;MM202434;C=CC1(CN)OC=CO1;GRQJXMVCZHVPSR-UHFFFAOYSA-N;127.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202435;MM202435;C#CC1(CC)CC=CC1;KBUUAADEOJLKEC-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202436;MM202436;C#CC1(CN)CC=CC1;LGHAKHFQKCSFBT-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202437;MM202437;C=CC1(C=C)CC=CC1;XGIUTBOORRRPDV-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202438;MM202438;C=CC1(C=O)CC=CC1;VLJYEJLUEWJSLL-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202439;MM202439;C=CC1(C#N)CC=CC1;VQCZSTAEUOAAKS-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202440;MM202440;N#CC1(C#N)CC=CC1;TUTUTJQCFMRIAX-UHFFFAOYSA-N;118.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202441;MM202441;C=CC1(C=C)CC=NN1;VCEBLYACICWJRT-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202442;MM202442;C=Cc1nc(CC)c[nH]1;OTEJPVLVRILBPJ-UHFFFAOYSA-N;122.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202443;MM202443;OCC12CC1N(O)C=N2;VAEBCPCGUURWSN-UHFFFAOYSA-N;128.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202444;MM202444;C=CC1(C=O)OC=CO1;HSCHHYAQGWKQMV-UHFFFAOYSA-N;126.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202445;MM202445;N#CC1(C=O)OC=CO1;WNCLMEMTAVTRQN-UHFFFAOYSA-N;125.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202446;MM202446;C=CC1(C=C)OC=NO1;QEVZLOZCJRYTNK-UHFFFAOYSA-N;125.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202447;MM202447;C=CC1(C=O)OC=NO1;GUBGVIXGEDYASX-UHFFFAOYSA-N;127.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202448;MM202448;C#CC1(C=C)CC=CC1;GZURDGVWCHCLTQ-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202449;MM202449;C#CC1(C#N)CC=CC1;NHWMFHFLODDSLY-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202450;MM202450;C=C(OC(C)=NN)C(C)O;QSANCTNAZMTNKD-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202451;MM202451;C=C(C=NN)CC(O)CO;ZVTPMJZBLVYNMK-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202452;MM202452;CC(F)=CN(O)C(=N)C=O;NPVWDZIAJVYILT-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202453;MM202453;C#CC1(C=C)CC=CO1;ZNHFDFWPHMUNAS-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202454;MM202454;C#CC1(C#N)CC=CO1;IENGPVGVMLTPLK-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202455;MM202455;C#CC1(C=O)OC=CO1;RZQJGLFYUACZDA-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202456;MM202456;C#CC1(C#C)CC=CC1;BOYQLPIRJCALLW-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202457;MM202457;CCC1(O)CN(CC#N)C1;NRZLILIERBULCA-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202458;MM202458;CC(=O)N=C(CO)N(C)N;BSLLFFZMESSOPX-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202459;MM202459;C#CC1(C#C)CC=CO1;BEWQHDMFBAYFMI-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202460;MM202460;C#CC1(C#C)CC=NO1;AGAUPJPNBUCSMU-UHFFFAOYSA-N;119.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202461;MM202461;CCC1(CC)C=CCC1;BRFOFYXSADOBSU-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202462;MM202462;CCC1(CN)C=CCC1;UGOPXKYOURTWSC-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202463;MM202463;C=NOC(=N)N(O)CCF;CWFHUNRXEVMJIY-UHFFFAOYSA-N;149.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202464;MM202464;CCC1(NC)C=CCC1;WSYGWFWRXXVROR-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202465;MM202465;CNC1(CN)C=CCC1;CXPNCVKGUNVWOI-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202466;MM202466;CNC1(CO)C=CCC1;WLUZVPRLONEYJT-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202467;MM202467;CCC1(OC)C=CCC1;PKCGBEMNAWPZEY-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202468;MM202468;COC1(CN)C=CCC1;MLVDYSJKRYEKQR-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202469;MM202469;CCC1(CC)C=NNC1;SDEOKABTCWMJBA-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202470;MM202470;CNC1(CN)C=NNC1;ANIWTPGUAOZTKG-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202471;MM202471;CON=C(C)N(O)C=CF;BVRPEMMURGOWGF-UHFFFAOYSA-N;148.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202472;MM202472;COC1(CN)C=NNC1;LXPRVVDAGLDLLD-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202473;MM202473;CCC1(CC)C=COC1;MPTVKSDHQFRXCW-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202474;MM202474;CCC1(CN)C=COC1;QJTUZHNGJDXBAK-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202475;MM202475;CCC1(NC)C=COC1;HOVBFZQEIIUVAN-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202476;MM202476;CNC1(CN)C=COC1;UKVJYAHPBMJYDQ-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202477;MM202477;CCC1(OC)C=COC1;FHRDQYTXWJUWGI-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202478;MM202478;COC1(CN)C=COC1;SLKVTQANGIRXGH-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202479;MM202479;CCC1(CC)C=NOC1;QFFHDPTYTFIGLD-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202480;MM202480;CCC1(CN)C=NOC1;RWFDZGRGOPUMPZ-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202481;MM202481;NC(=O)N(N)CC#CCO;BKHQDKADMFBDRU-UHFFFAOYSA-N;143.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202482;MM202482;NCC1(CN)C=NOC1;RTMBERLKJNYHPG-UHFFFAOYSA-N;129.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202483;MM202483;CNC1(CN)C=NOC1;SWZVWHODHKLVIQ-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202484;MM202484;COC1(CN)C=NOC1;WHDAOWFGBRQJAF-UHFFFAOYSA-N;130.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202485;MM202485;CCC1(CO)C=CCN1;KGEGYXCHNDZHBV-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202486;MM202486;NCC1(CN)C=CCN1;SYKVRLOHAMMHBJ-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202487;MM202487;NCC1(CO)C=CCN1;REHMFLDCWRIRCA-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202488;MM202488;CCC1(OC)C=CCO1;XRZVOFNRSOTTOB-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202489;MM202489;COC1(CN)C=CCO1;BDYBUCASRQXRHY-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202490;MM202490;C=CC1(CC)C=CCC1;TXBIWWSEOIHPTE-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202491;MM202491;CCC1(C#N)C=CCC1;PPWVOJVZTHJMGT-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202492;MM202492;C=CC1(CN)C=CCC1;CIKRWNPRMQNAEQ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202493;MM202493;CNC1(C#N)C=CCC1;JUJVSMNFJMCKNQ-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202494;MM202494;C=CC1(OC)C=CCC1;XIYMNYALXFCISN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202495;MM202495;CNC(CO)(CO)C(F)F;YXDFXXWGKIPTEE-UHFFFAOYSA-N;155.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202496;MM202496;CC(C=O)ON=C(N)CO;CYIANUGVXMAXAA-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202497;MM202497;CC(CO)N=C(C#N)NO;SNTPFCYRMZLCPY-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202498;MM202498;COC(=N)NC(CO)=NN;KPIRWXCFOXFRCT-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202499;MM202499;CN=C(CO)NOC(C)=O;PDQPDRYKNLCCHG-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202500;MM202500;COC1(C#N)C=COC1;AGRAOQXXIVDGOE-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202501;MM202501;CCC1(C=O)C=NOC1;MDWIMHJRMFLBJH-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202502;MM202502;CNC1(C=O)C=NOC1;LBXZRDJAIXEPPE-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202503;MM202503;COC1(C=O)C=NOC1;NTFJURLYDZKMNX-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202504;MM202504;CCC1(C=O)C=CCN1;OZSIFILYSIOSOE-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202505;MM202505;CCC1(C#N)C=CCN1;JDSVCPBRWVLYEV-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202506;MM202506;C=CC1(CC(O)CO)CN1;ICLHCCXNZPLAFS-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202507;MM202507;COC1(C#N)C=CCO1;CRZBYJQXDZDATR-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202508;MM202508;C#CC1(CC)C=CCC1;ZUKWLUSRUXTFSS-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202509;MM202509;C#CC1(CC)C=NNC1;RKUOUYJPCUPXRE-UHFFFAOYSA-N;122.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202510;MM202510;O=CC1(CC(O)CO)CN1;NUYZXHVOGZLPKP-UHFFFAOYSA-N;145.16;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202511;MM202511;CC=NOC(C)C#CCO;OMLLMAUMMOHPDN-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202512;MM202512;C#CC1(CC)C=COC1;KFSWLKPETDIXAB-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202513;MM202513;C#CC1(OC)C=COC1;QLNMWNUQWMZXRJ-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202514;MM202514;C#CC1(NC)C=NOC1;SFYZVXNCSOCDFB-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202515;MM202515;C#CC1(CN)C=CCN1;LNRHWGLDQLNTNQ-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202516;MM202516;C#CC1(OC)C=CCO1;LIQSWFKQMMZFSA-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202517;MM202517;C=CC1(C=C)C=CCC1;CEKMTDTZMDRHCP-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202518;MM202518;C=CC1(C#N)C=CCC1;QCJFDTIOQQPNJE-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202519;MM202519;O=CC1(C=O)C=CCC1;FECRFYCAXSHGJH-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202520;MM202520;N#CC1(C#N)C=CCC1;ZCGGNCVEFHOAEU-UHFFFAOYSA-N;118.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202521;MM202521;C=CC1(C=C)C=NNC1;SQMRUOUEDFKJCP-UHFFFAOYSA-N;122.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202522;MM202522;NN=COCCC(O)CO;JYFAEJOSWZIXKA-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202523;MM202523;CCCON=CC(F)CO;HOLZKXAUZOBYJY-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202524;MM202524;N#CCON=CC(F)CO;SGFAFHKUNFOBHC-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202525;MM202525;C=CC1(C=C)C=COC1;DZTWIVXYNQIDRX-UHFFFAOYSA-N;122.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202526;MM202526;N#CC1(C#N)C=COC1;NEURKMVKLUDDNM-UHFFFAOYSA-N;120.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202527;MM202527;C=CC1(C=C)C=NOC1;DDBNRSNNFWQPRN-UHFFFAOYSA-N;123.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202528;MM202528;C=CC1(C=O)C=NOC1;PPBZVKGPJYPSNH-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202529;MM202529;O=CC1(C=O)C=NOC1;UUYCSFWVFAEHFD-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202530;MM202530;N#CC1(C#N)C=NOC1;SSSLYCSTPJCJHY-UHFFFAOYSA-N;121.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202531;MM202531;C=CC1(C=C)C=CCN1;CZEYGAPZDYJHDB-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202532;MM202532;C=CC1(C#N)C=CCN1;QODAJIGTVPCSFP-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202533;MM202533;C=CC1(C=O)C=CCO1;RDBNXHBWVVUKAJ-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202534;MM202534;C#CC1(C=C)C=CCC1;BPJDFAAMMMAXNS-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202535;MM202535;C#CC1(C=O)C=CCC1;VJIXISHEVUSWFM-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202536;MM202536;C#CC1(C#N)C=CCC1;BWEQFUOUTNACOI-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202537;MM202537;C#CC1(C=C)C=NNC1;CBVVPTXKHCLNDS-UHFFFAOYSA-N;120.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202538;MM202538;NN=CNN=CC(F)CO;DIBUWCBGGXCYLN-UHFFFAOYSA-N;148.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202539;MM202539;C#CC1(C=C)C=COC1;RLFQIHXLLMHZHP-UHFFFAOYSA-N;120.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202540;MM202540;C#CC1(C#N)C=COC1;LHQMUWOETCAMHY-UHFFFAOYSA-N;119.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202541;MM202541;C#CC1(C=C)C=NOC1;FSFQDPQOIIDANG-UHFFFAOYSA-N;121.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202542;MM202542;C#CC1(C#N)C=NOC1;RDAVEIKQAYURNL-UHFFFAOYSA-N;120.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202543;MM202543;C#CC1(C=C)C=CCN1;RAPRLYLRUXGNFR-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202544;MM202544;C#CC1(C#N)C=CCN1;AOZLGLSIYFEHDJ-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202545;MM202545;C#CC1(C#C)C=CCC1;ZASNICRFVHZGPW-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202546;MM202546;CCN(N)C(CO)=NC=O;GZYXFMDRYJDNTJ-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202547;MM202547;C#CC1(C#C)C=COC1;VFBSMUWBBRZLIL-UHFFFAOYSA-N;118.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202548;MM202548;C#CC1(C#C)C=NOC1;LHKAUSHUXDSMFI-UHFFFAOYSA-N;119.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202549;MM202549;C#CC1(C#C)C=CCO1;UYGOWLGOPUVHKM-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202550;MM202550;CCC1(CC)C=CC=C1;VKWMOOFWZGJOQO-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202551;MM202551;CCC1(CN)C=CC=C1;FNKKBBRPWIFYFL-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202552;MM202552;CNN(C)C(CO)=NC=O;XUNAHXDFODVVAF-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202553;MM202553;CCC1(NC)C=CC=C1;HXPPNBFNPHPSRW-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202554;MM202554;CNC1(CN)C=CC=C1;ZTVCBCRWEJDBSM-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202555;MM202555;CNC1(CO)C=CC=C1;BQEORFUJGZETCZ-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202556;MM202556;CCC1(OC)C=CC=C1;DUJDQQLNFCAVCF-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202557;MM202557;COC1(CO)C=CC=C1;NKMRAAPYXGYRGE-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202558;MM202558;COC1(OC)C=CC=C1;ZGUUKHUATOCUGL-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202559;MM202559;CCC1(CC)C=NN=C1;LANOPPZMSGYQIA-UHFFFAOYSA-N;124.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202560;MM202560;NCC1(CN)C=NN=C1;WIESAMDFLCBDIE-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202561;MM202561;CNC1(CN)C=NN=C1;OLFKSHGTCBDUFD-UHFFFAOYSA-N;126.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202562;MM202562;CCC1(OC)C=NN=C1;UOCUYMWGQZCJPQ-UHFFFAOYSA-N;126.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202563;MM202563;COC1(CN)C=NN=C1;USJXCGLKZJGDCE-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202564;MM202564;COC1(OC)C=NN=C1;XFAAXIAJPUYINZ-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202565;MM202565;C=CC1(CC)C=CC=C1;IRHCYYAVFUNOMY-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202566;MM202566;CCC1(C#N)C=CC=C1;LBKJTCSJGFWXBK-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202567;MM202567;C=CC1(CN)C=CC=C1;XDPNGVOLWOGJSM-UHFFFAOYSA-N;121.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202568;MM202568;CCN=C(CO)N(N)C=O;VKFKQNWVAGZQLE-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202569;MM202569;C=CC1(CF)C=CC=C1;ICSHDGSVXJNKQB-UHFFFAOYSA-N;124.16;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202570;MM202570;C=CC1(NC)C=CC=C1;VAWMKRCLVHNAPW-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202571;MM202571;CNC1(C#N)C=CC=C1;YOWAWFKKPMJNDL-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202572;MM202572;C=CC1(OC)C=CC=C1;NLCKGOAUWJLSJG-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202573;MM202573;COC1(C=O)C=CC=C1;GEFZWGNMNFTUOG-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202574;MM202574;COC1(C#N)C=CC=C1;NXOVBQYLSXORSL-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202575;MM202575;C=CC1(CC)C=NN=C1;PBOOEDNZMWPUGH-UHFFFAOYSA-N;122.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202576;MM202576;CCC1(C#N)C=NN=C1;CUNAIZOKESXPAR-UHFFFAOYSA-N;121.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202577;MM202577;C=CC1(CN)C=NN=C1;HBNFOOUNNMHVGP-UHFFFAOYSA-N;123.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202578;MM202578;C=CC1(CO)C=NN=C1;VDMBYUKTENYDLA-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202579;MM202579;CNC1(C=O)C=NN=C1;XCQPBOFTZFYOEE-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202580;MM202580;CNC1(C#N)C=NN=C1;RPGZUXQVQVAEAI-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202581;MM202581;COC1(C#N)C=NN=C1;KSZRKPKTUYTOCF-UHFFFAOYSA-N;123.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202582;MM202582;C#CC1(CC)C=CC=C1;QSVJFMDRMLAVJQ-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202583;MM202583;C#CC1(CN)C=CC=C1;IJCMBIOGKNGCEG-UHFFFAOYSA-N;119.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202584;MM202584;C#CC1(CF)C=CC=C1;NVJCNUODQFQYIU-UHFFFAOYSA-N;122.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202585;MM202585;C#CC1(OC)C=CC=C1;SXQLSPXEHQRKFU-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202586;MM202586;C#CC1(CC)C=NN=C1;UWFHHOHCMXMCAO-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202587;MM202587;C#CC1(NC)C=NN=C1;KDWPLYNHSIFCGQ-UHFFFAOYSA-N;121.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202588;MM202588;C#CC1(OC)C=NN=C1;MHMHGLZPIPMHOK-UHFFFAOYSA-N;122.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202589;MM202589;C=CC1(C=C)C=CC=C1;VBINSWFOYNNMGE-UHFFFAOYSA-N;118.18;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202590;MM202590;C=CC1(C=O)C=CC=C1;PXBCOCSXEMNPGJ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202591;MM202591;C=CC1(C#N)C=CC=C1;WPOBDTVKZDJZHQ-UHFFFAOYSA-N;117.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202592;MM202592;O=CC1(C=O)C=CC=C1;AQZYINYOWVAJOH-UHFFFAOYSA-N;122.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202593;MM202593;N#CC1(C#N)C=CC=C1;DOBHRUPBMGMQHW-UHFFFAOYSA-N;116.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202594;MM202594;C=CC1(C=C)C=NN=C1;RNMXNTCWEVZZCV-UHFFFAOYSA-N;120.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202595;MM202595;C=CC1(C=O)C=NN=C1;FJFQBCWPAQHKJK-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202596;MM202596;O=CC1(C=O)C=NN=C1;WXYDSJYUOFWCJX-UHFFFAOYSA-N;124.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202597;MM202597;N#CC1(C#N)C=NN=C1;MHLPBZRVWAZRFQ-UHFFFAOYSA-N;118.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202598;MM202598;C#CC1(C=C)C=CC=C1;PACWAZDANCLGSM-UHFFFAOYSA-N;116.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202599;MM202599;C#CC1(C=O)C=CC=C1;YTYFNBUMFRDEPR-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202600;MM202600;C#CC1(C#N)C=CC=C1;IOTIEVUVHKCCLP-UHFFFAOYSA-N;115.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202601;MM202601;C#CC1(C=C)C=NN=C1;CGFVEPYYXSCOMF-UHFFFAOYSA-N;118.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202602;MM202602;C#CC1(C=O)C=NN=C1;QRULYTUWKCNWEQ-UHFFFAOYSA-N;120.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202603;MM202603;C#CC1(C#N)C=NN=C1;IOIJOLWLBJZFDO-UHFFFAOYSA-N;117.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202604;MM202604;C#CC1(C#C)C=CC=C1;BOILFNZYMJOQAU-UHFFFAOYSA-N;114.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202605;MM202605;C#CC1(C#C)C=NN=C1;BBSFYWAHXOPAFY-UHFFFAOYSA-N;116.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202606;MM202606;CCC(C)C1(CC)CC1;JMCUDZCQGXQAGN-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202607;MM202607;CCC1(C(C)CN)CC1;PSCDXYMBRWGJJJ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202608;MM202608;CC#CC(CO)ON=CC;AIUIZBBCGDHLEB-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202609;MM202609;CC(CO)C1(CN)CC1;WICFPHVJTMIZEC-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202610;MM202610;CCC1(C(N)CF)CC1;ZEQWRZYVGFVKMU-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202611;MM202611;CCC1(C(C)NC)CC1;VSJHXJUYIFHATQ-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202612;MM202612;CNC(C)C1(CN)CC1;AVNWBCLFFVSCGY-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202613;MM202613;CNC(C)C1(CO)CC1;MSUQAGYBAHEBBD-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202614;MM202614;COC(C)C1(CN)CC1;RRNVZYSVYZZRJO-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202615;MM202615;COC(C)C1(CO)CC1;FRXMTIOIFDKNSS-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202616;MM202616;CNC1(C(C)CN)CC1;HUJWYTJIETWTLH-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202617;MM202617;CNC1(C(C)CO)CC1;BDQSDBBZCSQFOM-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202618;MM202618;CNC1(C(C)CF)CC1;XYQUUOKPTWNHRO-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202619;MM202619;CCC1(C(C)CN)CN1;TZELHPNWUSTDSK-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202620;MM202620;CNC(C)C1(CO)CN1;PIPRCNCMGTVWJQ-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202621;MM202621;CNC(C)C1(CN)CO1;UURIEGVVPMPIOA-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202622;MM202622;C=CC(C)C1(CC)CC1;MFGJTPVOOITMJH-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202623;MM202623;CCC1(C(C)C=O)CC1;LFCGAGCGHBKORR-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202624;MM202624;CCC1(C(C)C#N)CC1;YITGEHZMOTYAMY-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202625;MM202625;C=CC(C)C1(CN)CC1;QGZOZQJETVKLEF-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202626;MM202626;C=CC(N)C1(CC)CC1;QCVRCYCJIBFGMQ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202627;MM202627;C=NOC(C#CCC)CO;MYAPTSPKXCEDCC-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202628;MM202628;CCC1(C(O)C=O)CC1;FZWOUJIQSWVVOK-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202629;MM202629;CCC1(C(O)C#N)CC1;KBHLWNOYFAQEPR-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202630;MM202630;C=CC(F)C1(CC)CC1;UAYMUPCJYWUELX-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202631;MM202631;CCC1(C(F)C#N)CC1;OTCZUCWSPBXBCM-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202632;MM202632;C=CC(C)C1(NC)CC1;UTHUMHKHJSJGQB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202633;MM202633;CNC1(C(F)C#N)CC1;YGOIKHOOSYTZKF-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202634;MM202634;COC1(C(O)C#N)CC1;HWHLAJWAYXIMAV-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202635;MM202635;COC1(C(F)C#N)CC1;UTKWPWFWVULLAF-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202636;MM202636;C=NN(C)C1(CN)CC1;IXLBHWKPDGKMIR-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202637;MM202637;CCC1(C(C)C#N)CN1;GTMSHCKGNGZFRG-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202638;MM202638;CCN=C(CO)NOC=O;QUXAPAWTBSZHAY-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202639;MM202639;C=NN=C(CO)NCCF;VTTQXWAVAXGWRC-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202640;MM202640;CCC1(C(F)C#N)CN1;QBPCPUDDUDQCQF-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202641;MM202641;CC(=O)C(=CF)N(O)C=N;ANDUIGSHRIXOKQ-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202642;MM202642;CCC1(C(O)C#N)CO1;URQLNBCRUZFFFE-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202643;MM202643;CCC1(C(F)C#N)CO1;FVMDAKDPMKFBIJ-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202644;MM202644;C#CC(C)C1(CC)CC1;MTJLACYYRLAMEI-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202645;MM202645;C#CC(C)C1(CN)CC1;FVDKFYXWFVHKAS-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202646;MM202646;C#CC(N)C1(CC)CC1;CZKXOMUWEFHIIA-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202647;MM202647;C#CC(N)C1(CN)CC1;XWDZGXCMXMMVAO-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202648;MM202648;C#CC(O)C1(CC)CC1;RTNHSCZHRHPDTJ-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202649;MM202649;C#CC(O)C1(CO)CC1;XNPXOOWHPDYTBA-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202650;MM202650;C#CC(F)C1(CC)CC1;DKNBXWZKVAFRAR-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202651;MM202651;C#CC(F)C1(CN)CC1;XICREPQGCGQUER-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202652;MM202652;C#CC(C)C1(NC)CC1;UKTNUQINOQWRAU-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202653;MM202653;C#CC(O)C1(OC)CC1;VKZAZBBFEBJBHN-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202654;MM202654;C#CC(F)C1(OC)CC1;UYWQKQBIFLUMAC-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202655;MM202655;C#CC(O)C1(CN)CN1;QFDVAAXTHOQHHG-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202656;MM202656;Cn1ccn(O)c(=N)c1=O;VXDDOXUPINGHCD-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202657;MM202657;C#CC(F)C1(CC)CN1;CAFNLZYHGAAWGW-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202658;MM202658;C#CC(F)C1(CN)CN1;FIGYISIZSRJRTD-UHFFFAOYSA-N;128.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202659;MM202659;N=c1c(=O)n(N)ccn1O;JEKRHSLEIJNYFF-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202660;MM202660;C#CC(O)C1(CC)CO1;JXTQJIRSGXYGEY-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202661;MM202661;C#CC(F)C1(CC)CO1;YHMVWXCHWWOCND-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202662;MM202662;C=CC1(C(C)CN)CC1;TWXRLUSTYGEEDR-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202663;MM202663;C=CC1(C(C)CF)CC1;PFPBBPZVSGGKCK-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202664;MM202664;CC(CO)C1(C#N)CC1;BVSJYEQPNKNRDX-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202665;MM202665;CC(CF)C1(C#N)CC1;MVAFDADPUIFQQF-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202666;MM202666;C=CC1(C(N)CC)CC1;LIADGDOJRXECTI-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202667;MM202667;C=CC1(C(N)CN)CC1;QBZMTSLOOAERIA-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202668;MM202668;C=CC1(C(N)CO)CC1;WWLIRODIDWRCBY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202669;MM202669;C=CC1(C(N)CF)CC1;DWSLEWNDUKIBGF-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202670;MM202670;N#CC1(C(O)CO)CC1;DVCMCRAAXGBTBU-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202671;MM202671;C=CC1(C(C)NC)CC1;JTSDBMAKRIJRKT-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202672;MM202672;CNC(C)C1(C=O)CC1;DMYVHPBQSYJMOX-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202673;MM202673;C=CC1(C(C)OC)CC1;TZSLBHRJGQORDH-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202674;MM202674;C=CC1(N(C)CC)CC1;PPLWLRKNOYPINO-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202675;MM202675;C=CC1(C(C)CN)CN1;YVXFXQWRNZBQSK-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202676;MM202676;C=CC1(C(N)CC)CN1;JUSXECMKUXEWHL-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202677;MM202677;C=CC1(C(C)NC)CN1;IPOWHFGLVCOMOU-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202678;MM202678;C=CC(C)C1(C=C)CC1;HQFPSPSIKBDUQT-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202679;MM202679;C=CC1(C(C)C=O)CC1;CLUAIBCWZORCSE-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202680;MM202680;C=CC1(C(C)C#N)CC1;DSIVSMJQJLBTDY-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202681;MM202681;C=CC(C)C1(C#N)CC1;ILVDZRGWILMEJN-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202682;MM202682;CC(C=O)C1(C=O)CC1;UKBCIXNTEMKOKT-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202683;MM202683;CC(C#N)C1(C=O)CC1;IUAOVNODEMYHBJ-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202684;MM202684;CC(C=O)C1(C#N)CC1;HTKCZHFLGBGCLG-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202685;MM202685;CC(C#N)C1(C#N)CC1;QPAGEJBQYLSWTG-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202686;MM202686;C=CC(N)C1(C=C)CC1;CMFGKUBFPVLMRP-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202687;MM202687;C=CC1(C(O)C#N)CC1;ZXNXCQQYVCHPAE-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202688;MM202688;C=CC(O)C1(C#N)CC1;AROWALXHHGFLLM-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202689;MM202689;N#CC(O)C1(C=O)CC1;MDJCTLVWWOOJAF-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202690;MM202690;N#CC(O)C1(C#N)CC1;QEAWNLLPHJFGRO-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202691;MM202691;C=CC1(C(F)C=O)CC1;UWRQJBOHJUEGPR-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202692;MM202692;C=CC1(C(F)C#N)CC1;UIXREFDWRNXTTL-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202693;MM202693;C=CC(F)C1(C=O)CC1;WNDZFUIVLPSELB-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202694;MM202694;C=CC(F)C1(C#N)CC1;FZIJYLNHVIIKBU-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202695;MM202695;O=CC(F)C1(C=O)CC1;PDEOQVZFBZFRQC-UHFFFAOYSA-N;130.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202696;MM202696;N#CC(F)C1(C=O)CC1;VOMOFKQYXXAKPD-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202697;MM202697;N#CC1(C(F)C=O)CC1;MMKWGKKHKAKKQT-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202698;MM202698;N#CC(F)C1(C#N)CC1;TZAUJCFPXBWMBI-UHFFFAOYSA-N;124.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202699;MM202699;C=CC1(N(C)C=N)CC1;MNPBPWJVMSNWDA-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202700;MM202700;C=CC1(N(N)C=N)CC1;NODPKWLGNDYOAC-UHFFFAOYSA-N;125.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202701;MM202701;C=CC1(N(C)N=C)CC1;PLMQLZFTLVGYLD-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202702;MM202702;C=NN(C)C1(C#N)CC1;IHWUPIQGDXLUAS-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202703;MM202703;C=CC1(C(C)C#N)CN1;KTYPDBCNMPPCKI-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202704;MM202704;CC1C(CC(F)C=O)N1C;CVCYMPPSSJEIES-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202705;MM202705;CC(C#N)C1(C#N)CN1;LLBGXGJEWYFXKA-UHFFFAOYSA-N;121.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202706;MM202706;Cn1cnc(=N)nc1CO;IVAZNSKELYAFFQ-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202707;MM202707;N#CC(O)C1(C=O)CN1;DKAXACVVTXFBAX-UHFFFAOYSA-N;126.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202708;MM202708;N#CC(O)C1(C#N)CN1;IZVBATLPHHUUFE-UHFFFAOYSA-N;123.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202709;MM202709;C=CC(F)C1(C=C)CN1;HKBJZOYEZHBINO-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202710;MM202710;CN=C(CO)N(C=O)NC;ZVCAVSVWTPFWRA-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202711;MM202711;C=CC1(C(F)C#N)CN1;KSWGMWARFFDPDA-UHFFFAOYSA-N;126.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202712;MM202712;CCC=NN=C(CO)NC;KCPHLGGBKPXERW-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202713;MM202713;CNC(CO)=NN=COC;KHRZGARODMDIEB-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202714;MM202714;CC(C#N)C1(C#N)CO1;OCFKAPLCQIXVJS-UHFFFAOYSA-N;122.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202715;MM202715;C=CC1(C(O)C#N)CO1;FQNAWFGYTGWXKM-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202716;MM202716;N#CC(O)C1(C#N)CO1;FFDPUBDNEFRSFF-UHFFFAOYSA-N;124.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202717;MM202717;C=CC1(C(F)C#N)CO1;IXIHNKGIAAZDBO-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202718;MM202718;N#CC(F)C1(C#N)CO1;MNKYPYOUCSTZBZ-UHFFFAOYSA-N;126.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202719;MM202719;C#CC(C)C1(C=C)CC1;QUMAJAXMWQJESD-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202720;MM202720;C#CC(C)C1(C=O)CC1;HJKLQSADTPUPJK-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202721;MM202721;C#CC(C)C1(C#N)CC1;VROUHRMGJAPDBB-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202722;MM202722;C#CC(N)C1(C=C)CC1;QGXJGIWGRYLWSS-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202723;MM202723;C#CC(O)C1(C=C)CC1;QPZQOTBHJCVEAU-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202724;MM202724;C#CC(O)C1(C=O)CC1;MCNJTJAJQKBBRX-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202725;MM202725;C#CC(O)C1(C#N)CC1;MNQZTGXJYYUDOQ-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202726;MM202726;C#CC(F)C1(C=C)CC1;NPWCWMBHPADXBO-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202727;MM202727;C#CC(F)C1(C=O)CC1;KRCPNTDYHZKQNO-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202728;MM202728;C#CC(F)C1(C#N)CC1;SSUNAIRNKLEZER-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202729;MM202729;C#CC(C)C1(C#N)CN1;YJSKCGXNLVOMJH-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202730;MM202730;C#CC(N)C1(C=C)CN1;NMVVUQSXSUBOLT-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202731;MM202731;CN=CN(O)C(C=O)=CF;KQBGQGDBAVVVIA-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202732;MM202732;C#CC(O)C1(C#N)CN1;GBLDBJIOXZKFJV-UHFFFAOYSA-N;122.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202733;MM202733;C#CC(F)C1(C=C)CN1;TXFLVMFOJFCJSI-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202734;MM202734;CC=NOCC1(CO)CO1;FHKXYZYQRSHLNS-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202735;MM202735;C#CC(C)C1(C#N)CO1;ILJGOAWAPXWQPD-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202736;MM202736;C#CC(O)C1(C#N)CO1;FGOXNICJBMQGPY-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202737;MM202737;C#CC(F)C1(C=C)CO1;FAALRQHLCOODOB-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202738;MM202738;C#CC(F)C1(C#N)CO1;HNWVGZRVJJTGAC-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202739;MM202739;C#CC1(C(C)CN)CC1;HHQKSUZPPZWVTQ-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202740;MM202740;CN=c1c(N)cn(O)n1N;IBXAHZMDXBFRCL-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202741;MM202741;C#CC1(C(C)CF)CC1;YQLBATOFGJGOID-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202742;MM202742;C#CC1(C(N)CO)CC1;YCBFPZDTSGBXHV-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202743;MM202743;C#CC1(C(N)CF)CC1;KKUHPZJKHAPBCP-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202744;MM202744;N=c1c(=NN)occn1O;PJYWHMBDRJEVBX-UHFFFAOYSA-N;142.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202745;MM202745;C#CC1(C(C)NC)CC1;LCTPKZWLRCIEBK-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202746;MM202746;C#CC1(C(C)OC)CC1;STQOAPLHYDQWKG-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202747;MM202747;C#CC1(N(C)CC)CC1;DPDQYQUJPUNHFU-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202748;MM202748;C#CC1(C(C)CC)CN1;YOUBLSPZJTYEKJ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202749;MM202749;C#CC1(C(C)CN)CN1;SHRZLYZUIPARPV-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202750;MM202750;C#CC1(C(C)CF)CN1;BVRRRLKWRSDUHH-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202751;MM202751;C#CC1(C(N)CN)CN1;BBKMYCJUUZCUSU-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202752;MM202752;C#CC1(C(C)NC)CN1;AKFRGMHJZJNJNJ-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202753;MM202753;C#CC1(C(C)NC)CO1;XGGQTVSWNQQDPW-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202754;MM202754;C#CC1(C(C)C=C)CC1;CEYBKNNVEGOIDF-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202755;MM202755;C#CC1(C(C)C=O)CC1;HILXHFONDATVQC-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202756;MM202756;C#CC1(C(C)C#N)CC1;RLRLAWZFYAUTMW-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202757;MM202757;C#CC1(C(N)C=C)CC1;NUILZULKVYDNHA-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202758;MM202758;CC=CC1NC(CO)C1=O;ILNJVGWIDGQDSN-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202759;MM202759;C#CC1(C(O)C#N)CC1;VRSVRJJQJDIMAF-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202760;MM202760;C#CC1(C(F)C#N)CC1;CRRPLCOJMUQNBM-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202761;MM202761;C#CC1(N(C)C=N)CC1;UGDVWGMSHFTGEO-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202762;MM202762;C#CC1(N(C)N=C)CC1;CGMURZLJTLMUOZ-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202763;MM202763;C#CC1(C(C)C=C)CN1;FJTWRUYPJCKTSD-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202764;MM202764;O=CC1=NNC(CO)=NC1;ARJNMVBLTWNEBX-UHFFFAOYSA-N;141.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202765;MM202765;C#CC1(C(C)C#N)CN1;BLMMYXSJPIKIPP-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202766;MM202766;C#CC1(C(N)C=C)CN1;RVJFDSZDUPEHAI-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202767;MM202767;C#CC1(C(O)C#N)CN1;UDLMLFQGNHUUJF-UHFFFAOYSA-N;122.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202768;MM202768;C#CC1(C(F)C#N)CN1;ZZDQKKNZVIURRW-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202769;MM202769;C#CC1(C(C)C=O)CO1;OCICMOCORLRLTN-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202770;MM202770;C#CC1(C(C)C#N)CO1;UVZMXCWKUBXNOA-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202771;MM202771;C#CC1(C(O)C#N)CO1;IDAOSELQTSARTL-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202772;MM202772;C#CC1(C(F)C#N)CO1;XFXOUXBWXWIDDQ-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202773;MM202773;C#CC(C)C1(C#C)CC1;UJDPTAJVELEMNB-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202774;MM202774;C#CC(N)C1(C#C)CC1;YFMMALOTSSGWAQ-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202775;MM202775;C#CC(O)C1(C#C)CC1;NNHGVCCUIBEUIO-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202776;MM202776;C#CC(F)C1(C#C)CC1;ILAIMOALUHTHRF-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202777;MM202777;C#CC(C)C1(C#C)CN1;FBRJTIGCSUCEJG-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202778;MM202778;NN=C1C=CC2(CO)OC12;OZPHZFDPZOLMOS-UHFFFAOYSA-N;140.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202779;MM202779;C=NOC1CC1(C)O;OWVSRBFWUWZWCY-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202780;MM202780;C#CC(C)C1(C#C)CO1;VVXKIWRVJMMNCS-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202781;MM202781;C#CC(O)C1(C#C)CO1;KFFNKTNWLOYMBG-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202782;MM202782;C#CC(F)C1(C#C)CO1;IDAXBWQZVJVJSY-UHFFFAOYSA-N;124.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202783;MM202783;CCCCC1(CC)CC1;SJGHIVDXCALHCH-UHFFFAOYSA-N;126.24;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202784;MM202784;CCC1(CCCN)CC1;ZZMVUPGRFSTRKC-UHFFFAOYSA-N;127.23;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202785;MM202785;CCC1(CCCO)CC1;OXEFXHNBESCZDI-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202786;MM202786;CCC1(CCCF)CC1;MLCJPGWPABMWCY-UHFFFAOYSA-N;130.21;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202787;MM202787;CCCCC1(CN)CC1;ORTKEZKESGTDKH-UHFFFAOYSA-N;127.23;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202788;MM202788;NCCCC1(CN)CC1;FWAPRKHILAMKLN-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202789;MM202789;NCC1(CCCO)CC1;ORQVVESXUJPGHQ-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202790;MM202790;NCC1(CCCF)CC1;OFWYTRLAJJNYFP-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202791;MM202791;N=C(CO)N(N)C=O;YPMSXTJTYZIUOS-UHFFFAOYSA-N;117.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202792;MM202792;NCCCC1(CO)CC1;LGMXLWCENANXPB-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202793;MM202793;C#CCc1cc[nH]n1;ILCLBLFFSMNLOT-UHFFFAOYSA-N;106.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202794;MM202794;CCCCC1(CF)CC1;BBSIEUZFKYPLIA-UHFFFAOYSA-N;130.21;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202795;MM202795;NCCCC1(CF)CC1;PMBXQRFDORUMAM-UHFFFAOYSA-N;131.19;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202796;MM202796;FCCCC1(CF)CC1;JDADISQDPRHTGZ-UHFFFAOYSA-N;134.17;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202797;MM202797;CCC1(CCNC)CC1;GKBJCLXLLULUAF-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202798;MM202798;CNCCC1(CN)CC1;ZUBZGZCLRHVPRD-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202799;MM202799;CNCCC1(CO)CC1;AMKUTWGAWBGUBC-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202800;MM202800;CNCCC1(CF)CC1;OIKPHLKPHKLEJC-UHFFFAOYSA-N;131.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202801;MM202801;CCC1(CCOC)CC1;BBINBDHUFMMGGE-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202802;MM202802;COCCC1(CN)CC1;KVVDXAXWEQPPIN-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202803;MM202803;COCCC1(CO)CC1;OGVLFFIKXXHPBG-UHFFFAOYSA-N;130.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202804;MM202804;COCCC1(CF)CC1;LNYRSMGJESTSMQ-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202805;MM202805;CCNCC1(CC)CC1;LXEZSXXDTJZEKU-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202806;MM202806;CCNCC1(CN)CC1;CVRKHJSKMXBPMG-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202807;MM202807;CCNCC1(CO)CC1;ZZGAJLDPQBTNGS-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202808;MM202808;CCNCC1(CF)CC1;ZYDRNCREHIHKDU-UHFFFAOYSA-N;131.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202809;MM202809;CCOCC1(CC)CC1;NFEFSCDLAVRBCD-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202810;MM202810;CCOCC1(CN)CC1;ROAVXRSMSAODPL-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202811;MM202811;CCOCC1(CO)CC1;OLBBZPNLDSOVAO-UHFFFAOYSA-N;130.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202812;MM202812;CCOCC1(CF)CC1;HALIVFAWXGVGIL-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202813;MM202813;CCCCC1(NC)CC1;HRADDRKLBHSELR-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202814;MM202814;CNC1(CCCN)CC1;DBPOPIPGKHTRQZ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202815;MM202815;CNC1(CCCO)CC1;NJQCYVYDZJHDQM-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202816;MM202816;CNC1(CCCF)CC1;SAZRPNQPVZYDFN-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202817;MM202817;CNCCC1(NC)CC1;CPXSSJNJKARXDH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202818;MM202818;CNC1(CCOC)CC1;DXRQUXVJDCTVBT-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202819;MM202819;CCNCC1(NC)CC1;KKMZJHZLACOUOG-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202820;MM202820;CCOCC1(NC)CC1;APFBOMXODRHVGS-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202821;MM202821;CCCCC1(OC)CC1;RZYANCFNJVJOOW-UHFFFAOYSA-N;128.22;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202822;MM202822;COC1(CCCN)CC1;SVYRLNLJONSSJF-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202823;MM202823;COC1(CCCO)CC1;CGECOMCTUJFMNN-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202824;MM202824;COC1(CCCF)CC1;GUHATGQKSSCHEW-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202825;MM202825;CNCCC1(OC)CC1;UCHKRPDMUVCBFI-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202826;MM202826;COCCC1(OC)CC1;NQEVWNTWZCFQIQ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202827;MM202827;CCNCC1(OC)CC1;NLDVTZAUQIGQIT-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202828;MM202828;CCOCC1(OC)CC1;OZOWFZHUBWQNIT-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202829;MM202829;CCCNC1(CC)CC1;OGXMKZYBHZMALV-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202830;MM202830;CCC1(NCCN)CC1;ACLVHJCSCLGXLV-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202831;MM202831;CCC1(NCCO)CC1;WXGSYHDWSDXOFV-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202832;MM202832;CCC1(NCCF)CC1;CWXPSZWYLWTNPU-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202833;MM202833;CCCNC1(CN)CC1;JEWZQXRLMWOVQL-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202834;MM202834;NCCNC1(CN)CC1;VELXISCLIKPVHI-UHFFFAOYSA-N;129.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202835;MM202835;NCC1(NCCO)CC1;SYAZSXLQDMAERT-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202836;MM202836;NCC1(NCCF)CC1;BYNQTDZGHAVMNG-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202837;MM202837;CCCNC1(CO)CC1;IOBQXZGAPHJHFS-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202838;MM202838;NCCNC1(CO)CC1;FPEWGVXHNVBUMR-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202839;MM202839;OCCNC1(CO)CC1;FEZZNLBGPUMCOI-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202840;MM202840;CCCNC1(CF)CC1;ATDNATVAOFTZOF-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202841;MM202841;CCCOC1(CC)CC1;ABOWQXPZSMTKJH-UHFFFAOYSA-N;128.22;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202842;MM202842;CCC1(OCCN)CC1;NBKXAAKDQQQMOH-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202843;MM202843;CCC1(OCCO)CC1;ZWJZKAIIQVZGOE-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202844;MM202844;CCC1(OCCF)CC1;JSTXESRQOKEUSB-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202845;MM202845;CCCOC1(CN)CC1;WXZITGMQWNSRNI-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202846;MM202846;NCCOC1(CN)CC1;GBGHYIQCHUUCIS-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202847;MM202847;NCC1(OCCO)CC1;OEYCOYCTGISJQN-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202848;MM202848;NCC1(OCCF)CC1;BTCIEXAXAGUHOH-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202849;MM202849;CCCOC1(CO)CC1;JMDXUWDHPBTAEW-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202850;MM202850;NCCOC1(CO)CC1;OSVHUSHBXONVGG-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202851;MM202851;OCCOC1(CO)CC1;HSIXVBWTBSTXDS-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202852;MM202852;OCC1(OCCF)CC1;XTAGGPQQYRIGRE-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202853;MM202853;CCCOC1(CF)CC1;BARQSIVGBXBGNZ-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202854;MM202854;NCCOC1(CF)CC1;NYQVIVNCPNGKQJ-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202855;MM202855;OCCOC1(CF)CC1;NGFCNJAOKRYTMY-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202856;MM202856;FCCOC1(CF)CC1;BUVBZEQRFGKQAB-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202857;MM202857;CCC1(OCOC)CC1;RYJRWXUPQYIHPF-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202858;MM202858;COCOC1(CN)CC1;VILOQGKIGFSUBE-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202859;MM202859;COCOC1(CO)CC1;FMCBHLKPOVDUAS-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202860;MM202860;CCCOC1(OC)CC1;KATYIJSKDDPZTB-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202861;MM202861;COC1(OCCN)CC1;GDNFPVUILJQIJL-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202862;MM202862;COC1(OCCO)CC1;FMXPARSIZCZDKM-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202863;MM202863;COC1(OCCF)CC1;YFTJGVXUMQUGSB-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202864;MM202864;COCOC1(OC)CC1;AVJZEQAXFIEEOP-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202865;MM202865;CCC1(CCCN)CN1;GYSAKSVZUZRMDG-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202866;MM202866;CCCCC1(CN)CN1;WCRRJVLKHKJBJB-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202867;MM202867;NCCCC1(CN)CN1;MJCSXNIWORSCGM-UHFFFAOYSA-N;129.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202868;MM202868;NCC1(CCCO)CN1;JGQZZIQKJMJWTK-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202869;MM202869;NCC1(CCCF)CN1;ADRGZMZPEBFNDD-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202870;MM202870;NCCCC1(CO)CN1;FCJDXLABAXWHNY-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202871;MM202871;CCCCC1(CF)CN1;DWXFTJZRQWKIQG-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202872;MM202872;NCCCC1(CF)CN1;IHNQJFYSIBQRIK-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202873;MM202873;CCC1(CCNC)CN1;CQIKTIOWGIVNEB-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202874;MM202874;CNCCC1(CN)CN1;GJZSJLVSZPDLFJ-UHFFFAOYSA-N;129.21;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202875;MM202875;CNCCC1(CO)CN1;RWEYMBQCOVWNIT-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202876;MM202876;CNCCC1(CF)CN1;GBWGBJAALFRXTF-UHFFFAOYSA-N;132.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202877;MM202877;COCCC1(CN)CN1;PXIUBTKJGIKFNQ-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202878;MM202878;CCNCC1(CC)CN1;AOPXURDHNCEKSL-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202879;MM202879;CCNCC1(CN)CN1;BOSBBOJNPWOSJQ-UHFFFAOYSA-N;129.21;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202880;MM202880;CCNCC1(CO)CN1;XVYKENZQTYELSQ-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202881;MM202881;CCNCC1(CF)CN1;XRNNJIKNICMGNI-UHFFFAOYSA-N;132.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202882;MM202882;CCOCC1(CN)CN1;QRMGKYSBNBTVPF-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202883;MM202883;C=CCC=NOC(N)=O;ZNMGBOYLLKTQRL-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202884;MM202884;CCOCC1(CF)CN1;VHPVMYAECQJQLD-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202885;MM202885;CCCCC1(CC)CO1;UKISJAFVMIUTPT-UHFFFAOYSA-N;128.22;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202886;MM202886;CCC1(CCCN)CO1;GWQXBZMTJUSBNZ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202887;MM202887;CCC1(CCCO)CO1;QTPXATQQZKPPHF-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202888;MM202888;CCC1(CCCF)CO1;NIJLUIWRMSVITL-UHFFFAOYSA-N;132.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202889;MM202889;CCCCC1(CN)CO1;HWYGFCCRVUSFIZ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202890;MM202890;NCCCC1(CN)CO1;YSSHATAPRJQRSK-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202891;MM202891;NCC1(CCCO)CO1;BVWMRKWYWVGREU-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202892;MM202892;NCC1(CCCF)CO1;QJXMDFNVRQZUJE-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202893;MM202893;CCCCC1(CO)CO1;FVYYJQIMZLFLGV-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202894;MM202894;NCCCC1(CO)CO1;IWLIBTAZAOOMQZ-UHFFFAOYSA-N;131.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202895;MM202895;OCCCC1(CO)CO1;VWGNJZJJEVWBPR-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202896;MM202896;OCC1(CCCF)CO1;QFSVUTUTVGCDHV-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202897;MM202897;FCCCC1(CF)CO1;LPLKKFDUGAEIHE-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202898;MM202898;CCC1(CCNC)CO1;AYWBXRPHCQJYDL-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202899;MM202899;CNCCC1(CN)CO1;NPIJETJJTSVMNF-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202900;MM202900;CNCCC1(CO)CO1;CXNXUHAQKHGCPO-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202901;MM202901;CCC1(CCOC)CO1;DUNRNUSWDALBTO-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202902;MM202902;COCCC1(CN)CO1;RFNOSTZXTUOPRI-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202903;MM202903;CCNCC1(CC)CO1;FWRHBDQFNRQXIR-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202904;MM202904;CCNCC1(CN)CO1;NXIOCDVTDZROJN-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202905;MM202905;CCNCC1(CO)CO1;VTOPIORCYWKFEN-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202906;MM202906;CCOCC1(CC)CO1;HXDIKRATDOOTBV-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202907;MM202907;CCOCC1(CN)CO1;QOMTZHGTPWHWBK-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202908;MM202908;CCOCC1(CF)CO1;ADZQBUFYVYSFJN-UHFFFAOYSA-N;134.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202909;MM202909;C=CCCC1(CC)CC1;QXKINLLCJZEGJC-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202910;MM202910;CCC1(CCC=O)CC1;GFIJIYNHTSYSBZ-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202911;MM202911;CCC1(CCC#N)CC1;MVNSGMCKOABRRY-UHFFFAOYSA-N;123.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202912;MM202912;C=CCCC1(CN)CC1;LFAAMRIGKKGMJA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202913;MM202913;CC=NOC1CC1(C)O;IJDUTFHDYWAAIC-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202914;MM202914;CC(=O)N(N)C(=N)CO;RTVVPTXTZYCRAI-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202915;MM202915;N#CCN(O)C(=N)C=O;TXULHYVCFUYSOV-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202916;MM202916;C=CCCC1(CF)CC1;YHYUJLJQCIUQRE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202917;MM202917;O=CCCC1(CF)CC1;NXSDBODEFODCDK-UHFFFAOYSA-N;130.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202918;MM202918;N#CCCC1(CF)CC1;MRSYEMCCKHGXRD-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202919;MM202919;CCC1(CNC=N)CC1;NGWGGKODUUAURT-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202920;MM202920;CC=NN(C)C(=N)CO;IOWVJQQJVAGYQL-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202921;MM202921;N=CNCC1(CN)CC1;QVAJBKOFONIMSC-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202922;MM202922;NCC1(CNC=O)CC1;RSRJQUIIAHMEGX-UHFFFAOYSA-N;128.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202923;MM202923;N=CNCC1(CO)CC1;XHVWEBUCMGXKEB-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202924;MM202924;O=CNCC1(CO)CC1;ADSJSMLRFLIINV-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202925;MM202925;N=CNCC1(CF)CC1;SRJIDIYCRVKCFW-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202926;MM202926;CC(O)C(C=NN)=NN;SNOMGRGUSAPOOU-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202927;MM202927;C=NNCC1(CC)CC1;JLEMCLAKSRQXIX-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202928;MM202928;C=NNCC1(CN)CC1;KISWZTRERCSWHL-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202929;MM202929;Cc1cc(N)c(O)n1N;QUWVZRFFHNEIND-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202930;MM202930;C=NNCC1(CF)CC1;ABBOCXCBFZZMJU-UHFFFAOYSA-N;130.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202931;MM202931;C=COCC1(CC)CC1;MTSYTXRGZXCXGR-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202932;MM202932;CCC1(COC=O)CC1;MTEYXKXPFGXULB-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202933;MM202933;C=COCC1(CN)CC1;IJZRULRQZCBVSV-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202934;MM202934;NCC1(COC=O)CC1;YGWULIYXIQLIOR-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202935;MM202935;C=COCC1(CO)CC1;SXHWSKCEZIBYON-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202936;MM202936;O=COCC1(CO)CC1;JWNYKEIIBWDYOR-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202937;MM202937;C=COCC1(CF)CC1;SDUOQIFHYQGLOI-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202938;MM202938;O=COCC1(CF)CC1;CEWLWMMFXSUILV-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202939;MM202939;C=NOCC1(CC)CC1;ROKGSDXUQVELAB-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202940;MM202940;C=NOCC1(CN)CC1;UMIXAXMJJNTGHZ-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202941;MM202941;CN1CC1CC(O)CO;MGQJEHDDXNDMIN-UHFFFAOYSA-N;131.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202942;MM202942;C=NOCC1(CF)CC1;YQTZHGKQDCPERG-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202943;MM202943;C=CCCC1(NC)CC1;YSGDANKFHMKQML-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202944;MM202944;CNC1(CCC=O)CC1;OYEFTVKKKWTUDZ-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202945;MM202945;CNC1(CCC#N)CC1;GAUSWPXSLLCQRV-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202946;MM202946;CNC1(CNC=N)CC1;XQCRRMWRACOZFS-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202947;MM202947;CNC1(CNC=O)CC1;NSRPDAKQLRUDMK-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202948;MM202948;C=NNCC1(NC)CC1;VBWZOCSVYUTRAN-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202949;MM202949;C=COCC1(NC)CC1;OMCLFWPDUOYVGQ-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202950;MM202950;CNC1(COC=O)CC1;DJCHJMXMDSFDGI-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202951;MM202951;C=NOCC1(NC)CC1;XPOKIOKBGDLXFS-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202952;MM202952;C=CCCC1(OC)CC1;UMLBHFXWPWWPCY-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202953;MM202953;COC1(CCC=O)CC1;YRTHUIVYSYSCDV-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202954;MM202954;COC1(CCC#N)CC1;BAESCQRIYFZONJ-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202955;MM202955;COC1(CNC=N)CC1;KIIMXRFYWIMBEW-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202956;MM202956;Cc1[nH]c(N=O)cc1N;HNGYXZPMCZSQGJ-UHFFFAOYSA-N;125.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202957;MM202957;C=NNCC1(OC)CC1;OAVLRAMXSRDELG-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202958;MM202958;C=COCC1(OC)CC1;NYYOLIOWTNYVPF-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202959;MM202959;COC1(COC=O)CC1;CMTQVXZHBUDVGP-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202960;MM202960;C=NOCC1(OC)CC1;DODCJTYUFCGVMH-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202961;MM202961;C=CCNC1(CC)CC1;TUPGRXIEVIQBRX-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202962;MM202962;CCC1(NCC=O)CC1;GRMHCJWZIADEDS-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P5";;;;;;;0.59;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202963;MM202963;CCC1(NCC#N)CC1;YQXVWWDBDDFZPN-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202964;MM202964;C=CCNC1(CN)CC1;SEKVHQPMDVQGRK-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202965;MM202965;C=CCNC1(CO)CC1;UEJZUBJPFUYDPY-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202966;MM202966;CCCc1coc(N)n1;ICFXFBRMEVJSDF-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202967;MM202967;N#CCNC1(CF)CC1;XZEZJVLVTHYQAT-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202968;MM202968;CCC1(NNC=N)CC1;PKRMPZQFVAHJSU-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202969;MM202969;CC#Cc1cc(N)[nH]n1;RKNDHMPIQLMUJK-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202970;MM202970;N=CNNC1(CN)CC1;WMKVJEPUJCTOON-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202971;MM202971;NCC1(NNC=O)CC1;YXVFMYLQYREQRE-UHFFFAOYSA-N;129.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202972;MM202972;N=CNNC1(CO)CC1;CEQQVQPYCCDLGC-UHFFFAOYSA-N;129.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202973;MM202973;CNN(C=O)C(=N)CO;LLFQRFHJAVERMX-UHFFFAOYSA-N;131.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202974;MM202974;N=CNNC1(CF)CC1;BRYDZWJMASOIAP-UHFFFAOYSA-N;131.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202975;MM202975;O=CNNC1(CF)CC1;HKKJTBFRQYTFHO-UHFFFAOYSA-N;132.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202976;MM202976;C=CCOC1(CC)CC1;TUDLEUVSXLGYIH-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202977;MM202977;CCC1(OCC=O)CC1;MVINFRBEARNUML-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202978;MM202978;CCC1(OCC#N)CC1;CJZLOEGPICKMJX-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202979;MM202979;C=CCOC1(CN)CC1;CABFFHLHMNKRER-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202980;MM202980;C=CCOC1(CO)CC1;OARDXAGDTWIGKQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202981;MM202981;O=CCOC1(CO)CC1;FTYHNJOOEXUMLM-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202982;MM202982;N#CCOC1(CO)CC1;XOUQXAKBKLZANE-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202983;MM202983;C=CCOC1(CF)CC1;PBIDVMGCGYSPCK-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202984;MM202984;CCC1(ONC=N)CC1;XWLWCERXTYIHEF-UHFFFAOYSA-N;128.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202985;MM202985;CCC1(ONC=O)CC1;JWHKIIZWYWFOAZ-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202986;MM202986;N=CNOC1(CN)CC1;BLNKNEULHIGQHW-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202987;MM202987;NCC1(ONC=O)CC1;UAQXLUAXGOMFIT-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202988;MM202988;N=CNOC1(CO)CC1;DSEWTTXYFZTZGK-UHFFFAOYSA-N;130.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202989;MM202989;O=CNOC1(CO)CC1;NUJWWBVANKTZEE-UHFFFAOYSA-N;131.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202990;MM202990;C=CCOC1(OC)CC1;JIAPTNWUHCMQJO-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202991;MM202991;COC1(OCC=O)CC1;QVLJJQSLMOFPMK-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202992;MM202992;COC1(OCC#N)CC1;OGSGSJORLWNHJL-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202993;MM202993;COC1(ONC=N)CC1;JYBRBUQDTCPMAI-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202994;MM202994;COC1(ONC=O)CC1;AFSJRTLNMMHQQM-UHFFFAOYSA-N;131.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202995;MM202995;C=CCCC1(CN)CN1;OPOXAJJQLHQNDQ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202996;MM202996;N=CN(O)C(=CF)CF;WNOJXXJNJRSSPY-UHFFFAOYSA-N;136.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202997;MM202997;N=CN(O)C(C=O)=CF;KYOLWLZJJJLRGU-UHFFFAOYSA-N;132.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202998;MM202998;N#CCCC1(CF)CN1;GAZNRVQAJFKBQZ-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM202999;MM202999;CCC1(CNC=N)CN1;LSTHVWRSPMJFBU-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203000;MM203000;N=CNCC1(CN)CN1;CCIOCQQXVRUFJT-UHFFFAOYSA-N;128.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203001;MM203001;NCC1(CNC=O)CN1;COUZCARLRRFEBB-UHFFFAOYSA-N;129.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203002;MM203002;O=CC1=NCC(O)CN1;IJWRTJVXSLLEBO-UHFFFAOYSA-N;128.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203003;MM203003;N=CNCC1(CF)CN1;ANKPYXVZIJULHF-UHFFFAOYSA-N;131.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203004;MM203004;C#CC=NOC1CC1(C)O;DXWIJIOAYNRNIK-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203005;MM203005;C=NNCC1(CN)CN1;NJFZEYCPUYATQO-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203006;MM203006;C=NNCC1(CF)CN1;JGAHFMPIHBXVJZ-UHFFFAOYSA-N;131.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203007;MM203007;C=COCC1(CN)CN1;ULPPNHYENWQZNF-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203008;MM203008;NCC1(COC=O)CN1;TVURRJAJHHKQMW-UHFFFAOYSA-N;130.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203009;MM203009;N#CCNCC(O)CC#N;CFXSZEINEGFXHJ-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203010;MM203010;N=C(OC=O)N(O)CCO;FTKITDKWCJPINH-UHFFFAOYSA-N;148.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203011;MM203011;C=COCC1(CF)CN1;BVODVLKZQUOGMB-UHFFFAOYSA-N;131.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203012;MM203012;O=COCC1(CF)CN1;KEDRXDWXFLBQHX-UHFFFAOYSA-N;133.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203013;MM203013;C=NOCC1(CC)CN1;CLMTUHIZUHHMSY-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203014;MM203014;C=NOCC1(CN)CN1;OLXMPYCLXVWZEE-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203015;MM203015;CON=C(C)N(O)CC#N;HYFJUSMVYLAXCH-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203016;MM203016;C=NOCC1(CF)CN1;WNPXWFKOPMCUFU-UHFFFAOYSA-N;132.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203017;MM203017;C=CCCC1(CC)CO1;MGLYAAKVZZBZFV-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203018;MM203018;CCC1(CCC=O)CO1;NWGLLCMCKWUVLS-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203019;MM203019;CCC1(CCC#N)CO1;MEWXZTPCHUZJJF-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203020;MM203020;C=CCCC1(CN)CO1;UAVGAJYAYXHQAN-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203021;MM203021;C=CCCC1(CO)CO1;WTSVIGWLNRWVPQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203022;MM203022;O=CCCC1(CO)CO1;DIBWBMWUWOWEOO-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203023;MM203023;O=CCCC1(CF)CO1;PBCKBQPGKOICQU-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203024;MM203024;N#CCCC1(CF)CO1;RQJGRSGVYDQCAA-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203025;MM203025;CCC1(CNC=N)CO1;YSXPHPHUBLAVIF-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203026;MM203026;C=C(C(N)=O)N(O)C=NC;ANHLRRUIPSPIJJ-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203027;MM203027;N=CNCC1(CN)CO1;LNNGWBHZESRHFY-UHFFFAOYSA-N;129.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203028;MM203028;NCC1(CNC=O)CO1;WHGUUBSVCZSZIR-UHFFFAOYSA-N;130.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203029;MM203029;N=CNCC1(CO)CO1;HCODGXCMSCPLLF-UHFFFAOYSA-N;130.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203030;MM203030;O=CNCC1(CF)CO1;SZTHMPHFEGIJDI-UHFFFAOYSA-N;133.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203031;MM203031;C=NNCC1(CC)CO1;LPYGQRIXVNYAMW-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203032;MM203032;C=NNCC1(CN)CO1;PQYMMLPAXYIAON-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203033;MM203033;C=COCC1(CC)CO1;ZUNHMRYVHGLINB-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203034;MM203034;CCC1(COC=O)CO1;IJTAONGTFSEFQG-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203035;MM203035;C=COCC1(CN)CO1;QIXIYZREAYVUMV-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203036;MM203036;NCC1(COC=O)CO1;HLBWBZBWLDWEFX-UHFFFAOYSA-N;131.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203037;MM203037;O=COCC1(CO)CO1;IBASVXWJPROPBU-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203038;MM203038;O=COCC1(CF)CO1;ZCXKDDCGTJWWMX-UHFFFAOYSA-N;134.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203039;MM203039;C=NOCC1(CC)CO1;CCLZSKJZIIMMBL-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203040;MM203040;C=NOCC1(CN)CO1;VYRLAKXWRSRAEQ-UHFFFAOYSA-N;130.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203041;MM203041;CON=C(CC#N)C(C)O;KVRGOEDIMDMMBC-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203042;MM203042;C#CCCC1(CC)CC1;GCMVBYYINJCVPY-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203043;MM203043;C#CCCC1(CN)CC1;VVGRATDCTZOHBH-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203044;MM203044;CC12CC(=O)N(N)C1C2O;ZBRKGWYRAPTLIF-UHFFFAOYSA-N;142.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203045;MM203045;C#CCCC1(NC)CC1;RWMRSVCFCJQEBV-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203046;MM203046;C#CCCC1(OC)CC1;WBURAJXMWYQCCQ-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203047;MM203047;C#CCNC1(CC)CC1;KBKMZTOSFBYUOK-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203048;MM203048;C#CCNC1(CN)CC1;LKPQVIGAQWGBEH-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203049;MM203049;C#CCNC1(CO)CC1;LNODPVFERJMCIF-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203050;MM203050;C#CCOC1(CC)CC1;WMCHASYBBILAIZ-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203051;MM203051;C#CCOC1(CN)CC1;TWTFVHYQAXTFPV-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203052;MM203052;C#CCOC1(CO)CC1;IZKCCQPWWMCOFT-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203053;MM203053;C#CCOC1(OC)CC1;KUOYLURUUBAVJR-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203054;MM203054;C#CCCC1(CN)CN1;CSGYZGYJGCWUCT-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203055;MM203055;C#CCCC1(CF)CN1;QSUGRKGSXWDUAZ-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203056;MM203056;C#CCCC1(CC)CO1;OJYPITJSIDRRPO-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203057;MM203057;C#CCCC1(CN)CO1;OKIOMBLEXCUSIQ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203058;MM203058;C#CCCC1(CO)CO1;RFKGERJXKOYAHE-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203059;MM203059;C=CC1(CCCC)CC1;KSURDCURRQOENN-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203060;MM203060;C=CC1(CCCN)CC1;YZPTXGNHDVVGNS-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203061;MM203061;C=CC1(CCCO)CC1;ATUOCTQDNAQUNZ-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203062;MM203062;C=CC1(CCCF)CC1;RLPZKPRRPGCCTE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203063;MM203063;CCCCC1(C=O)CC1;BCBHJAJFFZMFJR-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203064;MM203064;CCCCC1(C#N)CC1;RTOTZPDJGAGRCM-UHFFFAOYSA-N;123.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203065;MM203065;O=CC1(CCCO)CC1;WSODYLVHDNOMBL-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203066;MM203066;N#CC1(CCCO)CC1;SLOUVJPTBBNONF-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203067;MM203067;O=CC1(CCCF)CC1;KYAXMBGWUJCNBY-UHFFFAOYSA-N;130.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203068;MM203068;N#CC1(CCCF)CC1;QZUGVCUXYQZSFD-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203069;MM203069;C=CC1(CCNC)CC1;OKFRTLRBATZCQJ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203070;MM203070;CNCCC1(C=O)CC1;HOFPHLJHUCBSAW-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203071;MM203071;CNCCC1(C#N)CC1;OLVXBGHKFLDORO-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203072;MM203072;C=CC1(CCOC)CC1;DCJQGAXADDOTOY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203073;MM203073;COCCC1(C=O)CC1;XQJSSEXOKZAWAI-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203074;MM203074;COCCC1(C#N)CC1;IGWLXHKGWBIMNH-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203075;MM203075;C=CC1(CNCC)CC1;JLJQHAMIYCJMFC-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203076;MM203076;CCNCC1(C=O)CC1;RCHBMDKEGDCQDM-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203077;MM203077;C=CC1(COCC)CC1;ZEDGMCQZURRCES-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203078;MM203078;CCOCC1(C=O)CC1;DMYYIYGCKQZCLT-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203079;MM203079;CCOCC1(C#N)CC1;GMTCWSPSEBRJQD-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203080;MM203080;C=CC1(NCCC)CC1;BYDKCXVNRDRJOJ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203081;MM203081;C=CC1(NCCN)CC1;NOUAEHDDRUKYKO-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203082;MM203082;C=CC1(NCCO)CC1;LQGIYHHEUKLFDT-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203083;MM203083;CCCNC1(C=O)CC1;HYXOOIVSMNTNDN-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203084;MM203084;CCCNC1(C#N)CC1;SUYZRBXUMHUCKJ-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203085;MM203085;N=C(CF)NC(CO)=NN;JHVMGVOINHLMSD-UHFFFAOYSA-N;148.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203086;MM203086;N#CC1(NCCF)CC1;JHTIUHZIBTWIQW-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203087;MM203087;C=CC1(OCCC)CC1;MENHLJCUHCAINC-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203088;MM203088;C=CC1(OCCN)CC1;IPEDGGQFBHZYNQ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203089;MM203089;C=CC1(OCCO)CC1;QZZKTEJUEBOEGB-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203090;MM203090;C=CC1(OCCF)CC1;SDSIJEDFSBZZNS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203091;MM203091;CCCOC1(C=O)CC1;WVJBWPIDWKYSRS-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203092;MM203092;CCCOC1(C#N)CC1;JIRVDIOPLFMTHS-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203093;MM203093;O=CC1(OCCO)CC1;ZTUKAMVWARVFET-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203094;MM203094;N#CC1(OCCO)CC1;JRAAXDRPSJEFNM-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203095;MM203095;O=CC1(OCCF)CC1;XZYSWMLSDYLTEE-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203096;MM203096;N#CC1(OCCF)CC1;IFVCMPZMRDJWLL-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203097;MM203097;C=CC1(OCOC)CC1;CCFKXSLLMLLCRK-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203098;MM203098;COCOC1(C#N)CC1;GEFKFOOWEJGSKA-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203099;MM203099;C=CC1(CCCN)CN1;ARQSOYCYQJFKNE-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203100;MM203100;CCCCC1(C=O)CN1;SGZNRSCCDRQJJO-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203101;MM203101;CCCCC1(C#N)CN1;SOCSVDCYYIFRQK-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203102;MM203102;CN=C(CO)NN=C(C)C;OEGCQADARPEAHQ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203103;MM203103;CCC(=O)N(N)C(=N)CO;FPVRJGIAUKBXHC-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203104;MM203104;O=CC1(CCCF)CN1;WMKSDVOVMJJWDU-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203105;MM203105;N#CC1(CCCF)CN1;RGVJCKDYBJQKHF-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203106;MM203106;C=CC1(CCNC)CN1;HMYSVZFAIKOYRI-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203107;MM203107;CNCCC1(C=O)CN1;LSXYAWCCBXFJBO-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203108;MM203108;CNCCC1(C#N)CN1;CGFGTOOGDWJQAS-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203109;MM203109;COCCC1(C=O)CN1;LOHDMTDVZDDVKY-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203110;MM203110;COCCC1(C#N)CN1;SRQRSVFIQLYNED-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203111;MM203111;C=CC1(CNCC)CN1;FYPVTLZQXGVLKK-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203112;MM203112;CCNCC1(C=O)CN1;NFRALBWIIXNVFP-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203113;MM203113;C=CC1(COCC)CN1;TXKGTKAIRFIOJV-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203114;MM203114;CCOCC1(C=O)CN1;CGMDWNRTAVNJLN-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203115;MM203115;CCOCC1(C#N)CN1;USDZJEZJZBLLOX-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203116;MM203116;C=CC1(CCCC)CO1;HSTBMAGOCIXLHR-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203117;MM203117;C=CC1(CCCN)CO1;UVAFBRIBWSXLPE-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203118;MM203118;C=CC1(CCCO)CO1;GBTKASVNNLMKFX-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203119;MM203119;C=CC1(CCCF)CO1;OMGHXWIOZOWXBD-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203120;MM203120;CCCCC1(C=O)CO1;FSDFXPXRKJAWDF-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203121;MM203121;CCCCC1(C#N)CO1;SHWHEIOPZBCCFK-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203122;MM203122;O=CC1(CCCO)CO1;FLURBNKZFMLJPY-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203123;MM203123;N#CC1(CCCO)CO1;YQWWBWKHEKFGLA-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203124;MM203124;O=CC1(CCCF)CO1;BMFLXFWSRRMTDH-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203125;MM203125;C=CC1(CCNC)CO1;AJUATRRJNQKCEO-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203126;MM203126;CNCCC1(C=O)CO1;JPNYCBAETNAHFO-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203127;MM203127;CNCCC1(C#N)CO1;AKBQQCCBFYXLJJ-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203128;MM203128;C=CC1(CCOC)CO1;UFEJIBJSMJVTBW-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203129;MM203129;COCCC1(C=O)CO1;NSVSYWJUVDQHJL-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203130;MM203130;COCCC1(C#N)CO1;NLOOZBKGDLFKLC-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203131;MM203131;C=CC1(CNCC)CO1;KSVQAGPJVCXRGX-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203132;MM203132;CCNCC1(C=O)CO1;QOAWHKMRJXIODW-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203133;MM203133;C=CC1(COCC)CO1;KGZUFQCOBBVIDS-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203134;MM203134;CCOCC1(C=O)CO1;DZENTYJOJSDAMH-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203135;MM203135;CCOCC1(C#N)CO1;SOEWVRORDHBQAL-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203136;MM203136;C=CCCC1(C=C)CC1;SLMCXIHZLLEHLD-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203137;MM203137;C=CC1(CCC=O)CC1;XOCPESVZRDQQBP-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203138;MM203138;C=CC1(CCC#N)CC1;FVVKBHUNTQJRIE-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203139;MM203139;C=CCCC1(C=O)CC1;CBNDMCUWUUJVHY-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203140;MM203140;C=CCCC1(C#N)CC1;PBTVKLRJVLHQCJ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203141;MM203141;O=CCCC1(C=O)CC1;YBIYEDVSOATDMT-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203142;MM203142;N#CCCC1(C=O)CC1;BHGLSIUPYKCGEM-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203143;MM203143;N#CC1(CCC=O)CC1;VUPMBCIHQKSGOF-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203144;MM203144;N#CCCC1(C#N)CC1;FOCLWXKUVVLCJR-UHFFFAOYSA-N;120.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203145;MM203145;C=CC1(CNC=N)CC1;RAQVOGFNGHNTLQ-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203146;MM203146;CC(C#CCO)OC=NN;ULKBLCNEUKMYEP-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203147;MM203147;N=CNCC1(C=O)CC1;DJHZPYGTSPXIOH-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203148;MM203148;N#CC1(CNC=N)CC1;HOOJHWRXGQYDQC-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203149;MM203149;CC=NOC(C)C(F)CO;SVMFYFGVURCDPG-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203150;MM203150;N#CC1(CNC=O)CC1;DRROSDYNZDSVON-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203151;MM203151;C=CC1(CNN=C)CC1;CJRSYPQUVUBSJV-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203152;MM203152;C=NNCC1(C=O)CC1;WFEUGTOZWASYDC-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203153;MM203153;CN(N=CCF)C(=N)CO;VPEFIVNVCDOEFG-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203154;MM203154;C=COCC1(C=C)CC1;ISLNVSCQPWZBSM-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203155;MM203155;C=CC1(COC=O)CC1;NTBSSYNONDVGTJ-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203156;MM203156;C=COCC1(C=O)CC1;PVPBAALWWKHJDC-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203157;MM203157;C=COCC1(C#N)CC1;WOXVLRPGHGIIBT-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203158;MM203158;O=COCC1(C=O)CC1;LPJWFKFSRNNBFV-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203159;MM203159;N#CC1(COC=O)CC1;YYLSFBLPNLRCHM-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203160;MM203160;C=CC1(CON=C)CC1;KJELHIBUNJRWKY-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203161;MM203161;C=NOCC1(C=O)CC1;PSCDDNUHMSAWBR-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203162;MM203162;C=NOCC1(C#N)CC1;USAXICRWHNBGBD-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203163;MM203163;C=CCNC1(C=C)CC1;YBPASVNHURCTMW-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203164;MM203164;C=CC1(NCC#N)CC1;WNSNKFRULVNDPN-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203165;MM203165;C=CCNC1(C#N)CC1;FRPFZENTCHARBL-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203166;MM203166;CN(N=CC=O)C(=N)CO;RZNHQAFXLFSVGI-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203167;MM203167;N#CCNC1(C=O)CC1;HYECROWBORYUAM-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203168;MM203168;COC=CN(O)C(=N)C=O;DMKMHKURBXOLEK-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203169;MM203169;N#CCNC1(C#N)CC1;SLODPQIICJPQQZ-UHFFFAOYSA-N;121.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203170;MM203170;C=CC1(NNC=N)CC1;CHMDFGJYLJNHHN-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203171;MM203171;NN=CC=CCC(O)CO;BEBCOMDGTXIAEW-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203172;MM203172;N=CNNC1(C=O)CC1;VHQVYAATKHWZQU-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203173;MM203173;N#CC1(NNC=N)CC1;NZGFZHXNOBCOCY-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203174;MM203174;O=CNNC1(C=O)CC1;FGFYZOBJKPNEIS-UHFFFAOYSA-N;128.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203175;MM203175;N#CC1(NNC=O)CC1;SRJYGULXWCEJJC-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203176;MM203176;C=CCOC1(C=C)CC1;SBSKCGSMLZPGJK-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203177;MM203177;C=CC1(OCC=O)CC1;VZKUOIHGIQALDW-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203178;MM203178;C=CC1(OCC#N)CC1;BBACKKBRTAUIFQ-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203179;MM203179;C=CCOC1(C=O)CC1;FQYHVKHMYZGOFV-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203180;MM203180;C=CCOC1(C#N)CC1;QXLNWUWMGGBDNS-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203181;MM203181;O=CCOC1(C=O)CC1;YMUJQFZXOWTTMD-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203182;MM203182;N#CCOC1(C=O)CC1;VVNQNMMFCIYWDQ-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203183;MM203183;N#CC1(OCC=O)CC1;TUBRNYHAIQMELT-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203184;MM203184;N#CCOC1(C#N)CC1;RHIZACZGCDPRAX-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203185;MM203185;C=CC1(ONC=N)CC1;DZDVTEAACJHDFM-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203186;MM203186;C=CC1(ONC=O)CC1;PQBURWZKXNBFKM-UHFFFAOYSA-N;127.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203187;MM203187;N=CNOC1(C=O)CC1;IHDAHELETLKQJA-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203188;MM203188;N#CC1(ONC=N)CC1;SYNTVHZVGQNYJY-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203189;MM203189;O=CNOC1(C=O)CC1;DSOBJCSUZXHJBY-UHFFFAOYSA-N;129.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203190;MM203190;N#CC1(ONC=O)CC1;UWYXVPWDFWRICJ-UHFFFAOYSA-N;126.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203191;MM203191;C=CC1(CCC#N)CN1;BOSKMVYVGJWZKR-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203192;MM203192;C=CCCC1(C=O)CN1;DHZCLUOYUGAKLK-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203193;MM203193;C=CCCC1(C#N)CN1;YTFQAJPBRFBVRM-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203194;MM203194;C#CC(NN=C)C(F)CO;FCEJHSUDOMODHV-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203195;MM203195;N#CCCC1(C=O)CN1;WLACTAFRQBYKKN-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203196;MM203196;CC=NN(CC)C(=N)CO;KJUKXGBPNKBFCK-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203197;MM203197;N#CCCC1(C#N)CN1;YBNGRQDUKHYBQW-UHFFFAOYSA-N;121.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203198;MM203198;C=CC1(CNC=N)CN1;BXEMGARMXNYLEQ-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203199;MM203199;CON=C(CO)C(=N)NO;UZOMASNMXYJYON-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203200;MM203200;N=CNCC1(C=O)CN1;DDHVTCWKVGWPCF-UHFFFAOYSA-N;127.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203201;MM203201;N#CC1(CNC=N)CN1;GIRNVZKPTLKZER-UHFFFAOYSA-N;124.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203202;MM203202;C=NN=C(NO)NCCO;NBMNWGUERLJODI-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203203;MM203203;CC=NNC(CO)=NCC;VBPANZKXYQDFQV-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203204;MM203204;C=CC1(CNN=C)CN1;ANBYBRAPJFBFFH-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203205;MM203205;CC(F)=C(CF)N(O)C=N;VMSODMORZSGTCM-UHFFFAOYSA-N;150.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203206;MM203206;C=COCC1(C=C)CN1;CAMMXICKFNZSPB-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203207;MM203207;C=CC1(COC=O)CN1;BMWGZLIYCSHZGH-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203208;MM203208;C=COCC1(C=O)CN1;DLGSKQISVFHSPH-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203209;MM203209;C=COCC1(C#N)CN1;ILOUJVHZUBIPLO-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203210;MM203210;N#CC1(COC=O)CN1;KAYMFFSTLHLAEC-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203211;MM203211;C=CC1(CON=C)CN1;YHDIXOVCAAERLE-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203212;MM203212;C=NOCC1(C=O)CN1;QZROOFABUMEXQG-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203213;MM203213;C=NOCC1(C#N)CN1;YZWSFSKGNSMKOW-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203214;MM203214;C=CCCC1(C=C)CO1;HTBQQIQVFTZIRC-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203215;MM203215;C=CC1(CCC=O)CO1;GJXFVZLKELCVOW-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203216;MM203216;C=CC1(CCC#N)CO1;NLYIUXARPJTVSL-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203217;MM203217;C=CCCC1(C=O)CO1;CSDRZXJPKWIYNY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203218;MM203218;C=CCCC1(C#N)CO1;YRUGKSOAGFMEHC-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203219;MM203219;O=CCCC1(C=O)CO1;FGBXVDVTKVKSJF-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203220;MM203220;N#CCCC1(C=O)CO1;WRGQYLTYIZFXDJ-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203221;MM203221;N#CC1(CCC=O)CO1;WAONIWHIXAFGGQ-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203222;MM203222;N#CCCC1(C#N)CO1;IBTWJRXDBVWENF-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203223;MM203223;C=CC1(CNC=N)CO1;OUGHUWIUQQHICQ-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203224;MM203224;CC(N)=C(C#N)C(F)CO;NJAUUQNAGOLJFL-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203225;MM203225;N#CC1(CNC=N)CO1;WKOLFVHGKXPLTC-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203226;MM203226;O=CNCC1(C=O)CO1;GHJDBEFJQOSYOW-UHFFFAOYSA-N;129.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203227;MM203227;N#CC1(CNC=O)CO1;LOSFLYSOAPAQEK-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203228;MM203228;C=CC1(CNN=C)CO1;LHCZBZPAMUQIRE-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203229;MM203229;C=NNCC1(C=O)CO1;ALHDQTNQDHJILR-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203230;MM203230;N#CC(=C(N)N)C(F)CO;DTKLWKQZBMYZNX-UHFFFAOYSA-N;145.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203231;MM203231;C=COCC1(C=C)CO1;KVWFOENOAANPFM-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203232;MM203232;C=CC1(COC=O)CO1;MOIKLHJBFAYVCC-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203233;MM203233;C=COCC1(C=O)CO1;HNJUZORPCHOTBV-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203234;MM203234;C=COCC1(C#N)CO1;KGWJUZDTBPZXHA-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203235;MM203235;N#CC1(COC=O)CO1;KOOCVOOTFZGPNS-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203236;MM203236;C=CC1(CON=C)CO1;GWVTYFIGNVIWAW-UHFFFAOYSA-N;127.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203237;MM203237;C=NOCC1(C=O)CO1;RTKCTXOORCCFOU-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203238;MM203238;C=NOCC1(C#N)CO1;QCJTXDHYJCFQQN-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203239;MM203239;C#CCCC1(C=C)CC1;QLJMTMFKQAXCLF-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203240;MM203240;C#CCCC1(C=O)CC1;QEDYPVBZPFNNLK-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203241;MM203241;C#CCCC1(C#N)CC1;BRHFRSWLMPRYQR-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203242;MM203242;C#CCNC1(C#N)CC1;HKPRQUGKEHLXLF-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203243;MM203243;C#CCOC1(C=C)CC1;IKPJZDVWBKWRRO-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203244;MM203244;C#CCOC1(C=O)CC1;NRJVBTPXMTVKFD-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203245;MM203245;C#CCOC1(C#N)CC1;BSEGJIKYCYHMBO-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203246;MM203246;C#CCCC1(C=O)CN1;SMSKTRFZDHQCGE-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203247;MM203247;C#CCCC1(C#N)CN1;UCIWFGSAUOBJOQ-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203248;MM203248;C#CCCC1(C=C)CO1;FWMSXDPHPNMQJV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203249;MM203249;C#CCCC1(C#N)CO1;KVEJCXSSIGRHCA-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203250;MM203250;C#CC1(CCCC)CC1;ZVUPIMJPZQRTSM-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203251;MM203251;C#CC1(CCCN)CC1;VBZJKRSYWWCYCM-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203252;MM203252;C#CC1(CCCO)CC1;JDFHOTKGPHBLIR-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203253;MM203253;C#CC1(CCCF)CC1;AREFSGCMRQKUSY-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203254;MM203254;C#CC1(CCNC)CC1;HJLUHSXVSJBSIM-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203255;MM203255;C#CC1(CCOC)CC1;KCSZAWLXZLQOLR-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203256;MM203256;C#CC1(CNCC)CC1;KVWXLOSFWAEIJZ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203257;MM203257;C#CC1(COCC)CC1;BIAUXRMLHWCHPP-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203258;MM203258;C#CC1(NCCC)CC1;FFAYJPSJUPLWRW-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203259;MM203259;C#CC1(NCCN)CC1;CMFXSQJJTKMQMI-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203260;MM203260;C#CC1(NCCO)CC1;IBAKATVLFPMECY-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203261;MM203261;C#CC1(OCCC)CC1;KREXBKLCHKCOAZ-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203262;MM203262;C#CC1(OCCN)CC1;YIAXKIIEXRVSGN-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203263;MM203263;C#CC1(OCCO)CC1;SGXOKEHKWCZDJY-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203264;MM203264;C#CC1(OCCF)CC1;BLHIBSBGJFCVDF-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203265;MM203265;C#CC1(OCOC)CC1;XQNJXMNXFAJQNA-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203266;MM203266;C#CC1(CCCC)CN1;LIKRJQFSARMOFO-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203267;MM203267;C#CC1(CCCN)CN1;ZGIVEMBEKXSFHX-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203268;MM203268;N=CN(O)C(C=O)=C(N)N;OVWNBTCJAQCBEV-UHFFFAOYSA-N;144.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203269;MM203269;C#CC1(CCCF)CN1;ICQNVOAHFJAXLP-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203270;MM203270;C#CC1(CCNC)CN1;QLZYSLNSQGQTAK-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203271;MM203271;C#CC1(CCOC)CN1;BZHCUJRJSJTLNE-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203272;MM203272;C#CC1(CNCC)CN1;CXZDCUVHBDBTRJ-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203273;MM203273;C#CC1(COCC)CN1;BQMXXGLGQIZPCQ-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203274;MM203274;C#CC1(CCCC)CO1;KFSUZTHSFVCAKW-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203275;MM203275;C#CC1(CCCN)CO1;PGDQKNFONFLXFD-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203276;MM203276;C#CC1(CCCO)CO1;LWIYEGRIRXSQDM-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203277;MM203277;C#CC1(CCNC)CO1;DWLNOXSEKFFHDM-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203278;MM203278;C#CC1(CCOC)CO1;JGXZHAZLRTWHOP-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203279;MM203279;C#CC1(CNCC)CO1;DBGOBVOBRLSHTA-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203280;MM203280;C#CC1(COCC)CO1;YECACGPCJJSNRW-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203281;MM203281;C#CC1(CCC=C)CC1;LGNGNTLVFIYEAY-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203282;MM203282;C#CC1(CCC=O)CC1;BJSZTUAJPPQFHB-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203283;MM203283;C#CC1(CCC#N)CC1;ZBIJUTWSCQYQSY-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203284;MM203284;C#CC1(CNC=N)CC1;CJWRPUFEBSPZRF-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203285;MM203285;C=CC(N)=C(C#N)C(C)O;OHOMZOUVEWROTM-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203286;MM203286;C#CC1(CNN=C)CC1;URVKUZKGTUVUTD-UHFFFAOYSA-N;122.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203287;MM203287;C#CC1(COC=C)CC1;GCHFTHVXKNUUPC-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203288;MM203288;C#CC1(COC=O)CC1;AEZPFGXHARFRDQ-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203289;MM203289;C#CC1(CON=C)CC1;LCHUQCRUTDMXMU-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203290;MM203290;C#CC1(NCC#N)CC1;QCDADXXMVPDDNP-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203291;MM203291;C#CC1(NNC=N)CC1;UXWXGKUFPVYOTH-UHFFFAOYSA-N;123.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203292;MM203292;C=NN=CC(=NN)C(C)O;DGYCRDJZMNTFFZ-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203293;MM203293;C#CC1(OCC=C)CC1;ILHMKYVPVYZGNG-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203294;MM203294;C#CC1(OCC=O)CC1;LIUIFRSNZZJUFR-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203295;MM203295;C#CC1(OCC#N)CC1;TWKRMTPOVHWYPM-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203296;MM203296;C#CC1(ONC=N)CC1;MIWZXIAHZPGWCY-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203297;MM203297;C#CC1(ONC=O)CC1;ZXIKZGIHGFAWLT-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203298;MM203298;C#CC1(CCC=C)CN1;NRCAMHKTFYNONS-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203299;MM203299;N=c1c(=O)ccn(O)n1N;HOTYCZXFXWYQNE-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203300;MM203300;C#CC1(CCC#N)CN1;OUMBYEJNTREEQB-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203301;MM203301;C#CC1(CNC=N)CN1;QJSQXXOJAMJSQY-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203302;MM203302;CC1C(CC(O)CO)N1C;REQXQARQXRMKHG-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203303;MM203303;C#CC1(CNN=C)CN1;PPOQFQCGGKPERT-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203304;MM203304;C#CC1(COC=C)CN1;IJXQIYLDKLXSJF-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203305;MM203305;C#CC1(COC=O)CN1;AVNWAOVLEQSVCV-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203306;MM203306;C#CC1(CON=C)CN1;NYPSWKQOYCAJCF-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203307;MM203307;C#CC1(CCC=C)CO1;MNTREPXTRYENGX-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203308;MM203308;C#CC1(CCC=O)CO1;OPUHAEDAJNYBDB-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203309;MM203309;C#CC1(CCC#N)CO1;ASSNLGJLHBANKJ-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203310;MM203310;C#CC1(CNC=N)CO1;IJCCCXIKOUASHK-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203311;MM203311;C#CC1(CNC=O)CO1;AZNXJBOORCSWBX-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203312;MM203312;C#CC1(CNN=C)CO1;QTSRCISZRDNSQJ-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203313;MM203313;C#CC1(COC=C)CO1;YRFHZUSEKDNHSR-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203314;MM203314;C#CC1(COC=O)CO1;ZULWEXRWHRSFPD-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203315;MM203315;C#CC1(CON=C)CO1;DVDUFGWKWNMTRY-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203316;MM203316;C#CCCC1(C#C)CC1;UUARQCQRNHGPBT-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203317;MM203317;C#CCOC1(C#C)CC1;AEHCPMSVNTXDCC-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203318;MM203318;C#CCCC1(C#C)CN1;IDJVQJYJXXWULX-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203319;MM203319;C#CCCC1(C#C)CO1;WKUFGVHHNSHUMZ-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203320;MM203320;CC(CN)(CN)C1CN1;LVRPVEYKVYLNSS-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203321;MM203321;CCC(C)(CN)C1CO1;SBZUXMHPXPNANE-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203322;MM203322;CC(CN)(CN)C1CO1;ZZSRASJZZLDLIM-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203323;MM203323;COC(C)(C#N)C1CC1;ALGXPWPMFNEQAJ-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203324;MM203324;C=CC(C)(CN)C1CN1;KEZMPMYUOFAJTH-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203325;MM203325;COC(C)(C#N)C1CN1;DURGOQQVZNPADH-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203326;MM203326;C=CC(C)(CO)C1CO1;HFEOEJBUSLNVDY-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203327;MM203327;C=CC(C)(OC)C1CO1;OKNFITRFPLMGFX-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203328;MM203328;COC(C)(C#N)C1CO1;FWZIQIBSELZLBI-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203329;MM203329;Cn1ccc(=O)nc1CO;CUMKTPGQJMZKGN-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203330;MM203330;NN=CNOC(CO)CO;IAOOHYYJFGQYDT-UHFFFAOYSA-N;149.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203331;MM203331;C#CC(C)(OC)C1CC1;WISIRCHUCNXIEI-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203332;MM203332;C#CC(C)(OC)C1CO1;QHQMKXUSCPMHGG-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203333;MM203333;C=CC(N)(C=C)C1CN1;VEQZRHXVXXKXOB-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203334;MM203334;C=CC(C)(C=O)N1CC1;NCRXUTGWJBGASI-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203335;MM203335;CC(C=O)(C=O)N1CC1;PHYDBXPGFOLAQY-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203336;MM203336;CC12CCC(C1N)C2N;GEAGCDMZQRCYEM-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203337;MM203337;CC1C2NCC1(C)C2O;AHIHGDCPKSBCLJ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203338;MM203338;CC1N2CCC1(N)C2C;DFAKCWZYXYMAER-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203339;MM203339;CCC1CCC2(C)CC12;GKEPFTMAUNZDIZ-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203340;MM203340;CC12CCC(CN)C1C2;SAJVNXVWIMZJOE-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203341;MM203341;C#CC(CO)ON=COC;RUIKCOOGKGFMOR-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203342;MM203342;CC12CCC(CF)C1C2;CJDUDYYPSQIBAY-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203343;MM203343;NCC1CCC2(N)CC12;SOTSEIFWEGKVFF-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203344;MM203344;NC12CCC(CO)C1C2;SBKDRYBPXSSQSC-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203345;MM203345;C=CC(C=CNC=O)=NN;QGLQBBOIJXEVRZ-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203346;MM203346;NCC1CCC2(O)CC12;KXEDZIUJPAUVHH-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203347;MM203347;OCC1CCC2(O)CC12;MZYYGOHDCYSENP-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203348;MM203348;CNC1CCC2(C)CC12;TUYASHDTYXMLDY-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203349;MM203349;CNC1CCC2(N)CC12;FMJFCOUNMQAYNB-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203350;MM203350;CNC1CCC2(F)CC12;ONHAJCGSZSPQLQ-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203351;MM203351;COC1CCC2(C)CC12;CCIXWUZCVAAZPZ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203352;MM203352;COC1CCC2(O)CC12;HHYUHHSEFNTSIU-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203353;MM203353;COC1CCC2(F)CC12;GINMUZLGUSHYEW-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203354;MM203354;CCC1NCC2(C)CC12;AZIIHQLTDDOISI-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203355;MM203355;CC12CNC(CN)C1C2;KHURFVROCXHFTG-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203356;MM203356;CC12CNC(CO)C1C2;SMTFKPINUPDSHT-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203357;MM203357;CCC1NCC2(N)CC12;WPMBPARGRMXHPM-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203358;MM203358;NCC1NCC2(N)CC12;BOSSMUNRNUBUHP-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203359;MM203359;NC12CNC(CO)C1C2;JYQCEJCONHHITB-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203360;MM203360;NC12CNC(CF)C1C2;AEJWZRIJJHKRJQ-UHFFFAOYSA-N;130.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203361;MM203361;CCC1NCC2(O)CC12;FIBPTVCQCWIWDW-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203362;MM203362;NCC1NCC2(O)CC12;XVHVGYKKYZMMCH-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203363;MM203363;OC12CNC(CF)C1C2;HMVOOGPEJOHFBB-UHFFFAOYSA-N;131.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203364;MM203364;CCC1OCC2(C)CC12;CQLIKPREYVRSIZ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203365;MM203365;CC12COC(CN)C1C2;KCXTZFSTRRTDTI-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203366;MM203366;CC12COC(CO)C1C2;LSMYUYRQQVWSGJ-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203367;MM203367;CCC1OCC2(N)CC12;OHCHTIDKEBPHOQ-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203368;MM203368;NCC1OCC2(N)CC12;PDHNTWXWORFGFH-UHFFFAOYSA-N;128.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203369;MM203369;NC12COC(CO)C1C2;ITJZYTCGEQUDOB-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203370;MM203370;CCC1OCC2(O)CC12;WOLOMFQACKYCEH-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203371;MM203371;NCC1OCC2(O)CC12;ULRKJUQIUMZMEM-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203372;MM203372;CCC1OCC2(F)CC12;GODNNFCDUNCHIV-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203373;MM203373;NCC1OCC2(F)CC12;HDNKTLDWNJUOTL-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203374;MM203374;COC1OCC2(C)CC12;OSJZKSLKDHHFIG-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203375;MM203375;COC1OCC2(N)CC12;HFRVKYFDRGELHZ-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203376;MM203376;CCC1CNC2(C)CC12;WQRSQAUTCBGHHC-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203377;MM203377;CC12CC1C(CN)CN2;QSQYTJUHPXCCBB-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203378;MM203378;CC12CC1C(CO)CN2;ZRQFPLUASQATJC-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203379;MM203379;CC12CC1C(CF)CN2;YPMYQFYRWVUKTJ-UHFFFAOYSA-N;129.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203380;MM203380;CNC1CNC2(C)CC12;XZXJLOGTJKRFLI-UHFFFAOYSA-N;126.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203381;MM203381;COC1CNC2(C)CC12;TVBMMTSTFNWFKS-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203382;MM203382;CCC1COC2(C)CC12;VIRDLXHZLSVVBL-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203383;MM203383;CC12CC1C(CN)CO2;XIBIPTWAONOCRY-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203384;MM203384;CC12CC1C(CO)CO2;SLTIQUVPQJGYKI-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203385;MM203385;CC12CC1C(CF)CO2;ZEQSOMSKFBDIET-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203386;MM203386;CNC1COC2(C)CC12;QOKSHMKYMVXORV-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203387;MM203387;COC1COC2(C)CC12;JBMAZVVLHNXGDP-UHFFFAOYSA-N;128.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203388;MM203388;CCN1CCC2(C)CC12;IEZSGROCMWDLGS-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203389;MM203389;CCN1CCC2(N)CC12;XXZGCGORPRHTHJ-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203390;MM203390;CCN1CCC2(O)CC12;ZRYCYTQSLLCYOR-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203391;MM203391;C=CC1CCC2(C)CC12;MNVHFGGKKNMRKJ-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203392;MM203392;C=CC1CCC2(N)CC12;XNYZAYIHPJEIDA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203393;MM203393;NN=C(NO)N(O)CCO;AYUGDKCKLCCKCK-UHFFFAOYSA-N;150.14;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203394;MM203394;C=CC1NCC2(C)CC12;LEJCGURUSBMDRK-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203395;MM203395;CC12CNC(C=O)C1C2;DYCIIRHPSFPFEK-UHFFFAOYSA-N;125.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203396;MM203396;C=CC1NCC2(N)CC12;DGYCHXDSQQDZCD-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203397;MM203397;C=CC1NCC2(O)CC12;GIITUUZCIDKZCN-UHFFFAOYSA-N;125.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203398;MM203398;O=CC1NCC2(O)CC12;LLLXMIBGZBQDQQ-UHFFFAOYSA-N;127.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203399;MM203399;C=CC1NCC2(F)CC12;DDLUZXFYUCXLQW-UHFFFAOYSA-N;127.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203400;MM203400;C=CC1OCC2(C)CC12;AJUHUHZHWQLQCW-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203401;MM203401;CC12COC(C=O)C1C2;LUTHPXUZEHCCHB-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203402;MM203402;CC12COC(C#N)C1C2;PCPRLKUBCLFRQT-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203403;MM203403;C=CC1OCC2(N)CC12;LGZODXCVSDTFMK-UHFFFAOYSA-N;125.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203404;MM203404;C=CC1OCC2(O)CC12;FGDILZDJUQJXGC-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203405;MM203405;N#CC1OCC2(O)CC12;AOWKUBCGJGIABI-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203406;MM203406;C=CC1OCC2(F)CC12;YMXAEMIMTFPOLB-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203407;MM203407;O=CC1OCC2(F)CC12;FJVLAFOEMASEJG-UHFFFAOYSA-N;130.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203408;MM203408;N#CC1OCC2(F)CC12;OKDVWRMXYWUGOG-UHFFFAOYSA-N;127.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203409;MM203409;C=CC1CNC2(C)CC12;QJKWPUDMZFUFKN-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203410;MM203410;CC12CC1C(C=O)CN2;NCHDVPCWGAYBCV-UHFFFAOYSA-N;125.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203411;MM203411;CC12CC1C(C#N)CN2;ITJJJUBKONJFBM-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203412;MM203412;C=CC1COC2(C)CC12;ONXRFYLIHHFYHO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203413;MM203413;CC12CC1C(C=O)CO2;PQVFLJNYGUUMCG-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203414;MM203414;CC12CC1C(C#N)CO2;IJIUZTCTKUWVFK-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203415;MM203415;N=CN1CCC2(F)CC12;HEEBVJOILGDJEX-UHFFFAOYSA-N;128.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203416;MM203416;C#CC1CCC2(C)CC12;AGCYTYFSQVMPCG-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203417;MM203417;C#CC1CCC2(N)CC12;RUQPHBKLYOELBP-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203418;MM203418;C#CC1NCC2(C)CC12;VYBCFNKALPUBAN-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203419;MM203419;C#CC1NCC2(N)CC12;RHSZUHSQZFGDEE-UHFFFAOYSA-N;122.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203420;MM203420;C#CC1NCC2(O)CC12;MARFNFAAHJCKOA-UHFFFAOYSA-N;123.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203421;MM203421;C#CC1OCC2(C)CC12;PBISNNNTXVUSHR-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203422;MM203422;C#CC1OCC2(N)CC12;ZHZCGACEIRLJFJ-UHFFFAOYSA-N;123.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203423;MM203423;C#CC1OCC2(O)CC12;LQRVKQOEDTVGNT-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203424;MM203424;C#CC1OCC2(F)CC12;CQSIMFFOGCVLHH-UHFFFAOYSA-N;126.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203425;MM203425;C#CC1CNC2(C)CC12;NGTIDYNHKYWRGW-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203426;MM203426;C#CC1COC2(C)CC12;SCOZDWKXYZAYEA-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203427;MM203427;CC=C1CNC2(C)CC12;SEGHCSHBCBAMQA-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203428;MM203428;CC12CC1C(=CF)CN2;LMPMSEVWEMXLKC-UHFFFAOYSA-N;127.16;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203429;MM203429;CC12CC1C(=NO)CN2;WOJKCNUKIGWYSY-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203430;MM203430;CN=C1NNC2(C)CC12;AGNYJZAJFUITSQ-UHFFFAOYSA-N;125.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203431;MM203431;COC(=NN)N(O)CCF;IJQJHDMAIDKODQ-UHFFFAOYSA-N;151.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203432;MM203432;CC=C1COC2(C)CC12;NECKJNXXALDSNV-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203433;MM203433;CC12CC1C(=CF)CO2;PLMNJYPSWKUOFF-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203434;MM203434;CC12CC1C(=NN)CO2;AANNMMXBWBJIAH-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203435;MM203435;CC12CC1C(=NO)CO2;ZVPZNLZAACCPEL-UHFFFAOYSA-N;127.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203436;MM203436;C=NOC(=O)C(CO)=NN;VEBGUOHMSBQUHX-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203437;MM203437;CN(C=CF)C(CO)=NN;DGOJJGXHQDRJLU-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203438;MM203438;CC=C1CCC2(C)OC12;DWHDGMWIXFCDLF-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203439;MM203439;CC12CCC(=CF)C1O2;ZXPWNIPCUVVHIJ-UHFFFAOYSA-N;128.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203440;MM203440;CC12CCC(=NN)C1O2;JSOPKKPAXMJZGL-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203441;MM203441;CC12CCC(=NO)C1O2;OWOVGYZGMCWTHT-UHFFFAOYSA-N;127.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203442;MM203442;CN=C1CCC2(C)CN12;ZNKGHYBVXVFMCV-UHFFFAOYSA-N;124.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203443;MM203443;CN=C(CO)N(N)C=NN;NDIZMVFJNAICAL-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203444;MM203444;NCC1C=CC2(O)CC12;WLDBYFVVZRSHEB-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203445;MM203445;CNC1C=CC2(O)CC12;GKATVATYKDPGAD-UHFFFAOYSA-N;125.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203446;MM203446;CCN1N=CC2(F)CC12;GRRLQQDKQORLMD-UHFFFAOYSA-N;128.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203447;MM203447;CCN1C=NC2(C)CC12;GHJLEXQELUKLML-UHFFFAOYSA-N;124.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203448;MM203448;CON1C=NC2(C)CC12;KEIFJBLXMVRTIT-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203449;MM203449;NC12C=CN(C=O)C1C2;LMZLFGRKSFXYES-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203450;MM203450;N=CN1C=CC2(O)CC12;CKUSGBWXJVURQH-UHFFFAOYSA-N;124.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203451;MM203451;O=CN1C=CC2(O)CC12;WEYSAUBCANTIDE-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203452;MM203452;N=CN1C=CC2(F)CC12;KZVLYAVZPZVHQY-UHFFFAOYSA-N;126.13;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203453;MM203453;O=CN1C=CC2(F)CC12;AWJUPBGUULFWSQ-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203454;MM203454;CC12C=NN(C=O)C1C2;SETMIIOCJQXZQW-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203455;MM203455;N=CN1N=CC2(N)CC12;SITZLVAUGZZMAB-UHFFFAOYSA-N;124.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203456;MM203456;C=CCn1cnc(CO)c1;PIGOUPBXHHNASQ-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203457;MM203457;O=CN1N=CC2(O)CC12;FRDAHNREYCRAMW-UHFFFAOYSA-N;126.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203458;MM203458;N=CN1N=CC2(F)CC12;VXABXZBLIUDHSX-UHFFFAOYSA-N;127.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203459;MM203459;O=CN1N=CC2(F)CC12;QJHZTRFLJGMGLU-UHFFFAOYSA-N;128.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203460;MM203460;CC12CC1N(C=O)C=N2;IRCXBQLFJZIQJZ-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203461;MM203461;C=NN1C=NC2(C)CC12;DXZNCHVKLYZGJS-UHFFFAOYSA-N;123.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203462;MM203462;CC=C1C=CC2(C)CC12;QVVWZJLTSMBVIC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203463;MM203463;CC12C=CC(=CF)C1C2;FEZWRTGVORBEJD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203464;MM203464;CC=C1C=CC2(N)CC12;SVJFHACUHXRYAG-UHFFFAOYSA-N;121.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203465;MM203465;NC12C=CC(=CF)C1C2;HBPRZGFVGZODKX-UHFFFAOYSA-N;125.15;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203466;MM203466;C#CCn1cnc(CO)c1;CSSXWWSXPHLWED-UHFFFAOYSA-N;136.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203467;MM203467;OC12C=CC(=CF)C1C2;NRKNVNYEBVSDPZ-UHFFFAOYSA-N;126.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203468;MM203468;CC=C1C=CC2(F)CC12;SNBSISXQSGJNFJ-UHFFFAOYSA-N;124.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203469;MM203469;FC=C1C=CC2(F)CC12;QMYPCDOEPWIRKX-UHFFFAOYSA-N;128.12;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203470;MM203470;CC12C=CC(=NN)C1C2;NLMHJJQAQGCRBI-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203471;MM203471;CC12C=CC(=NO)C1C2;LMLRYHILPBFOBD-UHFFFAOYSA-N;123.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203472;MM203472;NC12C=CC(=NO)C1C2;IMRWDXZLTTVNKF-UHFFFAOYSA-N;124.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203473;MM203473;Cc1cn(O)n(N)c1=NN;YKQPDNCZCLGJCZ-UHFFFAOYSA-N;143.15;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203474;MM203474;ON=C1C=CC2(O)CC12;CSDDKTFWILQDOM-UHFFFAOYSA-N;125.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203475;MM203475;NN=C1C=CC2(F)CC12;UGFBXTLMVMTNOW-UHFFFAOYSA-N;126.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203476;MM203476;ON=C1C=CC2(F)CC12;WCZCUVXDUUJNNZ-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203477;MM203477;CCC1C(C)C(F)C1N;NOSISEFLNQXQSP-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203478;MM203478;NC1C(F)C(N)C1CO;IMXSXDKKMLSCGZ-UHFFFAOYSA-N;134.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203479;MM203479;CC1C(CN)C(C)N1C;GCSSUHCLUMLAOR-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203480;MM203480;CC1C(O)C(CN)N1C;DEKJOBJQMDSNIV-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203481;MM203481;C=CC1C(C)C(C)C1C;ZTKBKXMMBMOOCF-UHFFFAOYSA-N;124.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203482;MM203482;C=CC1C(C)C(F)C1C;OEPWIEBDCZCNJS-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203483;MM203483;C=CC1C(N)C(C)C1N;KUAXKEYKWNXFNB-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203484;MM203484;CC1C(C)N(C)C1C#N;ZWPXZJOAMDXQHU-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203485;MM203485;C=CC1C(N)C(C)N1C;QPDDPWBCSVJUKV-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203486;MM203486;C#CC1C(C)C(N)C1C;WKAWGXMMWOQTAC-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203487;MM203487;C=NN1CC1CC(O)CO;KRSGLANZWJPAIR-UHFFFAOYSA-N;144.17;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203488;MM203488;C#CC1C(N)C(N)C1O;MWIUYAFBPXKIKT-UHFFFAOYSA-N;126.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203489;MM203489;C#CC1C(C)C(C)N1C;CXGYDXSXMPGZGE-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203490;MM203490;CCC1C(=O)C(C)C1C;AJMGQEIKIKJOPZ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203491;MM203491;CC1C(=O)C(CO)C1C;KDKYHJCTPIJHMP-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203492;MM203492;CC1C(=O)C(CF)C1C;JJHMPNUWNUMXMX-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203493;MM203493;CCC1C(=O)C(F)C1C;DREUDVXAYPHVKC-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203494;MM203494;CC1C(F)C(=O)C1CO;JUNZUJZZWRVHRL-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203495;MM203495;CC1C(=O)C(CO)C1O;LGTBHEZMTDVNLR-UHFFFAOYSA-N;130.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203496;MM203496;CC1C(=O)C(CF)C1O;BWFHTNLBLPMBFL-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203497;MM203497;CC1C(=O)C(CO)C1F;IJEBNHCMAKHEKY-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203498;MM203498;CNC1C(=O)C(C)C1C;ADUWPEOCENFRON-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203499;MM203499;COC1C(=O)C(C)C1C;HWMBPFPXNRUVRK-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203500;MM203500;COC1C(=O)C(O)C1C;JZSUEHBFIUJZCI-UHFFFAOYSA-N;130.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203501;MM203501;CCC1C(=O)C(C)N1C;VNVGXQOOIMJGNF-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203502;MM203502;NN=c1oc(N)c(CO)o1;PMGQUMNFSOBBQO-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203503;MM203503;CCn1cnc(CO)c1C;VJYVQUXUNSVRNJ-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203504;MM203504;CCN1C(=O)C(C)C1C;WOQUFKAXQUAAFT-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203505;MM203505;C=NNC1CC1C(F)C=O;WFPBEANLBOHCIR-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203506;MM203506;C=CC1C(=O)C(C)C1C;WDQIHOLTNUMPER-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203507;MM203507;Nn1c(O)c(CO)oc1=O;UIVADRBKYRRGAB-UHFFFAOYSA-N;146.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203508;MM203508;CC1C(=O)C(C#N)C1C;RPYLACDZRZIVBY-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203509;MM203509;C=CC1C(=O)C(O)C1C;KXLYUIXUZTUZPF-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203510;MM203510;CC1C(O)C(=O)C1C#N;KPUYKRNPMAJDLD-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203511;MM203511;C=CC1C(=O)C(F)C1C;FSAFFUVRHNAOPS-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203512;MM203512;CC1C(=O)C(C#N)C1O;LBKQEXZLJVSFPY-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203513;MM203513;C#CCC(O)C1C(C)N1C;DQQITXHYAXNOEK-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203514;MM203514;CC1C(=O)C(C#N)N1C;UUWHYYOSESHHGM-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203515;MM203515;C=CN1C(=O)C(C)C1C;RFXQDPBYMLJADP-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203516;MM203516;CC1C(=O)N(C=N)C1C;QZCHQEFPVLBRFR-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203517;MM203517;CC1C(=O)N(C=O)C1C;SCFCJQVPRYIEQS-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203518;MM203518;COC=NOCC#CCO;WJHJQPBUCPCSED-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203519;MM203519;CC1C(O)C(=O)N1C=N;PXCWOAYCSKZRQW-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203520;MM203520;CC1C(O)C(=O)N1C=O;OYWMAMRVAXJCMT-UHFFFAOYSA-N;129.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203521;MM203521;C=NN1C(=O)C(C)C1C;BNHJVUXIECEFOC-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203522;MM203522;C#CC1C(=O)C(C)C1C;PGEOWQLWWVXNSM-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203523;MM203523;C#CC1C(=O)C(O)C1C;AAMKTACKORLOCT-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203524;MM203524;C#CC1C(=O)C(C)C1O;MYHVTLMWSQJQLF-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203525;MM203525;OCC1=NCC(CF)=NN1;LKRKYGLGIVACSV-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203526;MM203526;CCC1CCC(CC)C1;RUUVWUNHERVOAY-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203527;MM203527;CCC1CCC(CN)C1;QWILCUQKBQYMTQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203528;MM203528;CNC(C#N)C(C)O;JUSNCLUNIUGUAS-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203529;MM203529;CCC1CCC(CF)C1;FKEQCMKPUASKEQ-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203530;MM203530;NCC1CCC(CN)C1;HTALOEFRFXMCFB-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203531;MM203531;NCC1CCC(CO)C1;DGYWRQKRNRUUGU-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203532;MM203532;NCC1CCC(CF)C1;DYFJQIUOOSHVPJ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203533;MM203533;CCc1coc(N)n1;QUCPOTCGHLLGRZ-UHFFFAOYSA-N;112.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203534;MM203534;C=COc1cc[nH]n1;AKUMJPGLLBUOOD-UHFFFAOYSA-N;110.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203535;MM203535;FCC1CCC(CF)C1;ONJGJRURJKGNLA-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203536;MM203536;CCC1CCC(NC)C1;ANPZJEJZFNIYIX-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203537;MM203537;CNC1CCC(CN)C1;XTDPTRWKCGHEJX-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203538;MM203538;CNC1CCC(CO)C1;HMXFNXYNNYRFJK-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203539;MM203539;CNC1CCC(CF)C1;FOGHHKQQKREORC-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203540;MM203540;CCC1CCC(OC)C1;RSOSXOCBQRQHOJ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203541;MM203541;COC1CCC(CN)C1;IIZPOUQNHUSFJC-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203542;MM203542;COC1CCC(CO)C1;MJOHQIKGKYKXOK-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203543;MM203543;COC1CCC(CF)C1;PJGKFSZJLLDVBP-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203544;MM203544;CNC1CCC(NC)C1;CDUDTYDNXYDLJH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203545;MM203545;CNC1CCC(OC)C1;HAPFZBJQSMUMBG-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203546;MM203546;COC1CCC(OC)C1;QBRPYJDRWAUJGP-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203547;MM203547;CCC1CNC(CC)C1;JGSUVQJWOZRVIY-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203548;MM203548;CCC1CNC(CN)C1;IIOSWONVFUAZLH-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203549;MM203549;CCC1CNC(CO)C1;RORGQQMXCVRCTR-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203550;MM203550;CCC1CNC(CF)C1;UCDOPDXMJCYGRS-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203551;MM203551;CCC1CC(CN)CN1;HLCLMJDHWHAPJM-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203552;MM203552;NCC1CNC(CN)C1;NVVIDLFHCLHNFN-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203553;MM203553;NCC1CNC(CO)C1;KIMLODJONRVVNR-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203554;MM203554;NCC1CNC(CF)C1;DLGGLAOUPSUNRQ-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203555;MM203555;CCC1CC(CO)CN1;JOFRYDZVTXHNBZ-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203556;MM203556;NCC1CC(CO)CN1;MHLMOGXGLLVBBJ-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203557;MM203557;OCC1CNC(CO)C1;IFOUUUVIVGFWGY-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203558;MM203558;OCC1CNC(CF)C1;ZJTUHFKOHPDTFF-UHFFFAOYSA-N;133.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203559;MM203559;CCC1CC(CF)CN1;IKMZDYHWGAHOCL-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203560;MM203560;NCC1CC(CF)CN1;CAJVGSWTNMVAEG-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203561;MM203561;OCC1CC(CF)CN1;SLYRVXQQFLLEAF-UHFFFAOYSA-N;133.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203562;MM203562;FCC1CNC(CF)C1;URIYIBOXHVCYOH-UHFFFAOYSA-N;135.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203563;MM203563;CCC1CC(NC)CN1;DAOPBQUQMQCRHI-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203564;MM203564;CNC1CNC(CN)C1;ZVMAUXXOULBEGP-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203565;MM203565;CNC1CNC(CO)C1;CYTAYZUSPNISLM-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203566;MM203566;CCC1CC(OC)CN1;WMGQEVCVDFQTPL-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203567;MM203567;COC1CNC(CN)C1;LPNXXEPDTOGHGM-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203568;MM203568;COC1CNC(CO)C1;JUWWYVCNZFCWNH-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203569;MM203569;COC1CNC(CF)C1;FDSQVTOGYVLLKW-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203570;MM203570;CCC1COC(CC)C1;XJPTXFKDNNMTAO-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203571;MM203571;CCC1COC(CN)C1;ARDXOAYJEPQKDT-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203572;MM203572;CCC1CC(CN)CO1;WSNLSFFPFJYAGC-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203573;MM203573;NCC1COC(CN)C1;VMRUTFJVFNQZTF-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203574;MM203574;NCC1COC(CO)C1;DGMBUSGVWOFGNW-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203575;MM203575;CCC1CC(CO)CO1;RMZXNFFRXBMLRT-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203576;MM203576;NCC1CC(CF)CO1;FWFMNKPLGLXWDC-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203577;MM203577;CCC1COC(OC)C1;RMODVVPVBNLDDQ-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203578;MM203578;CCC1CC(NC)CO1;BLWYSHIBTLFXBO-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203579;MM203579;CNC1COC(CN)C1;QLKUUHKUKUFXRP-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203580;MM203580;CNC1COC(CO)C1;XEIFUMWMJJQZLO-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203581;MM203581;CNC1COC(OC)C1;ZKNQFPJAGNLJNQ-UHFFFAOYSA-N;131.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203582;MM203582;CCC1CC(OC)CO1;DQOCSTUXMCGDHP-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203583;MM203583;COC1COC(CO)C1;SGNGFMZYJAXEML-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203584;MM203584;COC1COC(OC)C1;QQGCAOBKBPZFJL-UHFFFAOYSA-N;132.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203585;MM203585;CCC1CCC(CC)N1;RDZWGZPNDVFBBJ-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203586;MM203586;CCC1CCC(CN)N1;AOVBKEHFPLWCSJ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203587;MM203587;CCC1CCC(CO)N1;LZSRVJPMQZDRAE-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203588;MM203588;CCC1CCC(CF)N1;JEXSFZXVVZQBLI-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203589;MM203589;NCC1CCC(CN)N1;DCUZYURLXJUJRV-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203590;MM203590;NCC1CCC(CO)N1;PIBQXZJYPAMRBM-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203591;MM203591;NCC1CCC(CF)N1;NMUDPNNUKNULBB-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203592;MM203592;OCC1CCC(CO)N1;ITNFYTQOVXXQNN-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203593;MM203593;OCC1CCC(CF)N1;UAIKAYGWBZGAMC-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203594;MM203594;CCC1CCC(CC)O1;YKWLEIXVUHRKEF-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203595;MM203595;CCC1CCC(CN)O1;DMTBEYHJVMAIAR-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203596;MM203596;CCC1CCC(CO)O1;BXHPLZCBUWROBR-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203597;MM203597;CCC1CCC(CF)O1;YTUKTHQDAHRYBN-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203598;MM203598;NCC1CCC(CN)O1;XEXIPRQHXNUUAA-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203599;MM203599;NCC1CCC(CO)O1;HEBLJGTVZJGFHQ-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203600;MM203600;OCC1CCC(CO)O1;YCZZQSFWHFBKMU-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203601;MM203601;OCC1CCC(CF)O1;ZJOSJRBITQSYFG-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203602;MM203602;FCC1CCC(CF)O1;YVYHMNXSRQSFGP-UHFFFAOYSA-N;136.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203603;MM203603;CCC1CCC(OC)O1;KXAFAUTYLQCFRL-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203604;MM203604;COC1CCC(CN)O1;YMNWRZPSGLPBQA-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203605;MM203605;COC1CCC(CO)O1;RPEIVOIQDNFJSY-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203606;MM203606;COC1CCC(CF)O1;IHDKMEWLJCEUGE-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203607;MM203607;COC1CCC(OC)O1;GFISDBXSWQMOND-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203608;MM203608;CCC1COC(CC)O1;SRDZKBMYGAYNLZ-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203609;MM203609;CCC1COC(CN)O1;FVZMAXAWEOMAPI-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203610;MM203610;CCC1COC(CO)O1;XPMJLBKWVHCMLT-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203611;MM203611;CCC1OCC(CN)O1;BJMBFOJJRFQRED-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203612;MM203612;NCC1COC(CN)O1;ZKZRSCILPCPQFG-UHFFFAOYSA-N;132.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203613;MM203613;CCC1OCC(CO)O1;KZODGPRCEZYZRW-UHFFFAOYSA-N;132.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203614;MM203614;NCC1OCC(CO)O1;INJIZMVQFUQPBR-UHFFFAOYSA-N;133.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203615;MM203615;NCC1OCC(CF)O1;NFWHZUPWSKHWCI-UHFFFAOYSA-N;135.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203616;MM203616;CCC1OCC(OC)O1;GYMQZDXJOWCOGM-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203617;MM203617;COC1COC(CN)O1;PRWNTHSGSLWUJC-UHFFFAOYSA-N;133.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203618;MM203618;COC1COC(CO)O1;GKYMRNBDLHOGQG-UHFFFAOYSA-N;134.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203619;MM203619;COC1COC(CF)O1;YCXTUVXLDNLZLV-UHFFFAOYSA-N;136.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203620;MM203620;CCC1CCN(CC)C1;IOCXUWPUGGOHQH-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203621;MM203621;CCN1CCC(CN)C1;NKJWMNYRBVKMJY-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203622;MM203622;CCN1CCC(CO)C1;OQESQLHTMOOSST-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203623;MM203623;CCN1CCC(NC)C1;HTLBMXFGHIAEJS-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203624;MM203624;C=CC1CCC(CC)C1;LNFNYRBPYDCWHV-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203625;MM203625;CCC1CCC(C=O)C1;PUWQTAZQYWLTIF-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203626;MM203626;CCC1CCC(C#N)C1;VIELWTVBFWPBAL-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203627;MM203627;C=CC1CCC(CN)C1;YHJCXQCGPQYOOY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203628;MM203628;C=CCc1cn[nH]c1;RYBSHYMGHOSQSD-UHFFFAOYSA-N;108.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203629;MM203629;C=CC(C)(CO)ON=C;XWBDZTMFZPHJHR-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203630;MM203630;C=NNCCC(O)CO;UFFVTZRYZOIDCF-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203631;MM203631;C=CC1CCC(CF)C1;PZDLXWXSMCEKLP-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203632;MM203632;O=CC1CCC(CF)C1;CNILJBDMSDRIIL-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203633;MM203633;N#CC1CCC(CF)C1;UFBAZISAKUJNGX-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203634;MM203634;C=CC1CCC(NC)C1;AUZFJCKHCQTFOE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203635;MM203635;CNC1CCC(C=O)C1;XHZNWLVIDTVUBR-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203636;MM203636;CNC1CCC(C#N)C1;MIHSAEFFIOMOPW-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203637;MM203637;C=CC1CCC(OC)C1;KLTVXZCDCLHTEZ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203638;MM203638;COC1CCC(C=O)C1;PDEMFRXOVRYNJJ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203639;MM203639;COC1CCC(C#N)C1;XOIZWUZFQSJCLS-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203640;MM203640;C=CC1CC(CC)CN1;BLRCZZLHIMSVBU-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203641;MM203641;CCC1CNC(C=O)C1;NTHBPRAVSKNLFL-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203642;MM203642;C=CC1CC(CN)CN1;SJKACHCPYDADJY-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203643;MM203643;C=CC1CC(CO)CN1;PHRIVQDWZHUPEY-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203644;MM203644;O=CC1CC(CO)CN1;UNNGSCUAMRTGPJ-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203645;MM203645;N=C(CO)NN=CCF;UALYATPRIMHXDU-UHFFFAOYSA-N;133.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203646;MM203646;C=CC1CC(CF)CN1;XHUQFKXSEPJKAY-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203647;MM203647;O=CC1CC(CF)CN1;BPSVJEOPZPHARC-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203648;MM203648;C=CC1CC(NC)CN1;GBYXHDZTVNDRDO-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203649;MM203649;CNC1CNC(C=O)C1;RSEYYMPZHUGYGC-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203650;MM203650;CNC1CNC(C#N)C1;OEMHOLYIUMEILZ-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203651;MM203651;C=CC1CC(OC)CN1;FNJJWUHUTSUIEL-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203652;MM203652;COC1CNC(C=O)C1;KHBIRDOXVLFEAL-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203653;MM203653;C=CC1CC(CC)CO1;LHASFCLRBUTNFE-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203654;MM203654;CCC1COC(C=O)C1;VEKWYLACYUMKHZ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203655;MM203655;CCC1COC(C#N)C1;ORDOZZNIVPQDGB-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203656;MM203656;C=CC1CC(CN)CO1;UWHCLRIZRPDFQX-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203657;MM203657;C=CC1CC(CO)CO1;YUOBVNBFSAGCRS-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203658;MM203658;O=CC1CC(CO)CO1;KFVPABVVOHZICS-UHFFFAOYSA-N;130.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203659;MM203659;N#CC1CC(CO)CO1;MTXMTJUWAHOTOW-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203660;MM203660;C=CC1CC(NC)CO1;DNGAJNQSPOGOIZ-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203661;MM203661;CNC1COC(C=O)C1;LPIGGNFLYRGSDA-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203662;MM203662;CNC1COC(C#N)C1;ADWFAXUHXCERRK-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203663;MM203663;C=CC1CC(OC)CO1;BTBALTKGEPNHLV-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203664;MM203664;COC1COC(C=O)C1;UTOFJKPAMOTUMQ-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203665;MM203665;COC1COC(C#N)C1;PIPGMVQVHPINSW-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203666;MM203666;C=CC1CNC(CC)C1;BBJAKWYQXNRLGI-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203667;MM203667;CCC1CC(C=O)CN1;ZVFQUEVRYVUSSH-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203668;MM203668;CCC1CC(C#N)CN1;DHSKVIPDEPRIHT-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203669;MM203669;C=CC1CNC(CN)C1;LUCUJOOSAVKRQY-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203670;MM203670;C=CC1CNC(CO)C1;IGPJGCKAHJKPDB-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203671;MM203671;O=CC1CNC(CO)C1;CZUNSLCNRZVRFN-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203672;MM203672;C=CC1CNC(CF)C1;WCEUASXQMGAUAQ-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203673;MM203673;O=CC1CNC(CF)C1;CJKNSLDSSATMPY-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203674;MM203674;C=CC1COC(CC)C1;FMBMAGGCWVOYBV-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203675;MM203675;CCC1CC(C=O)CO1;DKVKQUARFHJDAB-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203676;MM203676;CCC1CC(C#N)CO1;AIFHEXKJAULVRW-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203677;MM203677;C=CC1COC(CN)C1;JLDHSUVVKYTZGY-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203678;MM203678;C=CC1COC(CO)C1;BQAWCGRJIMAKAM-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203679;MM203679;N#CC1COC(CO)C1;UHPARLUKIWTIRT-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203680;MM203680;O=CC1COC(CF)C1;OIQAIAHWZUMJIB-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203681;MM203681;N#CC1COC(CF)C1;USTBKNULZHIAHU-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203682;MM203682;COC1CC(C=O)CO1;GPBISXNOOOPDIB-UHFFFAOYSA-N;130.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203683;MM203683;COC1CC(C#N)CO1;YPOBWOOXDKFRBC-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203684;MM203684;C=CC1CCC(CC)N1;PQYLDAVSPXPCIC-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203685;MM203685;CCC1CCC(C=O)N1;IWWVLQOMBFEPOC-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203686;MM203686;C=CC1CCC(CN)N1;HKWJLCSIZLHQBN-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203687;MM203687;C=CC1CCC(CO)N1;BLIUUTJUTZMILG-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203688;MM203688;O=CC1CCC(CO)N1;CCIWQLKCZRXWQO-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203689;MM203689;CC(C=CNC=O)=NN;HTPIZRLYYMNXIL-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203690;MM203690;C=CC1CCC(CF)N1;LYNFWWILQIQYKE-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203691;MM203691;N#CC1CCC(CF)N1;OQDMDFHVUHQDNH-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203692;MM203692;C=CC1CCC(CC)O1;PTDBTOBFGFYQPE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203693;MM203693;CCC1CCC(C=O)O1;SQMKHXFACJGUQB-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203694;MM203694;CCC1CCC(C#N)O1;ZQFHUZCIAYKNBM-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203695;MM203695;C=CC1CCC(CN)O1;NLJRDQPLUFBQMA-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203696;MM203696;C=CC1CCC(CO)O1;KBCPCIDYIKJEOR-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203697;MM203697;O=CC1CCC(CO)O1;ICKVPZXRXWSXBD-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203698;MM203698;N#CC1CCC(CO)O1;UMFWHIDGOYLQAM-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203699;MM203699;C=CC1CCC(CF)O1;XUQBYVKYQFLTCJ-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203700;MM203700;O=CC1CCC(CF)O1;GOBKONDPZCVHRF-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203701;MM203701;N#CC1CCC(CF)O1;LJUIUNXXSKJJHD-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203702;MM203702;C=CC1CCC(OC)O1;YSPGJZUENKTIEG-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203703;MM203703;COC1CCC(C=O)O1;KBVIMOQCZDXAJX-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203704;MM203704;COC1CCC(C#N)O1;MFZDIEWHVWQFKS-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203705;MM203705;C=CC1OCC(CC)O1;WHKLHIFXZJXTOQ-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203706;MM203706;CCC1COC(C=O)O1;VADGNNMHPHWXGC-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203707;MM203707;CCC1COC(C#N)O1;AQXVYFIBSIFASE-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203708;MM203708;C=CC1OCC(CN)O1;ILHFKJZKIOHSPR-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203709;MM203709;C=CC1OCC(CO)O1;JMAUXGPDSZGZAJ-UHFFFAOYSA-N;130.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203710;MM203710;N#CC1OCC(CO)O1;NBRDWZBNYCKSCH-UHFFFAOYSA-N;129.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203711;MM203711;O=CC1OCC(CF)O1;QEIUVBWAOXHOJV-UHFFFAOYSA-N;134.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203712;MM203712;C=CC1OCC(OC)O1;BHISZCXFSULESM-UHFFFAOYSA-N;130.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203713;MM203713;COC1COC(C#N)O1;ONMLGRPPWBZVJY-UHFFFAOYSA-N;129.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203714;MM203714;C=CC1COC(CC)O1;ZUCSYMAKGDHPLU-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203715;MM203715;CCC1OCC(C=O)O1;DNJADXZSTMEUCE-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203716;MM203716;CCC1OCC(C#N)O1;RFHUAPYMWZPDQZ-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203717;MM203717;C=CC1COC(CN)O1;NOXRLLVQXZQQPD-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203718;MM203718;C=CC1COC(CO)O1;UJRVWUCRRLDQNT-UHFFFAOYSA-N;130.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203719;MM203719;O=CC1COC(CO)O1;KYGDKGNQMOGBMD-UHFFFAOYSA-N;132.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203720;MM203720;N#CC1COC(CO)O1;POPCHYASCPLJNM-UHFFFAOYSA-N;129.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203721;MM203721;CCC1CCN(C=N)C1;ARPBYDQGNBJDRP-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203722;MM203722;CCC1CCN(C=O)C1;JQAUPPFLASHLEC-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203723;MM203723;N=CN1CCC(CN)C1;IRMBDSKGVAHWRS-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203724;MM203724;NCC1CCN(C=O)C1;RNWXQARYNSCOTH-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203725;MM203725;N=CN1CCC(CO)C1;TXKGFWLGOOPOTP-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203726;MM203726;O=CN1CCC(CO)C1;SRSUPLJBRKDZES-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203727;MM203727;N=CN1CCC(CF)C1;FWZHELJTHZHNOP-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203728;MM203728;O=CN1CCC(CF)C1;FSHISVHMBOZAFP-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203729;MM203729;C=NN1CCC(CC)C1;GWGFGJIREABVEW-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203730;MM203730;C=NN1CCC(CN)C1;HQDQLBADOHOJBA-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203731;MM203731;COC(=N)N(O)CCO;ZDQKTJMYCQVACC-UHFFFAOYSA-N;134.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203732;MM203732;C=NN1CCC(CF)C1;VUSMDZDPHCXWSL-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203733;MM203733;CNC1CCN(C=N)C1;FBZACIZWLTUQNF-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203734;MM203734;CNC1CCN(C=O)C1;XGHDPNMGUYIBFC-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203735;MM203735;C=NN1CCC(NC)C1;OIKLVWUSLCQUDZ-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203736;MM203736;COC1CCN(C=N)C1;DFMZWVMAAOCIQW-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203737;MM203737;COC1CCN(C=O)C1;SGUGSZPSAYGAOV-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203738;MM203738;C=NN1CCC(OC)C1;QDHAHDOLCAVJIL-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203739;MM203739;CCC1CNN(C=N)C1;HUODFTMPNKIJAT-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203740;MM203740;CCC1CNN(C=O)C1;RMZPHCZFUCHUBB-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203741;MM203741;N=CN1CC(CN)CN1;BOFIFMWUFAFUBZ-UHFFFAOYSA-N;128.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203742;MM203742;NCC1CNN(C=O)C1;GJWCRDMEWQYQAX-UHFFFAOYSA-N;129.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203743;MM203743;N=CN1CC(CO)CN1;YAWNYUJGTBOMKN-UHFFFAOYSA-N;129.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203744;MM203744;CC(=NN)N(O)C=CF;MKMADRLNMURPLE-UHFFFAOYSA-N;133.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203745;MM203745;N=CN1CC(CF)CN1;CGOBUPXSMYHPHS-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203746;MM203746;CNC1CNN(C=N)C1;SCBFKCZLEWZYIY-UHFFFAOYSA-N;128.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203747;MM203747;CNC1CNN(C=O)C1;WWAQZEAMCSDWRO-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203748;MM203748;COC1CNN(C=N)C1;UEOXMFRITIGJPH-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203749;MM203749;COC1CNN(C=O)C1;PYTIINZIGVZMSX-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203750;MM203750;CCC1CON(C=O)C1;CJCIRJHVZOEQFE-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203751;MM203751;N=CN1CC(CN)CO1;IQJNXLMDWXTKRF-UHFFFAOYSA-N;129.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203752;MM203752;NCC1CON(C=O)C1;DVLORXHMBJJDPG-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203753;MM203753;O=CN1CC(CO)CO1;JNIWBCSGBMFVTH-UHFFFAOYSA-N;131.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203754;MM203754;CNC1CON(C=O)C1;SCVAIRXCXXXJGT-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203755;MM203755;COC1CON(C=O)C1;NPOMXWKKAHLMKA-UHFFFAOYSA-N;131.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203756;MM203756;CCC1CCN(C=N)N1;FXEQQOQGMDFRQK-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203757;MM203757;CCC1CCN(C=O)N1;AVCBUAKDKXAHTN-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203758;MM203758;N=CN1CCC(CN)N1;QFVRQWHWCPTQAT-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203759;MM203759;NCC1CCN(C=O)N1;RLJDEFAHAWJYRE-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203760;MM203760;N=CN1CCC(CO)N1;OJTNZLMSXRUUEN-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203761;MM203761;CNN=C(CF)C(C)O;CPJYJGWTHZGTGJ-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203762;MM203762;N=CN1CCC(CF)N1;KBWUPNCERQJPTR-UHFFFAOYSA-N;131.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203763;MM203763;O=CN1CCC(CF)N1;HDTAOPWENSVCBG-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203764;MM203764;CCC1CCN(C=O)O1;SHCZQZCSYMJPKP-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203765;MM203765;O=CN1CCC(CO)O1;OPLGZSPOJXHVAS-UHFFFAOYSA-N;131.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203766;MM203766;COC1CCN(C=O)O1;MLEFWMSRRZZOPD-UHFFFAOYSA-N;131.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203767;MM203767;C=CC1CCN(CC)C1;IYHATTDHDMDPDM-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203768;MM203768;CCN1CCC(C=O)C1;MFWSUINTUGOCRD-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203769;MM203769;C#CC1CCC(CC)C1;BCLDOMAFKILUKO-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203770;MM203770;C#CC1CCC(CN)C1;AANOZNRFOKALMU-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203771;MM203771;CC1=CN(O)C(=N)C1=O;GEZQTBCDKIGFJF-UHFFFAOYSA-N;126.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203772;MM203772;C#CC1CCC(CF)C1;BMGRWEHORYONCG-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203773;MM203773;C#CC1CCC(NC)C1;OGLRWOYLRLHWSD-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203774;MM203774;C#CC1CCC(OC)C1;LEDJTEFGJRIGIX-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203775;MM203775;C#CC1CC(CC)CN1;YVJPRBGWRAZPKC-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203776;MM203776;C#CC1CC(CN)CN1;ZQBSMCVSVNZNPE-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203777;MM203777;C#CC1CC(CO)CN1;SLSWCPRQEYYARQ-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203778;MM203778;C#CC1CC(CF)CN1;VLKCPTKOQWCOQC-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203779;MM203779;C#CC1CC(NC)CN1;FQSDARASJSQQSW-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203780;MM203780;C#CC1CC(OC)CN1;WDPRKHVBWNIMIF-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203781;MM203781;C#CC1CC(CC)CO1;ROOKRTXGWWBAMN-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203782;MM203782;C#CC1CC(CN)CO1;ICTPIZZKJWTUNZ-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203783;MM203783;C#CC1CC(CO)CO1;GPTVZBADSMGBJR-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203784;MM203784;C#CC1CC(NC)CO1;BODQHHUQZMJMBJ-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203785;MM203785;C#CC1CC(OC)CO1;ILUHPHGWXWEWTH-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203786;MM203786;C#CC1CNC(CC)C1;HOQCBDMRAPRJGC-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203787;MM203787;C#CC1CNC(CN)C1;LZTSAAYBVDMAFS-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203788;MM203788;C#CC1CNC(CO)C1;KVWARMSWUKZYLH-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203789;MM203789;C#CC1COC(CC)C1;SNKBTQJABMFPRK-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203790;MM203790;C#CC1COC(CN)C1;WEHPIBATLMETML-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203791;MM203791;C#CC1COC(CO)C1;AOBRCCWHHOOFJB-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203792;MM203792;C#CC1COC(OC)C1;KXKVDHMNIGNBAP-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203793;MM203793;C#CC1CCC(CC)N1;OSAXBRNUMRIWLK-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203794;MM203794;C#CC1CCC(CN)N1;OZFPIUWTWKPNHH-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203795;MM203795;C#CC1CCC(CO)N1;WFCYHBDKHOYXBI-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203796;MM203796;C#CC1CCC(CF)N1;NOCQQAYQGDFTKG-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203797;MM203797;C#CC1CCC(CC)O1;URKAAQVKPWFTFG-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203798;MM203798;C#CC1CCC(CN)O1;SXIWSLMZSMWGKK-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203799;MM203799;C#CC1CCC(CO)O1;NKTFGQNHOGPTFW-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203800;MM203800;C#CC1CCC(CF)O1;FGDCCCATFOBPEZ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203801;MM203801;C#CC1CCC(OC)O1;CNPFXGRYVHVXEL-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203802;MM203802;C#CC1OCC(CC)O1;DALAQYYVAVSAIK-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203803;MM203803;C#CC1OCC(CN)O1;FTTAVMHMYXEWSI-UHFFFAOYSA-N;127.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203804;MM203804;C#CC1OCC(CO)O1;WKBYVMQYRGGQPF-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203805;MM203805;C#CC1OCC(OC)O1;QFEMJTVHCWEOKP-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203806;MM203806;C#CC1COC(CC)O1;WXXOQPCTNYCDGA-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203807;MM203807;C#CC1COC(CN)O1;MSYSNJQCHMYSKI-UHFFFAOYSA-N;127.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203808;MM203808;C#CC1COC(CO)O1;COBVYQSNPOSXRE-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203809;MM203809;C#CC1CCN(CC)C1;KLZBNHYBJBXWIC-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203810;MM203810;C=CC1CCC(C=C)C1;HLGOWXWFQWQIBW-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203811;MM203811;C=CC1CCC(C=O)C1;HAYSGHBJIHLNRK-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203812;MM203812;C=CC1CCC(C#N)C1;HSRRGAOQKODFKE-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203813;MM203813;O=CC1CCC(C=O)C1;JWWOLXQVNVCQSJ-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203814;MM203814;N#CC1CCC(C=O)C1;AWXZMPOLKTUWKQ-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203815;MM203815;N#CC1CCC(C#N)C1;WTCVYLHHOIARML-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203816;MM203816;C=CC1CNC(C=C)C1;FMPIBMHXWKXWPI-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203817;MM203817;C=CC1CNC(C=O)C1;KNYQDOSKGLJHGF-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203818;MM203818;C=CC1CC(C=O)CN1;BFLCMGZCRGQBSZ-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203819;MM203819;O=CC1CNC(C=O)C1;POOVLGKCZWAHJR-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203820;MM203820;CN1CC1CC(F)C=O;CEBIWMCLWAIIAO-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203821;MM203821;N#CC1CNC(C#N)C1;GIXMCDQBHCKDOE-UHFFFAOYSA-N;121.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203822;MM203822;C=CC1COC(C=C)C1;LRSNYQCSNMVPIP-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203823;MM203823;C=CC1COC(C=O)C1;ULHJWUAXIDCOBJ-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203824;MM203824;C=CC1COC(C#N)C1;WLZOMWNIDRUFHC-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203825;MM203825;C=CC1CC(C=O)CO1;DHIVSVWGUXRZMH-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203826;MM203826;C=CC1CC(C#N)CO1;PYUWPAYNBZCTCL-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203827;MM203827;O=CC1COC(C=O)C1;JCZKCULZGTVHHG-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203828;MM203828;N#CC1COC(C=O)C1;KZYBWKIETHAWFD-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203829;MM203829;N#CC1CC(C=O)CO1;WQTCRJMFCQGMNJ-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203830;MM203830;N#CC1COC(C#N)C1;ZWPDTDPLTKAOAP-UHFFFAOYSA-N;122.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203831;MM203831;C=CC1CCC(C=C)N1;GUWJFZFFFDYZHW-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203832;MM203832;C=CC1CCC(C=O)N1;ZROLTBGEVUEJHU-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203833;MM203833;C=CC1CCC(C#N)N1;TUNSVKYTRSPLGR-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203834;MM203834;N=C1N=C(CO)NC1=N;YIAOGSWPHUVSTE-UHFFFAOYSA-N;126.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203835;MM203835;N#CC1CCC(C#N)N1;SPUVQIMVLPIAFV-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203836;MM203836;C=CC1CCC(C=C)O1;LGFJQMUFLKKSLZ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203837;MM203837;C=CC1CCC(C=O)O1;AOANOBKIVDYWMH-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203838;MM203838;C=CC1CCC(C#N)O1;PVMXLHAEKIXMNE-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203839;MM203839;O=CC1CCC(C=O)O1;HAOYDCSWMDWMGF-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203840;MM203840;N#CC1CCC(C=O)O1;CCSJJRFCZFLZLN-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203841;MM203841;C=CC1COC(C=C)O1;NPRHKCGWXJPTIE-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203842;MM203842;C=CC1COC(C=O)O1;LJRZZFKOHHKBCW-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203843;MM203843;C=CC1COC(C#N)O1;SVWWRLPLCKWZPX-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203844;MM203844;C=CC1OCC(C=O)O1;JZNUNVBTIYKWJS-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203845;MM203845;C=CC1OCC(C#N)O1;ILGZCXVPKNYEAU-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203846;MM203846;O=CC1COC(C=O)O1;OOFSKMVJEZTDGS-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203847;MM203847;N#CC1COC(C=O)O1;AKOSENGSMGGTBR-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203848;MM203848;N#CC1OCC(C=O)O1;RUBKXKZUURRNOC-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203849;MM203849;N#CC1COC(C#N)O1;PTFHFXPBQWNADM-UHFFFAOYSA-N;124.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203850;MM203850;C=CC1CCN(C=N)C1;WMHMGTLPGDYYLP-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203851;MM203851;C=CC1CCN(C=O)C1;QVFUTULZKMTTRV-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203852;MM203852;N=CN1CCC(C=O)C1;MXXNFWIDCZEPIE-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203853;MM203853;N#CC1CCN(C=N)C1;IKFMCVGORBRORS-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203854;MM203854;NN=c1ccn(O)n1N;RBNQCOWTZABIPP-UHFFFAOYSA-N;129.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203855;MM203855;N#CC1CCN(C=O)C1;PALSDOUSLKKPTM-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203856;MM203856;C=CC1CCN(N=C)C1;BIFUYEAUVIUARP-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203857;MM203857;Cc1c(CO)ncn1C;RJHNAUYZKXBDCF-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203858;MM203858;C=NN1CCC(C#N)C1;ZDCRAGQNYDPRIG-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203859;MM203859;C=CC1CNN(C=N)C1;QQJVBORZOILRPF-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203860;MM203860;C=CC1CNN(C=O)C1;ACLOAHUEMCMZFT-UHFFFAOYSA-N;126.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203861;MM203861;N=CN1CC(C=O)CN1;YFHHANYITOLYOM-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203862;MM203862;N#CC1CNN(C=N)C1;SGOLKBDOSFXLEX-UHFFFAOYSA-N;124.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203863;MM203863;C#CCC(O)C1CN1C;VZXBGIQEJSHJSI-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203864;MM203864;N#CC1CNN(C=O)C1;MNBPKOLVIFUNQO-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203865;MM203865;C=CC1CON(C=O)C1;ALWQYQNUHOZARL-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203866;MM203866;O=CC1CON(C=O)C1;ADLXGZYWAWHPMS-UHFFFAOYSA-N;129.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203867;MM203867;N#CC1CON(C=O)C1;HZLVCVHTWLDXND-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203868;MM203868;C=CC1CCN(C=N)N1;QSFXOFKWVRDMLC-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203869;MM203869;C=CC1CCN(C=O)N1;WZXZJFRJXPMZSY-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203870;MM203870;N=CN1CCC(C=O)N1;WCBGIHLLEPFTPI-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203871;MM203871;N#CC1CCN(C=N)N1;HWYSGTYIDGPQKE-UHFFFAOYSA-N;124.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203872;MM203872;N=CN(C=O)C(=N)CO;AZTMQOFTFSKTST-UHFFFAOYSA-N;129.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203873;MM203873;N#CC1CCN(C=O)N1;NEIKQWXGNNMEOO-UHFFFAOYSA-N;125.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203874;MM203874;C=CC1CCN(C=O)O1;XJCUJHIYOYBCTM-UHFFFAOYSA-N;127.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203875;MM203875;N#CC1CCN(C=O)O1;ZHZALUHVCXULHA-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203876;MM203876;C#CC1CCC(C=C)C1;LPXFKPRDWVZGFH-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203877;MM203877;C#CC1CCC(C=O)C1;TVTVOMKQUSXLFI-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203878;MM203878;C#CC1CCC(C#N)C1;BQTLWGSKOLGLMN-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203879;MM203879;C#CC1CC(C=C)CN1;CMBHSUVZTUBKRK-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203880;MM203880;C#CC1CC(C=O)CN1;RHTSOOWCBKCBQL-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203881;MM203881;C#CC1CC(C=C)CO1;DVBJZGHEOYOIAD-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203882;MM203882;C#CC1CC(C=O)CO1;SQDNMUXIQTUEQB-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203883;MM203883;C#CC1CC(C#N)CO1;FYQHXVDGOCMCCE-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203884;MM203884;C#CC1CNC(C=C)C1;HCNUVIQMJLZRLD-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203885;MM203885;C#CC1CNC(C=O)C1;GEKJATBCUZAOHY-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203886;MM203886;C#CC1CNC(C#N)C1;FQNYJMBMJXSVED-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203887;MM203887;C#CC1COC(C=C)C1;ACSHRYSOJXUVBV-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203888;MM203888;C#CC1COC(C=O)C1;YKZMHRFLOBCVKG-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203889;MM203889;C#CC1COC(C#N)C1;REXWTOSWWQXWHN-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203890;MM203890;C#CC1CCC(C=C)N1;DQOMLGFVDCOGKS-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203891;MM203891;C#CC1CCC(C#N)N1;PQESSNBQYNKIEW-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203892;MM203892;C#CC1CCC(C=C)O1;UUAVBEZNTVXSMP-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203893;MM203893;C#CC1CCC(C=O)O1;IJVRKCIZDYGZLW-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203894;MM203894;C#CC1CCC(C#N)O1;DHUUGTJMHMRXIJ-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203895;MM203895;C#CC1OCC(C=C)O1;AYPDTPFADNKIGO-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203896;MM203896;C#CC1OCC(C=O)O1;CCXGOKXCSYDASI-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203897;MM203897;C#CC1OCC(C#N)O1;IXOZXAKGEUHQNP-UHFFFAOYSA-N;123.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203898;MM203898;C#CC1COC(C=C)O1;WEBNGVCLJGDBMB-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203899;MM203899;C#CC1COC(C=O)O1;LSZWXCQXSUBDLL-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203900;MM203900;C#CC1COC(C#N)O1;UFZLARXZKCZJNA-UHFFFAOYSA-N;123.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203901;MM203901;C#CC1CCN(C=N)C1;FNZKULPUIMSLFX-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203902;MM203902;C#CC1CCN(C=O)C1;KZAIQZXEFWTHMQ-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203903;MM203903;C#CC1CCN(N=C)C1;SSBOQCZUHBFNPP-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203904;MM203904;C#CC1CNN(C=N)C1;HARTWRXWWQJOFV-UHFFFAOYSA-N;123.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203905;MM203905;C#CC1CNN(C=O)C1;CFDGSLHHEMKQIY-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203906;MM203906;C#CC1CON(C=O)C1;XVHCLKTZZDXOFD-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203907;MM203907;C#CC1CCN(C=N)N1;ONRCDHPMOZJONT-UHFFFAOYSA-N;123.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203908;MM203908;C#CC1CCN(C=O)N1;BGGSOMYOPAZKHO-UHFFFAOYSA-N;124.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203909;MM203909;C#CC1CCN(C=O)O1;RTADXSUSIXGRBW-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203910;MM203910;C#CC1CCC(C#C)C1;KIOHSUSHLMMKAX-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203911;MM203911;C#CC1CNC(C#C)C1;PYNHNXACRLEZCJ-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203912;MM203912;C#CC1COC(C#C)C1;UIYLYAWHGNLQAA-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203913;MM203913;C#CC1CCC(C#C)N1;RIRDKTACCDWKGL-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203914;MM203914;C#CC1CCC(C#C)O1;VJMNULFULZGIRY-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203915;MM203915;C#CC1COC(C#C)O1;BISGNXAMQCUTCE-UHFFFAOYSA-N;122.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203916;MM203916;CC=C1CCC(CC)C1;RKSDNSZNTLLPHQ-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203917;MM203917;CCC1CCC(=CF)C1;QGKCABVZXQSWDP-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203918;MM203918;CC=C1CCC(CN)C1;AMZYVIOZUYISAM-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203919;MM203919;NCC1CCC(=CF)C1;GEPUMLOZRZGEDV-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203920;MM203920;NN=C(CO)NC=CF;RHJYNZWVRLUYCI-UHFFFAOYSA-N;133.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203921;MM203921;CCc1cc(NO)n[nH]1;IVNUZZFWWUJFQM-UHFFFAOYSA-N;127.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203922;MM203922;CC=C1CCC(CF)C1;XELJFSOWTFDNJF-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203923;MM203923;FC=C1CCC(CF)C1;DCTJJDXTAKZKID-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203924;MM203924;CCC1CCC(=NN)C1;AEJWXQYMDMZZEY-UHFFFAOYSA-N;126.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203925;MM203925;CCC1CCC(=NO)C1;WVDCOSORLJXKOX-UHFFFAOYSA-N;127.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203926;MM203926;NCC1CCC(=NO)C1;JIIJHRYZVKJVPW-UHFFFAOYSA-N;128.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203927;MM203927;OCC(O)CCN1CC1;XMCSLBRZXJGBBS-UHFFFAOYSA-N;131.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203928;MM203928;OCC1CCC(=NO)C1;AWBQOHRDIURBQF-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203929;MM203929;NN=C1CCC(CF)C1;FYOOBMYMJWTLGI-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203930;MM203930;ON=C1CCC(CF)C1;MVMPIIKJXHTNOM-UHFFFAOYSA-N;131.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203931;MM203931;CC=C1CCC(NC)C1;MTHPMOFFMSBNNK-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203932;MM203932;CNC1CCC(=CF)C1;QSWVFGNCYIZTIX-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203933;MM203933;CNC1CCC(=NN)C1;AVLQHTOTSHAIMY-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203934;MM203934;CNC1CCC(=NO)C1;KQEQWEBHAIWDCQ-UHFFFAOYSA-N;128.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203935;MM203935;CC=C1CCC(OC)C1;FHGBDKTWJPLEOI-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203936;MM203936;COC1CCC(=CF)C1;DXUPATVROUNSKS-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203937;MM203937;COC1CCC(=NN)C1;QMQKXMAUQPAHAX-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203938;MM203938;COC1CCC(=NO)C1;HGGGKIVWMQZAKP-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203939;MM203939;CCC1CN=C(NC)C1;NVCAZENWICCRBZ-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203940;MM203940;CCC1CN=C(NN)C1;KIRQSXLKUUZBKS-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203941;MM203941;CCC1CN=C(NO)C1;AYCYJCRBMOIZLT-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203942;MM203942;CN=C1CC(CN)CN1;IMTUFBIJJBIRHY-UHFFFAOYSA-N;127.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203943;MM203943;NCC1CN=C(NO)C1;IHHSXGYMEVBZJO-UHFFFAOYSA-N;129.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203944;MM203944;NN=C1CC(CO)CN1;BFYUAROKBCCXOS-UHFFFAOYSA-N;129.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203945;MM203945;OCC1CN=C(NO)C1;ZQDOMBOSVOZOLL-UHFFFAOYSA-N;130.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203946;MM203946;CN=C1CC(CF)CN1;MPESFMSJGHJNBG-UHFFFAOYSA-N;130.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203947;MM203947;NN=C1CC(CF)CN1;YLFFEDXKEVETFK-UHFFFAOYSA-N;131.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203948;MM203948;CC(C=CN)=NOC(N)=O;DFZVFLHHRMEAMS-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203949;MM203949;CNC1=NCC(NC)C1;RBXLHDGRNJVXRQ-UHFFFAOYSA-N;127.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203950;MM203950;CNC1CNC(=NN)C1;ATMWZRAZWHPOBE-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203951;MM203951;CNC1CN=C(NO)C1;BJHGLUSLBHLREB-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203952;MM203952;CNC1=NCC(OC)C1;NQCVORGCLKNJTE-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203953;MM203953;COC1CN=C(NN)C1;NXTMTGRQKOWBOZ-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203954;MM203954;CC=C1CC(CC)CO1;XNRAMESIECNTHD-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203955;MM203955;CCC1COC(=CF)C1;GKRCMUOPJKCZAF-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203956;MM203956;CC=C1CC(CN)CO1;JTBZNNOKRPFZBX-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203957;MM203957;NCC1COC(=CF)C1;MBPGRBBRSTXVHJ-UHFFFAOYSA-N;131.15;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203958;MM203958;CC=C1CC(CO)CO1;CONQPNPTNATHLH-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203959;MM203959;OCC1COC(=CF)C1;GXBOGRDECGFNJG-UHFFFAOYSA-N;132.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203960;MM203960;CC=C1CC(CF)CO1;AAJGQHNUAPSZCS-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203961;MM203961;FC=C1CC(CF)CO1;STRIDWJOWSFKJL-UHFFFAOYSA-N;134.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203962;MM203962;CC(F)=CN(O)C(C)=NN;HGFLOIUZFPGNMT-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203963;MM203963;CCC1COC(=NO)C1;ANULBTJTKHFZBD-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203964;MM203964;NCC1COC(=NO)C1;QJWKBGPGJCMYNK-UHFFFAOYSA-N;130.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203965;MM203965;C=NOCCC(=C)NC=O;HNHLCLGSVVRSGR-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203966;MM203966;OCC1COC(=NO)C1;WPMMIBDBFCWPCF-UHFFFAOYSA-N;131.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203967;MM203967;CC=NN=CN(O)C=NN;UZZSKSVJSNGYNG-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203968;MM203968;ON=C1CC(CF)CO1;OIQJWRXLYYHXSM-UHFFFAOYSA-N;133.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203969;MM203969;CC=C1CC(NC)CO1;CKNXHAMUMAIZDD-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203970;MM203970;CNC1COC(=CF)C1;SKLSZCNKPVGJNK-UHFFFAOYSA-N;131.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203971;MM203971;CNC1COC(=NN)C1;ZDTHNUCMPXUTNL-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203972;MM203972;CNC1COC(=NO)C1;OKARPOKKLLJLGO-UHFFFAOYSA-N;130.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203973;MM203973;CC=C1CC(OC)CO1;NDESRGASYJAAJE-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203974;MM203974;COC1COC(=CF)C1;OSEPPLNTCMJRAQ-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203975;MM203975;CCOC(=N)N(O)CCO;QKHHLCFTGQXWDF-UHFFFAOYSA-N;148.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203976;MM203976;COC1COC(=NO)C1;PVMCRCVSUMRWMP-UHFFFAOYSA-N;131.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203977;MM203977;CC=C1CNC(CC)C1;QTYKZJDRMWNNOL-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203978;MM203978;CCC1CC(=CF)CN1;GBKDTFLWMFUKQP-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203979;MM203979;CC=C1CNC(CN)C1;SAEAMZUIGGYURF-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203980;MM203980;NCC1CC(=CF)CN1;BMGBJVULVOILMF-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203981;MM203981;CC=C1CNC(CO)C1;CDKRFXATEMXGMH-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203982;MM203982;OCC1CC(=CF)CN1;NXXJPZUHASUBSU-UHFFFAOYSA-N;131.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203983;MM203983;CC=C1CNC(CF)C1;KRRVRIPXCTZNDW-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203984;MM203984;FC=C1CNC(CF)C1;CSFJKXSQMBRZQV-UHFFFAOYSA-N;133.14;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203985;MM203985;CCC1CC(=NN)CN1;NDURWRKMJRGHFU-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203986;MM203986;CCC1CC(=NO)CN1;IDYTXMGELHWNLY-UHFFFAOYSA-N;128.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203987;MM203987;NCC1CC(=NO)CN1;ZRRUIDMFMVFHSR-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203988;MM203988;OCC1CC(=NO)CN1;DAXJDWPUPOGBJR-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203989;MM203989;CCC1CC(NC)=NN1;OMICXRLKLLJCJW-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203990;MM203990;COCC(=N)N(O)C=CF;NNIRFGLAHASONR-UHFFFAOYSA-N;148.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203991;MM203991;CN=C1CC(CN)NN1;RJQDPPWRFUWTEV-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203992;MM203992;NCC1CC(=NO)NN1;LXFUUYPQQZEICS-UHFFFAOYSA-N;130.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203993;MM203993;CN=C1CC(CO)NN1;JAPRETFBBIKWJY-UHFFFAOYSA-N;129.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203994;MM203994;C=CCC(C=NN)C(N)=O;RIHKCQZGEPONIV-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203995;MM203995;CN=C1CC(CF)NN1;BETITOARXNAFLU-UHFFFAOYSA-N;131.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203996;MM203996;CNN=C(C(C)O)C(C)F;ZKVYDWNMXXAGQY-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203997;MM203997;CC=C1COC(CC)C1;JQTVPAXKJURGEI-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203998;MM203998;CCC1CC(=CF)CO1;MXDLPZRVTRMQNT-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM203999;MM203999;CC=C1COC(CN)C1;FQEIFYPYWTYXBJ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204000;MM204000;NCC1CC(=CF)CO1;FHMUOKZAUHXLFC-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204001;MM204001;CC=C1COC(CO)C1;WBUFFVSWOADZOP-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204002;MM204002;OCC1CC(=CF)CO1;PSSUWCUHCCEGTG-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204003;MM204003;CC=C1COC(CF)C1;CDBDLCLZYOCTKA-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204004;MM204004;FC=C1COC(CF)C1;WAMSQAFRJKCCSL-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204005;MM204005;CCC1CC(=NN)CO1;KHVIEWSRPCQIDV-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204006;MM204006;CCC1CC(=NO)CO1;FDBZGGXGOPYWAX-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204007;MM204007;NCC1CC(=NO)CO1;QPZCSIFPDDMDPG-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204008;MM204008;Cn1cc(CC#N)cc1N;FVFNMSZVMUZHLI-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204009;MM204009;OCC1CC(=NO)CO1;GMPPVUDRWQBZHC-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204010;MM204010;NN=C1COC(CF)C1;HLVJKFWHMNYDLW-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204011;MM204011;ON=C1COC(CF)C1;FZQQPBOPZLFDIY-UHFFFAOYSA-N;133.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204012;MM204012;CC=C1COC(OC)C1;SKNHPZAMFBYKDH-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204013;MM204013;COC1CC(=CF)CO1;QCVHRWFNICCXPR-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204014;MM204014;COC1CC(=NN)CO1;DBWFBDIVCUDMFP-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204015;MM204015;COC1CC(=NO)CO1;SZZLXXNKVMKHCV-UHFFFAOYSA-N;131.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204016;MM204016;Cc1nc(=N)c(F)cn1O;NFPVLJUQZSMQDK-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204017;MM204017;CNN=CC(O)CCC=O;SHZCOVTURXRHSE-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204018;MM204018;CN=C1CC(CN)ON1;MOVJBZJXNNWWLL-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204019;MM204019;NCC1CC(NO)=NO1;GGULSCGJXIPJPA-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204020;MM204020;NN=C(N)C(=O)NCCO;GYMPLIFRQLVVPB-UHFFFAOYSA-N;146.15;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204021;MM204021;CC=NNCCC(O)CO;FFGUKYMDYOZNAP-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204022;MM204022;CNC1=NOC(OC)C1;BLRAURJLUPYPJW-UHFFFAOYSA-N;130.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204023;MM204023;COC=NOCC(F)CO;TXKIHYOUKKPEKJ-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204024;MM204024;CCC1CCC(=NC)N1;MIGGQSLEZRMTOV-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204025;MM204025;CCC1CCC(=NN)N1;ZFZSNFNRSJJMPW-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204026;MM204026;C=CC=NOCC(F)CO;MEBYONFGQUWZKJ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204027;MM204027;CN=C1CCC(CN)N1;OVQYENIRZSCTMZ-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204028;MM204028;CN=C1CCC(CO)N1;HKJBXFOCGOFMDB-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204029;MM204029;NN=C1CCC(CO)N1;XYCSMMWPKDENBV-UHFFFAOYSA-N;129.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204030;MM204030;CN=C1CCC(CF)N1;RHLSUVDIAFWQMR-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204031;MM204031;NN=C1CCC(CF)N1;MYSNPAMFFIZDFU-UHFFFAOYSA-N;131.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204032;MM204032;CC(=NN)OCC#CCO;PQVMBCWSLQTQIQ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204033;MM204033;CCC1CNC(=NC)N1;ODCBEKPXGLUBST-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204034;MM204034;CCC1CNC(=NN)N1;ZMBAKAOAEYJBFJ-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204035;MM204035;CN=C1NCC(CN)N1;MLVSFSZEWSLNHN-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204036;MM204036;CN=C1NCC(CO)N1;IXBWQPRVBPASDX-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204037;MM204037;NN=C1NCC(CO)N1;KRVSAYKFGNJFMZ-UHFFFAOYSA-N;130.15;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204038;MM204038;CN=C1NCC(CF)N1;HGDOKVHYSYPWPS-UHFFFAOYSA-N;131.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204039;MM204039;NN=C1NCC(CF)N1;JOHLKJWBEKYBGO-UHFFFAOYSA-N;132.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204040;MM204040;CCCC=NNC(=N)CO;OETCKLZCQYXUNI-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204041;MM204041;CCC1COC(=NO)N1;FQKSOTBCSWPCHI-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204042;MM204042;CC=CC=NNC(=N)CO;SFKGUMOBQYNHKG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204043;MM204043;OCC1COC(=NO)N1;CUSKRFLKDWGIRP-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204044;MM204044;CC#CC=NNC(=N)CO;VXSAPJLQHDBUFX-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204045;MM204045;ON=C1NC(CF)CO1;HIWVWGRWCXEXLI-UHFFFAOYSA-N;134.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204046;MM204046;CC=C1CCC(CC)O1;HNGWEEQCVZJUQD-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204047;MM204047;CCC1CCC(=CF)O1;BYXXJHMGHWAVMT-UHFFFAOYSA-N;130.16;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204048;MM204048;CC=C1CCC(CN)O1;LURVSUHNZJEAEA-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204049;MM204049;NCC1CCC(=CF)O1;AXYDEZLVTRHBOV-UHFFFAOYSA-N;131.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204050;MM204050;CC=C1CCC(CO)O1;YPEUAHDFCQIVRS-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204051;MM204051;OCC1CCC(=CF)O1;XSWYKRYPRAHGQN-UHFFFAOYSA-N;132.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204052;MM204052;CC=C1CCC(CF)O1;GZGSMYRTWYOWEC-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204053;MM204053;FC=C1CCC(CF)O1;NKHROINOEQOISJ-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204054;MM204054;CCC(O)C=NNCCO;CYSNJISYSTXIJS-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204055;MM204055;CCC1CCC(=NO)O1;IAPBUNKFJOFSFU-UHFFFAOYSA-N;129.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204056;MM204056;NCC1CCC(=NO)O1;SROFQMOPUULIBW-UHFFFAOYSA-N;130.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204057;MM204057;COCC(=CF)N(O)C=N;MSQNAGQXUOUBQE-UHFFFAOYSA-N;148.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204058;MM204058;OCC1CCC(=NO)O1;CTXQMXGUHXCPQZ-UHFFFAOYSA-N;131.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204059;MM204059;C=CN(N)C(=NOC)NO;WIVZLTRJQXYVQU-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204060;MM204060;ON=C1CCC(CF)O1;AGDVWZKYBIJPDC-UHFFFAOYSA-N;133.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204061;MM204061;CC=C1CCC(OC)O1;ZTJMVEXRHMOMTH-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204062;MM204062;COC1CCC(=CF)O1;GUJDYKUDVAFGLM-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204063;MM204063;N=CN(O)C(C=O)=CCO;OTTOWHDWJSFEFR-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204064;MM204064;COC1CCC(=NO)O1;OUIBKLRXTKDWKK-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204065;MM204065;C=C(C)N(C=O)C(=N)CO;MEQFCKOAJXARBT-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204066;MM204066;CCC1CNC(=NO)O1;AEPYYGHFYCJZGO-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204067;MM204067;CN=C1NCC(CN)O1;RMIVZOBBNNALNS-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204068;MM204068;NCC1CNC(=NO)O1;QHZDJHBOPZPJIU-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204069;MM204069;CC(O)C(C#N)NCC=O;HJMNJPYKANFARA-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204070;MM204070;OCC1CNC(=NO)O1;IAUYZIFOWNVLGX-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204071;MM204071;CC(O)C(C#N)NCC#N;MPCRVVBQCVOTOZ-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204072;MM204072;ON=C1NCC(CF)O1;AZTHINCGJKRWGI-UHFFFAOYSA-N;134.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204073;MM204073;Cc1c(F)c(=N)ncn1O;CYAWZECLIQHNSB-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204074;MM204074;COC1CNC(=NO)O1;WVKMWKUDDXOUQS-UHFFFAOYSA-N;132.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204075;MM204075;N=c1cc(C=O)n(O)cn1;HSUUGUMHYSLCEI-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204076;MM204076;CCC1COC(=NO)O1;RKAOVYQOHHWPIW-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204077;MM204077;NCC1COC(=NO)O1;JQHKBMLLVMCAAS-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204078;MM204078;N=c1ccn(O)c(C=O)n1;XIYYCLGLSYIQFL-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204079;MM204079;N=c1nnc(N)c(CO)o1;JEIGPSVOQOTVGU-UHFFFAOYSA-N;142.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204080;MM204080;CON=CN=C(CO)NN;ANBPPJJRXGVDKO-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204081;MM204081;CC=C1COC(CC)O1;AMRXKHRYACHMPI-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204082;MM204082;CCC1OCC(=CF)O1;VOZBWPKSXYPLTO-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204083;MM204083;CC=C1COC(CN)O1;MXPWDUXXURQVRK-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204084;MM204084;NCC1OCC(=CF)O1;GSWDEWOVOPBOBF-UHFFFAOYSA-N;133.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204085;MM204085;CC=C1COC(CO)O1;IFHWFJBSMBKLSA-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204086;MM204086;OCC1OCC(=CF)O1;OSGIQXALWACHCI-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204087;MM204087;CCC(C=CNC=O)=NN;ULGHJIFUAYQJPL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204088;MM204088;CCC1OCC(=NO)O1;TXQCJOJMJYYSQB-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204089;MM204089;NCC1OCC(=NO)O1;DOIVDDCLBLYNSW-UHFFFAOYSA-N;132.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204090;MM204090;NN=C1COC(CO)O1;PREUDNDGCSXHPA-UHFFFAOYSA-N;132.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204091;MM204091;OCC1OCC(=NO)O1;BYSAWWJIJZWBIV-UHFFFAOYSA-N;133.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204092;MM204092;CN=C(OC)N(O)CCO;XUUBOAXXKILFIL-UHFFFAOYSA-N;148.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204093;MM204093;OCC1(ON=CNO)CC1;IAIGPXWGDVEMGQ-UHFFFAOYSA-N;146.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204094;MM204094;CCC1ONC(=NO)O1;ORAIDZVOWBXGKP-UHFFFAOYSA-N;132.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204095;MM204095;OCC1ONC(=NO)O1;LIXFGAIQTPFGLO-UHFFFAOYSA-N;134.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204096;MM204096;CC=C1CCN(CC)C1;IJVGETRSCJGYRO-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204097;MM204097;CCN1CCC(=CF)C1;TUTYHLJWBRLVCG-UHFFFAOYSA-N;129.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204098;MM204098;CCN1CCC(=NC)N1;QNKPYQPTBOURAP-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204099;MM204099;N#Cc1cn(O)c(=N)cn1;WIILXSRCSADWPY-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204100;MM204100;C=CC1CCC(=CC)C1;XLULMZGRANCYTL-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204101;MM204101;C=CC1CCC(=CF)C1;WEKGCOVVNCQXPS-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204102;MM204102;CC=C1CCC(C=O)C1;UJFFIEBKYCPSHK-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204103;MM204103;CC=C1CCC(C#N)C1;FYZZIHFGRMQCNQ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204104;MM204104;O=CC1CCC(=CF)C1;WVFXDLSUJIJIBT-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204105;MM204105;N#CC1CCC(=CF)C1;AMFFOMHRRRXPHC-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204106;MM204106;C=CC1CCC(=NN)C1;LTWIGXZBCVSBHA-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204107;MM204107;C=CC1CCC(=NO)C1;WBKGXMLQZRFZKW-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204108;MM204108;O=CC1CCC(=NO)C1;WWLWRKVZIWZIMZ-UHFFFAOYSA-N;127.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204109;MM204109;N#CC1CCC(=NO)C1;SCOYUNRSIUPHRH-UHFFFAOYSA-N;124.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204110;MM204110;C=CC1CNC(=NC)C1;HQGIMZQGUFQCCA-UHFFFAOYSA-N;124.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204111;MM204111;C=CC1CNC(=NN)C1;IGASOKKJZWIHGR-UHFFFAOYSA-N;125.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204112;MM204112;CCCc1cc(NO)n[nH]1;ZECQGUDFMQSYAS-UHFFFAOYSA-N;141.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204113;MM204113;CN=C1CC(C=O)CN1;FWKCWBFJBNCICU-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204114;MM204114;CN=C1CC(C#N)CN1;YLDZXHSVUDRZHE-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204115;MM204115;NN=c1ccc(F)cn1O;JJVGXOCWVPZHPN-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204116;MM204116;C=NN1CC2OC2(CO)C1;LBNAIQWKPCLCII-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204117;MM204117;C=CC1COC(=CC)C1;OHBHLPSKIWRINK-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204118;MM204118;C=CC1COC(=CF)C1;RUSIJSDKCAJCGX-UHFFFAOYSA-N;128.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204119;MM204119;CC=C1CC(C=O)CO1;YWOKIHMGYDUTLK-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204120;MM204120;CC=C1CC(C#N)CO1;JINUEFXRKUYRQZ-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204121;MM204121;O=CC1COC(=CF)C1;ZFLWDCOWWIVVTI-UHFFFAOYSA-N;130.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204122;MM204122;N#CC1COC(=CF)C1;BQNYNMYCRNWYSP-UHFFFAOYSA-N;127.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204123;MM204123;NN=CCOCC#CCO;QIQVCUNTXPQSRQ-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204124;MM204124;C=CC1COC(=NO)C1;BLKPCKSJEGIKEA-UHFFFAOYSA-N;127.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204125;MM204125;O=CC1COC(=NO)C1;HBWILJYEFYASIO-UHFFFAOYSA-N;129.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204126;MM204126;N#CC1COC(=NO)C1;MHAJSDOCWFMGGN-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204127;MM204127;C=CC1CC(=CC)CN1;IHVGMHRCNFKEBQ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204128;MM204128;C=CC1CC(=CF)CN1;VJSJSBUTORFDFO-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204129;MM204129;CC=C1CNC(C=O)C1;SYJPMXJPHJVOSH-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204130;MM204130;CC=C1CNC(C#N)C1;MZHUOOVLVAYBNU-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204131;MM204131;N#CC1CC(=CF)CN1;CSVYRDJRUOPFBZ-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204132;MM204132;C=CC1CC(=NO)CN1;ZTLKHSDKDPKKIH-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204133;MM204133;N#CC1CC(=NO)CN1;OCNZLBXBXZHLGL-UHFFFAOYSA-N;125.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204134;MM204134;C=CC1CC(=NC)NN1;SBTLJCQIVCUWCC-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204135;MM204135;CNN=COCC#CCO;QMGYNYYLZPQAPL-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204136;MM204136;CN=C1CC(C=O)NN1;IVQXDEKHLBHSES-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204137;MM204137;CN=C1CC(C#N)NN1;IGVFBXPJJPYTOE-UHFFFAOYSA-N;124.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204138;MM204138;CON=COCC#CCO;XGUDPXAKZQNPAB-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204139;MM204139;N#CC1CC(=NO)NN1;ZYHRNAJSYGTFOQ-UHFFFAOYSA-N;126.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204140;MM204140;C=CC1CC(=CC)CO1;SPRAKRYCBQWPGZ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204141;MM204141;C=CC1CC(=CF)CO1;WUDTZWRDPRLLNA-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204142;MM204142;CC=C1COC(C=O)C1;WKFVCXSVSUNQJW-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204143;MM204143;CC=C1COC(C#N)C1;SAODHNMGNJNHMO-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204144;MM204144;O=CC1CC(=CF)CO1;WLJHJOPFNPTQLS-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204145;MM204145;N#CC1CC(=CF)CO1;ZQNBGMIBAONPEG-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204146;MM204146;C=CC1CC(=NN)CO1;PDMMJSRRBMBLPJ-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204147;MM204147;C=CC1CC(=NO)CO1;OOTSFQJLNGPJOD-UHFFFAOYSA-N;127.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204148;MM204148;O=CC1CC(=NO)CO1;NMRFQQCQOPTFAX-UHFFFAOYSA-N;129.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204149;MM204149;N#CC1CC(=NO)CO1;IEVNULWTUBXBFW-UHFFFAOYSA-N;126.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204150;MM204150;NN=c1c(F)cccn1O;MHURDIDYHMQNAL-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204151;MM204151;C=CC1CC(=NO)NO1;BIQZYGSJCXSCKN-UHFFFAOYSA-N;128.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204152;MM204152;O=CC1CC(=NO)NO1;SPROHXQMOFRMPV-UHFFFAOYSA-N;130.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204153;MM204153;N#CC1CC(=NO)NO1;COUWMQSLQDAUOX-UHFFFAOYSA-N;127.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204154;MM204154;C=CC1CCC(=NC)N1;HXOKUQJBNBVFAF-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204155;MM204155;C=CC1CCC(=NN)N1;MYGSBOYLGYCWMC-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204156;MM204156;C#CC1ON=C(CC)NO1;YDUIJEDBSLTFNG-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204157;MM204157;CN=C1CCC(C=O)N1;ZXKLDEYKPISWCN-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204158;MM204158;CN=C1CCC(C#N)N1;WFDCLRFBRHJVNB-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204159;MM204159;CCN1CC1C1(CO)CO1;LPXNGGOVCLYGFO-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204160;MM204160;N#CC1CCC(=NO)N1;WACPYDNDEKFZJG-UHFFFAOYSA-N;125.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204161;MM204161;C=CC1CNC(=NC)N1;APZIKYZXHAKIDW-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204162;MM204162;C=CC1CNC(=NN)N1;IGVVZDHWSGWXOS-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204163;MM204163;CN=C1NCC(C=O)N1;CEPMFLSLYHYRMV-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204164;MM204164;C=NN1CC1C1(CO)CO1;DYYOTTSGWQZEBZ-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204165;MM204165;N#CC1CNC(=NO)N1;LGPZATYRZVTDEU-UHFFFAOYSA-N;126.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204166;MM204166;Cc1coc(N)n1;VCZJVXLWQTXSPQ-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204167;MM204167;C=CC1COC(=NO)N1;QTLGBDIJDUSBNO-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204168;MM204168;NN=C1CC(O)CO1;KDSDNSKWPFRQMP-UHFFFAOYSA-N;116.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204169;MM204169;N=C1C(=O)C=CN1O;HTHFFOBPWKOJGA-UHFFFAOYSA-N;112.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204170;MM204170;O=CC1COC(=NO)N1;PZIDSSVSTNAWKK-UHFFFAOYSA-N;130.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204171;MM204171;N#CC1COC(=NO)N1;GAASHJDBZRDAFZ-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204172;MM204172;C=CC1CCC(=CC)O1;KSNGXLDZCUSKNR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204173;MM204173;C=CC1CCC(=CF)O1;OSOKDRCTEGRZTF-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204174;MM204174;CC=C1CCC(C=O)O1;BIBYLEFESVHNLW-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204175;MM204175;CC=C1CCC(C#N)O1;HBHMLWCGJFEOMM-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204176;MM204176;O=CC1CCC(=CF)O1;YCEAWHCGUVXTJL-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204177;MM204177;N#CC1CCC(=CF)O1;GLXZEXXEFNGJPJ-UHFFFAOYSA-N;127.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204178;MM204178;C=C1C(=N)N=CN1O;YTFFFKYGTBWKNL-UHFFFAOYSA-N;111.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204179;MM204179;C=CC1CCC(=NO)O1;CQPPYMSXXYBZMT-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204180;MM204180;O=CC1CCC(=NO)O1;JNGSJORRRBWQQF-UHFFFAOYSA-N;129.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204181;MM204181;N#CC1CCC(=NO)O1;WNADGFNOUZXCAW-UHFFFAOYSA-N;126.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204182;MM204182;Cc1n[nH]c(C)c1F;MBXNQRHRCODJIU-UHFFFAOYSA-N;114.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204183;MM204183;C=CC1CNC(=NO)O1;HSKOHNQRNWGQQP-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204184;MM204184;O=CC1CNC(=NO)O1;WMORNDUUFISQRG-UHFFFAOYSA-N;130.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204185;MM204185;N#CC1CNC(=NO)O1;SIAITNZDUWUPMX-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204186;MM204186;NN=CC=CNC=O;FRUQMMZGRQWKOM-UHFFFAOYSA-N;113.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204187;MM204187;C=CC1COC(=NO)O1;UNZPZIHDNPNVIJ-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204188;MM204188;O=CC1COC(=NO)O1;QDGXEGHLESECOB-UHFFFAOYSA-N;131.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204189;MM204189;N#CC1COC(=NO)O1;JDJUIXBJFJHCCC-UHFFFAOYSA-N;128.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204190;MM204190;C=CC1OCC(=CC)O1;ZMHSXEPQQZNBQY-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204191;MM204191;C=CC1OCC(=CF)O1;FRORGGYMMHPHEP-UHFFFAOYSA-N;130.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204192;MM204192;CC=C1COC(C=O)O1;SGMOXWJMFUJWTQ-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204193;MM204193;CC=C1COC(C#N)O1;PWUJVMULYDEQRY-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204194;MM204194;O=CC1OCC(=CF)O1;STVUSJHDLPRXTM-UHFFFAOYSA-N;132.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204195;MM204195;N#CC1OCC(=CF)O1;LVVWUNMTNAYKGC-UHFFFAOYSA-N;129.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204196;MM204196;C=NOC(C)C(C)(C)O;IVCVIZJMKGITPM-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204197;MM204197;C=CC1OCC(=NO)O1;GETFWKUJHCCJPF-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204198;MM204198;O=CC1OCC(=NO)O1;JGTBYZVMZYSMJE-UHFFFAOYSA-N;131.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204199;MM204199;N#CC1OCC(=NO)O1;VEYSDFJQALDYON-UHFFFAOYSA-N;128.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204200;MM204200;CN(O)C(=N)OC(N)=O;SFHQZFBNOGGNIW-UHFFFAOYSA-N;133.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204201;MM204201;CC(C)CC(O)C=NN;UJACJBSWDMGRAU-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204202;MM204202;C=CC1ONC(=NO)O1;MSVLDDDNMQRBQT-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204203;MM204203;CCC(C=NN)C(N)=O;FRXKUUMIZPRXRG-UHFFFAOYSA-N;129.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204204;MM204204;O=CC1ONC(=NO)O1;VZHVQGKYZDONGI-UHFFFAOYSA-N;132.08;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204205;MM204205;CC=C1CCN(C=N)C1;GDMMZTKFTQDPCH-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204206;MM204206;N=CN1CCC(=CF)C1;QKWCVQGUCGEQJS-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204207;MM204207;CC=C1CCN(C=O)C1;MTMIUWUQSCWEAC-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204208;MM204208;O=CN1CCC(=CF)C1;FJWYHVHBWXBWEH-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204209;MM204209;N=CN1CCC(=NN)C1;SCHMGZNCSLIDDT-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204210;MM204210;N=CN1CCC(=NO)C1;OOLSGMDDJIJOQZ-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204211;MM204211;NN=C1CCN(C=O)C1;MJBZTVNMXUGGHN-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204212;MM204212;O=CN1CCC(=NO)C1;HDTZUGUCVVZRNS-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204213;MM204213;C=NN1CCC(=CC)C1;HUSSGYBRNOFQFK-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204214;MM204214;C=NN1CCC(=CF)C1;RFPHWSCATNNRAA-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204215;MM204215;C=NN1CCC(=NN)C1;DEGYMFIWDQYIHJ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204216;MM204216;C=NN1CCC(=NO)C1;BHSYWAQVCXIWLK-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204217;MM204217;CC=C1CNN(C=N)C1;IHCCRBLCEUCABH-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204218;MM204218;N=CN1CC(=CF)CN1;MDIXEPQDQJVXPJ-UHFFFAOYSA-N;129.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204219;MM204219;CC=C1CNN(C=O)C1;SATQZRITZKBXHR-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204220;MM204220;O=CN1CC(=CF)CN1;NAYBNPRLLMJEOJ-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204221;MM204221;N=CN1CC(=NN)CN1;OQPULSNVJXTBAS-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204222;MM204222;N=CN1CC(=NO)CN1;ODYTUDKPGGYRHZ-UHFFFAOYSA-N;128.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204223;MM204223;NN=C1CNN(C=O)C1;SQQNNKNIRBDOIJ-UHFFFAOYSA-N;128.14;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204224;MM204224;O=CN1CC(=NO)CN1;WWYRJUQUEMOYBV-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204225;MM204225;CC=C1CON(C=O)C1;RFNUPXFHQXUNFB-UHFFFAOYSA-N;127.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204226;MM204226;O=CN1CC(=CF)CO1;WRMOXGUCCUMBEV-UHFFFAOYSA-N;131.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204227;MM204227;NN=C1CON(C=O)C1;VZWIKCLRVBZPAJ-UHFFFAOYSA-N;129.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204228;MM204228;O=CN1CC(=NO)CO1;HYXWTWWHMHDSON-UHFFFAOYSA-N;130.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204229;MM204229;CN=C1CCN(C=N)N1;WJBGBQFKFYQOGQ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204230;MM204230;N=CN1CCC(=NN)N1;YKZCJZTZFPCJQH-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204231;MM204231;N=CN1CCC(=NO)N1;HWJKNNVSJROWRB-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204232;MM204232;CN=C1CCN(C=O)N1;FSWNIXQMZLNJEH-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204233;MM204233;O=CN1CCC(=NO)N1;BDQJRLKHHOIZQS-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204234;MM204234;CNC=C(C#N)C(C)O;WUZVZXIMAHDPEX-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204235;MM204235;O=CN1CCC(=NO)O1;QLVVFKCZQOEGST-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204236;MM204236;C#CC1CCC(=CC)C1;PJYKABHQVJMWII-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204237;MM204237;C#CC1CCC(=CF)C1;PRLFWEPXCJWWRA-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204238;MM204238;C#CC1CCC(=NN)C1;LWLHEKHIJUKBEQ-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204239;MM204239;C#CC1CCC(=NO)C1;KHXHICFDIYWPHT-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204240;MM204240;C#CC1CNC(=NC)C1;ZJJBWCWDCFBIRT-UHFFFAOYSA-N;122.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204241;MM204241;C#CC1CNC(=NN)C1;GFTHCEWUOUEDCE-UHFFFAOYSA-N;123.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204242;MM204242;C=C1C(=N)N(O)C=C1F;JMVBVOITEPMXJV-UHFFFAOYSA-N;128.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204243;MM204243;C#CC1COC(=CC)C1;GROYDRNMMXAWAK-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204244;MM204244;C#CC1COC(=CF)C1;AVOQIWRRELLJKP-UHFFFAOYSA-N;126.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204245;MM204245;Cn1c(O)nc(N)c1N;YPGONVUQPSXIOZ-UHFFFAOYSA-N;128.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204246;MM204246;C#CC1COC(=NO)C1;RCLJKMXOCLKECV-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204247;MM204247;C#CC1CC(=CC)CN1;KOSATPCWCKAYMU-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204248;MM204248;C#CC1CC(=CF)CN1;WUZLVEXEQLTMSU-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204249;MM204249;C#CC1CC(=NC)NN1;GBJQPMZMSZYKGD-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204250;MM204250;C#CC1CN(O)C(=N)O1;ZMLYXRPPGVWUIL-UHFFFAOYSA-N;126.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204251;MM204251;C#CC1CC(=CC)CO1;ULIPFTYHPIWSSR-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204252;MM204252;C#CC1CC(=CF)CO1;QNGQXQOOXFHXIO-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204253;MM204253;C#CC1CC(=NN)CO1;VWECLCOYIVNMMM-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204254;MM204254;C#CC1CC(=NO)CO1;YMVLCRZHKSVESO-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204255;MM204255;Cc1cc(NO)nn1C;HSMYQHLEKFYTDO-UHFFFAOYSA-N;127.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204256;MM204256;C#CC1CC(=NO)NO1;IHTVKJGAIQCPIY-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204257;MM204257;C#CC1CCC(=NC)N1;VXDKCBLJLDNHDV-UHFFFAOYSA-N;122.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204258;MM204258;C=C1N=C(CO)NC1=N;FATUJYUOBIEQFV-UHFFFAOYSA-N;125.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204259;MM204259;C#CC1CNC(=NC)N1;PZXJKUAYSVLRSS-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204260;MM204260;C#CC1CNC(=NN)N1;TVGIGJPVHQWMJY-UHFFFAOYSA-N;124.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204261;MM204261;C=C1C(=NC)N=CN1O;NNOKDYPKUVXNRK-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204262;MM204262;C#CC1COC(=NC)N1;CLZQIGOGMXGXDP-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204263;MM204263;C=C1C(=NN)N=CN1O;CHXSBYCKDHPXEB-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204264;MM204264;C#CC1COC(=NO)N1;SGKIPBCDKHLOSH-UHFFFAOYSA-N;126.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204265;MM204265;C#CC1CCC(=CC)O1;FLNOFNVRNMGKCT-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204266;MM204266;C#CC1CCC(=CF)O1;MPIOGOKCIQUGFW-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204267;MM204267;C=Cc1n[nH]c(F)c1N;BUPFQXAKGBWWIE-UHFFFAOYSA-N;127.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204268;MM204268;C#CC1CCC(=NO)O1;FBJYYMUTOOHTKJ-UHFFFAOYSA-N;125.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204269;MM204269;N=CN(O)C(C=O)=CN;JGPFBMQBINZGEZ-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204270;MM204270;C#CC1CNC(=NO)O1;RGVNATNDOGBIRF-UHFFFAOYSA-N;126.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204271;MM204271;N#CC(=O)CNC1CC1;SFDMGEZTWDGNFM-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204272;MM204272;C#CC1COC(=NO)O1;DSBYSLCSWHGBIZ-UHFFFAOYSA-N;127.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204273;MM204273;C#CC1OCC(=CC)O1;GJGHKYNJKJJKAD-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204274;MM204274;C#CC1OCC(=CF)O1;MLGQCAYKDZNZLO-UHFFFAOYSA-N;128.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204275;MM204275;CC(N)=CC=NOC(N)=O;LAGFZNGKKLDDFS-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204276;MM204276;C#CC1OCC(=NO)O1;OBZMKEAQEPVNFZ-UHFFFAOYSA-N;127.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204277;MM204277;CNN=CC(O)CC(C)C;PBKHTNXMGQBZIQ-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204278;MM204278;CN(C)N=CN(O)C=NN;RMTUBMBCOUPVOQ-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204279;MM204279;C#CC1ONC(=NO)O1;LWZNWLJYLMPJJD-UHFFFAOYSA-N;128.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204280;MM204280;CC=C1CCC(=CC)C1;OCNJOZIYYQNJGN-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204281;MM204281;CC=C1CCC(=CF)C1;UQLJOLWTFMXKQY-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204282;MM204282;FC=C1CCC(=CF)C1;MMVDLVMCWOMCMU-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204283;MM204283;CC=C1CCC(=NN)C1;IQBWNBZKOFKCRK-UHFFFAOYSA-N;124.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204284;MM204284;CC=C1CCC(=NO)C1;ZKGRWYASAPTVSW-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204285;MM204285;NN=C1CCC(=CF)C1;ZQZJLWSTBBKRMC-UHFFFAOYSA-N;128.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204286;MM204286;ON=C1CCC(=CF)C1;YDSWHFCIFPDSOA-UHFFFAOYSA-N;129.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204287;MM204287;CC(O)C=NOC(=N)NO;CJTRXWKDDIXBOP-UHFFFAOYSA-N;147.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204288;MM204288;NN=C1CCC(=NO)C1;MZRLGMYKKYYGAF-UHFFFAOYSA-N;127.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204289;MM204289;ON=C1CCC(=NO)C1;ULQLUTDYYGLRGM-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204290;MM204290;CC=C1CNC(=NC)C1;BEJZDSFFCPQBOR-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204291;MM204291;CC=C1CN=C(NN)C1;YDYXCWZFAAMILD-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204292;MM204292;CN=C1CC(=CF)CN1;LMNQTBGAOMXAPO-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204293;MM204293;NN=C1CC(=CF)CN1;KXOLRDNSKYPAOZ-UHFFFAOYSA-N;129.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204294;MM204294;CC(C=NOC(N)=O)=CN;ASLYLZKOMKEXOB-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204295;MM204295;CN=C1CC(=NN)CN1;ZOOWXZRHVIXASO-UHFFFAOYSA-N;126.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204296;MM204296;CN=C1CC(=NO)CN1;FSKGEESGQUXQID-UHFFFAOYSA-N;127.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204297;MM204297;ON=C1CNC(=NO)C1;TWKGPROLPROMNY-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204298;MM204298;CC=C1COC(=CC)C1;GCGCFFNSUSGTEA-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204299;MM204299;CC=C1COC(=CF)C1;NBFMPGJFKIAGFM-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204300;MM204300;CC=C1CC(=CF)CO1;HDFKAFULEKLQMI-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204301;MM204301;FC=C1COC(=CF)C1;IDWKJESMUGBBLX-UHFFFAOYSA-N;132.11;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204302;MM204302;COC(=N)N(O)CC(N)=O;LUQUCCBLUWYVIH-UHFFFAOYSA-N;147.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204303;MM204303;CC=C1COC(=NO)C1;XSYWZGSXOJTKOV-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204304;MM204304;C=NNCCC(=C)NC=O;JCAAPYUONJLYRL-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204305;MM204305;ON=C1CC(=CF)CO1;WZNODIXOQKGERB-UHFFFAOYSA-N;131.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204306;MM204306;CC=C1CC(=NN)CO1;WTROCSWUMYXHOQ-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204307;MM204307;C=CNC(=O)CCNN=C;CPVQQMBFYFUGGB-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204308;MM204308;CC=C1CC(=NO)CO1;WLBGYOBDWXJUIS-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204309;MM204309;ON=C1COC(=CF)C1;NNOBMOAYFRHLCX-UHFFFAOYSA-N;131.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204310;MM204310;COCCCC(O)C=NN;PGEYHQYCRAFOMK-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204311;MM204311;NN=C1COC(=NO)C1;PGKPFOMCHFLHDY-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204312;MM204312;NN=C1CC(=NO)CO1;MYJBBJFLPIZHHL-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204313;MM204313;ON=C1COC(=NO)C1;MXDCXPSVHHUFMM-UHFFFAOYSA-N;130.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204314;MM204314;CN=C1CC(=NC)NN1;LCWQMOXKXNUKBR-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204315;MM204315;CCNN=CN(O)C=NN;CHLNYRLWSAWJIR-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204316;MM204316;N=C(C=NN)N(O)C=CF;CZORHWGABXLUEH-UHFFFAOYSA-N;146.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204317;MM204317;N#CC=C(N)C(O)CCO;CAECFNSTJNUDHS-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204318;MM204318;ON=C1CC(=NO)NN1;VRTNQWRKCSUGNO-UHFFFAOYSA-N;130.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204319;MM204319;C=C(C)C(O)C=CC=NN;XYGWNCIPMXEMSK-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204320;MM204320;C=C(C(C)F)N(O)C=NN;YJCNCVBPQSQJAI-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204321;MM204321;NN=C1CC(=NO)ON1;XEIPDHUPQQXYOJ-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204322;MM204322;NN=C1CC(NO)=NO1;LYLOFILNCFWEKB-UHFFFAOYSA-N;130.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204323;MM204323;ON=C1CC(=NO)ON1;OMMMVTBGIUHFFJ-UHFFFAOYSA-N;131.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204324;MM204324;CC=C1CCC(=NC)N1;QYBKUXQPUQCRTA-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204325;MM204325;CC=C1CCC(=NN)N1;BXFRPJCBSGJNFJ-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204326;MM204326;C=C(F)C(=C)N(O)C=NN;ILXIJWOIJAEZBT-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204327;MM204327;CN=C1CCC(=CF)N1;RQNMQBJYZAHSQN-UHFFFAOYSA-N;128.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204328;MM204328;ON=C1CCC(=CF)N1;OTWRMJJHDFUSIX-UHFFFAOYSA-N;130.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204329;MM204329;CN=C1CCC(=NC)N1;YQQXSYMGPMQJSB-UHFFFAOYSA-N;125.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204330;MM204330;CC1CN2C(C1O)C2(C)C;NVDMZRGKUZLFEF-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204331;MM204331;ON=C1CCC(=NO)N1;AEUQGKZCMFROOK-UHFFFAOYSA-N;129.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204332;MM204332;CC=C1CNC(=NC)N1;OMFJVRUYBMDHHR-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204333;MM204333;CC=C1CNC(=NN)N1;JAIGBZZWYILEQC-UHFFFAOYSA-N;126.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204334;MM204334;CN=C1NCC(=CF)N1;OXDNNDKVJRWEKR-UHFFFAOYSA-N;129.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204335;MM204335;NN=C1NCC(=CF)N1;DNYOUOCQJJVESE-UHFFFAOYSA-N;130.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204336;MM204336;CON=C(C(C)C)C(C)O;NDEASIIGJRJXNS-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204337;MM204337;CN=C1CNC(=NC)N1;SADZUNNGMKCDLP-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204338;MM204338;CN=C1CNC(=NN)N1;UJUKHXYALAOEOR-UHFFFAOYSA-N;127.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204339;MM204339;CN=C1NCC(=NN)N1;XUMCIHVFSSYPMG-UHFFFAOYSA-N;127.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204340;MM204340;C=CNC(=O)CC1CN1C;QBCUSBHIVUDFHJ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204341;MM204341;CN=C1NCC(=NO)N1;GKJTVEXWFJROAL-UHFFFAOYSA-N;128.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204342;MM204342;N=c1c(N)cc(F)cn1O;FGPBLQLUIDNTNO-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204343;MM204343;CC(=NN)OCC(F)CO;VCHBUYFFACVAIY-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204344;MM204344;CC=C1COC(=NO)N1;IIDICAAPRMGWMF-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204345;MM204345;CCC1(O)C=CC(=NN)C1;YHPIHBJUPSAYAX-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204346;MM204346;CC(O)CN=C(C#N)NO;WUGDFWIDZZVYJS-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204347;MM204347;ON=C1NC(=CF)CO1;BEMKMKXBWKECAI-UHFFFAOYSA-N;132.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204348;MM204348;C=CC(C=C)=NOC(N)=O;RIRJVZIMNYFUQN-UHFFFAOYSA-N;140.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204349;MM204349;C=NN(C)CC1(CO)CO1;JLXOFJUCYOCJAH-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204350;MM204350;CC=C1NC(=NO)CO1;ISECSYGEPSQQDM-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204351;MM204351;ON=C1COC(=CF)N1;WXBIBMROZNUESB-UHFFFAOYSA-N;132.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204352;MM204352;CON=CN(O)C=NC=N;UOPISDZDSIHJMU-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204353;MM204353;C=C(CF)N(O)C=NNC;SAODUMXDKJKDOI-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204354;MM204354;N=C(C=O)N(O)C=CCO;NHZAMXPKGRNQQR-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204355;MM204355;C#CC=CN(O)C(=N)C=O;NKEPDJZUOQXKRV-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204356;MM204356;NN=CCOCC(F)CO;LCIFISCZDZVJSO-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204357;MM204357;NN=C1COC(=NO)N1;HSXJCLTZCWLOJK-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204358;MM204358;CN=C1NC(=NO)CO1;IHXMGLUNWXXDLL-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204359;MM204359;NN=C1NC(=NO)CO1;IDVHAYFFRMRRTI-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204360;MM204360;ON=C1COC(=NO)N1;PXZJEVZVPFRRCS-UHFFFAOYSA-N;131.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204361;MM204361;CC=C1CCC(=CC)O1;NXRUPFHCHGCVEE-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204362;MM204362;CC=C1CCC(=CF)O1;HWFHRECDLHCKTN-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204363;MM204363;FC=C1CCC(=CF)O1;QTIYVTMNQZOKOQ-UHFFFAOYSA-N;132.11;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204364;MM204364;CON=COCC(F)CO;AYDPROBMIUQIIX-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204365;MM204365;CC=C1CCC(=NO)O1;DBZTVHYLTALUMJ-UHFFFAOYSA-N;127.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204366;MM204366;CN=CN(C=N)C(=N)CO;IBIXWRRTNFZMEU-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204367;MM204367;ON=C1CCC(=CF)O1;AJBUWPIEKPXSQP-UHFFFAOYSA-N;131.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204368;MM204368;C=CN(O)C(CF)=NNC;PCDYFNMCBHVFFT-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204369;MM204369;NN=C1CCC(=NO)O1;SICBVKIUJYRUAS-UHFFFAOYSA-N;129.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204370;MM204370;ON=C1CCC(=NO)O1;KRWBVFZYZGIGRL-UHFFFAOYSA-N;130.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204371;MM204371;C=CN(O)C(=NN)C(C)F;VRYPEOCNIQRPNJ-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204372;MM204372;C=CN(O)C(=NN)C(=C)F;XRAISLILKVNRRZ-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204373;MM204373;NN=C1CNC(=NO)O1;XJOGOYWGOHQASO-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204374;MM204374;CC(N)=C(C=O)N(O)C=N;ADTMZCUPCMYOSS-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204375;MM204375;NN=C1NCC(=NO)O1;NDCYSFQEYGSCBS-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204376;MM204376;ON=C1CNC(=NO)O1;JGOLIEAUKYBOHK-UHFFFAOYSA-N;131.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204377;MM204377;C=NN1CC1C(O)C(C)C;QIJDZZNMYRUFDF-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204378;MM204378;NN=C1COC(=NO)O1;IDJVUYCCZBWWAX-UHFFFAOYSA-N;131.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204379;MM204379;ON=C1COC(=NO)O1;YGKQEELLVXDHSK-UHFFFAOYSA-N;132.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204380;MM204380;C=Cn1cc(O)c(N)n1;ZOTHNTGYIZLJNV-UHFFFAOYSA-N;125.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204381;MM204381;Cc1[nH]n(N)c(=O)c1O;XHLVOXJNGFJEQI-UHFFFAOYSA-N;129.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204382;MM204382;CN=c1[nH]nc(CO)o1;XFHMHNPLAMJSEC-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204383;MM204383;CCC1C=CC(CC)C1;AQOOTDZCRKKEDB-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204384;MM204384;CCC1C=CC(CN)C1;WHHIUDWTDUDALM-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204385;MM204385;C#CC#Cc1cc(N)n[nH]1;LSDRWBCWIPCMRR-UHFFFAOYSA-N;131.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204386;MM204386;CCC1C=CC(CF)C1;FQLZWPASAXHCRL-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204387;MM204387;NCC1C=CC(CN)C1;RKXKOLMRCQTFML-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204388;MM204388;NCC1C=CC(CO)C1;YKSBLVWOPVTGFT-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204389;MM204389;N=c1cc(CF)n(O)cn1;YTHJBNKXYSBULT-UHFFFAOYSA-N;143.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204390;MM204390;NN=C(NO)N(O)CCF;MWPCTCNDLSCMKB-UHFFFAOYSA-N;152.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204391;MM204391;FCC1C=CC(CF)C1;MAOVRVWICGJLSY-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204392;MM204392;CCC1C=CC(NC)C1;QAAFUVQNPMKSKF-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204393;MM204393;CNC1C=CC(CN)C1;MWFJCTSOUSJBKW-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204394;MM204394;CNC1C=CC(CO)C1;QOICOZKIMOMQNQ-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204395;MM204395;CCC1C=CC(OC)C1;CZARPOTWRCOARA-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204396;MM204396;COC1C=CC(CN)C1;OAGKWVXFFYKTRS-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204397;MM204397;COC1C=CC(CO)C1;OKFKXTHKMLLNMF-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204398;MM204398;COC1C=CC(CF)C1;OSXNXFDYMIIRGN-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204399;MM204399;CNC1C=CC(NC)C1;QJWPJYSDJMPZQN-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204400;MM204400;CNC1C=CC(OC)C1;FHJYCXWXUHCKKT-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204401;MM204401;COC1C=CC(OC)C1;BAXCLVDORMRKKM-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204402;MM204402;CCC1C=CC(CC)N1;YSDVTYNSZCSKAZ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204403;MM204403;CCC1C=CC(CN)N1;JXHOGKQSZFHTRO-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204404;MM204404;CCC1C=CC(CO)N1;KAHDIXSPLIRALI-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204405;MM204405;CCC1C=CC(CF)N1;GJCKCWDEGLUCOA-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204406;MM204406;NCC1C=CC(CN)N1;JMDMAOYWOSAMSQ-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204407;MM204407;NCC1C=CC(CO)N1;BWNTWADGMOCUER-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204408;MM204408;OCC1C=CC(CF)N1;QBVOSROYUWDOBV-UHFFFAOYSA-N;131.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204409;MM204409;CCC1C=CC(CC)O1;OHPSKMWGEKYCIO-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204410;MM204410;CCC1C=CC(CN)O1;HUCDCHWMCKJEKZ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204411;MM204411;CCC1C=CC(CO)O1;SVPHORIHKGNIQJ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204412;MM204412;CCC1C=CC(CF)O1;SCPVKVFZJJKZGX-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204413;MM204413;NCC1C=CC(CN)O1;ZGRJMBRDOHGAHK-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204414;MM204414;NCC1C=CC(CO)O1;UOTGABYRZRYAQQ-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204415;MM204415;NCC1C=CC(CF)O1;OSYRHIQVPPSRLJ-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204416;MM204416;OCC1C=CC(CF)O1;WYTPSVIMNUKJAX-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204417;MM204417;CCC1C=CC(OC)O1;YPAODENRSTVYIY-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204418;MM204418;COC1C=CC(CN)O1;VXPQICBCIQGLND-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204419;MM204419;COC1C=CC(CF)O1;DCQNMQGEMLWFNY-UHFFFAOYSA-N;132.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204420;MM204420;COC1C=CC(OC)O1;WXFWXFIWDGJRSC-UHFFFAOYSA-N;130.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204421;MM204421;CCC1C=NN(CC)C1;DZKOERIMZSJUIQ-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204422;MM204422;CCN1CC(CN)C=N1;RSEDRAGXWRKPDE-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204423;MM204423;C=COc1cc(CC)[nH]n1;QJWZLCDOVMZMGN-UHFFFAOYSA-N;138.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204424;MM204424;CCN1CC(CF)C=N1;KGSHJNWEMZRONZ-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204425;MM204425;CCN1CC(OC)C=N1;GAXMOLKVIGCELY-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204426;MM204426;CCC1CN(CC)C=N1;YDJJKEJDOHFSSX-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204427;MM204427;CCN1C=NC(CN)C1;JUBWSOJHNVLIRI-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204428;MM204428;CCN1C=NC(CO)C1;ZIQWKNLKVQYCPW-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204429;MM204429;CCN1C=NC(CF)C1;UVTZCPXSHSBIMP-UHFFFAOYSA-N;130.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204430;MM204430;CCC1CN(OC)C=N1;WXBMOHYBHSHDDT-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204431;MM204431;OCC#CCNN=CNO;OICJFLOXDTVQIL-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204432;MM204432;O=CNC=CC=NOC=O;WELLMLSZVSUUIW-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204433;MM204433;C=CC1C=CC(CC)C1;ZPAYYEYKVHVUSI-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204434;MM204434;CCC1C=CC(C=O)C1;LOEANRBZVRZRCQ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204435;MM204435;CCC1C=CC(C#N)C1;GEKAZXGOUHGQAJ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204436;MM204436;C=CC1C=CC(CN)C1;OSHOFDBHRNRJRO-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204437;MM204437;N=C1OCCN1O;LLWHSLPXULUOKR-UHFFFAOYSA-N;102.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204438;MM204438;CC1CN(O)C(=N)O1;OGHDIZBSWDCTBB-UHFFFAOYSA-N;116.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204439;MM204439;CC(O)C(C#N)=CN;OPVZDTPSWCICNI-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204440;MM204440;N#CC1C=CC(CF)C1;ZHMNGAMMHJUFQM-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204441;MM204441;C=CC1C=CC(NC)C1;PIBTWWXQFVJRHD-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204442;MM204442;CNC1C=CC(C=O)C1;GFXBJEBMWZOHQL-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204443;MM204443;CNC1C=CC(C#N)C1;AMVWDJOOFJTTLC-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204444;MM204444;C=CC1C=CC(OC)C1;MQPMBKNBYIXYQN-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204445;MM204445;COC1C=CC(C=O)C1;PQJMRPZITLWZEX-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204446;MM204446;COC1C=CC(C#N)C1;YTSIKCHRXFWETC-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204447;MM204447;C=CC1C=CC(CC)N1;SPYPTFCQFMIIQG-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204448;MM204448;CCC1C=CC(C=O)N1;GHTPMCXWWWLIBU-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204449;MM204449;CCC1C=CC(C#N)N1;VLUJKZYPZUEZEU-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204450;MM204450;C=CC1C=CC(CN)N1;ISHKYQIRXOUIKY-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204451;MM204451;C=CC1C=CC(CO)N1;CMAJLSGUQDFWBG-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204452;MM204452;Cc1cc(NO)n[nH]1;PUVYIWYUXGJBAD-UHFFFAOYSA-N;113.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204453;MM204453;C=CC1C=CC(CF)N1;YWVCPJCGBGALCO-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204454;MM204454;N#CC1C=CC(CF)N1;LESGMVNTWZZCOE-UHFFFAOYSA-N;126.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204455;MM204455;C=CC1C=CC(CC)O1;WGWOQWUIPHGTLN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204456;MM204456;CCC1C=CC(C=O)O1;RLKWZPOSEKSYEQ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204457;MM204457;CCC1C=CC(C#N)O1;UHAOFZSSAOJAPI-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204458;MM204458;C=CC1C=CC(CN)O1;DTUOJXZJSCYLCC-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204459;MM204459;C=CC1C=CC(CO)O1;AXCOPUHTFGTZLH-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204460;MM204460;N#CC1C=CC(CO)O1;FGYXQOOQSSMBFB-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204461;MM204461;C=CC1C=CC(CF)O1;CUQQIVFKZZNGCU-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204462;MM204462;O=CC1C=CC(CF)O1;SQVABUJRBGPJJR-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204463;MM204463;N#CC1C=CC(CF)O1;UZRZPUAHWZOYIH-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204464;MM204464;C=CC1C=CC(OC)O1;OPDVWGUAHHOSME-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204465;MM204465;COC1C=CC(C=O)O1;ANQNORQCGJRGJV-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204466;MM204466;COC1C=CC(C#N)O1;UJKKUQSBGMACAK-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204467;MM204467;CCC1C=CN(C=N)C1;HNYCJHOYTKZMSN-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204468;MM204468;CCC1C=CN(C=O)C1;JQMXRYNMSMHRAU-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204469;MM204469;N=CN1C=CC(CN)C1;QVJAGKRMIIEDBM-UHFFFAOYSA-N;125.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204470;MM204470;NCC1C=CN(C=O)C1;AAIJCESQVBKTIE-UHFFFAOYSA-N;126.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204471;MM204471;N=CN1C=CC(CO)C1;CMOYZXPPYIEJST-UHFFFAOYSA-N;126.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204472;MM204472;O=CN1C=CC(CO)C1;ITZZIHDODQDMNR-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204473;MM204473;N=CN1C=CC(CF)C1;DDERTVKJPRORSZ-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204474;MM204474;O=CN1C=CC(CF)C1;CAZQXKUEDVTWHO-UHFFFAOYSA-N;129.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204475;MM204475;CNC1C=CN(C=N)C1;FFNKMFIXVLHIMF-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204476;MM204476;CNC1C=CN(C=O)C1;CSOFKVPBPGJVDF-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204477;MM204477;COC1C=CN(C=N)C1;BDCHHZUPMUTCMZ-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204478;MM204478;COC1C=CN(C=O)C1;HNIJZKCVSFZDCZ-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204479;MM204479;CCC1C=NN(C=N)C1;HWWAYGQPASAVDJ-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204480;MM204480;CCC1C=NN(C=O)C1;OVLCQHSHKDQTJA-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204481;MM204481;N=CN1CC(CN)C=N1;CYMYQYAVDMTZLF-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204482;MM204482;NCC1C=NN(C=O)C1;GGFRUILUSHJHDI-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204483;MM204483;CC1(C)CN(O)C(=N)O1;SHWXMEKBFFAAAM-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204484;MM204484;NC(C#CCO)C(F)F;JRJDFMGMNLHOPS-UHFFFAOYSA-N;135.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204485;MM204485;N=CN1CC(CF)C=N1;SLRHZPLIAVVOQX-UHFFFAOYSA-N;129.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204486;MM204486;O=CN1CC(CF)C=N1;LNZIQDWZJYUBJX-UHFFFAOYSA-N;130.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204487;MM204487;COC1C=NN(C=N)C1;KEMNMEMHNZQOPM-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204488;MM204488;COC1C=NN(C=O)C1;QKFPIIYCIACRDT-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204489;MM204489;C=CN1C=NC(CC)C1;BIFNWFRBXPBILP-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204490;MM204490;CCC1CN(C=N)C=N1;YWWSOTBDBHGHRS-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204491;MM204491;C=CN1C=NC(CN)C1;ZAUSIRCSTWRWCX-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204492;MM204492;N=CN1C=NC(CN)C1;DWDFRIIMJHQWPI-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204493;MM204493;NCC1CN(C=O)C=N1;QMUABHCNBPDGEU-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204494;MM204494;C=CN1C=NC(CO)C1;JJMMQRDCMJNRFT-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204495;MM204495;COCC(=NN)C(C)O;IKHWNCZUVQOTLZ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204496;MM204496;CCC1CN(O)C(=N)O1;RRGKBIGXXLYLNA-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204497;MM204497;C=NN1C=NC(CC)C1;RFQSFKHFPJACGY-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204498;MM204498;C=CC1CN(O)C(=N)O1;DQDXNENFGFZABX-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204499;MM204499;N=C1OC(=O)CCN1O;RSBNIQANJVORJT-UHFFFAOYSA-N;130.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204500;MM204500;CCC1C=CN(C=N)N1;ZWXKLSAYVSTPDK-UHFFFAOYSA-N;125.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204501;MM204501;CCC1C=CN(C=O)N1;FNLMBRQWKORELA-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204502;MM204502;N=CN1C=CC(CN)N1;ZOULRNVOGSJBOW-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204503;MM204503;NCC1C=CN(C=O)N1;CWNSGCWYENNHHH-UHFFFAOYSA-N;127.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204504;MM204504;N=CN1C=CC(CO)N1;CVEPVSTXPLLYDK-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204505;MM204505;CCC(O)C=NN1CC1;UNXWVLWYMPEZMV-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204506;MM204506;N=CN1C=CC(CF)N1;LBIGJWKVSTTZSA-UHFFFAOYSA-N;129.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204507;MM204507;O=CN1C=CC(CF)N1;LOBZLYSDLRXMFD-UHFFFAOYSA-N;130.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204508;MM204508;CCC1C=CN(C=O)O1;ANSCTZBFRIGHCG-UHFFFAOYSA-N;127.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204509;MM204509;N=CN1C=CC(CN)O1;YUITZANAACVWQT-UHFFFAOYSA-N;127.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204510;MM204510;NCC1C=CN(C=O)O1;GWSUAXUMCFXKHQ-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204511;MM204511;O=CN1C=CC(CO)O1;LQXBYYIXGGNFCH-UHFFFAOYSA-N;129.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204512;MM204512;O=CN1C=CC(CF)O1;NVBVICGCZONOMF-UHFFFAOYSA-N;131.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204513;MM204513;COC1C=CN(C=O)O1;DAKSCZIJVIZZMM-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204514;MM204514;C=CC1CN(CC)C=N1;LGHZIDVUIKXNIV-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204515;MM204515;CCC12CNC(=O)C1N2;YIUVVVSANYCHNK-UHFFFAOYSA-N;126.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204516;MM204516;C=CC1CN(OC)C=N1;MMPPLJQMCIFUCF-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204517;MM204517;OCC1(CN2CC2)CO1;NXBAOEPZTAZUNA-UHFFFAOYSA-N;129.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204518;MM204518;CC1CN2C(C)C2C1O;KSAHYQRYIKRCPM-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204519;MM204519;C=CC1C=NN(CC)C1;VMSFNTXXUGMDEK-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204520;MM204520;C=C(F)CC(=O)C=NNC;CKYIIJUHRRZDDL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204521;MM204521;C#CC1C=CC(CC)C1;GFZRYSJDDXISMP-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204522;MM204522;C#CC1C=CC(CN)C1;OMAKPXFXNBLVKI-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204523;MM204523;C=C(CCC=NN)NC=O;YIXGWDUQHSNOEI-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204524;MM204524;C#CC1C=CC(CF)C1;GKXCWJNGADYXQO-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204525;MM204525;C#CC1C=CC(NC)C1;QLVAVRUBUVQMCS-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204526;MM204526;C#CC1C=CC(OC)C1;RDPRREMPLLAESM-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204527;MM204527;C#CC1C=CC(CC)N1;XDISQULICDZBPV-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204528;MM204528;C#CC1C=CC(CN)N1;GLUICFRXABVDPO-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204529;MM204529;C#CC1C=CC(CO)N1;IRXMYAACRDQFSA-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204530;MM204530;C#CC1C=CC(CC)O1;XYGWPBOMFYJSLZ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204531;MM204531;C#CC1C=CC(CN)O1;OLGRULITTKODHL-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204532;MM204532;C#CC1C=CC(CO)O1;BGIOSRGRUCZKAC-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204533;MM204533;C#CC1C=CC(OC)O1;NVWANMLRGZCLPN-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204534;MM204534;C#CC1CN(OC)C=N1;MRQKKTVULCBZDX-UHFFFAOYSA-N;124.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204535;MM204535;C#CC1C=NN(CC)C1;UJKPMAHFBAYSHH-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204536;MM204536;C=CC1C=CC(C=C)C1;YQRRIJJICAASBG-UHFFFAOYSA-N;120.2;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204537;MM204537;C=CC1C=CC(C=O)C1;TXAPOOOPKBSWLI-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204538;MM204538;C=CC1C=CC(C#N)C1;ULTXFMHJDVZNRB-UHFFFAOYSA-N;119.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204539;MM204539;O=CC1C=CC(C=O)C1;XVBGJDWIFKGRJQ-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204540;MM204540;N#CC1C=CC(C=O)C1;KVPUGJNHLCNKPJ-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204541;MM204541;N#CC1C=CC(C#N)C1;RLBXUAAZDMMTHR-UHFFFAOYSA-N;118.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204542;MM204542;C=CC1C=CC(C=C)N1;PXZXIBPMNNRWQB-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204543;MM204543;C=CC1C=CC(C#N)N1;RGUBASYYXVUHMR-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204544;MM204544;C=CNC(=O)CCC=NN;AQQPZPBGNIHBAC-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204545;MM204545;N#CC1C=CC(C#N)N1;INYHGFREYAUVIM-UHFFFAOYSA-N;119.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204546;MM204546;C=CC1C=CC(C=C)O1;ARYOGANSQDQTIR-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204547;MM204547;C=CC1C=CC(C=O)O1;UMXNNACWLCLFPB-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204548;MM204548;C=CC1C=CC(C#N)O1;OSSZIUXJTYQROI-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204549;MM204549;O=CC1C=CC(C=O)O1;QMGZRVLYYLEJAH-UHFFFAOYSA-N;126.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204550;MM204550;N#CC1C=CC(C=O)O1;MVBGKCODPKNAQP-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204551;MM204551;N#CC1C=CC(C#N)O1;HBZINCCKPGBTMH-UHFFFAOYSA-N;120.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204552;MM204552;C=CC1C=CN(C=N)C1;OJFPEVUALWNKRV-UHFFFAOYSA-N;122.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204553;MM204553;C=CC1C=CN(C=O)C1;MHEPOJXFGUZWPX-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204554;MM204554;N=CN1C=CC(C=O)C1;UREXSSZSUANMHX-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204555;MM204555;N#CC1C=CN(C=N)C1;PRABSCSZXALIKQ-UHFFFAOYSA-N;121.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204556;MM204556;O=CC1C=CN(C=O)C1;ZAZCAFVURPKTAZ-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204557;MM204557;N#CC1C=CN(C=O)C1;JIZPXDDFWNNPJU-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204558;MM204558;C=CC1C=NN(C=N)C1;ZNCQBKGZLFBAJK-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204559;MM204559;C=CC1C=NN(C=O)C1;PWKQUQOBIPBILN-UHFFFAOYSA-N;124.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204560;MM204560;CN=CN(O)C=NCCO;NYMGWLWELGSKJQ-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204561;MM204561;N#CC1C=NN(C=O)C1;XRBYECXSBUGZPE-UHFFFAOYSA-N;123.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204562;MM204562;C=CC1CN(C=C)C=N1;NYKOKNQMIBMKGC-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204563;MM204563;C=CC1CN(C=O)C=N1;LMNJVIWAQXZAMB-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204564;MM204564;CN(O)C(=N)C(CO)=NN;OTILVQZKCCUEID-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204565;MM204565;CC#CC(=O)N(N)C(N)=O;MAMIEISXUUABCK-UHFFFAOYSA-N;141.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204566;MM204566;C=CC1CN(N=C)C=N1;BLRJMNPGRQQENG-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204567;MM204567;N=c1cc(F)c(F)cn1O;ZAVPHFMFHHEVFX-UHFFFAOYSA-N;146.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204568;MM204568;C=NN1C=NC(C#N)C1;DKDLHVTYBQFLLP-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204569;MM204569;C=CC1C=CN(C=N)N1;RIGNSJWMWUZIDX-UHFFFAOYSA-N;123.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204570;MM204570;C=CC1C=CN(C=O)N1;JHQWSMVXNSGPRP-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204571;MM204571;N=CN1C=CC(C=O)N1;GBJKRKZQXFKPLO-UHFFFAOYSA-N;125.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204572;MM204572;C=NNC(CO)(CO)CF;KYTXRGVHDQIPJL-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204573;MM204573;N#CC1C=CN(C=O)N1;SOIOTBSAIVRFQK-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204574;MM204574;C=CC1C=CN(C=O)O1;YJSSCQXSCXMSSF-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204575;MM204575;O=CC1C=CN(C=O)O1;NJTCJQZCUQKZIQ-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204576;MM204576;N#CC1C=CN(C=O)O1;VIIZLFQTDWKKQZ-UHFFFAOYSA-N;124.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204577;MM204577;C#CC1C=CC(C=C)C1;IYCDWRVIFUMYPQ-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204578;MM204578;C#CC1C=CC(C=O)C1;UPPQNNWEEOLMMM-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204579;MM204579;C#CC1C=CC(C#N)C1;IUBFQMCDBMUJPP-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204580;MM204580;C#CC1C=CC(C=C)N1;QLXSGHIOCPGLDZ-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204581;MM204581;C#CC1C=CC(C#N)N1;DALXMQMZBAPIKP-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204582;MM204582;C#CC1C=CC(C=C)O1;NPUINKQHKGMEKN-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204583;MM204583;C#CC1C=CC(C=O)O1;UYNYFFMIJRWDGC-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204584;MM204584;C#CC1C=CC(C#N)O1;YGGLWLVBNVDKDN-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204585;MM204585;C#CC1C=CN(C=N)C1;MZZGREUQOJONEX-UHFFFAOYSA-N;120.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204586;MM204586;C#CC1C=CN(C=O)C1;CBJSBLGKMMJTEO-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204587;MM204587;C#CC1CN(C=O)C=N1;DXXCYGGCYGYUIL-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204588;MM204588;C#CC1CN(N=C)C=N1;PMFHTIMKCCJBKV-UHFFFAOYSA-N;121.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204589;MM204589;C#CC1C=NN(C=N)C1;FJDCAWRLZSTCEO-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204590;MM204590;C#CC1C=NN(C=O)C1;QUCDYOVUSXODJQ-UHFFFAOYSA-N;122.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204591;MM204591;C#CC1C=CN(C=N)N1;MJIJMCIJXBBRRF-UHFFFAOYSA-N;121.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204592;MM204592;C#CC1C=CN(C=O)N1;MOTQWWXFHAGSRS-UHFFFAOYSA-N;122.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204593;MM204593;C#CC1C=CN(C=O)O1;ZLAULWIBXUHMMK-UHFFFAOYSA-N;123.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204594;MM204594;C#CC1C=CC(C#C)C1;NBGOJZZGHCAPQN-UHFFFAOYSA-N;116.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204595;MM204595;C#CC1C=CC(C#C)O1;XEWXXHGMKIQKEK-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204596;MM204596;CC=C1C=CC(CC)C1;OREXCHJNULMLCI-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204597;MM204597;CCC1C=CC(=CF)C1;XZLYRVJDLLILMW-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204598;MM204598;CC=C1C=CC(CN)C1;LCKXBKKLSPGDDD-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204599;MM204599;NCC1C=CC(=CF)C1;NQZCSUVRDDLZJA-UHFFFAOYSA-N;127.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204600;MM204600;CC(CCC(O)CO)=NN;RXELTZCYFCHAKT-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204601;MM204601;CCC(O)C=NN(C)C=N;GLXNZIPQRAJLEW-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204602;MM204602;CC=C1C=CC(CF)C1;JZNOYASCBDOMFQ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204603;MM204603;FC=C1C=CC(CF)C1;SGEZYIZULRMVFS-UHFFFAOYSA-N;130.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204604;MM204604;C#CC1(CO)NC1C(C)O;CXWSXGANPNUBOB-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204605;MM204605;CN(C(=N)CO)C(=O)CF;OLEZOFVJRVUJTJ-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204606;MM204606;NCC1C=CC(=NO)C1;CHPSULCIXAADRV-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204607;MM204607;C=C(C(=O)C=O)N(O)C=N;USYZRTPOXPINBR-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204608;MM204608;OCC1C=CC(=NO)C1;URGKCVIRDSBSCH-UHFFFAOYSA-N;127.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204609;MM204609;C=CN(O)C(=N)C(=O)C=O;CVKZGUICPNVSCL-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204610;MM204610;ON=C1C=CC(CF)C1;CSOBPWIKXFDVTA-UHFFFAOYSA-N;129.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204611;MM204611;CC=C1C=CC(NC)C1;UXGZKGOMPKMOSX-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204612;MM204612;CNC1C=CC(=CF)C1;BZEVUTDDHNNEJL-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204613;MM204613;CNC1C=CC(=NN)C1;VMPMJDUPKMYFCT-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204614;MM204614;CNC1C=CC(=NO)C1;SSYLAUHKLKWNHP-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204615;MM204615;CC=C1C=CC(OC)C1;FAFYHYFVLXEIIN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204616;MM204616;COC1C=CC(=CF)C1;FHUSXPNQAANVEB-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204617;MM204617;COC1C=CC(=NN)C1;FYPMHABZPNYYAL-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204618;MM204618;COC1C=CC(=NO)C1;OJVVLVYVMOZBCU-UHFFFAOYSA-N;127.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204619;MM204619;CCC1C=CC(NC)=N1;UCLGYUUKUGXFKY-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204620;MM204620;CCC1C=CC(NN)=N1;LGDHSHVDAPGLBL-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204621;MM204621;CN=C1C=CC(CN)N1;ZHINFRRVJRKYDR-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204622;MM204622;CN=C1C=CC(CO)N1;IEUSMAVOOPQHDV-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204623;MM204623;CN=C1C=CC(CF)N1;XLUSNBJIHWWOHV-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204624;MM204624;CC(=C(F)C=O)N(O)C=N;KWBHEQMYEQYLBK-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204625;MM204625;CC=C1C=CC(CC)O1;JYIKTDUGLSSULR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204626;MM204626;CCC1C=CC(=CF)O1;HRNPZUJUBWPTLW-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204627;MM204627;CC=C1C=CC(CN)O1;HCCMRAHWUVZJBW-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204628;MM204628;NCC1C=CC(=CF)O1;FBIXTQWKQLIWSB-UHFFFAOYSA-N;129.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204629;MM204629;CC=C1C=CC(CO)O1;OUCZAEVEMRCSGD-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204630;MM204630;OCC1C=CC(=CF)O1;LNFDASKVHOITBD-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204631;MM204631;CC=C1C=CC(CF)O1;UWBJYTHEGQKVOY-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204632;MM204632;FC=C1C=CC(CF)O1;HVCCXZYZSNVKPF-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204633;MM204633;COCCN(O)C(=N)OC;SMRYOTFWEJHUCK-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204634;MM204634;CCC1C=CC(=NO)O1;OKBAQYIUVAKNQO-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204635;MM204635;NCC1C=CC(=NO)O1;YJCALVLUSLXONR-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204636;MM204636;C=CC=CN(O)C(=N)C=O;OKJBVFPDGLLABX-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204637;MM204637;OCC1C=CC(=NO)O1;NNPXWPCGKRTRPC-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204638;MM204638;N=C(C=O)N(O)C=CC=O;UKIKSLKXHHWWFZ-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204639;MM204639;ON=C1C=CC(CF)O1;OSGFUWJXBJSKIZ-UHFFFAOYSA-N;131.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204640;MM204640;CC=C1C=CC(OC)O1;OUYBRFTTXQFXDT-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204641;MM204641;COC1C=CC(=CF)O1;SAKFKGCMKPCSNU-UHFFFAOYSA-N;130.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204642;MM204642;CON=CCCC(O)CO;ZVCLPGIYWREGIP-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204643;MM204643;COC1C=CC(=NO)O1;HOMOFDNFTOACDK-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204644;MM204644;NC(C=O)=NCC#CCO;BBIGSSUVUPHIKX-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204645;MM204645;N=CN(O)C=NNCCO;XOKHBOMMKBHNJP-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204646;MM204646;N=CN(O)C=NOCC=O;JJNGELVFHYLLCR-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204647;MM204647;CNC(=O)N(C=N)CC#N;PBFOGNUOWYFRIK-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204648;MM204648;CCN(C)C(CO)=NC=O;HJHZEWSDFAXEKH-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204649;MM204649;CON1C=NC(=NO)C1;AQGNDICSZMYAFL-UHFFFAOYSA-N;129.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204650;MM204650;CC=C1C=NN(CC)C1;DZBSINSZDDRSNX-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204651;MM204651;CCN1CC(=CF)C=N1;VYCFWHODLITTNM-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204652;MM204652;N=CN(O)C(C=O)=CC=O;FTSWPVAHMZJPTP-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204653;MM204653;CCN1CC(=NO)C=N1;OLELHVRDWALBGH-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204654;MM204654;CCn1ccc(NC)n1;FOFDGAWFBCEICT-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204655;MM204655;CNNC(=NOC=O)NN;MWJKGSWTFXMJJB-UHFFFAOYSA-N;147.14;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204656;MM204656;CNC(C(F)F)C(F)CO;JDNNPCUJBNEGGA-UHFFFAOYSA-N;157.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204657;MM204657;CNc1ccn(NC)n1;CUXVUVYJNOLYOQ-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204658;MM204658;C#CC(=C)C(=NN)C(C)O;YSPPSDLISYZRMS-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204659;MM204659;Cc1c(N)c(O)n(N)c1C;NHGPTZSMKXUMCS-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204660;MM204660;CNc1ccn(OC)n1;RGPHVJLDLCWKSG-UHFFFAOYSA-N;127.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204661;MM204661;N=c1c(F)c(F)ccn1O;JXVJFZGBEGTIJO-UHFFFAOYSA-N;146.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204662;MM204662;C#CC(CO)ONC=NN;JQUFGKOGXALFII-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204663;MM204663;O=c1oc2cc(O)cn2o1;ALFCCXZPUUEOMR-UHFFFAOYSA-N;141.08;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204664;MM204664;CCOC(N)=C(C#N)CO;RRECWTGYNKKYCI-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204665;MM204665;N#CCNCC1(CO)CO1;HFCWGEKOLDJHJS-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204666;MM204666;CCn1ncc(NO)n1;ASHBZOZUZUBXCI-UHFFFAOYSA-N;128.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204667;MM204667;O=c1nc(O)[nH]oc1=NO;FNGDAIHPHYHJGA-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204668;MM204668;CCn1nnc(=NC)o1;BYTFFECWSBSBGA-UHFFFAOYSA-N;128.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204669;MM204669;CCn1nnc(=NN)o1;SBKYLWLGWKOVER-UHFFFAOYSA-N;129.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204670;MM204670;CCn1nnc(=NO)o1;QRPSMFVTDJCMSS-UHFFFAOYSA-N;130.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204671;MM204671;C=CC1C=CC(=CC)C1;UEXAPVHEPDQSCI-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204672;MM204672;C=CC1C=CC(=CF)C1;KFRUVICMBVTJON-UHFFFAOYSA-N;124.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204673;MM204673;CC=C1C=CC(C=O)C1;OHZSGURIYLRRBB-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204674;MM204674;CC=C1C=CC(C#N)C1;PUELANRXNLZNPR-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204675;MM204675;O=CC1C=CC(=CF)C1;ISFQMIVLUUABEN-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204676;MM204676;N#CC1C=CC(=CF)C1;LIUXIVALFGYVGF-UHFFFAOYSA-N;123.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204677;MM204677;N=Nc1ccc(C=CN)[nH]1;WRMGYKRUVSHRDF-UHFFFAOYSA-N;136.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204678;MM204678;CC1NC2(C#N)CC2C1O;HAMYMERLLMIEOE-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204679;MM204679;O=CC1C=CC(=NO)C1;YFUZZAYWGUJYCA-UHFFFAOYSA-N;125.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204680;MM204680;N#CC1C=CC(=NO)C1;NXHDATXIVLBOMK-UHFFFAOYSA-N;122.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204681;MM204681;C=CC1C=CC(=NC)N1;YTKPFAZPNZFPQG-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204682;MM204682;CC1CN1CC1(CO)CO1;NZRVVNYUQNNXIZ-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204683;MM204683;CN=C1C=CC(C=O)N1;QIRGJQHPDSULGV-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204684;MM204684;O=CC1C=CC(=NO)N1;NBXQKWHCFIDNLW-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204685;MM204685;C=CC1C=CC(=CC)O1;BBMLKWNNNYPQJW-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204686;MM204686;C=CC1C=CC(=CF)O1;JPLXSSHLIXLPLE-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204687;MM204687;CC=C1C=CC(C=O)O1;OUMJISCIPCBGTM-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204688;MM204688;CC=C1C=CC(C#N)O1;ZOKHHGQRWWLVIU-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204689;MM204689;O=CC1C=CC(=CF)O1;HPBVLWXGOVJNSS-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204690;MM204690;N#CC1C=CC(=CF)O1;SCMZADHRGNSGIK-UHFFFAOYSA-N;125.1;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204691;MM204691;Cc1nc(N)n[nH]1;FJRZOOICEHBAED-UHFFFAOYSA-N;98.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204692;MM204692;C=CC1C=CC(=NO)O1;YZLGUGZVANPHRJ-UHFFFAOYSA-N;125.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204693;MM204693;O=CC1C=CC(=NO)O1;IZDIUTXWDCJXHG-UHFFFAOYSA-N;127.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204694;MM204694;CC=C1C=CN(C=N)C1;YEMMLWRSPCKXLA-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204695;MM204695;N=CN1C=CC(=CF)C1;SEYOMZTUZXNZJW-UHFFFAOYSA-N;126.13;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204696;MM204696;CC=C1C=CN(C=O)C1;GUQOLKZOBGJWRI-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204697;MM204697;O=CN1C=CC(=CF)C1;FWEUVHRMEYWTQP-UHFFFAOYSA-N;127.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204698;MM204698;N=CN1C=CC(=NN)C1;KSZLZYXOPBTLEC-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204699;MM204699;N=CN1C=CC(=NO)C1;CYFZPDGYDBUCCN-UHFFFAOYSA-N;125.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204700;MM204700;OCC(F)C1CN1;ADOBRZUTRGOPNU-UHFFFAOYSA-N;105.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204701;MM204701;O=CN1C=CC(=NO)C1;YWGGXHGZOPUYCZ-UHFFFAOYSA-N;126.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204702;MM204702;C=NN1C=CC(=NO)C1;OURQUGNJXKAGCE-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204703;MM204703;OCC#CC1CN1;MYJITHMRLWVUMS-UHFFFAOYSA-N;97.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204704;MM204704;CN(C=O)C(=N)CO;VFMJSRDYPXFNBP-UHFFFAOYSA-N;116.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204705;MM204705;CCC(O)C=NNC;KGYFMYWEKDHJQY-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204706;MM204706;CON=CN(O)C=N;ZCFNXTGKHAMEJL-UHFFFAOYSA-N;117.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204707;MM204707;Nc1nnn(N)c1F;DBFUKSULOONQQB-UHFFFAOYSA-N;117.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204708;MM204708;O=CN1C=NC(=NO)C1;FVTDZTWPTVJPQG-UHFFFAOYSA-N;127.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204709;MM204709;CC1NC1C(F)CO;XSPHVMDGCNJIHZ-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204710;MM204710;CN1CC1C(F)CO;VXXBLFIFLJRASC-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204711;MM204711;C=NN1C=NC(=NO)C1;MUPYNGHILOGBLA-UHFFFAOYSA-N;126.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204712;MM204712;CC=C1C=NN(C=N)C1;GKZMCOSUNDOYJA-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204713;MM204713;N=CC1=CNN(C=N)C1;JERZJSAWUGNXHH-UHFFFAOYSA-N;124.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204714;MM204714;N=CN1CC(=CF)C=N1;JMVWTBOPMYVXPY-UHFFFAOYSA-N;127.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204715;MM204715;CC=C1C=NN(C=O)C1;JLKAOOIAAFMGRG-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204716;MM204716;NC=C1C=NN(C=O)C1;WKBLPZXEBBEXGK-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204717;MM204717;O=CN1CC(=CF)C=N1;HGXKOFYLLUPTII-UHFFFAOYSA-N;128.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204718;MM204718;CC1NC1C#CCO;HYFISXLZTGHLJP-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204719;MM204719;CN1CC1C#CCO;PMUDUYSTZFMUOC-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204720;MM204720;C=CC1NC(C)(C)C1=O;OMCYBDUNKVWPQD-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204721;MM204721;O=CN1CC(=NO)C=N1;JBFOLTFHDHZOGJ-UHFFFAOYSA-N;127.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204722;MM204722;C=Cn1ccc(NC)n1;BHOZQIKKKSULAV-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204723;MM204723;CC1(C)NC1C(F)CO;MQEVUXQSRXEKNM-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204724;MM204724;CC1=NOC(C)(CO)C1;DGQXHGAWPPLHCX-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204725;MM204725;C=NN=CN(O)C=NC;QAEQLVAEOFEYOH-UHFFFAOYSA-N;128.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204726;MM204726;C=NNC(C)C#CCO;LWDGQRQFSXHZJI-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204727;MM204727;CC(=O)N(C)C(=N)CO;VFPBTGSTIDAPOQ-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204728;MM204728;O=Cn1ccc(NO)n1;JCKYQLJDSOSDIM-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204729;MM204729;C=Nn1ccc(NC)n1;CZTVTIYJZAXFNH-UHFFFAOYSA-N;124.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204730;MM204730;C=CN(O)C(=N)C(C)=O;RGNAZYOUKUUXTB-UHFFFAOYSA-N;128.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204731;MM204731;CCON=C(C)C(C)O;JGZYUPMHARRCCB-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204732;MM204732;N#Cc1[nH]oc(=NO)c1O;HCSPWVVPMWJGNI-UHFFFAOYSA-N;141.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204733;MM204733;C#CC(=C)OC(C#N)=NO;HRXBNMPIKDOVOV-UHFFFAOYSA-N;136.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204734;MM204734;CC(F)=COC(C#N)=NO;ZKWLHKFUIFSJIV-UHFFFAOYSA-N;144.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204735;MM204735;C=NNC(C)C(F)CO;QLCUQLRPXKIUOJ-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204736;MM204736;C=CN(O)C(C)=NOC;KXGPTQNPCWEVDM-UHFFFAOYSA-N;130.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204737;MM204737;C=Cn1ncc(NO)n1;VTIBYUKWNOKVOE-UHFFFAOYSA-N;126.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204738;MM204738;CN(C)C(CO)=NC=O;JQFOJJBQGPTSHM-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204739;MM204739;CN=C1CN(N)C(C)=N1;RKWFKIYWBZAAGF-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204740;MM204740;Cc1nc(CO)cn1C;GBAJNMPJZPVBJK-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204741;MM204741;CNc1cnn(C=O)n1;KUUHTZJTAVZZFG-UHFFFAOYSA-N;126.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204742;MM204742;C=CCc1nc(C)c[nH]1;ZZPKIEOTWUDQIP-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204743;MM204743;O=Cn1ncc(NO)n1;ZEINUCAXHINQOV-UHFFFAOYSA-N;128.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204744;MM204744;COn1ccnc(O)c1=O;MMSVZQCNAUSHPE-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204745;MM204745;C=NN=C(C#N)NC(C)=O;YMBLGLACAQAMIP-UHFFFAOYSA-N;138.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204746;MM204746;C=Cn1nnc(=NC)o1;XFLANSIUROBGHJ-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204747;MM204747;C=Cn1nnc(=NN)o1;CHUOJMFHZYRIDK-UHFFFAOYSA-N;127.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204748;MM204748;C=Cn1nnc(=NO)o1;KHTXCAQRARCXDE-UHFFFAOYSA-N;128.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204749;MM204749;CN=c1nnn(C=N)o1;VCHRAGOHVVODCV-UHFFFAOYSA-N;127.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204750;MM204750;C#CC1N=CN(O)C1=C;VSPRXQGIOCGIIL-UHFFFAOYSA-N;122.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204751;MM204751;N=Cn1nnc(=NO)o1;MCSPYNSMAHENIU-UHFFFAOYSA-N;129.08;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204752;MM204752;CN=c1nnn(C=O)o1;QSJXEMONIAQPOZ-UHFFFAOYSA-N;128.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204753;MM204753;NN=c1nnn(C=O)o1;IDXUXDGGGWNWOV-UHFFFAOYSA-N;129.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204754;MM204754;O=Cn1nnc(=NO)o1;MHLNRFLKKKXBRF-UHFFFAOYSA-N;130.06;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204755;MM204755;C#CC1C=CC(=CC)C1;JCRDOHLEAMONGS-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204756;MM204756;C#CC1C=CC(=CF)C1;TYAQVQKDAZLAHA-UHFFFAOYSA-N;122.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204757;MM204757;N=C(NO)C(CO)=NN;QWIFVZUIIGGMLJ-UHFFFAOYSA-N;132.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204758;MM204758;C#CC1C=CC(=NO)C1;PAPFIOQMZJCOGO-UHFFFAOYSA-N;121.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204759;MM204759;C#CC1C=CC(=NC)N1;CEBWPAUMLNAVIL-UHFFFAOYSA-N;120.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204760;MM204760;C#CC1C=CC(=NO)N1;HXUHQXQNEASMHE-UHFFFAOYSA-N;122.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204761;MM204761;C#CC1C=CC(=CC)O1;LZDBXNNWBVDQMM-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204762;MM204762;C#CC1C=CC(=CF)O1;ILGRVVGNHISULK-UHFFFAOYSA-N;124.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204763;MM204763;CON=CC(C=O)C=O;CCQGCENKPDQTCK-UHFFFAOYSA-N;129.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204764;MM204764;C#CC1C=CC(=NO)O1;XTZJOJCJJLHVOX-UHFFFAOYSA-N;123.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204765;MM204765;CC=C1C=CC(=CC)C1;RNBQKXHHWHBEDO-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204766;MM204766;CC=C1C=CC(=CF)C1;ZCLODLOIEDITQD-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204767;MM204767;FC=C1C=CC(=CF)C1;UKPXMFGSXPQOCT-UHFFFAOYSA-N;128.12;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204768;MM204768;CC=C1C=CC(=NN)C1;WCFVJLQRLIXVMI-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204769;MM204769;OCC1CN=C(NO)O1;IAUYZIFOWNVLGX-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204770;MM204770;NN=C1CN=C(CO)N1;DIVYCQZKYZCNAC-UHFFFAOYSA-N;128.14;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204771;MM204771;ON=C1C=CC(=CF)C1;MKGCUXGMYSWFTQ-UHFFFAOYSA-N;127.12;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204772;MM204772;NN=C1C=CC(=NO)C1;ZCYZYMWMYPCBBY-UHFFFAOYSA-N;125.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204773;MM204773;ON=C1C=CC(=NO)C1;ZUINHTXEPPFOMF-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204774;MM204774;CC=C1C=CC(=NC)N1;WQECUYPFIINXSM-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204775;MM204775;CC=C1C=CC(NN)=N1;VXYXEVRKKNNONH-UHFFFAOYSA-N;123.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204776;MM204776;ON=C1C=CC(=CF)N1;BFNLUEOSPLKQHL-UHFFFAOYSA-N;128.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204777;MM204777;CNC(=O)C#CC1CN1;SLCVZZHNKGWKLN-UHFFFAOYSA-N;124.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204778;MM204778;C=Cc1c[nH]c(=NC)[nH]1;ZEILOCJPAIBULF-UHFFFAOYSA-N;123.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204779;MM204779;C=Cc1c[nH]c(=NN)[nH]1;JYSIYOYBUOPTKQ-UHFFFAOYSA-N;124.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204780;MM204780;CN=c1[nH]cc(C=N)[nH]1;RUQJLXFNMDNFOL-UHFFFAOYSA-N;124.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204781;MM204781;N=Cc1c[nH]c(=NN)[nH]1;IEHNCQPTZSKQJE-UHFFFAOYSA-N;125.14;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204782;MM204782;CCC1NC1C(F)CO;YAXDZWANOONVQO-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204783;MM204783;OCC(F)C1NC1CF;PZVJFOHDDWWRJL-UHFFFAOYSA-N;137.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204784;MM204784;CN=C1C=NC(=NO)N1;VOVABKYHPOWSJO-UHFFFAOYSA-N;126.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204785;MM204785;CN=c1[nH]cc(N=N)[nH]1;VOBUAEIKDBOJLL-UHFFFAOYSA-N;125.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204786;MM204786;N=Nc1c[nH]c(=NO)[nH]1;LIDPTJAMSBWWRU-UHFFFAOYSA-N;127.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204787;MM204787;CC=c1ccc(=CC)o1;PKNKACXSSHTUQZ-UHFFFAOYSA-N;122.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204788;MM204788;CC=c1ccc(=CF)o1;JMAZHOOADQUCAS-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204789;MM204789;CCN1CC1C(F)CO;QQXHIXUVWSASDY-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204790;MM204790;CC=C1C=CC(=NO)O1;DFKFNAUXRWYYMC-UHFFFAOYSA-N;125.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204791;MM204791;C=NN1CC1C(F)CO;NOGXLRUZPQRFRA-UHFFFAOYSA-N;132.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204792;MM204792;CC1C(C#CCO)N1C;DBSWDBDLHGQDEG-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204793;MM204793;Oc1oc(F)c(O)c1O;JGHSEYDGZOGBLA-UHFFFAOYSA-N;134.06;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204794;MM204794;OCc1cc(O)no1;HHDGXHAOLVKSNQ-UHFFFAOYSA-N;115.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204795;MM204795;CC=C(F)CC(C#N)=NO;BTRKJYHTQVRTLO-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204796;MM204796;N=Cn1oc(=NN)[nH]c1=O;WDJKFDQPIHWJHF-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204797;MM204797;CCC1=CCC(CC)C1;SVWDJCFLZRHIOI-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204798;MM204798;CCC1CC=C(CN)C1;SPFPUJSMMPAKCO-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204799;MM204799;CCC1CC=C(CO)C1;UJQOTSNVVRQVMG-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204800;MM204800;CCC1CC=C(CF)C1;DIQZOMBZMMBLDA-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204801;MM204801;CCC1=CCC(CN)C1;CZMQCNBBMOKIQG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204802;MM204802;NCC1=CCC(CN)C1;ONPQKKRSEWNPAS-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204803;MM204803;NCC1CC=C(CO)C1;UQKDZGVELOHHGY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204804;MM204804;NCC1CC=C(CF)C1;YXHSUPVCUAOQLC-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204805;MM204805;CCC1NC1C#CCO;GSPSOPNQINWBQN-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204806;MM204806;NCC1=CCC(CO)C1;IUTKISUETZMSMY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204807;MM204807;CCN1CC1C#CCO;HLQJGHUZEGQLCD-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204808;MM204808;C=CC1NC1C#CCO;BCKFWFOJWNSBTA-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204809;MM204809;CCC1=CCC(CF)C1;RNHVGAXWTMSHFF-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204810;MM204810;NCC1=CCC(CF)C1;KKZVPIKRMZIATH-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204811;MM204811;OCC1=CCC(CF)C1;ZNHDOXXFAAZNHF-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204812;MM204812;FCC1=CCC(CF)C1;IWCFDAWBVFKYIV-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204813;MM204813;CCC1CC=C(OC)C1;PBGSDJZXHUXMCA-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204814;MM204814;COC1=CCC(CN)C1;MJVYMWUTYOIUGA-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204815;MM204815;COC1=CCC(CO)C1;UBXNHKXZIFEXBS-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204816;MM204816;COC1=CCC(CF)C1;HYIHFXCWUJMTCD-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204817;MM204817;CCC1=CCC(NC)C1;JKTCLJWZPNUQCM-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204818;MM204818;CNC1CC=C(CN)C1;GYNLUXBTZPXCAS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204819;MM204819;CNC1CC=C(CO)C1;YRQAHCPKYFXQLT-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204820;MM204820;CNC1CC=C(CF)C1;NNBUMDYARNVJET-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204821;MM204821;CNC1CC=C(OC)C1;DIQPUVCEWPCFMK-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204822;MM204822;CCC1=CCC(OC)C1;AHYUAKCTNCTKPR-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204823;MM204823;COC1CC=C(CN)C1;KCSFVXJMQIUKGN-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204824;MM204824;COC1CC=C(CO)C1;WHURYTCTGRCTDZ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204825;MM204825;COC1CC=C(CF)C1;HONPUQBMGSADKM-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204826;MM204826;COC1=CCC(OC)C1;FDXVGASUYCMAQK-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204827;MM204827;CCC1=NNC(CC)C1;CCMQBQIQJOZYNW-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204828;MM204828;C=NN1CC1C#CCO;JQUKXOHUAMNHJD-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204829;MM204829;CCC1CC(CF)=NN1;CFPROBONRZOJHZ-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204830;MM204830;CCC1=NNC(CN)C1;GTAADAZEXMZQIZ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204831;MM204831;NCC1=NNC(CN)C1;YXMJEDPONBJQOI-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204832;MM204832;NCC1CC(CO)=NN1;ZPHSWCMNAGYFAC-UHFFFAOYSA-N;129.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204833;MM204833;NCC1CC(CF)=NN1;JMYFFDKAAPCEOO-UHFFFAOYSA-N;131.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204834;MM204834;C#CC1NC1C#CCO;PTKLBRZRWUPZTO-UHFFFAOYSA-N;121.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204835;MM204835;C=CN(O)C(=N)C(C)(C)F;AYKZERADLGPAQZ-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204836;MM204836;C=CC(C)(O)CN(N)C=O;WYDBOMIQAXDALG-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204837;MM204837;CCC1=NNC(CF)C1;PPKYGSBPTFIKDW-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204838;MM204838;C=NOCC(O)CC(C)O;KJTUKGRXYRXBSE-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204839;MM204839;CC(=O)N(C)N=C(N)CO;ZVRJKHVFOYTOOB-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204840;MM204840;CN1C(C(F)CO)C1(C)C;DRCOPKMAIWQDQA-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204841;MM204841;COC1=NNC(CN)C1;XBESOVWSBSFBRX-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204842;MM204842;CC(=N)N=CN(O)C=NN;OBHRKENIQNPGNY-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204843;MM204843;CCC1=COC(CC)C1;FUOGATOERUINEM-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204844;MM204844;CCC1CC(CN)=CO1;GFOKIMBAYUSRCK-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204845;MM204845;CCC1CC(CO)=CO1;MDICGOBRFQRYJZ-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204846;MM204846;CCC1CC(CF)=CO1;KFZWSTNEWPUVIJ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204847;MM204847;CCC1=COC(CN)C1;LACCTVAOTHEXDN-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204848;MM204848;NCC1=COC(CN)C1;CVSUTWBYUMCDNC-UHFFFAOYSA-N;128.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204849;MM204849;NCC1CC(CO)=CO1;HTQRGEBSKCMCKH-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204850;MM204850;NCC1CC(CF)=CO1;QIHFALYTQMRJCL-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204851;MM204851;CCC1=COC(CO)C1;JEWHGRCVSSWSAF-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204852;MM204852;NCC1=COC(CO)C1;APDGTARRUQUATA-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204853;MM204853;OCC1=COC(CO)C1;KCIODULNDPGZOQ-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204854;MM204854;OCC1CC(CF)=CO1;ZATRVHSERZUJHI-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204855;MM204855;CCC1=COC(CF)C1;STMQTNGTRVYZAF-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204856;MM204856;OCC1=COC(CF)C1;WUJWUVULESXDKD-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204857;MM204857;FCC1=COC(CF)C1;AJERFOLBGOILML-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204858;MM204858;CCC1CC(OC)=CO1;QLEFTUQUXAOPCB-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204859;MM204859;COC1=COC(CN)C1;AKOVRIYMCCOOKU-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204860;MM204860;COC1=COC(CO)C1;VQLCSFFKTHWMJH-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204861;MM204861;CCC1=COC(OC)C1;APGASMUZMLSXGO-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204862;MM204862;COC1CC(CN)=CO1;DHWFZHPXTXLNMD-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204863;MM204863;COC1CC(CO)=CO1;WDAVUSMGAJLJFO-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204864;MM204864;COC1CC(CF)=CO1;YLWBMZVRIDFJMW-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204865;MM204865;COC1=COC(OC)C1;OYAUHMWZUHTQBB-UHFFFAOYSA-N;130.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204866;MM204866;CCC1=NOC(CC)C1;YDKYVHWSEVQIHX-UHFFFAOYSA-N;127.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204867;MM204867;CCC1CC(CN)=NO1;KYXMSJGRXGXEAR-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204868;MM204868;CC(=NOC(C)C)C(C)O;VKGWTCMJVFKUIM-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204869;MM204869;CCC1CC(CF)=NO1;PPWZPOWFKQUQGL-UHFFFAOYSA-N;131.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204870;MM204870;CCC1=NOC(CN)C1;OSTRPKKMBVWFFI-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204871;MM204871;NCC1=NOC(CN)C1;MYGBQJLSHCRKGO-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204872;MM204872;NCC1CC(CO)=NO1;RLVLQPLADJFSGL-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204873;MM204873;NCC1CC(CF)=NO1;KVNJCCCXQHXWDR-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204874;MM204874;CC(C)ON=CN(O)C=N;DFCWKXODAJDUOR-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204875;MM204875;NCC1=NOC(CO)C1;JMGLGOIJEGNTNL-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204876;MM204876;C=CC(=C)C=NOC(N)=O;KFVJRJXNKVTREF-UHFFFAOYSA-N;140.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204877;MM204877;CC(C)=NN=CN(O)C=N;UYZIYQQEGZPTGM-UHFFFAOYSA-N;142.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204878;MM204878;CCC1CC(=NO)NO1;PYCTTYRYYDRETG-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204879;MM204879;CCC1CC(OC)=NO1;IZYXTSADISRGCX-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204880;MM204880;COC1=NOC(CN)C1;MLFQXSLZJXXRQV-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204881;MM204881;CCC1=NOC(OC)C1;AUJBOBKLVHHWIN-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204882;MM204882;COC1CC(CN)=NO1;VOABXYQIYMTRFV-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204883;MM204883;CN=CN=CN(O)C=NN;SHISRVBQHBIZGO-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204884;MM204884;COC1CC(CF)=NO1;KFYFAAGXOPUEBS-UHFFFAOYSA-N;133.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204885;MM204885;CCC1=NCC(CC)N1;NOTZENBIJQEHPA-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204886;MM204886;CCC1CN=C(CN)N1;AHYYCLJLDFDNJH-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204887;MM204887;CCC1CN=C(CO)N1;VKWBBMYGRIOOCE-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204888;MM204888;CCC1CN=C(CF)N1;JXZIMCFICUOLOA-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204889;MM204889;CCC1=NC(CN)CN1;AIBLQUZURKIMBQ-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204890;MM204890;NCC1=NCC(CN)N1;SAJCJOWNJFLOET-UHFFFAOYSA-N;128.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204891;MM204891;NCC1CN=C(CO)N1;BQASTJBGKWCYHW-UHFFFAOYSA-N;129.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204892;MM204892;CCC1=NCC(CO)N1;AWSCZJVQAMANOG-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204893;MM204893;NCC1=NC(CO)CN1;BQOYYWWGPFAXNC-UHFFFAOYSA-N;129.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204894;MM204894;OCC1=NCC(CO)N1;UYUKPKWWEUJWNZ-UHFFFAOYSA-N;130.15;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204895;MM204895;CC=NN=CN(O)C=NC;DNZYWXPFKVEHBB-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204896;MM204896;CCC1=NC(CF)CN1;LINBUUGVCBOIMO-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204897;MM204897;NCC1=NC(CF)CN1;SUQYKNFGJKMMTD-UHFFFAOYSA-N;131.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204898;MM204898;FCC1=NCC(CF)N1;IITRLUOSNTVSKJ-UHFFFAOYSA-N;134.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204899;MM204899;CCC1CN=C(NC)N1;ODCBEKPXGLUBST-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204900;MM204900;CCC1CN=C(NN)N1;ZMBAKAOAEYJBFJ-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204901;MM204901;CCC1CN=C(NO)N1;TZXGVQDXAKTJGC-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204902;MM204902;CNC1=NCC(CN)N1;MLVSFSZEWSLNHN-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204903;MM204903;NCC1CN=C(NO)N1;RBTIYTFXMGUZRR-UHFFFAOYSA-N;130.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204904;MM204904;CNC1=NCC(CO)N1;IXBWQPRVBPASDX-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204905;MM204905;NNC1=NCC(CO)N1;KRVSAYKFGNJFMZ-UHFFFAOYSA-N;130.15;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204906;MM204906;OCC1CN=C(NO)N1;MAFKJMPDEXBWPO-UHFFFAOYSA-N;131.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204907;MM204907;CNC1=NCC(CF)N1;HGDOKVHYSYPWPS-UHFFFAOYSA-N;131.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204908;MM204908;NNC1=NCC(CF)N1;JOHLKJWBEKYBGO-UHFFFAOYSA-N;132.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204909;MM204909;ONC1=NCC(CF)N1;GCTWAGQANPAVIW-UHFFFAOYSA-N;133.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204910;MM204910;C=C(CCO)N(O)C=NN;QTHSUNAHJFSAAG-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204911;MM204911;COC1=NCC(CF)N1;IPNQQQBNHWWQQW-UHFFFAOYSA-N;132.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204912;MM204912;CCC1=CCC(CC)O1;LFYQEIQAPDCQAD-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204913;MM204913;CCC1CC=C(CN)O1;CWZZIKZVKDCHJA-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204914;MM204914;CCC1CC=C(CO)O1;KIXKVBVGNXBKMV-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204915;MM204915;CCC1CC=C(CF)O1;SNDSPXOEFVPWKZ-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204916;MM204916;CCC1=CCC(CN)O1;JVNIJXZQBVTJDK-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204917;MM204917;NCC1=CCC(CN)O1;UHKCYNYINVYJJN-UHFFFAOYSA-N;128.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204918;MM204918;NCC1CC=C(CO)O1;YTDVXXBADMYXQW-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204919;MM204919;NCC1CC=C(CF)O1;UOCHGPBRWMWXLS-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204920;MM204920;CCC1=CCC(CO)O1;PMPVIUDXLHTWER-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204921;MM204921;NCC1=CCC(CO)O1;SLOGFLOPAQUPPB-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204922;MM204922;OCC1=CCC(CO)O1;FGVBSYGYLRUGGD-UHFFFAOYSA-N;130.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204923;MM204923;OCC1CC=C(CF)O1;ADJFIJLAPKQPRK-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204924;MM204924;CCC1=CCC(CF)O1;DQOVFTBWYLOXJU-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204925;MM204925;NCC1=CCC(CF)O1;GCYHIHOIQYPINC-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204926;MM204926;OCC1=CCC(CF)O1;TUAFXJRPXFNFPK-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204927;MM204927;FCC1=CCC(CF)O1;DGJDCQCPHJOZHY-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204928;MM204928;CCC1=CCC(OC)O1;LXDLGQSRDMJXCH-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204929;MM204929;COC1CC=C(CN)O1;WXVNSKZWRUNGMQ-UHFFFAOYSA-N;129.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204930;MM204930;COC1CC=C(CO)O1;LSTQVEDMMBDCDP-UHFFFAOYSA-N;130.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204931;MM204931;COC1CC=C(CF)O1;NTWKQDIVJVVDOT-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204932;MM204932;C#CCC(=C)N(O)C=NN;LLAPBRNCTKNSQJ-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204933;MM204933;CNC1=NCC(CN)O1;RMIVZOBBNNALNS-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204934;MM204934;NCC1CN=C(NO)O1;QHZDJHBOPZPJIU-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204935;MM204935;CCN=C(C)N(O)CC#N;XXMJXPDHDOHLGA-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204936;MM204936;C=C(C)N(O)C=NOCC;LIQTZYUKRZBVHQ-UHFFFAOYSA-N;144.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204937;MM204937;CC(=NOCC#N)C(C)O;QMBSPYRMCFOYMO-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204938;MM204938;C#CCON=C(C)C(C)O;GQFBBUXXUIVNTM-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204939;MM204939;CCC1=COC(CC)O1;KSLOGHMUUUYLHT-UHFFFAOYSA-N;128.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204940;MM204940;CCC1OC=C(CN)O1;HJFSKJZVDSVZQL-UHFFFAOYSA-N;129.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204941;MM204941;CCC1OC=C(CO)O1;HNVSRNOBDBWVJM-UHFFFAOYSA-N;130.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204942;MM204942;CCC1OC=C(CF)O1;ALOZWATWSPJUTG-UHFFFAOYSA-N;132.13;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204943;MM204943;CCC1=COC(CN)O1;WHNPURGVVJFLMF-UHFFFAOYSA-N;129.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204944;MM204944;NCC1=COC(CN)O1;XZRCXQXPDLSTHY-UHFFFAOYSA-N;130.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204945;MM204945;NCC1OC=C(CO)O1;URXZKZKGPHXAQT-UHFFFAOYSA-N;131.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204946;MM204946;NCC1OC=C(CF)O1;SXGGTHZFHOPCEF-UHFFFAOYSA-N;133.12;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204947;MM204947;CCC1=COC(CO)O1;OBFNSGHJPXMECL-UHFFFAOYSA-N;130.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204948;MM204948;NCC1=COC(CO)O1;RNDNXWYBAIXHOL-UHFFFAOYSA-N;131.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204949;MM204949;OCC1=COC(CO)O1;BCAJXUNSTUSUDD-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204950;MM204950;OCC1OC=C(CF)O1;SXUCUSRAAMHSDG-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204951;MM204951;FCC1=COC(CF)O1;MHWXSICGXJIZAA-UHFFFAOYSA-N;136.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204952;MM204952;CCC1=NOC(CC)O1;FVBATGYYCVDRMR-UHFFFAOYSA-N;129.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204953;MM204953;CCC1ON=C(CO)O1;CZICIVSJUVVIOZ-UHFFFAOYSA-N;131.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204954;MM204954;CCC1ON=C(CF)O1;SVERDBCGSADMTD-UHFFFAOYSA-N;133.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204955;MM204955;OCC1=NOC(CO)O1;VVFFTMYKWURRMO-UHFFFAOYSA-N;133.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204956;MM204956;OCC1ON=C(CF)O1;LGBCLMLSZUQAQY-UHFFFAOYSA-N;135.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204957;MM204957;FCC1=NOC(CF)O1;WQVACQKJEYBTDC-UHFFFAOYSA-N;137.09;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204958;MM204958;CCC1ON=C(NC)O1;YTAUXRDWYBHZRY-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204959;MM204959;C=C(C(C)=O)N(O)C=NC;FFBLECXADFMIRG-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204960;MM204960;CC(CO)(CF)OC=NN;CMUVNRWMDJASRX-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204961;MM204961;C=CC(O)CN=C(N)C=O;VBADLXIUUPIBRI-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204962;MM204962;CCC1(C)NC1C(F)CO;IPIKUUPGAHOGBT-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204963;MM204963;C=CC1(C)NC1C(F)CO;SHKWDRXRDDMRPD-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204964;MM204964;CC1(C#N)NC1C(F)CO;JHXWPAGMSOFNQR-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204965;MM204965;CCC1ON=C(OC)O1;OGTYMAKLTXIRMA-UHFFFAOYSA-N;131.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204966;MM204966;CCC1=CCN(CC)C1;WLISJWQMXNDCQJ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204967;MM204967;CCN1CC=C(CN)C1;WKFBZPSKHSOQMH-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204968;MM204968;CCN1CC=C(CO)C1;MADOLYXILJAHOT-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204969;MM204969;CCN1CC=C(CF)C1;CQUURKXAPZAYNN-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204970;MM204970;CCN1CC=C(OC)C1;XJKYMKFAWAUAKO-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204971;MM204971;C=CC1=CCC(CC)C1;NUEKWVDHAUEODB-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204972;MM204972;CCC1CC=C(C=O)C1;AYMVEQQLWCMCKT-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204973;MM204973;CCC1CC=C(C#N)C1;DRGHTPKHZHHBMB-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204974;MM204974;C=CC1=CCC(CN)C1;JUKKOAFKIAVEGY-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204975;MM204975;CC(=O)ON=C(NN)NN;RETHFMBHKPDXEX-UHFFFAOYSA-N;147.14;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204976;MM204976;C=NN(C)C(C)C(F)CO;GVIWGUDKIYWTGT-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204977;MM204977;CCC(=O)N(C)C(=N)CO;QIDNZQLFOOCSKW-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204978;MM204978;C=CC1=CCC(CF)C1;ACLRVHLQFOYIMQ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204979;MM204979;O=CC1=CCC(CF)C1;NRCRVYAUFOZKQI-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204980;MM204980;N#CC1=CCC(CF)C1;BYHZQXIPGXOKOY-UHFFFAOYSA-N;125.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204981;MM204981;C=CC1=CCC(NC)C1;GKRNFDUTWBOPSE-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204982;MM204982;CNC1CC=C(C=O)C1;TZILQRGCBAITBM-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204983;MM204983;CNC1CC=C(C#N)C1;FXEMVAINILPJOA-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204984;MM204984;C=CC1=CCC(OC)C1;CLJDBPXTMKQBJJ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204985;MM204985;COC1CC=C(C=O)C1;YXCQVNUJVJOEHA-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204986;MM204986;COC1CC=C(C#N)C1;YTNDIIMZKXABCC-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204987;MM204987;CCC1CC(C=O)=CN1;KHCIYLNGVYTYCN-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204988;MM204988;CCC1CC(C#N)=CN1;DVQNSBVDSMWNBT-UHFFFAOYSA-N;122.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204989;MM204989;O=CC1=CNC(CO)C1;LUSMHDAIVHVLQS-UHFFFAOYSA-N;127.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204990;MM204990;C=CC(=O)N(C)C(=N)CO;MOZXGIBHXSQHFC-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204991;MM204991;O=CC1=CNC(CF)C1;JBUDIEAFDHEUMW-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204992;MM204992;N#CC1=CNC(CF)C1;PYOIOHFBDKMUEA-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204993;MM204993;C=CC1=NNC(CC)C1;MXOZSPLMVSTEKS-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204994;MM204994;CNN=CN(O)C=NC=N;TVMIIIRPNJPMEC-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204995;MM204995;C=NOCC(C)=CNC=O;DZOPMFWXYYYGMJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204996;MM204996;C=CC1=NNC(CN)C1;WEWXEAMNIBTKCN-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204997;MM204997;C=NNCC(=C)C(F)CO;IAGWZIKPXSLFQP-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204998;MM204998;C=CC(O)C(=C)CC=NN;MSHZNZVRGKZLSB-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM204999;MM204999;C=C(CC)N(O)C=NOC;MDDKKUVTGPMEBK-UHFFFAOYSA-N;144.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205000;MM205000;C=CC1=NNC(CF)C1;GIHNQJQCXIZWKD-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205001;MM205001;C=C(C=O)N(O)C=NCC;SVQSNIOOROODFZ-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205002;MM205002;CC(C#CCO)N(N)C=O;BXSHZGDHLAJVPL-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205003;MM205003;C=CC1=COC(CC)C1;VFFFOTQSAMIFFP-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205004;MM205004;CCC1CC(C=O)=CO1;KVVMYLQBTCQIDZ-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205005;MM205005;CCC1CC(C#N)=CO1;CZNVKIFYOYEGLO-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205006;MM205006;C=CC1=COC(CN)C1;CPEXFXOGMUQFAB-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205007;MM205007;C=CC1=COC(CO)C1;WYQDZNKDWHNHND-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205008;MM205008;O=CC1=COC(CO)C1;MMNJCOUVUAHYKI-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205009;MM205009;N#CC1=COC(CO)C1;QTQCXYBZHFCELH-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205010;MM205010;C=CC1=COC(CF)C1;RQEOGXKKRFGSLL-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205011;MM205011;O=CC1=COC(CF)C1;HUXCQINLFVEKIP-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205012;MM205012;N#CC1=COC(CF)C1;UIDHVUJPNVJZAG-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205013;MM205013;C=CC1=COC(OC)C1;QQFDOZOFJJRHMV-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205014;MM205014;COC1CC(C=O)=CO1;GKZMHOHANNPUAY-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205015;MM205015;COC1CC(C#N)=CO1;TZVQHCBIISYZJN-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205016;MM205016;C=CC1=NOC(CC)C1;PVNSOGYUXRHXPU-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205017;MM205017;CCC1CC(C=O)=NO1;IVPJTMJCSBDABE-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205018;MM205018;CCC1CC(C#N)=NO1;NKGWMYSHNGJGMG-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205019;MM205019;C=CC1=NOC(CN)C1;LFRDCAZYTRBNEU-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205020;MM205020;CCCON=CN(O)C=N;DLRPZJGDAVIKBT-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205021;MM205021;O=CC1=NOC(CO)C1;DTIZKLQYNUIYTE-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205022;MM205022;N#CC1=NOC(CO)C1;PQOMTXQIUAOZQP-UHFFFAOYSA-N;126.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205023;MM205023;N#CC1=NOC(CF)C1;FCDRDBOHRIAJJK-UHFFFAOYSA-N;128.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205024;MM205024;C=CC1=NOC(OC)C1;AMJWXFSVWIGNQE-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205025;MM205025;COC1CC(C=O)=NO1;FMKVWDBTFKXINA-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205026;MM205026;COC1CC(C#N)=NO1;WZUXTTIWOSDQDN-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205027;MM205027;C=CC1=NCC(CC)N1;GDZAKFSCGDIWSQ-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205028;MM205028;CCC1CN=C(C=O)N1;RGASUBWUKQCFQN-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205029;MM205029;CCC1CN=C(C#N)N1;WKQRZZGRWOEFGH-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205030;MM205030;C=CC1=NCC(CN)N1;VSQGVGBFRGTTQS-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205031;MM205031;C=CC1=NCC(CO)N1;QMXCJLMZWUVTIO-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205032;MM205032;COCON=CN(O)C=N;SPXJMHHTFGTWRW-UHFFFAOYSA-N;147.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205033;MM205033;N=CN(O)C=NOC=NN;HJQJYIZKCOUGLK-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205034;MM205034;C=CC1=NCC(CF)N1;IRDOWSDJGNMSTR-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205035;MM205035;C=CC=NN=CN(O)C=N;FGUPQOGFHPMZPH-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205036;MM205036;N#CC(CCO)N(O)C=N;IGPBHNMYIONIRX-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205037;MM205037;C=CC1=CCC(CC)O1;FUKQYWDYKAYCQK-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205038;MM205038;CCC1CC=C(C=O)O1;QSXRCAQEPICSRF-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205039;MM205039;CCC1CC=C(C#N)O1;RTXQGUZJVNMQKI-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205040;MM205040;C=CC1=CCC(CN)O1;AHCWNGUREUGLOW-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205041;MM205041;C=CC1=CCC(CO)O1;QDVYDKJNILSNNE-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205042;MM205042;O=CC1=CCC(CO)O1;QPZDISLHOMVECG-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205043;MM205043;N#CC1=CCC(CO)O1;HAIAAPBQFKYVSJ-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205044;MM205044;C=CC1=CCC(CF)O1;QBXZPEBABAFXLU-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205045;MM205045;O=CC1=CCC(CF)O1;MISYKJUTQCQFPQ-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205046;MM205046;N#CC1=CCC(CF)O1;MQOVVIISYBEQEM-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205047;MM205047;C=CC1=CCC(OC)O1;RNMBRLGQKVTUCV-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205048;MM205048;COC1CC=C(C=O)O1;DOAGTDNBQIUWBL-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205049;MM205049;COC1CC=C(C#N)O1;VPUUAQIKSPDASY-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205050;MM205050;C=CC1=COC(CC)O1;ZWUHJVPLFQGJGW-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205051;MM205051;CCC1OC=C(C=O)O1;SQTDDHUSTCNPEX-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205052;MM205052;CCC1OC=C(C#N)O1;PFJFEALBIHZPBM-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205053;MM205053;C=CC1=COC(CN)O1;QCNIIMOYYBMVGG-UHFFFAOYSA-N;127.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205054;MM205054;C=CC1=COC(CO)O1;YPULGUUFDDOYQA-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205055;MM205055;O=CC1=COC(CO)O1;NYJWVVUXHVHTBK-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205056;MM205056;N#CC1=COC(CO)O1;WGQRBJLDPFGKCT-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205057;MM205057;C=CC1=NOC(CC)O1;BSJXKOHDFZCGLA-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205058;MM205058;CCC1ON=C(C=O)O1;UMOWGDWNVQSPMF-UHFFFAOYSA-N;129.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205059;MM205059;CCC1ON=C(C#N)O1;CFYNDKXYIIWBOJ-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205060;MM205060;C#CC(C=NN)C(F)CO;TWLBDYZDGWSIMP-UHFFFAOYSA-N;144.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205061;MM205061;O=CC1=NOC(CO)O1;QQUNFHASNSMHKI-UHFFFAOYSA-N;131.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205062;MM205062;N#CC1=NOC(CO)O1;QZTRJDCSFFBQJQ-UHFFFAOYSA-N;128.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205063;MM205063;N#CC1=NOC(CF)O1;NZLYVXQHROXKLX-UHFFFAOYSA-N;130.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205064;MM205064;C=CC1=CCN(CC)C1;FGXQIUCBYYNDPO-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205065;MM205065;C#CC1=CCC(CC)C1;MCLZWXDBTPYCSY-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205066;MM205066;C#CC1=CCC(CN)C1;UCGMJMTVPACYMD-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205067;MM205067;CCOC(=NC)N(O)CC;IDRSETKCBKJBAQ-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205068;MM205068;C#CC1=CCC(CF)C1;GPRBNLOHNHRWFL-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205069;MM205069;C#CC1=CCC(NC)C1;BXELQSINUJEORU-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205070;MM205070;C#CC1=CCC(OC)C1;VFAUTOGIKDIKSV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205071;MM205071;C#CC1=NNC(CC)C1;NOSFMYGEVLRLKW-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205072;MM205072;C#CC1=NNC(CN)C1;YEAQLOVLXMSNIN-UHFFFAOYSA-N;123.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205073;MM205073;C=CN(O)C(CCO)=NN;NTMZWGPKWDFWLO-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205074;MM205074;C#CC1=NNC(CF)C1;OHFIEZJKEZENGN-UHFFFAOYSA-N;126.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205075;MM205075;C#CC1=COC(CC)C1;LWVDPYPGEFWAIH-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205076;MM205076;C#CC1=COC(CN)C1;GSDDBRIORZETDJ-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205077;MM205077;C#CC1=COC(CO)C1;QLNBSYDWEGJGOF-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205078;MM205078;C#CC1=COC(CF)C1;VQUWCIHYPAVFRH-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205079;MM205079;C#CC1=COC(OC)C1;ADTAELIMNGZNGY-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205080;MM205080;C#CC1=NOC(CC)C1;MHRPFJYOKDUKAL-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205081;MM205081;C#CC1=NOC(CN)C1;BOHJYGGZSWDKQD-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205082;MM205082;C#CCC(=NN)N(O)C=C;ALLZJCCYNNSLRI-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205083;MM205083;C#CC1=CCC(CC)O1;DRFBXTDSXOWFEE-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205084;MM205084;C#CC1=CCC(CN)O1;JBEMJSMESBJRFM-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205085;MM205085;C#CC1=CCC(CO)O1;KXWSBAOTVUNNCW-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205086;MM205086;C#CC1=CCC(CF)O1;PPONQSACVTVAON-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205087;MM205087;C#CC1=CCC(OC)O1;QBNPWDPAGSLJOT-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205088;MM205088;C#CC1=COC(CC)O1;YQMYFSZGBUCERG-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205089;MM205089;C#CC1=COC(CN)O1;CDZRHRJUXINEMJ-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205090;MM205090;C#CC1=COC(CO)O1;LQGBIEBXFXQKBQ-UHFFFAOYSA-N;126.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205091;MM205091;C#CC1=NOC(CC)O1;PBNIVZOFKKZTAL-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205092;MM205092;C#CC1=NOC(CO)O1;HOFISMFFGNBGCQ-UHFFFAOYSA-N;127.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205093;MM205093;C#CC1=CCN(CC)C1;DAUDARQDXNYYBS-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205094;MM205094;C=CC1CC=C(CC)C1;FKMHDYZKANHSEK-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205095;MM205095;C=CC1CC=C(CN)C1;IGUVGQXHEQEMBW-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205096;MM205096;CCN=C(OC)N(O)CC;KQYHEPYLEHABHU-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205097;MM205097;C=CC1CC=C(CF)C1;PLRXEDJZPLLLCH-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205098;MM205098;CCC1=CCC(C=O)C1;KGZFWAGZBFBVOB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205099;MM205099;CCC1=CCC(C#N)C1;KTLYYIZWVGZUFV-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205100;MM205100;CN(C)C(CF)C(F)CO;NVONINIPSCQFMK-UHFFFAOYSA-N;153.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205101;MM205101;N#CC1CC=C(CO)C1;CHYHYIWEKUFEBE-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205102;MM205102;O=CC1CC=C(CF)C1;IFGXASOPDWTWQH-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205103;MM205103;N#CC1CC=C(CF)C1;XUEQZUZAHJSLQC-UHFFFAOYSA-N;125.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205104;MM205104;C=CC1CC=C(OC)C1;UGWUTRLSUNFAKE-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205105;MM205105;COC1=CCC(C=O)C1;JXLONXCYEWHZNX-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205106;MM205106;COC1=CCC(C#N)C1;GVOKLNNOPRAFKI-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205107;MM205107;C=CC1CC(CC)=NN1;MCHMIOIZVBBDNA-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205108;MM205108;C#CCNC(C#N)C(N)=O;BRDIIIKISMKJNS-UHFFFAOYSA-N;137.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205109;MM205109;C#CC(N=CNO)C(C)O;DLJLJKLDNTZALN-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205110;MM205110;Cc1nnc(=N)oc1CO;NMEKNFRWURETIE-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205111;MM205111;N#CC(CO)NN=CNO;AEPFODDPHHHAHT-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205112;MM205112;CNN=COC(=CF)CO;BNQQKVXHPUELEQ-UHFFFAOYSA-N;148.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205113;MM205113;CCN=C1CN=C(CO)N1;BHHDAEUQRBAJCI-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205114;MM205114;C=CN=C1CN=C(CO)N1;LHIPIVALHLYOQW-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205115;MM205115;CC1=NOC2(CO)CC2C1;ZAUHOPFRDQSINN-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205116;MM205116;CC#CC1NC(CC)C1=O;JSSNLTTWCVVURN-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205117;MM205117;CN1C(=CF)CN=C1CO;HGGXFXBLXAMAHX-UHFFFAOYSA-N;144.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205118;MM205118;C#CC1C(C(F)CO)N1C;GTINXXJLKXNFSY-UHFFFAOYSA-N;143.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205119;MM205119;C=CC1CC(CC)=CO1;ZIEYFRBSJJUXSR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205120;MM205120;C=CC1CC(CN)=CO1;LLEAMCOOMUNUMH-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205121;MM205121;C=CC1CC(CO)=CO1;JMCQLPIGMSGIIX-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205122;MM205122;C=CC1CC(CF)=CO1;VPTNJIKXVLTQLO-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205123;MM205123;CCC1=COC(C=O)C1;CCJLXWDKDKNHLI-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205124;MM205124;CCC1=COC(C#N)C1;PSXCQEVLMJDSKC-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205125;MM205125;O=CC1CC(CO)=CO1;DTLXDWZZEQDSSW-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205126;MM205126;N#CC1CC(CO)=CO1;VWRGJNIDJFWACL-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205127;MM205127;O=CC1CC(CF)=CO1;FBBSKMGYYMQKSL-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205128;MM205128;N#CC1CC(CF)=CO1;YNPUJXGREPBASV-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205129;MM205129;C=CC1CC(OC)=CO1;YDXRJJYKMDEZBI-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205130;MM205130;COC1=COC(C=O)C1;BTBGVKUHEFPWPZ-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205131;MM205131;COC1=COC(C#N)C1;VLEHBNBVMNQDKZ-UHFFFAOYSA-N;125.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205132;MM205132;C=CC1CC(CC)=NO1;BZVKEEUSOMHHEW-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205133;MM205133;C=CC1CC(CN)=NO1;VDBHZNWCSICHDE-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205134;MM205134;CCCC1NC1C(F)CO;RHAMTCPBYDGSIZ-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205135;MM205135;C=CC1CC(CF)=NO1;JLCNWBACMCJKFH-UHFFFAOYSA-N;129.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205136;MM205136;CCCN1CC1C(F)CO;UMNISOICDRSXHP-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205137;MM205137;CCC1=NOC(C#N)C1;OQPITXAMDVBSMP-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205138;MM205138;C#CCN1CC1C(F)CO;PMNUFJQQTIIQPZ-UHFFFAOYSA-N;143.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205139;MM205139;CC=CC1NC1C(F)CO;RGEIMFBKBNAEDP-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205140;MM205140;CC#CC1NC1C(F)CO;RHTPVMZJXCAXMF-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205141;MM205141;N#CC1CC(CF)=NO1;DUGOQYCCEPPIEY-UHFFFAOYSA-N;128.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205142;MM205142;C=CC1CC(OC)=NO1;HCBLMLNRRWBKRG-UHFFFAOYSA-N;127.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205143;MM205143;CCCN1CC1C#CCO;CATGWYMKCYZIJZ-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205144;MM205144;COC1=NOC(C#N)C1;AKNLPYTUDMLEBS-UHFFFAOYSA-N;126.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205145;MM205145;C=CC1CNC(CC)=N1;TWLNWTFOSVBOSG-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205146;MM205146;C=CC1CNC(CN)=N1;RGDKYFNOIBKJRV-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205147;MM205147;C=CC1CN=C(CO)N1;JARLUPXQURDEJM-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205148;MM205148;C=CC1CNC(CF)=N1;KTLLKXJIIBNRMO-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205149;MM205149;CCC1=NC(C=O)CN1;NFJBEWGKSMYLJB-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205150;MM205150;O=CCN1CC1C#CCO;FRAUCTMYSGKHSF-UHFFFAOYSA-N;139.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205151;MM205151;CC=NN1CC1C#CCO;HPORLQALIXTIRL-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205152;MM205152;C=CC1CN=C(NC)N1;APZIKYZXHAKIDW-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205153;MM205153;C=CC1CN=C(NN)N1;IGVVZDHWSGWXOS-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205154;MM205154;C=CC1CN=C(NO)N1;JIXMAGWTXYIKRG-UHFFFAOYSA-N;127.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205155;MM205155;CNC1=NCC(C=O)N1;CEPMFLSLYHYRMV-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205156;MM205156;CC#CC1NC1C#CCO;AQUQRFNMNIJYEY-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205157;MM205157;O=CC1CN=C(NO)N1;IFXXHBFUCALUAZ-UHFFFAOYSA-N;129.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205158;MM205158;C=CC1C(C#CCO)N1C;SQLLYRGDAGLAOB-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205159;MM205159;CN1C(C#CCO)C1C=O;RHIRWPHJYUNZMN-UHFFFAOYSA-N;139.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205160;MM205160;C=NN1C(C)C1C#CCO;NKGMGQJHQFDWCF-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205161;MM205161;C=CC1CC=C(CC)O1;BONLWALPLCEZHU-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205162;MM205162;C=CC1CC=C(CN)O1;LJMCHLDDHJKQRL-UHFFFAOYSA-N;125.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205163;MM205163;C=CC1CC=C(CO)O1;BSVRHTOEHKTFSK-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205164;MM205164;C=CC1CC=C(CF)O1;GDWYYWAXXDOZJZ-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205165;MM205165;CCC1=CCC(C=O)O1;VXDUGZGSOUHJGW-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205166;MM205166;CCC1=CCC(C#N)O1;CHTNZFCVQVSXJO-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205167;MM205167;O=CC1CC=C(CO)O1;LKJISVNPHNVAHL-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205168;MM205168;N#CC1CC=C(CO)O1;OECZWAFRCUUZGV-UHFFFAOYSA-N;125.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205169;MM205169;O=CC1CC=C(CF)O1;HFDWSXLFWMPSRT-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205170;MM205170;N#CC1CC=C(CF)O1;NKTNPIOPVKGCFC-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205171;MM205171;C#CC1C(C#CCO)N1C;IAOBQSJGORWUOG-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205172;MM205172;NN=c1c(N)cccn1O;ZIFSUGODHJTKOR-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205173;MM205173;CN=c1c(F)cccn1O;CGNHCJPQHWZZER-UHFFFAOYSA-N;142.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205174;MM205174;NN=C1CCC2(CO)OC12;BMJWTTIUGVTWAR-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205175;MM205175;C=CC1OC=C(CC)O1;UJWGVXWLXOVPND-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205176;MM205176;C=CC1OC=C(CN)O1;MRAUFQMPFIZCNK-UHFFFAOYSA-N;127.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205177;MM205177;C=CC1OC=C(CO)O1;RAGCEIHDDLIBQK-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205178;MM205178;C=CC1OC=C(CF)O1;ITVFAFOEAFUEGG-UHFFFAOYSA-N;130.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205179;MM205179;CCC1=COC(C=O)O1;XILPVMYKCQLGIH-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205180;MM205180;CCC1=COC(C#N)O1;IUTSLNNUSMJBQF-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205181;MM205181;O=CC1OC=C(CO)O1;RHOAFWRQSGKPJN-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205182;MM205182;N#CC1OC=C(CO)O1;NBVDLEBFWOWAFI-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205183;MM205183;O=CC1OC=C(CF)O1;SZABHDPKQYVHPJ-UHFFFAOYSA-N;132.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205184;MM205184;N#CC1OC=C(CF)O1;MGXLQNAEKLYGGE-UHFFFAOYSA-N;129.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205185;MM205185;C=CC1ON=C(CC)O1;XUFBUVPNZNHHNO-UHFFFAOYSA-N;127.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205186;MM205186;C=CC1ON=C(CO)O1;QDRSRPIHBSKTAF-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205187;MM205187;C=CC1ON=C(CF)O1;LNODVUSVTVKSCG-UHFFFAOYSA-N;131.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205188;MM205188;O=CC1ON=C(CO)O1;GKCNPBUMAZTPPF-UHFFFAOYSA-N;131.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205189;MM205189;C=CC1ON=C(NC)O1;IXYRAGKFEVPAES-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205190;MM205190;CN=CN(O)C=NN;PTZLFCPPHBLITN-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205191;MM205191;C=NNCC(F)CO;XYIMTZXKHWPXQQ-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205192;MM205192;C=NOCC1(O)CC1;HYLJCGYBULHKQB-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205193;MM205193;C=CC1ON=C(OC)O1;KEANHUNLWBWEDY-UHFFFAOYSA-N;129.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205194;MM205194;COC1=NOC(C=O)O1;HCRYYESZAKZWLQ-UHFFFAOYSA-N;131.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205195;MM205195;CCC1=CCN(C=N)C1;ZWGVKTBTCJRGDH-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205196;MM205196;N=CN1CC=C(CN)C1;PRVGWCSEVSYDSP-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205197;MM205197;N=CN1CC=C(CO)C1;XUBNFWUVPCLXLZ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205198;MM205198;N=CN1CC=C(CF)C1;SMRKPXIKQKPYJD-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205199;MM205199;CCC1=CCN(C=O)C1;VXRBKDOOGBAYBN-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205200;MM205200;NCC1=CCN(C=O)C1;FVLUSOFPMUBSGO-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205201;MM205201;O=CN1CC=C(CO)C1;WZZWHVDONICCSW-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205202;MM205202;O=CN1CC=C(CF)C1;PTIPJIARNPVVQS-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205203;MM205203;COC1=CCN(C=N)C1;HOPLLHVSSHDKQJ-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205204;MM205204;COC1=CCN(C=O)C1;CRFPBOAGTDSKRO-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205205;MM205205;C=NN1CC=C(CC)C1;SYHUMPLTPCWYGO-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205206;MM205206;C=NN1CC=C(CN)C1;XECCGQCJCZFEIA-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205207;MM205207;C=NOC1(CO)CC1;YJZXXLKVBDCSDZ-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205208;MM205208;C=NN1CC=C(CF)C1;MSOBZAYQLMWEIX-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205209;MM205209;C=NN1CC=C(OC)C1;PGFGHZQPXZBHQD-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205210;MM205210;C=CC1=CCC(C=C)C1;ISKURQIMFBOQQL-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205211;MM205211;C=CC1CC=C(C=O)C1;AYJDMPCOYXTCNN-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205212;MM205212;C=CC1CC=C(C#N)C1;APMVQWFQKWBUCA-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205213;MM205213;C=CC1=CCC(C=O)C1;OVJIAPPXKNYWSU-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205214;MM205214;C=CC1=CCC(C#N)C1;CUTSNOAOJGJETE-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205215;MM205215;O=CC1=CCC(C=O)C1;IJDGMHJTTIKVSI-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205216;MM205216;N#CC1CC=C(C=O)C1;MKIPBYKNNBPHMQ-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205217;MM205217;N#CC1=CCC(C=O)C1;STORQUQQVGNQAS-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205218;MM205218;N#CC1=CCC(C#N)C1;WEWLXKJBYKKNFD-UHFFFAOYSA-N;118.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205219;MM205219;C=CC1CC(C=O)=CN1;ZBQVMDKODCMZKY-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205220;MM205220;C=CC1CC(C#N)=CN1;MDKORWGCDUBZKZ-UHFFFAOYSA-N;120.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205221;MM205221;O=CC1=CNC(C=O)C1;WLBUZBCGMPSGMG-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205222;MM205222;N#CC1CC(C=O)=CN1;VDOOICYRWMUUPZ-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205223;MM205223;N=c1ncn(O)cn1;BTJHTBRHCIOPJE-UHFFFAOYSA-N;112.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205224;MM205224;N#CC1=CNC(C#N)C1;HBLUYHTUQLLIRT-UHFFFAOYSA-N;119.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205225;MM205225;C=CC1=NNC(C=C)C1;CXEKDBIXZBEEKT-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205226;MM205226;OCC(F)CN1CC1;ZGKGWXWCCGACHJ-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205227;MM205227;C=C1C(C)N=CN1O;BGIMRRRVIBUSOU-UHFFFAOYSA-N;112.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205228;MM205228;C=CC(C)(O)CNN=C;OLPLYUFMCYAHTE-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205229;MM205229;COC(C)(C=NN)CO;WSIPCZLMEKGICL-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205230;MM205230;C=C1N(O)C=NC1(C)C;POLLBVRDBRPIRG-UHFFFAOYSA-N;126.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205231;MM205231;NN(C=O)CC(F)CO;HYUQSZYWMNRGCQ-UHFFFAOYSA-N;136.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205232;MM205232;C=NN(C)CC(F)CO;YNQKSILEUHKXAZ-UHFFFAOYSA-N;134.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205233;MM205233;CCN=CN(O)C=NN;MBUYMZSNJHUIHK-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205234;MM205234;C=CC1=COC(C=C)C1;HCFCNQWWOPJWTC-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205235;MM205235;C=CC1CC(C=O)=CO1;CCLSBNYNENEKAH-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205236;MM205236;C=CC1CC(C#N)=CO1;IXXWDDLTFYUHAU-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205237;MM205237;C=CC1=COC(C=O)C1;VRWFOHDQTWSFDN-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205238;MM205238;C=CC1=COC(C#N)C1;IDIMZRFAKOGZHY-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205239;MM205239;O=CC1=COC(C=O)C1;ZFZHABJYUNHMIR-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205240;MM205240;N#CC1CC(C=O)=CO1;BJNCHRAAAHOWSH-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205241;MM205241;N#CC1=COC(C=O)C1;UAAXOTWLNJPIDI-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205242;MM205242;C=CC1=NOC(C=C)C1;OKDQXYXYKBYUTM-UHFFFAOYSA-N;123.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205243;MM205243;C=CC1CC(C=O)=NO1;LUGUPYAJPCEZEY-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205244;MM205244;C=CC1CC(C#N)=NO1;DMGLVBHASZBLIH-UHFFFAOYSA-N;122.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205245;MM205245;CN=CN(O)C=NNC;JFBBAGMQMIRQKO-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205246;MM205246;C=CC1=NOC(C#N)C1;DXYURLZUFHDULQ-UHFFFAOYSA-N;122.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205247;MM205247;C=CN(O)C(=N)C(=C)F;JTMMLMQCJBRUMD-UHFFFAOYSA-N;130.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205248;MM205248;N#CC1CC(C=O)=NO1;OIGHFFYWNBRZQW-UHFFFAOYSA-N;124.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205249;MM205249;N#CC1=NOC(C=O)C1;JCNDFLDOKFMGSJ-UHFFFAOYSA-N;124.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205250;MM205250;N#CC1=NOC(C#N)C1;UNWQEIBSCPPJEE-UHFFFAOYSA-N;121.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205251;MM205251;C=CC1=NCC(C=C)N1;LSNKZXDOONHSLP-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205252;MM205252;C=NN=CN(O)C(=C)C;NPLMQCYYVTZYSV-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205253;MM205253;N#CCNCC(F)CO;PFLCVKAVKWOAFJ-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205254;MM205254;C=CC1=NC(C=O)CN1;DTWHCTIPUPAXEW-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205255;MM205255;NN(C=O)CC#CCO;CLHNUZHXYJDUCB-UHFFFAOYSA-N;128.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205256;MM205256;N#CC1CNC(C=O)=N1;FKXUJSMJPGIQCK-UHFFFAOYSA-N;123.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205257;MM205257;C=NN(C)CC#CCO;KMQNUOOMKXHLPM-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205258;MM205258;C=CN(O)C(C)=NN=C;SEZJFVWAJFHTSC-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205259;MM205259;C=CC1=CCC(C=C)O1;JKZCFZLDMJTYEA-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205260;MM205260;C=CC1CC=C(C=O)O1;VAMXPGXCMMLJRP-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205261;MM205261;C=CC1CC=C(C#N)O1;WHUXDJBTGAXSJU-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205262;MM205262;C=CC1=CCC(C=O)O1;DXZQLVIZLSHGKU-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205263;MM205263;C=CC1=CCC(C#N)O1;NBYZJHQYQUTXIC-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205264;MM205264;O=CC1=CCC(C=O)O1;JWVIZIPAKVZPIN-UHFFFAOYSA-N;126.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205265;MM205265;N#CC1CC=C(C=O)O1;LRXZWSLZXLKVOG-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205266;MM205266;N#CC1=CCC(C=O)O1;KUUPFDACHRZGME-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205267;MM205267;N#CC1=CCC(C#N)O1;MXRWQJQRZXCIEZ-UHFFFAOYSA-N;120.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205268;MM205268;C=CC1=COC(C=C)O1;PQAUKHAQWHCWMF-UHFFFAOYSA-N;124.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205269;MM205269;C=CC1OC=C(C=O)O1;GZLPBNCWNBWBBP-UHFFFAOYSA-N;126.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205270;MM205270;C=CC1OC=C(C#N)O1;XAWJYALWLDIYSW-UHFFFAOYSA-N;123.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205271;MM205271;C=CC1=COC(C=O)O1;UHRYAGURKBLLIJ-UHFFFAOYSA-N;126.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205272;MM205272;C=CC1=COC(C#N)O1;LJWNCUZYUHKUNM-UHFFFAOYSA-N;123.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205273;MM205273;O=CC1=COC(C=O)O1;KTPRUKXQBZFJHE-UHFFFAOYSA-N;128.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205274;MM205274;N#CC1=COC(C=O)O1;XDKFNMHTWTVEOL-UHFFFAOYSA-N;125.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205275;MM205275;C=CC1=NOC(C=C)O1;YJUQTHVMYOBAIK-UHFFFAOYSA-N;125.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205276;MM205276;C=CC1ON=C(C=O)O1;GXIRIOZFPDDZRO-UHFFFAOYSA-N;127.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205277;MM205277;C=CC1ON=C(C#N)O1;DORULTOXCISVMW-UHFFFAOYSA-N;124.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205278;MM205278;C=CC1=NOC(C=O)O1;OZIRGHQQKWMYFT-UHFFFAOYSA-N;127.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205279;MM205279;O=CC1=NOC(C=O)O1;JKAJLGNXSRHTBO-UHFFFAOYSA-N;129.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205280;MM205280;N#CC1=NOC(C=O)O1;ZFGYCGHPMWINEV-UHFFFAOYSA-N;126.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205281;MM205281;C=CC1=CCN(C=N)C1;MFAWLJCLXOCOBY-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205282;MM205282;N=CN1CC=C(C=O)C1;NBDOMMCGYCMXDG-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205283;MM205283;N#CC1=CCN(C=N)C1;JWJQTBMMXMFQNO-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205284;MM205284;C=CC1=CCN(C=O)C1;INCDBRFXSADXGL-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205285;MM205285;O=CC1=CCN(C=O)C1;KDAPFZREYOEOMI-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205286;MM205286;N#CC1=CCN(C=O)C1;NKXAKENTJVEEPC-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205287;MM205287;C=CC1=CCN(N=C)C1;QFUZLHSERJPSBQ-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205288;MM205288;C=NN1CC=C(C=O)C1;DGXIUWVKHOADDH-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205289;MM205289;C=NN1CC=C(C#N)C1;RGPFBNSGHAYRAQ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205290;MM205290;N=CN1CC(C=O)=CN1;DTSVVCPSTMPHBE-UHFFFAOYSA-N;125.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205291;MM205291;N#CC1=CNN(C=N)C1;HBJJVWSAGYEGGQ-UHFFFAOYSA-N;122.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205292;MM205292;O=CC1=CNN(C=O)C1;LLEWECRVACXNLZ-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205293;MM205293;N#CC1=CNN(C=O)C1;DOLWHGQFOSSQDR-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205294;MM205294;C#CC1=CCC(C=C)C1;ZOVSNNONBMIQCN-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205295;MM205295;C#CC1=CCC(C=O)C1;PTEAFYCVJWDYAD-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205296;MM205296;C#CC1=CCC(C#N)C1;FGQGFNIGVADFLO-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205297;MM205297;C#CC1=NNC(C=C)C1;DZHVGEGSNOKFEW-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205298;MM205298;CC=NOCC1(O)CC1;QBOKWNTUUTZYMS-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205299;MM205299;CC1CN1CC(F)CO;QUTAZOZDZKYMHA-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205300;MM205300;C#CC1=COC(C=C)C1;DRTGJUAKPYWOLA-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205301;MM205301;C#CC1=COC(C=O)C1;VMTHTUYXTSXHDS-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205302;MM205302;C#CC1=COC(C#N)C1;SFNCBIZWDBOGLT-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205303;MM205303;C#CC1=NOC(C=C)C1;LNNDXISTNAIQKE-UHFFFAOYSA-N;121.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205304;MM205304;CC1CCN(O)C(=N)O1;XBYQFANAGPFCGP-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205305;MM205305;C#CC1=NOC(C#N)C1;DEMOLUIZBOVZPU-UHFFFAOYSA-N;120.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205306;MM205306;N=c1nncc(CO)o1;DXCFJCFPICZYJG-UHFFFAOYSA-N;127.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205307;MM205307;C#CC1=CCC(C=C)O1;PPTDQNLLZCKPRQ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205308;MM205308;C#CC1=CCC(C=O)O1;MIWQIFXHEPNFGS-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205309;MM205309;C#CC1=CCC(C#N)O1;VCYOSSGPNJRRQL-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205310;MM205310;C#CC1=COC(C=C)O1;ANRZTWHSWRSWLK-UHFFFAOYSA-N;122.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205311;MM205311;C#CC1=COC(C=O)O1;IFUHKGVHAAOMBE-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205312;MM205312;C#CC1=COC(C#N)O1;RFRSNKXUBOBKBA-UHFFFAOYSA-N;121.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205313;MM205313;C#CC1=NOC(C=C)O1;WBZOFZPSMFZVTO-UHFFFAOYSA-N;123.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205314;MM205314;C#CC1=NOC(C=O)O1;YPPBTTLCFCNPNV-UHFFFAOYSA-N;125.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205315;MM205315;C#CC1=CCN(C=N)C1;NBVHVSQTAGITAE-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205316;MM205316;C#CC1=CCN(C=O)C1;ODZNKVLZCGDSQT-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205317;MM205317;C#CC1=CCN(N=C)C1;HKALUWIUMNUFBJ-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205318;MM205318;C#CC1CC=C(CC)C1;GFMOEAYIXUCAHG-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205319;MM205319;C#CC1CC=C(CN)C1;JTQLGOHKPWXJKU-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205320;MM205320;C#CC1CC=C(CO)C1;OYIAFZQQXFDXGW-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205321;MM205321;C#CC1CC=C(CF)C1;VTBATKVHEHNWDM-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205322;MM205322;C#CC1CC=C(OC)C1;XFQIPFYZHAYFFR-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205323;MM205323;C=C1C(CC)N=CN1O;WWJPNSHOABNPAZ-UHFFFAOYSA-N;126.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205324;MM205324;C=CC1N=CN(O)C1=C;RSGPEVANVSUFFE-UHFFFAOYSA-N;124.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205325;MM205325;NN=COC(CO)CO;JWWNGVNZKQEMEP-UHFFFAOYSA-N;134.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205326;MM205326;CC(C#CCO)N1CC1;OKTIEBXWLLBHRE-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205327;MM205327;C#CC1CC(CC)=CO1;WOPDRDGLXGODBR-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205328;MM205328;C#CC1CC(CN)=CO1;LUTYTMSQPUEEQF-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205329;MM205329;C#CC1CC(CO)=CO1;KPCYVRXLUOHZHY-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205330;MM205330;C#CC1CC(CF)=CO1;JTSCVDZESLVIBU-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205331;MM205331;C#CC1CC(OC)=CO1;MHPNTMVSGFXHBZ-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205332;MM205332;C#CC1CC(CC)=NO1;PHKOCZXPPFBGBM-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205333;MM205333;C#CC1CC(CN)=NO1;GKHHRTWNDIPVLC-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205334;MM205334;OCC12CC3NC3C1O2;CBNFKNUDVZGZEV-UHFFFAOYSA-N;127.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205335;MM205335;C#CC1CC(CF)=NO1;WTXAMQXOJZLKBE-UHFFFAOYSA-N;127.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205336;MM205336;C#CC1CC(OC)=NO1;MFSRFLFHKHHNDS-UHFFFAOYSA-N;125.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205337;MM205337;C#CC1CNC(CC)=N1;JREQEJNPWDDYMT-UHFFFAOYSA-N;122.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205338;MM205338;C#CC1CNC(CN)=N1;LSAQOEWNQIYFPH-UHFFFAOYSA-N;123.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205339;MM205339;C#CC1CNC(CF)=N1;UCZGHLGCFRLLKZ-UHFFFAOYSA-N;126.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205340;MM205340;C#CC1CN=C(NC)N1;PZXJKUAYSVLRSS-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205341;MM205341;C#CC1CN=C(NN)N1;TVGIGJPVHQWMJY-UHFFFAOYSA-N;124.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205342;MM205342;C#CC1CN=C(NO)N1;GKYJBACTUGDVCX-UHFFFAOYSA-N;125.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205343;MM205343;C#CC1CN=C(OC)N1;VSXOVOJURKAVKI-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205344;MM205344;C#CC1CC=C(CC)O1;DTNXQBVCFPTONI-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205345;MM205345;C#CC1CC=C(CN)O1;SDBGJDSHQSUPRC-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205346;MM205346;C#CC1CC=C(CO)O1;RRKRMDHTGRKCBO-UHFFFAOYSA-N;124.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205347;MM205347;C#CC1CC=C(CF)O1;GPUPQWJORHUQGG-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205348;MM205348;C=CC(C)(O)CNN=CC;UZFYWOBMGOJRKW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205349;MM205349;NC(=O)C(F)CN(N)C=O;SKEZWCOAKJEBKT-UHFFFAOYSA-N;149.13;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205350;MM205350;C#CC1OC=C(CC)O1;LXFWQJPYXCLXOW-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205351;MM205351;C#CC1OC=C(CN)O1;BVLGMNPLGOHPET-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205352;MM205352;C#CC1OC=C(CO)O1;OJKWUXTZCBLDCI-UHFFFAOYSA-N;126.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205353;MM205353;C#CC1OC=C(CF)O1;MMIZPGSFFUNQSH-UHFFFAOYSA-N;128.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205354;MM205354;C#CC1ON=C(CC)O1;WOJAUTUFIMQAGU-UHFFFAOYSA-N;125.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205355;MM205355;C#CC1ON=C(CO)O1;FUTCPMYFPXFRMR-UHFFFAOYSA-N;127.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205356;MM205356;C#CC1ON=C(CF)O1;AQLFHPXQGOICFQ-UHFFFAOYSA-N;129.09;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205357;MM205357;C#CC1ON=C(NC)O1;VGUBCPBCTBRJKG-UHFFFAOYSA-N;126.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205358;MM205358;CC(C)=NNCC(F)CO;YNMMSKWMSAXOTD-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205359;MM205359;CN(CCF)CC(F)CO;MESCBOCOEWUJJZ-UHFFFAOYSA-N;153.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205360;MM205360;C#CC1ON=C(OC)O1;LJNLRNYUOPOPRB-UHFFFAOYSA-N;127.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205361;MM205361;C#CC1CC=C(C=C)C1;QECOHDRHGPBJNW-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205362;MM205362;C#CC1CC=C(C=O)C1;DOXKUNKJTZJWIW-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205363;MM205363;C#CC1CC=C(C#N)C1;GOOHLINHOFMZFS-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205364;MM205364;C#CC1CC(C=O)=CN1;GTMSJLAXEVOZBL-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205365;MM205365;C#CC1CC(C#N)=CN1;ZHZQBNJPWYXBCZ-UHFFFAOYSA-N;118.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205366;MM205366;C=C(F)CN(O)C(=N)OC;NHYOJNCXKZXGGW-UHFFFAOYSA-N;148.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205367;MM205367;NN=CN(N)CC#CCO;WPEIKFGAPRWMLB-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205368;MM205368;C=C(C)C(O)CNCC#N;VBKMTQQGOZBNNE-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205369;MM205369;C#CC1CC(C=C)=CO1;GERCAPWABLMFMG-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205370;MM205370;C#CC1CC(C=O)=CO1;RAXUWHRKSVUEOZ-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205371;MM205371;C#CC1CC(C#N)=CO1;MJGRFNCWHUUTMY-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205372;MM205372;C#CC1CC(C=C)=NO1;USSCYCHYRXZCKB-UHFFFAOYSA-N;121.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205373;MM205373;C#CC1CC(C=O)=NO1;YESCKPWIHBXNMB-UHFFFAOYSA-N;123.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205374;MM205374;C#CC1CC(C#N)=NO1;PNVFEDYRMUHCTG-UHFFFAOYSA-N;120.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205375;MM205375;C=C(C)N(O)C=NN=CC;NUFZYWXYIGLOFT-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205376;MM205376;CN(C=O)NCC(F)CO;PUBHIJUVURCAKH-UHFFFAOYSA-N;150.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205377;MM205377;C#CC1CC=C(C=C)O1;MSRXTODOKKCEGW-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205378;MM205378;C#CC1CC=C(C=O)O1;CIHDHKUEDSODBT-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205379;MM205379;C#CC1CC=C(C#N)O1;AFFADHAQXOKHMX-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205380;MM205380;C#CC1OC=C(C=C)O1;NPWZOZLONKZYAD-UHFFFAOYSA-N;122.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205381;MM205381;C#CC1OC=C(C=O)O1;BNURKEFWOUQCAJ-UHFFFAOYSA-N;124.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205382;MM205382;C#CC1OC=C(C#N)O1;TZNYXWHICKPTQZ-UHFFFAOYSA-N;121.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205383;MM205383;C#CC1ON=C(C=C)O1;AVWDNOGTNPQCKZ-UHFFFAOYSA-N;123.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205384;MM205384;C#CC1ON=C(C=O)O1;GDLCGOSAPUKZKO-UHFFFAOYSA-N;125.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205385;MM205385;C#CC1ON=C(C#N)O1;WMMRTHNUIVYGGY-UHFFFAOYSA-N;122.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205386;MM205386;C#CC1=CCC(C#C)C1;JSYUZUBFGNKSRI-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205387;MM205387;N#CC(=N)NCC(F)CO;MSZMUNORNLMDGN-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205388;MM205388;C#CC1=COC(C#C)C1;CKAFCHWMWJGLEL-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205389;MM205389;C#CC1=NOC(C#C)C1;CBRJPEIBABSAJE-UHFFFAOYSA-N;119.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205390;MM205390;C#CC1=CCC(C#C)O1;YQUVTOYHJDQTCB-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205391;MM205391;C#CC1=COC(C#C)O1;RERWADPHJVNAIH-UHFFFAOYSA-N;120.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205392;MM205392;C#CC1=NOC(C#C)O1;CDNAFHRGRRDKSU-UHFFFAOYSA-N;121.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205393;MM205393;CC=C1CC=C(CC)C1;KACQSTYIOFDIDC-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205394;MM205394;CC=C1CC=C(CN)C1;BKVOQDUNSYEPMB-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205395;MM205395;NN(C=O)C=CC(F)CO;DOTOJWXCSCBFNK-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205396;MM205396;CC=C1CC=C(CF)C1;ONXTVDKFUSENAS-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205397;MM205397;CCC1=CCC(=CF)C1;SJLDFZDOXSDREF-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205398;MM205398;NCC1=CCC(=CF)C1;UZGKNCWHGRWVCO-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205399;MM205399;C=CC1(O)CCC(=NN)C1;OWLCEOIBRWUJNG-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205400;MM205400;FC=C1CC=C(CF)C1;BPHXBRJZGUBLRE-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205401;MM205401;CC=C1CC=C(OC)C1;KIBCOXYPXHZRME-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205402;MM205402;COC1=CCC(=CF)C1;XZLLPDBJKAJYNA-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205403;MM205403;CCC1=CCC(=NN)C1;NTRKFUJGBVGEBH-UHFFFAOYSA-N;124.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205404;MM205404;C=NN(C=N)CC(F)CO;UNPMOPBOFOHYRF-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205405;MM205405;NN=C1CC=C(CF)C1;BEQUQGRXAUMODL-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205406;MM205406;CCC1=CCC(=NO)C1;OODWXYBTMWFNPE-UHFFFAOYSA-N;125.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205407;MM205407;NCC1=CCC(=NO)C1;XQSPZHZTKPSQKC-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205408;MM205408;OCC1=CCC(=NO)C1;WGVCLFGOIBCIKO-UHFFFAOYSA-N;127.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205409;MM205409;ON=C1CC=C(CF)C1;LUHVPVZIZGVXRS-UHFFFAOYSA-N;129.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205410;MM205410;COC1=CCC(=NN)C1;OTCLIBKVOXKJNH-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205411;MM205411;COC1=CCC(=NO)C1;QFPJIFMAAHBSJH-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205412;MM205412;CCC1=CN=C(NC)C1;MMVXOKSVFSKNJN-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205413;MM205413;CN=C1CC(CN)=CN1;JVBCOIBEAWTNJL-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205414;MM205414;CN=C1CC(CO)=CN1;HVDOFZMJSVEKKM-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205415;MM205415;CN=C1CC(CF)=CN1;CRSQOSIPYWBJTD-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205416;MM205416;CCC1=CN=C(NN)C1;RPQHHOVVKHZCIX-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205417;MM205417;NCC1=CN=C(NO)C1;QYPLRRRLZIGLJN-UHFFFAOYSA-N;127.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205418;MM205418;C=NN(C=O)CC(F)CO;FYENHZKRQGDFPM-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205419;MM205419;CNC1=NC=C(OC)C1;ZAGDTYZHVMQVES-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205420;MM205420;CC(=NN)OC(CO)CO;GXDGHYPWFWOVFX-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205421;MM205421;C=NN1CC(CO)(OC)C1;WTASECZZSLOWER-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205422;MM205422;C=CN(O)C(=N)C(F)=CC;CSKLCSMIZUIOBA-UHFFFAOYSA-N;144.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205423;MM205423;C=CN(O)C(=N)C(F)=CF;XAHSUUUROLFRJF-UHFFFAOYSA-N;148.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205424;MM205424;CCN=CN(O)C=NNC;NOKHELNZJIWILR-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205425;MM205425;NN=C1CC(CO)=NN1;OBDBZUKKAHJYGD-UHFFFAOYSA-N;128.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205426;MM205426;NN=C1CC(CF)=NN1;BHFHMHDWFHLRFH-UHFFFAOYSA-N;130.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205427;MM205427;CCC1=NN=C(NO)C1;KHRYXJAMYGCXMN-UHFFFAOYSA-N;127.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205428;MM205428;OCC1=NN=C(NO)C1;HWGHBMDKNQUJGR-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205429;MM205429;ON=C1CC(CF)=NN1;YERXHXGIBZTAKD-UHFFFAOYSA-N;131.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205430;MM205430;N=CN=CN(O)C=NC=O;KJCLUJMYJCDXRD-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205431;MM205431;C=NN1CC1(C)C(O)CC;KKXXRPUREBBAEC-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205432;MM205432;COC1=NN=C(NO)C1;UEWCCHKATAVFKW-UHFFFAOYSA-N;129.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205433;MM205433;CC=C1CC(CC)=CO1;GRIDOKGJBPHKEB-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205434;MM205434;CC=C1CC(CN)=CO1;BOKAHXVPKVQIIU-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205435;MM205435;CC=C1CC(CO)=CO1;KULMNJKCIXPJFF-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205436;MM205436;CC=C1CC(CF)=CO1;APHABMJBAQYKAE-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205437;MM205437;CCC1=COC(=CF)C1;QHJLGOKXYYQCAQ-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205438;MM205438;NCC1=COC(=CF)C1;LBCBXGQEQRGLFZ-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205439;MM205439;OCC1=COC(=CF)C1;ZCMZBUKVLZBAHX-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205440;MM205440;FC=C1CC(CF)=CO1;YTXYIJMNYSYVOB-UHFFFAOYSA-N;132.11;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205441;MM205441;CC=C1CC(OC)=CO1;NPWKHMMZYHMFRY-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205442;MM205442;COC1=COC(=CF)C1;AMMYPODKMCSKBN-UHFFFAOYSA-N;130.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205443;MM205443;C#CCOC(=N)N(O)CC;GEVCARBUNLVSRD-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205444;MM205444;C=CN(O)C(C)=NN=CC;KLMWZZRQLKSJOS-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205445;MM205445;N#CCCNCC(F)CO;AZSHKFGRXPSVOK-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205446;MM205446;CCC1=COC(=NO)C1;QWXUXGSQZZKESU-UHFFFAOYSA-N;127.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205447;MM205447;NCC1=COC(=NO)C1;TVOAVYPWMARQRK-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205448;MM205448;OCC1=COC(=NO)C1;IOMYQPQZBGTSAG-UHFFFAOYSA-N;129.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205449;MM205449;ON=C1CC(CF)=CO1;FLJPMDMMYVTNNW-UHFFFAOYSA-N;131.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205450;MM205450;N#CC=CNCC(F)CO;OGIADCVGWSEMGR-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205451;MM205451;COC1=COC(=NO)C1;BBGDGAWSQPRPKV-UHFFFAOYSA-N;129.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205452;MM205452;CCC1=NOC(=NN)C1;IEQPNTAGDSQSGV-UHFFFAOYSA-N;127.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205453;MM205453;NN=C1CC(CO)=NO1;UDNKEKBZJMMTGW-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205454;MM205454;NN=C1CC(CF)=NO1;VTCFICCIHLEYOK-UHFFFAOYSA-N;131.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205455;MM205455;CCC1=NOC(=NO)C1;PIIHKLCDZPJQOG-UHFFFAOYSA-N;128.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205456;MM205456;NCC1=NOC(=NO)C1;GUEYVODVFNWVOL-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205457;MM205457;OCC1=NOC(=NO)C1;HLPRHTBEOIVRDY-UHFFFAOYSA-N;130.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205458;MM205458;ON=C1CC(CF)=NO1;HGZUKMALEVQROB-UHFFFAOYSA-N;132.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205459;MM205459;COC1=NOC(=NN)C1;JOJZDTPDHIFOTN-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205460;MM205460;COC1=NOC(=NO)C1;TZAQJYQLFNRWJX-UHFFFAOYSA-N;130.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205461;MM205461;CCC1=CCC(=NC)N1;RMLCGLQBDYIOAQ-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205462;MM205462;CN=C1CC=C(CN)N1;UXSNRSDFLKUTDF-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205463;MM205463;CN=C1CC=C(CO)N1;ICGKFNAFBSBSKT-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205464;MM205464;CN=C1CC=C(CF)N1;LIUXFHZXYYBSSR-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205465;MM205465;NNC1=NC(CF)=CC1;WPGHTIHBDOFAEX-UHFFFAOYSA-N;129.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205466;MM205466;C=CC=NNCC(F)CO;GUBZGURLNSQVKA-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205467;MM205467;C#CC=NOCC(=O)C#N;AIEKKZAHUOVAOC-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205468;MM205468;CNC1=NC(OC)=CC1;NSKSQDHQFBTUBT-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205469;MM205469;COC1=CCC(=NO)N1;OVTKDAHUSGIVIM-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205470;MM205470;CC=C1CNC(CC)=N1;BDVPMRFDDSOTMB-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205471;MM205471;CC=C1CN=C(CN)N1;XXOSNNIODLNFCM-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205472;MM205472;CC=C1CN=C(CF)N1;YBHPCEJFPODFRV-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205473;MM205473;NCC1=NC(=CF)CN1;YRKPDKNYWAHDNX-UHFFFAOYSA-N;129.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205474;MM205474;FC=C1CNC(CF)=N1;DUVWZMWDQHWNBW-UHFFFAOYSA-N;132.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205475;MM205475;CC=C1CN=C(NC)N1;OMFJVRUYBMDHHR-UHFFFAOYSA-N;125.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205476;MM205476;CC=C1CN=C(NN)N1;JAIGBZZWYILEQC-UHFFFAOYSA-N;126.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205477;MM205477;CC=C1CN=C(NO)N1;DOHBUHWVVGDIJJ-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205478;MM205478;CNC1=NCC(=CF)N1;OXDNNDKVJRWEKR-UHFFFAOYSA-N;129.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205479;MM205479;NNC1=NCC(=CF)N1;DNYOUOCQJJVESE-UHFFFAOYSA-N;130.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205480;MM205480;CC=C1CN=C(OC)N1;HLNULADUXFABPB-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205481;MM205481;N=CN(O)C=NNCC=O;LQPGOWHLKFMSAX-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205482;MM205482;CN=CNN=CN(O)C=N;JKSCXSBVFXYUQC-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205483;MM205483;COC=NOCC1(O)CC1;IPPQVCINXLGAFU-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205484;MM205484;C=CC=NOCC1(O)CC1;AQMLEEGVTYBFBQ-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205485;MM205485;C#CC=NOCC1(O)CC1;QUZGCSKHJHCXTN-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205486;MM205486;NCC1=NC(=NO)CN1;PTYYPWWWSDMPTN-UHFFFAOYSA-N;128.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205487;MM205487;C#CC(=O)N(NC)C(N)=O;RKALSUSTSBCHNV-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205488;MM205488;ON=C1CN=C(CF)N1;AWCFOEVXGFZOFD-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205489;MM205489;CN=C1CN=C(NC)N1;SADZUNNGMKCDLP-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205490;MM205490;CN=C1CN=C(NN)N1;UJUKHXYALAOEOR-UHFFFAOYSA-N;127.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205491;MM205491;CNC1=NCC(=NN)N1;XUMCIHVFSSYPMG-UHFFFAOYSA-N;127.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205492;MM205492;NN=C1CN=C(NN)N1;GJJOHIKHPAVNOC-UHFFFAOYSA-N;128.14;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205493;MM205493;CNC1=NCC(=NO)N1;GKJTVEXWFJROAL-UHFFFAOYSA-N;128.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205494;MM205494;CCC(C(N)=O)C(C)=NN;AELJTULDFQCTAQ-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205495;MM205495;Cc1c(F)c(N)c(N)n1O;JLHVRBOOZHYMIQ-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205496;MM205496;COC1=NCC(NO)=N1;LNEWTVOYRQIDEH-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205497;MM205497;CCc1c[nH]c(=NC)[nH]1;BRAXYWALXIRYTB-UHFFFAOYSA-N;125.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205498;MM205498;CN=c1[nH]cc(CN)[nH]1;GOQDDAXPQLOUCX-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205499;MM205499;CN=c1[nH]cc(CO)[nH]1;SDCPKCFVPWCHAI-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205500;MM205500;CN=c1[nH]cc(CF)[nH]1;SSEXMCRQQBHMSE-UHFFFAOYSA-N;129.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205501;MM205501;CCc1c[nH]c(=NN)[nH]1;HCGADBVUYGWDQE-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205502;MM205502;NN=c1[nH]cc(CO)[nH]1;JQYVOPOQEXKNBC-UHFFFAOYSA-N;128.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205503;MM205503;NN=c1[nH]cc(CF)[nH]1;KVCVNOOAOQGSTR-UHFFFAOYSA-N;130.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205504;MM205504;CC1C(C)N1CC(F)CO;GQDTVSSEOKVDDM-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205505;MM205505;CN=c1[nH]cc(NC)[nH]1;JRJLLLVLTLDRIU-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205506;MM205506;CNc1c[nH]c(=NN)[nH]1;ZTSQWUCGLSTQMI-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205507;MM205507;CN=c1[nH]cc(OC)[nH]1;IOOGVXZCVDKNEU-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205508;MM205508;COc1c[nH]c(=NN)[nH]1;JYXRXKFXHOWKRN-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205509;MM205509;CCc1nnc(O)[nH]1;NSYKPXCGPMWPGL-UHFFFAOYSA-N;113.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205510;MM205510;CCc1coc(=NN)[nH]1;PHHUKEMHEOTAHE-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205511;MM205511;CN=c1[nH]c(NC)co1;DWUGMPPACXURCB-UHFFFAOYSA-N;127.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205512;MM205512;CNc1coc(=NO)[nH]1;ALTHXZOPYPTGCS-UHFFFAOYSA-N;129.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205513;MM205513;C=CCNC=C(C)C(=O)O;JRMOIYSFRNIJHP-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205514;MM205514;NNc1cc(O)n(O)n1;YBNQHGOPAAFDDZ-UHFFFAOYSA-N;130.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205515;MM205515;C=Nn1nnc(N)c1O;WKXCVJZUAJWACQ-UHFFFAOYSA-N;127.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205516;MM205516;C=NN=COC(C#N)=NO;KTNCSNGAMWIMCV-UHFFFAOYSA-N;140.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205517;MM205517;Oc1c(F)coc1F;JXEQBLMAWMZSTQ-UHFFFAOYSA-N;120.05;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205518;MM205518;O=CC(CC(F)(F)F)=NO;UGYYIKYAVWJENA-UHFFFAOYSA-N;155.08;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205519;MM205519;CON=COC(C#N)=NO;NVLFTCMZPWOIAZ-UHFFFAOYSA-N;143.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205520;MM205520;CC=Cc1ncc(O)o1;OFWPFRVNMXRVAB-UHFFFAOYSA-N;125.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205521;MM205521;CC#CC#CC(F)C=NO;HLEJRMGPSLNXDB-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205522;MM205522;COC(C#N)(C=NO)CO;GSOTUFCLTUCKFB-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205523;MM205523;O=c1oc(=NO)[nH]cc1O;BXWAZBKKWXARKY-UHFFFAOYSA-N;144.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205524;MM205524;C=CCc1cc(O)n(O)n1;BHGOSSVZRZKFBF-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205525;MM205525;N=c1nc(O)n(O)cc1F;ZRZQTWYENLEMCY-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205526;MM205526;CC=C1CC=C(CC)O1;RFHQFLZONVPPBD-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205527;MM205527;CC=C1CC=C(CN)O1;SJEGSPWLIJLKSI-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205528;MM205528;CC=C1CC=C(CO)O1;RUKZFZGAUIQAOT-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205529;MM205529;CC=C1CC=C(CF)O1;XNISZAATTYTWCG-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205530;MM205530;CCC1=CCC(=CF)O1;SAHWTPQGTHSPGE-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205531;MM205531;NCC1=CCC(=CF)O1;AJPZJEGMLQIVIC-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205532;MM205532;OCC1=CCC(=CF)O1;FJCSQHQPNUUTSH-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205533;MM205533;FC=C1CC=C(CF)O1;LEJUUXPJIQTHNT-UHFFFAOYSA-N;132.11;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205534;MM205534;Nc1c(CO)oc(=O)n1N;KKTRVHCOPFMUSM-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205535;MM205535;NN=c1cc(F)ccn1O;CSQXHPCBJHCVCV-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205536;MM205536;C=NN(C=N)C(C#N)CO;WZENWEANLKDUPC-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205537;MM205537;CCC1=CCC(=NO)O1;CVDUXFWSACHGGG-UHFFFAOYSA-N;127.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205538;MM205538;NCC1=CCC(=NO)O1;XVYBMCBUEMMLIR-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205539;MM205539;OCC1=CCC(=NO)O1;ALKXFJAFDJJSCY-UHFFFAOYSA-N;129.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205540;MM205540;ON=C1CC=C(CF)O1;DBAIFMUYIAWLDQ-UHFFFAOYSA-N;131.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205541;MM205541;C=NN(CC)CC#CCO;BSNXGEDIWGOBSM-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205542;MM205542;CNN(C=O)CC#CCO;KJQFARZXSCEYCA-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205543;MM205543;NN=C(NO)NN=CCF;AEIDSAFJHYMZRB-UHFFFAOYSA-N;149.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205544;MM205544;COC(CO)=C(F)C=NN;QQGXIIPVZJCDBN-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205545;MM205545;N#CC(CO)NC1CC1O;VMUOTYNLQFLRNU-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205546;MM205546;ON=C1CN=C(NO)O1;JGOLIEAUKYBOHK-UHFFFAOYSA-N;131.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205547;MM205547;CC1CC2(C=O)NC2C1O;JZYRXMIWVKMETC-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205548;MM205548;NN=c1[nH]cc(CO)o1;ZYIFQJPJJYIWPE-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205549;MM205549;NN=c1[nH]cc(CF)o1;PBFRJZPHBPZBTB-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205550;MM205550;CNc1c[nH]c(=NN)o1;LDXJXUFDLJOHMF-UHFFFAOYSA-N;128.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205551;MM205551;COc1oc(=O)n(N)c1O;CKESFPSTOLWXKM-UHFFFAOYSA-N;146.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205552;MM205552;CCCc1nnc(O)[nH]1;PWAHGRCNQLPWEG-UHFFFAOYSA-N;127.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205553;MM205553;N=c1cnnc(O)n1O;JJWZRSOBWUGKRT-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205554;MM205554;NN=c1[nH]c(=O)n(N)o1;ZLJICTZEIDTNCE-UHFFFAOYSA-N;131.1;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205555;MM205555;CN=c1[nH]nc(CF)o1;JQRCRQCWXIJKAD-UHFFFAOYSA-N;131.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205556;MM205556;Cn1[nH]nc(N)c(=O)c1=N;YPCJDWHXEKFUPT-UHFFFAOYSA-N;141.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205557;MM205557;N=c1ncnc(O)n1O;BGWDZZRSFIOPDR-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205558;MM205558;Cn1c(F)cnc(O)c1=O;QCGCTCRQDYZWPJ-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205559;MM205559;Nc1cc(=O)c(=O)nn[nH]1;XTXLFUKSOODLDM-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205560;MM205560;CC(=CF)OC(C#N)=NO;VRJZMEDKGYJLMP-UHFFFAOYSA-N;144.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205561;MM205561;Oc1nc(F)c(O)o1;HNVXYIXSQTYONL-UHFFFAOYSA-N;119.05;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205562;MM205562;O=Cc1nc(O)c(O)o1;CZLVHZAQZIRKMK-UHFFFAOYSA-N;129.07;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205563;MM205563;N#CCC(O)C(C=O)=NO;RMXPAVQHFYWOKN-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205564;MM205564;Oc1cc(CF)on1;OCPLDPIECFAFHX-UHFFFAOYSA-N;117.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205565;MM205565;NN=c1occ(CO)o1;OHJARTXDEBFQTH-UHFFFAOYSA-N;130.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205566;MM205566;CC12NC1CC1(CO)OC12;KKTOASMTRABERI-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205567;MM205567;NN=C1NOC2(CO)CC12;FRQYJNGUFQLGCD-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205568;MM205568;N=CN(O)C=NN;BEVVBGSFPXZZHB-UHFFFAOYSA-N;102.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205569;MM205569;NN=c1onc(CO)o1;AXCQVKGFQFHNFJ-UHFFFAOYSA-N;131.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205570;MM205570;NN=c1onc(CF)o1;BSZOOYBBCLLFFP-UHFFFAOYSA-N;133.08;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205571;MM205571;C=C1CN=CN1O;CFCDVEGQCVQQND-UHFFFAOYSA-N;98.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205572;MM205572;COc1noc(=NN)o1;CRHVXWRTRATGCE-UHFFFAOYSA-N;131.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205573;MM205573;C=CC1=CCC(=CC)C1;GZXSZUGWDZDJDI-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205574;MM205574;CC=C1CC=C(C=O)C1;HVCOXFURVYNUJC-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205575;MM205575;CC=C1CC=C(C#N)C1;CCDDDSNMOFRDAP-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205576;MM205576;C=CC1=CCC(=CF)C1;MCYVRCAPZRUGAC-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205577;MM205577;O=CC1=CCC(=CF)C1;UTKIERJNFTTWSO-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205578;MM205578;N#CC1=CCC(=CF)C1;MNVFTFYDKZDEIN-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205579;MM205579;C=CC1=CCC(=NN)C1;SHCFTDCCANVOKF-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205580;MM205580;C=CC1=CCC(=NO)C1;PCCAMYANUPAONP-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205581;MM205581;O=CC1=CCC(=NO)C1;GTMDZASGRSCOLS-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205582;MM205582;N#CC1=CCC(=NO)C1;OCTLRHIAIMREHM-UHFFFAOYSA-N;122.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205583;MM205583;C=CC1=CNC(=NC)C1;ZMVDEKRNNROLDR-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205584;MM205584;CN=C1CC(C=O)=CN1;BUIUVNLMBSGDCJ-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205585;MM205585;CN=C1CC(C#N)=CN1;HTTCKQCNHYEYHX-UHFFFAOYSA-N;121.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205586;MM205586;CN(C)C=NC(N)=O;WNPZESUACNIFNG-UHFFFAOYSA-N;115.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205587;MM205587;O=CC1=CNC(=NO)C1;FWZQSGZEBLDHBA-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205588;MM205588;N#CC1=CNC(=NO)C1;FBXSNBVXQHBITP-UHFFFAOYSA-N;123.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205589;MM205589;C=C(C)N(O)C=NN;MQSJTMOCNVKECN-UHFFFAOYSA-N;115.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205590;MM205590;OCC#CCN1CC1;NHMCPUHMJDNFFT-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205591;MM205591;CN=C1CC(C#N)=NN1;JXTITVOELCOGPV-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205592;MM205592;CN(C)N=CN(O)C=N;XGLNZVINPDYBMI-UHFFFAOYSA-N;130.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205593;MM205593;O=CC1=NNC(=NO)C1;LTUHSNUJPLKCPL-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205594;MM205594;N#CC1=NNC(=NO)C1;XUCNYZDUXGPDIP-UHFFFAOYSA-N;124.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205595;MM205595;C=CC1=COC(=CC)C1;LUMYBAMEUSAKFE-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205596;MM205596;CC=C1CC(C=O)=CO1;ARHQIGHNTZSIBX-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205597;MM205597;CC=C1CC(C#N)=CO1;SSZBITFLHDJIFJ-UHFFFAOYSA-N;121.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205598;MM205598;C=CC1=COC(=CF)C1;KKYAJWHYJUNSOL-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205599;MM205599;O=CC1=COC(=CF)C1;QFLLFWPDFZMZGW-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205600;MM205600;N#CC1=COC(=CF)C1;BWHDHUDWTXPXGI-UHFFFAOYSA-N;125.1;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205601;MM205601;CN=C(N)C(F)C(N)=O;SWJKSJTWCLZDFM-UHFFFAOYSA-N;133.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205602;MM205602;C=CC1=COC(=NO)C1;XFMNLWTVIJQNSE-UHFFFAOYSA-N;125.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205603;MM205603;C=NNCCC(F)C=O;NAXQGWVRPRBBOM-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205604;MM205604;C=CC1=NOC(=NO)C1;QPJOSELUWQQXNF-UHFFFAOYSA-N;126.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205605;MM205605;O=CC1=NOC(=NO)C1;VGRCCJZUIGVCDQ-UHFFFAOYSA-N;128.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205606;MM205606;N#CC1=NOC(=NO)C1;CTKNUOKIBLLEAG-UHFFFAOYSA-N;125.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205607;MM205607;C=CC1=CCC(=NC)N1;WMKLMDJWYWOJIP-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205608;MM205608;CNC1=NC(C#N)=CC1;ITAJHDFWPQHTFS-UHFFFAOYSA-N;121.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205609;MM205609;C=C(CC)N(O)C=NN;SYRPSGUGBWYCFL-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205610;MM205610;O=CC1=CCC(=NO)N1;WCZCPXPUVNJKAD-UHFFFAOYSA-N;126.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205611;MM205611;N#CC1=CCC(=NO)N1;OJEUHCBQLFDUSZ-UHFFFAOYSA-N;123.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205612;MM205612;C=CC1=NCC(=CC)N1;HJAKHRIMUIBHCE-UHFFFAOYSA-N;122.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205613;MM205613;CC=C1CN=C(C=O)N1;FCZRYZDVKBQHQL-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205614;MM205614;CC=C1CN=C(C#N)N1;UJQDTTAUMKTFOL-UHFFFAOYSA-N;121.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205615;MM205615;Cn1nc(NO)cc1N;NDYMTHQEFMNAQR-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205616;MM205616;Nn1oc(CO)cc1=O;XPXOWQMKLCGTKK-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205617;MM205617;N=CN=C1CN(N)C=N1;XHSHCELEKKYFGJ-UHFFFAOYSA-N;125.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205618;MM205618;C=NN=C1C=C(C)CN1;YLEYDVGSEGRKBN-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205619;MM205619;CC1CN1CC#CCO;YVFAGCPNKNHRMD-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205620;MM205620;O=CC1=NCC(=NO)N1;SDHGGRIPKHQNHP-UHFFFAOYSA-N;127.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205621;MM205621;N#CC1=NCC(=NO)N1;NPDUQXPVDIFSSY-UHFFFAOYSA-N;124.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205622;MM205622;O=Cc1c[nH]c(=NO)[nH]1;SUAKIIILRDDGAE-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205623;MM205623;N#Cc1c[nH]c(=NO)[nH]1;MFLNJIVANQTOEJ-UHFFFAOYSA-N;124.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205624;MM205624;OCc1[nH]nc(F)c1O;WHOVATOXINGMEC-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205625;MM205625;C=Nn1oc(=N)[nH]c1=O;QMTYGQBVFFFUHZ-UHFFFAOYSA-N;128.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205626;MM205626;C#CC(O)(C=O)C=NO;UCADOXRRECAQQX-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205627;MM205627;C=Cc1[nH]nc(O)c1F;WSOWUBGWUYMLTM-UHFFFAOYSA-N;128.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205628;MM205628;C=Cc1coc(=NN)[nH]1;UTMWSBAPPVJACE-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205629;MM205629;N=c1nnoc(CO)c1O;BZONSKOISFRVQN-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205630;MM205630;NN=c1nnc(=O)nc[nH]1;GOSNDSOGGKFVLS-UHFFFAOYSA-N;140.11;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-9.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205631;MM205631;C#CCc1cc(=O)n(O)[nH]1;QCOFOVRWICYZBE-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205632;MM205632;O=c1oc(O)c(CCF)o1;DEJYXUFFSWNZSK-UHFFFAOYSA-N;148.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205633;MM205633;CCNc1oc(=O)oc1O;ALSXHTLSJIXAMH-UHFFFAOYSA-N;145.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205634;MM205634;CON=c1oc(O)c(O)o1;FSVQOLBRKJKFNQ-UHFFFAOYSA-N;147.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205635;MM205635;C#CC(F)CC(C#N)=NO;WYPMGRLCEKSQOP-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205636;MM205636;C=CC1=CCC(=CC)O1;RVFSCCSDBULWHN-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205637;MM205637;CC=C1CC=C(C=O)O1;AAXPLDXNLBPQLQ-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205638;MM205638;CC=C1CC=C(C#N)O1;OETXWYSFFDSWNZ-UHFFFAOYSA-N;121.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205639;MM205639;C=CC1=CCC(=CF)O1;WTZHAQHDQQWZOD-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205640;MM205640;O=CC1=CCC(=CF)O1;MIEITPROMNCQOS-UHFFFAOYSA-N;128.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205641;MM205641;N#CC1=CCC(=CF)O1;AHFBSRBCNHUPAP-UHFFFAOYSA-N;125.1;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205642;MM205642;NN=C1C=CC2(O)CC12;XYEUPMBZRASEMW-UHFFFAOYSA-N;124.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205643;MM205643;C=CC1=CCC(=NO)O1;MSZDZDWPVZHOMH-UHFFFAOYSA-N;125.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205644;MM205644;O=CC1=CCC(=NO)O1;OVVVTQMSRWROJF-UHFFFAOYSA-N;127.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205645;MM205645;N#CC1=CCC(=NO)O1;XPUZIGAFVAKQGB-UHFFFAOYSA-N;124.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205646;MM205646;On1oc(F)c2ncnc1-2;XAGVNRAVZJVAAU-UHFFFAOYSA-N;143.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205647;MM205647;C=Cc1c[nH]c(=NN)o1;DTHHCNRPLCJQOL-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205648;MM205648;CCn1nnc(C)c1O;HLIJAPFHNCHUCP-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205649;MM205649;CN1C(=O)N=CC1=CO;XLYKJDVUEJLLRX-UHFFFAOYSA-N;126.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205650;MM205650;Oc1cn[nH]c1F;ITGHNJOVBQTVQW-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205651;MM205651;Cc1nnn(N)c1O;FNMXIODCWNBZSD-UHFFFAOYSA-N;114.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205652;MM205652;C=COc1nc(=N)cn[nH]1;ICBMFCIMJFHZJP-UHFFFAOYSA-N;138.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205653;MM205653;Cn1c(O)c(CF)oc1=O;ARLZKWUQMJHMRC-UHFFFAOYSA-N;147.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205654;MM205654;Cn1oc(=O)c(F)c1O;XOGXYWNTBRGKGY-UHFFFAOYSA-N;133.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205655;MM205655;C#Cc1oc(=O)oc1O;OKUWERHIDXMLJS-UHFFFAOYSA-N;126.07;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205656;MM205656;N#CCONC(=O)CC#N;AGSCWNAOXQOJSU-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205657;MM205657;C#CC1=CCC(=CC)C1;ITGDTBLCCVSRNR-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205658;MM205658;C#CC1=CCC(=CF)C1;HYVAVJFHJIVKRP-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205659;MM205659;C#CC1=CCC(=NN)C1;FCBGPKHCILHSJW-UHFFFAOYSA-N;120.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205660;MM205660;C#CC1=CCC(=NO)C1;JNRBRJWARVAQAT-UHFFFAOYSA-N;121.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205661;MM205661;C#CC1=CNC(=NC)C1;NJGQDLZQNOSWFE-UHFFFAOYSA-N;120.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205662;MM205662;C#CC1=CN=C(NN)C1;RDCJRCQAYNFCRM-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205663;MM205663;NNc1cc(CO)[nH]n1;ILLTVZDYUKXMFQ-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205664;MM205664;N=CN(O)C=NN1CC1;NXSHFKRXPYQYFZ-UHFFFAOYSA-N;128.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205665;MM205665;C#CC1=NNC(=NN)C1;XMGMJJOXEVTCHT-UHFFFAOYSA-N;122.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205666;MM205666;C#CC1=NNC(=NO)C1;GVLRTTAEPSLLPF-UHFFFAOYSA-N;123.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205667;MM205667;C#CC1=COC(=CC)C1;LHBGRJRMUSWRQU-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205668;MM205668;C#CC1=COC(=CF)C1;DSEUVOWTLAQXKT-UHFFFAOYSA-N;124.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205669;MM205669;CC(=O)C(=N)N=C(N)CO;WJSSWVKWDJTZLR-UHFFFAOYSA-N;143.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205670;MM205670;C#CC1=COC(=NO)C1;JIJBJVRGNGXMKJ-UHFFFAOYSA-N;123.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205671;MM205671;C#CC1=NOC(=NN)C1;OOYTTWAHJSSEON-UHFFFAOYSA-N;123.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205672;MM205672;C#CC1=NOC(=NO)C1;QBPIQNPRPITWFN-UHFFFAOYSA-N;124.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205673;MM205673;C#CC1=CCC(=NC)N1;JLYZVUSERMPJHF-UHFFFAOYSA-N;120.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205674;MM205674;C#CC1=CCC(NN)=N1;QPPQXFBFKYCODK-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205675;MM205675;C#CC1=CCC(=NO)N1;AOHRABMZPGBPEQ-UHFFFAOYSA-N;122.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205676;MM205676;C#CC1=NCC(=CF)N1;HRCCUBJKMFMQOD-UHFFFAOYSA-N;124.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205677;MM205677;CC1=CC(=NN)CC1(C)O;GDUCQKJOIFKMGN-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205678;MM205678;CN=CN(O)C=NC(C)=O;DEZVAHMJSRZOSM-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205679;MM205679;C#CC1=NCC(=NO)N1;ZHKYTXVREHGCIK-UHFFFAOYSA-N;123.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205680;MM205680;C#Cc1c[nH]c(=NC)[nH]1;WVYLIGCDUSBPER-UHFFFAOYSA-N;121.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205681;MM205681;C#Cc1c[nH]c(=NN)[nH]1;KRUUZNBOIFYFQH-UHFFFAOYSA-N;122.13;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205682;MM205682;CON=C(C)C#CC(N)=O;MKBOTTQHJFVZES-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205683;MM205683;O=CN=c1[nH]oc(=NO)o1;WAAPKWHDKDFMBL-UHFFFAOYSA-N;145.07;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205684;MM205684;O=Cc1nc(O)n(O)n1;PNDBLOOFTABGCC-UHFFFAOYSA-N;129.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205685;MM205685;Oc1oc(F)c(O)c1F;OKBPGOOEWHGUJP-UHFFFAOYSA-N;136.05;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205686;MM205686;C#CC1=CCC(=CC)O1;SWZCNSFJRHMZGW-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205687;MM205687;C#CC1=CCC(=CF)O1;XGIMQBGNRMVQEN-UHFFFAOYSA-N;124.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205688;MM205688;CN(C)CC(=O)C(=O)C=O;LLNYRQWVJFFHAC-UHFFFAOYSA-N;143.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205689;MM205689;C#CC1=CCC(=NO)O1;QMQYKSYADLDIEW-UHFFFAOYSA-N;123.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205690;MM205690;Oc1nnc(O)[nH]1;UDATXMIGEVPXTR-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205691;MM205691;C#CCc1cc(O)n(O)n1;KLWIKRDLBAKCJO-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205692;MM205692;N=Cn1ncc(F)c1O;GPHDEDIPEYFQNY-UHFFFAOYSA-N;129.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205693;MM205693;CCC1=CC=C(CC)C1;XBOSTOIGIQEJFW-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205694;MM205694;CCC1=CC=C(CN)C1;FZKFAXZLFNSPPL-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205695;MM205695;CCC1=CC=C(CO)C1;SMGBRJRKOGBVFC-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205696;MM205696;CCC1=CC=C(CF)C1;IHZYRBWJGQMZMD-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205697;MM205697;NCC1=CC=C(CN)C1;XGMPHPXQSXZKCT-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205698;MM205698;NCC1=CC=C(CO)C1;ABHKIFQKIAZBLY-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205699;MM205699;NCC1=CC=C(CF)C1;IEHFGEPHBCIOKK-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205700;MM205700;OCC1=CC=C(CO)C1;CTYDCLDVZPMCJI-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205701;MM205701;OCC1=CC=C(CF)C1;VEMLCDJXMHWDSM-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205702;MM205702;FCC1=CC=C(CF)C1;SZBVDRXVGQJYOV-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205703;MM205703;CCC1=CC=C(OC)C1;UOXNLNBPXARREU-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205704;MM205704;COC1=CC=C(CN)C1;QEYLVGKLOMOJBH-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205705;MM205705;COC1=CC=C(CO)C1;LYOGAMYGPOIOFD-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205706;MM205706;COC1=CC=C(CF)C1;KCVCHTLGGWWLJJ-UHFFFAOYSA-N;128.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205707;MM205707;COC1=CC=C(OC)C1;XJIFSLRSYSHPQY-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205708;MM205708;CCC1=NN=C(CC)C1;UVICYMBQTSYITH-UHFFFAOYSA-N;124.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205709;MM205709;CCC1=NN=C(CO)C1;RXTNDGYSFRAGLJ-UHFFFAOYSA-N;126.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205710;MM205710;CCC1=NN=C(CF)C1;KPLOSBCURRZXQV-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205711;MM205711;NCC1=NN=C(CN)C1;GOGSXWIRCYYOBI-UHFFFAOYSA-N;126.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205712;MM205712;OCC1=NN=C(CO)C1;ORKZAPQDESKOIS-UHFFFAOYSA-N;128.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205713;MM205713;OCC1=NN=C(CF)C1;MGOCJGURSPAJSE-UHFFFAOYSA-N;130.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205714;MM205714;FCC1=NN=C(CF)C1;DXLNHURHGVBAOJ-UHFFFAOYSA-N;132.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205715;MM205715;CCC1=NN=C(OC)C1;ACQHTFNHEZLUQJ-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205716;MM205716;COC1=NN=C(CN)C1;ANWKELFOJSUDJQ-UHFFFAOYSA-N;127.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205717;MM205717;COC1=NN=C(CO)C1;ABDUITUXSPVPCR-UHFFFAOYSA-N;128.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205718;MM205718;COC1=NN=C(CF)C1;ATJZTDUOKZOXTI-UHFFFAOYSA-N;130.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205719;MM205719;CCc1ccc(CC)[nH]1;CIKZQBMEPDKJHF-UHFFFAOYSA-N;123.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205720;MM205720;CCc1ccc(CN)[nH]1;GUFHZYGWUDAKJR-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205721;MM205721;CCc1ccc(CO)[nH]1;RVLLSRLEKOSSRO-UHFFFAOYSA-N;125.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205722;MM205722;CCc1ccc(CF)[nH]1;BMMGTNCFZJUTPX-UHFFFAOYSA-N;127.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205723;MM205723;NCc1ccc(CN)[nH]1;JQOUIJCIRIOZRN-UHFFFAOYSA-N;125.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205724;MM205724;NCc1ccc(CO)[nH]1;PWTDEISVAWDONR-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205725;MM205725;NCc1ccc(CF)[nH]1;HNXOJCLWFOPIJH-UHFFFAOYSA-N;128.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205726;MM205726;OCc1ccc(CO)[nH]1;INNRTGSPTOTXLK-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205727;MM205727;OCc1ccc(CF)[nH]1;KSWKPUYTCPNCJT-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205728;MM205728;FCc1ccc(CF)[nH]1;MMPHBLVUGYULGC-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205729;MM205729;C=C(C=CF)N(O)C=NN;PZBASHORTLVHMD-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205730;MM205730;CNc1ccc(CN)[nH]1;IBCBVALJWPWYCB-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205731;MM205731;CC(O)C(C)ON=CCO;YNLDOEVSLGQNRZ-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205732;MM205732;CCN=C1CN(N)C(C)=N1;PMFNPSYWSQRSCV-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205733;MM205733;CCc1ccc(OC)[nH]1;FFGCZYRCGCTIGH-UHFFFAOYSA-N;125.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205734;MM205734;COc1ccc(CN)[nH]1;SGJWSHZXUWRAOA-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205735;MM205735;COc1ccc(CO)[nH]1;DSNCGZHQYXLBHU-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205736;MM205736;COc1ccc(CF)[nH]1;UNIRFMDMLSHNIL-UHFFFAOYSA-N;129.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205737;MM205737;CC1CC2(C)C(C1O)N2C;DPWSGUDKDMTPNC-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205738;MM205738;COc1ccc(OC)[nH]1;PUHVSHWQJNOLGX-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205739;MM205739;CCN(C)N=CN(O)C=N;ILCZFZZPVMAAJI-UHFFFAOYSA-N;144.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205740;MM205740;CC1(CO)CN=C(NN)O1;IVCSTTQUWRRZCK-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205741;MM205741;NCc1cnc(CN)[nH]1;ZHCJNKHIDUZZTB-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205742;MM205742;NCc1cnc(CO)[nH]1;SBTRJSJESNUHAV-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205743;MM205743;CC(CO)OC(=NN)NO;BSTJWPIRBWDYQV-UHFFFAOYSA-N;149.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205744;MM205744;CN=C(C=O)N=C(N)CO;ZBEBRDUEPPAWIN-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205745;MM205745;CN1CC(C#N)(CO)C=N1;ZPCWOOUDZJRIQB-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205746;MM205746;C=CC1(CO)CN(O)C=N1;NQYBQFFGIUKGTM-UHFFFAOYSA-N;142.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205747;MM205747;CN(C=O)NCC#CCO;FFBQZKLMBRMCSD-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205748;MM205748;CCc1cnc(NC)[nH]1;BRAXYWALXIRYTB-UHFFFAOYSA-N;125.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205749;MM205749;CNc1ncc(CN)[nH]1;GOQDDAXPQLOUCX-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205750;MM205750;N#CC(=N)NCC#CCO;DIGRATLNAVVFRP-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205751;MM205751;COc1ncc(CN)[nH]1;PYJHDODRBQKRQS-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205752;MM205752;COc1ncc(CO)[nH]1;HFYVMIPFINKYDX-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205753;MM205753;COc1ncc(CF)[nH]1;DTVALPSTCMWCJQ-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205754;MM205754;CCCNN=CN(O)C=N;FMCXTYKTWHQQKN-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205755;MM205755;C#CCNN=CN(O)C=N;RHXCSRFTNAWHKN-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205756;MM205756;C=NNCC1OC1(C)CO;HYQXZMMMPLCGDS-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205757;MM205757;CNc1cnc(NC)[nH]1;JRJLLLVLTLDRIU-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205758;MM205758;CC1(CO)OC1CC=NN;WKWBWPBVJUPNJR-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205759;MM205759;CCNC(C#N)C(=O)NC;GRQKPHJOSHVYHN-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205760;MM205760;COc1c[nH]c(CO)n1;YJQQJPNUSQHJJT-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205761;MM205761;COc1c[nH]c(CF)n1;ZEBKFGAAHYNGNV-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205762;MM205762;CCc1n[nH]c(CC)n1;UGERGYDWQOPISO-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205763;MM205763;CCc1nnc(CO)[nH]1;MHPSRAZVFRZKCR-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205764;MM205764;CCc1n[nH]c(CF)n1;YILWAFWLYDJLGN-UHFFFAOYSA-N;129.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205765;MM205765;OCc1n[nH]c(CO)n1;IJAWKJPOFXUWBR-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205766;MM205766;OCc1n[nH]c(CF)n1;YDLPCVMLWQSZRA-UHFFFAOYSA-N;131.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205767;MM205767;FCc1n[nH]c(CF)n1;SSJUXDNRUIQZJB-UHFFFAOYSA-N;133.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205768;MM205768;CC#CC(CO)N(O)C=N;FJGWYFZPIQJAAA-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205769;MM205769;CNc1n[nH]c(CO)n1;CUIGFTZSLRXVFQ-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205770;MM205770;CNc1n[nH]c(CF)n1;LPMYMWTZJGYARH-UHFFFAOYSA-N;130.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205771;MM205771;CCc1nc(OC)n[nH]1;JMXRVIRGUGWKGV-UHFFFAOYSA-N;127.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205772;MM205772;COc1n[nH]c(CO)n1;CVCYAUPWDMGOIT-UHFFFAOYSA-N;129.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205773;MM205773;COc1n[nH]c(CF)n1;TZHUILVTTXVWEJ-UHFFFAOYSA-N;131.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205774;MM205774;CCC12CC3(O)CC1N2C3;NAECJVAELGBEJS-UHFFFAOYSA-N;139.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205775;MM205775;O=Cn1oc(O)nc1=O;PGILPRKPZUCCBY-UHFFFAOYSA-N;130.06;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205776;MM205776;CCc1ccc(CC)o1;OKYQOKFZRFUBJX-UHFFFAOYSA-N;124.18;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205777;MM205777;CCc1ccc(CO)o1;GLBCHBCTOVCFGA-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205778;MM205778;CCc1ccc(CF)o1;GNQSTUOXVDNBQC-UHFFFAOYSA-N;128.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205779;MM205779;OCc1ccc(CO)o1;DSLRVRBSNLHVBH-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205780;MM205780;OCc1ccc(CF)o1;IJDAGVQOTGNYOY-UHFFFAOYSA-N;130.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205781;MM205781;FCc1ccc(CF)o1;MNLOVAAHGDTZNZ-UHFFFAOYSA-N;132.11;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205782;MM205782;CCc1ccc(NC)o1;PLCSJVSWAJTWKL-UHFFFAOYSA-N;125.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205783;MM205783;CNc1ccc(CO)o1;CCYDADRYTHDHKK-UHFFFAOYSA-N;127.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205784;MM205784;CNc1ccc(CF)o1;AOBXQKOISNZNSZ-UHFFFAOYSA-N;129.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205785;MM205785;CCc1ccc(OC)o1;HFHMZOKLMRRORI-UHFFFAOYSA-N;126.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205786;MM205786;COc1ccc(CO)o1;XXHNGVNTIYCXKW-UHFFFAOYSA-N;128.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205787;MM205787;COc1ccc(CF)o1;MMJKVUNVNUNUSG-UHFFFAOYSA-N;130.12;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205788;MM205788;CNc1ccc(NC)o1;HFIRJGXTWIQWEX-UHFFFAOYSA-N;126.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205789;MM205789;CNc1ccc(OC)o1;SBQYLDYMXOMGDX-UHFFFAOYSA-N;127.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205790;MM205790;COc1ccc(OC)o1;KXZIBRUIJDEWKY-UHFFFAOYSA-N;128.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205791;MM205791;CCc1cnc(CC)o1;IQWHXRKZJXFLTB-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205792;MM205792;CCc1cnc(CO)o1;ITHYTRRURGUBCW-UHFFFAOYSA-N;127.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205793;MM205793;CCc1cnc(CF)o1;QYTPDUOWHHGEIB-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205794;MM205794;CCc1ncc(CO)o1;ZMZVKMFSXDACSG-UHFFFAOYSA-N;127.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205795;MM205795;OCc1cnc(CO)o1;ISBAIIMGUNCEGT-UHFFFAOYSA-N;129.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205796;MM205796;OCc1cnc(CF)o1;XLPRPYNBKUUGFF-UHFFFAOYSA-N;131.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205797;MM205797;CCc1ncc(CF)o1;YDLMFORZKVKUBG-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205798;MM205798;OCc1ncc(CF)o1;CFCQJANPQGKNOL-UHFFFAOYSA-N;131.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205799;MM205799;FCc1cnc(CF)o1;UWOXVWAPUJYKQB-UHFFFAOYSA-N;133.1;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205800;MM205800;N=CN(C=O)CC#CCO;JKIMREHCNAOUDQ-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205801;MM205801;CNc1ncc(CO)o1;AGPSRGNTDTVXSJ-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205802;MM205802;C=CCN(O)C(=NC)OC;YCDMJKZXLUHMDR-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205803;MM205803;CCc1cnc(OC)o1;HBKBSSPFLODASZ-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205804;MM205804;COc1ncc(CO)o1;LIFKTNCXBPSYTQ-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205805;MM205805;COc1ncc(CF)o1;IKNDADXWGRDXGK-UHFFFAOYSA-N;131.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205806;MM205806;C=NNCCC1(CO)CO1;SISCYJUIHXEMHU-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205807;MM205807;CNc1cnc(CO)o1;QTFNLKRPZKNKFW-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205808;MM205808;N=CNc1c[nH]c(CF)n1;ZZFMEWHXLGKESH-UHFFFAOYSA-N;142.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205809;MM205809;CCNc1ccc(C=O)[nH]1;CAJKHYNQBPRICB-UHFFFAOYSA-N;138.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205810;MM205810;C=CCC1=CC(=NN)OC1;SNFBRNHECZPXFK-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205811;MM205811;CCc1ncc(OC)o1;WYIXUGFRSKZTBQ-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205812;MM205812;COc1cnc(CO)o1;INYFRCFZHNLVNF-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205813;MM205813;COc1cnc(CF)o1;NKXXLXQHZUKTCK-UHFFFAOYSA-N;131.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205814;MM205814;NN=C1NC2CC2(CO)O1;AUFDJGJDPJNQOI-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205815;MM205815;COc1cnc(OC)o1;QDPNDIPUZCCEKJ-UHFFFAOYSA-N;129.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205816;MM205816;CCc1nnc(CC)o1;GDHAVOCWGPYRCQ-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205817;MM205817;CCc1nnc(CO)o1;IBEDFUMZEPUSBF-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205818;MM205818;CCc1nnc(CF)o1;JGUKOKJFUKMNLU-UHFFFAOYSA-N;130.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205819;MM205819;OCc1nnc(CO)o1;SIGCYDNDJPWWPT-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205820;MM205820;OCc1nnc(CF)o1;OJQSDDBCFIWOIK-UHFFFAOYSA-N;132.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205821;MM205821;FCc1nnc(CF)o1;INZXKNBSJIFTFS-UHFFFAOYSA-N;134.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205822;MM205822;CCc1nnc(NC)o1;FFTWNQNCPJONDC-UHFFFAOYSA-N;127.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205823;MM205823;CNc1nnc(CO)o1;XFHMHNPLAMJSEC-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205824;MM205824;CNc1nnc(CF)o1;JQRCRQCWXIJKAD-UHFFFAOYSA-N;131.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205825;MM205825;CCc1nnc(OC)o1;PYBAFKRQIPCBKX-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205826;MM205826;COc1nnc(CO)o1;JRYMSTGIBJBHND-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205827;MM205827;COc1nnc(CF)o1;VSUOEJAKUKNIRG-UHFFFAOYSA-N;132.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205828;MM205828;CNc1nnc(NC)o1;KOWTYQYOWJJZRX-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205829;MM205829;CNc1nnc(OC)o1;MFIHSHFHYCQCAC-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205830;MM205830;COc1nnc(OC)o1;LVUGCUBFEHKALF-UHFFFAOYSA-N;130.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205831;MM205831;C=CC1=CC=C(CC)C1;UOBWDEQEIJZFOW-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205832;MM205832;CCC1=CC=C(C=O)C1;LEDLKNCOHQDUPI-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205833;MM205833;CCC1=CC=C(C#N)C1;IRBCPIRQSJABML-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205834;MM205834;C=CC1=CC=C(CN)C1;HMMKMNKWQZSJQD-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205835;MM205835;C=CC1=CC=C(CO)C1;FDJXPNBNOQUZBB-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205836;MM205836;O=CC1=CC=C(CO)C1;FKXOTXVEFLOOET-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205837;MM205837;N#CC1=CC=C(CO)C1;MYHISTMNHQGIFZ-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205838;MM205838;C=CC1=CC=C(CF)C1;UNCZECYSEWZUDD-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205839;MM205839;O=CC1=CC=C(CF)C1;QMVQWBLYTDHNMV-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205840;MM205840;N#CC1=CC=C(CF)C1;CLZGGKDYOZTUHZ-UHFFFAOYSA-N;123.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205841;MM205841;C=CC1=CC=C(OC)C1;ULNMUUQKBZRJEB-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205842;MM205842;COC1=CC=C(C=O)C1;LHMRZFQISLYDHS-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205843;MM205843;COC1=CC=C(C#N)C1;BHMRWTJDJQIZOR-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205844;MM205844;C=CC1=NN=C(CC)C1;FUAKHHNFHVGKNJ-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205845;MM205845;CCC1=NN=C(C=O)C1;NPHIIRQLFNLVOK-UHFFFAOYSA-N;124.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205846;MM205846;CCC1=NN=C(C#N)C1;VANCWMGIJIKHEG-UHFFFAOYSA-N;121.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205847;MM205847;C=CC1=NN=C(CO)C1;DXIUHBCDMWSSSP-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205848;MM205848;O=CC1=NN=C(CO)C1;XJVIQJDPFQNMCW-UHFFFAOYSA-N;126.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205849;MM205849;N#CC1=NN=C(CO)C1;ZSPTUPLNZFRSBH-UHFFFAOYSA-N;123.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205850;MM205850;C=CC1=NN=C(CF)C1;GNJRHALDTOKKOJ-UHFFFAOYSA-N;126.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205851;MM205851;O=CC1=NN=C(CF)C1;CQILXVLOXBEXBE-UHFFFAOYSA-N;128.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205852;MM205852;N#CC1=NN=C(CF)C1;JNIFZWATKKHXMI-UHFFFAOYSA-N;125.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205853;MM205853;C=CC1=NN=C(OC)C1;YMJAMCQSUJWRJQ-UHFFFAOYSA-N;124.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205854;MM205854;C=Cc1ccc(CC)[nH]1;AZAUTONWGMXQJF-UHFFFAOYSA-N;121.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205855;MM205855;CCc1ccc(C#N)[nH]1;JJHPJKNNGFQBAL-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205856;MM205856;C=Cc1ccc(CN)[nH]1;IWHWXVYALQECOZ-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205857;MM205857;C=Cc1ccc(CO)[nH]1;ZRRGEQNHVKMXAJ-UHFFFAOYSA-N;123.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205858;MM205858;N#Cc1ccc(CO)[nH]1;MKQPYWBSNNIQRS-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205859;MM205859;C=Cc1ccc(CF)[nH]1;LCFGQUUXNGIJQQ-UHFFFAOYSA-N;125.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205860;MM205860;N#Cc1ccc(CF)[nH]1;GAPOGWAUQJRLBC-UHFFFAOYSA-N;124.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205861;MM205861;CN1CC1CC1(CO)CO1;RCVGWFSXYFXQDD-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205862;MM205862;CCC1=NOC(CC)ON1;UEFWUKMTPIONAK-UHFFFAOYSA-N;144.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205863;MM205863;C=NN1CC(O)C1C;AKIFBNSEMVHEKW-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205864;MM205864;C=Cc1ccc(OC)[nH]1;NADFKKQKTSIKTK-UHFFFAOYSA-N;123.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205865;MM205865;COC1=NC(=CO)C=C1;UHLAYGQLOVVUDF-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205866;MM205866;COc1ccc(C#N)[nH]1;QPYFRBNVEAKFCL-UHFFFAOYSA-N;122.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205867;MM205867;C#Cc1n[nH]nc1N;KOCGITRRBCNPPN-UHFFFAOYSA-N;108.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205868;MM205868;CC(=N)N=CN(O)C=N;WEKHMMQXDORGIE-UHFFFAOYSA-N;128.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205869;MM205869;CCc1c[nH]c(C#N)n1;VAHGLLDEVJOADM-UHFFFAOYSA-N;121.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205870;MM205870;CC(=O)N=CN(O)C=N;KGUMOYVPVZONLX-UHFFFAOYSA-N;129.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205871;MM205871;O=Cc1ncc(CO)[nH]1;VXPQDWVKWYYMAV-UHFFFAOYSA-N;126.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205872;MM205872;N#Cc1ncc(CO)[nH]1;QZUPXYPWDGYNRM-UHFFFAOYSA-N;123.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205873;MM205873;CN=CN(O)C=NC=N;PYGTVHHSWCGUHI-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205874;MM205874;O=Cc1nc(CF)c[nH]1;PSMJGWMVCKWGTO-UHFFFAOYSA-N;128.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205875;MM205875;N#Cc1nc(CF)c[nH]1;FRPQZHPYZYTQBF-UHFFFAOYSA-N;125.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205876;MM205876;CN=CN=CN(O)C=N;CNPSRSZJJDGFTE-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205877;MM205877;C=CC(=C)N(O)C=NN;UWINHRCYDKIFMB-UHFFFAOYSA-N;127.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205878;MM205878;CNc1c[nH]c(C#N)n1;QETYXERUESVEPS-UHFFFAOYSA-N;122.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205879;MM205879;CC1C(=O)N(N)CC1O;HCUSZVBKXDNQAN-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205880;MM205880;COc1c[nH]c(C=O)n1;GCYNTSJOTZGURN-UHFFFAOYSA-N;126.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205881;MM205881;COc1c[nH]c(C#N)n1;NUDGSJCPMZMRDS-UHFFFAOYSA-N;123.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205882;MM205882;O=c1cc(O)n(O)c(O)n1;LOYNBJKAEBBPQF-UHFFFAOYSA-N;144.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205883;MM205883;CCc1nc(C#N)c[nH]1;SQPCINATQLRGCO-UHFFFAOYSA-N;121.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205884;MM205884;N=c1c(CO)non1N;YZQWLLLBHDNGQQ-UHFFFAOYSA-N;130.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205885;MM205885;O=Cn1cc(O)cn1;UIABNTACLJPNPE-UHFFFAOYSA-N;112.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205886;MM205886;N#Cc1cnc(CO)[nH]1;QESQNOWGAWLUFW-UHFFFAOYSA-N;123.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205887;MM205887;C=NN(C)C(C#N)CO;MPXFTLBBEIIRHQ-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205888;MM205888;O=c1cnc2n[nH][nH]c-2c1;MKCJEQVBJPWQBM-UHFFFAOYSA-N;136.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205889;MM205889;N#Cc1c[nH]c(CF)n1;LPMLWCGZNCORQO-UHFFFAOYSA-N;125.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205890;MM205890;N=C(NO)N(C=O)C=O;MMEXXMHOVBFGCX-UHFFFAOYSA-N;131.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205891;MM205891;C=Cc1cnc(OC)[nH]1;WNXLXVHFAONDNE-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205892;MM205892;C=Cc1nc(CC)n[nH]1;ZTDKOFLGTWXBQQ-UHFFFAOYSA-N;123.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205893;MM205893;CN(C=O)CC(C#N)=NO;NZFYHUAKDKNIOF-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205894;MM205894;CCc1nc(C#N)n[nH]1;CTPJTQVJAWUNNJ-UHFFFAOYSA-N;122.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205895;MM205895;C=Cc1nc(CO)n[nH]1;SXBJXSPXWHWVNG-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205896;MM205896;c1nnn[nH]1;KJUGUADJHNHALS-UHFFFAOYSA-N;70.06;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205897;MM205897;C=Cc1nc(CF)n[nH]1;NNRGHQGEHNDRPY-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205898;MM205898;C=Cn1cc(O)c(O)n1;SCLQELNCWSTWJK-UHFFFAOYSA-N;126.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205899;MM205899;NNC(=NOC=O)NN;CWERJTWOGPTIDX-UHFFFAOYSA-N;133.11;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205900;MM205900;CNc1n[nH]c(C=O)n1;DDKKYBGORAOAKS-UHFFFAOYSA-N;126.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205901;MM205901;CNc1n[nH]c(C#N)n1;PTVBAELEGXJPEX-UHFFFAOYSA-N;123.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205902;MM205902;C=Cc1nc(OC)n[nH]1;VWZOUWNRHWTRLJ-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205903;MM205903;C=Cc1ccc(CC)o1;IXUQNBIJEOYXFG-UHFFFAOYSA-N;122.17;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205904;MM205904;CCc1ccc(C=O)o1;XADGZBXFWQHBDB-UHFFFAOYSA-N;124.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205905;MM205905;CCc1ccc(C#N)o1;MZNNFRYDYKRGAF-UHFFFAOYSA-N;121.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205906;MM205906;C=Cc1ccc(CO)o1;MNAMVUPDGBOUQF-UHFFFAOYSA-N;124.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205907;MM205907;O=Cc1ccc(CO)o1;NOEGNKMFWQHSLB-UHFFFAOYSA-N;126.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205908;MM205908;N#Cc1ccc(CO)o1;XAOLIZQQNMUXQB-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205909;MM205909;C=Cc1ccc(CF)o1;CDBJZDZUABXTRB-UHFFFAOYSA-N;126.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205910;MM205910;O=Cc1ccc(CF)o1;NWOKZDMHAXVEJJ-UHFFFAOYSA-N;128.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205911;MM205911;N#Cc1ccc(CF)o1;YEBGOQMGWBWKPS-UHFFFAOYSA-N;125.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205912;MM205912;C=Cc1ccc(NC)o1;TXQKUXDTUWPTHJ-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205913;MM205913;CNc1ccc(C#N)o1;GMEKXMIITBTHSN-UHFFFAOYSA-N;122.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205914;MM205914;C=Cc1ccc(OC)o1;OISZQDNNOSGHEA-UHFFFAOYSA-N;124.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205915;MM205915;COc1ccc(C=O)o1;RJGBSYZFOCAGQY-UHFFFAOYSA-N;126.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205916;MM205916;COc1ccc(C#N)o1;DZSPGFZTDCNMII-UHFFFAOYSA-N;123.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205917;MM205917;C=Cc1ncc(CC)o1;WXWTUUZHUINLMR-UHFFFAOYSA-N;123.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205918;MM205918;CCc1cnc(C=O)o1;OAFKSZXBMPQKOI-UHFFFAOYSA-N;125.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205919;MM205919;CCc1cnc(C#N)o1;COWSCCAVRPZHFH-UHFFFAOYSA-N;122.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205920;MM205920;C=Cc1ncc(CO)o1;JQEKVXBFKZIFQV-UHFFFAOYSA-N;125.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205921;MM205921;O=Cc1ncc(CO)o1;HQSLGMFHUCILMX-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205922;MM205922;N#Cc1ncc(CO)o1;SVVUISWOKWYWKG-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205923;MM205923;C=Cc1ncc(CF)o1;IIHTVLUQISZLRZ-UHFFFAOYSA-N;127.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205924;MM205924;O=Cc1ncc(CF)o1;MUDNBZGBCYUUEB-UHFFFAOYSA-N;129.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205925;MM205925;N#Cc1ncc(CF)o1;OQOXOGAMGFRFDY-UHFFFAOYSA-N;126.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205926;MM205926;NN=C1CCC(=O)NC1;FJVRIYKVKHNOFR-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205927;MM205927;CC(C)=NOC(C)(C)CO;DDIIEASMQQJIIK-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205928;MM205928;CNc1cnc(C#N)o1;CPSSQMCOIBOBND-UHFFFAOYSA-N;123.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205929;MM205929;C=Cc1ncc(OC)o1;GNGOBMWODIDOKQ-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205930;MM205930;COc1cnc(C=O)o1;YWFPKSVDRVATBD-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205931;MM205931;COc1cnc(C#N)o1;ADRXCSMNDVPDOK-UHFFFAOYSA-N;124.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205932;MM205932;C=Cc1cnc(CC)o1;QEHKDDIOFXYZPK-UHFFFAOYSA-N;123.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205933;MM205933;CCc1ncc(C=O)o1;ADONCDFFNZWCJU-UHFFFAOYSA-N;125.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205934;MM205934;CCc1ncc(C#N)o1;GTIMNBOAZGDTNH-UHFFFAOYSA-N;122.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205935;MM205935;C=Cc1cnc(CO)o1;CBZOJFPCTRFVRX-UHFFFAOYSA-N;125.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205936;MM205936;O=Cc1cnc(CO)o1;PYCWBQGWTZYCMY-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205937;MM205937;N#Cc1cnc(CO)o1;QQZJLRLLKAXGDD-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205938;MM205938;C=Cc1cnc(CF)o1;YSBAIPMNIMTMAS-UHFFFAOYSA-N;127.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205939;MM205939;O=Cc1cnc(CF)o1;HOHSOJGAKDUMJY-UHFFFAOYSA-N;129.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205940;MM205940;N#Cc1cnc(CF)o1;QLHXVAPHMVUAIT-UHFFFAOYSA-N;126.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205941;MM205941;C=NNCC(O)C(C)(C)C;QWGDWNQNLIFBON-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205942;MM205942;CNc1ncc(C=O)o1;OHVWNYUTLLUISA-UHFFFAOYSA-N;126.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205943;MM205943;CNc1ncc(C#N)o1;WWTXZWMRUQBCQB-UHFFFAOYSA-N;123.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205944;MM205944;C=Cc1cnc(OC)o1;NOEJIFDMWQTRQB-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205945;MM205945;COc1ncc(C=O)o1;DLFGFPLIQUCYEE-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205946;MM205946;COc1ncc(C#N)o1;GHEAMXAQGRONIY-UHFFFAOYSA-N;124.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205947;MM205947;C=Cc1nnc(CC)o1;NITPDNLQTDJLCI-UHFFFAOYSA-N;124.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205948;MM205948;CCc1nnc(C=O)o1;VFROXXDCHADKGU-UHFFFAOYSA-N;126.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205949;MM205949;CCc1nnc(C#N)o1;MNTUKUMKXIDEIQ-UHFFFAOYSA-N;123.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205950;MM205950;C=Cc1nnc(CO)o1;PNQULCKAPSSXSB-UHFFFAOYSA-N;126.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205951;MM205951;O=Cc1nnc(CO)o1;YFQBNRHPIFKHGQ-UHFFFAOYSA-N;128.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205952;MM205952;N#Cc1nnc(CO)o1;TUGNNNSNIUTTAX-UHFFFAOYSA-N;125.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205953;MM205953;C=Cc1nnc(CF)o1;CLHTXADGCBAJTP-UHFFFAOYSA-N;128.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205954;MM205954;O=Cc1nnc(CF)o1;BVFYNBBQXOVSGU-UHFFFAOYSA-N;130.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205955;MM205955;N#Cc1nnc(CF)o1;COUWVPHRGNFRDN-UHFFFAOYSA-N;127.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205956;MM205956;C=Cc1nnc(NC)o1;GHRDSOXKQGKGST-UHFFFAOYSA-N;125.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205957;MM205957;CNc1nnc(C=O)o1;VPWFLQLRCVRQHW-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205958;MM205958;CNc1nnc(C#N)o1;RUEBTOZMWZNDNG-UHFFFAOYSA-N;124.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205959;MM205959;C=Cc1nnc(OC)o1;WRIYTQFFNKIVBX-UHFFFAOYSA-N;126.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205960;MM205960;COc1nnc(C=O)o1;CTRIZWRTZATRAI-UHFFFAOYSA-N;128.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205961;MM205961;COc1nnc(C#N)o1;CFWVOHUNXIWDKO-UHFFFAOYSA-N;125.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205962;MM205962;C#CC1=CC=C(CC)C1;IPGHVDUCYFVJCL-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205963;MM205963;C#CC1=CC=C(CN)C1;NALQICVSZBHXTB-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205964;MM205964;C#CC1=CC=C(CO)C1;VTUQJTFYXYBAST-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205965;MM205965;C#CC1=CC=C(CF)C1;BDGJYSHNKBAXEX-UHFFFAOYSA-N;122.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205966;MM205966;C#CC1=CC=C(OC)C1;YNGGMAMOFFFDIZ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205967;MM205967;C#CC1=NN=C(CC)C1;WCSZWQHWOJHSDL-UHFFFAOYSA-N;120.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205968;MM205968;C#CC1=NN=C(CO)C1;VUTFMYWMQKUYKN-UHFFFAOYSA-N;122.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205969;MM205969;C#CC1=NN=C(CF)C1;JXSFGAQCORWNSX-UHFFFAOYSA-N;124.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205970;MM205970;C#CC1=NN=C(OC)C1;JKAJSNQWBMLHSG-UHFFFAOYSA-N;122.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205971;MM205971;C#Cc1ccc(CC)[nH]1;FKCMUPWBAOWWIE-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205972;MM205972;C#Cc1ccc(CN)[nH]1;YYYWOCRPQGJHRB-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205973;MM205973;C#Cc1ccc(CO)[nH]1;KAPYHKTZYBMPKR-UHFFFAOYSA-N;121.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205974;MM205974;C#Cc1ccc(CF)[nH]1;AQDMOOUBNFACRG-UHFFFAOYSA-N;123.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205975;MM205975;CCC=NOC(C)(C)CO;JWPWLFGNJIGWGA-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205976;MM205976;C#Cc1ccc(OC)[nH]1;CWDWYHXQKBUTBR-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205977;MM205977;C=CC=NOC(C)(C)CO;ODCPKRCTZZSRGR-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205978;MM205978;C#CC(C)(C)N(O)C=NN;ANTKNNNQOVSDOY-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205979;MM205979;NC(=O)C(N)(CO)C(N)=O;SZHJNAYVNFZAJE-UHFFFAOYSA-N;147.13;-3.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205980;MM205980;CC(=NOC(N)=O)N(C)C;BRLFMKIYSQDQHL-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205981;MM205981;C#Cc1nc(OC)c[nH]1;MIHOEVTXPOQTCN-UHFFFAOYSA-N;122.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205982;MM205982;C=NOC(=O)CC(F)CO;DJJWRPOXXGFROI-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205983;MM205983;C=CC(O)CN(O)C=NN;RTJOONZIKSEZEE-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205984;MM205984;C=CN(C)C(C)=NC(N)=O;GTFMGFFQNGWUES-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205985;MM205985;C#Cc1cnc(OC)[nH]1;HDYHGOFDSBQCBQ-UHFFFAOYSA-N;122.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205986;MM205986;C#Cc1nc(CC)n[nH]1;VMBZNSMADYLVKS-UHFFFAOYSA-N;121.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205987;MM205987;C#Cc1nc(NC)n[nH]1;HHCUDHPUIJOIEJ-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205988;MM205988;C#Cc1nc(OC)n[nH]1;OYJNRGVQUBUEJX-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205989;MM205989;C#Cc1ccc(CC)o1;RUSPIGUSMZOYFR-UHFFFAOYSA-N;120.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205990;MM205990;C#Cc1ccc(CO)o1;LJVULOZMDNUXBE-UHFFFAOYSA-N;122.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205991;MM205991;C#Cc1ccc(CF)o1;SUONXVIHXIUGAK-UHFFFAOYSA-N;124.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205992;MM205992;C#Cc1ccc(NC)o1;YSVGYXCOIJSSFU-UHFFFAOYSA-N;121.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205993;MM205993;C#Cc1ccc(OC)o1;RTLCKEIWFCZWJA-UHFFFAOYSA-N;122.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205994;MM205994;C#Cc1ncc(CC)o1;DSGDOLMRYSNNHM-UHFFFAOYSA-N;121.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205995;MM205995;C#Cc1ncc(CO)o1;VVRKZXOGLJFEHN-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205996;MM205996;C#Cc1ncc(CF)o1;YLKGLTHAMFTSOU-UHFFFAOYSA-N;125.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205997;MM205997;C=CNC(=O)C=CNN=C;MTEZSQMMJAEVDQ-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205998;MM205998;C#Cc1ncc(OC)o1;SECSDDYCVOLLNQ-UHFFFAOYSA-N;123.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM205999;MM205999;C#Cc1cnc(CC)o1;TTZUQWKSZVZZEP-UHFFFAOYSA-N;121.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206000;MM206000;C#Cc1cnc(CO)o1;GNRPUKCKGDPHHI-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206001;MM206001;C#Cc1cnc(CF)o1;DEJDEQPMZFFOOR-UHFFFAOYSA-N;125.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206002;MM206002;CN=CN(O)C=NC=NN;VKIGVBYVWORBRS-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206003;MM206003;C#Cc1cnc(OC)o1;ISULTCSJVDDZOG-UHFFFAOYSA-N;123.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206004;MM206004;C#Cc1nnc(CC)o1;NUYDXHLMLYAPEW-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206005;MM206005;C#Cc1nnc(CO)o1;VBEANFNHEGCSQQ-UHFFFAOYSA-N;124.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206006;MM206006;C#Cc1nnc(CF)o1;CTVMKVOOFDMKNW-UHFFFAOYSA-N;126.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206007;MM206007;C#Cc1nnc(NC)o1;JUOFZYKIPWZGDW-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206008;MM206008;C#Cc1nnc(OC)o1;FNMHAIPVCSJRHQ-UHFFFAOYSA-N;124.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206009;MM206009;C=CC1=CC=C(C=C)C1;LMHSJRGJGBSJRA-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206010;MM206010;C=CC1=CC=C(C=O)C1;IFMPBLBABQAZAQ-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206011;MM206011;C=CC1=CC=C(C#N)C1;PKOWMCUMSTZYLM-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206012;MM206012;O=CC1=CC=C(C=O)C1;HPBOEDPHCHBBMF-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206013;MM206013;N#CC1=CC=C(C=O)C1;LQGBQVHLXKMIHT-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206014;MM206014;N#CC1=CC=C(C#N)C1;RSBQIVSNJYIHQG-UHFFFAOYSA-N;116.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206015;MM206015;C=CC1=NN=C(C=C)C1;HOFJPCVEHMVQLY-UHFFFAOYSA-N;120.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206016;MM206016;C=CC1=NN=C(C=O)C1;ZNEOQGQPHHJIDP-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206017;MM206017;C=CC1=NN=C(C#N)C1;XHAQBICCXFWKPM-UHFFFAOYSA-N;119.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206018;MM206018;C=Cc1ccc(C=C)[nH]1;TYCMEIFYVPECRQ-UHFFFAOYSA-N;119.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206019;MM206019;C=Cc1ccc(C#N)[nH]1;FCTZZSUYNXHQCP-UHFFFAOYSA-N;118.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206020;MM206020;Cn1nnc(O)c1N;HNHKDNNNYARAHK-UHFFFAOYSA-N;114.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206021;MM206021;N#CCc1cc(O)n(O)n1;OBHKJLGNVRSGNA-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206022;MM206022;N#Cc1ccc(C#N)[nH]1;AXTFVVDDOGBXBV-UHFFFAOYSA-N;117.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206023;MM206023;C=CCN(O)C(=N)OCC;DFFUCXXASYMMJN-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206024;MM206024;C=Cc1c[nH]c(C=O)n1;FJTQKFNZSUCNRO-UHFFFAOYSA-N;122.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206025;MM206025;C=Cc1c[nH]c(C#N)n1;ZPSICGBEZWAYJK-UHFFFAOYSA-N;119.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206026;MM206026;Nn1nnc(=NO)nc1O;LHEOSXMBPHOFPI-UHFFFAOYSA-N;144.09;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206027;MM206027;C=Cc1nc(C#N)c[nH]1;KLASZABOURYPFJ-UHFFFAOYSA-N;119.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206028;MM206028;CNn1nc(O)ncc1=O;BLPMKWSCFAVJGE-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206029;MM206029;Nn1oc(=O)nc1O;HHRCPYHLHCJWHK-UHFFFAOYSA-N;117.06;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206030;MM206030;C=Cc1n[nH]c(C=C)n1;AAAAUJQDHWCONT-UHFFFAOYSA-N;121.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206031;MM206031;O=c1nnn(O)c(=O)n1O;ZHKRUMNFVUTFHR-UHFFFAOYSA-N;146.06;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206032;MM206032;C=Cc1nc(C#N)n[nH]1;XECGDRAQPWQELR-UHFFFAOYSA-N;120.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206033;MM206033;N=c1nnn(O)c(O)c1F;BQRXFOFOZRNLGE-UHFFFAOYSA-N;146.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206034;MM206034;C#Cc1oc(F)c(O)c1F;ADQYCHYRTRSPKF-UHFFFAOYSA-N;144.08;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206035;MM206035;C=Cc1ccc(C=C)o1;QALPFALLZGMMHB-UHFFFAOYSA-N;120.15;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206036;MM206036;C=Cc1ccc(C=O)o1;YOYFXGKQGYRVDG-UHFFFAOYSA-N;122.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206037;MM206037;C=Cc1ccc(C#N)o1;OQGUAPYXHCBWQV-UHFFFAOYSA-N;119.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206038;MM206038;O=Cc1ccc(C=O)o1;PXJJKVNIMAZHCB-UHFFFAOYSA-N;124.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206039;MM206039;N#Cc1ccc(C=O)o1;PUQKOVRPNHYQIY-UHFFFAOYSA-N;121.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206040;MM206040;N#Cc1ccc(C#N)o1;KCSYJHQYWTYFCM-UHFFFAOYSA-N;118.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206041;MM206041;C=Cc1cnc(C=C)o1;IZBYGTOLSANNQA-UHFFFAOYSA-N;121.14;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206042;MM206042;C=Cc1cnc(C=O)o1;YNQPIVJRJXYRLQ-UHFFFAOYSA-N;123.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206043;MM206043;C=Cc1cnc(C#N)o1;XCCVNVNTQLDDEW-UHFFFAOYSA-N;120.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206044;MM206044;C=Cc1ncc(C=O)o1;KBHFVJNQXVPWPF-UHFFFAOYSA-N;123.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206045;MM206045;C=Cc1ncc(C#N)o1;QGKWCLLSDGOZNG-UHFFFAOYSA-N;120.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206046;MM206046;O=Cc1cnc(C=O)o1;FRPWGFRQGXLOJD-UHFFFAOYSA-N;125.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206047;MM206047;N#Cc1cnc(C=O)o1;DCDMDFKQZVIGAZ-UHFFFAOYSA-N;122.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206048;MM206048;N#Cc1ncc(C=O)o1;MPUXAXKAOZCYFL-UHFFFAOYSA-N;122.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206049;MM206049;N#Cc1cnc(C#N)o1;AHDASNKQUKIIBM-UHFFFAOYSA-N;119.08;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206050;MM206050;C=Cc1nnc(C=C)o1;HYBBBYQCKOTOEN-UHFFFAOYSA-N;122.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206051;MM206051;C=Cc1nnc(C=O)o1;OSGPUCBQEVHZIH-UHFFFAOYSA-N;124.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206052;MM206052;C=Cc1nnc(C#N)o1;GPINELZLRHCPDC-UHFFFAOYSA-N;121.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206053;MM206053;O=Cc1nnc(C=O)o1;IKLRDMSYHURSNU-UHFFFAOYSA-N;126.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206054;MM206054;N#Cc1nnc(C=O)o1;QCFGBSOJUYIXIR-UHFFFAOYSA-N;123.07;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206055;MM206055;N#Cc1nnc(C#N)o1;LOTJQFLMCOCCAO-UHFFFAOYSA-N;120.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206056;MM206056;C#CC1=CC=C(C=C)C1;IILWCMBHESMSIY-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206057;MM206057;C#CC1=CC=C(C=O)C1;YMARHIIGLZPXPB-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206058;MM206058;C#CC1=CC=C(C#N)C1;PYIJENLRFXJELV-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206059;MM206059;C#CC1=NN=C(C=C)C1;ACBVPWXBPLZGFL-UHFFFAOYSA-N;118.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206060;MM206060;C#CC1=NN=C(C=O)C1;JAIOAQHIFDHNME-UHFFFAOYSA-N;120.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206061;MM206061;C#CC1=NN=C(C#N)C1;NQIORHPRFLZRHG-UHFFFAOYSA-N;117.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206062;MM206062;C#Cc1ccc(C=C)[nH]1;MBHLVSRRYBEBKW-UHFFFAOYSA-N;117.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206063;MM206063;C#Cc1ccc(C#N)[nH]1;CABSTDWKTOINHQ-UHFFFAOYSA-N;116.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206064;MM206064;CN(N)C(=O)C(CO)=NN;ZBUHHNWRQKSRQZ-UHFFFAOYSA-N;146.15;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206065;MM206065;CC(C)C(O)CCC(=O)O;GNEPNFNLYWXXTJ-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206066;MM206066;C#Cc1nc(C#N)c[nH]1;KXKQWEZRIMEOSC-UHFFFAOYSA-N;117.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206067;MM206067;CC(=NNCCO)C(C)O;RHWIKAJZOXQEQM-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206068;MM206068;C#Cc1c[nH]c(C=O)n1;AQHTTXJXGYQILF-UHFFFAOYSA-N;120.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206069;MM206069;C#Cc1c[nH]c(C#N)n1;MRARRERIPUJILH-UHFFFAOYSA-N;117.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206070;MM206070;C#Cc1nc(C=C)n[nH]1;OCYRGJSIJMQDIC-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206071;MM206071;CCC(C)(O)CCC(=O)O;BHWOTLCMMUBASI-UHFFFAOYSA-N;146.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206072;MM206072;C#Cc1ccc(C=C)o1;VTXPAXOVTKEFMS-UHFFFAOYSA-N;118.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206073;MM206073;C#Cc1ccc(C=O)o1;GLKRAHZOHLVTTM-UHFFFAOYSA-N;120.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206074;MM206074;C#Cc1ccc(C#N)o1;NJHMBJZOYZUPSB-UHFFFAOYSA-N;117.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206075;MM206075;C#Cc1ncc(C=C)o1;XXOXCOZUHXFNGJ-UHFFFAOYSA-N;119.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206076;MM206076;C#Cc1ncc(C=O)o1;AJKUXNKGFIDFBJ-UHFFFAOYSA-N;121.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206077;MM206077;C#Cc1ncc(C#N)o1;MGPXQAWBZXOPNF-UHFFFAOYSA-N;118.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206078;MM206078;C#Cc1cnc(C=C)o1;IRITVAJUBVTUHD-UHFFFAOYSA-N;119.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206079;MM206079;C#Cc1cnc(C=O)o1;UWZRHQVVMXAEGH-UHFFFAOYSA-N;121.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206080;MM206080;C#Cc1cnc(C#N)o1;XBHVLDQADPMHMO-UHFFFAOYSA-N;118.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206081;MM206081;C#Cc1nnc(C=C)o1;PLDGHCDSCZVHLN-UHFFFAOYSA-N;120.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206082;MM206082;C#Cc1nnc(C=O)o1;WSBQSSRAEZOCPE-UHFFFAOYSA-N;122.08;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206083;MM206083;C#Cc1nnc(C#N)o1;UBZIIRXESJOTHF-UHFFFAOYSA-N;119.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206084;MM206084;C#CC1=CC=C(C#C)C1;IUWWOZCJLUSYQX-UHFFFAOYSA-N;114.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206085;MM206085;C#CC1=NN=C(C#C)C1;ACGFZZYSVUVVOI-UHFFFAOYSA-N;116.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206086;MM206086;C#Cc1ccc(C#C)[nH]1;UWXYKUFPSHARGS-UHFFFAOYSA-N;115.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206087;MM206087;N=C(C(N)=O)N(O)CC=O;FNOALLPUNRGKNB-UHFFFAOYSA-N;145.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206088;MM206088;C#Cc1n[nH]c(C#C)n1;NWMCEJMPMIGZSE-UHFFFAOYSA-N;117.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206089;MM206089;C#Cc1ccc(C#C)o1;RJMLQDJXSLTMLQ-UHFFFAOYSA-N;116.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206090;MM206090;C#Cc1cnc(C#C)o1;GVUOBHDVNNKLTB-UHFFFAOYSA-N;117.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206091;MM206091;C#Cc1nnc(C#C)o1;OSTPJXKCNPQIFY-UHFFFAOYSA-N;118.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206092;MM206092;CCC1=CC(CC)CC1;KJGFSRPXYLGHRI-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206093;MM206093;CCC1C=C(CN)CC1;SQBADIHXKQQVSN-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206094;MM206094;CCC1C=C(CO)CC1;TYMGEFQSZDNDBH-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206095;MM206095;CCC1C=C(CF)CC1;OOKQFWBTPCTLFE-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206096;MM206096;CCC1=CC(CN)CC1;NHKGABGVUUMULS-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206097;MM206097;NCC1=CC(CN)CC1;BYCWBXCTBBEAMU-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206098;MM206098;NCC1C=C(CO)CC1;ALFODMIDBDKTLH-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206099;MM206099;NCC1C=C(CF)CC1;DTVMLQOXOOREBX-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206100;MM206100;N=C1CN(O)C(=N)CN1O;PIALWERWJSXALT-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206101;MM206101;NCC1=CC(CO)CC1;LMSMAPJPEYCSMW-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206102;MM206102;N=CN(O)C=NC(=N)C=O;UOLJOLOJRWFYBA-UHFFFAOYSA-N;142.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206103;MM206103;N=CN(O)C=NC(=O)C=O;ZTBCXGZYBWEPBG-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206104;MM206104;CCC1=CC(CF)CC1;ODFWIBXOSHXTEG-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206105;MM206105;NCC1=CC(CF)CC1;JQDSCFZMPMHOKN-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206106;MM206106;OCC1=CC(CF)CC1;PZUDNZVYEPSMHF-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206107;MM206107;FCC1=CC(CF)CC1;QEALBXHDRJMZCX-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206108;MM206108;CCC1C=C(OC)CC1;YEERXWVHVPXZJJ-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206109;MM206109;COC1=CC(CN)CC1;YSIXQKLOOWSMKF-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206110;MM206110;COC1=CC(CO)CC1;GURXWIPPFKZXAR-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206111;MM206111;COC1=CC(CF)CC1;AVCVCPYMPGYREM-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206112;MM206112;CCC1=CC(NC)CC1;FKIOJLCMGTURLE-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206113;MM206113;CNC1C=C(CN)CC1;LMVKKJULRSFJGW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206114;MM206114;CNC1C=C(CO)CC1;KQQRFMXXUOPQRS-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206115;MM206115;CNC1C=C(CF)CC1;WAFPKXRQKCQSKY-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206116;MM206116;CNC1C=C(OC)CC1;YAGDOJOXVTZRAM-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206117;MM206117;CCC1=CC(OC)CC1;UKHSAEIINDQHAW-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206118;MM206118;COC1C=C(CN)CC1;KAEGJNHUXRJPKZ-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206119;MM206119;COC1C=C(CO)CC1;XBBDKHGOKBATQI-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206120;MM206120;COC1C=C(CF)CC1;CTRILSIMBIGBIB-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206121;MM206121;COC1=CC(OC)CC1;TTZMYHBRZDFVLN-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206122;MM206122;CCC1=CC(CC)CO1;MBPQJBDLRDWJRY-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206123;MM206123;CCC1C=C(CN)OC1;HSLNJMBFESLXOR-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206124;MM206124;CCC1C=C(CO)OC1;XLILTMWAMXZNSE-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206125;MM206125;CCC1C=C(CF)OC1;ZFYCOQGJOXYDPD-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206126;MM206126;CCC1=CC(CN)CO1;VIXFFORQAXIBSL-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206127;MM206127;NCC1=CC(CN)CO1;XMLMFPWJJVDGMT-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206128;MM206128;NCC1C=C(CO)OC1;FTHHWNXUZDGNBS-UHFFFAOYSA-N;129.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206129;MM206129;NCC1C=C(CF)OC1;GTUACAUIUZEVQM-UHFFFAOYSA-N;131.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206130;MM206130;CCC1=CC(CO)CO1;YWLWVZVTQZUNNJ-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206131;MM206131;NCC1=CC(CO)CO1;BQRVWQDNRRWLOW-UHFFFAOYSA-N;129.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206132;MM206132;OCC1=CC(CO)CO1;LYNRIDJTTYULRG-UHFFFAOYSA-N;130.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206133;MM206133;OCC1C=C(CF)OC1;SCDFSWXYIRJOFR-UHFFFAOYSA-N;132.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206134;MM206134;CCC1=CC(CF)CO1;QLIGNJZTISSAOC-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206135;MM206135;NCC1=CC(CF)CO1;KXVKCAFCLSGBNM-UHFFFAOYSA-N;131.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206136;MM206136;OCC1=CC(CF)CO1;VQTSVCXONLPILT-UHFFFAOYSA-N;132.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206137;MM206137;FCC1=CC(CF)CO1;YVQBYFOZGWIHKG-UHFFFAOYSA-N;134.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206138;MM206138;CCC1=CC(NC)CO1;PTDSWASIAVEOGF-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206139;MM206139;CNC1C=C(CN)OC1;JUGAPNSTPZQRAR-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206140;MM206140;CNC1C=C(CO)OC1;IKYWVZSMHHPZRC-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206141;MM206141;CNC1C=C(CF)OC1;PKVWKDGAMBLGRY-UHFFFAOYSA-N;131.15;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206142;MM206142;CCC1=CC(OC)CO1;CITAJHACTWHUOT-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206143;MM206143;COC1C=C(CN)OC1;ULUOSUPPPICPPF-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206144;MM206144;COC1C=C(CO)OC1;BPVBNXZFKRGDEJ-UHFFFAOYSA-N;130.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206145;MM206145;COC1C=C(CF)OC1;RAILETYKSQTSCM-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206146;MM206146;CCC1=CC(CC)NC1;MEPAOKCPVIVOJC-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206147;MM206147;CCC1C=C(CN)CN1;KYTDPZQADNIJFM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206148;MM206148;CCC1C=C(CO)CN1;DAFGTAPBOFFHAI-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206149;MM206149;CCC1C=C(CF)CN1;OSDQGCMTCBLULZ-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206150;MM206150;CCC1=CC(CN)NC1;IWNBJNGHHVPFKF-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206151;MM206151;NCC1=CC(CN)NC1;UYEMHEGKSWENFM-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206152;MM206152;NCC1C=C(CO)CN1;WAZUJQWYLOQIRM-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206153;MM206153;NCC1C=C(CF)CN1;LENDSGAYSFBMFP-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206154;MM206154;CCC1=CC(CO)NC1;IPDNAOGHRPSRMG-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206155;MM206155;NCC1=CC(CO)NC1;AGASVWDSBMTEDP-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206156;MM206156;OCC1=CC(CO)NC1;AUMJCBCCIIJPPH-UHFFFAOYSA-N;129.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206157;MM206157;OCC1C=C(CF)CN1;YNFNQYUJCFDZBD-UHFFFAOYSA-N;131.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206158;MM206158;CCC1=CC(CF)NC1;BDAKVPHVRRYNMP-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206159;MM206159;NCC1=CC(CF)NC1;MJZNHNQNPFMKPB-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206160;MM206160;OCC1=CC(CF)NC1;RDEBRVAXSJYMNT-UHFFFAOYSA-N;131.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206161;MM206161;FCC1=CC(CF)NC1;SMNOKJQQZCHNBQ-UHFFFAOYSA-N;133.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206162;MM206162;CCC1C=C(OC)CN1;TWLXNHCXAXYJIL-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206163;MM206163;COC1=CC(CN)NC1;MVFBMTYRKXJWHN-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206164;MM206164;COC1=CC(CO)NC1;SBTILYLAHVGQOD-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206165;MM206165;CCC1=CC(CC)OC1;CTZMEBANNWGUAL-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206166;MM206166;CCC1C=C(CN)CO1;MERVBYKJLJWKMC-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206167;MM206167;CCC1C=C(CO)CO1;FXSUJGXFCYPNJK-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206168;MM206168;CCC1C=C(CF)CO1;FIGGGAUENFWJRU-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206169;MM206169;CCC1=CC(CN)OC1;VQPNQGDVQIZDND-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206170;MM206170;NCC1=CC(CN)OC1;QBSWONXSXIIKKP-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206171;MM206171;NCC1C=C(CO)CO1;GXRNAHFAPNTBJZ-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206172;MM206172;NCC1C=C(CF)CO1;FXHKRGXIWCXYHA-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206173;MM206173;CCC1=CC(CO)OC1;VCHQXEJVNAFOSQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206174;MM206174;NCC1=CC(CO)OC1;WCFLQKFJWIPQHR-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206175;MM206175;OCC1=CC(CO)OC1;VUGWTXZOWYCRRJ-UHFFFAOYSA-N;130.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206176;MM206176;OCC1C=C(CF)CO1;VCWJZYHVIJWVJO-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206177;MM206177;CCC1=CC(CF)OC1;TYGQDCOIJSMCQI-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206178;MM206178;NCC1=CC(CF)OC1;RWBWHMYKPGYIIB-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206179;MM206179;FCC1=CC(CF)OC1;JGHHKWXENFBWTQ-UHFFFAOYSA-N;134.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206180;MM206180;CCC1C=C(OC)CO1;RHHHBUBAPHKJEI-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206181;MM206181;COC1=CC(CN)OC1;BYMSGPZXUOSTDO-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206182;MM206182;COC1=CC(CO)OC1;KEMSDWVSDAVTDQ-UHFFFAOYSA-N;130.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206183;MM206183;CCC1=CC(OC)OC1;OWMHOGHQZYVOEV-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206184;MM206184;COC1C=C(CN)CO1;PQRVRTVAHDTFON-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206185;MM206185;COC1C=C(CO)CO1;HLEPLEVSCOVNGC-UHFFFAOYSA-N;130.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206186;MM206186;COC1C=C(CF)CO1;LROJIWPUDNLPAQ-UHFFFAOYSA-N;132.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206187;MM206187;COC1=CC(OC)OC1;DWWPCFRRGFDBIW-UHFFFAOYSA-N;130.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206188;MM206188;CC(N=CN(O)C=N)=NN;UWMSWZLWHLRIQZ-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206189;MM206189;CCC1=NC(CO)CN1;AWSCZJVQAMANOG-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206190;MM206190;CCC1CNC(NC)=N1;ODCBEKPXGLUBST-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206191;MM206191;CCC1CNC(NN)=N1;ZMBAKAOAEYJBFJ-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206192;MM206192;CCC1CNC(NO)=N1;TZXGVQDXAKTJGC-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206193;MM206193;CNC1=NC(CN)CN1;MLVSFSZEWSLNHN-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206194;MM206194;NCC1CNC(NO)=N1;RBTIYTFXMGUZRR-UHFFFAOYSA-N;130.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206195;MM206195;CNC1=NC(CO)CN1;IXBWQPRVBPASDX-UHFFFAOYSA-N;129.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206196;MM206196;NNC1=NC(CO)CN1;KRVSAYKFGNJFMZ-UHFFFAOYSA-N;130.15;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206197;MM206197;OCC1CNC(NO)=N1;MAFKJMPDEXBWPO-UHFFFAOYSA-N;131.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206198;MM206198;CNC1=NC(CF)CN1;HGDOKVHYSYPWPS-UHFFFAOYSA-N;131.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206199;MM206199;ONC1=NC(CF)CN1;GCTWAGQANPAVIW-UHFFFAOYSA-N;133.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206200;MM206200;CC(CO)NC(C#N)CO;OHMMUJVMPFUUKD-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206201;MM206201;C#CC(CO)OC(C)=NN;KWXWJBAHZAAWPR-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206202;MM206202;CCC1COC(NN)=N1;ZVLLWHMXIBBCLM-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206203;MM206203;CCC(=NOC(N)=O)NC;SVWRZFIPWFKIKX-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206204;MM206204;C#CC(C)N(O)C(C)=NN;YRBCQBXWEUOCNB-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206205;MM206205;C=CN(O)C(=N)C(C)=NN;BHAQHCGSFSHBOC-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206206;MM206206;C#CC(=N)N(O)CC#CC;XYAVZYNXMIERSK-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206207;MM206207;CCC1=NN(CC)CC1;VZJKEDUIVVEXCZ-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206208;MM206208;C=CC(=C)N(O)C=NNC;GCBMYKPWPIPYMP-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206209;MM206209;CCN1CCC(CF)=N1;QXIYCUATKFXNRJ-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206210;MM206210;CCN1CCC(OC)=N1;NRCUVLPSRARVAS-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206211;MM206211;C=CC1=CC(CC)CC1;HOPWKSVLLQKOLD-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206212;MM206212;CCC1C=C(C=O)CC1;UTZPMCWGHQBYHB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206213;MM206213;CCC1C=C(C#N)CC1;YZJNXBHHRPQJBW-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206214;MM206214;C=CC1=CC(CN)CC1;JZVDUQNGQAQXQM-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206215;MM206215;CON=CN=CN(O)C=N;IDJKWGGSVMMPTG-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206216;MM206216;N=CN(O)C=NC=NC=O;ALWMWNRMBJFZJW-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206217;MM206217;C=CN(O)C(C=CF)=NN;ZZCIYWSKXZMMJS-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206218;MM206218;C=CC1=CC(CF)CC1;XWPTWQYUSHDGSE-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206219;MM206219;O=CC1=CC(CF)CC1;KOXRVOSFWBXKDH-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206220;MM206220;N#CC1=CC(CF)CC1;POMUURUSIPWCLV-UHFFFAOYSA-N;125.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206221;MM206221;C=CC1=CC(NC)CC1;OKFXULDXTQBOOB-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206222;MM206222;CNC1C=C(C=O)CC1;AKISTDKUKZROLV-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206223;MM206223;CNC1C=C(C#N)CC1;MYNLIYPMRHUPMH-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206224;MM206224;C=CC1=CC(OC)CC1;DYJCJVOTPBIIHK-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206225;MM206225;COC1C=C(C=O)CC1;ZBPJMZOIFOSTDQ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206226;MM206226;COC1C=C(C#N)CC1;LAJHZWWECIWRKV-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206227;MM206227;C=CC1=CC(CC)CO1;QPDAINBDSOXWQT-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206228;MM206228;CCC1C=C(C=O)OC1;TZSRWYVTYNTHST-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206229;MM206229;CCC1C=C(C#N)OC1;AMOCRRQNIYLUNV-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206230;MM206230;C=CC1=CC(CN)CO1;BYESKWPTXVWLHT-UHFFFAOYSA-N;125.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206231;MM206231;C=CC1=CC(CO)CO1;CDTWPOXWYXDGTM-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206232;MM206232;O=CC1=CC(CO)CO1;MHYLLVWPSQHWFW-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206233;MM206233;N#CC1=CC(CO)CO1;VPCLRGIGXBEGME-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206234;MM206234;C=CC1=CC(CF)CO1;AWXDCIZGNDRXEP-UHFFFAOYSA-N;128.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206235;MM206235;O=CC1=CC(CF)CO1;HPFXIVFFZDYNEE-UHFFFAOYSA-N;130.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206236;MM206236;N#CC1=CC(CF)CO1;ISSNCUICEBTOGD-UHFFFAOYSA-N;127.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206237;MM206237;C=CC1=CC(NC)CO1;CTDQDRMNFUGXIQ-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206238;MM206238;CNC1C=C(C=O)OC1;DXYIVIJWBJWJSK-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206239;MM206239;C=CC1=CC(OC)CO1;SAQIQSBTWWTMTO-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206240;MM206240;COC1C=C(C=O)OC1;CYYFEHOIUWDGDM-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206241;MM206241;COC1C=C(C#N)OC1;GMSCGHCGEFLAGP-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206242;MM206242;C=CC1=CC(CC)NC1;DFAIJZQFZYNOCR-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206243;MM206243;CCC1C=C(C=O)CN1;HKOZLGJJSKZOJA-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206244;MM206244;C=CC1=CC(CN)NC1;FXJNXONQEIFDMK-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206245;MM206245;C=CC1=CC(CO)NC1;LPXBLXVUQDSRLY-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206246;MM206246;O=CC1=CC(CO)NC1;RZXUXCNHRQPHFW-UHFFFAOYSA-N;127.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206247;MM206247;C=CC1=CC(CF)NC1;UKPVKNMHICORDX-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206248;MM206248;O=CC1=CC(CF)NC1;ZHIUFUVTRXSYBA-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206249;MM206249;C=CC1=CC(CC)OC1;XCHDVVPBZZPOGJ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206250;MM206250;CCC1C=C(C=O)CO1;MGTKXJWLBTWYOT-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206251;MM206251;CCC1C=C(C#N)CO1;CXLOTORAFZMVEJ-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206252;MM206252;C=CC1=CC(CN)OC1;BIEKERNCPDQBEM-UHFFFAOYSA-N;125.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206253;MM206253;C=CC1=CC(CO)OC1;RMIYZOAPTBIXSU-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206254;MM206254;O=CC1=CC(CO)OC1;WHMNWXRKJQGYIE-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206255;MM206255;N#CC1=CC(CO)OC1;OBKJIGNNXRVKTB-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206256;MM206256;C=CC1=CC(CF)OC1;UVXGEQUFBDHYMU-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206257;MM206257;N#CC1=CC(CF)OC1;XURBCPZKPBYKOB-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206258;MM206258;C=CC1=CC(OC)OC1;VOHOWNQKMBOGBV-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206259;MM206259;COC1C=C(C=O)CO1;JMVLTAFTPMKHQT-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206260;MM206260;COC1C=C(C#N)CO1;GPUGZXNZGVQNAX-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206261;MM206261;CCN1C=C(C=O)CC1;CPVQPSJMKYYRSA-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206262;MM206262;CCN1C=C(C#N)CC1;QFWQFIDRPGKSRR-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206263;MM206263;C=CC1=NN(CC)CC1;FLZHVHAEIWBIBG-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206264;MM206264;CCN1CCC(C=O)=N1;HRPDMSMFFTVJGA-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206265;MM206265;CCN1CCC(C#N)=N1;VKXHZEUADSJXFV-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206266;MM206266;C#CC1=CC(CC)CC1;QGHFTGADOZSOCV-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206267;MM206267;C#CC1=CC(CN)CC1;NZVGLYNYMXGGKV-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206268;MM206268;C#CC=NN(C=N)C(N)=O;VWUNTQPVWMZUIA-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206269;MM206269;C#CC1=CC(CF)CC1;AUIIMANVMDWODR-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206270;MM206270;C#CC1=CC(NC)CC1;SQMQPOLAROLHNJ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206271;MM206271;C#CC1=CC(OC)CC1;MGQOLODFNZTOCF-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206272;MM206272;C#CC1=CC(CC)CO1;CUCSQABXLVDRID-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206273;MM206273;C#CC1=CC(CN)CO1;DAPFTUVLZJGPTL-UHFFFAOYSA-N;123.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206274;MM206274;C#CC1=CC(CO)CO1;IDJXOHPUJHTARI-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206275;MM206275;C#CC1=CC(CF)CO1;JWDNNTFPPTZBFS-UHFFFAOYSA-N;126.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206276;MM206276;C#CC1=CC(NC)CO1;MVODZUDWPGFKNN-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206277;MM206277;C#CC1=CC(OC)CO1;TWXZVAHQXLPCDR-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206278;MM206278;C#CC1=CC(CC)NC1;NXXWWPFEPXGFND-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206279;MM206279;C#CC1=CC(CN)NC1;BBGCFQQDZURUIC-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206280;MM206280;C#CC1=CC(CO)NC1;SHYYVLHTMHQNCU-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206281;MM206281;C#CC1=CC(CF)NC1;WECSBLPANVOKNQ-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206282;MM206282;C#CC1=CC(CC)OC1;CNMBUHZSECZZJE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206283;MM206283;C#CC1=CC(CN)OC1;PYJZRZZGUWUXDH-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206284;MM206284;C#CC1=CC(CO)OC1;XINWFYYUAWDQLP-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206285;MM206285;C#CC1=CC(CF)OC1;CAVMUVYGABTTDF-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206286;MM206286;C#CC1=CC(OC)OC1;BVRPNYKFJAVKHB-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206287;MM206287;C#CC1=NN(CC)CC1;NGHPTVUQVHDMHG-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206288;MM206288;C=CC1C=C(CC)CC1;YTOQQGBIDFDKGJ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206289;MM206289;C=CC1C=C(CN)CC1;SFHFADAPDKMGOT-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206290;MM206290;C#CC=CC(=NN)C(C)O;KRBHNBKRXLUHTJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206291;MM206291;C=CC1C=C(CF)CC1;GQDRBIMFJOFOME-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206292;MM206292;CCC1=CC(C=O)CC1;FJKADHLEAGJSPZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206293;MM206293;CCC1=CC(C#N)CC1;DDOKFIJXRDUFFB-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206294;MM206294;Cn1nc(CO)c(=NN)o1;UQFKNCTUSIUROC-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206295;MM206295;N#CC1C=C(CO)CC1;IUZRUQZSZQOOSR-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206296;MM206296;O=CC1C=C(CF)CC1;RVDUZTJUJWFNRQ-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206297;MM206297;N#CC1C=C(CF)CC1;HHDQOFAKLQEAIG-UHFFFAOYSA-N;125.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206298;MM206298;C=CC1C=C(OC)CC1;CFBATFBFJOINLB-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206299;MM206299;COC1=CC(C=O)CC1;SNEZOMQJCOPBTF-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206300;MM206300;COC1=CC(C#N)CC1;JUUMPELUJQZSFT-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206301;MM206301;C=CC1C=C(CC)OC1;NBRZYGIPUFEGMV-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206302;MM206302;C=CC1C=C(CN)OC1;ANBSNFGKMLNSRE-UHFFFAOYSA-N;125.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206303;MM206303;C=CC1C=C(CO)OC1;BXKCLLJMGADSRT-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206304;MM206304;C=CC1C=C(CF)OC1;ZEZFGRAYRPOUOL-UHFFFAOYSA-N;128.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206305;MM206305;CCC1=CC(C=O)CO1;KSKVRZJZLTYOAN-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206306;MM206306;CCC1=CC(C#N)CO1;PICSEZZEVYCHJM-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206307;MM206307;O=CC1C=C(CO)OC1;UNBHJJRJHLTUHK-UHFFFAOYSA-N;128.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206308;MM206308;N#CC1C=C(CO)OC1;VSCQGKYWTOWKSS-UHFFFAOYSA-N;125.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206309;MM206309;O=CC1C=C(CF)OC1;VYOMYOGSJSNDDO-UHFFFAOYSA-N;130.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206310;MM206310;N#CC1C=C(CF)OC1;KDJQPQKYWLCPBH-UHFFFAOYSA-N;127.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206311;MM206311;C=CC1C=C(CC)CN1;UWNKERXHKFLDLA-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206312;MM206312;C=CC1C=C(CN)CN1;GDXLYAGUXUCFKD-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206313;MM206313;C=CC1C=C(CO)CN1;DZGQEXIZRAYHNX-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206314;MM206314;C=CC1C=C(CF)CN1;ZVBNJCCBRKFPMA-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206315;MM206315;CCC1=CC(C=O)NC1;AZXJPQZYTCYUMJ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206316;MM206316;CCC1=CC(C#N)NC1;HVDVBZWQRSTSAT-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206317;MM206317;NN=CCOC(CO)CO;RQTALDIJPZEPMR-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206318;MM206318;O=CC1C=C(CF)CN1;UFWUQDDDJNJDBP-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206319;MM206319;N#CC1C=C(CF)CN1;VSOLYQMMSYCDAT-UHFFFAOYSA-N;126.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206320;MM206320;C=CC1C=C(OC)CN1;HUKXBFJYIYXQRC-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206321;MM206321;COC1=CC(C#N)NC1;KBSKOWDRKYGGOA-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206322;MM206322;C=CC1C=C(CC)CO1;DSRVTPMEGYLHOL-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206323;MM206323;C=CC1C=C(CN)CO1;JBLDVTVZBRFTAD-UHFFFAOYSA-N;125.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206324;MM206324;C=CC1C=C(CO)CO1;PVOLGTPEJXPIDW-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206325;MM206325;C=CC1C=C(CF)CO1;FHQZJAONDUICNU-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206326;MM206326;CCC1=CC(C=O)OC1;RKPGYRASEKJPOS-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206327;MM206327;CCC1=CC(C#N)OC1;UOZQWODOCABMRW-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206328;MM206328;O=CC1C=C(CO)CO1;KKJBTCBVLNLOHJ-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206329;MM206329;N#CC1C=C(CO)CO1;JBJZNCXPWIIZLB-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206330;MM206330;O=CC1C=C(CF)CO1;POGMPBXVOISVAF-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206331;MM206331;N#CC1C=C(CF)CO1;WFFGPEFIWQBYHM-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206332;MM206332;C=CC1C=C(OC)CO1;BAKGJOMWJDOMHI-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206333;MM206333;COC1=CC(C=O)OC1;NSHQEXLPORVPEH-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206334;MM206334;COC1=CC(C#N)OC1;ZRPMVCGMPUGMBN-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206335;MM206335;C=CC1CNC(CO)=N1;JARLUPXQURDEJM-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206336;MM206336;C=CC1CNC(NC)=N1;APZIKYZXHAKIDW-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206337;MM206337;C=CC1CNC(NN)=N1;IGVVZDHWSGWXOS-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206338;MM206338;C=CC1CNC(NO)=N1;JIXMAGWTXYIKRG-UHFFFAOYSA-N;127.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206339;MM206339;CNC1=NC(C=O)CN1;CEPMFLSLYHYRMV-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206340;MM206340;O=CC1CNC(NO)=N1;IFXXHBFUCALUAZ-UHFFFAOYSA-N;129.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206341;MM206341;O=CC(CO)ON=CCO;JDOVSOUIALYDCS-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206342;MM206342;N#CC(=NC=CCO)NO;AAXVGXXLKOOBFU-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206343;MM206343;C#CC(=NN)N(O)CCO;TUXVQSMBTIZAFE-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206344;MM206344;C=CC1COC(NN)=N1;YYCUAYGZSOYNHQ-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206345;MM206345;NN=CNOC1(CO)CC1;ZUCRAQFYBTVUEU-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206346;MM206346;C#CCc1cc(C=C)n[nH]1;HEWNFKMACGGDOU-UHFFFAOYSA-N;132.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206347;MM206347;C=CCC1NC(C=C)C1=O;YXCCZLWBTCBZEY-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206348;MM206348;CNn1onc(CO)c1=N;TVTSZPZDLZDPLX-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206349;MM206349;N#CC1COC(NO)=N1;GAASHJDBZRDAFZ-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206350;MM206350;CCC1=CN(C=N)CC1;SMPLJSVEXRTLFS-UHFFFAOYSA-N;124.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206351;MM206351;N=CN1C=C(CN)CC1;JTVCDWZJSQRWOS-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206352;MM206352;N=CN1C=C(CO)CC1;SWIRKSFFWIHVRO-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206353;MM206353;N=CN1C=C(CF)CC1;VZBSSIDZBMBWDC-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206354;MM206354;CCC1=CN(C=O)CC1;PWGOTDPDEOHCSE-UHFFFAOYSA-N;125.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206355;MM206355;NCC1=CN(C=O)CC1;MHNPTGVMBDORFO-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206356;MM206356;O=CN1C=C(CO)CC1;WQOMZGFCTLMFPH-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206357;MM206357;O=CN1C=C(CF)CC1;IHEOCUZJMZYDHF-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206358;MM206358;COC1=CN(C=N)CC1;GUMNMJAIHGDMMI-UHFFFAOYSA-N;126.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206359;MM206359;COC1=CN(C=O)CC1;QUEGEVCBZCEOIN-UHFFFAOYSA-N;127.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206360;MM206360;CCC1=CN(C=N)NC1;DIOBRNNINKJDNQ-UHFFFAOYSA-N;125.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206361;MM206361;N=CN1C=C(CN)CN1;FNLDLAUYUVVYMO-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206362;MM206362;N=CN1C=C(CO)CN1;LIJHABYYSRJZMA-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206363;MM206363;N=CN1C=C(CF)CN1;RUJGRRUWXKICME-UHFFFAOYSA-N;129.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206364;MM206364;CCC1=CN(C=O)NC1;BISHKCOFYWTMAT-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206365;MM206365;NCC1=CN(C=O)NC1;SSOPNEPQXKRKLG-UHFFFAOYSA-N;127.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206366;MM206366;C#CC1NC1C(C#N)C=O;ZWDKFWMUPGNIIN-UHFFFAOYSA-N;134.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206367;MM206367;O=CN1C=C(CF)CN1;PZUQDSODPRTBQW-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206368;MM206368;COC1=CN(C=N)NC1;DXAYUFBACIAIHN-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206369;MM206369;COC1=CN(C=O)NC1;YTKBQMHWQVUOFH-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206370;MM206370;N=CN1C=C(CN)CO1;IUEDGPUDKJEINP-UHFFFAOYSA-N;127.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206371;MM206371;CCC1=CN(C=O)OC1;YFEPUHBJYGUARR-UHFFFAOYSA-N;127.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206372;MM206372;NCC1=CN(C=O)OC1;BICDYUBSEVZBIQ-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206373;MM206373;O=CN1C=C(CO)CO1;DYUGNILLQLFLAF-UHFFFAOYSA-N;129.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206374;MM206374;O=CN1C=C(CF)CO1;QFDPRRYQGLMURJ-UHFFFAOYSA-N;131.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206375;MM206375;COC1=CN(C=O)OC1;VIPPXZMABLWNLG-UHFFFAOYSA-N;129.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206376;MM206376;CCC1=NN(C=N)CC1;AAQIVNBEZCSDOY-UHFFFAOYSA-N;125.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206377;MM206377;C#CC1ON=C(C=C)NO1;VEQPZQWHWAETOB-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206378;MM206378;N=CN1CCC(CF)=N1;KOFPSCSRBWSFIV-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206379;MM206379;CCC1=NN(C=O)CC1;QEGQOCGXHJEDSO-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206380;MM206380;NCC1=NN(C=O)CC1;WWYGBQUSDGJRKQ-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206381;MM206381;COC(C#CC1CN1)CO;VNUBKQDNXSQQFM-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206382;MM206382;O=CN1CCC(CF)=N1;ZMGBZCIPQBVMNP-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206383;MM206383;COC1=NN(C=N)CC1;KOFOELUAVMMLOE-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206384;MM206384;COC1=NN(C=O)CC1;YXSFBMPTDUWHDN-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206385;MM206385;C=CC1=CC(C=C)CC1;CZBOAQQDIDKWAS-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206386;MM206386;C=CC1C=C(C=O)CC1;CORSLHRKOLQYJD-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206387;MM206387;C=CC1C=C(C#N)CC1;CUJRBSHZVSBYFX-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206388;MM206388;C=CC1=CC(C=O)CC1;JAYHHPGRDTZYFI-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206389;MM206389;C=CC1=CC(C#N)CC1;DQMQGLYWODUSPU-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206390;MM206390;O=CC1=CC(C=O)CC1;MHPLXVJNHXCXKO-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206391;MM206391;N#CC1C=C(C=O)CC1;JUUMVOQCZQRDJB-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206392;MM206392;N#CC1=CC(C=O)CC1;OTIOGILUEDOFKM-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206393;MM206393;N#CC1=CC(C#N)CC1;PHYFFWJVDADRAZ-UHFFFAOYSA-N;118.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206394;MM206394;C=CC1=CC(C=C)CO1;SFHOLTSRQNVXME-UHFFFAOYSA-N;122.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206395;MM206395;C=CC1C=C(C=O)OC1;MNWZTWAINRTHNC-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206396;MM206396;C=CC1C=C(C#N)OC1;UFXWNDQSJNUVMV-UHFFFAOYSA-N;121.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206397;MM206397;C=CC1=CC(C=O)CO1;OKTHBPVRVUZEQV-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206398;MM206398;C=CC1=CC(C#N)CO1;RLLOYWIMPAYEMY-UHFFFAOYSA-N;121.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206399;MM206399;O=CC1=CC(C=O)CO1;GKMDLBQFRDIODM-UHFFFAOYSA-N;126.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206400;MM206400;N#CC1C=C(C=O)OC1;ZJIBHMDEPDGACA-UHFFFAOYSA-N;123.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206401;MM206401;N#CC1=CC(C=O)CO1;QDEMUZQYCUDJTP-UHFFFAOYSA-N;123.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206402;MM206402;N#CC1=CC(C#N)CO1;GEZJOXONDYVGRO-UHFFFAOYSA-N;120.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206403;MM206403;C=CC1=CC(C=C)NC1;COULYSUOHTXXRE-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206404;MM206404;C=CC1C=C(C=O)CN1;VSYWYESLRVVNKO-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206405;MM206405;C=CC1=CC(C=O)NC1;KJLDUDLNISXGLF-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206406;MM206406;C=CC1=CC(C#N)NC1;BGYYOMJWLKGEMO-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206407;MM206407;N#CC1C=C(C=O)CN1;KOUXLHPVLANPSN-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206408;MM206408;C=NNC(C#N)CO;GKHRROGWSPWSCE-UHFFFAOYSA-N;113.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206409;MM206409;N#CC1=CC(C#N)NC1;HAYLWJLQCYSHQT-UHFFFAOYSA-N;119.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206410;MM206410;C=CC1=CC(C=C)OC1;RIBABVCKPTZNOL-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206411;MM206411;C=CC1C=C(C=O)CO1;SFDRTWBDNCLMPY-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206412;MM206412;C=CC1C=C(C#N)CO1;HJTADQALHIAPOI-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206413;MM206413;C=CC1=CC(C=O)OC1;JNUIDJLLXGHHPA-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206414;MM206414;C=CC1=CC(C#N)OC1;VRMKFNYXQKKLKU-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206415;MM206415;O=CC1=CC(C=O)OC1;GHRZSSFIMNWLJY-UHFFFAOYSA-N;126.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206416;MM206416;N#CC1C=C(C=O)CO1;QPVJPQUJVLAIRX-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206417;MM206417;N#CC1=CC(C=O)OC1;YDHCYOAUPZABCV-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206418;MM206418;N#CC1=CC(C#N)OC1;HBBFKBUDVZYJHV-UHFFFAOYSA-N;120.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206419;MM206419;C=CC1=CN(C=N)CC1;UNYFJZBMSOYYIZ-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206420;MM206420;N=CN1C=C(C=O)CC1;VDWNNRJGIBNIEJ-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206421;MM206421;N#CC1=CN(C=N)CC1;BANOADSKAKJSEQ-UHFFFAOYSA-N;121.14;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206422;MM206422;C=CC1=CN(C=O)CC1;IHCUPUHSYOVCLS-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206423;MM206423;O=CC1=CN(C=O)CC1;HOBRLWKIJUFQCS-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206424;MM206424;N#CC1=CN(C=O)CC1;DLBJNJPJIYVUCJ-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206425;MM206425;C=NN1C=C(C=O)CC1;ITGCIOWNVYBEGS-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206426;MM206426;C=NN1C=C(C#N)CC1;VCTBLZMVSQNHRF-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206427;MM206427;C=CC1=CN(C=N)NC1;KILXRQDYNXWZLC-UHFFFAOYSA-N;123.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206428;MM206428;N=CN1C=C(C=O)CN1;XVCVSXAUFHULPY-UHFFFAOYSA-N;125.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206429;MM206429;N#CC1=CN(C=N)NC1;NEMCMCQVNWOQGH-UHFFFAOYSA-N;122.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206430;MM206430;C=CC1=CN(C=O)NC1;SDVKLJHMXRWESO-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206431;MM206431;O=CC1=CN(C=O)NC1;RYGWHFLIFSRVBK-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206432;MM206432;N#CC1=CN(C=O)NC1;MWAYNQSQMRMQNB-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206433;MM206433;C=CC1=CN(C=O)OC1;DQDAEJWDQSWRAA-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206434;MM206434;O=CC1=CN(C=O)OC1;MZEYTLXMNFWRAV-UHFFFAOYSA-N;127.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206435;MM206435;N#CC1=CN(C=O)OC1;WCXVZLIGFROXTQ-UHFFFAOYSA-N;124.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206436;MM206436;C=CC1=NN(C=N)CC1;YBFMPBAHAAMTTE-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206437;MM206437;N=CN1CCC(C=O)=N1;BGVIDSJDMBIZKR-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206438;MM206438;N#CC1=NN(C=N)CC1;KSMDAVKPPLODEY-UHFFFAOYSA-N;122.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206439;MM206439;C=CC1=NN(C=O)CC1;QRAAKJKLDJXRGG-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206440;MM206440;O=CC1=NN(C=O)CC1;NDDQVTPNTPHAKG-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206441;MM206441;N#CC1=NN(C=O)CC1;FODXBBOHTRNQMM-UHFFFAOYSA-N;123.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206442;MM206442;C#CC1=CC(C=C)CC1;FZPCJMSWLUPSHL-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206443;MM206443;C#CC1=CC(C=O)CC1;FRUZKZSGOPWPAJ-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206444;MM206444;C#CC1=CC(C#N)CC1;QVNDZHGTTGVMSM-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206445;MM206445;C#CC1=CC(C=C)CO1;YCQZJEYYLTXAHR-UHFFFAOYSA-N;120.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206446;MM206446;C#CC1=CC(C=O)CO1;QRHNOXZCGLBVMV-UHFFFAOYSA-N;122.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206447;MM206447;C#CC1=CC(C#N)CO1;GAMLRHLTTQLTPK-UHFFFAOYSA-N;119.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206448;MM206448;C#CC1=CC(C=C)NC1;VBNHUCZRTGJIQM-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206449;MM206449;C#CC1=CC(C#N)NC1;SHZOISVXEYQESN-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206450;MM206450;C#CC1=CC(C=C)OC1;AHTBAPDSPXZSRJ-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206451;MM206451;C#CC1=CC(C=O)OC1;NMHZSQLDTZMTRI-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206452;MM206452;C#CC1=CC(C#N)OC1;IEISPPDDLHLHSX-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206453;MM206453;C#CC1=CN(C=N)CC1;VCARXUJPZWSEIC-UHFFFAOYSA-N;120.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206454;MM206454;C#CC1=CN(C=O)CC1;OXEYGRBZBIHOEP-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206455;MM206455;C#CC1=CN(C=N)NC1;KEFHWGLXEFOYML-UHFFFAOYSA-N;121.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206456;MM206456;C#CC1=CN(C=O)NC1;JVZZPTDONUTESP-UHFFFAOYSA-N;122.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206457;MM206457;C#CC1=CN(C=O)OC1;YNCVXKLZMWMQPG-UHFFFAOYSA-N;123.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206458;MM206458;C#CC1=NN(C=N)CC1;HJYCGGCVWSUYSW-UHFFFAOYSA-N;121.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206459;MM206459;C#CC1=NN(C=O)CC1;PBISPDVQOQYXJG-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206460;MM206460;C#CC1C=C(CC)CC1;KCFSQIBDLUDFHU-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206461;MM206461;C#CC1C=C(CN)CC1;RJCADVCFEAUPPN-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206462;MM206462;C#CC1C=C(CO)CC1;DJCMDQYESUDMTB-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206463;MM206463;C#CC1C=C(CF)CC1;DPYISRHAPDJBRH-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206464;MM206464;C#CC1C=C(OC)CC1;OMDRYDVSHLAYHD-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206465;MM206465;C#CC1C=C(CC)OC1;VUTIVONGFMOQLN-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206466;MM206466;C#CC1C=C(CN)OC1;BUNLWTVBZONDQA-UHFFFAOYSA-N;123.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206467;MM206467;C#CC1C=C(CO)OC1;KBQJQRPACRUGMJ-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206468;MM206468;C#CC1C=C(CF)OC1;ASUNKHHNHQLXPJ-UHFFFAOYSA-N;126.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206469;MM206469;C#CC1C=C(CC)CN1;YNPYMZIXODHDFC-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206470;MM206470;C#CC1C=C(CN)CN1;SURGSMBOKNPCMM-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206471;MM206471;C#CC1C=C(CO)CN1;NNSBMTVUMPSSCS-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206472;MM206472;C#CC1C=C(CF)CN1;KFFZVXWVTLNHEV-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206473;MM206473;C#CC1C=C(OC)CN1;OWYXMGNGRWEFGE-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206474;MM206474;C#CC1C=C(CC)CO1;COPRGYNVQHHZPA-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206475;MM206475;C#CC1C=C(CN)CO1;UUJBJNPMMQJRRZ-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206476;MM206476;C#CC1C=C(CO)CO1;ZUWRSNATWQSAFJ-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206477;MM206477;C#CC1C=C(CF)CO1;RTCHROPZEOXKFZ-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206478;MM206478;C#CC1C=C(OC)CO1;WCFSUEKRWPHRRP-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206479;MM206479;C#CC1CNC(NC)=N1;PZXJKUAYSVLRSS-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206480;MM206480;C#CC1CNC(NN)=N1;TVGIGJPVHQWMJY-UHFFFAOYSA-N;124.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206481;MM206481;C#CC1CNC(NO)=N1;GKYJBACTUGDVCX-UHFFFAOYSA-N;125.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206482;MM206482;C#CC1CNC(OC)=N1;VSXOVOJURKAVKI-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206483;MM206483;N=C(N)C(=O)OCC=O;DVFCKCPAJPWXCB-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206484;MM206484;CNN=CCC(F)CO;CASBCKDDNJQDJD-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206485;MM206485;C#CCN(O)C(=N)C#C;VNSZCNAVPJEGOH-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206486;MM206486;C#CC1C=C(C=C)CC1;YSYPISGOXMMNBG-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206487;MM206487;C#CC1C=C(C=O)CC1;ORPHAXFMNBDTGL-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206488;MM206488;C#CC1C=C(C#N)CC1;WBGCCKIBTKOTOP-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206489;MM206489;C#CC1C=C(C=C)OC1;FUPQAMNFNZZUSL-UHFFFAOYSA-N;120.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206490;MM206490;C#CC1C=C(C=O)OC1;GGBNVVTYTBVUBK-UHFFFAOYSA-N;122.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206491;MM206491;C#CC1C=C(C#N)OC1;YCQHHIBYNJTIDW-UHFFFAOYSA-N;119.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206492;MM206492;C#CC1C=C(C=C)CN1;GWRJDBYKMDIJJN-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206493;MM206493;C#CC1C=C(C=O)CN1;BQIGYARNCKLSKQ-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206494;MM206494;C#CC1C=C(C=C)CO1;ZKHGSKMLVVXRTE-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206495;MM206495;C#CC1C=C(C=O)CO1;LBKYDLDJLNKKKX-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206496;MM206496;C#CC1C=C(C#N)CO1;OXMNRPXNZSWFEY-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206497;MM206497;C#CC1=CC(C#C)CC1;VPGUATIVCSRADG-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206498;MM206498;C#CC1=CC(C#C)CO1;FPGYHLWUEBIPGI-UHFFFAOYSA-N;118.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206499;MM206499;C#CC1=CC(C#C)NC1;VWJRWNNCCVSPPJ-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206500;MM206500;C#CC1=CC(C#C)OC1;MGLQURLENZIBTE-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206501;MM206501;CC=C1C=C(CC)CC1;KDSLWRLTAVYOHG-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206502;MM206502;CC=C1C=C(CN)CC1;XWJMZKNHSJTHFZ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206503;MM206503;CC1C(O)CC(=O)N1N;RADRSNSVFQEPIA-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206504;MM206504;CC=C1C=C(CF)CC1;ZQUMTSDJNVPQER-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206505;MM206505;CCC1=CC(=CF)CC1;DZJCFZBWFHPHLA-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206506;MM206506;NCC1=CC(=CF)CC1;JJLSNPROVLEGSC-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206507;MM206507;Cn1c(=N)c(F)cn1O;LPMGBAFUUMCWGN-UHFFFAOYSA-N;131.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206508;MM206508;FC=C1C=C(CF)CC1;NVKMCVXHYZLMPY-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206509;MM206509;CC=C1C=C(OC)CC1;UYNQHDYSRBJRBI-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206510;MM206510;COC1=CC(=CF)CC1;GGBFHOCICZQQKV-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206511;MM206511;C=CC1NC(CC)C1=O;UGBAZEVTSMZYHU-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206512;MM206512;Cn1onc(CO)c1=N;FPXZVBYPUBTYFW-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206513;MM206513;N#CC1=C(N)C(O)CC1;PZBSUVXJPPNKAQ-UHFFFAOYSA-N;124.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206514;MM206514;CC=NNC(C#N)CO;JSMSWXMORYEAJA-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206515;MM206515;NCC1=CC(=NO)CC1;ZQZAITLUAIFQBI-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206516;MM206516;OCC1=CC(=NO)CC1;MRIPLIRSRIXGPM-UHFFFAOYSA-N;127.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206517;MM206517;ON=C1C=C(CF)CC1;QSBWQSQPAOSPEU-UHFFFAOYSA-N;129.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206518;MM206518;CN=C1C=C(NN)CC1;VNWCJZNLCUJJPO-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206519;MM206519;CN=C1C=C(NO)CC1;KQXDTXFUJLTZLW-UHFFFAOYSA-N;126.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206520;MM206520;CNc1ccc(C=O)[nH]1;OZJFNVLZENPZBS-UHFFFAOYSA-N;124.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206521;MM206521;COC1=CC(=NO)CC1;HFBCBGOQLNTJPW-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206522;MM206522;CC(C)(O)C=NN=CNO;IZAZQHFJOBDANA-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206523;MM206523;NCC1=CC(=NO)CN1;ZUIKCKDSEPWCLK-UHFFFAOYSA-N;127.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206524;MM206524;ON=C1C=C(CF)NC1;WWVQZCSVRSCXRJ-UHFFFAOYSA-N;130.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206525;MM206525;CN=C1C=C(NO)CN1;GFHKAJNLWDZFKL-UHFFFAOYSA-N;127.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206526;MM206526;C=CC(C)(O)C=CC=NN;KMMDFTKBWDRVQF-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206527;MM206527;CC=C1C=C(CC)OC1;WNZFBEATIWYWOT-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206528;MM206528;CC=C1C=C(CN)OC1;FLWCNPKCFXYVHR-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206529;MM206529;CC=C1C=C(CO)OC1;KTXKKSLCRTZOBC-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206530;MM206530;CC=C1C=C(CF)OC1;FUMALGHDDSZWPV-UHFFFAOYSA-N;128.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206531;MM206531;CCC1=CC(=CF)CO1;NXTKPFSNTGUFMA-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206532;MM206532;NCC1=CC(=CF)CO1;MQCDSGBMHDVJPW-UHFFFAOYSA-N;129.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206533;MM206533;OCC1=CC(=CF)CO1;VNWWRUCVUYUQGX-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206534;MM206534;FC=C1C=C(CF)OC1;DRPIHIBUGHFVMZ-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206535;MM206535;CCCN(N)C=NC(N)=O;LIEADBZKXLCEMG-UHFFFAOYSA-N;144.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206536;MM206536;CN(C)N(C)C=NC(N)=O;GOJYSYZURZNMAB-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206537;MM206537;CNN=C(C)CC(F)CO;PADGAMSQRDWMMJ-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206538;MM206538;CCC1=CC(=NO)CO1;XUMHTQVLCROPLA-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206539;MM206539;NCC1=CC(=NO)CO1;COWMPNVURKKLIY-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206540;MM206540;OCC1=CC(=NO)CO1;RPKBIIJRNXXGSL-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206541;MM206541;ON=C1C=C(CF)OC1;AOCKVOKEIKLVHI-UHFFFAOYSA-N;131.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206542;MM206542;C=CCN=CN(O)C=NC;YQSQGFNUKOLGQZ-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206543;MM206543;C#CCN(O)C(=N)C(N)=O;VPMVCRXEAZQYCB-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206544;MM206544;CCC1=CC(NC)=NC1;QFAPBFAQXFWVOX-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206545;MM206545;CN=C1C=C(CN)CN1;DRYNUSYVNFQMRS-UHFFFAOYSA-N;125.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206546;MM206546;CN=C1C=C(CO)CN1;LIGCZRPIWMVSQF-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206547;MM206547;CN=C1C=C(CF)CN1;HBQYHEBHNKIIGO-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206548;MM206548;CCC1=CC(=NN)NC1;GKQKNAROUBLVCK-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206549;MM206549;CNN=C(CCO)C(C)O;OQTDMLNFNZYNNT-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206550;MM206550;NCC1=CC(=NO)NC1;RMKGASIENUVFQB-UHFFFAOYSA-N;127.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206551;MM206551;CNN=C(CC=O)C(C)O;QOFNJLURAQDCLT-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206552;MM206552;CNC1=CC(NC)=NC1;IXHWWUHNQOLCQS-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206553;MM206553;C=CC(O)(CC)CC=NN;MVNWMAYSLCREJT-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206554;MM206554;CNC1=NCC(OC)=C1;OEVYGSPKBCFJGQ-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206555;MM206555;COC1=CC(=NO)NC1;RBCUKRQFMUVUKZ-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206556;MM206556;C#CC(CO)(CF)NN=C;HEVUZIFRSBSVAQ-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206557;MM206557;CNc1cc(CN)[nH]n1;RNRFNDPEXQBYRH-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206558;MM206558;CC(CO)NCC(=O)C#N;YQMNWKKGYWWWTE-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206559;MM206559;C#CC1NC(C)(C#C)C1=O;IRZZYRBUAWJYQG-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206560;MM206560;C=NN1CCC(O)(CC)C1;QSYKYWMKEJNDCS-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206561;MM206561;CC1(C#N)CN=C(CO)N1;UHOLARRFBPCVDU-UHFFFAOYSA-N;139.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206562;MM206562;COC(CC(F)CO)=NN;DFLHUQZOZJQNKF-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206563;MM206563;C#CC(CC(F)CO)=NN;OLINKVJOIGSVAN-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206564;MM206564;NCc1cc(NO)n[nH]1;RMOYBAQVDNQTCJ-UHFFFAOYSA-N;128.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206565;MM206565;C=NOCC(C)C(F)CO;SZKQCAYYLKGNDU-UHFFFAOYSA-N;149.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206566;MM206566;O=CON=CCC(F)CO;AHTZNVXSAYZKSR-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206567;MM206567;C=NOC(CO)C(=N)NO;RMIIBWJCWJVXSS-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206568;MM206568;C=NN(C(N)=O)C(C)C#N;QSDSLGJIRXEKDV-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206569;MM206569;CNc1cn(O)n(C)c1=O;CBMJQITUMGONDG-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206570;MM206570;N=c1nc(CO)c(=O)c1=O;UIENCIKNEFSRPA-UHFFFAOYSA-N;140.1;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206571;MM206571;CC(C)C(O)C1NC1CF;UJDHVSJLGPHYBB-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206572;MM206572;C=CC1NC1C(O)C(C)C;XUVXIDDAPBPBNB-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206573;MM206573;C=CC=NNC(C#N)CO;YROKXRYVLNYAJN-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206574;MM206574;CNc1cc(CO)on1;ZHRVRIBCSRFRHM-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206575;MM206575;NN=CN(O)C(CO)CO;NXMUWNWKAODCED-UHFFFAOYSA-N;149.15;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206576;MM206576;CC(O)C1=NN(C=N)CC1;BGOMKNFMGWRBLI-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206577;MM206577;CC(O)C1=NN(C=O)CC1;GSZRVGUFGLKCMO-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206578;MM206578;CN=c1c(F)cn(O)n1C;ZCXODDICGWRVOV-UHFFFAOYSA-N;145.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206579;MM206579;CCc1cc(NO)no1;DXSCHAOKCJUBRV-UHFFFAOYSA-N;128.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206580;MM206580;OCc1cc(NO)no1;ZUMKBXIAFBVJCX-UHFFFAOYSA-N;130.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206581;MM206581;ONc1cc(CF)on1;UHJRWWIPCVABOB-UHFFFAOYSA-N;132.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206582;MM206582;Cn1c(=NN)c(F)cn1O;RFHUCPRFAXJDNL-UHFFFAOYSA-N;146.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206583;MM206583;NN=c1cc(CO)on1N;AAVVIULJAIOKDS-UHFFFAOYSA-N;144.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206584;MM206584;CNc1cc(NO)no1;OUQQJNLZPLPKAS-UHFFFAOYSA-N;129.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206585;MM206585;N#CC12CC1NC(CO)=N2;IKMLGSYJXLJFHD-UHFFFAOYSA-N;137.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206586;MM206586;C#CC12CC1N=C(CO)N2;ATCMAXYMUIZJDZ-UHFFFAOYSA-N;136.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206587;MM206587;COc1cc(NO)no1;XGWLYIXRTCQHIX-UHFFFAOYSA-N;130.1;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206588;MM206588;CC=C1C=C(CC)CO1;FNTNAEDJBOWOHA-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206589;MM206589;CC=C1C=C(CN)CO1;AHNYXRRMEPAXLJ-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206590;MM206590;CC=C1C=C(CO)CO1;HHMJPXMMCWRVPX-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206591;MM206591;CC=C1C=C(CF)CO1;BAOAMZCFYIWFRA-UHFFFAOYSA-N;128.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206592;MM206592;CCC1=CC(=CF)OC1;RGNAJPVGZDPNDO-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206593;MM206593;NCC1=CC(=CF)OC1;KTBQXQLWOURNMA-UHFFFAOYSA-N;129.13;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206594;MM206594;OCC1=CC(=CF)OC1;ZGSSKKLLRCHMKT-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206595;MM206595;FC=C1C=C(CF)CO1;IDVJJTCNYDAPSG-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206596;MM206596;CC=C1C=C(OC)CO1;VXBAPBOJLXANIZ-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206597;MM206597;COC1=CC(=CF)OC1;ZRCREZHIEAGBKY-UHFFFAOYSA-N;130.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206598;MM206598;CCn1onc(NO)c1=N;BXACAZQNOVPIEL-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206599;MM206599;CCn1onc(CO)c1=N;RRLACMGUJLYJOI-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206600;MM206600;C=Cn1onc(CO)c1=N;PACCGLDZZFVMGT-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206601;MM206601;CCC1=CC(=NO)OC1;WEOODNKGECKXCC-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206602;MM206602;NCC1=CC(=NO)OC1;LLFAFLVRLXETPR-UHFFFAOYSA-N;128.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206603;MM206603;OCC1=CC(=NO)OC1;CFPFMFGPNAHASJ-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206604;MM206604;ON=C1C=C(CF)CO1;FPLAZIDZQSYDEW-UHFFFAOYSA-N;131.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206605;MM206605;N=Cn1onc(CO)c1=N;WRDXWZSDUCGUDF-UHFFFAOYSA-N;142.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206606;MM206606;Nn1c(CO)ccc1CO;HPKNNVMTBIAWTA-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206607;MM206607;C=Cc1[nH]nc(C#N)c1C;MNYMSNVQDSRQTR-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206608;MM206608;COC1=CC(=NO)OC1;HPKVQXGCSIHIDP-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206609;MM206609;OCC1=NN=C(NO)CC1;BTUJTMUNQSAWQG-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206610;MM206610;NN=c1cc(CO)[nH]o1;QWIQQERNUCPYLR-UHFFFAOYSA-N;129.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206611;MM206611;NN=c1cc(CF)[nH]o1;KWRYMZCBNZNLDJ-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206612;MM206612;CCc1cc(=NO)o[nH]1;FPGICGQPAIHOBO-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206613;MM206613;NCc1cc(=NO)o[nH]1;HWFHUUKPNFUXAA-UHFFFAOYSA-N;129.12;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206614;MM206614;OCc1cc(=NO)o[nH]1;HPGPMUSUFKLMHD-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206615;MM206615;N=C1CN(N)C=N1;HBFZYVCQLIFPPE-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206616;MM206616;CNc1cc(=NO)o[nH]1;RRTRWFQHWBHPKD-UHFFFAOYSA-N;129.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206617;MM206617;COc1cc(=NO)o[nH]1;BYXZFJNTQBCDQY-UHFFFAOYSA-N;130.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206618;MM206618;CC(C)C=NOC(N)=O;ZVIYTHIXIJASHB-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206619;MM206619;CN=C1CNC(NC)=N1;SADZUNNGMKCDLP-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206620;MM206620;CN=C1CNC(NN)=N1;UJUKHXYALAOEOR-UHFFFAOYSA-N;127.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206621;MM206621;CNC1=NC(=NN)CN1;XUMCIHVFSSYPMG-UHFFFAOYSA-N;127.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206622;MM206622;NN=C1CNC(NN)=N1;GJJOHIKHPAVNOC-UHFFFAOYSA-N;128.14;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206623;MM206623;CNC1=NC(=NO)CN1;GKJTVEXWFJROAL-UHFFFAOYSA-N;128.14;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206624;MM206624;CCCC=NOC(N)=O;ORNSPFMZIPAABS-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206625;MM206625;CNCC(=O)OCC=O;ZXOBQCRBSXIQIO-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206626;MM206626;COC1=NC(=NO)CN1;LNEWTVOYRQIDEH-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206627;MM206627;C=NNCCC(F)CO;YFHPZUUQRIFART-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206628;MM206628;O=CC(=O)CNCCF;JEAPVBFVJOUOCO-UHFFFAOYSA-N;133.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206629;MM206629;CCCC(=NN)C(C)O;JCHHTGKWQNIBEG-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206630;MM206630;Nn1cc(CO)oc1=O;LYCXVXCAHRGFSO-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206631;MM206631;CC(O)C1=NN(C)CC1;LDSOUTSKTGCNIO-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206632;MM206632;C#CC(N)=C(C#N)CO;PTFZFJAVKNCRLN-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206633;MM206633;CNC1=NC(=NO)CO1;IHXMGLUNWXXDLL-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206634;MM206634;OCC(F)CCN1CC1;YCGXLZDWOGBFJJ-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206635;MM206635;ON=C1COC(NO)=N1;PXZJEVZVPFRRCS-UHFFFAOYSA-N;131.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206636;MM206636;CN=c1nc(NC)[nH]o1;YWAJGKNMIXPIQK-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206637;MM206637;CNc1nc(=NN)o[nH]1;QSNCRZGHVUMZQT-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206638;MM206638;CCCC(O)CCC(=O)O;MYCCAWPBMVOJQF-UHFFFAOYSA-N;146.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206639;MM206639;CCC(CC(=O)O)C(C)O;IWLAQAIFGUISOF-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206640;MM206640;CC(CCCO)CC(=O)O;ICELWQDCXZXRBH-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206641;MM206641;C=CC1=CC(=CC)CC1;KWZFOEBHLJDCTO-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206642;MM206642;CC=C1C=C(C=O)CC1;FDERZPZSSODCSO-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206643;MM206643;CC=C1C=C(C#N)CC1;CKFWRHSXHSTKFV-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206644;MM206644;C=CC1=CC(=CF)CC1;QUZHABQNNQQGDD-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206645;MM206645;O=CC1=CC(=CF)CC1;PEBNPUPBTBQRFX-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206646;MM206646;N#CC1=CC(=CF)CC1;KBYHFQVQQWOCHF-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206647;MM206647;OCC12CCC(O)C1N2;WJDXIFSZILTDNV-UHFFFAOYSA-N;129.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206648;MM206648;N#CC#Cc1cn[nH]c1;ZNTSKFVUZVVTOL-UHFFFAOYSA-N;117.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206649;MM206649;O=CC1=CC(=NO)CC1;MGQZCEZIXSPTOZ-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206650;MM206650;N#CC1=CC(=NO)CC1;BYRQOIQTCVLJPU-UHFFFAOYSA-N;122.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206651;MM206651;CC(=NN(C)C=O)C(C)O;LZMUMKDCNAENBB-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206652;MM206652;O=CC1=CC(=NO)CN1;ZAYSMXZNEVMKRA-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206653;MM206653;N#CC1=CC(=NO)CN1;KOBCBLKRWNOHPS-UHFFFAOYSA-N;123.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206654;MM206654;C=CC1=CC(=CC)CO1;KYPNVRHICYIIGO-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206655;MM206655;CC=C1C=C(C=O)OC1;BECYGMJXPFAVIG-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206656;MM206656;CC=C1C=C(C#N)OC1;XKPRSUHTVGTJOZ-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206657;MM206657;C=CC1=CC(=CF)CO1;VBAYUKVMVRBZSB-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206658;MM206658;O=CC1=CC(=CF)CO1;FFLCYPIZAJKOSM-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206659;MM206659;N#CC1=CC(=CF)CO1;KUNSCEKDVMTNRP-UHFFFAOYSA-N;125.1;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206660;MM206660;C=C1CC(=NN)CC1(C)O;DUWXOGAZDNWINB-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206661;MM206661;C=CC1=CC(=NO)CO1;UVCAVTYZZAPCAI-UHFFFAOYSA-N;125.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206662;MM206662;O=CC1=CC(=NO)CO1;ZFQDBYZMOOOLRP-UHFFFAOYSA-N;127.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206663;MM206663;N#CC1=CC(=NO)CO1;HIGHXSQHZCSTII-UHFFFAOYSA-N;124.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206664;MM206664;C=CC1=CC(=NC)NC1;RGJPQXXTMIJDCG-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206665;MM206665;CN=C1C=C(C=O)CN1;FDBLSKWRSFODLA-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206666;MM206666;CN=C1C=C(C#N)CN1;WFUOSPWRJWKHMR-UHFFFAOYSA-N;121.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206667;MM206667;CN1CC1(C)CC(F)CO;YFPCSDPLXZJCLD-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206668;MM206668;O=CC1=CC(=NO)NC1;ZZPJNGMPGTWZRC-UHFFFAOYSA-N;126.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206669;MM206669;N#CC1=CC(=NO)NC1;YSSXVHVKXLPCEF-UHFFFAOYSA-N;123.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206670;MM206670;NN=CC(F)CC(F)CO;ZRNCZRJPLBPRBY-UHFFFAOYSA-N;152.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206671;MM206671;C#CC(=N)N(O)CC(N)=O;ZERRANLRNHUQGZ-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206672;MM206672;C=CN(O)C(=N)C=C(F)F;VQIONHVWLKMTJH-UHFFFAOYSA-N;148.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206673;MM206673;C=CCC(O)CON=CC;LNGWKGKOTWWUSE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206674;MM206674;CNN=C(CCF)C(C)O;HJFBWNSJEFKFBY-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206675;MM206675;O=Cc1cc(NO)n[nH]1;KPLXAGDOZYDASJ-UHFFFAOYSA-N;127.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206676;MM206676;N#Cc1cc(NO)n[nH]1;OLTWKXUMJJGPQC-UHFFFAOYSA-N;124.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206677;MM206677;CC(=N)N(OC=O)C(N)=O;BPBXQQMGFXRDSU-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206678;MM206678;CC(CO)=NN=C(C)NO;NJWYJBLYRIGLKH-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206679;MM206679;CNC(C#N)CC(F)CO;STDUXJHSBDMWQX-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206680;MM206680;CC(O)CNC(C#N)CO;PWYHLEPQLKUWCN-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206681;MM206681;C=Cc1cc(NO)no1;DZVVDPONGHIOSX-UHFFFAOYSA-N;126.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206682;MM206682;O=Cc1cc(NO)no1;MVEXNADZMOCNCQ-UHFFFAOYSA-N;128.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206683;MM206683;N#Cc1cc(NO)no1;FFVLMRQLHXMFJH-UHFFFAOYSA-N;125.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206684;MM206684;C=CC1=CC(=CC)OC1;ZYEZOKIVWXSEAZ-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206685;MM206685;CC=C1C=C(C=O)CO1;BUZVBVMYPLIRHK-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206686;MM206686;CC=C1C=C(C#N)CO1;BGUSRMDBJDWXMB-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206687;MM206687;C=CC1=CC(=CF)OC1;FDSWAAPWVHZMSE-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206688;MM206688;O=CC1=CC(=CF)OC1;CEEDNAZVZLLIIL-UHFFFAOYSA-N;128.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206689;MM206689;N#CC1=CC(=CF)OC1;DDYHLVMRTOOGGN-UHFFFAOYSA-N;125.1;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206690;MM206690;N#CC(CO)NCC(N)=O;MOBXLVBMCXJFBI-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206691;MM206691;C=CC1=CC(=NO)OC1;LLTFYMIAZXVKKD-UHFFFAOYSA-N;125.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206692;MM206692;O=CC1=CC(=NO)OC1;AHRRLMUOAJXBSF-UHFFFAOYSA-N;127.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206693;MM206693;N#CC1=CC(=NO)OC1;SXDPHVBJYYNLJI-UHFFFAOYSA-N;124.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206694;MM206694;O=CC1(CC(F)CO)CN1;QYPGCDIUMSOTAW-UHFFFAOYSA-N;147.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206695;MM206695;C=Cc1cc(=NO)o[nH]1;FTRHONJSZVAWLR-UHFFFAOYSA-N;126.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206696;MM206696;O=C(O)CCCCCCO;PNAJBOZYCFSQDJ-UHFFFAOYSA-N;146.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206697;MM206697;CC(CO)CCCC(=O)O;IUTYINVUSMFSCH-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206698;MM206698;C#CC1=CC(=CC)CC1;BKXAAPVVSGHWEQ-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206699;MM206699;C#CC1=CC(=CF)CC1;ZTNLHAJVXMJDRB-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206700;MM206700;N#CC1(CC(F)CO)CN1;GSLDOVKHGICLPQ-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206701;MM206701;C#CC1=CC(=NO)CC1;BRIYGJINRQXVID-UHFFFAOYSA-N;121.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206702;MM206702;C#CC1(CC(F)CO)CN1;XSMYIHHFIZHZLF-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206703;MM206703;C#CC1=CC(=CC)CO1;FFVULCYMFPNEQJ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206704;MM206704;C#CC1=CC(=CF)CO1;FBOKQZUZRWHAGR-UHFFFAOYSA-N;124.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206705;MM206705;CCN(O)C(=N)C#CC=O;OUWKTULGKXQLIT-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206706;MM206706;C#CC1=CC(=NO)CO1;ATNWKBBSXBYKSX-UHFFFAOYSA-N;123.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206707;MM206707;C#CC1=CC(=NC)NC1;LDGMMNDJPGYSAO-UHFFFAOYSA-N;120.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206708;MM206708;C#CC1=CC(=NO)NC1;LNQFUJQDEZBBGI-UHFFFAOYSA-N;122.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206709;MM206709;NN=COCCC(F)CO;RWLXPEZFHGNGTF-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206710;MM206710;CC=NOCCC(F)CO;OWGTUZUSQDYFRV-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206711;MM206711;C#CC(=O)NCCC=NN;OXYIGYHQBCXNOK-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206712;MM206712;CC1(C(=O)OCC=O)CN1;JCKLYSAOPKKZHQ-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206713;MM206713;CNN=C(C=O)C(C)C=O;CBYQJAHZSVHKHD-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206714;MM206714;C#Cc1cc(NO)no1;CMKMIMKPFJWHLR-UHFFFAOYSA-N;124.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206715;MM206715;C#CC1=CC(=CC)OC1;URQLIRPMINBXAE-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206716;MM206716;C#CC1=CC(=CF)OC1;FRNSQZVFBBTIGF-UHFFFAOYSA-N;124.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206717;MM206717;CC(O)C(C=O)N(O)C=N;ZPCQIVVHNQUEOT-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206718;MM206718;C#CC1=CC(=NO)OC1;QQGMCOVPEIPMNZ-UHFFFAOYSA-N;123.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206719;MM206719;C#Cc1cc(=NN)o[nH]1;YTONPQHBBOYDDN-UHFFFAOYSA-N;123.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206720;MM206720;CCC1=CC(CC)C=C1;KWLFXBLWZYWARS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206721;MM206721;CCC1C=CC(CN)=C1;HUXBYYQHFDUUQY-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206722;MM206722;CCC1C=CC(CO)=C1;RVGYHTBUBYLKLK-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206723;MM206723;CCC1C=CC(CF)=C1;ITTNPFUTZQQOJH-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206724;MM206724;CCC1=CC(CN)C=C1;ZELSCORZGHQWKK-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206725;MM206725;NCC1=CC(CN)C=C1;MRASEXATOSDQML-UHFFFAOYSA-N;124.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206726;MM206726;NCC1C=CC(CO)=C1;JQWYSZPSTFUZAY-UHFFFAOYSA-N;125.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206727;MM206727;NCC1C=CC(CF)=C1;GQOFUMVEOCAMAE-UHFFFAOYSA-N;127.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206728;MM206728;CCC1=CC(CO)C=C1;CSKXACNKSHJRHH-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206729;MM206729;NCC1=CC(CO)C=C1;YTQFBHXKNLULSW-UHFFFAOYSA-N;125.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206730;MM206730;OCC1=CC(CO)C=C1;SRHXKLVXIHKDCW-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206731;MM206731;OCC1C=CC(CF)=C1;GNFJWHJBSJNMIY-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206732;MM206732;CCC1=CC(CF)C=C1;VDKVISLCIQGYJJ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206733;MM206733;NCC1=CC(CF)C=C1;JUKVZVATFKDBNO-UHFFFAOYSA-N;127.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206734;MM206734;OCC1=CC(CF)C=C1;PWFDSGNHLBOGTL-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206735;MM206735;FCC1=CC(CF)C=C1;LGBMRXJUYSPJBX-UHFFFAOYSA-N;130.14;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206736;MM206736;CCC1C=CC(OC)=C1;FXCWASUMCFMJHU-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206737;MM206737;COC1=CC(CN)C=C1;NMJDBEPSPMWJQX-UHFFFAOYSA-N;125.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206738;MM206738;COC1=CC(CO)C=C1;YSJKJXJGNBVFCU-UHFFFAOYSA-N;126.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206739;MM206739;COC1=CC(CF)C=C1;XZXPVWDMWZYAMN-UHFFFAOYSA-N;128.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206740;MM206740;CCC1=CC(NC)C=C1;ZUVYAJWXQGLZAE-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206741;MM206741;CNC1C=CC(CN)=C1;AUYXEEKKBZIRKN-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206742;MM206742;CNC1C=CC(CO)=C1;TYOSNQBZUSGBOX-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206743;MM206743;CNC1C=CC(CF)=C1;SEPIMXOGSOWKMV-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206744;MM206744;CNC1C=CC(OC)=C1;PAXLDAYTZXRATP-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206745;MM206745;CCC1=CC(OC)C=C1;RZZALPIKWIKCFP-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206746;MM206746;COC1C=CC(CN)=C1;KPVDGZGYPJVXPU-UHFFFAOYSA-N;125.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206747;MM206747;COC1C=CC(CO)=C1;MSVAAXWNTRMLFB-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206748;MM206748;COC1C=CC(CF)=C1;ZQVOGAFVLUCLHC-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206749;MM206749;COC1=CC(OC)C=C1;CIRZRMKNQQQXOZ-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206750;MM206750;CCNN=C(CC)C(C)O;CBXMCMXAKWBGBW-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206751;MM206751;CC1C(CC(F)CO)N1C;PWHQBIRUBJFOGP-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206752;MM206752;CCc1ccn(CC)c1;OCANJUOZLPHZOQ-UHFFFAOYSA-N;123.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206753;MM206753;CCn1ccc(CN)c1;VWYWRMVYZDEIPA-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206754;MM206754;CCn1ccc(CO)c1;DRBTXCQVJHMYNQ-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206755;MM206755;CCn1ccc(CF)c1;PHGJHPTYCPUHMY-UHFFFAOYSA-N;127.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206756;MM206756;CCn1ccc(NC)c1;TYYSTXCNUGRFJN-UHFFFAOYSA-N;124.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206757;MM206757;CCn1ccc(OC)c1;SHCKLSALPZIKGP-UHFFFAOYSA-N;125.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206758;MM206758;CCc1ccn(NC)c1;USYQSTKUZPUYQF-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206759;MM206759;CNn1ccc(CN)c1;IBXXTEQYVGHDBI-UHFFFAOYSA-N;125.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206760;MM206760;CN=C1C=CC(C(C)O)=N1;BVHNFUOFHJQUGC-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206761;MM206761;CNn1ccc(CF)c1;KWIKOWPZZRZLGJ-UHFFFAOYSA-N;128.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206762;MM206762;CNc1ccn(NC)c1;NCQXXVRTDHWOSP-UHFFFAOYSA-N;125.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206763;MM206763;CNn1ccc(OC)c1;OZWZIEPPILGDDR-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206764;MM206764;CCc1ccn(OC)c1;BTQLHQDRJCISHE-UHFFFAOYSA-N;125.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206765;MM206765;COn1ccc(CN)c1;DKBUWWTWCWKKFG-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206766;MM206766;COn1ccc(CO)c1;WGYUIEBPFVEJIO-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206767;MM206767;COn1ccc(CF)c1;WRCDIJXLMFZRRM-UHFFFAOYSA-N;129.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206768;MM206768;CNc1ccn(OC)c1;MIALQKNVLKJQOZ-UHFFFAOYSA-N;126.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206769;MM206769;COc1ccn(OC)c1;OUBBQANOGMEDFG-UHFFFAOYSA-N;127.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206770;MM206770;CCc1cn(CC)cn1;FNOZYFSGNFPIIH-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206771;MM206771;N#CC1NC1CC(F)CO;DMFPFIMFGJPUNO-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206772;MM206772;CCn1cnc(CF)c1;MZGLLWHBOCMDBN-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206773;MM206773;CCn1cnc(NC)c1;PIEKPBKMYWAUTH-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206774;MM206774;CCn1cnc(OC)c1;MPKFQALBMQDTIF-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206775;MM206775;CCc1cn(NC)cn1;YWSZFFUUZJLSJQ-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206776;MM206776;Cn1oc(CO)cc1=NN;VAGAXKINMVJPQY-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206777;MM206777;CNn1cnc(CF)c1;QZPBDYJRHMTCTG-UHFFFAOYSA-N;129.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206778;MM206778;CNc1cn(NC)cn1;FCMLUGNKXLVPIP-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206779;MM206779;CNn1cnc(OC)c1;WESBNLHYTBYRCB-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206780;MM206780;CCc1cn(OC)cn1;GFZZMGZYWUDXCC-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206781;MM206781;C#Cc1[nH]nc(OC)c1C;UPPJZJVNCAJLLT-UHFFFAOYSA-N;136.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206782;MM206782;COn1cnc(CF)c1;PERKKVPBPIEDSQ-UHFFFAOYSA-N;130.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206783;MM206783;CNc1cn(OC)cn1;NWOGSTRSJFWXKT-UHFFFAOYSA-N;127.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206784;MM206784;COc1cn(OC)cn1;QBEWODPIRQJQRT-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206785;MM206785;CCc1cnn(CC)c1;UCCYKZGOGQZMMX-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206786;MM206786;CCn1cc(CN)cn1;MIAQYVFWXDEYAK-UHFFFAOYSA-N;125.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206787;MM206787;NN=COCC=CNC=O;AZRIMWMTCFSBTO-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206788;MM206788;CCn1cc(CF)cn1;YUPAQJFHMBWLAY-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206789;MM206789;CCn1cc(NC)cn1;IHOYUFHPGKNPEJ-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206790;MM206790;CCn1cc(OC)cn1;CALDDFFOVQNPDQ-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206791;MM206791;CCc1cnn(NC)c1;KKGKYRNKDKZQPP-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206792;MM206792;CNn1cc(CN)cn1;ACVPGTDJFZFXOQ-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206793;MM206793;CC(=NN(C)C)C(C)O;HLRBNRVITOKONE-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206794;MM206794;CNn1cc(CF)cn1;OPPTVFUDKQMRQJ-UHFFFAOYSA-N;129.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206795;MM206795;CNc1cnn(NC)c1;GYAHCULNGSMXPB-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206796;MM206796;CNn1cc(OC)cn1;UXMJOOWTSAPIAC-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206797;MM206797;CCc1cnn(OC)c1;LOXCVYYZVQNXFS-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206798;MM206798;COn1cc(CN)cn1;CVGHXVWKYZFPEA-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206799;MM206799;COn1cc(CO)cn1;CKMCTHHLDDWUON-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206800;MM206800;COn1cc(CF)cn1;LJKNDKWZUSKPOV-UHFFFAOYSA-N;130.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206801;MM206801;CNc1cnn(OC)c1;MOLZFBWAFGYGMW-UHFFFAOYSA-N;127.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206802;MM206802;COc1cnn(OC)c1;CMWOGYZHVKRPMS-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206803;MM206803;CCc1cn(CC)nn1;FEXQLBQZXVUIGR-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206804;MM206804;CCn1cc(CO)nn1;RRWWLNDIWCIGBL-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206805;MM206805;CCn1cc(CF)nn1;LDZKTDPQHJBCFH-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206806;MM206806;C#CC1NC(C)(C)C1=O;CIAGQIGSUVFZKL-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206807;MM206807;CCn1cc(OC)nn1;HGOWBACCIXRWBI-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206808;MM206808;CCc1cn(NC)nn1;XGFQLIDOTJYGOM-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206809;MM206809;CC1(CO)CN(O)C=N1;IRABRTVKPIWPMV-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206810;MM206810;CNn1cc(CF)nn1;KVGXIUSUTZVLID-UHFFFAOYSA-N;130.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206811;MM206811;C=C(C)N=C(C#N)NO;YVBPXMGNPKNEIP-UHFFFAOYSA-N;125.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206812;MM206812;CNn1cc(OC)nn1;HVHYSQGRLXGEBI-UHFFFAOYSA-N;128.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206813;MM206813;CCc1cn(OC)nn1;ABGTZWMFMWPPCM-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206814;MM206814;COn1cc(CO)nn1;CJAMIMKMMKHHOY-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206815;MM206815;COn1cc(CF)nn1;PXBMSLDDTIXTOC-UHFFFAOYSA-N;131.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206816;MM206816;CC(=NN1CC1)C(C)O;ASZLMSLJUJEDMZ-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206817;MM206817;COc1cn(OC)nn1;AZDCDPKLAKJBML-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206818;MM206818;CCc1ccn(CC)n1;MARPBYIVZUKMRU-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206819;MM206819;C=CC(C)(O)C(C)C=NN;BJCDVMYBEURQRD-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206820;MM206820;CCn1ccc(CF)n1;FNWTVOGTOZJJAQ-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206821;MM206821;CCn1ccc(OC)n1;MCONUPOUXFBSMP-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206822;MM206822;CCc1ccn(NC)n1;GMZLQMVONMOJBT-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206823;MM206823;CCN=C(NO)OC(N)=O;ZSNFFRBHDFSYLN-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206824;MM206824;CNn1ccc(CF)n1;SGDQYTPHXZCPCH-UHFFFAOYSA-N;129.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206825;MM206825;CNn1ccc(OC)n1;WBHIXLAALZPXTP-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206826;MM206826;CCc1ccn(OC)n1;HZLXIYGTOCDROI-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206827;MM206827;COn1ccc(CO)n1;UKOPNRINFJUCLN-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206828;MM206828;COn1ccc(CF)n1;LYVMSQTYVBQWRW-UHFFFAOYSA-N;130.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206829;MM206829;COc1ccn(OC)n1;PAGZWXITXGCQRK-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206830;MM206830;CCc1ncn(CC)n1;NDHZVNYIZUJFGY-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206831;MM206831;CCn1cnc(CO)n1;FAGMHKIJASRQSE-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206832;MM206832;CCn1cnc(CF)n1;DQDJWSJCMBHFEL-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206833;MM206833;CC(=O)ON(C=N)C(N)=O;CMIBAWNFYKXRMK-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206834;MM206834;CCn1cnc(OC)n1;ITZDMLHWVXGDNG-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206835;MM206835;CCc1ncn(NC)n1;LAOMBMGIZISELV-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206836;MM206836;CNn1cnc(CO)n1;TXXHDDJHXYCZLG-UHFFFAOYSA-N;128.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206837;MM206837;CNn1cnc(CF)n1;SWXCKWKVJDIKGY-UHFFFAOYSA-N;130.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206838;MM206838;C=CNC(=O)C=CC=NN;IREDKXZQJOPGOO-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206839;MM206839;CNn1cnc(OC)n1;GJUCHZPRBKSJQF-UHFFFAOYSA-N;128.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206840;MM206840;CCc1ncn(OC)n1;SLWLBRUCYFBHHQ-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206841;MM206841;COn1cnc(CO)n1;XVVPCSAZNKFXLR-UHFFFAOYSA-N;129.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206842;MM206842;COn1cnc(CF)n1;BOFOHRIIMBTIRY-UHFFFAOYSA-N;131.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206843;MM206843;CNc1ncn(OC)n1;AMHQIEAXHBHSHA-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206844;MM206844;COc1ncn(OC)n1;MEUNIIYODDDJLC-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206845;MM206845;CCc1cnn(CC)n1;ZMLIXCVGVQJFDS-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206846;MM206846;CCn1ncc(CO)n1;DYMLSMNRTGELQI-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206847;MM206847;CCn1ncc(CF)n1;MLWQWVGHTRWKLR-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206848;MM206848;CCn1ncc(OC)n1;MKTKFFOPWIZKIG-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206849;MM206849;CCc1nnn(CC)n1;MRTHIBSYBORMSI-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206850;MM206850;CCn1nnc(CO)n1;LMKXAWPUZDGLEC-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206851;MM206851;CCn1nnc(CF)n1;HAIPMTYBMRVNFA-UHFFFAOYSA-N;130.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206852;MM206852;CCn1nnc(NC)n1;DYZRMMDIOUDGRD-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206853;MM206853;CCn1nnc(OC)n1;RWLQDWDWGKSXIT-UHFFFAOYSA-N;128.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206854;MM206854;C=CC1=CC(CC)C=C1;PRLXBKKBJNYQCP-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206855;MM206855;CCC1C=CC(C=O)=C1;UCTAEPQVJZYRNL-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206856;MM206856;CCC1C=CC(C#N)=C1;ICGFFWIAWMUPJJ-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206857;MM206857;C=CC1=CC(CN)C=C1;LLBZNARVTQBVSB-UHFFFAOYSA-N;121.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206858;MM206858;C=CC1=CC(CO)C=C1;NUJVPQBDTAMTCK-UHFFFAOYSA-N;122.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206859;MM206859;O=CC1=CC(CO)C=C1;YEKNMFAKLDNRJY-UHFFFAOYSA-N;124.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206860;MM206860;N#CC1=CC(CO)C=C1;HQJFXSXKEIUWFF-UHFFFAOYSA-N;121.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206861;MM206861;C=CC1=CC(CF)C=C1;ZKANEORNADPJBK-UHFFFAOYSA-N;124.16;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206862;MM206862;O=CC1=CC(CF)C=C1;HUYFELUXYCXIJU-UHFFFAOYSA-N;126.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206863;MM206863;N#CC1=CC(CF)C=C1;ISDQQTPTAUCVKM-UHFFFAOYSA-N;123.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206864;MM206864;C=CC1=CC(NC)C=C1;JBLQYBUHTWVSDL-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206865;MM206865;CNC1C=CC(C=O)=C1;VPBVQTCDMFZFIQ-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206866;MM206866;C=CC1=CC(OC)C=C1;SPALRLTUYRNAOC-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206867;MM206867;COC1C=CC(C=O)=C1;LGDUZIGBIPSHKN-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206868;MM206868;COC1C=CC(C#N)=C1;OUUUDQMLCGUIFA-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206869;MM206869;C=Cc1ccn(CC)c1;UKMAIAAHOUYDOM-UHFFFAOYSA-N;121.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206870;MM206870;CCn1ccc(C=O)c1;GGXYAXMVAZMDBE-UHFFFAOYSA-N;123.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206871;MM206871;CCn1ccc(C#N)c1;JWACULPGAGVTLA-UHFFFAOYSA-N;120.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206872;MM206872;C=Cc1ccn(NC)c1;PDORHOJVYMEPFO-UHFFFAOYSA-N;122.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206873;MM206873;CNn1ccc(C=O)c1;DCFJVWAAIWSLMW-UHFFFAOYSA-N;124.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206874;MM206874;CNn1ccc(C#N)c1;BCCWXMMPDRQXDU-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206875;MM206875;C=Cc1ccn(OC)c1;ARCFJBXKMBPVQP-UHFFFAOYSA-N;123.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206876;MM206876;COn1ccc(C=O)c1;RAHKXZRANMQUJE-UHFFFAOYSA-N;125.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206877;MM206877;COn1ccc(C#N)c1;CVMSROLXSYFQCE-UHFFFAOYSA-N;122.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206878;MM206878;C=Cc1cn(CC)cn1;CPRGMGGWKCBDFY-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206879;MM206879;CCn1cnc(C=O)c1;NRRFNLUQOIHVKN-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206880;MM206880;CCn1cnc(C#N)c1;UJFSRQKWHTYRRT-UHFFFAOYSA-N;121.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206881;MM206881;C=Cc1cn(NC)cn1;MREXUBJLIPAJBW-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206882;MM206882;CNn1cnc(C=O)c1;ZYHRIAXNRPYAQJ-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206883;MM206883;CNn1cnc(C#N)c1;LJMWTFYQHUFOGV-UHFFFAOYSA-N;122.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206884;MM206884;C=Cc1cn(OC)cn1;GHNQMVAGPWVALQ-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206885;MM206885;COn1cnc(C=O)c1;WUPJRYOLYNSWHB-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206886;MM206886;COn1cnc(C#N)c1;RKFBDBKBBHPPKY-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206887;MM206887;C=Cc1cnn(CC)c1;NWNOTWZWWRAUMN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206888;MM206888;CCn1cc(C=O)cn1;UMSDESWKSPAALM-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206889;MM206889;CCn1cc(C#N)cn1;SCVYEGXBMMZIET-UHFFFAOYSA-N;121.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206890;MM206890;C=Cc1cnn(NC)c1;QAMQUWJDDNSXQW-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206891;MM206891;CNn1cc(C=O)cn1;FJUQVDSNBHXHGJ-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206892;MM206892;CNn1cc(C#N)cn1;BKBGLEKMDIKRJN-UHFFFAOYSA-N;122.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206893;MM206893;C=Cc1cnn(OC)c1;SEORVTRBVPDZEI-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206894;MM206894;COn1cc(C=O)cn1;YWYZOQRYMPMBFT-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206895;MM206895;COn1cc(C#N)cn1;OHQZCIMUBXDPHP-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206896;MM206896;C=Cc1cn(CC)nn1;SRESWCIEOULMMA-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206897;MM206897;CCn1cc(C=O)nn1;FSEQIWRKHVDORE-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206898;MM206898;CCn1cc(C#N)nn1;QJMNEDPCZQMRHR-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206899;MM206899;C=Cc1cn(NC)nn1;CZKONLQCGLSRBL-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206900;MM206900;CNn1cc(C=O)nn1;REMXCKGLLUDKJS-UHFFFAOYSA-N;126.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206901;MM206901;CNn1cc(C#N)nn1;YQAGNWHALPEADF-UHFFFAOYSA-N;123.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206902;MM206902;C=Cc1cn(OC)nn1;XGNVFWGUJWSSFZ-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206903;MM206903;COn1cc(C=O)nn1;AIRDUHYMLNQOEZ-UHFFFAOYSA-N;127.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206904;MM206904;COn1cc(C#N)nn1;OBDIAZXXOJTFDD-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206905;MM206905;C=Cc1ccn(CC)n1;WCRNZUNBQOPEIB-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206906;MM206906;CCn1ccc(C=O)n1;ZARQNKUDEQVTTD-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206907;MM206907;CCn1ccc(C#N)n1;HUECRBCJOIYWSB-UHFFFAOYSA-N;121.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206908;MM206908;C=Cc1ccn(NC)n1;TUMKJQCUGRQYQC-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206909;MM206909;CNn1ccc(C=O)n1;HWLPLBNWKMOOGJ-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206910;MM206910;CNn1ccc(C#N)n1;ZLKZSPJIJZJTSW-UHFFFAOYSA-N;122.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206911;MM206911;C=Cc1ccn(OC)n1;RHNNXGXNHNZECW-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206912;MM206912;COn1ccc(C=O)n1;RADRZMKWJLVADS-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206913;MM206913;COn1ccc(C#N)n1;JVTKCLWHLKEWEJ-UHFFFAOYSA-N;123.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206914;MM206914;C=Cc1ncn(CC)n1;YTGWCXXDRWOADO-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206915;MM206915;CCn1cnc(C=O)n1;DULXKYWPFZCWEJ-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206916;MM206916;CCn1cnc(C#N)n1;WIWJHJOJHDGTCQ-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206917;MM206917;C=Cc1ncn(NC)n1;RDMQDQMWVMCZAS-UHFFFAOYSA-N;124.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206918;MM206918;CNn1cnc(C=O)n1;XWUQAKSFFUPPJT-UHFFFAOYSA-N;126.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206919;MM206919;CNn1cnc(C#N)n1;WLIBXMAKAROZHL-UHFFFAOYSA-N;123.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206920;MM206920;C=Cc1ncn(OC)n1;XGXNHZIJXYDVJZ-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206921;MM206921;COn1cnc(C=O)n1;RZYQGPMKVWINSX-UHFFFAOYSA-N;127.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206922;MM206922;COn1cnc(C#N)n1;QGZSMPSLTYRURH-UHFFFAOYSA-N;124.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206923;MM206923;C=Cc1cnn(CC)n1;JLAPPXCIWIFZPH-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206924;MM206924;CCn1ncc(C=O)n1;SAKVASCVYNKXBY-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206925;MM206925;CCn1ncc(C#N)n1;RBMGUUBFASKGMC-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206926;MM206926;C=Cc1nnn(CC)n1;DKSUWHWRMWVUFQ-UHFFFAOYSA-N;124.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206927;MM206927;CCn1nnc(C=O)n1;QIOLAVQWHCZQKI-UHFFFAOYSA-N;126.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206928;MM206928;CCn1nnc(C#N)n1;KXKWWUNHSXEZSF-UHFFFAOYSA-N;123.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206929;MM206929;C#CC1=CC(CC)C=C1;GTCYIEVLKVWPSX-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206930;MM206930;C#CC1=CC(CN)C=C1;LFBVAJRMKXUTLM-UHFFFAOYSA-N;119.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206931;MM206931;C#CC1=CC(CO)C=C1;VZDDETKMDMLAQN-UHFFFAOYSA-N;120.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206932;MM206932;C#CC1=CC(CF)C=C1;ULWWZUZQAVEDLC-UHFFFAOYSA-N;122.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206933;MM206933;C#CC1=CC(NC)C=C1;NFEGRLCTHDQTGK-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206934;MM206934;C#CC1=CC(OC)C=C1;ADHGYEXEJHCVPH-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206935;MM206935;C#Cc1ccn(CC)c1;QCSWGKGNFZAMBK-UHFFFAOYSA-N;119.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206936;MM206936;C#Cc1ccn(NC)c1;WFERTHFPALDFNB-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206937;MM206937;C#Cc1ccn(OC)c1;LWQKEFUEQDYVKR-UHFFFAOYSA-N;121.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206938;MM206938;C#Cc1cn(CC)cn1;IBHTVIDZSMZSHJ-UHFFFAOYSA-N;120.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206939;MM206939;C#Cc1cn(NC)cn1;APUZHCDSUMSMGB-UHFFFAOYSA-N;121.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206940;MM206940;C#Cc1cn(OC)cn1;GVAZSBPJPXPITG-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206941;MM206941;C#Cc1cnn(CC)c1;GRNLVMIFGKUZFL-UHFFFAOYSA-N;120.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206942;MM206942;C#Cc1cnn(NC)c1;BHZXMAFGPKZACB-UHFFFAOYSA-N;121.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206943;MM206943;C#Cc1cnn(OC)c1;ZBAQEKYTSNGJPJ-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206944;MM206944;C#Cc1cn(CC)nn1;KDFHLBBPSDVNAO-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206945;MM206945;C#Cc1cn(NC)nn1;MDSNOYBCKGNGEJ-UHFFFAOYSA-N;122.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206946;MM206946;C#Cc1cn(OC)nn1;OQHHIFPVEAYUQD-UHFFFAOYSA-N;123.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206947;MM206947;C#Cc1ccn(CC)n1;FMBLTLLNBRZYJJ-UHFFFAOYSA-N;120.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206948;MM206948;C#Cc1ccn(NC)n1;AMBWMSFJCIDXLM-UHFFFAOYSA-N;121.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206949;MM206949;C#Cc1ccn(OC)n1;GKJSLMBMEODAGQ-UHFFFAOYSA-N;122.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206950;MM206950;C#Cc1ncn(CC)n1;ZGESTAJWDGYSFS-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206951;MM206951;C#Cc1ncn(NC)n1;DUJVBKJHRDVLGD-UHFFFAOYSA-N;122.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206952;MM206952;C#Cc1ncn(OC)n1;YCSDAWWOBHJHHK-UHFFFAOYSA-N;123.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206953;MM206953;C#Cc1cnn(CC)n1;YTIPCBISGGHWGA-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206954;MM206954;C#Cc1nnn(CC)n1;LGFJBRROTSOGQF-UHFFFAOYSA-N;122.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206955;MM206955;C=CC1C=CC(CC)=C1;QFQPSDPTOSWEAE-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206956;MM206956;C=CC1C=CC(CN)=C1;KYVAHDUMGYZNIS-UHFFFAOYSA-N;121.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206957;MM206957;C=CC1C=CC(CO)=C1;GWODBKLVBCOXHQ-UHFFFAOYSA-N;122.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206958;MM206958;C=CC1C=CC(CF)=C1;OPGNADNLYOYZGG-UHFFFAOYSA-N;124.16;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206959;MM206959;CCC1=CC(C=O)C=C1;FBHNCUSKLDTZOO-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206960;MM206960;O=CC1C=CC(CO)=C1;QXARGHWPAIVQOW-UHFFFAOYSA-N;124.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206961;MM206961;O=CC1C=CC(CF)=C1;ZCELPNGTXHIJLK-UHFFFAOYSA-N;126.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206962;MM206962;C=CC1C=CC(OC)=C1;ZUUWIMADFVXYDY-UHFFFAOYSA-N;122.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206963;MM206963;COC1=CC(C=O)C=C1;GMHOLFMURUGYEC-UHFFFAOYSA-N;124.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206964;MM206964;COC1=CC(C#N)C=C1;KMGDXKNTYOSTEB-UHFFFAOYSA-N;121.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206965;MM206965;C=Cn1ccc(CC)c1;PRLALBHLUAZLKR-UHFFFAOYSA-N;121.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206966;MM206966;C=Cn1ccc(CN)c1;LMYSJRNDKGBOPK-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206967;MM206967;C=Cn1ccc(CO)c1;RDCJWLZHBWNADG-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206968;MM206968;C=Cn1ccc(CF)c1;PLYDWHCTMVJANR-UHFFFAOYSA-N;125.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206969;MM206969;CCc1ccn(C=N)c1;BQJKDXUGNFUVGP-UHFFFAOYSA-N;122.17;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206970;MM206970;N=Cn1ccc(CN)c1;WCPVILXNWWVWQE-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206971;MM206971;N=Cn1ccc(CO)c1;LXAQPDRCOQFOTD-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206972;MM206972;N=Cn1ccc(CF)c1;HHFOERGHIFLVAP-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206973;MM206973;CCc1ccn(C=O)c1;CPWKJUXUFXVXMZ-UHFFFAOYSA-N;123.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206974;MM206974;NCc1ccn(C=O)c1;SOHSTAIOUVLSGQ-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206975;MM206975;O=Cn1ccc(CO)c1;IJVNKAPGHXQDHV-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206976;MM206976;O=Cn1ccc(CF)c1;NUWDLRKZZVJSEP-UHFFFAOYSA-N;127.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206977;MM206977;C=Cn1ccc(NC)c1;OUAQUFCINKVYJU-UHFFFAOYSA-N;122.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206978;MM206978;CNc1ccn(C=N)c1;KDMBDARJMJJFET-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206979;MM206979;CNc1ccn(C=O)c1;VVWNNPUPADAUGP-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206980;MM206980;C=Cn1ccc(OC)c1;GRSQLZLUZWCKMG-UHFFFAOYSA-N;123.16;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206981;MM206981;COc1ccn(C=N)c1;JDRIQJXAMAMVFD-UHFFFAOYSA-N;124.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206982;MM206982;COc1ccn(C=O)c1;HTGCYWTWTJALBK-UHFFFAOYSA-N;125.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206983;MM206983;C=Nn1ccc(CC)c1;LPVRHSYLFBTEFZ-UHFFFAOYSA-N;122.17;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206984;MM206984;C=Nn1ccc(CN)c1;LJGCXAGXSNVRML-UHFFFAOYSA-N;123.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206985;MM206985;C=Nn1ccc(CO)c1;GYNRKRYRKNPJFN-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206986;MM206986;C=Nn1ccc(CF)c1;QXNGBQHFRJHNLZ-UHFFFAOYSA-N;126.13;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206987;MM206987;C=Nn1ccc(NC)c1;MZAGQWMDULOVOL-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206988;MM206988;C=Nn1ccc(OC)c1;PMURLMBVOSOLNJ-UHFFFAOYSA-N;124.14;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206989;MM206989;C=Cn1cnc(CC)c1;NXSFTHQONZEHFD-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206990;MM206990;N=C(N)C(=O)CC#CC=O;NBMHHWNJOAAYQQ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206991;MM206991;C=Cn1cnc(CF)c1;AEOKNAYJVVOIFB-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206992;MM206992;CCc1cn(C=O)cn1;FOHBVQOWDNLVEA-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206993;MM206993;CC(=NNCC#N)C(C)O;AEUOXZHBZCGGMH-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206994;MM206994;C=Cn1cnc(NC)c1;DTOYMCWCCRJEKC-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206995;MM206995;CNc1cn(C=N)cn1;ZMQHLVWHYZGZNE-UHFFFAOYSA-N;124.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206996;MM206996;CNc1cn(C=O)cn1;QYEIRMBZJOKPJK-UHFFFAOYSA-N;125.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206997;MM206997;C=Cn1cnc(OC)c1;JYUHALHEGWQHHQ-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206998;MM206998;COc1cn(C=O)cn1;FRUAOFPOIGGTTH-UHFFFAOYSA-N;126.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM206999;MM206999;C=Nn1cnc(NC)c1;OFIRNBBHJYOTTP-UHFFFAOYSA-N;124.15;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207000;MM207000;C=Cn1cc(CC)cn1;CCGNCORBINQEFZ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207001;MM207001;C=Cn1cc(CN)cn1;MLUNEFGKCNQCAO-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207002;MM207002;Nc1nc(=O)nc(N)n1N;JZNNGTYTQZPZDH-UHFFFAOYSA-N;142.12;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207003;MM207003;C=Cn1cc(CF)cn1;HGPLXZNIKHQURR-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207004;MM207004;N=Cn1cc(CN)cn1;XPWOBEVPBAMBQW-UHFFFAOYSA-N;124.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207005;MM207005;CC1CN1C1C(O)C1(C)C;ROFFGUOMYJVVJL-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207006;MM207006;N=Cn1cc(CF)cn1;YWSJQSURIOVHTH-UHFFFAOYSA-N;127.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207007;MM207007;CCc1cnn(C=O)c1;WDFXXWPEKVXJPE-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207008;MM207008;O=Cn1cc(CO)cn1;FZHIDKLIDDWQQR-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207009;MM207009;O=Cn1cc(CF)cn1;DJSUTZMPZCENMP-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207010;MM207010;C=Cn1cc(NC)cn1;LCNDPQCZEWUWGB-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207011;MM207011;CNc1cnn(C=O)c1;ZDZAAGCNHGORDS-UHFFFAOYSA-N;125.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207012;MM207012;C=Cn1cc(OC)cn1;SKFPNMVPHQIQJZ-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207013;MM207013;COc1cnn(C=N)c1;XKRWDLUWKMEUFY-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207014;MM207014;COc1cnn(C=O)c1;PDHOYNMUHCBQEO-UHFFFAOYSA-N;126.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207015;MM207015;C=Nn1cc(CC)cn1;AQPDAPFIPLENAN-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207016;MM207016;C=Nn1cc(CN)cn1;LDLNMYPFMDPSCF-UHFFFAOYSA-N;124.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207017;MM207017;C=C(CC)N=C(C#N)NO;GZTROXKMNGORGU-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207018;MM207018;C=Nn1cc(CF)cn1;CGGNSXMAEQCAAQ-UHFFFAOYSA-N;127.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207019;MM207019;C=Nn1cc(NC)cn1;GTRITBSQQWFXHD-UHFFFAOYSA-N;124.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207020;MM207020;C=Nn1cc(OC)cn1;CXMODKWFCBXRGE-UHFFFAOYSA-N;125.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207021;MM207021;C=Cn1cc(CC)nn1;PFAWWDGWHDBWHL-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207022;MM207022;C=Cn1cc(CO)nn1;KAABNDROJOYJMD-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207023;MM207023;C=Cn1cc(CF)nn1;AIWYIFWMLJBLIE-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207024;MM207024;CCc1cn(C=N)nn1;NTYQNHAQNZEAJO-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207025;MM207025;NN=C(C#CC(N)=O)NN;WTTCIUMGJBZAFN-UHFFFAOYSA-N;141.13;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207026;MM207026;N=Cn1cc(CF)nn1;FIDNLTCTDVQZNQ-UHFFFAOYSA-N;128.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207027;MM207027;CCc1cn(C=O)nn1;NFKLFURTQXUKEM-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207028;MM207028;O=Cn1cc(CO)nn1;BTTFEPYSXGELPH-UHFFFAOYSA-N;127.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207029;MM207029;O=Cn1cc(CF)nn1;OPLLGLDBEPSIKO-UHFFFAOYSA-N;129.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207030;MM207030;NN=CCC(O)COC=O;BHTBRXDQIWDEJG-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207031;MM207031;C=CC1NC1(C)C(O)CC;WUKOOEVDFOMTGM-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207032;MM207032;CNc1cn(C=O)nn1;BJCXUSCXNMGHBY-UHFFFAOYSA-N;126.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207033;MM207033;C=Cn1cc(OC)nn1;DOVRKTDXQHLMSP-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207034;MM207034;COc1cn(C=N)nn1;XDUZBWWXSHZMAD-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207035;MM207035;COc1cn(C=O)nn1;LQWOESPXZOIROU-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207036;MM207036;C=Nn1cc(CC)nn1;TZKARGVWOMJFSH-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207037;MM207037;C=CC(=O)C(=O)CON=C;GOYJFRASTVCHSU-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207038;MM207038;C=Nn1cc(CF)nn1;RMTNIDSOBHCEQN-UHFFFAOYSA-N;128.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207039;MM207039;CNC(=O)N(C=N)C(N)=O;WFPGRDYLEIKUQQ-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207040;MM207040;C=Nn1cc(OC)nn1;URTFRNAMFVDUAT-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207041;MM207041;C=Cn1ccc(CC)n1;WTDOXTBZALFOQW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207042;MM207042;CC1C(O)C1N=C(N)C=O;CJPNUWXQUYKLMY-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207043;MM207043;C=Cn1ccc(CF)n1;QZMJWLXTHSRKMO-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207044;MM207044;CCc1ccn(C=N)n1;PDMXKMXRSWXGFN-UHFFFAOYSA-N;123.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207045;MM207045;N#CC(CO)N(C=N)C=N;IGBBFIXNBOFKHX-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207046;MM207046;N=Cn1ccc(CF)n1;BFRUDZMJISPUNB-UHFFFAOYSA-N;127.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207047;MM207047;CCc1ccn(C=O)n1;LWRMZHIHMDWLGG-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207048;MM207048;O=Cn1ccc(CO)n1;DJGQQUGAUPDNGG-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207049;MM207049;O=Cn1ccc(CF)n1;YNZYVRNQPLGCNI-UHFFFAOYSA-N;128.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207050;MM207050;C=Cn1ccc(OC)n1;JTUWPDXRMTWMDH-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207051;MM207051;COc1ccn(C=N)n1;RXXRXHDALIQCPV-UHFFFAOYSA-N;125.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207052;MM207052;COc1ccn(C=O)n1;PXKWIAAGKNDCRJ-UHFFFAOYSA-N;126.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207053;MM207053;C=Nn1ccc(CC)n1;ONCJAMMFJZCGHX-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207054;MM207054;N#CC(CO)N(C=N)C=O;SPXHIIJTSUUQLF-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207055;MM207055;C=Nn1ccc(CF)n1;QPXJABBZBNRFDX-UHFFFAOYSA-N;127.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207056;MM207056;C=Nn1ccc(OC)n1;BCKJLCXLNFDHPP-UHFFFAOYSA-N;125.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207057;MM207057;C=Cn1cnc(CC)n1;FZCUKCQRPIQUFP-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207058;MM207058;C=Cn1cnc(CO)n1;RPFHYRGWTRFKJB-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207059;MM207059;C=Cn1cnc(CF)n1;ZMBSESANCXAGOC-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207060;MM207060;CCc1ncn(C=N)n1;SPXJWFYYXFVMFZ-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207061;MM207061;COC(=NN)C(CO)=NN;PZPDJPBBYMWQGI-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207062;MM207062;N=Cn1cnc(CF)n1;ZUAYVMXVBABYQN-UHFFFAOYSA-N;128.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207063;MM207063;CCc1ncn(C=O)n1;ONTPUODFJDHYDV-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207064;MM207064;O=Cn1cnc(CO)n1;MMALGOLWINDRBE-UHFFFAOYSA-N;127.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207065;MM207065;O=Cn1cnc(CF)n1;ZPJHSDWQPHWKDY-UHFFFAOYSA-N;129.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207066;MM207066;N#CC(=NCCCO)NO;AOHFLAAAPAEBHG-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207067;MM207067;CCC=CN=C(C#N)NO;MGJGSCMOQFSCDW-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207068;MM207068;CNc1ncn(C=O)n1;RWQVBYINGSHCLX-UHFFFAOYSA-N;126.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207069;MM207069;C=Cn1cnc(OC)n1;SQGQFMQOSDHZBY-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207070;MM207070;COc1ncn(C=N)n1;FMWZUOMECCYEMN-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207071;MM207071;COc1ncn(C=O)n1;XTUHYENEHFCLRF-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207072;MM207072;C=Nn1cnc(CC)n1;NDFKEVHTUBOETG-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207073;MM207073;CN(CCO)C(C#N)CO;NMBHRGQVDQODCP-UHFFFAOYSA-N;144.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207074;MM207074;C=Nn1cnc(CF)n1;PIXNTFGKAZRZOR-UHFFFAOYSA-N;128.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207075;MM207075;CCNC(N)=C(C#N)CO;AJOLWFBUIJJEIX-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207076;MM207076;C=Nn1cnc(OC)n1;RGGCFTDNXUZJTI-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207077;MM207077;C=Cn1ncc(CC)n1;MDIVIMLCVVBQKQ-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207078;MM207078;C=Cn1ncc(CO)n1;SFZKIBCMEVFDJT-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207079;MM207079;C=Cn1ncc(CF)n1;SUDRTTWYEFREJI-UHFFFAOYSA-N;127.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207080;MM207080;CCc1cnn(C=N)n1;BFVGQFLUJGJYEV-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207081;MM207081;CN=c1oc(CO)cn1N;VIRACKYWYCBPOW-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207082;MM207082;N=Cn1ncc(CF)n1;QKRCQIWHXQEQNG-UHFFFAOYSA-N;128.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207083;MM207083;CCc1cnn(C=O)n1;WEUOUDZFRBMAFR-UHFFFAOYSA-N;125.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207084;MM207084;O=Cn1ncc(CO)n1;QGWYZUGUTJQGTE-UHFFFAOYSA-N;127.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207085;MM207085;O=Cn1ncc(CF)n1;IWFKELJRYDZSOU-UHFFFAOYSA-N;129.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207086;MM207086;C=Cn1ncc(OC)n1;APOUZAWZMNMDKU-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207087;MM207087;COc1cnn(C=N)n1;VJIFNFZDPNXCGM-UHFFFAOYSA-N;126.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207088;MM207088;COc1cnn(C=O)n1;HCBXLEQZDUJSHD-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207089;MM207089;C=Cn1nnc(CC)n1;XSSZUKRNODGBBX-UHFFFAOYSA-N;124.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207090;MM207090;C=Cn1nnc(CO)n1;QPSGJDFVMSGXRP-UHFFFAOYSA-N;126.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207091;MM207091;C=Cn1nnc(CF)n1;AAJOUYSESTYCMO-UHFFFAOYSA-N;128.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207092;MM207092;CCc1nnn(C=N)n1;HHFWOOGEWXYKQC-UHFFFAOYSA-N;125.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207093;MM207093;N=Cn1nnc(CO)n1;KYNWBVRPHNVTKR-UHFFFAOYSA-N;127.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207094;MM207094;N=Cn1nnc(CF)n1;HWDJWDIDSKEDNU-UHFFFAOYSA-N;129.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207095;MM207095;CCc1nnn(C=O)n1;MCRPKRFZPMHUFE-UHFFFAOYSA-N;126.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207096;MM207096;O=Cn1nnc(CO)n1;GNEUOFXWHPXNQX-UHFFFAOYSA-N;128.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207097;MM207097;O=Cn1nnc(CF)n1;SYTYQSFOUGMLGA-UHFFFAOYSA-N;130.08;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207098;MM207098;C=Cn1nnc(NC)n1;JYJDCAPBZNKVOH-UHFFFAOYSA-N;125.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207099;MM207099;NN=c1oc(CO)cn1N;YPEMWZIYMVDWJS-UHFFFAOYSA-N;144.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207100;MM207100;CNc1nnn(C=O)n1;INEHZYLHKIEKCV-UHFFFAOYSA-N;127.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207101;MM207101;C=Cn1nnc(OC)n1;DRVJMQGQAYYDDI-UHFFFAOYSA-N;126.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207102;MM207102;COc1nnn(C=N)n1;IAGXKUBTYPBBQV-UHFFFAOYSA-N;127.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207103;MM207103;COc1nnn(C=O)n1;PWIAMILEHOITNN-UHFFFAOYSA-N;128.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207104;MM207104;C=CC1=CC(C=C)C=C1;ROWBOQARGBALSC-UHFFFAOYSA-N;118.18;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207105;MM207105;C=CC1C=CC(C=O)=C1;WPLCMQIEHHUAGD-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207106;MM207106;C=CC1C=CC(C#N)=C1;ZYHXHAMPBURWIV-UHFFFAOYSA-N;117.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207107;MM207107;C=CC1=CC(C=O)C=C1;VMROBJFEXNMMGW-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207108;MM207108;O=CC1=CC(C=O)C=C1;CRGRQCXIANZSDO-UHFFFAOYSA-N;122.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207109;MM207109;N#CC1=CC(C=O)C=C1;VVIZFMNFUKQCOS-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207110;MM207110;C=Cc1ccn(C=C)c1;MFLMSBORMAZXPG-UHFFFAOYSA-N;119.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207111;MM207111;C=Cn1ccc(C=O)c1;NVUFQGYCXHIVOR-UHFFFAOYSA-N;121.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207112;MM207112;C=Cn1ccc(C#N)c1;LDSQVPQZKZETGA-UHFFFAOYSA-N;118.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207113;MM207113;C=Cc1ccn(C=N)c1;NTEXRPBNZRNICL-UHFFFAOYSA-N;120.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207114;MM207114;N#Cc1ccn(C=N)c1;SBGKEQBXTBLNSK-UHFFFAOYSA-N;119.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207115;MM207115;C=Cc1ccn(C=O)c1;KOPBLPMWBHQDRA-UHFFFAOYSA-N;121.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207116;MM207116;O=Cc1ccn(C=O)c1;ZMFOSXKDEJZYGA-UHFFFAOYSA-N;123.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207117;MM207117;N#Cc1ccn(C=O)c1;PLWDBEQHRZOSFR-UHFFFAOYSA-N;120.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207118;MM207118;C=Cc1ccn(N=C)c1;CHFMRRMSHFGMAD-UHFFFAOYSA-N;120.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207119;MM207119;C=Nn1ccc(C#N)c1;BYDIQSOHIAHJHT-UHFFFAOYSA-N;119.13;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207120;MM207120;C=Cc1cn(C=C)cn1;JWUZTVZYEWXPMA-UHFFFAOYSA-N;120.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207121;MM207121;C=Cn1cnc(C=O)c1;GDEOAODNOSKZPB-UHFFFAOYSA-N;122.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207122;MM207122;C=Cn1cnc(C#N)c1;GCLZGRNFKDFDGH-UHFFFAOYSA-N;119.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207123;MM207123;N=Cn1cnc(C=O)c1;UGHFGITTYQPGDD-UHFFFAOYSA-N;123.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207124;MM207124;N#Cc1cn(C=N)cn1;UZRFSDMMTIAEIZ-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207125;MM207125;C=Cc1cn(C=O)cn1;DLADIAMVMTYDDN-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207126;MM207126;O=Cc1cn(C=O)cn1;PVBDHTSYGZBBSK-UHFFFAOYSA-N;124.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207127;MM207127;N#Cc1cn(C=O)cn1;OFCHELVGSNEPFK-UHFFFAOYSA-N;121.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207128;MM207128;C=Cc1cnn(C=C)c1;RFSOFRGLZMTWPI-UHFFFAOYSA-N;120.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207129;MM207129;C=Cn1cc(C=O)cn1;PRSLZFDVLMBABM-UHFFFAOYSA-N;122.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207130;MM207130;C=Cn1cc(C#N)cn1;MDXRSNMWYCRZDM-UHFFFAOYSA-N;119.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207131;MM207131;C=Cc1cnn(C=N)c1;LZJCRIYKSGNBFH-UHFFFAOYSA-N;121.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207132;MM207132;N=Cn1cc(C=O)cn1;JNCSDOHPWKLWCE-UHFFFAOYSA-N;123.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207133;MM207133;N#Cc1cnn(C=N)c1;NNPGRCIFZYNXGH-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207134;MM207134;C=Cc1cnn(C=O)c1;CXOBSOWQWNAGRF-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207135;MM207135;O=Cc1cnn(C=O)c1;XOUUBBQGLNVBJK-UHFFFAOYSA-N;124.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207136;MM207136;N#Cc1cnn(C=O)c1;NILDKBSEMPRAGL-UHFFFAOYSA-N;121.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207137;MM207137;C=Cc1cnn(N=C)c1;NGOIHMNUZCZPOJ-UHFFFAOYSA-N;121.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207138;MM207138;C=Nn1cc(C=O)cn1;IQBIRSHBLCSAPS-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207139;MM207139;C=Nn1cc(C#N)cn1;XYCGPYFYXXACOH-UHFFFAOYSA-N;120.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207140;MM207140;C=Cc1cn(C=C)nn1;XHKXPULGNMNZOS-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207141;MM207141;C=Cn1cc(C=O)nn1;OANWSGJTRLISCJ-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207142;MM207142;C=Cn1cc(C#N)nn1;ASIBMHVZOUQSTN-UHFFFAOYSA-N;120.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207143;MM207143;C=Cc1cn(C=N)nn1;XVABWHBRISOTCI-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207144;MM207144;N=Cn1cc(C=O)nn1;ZWSXINJOTPYMNQ-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207145;MM207145;N#Cc1cn(C=N)nn1;QIMFOEBLIIPXBP-UHFFFAOYSA-N;121.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207146;MM207146;C=Cc1cn(C=O)nn1;NTXMSOPZBZRKRY-UHFFFAOYSA-N;123.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207147;MM207147;O=Cc1cn(C=O)nn1;KLIOQWLQQPQUPC-UHFFFAOYSA-N;125.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207148;MM207148;N#Cc1cn(C=O)nn1;MQCZYKVNFFJBBD-UHFFFAOYSA-N;122.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207149;MM207149;C=Cc1cn(N=C)nn1;XDSKFNSSZHDNSM-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207150;MM207150;C=Nn1cc(C=O)nn1;MRWTZCGCUPVYPG-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207151;MM207151;C=Nn1cc(C#N)nn1;JQESXEHEGANXKU-UHFFFAOYSA-N;121.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207152;MM207152;C=Cc1ccn(C=C)n1;COOHEQSXNNFACJ-UHFFFAOYSA-N;120.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207153;MM207153;C=Cn1ccc(C=O)n1;QCQHNXVQHXEKFL-UHFFFAOYSA-N;122.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207154;MM207154;C=Cn1ccc(C#N)n1;HIZOBJOLFWOPDA-UHFFFAOYSA-N;119.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207155;MM207155;C=Cc1ccn(C=N)n1;QDYDHOJJKDYKSY-UHFFFAOYSA-N;121.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207156;MM207156;N=Cn1ccc(C=O)n1;RGDKCDNLEDMRGV-UHFFFAOYSA-N;123.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207157;MM207157;N#Cc1ccn(C=N)n1;OCJDZNBJBZCULI-UHFFFAOYSA-N;120.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207158;MM207158;C=Cc1ccn(C=O)n1;YGAXOUPESFHZRW-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207159;MM207159;O=Cc1ccn(C=O)n1;KPBAVEYUMYQAOY-UHFFFAOYSA-N;124.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207160;MM207160;N#Cc1ccn(C=O)n1;SIPKXAPCKYJIQS-UHFFFAOYSA-N;121.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207161;MM207161;C=Cc1ccn(N=C)n1;QQXNYMFCKWNKSQ-UHFFFAOYSA-N;121.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207162;MM207162;C=Nn1ccc(C=O)n1;PKTIBFMFNBVNIN-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207163;MM207163;C=Nn1ccc(C#N)n1;LZBBJWQHDZKXCA-UHFFFAOYSA-N;120.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207164;MM207164;C=Cc1ncn(C=C)n1;WZMQYBLFMHDNHK-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207165;MM207165;C=Cn1cnc(C=O)n1;CWOQZMZHPGSDPV-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207166;MM207166;C=Cn1cnc(C#N)n1;ADLSAKUSXCOLSF-UHFFFAOYSA-N;120.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207167;MM207167;C=Cc1ncn(C=N)n1;LCJKXTKAQIVDCI-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207168;MM207168;N=Cn1cnc(C=O)n1;CDNIPRSFOKAPRD-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207169;MM207169;N#Cc1ncn(C=N)n1;SQXPYCXHZSGTID-UHFFFAOYSA-N;121.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207170;MM207170;C=Cc1ncn(C=O)n1;QSVUEIDGUVQJQK-UHFFFAOYSA-N;123.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207171;MM207171;O=Cc1ncn(C=O)n1;CHIYVNPZTCXFBJ-UHFFFAOYSA-N;125.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207172;MM207172;N#Cc1ncn(C=O)n1;DNKIDKNYCXLYGF-UHFFFAOYSA-N;122.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207173;MM207173;C=Cc1ncn(N=C)n1;RJHQVDUNANESOB-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207174;MM207174;C=Nn1cnc(C=O)n1;NRHFSNJDGKETPX-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207175;MM207175;C=Nn1cnc(C#N)n1;ZAVDRYRTFYZJIN-UHFFFAOYSA-N;121.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207176;MM207176;C=Cc1cnn(C=C)n1;GCUGKTUIEVYUSW-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207177;MM207177;C=Cn1ncc(C=O)n1;NIVVIMAEOUDVGG-UHFFFAOYSA-N;123.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207178;MM207178;C=Cn1ncc(C#N)n1;RFJRTSKBGUEWKV-UHFFFAOYSA-N;120.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207179;MM207179;C=Cc1cnn(C=N)n1;WQQUCCCLSWKVBP-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207180;MM207180;N=Cn1ncc(C=O)n1;NHAAUMYDYALILU-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207181;MM207181;N#Cc1cnn(C=N)n1;HZVVGVQIBBYDOI-UHFFFAOYSA-N;121.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207182;MM207182;C=Cc1cnn(C=O)n1;POBXLBJXYMZISF-UHFFFAOYSA-N;123.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207183;MM207183;O=Cc1cnn(C=O)n1;YNBWHRMXBBQBOZ-UHFFFAOYSA-N;125.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207184;MM207184;N#Cc1cnn(C=O)n1;JTRYCXXYTMZFHF-UHFFFAOYSA-N;122.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207185;MM207185;C=Cc1nnn(C=C)n1;XSRRAMUPXDIOPI-UHFFFAOYSA-N;122.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207186;MM207186;C=Cn1nnc(C=O)n1;YFYNXMILKAMZRS-UHFFFAOYSA-N;124.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207187;MM207187;C=Cn1nnc(C#N)n1;MGIPVLQUZXZYSL-UHFFFAOYSA-N;121.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207188;MM207188;C=Cc1nnn(C=N)n1;INXGIIAEVVTFON-UHFFFAOYSA-N;123.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207189;MM207189;N=Cn1nnc(C=O)n1;DIMVUGWSHYBJBR-UHFFFAOYSA-N;125.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207190;MM207190;N#Cc1nnn(C=N)n1;CNVNKQKCDDTGPY-UHFFFAOYSA-N;122.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207191;MM207191;C=Cc1nnn(C=O)n1;FQYMZMXGXAHGGE-UHFFFAOYSA-N;124.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207192;MM207192;O=Cc1nnn(C=O)n1;NAHAKPSTWRLNEU-UHFFFAOYSA-N;126.08;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207193;MM207193;N#Cc1nnn(C=O)n1;VMTPEGLXMYFLKV-UHFFFAOYSA-N;123.08;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207194;MM207194;C#CC1=CC(C=C)C=C1;QGAVNUFRXMZWGM-UHFFFAOYSA-N;116.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207195;MM207195;C#CC1=CC(C=O)C=C1;KPKPGODZCKCFBT-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207196;MM207196;C#Cc1ccn(C=C)c1;FYPASTSXBAPDRV-UHFFFAOYSA-N;117.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207197;MM207197;C#Cc1ccn(C=N)c1;FILRKGQQKMLWHN-UHFFFAOYSA-N;118.14;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207198;MM207198;C#Cc1ccn(C=O)c1;NPWISFUBKDVXCO-UHFFFAOYSA-N;119.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207199;MM207199;C#Cc1ccn(N=C)c1;WHUJZRWAFUYFPY-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207200;MM207200;C#Cc1cn(C=C)cn1;VTHAERPGMLTOEU-UHFFFAOYSA-N;118.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207201;MM207201;C#Cc1cn(C=O)cn1;STKCLNAFWDKPPJ-UHFFFAOYSA-N;120.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207202;MM207202;C#Cc1cnn(C=C)c1;DAAGEIMOILQUTE-UHFFFAOYSA-N;118.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207203;MM207203;C#Cc1cnn(C=N)c1;CNSQZFNYZKBGFK-UHFFFAOYSA-N;119.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207204;MM207204;C#Cc1cnn(C=O)c1;GBWDRDQPQAYAKX-UHFFFAOYSA-N;120.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207205;MM207205;C#Cc1cnn(N=C)c1;YVFYEADMOFHYCL-UHFFFAOYSA-N;119.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207206;MM207206;C#Cc1cn(C=C)nn1;FDYDCRCLGANPQQ-UHFFFAOYSA-N;119.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207207;MM207207;C#Cc1cn(C=N)nn1;YJKZCCGKUXZNTI-UHFFFAOYSA-N;120.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207208;MM207208;C#Cc1cn(C=O)nn1;GWIMPEYBOZFFNA-UHFFFAOYSA-N;121.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207209;MM207209;C#Cc1cn(N=C)nn1;CAVSVALLLHRXGM-UHFFFAOYSA-N;120.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207210;MM207210;C#Cc1ccn(C=C)n1;MQHZDSDDBRRMRQ-UHFFFAOYSA-N;118.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207211;MM207211;C#Cc1ccn(C=N)n1;HESOETUSAGGHDX-UHFFFAOYSA-N;119.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207212;MM207212;C#Cc1ccn(C=O)n1;ULCDJAZVYKOHQX-UHFFFAOYSA-N;120.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207213;MM207213;C#Cc1ccn(N=C)n1;DULDAOIQBUGFLE-UHFFFAOYSA-N;119.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207214;MM207214;C#Cc1ncn(C=C)n1;KMOMCLMUYVJTMQ-UHFFFAOYSA-N;119.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207215;MM207215;C#Cc1ncn(C=N)n1;ZPVQHPWKDCTQTP-UHFFFAOYSA-N;120.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207216;MM207216;C#Cc1ncn(C=O)n1;RGOFHMUMLPYCFK-UHFFFAOYSA-N;121.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207217;MM207217;C#Cc1ncn(N=C)n1;NUMWKFQGGLHCIW-UHFFFAOYSA-N;120.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207218;MM207218;C#Cc1cnn(C=C)n1;SWZOAAFMNMBTBV-UHFFFAOYSA-N;119.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207219;MM207219;C#Cc1cnn(C=N)n1;JJURWXQCWMUUKX-UHFFFAOYSA-N;120.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207220;MM207220;C#Cc1cnn(C=O)n1;YUGIPLXGWZOQRH-UHFFFAOYSA-N;121.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207221;MM207221;C#Cc1nnn(C=C)n1;LTJABVRAHAGKGG-UHFFFAOYSA-N;120.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207222;MM207222;C#Cc1nnn(C=N)n1;XTGXFUKEFNZCAP-UHFFFAOYSA-N;121.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207223;MM207223;C#Cc1nnn(C=O)n1;QAZOUTXDCWJRGH-UHFFFAOYSA-N;122.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207224;MM207224;C#CC1C=CC(CC)=C1;BFVQPZFIIJHXER-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207225;MM207225;C#CC1C=CC(CN)=C1;IFDBYPRWSGBGGG-UHFFFAOYSA-N;119.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207226;MM207226;C#CC1C=CC(CO)=C1;ULZRJAXBYVMPDR-UHFFFAOYSA-N;120.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207227;MM207227;C#CC1C=CC(CF)=C1;PWYNULDYHMSKOU-UHFFFAOYSA-N;122.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207228;MM207228;C#CC1C=CC(OC)=C1;DJCQOEGPSASABS-UHFFFAOYSA-N;120.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207229;MM207229;C#CC1C=CC(C=C)=C1;WVARLFWSSRCLFK-UHFFFAOYSA-N;116.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207230;MM207230;C#CC1C=CC(C=O)=C1;FLBNCQACPRIILQ-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207231;MM207231;C#CC1C=CC(C#N)=C1;YVHPWALKSHKMKT-UHFFFAOYSA-N;115.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207232;MM207232;C#CC1=CC(C#C)C=C1;CIOJXDJTQHWNDT-UHFFFAOYSA-N;114.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207233;MM207233;CC=C1C=CC(CC)=C1;GXPCKAVITUDKRV-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207234;MM207234;CC=C1C=CC(CN)=C1;AWFODUWVFAICMC-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207235;MM207235;CC=C1C=CC(CO)=C1;AEPINZOPWXNBCH-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207236;MM207236;CC=C1C=CC(CF)=C1;FBVNSOCZDPJESW-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207237;MM207237;CCC1=CC(=CF)C=C1;WVOJJHFJHKLOPE-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207238;MM207238;NCC1=CC(=CF)C=C1;RSUWYPHRAUDMEB-UHFFFAOYSA-N;125.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207239;MM207239;OCC1=CC(=CF)C=C1;RIWDVHWOJTZSON-UHFFFAOYSA-N;126.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207240;MM207240;FC=C1C=CC(CF)=C1;AMZZVFGERVQRSK-UHFFFAOYSA-N;128.12;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207241;MM207241;CC=C1C=CC(OC)=C1;FQQFMNIGQATYMB-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207242;MM207242;COC1=CC(=CF)C=C1;DAPMMWSEBVFHOW-UHFFFAOYSA-N;126.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207243;MM207243;CCC1=CC(=NN)C=C1;QDOYTZRADRRHPY-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207244;MM207244;CCC1=C(C)C(=NN)OC1;DQXNCIFBABRNRA-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207245;MM207245;NN=C1C=CC(CF)=C1;CNJAKHQVHBJUHG-UHFFFAOYSA-N;126.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207246;MM207246;CCC1=CC(=NO)C=C1;QYVOLRWVHMQTSB-UHFFFAOYSA-N;123.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207247;MM207247;NCC1=CC(=NO)C=C1;UQWRGZGZTZZVKW-UHFFFAOYSA-N;124.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207248;MM207248;OCC1=CC(=NO)C=C1;JKYWZDYKGGPZOV-UHFFFAOYSA-N;125.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207249;MM207249;ON=C1C=CC(CF)=C1;RQGBQOMWYZNEHR-UHFFFAOYSA-N;127.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207250;MM207250;CN=C1C=CC(NN)=C1;MTALWUGYXDGNTM-UHFFFAOYSA-N;123.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207251;MM207251;CN=C1C=CC(NO)=C1;KYSNPQROIMTNSG-UHFFFAOYSA-N;124.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207252;MM207252;COC1=CC(=NN)C=C1;MNXZLGRVAYHSRN-UHFFFAOYSA-N;124.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207253;MM207253;COC1=CC(=NO)C=C1;QCRASIBYHLGBFE-UHFFFAOYSA-N;125.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207254;MM207254;C=Cc1c[nH]c(N=N)c1F;WNKURIIWTTUYET-UHFFFAOYSA-N;139.13;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207255;MM207255;O=CCOC=NNCCO;SUXKPASDOXMABS-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207256;MM207256;NCc1cc(N=O)c[nH]1;SLYLEFWJRLQJNQ-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207257;MM207257;O=Nc1c[nH]c(CO)c1;JQBBGYCAQOOOGZ-UHFFFAOYSA-N;126.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207258;MM207258;O=Nc1c[nH]c(CF)c1;XSWXXEJWSIXZFP-UHFFFAOYSA-N;128.11;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207259;MM207259;N#CC(CO)=C(N)N1CC1;FROOIYQJYOUIMQ-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207260;MM207260;CCON=CC(C)(C)O;HLTOVAPNFNMAEY-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207261;MM207261;C=NNCC(O)C=CF;JOMACWIEHBXDNJ-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207262;MM207262;COc1cc(N=O)c[nH]1;OAUCEKPNQDQNLC-UHFFFAOYSA-N;126.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207263;MM207263;CCC1=CC(=NC)N=C1;UQZGXWWXVKEFJS-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207264;MM207264;CN=C1C=C(CN)C=N1;SVNCSAVLTLWPEP-UHFFFAOYSA-N;123.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207265;MM207265;CC1=NC(=N)C(C)N1O;AZNNFHZARRAXMM-UHFFFAOYSA-N;127.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207266;MM207266;CN=C1C=C(CF)C=N1;OBSQIXYBSZZJCS-UHFFFAOYSA-N;126.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207267;MM207267;C=CC1NCC(=C)C1=O;NJTPUSVFRIASRT-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207268;MM207268;CN1CC1C=CNC=O;RXHKUXUOKWGNKV-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207269;MM207269;N#CC(CO)NCCO;GNQJXQCRPULJHX-UHFFFAOYSA-N;130.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207270;MM207270;OCC1COC(NO)=N1;CUSKRFLKDWGIRP-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207271;MM207271;NCc1c[nH]c(N=O)c1;UPQYLUCIBCYIKQ-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207272;MM207272;O=Nc1cc(CO)c[nH]1;RTLDPOUYUPRRAO-UHFFFAOYSA-N;126.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207273;MM207273;O=Nc1cc(CF)c[nH]1;HUAHAWLMJAQAOK-UHFFFAOYSA-N;128.11;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207274;MM207274;CC(C)ON=CC(C)(C)O;DPOBNDQPOVTEJG-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207275;MM207275;CCCON=CC(C)(C)O;JIKJBYYZVFBWHN-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207276;MM207276;CN=C1C=C(OC)C=N1;OYOLGTMOXPRMCE-UHFFFAOYSA-N;124.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207277;MM207277;CC(C)(O)C=NOCCF;MGYFPUYSCADGKY-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207278;MM207278;COc1c[nH]c(N=O)c1;HGMCNFCSWACQJI-UHFFFAOYSA-N;126.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207279;MM207279;CCC1=NC(=NC)C=C1;MPLJJKCSRPIQID-UHFFFAOYSA-N;122.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207280;MM207280;CN=C1C=CC(CN)=N1;QHOVUTFUYBDIPK-UHFFFAOYSA-N;123.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207281;MM207281;C=C(C)C(C)=NOC(N)=O;DCFRBDRSAZGCAF-UHFFFAOYSA-N;142.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207282;MM207282;CN=C1C=CC(CF)=N1;BBLMECUFHKNLJV-UHFFFAOYSA-N;126.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207283;MM207283;CC1(O)CC2(C#N)CC1N2;GEOUCKNKHGDRIT-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207284;MM207284;CC1(C)C(O)C1NCC#N;XJDOUOMANIURCU-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207285;MM207285;C=NOC(COC)C(C)O;SWXJYHFBJZDFTN-UHFFFAOYSA-N;147.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207286;MM207286;CON=CC(C)(C#N)CO;BZMLJTBQPPTXBS-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207287;MM207287;NCc1ccc(N=O)[nH]1;BUINBMCPNNCEHB-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207288;MM207288;O=Nc1ccc(CO)[nH]1;PQOHQVSFAYGFAA-UHFFFAOYSA-N;126.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207289;MM207289;O=Nc1ccc(CF)[nH]1;JEHWPZAVXIJMOR-UHFFFAOYSA-N;128.11;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207290;MM207290;CN=C1C=CC(OC)=N1;JJJLPHANKJKFFY-UHFFFAOYSA-N;124.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207291;MM207291;CCC(C)=NOC(=O)NC;YGACVDGEIYOTQE-UHFFFAOYSA-N;144.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207292;MM207292;CCC1=NC(=NC)C=N1;IUOYTKGMIAOOPX-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207293;MM207293;CCC1(O)CNC(C#N)C1;DMDMKEJZUQOWDT-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207294;MM207294;CN=C1C=NC(CF)=N1;MFYLVZSUQIZKGC-UHFFFAOYSA-N;127.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207295;MM207295;CCC(C)N=C(C#N)NO;WRFCEJDPZZUNJZ-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207296;MM207296;N=Nc1c[nH]c(CO)n1;GYJUAVUXNJUNIJ-UHFFFAOYSA-N;126.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207297;MM207297;N=Nc1c[nH]c(CF)n1;KAOBYLJRJXEWFB-UHFFFAOYSA-N;128.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207298;MM207298;CCc1nc(N=O)c[nH]1;NPYWNDXZAOWALB-UHFFFAOYSA-N;125.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207299;MM207299;CC(C)CN=C(C#N)NO;MDFSFPFEZWIYNQ-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207300;MM207300;C=NN1CC(C#N)(CO)C1;WNIQWROWLORBHZ-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207301;MM207301;C=NN1CC1C(C)(O)CC;KBZQIEFBSHODGB-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207302;MM207302;CC(C=O)N(O)C(=N)C=O;UMYCWNQKFLEUNH-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207303;MM207303;N=Nc1c[nH]c(NO)n1;LIDPTJAMSBWWRU-UHFFFAOYSA-N;127.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207304;MM207304;CNc1nc(N=O)c[nH]1;FNTOAOMQOHHHBS-UHFFFAOYSA-N;126.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207305;MM207305;NNc1nc(N=O)c[nH]1;LYAQIZMOJZGXIK-UHFFFAOYSA-N;127.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207306;MM207306;CN=C1C=NC(OC)=N1;WSAYDXZQJNITSN-UHFFFAOYSA-N;125.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207307;MM207307;C=CCc1nn[nH]n1;GKYAEESRJSQGLY-UHFFFAOYSA-N;110.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207308;MM207308;CCC1=NC(=NC)N=C1;KBNQFHGRCFERCU-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207309;MM207309;C=NOCCNC(=O)OC;YTWRFQZIHRKEQY-UHFFFAOYSA-N;146.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207310;MM207310;CN=C1N=CC(CF)=N1;SVFSEQBXAGRCPK-UHFFFAOYSA-N;127.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207311;MM207311;CCC(O)CON=CNO;ZVVLVWFKOPUPIB-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207312;MM207312;N#CC(NCCO)C(N)=O;DUNPDNVHGIQJFQ-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207313;MM207313;CN(O)C(C#N)=NCCO;PBDPFQSIZSBQAK-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207314;MM207314;CCC1=NC(=NO)N=C1;VEBOPQFWXLFFAD-UHFFFAOYSA-N;125.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207315;MM207315;CN=C1N=CC(OC)=N1;AAIBTNPNISLCLW-UHFFFAOYSA-N;125.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207316;MM207316;Cn1cnc(=N)c(CO)n1;FWFFLVDJEVJYLO-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207317;MM207317;C=CC1=CC(=CC)C=C1;WKTZKXDMTWZXEY-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207318;MM207318;CC=C1C=CC(C=O)=C1;XCLPGXQODRHBAV-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207319;MM207319;CC=C1C=CC(C#N)=C1;DMQGHBPRNYNBQR-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207320;MM207320;C=CC1=CC(=CF)C=C1;NEBZSZINBDFINB-UHFFFAOYSA-N;122.14;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207321;MM207321;O=CC1=CC(=CF)C=C1;RTBOJICATOCQIO-UHFFFAOYSA-N;124.11;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207322;MM207322;N#CC1=CC(=CF)C=C1;PJQCRDYNZYFFTC-UHFFFAOYSA-N;121.11;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207323;MM207323;C=CC1=CC(=NN)C=C1;PDDVEQXHJOCKBS-UHFFFAOYSA-N;120.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207324;MM207324;C=CC1=CC(=NO)C=C1;QFUTVQMFGRYMMD-UHFFFAOYSA-N;121.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207325;MM207325;O=CC1=CC(=NO)C=C1;UJDFWFMLJWTBRJ-UHFFFAOYSA-N;123.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207326;MM207326;C=Cc1cc(N=O)c[nH]1;PJRSWIWFFBYDPL-UHFFFAOYSA-N;122.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207327;MM207327;O=CC1=CC(=NO)C=N1;ZIFNWKNBJPMAHK-UHFFFAOYSA-N;124.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207328;MM207328;N#Cc1cc(N=O)c[nH]1;WOJXBSVCCMWFIZ-UHFFFAOYSA-N;121.1;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207329;MM207329;C=CC1=CC(=NC)N=C1;XGMYGNPZPZAEIO-UHFFFAOYSA-N;120.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207330;MM207330;CN=C1C=C(C=O)C=N1;JDRRXOYNCVDXNV-UHFFFAOYSA-N;122.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207331;MM207331;CN=C1C=C(C#N)C=N1;NTHFRROWFFAKFI-UHFFFAOYSA-N;119.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207332;MM207332;N=CN(C=O)C(=NN)NO;NVHTXQNHHCHYEI-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207333;MM207333;C=Cc1c[nH]c(N=O)c1;ICKIUEJFOLFBQJ-UHFFFAOYSA-N;122.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207334;MM207334;N#Cc1c[nH]c(N=O)c1;OMYHTQQVSYJETE-UHFFFAOYSA-N;121.1;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207335;MM207335;C=CC1=NC(=NC)C=C1;IEEJFUYCQAVBSJ-UHFFFAOYSA-N;120.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207336;MM207336;CN=C1C=CC(C=O)=N1;UXUPKVLOFKSOLY-UHFFFAOYSA-N;122.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207337;MM207337;CN=C1C=CC(C#N)=N1;RUHUXDPSDKBVRL-UHFFFAOYSA-N;119.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207338;MM207338;CCCCN=C(C#N)NO;PASZCGJPTKMWJD-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207339;MM207339;C=Cc1ccc(N=O)[nH]1;UMDOTUPOZLFGLE-UHFFFAOYSA-N;122.13;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207340;MM207340;C=CC1=NC(=NC)C=N1;DCZZESQSFCEOJW-UHFFFAOYSA-N;121.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207341;MM207341;CN=C1C=NC(C=O)=N1;AEIDGMNHWBPBGI-UHFFFAOYSA-N;123.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207342;MM207342;CN=C1C=NC(C#N)=N1;HMAOLFHRQJHJDQ-UHFFFAOYSA-N;120.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207343;MM207343;C=Cc1nc(N=N)c[nH]1;YYBHRUBHTRGFRN-UHFFFAOYSA-N;122.13;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207344;MM207344;C=Cc1nc(N=O)c[nH]1;YIKGQWOPGJRYNH-UHFFFAOYSA-N;123.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207345;MM207345;O=CC1=NC(=NO)C=N1;RWVIMKNGSMBNMR-UHFFFAOYSA-N;125.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207346;MM207346;CCC(CO)CCC(=O)O;OIKRTPRZTWWUPG-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207347;MM207347;C=CC1=NC(=NC)N=C1;OMFKLCZSABEWEP-UHFFFAOYSA-N;121.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207348;MM207348;CN=C1N=CC(C=O)=N1;LGVZRCIUQJJBEA-UHFFFAOYSA-N;123.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207349;MM207349;CN=C1N=CC(C#N)=N1;AGUGQCMTOCHNMQ-UHFFFAOYSA-N;120.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207350;MM207350;NN=C(NO)ON=CCO;RKCXVBAVPJDLCU-UHFFFAOYSA-N;148.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207351;MM207351;C=CC1=NC(=NO)N=C1;CYTRONRMVYKUDH-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207352;MM207352;C#CC1=CC(=CC)C=C1;XDCMTRYTFQENKN-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207353;MM207353;C#CC1=CC(=CF)C=C1;HXFZDNSMPGQJIL-UHFFFAOYSA-N;120.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207354;MM207354;C#CC1=CC(=NN)C=C1;VRZLPCSPDZBKKV-UHFFFAOYSA-N;118.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207355;MM207355;C#CC1=CC(=NO)C=C1;ULRFJDAVUVSNDN-UHFFFAOYSA-N;119.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207356;MM207356;C#Cc1cc(N=O)c[nH]1;ONHCITJOXGRMKV-UHFFFAOYSA-N;120.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207357;MM207357;C#CC1=CC(=NC)N=C1;NJXHGKUGHHPDHD-UHFFFAOYSA-N;118.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207358;MM207358;C#CC(=NC)N(O)CCO;DUVXJQGYGYXZGN-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207359;MM207359;C#Cc1c[nH]c(N=O)c1;MDSLWYCAQMDRSX-UHFFFAOYSA-N;120.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207360;MM207360;C#CC1=NC(=NC)C=C1;SLSSRKAWIXZREA-UHFFFAOYSA-N;118.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207361;MM207361;CC1CC1N=C(C#N)NO;UDUVTQVTESGRRD-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207362;MM207362;C#Cc1ccc(N=O)[nH]1;HZASNCYKMUIBIA-UHFFFAOYSA-N;120.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207363;MM207363;C#CC1=NC(=NC)C=N1;KHXMGDZUPSUJGI-UHFFFAOYSA-N;119.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207364;MM207364;C#Cc1nc(N=N)c[nH]1;BTMLUNPKZISTCJ-UHFFFAOYSA-N;120.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207365;MM207365;C#CC1=NC(=NC)N=C1;UGXTZARMPSAVNZ-UHFFFAOYSA-N;119.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207366;MM207366;C=C(C)c1ccc(N=N)[nH]1;QQEHUJIWDRQSAL-UHFFFAOYSA-N;135.17;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207367;MM207367;CCC1=CCC(CC)=C1;PHNRSDYWDCLYCF-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207368;MM207368;CCC1=CCC(CN)=C1;LMPBDGVNMPTBHG-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207369;MM207369;CCC1=CCC(CO)=C1;IXMXHRNDMRQBCH-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207370;MM207370;CCC1=CCC(CF)=C1;OZFCJNGSUPVKSR-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207371;MM207371;CCC1=CC(CN)=CC1;RWDIRLAHZVNQED-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207372;MM207372;NCC1=CCC(CN)=C1;VHSWDCNEADOTBW-UHFFFAOYSA-N;124.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207373;MM207373;NCC1=CCC(CO)=C1;WXLFKKWKNALPIF-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207374;MM207374;NCC1=CCC(CF)=C1;FUOCTKZDBSCJLU-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207375;MM207375;CCC1=CC(CO)=CC1;YMSOZGUFPUCUBP-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207376;MM207376;NCC1=CC(CO)=CC1;VQOFFESDHKMYFG-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207377;MM207377;OCC1=CCC(CO)=C1;MFDKLBIJBIEFQU-UHFFFAOYSA-N;126.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207378;MM207378;OCC1=CCC(CF)=C1;JXTPRQOLFICCNT-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207379;MM207379;CCC1=CC(CF)=CC1;CZPBQOXICPLPSC-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207380;MM207380;NCC1=CC(CF)=CC1;RQVHDULRIILKSP-UHFFFAOYSA-N;127.16;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207381;MM207381;OCC1=CC(CF)=CC1;UUOXEIAVTBLFBM-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207382;MM207382;FCC1=CCC(CF)=C1;HQRMGEHEQJVWNH-UHFFFAOYSA-N;130.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207383;MM207383;CCC1=CCC(OC)=C1;YABRRLCBZKWAGO-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207384;MM207384;COC1=CC(CN)=CC1;QHURWUXEPQWQFK-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207385;MM207385;COC1=CC(CO)=CC1;KSJLSLLICXCSOD-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207386;MM207386;COC1=CC(CF)=CC1;FJDAMUTVDCZLIV-UHFFFAOYSA-N;128.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207387;MM207387;CCC1=CC(OC)=CC1;ZUBVOXRXKBFAGW-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207388;MM207388;COC1=CCC(CN)=C1;RFADUWSNZIGXFH-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207389;MM207389;COC1=CCC(CO)=C1;VIQXFYXBVFFIAX-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207390;MM207390;COC1=CCC(CF)=C1;LBLCYAOTDOTFBG-UHFFFAOYSA-N;128.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207391;MM207391;COC1=CCC(OC)=C1;DVLWDJQJDPGXBS-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207392;MM207392;CCc1c[nH]c(CC)c1;SFAFICKQFNSRHC-UHFFFAOYSA-N;123.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207393;MM207393;CCc1c[nH]c(CN)c1;RSALKIGSJSPUOY-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207394;MM207394;CCc1c[nH]c(CO)c1;RATNMLXJXWHWPF-UHFFFAOYSA-N;125.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207395;MM207395;CCc1c[nH]c(CF)c1;YCUCQDKEPDFSSC-UHFFFAOYSA-N;127.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207396;MM207396;CCc1cc(CN)c[nH]1;BHPSNTHAVDHJKC-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207397;MM207397;NCc1c[nH]c(CN)c1;VJBVADBEAHOUEX-UHFFFAOYSA-N;125.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207398;MM207398;NCc1c[nH]c(CO)c1;JUVMXIJXMFMASY-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207399;MM207399;NCc1c[nH]c(CF)c1;WKGYZNLJQCHCRP-UHFFFAOYSA-N;128.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207400;MM207400;CCc1cc(CO)c[nH]1;VRSMDKNRYKIVFN-UHFFFAOYSA-N;125.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207401;MM207401;NCc1cc(CO)c[nH]1;JMOOODAUCPJHJN-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207402;MM207402;OCc1c[nH]c(CO)c1;WKDBGUFHDXPMHC-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207403;MM207403;OCc1c[nH]c(CF)c1;GXLBDNPWOBXGIZ-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207404;MM207404;CCc1cc(CF)c[nH]1;HJOPDIQQKNNVCC-UHFFFAOYSA-N;127.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207405;MM207405;NCc1cc(CF)c[nH]1;RTWNJYVQTFGUBO-UHFFFAOYSA-N;128.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207406;MM207406;OCc1cc(CF)c[nH]1;TVECNGCYVVKLAO-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207407;MM207407;FCc1c[nH]c(CF)c1;VVWWNJNTNBHRCG-UHFFFAOYSA-N;131.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207408;MM207408;CNc1cc(CC#N)c[nH]1;IBBWONOESMOBSA-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207409;MM207409;CNc1cc(CN)c[nH]1;BERFRGQDQNQCSC-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207410;MM207410;C=COc1c[nH]c(N=N)c1;LFIVNLHSHZYEDO-UHFFFAOYSA-N;137.14;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207411;MM207411;Cn1c(=NN)c(N)cn1O;NFWVVCQOMWESOH-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207412;MM207412;CCc1c[nH]c(OC)c1;HOYOCRLVRNESOA-UHFFFAOYSA-N;125.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207413;MM207413;COc1cc(CN)c[nH]1;ZLHBMIBMKMDJHZ-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207414;MM207414;COc1cc(CO)c[nH]1;ZAOYWXISSXSWOS-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207415;MM207415;COc1cc(CF)c[nH]1;XVWICTFZOQMERB-UHFFFAOYSA-N;129.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207416;MM207416;Cn1cc(CO)oc1=NN;KKRRALOZUHHQNT-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207417;MM207417;CNc1c[nH]c(CN)c1;ODZKNDVNQNQFQJ-UHFFFAOYSA-N;125.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207418;MM207418;NN=C1CC2CC2(CO)O1;WHGHGUHQYOADSL-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207419;MM207419;NN=C1OC2(CO)CC1C2;RMLVRRXTLIYZCE-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207420;MM207420;NN=C1COC2(CO)CC12;JAXWTRDMDGVEHF-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207421;MM207421;C=CC1NC(C)C1=O;XETMKDZOUYSRKG-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207422;MM207422;CCc1cc(OC)c[nH]1;JEUWYNQNJASHMN-UHFFFAOYSA-N;125.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207423;MM207423;COc1c[nH]c(CN)c1;OKIFWUFOTTWQIB-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207424;MM207424;COc1c[nH]c(CO)c1;VUZNQOGWICRZJA-UHFFFAOYSA-N;127.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207425;MM207425;COc1c[nH]c(CF)c1;JZQQJKAVKXISQR-UHFFFAOYSA-N;129.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207426;MM207426;C=CCc1cc[nH]n1;ZVFGYVSOABWFCB-UHFFFAOYSA-N;108.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207427;MM207427;COc1c[nH]c(OC)c1;KUXPSZQXXLHXMU-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207428;MM207428;CCc1coc(CC)c1;NNHTVUIJCACSAE-UHFFFAOYSA-N;124.18;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207429;MM207429;CCc1coc(CO)c1;RJQDTAACTGPLIT-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207430;MM207430;CCc1coc(CF)c1;LYTRLBSHLSGVRU-UHFFFAOYSA-N;128.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207431;MM207431;CCc1cc(CN)co1;IFPBNTVWZOVIFX-UHFFFAOYSA-N;125.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207432;MM207432;NCc1coc(CN)c1;GSKREAWHHYHSLV-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207433;MM207433;NCc1coc(CO)c1;HADLWGSKPQHKTI-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207434;MM207434;NCc1coc(CF)c1;HXDNXJSUYLBSER-UHFFFAOYSA-N;129.13;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207435;MM207435;CCc1cc(CO)co1;GCWIAISWFJNKFM-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207436;MM207436;OCc1coc(CO)c1;HKGMKJJFLRJMEN-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207437;MM207437;OCc1coc(CF)c1;QQCNXCWFVJBCBJ-UHFFFAOYSA-N;130.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207438;MM207438;CCc1cc(CF)co1;DDRDULLUJJSSLJ-UHFFFAOYSA-N;128.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207439;MM207439;OCc1cc(CF)co1;QHVSGHDOHBSYBX-UHFFFAOYSA-N;130.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207440;MM207440;FCc1coc(CF)c1;GWAJCRWXJBDJDM-UHFFFAOYSA-N;132.11;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207441;MM207441;CCc1coc(NC)c1;JNIGETQHJQKSRB-UHFFFAOYSA-N;125.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207442;MM207442;CNc1cc(CN)co1;YBIVHBQVYLJWGO-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207443;MM207443;CNc1cc(CO)co1;VPVDXFIUIOKXCF-UHFFFAOYSA-N;127.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207444;MM207444;CNc1cc(CF)co1;XVYBHUXRITWPMQ-UHFFFAOYSA-N;129.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207445;MM207445;CCc1coc(OC)c1;YWFOMOKYCSUEQD-UHFFFAOYSA-N;126.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207446;MM207446;COc1cc(CN)co1;UVSJKQBVVPULEH-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207447;MM207447;COc1cc(CO)co1;SQTYJLJBKLUPAZ-UHFFFAOYSA-N;128.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207448;MM207448;COc1cc(CF)co1;ZUQFBMIZSLPCHF-UHFFFAOYSA-N;130.12;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207449;MM207449;CCc1cc(NC)co1;BIFMGTZNPRCWHJ-UHFFFAOYSA-N;125.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207450;MM207450;CNc1coc(CO)c1;SYEXRBGKLMYEKM-UHFFFAOYSA-N;127.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207451;MM207451;CNc1coc(CF)c1;INFVFRSCMPANSH-UHFFFAOYSA-N;129.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207452;MM207452;CNN=COCC=O;RLPRASHEYIDIER-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207453;MM207453;CNc1coc(OC)c1;XNVJYMCHMWKPIU-UHFFFAOYSA-N;127.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207454;MM207454;CCc1cc(OC)co1;VWKXPSWFPXKPOT-UHFFFAOYSA-N;126.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207455;MM207455;COc1coc(CO)c1;ISRBGQYORQCISR-UHFFFAOYSA-N;128.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207456;MM207456;COc1coc(CF)c1;MPFFSDNBJGFOSL-UHFFFAOYSA-N;130.12;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207457;MM207457;CNc1cc(OC)co1;DNCLTKFMTCCOMH-UHFFFAOYSA-N;127.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207458;MM207458;COc1coc(OC)c1;JWLVLURLFKNBDI-UHFFFAOYSA-N;128.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207459;MM207459;CN1CC(C#N)(CO)C1;OJNNXPIYHBSLBU-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207460;MM207460;CC(CO)=NOCCO;NTQWCWDGOVSBHG-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207461;MM207461;CCc1cc(CN)[nH]n1;QBUQWOXNOUFIGB-UHFFFAOYSA-N;125.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207462;MM207462;CC1C(=O)OC(=O)N1N;GQFXRZJBZWNXSQ-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207463;MM207463;CC1CC(=O)C(=N)N1O;PLVKBIOJFUGNBR-UHFFFAOYSA-N;128.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207464;MM207464;NCc1cc(CN)[nH]n1;SROLPISZZRIWCU-UHFFFAOYSA-N;126.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207465;MM207465;OCc1cc(CO)[nH]n1;CEMYSBRDJZPNNC-UHFFFAOYSA-N;128.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207466;MM207466;OCc1cc(CF)n[nH]1;SZQXQZSZMSBWEK-UHFFFAOYSA-N;130.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207467;MM207467;FCc1cc(CF)[nH]n1;AATMNNCOUQFZEF-UHFFFAOYSA-N;132.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207468;MM207468;C=C1N=C(N)C(=O)C1C;OVQVGBQRVLKHKS-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207469;MM207469;CCc1cc(OC)[nH]n1;CXZLYUTWZCVUFA-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207470;MM207470;N#CC1CC2(O)CC2N1;KQMURYYVPUZJOX-UHFFFAOYSA-N;124.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207471;MM207471;COc1cc(CF)[nH]n1;AKZJREQOUHMOIW-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207472;MM207472;C=NN1CC2CC2(O)C1;GJWPSOORDXJCHL-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207473;MM207473;C=COc1cc(C)[nH]n1;KFODWJTZDVOGLS-UHFFFAOYSA-N;124.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207474;MM207474;COc1cc(OC)[nH]n1;QXXCDDWJKVBBAF-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207475;MM207475;CCc1cc(CC)on1;DKYABUUVVXHJJG-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207476;MM207476;CCc1cc(CO)on1;PUWYXPHAQNCKLQ-UHFFFAOYSA-N;127.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207477;MM207477;CCc1cc(CF)on1;OZMQPCVFRXOBGB-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207478;MM207478;CCc1cc(CO)no1;FTWTWOICXAENQE-UHFFFAOYSA-N;127.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207479;MM207479;OCc1cc(CO)on1;GFDMTBMPCVRYEG-UHFFFAOYSA-N;129.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207480;MM207480;OCc1cc(CF)on1;GAFUTHBGKQSACU-UHFFFAOYSA-N;131.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207481;MM207481;CCc1cc(CF)no1;METGYFQPPAJWPJ-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207482;MM207482;OCc1cc(CF)no1;KXKKEUDHBGFTDD-UHFFFAOYSA-N;131.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207483;MM207483;FCc1cc(CF)on1;GBUWLEUXNNCDED-UHFFFAOYSA-N;133.1;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207484;MM207484;CN=c1cc(CN)[nH]o1;BXPCLYPOIYXQGP-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207485;MM207485;CCc1cc(OC)on1;HRIQSFQVKYAACL-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207486;MM207486;COc1cc(CO)no1;ZAIKUEUXKUXTHX-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207487;MM207487;COc1cc(CF)no1;NVZSVBUXBLMFJS-UHFFFAOYSA-N;131.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207488;MM207488;CCc1cc(OC)no1;OSKWHSOCSWSDCX-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207489;MM207489;COc1cc(CO)on1;DIIVXOUBNHJXED-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207490;MM207490;COc1cc(CF)on1;NCTQGILNHSPLKX-UHFFFAOYSA-N;131.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207491;MM207491;CNc1[nH]cc(F)c1F;YAEOJRGZYICNEB-UHFFFAOYSA-N;132.11;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207492;MM207492;COc1cc(OC)on1;GVGLNSGGSOSGPC-UHFFFAOYSA-N;129.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207493;MM207493;CNc1nc(CN)c[nH]1;GOQDDAXPQLOUCX-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207494;MM207494;CC(C)(O)C=NN=CNN;OALXIUURTCCDCW-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207495;MM207495;COc1nc(CO)c[nH]1;HFYVMIPFINKYDX-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207496;MM207496;COc1nc(CF)c[nH]1;DTVALPSTCMWCJQ-UHFFFAOYSA-N;130.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207497;MM207497;C=C(C)C(C)(O)CC=NN;JZVGTVJNOHEITK-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207498;MM207498;CC(=NN(C)C)OCC=O;YVRFXOZVHCMQAE-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207499;MM207499;COc1c[nH]c(OC)n1;MIOZJMOCCMYLQH-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207500;MM207500;CCc1coc(CC)n1;XIRWXQAIUBUNOH-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207501;MM207501;CCc1coc(CO)n1;QUFODMQKAZKTQI-UHFFFAOYSA-N;127.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207502;MM207502;CCc1coc(CF)n1;JNMMWFUTZUJCKF-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207503;MM207503;CCc1nc(CO)co1;CQYXJTGTKNADHN-UHFFFAOYSA-N;127.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207504;MM207504;OCc1coc(CO)n1;XFHPBCYOUPGSSE-UHFFFAOYSA-N;129.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207505;MM207505;OCc1coc(CF)n1;RNSDKDAOGWJATI-UHFFFAOYSA-N;131.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207506;MM207506;CCc1nc(CF)co1;LMJGEJWALJQWCI-UHFFFAOYSA-N;129.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207507;MM207507;OCc1nc(CF)co1;ABBFPNTWQOQXBD-UHFFFAOYSA-N;131.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207508;MM207508;FCc1coc(CF)n1;KVLCRBCMKPCVQK-UHFFFAOYSA-N;133.1;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207509;MM207509;C=C(C=NOC(N)=O)CC;YABRVLTZELOGOG-UHFFFAOYSA-N;142.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207510;MM207510;CNc1nc(CO)co1;BXBMVDRSAJBPLH-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207511;MM207511;CNc1nc(CF)co1;JYLXWCLNDVONSD-UHFFFAOYSA-N;130.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207512;MM207512;CCc1coc(OC)n1;CQZVQZBCCIYOAN-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207513;MM207513;COc1nc(CO)co1;IJVVSHGPRQFKJH-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207514;MM207514;COc1nc(CF)co1;SJGWPWMFMFYNHR-UHFFFAOYSA-N;131.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207515;MM207515;COCC(O)CC(C)=NN;XKDBJYMGALKEED-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207516;MM207516;CNc1coc(CO)n1;IIVREIZFVGXSMD-UHFFFAOYSA-N;128.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207517;MM207517;Cc1nc(=N)cc(CO)o1;VUCNGFBSOYEYRL-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207518;MM207518;CCC=CC=NOC(N)=O;ZEMXIOKXNKDUCN-UHFFFAOYSA-N;142.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207519;MM207519;CNc1coc(OC)n1;XGYOTNQRMUGIBU-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207520;MM207520;CCc1nc(OC)co1;IMYKSHPMJXAYPY-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207521;MM207521;COc1coc(CO)n1;JBHRCRGUXVDMMF-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207522;MM207522;COc1coc(CF)n1;QIMYKKQVGIIYJP-UHFFFAOYSA-N;131.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207523;MM207523;CNc1nc(OC)co1;FLVWDRDSIBJVMY-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207524;MM207524;COc1coc(OC)n1;VWUDLRVXBCNNAK-UHFFFAOYSA-N;129.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207525;MM207525;COC1=NCC(=NO)N1;LNEWTVOYRQIDEH-UHFFFAOYSA-N;129.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207526;MM207526;CCc1n[nH]c(CO)n1;MHPSRAZVFRZKCR-UHFFFAOYSA-N;127.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207527;MM207527;C=NNC=NC(=C)C(C)O;XOEWSGPSHVLSMT-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207528;MM207528;CNc1nc(CO)n[nH]1;CUIGFTZSLRXVFQ-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207529;MM207529;CNc1nc(CF)n[nH]1;LPMYMWTZJGYARH-UHFFFAOYSA-N;130.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207530;MM207530;N=C(C(N)=O)N(O)CCO;LFZGUDHJGVBHOF-UHFFFAOYSA-N;147.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207531;MM207531;CNc1n[nH]c(OC)n1;HCBAWPLYHAUVBZ-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207532;MM207532;CNc1nc(OC)n[nH]1;HCBAWPLYHAUVBZ-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207533;MM207533;CCc1noc(CC)n1;HOJVLDSGRUPRMU-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207534;MM207534;CCc1noc(CO)n1;XCFHOYKWHOGMNG-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207535;MM207535;CCc1noc(CF)n1;VNCHIRJWTQLYHW-UHFFFAOYSA-N;130.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207536;MM207536;CCc1nc(CO)no1;RGTPYSSBXLVYCU-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207537;MM207537;OCc1noc(CO)n1;OWJKDDSCEMXZEF-UHFFFAOYSA-N;130.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207538;MM207538;OCc1noc(CF)n1;DGICVGNQNJKWMI-UHFFFAOYSA-N;132.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207539;MM207539;CCc1nc(CF)no1;JHACUGJJFBQSNE-UHFFFAOYSA-N;130.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207540;MM207540;OCc1nc(CF)no1;CONWJJVDBSPLJP-UHFFFAOYSA-N;132.09;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207541;MM207541;FCc1noc(CF)n1;GBISDCRUXNKJPO-UHFFFAOYSA-N;134.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207542;MM207542;CCc1noc(NC)n1;CNWGVLTYYZMPBU-UHFFFAOYSA-N;127.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207543;MM207543;CNc1nc(CO)no1;RTMYNXIGCXEGLU-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207544;MM207544;CNc1nc(CF)no1;VTPDNQVZFCCIIT-UHFFFAOYSA-N;131.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207545;MM207545;CCc1noc(OC)n1;XOBNALFBHNGTTO-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207546;MM207546;COc1nc(CO)no1;DYESGSTYTDIXMW-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207547;MM207547;COc1nc(CF)no1;QNDJENTVJFDEGA-UHFFFAOYSA-N;132.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207548;MM207548;CCc1nc(NC)no1;FAENUVKYWMYSPD-UHFFFAOYSA-N;127.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207549;MM207549;CNc1noc(CO)n1;OZRIQATZCQXCBD-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207550;MM207550;CNc1noc(CF)n1;APHJJXLIKZVYKE-UHFFFAOYSA-N;131.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207551;MM207551;CNc1noc(NC)n1;YWAJGKNMIXPIQK-UHFFFAOYSA-N;128.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207552;MM207552;CNc1noc(OC)n1;JUFIEKBVUCLEPB-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207553;MM207553;CCc1nc(OC)no1;SRNFSAMJIVKZTR-UHFFFAOYSA-N;128.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207554;MM207554;COc1noc(CO)n1;OYXAAVOOGQGXPK-UHFFFAOYSA-N;130.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207555;MM207555;COc1noc(CF)n1;LBWKJHGWCDERRZ-UHFFFAOYSA-N;132.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207556;MM207556;CNc1nc(OC)no1;RIWBBFAPZNSBLX-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207557;MM207557;COc1noc(OC)n1;JWKYXBDVKAGZIT-UHFFFAOYSA-N;130.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207558;MM207558;C=CC1=CC(CC)=CC1;WHNXDWJACNBORB-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207559;MM207559;CCC1=CCC(C=O)=C1;HHLVJNOZGHQAST-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207560;MM207560;CCC1=CCC(C#N)=C1;YAJTZKURYIGPMC-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207561;MM207561;C=CC1=CC(CN)=CC1;JRNSHYODKIGFTK-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207562;MM207562;C=CC1=CC(CO)=CC1;CLOUABYLFZKQHA-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207563;MM207563;O=CC1=CC(CO)=CC1;SOYJGCJGPQXVAV-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207564;MM207564;N#CC1=CC(CO)=CC1;ANHZCQNNHXWPAU-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207565;MM207565;C=CC1=CC(CF)=CC1;LOGQQCZPWFUZKC-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207566;MM207566;O=CC1=CC(CF)=CC1;DXMYNAWLLVXYTL-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207567;MM207567;N#CC1=CC(CF)=CC1;HJDQNLCDFGMKIU-UHFFFAOYSA-N;123.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207568;MM207568;C=CC1=CC(OC)=CC1;NRKDSKUGHTXUBC-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207569;MM207569;COC1=CCC(C=O)=C1;DURBLHKJMXUVOQ-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207570;MM207570;COC1=CCC(C#N)=C1;AUKCFQCGYWWQEE-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207571;MM207571;C=Cc1cc(CC)c[nH]1;HNLUKDKVTCQIGN-UHFFFAOYSA-N;121.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207572;MM207572;CCc1c[nH]c(C#N)c1;GFSJIVYGWBCYRA-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207573;MM207573;C=Cc1cc(CN)c[nH]1;BSOCGRVKUJBZSH-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207574;MM207574;C=Cc1cc(CO)c[nH]1;RBNZXPAJHWBYLA-UHFFFAOYSA-N;123.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207575;MM207575;N#Cc1cc(CO)c[nH]1;VYQCFOXDDFUUAA-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207576;MM207576;C=Cc1cc(CF)c[nH]1;JHBYXCJAGMWICZ-UHFFFAOYSA-N;125.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207577;MM207577;N#Cc1cc(CF)c[nH]1;BSQMNJUGHLKKLY-UHFFFAOYSA-N;124.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207578;MM207578;CC(CO)(CO)N(N)C=O;AIPVPDSIQMBJLD-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207579;MM207579;CC=NNC(C)(CO)CO;DBLFSAWWSWCIPL-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207580;MM207580;C=Cc1cc(OC)c[nH]1;QHZWGISDDVZXDD-UHFFFAOYSA-N;123.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207581;MM207581;CC(O)CC(C)CC(=O)O;HJLPVENTLIFNCO-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207582;MM207582;COc1c[nH]c(C#N)c1;CCJBGDVPUIBGNJ-UHFFFAOYSA-N;122.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207583;MM207583;C=Cc1cc(CC)co1;WPRWDSRTTXWAJX-UHFFFAOYSA-N;122.17;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207584;MM207584;CCc1coc(C=O)c1;KYOQLZOZPDVYCB-UHFFFAOYSA-N;124.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207585;MM207585;CCc1coc(C#N)c1;CVACBBFEEGRDMS-UHFFFAOYSA-N;121.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207586;MM207586;C=Cc1cc(CN)co1;AMNXJOKTAKZKDU-UHFFFAOYSA-N;123.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207587;MM207587;C=Cc1cc(CO)co1;SYVVHJMJSANBEC-UHFFFAOYSA-N;124.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207588;MM207588;O=Cc1cc(CO)co1;GYQBROOJXNICMZ-UHFFFAOYSA-N;126.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207589;MM207589;N#Cc1cc(CO)co1;QXTCAWUGXHPIIY-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207590;MM207590;C=Cc1cc(CF)co1;ZJTINUILCBXAHG-UHFFFAOYSA-N;126.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207591;MM207591;O=Cc1cc(CF)co1;OBLHJAUETJVIOQ-UHFFFAOYSA-N;128.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207592;MM207592;N#Cc1cc(CF)co1;OBQSBSAOSKXIHS-UHFFFAOYSA-N;125.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207593;MM207593;C=Cc1cc(NC)co1;HZUWSWNWVIPJAU-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207594;MM207594;CNc1coc(C=O)c1;JJFGKYGHYKEPSV-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207595;MM207595;CNc1coc(C#N)c1;LNIAXBMOIUKIQS-UHFFFAOYSA-N;122.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207596;MM207596;C=Cc1cc(OC)co1;SXXFNBMQJVSYHD-UHFFFAOYSA-N;124.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207597;MM207597;COc1coc(C=O)c1;ICBJXPCILFXJID-UHFFFAOYSA-N;126.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207598;MM207598;COc1coc(C#N)c1;XDLCHOILOKLQBO-UHFFFAOYSA-N;123.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207599;MM207599;C#CC(C=C)(CO)NN=C;FMPQOVAJXAWVCD-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207600;MM207600;CC(C)(CO)CCC(=O)O;RAFJTJDWOLSPLN-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207601;MM207601;CCc1cc(C#N)[nH]n1;GIOKUVXDWGQCRF-UHFFFAOYSA-N;121.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207602;MM207602;N#CC(CO)NC(=N)CF;WMCZEBVRVDPILV-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207603;MM207603;CC(O)C(C)CCC(=O)O;SBBKRBOBPXADPI-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207604;MM207604;N#Cc1cc(CO)[nH]n1;ZQQLHRAUIVGQTF-UHFFFAOYSA-N;123.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207605;MM207605;C=Cc1cc(CF)n[nH]1;AMRFUDXIGPDKIA-UHFFFAOYSA-N;126.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207606;MM207606;CC(C)(O)CCCC(=O)O;AEXLMBPGSBBPPF-UHFFFAOYSA-N;146.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207607;MM207607;N#Cc1cc(CF)n[nH]1;HDEQHWCFBODMRW-UHFFFAOYSA-N;125.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207608;MM207608;COC(=N)NC(C#N)CO;HQPJBDKTYYDYSB-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207609;MM207609;Nc1c(O)nn(O)c1O;OCNZBKYQOHEFQZ-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207610;MM207610;C=Cc1cc(CC)no1;YUDKNVVBYNOWLX-UHFFFAOYSA-N;123.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207611;MM207611;CCc1cc(C=O)on1;AEPZJXAUBJAZMK-UHFFFAOYSA-N;125.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207612;MM207612;CCc1cc(C#N)on1;JDLXCIXVOCNMRJ-UHFFFAOYSA-N;122.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207613;MM207613;C=Cc1cc(CO)no1;FIFWGDLJWMRSQI-UHFFFAOYSA-N;125.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207614;MM207614;O=Cc1cc(CO)no1;XNMKQPDNELBFLH-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207615;MM207615;N#Cc1cc(CO)no1;MLCNTFCPMBMQFV-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207616;MM207616;C=Cc1cc(CF)no1;CBHLSCRVEMELHB-UHFFFAOYSA-N;127.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207617;MM207617;O=Cc1cc(CF)no1;FPUYVXYYRAWKTR-UHFFFAOYSA-N;129.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207618;MM207618;N#Cc1cc(CF)no1;VYISROQIIZXDOB-UHFFFAOYSA-N;126.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207619;MM207619;C=Cc1cc(OC)no1;JFQUCBPDGBNXHY-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207620;MM207620;COc1cc(C=O)on1;RTERJXLQLXVRLO-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207621;MM207621;COc1cc(C#N)on1;QFUZGBYWOYUFIS-UHFFFAOYSA-N;124.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207622;MM207622;C=Cc1nc(CC)co1;WMJWLVFACNIWPD-UHFFFAOYSA-N;123.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207623;MM207623;CCc1coc(C=O)n1;NTBDUELOCYUWAZ-UHFFFAOYSA-N;125.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207624;MM207624;CCc1coc(C#N)n1;ZDPXOINUFKANPG-UHFFFAOYSA-N;122.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207625;MM207625;C=Cc1nc(CO)co1;GHOPCQINLCPYKS-UHFFFAOYSA-N;125.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207626;MM207626;O=Cc1nc(CO)co1;BUIBOGACMBQAAI-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207627;MM207627;N#Cc1nc(CO)co1;DGZZSOISUYQNFZ-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207628;MM207628;C=Cc1nc(CF)co1;AQKQXEIVECKQAF-UHFFFAOYSA-N;127.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207629;MM207629;O=Cc1nc(CF)co1;HPMNZFHPSDFJET-UHFFFAOYSA-N;129.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207630;MM207630;N#Cc1nc(CF)co1;SXIYIFPWZQKXQX-UHFFFAOYSA-N;126.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207631;MM207631;N#CC(=N)NC(C#N)CO;WBGFXASCUDSJQA-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207632;MM207632;CNc1coc(C=O)n1;ULHHSNLENNMNHO-UHFFFAOYSA-N;126.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207633;MM207633;CNc1coc(C#N)n1;HWFZCOZOBLHMKE-UHFFFAOYSA-N;123.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207634;MM207634;C=Cc1nc(OC)co1;OVWCKIOCTARXSO-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207635;MM207635;COc1coc(C=O)n1;GUZPPYVJTISXJA-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207636;MM207636;COc1coc(C#N)n1;ITANIJGMMGVBSR-UHFFFAOYSA-N;124.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207637;MM207637;C=Cc1nc(CC)no1;WJRDYDGJKAJVNI-UHFFFAOYSA-N;124.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207638;MM207638;CCc1noc(C=O)n1;WPUVIBWDYJUHQW-UHFFFAOYSA-N;126.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207639;MM207639;CCc1noc(C#N)n1;HSJUGVPLLNDNNW-UHFFFAOYSA-N;123.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207640;MM207640;C=Cc1nc(CO)no1;KHCGIEVPYARLTP-UHFFFAOYSA-N;126.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207641;MM207641;O=Cc1nc(CO)no1;KPXNJLWVUOKYOQ-UHFFFAOYSA-N;128.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207642;MM207642;N#Cc1nc(CO)no1;RDTWNJXRMNZWDL-UHFFFAOYSA-N;125.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207643;MM207643;C=Cc1nc(CF)no1;PDLAWQIPOWOAFA-UHFFFAOYSA-N;128.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207644;MM207644;O=Cc1nc(CF)no1;GUOXFIWRWRYCKW-UHFFFAOYSA-N;130.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207645;MM207645;N#Cc1nc(CF)no1;QHDBGLRFHFBAKB-UHFFFAOYSA-N;127.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207646;MM207646;C=Cc1nc(NC)no1;CKGKXFCAOYQSGJ-UHFFFAOYSA-N;125.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207647;MM207647;CNc1noc(C=O)n1;LSCWOJCAJVDMPH-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207648;MM207648;CNc1noc(C#N)n1;KLAWMQPTORMFIH-UHFFFAOYSA-N;124.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207649;MM207649;C=Cc1nc(OC)no1;ZMVXWUBMBHZVAE-UHFFFAOYSA-N;126.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207650;MM207650;COc1noc(C=O)n1;IVDUQUFHYGBNOM-UHFFFAOYSA-N;128.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207651;MM207651;COc1noc(C#N)n1;DVJSYHIXRPUVMS-UHFFFAOYSA-N;125.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207652;MM207652;C#CC1=CC(CC)=CC1;RGYOIFQZFWNWLI-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207653;MM207653;C#CC1=CC(CN)=CC1;AOAMUJLFKPBXQV-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207654;MM207654;C#CC1=CC(CO)=CC1;NLXUNCOQUUJQSW-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207655;MM207655;C#CC1=CC(CF)=CC1;YJNXATPVKNDXQY-UHFFFAOYSA-N;122.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207656;MM207656;C#CC1=CC(OC)=CC1;OTUGDYKWKQAEBJ-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207657;MM207657;C#Cc1cc(CC)c[nH]1;GOYMBEKKQSFVBK-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207658;MM207658;C#Cc1cc(CN)c[nH]1;MKRMGNRDCSPOFS-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207659;MM207659;C#Cc1cc(CO)c[nH]1;DYHCHPXIJMWHSX-UHFFFAOYSA-N;121.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207660;MM207660;C#Cc1cc(CF)c[nH]1;KETDPQTZTDILSI-UHFFFAOYSA-N;123.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207661;MM207661;CC(O)COC(=NN)NO;OCDYDMFIZJWKNZ-UHFFFAOYSA-N;149.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207662;MM207662;C#Cc1cc(OC)c[nH]1;ZSLDQMDFBZZXFR-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207663;MM207663;C#Cc1cc(CC)co1;MKMPQSSLWWVASD-UHFFFAOYSA-N;120.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207664;MM207664;C#Cc1cc(CN)co1;DZOVVZZUAAAJQN-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207665;MM207665;C#Cc1cc(CO)co1;LYRMQWISUPLGIO-UHFFFAOYSA-N;122.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207666;MM207666;C#Cc1cc(CF)co1;GXORTEKTZRIHKY-UHFFFAOYSA-N;124.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207667;MM207667;C#Cc1cc(NC)co1;VDVUHXIGNGEUQK-UHFFFAOYSA-N;121.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207668;MM207668;C#Cc1cc(OC)co1;RNTKIDKZWIKASM-UHFFFAOYSA-N;122.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207669;MM207669;NN=C(CO)CNC(N)=O;YXCHKXGOQWDYFE-UHFFFAOYSA-N;146.15;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207670;MM207670;NN=C(CO)COC(N)=O;DMZFCBMBDAMGRW-UHFFFAOYSA-N;147.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207671;MM207671;C#Cc1cc(CF)n[nH]1;KUWJSXNSYRUZAW-UHFFFAOYSA-N;124.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207672;MM207672;C#Cc1cc(OC)n[nH]1;RJDNLTJXCOCXML-UHFFFAOYSA-N;122.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207673;MM207673;C#Cc1cc(CC)no1;AVANSLQRXSRLKC-UHFFFAOYSA-N;121.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207674;MM207674;C#Cc1cc(CO)no1;LRMVGWZVUQCMMK-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207675;MM207675;C#Cc1cc(CF)no1;YTJYYQVZWNSKEN-UHFFFAOYSA-N;125.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207676;MM207676;C#Cc1cc(OC)no1;GBYCHMXLLDZGTO-UHFFFAOYSA-N;123.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207677;MM207677;C#Cc1nc(CC)co1;DOWCHMLFSLYSJG-UHFFFAOYSA-N;121.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207678;MM207678;C#Cc1nc(CO)co1;KKUHGTFFJIRBFJ-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207679;MM207679;C#Cc1nc(CF)co1;ZGQZGNAWKOKEBU-UHFFFAOYSA-N;125.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207680;MM207680;CCN1CC(C#N)(CO)C1;GGFJWXNUPIRINB-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207681;MM207681;C#Cc1nc(OC)co1;GHOGUMOJGLTOBT-UHFFFAOYSA-N;123.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207682;MM207682;C#Cc1nc(CC)no1;PQHLMNJVPTWVFC-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207683;MM207683;C#Cc1nc(CO)no1;RSJVTVHDIRLTAJ-UHFFFAOYSA-N;124.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207684;MM207684;C#Cc1nc(CF)no1;MCWIXHQYCKTQLD-UHFFFAOYSA-N;126.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207685;MM207685;C#Cc1nc(NC)no1;VXSAVEGLEDAFPB-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207686;MM207686;C#Cc1nc(OC)no1;JKBVHZBQZLPNTD-UHFFFAOYSA-N;124.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207687;MM207687;C=CC1=CCC(CC)=C1;WDJZKVXQFGFNJD-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207688;MM207688;C=CC1=CCC(CN)=C1;SBLCQNVFGRVZNG-UHFFFAOYSA-N;121.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207689;MM207689;C=CC1=CCC(CO)=C1;BKVMGXAWKOOZOV-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207690;MM207690;C=CC1=CCC(CF)=C1;GSZNWPYFPISMHZ-UHFFFAOYSA-N;124.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207691;MM207691;CCC1=CC(C=O)=CC1;ZJUHQJTWSCXMSH-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207692;MM207692;CCC1=CC(C#N)=CC1;LHPKBRSHXTWPGE-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207693;MM207693;O=CC1=CCC(CO)=C1;YMCZSYSFBZYSQX-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207694;MM207694;N#CC1=CCC(CO)=C1;BIHSCVJCEGTWHT-UHFFFAOYSA-N;121.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207695;MM207695;O=CC1=CCC(CF)=C1;PQWWMWLKZSMOEM-UHFFFAOYSA-N;126.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207696;MM207696;N#CC1=CCC(CF)=C1;WLOFUGYAXOXGLH-UHFFFAOYSA-N;123.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207697;MM207697;C=CC1=CCC(OC)=C1;YBLFLLAYZBBCHG-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207698;MM207698;COC1=CC(C=O)=CC1;YAFVNTGBJCOXFH-UHFFFAOYSA-N;124.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207699;MM207699;COC1=CC(C#N)=CC1;SESCWYUOCAKKCC-UHFFFAOYSA-N;121.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207700;MM207700;C=Cc1c[nH]c(CC)c1;VWEWGYLDJWNFOU-UHFFFAOYSA-N;121.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207701;MM207701;C=Cc1c[nH]c(CN)c1;JEHCOANLVQDELC-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207702;MM207702;C=Cc1c[nH]c(CO)c1;MFRREVNJEGEVNM-UHFFFAOYSA-N;123.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207703;MM207703;C=Cc1c[nH]c(CF)c1;FXGLEQFMPIZOOW-UHFFFAOYSA-N;125.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207704;MM207704;CCc1cc(C#N)c[nH]1;KVKRCPKZCAVCNI-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207705;MM207705;N#Cc1c[nH]c(CO)c1;HJYCLIXDAGGKDJ-UHFFFAOYSA-N;122.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207706;MM207706;N#Cc1c[nH]c(CF)c1;ZUVLKFXCPXUUKF-UHFFFAOYSA-N;124.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207707;MM207707;CC(CF)N(O)C(=N)CF;FEWDIYUYHVZABB-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207708;MM207708;NN=CC=C(CO)OC=O;SKEBXMXXRLZCQG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207709;MM207709;NC(=O)C(CO)N=CNO;GPYPOVCMKYOIPV-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207710;MM207710;C=Cc1c[nH]c(OC)c1;RQCHRONHKWNBSR-UHFFFAOYSA-N;123.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207711;MM207711;N=c1[nH]c(=O)nnn1O;HBJYRMNSMGQJNN-UHFFFAOYSA-N;129.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207712;MM207712;COc1cc(C#N)c[nH]1;MDFKLUAGNSBIKB-UHFFFAOYSA-N;122.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207713;MM207713;C=Cc1coc(CC)c1;JMRIYWKEEOACOZ-UHFFFAOYSA-N;122.17;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207714;MM207714;C=Cc1coc(CO)c1;YTIXSIPCTFIPDA-UHFFFAOYSA-N;124.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207715;MM207715;C=Cc1coc(CF)c1;CLTBMKRGFGTTQM-UHFFFAOYSA-N;126.13;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207716;MM207716;CCc1cc(C=O)co1;CHYMEBLKZJITJF-UHFFFAOYSA-N;124.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207717;MM207717;CCc1cc(C#N)co1;KSCBITMZZYZKNI-UHFFFAOYSA-N;121.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207718;MM207718;O=Cc1coc(CO)c1;SVYOBIPOZJBHSZ-UHFFFAOYSA-N;126.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207719;MM207719;N#Cc1coc(CO)c1;PPPPJFDWESULFP-UHFFFAOYSA-N;123.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207720;MM207720;O=Cc1coc(CF)c1;SUYYYPRDGTVFHD-UHFFFAOYSA-N;128.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207721;MM207721;N#Cc1coc(CF)c1;FEVPQUFBIUMVAS-UHFFFAOYSA-N;125.1;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207722;MM207722;C=Cc1coc(NC)c1;WNNVYTPNNAZJBF-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207723;MM207723;CNc1cc(C=O)co1;QGKPMPGQYPWNRM-UHFFFAOYSA-N;125.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207724;MM207724;CNc1cc(C#N)co1;JSZRTAIHEFLUMN-UHFFFAOYSA-N;122.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207725;MM207725;C=Cc1coc(OC)c1;OHJJJDMICPNANS-UHFFFAOYSA-N;124.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207726;MM207726;COc1cc(C=O)co1;PZLNRBBEFOCQCM-UHFFFAOYSA-N;126.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207727;MM207727;COc1cc(C#N)co1;ZMQXKXSHJFUXRZ-UHFFFAOYSA-N;123.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207728;MM207728;C=Cc1cc(CC)on1;ALENBMIQRILIQO-UHFFFAOYSA-N;123.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207729;MM207729;C=Cc1cc(CO)on1;RNTLJHASBJTKRK-UHFFFAOYSA-N;125.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207730;MM207730;C=Cc1cc(CF)on1;ZRYDREHOISTHNR-UHFFFAOYSA-N;127.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207731;MM207731;CCc1cc(C=O)no1;PEIUQQRFQZZTDD-UHFFFAOYSA-N;125.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207732;MM207732;CCc1cc(C#N)no1;CULRSCDPSXRFSM-UHFFFAOYSA-N;122.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207733;MM207733;O=Cc1cc(CO)on1;ATBNGULVUAYJHH-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207734;MM207734;N#Cc1cc(CO)on1;DRVXDIJRCNFTCS-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207735;MM207735;O=Cc1cc(CF)on1;GCDBFCJUOWDPDP-UHFFFAOYSA-N;129.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207736;MM207736;N#Cc1cc(CF)on1;ALYQVNGHPPKDDM-UHFFFAOYSA-N;126.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207737;MM207737;ON=c1nc[nH]c(=NO)o1;RJXYQONAIWZFRX-UHFFFAOYSA-N;144.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207738;MM207738;C=Cc1cc(OC)on1;HVIMMQVQCQTWHY-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207739;MM207739;COc1cc(C=O)no1;HSKWJRXWLBGRPX-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207740;MM207740;COc1cc(C#N)no1;OMNMSYDNQFNRMK-UHFFFAOYSA-N;124.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207741;MM207741;Cn1nnc(=N)c(NO)n1;AGOJIHLAGTXIHK-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207742;MM207742;N#Cc1c[nH]c(CO)n1;QESQNOWGAWLUFW-UHFFFAOYSA-N;123.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207743;MM207743;N#CC(CO)NCCCO;MCTUFHUDIUYZFG-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207744;MM207744;CNc1nc(C#N)c[nH]1;ZNHJSOSKGDAKDZ-UHFFFAOYSA-N;122.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207745;MM207745;C=Cc1c[nH]c(OC)n1;WNXLXVHFAONDNE-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207746;MM207746;COc1nc(C#N)c[nH]1;AMYAWHHVCCECSY-UHFFFAOYSA-N;123.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207747;MM207747;C=Cc1coc(CC)n1;RKWBZQWVCISPGW-UHFFFAOYSA-N;123.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207748;MM207748;C=Cc1coc(CO)n1;XCZZCZGSMNRGPU-UHFFFAOYSA-N;125.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207749;MM207749;C=Cc1coc(CF)n1;LQNNSDZZWSWHSP-UHFFFAOYSA-N;127.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207750;MM207750;CCc1nc(C=O)co1;NHTFQDQNVJSERM-UHFFFAOYSA-N;125.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207751;MM207751;CCc1nc(C#N)co1;YPOZVWLHEUVBOX-UHFFFAOYSA-N;122.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207752;MM207752;O=Cc1coc(CO)n1;JWLCEIBIBXETIA-UHFFFAOYSA-N;127.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207753;MM207753;N#Cc1coc(CO)n1;GQADZMLKEUBTKM-UHFFFAOYSA-N;124.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207754;MM207754;O=Cc1coc(CF)n1;IUXBJIIDYVLKDO-UHFFFAOYSA-N;129.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207755;MM207755;N#Cc1coc(CF)n1;AWERTQBFVYIIBJ-UHFFFAOYSA-N;126.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207756;MM207756;CON=CNC(C#N)CO;IUTHSXUWLYKFES-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207757;MM207757;CNc1nc(C=O)co1;AZCHXNCPFCIWAR-UHFFFAOYSA-N;126.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207758;MM207758;CNc1nc(C#N)co1;HIVHFZCERPBCLV-UHFFFAOYSA-N;123.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207759;MM207759;C=Cc1coc(OC)n1;HTUFHEFAXHTCGL-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207760;MM207760;COc1nc(C=O)co1;YJJFXRZOVCYMAX-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207761;MM207761;COc1nc(C#N)co1;MIYYTEYZOZRAMH-UHFFFAOYSA-N;124.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207762;MM207762;C=Cc1n[nH]c(NC)n1;MAXOOXPLSSWDND-UHFFFAOYSA-N;124.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207763;MM207763;CNc1nc(C=O)n[nH]1;DDKKYBGORAOAKS-UHFFFAOYSA-N;126.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207764;MM207764;CNc1nc(C#N)n[nH]1;PTVBAELEGXJPEX-UHFFFAOYSA-N;123.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207765;MM207765;C=Cc1noc(CC)n1;ZBMMEUCLWCSTTF-UHFFFAOYSA-N;124.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207766;MM207766;C=Cc1noc(CO)n1;RLKPYEXXLVYDAO-UHFFFAOYSA-N;126.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207767;MM207767;C=Cc1noc(CF)n1;XLUBYQRCANVJRB-UHFFFAOYSA-N;128.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207768;MM207768;CCc1nc(C=O)no1;UDGYIVSWQVICHK-UHFFFAOYSA-N;126.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207769;MM207769;CCc1nc(C#N)no1;XUJWGWXOBYDPJZ-UHFFFAOYSA-N;123.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207770;MM207770;O=Cc1noc(CO)n1;LSQHMBHPHBEABQ-UHFFFAOYSA-N;128.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207771;MM207771;N#Cc1noc(CO)n1;RPKNDZDUUBSUGO-UHFFFAOYSA-N;125.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207772;MM207772;O=Cc1noc(CF)n1;HDIRGNQYYBRGNR-UHFFFAOYSA-N;130.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207773;MM207773;N#Cc1noc(CF)n1;NVARXWNUMPRVCH-UHFFFAOYSA-N;127.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207774;MM207774;C=Cc1noc(NC)n1;IJNRPOIEUIIMOZ-UHFFFAOYSA-N;125.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207775;MM207775;CNc1nc(C=O)no1;LXHJRHHSHGRXSI-UHFFFAOYSA-N;127.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207776;MM207776;CNc1nc(C#N)no1;UWHWSDDONPTOCQ-UHFFFAOYSA-N;124.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207777;MM207777;C=Cc1noc(OC)n1;BCDRVBLHAUNPKX-UHFFFAOYSA-N;126.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207778;MM207778;COc1nc(C=O)no1;ZKNKDKWXLVKSNJ-UHFFFAOYSA-N;128.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207779;MM207779;COc1nc(C#N)no1;HNHXMRBUSQMFDC-UHFFFAOYSA-N;125.09;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207780;MM207780;C=CC1=CCC(C=C)=C1;DOYPJUSZEJNOCN-UHFFFAOYSA-N;118.18;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207781;MM207781;C=CC1=CCC(C=O)=C1;BNTMGQDCAREITF-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207782;MM207782;C=CC1=CCC(C#N)=C1;XURPFDQZXMYPFP-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207783;MM207783;C=CC1=CC(C=O)=CC1;MJRGPHABYIZTNZ-UHFFFAOYSA-N;120.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207784;MM207784;C=CC1=CC(C#N)=CC1;LRMQGKLXWVOOPF-UHFFFAOYSA-N;117.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207785;MM207785;O=CC1=CCC(C=O)=C1;CKYSYLQYVNEXDX-UHFFFAOYSA-N;122.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207786;MM207786;N#CC1=CC(C=O)=CC1;OYOJQVXURYLLAM-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207787;MM207787;N#CC1=CCC(C=O)=C1;FPCDAFAXRRNNEB-UHFFFAOYSA-N;119.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207788;MM207788;N#CC1=CCC(C#N)=C1;VEPRCMDQUCNDKY-UHFFFAOYSA-N;116.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207789;MM207789;C=Cc1c[nH]c(C=C)c1;VHJAYCXRTJZQNW-UHFFFAOYSA-N;119.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207790;MM207790;C=Cc1c[nH]c(C#N)c1;YCUVKQYHUDJXKZ-UHFFFAOYSA-N;118.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207791;MM207791;C=Cc1cc(C#N)c[nH]1;LYBZTSLRNVMELJ-UHFFFAOYSA-N;118.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207792;MM207792;CNN=c1nc(O)n(O)o1;XELBDSKAXHOQND-UHFFFAOYSA-N;146.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207793;MM207793;N#Cc1c[nH]c(=NO)o1;ZZJYIMUHFVUKDE-UHFFFAOYSA-N;125.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207794;MM207794;N#Cc1c[nH]c(C#N)c1;RYQGPAMUUQAEEM-UHFFFAOYSA-N;117.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207795;MM207795;C=Cc1coc(C=C)c1;GWQOJFOABPWFKQ-UHFFFAOYSA-N;120.15;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207796;MM207796;C=Cc1coc(C=O)c1;PPVKGKYHKXSMLK-UHFFFAOYSA-N;122.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207797;MM207797;C=Cc1coc(C#N)c1;AACWJQJGQQAHLH-UHFFFAOYSA-N;119.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207798;MM207798;C=Cc1cc(C=O)co1;PHYOYEHOJGASJD-UHFFFAOYSA-N;122.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207799;MM207799;C=Cc1cc(C#N)co1;ZWKBAJQIZRTSRN-UHFFFAOYSA-N;119.12;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207800;MM207800;O=Cc1coc(C=O)c1;VZFHZYTUWACMRI-UHFFFAOYSA-N;124.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207801;MM207801;N#Cc1coc(C=O)c1;OAGPJSFAZKOTIX-UHFFFAOYSA-N;121.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207802;MM207802;N#Cc1cc(C=O)co1;ILCQDENRTSSPRN-UHFFFAOYSA-N;121.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207803;MM207803;N#Cc1coc(C#N)c1;KVRQUVMOWKIMEL-UHFFFAOYSA-N;118.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207804;MM207804;NN=C(CO)COCCO;LDVZBOIRXPLGCV-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207805;MM207805;Nn1nc(O)cc1F;NAIDXYAIFANCQC-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207806;MM207806;C=Cc1cc(C#N)[nH]n1;WXDUMBCSSCCOCM-UHFFFAOYSA-N;119.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207807;MM207807;Nn1nc(F)cc1O;DUNNPZXKMLZTOI-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207808;MM207808;C=COC1=CC(=CO)C=N1;GPKYSAKDECDWBZ-UHFFFAOYSA-N;137.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207809;MM207809;C=Cc1cc(C=C)on1;NQPIRQPRRGGTJJ-UHFFFAOYSA-N;121.14;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207810;MM207810;C=Cc1cc(C=O)on1;BNSZNICOLSDNKA-UHFFFAOYSA-N;123.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207811;MM207811;C=Cc1cc(C#N)on1;TVFBSSHFCMVGFA-UHFFFAOYSA-N;120.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207812;MM207812;C=Cc1cc(C=O)no1;CPPWWQVVMXWMJZ-UHFFFAOYSA-N;123.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207813;MM207813;C=Cc1cc(C#N)no1;FECYIVFYRDUCLV-UHFFFAOYSA-N;120.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207814;MM207814;O=Cc1cc(C=O)on1;XCHWPUDNRVUHGP-UHFFFAOYSA-N;125.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207815;MM207815;N#Cc1cc(C=O)on1;VMADMYIBVWKFSQ-UHFFFAOYSA-N;122.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207816;MM207816;N#Cc1cc(C=O)no1;AFRQESYNJKSPDH-UHFFFAOYSA-N;122.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207817;MM207817;N#Cc1cc(C#N)on1;RZUOLQCUZSWZRB-UHFFFAOYSA-N;119.08;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207818;MM207818;C=Cc1coc(C=C)n1;TZKRLOSXDSXZOI-UHFFFAOYSA-N;121.14;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207819;MM207819;C=Cc1coc(C=O)n1;OBUOMUQJBJWHAO-UHFFFAOYSA-N;123.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207820;MM207820;C=Cc1coc(C#N)n1;BJDQSJGTLBXJCH-UHFFFAOYSA-N;120.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207821;MM207821;C=Cc1nc(C=O)co1;SVXWTAJGFHFSJU-UHFFFAOYSA-N;123.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207822;MM207822;C=Cc1nc(C#N)co1;KRCQDVLTHMSFKC-UHFFFAOYSA-N;120.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207823;MM207823;O=Cc1coc(C=O)n1;KRAFGGKJCQBDDW-UHFFFAOYSA-N;125.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207824;MM207824;N#Cc1nc(C=O)co1;IXDXIFBIHZQEOV-UHFFFAOYSA-N;122.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207825;MM207825;N#Cc1coc(C#N)n1;VBPUACBVQWMOJJ-UHFFFAOYSA-N;119.08;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207826;MM207826;C=Cc1noc(C=C)n1;REJMZBIRTSPFQF-UHFFFAOYSA-N;122.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207827;MM207827;C=Cc1noc(C=O)n1;LBVICRLCCPLLTO-UHFFFAOYSA-N;124.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207828;MM207828;C=Cc1noc(C#N)n1;JGJVENHHXIZUPG-UHFFFAOYSA-N;121.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207829;MM207829;C=Cc1nc(C=O)no1;FBZPJVBRPFWBOA-UHFFFAOYSA-N;124.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207830;MM207830;C=Cc1nc(C#N)no1;FRHKKQXJLRCBHJ-UHFFFAOYSA-N;121.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207831;MM207831;O=Cc1noc(C=O)n1;QLUYIEOTGDWBMW-UHFFFAOYSA-N;126.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207832;MM207832;N#Cc1noc(C=O)n1;PRIAVEBAPDFCFS-UHFFFAOYSA-N;123.07;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207833;MM207833;N#Cc1nc(C=O)no1;MGNIDXZJIZJOGQ-UHFFFAOYSA-N;123.07;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207834;MM207834;N#Cc1noc(C#N)n1;YHAXEOJORWWGDJ-UHFFFAOYSA-N;120.07;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207835;MM207835;C#CC1=CC(C=C)=CC1;CIIAPMWSNNKPQX-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207836;MM207836;C#CC1=CC(C=O)=CC1;GITHIGQARPJPLY-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207837;MM207837;C#CC1=CC(C#N)=CC1;FKBVAQCAFBRUOS-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207838;MM207838;C#Cc1cc(C=C)c[nH]1;RICDJDAVEFYLCD-UHFFFAOYSA-N;117.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207839;MM207839;C#Cc1cc(C#N)c[nH]1;YUIKGYZFOFSFBU-UHFFFAOYSA-N;116.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207840;MM207840;C#Cc1cc(C=C)co1;JJAFIMBXIXXWGN-UHFFFAOYSA-N;118.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207841;MM207841;C#Cc1cc(C=O)co1;XMICTYMDXJDCEH-UHFFFAOYSA-N;120.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207842;MM207842;C#Cc1cc(C#N)co1;NYZHOSSWKBVSTM-UHFFFAOYSA-N;117.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207843;MM207843;CN=C(NO)ON=CCO;XSFPHJVVHRBYHW-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207844;MM207844;Cc1n[nH]c(=N)o1;XPXWYVCQCNFIIJ-UHFFFAOYSA-N;99.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207845;MM207845;C#Cc1cc(C=C)no1;RFXUZJHXCPFEQJ-UHFFFAOYSA-N;119.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207846;MM207846;C#Cc1cc(C=O)no1;UNTPFEPLEWECJO-UHFFFAOYSA-N;121.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207847;MM207847;C#Cc1cc(C#N)no1;RAQVDBCCECEKGD-UHFFFAOYSA-N;118.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207848;MM207848;C#Cc1nc(C=C)co1;OTNDZZDUJOVBMT-UHFFFAOYSA-N;119.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207849;MM207849;C#Cc1nc(C=O)co1;BKEIFWYTQJZOGZ-UHFFFAOYSA-N;121.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207850;MM207850;C#Cc1nc(C#N)co1;GEMHDCBFQLTMQG-UHFFFAOYSA-N;118.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207851;MM207851;C#Cc1nc(C=C)no1;QBHXPQKLLPUWLJ-UHFFFAOYSA-N;120.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207852;MM207852;C#Cc1nc(C=O)no1;XADGWYPJTXAAIU-UHFFFAOYSA-N;122.08;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207853;MM207853;C#Cc1nc(C#N)no1;QUJGHPNGTQAJLG-UHFFFAOYSA-N;119.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207854;MM207854;C#CC1=CCC(CC)=C1;PLIXCNWOEOWUKE-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207855;MM207855;C#CC1=CCC(CN)=C1;SXLSKQCMYANJBO-UHFFFAOYSA-N;119.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207856;MM207856;C#CC1=CCC(CO)=C1;MPFAUXNFHHNPQP-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207857;MM207857;C#CC1=CCC(CF)=C1;YNRFLHVREMOMTO-UHFFFAOYSA-N;122.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207858;MM207858;C#CC1=CCC(OC)=C1;SADXAZKXEVPFLB-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207859;MM207859;C#Cc1c[nH]c(CC)c1;IDOPWWCSNIAVPE-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207860;MM207860;C#Cc1c[nH]c(CN)c1;BENCJMDFMQAFFP-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207861;MM207861;C#Cc1c[nH]c(CO)c1;YJKNSXOEJSQCFI-UHFFFAOYSA-N;121.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207862;MM207862;C#Cc1c[nH]c(CF)c1;BIPRTEQBAUWQME-UHFFFAOYSA-N;123.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207863;MM207863;O=CON=CC(C=O)C=O;SEYCTUWZPWRWCU-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207864;MM207864;C#Cc1c[nH]c(OC)c1;IPKRZJWYYCHTTL-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207865;MM207865;C#Cc1coc(CC)c1;MCQKDXYUPOCMRZ-UHFFFAOYSA-N;120.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207866;MM207866;C#Cc1coc(CO)c1;FHHMVNRGXGKTLB-UHFFFAOYSA-N;122.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207867;MM207867;C#Cc1coc(CF)c1;ZLRRBMVSPNOLBS-UHFFFAOYSA-N;124.11;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207868;MM207868;C#Cc1coc(NC)c1;XDSGSFHGADYJDX-UHFFFAOYSA-N;121.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207869;MM207869;C#Cc1coc(OC)c1;OXOMTALLHXUSPC-UHFFFAOYSA-N;122.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207870;MM207870;C#Cc1cc(CC)on1;HZQHIBCWKXDNAR-UHFFFAOYSA-N;121.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207871;MM207871;C#Cc1cc(CO)on1;CHHZKXNOIBIXNB-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207872;MM207872;C#Cc1cc(CF)on1;MIDWUTUKJVDHHL-UHFFFAOYSA-N;125.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207873;MM207873;C#Cc1cc(OC)on1;CRTQOEBWQCNRKE-UHFFFAOYSA-N;123.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207874;MM207874;C=CC(CO)=NOCCO;ZQHKJLWYKWNDNQ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207875;MM207875;CCNc1cc(CO)[nH]n1;JDZWNTSFBYFDAV-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207876;MM207876;C#Cc1c[nH]c(OC)n1;HDYHGOFDSBQCBQ-UHFFFAOYSA-N;122.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207877;MM207877;C#Cc1coc(CC)n1;WKJKPQXDBJIMPY-UHFFFAOYSA-N;121.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207878;MM207878;C#Cc1coc(CO)n1;QGVCGQGIVAUYJZ-UHFFFAOYSA-N;123.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207879;MM207879;C#Cc1coc(CF)n1;JLOLJFFBVRBTMR-UHFFFAOYSA-N;125.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207880;MM207880;C#Cc1coc(NC)n1;ADDHZJBSBDPLDJ-UHFFFAOYSA-N;122.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207881;MM207881;C#Cc1coc(OC)n1;BIWKDLHWMCDWLF-UHFFFAOYSA-N;123.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207882;MM207882;C#Cc1n[nH]c(NC)n1;HHCUDHPUIJOIEJ-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207883;MM207883;C#Cc1noc(CC)n1;VPYWVCSFYICQNE-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207884;MM207884;C#Cc1noc(CO)n1;OSACGNTYQGXNHR-UHFFFAOYSA-N;124.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207885;MM207885;C#Cc1noc(CF)n1;HANVXEOTKBVCIK-UHFFFAOYSA-N;126.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207886;MM207886;C#Cc1noc(NC)n1;STBOSSOYXGXLAU-UHFFFAOYSA-N;123.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207887;MM207887;C#Cc1noc(OC)n1;FEYGKQUKYYQFGY-UHFFFAOYSA-N;124.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207888;MM207888;C#CC1=CCC(C=C)=C1;VHOOBXSYNMLYCN-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207889;MM207889;C#CC1=CCC(C=O)=C1;DRVCTRNUIBWUNK-UHFFFAOYSA-N;118.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207890;MM207890;C#CC1=CCC(C#N)=C1;CLUAFDVTRYRKLE-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207891;MM207891;C#Cc1c[nH]c(C=C)c1;MDODJROTGTWFAB-UHFFFAOYSA-N;117.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207892;MM207892;C#Cc1c[nH]c(C#N)c1;YFRBRLOUVHGQPE-UHFFFAOYSA-N;116.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207893;MM207893;C#Cc1coc(C=C)c1;OHKJKMWUHZZGPI-UHFFFAOYSA-N;118.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207894;MM207894;C#Cc1coc(C=O)c1;VFQJSPHGRICNDR-UHFFFAOYSA-N;120.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207895;MM207895;C#Cc1coc(C#N)c1;HPLKSMSAMGYCLH-UHFFFAOYSA-N;117.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207896;MM207896;C#Cc1cc(C=C)on1;DLFARXVWPCAPSJ-UHFFFAOYSA-N;119.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207897;MM207897;C#Cc1cc(C=O)on1;RHCSPFZRDRZCLF-UHFFFAOYSA-N;121.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207898;MM207898;C#Cc1cc(C#N)on1;JTRNGGAOUSHSIQ-UHFFFAOYSA-N;118.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207899;MM207899;C#Cc1coc(C=C)n1;NWOPJOCXXJRAGB-UHFFFAOYSA-N;119.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207900;MM207900;C#Cc1coc(C=O)n1;RPGHWVCBVWLWEI-UHFFFAOYSA-N;121.1;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207901;MM207901;C#Cc1coc(C#N)n1;ZKGOAVLHSXGGGK-UHFFFAOYSA-N;118.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207902;MM207902;C#Cc1noc(C=C)n1;WIONBAYAEABQFB-UHFFFAOYSA-N;120.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207903;MM207903;C#Cc1noc(C=O)n1;SQNGQYGKPOPVKA-UHFFFAOYSA-N;122.08;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207904;MM207904;C#Cc1noc(C#N)n1;OXNPZYAXNPKXTI-UHFFFAOYSA-N;119.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207905;MM207905;C#CC1=CCC(C#C)=C1;NRSSMTAZBVICGJ-UHFFFAOYSA-N;114.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207906;MM207906;C#Cc1c[nH]c(C#C)c1;VRUXMCWOMBLLDF-UHFFFAOYSA-N;115.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207907;MM207907;C#Cc1coc(C#C)c1;AOTUYKVTEQHCDV-UHFFFAOYSA-N;116.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207908;MM207908;C=CC1=CC(=NN)OC1C;MIBOCCUMSJYCEG-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207909;MM207909;C#Cc1cc(C#C)on1;ACBIEVPXUUJQGV-UHFFFAOYSA-N;117.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207910;MM207910;C#Cc1coc(C#C)n1;XUOAQRCASOIKKJ-UHFFFAOYSA-N;117.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207911;MM207911;C#Cc1noc(C#C)n1;MXGUZCJKCMOKBP-UHFFFAOYSA-N;118.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207912;MM207912;NC1CCC(CO)CC1;GHUJZOFJZVGTSN-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207913;MM207913;NCC1CCC(N)CN1;NEIVHJSRJRVNOV-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207914;MM207914;NCC1CCC(O)CN1;WMDGDFWJAPWOCU-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207915;MM207915;CCC1CCC(N)CO1;UMDVEVKPHGSDTD-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207916;MM207916;CCC1CCC(F)CO1;SQZMVTMBBNDDPL-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207917;MM207917;NCC1CCC(F)CO1;SYYSEQNUYGOIRW-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207918;MM207918;CCC1OCC(F)CO1;VOROEGUYGJCOAW-UHFFFAOYSA-N;134.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207919;MM207919;CN1CCC(CO)CC1;KJZLJGZZDNGGCA-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207920;MM207920;CCN1CCC(O)CC1;AHOJTPZHHMJMCW-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207921;MM207921;CCN1CCN(C)CC1;TXIOGJHPPVXTOY-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207922;MM207922;C=CC1CCC(C)CN1;QNRKOEHLKSHEHM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207923;MM207923;CC1CCC(C=O)NC1;IMBCXQBGEDEOFC-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207924;MM207924;O=CC1OCC(F)CO1;LSIHLGWCOCCMPF-UHFFFAOYSA-N;134.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207925;MM207925;C=CC1CCN(C)CC1;KNSKADMRFWMSRW-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207926;MM207926;CC1CCN(C=N)OC1;DAGHZDDHPAMMSK-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207927;MM207927;CN1CCN(C=N)CC1;KSEJXVVKPWJDOM-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207928;MM207928;C#CC1OCC(C)CO1;LQGSBLROOGDWIW-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207929;MM207929;C#CC1CCN(C)CC1;GKSZTGKBJYXEET-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207930;MM207930;CCC1CCC(=O)CC1;OKSDJGWHKXFVME-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207931;MM207931;CNC1CCC(=O)CC1;KJIMZXWXSLVBEO-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207932;MM207932;C=C1CCC(OC)CC1;BAWFXZDAASXVEC-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207933;MM207933;CCC1CNC(=N)NC1;UOFKGRRVMPMTCY-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207934;MM207934;N=C1NCC(CN)CN1;VALMXQHMQXFFAX-UHFFFAOYSA-N;128.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207935;MM207935;CNC1CNC(=N)NC1;NHAWTEFJWWNRGR-UHFFFAOYSA-N;128.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207936;MM207936;C=C1CCC(CC)NC1;IRHMVMHGZWHJMZ-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207937;MM207937;C=C1CCC(CO)NC1;QTKJPGUQLFYCAF-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207938;MM207938;C=C1CCC(CC)OC1;CCEHSAPOGFTHGX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207939;MM207939;C=C1CCC(CO)OC1;WCWSKJAQKCFODX-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207940;MM207940;C=C1CCN(CC)CC1;NYIVCRAGHALTSU-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207941;MM207941;C=CC1CCC(=C)CC1;LNMXESKPVUGREW-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207942;MM207942;C=C1CCC(C#N)CC1;HODLTMXLRWZOMW-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207943;MM207943;C=CC1CNC(=N)NC1;WOMKWMMXDMFPOR-UHFFFAOYSA-N;125.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207944;MM207944;C=CC1CCC(=C)CN1;BTJUVAKAFAWLRW-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207945;MM207945;C=CC1CCC(=C)CO1;KYHWGWWEWZRKIN-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207946;MM207946;C=CC1OCC(=C)CO1;SFEHFFAMORKBFP-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207947;MM207947;C=C1CCN(C=N)CC1;LLROFZGJFLNZSQ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207948;MM207948;C=C1CCN(C=O)CC1;JAXZBWXDIMXMEK-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207949;MM207949;N=CN1CCC(=O)CC1;QBZWSBPIMPNQAZ-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207950;MM207950;CC=NN1CC(OC)C1=O;WDOLKMFXAVAXFG-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207951;MM207951;C=NN1CCC(=C)CC1;IPSIDJFFMJACHI-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207952;MM207952;C=Cc1ncc(CO)n1N;SLSNIMQWQNACOR-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207953;MM207953;C=C1CCN(C=O)OC1;YVFHVLROKVQFLV-UHFFFAOYSA-N;127.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207954;MM207954;CC=C1CCC(C)CC1;WWSJJPAGYFPKKJ-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207955;MM207955;CC1CCC(=CF)CC1;YVPWYUOJTVMNKG-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207956;MM207956;NN=C1CCC(F)CC1;MPYQSHUUPVXKIA-UHFFFAOYSA-N;130.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207957;MM207957;ON=C1CCC(F)CC1;FWXTWVJUHFZHNM-UHFFFAOYSA-N;131.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207958;MM207958;CC1CCC(=NO)CO1;PBZAWKXPXOMDEA-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207959;MM207959;CN=C1CCC(N)CN1;ZWZHHRWXZYBGAC-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207960;MM207960;CN=C1CCC(F)CN1;QLOYAHCQGDACQX-UHFFFAOYSA-N;130.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207961;MM207961;CC1CCC(NN)=NO1;NRPSLVRKMOENCM-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207962;MM207962;CN=C1NCC(N)CN1;GWEKYIKDUHPCRY-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207963;MM207963;CC=C1CCN(C)CC1;GWIVYVWPMZAIHN-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207964;MM207964;CN1CCC(=NN)CC1;MJQSJKCAAAPORW-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207965;MM207965;CN1CCC(=NO)CC1;PMWKIHOURGCZOJ-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207966;MM207966;C=C1CCC(=CC)CC1;WCOWOOFSDHGBJJ-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207967;MM207967;C=C1CCC(=CF)CC1;FFITYEXJGYWURK-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207968;MM207968;CC=C1CCC(=O)CC1;FCCGHKPWNITLFA-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207969;MM207969;O=C1CCC(=CF)CC1;YRVWHWAYOGGARU-UHFFFAOYSA-N;128.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207970;MM207970;C=C1CCC(=NN)CC1;OMGDQCHBUZUKFM-UHFFFAOYSA-N;124.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207971;MM207971;C#Cc1ncc(CO)n1N;CNWAFEYGQGOVSU-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207972;MM207972;O=C1CCC(=NO)CC1;WNTQAFAPXTVOBX-UHFFFAOYSA-N;127.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207973;MM207973;CC=C1CCC(=N)NC1;FZEMXNQQXUQOIK-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207974;MM207974;N=C1CCC(=CF)CN1;WKENDVMNYIYKBC-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207975;MM207975;CC=C1CCC(=O)NC1;ZKTGPSZEDZJUGK-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207976;MM207976;O=C1CCC(=CF)CN1;XSRBUNFZPLGGDR-UHFFFAOYSA-N;129.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207977;MM207977;N=C1CCC(=NN)CN1;AULAGCMCAVVHSX-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207978;MM207978;N=C1CCC(=NO)CN1;PIMIYYMHYNPLCZ-UHFFFAOYSA-N;127.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207979;MM207979;ONC1=NN=C(NO)OC1;BWPBLAGPHJGKMB-UHFFFAOYSA-N;146.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207980;MM207980;O=C1CCC(=NO)CN1;OBMPQKYCMUZGEJ-UHFFFAOYSA-N;128.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207981;MM207981;C=C1CCC(=CC)CO1;SSQFSUWJUOQURF-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207982;MM207982;C=C1CCC(=CF)CO1;HXXSFBJDOVPZEC-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207983;MM207983;CC=C1CCC(=O)OC1;YDNYCKLLWOSGNV-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207984;MM207984;O=C1CCC(=CF)CO1;JELJMGNNJJPLTQ-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207985;MM207985;C=C1CCC(=NN)CO1;CIHAUVZFKSTRKZ-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207986;MM207986;C=C1CCC(=NO)CO1;QZIIFEJSIUJXOL-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207987;MM207987;NN=C1CCC(=O)OC1;ZAIJHGJOPPDIQF-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207988;MM207988;O=C1CCC(=NO)CO1;PFPYFCPQABMQSZ-UHFFFAOYSA-N;129.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207989;MM207989;CC=C1CNC(=N)NC1;TZCJGUCCYCGXQA-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207990;MM207990;C=C1CCC(=NC)NC1;YYNFMPYLOGDEOR-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207991;MM207991;C=C1CCC(=NN)NC1;ZSNIQQUZRAWVAO-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207992;MM207992;CN(C)C(C#N)CO;WNVNXXSOJBINSH-UHFFFAOYSA-N;114.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207993;MM207993;CN=C1CCC(=N)NN1;HIJKJBCPELLKRF-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207994;MM207994;N=C1CCC(=NN)NN1;DSIFSDXBHRIWAN-UHFFFAOYSA-N;127.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207995;MM207995;N=C1CCC(=NO)NN1;WXPLJUFERJEBPW-UHFFFAOYSA-N;128.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207996;MM207996;CN=C1CCC(=O)NN1;LAGFGYZHAKNMOO-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207997;MM207997;O=C1CCC(=NO)NN1;OQLWFEMEXYLFRO-UHFFFAOYSA-N;129.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207998;MM207998;COCC(O)CC=NN;PLFSLDRTKRXCCJ-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM207999;MM207999;O=C1CCC(=NO)NO1;HVSHMQLKVAHXPZ-UHFFFAOYSA-N;130.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208000;MM208000;C=C1CCC(=CC)OC1;RTWSLKUYCGCUIN-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208001;MM208001;C=C1CCC(=CF)OC1;ODGDMZNVFOFYLZ-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208002;MM208002;N=C(NO)ON=CCO;YQUUXNOONBLACD-UHFFFAOYSA-N;133.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208003;MM208003;C=C1CCC(=NO)OC1;ZYAPVXMYGFNVBA-UHFFFAOYSA-N;127.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208004;MM208004;N=C1CCC(=NO)ON1;RHRHOWFJFFKXPI-UHFFFAOYSA-N;129.12;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208005;MM208005;NN=C1CCC(=O)NO1;PICWRZANKPVFNV-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208006;MM208006;C=C1CNC(=NC)NC1;YKOUVSZMDJFRTC-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208007;MM208007;C=C1CNC(=NN)NC1;KYZXJHAGCXXVIW-UHFFFAOYSA-N;126.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208008;MM208008;C=CC(ON=C)C(C)O;QPUMTCFGKMXAKS-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208009;MM208009;CNC1C=CC(C)CC1;AIGTUPPTLKWLDN-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208010;MM208010;COC1C=CC(N)CC1;SFSFQTPFSVCDEN-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208011;MM208011;COC1C=CC(F)CC1;NRIBPKGWHDNQLE-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208012;MM208012;CCC1CNN(C)C=N1;ZBTIZSMILFCPSI-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208013;MM208013;CON1C=NN(C)CC1;XXXASDFRVSIWIY-UHFFFAOYSA-N;129.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208014;MM208014;N#CCc1c[nH]c(N)c1;JGALBQXZYSAYDO-UHFFFAOYSA-N;121.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208015;MM208015;N#CC1C=CC(F)CC1;JGRPBSOWYZVZRU-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208016;MM208016;O=CN1C=CC(O)CC1;FSIBJNHZUFNSQV-UHFFFAOYSA-N;127.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208017;MM208017;N=CN1C=CC(F)CC1;SRWQIXDDLJQMJX-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208018;MM208018;O=CN1C=CC(F)CC1;SRGNZBWHBYKGNQ-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208019;MM208019;CC1=CN=C(CO)C1=O;PNKHPMYCBRZXOS-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208020;MM208020;CCN(C)C(C#N)CO;FBRUJCPLDVYJRE-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208021;MM208021;N#CC(CO)=C(N)CF;IGQHUBWBOULHTC-UHFFFAOYSA-N;130.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208022;MM208022;C=NN1C=NN(C)CC1;IRTIAVKVEPVHLB-UHFFFAOYSA-N;126.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208023;MM208023;CN1C=NN(C=O)CC1;UNXWRZMFPGVNRS-UHFFFAOYSA-N;127.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208024;MM208024;N=CN1CCN(N)C=N1;AWPXVECPNFHXAB-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208025;MM208025;NN1C=NN(C=O)CC1;LYEXDDVHDQQXBF-UHFFFAOYSA-N;128.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208026;MM208026;N#CCNC(C#N)CO;CGCBDOQAXCANBC-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208027;MM208027;C#CCNC(C#N)CO;QGWZTPUDXURDQR-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208028;MM208028;C#CC1C=CC(F)CC1;BCMMOFZNZITNAS-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208029;MM208029;CNc1cc(CO)[nH]n1;DYWNLYGTHSITTQ-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208030;MM208030;C=NOC(=O)CNC(N)=O;FSWCRRZPIYDOFJ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208031;MM208031;CON1C=NC(=N)CC1;VEJVPPMQLSJYSB-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208032;MM208032;CON1C=NC(=O)CC1;OGOJGXADAWHYDM-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208033;MM208033;C=C1C=NN(CC)CC1;HSGWHJDCGLNEML-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208034;MM208034;CC(F)C(=N)N(O)C(C)C;NHZCMZIRELXMRF-UHFFFAOYSA-N;148.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208035;MM208035;C=C1C=CN(C=N)CC1;WRPAWHRGIJZTQF-UHFFFAOYSA-N;122.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208036;MM208036;C=C1C=CN(C=O)CC1;GMOOVCKPUJCYJB-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208037;MM208037;N=CN1C=CC(=O)CC1;IHANHLWMURLWFY-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208038;MM208038;O=CN1C=CC(=O)CC1;XNIKOVCAQKRURD-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208039;MM208039;CCC1(O)CN2CC2(C)C1;PMURPFULPJBMQJ-UHFFFAOYSA-N;141.21;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208040;MM208040;N=C1CCN(C=O)C=N1;JPSNPCHQFOPIST-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208041;MM208041;NN=COCC(O)CCO;IINNIKUEMXJOQJ-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208042;MM208042;CNN=CCC(O)COC;GUWLGILKVMLFRG-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208043;MM208043;C=NN1C=NC(=N)CC1;DOIWYBSFINEVMF-UHFFFAOYSA-N;124.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208044;MM208044;COCC(O)CC=NOC;FBCMPLRFCUEFHO-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208045;MM208045;C=C1C=NN(C=N)CC1;DJEOQLSXWJKXPE-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208046;MM208046;C=C1C=NN(C=O)CC1;WTGPCMHFZBSPBY-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208047;MM208047;CCC(C)(CO)OC=NN;BYJCPODHONAHPW-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208048;MM208048;CC1(C)CN1C(C#N)CO;VPMUJUMQKISDOV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208049;MM208049;CC=C1C=NN(C)CC1;ZWGGYFQAPMBEMM-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208050;MM208050;CN1CCC(=CF)C=N1;KEQHSUHPTNLVCM-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208051;MM208051;CN1CCC(=NO)C=N1;MFRGFKWVESRDRZ-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208052;MM208052;CC1(CO)CC(=NN)CO1;HIZRDKYDKUHCFY-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208053;MM208053;CC(C#N)NC(C#N)CO;QATRTMFTEOUUTK-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208054;MM208054;C#CC(C)NC(C#N)CO;HXXICUZVVMVIOF-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208055;MM208055;C#CC1(CO)COC(=N)N1;CVYADZYUQHFFLL-UHFFFAOYSA-N;140.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208056;MM208056;CC(C=O)N(O)C(=N)CF;LOQIGGLXARLZIQ-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208057;MM208057;C=C1C=CC(=CC)CC1;NQZPUTYCFJDZJU-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208058;MM208058;C=C1C=CC(=CF)CC1;GIDVSHBVRZGCRW-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208059;MM208059;CC=C1C=CC(=O)CC1;SFOFATVTORAWGX-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208060;MM208060;O=C1C=CC(=CF)CC1;RENPMJBAJORHOU-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208061;MM208061;C=C1C=CC(=NN)CC1;KIZCCFFDYBAZHT-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208062;MM208062;NN=CC(CO)=NOC=O;DEDGEYVNRXFMHJ-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208063;MM208063;O=C1C=CC(=NO)CC1;ASCBFXHTKHQZBL-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208064;MM208064;CNc1ccc(=O)[nH]n1;YPAAPUGBTAYQMB-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208065;MM208065;Cn1c(=N)c(=O)ccn1O;IXXSMKPVOXLDHR-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208066;MM208066;O=c1ccc(NO)n[nH]1;HDAQOSHDYAMAIX-UHFFFAOYSA-N;127.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208067;MM208067;N=NC1=CNC(=O)NO1;HMUZQIWLJQIWSF-UHFFFAOYSA-N;128.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208068;MM208068;O=NC1=CNC(=O)NO1;QFUDNFMJYDTAOR-UHFFFAOYSA-N;129.08;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208069;MM208069;C=CC#Cc1cc(N)n[nH]1;KEMOBCYLYBXYNO-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208070;MM208070;Nc1noc(=O)nc1CO;OMWHHTLJAARJFE-UHFFFAOYSA-N;143.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208071;MM208071;CN=c1oc(F)c(O)n1N;RKNIELKFMOLFRX-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208072;MM208072;Cc1nnc(O)c(=N)n1N;FUWLDXCGSVOHIC-UHFFFAOYSA-N;141.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208073;MM208073;CCC(=O)C(=O)CC=O;VIOZHXSHLWOADQ-UHFFFAOYSA-N;128.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208074;MM208074;CN=c1nnc(=O)[nH]o1;VLHUXIJTIZKBGL-UHFFFAOYSA-N;128.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208075;MM208075;N#CCc1cc(=O)n(O)[nH]1;ZSHNEXPLERQGAI-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208076;MM208076;CNC1CC=C(C)CC1;GXCFQDJENWESIF-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208077;MM208077;COC1CC=C(C)CC1;ACCCOWUHBNTLLK-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208078;MM208078;COC1CCC(C)=CO1;JUUFWWRVYFXMAH-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208079;MM208079;COC1CCC(C)=NO1;SDAUMSLHJXWTOK-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208080;MM208080;CCN1CC=C(C)CC1;XHCMSJGZONAWOC-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208081;MM208081;CCN1CC=C(F)CC1;IBXURTCIDMWESV-UHFFFAOYSA-N;129.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208082;MM208082;CC1=NOC(C#N)CC1;QQOGATBJIURZMM-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208083;MM208083;CC1=CCN(C=N)CC1;QMJBRKTYCZVIFT-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208084;MM208084;CC1=CCN(C=O)CC1;BIERVGYESWWXHZ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208085;MM208085;N=CN1CC=C(F)CC1;AFQRNJYEEUVUKR-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208086;MM208086;O=CN1CC=C(F)CC1;NCLDHDYLHXMYSC-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208087;MM208087;C=NN1CC=C(C)CC1;OBWGDFPTONXHDZ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208088;MM208088;C=NN1CC=C(F)CC1;NGEKYUDWOWXAMI-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208089;MM208089;CC=C1CC=C(C)CC1;MBBIUIQGRNMRSI-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208090;MM208090;CC1=CCC(=CF)CC1;DJVUHVUWRQWCEQ-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208091;MM208091;CC=C1CC=C(F)CC1;BKDBDRZUENUINB-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208092;MM208092;FC=C1CC=C(F)CC1;JLOXWYNRNZANMI-UHFFFAOYSA-N;130.14;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208093;MM208093;CC1=CCC(=NN)CC1;AJJXVKLLHWFXSP-UHFFFAOYSA-N;124.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208094;MM208094;COC(OC)C(CO)=NN;WDRPNIQINPDSJR-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208095;MM208095;NN=C1CC=C(F)CC1;VEMNYPOTGNXHEL-UHFFFAOYSA-N;128.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208096;MM208096;ON=C1CC=C(F)CC1;XMXUUJVUSYFJCA-UHFFFAOYSA-N;129.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208097;MM208097;CN=C1CCC(C)=CN1;XVASGIBYEMABDM-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208098;MM208098;CC1=CN=C(NN)CC1;VZDPHOMDEWDERU-UHFFFAOYSA-N;125.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208099;MM208099;CC1=CN=C(NO)CC1;IBPWPAMQEKAXLC-UHFFFAOYSA-N;126.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208100;MM208100;CN=C1CCC(F)=CN1;GSQAQAAHLUWJCB-UHFFFAOYSA-N;128.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208101;MM208101;ON=C1CCC(F)=CN1;ZJDZBTJDUGODKN-UHFFFAOYSA-N;130.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208102;MM208102;CC#CCNC(C#N)CO;GDGZSUQNFNNGQB-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208103;MM208103;N#CC(=CNCCO)CO;WKROVGIOIUKLFL-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208104;MM208104;CC=C1CCC(C)=CO1;FETBQXMQUULOMG-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208105;MM208105;CC1=COC(=CF)CC1;ZNSXDKSGYZSRSK-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208106;MM208106;CC=C1CCC(F)=CO1;RRTVUWRPRYFYEH-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208107;MM208107;FC=C1CCC(F)=CO1;WZDBRVWTMIRILU-UHFFFAOYSA-N;132.11;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208108;MM208108;N#CC(CO)=C(N)CCO;MHTKWTCPJOHZSE-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208109;MM208109;CC1=COC(=NO)CC1;WWFDWIGERKDXEY-UHFFFAOYSA-N;127.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208110;MM208110;COCC(N)=C(C#N)CO;JEKYKCCNNQADHM-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208111;MM208111;ON=C1CCC(F)=CO1;XLBRJSHARDMZTL-UHFFFAOYSA-N;131.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208112;MM208112;CC#Cc1cc(NC)n[nH]1;XOTWHDKQAQCDSL-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208113;MM208113;CC1=NOC(=NO)CC1;CCRFVMQUMAKSFB-UHFFFAOYSA-N;128.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208114;MM208114;CC1C=CC(CN)C=C1;IYZFEZUENBVMAK-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208115;MM208115;NCC1C=CC(N)C=C1;LBFVRBOBSZXLGT-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208116;MM208116;N#CC(CO)=C(N)C1CO1;SACLZCKSNNHTDF-UHFFFAOYSA-N;140.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208117;MM208117;CNC1C=CC(C)C=C1;MDCZLYBFAMFJMQ-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208118;MM208118;CNC1C=CC(N)C=C1;ZDKADGFQSSRSBG-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208119;MM208119;CNC1C=CC(F)C=C1;UKHLYBNKBZWEAG-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208120;MM208120;COC1C=CC(C)C=C1;AXGFXVCTYQPMGT-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208121;MM208121;COC1C=CC(N)C=C1;CRKOOWITNCMOSV-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208122;MM208122;CC1C=CC(C=O)C=C1;MMHJOWOSSGZPMN-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208123;MM208123;O=CC1C=CC(O)C=C1;LXIVRJOIBCVIFJ-UHFFFAOYSA-N;124.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208124;MM208124;C=CC1C=CC(F)C=C1;PHYCGEVRSFCDAT-UHFFFAOYSA-N;124.16;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208125;MM208125;O=CC1C=CC(F)C=C1;OEWAPGQGBGBBRG-UHFFFAOYSA-N;126.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208126;MM208126;CC1C=CN(C=N)C=C1;HIWJKPMQRWZHNO-UHFFFAOYSA-N;122.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208127;MM208127;N=CN1C=CC(O)C=C1;JTRWOMAIGATLNA-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208128;MM208128;N=CN1C=CC(F)C=C1;MBNWGAOOGGZYGZ-UHFFFAOYSA-N;126.13;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208129;MM208129;C#CC1C=CC(C)C=C1;QSNRACHUTQDNPA-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208130;MM208130;C#CC1C=CC(O)C=C1;SSRIEXZLNGMDAE-UHFFFAOYSA-N;120.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208131;MM208131;C=C1C=CC(OC)C=C1;DGCRXGPKDMNTJD-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208132;MM208132;CCn1ncc(=N)nn1;ZBARURGESJKWRG-UHFFFAOYSA-N;125.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208133;MM208133;C=Cn1ncc(=N)nn1;HJVYSYNNJWSEEP-UHFFFAOYSA-N;123.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208134;MM208134;N=Cn1ncc(=N)nn1;VROCCEKZOPCFAV-UHFFFAOYSA-N;124.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208135;MM208135;N=Cn1ncc(=O)nn1;YUFCJKWECVWRBO-UHFFFAOYSA-N;125.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208136;MM208136;O=Cn1ncc(=O)nn1;CLECTGLDVJJRBF-UHFFFAOYSA-N;126.08;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208137;MM208137;CN=c1ccn(C)cn1;AVJOHAPNEOANKJ-UHFFFAOYSA-N;123.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208138;MM208138;Cn1ccc(=NN)nc1;HVVKCWJZVOKLON-UHFFFAOYSA-N;124.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208139;MM208139;CNc1ccc(CO)nc1;YWOWSKFTCRMFOD-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208140;MM208140;CN=c1ccn(N)cn1;PBOYNJKEFOBTKQ-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208141;MM208141;NN=c1ccn(N)cn1;QHVZMXZIOXRRMR-UHFFFAOYSA-N;125.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208142;MM208142;CNc1ncc(CF)nn1;DXRPAAZNXCOAQU-UHFFFAOYSA-N;142.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208143;MM208143;ON=c1ccn(O)cn1;OSKITRDKHZBYDC-UHFFFAOYSA-N;127.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208144;MM208144;CN=c1ccn(C)nn1;BFSQVWHHPWJCGS-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208145;MM208145;Cn1ccc(=NN)nn1;KXENZAHENRBAGY-UHFFFAOYSA-N;125.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208146;MM208146;CN=c1ccn(N)nn1;CKRPMASLXGFEJU-UHFFFAOYSA-N;125.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208147;MM208147;OCC1(CO)CN1C1CC1;YDYLMMWLBJXUNL-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208148;MM208148;Nn1ccc(=NO)nn1;GCTZSDCFRZAZPP-UHFFFAOYSA-N;127.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208149;MM208149;CN=c1ccn(O)nn1;FKARHMNJCDCTRL-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208150;MM208150;NN=c1ccn(O)nn1;DIBAKHONGQZVRV-UHFFFAOYSA-N;127.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208151;MM208151;ON=c1ccn(O)nn1;NJFIVZZYONZVDF-UHFFFAOYSA-N;128.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208152;MM208152;CN=c1ncn(C)nn1;CAGKTKCZWUIPPF-UHFFFAOYSA-N;125.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208153;MM208153;Nc1cc(CO)[nH]n1;NZORXPUYHVZTQG-UHFFFAOYSA-N;113.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208154;MM208154;Cn1cnc(=NO)nn1;CULJGGYQYYAIAT-UHFFFAOYSA-N;127.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208155;MM208155;CN=c1ncn(N)nn1;BRJQDIFXIHLWTF-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208156;MM208156;C#CC1=NCCN1O;RGRQXRIXYXGBRF-UHFFFAOYSA-N;110.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208157;MM208157;CN=c1ncn(O)nn1;TUIUYTPWXVCGIV-UHFFFAOYSA-N;127.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208158;MM208158;NN=c1ncn(O)nn1;BCQFXROAFQMVTQ-UHFFFAOYSA-N;128.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208159;MM208159;ON=c1ncn(O)nn1;ZAFMFUFALOQIJE-UHFFFAOYSA-N;129.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208160;MM208160;CC(C)NC(C#N)CO;YRKCIOSMAXNBAK-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208161;MM208161;CN=c1ncc(C)no1;LNANLRSYOILNHR-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208162;MM208162;CNN=CC#CC(N)=O;UULZJKMDRHZZSL-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208163;MM208163;CN=c1ncc(F)no1;MXSAWHWAHNBLMG-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208164;MM208164;NN=c1ncc(F)no1;LYXMRMOMFXBNSN-UHFFFAOYSA-N;130.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208165;MM208165;CCC1=CCC(C)CC1;AVGYYWUTXIKOJZ-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208166;MM208166;CC1CC=C(CF)CC1;YPSZUDLIUNBSOB-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208167;MM208167;CC12CN1C1CC1(O)C2;KFDJONURJDZZCS-UHFFFAOYSA-N;125.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208168;MM208168;COC1=CCC(C)CC1;UIZJMGJALWBCRF-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208169;MM208169;CCC1=COC(C)CC1;XQNVGOLNLCEYBV-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208170;MM208170;CC1OC=C(CF)CO1;UULHQSTWCLBTFM-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208171;MM208171;COC1=COC(C)OC1;MDKZUYRMXXRREM-UHFFFAOYSA-N;130.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208172;MM208172;CC1CCC(CN)=NO1;QLSKRTDNJGENIE-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208173;MM208173;COCC(CO)=NOC;PWSYKRISCDRWTG-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208174;MM208174;CON=C(C=NN)CO;OIEKEZKHMUVJGE-UHFFFAOYSA-N;131.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208175;MM208175;CCC1(O)CC2CN2C1;VHDFCBXYNYXTAO-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208176;MM208176;CCC1=CCN(C)CC1;ZQVCQFNBVALBAF-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208177;MM208177;CN1CC=C(CN)CC1;XUELPHBYTUIHJB-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208178;MM208178;CN1CC=C(CO)CC1;XCZCVUOQSMDKQW-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208179;MM208179;CN1CC=C(CF)CC1;GXGCDIFBVGABPQ-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208180;MM208180;COC1=CCN(C)CC1;NIJMSJNMZVMEEQ-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208181;MM208181;C=CC1=CCC(N)CC1;UYIGQEDJNKNARW-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208182;MM208182;CC1CCC(C#N)=CO1;CYTLBEYGCCVTBK-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208183;MM208183;C=CC1=COC(C)OC1;DEHXMIYQDBLJTC-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208184;MM208184;CC1OC=C(C=O)CO1;MXDXOEUUZISAGT-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208185;MM208185;C=CC1=NOC(C)CC1;MMPUSNYGVXDYKO-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208186;MM208186;C#CC1NC(CC)C1=O;WFNPJYYVVZXTGS-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208187;MM208187;CC1ON=C(C=O)NO1;NEXKFAFZVNGMEK-UHFFFAOYSA-N;130.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208188;MM208188;C=CC1=CCN(C)CC1;HGWVHVYJNWEYTP-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208189;MM208189;C#CC1=NOC(C)CC1;ACDBYOCIOXUQQK-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208190;MM208190;C#CC1=CCN(C)CC1;AHPYFQGQOJASKP-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208191;MM208191;C=C1CC=C(CC)CC1;WXPSDUKWNYPYBL-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208192;MM208192;C=C1CC=C(CN)CC1;XBBJOTIDCNYWBP-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208193;MM208193;N#CC(CO)NCCF;ODYNFLLZRIBYCU-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208194;MM208194;C=C1CC=C(CF)CC1;JUQMVPAMRUBAJX-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208195;MM208195;CCC1=CCC(=O)CC1;OCWNYERVPBBARM-UHFFFAOYSA-N;124.18;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208196;MM208196;O=C1CC=C(CO)CC1;SBRNURXVPKDFNF-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208197;MM208197;O=C1CC=C(CF)CC1;WQFBJKFMRSYQDB-UHFFFAOYSA-N;128.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208198;MM208198;C=C1CC=C(OC)CC1;UIEJTEPDHQMWLD-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208199;MM208199;COC1=CCC(=O)CC1;KWLXUSSSZNWHTH-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208200;MM208200;CCC1=CNC(=N)CC1;LOPYCVVTGLNRQT-UHFFFAOYSA-N;124.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208201;MM208201;N=C1CCC(CN)=CN1;CBJXBVJEAGKJJJ-UHFFFAOYSA-N;125.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208202;MM208202;N=C1CCC(CO)=CN1;DEWBFCXNICXORA-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208203;MM208203;N=C1CCC(CF)=CN1;CBTWGTQOEJFDRS-UHFFFAOYSA-N;128.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208204;MM208204;CCC1=CNC(=O)CC1;ANLJVGZSPMCGBO-UHFFFAOYSA-N;125.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208205;MM208205;NCC1=CNC(=O)CC1;DPMYFUKOFJQZME-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208206;MM208206;O=C1CCC(CO)=CN1;ZPNAPIFATUNAFI-UHFFFAOYSA-N;127.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208207;MM208207;O=C1CCC(CF)=CN1;AKCGXQJFYLHRLZ-UHFFFAOYSA-N;129.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208208;MM208208;COC1=CNC(=N)CC1;LPGWCRALHOFXET-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208209;MM208209;COC1=CNC(=O)CC1;ZXXMPUPXVKTTHD-UHFFFAOYSA-N;127.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208210;MM208210;C=C1CCC(CC)=CO1;RSALTUYTXYZKFH-UHFFFAOYSA-N;124.18;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208211;MM208211;C=C1CCC(CN)=CO1;FTQTVUIRSHIEDR-UHFFFAOYSA-N;125.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208212;MM208212;C=C1CCC(CO)=CO1;WOKYIBDEEQPUDP-UHFFFAOYSA-N;126.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208213;MM208213;C=C1CCC(CF)=CO1;XCEWALDQZYEWFX-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208214;MM208214;CCC1=COC(=O)CC1;LYWURAIOBVBGDW-UHFFFAOYSA-N;126.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208215;MM208215;NCC1=COC(=O)CC1;AURZTPFLDZUMDJ-UHFFFAOYSA-N;127.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208216;MM208216;O=C1CCC(CO)=CO1;LLXWFEYCTUDYMQ-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208217;MM208217;O=C1CCC(CF)=CO1;DPXUZBZONNUAGP-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208218;MM208218;C=C1CCC(OC)=CO1;JIEPNWBVGAMBJS-UHFFFAOYSA-N;126.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208219;MM208219;COC1=COC(=O)CC1;QVHOSATUPSWHDJ-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208220;MM208220;N=C1CC=C(CO)CN1;BSDZHWVUOUQFGT-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208221;MM208221;N=C1CC=C(CF)CN1;AQTJJGSMZBDAIW-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208222;MM208222;CCC1=CCC(=O)NC1;PSGOWGXYCKYZNJ-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208223;MM208223;O=C1CC=C(CF)CN1;WFOSNQMWJNNPNK-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208224;MM208224;COC1=CCC(=O)NC1;VYGHOKDPDKUOON-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208225;MM208225;C=C1CC=C(CN)CO1;FPCIVZWIZUQXQI-UHFFFAOYSA-N;125.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208226;MM208226;C=C1CC=C(CO)CO1;ANDUJQYGPCLMQM-UHFFFAOYSA-N;126.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208227;MM208227;CCC1=CCC(=O)OC1;LPOFLNAKWXNHAM-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208228;MM208228;C=C1CC=C(OC)CO1;HXHHCWFBFMIQLO-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208229;MM208229;CCC1=CNC(=N)OC1;JRHQETHCVQGOOQ-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208230;MM208230;N=C1NC=C(CN)CO1;SSQQFBWLTTXRAP-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208231;MM208231;CCC1=CNC(=O)OC1;GJYSDGWYFOHPQK-UHFFFAOYSA-N;127.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208232;MM208232;NCC1=CNC(=O)OC1;UFVUGPZDAAVREA-UHFFFAOYSA-N;128.13;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208233;MM208233;O=C1NC=C(CO)CO1;NRLONFXBVSPOAE-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208234;MM208234;COC1=CNC(=O)OC1;USFSTCQWNKPXLJ-UHFFFAOYSA-N;129.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208235;MM208235;CCC1=NNC(=O)CC1;LXPPQYACCWTNTB-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208236;MM208236;NCC1=NNC(=O)CC1;UVIKSONINWXZDB-UHFFFAOYSA-N;127.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208237;MM208237;O=C1CCC(CO)=NN1;QFBBXJHZVYEOIL-UHFFFAOYSA-N;128.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208238;MM208238;O=C1CCC(CF)=NN1;AHJYOQLBYPBFGC-UHFFFAOYSA-N;130.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208239;MM208239;COC1=NNC(=O)CC1;KXIJPCBAALLPLL-UHFFFAOYSA-N;128.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208240;MM208240;CCC1=NOC(=O)CC1;BLLUCLGLGGZBBD-UHFFFAOYSA-N;127.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208241;MM208241;NCC1=NOC(=O)CC1;DLNQSGIGSUSVTC-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208242;MM208242;N#CC(CO)NCC=O;NRKIWJYKJJJKTJ-UHFFFAOYSA-N;128.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208243;MM208243;O=C1CCC(CF)=NO1;JSIVGIYSUUDMDC-UHFFFAOYSA-N;131.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208244;MM208244;COC1=NOC(=O)CC1;BWFINQUAKHQWJD-UHFFFAOYSA-N;129.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208245;MM208245;C=C1CN=C(CO)NC1;HHZNEEMXNBQPKH-UHFFFAOYSA-N;126.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208246;MM208246;C=C1CN=C(NC)NC1;YKOUVSZMDJFRTC-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208247;MM208247;C=C1CN=C(NN)NC1;KYZXJHAGCXXVIW-UHFFFAOYSA-N;126.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208248;MM208248;CCC1=NNC(=N)NN1;BNWCCXCEVHDUCG-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208249;MM208249;N=C1NN=C(CN)NN1;ZTZKBLCCLIWTNS-UHFFFAOYSA-N;128.14;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208250;MM208250;N=C1NN=C(CO)NN1;LUUCVFIDFAXAJL-UHFFFAOYSA-N;129.12;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208251;MM208251;N=C1NN=C(CF)NN1;MNRLRHCZYBQTRG-UHFFFAOYSA-N;131.11;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208252;MM208252;CNC1=NNC(=N)NN1;IQHRZOXTFJAPPX-UHFFFAOYSA-N;128.14;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208253;MM208253;N=C1NN=C(NN)NN1;GNCXRRNUGIXVIX-UHFFFAOYSA-N;129.13;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208254;MM208254;C=CC1=CCC(=C)CC1;DSZNWMKIAGDVLP-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208255;MM208255;C=C1CC=C(C=O)CC1;DUQXNLJYUZTIAP-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208256;MM208256;C=CC1=CCC(=O)CC1;KFWIBYIGCDKJPL-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208257;MM208257;O=CC1=CCC(=O)CC1;CEBXWJSYVQDEKR-UHFFFAOYSA-N;124.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208258;MM208258;C=CC1=CNC(=N)CC1;FRAGAJGGGSBARM-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208259;MM208259;N=C1CCC(C=O)=CN1;UHIZKDWQWGWOQO-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208260;MM208260;N#CC1=CNC(=N)CC1;JJJXOMDLJBEHMT-UHFFFAOYSA-N;121.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208261;MM208261;C=CC1=CNC(=O)CC1;WKSBZYGKUVXMAD-UHFFFAOYSA-N;123.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208262;MM208262;O=CC1=CNC(=O)CC1;QIRJYMFRRKHNBV-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208263;MM208263;N#CC1=CNC(=O)CC1;ABMFCLUMDQHCJD-UHFFFAOYSA-N;122.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208264;MM208264;C=CC1=COC(=C)CC1;CMZDDYIDRJJAQJ-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208265;MM208265;C=C1CCC(C=O)=CO1;GVEKVOZIXNWXNU-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208266;MM208266;C=C1CCC(C#N)=CO1;KEUFFMLDSKZMFP-UHFFFAOYSA-N;121.14;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208267;MM208267;C=CC1=COC(=O)CC1;DVVLOQNCGWFTGO-UHFFFAOYSA-N;124.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208268;MM208268;O=CC1=COC(=O)CC1;NXPVBXZRDFDIDZ-UHFFFAOYSA-N;126.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208269;MM208269;N#CC1=COC(=O)CC1;GKUGTRRXENORMO-UHFFFAOYSA-N;123.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208270;MM208270;C=CC1=CCC(=N)NC1;YWRGIOHCXVRTFB-UHFFFAOYSA-N;122.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208271;MM208271;C=CC1=CCC(=O)NC1;UUUVGAXVRLGZIF-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208272;MM208272;O=CC1=CCC(=O)NC1;BTGWXGRWHMKXHA-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208273;MM208273;C=CC1=CCC(=C)OC1;IBJLTDVTFFSTES-UHFFFAOYSA-N;122.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208274;MM208274;C=CC1=CNC(=O)OC1;LGUHWXHTKCEPOC-UHFFFAOYSA-N;125.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208275;MM208275;O=CC1=CNC(=O)OC1;SPCPHOUAXKBBTN-UHFFFAOYSA-N;127.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208276;MM208276;C=CC1=NNC(=O)CC1;MKAMNHOGRWENJY-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208277;MM208277;O=CC1=NNC(=O)CC1;WOSXZNVTFSZYRB-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208278;MM208278;N#CC1=NNC(=O)CC1;HYVRHWOPRWFTOL-UHFFFAOYSA-N;123.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208279;MM208279;C=CC1=NOC(=O)CC1;VIQJURIUCBHNJE-UHFFFAOYSA-N;125.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208280;MM208280;O=CC1=NOC(=O)CC1;UCHRSORTVFOGTJ-UHFFFAOYSA-N;127.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208281;MM208281;N#CC1=NOC(=O)CC1;XPHIVNQKXRKSLK-UHFFFAOYSA-N;124.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208282;MM208282;C=CC1=NCC(=C)CN1;WOKRBAHSFIZIKV-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208283;MM208283;C=CC1=NNC(=N)NN1;IVBQBERBLBPOSJ-UHFFFAOYSA-N;125.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208284;MM208284;C#CC1=CNC(=N)CC1;IAOFMXKMEITOCJ-UHFFFAOYSA-N;120.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208285;MM208285;C#CC1=CNC(=O)CC1;PDMMOKRUMJDLHL-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208286;MM208286;C#CC1=COC(=C)CC1;AESKRMMIVLTRDL-UHFFFAOYSA-N;120.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208287;MM208287;C#CC1=COC(=O)CC1;SOHXZGAVOUBEQR-UHFFFAOYSA-N;122.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208288;MM208288;C#CC1=NNC(=O)CC1;VLYTWBDMYVTGGK-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208289;MM208289;C#CC1=NOC(=O)CC1;NLMDECGKKKMNSW-UHFFFAOYSA-N;123.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208290;MM208290;CCC1=CC=C(C)CC1;UBIXBJDZNKCENM-UHFFFAOYSA-N;122.21;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208291;MM208291;CC1=CC=C(CN)CC1;HRZLGMFIOABOPJ-UHFFFAOYSA-N;123.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208292;MM208292;N#CC(CO)NC1CC1;NZICCVZQUZGNIX-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208293;MM208293;CC1=CC=C(CF)CC1;XCUOEHYKYONKQV-UHFFFAOYSA-N;126.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208294;MM208294;CCC1=CC=C(F)CC1;LDBLVEONFVORSB-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208295;MM208295;NCC1=CC=C(F)CC1;PQEUZKFISAAFGV-UHFFFAOYSA-N;127.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208296;MM208296;CON=CN(O)C(C)(C)C;WNCWMOKSAIAFJE-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208297;MM208297;FCC1=CC=C(F)CC1;QIMMHYNQVYRHDM-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208298;MM208298;COC1=CC=C(C)CC1;GASMMOOJZGEXKR-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208299;MM208299;COC1=CC=C(F)CC1;LBGYCZHKBMMJFX-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208300;MM208300;CCC1=NN=C(C)CC1;BBSIIBUQGAYHCC-UHFFFAOYSA-N;124.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208301;MM208301;CC1=NN=C(CO)CC1;GFPYAMNHCKLLRP-UHFFFAOYSA-N;126.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208302;MM208302;CC1=NN=C(CF)CC1;IFOWRDYTJVEWMB-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208303;MM208303;COC1=NN=C(C)CC1;GTOGRVPNYGDRRN-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208304;MM208304;C=CC1=CC=C(C)CC1;FJXRJDLUEJBNCG-UHFFFAOYSA-N;120.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208305;MM208305;CC1=CC=C(C=O)CC1;QZYMQVIZBSJMAV-UHFFFAOYSA-N;122.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208306;MM208306;CC1=CC=C(C#N)CC1;IWURABSMQQJBPA-UHFFFAOYSA-N;119.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208307;MM208307;C=CC1=CC=C(F)CC1;HKYVZEUOPQTDKZ-UHFFFAOYSA-N;124.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208308;MM208308;O=CC1=CC=C(F)CC1;KXZKYGFONOERDS-UHFFFAOYSA-N;126.13;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208309;MM208309;N#CC1=CC=C(F)CC1;DGEBENPCTFPKLT-UHFFFAOYSA-N;123.13;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208310;MM208310;C=CC1=NN=C(C)CC1;JQOWOGDNEJEEDR-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208311;MM208311;CC1=NN=C(C=O)CC1;SCMVIPRBMNEILX-UHFFFAOYSA-N;124.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208312;MM208312;CC1=NN=C(C#N)CC1;SKEYOTGBDJYSGL-UHFFFAOYSA-N;121.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208313;MM208313;C#CC1=CC=C(C)CC1;YIDWIEVJQHQFOC-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208314;MM208314;C#CC1=CC=C(F)CC1;PLBQWBQNFPQBMG-UHFFFAOYSA-N;122.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208315;MM208315;C#CC1=NN=C(C)CC1;MBHMJTPQNCKDEY-UHFFFAOYSA-N;120.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208316;MM208316;CC(C)(O)C=NNCCO;LDYYDJUIUCLGFO-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208317;MM208317;CC(C)(CF)N(O)C=NN;QJCCSVFJJXPWDM-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208318;MM208318;N=C(NO)ON=CC(N)=O;FGSMUOCETINVEK-UHFFFAOYSA-N;146.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208319;MM208319;Cc1ncc(C=O)nn1;GNEAAFMRMKGNQR-UHFFFAOYSA-N;123.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208320;MM208320;CCC1=CCC(F)=CC1;PELLMNFXNPJZHZ-UHFFFAOYSA-N;126.17;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208321;MM208321;CC(N)=C(F)C(CO)=NN;TXGCPNFGYSSXGY-UHFFFAOYSA-N;147.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208322;MM208322;FCC1=CCC(F)=CC1;HOMHCLYAQHKZAW-UHFFFAOYSA-N;130.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208323;MM208323;CCC1=CCC(F)=CO1;CHZXSBOKOQTBDG-UHFFFAOYSA-N;128.15;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208324;MM208324;NCC1=CCC(F)=CO1;UHOZYXIFEHZNNQ-UHFFFAOYSA-N;129.13;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208325;MM208325;OCC1=CCC(F)=CO1;AVYXVEFJLKTVHC-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208326;MM208326;FCC1=CCC(F)=CO1;PTCCNHGNNWTELI-UHFFFAOYSA-N;132.11;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208327;MM208327;C=CC1=COC(C)=CC1;GTKDSFDOJMGHNH-UHFFFAOYSA-N;122.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208328;MM208328;C=CC1=CCC(F)=CO1;FRJLFQPXVPIQQB-UHFFFAOYSA-N;126.13;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208329;MM208329;C=CC1=COC(C)=CO1;OWJBBTPAFBNVMI-UHFFFAOYSA-N;124.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208330;MM208330;CCC(CC)CC1CC1;LUUYLDQDAFNLNM-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208331;MM208331;CCC(CN)CC1CC1;NSCOUZSNUAFPRT-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208332;MM208332;CC1(NC(C#N)CO)CC1;NBZBLVOAKIDZCR-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208333;MM208333;CCC(CF)CC1CC1;CEAAEASPYIPBBT-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208334;MM208334;NCC(CN)CC1CC1;OKXVJIRWHRPWFI-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208335;MM208335;NCC(CO)CC1CC1;IZKPVKQWPXRXDT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208336;MM208336;NCC(CF)CC1CC1;PKXZEABBTSAVAZ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208337;MM208337;OCC(CF)CC1CC1;DEUXCKCEVNULCA-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208338;MM208338;CCC(CC1CC1)NC;KFXZUDXHOMWPAX-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208339;MM208339;CNC(CN)CC1CC1;DPPXYRKFWGIZLU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208340;MM208340;CNC(CO)CC1CC1;RJEVYZCHQWCMPZ-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208341;MM208341;CNC(CF)CC1CC1;YJUJNMQABNALFS-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208342;MM208342;CCC(CC1CC1)OC;TUXSVJCRYYHVJK-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208343;MM208343;COC(CN)CC1CC1;GSMQIIYBGSWNLD-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208344;MM208344;COC(CO)CC1CC1;OHDSIPHQIWGYJS-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208345;MM208345;COC(CC1CC1)OC;BDYLPGYCMNWODC-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208346;MM208346;CCC(CC)NC1CC1;LKZWWXAWMBWTNV-UHFFFAOYSA-N;127.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208347;MM208347;CCC(CN)NC1CC1;FDMOEIUZCCSBJT-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208348;MM208348;CCC(CO)NC1CC1;GEYQVIBUDDFEIP-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208349;MM208349;NCC(CN)NC1CC1;ILPMAFUKAUEOQX-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208350;MM208350;NCC(CO)NC1CC1;NLIHUQBRKIJIJR-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208351;MM208351;NCC(CF)NC1CC1;HBSMYVNYAPJDNU-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208352;MM208352;CCC(CC)OC1CC1;SIHOYRXPJQKMIL-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208353;MM208353;CCC(CN)OC1CC1;ZQADMFSFRHVPFB-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208354;MM208354;CCC(CO)OC1CC1;JSFMOEFSBGYUBK-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208355;MM208355;CCC(CF)OC1CC1;NGZJEDUMPCLDCT-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208356;MM208356;NCC(CN)OC1CC1;ACHXWTRRBFIABU-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208357;MM208357;OCC(CF)OC1CC1;QIUZCQYUTWUMIX-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208358;MM208358;CCC(OC)OC1CC1;OSBUUGDJGSLWNH-UHFFFAOYSA-N;130.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208359;MM208359;CCN(CC)CC1CC1;WCGQWABIEYJKGM-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208360;MM208360;CCC(CN)CC1CN1;FEYCVKQUUWLKIU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208361;MM208361;NCC(CN)CC1CN1;MGSPHVADICPDQQ-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208362;MM208362;NCC(CO)CC1CN1;IYLRSNUOIZSURU-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208363;MM208363;NCC(CF)CC1CN1;LXDBIADZZXLYLI-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208364;MM208364;CCC(CC1CN1)NC;FGESCMUMIGLUNE-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208365;MM208365;CNC(CN)CC1CN1;JGGVPDHLSIFKRF-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208366;MM208366;CNC(CO)CC1CN1;ARUKAEDPDMQFMY-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208367;MM208367;CNC(CF)CC1CN1;DDDXSULUXBRHDR-UHFFFAOYSA-N;132.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208368;MM208368;COC(CN)CC1CN1;DJEZUFFPAMDULS-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208369;MM208369;CCN(CC)CC1CN1;QUDGZNRNVGBOPO-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208370;MM208370;CCC(CC)CC1CO1;MWACMNKRSCZWRO-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208371;MM208371;CCC(CN)CC1CO1;UABXHTKVPBKJMH-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208372;MM208372;CCC(CO)CC1CO1;NGAQVCFMFZNLRP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208373;MM208373;CCC(CF)CC1CO1;AXJKXCQCWCJSQN-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208374;MM208374;NCC(CN)CC1CO1;SOZSFEQWDRUTCR-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208375;MM208375;NCC(CO)CC1CO1;VGPONNHRCVLYJN-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208376;MM208376;FCC(CF)CC1CO1;QIKYTRDZWXIHQV-UHFFFAOYSA-N;136.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208377;MM208377;CCC(CC1CO1)NC;LWHMEYYOGZFRFN-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208378;MM208378;CNC(CN)CC1CO1;PRFSUCLSHNVQQD-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208379;MM208379;CNC(CO)CC1CO1;UGBOXNOVNRJZRY-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208380;MM208380;CNC(CF)CC1CO1;YYAAUHKZAGLRRA-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208381;MM208381;CCC(CC1CO1)OC;GRJDNUXKKYWTGI-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208382;MM208382;COC(CN)CC1CO1;BPLRUGUQTRGKQW-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208383;MM208383;COC(CO)CC1CO1;SXNMFZLMNLYXJL-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208384;MM208384;COC(CC1CO1)OC;WGUOAVMGIWJYSM-UHFFFAOYSA-N;132.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208385;MM208385;CCN(CC)CC1CO1;SBIDUCNDVPSWQT-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208386;MM208386;CCC(CN)CN1CC1;WYVPEEPNTXOQOH-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208387;MM208387;NCC(CN)CN1CC1;YOTPPDHDYCNUSG-UHFFFAOYSA-N;129.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208388;MM208388;NCC(CO)CN1CC1;MBZQPIVNRNXQRX-UHFFFAOYSA-N;130.19;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208389;MM208389;NCC(CF)CN1CC1;FXAAVJIDJHPEQY-UHFFFAOYSA-N;132.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208390;MM208390;C=CC(C)NC(C#N)CO;MDIYVCGXWYXDPY-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208391;MM208391;FCC(CF)CN1CC1;GCXORBCGUFVBCQ-UHFFFAOYSA-N;135.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208392;MM208392;CCC(CN1CC1)NC;BRDHIVSZKQHDTD-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208393;MM208393;CNC(CO)CN1CC1;MTJJJBDCWUFDFY-UHFFFAOYSA-N;130.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208394;MM208394;CNC(CF)CN1CC1;UPHNKCYGIMAYSM-UHFFFAOYSA-N;132.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208395;MM208395;COC(CN)CN1CC1;QHISHSTWSNRVBC-UHFFFAOYSA-N;130.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208396;MM208396;COC(CN1CC1)OC;HPJADOWHDKGKPV-UHFFFAOYSA-N;131.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208397;MM208397;C=CC(CC)CC1CC1;PMKHRTXRLJLYHX-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208398;MM208398;CCC(C=O)CC1CC1;WBKSIOZLOANFEB-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208399;MM208399;CCC(C#N)CC1CC1;NRLIJJAFLGKZGS-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208400;MM208400;C=CC(CN)CC1CC1;HFDQRXCOQJTLGC-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208401;MM208401;CC(C=O)NC(C#N)CO;AJIFAVAKGWBSEQ-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208402;MM208402;O=CC(CO)CC1CC1;JNCVCDCDHCGZQN-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208403;MM208403;N#CC(CO)CC1CC1;MDADYNLGPFYWDM-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208404;MM208404;C=CC(CF)CC1CC1;MKAULDRNTWLWRC-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208405;MM208405;O=CC(CF)CC1CC1;YEZDBFGUWUUEBM-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208406;MM208406;N#CC(CF)CC1CC1;DTKLWQINUBEVPT-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208407;MM208407;C=CC(CC1CC1)NC;OGNWOLYFBDCAHH-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208408;MM208408;CNC(C=O)CC1CC1;UOMFHKQIYMGTGH-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208409;MM208409;CNC(C#N)CC1CC1;NZBHCBYDKAHWIV-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208410;MM208410;C=CC(CC1CC1)OC;JIKAGRYWRBLUHO-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208411;MM208411;COC(C=O)CC1CC1;HSMKXCDKOJLILE-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208412;MM208412;COC(C#N)CC1CC1;NSLITOZAHASNCX-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208413;MM208413;C=CC(CC)NC1CC1;VBRUSVMRORPNQB-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208414;MM208414;CCC(C=O)NC1CC1;SHDBNDGBRSXSRD-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208415;MM208415;CCC(C#N)NC1CC1;LNQSURDOQFOCIL-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208416;MM208416;C=CC(CN)NC1CC1;QVNSUXQWKLPYAH-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208417;MM208417;C=CC(CO)NC1CC1;YFVFRGGCEWJOAV-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208418;MM208418;CC(F)CNC(C#N)CO;VXWKVWNYTKHFPV-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208419;MM208419;N#CC(CF)NC1CC1;NFLBFFVWFPNSOM-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208420;MM208420;C=CC(CC)OC1CC1;DJJSDEFUBNKMOQ-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208421;MM208421;CCC(C=O)OC1CC1;MSWXZKUDBWOQAR-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208422;MM208422;CCC(C#N)OC1CC1;ITZOIXUGNOLTGY-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208423;MM208423;C=CC(CN)OC1CC1;IUBBRPALSSSOAD-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208424;MM208424;C=CC(CO)OC1CC1;DIRIFEZHRHRIFM-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208425;MM208425;O=CC(CO)OC1CC1;XHUQDPDNTKMGAZ-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208426;MM208426;N#CC(CO)OC1CC1;ZQUISDDNHNXBEG-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208427;MM208427;O=CC(CF)OC1CC1;FYNNRDRYGCVJDF-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208428;MM208428;N#CC(CF)OC1CC1;NMKJIDBDASLDHZ-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208429;MM208429;C=CC(OC)OC1CC1;LLCCFRJTAYFQHU-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208430;MM208430;COC(C=O)OC1CC1;GRQKKAAXQBUJAL-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208431;MM208431;COC(C#N)OC1CC1;RYTBAFMVEKVEBR-UHFFFAOYSA-N;127.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208432;MM208432;CCN(C=N)CC1CC1;WFFFCTUGDNJVOS-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208433;MM208433;CCN(C=O)CC1CC1;ZGOXMVQKQGVDNI-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208434;MM208434;C=NN(CC)CC1CC1;GUWJJMRNAKZZRR-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208435;MM208435;CNN(C=N)CC1CC1;CQAYTZCUYQZHMV-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208436;MM208436;CNN(C=O)CC1CC1;CMZXFANMRWVZPY-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208437;MM208437;CON(C=N)CC1CC1;KMQYCOGGKTYPAP-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208438;MM208438;CON(C=O)CC1CC1;OCMUCQMNAYEEPQ-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208439;MM208439;CCN(C=N)NC1CC1;BEVMMHALYZOXEF-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208440;MM208440;CCN(C=O)NC1CC1;OKYWXBXPLJTZEH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208441;MM208441;CCN(C=N)OC1CC1;MUFFUZJIQXRNNG-UHFFFAOYSA-N;128.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208442;MM208442;CCN(C=O)OC1CC1;HNLFBLHDBPGNIM-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208443;MM208443;C=CC(CN)CC1CN1;VGRSNRXWIADETD-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208444;MM208444;C=CC(CC1CN1)NC;UIJBVCVSSPJQLO-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208445;MM208445;CCN(C=N)CC1CN1;CUMOMIOEOCSFFM-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208446;MM208446;CNN(C=N)CC1CN1;JDWNWGCEBVHWSC-UHFFFAOYSA-N;128.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208447;MM208447;C=CC(CC)CC1CO1;HQOSDTMCRWNQAJ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208448;MM208448;CCC(C=O)CC1CO1;XFNXHVJHAOXXBH-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208449;MM208449;CCC(C#N)CC1CO1;BLTGGPKMBKCVIK-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208450;MM208450;C=CC(CN)CC1CO1;FTHXACRPLLFBBI-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208451;MM208451;C=CC(CO)CC1CO1;KPFZXUDXCUFKPK-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208452;MM208452;O=CC(CO)CC1CO1;NQAUOFDVBAKMCX-UHFFFAOYSA-N;130.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208453;MM208453;N#CC(CO)CC1CO1;MVECMJNYMJFLTP-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208454;MM208454;O=CC(CF)CC1CO1;QSMMXGVZLGCKIW-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208455;MM208455;N#CC(CF)CC1CO1;FRWQAKDJVQYDBL-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208456;MM208456;C=CC(CC1CO1)NC;NEQXRTXIKSKNJY-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208457;MM208457;CNC(C=O)CC1CO1;WWGAKGMSLVZHAA-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208458;MM208458;C=CC(CC1CO1)OC;JHWRGUJGAYGSQY-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208459;MM208459;COC(C=O)CC1CO1;CARKJHJOVBVHIH-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208460;MM208460;COC(C#N)CC1CO1;YORNFHWRWKDOOB-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208461;MM208461;CCN(C=N)CC1CO1;KCKZHQFUNNYSHW-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208462;MM208462;CCN(C=O)CC1CO1;BSVSFKAFMLPDQK-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208463;MM208463;C=NN(CC)CC1CO1;NVZLNIKTGQWFBJ-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208464;MM208464;CNN(C=N)CC1CO1;OIAOCRCZDYMYPG-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208465;MM208465;CNN(C=O)CC1CO1;FEZMQMYGZIRFND-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208466;MM208466;CON(C=O)CC1CO1;USTNZTJWJHUNRX-UHFFFAOYSA-N;131.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208467;MM208467;CN=C(NO)OCC(C)O;AOJKYVCLFKZFGB-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208468;MM208468;CCC(C#N)CN1CC1;OYODFLOHIKZHPV-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208469;MM208469;C=CC(CN)CN1CC1;PSPFNTAMJRNJEW-UHFFFAOYSA-N;126.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208470;MM208470;N#CC(=O)CNCCC=O;FRQLZKOAPKTGKH-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208471;MM208471;C=NOC(CO)C(=O)C=O;JRBYNBRUXZOVBC-UHFFFAOYSA-N;145.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208472;MM208472;CON=C(CO)CNC=O;HMIRQBSAUOYWBI-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208473;MM208473;N#CC(CF)CN1CC1;KAXRFBVLOIKDTI-UHFFFAOYSA-N;128.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208474;MM208474;C=CC(CN1CC1)NC;XHTDWJMTULUUEL-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208475;MM208475;CNC(C#N)CN1CC1;GTIATLFCACONIL-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208476;MM208476;C=CC(CN1CC1)OC;YAQYHYIKOBHXDG-UHFFFAOYSA-N;127.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208477;MM208477;CON=C(CO)COC=O;MUHIVCSPXJTMRW-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208478;MM208478;COC(C#N)CN1CC1;NFUAYZKQRJWDPZ-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208479;MM208479;C#CC(CC)CC1CC1;ZIESSKGIOLMHOR-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208480;MM208480;C#CC(CN)CC1CC1;RYAFBPUDQNREPU-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208481;MM208481;CNN=CC(CO)=NOC;RSCJPDJEPXECHI-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208482;MM208482;C#CC(CF)CC1CC1;CNDGTTODEKYYID-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208483;MM208483;C#CC(CC1CC1)NC;BVRUFMUVUIYSDA-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208484;MM208484;C#CC(CC1CC1)OC;MAEFLXJLFJSLJQ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208485;MM208485;C#CC(CC)NC1CC1;BEUGQRVHVXYUCU-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208486;MM208486;C#CC(CN)NC1CC1;NQJRTLGKCACLPD-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208487;MM208487;C#CC(CO)NC1CC1;AZHVCAUTPABKMB-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208488;MM208488;C#CC(CC)OC1CC1;AIZGZMDVEJWPEW-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208489;MM208489;C#CC(CN)OC1CC1;QYLWGBRQICFIPE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208490;MM208490;C#CC(CO)OC1CC1;OWGBJFXUCPLEOC-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208491;MM208491;C#CC(CF)OC1CC1;IWNNABJSIDLAMS-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208492;MM208492;C#CC(OC)OC1CC1;WHVRAUCBIBIYMH-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208493;MM208493;C#CC(CN)CC1CN1;SHMMQBUEGYUTOE-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208494;MM208494;C#CC(CC1CN1)NC;GQCKLPQERZIXMS-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208495;MM208495;C#CC(CC)CC1CO1;DLAIURFZSXADRB-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208496;MM208496;C#CC(CN)CC1CO1;UDLNMZITLDHUHG-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208497;MM208497;C#CC(CO)CC1CO1;BKDQEVVNSHVETC-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208498;MM208498;C#CC(CF)CC1CO1;SVHTWCQKFYAJTC-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208499;MM208499;C#CC(CC1CO1)NC;ORVADUNWWVVHKN-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208500;MM208500;C#CC(CC1CO1)OC;IYZZDJRLGBGIMH-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208501;MM208501;C#CC(CN)CN1CC1;HLPSFHXLOYCOAE-UHFFFAOYSA-N;124.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208502;MM208502;CCON=C(CO)COC;RPGZUHFUKUXSDQ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208503;MM208503;C=NN(C(=N)C=O)C(N)=O;ZQKJBMYYJJIYFM-UHFFFAOYSA-N;142.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208504;MM208504;C#CC(CN1CC1)NC;GDBFQKKNPYZXJP-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208505;MM208505;C#CC(CN1CC1)OC;NGCMIEZFJUNFJM-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208506;MM208506;C=CC(C=C)CC1CC1;ZWZSYEXLKXRGDT-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208507;MM208507;C=CC(C=O)CC1CC1;MYUAWFWSDYTLRI-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208508;MM208508;C=CC(C#N)CC1CC1;DHSHYCRONIUMHL-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208509;MM208509;N#CC(C=O)CC1CC1;DMXKFFIEBSEJFH-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208510;MM208510;N#CC(C#N)CC1CC1;ORGIKCFHCMOLNB-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208511;MM208511;C=CC(C=C)NC1CC1;GHCBIQUXBCLBKM-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208512;MM208512;C=CC(C#N)NC1CC1;IBZFWCGHOIQYCH-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208513;MM208513;N=CN(OCC=O)C(N)=O;SMHDSKAVSIXZKD-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208514;MM208514;C=Cc1nc(O)n(C)c1N;STFAHCHZSNXEJJ-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208515;MM208515;CCC1(O)CC2C(C)N2C1;OGUFWSOHUYGWSY-UHFFFAOYSA-N;141.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208516;MM208516;C=CC(C=C)OC1CC1;PAPHBXKTYJGWKH-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208517;MM208517;C=CC(C=O)OC1CC1;PXPIKUIBNHGVHH-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208518;MM208518;C=CC(C#N)OC1CC1;MAOBPZYSZCVVGH-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208519;MM208519;O=CC(C=O)OC1CC1;NDXXGWZVGBDLIF-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208520;MM208520;N#CC(C=O)OC1CC1;QBNXVIFFTBATCB-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208521;MM208521;N#CC(C#N)OC1CC1;LQFKPMBGZHEOSF-UHFFFAOYSA-N;122.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208522;MM208522;C=CN(C=N)CC1CC1;YQVIUSOKCKEMDS-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208523;MM208523;C=CN(C=O)CC1CC1;RTJGANZVVGEOKJ-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208524;MM208524;N=CN(C=N)CC1CC1;OWICHQRWXPUAFE-UHFFFAOYSA-N;125.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208525;MM208525;N=CN(C=O)CC1CC1;ALELPGZRQSWYPB-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208526;MM208526;O=CN(C=O)CC1CC1;STSBEDDNRTYCFW-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208527;MM208527;C=NN(C=N)CC1CC1;VVJDHMWMQSVFRA-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208528;MM208528;C=NN(C=O)CC1CC1;BLGYTEFIILEKBN-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208529;MM208529;C=CN(C=N)NC1CC1;JDOAMSVHOPEDKK-UHFFFAOYSA-N;125.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208530;MM208530;C=CN(C=O)NC1CC1;YCKOQMOAALIEAK-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208531;MM208531;N=CN(C=N)NC1CC1;CJKSWGPYBHWXFS-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208532;MM208532;N=CN(C=O)NC1CC1;NHFXUEPKTCQDBG-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208533;MM208533;C=CN(C=N)OC1CC1;REOIWFZTKZXKHQ-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208534;MM208534;C=CN(C=O)OC1CC1;BLRPKDOYEMMKLS-UHFFFAOYSA-N;127.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208535;MM208535;N=CN(C=O)OC1CC1;MVAGEBHFPZNXEB-UHFFFAOYSA-N;128.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208536;MM208536;NN=C(CO)C(CO)CO;FNPAIDREJBPAHP-UHFFFAOYSA-N;148.16;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208537;MM208537;C=CN(C=N)CC1CN1;KMVHNBSYSMPAQW-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208538;MM208538;N=CN(C=N)CC1CN1;GKWBWBBCHXFVMH-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208539;MM208539;C=CC(C=C)CC1CO1;CVUHCXQZLZOVBR-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208540;MM208540;C=CC(C=O)CC1CO1;WSRZPTZCTMLIJF-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208541;MM208541;C=CC(C#N)CC1CO1;ASCVEKDTCAAMLD-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208542;MM208542;O=CC(C=O)CC1CO1;RLAYKACTGQRJLP-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208543;MM208543;N#CC(C=O)CC1CO1;RBLIQULZGJWQJQ-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208544;MM208544;N#CC(C#N)CC1CO1;VAZJMNTWBIQTAV-UHFFFAOYSA-N;122.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208545;MM208545;C=CN(C=N)CC1CO1;XDZJHJIMWYSESG-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208546;MM208546;C=CN(C=O)CC1CO1;IZILSFNUCMCDJE-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208547;MM208547;N=CN(C=N)CC1CO1;IFIYMTRGNWYLCV-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208548;MM208548;N=CN(C=O)CC1CO1;QVQJZUKIFHHVBR-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208549;MM208549;O=CN(C=O)CC1CO1;DKAFHQUJYSFXKU-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208550;MM208550;C=NN(C=N)CC1CO1;XPZYUEWIUNAPAE-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208551;MM208551;C=NN(C=O)CC1CO1;XKXQVCYBWGATHU-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208552;MM208552;N#CC(CO)NCCCF;DCGYYFAZIAHSGZ-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208553;MM208553;C=CC(C#N)CN1CC1;QDZCXRXJLUOMND-UHFFFAOYSA-N;122.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208554;MM208554;COCCNC(C#N)CO;HDVKEWACJYXYJT-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208555;MM208555;N#CC(C#N)CN1CC1;JPVRKLGLKZOGEV-UHFFFAOYSA-N;121.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208556;MM208556;C#CC(C=C)CC1CC1;MXVHMQQGDQJBHV-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208557;MM208557;C#CC(C=O)CC1CC1;JRZQGAYBSDHKNY-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208558;MM208558;C#CC(C#N)CC1CC1;BQKWNEZRMPYLEG-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208559;MM208559;N#CC(CO)NCCC=O;LJIIHIRIOBQPFU-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208560;MM208560;C#CC(C=C)OC1CC1;CICMHMZGINLUNZ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208561;MM208561;C#CC(C=O)OC1CC1;KVTPHNKHJWFVRB-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208562;MM208562;C#CC(C#N)OC1CC1;SDXJBKINYPGVJA-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208563;MM208563;C#CC(C=C)CC1CO1;QAYVELSOHOETNT-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208564;MM208564;C#CC(C=O)CC1CO1;GPXRBGJBUGALGG-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208565;MM208565;C#CC(C#N)CC1CO1;YGAOHQLXTFWCTB-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208566;MM208566;N#CCCNC(C#N)CO;DILQGAABFLZPKC-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208567;MM208567;C#CCCNC(C#N)CO;NBONFIJPOFIKRL-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208568;MM208568;C#CC(C#C)CC1CC1;FOJMPJPCJONOGI-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208569;MM208569;C#CC(C#C)OC1CC1;NPVJMYLXLNAQKR-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208570;MM208570;C#CC(C#C)CC1CO1;OWHDAXIJTUDIFM-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208571;MM208571;C#CC(C#C)CN1CC1;PJQHDOPRWJJDIF-UHFFFAOYSA-N;119.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208572;MM208572;CC=C(CC)CC1CC1;XUKJQEAUGMZMCZ-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208573;MM208573;CCC(=CF)CC1CC1;GFDJRARBGOBFRD-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208574;MM208574;CC=C(CN)CC1CC1;NUGRTLBXCAAUFP-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208575;MM208575;NCC(=CF)CC1CC1;DDRPOONPROVDPV-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208576;MM208576;N#CC(CO)NCC=CF;LQZRLYGZDDOUQW-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208577;MM208577;OCC(=CF)CC1CC1;DZIMYPYVTWCCAL-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208578;MM208578;CC=C(CF)CC1CC1;IPQPLTIUYOOWNX-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208579;MM208579;FC=C(CF)CC1CC1;YYEGMSZBWPWABZ-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208580;MM208580;CCC(CC1CC1)=NN;CGCGDVQVYKWUEE-UHFFFAOYSA-N;126.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208581;MM208581;CCC(CC1CC1)=NO;FIDUYMUJSPZQOL-UHFFFAOYSA-N;127.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208582;MM208582;NCC(CC1CC1)=NO;HLIQSUXANREMRJ-UHFFFAOYSA-N;128.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208583;MM208583;NN=CCOC1(CO)CC1;VRVMTJAGJYXVNE-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208584;MM208584;NN=C(CF)CC1CC1;KFERQFQHAYTBOC-UHFFFAOYSA-N;130.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208585;MM208585;CN=C(CC1CC1)NC;LNMFLYNTFWYUMT-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208586;MM208586;CN=C(CC1CC1)NN;NCRNNCLEKYHMRC-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208587;MM208587;CN=C(CC1CC1)NO;LRKVJJQSEZNXRK-UHFFFAOYSA-N;128.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208588;MM208588;ON=C(CC1CC1)NO;ZHSLKTAFGLJCII-UHFFFAOYSA-N;130.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208589;MM208589;CC=C(CC1CC1)OC;GSJYZEQEOZHCDT-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208590;MM208590;COC(=CF)CC1CC1;QOMQAJHCVBKFDI-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208591;MM208591;N#CC(CO)NC1CC1F;XKTIXLVNWBWMPV-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208592;MM208592;COC(CC1CC1)=NO;BIJWPJIOKNNDBP-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208593;MM208593;CCC(=NC1CC1)NC;GCFDLRBSELKTHF-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208594;MM208594;CCC(=NN)NC1CC1;PMMJXUSRTFYLFQ-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208595;MM208595;C#Cc1cc(NCC)n[nH]1;IQBNZHXNEFRIOZ-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208596;MM208596;CN=C(CN)NC1CC1;MQAWBZGVTXSBPO-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208597;MM208597;CN=C(CO)NC1CC1;ZKLKHCVLUIAKQX-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208598;MM208598;C=NN1C(C)C1C1(O)CC1;OETUBWUOCDBIGL-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208599;MM208599;ON=C(CF)NC1CC1;PMCFTLRPTBSZMN-UHFFFAOYSA-N;132.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208600;MM208600;CN=C(NC)NC1CC1;LYBIWWIWQFJWRY-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208601;MM208601;CNC(=NN)NC1CC1;AWFRMOGBJLLIFB-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208602;MM208602;CN=C(NN)NC1CC1;AWFRMOGBJLLIFB-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208603;MM208603;NN=C(NN)NC1CC1;SFBGZXGOEIXPCD-UHFFFAOYSA-N;129.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208604;MM208604;CN=C(NO)NC1CC1;DENXEZJVPSFRJX-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208605;MM208605;NN=C(NO)NC1CC1;MBIYKXZWNZXFHW-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208606;MM208606;CC=C(CC)OC1CC1;XJXXITWCLIMCOJ-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208607;MM208607;CCC(=CF)OC1CC1;DJVVKSPZLQSCKJ-UHFFFAOYSA-N;130.16;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208608;MM208608;CC=C(CN)OC1CC1;CUZPSQDRQWEFBI-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208609;MM208609;CC=C(CO)OC1CC1;MTAPSBMMQZLQEB-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208610;MM208610;OCC(=CF)OC1CC1;IAWDXLBULBJWKP-UHFFFAOYSA-N;132.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208611;MM208611;CC=C(CF)OC1CC1;DXFDWFUTPWGVGA-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208612;MM208612;COc1n[nH]c(CO)c1C;JIGBPXOKMYEEBQ-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208613;MM208613;CCC(=NO)OC1CC1;YMRZYSMFJXRPDX-UHFFFAOYSA-N;129.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208614;MM208614;C=CC1OCC(CO)=NO1;JOXKHQUQAUXCMJ-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208615;MM208615;CNC1=NCC(CO)=NO1;BFXCVCKEYAYZHW-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208616;MM208616;C=CC(=O)C(F)C(=O)C=O;FGQGYNZQDKTDBZ-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208617;MM208617;CN=C(NC)OC1CC1;ORBKCFPDCIFJHA-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208618;MM208618;CNC(=NO)OC1CC1;CNDTUNWGOQYDPM-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208619;MM208619;N#CC(CO)NCC1CO1;QSZLYPSOYUFVDJ-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208620;MM208620;CC(N)=C(C#N)CO;XZWTZSXZVHDHTP-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208621;MM208621;CC=C(CN)CC1CN1;KUEYBGYKINTPAI-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208622;MM208622;NCC(=CF)CC1CN1;VJNKBNSIYRGLLV-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208623;MM208623;CN=C(CC1CN1)NC;KIDYXWKMQMSLPB-UHFFFAOYSA-N;127.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208624;MM208624;CN=C(CC1CN1)NN;IAWIOCYUWSILDQ-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208625;MM208625;CN=C(CC1CN1)NO;CPAQZZTXDKRCAV-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208626;MM208626;CC=C(CC)CC1CO1;IGXCQIZRMGPZAB-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208627;MM208627;CCC(=CF)CC1CO1;HOSKRBRCFNOQBF-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208628;MM208628;CC=C(CN)CC1CO1;VKKFUCGWEDHEDC-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208629;MM208629;NCC(=CF)CC1CO1;YKZGKVOMNCINOE-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208630;MM208630;CC=C(CO)CC1CO1;BVSHOUOACBLKNQ-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208631;MM208631;CC=C(CF)CC1CO1;FYBFTGPQJOTCJG-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208632;MM208632;FC=C(CF)CC1CO1;MWKPVNRPTGACOQ-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208633;MM208633;CCC(CC1CO1)=NN;NPQGEOZNBFUROG-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208634;MM208634;CCC(CC1CO1)=NO;UDTVNRUSGIZWSH-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208635;MM208635;CC=NOCC(O)CC;CQWOOFWRDVQHHS-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208636;MM208636;NN=C(CF)CC1CO1;BHMOMMXLPZAURU-UHFFFAOYSA-N;132.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208637;MM208637;O=c1nc(O)[nH]n1O;BOXCCWIQBDUNJS-UHFFFAOYSA-N;117.06;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208638;MM208638;CN=C(CC1CO1)NC;JUDMUCFKAAEAMU-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208639;MM208639;CN=C(CC1CO1)NN;PFACAKVVNHVJAC-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208640;MM208640;CN=C(CC1CO1)NO;REQBDELFDZPORI-UHFFFAOYSA-N;130.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208641;MM208641;CC=C(CC1CO1)OC;QZFDUBFLZYUMSQ-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208642;MM208642;COC(=CF)CC1CO1;FJATVPYUSBMCSI-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208643;MM208643;C=C(F)C(CO)=NNC;DOTLFFASSLJOIH-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208644;MM208644;CCC(=CF)CN1CC1;KMHWIBIAIVVDJY-UHFFFAOYSA-N;129.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208645;MM208645;CC=C(CN)CN1CC1;WOSGFQZVCIASHS-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208646;MM208646;NCC(=CF)CN1CC1;ZYXNRCNVCABZBA-UHFFFAOYSA-N;130.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208647;MM208647;CC1=NC(=NN)CN1N;CCWHZTBWVDNMLC-UHFFFAOYSA-N;127.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208648;MM208648;CC=C(F)C(CO)=NN;HFTMBBVXBMGQAP-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208649;MM208649;CC=C(CF)CN1CC1;BSZCZAKIXFHQDM-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208650;MM208650;CCC(CN1CC1)=NN;DINYNEKWUSFBAJ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208651;MM208651;CNC(C)=C(C#N)CO;IGZBAEPODUSKOE-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208652;MM208652;C#Cc1cc(NC)n[nH]1;ILDGNHVKIAUISN-UHFFFAOYSA-N;121.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208653;MM208653;NN=C(CF)CN1CC1;RDUQVXGWPLQEKV-UHFFFAOYSA-N;131.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208654;MM208654;COn1oc(=N)[nH]c1=O;HWIIWJCTBNDJIJ-UHFFFAOYSA-N;131.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208655;MM208655;CN=C(CN1CC1)NC;ZBEDMWPMBPXPPY-UHFFFAOYSA-N;127.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208656;MM208656;CN=C(CN1CC1)NN;WFJKNZRPZWMHFN-UHFFFAOYSA-N;128.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208657;MM208657;NN=CCC=CNC=O;MSUNNANXARHAOP-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208658;MM208658;CC=C(CN1CC1)OC;NHRRIETVKZUBQO-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208659;MM208659;COC(=CF)CN1CC1;HCZJBTKDEHLJDM-UHFFFAOYSA-N;131.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208660;MM208660;CC1C2CC3(O)CC3N12;DQPFWWAOEJQVIF-UHFFFAOYSA-N;125.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208661;MM208661;CCC(=NN1CC1)NC;WHYFFADMHRTTPZ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208662;MM208662;C#CC(F)=CN(N)C(N)=O;YCPPOBBBCQALQS-UHFFFAOYSA-N;143.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208663;MM208663;CN=C(CN)NN1CC1;HAVQLLQHHFEKDZ-UHFFFAOYSA-N;128.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208664;MM208664;CN=C(CO)NN1CC1;PTVBBAKIYRVVTG-UHFFFAOYSA-N;129.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208665;MM208665;CN=C(CF)NN1CC1;SKXGBCBUTSSDOL-UHFFFAOYSA-N;131.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208666;MM208666;CC1C(N(N)C=O)C1(C)O;XZTJJFUPISLVJI-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208667;MM208667;CN=C(NC)NN1CC1;IZJDORZFGFCXGL-UHFFFAOYSA-N;128.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208668;MM208668;CNC(=NN)NN1CC1;SKCGRRWNMRVQOE-UHFFFAOYSA-N;129.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208669;MM208669;CN=C(NN)NN1CC1;SKCGRRWNMRVQOE-UHFFFAOYSA-N;129.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208670;MM208670;CN=C(NO)NN1CC1;PJXWAUKEGHNNJY-UHFFFAOYSA-N;130.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208671;MM208671;NN=C(NO)NN1CC1;JCMWFPOSDBDDKW-UHFFFAOYSA-N;131.14;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208672;MM208672;C=CC(=CC)CC1CC1;YDYKHKRGJWAEOJ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208673;MM208673;C=CC(=CF)CC1CC1;GJJUEKMCQURLKI-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208674;MM208674;CC=C(C=O)CC1CC1;HBMKJVMJUKIZTB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208675;MM208675;CC=C(C#N)CC1CC1;HLLPAULJLCWYKH-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208676;MM208676;NC=C(C=O)CC1CC1;BEXLWSFVVUWQFO-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208677;MM208677;N#CC(=CN)CC1CC1;UBRNYPPVWDDRJC-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208678;MM208678;N#CC(=CF)CC1CC1;FUGFZPZBCXYECW-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208679;MM208679;C=CC(CC1CC1)=NN;LQSZSZXMXGKVPJ-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208680;MM208680;C=C(C)N(C)C=NC(N)=O;DLMUZCFWCZALRQ-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208681;MM208681;CC(C)(CCO)CC(=O)O;DWTUAMZRBMSLJQ-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208682;MM208682;C=CC(=NC)NC1CC1;MRALOPBRRZRJNV-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208683;MM208683;C=CC(=NN)NC1CC1;BPLZQAXLFHCBQC-UHFFFAOYSA-N;125.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208684;MM208684;CC=NOCC(O)CCC;AWLKTDNUVLVHFG-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208685;MM208685;CN=C(C=O)NC1CC1;YVUFEKOCPKUVCX-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208686;MM208686;CN=C(C#N)NC1CC1;MEXLMEJTOHIAOC-UHFFFAOYSA-N;123.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208687;MM208687;O=CC(=NO)NC1CC1;ZCCIISZQKRZOQZ-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208688;MM208688;C=CC(=CC)OC1CC1;ZQIQPEXFDAQLOO-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208689;MM208689;C=CC(=CF)OC1CC1;OGCGXPPUDDWZQS-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208690;MM208690;CC=C(C=O)OC1CC1;HWWGOZHSIWUISS-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208691;MM208691;CC=C(C#N)OC1CC1;RNOXAJQMFOJQFR-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208692;MM208692;NC=C(C=O)OC1CC1;OMKGNKNHCRPTAE-UHFFFAOYSA-N;127.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208693;MM208693;N#CC(=CN)OC1CC1;WMHPXTBPEAMUGW-UHFFFAOYSA-N;124.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208694;MM208694;O=CC(=CF)OC1CC1;ZYIRBLPCZBNVJE-UHFFFAOYSA-N;130.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208695;MM208695;N#CC(=CF)OC1CC1;SQYCTZZTHLVXDS-UHFFFAOYSA-N;127.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208696;MM208696;C=CC(=NN)C(F)C(N)=O;DWFIJUFTDANLGJ-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208697;MM208697;C=Nn1oc(=NC)[nH]c1=O;PAVQOCIVGKXHCV-UHFFFAOYSA-N;142.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208698;MM208698;C=CC(=CC)CC1CO1;RJXHJWGUECKACL-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208699;MM208699;C=CC(=CF)CC1CO1;BTARZBURIOZNHY-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208700;MM208700;CC=C(C=O)CC1CO1;WHVBADBYSULRPA-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208701;MM208701;CC=C(C#N)CC1CO1;MBAHRJIMVWWKBJ-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208702;MM208702;NC=C(C=O)CC1CO1;FKBXOCGEBQFRNE-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208703;MM208703;N#CC(=CN)CC1CO1;GVYPKXWUCXLKTQ-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208704;MM208704;N#CC(=CF)CC1CO1;DDCKWNJUUQXKLZ-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208705;MM208705;C=CC(CC1CO1)=NN;RLXJLZNHGVHAEE-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208706;MM208706;C=CC(CC1CO1)=NO;MVGNEERNEPDPOI-UHFFFAOYSA-N;127.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208707;MM208707;CCn1nnc(O)c1N;NNQLVMIOAGSZCU-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208708;MM208708;C=CC(=CC)CN1CC1;NPGAAVKQJZCUIA-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208709;MM208709;C=CC(=CF)CN1CC1;NVRDJMHCBSPTLL-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208710;MM208710;CC=C(C=O)CN1CC1;WFLNEYKLNRJGKQ-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208711;MM208711;CC=C(C#N)CN1CC1;VVTKWLQJIFWUSQ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208712;MM208712;NC=C(C=O)CN1CC1;JSCNLUMNRVYPDK-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208713;MM208713;N#CC(=CN)CN1CC1;RSPWPZOXGKETLD-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208714;MM208714;O=CC(=CF)CN1CC1;WXQPZAHZKKKRJD-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208715;MM208715;N#CC(=CF)CN1CC1;SAZQOAXTXVVNRQ-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208716;MM208716;C=CC(CN1CC1)=NN;PXPRQWUAYRIREP-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208717;MM208717;CC(C)C(N)=C(C#N)CO;YZCWRWDHYXXQCK-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208718;MM208718;C#CC(C#N)(C=O)C=NO;QRIAQNQPWCWGTQ-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208719;MM208719;C=CC(=NC)NN1CC1;YCGMLJHPQWMDKU-UHFFFAOYSA-N;125.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208720;MM208720;CC(=C(C#N)CO)N(C)C;MSUVKPIZMXNUCM-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208721;MM208721;CC1(C)C2CC3(O)CC3N21;PYQSCIBUYNEXQX-UHFFFAOYSA-N;139.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208722;MM208722;CCC1(O)CC1N(N)C=O;LBCMMKJMHGVDOU-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208723;MM208723;O=CC(=NO)NN1CC1;LCVAIXJIHHURDX-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208724;MM208724;C#CC(=CC)CC1CC1;GLKOFNSKPYUMAG-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208725;MM208725;C#CC(=CF)CC1CC1;OYHVRXGRMACIIV-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208726;MM208726;C#CC(CC1CC1)=NN;RAGSNSXJEJKRLI-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208727;MM208727;C#CC(CC1CC1)=NO;KTBRQBUTVVPLPT-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208728;MM208728;C#CC(=NC)NC1CC1;AQAQPEVTJXJXRN-UHFFFAOYSA-N;122.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208729;MM208729;C=NN(C)C1CC1(O)CC;APEKFCBJEVYFAE-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208730;MM208730;C#CC(=CC)OC1CC1;GPEBYBDMQQWWFM-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208731;MM208731;C#CC(=CF)OC1CC1;DFXGRABOSWFNOW-UHFFFAOYSA-N;126.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208732;MM208732;C=C(CO)N=C(CF)NO;KHILUSXLQDNBOA-UHFFFAOYSA-N;148.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208733;MM208733;C#CC(=NO)OC1CC1;DQHJMQOLBYJAKC-UHFFFAOYSA-N;125.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208734;MM208734;C#CC(=CC)CC1CO1;LIEZEXUWAGMYKT-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208735;MM208735;C#CC(=CF)CC1CO1;DQXFCULUORBWHF-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208736;MM208736;C#CC(CC1CO1)=NN;CYYPBQNPSFIUAN-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208737;MM208737;C#CC(CC1CO1)=NO;JYARPNBPJCILNJ-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208738;MM208738;C#CC(=CC)CN1CC1;OLFOATWMVMYTPH-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208739;MM208739;C#CC(=CF)CN1CC1;IDBKINFRGURMFE-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208740;MM208740;C#CC(CN1CC1)=NN;VQWBYPCCKVIZOG-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208741;MM208741;C#CC(CN1CC1)=NO;TWWNLBCFTFTLIU-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208742;MM208742;COC(=CN(N)C=O)CO;HNMPWLZKQAUEAC-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208743;MM208743;C#CC(=NO)NN1CC1;ZIRGNKKUIKWHSC-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208744;MM208744;CCC(=CC1CC1)CC;MYPZOUOZNHUQOF-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208745;MM208745;CCC(=CC1CC1)CN;FCLYZVKLKPSQEU-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208746;MM208746;C=CN(C=NC(N)=O)CC;LKKIGVBFEOJOQL-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208747;MM208747;CCC(=CC1CC1)CF;WNXDVVASQDHPHH-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208748;MM208748;NCC(=CC1CC1)CN;YUQQGFJICLXNJK-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208749;MM208749;NCC(=CC1CC1)CO;PWFZCNMZVVNUQS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208750;MM208750;NCC(=CC1CC1)CF;ZGNRHYYDGWPRRS-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208751;MM208751;OCC(=CC1CC1)CO;QUNMIWJIPQQKPN-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208752;MM208752;OCC(=CC1CC1)CF;UCPLLVKUJPUVSO-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208753;MM208753;FCC(=CC1CC1)CF;OBHFZPVXTPKTCO-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208754;MM208754;CCC(=CC1CC1)OC;OAXLENBPGAABHE-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208755;MM208755;COC(=CC1CC1)CN;IIOHSMYXKRTCHO-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208756;MM208756;COC(=CC1CC1)CO;NBBDTOBUSLAIHF-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208757;MM208757;COC(=CC1CC1)CF;HFCGHVLZCDVDBC-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208758;MM208758;OCC(=NO)NC1CC1;HUBMNRMXNFIODQ-UHFFFAOYSA-N;130.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208759;MM208759;CNC(=NC1CC1)NC;LYBIWWIWQFJWRY-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208760;MM208760;CNC(=NC1CC1)NN;AWFRMOGBJLLIFB-UHFFFAOYSA-N;128.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208761;MM208761;CNC(=NC1CC1)NO;DENXEZJVPSFRJX-UHFFFAOYSA-N;129.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208762;MM208762;NNC(=NC1CC1)NO;MBIYKXZWNZXFHW-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208763;MM208763;CCC(=CC1CN1)CN;PIYSARMTKRYPME-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208764;MM208764;NCC(=CC1CN1)CN;ZYQKVNNVVMFXRB-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208765;MM208765;NCC(=CC1CN1)CO;WDUGJPWVWQVJTI-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208766;MM208766;NCC(=CC1CN1)CF;AWGJASLEBRYQHK-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208767;MM208767;CN(C)C1CC1(C#N)CO;NISDDILAZSILGH-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208768;MM208768;COC(=CC1CN1)CN;FOEVRYUIDBOPAL-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208769;MM208769;CCC(=CC1CO1)CC;MVVHOXYYOMDWLN-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208770;MM208770;CCC(=CC1CO1)CN;OEHCVPLDEDSBJN-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208771;MM208771;CCC(=CC1CO1)CO;DPWGERAPLRABJE-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208772;MM208772;NCC(=CC1CO1)CN;MQBZASJJQXFSBT-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208773;MM208773;NCC(=CC1CO1)CO;JAJAPQBNCYGXOX-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208774;MM208774;NCC(=CC1CO1)CF;RNQZQDWXTZFLIE-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208775;MM208775;OCC(=CC1CO1)CO;JIRUQWWGOZNLSN-UHFFFAOYSA-N;130.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208776;MM208776;OCC(=CC1CO1)CF;YKDQPVCEXIBYED-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208777;MM208777;FCC(=CC1CO1)CF;PAUBLRBZNQXUQX-UHFFFAOYSA-N;134.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208778;MM208778;CCC(=CC1CO1)OC;BUWJEGNGZHQZJF-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208779;MM208779;COC(=CC1CO1)CN;IJLWYCYOXNUBDP-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208780;MM208780;CCC(CC)=NN1CC1;DQMLETNWOYOPGE-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208781;MM208781;C#CC1(CO)NC1C(C)=O;MUZBWSSYBVWUKX-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208782;MM208782;CCC(CF)=NN1CC1;SAXGPEMPWBGPEM-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208783;MM208783;C#CC1(CO)CC(C)=NN1;RIQNFDZTSGJAAS-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208784;MM208784;CCC(=NN1CC1)OC;PWQHRSLEOLMYOR-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208785;MM208785;CC1(O)CCC2(CF)NC12;LFVPBABBOXNYPI-UHFFFAOYSA-N;145.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208786;MM208786;CNC(=NN1CC1)NC;IZJDORZFGFCXGL-UHFFFAOYSA-N;128.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208787;MM208787;CNC(=NN1CC1)NN;SKCGRRWNMRVQOE-UHFFFAOYSA-N;129.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208788;MM208788;NNC(=NN1CC1)NO;JCMWFPOSDBDDKW-UHFFFAOYSA-N;131.14;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208789;MM208789;CCC=NOCC(O)CC;JTRNJLXNUHFERF-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208790;MM208790;C=CC(=CC1CC1)CC;YRPOOSSRCYLYSO-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208791;MM208791;CCC(C=O)=CC1CC1;UVJSQLUZDNXGAF-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208792;MM208792;CCC(C#N)=CC1CC1;FVUIQZNTGNHCFC-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208793;MM208793;C=CC(=CC1CC1)CN;VITJTYIBZUISQK-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208794;MM208794;C=CC(=CC1CC1)CO;HVMSGQLAHDNHMV-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208795;MM208795;O=CC(=CC1CC1)CO;AOFOLOVETUSXRF-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208796;MM208796;N#CC(=CC1CC1)CO;FXVAQVAXLFDKLJ-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208797;MM208797;C=CC(=CC1CC1)CF;QNDIGRUVDAPIIF-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208798;MM208798;O=CC(=CC1CC1)CF;XJCTXGSBIXAUPT-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208799;MM208799;N#CC(=CC1CC1)CF;GYYNCMPSNIGNKX-UHFFFAOYSA-N;125.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208800;MM208800;C=CC(=CC1CC1)OC;NMJMSJCKGWQMQN-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208801;MM208801;COC(C=O)=CC1CC1;SIPUCOOISURKGA-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208802;MM208802;COC(C#N)=CC1CC1;QUSRNLPDZQLBAO-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208803;MM208803;CCC(C#N)=CC1CN1;IAKLIIWUOYSIDA-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208804;MM208804;C=CC(=CC1CN1)CN;QCPYJABOMBTSBW-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208805;MM208805;C=CC=NOCC(O)CC;OJBSFGVRZAYIOB-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208806;MM208806;N#CC(=CC1CN1)CF;KOUUINYYYLVPNT-UHFFFAOYSA-N;126.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208807;MM208807;COC(C#N)=CC1CN1;FDSGSOSVGJVFBS-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208808;MM208808;C=CC(=CC1CO1)CC;MTAHNTXPNDDGHU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208809;MM208809;CCC(C=O)=CC1CO1;QEGGQXOBQJRXOS-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208810;MM208810;CCC(C#N)=CC1CO1;ARPIXYGNXAWZIF-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208811;MM208811;C=CC(=CC1CO1)CN;UQXWDJJCZGKKNA-UHFFFAOYSA-N;125.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208812;MM208812;C=CC(=CC1CO1)CO;KJUUTHQMAZWXFL-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208813;MM208813;O=CC(=CC1CO1)CO;XCJSDCTVKKEADA-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208814;MM208814;N#CC(=CC1CO1)CO;IDPJZGLGBIPLAJ-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208815;MM208815;C=CC(=CC1CO1)CF;ZLIMOICUFCSKBD-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208816;MM208816;O=CC(=CC1CO1)CF;MADHZTYIJCMCPZ-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208817;MM208817;N#CC(=CC1CO1)CF;JBMFHXQFLCSAGN-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208818;MM208818;C=CC(=CC1CO1)OC;WMVGNZTUYNBEMW-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208819;MM208819;COC(C=O)=CC1CO1;XSOLHQTXRJMHTM-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208820;MM208820;COC(C#N)=CC1CO1;FPNGINXACDIFLJ-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208821;MM208821;CCC(C=O)=CN1CC1;OAVBLYZWRSGILQ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208822;MM208822;CCC(C#N)=CN1CC1;PHJVZQWOUXPRKE-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208823;MM208823;O=CC(=CN1CC1)CO;AZQJGERETBYCLD-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208824;MM208824;C#CC=NOCC(O)CC;OSUPTAOQVUVPRI-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208825;MM208825;O=CC(=CN1CC1)CF;PARSATGKFIPIIM-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208826;MM208826;N#CC(=CN1CC1)CF;TVFIQDGRIFGGQX-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208827;MM208827;COC(C=O)=CN1CC1;AHYRYEVQERUKGK-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208828;MM208828;COC(C#N)=CN1CC1;DSYVFDOGASQLEO-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208829;MM208829;C=CC(CC)=NN1CC1;BBRKSGSZUAGMNQ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208830;MM208830;CCC(C=O)=NN1CC1;KLHXLNUQMLAMDK-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208831;MM208831;CCC(C#N)=NN1CC1;FKZPRRDBXVACNM-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208832;MM208832;CC(CC=CNC=O)=NN;APXPQAWAWOFGQT-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208833;MM208833;O=CC(CO)=NN1CC1;ZGKPKXBJOWLJEJ-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208834;MM208834;N#CC(CO)=NN1CC1;ISXWIZIRRJZKGJ-UHFFFAOYSA-N;125.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208835;MM208835;C=CC(CF)=NN1CC1;SRUGIVJKQMLHAY-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208836;MM208836;CCN(O)C(=NOC)NN;YFROVPJJXMQHRX-UHFFFAOYSA-N;148.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208837;MM208837;C=C(C#N)C(CO)=NOC;CAQHNJDPKXHFLG-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208838;MM208838;C=CC(=NN1CC1)OC;PPSGNDGGNGHJMZ-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208839;MM208839;COC(C=O)=NN1CC1;SPJNFZLOGAVGME-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208840;MM208840;COC(C#N)=NN1CC1;AJHYHMASMODERA-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208841;MM208841;C#CC(=CC1CC1)CC;AOILMECNBHLWSB-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208842;MM208842;C#CC(=CC1CC1)CN;UQLQAKBMVIXHOU-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208843;MM208843;C#CC(=CC1CC1)CO;ADDAAIGCHICEOP-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208844;MM208844;C#CC(=CC1CC1)CF;JNMPYCVSXCXEGC-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208845;MM208845;C#CC(=CC1CC1)OC;HHIVVIDYRGEPKG-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208846;MM208846;C#CC(=CC1CN1)CN;WKRHZEFZOXTWQS-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208847;MM208847;C#CC(=CC1CO1)CC;LBELGULNJVUVFJ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208848;MM208848;C#CC(=CC1CO1)CN;ZYWWWLQVDKQGOG-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208849;MM208849;C#CC(=CC1CO1)CO;IAORCKKGUZUKIQ-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208850;MM208850;C#CC(=CC1CO1)CF;PJXRSIHSYFAZNN-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208851;MM208851;C#CC(=CC1CO1)OC;VSUQAQIQRZSAQB-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208852;MM208852;C#CC(CC)=NN1CC1;XSSFOTAPZGDMBT-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208853;MM208853;NN=COC(=CCF)CO;HJLXBOYCVCOLMQ-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208854;MM208854;C#CC(CF)=NN1CC1;JQTKZJFBYHCZEV-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208855;MM208855;C#CC(=NN1CC1)OC;UGBWFBYKAQOFIH-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208856;MM208856;C=CC(C=C)=CC1CC1;SMLQDLLCDQYFCS-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208857;MM208857;C=CC(C=O)=CC1CC1;RNGXQHFEVLKGHR-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208858;MM208858;C=CC(C#N)=CC1CC1;LGVAWGDPROBBAP-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208859;MM208859;O=CC(C=O)=CC1CC1;UCXLWCJWKNYZKB-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208860;MM208860;N#CC(C=O)=CC1CC1;OLBHNVPKWXKPBR-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208861;MM208861;N#CC(C#N)=CC1CC1;PQCMRJIKONTQPB-UHFFFAOYSA-N;118.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208862;MM208862;C=CC(C#N)=CC1CN1;ABRMSBPKACSEQO-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208863;MM208863;N#CC(C=O)=CC1CN1;JNKKKJVZQBWZRD-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208864;MM208864;N#CC(C#N)=CC1CN1;DNHBQCGQCWNTBE-UHFFFAOYSA-N;119.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208865;MM208865;C=CC(C=C)=CC1CO1;XBTMSTIPJULZKC-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208866;MM208866;C=CC(C=O)=CC1CO1;FNWQKCIGASEREY-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208867;MM208867;C=CC(C#N)=CC1CO1;UIEAZMLYIBBVDK-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208868;MM208868;O=CC(C=O)=CC1CO1;JQRUFEKVFXNOGW-UHFFFAOYSA-N;126.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208869;MM208869;N#CC(C=O)=CC1CO1;FHONAYZQMBDJIX-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208870;MM208870;N#CC(C#N)=CC1CO1;VDHMEWCCMBBTKP-UHFFFAOYSA-N;120.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208871;MM208871;C=CC(C=O)=CN1CC1;VEUFTVFZRSCIJD-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208872;MM208872;C=CC(C#N)=CN1CC1;RAJAMMFFHLPYFV-UHFFFAOYSA-N;120.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208873;MM208873;O=CC(C=O)=CN1CC1;LBGWPSCTJLVKCN-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208874;MM208874;N#CC(C=O)=CN1CC1;FGVNRSAHCWUMKA-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208875;MM208875;N#CC(C#N)=CN1CC1;XZNKOKYITPBZFS-UHFFFAOYSA-N;119.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208876;MM208876;C=CC(C=C)=NN1CC1;YXBKZTYJDQLDDH-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208877;MM208877;C=CC(C=O)=NN1CC1;GAHNSZMIJNNIDQ-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208878;MM208878;C=CC(C#N)=NN1CC1;UBIXQTMVHNEHEB-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208879;MM208879;O=CC(C=O)=NN1CC1;AMOOETXFUBAPJO-UHFFFAOYSA-N;126.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208880;MM208880;N#CC(C=O)=NN1CC1;WXXOWTRGRUNEBQ-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208881;MM208881;N#CC(C#N)=NN1CC1;UXMUJINYOSEINQ-UHFFFAOYSA-N;120.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208882;MM208882;C#CC(C=C)=CC1CC1;PKCVLHMGTZUCBH-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208883;MM208883;C#CC(C=O)=CC1CC1;YZIQCDMJYSOGGZ-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208884;MM208884;C#CC(C#N)=CC1CC1;BRBQUDXQTREKTN-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208885;MM208885;C#CC(C#N)=CC1CN1;ZBSQIGRDGYXGBD-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208886;MM208886;C#CC(C=C)=CC1CO1;QQQDKHLNWADLEQ-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208887;MM208887;C#CC(C=O)=CC1CO1;HYDCTPFVRGMBEC-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208888;MM208888;C#CC(C#N)=CC1CO1;ZJAWBKJMQYGCFR-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208889;MM208889;C#CC(C=O)=CN1CC1;IEFUXLKIONFZSC-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208890;MM208890;C#CC(C#N)=CN1CC1;OPROPRMTONRZTC-UHFFFAOYSA-N;118.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208891;MM208891;C#CC(C=C)=NN1CC1;RZKQGQBPHMNMHV-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208892;MM208892;C#CC(C=O)=NN1CC1;JTEZCMKAFPTMFZ-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208893;MM208893;C#CC(C#N)=NN1CC1;VBLXVKFJGPRQRP-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208894;MM208894;C#CC(C#C)=CC1CC1;CNFPTUZPGHYEJZ-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208895;MM208895;C#CC(C#C)=CC1CO1;JYLXMLDBTMLOLU-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208896;MM208896;C#CC(C#C)=NN1CC1;GZGKOIADCQBPIK-UHFFFAOYSA-N;118.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208897;MM208897;CCC(C)CCC1CC1;QWGHZLZCPOZXJO-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208898;MM208898;CC(CN)CCC1CC1;SXBCRBYYLUQSCQ-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208899;MM208899;C=CC=C(CO)OC=NN;AAJKBVZPCRUKNX-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208900;MM208900;CCC(N)CCC1CC1;IDVCXNICOYVCNG-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208901;MM208901;NCC(N)CCC1CC1;DVXVTVSSBBADPN-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208902;MM208902;NC(CO)CCC1CC1;CBYFGSHIBVQMPQ-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208903;MM208903;N=c1nc(CO)c(N)no1;NHKPWLJTJBDOBO-UHFFFAOYSA-N;142.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208904;MM208904;NCC(O)CCC1CC1;XOEJDDONMSIMFG-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208905;MM208905;OCC(O)CCC1CC1;MGTMYEWBJPKAPR-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208906;MM208906;CCC(F)CCC1CC1;ZSUWUKNVHISISQ-UHFFFAOYSA-N;130.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208907;MM208907;NCC(F)CCC1CC1;QOTBZOVJQOFDML-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208908;MM208908;OCC(F)CCC1CC1;MINSUGJLOQJWME-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208909;MM208909;FCC(F)CCC1CC1;JPHDTHVWUSVSQF-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208910;MM208910;CNC(C)CCC1CC1;IEYDXSRGOHHALC-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208911;MM208911;COC(C)CCC1CC1;BAYCSNHHYFMXHW-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208912;MM208912;CCC(C)NCC1CC1;RHSXPSUUWHRARR-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208913;MM208913;CC(CO)NCC1CC1;GZZRCSZAJVKEKE-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208914;MM208914;CC(CF)NCC1CC1;OMRYSGGBSAPYAX-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208915;MM208915;CCC(C)OCC1CC1;LWQOBBZGUCUMSY-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208916;MM208916;COC(C)OCC1CC1;UJXYNSLKFVEPHU-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208917;MM208917;CCC(C)CNC1CC1;GCUFLYQMAVKGBS-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208918;MM208918;CC(CN)CNC1CC1;IPJCDQWLOVXPQI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208919;MM208919;CC(CF)CNC1CC1;AEGFIUDAPBWEPX-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208920;MM208920;CCC(N)CNC1CC1;OLEMOBZEZNTZLB-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208921;MM208921;NCC(N)CNC1CC1;YBJBQMPHFHMFOF-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208922;MM208922;NC(CO)CNC1CC1;KNGOSMVEBJMHGN-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208923;MM208923;CCC(O)CNC1CC1;NNBFZGNSDXDERI-UHFFFAOYSA-N;129.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208924;MM208924;NCC(O)CNC1CC1;UVLCZJIRSQALIW-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208925;MM208925;OCC(O)CNC1CC1;OLNRTDSZFKXCQZ-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208926;MM208926;OC(CF)CNC1CC1;PALRDLAFVRVYTE-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208927;MM208927;CCC(F)CNC1CC1;VPJVPPRHIIWZDL-UHFFFAOYSA-N;131.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208928;MM208928;NCC(F)CNC1CC1;PJDMRMOWZXHYGZ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208929;MM208929;CNC(C)CNC1CC1;QWTBARGRIRENFT-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208930;MM208930;COC(C)CNC1CC1;WVRFHGUJKIFOGJ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208931;MM208931;CCC(C)COC1CC1;GTHSEYFPYPMBOL-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208932;MM208932;CC(CO)COC1CC1;PORWCNCVZYJIAP-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208933;MM208933;CC(CF)COC1CC1;IHJPECKLQAEVAP-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208934;MM208934;CCC(N)COC1CC1;PECINJUIEGRAOF-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208935;MM208935;NCC(N)COC1CC1;MLHAURGAVJUPDE-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208936;MM208936;NC(CO)COC1CC1;NBBHSCSSHMXRSR-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208937;MM208937;CCC(O)COC1CC1;OFDOCPUVXOZMNR-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208938;MM208938;OCC(O)COC1CC1;SEAJKGRYNKVFFR-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208939;MM208939;CNC(C)COC1CC1;RKTYDNHEWDYSEQ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208940;MM208940;COC(C)COC1CC1;XUFZOOFOFKQKOS-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208941;MM208941;CCN(C)CCC1CC1;TYYAYBQIWIKFOJ-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208942;MM208942;CC(CN)CCC1CN1;MWEJEPZYDJIPDI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208943;MM208943;CCC(N)CCC1CN1;FWHJITYNXCUGRQ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208944;MM208944;NCC(N)CCC1CN1;QPPVZUTZVADDDA-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208945;MM208945;NC(CO)CCC1CN1;SSDHMYDBHIBOPW-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208946;MM208946;NCC(O)CCC1CN1;VCKPYAADJHTKKF-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208947;MM208947;NCC(F)CCC1CN1;QRLULMUEYZUJHQ-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208948;MM208948;CNC(C)CCC1CN1;GXYGSRRXEJGOCB-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208949;MM208949;CCC(C)NCC1CN1;PHTLEJLVZJZICY-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208950;MM208950;CC(CN)NCC1CN1;UYSJTIYTOJMDCI-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208951;MM208951;CC(CN)OCC1CN1;DAIZYKODAVATCQ-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208952;MM208952;CCN(C)CCC1CN1;VLOGQJUTXZXLKI-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208953;MM208953;CCC(C)CCC1CO1;XKNGWAHNOBPIEZ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208954;MM208954;CC(CN)CCC1CO1;NGQWUCFEYLPNKX-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208955;MM208955;CC1C2C(C)C(C)(O)CN12;IKOBTFJTRXAOEI-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208956;MM208956;CC(CF)CCC1CO1;DWHYOMBLWZLDKK-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208957;MM208957;CCC(N)CCC1CO1;VARIIIKJVNPRNJ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208958;MM208958;NCC(N)CCC1CO1;OFPYMVQKBUVNNB-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208959;MM208959;NC(CO)CCC1CO1;UCMJPBIXHLMTET-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208960;MM208960;CCC(O)CCC1CO1;WFHGHKCHDDNVOS-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208961;MM208961;OCC(O)CCC1CO1;MRXRZNHGAGKKLO-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208962;MM208962;OC(CF)CCC1CO1;PMHZCZGIEWYRPM-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208963;MM208963;NCC(F)CCC1CO1;MGQFHXSUWUFECM-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208964;MM208964;OCC(F)CCC1CO1;WDGNHWZNEZUYMD-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208965;MM208965;CNC(C)CCC1CO1;BCZIHPIIWIWTPK-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208966;MM208966;COC(C)CCC1CO1;VEIRQVMGIMPYAX-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208967;MM208967;CCC(C)NCC1CO1;FISGQQVJZJDIPM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208968;MM208968;CC(CN)NCC1CO1;OWCUGGAXDIZQJV-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208969;MM208969;CC(CO)NCC1CO1;UNNLTGHOTCNKKX-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208970;MM208970;CCC(C)OCC1CO1;YLBPGQWJOLSWTJ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208971;MM208971;CCN(C)CCC1CO1;UZYHURUNYFTOCN-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208972;MM208972;CC(CN)CCN1CC1;MOWAYHDOTYGDND-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208973;MM208973;CCC(N)CCN1CC1;SPZPWYVPNCCSKF-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208974;MM208974;NCC(N)CCN1CC1;OAJCRZIMOWOHED-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208975;MM208975;NN=C(CO)C(=NN)NN;UJSLTMCPSJAZTO-UHFFFAOYSA-N;146.15;-2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208976;MM208976;NCC(O)CCN1CC1;VPVKYNRYMOWXDH-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208977;MM208977;CNC(C#N)C(=O)COC;NNIHAJKPEAALQC-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208978;MM208978;C=CC=C(F)C(CO)=NN;YKHYCESWAZGINF-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208979;MM208979;NCC(F)CCN1CC1;DOXFTZORCCDXEX-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208980;MM208980;N#CC(CO)=C(N)CCF;DLFUJINLFUCZNR-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208981;MM208981;CNC(C)CCN1CC1;KXYCPOUJGGAILX-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208982;MM208982;CCN(C)CCN1CC1;RPRFJLKHAHQTER-UHFFFAOYSA-N;128.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208983;MM208983;C=CC(C)CCC1CC1;DDMIOAACYMAIMD-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208984;MM208984;CC(C=O)CCC1CC1;CWYAASIVOKRKRO-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208985;MM208985;CC(C#N)CCC1CC1;GGRZQYQGBSCYDM-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208986;MM208986;C=CC(N)CCC1CC1;MEWHUNHZJYHUTA-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208987;MM208987;C=CCC(N)=C(C#N)CO;ZRFGVLPTEJZPLB-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208988;MM208988;O=CC(O)CCC1CC1;JJFRULZCGMPVHZ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208989;MM208989;N#CC(O)CCC1CC1;SIIUPUPTDXKCDF-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208990;MM208990;C=CC(F)CCC1CC1;ZYUAMEQNCZZWMQ-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208991;MM208991;O=CC(F)CCC1CC1;BEYUAGFCIQBSCA-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208992;MM208992;N#CC(F)CCC1CC1;GNQHNJKIBCQAGU-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208993;MM208993;C=CC(C)NCC1CC1;ATMMSFORXMMZER-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208994;MM208994;CC(C=O)NCC1CC1;JACUCYROPSHSRI-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208995;MM208995;CC(C#N)NCC1CC1;QAGWNQSQUJEMEF-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208996;MM208996;CC(C#N)OCC1CC1;KEZVROPOFXJXQM-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208997;MM208997;C=CC(C)CNC1CC1;VXXORTTZDLGGHE-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208998;MM208998;CC(C=O)CNC1CC1;BQOLKIKPAQDGRM-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM208999;MM208999;C=CC(N)CNC1CC1;JQUSJIKCMFQOOB-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209000;MM209000;C=CC(O)CNC1CC1;ORKHFPUXCWCABI-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209001;MM209001;O=CC(O)CNC1CC1;MUSBPKMZOPRVGL-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209002;MM209002;C=CC(F)CNC1CC1;JTVFACBTGXAQFT-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209003;MM209003;C=CC(C)COC1CC1;BOBQZLLZOVWHNU-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209004;MM209004;CC(C=O)COC1CC1;JKAHCEVINUKDFZ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209005;MM209005;CC(C#N)COC1CC1;KZRPMGYSQNSMKQ-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209006;MM209006;C=CC(N)COC1CC1;ZTYCBZRXZIXAGO-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209007;MM209007;N#CC(O)COC1CC1;HLQMRMSSODISEM-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209008;MM209008;C=CC(F)COC1CC1;YNIQXUSOTCALCY-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209009;MM209009;O=CC(F)COC1CC1;VCSWSKMSJDBVCC-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209010;MM209010;CN(C=N)CCC1CC1;FIBNZAKSOSZNRR-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209011;MM209011;CN(C=O)CCC1CC1;XFAIWQFHQQDQJD-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209012;MM209012;N=CN(N)CCC1CC1;CQGKOJAFATYZOR-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209013;MM209013;NN(C=O)CCC1CC1;YOIDSMAUCJXTJY-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209014;MM209014;N=CN(O)CCC1CC1;UOFLTSVSROWLAZ-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209015;MM209015;O=CN(O)CCC1CC1;KOWMUPJWTFHCCN-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209016;MM209016;C=NN(C)CCC1CC1;AKYJSIGDTJVZEE-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209017;MM209017;CN(C=N)NCC1CC1;DFDSWOJRTUMHCK-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209018;MM209018;CN(C=O)NCC1CC1;RSZBUGBXHURFFJ-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209019;MM209019;CN(C=N)OCC1CC1;GVXIGQXCQWJNGH-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209020;MM209020;CN(C=O)OCC1CC1;VUNVLIVRVNKULI-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209021;MM209021;C=CC(N)CCC1CN1;SLYNMJYVYPDBJA-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209022;MM209022;C=CC(C)NCC1CN1;SCVHFKBJGABGQI-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209023;MM209023;CN(C=N)CCC1CN1;WUDSBWZBUIXVKS-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209024;MM209024;N=CN(N)CCC1CN1;XTDAOLDWYPKYMD-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209025;MM209025;N=CN(O)CCC1CN1;DBJPAMVTCPVPGL-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209026;MM209026;CN(C=N)NCC1CN1;GUXMIGLLDDMYKX-UHFFFAOYSA-N;128.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209027;MM209027;CN(C=N)OCC1CN1;FRGBOJDEQCEFKD-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209028;MM209028;C=CC(C)CCC1CO1;URMIZTUXRPNPSF-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209029;MM209029;CC(C=O)CCC1CO1;IVIOZTXYCCEJSF-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209030;MM209030;CC(C#N)CCC1CO1;CQZMOKOPVQRABP-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209031;MM209031;C=CC(N)CCC1CO1;CDSPVJNXRLCLCK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209032;MM209032;C=CC(O)CCC1CO1;VTQLFSCTBSVENL-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209033;MM209033;N#CC(O)CCC1CO1;PLLAJBAHDALPMC-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209034;MM209034;C=CC(F)CCC1CO1;DZNASKFEDRIZSD-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209035;MM209035;N#CC(F)CCC1CO1;ULWIJFPOTNKSBR-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209036;MM209036;C=CC(C)NCC1CO1;PTQFXVCXCBKHEJ-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209037;MM209037;C=CC(C)OCC1CO1;ZOTQIWURZSCHDM-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209038;MM209038;CC(C#N)OCC1CO1;LVYOUKISKQYSOY-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209039;MM209039;CN(C=N)CCC1CO1;XMAPQVUJXSBIOS-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209040;MM209040;CN(C=O)CCC1CO1;YWSKUFMZKCDZDX-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209041;MM209041;N=CN(N)CCC1CO1;OWTIVJIVEILXIR-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209042;MM209042;NN(C=O)CCC1CO1;FGAUOIRMQPRSJY-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209043;MM209043;N=CN(O)CCC1CO1;QXJGRYJESACHIY-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209044;MM209044;O=CN(O)CCC1CO1;BRVUSGUTHBALEC-UHFFFAOYSA-N;131.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209045;MM209045;C=NN(C)CCC1CO1;UWPJSUBXWBEMKD-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209046;MM209046;CN(C=N)NCC1CO1;MCDDPNINUWFZCH-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209047;MM209047;CN(C=O)NCC1CO1;VEMXBFKAWORSHF-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209048;MM209048;CN(C=O)OCC1CO1;KKAVSHKZBMRVSU-UHFFFAOYSA-N;131.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209049;MM209049;C=CC12CC1N(O)C(C)=N2;KULKPWUHVBXIHH-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209050;MM209050;CC(C#N)CCN1CC1;NAWWXWZSUSBHHE-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209051;MM209051;C=CC(N)CCN1CC1;JMVWRBMWIITJLW-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209052;MM209052;CC1=NC2(C#N)CC2N1O;JOWIRBHUIPFXQF-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209053;MM209053;C#CC12CC1N(O)C(C)=N2;ZBVKNZBCHVWILD-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209054;MM209054;CN(C=N)CCN1CC1;KVDMOTFXDLAXOQ-UHFFFAOYSA-N;127.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209055;MM209055;CN(C=O)CCN1CC1;DEMVYQUTZAUBCL-UHFFFAOYSA-N;128.18;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209056;MM209056;N=CN(N)CCN1CC1;CRGACBOITUOOPM-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209057;MM209057;NN(C=O)CCN1CC1;CFUQIQFMEWVYSP-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209058;MM209058;C=NN(C)CCN1CC1;XIVMDQXWVSNEBJ-UHFFFAOYSA-N;127.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209059;MM209059;C#CC(C)CCC1CC1;BAZCMVLOIOLVPE-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209060;MM209060;C#CC(N)CCC1CC1;NIXIQYGZSGEMED-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209061;MM209061;C#CC(O)CCC1CC1;KJQXOOQZHIDHEA-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209062;MM209062;C#CC(F)CCC1CC1;AXBYUVVPPIPMGS-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209063;MM209063;C#CC(C)NCC1CC1;YEURLPCMQCPSCY-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209064;MM209064;C#CC(C)OCC1CC1;VILLMBDKCIXUAZ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209065;MM209065;C#CC(C)CNC1CC1;QNQPIPNBIGOFME-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209066;MM209066;C#CC(N)CNC1CC1;DLGGVYLKEDUAOG-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209067;MM209067;C#CC(C)COC1CC1;COPURRIZOZMTRM-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209068;MM209068;C#CC(N)COC1CC1;LABHNRRYLBUSEN-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209069;MM209069;C#CC(N)CCC1CN1;FADIPLDBMCGGGG-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209070;MM209070;C#CC(C)NCC1CN1;ARXOKYUFHMFFRP-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209071;MM209071;C#CC(C)CCC1CO1;YOJQBNPXCUBWIF-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209072;MM209072;C#CC(N)CCC1CO1;XPBZACOTYQOJRS-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209073;MM209073;C#CC(O)CCC1CO1;KHCUVZDEJKODFD-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209074;MM209074;C#CC(F)CCC1CO1;IIEZKTLGLXBBLM-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209075;MM209075;C#CC(C)NCC1CO1;SWQKSCWMIXTYBN-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209076;MM209076;C#CC(C)OCC1CO1;MRDUXPKCHGNMCV-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209077;MM209077;C#CC(N)CCN1CC1;CIQFZSCJHWTMIG-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209078;MM209078;C#CC(F)CCN1CC1;GCDKBUCKBHFTPN-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209079;MM209079;C=C(CC)CCC1CC1;SXYQUWNPYUIILA-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209080;MM209080;C=C(CN)CCC1CC1;MOXXOGZZQLNPMP-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209081;MM209081;C=C(CO)CCC1CC1;TVGPCMYGKKIQBM-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209082;MM209082;C=C(CF)CCC1CC1;CBZBVEHOMBRXOW-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209083;MM209083;CCC(=O)CCC1CC1;MMEKUKVWKSCOSN-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209084;MM209084;O=C(CO)CCC1CC1;OEYJRRQSEBSGKI-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209085;MM209085;O=C(CF)CCC1CC1;WDWFVCFMERKNHG-UHFFFAOYSA-N;130.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209086;MM209086;CNC(=N)CCC1CC1;FYWRVUFLLDZSLC-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209087;MM209087;N=C(CCC1CC1)NN;DOAHWGNXXWCGGI-UHFFFAOYSA-N;127.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209088;MM209088;N=C(CCC1CC1)NO;MRANZJUNWABQBF-UHFFFAOYSA-N;128.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209089;MM209089;CCc1ncc(CO)n1N;VZLRLBYUHHAIQD-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209090;MM209090;C=Nn1ncc(CO)c1N;OHUBZNALTZJLKG-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209091;MM209091;O=C(CCC1CC1)NO;HUOQULBMQXYCMS-UHFFFAOYSA-N;129.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209092;MM209092;C=C(CCC1CC1)OC;WULQTBSVLFCYEM-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209093;MM209093;COC(=O)CCC1CC1;DMDYEWLAYWQSNX-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209094;MM209094;CCC(=N)NCC1CC1;IGRPTYBWSMVYAD-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209095;MM209095;N=C(CN)NCC1CC1;ALPAWWHMWONVFA-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209096;MM209096;N=C(CO)NCC1CC1;ZNUZCGKENDGVEF-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209097;MM209097;CNC(=N)NCC1CC1;FSDTWGWASRJROA-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209098;MM209098;O=C(NO)NCC1CC1;IGPHBERHZXOWMD-UHFFFAOYSA-N;130.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209099;MM209099;COC(=N)NCC1CC1;OEVWCDHZHDWKJR-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209100;MM209100;C=C(CC)OCC1CC1;QOBRCCGHPYWYMQ-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209101;MM209101;C=C(CN)OCC1CC1;SEJMDMCTSYYANQ-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209102;MM209102;C=C(CF)OCC1CC1;MOXHGWDXVIQZSC-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209103;MM209103;CCC(=O)OCC1CC1;INNGUIMFCJZAJA-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209104;MM209104;CNC(=N)OCC1CC1;HAVZQKHOACEIEA-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209105;MM209105;COC(=O)OCC1CC1;JMGCQERJQCMLSS-UHFFFAOYSA-N;130.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209106;MM209106;C=C(CC)CNC1CC1;NTCOHFGGVBFSGK-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209107;MM209107;C=C(CN)CNC1CC1;WTUNECIRPYIDQB-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209108;MM209108;C=C(CO)CNC1CC1;WWEXOPYPFZZDJG-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209109;MM209109;C=C(CF)CNC1CC1;VJQQBDBHTYXSIO-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209110;MM209110;CNC(=N)CNC1CC1;QEAYCYCPACFQFE-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209111;MM209111;N=C(CNC1CC1)NN;QOCAYEVYENGRTI-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209112;MM209112;N=C(CNC1CC1)NO;QDGRLGLQGZFQPW-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209113;MM209113;CNC(=O)CNC1CC1;OUOUAKNKPHQWGL-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209114;MM209114;C=C(CNC1CC1)OC;PGBYYLRXNCYYQL-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209115;MM209115;COC(=O)CNC1CC1;IYYODZWYCOXGOR-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209116;MM209116;CCC(=N)NNC1CC1;YZLJZHHRFWNXKG-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209117;MM209117;N=C(CN)NNC1CC1;NYMARWVXUSDEAQ-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209118;MM209118;CNc1[nH]cc(N=O)c1C;BQPMIWNRRIPINU-UHFFFAOYSA-N;139.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209119;MM209119;CNC(=N)NNC1CC1;FJNFWNVGRHACHM-UHFFFAOYSA-N;128.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209120;MM209120;N#CC#CC1NC1C(N)=O;CLLOJVHWDWKERG-UHFFFAOYSA-N;135.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209121;MM209121;C=C(CC)COC1CC1;TWWFAQIDTCBSIK-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209122;MM209122;C=C(CN)COC1CC1;NMEWCZPFYSBJFB-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209123;MM209123;C=C(CO)COC1CC1;DVFWOTKFPSSPOC-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209124;MM209124;C=C(CF)COC1CC1;UEJBYPOQJMFKCW-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209125;MM209125;CCC(=O)COC1CC1;MKTMNGSETISVQZ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209126;MM209126;O=C(CO)COC1CC1;PEAHLLRUHRNIRF-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209127;MM209127;O=C(CF)COC1CC1;MCUGVAKVDSTEFU-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209128;MM209128;CNC(=N)COC1CC1;QVLZUOIEODNNHE-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209129;MM209129;C=C(COC1CC1)OC;MULDQBSWDHLDLM-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209130;MM209130;CCC(=N)NOC1CC1;RNWPCEPTZQUJCU-UHFFFAOYSA-N;128.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209131;MM209131;N=C(CN)NOC1CC1;ZGHFJHOETQNQDB-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209132;MM209132;CCC(=O)NOC1CC1;KZPQATJTIFVKFF-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209133;MM209133;O=C(NO)NOC1CC1;ICVAYSGNDPVJSB-UHFFFAOYSA-N;132.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209134;MM209134;C=C(CN)CCC1CN1;WOXUYXRJQQYNEB-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209135;MM209135;CNC(=N)CCC1CN1;FPWDWKLCDNFGMU-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209136;MM209136;N=C(CCC1CN1)NN;BONBJRFOIMGRSI-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209137;MM209137;N=C(CCC1CN1)NO;QJZOMMHISXGWQZ-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209138;MM209138;CCC(=N)NCC1CN1;IROWYHMEWHZBOE-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209139;MM209139;N=C(CN)NCC1CN1;MKPXNWYRBAEHCT-UHFFFAOYSA-N;128.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209140;MM209140;N=C(CO)NCC1CN1;UCUGKVYLVBNDRV-UHFFFAOYSA-N;129.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209141;MM209141;CNC(=N)NCC1CN1;URYJCETUKFRYEN-UHFFFAOYSA-N;128.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209142;MM209142;COC(=N)NCC1CN1;OTEJBLZERROBIA-UHFFFAOYSA-N;129.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209143;MM209143;C=C(CN)OCC1CN1;QDYUUNWKENHSSC-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209144;MM209144;CNC(=N)OCC1CN1;RASVFQUHHZSZIA-UHFFFAOYSA-N;129.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209145;MM209145;C=C(CC)CCC1CO1;FDAUJDOZVBKHAV-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209146;MM209146;C=C(CN)CCC1CO1;GRJCGFLJPFXCFW-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209147;MM209147;C=C(CO)CCC1CO1;DJZCOVLGNYUBJH-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209148;MM209148;C=C(CF)CCC1CO1;PZLWKYRNLNTTOO-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209149;MM209149;CCC(=O)CCC1CO1;CUASOSAJSMZVAD-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209150;MM209150;O=C(CO)CCC1CO1;GNGJQHXCMBWNAU-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209151;MM209151;O=C(CF)CCC1CO1;AMUHFTQNURMDMP-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209152;MM209152;CNC(=N)CCC1CO1;TVKNINADMPXASX-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209153;MM209153;N=C(CCC1CO1)NN;CSLXCGYOAMVTPQ-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209154;MM209154;CNC(=O)CCC1CO1;ZVXGKHHXRNGMOU-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209155;MM209155;O=C(CCC1CO1)NO;KJAWHFCRDJEEPO-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209156;MM209156;C=C(CCC1CO1)OC;QNMJJCBRAINURY-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209157;MM209157;CCC(=N)NCC1CO1;OYVWMDBGHNGQMX-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209158;MM209158;N=C(CN)NCC1CO1;KYKFTVQBXOUZHE-UHFFFAOYSA-N;129.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209159;MM209159;N=C(CO)NCC1CO1;LVKRWXIOEAFPCE-UHFFFAOYSA-N;130.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209160;MM209160;CNC(=N)NCC1CO1;WNJFXRZAYPWLJJ-UHFFFAOYSA-N;129.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209161;MM209161;O=C(NO)NCC1CO1;MYAHPJJELWIVLS-UHFFFAOYSA-N;132.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209162;MM209162;C=C(CN)OCC1CO1;MBINBLBNEDXUNV-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209163;MM209163;CNC(=N)OCC1CO1;RTGJMFLTBHXKOE-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209164;MM209164;C=C(CN)CCN1CC1;XHYFHSWBMCUUSG-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209165;MM209165;CNN=CCC=CNC=O;RPWKNFCXPGKAGY-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209166;MM209166;CON=CCC=CNC=O;KLCCLKWYSMORKX-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209167;MM209167;N#CC(CO)=C(N)C1CC1;JLHCJCQEOUPXAA-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209168;MM209168;CNC(=N)CCN1CC1;ZIBUGPYMUHUQJW-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209169;MM209169;N=C(CCN1CC1)NN;LNUDBWNEMYIVBX-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209170;MM209170;N=C(CCN1CC1)NO;ZVQHFORUJJASQU-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209171;MM209171;CC(=C(C#N)CO)N1CC1;VGDHBNNWVRDPJW-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209172;MM209172;N#CC1(CO)CC1N1CC1;CJGZSIRZRYWFMR-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209173;MM209173;O=C(CCN1CC1)NO;ZEATVRVYAQLYKP-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209174;MM209174;COC(=O)CCN1CC1;IKMSGGHCWBSOOO-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209175;MM209175;C=CC(=C)CCC1CC1;TUJYKCKZIRBDAQ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209176;MM209176;C=C(C=O)CCC1CC1;RGXSHFPIVFZXMO-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209177;MM209177;C=C(C#N)CCC1CC1;RHFVWJHSJRLPQM-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209178;MM209178;C=CC(=O)CCC1CC1;OJXREMGQQLBAIV-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209179;MM209179;O=CC(=O)CCC1CC1;SUJKSPGNMUOFAA-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209180;MM209180;N#CC(=O)CCC1CC1;DVGSSLFWRJKKKX-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209181;MM209181;C=CC(=N)NCC1CC1;URMTVQQOEJRVCM-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209182;MM209182;N=C(C=O)NCC1CC1;MCIFAYKDTSPQMZ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209183;MM209183;N#CC(=N)NCC1CC1;VEQLQHGITNYSAM-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209184;MM209184;NNc1c[nH]nn1;HYXVVRJLDCYSLX-UHFFFAOYSA-N;99.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209185;MM209185;N#CC(=O)NCC1CC1;PNMMVEHUXXMVLK-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209186;MM209186;C=CC(=C)OCC1CC1;AQPLCCOAYBJMCF-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209187;MM209187;C=C(C#N)OCC1CC1;BZXPQSXFBKAGPS-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209188;MM209188;C=CC(=O)OCC1CC1;UBKKWMPLFGPDJN-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209189;MM209189;O=CC(=O)OCC1CC1;AWKIEBMQCVEMFD-UHFFFAOYSA-N;128.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209190;MM209190;C=CC(=C)CNC1CC1;BPMPDTLSKYUBLA-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209191;MM209191;C=C(C=O)CNC1CC1;SNIJVNSUVZFAJY-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209192;MM209192;CC1=NC(=N)CN1O;CFWQWSNNLJBTKX-UHFFFAOYSA-N;113.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209193;MM209193;C=CC(=N)NNC1CC1;IVKVTZOYAGJHRW-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209194;MM209194;CC1C=CC(=NN)O1;XZNUFGMXHDMSJB-UHFFFAOYSA-N;112.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209195;MM209195;CC(C)(C)N(O)C=NN;XEQUKTYTAPGJOX-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209196;MM209196;C=CC(=C)COC1CC1;NNEFDCQTRYEGSB-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209197;MM209197;C=C(C=O)COC1CC1;TVFQGNJHKGXERP-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209198;MM209198;C=C(C#N)COC1CC1;POYNTMILEFGHMF-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209199;MM209199;C=CC(=O)COC1CC1;MCGNFANATMTFPG-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209200;MM209200;O=CC(=O)COC1CC1;VFLVQUYCYNOJLA-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209201;MM209201;CC1(O)CC(=O)N(N)C1;YPIZCRDBJDXJEL-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209202;MM209202;C=CC(=N)NCC1CN1;XFCAYBDXPFTCAV-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209203;MM209203;C=CC(=C)CCC1CO1;QJWTXEPRDLCDRE-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209204;MM209204;C=C(C=O)CCC1CO1;DQUGHUBKFWMUBY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209205;MM209205;C=C(C#N)CCC1CO1;QCHNGPBXFWZLCZ-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209206;MM209206;C=CC(=O)CCC1CO1;PKQBTPDYOCGTDH-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209207;MM209207;O=CC(=O)CCC1CO1;QXKMJYCWRQJUQK-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209208;MM209208;N#CC(=O)CCC1CO1;VURHKGINIXEJGE-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209209;MM209209;C=CC(=N)NCC1CO1;MUEBSPZRSBXCSB-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209210;MM209210;N=C(C=O)NCC1CO1;JUUVJKGKNRLXMV-UHFFFAOYSA-N;128.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209211;MM209211;N#CC(=O)NCC1CO1;SRRYNNJXTOXUOC-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209212;MM209212;C=C(C#N)OCC1CO1;UAFFJOCHWOGDTH-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209213;MM209213;C=CC(=O)OCC1CO1;RPQRDASANLAFCM-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209214;MM209214;O=CC(=O)OCC1CO1;CIGCXCHHVNUWAA-UHFFFAOYSA-N;130.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209215;MM209215;N#CC(=O)OCC1CO1;YDDWGNAUFDVMTA-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209216;MM209216;C=C(C=O)CCN1CC1;IOJGRKNXDCBHSL-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209217;MM209217;C=C(C#N)CCN1CC1;UXOSPIGYRSVYLT-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209218;MM209218;C=NNC1C(C)C1(C)O;VNTKQWUGTDCCBP-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209219;MM209219;C=NNC1CC1(O)CC;XIMFVEXPSOQERE-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209220;MM209220;CN=C1CN(O)C(C)=N1;WUDXUWMDIILPNY-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209221;MM209221;C#CC(=C)CCC1CC1;LIZFPLTVQYPEJU-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209222;MM209222;C#CC(=O)CCC1CC1;YGIAGIAMOHGAFJ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209223;MM209223;C#CC(=N)NCC1CC1;MWIRXGLMDYEAHA-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209224;MM209224;C#CC(=O)NCC1CC1;GDRYPLNTHIQKON-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209225;MM209225;C#CC(=C)OCC1CC1;FUNVNMRPHBZPKT-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209226;MM209226;C#CC(=O)OCC1CC1;UPRGECXMWVBRBW-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209227;MM209227;C#CC(=C)CNC1CC1;XZGPKEJHBPKPFA-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209228;MM209228;C#CC(=N)NNC1CC1;WFQRPKRFVKNENN-UHFFFAOYSA-N;123.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209229;MM209229;C#CC(=C)COC1CC1;GVYBRTJULQZFKF-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209230;MM209230;C#CC(=O)COC1CC1;WETOIPXGBZONBI-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209231;MM209231;C#CC(=N)NCC1CN1;ZDQNAXFGIMPCOV-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209232;MM209232;C#CC(=C)CCC1CO1;XXCBTMAKZWRDPD-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209233;MM209233;C#CC(=O)CCC1CO1;GOZJJLQTZFTMIF-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209234;MM209234;C#CC(=N)NCC1CO1;OUCNWFIBOAKRIX-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209235;MM209235;C#CC(=O)NCC1CO1;OOCKIIMDVCJUMI-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209236;MM209236;C#CC(=C)OCC1CO1;MOVCLNOAZFPQRZ-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209237;MM209237;C#CC(=O)OCC1CO1;RMIGZVPPANZEHX-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209238;MM209238;CC=Cc1cc(N)[nH]n1;FBUBAVHSSYTZFS-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209239;MM209239;CC=C(C)CCC1CC1;SUHLQNRQJNWVSH-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209240;MM209240;CC(=CF)CCC1CC1;FETSVMGESIFUTK-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209241;MM209241;CC=C(F)CCC1CC1;MFUISXINLMBPRD-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209242;MM209242;CC(CCC1CC1)=NN;QEUVQUALBCNVPM-UHFFFAOYSA-N;126.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209243;MM209243;CC(CCC1CC1)=NO;MTGHAQKKZDPEOQ-UHFFFAOYSA-N;127.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209244;MM209244;CN=C(C)NCC1CC1;UNBMQRZSQAEOCT-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209245;MM209245;CC(=NN)NCC1CC1;KYRCKUMAKIGVDA-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209246;MM209246;CC1=NC2(C)CC2N1O;KJICMTOJXKXCIS-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209247;MM209247;CC=C(C)OCC1CC1;PROKCFZJUVGVDS-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209248;MM209248;CC(=CF)OCC1CC1;DUMLRZKGYQHYHY-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209249;MM209249;CC1C(CO)N=CN1O;FBKWKUDZXZHHNR-UHFFFAOYSA-N;130.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209250;MM209250;CC(=NO)OCC1CC1;XSIVSPODRWZIEB-UHFFFAOYSA-N;129.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209251;MM209251;CC=C(C)CNC1CC1;KRNGASLNIMCRGB-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209252;MM209252;CC(=CF)CNC1CC1;WATJUHOOWLJOGA-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209253;MM209253;CN=C(C)NNC1CC1;CLTYJAPVGJRZLD-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209254;MM209254;C#CC(F)C(CO)=NN;KLKRYDXAXXOYIY-UHFFFAOYSA-N;130.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209255;MM209255;CC=C(C)COC1CC1;IVFZCOYAHUYJHD-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209256;MM209256;CC(=CF)COC1CC1;HWIBTWYNBDLNFN-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209257;MM209257;FC=C(F)COC1CC1;BDXMYMSZDHDJPT-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209258;MM209258;CC(COC1CC1)=NN;NGLFRQRXDKUBCG-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209259;MM209259;CC(COC1CC1)=NO;NNMCCCCKPZDDRL-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209260;MM209260;CN=C(C)NOC1CC1;YNBUSAWQLBGOJJ-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209261;MM209261;CC(=NOC1CC1)NN;TUKPYJDLMLOCAE-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209262;MM209262;OCC1=NNC(CO)C1;XAFPUUKWOVFLTI-UHFFFAOYSA-N;130.15;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209263;MM209263;CN=C(C)NCC1CN1;TTXFBNOGSIHWKV-UHFFFAOYSA-N;127.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209264;MM209264;CC(=NCC1CN1)NN;WVFGYKUYKWKKRD-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209265;MM209265;CC=C(C)CCC1CO1;UQTBELGJIWWPKB-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209266;MM209266;CC(=CF)CCC1CO1;DWPLAHPPLYDCPX-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209267;MM209267;CC=C(F)CCC1CO1;YCJSMXXHBAJDPY-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209268;MM209268;FC=C(F)CCC1CO1;PZEKWOMZALEAIK-UHFFFAOYSA-N;134.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209269;MM209269;CC(CCC1CO1)=NN;YMUPBPLQXLVBAF-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209270;MM209270;CC(CCC1CO1)=NO;DEYREIVQJWLVEE-UHFFFAOYSA-N;129.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209271;MM209271;CN=C(C)NCC1CO1;ZAARHLICHDJAKN-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209272;MM209272;NN=C1CC=C(CO)O1;DVSCZQSKYNICGV-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209273;MM209273;CC=C(C)OCC1CO1;LLYKEHMXABZNQX-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209274;MM209274;CC=C(F)CCN1CC1;YXRNMDQGGPZSIP-UHFFFAOYSA-N;129.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209275;MM209275;FC=C(F)CCN1CC1;AXQKOLYGVFGQET-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209276;MM209276;CC(CCN1CC1)=NN;TWGGHPZKIAXBHS-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209277;MM209277;N#CC(=CN1CC1)CO;WOSYXJDXWZSZIB-UHFFFAOYSA-N;124.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209278;MM209278;CCC(C)C=CC1CC1;GIZMLZOHILCXFY-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209279;MM209279;CC(C=CC1CC1)CN;ZCCDNEBHZJSJHR-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209280;MM209280;CNN=CN(O)C(C)(C)C;RKUWUTDWJYCFPO-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209281;MM209281;CC(C=CC1CC1)CF;OLYAEWRLYDLAGZ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209282;MM209282;CCC(N)C=CC1CC1;IQGXZFINUFCMTF-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209283;MM209283;NCC(N)C=CC1CC1;PJBYUZUGIJJLIM-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209284;MM209284;NC(C=CC1CC1)CO;RHKAERDMSLUEGP-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209285;MM209285;NC(C=CC1CC1)CF;WCGAQRZYIUKBDT-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209286;MM209286;C=C(CO)OC(=O)C(=N)N;YCNOYNSFPBXNBS-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209287;MM209287;NCC(O)C=CC1CC1;NJLPSBQEXNNDDN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209288;MM209288;OCC(O)C=CC1CC1;VWGBTYBAJPXRDF-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209289;MM209289;OC(C=CC1CC1)CF;CNAZJRHPOVRZKA-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209290;MM209290;CCC(F)C=CC1CC1;NSJHKHJTOCNZBT-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209291;MM209291;NCC(F)C=CC1CC1;NMXKCVZJLQAFHR-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209292;MM209292;OCC(F)C=CC1CC1;WTAFVBWMSILDNH-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209293;MM209293;CNC(C)C=CC1CC1;YIGMAZCLZJWOOL-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209294;MM209294;COC(C)C=CC1CC1;GDMUZNCISMERFD-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209295;MM209295;CCN(C)N=CC1CC1;AQUTTWFEERQXOA-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209296;MM209296;CCN(C)C=NC1CC1;QPSQWNUHFUDPJW-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209297;MM209297;CCN(N)C=NC1CC1;RSPLNKDACAPXQJ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209298;MM209298;CNN(C)C=NC1CC1;HIAFCRIFTDRWMY-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209299;MM209299;CC(C=CC1CN1)CN;RLHIBKQBBXOFTG-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209300;MM209300;CCC(N)C=CC1CN1;FPOAWXHJUZITCX-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209301;MM209301;NCC(N)C=CC1CN1;GBMXGODABNSPNU-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209302;MM209302;NC(C=CC1CN1)CO;NCYHYCKRVPMTPW-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209303;MM209303;NC(C=CC1CN1)CF;NFPABOOYRNTAOQ-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209304;MM209304;NCC(O)C=CC1CN1;SGILFOIUENGHLW-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209305;MM209305;NCC(F)C=CC1CN1;FGGNLKUBUCJEEW-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209306;MM209306;CNC(C)C=CC1CN1;XMMHORWVYNQSLK-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209307;MM209307;CCN(C)N=CC1CN1;QYVKJZPXEBIIQD-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209308;MM209308;CCC(C)C=CC1CO1;NTNBPIWJYRLJHW-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209309;MM209309;CC(C=CC1CO1)CN;BMANUEDRQOKICV-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209310;MM209310;C#CC(N)=NC(=N)C(N)=O;OQRGMGRBKYVNPK-UHFFFAOYSA-N;138.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209311;MM209311;CCC(N)C=CC1CO1;GWXQSQVRYDTYSK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209312;MM209312;NCC(N)C=CC1CO1;KDYBXOXWFRBKAG-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209313;MM209313;NC(C=CC1CO1)CO;QMZMCNLRQXBZSF-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209314;MM209314;CCC(O)C=CC1CO1;RWVPRYAKIBQGLB-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209315;MM209315;NCC(O)C=CC1CO1;GRDYOLIZAARMIL-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209316;MM209316;OCC(O)C=CC1CO1;WFTPOEPFYHIHBY-UHFFFAOYSA-N;130.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209317;MM209317;OC(C=CC1CO1)CF;BXSXPPKCGWLIIV-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209318;MM209318;CCC(F)C=CC1CO1;BRJINXJMGAJCPI-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209319;MM209319;NCC(F)C=CC1CO1;KDWPETJWMKCJGK-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209320;MM209320;OCC(F)C=CC1CO1;HDAPPAXFXKSRQF-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209321;MM209321;CNC(C)C=CC1CO1;WFQMCVIKCKSELK-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209322;MM209322;COC(C)C=CC1CO1;COSDFIGESBXODU-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209323;MM209323;CCN(C)N=CC1CO1;IYTYBBKVQONHEC-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209324;MM209324;CCC(C)N=CN1CC1;NCYPKBMWDJCLPQ-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209325;MM209325;CC(CN)N=CN1CC1;BNVJIWGTGIFZDS-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209326;MM209326;CC(CO)N=CN1CC1;LXXZCOWKSWGOAL-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209327;MM209327;CCC(C)C=NN1CC1;ZDURDYCLUZGGDL-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209328;MM209328;CC(C=NN1CC1)CN;FNFXEQFUNSHEHX-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209329;MM209329;CC(CO)=NN=CN(C)O;BIZIKVCPQWVBLK-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209330;MM209330;CC(C=NN1CC1)CF;DRDWYWSMWHKVRU-UHFFFAOYSA-N;130.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209331;MM209331;CCC(N)C=NN1CC1;NKWKMDMOWPDPDG-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209332;MM209332;NCC(N)C=NN1CC1;CFAPTHZDQLXHDJ-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209333;MM209333;CC=NNC1C(C)C1(C)O;YOFAMBBZLRWWQW-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209334;MM209334;NCC(O)C=NN1CC1;PUVPCBBTYAWXMN-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209335;MM209335;CNC(C#N)(C=O)CC=O;MVTBHYDWPRZCQZ-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209336;MM209336;NN=C(CO)CC1(O)CC1;CTPVRWQZVVSZOX-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209337;MM209337;CCN(C)C=NN1CC1;ABMUEXQLJNUPBM-UHFFFAOYSA-N;127.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209338;MM209338;CC=C(CO)OC(C)=NN;NLJNIGINTTVKQZ-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209339;MM209339;C=CC(C)C=CC1CC1;GAVXKGWJFRPGSV-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209340;MM209340;CC(C=O)C=CC1CC1;XGMPUXCOUVJWBX-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209341;MM209341;CC(C#N)C=CC1CC1;FZKKIGSGKUMGPI-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209342;MM209342;C=CC(N)C=CC1CC1;MUOLEGNFFFFPCH-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209343;MM209343;C=CC(O)C=CC1CC1;PNBSJGONTYDWKD-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209344;MM209344;O=CC(O)C=CC1CC1;RONCIWZDZMSUNE-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209345;MM209345;N#CC(O)C=CC1CC1;AEKSGYWGVCKEDF-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209346;MM209346;C=CC(F)C=CC1CC1;MWJFXTAQIIQWGV-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209347;MM209347;O=CC(F)C=CC1CC1;ZGYVMSZYVDWQQH-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209348;MM209348;N#CC(F)C=CC1CC1;WFXQGTIXDZRGSN-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209349;MM209349;CN(C=N)C=CC1CC1;RFEQOJFRCLVRDQ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209350;MM209350;CN(C=O)C=CC1CC1;FURGXFZFAOIYIE-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209351;MM209351;N=CN(N)C=CC1CC1;LEGWJKDAXKUOKN-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209352;MM209352;NN(C=O)C=CC1CC1;OAOZUWGIDDADFI-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209353;MM209353;N=CN(O)C=CC1CC1;CVUJPJHPPGAPCR-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209354;MM209354;O=CN(O)C=CC1CC1;KQNVQKFTTNDJCV-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209355;MM209355;CN(C=N)N=CC1CC1;SDAGKDWFPPICKZ-UHFFFAOYSA-N;125.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209356;MM209356;CN(C=O)N=CC1CC1;DZVHJENBCDXHOO-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209357;MM209357;C=CN(C)C=NC1CC1;BVFMNQUQUFTEQD-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209358;MM209358;CN(C=N)C=NC1CC1;OSMLVAAZWSQPFG-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209359;MM209359;CN(C=O)C=NC1CC1;WXZVKYLYBIAHNP-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209360;MM209360;C=CN(N)C=NC1CC1;UKLINRPDIVXOMQ-UHFFFAOYSA-N;125.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209361;MM209361;NN(C=O)C=NC1CC1;BRMBXWLHKXMKOS-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209362;MM209362;C=NN(C)C=NC1CC1;GQYLGSVEKGBJPQ-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209363;MM209363;C=CC(N)C=CC1CN1;KXIUEQUQJOUEOU-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209364;MM209364;CN(C=N)C=CC1CN1;SFSIMXFNXADRCM-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209365;MM209365;N=CN(N)C=CC1CN1;SLJBGCXMIBQOTD-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209366;MM209366;N=CN(O)C=CC1CN1;HXAWJULNNODCQX-UHFFFAOYSA-N;127.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209367;MM209367;CN(C=N)N=CC1CN1;FQPLCWRSHOKRLB-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209368;MM209368;CN(C=O)N=CC1CN1;SCMYSLQVEHDNRT-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209369;MM209369;C=CC(C)C=CC1CO1;SYISVSZGMGJNFM-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209370;MM209370;CC(C=O)C=CC1CO1;UAMRLWAKMKCDQE-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209371;MM209371;CC(C#N)C=CC1CO1;DNBBSEFLQRHGFC-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209372;MM209372;C=CC(N)C=CC1CO1;DFXUIEDLMWISQX-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209373;MM209373;C=CC(O)C=CC1CO1;VKRMNOIDMPOBQB-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209374;MM209374;O=CC(O)C=CC1CO1;NNOLHIFHSXJUGF-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209375;MM209375;N#CC(O)C=CC1CO1;MSODGYKECDMSFS-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209376;MM209376;C=CC(F)C=CC1CO1;DKSVZUYBLKNYLO-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209377;MM209377;O=CC(F)C=CC1CO1;JLKWVUFXVCHCQV-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209378;MM209378;N#CC(F)C=CC1CO1;PVRLOWWRETUDRY-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209379;MM209379;CN(C=N)C=CC1CO1;FJCPBXSVQKOGOR-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209380;MM209380;CN(C=O)C=CC1CO1;UTCUTBAYEYDBTP-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209381;MM209381;N=CN(N)C=CC1CO1;QFESWTQRCABZLH-UHFFFAOYSA-N;127.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209382;MM209382;NN(C=O)C=CC1CO1;YPOSWGSLRUIFRV-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209383;MM209383;N=CN(O)C=CC1CO1;RBAKNWIVXMWYDK-UHFFFAOYSA-N;128.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209384;MM209384;O=CN(O)C=CC1CO1;IJANJYCWIMAOTK-UHFFFAOYSA-N;129.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209385;MM209385;CN(C=O)N=CC1CO1;OBKALYGNEJDOCW-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209386;MM209386;C=CC(C)N=CN1CC1;NYDXFWFCPYCJQV-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209387;MM209387;C=CC(C)C=NN1CC1;YMTYWEQDIITKFC-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209388;MM209388;C#CC1(CO)NC1C(F)F;VVQBWSMPPHSDDE-UHFFFAOYSA-N;147.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209389;MM209389;CC(C#N)C=NN1CC1;JCVWOLVZXPQMHG-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209390;MM209390;C#CC1(CO)NC1C(=C)C;FJRCHCNJTPLYDR-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209391;MM209391;C#CC1(CO)NC1C(=C)F;GYVDIANFHWIMEF-UHFFFAOYSA-N;141.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209392;MM209392;N#CC(O)C=NN1CC1;LDSJEKZNILYHEE-UHFFFAOYSA-N;125.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209393;MM209393;C=CC(F)C=NN1CC1;GMXOEEKUVXDRCJ-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209394;MM209394;C=NN(C)C(=O)NCCF;PHLOGUXIXRDHNM-UHFFFAOYSA-N;147.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209395;MM209395;CN(C=O)N=CN1CC1;YVDJLHWZFHOIIP-UHFFFAOYSA-N;127.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209396;MM209396;CN(C=N)C=NN1CC1;DSYUQFSZNIBPTN-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209397;MM209397;CN(C=O)C=NN1CC1;DPGPOWXKUMJHFG-UHFFFAOYSA-N;127.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209398;MM209398;NN(C=O)C=NN1CC1;BPEBBNVVPZUHKG-UHFFFAOYSA-N;128.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209399;MM209399;N#CC(=O)CNCC=CF;GMHLBLRJVHKFLR-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209400;MM209400;C#CC(F)C(CO)=NNC;CUAYMYOGVTUFSL-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209401;MM209401;C=NN(C)C=NN1CC1;LLLUPOMCVRVAGO-UHFFFAOYSA-N;126.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209402;MM209402;C#CC(C)C=CC1CC1;SXSFTNRTLQZZTI-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209403;MM209403;C#CC(N)C=CC1CC1;SFTGFJJGRRFLQH-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209404;MM209404;C#CC(O)C=CC1CC1;TTXZSPAQVUKBIC-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209405;MM209405;C#CC(F)C=CC1CC1;IYQSBAWEMQJTQB-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209406;MM209406;C#CC(N)C=CC1CN1;WHSOSKSXXDGBFG-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209407;MM209407;C#CC(C)C=CC1CO1;ZRBVEYOQVPTGEV-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209408;MM209408;C#CC(N)C=CC1CO1;XXDFVWCJNNZAOK-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209409;MM209409;C#CC(O)C=CC1CO1;DUVYHKNTPJAXNL-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209410;MM209410;C#CC(F)C=CC1CO1;XNPWYUCNFDVRQH-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209411;MM209411;C#CC(C)C=NN1CC1;RMIUQPFRRZGXJH-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209412;MM209412;C=NOC(C#CC#N)OC;IKILORFIEVNCSI-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209413;MM209413;C#CC(F)C=NN1CC1;YBQFHHKQQBHPRT-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209414;MM209414;C=C(C=CC1CC1)CC;NQLXYEKMCVNUTA-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209415;MM209415;C=C(C=CC1CC1)CN;FIBTXPHHUXBXKG-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209416;MM209416;C=C(C=CC1CC1)CO;VKYCFRYTRGUBTR-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209417;MM209417;C=C(C=CC1CC1)CF;SRDPNVAOSCNZNZ-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209418;MM209418;CCC(=O)C=CC1CC1;IYCQRKRMYQRRIB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209419;MM209419;O=C(C=CC1CC1)CO;RFMURTMFIUUXIO-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209420;MM209420;O=C(C=CC1CC1)CF;NDGXZRVCCSBRJW-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209421;MM209421;CNC(=N)C=CC1CC1;RXJFXAAFUNCDGU-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209422;MM209422;N=C(C=CC1CC1)NN;WGLNUPOJXLXZST-UHFFFAOYSA-N;125.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209423;MM209423;N=C(C=CC1CC1)NO;KSMFBUDDAJVYET-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209424;MM209424;C#CCNC(=NC=O)NO;ZTQMWYYUWDLGOR-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209425;MM209425;C=C(C=CC1CC1)OC;ZYZJYXZWBOZCEW-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209426;MM209426;COC(=O)C=CC1CC1;IPOOZKZLEDMDSB-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209427;MM209427;C=C(C=CC1CN1)CN;LJEXUEHEVSQPHW-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209428;MM209428;CNC(=N)C=CC1CN1;MGTFIPFQIGTWNJ-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209429;MM209429;N=C(C=CC1CN1)NN;OOESNFUMSIKHLF-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209430;MM209430;N=C(C=CC1CN1)NO;WBHWTDVJUSDFDZ-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209431;MM209431;C=C(C=CC1CO1)CC;OXTCDNBXMWYYFU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209432;MM209432;C=C(C=CC1CO1)CN;XVADBWRAIKSCOT-UHFFFAOYSA-N;125.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209433;MM209433;C=C(C=CC1CO1)CO;SHRSLYWTUVJJAL-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209434;MM209434;CCC(=O)C=CC1CO1;INXUOCGQIHJCLO-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209435;MM209435;O=C(C=CC1CO1)CO;LDMNILHBGXWLAU-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209436;MM209436;O=C(C=CC1CO1)CF;KIRWJOAULBCYOB-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209437;MM209437;CNC(=N)C=CC1CO1;RXMGRFRJUHNSBB-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209438;MM209438;N=C(C=CC1CO1)NO;NMCKXGWZIZFICM-UHFFFAOYSA-N;128.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209439;MM209439;CCC=C(CO)OC=NN;MHEMKZVBFXFGCW-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209440;MM209440;C=C(C=CC1CO1)OC;CGXKWMDKPDAMKB-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209441;MM209441;COC(=O)C=CC1CO1;OSSLQUPTKMDLDK-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209442;MM209442;CCC(=O)C=CN1CC1;HCKMDGUJKFTXTK-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209443;MM209443;O=C(C=CN1CC1)CO;TUTJVBJETUBBBL-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209444;MM209444;O=C(C=CN1CC1)CF;LROKBLCVOFYXIH-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209445;MM209445;CNC(=N)C=CN1CC1;CVTOVBPHVLETRG-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209446;MM209446;N=C(C=CN1CC1)NN;WHWGJJUAFJWHNW-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209447;MM209447;N=C(C=CN1CC1)NO;IEXGFDKKKPZQMD-UHFFFAOYSA-N;127.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209448;MM209448;O=C(C=CN1CC1)NO;IVFFUKGVBBDDEF-UHFFFAOYSA-N;128.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209449;MM209449;COC(=O)C=CN1CC1;SKDFDFZPLHLQKN-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209450;MM209450;CCC(=O)N=CN1CC1;MBHNLPPDTOILKL-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209451;MM209451;NN=COC(CO)C(N)=O;VANLKIFWFZTYHM-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209452;MM209452;COC(=NOCCO)NO;RYALLHCXTCEQJJ-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209453;MM209453;CN=CN(O)C(C=O)CO;QAKJDRUODFSCBU-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209454;MM209454;CNC(=N)N=CN1CC1;VJGPHVJJEMDJRI-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209455;MM209455;N=C(N=CN1CC1)NO;LTOPQBDZKBNEIT-UHFFFAOYSA-N;128.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209456;MM209456;NNC(=O)N=CN1CC1;FENCMYAXYCFZCS-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209457;MM209457;COC(=N)N=CN1CC1;PWJUQTLSZQPXDO-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209458;MM209458;C=C(C=NN1CC1)CC;BDYOXNNOAMYBBS-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209459;MM209459;C=C(C=NN1CC1)CN;OLEIDYRIFGEZKR-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209460;MM209460;CC1CN1C=C(C#N)CO;OOAVTTMOCKQPJJ-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209461;MM209461;CCC(=O)C=NN1CC1;JMSVTCLMDTXVOX-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209462;MM209462;O=C(C=NN1CC1)CO;YUEIFJMMEMKVDV-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209463;MM209463;N#CCN1CCC2(O)CC12;UXZOUOGLIFRAMH-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209464;MM209464;CNC(=N)C=NN1CC1;LEQVVNJAKQJGTL-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209465;MM209465;O=C(C=NN1CC1)NO;RXUXPQNFGCGRAA-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209466;MM209466;C=C(C=NN1CC1)OC;KQQLCAFITQNECP-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209467;MM209467;COC(=O)C=NN1CC1;UOWCZHVLTLKYLR-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209468;MM209468;C=CC(=C)C=CC1CC1;CJGLNRRTIWKJQH-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209469;MM209469;C=C(C=O)C=CC1CC1;PXEOJEITOQMZQF-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209470;MM209470;C=C(C#N)C=CC1CC1;KQHJXUGMMYBXLE-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209471;MM209471;C=CC(=O)C=CC1CC1;SNCOTCIPLGTKEA-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209472;MM209472;O=CC(=O)C=CC1CC1;BUNBQSFWQQPDOG-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209473;MM209473;N#CC(=O)C=CC1CC1;XJYJLCXPASVQRV-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209474;MM209474;C=CC(=C)C=CC1CO1;OJQXZVCJNUZFQR-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209475;MM209475;C=C(C=O)C=CC1CO1;LQJNYOPSRROPTO-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209476;MM209476;C=C(C#N)C=CC1CO1;INOKJYPHUFDFPJ-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209477;MM209477;C=CC(=O)C=CC1CO1;WINFXRATLHMKIW-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209478;MM209478;O=CC(=O)C=CC1CO1;BAPAUQRQUCHGOZ-UHFFFAOYSA-N;126.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209479;MM209479;N#CC(=O)C=CC1CO1;LTSFJOKQQHYRCR-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209480;MM209480;C=CC(=O)C=CN1CC1;GSBPGLWUKVEZHS-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209481;MM209481;O=CC(=O)C=CN1CC1;XXHNSDOZQRBFHP-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209482;MM209482;N#CC(=O)C=CN1CC1;CAQSYZNKLNNKDA-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209483;MM209483;N=C(C=O)N=CN1CC1;FKUWQIDXFCPUDB-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209484;MM209484;N#CC(=N)N=CN1CC1;SIDJYMGGXOZSBZ-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209485;MM209485;C=CC(=O)N=CN1CC1;BTNHCNVJEBWUSU-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209486;MM209486;N#CC(=O)N=CN1CC1;PFKCKBCGWIIAPP-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209487;MM209487;C=CC(=C)C=NN1CC1;BCXGKZNACUUWAD-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209488;MM209488;C=C(C=O)C=NN1CC1;WGCKZMCAHHMYNN-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209489;MM209489;C=C(C#N)C=NN1CC1;METQWGPAARWHPQ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209490;MM209490;C=CC(=O)C=NN1CC1;ICCCNJYMAGKAFO-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209491;MM209491;O=CC(=O)C=NN1CC1;XGBLDLSVQLICDJ-UHFFFAOYSA-N;126.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209492;MM209492;N#CC(=O)C=NN1CC1;XNGPWOGMRZJQGY-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209493;MM209493;C#CC(=C)C=CC1CC1;PBRTVMLSYMQQSG-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209494;MM209494;C#CC(=O)C=CC1CC1;IZFRDINZHRTPNI-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209495;MM209495;C#CC(=C)C=CC1CO1;ATQGYOQZVNUOAN-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209496;MM209496;C#CC(=O)C=CC1CO1;GDLPKBUVNHENRY-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209497;MM209497;C#CC(=O)C=CN1CC1;VHXCYQHFBHCPFS-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209498;MM209498;C=NNCCC=CNC=O;WPCBJSZZDOQJJP-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209499;MM209499;C#CC(=C)C=NN1CC1;KKVQGQSVOAMSEM-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209500;MM209500;OCC1C=CC(NO)=NO1;NBGPHDVINXIDQJ-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209501;MM209501;CC=C(C)C=CC1CC1;PIXQKDLLOHKCDY-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209502;MM209502;CC(C=CC1CC1)=CF;XNXWIUQYCQFSFN-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209503;MM209503;CC=C(F)C=CC1CC1;JDWGEHDSNCJZFN-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209504;MM209504;FC=C(F)C=CC1CC1;JCMZHSAVVSQHNA-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209505;MM209505;CC(C=CC1CC1)=NN;FMZUUUODKMGZRN-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209506;MM209506;N#CC(=CNC1CC1)CO;OMLKDXJCIOSGAB-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209507;MM209507;CC=C(C)C=CC1CO1;JICQPQSOZOWHCB-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209508;MM209508;CC(C=CC1CO1)=CF;HLEKYUOSLIPGJX-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209509;MM209509;CC=C(F)C=CC1CO1;UHPVHSMGYYBRQR-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209510;MM209510;FC=C(F)C=CC1CO1;ZBPDHVZNUIDXPO-UHFFFAOYSA-N;132.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209511;MM209511;CC(C=CC1CO1)=NN;CQBBFPIFYHXNKY-UHFFFAOYSA-N;126.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209512;MM209512;CC1(C)CN=CN1O;RRFFWLJPHFTVCR-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209513;MM209513;CN=C1CN(N)C=N1;QLVHHUYBSSSLNK-UHFFFAOYSA-N;112.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209514;MM209514;CC=C(C)C=NN1CC1;VYADCFUQFKZOMH-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209515;MM209515;CC(C=NN1CC1)=CF;RMGWOWCZTRVFRY-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209516;MM209516;NC=C(F)C=NN1CC1;XLTYUALJQINBMA-UHFFFAOYSA-N;129.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209517;MM209517;CCC(C)C#CC1CC1;OCPKZSWIJGCXMJ-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209518;MM209518;CC(C#CC1CC1)CN;AVWDEVJPTRZWRH-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209519;MM209519;CC(C#CC1CC1)CO;NVDOJGWIYQDGJJ-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209520;MM209520;CC(C#CC1CC1)CF;KSCHEYVSEYTIHT-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209521;MM209521;CCC(N)C#CC1CC1;KNZOYYJRNDAVSX-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209522;MM209522;NCC(N)C#CC1CC1;GACWLXKYYIOZFQ-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209523;MM209523;NC(C#CC1CC1)CO;JGJRRRNLDSSHEA-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209524;MM209524;CCC(O)C#CC1CC1;RKRDLHOQLLYXKC-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209525;MM209525;NCC(O)C#CC1CC1;RHHNOHZBWRJNRC-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209526;MM209526;OC(C#CC1CC1)CF;IPOPQMLXDJVQDN-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209527;MM209527;CNC(C)C#CC1CC1;DFGCEBPLVOGDJR-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209528;MM209528;COC(C)C#CC1CC1;UYUJXUFHVLMNGW-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209529;MM209529;CCC(C)C#CC1CN1;OEEZGWBTQGKOTN-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209530;MM209530;CC(C#CC1CN1)CN;XUQXQAXNIMIWSH-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209531;MM209531;CC12CC1N=CN2O;OGCITTGGNUZHRK-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209532;MM209532;CC(C#CC1CN1)CF;DZFBFHJSOWUUQM-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209533;MM209533;CCC(N)C#CC1CN1;LXUTXNZEKFBWLJ-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209534;MM209534;NCC(N)C#CC1CN1;PFXVTKGSIZBKOW-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209535;MM209535;NC(C#CC1CN1)CO;XWUPOGCGSAVWLE-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209536;MM209536;C=Cc1cn[nH]c1N;JXRCDGSXQWVTRX-UHFFFAOYSA-N;109.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209537;MM209537;NCC(O)C#CC1CN1;FQOAFWPUWMNFCS-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209538;MM209538;CC(C)(O)C=NN1CC1;OBQJEONWZMHCJK-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209539;MM209539;CNC(C)C#CC1CN1;LYVZLUUYIMTAJL-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209540;MM209540;COC(C)C#CC1CN1;GYSYFWLXIBVRKF-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209541;MM209541;CCC(C)C#CC1CO1;ONQGWGPBTYMQMR-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209542;MM209542;CC(C#CC1CO1)CN;HEIFGYDXDMZNGV-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209543;MM209543;CC(C#CC1CO1)CO;DHEIMSREZITPIG-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209544;MM209544;CC(C#CC1CO1)CF;QKSGYVQZQAMKOH-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209545;MM209545;CCC(N)C#CC1CO1;SMNZCIGPVARSMR-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209546;MM209546;NCC(N)C#CC1CO1;POUJCXDBNPBUQM-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209547;MM209547;NC(C#CC1CO1)CO;FHEICQXCUXNORT-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209548;MM209548;CCC(O)C#CC1CO1;HQCYESBTDOQVKU-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209549;MM209549;NCC(O)C#CC1CO1;GSDILQLOTKFRMP-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209550;MM209550;CNC(C)C#CC1CO1;UHXGPGMWLKVLCL-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209551;MM209551;COC(C)C#CC1CO1;DWPGTUGITGPGEH-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209552;MM209552;C=CC(C)C#CC1CC1;VTJVVNMSEKALQW-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209553;MM209553;CC(C#CC1CC1)C=O;GPDLCIFQCSELJK-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209554;MM209554;CC(C#N)C#CC1CC1;JGJRJOQUXAACOP-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209555;MM209555;C=CC(N)C#CC1CC1;JQRQEPHDBUXIHL-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209556;MM209556;C=CC(O)C#CC1CC1;SSQMQZDGXBXBCD-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209557;MM209557;O=CC(O)C#CC1CC1;BUAHABGVKFJGFA-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209558;MM209558;N#CC(O)C#CC1CC1;DJCXBSXRBWXZID-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209559;MM209559;C=CC(F)C#CC1CC1;LQXOLYKHKZXHPJ-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209560;MM209560;N#CC(F)C#CC1CC1;OWVOKBLQHXJOIN-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209561;MM209561;C=CC(C)C#CC1CN1;ZCWGXEZDAVOFSW-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209562;MM209562;CC1N=CN(O)C1(C)C;UHSWCMNTIDBNMD-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209563;MM209563;CC1(C)C(=N)N=CN1O;SKBKDSYOYQVRGM-UHFFFAOYSA-N;127.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209564;MM209564;C=CC(N)C#CC1CN1;SLULNGKJHNEXLF-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209565;MM209565;CC(CO)=NN=CNO;YUGBVHNMIMIMPP-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209566;MM209566;COC(C=NN)C(C)O;DBEUUVGQUURZRU-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209567;MM209567;CC1=CC(=NN)OC1C;HDZNPUNKBIGWRF-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209568;MM209568;C=CC(F)C#CC1CN1;BYNZPGVLAGXCQW-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209569;MM209569;CC1=NC(=NN)CN1O;PSMIQIBHSYJGIN-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209570;MM209570;C=CC(C)C#CC1CO1;QCWWFXFXTQPKHB-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209571;MM209571;CC(C#CC1CO1)C=O;YPLPDBNUFGSOLP-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209572;MM209572;CC(C#N)C#CC1CO1;XFQJNLLMMJGRFC-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209573;MM209573;C=CC(N)C#CC1CO1;XCSFWDKVENFTHS-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209574;MM209574;C=CC(O)C#CC1CO1;ACFWLMFPPMNEEB-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209575;MM209575;O=CC(O)C#CC1CO1;MMRVDDGUHUQHCD-UHFFFAOYSA-N;126.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209576;MM209576;N#CC(O)C#CC1CO1;YNLFMMLYENNONW-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209577;MM209577;C=CC(F)C#CC1CO1;YTHABJPLZVAUDZ-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209578;MM209578;N#CC(F)C#CC1CO1;CDPXBBMDFOGWPS-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209579;MM209579;C#CC(C)C#CC1CC1;UYPZMUIAFHISCV-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209580;MM209580;C#CC(O)C#CC1CC1;PTOPAJYYAAIDJC-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209581;MM209581;C#CC(F)C#CC1CC1;VGVCJUJXNAYCGM-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209582;MM209582;C#CC(C)C#CC1CN1;OLTIFMYYFRKJQL-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209583;MM209583;C#CC1(CO)NC1CF;DYSUDBXYVXKFSV-UHFFFAOYSA-N;129.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209584;MM209584;C#CC(F)C#CC1CN1;AMJMPQNZIIYCLJ-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209585;MM209585;C#CC(C)C#CC1CO1;FORWIPXAIAELCG-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209586;MM209586;C#CC(O)C#CC1CO1;XXWUPDCFZHCZFL-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209587;MM209587;C#CC(F)C#CC1CO1;CUWWOGYGIPXQNQ-UHFFFAOYSA-N;124.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209588;MM209588;C=C(C#CC1CC1)CC;QNBOGUPWGFABOU-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209589;MM209589;C=C(C#CC1CC1)CN;SDNHQXZTNDUTMO-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209590;MM209590;C=C(C#CC1CC1)CO;DQLSPNHXFSPUKX-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209591;MM209591;C=C(C#CC1CC1)CF;GMDBXSUUCBUKNJ-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209592;MM209592;CCC(=O)C#CC1CC1;NKPPNWQXJOAOHQ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209593;MM209593;O=C(C#CC1CC1)CO;HSZKFTLLLLUBGU-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209594;MM209594;O=C(C#CC1CC1)CF;VUIICEGOEGZFGW-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209595;MM209595;CNC(=N)C#CC1CC1;PLKAFJWEEKMXME-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209596;MM209596;N=C(C#CC1CC1)NN;GYEFHRLAFRMRPO-UHFFFAOYSA-N;123.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209597;MM209597;CNC(=O)C#CC1CC1;RNBIUCQIDDRUFE-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209598;MM209598;NNC(=O)C#CC1CC1;MWOVAXVNAOWVOY-UHFFFAOYSA-N;124.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209599;MM209599;C=C(C#CC1CC1)OC;SMOSYJUYIRANRS-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209600;MM209600;COC(=O)C#CC1CC1;JXHTVVYMKULOIV-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209601;MM209601;C=C(C#CC1CN1)CC;DBFUCPANTPYJLT-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209602;MM209602;C=C(C#CC1CN1)CN;AQGQFPDNMHDSHK-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209603;MM209603;OCC1CC(NO)=NO1;LEGMQWMEJRIAKV-UHFFFAOYSA-N;132.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209604;MM209604;C=C(C#CC1CN1)CF;RCHPMMPNEUGSTN-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209605;MM209605;CCC(=O)C#CC1CN1;FWDHCQXMXRGTGH-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209606;MM209606;C=Nn1cc(CO)cn1;XTLNRBJYBFTCCK-UHFFFAOYSA-N;125.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209607;MM209607;CNC(=N)C#CC1CN1;VWUUINPIIHVEKQ-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209608;MM209608;N=C(C#CC1CN1)NN;VXVOQGASIXPJRH-UHFFFAOYSA-N;124.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209609;MM209609;CC(C)NN=CC(C)(C)O;WENVCBSWAXWAEK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209610;MM209610;CC(C)(C)N(O)C=NC=N;FIHUNGZVDHZAQB-UHFFFAOYSA-N;143.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209611;MM209611;O=C(C#CC1CN1)NO;TXSSVCBDAFPXCN-UHFFFAOYSA-N;126.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209612;MM209612;C=C(C#CC1CN1)OC;IZOGORNUCHPQMT-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209613;MM209613;COC(=O)C#CC1CN1;SBAGOFPHOGKVKF-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209614;MM209614;C=C(C#CC1CO1)CC;GRWKXUMAZPASBM-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209615;MM209615;C=C(C#CC1CO1)CN;FHBMCYHYCDSUQY-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209616;MM209616;C=C(C#CC1CO1)CO;ISFQQFOZVLXRCH-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209617;MM209617;C=C(C#CC1CO1)CF;WXQDVQIDZZCIID-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209618;MM209618;CCC(=O)C#CC1CO1;GPYSGGWWQDRLAP-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209619;MM209619;CNC(=N)C#CC1CO1;ZSRZYIXCLAYPJX-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209620;MM209620;N=C(C#CC1CO1)NN;ZSLTXFZDTWOIKH-UHFFFAOYSA-N;125.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209621;MM209621;CNC(=O)C#CC1CO1;XCAMPVZNBCFTHI-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209622;MM209622;NNC(=O)C#CC1CO1;GDDXWYQQCVSGNQ-UHFFFAOYSA-N;126.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209623;MM209623;O=C(C#CC1CO1)NO;NDXQVRCVYGNTFL-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209624;MM209624;C=C(C#CC1CO1)OC;XQDMTOQXLNFMLU-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209625;MM209625;COC(=O)C#CC1CO1;LSGLABJDQRYYSD-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209626;MM209626;C=CC(=C)C#CC1CC1;YPCUPDXMBHXIKS-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209627;MM209627;C=C(C#CC1CC1)C=O;SOSSOVLOGKZZMT-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209628;MM209628;C=C(C#N)C#CC1CC1;LJWRHZCMEJRNKH-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209629;MM209629;C=CC(=O)C#CC1CC1;GXXRONZUHYHGFH-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209630;MM209630;O=CC(=O)C#CC1CC1;FKNMUOYCTCEJRV-UHFFFAOYSA-N;122.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209631;MM209631;N#CC(=O)C#CC1CC1;FDNJWNVOPISLGC-UHFFFAOYSA-N;119.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209632;MM209632;C=CC(=C)C#CC1CN1;ZACBAWAOBVARDV-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209633;MM209633;C=C(C#CC1CN1)C=O;NEXHPPYIVFHERY-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209634;MM209634;C=C(C#N)C#CC1CN1;VXLXYNAURNXEQU-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209635;MM209635;C=CC(=O)C#CC1CN1;GIZLRZOCIRTILF-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209636;MM209636;O=CC(=O)C#CC1CN1;HJCNNWHRKVSNDJ-UHFFFAOYSA-N;123.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209637;MM209637;N#CC(=O)C#CC1CN1;BJNSUGAZWIAHKC-UHFFFAOYSA-N;120.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209638;MM209638;C=CC(=C)C#CC1CO1;FOVOLLLDGZLUCZ-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209639;MM209639;C=C(C#CC1CO1)C=O;OHUNJCCGRYQEEL-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209640;MM209640;C=C(C#N)C#CC1CO1;OPNATDUFAVAYFF-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209641;MM209641;C=CC(=O)C#CC1CO1;VPPUFQBECUZGAM-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209642;MM209642;O=CC(=O)C#CC1CO1;LLEVOSJTOZYGMH-UHFFFAOYSA-N;124.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209643;MM209643;N#CC(=O)C#CC1CO1;YWFIUMUTTRPKMQ-UHFFFAOYSA-N;121.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209644;MM209644;C#CC(=C)C#CC1CC1;WFHQELNTPDNAMQ-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209645;MM209645;C#CC(=O)C#CC1CC1;LPSAXSOJJSFYFN-UHFFFAOYSA-N;118.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209646;MM209646;C#CC(=C)C#CC1CN1;JTXNBIFWPXRBCR-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209647;MM209647;C=CCNN=CC(C)(C)O;WGQJKWGMUMMWEY-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209648;MM209648;C#CC(=C)C#CC1CO1;HYYRYXQRJBHXHM-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209649;MM209649;C#CC(=O)C#CC1CO1;YFPCUJOOSOXPNQ-UHFFFAOYSA-N;120.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209650;MM209650;CC=C(C)C#CC1CC1;NJDSFTOTKYMLEV-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209651;MM209651;CC(C#CC1CC1)=CF;RCMAHPZLHNYHIA-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209652;MM209652;CC=C(F)C#CC1CC1;AICYRNHTNTVSPJ-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209653;MM209653;FC=C(F)C#CC1CC1;FWIDLAXOUHIFGH-UHFFFAOYSA-N;128.12;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209654;MM209654;CC(C#CC1CC1)=NN;IIYIQLGAGYUVGF-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209655;MM209655;CC(C#CC1CC1)=NO;AHIOIEFARVBFKF-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209656;MM209656;CC=C(C)C#CC1CN1;DWIMZEOQOMAARV-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209657;MM209657;CC(C#CC1CN1)=CF;YAZFNRDIVNVSCH-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209658;MM209658;CC=C(F)C#CC1CN1;YTJARGBUTGBBQK-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209659;MM209659;FC=C(F)C#CC1CN1;AOARFRYLZIKXIP-UHFFFAOYSA-N;129.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209660;MM209660;CC(C#CC1CN1)=NN;KCZPHWHCHUPAPV-UHFFFAOYSA-N;123.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209661;MM209661;CC(C)(O)C=NNCC=O;KCXDKKNTGJOXQL-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209662;MM209662;CC=C(C)C#CC1CO1;MRVKNLHLMPYEQE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209663;MM209663;CC(C#CC1CO1)=CF;HEHMXGZFCDRZJH-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209664;MM209664;CC=C(F)C#CC1CO1;ZHABUHNEGZJDQA-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209665;MM209665;CC(C#CC1CO1)=NO;PCZZCYRTRVPYBP-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209666;MM209666;CCC(C)=CCC1CC1;OVGREQMWAJBKMP-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209667;MM209667;CC(=CCC1CC1)CN;LEPCYBFTCUCBOX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209668;MM209668;CC(=CCC1CC1)CO;XHYIWUOYWLGKLP-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209669;MM209669;CC(=CCC1CC1)CF;QKJFIIOAWPPZJP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209670;MM209670;CCC(F)=CCC1CC1;VFIVAKHKPVBOOG-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209671;MM209671;COC(C)=CCC1CC1;WBSWMLYCWVWWPH-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209672;MM209672;CCC(C)=NNC1CC1;COLVYSORCJRGMS-UHFFFAOYSA-N;126.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209673;MM209673;C=CC(C)(F)C(CO)=NN;BCNSENFHCVJIEE-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209674;MM209674;CC(CF)=NNC1CC1;NZIGAZWMXHYOPY-UHFFFAOYSA-N;130.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209675;MM209675;CCC(C)=COC1CC1;FUONHCQRPGNODA-UHFFFAOYSA-N;126.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209676;MM209676;CC(=COC1CC1)CN;LSGLDNYQUFBWBW-UHFFFAOYSA-N;127.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209677;MM209677;CC(=COC1CC1)CO;LSLZQEGWSFCDQB-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209678;MM209678;CC(=COC1CC1)CF;DWHNPWWYYPNFJE-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209679;MM209679;COC(C)=COC1CC1;ULXSHGJYLXBPFS-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209680;MM209680;CCC(C)=NOC1CC1;WWSXQTFLHIMCBM-UHFFFAOYSA-N;127.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209681;MM209681;CC(CN)=NOC1CC1;KEFBCMLNEBZMCO-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209682;MM209682;C=C(F)C(=O)N(N)C(N)=O;RXTGLPBQXXZNJP-UHFFFAOYSA-N;147.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209683;MM209683;CC(CF)=NOC1CC1;ONVPXVLXCZGUAN-UHFFFAOYSA-N;131.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209684;MM209684;CC(=NO)NOC1CC1;CQPRJVAFUTXQSV-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209685;MM209685;CC(=CCC1CN1)CN;YWEVZNULKGUFJG-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209686;MM209686;CC(=NN)NCC1CN1;WVFGYKUYKWKKRD-UHFFFAOYSA-N;128.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209687;MM209687;CCC(C)=CCC1CO1;RFKCIMIBOOTXQX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209688;MM209688;CC(=CCC1CO1)CN;DPBFBSXISPYVSH-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209689;MM209689;CC(=CCC1CO1)CO;BHXDNXOPABQCFU-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209690;MM209690;CC(=CCC1CO1)CF;GHPYNQXIYLVLTG-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209691;MM209691;OCC(F)=CCC1CO1;FOOITQFICSYAPT-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209692;MM209692;COC(C)=CCC1CO1;ONRBSSNFKSKQHX-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209693;MM209693;CCC(C)=CCN1CC1;FGLCXLBABOMZQZ-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209694;MM209694;CC(=CCN1CC1)CN;USPOOFOZKMITTP-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209695;MM209695;NC(=O)N(N)CC=C(F)F;WEAAIHUQFPNMSW-UHFFFAOYSA-N;151.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209696;MM209696;CC(=CCN1CC1)CF;AAVXWCYWDHEZHU-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209697;MM209697;CCC(F)=CCN1CC1;JYTPSMIHUHPLES-UHFFFAOYSA-N;129.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209698;MM209698;FCC(F)=CCN1CC1;SMFSCFCIWMMVTH-UHFFFAOYSA-N;133.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209699;MM209699;C=CC(C)=CCC1CC1;FHTUBDHKSHTWNF-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209700;MM209700;CC(C=O)=CCC1CC1;HANAAFIPUBQGBE-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209701;MM209701;CC(C#N)=CCC1CC1;XUEORRNKHHRGHL-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209702;MM209702;C=CC(F)=CCC1CC1;UDZAUIFKNHEMQD-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209703;MM209703;O=CC(F)=CCC1CC1;KWMPBKQCFGQPAY-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209704;MM209704;N#CC(F)=CCC1CC1;ZKJGGGZNBXASIP-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209705;MM209705;CC(C=O)=CNC1CC1;UEKIYRANOKQCEN-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209706;MM209706;CC(C#N)=CNC1CC1;CRWPFBAPCPLYSH-UHFFFAOYSA-N;122.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209707;MM209707;CC1CC1(O)CN(N)C=O;SUNJPPBTSUBAAQ-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209708;MM209708;C=CC(C)=NNC1CC1;DEBSIFWJHUISIE-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209709;MM209709;C=NN(C)CC1(O)CC1C;UFPXNDXQMRREJT-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209710;MM209710;C=C(CO)OC=NN(C)C;FNMFBXUYEHUNDK-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209711;MM209711;C=CC(C)=COC1CC1;SEIGHRYULHNDJU-UHFFFAOYSA-N;124.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209712;MM209712;CC(C=O)=COC1CC1;ASKZUAKMXPHMEY-UHFFFAOYSA-N;126.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209713;MM209713;CC(C#N)=COC1CC1;RXHVIWULDTVJKT-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209714;MM209714;C=CC(F)=COC1CC1;KINXPOPILMRADR-UHFFFAOYSA-N;128.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209715;MM209715;C=CC(C)=NOC1CC1;FIQRAQYWSLVLHK-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209716;MM209716;CC(C=O)=NOC1CC1;FBALRMPQXGJJKA-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209717;MM209717;CC(C#N)=NOC1CC1;OKAJRBIGDGCDIB-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209718;MM209718;C=CC(C)=CCC1CO1;ACJBPAHWFXXDCW-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209719;MM209719;CC(C=O)=CCC1CO1;UTFKLWISTMEPKY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209720;MM209720;CC(C#N)=CCC1CO1;YAQDUVIPXWADFX-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209721;MM209721;C=CC(F)=CCC1CO1;LWPRXHUDSOKVKR-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209722;MM209722;O=CC(F)=CCC1CO1;FFCCNHVUIUQOQW-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209723;MM209723;C=CC(C)=CCN1CC1;JJCRLXZUPKOELA-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209724;MM209724;CC(C=O)=CCN1CC1;FWMUZSMSWHJINM-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209725;MM209725;CC(C#N)=CCN1CC1;UXXZIWPVKLIRRG-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209726;MM209726;C=CC(F)=CCN1CC1;RVDQAWIIVSWKRF-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209727;MM209727;C#CC(C)=CCC1CC1;GYULSYDCLJKDJN-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209728;MM209728;C#CC(F)=CCC1CC1;SBFYWITVSIWUCO-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209729;MM209729;C#CC(C)=NNC1CC1;QBRUVVWDQHMWLB-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209730;MM209730;C#CC(C)=COC1CC1;RAFPKUXKCJYISH-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209731;MM209731;C#CC(C)=NOC1CC1;IVWKPONTWONOGU-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209732;MM209732;C#CC(C)=CCC1CO1;XDJXINQBQKKDFA-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209733;MM209733;C#CC(C)=CCN1CC1;ZDSASYNXGBDDLZ-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209734;MM209734;C#CC(F)=CCN1CC1;GWRSKVRMYBGHTA-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209735;MM209735;CCC12CCC(C1)C2N;IRRVCXVUPPRUAV-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209736;MM209736;CCC12CCC(O1)C2C;OHJWOPLRACGRNZ-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209737;MM209737;CCC12CCC(C1)N2C;WSDQRHIFOUOYHR-UHFFFAOYSA-N;125.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209738;MM209738;CCC12CCN(C1)C2C;NTLBZBFPIGJNGX-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209739;MM209739;C=CC12CCC(C1)C2N;FVZNDNAGYODVTF-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209740;MM209740;C=CC12CCC(O1)C2C;JRDUBIZEZASDNE-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209741;MM209741;C=CC12CCN(C1)C2C;FKXYFVOSUZJPQK-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209742;MM209742;CC1N2CCC1(C#N)C2;RBPZZXZBGDSIJR-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209743;MM209743;C#CC12CCN(C1)C2C;CHHZAYKTVNYRDL-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209744;MM209744;N#CC12CCC(C1)C2=O;ROJNKXGCUHWHEP-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209745;MM209745;C#CC12CCC(C1)C2=O;HLHPNVZPARTEOA-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209746;MM209746;C#CC12COC(C1)C2=O;ZEDLAQOWKKWZFG-UHFFFAOYSA-N;122.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209747;MM209747;CC1C2C=CC1(C=O)C2;BDQCIJRCELLVHF-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209748;MM209748;N#CC12C=CC(C1)C2=O;IZQNAYFCOSAMGG-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209749;MM209749;C=C(CO)OC(C)=NNC;RXYHYTMOHHTLHG-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209750;MM209750;C#CC12C=CC(C1)C2=O;IDKBTGTZENCRKL-UHFFFAOYSA-N;118.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209751;MM209751;CCC12CCC(C)C1C2;POEITENENPHMHW-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209752;MM209752;CC1CCC2(CN)CC12;WTBQEFSEKJRIID-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209753;MM209753;CON=C(CC(N)=O)NN;FATLICNITJXSMX-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209754;MM209754;CC1CCC2(CF)CC12;XCBWLWVYNAMHDL-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209755;MM209755;CCC12CCC(N)C1C2;KTYAXXFHZGUTCZ-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209756;MM209756;NCC12CCC(N)C1C2;CTKRNDBMRYIUJB-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209757;MM209757;NC1CCC2(CO)CC12;DKIDOZNBDLMVGW-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209758;MM209758;NC1CCC2(CF)CC12;LRSKKBUEBFBMRR-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209759;MM209759;CON=C(CO)CC(C)O;KAFYUGWWQKBNOI-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209760;MM209760;NCC12CCC(O)C1C2;QPFBXUFJONMQOX-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209761;MM209761;OCC12CCC(O)C1C2;KEGQMKGLNGAABY-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209762;MM209762;OC1CCC2(CF)CC12;JWSKNNSVSDMBMF-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209763;MM209763;CCC12CCC(F)C1C2;OCDPRXLAUHFSSO-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209764;MM209764;NCC12CCC(F)C1C2;SLFLPQCEQPYSCD-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209765;MM209765;OCC12CCC(F)C1C2;SRILVYJAUHPZAB-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209766;MM209766;FCC12CCC(F)C1C2;GSNMOJAOXKFUSU-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209767;MM209767;CNC12CCC(C)C1C2;NIUFKJJHVJFWEB-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209768;MM209768;CNC12CCC(N)C1C2;VJEDKIOCRBNXLX-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209769;MM209769;CNC12CCC(O)C1C2;MKPSRKQWZVZZHS-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209770;MM209770;CNC12CCC(F)C1C2;NBCCCOSEONXTFA-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209771;MM209771;COC12CCC(C)C1C2;KNBKCKDHGCMVKB-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209772;MM209772;COC12CCC(N)C1C2;UZLSQTQYKDLJST-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209773;MM209773;COC12CCC(O)C1C2;FCSCZWNNXPJTCU-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209774;MM209774;COC12CCC(F)C1C2;BBAOWMLOCBGAHO-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209775;MM209775;CCC12CNC(C)C1C2;HZIIHUDYLDPMSR-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209776;MM209776;CC1NCC2(CN)CC12;YPVDBPNYOWYRQR-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209777;MM209777;CC1NCC2(CO)CC12;NWGDFAAFXXLRFG-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209778;MM209778;CC1NCC2(CF)CC12;MSJYVAFMJBRUFQ-UHFFFAOYSA-N;129.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209779;MM209779;CNC12CNC(C)C1C2;YYGJBECMNFHLKH-UHFFFAOYSA-N;126.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209780;MM209780;COC12CNC(C)C1C2;KHQQFSKIXYNQPG-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209781;MM209781;CCC12COC(C)C1C2;XXFNMXWOVHLTNC-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209782;MM209782;CC1OCC2(CN)CC12;QFWPAMJMQPSFPO-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209783;MM209783;CC1OCC2(CO)CC12;IIECFNCBBYNXCR-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209784;MM209784;CNC12COC(C)C1C2;BTICMJLYJILZPG-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209785;MM209785;COC12COC(C)C1C2;OWFRGHJVCWCCFV-UHFFFAOYSA-N;128.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209786;MM209786;CCC12CC1C(C)CN2;PVYVBGWTOHMWEA-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209787;MM209787;CC1CNC2(CN)CC12;XKQNRYOGXQKRPE-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209788;MM209788;CC1CNC2(CO)CC12;QFXJWUKZKJWRQY-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209789;MM209789;CCC12CC1C(N)CN2;ZAHMZXBDKLFXMU-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209790;MM209790;NCC12CC1C(N)CN2;BIHOWOSJNUDYGB-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209791;MM209791;NC1CNC2(CO)CC12;PELFLDTXQOOFMM-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209792;MM209792;NC1CNC2(CF)CC12;BHVOYHUPTDLGQP-UHFFFAOYSA-N;130.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209793;MM209793;CCC12CC1C(O)CN2;DLOSRAUNJUDADQ-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209794;MM209794;NCC12CC1C(O)CN2;ZLCNXTFXEMLRFK-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209795;MM209795;OCC12CC1C(O)CN2;YGDWAGMWVCPJRP-UHFFFAOYSA-N;129.16;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209796;MM209796;OC1CNC2(CF)CC12;KSYKYXFQCFXYTJ-UHFFFAOYSA-N;131.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209797;MM209797;CCC12CC1C(F)CN2;OTWBRLLZLWQNCF-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209798;MM209798;NCC12CC1C(F)CN2;SLOAMZWXQSSNFX-UHFFFAOYSA-N;130.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209799;MM209799;OCC12CC1C(F)CN2;SCKZMKTYSOCUEM-UHFFFAOYSA-N;131.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209800;MM209800;CCC12CC1C(C)CO2;VCYAYASIVCMAOS-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209801;MM209801;CC1COC2(CN)CC12;HSKKGSFPGVUGJZ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209802;MM209802;CC1COC2(CO)CC12;NZIHBWWIPWKEPI-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209803;MM209803;CCC12CC1C(N)CO2;VDLVZMQDUWQNSD-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209804;MM209804;NCC12CC1C(N)CO2;ZOOGYZIOOODESK-UHFFFAOYSA-N;128.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209805;MM209805;NC1COC2(CO)CC12;LFJILVUFZFEGEL-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209806;MM209806;CCC12CC1C(O)CO2;HTWNNANGHIUDAQ-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209807;MM209807;NCC12CC1C(O)CO2;LMJSMZFNHWXODI-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209808;MM209808;OCC12CC1C(O)CO2;QBLAVVDSHLDKPS-UHFFFAOYSA-N;130.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209809;MM209809;CCC12CC1C(F)CO2;FAIBSHAHGXUTEO-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209810;MM209810;NCC12CC1C(F)CO2;AISVDRYAEJNQMK-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209811;MM209811;OCC12CC1C(F)CO2;UWSPZRBLMIHGFK-UHFFFAOYSA-N;132.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209812;MM209812;FCC12CC1C(F)CO2;UIOAGOVGNYCVLT-UHFFFAOYSA-N;134.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209813;MM209813;COC12CC1C(N)CO2;ODESOJGXTZFDRB-UHFFFAOYSA-N;129.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209814;MM209814;COC12CC1C(O)CO2;JKPYIJBGICRCIO-UHFFFAOYSA-N;130.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209815;MM209815;COC12CC1C(F)CO2;VIUIFLOJSZVJTG-UHFFFAOYSA-N;132.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209816;MM209816;CCC12CCN(C)C1C2;VSCAIRHEHVENEH-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209817;MM209817;CN1CCC2(CN)CC12;PMFSVQDMBNJCGC-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209818;MM209818;CN1CCC2(CO)CC12;LRXYEIMGVFBBNW-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209819;MM209819;CN1CCC2(CF)CC12;WGOVFHSQUZIYIS-UHFFFAOYSA-N;129.18;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209820;MM209820;CCC12CCC(N)C1N2;RZHZBBJMZLWSHD-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209821;MM209821;NCC12CCC(O)C1N2;OXMUGZWMDAQBNC-UHFFFAOYSA-N;128.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209822;MM209822;CCC(=NC(N)=O)N(C)C;QVQFVQRUQJPRJM-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209823;MM209823;CC1CN1N=CC(C)(C)O;JDLGZEDXJFEVBE-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209824;MM209824;CCC12CCC(F)C1N2;JJZCUMAPNKOOHE-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209825;MM209825;NCC12CCC(F)C1N2;GCNNAJFIVYMEMD-UHFFFAOYSA-N;130.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209826;MM209826;CC1(C)N=CN(O)C1(C)C;TXYLBMBYGKASIC-UHFFFAOYSA-N;142.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209827;MM209827;CCC12CNC(C)C1N2;DKJWYOVHLKLGIE-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209828;MM209828;CC1NCC2(CN)NC12;OTVHWWRLZIADHM-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209829;MM209829;CC1NCC2(CO)NC12;JLZJIAWXEBDSKG-UHFFFAOYSA-N;128.18;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209830;MM209830;CC1NCC2(CF)NC12;FRSULJYKLQPEJT-UHFFFAOYSA-N;130.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209831;MM209831;CCC12COC(C)C1N2;MKKQWJMEUBDPMK-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209832;MM209832;NN=COCC#CC(N)=O;CQISEJBPUMPLDN-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209833;MM209833;CC1OCC2(CF)NC12;LYOREZMUKZDAMB-UHFFFAOYSA-N;131.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209834;MM209834;CCC12CCC(C)C1O2;LZKZUVGKJGQRKU-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209835;MM209835;CC1CCC2(CN)OC12;PPTCYEZAIBKSRV-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209836;MM209836;CC1CCC2(CO)OC12;FEYDRUDQNPWWDB-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209837;MM209837;CCC12CCC(N)C1O2;ACQZMGAQHNVZBC-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209838;MM209838;NCC12CCC(N)C1O2;BTLPDBMPMJCSQZ-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209839;MM209839;NC1CCC2(CO)OC12;XGPCLDQFTVODBG-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209840;MM209840;NC1CCC2(CF)OC12;ZJHDVISXLFBXGK-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209841;MM209841;CCC12CCC(O)C1O2;IOZRHJQDUDTMKY-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209842;MM209842;NCC12CCC(O)C1O2;DRZFZJUULSQUPX-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209843;MM209843;OC1CCC2(CF)OC12;QLKWMMZUXGOQGQ-UHFFFAOYSA-N;132.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209844;MM209844;CCC12CCC(F)C1O2;BKAWWCKVGVYJLQ-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209845;MM209845;NCC12CCC(F)C1O2;BNUWZQYTUUAXBH-UHFFFAOYSA-N;131.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209846;MM209846;CCC12CNC(C)C1O2;DUFFNQUCBIZDTG-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209847;MM209847;CCC12COC(C)C1O2;ZJTXHCPDYXJKJF-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209848;MM209848;CC1OCC2(CF)OC12;IIXHCNMQLAGTOO-UHFFFAOYSA-N;132.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209849;MM209849;CCC12CCC(C)N1C2;RYWYXTXKFIURQS-UHFFFAOYSA-N;125.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209850;MM209850;CC1CCC2(CN)CN12;BYFBUMMHMUZHGP-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209851;MM209851;N#CCNCC(O)C=CF;GOPQFQWKTUKAMK-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209852;MM209852;C=CC12CCC(C)C1C2;UQULYMAFYPUCNH-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209853;MM209853;CC1CCC2(C=O)CC12;FQGSUIZUEDGXFV-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209854;MM209854;C=CC12CCC(N)C1C2;GNAKYVGOGGEVDQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209855;MM209855;C=C(F)C(F)C(CO)=NN;PROHDPVCHVNAPN-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209856;MM209856;O=CC12CCC(O)C1C2;VNCLYYIETBNCHG-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209857;MM209857;C=CC12CCC(F)C1C2;MCPVFRTXTUYWOC-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209858;MM209858;O=CC12CCC(F)C1C2;ZLWHYBMGWXZDPO-UHFFFAOYSA-N;128.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209859;MM209859;N#CC12CCC(F)C1C2;KIXARNHYPSWAEQ-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209860;MM209860;C=CC12CNC(C)C1C2;QHAZBNADFLDFHN-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209861;MM209861;CC1NCC2(C=O)CC12;QYTXRCJCMQPSPM-UHFFFAOYSA-N;125.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209862;MM209862;C=CC12COC(C)C1C2;YPHRWGVOZUXFPW-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209863;MM209863;CC1OCC2(C=O)CC12;CAIKCACXQGKJOL-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209864;MM209864;CC1OCC2(C#N)CC12;WEGUODLGGROSOX-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209865;MM209865;C=CC12CC1C(C)CN2;GQWHCQASCARCES-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209866;MM209866;CC1CNC2(C=O)CC12;PYXQALXLWTUADO-UHFFFAOYSA-N;125.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209867;MM209867;C=CC12CC1C(N)CN2;DIBYIDPJGDPVBP-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209868;MM209868;C=CC12CC1C(O)CN2;UKDBLAVMCRQAQF-UHFFFAOYSA-N;125.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209869;MM209869;C#CC(C)(CO)N(N)C=O;FURIQEYUKKXDBG-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209870;MM209870;C=CC12CC1C(F)CN2;PKMZIYDKOYONFF-UHFFFAOYSA-N;127.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209871;MM209871;N#CC12CC1C(F)CN2;ZWAICZALXJXVQF-UHFFFAOYSA-N;126.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209872;MM209872;C=CC12CC1C(C)CO2;UZCROSJODJGJGV-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209873;MM209873;CC1COC2(C=O)CC12;YJOMKHYQGZTQAF-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209874;MM209874;CC1COC2(C#N)CC12;VIRHVMZVPFMMFM-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209875;MM209875;C=CC12CC1C(N)CO2;FKSJUOQGWPKKDB-UHFFFAOYSA-N;125.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209876;MM209876;C=CC12CC1C(O)CO2;OHPJCTMNOFCIHI-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209877;MM209877;O=CC12CC1C(O)CO2;ZNEXRBXBDYYLJJ-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209878;MM209878;N#CC12CC1C(O)CO2;XSULDVOFIHTNGC-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209879;MM209879;C=CC12CC1C(F)CO2;IVHAHJKDZVKAQN-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209880;MM209880;N#CC12CC1C(F)CO2;AUBRGLOPWCFYCQ-UHFFFAOYSA-N;127.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209881;MM209881;C=CC12CCN(C)C1C2;OKEWTDNQMJYGJC-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209882;MM209882;CN1CCC2(C=O)CC12;QNCZKIRCJXNCLP-UHFFFAOYSA-N;125.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209883;MM209883;C=CC12CCC(N)C1N2;IWJPWBBASPYOSA-UHFFFAOYSA-N;124.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209884;MM209884;C#CC(C)(CO)N(C)N=C;VVGYVMLKOWFQRD-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209885;MM209885;NN=CC(CO)(CO)CO;QORHXCHISGVYJE-UHFFFAOYSA-N;148.16;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209886;MM209886;C=CC12CNC(C)C1N2;CPNSBENTUNUSQK-UHFFFAOYSA-N;124.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209887;MM209887;CC1NCC2(C=O)NC12;MMSIEVLCBPCVIP-UHFFFAOYSA-N;126.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209888;MM209888;C=CC12COC(C)C1N2;LSWLPFPUYQSCAQ-UHFFFAOYSA-N;125.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209889;MM209889;CC1OCC2(C=O)NC12;WOZWQADAWZRQEV-UHFFFAOYSA-N;127.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209890;MM209890;CC1CCC2(C=O)OC12;ZHVORPJABJFXKB-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209891;MM209891;O=CC12CCC(O)C1O2;ZJHLRPDLKKKUCW-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209892;MM209892;C=CC12CCC(F)C1O2;GJTREJRPDPTIAU-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209893;MM209893;O=CC12CCC(F)C1O2;KFSZCZFTVUUFMJ-UHFFFAOYSA-N;130.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209894;MM209894;CC1NCC2(C=O)OC12;VEQYXXKSEBWBMF-UHFFFAOYSA-N;127.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209895;MM209895;CC1OCC2(C=O)OC12;PDCWNWRGEWKPFK-UHFFFAOYSA-N;128.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209896;MM209896;CC1CCC2(C=O)CN12;JEUCEOKLNYFXSZ-UHFFFAOYSA-N;125.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209897;MM209897;C#CC12CCC(F)C1C2;GHGBQRGOSSGNMK-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209898;MM209898;C#CC12CNC(C)C1C2;RQVCJGFQMURJFN-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209899;MM209899;C#CC12COC(C)C1C2;MVHRKNZXIBIZGA-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209900;MM209900;C#CC12CC1C(C)CN2;JXLXUVQOEQNUEH-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209901;MM209901;C#CC12CC1C(N)CN2;UDSHMOOYGYGICJ-UHFFFAOYSA-N;122.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209902;MM209902;C#CC12CC1C(O)CN2;VXJWLXRCLVOETG-UHFFFAOYSA-N;123.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209903;MM209903;C#CC12CC1C(C)CO2;UDPDMWQXYAGOFU-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209904;MM209904;C#CC12CC1C(N)CO2;ANOXPFSTAFXIMT-UHFFFAOYSA-N;123.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209905;MM209905;C#CC12CC1C(O)CO2;ROYREZCLLCIQNL-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209906;MM209906;C#CC12CC1C(F)CO2;WUNUWBVEHRABGG-UHFFFAOYSA-N;126.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209907;MM209907;C#CC12CCN(C)C1C2;XDRRWYTYRUZXJA-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209908;MM209908;C=C1CCC2(CC)CC12;QWAIAQLQEBPUNR-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209909;MM209909;C=C1CCC2(CN)CC12;WFLXSWZNICRTPQ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209910;MM209910;C=C(CO)OC(CF)=NN;LVKSRGQCRCAQNG-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209911;MM209911;CCC12CCC(=O)C1C2;CIUXXVMGTZRQSI-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209912;MM209912;O=C1CCC2(CO)CC12;NCUHFPCPDXNFQM-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209913;MM209913;O=C1CCC2(CF)CC12;MHJWDHAOBITEKC-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209914;MM209914;C=C1CCC2(NC)CC12;NNWHCNNEGNZTCC-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209915;MM209915;CNC12CCC(=O)C1C2;JVPQRSYHGBZBCM-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209916;MM209916;C=C1CCC2(OC)CC12;ZAJCUBLUTGBMNK-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209917;MM209917;COC12CCC(=O)C1C2;DAXORHJQCWKHSJ-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209918;MM209918;CCC12CNC(=N)C1C2;BGHZORJETBSRHX-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209919;MM209919;N=C1NCC2(CN)CC12;QHJXTTPRMMGZAE-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209920;MM209920;N=C1NCC2(CO)CC12;ITKRXHPLMWICTL-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209921;MM209921;CCC12CNC(=O)C1C2;CKYAAYJGOVJXQR-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209922;MM209922;NCC12CNC(=O)C1C2;BTIOWMGMANMSGC-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209923;MM209923;O=C1NCC2(CO)CC12;FCVAOAQHYBRDKE-UHFFFAOYSA-N;127.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209924;MM209924;O=C1NCC2(CF)CC12;QMOUYKYKPWNCRG-UHFFFAOYSA-N;129.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209925;MM209925;CNC12CNC(=N)C1C2;WNRNDEBYKRGXMA-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209926;MM209926;CNC12CNC(=O)C1C2;HMSZLACNIQPSPB-UHFFFAOYSA-N;126.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209927;MM209927;COC12CNC(=N)C1C2;ICXJURKKRZSZPI-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209928;MM209928;COC12CNC(=O)C1C2;XHKYYCMZKHTWHP-UHFFFAOYSA-N;127.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209929;MM209929;C=C1OCC2(CC)CC12;BJMJECDQNBCRSE-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209930;MM209930;C=C1OCC2(CN)CC12;MDTRJSDHJXQZDE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209931;MM209931;C=C1OCC2(CO)CC12;QCEMHKDUHBFJGT-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209932;MM209932;C=C1OCC2(CF)CC12;UVBPBYCBYQPOGG-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209933;MM209933;CCC12COC(=O)C1C2;PQWKCQDBERWAFD-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209934;MM209934;NCC12COC(=O)C1C2;WWWUPYZTBLFEHC-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209935;MM209935;O=C1OCC2(CO)CC12;FLJHKSOBSJTZNA-UHFFFAOYSA-N;128.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209936;MM209936;C=C1OCC2(NC)CC12;VPKJTPIEVREPSY-UHFFFAOYSA-N;125.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209937;MM209937;C=C1OCC2(OC)CC12;QAGNJNLQGPQOQZ-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209938;MM209938;COC12COC(=O)C1C2;OGCNOTJKKTZWGA-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209939;MM209939;C=C1CNC2(CC)CC12;DUZFRQKCQHQWOK-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209940;MM209940;C=C1CNC2(CN)CC12;WTSXOZLSDGNVFN-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209941;MM209941;C=C1CNC2(CO)CC12;NDGYFZJNLJHAIZ-UHFFFAOYSA-N;125.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209942;MM209942;C=C1CNC2(CF)CC12;ZSOLVDGGNXGVHR-UHFFFAOYSA-N;127.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209943;MM209943;C=CC(=NN)OC(=C)CO;LFNPKGOXUAMVBF-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209944;MM209944;CCC12CC1C(=N)NN2;SXVFCUCWLAAGQA-UHFFFAOYSA-N;125.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209945;MM209945;N=C1NNC2(CN)CC12;MJAHWOXLTQAXCQ-UHFFFAOYSA-N;126.16;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209946;MM209946;N=C1NNC2(CO)CC12;VGLWJBFPSFGPPU-UHFFFAOYSA-N;127.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209947;MM209947;N=C1NNC2(CF)CC12;QLXCQRXNIYCIKQ-UHFFFAOYSA-N;129.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209948;MM209948;CCC12CC1C(=O)NN2;SLYSGWBGHUDYRD-UHFFFAOYSA-N;126.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209949;MM209949;NCC12CC1C(=O)NN2;BPROTQURCOPTID-UHFFFAOYSA-N;127.15;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209950;MM209950;O=C1NNC2(CO)CC12;ANZCVXCEHBPIKH-UHFFFAOYSA-N;128.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209951;MM209951;O=C1NNC2(CF)CC12;APGULHARQGSYDH-UHFFFAOYSA-N;130.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209952;MM209952;C=C1COC2(CC)CC12;APPJSQKMGVVYTR-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209953;MM209953;C=C1COC2(CN)CC12;JSBLGYWTKXQFIH-UHFFFAOYSA-N;125.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209954;MM209954;C=C1COC2(CO)CC12;KMGIOZIBACSPRV-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209955;MM209955;C=C1COC2(CF)CC12;XANBZLBJCPECFH-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209956;MM209956;CCC12CC1C(=O)CO2;OJBMWEVERXPETP-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209957;MM209957;O=C1COC2(CO)CC12;MSBMCDLDPUKEKW-UHFFFAOYSA-N;128.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209958;MM209958;O=C1COC2(CF)CC12;WVLQHSALPJVOKI-UHFFFAOYSA-N;130.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209959;MM209959;C=C1COC2(OC)CC12;NTSJZBINHNMBJS-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209960;MM209960;COC12CC1C(=O)CO2;IEFAWESTSLCXGE-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209961;MM209961;CCC12CC1C(=N)NO2;MGNWPSLGNUIYRU-UHFFFAOYSA-N;126.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209962;MM209962;N=C1NOC2(CN)CC12;XBSSKOPTYQKTOF-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209963;MM209963;N=C1NOC2(CO)CC12;DJNZDVPAGJAAAC-UHFFFAOYSA-N;128.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209964;MM209964;N=C1NOC2(CF)CC12;KLQYGHBSLFEUOS-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209965;MM209965;Nc1n[nH]ccc(=O)c1=O;FAIOMTPGWUELLR-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209966;MM209966;C=C1CCC2(CN)NC12;HJBYYVOSNKIGHZ-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209967;MM209967;N#CC1CC(CO)(CO)N1;KUMAONBEYJSQMK-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209968;MM209968;C#CC1(CO)NC1C(C)C;INOBSEKYXAKXJV-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209969;MM209969;C#CC1(CO)NC1C(C)F;AQDPCAAXMBXVKD-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209970;MM209970;CCC12CNC(=N)C1N2;QZYVAWZZGTXFJP-UHFFFAOYSA-N;125.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209971;MM209971;N=C1NCC2(CN)NC12;VTBCSLGSYNZACC-UHFFFAOYSA-N;126.16;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209972;MM209972;N=C1NCC2(CO)NC12;KKOXHELQWBSEDA-UHFFFAOYSA-N;127.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209973;MM209973;C#CC1(CO)CN1C(C)C;WAUDGCKXGJSGSY-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209974;MM209974;C=C1OCC2(CC)NC12;WTRDCZMDMRIFMM-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209975;MM209975;C=C1OCC2(CN)NC12;LBYYKGZMNACBCL-UHFFFAOYSA-N;126.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209976;MM209976;CCC(C)(O)C1NC1CF;JQZYMXFWSDCPMB-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209977;MM209977;C=C1OCC2(CF)NC12;YSFMGQWRCZMQNE-UHFFFAOYSA-N;129.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209978;MM209978;CCC12COC(=O)C1N2;HIKWCTGGVZRWSK-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209979;MM209979;NCC12COC(=O)C1N2;GWYCIJWDXTVGHN-UHFFFAOYSA-N;128.13;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209980;MM209980;CC(C#N)(CO)CN1CC1;YTHNVNPAUFJIPT-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209981;MM209981;C=C1CCC2(CN)OC12;IKLKSKVVHBYBMO-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209982;MM209982;C=C1CCC2(CO)OC12;CKNYKTFULFDSLT-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209983;MM209983;C=C1CCC2(CF)OC12;PQLFVNTXKFMAAC-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209984;MM209984;O=C1CCC2(CO)OC12;NQIASRDBMSLKOJ-UHFFFAOYSA-N;128.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209985;MM209985;CCC12CNC(=N)C1O2;FWYVCSCSWNWDFR-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209986;MM209986;N=C1NCC2(CF)OC12;RBZIRZXJUBZWIL-UHFFFAOYSA-N;130.12;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209987;MM209987;NCC12CNC(=O)C1O2;FMELNULGQNGIFC-UHFFFAOYSA-N;128.13;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209988;MM209988;O=C1NCC2(CO)OC12;WEWUIIAKRRFBDB-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209989;MM209989;O=C1NCC2(CF)OC12;VLLXCPOFKQCDDB-UHFFFAOYSA-N;131.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209990;MM209990;C=C1OCC2(CC)OC12;UAADAKOPMMVBIQ-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209991;MM209991;CCC12COC(=O)C1O2;MKMUAWPIXHEXPT-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209992;MM209992;NCC12COC(=O)C1O2;DYHCJXFUPRMYLO-UHFFFAOYSA-N;129.12;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209993;MM209993;O=C1OCC2(CF)OC12;HUJSVOYOUSLEPB-UHFFFAOYSA-N;132.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209994;MM209994;CCC12CCC(=N)N1C2;KJXWAUAKLCKJJO-UHFFFAOYSA-N;124.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209995;MM209995;N=C1CCC2(CN)CN12;COICWXIZXGHWCR-UHFFFAOYSA-N;125.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209996;MM209996;N=C1CCC2(CO)CN12;ZJDCCWRQQPNSNU-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209997;MM209997;CCC12CCC(=O)N1C2;OCYXRGBLZXFTTR-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209998;MM209998;NCC12CCC(=O)N1C2;MGVNBDPSZZJICT-UHFFFAOYSA-N;126.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM209999;MM209999;O=C1CCC2(CO)CN12;BWAUGFMTSDZRIY-UHFFFAOYSA-N;127.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210000;MM210000;O=C1CCC2(CF)CN12;HGANYUCTOACOKA-UHFFFAOYSA-N;129.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210001;MM210001;CCC12CNC(=N)N1C2;YHCJQWSQVVTKFS-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210002;MM210002;N=C1NCC2(CN)CN12;JIAQJIBKUZCJCP-UHFFFAOYSA-N;126.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210003;MM210003;CCC12CNC(=O)N1C2;QCFJCOXHLSFDDK-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210004;MM210004;O=C1NCC2(CO)CN12;RWSWJMACALMTON-UHFFFAOYSA-N;128.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210005;MM210005;C=CC1(O)CC1CON=C;LOZQUOBHGFJLHR-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210006;MM210006;CCC12COC(=O)N1C2;ICLQCFOKDZNXKH-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210007;MM210007;C=C1CCC2(C=O)CC12;PHSOIKQMYHRMKD-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210008;MM210008;N=C1NCC2(C=O)CC12;IVYIQZAXHVBVFV-UHFFFAOYSA-N;124.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210009;MM210009;C=CC12COC(=C)C1C2;GFURLWFPPCYHKD-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210010;MM210010;C=C1OCC2(C=O)CC12;YGXBQNKMQLDEEM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210011;MM210011;C=CC12COC(=O)C1C2;WUKIIQDVPXTEFL-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210012;MM210012;O=CC12COC(=O)C1C2;OJWXSQGUDLTNDQ-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210013;MM210013;C=CC12CC1C(=C)CN2;UDNIAKSHFLHUCX-UHFFFAOYSA-N;121.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210014;MM210014;C=C1CNC2(C#N)CC12;ATDGEUHUFOFGAH-UHFFFAOYSA-N;120.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210015;MM210015;C#CC(=C)C(CO)=NOC;LVYGWZDQRRRYST-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210016;MM210016;C=NNCC(CO)=NOC;SMDFZGRAOKCHNQ-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210017;MM210017;C=CC12CC1C(=N)NN2;FWLDPVRFVGTCCB-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210018;MM210018;N=C1NNC2(C=O)CC12;ORSOQBNDIWFBTJ-UHFFFAOYSA-N;125.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210019;MM210019;N#CC12CC1C(=N)NN2;MCSRXTSBGQTQOI-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210020;MM210020;C=CC12CC1C(=O)NN2;LHJZUSXSSSWXSM-UHFFFAOYSA-N;124.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210021;MM210021;O=CC12CC1C(=O)NN2;AELWAEBTXUUOFE-UHFFFAOYSA-N;126.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210022;MM210022;N#CC12CC1C(=O)NN2;BNIUMKLZDYMREX-UHFFFAOYSA-N;123.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210023;MM210023;C=CC12CC1C(=C)CO2;DAHWKLRKUBPYFU-UHFFFAOYSA-N;122.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210024;MM210024;C=C1COC2(C=O)CC12;YSKUEDXHASRPKC-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210025;MM210025;C=C1COC2(C#N)CC12;OFZGPVUCJFBPHL-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210026;MM210026;C=CC12CC1C(=O)CO2;PDBCWSXPIRODGX-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210027;MM210027;O=CC12CC1C(=O)CO2;KQAOWOVAUPJSSM-UHFFFAOYSA-N;126.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210028;MM210028;N#CC12CC1C(=O)CO2;ZEOKMTKFOYTAEZ-UHFFFAOYSA-N;123.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210029;MM210029;C=CC12CC1C(=N)NO2;YSRBGWWUFUVYEQ-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210030;MM210030;N=C1NOC2(C=O)CC12;RKYRJMSDVHNPKW-UHFFFAOYSA-N;126.12;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210031;MM210031;N#CC12CC1C(=N)NO2;VMOKQMKEMFRFQP-UHFFFAOYSA-N;123.12;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210032;MM210032;N=c1c(O)nnnn1N;QRXUIZAFAPNRDF-UHFFFAOYSA-N;128.1;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210033;MM210033;Cn1ncc(C#N)c1O;FMGABNMJTCOZFT-UHFFFAOYSA-N;123.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210034;MM210034;C=CC12CCC(=C)C1N2;AVMXKMOZQPNJBN-UHFFFAOYSA-N;121.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210035;MM210035;C=C1CCC2(C=O)NC12;GTRYJODIUHVYMB-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210036;MM210036;COC=C(CO)N=CNO;FIFQMGRJGZBQRI-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210037;MM210037;C=CC12CNC(=N)C1N2;WDRBEQOUUAYXND-UHFFFAOYSA-N;123.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210038;MM210038;N=C1NCC2(C=O)NC12;ZZUVZGOMFGTERQ-UHFFFAOYSA-N;125.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210039;MM210039;CC(O)C(CF)OC=NN;BEPNYMPSEZHDKD-UHFFFAOYSA-N;150.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210040;MM210040;Cc1c(C)c(N)n(O)c1N;VUXWDIFITCMGRQ-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210041;MM210041;C=CC12COC(=C)C1N2;PQDBPCUMZIOPPV-UHFFFAOYSA-N;123.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210042;MM210042;O=CC12COC(=O)C1N2;TXLLNPNRRRUBQR-UHFFFAOYSA-N;127.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210043;MM210043;C=CC12CCC(=C)C1O2;LGIPPBQQGBCNNP-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210044;MM210044;C=C1CCC2(C=O)OC12;IJNPZXCQWAHWRY-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210045;MM210045;C=C1CCC2(C#N)OC12;ZKRWFZLOQVFXGB-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210046;MM210046;C=CC12CCC(=O)C1O2;XWGKXGCQQIUNJT-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210047;MM210047;O=CC12CCC(=O)C1O2;NWRLGKPXTRJXMA-UHFFFAOYSA-N;126.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210048;MM210048;N#CC12CCC(=O)C1O2;FKQSBTZJZHBNPL-UHFFFAOYSA-N;123.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210049;MM210049;C=CC12CNC(=N)C1O2;ZYKJFPWUNLDFSK-UHFFFAOYSA-N;124.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210050;MM210050;N=C1NCC2(C=O)OC12;RZCWJJHOYNYCKI-UHFFFAOYSA-N;126.12;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210051;MM210051;C=CC12COC(=C)C1O2;AJOCCPGTOSEIHI-UHFFFAOYSA-N;124.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210052;MM210052;C=C1OCC2(C=O)OC12;YTFMJGXBPLHMAO-UHFFFAOYSA-N;126.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210053;MM210053;O=CC12COC(=O)C1O2;PNKWETZRDVQWPL-UHFFFAOYSA-N;128.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210054;MM210054;C=CC12CCC(=N)N1C2;PRGLDLBSZWNVFT-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210055;MM210055;N=C1CCC2(C=O)CN12;GKYFDSLXZARGOJ-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210056;MM210056;C=CC12CCC(=O)N1C2;DZNYYXASMYHYKW-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210057;MM210057;O=CC12CCC(=O)N1C2;ZEBAIUKNWJNZJR-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210058;MM210058;N#CC12CCC(=O)N1C2;ZGUHLEJIUQDIQJ-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210059;MM210059;C=CC12CNC(=N)N1C2;FLOYTTYQKWYTHC-UHFFFAOYSA-N;123.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210060;MM210060;C=CC12COC(=N)N1C2;SPLGVCIRUGGUFX-UHFFFAOYSA-N;124.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210061;MM210061;O=CC12COC(=O)N1C2;BUAIHZVGSPSYNN-UHFFFAOYSA-N;127.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210062;MM210062;C#CC12CC1C(=C)CN2;NZSQXNCLJWRKNV-UHFFFAOYSA-N;119.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210063;MM210063;CC1C(O)CN1C(=N)C#N;LEJGDFLKPBQERR-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210064;MM210064;C#CC12CC1C(=N)NN2;AQMCMSWIXBYSCS-UHFFFAOYSA-N;121.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210065;MM210065;C#CC12CC1C(=O)NN2;OLHNTXBYZLOAKX-UHFFFAOYSA-N;122.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210066;MM210066;C#CC12CC1C(=C)CO2;IQPGPTIGNDBCGQ-UHFFFAOYSA-N;120.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210067;MM210067;C#CC12CC1C(=O)CO2;WAWANUHVSDWXSN-UHFFFAOYSA-N;122.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210068;MM210068;C#CC12CC1C(=N)NO2;YWVJRXWHYSXLOG-UHFFFAOYSA-N;122.13;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210069;MM210069;N=c1nc(O)n(N)nc1F;KNUCUZLJSVPCBB-UHFFFAOYSA-N;145.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210070;MM210070;C#CC12CCC(=C)C1O2;BQSKCPZSIIQGHW-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210071;MM210071;C#CC12CCC(=O)C1O2;NEOSOQQNYIZFIX-UHFFFAOYSA-N;122.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210072;MM210072;C#CC12CCC(=N)N1C2;BDFCCJDJDFPTJL-UHFFFAOYSA-N;120.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210073;MM210073;C#CC12CCC(=O)N1C2;VGQYYTKJECMUKH-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210074;MM210074;COC(=CN)C(CO)=NN;FWNSFVPSSHWJDL-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210075;MM210075;CCC12C=CC(N)C1C2;MTFAOIPRXKEFKL-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210076;MM210076;NCC12C=CC(N)C1C2;GMKCQZCTHFVSFZ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210077;MM210077;NC1C=CC2(CO)CC12;HZGFTPIZKGEMPN-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210078;MM210078;C#CC=NNC(=NN)NO;ALOSRSAIXCLIFF-UHFFFAOYSA-N;141.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210079;MM210079;NCC12C=CC(O)C1C2;RKPDZUCNBHQEJX-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210080;MM210080;COC12C=CC(O)C1C2;BCYSYAYEBVVMBO-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210081;MM210081;CCC12C=NN(C)C1C2;NZRNMFZYMUJJGO-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210082;MM210082;CN1N=CC2(CN)CC12;MDKPCBALDYQWET-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210083;MM210083;CNN=CC=C(C#N)CO;AVVDBOWEQFTSAA-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210084;MM210084;COC12C=NN(C)C1C2;WTJSFTXEPIGVEA-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210085;MM210085;CCC12CC1N(C)C=N2;MZASHVLVAYSJEW-UHFFFAOYSA-N;124.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210086;MM210086;CN1C=NC2(CN)CC12;BZCAYRVAHWQUPH-UHFFFAOYSA-N;125.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210087;MM210087;CON=CC=C(C#N)CO;WJRAWYQANAKMQM-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210088;MM210088;C#CC1(CO)NC1CCC;DMHCSAAWMGLIEI-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210089;MM210089;C#CC1(CO)NC1CCF;GQRFPYCQAGCQGM-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210090;MM210090;CC1C=CC2(CN)NC12;DHILEGXXUFRGFP-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210091;MM210091;CCC12C=CC(N)C1N2;HWCOYHVZGOKFPW-UHFFFAOYSA-N;124.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210092;MM210092;NCC12C=CC(N)C1N2;MPKPPPULFQGZQC-UHFFFAOYSA-N;125.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210093;MM210093;NC1C=CC2(CO)NC12;DFYCXHUDSCQGQS-UHFFFAOYSA-N;126.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210094;MM210094;NC1C=CC2(CF)NC12;KHVUXJGBNQNVGF-UHFFFAOYSA-N;128.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210095;MM210095;C#CC1(CO)NC1COC;MNLSUDMVXONAMH-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210096;MM210096;NCC12C=CC(O)C1N2;FZOGVEUFSYSCMB-UHFFFAOYSA-N;126.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210097;MM210097;C#CC1(CO)CN1CCC;BLCTUZAXPUKZRH-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210098;MM210098;C#CC1(CO)CN1CCF;AGXVPNRBEQGNSF-UHFFFAOYSA-N;143.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210099;MM210099;CCC12C=CC(F)C1N2;DOJHBEYNMLUEPU-UHFFFAOYSA-N;127.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210100;MM210100;NCC12C=CC(F)C1N2;DVGHOHLWEANRDY-UHFFFAOYSA-N;128.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210101;MM210101;C#CC1(CO)NC1CC#N;STIGERUWEDVCEC-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210102;MM210102;FCC12C=CC(F)C1N2;OPJREYIDSZCDDJ-UHFFFAOYSA-N;131.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210103;MM210103;CCC12C=CC(N)C1O2;KUXQXCDZKQZIFD-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210104;MM210104;NCC12C=CC(N)C1O2;OANMUWOIPSQBHX-UHFFFAOYSA-N;126.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210105;MM210105;NC1C=CC2(CO)OC12;PBVYGOUKYQFETJ-UHFFFAOYSA-N;127.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210106;MM210106;NC1C=CC2(CF)OC12;FCKSJGGQINFVIM-UHFFFAOYSA-N;129.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210107;MM210107;CCC12C=CC(O)C1O2;OVEUJHUKLCJDMN-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210108;MM210108;NCC12C=CC(O)C1O2;MGOWRLMAQDKBNI-UHFFFAOYSA-N;127.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210109;MM210109;OCC12C=CC(O)C1O2;CDFWNIGFCZQCBA-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210110;MM210110;OC1C=CC2(CF)OC12;WJZNPCIIBYVDTI-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210111;MM210111;CCC12C=CC(F)C1O2;KTXKSYBMPQDEAD-UHFFFAOYSA-N;128.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210112;MM210112;NCC12C=CC(F)C1O2;AATWYRIOFUDDMG-UHFFFAOYSA-N;129.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210113;MM210113;OCC12C=CC(F)C1O2;ZRPUFSQTIPQEQA-UHFFFAOYSA-N;130.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210114;MM210114;FCC12C=CC(F)C1O2;PYCPIYLYPNGFDL-UHFFFAOYSA-N;132.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210115;MM210115;CC1C=CC2(CN)CN12;VDVCYMFWPWUEMZ-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210116;MM210116;C#CC1(CO)CN1CC#N;INUKOWANRSRXKX-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210117;MM210117;O=CC12C=CC(F)C1C2;PCGMQRZNEFYTHQ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210118;MM210118;CN1N=CC2(C=O)CC12;NGMLGFFTNTUQEJ-UHFFFAOYSA-N;124.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210119;MM210119;CN1C=NC2(C#N)CC12;OOEKSFDMBGUJCM-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210120;MM210120;C#CCN1CC1(C#C)CO;KHKDVUSOLSLEII-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210121;MM210121;Nn1nnc(CO)cc1=O;CDOKBYAPIBREDE-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210122;MM210122;C=NN1C=NC(=NC=N)C1;GVALCCUOSSUBMA-UHFFFAOYSA-N;137.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210123;MM210123;C=CC12C=CC(C)C1N2;CKLFIVPAMNRHNL-UHFFFAOYSA-N;121.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210124;MM210124;CC1C=CC2(C=O)NC12;HRNDIXSXSYEKJY-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210125;MM210125;CC=Nn1cc(CO)cn1;JFLWRRHHBMJYRI-UHFFFAOYSA-N;139.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210126;MM210126;C=CC12C=CC(F)C1N2;REBNOCNDMSKOLG-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210127;MM210127;O=CC12C=CC(F)C1N2;LAEOXSWVVUGMCB-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210128;MM210128;CC1C=CC2(C=O)OC12;FHFNLZFFIGENLO-UHFFFAOYSA-N;124.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210129;MM210129;C=CC12C=CC(N)C1O2;CZHHPTWWCIPMGP-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210130;MM210130;C=CC12C=CC(O)C1O2;MZJKYULMTIYOKJ-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210131;MM210131;O=CC12C=CC(O)C1O2;IIDBBNJAFFSHPZ-UHFFFAOYSA-N;126.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210132;MM210132;C=CC12C=CC(F)C1O2;KXGXCEWEZPXFCI-UHFFFAOYSA-N;126.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210133;MM210133;CC1C=CC2(C=O)CN12;SMHOIHJVYVVVBP-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210134;MM210134;C#CC12CC1N(N)C=N2;IKKTVYWVQLLQRU-UHFFFAOYSA-N;121.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210135;MM210135;C#CC1C(C2(O)CC2)N1C;UHUQTMOZSAGRIW-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210136;MM210136;C=C1C=CC2(CC)CC12;JOUDPQLXXUEVHY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210137;MM210137;C=C1C=CC2(CN)CC12;FGBJBWNIMVSOHO-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210138;MM210138;C#Cc1c[nH]c(N=O)c1N;DERCWHYGONMDRR-UHFFFAOYSA-N;135.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210139;MM210139;C=C1C=CC2(CF)CC12;OKZGNDADOKZIMA-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210140;MM210140;CCC12C=CC(=O)C1C2;SSFIBMJAVFCWOU-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210141;MM210141;O=C1C=CC2(CO)CC12;FSTAWIOPLRPPRW-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210142;MM210142;O=C1C=CC2(CF)CC12;RQGZPMKYRYWLGZ-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210143;MM210143;C=C1C=CC2(NC)CC12;SRASNORYFZKBDW-UHFFFAOYSA-N;121.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210144;MM210144;CNC12C=CC(=O)C1C2;QMMVIEDPVAHEPF-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210145;MM210145;C=C1C=CC2(CC)NC12;SQJIVQSKKCIQOY-UHFFFAOYSA-N;121.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210146;MM210146;C=C1C=CC2(CN)NC12;OAZBTJOXXZZSHG-UHFFFAOYSA-N;122.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210147;MM210147;N#CC(C=O)C1NC1CO;MJFXFJXNHKNULG-UHFFFAOYSA-N;140.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210148;MM210148;C=C1C=CC2(CF)NC12;YVMHGDIEPPIAIT-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210149;MM210149;C#CC1(CO)NC1C1CC1;QRYSNYJKHJEQER-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210150;MM210150;C#CC1(CO)NC1C1CO1;QLYCHYUCSOVKHA-UHFFFAOYSA-N;139.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210151;MM210151;C=C1C=CC2(CC)OC12;VUUHRBWHZOOWLS-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210152;MM210152;C=C1C=CC2(CN)OC12;ZBDLNGIORZIBSE-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210153;MM210153;C=C1C=CC2(CO)OC12;MXYOSBYJNJFQJN-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210154;MM210154;C=C1C=CC2(CF)OC12;UQSCVLHFWIPMTH-UHFFFAOYSA-N;126.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210155;MM210155;CCC12C=CC(=O)C1O2;NCBJAPHCXBTGGA-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210156;MM210156;O=C1C=CC2(CO)OC12;KXPXESYKJCDWBU-UHFFFAOYSA-N;126.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210157;MM210157;O=C1C=CC2(CF)OC12;VKXNLXPBNLDOFX-UHFFFAOYSA-N;128.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210158;MM210158;CCC12C=CC(=N)N1C2;KZCVAVGDNRGSGH-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210159;MM210159;N=C1C=CC2(CN)CN12;BKNVQOTUPCAPFO-UHFFFAOYSA-N;123.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210160;MM210160;N=C1C=CC2(CO)CN12;KCPJUWKQSUPKNJ-UHFFFAOYSA-N;124.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210161;MM210161;CCC12C=CC(=O)N1C2;ZQTYGIIKPAUGBD-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210162;MM210162;NCC12C=CC(=O)N1C2;GTGPSSIOLJUDNO-UHFFFAOYSA-N;124.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210163;MM210163;O=C1C=CC2(CO)CN12;ICDWQLHDCOQRSF-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210164;MM210164;C=CC12C=CC(=C)C1C2;PAALEOXDCYABAP-UHFFFAOYSA-N;118.18;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210165;MM210165;C=C1C=CC2(C=O)CC12;GAORFEIFIIMBKZ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210166;MM210166;C=C1C=CC2(C#N)CC12;PJPHRFHXGADSIS-UHFFFAOYSA-N;117.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210167;MM210167;C=CC12C=CC(=O)C1C2;PZVHZFOIMYMXCV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210168;MM210168;O=CC12C=CC(=O)C1C2;VHCUKWYZYBZLHA-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210169;MM210169;N#CC12C=CC(=O)C1C2;AGPOHMFECVWDNM-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210170;MM210170;C=CC12C=CC(=C)C1N2;VIZJQUAFMQAHAJ-UHFFFAOYSA-N;119.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210171;MM210171;C#CC1(CO)CN1C1CC1;KBXCQYAXSHGGHG-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210172;MM210172;C=CC12C=CC(=C)C1O2;CIQDRTNWSIPEFR-UHFFFAOYSA-N;120.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210173;MM210173;C=C1C=CC2(C=O)OC12;GYHCMYSJKKNRNP-UHFFFAOYSA-N;122.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210174;MM210174;O=CC12C=CC(=O)C1O2;VZYNFYRHFKANCX-UHFFFAOYSA-N;124.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210175;MM210175;C=CC12C=CC(=N)N1C2;TXXHHAASEARFMF-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210176;MM210176;C=CC12C=CC(=O)N1C2;NDNCQDJOJICRBZ-UHFFFAOYSA-N;121.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210177;MM210177;C#CC12C=CC(=C)C1C2;VXZCBFRGSQPDCA-UHFFFAOYSA-N;116.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210178;MM210178;C#CC12C=CC(=O)C1C2;SKTMTFSWIPTUMQ-UHFFFAOYSA-N;118.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210179;MM210179;CCC1(C)CC1C1CC1;BDARTHBISPABHH-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210180;MM210180;CC1(CN)CC1C1CC1;GRVLHSRDRVMEQO-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210181;MM210181;C=NN1CC(C)(O)C1;MLKMRAMAFFGONG-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210182;MM210182;CC1(CF)CC1C1CC1;PSOZTYZYUDONGQ-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210183;MM210183;CCC1(N)CC1C1CC1;DUDPVLUTYIEIGM-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210184;MM210184;NCC1(N)CC1C1CC1;YNMQSQFVLYWXFO-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210185;MM210185;NC1(CO)CC1C1CC1;QFARNWCAFRTPDN-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210186;MM210186;NC1(CF)CC1C1CC1;SMLGRQGQCBNFSL-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210187;MM210187;O=CN1CC(O)CN1;YCLZIGPCPTUMCM-UHFFFAOYSA-N;116.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210188;MM210188;NCC1(O)CC1C1CC1;CHVYBQXKWDQGDX-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210189;MM210189;OCC1(O)CC1C1CC1;ZVDGFRMNOXMUEP-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210190;MM210190;OC1(CF)CC1C1CC1;VCWGXKXASMFEDW-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210191;MM210191;CCC1(F)CC1C1CC1;FXIZTJKDIZGHCZ-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210192;MM210192;NCC1(F)CC1C1CC1;YKDAJXKWTILXGJ-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210193;MM210193;OCC1(F)CC1C1CC1;XMAJKRYUVFQEBC-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210194;MM210194;CNC1(C)CC1C1CC1;QPVNGNMQXTVAOJ-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210195;MM210195;COC1(C)CC1C1CC1;OCQOUYQSTXQTMM-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210196;MM210196;CC1(CN)CC1C1CN1;UESKJNNWICFEJD-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210197;MM210197;CCC1(N)CC1C1CN1;FLASFJSYBFPYCD-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210198;MM210198;NCC1(N)CC1C1CN1;WIQYXJCUWDIOKQ-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210199;MM210199;NC1(CO)CC1C1CN1;BTYPKWBVOFXZDS-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210200;MM210200;NC1(CF)CC1C1CN1;LPLUPPHLVFVGAP-UHFFFAOYSA-N;130.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210201;MM210201;NCC1(O)CC1C1CN1;POMUVNFPTGSUJV-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210202;MM210202;NCC1(F)CC1C1CN1;DFQILBGTLKBOGA-UHFFFAOYSA-N;130.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210203;MM210203;CNC1(C)CC1C1CN1;OXVLIMXUTSSBKW-UHFFFAOYSA-N;126.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210204;MM210204;CCC1(C)CC1C1CO1;DRMCLAJEVWMIME-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210205;MM210205;CC1(CN)CC1C1CO1;XXDRIQJNXYIUGT-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210206;MM210206;CC1(CO)CC1C1CO1;CLPHQHBRWABHBU-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210207;MM210207;CC1(CF)CC1C1CO1;ZAWJTPPGLQGXPK-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210208;MM210208;CCC1(N)CC1C1CO1;DFMFOLCIYXOTSW-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210209;MM210209;NCC1(N)CC1C1CO1;HACDETPJMOVXJO-UHFFFAOYSA-N;128.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210210;MM210210;NC1(CO)CC1C1CO1;ANKNHRMDWQMAHR-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210211;MM210211;NC1(CF)CC1C1CO1;AXAAIHQQKCRCJK-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210212;MM210212;CCC1(O)CC1C1CO1;BSWCVEZZMLYVOC-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210213;MM210213;NCC1(O)CC1C1CO1;RSHQPPSDACUPNX-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210214;MM210214;OCC1(O)CC1C1CO1;SWXCSPIRYWJQHI-UHFFFAOYSA-N;130.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210215;MM210215;OC1(CF)CC1C1CO1;OVGKHOOZVBKWQN-UHFFFAOYSA-N;132.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210216;MM210216;CCC1(F)CC1C1CO1;IHXXFLLISJJCBK-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210217;MM210217;NCC1(F)CC1C1CO1;UDZPQLMHJCDWID-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210218;MM210218;OCC1(F)CC1C1CO1;FWSNAWBGLFBUQG-UHFFFAOYSA-N;132.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210219;MM210219;FCC1(F)CC1C1CO1;PWEKBNZUTPTJNJ-UHFFFAOYSA-N;134.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210220;MM210220;CNC1(C)CC1C1CO1;LZLUROXHKNJFGA-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210221;MM210221;COC1(C)CC1C1CO1;IRVLGXHYUJVVBJ-UHFFFAOYSA-N;128.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210222;MM210222;CC1(CN)NC1C1CC1;LOAXPZUNRJJBBE-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210223;MM210223;CC1(CF)NC1C1CC1;XXPBPOZDCGZXCX-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210224;MM210224;CC1(CN)NC1C1CN1;AZFXSVGINWWHQN-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210225;MM210225;CC1(CN)NC1C1CO1;XQUUWHPENFIENK-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210226;MM210226;C=NN1C=NC(=N)C1;RYHOGERPNDCNQL-UHFFFAOYSA-N;110.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210227;MM210227;CC1(CF)NC1C1CO1;QATGICSAZBUXES-UHFFFAOYSA-N;131.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210228;MM210228;CCC1(C)OC1C1CC1;PFGHRWHGXWUARS-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210229;MM210229;CC1(CN)OC1C1CC1;KWBJIXMOGAMQCX-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210230;MM210230;CC1(CO)OC1C1CC1;WVVJVXRDUSKASH-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210231;MM210231;CC1(CN)OC1C1CN1;KEJGUAIBXRCTCU-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210232;MM210232;CCC1(C)OC1C1CO1;LNTCWTOHMSKPKY-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210233;MM210233;CC1(CN)OC1C1CO1;KZDJMGUONRDECH-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210234;MM210234;CC1(CO)OC1C1CO1;SPQWSZXQERDLKT-UHFFFAOYSA-N;130.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210235;MM210235;CC1(CN)CC1N1CC1;KPNUUFBZSBGLFL-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210236;MM210236;CC=NN1CC(C)(O)C1;HHZVBWDXXRLDQO-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210237;MM210237;CC1(CF)CC1N1CC1;AUSUKXGMCYDEGZ-UHFFFAOYSA-N;129.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210238;MM210238;CCC1(N)CC1N1CC1;WIIFQRMPOSBIFF-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210239;MM210239;NCC1(N)CC1N1CC1;FSVKQDKSKNNQSS-UHFFFAOYSA-N;127.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210240;MM210240;NC1(CO)CC1N1CC1;ZDVOGFTYJPFPHR-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210241;MM210241;C=NNCC1(O)CC1C;RUOSFUIVXZGPMI-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210242;MM210242;NCC1(O)CC1N1CC1;KJNKTBFQIAZRSJ-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210243;MM210243;CON=C(CO)CC#N;HUABOMSUYHVSAN-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210244;MM210244;C#CCC(CO)=NOC;IATUXFZPHMUNSD-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210245;MM210245;CCC1(F)CC1N1CC1;MRRXSVNNPQSTMJ-UHFFFAOYSA-N;129.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210246;MM210246;NCC1(F)CC1N1CC1;CGGPQWDXLQXCGF-UHFFFAOYSA-N;130.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210247;MM210247;CC#Cc1cc(N)n[nH]1;RKNDHMPIQLMUJK-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210248;MM210248;CNC1(C)CC1N1CC1;VPRLJWRIPMEJKE-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210249;MM210249;COC1(C)CC1N1CC1;XFPPLZARYOZRRP-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210250;MM210250;CC1(CN)CN1C1CC1;JDUVNPZAIGOZDB-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210251;MM210251;C=NN1CC2(O)CC1C2;UYHANVOFBZNXCC-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210252;MM210252;CC1(CF)CN1C1CC1;XYBGAZDIBVHRRT-UHFFFAOYSA-N;129.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210253;MM210253;CCC1CC1C1(C)CC1;HIJZGRCPWSEWHP-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210254;MM210254;CC1(C2CC2CN)CC1;VLOPZXFYVFPISJ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210255;MM210255;CC1(C2CC2CF)CC1;MDYIRLIQVLCURO-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210256;MM210256;CCC1CC1C1(N)CC1;UZNMYGBWJVQFFD-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210257;MM210257;NCC1CC1C1(N)CC1;CUPXSEGSYNZUPB-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210258;MM210258;NC1(C2CC2CO)CC1;YJZPZYDHAANMIA-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210259;MM210259;NC1(C2CC2CF)CC1;KBPMCRPJGCMBRH-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210260;MM210260;C#CC1NCC(=C)C1=O;BCMOHPCBATXUHT-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210261;MM210261;NCC1CC1C1(O)CC1;AOJYZUWCPIMROA-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210262;MM210262;OCC1CC1C1(O)CC1;FFWTWSOZEJBEES-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210263;MM210263;CCC1CC1C1(F)CC1;ZUKQKKSLBASNQI-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210264;MM210264;NCC1CC1C1(F)CC1;DAWOTAYPWGLDCY-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210265;MM210265;FCC1CC1C1(F)CC1;PAJJIKWCZNWTHY-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210266;MM210266;CNC1CC1C1(C)CC1;PNKCULMXUCBDNX-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210267;MM210267;CNC1CC1C1(N)CC1;ZJVWLGVDMCSKPR-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210268;MM210268;CNC1CC1C1(O)CC1;IMGHOIUHDTZPRR-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210269;MM210269;CNC1CC1C1(F)CC1;RLPUPWFWWCXDRE-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210270;MM210270;COC1CC1C1(C)CC1;GLJADVGEBAKUOI-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210271;MM210271;COC1CC1C1(N)CC1;HRELMVDZRSADDC-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210272;MM210272;COC1CC1C1(F)CC1;XDXOHAKXORSMCW-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210273;MM210273;CC1(C2CC2CN)CN1;AWWMFQRVUWLBGN-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210274;MM210274;CNC1CC1C1(C)CN1;WNYCAMQUURAHKY-UHFFFAOYSA-N;126.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210275;MM210275;CCC1CC1C1(C)CO1;PHXDHPKEGOVTEJ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210276;MM210276;CC1(C2CC2CN)CO1;GYKLPMASCQWTKQ-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210277;MM210277;CC1(C2CC2CO)CO1;YRXFEUFVZSXDCI-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210278;MM210278;CNC1CC1C1(C)CO1;JJJIABAZAYGGLH-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210279;MM210279;CC1(C2NC2CN)CC1;TVKUCGNQZYPMAI-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210280;MM210280;CC1(C2NC2CF)CC1;VAIRGCVODAOLHV-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210281;MM210281;CCC1NC1C1(N)CC1;ANMKKJRFNDJPSB-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210282;MM210282;NCC1NC1C1(N)CC1;BMPLQGKECGCRRS-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210283;MM210283;NC1(C2NC2CO)CC1;CPQXDLKXYLLGPV-UHFFFAOYSA-N;128.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210284;MM210284;CC1(C2NC2CN)CN1;UYABYWFQBPUMKI-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210285;MM210285;CC1(C2NC2CN)CO1;JEGORXONJFOIDK-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210286;MM210286;NN=C(CO)C(F)CF;DWELQCDVUOFGBN-UHFFFAOYSA-N;138.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210287;MM210287;CC1(C2NC2CF)CO1;RCYHAZNYJRAEJW-UHFFFAOYSA-N;131.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210288;MM210288;CCC1OC1C1(C)CC1;MTROCHLAVPEHTQ-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210289;MM210289;CCC1OC1C1(N)CC1;WUMOTVUAIXIYAR-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210290;MM210290;NC1(C2OC2CO)CC1;RIDYPOPBNTUYMI-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210291;MM210291;CCC1OC1C1(O)CC1;WCCYBINYYZMTNH-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210292;MM210292;CC1(C2OC2CN)CN1;XQKOMBDCASUHAS-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210293;MM210293;CCC1OC1C1(C)CO1;DEOVMWVBZFOVMZ-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210294;MM210294;CC1(C2OC2CN)CO1;RYJKDUSZPRAYPB-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210295;MM210295;CCN1CC1C1(N)CC1;OATJEPABBWXDLL-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210296;MM210296;CCN1CC1C1(F)CC1;CKAWWWOPBOLJSC-UHFFFAOYSA-N;129.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210297;MM210297;CCN1CC1C1(C)CO1;POEKFFZCAWSIFN-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210298;MM210298;CC1(N2CC2CN)CC1;MHKKRZMTIPWBKJ-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210299;MM210299;C=C(C=NN)OC(=C)CO;POULPNVCFFZTDE-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210300;MM210300;CC1(N2CC2CF)CC1;ZRPUCYWUOBKMRN-UHFFFAOYSA-N;129.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210301;MM210301;CC(C1CC1)C1(C)CC1;OTKBQUBCEPAPAZ-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210302;MM210302;CC(C1CC1)C1(N)CC1;ASIOYFMDJXYWQP-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210303;MM210303;CCN(C)C(C)=NC(N)=O;PWTYGHZODXCTSU-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210304;MM210304;CC(C1CC1)C1(F)CC1;LDZWSUHFGVVYRL-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210305;MM210305;CN(C1CC1)C1(C)CC1;OOKVHEWWFRKGRK-UHFFFAOYSA-N;125.22;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210306;MM210306;CC1(C(N)C2CN2)CC1;UYYRLNHZXIKDMB-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210307;MM210307;CC(C1CN1)C1(N)CC1;PNGGDAZKSLNSCC-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210308;MM210308;CC(C1CO1)C1(C)CC1;COQRGPNTJAIIPU-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210309;MM210309;CC(C1CO1)C1(N)CC1;HTRCXHFXCZOLTH-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210310;MM210310;CC(C1CO1)C1(F)CC1;IDMSTPPFWHASPF-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210311;MM210311;CC1(C(N)C2CC2)CN1;LHKNPSKUFGZMNW-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210312;MM210312;CC1(C(N)C2CN2)CN1;MNWBRQHSWMCMKN-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210313;MM210313;CC(C1CC1)C1(C)CO1;VAQPFEUBENLYSK-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210314;MM210314;CC1(C(N)C2CC2)CO1;PTVDEKOQDXGITA-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210315;MM210315;CC1(C(N)C2CN2)CO1;BFUUWNMPQMHVDD-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210316;MM210316;CC(C1CO1)C1(C)CO1;FLSLHYUWXCZCRK-UHFFFAOYSA-N;128.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210317;MM210317;CC(N1CC1)C1(N)CC1;VTLMQQCPUJSDEZ-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210318;MM210318;CC1(CCC2CC2)CC1;BUXMSRKHZMNXFL-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210319;MM210319;NC1(CCC2CC2)CC1;WAEMEZTZETYYKN-UHFFFAOYSA-N;125.22;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210320;MM210320;CN(O)C(=N)C(C#N)CO;OKOCGXWVWSSDQW-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210321;MM210321;FC1(CCC2CC2)CC1;XQDTYJCOWZYZFS-UHFFFAOYSA-N;128.19;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210322;MM210322;CC1(CNC2CC2)CC1;LSGQOAQAVKIUAD-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210323;MM210323;NC1(CNC2CC2)CC1;HQZAXYWPEKLEPT-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210324;MM210324;OC1(CNC2CC2)CC1;AIPCDGPHVDXPKA-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210325;MM210325;FC1(CNC2CC2)CC1;PAYYHWDUWCGHIR-UHFFFAOYSA-N;129.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210326;MM210326;CC1(COC2CC2)CC1;VACRGCFWFJIQKU-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210327;MM210327;NC1(COC2CC2)CC1;SBVHQQDFYYGCPM-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210328;MM210328;OC1(COC2CC2)CC1;WBAPCCHHSWKCFA-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210329;MM210329;FC1(COC2CC2)CC1;VOXWVCDPKVOUDS-UHFFFAOYSA-N;130.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210330;MM210330;CC1(NCC2CC2)CC1;LUZQZLZQSYWJCU-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210331;MM210331;CC1(OCC2CC2)CC1;WYPUSCZBJMYEPJ-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210332;MM210332;NC1(CCC2CN2)CC1;JMYHRCFYIPRKOX-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210333;MM210333;CC1(NCC2CN2)CC1;YRHJRHLFJOLRBZ-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210334;MM210334;CC1(CCC2CO2)CC1;OMTTZLBZALRWDF-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210335;MM210335;NC1(CCC2CO2)CC1;BZNQOMXDHWNVQT-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210336;MM210336;OC1(CCC2CO2)CC1;DOKFYSBUTPNKMG-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210337;MM210337;CC1(NCC2CO2)CC1;ZKIOBSAZVRKTTC-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210338;MM210338;CC1(OCC2CO2)CC1;AFFMLHQSZNGCMT-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210339;MM210339;CC1(CNC2CC2)CN1;RIFXWJBFBYQYNH-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210340;MM210340;CC1(CCC2CC2)CO1;XUAGYAGPLNTFAZ-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210341;MM210341;CC1(CNC2CC2)CO1;CXXDQYCDOPYFHG-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210342;MM210342;CC1(COC2CC2)CO1;RXFYGSJNLFMYIH-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210343;MM210343;CC1(CCC2CO2)CO1;FUFDTDFJBKLVLS-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210344;MM210344;NC1(CCN2CC2)CC1;OHGUEPVZHKDDSP-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210345;MM210345;CCC1(C2CC2C)CC1;PJEJNBNWAOYFCZ-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210346;MM210346;CC1CC1C1(CN)CC1;VQKQXDGXWFXPLT-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210347;MM210347;CC(O)C(C)C(CO)=NN;LXXGRBDZWAANEH-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210348;MM210348;CC1CC1C1(CF)CC1;YTWUOWRNRMLPIM-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210349;MM210349;CCC1(C2CC2N)CC1;KOQVNYZSDAMELS-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210350;MM210350;NCC1(C2CC2N)CC1;LBSOISZMVODUMN-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210351;MM210351;NC1CC1C1(CO)CC1;PXRBHBVOBGNIJS-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210352;MM210352;NC1CC1C1(CF)CC1;PJAAMOIRJHZZOT-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210353;MM210353;CCC(O)CC(CO)=NN;IWVZQIDXIHSTSX-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210354;MM210354;NCC1(C2CC2O)CC1;RCBLMMMEGRRUMY-UHFFFAOYSA-N;127.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210355;MM210355;OCC1(C2CC2O)CC1;LYWBYHCCHNRUHV-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210356;MM210356;OC1CC1C1(CF)CC1;JXQQQCDWCROYJH-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210357;MM210357;CCC1(C2CC2F)CC1;ZQKCBCMRWSMLDR-UHFFFAOYSA-N;128.19;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210358;MM210358;NCC1(C2CC2F)CC1;JHIMZHYXNGDPLV-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210359;MM210359;OCC1(C2CC2F)CC1;FTIOTNHBOMDPNV-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210360;MM210360;FCC1(C2CC2F)CC1;WSNJRFLYTXIVSN-UHFFFAOYSA-N;132.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210361;MM210361;CNC1(C2CC2C)CC1;LDZBDQLZCWIEHK-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210362;MM210362;CNC1(C2CC2N)CC1;OBTOIJDIPUUGMN-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210363;MM210363;CNC1(C2CC2O)CC1;QCDYNQCXMPJSRJ-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210364;MM210364;CNC1(C2CC2F)CC1;LDVHIURFVVNQKS-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210365;MM210365;COC1(C2CC2C)CC1;UOMKLRTYQBVKHA-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210366;MM210366;COC1(C2CC2N)CC1;AFHVTKDAICPBAJ-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210367;MM210367;COC1(C2CC2O)CC1;DNQFIDQOPADJBD-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210368;MM210368;COC1(C2CC2F)CC1;MSWVKWZQIKIULV-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210369;MM210369;CC1CC1C1(CN)CN1;VWIBXBIARVIJNT-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210370;MM210370;CCC1(C2CC2N)CN1;IAXGWZFMBCLJTM-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210371;MM210371;NCC1(C2CC2N)CN1;BESANBWUVANLFZ-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210372;MM210372;NC1CC1C1(CO)CN1;OWDHEYAUHBIYIZ-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210373;MM210373;NCC1(C2CC2O)CN1;IAHOJQUHRDBXER-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210374;MM210374;NCC1(C2CC2F)CN1;COQAMVLBUHJYMG-UHFFFAOYSA-N;130.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210375;MM210375;CC1CC1C1(CN)CO1;ZIVLWUBGITVYQT-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210376;MM210376;CCC1(C2CC2N)CO1;WTYOUPCAOITCAR-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210377;MM210377;NC1CC1C1(CO)CO1;UYMUSFLRCDDCPM-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210378;MM210378;NC1CC1C1(CF)CO1;FYKVHCWRGHTETH-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210379;MM210379;CCC1(C2CC2O)CO1;QHAXVUMOIPAMIZ-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210380;MM210380;OC1CC1C1(CF)CO1;XRRAMZOQMXKWCH-UHFFFAOYSA-N;132.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210381;MM210381;CCC1(C2CC2F)CO1;UTBWHSYNYOQRFW-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210382;MM210382;CC1NC1C1(CN)CC1;MTQPAQQAMCHDRA-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210383;MM210383;CNC1(C2NC2C)CC1;IHBQGBDWHASUMI-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210384;MM210384;CC1NC1C1(CN)CN1;BDTYDFWRSXSROK-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210385;MM210385;CC1NC1C1(CN)CO1;JENUNZIYACLUTK-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210386;MM210386;CCC1(C2OC2C)CC1;SQAPCWDYUJXRQU-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210387;MM210387;CC1OC1C1(CN)CC1;MIMRGBQXLLAGMG-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210388;MM210388;CC1OC1C1(CO)CC1;TXNGPPGUFWVVAC-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210389;MM210389;CC1OC1C1(CF)CC1;CKFDJUZWGZIPON-UHFFFAOYSA-N;130.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210390;MM210390;CNC1(C2OC2C)CC1;RLNKVJHLGOSTTA-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210391;MM210391;COC1(C2OC2C)CC1;NNSZNPDXQIAUSG-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210392;MM210392;CC1OC1C1(CN)CN1;DMKWVDYPPKQXTH-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210393;MM210393;NC(C=O)=NC(=CF)CO;MUIWUGHWMPEAIS-UHFFFAOYSA-N;146.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210394;MM210394;CC1OC1C1(CN)CO1;ZNUBUGJCAICCBN-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210395;MM210395;CN1CC1C1(CN)CC1;RTAYFKNWKGLLCQ-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210396;MM210396;CON=C(NO)OCCO;UNAVZNORYLQCQD-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210397;MM210397;CNC1(C2CN2C)CC1;GYMWSAAEFHFJHH-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210398;MM210398;CN1CC1C1(CN)CN1;ZDAPPTCDPMSNRC-UHFFFAOYSA-N;127.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210399;MM210399;CCC1(C2CN2C)CO1;DUZVCRNPOCWVPH-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210400;MM210400;CN1CC1C1(CN)CO1;OBKYZYFEOORKPP-UHFFFAOYSA-N;128.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210401;MM210401;CC1CN1C1(CN)CC1;PFOFKLCGNIJBOO-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210402;MM210402;CCC1(CC2CC2)CC1;ZPDHNHKPMSZSRE-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210403;MM210403;NCC1(CC2CC2)CC1;YWZSYOWFJKVQDG-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210404;MM210404;CNN=C(C=NOC)CO;OTVJVGYBJISSPF-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210405;MM210405;FCC1(CC2CC2)CC1;PYULWFUZHJWUOJ-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210406;MM210406;CNC1(CC2CC2)CC1;GWVGFYIXFXHACY-UHFFFAOYSA-N;125.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210407;MM210407;COC1(CC2CC2)CC1;OUJKYZGERFGMQA-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210408;MM210408;CCC1(NC2CC2)CC1;GELHNNDDBATYLJ-UHFFFAOYSA-N;125.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210409;MM210409;NCC1(NC2CC2)CC1;PSZCFQAHWLYMIK-UHFFFAOYSA-N;126.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210410;MM210410;OCC1(NC2CC2)CC1;HDIJSSJXGMFXPL-UHFFFAOYSA-N;127.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210411;MM210411;CCC1(OC2CC2)CC1;FSJXZBGIXFULLT-UHFFFAOYSA-N;126.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210412;MM210412;NCC1(OC2CC2)CC1;YZOUZLGHRJJEMP-UHFFFAOYSA-N;127.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210413;MM210413;OCC1(OC2CC2)CC1;ODXKPNQDDPQCJO-UHFFFAOYSA-N;128.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210414;MM210414;COC1(OC2CC2)CC1;MNVODUAQQQJYOI-UHFFFAOYSA-N;128.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210415;MM210415;NCC1(CC2CN2)CC1;LUPNEWFTCRYAOQ-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210416;MM210416;CNC1(CC2CN2)CC1;USRJSUMZODPJPX-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210417;MM210417;CCC1(CC2CO2)CC1;UZDWTFHYLXHRHR-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210418;MM210418;NCC1(CC2CO2)CC1;YZSOLPWHIGCHBN-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210419;MM210419;OCC1(CC2CO2)CC1;CIVIFWNFACRLMJ-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210420;MM210420;FCC1(CC2CO2)CC1;DYMAPSUUGCLKMA-UHFFFAOYSA-N;130.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210421;MM210421;CNC1(CC2CO2)CC1;TWUDQQTXOYXHHZ-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210422;MM210422;COC1(CC2CO2)CC1;MCOMUYHAWNCNHC-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210423;MM210423;NCC1(CC2CC2)CN1;YDYJTCFOJPUILS-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210424;MM210424;FCC1(CC2CC2)CN1;AQHWTKHSNMJPLW-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210425;MM210425;NCC1(CC2CN2)CN1;CLLCFRUUTZSPJO-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210426;MM210426;NCC1(CC2CO2)CN1;RWNDXDFEUCOXDD-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210427;MM210427;CCC1(CC2CC2)CO1;SIKSTVVFKSTESI-UHFFFAOYSA-N;126.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210428;MM210428;NCC1(CC2CC2)CO1;GSOFCVINSXUFLK-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210429;MM210429;OCC1(CC2CC2)CO1;LCZKHJVIOGUSOZ-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210430;MM210430;NCC1(CC2CN2)CO1;PFDVKLPAFMHVJN-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210431;MM210431;CCC1(CC2CO2)CO1;VXDAXLZKRABYJF-UHFFFAOYSA-N;128.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210432;MM210432;NCC1(CC2CO2)CO1;NRDRFTBTOWRKGH-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210433;MM210433;NCC1(CN2CC2)CC1;IRJSBHBWGZRKQK-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210434;MM210434;N#CCNN(C=N)C(N)=O;ROLZXNZNWKFUCG-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210435;MM210435;FCC1(CN2CC2)CC1;BHELTRMQBXAYRU-UHFFFAOYSA-N;129.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210436;MM210436;CNC1(CN2CC2)CC1;PJFYQASHKYHNAU-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210437;MM210437;NCC1(CN2CC2)CN1;JMKHQVIKJNQQFB-UHFFFAOYSA-N;127.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210438;MM210438;FCC1(CN2CC2)CN1;SKENNMVFIOTMHO-UHFFFAOYSA-N;130.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210439;MM210439;CCC1(CN2CC2)CO1;MNELUVQODHQSCK-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210440;MM210440;NCC1(CN2CC2)CO1;AFZHIEOECIVFOE-UHFFFAOYSA-N;128.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210441;MM210441;CN(O)C(=NN)OCCO;DFZATSLISWQEDE-UHFFFAOYSA-N;149.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210442;MM210442;FCC1(CN2CC2)CO1;ATLQNLZEIBYMRG-UHFFFAOYSA-N;131.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210443;MM210443;CCC(C)C1CC1CC;QXUDEDWTDFOXNB-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210444;MM210444;CCC1CC1C(C)CN;VFGYIGJLVLJJDV-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210445;MM210445;Cc1noc(=N)nc1CO;VXGDEIRITKAWKF-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210446;MM210446;CCC1CC1C(C)CF;ZKZJJBGMDJAQAX-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210447;MM210447;CCC(C)C1CC1CN;HTPBLQHMIWDOAH-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210448;MM210448;CC(CN)C1CC1CN;URHNBQLDCCGPEF-UHFFFAOYSA-N;128.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210449;MM210449;CC(CF)C1CC1CN;XBVUVXYEVWEGNO-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210450;MM210450;CCC(=NN)C(CO)=NN;FQYVSAYTAVDEQJ-UHFFFAOYSA-N;144.18;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210451;MM210451;CC(CN)C1CC1CO;ZPZLGEFWTKCHCY-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210452;MM210452;CCC(C)C1CC1CF;KUZLXKZJWHBMQA-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210453;MM210453;CC(CN)C1CC1CF;VDJKDTQBHPGHDH-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210454;MM210454;NN=C(C=NOC=O)CO;XCNDTJBIDMXDFK-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210455;MM210455;CCC(N)C1CC1CC;CZCIGMNBQHHXAG-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210456;MM210456;CCC1CC1C(N)CN;VXOHBAFBUMMWBO-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210457;MM210457;CCC1CC1C(N)CO;SNDWSTAUTDOTJB-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210458;MM210458;CCC1CC1C(N)CF;YOBOSTXAESGMHD-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210459;MM210459;CCC(N)C1CC1CN;SIVYGLJUKFFDDP-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210460;MM210460;NCC(N)C1CC1CN;CTKNOGBNBOBQAI-UHFFFAOYSA-N;129.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210461;MM210461;NCC1CC1C(N)CO;YJSQRXJSYRRFOM-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210462;MM210462;NCC1CC1C(N)CF;YZGSXECVPBHBKN-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210463;MM210463;CCC(N)C1CC1CO;VLIZXFLSJFKRRK-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210464;MM210464;NCC(N)C1CC1CO;SVBZYBSOSMPYNB-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210465;MM210465;NC(CO)C1CC1CO;GHEAYIHGJFWJML-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210466;MM210466;CCC(N)C1CC1CF;YJAILVGLKJAKQA-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210467;MM210467;NCC(N)C1CC1CF;UXQVLNBKOFFNAW-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210468;MM210468;NC(CO)C1CC1CF;UZIVJWRXWLMOIC-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210469;MM210469;C=COC(=C)C(CO)=NN;ZBGIVCAJZIOBGM-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210470;MM210470;CCC1CC1C(O)CN;PAWHHIKHTBVFEQ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210471;MM210471;CCC1CC1C(O)CO;LVIMODKHCXVAHF-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210472;MM210472;CCC1CC1C(O)CF;GWMIGAFQJXWUKF-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210473;MM210473;CCC(O)C1CC1CN;CTGLSCIAKQTSTC-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210474;MM210474;NCC(O)C1CC1CN;DVFNGJCXTOGJRY-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210475;MM210475;NCC1CC1C(O)CO;YRJUNZMRKHUMCV-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210476;MM210476;NCC1CC1C(O)CF;FMJDUHBUTVVOBN-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210477;MM210477;CCC(O)C1CC1CO;BLRVNPVYJAXLOJ-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210478;MM210478;NCC(O)C1CC1CO;RLSOCUHYMJCFGX-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210479;MM210479;OCC(O)C1CC1CO;DVBNDWVFMYUTFV-UHFFFAOYSA-N;132.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210480;MM210480;OCC1CC1C(O)CF;AQNJCOZZFGWCCG-UHFFFAOYSA-N;134.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210481;MM210481;NCC(O)C1CC1CF;UCZYDGLWWYJMND-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210482;MM210482;OCC(O)C1CC1CF;WKFLGLZZHXREEM-UHFFFAOYSA-N;134.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210483;MM210483;CCC(F)C1CC1CC;HOEQNFBGEKCIQA-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210484;MM210484;CCC1CC1C(F)CN;PJZMFONRSRFJFE-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210485;MM210485;CCC1CC1C(F)CO;ORCSPQQTKLSBMY-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210486;MM210486;CCC1CC1C(F)CF;HITSXJGOFWDMOT-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210487;MM210487;CCC(F)C1CC1CN;OOPHFDRWWJCEMB-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210488;MM210488;NCC(F)C1CC1CN;MADOHGIMSSLEOY-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210489;MM210489;NCC1CC1C(F)CO;ZEJKUVAMZVZKBJ-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210490;MM210490;CCC(F)C1CC1CO;SIVPANSZVBLBLX-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210491;MM210491;OCC(F)C1CC1CO;WLIHPBZHCQHCEU-UHFFFAOYSA-N;134.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210492;MM210492;CCC(F)C1CC1CF;NETQTBOPXMNICT-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210493;MM210493;CCC1CC1C(C)NC;GGHPDACVBCTFEV-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210494;MM210494;CNC(C)C1CC1CN;VYIACLWLEQKYOZ-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210495;MM210495;CNC(C)C1CC1CO;JBIJZFZHCTXCDB-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210496;MM210496;CCC1CC1C(C)OC;RIQZCGWIRMABMM-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210497;MM210497;COC(C)C1CC1CN;QDBKWYJZWJFWKY-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210498;MM210498;COC(C)C1CC1CF;AACMUKADQNDMIK-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210499;MM210499;CNC1CC1C(C)CN;QQYWNZDGJMODSB-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210500;MM210500;CNC1CC1C(C)CO;FTSONOUTYNNDQV-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210501;MM210501;CNC1CC1C(C)CF;PWZHNJGVWRHTCC-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210502;MM210502;CCC(N)C1CC1NC;CSSQJHJPQVENGD-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210503;MM210503;CNC1CC1C(N)CN;GFQNAHBWZXSZLY-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210504;MM210504;CNC1CC1C(N)CO;CNGZXZWMPBXIRX-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210505;MM210505;CNC1CC1C(N)CF;YEYGIQXLWJNUEV-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210506;MM210506;CNC1CC1C(O)CN;PVNHQDOAHLTKKX-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210507;MM210507;CNC1CC1C(O)CO;DZZDYFHVOVNMNS-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210508;MM210508;CNC1CC1C(O)CF;PJIOJSNFVWUDPO-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210509;MM210509;CCC(F)C1CC1NC;JDXAGMJWSUUKCO-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210510;MM210510;CNC1CC1C(F)CN;GJWDAFDMLKVNOW-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210511;MM210511;CNC1CC1C(F)CO;ZTZRGBTWIIKODW-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210512;MM210512;CNC1CC1C(C)OC;HTQJXJFEOWDGOY-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210513;MM210513;CCC(C)C1CC1OC;VWJAVERWZPHWIB-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210514;MM210514;COC1CC1C(C)CN;DOOYGWIDGKLBMV-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210515;MM210515;COC1CC1C(C)CF;COPPWBCQROUYJB-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210516;MM210516;CCC(N)C1CC1OC;XZKPHBQBBAPSHH-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210517;MM210517;COC1CC1C(N)CN;WLKGDPRSWMZGFS-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210518;MM210518;COC1CC1C(N)CO;YTDPJYDFBGJLPF-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210519;MM210519;COC1CC1C(N)CF;SCEBCBHJZIEBIS-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210520;MM210520;CCC(F)C1CC1OC;SOYCIVVXODIEMK-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210521;MM210521;COC1CC1C(F)CN;XNTYPRBZCAXBIN-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210522;MM210522;COC(C)C1CC1OC;QPJXHOQQAIKZAC-UHFFFAOYSA-N;130.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210523;MM210523;CCC1CC1N(C)CC;WWOOYPMHYVEZHN-UHFFFAOYSA-N;127.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210524;MM210524;CCN(C)C1CC1CN;ADYHLEMYIYPWKO-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210525;MM210525;CCN(C)C1CC1CO;YDGZMXSHZPTRAN-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210526;MM210526;CCN(C)C1CC1CF;RZNXXLMWAADPTI-UHFFFAOYSA-N;131.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210527;MM210527;CCN(C)C1CC1NC;SCYRUTUJTKEAOD-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210528;MM210528;CCN(C)C1CC1OC;LWPKVFSPUWFSIS-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210529;MM210529;CCC1NC1C(C)CN;VFXMSGRGWIZWCT-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210530;MM210530;CCC(C)C1NC1CN;BAMVQRLEOOYUME-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210531;MM210531;CC(CN)C1NC1CN;AUJLGVUDQRLLDQ-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210532;MM210532;CC(CO)C1NC1CN;NOSDNYRCTNEUJV-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210533;MM210533;CC(CN)C1NC1CO;JUHDLXYQIIZAHH-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210534;MM210534;CC(CN)C1NC1CF;CKZNCGVLTKSECE-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210535;MM210535;CON=C(C)C(CO)=NN;CSLGVVWSDUURQS-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210536;MM210536;CCC(N)C1NC1CC;QUFGSAKYKPZMTE-UHFFFAOYSA-N;128.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210537;MM210537;CCC1NC1C(N)CN;ZMHBLZIJHKZKQW-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210538;MM210538;CCC1NC1C(N)CO;HUTHYOXCGYNFNX-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210539;MM210539;CCC(N)C1NC1CN;DTLFSNDLYKPEGF-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210540;MM210540;NCC(N)C1NC1CN;OSBTUWOYBAGXNZ-UHFFFAOYSA-N;130.2;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210541;MM210541;NCC1NC1C(N)CO;LUTNMEWDEITZDN-UHFFFAOYSA-N;131.18;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210542;MM210542;NCC1NC1C(N)CF;HKKWWSHTAKKOAP-UHFFFAOYSA-N;133.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210543;MM210543;CCC(N)C1NC1CO;NURGFPNFVWEDJS-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210544;MM210544;NCC(N)C1NC1CO;HOMGIVWYKREMSP-UHFFFAOYSA-N;131.18;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210545;MM210545;NC(CO)C1NC1CO;JVMWZEXUMOFJSY-UHFFFAOYSA-N;132.16;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210546;MM210546;CCC(N)C1NC1CF;PVINTMNMOAFMPP-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210547;MM210547;NCC(N)C1NC1CF;QJSUFSUHMLHFRJ-UHFFFAOYSA-N;133.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210548;MM210548;NC(CO)C1NC1CF;QCERZQRVJDVBJU-UHFFFAOYSA-N;134.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210549;MM210549;CCC1NC1C(O)CN;DCMGUZLVWPULOB-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210550;MM210550;CCC(O)C1NC1CN;UDNJCTRGACTKNW-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210551;MM210551;NCC(O)C1NC1CN;VAHKBZWRNBXUBK-UHFFFAOYSA-N;131.18;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210552;MM210552;NCC1NC1C(O)CF;CPPZHLRGLMQIPR-UHFFFAOYSA-N;134.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210553;MM210553;Nn1nc(CO)cnc1=O;DFBDIAGVXVMHPQ-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210554;MM210554;C=CC1=CC(=NN)CC1O;DSMXYUIKSBOOFG-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210555;MM210555;NCC(O)C1NC1CF;CTJMIOCHRZRXSG-UHFFFAOYSA-N;134.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210556;MM210556;CC(=C(C#N)CO)C1CN1;HODZCHGSMRSGHI-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210557;MM210557;C=CC1=NN=C(CO)CN1;BXJNEGKHOVEXJY-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210558;MM210558;CCC1NC1C(F)CF;BDEHPDBRWMTUJD-UHFFFAOYSA-N;135.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210559;MM210559;NCC(F)C1NC1CN;ZENSUESEWNGXOM-UHFFFAOYSA-N;133.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210560;MM210560;NCC1NC1C(F)CO;QYBFHPAAZDPSNA-UHFFFAOYSA-N;134.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210561;MM210561;C=Cc1ncc(CO)cn1;NLDHAHPKFYVXIA-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210562;MM210562;NCC(F)C1NC1CF;RPCUSCHLVCAABX-UHFFFAOYSA-N;136.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210563;MM210563;Nc1ccc(C=O)[nH]1;KJVGAHIZFZNPFB-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210564;MM210564;FCC(F)C1NC1CF;JOHUDKMIGOYMBG-UHFFFAOYSA-N;139.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210565;MM210565;CCC1NC1C(C)NC;QNZLGOSCYQFTBY-UHFFFAOYSA-N;128.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210566;MM210566;CNC(C)C1NC1CN;WODMAOYVVVSOPV-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210567;MM210567;CNC(C)C1NC1CO;OHJPRAWRQFHDPT-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210568;MM210568;CNC(C)C1NC1CF;GXTUHLCLLJMRIE-UHFFFAOYSA-N;132.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210569;MM210569;CCC(C)C1OC1CC;QKXARZHSQLNJHN-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210570;MM210570;CCC1OC1C(C)CN;LBEMNDSZOBRQJE-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210571;MM210571;CCC1OC1C(C)CO;JADZUTJBKMOBGN-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210572;MM210572;CCC(C)C1OC1CN;XPJJWGMMMUXSMV-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210573;MM210573;CC(CN)C1OC1CN;YNWWXLDMMACBRD-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210574;MM210574;CC(CO)C1OC1CN;DSFWFFIEZLQODY-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210575;MM210575;CC(CF)C1OC1CN;OQQKEUNHJFITSX-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210576;MM210576;CC(CN)C1OC1CO;VAHKDRUZAPOCQG-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210577;MM210577;CC(CF)C1OC1CO;JJPWAUQHYZDVTI-UHFFFAOYSA-N;134.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210578;MM210578;CCC(C)C1OC1CF;CHTPQPFKACHUFI-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210579;MM210579;CC(CN)C1OC1CF;LMSXDBPHCFACFX-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210580;MM210580;CC(CO)C1OC1CF;JDIIQBPEGRJOQU-UHFFFAOYSA-N;134.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210581;MM210581;CCC(N)C1OC1CC;JAVXMLACMHJBPQ-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210582;MM210582;CCC1OC1C(N)CN;DNINYVFIJHJPLA-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210583;MM210583;CCC1OC1C(N)CO;WLFKTARIMWUCLN-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210584;MM210584;CCC1OC1C(N)CF;DOZJPEZTCFGMMP-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210585;MM210585;CCC(N)C1OC1CN;VOFPYOHDEBKJIJ-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210586;MM210586;NCC(N)C1OC1CN;PDQHTBILRIGJHB-UHFFFAOYSA-N;131.18;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210587;MM210587;NCC1OC1C(N)CO;XJBZBDLVIWIJQZ-UHFFFAOYSA-N;132.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210588;MM210588;CCC(N)C1OC1CO;OMHQBEQBQUHDNN-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210589;MM210589;NCC(N)C1OC1CO;QDTQIBFDCQVJDZ-UHFFFAOYSA-N;132.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210590;MM210590;CCC(N)C1OC1CF;NRDQSVAIRZFDPG-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210591;MM210591;CCC(O)C1OC1CC;OKZHVOCRBYRMDG-UHFFFAOYSA-N;130.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210592;MM210592;CCC(O)C1OC1CN;ZDTLZIUGOSDFMV-UHFFFAOYSA-N;131.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210593;MM210593;NCC(O)C1OC1CN;PIKCHNHNMHPSKA-UHFFFAOYSA-N;132.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210594;MM210594;CCC(O)C1OC1CO;HXYWUDFRRUAWCE-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210595;MM210595;NCC(O)C1OC1CO;OGPRAXVBACQSCM-UHFFFAOYSA-N;133.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210596;MM210596;CCC(O)C1OC1CF;POBFBZMPZGOUCR-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210597;MM210597;CCC(F)C1OC1CC;ZOJFJQBAQHTTOR-UHFFFAOYSA-N;132.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210598;MM210598;CCC1OC1C(F)CN;LAHFLPUZUXGBBJ-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210599;MM210599;CCC1OC1C(F)CO;JUPDDSUBERLWBX-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210600;MM210600;CCC(F)C1OC1CN;UASKMOZFDSMDRK-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210601;MM210601;NCC(F)C1OC1CN;FTOVBNFZSKHPRR-UHFFFAOYSA-N;134.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210602;MM210602;CCC(F)C1OC1CO;KSNXMXFVNOGVQD-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210603;MM210603;NCC(F)C1OC1CO;XAABSJUWYTWXFE-UHFFFAOYSA-N;135.14;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210604;MM210604;NCC(F)C1OC1CF;LALQTZUGSCBFCO-UHFFFAOYSA-N;137.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210605;MM210605;CCC1OC1C(C)NC;OIXRJGMMBKJIPM-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210606;MM210606;CNC(C)C1OC1CN;CCYTYXNLGKKWJK-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210607;MM210607;CNC(C)C1OC1CO;DDERUOYQKCKUBK-UHFFFAOYSA-N;131.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210608;MM210608;CNC(C)C1OC1CF;QGXVCIRJTYZTIR-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210609;MM210609;COC(C)C1OC1CN;IQQNQRCWHXBWTE-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210610;MM210610;COC(C)C1OC1CO;DMBULPMISNICQU-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210611;MM210611;COC(C)C1OC1CF;JPLKBTWGWKACGD-UHFFFAOYSA-N;134.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210612;MM210612;CCN1CC1C(C)CN;VHVQXCACHPHXTD-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210613;MM210613;CCC(N)C1CN1CC;BQGDQNZZSWFQPX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210614;MM210614;CCN1CC1C(N)CN;HAFVJKUZJVMJFE-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210615;MM210615;CCN1CC1C(N)CO;NRCIAMHACMVFLD-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210616;MM210616;CCN1CC1C(O)CN;GXONXQLKOYYQQV-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210617;MM210617;C#CC1NC(C)C1=O;PAMAVWPRKZZELI-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210618;MM210618;CC1(CO)NC1(C)CO;UHMGJWIMTQUDSU-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210619;MM210619;CCC(F)C1CN1CC;RAGSHSFMHKPTJA-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210620;MM210620;CCN1CC1C(F)CN;GHHFDFTTYZZSMG-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210621;MM210621;CON=C(CO)CCO;ZATTXTKDBUKIBT-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210622;MM210622;CCN1CC1C(C)NC;YNVDUPOAKJVDTD-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210623;MM210623;CCC1CN1C(C)CN;CWUDLLJLORKVRK-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210624;MM210624;CCC1CN1C(C)CF;WPMFLIYYBSBAMF-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210625;MM210625;CCC(C)N1CC1CN;CNOQHBPCPBFXEO-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210626;MM210626;CC(CN)N1CC1CN;TXLFNWFERKDWNB-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210627;MM210627;CC(CO)N1CC1CN;ZEMVXQWQCGKUIC-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210628;MM210628;CC(CF)N1CC1CN;GVEOHAXQWRXGDH-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210629;MM210629;CC(CN)N1CC1CO;RZNJJJTZDDXGDS-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210630;MM210630;C=NOC(CC)C(C)O;UDONDCXDSNWULX-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210631;MM210631;C=CC(C)C1CC1CC;XWZHDHFMZMWOHE-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210632;MM210632;CCC1CC1C(C)C=O;QEQXKINQJANZLU-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210633;MM210633;CCC1CC1C(C)C#N;NZYNDYNMCKKVCO-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210634;MM210634;C=CC(C)C1CC1CN;ZDWUDXDYBLAWLM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210635;MM210635;C=NOC(CO)C(C)=O;KPILTFGLVGZNFL-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210636;MM210636;CCN=C1CN(N)C=N1;MNJLWRIXHLLIAJ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210637;MM210637;CC(C#N)C1CC1CO;MGYUJSDRKYQHGR-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210638;MM210638;C=CC(C)C1CC1CF;IYEUXCJSJIDAPF-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210639;MM210639;CC(C#N)C1CC1CF;LYWIZTZFXIAHII-UHFFFAOYSA-N;127.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210640;MM210640;C=CC(N)C1CC1CC;KQIQRNBLONGCST-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210641;MM210641;C=CC(N)C1CC1CN;JZRJKCLCIFKWRE-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210642;MM210642;C=CC(N)C1CC1CO;VFTYRVAAKVGIDV-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210643;MM210643;C=CC(N)C1CC1CF;RFAMXLATLRHLJI-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210644;MM210644;CC1=C(C)C(=NN)OC1;QQRNHRUVXQTDTF-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210645;MM210645;CCC1CC1C(O)C=O;LGECCBGRSOXTRQ-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210646;MM210646;CCC1CC1C(O)C#N;KNZABYNYTTWERP-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210647;MM210647;C=CC(O)C1CC1CN;NAVXPWGMIAUELB-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210648;MM210648;C=CC(O)C1CC1CO;MOLQHLBISPMWKA-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210649;MM210649;O=CC(O)C1CC1CO;QBLKXHKUJDWEHU-UHFFFAOYSA-N;130.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210650;MM210650;N#CC(O)C1CC1CO;MYJVQUFJNVLDGR-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210651;MM210651;C=CC(O)C1CC1CF;NDAMMADKXWFQPC-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210652;MM210652;O=CC(O)C1CC1CF;FEILXGMXVDCNTF-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210653;MM210653;N#CC(O)C1CC1CF;UCPAAANZVLBABL-UHFFFAOYSA-N;129.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210654;MM210654;C=CC(F)C1CC1CC;XPQXGQXHDZSWQP-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210655;MM210655;CCC1CC1C(F)C=O;GNVJQEDERQYPKX-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210656;MM210656;CCC1CC1C(F)C#N;SZFPHIIBSCNCEP-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210657;MM210657;N#CC(F)C1CC1CO;UHTZJSRZLOGQHC-UHFFFAOYSA-N;129.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210658;MM210658;C=CC(F)C1CC1CF;UMOQZUHPMWJSQF-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210659;MM210659;O=CC(F)C1CC1CF;SIEWPIDTIJKJRQ-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210660;MM210660;N#CC(F)C1CC1CF;SKTMQURDHGMXBV-UHFFFAOYSA-N;131.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210661;MM210661;C=CC(C)C1CC1NC;NZULWPNQYBDUEH-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210662;MM210662;CNC1CC1C(C)C=O;NAIMQBMIWNOYOC-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210663;MM210663;CNC1CC1C(C)C#N;WWGWSJQXOODYAD-UHFFFAOYSA-N;124.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210664;MM210664;C=CC(N)C1CC1NC;IKQYKOPIAQSWSN-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210665;MM210665;C=CC(O)C1CC1NC;JJEZGOXJEZKTCJ-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210666;MM210666;CNC1CC1C(O)C=O;FAUIJGNHHRAYQG-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210667;MM210667;CNC1CC1C(O)C#N;SVRLJCVQZWNCEI-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210668;MM210668;CNC1CC1C(F)C#N;IAKAKKPWLGMHDM-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210669;MM210669;C=CC(C)C1CC1OC;VATABWIQFHIFFZ-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210670;MM210670;COC1CC1C(C)C=O;XIQBTLJQIMSLIZ-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210671;MM210671;COC1CC1C(C)C#N;YGQSMNXWEIPVNI-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210672;MM210672;C=CC(N)C1CC1OC;GLMZWOYDKDFFRR-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210673;MM210673;COC1CC1C(O)C#N;YJQRBRWUCLGYDS-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210674;MM210674;CCC1CC1N(C)C=N;XCWMLDJGKMASNR-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210675;MM210675;CCC1CC1N(C)C=O;DAXCMKFYXDSZPH-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210676;MM210676;CN(C=N)C1CC1CN;BWHUGMZNGVLYDY-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210677;MM210677;CN(C=O)C1CC1CN;YXWMUPCZANQKLI-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210678;MM210678;CN(C=N)C1CC1CO;FLDTVFYFGFEPHG-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210679;MM210679;CN(C=O)C1CC1CO;TXMFCRDAIHYWRC-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210680;MM210680;CCC1CC1N(N)C=N;DOHLOUPDEPDNJN-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210681;MM210681;CCC1CC1N(N)C=O;HXTVBEFOYLUNBG-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210682;MM210682;N=CN(N)C1CC1CO;WWZRCWOXJSTNGM-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210683;MM210683;Cc1[nH]cc(N=O)c1C;LCBSKGYXNAWYQZ-UHFFFAOYSA-N;124.14;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210684;MM210684;N=CN(O)C1CC1CN;TYEPBHSGRQFYKG-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210685;MM210685;C=NN(C)C1CC1CC;BVVBXAXWERXHJV-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210686;MM210686;C=NN(C)C1CC1CN;MXNBUAPGDJPZOK-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210687;MM210687;CNC1CC1N(C)C=N;TZPQIJQZDGUYSB-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210688;MM210688;CNC1CC1N(C)C=O;FYIYJRYJWFAIHZ-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210689;MM210689;CNC1CC1N(N)C=N;KBUNCDNXXGRVNU-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210690;MM210690;C=NN(C)C1CC1NC;PDAJFIBNBXKETG-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210691;MM210691;COC1CC1N(C)C=O;IWIXHVSTJDELDA-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210692;MM210692;COC1CC1N(N)C=N;WGNNFEXJYRDCDW-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210693;MM210693;CCC1NC1C(C)C#N;SCBJSMSZWLYPKD-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210694;MM210694;C=CC(C)C1NC1CN;KDHPKQNPIZVFPH-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210695;MM210695;NN=C(NO)OCCO;MZQXBWTURLGBPT-UHFFFAOYSA-N;135.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210696;MM210696;C=CC(C)C1NC1CF;CVTFCSVHXCUIAG-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210697;MM210697;C=CC(N)C1NC1CC;RUOLOPYKWRDAOT-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210698;MM210698;C=CC(N)C1NC1CN;YBIMPSSGFVKSCT-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210699;MM210699;C=CC(N)C1NC1CO;OAOQGOVRMVXOBN-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210700;MM210700;C=CC(N)C1NC1CF;JLOZWCIZRGEURT-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210701;MM210701;CON=CC(CO)=NN;YAQBXHOLDHBUNT-UHFFFAOYSA-N;131.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210702;MM210702;C=NN1C=NC(=NC)C1;ZECKNPZQTGEODH-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210703;MM210703;C=CC(F)C1NC1CC;REVLTVZYEGHNRU-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210704;MM210704;CCC1NC1C(F)C#N;VMCXFFULPGRELR-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210705;MM210705;C=CC(F)C1NC1CN;CAXQXKFWMCRECB-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210706;MM210706;C=CC(C)C1OC1CC;MEANQZYMEASANY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210707;MM210707;CCC1OC1C(C)C=O;FLKPFJPBDJOOKO-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210708;MM210708;CCC1OC1C(C)C#N;GZGUWDOCYVTIFY-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210709;MM210709;C=CC(C)C1OC1CN;YYNBQYGHRAMSAH-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210710;MM210710;C=CC(C)C1OC1CO;JRSDBVIMNZWFGA-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210711;MM210711;CC(C#N)C1OC1CO;FMDXTZWDQHGPFG-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210712;MM210712;C=CC(N)C1OC1CC;BVVYDDHVERJNSK-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210713;MM210713;C=CC(N)C1OC1CO;NPAHCESEVJPPKX-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210714;MM210714;C=CC(O)C1OC1CN;CUODBDPZNDUKPE-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210715;MM210715;C=CC(O)C1OC1CO;HQZATBWKDXUVSU-UHFFFAOYSA-N;130.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210716;MM210716;C=CC(O)C1OC1CF;KFMLAUMVSYNQQH-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210717;MM210717;N#CC(O)C1OC1CF;UWEJCBAUIVDLRW-UHFFFAOYSA-N;131.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210718;MM210718;C=CC(F)C1OC1CC;KPRLOUGLDNVUMK-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210719;MM210719;O=CC(F)C1OC1CO;GEBTYCIEKBFHPF-UHFFFAOYSA-N;134.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210720;MM210720;N#CC(F)C1OC1CO;KRDLVBVDPFHLAY-UHFFFAOYSA-N;131.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210721;MM210721;C#CC#Cc1cn[nH]c1;QMVMWBVOUAUUIU-UHFFFAOYSA-N;116.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210722;MM210722;CCN1CC1C(C)C#N;LTXTXMOAYQAHTJ-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210723;MM210723;C=CC(N)C1CN1CC;JGYBYQXCRKWPGA-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210724;MM210724;N=C(NC=CF)OC(N)=O;BDSZQHJBFWKPCT-UHFFFAOYSA-N;147.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210725;MM210725;CC(F)C(CO)=NN(C)C;NGEQHFAUEBECOT-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210726;MM210726;C=CC(F)C1CN1CC;CRTUPECXKNHRRN-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210727;MM210727;C=C(C=NN)C(O)CCO;VJHAKZROFHGYCR-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210728;MM210728;CCN1CC1C(F)C#N;ZNFYWXIRKQKFOS-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210729;MM210729;CCNC(=O)N(N)C(N)=O;CDMFWTMTLWFBMA-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210730;MM210730;CCC1CN1C(C)C#N;GKZXCJKAFRQMIY-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210731;MM210731;C=CC(C)N1CC1CN;FPRZSELAZTYWQY-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210732;MM210732;C=NNC(C=O)(C=O)CO;PAAMURDVFAOWPT-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210733;MM210733;COC(=NCC(C)O)NO;SGRINMLUJQEFHJ-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210734;MM210734;CNN=C(NO)OCCO;LPKRSAQHZTWQIO-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210735;MM210735;C=CC(C)N1CC1CF;WSNMTPDNOSZULR-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210736;MM210736;CCC1CN1N(C)C=N;NEWRLQVNIMMYLX-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210737;MM210737;CCC1CN1N(C)C=O;NVDGWLNNNSMJGR-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210738;MM210738;CN(C=N)N1CC1CN;FLHONBVICNFAGW-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210739;MM210739;CN(C=O)N1CC1CN;MWIZKQLVTNWGAH-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210740;MM210740;CN(C=N)N1CC1CO;QIAJEXLTFRUYSO-UHFFFAOYSA-N;129.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210741;MM210741;CN(C=O)N1CC1CO;YAWNHTFYHJXOKL-UHFFFAOYSA-N;130.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210742;MM210742;CN(C=O)N1CC1CF;DYJVXJGLVOLQOX-UHFFFAOYSA-N;132.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210743;MM210743;C#CC(C)C1CC1CC;ZUXCBOJOWHUHDY-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210744;MM210744;C#CC(C)C1CC1CN;MMAHEHKZIZCTAS-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210745;MM210745;C=NNC=C(CO)N=NC;ZRWSOLOZKYZVLW-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210746;MM210746;C#CC(C)C1CC1CF;HWUVZIUSAFIQMX-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210747;MM210747;C#CC(N)C1CC1CC;WMMOEHMMLCRLSP-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210748;MM210748;C#CC(N)C1CC1CN;GEKLTGCALVWNKO-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210749;MM210749;C#CC(N)C1CC1CO;TUNHOTRKSGSPDL-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210750;MM210750;C#CC(O)C1CC1CC;TUBXZHGDHGORFT-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210751;MM210751;C#CC(O)C1CC1CN;MMNOXAURCKNPEL-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210752;MM210752;C#CC(O)C1CC1CO;MYSMVMUMXZBVDL-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210753;MM210753;C#CC(F)C1CC1CN;LYNSBVCETUKROS-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210754;MM210754;C#CC(F)C1CC1CF;NAUNOZRRLDACHA-UHFFFAOYSA-N;130.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210755;MM210755;C#CC(C)C1CC1NC;HGZFGNPKWOUWSR-UHFFFAOYSA-N;123.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210756;MM210756;C#CC(N)C1CC1NC;IJLHYDYKPYEGFU-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210757;MM210757;C#CC(O)C1CC1NC;PVXZKDFLAXLXDB-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210758;MM210758;C#CC(C)C1CC1OC;CJTVZKSWMQBALX-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210759;MM210759;C#CC(N)C1CC1OC;PMSWEHJWVCCPIM-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210760;MM210760;C#CC(O)C1CC1OC;NDAJXRZTCVTNCT-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210761;MM210761;C#CC(F)C1CC1OC;IKZJUSARQQCEDQ-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210762;MM210762;C#CC(C)C1NC1CN;HVCBSRBUGKDHAP-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210763;MM210763;C#CC(N)C1NC1CC;BSSHTJPWKCFSSL-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210764;MM210764;C#CC(N)C1NC1CN;XIIRZQHVPDUTIX-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210765;MM210765;C#CC(O)C1NC1CN;FBMZEBHSIWWTAE-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210766;MM210766;C#CC(F)C1NC1CC;ZAOMDNRXLKTZSO-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210767;MM210767;C#CC(F)C1NC1CN;SEMPWEOBMZMREM-UHFFFAOYSA-N;128.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210768;MM210768;C#CC(F)C1NC1CF;OMTWWSIBNSQLSU-UHFFFAOYSA-N;131.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210769;MM210769;C#CC(C)C1OC1CC;ZDSDOQJMXZLFBV-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210770;MM210770;C#CC(C)C1OC1CN;KEWFBWRQAJLGFH-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210771;MM210771;C#CC(C)C1OC1CO;KXSGYSSEAJYXDY-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210772;MM210772;C#CC(C)C1OC1CF;OFRBFXNAZGVWQS-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210773;MM210773;C#CC(N)C1OC1CC;MCKCJRNJZCIZMS-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210774;MM210774;C#CC(N)C1OC1CN;RKOHYWLACQOTPP-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210775;MM210775;C#CC(F)C1OC1CO;FOCJZTBAZFHYDN-UHFFFAOYSA-N;130.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210776;MM210776;CCN(O)C(=NN)C(N)=O;CFXYIAVZUNHOKE-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210777;MM210777;C#CC(F)C1CN1CC;DJXGIBPEBYGGDC-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210778;MM210778;C#CC(C)N1CC1CC;HZJFVJLXZUNHRO-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210779;MM210779;C#CC(C)N1CC1CN;JSTMWEOZJNKFCE-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210780;MM210780;C=NN(C=NC=O)C(N)=O;NIYRLIPMDIDMRP-UHFFFAOYSA-N;142.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210781;MM210781;C=CC1CC1C(C)CC;HHLHFTHQXCPCPP-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210782;MM210782;C=CC1CC1C(C)CN;HHFQEQNSGXMJBZ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210783;MM210783;N=CN(N=CC=O)C(N)=O;BTAOHCQXMOPAGA-UHFFFAOYSA-N;142.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210784;MM210784;C=CC1CC1C(C)CF;JBIZHLRAYATLEJ-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210785;MM210785;CCC(C)C1CC1C=O;GQRLKXVGUSVAJO-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210786;MM210786;CCC(C)C1CC1C#N;KZSCNBIFDHRQFP-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210787;MM210787;CC(C)C(CO)=NOC=O;QHYSLDXDUIZDAM-UHFFFAOYSA-N;145.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210788;MM210788;CC(CF)C1CC1C=O;GTHDEKSHXZFOMQ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210789;MM210789;CC(CF)C1CC1C#N;IOLNLXJKURNLJE-UHFFFAOYSA-N;127.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210790;MM210790;C=CC1CC1C(N)CC;GPLQDLMYBBRTPR-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210791;MM210791;C=CC1CC1C(N)CN;ACLHBMVVFIIMSR-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210792;MM210792;C=CC1CC1C(N)CO;WTXUDADXGLACTQ-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210793;MM210793;C=CC1CC1C(N)CF;VIFGBQGCIRMHMD-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210794;MM210794;C=CC=NNC(C#N)C=O;UMMQGPFMZDMRHA-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210795;MM210795;C=CC1CC1C(O)CN;CRAFIPNFQHCUHB-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210796;MM210796;C=CC1CC1C(O)CO;PGBOMDJDMISJDR-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210797;MM210797;C=CC1CC1C(O)CF;LEMDEIRARVISDC-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210798;MM210798;CCC(O)C1CC1C=O;ZSOSJYVAZJSEKJ-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210799;MM210799;CCC(O)C1CC1C#N;KUNRNTXUJXPITQ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210800;MM210800;N#CC1CC1C(O)CO;YQGAKURIJODDSL-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210801;MM210801;O=CC1CC1C(O)CF;MCTVYZMTDHQSRT-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210802;MM210802;N#CC1CC1C(O)CF;KCQBSTXCTMIEGW-UHFFFAOYSA-N;129.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210803;MM210803;C=CC1CC1C(F)CC;HBZNGUKYSXJLSA-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210804;MM210804;C=CC1CC1C(F)CN;BWZSZSKNUKRUPP-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210805;MM210805;C=CC1CC1C(F)CO;NEQPHWUZWYGYMT-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210806;MM210806;C=CC1CC1C(F)CF;HBAQKRCWHFYQSE-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210807;MM210807;CCC(F)C1CC1C#N;UFRROPNQFRDXDR-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210808;MM210808;O=CC1CC1C(F)CO;LQNWWBJVLUQYHW-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210809;MM210809;N#CC1CC1C(F)CO;HCTYENDYCHIZDA-UHFFFAOYSA-N;129.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210810;MM210810;O=CC1CC1C(F)CF;GAVBEDGHQUTCMP-UHFFFAOYSA-N;134.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210811;MM210811;N#CC1CC1C(F)CF;WIEYURQXABPIPD-UHFFFAOYSA-N;131.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210812;MM210812;C=CC1CC1C(C)NC;NUCUMXXMPLZQIO-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210813;MM210813;CNC(C)C1CC1C=O;MUFAWQQXKFPXCR-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210814;MM210814;C=CC1CC1C(C)OC;SGMJJIAAFKCLFS-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210815;MM210815;COC(C)C1CC1C#N;XJTCGCWRFRSAPI-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210816;MM210816;C=CC1CC1N(C)CC;XXJCIVZXGZLABS-UHFFFAOYSA-N;125.22;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210817;MM210817;CCN(C)C1CC1C=O;ZYAUYCSWHYXGBM-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210818;MM210818;C=CC1NC1C(C)CN;LVCFWWSJAUDTNM-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210819;MM210819;CCON=CC(CO)=NN;OITLZDZTWDMVKM-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210820;MM210820;CCC(C)C1NC1C#N;VBIYDTRHMHNVDD-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210821;MM210821;C=NNCC=C(CO)OC;KAJJAMGXHKLMQL-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210822;MM210822;O=CCNN=C(CO)CF;IGIVXKOVUFZCJS-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210823;MM210823;CC(CF)C1NC1C#N;XOGLZOYOBNDJNA-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210824;MM210824;C=CC1NC1C(N)CC;WYVFUBZXTULBGW-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210825;MM210825;C=CC1NC1C(N)CN;QNEPVQATLOSJQM-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210826;MM210826;C=CC1NC1C(N)CO;CUEMBAYAECJCLW-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210827;MM210827;N#CCNN=C(CO)CF;DIMHXKWVRNAGII-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210828;MM210828;C=CC1NC1C(O)CN;HVJWXEVQIKVYKF-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210829;MM210829;C#CCNN=C(CO)CF;CLXVPVNBMAZEBU-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210830;MM210830;C=NOCC=C(C#N)CO;XPFLFWRZQSPVBO-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210831;MM210831;C=NOC(C)C(CO)=NN;ZSFMBNOVDMIDQH-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210832;MM210832;CN=C(C=O)N(O)CC=O;CCQKDOABUNPZMW-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210833;MM210833;COC(=CC1CN1C)CO;BNUIGBAHLJRZLT-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210834;MM210834;CC1CN1N=C(CO)CF;ZRSRIIRMIQGCNB-UHFFFAOYSA-N;146.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210835;MM210835;N=c1cc(CO)nnn1N;LVRWPSBLNMVWJI-UHFFFAOYSA-N;141.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210836;MM210836;C=CC1NC1C(F)CC;VBPCLOWSKCNFTH-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210837;MM210837;C=CC1NC1C(F)CN;NGVSCSPRWGYQGE-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210838;MM210838;CCC(F)C1NC1C#N;RPEHZKNTBFSUFE-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210839;MM210839;N#CC1NC1C(F)CF;VXGSURSBOQYTEI-UHFFFAOYSA-N;132.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210840;MM210840;C=CC1NC1C(C)NC;SEZFVUWYWSBQAK-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210841;MM210841;CNC(C)C1NC1C=O;TZEQRKBVYNOGON-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210842;MM210842;C=CC1NC1C(C)OC;VPNHASSGHRTQEP-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210843;MM210843;COC(C)C1NC1C#N;CWSYSHPOHSXRRO-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210844;MM210844;C=CC1OC1C(C)CC;OPJOAZUAZHKFEG-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210845;MM210845;C=CC1OC1C(C)CN;WLDBHKBFVXEWRV-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210846;MM210846;C=CC1OC1C(C)CO;LOLNAEISDGWEAZ-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210847;MM210847;C=CC1OC1C(C)CF;KLYVJUSUFBCQCD-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210848;MM210848;CCC(C)C1OC1C=O;UDFXMDWPXUKGDQ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210849;MM210849;CCC(C)C1OC1C#N;IECAOCWDTWHQBZ-UHFFFAOYSA-N;125.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210850;MM210850;CC(CO)C1OC1C=O;ZXKGMVCMTCSLCF-UHFFFAOYSA-N;130.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210851;MM210851;CC(CO)C1OC1C#N;CHPXGOAYATUMDF-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210852;MM210852;CC(CF)C1OC1C#N;WOUZDEPEJLPIFH-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210853;MM210853;C=CC1OC1C(N)CC;WIPIDXIVKYVAEW-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210854;MM210854;C=CC1OC1C(N)CN;PJJGZBJRSYBPRP-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210855;MM210855;C=CC1OC1C(N)CO;GJECHQKNTDYKEB-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210856;MM210856;C=CC1OC1C(N)CF;OBJPSOSQYXBNRX-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210857;MM210857;C=CC1OC1C(O)CC;DKABOWICBKSAJK-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210858;MM210858;C=CC1OC1C(O)CN;PKWGGDLXUGAZNC-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210859;MM210859;C=CC1OC1C(O)CO;BJRAQQUOFIIGDL-UHFFFAOYSA-N;130.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210860;MM210860;CCC(O)C1OC1C=O;QTDMIVUQXWQQDS-UHFFFAOYSA-N;130.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210861;MM210861;C=CC1OC1C(F)CC;XHDNEPBFNSRVGP-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210862;MM210862;C=CC1OC1C(F)CN;WVRWNFDTBNCTEV-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210863;MM210863;C=CC1OC1C(F)CO;NMDRJORWPUMXIX-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210864;MM210864;C=CC1OC1C(F)CF;RZVXPVGUFFJGGV-UHFFFAOYSA-N;134.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210865;MM210865;CCC(F)C1OC1C=O;SLZVXXFIUJTWEU-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210866;MM210866;CCC(F)C1OC1C#N;FCGXXDTZKYDQJS-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210867;MM210867;O=CC1OC1C(F)CO;HJEYQNLSHABIBP-UHFFFAOYSA-N;134.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210868;MM210868;C=CC1OC1C(C)NC;AJAMGMORGYZBKK-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210869;MM210869;CNC(C)C1OC1C=O;NJQZKQJOJUCBCB-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210870;MM210870;C=CC1OC1C(C)OC;ACFZUQHXHRGZNX-UHFFFAOYSA-N;128.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210871;MM210871;CCC(C)C1CN1C=N;ZEYIGWRRDIXGRZ-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210872;MM210872;CC(CN)C1CN1C=N;VOEICZCWVANODE-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210873;MM210873;CC(CF)C1CN1C=N;QHMQZAQJBCKNJV-UHFFFAOYSA-N;130.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210874;MM210874;CCC(C)C1CN1C=O;BPBYIOGMXAMYEH-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210875;MM210875;CC(CN)C1CN1C=O;NQCBZNHNWDWCRE-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210876;MM210876;CC(CF)C1CN1C=O;IMSIQNDJROJOSX-UHFFFAOYSA-N;131.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210877;MM210877;CCC(N)C1CN1C=N;GOZWWOBWDVXLRS-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210878;MM210878;N=CN1CC1C(N)CN;FDOHUKCRAWHVLF-UHFFFAOYSA-N;128.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210879;MM210879;N=CN1CC1C(N)CO;PDWIPHIKYVDBPC-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210880;MM210880;N=CN1CC1C(N)CF;RGZFOMXMPHDRJR-UHFFFAOYSA-N;131.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210881;MM210881;CCC(N)C1CN1C=O;QVNMUCFSNFCFCH-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210882;MM210882;NCC(N)C1CN1C=O;UOWTTYNOMHNOHT-UHFFFAOYSA-N;129.16;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210883;MM210883;NC(CO)C1CN1C=O;HUBIKVKSSHQMTG-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210884;MM210884;CCC(O)C1CN1C=N;CNICTUQWVMYDAH-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210885;MM210885;N=CN1CC1C(O)CN;HJBCMYSMVMIXSL-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210886;MM210886;N=CN1CC1C(O)CO;QEPHAVIQNONDSF-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210887;MM210887;N=CN1CC1C(O)CF;HMVPABUVMJRKOP-UHFFFAOYSA-N;132.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210888;MM210888;CCC(O)C1CN1C=O;WZAMIYUYLHLEAG-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210889;MM210889;NCC(O)C1CN1C=O;RLVXKFCJAHPABN-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210890;MM210890;O=CN1CC1C(O)CO;BSRJNBFGHKEHCF-UHFFFAOYSA-N;131.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210891;MM210891;O=CN1CC1C(O)CF;BAUDQRPYNXMURI-UHFFFAOYSA-N;133.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210892;MM210892;CCC(F)C1CN1C=N;RURQVXKTDISSLM-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210893;MM210893;N=CN1CC1C(F)CN;HLMJDRCLRWHYNT-UHFFFAOYSA-N;131.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210894;MM210894;N=CN1CC1C(F)CO;KZPVRXVJLNHCGW-UHFFFAOYSA-N;132.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210895;MM210895;N=CN1CC1C(F)CF;OPPUXQQVYOIEDG-UHFFFAOYSA-N;134.13;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210896;MM210896;CCC(F)C1CN1C=O;ONGYOPOCHIDAMQ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210897;MM210897;NCC(F)C1CN1C=O;ZEPFCNLZYNARKG-UHFFFAOYSA-N;132.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210898;MM210898;CNC(C)C1CN1C=N;SHFVIASWOOKILE-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210899;MM210899;CNC(C)C1CN1C=O;RLFRQEFDAIGTBE-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210900;MM210900;COC(C)C1CN1C=N;XADMRMPPDOQJFK-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210901;MM210901;COC(C)C1CN1C=O;KWFQYJDGLMWUEL-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210902;MM210902;C=NN1CC1C(C)CC;UQYNTYUCYVVSRA-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210903;MM210903;C=NN1CC1C(C)CN;VYNIEIGXVMFRKB-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210904;MM210904;C=NN1CC1C(N)CC;AQDZWVRCUKDIHS-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210905;MM210905;C=NN1CC1C(N)CN;JAESVTVTESTSGE-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210906;MM210906;C=NN1CC1C(N)CO;OCBKGDIRRXZFEW-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210907;MM210907;Nn1ncc(CO)nc1=O;UFLVIURNXMPIMX-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210908;MM210908;C=NN1CC1C(O)CN;SKDYEIDBGCCKEO-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210909;MM210909;NN=C1C=CC2(O)CC2C1;MNINPHZBVVVXHE-UHFFFAOYSA-N;138.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210910;MM210910;C=NNC1C=C(CO)OC1;LYLPXAIGLLIJHJ-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210911;MM210911;C=NN1CC1C(F)CC;SVMOJUOLWIAGKO-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210912;MM210912;C=NN1CC1C(F)CN;TUSWMVXVONSZOY-UHFFFAOYSA-N;131.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210913;MM210913;C#Cc1onc(NN)c1N;OAZYSQMJPJJJFS-UHFFFAOYSA-N;138.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210914;MM210914;C=NN1CC1C(F)CF;RFUMIVOPKMHZHW-UHFFFAOYSA-N;134.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210915;MM210915;C=NN1CC1C(C)NC;HBSDYNFVANEQML-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210916;MM210916;C=NN1CC1C(C)OC;PHOCPDUVLIIPPR-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210917;MM210917;C=CC1CN1C(C)CN;BDXFZEYDNNCICC-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210918;MM210918;CCC1OC1C(CO)=NN;ZFDCXQVEIZVUFP-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210919;MM210919;C=CC1CN1C(C)CF;UICXQHLIGSJTFN-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210920;MM210920;C#CC1OC1C(CO)=NN;AUGMGNDQUSCCCK-UHFFFAOYSA-N;140.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210921;MM210921;CCC(C)N1CC1C#N;VIUUFYBJTMAUGK-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210922;MM210922;CC#CC#Cc1cn[nH]c1;BNWAHPFMLPQHCJ-UHFFFAOYSA-N;130.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210923;MM210923;C=CC(C)C1CC1C=C;HFHHQWPTEVJCPD-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210924;MM210924;C=CC1CC1C(C)C=O;KXDLGOLJCFECHC-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210925;MM210925;C=CC1CC1C(C)C#N;AVZJOXNXOFFQDF-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210926;MM210926;C=CC(C)C1CC1C=O;YOLAHHXNUUIFGB-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210927;MM210927;C=CC(C)C1CC1C#N;QOWFIKLLTCTKGK-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210928;MM210928;CC(C=O)C1CC1C=O;YPEZFAWFTFZVMV-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210929;MM210929;CC(C#N)C1CC1C=O;RUTKZWZHEKOGSJ-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210930;MM210930;CC(C=O)C1CC1C#N;XJVKYDXFICZEHH-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210931;MM210931;CC(C#N)C1CC1C#N;XNGXDMXVEYXBMW-UHFFFAOYSA-N;120.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210932;MM210932;C=CC(N)C1CC1C=C;BIWCZKLJLKUFFE-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210933;MM210933;C=NOC(C=O)CO;QMHQVACYLGZVOU-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210934;MM210934;C=CC1CC1C(O)C=O;NERNKQIZZPYROQ-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210935;MM210935;C=CC1CC1C(O)C#N;GHDXEXVKEUTEGM-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210936;MM210936;C=CC(O)C1CC1C=O;SRJNBLYROHWSJR-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210937;MM210937;C=CC(O)C1CC1C#N;LHYDCFIBBBVSHV-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210938;MM210938;O=CC(O)C1CC1C=O;LTSMNNKQRRYDOX-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210939;MM210939;N#CC(O)C1CC1C=O;MWPZJIXPKDQHQN-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210940;MM210940;N#CC1CC1C(O)C=O;JQMMLYTZBPNBGA-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210941;MM210941;N#CC(O)C1CC1C#N;GKGNJSDYCAAYGA-UHFFFAOYSA-N;122.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210942;MM210942;C=CC(F)C1CC1C=C;VAAHKRWRUWJISR-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210943;MM210943;C=CC1CC1C(F)C=O;LEHZCBVVJGVFJQ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210944;MM210944;C=CC(F)C1CC1C=O;CSIOMCPBDUEUOH-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210945;MM210945;C=CC(F)C1CC1C#N;JNKIRRVKCUFKDS-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210946;MM210946;C=CC1CC1N(C)C=N;ZFGLOEJXUUOCPZ-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210947;MM210947;C=CC1CC1N(C)C=O;AYLLTUOAYXWNKK-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210948;MM210948;CN(C=N)C1CC1C=O;LWIXIRKMXIAKKR-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210949;MM210949;CN(C=N)C1CC1C#N;SSBBRGVTSLVFEB-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210950;MM210950;NN=CC(CO)=NN;KXEOLDNHVKZTEJ-UHFFFAOYSA-N;116.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210951;MM210951;CN(C=O)C1CC1C#N;SNRCIVLBCQFDLL-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210952;MM210952;C=CC1CC1N(N)C=N;SRZKOMSXAIEAQG-UHFFFAOYSA-N;125.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210953;MM210953;C=CC1CC1N(N)C=O;NTRJSQDRJUPIQE-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210954;MM210954;C=CC1CC1N(C)N=C;ZQLLODCNEAOKQG-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210955;MM210955;C=NN(C)C1CC1C#N;FXFHPWPTINOYIL-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210956;MM210956;C=CC1NC1C(C)C#N;CJRXSCVOHZSIKX-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210957;MM210957;N=C1N=CC(CO)=N1;ZFDCDEPICRXRAS-UHFFFAOYSA-N;111.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210958;MM210958;C=CC(C)C1NC1C#N;DWTFIUITSUBWSG-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210959;MM210959;CC1(C)CC(CO)=NO1;ROFSJMGFGWMMGQ-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210960;MM210960;CC(O)C#CCC=NN;TWIYAXHHPCPJOG-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210961;MM210961;CC=NOC(C)C(C)O;IAMDKHZYVUAXLW-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210962;MM210962;CC(C#N)C1NC1C#N;DDWPCEIKMPKWJR-UHFFFAOYSA-N;121.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210963;MM210963;C=CC(N)C1NC1C=C;UGBPISYQEWLRLD-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210964;MM210964;CNN=C(CO)COC;GUMWLZNDMNNSEN-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210965;MM210965;CN=NC(=CNN)CO;YIEXLQJWJZEDJC-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210966;MM210966;Cc1cn(O)c(N)c1C;LOQGLAFHOPHTKY-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210967;MM210967;CC=NN1C=NC(=N)C1;ASIQVTJDYIDUDW-UHFFFAOYSA-N;124.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210968;MM210968;Nn1ccc(NC=O)c1;UZQFWNMJSZWPKU-UHFFFAOYSA-N;125.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210969;MM210969;N#CC1NC1C(O)C=O;KYFIYJWYIGMPNR-UHFFFAOYSA-N;126.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210970;MM210970;N#CC(O)C1NC1C#N;HBWPISIBDLTTCY-UHFFFAOYSA-N;123.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210971;MM210971;C=CC1NC1C(F)C#N;USZVCTAQECLLLT-UHFFFAOYSA-N;126.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210972;MM210972;CC1ON=C(CO)C1C;XHAPXRXBZBVHGD-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210973;MM210973;C=CC(F)C1NC1C#N;CTGGHRQUSNKCCW-UHFFFAOYSA-N;126.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210974;MM210974;C=C1C(CO)=NOC1C;JVMABHOZGSQZGP-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210975;MM210975;C=CC(C)C1OC1C=C;LZUZAVOMYOJHQS-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210976;MM210976;C=CC1OC1C(C)C=O;ZQHOJKMCULSZGK-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210977;MM210977;C=CC1OC1C(C)C#N;GEPOYZAGFCGVLU-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210978;MM210978;C=CC(C)C1OC1C=O;UNAZCUIWULODQM-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210979;MM210979;CC(C#N)C1OC1C=O;RUGLPAJYCJCWRD-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210980;MM210980;CC(C=O)C1OC1C#N;ZFQOHJMQCXVWSU-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210981;MM210981;CC(C#N)C1OC1C#N;UKJQNONYOPTXAY-UHFFFAOYSA-N;122.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210982;MM210982;C=CC(N)C1OC1C=C;RVIAMGJACOVPPO-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210983;MM210983;C=CC(O)C1OC1C=C;KDIFEOVWEWQGIB-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210984;MM210984;C=CC1OC1C(O)C=O;HEKZRUAUIIQOPU-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210985;MM210985;C=CC1OC1C(O)C#N;AWCXWRSBGZNGDB-UHFFFAOYSA-N;125.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210986;MM210986;C=CC(O)C1OC1C=O;KEDPSIHWWBTNSU-UHFFFAOYSA-N;128.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210987;MM210987;C=CC(O)C1OC1C#N;MXWMWBUZPCODDO-UHFFFAOYSA-N;125.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210988;MM210988;N#CC(O)C1OC1C=O;WOGGSSZFDUWOKH-UHFFFAOYSA-N;127.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210989;MM210989;N#CC1OC1C(O)C=O;WRFXJXCTTUXUDA-UHFFFAOYSA-N;127.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210990;MM210990;N#CC(O)C1OC1C#N;PYTHWRSYPYEGSY-UHFFFAOYSA-N;124.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210991;MM210991;C=CC1OC1C(F)C=O;DWTLIRYZJARMCR-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210992;MM210992;C=CC1OC1C(F)C#N;ZXQXXAIAZRGBFJ-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210993;MM210993;O=CC(F)C1OC1C=O;SNNOYJIYKNKTBY-UHFFFAOYSA-N;132.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210994;MM210994;N#CC(F)C1OC1C=O;WWNOTANWDYUHQE-UHFFFAOYSA-N;129.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210995;MM210995;N#CC1OC1C(F)C=O;FNNMROQNABOUHC-UHFFFAOYSA-N;129.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210996;MM210996;C=CC(C)C1CN1C=N;BXXQLZWLWCPORO-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210997;MM210997;CC(C=O)C1CN1C=N;XBBDVHPMNRRHNB-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210998;MM210998;CC(C#N)C1CN1C=N;DRWYIRNUCLNDHV-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM210999;MM210999;C=CC(C)C1CN1C=O;RFVVVXJQQIPPFN-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211000;MM211000;C=NN(C=N)C(=O)NC;DSYIEUOFHZMZOZ-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211001;MM211001;CC(C#N)C1CN1C=O;YBXJNXWZXWNRCH-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211002;MM211002;C=CC(N)C1CN1C=N;ARSWLRCBNWPCNL-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211003;MM211003;C=CC(N)C1CN1C=O;UMLQULMDNFTDAX-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211004;MM211004;C=CC(O)C1CN1C=N;QFOASXQNBGFJMU-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211005;MM211005;N=CN1CC1C(O)C=O;KUJHUAYYKQCCHS-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211006;MM211006;N#CC(O)C1CN1C=N;FGUUYGKBJLDFAP-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211007;MM211007;C=CC(O)C1CN1C=O;MKRHURHECWWLMR-UHFFFAOYSA-N;127.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211008;MM211008;O=CC(O)C1CN1C=O;FEUNGIZUBMPODB-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211009;MM211009;N#CC(O)C1CN1C=O;ITPSRQBGZSUJHM-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211010;MM211010;C=CC(F)C1CN1C=N;ZCDFPBFKKNZWMC-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211011;MM211011;N=CN1CC1C(F)C=O;ZHUQTMYQUQSBDI-UHFFFAOYSA-N;130.12;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211012;MM211012;N#CC(F)C1CN1C=N;YSYMNPWZPVDGPC-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211013;MM211013;C=CC(F)C1CN1C=O;BAISYJSUVBGFTR-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211014;MM211014;O=CC(F)C1CN1C=O;CTTWGXASVBQHBX-UHFFFAOYSA-N;131.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211015;MM211015;N#CC(F)C1CN1C=O;CHSSMAKWSXFNHG-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211016;MM211016;C=CC(C)C1CN1N=C;BEESDWOLUVISOD-UHFFFAOYSA-N;124.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211017;MM211017;CC=NOC(C=O)CO;CVBRKUVFUMJWCP-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211018;MM211018;C=NN1CC1C(C)C#N;NCMRGKNWFKVGMM-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211019;MM211019;C=CC(N)C1CN1N=C;BOHJNGYXGPQJTH-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211020;MM211020;C=NOCC(CO)=NN;CVILGKCVFCUKGU-UHFFFAOYSA-N;131.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211021;MM211021;COC1C=CC(=NN)O1;CZYREILZXSESGM-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211022;MM211022;COC1CC(CO)=NO1;JNRNZCBHVGHBKQ-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211023;MM211023;C=CC(F)C1CN1N=C;GXJHMMZHNDDGGR-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211024;MM211024;C=CC1CC(CO)=NO1;JIBAXXFTTZQXFB-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211025;MM211025;C=NN1CC1C(F)C#N;RBNUMRNDKMPOKQ-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211026;MM211026;C=CC(C)N1CC1C=C;USDIYKKEYOJRPV-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211027;MM211027;O=CC1CC(CO)=NO1;ZIXIXJJUUVUQIZ-UHFFFAOYSA-N;129.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211028;MM211028;C=CC1CN1C(C)C#N;AFIMXLFTHRWSMW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211029;MM211029;N#CC1CC(CO)=NO1;NBBBMUNFSIQHKO-UHFFFAOYSA-N;126.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211030;MM211030;C=CC(C)N1CC1C#N;JAWNRRBZSIWFQP-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211031;MM211031;C#CC1CC(CO)=NO1;YOCBNUPALPSXPJ-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211032;MM211032;CN=C1N=CC(CO)=N1;ICPPMHAOZMTWCR-UHFFFAOYSA-N;125.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211033;MM211033;CC(C#N)N1CC1C#N;WKEOKYXRRXPERV-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211034;MM211034;C=CC1CN1N(C)C=N;JLSNXTPQOJYSQC-UHFFFAOYSA-N;125.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211035;MM211035;C=CC1CN1N(C)C=O;JJQKCBNGIPKNAG-UHFFFAOYSA-N;126.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211036;MM211036;CN(C=N)N1CC1C#N;IYODFLJZFVMUDT-UHFFFAOYSA-N;124.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211037;MM211037;CN(C=O)N1CC1C#N;TVEHEGWDCJICMO-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211038;MM211038;C#CC(C)C1CC1C=C;MVBPTLUTMIPVGX-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211039;MM211039;C#CC(C)C1CC1C=O;KZHKGIKLCJLESJ-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211040;MM211040;C#CC(C)C1CC1C#N;YUTMGUXAGBLOED-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211041;MM211041;C#CC(N)C1CC1C=C;BEXKBPIOWWKHMK-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211042;MM211042;C#CC(O)C1CC1C=C;ZJWFAPBGOSJMOP-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211043;MM211043;C#CC(O)C1CC1C=O;DYJIQKZZOGPGHP-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211044;MM211044;C#CC(O)C1CC1C#N;DWHPJSCREBRLEK-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211045;MM211045;C#CC(F)C1CC1C=C;ZLXACEYABMMGMB-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211046;MM211046;C#CC(F)C1CC1C=O;APVWYBVOBOGLMQ-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211047;MM211047;C#CC(F)C1CC1C#N;JFRLCCUMSKIUDR-UHFFFAOYSA-N;123.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211048;MM211048;NN=C1N=CC(CO)=N1;CPQAZAAWBMWINT-UHFFFAOYSA-N;126.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211049;MM211049;C#CC(C)C1NC1C#N;RGAQYSFQBGNDFM-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211050;MM211050;O=C1CCC(CO)=NO1;NCLBGGVQMBXUEB-UHFFFAOYSA-N;129.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211051;MM211051;N#CC(=CC1CN1)CO;IZZFFLGLOWAIFZ-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211052;MM211052;C#CC(O)C1NC1C#N;SDMGDQRAHCJGQE-UHFFFAOYSA-N;122.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211053;MM211053;C#CC(F)C1NC1C=C;AKCHQUFVDHKIOM-UHFFFAOYSA-N;125.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211054;MM211054;C=NNC(C)(C)C(C)(C)O;KAMNXENRTSXMGA-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211055;MM211055;C#CC(F)C1NC1C#N;IXDKLHMQBWEYHU-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211056;MM211056;C#CC(C)C1OC1C=C;XITUWYAGXOJPKX-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211057;MM211057;C#CC(C)C1OC1C=O;CKVFQCQHPQZUFH-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211058;MM211058;C#CC(C)C1OC1C#N;ZWCHRAVBULHQQV-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211059;MM211059;C#CC(N)C1OC1C=C;LGCCYDGMLPDABG-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211060;MM211060;C#CC(O)C1OC1C#N;HAANPDSGPQMCEA-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211061;MM211061;C#CC(F)C1OC1C=C;CXNNNGXGGDPALN-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211062;MM211062;C#CC(F)C1OC1C=O;ZAJFLSUULRPFLK-UHFFFAOYSA-N;128.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211063;MM211063;C#CC(F)C1OC1C#N;GVZOPNCXZLISBK-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211064;MM211064;C#CC(C)C1CN1C=N;PLOTULLHJYHHPG-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211065;MM211065;C#CC(C)C1CN1C=O;CGDFWXNJSWEGSU-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211066;MM211066;C#CC(N)C1CN1C=N;KQMCXKFLJCPZNV-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211067;MM211067;C#CC(O)C1CN1C=N;QIZAGQWQKVBWQB-UHFFFAOYSA-N;124.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211068;MM211068;C#CC(O)C1CN1C=O;XKCHHNNHKCMHLZ-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211069;MM211069;C#CC(F)C1CN1C=N;XYNZVQGGNFVOSB-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211070;MM211070;C#CC(F)C1CN1C=O;ZPPRAUXMILDXNB-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211071;MM211071;C#CC(C)C1CN1N=C;DEHMENBWXDMLOS-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211072;MM211072;C=NNC(CO)C(C)(C)O;MLBUBZKBAFKHST-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211073;MM211073;C#CC(F)C1CN1N=C;TYDMPBHJXAVWHG-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211074;MM211074;C#CC(C)N1CC1C=C;LLMBQERNOQSRMU-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211075;MM211075;C#CC(C)N1CC1C#N;QURNWHZPOOOBPE-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211076;MM211076;C#CC1CC1C(C)CC;AEYQBIKCYGEOHB-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211077;MM211077;C#CC1CC1C(C)CN;BAOWSCZOBLFPFH-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211078;MM211078;C=NNC(C)(C=O)C(C)O;ADGNNPGIWJHPDC-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211079;MM211079;C#CC1CC1C(C)CF;YFBKCEJFPGPKAB-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211080;MM211080;C#CC1CC1C(N)CC;YXXOOSUUVJXICB-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211081;MM211081;C#CC1CC1C(N)CN;ZWTRDPHUGLGXLG-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211082;MM211082;C#CC1CC1C(N)CO;UQICOKJQKPZYON-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211083;MM211083;CC(CO)=NN(C)C(N)=O;JASPMHOOYWHHBK-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211084;MM211084;C#CC1CC1C(O)CN;XPGRUMVXTYYTPN-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211085;MM211085;C#CC1CC1C(O)CF;NFBBUQHFSAKDFA-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211086;MM211086;C#CC1CC1C(F)CC;UZMZOJZQGUFZCI-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211087;MM211087;C#CC1CC1C(F)CO;KFKRWKBNQZDRCX-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211088;MM211088;C#CC1CC1C(F)CF;YVAZOWISEZDZBL-UHFFFAOYSA-N;130.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211089;MM211089;C#CC1CC1C(C)NC;KWIOOKDNCDNEQA-UHFFFAOYSA-N;123.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211090;MM211090;C#CC1CC1C(C)OC;PYPBEWPJWWVOAI-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211091;MM211091;C#CC1CC1N(C)CC;BGXSOFMJHLLPNN-UHFFFAOYSA-N;123.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211092;MM211092;C#CC1NC1C(C)CC;DOQOIZIMFGWAON-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211093;MM211093;C#CC1NC1C(C)CN;OIEVAJXBISQCHL-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211094;MM211094;CC(C)=NOC(C)C(C)O;DWOXZYMULUVFBC-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211095;MM211095;C#CC1NC1C(N)CC;OTNUMMQRSLZPBD-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211096;MM211096;C#CC1NC1C(N)CN;AVTDFWZFPZUSLK-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211097;MM211097;C#CC1NC1C(N)CO;HLSXDICGMLCYAU-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211098;MM211098;CON=C(C=C(N)N)CO;DOTMRQIWGNBHHS-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211099;MM211099;C#CC1NC1C(O)CN;XIJWKRJFVCMYPO-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211100;MM211100;COCC(CO)=NN(C)C;MNHUAAUBJSNVGZ-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211101;MM211101;C#CC1NC1C(F)CN;YGRNMYAVTKUVDV-UHFFFAOYSA-N;128.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211102;MM211102;C#CC1NC1C(F)CF;KUTCGTLZFFJYQE-UHFFFAOYSA-N;131.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211103;MM211103;C#CC1NC1C(C)NC;ODFUQQSJHOPMKG-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211104;MM211104;C#CC1NC1C(C)OC;SWTIMOSLFLWOHZ-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211105;MM211105;C#CC1OC1C(C)CC;DJOKNFBDJBWASL-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211106;MM211106;C#CC1OC1C(C)CN;OPTGOWBJKOXAGU-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211107;MM211107;C#CC1OC1C(C)CO;IKNKZCVNIOGANM-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211108;MM211108;C#CC1OC1C(N)CC;OXZXULOQPDACTF-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211109;MM211109;C#CC1OC1C(N)CN;COMZANMTKPXVCV-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211110;MM211110;C#CC1OC1C(N)CO;VNMQUWZFLNSPOF-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211111;MM211111;C#CC1OC1C(O)CC;CFLIEDAPKKONLV-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211112;MM211112;C#CC1OC1C(O)CO;RKWDVQJEUDUQQP-UHFFFAOYSA-N;128.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211113;MM211113;C#CC1OC1C(F)CC;FZHSBECBWCQGHC-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211114;MM211114;C#CC1OC1C(F)CO;FBJGJAAVASCYQJ-UHFFFAOYSA-N;130.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211115;MM211115;C#CC1OC1C(C)NC;YAIRCDDPFSEGCX-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211116;MM211116;C#CC1OC1C(C)OC;NDSHMENSEOBZOJ-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211117;MM211117;C#CC1CN1C(C)CC;BNMGFNZKWFOOHT-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211118;MM211118;C#CC1CN1C(C)CN;WEBMWNLXJQTXBE-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211119;MM211119;NC(=O)N(N)C(=CF)CO;CRCFEKHOSWPHKR-UHFFFAOYSA-N;149.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211120;MM211120;C#CC1CC1C(C)C=C;PUACEYLVCQHHSA-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211121;MM211121;C#CC1CC1C(C)C=O;HYODRZIXOVDSPM-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211122;MM211122;C#CC1CC1C(C)C#N;OKXPXZGFHNDIND-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211123;MM211123;C#CC1CC1C(N)C=C;SHRUBRQLHZGWHZ-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211124;MM211124;C#CC(=CF)N(N)C(N)=O;RUVRSIQKKWMRHL-UHFFFAOYSA-N;143.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211125;MM211125;C#CC1CC1C(O)C=O;HUSJNNSPFRWHGT-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211126;MM211126;C#CC1CC1C(O)C#N;YUGCTUKNNUYGLS-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211127;MM211127;C#CC1CC1C(F)C=C;CIKBQNNSHFNCLB-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211128;MM211128;C#CC1CC1C(F)C=O;ONXHGDCWHFWTJQ-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211129;MM211129;C#CC1CC1N(C)C=N;ABFIVOAOGZOHAV-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211130;MM211130;C#CC1CC1N(C)C=O;HZPNEKKRRQZIFM-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211131;MM211131;C#CC1CC1N(N)C=N;HTUCEKYAURQEDB-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211132;MM211132;C#CC1CC1N(N)C=O;COGAEEVERWTXDB-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211133;MM211133;C#CC1CC1N(C)N=C;YBVQYRBIUMXVPS-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211134;MM211134;C#CC1NC1C(C)C=C;AWNMWVJZNLGOPW-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211135;MM211135;CC(O)C(C)ON=CNN;DOCWFAYAVSKGNT-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211136;MM211136;C#CC1NC1C(C)C#N;RDSWDDXMYFMRBO-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211137;MM211137;C#CC1NC1C(N)C=C;SJDXNIFYYFZEOU-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211138;MM211138;NN=CC=CC(F)C(N)=O;JFSPEGSFCMYTBR-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211139;MM211139;CCC1(C)CC(CO)=NO1;MSQPWVUIQIMSRD-UHFFFAOYSA-N;143.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211140;MM211140;C#CC1NC1C(O)C#N;NSGIVWBMRNDPNJ-UHFFFAOYSA-N;122.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211141;MM211141;C#CC1NC1C(F)C=C;INVODLMNBJVTKE-UHFFFAOYSA-N;125.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211142;MM211142;C#CC1OC1C(C)C=C;UMJBLMRPKLWNIE-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211143;MM211143;C#CC1OC1C(C)C=O;OLFDRDCBVBYKKB-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211144;MM211144;C#CC1OC1C(C)C#N;AGGWZOAQYGVXDD-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211145;MM211145;C#CC1OC1C(N)C=C;JGJFHHNULOPGBL-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211146;MM211146;C#CC1OC1C(O)C=C;XNOQXYBPEPCYPO-UHFFFAOYSA-N;124.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211147;MM211147;C#CC1OC1C(O)C=O;BMIOLWPQUULVKQ-UHFFFAOYSA-N;126.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211148;MM211148;C#CC1OC1C(O)C#N;PVIFAYFVBQDUGG-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211149;MM211149;C#CC1OC1C(F)C#N;IUQUJWAOECKKIT-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211150;MM211150;C#CC1CN1C(C)C=C;VJGYYPNTFBVGGT-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211151;MM211151;CC1(CF)CC(CO)=NO1;LQKMPJIOZHGVHA-UHFFFAOYSA-N;147.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211152;MM211152;C#CC1CN1C(C)C#N;GSPLLJSRLUUVOO-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211153;MM211153;C#CC1CN1N(C)C=N;JZNSDASFQFPXHB-UHFFFAOYSA-N;123.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211154;MM211154;C#CC1CN1N(C)C=O;GITDYKOEHDLTEW-UHFFFAOYSA-N;124.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211155;MM211155;C#CC(C)C1CC1C#C;XJTOLHQSHOZCTI-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211156;MM211156;C#CC(N)C1CC1C#C;RYCBYBKMGJTUCO-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211157;MM211157;C#CC(O)C1CC1C#C;YUUSVNYRBOEXRM-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211158;MM211158;C#CC(F)C1CC1C#C;AWLMRRBGMWCPTG-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211159;MM211159;C#CC(C)C1NC1C#C;KTICMBTWIHYJLK-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211160;MM211160;C=CC1(C)CC(CO)=NO1;PFIAHDGHELGOHY-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211161;MM211161;C#CC(F)C1NC1C#C;XGKKISPURQIKSV-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211162;MM211162;C#CC(C)C1OC1C#C;SAIXLJJBMAIAAO-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211163;MM211163;C#CC(N)C1OC1C#C;HVUUIPGTWLNTEZ-UHFFFAOYSA-N;121.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211164;MM211164;C#CC(O)C1OC1C#C;ZZLVAIBWPYBFPE-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211165;MM211165;C#CC(C)N1CC1C#C;HWCIVXKZAHOYRZ-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211166;MM211166;C=C(CC)C1CC1CC;BWBQMUMXGFBYBB-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211167;MM211167;C=C(CN)C1CC1CC;QPKJWNQBALEQPD-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211168;MM211168;C=C(CO)C1CC1CC;DKADIXMQZOUIST-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211169;MM211169;C=C(CF)C1CC1CC;OJZGLIWPZJTPMR-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211170;MM211170;C=C(CC)C1CC1CN;HYWJJASCJWSBDS-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211171;MM211171;C=C(CN)C1CC1CN;QCMWYIKQNCWJQX-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211172;MM211172;C=C(CO)C1CC1CN;KXDVKDDVQYINTL-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211173;MM211173;C=C(CF)C1CC1CN;MBOZXDLZTFRPAI-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211174;MM211174;CC1(C#N)CC(CO)=NO1;IVPPKOBZUWYAJY-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211175;MM211175;C=C(CN)C1CC1CO;XPAZCAFAZROSRG-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211176;MM211176;C#CC1(C)CC(CO)=NO1;WROYGTDEJLOAQL-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211177;MM211177;C=C(CC)C1CC1CF;GJBGZJIUAPWCEC-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211178;MM211178;C=C(CN)C1CC1CF;ROECLDDSISTROW-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211179;MM211179;C=C(CO)C1CC1CF;KPTQGRHJTHZYBL-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211180;MM211180;C=C(CF)C1CC1CF;GRLCTSXCKDCIHO-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211181;MM211181;CCC(=O)C1CC1CC;RTHLRSHHYJRYNA-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211182;MM211182;CCC1CC1C(=O)CO;MARPKTWIYMSNIU-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211183;MM211183;CCC1CC1C(=O)CF;OESIAHVCFUUMSU-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211184;MM211184;CCC(=O)C1CC1CO;BJMFLXDRCHQGII-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211185;MM211185;O=C(CO)C1CC1CO;ZIZRFLRXIKPTJZ-UHFFFAOYSA-N;130.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211186;MM211186;O=C(CO)C1CC1CF;CMIKRBQDWWEBMN-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211187;MM211187;CCC1CC1C(=N)NC;YKSSKZRNGNRKJN-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211188;MM211188;CCC1CC1C(=N)NN;PPZCMMBSIDZTMS-UHFFFAOYSA-N;127.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211189;MM211189;CCC1CC1C(=N)NO;XXFVALCZBZSCKN-UHFFFAOYSA-N;128.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211190;MM211190;CNC(=N)C1CC1CN;YMIPLVPYQVHFDJ-UHFFFAOYSA-N;127.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211191;MM211191;N=C(NO)C1CC1CN;ZGCUPNGGEXUCMY-UHFFFAOYSA-N;129.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211192;MM211192;CNC(=N)C1CC1CO;GHUNEXWLEGNNAM-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211193;MM211193;N=C(NN)C1CC1CO;YYXQAAPMDFXUJI-UHFFFAOYSA-N;129.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211194;MM211194;N=C(NO)C1CC1CO;AYDJKTRKMSHUFS-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211195;MM211195;C#CC(=NC(C)CO)NO;OPAMBXRJWFGDII-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211196;MM211196;N#CC1(CNC(N)=O)CN1;HRBSHPNXFLQTSZ-UHFFFAOYSA-N;140.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211197;MM211197;CCC1CC1C(=O)NO;ZSKIPSAJHVOETF-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211198;MM211198;CNC(=O)C1CC1CN;ADVYJDKIGOLHCH-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211199;MM211199;C=C(OC)C1CC1CN;VNSXQDFRFCPGOI-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211200;MM211200;C=C(OC)C1CC1CO;XBIZMSJBBZRUAL-UHFFFAOYSA-N;128.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211201;MM211201;CCC1CC1C(=O)OC;LHOWTGQHISUBOL-UHFFFAOYSA-N;128.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211202;MM211202;C=C(CC)C1CC1NC;VZRLGBXIAAFNRH-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211203;MM211203;C=C(CN)C1CC1NC;BKQYUWRIELPCQZ-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211204;MM211204;C=C(CO)C1CC1NC;OQDNORDRWYOHPA-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211205;MM211205;C=C(CF)C1CC1NC;JNAOWTVOJBEZEA-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211206;MM211206;CCC(=O)C1CC1NC;NSKUFUFEGDZADX-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211207;MM211207;CNC1CC1C(=O)CO;AJBAVMWKEXCRIV-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211208;MM211208;CNC(=N)C1CC1NC;ALLCJBMBPKQPBJ-UHFFFAOYSA-N;127.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211209;MM211209;CNC1CC1C(=N)NN;CXJMQEZLDUOMDV-UHFFFAOYSA-N;128.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211210;MM211210;CNC(=O)C1CC1NC;RPUXZDZTRUXYKV-UHFFFAOYSA-N;128.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211211;MM211211;CNC1CC1C(=O)NN;BYCLHZURHSRKNY-UHFFFAOYSA-N;129.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211212;MM211212;C=C(OC)C1CC1NC;AZKQVDXTBQDQTI-UHFFFAOYSA-N;127.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211213;MM211213;C=C(CC)C1CC1OC;YMASVNBVAARKJA-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211214;MM211214;COC1CC1C(=O)CO;GENAMBVYRRJXQT-UHFFFAOYSA-N;130.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211215;MM211215;COC1CC1C(=O)CF;LLLHBPXWXDLSDI-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211216;MM211216;COC1CC1C(=N)NN;SGPPUNKIVCWERU-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211217;MM211217;CNC(=O)C1CC1OC;UDDAGBNLUBEKJQ-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211218;MM211218;C#CC(=O)N(N)C(=O)CF;KFDXZGWGCRSRJV-UHFFFAOYSA-N;144.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211219;MM211219;C=C(OC)C1CC1OC;PWRZWXOPSOVSLF-UHFFFAOYSA-N;128.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211220;MM211220;COC(=O)C1CC1OC;CXSOIAZZNZFSSR-UHFFFAOYSA-N;130.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211221;MM211221;C=C(CN)C1NC1CC;RIXMSODGCNVLDO-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211222;MM211222;C=C(CC)C1NC1CN;GDUFKSMICPOENS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211223;MM211223;C=C(CN)C1NC1CN;JGOQTDJVPXBBPP-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211224;MM211224;C=C(CO)C1NC1CN;XUUCJSROVILECD-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211225;MM211225;C=CN(O)C=NOCCO;UWXVSIMOPBVJDC-UHFFFAOYSA-N;146.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211226;MM211226;C=C(CN)C1NC1CO;VKWPMKSIBCXLSM-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211227;MM211227;C=C(CC)C1NC1CF;VDWRUNASWNUUIF-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211228;MM211228;C#CC(C#CC)N(O)C=N;YEXWUGXFIJMSRH-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211229;MM211229;CNN=C(CO)C(C)OC;RSCQBVALIOTMPE-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211230;MM211230;C=CC(=C)C(CO)=NOC;LPMRBCWHFRVDAC-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211231;MM211231;CON=C(CO)CCCO;QTNHIRFXZLHCMN-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211232;MM211232;CCOCC(CO)=NNC;GLMBEJYKOIOPHL-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211233;MM211233;C=COCC(CO)=NNC;ALPQUYMAPFJKTK-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211234;MM211234;CCC1NC1C(=N)NC;QIUITMOEQHBSGI-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211235;MM211235;CCC1NC1C(=N)NN;MSVNZLGPSOTSHU-UHFFFAOYSA-N;128.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211236;MM211236;N=C(NO)C1NC1CN;NDKODQALNLMWOH-UHFFFAOYSA-N;130.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211237;MM211237;CNN=C(CO)COC=O;WBKXDUCKOLZCCI-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211238;MM211238;N=CN=C(NO)OCCO;DVSCZRQXJSFZQN-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211239;MM211239;CCC1NC1C(=O)NO;UVHLPIAQHPCLHD-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211240;MM211240;O=C(NO)C1NC1CF;GHMNTUPPXHGTHW-UHFFFAOYSA-N;134.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211241;MM211241;C=C(OC)C1NC1CC;UGDJZJIPSTXMAC-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211242;MM211242;C=C(OC)C1NC1CN;GCMWYGCMNIKAQH-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211243;MM211243;CCN=NC(=CNN)CO;TVTJHZAKDLBXJA-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211244;MM211244;COC(=O)C1NC1CF;AQNDOZLLOUMCSF-UHFFFAOYSA-N;133.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211245;MM211245;C=C(CC)C1OC1CC;ZQOVSWPDDAJWFV-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211246;MM211246;C=C(CN)C1OC1CC;FABKVCBMQYILLY-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211247;MM211247;C=C(CO)C1OC1CC;ZZZLBNSTGVRZLF-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211248;MM211248;C=C(CF)C1OC1CC;BBEOOPKOJJCEAU-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211249;MM211249;C=C(CC)C1OC1CN;IMGJIDKCNIRGIA-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211250;MM211250;C=C(CC)C1OC1CO;DKPURMCICUALNA-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211251;MM211251;C=C(CN)C1OC1CO;JTUCHDNFLVDLHV-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211252;MM211252;C=C(CC)C1OC1CF;WIQBUUQXCIZTSS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211253;MM211253;CCC1OC1C(=O)CO;UHXSHEMOUWDVFD-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211254;MM211254;CCC1OC1C(=O)CF;YBPDZUAYXUBWGE-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211255;MM211255;CCC1OC1C(=N)NC;WIRNGJUYOGBWRB-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211256;MM211256;CCC1OC1C(=N)NN;AOIOPOLVNVFKFE-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211257;MM211257;N=C(NO)C1OC1CN;PTCXDMJKHZWSNJ-UHFFFAOYSA-N;131.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211258;MM211258;CNC(=N)C1OC1CF;ORCVHBMACHVJCX-UHFFFAOYSA-N;132.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211259;MM211259;NC=CC(CO)=NOC=O;FKAYRVAFQYHGBP-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211260;MM211260;CCC1OC1C(=O)NO;POXODZHOSMAUKY-UHFFFAOYSA-N;131.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211261;MM211261;C=C(CN)C1CN1CC;CXCCCNLMCHOPMG-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211262;MM211262;C=CC(OC=NN)C(C)O;LRMJJDZMQZRXQW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211263;MM211263;C=C(CF)C1CN1CC;RTGWCLNJUAFZNQ-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211264;MM211264;CN=C(OCCO)N(C)O;XPKRIWDCHSVLPW-UHFFFAOYSA-N;148.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211265;MM211265;NN=COC(=NN)C(N)=O;KSDJWIKROVMDHN-UHFFFAOYSA-N;145.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211266;MM211266;CCN1CC1C(=N)NC;SDEATMFTWHVBPS-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211267;MM211267;CCN1CC1C(=N)NN;BDTCCVSLJMHENW-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211268;MM211268;CC1C2CC(=NN)CC12O;HUXLWVCBEISNNO-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211269;MM211269;CCN1CC1C(=O)NO;DRRBWCNGTHWMAF-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211270;MM211270;C=C(OC)C1CN1CC;DOYZNCIMOGISNN-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211271;MM211271;CCC(=N)N1CC1CC;FDXRUHNLYLZEGB-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211272;MM211272;CCC1CN1C(=N)CN;KJWJJYBLXRUBGT-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211273;MM211273;CCC1CN1C(=N)CO;GINKYZALUMHVMH-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211274;MM211274;CCC(=N)N1CC1CN;AESCNRKMWKGGAA-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211275;MM211275;N=C(CN)N1CC1CN;BPANRRPDVBOUMU-UHFFFAOYSA-N;128.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211276;MM211276;N=C(CO)N1CC1CN;JVSZMNKTIMVOJL-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211277;MM211277;CCC(=N)N1CC1CO;UFHFPZJWKRJHPH-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211278;MM211278;N=C(CN)N1CC1CO;OCYJIFWJOPUIPV-UHFFFAOYSA-N;129.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211279;MM211279;N=C(CO)N1CC1CO;WFUZWDBJYLGKRQ-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211280;MM211280;CCC(=N)N1CC1CF;CXRPJIBUFSJOGY-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211281;MM211281;CCC(=O)N1CC1CC;VDAWPJBRKSMHBG-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211282;MM211282;CCC1CN1C(=O)CO;SDGKGABOPSOATQ-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211283;MM211283;CCC1CN1C(=O)CF;KHFGNGYWOWBXFZ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211284;MM211284;CCC(=O)N1CC1CN;LACZDCSLVOUDSI-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211285;MM211285;NCC(=O)N1CC1CN;WANUCFNSGNICFU-UHFFFAOYSA-N;129.16;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211286;MM211286;NCC1CN1C(=O)CO;XJTKZLULKDWNPD-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211287;MM211287;NCC1CN1C(=O)CF;VXKHCSCKUJNBDC-UHFFFAOYSA-N;132.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211288;MM211288;CCC(=O)N1CC1CO;OABAIOSPCWGQDB-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211289;MM211289;O=C(CF)N1CC1CO;LGONAQUPWAQFOP-UHFFFAOYSA-N;133.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211290;MM211290;CCC(=O)N1CC1CF;QYSQWIUPEAJTQJ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211291;MM211291;O=C(CF)N1CC1CF;VIHYKIYEAZMOSA-UHFFFAOYSA-N;135.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211292;MM211292;CCC1CN1C(=N)NC;CRZXHBMXSAMHPU-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211293;MM211293;CNC(=N)N1CC1CN;SCGHLQVQURXRTA-UHFFFAOYSA-N;128.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211294;MM211294;N=C(NO)N1CC1CN;MVCQPAROXVGUBU-UHFFFAOYSA-N;130.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211295;MM211295;CNC(=N)N1CC1CO;KHWKXEXEUJUIET-UHFFFAOYSA-N;129.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211296;MM211296;CCC1CN1C(=O)NC;ZGUFQVYOXNCIFU-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211297;MM211297;C=CC(=C)C1CC1CC;GRBIZSUVWUPKGM-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211298;MM211298;C=C(C=O)C1CC1CC;IESJRWFWBUMRIA-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211299;MM211299;C=C(C#N)C1CC1CC;HPZIWISVEPFDIL-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211300;MM211300;C=CC(=C)C1CC1CN;MKVCRTJNYZBVIQ-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211301;MM211301;C#CC(=CF)C(CO)=NN;HWAPUKNDBFTQTE-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211302;MM211302;COC=NOC(C=O)CO;YISFEPGAMSNHSN-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211303;MM211303;C=CC=NOC(C=O)CO;AJJUZFDGEVARFP-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211304;MM211304;C=CC(=C)C1CC1CF;PNKVECSYHWGTKP-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211305;MM211305;C=C(C=O)C1CC1CF;BLJKIDWOZVKJLK-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211306;MM211306;C=C(C#N)C1CC1CF;FUWBXTJDTAXVHV-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211307;MM211307;C=CC(=O)C1CC1CC;YSYXHZKMPFZAAC-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211308;MM211308;CCC1CC1C(=O)C=O;PMRAAPRBRLCVGT-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211309;MM211309;CCC1CC1C(=O)C#N;MJFLIOGWLQAJRY-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211310;MM211310;N#CC(=O)C1CC1CO;WTSOWELVQAQICF-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211311;MM211311;C=CC(=O)C1CC1CF;PFLNHKSEVBWEMQ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211312;MM211312;N#CC(=O)C1CC1CF;YPFZJDQFEAVUCJ-UHFFFAOYSA-N;127.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211313;MM211313;C=CC(=C)C1CC1NC;JRQBWYYGBXHZFN-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211314;MM211314;C=C(C=O)C1CC1NC;YLTPTGNOQZLVBE-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211315;MM211315;C=C(C#N)C1CC1NC;NNMPABFVBLKPEX-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211316;MM211316;C=CC(=O)C1CC1NC;YIQZGMAOYWDVAS-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211317;MM211317;CNC1CC1C(=O)C=O;CMMOESXYUMPMJO-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211318;MM211318;C=CC(=C)C1CC1OC;QVGSQSJQXGLRGM-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211319;MM211319;C=C(C#N)C1CC1OC;WKMYGQWDQVYQQF-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211320;MM211320;C=CC(=O)C1CC1OC;FAHBLYVHCZFOBP-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211321;MM211321;COC1CC1C(=O)C=O;ACTNQSGUDAZXQY-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211322;MM211322;COC1CC1C(=O)C#N;GPYCDKHVNAFGLX-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211323;MM211323;C=C(C#N)C1NC1CC;PTDKVYJYLMJOCS-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211324;MM211324;C=CC(=C)C1NC1CN;PHSZIQKMTJNDQH-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211325;MM211325;CCC(CO)=NOC=NN;CGSPQZBUDYZCIT-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211326;MM211326;C=CC(=C)C1NC1CF;BLBZIHAAWCNEIH-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211327;MM211327;C=C(C=O)C1NC1CF;BSMHXHXWSIKCTB-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211328;MM211328;C#CCC(=O)C(C#N)NC;RVFVEESPVFVKBI-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211329;MM211329;C=COC(C)C(CO)=NN;CTOOZPCKOQPNLY-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211330;MM211330;CC1NC1C=C(C#N)CO;LVXBZELHFUZJCY-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211331;MM211331;CN1CC1C=C(C#N)CO;ZRXPDWJKEITXOA-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211332;MM211332;CC=CC1CC(CO)=NO1;VTLGHHAGGBWMIF-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211333;MM211333;CC#CC1CC(CO)=NO1;IOOBRRCFRKEZIZ-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211334;MM211334;C=CC(=C)C1OC1CC;UFYZJBICLMLFPY-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211335;MM211335;C=C(C#N)C1OC1CC;IFZNGTFTVGYLSE-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211336;MM211336;C=C(C#N)C1OC1CO;OBPFRKHZRKIJAN-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211337;MM211337;C=CC(=O)C1OC1CC;ABWKZEBKNGJOQE-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211338;MM211338;CCC1OC1C(=O)C=O;OZGCSFRXXNMCHZ-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211339;MM211339;O=CC(=O)C1OC1CF;VTUXWGGCXVFGKS-UHFFFAOYSA-N;132.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211340;MM211340;C=CC(=C)C1CN1CC;PBYGTBCFFMXBSZ-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211341;MM211341;C=C(C#N)C1CN1CC;AECGJLHOGNPAQQ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211342;MM211342;C=CC(=O)C1CN1CC;YOFDGPAHHSLUSO-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211343;MM211343;CCN=C1N=CC(CO)=N1;FGVOVNSVCPJMFE-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211344;MM211344;CNn1ccc(NC=O)c1;VPOMLHYVXWYLAM-UHFFFAOYSA-N;139.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211345;MM211345;C=CC(=N)N1CC1CC;SJCWMCDOUBRONI-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211346;MM211346;CCC1CN1C(=N)C=O;SQSMICXUPIGCIM-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211347;MM211347;CCC1CN1C(=N)C#N;KMZMJRWTZGDCFT-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211348;MM211348;C=CC(=N)N1CC1CN;WDWRPFVTKXLSBM-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211349;MM211349;C=CC(=N)N1CC1CO;REWYWSGLTJYYOJ-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211350;MM211350;CC=Cc1ccc(N=N)[nH]1;RWHFLZONUPZYSG-UHFFFAOYSA-N;135.17;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211351;MM211351;CC12CC(C1)C(CO)=NO2;NEVYXWVJQDSPML-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211352;MM211352;C=CC(=N)N1CC1CF;MRXVEJSQCFYDDE-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211353;MM211353;C=CC(=O)N1CC1CC;QTPHHOICLIZFLF-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211354;MM211354;CCC1CN1C(=O)C=O;GYMMIYQIHWGFEK-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211355;MM211355;CCC1CN1C(=O)C#N;XFLJLORHRPLCSR-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211356;MM211356;C=CC(=O)N1CC1CN;BNAMLRXVADQESX-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211357;MM211357;C=CC(=O)N1CC1CO;SESCGTHDCKVKGT-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211358;MM211358;O=CC(=O)N1CC1CO;WPCNOPJTESXXCK-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211359;MM211359;C=CC(=O)N1CC1CF;SRBXWVAYEFZMNN-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211360;MM211360;C#CC(=C)C1CC1CC;CDAIJXPIHVKKKB-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211361;MM211361;C#CC(=C)C1CC1CN;ROTMULGSSGBRDJ-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211362;MM211362;C=Cc1ncc(CO)n1C;KMACFVMUWLEQMN-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211363;MM211363;C#CC(=C)C1CC1CF;NSFVXZVBRVLAEY-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211364;MM211364;C#CC(=O)C1CC1CC;RENCAHAFFGJBPK-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211365;MM211365;C#CC(=O)C1CC1CO;OCMUJPSEIIJJKZ-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211366;MM211366;C#CC(=O)C1CC1CF;GTXSXAFRJCZTME-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211367;MM211367;C#CC(=C)C1CC1NC;GJZADQZBZSAPTP-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211368;MM211368;C#CC(=O)C1CC1NC;RFVOBFQWFATUCE-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211369;MM211369;C#CC(=C)C1CC1OC;FORJSZRMFBGJNV-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211370;MM211370;C#CC(=O)C1CC1OC;ACTYNDUKNSMUIA-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211371;MM211371;C#CC(=C)C1NC1CN;OTGPQDQZXWEVOU-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211372;MM211372;C#Cc1ncc(CO)n1C;IKCOCHGKJVXZGW-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211373;MM211373;CC1C(O)CN1C1CC1F;NYSMQRDBAFTVFO-UHFFFAOYSA-N;145.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211374;MM211374;NN=C1CCC(CO)=NO1;BQGMOSHOEFAPSW-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211375;MM211375;N#CC(=CCN1CC1)CO;QYDMMKZKEKVMDE-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211376;MM211376;C#CC(=C)C1OC1CC;KTIUXAMLIWCZCZ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211377;MM211377;C#CC(=C)C1OC1CN;KXSDTBXECPMYAM-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211378;MM211378;C#CC(=O)C1OC1CC;PFXJEQFRVIBRJC-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211379;MM211379;C#CC(=C)C1CN1CC;QSEKLKFGRKIVOM-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211380;MM211380;Nc1nn[nH]c1N;DQSBZDLZCZUJCJ-UHFFFAOYSA-N;99.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211381;MM211381;C#CC(=N)N1CC1CC;UKWUHWOABFMIQH-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211382;MM211382;C#CC(=N)N1CC1CN;QYJIXHZMIVZNNC-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211383;MM211383;C#CC(=N)N1CC1CO;IUWXJCFRZXEQOE-UHFFFAOYSA-N;124.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211384;MM211384;C#CC(=N)N1CC1CF;BPMURZLIGWKVFL-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211385;MM211385;C#CC(=O)N1CC1CC;ZZYKETGWZHPLNY-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211386;MM211386;C#CC(=O)N1CC1CN;AWSRTJXGYOXRIP-UHFFFAOYSA-N;124.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211387;MM211387;C#CC(=O)N1CC1CO;WXNPLQMGNUFYQH-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211388;MM211388;C=CC1CC1C(=C)CC;HNGYIXXDOYBLGV-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211389;MM211389;C=CC1CC1C(=C)CN;GAPUBINYCLNUDO-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211390;MM211390;C=CC1NCC1=O;WJYCYEJAFCAACH-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211391;MM211391;C=CC1CC1C(=C)CF;YBWHAQJRKLRDTR-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211392;MM211392;C=C(CC)C1CC1C=O;JQUOWHKCSZHVCZ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211393;MM211393;C=C(CC)C1CC1C#N;FZRQOYILHXCBEN-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211394;MM211394;OCC1=NOCC1;AXXHZONWMAQUJM-UHFFFAOYSA-N;101.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211395;MM211395;C=C(CO)C1CC1C#N;DROWRAPGRKMGOJ-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211396;MM211396;C=C(CF)C1CC1C#N;QONOSOIYJWKIFN-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211397;MM211397;C=CC1CC1C(=O)CC;LQORUFKVKVSCTJ-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211398;MM211398;C=CC1CC1C(=O)CO;MRZMIZWDCIXSTF-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211399;MM211399;C=CC1CC1C(=O)CF;JBRCUEJJCVXHSG-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211400;MM211400;CCC(=O)C1CC1C=O;MLARQVQEUSQHCI-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211401;MM211401;CCC(=O)C1CC1C#N;ANLZKDNFALWNAE-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211402;MM211402;O=CC1CC1C(=O)CO;LFFIDNWDTXSDJG-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211403;MM211403;N#CC1CC1C(=O)CO;ZDBUSVQMKVQJMI-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211404;MM211404;O=CC1CC1C(=O)CF;VSSWURVRCMTLEK-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211405;MM211405;N#CC1CC1C(=O)CF;SGAZQDKFSYSJSC-UHFFFAOYSA-N;127.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211406;MM211406;C=CC1CC1C(=N)NC;DENSPWVZAMPALS-UHFFFAOYSA-N;124.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211407;MM211407;C=CC1CC1C(=N)NN;DSUNHMHKWXZOBQ-UHFFFAOYSA-N;125.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211408;MM211408;C=CC1CC1C(=N)NO;FNZPEIKHZJGGPF-UHFFFAOYSA-N;126.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211409;MM211409;CN=C(N)C1CC1C=O;DBXSQGYNZUVIEB-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211410;MM211410;CNC(=N)C1CC1C#N;KGRAPCAJRQLFGJ-UHFFFAOYSA-N;123.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211411;MM211411;N#CC1CC1C(=N)NO;UJZMZUIZTIFOSL-UHFFFAOYSA-N;125.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211412;MM211412;COCC(CO)=NN;UULYMSIQXCPUQU-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211413;MM211413;CNC(=O)C1CC1C#N;BLZKTNMGYIYMRE-UHFFFAOYSA-N;124.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211414;MM211414;C=CC1CC1C(=C)OC;MOOGVFPHJDPVRN-UHFFFAOYSA-N;124.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211415;MM211415;C=C(OC)C1CC1C=O;GGVNJUOJLDNAIT-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211416;MM211416;C=C(OC)C1CC1C#N;WRYSGRGISQAKDU-UHFFFAOYSA-N;123.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211417;MM211417;C=CC1CC1C(=O)OC;NIKRQZZKLVNECO-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211418;MM211418;C=CC1NC1C(=C)CC;OWTVQMNZEHIVEQ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211419;MM211419;C=CC1NC1C(=C)CN;YYAMBQOHKRJQCR-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211420;MM211420;CC1CC(CO)=NO1;VESQBUPIOORQDE-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211421;MM211421;C=CC1NC1C(=C)CF;JMRLMCNGHHXAQF-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211422;MM211422;C#Cc1cc(N)n[nH]1;RQBHTEUXDZVYAX-UHFFFAOYSA-N;107.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211423;MM211423;C=C(CC)C1NC1C#N;UAXNPWJEAOVNOZ-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211424;MM211424;CC(=O)ON=C(C)CO;HTDBQXNHLGROPX-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211425;MM211425;C=C(CO)OCC=NN;LFBHCSYFTQOPCP-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211426;MM211426;CCNC(=O)C(=N)NO;PFDISNCBRLNPRL-UHFFFAOYSA-N;131.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211427;MM211427;C=NNC(C)C1(O)CC1;VSCCORBSHXRCRI-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211428;MM211428;CCCC(CO)=NOC;XVDRSCOHNVMBEE-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211429;MM211429;N#CC1NC1C(=O)CO;SREJPUSMYNKMRU-UHFFFAOYSA-N;126.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211430;MM211430;CON=C(C=CN)CO;OKKHLEWHTNVHSY-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211431;MM211431;C=NNC1CNC(=O)C1;SOCQJSNWKYZFKG-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211432;MM211432;C=CC1NC1C(=N)NC;ADACJVPIOJPMFW-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211433;MM211433;C=CC1NC1C(=N)NN;QHBZMFGIMYENHB-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211434;MM211434;CN=C(N)C1NC1C=O;CDIGPCQZHITJQQ-UHFFFAOYSA-N;127.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211435;MM211435;CNC(=N)C1NC1C#N;LDEQSYNVWFPCPK-UHFFFAOYSA-N;124.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211436;MM211436;C=NNC1CC(C)C1O;AUVMCTUWOYSCHL-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211437;MM211437;C=CC1NC1C(=C)OC;WJFDPSSRZPADRO-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211438;MM211438;C=C(OC)C1NC1C#N;YAIJBKFHLJSKCQ-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211439;MM211439;C=CC1NC1C(=O)OC;XBFCEAQPHIIMTM-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211440;MM211440;C#CC(CO)N=CNO;VFXCMYUPWWHUPU-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211441;MM211441;C=CC1OC1C(=C)CC;CBOFAJBJICFJAF-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211442;MM211442;C=CC1OC1C(=C)CN;YTOXORUAQGLWHW-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211443;MM211443;C=CC1OC1C(=C)CO;ZJQKHIUWKMEYCO-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211444;MM211444;C=CC1OC1C(=C)CF;HUIHHXYBCIFIRI-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211445;MM211445;C=C(CC)C1OC1C=O;PKYPPGFDXMXNJN-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211446;MM211446;C=CC1OC1C(=O)CF;KVQFRSNYLSXDBO-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211447;MM211447;CCC(=O)C1OC1C#N;LEUSDQLFKUPDJQ-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211448;MM211448;N#CC1OC1C(=O)CF;SPKQSYARPHSNCV-UHFFFAOYSA-N;129.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211449;MM211449;C=CC1OC1C(=N)NN;ORVQBHXJLRBPJX-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211450;MM211450;C=CC1OC1C(=O)NC;XTVSRIZFDXNPTE-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211451;MM211451;O=CC1OC1C(=O)NO;HSWFBVVDKRKUCY-UHFFFAOYSA-N;131.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211452;MM211452;N#CC1OC1C(=O)NO;SDHQLMNVYFICKP-UHFFFAOYSA-N;128.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211453;MM211453;C=CC1OC1C(=C)OC;CMQLSSHAPOKBGG-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211454;MM211454;COC(=O)C1OC1C#N;LJHUVMXACCGASU-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211455;MM211455;C=C(CC)C1CN1C=N;QNGWHPCLHBNSFL-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211456;MM211456;C=C(CN)C1CN1C=N;MLRFHSRIYCOOCU-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211457;MM211457;C=C(CO)C1CN1C=N;HARZAPSIOXURGM-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211458;MM211458;C=C(CC)C1CN1C=O;FFGZCVLKRWDDAX-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211459;MM211459;C=C(CN)C1CN1C=O;JZJAFQAUBKLAFJ-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211460;MM211460;C=C(CO)C1CN1C=O;FGGLTFUINMGVAE-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211461;MM211461;C=C(CF)C1CN1C=O;VYVBDCXDBFCWER-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211462;MM211462;CCC(=O)C1CN1C=N;BVFIWEJBADJSNU-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211463;MM211463;N=CN1CC1C(=O)CO;MSGLZDCIXVQXJE-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211464;MM211464;CN=C(NO)OCCO;GRMHDOSZXIMFEA-UHFFFAOYSA-N;134.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211465;MM211465;O=CN1CC1C(=O)CO;YNQTXCWSCDWSME-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211466;MM211466;O=CN1CC1C(=O)CF;YCFCXTFDQNIMHV-UHFFFAOYSA-N;131.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211467;MM211467;CNC(=N)C1CN1C=N;VVPRJSWMSWAVAE-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211468;MM211468;N=CN1CC1C(=N)NN;KZACYHBZDBRPIS-UHFFFAOYSA-N;127.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211469;MM211469;N=CN1CC1C(=N)NO;GUBJPLGDWXGVGW-UHFFFAOYSA-N;128.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211470;MM211470;CNC(=N)C1CN1C=O;HQQAIKIGVLTBNW-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211471;MM211471;N=C(NN)C1CN1C=O;WGGTXXMZDNXAQL-UHFFFAOYSA-N;128.14;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211472;MM211472;CNC(=O)C1CN1C=N;ZVKYAHOJHAOGIM-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211473;MM211473;N=CN1CC1C(=O)NN;UEKJRWFTWWOCGV-UHFFFAOYSA-N;128.14;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211474;MM211474;CNC(=O)C1CN1C=O;PIAWZKGZDFBDJL-UHFFFAOYSA-N;128.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211475;MM211475;NN=C(CO)CNC=O;HVJMTICROWDABG-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211476;MM211476;O=CN1CC1C(=O)NO;DPKCQOIKHCCACJ-UHFFFAOYSA-N;130.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211477;MM211477;C=C(OC)C1CN1C=N;FUXNYXBCQBPFSS-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211478;MM211478;C=C(OC)C1CN1C=O;PITZAIHXJXSEOY-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211479;MM211479;COC(=O)C1CN1C=O;DKTPRVSNRHULGZ-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211480;MM211480;C=NN1CC1C(=C)CC;IXVMEOWINVGMGA-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211481;MM211481;C=NN1CC1C(=C)CN;LHCVEUMKLODTMO-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211482;MM211482;NN=C(CO)COC=O;RFUORHKGLWCWOT-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211483;MM211483;C=NN1CC1C(=C)CF;AHNKLTCOVSGZEX-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211484;MM211484;CCC1CC(CO)=NO1;KJKVXPFDACPSDY-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211485;MM211485;CC1CCC(CO)=NO1;WHAZYGSNXNIYNF-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211486;MM211486;CC(C)(C)C=NOC(N)=O;DHBBVPPUMUTRSN-UHFFFAOYSA-N;144.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211487;MM211487;C=NN1CC1C(=N)NC;UVAKNNKYWKQXQE-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211488;MM211488;C=NN1CC1C(=N)NN;PJRUGFLFRNOWBD-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211489;MM211489;CC(C#N)=C(N)C(C)(C)O;MKSOBDVEEYAZMO-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211490;MM211490;CC(=NN)C(C)(F)C(N)=O;UWIDZPFHQYXFRT-UHFFFAOYSA-N;147.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211491;MM211491;C=NN1CC1C(=O)NO;YATHAGKSFWNFCZ-UHFFFAOYSA-N;129.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211492;MM211492;C=NN1CC1C(=C)OC;RGYAZKGHNPEPKC-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211493;MM211493;C=NN1CC1C(=O)OC;YWRSWNYHZPXROY-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211494;MM211494;C=CC1CN1C(=N)CC;IGMJRTOALDQEFC-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211495;MM211495;C=CC1CN1C(=N)CN;FIBNVIKZJRXUMU-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211496;MM211496;C=CC1CN1C(=N)CO;KWOVUVDOWYAZPE-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211497;MM211497;CCC(=N)N1CC1C=O;IKNNCZJVSMTLMT-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211498;MM211498;CCC(=N)N1CC1C#N;AOCVUPHOGJZKCW-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211499;MM211499;N=C(CO)N1CC1C=O;IAMCKJKGAGJYRX-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211500;MM211500;N#CC1CN1C(=N)CF;NBYJGFICXGSVOX-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211501;MM211501;C=CC1CN1C(=O)CC;FFNMYFFJBRYNMV-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211502;MM211502;C=CC1CN1C(=O)CO;QNTSDACQBWOHPG-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211503;MM211503;C=CC(O)CN(N)C(N)=O;WYPYLYUFPBRKMB-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211504;MM211504;CCC(=O)N1CC1C#N;UNBJMUJWOCCTEN-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211505;MM211505;N#CC1CN1C(=O)CO;KTENCZWKGQUYLF-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211506;MM211506;O=CC1CN1C(=O)CF;WBYWWMJKNRJPSW-UHFFFAOYSA-N;131.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211507;MM211507;N#CC1CN1C(=O)CF;BCKNOYLEEOKMAK-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211508;MM211508;C=CC1CN1C(=N)NC;XVUHTDULUXEDML-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211509;MM211509;C=CC1CN1C(=N)NN;BJAIMJDISYOHNF-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211510;MM211510;CNC(=N)N1CC1C=O;FIJGCZRQOZUQAQ-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211511;MM211511;CNC(=N)N1CC1C#N;YWJDLZZHBUPGNX-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211512;MM211512;C=CC1CN1C(=O)NC;NXXHQDBLPGFDCI-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211513;MM211513;C=CC1CN1C(=O)NO;AZVSCJOPPFNAJH-UHFFFAOYSA-N;128.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211514;MM211514;CON=C(C=C(C)C)CO;RZKGGYNWAXPULN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211515;MM211515;C=CC(=C)C1CC1C=C;NGDNGEFJFQRDMF-UHFFFAOYSA-N;120.2;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211516;MM211516;C=CC1CC1C(=C)C=O;GEVSWACFAZCHGN-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211517;MM211517;C=CC1CC1C(=C)C#N;JPIJGBOVOAKBEX-UHFFFAOYSA-N;119.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211518;MM211518;C=CC(=C)C1CC1C=O;XIUVKRALPSPZHE-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211519;MM211519;C=CC(=C)C1CC1C#N;OTEBZGQOCNIXIA-UHFFFAOYSA-N;119.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211520;MM211520;C=C(C#N)C1CC1C=O;OTQVUXIBZMSWMO-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211521;MM211521;C=C(C=O)C1CC1C#N;SSNJYNRKMUUGEI-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211522;MM211522;C=C(C#N)C1CC1C#N;FTFDJJUCSSBGLS-UHFFFAOYSA-N;118.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211523;MM211523;C=CC(=O)C1CC1C=C;GVBGECXTVCONHN-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211524;MM211524;C=CC1CC1C(=O)C=O;TXJJKRUKEGTTNI-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211525;MM211525;C=CC1CC1C(=O)C#N;GWIAUUFKCMEZGS-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211526;MM211526;C=CC(=O)C1CC1C=O;ROHMVSYBPOHUTJ-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211527;MM211527;C=CC(=O)C1CC1C#N;CSIUFZUVHOHMNT-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211528;MM211528;O=CC(=O)C1CC1C=O;POKHPXUDLZNJJD-UHFFFAOYSA-N;126.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211529;MM211529;N#CC1CC1C(=O)C=O;ISBGVXYNJPKHQF-UHFFFAOYSA-N;123.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211530;MM211530;N#CC(=O)C1CC1C=O;FGELJDCTSDVGFP-UHFFFAOYSA-N;123.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211531;MM211531;N#CC(=O)C1CC1C#N;CTGORQGVRHWCDI-UHFFFAOYSA-N;120.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211532;MM211532;C=CC(=C)C1NC1C=C;PEHZXUVMQZAKLY-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211533;MM211533;C=CC1NC1C(=C)C=O;ZIFYTAJWRXZCIM-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211534;MM211534;C=CC1NC1C(=C)C#N;PQNDFYNPKPSNHW-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211535;MM211535;C=CC(=C)C1NC1C#N;RSOXNUHSVWUGAH-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211536;MM211536;CCCCC=NOC(N)=O;JUELDYRLJUGPTM-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211537;MM211537;CC(CO)=NOC(=N)NN;GBVJREMIVVPNMK-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211538;MM211538;C=C(C=O)C1NC1C#N;FRGHPWLLOLWHDZ-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211539;MM211539;C=C(C#N)C1NC1C#N;NFNQWMZRNIJSEG-UHFFFAOYSA-N;119.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211540;MM211540;CC(CO)=NOC(C)=NN;GMCZZLDUWUWBMQ-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211541;MM211541;CC1(CO)COC(NN)=N1;CPRUPQAGCSZWEM-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211542;MM211542;CC(C)OCC(CO)=NN;MFJWIANQHZICMS-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211543;MM211543;C=C(C)OCC(CO)=NN;UYZVALLSYRGIQZ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211544;MM211544;CC(=O)OCC(CO)=NN;POQMVZCRIFZZMJ-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211545;MM211545;C#CC1(CO)CC(=O)CN1;OPLRXDCKVPYDDR-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211546;MM211546;N#CC(=O)C1NC1C#N;ALVPZAHFMQLGMU-UHFFFAOYSA-N;121.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211547;MM211547;C=CC(=C)C1OC1C=C;TVMYLZKNJYTPIQ-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211548;MM211548;C=CC1OC1C(=C)C=O;AQDXEAYDXXAFDS-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211549;MM211549;C=CC1OC1C(=C)C#N;QPZDZMRFPJSYHD-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211550;MM211550;C=CC(=C)C1OC1C#N;MBCBOLLAPBTAIX-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211551;MM211551;C=C(C#N)C1OC1C=O;DSDRKRBWRMRBEX-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211552;MM211552;C=C(C=O)C1OC1C#N;RQGBYBBJYDLRDK-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211553;MM211553;C=C(C#N)C1OC1C#N;ZJNUKBGANJWQCR-UHFFFAOYSA-N;120.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211554;MM211554;C=CC(=O)C1OC1C=C;DFIZYDQWHDICKL-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211555;MM211555;C=CC1OC1C(=O)C=O;JASWWMCTDGDHIL-UHFFFAOYSA-N;126.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211556;MM211556;C=CC1OC1C(=O)C#N;PUNYXDJMIIDYKB-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211557;MM211557;N#CC1OC1C(=O)C=O;VKDLEKUIUQCCTG-UHFFFAOYSA-N;125.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211558;MM211558;C=CC(=C)C1CN1C=N;QKDBICFILSESJN-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211559;MM211559;C=C(C=O)C1CN1C=N;STRLQZHFOVETOL-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211560;MM211560;C=C(C#N)C1CN1C=N;PYLGAJBZNALSDH-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211561;MM211561;C=CC(=C)C1CN1C=O;CGMAXNLYHQDEAS-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211562;MM211562;C=C(C=O)C1CN1C=O;IXMZWLWMEKHPGI-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211563;MM211563;C=C(C#N)C1CN1C=O;NOCIJKHGGQANBN-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211564;MM211564;C=CC(=O)C1CN1C=N;XXOHKTCOWCNMPK-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211565;MM211565;N=CN1CC1C(=O)C=O;TZZMHGGWCIJBTQ-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211566;MM211566;N#CC(=O)C1CN1C=N;YZMGCBKFRFWYMZ-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211567;MM211567;C#CCNC(=O)N(N)C=C;NRRSUZVBPYSLRG-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211568;MM211568;C=NN=CN(O)C(C)CO;XYVMYZYZWAWKIG-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211569;MM211569;C=NNCCOC(=C)CO;KKNIUZSKVODRNG-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211570;MM211570;C=CC(=C)C1CN1N=C;UYLZVXJXADLCGP-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211571;MM211571;C=NN1CC1C(=C)C#N;NVHWUANWIFTEEH-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211572;MM211572;C=NOCCOC(=C)CO;KOEOVQRWCISNLT-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211573;MM211573;C=C(CO)OCC=NNC;TYALVBKSFJJQKT-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211574;MM211574;CC(CO)=NOCCC=O;NMDHZQOKMKZBIK-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211575;MM211575;C=CC(=N)N1CC1C=C;DHOWEGWVQMIEAI-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211576;MM211576;C=CC1CN1C(=N)C=O;XBHNIXJMOLRLLA-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211577;MM211577;C=CC1CN1C(=N)C#N;XDZQYOICIAFLDB-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211578;MM211578;C=CC(=N)N1CC1C=O;GFRVYCSPJJXGSY-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211579;MM211579;C=CC(=N)N1CC1C#N;RDNCXCYCXVVCAO-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211580;MM211580;COCCC(CO)=NOC;HEIHAGBMRGLMQI-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211581;MM211581;CNN=C(CO)CNC=O;RGTIUPOORDPUPT-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211582;MM211582;N#CC1CN1C(=N)C=O;LPFZLVBTGDDSDQ-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211583;MM211583;N#CC(=N)N1CC1C#N;RYHOVHGOCRKGFI-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211584;MM211584;C=CC(=O)N1CC1C=C;SPFJCDBIWXJYHD-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211585;MM211585;C=CC1CN1C(=O)C=O;PQGSPZYZGNPBAB-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211586;MM211586;C=CC1CN1C(=O)C#N;JNKMWIYHHFRXOF-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211587;MM211587;C#CC=CC(CO)=NOC;QBKOBMFNLXMCAU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211588;MM211588;C=CC(=O)N1CC1C#N;RFCHZIMBNWAPIQ-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211589;MM211589;N#CC1CN1C(=O)C=O;SHGROQQATMJFGY-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211590;MM211590;N#CC(=O)N1CC1C#N;YRJUWGPQMAEEFW-UHFFFAOYSA-N;121.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211591;MM211591;C#CC(=C)C1CC1C=C;XPJXUDRFGZSRAY-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211592;MM211592;C#CC(=C)C1CC1C=O;RYIQZLVFDJOQRB-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211593;MM211593;C#CC(=C)C1CC1C#N;UOFAEVQSNPYOOW-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211594;MM211594;C#CC(=O)C1CC1C=C;HERMUUQJCHWROX-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211595;MM211595;C#CC(=O)C1CC1C=O;RDCYDGJLMMBXQG-UHFFFAOYSA-N;122.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211596;MM211596;C#CC(=O)C1CC1C#N;IXKOQFOMUVSFCT-UHFFFAOYSA-N;119.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211597;MM211597;C#CC(=C)C1NC1C=C;FXEFHAYGNFEPPU-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211598;MM211598;C#CCON(C=N)C(N)=O;NOIZEHWRLXFIIU-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211599;MM211599;C#CC(=C)C1NC1C#N;MWPSQRXLJWVXFA-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211600;MM211600;N=CN(OC=NN)C(N)=O;OCRQRDHDYSYPGJ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211601;MM211601;N=CN(N=CCF)C(N)=O;UHYVCKRKUILLBN-UHFFFAOYSA-N;146.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211602;MM211602;CCC(CO)C(CO)=NN;VHYUAYHMDYJIMA-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211603;MM211603;C#CC(=C)C1OC1C=C;JZSDPADPWUKKRF-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211604;MM211604;C#CC(=C)C1OC1C#N;ODRDTHGLHHGTDG-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211605;MM211605;C#CC(=O)C1OC1C=C;ROCREJKBXQZKLP-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211606;MM211606;C#CC(=O)C1OC1C=O;CJKRGZMQRBPROG-UHFFFAOYSA-N;124.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211607;MM211607;C#CC(=O)C1OC1C#N;XUWWJEKDIYPICU-UHFFFAOYSA-N;121.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211608;MM211608;C#CC(=C)C1CN1C=N;BJQCHBINWOFBEZ-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211609;MM211609;C#CC(=C)C1CN1C=O;XRULJWLHQSWZGR-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211610;MM211610;C#CC(=O)C1CN1C=N;XDUVVARTBQVYBK-UHFFFAOYSA-N;122.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211611;MM211611;C#CC(C#C)C(CO)=NN;RQFVFHKWZHGSDB-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211612;MM211612;C#CC(=C)C1CN1N=C;SMMSIBFPLZBVFL-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211613;MM211613;CCC=NNC(C#N)C=O;FILSGPPOEDDCJF-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211614;MM211614;C#CC(=N)N1CC1C=C;UNWAIESUKOPXIN-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211615;MM211615;C#CC(=O)N1CC1C=C;AXTJMGDNHFCDNJ-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211616;MM211616;C#CC(=O)N1CC1C#N;OIOMJMFVZJZABO-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211617;MM211617;C#CC1CC1C(=C)CC;KAPIPUVEDLVDBM-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211618;MM211618;C#CC1CC1C(=C)CN;GUOGUJGFGMVMMQ-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211619;MM211619;C#CC1CC1C(=C)CO;LWFSIQWEZOYPPW-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211620;MM211620;C#CC1CC1C(=C)CF;SZTKCKDPICQCLX-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211621;MM211621;C#CC1CC1C(=O)CC;CKNNVTJJXKOUIQ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211622;MM211622;C#CC1CC1C(=O)CO;SXCAEBDFVDTHAH-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211623;MM211623;C#CC1CC1C(=O)CF;YIVYYOZRMDVTQK-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211624;MM211624;C#CC1CC1C(=N)NC;QYIAHLHVRYNUDC-UHFFFAOYSA-N;122.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211625;MM211625;C#CC1CC1C(=N)NN;KZFPIQADGHFMQD-UHFFFAOYSA-N;123.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211626;MM211626;C#CC1CC1C(=N)NO;WJTZPWQPSUPANM-UHFFFAOYSA-N;124.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211627;MM211627;C#CC1CC1C(=C)OC;PSWPOUZDRYSPSC-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211628;MM211628;C#CC1CC1C(=O)OC;UWIXUVYYEOQGCP-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211629;MM211629;C#CC1NC1C(=C)CC;HZTRTKGUSVVGRM-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211630;MM211630;C#CC1NC1C(=C)CN;OZUHMGSAABZWHK-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211631;MM211631;CCCOCC(CO)=NN;VHKMHXWWYHSCRG-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211632;MM211632;COCOCC(CO)=NN;AWAUSTCXTQGXIE-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211633;MM211633;C=CCOCC(CO)=NN;WZOQWGVHXINABA-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211634;MM211634;C#CCOCC(CO)=NN;PLUPIERDRGIYGA-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211635;MM211635;C#CC1NC1C(=N)NC;GZOQCFABLJLGAS-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211636;MM211636;C#CC1NC1C(=N)NN;OSNHFPLYAFGCHE-UHFFFAOYSA-N;124.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211637;MM211637;CC=COCC(CO)=NN;DXPHOANRCQNPLT-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211638;MM211638;C#CC1NC1C(=C)OC;OKOCCELORGVHAB-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211639;MM211639;C#CC1OC1C(=C)CC;QPLVXSZALYKUJH-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211640;MM211640;C#CC1OC1C(=C)CN;TVDSVSBUQGDRDP-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211641;MM211641;C#CC1OC1C(=C)CO;TVAJUQNTZYAISH-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211642;MM211642;C#CC1OC1C(=C)CF;SVMMVWGWYAEAHO-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211643;MM211643;C#CC1OC1C(=O)CC;LYEYUTPHRUWWCA-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211644;MM211644;C#CC1OC1C(=O)CF;WOUYTQYAELAGFC-UHFFFAOYSA-N;128.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211645;MM211645;C#CC1OC1C(=N)NC;FAQOBYJXOYHXMB-UHFFFAOYSA-N;124.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211646;MM211646;C#CC1OC1C(=N)NN;KCPJJTPNVNRSPR-UHFFFAOYSA-N;125.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211647;MM211647;C#CC1OC1C(=O)NC;PBBKQJAGYTYHOT-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211648;MM211648;C#CC1OC1C(=C)OC;DPFGBRSQZZGRBY-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211649;MM211649;C#CC1OC1C(=O)OC;NNMLYDJOMYCYHT-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211650;MM211650;C#CC1CN1C(=N)CC;DGSXLMIZFNHHGI-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211651;MM211651;C#CC1CN1C(=N)CN;ONIMMTDQJRPMCW-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211652;MM211652;C#CC1CN1C(=N)CF;OPBOODDELCYMRA-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211653;MM211653;C#CC1CN1C(=O)CC;UXFZREVTPBTYAA-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211654;MM211654;C#CC1CN1C(=O)CO;BICKNEORKBSFPG-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211655;MM211655;C#CC1CN1C(=O)CF;FOWRGVFHSAIKRI-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211656;MM211656;C#CC1CN1C(=N)NC;GZGJPQQKVCYPJN-UHFFFAOYSA-N;123.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211657;MM211657;C#CC1CN1C(=N)NN;IBXTXNYYLVNBMP-UHFFFAOYSA-N;124.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-9.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211658;MM211658;C#CC1CN1C(=O)NC;WXZFWLSKNRAJTF-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211659;MM211659;C#CC1CN1C(=O)NO;DNBOOLAPONCOKV-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211660;MM211660;C#CC1CN1C(=N)OC;AIVVNTPOFLVXLT-UHFFFAOYSA-N;124.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211661;MM211661;C#CC1CN1C(=O)OC;CXUCECXWOQBMFN-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211662;MM211662;C#CC1CC1C(=C)C=C;VMTHEVGVRXKEKZ-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211663;MM211663;C#CC1CC1C(=C)C=O;HNRCOVQXATUPBK-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211664;MM211664;C#CC1CC1C(=C)C#N;QNFATGJLRKBTKY-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211665;MM211665;C#CC1CC1C(=O)C=C;KBJGBPGOYSLWFQ-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211666;MM211666;C#CC1CC1C(=O)C=O;PNNBIHNDTGITGO-UHFFFAOYSA-N;122.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211667;MM211667;C#CC1CC1C(=O)C#N;WZXCBDFAGNBLRH-UHFFFAOYSA-N;119.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211668;MM211668;C#CC1NC1C(=C)C=C;JJMBNCIYGHMUFT-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211669;MM211669;C#CC1NC1C(=C)C=O;DBEWGHQRYSWBTN-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211670;MM211670;C#CC1NC1C(=C)C#N;XIRCWAMTIIEFFA-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211671;MM211671;NN=C(CO)COC=CF;MLNSXZMZSNGXFY-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211672;MM211672;NN=COCC(CO)=NN;KOQKRGZULROEIC-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211673;MM211673;CCC(CO)=NOCC#N;NFKBBMDEELGNGS-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211674;MM211674;C#CC1OC1C(=C)C=C;IYSWBINOZKIKNU-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211675;MM211675;C#CC1OC1C(=C)C=O;BSQUYJSYTJAEEI-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211676;MM211676;C#CC1OC1C(=C)C#N;SKCPVOFGUBBHIC-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211677;MM211677;C#CC1OC1C(=O)C=C;IJHNRDWEZSEEKV-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211678;MM211678;C#CC1OC1C(=O)C=O;KEDFVXQGNSYQAW-UHFFFAOYSA-N;124.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211679;MM211679;C#CC1OC1C(=O)C#N;PDOUTLDRWAUFAY-UHFFFAOYSA-N;121.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211680;MM211680;C#CC1CN1C(=N)C=C;WZIQFYDBUSUNJN-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211681;MM211681;C#CC1CN1C(=N)C=O;SGJQNQFIAIEGSE-UHFFFAOYSA-N;122.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211682;MM211682;C#CC1CN1C(=N)C#N;SGDUDHHOBRZEMK-UHFFFAOYSA-N;119.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211683;MM211683;C#CC1CN1C(=O)C=C;NCDBDFQLBIYNOB-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211684;MM211684;C#CC1CN1C(=O)C=O;GSBJNVRHUONVNP-UHFFFAOYSA-N;123.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211685;MM211685;C#CC1CN1C(=O)C#N;PDQOBMFTYUDHOY-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211686;MM211686;C#CC(=C)C1CC1C#C;QUDMDKJAMAMTFR-UHFFFAOYSA-N;116.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211687;MM211687;C#CC(=O)C1CC1C#C;PGVKKUAILNQTBG-UHFFFAOYSA-N;118.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211688;MM211688;C#CC(=C)C1NC1C#C;NNMLGMCCBYWJQZ-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211689;MM211689;C#CCON=C(CC)CO;OVSCQCSMPMIBIZ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211690;MM211690;C#CC(=C)C1OC1C#C;VMZMRZNOEOEMCR-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211691;MM211691;C#CC(=O)C1OC1C#C;OWPGKJJEUUJBAB-UHFFFAOYSA-N;120.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211692;MM211692;C#CC(=O)N1CC1C#C;GAOSZOCRYNHSDW-UHFFFAOYSA-N;119.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211693;MM211693;CC=C(C)C1CC1CC;SMJATCUJMFGVFM-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211694;MM211694;CCC1CC1C(C)=CF;UMRONEAGSVFFQV-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211695;MM211695;CC=C(C)C1CC1CN;ZDUFFXMKKBJLLZ-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211696;MM211696;CC(=CF)C1CC1CN;GHSRFIOLSUQYMB-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211697;MM211697;C#CC(C#C)N(O)C=NC;VTTUUEINLBETCA-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211698;MM211698;CC=C(F)C1CC1CC;FVIZWOZHJBKGPJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211699;MM211699;CC=C(F)C1CC1CN;DHVRPYOIZCQDKQ-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211700;MM211700;CC=C(F)C1CC1CO;HJLIBJPEDVXCPW-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211701;MM211701;FC=C(F)C1CC1CF;DAFJJEYJYZQOIA-UHFFFAOYSA-N;136.12;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211702;MM211702;CCC1CC1C(C)=NN;FDFMESWXKDJDMP-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211703;MM211703;CCC1CC1C(C)=NO;LUOPARSEGLNTLP-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211704;MM211704;CC(=NO)C1CC1CN;QBFYJEKHBIWQAT-UHFFFAOYSA-N;128.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211705;MM211705;CC=C(C)C1CC1NC;QMFBSFVEBFHLHZ-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211706;MM211706;CNC1CC1C(C)=CF;BCPGQINEFBKQSH-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211707;MM211707;CC=C(F)C1CC1NC;DFAAQIFMSITNHP-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211708;MM211708;CNC1CC1C(F)=CF;OJCUIQVBLCYNKU-UHFFFAOYSA-N;133.14;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211709;MM211709;CNC1CC1C(C)=NN;PARYDKAPZUMEDL-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211710;MM211710;CNC1CC1C(C)=NO;QVEQDVDDNXVVJG-UHFFFAOYSA-N;128.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211711;MM211711;CC=C(C)C1CC1OC;DNTLITAPONAJIV-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211712;MM211712;CC=C(F)C1CC1OC;ZGIZDXPILJWMMC-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211713;MM211713;COC1CC1C(C)=NN;HGZVBZRKKXSLNZ-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211714;MM211714;CC=C(C)C1NC1CN;LBHBAQIRQBTYAJ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211715;MM211715;C=C(C)C1=CC(=NN)OC1;RAQYWYXDQXWCOB-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211716;MM211716;CC=NN1C=NC(=NC)C1;HFZOFIMFPYVTGU-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211717;MM211717;CC=C(F)C1NC1CC;FDLGIWJWUBKPML-UHFFFAOYSA-N;129.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211718;MM211718;CCC1NC1C(F)=CF;WHXZGIRWZFFZHO-UHFFFAOYSA-N;133.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211719;MM211719;CCC1NC1C(C)=NN;VHUJGEPPPSFKSQ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211720;MM211720;C=CCC1CC(CO)=NO1;VQCKNWMOHRHPFO-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211721;MM211721;CC(=NO)C1NC1CN;LAIHRDLHOITRID-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211722;MM211722;N#CCC1CC(CO)=NO1;SVXFXJYRHJFRNK-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211723;MM211723;CC(=NO)C1NC1CO;GAMXCVUGEOIYGV-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211724;MM211724;CC=C(C)C1OC1CC;FNCNCCKRGLTLKB-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211725;MM211725;CCC1OC1C(C)=CF;IHUJWZFYTHFEPE-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211726;MM211726;CC=C(C)C1OC1CN;HLAGYDDPIJMSDX-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211727;MM211727;CC=C(C)C1OC1CO;XKMYMRPWQRJYRA-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211728;MM211728;CC=C(C)C1OC1CF;WXFKDUVVELPNSO-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211729;MM211729;CCC1OC1C(C)=NN;RTPTXSYLLRXTIR-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211730;MM211730;CCN1CC1C(C)=CF;NDOJGVLNDDIEKN-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211731;MM211731;CC=C(F)C1CN1CC;BZXCLZDVMIKTNX-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211732;MM211732;CCN1CC1C(F)=CF;SLBBHUYGLBCVCZ-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211733;MM211733;CCN1CC1C(C)=NN;DFZNABBXRLUXIS-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211734;MM211734;CCN1CC1C(C)=NO;GFOLPLREYYJQHC-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211735;MM211735;CCC1CN1C(C)=NC;KSZMGIIZHOQKMK-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211736;MM211736;C#CCC1CC(CO)=NO1;DFTJGOJCJGRTIA-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211737;MM211737;CN=C(C)N1CC1CN;VPLACQLJEQOKKK-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211738;MM211738;CN=C(C)N1CC1CO;QRFPTNYSBXOCMC-UHFFFAOYSA-N;128.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211739;MM211739;C=NN=C1C=C(NC)CN1;NDAKYMRBBPOTKD-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211740;MM211740;O=CC=C1N=CC(CO)=N1;VDUZKDVYNVULHI-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211741;MM211741;C=CC1CC1C(C)=CC;FYUOUUNANGMUFH-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211742;MM211742;CC=C(C)C1CC1C=O;SSBLDUJDWOCUGM-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211743;MM211743;CC=C(C)C1CC1C#N;GSIKELHNZPKQDD-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211744;MM211744;C=CC1CC1C(F)=CC;KTLZHKPDOGGCAA-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211745;MM211745;C=CC1CC1C(F)=CF;XIIBQZBXQLRSOD-UHFFFAOYSA-N;130.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211746;MM211746;CC=C(F)C1CC1C#N;LOBGMCWSJQKCCG-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211747;MM211747;N#CC1CC1C(F)=CF;XFSWHOLYFNATMU-UHFFFAOYSA-N;129.11;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211748;MM211748;C=CC1CC1C(C)=NN;CPXQYEKQBFTOJA-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211749;MM211749;C=CC1CC1C(C)=NO;OUMSYJBPSSVDEI-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211750;MM211750;CC(=NO)C1CC1C=O;KQGQNSWRPHQCCV-UHFFFAOYSA-N;127.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211751;MM211751;CC(=NO)C1CC1C#N;FVTXZNOLRGQPKK-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211752;MM211752;C=CC1NC1C(C)=CC;CARHBNBVIAJTFZ-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211753;MM211753;C=CC1NC1C(C)=CF;VMKHYHYHCQFJID-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211754;MM211754;N#CC=C1N=CC(CO)=N1;NJKFAVOXOSJFAS-UHFFFAOYSA-N;135.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211755;MM211755;CC=C(C)C1NC1C#N;UPIFESCTRMNKKY-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211756;MM211756;CCCC1=CC(=NN)OC1;UACPMIXJQRZZRQ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211757;MM211757;CC(=CF)C1NC1C#N;FULFVBCLLBEPJI-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211758;MM211758;C=CC1NC1C(F)=CF;JZBOZZDQLIIGJP-UHFFFAOYSA-N;131.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211759;MM211759;N#CC1NC1C(F)=CF;UJQIXJXJSSNFMO-UHFFFAOYSA-N;130.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211760;MM211760;C=CC1NC1C(C)=NN;IJBSILIBDFHYBI-UHFFFAOYSA-N;125.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211761;MM211761;C=CC1NC1C(C)=NO;ZMMSFUNIGGIYPN-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211762;MM211762;CC(=NO)C1NC1C=O;XLDNCJQWFHOLDB-UHFFFAOYSA-N;128.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211763;MM211763;C=CC1OC1C(C)=CC;LGLWVPVGQJOWSW-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211764;MM211764;CC=C(C)C1OC1C=O;KEXAHNMSIUTLJX-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211765;MM211765;CC=C(C)C1OC1C#N;DNQPFNOOJYHCRC-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211766;MM211766;C=CC1OC1C(F)=CC;VZQYWNZYLYTUCW-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211767;MM211767;CC=C(F)C1OC1C=O;RCJSNZSVKFFBTH-UHFFFAOYSA-N;130.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211768;MM211768;O=CC1OC1C(F)=CF;YJVNIAOZQZLZGL-UHFFFAOYSA-N;134.08;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211769;MM211769;N#CC1OC1C(F)=CF;OHGCOLDGILJEPW-UHFFFAOYSA-N;131.08;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211770;MM211770;C=CC1OC1C(C)=NN;OSDWPRFYOZUWQH-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211771;MM211771;CC=C(C)C1CN1C=N;WBOONESYCWLCMQ-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211772;MM211772;CC(=CF)C1CN1C=N;UWMYEZMWCPSAKH-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211773;MM211773;CC=C(C)C1CN1C=O;MFHCYCNQNVDDHC-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211774;MM211774;CC(=CF)C1CN1C=O;XZPVEFYMVSYMMT-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211775;MM211775;CC=C(F)C1CN1C=N;MMHOURAFMGHNLE-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211776;MM211776;N=CN1CC1C(F)=CF;LOHKXKGPYMALPX-UHFFFAOYSA-N;132.11;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211777;MM211777;CC=C(F)C1CN1C=O;CTOBMFPTPAAINI-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211778;MM211778;O=CN1CC1C(F)=CF;WESHTYSAXQFCFX-UHFFFAOYSA-N;133.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211779;MM211779;CC(=NN)C1CN1C=N;QLZPULPOMLVWMH-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211780;MM211780;CC(=NO)C1CN1C=N;OCCCEUBFHKSMGT-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211781;MM211781;CC(=NN)C1CN1C=O;KCORNNRDQVCZEV-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211782;MM211782;CC(=NO)C1CN1C=O;BMZNBSBOWFNVTL-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211783;MM211783;C=NN1CC1C(C)=CC;QYQLWJSWELVLSH-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211784;MM211784;C=NN1CC1C(C)=CF;SOJFLPUNIVBCEY-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211785;MM211785;C=NN1CC1C(F)=CC;YLZHCMRYEVYDMF-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211786;MM211786;C=NN1CC1C(F)=CF;ZKXKALHWVFTVDB-UHFFFAOYSA-N;132.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211787;MM211787;C=NN1CC1C(C)=NN;FKTJHSMMCQZESY-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211788;MM211788;C=NN1CC1C(C)=NO;VVLKDPLZTRAKRF-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211789;MM211789;C=CC1CN1C(C)=NC;WDNZJPFRFQZJHY-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211790;MM211790;CCC1(O)CC1N1CC1C;MIOILAXZNBVEFL-UHFFFAOYSA-N;141.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211791;MM211791;CN=C(C)N1CC1C=O;LUQBWAPGOBVMTP-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211792;MM211792;CC(=NO)N1CC1C=O;SDZNASXBUYFSGP-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211793;MM211793;CC(=NO)N1CC1C#N;GJWWPKFLTXFKIA-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211794;MM211794;C#CC1CC1C(C)=CC;BMCCMMCDMRTPSX-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211795;MM211795;C#CC1CC1C(C)=CF;JWRFAJNRAOZUJJ-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211796;MM211796;C#CC1CC1C(F)=CC;KSKBLRJGWAAJRL-UHFFFAOYSA-N;124.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211797;MM211797;C#CC1CC1C(F)=CF;GAJLMBPSFIJUJR-UHFFFAOYSA-N;128.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211798;MM211798;C#CC1CC1C(C)=NN;SYVPLWNLRBOYJW-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211799;MM211799;C#CC1CC1C(C)=NO;SGJKRQVYCRQKRK-UHFFFAOYSA-N;123.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211800;MM211800;C#CC1NC1C(C)=CC;MNPKEGYPWSQADU-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211801;MM211801;C#CC1NC1C(C)=CF;WPNOJPYZHKTKBU-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211802;MM211802;C#CC1NC1C(C)=NN;VDTMRJABNKHIPU-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211803;MM211803;C#CC1NC1C(C)=NO;QUQAKGWGTQNMCZ-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211804;MM211804;C#CC1OC1C(C)=CC;VTGYSAANMLFKEE-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211805;MM211805;C#CC1OC1C(F)=CC;KNUMYCMQYCUKGF-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211806;MM211806;C#CC1OC1C(C)=NN;UWNCPNZKFHTUGC-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211807;MM211807;C#CC1CN1C(C)=NC;WZCCRTOLBAGDMX-UHFFFAOYSA-N;122.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211808;MM211808;C#CC1CN1C(C)=NO;DQBOUINANPJTEF-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211809;MM211809;N#CC#CC1CCCC1;FYKFKHKASTUFBO-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211810;MM211810;N#CC#CC1CCNC1;YUCFCGIINJCBOY-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211811;MM211811;C#CC#CC1CCCC1;AHTHRSKLVCWRCH-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211812;MM211812;C#CC#CC1CCNC1;UYXNYPALVXDJHM-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211813;MM211813;C#CC#CC1CCOC1;PDOJAJCOJYGXEA-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211814;MM211814;C#CC#CC1CCCN1;AMUWZSAEXMWKSV-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211815;MM211815;C=CC#CC1CC=CC1;XLXMVKKTGZSDJU-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211816;MM211816;N#CC#CC1CC=CC1;BITOUXNABIEIEP-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211817;MM211817;C#CC#CC1CC=CC1;LZCOWTPDDVKQLX-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211818;MM211818;C=Nn1ncc(CO)c1C;YISAGSAHHUQTNP-UHFFFAOYSA-N;139.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211819;MM211819;C#CC#CC1CC=CO1;FCSJOEOYFQZMBZ-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211820;MM211820;CCC1CCC(CO)=NO1;YTDAZLSEBDSHTE-UHFFFAOYSA-N;143.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211821;MM211821;CCON=c1occo1;KTGDXUMRPSHSBW-UHFFFAOYSA-N;129.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211822;MM211822;C=CC1CCC(CO)=NO1;VLRGBEXSBLMRNN-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211823;MM211823;CCON=c1ocno1;FVRUNXPPKWMUIG-UHFFFAOYSA-N;130.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211824;MM211824;CCNN=c1onno1;VGBFLOUPOCWTJJ-UHFFFAOYSA-N;130.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211825;MM211825;CCON=c1onno1;NVIVFCXLTDRLRP-UHFFFAOYSA-N;131.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211826;MM211826;O=CC1CCC(CO)=NO1;MFQSZENSZAPWQH-UHFFFAOYSA-N;143.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211827;MM211827;O=CNN=c1occo1;OALSLLOPSNHMRD-UHFFFAOYSA-N;128.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211828;MM211828;O=CON=c1occo1;JGSPYLXCMQTIFU-UHFFFAOYSA-N;129.07;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211829;MM211829;N#CC1CCC(CO)=NO1;OXZBHTHWXRMMJF-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211830;MM211830;O=CNN=c1ocno1;AOFYKNAAQUOGIA-UHFFFAOYSA-N;129.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211831;MM211831;O=CON=c1ocno1;JWGUJVBOXDQYMF-UHFFFAOYSA-N;130.06;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211832;MM211832;CCC1C=CC(CO)=NO1;PMJQJGPWPFJWQL-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211833;MM211833;O=CNN=c1onno1;LNEZPWSCRDBCMK-UHFFFAOYSA-N;130.06;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211834;MM211834;O=CON=c1onno1;MWHWPFWENSPWTQ-UHFFFAOYSA-N;131.05;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211835;MM211835;CC=NN=c1occo1;TUWCPWIEXIZNQE-UHFFFAOYSA-N;126.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211836;MM211836;CC=NN=c1ocno1;PDXCVHUDJFNHQF-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211837;MM211837;CC=NN=c1onno1;OHXNYQVYUUOBCT-UHFFFAOYSA-N;128.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211838;MM211838;CC#CC=C1CC=CC1;GKVJSUWQYVMFFP-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211839;MM211839;C=CC#CC1C=CCC1;XCLHHXMRRIGDEP-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211840;MM211840;N#CC#CC1C=CCC1;WAONVHBMOXCLAQ-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211841;MM211841;N#CC#CC1C=NNC1;INNDWUBVVMFIOM-UHFFFAOYSA-N;119.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211842;MM211842;N#CC#CC1C=COC1;HTYWQUGOHKDIEV-UHFFFAOYSA-N;119.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211843;MM211843;N#CC#CC1C=NOC1;PGGIKMGTNABIOS-UHFFFAOYSA-N;120.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211844;MM211844;C#CC#CC1C=CCC1;NYQNUKGBHQZWKH-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211845;MM211845;C#CC#CC1C=NNC1;ZMCVDFZDUONBSO-UHFFFAOYSA-N;118.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211846;MM211846;C#CC#CC1C=COC1;SJESIACPLQUWHQ-UHFFFAOYSA-N;118.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211847;MM211847;C#CC#CC1C=NOC1;MCBMORREDOVFFC-UHFFFAOYSA-N;119.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211848;MM211848;C#CC#CC1C=CCN1;VZAYNOSVGWETKI-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211849;MM211849;CC#CC=C1C=CCC1;WOVZBOSJUCKJRY-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211850;MM211850;C=CC#CC1C=CC=C1;KOTBYAHMVGTKMS-UHFFFAOYSA-N;116.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211851;MM211851;N#CC#CC1C=CC=C1;XCVSENRTIAIJRK-UHFFFAOYSA-N;115.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211852;MM211852;C#CC#CC1C=CC=C1;VWIVKNQESKDUTD-UHFFFAOYSA-N;114.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211853;MM211853;C#CC#CC1C=NN=C1;VVRFHWGFKBQQPY-UHFFFAOYSA-N;116.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211854;MM211854;CC#CC=C1C=CC=C1;RMYCOGUVNNNHCV-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211855;MM211855;CC#CC=C1C=NN=C1;DPDPMMQEOIUNJA-UHFFFAOYSA-N;118.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211856;MM211856;CCC#CC1=CCCC1;HOGKYLVJQHGJOC-UHFFFAOYSA-N;120.2;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211857;MM211857;CCC#CC1=COCC1;RLSRKOSQSXSHOQ-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211858;MM211858;CCC#CC1=CCNC1;JNVHDNVLYMHPIB-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211859;MM211859;C=CC#CC1=CCCC1;VPMHLZBTSDDRMO-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211860;MM211860;N#CC#CC1=CCCC1;VIKDXHGFOZSPGS-UHFFFAOYSA-N;117.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211861;MM211861;C=CC#CC1=COCC1;SZVIGCBLFYOZLM-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211862;MM211862;N#CC#CC1=COCC1;OKGRSVBAAMTRHM-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211863;MM211863;C=CC#CC1=CCNC1;MJJHGKJUORBEJT-UHFFFAOYSA-N;119.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211864;MM211864;N#CC#CC1=CCNC1;CKJKPPVSCWBYGV-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211865;MM211865;C=CC#CC1=CCOC1;ZYEDWZMMZGPQND-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211866;MM211866;N#CC#CC1=CCOC1;QGDWILJZCSYENC-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211867;MM211867;C=CC#CC1=NNCC1;ZHYHYAFGEOVVJO-UHFFFAOYSA-N;120.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211868;MM211868;N#CC#CC1=NNCC1;RMMDGZQZEDOSPT-UHFFFAOYSA-N;119.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211869;MM211869;C=CC#CC1=NOCC1;BPKFXVPEEAHKLT-UHFFFAOYSA-N;121.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211870;MM211870;N#CC#CC1=NOCC1;LTMMESTZGREASA-UHFFFAOYSA-N;120.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211871;MM211871;C=CC#CC1=CCCO1;XDNQEAXLZAZOFD-UHFFFAOYSA-N;120.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211872;MM211872;N#CC#CC1=CCCO1;BNZGCEOBFNPLKO-UHFFFAOYSA-N;119.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211873;MM211873;C=CC#CC1=COCO1;OOLGSBVTMXLZIA-UHFFFAOYSA-N;122.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211874;MM211874;N#CC#CC1=COCO1;KWKBMGFIGIXYFA-UHFFFAOYSA-N;121.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211875;MM211875;N#CC#CC1=NOCO1;YDPTVWDLSOIDFN-UHFFFAOYSA-N;122.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211876;MM211876;C#CC#CC1=CCCC1;DFHMCHFCICQNRH-UHFFFAOYSA-N;116.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211877;MM211877;C#CC#CC1=COCC1;BEIUTFWYKYGJKB-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211878;MM211878;C#CC#CC1=CCNC1;QPUUAGHGVWIJQP-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211879;MM211879;C#CC#CC1=CCOC1;OINYHVJHSMLWHT-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211880;MM211880;C#CC#CC1=NNCC1;UGMJPCLLLINYGI-UHFFFAOYSA-N;118.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211881;MM211881;C#CC#CC1=NOCC1;JSALGDIRBJZKBG-UHFFFAOYSA-N;119.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211882;MM211882;C#CC#CC1=CCCO1;AYQLVPKZVSEFHR-UHFFFAOYSA-N;118.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211883;MM211883;C#CC#CC1=COCO1;GDWFKVMOBRRKNZ-UHFFFAOYSA-N;120.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211884;MM211884;C#CC#CC1=NOCO1;RJUFSBDNLCPYBQ-UHFFFAOYSA-N;121.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211885;MM211885;CCC#CC1=CC=CC1;UCPUWVDGKPYXOX-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211886;MM211886;C=CC#CC1=CC=CC1;UATPGWMHMQTNDD-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211887;MM211887;N#CC#CC1=CC=CC1;HLWYVZWVNQQXQQ-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211888;MM211888;C=CC#CC1=NN=CC1;VQBPXXUWODZVNJ-UHFFFAOYSA-N;118.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211889;MM211889;N#CC#CC1=NN=CC1;ATTRCMRUCVKHEV-UHFFFAOYSA-N;117.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211890;MM211890;C=CC#Cc1ccc[nH]1;XMFRAHFKBYFRLP-UHFFFAOYSA-N;117.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211891;MM211891;N#CC#Cc1ccc[nH]1;UDYRHFZNNCOTDK-UHFFFAOYSA-N;116.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211892;MM211892;C=CC1C=CC(CO)=NO1;DRTOWZJHXYQXRN-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211893;MM211893;C=NOC1CC1O;QDEOIIOTKKYFJF-UHFFFAOYSA-N;101.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211894;MM211894;NN=C1C=CCO1;MEARPUVSYIDQBT-UHFFFAOYSA-N;98.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211895;MM211895;CN1CC1C1(O)CC1;QBQDQJJQLDWGSN-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211896;MM211896;CN1NCC(F)C1=O;QHJBZUIHYIBVNC-UHFFFAOYSA-N;118.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211897;MM211897;Nc1noc(F)c1N;AOSDFXRRVDJFHL-UHFFFAOYSA-N;117.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211898;MM211898;C=CC#Cc1nc[nH]n1;BWRDAFXUOFEYFC-UHFFFAOYSA-N;119.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211899;MM211899;N#CC#Cc1nc[nH]n1;BZEWKZKWRIXKRH-UHFFFAOYSA-N;118.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211900;MM211900;Cn1[nH]n(O)c(=O)c1=NN;JPMIZMLMWUQUNY-UHFFFAOYSA-N;145.12;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211901;MM211901;Nc1c(O)[nH]n(N)c1=O;MEDUPLUOLWAEBC-UHFFFAOYSA-N;130.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211902;MM211902;C=CC#Cc1ccco1;IGNRRYHQAHMFIX-UHFFFAOYSA-N;118.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211903;MM211903;N#CC#Cc1ccco1;GDIJGPZPJJHYJS-UHFFFAOYSA-N;117.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211904;MM211904;C=CC#Cc1cnco1;DFGPZVPTPXIOQP-UHFFFAOYSA-N;119.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211905;MM211905;N#CC#Cc1cnco1;VOYQAUDIJBEAOL-UHFFFAOYSA-N;118.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211906;MM211906;C=CC#Cc1ccno1;VYJYVZLSONPUTH-UHFFFAOYSA-N;119.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211907;MM211907;N#CC#Cc1ccno1;CHQJXTKWNDKJDA-UHFFFAOYSA-N;118.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211908;MM211908;C=CC#Cc1cnno1;FKZQSEGPRYXUJW-UHFFFAOYSA-N;120.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211909;MM211909;N#CC#Cc1cnno1;JJEWRUQRCCGYJC-UHFFFAOYSA-N;119.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211910;MM211910;N#CC#Cc1ncco1;SIWCMJXNTOITNY-UHFFFAOYSA-N;118.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211911;MM211911;N#CC#Cc1nnco1;MHMUNYKRROBXBQ-UHFFFAOYSA-N;119.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211912;MM211912;N#CC#Cc1ncno1;YVNNMYWCKAUOTP-UHFFFAOYSA-N;119.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211913;MM211913;N#CC#Cc1nnno1;KEEWBLORVCYNPT-UHFFFAOYSA-N;120.07;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211914;MM211914;C#CC#CC1=CC=CC1;CTPUOMBKUCJNGI-UHFFFAOYSA-N;114.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211915;MM211915;C#CC#CC1=NN=CC1;OIXGNAKDMAULPU-UHFFFAOYSA-N;116.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211916;MM211916;C#CC#Cc1ccc[nH]1;ZMWMFYMATQRNQX-UHFFFAOYSA-N;115.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211917;MM211917;Nc1[nH]cc(F)c1F;NFICXDHUDWSUQT-UHFFFAOYSA-N;118.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211918;MM211918;CC=NOC1CC1O;ORICKTGFGGYDSC-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211919;MM211919;CC1(C)NC(C#N)C1=O;CJQOARFYQOLPMW-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211920;MM211920;C#CC#Cc1nc[nH]n1;AEVBEPJDPRQKTF-UHFFFAOYSA-N;117.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211921;MM211921;CCc1n[nH]c(=N)o1;XHSTYRIUVMKGDX-UHFFFAOYSA-N;113.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211922;MM211922;C#CC#Cc1ccco1;WXOGAXGJGBIINK-UHFFFAOYSA-N;116.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211923;MM211923;C#CC#Cc1cnco1;NNCUOJZGZSWNKA-UHFFFAOYSA-N;117.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211924;MM211924;C#CC#Cc1ccno1;OSTLAUUDABKFAO-UHFFFAOYSA-N;117.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211925;MM211925;C#CC#Cc1cnno1;FBHIJJOIIOBOHW-UHFFFAOYSA-N;118.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211926;MM211926;C#CC#Cc1ncco1;PSUFBJQGLFPYAQ-UHFFFAOYSA-N;117.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211927;MM211927;C#CC#Cc1nnco1;XVSGRRGTYVLKGQ-UHFFFAOYSA-N;118.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211928;MM211928;C#CC#Cc1ncno1;UAIBUHMDLVLZGX-UHFFFAOYSA-N;118.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211929;MM211929;C#CC#Cc1nnno1;XRXJLTMHXXGMII-UHFFFAOYSA-N;119.08;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211930;MM211930;CCC#CC1=CCC=C1;FFNKLSKMWJXSNG-UHFFFAOYSA-N;118.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211931;MM211931;CCC#Cc1cc[nH]c1;CGFSXTWFEJZVBU-UHFFFAOYSA-N;119.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211932;MM211932;CCC#Cc1ccoc1;WHEVFGSAMOMLBM-UHFFFAOYSA-N;120.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211933;MM211933;CCCON=C(C)CO;VUIVGSXBMOUPSB-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211934;MM211934;CCC#Cc1cnoc1;JRZPSLVXLUEYCN-UHFFFAOYSA-N;121.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211935;MM211935;C=CC#CC1=CCC=C1;NVRMDONKALAZBQ-UHFFFAOYSA-N;116.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211936;MM211936;N#CC#CC1=CCC=C1;FUFPJLLHDCHKQG-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211937;MM211937;C=CC#Cc1cc[nH]c1;SXVIKOKAPDZAOU-UHFFFAOYSA-N;117.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211938;MM211938;N#CC#Cc1cc[nH]c1;SZDVIDSHODXZDZ-UHFFFAOYSA-N;116.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211939;MM211939;C=CC#Cc1ccoc1;YJJCZKMWXZXHBQ-UHFFFAOYSA-N;118.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211940;MM211940;N#CC#Cc1ccoc1;CXMITKHNCUEHRE-UHFFFAOYSA-N;117.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211941;MM211941;CC(CO)=NOCC#N;UQTUVLABJZOAMH-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211942;MM211942;CC(CO)N(O)C=NN;FXWGMZCIBNFXHK-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211943;MM211943;C=CC#Cc1cnoc1;LCEVJAVGBWUUBE-UHFFFAOYSA-N;119.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211944;MM211944;N#CC#Cc1cnoc1;CHGOCCHLHQIGNA-UHFFFAOYSA-N;118.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211945;MM211945;C=CC#Cc1ccon1;WOCKCCMJRMRDLZ-UHFFFAOYSA-N;119.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211946;MM211946;N#CC#Cc1ccon1;HVVWMMIBOYZVKN-UHFFFAOYSA-N;118.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211947;MM211947;C=CC#Cc1c[nH]nn1;ZTAKYYVWJSILAD-UHFFFAOYSA-N;119.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211948;MM211948;N#CC#Cc1c[nH]nn1;VVKQBNJWCKQACG-UHFFFAOYSA-N;118.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211949;MM211949;C=CC#Cc1cnon1;NUHRBEIJBSTVEX-UHFFFAOYSA-N;120.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211950;MM211950;N#CC#Cc1cnon1;QHDBCPZRJAWOFK-UHFFFAOYSA-N;119.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211951;MM211951;C=CC#Cc1cocn1;JQPZXAMFVOEVJP-UHFFFAOYSA-N;119.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211952;MM211952;N#CC#Cc1cocn1;IBZGIZZTGRTTHI-UHFFFAOYSA-N;118.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211953;MM211953;C=CC#Cc1conn1;IXRAPVDQUTVBCG-UHFFFAOYSA-N;120.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211954;MM211954;N#CC#Cc1conn1;CCGWAHOMCROUBR-UHFFFAOYSA-N;119.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211955;MM211955;C=CC#Cc1ncon1;LNEOBIJGFKZTSP-UHFFFAOYSA-N;120.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211956;MM211956;N#CC#Cc1ncon1;BKZBUEFWFDBQQJ-UHFFFAOYSA-N;119.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211957;MM211957;CCCc1n[nH]c(=N)o1;ONPGEOZWSJOTMY-UHFFFAOYSA-N;127.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211958;MM211958;O=c1nc(O)on1C=CF;XYEKMKJEBSEGOX-UHFFFAOYSA-N;146.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211959;MM211959;N#CC#Cc1nnon1;IUSIFHQZKMQTFM-UHFFFAOYSA-N;120.07;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211960;MM211960;C#CC#CC1=CCC=C1;XSDBWGYVKBIYFV-UHFFFAOYSA-N;114.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211961;MM211961;C#CC#Cc1cc[nH]c1;NHOYRWRALKJJTA-UHFFFAOYSA-N;115.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211962;MM211962;C#CC#Cc1ccoc1;RMKRKEXABYIFPX-UHFFFAOYSA-N;116.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211963;MM211963;C=NNC1=NCC(O)C1;DHUPVLMAHSGUHM-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211964;MM211964;C#CC#Cc1cnoc1;PPEDFRPQZZBBEK-UHFFFAOYSA-N;117.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211965;MM211965;C#CC#Cc1ccon1;NONOPZNICQQNKM-UHFFFAOYSA-N;117.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211966;MM211966;C#CC#Cc1c[nH]nn1;WLEGZXTWFZOZMI-UHFFFAOYSA-N;117.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211967;MM211967;C#CC#Cc1cnon1;FMORKLZSHMVVQL-UHFFFAOYSA-N;118.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211968;MM211968;C#CC#Cc1cocn1;ZWFUQWXQZBSZGW-UHFFFAOYSA-N;117.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211969;MM211969;C#CC#Cc1conn1;RDSYCKBEKZYPRO-UHFFFAOYSA-N;118.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211970;MM211970;C#CC#Cc1ncon1;FGUWESJFVIKGOA-UHFFFAOYSA-N;118.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211971;MM211971;NN=c1[nH]c(=O)n(C=O)o1;OIXHOANHFXTSGL-UHFFFAOYSA-N;144.09;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211972;MM211972;C#CC#Cc1nnon1;WGAPESQLHDHXAB-UHFFFAOYSA-N;119.08;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211973;MM211973;CCC(C)C1C(C)C1C;BOORRKCNKPEMFJ-UHFFFAOYSA-N;126.24;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211974;MM211974;CC(CN)C1C(C)C1C;VAFFKMHHFZGBGA-UHFFFAOYSA-N;127.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211975;MM211975;C=COc1cnc(N)o1;YPPZJIGEHLZGDO-UHFFFAOYSA-N;126.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211976;MM211976;CC(CF)C1C(C)C1C;GZXZUWQVPSNVNJ-UHFFFAOYSA-N;130.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211977;MM211977;CCC(N)C1C(C)C1C;GQVFVHILOYOYIJ-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211978;MM211978;CC1C(C)C1C(N)CN;VIWGGRWGNGNGEF-UHFFFAOYSA-N;128.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211979;MM211979;CC1C(C)C1C(N)CO;HSDBPXQLKMQXHP-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211980;MM211980;CC1C(C)C1C(N)CF;VFKVKFHAMAXKIS-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211981;MM211981;CC1C(N2CC2)C1(C)O;FMCYJTRBLGUUKF-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211982;MM211982;CC1C(C)C1C(O)CN;PBDBRXBCXQGJJL-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211983;MM211983;CC1C(C)C1C(O)CO;UBHDQCMXDBVAAU-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211984;MM211984;CC1C(C)C1C(O)CF;JFZHHDRDQQUNGY-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211985;MM211985;CCC(F)C1C(C)C1C;JKAUFCRGHKICSA-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211986;MM211986;CC1C(C)C1C(F)CN;FAFROYPMJLWYDC-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211987;MM211987;CC1C(C)C1C(F)CO;WRTLWOKHSXCWAQ-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211988;MM211988;CC1C(C)C1C(F)CF;FHGGGGKNQGRHMD-UHFFFAOYSA-N;134.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211989;MM211989;CCC(C)C1C(C)C1N;JXRJYYDEZBYJST-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211990;MM211990;CC(CN)C1C(C)C1N;OANYHRRHNLIOQG-UHFFFAOYSA-N;128.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211991;MM211991;CC(CO)C1C(C)C1N;ILOIGPHXVITEMQ-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211992;MM211992;CC(CF)C1C(C)C1N;HKHFVNPRVARTJZ-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211993;MM211993;CCC(N)C1C(C)C1N;SRJQWJVTIDKFOR-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211994;MM211994;CC1C(N)C1C(N)CN;ZMEXILPORAHUOC-UHFFFAOYSA-N;129.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211995;MM211995;CC1C(N)C1C(N)CO;ANQHNLINLAVYNC-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211996;MM211996;CC1C(N)C1C(N)CF;XHFCRCRYJYDKIY-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211997;MM211997;CCC(O)C1C(C)C1N;HMPLJGMEURCAIT-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211998;MM211998;CC1C(N)C1C(O)CN;VPBUJEKEAYZKKM-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM211999;MM211999;CC1C(N)C1C(O)CO;PNHBAMRMJZPOIV-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212000;MM212000;CCC(F)C1C(C)C1N;FEXYQKDONHABAD-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212001;MM212001;CC1C(N)C1C(F)CN;XKXSFLBTWCASAA-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212002;MM212002;CC1C(N)C1C(F)CO;LATZJGHUUIWCPB-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212003;MM212003;C=C1C(=N)NN=C1CO;KRTRLVANLAVUPZ-UHFFFAOYSA-N;125.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212004;MM212004;CC(CN)C1C(C)C1O;GKHPFWCUFCKKLG-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212005;MM212005;CC(CF)C1C(C)C1O;YYCFXMHQXVVFCC-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212006;MM212006;CCC(N)C1C(C)C1O;KIYKJNDWFLWMFR-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212007;MM212007;CC1C(O)C1C(N)CN;ZHAQTFJYEMOZJH-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212008;MM212008;CC1C(O)C1C(N)CO;KTIMNSCJSJWZMK-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212009;MM212009;CC1C(O)C1C(O)CN;YWDWFOMSTYAQNX-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212010;MM212010;CC1C(O)C1C(O)CO;WEZUREMJPFXBNB-UHFFFAOYSA-N;132.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212011;MM212011;CC1C(O)C1C(F)CN;DKXPMSCLNBGSHX-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212012;MM212012;CC1C(O)C1C(F)CO;DBODKTZNMGJHSA-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212013;MM212013;CCC(C)C1C(C)C1F;IGCKZLIGEVUEPN-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212014;MM212014;CC(CN)C1C(C)C1F;ZWACQFAEKHDESV-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212015;MM212015;CCC(N)C1C(C)C1F;ZZVOSKCDXSRSNC-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212016;MM212016;CC1C(F)C1C(N)CN;CVKLGTTZIISBID-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212017;MM212017;CC1C(F)C1C(N)CF;CBDDVXVIIUECCB-UHFFFAOYSA-N;135.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212018;MM212018;CC1C(F)C1C(F)CN;MUIANOHXCYCLPM-UHFFFAOYSA-N;135.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212019;MM212019;CCC(C)C1C(N)C1N;LZFKZAGGKFUYDC-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212020;MM212020;CC(CN)C1C(N)C1N;JTNPKPLTEZGGST-UHFFFAOYSA-N;129.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212021;MM212021;CC(CO)C1C(N)C1N;JDVQEFVQWQKQRZ-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212022;MM212022;CCC(N)C1C(N)C1N;AFJWCQAOEBMKNA-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212023;MM212023;NC(CO)C1C(N)C1N;OYDUBVDNXLZFPO-UHFFFAOYSA-N;131.18;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212024;MM212024;NCC(O)C1C(N)C1N;PAWSQRCTOYQHNO-UHFFFAOYSA-N;131.18;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212025;MM212025;NC1C(N)C1C(O)CO;JAZOOTLSXOXBCH-UHFFFAOYSA-N;132.16;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212026;MM212026;NC1C(N)C1C(O)CF;HVLYLFWJIQIWIL-UHFFFAOYSA-N;134.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212027;MM212027;NC1C(N)C1C(F)CO;AWYAYVCEKGIHCB-UHFFFAOYSA-N;134.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212028;MM212028;NC1C(N)C1C(F)CF;AMQLXOSLGIXJPJ-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212029;MM212029;CCC(C)C1C(N)C1O;NMAWDHPDHAXYQL-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212030;MM212030;CC(CN)C1C(N)C1O;JLLOISXXMHBRJJ-UHFFFAOYSA-N;130.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212031;MM212031;CC(CO)C1C(N)C1O;MTOJOPNPIFSXQO-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212032;MM212032;CCC(N)C1C(N)C1O;FNMLUMLWDAYUBL-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212033;MM212033;NCC(N)C1C(N)C1O;KVPSGKUOKNTWED-UHFFFAOYSA-N;131.18;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212034;MM212034;NC(CO)C1C(N)C1O;CGXGFFUAINLJPF-UHFFFAOYSA-N;132.16;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212035;MM212035;CCC(O)C1C(N)C1O;BJAYNMFLDODKDA-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212036;MM212036;NC1C(O)C1C(O)CF;XMNQDDNVVINICN-UHFFFAOYSA-N;135.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212037;MM212037;NC1C(O)C1C(F)CO;VIRIMNXOJZWSGJ-UHFFFAOYSA-N;135.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212038;MM212038;NC1C(O)C1C(F)CF;CJTYBNPHJDSPNA-UHFFFAOYSA-N;137.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212039;MM212039;CCC(C)C1C(N)C1F;MADPWANRLDCXQZ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212040;MM212040;CC(CN)C1C(N)C1F;DKBMQVHQSOWGDN-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212041;MM212041;CC(CF)C1C(N)C1F;YDMWZPMNSLQIRU-UHFFFAOYSA-N;135.16;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212042;MM212042;NC(CF)C1C(N)C1F;ZFSHDCARLIPPSM-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212043;MM212043;NCC(O)C1C(N)C1F;SLNVZDFZVDAEAL-UHFFFAOYSA-N;134.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212044;MM212044;NCC(F)C1C(N)C1F;XIHHEZRONAORNF-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212045;MM212045;CC(CN)C1C(O)C1O;AHKQXEJXKDKWOD-UHFFFAOYSA-N;131.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212046;MM212046;CCC(N)C1C(O)C1O;ZNJSUVBEQHCFKN-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212047;MM212047;NC(CF)C1C(O)C1O;NJADFMWUWLZKCH-UHFFFAOYSA-N;135.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212048;MM212048;NCC(O)C1C(O)C1O;PGCHSSVCCHJRBR-UHFFFAOYSA-N;133.15;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212049;MM212049;OCC(O)C1C(O)C1O;IYILBDAYPWBYHV-UHFFFAOYSA-N;134.13;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212050;MM212050;CC(CN)C1C(O)C1F;BGONAEGCOKDFCP-UHFFFAOYSA-N;133.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212051;MM212051;CNC(C)C1C(C)C1C;JYBJNFHKMVTJFQ-UHFFFAOYSA-N;127.23;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212052;MM212052;CNC(C)C1C(C)C1N;IUOFHOSJPUXIOW-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212053;MM212053;CNC(C)C1C(C)C1O;PKGBNTJYDXWHDB-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212054;MM212054;CNC(C)C1C(C)C1F;YROJNANJSMTWFV-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212055;MM212055;CNC(C)C1C(N)C1N;JPBBQEQYXFOUEU-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212056;MM212056;CNC(C)C1C(N)C1O;SLIIEFGHEVQCAS-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212057;MM212057;CNC(C)C1C(N)C1F;VVEXQOUHMAEKLP-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212058;MM212058;CNC(C)C1C(O)C1O;OQJWNNPCBWERHW-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212059;MM212059;CNC(C)C1C(O)C1F;IOUWLXAPCHAEQP-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212060;MM212060;COC(C)C1C(C)C1C;SPPBLGABRUVGMN-UHFFFAOYSA-N;128.22;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212061;MM212061;COC(C)C1C(C)C1F;OKGYPRIDAZQJGT-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212062;MM212062;COC(C)C1C(O)C1O;AEEYMWPEOFOXNS-UHFFFAOYSA-N;132.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212063;MM212063;COC(C)C1C(O)C1F;ALJNGNWTFFEJEL-UHFFFAOYSA-N;134.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212064;MM212064;CCN(C)C1C(C)C1C;TVTKEDQGWPIUEV-UHFFFAOYSA-N;127.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212065;MM212065;CCN(C)C1C(C)C1N;ZXECDTMCRAPNAW-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212066;MM212066;CCN(C)C1C(C)C1O;CCQCCAYHQCEGOM-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212067;MM212067;CCN(C)C1C(N)C1N;MDRHHJMDAITGLB-UHFFFAOYSA-N;129.21;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212068;MM212068;CCN(C)C1C(N)C1O;BZTUPVXTXIRGHL-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212069;MM212069;CC(CN)C1C(C)N1C;LPRCMQFGJMUVEE-UHFFFAOYSA-N;128.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212070;MM212070;CCC(N)C1C(C)N1C;VWICNXKQGIOXFO-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212071;MM212071;CC1C(C(N)CN)N1C;ONAZLSHSMGMVRA-UHFFFAOYSA-N;129.21;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212072;MM212072;CC1C(C(N)CO)N1C;BMZTYHPDNMCCJJ-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212073;MM212073;CC1C(C(O)CN)N1C;HGQNSTIRMVJSCI-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212074;MM212074;CNc1noc(F)c1N;BDRJFKSKYHUZTI-UHFFFAOYSA-N;131.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212075;MM212075;CCC(F)C1C(C)N1C;DXXYDEBIJFTLJW-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212076;MM212076;CC1C(C(F)CN)N1C;GZTBLXOLFAUJHW-UHFFFAOYSA-N;132.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212077;MM212077;CC1C(C(F)CF)N1C;KPKIMHOVHGUYSB-UHFFFAOYSA-N;135.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212078;MM212078;CNC(C)C1C(C)N1C;JKEIDAHVDWYRLZ-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212079;MM212079;COC(C)C1C(C)N1C;YHXAWHGUZRVYKQ-UHFFFAOYSA-N;129.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212080;MM212080;CC(CN)N1C(C)C1C;OBUDSGQRBDSADA-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212081;MM212081;CC(CF)N1C(C)C1C;IMLWUDLGKXTNRP-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212082;MM212082;C=CC(C)C1C(C)C1C;FCLAJUVLWSXJQW-UHFFFAOYSA-N;124.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212083;MM212083;CC(C=O)C1C(C)C1C;ZEHCIVORHDTRNK-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212084;MM212084;CC(C#N)C1C(C)C1C;LTYKDNSAYRWVNR-UHFFFAOYSA-N;123.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212085;MM212085;C=CC(N)C1C(C)C1C;WLPBTSVDKINUBM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212086;MM212086;Nn1ccc(CO)c1F;UTERZOOUYBQFIK-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212087;MM212087;CC1C(C)C1C(O)C=O;RPGLNSLNSNVEMH-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212088;MM212088;CC1C(C)C1C(O)C#N;QCMDZXXYRAEKMC-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212089;MM212089;C=CC(F)C1C(C)C1C;HFEBGSTXPRDPGK-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212090;MM212090;CC1C(C)C1C(F)C=O;XMOPFRFMNTVBDG-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212091;MM212091;CC1C(C)C1C(F)C#N;FAKVAUDUDCHAJA-UHFFFAOYSA-N;127.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212092;MM212092;C=CC(C)C1C(C)C1N;TVSRSFFKNSLQEN-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212093;MM212093;C=CC(N)C1C(C)C1N;CSVSIARROPRMQX-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212094;MM212094;C=CC(O)C1C(C)C1N;KKFWQBFJKFZAHQ-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212095;MM212095;C=CC(F)C1C(C)C1N;GBAJQVSSZHYXST-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212096;MM212096;COC=NOC1CC1O;IGFPDHXXNIPTIA-UHFFFAOYSA-N;131.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212097;MM212097;CC(C=O)C1C(C)C1O;RURSPQYZPWOIOE-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212098;MM212098;CC(C#N)C1C(C)C1O;LKYVCJPFUFMFKN-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212099;MM212099;C=CC(N)C1C(C)C1O;LGKSCUMESCSPKO-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212100;MM212100;C=CC(O)C1C(C)C1O;QUNULXXCRZFGIO-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212101;MM212101;CC1C(O)C1C(O)C=O;KGIPZDVESAGUJQ-UHFFFAOYSA-N;130.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212102;MM212102;CC1C(O)C1C(O)C#N;UIDIYXHORGQWFJ-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212103;MM212103;C=CC(F)C1C(C)C1O;URFYFWWOFBKESS-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212104;MM212104;CC1C(O)C1C(F)C#N;VDIJKEMBXYXXEX-UHFFFAOYSA-N;129.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212105;MM212105;C=CC(C)C1C(C)C1F;JOCQRMQNSKCYFT-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212106;MM212106;CC(C=O)C1C(C)C1F;AMDYHFAFFZOYTJ-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212107;MM212107;CC(C#N)C1C(C)C1F;OFUBLNMOKUJNQV-UHFFFAOYSA-N;127.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212108;MM212108;C=CC(N)C1C(C)C1F;RBBAJJFEWYVXFM-UHFFFAOYSA-N;129.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212109;MM212109;C=CC(O)C1C(C)C1F;PXNBWZQXQHVGIF-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212110;MM212110;CC1C(F)C1C(O)C=O;IRIYCOYELPSRGO-UHFFFAOYSA-N;132.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212111;MM212111;CC1C(F)C1C(O)C#N;HMSQVJUTBLLRHS-UHFFFAOYSA-N;129.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212112;MM212112;C=CC(F)C1C(C)C1F;GVOHESOSKPMXHR-UHFFFAOYSA-N;132.15;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212113;MM212113;CC1C(F)C1C(F)C#N;KRHRHDFMTJMKQM-UHFFFAOYSA-N;131.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212114;MM212114;C=CC(C)C1C(N)C1N;JJXJOKSYANDTGN-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212115;MM212115;C=CC(N)C1C(N)C1N;JCRNHFQZQGPFNL-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212116;MM212116;C=CC(O)C1C(N)C1N;IRKMMGWLRCVJMQ-UHFFFAOYSA-N;128.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212117;MM212117;C=CC(F)C1C(N)C1N;YKDYBFXGHCNDNZ-UHFFFAOYSA-N;130.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212118;MM212118;C=CC(C)C1C(N)C1O;AWAMNYGSKKZZGY-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212119;MM212119;C=CC(N)C1C(N)C1O;XQJPIWQVPUOQIJ-UHFFFAOYSA-N;128.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212120;MM212120;C=CC(O)C1C(N)C1O;ISNANNFOJVMRIT-UHFFFAOYSA-N;129.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212121;MM212121;C=CC(N)C1C(N)C1F;FMQPCLWUNYXNJL-UHFFFAOYSA-N;130.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212122;MM212122;CC(C#N)C1C(O)C1O;WXDAPMZCSFOONW-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212123;MM212123;O=CC(O)C1C(O)C1O;LWISLMXOQOHTIP-UHFFFAOYSA-N;132.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212124;MM212124;N#CC(O)C1C(O)C1O;MEYHWDSCKCKNPK-UHFFFAOYSA-N;129.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212125;MM212125;C=CC(F)C1C(O)C1O;WJAHXZLMWGWXPS-UHFFFAOYSA-N;132.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212126;MM212126;C=CC(C)C1C(O)C1F;ZZNMBVJVKSZHED-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212127;MM212127;C=CC(N)C1C(O)C1F;DYOXLJLJXPGQGS-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212128;MM212128;CC(C#N)C1C(F)C1F;SWCKJQMPZCBJMR-UHFFFAOYSA-N;131.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212129;MM212129;CC1C(C)C1N(C)C=N;UQPRQTVKSDZNLC-UHFFFAOYSA-N;126.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212130;MM212130;CC1C(C)C1N(C)C=O;YQLYQIXWWNDEPJ-UHFFFAOYSA-N;127.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212131;MM212131;CC1C(C)C1N(N)C=N;LGZJOQHDTMWDDC-UHFFFAOYSA-N;127.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212132;MM212132;CC1C(C)C1N(N)C=O;ALNKVEBUHPAPOX-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212133;MM212133;CC1C(N)C1N(C)C=N;ABTFIGBZXSSZLG-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212134;MM212134;CC1C(N)C1N(C)C=O;NIKLXIOSKRDQBU-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212135;MM212135;CC1C(O)C1N(C)C=N;KONICUWRIOKBBA-UHFFFAOYSA-N;128.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212136;MM212136;CC1C(O)C1N(N)C=N;CLCIPIPAJGXALF-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212137;MM212137;C=NN1C=NC(=NN)C1;GRYFHJMPVYTOIQ-UHFFFAOYSA-N;125.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212138;MM212138;C=NN(C)C1C(C)C1C;IZRUYFHLQOOXRG-UHFFFAOYSA-N;126.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212139;MM212139;C=NN(C)C1C(C)C1N;YSGJFXVTCPYMJE-UHFFFAOYSA-N;127.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212140;MM212140;CC(CO)=NOC1CC1;WFKZHQZPTWPPKY-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212141;MM212141;CCC1(O)CC1N1CC1;SJMIDRNSCSMJEC-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212142;MM212142;CC(C#N)C1C(C)N1C;RXMUBGVYWJAJBU-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212143;MM212143;C=CC(N)C1C(C)N1C;QQRVCGASNHSRTO-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212144;MM212144;CC(CO)=NOC(C)(C)C;FYGDERYMIHZBBB-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212145;MM212145;CNN=C(N)C#CC(N)=O;WNTOAXUSRIQDGU-UHFFFAOYSA-N;140.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212146;MM212146;CC(CO)=NOCC(C)C;JBYQZMVFERQLJJ-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212147;MM212147;C=CC(F)C1C(C)N1C;ZHZUGFJFCVIPTJ-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212148;MM212148;CC(CO)=NOCC(C)F;MVCKPARQOKZEKF-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212149;MM212149;CC1C(C(F)C#N)N1C;VTIFAGSUWLWGKD-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212150;MM212150;CC(CO)=NOCC(F)F;DBFYJJKTSDOMSQ-UHFFFAOYSA-N;153.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212151;MM212151;CC(C#N)N1C(C)C1C;IRPZWZSAFNZPES-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212152;MM212152;CC1C(C)N1N(C)C=N;QCRAKALGKGSTQS-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212153;MM212153;CC1C(C)N1N(C)C=O;VBMMSKZVHOTOSP-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212154;MM212154;C#CC(C)C1C(C)C1C;RAMALJVBSYALRF-UHFFFAOYSA-N;122.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212155;MM212155;C#CC(N)C1C(C)C1C;FXUKGULWBWORSB-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212156;MM212156;C#CC(O)C1C(C)C1C;ZEUAMLAWUCCRNS-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212157;MM212157;C#CC(F)C1C(C)C1C;BZMULOOUPYCFEF-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212158;MM212158;C#CC(C)C1C(C)C1N;AOGJNEACQSKNDG-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212159;MM212159;C#CC(N)C1C(C)C1N;DTSHNFJPJQNPMU-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212160;MM212160;C#CC(O)C1C(C)C1N;MNWFZIZFODFMDM-UHFFFAOYSA-N;125.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212161;MM212161;C#CC(F)C1C(C)C1N;OAKGMYGLDPFZPA-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212162;MM212162;C=C(C)CON=C(C)CO;WUUOZQNJGZDVRK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212163;MM212163;C#CC(N)C1C(C)C1O;MRAJBIGHVMIEKM-UHFFFAOYSA-N;125.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212164;MM212164;C#CC(F)C1C(C)C1O;VELQESMBZDVVJT-UHFFFAOYSA-N;128.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212165;MM212165;C#CC(C)C1C(C)C1F;WQZIDXVMWKMAJI-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212166;MM212166;C#CC(O)C1C(C)C1F;QYWQYTLIMVLMOA-UHFFFAOYSA-N;128.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212167;MM212167;C#CC(C)C1C(N)C1N;DJBWTMGPSQOYAR-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212168;MM212168;C#CC(N)C1C(N)C1N;YCTQWVLGCVAMKP-UHFFFAOYSA-N;125.18;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212169;MM212169;C#CC(O)C1C(N)C1N;ZZCAEQQWXYSUSL-UHFFFAOYSA-N;126.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212170;MM212170;C#CC(F)C1C(N)C1N;XRMQFHTWVCFZBE-UHFFFAOYSA-N;128.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212171;MM212171;C#CC(C)C1C(N)C1O;FKJZQMHRVAMFNL-UHFFFAOYSA-N;125.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212172;MM212172;C#CC(N)C1C(N)C1O;QQMZPAOTZDBCBQ-UHFFFAOYSA-N;126.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212173;MM212173;C#CC(O)C1C(N)C1O;JPVOBSNSDNPECA-UHFFFAOYSA-N;127.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212174;MM212174;C#CC(F)C1C(N)C1O;VSIYKSWBVNYDNK-UHFFFAOYSA-N;129.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212175;MM212175;C#CC(N)C1C(N)C1F;PHLJLUTWWUFBDO-UHFFFAOYSA-N;128.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212176;MM212176;C#CC(F)C1C(N)C1F;DCFUPXWZQUPXMB-UHFFFAOYSA-N;131.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212177;MM212177;C#CC(C)C1C(O)C1O;SYLFVVTZZZNMSO-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212178;MM212178;C#CC(N)C1C(O)C1O;HSTFENCUADPEGH-UHFFFAOYSA-N;127.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212179;MM212179;C#CC(O)C1C(O)C1O;KBFIRRPOLDRNOG-UHFFFAOYSA-N;128.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212180;MM212180;C#CC(N)C1C(O)C1F;JLFXKOPITIGPEB-UHFFFAOYSA-N;129.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212181;MM212181;CC(=O)CON=C(C)CO;SGGYXKXEYKILOJ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212182;MM212182;C#CC(F)C1C(C)N1C;GFZNJODFLQDKNZ-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212183;MM212183;C#CC(C)N1C(C)C1C;MTSSAEJYMGCRSH-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212184;MM212184;C=C(CC)C1C(C)C1C;KCLJPGNXGPPYPD-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212185;MM212185;C=C(CN)C1C(C)C1C;NDZFBXLZAADNDO-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212186;MM212186;C=C(CO)C1C(C)C1C;YAWHMWACZXSEME-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212187;MM212187;C=C(CF)C1C(C)C1C;MPEKDEXAEUACNB-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212188;MM212188;CCC(=O)C1C(C)C1C;CTETTXOMXJVCHA-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212189;MM212189;CC1C(C)C1C(=O)CO;JZQOOXDQWIDMKI-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212190;MM212190;CC1C(C)C1C(=O)CF;PUPSIXSUPWIXFC-UHFFFAOYSA-N;130.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212191;MM212191;C=C(CC)C1C(C)C1N;AGMWOLNMGNVBCV-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212192;MM212192;C=C(CN)C1C(C)C1N;OFIOHKIDTGRAAG-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212193;MM212193;C=C(CO)C1C(C)C1N;KMQCNZWJULTJHG-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212194;MM212194;C=C(CF)C1C(C)C1N;XFBPTMFFRRCWBX-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212195;MM212195;C=C(F)CON=C(C)CO;QTRDJGNEQKQLSF-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212196;MM212196;C=C(CN)C1C(C)C1O;QVAWZILQAFXRLT-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212197;MM212197;C=C(CO)C1C(C)C1O;XUWGWCDPASXHIZ-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212198;MM212198;C=C(CF)C1C(C)C1O;KDTPSTGPBVUEOO-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212199;MM212199;CCC(=O)C1C(C)C1O;VDUKDJGIEMQSGS-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212200;MM212200;C=C(CN)C1C(C)C1F;GFNAXPMMLQLOFT-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212201;MM212201;CCC(=O)C1C(C)C1F;LHNQRWIQSAFKPO-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212202;MM212202;C=C(CC)C1C(N)C1N;KGRMHUDTAYFUQY-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212203;MM212203;C=C(CN)C1C(N)C1N;JGPZAUOMICIUQT-UHFFFAOYSA-N;127.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212204;MM212204;C=C(CO)C1C(N)C1N;CYMLRIUMXRKLFP-UHFFFAOYSA-N;128.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212205;MM212205;C=C(CF)C1C(N)C1N;SUFJINPPIDNHQC-UHFFFAOYSA-N;130.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212206;MM212206;C=C(CC)C1C(N)C1O;MHZWGIFYVBZGJZ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212207;MM212207;C=C(CO)C1C(N)C1O;UVKKIBSFJVYBKQ-UHFFFAOYSA-N;129.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212208;MM212208;C=C(CF)C1C(N)C1O;PQBROBXRSVLMNR-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212209;MM212209;C=C(CN)C1C(N)C1F;BGVDEHAUUFQGOJ-UHFFFAOYSA-N;130.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212210;MM212210;C=C(CC)C1C(O)C1O;GRLKPGPLDVFOEQ-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212211;MM212211;C=C(CF)C1C(O)C1O;JPVRHEOHNJQQTD-UHFFFAOYSA-N;132.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212212;MM212212;O=C(CO)C1C(O)C1O;PWQAKOUBNLJCQV-UHFFFAOYSA-N;132.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212213;MM212213;CNC(=N)C1C(C)C1C;LHDYFCBCAIHXHQ-UHFFFAOYSA-N;126.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212214;MM212214;CC1C(C)C1C(=N)NN;LSSXPTYLRWMYHT-UHFFFAOYSA-N;127.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212215;MM212215;CC1C(C)C1C(=N)NO;UPPAKOQFOKZCPP-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212216;MM212216;NNC(=NC=O)OC(N)=O;ZARFJQWSRZOCLU-UHFFFAOYSA-N;146.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212217;MM212217;CC1C(NCC#N)C1(C)O;QDGJNLNLADDMJJ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212218;MM212218;CC1C(C)C1C(=O)NO;ZDRWJOOPFZKKRY-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212219;MM212219;CNC(=N)C1C(C)C1N;KIHTYNYHFMWSHG-UHFFFAOYSA-N;127.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212220;MM212220;CC1C(N)C1C(=N)NO;RELDFJFGMBUDSY-UHFFFAOYSA-N;129.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212221;MM212221;CNC(=O)C1C(C)C1N;IEQJQEYNXZYALW-UHFFFAOYSA-N;128.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212222;MM212222;CC1C(O)C1C(=N)NN;YCIUTOTZIDHISR-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212223;MM212223;CC1C(O)C1C(=N)NO;SSXSEKGRZBPJFC-UHFFFAOYSA-N;130.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212224;MM212224;CNC(=N)C1C(C)C1F;HMPMAKRWMIAZSA-UHFFFAOYSA-N;130.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212225;MM212225;CC1C(F)C1C(=O)NO;KITOBRVRHIYHHM-UHFFFAOYSA-N;133.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212226;MM212226;N=C(NO)C1C(N)C1N;GXQSCMDRHLHXDM-UHFFFAOYSA-N;130.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212227;MM212227;CNC(=O)C1C(N)C1N;WRWGIJIGDRMBRJ-UHFFFAOYSA-N;129.16;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212228;MM212228;N=C(NO)C1C(N)C1O;FHQJIVBUJPAZOR-UHFFFAOYSA-N;131.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212229;MM212229;O=C(NO)C1C(O)C1O;HUZCJPBDTGZGNT-UHFFFAOYSA-N;133.1;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212230;MM212230;CNC(=N)C1C(O)C1F;ZYIAMCJSRNISRQ-UHFFFAOYSA-N;132.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212231;MM212231;C=C(OC)C1C(C)C1C;KYYDOCNAQAEIKQ-UHFFFAOYSA-N;126.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212232;MM212232;COC(=O)C1C(C)C1C;KQVXZDVLCHFJMZ-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212233;MM212233;C=C(OC)C1C(C)C1N;TYOBDFVTTPYCJZ-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212234;MM212234;C=C(OC)C1C(C)C1F;ZPVADYLUEZYRCU-UHFFFAOYSA-N;130.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212235;MM212235;COC(=O)C1C(C)C1F;UAMAMDOIUWCMJX-UHFFFAOYSA-N;132.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212236;MM212236;COC(=O)C1C(N)C1N;PSOZYOFJVSLQBM-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212237;MM212237;COC(=O)C1C(N)C1O;SAESORATOFLFDU-UHFFFAOYSA-N;131.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212238;MM212238;C=C(CC)C1C(C)N1C;LAVNEODSJCSXGN-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212239;MM212239;C=C(CN)C1C(C)N1C;IKBMLQZNHIRWHG-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212240;MM212240;CC(C(CO)=NN)=C(F)F;VDFQNGIUDBOGDF-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212241;MM212241;CC(CO)=NOC(C)C=O;IIHHGSBDGKWSAL-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212242;MM212242;CC(CO)=NOC(C)C#N;LCUNHYCBFTXPKL-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212243;MM212243;C#CC(C)ON=C(C)CO;RVQJIZSKWAGPLR-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212244;MM212244;CNC(=N)C1C(C)N1C;KTMGETDTLPRUAS-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212245;MM212245;CC1C(C(=N)NN)N1C;HSVBQTMNTYKYGT-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212246;MM212246;NC(C=O)=NC(CO)CO;JOZQLQDSEMLJJU-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212247;MM212247;C#CC1(CO)CC(C#N)N1;VBLQPTITIAYNEG-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212248;MM212248;CC1C(C(=O)NO)N1C;BYZUUDYATSMHOA-UHFFFAOYSA-N;130.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212249;MM212249;C=C(OC)C1C(C)N1C;VMRKQSIHKLUAJL-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212250;MM212250;COC(=O)C1C(C)N1C;RQTKQDQOBBACGS-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212251;MM212251;CCC(=N)N1C(C)C1C;UYPPDXVDIMJBSR-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212252;MM212252;CC1C(C)N1C(=N)CN;QUKHIIPBYAVMMI-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212253;MM212253;CC1C(C)N1C(=N)CO;FMHPUPUKMXUQDG-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212254;MM212254;CCC(=O)N1C(C)C1C;ONGKIWKRDMVHSR-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212255;MM212255;CC1C(C)N1C(=O)CO;VACMEJGUELEOPA-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212256;MM212256;CC1C(C)N1C(=O)CF;AMJHDIFZYDUVSI-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212257;MM212257;CNC(=N)N1C(C)C1C;AXTQDJXRSQFJAZ-UHFFFAOYSA-N;127.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212258;MM212258;CC1C(C)N1C(=N)NN;IPYDDKOFIJIKPH-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212259;MM212259;CC1C(C)N1C(=N)NO;DNSNBQWUAICVTK-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212260;MM212260;CNC(=O)N1C(C)C1C;SZDRIRPYAMFBAO-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212261;MM212261;C=CC1(CO)NC1C(C)O;DKLJYKABVQQLGR-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212262;MM212262;CC1C(C)N1C(=O)NO;JRCDZARGFSMPML-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212263;MM212263;COC(=O)N1C(C)C1C;XIGIKLJRAHYDGZ-UHFFFAOYSA-N;129.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212264;MM212264;C=CC(=C)C1C(C)C1C;JNKLETSGAWJMPZ-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212265;MM212265;C=C(C=O)C1C(C)C1C;PSBFFOAACYLPDB-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212266;MM212266;C=C(C#N)C1C(C)C1C;FNBSWYFKXSQJRA-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212267;MM212267;C=CC(=O)C1C(C)C1C;BIBAOZGDXSXNSD-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212268;MM212268;CC1C(C)C1C(=O)C=O;VTNUAHAGVVTWDH-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212269;MM212269;CC1C(C)C1C(=O)C#N;SSASYJSNTNGHDR-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212270;MM212270;C=CC(=C)C1C(C)C1N;BXECALCAPPHATN-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212271;MM212271;CNN(C)C(=O)C(F)C#N;SHVYFFNZAMOUEL-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212272;MM212272;C=C(C=O)C1C(C)C1O;QBNYRVAEGOCPIJ-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212273;MM212273;C=C(C#N)C1C(C)C1O;MBHLPPYKIZNYDC-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212274;MM212274;C=CC(=O)C1C(C)C1O;ZBJHRMWCDNFXBW-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212275;MM212275;C=CC(=C)C1C(C)C1F;MNPNCLGBTBDKNF-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212276;MM212276;C=C(C=O)C1C(C)C1F;SPLYTTFDNRZQQK-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212277;MM212277;C=C(C#N)C1C(C)C1F;ZBEWHLFNIWXHFT-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212278;MM212278;C=CC(=O)C1C(C)C1F;KJYPCLHREVXLPE-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212279;MM212279;CC1C(F)C1C(=O)C#N;IXEDFEQNYFUTDU-UHFFFAOYSA-N;127.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212280;MM212280;C=CC(=C)C1C(N)C1N;QLCUHWYACPKHLB-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212281;MM212281;C=CC(=C)C1C(N)C1O;IZCPYKJUGQXTBA-UHFFFAOYSA-N;125.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212282;MM212282;C=CC(=C)C1C(O)C1O;GZYHDSSKGLYUPN-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212283;MM212283;C=C(C=O)C1C(O)C1O;WKJOHFLGMLCRJV-UHFFFAOYSA-N;128.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212284;MM212284;C=CC(=O)C1C(O)C1O;APDKDGFQSQESQV-UHFFFAOYSA-N;128.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212285;MM212285;C=CC(=C)C1C(O)C1F;OTNIJZHHPVWYOE-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212286;MM212286;C=CC(=C)C1C(C)N1C;BZEZNTXTEJIKNH-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212287;MM212287;C=C(C=O)C1C(C)N1C;ITTJJOMPCOSXIE-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212288;MM212288;C=C(C#N)C1C(C)N1C;URUIIOWPGPVNRC-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212289;MM212289;C=CC(=O)C1C(C)N1C;QHASOKYCCFPCIU-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212290;MM212290;CNN=CN(O)C(C)CO;IRKUTGULVJKSCF-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212291;MM212291;COCCON=C(C)CO;BFTMGIKXGHSYRS-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212292;MM212292;C=CC(=N)N1C(C)C1C;HOLCADSIBYPDBY-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212293;MM212293;CC1C(C)N1C(=N)C=O;BDUOXCSUSNYITO-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212294;MM212294;CC1C(C)N1C(=N)C#N;XMSOTPOIRNVDSL-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212295;MM212295;C=CC(=O)N1C(C)C1C;JAMKANORCRBYCD-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212296;MM212296;CC1C(C)N1C(=O)C=O;PWGDDDGBEIEGLP-UHFFFAOYSA-N;127.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212297;MM212297;CC1C(C)N1C(=O)C#N;WFCKVCFVFNOCHJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212298;MM212298;C#CC(=C)C1C(C)C1C;VODJVJCZMFDSTN-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212299;MM212299;C#CC(=O)C1C(C)C1C;REANCUBXMHVQKQ-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212300;MM212300;C#CC(=C)C1C(C)C1N;OLUARDYGAMSXSW-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212301;MM212301;C=COCON=C(C)CO;NJRNHPZEKKDACF-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212302;MM212302;C#CC(=O)C1C(C)C1O;UGIZGKAINQTXJV-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212303;MM212303;C#CC(=C)C1C(C)C1F;ZASQYAVCNCELNZ-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212304;MM212304;C#CC(=O)C1C(C)C1F;VYUOWCZEQPKJPM-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212305;MM212305;C#CC(=C)C1C(N)C1N;YOPYAPXPPFTIPY-UHFFFAOYSA-N;122.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212306;MM212306;C#CC(=C)C1C(N)C1O;GKJQSQZRVKQRGG-UHFFFAOYSA-N;123.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212307;MM212307;C#CC(=C)C1C(N)C1F;SSNGXBFAECGUPV-UHFFFAOYSA-N;125.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212308;MM212308;C#CC(=C)C1C(O)C1O;YSADFAFMTCOKJC-UHFFFAOYSA-N;124.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212309;MM212309;C#CC(=C)C1C(C)N1C;WHJJRSKHULTAES-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212310;MM212310;C=NOCON=C(C)CO;DDQMZSXJDFRGAV-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212311;MM212311;C#CC(=N)N1C(C)C1C;QHSKHBQVHCXXKB-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212312;MM212312;C#CC(=O)N1C(C)C1C;IASUELHFCUJJJU-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212313;MM212313;CC=C(C)C1C(C)C1C;NHSIGHOQGKWFOX-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212314;MM212314;CC(=CF)C1C(C)C1C;RMHPINOWEZZMQP-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212315;MM212315;CC=C(F)C1C(C)C1C;UXRAICLQBPUYDI-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212316;MM212316;CC1C(C)C1C(F)=CF;SJHPRZXIDOQBKQ-UHFFFAOYSA-N;132.15;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212317;MM212317;CC=C(C)C1C(C)C1N;GTKKHUJWHKPLEP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212318;MM212318;CC(=CF)C1C(C)C1N;RXZIHKDJBRRSAG-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212319;MM212319;CC=C(F)C1C(C)C1N;QOXYKVUCKQVVTL-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212320;MM212320;CC=CCON=C(C)CO;WCMHVIGXQKXLJQ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212321;MM212321;CC=C(C)C1C(C)C1F;KGELDJACGNKVCJ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212322;MM212322;CC(=CF)C1C(C)C1F;PHIPENUSVGPIGR-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212323;MM212323;CC1C(F)C1C(F)=CF;MGXSDRFEGUMNSD-UHFFFAOYSA-N;136.12;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212324;MM212324;CC=C(C)C1C(N)C1N;DHONLLBAOKLZJI-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212325;MM212325;CC(=CF)C1C(N)C1N;PFLWRJCUVMMVRU-UHFFFAOYSA-N;130.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212326;MM212326;NC1C(N)C1C(F)=CF;WDZMHKOURNQRAS-UHFFFAOYSA-N;134.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212327;MM212327;CC=C(C)C1C(N)C1O;NSACUNRWZXLKLS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212328;MM212328;NC1C(O)C1C(F)=CF;OBZXBAXCRHVHSX-UHFFFAOYSA-N;135.11;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212329;MM212329;CC=C(C)C1C(O)C1O;GLJNEJIVZINUHK-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212330;MM212330;CC=C(C)C1C(F)C1F;YUAXLKDWTAXDBF-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212331;MM212331;CC(=NN)C1C(C)C1C;MGODVAQRGWIXKF-UHFFFAOYSA-N;126.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212332;MM212332;CC(=NO)C1C(C)C1C;CCEOVUGGFREKAX-UHFFFAOYSA-N;127.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212333;MM212333;CC(=NO)C1C(C)C1N;DBYAALSZBOVWHX-UHFFFAOYSA-N;128.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212334;MM212334;CCC1(O)CC1NCC#N;ZJAJLOYLWPQRQT-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212335;MM212335;CC(=NO)C1C(C)C1O;VUSYBRLHCWDQKG-UHFFFAOYSA-N;129.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212336;MM212336;CC(=NN)C1C(C)C1F;LEJVFPWUTTWQQC-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212337;MM212337;CC=C(C)C1C(C)N1C;UNRWOEDHGRARBG-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212338;MM212338;CC(=CF)C1C(C)N1C;NATPJUYDOYOHDC-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212339;MM212339;CC1C(C(F)=CF)N1C;FTNWCBLAVJHYFY-UHFFFAOYSA-N;133.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212340;MM212340;CC(=NN)C1C(C)N1C;AJQYFKQQWPNGGM-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212341;MM212341;CC(=NO)C1C(C)N1C;AKOCYXISAVYYEV-UHFFFAOYSA-N;128.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212342;MM212342;CN=C(C)N1C(C)C1C;GULUUWUNLKYDKU-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212343;MM212343;C=NN(C=NN)C(=O)NC;ZJTUUDDAUGZZBH-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212344;MM212344;CCCCC1C(C)C1C;BNWOVNUPPBDNRV-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212345;MM212345;CC1C(C)C1CCCN;CBZQIDORVSTELD-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212346;MM212346;CC1C(C)C1CCCO;SYWDVHGLCJCFKQ-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212347;MM212347;CC1C(C)C1CCCF;RHRFWRZYQWQKSO-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212348;MM212348;CCCCC1C(C)C1N;FKWZIFWJTBWTKA-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212349;MM212349;CC1C(N)C1CCCN;DTKXPZJYOVVWFK-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212350;MM212350;CC1C(N)C1CCCO;AUQWXXCYLQPSGC-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212351;MM212351;CC1C(N)C1CCCF;PKYYNVYDXZACLZ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212352;MM212352;N=CN(OCCO)C(N)=O;HRHZVNQFHAEZSM-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212353;MM212353;CC1C(O)C1CCCN;INBGZIVSNMRLEE-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212354;MM212354;N=CN(N=CCO)C(N)=O;QWAQPBURGYCZGL-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212355;MM212355;CCCCC1C(C)C1F;ILOGNNVTOBFSLR-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212356;MM212356;CC1C(F)C1CCCN;IGLRVDOIZVYFAP-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212357;MM212357;CC1C(F)C1CCCO;PXZWIXCUDQCRHU-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212358;MM212358;CCCCC1C(N)C1N;CHUIEOPNFJKXBK-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212359;MM212359;NCCCC1C(N)C1N;YBKWWWFUCCYYNM-UHFFFAOYSA-N;129.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212360;MM212360;NC1C(N)C1CCCF;JFYMOATZHGZRAN-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212361;MM212361;CCCCC1C(N)C1O;GCQMODMOIKGTBO-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212362;MM212362;NCCCC1C(N)C1O;XZQZOEOBGMYAKD-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212363;MM212363;CCCCC1C(N)C1F;YSCZMFBLHUDREA-UHFFFAOYSA-N;131.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212364;MM212364;NCCCC1C(N)C1F;DYONWARKUFNYQN-UHFFFAOYSA-N;132.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212365;MM212365;NC1C(F)C1CCCO;ZYPMJXVHVPHWOK-UHFFFAOYSA-N;133.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212366;MM212366;CCCCC1C(O)C1O;CNWYSSDOENNPNH-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212367;MM212367;NCCCC1C(O)C1O;AYUJAAGPVFTYRN-UHFFFAOYSA-N;131.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212368;MM212368;OCCCC1C(O)C1O;RZEVONOTECJXOH-UHFFFAOYSA-N;132.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212369;MM212369;CCCCC1C(O)C1F;VBAHMXLRXSBJMC-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212370;MM212370;OC1C(F)C1CCCF;OYEJPAIYKWFWCY-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212371;MM212371;CCCCC1C(F)C1F;XHDJXEFDYYBCSD-UHFFFAOYSA-N;134.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212372;MM212372;OCCCC1C(F)C1F;CECARQTYIMTJIQ-UHFFFAOYSA-N;136.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212373;MM212373;CNCCC1C(C)C1N;XRAXZXXHRBYVDV-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212374;MM212374;CNCCC1C(C)C1O;AMMNDNVUOWNXEC-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212375;MM212375;CNCCC1C(C)C1F;ZUNJFSFSXOJKED-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212376;MM212376;CNCCC1C(N)C1N;DPCREDQZUNZYSH-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212377;MM212377;CNCCC1C(N)C1O;YCOOGJMRJPEENY-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212378;MM212378;CNCCC1C(N)C1F;GFAMJCPNLMIJCP-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212379;MM212379;CNCCC1C(O)C1O;JRYVQOMZCYQSBZ-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212380;MM212380;CNCCC1C(O)C1F;DFTIKBHJTNQWDH-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212381;MM212381;COCCC1C(C)C1O;YSOMSANMSJPQEO-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212382;MM212382;COCCC1C(C)C1F;DTONOERIIFKJON-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212383;MM212383;CCNCC1C(C)C1C;BSUOXCAEOBQCQK-UHFFFAOYSA-N;127.23;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212384;MM212384;CCNCC1C(C)C1N;VPGQIVSAJVXAQL-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212385;MM212385;CCNCC1C(C)C1O;RHNPMMWOHNTNOE-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212386;MM212386;CCNCC1C(C)C1F;QMQQILFQTIJFRK-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212387;MM212387;CCNCC1C(N)C1N;MFTQKRBERVMQBK-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212388;MM212388;CCNCC1C(N)C1O;OWUPHZCOEOJEIC-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212389;MM212389;CCNCC1C(N)C1F;ZFTGHVABJSVOGK-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212390;MM212390;CCNCC1C(O)C1O;RFURFAVTKKBKIC-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212391;MM212391;CCNCC1C(O)C1F;FEJKGHUEYHPLKH-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212392;MM212392;CCNCC1C(F)C1F;QGHRGLZYHCSXOJ-UHFFFAOYSA-N;135.16;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212393;MM212393;CCOCC1C(C)C1C;UOXNGCQSGXNZMU-UHFFFAOYSA-N;128.22;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212394;MM212394;CCOCC1C(C)C1N;NNLGPORFNLXHHM-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212395;MM212395;CCOCC1C(C)C1O;QJLLJANJTXYRFP-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212396;MM212396;CCOCC1C(C)C1F;DYYBLDWLCXFLBA-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212397;MM212397;CCOCC1C(N)C1N;GUXAZMXDTSZPSX-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212398;MM212398;CCOCC1C(O)C1F;PUAFYVXUSBSXHX-UHFFFAOYSA-N;134.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212399;MM212399;CCOCC1C(F)C1F;MGPTZVHKXUWXRY-UHFFFAOYSA-N;136.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212400;MM212400;CCCNC1C(C)C1C;HHUWFWSPHMSPAU-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212401;MM212401;CC1C(C)C1NCCN;LGRYOHCEJDKDQN-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212402;MM212402;CC1C(C)C1NCCO;YFWHXZPIZUZICL-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212403;MM212403;CCCNC1C(C)C1N;BUHXDCKTXDYANU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212404;MM212404;CC1C(N)C1NCCN;PURBIAGMEAQZFD-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212405;MM212405;CCCNC1C(C)C1O;VTYGNNZJGDTWAX-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212406;MM212406;CC1C(O)C1NCCN;VQVGZTINELRWLX-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212407;MM212407;CC1C(O)C1NCCO;GCBOQKGRJMXPJC-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212408;MM212408;CCCNC1C(C)C1F;JHARAMTWSFARPV-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212409;MM212409;CC1C(F)C1NCCN;NFGKALWOMIJSQP-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212410;MM212410;CCCNC1C(N)C1O;DPOUZETUSSFKAQ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212411;MM212411;NC1C(O)C1NCCO;KOXKUVKVFBNOLQ-UHFFFAOYSA-N;132.16;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212412;MM212412;NCCNC1C(N)C1F;INVJCMUXJWCKQQ-UHFFFAOYSA-N;133.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212413;MM212413;CCCNC1C(O)C1O;JCKIAFUPAXLIPH-UHFFFAOYSA-N;131.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212414;MM212414;CC1C(C)C1OCCN;WHDHVXVENAGBPH-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212415;MM212415;CC1C(C)C1OCCF;JKUGVVYEFGRCTA-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212416;MM212416;CC1C(N)C1OCCN;OSEVEMXLIPUSBG-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212417;MM212417;CC1C(N)C1OCCO;KPMVZZWAZFHRQD-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212418;MM212418;CC1C(N)C1OCCF;MMKUYZMZYOLPPY-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212419;MM212419;CC1C(O)C1OCCN;FKSPQIXCGPMDST-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212420;MM212420;CC1C(O)C1OCCO;HRTXMNJWSRATBG-UHFFFAOYSA-N;132.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212421;MM212421;CC1C(F)C1OCCN;YOQPKTJCPCBGSU-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212422;MM212422;CCCOC1C(N)C1N;IPJBVSKCNYOXEZ-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212423;MM212423;NC1C(N)C1OCCO;PZHBTPJSFOYATP-UHFFFAOYSA-N;132.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212424;MM212424;NCCOC1C(N)C1F;ZMLKQWRAVIYTIQ-UHFFFAOYSA-N;134.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212425;MM212425;CCCOC1C(O)C1F;ZKKMHRWPODETAD-UHFFFAOYSA-N;134.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212426;MM212426;COCOC1C(C)C1C;CMJDPSZBCLSRLN-UHFFFAOYSA-N;130.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212427;MM212427;COCOC1C(C)C1N;CNRFUMCLQFWLEP-UHFFFAOYSA-N;131.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212428;MM212428;COCOC1C(C)C1O;JZJJMZNLDBMIKD-UHFFFAOYSA-N;132.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212429;MM212429;COCOC1C(C)C1F;DBJLUDOYLMXEEZ-UHFFFAOYSA-N;134.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212430;MM212430;CC1C(CCCN)N1C;KHWXVJOJEAKISP-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212431;MM212431;CNCCC1C(C)N1C;JYXIHDGDFRMKOI-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212432;MM212432;CCNCC1C(C)N1C;AMPFLSGHZBKBJW-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212433;MM212433;CCOCC1C(C)N1C;SJDPSUPBOONUJA-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212434;MM212434;CC1C(C)N1CCCN;DCCJHCOPIGOVDX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212435;MM212435;CNCCN1C(C)C1C;XPHIJEIAAQGWPW-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212436;MM212436;C=CCCC1C(C)C1C;SLIZAZOZCUTSEI-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212437;MM212437;CC1C(C)C1CCC=O;UWXXOFHOQMKCEQ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212438;MM212438;CC1C(C)C1CCC#N;OSHOSXONHHMJAF-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212439;MM212439;C=CCCC1C(C)C1N;XBDBTYTVBVEXCX-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212440;MM212440;CNC(C#CC=O)C(F)F;NUSSUKFTWZVVML-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212441;MM212441;C#CC(=CC)C(CO)=NN;GMVLHAZMUIQNEK-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212442;MM212442;C#CC(=NOCCO)NO;OAROQLPNRWYHTA-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212443;MM212443;C=CCCC1C(C)C1F;NTWONASYOGDEGZ-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212444;MM212444;CC1C(F)C1CCC=O;VJYNADNQITWGGH-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212445;MM212445;CC1C(F)C1CCC#N;XBQJPAGMYSGOTC-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212446;MM212446;C=CCCC1C(N)C1N;BYPCYXNJZLOZSH-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212447;MM212447;C=CCCC1C(N)C1O;BWVDTCWQPKBZRN-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212448;MM212448;C=CCCC1C(N)C1F;MDWIBNFJOQJLIU-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212449;MM212449;C=CCCC1C(O)C1O;IJGSLICMUNLYJI-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212450;MM212450;N#CCCC1C(O)C1O;DUJIBPLNNNQGOW-UHFFFAOYSA-N;127.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212451;MM212451;C=CCCC1C(O)C1F;NMUCMSUPVIOGJA-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212452;MM212452;O=CCCC1C(O)C1F;OPODNBJZNVUETI-UHFFFAOYSA-N;132.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212453;MM212453;N#CCCC1C(O)C1F;LFLHMUXWLBPVRY-UHFFFAOYSA-N;129.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212454;MM212454;C=CCCC1C(F)C1F;FXUDEMATOXHOFK-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212455;MM212455;CC1C(C)C1CNC=N;XCUNHDUAKKEXDL-UHFFFAOYSA-N;126.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212456;MM212456;C#CCON=C(C=C)CO;DPNRPQDFKWUTIA-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212457;MM212457;CC1C(N)C1CNC=N;PTBQYBRIDAGCNL-UHFFFAOYSA-N;127.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212458;MM212458;CC1C(O)C1CNC=N;HGGISYDKCJXHRK-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212459;MM212459;CC1C(O)C1CNC=O;OZFPPTZJLBCFAO-UHFFFAOYSA-N;129.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212460;MM212460;CC1C(F)C1CNC=N;PEMGLRYZJADTIT-UHFFFAOYSA-N;130.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212461;MM212461;C=CC(CO)N(O)C=NN;WECKXYQOGZKHCJ-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212462;MM212462;N=CNCC1C(N)C1N;LRAORFVCQCNPSS-UHFFFAOYSA-N;128.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-10.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212463;MM212463;NC1C(N)C1CNC=O;NDFKTRDGTCKHOX-UHFFFAOYSA-N;129.16;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212464;MM212464;N=CNCC1C(N)C1O;RBHWQCVRIPEBGM-UHFFFAOYSA-N;129.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212465;MM212465;NC1C(O)C1CNC=O;RQDRDVOXMQCOPW-UHFFFAOYSA-N;130.15;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212466;MM212466;N=CNCC1C(N)C1F;UQGMLEAICWFXKQ-UHFFFAOYSA-N;131.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212467;MM212467;N=CNCC1C(O)C1O;NVWHIKZNHBYLQW-UHFFFAOYSA-N;130.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212468;MM212468;O=CNCC1C(O)C1O;CHBJQEDLNXPXHG-UHFFFAOYSA-N;131.13;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212469;MM212469;N=CNCC1C(O)C1F;NEJIFJDPCOCMFX-UHFFFAOYSA-N;132.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212470;MM212470;O=CNCC1C(O)C1F;GCZZZIARNWWQMV-UHFFFAOYSA-N;133.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212471;MM212471;C=NNCC1C(C)C1C;KMNIGSSAHPXEGO-UHFFFAOYSA-N;126.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212472;MM212472;NN=C(CO)CC1CC1O;MBMKMKKQVXMIHX-UHFFFAOYSA-N;144.17;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212473;MM212473;C=NNCC1C(C)C1F;ZDGPGQZCSNDSCL-UHFFFAOYSA-N;130.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212474;MM212474;C=NNCC1C(N)C1N;YYMALLDRHSLVPM-UHFFFAOYSA-N;128.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212475;MM212475;C=NNCC1C(N)C1O;MZRJNWPVEQRNEI-UHFFFAOYSA-N;129.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212476;MM212476;CC=Cc1cc(CC)n[nH]1;WSWNRRSSDZIUJL-UHFFFAOYSA-N;136.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212477;MM212477;CNc1[nH]nc(C#N)c1C;BIWWWALLNROHPB-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212478;MM212478;C=COCC1C(C)C1C;RULUWMZTRFSLCU-UHFFFAOYSA-N;126.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212479;MM212479;CC1C(C)C1COC=O;PWWXZQLJSZQLSY-UHFFFAOYSA-N;128.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212480;MM212480;C=COCC1C(C)C1N;DLBSJZQELIETPX-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212481;MM212481;CC1C(N)C1COC=O;IHZAPDGMTQUBHV-UHFFFAOYSA-N;129.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212482;MM212482;C=COCC1C(C)C1O;CYJZOZZOVOMKIZ-UHFFFAOYSA-N;128.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212483;MM212483;CC1C(O)C1COC=O;JMGGTIPBLLSGEZ-UHFFFAOYSA-N;130.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212484;MM212484;C=COCC1C(C)C1F;HMDNSYHMHGYAFC-UHFFFAOYSA-N;130.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212485;MM212485;C=COCC1C(N)C1N;ZSZSGDREIXPEKO-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212486;MM212486;NC1C(N)C1COC=O;QVVBOHPXDMZGCH-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212487;MM212487;C=COCC1C(N)C1O;JQDQYHXOBQNKNL-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212488;MM212488;C=COCC1C(N)C1F;ZQJKTWNIXOCCCV-UHFFFAOYSA-N;131.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212489;MM212489;C=COCC1C(O)C1O;KCNGAORTRJMJNK-UHFFFAOYSA-N;130.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212490;MM212490;O=COCC1C(O)C1O;XMFOBVAJLIBFTA-UHFFFAOYSA-N;132.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212491;MM212491;C=NOCC1C(C)C1C;MYDFIPBQYWQPMD-UHFFFAOYSA-N;127.19;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212492;MM212492;C=NOCC1C(C)C1N;GMZFIBUQOBNPLV-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212493;MM212493;C=NN1CC1C(CO)=NN;PQKWFLSIPVCALK-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212494;MM212494;C=NOCC1C(C)C1F;IIYTWHYOXBBESY-UHFFFAOYSA-N;131.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212495;MM212495;C=NOCC1C(N)C1N;FPIRHMMIHPRERY-UHFFFAOYSA-N;129.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212496;MM212496;C=NOCC1C(N)C1O;ZIWGZJILAQLUBP-UHFFFAOYSA-N;130.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212497;MM212497;C=NOCC1C(N)C1F;TXSVQZZCMQKELM-UHFFFAOYSA-N;132.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212498;MM212498;CCC1ON=C(NC)NO1;RHRNSFPESDRWQR-UHFFFAOYSA-N;145.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212499;MM212499;C=CCNC1C(C)C1C;PVINLZXQSCYIII-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212500;MM212500;CC1C(C)C1NCC#N;YISSBFOAICMSGS-UHFFFAOYSA-N;124.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212501;MM212501;C=CCNC1C(C)C1N;OZDSMLYUQSRYFF-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212502;MM212502;C=CCNC1C(C)C1O;UANJWSNTZLSMSG-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212503;MM212503;CON1C=NC2(CO)CC12;MKRABODOQBCKHY-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212504;MM212504;CC1C(F)C1NCC#N;NJLPLGCUUKAEJJ-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212505;MM212505;C=CCNC1C(N)C1N;BIRHENOPTMOBIG-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nd";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212506;MM212506;O=CN1C=NC2(CO)CC12;RLODURDRPLTTEO-UHFFFAOYSA-N;140.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212507;MM212507;C=CCNC1C(F)C1F;UHHDJYUWSQASCU-UHFFFAOYSA-N;133.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212508;MM212508;CC1C(C)C1NNC=N;LMOYSDXZUAVMCY-UHFFFAOYSA-N;127.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212509;MM212509;C=NN1C=NC2(CO)CC12;YQFVMBVNQXELQI-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212510;MM212510;CC1C(N)C1NNC=N;BCADUVFUKODUDG-UHFFFAOYSA-N;128.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212511;MM212511;CC1C(N)C1NNC=O;WGQCIYWJXWRCMO-UHFFFAOYSA-N;129.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212512;MM212512;CC1C(O)C1NNC=N;JLERFRDOYUEOOZ-UHFFFAOYSA-N;129.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212513;MM212513;N#CCNC(=N)C(N)=O;OTBMVRRDWFMVMP-UHFFFAOYSA-N;126.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212514;MM212514;CC1C(F)C1NNC=N;JGADTANJSPUDGW-UHFFFAOYSA-N;131.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212515;MM212515;CC1C(F)C1NNC=O;ZYQDAPYTZLHWTH-UHFFFAOYSA-N;132.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212516;MM212516;N=CNNC1C(N)C1N;ZNSAAEQBDBMHAQ-UHFFFAOYSA-N;129.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212517;MM212517;N=CNNC1C(N)C1O;HPVKGOSXHFWTLT-UHFFFAOYSA-N;130.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212518;MM212518;N=CNNC1C(O)C1O;VOGWGDZGHUBSFT-UHFFFAOYSA-N;131.14;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212519;MM212519;O=CNNC1C(O)C1O;OWKJVAXSWWVMSL-UHFFFAOYSA-N;132.12;-2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212520;MM212520;N=CNNC1C(O)C1F;WDZHEIYOHDWSSQ-UHFFFAOYSA-N;133.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212521;MM212521;C=CCOC1C(C)C1C;GAOQACGSNWQVRA-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212522;MM212522;CC1C(C)C1OCC=O;PTSUGPILELMLLE-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212523;MM212523;CC1C(C)C1OCC#N;MSYQPJIZLGUTIY-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212524;MM212524;C=CCOC1C(C)C1N;AVDAVEIIPMPISB-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212525;MM212525;C=CCOC1C(C)C1O;CYVFWWSYZUQVJT-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212526;MM212526;CC1C(O)C1OCC#N;QZTNFGDPVQYMEF-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212527;MM212527;CC1C(F)C1OCC=O;GDCCUKXZNWWNNN-UHFFFAOYSA-N;132.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212528;MM212528;CC1C(F)C1OCC#N;QYJUCWLRRPQHOU-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212529;MM212529;C=CCOC1C(N)C1N;LLNVDEZAXVDTTE-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212530;MM212530;C=CCOC1C(N)C1O;YJERMBKEAYEPKA-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212531;MM212531;C=CCOC1C(O)C1O;PDCJLTLAFDZPAR-UHFFFAOYSA-N;130.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212532;MM212532;O=CCOC1C(O)C1F;NCRBQSOGYVZEHO-UHFFFAOYSA-N;134.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212533;MM212533;N#CCOC1C(O)C1F;BXBRXTJXNSRBII-UHFFFAOYSA-N;131.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212534;MM212534;C=CCOC1C(F)C1F;ZUVBVMGVFMYNKH-UHFFFAOYSA-N;134.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212535;MM212535;N#CCOC1C(F)C1F;YPLCKNFBFXQOEA-UHFFFAOYSA-N;133.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212536;MM212536;CC1C(C)C1ONC=N;NWPYGFMCUNHZIB-UHFFFAOYSA-N;128.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212537;MM212537;CC1C(C)C1ONC=O;VMGDFWBXQPOUPE-UHFFFAOYSA-N;129.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212538;MM212538;CC1C(N)C1ONC=N;DSHHIJFLTNMFTB-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212539;MM212539;CC1C(N)C1ONC=O;NXWWVOVVOAPBIU-UHFFFAOYSA-N;130.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212540;MM212540;CC1C(O)C1ONC=N;LOMUXKREPZIQPR-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212541;MM212541;CC1C(O)C1ONC=O;STGNXCHATRXTSM-UHFFFAOYSA-N;131.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212542;MM212542;N=CNOC1C(N)C1N;NCSNXZCIRCAHBE-UHFFFAOYSA-N;130.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212543;MM212543;N=CNOC1C(N)C1O;YQGWCDJYODSJBL-UHFFFAOYSA-N;131.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212544;MM212544;N=CNOC1C(N)C1F;XXVNOCJQLHJDBQ-UHFFFAOYSA-N;133.13;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212545;MM212545;N=CNOC1C(O)C1O;KANGFDKSVRGFRC-UHFFFAOYSA-N;132.12;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212546;MM212546;N=CNOC1C(O)C1F;BYAIMUDGRJYDCN-UHFFFAOYSA-N;134.11;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212547;MM212547;CC(CO)=NN=CNN;FXSBJNBVSXZDQW-UHFFFAOYSA-N;130.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212548;MM212548;CC1C(CCC#N)N1C;ZSERCJDMRCMTCH-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212549;MM212549;CC1C(CNC=N)N1C;XMQKKFWVZSIPFD-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212550;MM212550;CC1OC(=O)C1(N)CO;MQUQHJXTBWOPTR-UHFFFAOYSA-N;131.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212551;MM212551;C=NNCC1C(C)N1C;HEAFEAFGQRDMDA-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212552;MM212552;C=COCC1C(C)N1C;YQCQMMWDNBXCDC-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212553;MM212553;CC1C(COC=O)N1C;JJILTZBSMAFQGF-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212554;MM212554;C=NOCC1C(C)N1C;HWJVMGYHNYDJPV-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212555;MM212555;CC1C(C)N1CCC#N;GFTBYRQAYBEQPZ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212556;MM212556;C#CCCC1C(C)C1C;APRXUTZLGIPCQT-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212557;MM212557;C#CCCC1C(C)C1N;VJIHRNSYFRUBOD-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212558;MM212558;CC1=CC(=NN)CC1O;DXSCWVPAPMVNTO-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212559;MM212559;C#CCCC1C(C)C1F;UHWOLGHLXVEZSX-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212560;MM212560;C#CCCC1C(N)C1N;UFAUXRUNGGOPKV-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212561;MM212561;C#CCCC1C(N)C1O;YGUVHVWFDUZCNQ-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212562;MM212562;C#CCCC1C(N)C1F;ZWDPZYHDWGYTMF-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212563;MM212563;C#CCCC1C(O)C1O;PMYOPETTXNBXHD-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212564;MM212564;C#CCCC1C(O)C1F;AYQGLVLFOKFXQM-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212565;MM212565;C#CCCC1C(F)C1F;QDXZGOFZGOALLX-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212566;MM212566;C#CCNC1C(C)C1C;XJOVQCWEKSNUAZ-UHFFFAOYSA-N;123.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212567;MM212567;C#CCNC1C(C)C1N;NHWRFNFUHOIGJT-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212568;MM212568;C#CCNC1C(N)C1N;HGOHMSQDHLVZRH-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212569;MM212569;C#CCNC1C(N)C1O;SLPZZDRVBBGXJP-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212570;MM212570;C#CCNC1C(F)C1F;KLMXZVCMYNHAHD-UHFFFAOYSA-N;131.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212571;MM212571;C#CCOC1C(C)C1C;LKEFXPKYXYKYSO-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212572;MM212572;C#CCOC1C(C)C1N;OXDAFNSICTVEIB-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212573;MM212573;C#CCOC1C(C)C1F;BCWNCSIOBAINAS-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212574;MM212574;C#CCOC1C(N)C1N;BDGPEJPPXISKCJ-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212575;MM212575;C#CCOC1C(N)C1O;PAPAPHVHJAJSLL-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212576;MM212576;CC=CCC1C(C)C1C;IIKSNXYUHDGWGC-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212577;MM212577;CC1C(C)C1CC=CF;QZHQDSWRYQWTPN-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212578;MM212578;CC=CCC1C(C)C1N;RBCQQSBPOAERLT-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212579;MM212579;C=NNCC(CO)=NN;RQRSMRZLUVVPTQ-UHFFFAOYSA-N;130.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212580;MM212580;CC=CCC1C(C)C1F;VYVFDTOSBZJAPW-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212581;MM212581;CC1C(F)C1CC=CF;VOJFFGMRLPMKTA-UHFFFAOYSA-N;132.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212582;MM212582;CC=CCC1C(N)C1N;UKKZWKQQYHFYBF-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP3";;;;;;;0.86;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212583;MM212583;NC1C(N)C1CC=CF;NCFUFMTZYBNGSG-UHFFFAOYSA-N;130.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212584;MM212584;CC=CCC1C(N)C1O;YGLLIATZWWUJKM-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212585;MM212585;CC=CCC1C(N)C1F;GUIKTKKWPWHCBU-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212586;MM212586;CC=CCC1C(O)C1O;XEYQXTYJMLQABO-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212587;MM212587;OC1C(O)C1CC=CF;RHBKQKIIGHLVRR-UHFFFAOYSA-N;132.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212588;MM212588;CC=CCC1C(O)C1F;XZYKXOLHBAITII-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212589;MM212589;OC1C(F)C1CC=CF;GHXCJHXTNWYOEA-UHFFFAOYSA-N;134.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212590;MM212590;FC=CCC1C(F)C1F;SWNSHLFRAPCPKF-UHFFFAOYSA-N;136.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212591;MM212591;CC1C(C)C1CC=NN;XYJOUKCDJVSHAF-UHFFFAOYSA-N;126.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212592;MM212592;CC1C(C)C1CC=NO;JSTGZBFQCNGOJH-UHFFFAOYSA-N;127.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212593;MM212593;CC1C(N)C1CC=NO;MYQHMTHNFPUGCJ-UHFFFAOYSA-N;128.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212594;MM212594;CCC1=CC(=NN)OC1;BHZAPHQNWICUTL-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212595;MM212595;CC1C(O)C1CC=NO;NQQDHFALXPJZAP-UHFFFAOYSA-N;129.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212596;MM212596;CC1C(F)C1CC=NN;RFAIMEXAZFTDSE-UHFFFAOYSA-N;130.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212597;MM212597;NC1C(N)C1CC=NO;XMEPFXQHFXBRDJ-UHFFFAOYSA-N;129.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212598;MM212598;NC1C(O)C1CC=NO;XIZPILFFVRNLSU-UHFFFAOYSA-N;130.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212599;MM212599;CC(C)NC(=O)OC=NN;GODYJNJXEMISBI-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212600;MM212600;ON=CCC1C(F)C1F;YPQUCGNIUNBBCH-UHFFFAOYSA-N;135.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212601;MM212601;CC1C(O)C1N=CNN;DLJFFUQSCCFMHR-UHFFFAOYSA-N;129.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212602;MM212602;CN=CNC1C(C)C1F;OEKSEZRQLJHVKT-UHFFFAOYSA-N;130.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212603;MM212603;CN=CNC1C(N)C1N;SHWJKNZZLFPQNT-UHFFFAOYSA-N;128.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212604;MM212604;CN=CNC1C(N)C1O;DGOPTRFNTFNEMD-UHFFFAOYSA-N;129.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212605;MM212605;CC=NNC1C(C)C1C;VXYROWBOUKOMHW-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212606;MM212606;CC=NNC1C(C)C1N;TWMGAXDEQJWMSI-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212607;MM212607;C=NNCC(O)C=C(C)C;CXRWLJRPLNSFHZ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212608;MM212608;CC=NNC1C(C)C1F;QTYODPOTGLHPQO-UHFFFAOYSA-N;130.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212609;MM212609;CC=COC1C(C)C1C;IAQKFZOLFNHVCW-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212610;MM212610;CC1C(C)C1OC=CF;PCJVTZORUZUZNT-UHFFFAOYSA-N;130.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212611;MM212611;CC=COC1C(C)C1N;OBEHBUOEYSZKOS-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212612;MM212612;CC=COC1C(C)C1O;OBQDJEACJQFAPC-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212613;MM212613;CC=COC1C(C)C1F;DJNXBPKLTFKRJX-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212614;MM212614;CC=COC1C(N)C1N;WKFDYAGIJINJKE-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212615;MM212615;CC=COC1C(N)C1O;FTBDDJWIWXOBKQ-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212616;MM212616;NC1C(O)C1OC=CF;YWWIOWCAAHSJHK-UHFFFAOYSA-N;133.12;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212617;MM212617;CC=COC1C(F)C1F;WWADNKMQRJQCHY-UHFFFAOYSA-N;134.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212618;MM212618;CC(CO)=NN=CN(C)N;CDHQIBKMLLZQHJ-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212619;MM212619;CNN=C(CO)CC(C)O;JFQJQGWEDPESFG-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212620;MM212620;CC1C(O)C1OC=NO;JWTVKUJCGOHTIE-UHFFFAOYSA-N;131.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212621;MM212621;CC=NOC1C(C)C1C;ONCXYQTUYYVXFQ-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212622;MM212622;CC=NOC1C(C)C1N;YQOIVOXEOWXWDE-UHFFFAOYSA-N;128.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212623;MM212623;COCC(O)CCC=NN;JLQMFCXHZGBENB-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212624;MM212624;CC=NOC1C(C)C1F;YJHJQMWGIMIHDC-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212625;MM212625;CC=NOC1C(F)C1F;QFFUGBQNSFLDNZ-UHFFFAOYSA-N;135.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212626;MM212626;CC1C(CC=CF)N1C;LHBCCCRAEONRDL-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212627;MM212627;CC1C(CC=NN)N1C;DIMBYLSCVIKVIN-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212628;MM212628;N#CCN(O)C=NCCO;JGPFFHCXLCPSMF-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212629;MM212629;CC1C(C)N1CC=NN;XKLDRDCAHYLBCJ-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212630;MM212630;CNN=C(C)C(F)C(N)=O;MBFYHBNNSWYWCI-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212631;MM212631;CC#CCC1C(C)C1C;WXWJZVJJTYVHHG-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212632;MM212632;CC#CCC1C(C)C1N;SPYVHSWRYPSBRR-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212633;MM212633;CC1(C)NC1C(CO)=NN;QPJVFLJWUOKBKS-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212634;MM212634;CC#CCC1C(C)C1F;CANSAKSBAIEWPN-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212635;MM212635;CC#CCC1C(N)C1N;LAZQLANWSHWARD-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212636;MM212636;CC#CCC1C(N)C1O;GJVFCZBMJSSYKL-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212637;MM212637;CC#CCC1C(N)C1F;KPTUIPZIPYAVFZ-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212638;MM212638;CC#CCC1C(O)C1O;GNLOFTPQIRQHML-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212639;MM212639;CC#CCC1C(O)C1F;GAYGGUHPMBHCGH-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212640;MM212640;CC#CCC1C(F)C1F;XFUYCLRHQYEEPJ-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212641;MM212641;CC#CCC1C(C)N1C;RIHVWYNMDHNZSX-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212642;MM212642;CC#CCN1C(C)C1C;FXGKHWWQIFPZFU-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212643;MM212643;CCC=CC1C(C)C1C;JZGWOTSHPRPERI-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212644;MM212644;CC1C(C)C1C=CCN;WMNVMRDDHKBTMD-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212645;MM212645;CC1C(C)C1C=CCO;KMQAVUWHKJWPPZ-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212646;MM212646;CC1C(C)C1C=CCF;URJFQPAVGMWQGT-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212647;MM212647;CCC=CC1C(C)C1N;AUULPDCKKDUDPE-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212648;MM212648;CC1C(N)C1C=CCN;RWWCMQCYUFCBLI-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212649;MM212649;CC1C(N)C1C=CCO;KEUDWVHTMMJABE-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212650;MM212650;CC1C(N)C1C=CCF;UBAGHFQQXCVLPX-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212651;MM212651;C=NN(C)CC(CO)=NN;YDMXLZAWKZBFBH-UHFFFAOYSA-N;144.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212652;MM212652;CC1C(O)C1C=CCN;BVAXDBOGYYJRAL-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212653;MM212653;CCC=CC1C(C)C1F;DCLMVACPTIKUEL-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212654;MM212654;CC1C(F)C1C=CCN;YLLRQJPBHDLSQI-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212655;MM212655;CC1C(F)C1C=CCO;SCBUKAUDLZHJMI-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212656;MM212656;CC1C(F)C1C=CCF;JNRNHIPTKBRBAE-UHFFFAOYSA-N;132.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212657;MM212657;CCC=CC1C(N)C1N;SQMDYMAEQOMNMS-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212658;MM212658;CCC=CC1C(N)C1O;DGVCVLKWQAELSS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212659;MM212659;NC1C(O)C1C=CCF;NWUDNQOPSZDNST-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212660;MM212660;CCC=CC1C(N)C1F;KCUDOLDNTJAURH-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212661;MM212661;NCC=CC1C(N)C1F;WWBAZYWEIAOUNE-UHFFFAOYSA-N;130.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212662;MM212662;NC1C(F)C1C=CCO;HVXIQVUKGVSTAO-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212663;MM212663;CCC=CC1C(O)C1O;UWHBKBSFDBBHQD-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212664;MM212664;NCC=CC1C(O)C1O;NYIJZOMQXQFFAS-UHFFFAOYSA-N;129.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212665;MM212665;OC1C(O)C1C=CCF;JNHNKPUDSNDUQK-UHFFFAOYSA-N;132.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212666;MM212666;CCC=CC1C(O)C1F;CYAFULIJNNZBOJ-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212667;MM212667;NCC=CC1C(O)C1F;ABRMTLMYEDITKD-UHFFFAOYSA-N;131.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212668;MM212668;NCC=CC1C(F)C1F;PJNBSXPJPDXFJB-UHFFFAOYSA-N;133.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212669;MM212669;COC=CC1C(C)C1C;XVKQOYSCAOITBX-UHFFFAOYSA-N;126.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212670;MM212670;COC=CC1C(C)C1N;WVCPBVKZAHPAJN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212671;MM212671;COC=CC1C(C)C1O;KAWKAYQHQBIWRI-UHFFFAOYSA-N;128.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212672;MM212672;COC=CC1C(C)C1F;GIXVBXKDRKDALY-UHFFFAOYSA-N;130.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212673;MM212673;COC=CC1C(N)C1O;ZOAHWBZMRLVWSK-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212674;MM212674;CNN=CC1C(C)C1C;XXCKTHLMRZSIAO-UHFFFAOYSA-N;126.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212675;MM212675;CNN=CC1C(C)C1N;KNMGNEGMSKVONJ-UHFFFAOYSA-N;127.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212676;MM212676;CNN=CC1C(N)C1N;KFGJCBDGRJUYSB-UHFFFAOYSA-N;128.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212677;MM212677;NN=C(NO)OCC(N)=O;FNTXKSCANZEPGY-UHFFFAOYSA-N;148.12;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212678;MM212678;CC(CO)N(O)C=NC=N;FCUILWJZNQSYAL-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212679;MM212679;CON=CC1C(C)C1N;YFUKNUINFGNOCE-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212680;MM212680;CON=CC1C(N)C1O;VHXRMWOSPXKWLW-UHFFFAOYSA-N;130.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212681;MM212681;C=NNCC(OC)C(C)O;MGJBIAIULMUVLY-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212682;MM212682;COC(=NCCO)N(C)O;ZAUHHSCZRQUUTI-UHFFFAOYSA-N;148.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212683;MM212683;CCC=CC1C(C)N1C;OJZZSBZKWRQWOA-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212684;MM212684;CC1C(C=CCN)N1C;KFAOJSJKCQAGSX-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212685;MM212685;CC1C(C=CCF)N1C;CYAJXHRNQXDQGU-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212686;MM212686;COC=CC1C(C)N1C;IGYHVVZZGJVIEJ-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212687;MM212687;CON=CC1C(C)N1C;YBZADFGCJAHDMB-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212688;MM212688;CCN=CN1C(C)C1C;NNMALXSEDGMJGW-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212689;MM212689;CON=CN1C(C)C1C;FVFMIEGXKQWBPG-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212690;MM212690;CCC=NN1C(C)C1C;MELWKWHJCKVAIV-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212691;MM212691;C#CC(CF)C(CO)=NN;KDDNETCFIUHQQE-UHFFFAOYSA-N;144.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212692;MM212692;C=CC(=CF)C(CO)=NN;CVUPHLWPSYYZPH-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212693;MM212693;COC=NN1C(C)C1C;QJBOQTNAEZEILT-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212694;MM212694;C=CC=CC1C(C)C1C;ULMAZGMVJDIENI-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212695;MM212695;CC1C(C)C1C=CC=O;OUIHUONPRNUPHX-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212696;MM212696;CC1C(C)C1C=CC#N;IWJZUMRASUXRJC-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212697;MM212697;C=CC=CC1C(C)C1N;TUDBRVOGYGRFDI-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212698;MM212698;C=NN=C1C=C(C=O)NC1;CHCMKTHIJIEVRX-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212699;MM212699;C=Cc1cc(CCC)n[nH]1;FAWRJLGOOCUFHP-UHFFFAOYSA-N;136.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212700;MM212700;C=CC=CC1C(C)C1F;YABYUTSWXSKTTC-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212701;MM212701;CC1C(F)C1C=CC=O;NFOROPVQMNXZBJ-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212702;MM212702;CC1C(F)C1C=CC#N;HOVJIFCESDPNSF-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212703;MM212703;C=CC=CC1C(N)C1N;WWKQKZJHDWJXNX-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C1";;;;;;;0.94;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212704;MM212704;C=CC=CC1C(N)C1O;FNPAPGSSGNFJGB-UHFFFAOYSA-N;125.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C1";;;;;;;1.8;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212705;MM212705;C=CC=CC1C(N)C1F;VOAJXFRRONCJPA-UHFFFAOYSA-N;127.16;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212706;MM212706;C=CC=CC1C(O)C1O;KXFSXHGLZNQSRM-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212707;MM212707;O=CC=CC1C(O)C1O;AITIFWHIDLFCNU-UHFFFAOYSA-N;128.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212708;MM212708;N#CC=CC1C(O)C1O;RBMHFEIKWCOEGX-UHFFFAOYSA-N;125.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212709;MM212709;C=CC=CC1C(O)C1F;ZTKNQMGQWIZBED-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212710;MM212710;N#CC=CC1C(O)C1F;FVNBIMLITSGEAM-UHFFFAOYSA-N;127.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212711;MM212711;C=CC=CC1C(F)C1F;BRQBKEHSHMNNCC-UHFFFAOYSA-N;130.14;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212712;MM212712;N#CC=CC1C(F)C1F;ZJMVEHMTFHJPOC-UHFFFAOYSA-N;129.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212713;MM212713;C=NN=CC1C(C)C1C;KGIWZIMTDNOKQJ-UHFFFAOYSA-N;124.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212714;MM212714;C=NN=CC1C(C)C1O;JQLATKVGZTZDFH-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212715;MM212715;C=NN=CC1C(N)C1N;SBOUZNWSZRHDSM-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212716;MM212716;C=NN=CC1C(N)C1O;WOFJVNKTQAZBDI-UHFFFAOYSA-N;127.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212717;MM212717;C=NN=CC1C(O)C1O;MCCFQSSTBMHSFT-UHFFFAOYSA-N;128.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212718;MM212718;C=NN=CC1C(O)C1F;WTUHNGYUSWBWPV-UHFFFAOYSA-N;130.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212719;MM212719;C=CC=CC1C(C)N1C;ORFKGJLPEOTQCQ-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212720;MM212720;CC1C(C=CC#N)N1C;GLFODPNWESDKRS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212721;MM212721;CC1C(C)N1C=CC=O;IUMFVTMDZADEHO-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212722;MM212722;CC1C(C)N1C=CC#N;AIGIHMYIYZSESL-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212723;MM212723;CC1C(C)N1C=NC=O;PIYDAWYWFHKIQE-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212724;MM212724;C=NN=CN1C(C)C1C;KMMJGBXBIPHMQU-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212725;MM212725;C=CC=NN1C(C)C1C;MOOPLZVWZOTKEB-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212726;MM212726;CC1C(C)N1N=CC=O;BCHQPSOJWDEWID-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212727;MM212727;CC1C(C)N1N=CC#N;CSTPAURQUANJRU-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212728;MM212728;C#CC=CC1C(C)C1C;ALOIRDFTJSCZKN-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212729;MM212729;C#CC=CC1C(C)C1N;IZCGHMQQELXWBN-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212730;MM212730;CCN1CC1C(CO)=NN;IREYAOVFRLXMAW-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212731;MM212731;C#CC=CC1C(C)C1F;MZFBCJVWCRWNKT-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212732;MM212732;C#CC=CC1C(N)C1N;RKGDAELTSXSXCN-UHFFFAOYSA-N;122.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212733;MM212733;C#CC=CC1C(N)C1O;BRPFTLSFXUTMFJ-UHFFFAOYSA-N;123.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212734;MM212734;C#CC=CC1C(N)C1F;GRUQHQBJVSAOID-UHFFFAOYSA-N;125.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212735;MM212735;C#CC=CC1C(O)C1F;NIZBGEOJLAZXLG-UHFFFAOYSA-N;126.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212736;MM212736;C#CC=CC1C(C)N1C;VEGIVSUTKUWYAS-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212737;MM212737;C#CC=NN1C(C)C1C;HCKHFCUBJNNQKF-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212738;MM212738;CCC#CC1C(C)C1C;VNJBMCGBOAGWMO-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212739;MM212739;CC1C(C)C1C#CCN;PKKJQWSGILSRQE-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212740;MM212740;CC1C(C)C1C#CCO;UDEJCSFJZZLLIM-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212741;MM212741;CC1C(C)C1C#CCF;BLIAMHGIRZCLPD-UHFFFAOYSA-N;126.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212742;MM212742;CCC#CC1C(C)C1N;OOWXLFVPOXXLQB-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212743;MM212743;CC1C(N)C1C#CCN;ONPIBPOMVOJURZ-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212744;MM212744;CC1C(N)C1C#CCO;NFCYAOMEWZLKOX-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212745;MM212745;CC1C(N)C1C#CCF;WUVUFOHHUQPISN-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212746;MM212746;C#CC#CCC(=O)C1CN1;OBOFKCXHNNGZKU-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212747;MM212747;CC1C(O)C1C#CCN;QXUBCUXKAZJBJP-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212748;MM212748;CC1C(O)C1C#CCO;IKCAIQPTEYGOQI-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212749;MM212749;CC1C(O)C1C#CCF;ZEHBBEMMAXXWPF-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212750;MM212750;CCC#CC1C(C)C1F;OFXJCPAEDQQMRB-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212751;MM212751;CC1C(F)C1C#CCN;DJUWWZHURVTCQM-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212752;MM212752;CC1C(F)C1C#CCO;GTDOHLCRCTXXCJ-UHFFFAOYSA-N;128.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212753;MM212753;CC1C(F)C1C#CCF;JUTJUQMWRCKKBZ-UHFFFAOYSA-N;130.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212754;MM212754;CCC#CC1C(N)C1N;CNZANMDXAJNIGS-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212755;MM212755;NCC#CC1C(N)C1N;XQBUSNZHENKKHS-UHFFFAOYSA-N;125.18;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212756;MM212756;NC1C(N)C1C#CCO;RYTCQBQEFHUQFM-UHFFFAOYSA-N;126.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212757;MM212757;NC1C(N)C1C#CCF;AAXMKEMEHXLFAT-UHFFFAOYSA-N;128.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212758;MM212758;CCC#CC1C(N)C1O;BEYHGEARURTXNN-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212759;MM212759;NCC#CC1C(N)C1O;HXXBPKIUJWWHCB-UHFFFAOYSA-N;126.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212760;MM212760;NC1C(O)C1C#CCO;BBSSWMOULQZDIE-UHFFFAOYSA-N;127.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212761;MM212761;NC1C(O)C1C#CCF;KOXIYXCWZSZELI-UHFFFAOYSA-N;129.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212762;MM212762;NCC#CC1C(N)C1F;BFUFKYFAZHUQDR-UHFFFAOYSA-N;128.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212763;MM212763;CCC#CC1C(O)C1O;OGXDTUITBRSTCA-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212764;MM212764;NCC#CC1C(O)C1O;OLBMHEQFOATGJW-UHFFFAOYSA-N;127.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212765;MM212765;OCC#CC1C(O)C1F;QKJJQISTSUDAAH-UHFFFAOYSA-N;130.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212766;MM212766;OC1C(F)C1C#CCF;XUMMTPQBEQXLIB-UHFFFAOYSA-N;132.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212767;MM212767;CCC#CC1C(F)C1F;CGMWFTOGEYCDPM-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212768;MM212768;NCC#CC1C(F)C1F;JBNBYMUQVWDBBT-UHFFFAOYSA-N;131.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212769;MM212769;FCC#CC1C(F)C1F;VMXZSDZPDPEMLK-UHFFFAOYSA-N;134.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212770;MM212770;CCC#CC1C(C)N1C;GDTBFDDQZOIIJI-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212771;MM212771;CC1C(C#CCN)N1C;JATGCDJWGNBNLF-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212772;MM212772;CC(C(CO)=NN)N1CC1;GBBXLTTUWGNZKW-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212773;MM212773;CC1C(C#CCF)N1C;JHWHMXWIASADTB-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212774;MM212774;C=CC#CC1C(C)C1C;LBMOODYMPYMOKS-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212775;MM212775;CC1C(C)C1C#CC=O;MZXFWRAVKOXEGQ-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212776;MM212776;CC1C(C)C1C#CC#N;XCJNSZOZKTXWAG-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212777;MM212777;C=CC#CC1C(C)C1N;BCWRCVRDISNXLE-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212778;MM212778;C=CC#CC1C(C)C1O;HLRFVYJNIWWQRH-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212779;MM212779;CC1C(O)C1C#CC=O;QWNFUGCPTMWFKE-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212780;MM212780;CC1C(O)C1C#CC#N;XIMMLRFISOFDDP-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212781;MM212781;C=CC#CC1C(C)C1F;DVVKCXBEODTFJF-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212782;MM212782;CC1C(F)C1C#CC=O;JFADLMKMLGOEEF-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212783;MM212783;CC1C(F)C1C#CC#N;CZRFWRVXLGTNLL-UHFFFAOYSA-N;123.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212784;MM212784;C=CC#CC1C(N)C1N;ATALTTXZQILQCR-UHFFFAOYSA-N;122.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212785;MM212785;C=CC#CC1C(N)C1O;DCSDSRKAOJBZJS-UHFFFAOYSA-N;123.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212786;MM212786;C=CC#CC1C(O)C1O;ZVQKBNAWNVCBHW-UHFFFAOYSA-N;124.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212787;MM212787;N#CC#CC1C(O)C1O;NCJBLIRSXJWQGE-UHFFFAOYSA-N;123.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212788;MM212788;C=CC#CC1C(O)C1F;JINRJTXXIPMNPR-UHFFFAOYSA-N;126.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212789;MM212789;O=CC#CC1C(O)C1F;HJORDVITOWZNRV-UHFFFAOYSA-N;128.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212790;MM212790;N#CC#CC1C(O)C1F;GJLMHDAJVNJBRD-UHFFFAOYSA-N;125.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212791;MM212791;C=CC#CC1C(F)C1F;WRFBWJDBSCLCLS-UHFFFAOYSA-N;128.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212792;MM212792;N#CC#CC1C(F)C1F;NLJCNWBZRJXXSO-UHFFFAOYSA-N;127.09;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212793;MM212793;C=CC#CC1C(C)N1C;MYSKKQGGKPZCLX-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212794;MM212794;CC1C(C#CC=O)N1C;SXBOAFYDUYEORC-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212795;MM212795;CC1C(C#CC#N)N1C;VDPNSXAEQWBPOO-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212796;MM212796;C#CC#CC1C(C)C1C;GEPUGBANMKXNKJ-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212797;MM212797;C#CC#CC1C(C)C1N;DYZICCXELQZBBK-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212798;MM212798;C#CC#CC1C(C)C1O;AEJCEOSQJVEVGO-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212799;MM212799;C#CC#CC1C(C)C1F;LQBRAWOBHWYWAK-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212800;MM212800;C#CC#CC1C(N)C1N;CSBTVEKJOWRPEQ-UHFFFAOYSA-N;120.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212801;MM212801;C#CC#CC1C(N)C1O;OGFAKCFXPWIGRF-UHFFFAOYSA-N;121.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212802;MM212802;C#CC#CC1C(O)C1O;LNHMAERGXBJIKK-UHFFFAOYSA-N;122.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212803;MM212803;C#CC#CC1C(O)C1F;HFQFDUHWHLMEGL-UHFFFAOYSA-N;124.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212804;MM212804;C#CC#CC1C(F)C1F;AYNNOQREPKKMBT-UHFFFAOYSA-N;126.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212805;MM212805;C#CC#CC1C(C)N1C;INBGYUJDAVXENI-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212806;MM212806;CCCCCCCCC;BKIMMITUMNQMOS-UHFFFAOYSA-N;128.26;3.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212807;MM212807;CCCCCCCCN;IOQPZZOEVPZRBK-UHFFFAOYSA-N;129.25;2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212808;MM212808;CNC(=O)C(=N)N(C)O;IWEPXKVUEPNBRH-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212809;MM212809;CCCCCCCCF;DHIVLKMGKIZOHF-UHFFFAOYSA-N;132.22;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212810;MM212810;NCCCCCCCN;PWSKHLMYTZNYKO-UHFFFAOYSA-N;130.24;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212811;MM212811;NCCCCCCCO;KYJSXYQQYWMITG-UHFFFAOYSA-N;131.22;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212812;MM212812;NCCCCCCCF;UUQQOJIPZZOPGZ-UHFFFAOYSA-N;133.21;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212813;MM212813;NN=C(C=CCO)CO;ABDIEYQMOFTLSN-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212814;MM212814;CCCCCCCNC;LTGYRKOQQQWWAF-UHFFFAOYSA-N;129.25;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212815;MM212815;CNCCCCCCN;OYFWLCJAPSAGCG-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212816;MM212816;CNCCCCCCO;RURWAYHDLRPVAE-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212817;MM212817;CNCCCCCCF;XLHMCYULOFOKHJ-UHFFFAOYSA-N;133.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212818;MM212818;CCCCCCCOC;GTQXEQRIVGXSAE-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212819;MM212819;COCCCCCCN;UVOBODVSFRKUQX-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212820;MM212820;COCCCCCCF;IRDWOWJPGRCPQK-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212821;MM212821;CNCCCCCOC;BPZYTOVCVFNLRG-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212822;MM212822;COCCCCCOC;NFCBHIFOKVDBCJ-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212823;MM212823;CCCCCCNCC;WSTNFGAKGUERTC-UHFFFAOYSA-N;129.25;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212824;MM212824;CCNCCCCCN;PYMBPKPYZVMBOG-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212825;MM212825;CCNCCCCCO;GZIGHROPGNILHK-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212826;MM212826;CCNCCCCCF;IOFYNHOSXWUVFO-UHFFFAOYSA-N;133.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212827;MM212827;CCNCCCCOC;CHMWKCDORGJMJC-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212828;MM212828;CCCCCCOCC;ZXHQLEQLZPJIFG-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212829;MM212829;CCOCCCCCN;UGIPXLUABAGJDS-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212830;MM212830;CCOCCCCOC;DFCCXBQUXOSGFY-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212831;MM212831;CCNCCCNCC;BEPGHZIEOVULBU-UHFFFAOYSA-N;130.24;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212832;MM212832;CCNCCCOCC;NHCBGOLCVIYTMT-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212833;MM212833;CCCCCNCCC;GFAQQAUTKWCQHA-UHFFFAOYSA-N;129.25;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212834;MM212834;CCCCCNCCN;ARAZOETUQJGUOY-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212835;MM212835;CCCCCNCCO;SALYKAIZVOFAEJ-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212836;MM212836;CCCCCNCCF;JAKHISSMEPCXMR-UHFFFAOYSA-N;133.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212837;MM212837;CCCNCCCCN;GHQFRBNLAGNQOE-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212838;MM212838;NCCCCNCCN;VRPPEXGZBZBARW-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212839;MM212839;NCCCCNCCO;FJAOJVGLIUIDIX-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212840;MM212840;NCCCCNCCF;SPRZOAWHIWMTBQ-UHFFFAOYSA-N;134.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212841;MM212841;CCCNCCCCO;MGRXNAJUQKEJJB-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212842;MM212842;NCCNCCCCO;BREALZQYMJKZGJ-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212843;MM212843;OCCCCNCCF;KCKRQFVBBNPMGC-UHFFFAOYSA-N;135.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212844;MM212844;CNCCCNCCN;QPRZGYQCLSVVIN-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212845;MM212845;CNCCCNCCO;RQJGGOVMCYFLKI-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212846;MM212846;CCCNCCCOC;HYUDHAJLXAGAGH-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212847;MM212847;COCCCNCCF;NZEYUYVNGIJCKD-UHFFFAOYSA-N;135.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212848;MM212848;CCCNCCNCC;OERPOZXBQMJPHK-UHFFFAOYSA-N;130.24;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212849;MM212849;CCNCCNCCN;NVSOSQNIJKZFBR-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212850;MM212850;CCCNCCOCC;IKQYXWYZNWOCCV-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212851;MM212851;CCOCCNCCO;RUDUVMFDZBMVPE-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212852;MM212852;CCCCCOCCC;DMUSSSYUUUYJRM-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212853;MM212853;CCCCCOCCN;RFONZLGCNSSOMH-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212854;MM212854;CCCCCOCCO;QVQDALFNSIKMBH-UHFFFAOYSA-N;132.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212855;MM212855;CCCCCOCCF;KPFRUNKOQKUMST-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212856;MM212856;CCCOCCCCN;BAQNAQUBYJGZAP-UHFFFAOYSA-N;131.22;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212857;MM212857;NCCCCOCCO;FUSJMHOECMCAEU-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212858;MM212858;OCCCCOCCO;NAUQRAYPVWKGHO-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212859;MM212859;CCCOCCCCF;CPFLAMPLTVXWOL-UHFFFAOYSA-N;134.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212860;MM212860;NCCOCCCCF;VBRQVUXOKKYWAC-UHFFFAOYSA-N;135.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212861;MM212861;CCCCCOCOC;ZHZJQLFPBLCILI-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212862;MM212862;COCOCCCCN;UISQJOOYBZFPBT-UHFFFAOYSA-N;133.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212863;MM212863;COCOCCCCO;JGQYQZFUQKKAIF-UHFFFAOYSA-N;134.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212864;MM212864;CCCOCCCNC;RNEJNSIHHQOACJ-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212865;MM212865;CNCCCOCCO;XNOQLOBLSIFFSE-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212866;MM212866;COCCCOCCN;FELLHWJAUQSSNB-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212867;MM212867;COCCCOCCO;YYIOSNBPOLUPST-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212868;MM212868;COCCCOCOC;YTXUOYYVMSXULC-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212869;MM212869;CCCOCCNCC;XZSUQWJCQKJQDQ-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212870;MM212870;CCNCCOCCN;VQUWJUIPMCCLSD-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212871;MM212871;CCNCCOCCO;CQRNPUSDYPNGDN-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212872;MM212872;CCNCCOCOC;GHIQOABTRMFFEX-UHFFFAOYSA-N;133.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212873;MM212873;CCCOCCOCC;MZBACIJSSOHXQA-UHFFFAOYSA-N;132.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212874;MM212874;CCOCCOCCN;KURRHYKFNUZCSJ-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212875;MM212875;CCOCCOCCO;XXJWXESWEXIICW-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212876;MM212876;CCCOCOCCC;HOMDJHGZAAKUQV-UHFFFAOYSA-N;132.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212877;MM212877;CCCOCOCCF;IJEIXTQPBKICCR-UHFFFAOYSA-N;136.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212878;MM212878;NCCOCOCCN;RNZADDREKMLIBY-UHFFFAOYSA-N;134.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212879;MM212879;NCCOCOCCO;FCSQWUTVSAQIED-UHFFFAOYSA-N;135.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212880;MM212880;OCCOCOCCO;YSPADHLUBJTJLN-UHFFFAOYSA-N;136.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212881;MM212881;OCCOCOCCF;JKHZAJWFYQIKLM-UHFFFAOYSA-N;138.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212882;MM212882;COCOCOCCN;HJHFEINFGXTHER-UHFFFAOYSA-N;135.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212883;MM212883;COCOCOCCO;MNFRNYALDPRMAV-UHFFFAOYSA-N;136.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212884;MM212884;CCCCNCCCC;JQVDAXLFBXTEQA-UHFFFAOYSA-N;129.25;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212885;MM212885;CCCCNCCCN;MIFWXJNZWLWCGL-UHFFFAOYSA-N;130.24;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212886;MM212886;CCCCNCCCO;PQSKSJLILUQYQM-UHFFFAOYSA-N;131.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212887;MM212887;CCCCNCCCF;HJCURUIBVLLHCW-UHFFFAOYSA-N;133.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212888;MM212888;NCCCNCCCN;OTBHHUPVCYLGQO-UHFFFAOYSA-N;131.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212889;MM212889;NCCCNCCCO;LJSUIIHXGIFTAO-UHFFFAOYSA-N;132.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212890;MM212890;CCCCNCCNC;FKSAEXHMYJQBCY-UHFFFAOYSA-N;130.24;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212891;MM212891;CNCCNCCCN;APLMNOUBJYWJMM-UHFFFAOYSA-N;131.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212892;MM212892;CNCCNCCCO;WDVJXGGWHLHUBY-UHFFFAOYSA-N;132.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212893;MM212893;CCCCNCCOC;KBFNFQKDHFXGNQ-UHFFFAOYSA-N;131.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212894;MM212894;COCCNCCCN;LCVKUHWARTYVOZ-UHFFFAOYSA-N;132.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212895;MM212895;COCCNCCOC;IBZKBSXREAQDTO-UHFFFAOYSA-N;133.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212896;MM212896;CCCCOCCCC;DURPTKYDGMDSBL-UHFFFAOYSA-N;130.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212897;MM212897;NCCCOCCCO;ZHEZZDWAXWFREJ-UHFFFAOYSA-N;133.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212898;MM212898;OCCCOCCCO;SZXQTJUDPRGNJN-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212899;MM212899;CNCCOCCCO;SKVMFPJTLMIOOM-UHFFFAOYSA-N;133.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212900;MM212900;COCCOCCCN;PWGVOCGNHYMDLS-UHFFFAOYSA-N;133.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212901;MM212901;COCCOCCCO;NKZGOQAUTCWEQF-UHFFFAOYSA-N;134.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212902;MM212902;CNCCOCCNC;VXPJBVRYAHYMNY-UHFFFAOYSA-N;132.21;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212903;MM212903;CCOCOCCNC;QSOQPZCPSFDMGE-UHFFFAOYSA-N;133.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212904;MM212904;C=CCCCCCCC;JRZJOMJEPLMPRA-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212905;MM212905;CCCCCCCC#N;YSIMAPNUZAVQER-UHFFFAOYSA-N;125.22;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212906;MM212906;C=CCCCCCCN;HOMWBVGCEKMCBR-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212907;MM212907;C=Cc1ccc(N=N)[nH]1;XNROGKWJGHPXFT-UHFFFAOYSA-N;121.14;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212908;MM212908;NN=C(CO)CN1CC1;VGDYXAQCYXIZNH-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212909;MM212909;C=CC(O)CN(N)C(C)=O;DNCXHYLDAAVTPO-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212910;MM212910;C=CCCCCCCF;NVMNTFQCVYRGAT-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212911;MM212911;O=CCCCCCCF;ZKAOXODYSBGNRK-UHFFFAOYSA-N;132.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212912;MM212912;N#CCCCCCCF;CFSMWCPJTYADHU-UHFFFAOYSA-N;129.18;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212913;MM212913;C=CCCCCCNC;RHYADGCARWUNMC-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212914;MM212914;COCCCCCC=O;AFSOGVGHFCKBOW-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212915;MM212915;COCCCCCC#N;JUYLTNNLOWYDEB-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212916;MM212916;CCCCCCNC=N;MXYLYXVSAQZWFI-UHFFFAOYSA-N;128.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212917;MM212917;C=C(F)C(=N)NOC(N)=O;OHPDGAMUSOBXCE-UHFFFAOYSA-N;147.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212918;MM212918;NCCCCCNC=O;DCDFYDJCNWNFFZ-UHFFFAOYSA-N;130.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212919;MM212919;N=CNCCCCCO;HDVYUPCYKULMRB-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212920;MM212920;CC(CO)=NN(C)CCO;ZVBBCKJSWXSKFW-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212921;MM212921;C=NNCCCCCC;PGEYGTUDMJTJAJ-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212922;MM212922;CNCCCCNC=N;XTGVYVCHFSBICZ-UHFFFAOYSA-N;129.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212923;MM212923;C=COCCCCCC;YAOJJEJGPZRYJF-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212924;MM212924;CCCCCCOC=O;OUGPMNMLWKSBRI-UHFFFAOYSA-N;130.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212925;MM212925;C=COCCCCCN;HRTHDIYBNJQCTF-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212926;MM212926;CC(O)CN(O)C(=N)C=O;IRGGRXNBRXKULY-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212927;MM212927;C=NOCCCCCC;JTQOCYFTXOLAFE-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212928;MM212928;C=NOCCCCCN;WKEQCNFFHCAJBK-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212929;MM212929;C=NOCCCCCF;IUJHBXZKKCXZLU-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212930;MM212930;C=COCCCCNC;AYXWOBPWKQFIKD-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212931;MM212931;C=COCCCCOC;RCRRYCRTBURQSZ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212932;MM212932;COCCCCOC=O;BHRVRMNBYRUWGY-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212933;MM212933;C=CCCCCNCC;CLUIVQIXTWWIEG-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212934;MM212934;C=COCCCNCC;PDVFLYUKYYBRMT-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212935;MM212935;C=CCCCCOCC;QYPFPZKJHRQNIJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212936;MM212936;CCOCCCCC=O;BCIRIYVFTVIZSE-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212937;MM212937;CCOCCCCC#N;JYGULFULSMQFTK-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212938;MM212938;C=COCCCOCC;MUMBMUMIEGCCII-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212939;MM212939;CCOCCCOC=O;KMZVRRMSIMRTLJ-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212940;MM212940;C=CCNCCCCC;QRXLGCDDQNMYOQ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212941;MM212941;CCCCCNCC#N;UYSWGJRTNAKZIE-UHFFFAOYSA-N;126.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212942;MM212942;CN(C)N=C(CO)CC#N;SGGQYOZUOOAHGI-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212943;MM212943;C=CCNCCCCF;FONAUPMYLKOXPI-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212944;MM212944;CNCCCNCC=O;UVVHLNFBGNRMAE-UHFFFAOYSA-N;130.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212945;MM212945;C=CCNCCCOC;CAEHTINURXYZCW-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212946;MM212946;COCCCNCC=O;SBMWSISCMZKQDQ-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212947;MM212947;COCCCNCC#N;VCCMCCBOWQPRIG-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212948;MM212948;C#CCC(CO)=NN(C)C;HTUNKPQSPRGOTI-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212949;MM212949;N=CNNCCCCN;VFPWSWOFHGAKDC-UHFFFAOYSA-N;130.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212950;MM212950;NCCCCNNC=O;XOEPPHPANWEIPB-UHFFFAOYSA-N;131.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212951;MM212951;N=CNNCCCCO;BYJGHAGCQGOKTB-UHFFFAOYSA-N;131.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212952;MM212952;CNCCCNNC=N;GNEWMGRMVOQHHL-UHFFFAOYSA-N;130.2;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212953;MM212953;CNCCCNNC=O;ZMVJTQJBUZVUMC-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212954;MM212954;COCCCNNC=N;LXSAGJDYRMFBKN-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212955;MM212955;CN1C2CC3(O)CC3(C)C21;XSDWHCRHMHITMP-UHFFFAOYSA-N;139.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212956;MM212956;CCNCCNNC=O;BAIMJPZUMXEKHC-UHFFFAOYSA-N;131.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212957;MM212957;C=CCNCCOCC;TZASEAYNMYZIRS-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212958;MM212958;CCOCCNNC=N;FLIXMEIXXOUKRF-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212959;MM212959;CCNC(C=O)(C=O)CO;BENAOKQNAZSFNN-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212960;MM212960;C=CCOCCCCC;QHOPNDWHOHMZPV-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212961;MM212961;CCCCCOCC#N;FFXKVEYEQRXCTL-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212962;MM212962;C=CCOCCCCO;CTDRAOLVEHKAAZ-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212963;MM212963;O=CCOCCCCO;HXQNTAILSGXHBS-UHFFFAOYSA-N;132.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212964;MM212964;C=CCOCCCCF;LLNAQAITWGLNMW-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212965;MM212965;C=CCOCCCNC;SQIABSXUCQNHTK-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212966;MM212966;C=CCOCCCOC;ZFWXZDHGJPWMAN-UHFFFAOYSA-N;130.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212967;MM212967;CCCCCONC=N;ZEOWDACLUGYPQF-UHFFFAOYSA-N;130.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212968;MM212968;N=CNOCCCCN;VNQNBHSJKXEDJH-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212969;MM212969;O=CNOCCCCO;DAUUKQXZAGRYNY-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212970;MM212970;CNCCCONC=N;IBFUZYJZFMNEAP-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212971;MM212971;C=CCOCCNCC;CRWWQSVFGDCPQT-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212972;MM212972;CCNCCOCC#N;VTGNZCDQZKKRDA-UHFFFAOYSA-N;128.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212973;MM212973;CCNCCONC=N;ZTCUCUMRFRCXPS-UHFFFAOYSA-N;131.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212974;MM212974;C=CCOCCOCC;MSCKBWFLKSZLSW-UHFFFAOYSA-N;130.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212975;MM212975;CCOCCOCC=O;VAKGZFIDFWQAJM-UHFFFAOYSA-N;132.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212976;MM212976;CCOCCONC=O;PPODUOWEASDTCL-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212977;MM212977;C=CCCCNCCC;SPYKROYIAAYYAN-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212978;MM212978;CCCNCCCC=O;HFWZFWYXXJEXBN-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212979;MM212979;O=CCCCNCCO;URMPQNAYYMASLI-UHFFFAOYSA-N;131.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212980;MM212980;N#CCCCNCCO;UPMFYEQNELYYCA-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212981;MM212981;C=CCCCNCCF;SPGUWIDFLHYOCR-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212982;MM212982;CCCNCCNC=O;DHHPWAKKOUDONR-UHFFFAOYSA-N;130.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212983;MM212983;N=CNCCNCCN;ZYFVAQUPGLEYAM-UHFFFAOYSA-N;130.2;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212984;MM212984;N=CNCCNCCO;DNMKERAJNRNIIB-UHFFFAOYSA-N;131.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212985;MM212985;O=CNCCNCCO;IQWRJPBGYCXIMB-UHFFFAOYSA-N;132.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212986;MM212986;C=NNCCNCCO;CIQXPVQUVXHKBF-UHFFFAOYSA-N;131.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212987;MM212987;C=COCCNCCC;HRWWZVHZFWUCSZ-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212988;MM212988;C=COCCNCCN;GINZDUMJGFWWTA-UHFFFAOYSA-N;130.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212989;MM212989;C=COCCNCCO;VFWJIRZNZHAGOS-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212990;MM212990;O=COCCNCCO;YDACPJBFCUUSOX-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212991;MM212991;C=NOCCNCCN;CTQJUBRKJCNBTM-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212992;MM212992;C=CCCCOCCC;BTNLYDIWXDNJRX-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212993;MM212993;CCCOCCCC=O;VVABCOIUDFEQQT-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212994;MM212994;CCCOCCCC#N;OWRWICSZXCKEPO-UHFFFAOYSA-N;127.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212995;MM212995;C=CCCCOCCO;MIAMQROINYAJHA-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212996;MM212996;C=CCCCOCOC;NREVLWWOKQNTTJ-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212997;MM212997;N=CNCCOCCN;GGPDZMSHRQEINJ-UHFFFAOYSA-N;131.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212998;MM212998;NCCOCCNC=O;QWWWNGYUAGEDFS-UHFFFAOYSA-N;132.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM212999;MM212999;N=CNCCOCCO;SIQIUTDWGNROBA-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213000;MM213000;O=CNCCOCCO;XSFKXJUCOOIVRH-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213001;MM213001;N=CNCCOCCF;WQEADPLPQDBNRJ-UHFFFAOYSA-N;134.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213002;MM213002;O=CNCCOCCF;XYTKMGJMHSUZQC-UHFFFAOYSA-N;135.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213003;MM213003;C=NNCCOCCN;LDLLFQJPWYRYLA-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213004;MM213004;CN(C)C(C=O)(C=O)CO;AUESZVHOTRIGAQ-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213005;MM213005;C=NNCCOCCF;QWYXPQICBVGXPO-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213006;MM213006;COCOCCNC=O;HLNCOKOIVNMXDE-UHFFFAOYSA-N;133.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213007;MM213007;CCCOCCOC=O;SCWNVZTWXMKFJJ-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213008;MM213008;C=COCCOCCN;GJQRGIREPIVSAY-UHFFFAOYSA-N;131.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213009;MM213009;NCCOCCOC=O;OMACJVCTOOGYDT-UHFFFAOYSA-N;133.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213010;MM213010;C=NOCCOCCF;JLYKQQHOPPQNCU-UHFFFAOYSA-N;135.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213011;MM213011;COCOCCOC=O;NKVJCMLLWZWHFM-UHFFFAOYSA-N;134.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213012;MM213012;CCCOCOCC=O;PQWUBOPXLVOFOD-UHFFFAOYSA-N;132.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213013;MM213013;C=CCOCOCCO;KECHAKWXOXJBOF-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213014;MM213014;O=CCOCOCCF;AKGBGUGNKYZRGC-UHFFFAOYSA-N;136.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213015;MM213015;COCOCOCC=O;GWXCHRBGPNBWJC-UHFFFAOYSA-N;134.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213016;MM213016;N=CNOCOCCN;YXOUEULNXYQGSR-UHFFFAOYSA-N;133.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213017;MM213017;NCCOCONC=O;QUPILWZVBZJXQO-UHFFFAOYSA-N;134.14;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213018;MM213018;N=CNOCOCCO;LYSQSYISFIWTQK-UHFFFAOYSA-N;134.14;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213019;MM213019;O=CNOCOCCO;YJHVQSMCMDSUIA-UHFFFAOYSA-N;135.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213020;MM213020;O=CNOCOCCF;HMUQZOAZYMQINR-UHFFFAOYSA-N;137.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213021;MM213021;COCOCONC=N;VFOPEEHXDUSKNX-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213022;MM213022;COCOCONC=O;MDTSZAHGKJKSCE-UHFFFAOYSA-N;135.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213023;MM213023;C=CCCNCCCC;NVYYEMGLXURWFJ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213024;MM213024;CCCCNCCC=O;JQYAYHXKEMYLAI-UHFFFAOYSA-N;129.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213025;MM213025;C=CCCNCCCF;SMCOVKFSVZQYOD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213026;MM213026;CNCCNCCC=O;WJPCNHWXURLYMW-UHFFFAOYSA-N;130.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213027;MM213027;C=CCCOCCCC;DQBLWVOFEZVBFT-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213028;MM213028;CCCCOCCC=O;UVWYDUVLXHQPSQ-UHFFFAOYSA-N;130.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213029;MM213029;O=CCCOCCCF;FAFARPVXZLMZQU-UHFFFAOYSA-N;134.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213030;MM213030;C=CCCOCCNC;AJAGCKOKEYEEDH-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213031;MM213031;CNCCOCCC=O;OBTNXYOBCLNPST-UHFFFAOYSA-N;131.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213032;MM213032;C=COCOCCCN;KBUUNUNMCWWAMG-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213033;MM213033;C=NOCOCCCC;XXNSPPMMPJPDGS-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213034;MM213034;C=NOCOCCCN;DZLQTIHLGLVVGR-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213035;MM213035;C=COCOCCNC;BSQWCYBJCHCXLN-UHFFFAOYSA-N;131.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213036;MM213036;CNCCOCOC=O;UFCKQTUFHXPLKR-UHFFFAOYSA-N;133.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213037;MM213037;C=NOCOCCNC;IUDHDAHLLHYJSA-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213038;MM213038;C=CCCOCOCC;VTWZGNQTZQLSOA-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213039;MM213039;C#CCCCCCCC;OSSQSXOTMIGBCF-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213040;MM213040;C#CCCCCCCN;REQFTYFGWVLWOQ-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213041;MM213041;CON1C=NC(C)(CO)C1;LPTRVQRRFKZCSH-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213042;MM213042;C#CCCCCCCF;ZNVKRVWGRGBKGK-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213043;MM213043;C#CCCCCCNC;LKUXRFZZQBLOEM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213044;MM213044;C#CCCCCCOC;ZVZMPQNDSKOODL-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213045;MM213045;C#CCCCCNCC;RQZMYWUHMSNRLZ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213046;MM213046;C#CCNCCCCC;PZDKPUHSLZLJNI-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213047;MM213047;C#CCNCCCCN;HDMGBCCQDXEZNJ-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213048;MM213048;C#CCNCCCNC;JJXDKOPYTQRRPU-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213049;MM213049;C#CCNCCCOC;IVHOOAYNJJHREU-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213050;MM213050;C#CCNCCNCC;VROVQGIDPGAMOB-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213051;MM213051;C#CCNCCOCC;FZZPQWQYKHEPKW-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213052;MM213052;C#CCOCCCCC;DHCRWOZLWFKUIC-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213053;MM213053;C#CCOCCCCO;IXSYJRDNEMKUIE-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213054;MM213054;C#CCOCCCCF;MUEPYRKABHYJLU-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213055;MM213055;C#CCOCCCOC;YOGMYAKHZGTUQI-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213056;MM213056;C#CCOCCNCC;IUJOBQWTQDPJIU-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213057;MM213057;C#CCOCCOCC;SWAJTUQESHEIHG-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213058;MM213058;C#CCCCNCCC;NETRYDKJQJXVIM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213059;MM213059;C#CCCCNCCN;BKYOJBAETHRPMD-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213060;MM213060;C#CCCCNCCF;RIPXGLSDMVVKAI-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213061;MM213061;C#CCCCOCCC;YSAVBBGBLWMCLI-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213062;MM213062;C#CCCCOCCN;SHPYEWMAMZWTOE-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213063;MM213063;C#CCCCOCCO;MHQBOGJUCOVNST-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213064;MM213064;C#CCCCOCCF;BCSXVGDVDPLYCM-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213065;MM213065;C#CCOCOCCC;AYUQZVGUCHAJKR-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213066;MM213066;C#CCOCOCCN;FWQBCTBJVFXNEO-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213067;MM213067;C#CCOCOCOC;NFSGEESQTHZOQN-UHFFFAOYSA-N;130.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213068;MM213068;C#CCCNCCCC;PCMXGIKISAVXMI-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213069;MM213069;C#CCCNCCCN;FUQMUYSOIHVBLT-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213070;MM213070;C#CCCNCCCF;GGLTYTNKVNAYJZ-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213071;MM213071;C#CCCNCCNC;IJAHEGJPPSMAHB-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213072;MM213072;C#CCCOCCCC;HJXYWRIDFVGKKD-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213073;MM213073;C#CCCOCCCN;DORJPYFELYWKQZ-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213074;MM213074;C#CCCOCCCO;KASYTYYSTBVTQR-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213075;MM213075;C#CCCOCCCF;GPKLOSOVUNGRHQ-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213076;MM213076;C#CCCOCCOC;XTUAFUDBFBKUEW-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213077;MM213077;C#CCCOCOCC;BXPBADNRASKECA-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213078;MM213078;C=CCCCCCC=C;VJHGSLHHMIELQD-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213079;MM213079;C=CCCCCCC=O;LIINGNMKNRSOGW-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213080;MM213080;C=CCCCCCC#N;OXOUJUXDEZZIEF-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213081;MM213081;O=CCCCCCC=O;OOLBRPUFHUSCOS-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213082;MM213082;N#CCCCCCC=O;SMNFKQSLBIZTHH-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213083;MM213083;N#CCCCCCC#N;LLEVMYXEJUDBTA-UHFFFAOYSA-N;122.17;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213084;MM213084;C=CCCCCNC=N;LKCYBXVXJUQORJ-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213085;MM213085;COC1=NC(C)(CO)CN1;GOLPEMGNRYLQCD-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213086;MM213086;C=CCCCCNN=C;UIUFELQUMXGMGA-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213087;MM213087;C=CCCCCOC=C;FWPIUPRFUYJPRN-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213088;MM213088;C=CCCCCOC=O;CXVBCVLKENXZDW-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213089;MM213089;C=COCCCCC#N;MQSNAUPBACAGPB-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213090;MM213090;O=CCCCCOC=O;YLEKXIUNJYZANM-UHFFFAOYSA-N;130.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213091;MM213091;N#CCCCCOC=O;KFKYCYXGKSUOAP-UHFFFAOYSA-N;127.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213092;MM213092;C=CCCCCON=C;QSNZQMBNNGGBDR-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213093;MM213093;C=CC(O)CN(C=O)NC;SBZLRYXLKDZDHM-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213094;MM213094;C=NOCCCNC=N;BGJBQCSXLFFWLI-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213095;MM213095;C=COCCCNN=C;ZVZDKFBMCYOVAN-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213096;MM213096;O=COCCCOC=O;AIUGKPMSYJIEKV-UHFFFAOYSA-N;132.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213097;MM213097;C=CCCCNCC=C;DAUGQRNUFWNXRI-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213098;MM213098;C=CCCCNCC=O;UZEMOAJAHRPCDG-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213099;MM213099;C=CCCCNCC#N;ZTFFNYLECPOKKN-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213100;MM213100;C=CCNCCCC=O;DOOXJVMRNJGWGC-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213101;MM213101;C=CCNCCCC#N;IOGOXODHOJLEKS-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213102;MM213102;N#CCCCNCC#N;YAQPINIYLIKJGR-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213103;MM213103;N=CNNCCCC=O;RBMBXJXVGRPAMN-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213104;MM213104;CN(C=O)CC(CO)=NN;OYJLPGSGWRQTPG-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213105;MM213105;C=CCNCCNC=N;SIBWYMDWDANLER-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213106;MM213106;C=CCNCCNC=O;LFERLDJDLCXIRA-UHFFFAOYSA-N;128.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213107;MM213107;N=CNCCNNC=N;AECMKJRIIKMHLM-UHFFFAOYSA-N;129.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213108;MM213108;N=CNNCCNC=O;UBOJGXHRVSWJIW-UHFFFAOYSA-N;130.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213109;MM213109;C=NNCCNNC=N;HBZUGQZUOQKDSN-UHFFFAOYSA-N;129.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213110;MM213110;C#CC(F)=CC(CO)=NN;PCQXHIKMLSRDFL-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213111;MM213111;C=CCNCCOC=C;WBRVRBWQCYAATA-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213112;MM213112;N#CCNCCOC=O;SSEMHJPAOATNES-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213113;MM213113;C=CC(C#CC(N)=O)=NN;BJQFJHDZWKRKML-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213114;MM213114;C=NNCC(O)C=CCC;AWMGLXAXNFEVAX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213115;MM213115;C=NOCCNNC=N;GKYDEJZKXYWYKJ-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213116;MM213116;C=CCCCOCC=C;GAGOVKZZDFDLML-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213117;MM213117;C=CCCCOCC#N;MNANAGQGNYVQDE-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213118;MM213118;C=CCOCCCC=O;OGOBEXBNRNHSEO-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213119;MM213119;C=CCOCCCC#N;GKHCCKQEXDTWRZ-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213120;MM213120;O=CCCCOCC=O;DQUOWFFFNSMFBV-UHFFFAOYSA-N;130.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213121;MM213121;C=CCCCONC=N;JOQCDRMTCVCILV-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213122;MM213122;O=CCCCONC=O;LLJSWQOCYDIWAG-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213123;MM213123;N#CCOCCNC=N;NQAZSMKTEVRFCR-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213124;MM213124;N#CCOCCNC=O;STFLRADQJVZARL-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213125;MM213125;O=CNCCONC=O;VSKJPYIUVAWBAS-UHFFFAOYSA-N;132.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213126;MM213126;C=CCOCCOC=C;NJGZYGHAYYACBF-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213127;MM213127;O=CCOCCOC=O;SMGBYJNZBYOFGI-UHFFFAOYSA-N;132.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213128;MM213128;C=CCOCCON=C;UKFJGLVXWFBISB-UHFFFAOYSA-N;129.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213129;MM213129;C=CC1(O)CC1CC=NN;QNTVODJMLJHGKS-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213130;MM213130;C=COCCONC=N;XZTCTTXNRDKEEK-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213131;MM213131;C=COCCONC=O;KUZXRGBEPFDVQK-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213132;MM213132;C=NOCCONC=O;JIPJKSYYVZNVJN-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213133;MM213133;C=CCOCOCC=O;CWNMGGMCRBPBIM-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213134;MM213134;C=CCOCOCC#N;FDOQWTQBESVOLJ-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213135;MM213135;N#CCOCOCC#N;SCQHTDQCTAJQBF-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213136;MM213136;C=CCOCONC=O;HGNMPZBJUXSZCS-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213137;MM213137;N=CNOCOCC=O;BNJPHAWSFBZBTP-UHFFFAOYSA-N;132.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213138;MM213138;N=CNOCONC=N;QKEXYWUNLINHAG-UHFFFAOYSA-N;132.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213139;MM213139;N=CNOCONC=O;IXYYFESDSCACKT-UHFFFAOYSA-N;133.11;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213140;MM213140;C=CCCNCCC=C;YDUIRQHSXOFAIE-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213141;MM213141;C=CCCNCCC=O;ODUBMVBCYFAKOO-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213142;MM213142;C=CCCOCCC=C;YXZMHODJXOQERH-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213143;MM213143;C=CCCOCCC=O;PUEJYAAXXBSRJA-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213144;MM213144;C=CCCOCOC=C;UARMRBHKWDPSPW-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213145;MM213145;C=COCOCCC=O;RPOWRBYARXSPHF-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213146;MM213146;C=COCOCON=C;QAWZAYUCOQTMNT-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213147;MM213147;C=NOCOCOC=O;PMCKUKZNPFMABI-UHFFFAOYSA-N;133.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213148;MM213148;C#CCCCCCC=C;HWLAICZKIKQMDN-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213149;MM213149;C#CCCCCCC=O;OEPKOGKYPMWNSI-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213150;MM213150;C#CCCCCCC#N;WFINKGLMXRXYOY-UHFFFAOYSA-N;121.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213151;MM213151;C#CCCCCNC=N;WBFBXHBEXKFOOH-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213152;MM213152;NN=CC(CO)OCCO;JFEYAGVLNIGRQX-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213153;MM213153;C#CCCCCNN=C;FRJGDHZFHMTNBC-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213154;MM213154;C#CCCCCOC=C;AKGKBFMJCILVQB-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213155;MM213155;C#CCCCCOC=O;YQYFVAHCGZRRLS-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213156;MM213156;C#CCCCCON=C;NCXXLUNGVBXGLX-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213157;MM213157;C#CCNCCCC=C;SMUROKWYWPVKIP-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213158;MM213158;C#CCOCCCC=C;XLNGLYFVZOPTOP-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213159;MM213159;C#CCOCCCC=O;KPCMDPOLBZCQGK-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213160;MM213160;C#CCOCCOC=C;OMWQTRINOAINEA-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213161;MM213161;C#CCCCNCC=C;WEEPDMBYXWOGGV-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213162;MM213162;C#CCCCNNC=N;GQTUVUBKQHTJLY-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213163;MM213163;C#CCCCOCC=C;VQQOWEQSNADJAZ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213164;MM213164;C#CCCCOCC=O;SKNYRGCQOJEMLT-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213165;MM213165;C#CCCCOCC#N;PICOREAPCWTLDI-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213166;MM213166;C#CCCCONC=N;OVTWMYNVAPROIV-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213167;MM213167;C#CCOCOCC=C;MVSZPWVBUATIQO-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213168;MM213168;C#CCOCONC=N;RSUACBSBZRFNLA-UHFFFAOYSA-N;128.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213169;MM213169;C#CCOCONC=O;PJAIWSXHWBHHJS-UHFFFAOYSA-N;129.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213170;MM213170;C#CCCNCCC=C;IPBCVUKXAWOSOX-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213171;MM213171;C#CCCNCCC=O;MSZYVVJWQWFWEX-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213172;MM213172;C#CCCOCCC=C;AQRWGPJCGHHEKS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213173;MM213173;C#CCCOCCC=O;YTKYRZJBEJJVPR-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213174;MM213174;C#CCCOCCC#N;MYMYQMPXRGBAMV-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213175;MM213175;C#CCCOCOC=C;RLFKYJJPAAOFKO-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213176;MM213176;C#CCCOCOC=O;LXZODNZNLUKJEG-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213177;MM213177;C#CCCOCON=C;YQUSBBBLULBFLR-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213178;MM213178;C#CCCCCCC#C;DMOVPHYFYSASTC-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213179;MM213179;C#CCCCNCC#C;WCHFDIJVWVFBDM-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213180;MM213180;C#CCCCOCC#C;DQHDDYGTRVLZCW-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213181;MM213181;C#CCCNCCC#C;MJPXPXXEWHFOQI-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213182;MM213182;C#CCCOCCC#C;NWFDCDRYSKSHFU-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213183;MM213183;CC=CCCCCCC;IICQZTQZQSBHBY-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213184;MM213184;CC=CCCCCCN;ZZCAJMQMCGEMOS-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213185;MM213185;NCCCCCC=CF;CPIPQPCEGWLPQU-UHFFFAOYSA-N;131.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213186;MM213186;CNN=C(C=CCO)CO;DRJNTELENHMBFP-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213187;MM213187;FC=CCCCCCF;SUMDKCGCCDUHHS-UHFFFAOYSA-N;134.17;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213188;MM213188;CCCCCCC=NN;IISVQQLSIFILOP-UHFFFAOYSA-N;128.22;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213189;MM213189;NCCCCCC=NO;KXWCFTFJORWKBI-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213190;MM213190;O=COC(=NCCO)NO;GUDRFWGMNCDSCS-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213191;MM213191;OCCCCCC=NO;WYWMRMVNRUAZHR-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213192;MM213192;NN=CCCCCCF;DAWHREBZPMJDJK-UHFFFAOYSA-N;132.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213193;MM213193;CC=CCCCCNC;SGDXZGPUWKMEOJ-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213194;MM213194;CNCCCCC=CF;IPOGUABQNDKSBG-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213195;MM213195;CC=CCCCCOC;LHKNPDWIWJXFPJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213196;MM213196;COCCCCC=CF;BRGBKQAMMJEPQD-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213197;MM213197;COCCCCC=NN;HFPKAEYQJDDODC-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213198;MM213198;CC=CCCCNCC;UQTDBMAXSKFGMS-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213199;MM213199;CCNCCCC=CF;FQHMLCAZTPOPEW-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213200;MM213200;CC=CCCCOCC;GGFYABFRUSYTCF-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213201;MM213201;CCOCCCC=NN;ZWQADUMQBMFQGE-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213202;MM213202;CCOCCCC=NO;XLHGGBXAMNGMPB-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213203;MM213203;CCCCCN=CNC;JCONCYBCSKLLQT-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213204;MM213204;CN=CNCCCCN;MMAIPZIZBLTGFJ-UHFFFAOYSA-N;129.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213205;MM213205;CN=CNCCCCO;BNOWYMUPVXZCAF-UHFFFAOYSA-N;130.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213206;MM213206;CCNCCN=CNN;KYUYZVVVOCFZQA-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213207;MM213207;CCNCCN=CNO;CYPCURQIUXMNDH-UHFFFAOYSA-N;131.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213208;MM213208;CC=COCCCCC;KFQCWYNSQDPIAE-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213209;MM213209;CC=COCCCCN;JNTUHIKSQPPGIJ-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213210;MM213210;CC=COCCCCO;UFRCCJVCWZAEBT-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213211;MM213211;CC=COCCCCF;RRZQAKPJKFAWFB-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213212;MM213212;FC=COCCCCF;TXCLZQAJHIRJAI-UHFFFAOYSA-N;136.14;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213213;MM213213;NCCCCOC=NO;WJCPZUSPPHZULY-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213214;MM213214;OCCCCOC=NO;OUMRYQCZKQAZLB-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213215;MM213215;CC=COCCCNC;GBMUGHKDQMHBIJ-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213216;MM213216;CNCCCOC=NO;QATXFAIQMCWCIG-UHFFFAOYSA-N;132.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213217;MM213217;CC=COCCCOC;ANMGDLNAJFRZPK-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213218;MM213218;CC=NOCCCCC;WJSDXVPVGVYPKL-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213219;MM213219;CC=NOCCCCN;WYWKMFLNQZLRDP-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213220;MM213220;CCN(O)C(=NC)C(N)=O;QXKRGCGKGRMNFN-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213221;MM213221;CC=NOCCCCF;QSYXYQOCHCYQAP-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213222;MM213222;CC=NOCCCNC;BQVQJZGVMBFYCL-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213223;MM213223;CC=NOCCCOC;KRPCJZRSTBMKPC-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213224;MM213224;CC=COCCNCC;YXXZZQPFFSNURK-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213225;MM213225;CC=NOCCNCC;DZEBWGJWYYIOBQ-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213226;MM213226;CC=COCCOCC;WOWCDWXORYNIAB-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213227;MM213227;CCOCCOC=CF;VLBACLPGDXZBSX-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213228;MM213228;CCOCCOC=NO;BEWXGUMEWLBKTA-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213229;MM213229;CC=NOCCOCC;LHJSXSDMSBPMEE-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213230;MM213230;CC=CCCNCCC;QBLCNOVDPVEPGF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213231;MM213231;CCCNCCC=CF;FBYFIRWJNQTTKN-UHFFFAOYSA-N;131.19;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213232;MM213232;CC=CCCNCCN;HFLXXJBKKSNYNA-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213233;MM213233;CC=CCCNCCF;YAABNFCAJZYQRJ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213234;MM213234;NCCNCCC=NO;DGFSQZMFQGXHME-UHFFFAOYSA-N;131.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213235;MM213235;CC=CCCOCCC;XWVPHZPYCCJSNJ-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213236;MM213236;CCCOCCC=CF;BKSFCFMYGWWLSX-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213237;MM213237;CC=CCCOCCN;IDWWWSDZZFLEOZ-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213238;MM213238;CC=CCCOCCO;DQCRZBHYHMKDEP-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213239;MM213239;CCCOCCC=NN;KKCLXAGGCCTLKG-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213240;MM213240;CCCOCCC=NO;GMRCKIOJADWHQA-UHFFFAOYSA-N;131.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213241;MM213241;NCCOCCC=NO;QHWXTYPDYMRFHS-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213242;MM213242;NNC(=NOCCO)NO;RPVHIYABFUNCRH-UHFFFAOYSA-N;150.14;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213243;MM213243;OCCOCCC=NO;VSVMJIKZQJVQDD-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213244;MM213244;CC=CCCOCOC;QUHAVZARICOWMW-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213245;MM213245;COCOCCC=NO;ZQWDHYWGHMVIIZ-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213246;MM213246;CC=COCOCCC;LVKQYIFGYDXSHG-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213247;MM213247;CCCOCOC=CF;CWQBXAUDHTYXHL-UHFFFAOYSA-N;134.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213248;MM213248;CC=COCOCCN;LHAGMSARIOMRHV-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213249;MM213249;NCCOCOC=CF;HVCQFZHTGVYRTN-UHFFFAOYSA-N;135.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213250;MM213250;CC=COCOCCF;OHMONPNWYFYRDJ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213251;MM213251;C#CCN(O)C(CF)=NN;TUUARHBDSHOCPJ-UHFFFAOYSA-N;145.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213252;MM213252;ON=COCOCCF;PBIXCBKCZYEJCL-UHFFFAOYSA-N;137.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213253;MM213253;CC=COCOCOC;OQRDDPCROVSONR-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213254;MM213254;COCOCOC=CF;JCBYCUDSCWZERH-UHFFFAOYSA-N;136.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213255;MM213255;CC=NOCOCCC;QVNVDRLPYMLOON-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213256;MM213256;CC=NOCOCCF;RBRCWERHEMSSSQ-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213257;MM213257;CC=CCNCCCC;AEUGPBYLZNGABC-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213258;MM213258;CC=CCNCCCN;RKQVSBIPLLRWJO-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213259;MM213259;CC=CCNCCCF;ASBXGEYSZHTBGD-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213260;MM213260;CNCCNCC=NN;JKSPAVWMBVLAIH-UHFFFAOYSA-N;130.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213261;MM213261;CNCCNCC=NO;OADBIFIDTFGXMV-UHFFFAOYSA-N;131.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213262;MM213262;CC=CCNCCOC;AXERCACLWJOCAP-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213263;MM213263;CN=CNNCCCF;RZRSHXCERXAOJA-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213264;MM213264;CNC=NNCCNC;JMOQHAGXESXAFM-UHFFFAOYSA-N;130.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213265;MM213265;CNC=NNCCOC;KFWFDQIWMJPLBV-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213266;MM213266;CC=CCOCCCC;DVSSQJKZHTWMOS-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213267;MM213267;CCCCOCC=CF;BIOXPUUNUJXTCT-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213268;MM213268;CC=CCOCCCN;JXQIIFSYKZOGRR-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213269;MM213269;CC=CCOCCCO;XAQCTESBEZQLDC-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213270;MM213270;NCCCOCC=NO;VCVTZQNPDNWJGD-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213271;MM213271;CC1CN1CC(CO)=NN;SCUDWQMKQKNJED-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213272;MM213272;OCCCOCC=NO;LYPIOTYONXJGDS-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213273;MM213273;CC=CCOCCNC;UEUKRSGSSLWZNG-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213274;MM213274;CNCCOCC=NN;LREBDLBGMSCECH-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213275;MM213275;CNCCOCC=NO;SIEQXDXZZPVKSZ-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213276;MM213276;COCCOCC=NN;KMCNNXRNBUARDZ-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213277;MM213277;COCCOCC=NO;FPQZCQPRXFXZFG-UHFFFAOYSA-N;133.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213278;MM213278;CC=CCOCOCC;VBDIXWHWVVOONG-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213279;MM213279;CCOCOCC=CF;VYTJDRRGBIATRX-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213280;MM213280;CCOCOCC=NN;AJPUXROHDATZMV-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213281;MM213281;CCCCON=CNN;RCFIZKUCRANXHJ-UHFFFAOYSA-N;131.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213282;MM213282;C#CCC(CO)=NN1CC1;ATGLCUDPDGAAFN-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213283;MM213283;CN=CNOCCCN;XTJOFDYTJLVEHU-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213284;MM213284;NCCCON=CNO;RDKGBNFDARTRLK-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213285;MM213285;Nc1c2nnnc-2[nH]n1N;FMPLGLIEVMLUNO-UHFFFAOYSA-N;139.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213286;MM213286;NN=C(CO)CCO;UJJNZGGUUUXLEP-UHFFFAOYSA-N;118.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213287;MM213287;ON=CNOCCCF;NTUXAEAGWXTNRS-UHFFFAOYSA-N;136.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213288;MM213288;CNC=NOCCNC;JVHCOJUYYMTFIC-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213289;MM213289;CNCCON=CNN;OKYYPTAURHULEA-UHFFFAOYSA-N;132.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213290;MM213290;CNCCON=CNO;LKGVJVPDMWRING-UHFFFAOYSA-N;133.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213291;MM213291;C=CCCCCC=CC;POZQPLMVTQPOTQ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213292;MM213292;C=CCCCCC=CF;AUHDEJXIIDLQLZ-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213293;MM213293;CC=CCCCCC=O;KVNBGNGISDIZRP-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213294;MM213294;CC=CCCCCC#N;USXILEVHWYGLKS-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213295;MM213295;O=CCCCCC=CF;DQUMAFYXHBWBPM-UHFFFAOYSA-N;130.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213296;MM213296;N#CCCCCC=CF;XJDXORICONJWPU-UHFFFAOYSA-N;127.16;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213297;MM213297;NC(=O)C#CC1CN1;FJCIEBBEMVPMLE-UHFFFAOYSA-N;110.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213298;MM213298;O=CCCCCC=NO;HCMRCDQEEDMBHH-UHFFFAOYSA-N;129.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213299;MM213299;N#CCCCCC=NO;LSVYNZHCKHPCDS-UHFFFAOYSA-N;126.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213300;MM213300;CC=CCCCNC=N;SWPYNAUDERERPU-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213301;MM213301;N=CNCCCC=CF;IUYCLPNUXKNCBA-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213302;MM213302;C=CC(O)CN(N)C=O;HYJHEJGPNCAHEH-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213303;MM213303;N=CNCCCC=NN;XJOGVYKAGDGAFD-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213304;MM213304;C=CC(O)CN(C)N=C;QFFJEZFZAZCKAC-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213305;MM213305;O=CNCCCC=NO;HNXVZPFIKDANBM-UHFFFAOYSA-N;130.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213306;MM213306;C=NNCCCC=CC;KMDUZNKEDATQBT-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213307;MM213307;C=COCCCC=CC;FYSWRLNIIWAIHZ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213308;MM213308;C=COCCCC=CF;SKCQZPBNHKBPAJ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213309;MM213309;O=COCCCC=CF;NWMFSHXBZIPAKX-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213310;MM213310;C=COCCCC=NO;STAPIIFQTOBEBN-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213311;MM213311;NN=CCCCOC=O;YGMTUIWLUYPNHY-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213312;MM213312;C=NOCCCC=CF;ZPHCFYITMWKHDH-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213313;MM213313;C=CCCCNC=NC;AKPKRDTXAOBSMN-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213314;MM213314;C=CCCCNC=NN;JBRWIICIVYEHEM-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213315;MM213315;CNN=C(CO)CCO;GRFLWDJJIQEAPC-UHFFFAOYSA-N;132.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213316;MM213316;C=NN1CC(C)C(O)C1;XRNKVPOOHLZFDN-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213317;MM213317;NC1=NC(CO)=CC1=O;PLSBCEZRYBHLOH-UHFFFAOYSA-N;126.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213318;MM213318;NN=CNCCNC=O;UAUMFSPLUBYLGX-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213319;MM213319;N=C1N=C(CO)C=C1F;HPGIGKDTRDTGGQ-UHFFFAOYSA-N;128.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213320;MM213320;CN=CNCCOC=O;GTUJMENGWJTTGI-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213321;MM213321;C=NOCCNC=NC;OINYQVCCMMDYQE-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213322;MM213322;CCNc1ncc(C)o1;XWYARGBISLHWAA-UHFFFAOYSA-N;126.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213323;MM213323;C=COCCNN=CC;XAEAMUMKHMCHKC-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213324;MM213324;C=CCCCOC=CC;HPWBPWCNUKKAGJ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213325;MM213325;C=CCCCOC=CF;BGZIIEDFZRNVIN-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213326;MM213326;CC=COCCCC=O;RTHQLYJKQZJPLX-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213327;MM213327;CC=COCCCC#N;KNYWLBCJEVCSBF-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213328;MM213328;O=CCCCOC=CF;QITXJPPORUNUER-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213329;MM213329;N#CCCCOC=CF;CTDWDZRANVGKBH-UHFFFAOYSA-N;129.13;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213330;MM213330;N=C1N(O)CCN1C=O;AZZLBGKBAVRYPK-UHFFFAOYSA-N;129.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213331;MM213331;O=CCCCOC=NO;NNHDUBBQQSJZIH-UHFFFAOYSA-N;131.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213332;MM213332;C=CCCCON=CC;DCNZBRYQQDCMAG-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213333;MM213333;C=C1C(CO)=NNC1C;YMXHWUBIQOLEEQ-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213334;MM213334;CC=NOCCCC#N;PDMJLWDKHITFJY-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213335;MM213335;N=CNCCOC=CF;XGWNGMPGINNNFJ-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213336;MM213336;Cc1c(N=O)c[nH]c1N;DLAXWELTBFLLKC-UHFFFAOYSA-N;125.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213337;MM213337;CC1=C(CO)N=CC1=O;KYVKUGAYDGMNDE-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213338;MM213338;C=NNCCOC=CC;KXTQVTDCOVXFNC-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213339;MM213339;CC=NOCCNC=N;UBQRTWBQZMTDGL-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213340;MM213340;C=CC(=C)C(CO)=NN;JEIXSUKRADNJHH-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213341;MM213341;C=COCCOC=CC;ZKBUDAIPAPHMIS-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213342;MM213342;C=COCCOC=CF;FBDQQHUUALRURO-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213343;MM213343;CC=COCCOC=O;GLUKWSFNBHTVCD-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213344;MM213344;O=COCCOC=CF;PFUTXTNXGJTVSQ-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213345;MM213345;C=NOCCOC=CC;OBRUEZWHXWJHHZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213346;MM213346;C=NOCCOC=CF;VQNQZEDNZVGOLS-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213347;MM213347;C=COCCON=CC;NMDGKZNIMVHXGG-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213348;MM213348;C=NOCCON=CC;ZVCFLHJFSLQFBT-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213349;MM213349;C=CCNCCC=CC;JKGVPEFOOSKPNE-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213350;MM213350;C=CCNCCC=CF;UTDRELIYEFNYSY-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213351;MM213351;CC=CCCNCC=O;WNWBHWYWCBKYQV-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213352;MM213352;CC=CCCNCC#N;WGIQXWBRRHMRDN-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213353;MM213353;C=CCNCCC=NO;ZPVIEOATXKGHJL-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213354;MM213354;CC#CCC(CO)=NN;IDZGFIZHHTVLIX-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213355;MM213355;COC(=NCCO)NO;ZDLAHTYAUFOZOU-UHFFFAOYSA-N;134.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213356;MM213356;N=CNNCCC=NN;QNVZSEAKBQWAFP-UHFFFAOYSA-N;129.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213357;MM213357;N=CNNCCC=NO;RDWBWPHYIDXOEN-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213358;MM213358;C=CCOCCC=CC;DIFRFFCNSIAMOB-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213359;MM213359;C=CCOCCC=CF;RXZBIIUYFGLGIE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213360;MM213360;CC=CCCOCC=O;YNBDRROIULOZDI-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213361;MM213361;CC=CCCOCC#N;VBDOSGNENAJXSB-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213362;MM213362;O=CCOCCC=CF;FQHVVIQRJOQWNB-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213363;MM213363;C=CCOCCC=NN;LXJKUKYAHMUODU-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213364;MM213364;C=CCOCCC=NO;ZLEOGFUYNDOKRA-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213365;MM213365;O=CCOCCC=NO;JCQOTMBJQVPLPZ-UHFFFAOYSA-N;131.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213366;MM213366;N#CCOCCC=NO;GIZZZPOXHKFNHG-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213367;MM213367;CC=CCCONC=O;PXYIXTCCQBQORT-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213368;MM213368;O=CNOCCC=NO;BJTVUVOOJAYYRI-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213369;MM213369;C=CCOCOC=CC;DJVFQAJIIQMNJG-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213370;MM213370;C=CCOCOC=CF;GSKZSBZDYYDFAZ-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213371;MM213371;CC=COCOCC=O;QEWJZYQQLQRXAF-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213372;MM213372;O=CCOCOC=CF;WJQQNDPZGYYILZ-UHFFFAOYSA-N;134.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213373;MM213373;N#CCOCOC=CF;RYVSCRZZBKKYGC-UHFFFAOYSA-N;131.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213374;MM213374;N#CCOCOC=NO;BXWCAMWUFQQXOH-UHFFFAOYSA-N;130.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213375;MM213375;C=CCOCON=CC;ZUFBXMBHOZDWCZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213376;MM213376;N=CNOCOC=CF;SEKLUGYDCDNBHJ-UHFFFAOYSA-N;134.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213377;MM213377;CC=COCONC=O;OIUPTVDTZDWQJN-UHFFFAOYSA-N;131.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213378;MM213378;N=CNOCOC=NN;GTLONJSCCZINOK-UHFFFAOYSA-N;132.12;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213379;MM213379;N=CNOCOC=NO;OANFBUSZCFPCAV-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213380;MM213380;NN=COCONC=O;TWSQWZPKSKVCLS-UHFFFAOYSA-N;133.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213381;MM213381;O=CNOCOC=NO;MLLJLITZACMRAT-UHFFFAOYSA-N;134.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213382;MM213382;C=CCCNCC=CC;ILLAVTFAEVNCRD-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213383;MM213383;C=CCCNCC=CF;AMPSFAUFBKQICJ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213384;MM213384;CC=CCNCCC=O;QDZGJMXXFBILSY-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213385;MM213385;O=CCCNCC=CF;ROUUNWGLHLEOLT-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213386;MM213386;C=CC1C=CC(=NN)O1;XGNSODWHBSQCII-UHFFFAOYSA-N;124.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213387;MM213387;C=CCCNNC=NC;WXWVWZHSPVIFDQ-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213388;MM213388;CN=CNNCCC=O;QDRGUMFZMMURGH-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213389;MM213389;CN=CNNCCC#N;LSTQITCHFROGJM-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213390;MM213390;C=CCCOCC=CF;FHRURBROSVEZIN-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213391;MM213391;CC=CCOCCC=O;RHVKQKHBFQSCOC-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213392;MM213392;O=CCCOCC=CF;LUBMSKRRIGUSMD-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213393;MM213393;C=CCCOCC=NO;DWSHXIIYBHCIOB-UHFFFAOYSA-N;129.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213394;MM213394;C=COCOCC=CC;CKVGGEQOAXQBNW-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213395;MM213395;C=COCOCC=CF;GPWUURXKHRNGFG-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213396;MM213396;N=Nc1cc(CO)c[nH]1;NQCBCTOXMFNMJC-UHFFFAOYSA-N;125.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213397;MM213397;CN=CNOCCC#N;NEDKMGYXFCPBGQ-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213398;MM213398;C=Cc1cc(CC)n[nH]1;CVOYUBSUEFIGLV-UHFFFAOYSA-N;122.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213399;MM213399;C=COCONC=NO;DXRREGNFXIZAKH-UHFFFAOYSA-N;132.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213400;MM213400;C=NNC(C=O)C(C)(C)O;KNYMIFIORLPZPK-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213401;MM213401;C=NOCONC=NO;LQVWTRWKPWTZGN-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213402;MM213402;C#CCCCCC=CC;FTCIHAWMNBGPPV-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213403;MM213403;C#CCCCCC=CF;YEEGEZLIDYNTNE-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213404;MM213404;C#CCCCCC=NN;FLBIXHQKGJXDDK-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213405;MM213405;C#CCCCCC=NO;XVEJGTAVDIOMKY-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213406;MM213406;C#CCCCNC=NC;MDWDYOAXPFSJLK-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213407;MM213407;C#CCCCNC=NN;RHUHYSBPSVTFPX-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213408;MM213408;C#CCCCNN=CC;YATQWCJBYGPYKX-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213409;MM213409;C#CCCCOC=CF;AHICDQZTDKFHCE-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213410;MM213410;CC(O)C=CN(O)C=NN;APQHOZKDKHGCMZ-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213411;MM213411;C#CCCCOC=NO;NMCMUUTYOLCLSS-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213412;MM213412;C#CCCCON=CC;OMZCJGKXPDFKFC-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213413;MM213413;C#CCNCCC=CC;HGPXCZPALQNWHF-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213414;MM213414;C#CCNCCC=CF;FXISDNVBYLHIBN-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213415;MM213415;C#CCNCCC=NN;FCFQVCSOCKYETI-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213416;MM213416;C#CCOCCC=CC;MYGZOJGNWIJCOJ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213417;MM213417;C#CCOCCC=CF;ABBPLPGUDQVJJQ-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213418;MM213418;C#CCOCOC=CC;LYOKYYLZKYAEQA-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213419;MM213419;C#CCOCOC=CF;NEQLKXVNTZLING-UHFFFAOYSA-N;130.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213420;MM213420;C#CCCNCC=CC;LYSCSAZWUJLEPI-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213421;MM213421;C#CCCNCC=CF;NIICBJFOYRMOQU-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213422;MM213422;C#CCCNNC=NC;DGCMFUAPIXJDBQ-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213423;MM213423;CC(C)N(C)C=NC(N)=O;GQNGCOKISUAQHR-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213424;MM213424;C#CCCOCC=CC;JSYDHQAWZQCATF-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213425;MM213425;C#CCCOCC=CF;PVIRBGGAFAEVGI-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213426;MM213426;C#CCCOCC=NN;HIMVNMMBCUTCDG-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213427;MM213427;CCON=CN(O)CC#N;QMIJBSSKYKBAFN-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213428;MM213428;CC#CCCCCCC;LXKRETAGISZJAD-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213429;MM213429;CC#CCCCCCN;INTQJLPSUBHUNG-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213430;MM213430;OCCN=CN(O)C=CF;XHXYTKXLBAYFBU-UHFFFAOYSA-N;148.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213431;MM213431;CC#CCCCCCF;ZXBONBAYYSTZIF-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213432;MM213432;CC#CCCCCNC;UTKLRAQWFYJXOV-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213433;MM213433;CC#CCCCNCC;AEACTAHSRABVLO-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213434;MM213434;CC#CCCCOCC;PHCFLQHRTSTYAK-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213435;MM213435;CC#CCCNCCC;ZBZFFSUXJWMASJ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213436;MM213436;CC#CCCNCCN;RPRCQKKRSYZUCF-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213437;MM213437;CC#CCCNCCO;NGMXQZMMMIDYDK-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213438;MM213438;CC#CCCOCCC;CHUDAJLHZCMAQS-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213439;MM213439;CC#CCCOCCN;KNFIAFRCJNAEFO-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213440;MM213440;CC#CCCOCCO;LKHOWOJSCKCCET-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213441;MM213441;CC#CCCOCOC;RGJXNGZGCGSZQI-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213442;MM213442;CC#CCNCCCC;YIDPHGUGBHLNNM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213443;MM213443;CC#CCNCCCN;LPLKXKXSEFLNIL-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213444;MM213444;CC#CCNCCCO;KIBUGPIBSKAYRI-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213445;MM213445;CC#CCNCCCF;WIYWQFAZJIQRDS-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213446;MM213446;CC#CCNCCNC;KTPDSBRCTWKWFN-UHFFFAOYSA-N;126.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213447;MM213447;CC#CCOCCCC;MIFIHADBYIQXJW-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213448;MM213448;CC#CCOCCCN;XZGCPZRJYZIGRB-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213449;MM213449;CC#CCOCCCO;GZTIRPOLCRKYRG-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213450;MM213450;CC#CCOCCCF;ZKPOFBPVOMVVPR-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213451;MM213451;CC#CCOCCNC;ODTPQDMRXCERQK-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213452;MM213452;CC#CCOCCOC;ZSYMZCGCEVBBGH-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213453;MM213453;CC#CCOCOCC;YFTYBDUBGINKKS-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213454;MM213454;C=CCCCCC#CC;PETNXCVVAGUMAU-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213455;MM213455;CC#CCCCCC=O;DJHUNIFJWPQOHN-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213456;MM213456;CC#CCCCCC#N;OBTJNKFYRNQIQG-UHFFFAOYSA-N;121.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213457;MM213457;CC#CCCCNC=N;QSWJIQVGLWMCSJ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213458;MM213458;C=C(C)C(=C)C(CO)=NN;QUFLIZDLXKRFEI-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213459;MM213459;C=NNCCCC#CC;KXENWHNJRDRAIP-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213460;MM213460;C=COCCCC#CC;CUOWHCWGFOCCQV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213461;MM213461;CC#CCCCOC=O;ZKCSHARIYUXDLZ-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213462;MM213462;C=NOCCCC#CC;UBVKRFNYNYQAAT-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213463;MM213463;C=CCNCCC#CC;VMVHTTZTZYOPCG-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213464;MM213464;CC#CCCNCC#N;YVNPSAHWPYPVNI-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213465;MM213465;C=CCOCCC#CC;OFNGDFSYPGTGAJ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213466;MM213466;CC#CCCOCC=O;BSMQRSALKZECLN-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213467;MM213467;CC#CCCOCC#N;GWRXAIKLESUABB-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213468;MM213468;CC#CCCONC=N;ZQMYVMUDHQWBDQ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213469;MM213469;CC#CCCONC=O;SKAIGRYPBQLTQB-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213470;MM213470;C=CCCNCC#CC;ZVUFMYMOFXQOJS-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213471;MM213471;CC#CCNCCC=O;NBLHIKJALNCOKH-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213472;MM213472;C=CCCOCC#CC;LLLCOIJBVBGBAH-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213473;MM213473;CC#CCOCCC=O;WXEVZQPJXCBPST-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213474;MM213474;CC#CCOCCC#N;ZZLYWZPGBPNJRF-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213475;MM213475;C=COCOCC#CC;NWWXPKKXZCPRKU-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213476;MM213476;CC#CCOCOC=O;GIFQDHCMHOWYOH-UHFFFAOYSA-N;128.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213477;MM213477;C=NOCOCC#CC;APCGZQMAGKVEJS-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213478;MM213478;C#CCCCCC#CC;NSIYZWUMWHLAQO-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213479;MM213479;C#CCNCCC#CC;OPHOAIZQAJASCV-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213480;MM213480;C#CCOCCC#CC;WAUHXRQXLQSQMF-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213481;MM213481;C#CCCNCC#CC;TUZXLRNKEQITEA-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213482;MM213482;C#CCCOCC#CC;SXRQSXXGNNUDFM-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213483;MM213483;CC=CCCCC=CC;MAMCJGWPGQJKLS-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213484;MM213484;CC=CCCCC=CF;IQZCTIQLTFTUIV-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213485;MM213485;CC=CCCCC=NN;WDMLMDVZRRUXPV-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213486;MM213486;CCNC(=O)C(=N)N(C)O;NXUZKADFJPBPED-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213487;MM213487;NN=CCCCC=CF;MDUUCRFUZPKLEF-UHFFFAOYSA-N;130.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213488;MM213488;CC=CCCNC=NC;HYMHZBDWKATDPP-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213489;MM213489;CC=CCCN=CNN;UEZAMQWJYRUCFZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213490;MM213490;CN=CNCCC=CF;DMIISOGBPQHUPU-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213491;MM213491;C=C1C(CO)=NNC1(C)C;CSNALUFTYXNYKN-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213492;MM213492;CN=CNCCC=NN;DYPKCVZQNOOURS-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213493;MM213493;NN=CCCNC=NN;BWLDFLGAPRCTEA-UHFFFAOYSA-N;129.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213494;MM213494;CN=CNCCC=NO;YRZAIIAPUYHSRX-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213495;MM213495;NN=CNCCC=NO;OVXIYZUKIUCIIK-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213496;MM213496;CC=CCCOC=CC;VMVOQGYEYXCFNW-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213497;MM213497;CC=COCCC=CF;JBWGLRUAPCOULX-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213498;MM213498;CC=CCCOC=NO;RVHJXHVALPMGOM-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213499;MM213499;CC=COCCC=NN;BEAKVLIYMNDONQ-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213500;MM213500;CC=COCCC=NO;AVPVMMIQLGLCRZ-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213501;MM213501;ON=CCCOC=CF;MBSNZTYPXNTOOE-UHFFFAOYSA-N;133.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213502;MM213502;NN=CCCOC=NO;RWZLQZDEWHSCKE-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213503;MM213503;CC=CCCON=CC;ACSXSECIPOGYID-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213504;MM213504;CC=NOCCC=CF;BNBHYJPOXCKSGI-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213505;MM213505;CC=NOCCC=NN;ALTSECLCIWBVCM-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213506;MM213506;CC=COCOC=CC;DMSVQMKIKPHFGD-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213507;MM213507;CC=COCOC=CF;LIIIKJBUWOYZPP-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213508;MM213508;FC=COCOC=CF;GLCGHZCAJVZLOK-UHFFFAOYSA-N;136.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213509;MM213509;CC=COCON=CC;OGTUWBWZWLFBKZ-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213510;MM213510;CC=NOCOC=CF;JRJFOUXNIIFPOA-UHFFFAOYSA-N;133.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213511;MM213511;CC=CCNCC=CC;XCMUFRKAJRSTGP-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213512;MM213512;CC=CCNCC=CF;ZBYXWSDQQHJVQE-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213513;MM213513;COC(=O)CC(CO)=NN;QRJGVIGWISNUBX-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213514;MM213514;CC=CCOCC=NN;ZBMZMTXZLVZCEI-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213515;MM213515;NN=CCOCC=NN;ZJHFTXAOESJYOY-UHFFFAOYSA-N;130.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213516;MM213516;CC=CCONC=NC;GKONBQYEZFUNTO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213517;MM213517;CC=CCON=CNN;QHTDNZAVCSUXLX-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213518;MM213518;C=NOCC(=O)N(C)C=O;RXVDJOGRZYDSBX-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213519;MM213519;C=CC=NNCC(O)C=C;FWGGNGLQMADVBS-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213520;MM213520;C=NOC(CO)C(C)=NN;ZJHOYHNXZQYKEU-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213521;MM213521;CC#CCCCC=CC;FILYVDTVKRGIEU-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213522;MM213522;CC#CCCCC=CF;MPPQHBOEXWVHJJ-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213523;MM213523;CC#CCCCC=NN;GJVCZFAZBDEGDB-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213524;MM213524;CC#CCCCC=NO;UIYSKXKBRKCXRZ-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213525;MM213525;CC#CCCNC=NC;ZYRLOVNLUYAARP-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213526;MM213526;CC#CCCN=CNN;MCMJYGZSXVJZQR-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213527;MM213527;CC#CCCNN=CC;GBPDYNYNIKBLHV-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213528;MM213528;CC#CCCOC=CC;OTLHNJFLEFHSPU-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213529;MM213529;CNN=C(CO)C(C)C=O;GSVCUAYTYHYQEZ-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213530;MM213530;CC#CCCOC=NO;IIANKRWLTNSPEA-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213531;MM213531;CC#CCCON=CC;CISMLRQYHZAMAY-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213532;MM213532;CC#CCOCC=CF;GNZFSDXFRHOGCM-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213533;MM213533;CC#CCOCC=NN;AYLOVJFTMISLML-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213534;MM213534;CC#CCON=CNN;WJJSJCCPWDUWTK-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213535;MM213535;CCNN=C(CO)CCO;KFYKBKURCPLTFG-UHFFFAOYSA-N;146.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213536;MM213536;CC#CCCCC#CC;LTKSZLAHHLPXQC-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213537;MM213537;CC#CCOCC#CC;GFMFJRQZRXAVKB-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213538;MM213538;CCC=CCCCCC;YCBSHDKATAPNIA-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213539;MM213539;CCCCCC=CCN;BQHDZWJTDVDOOP-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213540;MM213540;CCCCCC=CCO;AYQPVPFZWIQERS-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213541;MM213541;CCCCCC=CCF;IHJITRFKEFESAE-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213542;MM213542;CCC=CCCCCN;MSIBHARACSILSI-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213543;MM213543;NCC=CCCCCN;HAVCRKHDUOIAFQ-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213544;MM213544;NCCCCC=CCO;HXWSBBIISGCSMS-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213545;MM213545;NCCCCC=CCF;YCKCMPKEPQGWIU-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213546;MM213546;NCC=CCCCCO;PPOOMEQZUANMJB-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213547;MM213547;OCC=CCCCCO;XTOMPNQYJOGYGA-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213548;MM213548;Cc1c(F)cc(CO)n1N;FDHGEAKPZQLBIW-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213549;MM213549;OCC=CCCCCF;FYFSTIFTTXJWRU-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213550;MM213550;CCC=CCCCNC;LWHLAWMFAGRYLF-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213551;MM213551;CNCCCC=CCN;HMYXTKSCZDXOAD-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213552;MM213552;CNCCCC=CCO;ISYBNYDOSKNBQZ-UHFFFAOYSA-N;129.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213553;MM213553;CNCCCC=COC;QONQESWKGXXDFN-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213554;MM213554;CCC=CCCCOC;FMYUPKJTQIISTF-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213555;MM213555;CCCCCC=NNC;PQQQRBHWFQKZDS-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213556;MM213556;CCCCCC=NOC;FWUGUECQTYROQK-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213557;MM213557;CON=CCCCCN;OADFKWKVSZQBDI-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213558;MM213558;CON=CCCCCF;ZCGWZNBTSYLJLY-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213559;MM213559;CNN=CCCCOC;LIAIXMMUGQYSOG-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213560;MM213560;COCCCC=NOC;DVKUCVITGSWDDS-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213561;MM213561;CCC=CCCNCC;DMVTXPSTNGBDAO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213562;MM213562;CCNCCC=CCN;QSZLBXJRTMTAKH-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213563;MM213563;CCNCCC=COC;LXTRAVQWJWLCOA-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213564;MM213564;CCOCCC=CCN;BXECPZAVHNMOPC-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213565;MM213565;CCOCCC=CCO;QXBQGMMYSOWDBF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213566;MM213566;CCOCCC=CCF;PCNHMMUCWBTCDG-UHFFFAOYSA-N;132.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213567;MM213567;CCOCCC=COC;YYMHLXJOFYYERG-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213568;MM213568;CCOCCC=NNC;VOXGZFVIHZQEJS-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213569;MM213569;CCOCCC=NOC;KQRPGVZNMYVWBU-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213570;MM213570;CCC=CCNCCC;ZCXKEPQEAYCWBI-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213571;MM213571;CCCNCC=CCN;CVFHKCAAFFOCPM-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213572;MM213572;CCCNCC=CCF;FDVLCZWQDCKLPQ-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213573;MM213573;CCC=CCNCCN;GBAREEPHRDQUSZ-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213574;MM213574;NCC=CCNCCN;WOCCINCPXYBCCN-UHFFFAOYSA-N;129.21;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213575;MM213575;CCCNCC=COC;JETWQYDAXGFSJZ-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213576;MM213576;COC=CCNCCO;CBJWJEFURZTMHM-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213577;MM213577;CNN=CCNCCN;WTDXBFWLNHSHBJ-UHFFFAOYSA-N;130.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213578;MM213578;CON=CCNCCN;PAVMCUODAUCRJH-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213579;MM213579;CCC=CCOCCC;WSNMDTWKABSKPW-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213580;MM213580;CCCOCC=CCO;BGZPFNXWLYNOSF-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213581;MM213581;CCC=CCOCCN;XZHXUDLIVHQAQX-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213582;MM213582;NCCOCC=CCO;IXTSPRIOXIGZRP-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213583;MM213583;NCCOCC=CCF;QTUWOTVTUDGQQL-UHFFFAOYSA-N;133.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213584;MM213584;CCCOCC=COC;WUCOLJOQRTVMIU-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213585;MM213585;COC=CCOCCF;WKAJUKRUXSPEBD-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213586;MM213586;CCC=CCOCOC;OPJGVLQEKLQMSS-UHFFFAOYSA-N;130.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213587;MM213587;CON=CCOCCN;OIYPQHPHFKETJP-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213588;MM213588;CNN=CCOCOC;SHDNAYRFTFZNST-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213589;MM213589;CCCCN=CNCC;SSABVEJIJAGZJT-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213590;MM213590;CCN=CNCCCF;JJKGZAZADZZDDV-UHFFFAOYSA-N;132.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213591;MM213591;CNN=CNCCCN;VAESLAXXMYRNQX-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213592;MM213592;CNN=CNCCCO;KVCFIOMSEVSKQK-UHFFFAOYSA-N;131.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213593;MM213593;CON=CNCCCN;YPZRZBNTMOGYFN-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213594;MM213594;CCN=CNCCNC;KTVXHQAYDOKTJS-UHFFFAOYSA-N;129.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213595;MM213595;CNCCN=CNNC;UDNMUBBFIIKBFZ-UHFFFAOYSA-N;130.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213596;MM213596;CNCCN=CNOC;MBFRNYRVNRYALI-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213597;MM213597;CCN=CNCCOC;RZCCYLLNISVOIB-UHFFFAOYSA-N;130.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213598;MM213598;NCCCNN=CCO;ITXWCGMMWFAIIK-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213599;MM213599;NCCCNN=CCF;TUELALRPYKLMKJ-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213600;MM213600;CC1=NC(CO)=C(C)C1=O;BJAXKOGFFBYVPX-UHFFFAOYSA-N;139.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213601;MM213601;N#CC#Cc1cnc(N)o1;MLUKELYYDDHKDR-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213602;MM213602;CNCCNN=CCN;KBJZWMVAQHNDRR-UHFFFAOYSA-N;130.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213603;MM213603;CNCCNN=CCF;BPULFKPAPIUZNH-UHFFFAOYSA-N;133.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213604;MM213604;CNCCNN=COC;QHUZKDSUXHTBNO-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213605;MM213605;C=CC(CO)ON=CNO;PGHFQGGXOXFXOC-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213606;MM213606;CCN=CNNCCF;SXFHJZNOQDLBOH-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213607;MM213607;CNN=CNNCCN;SWYKEZIGWFHXEZ-UHFFFAOYSA-N;131.18;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213608;MM213608;CCCON=CNNC;AXCAVUKVOVQLOD-UHFFFAOYSA-N;131.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213609;MM213609;CCC#CCC(CO)=NN;BVFYSBLFRLJQQP-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213610;MM213610;NN=C(CO)CC#CCF;UXQRLDMEKJQPCT-UHFFFAOYSA-N;144.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213611;MM213611;C=CC#CCC(CO)=NN;BCHWXEVSZOOUDR-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213612;MM213612;NCC=COCCCN;VKGYTIWJINIWLR-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213613;MM213613;NCCCOC=CCO;VOEKVEJSAZEPTA-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213614;MM213614;NCCCOC=CCF;HOVHDOMBDBDWOQ-UHFFFAOYSA-N;133.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213615;MM213615;NCC=COCCCO;IUHODCOQDMTZBL-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213616;MM213616;OCC=COCCCO;SOYHTRMQZZIAHY-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213617;MM213617;COC=COCCCN;AKUHXNXTEQXNMD-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213618;MM213618;COC=COCCCF;FVAVUOJSZXFTOQ-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213619;MM213619;CNCCOC=CCO;WKYSNBLPNMDRSP-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213620;MM213620;CNCCOC=CCF;OIAIFIVHUHNQHS-UHFFFAOYSA-N;133.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213621;MM213621;COCCOC=CCF;HQCXOGLXRLRWIW-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213622;MM213622;CNN=COCCCN;WRXYPBJDFVRBQV-UHFFFAOYSA-N;131.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213623;MM213623;C#CC#CCC(CO)=NN;XRJNYEALIUMGJG-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213624;MM213624;CON=COCCCN;QZMAMBKNLHSPKB-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213625;MM213625;CNCCOC=NNC;MCGXBBSJRSCFIC-UHFFFAOYSA-N;131.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213626;MM213626;CNCCOC=NOC;RGSMCCYVIDAISB-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213627;MM213627;N#CCCN=C(NO)NO;YXIZQVFTUGKTKQ-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213628;MM213628;CCOCOC=CCN;XMXZZGQPHYEDFQ-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213629;MM213629;CCOCOC=CCF;UAAGZNWRAXXTMP-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213630;MM213630;CCC=NOCCCC;MSMJPOTZSBJKLJ-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213631;MM213631;CCC=NOCCCN;GKTNXHOTQWQPLZ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213632;MM213632;NCC=NOCCCN;DFZNLJKZICYEPF-UHFFFAOYSA-N;131.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213633;MM213633;NCCCON=CCO;BZWOVVDRRSWHIW-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213634;MM213634;NCC=NOCCCO;OBTFZXIZXPZWFM-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213635;MM213635;CC(CCO)C(CO)=NN;FHQCXOZXTXAVPV-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213636;MM213636;CCC=NOCCCF;NIWBOWRHBGKBHN-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213637;MM213637;C=C(CCO)C(CO)=NN;HOMLMEPMUQOVQX-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213638;MM213638;COC=NOCCCN;LPJVABHKGHVAKO-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213639;MM213639;CNCCON=CCN;IQIUCKLFDWLBRH-UHFFFAOYSA-N;131.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213640;MM213640;CNCCON=CCO;RAHJGANVOXHBIS-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213641;MM213641;CNCCON=COC;JGVHHLLNMCKCQG-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213642;MM213642;COCCON=CCN;YUTYSTXEBLOHJK-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213643;MM213643;Nn1cnc(CO)cc1=O;NCYSJKXTEGOHGZ-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213644;MM213644;N=CNc1cc(CO)co1;LAUBNYHMKLEAOD-UHFFFAOYSA-N;140.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213645;MM213645;C=CC=CCCCCC;CLNYHERYALISIR-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213646;MM213646;CCCCCC=CC=O;LVBXEMGDVWVTGY-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213647;MM213647;CCCCCC=CC#N;QWBRZUSTAZMOEF-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213648;MM213648;C=CC=CCCCCN;ONNFIWPZHURHJC-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213649;MM213649;C#CC1NN=C(CO)C1=C;YBZJQXZHLFNSDP-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213650;MM213650;OCC12CC1C(NO)=NN2;ZJJLZDYUOOUQSL-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213651;MM213651;C=CC=CCCCCF;OZZHOTIIQFWSKJ-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213652;MM213652;O=CC=CCCCCF;JOFXBXYCACEDTH-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213653;MM213653;N#CC=CCCCCF;HSUZJFTYVPFOJD-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213654;MM213654;C=CC=CCCCNC;STWRALIDDIUVIN-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213655;MM213655;CNCCCC=CC=O;NVFQWCZLNSWWCH-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213656;MM213656;CNCCCC=CC#N;SHVQCXAMFQCQEF-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213657;MM213657;C=CC=CCCCOC;WCPSCRBAEADEHY-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213658;MM213658;COCCCC=CC=O;MBCYCYRPSDWYPY-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213659;MM213659;C=NN=CCCCCC;XMKLKLOOFLLPLA-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213660;MM213660;C=NN=CCCCCN;CUXRBAPPIHJIOG-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213661;MM213661;O=C1C=NC(CO)=C1;XPCRWQGQLUUGKO-UHFFFAOYSA-N;111.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213662;MM213662;C=NN=CCCCNC;VTMMZAYADRNYKJ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213663;MM213663;C=NN=CCCCOC;MWVRYWZBGZUQEB-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213664;MM213664;C=CC=CCCNCC;UKUDNCGBOBHADR-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213665;MM213665;CCNCCC=CC=O;BKOOGHBSNQTSLO-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213666;MM213666;CCNCCC=CC#N;PJGIPHPWOSZWQD-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213667;MM213667;C=NN=CCCNCC;FIFDTDSUUYRHDP-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213668;MM213668;C=CC=CCCOCC;KZUILANZHVXDDP-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213669;MM213669;CCOCCC=CC=O;OFDWHCHZRXEXJD-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213670;MM213670;CCOCCC=CC#N;YRGIUYKGFSRZDM-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213671;MM213671;C=NN=CCCOCC;DNKVVOGXUYDTOX-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213672;MM213672;C=CC=CCNCCC;CYBWDQIMAUTPKM-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213673;MM213673;CCCNCC=CC=O;WBNKQGVTVCSGJN-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213674;MM213674;CCCNCC=CC#N;DEYZUYWHMYKAHR-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213675;MM213675;O=CC=CCNCCO;PUIGROCJSUUYPZ-UHFFFAOYSA-N;129.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213676;MM213676;C=CC=CCOCCC;FSSCJVGUFSWANP-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213677;MM213677;C=CC=CCOCCN;TXCCMLITXXWFEV-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213678;MM213678;C=CC=CCOCCO;WAVPVDPBHBRWJN-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213679;MM213679;O=CC=CCOCCF;KIOBWIRLNUZLNG-UHFFFAOYSA-N;132.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213680;MM213680;C=CC=CCOCOC;ASAVWZLDHZMTEL-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213681;MM213681;COCOCC=CC#N;ZAEBHBZJDWUUFB-UHFFFAOYSA-N;127.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213682;MM213682;C=NN=CCOCCC;HNTSVBBDXIOZDG-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213683;MM213683;C=NN=CCOCOC;ODYSYAPQAWOTTL-UHFFFAOYSA-N;130.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213684;MM213684;CCCCNC=CC=O;WMCHYLLWOJBTQY-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213685;MM213685;CCCCNC=CC#N;MJFKQPSOLTUTKJ-UHFFFAOYSA-N;124.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213686;MM213686;COCCNC=CC=O;CEUAEIKXXJHMRN-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213687;MM213687;CCCCN=CNC=N;JNLHDKDXCYMMPT-UHFFFAOYSA-N;127.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213688;MM213688;N#CC1CN(O)C(=N)N1;LSFMKQKSEVCJNR-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213689;MM213689;NCCCN=CNC=O;NZEQFQLXNHUATM-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213690;MM213690;CC1=NC(CO)=CC1=O;TVJXDJBJUAMMTG-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213691;MM213691;CNCCN=CNC=O;MNLXZYSHGQIXQC-UHFFFAOYSA-N;129.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213692;MM213692;C=NNC=NCCNC;JIXJYMUNBSFEHB-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213693;MM213693;C=NN=C1C=C(N)CN1;LTUBLEVZQFPVCN-UHFFFAOYSA-N;124.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213694;MM213694;CCCCNN=CC#N;ALZUDVZTZMAHEA-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213695;MM213695;C=CC=NNCCCN;ZRMJNSMRCGVGHG-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213696;MM213696;CC1CN(C)N=C1CO;QPAIARCQXPCGEQ-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213697;MM213697;N#CC=NNCCCO;BCNKAJFPTIXMPA-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213698;MM213698;O=CNC=NNCCO;VGJVABMSVXKCEI-UHFFFAOYSA-N;131.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213699;MM213699;O=CNC=NOCCF;MOBJDDRXJHZJRR-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213700;MM213700;CC1NN=C(CO)C1C;ZNYNXSFPTIAPGJ-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213701;MM213701;NN=C(CO)CCCO;VNDCHRLQYYQATH-UHFFFAOYSA-N;132.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213702;MM213702;C=CC=COCCCC;LNCAXBFHXSEWJT-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213703;MM213703;C=CC=COCCCN;GMSDWDLCOJHSRR-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213704;MM213704;C=CC=COCCCO;PAPLLWCAGAJSQG-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213705;MM213705;C=CC=COCCCF;LVHPWBLRPMSTTL-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213706;MM213706;O=CC=COCCCF;DMOVEWCNEHRXQO-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213707;MM213707;N#CC=COCCCF;XXVPLILTMPVOEK-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213708;MM213708;C=CC=COCCNC;IOALXBPRAAYYKR-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213709;MM213709;CNCCOC=CC=O;MYIUHDFKGUUBFP-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213710;MM213710;CNCCOC=CC#N;XULGRERRTJONRW-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213711;MM213711;C=CC=COCCOC;VGXYTUGRMPODQS-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213712;MM213712;COCCOC=CC=O;GEEIMINYITVOPO-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213713;MM213713;C=NN=COCCCF;NIVQQCCDQDCUBM-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213714;MM213714;C=NN=COCCNC;JTWSPVUBPOSIDD-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213715;MM213715;C=CC=COCOCC;FGLBLPWRTHFAJA-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213716;MM213716;CCOCOC=CC#N;KOWFLRAOFSGISR-UHFFFAOYSA-N;127.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213717;MM213717;C=NN=COCOCC;PKTIMRRAOCXJCM-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213718;MM213718;C=CC=NOCCCC;DEJBVBKPQNXVLH-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213719;MM213719;N#CC=NOCCCO;GKSWXQTVHBPYBL-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213720;MM213720;C=CC=NOCCCF;JPCKALRUZRDZQB-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213721;MM213721;CNCCON=CC=O;NQZRDQCSXFNZRX-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213722;MM213722;CNCCON=CC#N;TYQSFBVUINDCHQ-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213723;MM213723;C=CC=NOCCOC;RXUOSCLQHNCFLJ-UHFFFAOYSA-N;129.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213724;MM213724;C=CC=NOCOCC;UETDCHOQQYNBBP-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213725;MM213725;C#CC=CCCCCC;MDHBUOMRTGHQPI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213726;MM213726;C#CC=CCCCCN;BNLWQLIQZYZQKB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213727;MM213727;NN=CCC(CO)=NN;MZRNNOOGUAKYPN-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213728;MM213728;C#CC=CCCCCF;BFSBPKPNIYBMJO-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213729;MM213729;C#CC=CCCCNC;ZUSJAJYIVDGNDE-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213730;MM213730;C#CC=CCCCOC;SCGWCQFMSFHIJO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213731;MM213731;C#CC=CCCNCC;KXYKPRWYKUAALY-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213732;MM213732;C#CC=CCCOCC;PVTWMYBXHWSWHR-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213733;MM213733;C#CC=CCNCCN;TWNVHYBBWNRAIJ-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213734;MM213734;C#CC=CCOCCC;TWQPMZOYBRYRMQ-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213735;MM213735;C#CC=CCOCCN;XDZKSLNXFWTXTE-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213736;MM213736;C#CC=CCOCCO;UDHRXEDGXPBQDJ-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213737;MM213737;C#CC=CCOCCF;UMWKBJZGMZDSGX-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213738;MM213738;C#CC=CCOCOC;HZASCRIMMYNKBI-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213739;MM213739;C#CC=COCCCC;FMSGJPWEFWNZHI-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213740;MM213740;C#CC=COCCCN;IDOFOYAWEUUZBU-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213741;MM213741;C#CC=COCCCF;OEXDGLXCGZEZRO-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213742;MM213742;C#CC=COCCNC;XNNUMEJQQNVTMY-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213743;MM213743;C#CC=COCCOC;REPXUWPKVRPGHI-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213744;MM213744;C#CC=COCOCC;WZLLYFUKPPYFIT-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213745;MM213745;C#CC=NOCCCC;BZMMUSCLTRUHOW-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213746;MM213746;C#CC=NOCCOC;IFGYJFAOYNMJGC-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213747;MM213747;C=CCCCC=CCC;IGYDQECKHCJCRP-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213748;MM213748;C=CCCCC=CCO;YHYGSIBXYYKYFB-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213749;MM213749;CCC=CCCCC=O;ZUSUVEKHEZURSD-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213750;MM213750;O=CCCCC=CCO;PNALBSQZPQZODF-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213751;MM213751;N#CCCCC=CCO;YLROGYYIVGRGQF-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213752;MM213752;N#CCCCC=CCF;PWVNXACOHVAQFV-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213753;MM213753;COC=CCCCC#N;RGJMQQCEYDCZIS-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213754;MM213754;COC=CC(CO)=NN;RBCFEJDFECQHKU-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213755;MM213755;C=CCCCC=NOC;UCEMWYOFZJYRBE-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213756;MM213756;N=CN1CCC(CO)=N1;PGAJJPRLTSAOHC-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213757;MM213757;CCC=CCCNC=N;RTJFTVNPDZSGQK-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213758;MM213758;N=CNCCC=CCO;RTFHBRIKVWSVEF-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213759;MM213759;O=CN1CCC(CO)=N1;OIQPJFDHYGFQAW-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213760;MM213760;N#CC12CC1C(O)CN2;KJRGYFPQQRUKAS-UHFFFAOYSA-N;124.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213761;MM213761;C=NNCCC=CCF;RKZZULRIVMCWLS-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213762;MM213762;C=NNCCC=COC;VJWBPBXVNBVFGE-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213763;MM213763;C=COCCC=CCC;BOCYKQIHVANVHB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213764;MM213764;C=COCCC=CCN;RFARKPYCCKMPDC-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213765;MM213765;O=COCCC=CCF;SLJQSZQEQNPJMW-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213766;MM213766;C=NOCCC=CCC;JBWBLBQSOVOOBD-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213767;MM213767;C=NOCCC=COC;UKMSXHIACXKESB-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213768;MM213768;C=COCCC=NNC;UMJVSZDJCIQQDY-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213769;MM213769;C=COCCC=NOC;AMVBIJGZAYFTQB-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213770;MM213770;C=CCNCC=CCC;WEDPVWCYUCCGFL-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213771;MM213771;CCC=CCNCC#N;DJIPXUWYANTPKV-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213772;MM213772;CCCN(C)C=NC(N)=O;XTCLDQIEOQIKDT-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213773;MM213773;N=CNNCC=CCN;FTKZITQMGPODKK-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213774;MM213774;NC(=O)C#CCN(N)C=O;MDRBKBBIXHAERX-UHFFFAOYSA-N;141.13;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213775;MM213775;C=CC1(O)CC(NN=C)C1;WYPSJCAFCFBWKU-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213776;MM213776;CON=CCNNC=N;XZGGVSTUJQTMSH-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213777;MM213777;CON=CCC(O)CC#N;GHIDHARJFQHJJD-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213778;MM213778;C=CCOCC=CCC;ZFBVLCCFTODZPM-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213779;MM213779;C=CCOCC=CCN;JGXRQDRDCZRREH-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213780;MM213780;CCC=CCOCC=O;PKBIPKYKYQYCNW-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213781;MM213781;CCC=CCOCC#N;GBVFNUZOSCTXTN-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213782;MM213782;C=CCOCC=COC;FGGWHRONLNCDIG-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213783;MM213783;COC=CCOCC=O;WWOPFPRTJIMINO-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213784;MM213784;C=CCOCC=NOC;XRXBGXXNWLCPLB-UHFFFAOYSA-N;129.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213785;MM213785;C=CCC(O)C(C)NN=C;DQTIHQSJBGMXOC-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213786;MM213786;CCC=CCONC=N;KQMTTYLQZNCEHE-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213787;MM213787;N=CNOCC=CCN;BTOJJNCBVYOMHH-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213788;MM213788;CCC=CCONC=O;SPPWXEPPABBONW-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213789;MM213789;COC=CCONC=O;CQCYEHSAHJZRLX-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213790;MM213790;CNN=CCONC=N;NMNUBLRPMIOBKF-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213791;MM213791;CNN=CCONC=O;OWBWAYXUISZOIV-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213792;MM213792;CON=CCONC=O;MJUTYCMAROCGAH-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213793;MM213793;CCN=CNCCC#N;ZNBZOMZGSOVWGH-UHFFFAOYSA-N;125.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213794;MM213794;C=NOC(=NCC)N(C)O;KDRADLOTLYRCIW-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213795;MM213795;CCN=CNNCC#N;CCJBAIPIXVKTDN-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213796;MM213796;C=NNC(C=O)(CO)CF;BOXQNYGLXNMIFL-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213797;MM213797;CC1(F)CC1C(CO)=NN;YEPMQNIBOHOUPQ-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213798;MM213798;CC1(CO)CC(NO)=NN1;XMCVHJXUOZPFJB-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213799;MM213799;C#CC(CO)N=C(N)C=O;GGMDUGXLHRWLKI-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213800;MM213800;C=CCCOC=CCN;NNZKOFSJDIDNOZ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213801;MM213801;CCC=COCCC=O;CFWORLZQCWOWHC-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213802;MM213802;O=CCCOC=CCF;DTTPXXWLJRWTEA-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213803;MM213803;N#CCCOC=CCF;MDUITBDGVBCUMU-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213804;MM213804;C=CC(=C)CC(CO)=NN;WXZLFABSQOOUNZ-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213805;MM213805;C=CCCOC=NOC;IWQPHDAKQOIYRL-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213806;MM213806;C=COCOC=CCF;HWHCNXLXGKJLOW-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213807;MM213807;CCC=COCOC=O;UCBGEONYPITOBM-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213808;MM213808;O=COCOC=CCO;RDMNPEWEMHJMCS-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213809;MM213809;C=CCCON=CCC;BVIBHGZUOMXRCL-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213810;MM213810;C#CC(C)=CC(CO)=NN;RFVLAWDWTMNDJW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213811;MM213811;C#CC(=NCC(C)O)NO;QYUJHTHCZJTGRD-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213812;MM213812;CC(F)=CCC(CO)=NN;IFWOHKBQBFZYQW-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213813;MM213813;COC=NOCC(=O)C#N;IKQQOMYQMVQSGP-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213814;MM213814;C=COCON=CCC;XNASHQHWIXKZTA-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213815;MM213815;CNN=C(CO)CCCO;PNSTUWKQHIAQTC-UHFFFAOYSA-N;146.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213816;MM213816;CNN=C(CO)CC=NN;XPNYLDJHLYZPNM-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213817;MM213817;C=NOCON=CCN;OCNJWNNQABVNGM-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213818;MM213818;CNN=C(C=CC=O)CO;LNDWKIPBRXMBAU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213819;MM213819;C=CC=CCCCC=C;TWLCETSJJWKYRH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213820;MM213820;C=CCCCC=CC=O;KNECBQPKWOLHOS-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213821;MM213821;C=CCCCC=CC#N;YMGXCWPUDLRMJZ-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213822;MM213822;C=CC=CCCCC=O;DAGXMELQLQNAGN-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213823;MM213823;C=CC=CCCCC#N;BVOWBNISLVCXSP-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213824;MM213824;O=CC=CCCCC=O;UINBCLLBJYJCNK-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213825;MM213825;N#CCCCC=CC=O;UTCVGZJJRDHBOT-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213826;MM213826;N#CC=CCCCC=O;UPPYTUCRLHZLQO-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213827;MM213827;N#CC=CCCCC#N;QDPGTKWYKDTTTB-UHFFFAOYSA-N;120.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213828;MM213828;C=CCCCC=NN=C;WNKVYEHYTMJXLE-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213829;MM213829;C=NN=CCCCC#N;SMOQCVOJPFDQFV-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213830;MM213830;C=CC=CCCNC=N;MYRZYBLWDCCSIW-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213831;MM213831;N=CNCCC=CC=O;LBDDGLABEKXHIH-UHFFFAOYSA-N;126.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213832;MM213832;CNC(=O)N(NC)C(N)=O;LQPOMTWVQFGKOX-UHFFFAOYSA-N;146.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213833;MM213833;C=CC=CCCNN=C;CYLXGRDZNNXHMW-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213834;MM213834;C=NNCCC=CC#N;FTMMCJDJOVNUNN-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213835;MM213835;C=NN=CCCNN=C;GKGLQEPOYFIKBJ-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213836;MM213836;C=CC=CCCOC=C;GVRLZXTVLBOCDX-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213837;MM213837;C=COCCC=CC#N;SZPQOLWBWRXYOG-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213838;MM213838;C=CC=CCCON=C;NMMDBPLJQQUWHB-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213839;MM213839;C=NOCCC=CC=O;ATUXSYQJWRUZLH-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213840;MM213840;C=NOCCC=CC#N;XZYRMQICHYZPCX-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213841;MM213841;C=COCCC=NN=C;OLTDYCHHJQUYIR-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213842;MM213842;C=NN=CCCOC=O;WURNKOFEZQJLHR-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213843;MM213843;C=NN=CCCON=C;RFGVCWUFHPRXQA-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213844;MM213844;C=CC=CCNCC=C;QBFTWCBTSPNUNU-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213845;MM213845;C=CCNCC=CC=O;XYEWHILIBNPNHE-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213846;MM213846;N#CCNCC=CC=O;XFVJBTMKCPZYQM-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213847;MM213847;N#CC=CCNCC#N;IPOVXGPXSPUEAZ-UHFFFAOYSA-N;121.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213848;MM213848;N=CNNCC=CC=O;ZPMUGEQQIFAFLH-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213849;MM213849;C=NN=CCNNC=N;ONEADCFVJHUGBN-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213850;MM213850;C=NN=CCNNC=O;YCWTTZJORDLDKL-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213851;MM213851;C=CC=CCOCC=C;OIOJJGTXJJUBCJ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213852;MM213852;C=CCOCC=CC=O;KHHKPSWAOIMHHR-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213853;MM213853;C=CCOCC=CC#N;AUCFVKQZBSDPIQ-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213854;MM213854;C=CC=CCOCC=O;FMPVWFWGANCIEQ-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213855;MM213855;N#CCOCC=CC=O;RCMZHSUBUILIDQ-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213856;MM213856;N#CC=CCOCC=O;NEEXDNMQPXXDRE-UHFFFAOYSA-N;125.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213857;MM213857;NC=C(F)C(=NN)C(N)=O;JWUXEMZLEAWDPS-UHFFFAOYSA-N;146.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213858;MM213858;C=CC=CCONC=N;XVSDTZGMXYYWQW-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213859;MM213859;C=NN=CCONC=O;SELRXMOGHDWOLM-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213860;MM213860;C=CCCNC=CC=O;DISONCKHEZVTBP-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213861;MM213861;C#CC(NCCF)C(C)=O;OTYJRHGSJFJEIF-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213862;MM213862;N=CN=CNCCC=O;SUFCKEAKKDTWQW-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213863;MM213863;NN=C(N=CNO)C(N)=O;OKMGXIZTEJOYPU-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213864;MM213864;N#CCCN=CNC=O;REDKUTIZKNFKJJ-UHFFFAOYSA-N;125.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213865;MM213865;COC(=NN)C(CO)OC;GMNVGFHRYPMKJZ-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213866;MM213866;C=CC=NNCCC=C;HZFLQNOUGZEOTD-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213867;MM213867;C=CCCNN=CC#N;OYYSBJNBAHUYFS-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213868;MM213868;O=CCNN=CNC=O;GWBXMGKSNITKSS-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213869;MM213869;OCC=NNC(CO)CO;YRGPBIONFTXVFE-UHFFFAOYSA-N;148.16;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213870;MM213870;C#CC(CO)N=CNN=C;LZTOURMELVOMPU-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213871;MM213871;C=CCON=CNC=O;HZWMFHMTCUFWHJ-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213872;MM213872;NN=C(CO)CCNC=O;LHKXWQVRLDIUEE-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213873;MM213873;N#CCON=CNC=O;MWVOCNHVSNLUFI-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213874;MM213874;NN=C(CO)CC=CCO;DYVVCTBXBQIDBN-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213875;MM213875;C=CC=CCC(CO)=NN;LMIZLARNWKHNNA-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213876;MM213876;C#CC=CCC(CO)=NN;VEPIXYLDZCBEFE-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213877;MM213877;C=CC=COCCC=C;ZHORBCGFNYOTOV-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213878;MM213878;C=CCCOC=CC#N;CWNNQNWOEGYTJO-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213879;MM213879;C=CC=COCCC#N;UZBAIWTZUJOPDT-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213880;MM213880;O=CC=COCCC=O;PDYOSZSBUICUEW-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213881;MM213881;C=NN=COCCC=O;QWDGSRUETDIGFR-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213882;MM213882;C=CC=COCOC=C;SITOUNPWKSWGBS-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213883;MM213883;C=COCOC=CC=O;VPGOJRQHJXPUFU-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213884;MM213884;N#CC=COCOC=O;RFHZMAIVKLBCHM-UHFFFAOYSA-N;127.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213885;MM213885;C=CC=COCON=C;QOZLOLQYRFMVMF-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213886;MM213886;C=CC=NOCCC=C;RCRSUTRCDPWOMJ-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213887;MM213887;C=CCCON=CC=O;IVIRJBVZYIZHQH-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213888;MM213888;CCOC=CC(CO)=NN;QMXFXBHGEKETJU-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213889;MM213889;C=CC=NOCOC=C;PRDPVJDJHHMCSN-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213890;MM213890;C=COCON=CC=O;IFYOJJGDUWMMGR-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213891;MM213891;O=CC=NOCOC=O;ICVMVUPFVPMLEQ-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213892;MM213892;C=NOCON=CC=O;NHIACSYMBDARLD-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213893;MM213893;C=NOCON=CC#N;SWGRROIGQGZKMP-UHFFFAOYSA-N;127.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213894;MM213894;C#CC=CCCCC=C;AYDWPXKZQCVBIP-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213895;MM213895;C#CC=CCCCC=O;SSRYFJNRFYZYHN-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213896;MM213896;C#CC=CCCCC#N;ADZOSJDRDRYBOG-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213897;MM213897;C=COC=CC(CO)=NN;UNGGUSMYKDNMHT-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213898;MM213898;C#CC=CCCNN=C;SFVFBEOZFQGJFH-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213899;MM213899;C#CC=CCCOC=C;UKOUFXWJWXKRLE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213900;MM213900;C#CC=CCCOC=O;KDCTWTWAFIVGGR-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213901;MM213901;C#CC=CCCON=C;PGUVJQYCJWWXAB-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213902;MM213902;C#CC=CCNCC=C;ZSJAODSZVQMELW-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213903;MM213903;C#CC=CCNNC=N;CYHUQRBCUIPPFR-UHFFFAOYSA-N;123.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213904;MM213904;C#CC=CCOCC=C;RRAOYYJDVYFHTE-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213905;MM213905;C#CC=CCOCC#N;LSCMSCRBAASQPH-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213906;MM213906;C#CC=CCONC=N;UBMIQRUTLOCHCS-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213907;MM213907;C#CC=COCCC=C;MTOQGXXHBBDPMZ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213908;MM213908;C#CC=COCCC=O;VVYIOPLLLLVVLB-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213909;MM213909;C#CC=COCCC#N;MNUABYPAZPWDCO-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213910;MM213910;C#CC=COCOC=C;KBBIYTYNCOQLAN-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213911;MM213911;C#CC=COCOC=O;BMASQEHYVINZFJ-UHFFFAOYSA-N;126.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213912;MM213912;C#CCCCC=CCC;BMZCNZMCVJTLGU-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213913;MM213913;C#CCCCC=CCN;MFUOKJLUSBWTLX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213914;MM213914;C#CCCCC=CCO;DAPWNXCYOIPFSF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213915;MM213915;C#CCCCC=CCF;VGEXDOZZKQBFKW-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213916;MM213916;C#CCCCC=COC;FDPBMFJFBDOHCR-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213917;MM213917;C#CCCCC=NNC;LNZVJYSQUPRFGV-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213918;MM213918;C#CCCCC=NOC;MWQFTJMYDZJWGL-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213919;MM213919;C#CCNCC=CCC;XAGPMVMPTDANOI-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213920;MM213920;C#CCOCC=CCC;WGIIWSBCIVMXBX-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213921;MM213921;C#CCOCC=CCF;GWYLLODGLLLSSG-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213922;MM213922;C#CCOCC=COC;LVOJPWRHXSKTHW-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213923;MM213923;C#CCCNC=NNC;KGOHADHXHBVNDD-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213924;MM213924;COC(=NNCCO)NO;VZPSNFSBJRDXBV-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213925;MM213925;C#CCNNC=NCC;XUTMYJZWDXJTOE-UHFFFAOYSA-N;125.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213926;MM213926;CONC(=N)N(C=O)C=O;AVUMNOYKWBMJTR-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213927;MM213927;C#CCCOC=CCC;JHLOFDXQIKCABZ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213928;MM213928;C#CCCOC=CCN;WQTNWYSHQMXFQE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213929;MM213929;C#CCCOC=CCO;IXUSYMAWESPBPM-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213930;MM213930;C#CCCOC=CCF;KQRAGECLTWIPSV-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213931;MM213931;C#CCCOC=COC;KHFACXJTIQVAOO-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213932;MM213932;C#CCCOC=NOC;BPSACEFQCRXSKY-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213933;MM213933;C#CCCON=CCC;XMOGKMYDTYOLHU-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213934;MM213934;C#CCCON=CCN;FHLWTILFAKJUSS-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213935;MM213935;C#CCCON=COC;LUSIWWHGLYRPSD-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213936;MM213936;C#CCCCC=CC=C;WBJGMUCKLSPJMN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213937;MM213937;C#CCCCC=CC=O;UIFZDVUUPWQOAW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213938;MM213938;C#CCCCC=CC#N;SKFHUVHKUTVESY-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213939;MM213939;C#CCCCC=NN=C;OAFZUNYIOWGXJA-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213940;MM213940;C#CCNCC=CC=C;BIHQPNJVWXGSFT-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213941;MM213941;C#CCOCC=CC=C;VYQQTJKGTUNKJX-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213942;MM213942;C#CCOCC=CC=O;JQCWDBUXJLSETM-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213943;MM213943;C#CCOCC=NN=C;YJTQBPVXIIOOBK-UHFFFAOYSA-N;124.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213944;MM213944;C#CCCNC=CC#N;YZNMBKOQUQEEGM-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213945;MM213945;C#CCCN=CNC=N;SATPSEZBHAONAJ-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213946;MM213946;C#CCCN=CNC=O;FAGJHCSKFOZSMR-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213947;MM213947;COCC(C)C(CO)=NN;KGCQSWXSABPYAK-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213948;MM213948;C#CCCNN=CC#N;IMESYNLCFJIPDP-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213949;MM213949;NN=C(CF)N(O)CCO;DFQUPCSEQLOJHS-UHFFFAOYSA-N;151.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213950;MM213950;C#CCON=CNC=O;MHGDTWVNTNYVLS-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213951;MM213951;C#CCCOC=CC=C;FRIKKVGYHGHCQM-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213952;MM213952;C#CCCOC=CC=O;JGXHMXNJVUCGOL-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213953;MM213953;C#CCCOC=CC#N;YGQQWQFPVGQUPN-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213954;MM213954;C#CCCOC=NN=C;BFKXIZKIDYAQKK-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213955;MM213955;C#CCCON=CC=C;RUUZSPKTSBWTKF-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213956;MM213956;C#CCCON=CC#N;DBWKDEDDKQICKQ-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213957;MM213957;C#CC=CCCCC#C;DAPRDUDHICVPIF-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213958;MM213958;C#CC=CCNCC#C;SADJYZFEDVFFTP-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213959;MM213959;C#CC=CCOCC#C;IGMZWMMZLVDJQE-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213960;MM213960;C#CC=NNCCC#C;YNUZBDUKSHIVIW-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213961;MM213961;C#CC=NOCCC#C;ILYAUZNQHKGKLJ-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213962;MM213962;CC=CCCC=CCC;JZOMOBUGVZDCPA-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213963;MM213963;CC=CCCC=CCN;FSLVHDGFKUUHLM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213964;MM213964;CC=CCCC=CCO;ONYJRUXYOCZIAW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213965;MM213965;CC=CCCC=CCF;ODMDZORVKDOTJW-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213966;MM213966;CCC=CCCC=CF;YIYWPIZKNSYDFF-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213967;MM213967;OCC=CCCC=CF;OUENHLYKRRRZEY-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213968;MM213968;CN1N=C(CO)CCC1=O;GJYVLKOWZDCQHN-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213969;MM213969;CCC=CCCC=NO;SUWXLMDYZPFMMU-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213970;MM213970;ON=CCCC=CCF;HJNYNTLXFGNWQP-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213971;MM213971;COC=CCCC=NO;HQOGXRLJRSYWCT-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213972;MM213972;CC=CCCC=NNC;GTFNSNRTJIOMGI-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213973;MM213973;CC=CCCC=NOC;ZALUYYSQTIWPSD-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213974;MM213974;CON=CCCC=CF;CQQFCXHZELCPTK-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213975;MM213975;CCC=CCN=CNC;JHJSNLCRAYZMIR-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213976;MM213976;CCC=CCN=CNN;XHEDTGSZSPJFMY-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213977;MM213977;NN=CNCC=CCO;FGLXPUCUMQKTMV-UHFFFAOYSA-N;129.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213978;MM213978;NCC=CCN=CNO;BGSKESOVVBQOML-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213979;MM213979;CNN=CCN=CNN;PVOMUILJDBKNPR-UHFFFAOYSA-N;129.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213980;MM213980;CNC=NCC=NOC;JRLNMXNUDJTVAL-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213981;MM213981;CC=NNCC=CCC;BWOPFBGZIYRSCT-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213982;MM213982;CC=NNCC=NOC;NEAROHLNYWCPKW-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213983;MM213983;CC=COCC=CCC;BDHGFDADXJFJDB-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213984;MM213984;CC=COCC=CCN;LWNWZUFIRWDQLN-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213985;MM213985;NCC=CCOC=CF;QSGISAHMOGIGHI-UHFFFAOYSA-N;131.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213986;MM213986;CC=COCC=COC;XWSNLMKWSJYRBA-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213987;MM213987;Cn1cnc(CO)cc1=O;PGQNJMIJDIUWRD-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213988;MM213988;Nn1ccc(CO)nc1=O;ZJHKBXCXJDURET-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213989;MM213989;OCC=CCOC=NO;FNCXWRYKIGYTGO-UHFFFAOYSA-N;131.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213990;MM213990;ON=COCC=CCF;OOLISDAPGSFLCQ-UHFFFAOYSA-N;133.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213991;MM213991;CC=COCC=NNC;KVTJURFORBBHSM-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213992;MM213992;CC=COCC=NOC;GFBARQIAGKNNCG-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213993;MM213993;CON=CCOC=CF;HUXYTGVVXFNQOU-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213994;MM213994;O=C1C=NC(CO)=CC1=O;RYYMUPZHKWDABG-UHFFFAOYSA-N;139.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213995;MM213995;CON=CCOC=NO;NBMBSRIIHGRGMM-UHFFFAOYSA-N;132.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213996;MM213996;CC=NOCC=CCC;BXUDOZXAPHJNOC-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213997;MM213997;CC=NOCC=CCN;UJJZZGQWKNMSON-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213998;MM213998;C#Cc1cc(C=NN)c[nH]1;YLFYSOBQOZGDGV-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM213999;MM213999;CC=NOCC=COC;BGUNASBOBGNRHR-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214000;MM214000;CC=NOCC=NOC;XMYQIZNXKCCFBM-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214001;MM214001;CCN=CNCC=CF;DTRWIHVVBWMCIV-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214002;MM214002;CCN=CNCC=NN;CNVXXWXWAHPZGZ-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214003;MM214003;CCN=CNCC=NO;UYLHHNAPYCIYAT-UHFFFAOYSA-N;129.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214004;MM214004;CON=CNCC=NN;LCGXQUDYKRAYDQ-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214005;MM214005;CC=CC1=CC(=NN)OC1;SCJVDNYOMNFOQU-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214006;MM214006;OCC=NNCC=NO;XCMJYHRVNPZGGK-UHFFFAOYSA-N;131.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214007;MM214007;ON=CCNN=CCF;BJLHTNCJRLCYCK-UHFFFAOYSA-N;133.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214008;MM214008;COC=NNCC=NO;GZJOAZBPPMVKRU-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214009;MM214009;CC1CC(CO)=NN1C=N;ZQRYDGLBZLOCIQ-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214010;MM214010;C=C1C(O)CC2(C#N)NC12;VYRBLBQSQZGZHQ-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214011;MM214011;CNN=CNOC=NO;DLNMOEDUIJOACQ-UHFFFAOYSA-N;132.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214012;MM214012;CON=CNOC=NO;ZILHHKUFUUWCPJ-UHFFFAOYSA-N;133.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214013;MM214013;CC=CCOC=CCF;OTRYSZGMPHTWCR-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214014;MM214014;CCC=COCC=CF;JCJPQNWYIOIPLV-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214015;MM214015;CC=CCOC=COC;KHMHUAAQIOSSRY-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214016;MM214016;COC=COCC=CF;HYZONQOJMOUTHJ-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214017;MM214017;C#CC12CC(O)C(=C)C1N2;LFOGKKCKRLMVRA-UHFFFAOYSA-N;135.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214018;MM214018;COC=COCC=NN;ATVPVOSZWFMSBX-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214019;MM214019;CC=CCOC=NOC;CMBISADPAWLYQH-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214020;MM214020;CON=COCC=CF;YPXIXHDJGVHGQO-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214021;MM214021;CON=COCC=NN;YWMIJTLUQHKJAY-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214022;MM214022;CC=CCON=CCC;JDBATULDLMQBKU-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214023;MM214023;CC=CCON=CCN;DYTQQWOGINJZEU-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214024;MM214024;N=Cn1ncc(CO)c1N;MTOQMTUARDOOAI-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214025;MM214025;CCC=NOCC=CF;KGKUSJVHKMPDBA-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214026;MM214026;N#CC(C=O)C1NC1CF;REESBNLIMXXAGU-UHFFFAOYSA-N;142.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214027;MM214027;CC=CCON=COC;FXJFMPXJYCEOBK-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214028;MM214028;COC=NOCC=CF;CNEISBXVYKXSGP-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214029;MM214029;CCC=NOCC=NN;ZBBMKVWFYLIUQW-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214030;MM214030;C=NN1C(C)C1C(O)CC;XIWTUCGWUFMQEQ-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214031;MM214031;COC=NOCC=NN;SVVCXWBXKUELSM-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214032;MM214032;C=CC=CCCC=CC;OEJHUOLBZPOEQP-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214033;MM214033;CC=CCCC=CC=O;CBXNRMOWVZUZQA-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214034;MM214034;CC=CCCC=CC#N;WAVCFZOBPNYRTG-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214035;MM214035;C=CC=CCCC=CF;NFKFDJDKZDWBPT-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214036;MM214036;O=CC=CCCC=CF;SZCPDVCXVCAEKC-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214037;MM214037;N#CC=CCCC=CF;FNIHNNNXMMWOGP-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214038;MM214038;C=CC=CCCC=NN;GIUISKKMMMQKAC-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214039;MM214039;C=CC=CCCC=NO;ALWFEHWYHZVIGC-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214040;MM214040;N#CC=CCCC=NO;CDMTURUVFUUVOT-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214041;MM214041;C=NN=CCCC=CC;OKIOSVLEKCHDQD-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214042;MM214042;C=NN=CCCC=NO;YMLQQJRLULKCJG-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214043;MM214043;C=CC=CCNC=NC;VNTHDNQNFVTNQJ-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214044;MM214044;CN=CNCC=CC#N;CXWIPZSEORNFJO-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214045;MM214045;C=CC=CCNC=NN;XVLXYIUKMAVPRR-UHFFFAOYSA-N;125.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214046;MM214046;C=NN=CCNC=NC;UQIZZAHRFUAVON-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214047;MM214047;CCC1=NN=C(NO)ON1;AMZJCQKOPIHGDP-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214048;MM214048;C=CC=CCNN=CC;QVSNPWMVDLWBHS-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214049;MM214049;CC=NNCC=CC=O;VVIZJBSHATZDBY-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214050;MM214050;C=NN=CCNN=CC;OSTXUDKUGUDVGB-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214051;MM214051;C=CC=CCOC=CC;XUIYTOANXGIGAN-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214052;MM214052;CC=COCC=CC=O;AGMKCUIQHIIOOW-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214053;MM214053;CC=COCC=CC#N;CEIUUKJVHMPZBM-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214054;MM214054;C=CC=CCOC=CF;SELQRGRUUVVDCQ-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214055;MM214055;N#CC=CCOC=CF;IKEKIQHVYPCBPY-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214056;MM214056;C#CC1NCC1=O;FQVRWIDTOKHYLL-UHFFFAOYSA-N;95.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214057;MM214057;C=CC=CCOC=NO;XTSIFNWMPIDCHR-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214058;MM214058;O=CC=CCOC=NO;BABLOZFIPYFXET-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214059;MM214059;C=NN=CCOC=CC;XWIJRHXKBYSJEV-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214060;MM214060;C=NN=CCOC=CF;GDCYEKXOEWRBDF-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214061;MM214061;OCC1=NNCC1;WRORWDVJEMQZRS-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214062;MM214062;C=CC=CCON=CC;NHCGZNSDNZERID-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214063;MM214063;CC=NOCC=CC=O;GLQAWVWWKRFQNL-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214064;MM214064;CC=NOCC=CC#N;POIDBXAIWHRKIS-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214065;MM214065;C=NN=CCON=CC;YEQQCTUQYJVGOQ-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214066;MM214066;CC=CCNC=CC=O;JSCYOCSZZOFPEG-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214067;MM214067;CC=CCNC=CC#N;USYPOJXWXLTTEN-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214068;MM214068;O=CC=CNCC=NO;AIXBKKNHCBOXTC-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214069;MM214069;CC=CCN=CNC=N;HTCXERDPDJSXIJ-UHFFFAOYSA-N;125.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214070;MM214070;CC=CCN=CNC=O;JBNLUYKPWGOPIP-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214071;MM214071;COc1cc[nH]n1;ZGSNZVRXASCXRP-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214072;MM214072;N=CN(O)C=C(F)F;FHCIMQVJHOUHMR-UHFFFAOYSA-N;122.07;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214073;MM214073;N=CNC=NCC=NN;ZKUFVLAMTWBFQI-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214074;MM214074;Cc1cc(F)[nH]c1N;SNSNPZFFTCIIFA-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214075;MM214075;C=CC=NNCC=CC;IUXNJUGVAXMHKK-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214076;MM214076;C=NOC(CO)CF;ZAWCKNJJNVWZTR-UHFFFAOYSA-N;121.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214077;MM214077;CC=CCNN=CC#N;NDPUKDIIKMOUBZ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214078;MM214078;C=CC=NNCC=CF;GGJGAUXGZNBYFD-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214079;MM214079;CC=CC(CO)=NN;CAGMGOHTSSTCDS-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214080;MM214080;N#CC=NNCC=CF;MLCRGHOTUZNATK-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214081;MM214081;C=CC=NNCC=NN;OJYBUGWAPVHVKU-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214082;MM214082;CN=CNNC=CC=O;QVPQSHAMWFWURR-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214083;MM214083;N#CC=CNNC=NO;HHLKOGWGOUUIHB-UHFFFAOYSA-N;126.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214084;MM214084;N=CNC=NNC=NN;YDKFCTVSFHPKKB-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214085;MM214085;C=CC(CO)=NNC;PRBYDKPZYRMJEQ-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214086;MM214086;N=CNC=NNC=NO;MMSPCDYIIYLOKD-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214087;MM214087;O=CNC=NNC=NO;SLYYFWSALSSGDY-UHFFFAOYSA-N;130.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214088;MM214088;C=NN=CNNC=NC;CQAFTEJEOYWTCQ-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214089;MM214089;NN=CON=CNC=O;XALAQWIVHNXOQT-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214090;MM214090;O=CNC=NOC=NO;ZCAFBIYKOZRQAY-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214091;MM214091;CC1CC(CO)=NN1;UQBKQUBTASUFIQ-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214092;MM214092;C=CC=COCC=CC;ZHVPMIGMJNJJOT-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214093;MM214093;CC=CCOC=CC=O;BPIPEUONMZCSNR-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214094;MM214094;CC=CCOC=CC#N;SSIXWAWTSFGWNP-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214095;MM214095;N#CC=COCC=CF;NAARNUHNHFCRKC-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214096;MM214096;C=CC=COCC=NN;ZEDQSEQZJJWCHM-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214097;MM214097;C=CC=COCC=NO;OEYNCOYIAZOHFH-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214098;MM214098;C=NN=COCC=CC;UCKMTWJWTJHSLQ-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214099;MM214099;C=NN=COCC=CF;XITAMQIUTDACOD-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214100;MM214100;C=CC=NOCC=CC;DIXQGTDZXAOESO-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214101;MM214101;CC=CCON=CC#N;DVYAULJSBGJFHJ-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214102;MM214102;C=CC=NOCC=CF;NKHZQKKEJDNGNO-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214103;MM214103;N#CC=NOCC=CF;MTWGREKSILCIFE-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214104;MM214104;C#CC=CCCC=CC;ROPNZBBJJNIUEA-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214105;MM214105;C#CC=CCCC=CF;AQRSOJKPIIQAQY-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214106;MM214106;C#CC=CCCC=NN;YVEQLUBFFXKYCX-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214107;MM214107;C#CC=CCCC=NO;YLOKBTFGAZUXED-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214108;MM214108;C#CC=CCNC=NC;XJYLFGFCMVBUAZ-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214109;MM214109;C#CC=CCNC=NN;VSLKTCBGOQBOSM-UHFFFAOYSA-N;123.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214110;MM214110;O=C1CN=C(NO)O1;BXXWDOOKPGPKAN-UHFFFAOYSA-N;116.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214111;MM214111;C#CC=CCNN=CC;DXPIOXYJDHVOCW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214112;MM214112;C#CC=CCOC=CC;SBIAZDSVGBZRBU-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214113;MM214113;C#CC=CCOC=CF;ZPQVDNVKFICPAQ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214114;MM214114;C#CC=CCON=CC;LALRWJGLTBWUEO-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214115;MM214115;C#CC=NNCC=CC;VDFIFOQNRPYIEZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214116;MM214116;C#CC=NNCC=CF;SXTONQSSXCZGMD-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214117;MM214117;C#CC=COCC=CC;YSLLGXOIXVLYMJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214118;MM214118;C#CC=COCC=CF;JTCMYGCMDVGKDX-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214119;MM214119;C#CC=COCC=NN;XTNOQPGUXJAPHL-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214120;MM214120;C#CC=NOCC=CC;ORDQGRYDECFRFB-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214121;MM214121;C#CC=NOCC=CF;JDRPPSJVBXURRV-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214122;MM214122;CC#CCCC=CCC;ZQSXBEXRJWBQOM-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214123;MM214123;CC#CCCC=CCN;XXBULUOZTUTWIA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214124;MM214124;CC#CCCC=CCO;BNMLGIYFHLPYLR-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214125;MM214125;CC#CCCC=CCF;WZRKPQODHSKENF-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214126;MM214126;CC#CCCC=COC;GTUKDPGTMDCVDV-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214127;MM214127;CC#CCCC=NNC;ZDFHSJWJHCTABC-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214128;MM214128;CC#CCCC=NOC;XZIKBEHRIIKAAL-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214129;MM214129;CC#CCNC=NCC;MLHPMSJWWAUYKE-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214130;MM214130;CC#CCNC=NOC;FPCCXSOCHKLQDV-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214131;MM214131;CC#CCNN=CCC;WHHAQBYUAWTPAA-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214132;MM214132;CN1CCC(CO)=N1;MYALXLBYZBOZQJ-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214133;MM214133;CC#CCOC=CCC;ZSRQMDWNVSUVKU-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214134;MM214134;CC#CCOC=CCN;PFDOSLIDFCXKFR-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214135;MM214135;CC#CCOC=CCO;AQTQIHLALNRLFP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214136;MM214136;CC#CCOC=CCF;IZEBZSXXVNNMKU-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214137;MM214137;CC#CCOC=COC;YGLMJCICHBLLBT-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214138;MM214138;OCC1=NN2CC2C1;ZVXPAKBSZNXNQY-UHFFFAOYSA-N;112.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214139;MM214139;CC#CCOC=NOC;IYEFRRLFTYOCNI-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214140;MM214140;CC#CCON=CCC;BGOGDNOTWKJUTJ-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214141;MM214141;CC1(C)CC(CO)=NN1;RQDVEBRWDVSUOI-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214142;MM214142;CC1(C)ON=C(NO)O1;CGHIPXPYTIVVSG-UHFFFAOYSA-N;132.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214143;MM214143;CC#CCON=COC;QHHBYHPTTGDHBN-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214144;MM214144;C=CC=CCCC#CC;YQRCQPZGLOVXQI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214145;MM214145;CC#CCCC=CC=O;TXOWZVSSWTZXHI-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214146;MM214146;CC#CCCC=CC#N;OUMOPDONPRIVRI-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214147;MM214147;C=NN=CCCC#CC;KSJWOHMVBSSUSO-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214148;MM214148;CC#CCNC=CC=O;FFAUGOUCVJANAA-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214149;MM214149;CC#CCNC=CC#N;SMYANOVPKJKPMO-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214150;MM214150;CC#CCN=CNC=N;GZDCGFOJCOGNRK-UHFFFAOYSA-N;123.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214151;MM214151;CC(CO)=NN(C)C=N;SPVUDLUFRWFKLV-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214152;MM214152;C=CC=NNCC#CC;AXBJCZYDRAXBEA-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214153;MM214153;CC(CO)=NN(C)C=O;XBUGRYCEDOTUKH-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214154;MM214154;CC#CCNN=CC#N;IQHLXJPMQPLFCB-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214155;MM214155;C=CC=COCC#CC;YNUIIKLAUXAKJR-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214156;MM214156;CC#CCOC=CC=O;RCJJRGPRBXZXID-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214157;MM214157;CC#CCOC=CC#N;PXZAOKPBOMSULW-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214158;MM214158;C=NN=COCC#CC;PPYUUYGJIKGWNM-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214159;MM214159;C=CC=NOCC#CC;KOAXXGRAUZOTLL-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214160;MM214160;CC#CCON=CC=O;UUOATHHVGKRILX-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214161;MM214161;CC#CCON=CC#N;PEDDCVDBGKFEGZ-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214162;MM214162;C#CC=CCCC#CC;CWVFFHBGAXJHIH-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214163;MM214163;CCC(CO)=NN(C)C;CXZBBXIURBZFFV-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214164;MM214164;C#CC=COCC#CC;BBAWAQQJNBYGAV-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214165;MM214165;C#CC=NOCC#CC;OSJPANWOFSNMKN-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214166;MM214166;CCC#CCCCCC;SRRDSRCWRHKEKU-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214167;MM214167;CCCCCC#CCN;CFEQWBSLONZMTF-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214168;MM214168;CCCCCC#CCO;TTWYFVOMGMBZCF-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214169;MM214169;CCCCCC#CCF;GPULRSDMVFBDRX-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214170;MM214170;CCC#CCCCCN;DPFXFLGBIUSNTF-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214171;MM214171;NCCCCC#CCF;UOYZEZAZRBJGEY-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214172;MM214172;C#CCN(O)C(=N)CF;AEZHAZMBHCHZKM-UHFFFAOYSA-N;130.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214173;MM214173;CCC#CCCCCF;QSHONUPSFBHHFJ-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214174;MM214174;NCC#CCCCCF;AWKGLUJIKAKWBT-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214175;MM214175;CCC#CCCCNC;LEUHYTQBQLZASZ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214176;MM214176;CCC#CCCCOC;DXHNLWLGLMIFQT-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214177;MM214177;COCCCC#CCN;VAHPNJTWVSHILA-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214178;MM214178;COCCCC#CCO;LFNFMPSUBTWKCF-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214179;MM214179;CCC#CCCNCC;KRWMMFFHFMVKAM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214180;MM214180;CCNCCC#CCN;COJHJIZUPQCXFW-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214181;MM214181;CCC#CCCOCC;LLWGAXQCITWPTR-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214182;MM214182;CCOCCC#CCN;IGMDYPQRENHOIY-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214183;MM214183;CCOCCC#CCO;VFVSGSRAFXADEZ-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214184;MM214184;CCOCCC#CCF;WOGIYUIYBPARLB-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214185;MM214185;CCC#CCNCCC;XSIVAGJTQCEKAF-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214186;MM214186;CCCNCC#CCN;VMLUZZNPGMMDRS-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214187;MM214187;CCCNCC#CCF;STGWJFBJWQHAQY-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214188;MM214188;CCC#CCNCCN;JDWFKLYHZCYQMR-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214189;MM214189;NCC#CCNCCN;LXLUGDLQBPVKTF-UHFFFAOYSA-N;127.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214190;MM214190;NCCNCC#CCO;VXQRXMYTEOWJJM-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214191;MM214191;NCCNCC#CCF;MXLWCZSZOANHCI-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214192;MM214192;NCC#CCNCCO;IISJNOKDDWFBPT-UHFFFAOYSA-N;128.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214193;MM214193;OCCNCC#CCF;HQTSPHXAJCEPHJ-UHFFFAOYSA-N;131.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214194;MM214194;NCC#CCNCCF;HJAQRIISPNGRPB-UHFFFAOYSA-N;130.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214195;MM214195;CCC#CCOCCC;DCMJHTDJQUWSFP-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214196;MM214196;CCCOCC#CCN;GMXKWUPMGMNOPG-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214197;MM214197;CCCOCC#CCO;HCWMOGDFRDCBQN-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214198;MM214198;CCCOCC#CCF;UOFJWRQDJPSWMK-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214199;MM214199;CCC#CCOCCN;JLSAGHHCVHSMGV-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214200;MM214200;NCC#CCOCCN;MXOUMKFPBQKIKS-UHFFFAOYSA-N;128.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214201;MM214201;NCCOCC#CCO;MXDPCXUVDYCNSH-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214202;MM214202;CCC#CCOCCO;ORGMASRKIMKCPT-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214203;MM214203;NCC#CCOCCO;IPNIACPKIXQHDY-UHFFFAOYSA-N;129.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214204;MM214204;OCC#CCOCCO;IYPXDXFMIFEISF-UHFFFAOYSA-N;130.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214205;MM214205;OCCOCC#CCF;RHSGHDCNDLTMCJ-UHFFFAOYSA-N;132.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214206;MM214206;CCC#CCOCCF;OFEDGVDPJVDHTI-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214207;MM214207;FCC#CCOCCF;AMQWZFWJIWAJHS-UHFFFAOYSA-N;134.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214208;MM214208;CCC#CCOCOC;HXMFUWWGCJDFTP-UHFFFAOYSA-N;128.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214209;MM214209;COCOCC#CCN;ZVLVFBGLNQZPHK-UHFFFAOYSA-N;129.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214210;MM214210;COCOCC#CCO;LUUQLFACXQOAIU-UHFFFAOYSA-N;130.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214211;MM214211;COCOCC#CCF;YJASEHIYGMCBNR-UHFFFAOYSA-N;132.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214212;MM214212;C=CC#CCCCCC;PQTWNYIRLGTLFQ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214213;MM214213;CCCCCC#CC=O;DUUGWLGPIZCNLM-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214214;MM214214;CCCCCC#CC#N;QXXNZPGFAYCFIN-UHFFFAOYSA-N;121.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214215;MM214215;C=CC#CCCCCN;JDOSGRKDSZVNMZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214216;MM214216;C=CC#CCCCCO;QXUVVNWHDJSKEU-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214217;MM214217;N#CC#CCCCCO;OSWSIBACVFSMGH-UHFFFAOYSA-N;123.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214218;MM214218;C=CC#CCCCCF;ZFYFKPBOLBJLFN-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214219;MM214219;C=CC#CCCCNC;ANFPLUMOOHAJBM-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214220;MM214220;CNCCCC#CC=O;JBRTXSYBKOVABC-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214221;MM214221;CNCCCC#CC#N;KVFFKBYIAKWFKU-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214222;MM214222;C=CC#CCCCOC;ZVBZFFGVBVNQIK-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214223;MM214223;COCCCC#CC=O;YQKBHFSZKQIYJF-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214224;MM214224;COCCCC#CC#N;ZYVYDVGWRJJNQE-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214225;MM214225;C=CC#CCCNCC;UDDQPIVXMFGGOE-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214226;MM214226;CCNCCC#CC#N;MTROYIAIBUIIHE-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214227;MM214227;C=CC#CCCOCC;HWOSSCXCWSVCPP-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214228;MM214228;CCOCCC#CC=O;KSDCSQZWVZOFGT-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214229;MM214229;CCOCCC#CC#N;MWKUNLCZRHIALC-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214230;MM214230;C=CC#CCNCCC;QIBNNSNQNPIFDE-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214231;MM214231;CCCNCC#CC=O;MYBZDWBJCQABSQ-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214232;MM214232;C=CC#CCNCCN;UJCMDNQGGCZRRH-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214233;MM214233;C=CC#CCOCCC;KLLFVZPCIUWXTN-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214234;MM214234;CCCOCC#CC=O;CWWJCAYHDLQTES-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214235;MM214235;CCCOCC#CC#N;VGQBCUUGGAPDDQ-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214236;MM214236;C=CC#CCOCCN;KZNRRGJBSKZBPQ-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214237;MM214237;O=CC#CCOCCO;NPCLFSIKJMYDDF-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214238;MM214238;C=CC#CCOCCF;XRJOXPRKRJDBRP-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214239;MM214239;O=CC#CCOCCF;OBGQDXUGFUFMFO-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214240;MM214240;C=CC#CCOCOC;NHLIWDHZIYCTMM-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214241;MM214241;COCOCC#CC=O;BLTIWLLYOGSEQO-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214242;MM214242;COCOCC#CC#N;JVUYWIYRNQTCKS-UHFFFAOYSA-N;125.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214243;MM214243;C#CC#CCCCCC;MDPYXRKGNQHQPP-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214244;MM214244;C#CC#CCCCCN;NLPPCEQLJSCICH-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214245;MM214245;C#CC#CCCCCO;MUPPZGZHSCECDA-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214246;MM214246;C#CC#CCCCCF;AIGFIXWHZGIKMY-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214247;MM214247;C#CC#CCCCNC;WHHVQKQPGIZEAU-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214248;MM214248;C#CC#CCCCOC;AXXRNVLYMSOJDV-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214249;MM214249;C#CC#CCCNCC;KZALKWVZRUUHGA-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214250;MM214250;C#CC#CCCOCC;ZELVPBGXCYGPHU-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214251;MM214251;C#CC#CCNCCC;CBIFJHPEISMKPU-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214252;MM214252;C#CC#CCOCCC;JLIXLLVQEXGGIN-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214253;MM214253;C#CC#CCOCCN;TWUOLBLXYBCHBD-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214254;MM214254;C#CC#CCOCCF;ZXUYNDBOIGMUGL-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214255;MM214255;C#CC#CCOCOC;CLKLOPJNVWEGNG-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214256;MM214256;C=CCCCC#CCC;MWIOMNUTLCVEGI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214257;MM214257;C=CCCCC#CCN;DHSVSKZRVJHDGE-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214258;MM214258;C=CCCCC#CCO;LGQNPMNCYKABOD-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214259;MM214259;C=CCCCC#CCF;ZXEUEEJVRBXKAC-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214260;MM214260;CCC#CCCCC=O;HADCXWGBWHXQKV-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214261;MM214261;CCC#CCCCC#N;UDYUMHJEOSQWRU-UHFFFAOYSA-N;121.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214262;MM214262;O=CCCCC#CCO;SIZVUXIMVQOWIB-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214263;MM214263;N#CCCCC#CCO;DPPAXROPUQULFK-UHFFFAOYSA-N;123.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214264;MM214264;O=CCCCC#CCF;ZIJXGCMFYLVUOO-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214265;MM214265;N#CCCCC#CCF;IOLCVMWVDHUQSZ-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214266;MM214266;CCC#CCCNC=N;QEEVMYBBBMAURU-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214267;MM214267;N=CNCCC#CCO;IBYDIVLSLOTMRS-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214268;MM214268;N=CNCCC#CCF;QVVCVHCFCKQHAA-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214269;MM214269;C=CC(O)C(C)C=NN;YOVGHEOIAYFQOL-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214270;MM214270;NCC#CCCNC=O;OZFOWYZNLUJMKO-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214271;MM214271;O=CNCCC#CCF;PNLZYJHOLLWAIA-UHFFFAOYSA-N;129.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214272;MM214272;C=NNCCC#CCC;SEMXFPATCCCEDF-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214273;MM214273;C=NNCCC#CCF;LEZFSVUCWPKJKW-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214274;MM214274;C=COCCC#CCC;FARPPZKCKZDONN-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214275;MM214275;C=COCCC#CCN;VLHWOFJLQORHFU-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214276;MM214276;C=COCCC#CCO;KDIHMJLWENDGMW-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214277;MM214277;C=COCCC#CCF;XYVXRJWDJNUOEY-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214278;MM214278;CCC#CCCOC=O;CJZWXYSCHXVRKO-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214279;MM214279;O=COCCC#CCO;JIXMDUBMZGMLRT-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214280;MM214280;O=COCCC#CCF;RAYZGAIBMJLGQS-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214281;MM214281;C=NOCCC#CCC;KGDBKNSTOIFGFR-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214282;MM214282;C=NOCCC#CCN;GOYAFLALOUWJHF-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214283;MM214283;C=NOCCC#CCF;DWOXKAZEJYJNBD-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214284;MM214284;C=CCNCC#CCC;MHDFMNZCTDBEAG-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214285;MM214285;C=CCNCC#CCF;LQUZFQNPXIPJDE-UHFFFAOYSA-N;127.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214286;MM214286;CCC#CCNCC#N;HXBUSXLBQPEIGM-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214287;MM214287;CCC#CCNNC=N;QJROCABOVVGLBG-UHFFFAOYSA-N;125.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214288;MM214288;N=CNNCC#CCN;QHARVPZAKPZRQO-UHFFFAOYSA-N;126.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214289;MM214289;N=CNNCC#CCO;BILSUKCAOFRUOA-UHFFFAOYSA-N;127.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214290;MM214290;N=CNNCC#CCF;VQEVTOKUNPLONX-UHFFFAOYSA-N;129.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214291;MM214291;NCC#CCNNC=O;CHVLDWZMCQINBS-UHFFFAOYSA-N;127.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214292;MM214292;O=CNNCC#CCO;LQCSKHTVCNRJPC-UHFFFAOYSA-N;128.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214293;MM214293;O=CNNCC#CCF;HATCSKZCXGMGMR-UHFFFAOYSA-N;130.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214294;MM214294;C=CCOCC#CCC;KBZNUHOQBSIBAE-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214295;MM214295;C=CCOCC#CCF;HKAGAMXSJKDSCA-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214296;MM214296;CCC#CCOCC=O;CIASCZLKVZRMNZ-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214297;MM214297;CCC#CCOCC#N;SMWHRVVTORHOFK-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214298;MM214298;O=CCOCC#CCO;CAXAGMSUZWFFTE-UHFFFAOYSA-N;128.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214299;MM214299;O=CCOCC#CCF;OSSFUJBGIIOZPR-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214300;MM214300;CCC#CCONC=N;PKEYHHVLYBMCPW-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214301;MM214301;N=CNOCC#CCN;ZHZDQNVLYQEXDB-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214302;MM214302;N=CNOCC#CCO;RYEHQXMZASQDED-UHFFFAOYSA-N;128.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214303;MM214303;CCC#CCONC=O;REEFAFUDOFPTHV-UHFFFAOYSA-N;127.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214304;MM214304;NCC#CCONC=O;WWVWCOFQQHYMND-UHFFFAOYSA-N;128.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214305;MM214305;O=CNOCC#CCO;GQQNUYYKRMRFEX-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214306;MM214306;C=CC#CCCCC=C;DMKVNGYHXJVHBM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214307;MM214307;C=CCCCC#CC=O;MJJSAPMIIGNIGR-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214308;MM214308;C=CCCCC#CC#N;ICZIQVBAJUWVTM-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214309;MM214309;C=CC#CCCCC=O;BIDOMYOQURYGRH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214310;MM214310;C=CC#CCCCC#N;QUSBOLAAMMLMKH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214311;MM214311;O=CC#CCCCC=O;MGMZXFUBAMBNDI-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214312;MM214312;N#CCCCC#CC=O;DBAJNXGDTBJZML-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214313;MM214313;C=CC#CCCNC=N;DIPDUGFUPZHQGL-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214314;MM214314;Cc1nc(O)n(C)c1N;MZDXADHTDMWGMX-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214315;MM214315;O=CC#CCCNC=O;ICQZUHKVSXISAH-UHFFFAOYSA-N;125.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214316;MM214316;C=CC#CCCNN=C;JJZZSXVCSVIZKB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214317;MM214317;C=NNCCC#CC=O;BJIFYVDPOWPVHH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214318;MM214318;C=NNCCC#CC#N;KFGUEBQCKUZGKB-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214319;MM214319;C=CC#CCCOC=C;MHNMRCQBCPIJBJ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214320;MM214320;C=COCCC#CC=O;UQWXYNGZJHMOBU-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214321;MM214321;C=COCCC#CC#N;RPUNSKYPFWHPQK-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214322;MM214322;C=CC#CCCOC=O;AWIGHVPECLTNBM-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214323;MM214323;O=CC#CCCOC=O;VXZGXOKHODAUFW-UHFFFAOYSA-N;126.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214324;MM214324;N#CC#CCCOC=O;YXRLVOIMAYWGNV-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214325;MM214325;C=CC#CCCON=C;KJCUYOYJAFEEIQ-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214326;MM214326;C=C1CC(=NN)CC1O;IPIWMNBEMNJNAS-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214327;MM214327;CC1CC(CO)=NN1C;VACDNOPNXFUDGP-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214328;MM214328;C=CC#CCNCC=C;QSSUJJKRXGGKCE-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214329;MM214329;N#CCNCC#CC=O;JDCCIFXEWCCCHN-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214330;MM214330;CC12CC(CO)=NN1C2;YCROZVUQMYPUAO-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214331;MM214331;N#CC#CCNCC#N;SCNNQKOSKRMGNJ-UHFFFAOYSA-N;119.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214332;MM214332;N#CC#CCNNC=N;YYSXWWUVUSICLO-UHFFFAOYSA-N;122.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214333;MM214333;N#CC#CCNNC=O;GJQXRLZMXNNQDH-UHFFFAOYSA-N;123.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214334;MM214334;C=CC#CCOCC=C;OKINMNWUPXCQFM-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214335;MM214335;C=CCOCC#CC=O;GJGGWOYWOJENKI-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214336;MM214336;C=CCOCC#CC#N;LOBYNNUUMRKZRD-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214337;MM214337;C=CC#CCOCC=O;MBUPDLJWRCTGHF-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214338;MM214338;O=CC#CCOCC=O;QSUQINYPFSGTMT-UHFFFAOYSA-N;126.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214339;MM214339;N#CC#CCOCC=O;YCKBOACMUFEIHI-UHFFFAOYSA-N;123.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214340;MM214340;N#CC#CCOCC#N;HKLIGKSJPPBDEV-UHFFFAOYSA-N;120.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214341;MM214341;C=CC#CCONC=N;TYMXZJFZWWEFSS-UHFFFAOYSA-N;124.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214342;MM214342;N=CNOCC#CC=O;FZXQRVDNSYQYIS-UHFFFAOYSA-N;126.12;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214343;MM214343;O=CC#CCONC=O;DLTQJLIJSBACPF-UHFFFAOYSA-N;127.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214344;MM214344;C#CC#CCCCC=C;JBRNBCHPZYIORV-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214345;MM214345;C#CC#CCCCC=O;GDSVNSYBLKUSOS-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214346;MM214346;C#CC#CCCCC#N;NRSAMTDXMSVARK-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214347;MM214347;C#CC#CCCNC=N;ODCCOEZCNMWZTB-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214348;MM214348;C#CC#CCCNC=O;DKTMUWAGRPYGIP-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214349;MM214349;C#CC#CCCNN=C;JUFPTLYKNSMNBM-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214350;MM214350;C#CC#CCCOC=C;GIBZDLFUWLVEGS-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214351;MM214351;C#CC#CCCOC=O;FUTPJJPFSDGILS-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214352;MM214352;N#CC12CC(O)C(C1)N2;CNLHLAHBKYJDMZ-UHFFFAOYSA-N;124.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214353;MM214353;C#CC#CCNCC#N;NONQCFJVPNEOGZ-UHFFFAOYSA-N;118.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214354;MM214354;C#CC#CCOCC=C;MYYYBJAFWHNORU-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214355;MM214355;C#CC#CCOCC=O;SUXQUTPUUOFTNH-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214356;MM214356;C#CC#CCONC=O;ZYGFMMMCQAGHAL-UHFFFAOYSA-N;123.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214357;MM214357;C#CCCCC#CCC;UBAOHSDCTCLHQF-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214358;MM214358;C#CCCCC#CCN;QTRONVFWBSGKHM-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214359;MM214359;C#CCCCC#CCO;NSBKXSYBVINESD-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214360;MM214360;C#CCCCC#CCF;RKONWPOGSDMOFW-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214361;MM214361;C#CCOCC#CCC;LKMSRTCHQOUNBJ-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214362;MM214362;C#CCOCC#CCF;CRJRBFCUTAIBFC-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214363;MM214363;C#CCCCC#CC=C;CEBFMUWOXHKBTQ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214364;MM214364;C#CCCCC#CC=O;SUAIQLUMBWYTQR-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214365;MM214365;C#CCCCC#CC#N;MYXXNADZMDDQAK-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214366;MM214366;C#CCOCC#CC=C;BGQHLIWGXMDOJA-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214367;MM214367;C#CCOCC#CC#N;BQYWSQHKFMIDGM-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214368;MM214368;C#CC#CCCCC#C;IYZAZSVBWMMSLQ-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214369;MM214369;C#CC#CCOCC#C;CKGXXGCVJFSNLB-UHFFFAOYSA-N;118.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214370;MM214370;CC=CCCC#CCC;YCBKLZDBLHRFJN-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214371;MM214371;CC=CCCC#CCN;POBRLDFZWJZLIA-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214372;MM214372;CC=CCCC#CCO;MDBBJQXSWKJHGO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214373;MM214373;CC=CCCC#CCF;RJNNPHNYWTZMAM-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214374;MM214374;CCC#CCCC=CF;CAIBAHHOCBRQQV-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214375;MM214375;NCC#CCCC=CF;ZZWUOKXAAGALKH-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214376;MM214376;FC=CCCC#CCF;KFQOHIKNEMHJCU-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214377;MM214377;CCC#CCCC=NN;XIKBWAVITGBARI-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214378;MM214378;NN=CCCC#CCF;XSPZSFKLMWFBKF-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214379;MM214379;CCC#CCCC=NO;XBUJMJVFBGVHPO-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214380;MM214380;ON=CCCC#CCF;JMGNMPBUQBSXMZ-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214381;MM214381;CCC#CCN=CNC;NPZXNPOTCJMFMH-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214382;MM214382;CN=CNCC#CCN;LBRZCJPUJHFMQP-UHFFFAOYSA-N;125.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214383;MM214383;CC=NNCC#CCC;UHXJMVXYWHQTEA-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214384;MM214384;CC=NNCC#CCN;PRGWPNCYTPGLHO-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214385;MM214385;CC=NNCC#CCF;BXJVUJGRBZTTFS-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214386;MM214386;CC=COCC#CCC;WECOJUCVEAZRKO-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214387;MM214387;CC=COCC#CCN;LMAIJBXKZDDRFE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214388;MM214388;CC=COCC#CCO;SKJWCTWHOTVNOP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214389;MM214389;CC=COCC#CCF;OQCBBFDRZHBTFG-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214390;MM214390;CCC#CCOC=CF;SHPXVVYEBYIROR-UHFFFAOYSA-N;128.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214391;MM214391;NCC#CCOC=CF;WVHQGTROONSHOD-UHFFFAOYSA-N;129.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214392;MM214392;OCC#CCOC=CF;ONRJEZRYFKVYAK-UHFFFAOYSA-N;130.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214393;MM214393;FC=COCC#CCF;RURPPUAOWWHPJE-UHFFFAOYSA-N;132.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214394;MM214394;Nc1c(CO)cnn1N;CSUIMIVXIAXCEB-UHFFFAOYSA-N;128.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214395;MM214395;CCC#CCOC=NO;FDEWPAKEOSDNMU-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214396;MM214396;CC=NOCC#CCC;YSMAZVXKQRFWNK-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214397;MM214397;CC=NOCC#CCF;YQDPQADDHUTTFP-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214398;MM214398;C=CC#CCCC=CC;IFBRHXQXWJESPR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214399;MM214399;CC=CCCC#CC=O;FCKODSYWJLKLLF-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214400;MM214400;CC=CCCC#CC#N;OJFWPDDCGJHTDV-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214401;MM214401;C=CC#CCCC=CF;GVCHZNPZEYWBHP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214402;MM214402;O=CC#CCCC=CF;PTGYJWCRMKAJFH-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214403;MM214403;N#CC#CCCC=CF;PWUQUUPBKYNATQ-UHFFFAOYSA-N;123.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214404;MM214404;C=CC#CCCC=NN;PBOGAGYEMZVILP-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214405;MM214405;C=CC#CCCC=NO;RCMVQHLRTASDHH-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214406;MM214406;O=CC#CCCC=NO;DUAJQXHWLHHBBB-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214407;MM214407;N#CC#CCCC=NO;KRLZMYNMNASMBJ-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214408;MM214408;C=CC#CCNC=NC;CAFDIXCVWBBAQJ-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214409;MM214409;CN=CNCC#CC#N;JGYXACATEBMBGV-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214410;MM214410;C=CCCC(CO)=NN;VKLMYHOZGKPMHI-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214411;MM214411;O=CC#CCNC=NO;RSVIBBYZZQOYNR-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214412;MM214412;C=CC#CCNN=CC;DMBSZDHCZNXRFZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214413;MM214413;CCC1CC(CO)=NN1;UNUIDFLRRURCNN-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214414;MM214414;C=CC#CCOC=CC;UXBSMNXHYKIYBZ-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214415;MM214415;CC=COCC#CC=O;YHSOPIMEXJQUIE-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214416;MM214416;CC=COCC#CC#N;BJIZLBIPYOCLKJ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214417;MM214417;C=CC#CCOC=CF;CKCMBEVVPDZFQG-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214418;MM214418;O=CC#CCOC=CF;VDEATPGOKQBZKS-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214419;MM214419;N#CC#CCOC=CF;ABUKGWLHDSDZBW-UHFFFAOYSA-N;125.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214420;MM214420;C=CC#CCON=CC;AYECEMVSCQBNKG-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214421;MM214421;CC=NOCC#CC=O;WZVIWRMMIGTPBQ-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214422;MM214422;C=CC1CC(CO)=NN1;HGUYQHAXSXQADD-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214423;MM214423;C#CC#CCCC=CC;VLZMEOBSDYKQBA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214424;MM214424;C#CC#CCCC=CF;OCLDUSGMYZIXPM-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214425;MM214425;C#CC#CCCC=NN;RHFCAFQLTFUVTN-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214426;MM214426;C#CC#CCCC=NO;SEZVPPKKJHWPQV-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214427;MM214427;C#CC#CCNC=NC;VEEGXKKGFNKGTB-UHFFFAOYSA-N;120.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214428;MM214428;C#CC#CCNC=NO;KSUMKZYVFOMQBJ-UHFFFAOYSA-N;122.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214429;MM214429;O=CC1CC(CO)=NN1;LRCQZLZZRCJSBU-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214430;MM214430;C#CC#CCOC=CC;QGHRUCORGRTPSK-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214431;MM214431;C#CC#CCOC=CF;BKPYOKCTYVGBGP-UHFFFAOYSA-N;124.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214432;MM214432;C#CC#CCON=CC;QPJKANLBNBMLCP-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214433;MM214433;CC#CCCC#CCC;FZDLXKXVNYYAQD-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214434;MM214434;CC#CCCC#CCN;ONVTUCWUNBGROD-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214435;MM214435;CC#CCCC#CCO;FEIWDTIQJIBZFW-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214436;MM214436;CC#CCCC#CCF;OMNZXLZFTWSJLB-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214437;MM214437;C=CC#CCCC#CC;HFOBTZQGAWNSFF-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214438;MM214438;CC#CCCC#CC=O;OGUKPSAJKLCICG-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214439;MM214439;CC#CCCC#CC#N;WSBIYSQBJQIMIP-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214440;MM214440;C#CC#CCCC#CC;QYYNNWXHWVFGEF-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214441;MM214441;CCC=CCC=CCC;GQQQKUIHXIZOCM-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214442;MM214442;CCC=CCC=CCN;BDKVDNAPWMYILV-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214443;MM214443;CCC=CCC=CCO;INXWZSVGTHMNEU-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214444;MM214444;CCC=CCC=CCF;XIRMQBLSTMSWPM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214445;MM214445;NCC=CCC=CCO;AROGENXGUOYYME-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214446;MM214446;NCC=CCC=CCF;ZSGRHMXMQDHEGS-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214447;MM214447;CCC=CCC=COC;SBHFCWPMYMDTRM-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214448;MM214448;COC=CCC=CCN;DBIBYMMQOYLXDV-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214449;MM214449;CCC=CCC=NNC;LCIKGDKECGZIMH-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214450;MM214450;CCC=CCC=NOC;XDUKOUVGSTUSPD-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214451;MM214451;N#CC1CC(CO)=NN1;XXTIKVMYBNLWSB-UHFFFAOYSA-N;125.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214452;MM214452;CON=CCC=CCF;DYCHVKJYYJNLSO-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214453;MM214453;CNN=CCC=COC;PHFCJBVBZXKQCD-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214454;MM214454;COC=CCC=NOC;AZHUQBXGJOJEKE-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214455;MM214455;CCN=CNC=CCN;ZURRNFDJEVDTOK-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214456;MM214456;CON=CNC=CCN;FQUJJMSDDZFZOC-UHFFFAOYSA-N;129.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214457;MM214457;C=CC1ON=C(NO)O1;MSVLDDDNMQRBQT-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214458;MM214458;C#CC1CC(CO)=NN1;GFKQMKHWQFABJL-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214459;MM214459;C#CC1ON=C(NO)O1;LWZNWLJYLMPJJD-UHFFFAOYSA-N;128.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214460;MM214460;CCN1CCC(CO)=N1;YBZAFANAUQCQKS-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214461;MM214461;NCC=COC=CCO;VKBQJFZRFFJPOC-UHFFFAOYSA-N;129.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214462;MM214462;OCC=COC=CCF;GXGJLVXQYXUWNT-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214463;MM214463;COC=COC=CCF;MHDLRQBLEJFVOL-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214464;MM214464;NN=C(CO)CC1CC1;AIWKKVVUWBJBDE-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214465;MM214465;NN=C(CO)CC1CO1;XYYSKGLHMVVXOS-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214466;MM214466;CCC=COC=NOC;DFUYWENPQPHVGL-UHFFFAOYSA-N;129.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214467;MM214467;CON=COC=CCF;PFSRXBSBLXXZDG-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214468;MM214468;C=CC=CCC=CCC;GTGXYNMFNSMARQ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214469;MM214469;CCC=CCC=CC=O;YUPOVSHIQPPPSA-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214470;MM214470;CCC=CCC=CC#N;YMUNIQVIKFLIMO-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214471;MM214471;C=CC=CCC=CCN;FRSZLTJJTJKOIU-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214472;MM214472;C=CC=CCC=CCO;GUKFHMABRUKJNE-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214473;MM214473;O=CC=CCC=CCO;SKGKODUDYBNFQB-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214474;MM214474;N#CC=CCC=CCO;HIRKJFCKSPJFJS-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214475;MM214475;C=CC=CCC=CCF;LHMQFAINZSBYFJ-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214476;MM214476;O=CC=CCC=CCF;KXRRTXAPDFUISU-UHFFFAOYSA-N;128.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214477;MM214477;N#CC=CCC=CCF;PYFJTPWQSKOQQT-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214478;MM214478;C=CC=CCC=COC;HVWJGSYBTCIITH-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214479;MM214479;C=NN=CCC=CCC;ZDTFNWKAKUMMKA-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214480;MM214480;C=NN=CCC=CCN;JDEONOYERNYGAM-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214481;MM214481;CCC(CO)=NN1CC1;GDGUDUMXTPDZNO-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214482;MM214482;C=NN=CCC=COC;MXRSQJUTTGQHSQ-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214483;MM214483;C=CC=CCC=NNC;NYIVCPPDZARSGC-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214484;MM214484;CNN=CCC=CC#N;LDDMCGFOUSMPIC-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214485;MM214485;C=CC=CCC=NOC;NFEDEXKWLLMRRY-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214486;MM214486;CON=CCC=CC=O;OTIPCKUNEFRDDF-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214487;MM214487;CON=CCC=CC#N;BKFJJUPVSBGVPW-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214488;MM214488;C=NN=CCC=NNC;STKSAAJQVPDEFY-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214489;MM214489;C=NN=CCC=NOC;HPELDXGGBXKEOA-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214490;MM214490;CCC=CN=CNC=N;JLNNJGMDBZLTAS-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214491;MM214491;C=CC(CO)=NN1CC1;UBMZHEHRGVBXOO-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214492;MM214492;NCC=CN=CNC=O;HZDAZXMHMLOTLX-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214493;MM214493;N=CNC=NC=CCF;YQDQXCPYPULCLI-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214494;MM214494;O=CNC=NC=CCF;UIFUVISPYNWVHK-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214495;MM214495;C=NN1CC1C(O)CC;ZVDKQZTZUKSNEX-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214496;MM214496;CC(C)(C)CC(CO)=NN;RDSWTRZAPOAEIL-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214497;MM214497;CCN=CNC=CC#N;FROHMGZJEWGJIQ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214498;MM214498;C=CC=CNC=NOC;RGLZCEQPVPQDOY-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214499;MM214499;CCN=CN=CNC=N;SXXMDBIJZRFGNL-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214500;MM214500;CC(O)C=NN=CN(C)O;UMKMPXZWGFPULH-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214501;MM214501;CON=CN=CNC=N;RMWAURIIXARJCG-UHFFFAOYSA-N;128.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214502;MM214502;CON=CN(O)C=C(C)F;XWGSQSYXRDCFHJ-UHFFFAOYSA-N;148.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214503;MM214503;CN1N=C(CO)CC1(C)C;RYYPVEWJFRNGSA-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214504;MM214504;CC(C)=NOC(=N)N(C)O;AMYYFQCITCGOIB-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214505;MM214505;CC(CO)=NNCC(N)=O;BMDZPOWLPHJWDZ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214506;MM214506;C#CCC(O)CN(N)C=O;MXLAYJWVVPEZCD-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214507;MM214507;C#CCC(O)CN(C)N=C;KLUBKANULYGGRY-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214508;MM214508;CCON=CN(O)C=CF;SKEOFQMTLHXQDT-UHFFFAOYSA-N;148.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214509;MM214509;C#CCN(O)C(C)=NN=C;RAXJUZGIXKWFOQ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214510;MM214510;CCC=NN=CNC=O;USDSWYADAPCSII-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214511;MM214511;COC(CO)C(=O)C(=N)N;HCOFVEBBJAPMOM-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214512;MM214512;CN(O)C(=N)ON=CC=O;DUHFRWRZVBDYIK-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214513;MM214513;C=CC=COC=CCC;ULSFWYUJZDTSJJ-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214514;MM214514;CCC=COC=CC#N;GLLMQHBAIHPZNY-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214515;MM214515;C=CC=COC=CCN;VABJOJNOIIJEJD-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214516;MM214516;C=CC=COC=CCF;LHMNHVWMBJIIIO-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214517;MM214517;N#CC=COC=CCF;HSWLNCHIHLIPJS-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214518;MM214518;C=CC=COC=COC;YEGQFVGCYTWGHA-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214519;MM214519;CC1(C)CC1C(CO)=NN;UTZQBWDKUVQUPN-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214520;MM214520;C=CC=COC=NOC;GKQMLXVMZRAZHE-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214521;MM214521;C=NN=CON=CCC;WBMNFGLQFJPZGZ-UHFFFAOYSA-N;127.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214522;MM214522;C#CC=CCC=CCC;VMAFJQJVLPYAJW-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214523;MM214523;C#CC=CCC=CCN;ANENTMNPIFFNIX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214524;MM214524;C#CC=CCC=CCF;LOPJUOUFZFQNOM-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214525;MM214525;C#CC=CCC=COC;JAUJRQNUXJRMFG-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214526;MM214526;C#CC=CCC=NNC;KKSPDVAXWBXGNB-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214527;MM214527;C#CC=CCC=NOC;SJCZJCBOWSUNKR-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214528;MM214528;C#CC=CNC=NOC;ROWAYCCYNFOBEX-UHFFFAOYSA-N;124.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214529;MM214529;COC(=N)NN=C(C)CO;ZBXHLUSZOFJRLM-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214530;MM214530;C#CC=COC=CCC;RCIBHKUUCSZUJT-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214531;MM214531;C#CC=COC=CCN;DRJOKZYNJDJBJL-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214532;MM214532;C#CC=COC=CCO;OMNMFPVYJLTDOU-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214533;MM214533;C#CC=COC=CCF;BLRTXLWOZHYEAA-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214534;MM214534;C#CC=COC=COC;JVPYYWACQZBBGQ-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214535;MM214535;C#CC=COC=NOC;SXDHSODKIKJBSU-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214536;MM214536;C=CC=CCC=CC=C;JSTCSJXCTOBJLN-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214537;MM214537;C=CC=CCC=CC=O;YDYVAKDDKSIVEA-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214538;MM214538;C=CC=CCC=CC#N;MTRZCJIJHITTRO-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214539;MM214539;O=CC=CCC=CC=O;RZBWSAKOJPINCS-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214540;MM214540;N#CC=CCC=CC=O;ZBIWLVUGHOBVGH-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214541;MM214541;C=CC=CCC=NN=C;DZBKWLPJTYPLAO-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214542;MM214542;C=NN=CCC=CC=O;BVULRUKAYIPHDW-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214543;MM214543;C=NN=CCC=CC#N;UGJWQYFVXGTIKB-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214544;MM214544;N#CC=CNC=CC#N;IXELLSSQNFTNJK-UHFFFAOYSA-N;119.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214545;MM214545;C=CC=CN=CNC=N;QLIZKCVGWHGTME-UHFFFAOYSA-N;123.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214546;MM214546;C=CC=CN=CNC=O;LGJGFRKHSMDRHC-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214547;MM214547;N#CC=CN=CNC=N;XOBRDYNYRLSCHV-UHFFFAOYSA-N;122.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214548;MM214548;O=CC=CN=CNC=O;WZWVKOMCONAVFC-UHFFFAOYSA-N;126.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214549;MM214549;CC(CO)=NNC(=N)C#N;DMOIBCXTYNEJDZ-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214550;MM214550;C#CC(=N)NN=C(C)CO;XQZBFCUCIKHWBH-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214551;MM214551;CCC1(C)CC(CO)=NN1;USGJCPMWWPSODM-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214552;MM214552;CCC1(C)ON=C(NO)O1;WBFMXOQCGUPEMM-UHFFFAOYSA-N;146.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214553;MM214553;N#CC=NNC=CC=O;OAKXBWAQIOPKAV-UHFFFAOYSA-N;123.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214554;MM214554;C=CC=NN=CNC=O;BKRKVWXUNLBQSC-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214555;MM214555;C=CC=COC=CC=C;CKVZUYJYEQLLRP-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214556;MM214556;C=CC=COC=CC=O;IENOGORZCMJICS-UHFFFAOYSA-N;124.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214557;MM214557;C=CC=COC=CC#N;IKZXPGXXDYWTIX-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214558;MM214558;O=CC=COC=CC=O;RBAUDXPPHGLQEW-UHFFFAOYSA-N;126.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214559;MM214559;N#CC=COC=CC=O;MSKOWGJANSAUBC-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214560;MM214560;C=CC=COC=NN=C;BNLWBRMFXDDGFD-UHFFFAOYSA-N;124.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214561;MM214561;C=CC=NOC=NN=C;AXBWRLDDYBTGPF-UHFFFAOYSA-N;125.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214562;MM214562;C=NN=CON=CC=O;PVKKMOMCMJLUHW-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214563;MM214563;C#CC=CCC=CC=C;PFCMDUAUSUEYDE-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214564;MM214564;C#CC=CCC=CC=O;JPKKAZPEOWJJHY-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214565;MM214565;C#CC=CCC=CC#N;LKNRGTKYQFCPPI-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214566;MM214566;C#CC=CCC=NN=C;LEZUPUAKLSBLRA-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214567;MM214567;C#CC=CN=CNC=O;RYDKFZSXXVMTBX-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214568;MM214568;C=CC1(C)CC(CO)=NN1;KNTLJFOTGFRZQH-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214569;MM214569;C#CC=COC=CC=C;IOJULVSAKZKFEG-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214570;MM214570;C#CC=COC=CC=O;NQDDAMSSHGVENO-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214571;MM214571;C#CC=COC=CC#N;CZGKQERDCAZVRX-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214572;MM214572;C#CC=COC=NN=C;QASQRMKQGQELMT-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214573;MM214573;C#CC=CCC=CC#C;HGLUKCPELTTYKC-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214574;MM214574;C#CC=COC=CC#C;LLLVWQVANYIXGV-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214575;MM214575;CCC#CCC=CCC;MQWHXXLVRANBAX-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214576;MM214576;CCC=CCC#CCN;RZUWCYCOJVRWIB-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214577;MM214577;CCC=CCC#CCO;RVVAQBVGICRZSA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214578;MM214578;CCC=CCC#CCF;SMGOZEXVDKGDKG-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214579;MM214579;CCC#CCC=CCN;ISMHJHORPANDPT-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214580;MM214580;NCC=CCC#CCF;SHTCEWCOTBPHOW-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214581;MM214581;CCC#CCC=CCO;UCFJTCVJUTYQKZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214582;MM214582;CCC#CCC=CCF;BHTMZTPRETZIDY-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214583;MM214583;NCC#CCC=CCF;ALKUFTLZNXILEY-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214584;MM214584;FCC#CCC=CCF;KMGGXIJWEJQPAQ-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214585;MM214585;CCC#CCC=COC;LSOWGTZGFNACBK-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214586;MM214586;COC=CCC#CCN;LWAPNAIAKFEMPV-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214587;MM214587;COC=CCC#CCO;JRFPHMGVNSQTPL-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214588;MM214588;COC=CCC#CCF;SXIZHGMNLNOCRE-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214589;MM214589;CCC#CCC=NNC;SOEVJAVWVPPWEF-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214590;MM214590;CNN=CCC#CCF;CXAFJKJSAAKNGB-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214591;MM214591;CCC#CCC=NOC;FZZBRXSTTRDJEF-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214592;MM214592;CON=CCC#CCF;BOAWYXLAEUYDJB-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214593;MM214593;C=CC#CCC=CCC;OHSWHSGERIZWOQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214594;MM214594;CCC=CCC#CC=O;ZKKZKIHDLPOOTE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214595;MM214595;CCC=CCC#CC#N;HRFGZOQQUKZLJA-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214596;MM214596;C=CC#CCC=CCN;SVZQZHCVEJIGEM-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214597;MM214597;C=CC#CCC=CCO;YZNMNIRMEYGIBM-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214598;MM214598;N#CC#CCC=CCO;MSKKLEROGLFXSM-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214599;MM214599;C=CC#CCC=CCF;JSNRSTNIFIUWLQ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214600;MM214600;O=CC#CCC=CCF;HYDKHVHRTGJFDC-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214601;MM214601;N#CC#CCC=CCF;CWNFMDIFILASJM-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214602;MM214602;C=CC#CCC=COC;FBISDXGYFGOSEF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214603;MM214603;COC=CCC#CC=O;ZPXGPWPGGMTOHJ-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214604;MM214604;COC=CCC#CC#N;GFZPFNMIZLEJEA-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214605;MM214605;C=CC#CCC=NNC;IDVPOGTVENEHLF-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214606;MM214606;CNN=CCC#CC=O;HUFPZZGUUIKZJP-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214607;MM214607;CNN=CCC#CC#N;OSGCFPYMOXCJDE-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214608;MM214608;C=CC#CCC=NOC;VKUKTHHHGUAHCR-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214609;MM214609;CON=CCC#CC=O;SNBSXFBZDQECFV-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214610;MM214610;C#CC#CCC=CCC;HRYKLUBJJCIVBL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214611;MM214611;C#CC#CCC=CCN;IXMPCRVDQNSGJA-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214612;MM214612;C#CC#CCC=CCO;LJPQDBRCENWJMC-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214613;MM214613;C#CC#CCC=CCF;DZUPNWUYSVYWJE-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214614;MM214614;C#CC#CCC=COC;CIMBSHDTFXHMAX-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214615;MM214615;C#CC#CCC=NNC;CYKPMXRVBGZWSR-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214616;MM214616;C#CC#CCC=NOC;QSCCKIRMOLNPML-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214617;MM214617;C=CC=CCC#CCC;ZVOJDAVAHFLRJN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214618;MM214618;C=CC=CCC#CCN;MCLQDDSXRWBGPF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214619;MM214619;C=CC=CCC#CCO;LBZJCVICDDRDNS-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214620;MM214620;C=CC=CCC#CCF;YPUFKPDQQDQCNQ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214621;MM214621;CCC#CCC=CC=O;NPIHEWMYHDLYEJ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214622;MM214622;CCC#CCC=CC#N;ITPDZSDNBUIEPP-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214623;MM214623;O=CC=CCC#CCO;GDSVYCAFMZYBQP-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214624;MM214624;O=CC=CCC#CCF;JZYTZFHYYNGTEG-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214625;MM214625;N#CC=CCC#CCF;ONPVHZYPMYAQJU-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214626;MM214626;C=NN=CCC#CCC;ANUQLEZCLIIQSF-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214627;MM214627;C=NN=CCC#CCN;PVZXJCUCAWVKHW-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214628;MM214628;C=NN=CCC#CCO;VBAIACAJOGXKIY-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214629;MM214629;C=NN=CCC#CCF;JXEBTDUDLPLCFU-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214630;MM214630;C=CC#CCC=CC=C;PITBEJXJNZPPIU-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214631;MM214631;C=CC=CCC#CC=O;ZAVZFZRKJWIAEA-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214632;MM214632;C=CC=CCC#CC#N;NDQLVAOMGFLLAS-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214633;MM214633;C=CC#CCC=CC=O;JLDSWKRBKPGOTG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214634;MM214634;C=CC#CCC=CC#N;RHVBYLCSNJAZFY-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214635;MM214635;O=CC#CCC=CC=O;BGDWFQHVNHVJEK-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214636;MM214636;N#CC#CCC=CC=O;GKINLXBRUBQJED-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214637;MM214637;C=CC#CCC=NN=C;RCYNTMBKWBYAMS-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214638;MM214638;C=NN=CCC#CC=O;CQQGNDSBARGQIZ-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214639;MM214639;C=NN=CCC#CC#N;RWXUSBLVAOODQN-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214640;MM214640;C#CC#CCC=CC=C;XUCLANUEDYHRLL-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214641;MM214641;C#CC#CCC=CC=O;ANHVCFZMZYILRY-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214642;MM214642;C#CC#CCC=CC#N;SHUWJOCXSGPVKQ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214643;MM214643;C#CC#CCC=NN=C;DIXHCZQFZXVFIV-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214644;MM214644;C#CC=CCC#CCC;OHTWSVCYHUMWDK-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214645;MM214645;C#CC=CCC#CCN;VGIXRLTVVWGOJO-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214646;MM214646;C#CC=CCC#CCO;VSANDJVGEJJDPY-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214647;MM214647;C#CC=CCC#CCF;ISQQRGLVHCEYDP-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214648;MM214648;C#CC=CCC#CC=C;YMEZPILLTKVTLH-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214649;MM214649;C#CC=CCC#CC=O;ZHXSYYSFBCPNCR-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214650;MM214650;C#CC=CCC#CC#N;PEOFWPJEKCZMKN-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214651;MM214651;C#CC#CCC=CC#C;VBTVSWFQZOCBFH-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214652;MM214652;CCC#CCC#CCC;SMTYEWMZLCVMHZ-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214653;MM214653;CCC#CCC#CCN;FITSGVFUOKOSFZ-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214654;MM214654;CCC#CCC#CCO;TXUHNLOXWCWCHH-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214655;MM214655;CCC#CCC#CCF;CAZMVQCHQVCMON-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214656;MM214656;NCC#CCC#CCF;LLWVVCPJHBMNIN-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214657;MM214657;OCC#CCC#CCF;FFDMZMKZBPCGAU-UHFFFAOYSA-N;126.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214658;MM214658;FCC#CCC#CCF;KSQUTEDUNAIAKT-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214659;MM214659;C=CC#CCC#CCC;IUBLKJVYWIOBOR-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214660;MM214660;CCC#CCC#CC=O;PNTWGBXERRDFED-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214661;MM214661;CCC#CCC#CC#N;NFNQBVJLHVQEOG-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214662;MM214662;C=CC#CCC#CCN;WZFDUBZLKHCRGP-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214663;MM214663;C=CC#CCC#CCO;DECFABKLZOTWKN-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214664;MM214664;O=CC#CCC#CCO;WMHRZENJWLRKNR-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214665;MM214665;C=CC#CCC#CCF;DRSQLGAMCWZBHT-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214666;MM214666;O=CC#CCC#CCF;USDSGHFEPZQEOU-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214667;MM214667;N#CC#CCC#CCF;FOUPPKISQSICJY-UHFFFAOYSA-N;121.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214668;MM214668;C#CC#CCC#CCC;NUESPHBPUAUAEG-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214669;MM214669;C#CC#CCC#CCN;BUZDRJPJUAIACH-UHFFFAOYSA-N;117.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214670;MM214670;C#CC#CCC#CCO;IOTYTKQNUZAUPW-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214671;MM214671;C#CC#CCC#CCF;ILNOBNDKDSZZSL-UHFFFAOYSA-N;120.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214672;MM214672;C=CC#CCC#CC=C;GZDLOZBIHBXSAI-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214673;MM214673;C=CC#CCC#CC=O;WGYUOEVIMFNGTO-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214674;MM214674;C=CC#CCC#CC#N;NJNOMHVMOPGZAN-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214675;MM214675;O=CC#CCC#CC=O;OPEYPFRTBLHFFM-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214676;MM214676;C#CC#CCC#CC=C;ZXICCIIFEVEIOA-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214677;MM214677;C#CC#CCC#CC=O;ZSLWYAFNNLTYFJ-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214678;MM214678;C#CC#CCC#CC#N;KOBVRJOIEBBGMW-UHFFFAOYSA-N;113.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214679;MM214679;C#CC#CCC#CC#C;QEIIPMAKZNWZDL-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214680;MM214680;CCCC=CCCCC;KPADFPAILITQBG-UHFFFAOYSA-N;126.24;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214681;MM214681;CCCCC=CCCN;HSAPJOXDOORRLD-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214682;MM214682;CCCCC=CCCO;YDXQPTHHAPCTPP-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214683;MM214683;CCCCC=CCCF;NABYBAMOKZFWBG-UHFFFAOYSA-N;130.21;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214684;MM214684;CCCC=CCCCN;QOBYWXCMYWRLIM-UHFFFAOYSA-N;127.23;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214685;MM214685;NCCC=CCCCN;GZVIKXWCJWJPFM-UHFFFAOYSA-N;128.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214686;MM214686;NCCCC=CCCO;VBYZRVAYODWVMJ-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214687;MM214687;NCCCC=CCCF;DFAMYFCBTIRZRX-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214688;MM214688;NCCC=CCCCO;HLVWRQMXAWXWIE-UHFFFAOYSA-N;129.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214689;MM214689;NCCC=CCCCF;SQQSYNSTSZTEMT-UHFFFAOYSA-N;131.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214690;MM214690;OCCC=CCCCF;SLLONPRAYVULSD-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214691;MM214691;FCCC=CCCCF;VIIOACWNEZLIGH-UHFFFAOYSA-N;134.17;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214692;MM214692;CCCCC=CCNC;HQBOGMGYZULXEM-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214693;MM214693;CNCC=CCCCN;VJVCBNMLMXKUCB-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214694;MM214694;CNCC=CCCCF;RYOYTNGZBLFGHN-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214695;MM214695;CCCCC=CCOC;XMDULFKNCBVFNK-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214696;MM214696;COCC=CCCCN;YBZGQNWWKWCNQX-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214697;MM214697;CCCC=CCCNC;XIVYIEVQFLTGAN-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214698;MM214698;CNCCC=CCCN;OITAFDPKTZUJHG-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214699;MM214699;CNCCC=CCCF;RFAWPVVXVDJCBB-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214700;MM214700;CCCC=CCCOC;OCFSUZJEFVENME-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214701;MM214701;COCCC=CCCN;LAWJWBKAGYGKPB-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214702;MM214702;CNCC=CCCOC;UNZWHFFOWXEIAW-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214703;MM214703;CCCCC=COCC;QLKAZAWKFWEVLH-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214704;MM214704;CCOC=CCCCN;GTTLGQFYENOVIS-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214705;MM214705;CC1(C=O)CC(CO)=NN1;ISTSPQFCGVYFDZ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214706;MM214706;CCOC=CCCNC;CZFAGXZTPVDGSP-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214707;MM214707;CCCC=CCNCC;SLVQSIHRLSNMGO-UHFFFAOYSA-N;127.23;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214708;MM214708;CCNCC=CCCN;PJSXMEJPSIKLLO-UHFFFAOYSA-N;128.22;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214709;MM214709;CCNCC=CCCF;KRXWNJSYAOKBRO-UHFFFAOYSA-N;131.19;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214710;MM214710;CCNCC=CCNC;WYCJKBAEZOUWNU-UHFFFAOYSA-N;128.22;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214711;MM214711;CCNCC=CCOC;HHKWYQMAZWCDIX-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214712;MM214712;CCNCC=COCC;RCPSWPCDVMNOSA-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214713;MM214713;CCCC=CCOCC;NXWNVMCCCROGLM-UHFFFAOYSA-N;128.22;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214714;MM214714;CCOCC=CCCN;LRYGWAAAMJFAQY-UHFFFAOYSA-N;129.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214715;MM214715;CCOCC=CCNC;QKLNHZYVXIPMOV-UHFFFAOYSA-N;129.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214716;MM214716;CCCCC=NNCC;IDFVEYSVMVOHAW-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214717;MM214717;CCON=CCCCN;IYHPXDKSYHRPDM-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214718;MM214718;CC1(C#N)CC(CO)=NN1;AULUJFPBMDLQFZ-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214719;MM214719;CCON=CCCCF;LGDGLOQLCVOBIW-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214720;MM214720;CCON=CCCNC;YGZPEPPVVYQPRY-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214721;MM214721;CCON=CCCOC;DCAUWBCWXQSMQN-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214722;MM214722;CCNCC=NOCC;PLXZIUSAHISZEP-UHFFFAOYSA-N;130.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214723;MM214723;CCOCC=NOCC;BXEPPZODYJQNJK-UHFFFAOYSA-N;131.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214724;MM214724;CCCN=CNCCC;LHPRWKFRPRKCDF-UHFFFAOYSA-N;128.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214725;MM214725;NCCN=CNCCN;BHSMMEXDMXVGFH-UHFFFAOYSA-N;130.2;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214726;MM214726;NCCN=CNCCO;DLAIJKBSMGBMDQ-UHFFFAOYSA-N;131.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214727;MM214727;NCCN=CNCCF;LPJQNVSTDPDKLC-UHFFFAOYSA-N;133.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214728;MM214728;OCCN=CNCCO;DIHSXCDHMIQULE-UHFFFAOYSA-N;132.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214729;MM214729;CCNN=CNCCN;BJKFPHIRQXQRPZ-UHFFFAOYSA-N;130.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214730;MM214730;CCCC=COCCC;DMNFTXYVGIDOJM-UHFFFAOYSA-N;128.22;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214731;MM214731;CCCOC=CCCN;HAJKFWWSMQSDQA-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214732;MM214732;CCCOC=CCCF;QNUKRHMQWUNGRG-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214733;MM214733;CCCC=COCCN;SXBWZNUCWTZEKS-UHFFFAOYSA-N;129.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214734;MM214734;NCCC=COCCN;ARDYRKDLCNGVFM-UHFFFAOYSA-N;130.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214735;MM214735;NCCOC=CCCO;RKWYMVFMWNOVDR-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214736;MM214736;CCCC=COCCO;ZCOOWKHNQWSTCE-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214737;MM214737;NCCC=COCCO;QZAIHUZBSUGWNH-UHFFFAOYSA-N;131.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214738;MM214738;OCCC=COCCO;BWFDFQQYACGJJF-UHFFFAOYSA-N;132.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214739;MM214739;CCCC=COCCF;HQGOSWXGZYBASA-UHFFFAOYSA-N;132.18;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214740;MM214740;FCCC=COCCF;LXFYRKPCJVOSDT-UHFFFAOYSA-N;136.14;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214741;MM214741;CCCOC=CCNC;CYUJIYKYWDAYOF-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214742;MM214742;CNCC=COCCO;MSVAUUUXNXSIQX-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214743;MM214743;COCC=COCCF;QLOWNVQZRWUOOP-UHFFFAOYSA-N;134.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214744;MM214744;CCCC=COCOC;XEIALROCDONDNR-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214745;MM214745;COCOC=CCCN;QICBRLMJAIHLFD-UHFFFAOYSA-N;131.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214746;MM214746;COCOC=CCCF;TVONQERAJSUFRG-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214747;MM214747;CCCOC=COCC;FZUDBVTZRPOLPZ-UHFFFAOYSA-N;130.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214748;MM214748;CCOC=COCCF;QEQWVVFXHDQOPN-UHFFFAOYSA-N;134.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214749;MM214749;CCOC=COCOC;NJXZJVNYEUEZQP-UHFFFAOYSA-N;132.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214750;MM214750;C=CC1(C)ON=C(NO)O1;XVJDJLGVEVCMES-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214751;MM214751;CCCOC=NOCC;ZPHLLFZYYLEDDQ-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214752;MM214752;CCON=COCCF;XHRMUADUEVBCIJ-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214753;MM214753;CCCC=NNCCC;AIRUFVHYFDRGLU-UHFFFAOYSA-N;128.22;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214754;MM214754;NCCC=NNCCN;SZXNAZBEYZSOPB-UHFFFAOYSA-N;130.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214755;MM214755;NCCC=NNCCO;IWEZDUQMHCOTMU-UHFFFAOYSA-N;131.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214756;MM214756;NCCC=NNCCF;GCWXCSRKVBYJFA-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214757;MM214757;CC1(C=O)ON=C(NO)O1;KHHSSCXCQAHWGQ-UHFFFAOYSA-N;146.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214758;MM214758;CC1(C#N)ON=C(NO)O1;QJPMHJXOQZZMER-UHFFFAOYSA-N;143.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214759;MM214759;CCCC=NOCCC;ZUGKZFVPTBXXJX-UHFFFAOYSA-N;129.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214760;MM214760;CCCON=CCCN;LCFBCQAYWIXEAA-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214761;MM214761;CCCON=CCCF;CZBKSOVOVAGUFE-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214762;MM214762;CCCC=NOCCN;AIRGMZPAEZTFIZ-UHFFFAOYSA-N;130.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214763;MM214763;NCCC=NOCCN;NSULQHQYWUBAGA-UHFFFAOYSA-N;131.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214764;MM214764;NCCON=CCCO;PCQHPGYJLIYVMO-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214765;MM214765;CCCC=NOCCF;YJRQDEKYXWLOQG-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214766;MM214766;COCC=NOCCN;RYXHZMBTPSLTHA-UHFFFAOYSA-N;132.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214767;MM214767;CCCC=NOCOC;VUJQXUGYZBFFQH-UHFFFAOYSA-N;131.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214768;MM214768;COCON=CCCN;AJDDOQSRDIHWFI-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214769;MM214769;C#CC1(C)CC(CO)=NN1;FZBPGQIXTQIJOB-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214770;MM214770;CNCC=NOCOC;CKUGLRJVLRBOLP-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214771;MM214771;CCOC=NOCCN;PJNXQPGHAHKNLR-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214772;MM214772;C=CCC=CCCCC;ZHDCVEXTJJYIGZ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214773;MM214773;CCCCC=CCC=O;WDWAUVJQFVTKEW-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214774;MM214774;CCCCC=CCC#N;DNKKFPSVEAVFCX-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214775;MM214775;C=CCC=CCCCN;CPZIVQYOXWQELX-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214776;MM214776;C#CC1(C)ON=C(NO)O1;IKLBPRWKBCYSBE-UHFFFAOYSA-N;142.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214777;MM214777;NN=C(CO)CC1(F)CC1;XHNJBEGCGIJTFH-UHFFFAOYSA-N;146.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214778;MM214778;N#CC(C=O)NC(=N)NO;AYRICFMSACLNHJ-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214779;MM214779;O=CCC=CCCCF;PLTNBKBRLXLKRE-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214780;MM214780;N#CCC=CCCCF;OPMVPPPFKKRBHB-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214781;MM214781;CNCCC=CCC=O;NQNINZUSYTTWJD-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214782;MM214782;C=CCC=CCCOC;YEQXXYWMXUCMOW-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214783;MM214783;COCCC=CCC=O;MMNUYDFEWBDXPV-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214784;MM214784;COCCC=CCC#N;NYRULWLILUBCCN-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214785;MM214785;CCCCC=CNC=N;CJEVJGFDQGDAIW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214786;MM214786;CCCCC=CNC=O;YVQWKJSITGPXEW-UHFFFAOYSA-N;127.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214787;MM214787;N=CNC=CCCCO;MICYYONLFJIXIG-UHFFFAOYSA-N;128.18;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214788;MM214788;O=CNC=CCCCO;GRTZPPAPRCAIIY-UHFFFAOYSA-N;129.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214789;MM214789;N=CNC=CCCCF;ILAVEJZTYSYCOX-UHFFFAOYSA-N;130.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214790;MM214790;O=CNC=CCCCF;VXRLNRPVJOUESD-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214791;MM214791;CNCCC=CNC=N;BHUPHQXWEKJRJD-UHFFFAOYSA-N;127.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214792;MM214792;COCCC=CNC=O;HRQBVPUATZOLIE-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214793;MM214793;C=COC=CCCCC;BTDOLWCFPTUHQJ-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214794;MM214794;C=COC=CCCCN;WRPPLPQAAORZJE-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214795;MM214795;COC(C)CC(CO)=NN;HMDRNUUVELXUQJ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214796;MM214796;C#CC(F)CC(CO)=NN;UQFHONOVQGFGFS-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214797;MM214797;C=COC=CCCCF;RAWDDPQSFLSZCW-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214798;MM214798;O=COC=CCCCF;RBUKWMORSUSSPN-UHFFFAOYSA-N;132.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214799;MM214799;C=COC=CCCNC;REBXJNQHYRJTGO-UHFFFAOYSA-N;127.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214800;MM214800;C=COC=CCCOC;PMJWKYCBQTWFKP-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214801;MM214801;COCCC=COC=O;ROADQAIJLZIPBH-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214802;MM214802;C=CCC=CCNCC;FHYAIVSZZPLIBD-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214803;MM214803;CCNCC=CCC=O;OOWKEEZIHHMSAA-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214804;MM214804;CCNCC=CNC=O;YJIGHVSAQYNITB-UHFFFAOYSA-N;128.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214805;MM214805;C=COC=CCNCC;ANPOTYMRPAYLEG-UHFFFAOYSA-N;127.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214806;MM214806;C=CCC=CCOCC;WMXQTWSZHOUZPP-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214807;MM214807;CCOCC=CCC=O;QOFPHSANVZWUQH-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214808;MM214808;CCOCC=CCC#N;BEPLJDJWDZBIDU-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214809;MM214809;C=COC=CCOCC;BOXKRDIGRQGIIW-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214810;MM214810;CC(CO)=NN(C=N)C=N;VAEDLKXUPYNZEN-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214811;MM214811;N=CNN=CCCCN;PUJLJORLUAJJPI-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214812;MM214812;NCCCC=NNC=O;OPAOEHZFTDEIPL-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214813;MM214813;O=CNN=CCCCO;HROJVMOFHPXREE-UHFFFAOYSA-N;130.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214814;MM214814;COCCC=NNC=O;QDDUMCHSQMJUSA-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214815;MM214815;CCCCC=NOC=O;AJHOSWGMLHQQLJ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214816;MM214816;CCC(CO)=NN(C)C=N;IKDQTFVPWJJJPZ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214817;MM214817;CNCCC=NOC=O;PZNDZCJSACMTOC-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214818;MM214818;CCNCC=NNC=O;PHSRJZJQVYPRJR-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214819;MM214819;CCOCC=NOC=O;KPAQGQWSKCKKOD-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214820;MM214820;C=CCNC=NCCC;GIWYFDVSKPWCIF-UHFFFAOYSA-N;126.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214821;MM214821;CCCN=CNCC=O;IPUYBUMZKWNSRI-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214822;MM214822;C=CCNC=NCCN;IPYFQZOFTKRWKK-UHFFFAOYSA-N;127.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214823;MM214823;CCCN=CNNC=N;QCAIBBJFGHVRMV-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214824;MM214824;N=CNNC=NCCN;VARRWESQMWQIGD-UHFFFAOYSA-N;129.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214825;MM214825;N=CNNC=NCCO;MZVIPAWFPQDDHI-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214826;MM214826;N=CNNC=NCCF;KJXWNAFFHHBIHX-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214827;MM214827;C=CC(CO)=NN(C)C=N;OEHBCLCZPVSQKR-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214828;MM214828;O=CONC=NCCF;BHGHBEZEWQCGKK-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214829;MM214829;CCNN=CNNC=N;KTZWWYLPWIYHGZ-UHFFFAOYSA-N;129.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214830;MM214830;CC(C)CCC(CO)=NN;YQVAHVYXEZWNJS-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214831;MM214831;C=C(C)CCC(CO)=NN;GRWVHBWCZWNADR-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214832;MM214832;CCON=CNNC=N;MYKYYGTWKMZLKP-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214833;MM214833;NN=C(CO)CCC(N)=O;FABSFTRQHHBTOM-UHFFFAOYSA-N;145.16;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214834;MM214834;CN=C(NO)OCC(N)=O;QDAISFRTGZTJSV-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214835;MM214835;C=CCC=COCCC;HOHJNFDUYFRTIX-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214836;MM214836;CCCOC=CCC=O;TVNZDHPODABZHR-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214837;MM214837;CCCOC=CCC#N;HOVNVXPLLDMHFL-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214838;MM214838;C=CCC=COCCN;JKBPBAIGUNPPGS-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214839;MM214839;C=CCC=COCCO;AFCWXMKNAVDBMD-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214840;MM214840;N#CCC=COCCF;CWDYOBBBVFNWNE-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214841;MM214841;C=CCC=COCOC;USCSGUNAMYAXBU-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214842;MM214842;CCCOC=CNC=O;YMJMHZJITGVQBP-UHFFFAOYSA-N;129.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214843;MM214843;NCCOC=CNC=O;OJHORTUQXRWNBH-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214844;MM214844;N=CNC=COCCO;QUEHTFJOMMHECV-UHFFFAOYSA-N;130.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214845;MM214845;N=CNC=COCCF;MMVBFSRFHOBSLB-UHFFFAOYSA-N;132.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214846;MM214846;O=CNC=COCCF;SEADWMBRUAXNKJ-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214847;MM214847;CCCOC=COC=O;IKLQDHMPEVAMNN-UHFFFAOYSA-N;130.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214848;MM214848;C=COC=COCCN;KOJMEDUJWOUCDJ-UHFFFAOYSA-N;129.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214849;MM214849;C=COC=COCCF;RBPNHFHTXFEQPI-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214850;MM214850;CC(F)C=CC(CO)=NN;HHAWPQXFCXGZER-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214851;MM214851;O=CNN=COCCF;DLNAFKFPWFHOMS-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214852;MM214852;CCCOC=NOC=O;QYQFHJHRFXAGBK-UHFFFAOYSA-N;131.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214853;MM214853;NCCOC=NOC=O;PLWZAMYJZKWAOU-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214854;MM214854;C=C(F)C=CC(CO)=NN;IMFXIFGNOVJFRV-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214855;MM214855;C=CNC=NCCCN;LODFQKYONOJKOJ-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214856;MM214856;C=CNC=NCCCO;CUIRZFMNYPURHM-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214857;MM214857;C=CNC=NCCNC;KAJBOYNBLONAKJ-UHFFFAOYSA-N;127.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214858;MM214858;C=CCC=NNCCC;VZGGQEUDNKWZPN-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214859;MM214859;NC(C=O)=NC1(CO)CC1;VDSFFJLTQADINY-UHFFFAOYSA-N;142.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214860;MM214860;C=CC(O)C(C)C=NOC;SOTAQGNFDPGMIJ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214861;MM214861;N=C(NO)ON=CCCO;VLYHRNYVTZKNJA-UHFFFAOYSA-N;147.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214862;MM214862;C=CNC=NNCCO;OIUQCWVZAXADNN-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214863;MM214863;C=CNC=NNCCF;YOMLLIZCNZBRPL-UHFFFAOYSA-N;131.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214864;MM214864;CC(NCC#N)C1(O)CC1;ZBJVAWCZTMRZID-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214865;MM214865;C=NOC=NNCCN;KRFLHUNBCLKDOD-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214866;MM214866;CNN=C(CO)CCC=O;TVYRPSAVEWLXTD-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214867;MM214867;C=CCC=NOCCC;PFTGFMNPTPNXAY-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214868;MM214868;C=CCC=NOCCN;HPVIABYDCPTTQO-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214869;MM214869;CON=C(NO)NC=CF;VMIKBJGRPHHWGO-UHFFFAOYSA-N;149.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214870;MM214870;CCON=C(NO)OC=O;CKVJQWOXORXARL-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214871;MM214871;C=CCC=NOCCF;XDIZEMPYLVNTGU-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214872;MM214872;C=NN(C(=N)OC)C(N)=O;QJCPBHCYLKKBHM-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214873;MM214873;N=C(NO)C(=CF)C(N)=O;SHBSLNQWHJPSJQ-UHFFFAOYSA-N;147.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214874;MM214874;C=CNC=NOCCF;NYXWTEQWEDHROM-UHFFFAOYSA-N;132.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214875;MM214875;C=CNC=NOCOC;NDYZDECFEORVIK-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214876;MM214876;C=NN(CCC#N)C(N)=O;HKLIFISMXGMPDP-UHFFFAOYSA-N;140.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214877;MM214877;C=COC=NOCCF;HFZQSPAVFZVYQH-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214878;MM214878;O=COC=NOCCF;JBBBOWZEIWJMCC-UHFFFAOYSA-N;135.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214879;MM214879;C#CCC=CCCCC;YGZOULCHFVIQAW-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214880;MM214880;C#CCC=CCCCN;IKVZUOGPCHJDFW-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214881;MM214881;COn1nc(N)n(N)c1=O;TWQINRYAMQKVNU-UHFFFAOYSA-N;145.12;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214882;MM214882;C#CCC=CCCCF;IRMWNYRFLUFROP-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214883;MM214883;C#CCC=CCCNC;FYUUZEOPIWSSJT-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214884;MM214884;C#CCC=CCCOC;IKPCVWWRFFSLLS-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214885;MM214885;C#CCC=CCNCC;YIARGOAWPQWACO-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214886;MM214886;C#CCNC=NCCC;PLLFXGRAMQULDJ-UHFFFAOYSA-N;124.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214887;MM214887;C#CCNC=NCCO;ILTZRRPPAPEKDU-UHFFFAOYSA-N;126.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214888;MM214888;C#CCC=COCCC;VPKDWPLUCKRRKD-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214889;MM214889;C#CCC=COCCN;QAQQBJGRGFVKJM-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214890;MM214890;C#CCC=COCCO;RAMUBPLUCOCFPB-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214891;MM214891;C#CCC=COCOC;GHSQXOYPFMFGFM-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214892;MM214892;C#CCC=NNCCC;IMXOEWSNSAZOMU-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214893;MM214893;C#CCC=NNCCN;SUTUYARWQOTUGF-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214894;MM214894;CC1N2N=C(CO)CC12C;DXAKPWYGJRDTDW-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214895;MM214895;C#CCC=NOCCC;CUSCEOZBQLAUPF-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214896;MM214896;C#CCC=NOCCN;DWHYEPNSJWCSDL-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214897;MM214897;C#CCC=NOCCF;MALFHMMVDGVSJP-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214898;MM214898;C#CCC=NOCOC;IVXKUJKNYVKWCF-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214899;MM214899;C=CCCC=CCCC;AZRLPRUNACPLIV-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214900;MM214900;C=CCCC=CCCN;WRNOBJHGBWMKFH-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214901;MM214901;C=CCCC=CCCO;KDPNQUKYJYHMHN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214902;MM214902;C=CCCC=CCCF;BINZNOARJOSGMW-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214903;MM214903;CCCC=CCCC=O;ICPZCFJMCZRIPY-UHFFFAOYSA-N;126.2;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214904;MM214904;CCCC=CCCC#N;VITUUPSBMLBWTN-UHFFFAOYSA-N;123.2;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214905;MM214905;O=CCCC=CCCO;KKXYOVKBPRKHGG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214906;MM214906;N#CCCC=CCCO;BPTDYCRJRGWPBY-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214907;MM214907;O=CCCC=CCCF;CHIFBDCJSQBGRL-UHFFFAOYSA-N;130.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214908;MM214908;N#CCCC=CCCF;DUIFWYISFUTMSL-UHFFFAOYSA-N;127.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214909;MM214909;C=CCCC=CCNC;JYKDKXXYNFYZDF-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214910;MM214910;CNCC=CCCC=O;OJCUWVDUEVXBCC-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214911;MM214911;CNCC=CCCC#N;PISPOROEJTYGOZ-UHFFFAOYSA-N;124.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214912;MM214912;C=CCCC=CCOC;CYLWTKNFDLZTNV-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214913;MM214913;COCC=CCCC=O;ICFWIIRRUZAFMN-UHFFFAOYSA-N;128.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214914;MM214914;COCC=CCCC#N;NBVBBNOIXWVCJL-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214915;MM214915;CCOC=CCCC=O;GQOJGHSQEWKWIC-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214916;MM214916;CCOC=CCCC#N;YVWJGFMVPMIIPN-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214917;MM214917;CCCC=CCNC=N;XWSGDXUWHIPPAT-UHFFFAOYSA-N;126.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214918;MM214918;N=CNCC=CCCN;IXPGCIQPARCCJD-UHFFFAOYSA-N;127.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214919;MM214919;N=CNCC=CCCO;DAWVGJIYOILGLL-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214920;MM214920;CC1(C)C2CC(CO)=NN21;UEACIZAXBLOEGF-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214921;MM214921;CNCC=CCNC=N;CUHWLHLASMNNSY-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214922;MM214922;C=NNCC=CCCC;UXGQEDLKZHWTGC-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214923;MM214923;C=NNCC=CCCF;MXICFZCRVFZJAD-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214924;MM214924;C=NNCC=CCOC;ATJPDKQIRSLLPD-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214925;MM214925;OCC(CF)ON=CCF;WCYJQSAMLUMRSC-UHFFFAOYSA-N;153.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214926;MM214926;C=NNCC=COCC;FQWRKMMRDGMJFO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214927;MM214927;C=COCC=CCCC;CKAZBWXZVRVDAX-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214928;MM214928;C=COCC=CCCN;IWAKTRAWLGNHHQ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214929;MM214929;C=COCC=CCCO;OGLXRNZDKSAVQW-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214930;MM214930;C=COCC=CCCF;FIFHHQJUCJIPJO-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214931;MM214931;CCCC=CCOC=O;SLWYMCAVYPZTRN-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214932;MM214932;O=COCC=CCCF;YXZBTNIXPOGCCB-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214933;MM214933;C=COCC=CCNC;PZHNJEBOPGIBIX-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214934;MM214934;C=COCC=CCOC;YYOAWMXMVMSUIV-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214935;MM214935;COCC=CCOC=O;IUBDXHDZVXJLFW-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214936;MM214936;C=NOCC=CCCC;GPJKMYHZYYRERM-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214937;MM214937;C=NOCC=CCCN;OGGDUQMCSQSRNB-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214938;MM214938;CON=COC(C=O)CO;ALHONERBAQQPBQ-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214939;MM214939;C=NOCC=CCCF;HZEBIIGGRGPTCO-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214940;MM214940;C=NOCC=CCNC;WTWICASGOTXNOE-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214941;MM214941;C=NOCC=COCC;NBZMWVOTHQZKPM-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214942;MM214942;NN=C(CO)CCCCO;FJXOYIRDDAPCCQ-UHFFFAOYSA-N;146.19;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214943;MM214943;C=CCCC=NOCC;UCCLPDGJXVBXGV-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214944;MM214944;COCCCC(CO)=NN;BEJYUOZCPDNFOX-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214945;MM214945;CCON=CCCC#N;KMZHNSNOMSEYDS-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214946;MM214946;CCON=CCNC=N;CWVMYZAKHOESMK-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214947;MM214947;CCOCCC(CO)=NN;GPFSSRKSKZFWCY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214948;MM214948;C=COCC=NNCC;MZHLNYRCUCOCOG-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214949;MM214949;C=COCC=NOCC;UQVVOTLJULXPKW-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214950;MM214950;C=CCOC=CCCC;AMBXIFZQGDWPAY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214951;MM214951;C=CCOC=CCCN;SQGNPOXZVZLMDE-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214952;MM214952;C=CCOC=CCCO;QORMGEWVOBNUQT-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214953;MM214953;C=CCOC=CCCF;ZHNRLUIMZPNCOI-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214954;MM214954;CCCC=COCC=O;YKUVFICJYBOSSH-UHFFFAOYSA-N;128.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214955;MM214955;CCCC=COCC#N;RFKOJLDFZMBQSV-UHFFFAOYSA-N;125.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214956;MM214956;N#CCOC=CCCO;BKMPPOORHVACKN-UHFFFAOYSA-N;127.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214957;MM214957;O=CCOC=CCCF;OMBQQFYSSXHPCP-UHFFFAOYSA-N;132.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214958;MM214958;N#CCOC=CCCF;XHTOMJDRKKOEAI-UHFFFAOYSA-N;129.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214959;MM214959;C=CCOC=CCNC;FMXCHDRYGANWKW-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214960;MM214960;CNCC=COCC=O;SWCHCISPUCGQJN-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214961;MM214961;CNCC=COCC#N;JKQAKINGQZZBNE-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214962;MM214962;C=CCOC=CCOC;VOIHQGIYBUAUOB-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214963;MM214963;COCC=COCC=O;DBMXGPQIWLUUJX-UHFFFAOYSA-N;130.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214964;MM214964;C=CCOC=COCC;ROKMWIQCEVQCHH-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214965;MM214965;CCOC=COCC=O;HXAFBEMQTFLHPL-UHFFFAOYSA-N;130.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214966;MM214966;C=NNCCC(CO)=NN;ZHDSBFGFLDYQAP-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214967;MM214967;C=CCOC=NOCC;DXYWZMKYNNDQCK-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214968;MM214968;CCON=CONC=N;PVGRSOBQPVZVEB-UHFFFAOYSA-N;131.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214969;MM214969;NN=C(CO)CCOC=O;OWCWRMBKVPRRPY-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214970;MM214970;C=NOCCC(CO)=NN;ACWLLOHERDYYSN-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214971;MM214971;C=CCON=CCCC;ZADDAQKUBRQGCI-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214972;MM214972;C#CCCCC(CO)=NN;WDQDRDGOJHVARE-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214973;MM214973;NN=CNOC(=NN)NO;YZQIVTCORPGWNQ-UHFFFAOYSA-N;148.13;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214974;MM214974;CCCC=NOCC#N;WEXVKJBJGIYNLM-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214975;MM214975;COC(=NOCC=O)NO;PTYIQIIHJHFPCQ-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214976;MM214976;C=CCON=CCNC;UFGIHGVQMSDASE-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214977;MM214977;CNCC=NOCC=O;ZHZLMBYKRKBAJF-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214978;MM214978;CNCC=NOCC#N;MEIPVPNFUISHIS-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214979;MM214979;C=CCNN=C(C=C)CO;IRHYAKVIQFMWNY-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214980;MM214980;C=CCON=COCC;MBJXFBRNLKBUSO-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214981;MM214981;C=CCC=CCCC=C;NHVAMHLYTBKZPQ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214982;MM214982;C=CCCC=CCC=O;SBIVJRGXLNSFJI-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214983;MM214983;C=CCCC=CCC#N;BPUHCZVFYFMGSA-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214984;MM214984;C=CCC=CCCC=O;IUWNOJSDBXCPJV-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214985;MM214985;C=CCC=CCCC#N;GXGLHGRMIPRKAH-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214986;MM214986;O=CCC=CCCC=O;KXWXUBYANCBYKL-UHFFFAOYSA-N;126.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214987;MM214987;N#CCCC=CCC=O;ASOOIOMCEFOZJE-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214988;MM214988;N#CCC=CCCC=O;OZTXDGVQOXAGPG-UHFFFAOYSA-N;123.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214989;MM214989;C=CCCC=CNC=N;PLWCPMDBWPBGOL-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214990;MM214990;C=CCCC=CNC=O;WCKSJECYIJTQCZ-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214991;MM214991;N=CNC=CCCC=O;CAMXHIUDYAZBOZ-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214992;MM214992;O=CCCC=CNC=O;HHPDKWMOYOHNKT-UHFFFAOYSA-N;127.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214993;MM214993;C=CCCC=COC=C;XRMXMZXKOJDWDC-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214994;MM214994;C=COC=CCCC#N;HIYNPVGRPNJEPH-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214995;MM214995;O=CCCC=COC=O;DIZUOTLJUNQHFF-UHFFFAOYSA-N;128.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214996;MM214996;C=CCC=CCNC=N;YDFADFJYAKRDDY-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214997;MM214997;C=CCC=CCNN=C;ZOYZRFAJEKFQQB-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214998;MM214998;CC1CC1CC(CO)=NN;YWWKFEASSQQTMH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM214999;MM214999;O=CNC=CCNC=O;XGTSDUJPNKOPMR-UHFFFAOYSA-N;128.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215000;MM215000;C=COC=CCNC=N;RIGVOHPMJRBZOP-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215001;MM215001;NN=C(CO)CC1CC1F;QHEXWORTJKKCLH-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215002;MM215002;O=CNCC=COC=O;SKAGRNHKAZXKNK-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215003;MM215003;C=COC=CCNN=C;HJRZLTKSEJUWKB-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215004;MM215004;C=CCC=CCOC=C;GEPGRKXGNYAOSM-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215005;MM215005;O=CCC=CCOC=O;SBLYAXXPWDJSPG-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215006;MM215006;C=CCC=CCON=C;NTVMAOIUIDEGMV-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215007;MM215007;C=COCC=CNC=O;WXOFVWLTGNQYLO-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215008;MM215008;C=COC=CCOC=C;OKJHYXBTZAEVHV-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215009;MM215009;C=COC=CCOC=O;QKSDEAAQMPHLGF-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215010;MM215010;CC1OC1CC(CO)=NN;WLJITQDNINBAPK-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215011;MM215011;N=CNCC=NOC=O;WHUCLBYUKBMCHP-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215012;MM215012;C=COCC=NOC=O;UORNQDABBWVCCS-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215013;MM215013;C=NOCC=NOC=O;DPDMXRNZLYXRDC-UHFFFAOYSA-N;130.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215014;MM215014;C=CCN=CNCC=C;VMKNJMVVBWKVPK-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215015;MM215015;N=CNN=CNNC=N;KZZCJMFVBBRPLD-UHFFFAOYSA-N;128.14;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215016;MM215016;N=CNNC=NNC=O;AMBNMVRGGQEZOK-UHFFFAOYSA-N;129.12;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215017;MM215017;O=CNN=CNNC=O;GKWYBEVKZXHKHE-UHFFFAOYSA-N;130.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215018;MM215018;N=CNNC=NOC=O;HIHGSDSLEXUYDD-UHFFFAOYSA-N;130.11;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215019;MM215019;C=CCC=COCC=C;VIGNFBBPCAAVTO-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215020;MM215020;C=CCOC=CCC=O;BUOUBAPROODNFJ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215021;MM215021;C=CCOC=CCC#N;MOHNTVSSSWVYCE-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215022;MM215022;C=CCC=COCC#N;PYLOKXLKUKRLNV-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215023;MM215023;C=CCOC=CNC=N;IPURZZRMGCRMFJ-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215024;MM215024;C=CCOC=CNC=O;QCNYTTMIODWENC-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215025;MM215025;N=CNC=COCC=O;JHTPLDASOFNFBK-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215026;MM215026;C=CCOC=COC=C;PCJMUHWTNOOHAT-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215027;MM215027;C=CCOC=COC=O;YRRMVUACOOXPKW-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215028;MM215028;C=COC=COCC=O;QKYDZDXZALWRNK-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215029;MM215029;C=CCOC=NOC=O;POEMTJNQKUYCGQ-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215030;MM215030;CN1CC1CC(CO)=NN;YFSXYUYOPYZBRM-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215031;MM215031;C=CCCN=CNC=C;VTPXYVZXPCPRFT-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215032;MM215032;C=CCC=NNCC=C;JOOLWJBCXHDIKO-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215033;MM215033;C=CC(CO)=NN1CC1C;LDKWASRXXMSOIF-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215034;MM215034;CCCC1CC(CO)=NN1;ICCJWUHAIGSWGA-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215035;MM215035;C=CCC1CC(CO)=NN1;PMGFDWQGGMZDLS-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215036;MM215036;C=CCNN=CNC=C;KMFJLZUBCXNNBH-UHFFFAOYSA-N;125.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215037;MM215037;C=CN=CNNCC=O;SBZCFGUKXKDKSN-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215038;MM215038;C=CN=CNNCC#N;HSEBZQIMZFVUIJ-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215039;MM215039;C=CCC=NOCC=C;YTHRXSXUURFKFI-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215040;MM215040;N#CCC1CC(CO)=NN1;BBQMGEKZDYWSFV-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215041;MM215041;C#CCC1CC(CO)=NN1;NJDWZYHFMIQGAQ-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215042;MM215042;C=CCON=CON=C;CFKFUZLKIGFPDK-UHFFFAOYSA-N;128.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215043;MM215043;C#CCC=CCCC=C;PILDGHUQXKYGON-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215044;MM215044;C#CCC=CCCC=O;KCVNZIDDCVVKEG-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215045;MM215045;C#CCC=CCCC#N;HFKVNWPRSULESR-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215046;MM215046;C#CCC=CCNC=N;ZKJRXBZVPKFCCO-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215047;MM215047;C#CCC=CCNN=C;NFXFMYCGNBWRIU-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215048;MM215048;C#CCC=CCOC=C;ZCVVGTQAZASQKK-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215049;MM215049;C#CCNC=NCC=C;GATSEOITNRGQDB-UHFFFAOYSA-N;122.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215050;MM215050;C#CCN=CNNC=N;QPUPMHOJLQKGSH-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215051;MM215051;C#CCC=COCC=C;ITDKINCTRJLKLF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215052;MM215052;C#CCC=COCC=O;NHKCOQWJGALZSV-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215053;MM215053;C#CCC=COCC#N;OAYOKUCVCWTGIE-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215054;MM215054;C#CCC1ON=C(NO)O1;OUQKPUXIYMIUAS-UHFFFAOYSA-N;142.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215055;MM215055;CC=CC1CC(CO)=NN1;PACXKIHARGBVEK-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215056;MM215056;C#CCC=NOCC=C;UCMHZSLROHRBTR-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215057;MM215057;CC#CC1CC(CO)=NN1;HBHUHYBQVQGUKP-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215058;MM215058;C#CCCC=CCCC;WPKDQRKCCYIOFT-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215059;MM215059;C#CCCC=CCCN;HPFHJIOKTHRTDK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215060;MM215060;C#CCCC=CCCO;GSPIHILEVNAJTD-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215061;MM215061;C#CCCC=CCCF;OXPPWXFZXKAGER-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215062;MM215062;C#CCCC=CCNC;AKSCMRMEHGQECW-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215063;MM215063;C#CCCC=CCOC;RWDXVPITWSRPSC-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215064;MM215064;C#CCCC=NNCC;SINMWWKNPMTJKT-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215065;MM215065;C#CCCC=NOCC;QTLRYUGCTREAHH-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215066;MM215066;C#CCOC=CCCC;DXHQSFFRZPAPMC-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215067;MM215067;C#CCOC=CCCO;REZQIFXOPDTQFM-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215068;MM215068;C#CCOC=CCCF;HMIIZDVXYFTHJI-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215069;MM215069;C#CCOC=CCNC;ROQUQFNCKZWSMF-UHFFFAOYSA-N;125.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215070;MM215070;C#CCOC=CCOC;RDGIQNSBSJXUAV-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215071;MM215071;C#CCOC=COCC;FCSLGMZSGZRLEY-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215072;MM215072;C#CCNN=CCCC;NBQFIKYPNLVBCC-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215073;MM215073;CCCN1CCC(CO)=N1;WKEZMENJFDULEU-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215074;MM215074;C#CCON=CCCN;OHWRNLUKMQXHHP-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215075;MM215075;C#CCON=CCOC;UNTBVVHDMMJVDX-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215076;MM215076;C#CCON=COCC;GPYQYRDKSQWGQR-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215077;MM215077;C#CCCC=CCC=C;HKIGBHQGCWJCFG-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215078;MM215078;C#CCCC=CCC=O;VRLFLVIVSGTQJU-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215079;MM215079;C#CCCC=CCC#N;NTOKGYIODCBFCF-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215080;MM215080;C#CCCC=CNC=N;TXSXQKSHYOKJFB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215081;MM215081;C#CCCC=CNC=O;YAAYHPICGPETEL-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215082;MM215082;C#CCCC=COC=C;KLRCVKQZJRZEFA-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215083;MM215083;C#CCCC=COC=O;PVVQIDIBELPQDU-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215084;MM215084;C#CCCC=NOC=O;KIAXQOMKEQDFOY-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215085;MM215085;C#CCOC=CCC=C;YNYFOJUGNTYZPH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215086;MM215086;C#CCOC=CCC=O;ICQFUCNIELEKRC-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215087;MM215087;C#CCOC=COC=C;KREAEPGQEOWMKP-UHFFFAOYSA-N;124.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215088;MM215088;C=CCN1CCC(CO)=N1;JEARSCIVLSFUTL-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215089;MM215089;N#CCN1CCC(CO)=N1;FXMMVWYMHZIION-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215090;MM215090;C#CCN1CCC(CO)=N1;ZZXPPGFVEDUTJW-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215091;MM215091;C#CCNNC=NC=C;WLFZIBZPRUEMAJ-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215092;MM215092;C#CCON=CCC=C;YTIMZMZOVNBTME-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215093;MM215093;CCCc1cc(OC)n[nH]1;MOOMCDRBLFJGHD-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215094;MM215094;C#CCON=COC=C;WADGYVCLBULGBG-UHFFFAOYSA-N;125.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215095;MM215095;C#CCC=CCCC#C;GOQYQLOLSIQHEE-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215096;MM215096;C#CCC=COCC#C;CJLOZYRJPTUQGD-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215097;MM215097;CCN1N=C(CO)CC1C;BKGBTDCCTFAIGE-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215098;MM215098;C#CCC=NOCC#C;BYSOWTHUDXPFMZ-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215099;MM215099;CC=CC=CCCCC;HKEBYUNPANBGPL-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215100;MM215100;CCCCC=CC=CF;GTTQVJRGILYDAA-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215101;MM215101;CC=CC=CCCCN;CCOPNFONHMWNJM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215102;MM215102;NCCCC=CC=CF;IZQWFDBNFNKIEH-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215103;MM215103;C#Cc1[nH]c(N=N)cc1C;NTTQXXCKDAAVNJ-UHFFFAOYSA-N;133.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215104;MM215104;CC=CC=CCCCF;ACEPLJRYYKZRAM-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215105;MM215105;FC=CC=CCCCF;SEGNTOUEIWBRBG-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215106;MM215106;CCCCC=CC=NN;XNURVHYYAVIZAH-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215107;MM215107;CC1CC(C(CO)=NN)C1;KHLLDUOCSLMOGT-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215108;MM215108;NN=CC=CCCCF;WNXHJQIHTIKOJS-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215109;MM215109;ON=CC=CCCCF;BFQCUPZTWMZQRM-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215110;MM215110;CC=CC=CCCNC;YOEYVGOCKBGWNX-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215111;MM215111;CNCCC=CC=CF;NUTHRCUWUWAURJ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215112;MM215112;CC=CC=CCCOC;SNPJCPAZMGPAIA-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215113;MM215113;COCCC=CC=CF;IBVPYNAXYGNZHI-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215114;MM215114;CC=CC=CCNCC;LTXHAUMAVALUJO-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215115;MM215115;CCNCC=CC=CF;MKTGYHUEAITYJZ-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215116;MM215116;CCNCC=CC=NN;QRHIZCUPRPCNNV-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215117;MM215117;CCNCC=CC=NO;BNBCAXVPIODTDX-UHFFFAOYSA-N;128.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215118;MM215118;CC=CC=CCOCC;UNHPVHFNZXRVNU-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215119;MM215119;CCOCC=CC=CF;MZMHYKBTQWRLKK-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215120;MM215120;CCOCC=CC=NN;NRLUINFBRSSBDG-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215121;MM215121;CC=NN=CCCCC;CPOOZVKDQZNWDI-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215122;MM215122;CC=NN=CCCCN;OXGNLRZTYKRRAA-UHFFFAOYSA-N;127.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215123;MM215123;CC1C(=NN)C=NN1C=N;DAMYTYCIWGVFKO-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215124;MM215124;CC=NN=CCCCF;BNCMCQKFQMCIRQ-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215125;MM215125;CC=NN=CCCOC;NWJRUTFVABBAJW-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215126;MM215126;CC=NN=CCOCC;OSQYKSYERQXWJX-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215127;MM215127;CCCN=CC=CNN;KKKXZQCGHHSONB-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215128;MM215128;CCCN=CC=CNO;XPWHWCNAAXOJCU-UHFFFAOYSA-N;128.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215129;MM215129;NCCN=CC=CNO;DJXQJVPCARYDMB-UHFFFAOYSA-N;129.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215130;MM215130;OCCN=CC=CNO;FVWUMFOMKLRQIF-UHFFFAOYSA-N;130.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215131;MM215131;CN=CN=CNCCN;WRKUHZLMPGXTDD-UHFFFAOYSA-N;128.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215132;MM215132;NCCNC=NC=NO;KBHJPWQCIHRARP-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215133;MM215133;OCCNC=NC=NO;QIXHSUKGUDMQKR-UHFFFAOYSA-N;131.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215134;MM215134;C=C1C(C#N)=CN=C1CO;XQTGOUXXUJKBGE-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215135;MM215135;Cn1oc(N)c2ncnc1-2;LGCXASXRZMWJKJ-UHFFFAOYSA-N;138.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215136;MM215136;CCNNC=NC=NO;XANXGYCDFSFNNY-UHFFFAOYSA-N;130.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215137;MM215137;CC=NN1CC1C(O)CC;ZBCICYNRFSBQIK-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215138;MM215138;CC=CC=COCCC;SRZYMMZKMRIBMJ-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215139;MM215139;CCCOC=CC=CF;FJVXQMYQAYTLLF-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215140;MM215140;CC=CC=COCCN;TZLBQCKMFGHBSJ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215141;MM215141;CC=CC=COCCO;BZJFKKAWUQBLIW-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215142;MM215142;OCCOC=CC=CF;ZSBPLOSTBRLDHQ-UHFFFAOYSA-N;132.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215143;MM215143;CC=CC=COCCF;JGLXMLLYTFOXGE-UHFFFAOYSA-N;130.16;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215144;MM215144;FC=CC=COCCF;ZGEBOUWIOFSZPI-UHFFFAOYSA-N;134.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215145;MM215145;CCCOC=CC=NN;WCFWBNPQYNBDDH-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215146;MM215146;CCCOC=CC=NO;LLADSBIBGMLGEW-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215147;MM215147;CN=C1CCC(CO)=NN1;IEUJFKYYIOXBRB-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215148;MM215148;CC=CC=COCOC;VWARXCCHZLATFG-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215149;MM215149;COCOC=CC=CF;HSDFFUXSIKHLSR-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215150;MM215150;COCOC=CC=NN;KMBYNUGYCLZAMW-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215151;MM215151;CC=NN=COCCC;GMTUTKTVVFDCMF-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215152;MM215152;CC=NN=COCCF;LTHRUYKNCMTQRU-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215153;MM215153;CC=NN=COCOC;CVTLUAMLJOCEQQ-UHFFFAOYSA-N;130.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215154;MM215154;CC=CC=NNCCC;KXPAZFINOLYQKE-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215155;MM215155;NN=C1CCC(CO)=NN1;BPNRCFJLKULQQX-UHFFFAOYSA-N;142.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215156;MM215156;NCCNN=CC=NO;COHVDJCYCFISHC-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215157;MM215157;CC=CC=NOCCC;ICLLPMJKXNFBIS-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215158;MM215158;CC=CC=NOCCN;WTJLYZZMYRSFSH-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215159;MM215159;NN=C(CO)CCC1CC1;VQQOABFDEZZKRI-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215160;MM215160;NN=C(CO)CCN1CC1;PBBPOHFVLCEBLA-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215161;MM215161;NCCON=CC=NO;RAJBRQGCQGWZKS-UHFFFAOYSA-N;131.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215162;MM215162;NN=C(C=CC1CC1)CO;WMLPNYYREQLJSZ-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215163;MM215163;CNN=C(C)CO;DFRMUNTZPIUZHF-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215164;MM215164;C=CCCC=CC=CC;YLSQTWRFBWIBOT-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215165;MM215165;CC=CC=CCCC=O;FUIDWNGSIAABEJ-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215166;MM215166;CC=CC=CCCC#N;PAHKRTSKOBCGGA-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215167;MM215167;O=CCCC=CC=CF;HDFAHFBPUVELTL-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215168;MM215168;N#CCCC=CC=CF;FEBDJAGEDLVAOS-UHFFFAOYSA-N;125.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215169;MM215169;N#CCCC=CC=NO;DEQKQEIJBWZAOT-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215170;MM215170;CC=CC=CCNC=N;WZXFCFIPQHKSDY-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215171;MM215171;N=CNCC=CC=CF;UNFYBFJAWRPSOT-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215172;MM215172;N=CNCC=CC=NN;LMLMSNROQNCFGW-UHFFFAOYSA-N;126.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215173;MM215173;ONC1=NOCO1;SRAOQTVVWHTSAB-UHFFFAOYSA-N;104.07;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215174;MM215174;C=NNCC=CC=CC;NYJSKHYGKQVBBI-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215175;MM215175;C=COCC=CC=CC;DEEVWOSZHUCKQJ-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215176;MM215176;C=COCC=CC=CF;DKRUSVGLEAFPPI-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215177;MM215177;C=NOCC=CC=CC;ASLQVNKWSPCHIC-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215178;MM215178;C=NOCC=CC=CF;NWRYJMKFNNRJFK-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215179;MM215179;C=CCCC=NN=CC;WYYZBIUNGKPTSI-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215180;MM215180;NN=C1CN(N)C=N1;ZAIUTPFIBOLIIJ-UHFFFAOYSA-N;113.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215181;MM215181;CC=NN=CCCC#N;GNDNYEVVXXVYOT-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215182;MM215182;C=NNCC=NN=CC;CEBWGAIRRFJWAG-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215183;MM215183;C=COCC=NN=CC;QYQLDWZHRIEBIO-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215184;MM215184;CC1ON=C(NO)O1;AZTMJZVMEJAXPR-UHFFFAOYSA-N;118.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215185;MM215185;C=NOCC=NN=CC;QCRPQAXUUWNYTR-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215186;MM215186;N=C1C=CC(CO)=N1;VZLSSOLSSFVXQQ-UHFFFAOYSA-N;110.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215187;MM215187;CC(CO)=NN1CC1;KZFGAMZWMLMMPX-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215188;MM215188;N=CNNC=NC=NN;NDCACETXTZSGLV-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215189;MM215189;N=CNNC=NC=NO;HPNDFPAYPSVBIP-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215190;MM215190;Cn1c(N)cnc1O;YLNUTNZJPRHHTE-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215191;MM215191;CC(O)CON=CCO;ZWCAHICHECFQPA-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215192;MM215192;CC=NN=CNNC=N;KRKSMZBLBBJVHK-UHFFFAOYSA-N;127.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215193;MM215193;C#CCC(O)CNN=C;ZAGRNYXCADSPHC-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215194;MM215194;O=CONC=NC=NO;GESHTLIAFVGGMC-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215195;MM215195;C=CCNN=C(C)CO;VZWFLTWDZFNNMW-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215196;MM215196;C=CCOC=CC=CC;FXNQJXRCFLLQRV-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215197;MM215197;C=CCOC=CC=CF;NQBLOSSCNQNJKE-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215198;MM215198;CC=CC=COCC=O;SPOXYAPOZDCRNC-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215199;MM215199;CC=CC=COCC#N;BNXHIDYOEFEBCQ-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215200;MM215200;O=CCOC=CC=CF;ISRDNRBSJMPFGJ-UHFFFAOYSA-N;130.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215201;MM215201;N#CCOC=CC=CF;LNDLGWXYOGIZEJ-UHFFFAOYSA-N;127.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215202;MM215202;C=CCOC=CC=NN;SHQZJMCOIHLWDB-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215203;MM215203;C=CCOC=CC=NO;NXHFLHNNWWAODU-UHFFFAOYSA-N;127.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215204;MM215204;C=CCOC=NN=CC;KGDFNVNMKBURCG-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215205;MM215205;CC=NN=COCC=O;AERKCFLNCMDMKV-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215206;MM215206;C=CCNN=CC=CC;LQUFPCMDCMMNJQ-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215207;MM215207;C=CCNN=CC=CF;BFNRXVHEKORJSR-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215208;MM215208;N=C(C=O)N(O)CCO;KFXUHDHEWIRITN-UHFFFAOYSA-N;132.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215209;MM215209;C=NOC(=NCC)NO;GBDWCFWSMUXXPU-UHFFFAOYSA-N;131.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215210;MM215210;N=CC=CNNCC=O;WOYJHFGQIPODCT-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215211;MM215211;CC(CO)=NN1CC1C;ALAONXGKRCFTBY-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215212;MM215212;CC1=CC(CO)=NC1=N;IDOUDLSWCURMAB-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215213;MM215213;C=CCON=CC=CC;HUVOUUWDOOIZJN-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215214;MM215214;C=CCON=CC=CF;STGFLLVHYMZUIM-UHFFFAOYSA-N;129.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215215;MM215215;CC=CC=NOCC#N;DZLXLRIQQWXKNU-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215216;MM215216;N#CCON=CC=CF;BMZOKXLQZDQBEA-UHFFFAOYSA-N;128.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215217;MM215217;C#CCCC=CC=CC;XIGLXRFDQDZFED-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215218;MM215218;C#CCCC=CC=CF;NRIJDSVXYRBOLD-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215219;MM215219;C#CCCC=NN=CC;QWAFHBQZSJNKLM-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215220;MM215220;CCNc1ncn(N)n1;BFDBLWSDUULGFD-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215221;MM215221;C#CCOC=CC=CC;CWJMORAWEWKRMU-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215222;MM215222;C#CCOC=CC=CF;LCYCYGUJTQSFHZ-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215223;MM215223;C#CCOC=CC=NN;QRSVEZBKHNOFHX-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215224;MM215224;C#CCOC=NN=CC;AJELVFQVXZSDNN-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215225;MM215225;C#CCNN=CC=CC;JLADDFFMSQEQLQ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215226;MM215226;COC(=NOC=O)NO;MBXFPIUTHLCLOC-UHFFFAOYSA-N;134.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215227;MM215227;C#CCON=CC=CC;SGQUCRLOAMEKOV-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215228;MM215228;C#CCON=CC=CF;MVYCQFLQILWGLQ-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215229;MM215229;CC#CC=CCCCC;AIDMRHRNBMILQM-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215230;MM215230;CC#CC=CCCCN;VCMJETUJEAUXKV-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215231;MM215231;CCC1ON=C(NO)O1;ORAIDZVOWBXGKP-UHFFFAOYSA-N;132.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215232;MM215232;CC#CC=CCCCF;JALRVNRDBAXGNB-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215233;MM215233;CC#CC=CCCOC;QSKQVBKXDMGYJO-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215234;MM215234;CC#CC=CCNCC;KQNQJVZCUANRHF-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215235;MM215235;CC#CC=CCOCC;XBUDZLSOPIUJTP-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215236;MM215236;CC#CC=COCCC;LUGXRJXFWGHDEL-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215237;MM215237;CC#CC=COCCN;YDRKEFOGSMATFE-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215238;MM215238;CC#CC=COCCO;OLSBZTRNMRVCCD-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215239;MM215239;CC#CC=COCCF;GBLMMSSSMXZJII-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215240;MM215240;CC#CC=COCOC;GLKWPXIAESWLDD-UHFFFAOYSA-N;126.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215241;MM215241;CC#CC=NNCCC;YQYAEGQXRKMSTH-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215242;MM215242;CNn1cc(CO)cn1;KDGVWBOTNOQJOG-UHFFFAOYSA-N;127.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215243;MM215243;CC#CC=NOCCC;NTGBXAQNFNRJNF-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215244;MM215244;CC#CC=NOCCF;UPSMGRMSZCYAAM-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215245;MM215245;CC#CC=NOCOC;NLAWVFYLZBTKSM-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215246;MM215246;C=CCCC=CC#CC;QGPZCQNTTIMXIM-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215247;MM215247;CC#CC=CCCC=O;MEDQGLXWEOEFTH-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215248;MM215248;CC#CC=CCCC#N;WEPYCUCMXFFDPV-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215249;MM215249;CC#CC=CCNC=N;QLLUVRPOSXMWMQ-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215250;MM215250;CC#CC=CCNC=O;KDOIXBZOHHAJIY-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215251;MM215251;C=NNCC=CC#CC;QJMALDBXDMAUCW-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215252;MM215252;C=COCC=CC#CC;WCZCSDRRKXDTNA-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215253;MM215253;CC#CC=CCOC=O;HSEUEGOIFFRYCO-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215254;MM215254;C=NOCC=CC#CC;PLBUFQZPKBZCAL-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215255;MM215255;C=CCOC=CC#CC;RJZJWBAIFSIHDT-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215256;MM215256;CC#CC=COCC=O;WGEPTDSBUIUWMG-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215257;MM215257;CC#CC=COCC#N;IPMGIOBFAMCHLO-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215258;MM215258;C=CCNN=CC#CC;KTBBWVPJGPCHLN-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215259;MM215259;C=CCON=CC#CC;YFQFUUFXUYWTSE-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215260;MM215260;CN=C1C=CC(CO)=N1;FKZFPRPFHISSTA-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215261;MM215261;CC#CC=NOCC#N;RRYZGOIAFVOHRH-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215262;MM215262;C#CCCC=CC#CC;OKXAJHOVRBGBJC-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215263;MM215263;C#CCOC=CC#CC;OFBVGZSWRDAYCR-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215264;MM215264;C#CCON=CC#CC;FSULYFVWCFWVAG-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215265;MM215265;CC=CCC=CCCC;NMFOAHIHPAPYJJ-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215266;MM215266;CC=CCC=CCCN;GMPOFFDDYPICPM-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215267;MM215267;CC=CCC=CCCO;BNDAMTLLUULVLF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215268;MM215268;CC=CCC=CCCF;KGMAPGSBCAQADP-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215269;MM215269;CCCC=CCC=CF;HBRYWDOSZIZROX-UHFFFAOYSA-N;128.19;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215270;MM215270;NCCC=CCC=CF;UZEQFWMFVWQBFI-UHFFFAOYSA-N;129.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215271;MM215271;OCCC=CCC=CF;TXVAUDMHAJUUDN-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215272;MM215272;FC=CCC=CCCF;MJIIMHHGKDOBAS-UHFFFAOYSA-N;132.15;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215273;MM215273;CC=CCC=CCNC;FYUPYTHRTZNKKB-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215274;MM215274;CNCC=CCC=CF;XESCZBBZIJWRJO-UHFFFAOYSA-N;129.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215275;MM215275;CC=CCC=CCOC;SYNIVAODVLCCIY-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215276;MM215276;CCCC=CCC=NN;RMXHJOBVVNXKMO-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215277;MM215277;NN=CCC=CCCF;CIQFDYBQXVXYRN-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215278;MM215278;CCCC=CCC=NO;OAKIRGBPMCIGJX-UHFFFAOYSA-N;127.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215279;MM215279;ON=CCC=CCCF;HWGOVLVMPIGSHS-UHFFFAOYSA-N;131.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215280;MM215280;COCC=CCC=NN;XGUOUDIXUZTUPW-UHFFFAOYSA-N;128.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215281;MM215281;CC=CCC=COCC;JXXOFMDECGMOHY-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215282;MM215282;CCOC=CCC=CF;PPKCLKVNDWFCML-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215283;MM215283;CCOC=CCC=NN;XEEXKASMOHDMRL-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215284;MM215284;CCOC=CCC=NO;CVSVFBHNMXODML-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215285;MM215285;CC=CCC=NOCC;LIMHJLGHJGJRRE-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215286;MM215286;CCON=CCC=CF;PXUSFYGLAIYIKO-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215287;MM215287;CCON=CCC=NN;TZSGUUZDHRDOHA-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215288;MM215288;CCCC=CN=CNC;AZNMHFXWUGYPHU-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215289;MM215289;CN=CNC=CCCF;ITBDLMPMDKJIRU-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215290;MM215290;CCCC=CN=CNN;GCXFHRZKCJZWHY-UHFFFAOYSA-N;127.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215291;MM215291;NCCC=CN=CNO;AUIGPNLRRJERDD-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215292;MM215292;CNCC=CN=CNN;QDVWJRDKUATJIV-UHFFFAOYSA-N;128.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215293;MM215293;CNCC=CN=CNO;PSRIGSQWGIBOKC-UHFFFAOYSA-N;129.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215294;MM215294;CC=CNC=NCCC;BQXSHZLQCBXVPL-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215295;MM215295;CC=CN=CNCCF;MTASCZFOLLUKBE-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215296;MM215296;CCCN=CNC=CF;GDAZNIIWBYRZTI-UHFFFAOYSA-N;130.17;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215297;MM215297;NCCN=CNC=CF;ABKXLJLEZWSYSV-UHFFFAOYSA-N;131.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215298;MM215298;CCON=CNC=CF;OJXIKRCUNHQCNL-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215299;MM215299;CC=COC=CCCC;CDKFOMSDVNWIFU-UHFFFAOYSA-N;126.2;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215300;MM215300;CC=COC=CCCN;XHNLLSIBGLOTKI-UHFFFAOYSA-N;127.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215301;MM215301;CC=COC=CCCO;XNNPBAQOHKCVRI-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215302;MM215302;CC=COC=CCCF;ZASUUHZGMMZRBZ-UHFFFAOYSA-N;130.16;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215303;MM215303;NCCC=COC=CF;HKDLUSAJYXUTTI-UHFFFAOYSA-N;131.15;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215304;MM215304;CC=COC=CCNC;KHRJITLJIQYRPW-UHFFFAOYSA-N;127.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215305;MM215305;CNCC=COC=CF;SMXNGSFBXHNVKB-UHFFFAOYSA-N;131.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215306;MM215306;CC=COC=CCOC;HMACBQORHQDQIH-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215307;MM215307;COCC=COC=CF;DDNVWXOVCOAYPQ-UHFFFAOYSA-N;132.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215308;MM215308;CCc1cc(OC)n[nH]1;CXZLYUTWZCVUFA-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215309;MM215309;NCCC=COC=NO;UIOITLQCGABBBO-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215310;MM215310;OCCC=COC=NO;KINBVSRJZZVXPY-UHFFFAOYSA-N;131.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215311;MM215311;CC=COC=COCC;ZNYIGFFQJGCYJF-UHFFFAOYSA-N;128.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215312;MM215312;CCOC=COC=CF;ZYMXGLKVDZHBKH-UHFFFAOYSA-N;132.13;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215313;MM215313;CC(CO)=NNC1CC1;JXJSZEFJEIWRLF-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215314;MM215314;CC(CO)=NNC(C)(C)C;FSICRSVWUBAVGK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215315;MM215315;CCON=COC=CF;QFRPLCZCQHFAHN-UHFFFAOYSA-N;133.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215316;MM215316;CC(CO)=NN(C)C(C)C;ZPUXDRJXHJQRKA-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215317;MM215317;C#CCN(C)N=C(C)CO;PGZFWXKMRQSRTE-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215318;MM215318;CN=CNN=CCCN;YYIABXPEUPYGJN-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215319;MM215319;C=CC(F)=CN(O)C=NN;FFWUKMCYMXTORL-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215320;MM215320;N=C(C=O)N(O)CC(N)=O;LEPDTRAHGQNYPX-UHFFFAOYSA-N;145.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215321;MM215321;CC1NC(C)(C#N)CC1O;SLESKMJRQZKDSU-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215322;MM215322;NCCC=NN=CNO;RHMPAPQSBMJOMS-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215323;MM215323;NC(=O)OCON=CCO;MBBOZVIQACHXAP-UHFFFAOYSA-N;148.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215324;MM215324;NCCC=NOC=NO;PSVIKDPESYBBEW-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215325;MM215325;CNCC=NOC=NN;UEGPEYYQCJGJHW-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215326;MM215326;C=CCC=CCC=CC;NABXNTPHRFMODH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215327;MM215327;CC=CCC=CCC=O;JXWOTJZICSULTA-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215328;MM215328;C=CCC=CCC=CF;SPKYZATXKSIWMC-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215329;MM215329;O=CCC=CCC=CF;SAUXOZHGXYPEQR-UHFFFAOYSA-N;128.15;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215330;MM215330;C=CCC=CCC=NN;YAOFCOVFVBNKNG-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215331;MM215331;C=CCC=CCC=NO;XTSBACGFAYXCTH-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215332;MM215332;N#CCC=CCC=NO;CLVHHGVIVYZICZ-UHFFFAOYSA-N;124.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215333;MM215333;CC=CCC=CNC=N;YZXAXQYHUQFHOB-UHFFFAOYSA-N;124.19;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215334;MM215334;CC=CCC=CNC=O;HGEWTJZXMLSFJR-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215335;MM215335;CON=C(C)N(O)CCO;SJXNYLWPOKXYLD-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215336;MM215336;C=COC=CCC=CC;TWVHMGBNKUPDDJ-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215337;MM215337;CC=CCC=COC=O;GBPLCZXMBCIYSB-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215338;MM215338;C=COC=CCC=CF;ILPOEJLFEXWOCB-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215339;MM215339;O=COC=CCC=CF;BVPWOFVPKUKFIZ-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215340;MM215340;CC=CCC=NNC=O;NATNVDMIKZXZTN-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215341;MM215341;O=CNN=CCC=CF;PATRUMZSQSKAPO-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215342;MM215342;C#CCN(O)C(C)=NNC;OEIDEJDBJQQCFC-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215343;MM215343;O=CON=CCC=CF;GOLOAOSBUMMVBH-UHFFFAOYSA-N;131.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215344;MM215344;NN=CCC=NOC=O;XQKCRMHZYUWMKI-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215345;MM215345;C=CCC=CNC=NC;YRJYTPBPVOVGGR-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215346;MM215346;CN=CNC=CCC=O;SMBXUTMLXWIWNA-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215347;MM215347;CN(N=CCC#N)C(N)=O;OZCFNHJOABVURI-UHFFFAOYSA-N;140.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215348;MM215348;CC(=O)C(=N)N(O)CCO;KRZZTSLNIXIBSY-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215349;MM215349;N=CNC=CNC=NN;KCLWTRGJRCSPPZ-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215350;MM215350;N=CNC=CNC=NO;AZGYZEBMKRWUGL-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215351;MM215351;CN(O)C(=NC=N)OC=O;RRMPYQGVBYXTBA-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215352;MM215352;CNC(CO)(CF)C(F)F;QHIYGXQPXYFNLH-UHFFFAOYSA-N;157.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215353;MM215353;O=COC=CNC=NO;VFGRJYBZMCVVOU-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215354;MM215354;C=CCNC=NC=CC;DAVJKMUTMJFBOC-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215355;MM215355;CC=CN=CNCC=O;KSRHKGYLPJGVSB-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215356;MM215356;C=CCNC=NC=CF;JIWBDIHMAYEXAS-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215357;MM215357;CC=CN=CNNC=N;WUMYIUOBPNVWNX-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215358;MM215358;N=CNNC=NC=CF;JXDAXGCJBNZPEM-UHFFFAOYSA-N;130.13;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215359;MM215359;C=CCC=COC=CC;AGUONNMVCPHPSB-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215360;MM215360;CC=COC=CCC=O;KNYZJACWLCULOB-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215361;MM215361;CC=COC=CCC#N;ABGDSCPWEDNSPL-UHFFFAOYSA-N;123.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215362;MM215362;C=CCC=COC=CF;PBRQMYOIMDFOMH-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215363;MM215363;O=CCC=COC=CF;XBHMHBVFPJJREV-UHFFFAOYSA-N;130.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215364;MM215364;N#CCC=COC=CF;QQQYXVPCWRZDPS-UHFFFAOYSA-N;127.12;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215365;MM215365;CC(CO)=NNC(C)C=O;WYNLHGGPKXSPQQ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215366;MM215366;C=CCC=COC=NO;YHTYOGGDNSDWHO-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215367;MM215367;CC=COC=CNC=N;FDBRQYPPMSMYIQ-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215368;MM215368;CC=COC=CNC=O;ITBMZFXWNONDHI-UHFFFAOYSA-N;127.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215369;MM215369;N=CNC=COC=NN;WTWKLPHYZDASBA-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215370;MM215370;CC(CO)=NNC(C)C#N;PVRIUXARCGBARP-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215371;MM215371;N=CNC=COC=NO;QMQAEYHBHBDKOQ-UHFFFAOYSA-N;129.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215372;MM215372;O=CNC=COC=NO;BMEVKYWMZLLKDL-UHFFFAOYSA-N;130.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215373;MM215373;C=COC=COC=CC;RMYZHFKUKIMERR-UHFFFAOYSA-N;126.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215374;MM215374;CC=COC=COC=O;XRWHABWZJLMPDQ-UHFFFAOYSA-N;128.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215375;MM215375;C=COC=COC=CF;HFBQSPOCKTVZBP-UHFFFAOYSA-N;130.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215376;MM215376;O=COC=COC=CF;CNKRAHOJKXQAHC-UHFFFAOYSA-N;132.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215377;MM215377;C#CC(C)NN=C(C)CO;UFAVUVDCVKXKLV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215378;MM215378;O=CNN=COC=NO;ZMKWHFSUWOTSTH-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215379;MM215379;C=CNC=NCC=CC;FBLXAKGGQQESPB-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215380;MM215380;C=CNC=NCC=CF;GBUUTLMRULRQMZ-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215381;MM215381;C=CNC=NCC=NN;IPWFSACPAZOALS-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215382;MM215382;CC(CO)=NNC(=N)CF;PJGSKIFBGWBPQF-UHFFFAOYSA-N;147.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215383;MM215383;C=CC(O)CN(C=N)C=O;DAEZXFMJSUGEKD-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215384;MM215384;C=CN=CNNC=NC;PZEASMYHJDMBTN-UHFFFAOYSA-N;126.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215385;MM215385;COC(=NCC(N)=O)NO;HCNNWTIEYIBFEJ-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215386;MM215386;O=COC=NNC=NO;BQMFLDOIZSCKTP-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215387;MM215387;CNC(=O)N(N)C(=N)CF;XXPBVNNZRUJDST-UHFFFAOYSA-N;148.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215388;MM215388;C=NOC=NNC=NO;DVXBWRXEEKQNBR-UHFFFAOYSA-N;130.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215389;MM215389;O=CCC=NOC=NO;JKKWYMYQXOZJPJ-UHFFFAOYSA-N;130.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215390;MM215390;C#CCC=CCC=CC;YKGIMIRJSMYKDQ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215391;MM215391;C#CCC=CCC=NN;DCPVEUREMLGIFT-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215392;MM215392;C#CCC=CNC=NC;QTLNFBJTYBCFJL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215393;MM215393;C#CCNC=NC=CC;LSSWCTJOTPLTDL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215394;MM215394;C#CCC=COC=CC;BXCDLEGFHZUFJE-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215395;MM215395;C#CCC=COC=CF;RHTXYBAAMWTXDW-UHFFFAOYSA-N;126.13;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215396;MM215396;C=C(C(C)=NN)C(O)CC;NMRVNTDYKZGJML-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215397;MM215397;C#CCC=COC=NO;JANKFNJVSTXUAQ-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215398;MM215398;CC(CO)=NNCCCF;KERJRIFMPFQNRR-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215399;MM215399;CC(CO)=NNCCC=O;WICHCKVNEZLUIS-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215400;MM215400;C#CCC=NOC=NO;STSLJUCHBRWIJA-UHFFFAOYSA-N;126.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215401;MM215401;CC=CC=CCC=CC;VFCMLGHFSLNYHH-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215402;MM215402;CC=CCC=CC=CF;APSNDZPFQYRKMF-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215403;MM215403;C=NOC(CO)COCC;NSNBQTSGNWRTRJ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215404;MM215404;NN=CC=CCC=CF;CVGCKSWASGMOTC-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215405;MM215405;CC=CC=CCC=NN;SABZJJDLCDIKHS-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215406;MM215406;NN=CCC=CC=CF;KRKGBFPDTMZYLJ-UHFFFAOYSA-N;128.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215407;MM215407;CC=CC=CCC=NO;PDRBYLSJWTURFQ-UHFFFAOYSA-N;125.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215408;MM215408;ON=CCC=CC=CF;ROVMSHRZQWTIKI-UHFFFAOYSA-N;129.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215409;MM215409;CC=CCC=NN=CC;NQTFOQLKAAQLAT-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215410;MM215410;CC=NN=CCC=CF;ADTUWYDPHNCZEP-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215411;MM215411;CC=NN=CCC=NN;JIAXYFDVIZLRCQ-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215412;MM215412;CC=NN=CCC=NO;SGNXCSPDQMTCKH-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215413;MM215413;CN=CNC=CC=CF;UABZBYLWFOKAMU-UHFFFAOYSA-N;128.15;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215414;MM215414;CC=CC=CN=CNN;RTRFWIIHURLDLM-UHFFFAOYSA-N;125.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215415;MM215415;C=NOC(CO)CNC=O;BBKHCXXDGUJMJR-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215416;MM215416;CC=NOC(CO)COC;OOMGQKJFKPSBNC-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215417;MM215417;CC=CN=CNC=NC;CCXWLGLDWFOSSH-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215418;MM215418;CC=CNC=NC=NO;XUNWPIDIUBIGJP-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215419;MM215419;C=NN=C(NO)OCC=O;KLUHLOAXKDPFIS-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215420;MM215420;CC=NOC(=NCC)NO;DFNSVTVJUAMWJS-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215421;MM215421;NNC=NC=NC=NO;UVRPUYRUGNNRLS-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215422;MM215422;ON=CN=CNC=NO;IHUFIFZZLCNMIW-UHFFFAOYSA-N;130.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215423;MM215423;C=NOC(=NCCC)NO;UTCAZSCMXCHOJW-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215424;MM215424;C=CCN=C(NO)ON=C;YXZXORONTULGED-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215425;MM215425;N=CNN=C(NO)OC=O;MYJJUZOOOMNYBC-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215426;MM215426;CC=CC=COC=CC;BTCHAJIPSNUMGF-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215427;MM215427;CC=CC=COC=CF;GPXYEYUQJRTVCB-UHFFFAOYSA-N;128.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215428;MM215428;CC=COC=CC=NN;YSJKXXSRXXEANJ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215429;MM215429;CC=COC=CC=NO;MRLISXVZIAZKHW-UHFFFAOYSA-N;127.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215430;MM215430;NN=CC=COC=CF;IXYRTNATXBZSLV-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215431;MM215431;CN(O)C(=NN)OCCF;QLUOWMOVOZLEFC-UHFFFAOYSA-N;151.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215432;MM215432;COCOC(=NN)N(C)O;NTOMJJZKHUORNM-UHFFFAOYSA-N;149.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215433;MM215433;ON=CC=COC=NO;JVLAGNTVOYWWKF-UHFFFAOYSA-N;130.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215434;MM215434;CC=COC=NN=CC;YOEPBIKXXMQRQZ-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215435;MM215435;CC=NN=COC=CF;BFLCCOAMRNMAQI-UHFFFAOYSA-N;130.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215436;MM215436;C#CCOC(=NN)N(C)O;SDPLLQMXXVZYID-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215437;MM215437;CON=CC(C#N)C(C)O;CFEPLFIWYOPZTN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215438;MM215438;CN=C(NO)ON=CNN;WPIWRTOFBXETBN-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215439;MM215439;CN=C(C=O)N(O)CCO;WYTLZBJQXVUVOA-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215440;MM215440;C=CCC1C=CC(=NN)O1;POCQDAQBTLFSOT-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215441;MM215441;ON=CNN=CC=CF;AKWDDPBRECAASX-UHFFFAOYSA-N;131.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215442;MM215442;CCN=C1C=CC(CO)=N1;MXYHAPAFRBYNOP-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215443;MM215443;C=NN=C1C=NC(CO)=C1;WLLZUTAQZBGSBK-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215444;MM215444;NN=CC=NOC=NO;DYXGCKUNEYSGJE-UHFFFAOYSA-N;130.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215445;MM215445;CC#CC=CCC=CC;RDZNKMRFTAISPW-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215446;MM215446;CC#CC=CCC=CF;ZEUPAHKDHPXJLG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215447;MM215447;CC#CC=CCC=NN;PQNKVEMZRWFWRP-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215448;MM215448;CC#CC=CCC=NO;BCCNEPCGQBGYEX-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215449;MM215449;CC#CC=CNC=NC;YGMBJNOPULNQPQ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215450;MM215450;CC#CC=COC=CC;DLANXDWLMLAYEV-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215451;MM215451;N=CN=C1C=CC(CO)=N1;KRFFXCAINSLDPM-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215452;MM215452;CC#CC=COC=NO;ONEXBHOJJKGLMA-UHFFFAOYSA-N;125.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215453;MM215453;C=NN=C1C=CC(CO)=N1;XUNLFSKXQWAZHY-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215454;MM215454;C=CC1CN1N=C(C)CO;NUKOSVZJPYVQSV-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215455;MM215455;CC#CCC=CCCC;FLYBFYPRUQRQPJ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215456;MM215456;CC#CCC=CCCN;KVIZKGFMRJFDMU-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215457;MM215457;CC#CCC=CCCO;NZHZLVQAFXTDGI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215458;MM215458;CC#CCC=CCCF;HFLDFXMGEKNWBA-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215459;MM215459;CC#CCC=CCNC;GAGDMBPQKOQHNX-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215460;MM215460;CC#CCC=CCOC;NHHSHPPQLCUEDN-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215461;MM215461;CC#CCC=COCC;GWMSTQJAAIKNRQ-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215462;MM215462;CC#CCC=NNCC;CGJHVAOLOGGFNW-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215463;MM215463;CC#CCC=NOCC;DFIOGTBAFBPHCR-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215464;MM215464;C=CCC=CCC#CC;PJJFOMMQAGUBOE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215465;MM215465;CC#CCC=CCC=O;KCZLOHJEINCKHV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215466;MM215466;CC#CCC=CCC#N;HDSHNDININALDS-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215467;MM215467;CC#CCC=CNC=N;HMPNWIHFKMSONL-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215468;MM215468;CC#CCC=CNC=O;YQMBWZMWCYFROB-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215469;MM215469;C=COC=CCC#CC;GKPHVOLHVJZTQR-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215470;MM215470;CC#CCC=COC=O;KBRQKEKDFUMMFC-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215471;MM215471;CC#CCC=NNC=O;FCVXJOHIHWULHH-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215472;MM215472;CC#CCC=NOC=O;WYIYKZMJYMLODV-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215473;MM215473;C=CNC=NCC#CC;NTOQUSGEGKTBEQ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215474;MM215474;C#CCC=CCC#CC;WLWVQJPRXOQBAV-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215475;MM215475;CC#CCC=CC=CC;FSEVJSDFCGCMHR-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215476;MM215476;CC#CCC=CC=CF;OKRUYNKETFBXFP-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215477;MM215477;CC#CCC=CC=NN;QGEDONIUMOFRBN-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215478;MM215478;CC#CCC=CC=NO;QLVAOSMKLPOJFX-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215479;MM215479;CC#CCC=NN=CC;DTZFSVDQXGZLDQ-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215480;MM215480;CC#CC=CCC#CC;RVCMQXTUGVEDAS-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215481;MM215481;CCC=CC=CCCC;UAIFRPNEQVBFHH-UHFFFAOYSA-N;124.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215482;MM215482;CCC=CC=CCCN;UHIYQOGFLVPWCB-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215483;MM215483;CC(CO)=NN1CC1C#N;YFKJNZDCGUQURM-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215484;MM215484;CCCC=CC=CCN;ZWYVUXQKDLVZBA-UHFFFAOYSA-N;125.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215485;MM215485;NCC=CC=CCCF;DOJPFHLYWIPYQT-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215486;MM215486;CCCC=CC=CCO;LMBAOEUOOJDUBP-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215487;MM215487;NCCC=CC=CCO;OGOYRZYPYJUEFP-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215488;MM215488;OCC=CC=CCCO;MIOHFHBFLHREHG-UHFFFAOYSA-N;128.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215489;MM215489;OCC=CC=CCCF;OJOUAMNJRXCHDI-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215490;MM215490;CCCC=CC=CCF;FBXCSEILAQTISF-UHFFFAOYSA-N;128.19;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215491;MM215491;NCCC=CC=CCF;SJMLVFOZENNRKZ-UHFFFAOYSA-N;129.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215492;MM215492;FCC=CC=CCCF;PZYKSPYAYGPLFG-UHFFFAOYSA-N;132.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215493;MM215493;CCC=CC=CCNC;YWUKBCFCSHSLOW-UHFFFAOYSA-N;125.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215494;MM215494;CNCC=CC=CCN;COIMLORFSYPBSX-UHFFFAOYSA-N;126.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215495;MM215495;CCC=CC=CCOC;ZHGVCEFFFOLBON-UHFFFAOYSA-N;126.2;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215496;MM215496;COCC=CC=CCN;YKVXGGHBVSZYDQ-UHFFFAOYSA-N;127.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215497;MM215497;COCC=CC=CCO;LZSAIJNSIUHLLD-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215498;MM215498;COCC=CC=CCF;YDPXRXLPXFTMQG-UHFFFAOYSA-N;130.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215499;MM215499;CCCC=CC=COC;GTJQJDIEJLAHSU-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215500;MM215500;COC=CC=CCCN;UPTLXVVPMLZIID-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215501;MM215501;C#CC1CN1N=C(C)CO;PRYIMTVAQIIJML-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215502;MM215502;CCC=CC=COCC;KZRARLPWZLGLJG-UHFFFAOYSA-N;126.2;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215503;MM215503;CCOC=CC=CCN;PYYAXEQQXTWZIZ-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215504;MM215504;CCOC=CC=CCO;MNUOHUROLDUNJD-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215505;MM215505;CCOC=CC=COC;UMIOYLGGRJFHIM-UHFFFAOYSA-N;128.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215506;MM215506;CCCC=CC=NNC;RBJIJUKQFQLSJS-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215507;MM215507;CNN=CC=CCOC;WBNYLYAIOCGCTM-UHFFFAOYSA-N;128.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215508;MM215508;CCCC=CC=NOC;XSEMWKRYEJAAIU-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215509;MM215509;CON=CC=CCCF;AMADBHATRBFPFI-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215510;MM215510;COCC=CC=NOC;XCHMMVYWFUCFSY-UHFFFAOYSA-N;129.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215511;MM215511;CCN=CC=CNOC;FDZPZQDRCSQQKO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215512;MM215512;CCOC=CC=NNC;URLNCTMFHCEKLE-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215513;MM215513;CCOC=CC=NOC;LPRYLWCZKQYXHK-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215514;MM215514;CCC=CC=NNCC;MCBBWBPIAZQOJB-UHFFFAOYSA-N;126.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215515;MM215515;CCNN=CC=COC;JOYYPNSTWLSPET-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215516;MM215516;CCC=CC=NOCC;XUAHBMMVGHVRKV-UHFFFAOYSA-N;127.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215517;MM215517;CC1(N2CC2CO)CC1O;DYJJIZXQOXPISQ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215518;MM215518;CCON=CC=CCF;OIDFGFDALZJHFN-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215519;MM215519;CCON=CC=COC;GBPDETXNHYINOE-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215520;MM215520;CCC=NN=CCCC;BEFUCHPLZQKVQZ-UHFFFAOYSA-N;126.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215521;MM215521;CCCC=NN=CCO;JWFHQPWSZCQPDC-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215522;MM215522;C=CC12CC(O)C(=C)C1N2;CADGWOZTBWKECU-UHFFFAOYSA-N;137.18;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215523;MM215523;FCC=NN=CCCF;BQRAYBGERYGJGM-UHFFFAOYSA-N;134.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215524;MM215524;CCC=NN=CCOC;FPQVOSWZAREFDW-UHFFFAOYSA-N;128.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215525;MM215525;CCCC=NN=COC;VHTHKSPYZPHXIT-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215526;MM215526;COC=NN=CCCF;FHTOXGKWMWLBIJ-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215527;MM215527;CCC=NN=COCC;DQZKXIBUFCOPFR-UHFFFAOYSA-N;128.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215528;MM215528;CCOC=NN=CCN;JIRFHQIFLZGMIC-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215529;MM215529;CCOC=NN=CCF;MYBAKNFQCICWKW-UHFFFAOYSA-N;132.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215530;MM215530;C=CCC=CC=CCC;OQDVKHFJHIZPFL-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215531;MM215531;CCC=CC=CCC=O;JXIDLTMFZFVXNT-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215532;MM215532;CCC=CC=CCC#N;GHOMSJCGBLYTBR-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215533;MM215533;C=CCC=CC=CCN;VSVLJMRERALUOO-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215534;MM215534;C=CCC=CC=CCO;IUEOXXQSVLXHGE-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215535;MM215535;O=CCC=CC=CCO;LALJAWDFTDLJRO-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215536;MM215536;N#CCC=CC=CCO;ASURPRYOUFKENK-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215537;MM215537;C=CCC=CC=CCF;HTVCHIJQHXCJJF-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215538;MM215538;N#CCC=CC=CCF;SDBOGNVBIWESHR-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215539;MM215539;C=CCC=CC=COC;UOUMMSBOKBJHSL-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215540;MM215540;COC=CC=CCC=O;RQBWZIVDHXISOJ-UHFFFAOYSA-N;126.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215541;MM215541;COC=CC=CCC#N;IUINKHZMJMQYLK-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215542;MM215542;CCC=CC=CNC=O;KTPPKSNECGFAML-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215543;MM215543;N=CNC=CC=CCF;PMYSISYNXJCMHL-UHFFFAOYSA-N;128.15;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215544;MM215544;O=CNC=CC=CCF;MOPWWZKQTAPDKH-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215545;MM215545;COC=CC=CNC=N;PAJUPKVPYVANPC-UHFFFAOYSA-N;126.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215546;MM215546;COC=CC=CNC=O;AWTIUCKNPRUMAZ-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215547;MM215547;C=COC=CC=CCC;RVABXIONVMTNQF-UHFFFAOYSA-N;124.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215548;MM215548;CCC=CC=COC=O;KXHBZKHTKZRTHU-UHFFFAOYSA-N;126.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215549;MM215549;C=COC=CC=CCN;AFFRWMBJHKHVND-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215550;MM215550;C=COC=CC=CCO;LEJLAIIPPSYACE-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215551;MM215551;C=COC=CC=CCF;NEXQTIYHEHUWST-UHFFFAOYSA-N;128.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215552;MM215552;C=COC=CC=COC;NWVSTXNTNZLSNZ-UHFFFAOYSA-N;126.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215553;MM215553;COC=CC=COC=O;ONEMMPGHGHWHEQ-UHFFFAOYSA-N;128.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215554;MM215554;C=CCC=CC=NNC;PERJMZWNRLAVLU-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215555;MM215555;Cc1c(NN)n[nH]c1CO;MRCTXNIMIBFTGZ-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215556;MM215556;C=CCC=CC=NOC;YZNWJLFHTJSBJT-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215557;MM215557;C=COC=CC=NNC;NTHSDAXZKMCNNP-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215558;MM215558;C=COC=CC=NOC;XDNJPJGHZFSZQN-UHFFFAOYSA-N;127.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215559;MM215559;ONC1=NOC(CF)CO1;YXRBYIGPPOCQFC-UHFFFAOYSA-N;150.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215560;MM215560;O=CNN=CC=CCF;KEGFAALZSRBJIY-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215561;MM215561;CN=CC=CNNC=N;NQFHOSWNOBFRSR-UHFFFAOYSA-N;126.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215562;MM215562;CCC=CC=NOC=O;GRMAHOFXJVHMQX-UHFFFAOYSA-N;127.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215563;MM215563;NCC=CC=NOC=O;UMOVXMVXOWSXNB-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215564;MM215564;O=CON=CC=CCF;NUFVIXOBLPDASZ-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215565;MM215565;COC=CC=NOC=O;ZBRVQOJJSBMWJY-UHFFFAOYSA-N;129.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215566;MM215566;CN=NC=CNNC=O;BMCUDIMWZHWEGG-UHFFFAOYSA-N;128.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215567;MM215567;C=CCC=NN=CCC;OYZSVPKMAYHWSE-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215568;MM215568;CCC=NN=CCC#N;ANBPPHATSTWPBH-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215569;MM215569;O=CCC=NN=CCO;WJUFJFBIDMGUBE-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215570;MM215570;ONC1=NCC(CF)=NO1;IRTCHILPRYNMRX-UHFFFAOYSA-N;147.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215571;MM215571;COC=NN=CCC=O;VCMCPHPPEWFDCO-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215572;MM215572;CN=CN(O)CC#N;SKQPTNULANELKH-UHFFFAOYSA-N;113.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215573;MM215573;C=COC=NN=CCC;XLINQXZQJAIVQZ-UHFFFAOYSA-N;126.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215574;MM215574;C=COC=NN=CCF;OGWKORNYLZUSCO-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215575;MM215575;O=COC=NN=CCF;VBYUZORGCVWZOZ-UHFFFAOYSA-N;132.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215576;MM215576;CN(O)C(=N)OC=O;LOXROMKTLQSPSW-UHFFFAOYSA-N;118.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215577;MM215577;C#CCC=CC=CCC;FQRYSHKTZVOZPD-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215578;MM215578;C#CCC=CC=CCN;QTLVCPDMWXFQNS-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215579;MM215579;C#CCC=CC=CCO;MMUVAKQAFXJBII-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215580;MM215580;C#CCC=CC=CCF;ALISXEJBZVXALD-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215581;MM215581;C#CCC=CC=COC;YRURYBWFXONSKC-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215582;MM215582;C#CCC=CC=NNC;ATPKNVSLVWXBEI-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215583;MM215583;C#CCC=CC=NOC;PFRBMMGJYRAEHV-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215584;MM215584;C#CCC=NN=CCC;FVIRYYIBFFNJKB-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215585;MM215585;C#CCC=NN=COC;NUSISRAVBVEPEZ-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215586;MM215586;C=CC=CC=CCCC;HJDZTDLMEBIHJJ-UHFFFAOYSA-N;122.21;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215587;MM215587;C=CC=CC=CCCN;WSXSMGCJERCQCH-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215588;MM215588;CNC(=O)N(N)C=O;YBOYZHMSJLKZNZ-UHFFFAOYSA-N;117.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215589;MM215589;C=CC=CC=CCCF;PTRHYADTLKOUOY-UHFFFAOYSA-N;126.17;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215590;MM215590;CCCC=CC=CC=O;DVVATNQISMINCX-UHFFFAOYSA-N;124.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215591;MM215591;CCCC=CC=CC#N;LINGTGQSKSNUOB-UHFFFAOYSA-N;121.18;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215592;MM215592;Nn1cc(CO)cn1;QWVUXVNTLFGGPT-UHFFFAOYSA-N;113.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215593;MM215593;NN=COC1CC1O;QJUAWOCHFSIPJQ-UHFFFAOYSA-N;116.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215594;MM215594;N#CC=CC=CCCF;KFJATLFAXJRDRE-UHFFFAOYSA-N;125.15;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215595;MM215595;C=CC=CC=CCNC;GVPDRYDQLIAEAL-UHFFFAOYSA-N;123.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215596;MM215596;CNCC=CC=CC=O;QUSJRZMYAYAPTP-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215597;MM215597;CNCC=CC=CC#N;ODOBXKWHGVEPKQ-UHFFFAOYSA-N;122.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215598;MM215598;C=CC=CC=CCOC;WIBRFFIKJRJYGZ-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215599;MM215599;COCC=CC=CC=O;LBDRLSVFJDANAX-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215600;MM215600;COCC=CC=CC#N;FTXZVXQPNLCNOY-UHFFFAOYSA-N;123.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215601;MM215601;CCOC=CC=CC#N;AGSDCKCOKQDNJP-UHFFFAOYSA-N;123.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215602;MM215602;C=NN=CC=CCCC;KCMDNOYWEMXLQI-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215603;MM215603;CC=NOCC(C)(C)O;HNGBGGSUOOPJIH-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215604;MM215604;C=NN=CC=CCCF;ZQQZYJJCUSFUEW-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215605;MM215605;C=NN=CC=CCOC;SDGAEWNKQWFDOP-UHFFFAOYSA-N;126.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215606;MM215606;C=NNC=CC=NCC;MANAHNNVKAGZLO-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215607;MM215607;C=NN=CC=COCC;VUDFSAUDOLHICM-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215608;MM215608;C=CC=CC=NNCC;WORKWOYXEQRJIT-UHFFFAOYSA-N;124.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215609;MM215609;CCNN=CC=CC=O;KUTIBEZAVFBWMR-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215610;MM215610;CCNN=CC=CC#N;UVWIIANHOKSDRI-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215611;MM215611;C=CC=CC=NOCC;UZNRHGCHTFJSGA-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215612;MM215612;CCON=CC=CC=O;ZNNOMTAMLUOLMB-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215613;MM215613;CCON=CC=CC#N;NOALBEIWUUQEFC-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215614;MM215614;CC(F)=CN(O)C=NN;JNQSVPUCKLCGQX-UHFFFAOYSA-N;133.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215615;MM215615;C=NN=CC=NOCC;RIGXKKOLNZZLBW-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215616;MM215616;C=CC=NN=CCCC;GVTZBUBQKAPRTA-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215617;MM215617;CC1(O)C=CC(=NN)C1;YNRUNZLLUCKQRZ-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215618;MM215618;CCCC=NN=CC=O;NZTCAAAOZOCXOF-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215619;MM215619;CCCC=NN=CC#N;KUMLUIOUTBOCJY-UHFFFAOYSA-N;123.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215620;MM215620;N#CC=NN=CCCO;ZOEJABUQEIBVRD-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215621;MM215621;N#CC=NN=CCCF;RFTUDJDTJGBDQT-UHFFFAOYSA-N;127.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215622;MM215622;C=CC=NN=CCOC;AHYLPVYIRZPROR-UHFFFAOYSA-N;126.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215623;MM215623;C=CC=NN=COCC;ZWFIOCHSTOWORJ-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215624;MM215624;C=CC=CC=CCC=C;OYKCREAMXRCUQC-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215625;MM215625;C=CC=CC=CCC=O;PEBSMUGVXAWSLF-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215626;MM215626;C=CCC=CC=CC=O;VEIAVWGDUXTGOR-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215627;MM215627;C=CCC=CC=CC#N;HJBQKKBWUMCGQG-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215628;MM215628;O=CC=CC=CCC=O;GKGBNVMGECNYAN-UHFFFAOYSA-N;124.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215629;MM215629;N#CCC=CC=CC=O;SLZGHHMXHASQHG-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215630;MM215630;N#CC=CC=CCC=O;UPOWXZIBZUPCFA-UHFFFAOYSA-N;121.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215631;MM215631;N#CC=CC=CCC#N;WXTWCGWGHWQSBF-UHFFFAOYSA-N;118.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215632;MM215632;C=CC=CC=CNC=O;XUBUPNFFAJQIPY-UHFFFAOYSA-N;123.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215633;MM215633;C=CC=CC=COC=C;HSLACCMZTJCPHF-UHFFFAOYSA-N;122.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215634;MM215634;C=COC=CC=CC#N;FRPFHYZFHSIJSY-UHFFFAOYSA-N;121.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215635;MM215635;N#CC=CC=COC=O;WGJZYUQDKGJAFP-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215636;MM215636;C=CCC=CC=NN=C;QYCIPPQXOAYIJM-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215637;MM215637;N=C(CF)NOC(N)=O;JLFRWFGMGPUNCI-UHFFFAOYSA-N;135.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215638;MM215638;C=COC=CC=NN=C;FHKULZAFKIDUOB-UHFFFAOYSA-N;124.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215639;MM215639;CCN=CN(O)CC#N;DJIYVJOZRWWPIZ-UHFFFAOYSA-N;127.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215640;MM215640;N#CC=CC=NOC=O;NPNFMHHUZOXPLZ-UHFFFAOYSA-N;124.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215641;MM215641;C=NN=CC=NOC=O;BKKOQFNGNUMVQY-UHFFFAOYSA-N;127.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215642;MM215642;C=CN=CNC=CC#N;YHMKUAVHRURWTO-UHFFFAOYSA-N;121.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215643;MM215643;C=CN=CN=CNC=N;WEFKYEYFZBKWTI-UHFFFAOYSA-N;124.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215644;MM215644;C=CN=CN=CNC=O;QDTRVCBYBNTPPA-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215645;MM215645;C=CC=NN=CCC=C;PHQBBRDQNUVMTA-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215646;MM215646;C=CC=NN=CCC=O;QLJSRWWNSMFUJP-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215647;MM215647;C=CCC=NN=CC=O;MSJUINVJSJIQOQ-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215648;MM215648;C=CCC=NN=CC#N;KIAVMGNREIBLAH-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215649;MM215649;O=CC=NN=CCC=O;CFFYWISTLADCMF-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215650;MM215650;N#CC=NN=CCC=O;FLQKGUPBDWRGRV-UHFFFAOYSA-N;123.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215651;MM215651;NN=CN(O)C=CCO;YUBXJFQOVOHOFU-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215652;MM215652;CNN=CN(O)C=CF;ZCPPAIUXMHAAHB-UHFFFAOYSA-N;133.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215653;MM215653;C=CC=NN=COC=C;BFGNSXLGDAAUKP-UHFFFAOYSA-N;124.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215654;MM215654;C=COC=NN=CC=O;YQYXTLHLQGCKMQ-UHFFFAOYSA-N;126.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215655;MM215655;C#CCC=CC=CC=C;IICFBLLLKXKMST-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215656;MM215656;C#CCC=CC=CC=O;ZIIUDNLAWADISU-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215657;MM215657;C#CCC=CC=CC#N;XMNRRIRVXBWTJL-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215658;MM215658;C#CCC=CC=NN=C;RANPYMFATNVUKG-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215659;MM215659;C#CCC=NN=CC=C;VMRLIUFBYZFVAK-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215660;MM215660;C#CCC=NN=CC=O;CHIUPEHUXGKFEW-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215661;MM215661;C#CC=CC=CCCC;HEMBMBXKQOCYQY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215662;MM215662;C#CC=CC=CCCN;QSLHEIASKFUUKV-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215663;MM215663;N=C(NO)ON=CCF;ZZYIGQUSBRJYOS-UHFFFAOYSA-N;135.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215664;MM215664;C#CC=CC=CCCF;AQQYWUYAKVGANO-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215665;MM215665;C#CC=CC=CCNC;VPAHRLQHKIUOLB-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215666;MM215666;C#CC=CC=CCOC;QSLGCTVSMYNOFW-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215667;MM215667;C#CC=CC=NNCC;MNZOZKBHFLQJPP-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215668;MM215668;C#CC=CC=NOCC;CNOJZRGHICKNIC-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215669;MM215669;C#CC=NN=CCCC;HUSWOIJEZPSLTG-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215670;MM215670;C#CC=NN=CCCN;DKXWWVPSBPGXLJ-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215671;MM215671;C#CC=NN=CCCO;YJETUAANOMKDJM-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215672;MM215672;C#CC=NN=CCCF;DTMNDSFKVGMTQK-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215673;MM215673;C#CC=NN=CCOC;MLFUMOOJAHHELF-UHFFFAOYSA-N;124.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215674;MM215674;C#CC=CC=CCC=C;QMQOMAAZNGOAHB-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215675;MM215675;C#CC=CC=CCC=O;LEXNIVLPGPUYIP-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215676;MM215676;C#CC=CC=CCC#N;WFRUDYPICHTCTP-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215677;MM215677;C#CC=CC=COC=C;XLFJXEREFNNDPX-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215678;MM215678;C#CC=CC=COC=O;UIWQVQLIOWANEF-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215679;MM215679;C#CC=NN=CCC=C;CUXCRAHEUFZSLI-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215680;MM215680;C#CC=NN=CCC=O;CQRLNGUVMRZUFE-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215681;MM215681;C#CC=NN=COC=C;QWBDHSLBOJZCBH-UHFFFAOYSA-N;122.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215682;MM215682;C#CC=NN=COC=O;VSVYYIYAUSQRML-UHFFFAOYSA-N;124.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215683;MM215683;C#CC=NN=CON=C;JGWMPINJIQBKDH-UHFFFAOYSA-N;123.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215684;MM215684;C#CC=CC=CCC#C;ATJSPKQQJULOKU-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215685;MM215685;C#CC=NN=CCC#C;WITRGPMJPWVYPX-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215686;MM215686;CCC=CC=CC=CF;BJQIIFBCPCTOPC-UHFFFAOYSA-N;126.17;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215687;MM215687;CC=CC=CC=CCN;MEPSJVSZYBORPF-UHFFFAOYSA-N;123.2;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215688;MM215688;NCC=CC=CC=CF;ZEAZPTRABXNHFY-UHFFFAOYSA-N;127.16;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215689;MM215689;CC=CC=CC=CCO;HGCHLLVWUXOVFU-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215690;MM215690;FC=CC=CC=CCF;GFBPZJBLHVMAAE-UHFFFAOYSA-N;130.14;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215691;MM215691;CCC=CC=CC=NN;FFNYCBDUKPPBRJ-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215692;MM215692;CNN=C(NO)OC=O;YDEGTZBSYFTFEO-UHFFFAOYSA-N;133.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215693;MM215693;ON=CC=CC=CCF;YUIQOUGFOQEQIH-UHFFFAOYSA-N;129.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215694;MM215694;CC=CC=CC=COC;NGAMQOMYJFWXTI-UHFFFAOYSA-N;124.18;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215695;MM215695;CC=CC=CC=NOC;RHMCLBKRCWPGGY-UHFFFAOYSA-N;125.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215696;MM215696;CC=NN=CC=CCC;ATIMQUUYYMQUDA-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215697;MM215697;CC=NN=CC=CCN;CIOWYDQIWLZIRW-UHFFFAOYSA-N;125.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215698;MM215698;CC=NN=CC=CCO;WZEFIVJKWRVNJH-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215699;MM215699;CC=NN=CC=CCF;RIRNJJUQDBYOAD-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215700;MM215700;CC=NNC=CC=NC;HHBBAQVDLYSGJK-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215701;MM215701;CC=NN=CC=COC;IAQZCDRMUJNNCS-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215702;MM215702;CC=NN=CC=NOC;FBQQCAKRHBOKMF-UHFFFAOYSA-N;127.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215703;MM215703;CC=CC=NN=CCC;YHSDSLISBAFADQ-UHFFFAOYSA-N;124.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215704;MM215704;CCC=NN=CC=CN;WDDABANHZOBYOD-UHFFFAOYSA-N;125.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215705;MM215705;CCC=NN=CC=CF;RSBNYBJCNKIZPO-UHFFFAOYSA-N;128.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215706;MM215706;CC=CC=NN=CCO;HKRWVYXHRBVNEJ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215707;MM215707;OCC=NN=CC=CF;OVWJEYSSYVYNOV-UHFFFAOYSA-N;130.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215708;MM215708;CC1OC(=NN)C=C1N;TYIZWDNSQNSHQL-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215709;MM215709;N=c1ncn(O)cc1F;QQQMTUMSRDYJPS-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215710;MM215710;FC=CC=NN=CCF;VHBDDHBVCWWHRK-UHFFFAOYSA-N;132.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215711;MM215711;C=C1C(O)CC2(C)NC12;UXDCMJJLONBSDH-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215712;MM215712;CCC=NN=CC=NO;BKOPTYVJTOGUIR-UHFFFAOYSA-N;127.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215713;MM215713;N=Cn1cc(CO)cn1;JQNXARBLYDKGON-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215714;MM215714;OCC=NN=CC=NO;VYEMVAKJCZFOGX-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215715;MM215715;O=CC12CCC(O)C1N2;VAIVMBFCKUXUFB-UHFFFAOYSA-N;127.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215716;MM215716;ON=CC=NN=CCF;HFRTWNWZYNNVTG-UHFFFAOYSA-N;131.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215717;MM215717;CC=CC=NN=COC;QOQUWJVQVIQZDN-UHFFFAOYSA-N;126.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215718;MM215718;COC=NN=CC=CF;QAPWYGMOFNQPIC-UHFFFAOYSA-N;130.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215719;MM215719;C=CC=CC=CC=CC;HRRORGQIZRYJFZ-UHFFFAOYSA-N;120.2;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215720;MM215720;C=CC=CC=CC=CF;XANDBJMKOVLWOG-UHFFFAOYSA-N;124.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215721;MM215721;CC=CC=CC=CC#N;IHQIRPNNOWWUBA-UHFFFAOYSA-N;119.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215722;MM215722;O=CC=CC=CC=CF;XAMNOEYGQASLIR-UHFFFAOYSA-N;126.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215723;MM215723;C=CC=CC=CC=NN;HEBIAEKLEDIELZ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215724;MM215724;N#CC=CC=CC=NO;BOLKLKALHDEZTA-UHFFFAOYSA-N;122.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215725;MM215725;C=NN=CC=CC=CC;VVTNIKVHUJQNAN-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215726;MM215726;C=NN=CC=CC=CF;MYXHWIJUKQUSDV-UHFFFAOYSA-N;126.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215727;MM215727;C=NN=CC=CC=NO;XQJMTURRMGKXNT-UHFFFAOYSA-N;125.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215728;MM215728;C=CC=CC=NN=CC;NVBWHKIMMMYFPU-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215729;MM215729;CC=NN=CC=CC=O;VFOISUXRWRGWJK-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215730;MM215730;CC=NN=CC=CC#N;NVEVBRSKRZBYMX-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215731;MM215731;C=NN=CC=NN=CC;GTMOOIRCPSFFNY-UHFFFAOYSA-N;124.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215732;MM215732;C=CC=NN=CC=CC;RXWUQMNRIFQSMN-UHFFFAOYSA-N;122.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215733;MM215733;C=CC=NN=CC=CN;ICLNXWDSMHUGAD-UHFFFAOYSA-N;123.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215734;MM215734;C=CC=NN=CC=CF;KFRJXEGEXLIPLJ-UHFFFAOYSA-N;126.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215735;MM215735;CC=CC=NN=CC=O;AJRSQNNUPNRUSD-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215736;MM215736;CC=CC=NN=CC#N;PWLBFMHEXISMGD-UHFFFAOYSA-N;121.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215737;MM215737;O=CC=NN=CC=CF;ZWFSDSICXUTVHM-UHFFFAOYSA-N;128.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215738;MM215738;N#CC=NN=CC=CF;IIYBJPVIVPPBRB-UHFFFAOYSA-N;125.11;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215739;MM215739;CCC(O)C1NC1C#N;OTBKMVWNRMJZOJ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215740;MM215740;C=CC=NN=CC=NO;ZXLWRJKLYYLFOA-UHFFFAOYSA-N;125.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215741;MM215741;CC(C)=NOCC(C)(C)O;SAPFJOSOSFWPPU-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215742;MM215742;C#CC=CC=CC=CF;NLTYXLFQFBGIOH-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215743;MM215743;C#CC=CC=CC=NN;YCKGGPDJXKHMHN-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215744;MM215744;C#CC=CC=CC=NO;KOSWAEXFHLSXLH-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215745;MM215745;C#CC=NN=CC=CC;NZDCHHHXMYZNBY-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215746;MM215746;C#CC=NN=CC=CF;HVGARDBJEVGAKE-UHFFFAOYSA-N;124.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215747;MM215747;CC(C)(CO)N=C(N)C=O;PLIXXINHYIPVNN-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215748;MM215748;C#CC=NN=CC=NO;LHVKWUMUOHCQLE-UHFFFAOYSA-N;123.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215749;MM215749;CC#CC=CC=CCN;RZGWLDLSQMOLBZ-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215750;MM215750;CC#CC=CC=CCO;LGSPGFQRRDRXIB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215751;MM215751;CC#CC=CC=CCF;WSXMTSMJTDHKQU-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215752;MM215752;CC#CC=CC=COC;UFJXOSDCEHDHTH-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215753;MM215753;CC#CC=CC=NNC;OYNHGHJIMBDLIA-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215754;MM215754;CC#CC=CC=NOC;HYTQIJWXBOJSLE-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215755;MM215755;CC#CC=NN=CCC;YMSXWJGXKZCVPV-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215756;MM215756;CC#CC=NN=CCO;OSCFERCDTNQIMH-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215757;MM215757;CC#CC=NN=CCF;KLPMRAUJLMBPET-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215758;MM215758;CC#CC=NN=COC;IRBZINHSJQGMHF-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215759;MM215759;C=CC=CC=CC#CC;JZUTYUGDYYAIIY-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215760;MM215760;CC#CC=CC=CC=O;MWHIPAVLAZOGLJ-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215761;MM215761;CC#CC=CC=CC#N;QUNKQIWINTWIRR-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215762;MM215762;C=NN=CC=CC#CC;IGNFLYZBGWTVPM-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215763;MM215763;C=CC=NN=CC#CC;XDDXMHLRENPAOV-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215764;MM215764;CC#CC=NN=CC=O;FFQWYBBIFLPHNS-UHFFFAOYSA-N;122.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215765;MM215765;CC#CC=NN=CC#N;AJBHSQAWGMZXKV-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215766;MM215766;C#CC=CC=CC#CC;FQCIXLUDAILVTJ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215767;MM215767;C#CC=NN=CC#CC;FYRTVHPSQVRQAA-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215768;MM215768;CCC#CC=CCCC;CXQPOTLTKIVSJZ-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215769;MM215769;CCC#CC=CCCN;MDMYVWIIKKSBJK-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215770;MM215770;CCC#CC=CCCO;WXGJPGDMRMENHE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215771;MM215771;CCC#CC=CCCF;UTWJEGWUUORMDK-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215772;MM215772;CCCC=CC#CCN;CQVDPADDUJAGNM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215773;MM215773;NCC#CC=CCCF;BEVYTDZYCOYAHV-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215774;MM215774;CCCC=CC#CCO;SJHNTJQFENTNIN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215775;MM215775;CCCC=CC#CCF;PITIYVDUMOXALB-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215776;MM215776;NCCC=CC#CCF;NSPLTYUZTXNDPX-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215777;MM215777;FCC#CC=CCCF;NQKHCUQXDJBOGO-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215778;MM215778;CCC#CC=CCNC;PNLRQCFDPYHECE-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215779;MM215779;CNCC=CC#CCF;AWWJYZJTVNBUIN-UHFFFAOYSA-N;127.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215780;MM215780;CCC#CC=CCOC;RBZUOYHUHYRDBL-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215781;MM215781;COCC=CC#CCN;VLBKCERHXQRDMJ-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215782;MM215782;COCC=CC#CCF;HQUAWCYNKDJBKB-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215783;MM215783;CCC#CC=COCC;UMPGNSOSPIPCBF-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215784;MM215784;CCOC=CC#CCN;KNPIPGKQDCACKH-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215785;MM215785;CCOC=CC#CCO;AOHMFYIPDUOPTQ-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215786;MM215786;CCOC=CC#CCF;JXFCJUXWOOLHDF-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215787;MM215787;CCC#CC=NNCC;ZPHLSIAWUJZCJN-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215788;MM215788;CCNN=CC#CCF;ALJYXIYMSMGIDF-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215789;MM215789;CCC#CC=NOCC;LJMXCPAXMKWCMO-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215790;MM215790;CCON=CC#CCF;BADHXWHZDQRYHJ-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215791;MM215791;C=CCC=CC#CCC;YULLKEGOVDFNKE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215792;MM215792;CCC#CC=CCC=O;CADNJEPREUTGSP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215793;MM215793;CCC#CC=CCC#N;RCMSZRMEMANTPV-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215794;MM215794;C=CCC=CC#CCN;MOOXXZKADAPAQN-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215795;MM215795;C=CCC=CC#CCO;YEFMTIQTUDHRSR-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215796;MM215796;O=CCC=CC#CCO;XEHJTARYZFTYKK-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215797;MM215797;C=CCC=CC#CCF;NPECVCXEJXSIKJ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215798;MM215798;O=CCC=CC#CCF;GNRJQXPUOOXBHD-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215799;MM215799;N#CCC=CC#CCF;PFXJRJDYZRSZBC-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215800;MM215800;CCC#CC=CNC=N;YBRYKXQQVNYCON-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215801;MM215801;CCC#CC=CNC=O;OPSONRBRDYGYEG-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215802;MM215802;NCC#CC=CNC=O;ABKBDKQQEUYETL-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215803;MM215803;N=CNC=CC#CCF;BGLJDOMNWSBRCK-UHFFFAOYSA-N;126.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215804;MM215804;C=COC=CC#CCC;SQJIUMXKWZZEJF-UHFFFAOYSA-N;122.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215805;MM215805;CCC#CC=COC=O;OKQVHZPXZVWWRY-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215806;MM215806;C=COC=CC#CCN;WOZPSFMGVQVSSI-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215807;MM215807;NCC#CC=COC=O;KJRKEXQYBZZHFS-UHFFFAOYSA-N;125.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215808;MM215808;C=COC=CC#CCO;NCRZRUOMGMTNQV-UHFFFAOYSA-N;124.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215809;MM215809;C=COC=CC#CCF;OUSIPYHCOFMUNC-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215810;MM215810;O=COC=CC#CCF;LLQOXZMWARPMIC-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215811;MM215811;O=CNN=CC#CCF;VDRQGIFSVIRAOO-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215812;MM215812;CCC#CC=NOC=O;RIIKLDWFGGRJBN-UHFFFAOYSA-N;125.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215813;MM215813;NCC#CC=NOC=O;GPUXNTDAQAQGTG-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215814;MM215814;C#CCC=CC#CCC;XUYFXKRUALQHCF-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215815;MM215815;C#CCC=CC#CCN;YLTIJWPOXGSRRE-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215816;MM215816;C#CCC=CC#CCO;SPIYGDMNLFHQQL-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215817;MM215817;C#CCC=CC#CCF;YHOYYKXEEINDMU-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215818;MM215818;C=CC#CC=CCCC;GFCGKURNIFNEJJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215819;MM215819;C=CC#CC=CCCN;NAEBDKBLOOBCMD-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215820;MM215820;C=CC#CC=CCCO;ZWNGZHBWPKTEFE-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215821;MM215821;C=CC#CC=CCCF;JJUPJSBJRVFEPH-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215822;MM215822;CCCC=CC#CC=O;BLBPJDUSPGNSEW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215823;MM215823;CCCC=CC#CC#N;SZEXNSVFKUKTGY-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215824;MM215824;N#CC#CC=CCCO;UZSCVLQWLPOLPO-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215825;MM215825;C=CC#CC=CCNC;XSNBUQKCHRPEKT-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215826;MM215826;CNCC=CC#CC#N;CYCOVRUANFVZTO-UHFFFAOYSA-N;120.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215827;MM215827;C=CC#CC=CCOC;KUWBUIXJMCPCJM-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215828;MM215828;COCC=CC#CC=O;MHOPFTYOBYCGJR-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215829;MM215829;C=CC#CC=COCC;XDPNUYBYILLZRT-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215830;MM215830;CCOC=CC#CC=O;MCJOOHRSYHUPKG-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215831;MM215831;CCOC=CC#CC#N;FPDYBOPWDAPPIA-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215832;MM215832;C=CC#CC=NNCC;NWUQLWXMHJOALV-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215833;MM215833;CCNN=CC#CC=O;FKIQTGABTSJNFN-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215834;MM215834;CCNN=CC#CC#N;GENOMBSBJPALHE-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215835;MM215835;C=CC#CC=NOCC;ZDXAQDAFLOLQQH-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215836;MM215836;CCON=CC#CC=O;IOOPMUDOIGVJLC-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215837;MM215837;CCON=CC#CC#N;IIGHBZZPOOFHDI-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215838;MM215838;C=CC#CC=CCC=C;FBHJCMAOBRCUHU-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215839;MM215839;C=CC#CC=CCC=O;UUHRIKKJSHQGDY-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215840;MM215840;C=CC#CC=CCC#N;HCQJSLYKSZNEAF-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215841;MM215841;C=CCC=CC#CC=O;KFHMQQOQKCUFSW-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215842;MM215842;C=CCC=CC#CC#N;VCOYVAXCKMNLKK-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215843;MM215843;O=CC#CC=CCC=O;ZFJXNACOGFFWIC-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215844;MM215844;N#CCC=CC#CC=O;AYCKQVSCMFGZSP-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215845;MM215845;N#CC#CC=CCC=O;UNAMQGWIKIVHPR-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215846;MM215846;N=CNC=CC#CC=O;FWHISEFIEZUTEA-UHFFFAOYSA-N;122.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215847;MM215847;N#CC#CC=CNC=N;TTXOKYCNSXTKKQ-UHFFFAOYSA-N;119.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215848;MM215848;C=CC#CC=COC=C;RPUDXYZLKIFRDB-UHFFFAOYSA-N;120.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215849;MM215849;C=CC#CC=COC=O;USVADTYBXOPCKH-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215850;MM215850;C=COC=CC#CC=O;QLQHZMHJZSRWCX-UHFFFAOYSA-N;122.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215851;MM215851;C=COC=CC#CC#N;IBUYARZJYLIFSZ-UHFFFAOYSA-N;119.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215852;MM215852;O=CC#CC=COC=O;VZCMJALMUOQVBU-UHFFFAOYSA-N;124.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215853;MM215853;N#CC#CC=COC=O;IPAKBKYQBAGAGQ-UHFFFAOYSA-N;121.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215854;MM215854;C=CC#CC=NOC=O;IKYIYZIFCKVLGZ-UHFFFAOYSA-N;123.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215855;MM215855;O=CC#CC=NOC=O;XLSQXDQTKYZYTH-UHFFFAOYSA-N;125.08;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215856;MM215856;N#CC#CC=NOC=O;IYOUPTLNSVRUFB-UHFFFAOYSA-N;122.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215857;MM215857;C#CCC=CC#CC=C;FPWBIULJKDMVCS-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215858;MM215858;C#CCC=CC#CC=O;NVJWFPSVOLSLJR-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215859;MM215859;C#CCC=CC#CC#N;BAGPKZNPGVCPNX-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215860;MM215860;C#CC#CC=CCCC;XEQGZWDNAYOMEI-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215861;MM215861;C#CC#CC=CCCN;OROUEKWYTXWDOE-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215862;MM215862;C#CC#CC=CCCO;PDKFHZALHKXGJL-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215863;MM215863;C#CC#CC=CCCF;SPFWQAGXVWGIEX-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215864;MM215864;C#CC#CC=CCNC;NABSPHFUVNEMJL-UHFFFAOYSA-N;119.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215865;MM215865;C#CC#CC=CCOC;RDDXPDHAVNFPFC-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215866;MM215866;C#CC#CC=COCC;MKSPYHYATXGHLV-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215867;MM215867;C#CC#CC=NNCC;FDLLAFBYJAJAQO-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215868;MM215868;C#CC#CC=NOCC;HXCLSZJKZXAPMJ-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215869;MM215869;C#CC#CC=CCC=C;CYHJCTPVZWMINZ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215870;MM215870;C#CC#CC=CCC=O;MBWODUDDVMFQQV-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215871;MM215871;C#CC#CC=CNC=N;DRRDOHBIBBRXLH-UHFFFAOYSA-N;118.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215872;MM215872;C#CC#CC=COC=C;YWMWUSAFKRSQNS-UHFFFAOYSA-N;118.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215873;MM215873;C#CC#CC=COC=O;TZIXVMRHPFYKQP-UHFFFAOYSA-N;120.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215874;MM215874;C#CC#CC=NOC=O;AZLYELQCXNXCBU-UHFFFAOYSA-N;121.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215875;MM215875;C#CC#CC=CCC#C;NXSDWYWZLVGPCA-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215876;MM215876;CC=CC=CC#CCC;JHPHLJMCZKQNSF-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215877;MM215877;CCC#CC=CC=CF;ZGCYFPNYPHEKEA-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215878;MM215878;CC=CC=CC#CCN;XBRRJKLJYCOIDV-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215879;MM215879;NCC#CC=CC=CF;WYVLTRAMKCVWOQ-UHFFFAOYSA-N;125.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215880;MM215880;CC=CC=CC#CCO;UKIVYZZJNBZELD-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215881;MM215881;CC=CC=CC#CCF;ODEGVGGFCRGEIG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215882;MM215882;CCC#CC=CC=NN;WXQXIEHVVOFQIX-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215883;MM215883;CCC#CC=CC=NO;NDEBTNSLOYILQU-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215884;MM215884;NN=CC=CC#CCF;HVHFDCOSCWKARH-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215885;MM215885;ON=CC=CC#CCF;PHBOMHCEIDIQLA-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215886;MM215886;CC=NN=CC#CCC;UOPDEYJMPLCMMO-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215887;MM215887;CC=NN=CC#CCO;GZNOQLVYHSRTDM-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215888;MM215888;CC=NN=CC#CCF;VBHAWHRIMJILDO-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215889;MM215889;C=CC#CC=CC=CC;XGLAHUDOUGNIRP-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215890;MM215890;C=CC#CC=CC=CF;RQUZHJROPCQCED-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215891;MM215891;CC=CC=CC#CC=O;PDURFDMGWKUNBG-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215892;MM215892;CC=CC=CC#CC#N;XOTTWYNOMHZOGP-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215893;MM215893;O=CC#CC=CC=CF;MWFTVEMZJLUPQL-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215894;MM215894;N#CC#CC=CC=CF;IRLRKTFJIWBEFH-UHFFFAOYSA-N;121.11;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215895;MM215895;C=CC#CC=CC=NN;PPPCZFWDVJRLAB-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215896;MM215896;C=CC#CC=CC=NO;ZOTQRMRHCGCSQK-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215897;MM215897;O=CC#CC=CC=NO;ANQNQLBVXMABAL-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215898;MM215898;C=CC#CC=NN=CC;VIECEBCTMXIAIH-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215899;MM215899;CC=NN=CC#CC#N;FHHUFNMZELUNSC-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215900;MM215900;C#CC#CC=CC=CC;STKRCYUPEOMBRJ-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215901;MM215901;C#CC#CC=CC=CF;YFZKVDZJRHJJEH-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215902;MM215902;C#CC#CC=CC=NN;DMZVGSUQLWUHDA-UHFFFAOYSA-N;118.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215903;MM215903;C#CC#CC=CC=NO;QFHPCMWYBHQTEW-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215904;MM215904;C#CC#CC=NN=CC;BRVURYMYQDZPPU-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215905;MM215905;CC#CC=CC#CCC;GJLTWULTJSCRJZ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215906;MM215906;CC#CC=CC#CCN;VVQDAWHGNPEBRQ-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215907;MM215907;CC#CC=CC#CCO;XQPVLFRBRJVVBX-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215908;MM215908;CC#CC=CC#CCF;DFTARFWPIOKOSE-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215909;MM215909;C=CC#CC=CC#CC;AGAPNFUJYWLMNU-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215910;MM215910;CC#CC=CC#CC=O;NGCUDRCHHXAQAH-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215911;MM215911;CC#CC=CC#CC#N;MIAOJZKNTDHPKL-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215912;MM215912;C#CC#CC=CC#CC;XTKNLPYNBUWZGP-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215913;MM215913;CCCC#CCCCC;RAYTXPDVKZFUEI-UHFFFAOYSA-N;124.23;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215914;MM215914;CCCCC#CCCN;FMZNNKJCSMFFHH-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215915;MM215915;CCCCC#CCCO;LRZGRGVRZSDRTK-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215916;MM215916;CCCCC#CCCF;IQXVCHDXDODVPW-UHFFFAOYSA-N;128.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215917;MM215917;CCCC#CCCCN;JYOZBPGRBFJKPS-UHFFFAOYSA-N;125.22;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215918;MM215918;CCCC#CCCCO;UCTGHDMOMUZRLR-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215919;MM215919;NCCC#CCCCF;GEWZZNLUERHARF-UHFFFAOYSA-N;129.18;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215920;MM215920;CCCCC#CCNC;XYQDILSQRUDBCZ-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215921;MM215921;CNCC#CCCCF;YUWLWDHFURVQCH-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215922;MM215922;COCC#CCCCN;WIPZZBWFMHBIBB-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215923;MM215923;COCC#CCCCO;RFVPWZKPVKHZER-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215924;MM215924;CCCC#CCCNC;RDQWAVHCBNJDOS-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215925;MM215925;CNCCC#CCCF;WEJDFZKCWSVNRC-UHFFFAOYSA-N;129.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215926;MM215926;CNCCC#CCOC;FJVWAKQKWYHDKC-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215927;MM215927;CCCC#CCCOC;XSXVROAAFQONQW-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215928;MM215928;COCCC#CCCN;HEEXGNHIQUXKGP-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215929;MM215929;COCCC#CCCO;PSKOKTRGLAOYCV-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215930;MM215930;COCCC#CCCF;VLSCUNARQVHPNX-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215931;MM215931;CNCC#CCCOC;VPMZLMMRCOFTLD-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215932;MM215932;COCC#CCCOC;ZHGFJJLXHRNYSP-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215933;MM215933;CCCC#CCNCC;BXKBXPQVRISADV-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215934;MM215934;CCNCC#CCOC;GRHGSIUAZGCVRC-UHFFFAOYSA-N;127.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215935;MM215935;CCCC#CCOCC;WTKFRAVINPCRPO-UHFFFAOYSA-N;126.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215936;MM215936;CCOCC#CCCN;BZMFJZVFANWBDZ-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215937;MM215937;CCOCC#CCCO;TWMAEEIDTMDNFW-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215938;MM215938;CCOCC#CCCF;DNKORZSVUWNHIS-UHFFFAOYSA-N;130.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215939;MM215939;CCOCC#CCOC;UZIIIGNZJXZXJC-UHFFFAOYSA-N;128.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215940;MM215940;C=CCC#CCCCC;GCZWNQLPRSOVNI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215941;MM215941;CCCCC#CCC=O;JWVVZHHIPQFCDF-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215942;MM215942;C=CCC#CCCCN;HUNVVLFHOMPIQR-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215943;MM215943;C=CCC#CCCCO;LIOAFCWLPFAZHO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215944;MM215944;C=CCC#CCCCF;VRZTXIKGALOPLC-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215945;MM215945;O=CCC#CCCCF;GZQHRRJCMQCGLS-UHFFFAOYSA-N;128.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215946;MM215946;N#CCC#CCCCF;KVOVJMRIGSFBAG-UHFFFAOYSA-N;125.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215947;MM215947;C=CCC#CCCNC;SKNQZJRFGHFZTP-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215948;MM215948;CNCCC#CCC=O;JPYILTOKJOZOTP-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215949;MM215949;CNCCC#CCC#N;AIOJIWALSPWPJD-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215950;MM215950;C=CCC#CCCOC;DLIFSKNYBYJSGL-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215951;MM215951;COCCC#CCC=O;NPPMFKFGEZQOJK-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215952;MM215952;COCCC#CCC#N;JEHBEVVYMZXKSQ-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215953;MM215953;C=CCC#CCNCC;IDAIITSGAFBRDQ-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215954;MM215954;CCNCC#CCC=O;BHTSGCQBWWRPDT-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215955;MM215955;CCNCC#CCC#N;FJULHHDEKZMZNN-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215956;MM215956;C=CCC#CCOCC;MQVKVGMVIPRSSL-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215957;MM215957;CCOCC#CCC=O;VHJGXBTXQAIXEZ-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215958;MM215958;CCOCC#CCC#N;WTWIOXMRQZKLNS-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215959;MM215959;C#CCC#CCCCC;ZUSRILPCSREOBW-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215960;MM215960;C#CCC#CCCCN;PHQDGZHCAKUXJS-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215961;MM215961;C#CCC#CCCCO;DBTDAXLOGXXYPZ-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215962;MM215962;C#CCC#CCCCF;OZFUSQBPAOIHIL-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215963;MM215963;C#CCC#CCCNC;WJWHGXDNTBAFLX-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215964;MM215964;C#CCC#CCCOC;VZCLUDPLXQGVOT-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215965;MM215965;C#CCC#CCNCC;AKAQRWZGDQILGM-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215966;MM215966;C#CCC#CCOCC;UEMWFFKPUMOHLH-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215967;MM215967;C=CCCC#CCCC;XQMITNTZOLZPBV-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215968;MM215968;C=CCCC#CCCN;SURMTTVJBPBJOC-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215969;MM215969;C=CCCC#CCCF;PRYQVDYQGCQLLP-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215970;MM215970;CCCC#CCCC=O;OAZWATINNLDAQC-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215971;MM215971;CCCC#CCCC#N;LIMYYRMLFDKYBX-UHFFFAOYSA-N;121.18;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215972;MM215972;C=CCCC#CCNC;QLOAAQHNIYOPKW-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215973;MM215973;CNCC#CCCC=O;PLDUKEUPSCHTMF-UHFFFAOYSA-N;125.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215974;MM215974;CNCC#CCCC#N;CJDYGZUVJGTMBV-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215975;MM215975;C=CCCC#CCOC;LPQKYCMPXMIMAP-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215976;MM215976;CCCC#CCNC=N;WALGODMUUSJKIS-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215977;MM215977;N=CNCC#CCCO;STGPKUWFKOPZPO-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215978;MM215978;N=CNCC#CCCF;AGZJLCKITDDCDF-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215979;MM215979;CCCC#CCNC=O;ZXWARPMTOYLPHB-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215980;MM215980;NCCC#CCNC=O;NMSOSXUWBIDOLP-UHFFFAOYSA-N;126.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215981;MM215981;CNCC#CCNC=N;AYAXZKHZMHRTRI-UHFFFAOYSA-N;125.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215982;MM215982;COCC#CCNC=N;YTCNOGJBOREQPU-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215983;MM215983;COCC#CCNC=O;AQAYMAUKBIHXRX-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215984;MM215984;CCC=NOCC(C)(C)O;LCNFTHBMVREKEK-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215985;MM215985;C=COCC#CCCC;XWESMNZOQQIPCC-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215986;MM215986;C=COCC#CCCN;RIPHROIRWLSHMK-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215987;MM215987;C=COCC#CCCO;ZSTNILKDEMKQTB-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215988;MM215988;CCCC#CCOC=O;PLYYMLDGEQKZRS-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215989;MM215989;O=COCC#CCCO;CKIFCWXHMSPGEX-UHFFFAOYSA-N;128.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215990;MM215990;C=COCC#CCOC;GCJXILCILFGLDJ-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215991;MM215991;COCC#CCOC=O;UDIADOIAKHLODN-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215992;MM215992;C=NOCC#CCCC;XWGLIXOYWANPDM-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215993;MM215993;C=NOCC#CCOC;KMSYNFXKUGYQAZ-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215994;MM215994;C=CCC#CCCC=C;YJPMTLUVOHDNQN-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215995;MM215995;C=CCCC#CCC=O;FTWHCIUVBQDOLZ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215996;MM215996;C=CCCC#CCC#N;IWDUUCVRIMLPDL-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215997;MM215997;C=CCC#CCCC=O;HMSZWGFOVKQKSJ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215998;MM215998;C=CCC#CCCC#N;FBCQSEHTLJVZSI-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM215999;MM215999;O=CCC#CCCC=O;XDZJVMSGNVRVGL-UHFFFAOYSA-N;124.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216000;MM216000;N#CCCC#CCC=O;SFZRAPVAAZCUKZ-UHFFFAOYSA-N;121.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216001;MM216001;C=CCC#CCNC=N;YSGIFEVULBIXFB-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216002;MM216002;C=CCC#CCNC=O;YEYXOIXSQLBZPW-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216003;MM216003;CC(C)(O)CON=CCF;ZYCANVXKQDCHQH-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216004;MM216004;C=CCC#CCOC=C;QJTTUXWEYQXVHF-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216005;MM216005;C=COCC#CCC=O;BVEMKNMLSLAFCK-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216006;MM216006;C=COCC#CCC#N;LOIURXOMDONFOJ-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216007;MM216007;C=CCC#CCOC=O;CAFBKUFIDXQMGL-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216008;MM216008;N#CCC#CCOC=O;HOGWZGDTFZQDMP-UHFFFAOYSA-N;123.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216009;MM216009;C=CCC#CCON=C;PEQVXDCCOOLNKL-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216010;MM216010;COC=NOCC(C)(C)O;DFZVPRSWJMEXKI-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216011;MM216011;C#CC=NOCC(C)(C)O;UQBNOWDSPBMENH-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216012;MM216012;C#CCC#CCCC=C;IVRJIQOSOYEILU-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216013;MM216013;C#CCC#CCCC=O;NJDFRZSLIJZNMK-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216014;MM216014;C#CCC#CCCC#N;KVEYMELWQMHXHG-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216015;MM216015;C#CCC#CCNC=N;LBGPUJYYHKUVJI-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216016;MM216016;C#CCC#CCNC=O;TYJGIWAZSDORST-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216017;MM216017;C#CCC#CCOC=C;KOZSBNHZXAJCSF-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216018;MM216018;C#CCC#CCON=C;IPTZNGNWRYHZMO-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216019;MM216019;C#CCCC#CCCC;VMSUOBBUSOFIDT-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216020;MM216020;C#CCCC#CCCN;SVHDEOBHAIGEEZ-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216021;MM216021;C#CCCC#CCCO;WQAKWIKTFARVHD-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216022;MM216022;C#CCCC#CCCF;SAABXVOBNWKUIN-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216023;MM216023;C#CCCC#CCNC;TXGWTYHNJSIEBT-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216024;MM216024;C#CCCC#CCC=C;CRCNWSVURZZYKN-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216025;MM216025;C#CCCC#CCC=O;LDUSZUSSIZWHGI-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216026;MM216026;C#CCCC#CCC#N;WJCGJURGZQRHHJ-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216027;MM216027;C#CCC#CCCC#C;BGTFBXBOXJQZRM-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216028;MM216028;CC=CC#CCCCC;VSLJPTWFNWRVBG-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216029;MM216029;CCCCC#CC=CF;QTXJBEHEDKQMRF-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216030;MM216030;CC=CC#CCCCN;KXRLPQJNVSJKMX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216031;MM216031;CC=CC#CCCCO;WTVQNQGGSWBAKF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216032;MM216032;CC=CC#CCCCF;WUQAILYIMQWWDK-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216033;MM216033;CCCCC#CC=NN;MOGLBOJNCBUBLZ-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216034;MM216034;CCCCC#CC=NO;ZQTNDPJVHQCMHO-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216035;MM216035;OCCCC#CC=NO;PETTYBRTVWVKQA-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216036;MM216036;NN=CC#CCCCF;MMJNCLWWWLKGAG-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216037;MM216037;ON=CC#CCCCF;BFWIHYJJOFEUSL-UHFFFAOYSA-N;129.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216038;MM216038;CC=CC#CCCNC;OCCVDQHZWJTEAS-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216039;MM216039;CC=CC#CCCOC;OBTHLEYGEYLZLD-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216040;MM216040;COCCC#CC=NN;PMRUGHHKMULKLN-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216041;MM216041;CC=CC#CCNCC;RNLZKGXVUPSQTG-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216042;MM216042;CCNCC#CC=CF;VOLUBAUQWBNBNJ-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216043;MM216043;CC=CC#CCOCC;NYHHHYDNWUMKGT-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216044;MM216044;CCOCC#CC=CF;VRZOYMUETYTZSX-UHFFFAOYSA-N;128.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216045;MM216045;CCOCC#CC=NO;WELSCGISBUQZEI-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216046;MM216046;C=CCCC#CC=CC;ILRDFDJZBBUZDH-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216047;MM216047;C=CCCC#CC=CF;PUHRRKICNAVLHG-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216048;MM216048;CC=CC#CCCC=O;AOIJHNRCLDPHOW-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216049;MM216049;CC=CC#CCCC#N;JTANGWMCPQIUMH-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216050;MM216050;C=CCCC#CC=NN;YMVCYMGKTJPBKV-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216051;MM216051;N#CCCC#CC=NO;UHEBVKCYGHYBHB-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216052;MM216052;CC=CC#CCNC=N;NJAQTRDMXKEWQP-UHFFFAOYSA-N;122.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216053;MM216053;CC=CC#CCNC=O;GUPOLAFYXSXEPD-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216054;MM216054;NN=CCC(O)C=C(F)F;KNUAVKPDDSCIQU-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216055;MM216055;O=CNCC#CC=NO;CSISYRAZNYGPRS-UHFFFAOYSA-N;126.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216056;MM216056;CC(C)(CO)NN=CCO;MBMOEAMLJHUNPB-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216057;MM216057;C=NNC=NC(C)(C)CO;KAYQFUOBBDSMAO-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216058;MM216058;C=COCC#CC=CC;MGICNGABQKQYKE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216059;MM216059;C=COCC#CC=CF;XXGGKKRHXSWIQX-UHFFFAOYSA-N;126.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216060;MM216060;CC=CC#CCOC=O;GEWBNZGCTQHSQC-UHFFFAOYSA-N;124.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216061;MM216061;O=COCC#CC=CF;JQDCYCYNHFBXRD-UHFFFAOYSA-N;128.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216062;MM216062;C=COCC#CC=NO;HLEABHWQLHKEQW-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216063;MM216063;C=NOCC#CC=CC;WSTUJBLHDLTDSN-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216064;MM216064;C=NOCC#CC=CF;VBYXKPNUFGBVEF-UHFFFAOYSA-N;127.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216065;MM216065;C#CCCC#CC=CC;SBUKSGXINJFQRI-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216066;MM216066;C#CCCC#CC=CF;NWHZZFULCPVARH-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216067;MM216067;C#CCCC#CC=NN;GCVMFZVMYYUNEN-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216068;MM216068;CC#CC#CCCCC;UGIOLBBXFOBPJX-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216069;MM216069;CC#CC#CCCCN;TVRSWUWHEWGGOR-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216070;MM216070;CC#CC#CCCCO;VOVGANIIXKXXEN-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216071;MM216071;CC#CC#CCCCF;IHMDPNDFOGCZOY-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216072;MM216072;CC#CC#CCCNC;FPGMFOZLMSHCPX-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216073;MM216073;CC#CC#CCCOC;KCNVMLZDXZAFTC-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216074;MM216074;CC#CC#CCNCC;VRKHPMXKMKMZKX-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216075;MM216075;CC#CC#CCOCC;XFRYLXJUHKGFAA-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216076;MM216076;C=CCCC#CC#CC;DERIMXCLKJSCPT-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216077;MM216077;CC#CC#CCCC=O;BUOKMZORAGQXOE-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216078;MM216078;CC#CC#CCCC#N;BFOZFZSSLFDBDU-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216079;MM216079;CC#CC#CCNC=N;IDNICZRHUNTVKA-UHFFFAOYSA-N;120.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216080;MM216080;CC#CC#CCNC=O;LNXSPUXQPZLQBV-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216081;MM216081;COC(=O)OC(=N)N(C)O;VMWZJQOFNFOLHR-UHFFFAOYSA-N;148.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216082;MM216082;C=COCC#CC#CC;BQJPXVHRHCPCRH-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216083;MM216083;CC#CC#CCOC=O;QLNKKVOIAFCOQT-UHFFFAOYSA-N;122.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216084;MM216084;C=NOCC#CC#CC;XFSNVQGIJORXEW-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216085;MM216085;CC=CCC#CCCC;LJPAAEUJXYUXAI-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216086;MM216086;CC=CCC#CCCN;XNEMQADWZPZUAN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216087;MM216087;CC=CCC#CCCO;NMYMLHOCYIRXEY-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216088;MM216088;CC=CCC#CCCF;CONUKPOMNDYEHM-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216089;MM216089;CCCC#CCC=CF;CRKFXUBXGDLNEE-UHFFFAOYSA-N;126.17;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216090;MM216090;NCCC#CCC=CF;PWIAVFAWQAXSCS-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216091;MM216091;CC=CCC#CCNC;HEPPRDMMKINVNW-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216092;MM216092;CNCC#CCC=CF;XXPBOSOTUOTPLU-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216093;MM216093;CC=CCC#CCOC;FEMRQIBFBVTOFN-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216094;MM216094;CCCC#CCC=NN;UGKCNNYJEDYLKT-UHFFFAOYSA-N;124.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216095;MM216095;C=CC(=O)OC(=N)N(C)O;SZYCJHDYPPNORA-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216096;MM216096;CCCC#CCC=NO;ZTBKDPDJXYUCIY-UHFFFAOYSA-N;125.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216097;MM216097;CNCC#CCC=NN;VLRTXVRVWRCFRC-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216098;MM216098;COCC#CCC=NN;VFWOJNUDRPXLFI-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216099;MM216099;C=CCC#CCC=CC;RSBYGMBTXPPSBJ-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216100;MM216100;CC=CCC#CCC=O;OSSKMYUINCAYHA-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216101;MM216101;CC=CCC#CCC#N;OWEXVQNLIJFJPA-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216102;MM216102;C=CCC#CCC=CF;CMQZVFAJHIVSRZ-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216103;MM216103;O=CCC#CCC=CF;ATOZVFOPNFWDSU-UHFFFAOYSA-N;126.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216104;MM216104;C=CCC#CCC=NN;XMUHMANGCVFHCU-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216105;MM216105;C=CCC#CCC=NO;XNDJRFSSIZYYNI-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216106;MM216106;O=CCC#CCC=NO;OSCZOVLBDHKWHW-UHFFFAOYSA-N;125.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216107;MM216107;N#CCC#CCC=NO;DSZNLWWTVBIDGO-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216108;MM216108;C#CCC#CCC=CC;DTTNXUPDOFHPMW-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216109;MM216109;C#CCC#CCC=CF;HQLGQGNUDOIQHQ-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216110;MM216110;C#CCC#CCC=NN;BFVDMRDPSPYYJE-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216111;MM216111;C#CCC#CCC=NO;JGFPDNLZSNAOCC-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216112;MM216112;CC=CC#CCC=CC;TVMBCCDQNKVDFC-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216113;MM216113;CC=CCC#CC=CF;MEPAKSGOCXAADB-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216114;MM216114;CC=CC#CCC=CF;FHTFIAGNGYZFKN-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216115;MM216115;FC=CC#CCC=CF;QPCBMNYHBKLJPG-UHFFFAOYSA-N;128.12;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216116;MM216116;CC=CCC#CC=NN;NVBSPGXTGUKUID-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216117;MM216117;CC=CCC#CC=NO;YGZYWXVVCXNTLN-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216118;MM216118;CC=CC#CCC=NN;ZSNWDZFIDTZKNM-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216119;MM216119;CC=CC#CCC=NO;AYGSKRJGBFYKIT-UHFFFAOYSA-N;123.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216120;MM216120;ON=CCC#CC=CF;WNZLPTKDPMJKKX-UHFFFAOYSA-N;127.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216121;MM216121;CC#CC#CCC=CC;AYWQGHIGSPEWAX-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216122;MM216122;CC#CC#CCC=CF;LHUGXEBCWQAUFX-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216123;MM216123;CC#CC#CCC=NN;ULTMVQPBESOSOT-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216124;MM216124;CC#CC#CCC=NO;UFAOJOZAKIXKAG-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216125;MM216125;CC#CCC#CCCC;JJARJMPZSQQGLE-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216126;MM216126;CC#CCC#CCCN;QEAMWAJNSFHZJE-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216127;MM216127;CC#CCC#CCCO;BUZMUNXHSSAEME-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216128;MM216128;CC#CCC#CCCF;MMZUXPPAZBKAEY-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216129;MM216129;CC#CCC#CCNC;JJEVNOFCGBJOKM-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216130;MM216130;CC#CCC#CCOC;QMDPWTWFNGJQHK-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216131;MM216131;C=CCC#CCC#CC;JCZKKDGSTIECCM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216132;MM216132;CC#CCC#CCC=O;BWYCUTIEVNUASV-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216133;MM216133;C#CCC#CCC#CC;NZCKFMAKNRXUNI-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216134;MM216134;CC#CCC#CC=CC;ZWTFMAXLZDZBAO-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216135;MM216135;CC#CCC#CC=CF;GNSLOHJGURZXBM-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216136;MM216136;CC#CCC#CC=NN;SRHSBIAMUHIJMR-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216137;MM216137;CC#CCC#CC=NO;QYHBTOPNNNBRAD-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216138;MM216138;CC#CC#CCC#CC;PCJORYXSQWKNJQ-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216139;MM216139;CCC=CC#CCCC;OCATXWGBWWSZGS-UHFFFAOYSA-N;122.21;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216140;MM216140;CCC=CC#CCCN;IVBVZBXNFYGTNM-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216141;MM216141;CCC=CC#CCCO;PPTKFCLVCZHYEH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216142;MM216142;CCC=CC#CCCF;QPVHPKZZCWMVBW-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216143;MM216143;CCCC#CC=CCN;LUXGVBLTHFWCFV-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216144;MM216144;CCCC#CC=CCO;SYVHKRUNHCMTTH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216145;MM216145;CCCC#CC=CCF;RIBLIJSWRDIMOO-UHFFFAOYSA-N;126.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216146;MM216146;NCCC#CC=CCF;PJFYSBMSRJGZPK-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216147;MM216147;FCC=CC#CCCF;BVWRLZPFLONFOK-UHFFFAOYSA-N;130.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216148;MM216148;CCC=CC#CCNC;CYWZOZPDNUTXDI-UHFFFAOYSA-N;123.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216149;MM216149;COCC#CC=CCN;XTDXSMYVJHCCHT-UHFFFAOYSA-N;125.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216150;MM216150;COCC#CC=CCF;CFUWDWRUTDYBAS-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216151;MM216151;CCCC#CC=COC;YTQKIXLYPDMTIS-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216152;MM216152;COC=CC#CCCN;UUCFZXRWXDMYJU-UHFFFAOYSA-N;125.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216153;MM216153;COC=CC#CCCO;RISILFXWCRFPJP-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216154;MM216154;COC=CC#CCOC;BLJBUXVHHYOWBI-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216155;MM216155;CCCC#CC=NNC;KYABRIZXMDFZKF-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216156;MM216156;CCCC#CC=NOC;TXLKPNSOHDDSLC-UHFFFAOYSA-N;125.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216157;MM216157;CNCC#CC=NOC;SBTUVODKONMXSP-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216158;MM216158;COCC#CC=NOC;FKDOGEMZYHBKRE-UHFFFAOYSA-N;127.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216159;MM216159;C=CCC#CC=CCC;JBPZXMPGBNWRHT-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216160;MM216160;CCC=CC#CCC=O;CDQVPBQNMFHSSS-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216161;MM216161;CCC=CC#CCC#N;MKCZNHASBSTOTO-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216162;MM216162;C=CCC#CC=CCN;UOCQHBQBJNIQHA-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216163;MM216163;C=CCC#CC=CCO;SLSMLBMKIHWATA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216164;MM216164;N#CCC#CC=CCO;MLHXWVYHFNZBIQ-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216165;MM216165;C=CCC#CC=CCF;CSMNTBJIVDFJJR-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216166;MM216166;N#CCC#CC=CCF;UTRIZKABIDZEEK-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216167;MM216167;C=CCC#CC=COC;LHTHAPBJKZBKTE-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216168;MM216168;COC=CC#CCC#N;XNFOTIOBZVUTJB-UHFFFAOYSA-N;121.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216169;MM216169;C=C(C)C(O)CC(C)=NN;MEQZJSDFGYELLU-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216170;MM216170;C=CCC#CC=NOC;NRHOZQGXPCFIQE-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216171;MM216171;NC(=O)N(N)C=C(F)CF;FMXXBMXDQDMQRN-UHFFFAOYSA-N;151.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216172;MM216172;CON=CC#CCC#N;WKPJQFBYEWMFIU-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216173;MM216173;C#CCC#CC=CCC;AQSQTQWOEDNDIA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216174;MM216174;C#CCC#CC=CCN;BPLFJDJBGYGCCD-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216175;MM216175;C#CCC#CC=CCO;OKFDXBMIFLWHAU-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216176;MM216176;C#CCC#CC=CCF;VERCPRXRMWXGSF-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216177;MM216177;C#CCC#CC=COC;UJWROZICEIXXDV-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216178;MM216178;C#CCC#CC=NOC;WOWKBFPDBATJJW-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216179;MM216179;C=CC=CC#CCCC;RPFFRRDQASMXNX-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216180;MM216180;C=CC=CC#CCCN;UAOUENLUTIKMCA-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216181;MM216181;C=CC=CC#CCCO;ILQCSGFTSXPSIF-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216182;MM216182;C=CC=CC#CCCF;OSVKCJWZJZBHQQ-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216183;MM216183;CCCC#CC=CC=O;GJROOCMDMJXPGO-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216184;MM216184;CCCC#CC=CC#N;SRASDUTXJZZKGZ-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216185;MM216185;N#CC=CC#CCCO;JFZAQBCSQGBKNE-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216186;MM216186;N#CC=CC#CCCF;HJRLSQGJEWKHEI-UHFFFAOYSA-N;123.13;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216187;MM216187;C=CC=CC#CCNC;JHSKHBDTCOBRON-UHFFFAOYSA-N;121.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216188;MM216188;CNCC#CC=CC=O;AOLRAYMPPHXCCO-UHFFFAOYSA-N;123.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216189;MM216189;C=CC=CC#CCOC;ZNTGJCYIDJHXNX-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216190;MM216190;COCC#CC=CC=O;WFUQORLYIAHBGM-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216191;MM216191;COCC#CC=CC#N;NHXIAWRAGPXKRJ-UHFFFAOYSA-N;121.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216192;MM216192;C=NN=CC#CCCC;SZHNDVVGLKTCOL-UHFFFAOYSA-N;122.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216193;MM216193;C=NN=CC#CCCN;SGOLRUKWADWLSJ-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216194;MM216194;C=NN=CC#CCCO;IPAQWAADWANCJR-UHFFFAOYSA-N;124.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216195;MM216195;C=NN=CC#CCCF;ZIXRBIGDSVTRTI-UHFFFAOYSA-N;126.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216196;MM216196;C=NN=CC#CCOC;DQDMBCVIWBHXKW-UHFFFAOYSA-N;124.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216197;MM216197;C=CC=CC#CCC=C;QLRGDTXZTLJASL-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216198;MM216198;C=CC=CC#CCC=O;NEGNXANDPDIURP-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216199;MM216199;C=CC=CC#CCC#N;MIQMIHGLEWURJA-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216200;MM216200;C=CCC#CC=CC=O;OTSXPNTWBKLIHX-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216201;MM216201;C=CCC#CC=CC#N;QIAOXUVXNAWOAK-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216202;MM216202;O=CC=CC#CCC=O;UXLQUAGIEVQKNW-UHFFFAOYSA-N;122.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216203;MM216203;N#CC=CC#CCC=O;DXSNXMVLBAMNFA-UHFFFAOYSA-N;119.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216204;MM216204;C=CCC#CC=NN=C;QLLJVIYOWSWPSL-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216205;MM216205;C=NN=CC#CCC#N;JBLBHCCYAOGHKN-UHFFFAOYSA-N;119.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216206;MM216206;C#CCC#CC=CC=C;NVZNYXOASJGFAC-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216207;MM216207;C#CCC#CC=CC=O;KBGMWLNXIPROBJ-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216208;MM216208;C#CCC#CC=CC#N;LYHPVXRPSSMCLL-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216209;MM216209;C#CCC#CC=NN=C;ZARWHHZWTJEBKM-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216210;MM216210;C#CC=CC#CCCC;BWQRARQCPIAUCZ-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216211;MM216211;C#CC=CC#CCCN;LMKIBHWOZSVMDT-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216212;MM216212;C#CC=CC#CCCO;HSMXMPBVHPLRGD-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216213;MM216213;C#CC=CC#CCCF;RLNFXCPQSVZWEP-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216214;MM216214;C#CC=CC#CCOC;FOLKGCCBNRTDKT-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216215;MM216215;C#CC=CC#CCC=C;FNPSOBZNNTVSLV-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216216;MM216216;C#CC=CC#CCC=O;HICYNTZQISKXAS-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216217;MM216217;C#CC=CC#CCC#N;IZNKMVSJLCZLLN-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216218;MM216218;C#CC=CC#CCC#C;KGNXUTDTWJZKCK-UHFFFAOYSA-N;114.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216219;MM216219;CC=CC#CC=CCC;MNILKZHJPIBXMY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216220;MM216220;CCC=CC#CC=CF;CNLWBVSTNKYOJB-UHFFFAOYSA-N;124.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216221;MM216221;CC=CC#CC=CCN;UWPUDEKDQSDGSX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216222;MM216222;CC=CC#CC=CCO;AIXOXFAYRRMOHJ-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216223;MM216223;CC=CC#CC=CCF;IBUFDTOXPREPNG-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216224;MM216224;CCC=CC#CC=NN;FLKPNVWQWFEGNJ-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216225;MM216225;NN=CC#CC=CCF;LHBJADWBGUOJED-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216226;MM216226;ON=CC#CC=CCF;WDHYLYGEQNVLEK-UHFFFAOYSA-N;127.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216227;MM216227;CC=CC#CC=COC;OODQYPKXNOAOOV-UHFFFAOYSA-N;122.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216228;MM216228;COC=CC#CC=NO;NKFBCBUBTQTUNW-UHFFFAOYSA-N;125.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216229;MM216229;CC=CC#CC=NNC;PCFQXZUKOUNAFG-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216230;MM216230;CNN=CC#CC=CF;ACGQLKAMPXAGGM-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216231;MM216231;CC=CC#CC=NOC;REIZEHXFSCNDJQ-UHFFFAOYSA-N;123.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216232;MM216232;C=CC=CC#CC=CC;VQIRVZDDYWOPNN-UHFFFAOYSA-N;118.18;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216233;MM216233;C=CC=CC#CC=CF;XIRLPPGPQPUZDP-UHFFFAOYSA-N;122.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216234;MM216234;CC=CC#CC=CC=O;GMTADVHFBBPIEV-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216235;MM216235;CC=CC#CC=CC#N;OITVYVWIFKYBMU-UHFFFAOYSA-N;117.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216236;MM216236;O=CC=CC#CC=CF;FVZBBIPRPYUNLT-UHFFFAOYSA-N;124.11;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216237;MM216237;C=CC=CC#CC=NN;SWFVOAFZVHVAEE-UHFFFAOYSA-N;120.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216238;MM216238;C=CC=CC#CC=NO;LZNNSWKTUDKLIG-UHFFFAOYSA-N;121.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216239;MM216239;O=CC=CC#CC=NO;GQFFNGVSMQSGEP-UHFFFAOYSA-N;123.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216240;MM216240;C=NN=CC#CC=CC;AOLZSJGRPYWNHI-UHFFFAOYSA-N;120.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216241;MM216241;C=NN=CC#CC=NN;YCWDHOGBHFAVSF-UHFFFAOYSA-N;122.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216242;MM216242;C=NN=CC#CC=NO;CFJKOTFRLJTKCB-UHFFFAOYSA-N;123.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216243;MM216243;C#CC=CC#CC=CC;AOPUOOJTDFSPES-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216244;MM216244;C#CC=CC#CC=CF;FJLADAVVFCGNGL-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216245;MM216245;C#CC=CC#CC=NO;PZPCWXNSNLLVDJ-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216246;MM216246;CC#CC#CC=CCC;VBDVACCNVMJVGL-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216247;MM216247;CC#CC#CC=CCN;ZXMMARCNOAQUKD-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216248;MM216248;CC#CC#CC=CCO;SGTRDPMUVCINEU-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216249;MM216249;CC#CC#CC=CCF;DURQPEZRIVOISE-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216250;MM216250;CC#CC#CC=COC;SDWHYRHMOHMFPU-UHFFFAOYSA-N;120.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216251;MM216251;CC#CC#CC=NNC;YLJZQTQBSWMSCQ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216252;MM216252;CC#CC#CC=NOC;PSLSJBCUDYIRGE-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216253;MM216253;C=CC=CC#CC#CC;ZWYRVSDFLJXNPH-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216254;MM216254;CC#CC#CC=CC=O;PIZCMCRBPWRHKM-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216255;MM216255;C=NN=CC#CC#CC;LOBKQHSXRZIWCZ-UHFFFAOYSA-N;118.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216256;MM216256;CCC#CC#CCCC;CSPPPXQLLNDWIT-UHFFFAOYSA-N;120.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216257;MM216257;CCC#CC#CCCN;UMHKSESXAKTLIH-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216258;MM216258;CCC#CC#CCCO;YFBFKTPUNNZYIE-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216259;MM216259;CCC#CC#CCCF;JYSKKUHQPHCVBT-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216260;MM216260;CCCC#CC#CCN;DCXQQDPBUVLCSU-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216261;MM216261;NCC#CC#CCCF;LMIVUDJWQIVWQG-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216262;MM216262;CCCC#CC#CCO;PUNKSSQRCRFUER-UHFFFAOYSA-N;122.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216263;MM216263;OCC#CC#CCCF;DHLRLQMUWNSRGN-UHFFFAOYSA-N;126.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216264;MM216264;CCCC#CC#CCF;UYSXLENFANWQQQ-UHFFFAOYSA-N;124.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216265;MM216265;NCCC#CC#CCF;JLIGOBMZAUQXAX-UHFFFAOYSA-N;125.15;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216266;MM216266;OCCC#CC#CCF;DZPVWDSVDIPMPU-UHFFFAOYSA-N;126.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216267;MM216267;FCC#CC#CCCF;YPAKOSRRNJNAGW-UHFFFAOYSA-N;128.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216268;MM216268;CCC#CC#CCNC;VGVCXQKOHUDVQM-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216269;MM216269;CNCC#CC#CCF;LHZCDDUMAGIUKO-UHFFFAOYSA-N;125.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216270;MM216270;CCC#CC#CCOC;IREIGOZUTJIWOM-UHFFFAOYSA-N;122.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216271;MM216271;COCC#CC#CCN;FUTGOKPVWKUISE-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216272;MM216272;COCC#CC#CCO;PCWLGGXUFJARFU-UHFFFAOYSA-N;124.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216273;MM216273;COCC#CC#CCF;MSPOYJDFZDQSQI-UHFFFAOYSA-N;126.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216274;MM216274;C=CCC#CC#CCC;NXPNHZCWSLTJDA-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216275;MM216275;CCC#CC#CCC=O;JSTKDVNRIIYQNY-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216276;MM216276;CCC#CC#CCC#N;YQPHMPFUYYPRHI-UHFFFAOYSA-N;117.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216277;MM216277;O=CCC#CC#CCO;GHBHLTWDUYTHLL-UHFFFAOYSA-N;122.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216278;MM216278;C=CCC#CC#CCF;KLOSQLSBANURAU-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216279;MM216279;O=CCC#CC#CCF;KEWIKUAKOSEUOO-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216280;MM216280;N#CCC#CC#CCF;CZHHKELGSYVLIR-UHFFFAOYSA-N;121.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216281;MM216281;C#CCC#CC#CCC;HVXBUHGQCRGTOI-UHFFFAOYSA-N;116.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216282;MM216282;C#CCC#CC#CCO;IPPCXDFRBZJZBP-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216283;MM216283;C#CCC#CC#CCF;JZFIQRMFAGGXCP-UHFFFAOYSA-N;120.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216284;MM216284;C=CC#CC#CCCC;LBCZMSOLMRGUMN-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216285;MM216285;C=CC#CC#CCCN;VOBUZKNQOUVSDA-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216286;MM216286;C=CC#CC#CCCO;AGWFAJXETXIOEE-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216287;MM216287;C=CC#CC#CCCF;IOWHBLZTVHNLBU-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216288;MM216288;CCCC#CC#CC=O;MBGPKBJZTZHFKR-UHFFFAOYSA-N;120.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216289;MM216289;O=CC#CC#CCCF;CXBCHAIQBLMIDL-UHFFFAOYSA-N;124.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216290;MM216290;CNCC#CC#CC=O;RTPCSOZLPQUJJS-UHFFFAOYSA-N;121.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216291;MM216291;C=CC#CC#CCOC;CENLJDDJXABRDS-UHFFFAOYSA-N;120.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216292;MM216292;COCC#CC#CC=O;NIHIWZIRYYMLQB-UHFFFAOYSA-N;122.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216293;MM216293;COCC#CC#CC#N;KKQWNFYKUFRJGW-UHFFFAOYSA-N;119.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216294;MM216294;C=CC#CC#CCC=C;GEWWYPVWHDBLPA-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216295;MM216295;C=CC#CC#CCC=O;XZGJASTWRYFJSI-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216296;MM216296;C=CC#CC#CCC#N;NBYABMWWAQTWCQ-UHFFFAOYSA-N;115.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216297;MM216297;O=CC#CC#CCC=O;VJMOEWVUJVYAGS-UHFFFAOYSA-N;120.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216298;MM216298;N#CCC#CC#CC=O;YBUXZUPTTPDMFK-UHFFFAOYSA-N;117.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216299;MM216299;C#CCC#CC#CC=O;WTVCUMLXMAXBJY-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216300;MM216300;C#CC#CC#CCCF;FBZUSHQDZFLSOU-UHFFFAOYSA-N;120.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216301;MM216301;C#CC#CC#CCOC;MVYXDKPOQSYKNR-UHFFFAOYSA-N;118.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216302;MM216302;CC=CC#CC#CCC;QKSKEXOWXUTVPR-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216303;MM216303;CCC#CC#CC=CF;GLRLCISBLYJVMW-UHFFFAOYSA-N;122.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216304;MM216304;CC=CC#CC#CCN;LJLDJPFLGNOJCN-UHFFFAOYSA-N;119.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216305;MM216305;NCC#CC#CC=CF;JTKZQKQDDOPQDO-UHFFFAOYSA-N;123.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216306;MM216306;CC=CC#CC#CCO;KIQMNHYNDICVNQ-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216307;MM216307;OCC#CC#CC=CF;WAQYNLQFIDOWRC-UHFFFAOYSA-N;124.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216308;MM216308;CC=CC#CC#CCF;YPRBXOVVESQJDV-UHFFFAOYSA-N;122.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216309;MM216309;FC=CC#CC#CCF;LYVTWXDDKSJFQB-UHFFFAOYSA-N;126.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216310;MM216310;CCC#CC#CC=NN;KPNKHZQFEHDKPM-UHFFFAOYSA-N;120.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216311;MM216311;CCC#CC#CC=NO;NGEWJNQTLRKOGP-UHFFFAOYSA-N;121.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216312;MM216312;NN=CC#CC#CCF;KAIAWBKDGKUVMO-UHFFFAOYSA-N;124.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216313;MM216313;ON=CC#CC#CCF;DBWBUFMZAARENP-UHFFFAOYSA-N;125.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216314;MM216314;C=CC#CC#CC=CC;DGVUTUMVXXCIKY-UHFFFAOYSA-N;116.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216315;MM216315;C=CC#CC#CC=CF;RQXWBGUMOIBHGU-UHFFFAOYSA-N;120.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216316;MM216316;CC=CC#CC#CC=O;PJXZDFKKUHBMNE-UHFFFAOYSA-N;118.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216317;MM216317;O=CC#CC#CC=CF;HHJKXCNAHPCEHN-UHFFFAOYSA-N;122.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216318;MM216318;C=CC#CC#CC=NO;BBIUKPGSYBHWOO-UHFFFAOYSA-N;119.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216319;MM216319;C#CC#CC#CC=CF;FXANCSOLEUGDJW-UHFFFAOYSA-N;118.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216320;MM216320;CC#CC#CC#CCO;CDDRQTICNABTAT-UHFFFAOYSA-N;118.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216321;MM216321;CC#CC#CC#CCF;FOXHXQHSWYIREO-UHFFFAOYSA-N;120.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216322;MM216322;CC#CC#CC#CC=O;CBRJCBHBSCDIOS-UHFFFAOYSA-N;116.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216323;MM216323;C=CC1C(C)CC1CC;MLXUVUSYTJHHFT-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216324;MM216324;C#CC1C(N)CC1CN;SEANMLUXHXXTHL-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216325;MM216325;C#CC1C(C)NC1CC;XGBQWGSCEOLYJZ-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216326;MM216326;C#CC1C(C)CC1C=C;NAJXOBZBKBJBMB-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216327;MM216327;CN(C)C=NOC(=N)NO;YPKVCZCXAKDZDF-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216328;MM216328;CC=C1CCNCC1C;IDLCWMDJLAKTMB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216329;MM216329;CC=C1CCOCC1C;XXKCYFREYAEUER-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216330;MM216330;NN=c1occoc1=O;SFYQSIGGFSGEFJ-UHFFFAOYSA-N;128.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216331;MM216331;O=c1occoc1=NO;IVAQSKVMKUWOHN-UHFFFAOYSA-N;129.07;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216332;MM216332;CN(N)C=NOC(=N)NO;NHWHNFHYVNHHSI-UHFFFAOYSA-N;147.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216333;MM216333;O=c1oncoc1=NO;FEDWYSSUILKJDQ-UHFFFAOYSA-N;130.06;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216334;MM216334;CC(C)=NOCC(=O)CF;PCBWVOKGTZEACU-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216335;MM216335;O=c1ocnoc1=NO;NCAVMUPPSIJXER-UHFFFAOYSA-N;130.06;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216336;MM216336;NN=c1onnoc1=O;FGOWHNJIUICISP-UHFFFAOYSA-N;130.06;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216337;MM216337;O=c1onnoc1=NO;MJKOTPKKDRTIBZ-UHFFFAOYSA-N;131.05;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216338;MM216338;Cn1oc(F)c(O)c1=O;CTEYQDGIGQCQPR-UHFFFAOYSA-N;133.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216339;MM216339;CCn1oc(=NO)[nH]c1=O;DVQCELNYBRUHAF-UHFFFAOYSA-N;145.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216340;MM216340;Cn1oc(=NO)[nH]c1=O;WZPJNJWYRSHNJK-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216341;MM216341;O=c1onnc(F)c1O;SYWAGSXDDSAQJH-UHFFFAOYSA-N;132.05;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216342;MM216342;COc1nc(=O)cn[nH]1;SRSVZVWIDLQQPF-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216343;MM216343;N=C(NO)OC(=O)CCO;OHPOGQHSIODLLS-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216344;MM216344;C=CC(O)C=C(C)C=NN;GSCXXCRCSLJROK-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216345;MM216345;Nc1nocnc1=NO;JUXHIMSOYIOJQG-UHFFFAOYSA-N;128.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216346;MM216346;Nc1cn(O)nc1O;RGENYXKSFNJXTO-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216347;MM216347;C#CC(=NO)C(C)(F)C#C;AEPQPIMIRQFDBB-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216348;MM216348;ON=CC(F)C#CCF;VCBHWMHRHHWGMY-UHFFFAOYSA-N;133.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216349;MM216349;CCc1nnn(C)c1O;WESORPYGKZDHKR-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216350;MM216350;CCn1ccncc1=N;YOALLTFAGVNHKQ-UHFFFAOYSA-N;123.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216351;MM216351;CCn1ccncc1=O;FPRZAXXFOIUVAW-UHFFFAOYSA-N;124.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216352;MM216352;CNn1ccncc1=O;FROVSZZSKPVOKU-UHFFFAOYSA-N;125.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216353;MM216353;COn1ccncc1=O;DAEZBCQUTTXSFU-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216354;MM216354;CNn1cnncc1=O;NMFTYDKVSWNMDX-UHFFFAOYSA-N;126.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216355;MM216355;CCn1ncccc1=O;AIJBBGYRPSBDOR-UHFFFAOYSA-N;124.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216356;MM216356;CNn1ncccc1=O;ODABSAWZAHDAPT-UHFFFAOYSA-N;125.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216357;MM216357;COn1ncccc1=O;BSYYQQCIFIEUQH-UHFFFAOYSA-N;126.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216358;MM216358;CCn1ncncc1=N;HHJZQOTVKPYJEK-UHFFFAOYSA-N;124.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216359;MM216359;CCn1ncncc1=O;NZGXFVBHBWURJB-UHFFFAOYSA-N;125.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216360;MM216360;CNn1ncncc1=N;SUKWVIPFARLULY-UHFFFAOYSA-N;125.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216361;MM216361;CNn1ncncc1=O;QBNIJACFWPNAOV-UHFFFAOYSA-N;126.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216362;MM216362;COn1ncncc1=N;BVEWLPPPSCAERJ-UHFFFAOYSA-N;126.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216363;MM216363;CNn1nnncc1=N;BFEAUPKRAFJCCY-UHFFFAOYSA-N;126.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216364;MM216364;CNn1nnncc1=O;PFEUAKNRKUQBBC-UHFFFAOYSA-N;127.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216365;MM216365;COn1nnncc1=N;AMUMHYTVYZZEMV-UHFFFAOYSA-N;127.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216366;MM216366;COn1nnncc1=O;XVLGLEWALGJNBA-UHFFFAOYSA-N;128.09;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216367;MM216367;C=Cn1ccncc1=N;UHQUTQVEQKJHEF-UHFFFAOYSA-N;121.14;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216368;MM216368;N=c1cnccn1C=O;OHFFCEDTVNPSHB-UHFFFAOYSA-N;123.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216369;MM216369;C=Cn1ccncc1=O;MSPTXYYRFPPNQL-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216370;MM216370;N=Cn1ccncc1=O;NTVWBDOTZAAKJR-UHFFFAOYSA-N;123.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216371;MM216371;O=Cn1ccncc1=O;VNYYDDFDGCIUPD-UHFFFAOYSA-N;124.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216372;MM216372;C=Nn1ccncc1=N;AGTNDCULPMIZEL-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216373;MM216373;C=Nn1ccncc1=O;MBWSKCNKJFGOHV-UHFFFAOYSA-N;123.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216374;MM216374;C=Cn1cnncc1=N;UOVISSWYJZXUFB-UHFFFAOYSA-N;122.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216375;MM216375;N=Cn1cnncc1=N;FBNIQYCNOMFHKL-UHFFFAOYSA-N;123.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216376;MM216376;N=Cn1cnncc1=O;PCTZXIAPPVEEPJ-UHFFFAOYSA-N;124.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216377;MM216377;C=Nn1cnncc1=N;WHEMBOFDKPFTFY-UHFFFAOYSA-N;123.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216378;MM216378;C=Nn1cnncc1=O;SYEZXYFFKPTICO-UHFFFAOYSA-N;124.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216379;MM216379;N=Cn1ncccc1=N;IZKMGBJGZAVWDZ-UHFFFAOYSA-N;122.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216380;MM216380;N=c1cccnn1C=O;VEJAVHQQFWJYCM-UHFFFAOYSA-N;123.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216381;MM216381;C=Cn1ncccc1=O;YPRGCFKFJAQQFV-UHFFFAOYSA-N;122.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216382;MM216382;N=Cn1ncccc1=O;AYMMSEUOKIHUFR-UHFFFAOYSA-N;123.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216383;MM216383;O=Cn1ncccc1=O;ZHWVWWVKIAACGY-UHFFFAOYSA-N;124.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216384;MM216384;C=Nn1ncccc1=N;RHHIXWKZIIEWGL-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216385;MM216385;C=Nn1ncccc1=O;RUUCRXRCVHLUQL-UHFFFAOYSA-N;123.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216386;MM216386;C=Cn1ncncc1=N;YUUWOOCAXNGTMH-UHFFFAOYSA-N;122.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216387;MM216387;N=Cn1ncncc1=N;WOKLTTZXGNXUHM-UHFFFAOYSA-N;123.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216388;MM216388;N=c1cncnn1C=O;FBKOSLZCVUSRTP-UHFFFAOYSA-N;124.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216389;MM216389;C=Cn1ncncc1=O;XKYTWOXNFLCPMM-UHFFFAOYSA-N;123.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216390;MM216390;N=Cn1ncncc1=O;UMRUQMJAEGZXOU-UHFFFAOYSA-N;124.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216391;MM216391;O=Cn1ncncc1=O;UJFZEUOQLHXLCG-UHFFFAOYSA-N;125.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216392;MM216392;C=Nn1ncncc1=N;VEJCAJQAQPIMHJ-UHFFFAOYSA-N;123.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216393;MM216393;C=Nn1ncncc1=O;OHBXTTLLQHIPHV-UHFFFAOYSA-N;124.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216394;MM216394;C=Cn1nnncc1=N;MPWTZHIFOPDMBP-UHFFFAOYSA-N;123.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216395;MM216395;N=Cn1nnncc1=N;WPYXMGPOWDWXEV-UHFFFAOYSA-N;124.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216396;MM216396;C=Nn1nnncc1=N;XVEBPQPKSFFLAQ-UHFFFAOYSA-N;124.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216397;MM216397;C=Nn1nnncc1=O;WZLGAZFAXUSLKW-UHFFFAOYSA-N;125.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216398;MM216398;CN=c1ccccn1C;YTIQFTPTAXWDTB-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216399;MM216399;Cn1ccccc1=NN;AGQSTVBBSLABBN-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216400;MM216400;CN=c1ccccn1N;TXYIEYPTKSHKAI-UHFFFAOYSA-N;123.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216401;MM216401;CC1(O)CC2NC2(CO)C1;QAALDTGLBNOISD-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216402;MM216402;CN=c1ccccn1O;BIABGLGSACFDEW-UHFFFAOYSA-N;124.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216403;MM216403;ON=c1ccccn1O;LDDMIRZAMFXGED-UHFFFAOYSA-N;126.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216404;MM216404;CN=c1ccncn1C;OLRJDYKRNVIUNN-UHFFFAOYSA-N;123.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216405;MM216405;CCCN=CN(O)CC#N;WRPQPFIYPSWBCR-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216406;MM216406;C#CCN=CN(O)CC#N;JNSDJGORKVTVNA-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216407;MM216407;Nn1cnccc1=NO;MJTUKJFAKVXSQC-UHFFFAOYSA-N;126.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216408;MM216408;CC=CC(O)C=CC=NN;GSYXOPTWKFNFGW-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216409;MM216409;ON=c1ccncn1O;VOIOJNCLGNZCHQ-UHFFFAOYSA-N;127.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216410;MM216410;CN=c1ccnnn1C;LBNOSHHIQOMCQY-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216411;MM216411;C=NN=C(C)N(O)CCO;HANZPRIVFIFHJR-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216412;MM216412;Cn1nnccc1=NO;NEJBQHQIWTWPKS-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216413;MM216413;CN=c1ccnnn1N;JUTZFCLPAFNMIN-UHFFFAOYSA-N;125.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216414;MM216414;N#CCNNC(=N)C(N)=O;LOZRYMLMDGALBC-UHFFFAOYSA-N;141.13;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216415;MM216415;Nn1nnccc1=NO;UXCMCKOAFWJULF-UHFFFAOYSA-N;127.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216416;MM216416;N=c1nncc(C(N)=O)o1;YRNPVIDVMRVHJN-UHFFFAOYSA-N;140.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216417;MM216417;N=C(NO)ON=C(N)C=O;BGUKHKKHMOAMAB-UHFFFAOYSA-N;146.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216418;MM216418;CN=c1ncccn1C;ZIRXYOXXJCSBFA-UHFFFAOYSA-N;123.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216419;MM216419;Cn1cccnc1=NN;QNPQDAOBODWQFZ-UHFFFAOYSA-N;124.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216420;MM216420;CN=c1ncccn1N;NGDNKCBVRIISKT-UHFFFAOYSA-N;124.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216421;MM216421;NN=c1ncccn1N;SZHMEKCIZXZDOW-UHFFFAOYSA-N;125.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216422;MM216422;Nn1cccnc1=NO;PGMYHABHDSLOJT-UHFFFAOYSA-N;126.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216423;MM216423;CN=c1ncccn1O;LDVCCRLGOMJWNC-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216424;MM216424;ON=c1ncccn1O;UWCSNXGKLNNNBH-UHFFFAOYSA-N;127.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216425;MM216425;CN=c1ncncn1C;JXQLGEZFSWQXHX-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216426;MM216426;Cn1cncnc1=NO;XEKUNAYRCVFPOW-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216427;MM216427;CN=c1ncncn1N;PAJHRSHMIUNSOD-UHFFFAOYSA-N;125.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216428;MM216428;CC(=NOC(=N)NO)NN;MHPLJFUUVKAUAJ-UHFFFAOYSA-N;147.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216429;MM216429;Nn1cncnc1=NO;FLPSJVFDAIGULH-UHFFFAOYSA-N;127.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216430;MM216430;CCC(O)C1NC1(C)C#N;BSGBHNWQZCPFHA-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216431;MM216431;C#CC1(C)NC1C(O)CC;GTQDOGYMQYHERH-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216432;MM216432;CN=c1nnncn1C;XFWNJZKZJNRHCH-UHFFFAOYSA-N;125.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216433;MM216433;NC(C=O)=NCC1(O)CC1;YDGGHMOMDUNRLJ-UHFFFAOYSA-N;142.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216434;MM216434;Cn1cnnnc1=NO;BGUFTPUSDJZQHY-UHFFFAOYSA-N;127.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216435;MM216435;CN=c1nnncn1N;VYOFITKKZNCRAZ-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216436;MM216436;CNC(=O)ON(C=N)C=N;YXXQGDHSDVGEEI-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216437;MM216437;Nn1cnnnc1=NO;XUWYSGHBOPKKEK-UHFFFAOYSA-N;128.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216438;MM216438;COC(C)OC(=NN)NO;SFAICXKGIVDJPO-UHFFFAOYSA-N;149.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216439;MM216439;CN=C(C#CC(F)F)NO;QMYJVDKCZCKFLK-UHFFFAOYSA-N;148.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216440;MM216440;ON=c1nnncn1O;HBNHZJHABZXQGV-UHFFFAOYSA-N;129.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216441;MM216441;CNN=CN(O)C=CCO;IOQUHIHNNJHGDV-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216442;MM216442;Cn1nccnc1=NO;CNDUAMOJGQKUOF-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216443;MM216443;CN=c1nccnn1N;NFGSJSSNDMEJDO-UHFFFAOYSA-N;125.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216444;MM216444;C#CCNC(=O)N(C)C=N;FKFAHAZPASEGKP-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216445;MM216445;Nn1nccnc1=NO;IZUNNSOEQWCXBH-UHFFFAOYSA-N;127.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216446;MM216446;C#CC(C)N(O)C=NNC;GRLLNHXBQMTMPH-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216447;MM216447;CN=c1ncnnn1C;UOBASGKMPOUBHE-UHFFFAOYSA-N;125.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216448;MM216448;C=NNC=NOC(=N)NO;YOGXLMNNFIRALJ-UHFFFAOYSA-N;145.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216449;MM216449;CN=c1ncnnn1N;SXYJODWPFGGAFL-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216450;MM216450;COCC=NOC(=N)NO;IOGJUUBQPHRLAT-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216451;MM216451;CCOC=NOC(=N)NO;HTENCNLSUBTSAZ-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216452;MM216452;NN=c1ncnnn1O;RCSYFRMRKQTAEQ-UHFFFAOYSA-N;128.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216453;MM216453;CN=c1nncnn1C;IHFIGTNWYIWBLX-UHFFFAOYSA-N;125.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216454;MM216454;C=CNC=NOC(=N)NO;AZVLFVCPUFPDHB-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216455;MM216455;Cn1ncnnc1=NO;KXDUAHXGVMHCGX-UHFFFAOYSA-N;127.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216456;MM216456;CN=c1nncnn1N;NEAZNQHPTMBFIX-UHFFFAOYSA-N;126.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216457;MM216457;N=C(NO)ON=COC=O;JIOOFFJWOQWVOV-UHFFFAOYSA-N;147.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216458;MM216458;Nn1ncnnc1=NO;OFVCPQNSXJMOBH-UHFFFAOYSA-N;128.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216459;MM216459;N=C(NO)ON=CC=NN;OSNUMBHZURZPFB-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216460;MM216460;NN=CC#CCC(F)=CF;FGLFCTQLSDHKRI-UHFFFAOYSA-N;144.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216461;MM216461;ON=c1nncnn1O;WCWFYJGJWDBAAW-UHFFFAOYSA-N;129.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216462;MM216462;C=c1ccccc1=CC;UMOFRKGIUFGXNG-UHFFFAOYSA-N;118.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216463;MM216463;C=c1ccccc1=CF;PMYPNFMCYNVAKR-UHFFFAOYSA-N;122.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216464;MM216464;N=c1cc[nH]oc1=NN;KIJUUXYNUYERIY-UHFFFAOYSA-N;126.12;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216465;MM216465;CN=c1nconc1C;XGBIANJGAMWWHF-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216466;MM216466;OCC=NNCC1(O)CC1;DXYAZNYJLXRVIJ-UHFFFAOYSA-N;144.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216467;MM216467;Cc1nocnc1=NO;DBBTXALUZSGTTO-UHFFFAOYSA-N;127.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216468;MM216468;CN=c1nconc1F;MIZNICUFYAOEGG-UHFFFAOYSA-N;129.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216469;MM216469;C=NOC(CO)C(=C)C=O;HIZNRSMYGCLEBY-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216470;MM216470;C=CC1=CCOCC1C;IUQHKJLBUZPXPB-UHFFFAOYSA-N;124.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216471;MM216471;C=CC1=CC=CCC1C;FAZVJTRUXDQZKS-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216472;MM216472;Oc1n[nH]cc1F;UHRATGVKZWTSJW-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216473;MM216473;Cc1c(O)c(N)nn1O;KTUQGZDVTRPYNT-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216474;MM216474;N=c1cc(F)nc(O)n1O;ILBJCCIXZIUGGZ-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216475;MM216475;C=NN(C)CCCC(=O)O;GMERJVRPADSTFD-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216476;MM216476;C=CC1=C(C)CNCC1;CLJSZWTTXDCBII-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216477;MM216477;C#CC1=C(C)CCCC1;NAIFLKSSUUJGTF-UHFFFAOYSA-N;120.2;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216478;MM216478;CCCCC1CC1CC;RNEGJSGKJQQNEI-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216479;MM216479;CCC1CC1CCCN;KIYYUKQPZIKQKO-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216480;MM216480;CCC1CC1CCCO;WQZBDRXDUYCWTC-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216481;MM216481;CCCCC1CC1CN;SXTBXNNAIXCMLW-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216482;MM216482;NCCCC1CC1CN;YLJYVDVCELXEQS-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216483;MM216483;CNN=C(NO)OCC=O;PPEBYCODZDABPI-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216484;MM216484;NCCCC1CC1CO;WBFPTFBELXJHRB-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216485;MM216485;NCCCC1CC1CF;UXEIVQSHMSOFCT-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216486;MM216486;FCCCC1CC1CF;SLSGZTYPTAIPTR-UHFFFAOYSA-N;134.17;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216487;MM216487;CCC1CC1CCNC;HAROLUCBSBFULM-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216488;MM216488;CNCCC1CC1CN;RIJKLXTXFHVUSH-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216489;MM216489;CNCCC1CC1CO;CXOFPQAZCQCQKA-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216490;MM216490;CCC1CC1CCOC;KDWCYNKRYHRAIL-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216491;MM216491;CCNCC1CC1CC;MYIKCKGTXYWZQY-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216492;MM216492;CCNCC1CC1CN;YBKRDSUKWWDLBW-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216493;MM216493;CCNCC1CC1CO;JRKSXFTVIGOQHU-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216494;MM216494;CCNCC1CC1CF;HVLBWIHVQWOTHD-UHFFFAOYSA-N;131.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216495;MM216495;CCOCC1CC1CC;IQZVHMKYEHWTDO-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216496;MM216496;CCOCC1CC1CN;VVEVTZQDSUDNHF-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216497;MM216497;CCCCC1CC1NC;UVLUYCCOSWRVOL-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216498;MM216498;CNC1CC1CCCN;HLYKXDSRLOUXMU-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216499;MM216499;CNC1CC1CCCO;FDZWTMAICGMBCV-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216500;MM216500;CNC1CC1CCCF;SLUFQZBMOMZSRO-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216501;MM216501;CNCCC1CC1NC;LHNSHGAWAVOIBO-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216502;MM216502;CCOCC1CC1NC;XJCKCYWPGZTWDR-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216503;MM216503;COC1CC1CCCN;QQERKJDRYOXFNT-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216504;MM216504;CNCCC1CC1OC;CSXLCQRKZMJXTK-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216505;MM216505;CCCNC1CC1CC;VFIRRYKZVBYZNI-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216506;MM216506;CCC1CC1NCCN;JTTJEBFRCUXVBX-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216507;MM216507;CCC1CC1NCCO;LETQVPABRIFAOS-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216508;MM216508;CCC1CC1NCCF;CLOALBWQDHSBDV-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216509;MM216509;CCCNC1CC1CN;GWACPGUYIFIGSC-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216510;MM216510;NCC1CC1NCCO;FFJNZVMNGNDDSK-UHFFFAOYSA-N;130.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216511;MM216511;NCC1CC1NCCF;QIDZCVYPIDZPGH-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216512;MM216512;CCCNC1CC1CO;RIBFDPSUNRBAIS-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216513;MM216513;OCCNC1CC1CO;LQCNXVUVPVYHKX-UHFFFAOYSA-N;131.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216514;MM216514;NCCNC1CC1CF;CYBVGMPVZWTESC-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216515;MM216515;OCCNC1CC1CF;IFZANDMJTIKOHT-UHFFFAOYSA-N;133.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216516;MM216516;CCCNC1CC1NC;LADIEYLUGUQBIS-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216517;MM216517;CNC1CC1NCCO;BNPAKXOXQMXDST-UHFFFAOYSA-N;130.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216518;MM216518;CNC1CC1NCCF;YAVULBMYSNGXPO-UHFFFAOYSA-N;132.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216519;MM216519;CCCNC1CC1OC;DRKUOQGXSKALRL-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216520;MM216520;CCCOC1CC1CC;KYEVDZILRGKYOM-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216521;MM216521;CCC1CC1OCCN;NTEFNOGRROICBC-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216522;MM216522;CCC1CC1OCCO;FBUHBMVYAYFVNG-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216523;MM216523;CCCOC1CC1CN;GCMBFLMGOPKSKT-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216524;MM216524;NCCOC1CC1CN;HVBXDYTVTIBPSR-UHFFFAOYSA-N;130.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216525;MM216525;NCC1CC1OCCO;ABHDIMBBQLWKEJ-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216526;MM216526;NCCOC1CC1CO;BFCOORUAKHKLPG-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216527;MM216527;CCCOC1CC1CF;JVSLJUBVAAZEMR-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216528;MM216528;NCCOC1CC1CF;BFWCVGNTSNYZQB-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216529;MM216529;CCCOC1CC1NC;IMFPIZZJOJAKCG-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216530;MM216530;CNC1CC1OCCO;OOVOJVJMUOLHOX-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216531;MM216531;CNC1CC1OCOC;FUTALPXLXHRQBX-UHFFFAOYSA-N;131.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216532;MM216532;CCCOC1CC1OC;UPMMWIVWSDLPFH-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216533;MM216533;COC1CC1OCCN;QUIJEZKMOYBULL-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216534;MM216534;CCC1NC1CCCN;UTPBIDYFNVXSCP-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216535;MM216535;CCCCC1NC1CN;JNNURSDODAPPQX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216536;MM216536;NCCCC1NC1CN;PXOQZMHJDQKLNQ-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216537;MM216537;NCCCC1NC1CO;JMWLDEHARSDRGZ-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216538;MM216538;CCC1NC1CCNC;UMIVIXYJRKFWFH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216539;MM216539;CCNCC1NC1CC;ODFCNRSOKYHVRX-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216540;MM216540;CCNCC1NC1CN;CHLDPCKKGHIXOF-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216541;MM216541;CCNCC1NC1CF;YCYIWILLDCJHMT-UHFFFAOYSA-N;132.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216542;MM216542;CNN=C(NO)OC=NN;KXHYQBNCXMBGNX-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216543;MM216543;CCOCC1NC1CF;OVMMZESLMKSIHZ-UHFFFAOYSA-N;133.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216544;MM216544;CCCCC1OC1CC;QKHUXWLXTLMABH-UHFFFAOYSA-N;128.22;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216545;MM216545;CCC1OC1CCCN;NRENAVFBIYWNRW-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216546;MM216546;CCCCC1OC1CN;FUPILNHIQXNRTL-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216547;MM216547;NCCCC1OC1CN;MEZQLHVTHUUHIZ-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216548;MM216548;NCC1OC1CCCF;ADUWTBCMUSQUJU-UHFFFAOYSA-N;133.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216549;MM216549;CCCCC1OC1CO;VJHAPKJZBOYGOD-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216550;MM216550;OCCCC1OC1CO;BOOYISCDYRKFHV-UHFFFAOYSA-N;132.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216551;MM216551;OCCCC1OC1CF;UXSPLWBKDKACBV-UHFFFAOYSA-N;134.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216552;MM216552;CCC1OC1CCNC;YKNKKDHAUDOGJD-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216553;MM216553;CCNCC1OC1CC;OLPWSKVXULKOMB-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216554;MM216554;CCOCC1OC1CC;FJYKEDHJKBCRKJ-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216555;MM216555;CCOCC1OC1CN;IMEZECPBLCNJOL-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216556;MM216556;CCOCC1OC1CO;BRQJGWIMZMVSGX-UHFFFAOYSA-N;132.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216557;MM216557;CCOCC1OC1CF;JPAYSCJBHFCAGS-UHFFFAOYSA-N;134.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216558;MM216558;CCN1CC1CCCN;UXYWSACKQZEIBX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216559;MM216559;CCN1CC1CCNC;RXIUSWKGYMQTTR-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216560;MM216560;CCNCC1CN1CC;YGLKZYWWGOEOPD-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216561;MM216561;CCOCC1CN1CC;CWVIUKVMPACYCX-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216562;MM216562;CCC1CN1CCCN;YQODOUSBKPHTEN-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216563;MM216563;CCCCN1CC1CN;FSWAVVFJAHHFCX-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216564;MM216564;NCCCN1CC1CN;MVNAOZLSVROYFM-UHFFFAOYSA-N;129.21;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216565;MM216565;NCCCN1CC1CO;DBKAAOKQCPQHPQ-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216566;MM216566;CC=NN=C(NO)OCC;XFIBKEGORJBTNU-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216567;MM216567;C=CCCC1CC1CC;ZTPDDXOUJVYPPO-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216568;MM216568;CCC1CC1CCC=O;SGXJZGBPNNHIRX-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216569;MM216569;CCC1CC1CCC#N;KKGFTJUHGHAZAY-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216570;MM216570;C=CCCC1CC1CN;LYSHVYLVUVORBV-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216571;MM216571;C#CC(C(C)O)N(N)C=O;OQRRHVVBZSMOFB-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216572;MM216572;NN=COC(CF)C(N)=O;ABGIFZHYQXWNBG-UHFFFAOYSA-N;149.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216573;MM216573;Cc1c(C)c(N)n(O)c1C;RIKIXDXZLPILTC-UHFFFAOYSA-N;140.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216574;MM216574;C=CCCC1CC1CF;ZCNKQYAVPSMXNW-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216575;MM216575;N#CCCC1CC1CF;WVPRVJCZBMYSMJ-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216576;MM216576;CCC1CC1CNC=N;UXZNKNZXKXWLIA-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216577;MM216577;N=CNCC1CC1CN;FDPZCZVLPSWCOS-UHFFFAOYSA-N;127.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216578;MM216578;N=CNCC1CC1CO;NWTWDPYBMHDBIW-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216579;MM216579;N=CNCC1CC1CF;JNIUKLJNAUMQSY-UHFFFAOYSA-N;130.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216580;MM216580;C=NNCC1CC1CC;ILCSNBXAEGKGTK-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216581;MM216581;C=NNCC1CC1CN;UGQMTQGTFBSWBF-UHFFFAOYSA-N;127.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216582;MM216582;CCC(CO)ON=CNO;VVCZRDOMYNUOSB-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216583;MM216583;C=NNCC1CC1CF;HUKBJNVDSKLZIK-UHFFFAOYSA-N;130.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216584;MM216584;C=COCC1CC1CN;NEKRRKDNUZPZMK-UHFFFAOYSA-N;127.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216585;MM216585;C=COCC1CC1CO;LYEPCJVHVJLTHT-UHFFFAOYSA-N;128.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216586;MM216586;C=COCC1CC1CF;MATFPUFGTMEZDJ-UHFFFAOYSA-N;130.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216587;MM216587;C=NOCC1CC1CC;YOSCBYGURZNBLU-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216588;MM216588;C=NOCC1CC1CN;LOWWJOQPKSGBSH-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216589;MM216589;C=NOCC1CC1CF;LKYDWRDTTCGSRL-UHFFFAOYSA-N;131.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216590;MM216590;C=CCCC1CC1NC;LRSZWGVDGYNPQT-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216591;MM216591;CNC1CC1CCC#N;JIJKQJAWKNQZQE-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216592;MM216592;CNC1CC1CNC=N;SKLCCGQZCKQAPM-UHFFFAOYSA-N;127.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216593;MM216593;CNC1CC1CNC=O;RWNRBSZEZGZJDS-UHFFFAOYSA-N;128.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216594;MM216594;C=NNCC1CC1NC;DSKSYXSXGCJWQS-UHFFFAOYSA-N;127.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216595;MM216595;C=COCC1CC1NC;KULWEBUQNJDIFQ-UHFFFAOYSA-N;127.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216596;MM216596;C=NOCC1CC1NC;UMBYTUDAOGQMPM-UHFFFAOYSA-N;128.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216597;MM216597;NN=C(NO)OCOC=O;XJQRFEICDMQJKP-UHFFFAOYSA-N;149.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216598;MM216598;C=NNCC1CC1OC;GUEFRCLPRHUROP-UHFFFAOYSA-N;128.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216599;MM216599;C=COCC1CC1OC;PXGNLJUXYFAGLV-UHFFFAOYSA-N;128.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216600;MM216600;C=CCNC1CC1CC;VKHCVDIHPMJKHW-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216601;MM216601;CCC1CC1NCC#N;GTLJMTDTRKNOCE-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216602;MM216602;C=CCNC1CC1CN;KJYGOTHQKNMIOO-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216603;MM216603;N#CC(=CN)OC1CC1O;HKRUMSCISLPLNT-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216604;MM216604;C=CCNC1CC1CF;UUBGTGOIOJRKAU-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216605;MM216605;N#CCNC1CC1CF;XDFWQDMWKRSNQP-UHFFFAOYSA-N;128.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216606;MM216606;CCC1CC1NNC=N;XXKLKFXOKZNLIJ-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216607;MM216607;C=CCNC1CC1NC;CNFBJABFNXOCPY-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216608;MM216608;CNC1CC1NCC=O;DAQMBVGPDUQCTJ-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216609;MM216609;CNC1CC1NCC#N;PBIXZIQCRLSBFZ-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216610;MM216610;CNC1CC1NNC=N;BAIKSROYZMYRCX-UHFFFAOYSA-N;128.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216611;MM216611;CCC1CC1OCC=O;VCPSPEONRINFIJ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216612;MM216612;CCC1CC1OCC#N;WGTQXBDOAKSVRV-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216613;MM216613;C=CCOC1CC1CN;HUFPLHBLKBPWOF-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216614;MM216614;C=CCOC1CC1CF;LJRFQHSCHCSNTM-UHFFFAOYSA-N;130.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216615;MM216615;CNC1CC1OCC#N;KMIYNPSROGXSFE-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216616;MM216616;C=CCOC1CC1OC;ORDVDPDWLNGBCR-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216617;MM216617;COC1CC1OCC#N;PDEYALHMZFBZMD-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216618;MM216618;C=CCCC1NC1CN;AMZUIMACNVYTCV-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216619;MM216619;C=CC(=NN)OC1CC1O;KAZOYRZZIBWEOU-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216620;MM216620;N#CCCC1NC1CF;CAQYGZSKZQMNEK-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216621;MM216621;CCC1NC1CNC=N;HLXBLEDIQYGICT-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216622;MM216622;N=CNCC1NC1CO;VGTPBSBYYRCUGZ-UHFFFAOYSA-N;129.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216623;MM216623;O=COCC1NC1CF;RUHCMQYYGGMGIK-UHFFFAOYSA-N;133.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216624;MM216624;C=NOCC1NC1CC;LJUKGNBXFDDQPJ-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216625;MM216625;C=CCCC1OC1CC;PVSFKLZEGPBMKX-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216626;MM216626;CCC1OC1CCC=O;DLEGNWWMKMKOQK-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216627;MM216627;CCC1OC1CCC#N;PZAHXHASQNUROQ-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216628;MM216628;C=CCCC1OC1CN;SBMVKJQKBWYATB-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216629;MM216629;C=CCCC1OC1CO;OVLPDVLFVFTDIN-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216630;MM216630;N#CCCC1OC1CO;YARSQOBHODDFRE-UHFFFAOYSA-N;127.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216631;MM216631;O=CCCC1OC1CF;MPGKNUQMLNGSNA-UHFFFAOYSA-N;132.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216632;MM216632;N#CCCC1OC1CF;OYLOMMYNBCPDAN-UHFFFAOYSA-N;129.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216633;MM216633;N=CNCC1OC1CF;WKDAUJKJLQIURO-UHFFFAOYSA-N;132.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216634;MM216634;O=CC=C1C=CC(CO)=N1;DOIZXCLXVYVPIF-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216635;MM216635;CCN1CC1CCC#N;AVHUXGODPPUZJH-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216636;MM216636;CCN1CC1CNC=N;WAKWDGFBNWWZJS-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216637;MM216637;N#CC=C1C=CC(CO)=N1;QJVVKXSXWPJSIO-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216638;MM216638;C=NNCC1CN1CC;LJNGPWYULMIAJQ-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216639;MM216639;C=COCC1CN1CC;VBQRLIVQODVYLV-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216640;MM216640;C=NOCC1CN1CC;LLFMVMKWAOMKRU-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216641;MM216641;NN=c1ncn(O)cc1F;UOCWWQALJNNLNE-UHFFFAOYSA-N;144.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216642;MM216642;CCC1CN1CCC#N;XRLKMZIIBNVMOL-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216643;MM216643;N#CC12CC1N=C(NO)O2;VRKCNVCPIVVBSI-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216644;MM216644;N#CCCN1CC1CF;UTJLSSJZNLBLGP-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216645;MM216645;C#CCCC1CC1CC;OGLLZTONMIPFTI-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216646;MM216646;C#CCCC1CC1CN;HFJXYOCINCAJDV-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216647;MM216647;C=CC12CCC(O)C1N2C;NFRLGLXBEWSKOU-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216648;MM216648;C#CCCC1CC1CF;ZDNDIFYBFYBXPP-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216649;MM216649;C#CCCC1CC1NC;KPCQDVCTZMJOBC-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216650;MM216650;C#CCCC1CC1OC;JPHUEHKJDONXME-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216651;MM216651;C#CCNC1CC1CN;YHPHOMFXSNMGAI-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216652;MM216652;C#CCNC1CC1CO;WRFFPMTYTNNSQY-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216653;MM216653;C#CCNC1CC1NC;ISFZCJDIUVBTQD-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216654;MM216654;C#CCOC1CC1CC;CFKXIPITIMTBTJ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216655;MM216655;C#CCOC1CC1CN;DBUOHMLGIRWPNB-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216656;MM216656;C#CCOC1CC1CF;TWGJDYKYMFPMGI-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216657;MM216657;C#CCOC1CC1NC;PJKGSMSREKAQFN-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216658;MM216658;C#CCCC1NC1CN;XROJFPZWPAJQOK-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216659;MM216659;C#CCCC1OC1CC;YLERORFDBGLUBR-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216660;MM216660;C#CCCC1OC1CN;MMEPPJFGZSJJDC-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216661;MM216661;C#CCCC1OC1CO;IPVYSMVVCJAEHI-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216662;MM216662;C#CCCC1OC1CF;NGPKBYQGZHDUKA-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216663;MM216663;C#CCCN1CC1CN;XSLPZPQRDPZUHV-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216664;MM216664;C=C1C(O)CC2(CC)NC12;NSJRUMZTNAFTHA-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216665;MM216665;C=CC1CC1CCCC;OROUOQQBLPHIHQ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216666;MM216666;C=CC1CC1CCCN;VGGQUGWWLLHVKB-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216667;MM216667;C=CC1CC1CCCO;CZBJALJSUFTVMS-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216668;MM216668;CCCCC1CC1C=O;KQPILNRTJUWQMO-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216669;MM216669;CCCCC1CC1C#N;LDESKVTZQLPPFY-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216670;MM216670;O=CC1CC1CCCF;MNKABCZTGCPSPI-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216671;MM216671;N#CC1CC1CCCF;BNSSLXZGPGTBAE-UHFFFAOYSA-N;127.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216672;MM216672;C=CC1CC1CCNC;XKTYWNSBHUYJCE-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216673;MM216673;CNCCC1CC1C=O;ISISQEKYUFYGTJ-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216674;MM216674;CNCCC1CC1C#N;CMVJCNGSMCMCLQ-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216675;MM216675;C=CC1CC1CNCC;CEJWAFWMJVACJY-UHFFFAOYSA-N;125.22;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216676;MM216676;CCNCC1CC1C=O;FKCWFLMVMMDHIB-UHFFFAOYSA-N;127.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216677;MM216677;CCNCC1CC1C#N;PIBLYRCDSDJJTM-UHFFFAOYSA-N;124.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216678;MM216678;CCOCC1CC1C#N;MYPSTIBGHZYSEB-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216679;MM216679;C=CC1CC1NCCC;PDCOCYHSRXRQBU-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216680;MM216680;C=CC1CC1NCCN;MTSYNRMUZZKNCH-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216681;MM216681;C=CC1CC1NCCO;OBGMQOPAAJYMLA-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216682;MM216682;CCCNC1CC1C=O;BZKHVQXAZANKJH-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216683;MM216683;O=CC1CC1NCCO;HFBKUVDGBAUZMZ-UHFFFAOYSA-N;129.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216684;MM216684;C=CC1CC1OCCC;YOZAQSPPGAVLSU-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216685;MM216685;C=CC1CC1OCCN;SKJNEWHZVLWLNQ-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216686;MM216686;CCCOC1CC1C=O;VLLGCJCKFOLDRJ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216687;MM216687;CCCOC1CC1C#N;ILLFZCTXGJIRQR-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216688;MM216688;N#CC1CC1OCCO;CXUIVVFJUJBRQY-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216689;MM216689;C=CC1NC1CCCN;WEERYWGLNQYWKS-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216690;MM216690;CNc1n[nH]c(CO)c1C;KNESUHWSPPSYKG-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216691;MM216691;CCCCC1NC1C#N;HWRHOJPUTFWKHY-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216692;MM216692;C=CC1NC1CCNC;PXIWXUYCVUTOSO-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216693;MM216693;CNCCC1NC1C#N;QNWFRTPWLASKBT-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216694;MM216694;C=CC1NC1CNCC;LAOXSHITEUQJCY-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216695;MM216695;CCNCC1NC1C=O;VKCDUNYUJHSMGF-UHFFFAOYSA-N;128.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216696;MM216696;CCNCC1NC1C#N;KKXWQBXSTVMRRU-UHFFFAOYSA-N;125.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216697;MM216697;C=CC1NC1COCC;GVKVULCFWWBTGU-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216698;MM216698;C=Cn1ncc(CO)c1N;YDMGXNBRRYASFP-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216699;MM216699;CCOCC1NC1C#N;WXKKYTOQSIHWBX-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216700;MM216700;C=CC1OC1CCCC;ZGTDECSFVRQDAW-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216701;MM216701;C=CC1OC1CCCN;DLQAMOPDGHEPIV-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216702;MM216702;C=CC1OC1CCCF;QYFRTDUYAJZEHS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216703;MM216703;CCCCC1OC1C#N;SHDPYPQIJOEPTI-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216704;MM216704;O=CC1OC1CCCO;MFUHUSQWXCOFKT-UHFFFAOYSA-N;130.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216705;MM216705;C=CC1OC1CCNC;ZCPYGOBTYAMZJM-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216706;MM216706;CNCCC1OC1C#N;KYQVPHIMPLJGJB-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216707;MM216707;C=CC1OC1CNCC;JESCYIWCKPXONE-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216708;MM216708;CCNCC1OC1C=O;LZNNRYULCDXYLH-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216709;MM216709;CCNCC1OC1C#N;YCKZYBDUYUHZLB-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216710;MM216710;C=CC1OC1COCC;SZROVWNRQUJJKE-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216711;MM216711;CCOCC1OC1C=O;AVJCLYQCFCYPNT-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216712;MM216712;CCOCC1OC1C#N;IVAATYKVDYJKHO-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216713;MM216713;CCCCC1CN1C=N;MDLBBRPZYLXPNO-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216714;MM216714;N=CN1CC1CCCN;GVGUXPPDTSFPLH-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216715;MM216715;N=CN1CC1CCCO;ATZSKBCMQRUZII-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216716;MM216716;N=CN1CC1CCCF;QTQVWOAMVQNPSX-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216717;MM216717;CCCCC1CN1C=O;RUKKMXLCAYEQMQ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216718;MM216718;O=CN1CC1CCCO;VPLGGDCPFBNYDB-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216719;MM216719;CCOCC1CN1C=N;YDDWGICYFPTMHO-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216720;MM216720;CCOCC1CN1C=O;HZRXQIGRPJKNPF-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216721;MM216721;C=NN1CC1CCCC;UMIOTVCEPVHCRZ-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216722;MM216722;C=NN1CC1CCCN;UZJKKOSCXBAVHJ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216723;MM216723;CNC(=O)C1OC1C=NN;AHISXSXHOVXEBW-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216724;MM216724;C=NN1CC1CCCF;RHEMFAJSZKAIJB-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216725;MM216725;C=NN1CC1CCOC;AYIWSAAPGWAIJP-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216726;MM216726;C=NN1CC1COCC;HZWVAAYNJYYCKF-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216727;MM216727;C=CC1CN1CCCN;ISYACQYWEDMJSU-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216728;MM216728;CCC1=NN=C(NO)OC1;LAGPVYYJXZPXPL-UHFFFAOYSA-N;143.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216729;MM216729;CCOC(=NN)NO;VLTUGWJYORTWNG-UHFFFAOYSA-N;119.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216730;MM216730;CCCCN1CC1C#N;QKVICISLGWWCNG-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216731;MM216731;CNN=C(NO)OC;JZOQQEIKVOODJT-UHFFFAOYSA-N;119.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216732;MM216732;OCC1CN(O)C=N1;AUWKSBQPYQORBG-UHFFFAOYSA-N;116.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216733;MM216733;COCCN1CC1C#N;KFGMHKWLPNDKFJ-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216734;MM216734;C=CCCC1CC1C=C;ZXDXPPUYWLEZGX-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216735;MM216735;C=CC1CC1CCC=O;YUTKJIHDAPGIKO-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216736;MM216736;C=CC1CC1CCC#N;KYOZYEKUYZKJCQ-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216737;MM216737;C=CCCC1CC1C#N;XUIAOFFSUOTBNC-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216738;MM216738;O=CCCC1CC1C=O;HXVXIKRQCGGKBI-UHFFFAOYSA-N;126.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216739;MM216739;N#CCCC1CC1C=O;IJWXPEFNPFRYAX-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216740;MM216740;N#CC1CC1CCC=O;NRHOVPJBLRPOIP-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216741;MM216741;N#CCCC1CC1C#N;RYVZYZOEHBABSK-UHFFFAOYSA-N;120.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216742;MM216742;C=CC1CC1CNC=N;SUZSFARKPJJOFC-UHFFFAOYSA-N;124.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216743;MM216743;CN(C=O)OC(=N)NO;BDLRSKHAEZNONE-UHFFFAOYSA-N;133.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216744;MM216744;N=CNCC1CC1C=O;KEIHMOQFXWEFKS-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216745;MM216745;N#CC1CC1CNC=N;RZIAAQKHXVLOCP-UHFFFAOYSA-N;123.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216746;MM216746;N#CC1CC1CNC=O;QNYHRAIEPOFDRD-UHFFFAOYSA-N;124.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216747;MM216747;C=CC1CC1CNN=C;NQKDMZFNSGVKSW-UHFFFAOYSA-N;124.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216748;MM216748;COC(=NN(C)C)NO;KPWOLECHFFRFRH-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216749;MM216749;C=COCC1CC1C=C;YUVUAEXGZFFYKM-UHFFFAOYSA-N;124.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216750;MM216750;C=CC1CC1COC=O;BLIPBJHCURPLOM-UHFFFAOYSA-N;126.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216751;MM216751;C=COCC1CC1C#N;NXUPVQFPHFWONF-UHFFFAOYSA-N;123.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216752;MM216752;N#CC1CC1COC=O;DCADVRUBKAUQCX-UHFFFAOYSA-N;125.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216753;MM216753;C=CC1CC1CON=C;SEXXFFMCPGZVGR-UHFFFAOYSA-N;125.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216754;MM216754;C=NOCC1CC1C#N;JADBRNUGLFNJEL-UHFFFAOYSA-N;124.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216755;MM216755;C=CCNC1CC1C=C;XCOULNIAKQNNFJ-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216756;MM216756;C=CC1CC1NCC#N;OKNATKFSCFFCEN-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216757;MM216757;C=C(C)C(O)CC=NN;WUTBKGVDKIQXGR-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216758;MM216758;N#CCNC1CC1C#N;SNSPLCFCZYDUEI-UHFFFAOYSA-N;121.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216759;MM216759;C=CC1CC1NNC=N;KOVWHXYPFRYLJA-UHFFFAOYSA-N;125.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216760;MM216760;C=CC1CC1OCC=O;JXCRZNVQLYTXBX-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216761;MM216761;C=CC1CC1OCC#N;XYKQOHFBZWJSFW-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216762;MM216762;C=CCOC1CC1C#N;KJZYTHBEPOGVQL-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216763;MM216763;O=CCOC1CC1C=O;AFZAJKZZZCUIOA-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216764;MM216764;N#CCOC1CC1C#N;VKYXMTPIVSLMLF-UHFFFAOYSA-N;122.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216765;MM216765;C=CC1NC1CCC#N;OXSZVAQCCBDEES-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216766;MM216766;C=NN1CC1(C)C(C)O;VJAOBVNIUGDRHY-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216767;MM216767;C=CCCC1NC1C#N;BNLUWRYAMRCQRX-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216768;MM216768;N=C(NO)ONC=NN;UALJWAMKRZSVPO-UHFFFAOYSA-N;133.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216769;MM216769;CC(=NN)N(O)CCO;AFVVAQDDOBEFAF-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216770;MM216770;CCOC(=NNC)NO;VXZYYOHIRNRBAI-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216771;MM216771;N#CCCC1NC1C#N;DUOITPKFTOTWTP-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216772;MM216772;C=CC1NC1CNC=N;ORRDGYOQZWWAFW-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216773;MM216773;N=CN=C(NO)OC=O;FHYHPRHXRPLHJM-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216774;MM216774;N#CC1NC1CNC=N;OJCWGZASEBCRKQ-UHFFFAOYSA-N;124.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216775;MM216775;C=CC1NC1CNN=C;NLEYPYHSJMNRNK-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216776;MM216776;CCN=C(OC)N(C)O;YEQCWJCGLDUKOG-UHFFFAOYSA-N;132.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216777;MM216777;CC1C(O)CN2CC12C;DHFIIMSRSDMQAV-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216778;MM216778;C=COCC1NC1C=C;FLXNRAJWQJSOOL-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216779;MM216779;C=COCC1NC1C#N;OJKAKLFZKHXLDG-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216780;MM216780;C=NOCC1NC1C#N;XQDKOQWBVAQLBQ-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216781;MM216781;C=CCCC1OC1C=C;CKZLJJFAAOWIJU-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216782;MM216782;C=CC1OC1CCC=O;QPJQCVDESVZRRR-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216783;MM216783;C=CC1OC1CCC#N;BXZPSEYINNCQNK-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216784;MM216784;C=CCCC1OC1C=O;OZMVHESGCACMJN-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216785;MM216785;C=CCCC1OC1C#N;MOZIWJIIWGVLJK-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216786;MM216786;N#CCCC1OC1C=O;GUCMRLZHYKRMCV-UHFFFAOYSA-N;125.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216787;MM216787;C=CC1OC1CNC=N;CXEBENCNUYINHJ-UHFFFAOYSA-N;126.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216788;MM216788;N#CC1OC1CNC=N;MTEPGBDBEIWLLN-UHFFFAOYSA-N;125.13;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216789;MM216789;C=CC1OC1CNN=C;WTPOVGIAOPWYJE-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216790;MM216790;CC=CC(O)CN1CC1;ZSXOGAMDWOLBFS-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216791;MM216791;C=COCC1OC1C=C;ZFCIBFSCGZMWOG-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216792;MM216792;C=COCC1OC1C#N;LBRODMWLUVYEIX-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216793;MM216793;C=CCCC1CN1C=N;SQIKVRQDYZPBKS-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216794;MM216794;N#CCCC1CN1C=N;LDFNACNIKIZNRK-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216795;MM216795;C=CCCC1CN1C=O;RSFQRBCJRKEGJQ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216796;MM216796;CCC1NC(C#N)C1=O;MWXWZGFZMVQVAB-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216797;MM216797;N#CCCC1CN1C=O;UKXQURUEOUCWAJ-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216798;MM216798;N=CN1CC1CNC=O;QDWAZZDKYOAQSN-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216799;MM216799;N=CNCC1CN1C=O;XCJIHZJYBDPMHV-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216800;MM216800;O=CNCC1CN1C=O;WLVSLNBMXXOPJF-UHFFFAOYSA-N;128.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216801;MM216801;C=NNCC1CN1C=N;YQHRSULORWDVJP-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216802;MM216802;C=NNCC1CN1C=O;BYZUUTMWCPXNEB-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216803;MM216803;C=COCC1CN1C=N;DCDYCODHXNEUNH-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216804;MM216804;N=CN1CC1COC=O;PQDGPTMLKPQOET-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216805;MM216805;C=NOCC1CN1C=N;JFIPSJNOTJRESU-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216806;MM216806;C=NOCC1CN1C=O;OEEJLDDUTATIPP-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216807;MM216807;C=CCCC1CN1N=C;AUGDLRZKOFJNMJ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216808;MM216808;C=NN1CC1CCC#N;SQBCLVVAHIRZEQ-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216809;MM216809;C=NN1CC1CNC=N;IYIXFBAFWMMRNT-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216810;MM216810;C=C1C(F)C=NN1C=N;NAAXRFYSRNVVMY-UHFFFAOYSA-N;127.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216811;MM216811;C=NNCC1CN1N=C;VRTZVFMCNRHSIN-UHFFFAOYSA-N;126.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216812;MM216812;C=NN1CC1COC=O;LZFLOVXLTKBEAV-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216813;MM216813;C=NOCC1CN1N=C;YUPAQBLCMLUWOD-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216814;MM216814;C=CC1CN1CCC#N;KSDCBGHJSSEBRZ-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216815;MM216815;Cc1c(N)n[nH]c1CO;WJFDHGZDSJVHCA-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216816;MM216816;C=CCCN1CC1C#N;GFSKDWHJSILFEN-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216817;MM216817;COC(=NNC=N)NO;DLANGXOKDLLUKJ-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216818;MM216818;CCC1C=CC(=NN)O1;YVLZZTWTPVRLFB-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216819;MM216819;N#CCCN1CC1C#N;ZPWPAQJADPMGOK-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216820;MM216820;C#CCCC1CC1C=C;GEKFFASNIAKHQJ-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216821;MM216821;C#CCCC1CC1C=O;XJZBMZQBLXLKRN-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216822;MM216822;C#CCCC1CC1C#N;QIQUTPQUUKRXRH-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216823;MM216823;C#CCNC1CC1C=C;JZKZWXMZQKHZMQ-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216824;MM216824;C#CCOC1CC1C=C;OMBADLSFTKVZJR-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216825;MM216825;C#CCOC1CC1C#N;WKMLSLRQDCMQIM-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216826;MM216826;ONC1=NC(CF)CO1;HIWVWGRWCXEXLI-UHFFFAOYSA-N;134.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216827;MM216827;C#CCCC1NC1C#N;RRNBOMZPNMIZSL-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216828;MM216828;C#CCCC1OC1C=C;OVVUEGYGBBNATC-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216829;MM216829;C#CCCC1OC1C#N;QCHFDXCEJOPGRN-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216830;MM216830;C#CCCC1CN1C=N;DXAUFCXPTOSFMT-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216831;MM216831;C#CCCC1CN1C=O;WMULJKVCOBBUFP-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216832;MM216832;C#CCCC1CN1N=C;QSKSPNJYWHNNAQ-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216833;MM216833;C#CCCN1CC1C=C;IIGKOKUDWHUTBJ-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216834;MM216834;NN=C(NO)OC1CC1;WJWLXCIQQBFBRZ-UHFFFAOYSA-N;131.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216835;MM216835;C#CCCN1CC1C#N;QJRFZRQBAGDSGZ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216836;MM216836;C#CC1CC1CCCC;XKIKGHWDESQMHX-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216837;MM216837;C#CC1CC1CCCN;SLLAONPJZPKZNZ-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216838;MM216838;C#CC1CC1CCCO;XOBFXILTXVPMBV-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216839;MM216839;C#CC1CC1CCCF;OJRPWPXBMGUOCE-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216840;MM216840;C#CC1CC1CCNC;NKZCKSDLROJGPQ-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216841;MM216841;C#CC1CC1CCOC;ROMSXIGWFJBLLD-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216842;MM216842;C#CC1CC1CNCC;MANFYOSRBSYGGC-UHFFFAOYSA-N;123.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216843;MM216843;C#CC1CC1COCC;RBVJVFAYVILELU-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216844;MM216844;C#CC1CC1NCCC;ITBBHDZVIGFPNI-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216845;MM216845;C#CC1CC1NCCO;WRFBJTGJHBLMQY-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216846;MM216846;C#CC1CC1OCCC;HIWXEMHXNIWYRW-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216847;MM216847;C#CC1CC1OCCN;HCULAIJJXGMHEX-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216848;MM216848;C#CC1NC1CCCC;DFHRSGROLLMOGV-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216849;MM216849;C#CC1NC1CCCN;XTCWOEJRAUSVLP-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216850;MM216850;COC(=NN1CC1)NO;AZYBFNUWTBQYNK-UHFFFAOYSA-N;131.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216851;MM216851;C#CC1NC1CCNC;UOFYKQBRJIJRSN-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216852;MM216852;C#CC1NC1CCOC;FJJOQKQJIBRWAR-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216853;MM216853;C#CC1NC1CNCC;ROLSOTGPJRIVJJ-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216854;MM216854;C#CC1NC1COCC;KNKVXLBHWHOXHA-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216855;MM216855;C#CC1OC1CCCC;SNULCQAVKCLNTD-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216856;MM216856;C#CC1OC1CCCN;OBGCSBRDZCOCCD-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216857;MM216857;C#CC1OC1CCNC;CJTHVVDSDZJCCD-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216858;MM216858;C#CC1OC1CNCC;YQFGHMWBASMQPE-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216859;MM216859;C#CC1OC1COCC;YRDICLVHXHCJAI-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216860;MM216860;C#CC1CN1CCCC;RTJUMCJCHDVODF-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216861;MM216861;C#CC1CN1CCCN;QSPVGMQSKQJCQS-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216862;MM216862;C=CC12CCC(O)C1N2;PUHQORFEKOCEPL-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216863;MM216863;C#CC1CN1CCNC;UGOYZTDBHUWWGH-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216864;MM216864;C#CC1CN1CCOC;KUVFHYHGWAWMFE-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216865;MM216865;C#CC1CC1CCC=C;FDZFRMSXKIYHMK-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216866;MM216866;C#CC1CC1CCC=O;GXUKMYQBIOSINS-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216867;MM216867;C#CC1CC1CCC#N;WPKRFQFYWFMUTQ-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216868;MM216868;C#CC1CC1CNC=N;OAAZMFFTVNWUTG-UHFFFAOYSA-N;122.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216869;MM216869;C#CC1NC1C(O)CC;SHRLJBRONKFCEO-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216870;MM216870;C#CC1CC1CNN=C;NNRTUOUOZYSSLC-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216871;MM216871;C#CC1CC1COC=C;MPRJIPSYGYQEEF-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216872;MM216872;C#CC1CC1CON=C;MGEIAMAXJCQTCQ-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216873;MM216873;C#CC1CC1NCC=C;QXPXVXHHTAQDHD-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216874;MM216874;C#CC1CC1NCC#N;MZXITZLKFZGJIT-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216875;MM216875;C#CC1CC1OCC=O;CZPJGLAIAWEXQU-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216876;MM216876;C#CC1NC1CCC=C;PJVOKGFLYQHZEY-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216877;MM216877;NN1C(=O)CC2C(O)C21;IUXSFAHBUHBYQW-UHFFFAOYSA-N;128.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216878;MM216878;C#CC1NC1CCC#N;KSPOTPXQFFHWPM-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216879;MM216879;C#CC1NC1CNC=N;CORGZWAXGZPDFO-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216880;MM216880;C#CC1NC1CNN=C;IXAGWRGZPNCLNF-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216881;MM216881;C#CC1NC1COC=C;HHBMSGBAPJOWTH-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216882;MM216882;C#CC1NC1COC=O;ZXROVTISIOJXEI-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216883;MM216883;C#CC1OC1CCC=C;CKPOZVHCEDCBCK-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216884;MM216884;C#CC1OC1CCC=O;APSXTHMJCCASNL-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216885;MM216885;C#CC1OC1CCC#N;VEFZTPUKVZHRIH-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216886;MM216886;C#CC1OC1CNC=N;UUYXWBQWOVCNNE-UHFFFAOYSA-N;124.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216887;MM216887;C#CC1OC1COC=C;GJDVGOLJUWUWGR-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216888;MM216888;C#CC1CN1CCC=C;GXMFXWHVFSWFRZ-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216889;MM216889;CC(C)(C)OC(=NN)NO;YHSMZWFWNNXBHI-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216890;MM216890;C#CC1CN1CCC#N;XPPYFCVAXGCNFG-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216891;MM216891;C#CCCC1CC1C#C;HAOAINZAUSVLQD-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216892;MM216892;C#CCNC1CC1C#C;VNOMKOUJZCRQJU-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216893;MM216893;C#CCOC1CC1C#C;MDLCCCNIAGZDIT-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216894;MM216894;C#CCCC1NC1C#C;FBNGXWBQMGQITB-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216895;MM216895;C#CCCC1OC1C#C;WJZQRVRMPPNRJW-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216896;MM216896;C#CCCN1CC1C#C;IHYQZSKHMBCFLS-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216897;MM216897;CC=CCC1CC1CC;NTNFYRDYXJPVPL-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216898;MM216898;CC=CCC1CC1CN;PRHMZYXVBYROPM-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216899;MM216899;NCC1CC1CC=CF;MQVHUJHSYVCDKQ-UHFFFAOYSA-N;129.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216900;MM216900;CC(=O)N(C)OC(=N)NO;HSMJRCPYGDMMGM-UHFFFAOYSA-N;147.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216901;MM216901;FC=CCC1CC1CF;DRXYHNSXTIREQC-UHFFFAOYSA-N;132.15;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216902;MM216902;CCC1CC1CC=NN;PNAXAOBGKNLRHZ-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216903;MM216903;NCC1CC1CC=NO;PVBHMGJOFHCDKW-UHFFFAOYSA-N;128.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216904;MM216904;N=C(N=C(N)C=O)C(N)=O;LYMOWQNZAFFVBI-UHFFFAOYSA-N;142.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216905;MM216905;CC=CCC1CC1NC;NYVSANWZZVMLAR-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216906;MM216906;CNC1CC1CC=CF;VZRRURCZQUASRW-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216907;MM216907;CNC1CC1CC=NN;OGDRZPGEGKNJRQ-UHFFFAOYSA-N;127.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216908;MM216908;CNC1CC1CC=NO;QYBAXDWBLJOYJU-UHFFFAOYSA-N;128.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216909;MM216909;COC1CC1CC=NN;WTBUMNNJYIPPEW-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216910;MM216910;CCC1CC1N=CNC;RVJDQCOOTIUYRH-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216911;MM216911;CN=CNC1CC1CN;ZMARXLKWXVCVBI-UHFFFAOYSA-N;127.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216912;MM216912;NCC1CC1N=CNO;MAMAYQSZOAQHKK-UHFFFAOYSA-N;129.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216913;MM216913;NN=CNC1CC1CO;CZSDPIAHTCYQFC-UHFFFAOYSA-N;129.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216914;MM216914;CC=NNC1CC1CC;QKIIUGCPYRMQMN-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216915;MM216915;CC=NNC1CC1NC;QEDODQUFJUHICZ-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216916;MM216916;CC=COC1CC1CC;QPRHCGBBOPZXIR-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216917;MM216917;CC=COC1CC1CN;QHXRFAXAKHMEDE-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216918;MM216918;CC=COC1CC1CO;MPEUCKIVQIVJEZ-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216919;MM216919;C=C(F)CNC(=O)N(C)N;YPHQHJUISPRURI-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216920;MM216920;CC=NOC1CC1CC;QVPNREVCNPZNEH-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216921;MM216921;CC=NOC1CC1CN;ZUTWIRHLWPTDDL-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216922;MM216922;CNC(CC(N)=O)=NOC;ICIXEAORTKZOJW-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216923;MM216923;CNC1CC1OC=NN;VBPDHFDNBNGXMX-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216924;MM216924;CNN=C(NO)OC(C)C;HTVQLGHVRZCAFF-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216925;MM216925;CC=NOC1CC1OC;GNZDZMGWQGXJOA-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216926;MM216926;CC=CCC1NC1CF;IIVYSZHUEICJHE-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216927;MM216927;CC=CCC1OC1CC;UKMDXBOZPBJZCU-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216928;MM216928;CC=CCC1OC1CN;YFTMPMGHICPMEA-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216929;MM216929;CC=CCC1OC1CO;MXUYNAFXSLYXMX-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216930;MM216930;OCC1OC1CC=CF;ZYIIVFYYJMLHCG-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216931;MM216931;CC=CCC1OC1CF;HFSKMGSLZUBDGS-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216932;MM216932;CCC1OC1CC=NN;BLPGWWFLSGIGDM-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216933;MM216933;CCC1OC1CC=NO;PCINXKMUUKALHT-UHFFFAOYSA-N;129.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216934;MM216934;CCN1CC1CC=NN;JBNNLIMENYPTOP-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216935;MM216935;CC(=O)OC(=NC=N)NO;ZDTIBXBOVYITFU-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216936;MM216936;CC=CCN1CC1CN;QLNKFXSWUVFHNH-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216937;MM216937;C#CCN(O)C(=N)CC#N;SNDYWTLGJXKKKT-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216938;MM216938;CCC1CN1CC=NN;JREANZVBPROIML-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216939;MM216939;C#CCC(O)C(C)C=NN;HHHYNKPVAUSHHR-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216940;MM216940;NCC1CN1CC=NO;RJZJUSDUDFXSSK-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216941;MM216941;C#CCN(O)C(C)=NC=N;RLTXOJDTOVNNDA-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216942;MM216942;NCC1CN1N=CNO;NJCZXYITRDNFKS-UHFFFAOYSA-N;130.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216943;MM216943;C=CC1CC1CC=CC;LQRHENSHISOYSH-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216944;MM216944;C=CC1CC1CC=CF;VEBTUJYUYNVVPS-UHFFFAOYSA-N;126.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216945;MM216945;CC=CCC1CC1C#N;RPPCAVRJGRXLHG-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216946;MM216946;N#CC1CC1CC=CF;KKMCGQUYJFSYKS-UHFFFAOYSA-N;125.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216947;MM216947;C=CC1CC1CC=NO;WGEAHKGLUGPBRE-UHFFFAOYSA-N;125.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216948;MM216948;N#CC1CC1CC=NO;ZDSODCASJVPZDJ-UHFFFAOYSA-N;124.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216949;MM216949;C=CC1CC1NC=NC;HIAPWLVODPAOFR-UHFFFAOYSA-N;124.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216950;MM216950;CN=CNC1CC1C=O;VYVIDEVWUCMILF-UHFFFAOYSA-N;126.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216951;MM216951;C=CC1CC1NN=CC;PJNHAINNWSWYEI-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216952;MM216952;C=NOC(C#CC)ON=C;SMWIJUXITJHJJR-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216953;MM216953;N=C(CF)NOC(=N)NO;XYKWZCQNKLVMND-UHFFFAOYSA-N;150.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216954;MM216954;C=CC1CC1OC=CC;KCTPELQSGGRKSJ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216955;MM216955;CC=COC1CC1C=O;DHLNNZLJPYLZHX-UHFFFAOYSA-N;126.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216956;MM216956;CC=COC1CC1C#N;ISZOENQKEHBDCV-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216957;MM216957;COC(=N)NOC(=N)NO;LZFRRMOKPDAPSH-UHFFFAOYSA-N;148.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216958;MM216958;O=CC1CC1OC=NO;VZXXCSRGGXABJX-UHFFFAOYSA-N;129.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216959;MM216959;N#CC1CC1OC=NO;JIFYZGIWFOLXJA-UHFFFAOYSA-N;126.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216960;MM216960;C=CC1CC1ON=CC;NYLRIMKQQNVMAZ-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216961;MM216961;CC=NOC1CC1C#N;LRSPDLFHEBAFFN-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216962;MM216962;N#CC(=N)NOC(=N)NO;LIKYUHNTRILPIL-UHFFFAOYSA-N;143.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216963;MM216963;CC=CCC1NC1C#N;IUBPMIHOHLJSAH-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216964;MM216964;N#CC1NC1CC=CF;FVUQQQOFJRZFKE-UHFFFAOYSA-N;126.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216965;MM216965;N#CC1NC1CC=NO;FTDCHDOSDZDGJC-UHFFFAOYSA-N;125.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216966;MM216966;C=CC1OC1CC=CC;JTDBOXRMEPQLMX-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216967;MM216967;CC=CCC1OC1C=O;CYANSVCEDZGGFQ-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216968;MM216968;CC=CCC1OC1C#N;JRKMZDJOSJSKOV-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216969;MM216969;C=CC1OC1CC=NO;ABGCQBQOCSMWAS-UHFFFAOYSA-N;127.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216970;MM216970;O=CC1OC1CC=NO;JJOBZCYCRZHLQP-UHFFFAOYSA-N;129.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216971;MM216971;N#CC1OC1CC=NO;ZTIIIRGLKFOIIE-UHFFFAOYSA-N;126.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216972;MM216972;CC=CCC1CN1C=N;JFFGTTBAAKXSGF-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216973;MM216973;N=CN1CC1CC=CF;SANSMUKKRUPJNE-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216974;MM216974;CC=CCC1CN1C=O;JKOMIFXQRYBPNI-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216975;MM216975;O=CN1CC1CC=CF;SWZWTWSYCOWMGV-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216976;MM216976;N=CN1CC1CC=NN;GPFSNJVPSBGNOS-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216977;MM216977;N=CN1CC1CC=NO;FCUDIUIMYVHQHY-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216978;MM216978;NN=CCC1CN1C=O;ZFINFAHGCZREFG-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216979;MM216979;O=CN1CC1CC=NO;KPDFOSPECNREGA-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216980;MM216980;C=NN1CC1CC=CC;PCPCPIJELOOAGZ-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216981;MM216981;C=NN1CC1CC=CF;CJZHBQKFRBIUGE-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216982;MM216982;C=NN1CC1CC=NN;MOLCDOKLTSEBOK-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216983;MM216983;C=NN1CC1CC=NO;QINGRRVYCXBNAS-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216984;MM216984;C=CC1CN1CC=CC;YKPAMBVUVAKWEL-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216985;MM216985;C=CC(O)C=CC(C)=NN;WAEHJPAEXAAWIC-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216986;MM216986;CC=CCN1CC1C#N;FGZMPRNCRAYNBX-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216987;MM216987;N#CC1CN1CC=CF;MBHSNTANBWRSFP-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216988;MM216988;C=CC1CN1CC=NN;YGXZFDOOGPCZDF-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216989;MM216989;COC(=O)C#CC(=N)NO;YHKWCTPATJMXMJ-UHFFFAOYSA-N;142.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216990;MM216990;C#CC1CC1CC=CC;LRHGLFVWAWZIJO-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216991;MM216991;C#CC1CC1CC=NN;COLGPLCVEDIWAV-UHFFFAOYSA-N;122.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216992;MM216992;C#CC1CC1CC=NO;JBESFZDOFMAZIX-UHFFFAOYSA-N;123.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216993;MM216993;N=C(NO)ON(C=O)C=O;KRGKHVHCQHUWOS-UHFFFAOYSA-N;147.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216994;MM216994;C#CC1CC1NN=CC;FZUOOESZVYONSC-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216995;MM216995;C#CC1CC1OC=CC;CFDSATGBWVLQPF-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216996;MM216996;CCC(C)OC(=NN)NO;OSZCJJKTNDEESM-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216997;MM216997;C#CC1CC1ON=CC;OUCBODVRCHYTOW-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216998;MM216998;C#CC1NC1CC=CC;QZEGPWXLBFWDTA-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM216999;MM216999;C#CC1NC1CC=CF;SPBGQPUATODKTL-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217000;MM217000;C#CC1NC1CC=NN;QNHVSHDNGNLANL-UHFFFAOYSA-N;123.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217001;MM217001;CC(CF)OC(=NN)NO;PXQUZOUJINTQHA-UHFFFAOYSA-N;151.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217002;MM217002;C#CC1OC1CC=CC;PDKKEAOLUBQSBZ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217003;MM217003;C#CC1OC1CC=NO;VDOPXCQWMIAOLE-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217004;MM217004;C#CC1CN1CC=CC;KNLIZXJJKWDDRZ-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217005;MM217005;C#CC1CN1CC=CF;KGAMQASNTUAUNU-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217006;MM217006;C#CC1CN1CC=NN;VHJRCGANSFVTHT-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217007;MM217007;C#CC1CN1CC=NO;NJVMTAUEQUZRAK-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217008;MM217008;C#CC1CN1NC=NC;AVMWBWQFKTVMAI-UHFFFAOYSA-N;123.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217009;MM217009;CC#CCC1CC1CC;IMHPEWHBHNVDEJ-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217010;MM217010;CC#CCC1CC1CN;KDXDLWPOOZPEKR-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217011;MM217011;COC(=NN(C)C=N)NO;YSXWPRLFPYGNGT-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217012;MM217012;CC#CCC1CC1CF;TVFDQTWQELUODA-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217013;MM217013;CC#CCC1CC1NC;BWSUYLWFMPWHHU-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217014;MM217014;CC#CCC1OC1CC;FRQYGDVDCWBCCL-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217015;MM217015;CC#CCC1OC1CN;FYRJVWYYZKUDHP-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217016;MM217016;CC#CCC1OC1CO;LYPDWXZUTJEERT-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217017;MM217017;CC#CCC1OC1CF;APAFJAVJCQWILE-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217018;MM217018;CC#CCC1CN1CC;YPXVCENCRRQCTA-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217019;MM217019;CC#CCN1CC1CC;DBYPNSHSNJJVTJ-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217020;MM217020;CC#CCN1CC1CN;PDWYSOKFBJEYOK-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217021;MM217021;C=C(C)COC(=NN)NO;FQGXFMRKUPVOAL-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217022;MM217022;CC#CCN1CC1CF;ZULSSQWOMLKSHR-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217023;MM217023;C=CC1CC1CC#CC;SUPSQZYBOBBCIV-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217024;MM217024;CC#CCC1CC1C=O;GPQUDYVAEZKALB-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217025;MM217025;CC#CCC1CC1C#N;UCFVLRFFWIGJPE-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217026;MM217026;C#CC(=NCC(N)=O)NO;NPSWHLBLAMCTIM-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217027;MM217027;CC#CCC1NC1C#N;NTOUNPDKAFUXKQ-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217028;MM217028;CC#CCC1OC1C=O;DSNSJRGOGGXGOJ-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217029;MM217029;CC#CCC1OC1C#N;DRAKWUQQIPJTGZ-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217030;MM217030;CC#CCC1CN1C=N;ROGSTEMXMOGILZ-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217031;MM217031;CC#CCC1CN1C=O;TUAXPVGBJSNILT-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217032;MM217032;C=NN1CC1CC#CC;CLSFJRSJLZTDIV-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217033;MM217033;C=CC1CN1CC#CC;ZHHWJTFKGPBHKN-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217034;MM217034;C=C(F)C#CC(=NN)NO;BBVOOZCNCCEFEL-UHFFFAOYSA-N;143.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217035;MM217035;CC#CCN1CC1C#N;OQNAIENCXDWJFB-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217036;MM217036;C#CC1CC1CC#CC;QCICLILSHJMESF-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217037;MM217037;C#CC1NC1CC#CC;FDXFYQRXXHRYGK-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217038;MM217038;C#CC1OC1CC#CC;GDXOXYICQGUBQM-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217039;MM217039;C#CC1CN1CC#CC;SYSCGOSRCMKJPE-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217040;MM217040;CCC=CC1CC1CC;RINTVYZYOVADNJ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217041;MM217041;CCC1CC1C=CCN;AXSLUYHRZAEPTO-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217042;MM217042;CCC1CC1C=CCF;DREFFJAIHQUCGV-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217043;MM217043;CCC=CC1CC1CN;LZNXOYZCNLTIBC-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217044;MM217044;NCC=CC1CC1CN;APAOVEYGPLKJAI-UHFFFAOYSA-N;126.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217045;MM217045;NCC1CC1C=CCF;PWNKLGGMJNVQPI-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217046;MM217046;NCC=CC1CC1CO;BKJUEHLCJRLFAG-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217047;MM217047;NCC=CC1CC1CF;GOBPVJVODVCOGI-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217048;MM217048;CCC1CC1C=NNC;KEFSJKQFHNVBLQ-UHFFFAOYSA-N;126.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217049;MM217049;CCC1CC1C=NOC;GYLYUHRHFISDEF-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217050;MM217050;CCC=CC1CC1NC;AMRPEHNHOLUUKG-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217051;MM217051;CNC1CC1C=CCN;FABGVGRFYGSQCL-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217052;MM217052;CNC1CC1C=CCF;XIHCDPCEDACZQD-UHFFFAOYSA-N;129.18;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217053;MM217053;CNC1CC1C=NOC;CLBLRCDINVRBLY-UHFFFAOYSA-N;128.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217054;MM217054;NCC=CC1NC1CN;OBCKHQICZGBUGS-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217055;MM217055;NCC1NC1C=CCF;MUFULSFHVGZMOD-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217056;MM217056;NCC=CC1NC1CO;JWGVBSUIQPMPOG-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217057;MM217057;CCC=CC1NC1CF;DXIJQMPRRVGZIR-UHFFFAOYSA-N;129.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217058;MM217058;CCC1NC1C=NNC;YCWQNVSPVBBTPH-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217059;MM217059;CCC1NC1C=NOC;QVRWILMOKXLVJA-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217060;MM217060;CCC=CC1OC1CC;BJQUUEKXZADWAS-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217061;MM217061;CCC=CC1OC1CN;YGEMULUFNMTRSD-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217062;MM217062;NCC1OC1C=CCO;XYAGJFFGIVSWFB-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217063;MM217063;NCC1OC1C=CCF;QCAMILSQZNTFGV-UHFFFAOYSA-N;131.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217064;MM217064;OCC1OC1C=CCF;NBGAFWKSDZCKJT-UHFFFAOYSA-N;132.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217065;MM217065;COC=CC1OC1CN;OWVUBAQNAINWKL-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217066;MM217066;CCC1OC1C=NNC;ZXUCEOZDFBNYJJ-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217067;MM217067;CCC1OC1C=NOC;UFDLHTASCVVWIH-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217068;MM217068;CCC=CC1CN1CC;KIYQFTWZKGIUCD-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217069;MM217069;CCN1CC1C=CCN;CIVXJMRZWJYJGC-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217070;MM217070;COC(=NNC(C)C)NO;QZSRLSOFPUATEO-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217071;MM217071;C#CC=CN(O)C=NOC;XPISGCQGVBQLNH-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217072;MM217072;CNN=CNOC(=N)NO;UCHNIVYYANSVNA-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217073;MM217073;NCC1CN1N=CCO;MNPHZLMQEVZHER-UHFFFAOYSA-N;129.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217074;MM217074;CCC1CN1N=COC;DWPLIBDUBLOBSI-UHFFFAOYSA-N;128.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217075;MM217075;C=CC=CC1CC1CC;RUDUUXKMPSWVEF-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217076;MM217076;CCC1CC1C=CC=O;UPTXWXFMOQSABT-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217077;MM217077;CCC1CC1C=CC#N;IHBSQLXGZKVZKS-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217078;MM217078;C=CC=CC1CC1CN;ZONXHGIJTFXNRG-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217079;MM217079;CON=CNOC(=N)NO;VILPNHINCNKDLU-UHFFFAOYSA-N;148.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217080;MM217080;C=CC=CC1CC1CF;HFGGPKSKUBURLM-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217081;MM217081;O=CC=CC1CC1CF;RSOJJNFZGVJDNP-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217082;MM217082;C=NN=CC1CC1CC;ZISXAGNXKSGASY-UHFFFAOYSA-N;124.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217083;MM217083;C=NN=CC1CC1CO;NNLYJRRANAZPTC-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217084;MM217084;C=CC=CC1CC1NC;OBOPYHVYUMBUST-UHFFFAOYSA-N;123.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217085;MM217085;CNC1CC1C=CC=O;BSRMKBUXKMWBTF-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217086;MM217086;CNC1CC1C=CC#N;WFOQEDYLZKWFKL-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217087;MM217087;COC1CC1C=CC#N;PLLZJVVDXYKOIN-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217088;MM217088;CCC1NC1C=CC#N;FBGIICQKXWXIPH-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217089;MM217089;C=CC=CC1NC1CN;RPRZBFCOPUTDDK-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217090;MM217090;C#CCOC(=NNC)NO;JIDKJLGGNHUHCR-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217091;MM217091;N=CN=C(NO)OC=NN;DDIOPISTUPXMFZ-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217092;MM217092;C=NN=CC1NC1CC;WRBJZDLKSCDCCG-UHFFFAOYSA-N;125.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217093;MM217093;C=NN=CC1NC1CN;RMEBVNGAEYBMCH-UHFFFAOYSA-N;126.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217094;MM217094;CCOC(=NNC=N)NO;STYYYXFVWFJBRF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217095;MM217095;C=CC=CC1OC1CC;AUBHACDNFVESSE-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217096;MM217096;CCC1OC1C=CC#N;OUXINLASHMHYHV-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217097;MM217097;C=CC=CC1OC1CN;FWUIKJRLVQWCIY-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217098;MM217098;C=CC=CC1OC1CO;YZAYJUDATUFMMH-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217099;MM217099;N#CC=CC1OC1CO;BHIGMLUPGHDAGU-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217100;MM217100;C=CC=CC1OC1CF;PJWBWVSNDDDPBI-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217101;MM217101;O=CC=CC1OC1CF;CLKCMJOWGKVCRU-UHFFFAOYSA-N;130.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217102;MM217102;N#CC=CC1OC1CF;SSOJQTXAWQTBTL-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217103;MM217103;C=NN=CC1OC1CC;WRFQWRJHCIWKEA-UHFFFAOYSA-N;126.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217104;MM217104;C=NN=CC1OC1CN;CJKGJOZIBXQZRD-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217105;MM217105;C=NN=CC1OC1CO;YCQXCXQMJXPWIX-UHFFFAOYSA-N;128.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217106;MM217106;C=CC=CC1CN1CC;PPLDSPAYHDWJCF-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217107;MM217107;CCN1CC1C=CC=O;QBKSSKZLRBUTCW-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217108;MM217108;CCN1CC1C=CC#N;KYPYPFCZFSXWED-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217109;MM217109;CCC1CN1C=CC=O;LOICHLTVQLIAQA-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217110;MM217110;C=NN=CN1CC1CC;UNBMJDMOOSQTEM-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217111;MM217111;C=CC=NN1CC1CC;QOZFEFJSRILLLO-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217112;MM217112;CCC1CN1N=CC=O;NMYZERPTFMGMMQ-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217113;MM217113;C=CC=NN1CC1CN;LTFTUQCHDNWUFI-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217114;MM217114;N#CC=NN1CC1CF;DBVHUYYRIKLYAM-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217115;MM217115;C#CC=CC1CC1CC;XKSOKQIHOGRGCD-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217116;MM217116;C#CC=CC1CC1CN;CRSAJPPRZZUWJE-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217117;MM217117;O=CCN=C(NO)OC=O;BXQRXIIAEQTMEH-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217118;MM217118;C#CC=CC1CC1NC;XHPTUDFDKGRQNQ-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217119;MM217119;C#CC=CC1NC1CN;RXFDIZCGEPJETB-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217120;MM217120;C#CC=CC1OC1CC;GEVSXTOETDEROK-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217121;MM217121;C#CC=CC1OC1CN;ZSFCGPOOIINCRI-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217122;MM217122;C#CC=CC1OC1CO;SUVCWOQTOHKWPV-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217123;MM217123;C#CC=CC1OC1CF;HXKNLOMPWHTFNZ-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217124;MM217124;C#CC=CC1CN1CC;IOPROUAIWYRHTD-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217125;MM217125;C#CC=NN1CC1CC;BSGBGQOIBIESKK-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217126;MM217126;NN=CN=C(NO)OC=O;NQJXXWDNLMYOED-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217127;MM217127;C#CC=NN1CC1CF;XQFGILMECSJOBG-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217128;MM217128;C=CC1CC1C=CCC;WEFNBWIBYZISFC-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217129;MM217129;C=CC1CC1C=CCN;IHGZZPOZGPFUIY-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217130;MM217130;CCC=CC1CC1C=O;XLDGVHHRWBWOOY-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217131;MM217131;CCC=CC1CC1C#N;MBRMVLHCHYTLFB-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217132;MM217132;N#CC1CC1C=CCO;IKLWJYFKIQVENM-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217133;MM217133;O=CC1CC1C=CCF;VHMZPMNMSZIZJT-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217134;MM217134;N#CC1CC1C=CCF;KAQDCUVPRAQXNH-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217135;MM217135;C=CC1CC1C=NNC;GCEGQAXRTAHPNV-UHFFFAOYSA-N;124.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217136;MM217136;CNN=CC1CC1C#N;NOTXXVGDXTVVCB-UHFFFAOYSA-N;123.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217137;MM217137;CON=CC1CC1C#N;WWYLAMFBOBIOFE-UHFFFAOYSA-N;124.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217138;MM217138;C=CC1NC1C=CCC;OUDXAIJWTVDOHF-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217139;MM217139;C=CC1NC1C=CCN;CYVZRGAVOACVEV-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217140;MM217140;C=CC1NC1C=CCF;WSILATKCABJBMP-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217141;MM217141;NN=CN=C(NO)C(N)=O;FDKYNGYJOLNAJX-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217142;MM217142;CCC=CC1NC1C#N;PWYKTVPODOMSPP-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217143;MM217143;CCCN=C(OC)N(C)O;ACDPRFPJRAESOI-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217144;MM217144;COC=CC1NC1C#N;AURSUXHVRCPQRA-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217145;MM217145;C=CC1NC1C=NNC;RXBQDSUGXBDEKI-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217146;MM217146;CNN=CC1NC1C#N;BCFFCDCWEFMGMN-UHFFFAOYSA-N;124.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217147;MM217147;C=CC1OC1C=CCC;GEAMGFXMCCFYBB-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217148;MM217148;C=CC1OC1C=CCN;HNODHSMSFUVCNL-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217149;MM217149;C=CC1OC1C=CCF;AMXLJUIAVDWQOB-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217150;MM217150;CCC=CC1OC1C#N;GKIFXTPTBDVPKX-UHFFFAOYSA-N;123.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217151;MM217151;N#CC1OC1C=CCF;LOGXQYVKTISHDB-UHFFFAOYSA-N;127.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217152;MM217152;C=CC1OC1C=COC;YYCLBAYDXUFMQK-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217153;MM217153;COC=CC1OC1C=O;LXEIIZIXJABKNR-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217154;MM217154;C=CC1OC1C=NNC;HEQZVSMXXKNHJW-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217155;MM217155;C=CC1OC1C=NOC;GSHJGWUDQGJLPW-UHFFFAOYSA-N;127.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217156;MM217156;C=CCN=C(OC)N(C)O;ICQCTYFSYPNBEA-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217157;MM217157;CON=CC1OC1C#N;COIQTZDGKJYFPQ-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217158;MM217158;CCC=CC1CN1C=N;FSJJXCOIGOJODF-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217159;MM217159;N=CN1CC1C=CCN;LWRLEVWLDKXRGS-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217160;MM217160;CCC=CC1CN1C=O;PVTWJCMGOZWHSU-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217161;MM217161;NCC=CC1CN1C=O;OYMSURLIYANHBY-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217162;MM217162;CNN=CC1CN1C=N;JKMAHIRVVYLENZ-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217163;MM217163;CNN=CC1CN1C=O;LXNJPYGKRXIZBL-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217164;MM217164;CON=CC1CN1C=N;FQPYZNGAMIYQQN-UHFFFAOYSA-N;127.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217165;MM217165;CON=CC1CN1C=O;RYRQDRCUQSPJEJ-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217166;MM217166;C=NN1CC1C=CCC;HQQJRSVGZOYBAA-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217167;MM217167;C=NN1CC1C=CCF;USKDQHJQJIUSNK-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217168;MM217168;C=NN1CC1C=COC;JWVJTCYSSLMALS-UHFFFAOYSA-N;126.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217169;MM217169;C=NN1CC1C=NNC;VEPZHWXYTKQWIH-UHFFFAOYSA-N;126.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217170;MM217170;C=NN1CC1C=NOC;FRKDCDORQQRPCR-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217171;MM217171;C=CC1CN1C=NCC;JQGMHJFDDVOPDM-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217172;MM217172;CON=CN1CC1C#N;NRWJOPXBDSKDGZ-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217173;MM217173;CCC=NN1CC1C#N;GLAFRYNGXOUOIS-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217174;MM217174;C#CC#Cc1cnc(N)o1;DWXHJSSTSBSKIL-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217175;MM217175;C=CC1CC1C=CC=O;PGWFTYNLOGZJEM-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217176;MM217176;C=CC1CC1C=CC#N;PANOPZASQUBYCX-UHFFFAOYSA-N;119.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217177;MM217177;C=CC=CC1CC1C#N;YOQJOPPOCSLLLA-UHFFFAOYSA-N;119.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217178;MM217178;O=CC=CC1CC1C=O;JCPSKWGBPKZUCH-UHFFFAOYSA-N;124.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217179;MM217179;N#CC=CC1CC1C=O;WKOSDLYODLKCTF-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217180;MM217180;N#CC1CC1C=CC=O;XFVNHHBJJCAGGD-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217181;MM217181;N#CC=CC1CC1C#N;JJBXTYTZLUNHIZ-UHFFFAOYSA-N;118.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217182;MM217182;C=CC1CC1C=NN=C;SJTJNPYMKJLBIE-UHFFFAOYSA-N;122.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217183;MM217183;COc1cn(O)cnc1=N;FUMPJCGNAKEOAX-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217184;MM217184;C=NN=CC1CC1C#N;KVCRDUACDZJCSG-UHFFFAOYSA-N;121.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217185;MM217185;C=CC=CC1NC1C=C;BKXYPGZYXZDDJY-UHFFFAOYSA-N;121.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217186;MM217186;C=CC1NC1C=CC=O;NWYXLJFYOVLTTE-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217187;MM217187;C=CC1NC1C=CC#N;ZGFVAVFKLWUSTM-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217188;MM217188;C=CC=CC1NC1C#N;SQSHXBMJIVGZSE-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217189;MM217189;COC(CO)C(=NN)NN;IDGOPXCCNDUGKU-UHFFFAOYSA-N;148.17;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217190;MM217190;N#CC1NC1C=CC=O;UKILSDQNKFYBNY-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217191;MM217191;N#CC=CC1NC1C#N;JVXOJUOEHNNSGX-UHFFFAOYSA-N;119.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217192;MM217192;C=CC1NC1C=NN=C;WEUGGDPHPFWHQC-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217193;MM217193;COCCOC(=NN)NO;NIPDWTQDIFKEBX-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217194;MM217194;C=NN=CC1NC1C#N;UPODZQFBYADSCS-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217195;MM217195;C=CC=CC1OC1C=C;ZVSBPLCOISZJGR-UHFFFAOYSA-N;122.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217196;MM217196;C=CC1OC1C=CC=O;MJECFSWUAPLEML-UHFFFAOYSA-N;124.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217197;MM217197;C=CC1OC1C=CC#N;UYZPTJAVEGBRPL-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217198;MM217198;C=CC=CC1OC1C#N;VKWORQBPCPQTGA-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217199;MM217199;N#CC=CC1OC1C=O;AYRNXQAPCPLTAG-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217200;MM217200;N#CC=CC1OC1C#N;JDUISHFRVZLBFP-UHFFFAOYSA-N;120.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217201;MM217201;C=NN=CC1OC1C#N;YTTLEHCIBJRQIR-UHFFFAOYSA-N;123.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217202;MM217202;C=CC=CC1CN1C=N;IFPUAKQTJJUCOW-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217203;MM217203;N=CN1CC1C=CC=O;QOBJHGFZPXCVOC-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217204;MM217204;N#CC=CC1CN1C=N;KMBYGHHBTBZKND-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217205;MM217205;N#CC=CC1CN1C=O;INAQCSAIETUZHM-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217206;MM217206;C=NN=CC1CN1C=N;JTTIJDWKKXFJAU-UHFFFAOYSA-N;124.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217207;MM217207;C=CC=CC1CN1N=C;QEGIRYHTXZHCLF-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217208;MM217208;C=NN1CC1C=CC=O;DMANXSIKWUBQQO-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217209;MM217209;C=NN1CC1C=CC#N;AXPNENFKIBNCMY-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217210;MM217210;C=NN=CC1CN1N=C;BUJRVXFYSWWLBA-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217211;MM217211;C=CC1CN1C=CC=O;FQTMAISHOLOVIF-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217212;MM217212;C=CC1CN1C=CC#N;QTYLCSSKNYDRIO-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217213;MM217213;N#CC1CN1C=CC=O;RVLVZVMYWUQNIN-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217214;MM217214;N#CC=CN1CC1C#N;PPIJEDZEVRDVSJ-UHFFFAOYSA-N;119.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217215;MM217215;C=CC1CN1C=NC=O;IMQLDZMBQTWNLK-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217216;MM217216;NN=CCOC(=NN)NO;MABNCXPFVONALS-UHFFFAOYSA-N;147.14;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217217;MM217217;N#CC1CN1C=NC=O;NENWEMIYMOKAFK-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217218;MM217218;C=CC1CN1C=NN=C;XYYMEQOJUQQLQQ-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217219;MM217219;C=CC=NN1CC1C=C;MQSNZWZRHHZRSW-UHFFFAOYSA-N;122.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217220;MM217220;C=CC1CN1N=CC=O;QGDZAUPXPYHMAT-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217221;MM217221;N#CC1CN1N=CC=O;WECNCAPLLYTNEO-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217222;MM217222;N#CC=NN1CC1C#N;QTSUMJNIEZYYSO-UHFFFAOYSA-N;120.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217223;MM217223;C#CC=CC1CC1C=C;MGOKVOZKVNABGI-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217224;MM217224;C#CC=CC1CC1C=O;KIALGPAMGJCYQW-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217225;MM217225;C#CC=CC1CC1C#N;OJCSSMKIBRFBMJ-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217226;MM217226;C#CC=CC1NC1C=C;LAMGUTSAUZFNJU-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217227;MM217227;CC#CCOC(=NN)NO;KUOMMHALLSZVSR-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217228;MM217228;C#CC=CC1NC1C#N;GXSKZYQRXCAWRV-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217229;MM217229;C#CC=CC1OC1C=C;GFXMCRFULICYMG-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217230;MM217230;C#CC=CC1OC1C=O;ZUMCEWRVGSLRNK-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217231;MM217231;C#CC=CC1OC1C#N;IEDPBOVTSGNZDQ-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217232;MM217232;C#CC=CC1CN1C=N;YMVOXHHSNQJCBU-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217233;MM217233;C#CC=NN1CC1C=C;NSCNGDASCABXRV-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217234;MM217234;C#CC1CC1C=CCC;HGFPILFJSOJUNU-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217235;MM217235;C#CC1CC1C=CCN;GQYBRQLFURZBBA-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217236;MM217236;C#CC1CC1C=CCO;CKDQCNBYKOABBC-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217237;MM217237;C#CC1CC1C=CCF;BJSMLJZCKUJADZ-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217238;MM217238;C#CC1CC1C=NNC;BMTVGTCPJPOTFF-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217239;MM217239;C#CC1CC1C=NOC;RPYIPRSDEVZDKG-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217240;MM217240;C#CC1NC1C=CCC;RKAQSYCUDXBTEN-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217241;MM217241;C#CC1NC1C=CCN;DXCOOYIFYWMACD-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217242;MM217242;COC(=NCCCO)NO;KCGVNHDCQWLSLD-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217243;MM217243;C#CC1OC1C=CCC;JDNWBPYJDHPTHU-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217244;MM217244;C#CC1OC1C=CCN;VQKXUDIJIVTPHZ-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217245;MM217245;C#CC1OC1C=CCF;YEJBZYJWVRIPMS-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217246;MM217246;C#CC1OC1C=NNC;FOFZYYYFQCIZDK-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217247;MM217247;C#CC1OC1C=NOC;GYLGYTAJWOYVIR-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217248;MM217248;C#CC1CN1N=CCC;KZLQJEQVBIIUKX-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217249;MM217249;CCCNN=C(NO)OC;UOFQOESGBOIAEJ-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217250;MM217250;C#CC1CC1C=CC=O;WMWOSZWBUWZVSG-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217251;MM217251;C#CC1CC1C=CC#N;LVGNFKFFKDZWFZ-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217252;MM217252;C#CC1CC1C=NN=C;TXHREQOAUFJNKN-UHFFFAOYSA-N;120.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217253;MM217253;C#CC1NC1C=CC=C;IGJYEFOHWVPPJU-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217254;MM217254;C#CC1NC1C=CC=O;SXGSJYLUJFKJCM-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217255;MM217255;C#CC1NC1C=CC#N;CGFUOTYLHXHCTA-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217256;MM217256;C#CC1NC1C=NN=C;WDCUYRKRMQESBD-UHFFFAOYSA-N;121.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217257;MM217257;C#CC1OC1C=CC=C;BKPKJJMVVOYLOK-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217258;MM217258;C#CC1OC1C=CC=O;HHDYNPGSJCTUJM-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217259;MM217259;C#CC1OC1C=CC#N;IOKFHFQYWHZJAD-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217260;MM217260;C#CC1OC1C=NN=C;HJUXSLRTUCFFMC-UHFFFAOYSA-N;122.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217261;MM217261;C#CC1CN1C=NC=O;WCWDUWUTDJRVGZ-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217262;MM217262;C#CC1CN1C=NN=C;VBDYWGARZIZFLO-UHFFFAOYSA-N;121.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217263;MM217263;C#CC1CN1N=CC=C;NIWJHYVPYFOULK-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217264;MM217264;C#CC1CN1N=CC#N;SGGYQSVOZNIKKT-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217265;MM217265;C#CC=CC1CC1C#C;CPIBSSRHTVUBMK-UHFFFAOYSA-N;116.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217266;MM217266;C#CC=CC1NC1C#C;GBDFLHHNMNFBQW-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217267;MM217267;C#CC=CC1OC1C#C;VWDJFJQIDVINSA-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217268;MM217268;CCC#CC1CC1CC;VYZAMDOCMZJPLS-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217269;MM217269;CCC1CC1C#CCN;LPXRFFMJXQXVBP-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217270;MM217270;CCC1CC1C#CCO;UFFYIBYAOLDLLX-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217271;MM217271;CCC1CC1C#CCF;UBYDRVYJFOFZCW-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217272;MM217272;CCC#CC1CC1CN;MOSXYLHCBRJSHR-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217273;MM217273;NCC#CC1CC1CN;ARMNSJIHASTBJZ-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217274;MM217274;NCC1CC1C#CCO;FTZOQEMHLSXUIU-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217275;MM217275;NCC1CC1C#CCF;PLUBESXECOSNKL-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217276;MM217276;OCC1C=CC2(CO)CN12;JBUSVTKCQHVOCS-UHFFFAOYSA-N;141.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217277;MM217277;NCC#CC1CC1CO;HUIZQFIROAEGQW-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217278;MM217278;NCC#CC1CC1CF;SJPWHENTBJXRCD-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217279;MM217279;FCC#CC1CC1CF;COZREIUVFCEWBL-UHFFFAOYSA-N;130.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217280;MM217280;CCC#CC1CC1NC;DTDCVORVCVEQMK-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217281;MM217281;CNC1CC1C#CCN;ACQMAZBQGHMZGI-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217282;MM217282;CNC1CC1C#CCO;DUZSNXOWWLZJDV-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217283;MM217283;CNC1CC1C#CCF;YIPAHTKAQSTJFT-UHFFFAOYSA-N;127.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217284;MM217284;CCC#CC1CC1OC;CWHIKDUHAJUOMJ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217285;MM217285;COC1CC1C#CCN;ZYHUKUMYSASDPQ-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217286;MM217286;CCC#CC1NC1CC;NNUSXSFSIHQLSB-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217287;MM217287;CCC1NC1C#CCN;QQKQKFBWYOLDJM-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217288;MM217288;CC(=O)OC(=N)NO;SXQFZFHRAAIOCW-UHFFFAOYSA-N;118.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217289;MM217289;CCC1NC1C#CCF;HZIGKAJIZNMMJO-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217290;MM217290;CCC#CC1NC1CN;AKKIKRXSOFBCRU-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217291;MM217291;NCC#CC1NC1CN;UIMONEHNFLXNFX-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217292;MM217292;NCC1NC1C#CCF;HWOLLWVNMSGHKI-UHFFFAOYSA-N;128.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217293;MM217293;COC(=NC=N)NO;HEEGIOLAHIBMCL-UHFFFAOYSA-N;117.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217294;MM217294;NCC#CC1NC1CO;IDQZUUFIFAQQPC-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217295;MM217295;C=Cc1cc(C)n[nH]1;BEEPOJIZGIBDMM-UHFFFAOYSA-N;108.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217296;MM217296;CCC#CC1NC1CF;PTAAPFVXVJOXIF-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217297;MM217297;CCC#CC1OC1CC;UZVCHDVVUVGYNF-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217298;MM217298;CCC1OC1C#CCN;VSAJVQJOUMEUEJ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217299;MM217299;CCC1OC1C#CCO;KIIPRXBONYLOEH-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217300;MM217300;CCC1OC1C#CCF;DBMUNHOUTIOUSG-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217301;MM217301;CCC#CC1OC1CN;KWUGNLOXYZLQKB-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217302;MM217302;NCC#CC1OC1CN;GZXIOSJEFXWRCF-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217303;MM217303;CCC#CC1OC1CO;RTUQJUDIZGSDGO-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217304;MM217304;NCC#CC1OC1CO;FQFWRLPNXQYZLI-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217305;MM217305;FCC#CC1OC1CF;IRLXBKSSPMYORU-UHFFFAOYSA-N;132.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217306;MM217306;CCC#CC1CN1CC;GNGCQLXLKUUOQH-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217307;MM217307;CCN1CC1C#CCN;HGXUVWLRUAXLDA-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217308;MM217308;C=C(CO)N=C(N)C=O;XHBMNXJLFSLLNM-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217309;MM217309;CCN1CC1C#CCF;VIJAIMYGPBKEQE-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217310;MM217310;C=CC#CC1CC1CC;BNLWJRMJFDTANT-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217311;MM217311;CCC1CC1C#CC=O;TYACJNZNOOXORZ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217312;MM217312;CCC1CC1C#CC#N;UFFLTWHRMVPNTJ-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217313;MM217313;C=CC#CC1CC1CN;PCGJVFIRMWZMMF-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217314;MM217314;N=C(NO)OC(=O)C=O;XGDIHUFQWZMLHG-UHFFFAOYSA-N;132.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217315;MM217315;N#CC#CC1CC1CO;KETVJTLCQFCKKM-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217316;MM217316;O=CC#CC1CC1CF;JJLNVFVATSAHFV-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217317;MM217317;N#CC#CC1CC1CF;NUNUMSZBZURHMG-UHFFFAOYSA-N;123.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217318;MM217318;C=CC#CC1CC1NC;NPWFLCWKJFSXJS-UHFFFAOYSA-N;121.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217319;MM217319;CNC1CC1C#CC=O;INILEHILMUSTQI-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217320;MM217320;CNC1CC1C#CC#N;SWAOCYJZZKJAEQ-UHFFFAOYSA-N;120.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217321;MM217321;C=CC#CC1CC1OC;LSHADPVDNYFCKL-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217322;MM217322;COC1CC1C#CC=O;HNSPUQUKCJTWAE-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217323;MM217323;COC1CC1C#CC#N;YCAOPKBSLFIHTE-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217324;MM217324;C=CC#CC1NC1CC;ZQTJZTHNKMNAOB-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217325;MM217325;CCC1NC1C#CC=O;NSZZIYHOGGMTDJ-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217326;MM217326;CCC1NC1C#CC#N;XGMZNNRGCIDYTC-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217327;MM217327;C=CC#CC1NC1CN;WUTBRLHBJNSCID-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217328;MM217328;CN=C(NO)OC(C)=O;CXGPBXLQQCKXMK-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217329;MM217329;CCN(O)C(=N)C(F)F;OEQMALVPMGKPIN-UHFFFAOYSA-N;138.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217330;MM217330;C=CC#CC1NC1CF;CBUCQHOBJLIWOR-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217331;MM217331;N#CC#CC1NC1CF;TZCJHHQKWJDJEE-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217332;MM217332;C=CC#CC1OC1CC;JMDOAPYJULFLKC-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217333;MM217333;CCC1OC1C#CC=O;UVFGGQZOVDLGDW-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217334;MM217334;CCC1OC1C#CC#N;GRLMKGHDDNIGCF-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217335;MM217335;C=CC#CC1OC1CN;KJHHNVHQYCKGRW-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217336;MM217336;C=CC#CC1OC1CO;XRBJXJOIWORFNB-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217337;MM217337;N#CC#CC1OC1CO;CEQZQDFHVNTWDA-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217338;MM217338;C=CC#CC1OC1CF;PBWRLHULKPLZHA-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217339;MM217339;N#CC#CC1OC1CF;VKYBVXCJTBYWEQ-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217340;MM217340;C=CC#CC1CN1CC;ZOVWMCGPLGNFRW-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217341;MM217341;CCN1CC1C#CC=O;FFUBHWBQWGDUGT-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217342;MM217342;CCN1CC1C#CC#N;WFHYRZHYGUCUNK-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217343;MM217343;C#CC#CC1CC1CC;PKJTUNOTQJUUKG-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217344;MM217344;C#CC#CC1CC1CN;PPIPALAVZXPVDF-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217345;MM217345;C#CC#CC1CC1CO;UCQKLLPIIZXKCT-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217346;MM217346;C#CC#CC1CC1CF;ILGOISNKCGBCML-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217347;MM217347;C#CC#CC1CC1NC;YDPZFYIMVLQSDK-UHFFFAOYSA-N;119.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217348;MM217348;C#CC#CC1CC1OC;MGTVKQAOGJKZBN-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217349;MM217349;C#CC#CC1NC1CC;YLQXUDZIIZEPBN-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217350;MM217350;C#CC#CC1NC1CN;JIRDJIAXPADQCC-UHFFFAOYSA-N;120.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217351;MM217351;C=NNCC(O)C(C)C;KSAPZUFYEAYWLE-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217352;MM217352;C#CC#CC1NC1CF;HHFXBGUTLAXJLK-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217353;MM217353;C#CC#CC1OC1CC;CSUJQHVLOCSYIM-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217354;MM217354;C#CC#CC1OC1CN;WKNAMOWHWILXPU-UHFFFAOYSA-N;121.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217355;MM217355;C#CC#CC1OC1CO;FPMHEPPBFATPAY-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217356;MM217356;C#CC#CC1OC1CF;PFQCEWKBIBPYRS-UHFFFAOYSA-N;124.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217357;MM217357;C#CC#CC1CN1CC;SZDIVWRXDJXOBB-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217358;MM217358;C=CC1CC1C#CCC;BJUGUCYZSLVUSF-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217359;MM217359;C=CC1CC1C#CCN;HNRDLVUECWQMCS-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217360;MM217360;C=CC1CC1C#CCO;HANQEUFCVPUWKJ-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217361;MM217361;C=CC1CC1C#CCF;WPNODRFGNRTJFQ-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217362;MM217362;CCC#CC1CC1C=O;GXWFQGXXVGXMNG-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217363;MM217363;CCC#CC1CC1C#N;XJMAREYVLLKTMP-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217364;MM217364;O=CC1CC1C#CCO;CIDGUQDGZJUTSQ-UHFFFAOYSA-N;124.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217365;MM217365;N#CC1CC1C#CCO;JQZQFEHWFTWTBC-UHFFFAOYSA-N;121.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217366;MM217366;O=CC1CC1C#CCF;HXMPBIDGQGCJSV-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217367;MM217367;N#CC1CC1C#CCF;JKMKZMAVAASLKV-UHFFFAOYSA-N;123.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217368;MM217368;C=CC1NC1C#CCC;FKWNQUQMGASMBQ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217369;MM217369;C=CC1NC1C#CCN;FONCOJRRMMUROL-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217370;MM217370;N=C(NOC=O)C(N)=O;OXFOGEKRCQARFZ-UHFFFAOYSA-N;131.09;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217371;MM217371;C=CC1NC1C#CCF;GLTMJKNFUARNOI-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217372;MM217372;C=NOC(CO)CC=O;SUNHQEGLNBTEMW-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217373;MM217373;CCC#CC1NC1C#N;FQFSNQVVJQWLJX-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217374;MM217374;N#CC1NC1C#CCO;AHMSKJDFTAKLFJ-UHFFFAOYSA-N;122.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217375;MM217375;C=NOC(C=CC)CO;IRTPSXASGMQJHC-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217376;MM217376;N#CC1NC1C#CCF;QOWIKWMGGLGMJE-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217377;MM217377;C=CC1OC1C#CCC;FBIXUUANDIGPLD-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217378;MM217378;C=CC1OC1C#CCN;LHSWBXVWWADERI-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217379;MM217379;C=CC1OC1C#CCO;IBZAPGQPXZREQK-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217380;MM217380;C=CC1OC1C#CCF;WBLFGXPMKASFHQ-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217381;MM217381;CCC#CC1OC1C=O;FZCVCHMMZJATHL-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217382;MM217382;CCC#CC1OC1C#N;LRNGZJVTRYLISP-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217383;MM217383;N#CC1OC1C#CCO;ULXRSYLKVIXEMA-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217384;MM217384;O=CC1OC1C#CCF;WSFMSFWLGYPRGD-UHFFFAOYSA-N;128.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217385;MM217385;N#CC1OC1C#CCF;HENSLQVMZZUKLA-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217386;MM217386;CCC#CC1CN1C=N;JPHFPUSECFYSIK-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217387;MM217387;N=CN1CC1C#CCN;CMRBENNUCHLAPN-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217388;MM217388;N=CN1CC1C#CCO;LCYWAUHKVCLIEJ-UHFFFAOYSA-N;124.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217389;MM217389;N=CN1CC1C#CCF;SHJHFLHQRCFEIL-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217390;MM217390;CCC#CC1CN1C=O;HVTHYXAOQXXNHL-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217391;MM217391;NCC#CC1CN1C=O;IJOMOXYRIVDVJH-UHFFFAOYSA-N;124.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217392;MM217392;O=CN1CC1C#CCO;APPTVHOAVGYDMX-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217393;MM217393;O=CN1CC1C#CCF;BBBOZRHBSQAWQZ-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217394;MM217394;C=NN1CC1C#CCC;RGSSOSBTJZFDHQ-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217395;MM217395;C=NN1CC1C#CCN;VLZMDJSANLSZHO-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217396;MM217396;CCOC(=NC=N)NO;HILMNFNXOLXXSR-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217397;MM217397;C=NN1CC1C#CCF;DPYMXMKWDQZHJT-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217398;MM217398;C=CC#CC1CC1C=C;QWFVZSBVBKJQCD-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217399;MM217399;C=CC1CC1C#CC=O;XHHNREYRCREDKK-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217400;MM217400;C=CC1CC1C#CC#N;KNYYHBUVBVCBES-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217401;MM217401;C=CC#CC1CC1C=O;FMHXLDJHVRANBK-UHFFFAOYSA-N;120.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217402;MM217402;C=CC#CC1CC1C#N;PYJKXFJUYNKEFX-UHFFFAOYSA-N;117.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217403;MM217403;O=CC#CC1CC1C=O;AVYJPORJILTMCX-UHFFFAOYSA-N;122.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217404;MM217404;N#CC#CC1CC1C=O;DRIZEYDGMHSFPF-UHFFFAOYSA-N;119.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217405;MM217405;N#CC1CC1C#CC=O;GKSKYMSFKJAQKS-UHFFFAOYSA-N;119.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217406;MM217406;N#CC#CC1CC1C#N;RCPQMDVMWWELJQ-UHFFFAOYSA-N;116.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217407;MM217407;C=CC#CC1NC1C=C;WLRBPBJUVSQGIJ-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217408;MM217408;C=CC1NC1C#CC=O;NDBLTRGQKBAWBQ-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217409;MM217409;C=CC1NC1C#CC#N;VCNCDKACJCMJER-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217410;MM217410;Nc1[nH]c(CO)cc1F;XSDPNGUAEVFZMP-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217411;MM217411;C=CC#CC1NC1C#N;UGLUFCFBQVHFFA-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217412;MM217412;C#CC(C=O)N(O)C=N;NWHQXHFTJLEWPB-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217413;MM217413;NN=C1COC(=NN)C1;MWODZWNKGRZJIV-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217414;MM217414;COC1CN=C(NO)O1;WVKMWKUDDXOUQS-UHFFFAOYSA-N;132.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217415;MM217415;NN=C1CN=C(NO)O1;XJOGOYWGOHQASO-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217416;MM217416;C=CC#CC1OC1C=C;LDXYIXRLCZTABX-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217417;MM217417;C=CC1OC1C#CC=O;OTTWHPIFIRNVLU-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217418;MM217418;C=CC1OC1C#CC#N;HWYWXTQJURHENH-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217419;MM217419;C=CC#CC1OC1C=O;QRPMFLKHZYXCAI-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217420;MM217420;C=CC#CC1OC1C#N;MSANIBSENPZUDC-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217421;MM217421;O=CC#CC1OC1C=O;CTXKMOYUBSELCE-UHFFFAOYSA-N;124.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217422;MM217422;N#CC#CC1OC1C=O;KSPSZRMCZLFYJY-UHFFFAOYSA-N;121.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217423;MM217423;N#CC1OC1C#CC=O;YRYDUTOTNMFMQA-UHFFFAOYSA-N;121.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217424;MM217424;N#CC#CC1OC1C#N;IARJMDWESMMHTB-UHFFFAOYSA-N;118.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217425;MM217425;C=CC#CC1CN1C=N;UKPRRCOOCKSCIE-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217426;MM217426;N=CN1CC1C#CC=O;UAANULCFUWBCQS-UHFFFAOYSA-N;122.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217427;MM217427;N#CC#CC1CN1C=N;BYRRSRASQFKYNJ-UHFFFAOYSA-N;119.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217428;MM217428;C=CC#CC1CN1C=O;QMHWKGJDXPPCSH-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217429;MM217429;O=CC#CC1CN1C=O;WELVZWQTRIIFQF-UHFFFAOYSA-N;123.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217430;MM217430;N#CC#CC1CN1C=O;SLUXBIQDYHCLHG-UHFFFAOYSA-N;120.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217431;MM217431;C=CC#CC1CN1N=C;JESBIAWIIYIWSL-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217432;MM217432;C=NN1CC1C#CC=O;PWRBFXPWOSXPQQ-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217433;MM217433;C=CC1=CC(=NN)OC1;WIZFMUQJYGIOEA-UHFFFAOYSA-N;124.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217434;MM217434;C#CC#CC1CC1C=C;QZCWLHPCOXCLNU-UHFFFAOYSA-N;116.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217435;MM217435;C#CC#CC1CC1C=O;FJBZNJNZHKZTRN-UHFFFAOYSA-N;118.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217436;MM217436;C#CC#CC1CC1C#N;MAAIMWHTPNFARE-UHFFFAOYSA-N;115.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217437;MM217437;C#CC#CC1NC1C=C;HGBHSJDNOCPPOK-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217438;MM217438;C=Cn1cc(CO)cn1;NNLHOACGXCWDKA-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217439;MM217439;OC1CCC2(CF)NC12;VXIMGHSDLJCYDA-UHFFFAOYSA-N;131.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217440;MM217440;C#CC#CC1OC1C=C;HJFGBPQWLHFUMZ-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217441;MM217441;C#CC#CC1OC1C=O;DPXYHTAQUKMETI-UHFFFAOYSA-N;120.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217442;MM217442;C#CC#CC1OC1C#N;KTFBMLZIIGEYTJ-UHFFFAOYSA-N;117.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217443;MM217443;C#CC#CC1CN1C=N;ADRZPUGWJFMIOM-UHFFFAOYSA-N;118.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217444;MM217444;C#CC#CC1CN1C=O;UCHDZTOXQAMHST-UHFFFAOYSA-N;119.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217445;MM217445;C#CC#CC1CN1N=C;AYTLCWNQTBQALW-UHFFFAOYSA-N;118.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217446;MM217446;C#CC1CC1C#CCC;AWELCEFBVVVZKM-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217447;MM217447;C#CC1CC1C#CCN;OWEHIXMNYHMTJX-UHFFFAOYSA-N;119.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217448;MM217448;C#CC1CC1C#CCO;AGIKMWIVDIPMNL-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217449;MM217449;C#CC1CC1C#CCF;MIHCNZIXHMLDSS-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217450;MM217450;C#CC1NC1C#CCC;BRPFZFRNFNIBQX-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217451;MM217451;C#CC1NC1C#CCN;TUSQPBJHTXLHQO-UHFFFAOYSA-N;120.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217452;MM217452;CNC(=O)C1NC1C#N;LBUVVJDTEQFPGV-UHFFFAOYSA-N;125.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217453;MM217453;C#CC1NC1C#CCF;IEBHCBQHKJQZPQ-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217454;MM217454;C#CC1OC1C#CCC;ZVFUVOUGPZXCOP-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217455;MM217455;C#CC1OC1C#CCN;SCNNTAOBZCMCKF-UHFFFAOYSA-N;121.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217456;MM217456;C#CC1OC1C#CCO;QYJQAFMMPFKIHN-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217457;MM217457;C#CC1OC1C#CCF;GPPMVHZSCDVFOV-UHFFFAOYSA-N;124.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217458;MM217458;C#CC1CC1C#CC=C;AJDGKWKRBCISPO-UHFFFAOYSA-N;116.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217459;MM217459;C#CC1CC1C#CC=O;BAQMHDBMXCRQPK-UHFFFAOYSA-N;118.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217460;MM217460;C#CC1CC1C#CC#N;ZWLGYFZWGFWJEC-UHFFFAOYSA-N;115.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217461;MM217461;C#CC1NC1C#CC=C;INDPRDFOPJMSSG-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217462;MM217462;C#CC1NC1C#CC=O;AXNPRYLUAFQWMD-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217463;MM217463;C#CC1NC1C#CC#N;WJWNNNZLYPFSRN-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217464;MM217464;C#CC1OC1C#CC=C;OCFYVIHDLMAFNJ-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217465;MM217465;C#CC1OC1C#CC=O;KBGQYUAZDXMAFK-UHFFFAOYSA-N;120.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217466;MM217466;C#CC1OC1C#CC#N;YCCNIDALAALMHY-UHFFFAOYSA-N;117.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217467;MM217467;C#CC#CC1CC1C#C;LOQMGLKNKBILGB-UHFFFAOYSA-N;114.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217468;MM217468;C#CC#CC1NC1C#C;KVKJFOGZOVOIOG-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217469;MM217469;C#CC#CC1OC1C#C;XFJLOSCERNGBLR-UHFFFAOYSA-N;116.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217470;MM217470;C=CC1C=CCC1C#N;WVFGKFSWJVCVPN-UHFFFAOYSA-N;119.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217471;MM217471;C#CC1C=CCC1C=C;DSEZSDIYQGOLTO-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217472;MM217472;C#CC1CC=CC1C=C;PQLBWHQERVIBIU-UHFFFAOYSA-N;118.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217473;MM217473;CCn1oncc1=NC;VKEIXOUEIKXRSC-UHFFFAOYSA-N;127.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217474;MM217474;C=Cn1oncc1=NC;RUBRTEPITREEOV-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217475;MM217475;CC=c1ccoc1=CC;XSLVCWWAXWCGJK-UHFFFAOYSA-N;122.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217476;MM217476;CC=c1ccoc1=CF;OOVYTBXDNOQDQO-UHFFFAOYSA-N;126.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217477;MM217477;C#CC1CCC=C1C=C;GOBYDTIPIXBTTF-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217478;MM217478;N#CC1=CCC=C1C#N;HRUSBFHYDNGSFQ-UHFFFAOYSA-N;116.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217479;MM217479;C#CC1=CCC=C1C#N;UHPVKLBHOFLGAO-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217480;MM217480;C#CC1=CCC=C1C#C;JFWVERYMGQINSE-UHFFFAOYSA-N;114.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217481;MM217481;C#Cc1c[nH]cc1C#C;JUIDGIZHHIVVON-UHFFFAOYSA-N;115.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217482;MM217482;N#CC#Cc1cc[nH]n1;OBLOKMYYUSCKLC-UHFFFAOYSA-N;117.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217483;MM217483;C#CC1=C(C#C)CCC1;SOLHZAGCJNSNQH-UHFFFAOYSA-N;116.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217484;MM217484;C#CC1=C(C#N)CC=C1;YAXXTRCZPAENKI-UHFFFAOYSA-N;115.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217485;MM217485;C#CC1=C(C#C)CC=C1;HFJIOGNNRCLEMR-UHFFFAOYSA-N;114.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217486;MM217486;C#Cc1cc[nH]c1C#C;SNUXTHXDCUJVGO-UHFFFAOYSA-N;115.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217487;MM217487;CCCCC(C)C1CC1;IYZQDBIQGSJSEX-UHFFFAOYSA-N;126.24;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217488;MM217488;CC(CCCN)C1CC1;VCZKCHJSRJBHEL-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217489;MM217489;CC(CCCO)C1CC1;GRASOPUDEZBZIY-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217490;MM217490;CC(CCCF)C1CC1;OIYWTEVECNDWME-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217491;MM217491;CCCCC(N)C1CC1;ZGYBQDYGRMCBGL-UHFFFAOYSA-N;127.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217492;MM217492;NC(CCCO)C1CC1;FKJOWEXVVUIACQ-UHFFFAOYSA-N;129.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217493;MM217493;CC1C(O)CN2C(C)C12;NCUNCGOAHGZVFB-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217494;MM217494;CNCCC(F)C1CC1;RAUUJLZIQFRYJX-UHFFFAOYSA-N;131.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217495;MM217495;CCNCC(C)C1CC1;CWMMABZKNSZPHU-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217496;MM217496;CCNCC(N)C1CC1;VVGKTZKWVOONMS-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217497;MM217497;CCOCC(N)C1CC1;CZNFAFGMCFTQLZ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217498;MM217498;CCCNC(C)C1CC1;VGOMOCGDBFYKEW-UHFFFAOYSA-N;127.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217499;MM217499;CC(NCCN)C1CC1;IMKLQMUAECOHJL-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217500;MM217500;CCCOC(C)C1CC1;GANDTIIAWUJRLK-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217501;MM217501;CC(OCCN)C1CC1;PZTJRLWYRJHCGK-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217502;MM217502;CC(OCCO)C1CC1;JKJGCQLVXFTXKO-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217503;MM217503;COCOC(C)C1CC1;RFEBHAGTOPLJFN-UHFFFAOYSA-N;130.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217504;MM217504;CNCCN(C)C1CC1;FMDWGIIUYHHDJZ-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217505;MM217505;CC(CCCN)C1CN1;PHEXMRIUHMFDCD-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217506;MM217506;CCCCC(N)C1CN1;LPIFCVSGXXGAKX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217507;MM217507;NCCCC(N)C1CN1;KMZDDHZURHSXIL-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217508;MM217508;NCCCC(F)C1CN1;QUBXOJCRHQPIPC-UHFFFAOYSA-N;132.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217509;MM217509;CNCCC(C)C1CN1;BCFXJBHZXZBLDK-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217510;MM217510;CCNCC(C)C1CN1;ISHIGFRZRJBPFS-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217511;MM217511;CCNCC(N)C1CN1;MGXCGZUVNADWHD-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217512;MM217512;CCCNC(C)C1CN1;CHWVYDIFVRJCQO-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217513;MM217513;CC(NCCN)C1CN1;RPHMOPUYEAXSFF-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217514;MM217514;CC(OCCN)C1CN1;BQCIOHCWTWXSTJ-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217515;MM217515;CC(CCCN)C1CO1;UUJGECSQTZIURE-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217516;MM217516;CC(CCCF)C1CO1;AZNOQETVLZZSER-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217517;MM217517;CCNCC(C)C1CO1;XKYQNYDONTYWLZ-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217518;MM217518;CC(OCCN)C1CO1;BKQQRSVYNHQJHA-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217519;MM217519;CNCCC(C)N1CC1;KTYYAKCRGHYBNB-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217520;MM217520;CCNCC(C)N1CC1;SODFZTRCBCKKLT-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217521;MM217521;C=CCCC(C)C1CC1;NPFDOHLUHAPXFZ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217522;MM217522;CC(CCC=O)C1CC1;IYVGOEXAIUDGNV-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217523;MM217523;CC(CCC#N)C1CC1;WEUHCNMMFFLFMX-UHFFFAOYSA-N;123.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217524;MM217524;CNN(C)C(=O)C1CO1;ZRTJBKKYVICGQQ-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217525;MM217525;N#CCCC(O)C1CC1;QYJZADKOPCOPOY-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217526;MM217526;N#CCCC(F)C1CC1;OBIUMIBXNONBHU-UHFFFAOYSA-N;127.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217527;MM217527;N=CNCC(N)C1CC1;UJJAIZSSYJOLGE-UHFFFAOYSA-N;127.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217528;MM217528;NC(COC=O)C1CC1;UJBNWIPYRKDKSH-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217529;MM217529;C=CCNC(C)C1CC1;HMINMUTZYQLBEA-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217530;MM217530;CC(NCC#N)C1CC1;UQGJGCMFKBXRSN-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217531;MM217531;CC(NNC=N)C1CC1;KIPRUZYUBFSNPI-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC3";;;;;;;0.52;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217532;MM217532;C=CCOC(C)C1CC1;IOZHAAOJGSKMEV-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217533;MM217533;CC(OCC=O)C1CC1;WZTYCAAIPXYPAK-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217534;MM217534;CC(OCC#N)C1CC1;CUMDFZFMJKEMMZ-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217535;MM217535;N#CCCC(F)C1CN1;WCENILNCQIRZCD-UHFFFAOYSA-N;128.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217536;MM217536;NC(CNC=O)C1CN1;XWOSPJHUUNEYNE-UHFFFAOYSA-N;129.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217537;MM217537;C=COCC(N)C1CN1;DSNXAMIBCCZOAW-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217538;MM217538;C=CCNC(C)C1CN1;YACNCIRXKSNKJW-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217539;MM217539;CC(NNC=N)C1CN1;GZROWLZSTPFBAN-UHFFFAOYSA-N;128.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217540;MM217540;C=CCCC(C)C1CO1;VZNGNCCGWNWADI-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217541;MM217541;CC(CCC#N)C1CO1;VBDCYXYOZCGHMC-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217542;MM217542;C=NNCC(C)(O)CCO;XXKHMKSNJQWTKI-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217543;MM217543;CC(NNC=N)C1CO1;PQJAZQUNSCGNFH-UHFFFAOYSA-N;129.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217544;MM217544;C=CCOC(C)C1CO1;XHZDWHXGECZCAL-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217545;MM217545;CC(OCC=O)C1CO1;BDNCNWKEEMPBLI-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217546;MM217546;CC(OCC#N)C1CO1;BXYFBFTUPVOBOI-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217547;MM217547;C=NNCC(C)(O)CCF;MKWLNKSCKLMEMK-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217548;MM217548;CC(CCC#N)N1CC1;JVOXLGMGQADCQD-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217549;MM217549;CC(=O)C(F)=CN(O)C=N;IGGBREMNUFEFNN-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217550;MM217550;C#CCCC(C)C1CC1;SZMQANSZCAHILD-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217551;MM217551;NN=CN(O)C=CC(N)=O;IBDWZCCCRWRTKB-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217552;MM217552;C#CCNC(C)C1CC1;SEPASRKVTJNTDC-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217553;MM217553;C#CCOC(C)C1CC1;NZMFBKMGRLSXER-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217554;MM217554;C#CCCN(C)C1CC1;IGNNKKGESJINKA-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217555;MM217555;C#CCNC(C)C1CN1;KQQQTZJLVURXOX-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217556;MM217556;C#CCCC(C)C1CO1;XQBWOAJAAJNMFU-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217557;MM217557;C#CCNC(C)C1CO1;UEWVIOFZZMIHDS-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217558;MM217558;C#CCOC(C)C1CO1;QFWSMSLBFSJZIH-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217559;MM217559;C=C(CCCC)C1CC1;XKNUXGPAXPCWOX-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217560;MM217560;C=C(CCCN)C1CC1;LBKWYFDXOBUHDQ-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217561;MM217561;CN(N)C(=O)NCC(N)=O;GYPONALSDLNCJU-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217562;MM217562;C=C(CCNC)C1CC1;AFDRSAAVWZZRDB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217563;MM217563;C=C(CCOC)C1CC1;OYEQSBYWGRUULY-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217564;MM217564;C=C(COCC)C1CC1;SIOMDRHJKXIHHT-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217565;MM217565;CCOCC(=O)C1CC1;NWPKUYDSRPSIJE-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217566;MM217566;CCCNC(=N)C1CC1;GZIUPUYHBNXOFY-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217567;MM217567;CC(O)C=NN(C)C(N)=O;IGNUFIDYRMKSGG-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217568;MM217568;O=C(NCCO)C1CC1;BHKMELXTOIEUGK-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217569;MM217569;CCNNC(=N)C1CC1;FTUUXGKLEWSLJQ-UHFFFAOYSA-N;127.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217570;MM217570;CNCC(=O)OC(=N)NO;QVQKOKQOQWCHOR-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217571;MM217571;CCONC(=N)C1CC1;YYLHHHLPKPRKLJ-UHFFFAOYSA-N;128.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217572;MM217572;CCCOC(=O)C1CC1;ISTGAWZGAGOYJK-UHFFFAOYSA-N;128.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217573;MM217573;NCCOC(=O)C1CC1;ZPVNNHSDCBFLMW-UHFFFAOYSA-N;129.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217574;MM217574;COCOC(=O)C1CC1;INDJJCYVVRWCCG-UHFFFAOYSA-N;130.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217575;MM217575;C=C(CCCN)C1CN1;QUJXGRLZGWFMLO-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217576;MM217576;N=C(NO)OC(=O)C=CN;SGYQEDSPAOUVQJ-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217577;MM217577;C=C(CCNC)C1CN1;MBNDBKXDPBGVGQ-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217578;MM217578;N=C(NO)OC(=O)C=NN;UGSVJOLLVZYAON-UHFFFAOYSA-N;146.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217579;MM217579;CCCNC(=N)C1CN1;DYOGGIRAHCATDH-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217580;MM217580;CN=CN(O)C=C(F)CF;RXPSBHUHHGTPRX-UHFFFAOYSA-N;150.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217581;MM217581;CC(C)OC(=NC=N)NO;INFPVXADMCGVDQ-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217582;MM217582;CCNNC(=N)C1CN1;RIQGERUYCGTKLY-UHFFFAOYSA-N;128.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217583;MM217583;CCN=C(NO)OC(C)=O;HLWKIDJUXXOVPV-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217584;MM217584;C=C(OCCC)C1CN1;CQPNCLIBUFLDQO-UHFFFAOYSA-N;127.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217585;MM217585;C=C(OCCN)C1CN1;YXGILICYZHGEII-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217586;MM217586;N=C(C=NN)N(O)CCO;VQBQIJBHUBZLBZ-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217587;MM217587;CCCOC(=O)C1CN1;YEPCVIBNQHROMW-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217588;MM217588;NCCOC(=O)C1CN1;SINZYWVIYIJWJU-UHFFFAOYSA-N;130.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217589;MM217589;CC=NNCC(O)C(C)C;QRQUHKSKNUVRCZ-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217590;MM217590;COCOC(=O)C1CN1;QNYNFIFXPVRGTP-UHFFFAOYSA-N;131.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217591;MM217591;C=C(COCC)C1CO1;BXHPRMCHXDDSIZ-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217592;MM217592;CCCNC(=N)C1CO1;IRKDLXJWOLDJEQ-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217593;MM217593;N=C(NCCN)C1CO1;SFLZJNNUQIQWLL-UHFFFAOYSA-N;129.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217594;MM217594;CCCNC(=O)C1CO1;RJNJIHIIPKPSOY-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217595;MM217595;CCNNC(=N)C1CO1;JTYAJVIWRWRPNR-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217596;MM217596;C=C(OCCC)C1CO1;JYBVRWHFEBBYMN-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217597;MM217597;CCCOC(=O)C1CO1;ORDRMVSMRFGZQD-UHFFFAOYSA-N;130.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217598;MM217598;NCCOC(=O)C1CO1;LIEJNIPVRDDBAA-UHFFFAOYSA-N;131.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217599;MM217599;COCOC(=O)C1CO1;AOWBWLFEQLIYFT-UHFFFAOYSA-N;132.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217600;MM217600;CCCCC(=N)N1CC1;RYWOZAWZESMFKE-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217601;MM217601;N=C(CCCN)N1CC1;NULBIIBXXLXKLA-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217602;MM217602;N=C(CCCO)N1CC1;CVQLANMPRKZMHU-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217603;MM217603;N=C(CCCF)N1CC1;ZWUSSHZVDMKBCF-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217604;MM217604;CCCCC(=O)N1CC1;ZFKPJODVPGDYEZ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217605;MM217605;NCCCC(=O)N1CC1;DYTJCSYOGNFGBU-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217606;MM217606;O=C(CCCO)N1CC1;ISFHNBJUMBDPRD-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217607;MM217607;CNCCC(=N)N1CC1;TYHADKRXUHMBTM-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217608;MM217608;CNCCC(=O)N1CC1;OEXZARRUGOZJBW-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217609;MM217609;COCCC(=N)N1CC1;LQWRUGGZAUNEMX-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217610;MM217610;CCOCC(=N)N1CC1;GNIONHCCYBMXSF-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217611;MM217611;CCOCC(=O)N1CC1;AOBHUSCWUJEWSF-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217612;MM217612;CCCNC(=N)N1CC1;CNNKYDIJHPDDBY-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217613;MM217613;CCCNC(=O)N1CC1;FSKVRZHJWKYLMI-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217614;MM217614;CCNNC(=N)N1CC1;ABPVTOLHEAKPMN-UHFFFAOYSA-N;128.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217615;MM217615;CCONC(=N)N1CC1;XMKOMGDSIIMDSF-UHFFFAOYSA-N;129.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217616;MM217616;CCONC(=O)N1CC1;UGIINPHPMBVTKT-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217617;MM217617;NCCOC(=O)N1CC1;LPTLDCVFFYHNJE-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217618;MM217618;O=C(OCCO)N1CC1;KKKLIHMIHIZWIG-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217619;MM217619;COCOC(=O)N1CC1;LPXLJNYVZHQRLH-UHFFFAOYSA-N;131.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217620;MM217620;C=CCCC(=C)C1CC1;UABDHISCQWVYKI-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217621;MM217621;C=C(CCC=O)C1CC1;YKUHQHBOULXXKU-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217622;MM217622;C=C(CCC#N)C1CC1;JXTUUDKNGZKVSP-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217623;MM217623;O=CCCC(=O)C1CC1;UXHDQAIVRMKCSZ-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217624;MM217624;C=C(CNC=N)C1CC1;WICCWXFOLHEGRN-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217625;MM217625;C=CC1(C)NC1C(O)CC;HYVKMVYUTCUJQK-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217626;MM217626;C=NNCC(=C)C1CC1;XWRSZACFTJCBBF-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217627;MM217627;C=COCC(=C)C1CC1;JHIXUWYRYMKOIQ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217628;MM217628;C=CCNC(=N)C1CC1;IOUGZWWMPUXBJG-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217629;MM217629;N#CCNC(=N)C1CC1;GLRBLDPLHFRXOQ-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217630;MM217630;N#CCNC(=O)C1CC1;SVJXPPDWPLMJKB-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217631;MM217631;N=CNNC(=O)C1CC1;WNZXLDMBBQCJIQ-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217632;MM217632;O=CONC(=O)C1CC1;RSNGCGYYSIGVAZ-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217633;MM217633;C=CCOC(=C)C1CC1;RCZQDSFDGLZUAG-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217634;MM217634;C=C(OCC#N)C1CC1;SOWQTCFSOWZDJN-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217635;MM217635;N#CCOC(=O)C1CC1;DBQUDJOUPBZYIE-UHFFFAOYSA-N;125.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217636;MM217636;N#CCNC(=N)C1CN1;BAOYMNVUQRGWDV-UHFFFAOYSA-N;124.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217637;MM217637;COC1(C)CN=C(NO)O1;XVWDHDRYBPUPMA-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217638;MM217638;N=CNNC(=O)C1CN1;MONSZPYUBUNWRV-UHFFFAOYSA-N;128.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217639;MM217639;C=CCOC(=C)C1CN1;CHNAMSQZDIUEQG-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217640;MM217640;C=C(OCC#N)C1CN1;UZUBOFQYFUUJRM-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217641;MM217641;C=CCOC(=O)C1CN1;SAUZLAQUBFFHLI-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217642;MM217642;N#CCOC(=O)C1CN1;DLYOOSIETDCGHB-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217643;MM217643;C=C(CCC#N)C1CO1;GKGFBJFLUXBBBF-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217644;MM217644;N=CNNC(=O)C1CO1;JPLQWOXKGDOXRD-UHFFFAOYSA-N;129.12;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217645;MM217645;C=C(OCC#N)C1CO1;RTBFPDLWSGGGCP-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217646;MM217646;C=CCOC(=O)C1CO1;JJRABCQOXFVSKG-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217647;MM217647;N#CCOC(=O)C1CO1;VNXFICHUGOBKRH-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217648;MM217648;C=CCCC(=N)N1CC1;QZNPCTDFIADULM-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217649;MM217649;N=C(CCC=O)N1CC1;SBRXCAYRTKLPEX-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217650;MM217650;N#CCCC(=N)N1CC1;KXRLHQCDZQIOOL-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217651;MM217651;C=CCCC(=O)N1CC1;OPVFCNLYYBQCPJ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217652;MM217652;CN=C(NO)OC(=O)CF;FEWXWNNUUPTMPC-UHFFFAOYSA-N;150.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217653;MM217653;N#CCCC(=O)N1CC1;PROVOGUBLQBNJA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217654;MM217654;N=CNCC(=N)N1CC1;ZPEJETSIYQVNAL-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217655;MM217655;N=C(CNC=O)N1CC1;GAUYLNZKCJDQJH-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217656;MM217656;N=CNCC(=O)N1CC1;DVQSPVUGHHZSQW-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217657;MM217657;O=CNCC(=O)N1CC1;XZCSHFGBKZLVSS-UHFFFAOYSA-N;128.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217658;MM217658;C=NNCC(=N)N1CC1;VLNDOGLONZJCJE-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217659;MM217659;C=COCC(=N)N1CC1;YLURLRGSAVCKGF-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217660;MM217660;N=C(COC=O)N1CC1;YFLMVMHNZIXZJY-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217661;MM217661;N#CCNC(=N)N1CC1;LQOSDFRZBLYSNW-UHFFFAOYSA-N;124.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217662;MM217662;N=CNNC(=N)N1CC1;WREVLDUPNNRBDY-UHFFFAOYSA-N;127.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217663;MM217663;N=C(NNC=O)N1CC1;SRBSRPVDBZLFNT-UHFFFAOYSA-N;128.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217664;MM217664;N=CNNC(=O)N1CC1;CDBJAAVKIDFVBZ-UHFFFAOYSA-N;128.14;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217665;MM217665;N=C(NOC=O)N1CC1;XGZZQCIBCVCVIW-UHFFFAOYSA-N;129.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217666;MM217666;C=CCOC(=O)N1CC1;AZBWFTLQAAVIBK-UHFFFAOYSA-N;127.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217667;MM217667;O=CCOC(=O)N1CC1;KZDRPOHHDHQDTD-UHFFFAOYSA-N;129.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217668;MM217668;N#CCOC(=O)N1CC1;BPHSSYDXFMUFNV-UHFFFAOYSA-N;126.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217669;MM217669;C#CCCC(=C)C1CC1;SQWWQLOJKSKQKG-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217670;MM217670;C#CCCC(=O)C1CC1;YXGLRENLJHKKDR-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217671;MM217671;C#CCNC(=N)C1CC1;CIJGMKXJYJECLO-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217672;MM217672;C#CCNC(=O)C1CC1;FYDSENXDPXGXEX-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217673;MM217673;C#CCOC(=C)C1CC1;AAECFLKQCMKOQG-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217674;MM217674;C#CCOC(=O)C1CC1;WUINIVMRNNQDSP-UHFFFAOYSA-N;124.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217675;MM217675;C#CCNC(=N)C1CN1;CCZKGZBPGRJGCM-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217676;MM217676;CNC(=NN)OC(=N)NO;XFJOQNLMRVZGJY-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217677;MM217677;C#CCOC(=C)C1CN1;GWTYBXWUZWYWQF-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217678;MM217678;C#CCOC(=O)C1CN1;HDSQXQZHFIKOHF-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217679;MM217679;C#CCCC(=O)C1CO1;SRLOUCKGIAYIJS-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217680;MM217680;C#CCOC(=C)C1CO1;QNIBPIGSMONZDZ-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217681;MM217681;C#CCOC(=O)C1CO1;NYLBNEUMYGGHHU-UHFFFAOYSA-N;126.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217682;MM217682;C#CCCC(=N)N1CC1;OHMXQOWVYQASHZ-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217683;MM217683;C#CCCC(=O)N1CC1;RDMDOZCXCVIERF-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217684;MM217684;C#CCNC(=N)N1CC1;NPSJYNQPWKNXJE-UHFFFAOYSA-N;123.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217685;MM217685;C#CCNC(=O)N1CC1;BJUGPNMXCIYCDQ-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217686;MM217686;C#CCOC(=O)N1CC1;PBZKXQVDYHJXIB-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217687;MM217687;CC(CC=CF)C1CC1;MUNWNRCXBBQGOJ-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217688;MM217688;CC=CCC(N)C1CC1;LVLDEALLCVMKSP-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217689;MM217689;C=CC(=O)OC(=NC)NO;BSRXCGHTEPTBQH-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217690;MM217690;CC(CC=NO)C1CC1;KBBGIRSCEUIXAJ-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217691;MM217691;CN=C(NO)OC(=O)C#N;NOQKNYKUKRLJGL-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217692;MM217692;CN=CNC(C)C1CC1;LUSHJHAGZNEEGS-UHFFFAOYSA-N;126.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217693;MM217693;CC=NNC(C)C1CC1;DJNXKUNJTWHGHA-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217694;MM217694;CC=COC(C)C1CC1;JGARFQVQHVJSBP-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217695;MM217695;CC=NOC(C)C1CC1;VKLSDPNTDFDPOE-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217696;MM217696;CC=CCN(C)C1CC1;KXFWROYLPJVRJW-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217697;MM217697;CN=CNN(C)C1CC1;HFSVDHIINJDGKB-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217698;MM217698;CN=CNC(C)C1CN1;VFOHTDNWPYNKEJ-UHFFFAOYSA-N;127.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217699;MM217699;CC=NOC(C)C1CN1;IAARJNHQBWUSJS-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217700;MM217700;CC(CC=CF)C1CO1;VLQLHFQERFTGHR-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217701;MM217701;CN=CNC(C)C1CO1;PFZDMMRLQJXOHE-UHFFFAOYSA-N;128.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217702;MM217702;CC=NNC(C)C1CO1;DUULWONMGGEQQL-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217703;MM217703;CC=COC(C)C1CO1;DRIROXLKKKXORX-UHFFFAOYSA-N;128.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217704;MM217704;CC=NOC(C)C1CO1;RKWIFCXHFWEFTA-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217705;MM217705;CN=C(NO)OC(C)=NN;OBZMFVZKHKHREX-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217706;MM217706;C=C(CC=CC)C1CC1;AZYCGMIFLXWRKP-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217707;MM217707;C=C(CC=CF)C1CC1;FRKNECZESPZHHN-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217708;MM217708;CC=CNC(=N)C1CC1;HMTFRNOJYBYAOF-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217709;MM217709;CC=CNC(=O)C1CC1;QPAIQQPVQVOVMQ-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217710;MM217710;C=C(NC=NC)C1CC1;SDACWWCCMFSEJL-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217711;MM217711;CCC(=N)N=C(NO)OC;NDJOMKFGBPSMBA-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217712;MM217712;CN=CNC(=N)C1CC1;QDBUVKYHSDGVAC-UHFFFAOYSA-N;125.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217713;MM217713;N=C(NC=NN)C1CC1;VDQWVDXXVLVDTE-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217714;MM217714;N=C(NC=NO)C1CC1;WQYMYKZXXIPLGL-UHFFFAOYSA-N;127.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217715;MM217715;COC(=N)N=C(NO)OC;HLJSSPXJNHPULI-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217716;MM217716;NN=CNC(=O)C1CC1;WOQUJOBURQKVLI-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217717;MM217717;C=C(OC=CC)C1CC1;ZEYNGFQCQUJKHK-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217718;MM217718;CC=COC(=O)C1CC1;YPHKMUSRWLSVTK-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217719;MM217719;CC=NOC(=O)C1CC1;VBZYYTQDRACIAJ-UHFFFAOYSA-N;127.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217720;MM217720;COC(=NC(=N)C#N)NO;WRKDWLBJBWKRMG-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217721;MM217721;CN=CNC(=N)C1CN1;YAIMUDYAKHBVLP-UHFFFAOYSA-N;126.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217722;MM217722;COC(=NC(C)=NN)NO;CBBGGEDBSLYJFX-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217723;MM217723;C=NOC(CO)C(=C)CC;MWMAKTVLEBKUCE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217724;MM217724;C=C(OC=CC)C1CN1;ABLVMGCZIUBUAE-UHFFFAOYSA-N;125.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217725;MM217725;C=NOC(CO)C(C)=CC;WGRORBRQOXBRBS-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217726;MM217726;C=NOC(C=COC)CO;ROQJSHNMEPCRRM-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217727;MM217727;CC=NOC(=O)C1CN1;GWMDSCXIJAUBIV-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217728;MM217728;CC=CNC(=O)C1CO1;ZDIVCTHSORVQQB-UHFFFAOYSA-N;127.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217729;MM217729;CC=NNC(=O)C1CO1;XUIRJSXUDGDDLX-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217730;MM217730;C=C(OC=CC)C1CO1;SLXRMRIFSRMJNM-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217731;MM217731;CC=COC(=O)C1CO1;ZHRHEUNMQAKNLZ-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217732;MM217732;C=NOC(C=CC#N)CO;VMHIHURXDUBXDQ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217733;MM217733;CC=NOC(=O)C1CO1;YDGGWPIBLMCXFQ-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217734;MM217734;CC=CCC(=N)N1CC1;DYOCMCDTOYGWLT-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217735;MM217735;N=C(CC=CF)N1CC1;NROQENJRTNIZFR-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217736;MM217736;CC=CCC(=O)N1CC1;IPPQREVSDYPEOH-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217737;MM217737;O=C(CC=CF)N1CC1;TWJXYMUZTDGBNE-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217738;MM217738;N=CN=C(NO)OCC=O;KTSXKSANRCBPMA-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217739;MM217739;CC=NOC(=N)N1CC1;PFJREROFQZBNCQ-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217740;MM217740;CC=NOC(=O)N1CC1;PUXNUUOATBOSDS-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217741;MM217741;CC#CCC(C)C1CC1;DGPJWVRMRGHWCI-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217742;MM217742;CC#CCC(N)C1CC1;CVSMJZIBTYIOAM-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217743;MM217743;N#CCOC(=NC=N)NO;INLKXPUPFWJKIA-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217744;MM217744;CC#CCN(C)C1CC1;JZQSKXQUJMGOFJ-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217745;MM217745;CC#CCC(N)C1CN1;COYCBXFAJVSGJH-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217746;MM217746;CC#CCC(N)C1CO1;XYFUDLOLEWAFIP-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217747;MM217747;CC#CCC(O)C1CO1;OWARKMIXVAMNOV-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217748;MM217748;C=C(CC#CC)C1CC1;AWXKPOMQEVCMJY-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217749;MM217749;CC#CCC(=O)C1CC1;JPNUPRFEVRGTQK-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217750;MM217750;C=C(CC#CC)C1CO1;ZWJWLUALDLPSQO-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217751;MM217751;CC#CCC(=N)N1CC1;UCHXAKHSCLEZEA-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217752;MM217752;CC#CCC(=O)N1CC1;QTHZYJQLZSAIPR-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217753;MM217753;CCC=CC(C)C1CC1;YPGOVFWATJWOGN-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217754;MM217754;CC(C=CCN)C1CC1;NNSCHTOHOAMJRP-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217755;MM217755;CCC=CC(N)C1CC1;MQYUARPGMVHICG-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217756;MM217756;C#CCOC(=NC=N)NO;RLJGNILCYATECZ-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217757;MM217757;NCC=CC(O)C1CC1;HEBXIXAJWNOYFH-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217758;MM217758;CCC=CC(F)C1CC1;WMSGGWWAOZBXNP-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217759;MM217759;NCC=CC(F)C1CC1;NYWPGDZWGIJWSH-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217760;MM217760;CON=CC(C)C1CC1;ILXMDEASHRHPDR-UHFFFAOYSA-N;127.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217761;MM217761;CON=CC(N)C1CC1;QPEULSFBCPXIPK-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217762;MM217762;CC(C=CCN)C1CN1;BAXZLJXMFHFRQV-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217763;MM217763;NCC=CC(N)C1CN1;KNZJNVFWTCANFU-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217764;MM217764;NCC=CC(O)C1CN1;VIDQIMBGXXNOPN-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217765;MM217765;CC(C=CCO)C1CO1;LZMFTHWTMOJZLH-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217766;MM217766;NCC=CC(N)C1CO1;PHJQFEHWXPYXOF-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217767;MM217767;NCC=CC(O)C1CO1;CLROOIGDRYPYPL-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217768;MM217768;COC=CC(C)N1CC1;QLGKFEKLMWPGCP-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217769;MM217769;CC(C=CC=O)C1CC1;CQTKNKIAPDKXPX-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217770;MM217770;CC(C=CC#N)C1CC1;RIBFMKCPVMRBMN-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217771;MM217771;C=CC=CC(N)C1CC1;KUWUJFMAHLTBQN-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217772;MM217772;C#CCN=C(NO)OC=O;KEDLUGGRBJWWPL-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217773;MM217773;O=CC=CC(O)C1CC1;YCZZNGBQZZFCOR-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217774;MM217774;C=NN=CC(C)C1CC1;OGHLLOJTGKKDGA-UHFFFAOYSA-N;124.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217775;MM217775;C=NN=CC(N)C1CC1;FOOAEGYYGZDELH-UHFFFAOYSA-N;125.18;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217776;MM217776;C=NN=CC(F)C1CC1;BSWYSRBXFFCCAP-UHFFFAOYSA-N;128.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217777;MM217777;CN(C=CC=O)C1CC1;DSYLFKBQQJAAKW-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217778;MM217778;CN(C=CC#N)C1CC1;CJGQQDRFTKVPBF-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217779;MM217779;C=CC=CC(N)C1CN1;ZTFDDBOIWNGYNY-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217780;MM217780;C=CC=CC(F)C1CN1;YSAINCCJTRHHBF-UHFFFAOYSA-N;127.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217781;MM217781;O=CC=CC(F)C1CN1;UWQCZCZNFSSYAJ-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217782;MM217782;CCOC(=NC=NC)NO;YJDHLSOVJIKLBP-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217783;MM217783;C=CC=CC(C)C1CO1;AUYMRWWRWUHJOE-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217784;MM217784;CC(C=CC#N)C1CO1;DRWVTSCHKZFMMN-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217785;MM217785;C=CC=CC(N)C1CO1;AUKXZCLAWBAZCG-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217786;MM217786;C=CC=CC(F)C1CO1;SKWDWBTXNHJXIV-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217787;MM217787;C=NN=CC(F)C1CO1;LBETYCKXLINHIE-UHFFFAOYSA-N;130.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217788;MM217788;CC(C=CC#N)N1CC1;UHSGHLHQDQFHJD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217789;MM217789;C#CC=CC(C)C1CC1;WFKUSNMVTFIVSR-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217790;MM217790;C#CC=CC(N)C1CC1;WMZWPTIQDUDJFP-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217791;MM217791;CCOC(=NC=NN)NO;IKNASHZMNQOWHS-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217792;MM217792;C#CC=NN(C)C1CC1;AHXCJINPENIDMZ-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217793;MM217793;C#CC=CC(C)C1CO1;HAOPEGVXYNGTPP-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217794;MM217794;C#CC=CC(N)C1CO1;YNRHNDIDJAYUKW-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217795;MM217795;C#CC=CC(C)N1CC1;NUTMFRSCYZOQGS-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217796;MM217796;C=C(C=CCC)C1CC1;SSIUYGSQKYRXSS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217797;MM217797;CCC=CC(=O)C1CC1;UMEGFBGTAGPHDC-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217798;MM217798;C=C(C=CCC)C1CO1;AVRFBPHFNDMWRT-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217799;MM217799;CNC=CC(=O)N1CC1;TXVZXVVXIJPOQT-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217800;MM217800;CON=CC(=O)N1CC1;NDWRXIHIIXPDQI-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217801;MM217801;C=CC=CC(=C)C1CC1;IOOWLHKXIDJTAS-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217802;MM217802;C=C(C=CC=O)C1CC1;ITDIYCFSRLALCH-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217803;MM217803;N#CC=CC(=O)C1CC1;HTGBZHBIMNTFGY-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217804;MM217804;C=NN=CC(=O)C1CC1;WLEHODMPBWAURO-UHFFFAOYSA-N;124.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217805;MM217805;NN=C(NOC=O)C(N)=O;NVJFFPBHUUKCGQ-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217806;MM217806;N#CC=CC(=O)C1CO1;MPNKPMYDQMDFFN-UHFFFAOYSA-N;123.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217807;MM217807;N=C(C=CC=O)N1CC1;NIAGBIPIRAXIMO-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217808;MM217808;N#CC=CC(=O)N1CC1;QHXYNJRGTAGJIU-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217809;MM217809;C=NN=CC(=O)N1CC1;ZDPNSBNSNRIEHX-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217810;MM217810;C#CC=CC(=C)C1CC1;GCPNDTJLZMFJIK-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217811;MM217811;C#CC=CC(=O)C1CC1;UZXFFTCYOIPUNL-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217812;MM217812;C=NNC=NC(=CC)CO;UTGCICBOLKUEBR-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217813;MM217813;C#CC=CC(=O)C1CO1;IULZXLMIVKOZKH-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217814;MM217814;C#CC=CC(=N)N1CC1;NNRFCPUJHMONRS-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217815;MM217815;C#CC=CC(=O)N1CC1;MMDJFFVKFUOJBS-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217816;MM217816;CCC#CC(C)C1CC1;NXGYUFKUIAPGNH-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217817;MM217817;CC(C#CCN)C1CC1;UXJWVNJYHXZJGP-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217818;MM217818;CC(C#CCO)C1CC1;JPTVOVRFBXFBBM-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217819;MM217819;CC(C#CCF)C1CC1;JBMWDFYNZCFABO-UHFFFAOYSA-N;126.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217820;MM217820;CCC#CC(N)C1CC1;NOALEJLDINHOHR-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217821;MM217821;NCC#CC(N)C1CC1;HGBBIAVFHQBODI-UHFFFAOYSA-N;124.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217822;MM217822;NC(C#CCO)C1CC1;RMVCCAIYJIRNRR-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217823;MM217823;NC(C#CCF)C1CC1;BHZCGEQKJFRTIN-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217824;MM217824;CCC#CC(O)C1CC1;JZFDARNKKHCJQG-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217825;MM217825;NCC#CC(O)C1CC1;RHITVSVNBHICOB-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217826;MM217826;OCC#CC(O)C1CC1;KYKINCNASHTOCR-UHFFFAOYSA-N;126.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217827;MM217827;OC(C#CCF)C1CC1;FDMOVMDDJMVQGY-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217828;MM217828;CCC#CC(F)C1CC1;RYGAEANILNCYNU-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217829;MM217829;NCC#CC(F)C1CC1;KFZBJVCGHGVJMW-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217830;MM217830;OCC#CC(F)C1CC1;LNGUHUULUAZAHN-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217831;MM217831;FCC#CC(F)C1CC1;KFSXXSRSPZYXPU-UHFFFAOYSA-N;130.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217832;MM217832;CC(C#CCN)C1CN1;RBQJLVTVHNPWKI-UHFFFAOYSA-N;124.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217833;MM217833;NCC#CC(N)C1CN1;COEOADFWBPBVTP-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217834;MM217834;NCC#CC(O)C1CN1;BUYVTRUYWUHLAT-UHFFFAOYSA-N;126.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217835;MM217835;CCC#CC(F)C1CN1;OQNBXFWXLKAHMH-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217836;MM217836;NCC#CC(F)C1CN1;SZQGMARUNWCHHJ-UHFFFAOYSA-N;128.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217837;MM217837;CNN=CN=C(NO)OC;LZYJUTXWRSBBKV-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217838;MM217838;FCC#CC(F)C1CN1;UBSDCQPZNGWPCZ-UHFFFAOYSA-N;131.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217839;MM217839;CCC#CC(C)C1CO1;SWPTXJCJIRYXEZ-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217840;MM217840;CC(C#CCN)C1CO1;LHPALOFDCZJKOO-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217841;MM217841;CC(C#CCF)C1CO1;ZXASOGWMVPCMRE-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217842;MM217842;CCC#CC(N)C1CO1;LJFRNHJFSGNELE-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217843;MM217843;NCC#CC(N)C1CO1;RKPYSLKHEVZMBP-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217844;MM217844;CCC#CC(O)C1CO1;PJSPSGCSZHZYKB-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217845;MM217845;NCC#CC(O)C1CO1;VOKIYMDIUMBJEV-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217846;MM217846;OCC#CC(O)C1CO1;ZVJBMSXELJNWLW-UHFFFAOYSA-N;128.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217847;MM217847;CCC#CC(F)C1CO1;WKTZIPNFIMYLEE-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217848;MM217848;NCC#CC(F)C1CO1;OZUMBPYOABHUGS-UHFFFAOYSA-N;129.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217849;MM217849;CCC#CC(C)N1CC1;VYLOCAGNSUGWIO-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217850;MM217850;CC(C#CCN)N1CC1;RCQPACLTJWSSRV-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217851;MM217851;C#CC(C=O)N(O)C=NC;YQPYMZMRPODFGF-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217852;MM217852;CC(C#CCF)N1CC1;OXWFRXINVOSGEQ-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217853;MM217853;C=CC#CC(C)C1CC1;MZNGSMRFLHZSJA-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217854;MM217854;CC(C#CC=O)C1CC1;ONPMGNQCHLWYLA-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217855;MM217855;CC(C#CC#N)C1CC1;ZIELERMUIWVRGS-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217856;MM217856;C=CC#CC(N)C1CC1;FGZBZONGXQLVJE-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217857;MM217857;C=CC#CC(O)C1CC1;NDGWERLTQRYLFZ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217858;MM217858;O=CC#CC(O)C1CC1;BZLPGRUBUZKYIT-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217859;MM217859;N#CC#CC(O)C1CC1;MVURIEHSLKYPJK-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217860;MM217860;C=CC#CC(F)C1CC1;WDQUEUJLSSTQFZ-UHFFFAOYSA-N;124.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217861;MM217861;O=CC#CC(F)C1CC1;BPRBKYPMOQYQMO-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217862;MM217862;N#CC#CC(F)C1CC1;DJHDRYUDYYMFFT-UHFFFAOYSA-N;123.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217863;MM217863;C=CC(=NN)N(O)CCO;DGCQRKYNXHPNOO-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217864;MM217864;O=CC=C1NN=C(NO)N1;PGMJNYJBIXRKDK-UHFFFAOYSA-N;142.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217865;MM217865;CC=Cn1cc(CO)cn1;AGZCXUFGTVKNKR-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217866;MM217866;C#CC12CC1N=C(NO)O2;FBDIMKMYWCSAHK-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217867;MM217867;CNc1n[nH]c(C#N)c1C;BIWWWALLNROHPB-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217868;MM217868;C=CC#CC(C)C1CO1;OWUWDAQEFSTIRF-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217869;MM217869;CC(C#CC=O)C1CO1;LNZYFAHDNKIRDT-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217870;MM217870;CC(C#CC#N)C1CO1;RHGGUJSLCUFFCU-UHFFFAOYSA-N;121.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217871;MM217871;C=CC#CC(O)C1CO1;PNOWAIRYLGJTQG-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217872;MM217872;O=CC#CC(O)C1CO1;SDWAYJGIRWHDQY-UHFFFAOYSA-N;126.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217873;MM217873;N#CC#CC(O)C1CO1;SPDWXPPNPHYEQG-UHFFFAOYSA-N;123.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217874;MM217874;C=CC#CC(F)C1CO1;NNIZQYFUOPDESH-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217875;MM217875;O=CC#CC(F)C1CO1;WBIZILUXRASCBG-UHFFFAOYSA-N;128.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217876;MM217876;N#CC#CC(F)C1CO1;HZEOBVGCXASCLY-UHFFFAOYSA-N;125.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217877;MM217877;C=CC#CC(C)N1CC1;BAFJFACUXSICAD-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217878;MM217878;CC(C#CC=O)N1CC1;XLUPFJSGBYHLIJ-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217879;MM217879;CC(C#CC#N)N1CC1;GGMVIWNAPWCJNF-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217880;MM217880;C#CC#CC(C)C1CC1;KPISTEXYPVZKGU-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217881;MM217881;C#CC#CC(N)C1CC1;AJJGEEUUQWKHHH-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217882;MM217882;C#CC#CC(O)C1CC1;HAUVGXKZYJAYNB-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217883;MM217883;C#CC#CC(F)C1CC1;YYGRDVAEWHQAFO-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217884;MM217884;C=CC1C(C(O)CC)N1C;QLQXHIVSCPXRBC-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217885;MM217885;C#CC#CC(C)C1CO1;IQRHDROVPYYFDO-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217886;MM217886;C#CC#CC(O)C1CO1;OAMAQKYZGKLSOT-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217887;MM217887;C#CC#CC(F)C1CO1;FPVIRBKXHAGGNM-UHFFFAOYSA-N;124.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217888;MM217888;C#CC#CC(C)N1CC1;UNJWRNZUCRUIKJ-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217889;MM217889;C=C(C#CCC)C1CC1;RQZRJRXZUGGTFE-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217890;MM217890;C=C(C#CCN)C1CC1;PGAMTYVTTQOLNY-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217891;MM217891;C=C(C#CCO)C1CC1;NVJLDRHYDRRKOW-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217892;MM217892;C=C(C#CCF)C1CC1;JOCWVNIEAUOGDC-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217893;MM217893;CCC#CC(=O)C1CC1;FEMOLKXQUOJHEG-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217894;MM217894;O=C(C#CCO)C1CC1;DMNFKTSVJLGRPT-UHFFFAOYSA-N;124.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217895;MM217895;O=C(C#CCF)C1CC1;HIEZECKKSGFTPC-UHFFFAOYSA-N;126.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217896;MM217896;C=C(C#CCC)C1CN1;PXWBDWQYPBYLGP-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217897;MM217897;C=C(C#CCN)C1CN1;GYVVSVOLTQZOBT-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217898;MM217898;C=NN(C=N)C1C(C)C1O;UUUBNWYKIGFKJO-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217899;MM217899;C=C(C#CCF)C1CN1;PJZJNIKAEORYDM-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217900;MM217900;CCC1=NOC(CO)C=C1;VRSLCMZQKYYSOC-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217901;MM217901;C=CC1=NOC(CO)C=C1;WNJDQUDUNUWOHY-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217902;MM217902;O=CC1=CN=C(NO)OC1;HPWWHUULVMOTHT-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217903;MM217903;C=C(C#CCC)C1CO1;MSLZXWAPMMPXHG-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217904;MM217904;C=C(C#CCN)C1CO1;AAIPOBPDYBWLSQ-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217905;MM217905;C=C(C#CCO)C1CO1;GGGYNVRHRHHQFA-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217906;MM217906;C=C(C#CCF)C1CO1;AHIKLTJNUZPXLY-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217907;MM217907;CCC#CC(=O)C1CO1;FLWWWDUXLRRTNA-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217908;MM217908;O=C(C#CCO)C1CO1;USPSMTWUQLENCH-UHFFFAOYSA-N;126.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217909;MM217909;O=C(C#CCF)C1CO1;VLVAQFZRMGKOIV-UHFFFAOYSA-N;128.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217910;MM217910;CCC#CC(=N)N1CC1;IYHYXYRIQUXDEU-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217911;MM217911;N=C(C#CCN)N1CC1;JKMXZDXFYKCWLQ-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217912;MM217912;N=C(C#CCO)N1CC1;WRWBBIFJEGVJOV-UHFFFAOYSA-N;124.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217913;MM217913;N=C(C#CCF)N1CC1;HSNKEAYVKHYRDM-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217914;MM217914;CCC#CC(=O)N1CC1;DWRHKKLQUPUHST-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217915;MM217915;O=C(C#CCO)N1CC1;ASNSAXIXBROTQR-UHFFFAOYSA-N;125.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217916;MM217916;O=C(C#CCF)N1CC1;OSGZUZDPSQHSHT-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217917;MM217917;C=CC#CC(=C)C1CC1;QXQLGOXQEPAOPW-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217918;MM217918;C=C(C#CC=O)C1CC1;BPBYOWJYLKVLNY-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217919;MM217919;C=C(C#CC#N)C1CC1;SXZLQMRYCUVVLH-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217920;MM217920;C=CC#CC(=O)C1CC1;GGGZIPLLBUOSAF-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217921;MM217921;O=CC#CC(=O)C1CC1;ZNADZPRCVAATNH-UHFFFAOYSA-N;122.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217922;MM217922;N#CC#CC(=O)C1CC1;PYXXSSHAIFICOK-UHFFFAOYSA-N;119.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217923;MM217923;C=CC#CC(=C)C1CN1;DOQDUVQPMPURCP-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217924;MM217924;C=C(C#CC=O)C1CN1;TVKXGIRCSGVZSQ-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217925;MM217925;C=C(C#CC#N)C1CN1;XYNAIJYFWSNVQD-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217926;MM217926;OCC1NC1C1(CO)CN1;XLLFDANIZNWLRC-UHFFFAOYSA-N;144.17;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217927;MM217927;ONC1=NCCO1;NAQCWYLGXMXVGR-UHFFFAOYSA-N;102.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217928;MM217928;CN=CN(O)C=CF;QNCDPXJJVQYZRX-UHFFFAOYSA-N;118.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217929;MM217929;C=CC#CC(=C)C1CO1;ZIQWHLLIPJGUCJ-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217930;MM217930;C=C(C#CC=O)C1CO1;QFXDHWGWRKEHCR-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217931;MM217931;C=C(C#CC#N)C1CO1;OHWYFKMQKDRBAS-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217932;MM217932;C=CC#CC(=O)C1CO1;LMHSESMCVJSKID-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217933;MM217933;O=CC#CC(=O)C1CO1;ONZKDWVTIOBSHR-UHFFFAOYSA-N;124.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217934;MM217934;N#CC#CC(=O)C1CO1;YFBLXQPFFSVDTB-UHFFFAOYSA-N;121.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217935;MM217935;C=CC#CC(=N)N1CC1;HHAKAIPBXZLLTI-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217936;MM217936;C=CC#CC(=O)N1CC1;USAUDYKUGXFZKD-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217937;MM217937;O=CC#CC(=O)N1CC1;AEFQRHUUNKBSPW-UHFFFAOYSA-N;123.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217938;MM217938;N#CC#CC(=O)N1CC1;NPEXCUZRXRVLFP-UHFFFAOYSA-N;120.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217939;MM217939;C#CC#CC(=C)C1CC1;BRXDZUPYRLRXEB-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217940;MM217940;C#CC#CC(=O)C1CC1;IAWITXZFPIUTEX-UHFFFAOYSA-N;118.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217941;MM217941;C#CC#CC(=C)C1CN1;JBVBPKAYNNFEPM-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217942;MM217942;CC1CN=C(NO)O1;VEODCZBYRRKRRL-UHFFFAOYSA-N;116.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217943;MM217943;C#CC#CC(=C)C1CO1;DZDSDDGSQGGCCX-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217944;MM217944;C#CC#CC(=O)C1CO1;DGYWXFYYTSRWFM-UHFFFAOYSA-N;120.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217945;MM217945;C#CC#CC(=O)N1CC1;BQMWEXFQBIHCDN-UHFFFAOYSA-N;119.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217946;MM217946;CCCC=C(C)C1CC1;URESLXNGUDTVNU-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217947;MM217947;CC(=CCCN)C1CC1;FVVFOMBTOGDTER-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217948;MM217948;NCCC=C(F)C1CC1;SSGDBFLSCBUUNF-UHFFFAOYSA-N;129.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217949;MM217949;CNCC=C(F)C1CC1;ZLQBZDIEHJIDBE-UHFFFAOYSA-N;129.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217950;MM217950;COCC=C(F)C1CC1;RVQDODUEPPKBCK-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217951;MM217951;CCOC=C(C)C1CC1;QAMAAFPKUSKXMC-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217952;MM217952;CCOC=C(F)C1CC1;QFYKEKIUWWVQQB-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217953;MM217953;CCNN=C(C)C1CC1;ZPEDWCVFUNHEKR-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217954;MM217954;CCON=C(C)C1CC1;SATGIJRZZQBLNY-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217955;MM217955;CC(=CCCN)C1CN1;XDSGUUXDHDDOHY-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217956;MM217956;NCCC=C(F)C1CN1;JZKHRFZHTWPFGR-UHFFFAOYSA-N;130.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217957;MM217957;CCOC=C(F)C1CN1;HNLBKYSJEKFLBS-UHFFFAOYSA-N;131.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217958;MM217958;CCON=C(C)C1CN1;GRSAWIULZAEACK-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217959;MM217959;CCCC=C(F)C1CO1;OMJVCNSHXASPEM-UHFFFAOYSA-N;130.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217960;MM217960;NCCC=C(F)C1CO1;IKHDOMVAEFCGOX-UHFFFAOYSA-N;131.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217961;MM217961;CCCN=C(C)N1CC1;BUVPMYPECZDXPH-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217962;MM217962;CC(=NCCN)N1CC1;AVUYTYQGVOIJKJ-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217963;MM217963;CC(=NCCF)N1CC1;ZGVSQKPSGGPTKG-UHFFFAOYSA-N;130.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217964;MM217964;C=CCC=C(C)C1CC1;YBHOEZWTBNSVMT-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217965;MM217965;CC(=CCC#N)C1CC1;USLBLJRVBQFKKA-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217966;MM217966;C=CCC=C(F)C1CC1;ODPXPUYIXXEXOM-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217967;MM217967;N#CCC=C(F)C1CC1;HHOQLFUWMRMPAP-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217968;MM217968;CC(=CNC=N)C1CC1;WOHIUFLDDMEDDA-UHFFFAOYSA-N;124.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217969;MM217969;CC(=CNC=O)C1CC1;RSXVXCFAEDSBQA-UHFFFAOYSA-N;125.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217970;MM217970;N=CNC=C(F)C1CC1;JAXSFBRXCWQOMU-UHFFFAOYSA-N;128.15;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217971;MM217971;O=CNC=C(F)C1CC1;KIYBCAJFKLVNSH-UHFFFAOYSA-N;129.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217972;MM217972;CC(=COC=O)C1CC1;NFPUKQHBQARTPN-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217973;MM217973;C=COC=C(F)C1CC1;CTXKCNPMJODGML-UHFFFAOYSA-N;128.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217974;MM217974;C=CCC=C(F)C1CN1;ZXHSTVCOCCHKRE-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217975;MM217975;CC(=CNC=N)C1CN1;QQADPZHLADZTGU-UHFFFAOYSA-N;125.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217976;MM217976;N=CNC=C(F)C1CN1;KPKDJHHUWDHGNG-UHFFFAOYSA-N;129.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217977;MM217977;C=COC=C(F)C1CN1;HOFIPABBBQPVKK-UHFFFAOYSA-N;129.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217978;MM217978;C=CCC=C(C)C1CO1;ZXJAHEVHHIGCIF-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217979;MM217979;CC(=CCC#N)C1CO1;QVACRVJYMCOAOY-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217980;MM217980;N=CNC=C(F)C1CO1;GJACJIBEFRWKCT-UHFFFAOYSA-N;130.12;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217981;MM217981;C=CCN=C(C)N1CC1;IOEANUJQIKOFIR-UHFFFAOYSA-N;124.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217982;MM217982;CC(=NCC=O)N1CC1;ISLFZIAUXCKQHX-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217983;MM217983;CC(=NCC#N)N1CC1;PWBJLTNHXMSMCP-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217984;MM217984;CC(=NNC=O)N1CC1;DPCDOOKKTBGDHS-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217985;MM217985;CC(=NOC=O)N1CC1;DWZOBVCCAXUKIF-UHFFFAOYSA-N;128.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217986;MM217986;C#CCC=C(C)C1CC1;CCEKCCJXMWAJDJ-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217987;MM217987;C#CCC=C(F)C1CC1;UTCOUWAZLIEYGP-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217988;MM217988;C#CCC=C(F)C1CN1;HODGZLYVTKHUDG-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217989;MM217989;C#CCC=C(C)C1CO1;UXVWRGPKJJRQCV-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217990;MM217990;C#CCN=C(C)N1CC1;IEZONONQDFMJMY-UHFFFAOYSA-N;122.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217991;MM217991;CC=CC=C(C)C1CC1;YRBUATSLYYDJBK-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217992;MM217992;CC=CC=C(F)C1CC1;MEVCTWNUMUGJEU-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217993;MM217993;NN=CC=C(F)C1CC1;BJSGFSIBQZEZCC-UHFFFAOYSA-N;128.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217994;MM217994;CC=NN=C(C)C1CC1;OECSDUMMKMUUGY-UHFFFAOYSA-N;124.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217995;MM217995;CC=CC=C(F)C1CN1;DWVGSRRDZAHERM-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217996;MM217996;NN=CC=C(F)C1CN1;MNRNCAPXLJRGBJ-UHFFFAOYSA-N;129.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217997;MM217997;CC=NN=C(C)C1CN1;LQPUREVBKIWEOD-UHFFFAOYSA-N;125.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217998;MM217998;CC=CC=C(C)C1CO1;NEDOWYBTDSBOLH-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM217999;MM217999;CC=CC=C(F)C1CO1;HZGYLSUTELXLKR-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218000;MM218000;NN=CC=C(F)C1CO1;MNFQSSRJFJCQGC-UHFFFAOYSA-N;130.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218001;MM218001;CC1=CC(=NN)OC1;CEQHWPQYPDSBAF-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218002;MM218002;CC1COC(NO)=N1;ILKSKEVFVCLWHB-UHFFFAOYSA-N;116.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218003;MM218003;CC(=NC=NO)N1CC1;QCSLHVMXDLBWAG-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218004;MM218004;CC=NN=C(C)N1CC1;ZBMOOFVUOLJBCO-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218005;MM218005;N=CNN=C(N)N1CC1;WREVLDUPNNRBDY-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218006;MM218006;CC#CC=C(C)C1CC1;JYOKFALNDVRICE-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218007;MM218007;CC#CC=C(F)C1CC1;UECCHWFBCXWGCZ-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218008;MM218008;CC#CC=C(F)C1CN1;PSANCFQGGIQKIE-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218009;MM218009;CC#CC=C(C)C1CO1;KVGPADPMEKFEDO-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218010;MM218010;CC#CC=C(F)C1CO1;CHAHXDSGXMWTSC-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218011;MM218011;C=COC(C#N)C1CC1;APARCIPJYLXOGU-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218012;MM218012;C#CC(OC=O)C1CN1;JDHJPHNVKMBDIH-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218013;MM218013;C#CCC(C#C)N1CC1;PWACOIQNFUCNHT-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218014;MM218014;CC#CC(CC)C1CC1;GNDIJSGYAQMKOM-UHFFFAOYSA-N;122.21;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218015;MM218015;C=CC(C#CC)C1CC1;AKQWKIXDRLFJJI-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218016;MM218016;CC#CC(C#N)C1CC1;VFGSIBZDEJZSIQ-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218017;MM218017;CC1NC(C#N)C1=O;HZSFOCJRQPZZLM-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218018;MM218018;C#CC(C#CC)C1CC1;BZNVPOJBSDJXFZ-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218019;MM218019;C#CC(C#CC)C1CO1;QLSYVWFPMVMAGW-UHFFFAOYSA-N;120.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218020;MM218020;C#CC(C#CC)N1CC1;LILPVXZAEOLXPW-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218021;MM218021;CC#CC(=CC)C1CC1;OSAXDALDLKLFBF-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218022;MM218022;CCC(=CC#N)N1CC1;GHZSIFXHQPOZHP-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218023;MM218023;C=CC(=CCC)C1CC1;ONFFFAOQMWXZRI-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218024;MM218024;CCC=C(C#N)C1CC1;MCKIGVUDMPMBQF-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218025;MM218025;C=CC(=COC)C1CC1;IWQYKWAITSRWTD-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218026;MM218026;C=CC(=NOC)C1CC1;JRPXJZFLOXPYFS-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218027;MM218027;C=CC=C(C=C)C1CC1;NRSKRRGZXNTINZ-UHFFFAOYSA-N;120.2;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218028;MM218028;C=CC(=CC=O)C1CC1;LVFGMXGUWRNOPX-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218029;MM218029;C=CC(=CC#N)C1CC1;YHBJBFSMYITRTM-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218030;MM218030;C=CC=C(C#N)C1CC1;RSXHKRUIIYOTBF-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218031;MM218031;N#CC=C(C#N)C1CC1;PYBIGSLEIKEARR-UHFFFAOYSA-N;118.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218032;MM218032;C=CC(=CC#N)C1CN1;JFPCCSBIOXPFJA-UHFFFAOYSA-N;120.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218033;MM218033;N#CC=C(C#N)C1CN1;QNULSMNOKLKMPK-UHFFFAOYSA-N;119.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218034;MM218034;N#CC=C(C#N)N1CC1;HZYPOIJBNSUKBP-UHFFFAOYSA-N;119.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218035;MM218035;N#CC(=NC=O)N1CC1;QORBLCAMRIVSAC-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218036;MM218036;C=NN=C(C#N)N1CC1;UBICXOKQKWSIRB-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218037;MM218037;C#CC=C(C#N)C1CC1;JNJFRVGCKFUCDV-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218038;MM218038;C#CC(=CCN)C1CC1;NWCDWJLCYMARHN-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218039;MM218039;C#CC(=CCO)C1CC1;RSGZYUATJSFFBC-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218040;MM218040;C#CC(=COC)C1CC1;VYRTTWUAUJNOQK-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218041;MM218041;C#CC(=CCC)C1CN1;XZDDGVOLFWBJRZ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218042;MM218042;C#CC(=COC)C1CN1;OXEGLTHCJORSNT-UHFFFAOYSA-N;123.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218043;MM218043;C#CC(=NNC)C1CN1;FSGSRNPQTBTANS-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218044;MM218044;C#CC(=NN=C)C1CC1;XFZSSTABPSGCCX-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218045;MM218045;C#CC(=CC=O)C1CN1;IWWDTBWYMXHAQK-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218046;MM218046;C#CC(=CC=C)C1CO1;CEPXVDIONMYEDJ-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218047;MM218047;C#CC(=CC=O)N1CC1;YQMJJCGSZLNEKX-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218048;MM218048;C#CC(=CC#N)N1CC1;AYZDKYRIZNIVQS-UHFFFAOYSA-N;118.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218049;MM218049;C#CC(=NC=N)N1CC1;YGJMAYQKJVEBAH-UHFFFAOYSA-N;121.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218050;MM218050;C#CC(=NN=C)N1CC1;VGDLOBACUMMZOG-UHFFFAOYSA-N;121.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218051;MM218051;C#CC=C(C#C)C1CN1;NGLWDKKYCUWTIU-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218052;MM218052;C#CC=C(C#C)C1CO1;CQMYQCCJSJMKAC-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218053;MM218053;CCCCCCC1CC1;AOJZSYZUFZULLN-UHFFFAOYSA-N;126.24;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218054;MM218054;NCCCCCC1CC1;OXAXYMIJZFAHQX-UHFFFAOYSA-N;127.23;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218055;MM218055;CON=C(N)CC(N)=O;AFITVLVPMASFAS-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218056;MM218056;CNCCCCC1CC1;IBIJFYLFMWOSFZ-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218057;MM218057;CCNCCCC1CC1;VURODBVWPSZFLF-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218058;MM218058;CCOCCCC1CC1;HXDQIYADYZDKSZ-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218059;MM218059;CCCNCCC1CC1;ZJXQHRCKLWXIED-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218060;MM218060;NCCNCCC1CC1;PDEGKIXXNQQKTQ-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218061;MM218061;OCCNCCC1CC1;RATRMLQDLWFDKL-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218062;MM218062;CCCOCCC1CC1;CBSXICKDRDMFOC-UHFFFAOYSA-N;128.22;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218063;MM218063;NCCOCCC1CC1;RQEVMIXMWREZAK-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218064;MM218064;OCCOCCC1CC1;YNJINEOLRXEBEC-UHFFFAOYSA-N;130.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218065;MM218065;CCCCNCC1CC1;GRTKZYQLXGBEGA-UHFFFAOYSA-N;127.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218066;MM218066;NCCCNCC1CC1;ALTPWTVJCUBIEI-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218067;MM218067;NCCCCNC1CC1;QNOPAFCZOLPKGX-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218068;MM218068;CNCCCNC1CC1;IZCBEEWQXIBIOP-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218069;MM218069;COCCCNC1CC1;INUVWNBQXOAVLU-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218070;MM218070;CCNCCNC1CC1;BEPNWXVPYMSDPD-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218071;MM218071;CNCCCOC1CC1;NSQBHCNBZIBELK-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218072;MM218072;NCCOCOC1CC1;LODJFFXFHJRKQC-UHFFFAOYSA-N;131.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218073;MM218073;NCCCCCC1CN1;VQUGOJDHPNDDTQ-UHFFFAOYSA-N;128.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218074;MM218074;CNCCCCC1CN1;KFVPGPKPYCHVSX-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218075;MM218075;CCNCCCC1CN1;NQCBAKLOAGJVOJ-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218076;MM218076;CCCNCCC1CN1;IJZOIZDHXVORBH-UHFFFAOYSA-N;128.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218077;MM218077;NCCOCCC1CN1;XHILLOOOPKRENP-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218078;MM218078;NCCCCCC1CO1;MBIBGDPBUWRQAN-UHFFFAOYSA-N;129.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218079;MM218079;CCNCCCC1CO1;NZASNPDJYODUOB-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218080;MM218080;CCCNCCC1CO1;DUFVNIGHIXXDGZ-UHFFFAOYSA-N;129.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218081;MM218081;CCCOCCC1CO1;WTXHGAFWRPOUJI-UHFFFAOYSA-N;130.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218082;MM218082;NCCOCCC1CO1;FVCSZOXXOSWYEY-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218083;MM218083;COCOCCC1CO1;VKWIQIIWXQMCMH-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218084;MM218084;OCCCNCC1CO1;PSHTYIALPQYYDX-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218085;MM218085;NCCCCCN1CC1;CKMRRDWMQLYFFP-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218086;MM218086;CNCCCCN1CC1;QIJIDWXKGBOMEX-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218087;MM218087;CCNCCCN1CC1;NSPLABWOAFYRQT-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218088;MM218088;NCCNCCN1CC1;XJNAQZHMIAKQOK-UHFFFAOYSA-N;129.21;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218089;MM218089;OCCNCCN1CC1;MPWOOAZRSMGWDZ-UHFFFAOYSA-N;130.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218090;MM218090;CCCOCCN1CC1;DFEMNGVVRLDINN-UHFFFAOYSA-N;129.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218091;MM218091;NCCOCCN1CC1;GQGMXVZVXROCBM-UHFFFAOYSA-N;130.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218092;MM218092;CN=CN(O)C=C(C)F;YPHITHKQCRCDGQ-UHFFFAOYSA-N;132.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218093;MM218093;C=CCCCCC1CC1;NGWWCTFUAWVMRV-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218094;MM218094;N#CCCCCC1CC1;XDVIDRARUHKIMC-UHFFFAOYSA-N;123.2;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218095;MM218095;CC1(C)CN=C(NO)O1;OFDMXIHXAYQJKS-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218096;MM218096;C=CCNCCC1CC1;ZYIPMMXBCVRBPY-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218097;MM218097;O=CCNCCC1CC1;ZQNMOTMAWNNGTK-UHFFFAOYSA-N;127.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218098;MM218098;C=CCOCCC1CC1;XXXCSHQYURMEPE-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218099;MM218099;N#CCOCCC1CC1;LINNATXRATYHIO-UHFFFAOYSA-N;125.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218100;MM218100;C=CCCCNC1CC1;XDVGYDUUVLFHNE-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218101;MM218101;N#CCCCNC1CC1;NAQRNIFZYTXWLL-UHFFFAOYSA-N;124.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218102;MM218102;C=CCNCCC1CN1;VSPXTKRGVQMETE-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218103;MM218103;N#CCCCCC1CO1;CVRAKIJWDPAJLD-UHFFFAOYSA-N;125.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218104;MM218104;C=CCNCCC1CO1;GOYXOWLVZNCHOY-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218105;MM218105;O=CCNCCC1CO1;UZZJKFPHUDLTCL-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218106;MM218106;N#CCNCCC1CO1;WFISRRHHESZMPO-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218107;MM218107;C=CCOCCC1CO1;QMXUOCRKJJJIMD-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218108;MM218108;O=CCOCCC1CO1;BUYMPRYOGIAWIY-UHFFFAOYSA-N;130.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218109;MM218109;N#CCOCCC1CO1;ZUYBCRGDIKNQQQ-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218110;MM218110;C=CCCNCC1CO1;NLZJXHKVIFFZGW-UHFFFAOYSA-N;127.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218111;MM218111;C=CCCOCC1CO1;VFPNROKSAQZUMR-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218112;MM218112;N#CCCOCC1CO1;CRJUAYSOWYEBKD-UHFFFAOYSA-N;127.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218113;MM218113;N#CCCCCN1CC1;HXLYKFZEAZRVGG-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218114;MM218114;C=CCNCCN1CC1;DKZYKWQFSFVOHW-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218115;MM218115;N#CCNCCN1CC1;XGGMYKQCOUFDCR-UHFFFAOYSA-N;125.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218116;MM218116;N=CNNCCN1CC1;SJAMOFXQGIVHKW-UHFFFAOYSA-N;128.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218117;MM218117;C=CCOCCN1CC1;LNVVPXYIQIGRGH-UHFFFAOYSA-N;127.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218118;MM218118;N#CCOCCN1CC1;MSCGTBUBHQFFTH-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218119;MM218119;C#CCCCCC1CC1;RGESFPQRYQHEFG-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218120;MM218120;C#CCNCCC1CC1;OOJPFKHBNBDGQA-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218121;MM218121;C#CCOCCC1CC1;IFZMOECUCGLDCS-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218122;MM218122;C#CCCNCC1CC1;IJFNCCLUMZMAPK-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218123;MM218123;C#CCCOCC1CC1;ATSVYUMSZMHRHO-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218124;MM218124;C#CCCCNC1CC1;JEIZSRNTQWKWGE-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218125;MM218125;C#CCCCOC1CC1;RMMSWQHJGHHCAX-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218126;MM218126;C#CCNCCC1CN1;POEGXRTWTMEMMX-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218127;MM218127;C#CCCNCC1CN1;BFIDRZYNZOCZBI-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218128;MM218128;C#CCCCCC1CO1;PWBQGVWDGWWUNI-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218129;MM218129;C#CCNCCC1CO1;KWPCTPMUBRABSI-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218130;MM218130;C#CCOCCC1CO1;SCUAKXHHCLWSDB-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218131;MM218131;C#CCCNCC1CO1;SAZCOYXJCDUIAQ-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218132;MM218132;C#CCCOCC1CO1;NYYLYIHRBCPIOT-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218133;MM218133;C#CCNCCN1CC1;CGTVFDVYVZDBEZ-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218134;MM218134;C#CCOCCN1CC1;ZUSZCPLYUCZIMH-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218135;MM218135;CC=CCCCC1CC1;WKWFRAVGNCBHOW-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218136;MM218136;NN=CNCCC1CC1;FWBXPRCCKRHABW-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218137;MM218137;CC1(C)COC(NO)=N1;VOTIWWHERHYCIG-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218138;MM218138;CC=NNCCC1CC1;KWNYEAOCDJXKNP-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218139;MM218139;CC=COCCC1CC1;HNSREQOYCLYTEP-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218140;MM218140;CC=NOCCC1CC1;JWLYFHRPQBVAPO-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218141;MM218141;CC=CCNCC1CC1;YEPGFMMRLNVAJD-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218142;MM218142;CC=CCCNC1CC1;ONTMTVCUTOEKMU-UHFFFAOYSA-N;125.22;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218143;MM218143;CC=COCOC1CC1;AJXXZRGHFKLARW-UHFFFAOYSA-N;128.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218144;MM218144;CC(=NN)OC(=N)NO;IMKAQRGUADDZMC-UHFFFAOYSA-N;132.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218145;MM218145;ON=COCOC1CC1;FOTZQRYXQITFSJ-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218146;MM218146;CC=NOCOC1CC1;CZEMQYYDJMXUAC-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218147;MM218147;CC=CCNCC1CN1;HCTNSYAJQSXAPE-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218148;MM218148;CC=CCCCC1CO1;LIPJLQXOGSUSGB-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218149;MM218149;NN=CNCCC1CO1;WFARMYUBNKVTDC-UHFFFAOYSA-N;129.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218150;MM218150;CC=NOCCC1CO1;FGXPXAVFIPENKR-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218151;MM218151;CC=NNCCN1CC1;MPNSQQQQJQEQJW-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218152;MM218152;CC=COCCN1CC1;ODOJKKXARVOQBN-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218153;MM218153;CC=NOCCN1CC1;BFJKGASGTZJJJG-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218154;MM218154;CC#CCCCC1CC1;ZKYOWZHJTIHYSZ-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218155;MM218155;CC#CCNCC1CC1;MGBBYMZHMHIHAA-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218156;MM218156;CC#CCOCC1CC1;DMZXAVYQIMPYMD-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218157;MM218157;CC#CCCNC1CC1;VPRCCXLNCQMISG-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218158;MM218158;CC#CCCCC1CO1;BKUVBCQGKONJDA-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218159;MM218159;CC#CCNCC1CO1;VOTNHXMEQYHDGU-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218160;MM218160;CC#CCOCC1CO1;ZJUDBWRATXIYDO-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218161;MM218161;CCC=CCCC1CC1;VZQVCKWOUZUIKE-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218162;MM218162;NCC=CCCC1CC1;URMFKXSZAYYJBF-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218163;MM218163;CC=CN(O)C=NOC;IJAHRCRHOCEBGM-UHFFFAOYSA-N;130.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218164;MM218164;FCC=COCC1CC1;KEWIAFFVGQIKTC-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218165;MM218165;CON=COCC1CC1;QYHMJHCTGGZTSE-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218166;MM218166;COC=NOCC1CC1;UWZQXBXACKFAGQ-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218167;MM218167;NCC=CCCC1CN1;ZUOGGPQHIGISRM-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218168;MM218168;C#CC=CN(O)C=NN;LAWKLOOIEKXYDJ-UHFFFAOYSA-N;125.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218169;MM218169;CCC=NOCC1CN1;QDSTWZKGJCBPFP-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218170;MM218170;NCC=NOCC1CN1;KGIHHBUOEDMEFE-UHFFFAOYSA-N;129.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218171;MM218171;CCC=CCCC1CO1;RORRJKPETKQQQP-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218172;MM218172;CCC=NNCC1CO1;UZHMJJXOYHTVJQ-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218173;MM218173;C=NNC=NC(=C)CO;RWTFTLXJVWXXNV-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218174;MM218174;CCC=COCC1CO1;PEGXAESUODBYIH-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218175;MM218175;NCC=NOCC1CO1;CCLMBDXVGFMQAU-UHFFFAOYSA-N;130.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218176;MM218176;CCN=C(NO)OCC;NBIHEDIGNMMBLD-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218177;MM218177;CON=CCCN1CC1;LBIGXRQSZFEXON-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218178;MM218178;C=CC=CCCC1CC1;BJKLLCJTKAYMMV-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218179;MM218179;N#CC=CCCC1CC1;OXCGDDWXCODUNZ-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218180;MM218180;C=CC=NNCC1CC1;MNYHUMRBSUXOPC-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218181;MM218181;N#CC=NNCC1CC1;JZVDSLSFQXHLQR-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218182;MM218182;C=CC=COCC1CC1;QVTOFFWPLZJYNB-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218183;MM218183;O=CC=COCC1CC1;MSTXQBISLOAYIM-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218184;MM218184;N#CC=COCC1CC1;HDGJZMLYZGZPMJ-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218185;MM218185;C=CC=NOCC1CC1;OMBFALOGKQDRPN-UHFFFAOYSA-N;125.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218186;MM218186;O=CC=NOCC1CC1;JEYHJICCORYZQL-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218187;MM218187;N#CC=NOCC1CC1;LDLKPRRSSSNVQT-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218188;MM218188;C=CC=CCNC1CC1;QRGNIUFKNGGWFY-UHFFFAOYSA-N;123.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218189;MM218189;N#CC=CCNC1CC1;LEPVOGWTMPFYIG-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218190;MM218190;C=CC=CCOC1CC1;TTXSFUZITGBINM-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218191;MM218191;CC12CC1N=C(NO)O2;WLRNOGNBMUIHEA-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218192;MM218192;O=CC=NOCC1CN1;HVGYEJRJDHAUHG-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218193;MM218193;C=CC=CCCC1CO1;LYFFDLFQSBQAFZ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218194;MM218194;N#CC=CCCC1CO1;WDWYBAZXCALXJM-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218195;MM218195;C=CC=NNCC1CO1;RRQLFADJAUEZSM-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218196;MM218196;N#CC=NNCC1CO1;QOTPLVYWQRCKER-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218197;MM218197;C=CC=COCC1CO1;ZMEAEDYLYBABQH-UHFFFAOYSA-N;126.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218198;MM218198;C=NN=COCC1CO1;XFCNDCRNPVYHHH-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218199;MM218199;C=CC=NOCC1CO1;HIABXJCFMSDQFA-UHFFFAOYSA-N;127.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218200;MM218200;O=CC=NOCC1CO1;KTURBLGVCIDHSR-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218201;MM218201;N#CC=NOCC1CO1;RMGVCKCOYNGUAM-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218202;MM218202;N#CC=CCCN1CC1;BJOAUGVUVKBDLO-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218203;MM218203;C#CC=CCCC1CC1;SVQKSGDTGBVGTK-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218204;MM218204;C#CC=NNCC1CC1;HGIAIVVKEOEWBV-UHFFFAOYSA-N;122.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218205;MM218205;C#CC=COCC1CC1;YWFYFSIFQDFCHO-UHFFFAOYSA-N;122.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218206;MM218206;C#CC=NOCC1CC1;LESLICUNXLWEAP-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218207;MM218207;C#CC=CCNC1CC1;VZFHNIRSVLCJAH-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218208;MM218208;C#CC=NOCC1CN1;PRHFTIFUYJOJBE-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218209;MM218209;C#CC=CCCC1CO1;FSIDGUDPZNLBME-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218210;MM218210;C#CC=NNCC1CO1;UPUNWIDENZLOIW-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218211;MM218211;C#CC=NOCC1CO1;MLUGXUKRDJXEEL-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218212;MM218212;CCC#CCCC1CC1;VEKSLLXUVIMRBI-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218213;MM218213;NCC#CCCC1CC1;FGBQJAZEIMYNQI-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218214;MM218214;OCC#CCCC1CC1;CJROEOSUXMRRTA-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218215;MM218215;FCC#CCCC1CC1;CPZSJQWWWHOAKY-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218216;MM218216;CCC#CCNC1CC1;AOKNLOMCOPTRJB-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218217;MM218217;NCC#CCNC1CC1;GAIOQVXGSZMZSB-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218218;MM218218;OCC#CCNC1CC1;BHITTYSIKOMZHI-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218219;MM218219;FCC#CCNC1CC1;POVUGNMRBBZCLL-UHFFFAOYSA-N;127.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218220;MM218220;CCC#CCOC1CC1;SYTGOQZRGUXYHL-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218221;MM218221;NCC#CCOC1CC1;KPWUKKQPYUZPOV-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218222;MM218222;OCC#CCOC1CC1;IACLFELRHVPMPD-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218223;MM218223;FCC#CCOC1CC1;OGDGJRGTHRCWHQ-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218224;MM218224;NCC#CCCC1CN1;XQLUDXVTEWAQIZ-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218225;MM218225;CCC#CCCC1CO1;MHMLGPBEKKVONS-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218226;MM218226;NCC#CCCC1CO1;OQXSNTGVVWEVKJ-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218227;MM218227;OCC#CCCC1CO1;ATXWKDMHCAXPCQ-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218228;MM218228;FCC#CCCC1CO1;TVOGQPSYTFXKOO-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218229;MM218229;CCC#CCCN1CC1;PXDOKIHXGSDEQR-UHFFFAOYSA-N;123.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218230;MM218230;NCC#CCCN1CC1;DQZDEIAZTWMBDS-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218231;MM218231;Cc1c(CO)cnn1N;PRRMCKBEEUIQIA-UHFFFAOYSA-N;127.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218232;MM218232;FCC#CCCN1CC1;GIEFINJVGWSUSV-UHFFFAOYSA-N;127.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218233;MM218233;C=CC#CCCC1CC1;IEIYMHLBWLLBDV-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218234;MM218234;O=CC#CCCC1CC1;JSOWWPUTCMHMNE-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218235;MM218235;N#CC#CCCC1CC1;LEWAOXFYDUHPLW-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218236;MM218236;C=CC#CCNC1CC1;WGLRWFUSZYEMCJ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218237;MM218237;C=CC#CCOC1CC1;FTIZHUUJINXLNX-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218238;MM218238;O=CC#CCOC1CC1;BGCNGBLSGOQQMH-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218239;MM218239;N#CC#CCOC1CC1;HOSHEJMAUDSUSI-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218240;MM218240;C=CC#CCCC1CO1;IJUJSXFMPXIVQL-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218241;MM218241;O=CC#CCCC1CO1;YJXSAKFURDUNQB-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218242;MM218242;N#CC#CCCC1CO1;WNDFJXKLXSFWJO-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218243;MM218243;C=CC#CCCN1CC1;FXXRVFGFIARBKX-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218244;MM218244;O=CC#CCCN1CC1;NXJWCEYMROZYKN-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218245;MM218245;N#CC#CCCN1CC1;XPBFSJXGIMIZLS-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218246;MM218246;C#CC#CCCC1CC1;QBSPFONWVFJBRO-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218247;MM218247;C#CC#CCNC1CC1;JUVHNNZPVHIRIK-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218248;MM218248;C#CC#CCOC1CC1;ULEOLZFIJRJTNE-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218249;MM218249;C#CC#CCCC1CO1;MBOZLSSUPASUQX-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218250;MM218250;C#CC#CCCN1CC1;IVGIUORGJIUFKZ-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218251;MM218251;CCCC=CCC1CC1;NYHDVZLLEMTPFE-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218252;MM218252;NCCC=CCC1CC1;FGQZJOCQKBLGGY-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218253;MM218253;OCCC=CCC1CC1;ADPMBJZWOCTZEP-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218254;MM218254;FCCC=CCC1CC1;IVDBZTAAZGWHQD-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218255;MM218255;CCOC=CCC1CC1;HPOKJUPGRZYBSB-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218256;MM218256;CCNN=CCC1CC1;IBTLEQQVKGHKBL-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218257;MM218257;CCON=CCC1CC1;PWMVPKWJSVQRBS-UHFFFAOYSA-N;127.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218258;MM218258;NCCN=CNC1CC1;VZSWNQJFOIGYDN-UHFFFAOYSA-N;127.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218259;MM218259;OCCN=CNC1CC1;RKDMQMQZTDEIQP-UHFFFAOYSA-N;128.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218260;MM218260;CCON=CNC1CC1;NFMJMAQSEBBBCS-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218261;MM218261;CCCOC(=NC)NO;WQCYCBMRJHZMEW-UHFFFAOYSA-N;132.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218262;MM218262;CN=C(NO)OCC=O;SFAOVQFDXFZXQH-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218263;MM218263;NCCC=NOC1CC1;NPYXOSDWNOTXJU-UHFFFAOYSA-N;128.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218264;MM218264;CCOC=NOC1CC1;BFNCYKAICJFTFK-UHFFFAOYSA-N;129.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218265;MM218265;CCCC=CCC1CO1;MLPREDJGCAYOTG-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218266;MM218266;NCCC=CCC1CO1;JSBLCNFDKVEKQW-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218267;MM218267;OCCC=CCC1CO1;GPVCZJXAXZQSOI-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218268;MM218268;CCNN=CCC1CO1;HDOLLCUBQZESFB-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218269;MM218269;CCON=CCC1CO1;NABXEPNVONBWNV-UHFFFAOYSA-N;129.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218270;MM218270;CCCC=CCN1CC1;UXXWZVCLXQITOP-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218271;MM218271;NCCC=CCN1CC1;CRPPCBHMBJDWDZ-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218272;MM218272;COC(=NCC=O)NO;GXTGRSHXJLNILG-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218273;MM218273;COCC=CCN1CC1;XHJGXYRANINCBO-UHFFFAOYSA-N;127.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218274;MM218274;CCOC=CCN1CC1;GCYRDCOPTJKJRQ-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218275;MM218275;CCON=CCN1CC1;CHLYYNWSCKQJLP-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218276;MM218276;CCCN=CNN1CC1;BHRAATCEFMUQOA-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218277;MM218277;C=CCC=CCC1CC1;GNHYRDVFKCYAPX-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218278;MM218278;N#CCC=CCC1CC1;ODKDCTMYTDFGGL-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218279;MM218279;C=COC=CCC1CC1;BCHOKIDBTQTUEQ-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218280;MM218280;O=COC=CCC1CC1;XMEXLKBJOOWTOU-UHFFFAOYSA-N;126.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218281;MM218281;O=CNN=CCC1CC1;JPDNIRYXZRSPDI-UHFFFAOYSA-N;126.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218282;MM218282;O=CON=CCC1CC1;NXPWCFQSXWYUPZ-UHFFFAOYSA-N;127.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218283;MM218283;C=CN=CNCC1CC1;KBOQPYDLDLBYQD-UHFFFAOYSA-N;124.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218284;MM218284;C=CCN=CNC1CC1;ZODGSPWBFKTILY-UHFFFAOYSA-N;124.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218285;MM218285;N#CCC=COC1CC1;MSGWIXOATHCSEF-UHFFFAOYSA-N;123.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218286;MM218286;O=COC=COC1CC1;FUHJUDOVRUUHLH-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218287;MM218287;N#CCC=NOC1CC1;NPXMQHVYQGQXCC-UHFFFAOYSA-N;124.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218288;MM218288;C=CN=CNCC1CN1;OVSNNAIECQZVBM-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218289;MM218289;C=CCC=CCC1CO1;PSVGYBHUJQHRNQ-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218290;MM218290;O=CCC=CCC1CO1;KNTMSXINWYJVGX-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218291;MM218291;O=CNN=CCC1CO1;FIXNWTMGSHAMEI-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218292;MM218292;N#CCC=CCN1CC1;ZJGCLYZOMXCYJS-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218293;MM218293;C=COC=CCN1CC1;DFRFALSDCVOCPR-UHFFFAOYSA-N;125.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218294;MM218294;C=CCN=CNN1CC1;DIEICEZNRVCCKD-UHFFFAOYSA-N;125.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218295;MM218295;C#CCC=CCC1CC1;ITOOWOPTZGQXEY-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218296;MM218296;C#CCC=CCC1CO1;KBJMXXAOBQUQTO-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218297;MM218297;C#CCC=CCN1CC1;RJUZXZBENCQHDU-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218298;MM218298;CC=CC=CCC1CC1;DSRRWHKYKDISGS-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218299;MM218299;FC=CC=CCC1CC1;QKYIIOXQZFLEPJ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218300;MM218300;CC=NN=CCC1CC1;QUZYDSWDDVTYCO-UHFFFAOYSA-N;124.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218301;MM218301;CCC1CN=C(NO)O1;AEPYYGHFYCJZGO-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218302;MM218302;CC=CC=NNC1CC1;YUQCZDIEJVMBRM-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218303;MM218303;ON=CC=NNC1CC1;ARYQVEMIBHRKLD-UHFFFAOYSA-N;127.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218304;MM218304;CC=NN=COC1CC1;CFGYZBCREULXIW-UHFFFAOYSA-N;126.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218305;MM218305;CC=CC=NOC1CC1;PTQDIUHCLKMPSG-UHFFFAOYSA-N;125.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218306;MM218306;CC=CC=CCC1CO1;ACOAYSTWBSAEEF-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218307;MM218307;CC=NN=CCC1CO1;CBLQULSSWCRQDM-UHFFFAOYSA-N;126.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218308;MM218308;FC=CC=CCN1CC1;LHNZSCJFIKXAGI-UHFFFAOYSA-N;127.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218309;MM218309;NN=CC=CCN1CC1;IHMKLRCNIFDEMI-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218310;MM218310;CC=NN=CCN1CC1;KSPPFJXWQXEIAF-UHFFFAOYSA-N;125.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218311;MM218311;CC#CC=CCC1CC1;SRDYRUZMHZJOQR-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218312;MM218312;CC#CC=NNC1CC1;FREAEASCPFENPP-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218313;MM218313;CC#CC=COC1CC1;WEAJKKWYNPXXQV-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218314;MM218314;CC#CC=NOC1CC1;JEIRFTVIHVMROS-UHFFFAOYSA-N;123.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218315;MM218315;CC#CC=CCC1CO1;YNRYPUVFPJADTQ-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218316;MM218316;CC#CC=CCN1CC1;AIOHIVRSDDCZRG-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218317;MM218317;CCCC#CCC1CC1;VWYAWCHCZOVWNL-UHFFFAOYSA-N;122.21;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218318;MM218318;NCCC#CCC1CC1;ORBFCLSYEZDQDO-UHFFFAOYSA-N;123.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218319;MM218319;OCCC#CCC1CC1;FGEXIPRWVGTLOT-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218320;MM218320;FCCC#CCC1CC1;AEVGRWHYVHHAOO-UHFFFAOYSA-N;126.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218321;MM218321;CNCC#CCC1CC1;ODVXWKCKRRTCKS-UHFFFAOYSA-N;123.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218322;MM218322;COCC#CCC1CC1;BBJWGAOPEQNADZ-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218323;MM218323;NCCC#CCC1CN1;MUEHCIOSXYEEER-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218324;MM218324;CNCC#CCC1CN1;HECMQZAROSOMEG-UHFFFAOYSA-N;124.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218325;MM218325;CCCC#CCC1CO1;YAIDAPRZPXIARU-UHFFFAOYSA-N;124.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218326;MM218326;NCCC#CCC1CO1;CUIAOUKVTBTHER-UHFFFAOYSA-N;125.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218327;MM218327;OCCC#CCC1CO1;ZUEHGXXBRUJOLG-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218328;MM218328;FCCC#CCC1CO1;FTMDJPZTPBKOGL-UHFFFAOYSA-N;128.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218329;MM218329;CNCC#CCC1CO1;UZLXSXQWZOKXFT-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218330;MM218330;COCC#CCC1CO1;GVGNQXWSCFPFQC-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218331;MM218331;CCCC#CCN1CC1;WEAIFMFTXFJMDS-UHFFFAOYSA-N;123.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218332;MM218332;NCCC#CCN1CC1;ZBTWNCKQVGUKLY-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218333;MM218333;ONC1=NCC(CF)O1;AZTHINCGJKRWGI-UHFFFAOYSA-N;134.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218334;MM218334;FCCC#CCN1CC1;MMMIITUGSOFFDY-UHFFFAOYSA-N;127.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218335;MM218335;CNCC#CCN1CC1;NDCHOSQXYOEQFA-UHFFFAOYSA-N;124.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218336;MM218336;COCC#CCN1CC1;NLGIPLGQDYAGHH-UHFFFAOYSA-N;125.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218337;MM218337;C=CCC#CCC1CC1;OUCVQVMWKCWULQ-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218338;MM218338;O=CCC#CCC1CC1;NOBXWOLMEQEXPQ-UHFFFAOYSA-N;122.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218339;MM218339;N#CCC#CCC1CC1;AUNRFEGHKJPQOV-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218340;MM218340;C=CCC#CCC1CO1;CEXSRBLTASBHQY-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218341;MM218341;O=CCC#CCC1CO1;AGDQSGDRUIPSRF-UHFFFAOYSA-N;124.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218342;MM218342;N#CCC#CCC1CO1;UWIXQMWZJSMBTR-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218343;MM218343;C=CCC#CCN1CC1;QKOFZCYORQIYJT-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218344;MM218344;C=CC1CN=C(NO)O1;HSKOHNQRNWGQQP-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218345;MM218345;O=CC1CN=C(NO)O1;WMORNDUUFISQRG-UHFFFAOYSA-N;130.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218346;MM218346;C#CCC#CCC1CC1;POBARBUCOIDLIQ-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218347;MM218347;C#CCC#CCC1CO1;HXSTUWGPWLPJQP-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218348;MM218348;C#CCC#CCN1CC1;WAWIRPUXOSSRRT-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218349;MM218349;CC=CC#CCC1CC1;UBLZXIBEHICGAD-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218350;MM218350;FC=CC#CCC1CC1;SIPJFLRAOZIGMP-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218351;MM218351;NN=CC#CCC1CC1;VLTLFTJQBRCQEJ-UHFFFAOYSA-N;122.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218352;MM218352;ON=CC#CCC1CC1;XKAGLXWUEYFYFJ-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218353;MM218353;CC=CC#CCC1CO1;WAEGIMZRARILAC-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218354;MM218354;FC=CC#CCC1CO1;VTPWCBXWUBJLPN-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218355;MM218355;N#CC1CN=C(NO)O1;SIAITNZDUWUPMX-UHFFFAOYSA-N;127.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218356;MM218356;ON=CC#CCC1CO1;FFOGWOSSQPCMAX-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218357;MM218357;CC=CC#CCN1CC1;UJSUXJACIHWSKD-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218358;MM218358;FC=CC#CCN1CC1;NRHWZMVDNVRZPN-UHFFFAOYSA-N;125.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218359;MM218359;NN=CC#CCN1CC1;WDLPLPVBWCJJME-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218360;MM218360;C#CC1CN=C(NO)O1;RGVNATNDOGBIRF-UHFFFAOYSA-N;126.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218361;MM218361;CC#CC#CCC1CC1;XSNRZEQYWGEEMK-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218362;MM218362;CC#CC#CCC1CO1;BTNGFOSTNALPRY-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218363;MM218363;CC#CC#CCN1CC1;QVSSBPVZFCHJDW-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218364;MM218364;CCCCC=CC1CC1;QAMUELDWLSZYFW-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218365;MM218365;NCCCC=CC1CC1;OPHMQQWSWGVNKW-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218366;MM218366;CCNCC=CC1CC1;UCARFDHHIKYHIB-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218367;MM218367;CCCOC=CC1CC1;VJPOYWXNECLAAO-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218368;MM218368;NCCOC=CC1CC1;FODMDTDVDPOHIB-UHFFFAOYSA-N;127.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218369;MM218369;OCCOC=CC1CC1;YBTZWROOSNHQSU-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218370;MM218370;FCCOC=CC1CC1;GLIOHWJFVJJGIH-UHFFFAOYSA-N;130.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218371;MM218371;CCCNN=CC1CC1;FWNRBFDTYIOJSI-UHFFFAOYSA-N;126.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218372;MM218372;NCCON=CC1CC1;IPXAUXWCWSOGPF-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218373;MM218373;COCON=CC1CC1;ITXZXOSNAQDCCE-UHFFFAOYSA-N;129.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218374;MM218374;NCCOC=CC1CN1;BUIIZXFXQFUKMZ-UHFFFAOYSA-N;128.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218375;MM218375;CCCNN=CC1CN1;NHYGAUYMEIETDZ-UHFFFAOYSA-N;127.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218376;MM218376;NCCNN=CC1CN1;DBFDIMHOKPJJPG-UHFFFAOYSA-N;128.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218377;MM218377;CCC1COC(NO)=N1;FQKSOTBCSWPCHI-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218378;MM218378;COCON=CC1CN1;YYWGZOLJOSGBPN-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218379;MM218379;CCOCC=CC1CO1;BMJNVXOHEFGOGX-UHFFFAOYSA-N;128.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218380;MM218380;NCCOC=CC1CO1;VEKLNXPOLZMKCS-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218381;MM218381;OCCOC=CC1CO1;HRAVIJBZFSSRJS-UHFFFAOYSA-N;130.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218382;MM218382;CCCNN=CC1CO1;JTFHWAOXMARNOS-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218383;MM218383;NCCON=CC1CO1;LQQIDLFRBJFJRF-UHFFFAOYSA-N;130.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218384;MM218384;CCCCN=CN1CC1;BVVVQRPAFIDGTL-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218385;MM218385;NCCCN=CN1CC1;MZGOKNWSCQZAIR-UHFFFAOYSA-N;127.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218386;MM218386;NCCON=CN1CC1;KJXQQGCAJUWKLQ-UHFFFAOYSA-N;129.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218387;MM218387;CCCCC=NN1CC1;KRYWICBLZNVDSA-UHFFFAOYSA-N;126.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218388;MM218388;NCCCC=NN1CC1;NGHHCAYJOXMRSQ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218389;MM218389;C=CC1COC(NO)=N1;QTLGBDIJDUSBNO-UHFFFAOYSA-N;128.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218390;MM218390;CNCCC=NN1CC1;HHJUSQYUUBMDNK-UHFFFAOYSA-N;127.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218391;MM218391;C=CCCC=CC1CC1;MHPKQAPNGOOJGT-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218392;MM218392;O=CCCC=CC1CC1;ODLWDABGCQESPB-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218393;MM218393;C=CCOC=CC1CC1;UEQMJKDSEZDBJQ-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218394;MM218394;O=CCOC=CC1CC1;LXLAHVCEYMJHPU-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218395;MM218395;N#CCOC=CC1CC1;YYZHCFMAHLFHIS-UHFFFAOYSA-N;123.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218396;MM218396;O=CC1COC(NO)=N1;PZIDSSVSTNAWKK-UHFFFAOYSA-N;130.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218397;MM218397;N#CCON=CC1CC1;VJEXKVWSISTGMU-UHFFFAOYSA-N;124.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218398;MM218398;C=CCNN=CC1CN1;ZXNOPKUUSYVGRY-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218399;MM218399;N#CCON=CC1CN1;OZPGTRUVNGXHFE-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218400;MM218400;C=CCCC=CC1CO1;PBCFFZAMWZQMEV-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218401;MM218401;N#CCCC=CC1CO1;OMFFJWOWQKUNNL-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218402;MM218402;O=CCOC=CC1CO1;JDAOPYQLBQMIMI-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218403;MM218403;N#CCOC=CC1CO1;FPPORKPWVVFCQZ-UHFFFAOYSA-N;125.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218404;MM218404;C=CCON=CC1CO1;NBTBTTUUMDXMEN-UHFFFAOYSA-N;127.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218405;MM218405;C#CC1COC(NO)=N1;SGKIPBCDKHLOSH-UHFFFAOYSA-N;126.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218406;MM218406;N#CCON=CC1CO1;MBIANHNARJDSPW-UHFFFAOYSA-N;126.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218407;MM218407;C=CC1NC1C(O)CC;ACFIWRYJWSOSKB-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218408;MM218408;N#CCON=CN1CC1;KQSAQCXLNZSIOW-UHFFFAOYSA-N;125.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218409;MM218409;C=CCCC=NN1CC1;KIUHUWJXGHAEMG-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218410;MM218410;C=NOCC=NN1CC1;MUSIOVQUFBKREJ-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218411;MM218411;C#CCCC=CC1CC1;KXESCGKDHMFIFE-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218412;MM218412;CCC(O)C1NC1C=O;SZVBBRRBQGYTMO-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218413;MM218413;C#CCON=CC1CC1;UHZSPSSBUITQHD-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218414;MM218414;CCN(N)C(=O)C1CO1;KFCXIVPHZYHUCJ-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218415;MM218415;C#CCON=CC1CN1;CWMGNTIBDBRXHF-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218416;MM218416;C#CCCC=CC1CO1;PTGWVBQJACQNQD-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218417;MM218417;C#CCOC=CC1CO1;BJRJUQHQRMEPRT-UHFFFAOYSA-N;124.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218418;MM218418;C#CCON=CC1CO1;KZSRJIMAFJSEJD-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218419;MM218419;C#CCCN=CN1CC1;UWRITOPVPTXTJO-UHFFFAOYSA-N;122.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218420;MM218420;C#CCON=CN1CC1;MMOBABKSQXKVAG-UHFFFAOYSA-N;124.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218421;MM218421;C#CCCC=NN1CC1;KOCJTKSHLGJXQW-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218422;MM218422;CC=CCC=CC1CC1;AGEOFELTLBOAMI-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218423;MM218423;ON=CCC=CC1CC1;GRLIWMWSNPHECL-UHFFFAOYSA-N;125.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218424;MM218424;NN=CNC=CC1CC1;OYRYKLVUDSSQFZ-UHFFFAOYSA-N;125.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218425;MM218425;CC=COC=CC1CC1;GPEGCNDBKICDAT-UHFFFAOYSA-N;124.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218426;MM218426;CN=C(NO)OC(C)(C)C;WRKURSANIOGHCK-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218427;MM218427;COC(=NC(C)(C)C)NO;XIWWXBYCVRLYLU-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218428;MM218428;CN(NC(=N)C#N)C(N)=O;JWXSOUKCNUUZCE-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218429;MM218429;CC=CN=CNC1CC1;OUYDPSNCLVIOAP-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218430;MM218430;CN=CNC=CC1CN1;LUJPVVNEOKPCFA-UHFFFAOYSA-N;125.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218431;MM218431;N#CC=C(N)CNC(N)=O;CQVPHYDNKRDVSG-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218432;MM218432;CC=CCC=CC1CO1;RCWAEHIBFJWRPH-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218433;MM218433;CC=COC=CC1CO1;NJLIUZRXQBUEDZ-UHFFFAOYSA-N;126.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218434;MM218434;CN(C)N=COC(=N)NO;NZHJLIXFKHGGMB-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218435;MM218435;CC=CCN=CN1CC1;SXQQXKBLEFHIOL-UHFFFAOYSA-N;124.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218436;MM218436;CC=CCC=NN1CC1;NKPUBLLWWIKPQX-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218437;MM218437;CC=CN=CNN1CC1;OUHOAIWSVCEQJF-UHFFFAOYSA-N;125.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218438;MM218438;CC=NOC=NN1CC1;LAMOTFKMLDTROX-UHFFFAOYSA-N;127.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218439;MM218439;CC#CCC=CC1CC1;BQCCKIKGFACABH-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218440;MM218440;CC#CCC=CC1CO1;GAOUSRMHXDRKPB-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218441;MM218441;CC#CCC=NN1CC1;JYXUGEFQPPGBFL-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218442;MM218442;NCC=CC=CC1CC1;PAKUQYUYJKKNIO-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218443;MM218443;OCC=CC=CC1CC1;BJTPRMPLIBCNRI-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218444;MM218444;FCC=CC=CC1CC1;PCLNKCDUVCNDPA-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218445;MM218445;COC=CC=CC1CC1;WBJQUZCNWBWVIW-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218446;MM218446;CCC=NN=CC1CC1;WZICTPVMJURGJU-UHFFFAOYSA-N;124.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218447;MM218447;NCC=CC=CC1CN1;VOXVZQIQVQPPCN-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218448;MM218448;COC=NN=CC1CN1;BNJBIQHXZZETIZ-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218449;MM218449;NCC=CC=CC1CO1;YVBNHWXAZQMFLW-UHFFFAOYSA-N;125.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218450;MM218450;OCC=CC=CC1CO1;MHLDWHIKPNECFF-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218451;MM218451;CNN=CC=CC1CO1;ACSGRKSKBNVXPT-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218452;MM218452;CON=CC=CC1CO1;JALZMETVVOBANG-UHFFFAOYSA-N;127.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218453;MM218453;COC=NN=CC1CO1;GSTLESIKHQMDIY-UHFFFAOYSA-N;128.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218454;MM218454;CON=CN=CN1CC1;JRVNGHPRXRMHKS-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218455;MM218455;CCC=NN=CN1CC1;HXPKWZZSPRLLML-UHFFFAOYSA-N;125.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218456;MM218456;NCC=CC=NN1CC1;LPRKUFJZOMRBSO-UHFFFAOYSA-N;125.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218457;MM218457;CN=CC=CNN1CC1;LTECZUOSVKGAJO-UHFFFAOYSA-N;125.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218458;MM218458;CON=CC=NN1CC1;TVWSNXRPSKQRBI-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218459;MM218459;O=CC=CC=CC1CC1;GOUMOYKBIWKCEU-UHFFFAOYSA-N;122.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218460;MM218460;N#CC=CC=CC1CC1;YOIPBAPTBSVMPQ-UHFFFAOYSA-N;119.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218461;MM218461;C=NN=CC=CC1CC1;KUGVOKUELXURGR-UHFFFAOYSA-N;122.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218462;MM218462;C=CC=NN=CC1CC1;OGXBJHHYWQNDSV-UHFFFAOYSA-N;122.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218463;MM218463;O=CC=NN=CC1CC1;CNXFVCNKWWMRDL-UHFFFAOYSA-N;124.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218464;MM218464;N#CC=NN=CC1CC1;MQOFVZKKWOYGIW-UHFFFAOYSA-N;121.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218465;MM218465;C=CC=NN=CC1CN1;UAQJNCKFPHEMNG-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218466;MM218466;O=CC=NN=CC1CN1;SQFRGIXSPOZOTJ-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218467;MM218467;CNN=C(C)OC(=N)NO;TYLNZHMFDDYGNP-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218468;MM218468;O=CC=CC=CC1CO1;SMWODXDQXWMSQD-UHFFFAOYSA-N;124.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218469;MM218469;N#CC=CC=CC1CO1;IESGOSGPPUGTBZ-UHFFFAOYSA-N;121.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218470;MM218470;C=NN=CC=CC1CO1;XELZARYGSXRCSO-UHFFFAOYSA-N;124.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218471;MM218471;C=CC=NN=CC1CO1;DXZCRYPXXLYLAL-UHFFFAOYSA-N;124.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218472;MM218472;O=CC=NN=CC1CO1;UEHUUTXDTHFBJN-UHFFFAOYSA-N;126.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218473;MM218473;N#CC=NN=CC1CO1;GMVXUUUFPFJKLX-UHFFFAOYSA-N;123.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218474;MM218474;C=NN=CC=CN1CC1;RJVGPMKUDQCKDH-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218475;MM218475;N#CC=CN=CN1CC1;AGVLUVPJKTXLJW-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218476;MM218476;C=CC=NN=CN1CC1;UJTOGYKMZULZIM-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218477;MM218477;O=CC=NN=CN1CC1;CTAGDANDKLGIKR-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218478;MM218478;N#CC=NN=CN1CC1;SJFAXHIWCFZNAW-UHFFFAOYSA-N;122.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218479;MM218479;C#CC=CC=CC1CC1;GSMJWCUPBMYLEU-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218480;MM218480;C#CC=NN=CC1CC1;FKTXOSFZNAPTRT-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218481;MM218481;C#CC=NN=CC1CN1;WTLKJJYBLURGBF-UHFFFAOYSA-N;121.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218482;MM218482;C#CC=CC=CC1CO1;KXMJVSQYPJIIRY-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218483;MM218483;C#CC=NN=CC1CO1;TVTKPWPVICLJIL-UHFFFAOYSA-N;122.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218484;MM218484;C#CC=NN=CN1CC1;GVJBSYVKQVXTQW-UHFFFAOYSA-N;121.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218485;MM218485;CCC#CC=CC1CC1;UERMJAQWLSIRND-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218486;MM218486;NCC#CC=CC1CC1;FHTQDBGBDOBVHI-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218487;MM218487;OCC#CC=CC1CC1;XMYFWHAVWQEQEL-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218488;MM218488;FCC#CC=CC1CC1;OWZZJWNJCJXFOI-UHFFFAOYSA-N;124.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218489;MM218489;NCC#CC=CC1CN1;PSMXNIVSXGBMPF-UHFFFAOYSA-N;122.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218490;MM218490;CCC#CC=CC1CO1;XIBNJAZLTSAQPK-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218491;MM218491;NCC#CC=CC1CO1;HYUXURRXMFJOOB-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218492;MM218492;OCC#CC=CC1CO1;JYZLDEUUBOBUCR-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218493;MM218493;FCC#CC=CC1CO1;DXQSBTNBAZLECK-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218494;MM218494;CCC#CC=NN1CC1;ANKWSTSDFKPMSH-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218495;MM218495;NCC#CC=NN1CC1;FCRDMXVRVGATRM-UHFFFAOYSA-N;123.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218496;MM218496;NN=CN(O)C=CCCO;YXLOBSFRSXRQOR-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218497;MM218497;FCC#CC=NN1CC1;ZACJIYKKRHYLJN-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218498;MM218498;C=CC#CC=CC1CC1;XFGKCRBHMJJUKA-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218499;MM218499;O=CC#CC=CC1CC1;VYCCICKJHNSNNY-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218500;MM218500;N#CC#CC=CC1CC1;JOGMLQRXKVAPEF-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218501;MM218501;C=CC#CC=CC1CO1;CBIAZDKGFVSNMD-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218502;MM218502;O=CC#CC=CC1CO1;RGVDUMZHYTYLIK-UHFFFAOYSA-N;122.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218503;MM218503;N#CC#CC=CC1CO1;BYLKTNZDVGAJPJ-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218504;MM218504;C=CC#CC=NN1CC1;XEWAALQETVGZTR-UHFFFAOYSA-N;120.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218505;MM218505;O=CC#CC=NN1CC1;XXMBHTKCIHMXHB-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218506;MM218506;N#CC#CC=NN1CC1;ZECZORZRWREAHC-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218507;MM218507;C#CC#CC=CC1CC1;LOAZDSVBLGMZBI-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218508;MM218508;C#CC#CC=CC1CO1;HTFYXNQFBOWNBU-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218509;MM218509;C#CC#CC=NN1CC1;UGYRECZQVPAIHX-UHFFFAOYSA-N;118.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218510;MM218510;COCCC#CC1CC1;HLMPRSAJSSTKQN-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218511;MM218511;CCOCC#CC1CC1;XRHCGAHNJBUPTJ-UHFFFAOYSA-N;124.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218512;MM218512;CCOCC#CC1CN1;VKKXGALNIGNAKI-UHFFFAOYSA-N;125.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218513;MM218513;CCOCC#CC1CO1;KQVDJSBDBXTGOC-UHFFFAOYSA-N;126.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218514;MM218514;C=CCCC#CC1CC1;UBGOBDGRUNOYDN-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218515;MM218515;N#CCCC#CC1CC1;LQMLTMVVBJCPDX-UHFFFAOYSA-N;119.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218516;MM218516;O=CNCC#CC1CC1;MLQFCLWNICDDJL-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218517;MM218517;C=NOCC#CC1CC1;XTJGIJLXYALXKD-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218518;MM218518;C=CCCC#CC1CN1;CTXWAMJPPRNOPJ-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218519;MM218519;N#CCCC#CC1CN1;MTRHOVPPZIPDQF-UHFFFAOYSA-N;120.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218520;MM218520;CC(=O)C(=N)N(O)CCF;SZEJXYMMPSNENG-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218521;MM218521;C=CCCC#CC1CO1;JOCIWTLSTIPAST-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218522;MM218522;N#CCCC#CC1CO1;LRKQJXKTGMTUKB-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218523;MM218523;O=CNCC#CC1CO1;YLLDRQKJRMNDOO-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218524;MM218524;C#CCCC#CC1CC1;ODQBHGPDJMJDQE-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218525;MM218525;C#CCCC#CC1CN1;MSCAPMSVPOMJOM-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218526;MM218526;C#CCCC#CC1CO1;STRZJZTZVCMUNV-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218527;MM218527;CC=CCC#CC1CC1;SQBQCVSAPRVPGX-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218528;MM218528;FC=CCC#CC1CC1;NRFPHCLYTGFETN-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218529;MM218529;ON=CCC#CC1CC1;JAXGDVIYXPNUQA-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218530;MM218530;CC=CCC#CC1CN1;UKUYTACFGXCETI-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218531;MM218531;FC=CCC#CC1CN1;HXRABUMAPZUXIF-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218532;MM218532;C=NNC(CO)(CF)CF;USESBAMZPXGTBX-UHFFFAOYSA-N;152.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218533;MM218533;CC=CCC#CC1CO1;VCZZLJKTFBIWLN-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218534;MM218534;FC=CCC#CC1CO1;GQEHIEBYOIFJNV-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218535;MM218535;ON=CCC#CC1CO1;QXFLYFBUIACFJC-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218536;MM218536;CC#CCC#CC1CC1;FTEWGXQYORJABJ-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218537;MM218537;CC#CCC#CC1CN1;HSFXNPAJHMAWQI-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218538;MM218538;CC#CCC#CC1CO1;VNMKTDSOBJDEGI-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218539;MM218539;CCC=CC#CC1CC1;LRJHCFBRHSJMHD-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218540;MM218540;OCC=CC#CC1CC1;BSKUQXWMMKWSTP-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218541;MM218541;CON=CC#CC1CC1;FAFXQFRDNPQDED-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218542;MM218542;CCC=CC#CC1CN1;MIBKBSIMFHAVMK-UHFFFAOYSA-N;121.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218543;MM218543;C=CC=CC#CC1CC1;OAHWAYOELAZNGZ-UHFFFAOYSA-N;118.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218544;MM218544;N#CC=CC#CC1CC1;ZUDRDKNKAAELPN-UHFFFAOYSA-N;117.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218545;MM218545;C=NN=CC#CC1CC1;PWJRDMUGUHCYFE-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218546;MM218546;C=CC=CC#CC1CN1;OABWUYPTCXDNJR-UHFFFAOYSA-N;119.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218547;MM218547;N#CC=CC#CC1CN1;ULMSOVWCPDEDBD-UHFFFAOYSA-N;118.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218548;MM218548;C=CC=CC#CC1CO1;WCSMAHCOVISHEW-UHFFFAOYSA-N;120.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218549;MM218549;N#CC=CC#CC1CO1;YERFQFUJRTZXNV-UHFFFAOYSA-N;119.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218550;MM218550;C#CC=CC#CC1CC1;BVCQWJRLAUBANC-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218551;MM218551;C#CC=CC#CC1CN1;DDKOVXPAHUYEEP-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218552;MM218552;C#CC=CC#CC1CO1;QOTFUGOMFCMEDO-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218553;MM218553;CCC#CC#CC1CC1;BEYJRKQYQKCMBN-UHFFFAOYSA-N;118.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218554;MM218554;NCC#CC#CC1CC1;BOFLQHRFOLBZQS-UHFFFAOYSA-N;119.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218555;MM218555;OCC#CC#CC1CC1;NRBIIFWSCKMRIR-UHFFFAOYSA-N;120.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218556;MM218556;FCC#CC#CC1CC1;LVWQFTSQBZFNCV-UHFFFAOYSA-N;122.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218557;MM218557;CCC#CC#CC1CN1;UOLKCDWNCCOABM-UHFFFAOYSA-N;119.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218558;MM218558;NCC#CC#CC1CN1;JHYYVJYBFKVVTE-UHFFFAOYSA-N;120.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218559;MM218559;C=CC(O)CNC(C)C#N;WRQCIPOWCXVHEX-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218560;MM218560;FCC#CC#CC1CN1;MSZGDFYLPWZQEG-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218561;MM218561;CCC#CC#CC1CO1;CUCRLRQTNUTTCC-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218562;MM218562;NCC#CC#CC1CO1;HXXZUMMVBIJWDB-UHFFFAOYSA-N;121.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218563;MM218563;OCC#CC#CC1CO1;NTEKJVULUJHTRH-UHFFFAOYSA-N;122.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218564;MM218564;FCC#CC#CC1CO1;UOKUZVHUWLGXFK-UHFFFAOYSA-N;124.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218565;MM218565;C=CC#CC#CC1CC1;MBDVYAYALIWBHW-UHFFFAOYSA-N;116.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218566;MM218566;O=CC#CC#CC1CC1;PSKUBBOMPUJHCW-UHFFFAOYSA-N;118.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218567;MM218567;N#CC#CC#CC1CC1;OJARZQIJDHELCS-UHFFFAOYSA-N;115.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218568;MM218568;C=CC#CC#CC1CN1;PFTOVBISLKLAFQ-UHFFFAOYSA-N;117.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218569;MM218569;O=CC#CC#CC1CN1;JJWLGNMPBGUMKN-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218570;MM218570;N#CC#CC#CC1CN1;HRROBASOULHCNE-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218571;MM218571;C=CC#CC#CC1CO1;WELHWKSQVPJNPE-UHFFFAOYSA-N;118.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218572;MM218572;O=CC#CC#CC1CO1;OVQOMIYVVMUVQW-UHFFFAOYSA-N;120.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218573;MM218573;N#CC#CC#CC1CO1;BJUOMZYHXZHABG-UHFFFAOYSA-N;117.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218574;MM218574;C#CC#CC#CC1CC1;FWGHMMRYQBVGEZ-UHFFFAOYSA-N;114.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218575;MM218575;C#CC#CC#CC1CN1;PFPVZFZETZOMBE-UHFFFAOYSA-N;115.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218576;MM218576;C#CC#CC#CC1CO1;KOOKBYLMRGBDMK-UHFFFAOYSA-N;116.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218577;MM218577;CCCC1C(C)C1CC;YPSDHPIETGBZHZ-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218578;MM218578;CCCC1C(C)C1CN;NUHRNUUJEILHGW-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218579;MM218579;CC1C(CN)C1CCO;BBQJOXZROGDJOD-UHFFFAOYSA-N;129.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218580;MM218580;CC1C(CN)C1CCF;IZHVHRVDXOJMDM-UHFFFAOYSA-N;131.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218581;MM218581;CCC1(C)CN=C(NO)O1;KGGGXKWTQDHECX-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218582;MM218582;CCCC1C(N)C1CN;XHTPSAJMTOZTBG-UHFFFAOYSA-N;128.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218583;MM218583;NCC1C(N)C1CCF;BPJTZLUEGBJWHX-UHFFFAOYSA-N;132.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218584;MM218584;C=CC1(C)CN=C(NO)O1;OWKUNAHBLVBAGA-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218585;MM218585;CCC1C(O)C1CCN;XLMHREJSYJYDFQ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218586;MM218586;CCC1C(O)C1CCO;MAJCXSIWKWLWCV-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218587;MM218587;CCC1C(O)C1CCF;FPEDQWUMTBLMNU-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218588;MM218588;OCCC1C(O)C1CO;KEEYRFRFMCEGJN-UHFFFAOYSA-N;132.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218589;MM218589;OCCC1C(O)C1CF;SSCFVPWSCVWUQI-UHFFFAOYSA-N;134.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218590;MM218590;CCCC1C(F)C1CN;GXFPIAXSWHCLHZ-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218591;MM218591;OCCC1C(F)C1CO;DXOVUYDCTATUNX-UHFFFAOYSA-N;134.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218592;MM218592;CCC1C(C)C1CNC;GEKGYTGHPDTWAF-UHFFFAOYSA-N;127.23;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218593;MM218593;CCC1C(O)C1CNC;CFZTWKWLNNAGMN-UHFFFAOYSA-N;129.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218594;MM218594;CCC1C(C)C1COC;BKTBFOLJUSSKIW-UHFFFAOYSA-N;128.22;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218595;MM218595;COCC1C(C)C1CN;SBVOTHJKJUYXFN-UHFFFAOYSA-N;129.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218596;MM218596;COCC1C(C)C1CO;YRPCZLCUKBADSE-UHFFFAOYSA-N;130.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218597;MM218597;CCCC1C(C)C1NC;OWJNDLVWVCWICJ-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218598;MM218598;CCCC1C(N)C1NC;HNBOSIIBOVCMOF-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218599;MM218599;CNC1C(N)C1CCO;KLLRBPGJOBOECE-UHFFFAOYSA-N;130.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218600;MM218600;CNC1C(N)C1CCF;OEHAIQKMRVXTRE-UHFFFAOYSA-N;132.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218601;MM218601;CCCC1C(O)C1NC;XTHOOZSCQDOJTK-UHFFFAOYSA-N;129.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218602;MM218602;CNC1C(N)C1COC;GCAIOTWLRMSGGY-UHFFFAOYSA-N;130.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218603;MM218603;CNC1C(O)C1COC;DSDLJTCWGORPNT-UHFFFAOYSA-N;131.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218604;MM218604;CCCC1C(C)C1OC;DLQIYXCMRBHYPJ-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218605;MM218605;COCC1C(C)C1OC;GDYFQMNRZDWDIS-UHFFFAOYSA-N;130.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218606;MM218606;CCOC1C(C)C1CC;HPGZJAYQYTXIKT-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218607;MM218607;CCOC1C(C)C1CN;RYIYEIUPZNMLEX-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218608;MM218608;CCOC1C(C)C1CO;JRQUGGJVTVWIJC-UHFFFAOYSA-N;130.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218609;MM218609;CCOC1C(C)C1CF;GCNWOLVCEVMUSC-UHFFFAOYSA-N;132.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218610;MM218610;CCOC1C(O)C1CC;SXHXILWPXMYTDR-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218611;MM218611;CCOC1C(O)C1CN;NRPOLYXAPXFBNR-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218612;MM218612;CCOC1C(N)C1NC;ZTRSBMVVMMQVHG-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218613;MM218613;CCOC1C(O)C1NC;NXDDYNJDCJERMC-UHFFFAOYSA-N;131.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218614;MM218614;CCOC1C(C)C1OC;MNXSEJSEOVEGJT-UHFFFAOYSA-N;130.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218615;MM218615;CCOC1C(N)C1OC;MZRNSOITVUAWMB-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218616;MM218616;CC1(C=O)CN=C(NO)O1;OZOMEYBZYOYFJT-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218617;MM218617;CCC1C(C)N1CCN;VUEASQLMZMJCFW-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218618;MM218618;C=CCC1C(C)C1CC;TYGKSDXNZLSTCP-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218619;MM218619;CCC1C(C)C1CC=O;MVHXDWAWYNYHLI-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218620;MM218620;CC1(C#N)CN=C(NO)O1;ABGJOJFZCYTABR-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218621;MM218621;C#CC1(C)CN=C(NO)O1;KWRHQXSZBODAHD-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218622;MM218622;CCC1(C)COC(NO)=N1;FFWFTDAFWMEVLT-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218623;MM218623;C=CCC1C(C)C1CF;FAUOUJOMEVBORO-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218624;MM218624;CC1C(CF)C1CC#N;STJHNYWITVYKPT-UHFFFAOYSA-N;127.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218625;MM218625;C=CCC1C(N)C1CN;AODKYIUTQDEJDS-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218626;MM218626;C=CCC1C(N)C1CF;HXUIHXHRWJIOAR-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218627;MM218627;C=CC1(C)COC(NO)=N1;RHRJLGSTCAZUCK-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218628;MM218628;CCC1C(O)C1CC=O;ZNXVIKOBTOWUSF-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218629;MM218629;C=CCC1C(O)C1CN;IMAHGUYPKWDYLK-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218630;MM218630;N#CCC1C(O)C1CF;SSTBGIPPCWBGOP-UHFFFAOYSA-N;129.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218631;MM218631;C=CCC1C(F)C1CC;UQXWPRSTEFWEIL-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218632;MM218632;C=CCC1C(F)C1CN;DLAYPDSPCYYTGR-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218633;MM218633;C=CCC1C(N)C1NC;SHTDMAXHNNPSNN-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218634;MM218634;C=CCC1C(O)C1NC;GCTKEHFJVLLCMZ-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218635;MM218635;COC1C(C)C1CC#N;VQWSCOZSKXPSJO-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218636;MM218636;CCC1C(C)C1NC=N;NSHTUYRKMMBZIS-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218637;MM218637;CC1(C=O)COC(NO)=N1;FIOWVFIRNRGCTK-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218638;MM218638;CC1C(CO)C1NC=N;PUJMCGFZRHDBQK-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218639;MM218639;CC1(C#N)COC(NO)=N1;QMGUTAUJDDVDDW-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218640;MM218640;N=CNC1C(N)C1CN;YYNJBNMITDLIRL-UHFFFAOYSA-N;128.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218641;MM218641;NCC1C(N)C1NC=O;UNNHPTHVPYSLBZ-UHFFFAOYSA-N;129.16;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218642;MM218642;CCC1C(O)C1NC=N;YQUUQNKDBABKBY-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218643;MM218643;NCC1C(O)C1NC=O;BAYPWALVHVSUDL-UHFFFAOYSA-N;130.15;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218644;MM218644;C#CC1(C)COC(NO)=N1;AWTCPMQOKKLNQY-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218645;MM218645;C=NNC1C(C)C1CF;BNQVCANMFAVYNE-UHFFFAOYSA-N;130.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218646;MM218646;C=NNC1C(N)C1CN;OHNALLAUBWHDJO-UHFFFAOYSA-N;128.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218647;MM218647;C=NNC1C(O)C1CN;ZOTPRNIPTFPOBT-UHFFFAOYSA-N;129.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218648;MM218648;CNC1C(O)C1NC=N;MYYPGUYMEIMFLQ-UHFFFAOYSA-N;129.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218649;MM218649;CNC1C(O)C1NC=O;AKOSYIXZFPSFEB-UHFFFAOYSA-N;130.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218650;MM218650;COC1C(C)C1NC=N;LNQWDANVEUFRIO-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218651;MM218651;COC1C(N)C1NC=N;OXHBEHIAZRECKD-UHFFFAOYSA-N;129.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218652;MM218652;C=NNC1C(C)C1OC;UTMRHKBYTGMSGG-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218653;MM218653;C=COC1C(C)C1CC;GHVAFZWZGVRBQX-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218654;MM218654;C=COC1C(C)C1CO;JSONLPGLSZEHCH-UHFFFAOYSA-N;128.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218655;MM218655;NCC1C(N)C1OC=O;GZZSVPIZLUWWJU-UHFFFAOYSA-N;130.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218656;MM218656;C=COC1C(O)C1CC;HRSSEPPWMZWRQX-UHFFFAOYSA-N;128.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218657;MM218657;CCC1C(O)C1OC=O;CYQSMWMTVKNWOQ-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218658;MM218658;C=COC1C(O)C1CN;ZZVNTFXOOCNVRE-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218659;MM218659;C=COC1C(F)C1CC;IWNVUUICKOFYPP-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218660;MM218660;CCC1C(F)C1OC=O;WCFOYRLXPXNICQ-UHFFFAOYSA-N;132.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218661;MM218661;C=NOC1C(C)C1CN;FGUWPQLFVTZMCD-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218662;MM218662;C=NOC1C(N)C1CN;KIFLTLBIORWIRN-UHFFFAOYSA-N;129.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218663;MM218663;C=NOC1C(F)C1CC;YDFKOWUXIMNZTN-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218664;MM218664;CNC1C(N)C1OC=O;OREOVPWCYNVOKY-UHFFFAOYSA-N;130.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218665;MM218665;C=COC1C(O)C1NC;UNLZWUZDXRUMJW-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218666;MM218666;C=COC1C(C)C1OC;UAJQDNMWNFRFCP-UHFFFAOYSA-N;128.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218667;MM218667;C=NOC1C(C)C1OC;PRFHVNCKBPGPRX-UHFFFAOYSA-N;129.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218668;MM218668;CN=C(NO)OC(C)OC;IBNWNFTWMHHWRE-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218669;MM218669;C=CCC1C(CN)N1C;VQSLRMURSZXQOK-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218670;MM218670;C=CCC1C(CF)N1C;RCTHVXWYYNRBRL-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218671;MM218671;C#CC(C)OC(=NC)NO;HDDQZTVZKHKHPL-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218672;MM218672;CCC(C)N=C(NO)OC;ZGHPDTDLAWIRPB-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218673;MM218673;CCC1C(C)N1CC#N;PINXCKHWDDQHGZ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218674;MM218674;C=CCN1C(C)C1CN;ACSMAUCAUJNHLW-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218675;MM218675;CC1C(CN)N1NC=O;AUHDWDNYKIDHRA-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218676;MM218676;C#CCC1C(C)C1CC;KUXUBQAXFFICIA-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218677;MM218677;C#CCC1C(C)C1CN;FBTHFZFKOOQDMJ-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218678;MM218678;COC(=NC(C)C=O)NO;SPBQNQLKOYAVRV-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218679;MM218679;C#CCC1C(N)C1CN;NHKGMMAGFLXHPW-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218680;MM218680;C#CCC1C(N)C1CO;WEKKJANHNQUOIQ-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218681;MM218681;C#CCC1C(N)C1CF;WOQRWALYUWPVBX-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218682;MM218682;C#CCC1C(N)C1NC;PXGCRCKOIURCQS-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218683;MM218683;C#CCC1C(C)C1OC;LTVNUADFUXFGSY-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218684;MM218684;C#CCC1C(N)C1OC;ROSSEXQMLYNFNQ-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218685;MM218685;C#CCC1C(CN)N1C;MIIGTRWCJINEKY-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218686;MM218686;C#CCC1C(CF)N1C;LFIWPFVOLFCEOS-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218687;MM218687;C#CCN1C(C)C1CC;QZSFYRRDJSILRO-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218688;MM218688;C#CCN1C(C)C1CN;ZWEKZULPKFKLEC-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218689;MM218689;C#CCN1C(C)C1CF;SLKFXLRAUXYFPC-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218690;MM218690;C=CC1C(C)C1CCC;RWVNZJVKJBWPRF-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218691;MM218691;C#CC(C)N=C(NO)OC;GSNGJQAWHRFCTF-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218692;MM218692;C=CC1C(C)C1CCF;YPPBLROLVRJPAI-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218693;MM218693;CCCC1C(C)C1C=O;QVVMKLDHNICCEU-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218694;MM218694;CCCC1C(C)C1C#N;ZGZDFVLGTQOLCB-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218695;MM218695;CN=C(NO)OCC(C)F;NMHQFOGZMYNYNO-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218696;MM218696;CC1C(C#N)C1CCO;BSAHWQJUQVTDRO-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218697;MM218697;CC1C(C#N)C1CCF;BHYQOZWSKAJBAP-UHFFFAOYSA-N;127.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218698;MM218698;C=CC1C(N)C1CCC;VBCXDPCRRYOLFE-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218699;MM218699;C=CC1C(N)C1CCF;XDBPCPPBIAHUTF-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218700;MM218700;C=CC1C(O)C1CCO;XRKOHVRCMYMVHO-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218701;MM218701;C=CC1C(F)C1CCC;ZGZCRSODRWQRTD-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218702;MM218702;C=CC1C(F)C1CCN;OIEWJLIWTUIDAU-UHFFFAOYSA-N;129.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218703;MM218703;C=CC1C(F)C1CCO;IDQBNZYUTRFHDG-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218704;MM218704;CCCC1C(F)C1C#N;NIXYATVQGAXNFB-UHFFFAOYSA-N;127.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218705;MM218705;C=CC1C(C)C1COC;CNZVBAZVAUJBQJ-UHFFFAOYSA-N;126.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218706;MM218706;COCC1C(C)C1C=O;DWUJXGJEYKJYDT-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218707;MM218707;COCC1C(C)C1C#N;BKRYOXDHRUSHGF-UHFFFAOYSA-N;125.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218708;MM218708;C=CC1C(N)C1COC;CMZJMPXKMWTDEL-UHFFFAOYSA-N;127.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218709;MM218709;C=CC1C(O)C1COC;ZNLGWHDSXQPVCQ-UHFFFAOYSA-N;128.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218710;MM218710;C=CC1C(O)C1NCC;ROBKEFIRUCFXTH-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218711;MM218711;C=CC1C(C)C1OCC;ATOQESVXYZOISR-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218712;MM218712;CCOC1C(C)C1C=O;YAHJMAWBRHFDCS-UHFFFAOYSA-N;128.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218713;MM218713;CCOC1C(C)C1C#N;ORTUULNAWVPXLR-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218714;MM218714;C=CC1C(N)C1OCC;GHJNOHDAOWGALH-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218715;MM218715;CCOC1C(O)C1C#N;GJZREJCUWNUMLW-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218716;MM218716;C=CC1C(CCC)N1C;AOIPILSDCWKPBP-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218717;MM218717;C=CC1C(CCN)N1C;XIVQFEFNBRKYED-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218718;MM218718;C=C(C)COC(=NC)NO;XCNAYGWVYFLWRX-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218719;MM218719;C=CC1C(CCF)N1C;GZOZCRPMAMZMMI-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218720;MM218720;CCCC1C(C)N1C=N;LJILWQMJJLPJCC-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218721;MM218721;CC1C(CCN)N1C=N;VZNDMPXPXSESGC-UHFFFAOYSA-N;127.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218722;MM218722;CC1C(CCO)N1C=N;SROIUIFZVQIYHZ-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218723;MM218723;CC1C(CCF)N1C=N;DNRHMPGMTJIIJT-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218724;MM218724;CCCC1C(C)N1C=O;PEJMXQVWBRQLNR-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218725;MM218725;CC1C(CCN)N1C=O;FQULEEDOHQRCJK-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218726;MM218726;CC1C(CCO)N1C=O;WJRHIEYNMJOOJN-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218727;MM218727;CC1C(CCF)N1C=O;HUMAFCGHHJDXRJ-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218728;MM218728;CNCC1C(C)N1C=N;YOSUIIFXEHBYTD-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218729;MM218729;CNCC1C(C)N1C=O;ISJOVXJEIBSWNF-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218730;MM218730;COCC1C(C)N1C=N;JGIQKAAMSSSYPL-UHFFFAOYSA-N;128.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218731;MM218731;COCC1C(C)N1C=O;QFFCDXSCBWJEHO-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218732;MM218732;C=NN1C(C)C1CCC;FLVGFXXJHQRVCJ-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218733;MM218733;C=NN1C(C)C1CCN;VCFHQAGPPVACSI-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218734;MM218734;C=C(F)COC(=NC)NO;QDPZXEMUSCYBPI-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218735;MM218735;C=NN1C(C)C1CCF;LNPDTHOGCBNXBQ-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218736;MM218736;C=NN1C(C)C1CNC;AZWPGHJUCFORDB-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218737;MM218737;C=NN1C(C)C1COC;RUOXZZJIAQWBRE-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218738;MM218738;C=CC1C(C)N1CCN;VVXNMUNIWNBNOS-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218739;MM218739;C=CC(CO)ON=C(C)C;UQGDKRUBJPBVMW-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218740;MM218740;COC(=NCC(C)F)NO;ZJINUWCYZAFURX-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218741;MM218741;CC1C(C#N)N1CCF;QPNWPHDJVGPKBS-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218742;MM218742;C=CCC1C(C)C1C=C;MMZMSXKRDNOMFU-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218743;MM218743;C=CC1C(C)C1CC=O;LBQQEYUCCKMPOK-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218744;MM218744;C=CC1C(C)C1CC#N;PUZMFPZMDKRMSE-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218745;MM218745;C=CCC1C(C)C1C=O;DCBJDILKLPILME-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218746;MM218746;CC1C(C=O)C1CC=O;CHPGVIQGHYCYIQ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218747;MM218747;CC1C(C#N)C1CC#N;MBOMREZWBJXCHT-UHFFFAOYSA-N;120.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218748;MM218748;C=CC1C(O)C1CC#N;MABYPUMOLJGRQP-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218749;MM218749;C=CCC1C(F)C1C=C;PKBWODCEYQTLEY-UHFFFAOYSA-N;126.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218750;MM218750;C=CC1C(F)C1CC=O;SOUCFSRVDSNHCC-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218751;MM218751;C=CC1C(F)C1CC#N;GGWFGLJXJNDUCJ-UHFFFAOYSA-N;125.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218752;MM218752;C=CC1C(C)C1NC=N;COFWGPQHHYIIJV-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218753;MM218753;CC1C(C=O)C1N=CN;UCURBEXXXQDKHU-UHFFFAOYSA-N;126.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218754;MM218754;C=CC1C(O)C1NC=O;UJUJNRUXGNFZRU-UHFFFAOYSA-N;127.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218755;MM218755;C=CC1C(F)C1NC=N;SABPHMXXLCKDHN-UHFFFAOYSA-N;128.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218756;MM218756;C=CC1C(F)C1NC=O;QGIMKIXFLSCLET-UHFFFAOYSA-N;129.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218757;MM218757;C=CC1C(C)C1NN=C;GZMNWPLIYXSHHY-UHFFFAOYSA-N;124.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218758;MM218758;C=C(F)CN=C(NO)OC;QEWIBIUJBOBFFY-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218759;MM218759;C=CC1C(F)C1NN=C;JVEFSPZZEOHLDS-UHFFFAOYSA-N;128.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218760;MM218760;C=COC1C(N)C1C=C;GDCVEMQHNFCCFK-UHFFFAOYSA-N;125.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218761;MM218761;C=CC1C(O)C1OC=O;BMBTWLXOMMHDHE-UHFFFAOYSA-N;128.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218762;MM218762;C=COC1C(F)C1C=C;WEEGFYBXKVTGSO-UHFFFAOYSA-N;128.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218763;MM218763;C=CC1C(N)C1ON=C;KSCOONJHMPATMG-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218764;MM218764;C=NN(C)C(C)C(O)CC;XVSQEUICQTUEHV-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218765;MM218765;C=NN(C)C(=O)NCCO;XXOJVPOUIODODT-UHFFFAOYSA-N;145.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218766;MM218766;C=CC1C(F)C1ON=C;LYRYSOUVOSDWRO-UHFFFAOYSA-N;129.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218767;MM218767;C=CCC1C(C)N1C=N;UMQRKVWQTAAXNP-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218768;MM218768;CC1C(CC=O)N1C=N;FHIILXAZMMQKKV-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218769;MM218769;CC1C(CC#N)N1C=N;GXDLZMKXBPGNPX-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218770;MM218770;C=CCC1C(C)N1C=O;UARJIHGMRZYATG-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218771;MM218771;CN(C=O)C(=N)OCC=O;BQUGOPXTBCPUSD-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218772;MM218772;CC1C(CC#N)N1C=O;BLWQPTNHJKBXNM-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218773;MM218773;C=CCC1C(C)N1N=C;YQRPMPJOVJJNLN-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218774;MM218774;CNC(=O)C(=N)NC=CF;GRYYTEWXDZHWBY-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218775;MM218775;C=NN1C(C)C1CC#N;LVVUWAVTJPAIPL-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218776;MM218776;C=CCN1C(C)C1C=C;VYFGUVOEHQQHIT-UHFFFAOYSA-N;123.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218777;MM218777;C=CN(O)C=NOCC=O;OJPCCWHSVVQPDV-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218778;MM218778;C=CCN1C(C)C1C#N;QSESYYMGEDCKCC-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218779;MM218779;C#CCON=CN(O)C=C;QICUIPPSWMMEGZ-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218780;MM218780;C#CC(C)C(CO)ON=C;OSZWCRYKPQVQLT-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218781;MM218781;CC1C(C#N)N1CC#N;VWSUFXJEXOMVBH-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218782;MM218782;CC1C(C#N)N1NC=N;APBAYSRARLXDOX-UHFFFAOYSA-N;124.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218783;MM218783;CC1C(C=O)N1NC=O;ZXSIZEIZCIPYSZ-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218784;MM218784;CC1C(C#N)N1NC=O;RCUCZYQAIJTZRY-UHFFFAOYSA-N;125.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218785;MM218785;C#CCC1C(C)C1C=C;AVFJBDRFXBTLSX-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218786;MM218786;C#CCC1C(C)C1C=O;UVLGWRMNCKABMY-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218787;MM218787;C#CCC1C(C)C1C#N;UUKCUAVSGOLMCQ-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218788;MM218788;C#CCC1C(F)C1C=C;ZLPWDUSJGUXDNJ-UHFFFAOYSA-N;124.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218789;MM218789;C#CCC1C(C)N1C=N;HEGZPWUHBZWLBM-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218790;MM218790;C#CCC1C(C)N1C=O;BXWJKNPAXWBPFT-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218791;MM218791;C#CCC1C(C)N1N=C;RGOQPDFXBGSFLD-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218792;MM218792;C#CCN1C(C)C1C=C;VCVVNDPXVPSLCA-UHFFFAOYSA-N;121.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218793;MM218793;CCN=C(NO)OCOC;LHPMFZFWBUWSMH-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218794;MM218794;C#CCN1C(C)C1C#N;HBZPPZSDHZZQLO-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218795;MM218795;C#CC1C(C)C1CCC;ZJALGTJVIDFMDL-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218796;MM218796;C#CC1C(C)C1CCN;RXYQBYMEQQKLSK-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218797;MM218797;C#CCOC(=NCC)NO;PABWDPCNJXNWOR-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218798;MM218798;C#CC1C(N)C1CCN;SOQXTOFNGDRFSR-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218799;MM218799;C#CC1C(N)C1CCF;JNUVZDHIGCMSKD-UHFFFAOYSA-N;127.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218800;MM218800;C#CC1C(O)C1CCO;WIIWURJMIDNORH-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218801;MM218801;C#CC1C(F)C1CCC;DUIBSPJDKIHEBB-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218802;MM218802;C#CC1C(C)C1CNC;NTNLPUSUHXRCCI-UHFFFAOYSA-N;123.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218803;MM218803;C#CC1C(N)C1CNC;UNUHFWWNRXJXSS-UHFFFAOYSA-N;124.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218804;MM218804;C#CC1C(C)C1COC;DWUOTKITNFNPSJ-UHFFFAOYSA-N;124.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218805;MM218805;C#CC1C(N)C1COC;WLEZMSNENHIJHO-UHFFFAOYSA-N;125.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218806;MM218806;C#CC1C(C)C1NCC;HBRKQUDAIINZCW-UHFFFAOYSA-N;123.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218807;MM218807;C#CC1C(C)C1OCC;DVPXTASHLNJFRQ-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218808;MM218808;C#CC1C(N)C1OCC;RZYSMDOOHUJZIC-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218809;MM218809;C#CC1C(O)C1OCC;YCJDWIZIGXIPAF-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218810;MM218810;C#CC1C(CCC)N1C;FVTWNRWBBLXKBC-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218811;MM218811;C#CC1C(CCN)N1C;IKFQEJCEWDKUFI-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218812;MM218812;C#CC1C(CCF)N1C;VMBWZLRQCDJXFM-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218813;MM218813;C#CC1C(C)C1CC=C;GGURCIZQIVWFSG-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218814;MM218814;C#CC1C(C)C1CC=O;SUCADBNITJLVKO-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218815;MM218815;C#CC1C(C)C1CC#N;WONQYRMKWTYPCF-UHFFFAOYSA-N;119.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218816;MM218816;C#CCN=C(NO)OCC;AHOLLZHDGAQWHE-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218817;MM218817;C#CC1C(C)C1NC=N;PAPJHPYGLPWWTF-UHFFFAOYSA-N;122.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218818;MM218818;C#CC1C(O)C1NC=N;LIFQIPICSGRTTG-UHFFFAOYSA-N;124.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218819;MM218819;C#CC1C(C)C1NN=C;BAJFITAMWVIINP-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218820;MM218820;C#CC(C(=C)F)N(O)C=N;VQYYAPSJVCAEGA-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218821;MM218821;C#CC1C(C)C1OC=C;JECVFUYMPGGXSI-UHFFFAOYSA-N;122.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218822;MM218822;C#CC1C(F)C1OC=C;IHOUWQCPXMMMDD-UHFFFAOYSA-N;126.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218823;MM218823;C#CCC1C(C)C1C#C;ZLAVMLSMJOIAHT-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218824;MM218824;CNN(C(C)=O)C(=O)CF;YTPCWPCFYFXOPZ-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218825;MM218825;C#CCC1C(F)C1C#C;LLZAUCZTJMIBBH-UHFFFAOYSA-N;122.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218826;MM218826;C#CCC1C(C#C)N1C;IIZYPEJNEXNXQT-UHFFFAOYSA-N;119.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218827;MM218827;CC=CC1C(C)C1CC;XXIAKCFPMPXWRK-UHFFFAOYSA-N;124.23;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218828;MM218828;CCC1C(C)C1C=CF;ZDGQACNLWJGZKP-UHFFFAOYSA-N;128.19;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218829;MM218829;CC=CC1C(C)C1CN;NXDNOSPQNXFCJM-UHFFFAOYSA-N;125.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218830;MM218830;C=NN(C(=C)CO)C(N)=O;JAORMCKIUOROGZ-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218831;MM218831;CC1C2N=C(NO)OC12C;PGYGBQNNOCAXOL-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218832;MM218832;CC=CC1C(C)C1CF;OYCXUZCPDOBXEW-UHFFFAOYSA-N;128.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218833;MM218833;CC1C(C=CF)C1CF;OBFDYCSFJGYCBZ-UHFFFAOYSA-N;132.15;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218834;MM218834;CC=CC1C(N)C1CC;GSENGGOXKDMKGL-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218835;MM218835;NCC1C(N)C1C=CF;IGRHANMOWMQZPW-UHFFFAOYSA-N;130.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218836;MM218836;CC=CC1C(O)C1CN;BHFCSIQBKAXXMP-UHFFFAOYSA-N;127.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218837;MM218837;NCC1C(O)C1C=CF;CEHOJMTYWVBVCA-UHFFFAOYSA-N;131.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218838;MM218838;CC=CC1C(O)C1CO;IHDPDNREYNIKEV-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218839;MM218839;CCC1C(C)C1C=NN;OAXDTNJCEOOCAW-UHFFFAOYSA-N;126.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218840;MM218840;CCC1C(C)C1C=NO;ZNFSQWKLQXBLQH-UHFFFAOYSA-N;127.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218841;MM218841;N#Cc1cn(O)cnc1=N;RTWHQIARTJSEFE-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218842;MM218842;NCC1C(O)C1C=NO;MMCUMWMTPSLPCX-UHFFFAOYSA-N;130.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218843;MM218843;NCC1C(F)C1C=NO;OKRIBKHQKMPBJM-UHFFFAOYSA-N;132.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218844;MM218844;CNC1C(N)C1C=CF;NMFVHFWJHJZQIF-UHFFFAOYSA-N;130.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218845;MM218845;CC=CC1C(O)C1NC;HLOUGOZAJPCUDS-UHFFFAOYSA-N;127.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218846;MM218846;CNC1C(O)C1C=CF;AJVNEBPDYIUGMT-UHFFFAOYSA-N;131.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218847;MM218847;CNC1C(N)C1C=NO;VZJWSLGVCSYKDP-UHFFFAOYSA-N;129.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218848;MM218848;CNC1C(O)C1C=NN;VYZCWLMFSGZOCO-UHFFFAOYSA-N;129.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218849;MM218849;CC=CC1C(C)C1OC;BSJQDLMRLWIAIT-UHFFFAOYSA-N;126.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218850;MM218850;CC=CC1C(N)C1OC;HHKTXBSCPGBQKK-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218851;MM218851;COC1C(N)C1C=CF;XVEFXQCCRATGFV-UHFFFAOYSA-N;131.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218852;MM218852;COC1C(C)C1C=NN;ZJQSZIKQRUJUPR-UHFFFAOYSA-N;128.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218853;MM218853;COC1C(C)C1C=NO;NMBMJDRFUMWSNI-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218854;MM218854;CN1C(C=CF)C1CN;WZYOBXBBFXVTOY-UHFFFAOYSA-N;130.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218855;MM218855;CN1C(C=NO)C1CN;ULUXBMDEYNLTDC-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218856;MM218856;CCC1C(C)N1C=NC;IHWPZTXCWHOPTB-UHFFFAOYSA-N;126.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218857;MM218857;CC=NN1C(C)C1CC;GKLDSDFOHVPUQS-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218858;MM218858;C=CC1C(C)C1C=CC;LVSSOHAJPNGWCT-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218859;MM218859;C=CC1C(C)C1C=CF;OCVJKQVSBOAEDG-UHFFFAOYSA-N;126.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218860;MM218860;CC=CC1C(C)C1C=O;XGOFCBNEZVLFLK-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218861;MM218861;C=CC1C(N)C1C=CC;LMGGAFJNWCAAMS-UHFFFAOYSA-N;123.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218862;MM218862;C=CC1C(O)C1C=CF;XDWUILNDOXGJMQ-UHFFFAOYSA-N;128.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218863;MM218863;CC=CC1C(O)C1C#N;OSIJUCFDJMOTAL-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218864;MM218864;CC=CC1C(C)N1C=N;SLPHVFWSRVYOGU-UHFFFAOYSA-N;124.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218865;MM218865;CC1C(C=CF)N1C=N;ZXFCKFANNCOHRY-UHFFFAOYSA-N;128.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218866;MM218866;CC=CC1C(C)N1C=O;XAIABPVUJRGZTI-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218867;MM218867;CC1C(C=CF)N1C=O;CLTGQGQSRYXXRJ-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218868;MM218868;CC1C(C=NN)N1C=N;QJJFGLNKFUILHF-UHFFFAOYSA-N;126.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218869;MM218869;CC1C(C=NN)N1C=O;LWUFTXLSXQFWQB-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218870;MM218870;CC1C(C=NO)N1C=O;KZKKGVFDNAVYCD-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218871;MM218871;C=NN1C(C)C1C=CC;KFZRWIVGIVDBNU-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218872;MM218872;C=NN1C(C)C1C=CF;MIFPMFVLKRLCQS-UHFFFAOYSA-N;128.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218873;MM218873;C=NN1C(C)C1C=NN;ADVSFJWUBQYDBI-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218874;MM218874;C=NN1C(C)C1C=NO;ZAZFQBQAGXYDRA-UHFFFAOYSA-N;127.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218875;MM218875;C=CC1C(C)N1C=NC;BWZBQKAKYQYKRM-UHFFFAOYSA-N;124.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218876;MM218876;C#Cc1cn(O)cnc1=N;PLCMHBPQFTULOT-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218877;MM218877;CC1C(C=O)N1C=NO;XMJRXWWUHJYFSZ-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218878;MM218878;CC1C(C#N)N1C=NO;NCCZXWYBHCRGOV-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218879;MM218879;C=CC1C(C)N1N=CC;KYPAJTQVMXMUKR-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218880;MM218880;CC=NN1C(C)C1C#N;XWWNQNOBJJEHEG-UHFFFAOYSA-N;123.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218881;MM218881;C#CC1C(C)C1C=CC;YZDMSYORQAYZKF-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218882;MM218882;C#CC1C(N)C1C=CC;VLKPVQKMMYOESO-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218883;MM218883;CC1(C)C2N=C(NO)OC21;PCZJDZOKHWMKJK-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218884;MM218884;C#CC1C(C)C1C=NN;BGLUWQMWCXACFY-UHFFFAOYSA-N;122.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218885;MM218885;C=CC(CO)ON=CCC;OSISMPYANRQJRW-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218886;MM218886;C=CC=NOC(C=C)CO;FIVLXOHKEDTDAW-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218887;MM218887;C#CC1C(C)N1N=CC;XYXUIOCOFGLBCC-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218888;MM218888;CC#CC1C(C)C1CC;LCKXXFKDSUOJFU-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218889;MM218889;CC#CC1C(C)C1CN;DGEFQFREIIBQSV-UHFFFAOYSA-N;123.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218890;MM218890;CC#CC1C(N)C1CN;ZJHHYOIQCVBZMP-UHFFFAOYSA-N;124.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218891;MM218891;CC#CC1C(N)C1CO;HZJWAIANDMATPI-UHFFFAOYSA-N;125.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218892;MM218892;CC#CC1C(N)C1NC;TUNOSDNKPUMUHF-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218893;MM218893;CC#CC1C(O)C1NC;HQFNKIWHAWPTOG-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218894;MM218894;CC#CC1C(C)C1OC;BVGZHRSNHIJSMS-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218895;MM218895;C=CC1C(C)C1C#CC;FLLNTCSFGLFXRS-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218896;MM218896;CC#CC1C(C)C1C=O;YPIQDAPADHEUJR-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218897;MM218897;C=CC1C(N)C1C#CC;RLGDHQNINOXLMY-UHFFFAOYSA-N;121.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218898;MM218898;CC#CC1C(C)N1C=N;DCISTJCPKNWDGP-UHFFFAOYSA-N;122.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218899;MM218899;CC#CC1C(C)N1C=O;YDLWRWBOOFGCQN-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218900;MM218900;C=NN1C(C)C1C#CC;FDUQSHHGRSGFGB-UHFFFAOYSA-N;122.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218901;MM218901;C#CC1C(C)C1C#CC;JRNBDGRNDOQCHS-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218902;MM218902;CCC1C(C#N)C1CC;SJQPKBXNOKSFKI-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218903;MM218903;C=CC1C(CN)C1CN;HBDCHSIRBZFIDG-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218904;MM218904;C#CC1C(CC)C1CC;KXCMDIXYFHMPEW-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218905;MM218905;C#CC=NOC(C=C)CO;SSBNGRGGBLYJGO-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218906;MM218906;C#CC1C(CN)C1NC;MZJMQOCOIZQMMN-UHFFFAOYSA-N;124.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218907;MM218907;C=CC1C(C=C)C1CC;NXEGTHRROAWELS-UHFFFAOYSA-N;122.21;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218908;MM218908;C=CC1C(C#N)C1CC;PIDLLEQUAXEPJR-UHFFFAOYSA-N;121.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218909;MM218909;C#CC1C(C=C)C1CC;HRLMUWBSMHTUFC-UHFFFAOYSA-N;120.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218910;MM218910;C#CC1C(C#C)C1CC;ZYWNUOPUKRNXQO-UHFFFAOYSA-N;118.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218911;MM218911;C#CC1C(C#C)C1NC;QWNBBVUVQXCBIL-UHFFFAOYSA-N;119.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218912;MM218912;C=CC1C(C=C)C1C=C;GVVKPPLTPZISBX-UHFFFAOYSA-N;120.2;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218913;MM218913;C#CC1C(C=C)C1C=C;JMYBBXXNEODDNQ-UHFFFAOYSA-N;118.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218914;MM218914;C#CC1C(C#N)C1C#N;WWXNPYHIEHUVEL-UHFFFAOYSA-N;116.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218915;MM218915;CNn1c(=N)[nH]oc1=O;IVFBFNBWEVDMAW-UHFFFAOYSA-N;130.11;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218916;MM218916;CN=C(NO)OCCOC;XDVXBVBSTDZSPK-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218917;MM218917;COn1c(=N)[nH]oc1=O;JKNAUHGGZVTUCE-UHFFFAOYSA-N;131.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218918;MM218918;COn1c(=O)[nH]oc1=O;WZAZLFZEFQXEOH-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218919;MM218919;C=Nn1c(=N)[nH]oc1=O;FOWARPBSMRRWOA-UHFFFAOYSA-N;128.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218920;MM218920;CN=c1[nH]nc(NC)o1;KOWTYQYOWJJZRX-UHFFFAOYSA-N;128.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218921;MM218921;Cn1nnc(=O)c(O)n1;ROJKAEGSDDVHBR-UHFFFAOYSA-N;128.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218922;MM218922;O=c1cc(O)[nH]c(=O)cn1;RIOWVFAWJQTIPD-UHFFFAOYSA-N;140.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218923;MM218923;Cn1nnc(=O)nc1O;RKGHARLKYKCNBD-UHFFFAOYSA-N;128.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218924;MM218924;O=c1[nH]oc2c(O)cnn12;MFTGWRZYPPKAKE-UHFFFAOYSA-N;141.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218925;MM218925;CN(C)c1oc(=O)oc1O;KYTUNZHZZQNATJ-UHFFFAOYSA-N;145.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218926;MM218926;N=c1[nH]c(=O)n(O)o1;WRLUOKIZMCGFCE-UHFFFAOYSA-N;117.06;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218927;MM218927;CC(C)(C)OCCC(=O)O;KXZYUJNAHMNZBA-UHFFFAOYSA-N;146.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218928;MM218928;CCC(C)OCCC(=O)O;SGTPLWHGLZROPF-UHFFFAOYSA-N;146.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218929;MM218929;N#CC(=NO)OCC(F)F;QIWSGQXIXONDGF-UHFFFAOYSA-N;150.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218930;MM218930;CN=c1c(C)con1C;SMDUMJAQHAGNDT-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218931;MM218931;Cc1con(C)c1=NO;LFGDSRKRPYUUBT-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218932;MM218932;CCOCOC(=NC)NO;CZWDWVKIHZGANC-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218933;MM218933;Cn1occ(N)c1=NO;PPXILUWFLPAOOA-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218934;MM218934;C=COCOC(=NC)NO;DTSHILQKEMKSSQ-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218935;MM218935;CN=c1c(F)con1C;MCJURUNIPLKSIG-UHFFFAOYSA-N;130.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218936;MM218936;CN=C(NO)OCOC=O;BLHRXZLWPUXKRO-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218937;MM218937;C#CCCOC(=NC)NO;MRFYTSDPZSXCRA-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218938;MM218938;CN=c1c(N)con1N;MBUPVKNNUSYALL-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218939;MM218939;CN=C(NO)OCC=NN;YTSYQQLHJXMNIP-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218940;MM218940;CN=c1c(F)con1N;XTAJKTQAFGDHRY-UHFFFAOYSA-N;131.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218941;MM218941;CC#CCOC(=NC)NO;HTZPGNVHNFTPFU-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218942;MM218942;NN=CC#CC(=NN)NO;GRACVAYDUBHZFN-UHFFFAOYSA-N;141.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218943;MM218943;COCCN=C(NO)OC;LDSGVKUZRVPISI-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218944;MM218944;C#CCCN=C(NO)OC;COFBURQGMHATFG-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218945;MM218945;Nc1con(O)c1=NO;HBOWDODSSPRPNN-UHFFFAOYSA-N;131.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218946;MM218946;O=c1cnn(O)c(O)c1F;YVNTWXGDAIEDMG-UHFFFAOYSA-N;146.08;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218947;MM218947;COC(=NCC=NN)NO;PLOFZNAFKRNQBD-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218948;MM218948;CC#CCN=C(NO)OC;NEHPUVJPCIXFNX-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218949;MM218949;CN=c1c(F)non1O;VVQKWADVNWEQMP-UHFFFAOYSA-N;133.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218950;MM218950;C=c1occ(C)c1=CC;NIOKIJCGLLABAD-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218951;MM218951;C=c1occ(C)c1=CF;CWAAXNPYUDKMPU-UHFFFAOYSA-N;126.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218952;MM218952;C=c1occ(F)c1=CC;SKHAYBUVLSWZQT-UHFFFAOYSA-N;126.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218953;MM218953;C=c1occ(F)c1=CF;ZCZHEXPLFCHCFP-UHFFFAOYSA-N;130.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218954;MM218954;C=CC12CCCC1C2C;VDBZORHAJIDFJT-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218955;MM218955;CC1C2CNCC12C#N;ZPAFECCYOMDYKG-UHFFFAOYSA-N;122.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218956;MM218956;C=CC12CNCC1C2N;LNGRSGQFMVPVLA-UHFFFAOYSA-N;124.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218957;MM218957;C=CC12COCC1C2C;ODGZCVUNTYQQIR-UHFFFAOYSA-N;124.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218958;MM218958;C=CC12CCNC1C2C;HKLRRDHBTMMPCC-UHFFFAOYSA-N;123.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218959;MM218959;CC1C2NCCC12C#N;UYJBINHFZVFALE-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218960;MM218960;C=CC12CCNC1C2N;YRRYSOQZBIUEOS-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218961;MM218961;C=CC12CCOC1C2C;WXCMGPJQTLZXMR-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218962;MM218962;C=CC12CCOC1C2N;ALGDTJGTVFUICO-UHFFFAOYSA-N;125.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218963;MM218963;C#CC12CCCC1C2C;TXAISQPBXSUEIT-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218964;MM218964;C#CC12CNCC1C2C;PGOKBFGXHYOSLK-UHFFFAOYSA-N;121.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218965;MM218965;C#CC12CNCC1C2N;BSESPKPQZMBPFI-UHFFFAOYSA-N;122.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218966;MM218966;C#CC12COCC1C2C;HFCQAOYLCRNJPN-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218967;MM218967;C#CC12COCC1C2N;ZXVPIKXXMYSWIH-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218968;MM218968;C#CC12CCNC1C2C;YNJDLURWPNNOLL-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218969;MM218969;C#CC12CCNC1C2N;GTBMVVRLWXKKCA-UHFFFAOYSA-N;122.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218970;MM218970;C#CC12CCOC1C2N;VOQFGJCCFVYHNM-UHFFFAOYSA-N;123.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218971;MM218971;C=CC12CC=CC1C2N;JSCBCGRYKNDRHK-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218972;MM218972;CN1C2C=CCC21C#N;LDHWNVBUFUVCOB-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218973;MM218973;CC1C2CC(N)C(N)C12;NDSOWDDZIXJQEJ-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218974;MM218974;CC1C(N)CC2C(N)C12;LWABYJDYOAXSSI-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218975;MM218975;CC1C2CC(C)N(C)C12;DESVZFAJEJDAIF-UHFFFAOYSA-N;125.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218976;MM218976;C#CC(CC)N(O)C=NC;CWWMYKJHHBVSSG-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218977;MM218977;CN=C(NO)OC1CC1C;PWQPBIFOQGXYOZ-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218978;MM218978;CC1C2CC(=N)N(C)C12;DPZIJSGJJMLPRE-UHFFFAOYSA-N;124.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218979;MM218979;CC1C2CC(=O)N(C)C12;ILFTWIYMOLIJHA-UHFFFAOYSA-N;125.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218980;MM218980;CC1C2CC(=N)N(N)C12;XHANYEGDGZKDCQ-UHFFFAOYSA-N;125.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218981;MM218981;CC1C2CC(=O)N(N)C12;GRVHYBOGXFXNJU-UHFFFAOYSA-N;126.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218982;MM218982;CC1C2CC(=N)N(O)C12;UUBSBNOEFNEOGJ-UHFFFAOYSA-N;126.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218983;MM218983;CN1C(=N)CC2C(N)C21;PBNJTEAKBDXHHL-UHFFFAOYSA-N;125.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218984;MM218984;CN1C(=N)CC2C(O)C21;RVBKASNWPZNCEO-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218985;MM218985;N#CCC1CN=C(NO)O1;FFTKVLGRROTGLG-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218986;MM218986;CN1C(=N)CC2C(F)C21;SIKGLNFVLUQDBR-UHFFFAOYSA-N;128.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218987;MM218987;CN1C(=O)CC2C(F)C21;AQEIOZJXUGAPMP-UHFFFAOYSA-N;129.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218988;MM218988;N=C1CC2C(F)C2N1N;MOINGLIUPPUVGS-UHFFFAOYSA-N;129.14;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218989;MM218989;NN1C(=O)CC2C(F)C21;LTSVFTSRTGPVPG-UHFFFAOYSA-N;130.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218990;MM218990;C#CCC1CN=C(NO)O1;SOAYRXMLNLHQON-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218991;MM218991;C=C1CN2C(C)C2C1N;PORLLYVQWXZOAW-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218992;MM218992;CC1C2CC(=N)N(C)N12;GTTQDYLBOUPRAQ-UHFFFAOYSA-N;125.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218993;MM218993;CC1C2CC(=O)N(C)N12;IUJZLRQDSOLNSY-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218994;MM218994;C=C1C(C)CC2C(C)C12;QQVHWOWQCUSWSU-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218995;MM218995;C=C1C(N)CC2C(C)C12;YGVPSOWQEXIQQX-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218996;MM218996;CC#CC1CN=C(NO)O1;SQJOIVSVNCXISZ-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218997;MM218997;C=C1C(F)CC2C(C)C12;FHCGKAUJMGOCFF-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218998;MM218998;CC1C2CC(O)C(=O)C12;YFRKSFQXCHTMPF-UHFFFAOYSA-N;126.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM218999;MM218999;CC1C2CC(F)C(=O)C12;BHVKMMFEMYKJDU-UHFFFAOYSA-N;128.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219000;MM219000;C=C1C(F)CC2C(O)C12;AYCPFSSIDKCHHA-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219001;MM219001;O=C1C(O)CC2C(F)C12;IAZHKXXBGOEIMJ-UHFFFAOYSA-N;130.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219002;MM219002;CC1C2CN(C)C(=N)C12;VCLDONMAUXLNCU-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219003;MM219003;CC1C2CN(N)C(=N)C12;SBJMVSSLCBFLOT-UHFFFAOYSA-N;125.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219004;MM219004;CC1C2CN(O)C(=N)C12;ZFVTUQVKAXCGAP-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219005;MM219005;CC1C2CN(C)C(=O)C12;AXKUVFKRSCPWSG-UHFFFAOYSA-N;125.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219006;MM219006;CC1C2CN(N)C(=O)C12;VSPAGBOEJNURHK-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219007;MM219007;CN1CC2C(O)C2C1=N;HMKAVHIPZQCBBZ-UHFFFAOYSA-N;126.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219008;MM219008;N=C1C2C(O)C2CN1N;ZHPWFRNAVORYGK-UHFFFAOYSA-N;127.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219009;MM219009;CN1CC2C(O)C2C1=O;VUDQACINQCAADZ-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219010;MM219010;CN1CC2C(F)C2C1=N;MKVAJVDBAILFGT-UHFFFAOYSA-N;128.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219011;MM219011;C=C1C(N)CC2C1N2C;KEYYOBRYSKSBGI-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219012;MM219012;NC=CC1=NC(=NN)CN1;ZGQJQTAWGDVPHU-UHFFFAOYSA-N;139.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219013;MM219013;CN1CC2C(C1=N)N2C;ZSUHSWVHLRGTMH-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219014;MM219014;CN1C2CN(N)C(=N)C21;KEJSYYVTUUYPFY-UHFFFAOYSA-N;126.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219015;MM219015;C=CCC1COC(NO)=N1;CULNJDNCBWJMDD-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219016;MM219016;CC1C2CN(C)C(=N)N12;ZKHZDPJTEYBMRN-UHFFFAOYSA-N;125.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219017;MM219017;CC1C2CN(N)C(=N)N12;RUHLCLVXHBQEAQ-UHFFFAOYSA-N;126.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219018;MM219018;CC1C2CN(O)C(=N)N12;HXWJQAXTGPBJFI-UHFFFAOYSA-N;127.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219019;MM219019;CC1C2CN(C)C(=O)N12;GHEKEEHUWBVHAS-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219020;MM219020;CC1C2CN(N)C(=O)N12;KFDNZWCODYAVME-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219021;MM219021;CC1C2CN(O)C(=O)N12;WBTOSZUEUSHHSN-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219022;MM219022;C=C1CC2C(C)C2C1=C;NXFJYVGRYLDYOI-UHFFFAOYSA-N;120.2;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219023;MM219023;C=C1C(=O)CC2C(C)C12;NOPDMNMFRWDIGR-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219024;MM219024;C=C1CC2C(C)C2C1=O;KGFHDOOLIQLIQB-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219025;MM219025;CC1C2CC(=O)C(=O)C12;HQAPERIVHWJDIA-UHFFFAOYSA-N;124.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219026;MM219026;C=C1CC2C(N)C2C1=C;OPLOYQYJYHENCF-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219027;MM219027;C=C1C(=O)CC2C(F)C12;TUYAVKAJDBFZRW-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219028;MM219028;C=C1CC2C(F)C2C1=O;VHAUDKQHLBRLCL-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219029;MM219029;O=C1CC2C(F)C2C1=O;XMSQGCJDQMEJNC-UHFFFAOYSA-N;128.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219030;MM219030;CC#CC1COC(NO)=N1;FXESMJJKCASFDZ-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219031;MM219031;C=C1CC2C(C1=O)N2C;ACQXFNPUBNCXBP-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219032;MM219032;CCC12CC1N=C(NO)O2;OEGRSRSGVWRTAO-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219033;MM219033;C=CC12CC1N=C(NO)O2;WYQWMLSEZIHLLK-UHFFFAOYSA-N;140.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219034;MM219034;C=C1CC2C(C)N2C1=N;UDPRACJTKHNLGC-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219035;MM219035;CC1(CO)CN1C1CC1O;MELDHLVPADHJTQ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219036;MM219036;C=C1CC2C(C)N2C1=O;FQIFVKIHXAZXMK-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219037;MM219037;CC1C2CC(=O)C(=O)N12;NXYDKHUAYBCPQM-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219038;MM219038;CC1=C(C)C2C(C)C2C1;BADQFZGCKGIBOF-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219039;MM219039;CC1=C(F)CC2C(C)C12;PVTJRWWOSXCJAJ-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219040;MM219040;CC1=C(F)C2C(C)C2C1;DQTLTAXBOOWIFY-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219041;MM219041;CC1=C(C)C2C(N)C2C1;PESGTXFYKSVRKS-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219042;MM219042;CC1=C(F)CC2C(N)C12;DKMKBUCRSAVEHK-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219043;MM219043;CC1=C(F)C2C(N)C2C1;OQYKNMUDMFEUPO-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219044;MM219044;CC1=C(F)CC2C(F)C12;ACCLERNRSRYWJI-UHFFFAOYSA-N;130.14;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219045;MM219045;CC1=C(C)C2C(N)C2O1;PZUXBUUSSDFRHY-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219046;MM219046;CC1=C(C)C2C(F)C2O1;VWWSYCHHUBWMDT-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219047;MM219047;CCC1CC2C(C)C2C1;PXNNBKMCDQMJMI-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219048;MM219048;CC1C2CC(CN)CC12;FTOKMHDRLDVJPS-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219049;MM219049;CNn1ncc(CO)c1C;HNAQTYGTBMWWOB-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219050;MM219050;CCC1CC2C(N)C2C1;OGPCQACWFZZRAZ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219051;MM219051;NCC1CC2C(N)C2C1;KBVGIWQPKRLQDN-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219052;MM219052;Cc1c(CO)cnn1C=N;SAMGJZRHAUULGJ-UHFFFAOYSA-N;139.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219053;MM219053;NCC1CC2C(O)C2C1;PYBQIOFRRRSKED-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219054;MM219054;CC=CC1NC1C(O)CC;TUZSDFQRGXYLKB-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219055;MM219055;CCC1CC2C(F)C2C1;BUSSVLPCTUCMML-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219056;MM219056;CNC1CC2C(C)C2C1;YIWFUNZEVTUGQL-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219057;MM219057;CNC1CC2C(N)C2C1;BTXFQKJVZFUBID-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219058;MM219058;CNC1CC2C(O)C2C1;LXPFPVUDCBTOOQ-UHFFFAOYSA-N;127.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219059;MM219059;COC1CC2C(C)C2C1;JSVRTSIHVBUVGI-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219060;MM219060;CCC1CC2C(C)C2N1;GWJDTPBRBIPQJU-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219061;MM219061;CC1C2CC(CF)NC12;WVQXGOSNQDJLMW-UHFFFAOYSA-N;129.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219062;MM219062;CCC1CC2C(N)C2N1;VVOZMHCPJZUDAA-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219063;MM219063;NCC1CC2C(N)C2N1;YRMRXURJPCWKCZ-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219064;MM219064;CCC1CC2C(O)C2N1;MOUPMXPVWJWZQJ-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219065;MM219065;NCC1CC2C(O)C2N1;FPYTUFXZKSHAKC-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219066;MM219066;CCC1CC2C(C)C2O1;TXZFXSCGMXAXOB-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219067;MM219067;CC1C2CC(CN)OC12;WYEWUGBTSMPNGN-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219068;MM219068;CCC1CC2C(N)C2O1;IQKZVIVMZKDQPK-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219069;MM219069;NCC1CC2C(N)C2O1;UIRICNQZMWPUAI-UHFFFAOYSA-N;128.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219070;MM219070;NCC1CC2C(O)C2O1;HGWMOXMCVCVDJZ-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219071;MM219071;NCC1CC2C(F)C2O1;NRYBEYLLXLPADR-UHFFFAOYSA-N;131.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219072;MM219072;COC1CC2C(C)C2O1;RVJLVWMNGMOGDY-UHFFFAOYSA-N;128.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219073;MM219073;CCC1OC2C(F)C2O1;PBMTYLIAEQBXBR-UHFFFAOYSA-N;132.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219074;MM219074;CCN1CC2C(C)C2C1;FEHHADJLLSMBGF-UHFFFAOYSA-N;125.22;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219075;MM219075;CCN1CC2C(N)C2C1;URQKRTWNBSVLNB-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219076;MM219076;CCN1CC2C(F)C2C1;INGPGHVDGICQKY-UHFFFAOYSA-N;129.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219077;MM219077;CCC1CC2C(C1)N2C;IBGYHYHWLYPQHV-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219078;MM219078;CNN(C=O)C1C(C)C1O;VUDLQTAMFPUQLX-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219079;MM219079;CNC1CC2C(C1)N2C;ZXCQOLBBPHFZLR-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219080;MM219080;COC1CC2C(C1)N2C;NEXROYNIZNFZNR-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219081;MM219081;CCN1CC2C(C1)N2C;UNYLSZPTKRPXOQ-UHFFFAOYSA-N;126.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219082;MM219082;CCC1CC2C(C)N2C1;CKIBGOMPYBYAGV-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219083;MM219083;CC1C2CC(CN)CN12;BZWKQXRAVOYSGO-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219084;MM219084;CNC1CC2C(C)N2C1;CWYSONOFCPECCO-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219085;MM219085;C=CC1CC2C(C)C2C1;NJFPZWKWCHJBPY-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219086;MM219086;CC1C2CC(C=O)CC12;TUTNDFMDRFQOJA-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219087;MM219087;CC1C2CC(C=O)NC12;YDUHDUMUASALCS-UHFFFAOYSA-N;125.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219088;MM219088;CC1C2CC(C=O)OC12;ULBWNBXFTVYHBH-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219089;MM219089;C=CC1OC2C(F)C2O1;VZJLHFRGXRQPSH-UHFFFAOYSA-N;130.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219090;MM219090;CC1C2CN(C=N)CC12;DPIDZFPIDPPARN-UHFFFAOYSA-N;124.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219091;MM219091;CC1C2CN(C=O)CC12;FWWOVDYOMZXPJR-UHFFFAOYSA-N;125.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219092;MM219092;N=CN1CC2C(N)C2C1;IAMPHCJPKAYPJI-UHFFFAOYSA-N;125.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219093;MM219093;NC1C2CN(C=O)CC12;MPVXRTFOPNLXMR-UHFFFAOYSA-N;126.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219094;MM219094;C=NN1CC2C(C)C2C1;DEWXRRBGFXDNDC-UHFFFAOYSA-N;124.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219095;MM219095;C=NN1CC2C(N)C2C1;FPCMGKHYCJRSOI-UHFFFAOYSA-N;125.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219096;MM219096;C=NN1CC2C(F)C2C1;JFUSLXPGSDARGU-UHFFFAOYSA-N;128.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219097;MM219097;CC1C2CN(C=O)NC12;HHAVLIMCLIXAPO-UHFFFAOYSA-N;126.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219098;MM219098;N=CN1CC2C(N)C2N1;CAWAQHRMXXIEHC-UHFFFAOYSA-N;126.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219099;MM219099;CC1C2CN(C=O)OC12;ZXEGBAGIFPKZFG-UHFFFAOYSA-N;127.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219100;MM219100;NC1C2CN(C=O)OC12;LPCXKJBIHKHDBS-UHFFFAOYSA-N;128.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219101;MM219101;CCCC(O)C1C(C)N1C;VVTRTLVDPYCLOG-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219102;MM219102;CN1C2CC(C#N)CC21;GQXOXWAMLNXHCO-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219103;MM219103;CN1C2CN(C=N)CC21;LTEXFIMKFVSMSO-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219104;MM219104;CN1C2CN(C=O)CC21;RECQNTITRDQTHM-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219105;MM219105;C#CC1CC2C(N)C2C1;QNGCIZJDHPDIJJ-UHFFFAOYSA-N;121.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219106;MM219106;C#CC1OC2C(N)C2O1;FNKKPPZFQZNFBF-UHFFFAOYSA-N;125.13;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219107;MM219107;CC=C1CC2C(C)C2C1;MXBOKOBEXLVWAY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219108;MM219108;CC1C2CC(=CF)CC12;SNYTWPWHKUVRER-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219109;MM219109;CC=C1CC2C(N)C2C1;FBYOWECQZDUSOJ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219110;MM219110;NC1C2CC(=CF)CC12;XGIFKESOVCYKRO-UHFFFAOYSA-N;127.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219111;MM219111;CCC1CN=C(NO)OC1;LPIKRNMISQUWPN-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219112;MM219112;CC=C1CN=C(NO)OC1;QFXOIBRSDGRMJE-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219113;MM219113;CC=C1CC2C(F)C2C1;GAJNUTVZIXYTFH-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219114;MM219114;CC1C2CC(=NN)CC12;ZGIHSINUEREYBH-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219115;MM219115;CC1C2CC(=NO)CC12;BVGAIZZBVPOVGF-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219116;MM219116;NC1C2CC(=NO)CC12;JBDVKYPVKXILRJ-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219117;MM219117;ONC1=NCC(=CF)CO1;NHZPSWOTTMPZOU-UHFFFAOYSA-N;146.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219118;MM219118;ON=C1CC2C(O)C2C1;BONQBIFZLMBYBC-UHFFFAOYSA-N;127.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219119;MM219119;NN=C1CC2C(F)C2C1;CHGMTLLLOUDAKP-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219120;MM219120;ON=C1CC2C(F)C2C1;SIMGVQKFRAZKEP-UHFFFAOYSA-N;129.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219121;MM219121;CN=C1CC2C(C)C2N1;MYLHEJDOUDODFV-UHFFFAOYSA-N;124.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219122;MM219122;CC1C2CC(=NN)NC12;UXEZCIQSIFMANG-UHFFFAOYSA-N;125.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219123;MM219123;NN=C1CN=C(NO)OC1;XJQBIUONSYHUCH-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219124;MM219124;CN=C1CC2C(N)C2N1;OHGLSNINPWTABH-UHFFFAOYSA-N;125.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219125;MM219125;NNC1=NC2C(O)C2C1;CJGFXLHGHRBMOT-UHFFFAOYSA-N;127.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219126;MM219126;CC=C1CC2C(C)C2O1;KPQRHJQMSMCEFN-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219127;MM219127;CC1C2CC(=CF)OC12;NEQUIXVUAARYCZ-UHFFFAOYSA-N;128.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219128;MM219128;CC=C1CC2C(N)C2O1;YYVNZRDWTJUBJB-UHFFFAOYSA-N;125.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219129;MM219129;OC1C2CC(=CF)OC12;TWIWQMHGVIUUGR-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219130;MM219130;CC=C1CC2C(F)C2O1;YAFRKBUIGDOOBD-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219131;MM219131;CC1(CO)NC1CO;IHFWYPYPBBCQHW-UHFFFAOYSA-N;117.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219132;MM219132;CC1C2CC(=NO)OC12;JIDRVGYPBWNVCG-UHFFFAOYSA-N;127.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219133;MM219133;CC1C(=N)N=CN1O;XNJAQQMBCAMIBD-UHFFFAOYSA-N;113.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219134;MM219134;ON=C1CC2C(F)C2O1;VZHSFTNXOWKYHN-UHFFFAOYSA-N;131.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219135;MM219135;CN=C1NC2C(C)C2N1;HTUAKKFNLAFUST-UHFFFAOYSA-N;125.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219136;MM219136;CC1C2NC(=NN)NC12;WTYNRLNIXVAYLX-UHFFFAOYSA-N;126.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219137;MM219137;CN=C1NC2C(F)C2N1;SGQUSVKURRWQMA-UHFFFAOYSA-N;129.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219138;MM219138;C=CN=C1CNC=N1;IEMAUWNVDRPLRM-UHFFFAOYSA-N;109.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219139;MM219139;CC=C1CC2C(C1)N2C;XJDOBGAPFSYPCP-UHFFFAOYSA-N;123.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219140;MM219140;CN1C2CC(=CF)CC21;NIUKXYWEYGGKBG-UHFFFAOYSA-N;127.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219141;MM219141;CN1C2CC(=NN)CC21;PVCZUHYHXROIBJ-UHFFFAOYSA-N;125.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219142;MM219142;CN=C1CC2C(C)N2N1;XEAKNHDCMCJWQI-UHFFFAOYSA-N;125.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219143;MM219143;CCC1=CC2C(C)C2C1;RWFMOHRVAMCFGI-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219144;MM219144;CC1C2C=C(CN)CC12;PFDLCTFQVCYDHM-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219145;MM219145;CC1C2C=C(CO)CC12;XNVABTXXKOUZJY-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219146;MM219146;CC1C2C=C(CF)CC12;HUZIOTJABOTFED-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219147;MM219147;CCC1=CC2C(N)C2C1;UGMILFCQLWNVGX-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219148;MM219148;NCC1=CC2C(N)C2C1;SRHSQROHKPBZNZ-UHFFFAOYSA-N;124.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219149;MM219149;NC1C2C=C(CO)CC12;XNKYSXDENCNWRO-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219150;MM219150;NC1C2C=C(CF)CC12;BGQHLADVJIILGS-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219151;MM219151;C=NNC1C(C)C1O;QPLMDSWNOKWNJU-UHFFFAOYSA-N;114.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219152;MM219152;NCC1=CC2C(O)C2C1;IZCBFXFFNDSWBJ-UHFFFAOYSA-N;125.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219153;MM219153;CC(C)=CN(O)C=NN;XMFTXTSUTBJORL-UHFFFAOYSA-N;129.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219154;MM219154;CC(=O)C#CC(=N)NO;AHNGTUWQKLHVPV-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219155;MM219155;CCC1=CC2C(F)C2C1;HFYUEHRNHSGCLZ-UHFFFAOYSA-N;126.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219156;MM219156;NCC1=CC2C(F)C2C1;IFVPMVQFKXYWGO-UHFFFAOYSA-N;127.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219157;MM219157;OCC1=CC2C(F)C2C1;FMDSVSOPWSJTHO-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219158;MM219158;COC1=CC2C(C)C2C1;QWWVOXUJUKBHCU-UHFFFAOYSA-N;124.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219159;MM219159;COC1=CC2C(N)C2C1;KDBYBFJNSWLPFG-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219160;MM219160;COC1=CC2C(O)C2C1;BBNOSWUFBIBCOC-UHFFFAOYSA-N;126.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219161;MM219161;COC1=CC2C(F)C2C1;LKOJTYWMHHVKSO-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219162;MM219162;CC1C2N=C(CF)NC12;ZMSSRVBARJZBHG-UHFFFAOYSA-N;128.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219163;MM219163;NCC1=NC2C(N)C2N1;FIQWLHSROSPWAN-UHFFFAOYSA-N;126.16;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219164;MM219164;NCC1=NC2C(O)C2N1;SRVYJMNMEOEHFD-UHFFFAOYSA-N;127.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219165;MM219165;C=CC=CN(O)C=NN;DVDQZTDRSNFFSM-UHFFFAOYSA-N;127.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219166;MM219166;NNC1=NC2C(O)C2N1;DTJPXQZYPFMPAC-UHFFFAOYSA-N;128.14;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219167;MM219167;ONC1=NC2C(O)C2N1;ZHLCGMGIDJWEPG-UHFFFAOYSA-N;129.12;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219168;MM219168;CNC1=NC2C(F)C2N1;SGQUSVKURRWQMA-UHFFFAOYSA-N;129.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219169;MM219169;CC1C2C=C(CF)OC12;NHLMGTYFDCLDOM-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219170;MM219170;NCC1=CC2C(N)C2O1;ONWYERDSJHNKNU-UHFFFAOYSA-N;126.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219171;MM219171;OC1C2C=C(CF)OC12;DNPVDOLXABRNPQ-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219172;MM219172;CCC1=CC2C(F)C2O1;SWBKXNGGYQAIIW-UHFFFAOYSA-N;128.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219173;MM219173;OCC1=CC2C(F)C2O1;QHCOGNCSBAYWKL-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219174;MM219174;C=NN=CN(O)C=CC;HJAGEIJOODLSJX-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219175;MM219175;CN1C2C=C(CN)CC21;HVZKRPYIUHMOIG-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219176;MM219176;C#CCNC(=O)N(C)N;CZHZQYSHJNIYRX-UHFFFAOYSA-N;127.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219177;MM219177;COC1=NN2C(C)C2C1;QPRCFKZJCGRZLK-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219178;MM219178;CC1C2C=C(CN)CN12;VUNYNUKOAUDEEU-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219179;MM219179;C=CN(O)C=NN=CC;BFNHFIXJPBFFSA-UHFFFAOYSA-N;127.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219180;MM219180;C=CC1=CC2C(C)C2C1;JWIPPGAZPOWRAE-UHFFFAOYSA-N;120.2;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219181;MM219181;CC1C2C=C(C=O)CC12;CCMAQMQWXLWNAO-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219182;MM219182;CC1C2C=C(C#N)CC12;UKRFLOCZTKWJJJ-UHFFFAOYSA-N;119.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219183;MM219183;C=CC1=CC2C(N)C2C1;GYCRQHBBGPZNKX-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219184;MM219184;CC1CN(O)C(=N)C1=O;PJCIUZGVAJCLKO-UHFFFAOYSA-N;128.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219185;MM219185;C=NN=C1CN(N)C=N1;ZAKQMZYQZZERBB-UHFFFAOYSA-N;125.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219186;MM219186;CC12CN(O)C(=N)C1O2;IMHPXKRHZUAINZ-UHFFFAOYSA-N;128.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219187;MM219187;C=CC1=CC2C(F)C2C1;DXCIKKCNVKVBQW-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219188;MM219188;O=CC1=CC2C(F)C2C1;POYNUUPIFNSDMH-UHFFFAOYSA-N;126.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219189;MM219189;N#CC1=CC2C(F)C2C1;NVPUNBAVJCANFY-UHFFFAOYSA-N;123.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219190;MM219190;C=CC1=NC2C(C)C2N1;MPCBAEXJMFQGMU-UHFFFAOYSA-N;122.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219191;MM219191;C=CC1=CC2C(C)C2O1;MZGGJEWWDIPKLH-UHFFFAOYSA-N;122.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219192;MM219192;C=CC1=CC2C(N)C2O1;OWCGRBXDCGVPSE-UHFFFAOYSA-N;123.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219193;MM219193;C=CC1=CC2C(O)C2O1;UEKSXNRVUQPSMS-UHFFFAOYSA-N;124.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219194;MM219194;C=CC1=CC2C(F)C2O1;OYECDQADPLNVTF-UHFFFAOYSA-N;126.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219195;MM219195;O=CC1=CC2C(F)C2O1;GGQKGHGSMQBKNN-UHFFFAOYSA-N;128.1;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219196;MM219196;CN1C2C=C(C=O)CC21;ILNJDVVNUPCOJR-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219197;MM219197;CN1C2C=C(C#N)CC21;QZHOFBLJRDYGJR-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219198;MM219198;CC1C2CC(C=O)=CN12;ULGQCOXLKDLKAF-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219199;MM219199;CC1C2CC(C#N)=CN12;PKWRWEBPVWAZJX-UHFFFAOYSA-N;120.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219200;MM219200;CC1C2CC(C=O)=NN12;PBTBHLZYPOXRLN-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219201;MM219201;C#CC1=CC2C(C)C2C1;LJCMAZFHGLVTDJ-UHFFFAOYSA-N;118.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219202;MM219202;C#CC1=CC2C(N)C2C1;OYHRMXMZEWRWFG-UHFFFAOYSA-N;119.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219203;MM219203;C#CC1=CC2C(F)C2C1;FWQXIFUIZIEHAA-UHFFFAOYSA-N;122.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219204;MM219204;N=c1cnn2c(n1)CC2;STGZGYSMIPGXIF-UHFFFAOYSA-N;122.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219205;MM219205;O=c1cnn2c(n1)CC2;CDKSNYNUHBYEIV-UHFFFAOYSA-N;123.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219206;MM219206;O=c1cc2c(co1)CC2;JBBZJCJJBMPILL-UHFFFAOYSA-N;122.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219207;MM219207;O=c1cc2c(co1)NC2;GZNXWDSHCLVWAU-UHFFFAOYSA-N;123.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219208;MM219208;CN=C1N=CN(O)C1C;IZHZMKZKHRKQOK-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219209;MM219209;O=c1nc2c(co1)NC2;KKLSVZLCPKDMTA-UHFFFAOYSA-N;124.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219210;MM219210;O=c1cc2c(co1)OC2;IBRZYRHUXQYJOP-UHFFFAOYSA-N;124.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219211;MM219211;CN=C1C=C(NN)CO1;DIQZLDHGEQEZFY-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219212;MM219212;O=c1nc2c(co1)OC2;IGZOLJBEVILQSP-UHFFFAOYSA-N;125.08;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219213;MM219213;O=c1cc2c(co1)CN2;RQNWHUNHOBFUGI-UHFFFAOYSA-N;123.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219214;MM219214;N=c1nc2c(co1)CN2;BDRMTMBSPATLQG-UHFFFAOYSA-N;123.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219215;MM219215;O=c1nc2c(co1)CN2;NLDWPRIXZVGEKI-UHFFFAOYSA-N;124.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219216;MM219216;O=c1cc2c(co1)CO2;SLHJKQSTFJAAKE-UHFFFAOYSA-N;124.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219217;MM219217;CC1C(O)C1N(N)C=O;WIIBOAUYWMYJIA-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219218;MM219218;O=c1nc2c(co1)CO2;NBVUOMNYQUHAPQ-UHFFFAOYSA-N;125.08;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219219;MM219219;CC1C(F)C(C)C2CC12;UORFKSRUDKVGNT-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219220;MM219220;C=C1C(C)C2CC2C1C;BJBIMLDPIXDTCH-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219221;MM219221;C=C1C(C)C2OC2C1C;YGBBRFOFMAXCKH-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219222;MM219222;C=NN(C)C1C(C)C1O;OPIZYMAQTUGFFE-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219223;MM219223;C=C1C(=C)C2CC2C1F;QNJOFZJQBMSRCY-UHFFFAOYSA-N;124.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219224;MM219224;CC=NNC1C(C)C1O;GTAFGKATIICLKK-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219225;MM219225;C=C1C(=C)C2OC2C1N;HZLBCDOJFPVZLO-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219226;MM219226;C=C1C(=C)C2OC2C1O;PLAMPPOKJKAZHU-UHFFFAOYSA-N;124.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219227;MM219227;C=C1C(C)C(=C)C2OC12;ZWJYSEOKRMBGSK-UHFFFAOYSA-N;122.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219228;MM219228;N=C1N2CC2C2CC12N;DZWHDAZLXJTRKV-UHFFFAOYSA-N;123.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219229;MM219229;Oc1c2[nH]c(c1O)CC2;OMMHNEICKFFDFM-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219230;MM219230;N#Cc1occ(O)c1F;OZIXKGQENQEZFJ-UHFFFAOYSA-N;127.07;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219231;MM219231;O=c1cnn(C2CC2)o1;CRKAZHWIMLUKFU-UHFFFAOYSA-N;126.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219232;MM219232;O=c1occ(C2CC2)o1;SKWSYKRWRBXWAN-UHFFFAOYSA-N;126.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219233;MM219233;O=c1onc(C2CC2)o1;QJAOPBAGSCUZRJ-UHFFFAOYSA-N;127.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219234;MM219234;O=c1occ(C2CN2)o1;FRJJBOIOEDXNGF-UHFFFAOYSA-N;127.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219235;MM219235;O=c1onc(C2CN2)o1;XGFXKJZIAOOMCY-UHFFFAOYSA-N;128.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219236;MM219236;O=c1occ(C2CO2)o1;MGQRRGSFPBPRST-UHFFFAOYSA-N;128.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219237;MM219237;O=c1onc(C2CO2)o1;LXAVSPFWOQNXKR-UHFFFAOYSA-N;129.07;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219238;MM219238;O=c1occ(N2CC2)o1;UMWXXOPLHNDVEK-UHFFFAOYSA-N;127.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219239;MM219239;O=c1onc(N2CC2)o1;RAAQVDRPECKGGE-UHFFFAOYSA-N;128.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219240;MM219240;c1coc(=NN2CC2)o1;UKXXSCXLUIMUCM-UHFFFAOYSA-N;126.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219241;MM219241;c1noc(=NN2CC2)o1;HYIOXGLVMGPLSK-UHFFFAOYSA-N;127.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219242;MM219242;C1CN1N=c1onno1;FNIFEBVDCBVXOD-UHFFFAOYSA-N;128.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219243;MM219243;CNC1C2CC(C)CC21;GRTSUIJSUKURCF-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219244;MM219244;CNC1C2CN(C)CC21;CUNZVFAUPGLFEA-UHFFFAOYSA-N;126.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219245;MM219245;C=CC1C2CC(C)CC12;PLKRXZFZPRMXKH-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219246;MM219246;C=CC1C2CN(C)CC12;WDWREOPUJWGXQV-UHFFFAOYSA-N;123.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219247;MM219247;CN1CC2C(C1)N2C=N;XFESFSWJRBWABT-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219248;MM219248;C#CC1C2CC(C)CC12;KOXJPIZBPKUBBY-UHFFFAOYSA-N;120.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219249;MM219249;COC1C2CC(=O)CC21;WFSDAYRGYWBFHD-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219250;MM219250;CCC1C2CC(=N)NC12;YNWUSRXDWOVPQM-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219251;MM219251;CNC1C2CC(=N)NC21;CJGLNIHHPYPPIT-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219252;MM219252;C=C1CC2C(CN)C2O1;DDTMZIPXZTWGKI-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219253;MM219253;CCC1C2CC(=O)OC12;UMYZYUJMNIGDTI-UHFFFAOYSA-N;126.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219254;MM219254;C=C1CC2C(NC)C2O1;SYWXNTBPWIAQLC-UHFFFAOYSA-N;125.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219255;MM219255;C=C1CC2C(C1)N2CC;LFRYHNUQGKEXDX-UHFFFAOYSA-N;123.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219256;MM219256;C#CC1C(O)C1C=NN;UFZYYMGIUJEHLU-UHFFFAOYSA-N;124.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219257;MM219257;CCC1C2CC(=O)NN12;FTMBUKNXIRMWBN-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219258;MM219258;C=C1CC2C(C#N)C2C1;OCFHPVVXAMTMDC-UHFFFAOYSA-N;119.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219259;MM219259;C=CC1C2CC(=O)NC12;CIWUJCSEKMNMIB-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219260;MM219260;C=CC1C2CC(=O)OC12;ZUWOMVVHNCTAFL-UHFFFAOYSA-N;124.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219261;MM219261;C=C1CC2C(C1)N2C=O;RTLKKOIORYAHOJ-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219262;MM219262;N=CN1C2CC(=O)CC21;OYGASOYMVNRDCB-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219263;MM219263;N=C(N=C(N)CF)C(N)=O;YVOJJYAFZVTMTC-UHFFFAOYSA-N;146.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219264;MM219264;C=NN1C2CC(=C)CC21;UTNFMMLBZGIDKT-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219265;MM219265;CC(F)C=CN(O)C=NN;IKKMPBKLOPLHRH-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219266;MM219266;C=CC1C2CC(=O)NN12;KUNAQVAUKYHEMY-UHFFFAOYSA-N;124.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219267;MM219267;C#CC1C2CC(=N)NN12;YUADOLKLWAAWIP-UHFFFAOYSA-N;121.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219268;MM219268;C#CC1C2CC(=O)NN12;OTVNDFMZWPOHOU-UHFFFAOYSA-N;122.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219269;MM219269;NN=CN(O)C=CC(F)F;XVUSISHRPYUBLM-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219270;MM219270;CCC1C2C=C(F)CC21;LSIXNMAKRRQZKD-UHFFFAOYSA-N;126.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219271;MM219271;CNC1C2C=C(F)CC21;UYFSQGILRGDKTG-UHFFFAOYSA-N;127.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219272;MM219272;C=CC1C2C=C(C)CC12;RROYPJCFFHXATQ-UHFFFAOYSA-N;120.2;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219273;MM219273;CC1=CC2C(C#N)C2C1;BYQWAFIVJGWVIN-UHFFFAOYSA-N;119.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219274;MM219274;CC1=CC2C(C1)N2C=N;AUGAPEKEHBXVOW-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219275;MM219275;CC1=CC2C(C1)N2C=O;ZXJMMXZVQBJGGX-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219276;MM219276;N=CN1C2C=C(F)CC21;UUCXIDSYAVQOOH-UHFFFAOYSA-N;126.13;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219277;MM219277;O=CN1C2C=C(F)CC21;VYPVIDYQSOQGKB-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219278;MM219278;C=NN1C2C=C(C)CC21;ULAQNDXGCMSDSC-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219279;MM219279;C=NN1C2C=C(F)CC21;LDSFEBAKWOMLOM-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219280;MM219280;CC1C2CC1(N)C1CC21;LNHBBGKICVXHAK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219281;MM219281;C=C(C)C=CN(O)C=NN;WCZNSHBCOZZSHH-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219282;MM219282;NC1C2CC1(N)C1NC21;OVHMVXJKNIYEKR-UHFFFAOYSA-N;125.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219283;MM219283;CC1C2CC1(F)C1NC21;BSPONHDMZYTBQV-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219284;MM219284;NC1C2CC1(F)C1NC21;UJNNEBQDDKFKLH-UHFFFAOYSA-N;128.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219285;MM219285;CC12CC(C1=O)C1CC12;VDOGWMQDVCSXRJ-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219286;MM219286;CC12CC(C1=O)C1OC12;PZGLYXBKXAEIJZ-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219287;MM219287;CC1C(C)C1CC1CC1;TYWNWPGAHJVFQH-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219288;MM219288;CC1C(N)C1CC1CC1;IHCPGXOPTZUTGN-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219289;MM219289;C=C(F)C=CN(O)C=NN;TYDFAYFKAPPQKM-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219290;MM219290;NC1C(N)C1CC1CC1;PSNWNKZTRVCKNG-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219291;MM219291;NC1C(O)C1CC1CC1;NIVNNONFUYEEOX-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219292;MM219292;NC1C(F)C1CC1CC1;NCROQEFLUGEXMM-UHFFFAOYSA-N;129.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219293;MM219293;OC1C(O)C1CC1CC1;CHIUAIBCRHUPJA-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219294;MM219294;OC1C(F)C1CC1CC1;FZWPCIOVDAJUFB-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219295;MM219295;CC1C(C)C1NC1CC1;BHVOXCLWYBMTNI-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219296;MM219296;CC1C(N)C1NC1CC1;HKXQQSKHYGACHE-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219297;MM219297;CC1C(O)C1NC1CC1;SOAOXDUTQUIVGS-UHFFFAOYSA-N;127.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219298;MM219298;NC1C(N)C1NC1CC1;XYKXITARIDYFIR-UHFFFAOYSA-N;127.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219299;MM219299;NC1C(O)C1NC1CC1;HSTMYDOXQAJAJM-UHFFFAOYSA-N;128.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219300;MM219300;CC1C(C)C1OC1CC1;FJVPSVKZWODZBK-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219301;MM219301;CC1C(N)C1OC1CC1;GKVLZAJLQAZORS-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219302;MM219302;CC1C(O)C1OC1CC1;HRBFQJTWQOKNIY-UHFFFAOYSA-N;128.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219303;MM219303;NC1C(N)C1OC1CC1;JHERWPOKWSKSFL-UHFFFAOYSA-N;128.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219304;MM219304;NC1C(O)C1OC1CC1;UJWMUBGPWHBTOW-UHFFFAOYSA-N;129.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219305;MM219305;OC1C(O)C1OC1CC1;WGZWCMROAJUNDL-UHFFFAOYSA-N;130.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219306;MM219306;CC1C(N)C1CC1CN1;BTRCRLRNLNMVJH-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219307;MM219307;NC1C(N)C1CC1CN1;JKRLZGCMXYPKHO-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219308;MM219308;NC1C(O)C1CC1CN1;ADWWIPKOILJABN-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219309;MM219309;CC1C(C)C1CC1CO1;BACODNDVNOBTEL-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219310;MM219310;CC1C(O)C1CC1CO1;VPANLFZZLFXVQG-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219311;MM219311;NC1C(N)C1CC1CO1;ZCJXVOUJXLYDRC-UHFFFAOYSA-N;128.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219312;MM219312;NC1C(O)C1CC1CO1;AFAXGOWVLZGYMY-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219313;MM219313;OC1C(O)C1CC1CO1;BNHKTYHXLXUQJJ-UHFFFAOYSA-N;130.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219314;MM219314;OC1C(F)C1CC1CO1;WNFSVBRIQWTSOA-UHFFFAOYSA-N;132.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219315;MM219315;CC1C(N)C1CN1CC1;MRFVZPPRGHZGBT-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219316;MM219316;NC1C(N)C1CN1CC1;XWXVJRFOBAHCGN-UHFFFAOYSA-N;127.19;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219317;MM219317;NC1C(O)C1CN1CC1;PEBZEDPUVPZQBY-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219318;MM219318;C=CN(O)C=NN=C(C)C;OTGHFDSMMNOULC-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219319;MM219319;CC(=CN(O)C=NN)CF;KSYOTMLVWCYTPI-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219320;MM219320;CC1C(CN2CC2)N1C;DCOXLLFCRNUMBM-UHFFFAOYSA-N;126.2;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219321;MM219321;CC1C(C)N1CC1CO1;XQBHRZOSQIDLNA-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219322;MM219322;CCC1CC2OC2C1C;ZQIIMGWTVPUGAL-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219323;MM219323;CCC1CN2CC2C1N;OFHIDYZDHACWAH-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219324;MM219324;C=CC1CC2CC2C1C;JVYRSQLXLUGUFU-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219325;MM219325;CC1C2CC2CN1C=N;SMCGFJSQKBBFRW-UHFFFAOYSA-N;124.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219326;MM219326;C=NN1CC2CC2C1C;BIOGBZLSNSCNCI-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219327;MM219327;C=CC1CC2NC2C1N;PXGDVRONLFDOJL-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219328;MM219328;CC1C2NC2CN1C=N;BWOLPLQREKDFSZ-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219329;MM219329;C=NN1CC2NC2C1C;LXFIAASKWGNXFI-UHFFFAOYSA-N;125.18;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219330;MM219330;C=NN1CC2OC2C1C;KBHYQUAQRKTUBO-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219331;MM219331;CCN1CC2CC2C1=N;VABCNCAMIKBQPT-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219332;MM219332;CCC1CC2CN2C1=N;GNWCIROAXFUJSP-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219333;MM219333;N=C1C(CN)CC2CN12;YFFHTJKVZIIPRW-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219334;MM219334;CCC1CC2CN2C1=O;CZDWIEQAACBNQC-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219335;MM219335;CNC1CC2CN2C1=N;TUMFWJSKZHJXNC-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219336;MM219336;CCN1CC2CN2C1=N;JNBWCBQUABLVND-UHFFFAOYSA-N;125.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219337;MM219337;CCN1CC2CN2C1=O;IFILWYBXTCZTMH-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219338;MM219338;CNN1CC2CN2C1=N;CTWRSVKFIGMHGR-UHFFFAOYSA-N;126.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219339;MM219339;CNN1CC2CN2C1=O;XRYJGDPKDVRMKH-UHFFFAOYSA-N;127.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219340;MM219340;C=C1C2CC2CN1C=N;SLDKOVWAIVOXFV-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219341;MM219341;C=CN1CC2CC2C1=N;CYDHDSRGMKSJPP-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219342;MM219342;C=CC1CC2CN2C1=N;KXAUZBBUDDXSMX-UHFFFAOYSA-N;122.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219343;MM219343;N#CC1CC2CN2C1=N;SIVFIYQMEVVGET-UHFFFAOYSA-N;121.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219344;MM219344;C=CC1CC2CN2C1=O;BPMFLBIFFZLKKQ-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219345;MM219345;C=CN1CC2CN2C1=N;KZIANNLTEZOJPS-UHFFFAOYSA-N;123.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219346;MM219346;N=CN1CC2CN2C1=N;HQHWLOHMMACTCW-UHFFFAOYSA-N;124.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219347;MM219347;N=C1N(C=O)CC2CN12;YFQHPBMVGSLAAP-UHFFFAOYSA-N;125.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219348;MM219348;C=CN1CC2CN2C1=O;ILUSJPPLAPCGLF-UHFFFAOYSA-N;124.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219349;MM219349;N=CN1CC2CN2C1=O;XPSCQISMEKXMMQ-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219350;MM219350;C=NN1CC2CN2C1=N;ZYTBZILCPMWDTH-UHFFFAOYSA-N;124.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219351;MM219351;C=NN1CC2CN2C1=O;RVPVDLMJEZROLT-UHFFFAOYSA-N;125.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219352;MM219352;C#CC1CC2CN2C1=N;VMPVRIHOFLHAHU-UHFFFAOYSA-N;120.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219353;MM219353;C#CC1CC2CN2C1=O;RWOHXLRUQHCQDF-UHFFFAOYSA-N;121.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219354;MM219354;CC=C1CC2CC2C1C;BMFVKOSFXFYFBR-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219355;MM219355;CC=C1CC2CC2C1N;AFTOFUWIPICLGH-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219356;MM219356;CC(=NN)N(O)CC(F)F;SJMOUWJZXJCHTK-UHFFFAOYSA-N;153.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219357;MM219357;CC=C1CC2NC2C1N;DOKANBKPWHZDGU-UHFFFAOYSA-N;124.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219358;MM219358;CC=C1CC2OC2C1C;WFMWGMSYHSWGJR-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219359;MM219359;CC=C1CN2CC2C1C;VQRZQFOGXXRHIS-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219360;MM219360;CC=C1CN2CC2C1N;QKYJOEDBFSOYPO-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219361;MM219361;C=C1C(=CC)CC2CC12;LBVNOFQOACPZTI-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219362;MM219362;C=C1C(=CC)CC2OC12;XSMALTMHMQDJFK-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219363;MM219363;CC=C1CC2CN2C1=N;CPJPMBSJOPHHKG-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219364;MM219364;N=C1C(=CN)CC2CN12;BDVBCRLBJBHAPD-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219365;MM219365;N=C1C(=CF)CC2CN12;SJZBOPFMIKJHGD-UHFFFAOYSA-N;126.13;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219366;MM219366;CC=C1CC2CN2C1=O;CXFISDLVIDGELH-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219367;MM219367;CC(=NN)N(O)CC(N)=O;WXVIVOPHXCWIND-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219368;MM219368;CC1C(CN)=CC2CC21;BJISZRKUQSESEJ-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219369;MM219369;CC(=O)OC(C=NN)CO;UGSIDSPXCVFOIC-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219370;MM219370;CC1C(CN)=CC2NC21;JAZVDYGOEYHEPO-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219371;MM219371;CON=CCC#CC(N)=O;WKOSKVZEVNMCFR-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219372;MM219372;CCC1=CC2OC2C1C;OUQVZYUBTHLAHJ-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219373;MM219373;CCC1=CC2OC2C1N;YOBVYYXSRHUMON-UHFFFAOYSA-N;125.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219374;MM219374;CC1C(CN)=CC2CN21;ZACBSCZXWWGBFI-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219375;MM219375;C=CC1=CC2CC2C1C;MTZINRYREWDTTB-UHFFFAOYSA-N;120.2;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219376;MM219376;CC1C(C=O)=CC2CC21;NCKKVAFHGBPNCH-UHFFFAOYSA-N;122.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219377;MM219377;C=CC1=CC2CC2C1N;YHJFHCCIUTWKKD-UHFFFAOYSA-N;121.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219378;MM219378;CC1C(C=O)=CC2NC21;XVKLQDLUUURBIO-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219379;MM219379;C=CC1=CC2NC2C1N;ZQPBXPBVBVCYGV-UHFFFAOYSA-N;122.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219380;MM219380;C=CC1=CC2OC2C1C;LFSKCJGQXUAIMJ-UHFFFAOYSA-N;122.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219381;MM219381;C=CC1=CC2OC2C1N;SPEPVTYKOSFMBL-UHFFFAOYSA-N;123.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219382;MM219382;C=C1C(CC)=CC2CC12;XZRNJUXQUDBIJE-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219383;MM219383;CCC1=CC2CC2C1=O;OUNGVLFACZHQSJ-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219384;MM219384;C=C1C(CC)=CC2NC12;OPPCQXTXHXUOMA-UHFFFAOYSA-N;121.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219385;MM219385;C=C1C(CN)=CC2NC12;MPSWQCXNPFHGPV-UHFFFAOYSA-N;122.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219386;MM219386;C=C1C(CC)=CC2OC12;XJIVYJZOIPIHLW-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219387;MM219387;CCC1=CC2CN2C1=N;FUAOLZKXNSNXFE-UHFFFAOYSA-N;122.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219388;MM219388;N=C1C(CN)=CC2CN12;XUHJFSOSZRKOQW-UHFFFAOYSA-N;123.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219389;MM219389;N=C1C(CO)=CC2CN12;OUOPYBPHGWRZLX-UHFFFAOYSA-N;124.14;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219390;MM219390;N=C1C(CF)=CC2CN12;NVXRSPCGZIRINU-UHFFFAOYSA-N;126.13;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219391;MM219391;CCC1=CC2CN2C1=O;VPXSJHDFKVBRGL-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219392;MM219392;COC1=CC2CN2C1=O;OISXHYZQBRYPQY-UHFFFAOYSA-N;125.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219393;MM219393;C=CC1=CC2CC2C1=C;DDWRUUWKLAZRIM-UHFFFAOYSA-N;118.18;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219394;MM219394;C=C1C(C=O)=CC2CC12;SQNKNEMVUSOSBO-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219395;MM219395;C=CC1=CC2CC2C1=O;FGJWSNFHLOSVMI-UHFFFAOYSA-N;120.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219396;MM219396;COCC=CN(O)C=NN;HUTBKXYJFYLJSP-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219397;MM219397;C=CC1=CC2OC2C1=C;VOKDCMIBUMYUHW-UHFFFAOYSA-N;120.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219398;MM219398;C=CC1=CC2CN2C1=N;XJLVAIGJNIZDEL-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219399;MM219399;C=CC1=CC2CN2C1=O;DGKOWKYLPSXSIX-UHFFFAOYSA-N;121.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219400;MM219400;O=CC1=CC2CN2C1=O;RRUJQMYAVPBYBL-UHFFFAOYSA-N;123.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219401;MM219401;CCC1=C(C)C2CC2C1;QWIJAFQBOFANSU-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219402;MM219402;CC1=C(CN)CC2CC12;BFLULXMZYMTAJN-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219403;MM219403;CC1=C(CN)CC2NC12;FJQBGOFLWPKUFC-UHFFFAOYSA-N;124.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219404;MM219404;CCC1=C(C)C2OC2C1;UUQJIWOCVURDOG-UHFFFAOYSA-N;124.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219405;MM219405;C=CC1=C(C)C2CC2C1;ISBRXDCFNFPFFY-UHFFFAOYSA-N;120.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219406;MM219406;CC1=C(C=O)CC2CC12;LWBDGMPAEYJMLE-UHFFFAOYSA-N;122.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219407;MM219407;CC1=C(C#N)CC2CC12;USXKBQPSYKGGJW-UHFFFAOYSA-N;119.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219408;MM219408;N#CC1=C(N)C2CC2C1;QULDLFGKOOJCIV-UHFFFAOYSA-N;120.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219409;MM219409;C=CC1=C(C)C2CC2O1;VEJKWLMUTIQKOJ-UHFFFAOYSA-N;122.17;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219410;MM219410;CC1=C(C#N)CC2NC12;HBCHCNXVNOZMEW-UHFFFAOYSA-N;120.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219411;MM219411;N#CC1=C(N)C2NC2C1;RQSYBIHUXUHTEU-UHFFFAOYSA-N;121.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219412;MM219412;C=CC1=C(C)C2OC2C1;DHHIFLAQWGZAJH-UHFFFAOYSA-N;122.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219413;MM219413;CC1=C(C#N)CC2OC12;PVGBOUFJPILAMV-UHFFFAOYSA-N;121.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219414;MM219414;CC1=C(C=O)CN2CC12;HSKFCOMYJQQWIS-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219415;MM219415;CC1=C(C#N)CC2CN12;PINXNQNDQVCIQC-UHFFFAOYSA-N;120.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219416;MM219416;NC1=C(C=O)CC2CN12;FIGAVBAXLHKZAD-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219417;MM219417;N#CC1=C(N)N2CC2C1;IQMGYHHPYXOKAE-UHFFFAOYSA-N;121.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219418;MM219418;C#CC1=C(C)C2CC2C1;ANSALKYASJDPLM-UHFFFAOYSA-N;118.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219419;MM219419;C#CC1=C(C)C2OC2C1;RFFNFGYAIRGDPO-UHFFFAOYSA-N;120.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219420;MM219420;CCC1CC1C1CC1C;CNBFFCQSJXSITP-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219421;MM219421;CC1CC1C1CC1CN;NLPAFIJWILYOJD-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219422;MM219422;NN=CN(O)C=CC=CF;OHERPMRMZFTZAA-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219423;MM219423;CCC1CC1C1CC1N;CYVBCEWGHCVHLQ-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219424;MM219424;NCC1CC1C1CC1N;VJOWZSHESHVBMP-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219425;MM219425;NC1CC1C1CC1CO;LRDZBXTUJWPFHE-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219426;MM219426;NC1CC1C1CC1CF;FJKQKGAHVLNTCU-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219427;MM219427;CC=CN(O)C=NN=CC;OQNAMPKIYQRTAC-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219428;MM219428;CCC1CC1C1CC1F;HGUKVGHYKDJFHU-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219429;MM219429;CNC1CC1C1CC1C;VYJZICMQNHHDRC-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219430;MM219430;CNC1CC1C1CC1N;FXJAEKXHVNGQFR-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219431;MM219431;COC1CC1C1CC1C;ZSZKPRGLYRBQHM-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219432;MM219432;CC1NC1C1CC1CN;QYIMUPYFFFZOIP-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219433;MM219433;CNC1CC1C1NC1C;JYGSHEWPSBIUNT-UHFFFAOYSA-N;126.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219434;MM219434;CCC1CC1C1OC1C;MHOVACJOOZXSCS-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219435;MM219435;CNC1CC1C1OC1C;SDNQCDSCDHSCEX-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219436;MM219436;CC1CC1C1NC1CN;NFZXCTFXIXJURH-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219437;MM219437;CC1CC1C1NC1CF;BIWRNAXPVSBUKV-UHFFFAOYSA-N;129.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219438;MM219438;CCC1NC1C1CC1N;CHAMNHZGGWMKHP-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219439;MM219439;NCC1NC1C1CC1N;QCNMMSCXYLQOKZ-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219440;MM219440;NC1CC1C1NC1CO;PZWILOLIWUHJNB-UHFFFAOYSA-N;128.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219441;MM219441;CCC1OC1C1CC1C;VEBAOBCSEAPKFM-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219442;MM219442;CC1CC1C1OC1CN;VCMRFHUZTQELCT-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219443;MM219443;CC1CC1C1OC1CO;MPUOVTIWDKMRPR-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219444;MM219444;CC1CC1C1OC1CF;YDLPRHOPAVASQF-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219445;MM219445;NC1CC1C1OC1CO;YXCAKYDTACHJCD-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219446;MM219446;CC1NC1C1OC1CN;FYDPQLCFLTUCJD-UHFFFAOYSA-N;128.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219447;MM219447;CC1OC1C1OC1CN;OOOVDOONSNYAKE-UHFFFAOYSA-N;129.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219448;MM219448;CN1CC1C1CC1CN;PDCLLCZTMYVDHL-UHFFFAOYSA-N;126.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219449;MM219449;CNC1CC1C1CN1C;VEMCFATWHVHGQD-UHFFFAOYSA-N;126.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219450;MM219450;CCN1CC1C1OC1C;BDYMKGJTONAWRV-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219451;MM219451;CCN1CC1C1CN1C;VFJZCAIHOQWAHI-UHFFFAOYSA-N;126.2;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219452;MM219452;CC1CN1C1CC1CN;XOGKJQUKLSVDCS-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219453;MM219453;CNC1CC1N1CC1C;PZXRCOTUQLHXMZ-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219454;MM219454;CC1CC1N1CC1CN;ONRGXOZRZKNMOV-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219455;MM219455;N#CCC(=N)N(O)CC=O;FPCHKVAMQQGJKQ-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219456;MM219456;CC1CC1N1CC1CF;RANMRDYSEKKUHP-UHFFFAOYSA-N;129.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219457;MM219457;NC1CC1N1CC1CO;BUZYOSUNBTXDLJ-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219458;MM219458;C=CC1CC1C1CC1C;UTSCXTGLZOKSBU-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219459;MM219459;CC1CC1C1CC1C=O;MMQQBGLPPHIQKQ-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219460;MM219460;CC1CC1C1CC1C#N;IDZXDMJFCXDAQL-UHFFFAOYSA-N;121.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219461;MM219461;C=CC1CC1C1CC1N;KOLFIRAIKBDAFN-UHFFFAOYSA-N;123.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219462;MM219462;C=NN=C(C)N(O)CCF;WULIUWIYODBVDN-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219463;MM219463;C=CC1CC1C1OC1C;VEAQPMKGUVXTCR-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219464;MM219464;CC1OC1C1CC1C=O;SYQPOFXOVWGBGQ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219465;MM219465;CC1OC1C1CC1C#N;FWUHUHFRSYZTFH-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219466;MM219466;CC#CC(=NOC)N(C)O;BWBRHNCBYCVVOG-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219467;MM219467;CC1CC1C1NC1C#N;PZLVQJLDHINXOZ-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219468;MM219468;C=CC1NC1C1CC1N;LZEFNLYLBMTCJJ-UHFFFAOYSA-N;124.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219469;MM219469;CC1NC1C1NC1C#N;AQVGFEJDLKZOES-UHFFFAOYSA-N;123.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219470;MM219470;C=CC1NC1C1OC1C;NRYILOPRCCCCNZ-UHFFFAOYSA-N;125.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219471;MM219471;C=CC1OC1C1CC1C;UTOYHJLGZQHMLB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219472;MM219472;CC1CC1C1OC1C=O;VPYXGJVXHHOBMP-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219473;MM219473;CC1CC1C1OC1C#N;DZQVSGMFAQMLHU-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219474;MM219474;C=CC1OC1C1CC1N;HPAYEVKNIMKBMK-UHFFFAOYSA-N;125.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219475;MM219475;C=CC1OC1C1CC1O;VFVDUFQPVPOEEW-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219476;MM219476;C=CC1OC1C1CC1F;APFJDDPYJNHXRA-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219477;MM219477;C=CC1OC1C1OC1C;SKVJBPDUYOQAQJ-UHFFFAOYSA-N;126.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219478;MM219478;CC1OC1C1OC1C#N;UBZJEBWFFSQFNU-UHFFFAOYSA-N;125.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219479;MM219479;CN1CC1C1CC1C#N;YWTQIVPYCGOVPE-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219480;MM219480;CN1CC1C1NC1C#N;HSVUGRKDSJJRKV-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219481;MM219481;CC1CC1C1CN1C=N;XRRYEONPYGECKF-UHFFFAOYSA-N;124.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219482;MM219482;CC1CC1C1CN1C=O;YXOGSZIPVBMWLQ-UHFFFAOYSA-N;125.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219483;MM219483;N=CN1CC1C1CC1N;USAALBKPNVWUMV-UHFFFAOYSA-N;125.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219484;MM219484;NC1CC1C1CN1C=O;VQTHLXGLTNWKPI-UHFFFAOYSA-N;126.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219485;MM219485;N=CN1CC1C1CC1O;OZAUPHGTYGWZON-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219486;MM219486;O=CN1CC1C1CC1O;KSBGZJBPDDTPEN-UHFFFAOYSA-N;127.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219487;MM219487;N=CN1CC1C1CC1F;CIFGUTFRZSTQQX-UHFFFAOYSA-N;128.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219488;MM219488;O=CN1CC1C1CC1F;HWTOAYFLQCIALA-UHFFFAOYSA-N;129.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219489;MM219489;C=NN1CC1C1CC1C;SPGWCWGSUVAITJ-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219490;MM219490;C=NN1CC1C1CC1N;AJCYVSFRFWHITE-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219491;MM219491;C=NNC(C(N)=O)C(C)O;JUIUEGQHKLUJDD-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219492;MM219492;C=NN1CC1C1CC1F;OHUGEXVBFGPLLX-UHFFFAOYSA-N;128.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219493;MM219493;CC1NC1C1CN1C=N;BWESNKBEYSDUSU-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219494;MM219494;C=NN1CC1C1NC1C;VZYZXDSFFHZNAQ-UHFFFAOYSA-N;125.18;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219495;MM219495;CC1OC1C1CN1C=O;DVJZSRWYOGKDLD-UHFFFAOYSA-N;127.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219496;MM219496;C=NN1CC1C1OC1C;RKZIRUURQWCQON-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219497;MM219497;CN1CC1C1CN1C=N;FOSZWSZQZZXTKB-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219498;MM219498;CN1CC1C1CN1C=O;JINHLNTTXRLHEW-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219499;MM219499;C=NN1CC1C1CN1C;LBMSLHPGXUDUAM-UHFFFAOYSA-N;125.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219500;MM219500;CC1CN1C1CC1C#N;JYBQOOYOZHONLU-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219501;MM219501;C=CC1CN1C1CC1C;GBJKRIPYPBOEHO-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219502;MM219502;CCC(=O)C#CC(=N)NO;WAVNUTXONVUYSP-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219503;MM219503;C=CC1CN1C1CC1N;NFFMUPMKKLNERC-UHFFFAOYSA-N;124.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219504;MM219504;C#CC1CC1C1CC1C;QQQXQUREDGAOIG-UHFFFAOYSA-N;120.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219505;MM219505;C#CC1CC1C1CC1N;IDJMMERXPGGLMS-UHFFFAOYSA-N;121.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219506;MM219506;C#CC1CC1C1OC1C;APWOEVDOHCKZPV-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219507;MM219507;C#CC1NC1C1CC1C;WMBOQBBGSBWORW-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219508;MM219508;C#CC1NC1C1CC1N;GTDVWJPTUUXMMW-UHFFFAOYSA-N;122.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219509;MM219509;C#CC1NC1C1OC1C;WNZDVOUFNVXQSH-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219510;MM219510;C#CC1OC1C1CC1C;WUZZUXWGCIGVBL-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219511;MM219511;C#CC1OC1C1CC1N;IXBBBBKPFCAJIW-UHFFFAOYSA-N;123.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219512;MM219512;C#CC1NC1C1CN1C;TXTJQJXWYNCKAX-UHFFFAOYSA-N;122.17;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219513;MM219513;C#CC1CC1N1CC1C;PKLXLTZPTVQAFW-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219514;MM219514;C#CC1CN1C1CC1C;MCDHLGZLHJEWBJ-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219515;MM219515;CC1CC1C1C(C)C1C;OFQMWAIZRXOUMY-UHFFFAOYSA-N;124.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219516;MM219516;CC1C(C)C1C1CC1N;HYJKEQBOJTZAMM-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219517;MM219517;CCC(C#CC(N)=O)=NN;WKHHZSWNISMFCL-UHFFFAOYSA-N;139.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219518;MM219518;CC1C(C)C1C1CC1F;WJEZJPLKBCAHBA-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219519;MM219519;CC1CC1C1C(C)C1N;YRFXNEVOMKDMMT-UHFFFAOYSA-N;125.22;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219520;MM219520;CC1C(N)C1C1CC1N;VUSZVTUFZUQZKS-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219521;MM219521;CC1C(N)C1C1CC1O;YQQQHKYPXXKLLE-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219522;MM219522;CN=C(C#CC(C)=O)NO;SVEAKILBGHUOJP-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219523;MM219523;CC1C(O)C1C1CC1N;YUXPOBTUSLIELE-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219524;MM219524;CC1C(O)C1C1CC1O;ISCXMFADYJVKSH-UHFFFAOYSA-N;128.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219525;MM219525;CC1C(O)C1C1CC1F;URJWWWYMGQZIEM-UHFFFAOYSA-N;130.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219526;MM219526;CC1CC1C1C(C)C1F;WTIGZMKPVTZQLQ-UHFFFAOYSA-N;128.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219527;MM219527;CC1C(F)C1C1CC1N;NKDCFDRQOJBEAG-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219528;MM219528;CC1C(F)C1C1CC1O;GJVURFPKMZOJNO-UHFFFAOYSA-N;130.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219529;MM219529;CC1C(F)C1C1CC1F;UGCVPUKNPRJICX-UHFFFAOYSA-N;132.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219530;MM219530;CC1CC1C1C(N)C1N;CYOJLKAQJGEATD-UHFFFAOYSA-N;126.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219531;MM219531;NC1CC1C1C(N)C1N;POGGGLJSKLHEMS-UHFFFAOYSA-N;127.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219532;MM219532;NC1C(N)C1C1CC1O;BCTIZXXNINROKE-UHFFFAOYSA-N;128.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219533;MM219533;NC1C(N)C1C1CC1F;QJOGTJPAJAHSEA-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219534;MM219534;CC1CC1C1C(N)C1O;KEBJKNPHJSQDKH-UHFFFAOYSA-N;127.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219535;MM219535;NC1CC1C1C(N)C1O;CZAUEUMUBMXOMN-UHFFFAOYSA-N;128.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219536;MM219536;NC1C(O)C1C1CC1O;OSIGSMFUPKZHMT-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219537;MM219537;CC1CC1C1C(N)C1F;NPZNKRJEYVLZCA-UHFFFAOYSA-N;129.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219538;MM219538;NC1CC1C1C(N)C1F;AEFRROXETAHMGJ-UHFFFAOYSA-N;130.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219539;MM219539;CC1CC1C1C(O)C1O;WHHOPXWOXWRGNP-UHFFFAOYSA-N;128.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219540;MM219540;NC1CC1C1C(O)C1O;UGZPBSXWAYWHSZ-UHFFFAOYSA-N;129.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219541;MM219541;OC1CC1C1C(O)C1O;WKOLOOYRMJXLIH-UHFFFAOYSA-N;130.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219542;MM219542;OC1C(O)C1C1CC1F;MWXLRTNDJGDOKX-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219543;MM219543;CC1CC1C1C(O)C1F;PYVQKBZVZFZGFF-UHFFFAOYSA-N;130.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219544;MM219544;NC1CC1C1C(O)C1F;WTRYZMLCNJGTIY-UHFFFAOYSA-N;131.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219545;MM219545;OC1C(F)C1C1CC1F;IUGPDZCLIFCNBZ-UHFFFAOYSA-N;134.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219546;MM219546;NC1CC1C1C(F)C1F;JGZCASKAZSAAGP-UHFFFAOYSA-N;133.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219547;MM219547;CC1NC1C1C(C)C1N;QVXQSBCEAHDZNM-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219548;MM219548;CC1NC1C1C(N)C1N;CKBBXFMAAVIYPS-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219549;MM219549;CC1OC1C1C(C)C1C;GPXXGCXYKUFJGK-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219550;MM219550;CC1OC1C1C(C)C1N;CHKGZBGNLSMNCR-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219551;MM219551;CC1OC1C1C(C)C1O;IJTQVKDNSAMZDW-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219552;MM219552;CC1OC1C1C(C)C1F;KHYIBRDXRRHCAM-UHFFFAOYSA-N;130.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219553;MM219553;CC1OC1C1C(N)C1N;OBUQXBJZBIWDKS-UHFFFAOYSA-N;128.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219554;MM219554;CC1OC1C1C(N)C1O;SZMBMJUJZMUONM-UHFFFAOYSA-N;129.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219555;MM219555;CC1C(N)C1C1CN1C;JQKHELRWIASIPD-UHFFFAOYSA-N;126.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219556;MM219556;CN1CC1C1C(N)C1N;HXAQPVVAGFBMNO-UHFFFAOYSA-N;127.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219557;MM219557;CN1CC1C1C(N)C1O;MZPRBJPYCUHZAI-UHFFFAOYSA-N;128.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219558;MM219558;CN1CC1C1C(F)C1F;QGDSUTUKHBBBTC-UHFFFAOYSA-N;133.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219559;MM219559;CC1C(C2CC2N)N1C;CSXCFSKVHJMTPW-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219560;MM219560;CC1OC1C1C(C)N1C;BOUYLGVZYHWWHK-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219561;MM219561;CC1C(N)C1N1CC1C;YZDRLKYDZRPTFN-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219562;MM219562;CN(C=O)C(=O)C(N)CF;QSPABQCWMBVJIN-UHFFFAOYSA-N;148.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219563;MM219563;CC1C(F)C1N1CC1C;GKKXVQVFAOJFTE-UHFFFAOYSA-N;129.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219564;MM219564;CC1CN1C1C(N)C1N;DWBNSTKKNGJELH-UHFFFAOYSA-N;127.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219565;MM219565;CC1CN1C1C(N)C1O;OPIFWUMOFSZALZ-UHFFFAOYSA-N;128.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219566;MM219566;CC1C(C)N1C1CC1N;HMFHAECXPDZKBG-UHFFFAOYSA-N;126.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219567;MM219567;CCN(O)C(=N)C(=O)C=O;FVGYRBIMBYZCNK-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219568;MM219568;CC1C(C)N1C1CC1F;ZAPZDBMRODJDQX-UHFFFAOYSA-N;129.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219569;MM219569;NC1C2CC3(N)CC3C12;ZTJDCDZFSCGOJP-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219570;MM219570;OC12CC3C(F)C3C1C2;UFXROWCUHDSJFX-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219571;MM219571;FC1C2CC3(F)CC3C12;LQQXAFPCNVNHPH-UHFFFAOYSA-N;130.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219572;MM219572;CC1C2CC3(C)OC3C12;KSHWXEXTGSEDMG-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219573;MM219573;CC12CC3C(O)C3C1O2;MAXFFQOGYVQNJG-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219574;MM219574;CC12CC3C(F)C3C1O2;KQCAHXIRGFBISA-UHFFFAOYSA-N;128.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219575;MM219575;CN1C2CC3(C)CC3C21;SNEIUDQSPHGPIX-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219576;MM219576;CN1C2CC3(N)CC3C21;OUILASSJRSUUCW-UHFFFAOYSA-N;124.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219577;MM219577;CNC(=O)C(=N)N(N)C=O;XOKCYKGCKBMING-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219578;MM219578;CN1C2CC3(C)OC3C21;DZPIXDWVQRQVBI-UHFFFAOYSA-N;125.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219579;MM219579;CC1C2CC3(C)CC3N12;NROVNPNQLPANCR-UHFFFAOYSA-N;123.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219580;MM219580;CNN=CN(O)C=CC=O;KLAACCXEWLUKJQ-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219581;MM219581;NCC12CC3C(C1)C3C2;QODWCNDJGLSYKK-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219582;MM219582;COC12CC3C(C1)C3C2;RQSMJRFQKUMTHW-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219583;MM219583;CCC12CC3C(C1)C3O2;VFYLZQOCRMYIEM-UHFFFAOYSA-N;124.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219584;MM219584;NCC12CC3C(C1)C3O2;SWVRKTMLKYELHG-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219585;MM219585;COC12CC3C(C1)C3O2;JPLVZERZEFWSRH-UHFFFAOYSA-N;126.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219586;MM219586;CCC12CC3C(C1)N3C2;FFXHUTAFCNNLEZ-UHFFFAOYSA-N;123.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219587;MM219587;NCC12CC3C(C1)N3C2;LTEFEUQINQXWSX-UHFFFAOYSA-N;124.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219588;MM219588;COCCN(O)C(=N)C=O;GIYMLPFYWCSZJL-UHFFFAOYSA-N;146.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219589;MM219589;FCC12CC3C(C1)N3C2;CDFKGUVPJDZPQO-UHFFFAOYSA-N;127.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219590;MM219590;CNC12CC3C(C1)N3C2;JAODYCTVJHQHRZ-UHFFFAOYSA-N;124.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219591;MM219591;COC12CC3C(C1)N3C2;PXVKDEADEQQUFI-UHFFFAOYSA-N;125.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219592;MM219592;C=CC12CC3C(C1)C3C2;BZJPCBVAUAEPMG-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219593;MM219593;O=CC12CC3C(C1)C3C2;PDDLDSJNOGJIHM-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219594;MM219594;C=CC12CC3C(C1)C3O2;PYPFNMXJVLPXQA-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219595;MM219595;O=CC12CC3C(C1)C3O2;OREOLYBEOHZRLI-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219596;MM219596;C=CC12CC3C(C1)N3C2;GJRQOUVWNHGSLE-UHFFFAOYSA-N;121.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219597;MM219597;O=CC12CC3C(C1)N3C2;HQHQORNMIZQECV-UHFFFAOYSA-N;123.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219598;MM219598;CC1CC1CCC1CC1;UQSDQFLKNMBPEW-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219599;MM219599;CC=NNC(C)C(O)CC;MPIODTDSZMECDV-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219600;MM219600;CC1CC1CNC1CC1;LDTNXESEZQSETG-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219601;MM219601;CC1CC1COC1CC1;OQDUZOWVYHKBCS-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219602;MM219602;CC1CC1NCC1CC1;DBGWIJJYVWGZEZ-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219603;MM219603;NC1CC1NCC1CN1;CEWZNVUBODZQES-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219604;MM219604;CC1CC1CCC1CO1;KHXJPUBOZVXUGW-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219605;MM219605;C=CN(O)C=NN=CCC;YIMFOIJPVZXECS-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219606;MM219606;CC1CC1C=CC1CC1;HDTRJWLAMVSKIL-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219607;MM219607;NC1CC1C=CC1CC1;MZRUNJSIFWNNNZ-UHFFFAOYSA-N;123.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219608;MM219608;CC1CC1C=CC1CO1;XYCCSMPKYGLEAC-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219609;MM219609;CC1OC1C=CC1CC1;KWHWQFMXFBTKOK-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219610;MM219610;CC1CC1C=NN1CC1;WTGMSROLAMVSAP-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219611;MM219611;CN1CC1C=CC1CC1;KQBMNBIBYVPHIQ-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219612;MM219612;CN1CC1C=NN1CC1;IEWLXCQQQPLGQW-UHFFFAOYSA-N;125.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219613;MM219613;CC1CN1C=NC1CC1;PKVWDDBWSHHLLD-UHFFFAOYSA-N;124.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219614;MM219614;CC1CN1N=CC1CC1;JNYDNQLHLDLVAX-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219615;MM219615;CC1CN1N=CC1CN1;VGJNGOMULJHTMV-UHFFFAOYSA-N;125.18;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219616;MM219616;CC1CN1N=CC1CO1;KVPZIUJFAMIHGB-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219617;MM219617;CC1CC1C#CC1CC1;IMXIZEKUBGBVIO-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219618;MM219618;NC1CC1C#CC1CC1;JXCHGRNDUIRKHH-UHFFFAOYSA-N;121.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219619;MM219619;CC1CC1C#CC1CN1;YSSOGHYNBORTHR-UHFFFAOYSA-N;121.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219620;MM219620;CC1CC1C#CC1CO1;DXOPBRQAFCYGAE-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219621;MM219621;CC1NC1C#CC1CC1;SNQDTFHMZUNFHK-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219622;MM219622;CC1NC1C#CC1CN1;JMLUEBAFYSHESE-UHFFFAOYSA-N;122.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219623;MM219623;CC1NC1C#CC1CO1;ZQBPFGGTRKCOMD-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219624;MM219624;C(#CC1CC1)CC1CO1;INXDHEZOILCDRE-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219625;MM219625;C(#CC1CN1)CC1CO1;LBGCVGBRXPUSMC-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219626;MM219626;C(#CC1CC1)CN1CC1;FVGPGDDVQFDDTM-UHFFFAOYSA-N;121.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219627;MM219627;C(#CC1CN1)CN1CC1;MXFZQQSNBWKVCF-UHFFFAOYSA-N;122.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219628;MM219628;C=CN(O)C=NN=CC=O;IJIOHNYGNYMPJW-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219629;MM219629;FCC1CC1CC1CC1;MSDCFKFEMFFOCO-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219630;MM219630;CNC1CC1CC1CC1;VTBFJVHNBQMLFQ-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219631;MM219631;NCC1CC1NC1CC1;GZRXODSOCGVZAX-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219632;MM219632;NCC1CC1CC1CN1;QATGHMGYVFXRME-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219633;MM219633;CNC1CC1CC1CN1;OYODVESHBRGXHT-UHFFFAOYSA-N;126.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219634;MM219634;CCC1CC1CC1CO1;ZPKOIBRJDOKQGC-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219635;MM219635;NCC1CC1CC1CO1;SRELMBFWZMOBHC-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219636;MM219636;C#CC=NN=CN(O)C=C;UIHASXQZLHEAKB-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219637;MM219637;CNC1CC1CC1CO1;KWOWQNDVQKPPNJ-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219638;MM219638;OCC1OC1CC1CC1;JNKDYNJHIUACPE-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219639;MM219639;CNC1CC1CN1CC1;ORXMVIIZCCEHTK-UHFFFAOYSA-N;126.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219640;MM219640;CCN1CC1CN1CC1;CGBJGHLYBHDECF-UHFFFAOYSA-N;126.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219641;MM219641;C=CC1CC1CC1CC1;DLCZFESCMXJOEB-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219642;MM219642;N#CC1CC1CC1CC1;KGRCPLVDBGUMDF-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219643;MM219643;C=CC1CC1NC1CC1;ZADGLQZFTGTQOA-UHFFFAOYSA-N;123.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219644;MM219644;O=CC1CC1NC1CC1;GMMPQLSHPZIZGC-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219645;MM219645;O=CC1CC1OC1CC1;UHSTXFBUVFFXMY-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219646;MM219646;N#CC1CC1OC1CC1;VHBUKFRXNJLEPN-UHFFFAOYSA-N;123.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219647;MM219647;C=CC1CC1CC1CO1;RFQGGWHBVXXCOT-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219648;MM219648;O=CC1CC1CC1CO1;CBWVOEPAWWMZEW-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219649;MM219649;N#CC1CC1CC1CO1;HMHZJQSBTXBZGK-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219650;MM219650;C=CC(C#CC)N(O)C=N;VCGRDGVLOJWYJB-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219651;MM219651;N#CC1NC1CC1CC1;MKBLKUVVVZZKDI-UHFFFAOYSA-N;122.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219652;MM219652;CCN(O)C(CCO)=NN;YGHKSSNPMFGPRN-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219653;MM219653;NN=COC(C=NN)CO;NTVJTUMTGALSLA-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219654;MM219654;CNN=CC(CO)OC=O;VBZVMFMGMGJWGM-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219655;MM219655;COCON(C=N)C(N)=O;PVFNCPSJBIAMSR-UHFFFAOYSA-N;147.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219656;MM219656;N=CN1CC1CC1CC1;BYNRVRSZDYHRGO-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219657;MM219657;O=CN1CC1CC1CC1;UEVSAIKKTGYEBC-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219658;MM219658;C=NN1CC1CC1CC1;WYHKOOXOYVSVOY-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219659;MM219659;N=CN1CC1CC1CN1;QHWMKKCNCRKFAU-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219660;MM219660;O=CN1CC1CC1CO1;UFHOUHLJWPMWFE-UHFFFAOYSA-N;127.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219661;MM219661;C=NN1CC1CC1CO1;DYYVCMDMXQSVBL-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219662;MM219662;N=CN1CC1CN1CC1;DCNQNBQMAWMIDB-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219663;MM219663;O=CN1CC1CN1CC1;UIRGDYYYUVCUES-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219664;MM219664;C=NN1CC1CN1CC1;JKJMDSWZLHALBE-UHFFFAOYSA-N;125.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219665;MM219665;N#CC1CN1CC1CO1;OLXMUAKLLABIKX-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219666;MM219666;C#CC1CC1CC1CC1;SGSJJPLNGAVRAJ-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219667;MM219667;C#CC1CC1NC1CC1;WDUYYUZDIVQHPZ-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219668;MM219668;C#CC1CC1OC1CC1;HWXIIYPCUNCOMK-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219669;MM219669;C#CC1CC1CC1CO1;DKZHVWBYCAAUMF-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219670;MM219670;C#CC1NC1CC1CC1;SUMFEDVBCVFNGU-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219671;MM219671;C#CC1NC1CC1CO1;KVWUGPQENGOXMO-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219672;MM219672;C#CC1NC1CN1CC1;CIJUYIVNYLZVIZ-UHFFFAOYSA-N;122.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219673;MM219673;NC(CC1CC1)C1CC1;MKGHKOZARHHINL-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219674;MM219674;CC(CC1CC1)C1CO1;XRBMGUDBQKTWHE-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219675;MM219675;C=C(CC1CC1)C1CC1;NUPCDTKYPYLYFL-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219676;MM219676;N=C(CC1CC1)N1CC1;VYBMOUVCCNPLJT-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219677;MM219677;O=C(CC1CC1)N1CC1;OSZRNGOGJJLVCH-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219678;MM219678;N=C(NC1CC1)N1CC1;FEMXAFSUFIZVPI-UHFFFAOYSA-N;125.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219679;MM219679;N=C(CC1CN1)N1CC1;NHEJLWKFLBLPEE-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219680;MM219680;N=C(CC1CO1)N1CC1;WQJOMRDGBJIQHB-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219681;MM219681;O=C(CC1CO1)N1CC1;TZCPAXGLGDAYKF-UHFFFAOYSA-N;127.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219682;MM219682;N=C(CN1CC1)N1CC1;LSMBRIHKWHEGKN-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219683;MM219683;O=C(CN1CC1)N1CC1;WKFCYRUUCAZAQG-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219684;MM219684;N=C(NN1CC1)N1CC1;IQOGMTYXKAVFBT-UHFFFAOYSA-N;126.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219685;MM219685;CC(=CC1CC1)C1CC1;NXEXMWXKFGRNHJ-UHFFFAOYSA-N;122.21;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219686;MM219686;CC(=CC1CO1)C1CC1;LKLNCCAQUFHKLT-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219687;MM219687;CC(=NC1CC1)N1CC1;OUWLYJBNWQJTMA-UHFFFAOYSA-N;124.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219688;MM219688;CC(=NN1CC1)N1CC1;RTAAUFYQNJACHQ-UHFFFAOYSA-N;125.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219689;MM219689;NCC12CC3CC3C1C2;SDZKWNNSENUKQT-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219690;MM219690;N=c1ncn(O)cc1C=O;YMRYJCPMMSGZQE-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219691;MM219691;CNC12CC3CC3C1C2;NUHSPERKKSYJMC-UHFFFAOYSA-N;123.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219692;MM219692;COC12CC3CC3C1C2;SBZBFJAVJGGQAH-UHFFFAOYSA-N;124.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219693;MM219693;CCC12CC1C1CC1N2;KHKXONCCFXAANG-UHFFFAOYSA-N;123.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219694;MM219694;NCC12CC1C1CC1N2;RRMSYXWXOZAOLI-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219695;MM219695;CCC12CC1C1CC1O2;BNGZVCZQFGAGTI-UHFFFAOYSA-N;124.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219696;MM219696;CNC12CC3NC3C1C2;QYXREMNPACMIMR-UHFFFAOYSA-N;124.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219697;MM219697;CNC12CC3OC3C1C2;LTAZKWCGDILOSS-UHFFFAOYSA-N;125.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219698;MM219698;NCC12CC3CC3C1N2;UFIMCGNDXARGIY-UHFFFAOYSA-N;124.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219699;MM219699;N#CC(C=O)ON=CCF;AIHUGGOCQSKKDM-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219700;MM219700;NCC12CC3OC3C1N2;XOHSAFYDGFHJIF-UHFFFAOYSA-N;126.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219701;MM219701;CCC12CC3CC3C1O2;TVVHAMPFDVPPHV-UHFFFAOYSA-N;124.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219702;MM219702;NCC12CC3CC3C1O2;GXAALVROLFNXOL-UHFFFAOYSA-N;125.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219703;MM219703;OCC12CC3CC3C1O2;PNPNSBKKMQVWNB-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219704;MM219704;NCC12CC3NC3C1O2;BRJMMIJVPFSCED-UHFFFAOYSA-N;126.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219705;MM219705;C#CC(=NNCCO)NO;IFJLBBZDAZQXGI-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219706;MM219706;OCC12CC3OC3C1O2;YTJGXHOYPRATBP-UHFFFAOYSA-N;128.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219707;MM219707;CNC12CC1C1CN1C2;GJMUTZDMLUYMGF-UHFFFAOYSA-N;124.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219708;MM219708;NCC12CN3CC3C1N2;HQHQGIGPSRHJRK-UHFFFAOYSA-N;125.18;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219709;MM219709;CN=C(C=O)N(O)CCF;DQZCCFIMGCGDBI-UHFFFAOYSA-N;148.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219710;MM219710;CCC12CN3CC3C1O2;ACFHLECCVIAPLR-UHFFFAOYSA-N;125.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219711;MM219711;NCC12CN3CC3C1O2;RYEUONDBTZQTHA-UHFFFAOYSA-N;126.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219712;MM219712;CCC12CC3CN3C1C2;MAWABCQEMDOTOA-UHFFFAOYSA-N;123.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219713;MM219713;NCC12CC3CN3C1C2;BGJJVPYLPHTSGN-UHFFFAOYSA-N;124.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219714;MM219714;C=NN=C1CNC(CF)=N1;IQUGZDFCYDQBRZ-UHFFFAOYSA-N;142.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219715;MM219715;O=CC12CC3CC3C1C2;XMXYESKNATZXKY-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219716;MM219716;N#CC12CC3CC3C1C2;FEOBORBQFGJBRM-UHFFFAOYSA-N;119.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219717;MM219717;O=CC12CC3CC3C1N2;IMHSUFBJGOQXMB-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219718;MM219718;N#CC12CC3CC3C1N2;YZBUBVRXBBFNRH-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219719;MM219719;O=CC12CC3NC3C1N2;JXRRBMJOKAABOR-UHFFFAOYSA-N;124.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219720;MM219720;N#CC12CC3NC3C1N2;XMTHYSRMJQTSRE-UHFFFAOYSA-N;121.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219721;MM219721;C=CC12CC3CC3C1O2;FPOPWMYWRZBXDW-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219722;MM219722;O=CC12CC3CC3C1O2;ORVUGPQNKKHGEN-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219723;MM219723;N#CC12CC3CC3C1O2;SEZLWRZOPFCUHB-UHFFFAOYSA-N;121.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219724;MM219724;O=CC12CC3NC3C1O2;SLLDLAQFOQNUGP-UHFFFAOYSA-N;125.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219725;MM219725;N#CC12CC3NC3C1O2;CQYZKBDQNNEXCR-UHFFFAOYSA-N;122.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219726;MM219726;C=CC12CC3OC3C1O2;QYFUGNRYZNTHFN-UHFFFAOYSA-N;124.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219727;MM219727;O=CC12CC3OC3C1O2;FXTJMUWYAPYOIC-UHFFFAOYSA-N;126.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219728;MM219728;N#CC12CC3OC3C1O2;TZUDFRBNYONFDR-UHFFFAOYSA-N;123.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219729;MM219729;C=CC12CC3CN3C1C2;PFUSIAHJKSACFN-UHFFFAOYSA-N;121.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219730;MM219730;N#CC12CC3CN3C1C2;LMDVSYSQDCWGGL-UHFFFAOYSA-N;120.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219731;MM219731;C#CC12CC3CC3C1C2;MMLXLOWBLXPACG-UHFFFAOYSA-N;118.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219732;MM219732;C#CC12CC3CC3C1N2;SPJAWYNGMDEWDI-UHFFFAOYSA-N;119.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219733;MM219733;C#CC12CC3CC3C1O2;YAIBZMLJAISLKW-UHFFFAOYSA-N;120.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219734;MM219734;C#CC12CC3OC3C1O2;YTWBGDWYAORXLZ-UHFFFAOYSA-N;122.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219735;MM219735;CCC(C)C(C)C1CC1;DDXWHJYAWYSDMT-UHFFFAOYSA-N;126.24;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219736;MM219736;CC(CN)C(C)C1CC1;UUZZYSOYHWUWRR-UHFFFAOYSA-N;127.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219737;MM219737;CC(CF)C(C)C1CC1;HBJOIGGXJZOIFE-UHFFFAOYSA-N;130.21;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219738;MM219738;CCC(N)C(C)C1CC1;KUDYQKQWCQWCDX-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219739;MM219739;CC(C(N)CO)C1CC1;YTCVDLCIFAFXMJ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219740;MM219740;CC(C(N)CF)C1CC1;NSDXNFFVOWHPEE-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219741;MM219741;N=CNc1cc(CF)[nH]n1;ZTQHRUOTGAWQNM-UHFFFAOYSA-N;142.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219742;MM219742;CC(C(O)CN)C1CC1;DEZWDROEFIQRQF-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219743;MM219743;CCC(F)C(C)C1CC1;FYYCHPRLYWBFSB-UHFFFAOYSA-N;130.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219744;MM219744;CCC(C)C(N)C1CC1;LVRANEMWJDHMAX-UHFFFAOYSA-N;127.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219745;MM219745;CC(CF)C(N)C1CC1;ZNWRNRYCFRQNLR-UHFFFAOYSA-N;131.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219746;MM219746;CCC(N)C(N)C1CC1;NTZMSMDYOQQILF-UHFFFAOYSA-N;128.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219747;MM219747;CCC(O)C(N)C1CC1;GRKDLUYBJPSZDN-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219748;MM219748;NCC(O)C(N)C1CC1;HMFBNLUYGDLLBA-UHFFFAOYSA-N;130.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219749;MM219749;CC(CN)C(O)C1CC1;BXJGJFCJVRNVAQ-UHFFFAOYSA-N;129.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219750;MM219750;CCC(N)C(O)C1CC1;BTRJSZMMBOOCPE-UHFFFAOYSA-N;129.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219751;MM219751;CNC(C)C(C)C1CC1;AADNUMBQPCGCPW-UHFFFAOYSA-N;127.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219752;MM219752;CNC(C)C(N)C1CC1;PLBDKVFGQTZUGT-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219753;MM219753;COC(C)C(C)C1CC1;RLZHBXFJBMPRSB-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219754;MM219754;CC(CN)N(C)C1CC1;CJNQYMXCJLLYEA-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219755;MM219755;CC(CO)N(C)C1CC1;KJVIHPOLUHHQRX-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219756;MM219756;CC(CN)C(C)C1CN1;WIFRYBVFNWZBSG-UHFFFAOYSA-N;128.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219757;MM219757;CCC(N)C(C)C1CN1;OMNBHNBOHATNLV-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219758;MM219758;CCC(C)C(N)C1CN1;UCGWCLRIYVMBGG-UHFFFAOYSA-N;128.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219759;MM219759;CC(CN)C(N)C1CN1;SRTPPNRICJSSJS-UHFFFAOYSA-N;129.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219760;MM219760;CCC(N)C(N)C1CN1;JCQFWKQGPPJMPU-UHFFFAOYSA-N;129.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219761;MM219761;NC(CO)C(N)C1CN1;QOWWVLSBZLEMLP-UHFFFAOYSA-N;131.18;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219762;MM219762;NC(CF)C(N)C1CN1;ULLQPRLFMKTQOI-UHFFFAOYSA-N;133.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219763;MM219763;CCC(O)C(N)C1CN1;XCMAMJOTDNJYNC-UHFFFAOYSA-N;130.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219764;MM219764;CCC(F)C(N)C1CN1;VFYXWHAVFNBMHY-UHFFFAOYSA-N;132.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219765;MM219765;CNC(C)C(C)C1CN1;FEIPLUVLDCKQOA-UHFFFAOYSA-N;128.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219766;MM219766;CNC(C)C(N)C1CN1;JFDQKKKWDIZZGQ-UHFFFAOYSA-N;129.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219767;MM219767;CCC(C)C(C)C1CO1;XOWACRHRDXONER-UHFFFAOYSA-N;128.22;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219768;MM219768;CC(CN)C(C)C1CO1;FYWUBBLOHMEXAK-UHFFFAOYSA-N;129.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219769;MM219769;CCC(N)C(C)C1CO1;SGPPSDOPNRAKDF-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219770;MM219770;CC(C(N)CO)C1CO1;JRQZCJXFACJXMS-UHFFFAOYSA-N;131.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219771;MM219771;CC(C(N)CF)C1CO1;CLPJCQJWHJEAAP-UHFFFAOYSA-N;133.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219772;MM219772;CCC(O)C(C)C1CO1;ZJQHIAYVZIQRNG-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219773;MM219773;CCC(F)C(C)C1CO1;ZHIFXZLPSJJARR-UHFFFAOYSA-N;132.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219774;MM219774;CCC(C)C(N)C1CO1;CQVSFHZNAJGAEQ-UHFFFAOYSA-N;129.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219775;MM219775;CCC(N)C(N)C1CO1;KBEKCPNASUYWIG-UHFFFAOYSA-N;130.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219776;MM219776;CCC(C)C(O)C1CO1;YKYMMXIQDJJXCF-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219777;MM219777;CNC(C)C(C)C1CO1;BUOGZMULYCNXHA-UHFFFAOYSA-N;129.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219778;MM219778;CNC(C)C(N)C1CO1;JBZCTPMNTGEDDU-UHFFFAOYSA-N;130.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219779;MM219779;COC(C)C(C)C1CO1;TVPKTUYREIARNN-UHFFFAOYSA-N;130.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219780;MM219780;CC(CN)C(C)N1CC1;KILBOWRQUBNZIP-UHFFFAOYSA-N;128.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219781;MM219781;CCC(N)C(C)N1CC1;OLQNLJLRIZIDAH-UHFFFAOYSA-N;128.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219782;MM219782;CC(C(O)CN)N1CC1;UOPONYPIOKGIOY-UHFFFAOYSA-N;130.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219783;MM219783;CCC(O)C1NC1CC#N;NTBGWJKWHQHKES-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219784;MM219784;CCC(O)C1CN1CC#N;DHLXVPUHZUPVPZ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219785;MM219785;CCC(F)C(C)N1CC1;PANMFNBKSNEJIN-UHFFFAOYSA-N;131.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219786;MM219786;CNC(C)C(C)N1CC1;LZGYTILWGWPTOG-UHFFFAOYSA-N;128.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219787;MM219787;CC(C=O)C(C)C1CC1;ITQQNEBYOTZWGF-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219788;MM219788;CC(C#N)C(C)C1CC1;DRPJLFBBOHBDJU-UHFFFAOYSA-N;123.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219789;MM219789;C=CC(N)C(C)C1CC1;SRPUSBNYNZQZQY-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219790;MM219790;C=NN(CC)C1C(C)C1O;ZGHNKHBBGNPHMH-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219791;MM219791;CC(C(O)C#N)C1CC1;OTGLKXHAYYSAQY-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219792;MM219792;CC(C(F)C=O)C1CC1;VMKIVACGEMGJJP-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219793;MM219793;C=CC(F)C(N)C1CC1;UNCSUVNSUSRSMJ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219794;MM219794;CC(C#N)C(O)C1CC1;SQZASVVEWFMAJZ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219795;MM219795;C=CC(N)C(O)C1CC1;YBJSOSHBEQCBMS-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219796;MM219796;C=CC(O)C(O)C1CC1;HQWKZCSGFHYBTK-UHFFFAOYSA-N;128.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219797;MM219797;CC(C1CC1)N(C)C=N;TXLMFPHWFSWLMU-UHFFFAOYSA-N;126.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219798;MM219798;CC(C1CC1)N(C)C=O;CMRFPBGVGPEFCH-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219799;MM219799;CC(C1CC1)N(N)C=N;PNDFEPXCQNABBZ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219800;MM219800;CC(C1CC1)N(N)C=O;YPAQRZMLQIJSPA-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219801;MM219801;C=NN(C)C(C)C1CC1;WRGWPBQWYAKKCC-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219802;MM219802;C=CC(C)N(C)C1CC1;FEAZWRLGTDHYTD-UHFFFAOYSA-N;125.22;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219803;MM219803;CC(C#N)N(C)C1CC1;ZCHCNZJTWFQECV-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219804;MM219804;CN(C=N)N(C)C1CC1;XDQKMIRJVYQJNR-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219805;MM219805;CN(C=O)N(C)C1CC1;GMFRXRSPADITBP-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219806;MM219806;C=CC(N)C(C)C1CN1;LSMGTYMXTOMRIR-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219807;MM219807;C=CC(N)C(N)C1CN1;UXJPQYYNDXKWKR-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219808;MM219808;COC=NNC1C(C)C1O;HVXCLPQEYFDMIA-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219809;MM219809;C=CC(N)C(O)C1CN1;QOJNXDNUYYEPCD-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219810;MM219810;CC(C1CN1)N(C)C=N;CRCVAVKMQASWQA-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219811;MM219811;CC(C1CN1)N(N)C=N;QSWLDHQZEJUOHC-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219812;MM219812;CC(C#N)C(C)C1CO1;UFBLNLFQKIQLJF-UHFFFAOYSA-N;125.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219813;MM219813;C=CC(N)C(C)C1CO1;HREAQYIFINLXCR-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219814;MM219814;CC(C(O)C#N)C1CO1;ROYAURYEYXPYEN-UHFFFAOYSA-N;127.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219815;MM219815;CC(C(F)C#N)C1CO1;FCTLSQLVTSTXFP-UHFFFAOYSA-N;129.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219816;MM219816;C=CC(N)C(N)C1CO1;QPFRIFQXYXGTEA-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219817;MM219817;C=CC(N)C(O)C1CO1;YNUBVPLQYACSTA-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219818;MM219818;CC(C1CO1)N(C)C=O;PJPZGSJMKGHRPE-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219819;MM219819;CC(C1CO1)N(N)C=N;CFJBZENZQHKESY-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219820;MM219820;C=NN(C)C(C)C1CO1;JZYSUESGECIQRU-UHFFFAOYSA-N;128.18;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219821;MM219821;C#CC=NNC1C(C)C1O;QGPHLSRTNSBIRS-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219822;MM219822;CC(C#N)C(C)N1CC1;DITQYUSRRHZQQN-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219823;MM219823;C=CC(N)C(C)N1CC1;IFEWXQBFRCZDLL-UHFFFAOYSA-N;126.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219824;MM219824;OCC1CC=NO1;PHVFVPURCHVDBP-UHFFFAOYSA-N;101.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219825;MM219825;CC1=NOC(CO)C1;IULDMOIFJXPJQE-UHFFFAOYSA-N;115.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219826;MM219826;C=CC(F)C(C)N1CC1;OCXJUJRMJFQUKI-UHFFFAOYSA-N;129.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219827;MM219827;CC(C(F)C#N)N1CC1;VIIXMOTTYYDNNB-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219828;MM219828;C#CC(C)C(C)C1CC1;SFAYYJQAFXWICU-UHFFFAOYSA-N;122.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219829;MM219829;C#CC(N)C(C)C1CC1;CJMUAGMIZLGTFU-UHFFFAOYSA-N;123.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219830;MM219830;C#CC(O)C(C)C1CC1;MLSLQZVBYUCYQS-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219831;MM219831;C#CC(F)C(C)C1CC1;RJFVWGVOETWKKI-UHFFFAOYSA-N;126.17;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219832;MM219832;C#CC(N)C(N)C1CC1;PYXICPUQBFPDTH-UHFFFAOYSA-N;124.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219833;MM219833;C#CC(O)C(N)C1CC1;AXIBVAKBVKCSDV-UHFFFAOYSA-N;125.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219834;MM219834;C#CC(F)C(N)C1CC1;LBJZIEHFXQCHHP-UHFFFAOYSA-N;127.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219835;MM219835;C#CC(C)N(C)C1CC1;GKVCIBKFOOBEJP-UHFFFAOYSA-N;123.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219836;MM219836;C#CC(N)C(C)C1CN1;PVGBFUYDXAKRRA-UHFFFAOYSA-N;124.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219837;MM219837;C#CC(N)C(N)C1CN1;FLAHOBWTSDRBQN-UHFFFAOYSA-N;125.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219838;MM219838;C#CC(C)C(C)C1CO1;QKZZFIQXMSYIOV-UHFFFAOYSA-N;124.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219839;MM219839;C#CC(N)C(C)C1CO1;MSZNIBNJMDOURM-UHFFFAOYSA-N;125.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219840;MM219840;C#CC(O)C(C)C1CO1;WVHSIEYHGSTLQS-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219841;MM219841;C#CC(F)C(C)C1CO1;ZMKAPRFCBMPPOM-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219842;MM219842;C#CC(N)C(N)C1CO1;WJIHGBVCOKATJP-UHFFFAOYSA-N;126.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219843;MM219843;C#CC(O)C(N)C1CO1;VNFVHQOHTVVJGP-UHFFFAOYSA-N;127.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219844;MM219844;C#CC(N)C(C)N1CC1;XEJBDPBFVPGOLY-UHFFFAOYSA-N;124.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219845;MM219845;N=C1C(=O)CCN1O;OYHZDARKGDNHFT-UHFFFAOYSA-N;114.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219846;MM219846;C#CC(F)C(C)N1CC1;HBIQHQYQORYQIM-UHFFFAOYSA-N;127.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219847;MM219847;C=C(CC)C(C)C1CC1;OOORTNPPZGNATQ-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219848;MM219848;C=C(CN)C(C)C1CC1;MYLXPDDHXKGENX-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219849;MM219849;CCC(O)C1CN1C;RBTJWBSZJYADJH-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219850;MM219850;C=C(CF)C(C)C1CC1;OPYOKNALQLLRRT-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219851;MM219851;CCC(=O)C(C)C1CC1;QULVEBPUMQZRJV-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219852;MM219852;CC(C(=O)CO)C1CC1;NNANHSLIMVYEEH-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219853;MM219853;CC(C(=O)CF)C1CC1;YEPDJYOETLNRNA-UHFFFAOYSA-N;130.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219854;MM219854;C=C(CC)C(N)C1CC1;VLJUUDINRVEKAB-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219855;MM219855;C=C(CN)C(N)C1CC1;BTPGJMPURBVQAW-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219856;MM219856;C=C(CO)C(N)C1CC1;VSDWLRKYDHOFEZ-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219857;MM219857;C=C(CF)C(N)C1CC1;LPBMOIRMSVZVIZ-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219858;MM219858;C=C(CF)C(O)C1CC1;QPSKJTKTZJRRTM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219859;MM219859;CNC(=N)C(C)C1CC1;ZRSZJFNSNUXEPF-UHFFFAOYSA-N;126.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219860;MM219860;CC(C(=N)NN)C1CC1;IXBCRJVDJJKWBC-UHFFFAOYSA-N;127.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219861;MM219861;CC(C(=N)NO)C1CC1;AVDQSKPVVNUFNG-UHFFFAOYSA-N;128.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219862;MM219862;CN(N)C(=O)C1CO1;OSTFTTUCPKEYPD-UHFFFAOYSA-N;116.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219863;MM219863;CC(C(=O)NO)C1CC1;WZZNOIXWZHBELP-UHFFFAOYSA-N;129.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219864;MM219864;C=C(OC)C(C)C1CC1;INHLFUNFELFFHK-UHFFFAOYSA-N;126.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219865;MM219865;COC(=O)C(O)C1CC1;GZILGVPTLJAVCB-UHFFFAOYSA-N;130.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219866;MM219866;CCC(=N)N(C)C1CC1;DLWSIWYFNNGFJU-UHFFFAOYSA-N;126.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219867;MM219867;CN(C(=N)CN)C1CC1;BYBMQBQAKYGKGQ-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219868;MM219868;CCC(=O)N(C)C1CC1;DUGVGMFNYPMNKQ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219869;MM219869;CCC(=O)N(N)C1CC1;GTTJGSOKVJORIU-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219870;MM219870;CNC(=O)N(C)C1CC1;OFEKNNSEMZDRQQ-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219871;MM219871;NC(=O)N(N)CC(F)F;AOWTWUFDCWINLW-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219872;MM219872;CN(C(=O)NO)C1CC1;XVFBZDOMLWMPHZ-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219873;MM219873;CNC(=N)N(N)C1CC1;LAMCAOHPIGIBFV-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219874;MM219874;N=C(NO)N(N)C1CC1;IPMNGLHNLFDQBT-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219875;MM219875;COC(=N)N(C)C1CC1;RHDIIBDCHIDCPR-UHFFFAOYSA-N;128.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219876;MM219876;C=C(CC)C(N)C1CN1;HMQDUTRWRUJLLZ-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219877;MM219877;C=C(CN)C(N)C1CN1;YOPQIZABGBZADU-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219878;MM219878;C=C(CO)C(N)C1CN1;XODHQMPHHFDCLT-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219879;MM219879;C=C(CF)C(N)C1CN1;JSUCOGPYGDPWLL-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219880;MM219880;CNC(=N)C(C)C1CN1;HEPSEFXBSZJLQY-UHFFFAOYSA-N;127.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219881;MM219881;CC(C(=N)NN)C1CN1;XOXTZYDZMLVYEI-UHFFFAOYSA-N;128.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219882;MM219882;CC(C(=N)NO)C1CN1;SPWPXKBIYAZBDS-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219883;MM219883;CNC(=N)C(N)C1CN1;NAPQVTRDIBWDDK-UHFFFAOYSA-N;128.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219884;MM219884;CCN(O)C(=N)C(C)=O;FOCPSRKRMVLKNR-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219885;MM219885;C=C(CC)C(C)C1CO1;LUCZRWHDICBTOJ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219886;MM219886;C=C(CO)C(N)C1CO1;UASORASGNZZNEY-UHFFFAOYSA-N;129.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219887;MM219887;CNC(=N)C(C)C1CO1;YKOYNMVBOUOCBG-UHFFFAOYSA-N;128.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219888;MM219888;CC(C(=N)NN)C1CO1;JHQFJNUMBPBTBZ-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219889;MM219889;CC(C(=N)NO)C1CO1;UNYRHGURKZBTQN-UHFFFAOYSA-N;130.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219890;MM219890;CC(C(=O)NO)C1CO1;OSRQCUCYOSWBDD-UHFFFAOYSA-N;131.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219891;MM219891;C=C(CN)C(C)N1CC1;WFNMYQHUTCRTMD-UHFFFAOYSA-N;126.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219892;MM219892;CN(O)C(=N)C#CC=O;ZTQLZYVPAKWKNY-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219893;MM219893;C=C(CF)C(C)N1CC1;XNJZSKCCUHLXCB-UHFFFAOYSA-N;129.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219894;MM219894;C=CN(O)C=NNCC;XQWKZSXSBORLJG-UHFFFAOYSA-N;129.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219895;MM219895;N=C(CF)N(O)CCF;NMIDPDYHVFCOQB-UHFFFAOYSA-N;138.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219896;MM219896;CNC(=N)C(C)N1CC1;VXODNSKRWURULX-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219897;MM219897;CC(C(=N)NO)N1CC1;BLONLUFZKFDVPP-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219898;MM219898;CN=CN1C=NC(=N)C1;DFGHNVDJLDJAET-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219899;MM219899;C#CCC(O)CN1CC1;ROWAJKMMFDBKPR-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219900;MM219900;CC(C(=O)NO)N1CC1;HMPQEDZSIPVSKR-UHFFFAOYSA-N;130.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219901;MM219901;C=C(OC)C(C)N1CC1;OEYMNFXVYDLQHO-UHFFFAOYSA-N;127.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219902;MM219902;COC(=O)C(C)N1CC1;KZONSXSZCAIFAQ-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219903;MM219903;CCC(=N)N(C)N1CC1;QUZQWVBBYHTCCK-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219904;MM219904;CN(C(=N)CN)N1CC1;IHVCXNCNESRZGD-UHFFFAOYSA-N;128.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219905;MM219905;CN(C(=N)CO)N1CC1;FGPMFUZSWYRUSR-UHFFFAOYSA-N;129.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219906;MM219906;CNC(=N)N(C)N1CC1;GRLJJWAVMFBWQK-UHFFFAOYSA-N;128.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219907;MM219907;CN(C(=N)NN)N1CC1;LVQJIBKKATVJFJ-UHFFFAOYSA-N;129.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219908;MM219908;CN(C(=N)NO)N1CC1;UKKSFQHSGVUDIY-UHFFFAOYSA-N;130.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219909;MM219909;C=CC(=C)C(C)C1CC1;LWOYPFHJSRABMO-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219910;MM219910;C=C(C=O)C(C)C1CC1;SWYOOOFBZVQPGL-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219911;MM219911;C=C(C#N)C(C)C1CC1;VRCTXVVLFISAHU-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219912;MM219912;C=CC(=O)C(C)C1CC1;NZKDWRZDVUVJMH-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219913;MM219913;CC(C(=O)C#N)C1CC1;FCHZGUJFVDGKHH-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219914;MM219914;C=CC(=C)C(N)C1CC1;DDVJNHGFLHONKH-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219915;MM219915;CC1C(=NN)N=CN1O;JJWZUPGAUCUGDR-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219916;MM219916;N#CC(=O)C(O)C1CC1;ZPHXLPGFTRDALS-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219917;MM219917;C=C(C#N)C(F)C1CC1;DPBVDXLFSMJTKV-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219918;MM219918;CN(C(=N)C#N)C1CC1;RZHDDLUZLOWJJO-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219919;MM219919;C=CC(=O)N(C)C1CC1;JNYZKSPFBCDSCW-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219920;MM219920;CN(C(=O)C#N)C1CC1;MRKAWDHIKSESAA-UHFFFAOYSA-N;124.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219921;MM219921;Nn1c(F)ccc1CO;BTEHUNGIQHIRBX-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219922;MM219922;C=CC(=C)C(N)C1CN1;MXKTWWGYARACKL-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219923;MM219923;C=CC(=C)C(C)C1CO1;OKVONTYSHGQDFJ-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219924;MM219924;C=C(C=O)C(C)C1CO1;CGBDVZQZZCRWOC-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219925;MM219925;C=C(C#N)C(C)C1CO1;HOYMQNVLYWHVKP-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219926;MM219926;CC(C(=O)C=O)C1CO1;CVNTWLZFWOASGI-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219927;MM219927;C=C(C#N)C(C)N1CC1;NQVMSOIGHKXIQE-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219928;MM219928;C=CC(=O)C(C)N1CC1;MEPMJKSUJVKSIF-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219929;MM219929;Cn1ncc(CO)c1N;KHNFBMNDDXEIDO-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219930;MM219930;CCC1=NOC(CO)C1;QJBMAARIDURDFB-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219931;MM219931;C=CC(=N)N(C)N1CC1;UAWVELSTWLHSSY-UHFFFAOYSA-N;125.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219932;MM219932;CN(C(=N)C#N)N1CC1;CERYAUBUWPPZQN-UHFFFAOYSA-N;124.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219933;MM219933;C=CC(=O)N(C)N1CC1;UYCBFNQMZPOMOD-UHFFFAOYSA-N;126.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219934;MM219934;CN(C(=O)C=O)N1CC1;JEDXIKAFVIMSEB-UHFFFAOYSA-N;128.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219935;MM219935;CN(C(=O)C#N)N1CC1;GMNMMKDHCCTKJM-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219936;MM219936;C#CC(=C)C(C)C1CC1;AYUOCFMHJFUOTR-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219937;MM219937;C#CC(=O)C(C)C1CC1;YWHQXYQZHUQREU-UHFFFAOYSA-N;122.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219938;MM219938;C#CC(=C)C(N)C1CC1;QZJGNCCTUGTRBD-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219939;MM219939;C#CC(=O)N(C)C1CC1;XMJSLMBLPDDUPZ-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219940;MM219940;C#CC(=C)C(N)C1CN1;VFKVKXYQKBXBIB-UHFFFAOYSA-N;122.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219941;MM219941;C#CC(=C)C(C)C1CO1;JHYJRHOIMFWWHT-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219942;MM219942;C#CC(=O)C(C)C1CO1;YXCVFKUYGYPGRG-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219943;MM219943;C#CC(=C)C(O)C1CO1;WIONUONJLFNZNQ-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219944;MM219944;OCC1CC(CF)=NO1;DTLKEWGIQBNMDV-UHFFFAOYSA-N;133.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219945;MM219945;C#CC(=N)N(C)N1CC1;RZRMVADSRVIAAG-UHFFFAOYSA-N;123.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219946;MM219946;C#CC(=O)N(C)N1CC1;YPFLYARKBFNSAB-UHFFFAOYSA-N;124.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219947;MM219947;C=C(C(C)CC)C1CC1;JYPHBUNMJLQVHT-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219948;MM219948;C=C(C(C)CN)C1CC1;MATGLUQXPLCESB-UHFFFAOYSA-N;125.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219949;MM219949;C=CC1=NOC(CO)C1;YCKRHYCXSZONTB-UHFFFAOYSA-N;127.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219950;MM219950;C=C(C(C)CF)C1CC1;FVUFOBKRPYERNL-UHFFFAOYSA-N;128.19;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219951;MM219951;C=C(C(N)CC)C1CC1;BPIZJNBRLKOBGX-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219952;MM219952;C=C(C(N)CN)C1CC1;UHQIQGBOQKHPHB-UHFFFAOYSA-N;126.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219953;MM219953;C=C(C(N)CO)C1CC1;STQAWTGWCKPLAY-UHFFFAOYSA-N;127.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219954;MM219954;C#CC1=NOC(CO)C1;ILELNWSEUWBZIY-UHFFFAOYSA-N;125.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219955;MM219955;C=C(C(F)CC)C1CC1;BOZDWUAXDMDAQS-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219956;MM219956;C=C(C(F)CN)C1CC1;QJPDNBAPLGXEJY-UHFFFAOYSA-N;129.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219957;MM219957;C=C(C(F)CF)C1CC1;AHJICCDPOKDBLN-UHFFFAOYSA-N;132.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219958;MM219958;CCC(C)C(=O)C1CC1;HCABUYANEXGXEN-UHFFFAOYSA-N;126.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219959;MM219959;C=C(C1CC1)C(C)NC;VGUGEEFSULZILM-UHFFFAOYSA-N;125.22;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219960;MM219960;CNC(C)C(=O)C1CC1;KOSOFINABQFQAG-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219961;MM219961;C=C(C1CC1)C(C)OC;SMKWQZQPKGUBMC-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219962;MM219962;CCN(C)C(=N)C1CC1;YVRUFRQCEXVGBL-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219963;MM219963;CCN(N)C(=N)C1CC1;VMOMBZJLZLMHFA-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219964;MM219964;CCN(O)C(=N)C1CC1;DUDPIAJDXSUNGF-UHFFFAOYSA-N;128.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219965;MM219965;CCN(C)C(=O)C1CC1;XCOQEKIWCKJPJS-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219966;MM219966;CCN(N)C(=O)C1CC1;QLIUJMXAWONDJZ-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219967;MM219967;CNN(C)C(=N)C1CC1;VQCMBKHRJHBXCZ-UHFFFAOYSA-N;127.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219968;MM219968;CNN(C)C(=O)C1CC1;KOKFAUSUBBGDMY-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219969;MM219969;CON(C)C(=O)C1CC1;IQYRPZAMBNATNQ-UHFFFAOYSA-N;129.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219970;MM219970;C=C(C(C)CN)C1CN1;JFNYYTQXRMLOLA-UHFFFAOYSA-N;126.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219971;MM219971;C=C(C(N)CC)C1CN1;LRHCRQXSQKZHNU-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219972;MM219972;C=C(C(N)CN)C1CN1;VHQPCIHSUPKRNU-UHFFFAOYSA-N;127.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219973;MM219973;C=C(C(N)CO)C1CN1;YUZSSVNBMDFLCA-UHFFFAOYSA-N;128.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219974;MM219974;C=C(C(F)CN)C1CN1;DCMDXKJIJQOSGS-UHFFFAOYSA-N;130.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219975;MM219975;C=CN(O)C=NN1CC1;LWBSWAPHYNKANO-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219976;MM219976;C=C(C(C)NC)C1CN1;PTCPODMQGMKBTB-UHFFFAOYSA-N;126.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219977;MM219977;CCN(C)C(=N)C1CN1;UQJIPLPMJIYJJC-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219978;MM219978;CCN(N)C(=N)C1CN1;QYIRXJXWXJZOHD-UHFFFAOYSA-N;128.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219979;MM219979;CCN(C)C(=O)C1CN1;OMBUJHWDNDYFQE-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219980;MM219980;C#CC(C)NC(=O)N(C)N;WSFHGTFFBRHOCE-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219981;MM219981;CNN(C)C(=N)C1CN1;LUVHOTHTEWBBOC-UHFFFAOYSA-N;128.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219982;MM219982;CC1(O)CNC(=CC#N)C1;MMBAFRRWMJKTPP-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219983;MM219983;C=C(C#CC(N)=O)C=NN;JYDYEUXEHPPIKB-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219984;MM219984;C=C(C(C)CC)C1CO1;CFOCKLKXPNDGPQ-UHFFFAOYSA-N;126.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219985;MM219985;C=C(C(C)CN)C1CO1;OQZOXCOLOMOQGX-UHFFFAOYSA-N;127.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219986;MM219986;C=C(C(N)CC)C1CO1;GAEOEEIBLZPXDO-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219987;MM219987;C=C(C(N)CN)C1CO1;FOQJFIHCZMZCAN-UHFFFAOYSA-N;128.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219988;MM219988;C=C(C(O)CC)C1CO1;PHQNBVLZGYRWLI-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219989;MM219989;C=C(C(F)CC)C1CO1;CRKYZAHFXIFMPU-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219990;MM219990;CCC(C)C(=O)C1CO1;KVSVXXDZOPVGSJ-UHFFFAOYSA-N;128.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219991;MM219991;CCN(N)C(=N)C1CO1;WGSVWEGBLPWQBX-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219992;MM219992;CCN(C)C(=O)C1CO1;XGKJMZSYAHGEKH-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219993;MM219993;CC(=O)C#CC(=N)N(C)O;VRWZJBGBHHXNFO-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219994;MM219994;CNN(C)C(=N)C1CO1;FUBULBRGQKGRSN-UHFFFAOYSA-N;129.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219995;MM219995;CC(O)C=NOCCCO;FDPUZUHFXFSEAD-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219996;MM219996;CON(C)C(=O)C1CO1;XMDOHCMPPWNAIT-UHFFFAOYSA-N;131.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219997;MM219997;CCC(C)C(=N)N1CC1;DEXAUANRDQLSFB-UHFFFAOYSA-N;126.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219998;MM219998;CC(CN)C(=N)N1CC1;RVADKXBZKNDJRP-UHFFFAOYSA-N;127.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM219999;MM219999;CCC(N)C(=N)N1CC1;PXLHTXYJRNJGKG-UHFFFAOYSA-N;127.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220000;MM220000;CCC(O)C(=N)N1CC1;LNZHACKTQOHAES-UHFFFAOYSA-N;128.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220001;MM220001;N=C(C(O)CO)N1CC1;RHHHNYXUMVNKJI-UHFFFAOYSA-N;130.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220002;MM220002;CCC(C)C(=O)N1CC1;DXNTTZBJEZSVOF-UHFFFAOYSA-N;127.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220003;MM220003;CC(CN)C(=O)N1CC1;PKYFMZIVFCGAQI-UHFFFAOYSA-N;128.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220004;MM220004;CCC(N)C(=O)N1CC1;RIABOWVSLRMNLR-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220005;MM220005;CNC(C)C(=N)N1CC1;FPCXVLGPUZVPHO-UHFFFAOYSA-N;127.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220006;MM220006;CNC(C)C(=O)N1CC1;SXZWMZIYWRZWJL-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220007;MM220007;COC(C)C(=O)N1CC1;FVZLWGXZFKCAIF-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220008;MM220008;CCN(C)C(=N)N1CC1;PQLUWZZTBKCLQT-UHFFFAOYSA-N;127.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220009;MM220009;CCN(N)C(=N)N1CC1;DNCXLQQEXUNCIW-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220010;MM220010;CCN(O)C(=N)N1CC1;QNDCDPYWMRNBEW-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220011;MM220011;CCN(C)C(=O)N1CC1;NIBVTRISKSIZKZ-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220012;MM220012;CCN(N)C(=O)N1CC1;NHLZPTQDUGTTGH-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220013;MM220013;CCN(O)C(=O)N1CC1;FJZXCHSDLHRNFN-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220014;MM220014;CNN(C)C(=N)N1CC1;QEOMJJCYCZWAEM-UHFFFAOYSA-N;128.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220015;MM220015;CNN(C)C(=O)N1CC1;BOEOFIUBQSJAMG-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220016;MM220016;CON(C)C(=N)N1CC1;NLGIOPXNTQPOHO-UHFFFAOYSA-N;129.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220017;MM220017;CON(C)C(=O)N1CC1;FIPYBRDABLXPNU-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220018;MM220018;C=CC(C)C(=C)C1CC1;DVJHFOYLFFVPAE-UHFFFAOYSA-N;122.21;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220019;MM220019;C=C(C(C)C=O)C1CC1;YFSFHFFRRWCBJF-UHFFFAOYSA-N;124.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220020;MM220020;C=C(C(C)C#N)C1CC1;CNCAREARZJEKQD-UHFFFAOYSA-N;121.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220021;MM220021;C=CC(N)C(=C)C1CC1;BWOHXPIFTLQFJZ-UHFFFAOYSA-N;123.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220022;MM220022;C=NOCCC#CC(N)=O;BNVCPWQLBKKBAK-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220023;MM220023;C=C(C(O)C=O)C1CC1;UGURCVHWUOWOEK-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220024;MM220024;C=C(C(O)C#N)C1CC1;IKTLYERVWVECCG-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220025;MM220025;C=CC(F)C(=C)C1CC1;GMADBLGYLPMZBX-UHFFFAOYSA-N;126.17;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220026;MM220026;C=C(C(F)C=O)C1CC1;HNBJMBMGCFZZNV-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220027;MM220027;C=C(C(F)C#N)C1CC1;OVXJSXDZUJYUBX-UHFFFAOYSA-N;125.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220028;MM220028;CC(C#N)C(=O)C1CC1;DVMXCJPNJWRQDC-UHFFFAOYSA-N;123.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220029;MM220029;C=C(C1CC1)N(C)C=N;PPRPQFQRBPHGDR-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220030;MM220030;C=C(C1CC1)N(C)C=O;BXJTUEXMGMOZGZ-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220031;MM220031;C=C(C1CC1)N(N)C=N;BSUXXJCTDPVSAA-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220032;MM220032;C=C(C1CC1)N(N)C=O;PIHJMGCIEOWJQA-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220033;MM220033;C=C(C1CC1)N(O)C=N;OUZWXDLOIWBQAW-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220034;MM220034;C=C(C1CC1)N(O)C=O;BEVBTGRKNMQCNP-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220035;MM220035;C=CN(C)C(=N)C1CC1;LAYZUOPVTMFSRU-UHFFFAOYSA-N;124.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220036;MM220036;CN(C=N)C(=N)C1CC1;QGOXKPUAOKOMDB-UHFFFAOYSA-N;125.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220037;MM220037;CN(C=O)C(=N)C1CC1;KXBLCEBUJUJLDN-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220038;MM220038;C=CN(N)C(=N)C1CC1;ROCACLOGISZALY-UHFFFAOYSA-N;125.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220039;MM220039;N=CN(N)C(=N)C1CC1;PVIVWINOFFLPON-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220040;MM220040;N=C(C1CC1)N(N)C=O;NIQPHRQEVLDJJE-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220041;MM220041;C=CN(O)C(=N)C1CC1;STQUWYKLYGFXKV-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220042;MM220042;C=CN(C)C(=O)C1CC1;OQVQZGUCXNROGR-UHFFFAOYSA-N;125.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220043;MM220043;CN(C=N)C(=O)C1CC1;QVEJKEVEZUJWDV-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220044;MM220044;C=CN(N)C(=O)C1CC1;FQEOFBATFJVYKE-UHFFFAOYSA-N;126.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220045;MM220045;N=CN(N)C(=O)C1CC1;FGEIPPVYBKLROA-UHFFFAOYSA-N;127.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220046;MM220046;C=CN(O)C(=O)C1CC1;NWVHGGKZCXDIKO-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220047;MM220047;C=NN(C)C(=O)C1CC1;FOTNMWFGOCRALV-UHFFFAOYSA-N;126.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220048;MM220048;C=C(C(C)C#N)C1CN1;DPMCGTVVAKTGGC-UHFFFAOYSA-N;122.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220049;MM220049;C=CC(N)C(=C)C1CN1;ROEXWQYYXRCVHZ-UHFFFAOYSA-N;124.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220050;MM220050;C#CCC=CN(O)C=NN;JLTKMFFUBQFIAI-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220051;MM220051;C=NN(C=O)C(=C)C(C)O;IQTIRPUFRNIHJN-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220052;MM220052;C=C(C1CN1)N(C)C=N;LVKAVAIXZXKCSB-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220053;MM220053;C=C(C1CN1)N(C)C=O;HMBIXYAETDTSEJ-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220054;MM220054;C=C(C1CN1)N(N)C=N;QYOHTHWJGFJOPC-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220055;MM220055;C=C(C1CN1)N(N)C=O;GLBTUPKHMUTDJL-UHFFFAOYSA-N;127.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220056;MM220056;C=C(C1CN1)N(O)C=O;JPKQNJHVNOCSSP-UHFFFAOYSA-N;128.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220057;MM220057;C=CN(C)C(=N)C1CN1;IYHCXXVEKRVTBQ-UHFFFAOYSA-N;125.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220058;MM220058;CN(C=N)C(=N)C1CN1;NIMWPMZTVBWZKK-UHFFFAOYSA-N;126.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220059;MM220059;C=CN(N)C(=N)C1CN1;YMHFJGGERDCIMG-UHFFFAOYSA-N;126.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220060;MM220060;N=C(C1CN1)N(N)C=O;VSTJCJUHHOGRFB-UHFFFAOYSA-N;128.14;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220061;MM220061;CC(C)C(O)C=CC=NN;ZXNBFMOUXMBARL-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220062;MM220062;CC(=O)N(N=CN)C(N)=O;HCBMNDNFEHXVNT-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220063;MM220063;Nc1nc(=O)c(=O)cc[nH]1;NKMCFHUSOUCBPB-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220064;MM220064;C=CN(O)C=NN(C)C=N;YKDJNZUPTGLQFR-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220065;MM220065;CN(O)C=NC(C=O)CO;XHQAFPBXEZFWSO-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220066;MM220066;C=CN(O)C(=O)C1CN1;RIVQZPSVFDIHMF-UHFFFAOYSA-N;128.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220067;MM220067;C=NN(C)C(=N)C1CN1;JADLDEOHERWFKB-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220068;MM220068;C=C(F)C#CC(=NC)NO;DNVIOZHOUPJZAP-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220069;MM220069;C=CC(C)C(=C)C1CO1;JZUSOWIICSMOFT-UHFFFAOYSA-N;124.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220070;MM220070;C=C(C(C)C=O)C1CO1;YTOZFJWAITXDPK-UHFFFAOYSA-N;126.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220071;MM220071;C=C(C(C)C#N)C1CO1;ILYSGWPZEUFCRN-UHFFFAOYSA-N;123.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220072;MM220072;C=CC(N)C(=C)C1CO1;GCUFQDXINSIXIA-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220073;MM220073;C=C(C(O)C#N)C1CO1;PLFOKKJUJLHISF-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220074;MM220074;C=CC(F)C(=C)C1CO1;BVXVMWVKBRBWMS-UHFFFAOYSA-N;128.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220075;MM220075;C=C(C1CO1)N(C)C=N;DZIHWRBPASFJQM-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220076;MM220076;C=C(C1CO1)N(N)C=N;ZQRMQQQEZOMFGY-UHFFFAOYSA-N;127.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220077;MM220077;C=C(C1CO1)N(N)C=O;JUBDZTFJTNUYEU-UHFFFAOYSA-N;128.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220078;MM220078;C=CN(C)C(=N)C1CO1;RTJCUVRRWDOBNN-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220079;MM220079;C=CN(N)C(=N)C1CO1;LGQIPWFXGLHPSY-UHFFFAOYSA-N;127.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220080;MM220080;CCC=CN(O)C=NNC;HWFISJOIVQJDAN-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220081;MM220081;N=CN=CN(O)C=CC=O;BRRUMYHXHHCWBF-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220082;MM220082;C=CN(O)C(=O)C1CO1;UDZJIIHOOCIEAQ-UHFFFAOYSA-N;129.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220083;MM220083;CNC(=O)C(=N)N=CNN;BCKUBJFLTIZLGG-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220084;MM220084;C=CC(C)C(=N)N1CC1;PJFYUKSETUYDSF-UHFFFAOYSA-N;124.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220085;MM220085;CC(C=O)C(=N)N1CC1;PWMYVGABMYNQSM-UHFFFAOYSA-N;126.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220086;MM220086;CC(C#N)C(=N)N1CC1;ANMKCQQWNQHSIQ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220087;MM220087;C=CC(N)C(=N)N1CC1;BDMQVELPZKKJTG-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220088;MM220088;CON=CN(O)C(C)CF;XYCUEOQERXXXHZ-UHFFFAOYSA-N;150.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220089;MM220089;CCON=C(C)N(O)CC;WTEFFXYKAXABOB-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220090;MM220090;C=CC(C)C(=O)N1CC1;VVPFAPYEIUIGAF-UHFFFAOYSA-N;125.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220091;MM220091;CC(C=O)C(=O)N1CC1;UERTWQJITUQTRD-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220092;MM220092;CC(C#N)C(=O)N1CC1;LTAVIJKFSLSQKX-UHFFFAOYSA-N;124.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220093;MM220093;N#CC(O)C(=O)N1CC1;CDVOQVANZMMIFA-UHFFFAOYSA-N;126.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220094;MM220094;C=CC(F)C(=O)N1CC1;QAJIJCNRGZZFMK-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220095;MM220095;C=CN(C)C(=N)N1CC1;RDCUZRQZCKEBPL-UHFFFAOYSA-N;125.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220096;MM220096;CN(C=N)C(=N)N1CC1;PBQPJINBCVISRD-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220097;MM220097;C=CN(N)C(=N)N1CC1;YXBIQHBBTIUXST-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220098;MM220098;N=CN(N)C(=N)N1CC1;NPDYFLQFIXYPSJ-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220099;MM220099;C=CN(O)C(=N)N1CC1;CIWIVMKYOQBASG-UHFFFAOYSA-N;127.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220100;MM220100;N=CN(O)C(=N)N1CC1;MRDBCPONXVCEHW-UHFFFAOYSA-N;128.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220101;MM220101;C=CN(C)C(=O)N1CC1;NMOLUCJHOZNIDY-UHFFFAOYSA-N;126.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220102;MM220102;CN(C=N)C(=O)N1CC1;ATSKGTPSEOSJTG-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220103;MM220103;C=CN(N)C(=O)N1CC1;BATBOTMHJCRZRT-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220104;MM220104;N=CN(N)C(=O)N1CC1;WSYURTLSAXFGFU-UHFFFAOYSA-N;128.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220105;MM220105;C=CN(O)C(=O)N1CC1;WVZWAAONHLDZCD-UHFFFAOYSA-N;128.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220106;MM220106;N=CN(O)C(=O)N1CC1;JOBJKJRMVLMIQF-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220107;MM220107;C=NN(C)C(=N)N1CC1;LVLHKGKSQRWUIF-UHFFFAOYSA-N;126.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220108;MM220108;C=NN(C)C(=O)N1CC1;GVRJHENRFKTFTH-UHFFFAOYSA-N;127.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220109;MM220109;C#CC(C)C(=C)C1CC1;ATRNZOSFWCAQBI-UHFFFAOYSA-N;120.2;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220110;MM220110;C#CC(N)C(=C)C1CC1;CFERKSOSZQEFCP-UHFFFAOYSA-N;121.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220111;MM220111;C#CC(O)C(=C)C1CC1;WWFYMAPMSYCWPY-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220112;MM220112;C#CC(C)C(=C)C1CO1;QWUQLKPLIUSNEK-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220113;MM220113;C#CC(N)C(=C)C1CO1;OHQWTBQSBNCJGJ-UHFFFAOYSA-N;123.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220114;MM220114;C#CC(O)C(=C)C1CO1;WVCOYTHOIDJVKM-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220115;MM220115;C#CC(F)C(=C)C1CO1;IWHHRBSYDBVXIN-UHFFFAOYSA-N;126.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220116;MM220116;C#CC(C)C(=N)N1CC1;JVGRFXNCSADXTR-UHFFFAOYSA-N;122.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220117;MM220117;C#CC(N)C(=N)N1CC1;KXMJBCYLOPNXOM-UHFFFAOYSA-N;123.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220118;MM220118;C#CC(O)C(=N)N1CC1;NKSGTYAYRBBUOF-UHFFFAOYSA-N;124.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220119;MM220119;C=CN(O)C=NNC=NN;IVXYBKHROYIFNI-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220120;MM220120;C#CC(C)C(=O)N1CC1;RIHZDHQYBKZVLD-UHFFFAOYSA-N;123.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220121;MM220121;C#CC(F)C(=O)N1CC1;JDBYBNZMYPEFJP-UHFFFAOYSA-N;127.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220122;MM220122;C=C(C(=O)CC)C1CC1;KXUAQPNBGWVYEN-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220123;MM220123;C=C(C(=O)CF)C1CC1;KVRYHLCNMGYXMN-UHFFFAOYSA-N;128.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220124;MM220124;CCC(=O)C(=O)C1CC1;FEQHRFSFCUOMLG-UHFFFAOYSA-N;126.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220125;MM220125;O=C(CO)C(=O)C1CC1;APFUZNBFPHEYSZ-UHFFFAOYSA-N;128.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220126;MM220126;C=C(C(=N)NC)C1CC1;MZFLFRWIOCLMKC-UHFFFAOYSA-N;124.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220127;MM220127;C=C(C(=N)NN)C1CC1;HOKRCJALFYOIAQ-UHFFFAOYSA-N;125.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220128;MM220128;C=C(C(=N)NO)C1CC1;POBIGDZGQDMGRX-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220129;MM220129;NN=CC(CO)OC=CF;YRTQEYPGUQBTKC-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220130;MM220130;C=COC(C=NNC)CO;LOLNCYMIOAKAAP-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220131;MM220131;C=C(OC)C(=C)C1CC1;HGTGSBPODYVTPA-UHFFFAOYSA-N;124.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220132;MM220132;C=C(C(=O)OC)C1CC1;XRGJLCRYJCFDQC-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220133;MM220133;C=C(C(=O)CC)C1CN1;YKEGLFYUBDOLMV-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220134;MM220134;C=C(C(=N)NC)C1CN1;LCOLCSXUHLVWSA-UHFFFAOYSA-N;125.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220135;MM220135;C=C(C(=N)NN)C1CN1;IIIMGOLGXFUHMN-UHFFFAOYSA-N;126.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220136;MM220136;CCC#CC(=NOC)NO;PATFZWQEXPEXRG-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220137;MM220137;C#CC#CC(=NCC)NO;SOWPSRZOHGKSOS-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220138;MM220138;C=C(C(=O)CC)C1CO1;BUDIBSPLUUDCET-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220139;MM220139;CCC(=O)C(=O)C1CO1;WHARJTOTKYPGHU-UHFFFAOYSA-N;128.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220140;MM220140;C=C(C(=N)NN)C1CO1;ULORWXMKPXPHPD-UHFFFAOYSA-N;127.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220141;MM220141;C=C(CC)C(=N)N1CC1;HXZZAAOWUKYIIT-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220142;MM220142;C=C(CN)C(=N)N1CC1;QJKDDINQNYAMQI-UHFFFAOYSA-N;125.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220143;MM220143;C=C(CO)C(=N)N1CC1;VHDHEXKWUOXDEK-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220144;MM220144;C=C(CF)C(=N)N1CC1;YKUVTIFSIASNMO-UHFFFAOYSA-N;128.15;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220145;MM220145;CCC(=O)C(=N)N1CC1;ZESMOWOKQFJDTL-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220146;MM220146;C#CC(NN=CC)C(C)=O;CEZWYBNUESXOEV-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220147;MM220147;C=C(CC)C(=O)N1CC1;KPLFVGJIHBMEFF-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220148;MM220148;C=C(CN)C(=O)N1CC1;VSTIEVZESVDEIX-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220149;MM220149;C=C(CO)C(=O)N1CC1;OUOLVXUUBIACLO-UHFFFAOYSA-N;127.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220150;MM220150;C=C(CF)C(=O)N1CC1;VOZNFTPUSALNAT-UHFFFAOYSA-N;129.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220151;MM220151;CCC(=O)C(=O)N1CC1;KPJUJWHSKWCKBI-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220152;MM220152;O=C(CO)C(=O)N1CC1;NWADMNIWVUABEU-UHFFFAOYSA-N;129.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220153;MM220153;O=C(CF)C(=O)N1CC1;CNECQVQESSRNIK-UHFFFAOYSA-N;131.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220154;MM220154;CNC(=N)C(=N)N1CC1;MAHMAZIMCYZNJI-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220155;MM220155;N=C(NN)C(=N)N1CC1;DMNLAOUPHJZINX-UHFFFAOYSA-N;127.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220156;MM220156;N=C(NO)C(=N)N1CC1;VHOXSVLFTQFRQX-UHFFFAOYSA-N;128.14;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220157;MM220157;Nc1c(F)c(N)n(N)c1O;WRMVFUHZWMPZLZ-UHFFFAOYSA-N;146.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220158;MM220158;C=Nn1nc(N)n(N)c1=O;RVHPFSHXQIVGCT-UHFFFAOYSA-N;142.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220159;MM220159;CCC(=NN)C(CO)OC;DCMSIRPYRYKVKJ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220160;MM220160;CNC(=O)C(=O)N1CC1;UZUJFEWSUKKWAC-UHFFFAOYSA-N;128.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220161;MM220161;NNC(=O)C(=O)N1CC1;QEBBDBQUTFQPDQ-UHFFFAOYSA-N;129.12;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220162;MM220162;C=C(OC)C(=N)N1CC1;JWWJZFOADGCEQG-UHFFFAOYSA-N;126.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220163;MM220163;COC(=O)C(=N)N1CC1;DCVAWDXNAMKCPK-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220164;MM220164;C=C(OC)C(=O)N1CC1;FMQLFKLJPTVJAQ-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220165;MM220165;COC(=O)C(=O)N1CC1;PXCVIMKYVSWDAR-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220166;MM220166;C=C(C#N)C(=O)C1CC1;BXHOPHDHDACXMY-UHFFFAOYSA-N;121.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220167;MM220167;C=CC(=O)C(=C)C1CN1;KXZZHQBOHMYSLB-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220168;MM220168;C=CC(=C)C(=N)N1CC1;LSMLWHCNGLNXPK-UHFFFAOYSA-N;122.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220169;MM220169;C=C(C=O)C(=N)N1CC1;MVSXYVCSGVVHMK-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220170;MM220170;C=CC(=O)C(=N)N1CC1;DTUKUWNUCYRRKI-UHFFFAOYSA-N;124.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220171;MM220171;N=C(C(=O)C=O)N1CC1;GQENXONPFRVIGB-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220172;MM220172;N#CC(=O)C(=N)N1CC1;VPTAEUMCDPZELX-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220173;MM220173;C=CC(=C)C(=O)N1CC1;KYHPGTNGXSDTLI-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220174;MM220174;C=C(C#N)C(=O)N1CC1;YTZFXLFLQZDUHE-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220175;MM220175;C=CC(=O)C(=O)N1CC1;CXOAQGXIHYIBCT-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220176;MM220176;O=CC(=O)C(=O)N1CC1;HFBUGLNOYNVATP-UHFFFAOYSA-N;127.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220177;MM220177;N#CC(=O)C(=O)N1CC1;UIPFZRYDMRFVKV-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220178;MM220178;C#CC(=O)C(=C)C1CC1;SLIXFGDFEZLIQR-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220179;MM220179;C#CC(=C)C(=O)C1CC1;XULOYBIEUVSQDY-UHFFFAOYSA-N;120.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220180;MM220180;C#CC(=O)C(=O)C1CC1;BFCKHHYUVORSOU-UHFFFAOYSA-N;122.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220181;MM220181;NN=C(C#CCCO)NO;RTZOKKHZMZEOGN-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220182;MM220182;C#CC(=C)C(=N)N1CC1;FXFYTCBMXXSUGI-UHFFFAOYSA-N;120.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220183;MM220183;NN=C(C#CC=CF)NO;SCSQCAKHHIQEKR-UHFFFAOYSA-N;143.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220184;MM220184;C#CC(=C)C(=O)N1CC1;ZFOXWFYPRQAQDN-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220185;MM220185;C#CC(=O)C(=O)N1CC1;RCJOQWZDNJXXLE-UHFFFAOYSA-N;123.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220186;MM220186;CC=C(C)C(C)C1CC1;XJFRHSRNBFHWDK-UHFFFAOYSA-N;124.23;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220187;MM220187;CC(=CF)C(C)C1CC1;GNWMXIIECMPSHD-UHFFFAOYSA-N;128.19;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220188;MM220188;CC(C(F)=CF)C1CC1;AFYWNGDOCSLCEJ-UHFFFAOYSA-N;132.15;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220189;MM220189;CC=C(C)C(N)C1CC1;JFDQZKNSDJJRGR-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220190;MM220190;CC(=CF)C(O)C1CC1;SIZDBCFCWYXAMF-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220191;MM220191;CC(=NN)C(C)C1CC1;YXSAGPVPSJZAFH-UHFFFAOYSA-N;126.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220192;MM220192;CC(=NO)C(C)C1CC1;YNUWUQMYVNQXIY-UHFFFAOYSA-N;127.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220193;MM220193;CC(=NO)C(N)C1CC1;QVSRNGVIHYULCC-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220194;MM220194;CC(=NO)C(O)C1CC1;LCLSEDZMZKWQMN-UHFFFAOYSA-N;129.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220195;MM220195;CC(=NN)N(C)C1CC1;FEHLNKSKVZFXPI-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220196;MM220196;CC#CC#CC(=NC)NO;SAEPRPSKWBKAKD-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220197;MM220197;CC=C(C)C(N)C1CN1;FZJYGCLTMLLAHP-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220198;MM220198;CC(=CF)C(C)C1CO1;PFXPMYCUAJCVMZ-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220199;MM220199;CC=C(F)C(C)C1CO1;NFAMVKSGPHKPPQ-UHFFFAOYSA-N;130.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220200;MM220200;CC(=NN)C(C)C1CO1;YGADAXSHHTWGPG-UHFFFAOYSA-N;128.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220201;MM220201;CCCN(O)C(C=O)=NC;WJVGRVOPJBRXMB-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220202;MM220202;CC=C(F)C(C)N1CC1;XXOBXPSQOPKKMY-UHFFFAOYSA-N;129.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220203;MM220203;CC(=NN)C(C)N1CC1;FKQFSRLBRHJQAQ-UHFFFAOYSA-N;127.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220204;MM220204;CON=c1ccn(O)cn1;PPFHKRDAKUZKSQ-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220205;MM220205;CN=C(C)N(C)N1CC1;ZHCHJCJZUQUIKP-UHFFFAOYSA-N;127.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220206;MM220206;O=CN=c1ccn(O)cn1;NTMAAGYFCMKFCK-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220207;MM220207;C=C(C(C)=CF)C1CC1;PRRPJIUGOFREPJ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220208;MM220208;C=C(C(F)=CC)C1CC1;QDUSSDGXQBUBIZ-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220209;MM220209;CC=C(C)C(=O)C1CC1;SEDUDBKFRPJJHN-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220210;MM220210;CC(=CN)C(=O)C1CC1;DTOPXIQIWUONJC-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220211;MM220211;C=C(C(C)=NN)C1CC1;LYMJRXCHFIEIIK-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220212;MM220212;CC(=NO)C(=O)C1CC1;YWFHYHCLAAXKCZ-UHFFFAOYSA-N;127.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220213;MM220213;C=NN=c1ccn(O)cn1;JIDQROYNGKLRDF-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220214;MM220214;C=C(C(C)=CF)C1CO1;WJGMTAUKPDDFHS-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220215;MM220215;C=C(C(F)=CC)C1CO1;JOCQDIIUAJAZRD-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220216;MM220216;CC=C(C)C(=N)N1CC1;QZDWQKIRIQKHBT-UHFFFAOYSA-N;124.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220217;MM220217;CC(=CN)C(=N)N1CC1;IBRKPKSPQKETHH-UHFFFAOYSA-N;125.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220218;MM220218;N=C(C(F)=CF)N1CC1;LHEIBVHYZCEMFS-UHFFFAOYSA-N;132.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220219;MM220219;CC=C(C)C(=O)N1CC1;RIPOADLYLLYJPR-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220220;MM220220;CC=C(F)C(=O)N1CC1;CGXPDTVVBHOHDE-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220221;MM220221;O=C(C(F)=CF)N1CC1;GHFAFNHQKGPMBA-UHFFFAOYSA-N;133.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220222;MM220222;CCCC1=NOC(CO)C1;XOUMWNLZDLMTEH-UHFFFAOYSA-N;143.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220223;MM220223;CC(=NO)C(=O)N1CC1;NULVTCLEKGHTPW-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220224;MM220224;CCC(C)=C(C)C1CC1;CULZVHAFMZHIRH-UHFFFAOYSA-N;124.23;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220225;MM220225;CC(CN)=C(C)C1CC1;LHILJEQMBLWRBF-UHFFFAOYSA-N;125.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220226;MM220226;C#CCC1=NOC(CO)C1;RAAUJMZLRHCSKG-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220227;MM220227;CC(CF)=C(C)C1CC1;LMWGKYMYCKQUQM-UHFFFAOYSA-N;128.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220228;MM220228;CCC(F)=C(C)C1CC1;LSGYAUHJCGGFCI-UHFFFAOYSA-N;128.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220229;MM220229;CC(=C(F)CO)C1CC1;KKWZGZFYYAITMG-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220230;MM220230;CC(CF)=C(F)C1CC1;ZCSSAFRHVRJHIF-UHFFFAOYSA-N;132.15;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220231;MM220231;CCC(F)=C(F)C1CC1;VVGPSSVKASOOFO-UHFFFAOYSA-N;132.15;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220232;MM220232;COC(C)=C(C)C1CC1;FQDIQZSCLHFVCK-UHFFFAOYSA-N;126.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220233;MM220233;COC(C)=C(F)C1CC1;MQPIEWNFTTXUGN-UHFFFAOYSA-N;130.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220234;MM220234;CC(CN)=C(C)C1CN1;OOIWTKVHIGLILO-UHFFFAOYSA-N;126.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220235;MM220235;COC(C)=C(F)C1CN1;APIPNUMUAHXCCO-UHFFFAOYSA-N;131.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220236;MM220236;CCC(C)=C(C)C1CO1;NAHORFSNZXOLNE-UHFFFAOYSA-N;126.2;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220237;MM220237;CC(CN)=C(C)C1CO1;RLEQGIDDZNETHG-UHFFFAOYSA-N;127.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220238;MM220238;CC(CO)=C(C)C1CO1;BAORILLKGOMRSA-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220239;MM220239;CC(CF)=C(C)C1CO1;CAYOVPAQJLONAL-UHFFFAOYSA-N;130.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220240;MM220240;COC(C)=C(C)C1CO1;IPWOWEXXXWUFDN-UHFFFAOYSA-N;128.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220241;MM220241;COC(C)=C(F)C1CO1;TVTXVTJOJSEZFI-UHFFFAOYSA-N;132.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220242;MM220242;C=CC(C)=C(C)C1CC1;FGTHSTKJOOFFPQ-UHFFFAOYSA-N;122.21;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220243;MM220243;CC(C=O)=C(C)C1CC1;BQGRTPMHZOKLOA-UHFFFAOYSA-N;124.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220244;MM220244;CC(C#N)=C(C)C1CC1;KSUOZJLSJYRVGG-UHFFFAOYSA-N;121.18;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220245;MM220245;C=CC(F)=C(C)C1CC1;OGSYMQWPFRCZPY-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220246;MM220246;CC(=C(F)C=O)C1CC1;RRKUZYLRQZWXOA-UHFFFAOYSA-N;128.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220247;MM220247;CC(=C(F)C#N)C1CC1;FEJNFNIRZYAZBW-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220248;MM220248;CC(C=O)=C(N)C1CC1;MCCHXKLJBHNGRZ-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220249;MM220249;CC(C#N)=C(N)C1CC1;QWCSCKMKXWBOOR-UHFFFAOYSA-N;122.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220250;MM220250;NC(=C(F)C=O)C1CC1;LPZDTHGFLSWMEG-UHFFFAOYSA-N;129.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220251;MM220251;N#CC(F)=C(N)C1CC1;WCWDZYNOSZEBNF-UHFFFAOYSA-N;126.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220252;MM220252;C=CC(C)=C(F)C1CC1;LYMLQJBESXFZQL-UHFFFAOYSA-N;126.17;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220253;MM220253;CC(C#N)=C(F)C1CC1;PWNUQDNVUSIDHX-UHFFFAOYSA-N;125.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220254;MM220254;C=CC(F)=C(F)C1CC1;XTZMNYAARWDTOZ-UHFFFAOYSA-N;130.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220255;MM220255;CC(C#N)=C(C)C1CN1;PXUXRAYLBJQINN-UHFFFAOYSA-N;122.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220256;MM220256;CC(=C(F)C=O)C1CN1;NGUPWWMFYYPCLT-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220257;MM220257;CC(=C(F)C#N)C1CN1;KOVYVHAISYHPEA-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220258;MM220258;CC(C=O)=C(N)C1CN1;BWQZCQUJMYOXCC-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220259;MM220259;CC(C#N)=C(N)C1CN1;PGHRWJGBJFYTHL-UHFFFAOYSA-N;123.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220260;MM220260;CC=CC1=NOC(CO)C1;XUCJUYCUAJLFHP-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220261;MM220261;N#CC(F)=C(N)C1CN1;ZOEPLBALKKELFY-UHFFFAOYSA-N;127.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220262;MM220262;C=CC(C)=C(F)C1CN1;WQBMUFRDQHWUOY-UHFFFAOYSA-N;127.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220263;MM220263;CC(C#N)=C(F)C1CN1;FWNFTWZTQNGNSK-UHFFFAOYSA-N;126.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220264;MM220264;C=CC(C)=C(C)C1CO1;GFSVWGMXKLADOK-UHFFFAOYSA-N;124.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220265;MM220265;CC(C=O)=C(C)C1CO1;UFGJXOQBNFIPOM-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220266;MM220266;CC(C#N)=C(C)C1CO1;CZPLCRGLBDPJRE-UHFFFAOYSA-N;123.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220267;MM220267;C=CC(F)=C(C)C1CO1;SGFBRYHNJDENBD-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220268;MM220268;CC(=C(F)C#N)C1CO1;SXWQPLCRBMXPSA-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220269;MM220269;CC(C#N)=C(N)C1CO1;MECAKDZANMCSAT-UHFFFAOYSA-N;124.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220270;MM220270;C=CC(C)=C(F)C1CO1;AMXLINAERVWXTL-UHFFFAOYSA-N;128.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220271;MM220271;CC(C#N)=C(F)C1CO1;QOQDUKNWZXIIAM-UHFFFAOYSA-N;127.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220272;MM220272;CC(C=O)=C(C)N1CC1;VSLQCEPVGYHXRU-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220273;MM220273;CC(C#N)=C(C)N1CC1;XHKBLPBEGXRCDO-UHFFFAOYSA-N;122.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220274;MM220274;CC(=C(F)C=O)N1CC1;OXSITRIBGHRUFU-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220275;MM220275;CC(=C(F)C#N)N1CC1;DPLVJXLUKJLWMT-UHFFFAOYSA-N;126.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220276;MM220276;CC(C=O)=C(N)N1CC1;HSINGOARMIUFTK-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220277;MM220277;CC(C#N)=C(N)N1CC1;AHQDIHJFADOEAP-UHFFFAOYSA-N;123.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220278;MM220278;N#CC(F)=C(N)N1CC1;NQVZGDLOBXOTJB-UHFFFAOYSA-N;127.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220279;MM220279;C#CC(C)=C(C)C1CC1;DCRBOYFEXALQFB-UHFFFAOYSA-N;120.2;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220280;MM220280;C#CC(F)=C(C)C1CC1;LXWPDOAPQQMFQF-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220281;MM220281;C#CC(C)=C(F)C1CC1;LHUSKXHZIMAGGQ-UHFFFAOYSA-N;124.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220282;MM220282;C#CC(F)=C(F)C1CC1;CTYFGSDBOQNZPV-UHFFFAOYSA-N;128.12;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220283;MM220283;C#CC(C)=C(F)C1CN1;WLSKCROJJNFZNN-UHFFFAOYSA-N;125.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220284;MM220284;C#CC(C)=C(C)C1CO1;ZLEQZRXKMFIQAX-UHFFFAOYSA-N;122.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220285;MM220285;C#CC(F)=C(C)C1CO1;RGZYPUNGWVEJKL-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220286;MM220286;C#CC(C)=C(F)C1CO1;KFJGIBGJTSBDSN-UHFFFAOYSA-N;126.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220287;MM220287;CCC1CC1(C)C1CC1;NNHACTHHBUJQGH-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220288;MM220288;CC#CC1=NOC(CO)C1;QRZPIFYTYHHBNA-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220289;MM220289;CC1(C2CC2)CC1CF;IHMHZXDNDXIUHX-UHFFFAOYSA-N;128.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220290;MM220290;CCC1CC1(N)C1CC1;KOMUSWHQMIEMRJ-UHFFFAOYSA-N;125.22;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220291;MM220291;CC=CN(O)C=NN1CC1;XRODPOFTHIUIDN-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220292;MM220292;CNC1CC1(C)C1CC1;UNXBNBAOXDKQQC-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220293;MM220293;COC1CC1(N)C1CC1;PUXKJORLRLUSFK-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220294;MM220294;CC1(C2CC2)NC1CN;ZZFKPRUWUMGZQM-UHFFFAOYSA-N;126.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220295;MM220295;CC1(C2CN2)NC1CN;CKZURYJIUDGHGD-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220296;MM220296;CCC1OC1(C)C1CC1;JJHRCOPOGKAZAM-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220297;MM220297;CC1C(C)C1(C)C1CC1;KTEIEPVPGVIXRM-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220298;MM220298;CC(C)(C1CC1)C1CC1;ALDZZQGZBUBGPZ-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220299;MM220299;NC1C(O)CC1C1CC1;OMSKSHMTTXQSGS-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220300;MM220300;OC1CC(C2CC2)C1O;GRPCDTPDSCDJRZ-UHFFFAOYSA-N;128.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220301;MM220301;CC(C)C1CC1C1CC1;WVZCVIBRGKJOFU-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220302;MM220302;CC(N)C1CC1C1CC1;YSPABPAKEMTMMA-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220303;MM220303;CN(C)C1CC1C1CC1;BKNNSZSTVASMMK-UHFFFAOYSA-N;125.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220304;MM220304;CC(N)C1CC1C1CN1;KBYUQBUMQVODAF-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220305;MM220305;CC(C)N1CC1C1CO1;BMWXFBPDMICLNU-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220306;MM220306;CC(N)C1CC1N1CC1;AOAPPVCPOBBXSO-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220307;MM220307;CC(=O)C1CC1C1CC1;LIRUAPWFNMOSEL-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220308;MM220308;N=C(N)C1CC1C1CC1;ANVOSIQJLRVHSX-UHFFFAOYSA-N;124.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220309;MM220309;N=C(N)C1CC1C1CN1;QXJRYSKAEBAJAI-UHFFFAOYSA-N;125.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220310;MM220310;C=C(C)C1CC1C1CO1;DJUPQSMIVDTATM-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220311;MM220311;CC(=N)N1CC1C1CC1;DTGAHJSBLQNPAO-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220312;MM220312;CC(=O)N1CC1C1CC1;WNPAOAKFEVGLTM-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220313;MM220313;N=C(N)N1CC1C1CC1;MQVRBUYLIIRNHY-UHFFFAOYSA-N;125.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220314;MM220314;NC(=O)N1CC1C1CC1;ZDGHCOMQGAVHOP-UHFFFAOYSA-N;126.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220315;MM220315;CC(=N)N1CC1C1CN1;MSHBJIQDGRMKTA-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220316;MM220316;N=C(N)N1CC1C1CN1;IHKRFNWOGVFYRV-UHFFFAOYSA-N;126.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220317;MM220317;CC(=O)N1CC1C1CO1;YYMWKYKKVVURLA-UHFFFAOYSA-N;127.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220318;MM220318;N=C(N)N1CC1C1CO1;CHHUMQBFJMTZLZ-UHFFFAOYSA-N;127.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220319;MM220319;NC(=O)N1CC1C1CO1;BXDOBHRLHBATLN-UHFFFAOYSA-N;128.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220320;MM220320;CC1CC1C(C)C1CC1;PBMLXSGXDLGERN-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220321;MM220321;CC1CC1C(N)C1CC1;IWDMMBXUHPZUIM-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220322;MM220322;OCC1=CC2NC2(CO)C1;XAQNYXMPWYULSZ-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220323;MM220323;CC(C1CC1)C1CC1N;QEYCCPJLAMEVRS-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220324;MM220324;NC1CC1C(N)C1CC1;ZULNLBFDBLZOAI-UHFFFAOYSA-N;126.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220325;MM220325;NC(C1CC1)C1CC1O;QHMLPGJUBQKUOS-UHFFFAOYSA-N;127.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220326;MM220326;CC1CC1N(C)C1CC1;GUDHKWYWDULJQN-UHFFFAOYSA-N;125.22;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220327;MM220327;CC1CC1C(N)C1CN1;RDOUVBAHEQTXBQ-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220328;MM220328;NC1CC1C(N)C1CN1;CYRZYSNINVCVFU-UHFFFAOYSA-N;127.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220329;MM220329;CC1CC1C(C)C1CO1;IFUJSBVORYNEDR-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220330;MM220330;CC1NC1C(N)C1CC1;CGPOBQIWVCJFPB-UHFFFAOYSA-N;126.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220331;MM220331;CC1NC1C(N)C1CN1;YHDBFTHCEABSSW-UHFFFAOYSA-N;127.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220332;MM220332;CC1OC1C(C)C1CC1;PYAMDDIMGGBXMU-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220333;MM220333;CC1OC1C(N)C1CC1;IQKKXIRDCMFKBT-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220334;MM220334;C=C(C1CC1)C1CC1C;HCSWCDPLMWHDRS-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220335;MM220335;CC1CC1C(=O)C1CC1;ZXYJNWUZZITFME-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220336;MM220336;C=C(C1CO1)C1CC1C;NWTDMOGSQPCJGB-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220337;MM220337;CC1OC1C(=O)C1CC1;BCUJNPCRDXUXBX-UHFFFAOYSA-N;126.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220338;MM220338;CC1CC1C(=N)N1CC1;KWNZXVSXWXMKCK-UHFFFAOYSA-N;124.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220339;MM220339;CC1CC1C(=O)N1CC1;KHROAHSYJBNNFF-UHFFFAOYSA-N;125.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220340;MM220340;N=C(C1CC1N)N1CC1;DLYVIIQZEWQAFW-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220341;MM220341;NC1CC1C(=O)N1CC1;LIOCNIWOZRKPGU-UHFFFAOYSA-N;126.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220342;MM220342;N=C(C1CC1O)N1CC1;GYTDZCHABKSIRE-UHFFFAOYSA-N;126.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220343;MM220343;N=C(C1CC1F)N1CC1;YTHREDHYKSVHTN-UHFFFAOYSA-N;128.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220344;MM220344;CC1NC1C(=N)N1CC1;OXTBXFHYXRBYCZ-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220345;MM220345;CCn1ncc(CO)c1N;MREVLWVCPOUHNU-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220346;MM220346;CC1OC1C(=N)N1CC1;SLGVNHDONKZENZ-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220347;MM220347;CC1OC1C(=O)N1CC1;KFXJBLIBFZFHBI-UHFFFAOYSA-N;127.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220348;MM220348;C=C(C1CC1)C1CN1C;BEPXNFOJFYXMDM-UHFFFAOYSA-N;123.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220349;MM220349;CN1CC1C(=N)N1CC1;JNXLPPZXHNUSBQ-UHFFFAOYSA-N;125.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220350;MM220350;O=CC1(CO)NC1C1CO1;XIBVLUSTINBIJY-UHFFFAOYSA-N;143.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220351;MM220351;CC1CN1C(=N)C1CC1;UIRXMGRDRNQGSM-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220352;MM220352;CC1CN1C(=O)C1CC1;DWVRLUSHTVTLCY-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220353;MM220353;CC1CN1C(=N)C1CN1;GXVXHNSIMZZWQY-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220354;MM220354;CC1CN1C(=O)C1CN1;CFKPMBCLDNHJOK-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220355;MM220355;CC1CN1C(=O)C1CO1;PBNGZDDEDHTUDP-UHFFFAOYSA-N;127.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220356;MM220356;CC1CN1C(=N)N1CC1;JGPYYXWVQQOOCS-UHFFFAOYSA-N;125.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220357;MM220357;CC1CN1C(=O)N1CC1;FCJOVPNVHDYLLW-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220358;MM220358;CC(O)C=NOC=O;HUQAZTGRGOLYJO-UHFFFAOYSA-N;117.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220359;MM220359;N=c1[nH]oc2nncn12;ALAJXRUIVMRVAW-UHFFFAOYSA-N;125.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220360;MM220360;N=c1[nH]oc2ccnn12;IWJVXAWVGXGPPC-UHFFFAOYSA-N;124.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220361;MM220361;O=c1o[nH]n2cnnc12;MWVKKCNBGQLCEU-UHFFFAOYSA-N;126.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220362;MM220362;O=c1o[nH]n2ncnc12;ISJPLONAWKJDCA-UHFFFAOYSA-N;126.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220363;MM220363;Cn1occ2cnnc1-2;LRRLNJXNUQZIMF-UHFFFAOYSA-N;123.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220364;MM220364;Nn1occ2cnnc1-2;KHKSETXVUJISAK-UHFFFAOYSA-N;124.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220365;MM220365;N#CC(C#CC=CF)=NO;VFOMYNPXFYKJLL-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220366;MM220366;Cn1occ2ncnc1-2;SPUMXGQBXLXBGK-UHFFFAOYSA-N;123.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220367;MM220367;Nn1occ2ncnc1-2;CSWZOZYMCDQNMT-UHFFFAOYSA-N;124.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220368;MM220368;Cc1c(O)noc1CO;SHRXAALYDCWOGD-UHFFFAOYSA-N;129.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220369;MM220369;Cn1onc2cnnc1-2;VLCQPFGNSFMPOC-UHFFFAOYSA-N;124.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220370;MM220370;Nn1onc2cnnc1-2;KUXRLFKGFGXHSI-UHFFFAOYSA-N;125.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220371;MM220371;COc1noc(C)c1O;JFDFHQDPSQTENB-UHFFFAOYSA-N;129.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220372;MM220372;Cn1onc2ncnc1-2;RWHKPHDJGYLTAK-UHFFFAOYSA-N;124.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220373;MM220373;Nn1onc2ncnc1-2;ARBXOZQYHYWFPX-UHFFFAOYSA-N;125.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220374;MM220374;C#CCc1nn[nH]n1;RQMUHCCQANXDKX-UHFFFAOYSA-N;108.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220375;MM220375;Cc1o[nH]c2nncc1-2;ZZRHMWZPZQHRIA-UHFFFAOYSA-N;123.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220376;MM220376;Cc1[nH]nc(F)c1O;GHEUGMTXTWNPJA-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220377;MM220377;CCC1C(C)C1C1CC1;CTYVDOGUKHPGSD-UHFFFAOYSA-N;124.23;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220378;MM220378;CCN(O)C(=N)CF;FGFVCBOWODMVPF-UHFFFAOYSA-N;120.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220379;MM220379;COC(C=NN)CO;JBTNBNRRHDJGLV-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220380;MM220380;CNC1C(N)C1C1CC1;IIYTWQUNNYJUIM-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220381;MM220381;NCC1C(O)C1C1CN1;POWYQUSCCSIOOK-UHFFFAOYSA-N;128.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220382;MM220382;CCC1C(C)C1C1CO1;TXHOGPHASLSDFB-UHFFFAOYSA-N;126.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220383;MM220383;CC1C(CO)C1C1CO1;KLRQROFLMLWLQQ-UHFFFAOYSA-N;128.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220384;MM220384;CCC1C(O)C1C1CO1;LZFCJCKJEBDRHQ-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220385;MM220385;CN1C(CF)C1C1CC1;VFJSCEJTLSOXGV-UHFFFAOYSA-N;129.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220386;MM220386;CN1C(CF)C1C1CO1;RDQIKPHLVAABAT-UHFFFAOYSA-N;131.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220387;MM220387;N=C1C(F)CCN1O;WNIOEZKNKZVBDQ-UHFFFAOYSA-N;118.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220388;MM220388;CNC1C(N)C1N1CC1;LXYXANKJMFYOSA-UHFFFAOYSA-N;127.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220389;MM220389;CCN1C(C)C1C1CO1;VSRHGUUVKMKTIL-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220390;MM220390;C=CC1C(C)C1C1CC1;KJCVWABJNIMSGW-UHFFFAOYSA-N;122.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220391;MM220391;CC1C(C#N)C1C1CC1;UQVXWMRVIBHRMS-UHFFFAOYSA-N;121.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220392;MM220392;NN=CC1OC1CO;MPOUFMLVFVNWMU-UHFFFAOYSA-N;116.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220393;MM220393;C=CC1C(F)C1C1CC1;CVRIVLIOWSQSLB-UHFFFAOYSA-N;126.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220394;MM220394;C=CC1C(C)C1C1CO1;OGFSLXFDODZLBH-UHFFFAOYSA-N;124.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220395;MM220395;C=CC1C(O)C1C1CO1;AKSIPPQDZRLCJV-UHFFFAOYSA-N;126.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220396;MM220396;N=C1CC(F)(F)CN1O;UCVCIWCGSNUGRQ-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220397;MM220397;CN1C(C#N)C1C1CN1;PXRXCSQUYGDCLG-UHFFFAOYSA-N;123.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220398;MM220398;CC1C(C2CC2)N1C=N;FNRFJVUIBLIHPI-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220399;MM220399;CC1C(C2CC2)N1C=O;VJBXAAGKWBWBKS-UHFFFAOYSA-N;125.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220400;MM220400;C=NN1C(C)C1C1CC1;DTIGOAKMUDIGJD-UHFFFAOYSA-N;124.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220401;MM220401;CC1C(C2CN2)N1C=N;SBIJNHLYQKLKDY-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220402;MM220402;CC1C(C2CO2)N1C=N;RGSUMUKVTXZJRH-UHFFFAOYSA-N;126.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220403;MM220403;CC1C(C2CO2)N1C=O;UYYSTOCXVIRHCP-UHFFFAOYSA-N;127.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220404;MM220404;C=NN1C(C)C1C1CO1;RAHVOVVDJZLKAZ-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220405;MM220405;C=CC1C(C)N1C1CC1;DIETUKYUCYQUKA-UHFFFAOYSA-N;123.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220406;MM220406;C#CC1C(C)C1C1CC1;AOMFFRBTVUUKQM-UHFFFAOYSA-N;120.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220407;MM220407;C#CC1C(N)C1C1CC1;ZJYFBBYABMPZLY-UHFFFAOYSA-N;121.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220408;MM220408;C#CC1C(C)C1C1CO1;HTNUTZBJZDAFEK-UHFFFAOYSA-N;122.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220409;MM220409;C#CC1C(C2CC2)N1C;MUZIVWSMLQOGNT-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220410;MM220410;C#CC1C(C)N1C1CC1;FYVCXLDQDQPEMN-UHFFFAOYSA-N;121.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220411;MM220411;CCCC1CC1C1CC1;SCCPMFXUQFGOEC-UHFFFAOYSA-N;124.23;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220412;MM220412;NCCC1CC1C1CC1;FKSISQPOTSBSPD-UHFFFAOYSA-N;125.22;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220413;MM220413;CNCC1CC1C1CC1;HELVQWHLPAEGAZ-UHFFFAOYSA-N;125.22;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220414;MM220414;CCNC1CC1C1CC1;FENDLMHVXCIXNI-UHFFFAOYSA-N;125.22;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220415;MM220415;NCCC1CC1C1CN1;UGAXTFMUTPDSOM-UHFFFAOYSA-N;126.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220416;MM220416;CNCC1CC1C1CN1;KINJYVFPIDIZGM-UHFFFAOYSA-N;126.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220417;MM220417;CCCC1CC1C1CO1;QYELTURBQBHEGZ-UHFFFAOYSA-N;126.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220418;MM220418;NCCC1CC1C1CO1;BZOOTRLRNOMOGW-UHFFFAOYSA-N;127.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220419;MM220419;CNCC1CC1C1CO1;MPIXLKYKWLQLGM-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220420;MM220420;CCNC1CC1C1CO1;RYCXSLMUJRYHET-UHFFFAOYSA-N;127.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220421;MM220421;CCCC1OC1C1CC1;KPBBKBJYWXVFIQ-UHFFFAOYSA-N;126.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220422;MM220422;NCCC1OC1C1CC1;VUFVBZSBSIOBRD-UHFFFAOYSA-N;127.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220423;MM220423;NCCN1CC1C1CC1;QFFNZMQBZXYVQY-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220424;MM220424;CCCN1CC1C1CO1;KPSOPLZBSNFLEA-UHFFFAOYSA-N;127.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220425;MM220425;NCCC1CC1N1CC1;AZFFQEZKXIIAHA-UHFFFAOYSA-N;126.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220426;MM220426;CCNC1CC1N1CC1;QIAGUXKBJQGZGM-UHFFFAOYSA-N;126.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220427;MM220427;C=CCC1CC1C1CC1;GPGHWBSLLRXVQY-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220428;MM220428;O=CCC1CC1C1CC1;DLXMMFUSGQHJNZ-UHFFFAOYSA-N;124.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220429;MM220429;N#CCC1CC1C1CC1;IGZOKLMNNTZSSC-UHFFFAOYSA-N;121.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220430;MM220430;N=CNC1CC1C1CC1;HGFAKGHXVCBOAE-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220431;MM220431;C=NNC1CC1C1CC1;MPAQYHPSOGSDQZ-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220432;MM220432;C=COC1CC1C1CC1;XVTQILLCVBSBFP-UHFFFAOYSA-N;124.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220433;MM220433;N=CNC1CC1C1CN1;YKTKDTMDOVFMDI-UHFFFAOYSA-N;125.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220434;MM220434;C=CCC1CC1C1CO1;ZTOXISJQZIKKQG-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220435;MM220435;O=CCC1CC1C1CO1;KDIZHLJYKHRNJP-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220436;MM220436;N#CCC1CC1C1CO1;XIXBHQRSQPEFRA-UHFFFAOYSA-N;123.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220437;MM220437;N=CNC1CC1C1CO1;WJWSQKWBXTUXHW-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220438;MM220438;C=NNC1CC1C1CO1;UWDXFBQYTSTYAA-UHFFFAOYSA-N;126.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220439;MM220439;C=COC1CC1C1CO1;PVVAJGSOCBOYAY-UHFFFAOYSA-N;126.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220440;MM220440;N#CCC1NC1C1CC1;ANIVJMYLSWHSHR-UHFFFAOYSA-N;122.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220441;MM220441;N#CCC1NC1C1CO1;QLWJXSWUSHXHKS-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220442;MM220442;C=CCC1OC1C1CC1;SVHHKRWRGDJIGZ-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220443;MM220443;C=CCC1OC1C1CO1;WABUBRWZRQQUDT-UHFFFAOYSA-N;126.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220444;MM220444;C=CCN1CC1C1CO1;GHVIXUZUGJGMSE-UHFFFAOYSA-N;125.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220445;MM220445;N#CCC1CC1N1CC1;SKCMOYDUDZVNMA-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220446;MM220446;N=CNC1CC1N1CC1;YDQAIYSTKCSRAJ-UHFFFAOYSA-N;125.18;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220447;MM220447;C=NNC1CC1N1CC1;YLJJVPHXSGNEEA-UHFFFAOYSA-N;125.18;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220448;MM220448;C=COC1CC1N1CC1;DRMCLFFLUKVNQR-UHFFFAOYSA-N;125.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220449;MM220449;C#CCC1CC1C1CC1;WTCJSJXJKSXQID-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220450;MM220450;C#CCC1CC1C1CO1;QFZBYBXQFDACIR-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220451;MM220451;C#CCC1OC1C1CC1;SRJKTDVKRSWLCA-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220452;MM220452;C#CCC1OC1C1CO1;FKUUJBFCOTWIMM-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220453;MM220453;C#CCN1CC1C1CC1;DJQXNISNMZDXKF-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220454;MM220454;C#CCN1CC1C1CO1;DXORZUDCSHBIQD-UHFFFAOYSA-N;123.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220455;MM220455;C#CCC1CN1C1CC1;LCUUECGFYNUTAQ-UHFFFAOYSA-N;121.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220456;MM220456;CC=CC1CC1C1CC1;AHJALZCWRGWQLE-UHFFFAOYSA-N;122.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220457;MM220457;NN=CC1CC1C1CC1;VTSYOHSWQTWXCQ-UHFFFAOYSA-N;124.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220458;MM220458;ON=CC1CC1C1CC1;DDZAWNYYDKICSK-UHFFFAOYSA-N;125.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220459;MM220459;CC=CC1CC1C1CO1;LXEALXBFKPLUKY-UHFFFAOYSA-N;124.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220460;MM220460;NN=CC1CC1C1CO1;MZIGPVUFIYUCFU-UHFFFAOYSA-N;126.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220461;MM220461;NN=CC1NC1C1CC1;STWNGAPQRQTXFO-UHFFFAOYSA-N;125.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220462;MM220462;CC=CC1NC1C1CO1;LRHLPHJEJLJDMY-UHFFFAOYSA-N;125.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220463;MM220463;CC=CC1OC1C1CC1;INWIBIMMHBWFSS-UHFFFAOYSA-N;124.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220464;MM220464;CN=CN1CC1C1CC1;QZSZJEOZSAZFCW-UHFFFAOYSA-N;124.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220465;MM220465;CC=NN1CC1C1CC1;KJZTXYHJKLVVBO-UHFFFAOYSA-N;124.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220466;MM220466;CN=CN1CC1C1CN1;NONKBRLEPFYGMI-UHFFFAOYSA-N;125.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220467;MM220467;NN=CC1CC1N1CC1;FKFADZNDGSOLEQ-UHFFFAOYSA-N;125.18;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220468;MM220468;CC=CC1CN1C1CC1;LFGDEPXAMUHCKR-UHFFFAOYSA-N;123.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220469;MM220469;ON=CC1CN1C1CC1;MJVHCYRIPFYEBV-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220470;MM220470;CC#CC1CC1C1CC1;ZNQZZWPPBZVBNC-UHFFFAOYSA-N;120.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220471;MM220471;CC#CC1CC1C1CO1;FTPBJBFEWFZTHI-UHFFFAOYSA-N;122.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220472;MM220472;CC#CC1NC1C1CC1;XYGSHVRZRAHMHN-UHFFFAOYSA-N;121.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220473;MM220473;CC#CC1NC1C1CO1;HWXVBNMIUYFIOV-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220474;MM220474;CC#CC1OC1C1CC1;GQKDOHBBBOXFRV-UHFFFAOYSA-N;122.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220475;MM220475;CC#CC1OC1C1CO1;DLFWBOMXOIYLOX-UHFFFAOYSA-N;124.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220476;MM220476;CC#CC1CC1N1CC1;LFIIEXZQJDBXHY-UHFFFAOYSA-N;121.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220477;MM220477;CC#CC1CN1C1CC1;DNWUURFYKCQQJD-UHFFFAOYSA-N;121.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220478;MM220478;C=COc1nnc(O)[nH]1;QKBPXDHRTWWVMP-UHFFFAOYSA-N;127.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220479;MM220479;COc1onnc(=N)c1O;ZIORSQGSDHELOC-UHFFFAOYSA-N;143.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220480;MM220480;C=Nn1[nH]cc(N)c1=O;GUUSGBKMMGOBCH-UHFFFAOYSA-N;126.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220481;MM220481;CN=c1nc(O)ncn1O;GONGMDASTCLRPW-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220482;MM220482;CC(C)(C)C(N)C(C)(C)N;XWIZFOUCMJVYCC-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220483;MM220483;CC(C)(C)C(F)C(C)(C)N;HPLABUNNTXTUGU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220484;MM220484;CC(C)(C)C(N)C(C)(C)O;ZHSGNEYTSQTYMX-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220485;MM220485;CC(C)(N)C(N)C(C)(C)N;COEKKPADWPKMHE-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220486;MM220486;CC(C)(N)C(F)C(C)(C)N;UWHQXAYWLTXVHL-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220487;MM220487;CC(C(C)(C)N)C(C)(C)O;FBOSFDWCGZVCRF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220488;MM220488;CC(C)(N)C(N)C(C)(C)O;LEHYKTQYPOSMNM-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220489;MM220489;CC(C)(N)C(O)C(C)(C)O;LKSBEOAFGWJJAN-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220490;MM220490;CC(C)(N)C(N)C(C)(C)F;DUGJKPYILQNQFE-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220491;MM220491;CC(C)(N)C(O)C(C)(F)F;UUZBNDRCWJZZCX-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220492;MM220492;CC(C)(N)C(O)C(F)(F)F;NJBGWLOACYNJPC-UHFFFAOYSA-N;157.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220493;MM220493;CC(C(C)(C)O)C(C)(C)O;MVHBECGZHRZJKG-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220494;MM220494;CC(C)(O)C(O)C(C)(C)O;AIUFBIQURVCZNA-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220495;MM220495;CC(C)(O)C(O)C(C)(C)F;AOUQCQDYPPIMDR-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220496;MM220496;CC(C)(O)C(O)C(F)(F)F;ZGIUGKHAEAYRDO-UHFFFAOYSA-N;158.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220497;MM220497;CC(C)(F)C(O)C(C)(F)F;HAMMANNNRIUHET-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220498;MM220498;CC(C)(F)C(O)C(F)(F)F;LFMIIABJKKCKCV-UHFFFAOYSA-N;160.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220499;MM220499;CC(F)(F)C(O)C(C)(F)F;RDDLGYJHDLFCJA-UHFFFAOYSA-N;160.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220500;MM220500;CC(F)(F)C(O)C(F)(F)F;UNAFZLBJFTWWCP-UHFFFAOYSA-N;164.07;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220501;MM220501;C=NN1CCC(C)(O)C1;ZCOMJOUNFNCSDF-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220502;MM220502;CC(C)(C)C(=O)C(C)(C)O;OZYZMDZCGQDZQN-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220503;MM220503;CC(C)(O)C(=O)C(F)(F)F;AHSSDKRDRHSJIG-UHFFFAOYSA-N;156.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220504;MM220504;O=C(C(F)(F)F)C(F)(F)F;VBZWSGALLODQNC-UHFFFAOYSA-N;166.02;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220505;MM220505;CC(C)(C)CCC(C)(C)C;HXQDUXXBVMMIKL-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220506;MM220506;CC(C)(C)CCC(C)(C)N;YHGBJJJVTHDAMN-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220507;MM220507;CC(O)C=NOC=NN;CBWHPAGFRUSIKY-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220508;MM220508;CC(C)(C)CCC(C)(C)F;BTFFLFRMPLPSLU-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220509;MM220509;CC(C)(N)CCC(C)(C)N;JWTVQZQPKHXGFM-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220510;MM220510;CC(C)(N)CCC(C)(C)O;OVXVNTYRZNIKLH-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220511;MM220511;CC(C)(N)CCC(C)(C)F;XBQXFRYGINAZDZ-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220512;MM220512;CC(C)(N)CCC(C)(F)F;WUXBJVBPHMJFJM-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220513;MM220513;CC(C)(N)CCC(F)(F)F;SGBXFPDLALERHX-UHFFFAOYSA-N;155.16;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220514;MM220514;CC(C)(O)CCC(C)(C)O;ZWNMRZQYWRLGMM-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220515;MM220515;CC(C)(O)CCC(C)(C)F;FQHJNWGICGSNFP-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220516;MM220516;CC(C)(O)CCC(F)(F)F;CDAWNBYHTARKTE-UHFFFAOYSA-N;156.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220517;MM220517;CC(C)(F)CCC(C)(C)F;WJRSOTBJUIGIHA-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220518;MM220518;CC(C)(C)CNC(C)(C)C;JPTZOFZNRFPMPG-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220519;MM220519;CC(C)(N)CNC(C)(C)C;LHNWUKUFGXJJQG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220520;MM220520;CC(C)(O)CNC(C)(C)C;GAKOFQDJWNQMQS-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220521;MM220521;CC(C)(F)CNC(C)(C)C;SICQEOMLNZFHPW-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220522;MM220522;CC(C)(C)COC(C)(C)C;QAROENULPPDYNI-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220523;MM220523;CC(C)(N)COC(C)(C)C;YWNBSWWXCFMZMX-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220524;MM220524;CC(C)(O)COC(C)(C)C;YSRORJUJOPESIQ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220525;MM220525;CC(C)(F)COC(C)(C)C;JJBHWDVATSFTMD-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220526;MM220526;CC(C)(C)C=CC(C)(C)C;UYWLQEPMPVDASH-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220527;MM220527;CC(C)(C)C=CC(C)(C)N;RISIYIFQIBXBJP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220528;MM220528;CC1(N(N)C=O)CC1O;VVVZHGJPFPODAQ-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220529;MM220529;CC(C)(C)C=CC(C)(C)F;AEWIKZKIFSZTBJ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220530;MM220530;CC(C)(N)C=CC(C)(C)N;FWFKONQUHCSNAW-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220531;MM220531;CC(C)(N)C=CC(C)(C)O;YDLRZBYRSBFUBX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220532;MM220532;CC(C)(O)C=CC(C)(C)O;CPEMSVQIDGEZCG-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220533;MM220533;CC(C)(O)C=CC(C)(C)F;AWLPKAFSFOEVBC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220534;MM220534;CC(C)(C)C#CC(C)(C)C;FXVDWKZNFZMSOU-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220535;MM220535;CC(C)(C)C#CC(C)(C)N;YKCVUOLDPCZNFI-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220536;MM220536;CC(C)(C)C#CC(C)(C)O;DKUUKNHZNHMLIW-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220537;MM220537;CC(C)(C)C#CC(C)(C)F;UCCWMBLWQSWZIE-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220538;MM220538;CC(C)(C)C#CC(C)(F)F;NCWUGBCEJOUNOL-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220539;MM220539;CC(C)(N)C#CC(C)(C)F;SPXATDWWQVOIJK-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220540;MM220540;CC(C)(N)C#CC(C)(F)F;CCFLHXCXXHEQLE-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220541;MM220541;CC(C)(N)C#CC(F)(F)F;BCURABPHBBMTEI-UHFFFAOYSA-N;151.13;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220542;MM220542;CC(C)(O)C#CC(C)(C)F;FCZWXWLEZRBSFI-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220543;MM220543;CC(C)(O)C#CC(C)(F)F;KQTHMCNQRZDGRX-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220544;MM220544;CC(C)(F)C#CC(C)(C)F;PPUSBGPZLGYFRZ-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220545;MM220545;CC(C)(F)C#CC(C)(F)F;NUYPROBBLDCNQJ-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220546;MM220546;CC(F)(F)C#CC(C)(F)F;GINRMDCZJUDARM-UHFFFAOYSA-N;154.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220547;MM220547;CC(F)(F)C#CC(F)(F)F;SYIRCHUNFWXKBZ-UHFFFAOYSA-N;158.07;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220548;MM220548;FC(F)(F)C#CC(F)(F)F;WBCLXFIDEDJGCC-UHFFFAOYSA-N;162.03;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220549;MM220549;CCC(C)(C)CC(C)(C)C;PXHNHTBJHHSVPT-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220550;MM220550;CC(C)(C)CC(C)(C)CN;VYGCSTNMRUGBRM-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220551;MM220551;C=NN(C)C1(C)CC1O;VCADFCGNBKSTKA-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220552;MM220552;CC(C)(C)CC(C)(C)CF;KCKTUUHPCARMCP-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220553;MM220553;CCC(C)(C)CC(C)(C)N;TZSJUPHSJLIAEW-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220554;MM220554;CC(C)(N)CC(C)(C)CN;ZVIPQFBTRXYKCP-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220555;MM220555;CC(C)(N)CC(C)(C)CO;DUFNHUAPNHOTAT-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220556;MM220556;CC(C)(N)CC(C)(C)CF;NOYXALHTGJKNQK-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220557;MM220557;CC(=NN)N(O)CCF;IHHQKLRZUPUPHC-UHFFFAOYSA-N;135.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220558;MM220558;CC(C)(O)CC(C)(C)CN;ZAQHITGHTRSIEK-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220559;MM220559;CC(C)(O)CC(C)(C)CO;UPQBAPMBTTWGMM-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220560;MM220560;CCC(C)(C)CC(C)(C)F;QHVKRYTVSJBBPG-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220561;MM220561;CC(C)(F)CC(C)(C)CN;OHKGPAGMZPPNNC-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220562;MM220562;CC(C)(F)CC(C)(C)CO;PVBXRTBGAZVLCI-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220563;MM220563;CC(C)(F)CC(C)(C)CF;MITLUQXOGMMBDS-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220564;MM220564;CCC(C)(C)CC(C)(F)F;ZMINIQOJRJYBOK-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220565;MM220565;CC(F)(F)CC(C)(C)CN;PSSVKMIIIJDISU-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220566;MM220566;CC(F)(F)CC(C)(C)CO;WOGMRPYSCBSYHD-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220567;MM220567;CC(F)(F)CC(C)(C)CF;PGRNEOHPUZQWGC-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220568;MM220568;CCC(C)(C)CC(F)(F)F;YAQQXCNNKIWDQP-UHFFFAOYSA-N;154.18;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220569;MM220569;CC(C)(CN)CC(F)(F)F;MJVFDBKICXWHTG-UHFFFAOYSA-N;155.16;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220570;MM220570;CC(C)(CO)CC(F)(F)F;SSDQSUZSZANDFD-UHFFFAOYSA-N;156.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220571;MM220571;CCC(C)(N)CC(C)(C)C;OTDJSDZDZQWCBI-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220572;MM220572;CC(C)(C)CC(C)(N)CN;BVOXMQKQPWSSMN-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220573;MM220573;CC(C)(C)CC(C)(N)CO;ZNHYHHFBJZDGGO-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220574;MM220574;CC(C)(C)CC(C)(N)CF;PTWTVJFKDCYEIF-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220575;MM220575;CCC(C)(N)CC(C)(C)N;FHHUAEYRXUDNIT-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220576;MM220576;CCC(C)(N)CC(C)(C)O;UGBFEPNKBXKCNS-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220577;MM220577;CC(C)(O)CC(C)(N)CO;BVLQFGZKWBKUCL-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220578;MM220578;CCC(C)(N)CC(C)(C)F;KTANSCPIFDCMOW-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220579;MM220579;CC(C)(F)CC(C)(N)CF;WXKGKOHAMMSDGI-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220580;MM220580;CCC(C)(N)CC(C)(F)F;NEJQQJGMOQWIED-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220581;MM220581;CC(F)(F)CC(C)(N)CN;HKGMVGWSDNYIAV-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220582;MM220582;CC(F)(F)CC(C)(N)CF;XGWAPBRQDRBANG-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220583;MM220583;CCC(C)(N)CC(F)(F)F;IOKPFQZNGZZKRI-UHFFFAOYSA-N;155.16;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220584;MM220584;CC(N)(CO)CC(F)(F)F;ZMBJNWJGCIGRNW-UHFFFAOYSA-N;157.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220585;MM220585;C=NN=C(C)N(O)CC;MBEXVECYMDURQU-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220586;MM220586;CC(C)(C)CC(C)(O)CN;MNMSLMWWEWTOQF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220587;MM220587;CC(C)(C)CC(C)(O)CO;GPORQXXDDLVISL-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220588;MM220588;CC(C)(C)CC(C)(O)CF;VGVMBKRIHWYHBN-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220589;MM220589;CCC(C)(O)CC(C)(C)N;GUYSBBYMGPZWHW-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220590;MM220590;CC(C)(N)CC(C)(O)CO;SEKZROJEJWTGKX-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220591;MM220591;CCC(C)(O)CC(C)(C)O;MHNYUMPVQKTSLK-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220592;MM220592;CCC(C)(O)CC(C)(C)F;JZRDRZIRBBHFFX-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220593;MM220593;CC(C)(F)CC(C)(O)CO;FLFLBERPGFBHCV-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220594;MM220594;CCC(C)(O)CC(C)(F)F;FSZDQVDENYADHU-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220595;MM220595;CCC(C)(F)CC(C)(C)C;ZRJVJBHQLCCITM-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220596;MM220596;CC(C)(C)CC(C)(F)CN;IJSIALHQQHICTM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220597;MM220597;CC(C)(C)CC(C)(F)CO;MIXHSQDZDWEOSV-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220598;MM220598;CCC(C)(F)CC(C)(C)N;BUGPGRBMIHIUDQ-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220599;MM220599;CC(C)(N)CC(C)(F)CF;BSKUHTGIUJAWGX-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220600;MM220600;CCC(C)(F)CC(C)(C)O;VQEFJAOEXSXSGH-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220601;MM220601;CCC(C)(F)CC(C)(C)F;VAPVNTIAAHQTRR-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220602;MM220602;CC(C)(F)CC(C)(F)CN;HEOCAZSLEQGJIO-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220603;MM220603;CC(C)(F)CC(C)(F)CO;OJVFLFTWMGOTLG-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220604;MM220604;CCC(C)(F)CC(C)(F)F;AVJQGEJYNVXTAY-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220605;MM220605;CC(F)(F)CC(C)(F)CN;TZEYITBJPIFDDA-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220606;MM220606;CC(F)(F)CC(C)(F)CF;ICSCTZWBBZHOOQ-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220607;MM220607;CCC(C)(F)CC(F)(F)F;IBYCPUBEVSKXIA-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220608;MM220608;CC(F)(CO)CC(F)(F)F;LXBZQBYHWOSAPB-UHFFFAOYSA-N;160.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220609;MM220609;CCC(F)(F)CC(C)(C)C;CFZFFXRKEOOOKN-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220610;MM220610;CCC(F)(F)CC(C)(C)N;VJCWDGUDUNROAP-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220611;MM220611;CC(C)(N)CC(F)(F)CF;ABSSKNKULLMVMB-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220612;MM220612;CCC(F)(F)CC(C)(C)O;KGXJOXXQZFNNTF-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220613;MM220613;CCC(F)(F)CC(C)(C)F;HBJUGCGJBGMHGC-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220614;MM220614;CCC(F)(F)CC(C)(F)F;XLDULKBTQUUSCI-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220615;MM220615;CC(F)(F)CC(F)(F)CO;OETBZYRAJYIXEZ-UHFFFAOYSA-N;160.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220616;MM220616;CCC(F)(F)CC(F)(F)F;AQUOXSKXTDCRCV-UHFFFAOYSA-N;162.1;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220617;MM220617;OCC(F)(F)CC(F)(F)F;YMJVHGUGYNDUJU-UHFFFAOYSA-N;164.07;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220618;MM220618;CNC(C)(C)CC(C)(C)C;GSIDBWUSWHJWQS-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220619;MM220619;CNC(C)(C)CC(C)(C)N;PYHRDESCFBNHEL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220620;MM220620;CNC(C)(C)CC(C)(C)O;UKGCUNKDHNMJLO-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220621;MM220621;CNC(C)(C)CC(C)(C)F;DNQZFUQSGLWYLV-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220622;MM220622;CNC(C)(C)CC(C)(F)F;CJQJJSYSWLQASQ-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220623;MM220623;CNC(C)(C)CC(F)(F)F;DWKBPRJDGJXHMS-UHFFFAOYSA-N;155.16;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220624;MM220624;COC(C)(C)CC(C)(C)C;IKZVAPMTXDXWMX-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220625;MM220625;COC(C)(C)CC(C)(C)N;AFZJPAIXPOBYMI-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220626;MM220626;COC(C)(C)CC(C)(C)O;CANXXNRQORWUGQ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220627;MM220627;COC(C)(C)CC(C)(C)F;YGVAESXTXNBSMF-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220628;MM220628;COC(C)(C)CC(C)(F)F;SVBQIQBLGBLRMV-UHFFFAOYSA-N;152.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220629;MM220629;COC(C)(C)CC(F)(F)F;ZLYRBJLOQGMWIG-UHFFFAOYSA-N;156.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220630;MM220630;CCC(C)(C)NC(C)(C)C;KZOPSPQZLMCNPF-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220631;MM220631;CC(C)(C)NC(C)(C)CN;JXAXXWMELIICNI-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220632;MM220632;CC(C)(C)NC(C)(C)CF;ZTRVQZMZVXRJAZ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220633;MM220633;CCC(C)(C)OC(C)(C)C;HSTHNOSSHJYNOT-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220634;MM220634;CC(C)(C)OC(C)(C)CN;XNPKKGJAYKMZBS-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220635;MM220635;CC(C)(C)OC(C)(C)CO;RDPTVDNOGCEGHL-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220636;MM220636;CC(C)(C)OC(C)(C)CF;DCOUKMAOHLWZML-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220637;MM220637;C=CC(C)(C)CC(C)(C)C;SJVYRHWXSFCDDU-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220638;MM220638;CC(C)(C)CC(C)(C)C=O;BGLJFMQCDIJJSS-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220639;MM220639;CC(C)(C)CC(C)(C)C#N;UEDKSMIHDDPTAG-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220640;MM220640;C=CC(C)(C)CC(C)(C)N;SBQWCWAAJRJUIQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220641;MM220641;CCOC(C=NN)CO;JHIRIYHUKYZCSN-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220642;MM220642;CC(C)(O)CC(C)(C)C=O;HBBPRPVKRROESO-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220643;MM220643;CC(C)(O)CC(C)(C)C#N;ZRUZNQLOMHHWOP-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220644;MM220644;C=CC(C)(C)CC(C)(C)F;QOOLEWBOJXHLEE-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220645;MM220645;CC(C)(F)CC(C)(C)C=O;CFTKZCQTCKQMBN-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220646;MM220646;CC(C)(F)CC(C)(C)C#N;NSDGHFWYZOLVDJ-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220647;MM220647;C=CC(C)(C)CC(C)(F)F;NNSKGKWYSNLNSE-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220648;MM220648;CC(F)(F)CC(C)(C)C=O;XUXXEPVVSPFEGU-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220649;MM220649;CC(F)(F)CC(C)(C)C#N;IPRGAXZCMXADTN-UHFFFAOYSA-N;147.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220650;MM220650;C=CC(C)(C)CC(F)(F)F;HWDYASJILHMNBE-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220651;MM220651;CC(C)(C#N)CC(F)(F)F;CRJCCJXMKBCEJD-UHFFFAOYSA-N;151.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220652;MM220652;C=CC(C)(N)CC(C)(C)C;JCEUWVNIFYTAAT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220653;MM220653;C=CC(C)(N)CC(C)(C)F;CUSLVACXBGYQPB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220654;MM220654;C=CC(C)(N)CC(F)(F)F;RAZWYAQJWHQSAS-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220655;MM220655;C=NOC(CO)C(C)C;LHQNFQULEOMHAH-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220656;MM220656;CC(C)(C)CC(C)(O)C=O;NGSGQLXNRIBANX-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220657;MM220657;CC(C)(C)CC(C)(O)C#N;JWXWGRRCYXSZLE-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220658;MM220658;C=CC(C)(O)CC(C)(C)O;CVCPRQBVFCVAQA-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220659;MM220659;CC(C)(O)CC(C)(O)C=O;HARSCRKNBCISBG-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220660;MM220660;C=CC(C)(O)CC(C)(C)F;XOIRYMVHYYJUDH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220661;MM220661;CC(C)(F)CC(C)(O)C=O;AWURIWMCVCKFTH-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220662;MM220662;CC(C)(F)CC(C)(O)C#N;UOXBPVMRSLPQTO-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220663;MM220663;C=CC(C)(O)CC(C)(F)F;WJGZVUQEFQJSMQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220664;MM220664;CC(F)(F)CC(C)(O)C=O;HGBWICAFLHRSTE-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220665;MM220665;CC(F)(F)CC(C)(O)C#N;HMLGLUGAWMXTJC-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220666;MM220666;C=CC(C)(O)CC(F)(F)F;IXABEJBEANINIJ-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220667;MM220667;C=CC(C)(F)CC(C)(C)C;FPHUOYOZCZOVPV-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220668;MM220668;CC(C)(C)CC(C)(F)C#N;YWYVAZHPJBLOES-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220669;MM220669;C=CC(C)(F)CC(C)(C)N;YCPQSJVFPJNJEM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220670;MM220670;CC(C)(O)CC(C)(F)C=O;VCVHXGDKZNIMOQ-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220671;MM220671;CC(C)(O)CC(C)(F)C#N;LFFMERIDYCRMPA-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220672;MM220672;C=CC(C)(F)CC(C)(C)F;VFOBMNJSUXZIHQ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220673;MM220673;CC(F)(F)CC(C)(F)C#N;DZHNVBZOIBMVBQ-UHFFFAOYSA-N;151.13;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220674;MM220674;CC(C)(O)CC(F)(F)C=O;MSUBDQCHALNACZ-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220675;MM220675;O=CC(F)(F)CC(F)(F)F;RUZHFRDBMVSBLE-UHFFFAOYSA-N;162.06;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220676;MM220676;N#CC(F)(F)CC(F)(F)F;SEBHMXDLRPUABF-UHFFFAOYSA-N;159.06;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220677;MM220677;C=CC(C)(C)NC(C)(C)C;SXGXCSASZBCDRM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220678;MM220678;CC(C)(C)NC(C)(C)C=O;YACGWFQGKVNYCJ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220679;MM220679;CC(C)(C)NC(C)(C)C#N;NUIUDJHVYOUHFR-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220680;MM220680;C=CC(C)(C)OC(C)(C)C;LVNSRZGRRLNAPK-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220681;MM220681;CC(C)(C)OC(C)(C)C#N;AJAQNZNTKPRTFD-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220682;MM220682;C#CC(C)(C)CC(C)(C)C;RUQGCNAGLXPEBR-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220683;MM220683;C#CC(C)(C)CC(C)(C)N;NMJJETPWZFHCRC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220684;MM220684;C=C1CN(O)C(=N)C1=O;KFSSFLMSUMFZMF-UHFFFAOYSA-N;126.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220685;MM220685;C#CC(C)(C)CC(C)(C)F;MKBZGCUPYLDLSZ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220686;MM220686;C#CC(C)(C)CC(C)(F)F;ZHNMRUKQABBQFJ-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220687;MM220687;C#CC(C)(C)CC(F)(F)F;QIGPGXXIBQYCNL-UHFFFAOYSA-N;150.14;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220688;MM220688;C#CC(C)(N)CC(C)(C)C;MXLWOXDJUDLAPN-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220689;MM220689;C#CC(C)(N)CC(C)(C)F;LJPGGFNKMGAMJE-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220690;MM220690;C#CC(C)(N)CC(C)(F)F;DHHKRKOSSZKCDI-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220691;MM220691;C#CC(C)(N)CC(F)(F)F;YYMTZWWUYBLFSX-UHFFFAOYSA-N;151.13;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220692;MM220692;C#CC(C)(O)CC(C)(C)C;RVDGPDCTBHVNFE-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220693;MM220693;C#CC(C)(O)CC(C)(C)F;MTSBBVJOKBPKDV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220694;MM220694;C#CC(C)(O)CC(C)(F)F;DHUGTNMBTIXSEK-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220695;MM220695;C#CC(C)(O)CC(F)(F)F;UTACSDFIMCQQEA-UHFFFAOYSA-N;152.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220696;MM220696;C#CC(C)(F)CC(C)(C)C;OPFVKUKYDYSOMH-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220697;MM220697;C#CC(C)(F)CC(C)(C)N;JCYXLLBHLDRYGB-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220698;MM220698;C#CC(C)(F)CC(C)(C)F;UZOVPSPSUCPVDT-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220699;MM220699;C#CC(C)(F)CC(C)(F)F;ALAPQBAJXVCFEK-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220700;MM220700;C#CC(C)(C)NC(C)(C)C;YXIAJHJGVGZXCG-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220701;MM220701;C#CC(C)(C)OC(C)(C)C;KUPBTDACDOCNET-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220702;MM220702;CC(N)C(CF)C(C)(C)C;KFBYJWUQEHULRO-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220703;MM220703;CCC(C(C)C)C(C)(C)N;FESPSOUQMIGZKM-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220704;MM220704;CC(C)C(CF)C(C)(C)N;IGFMCUALVOIZTC-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220705;MM220705;CCC(C(C)O)C(C)(C)N;UKFYALWIERHGQR-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220706;MM220706;CCC(C(C)F)C(C)(C)N;MWXWBHKYZXDXIS-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220707;MM220707;CC(F)C(CF)C(C)(C)N;GOVAPVIXNANONC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220708;MM220708;CC(C)(N)C(CN)C(F)F;WFDVBNGRIYLBPY-UHFFFAOYSA-N;152.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220709;MM220709;CC1=NN(C)CCN1O;JCAZGMLSICZDRC-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220710;MM220710;CC(C)C(CO)C(C)(C)O;HWABDWFWKVAHTH-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220711;MM220711;CC(C)C(CF)C(C)(C)O;LEHHXVWJSDKHCU-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220712;MM220712;CCC(C(C)N)C(C)(C)O;IUIWLDHXYNPJST-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220713;MM220713;CCC(C(C)O)C(C)(C)O;PLWQDACNHXVVLS-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220714;MM220714;CCC(C(C)F)C(C)(C)O;FVGNJEADLYWBPH-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220715;MM220715;CC(F)C(CO)C(C)(C)O;FVWSSSGOAKGDOF-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220716;MM220716;CC(C)(O)C(CN)C(F)F;WOMFEHFDPNLUDI-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220717;MM220717;CC(C)(O)C(CO)C(F)F;WFHBZEPOSKYQGT-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220718;MM220718;CC(C)C(CN)C(C)(C)F;GIIWUKFQLPKQEO-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220719;MM220719;CCC(C(C)N)C(C)(C)F;OSHFTXRBKBOBAM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220720;MM220720;CC(N)C(CN)C(C)(C)F;FLALXJNVSHRORH-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220721;MM220721;CC(N)C(CF)C(C)(C)F;RNALEUZKCZWWAO-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220722;MM220722;CC(F)C(CN)C(C)(C)F;PMHCHMTXKADSJP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220723;MM220723;CC(C)C(CN)C(C)(F)F;MAVPRIOHQNABQD-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220724;MM220724;CC(N)C(CO)C(C)(F)F;IBXHLKIGXRWSPZ-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220725;MM220725;CNC(C(C)N)C(C)(C)C;FWZRDFNNDFYUCE-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220726;MM220726;CNC(C(C)O)C(C)(C)C;LMPJFWPUXUQUHP-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220727;MM220727;CNC(C(C)C)C(C)(C)N;BIVICLILBCGCBI-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220728;MM220728;CNC(C(C)C)C(C)(C)O;HTIJATOHDWJIEA-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220729;MM220729;CNC(C(C)F)C(C)(C)O;CHOKPOJJOHWFAZ-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220730;MM220730;CNC(C(C)C)C(C)(C)F;MLGFEHYFOUFNEH-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220731;MM220731;COC(C(C)C)C(C)(C)N;SXZIEMNEEGCONY-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220732;MM220732;COC(C(C)N)C(C)(C)N;UEPVPWXSZRYJSM-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220733;MM220733;COC(C(C)F)C(C)(C)O;PADXIXXHAYLJBQ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220734;MM220734;COC(C(C)N)C(C)(C)F;NUPMHISNPOKVIJ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220735;MM220735;COC(C(C)N)C(C)(F)F;ASSPKCUGXZCUEG-UHFFFAOYSA-N;153.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220736;MM220736;COC(C(C)O)C(C)(F)F;UTBQMDCEKJMDBA-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220737;MM220737;COC(C(C)N)C(F)(F)F;SYUZOKZALHQWOV-UHFFFAOYSA-N;157.14;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220738;MM220738;COC(C(F)F)C(F)(F)F;LLLKOOLOQRBDSS-UHFFFAOYSA-N;164.07;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220739;MM220739;CN(C)C(CO)C(C)(C)N;WLIAZEYVVSEOBR-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220740;MM220740;OCC12CC(O)CC1N2;JVXHMTBMBQYYDU-UHFFFAOYSA-N;129.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220741;MM220741;CC(C)C(C=O)C(C)(C)C;XECQDVZTQRJDFJ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220742;MM220742;CC(O)C(C=O)C(C)(C)C;LKBOSCWNNNBXNG-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220743;MM220743;CC(F)C(C=O)C(C)(C)C;IHEJQBDXMKHWHT-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220744;MM220744;C=CC(C(F)F)C(C)(C)C;DGSRSXPPTAMECB-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220745;MM220745;C=CC(C(C)C)C(C)(C)N;KGDLQBSRWDAYCJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220746;MM220746;C=CC(C(C)N)C(C)(C)N;LQLDTRUCMBKYQO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220747;MM220747;C=CC(C(F)F)C(C)(C)N;FKWJVRBRZISQSG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220748;MM220748;CNc1[nH]nc(N)c1F;RCYPDRNGEZDKTC-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220749;MM220749;CC(C)C(C#N)C(C)(C)O;MKYYWTHRAJTKPL-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220750;MM220750;CC(F)C(C=O)C(C)(C)O;KUWCLKHZAQFQQI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220751;MM220751;C=CC(C(F)F)C(C)(C)O;NPEQYJZZCGBKEW-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220752;MM220752;CC(C)C(C=O)C(C)(C)F;MKNXEFLFSSONOR-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220753;MM220753;C=CC(C(C)N)C(C)(C)F;YUZZZSHLHGMHJP-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220754;MM220754;CC(O)C(C#N)C(C)(C)F;MJZRMTVUBAFLOB-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220755;MM220755;CC(O)C(C#N)C(F)(F)F;XTKCPJDZCJUMCH-UHFFFAOYSA-N;153.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220756;MM220756;N#CC(C(F)F)C(F)(F)F;CJCIYJXZKPBPEK-UHFFFAOYSA-N;159.06;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220757;MM220757;CN(C)C(C#N)C(C)(C)F;ROIZCPRSTBTIPP-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220758;MM220758;CN(C)C(C#N)C(C)(F)F;UJZHBNMYKAFSCD-UHFFFAOYSA-N;148.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220759;MM220759;CC(C)N(C=O)C(C)(C)C;HSFRRMUSEXYXMJ-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220760;MM220760;C=NN(C(C)C)C(C)(C)C;XLTDNGQBMVLJTB-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220761;MM220761;C#CC(C(C)C)C(C)(C)N;ZRELGBQJYFSVGS-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220762;MM220762;C#CC(C(C)O)C(C)(C)N;HMVLFTIQOJEXLI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220763;MM220763;C=Cc1[nH]nc(N)c1F;FRSKLCTVIKSJQM-UHFFFAOYSA-N;127.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220764;MM220764;C#CC(N(C)C)C(C)(C)N;GHVVHPJQTMUDJH-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220765;MM220765;C#CC(N(C)C)C(F)(F)F;SNJMBZFOCWWBOM-UHFFFAOYSA-N;151.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220766;MM220766;CNN(C=O)C(=O)CF;GGLRSFFCCWLWKE-UHFFFAOYSA-N;134.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220767;MM220767;C=C(F)C(CF)C(C)(C)N;DHNVIMKVQAHFOD-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220768;MM220768;C=C(C)C(CN)C(C)(C)O;APVPZSJANDWPDO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220769;MM220769;C=C(C)C(CF)C(C)(C)O;OOQIBURIEPEMMC-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220770;MM220770;CCC(C(=N)N)C(C)(C)O;NEVDKBQEMGJIPZ-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220771;MM220771;CC(C)(O)C(CF)C(=N)N;SXTKZKKBCMPXBE-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220772;MM220772;CCC(C(N)=O)C(C)(C)O;ORGDGYFRTRZJGS-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220773;MM220773;C=CCc1n[nH]c(=N)o1;GWXZWTPXMFNNDW-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220774;MM220774;CC(C)(F)C(CO)C(=N)N;RPTDVVPCXNKORA-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220775;MM220775;CC(C)(F)C(CF)C(=N)N;RUJQDTMJNYTQMI-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220776;MM220776;CCC(C(N)=O)C(C)(C)F;WNLXJBBLBAWPLH-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220777;MM220777;C=C(C)C(CN)C(C)(F)F;OSWYMOMXCBUZCE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220778;MM220778;O=c1cnc(=O)[nH]nn1;QQVPBDTZQVVAEZ-UHFFFAOYSA-N;126.08;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220779;MM220779;C=C(C)C(NC)C(C)(C)C;KGQULXCZFPWZEI-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220780;MM220780;CNC(C(C)=O)C(C)(C)C;UZMRPAGFKAXTAQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220781;MM220781;C=C(F)C(NC)C(C)(C)N;UHTAZIDJWULTJA-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220782;MM220782;C=C(C)C(NC)C(C)(C)F;ZUPGQAOXRVZZSL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220783;MM220783;CNC(C(=N)N)C(C)(C)F;WEZRUMLQBYHFGK-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220784;MM220784;COC(C(=N)N)C(C)(C)N;NHWRQHHHZAZNCZ-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220785;MM220785;COC(C(C)=O)C(C)(C)O;YKHDFALHYNZKJV-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220786;MM220786;COC(C(N)=O)C(C)(C)O;TYTWGUAVGJTYMR-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220787;MM220787;COC(C(C)=O)C(C)(C)F;LVVHSTQHFHZZCA-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220788;MM220788;COC(C(N)=O)C(C)(C)F;AZRFHQFXERAPEJ-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220789;MM220789;CN=c1nc[nH]c(=O)nn1;LIUIGKWUKZXDMA-UHFFFAOYSA-N;139.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220790;MM220790;COC(C)CC(C)C(=O)O;FHYPVQUMWRSVPD-UHFFFAOYSA-N;146.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220791;MM220791;CCN(C(=N)N)C(C)(C)C;QPOAHCOWRKTEER-UHFFFAOYSA-N;143.23;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220792;MM220792;CON(C(=N)N)C(C)(C)C;ZETRMJUVNFCCED-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220793;MM220793;CON(C(N)=O)C(C)(C)C;IXZOUZGSPUTMRV-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220794;MM220794;C=C(C)C(C=O)C(C)(C)C;OOXJBHFBZJQPPJ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220795;MM220795;C=CC(C(C)=O)C(C)(C)C;YHSLTXYGUBVQBL-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220796;MM220796;CC(C)(C)C(C=O)C(=N)N;ZUINZZHZZLSKEY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220797;MM220797;C=C(F)C(C=O)C(C)(C)C;QRJMDZASEHOWKH-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220798;MM220798;C=CC(C(=C)C)C(C)(C)N;CPSAHCDSLKZNHY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220799;MM220799;C=CC(C(=C)F)C(C)(C)N;RIHSMKPULPIWSW-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220800;MM220800;CNN=CC(CO)OC;HYZNADKIIBMIRH-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220801;MM220801;C=C(C)C(C=O)C(C)(C)O;IJXKAMHAZURDFC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220802;MM220802;CC(C)(O)C(C#N)C(N)=O;IHXYTKZXQVBSLA-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220803;MM220803;C=C(F)C(C=O)C(C)(C)O;QXUWVTWJIXXSAY-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220804;MM220804;C=C(C)C(C=O)C(C)(C)F;HDUZZUHPWXUVLR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220805;MM220805;C=CC(C(N)=O)C(C)(C)F;FMTJZOYLYDLYHM-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220806;MM220806;CC(=O)C(C#N)C(F)(F)F;QLYARNZICLFLCL-UHFFFAOYSA-N;151.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220807;MM220807;C=CN(C(C)=O)C(C)(C)C;OJTBJWCLDFYCED-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220808;MM220808;C#CC(C(=C)C)C(C)(C)N;WTVUOWKZVZQTIB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220809;MM220809;C#CC(C(=C)F)C(C)(C)N;KRZHHANBPIDMBG-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220810;MM220810;NN=C(C#CCF)NO;UYTKIIFOKWUNKO-UHFFFAOYSA-N;131.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220811;MM220811;C#CC(C(=C)F)C(C)(C)O;XCTDZEMSVYPQOC-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220812;MM220812;C#CC(C(=N)N)C(C)(F)F;ARJYILADPQKMEB-UHFFFAOYSA-N;146.14;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220813;MM220813;CC=C(C(C)O)C(C)(C)N;POAVIKJENWCPFI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220814;MM220814;CC(F)C(=CF)C(C)(C)N;FEVXSFBYINZJFX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220815;MM220815;CC=C(C(C)N)C(C)(C)O;KDWJRZBZQKJGGJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220816;MM220816;CC=C(C(C)O)C(C)(C)O;BESSITVDIZKGPQ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220817;MM220817;CC(O)C(=CF)C(C)(F)F;UUIDTWOPQLLKKW-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220818;MM220818;CC(C)C(=NO)C(C)(C)N;LZESXVOGSKCOIS-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220819;MM220819;NN=C1OCC(CO)O1;OMKSSGGZSLIVRG-UHFFFAOYSA-N;132.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220820;MM220820;CCN(O)C(=N)C(C)(C)F;KWEIRZPWSHTHBZ-UHFFFAOYSA-N;148.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220821;MM220821;C=CC(C)(O)CC(C)=NN;WHWLRKMANKVUAN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220822;MM220822;CC=CC(C)(O)CC=NN;NBZYONBJELVPHX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220823;MM220823;CC=C(C(=N)N)C(C)(C)N;VTNWCPQGGFGXAL-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220824;MM220824;CC(C)(N)C(=CF)C(=N)N;VIUGDKZNRFQCLM-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220825;MM220825;CC(C)(O)C(=CN)C(N)=O;CYJMMXWVTCQCAW-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220826;MM220826;N=c1nc[nH]c(=O)nn1;LHXALFCBEWVKOU-UHFFFAOYSA-N;125.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220827;MM220827;O=c1ccnc2[nH][nH]nc1-2;DJQVPXPEXAWGRE-UHFFFAOYSA-N;136.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220828;MM220828;C=NN(C)C(C)(C)C(C)O;MHDTTYBXLPRVCU-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220829;MM220829;CCC(O)(CC)CC(=O)O;QFDBOMUFRUMJQP-UHFFFAOYSA-N;146.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220830;MM220830;CC(C)(O)C(=NN)C(=N)N;JKLOJVSJNQBNAT-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220831;MM220831;CCCC(C)(O)CC(=O)O;RGRNSTGIHROKJB-UHFFFAOYSA-N;146.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220832;MM220832;CCC(O)CC(C)C(=O)O;IEKOVOZDWRKMKM-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220833;MM220833;CC(C)=C(CO)C(C)(C)N;KDNJMDSDSCFSNE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220834;MM220834;CCC(=C(C)F)C(C)(C)N;REGMBPALFGZFHC-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220835;MM220835;CC(F)=C(CF)C(C)(C)N;MRLQDYWJEBMTAW-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220836;MM220836;CC(C)(N)C(CO)=C(F)F;CWRBVYNROSGFOY-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220837;MM220837;CC(C)=C(CF)C(C)(C)O;HQXIDNNUFZCUKW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220838;MM220838;CC(F)=C(CO)C(C)(C)O;XYVMZPKHZHGDEE-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220839;MM220839;CCC(=C(F)F)C(C)(C)O;ICSRSWHOSODEFG-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220840;MM220840;CC(C)(O)C(CN)=C(F)F;CZDNGYIJBYVIRY-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220841;MM220841;CC(F)=C(CN)C(C)(C)F;PTKOKMCBZXVWHC-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220842;MM220842;CC(F)=C(CO)C(C)(F)F;FZJATHNKLLJCIL-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220843;MM220843;CC(F)=C(CO)C(F)(F)F;JPWHAXHNPUIOEC-UHFFFAOYSA-N;158.09;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220844;MM220844;C=CC(=C(F)F)C(C)(C)N;KBKQAMIUOBKAOS-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220845;MM220845;CC(C)=C(C=O)C(C)(C)O;FJJCVJDEMPMFSX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220846;MM220846;CC(N)=C(C=O)C(C)(C)O;XWEJISXOBUTYRY-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220847;MM220847;C=C(C#N)NC(=N)C(N)=O;BCWOQGNVEYAUPK-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220848;MM220848;C=CC(=C(F)F)C(C)(C)O;KYWJAKRGDMDOJA-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220849;MM220849;CC(N)=C(C#N)C(C)(F)F;IGHTVKDOXPDKHR-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220850;MM220850;CC(F)=C(C#N)C(C)(F)F;BZIUXDMZGMTEAL-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220851;MM220851;CC(F)(F)C(C#N)=C(N)N;OWQSYQTXMQATKK-UHFFFAOYSA-N;147.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220852;MM220852;CC(N)=C(C#N)C(F)(F)F;VVQJVAWZBKZYBY-UHFFFAOYSA-N;150.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220853;MM220853;CC(F)=C(C#N)C(F)(F)F;SZSUJDUJRCBXMI-UHFFFAOYSA-N;153.08;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220854;MM220854;C=CC(=C(F)F)C(F)(F)F;ZCDCYQGPJYUNAR-UHFFFAOYSA-N;158.07;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220855;MM220855;CC(N)CCCC(C)(C)N;DUTNTXXLHBANPU-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220856;MM220856;CC(O)CCCC(C)(C)N;YTGOKKVBTFEILQ-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220857;MM220857;CC(C)(N)CCCC(F)F;PGKSYRXQTFXJJZ-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220858;MM220858;CC(N)CCCC(C)(C)O;LREQLEBVOXIEOM-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220859;MM220859;C=C(F)C#CC(=N)N(C)O;MQBBXDSCDNIUDR-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220860;MM220860;CC(O)C=NOC(=N)NN;CWAHTPMYWOJGNU-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220861;MM220861;CC(N)CCCC(C)(F)F;UEEKZSMOLALNLU-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220862;MM220862;CC(F)(F)CCCC(F)F;OCOCJQFXSQTMIX-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220863;MM220863;CC(F)CNCC(C)(C)C;TZASKAFHNUUDSE-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220864;MM220864;CC(C)CNCC(C)(C)N;WOSHILXKQWZTGH-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220865;MM220865;CC(C)CNCC(C)(C)O;RHZQTDQCOWCWEH-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220866;MM220866;CC(C)(F)CNCC(F)F;OLDPKOIIHUEMDD-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220867;MM220867;CC(F)COCC(C)(C)N;OKMWNSAIVZGRJS-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220868;MM220868;CC(C)(N)COCC(F)F;YMKCCKAGQQHZKA-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220869;MM220869;CC(O)COCC(C)(C)O;BSKJKIKEUILIPD-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220870;MM220870;CC(F)COCC(C)(C)O;NIMQQEKQPKGEPB-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220871;MM220871;CC(N)COCC(C)(F)F;LJASLIOKFYSFOI-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220872;MM220872;CC(O)COCC(C)(F)F;OFUDGLYEDXLOFZ-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220873;MM220873;CC(N)COCC(F)(F)F;MIBKGSONRCOKNX-UHFFFAOYSA-N;157.14;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220874;MM220874;CC(O)COCC(F)(F)F;YLLOMQJXZDDAGS-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220875;MM220875;CC(C)NCCC(C)(C)N;ANKWRVSWTAWBKD-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220876;MM220876;CC(C)NCCC(C)(C)O;FHVUKJWVRBKVRQ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220877;MM220877;CC(C)NCCC(C)(F)F;HWJJSFJTIMWCSG-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220878;MM220878;CC(C)NCCC(F)(F)F;LMJAALTWYJTKBG-UHFFFAOYSA-N;155.16;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220879;MM220879;CC(C)OCCC(C)(C)O;NALBPLUBKABEAE-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220880;MM220880;CN(C)CCOC(C)(C)C;MHFHCXBHWFKBKE-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220881;MM220881;CC(=O)CN(O)C(=N)CF;BKTQWIRNAINEJU-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220882;MM220882;N#CC(=NO)C1CC1F;UAGRKTBNNKHVIU-UHFFFAOYSA-N;128.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220883;MM220883;CC(=N)N=C(NO)C(N)=O;GJKXBEMWOQATLB-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220884;MM220884;C=C(C)CCCC(C)(F)F;WTNOWYBAHQBOET-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220885;MM220885;CC(F)(F)CCCC(=O)O;MOJFHPZLBFISOD-UHFFFAOYSA-N;152.14;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220886;MM220886;C=C(C)CCCC(F)(F)F;MCYRIEJBDNIFOU-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220887;MM220887;NC(=O)CCCC(F)(F)F;FYLZPFSWVMMCQC-UHFFFAOYSA-N;155.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220888;MM220888;O=C(O)CCCC(F)(F)F;RUEXKRNFAABHHU-UHFFFAOYSA-N;156.1;1.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220889;MM220889;C=C(C)CNCC(C)(C)C;NHMPCTZKFCLLKD-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220890;MM220890;CC(=O)CNCC(C)(C)C;ORFSGGHKNOMWHG-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220891;MM220891;N=C(N)CNCC(F)(F)F;FQRPGCORGVOQPL-UHFFFAOYSA-N;155.12;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220892;MM220892;CC(C)(C)COCC(=N)N;ZEBSPHXZUNJNKV-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220893;MM220893;CC(C)(C)COCC(N)=O;RZZFVRZKJCWRSB-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220894;MM220894;CC(C)(N)COCC(=N)N;WSADIXGBUKOGJD-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220895;MM220895;C=C(F)COCC(C)(C)N;GBRFMVPCHBCESX-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220896;MM220896;C=C(C)COCC(C)(C)O;SFMVCCDZNSAOMY-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220897;MM220897;CC(C)(O)COCC(=N)N;SHJGUMMURTVWPP-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220898;MM220898;CC(C)(O)COCC(N)=O;CWUBQPUICCREBJ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220899;MM220899;C=C(F)COCC(C)(C)O;YGYYTVJOZILUHV-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220900;MM220900;CC(C)(F)COCC(N)=O;ZKMOFNZOHYFJAT-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220901;MM220901;CC(CCCCO)C(=O)O;WZNXBMDGFRTUOZ-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220902;MM220902;CC(=O)COCC(C)(F)F;MJONZMNPZVGYJZ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220903;MM220903;CC(F)(F)COCC(=N)N;UDIQBGSLKKLTQD-UHFFFAOYSA-N;152.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220904;MM220904;N#CC(CNC(N)=O)=NO;JPIHCCSYRZPFMQ-UHFFFAOYSA-N;142.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220905;MM220905;NN=c1[nH]c(=O)nnn1N;SGIGFFSSPNJMJN-UHFFFAOYSA-N;143.11;-3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220906;MM220906;CC(=O)NCCC(C)(C)N;WKEAKBZMCRYHDQ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220907;MM220907;CC(C)(N)CCNC(=N)N;VYLBSRYBBMSEPJ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220908;MM220908;CC(C)(N)CCNC(N)=O;NBESGRYBDCFOAS-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220909;MM220909;CC(C)(O)CCNC(=N)N;FIGIUQAZJJUKDV-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220910;MM220910;CC(C)(O)CCNC(N)=O;LHSIWRKXLMJFOK-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220911;MM220911;CC(=N)NCCC(C)(C)F;ZNXLAJKEDSGAAT-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220912;MM220912;CC(=O)NCCC(C)(C)F;AZKQNANIAJOMBP-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220913;MM220913;CC(C)(F)CCNC(N)=O;WRZDPMLKCCESQR-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220914;MM220914;CC(=O)NCCC(C)(F)F;ARLAFUWQDMLTRQ-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220915;MM220915;CC(F)(F)CCNC(=N)N;QFJDOPYOTGRDAT-UHFFFAOYSA-N;151.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220916;MM220916;NC(=O)OCON=CNO;UNIKJYVEVRFRFB-UHFFFAOYSA-N;149.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220917;MM220917;CC(C)(N)CNNC(=N)N;HTEXIWNGRXISQH-UHFFFAOYSA-N;145.21;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220918;MM220918;CC(C)(N)CNNC(N)=O;QGLMPPLHLVGZND-UHFFFAOYSA-N;146.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220919;MM220919;CC(O)C=NOCCC=O;LPXJDCLTUPNALC-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220920;MM220920;CC(=N)NNCC(C)(C)F;NBBUTEGIGKGPHY-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220921;MM220921;CNN=CON=CC(C)O;MMMOWRHFVMDTHV-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220922;MM220922;CC(F)(F)CNNC(N)=O;ZGDJACMTLZYIOI-UHFFFAOYSA-N;153.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220923;MM220923;CC(=O)NOCC(C)(C)C;OZMUGBGMQSBPKZ-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220924;MM220924;CC(C)(C)CONC(N)=O;KMRWYNIUMGRSDM-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220925;MM220925;CC(C)(N)CONC(=N)N;WIHATBBCFJVGEP-UHFFFAOYSA-N;146.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220926;MM220926;CC(=N)NOCC(C)(C)O;YQPXAXJXEQSFPR-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220927;MM220927;CC(C)(O)CONC(=N)N;YXSLPDSARMQKLG-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220928;MM220928;CC(C)(O)CONC(N)=O;LGNHKWKGXIFCAJ-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220929;MM220929;CC(C)(F)CONC(=N)N;IRSGVTGCBZUVOE-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220930;MM220930;CC(F)(F)CONC(=N)N;PBBRHUNZRLQBTO-UHFFFAOYSA-N;153.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220931;MM220931;CC(C)(C)CCOC(N)=O;DOBPAXBDQAYQMF-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220932;MM220932;CC(C)(N)CCOC(=N)N;MEZQJWPBWMPIFS-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220933;MM220933;CC(=O)OCCC(C)(C)O;BPPVFJVSDUZRPX-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220934;MM220934;CC(C)(O)CCOC(=N)N;DVXVKIPNVPKOGL-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220935;MM220935;N=C(N)OCCC(F)(F)F;FRMWMOBGJKCYTC-UHFFFAOYSA-N;156.11;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220936;MM220936;CC(C)(C)OCCC(=N)N;CNULOTKRQSIKDL-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220937;MM220937;CC(C)(C)OCCC(N)=O;ZJSNYJSSWTYQOZ-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220938;MM220938;CN=c1[nH]c(=O)nnn1O;GLILWFCASWGFHY-UHFFFAOYSA-N;143.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220939;MM220939;C=C(C)OCOC(C)(C)C;CIPFBGDWZAXRTG-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220940;MM220940;CC(C)C=CCC(C)(C)N;SQIIIYFLCHBYIA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220941;MM220941;CC(N)C=CCC(C)(C)N;XXBQKLRTMSBNLV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220942;MM220942;CC(O)C=CCC(C)(C)N;WZTFWZYPUCCYNX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220943;MM220943;CC(F)C=CCC(C)(C)N;KKRHWIHKNIHEJM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220944;MM220944;C=NN=CON=CC(C)O;XIIFYBKITMHNOD-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220945;MM220945;CC(N)C=CCC(C)(C)O;VMUISIKJIVOHCK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220946;MM220946;CC=CN(O)C=NC=NC;GNRYCBYGADMRLL-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220947;MM220947;CC(N)C=CCC(C)(C)F;CEJNYMBTIOLEOL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220948;MM220948;CNN=C(C)N(O)CCF;XGIGLYBLXHFTPY-UHFFFAOYSA-N;149.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220949;MM220949;CC(N)C=CCC(C)(F)F;VXGUGNFVPDVPIT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220950;MM220950;CC(C)C=NNC(C)(C)C;MFSDNUOYGDNRPZ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220951;MM220951;CC#CC#CC(=N)N(C)O;ONXGFDMMPDAORC-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220952;MM220952;CCCN(O)C(=N)C(C)F;MPQQMNYKICJMDD-UHFFFAOYSA-N;148.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220953;MM220953;CN(C)N=CCC(C)(C)N;GSTKKFIOYFWAAY-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220954;MM220954;CN(C)N=CCC(C)(C)F;IXWWWPSKOMXLPS-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220955;MM220955;CN(C)N=CCC(C)(F)F;BLLBOVVPCLUUIJ-UHFFFAOYSA-N;150.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220956;MM220956;CN(N)C=NOC(C)(C)C;ARDMLRWDJPLYQE-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220957;MM220957;CC1(C)NC1C(C#N)C=O;ROVZYPOLFIUHGJ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220958;MM220958;CN(C)N=COC(C)(C)C;KCYMMYSCDWWZDU-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220959;MM220959;C=C(C)C=CCC(C)(C)N;MOZNGNUWCOJCBM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220960;MM220960;CC(C)(N)CC=CC(=N)N;MOAVIFOBUYSUHI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220961;MM220961;CC(C)(N)CC=CC(N)=O;WQQUCHWQGNUJBR-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220962;MM220962;C=C(CO)C1NC1(C)CO;QRBLHLHKMQCXKS-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220963;MM220963;CC(C)(O)CC=CC(=N)N;LIUDVCRVSUJLLU-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220964;MM220964;OCc1cc(O)n(O)n1;BWWQHNBDARNXRJ-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220965;MM220965;CC(=O)C=CCC(C)(C)F;JPFSRBMTAPVIRA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220966;MM220966;CC(C)(F)CC=CC(=N)N;UMNFXRXNERAXPY-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220967;MM220967;CC(F)(F)CC=CC(=N)N;QKALZKBVWNKPJK-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220968;MM220968;COC(C=NN(C)C)CO;BXKVNOYOWANERO-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220969;MM220969;CC(F)(F)CC=CC(=O)O;WZASYYHBOBVALF-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220970;MM220970;CC(=O)C=CNC(C)(C)C;XKJCOKCJVCRUCC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220971;MM220971;C=C(C)C=NNC(C)(C)C;VCAXFCCRAJIXIW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220972;MM220972;CCC(F)C(=N)N(O)CC;VUDFZPATPOFGDW-UHFFFAOYSA-N;148.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220973;MM220973;N=C(CF)N(O)CCC=O;ZGOALWSDPCHFEJ-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220974;MM220974;Cn1oc(O)c(F)c1=NN;BLGKTJFWGMJZQZ-UHFFFAOYSA-N;147.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220975;MM220975;CC(C)(C)OC=CC(=N)N;KLFWKSOKLNZRIB-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220976;MM220976;CC=NN=C(C)N(O)CC;OPDOXQMUIUTKPZ-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220977;MM220977;CC(C)(C)ON=CC(=N)N;VBPAMUBMKXHAOE-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220978;MM220978;CC(N)C#CCC(C)(C)N;SNGGDMGKSZARAH-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220979;MM220979;CC(F)C#CCC(C)(C)N;TUDQPQDSLPQTBD-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220980;MM220980;CC(=O)C#CCC(C)(C)C;BWWZVJLIPIVMDW-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220981;MM220981;CC(C)(N)CC#CC(=N)N;GOKCQJFWHCIUKW-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220982;MM220982;CC(C)(N)CC#CC(N)=O;XBZULIBLVSFEPQ-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220983;MM220983;CCNN(C=O)C(=O)CF;XHAOTGOLAZWKHU-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220984;MM220984;CNC(=O)N(C=N)C=CF;GRPYRVCBPDTEBP-UHFFFAOYSA-N;145.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220985;MM220985;CC(=O)C#CCC(C)(C)F;UJILNJGGNFRNGE-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220986;MM220986;CC(F)(F)CC#CC(=N)N;ZXZNRXGDIMGQEE-UHFFFAOYSA-N;146.14;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220987;MM220987;CC(F)(F)CC#CC(N)=O;ASNFRCDJJNNHDW-UHFFFAOYSA-N;147.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220988;MM220988;CC(N)CC=CC(C)(C)N;XIQMULRPFUBANZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220989;MM220989;CC(O)CC=CC(C)(C)N;ZOXXSKKEAQUHDX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220990;MM220990;CC(F)CC=CC(C)(C)N;ZLUAHGOFOSZEQV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220991;MM220991;CC(C)(N)C=CCC(F)F;UBJMMQZTLUHPNY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220992;MM220992;CC(N)CC=CC(C)(C)O;KXXIMSLORCGGPO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220993;MM220993;CCN(O)C(C=NN)=NN;LRMTWPRSHMKRKE-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220994;MM220994;CC(C)(F)C=CCC(F)F;KCIVXAMXJNRBPD-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220995;MM220995;CC(C)NN=CC(C)(C)C;NPYXBYUTGBAEDY-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220996;MM220996;CC(C)NN=CC(C)(C)N;JPWCQKGOALETJA-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220997;MM220997;COCC(CO)OC=NN;KLBPCPHCQBCZPZ-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220998;MM220998;CC(C)NN=CC(C)(C)F;GHGJYZUDIJJFDM-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM220999;MM220999;CCCOC(C=NN)CO;DSKSZTPYRHRORY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221000;MM221000;C#CCOC(C=NN)CO;YKMJNXSGESYKHB-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221001;MM221001;CC(C)ON=CC(C)(C)N;NEFIJADGTCBXNZ-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221002;MM221002;CC#CC(=NN=CC)NO;LQJVMGWDVNSEKH-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221003;MM221003;CC(C)ON=CC(C)(C)F;JESMEEMZNILDNI-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221004;MM221004;CC(C)ON=CC(C)(F)F;SZTLLLFUSSGLLU-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221005;MM221005;CC(=O)CC=CC(C)(C)C;JSVBEFPRZQFAJS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221006;MM221006;C=C(C)CC=CC(C)(C)N;CCKKIKBPRJJFGS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221007;MM221007;CC(C)(N)C=CCC(N)=O;JLIYNUKOENSNGG-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221008;MM221008;C=C(F)CC=CC(C)(C)N;QHMGLLJBRDOJAW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221009;MM221009;CN=CN=C(NO)C(N)=O;ZOBQNWUJDWRNJU-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221010;MM221010;CCC=NOC(C#N)C=O;IRIGTPTXKLPITA-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221011;MM221011;CC(C)(F)C=CCC(=N)N;YAHGMSGMEJFMTF-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221012;MM221012;CC(C)(F)C=CCC(N)=O;KHGHWTQQDURCAE-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221013;MM221013;CC(C)(C)C=CNC(=N)N;PDVZRUSSWFABOV-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221014;MM221014;CC(C)(N)C=CNC(=N)N;OIFKITLWVODDLN-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221015;MM221015;CC(C)(N)C=CNC(N)=O;AGZBVPNRAICJMT-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221016;MM221016;CC(C)(O)C=CNC(=N)N;RMJFBSMASGMZLK-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221017;MM221017;CC(C)(O)C=CNC(N)=O;IJIUUOPHFHRTSS-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221018;MM221018;N=C(N)NC=CC(F)(F)F;VCGJCLBEAKOMMR-UHFFFAOYSA-N;153.11;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221019;MM221019;CC(C)(C)C=NNC(=N)N;YQEKOYSYKBTEDU-UHFFFAOYSA-N;142.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221020;MM221020;CC(C)(C)C=NNC(N)=O;VZQMUDUULDRAHS-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221021;MM221021;CC(=O)NN=CC(C)(C)N;UUGVOHKGQUTULU-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221022;MM221022;CC(C)(O)C=NNC(=N)N;LZNZUXRSPMMTMO-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221023;MM221023;CC(C)(F)C=NNC(=N)N;UBFODGQQGQNRRX-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221024;MM221024;CC(C)(F)C=NNC(N)=O;JLOMTSXZCBROMT-UHFFFAOYSA-N;147.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221025;MM221025;CC(F)(F)C=NNC(N)=O;QXBGBZVAENJBPO-UHFFFAOYSA-N;151.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221026;MM221026;CC(=O)OC=CC(C)(C)O;PUBZZIYCCPHBIF-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221027;MM221027;CC(=O)OC=CC(C)(F)F;AQVDYUXNQOEYKL-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221028;MM221028;CCNN=CC(CO)OC;PNUGNVUBRSSZRP-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221029;MM221029;CC(C)(N)C=NOC(=N)N;CBTVXQIUPOHTIR-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221030;MM221030;CC(C)(N)C=NOC(N)=O;CRTURFOAUWTGEL-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221031;MM221031;CC(C)(F)C=NOC(N)=O;VBXOQFDVQBPWPK-UHFFFAOYSA-N;148.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221032;MM221032;CC(F)CC#CC(C)(C)N;ZSFGHBCKRRKSLD-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221033;MM221033;CC(C)(N)C#CCC(F)F;KZEIMAKWJATWAT-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221034;MM221034;CC(C)(O)C#CCC(F)F;CCESKPVNKNVLFB-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221035;MM221035;CC(F)CC#CC(C)(C)F;FBNKIBVQWBZLCG-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221036;MM221036;C=C(F)CC#CC(C)(C)N;VNDGRJAOYQJINR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221037;MM221037;C=C(C)CC#CC(C)(C)O;YHRYIGJRTPXVNC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221038;MM221038;CC(=O)CC#CC(C)(C)O;VPDDTCDXNKELGJ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221039;MM221039;C=C(F)CC#CC(C)(C)O;WKKWJYRRCLJVPY-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221040;MM221040;CC(=O)CC#CC(C)(C)F;ATCYETRFWDAWFL-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221041;MM221041;CC(F)(F)C#CCC(=N)N;OGYNUPNMXOSLDF-UHFFFAOYSA-N;146.14;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221042;MM221042;CC(F)(F)C#CCC(N)=O;PGBVOGQBIIIKSC-UHFFFAOYSA-N;147.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221043;MM221043;N=C(N)CC#CC(F)(F)F;KOVZDPHOXPOCTE-UHFFFAOYSA-N;150.1;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221044;MM221044;NC(=O)CC#CC(F)(F)F;ADJGJKYSVCZJTF-UHFFFAOYSA-N;151.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221045;MM221045;CC(F)=CCCC(C)(C)N;CAXDORONCOGXCR-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221046;MM221046;CC(C)(N)CCC=C(F)F;ZZXGWJPMWOPOJD-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221047;MM221047;CC(C)=CCCC(F)(F)F;VKSCZPIDMBUBPZ-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221048;MM221048;CC(C)=COCC(C)(C)N;AQQDDRWFHZZNPF-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221049;MM221049;CC(F)=COCC(C)(C)N;GMJKYMZIHQULSM-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221050;MM221050;CC(C)=COCC(C)(C)O;JEZCFXBPPNTLHF-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221051;MM221051;CC(F)=COCC(C)(C)O;MYPKHZNGHLGBHZ-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221052;MM221052;CC(C)=COCC(C)(F)F;CFDDUYBDHREMTC-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221053;MM221053;CC(C)=COCC(F)(F)F;ANNSGCWOFLZGRI-UHFFFAOYSA-N;154.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221054;MM221054;FC(F)=COCC(F)(F)F;UTCAKXKAWUTOJL-UHFFFAOYSA-N;162.06;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221055;MM221055;CC(C)=NOCC(C)(C)N;MMGLVAJLYYPMJY-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221056;MM221056;CNC(=NOCCO)NO;RPXADZCJRBGNBS-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221057;MM221057;CC(C)=NOCC(C)(C)F;FJBHGLGRLIDPMF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221058;MM221058;CC(C)=NOCC(C)(F)F;JXUFDLKKYGDBMF-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221059;MM221059;CC(C)=NOCC(F)(F)F;NBNFMSJXJZHYLA-UHFFFAOYSA-N;155.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221060;MM221060;CC(C)(N)C=CC=C(F)F;WMKNGEQPALFHDN-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221061;MM221061;CC(C)=NN=CC(C)(C)O;IINYBWLELARVDG-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221062;MM221062;CCCC(C)CC(C)(C)C;IIYGOARYARWJBO-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221063;MM221063;CC(CCN)CC(C)(C)C;SIABJTQKCPDDKL-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221064;MM221064;CCCC(N)CC(C)(C)C;IWUNSOIFZNDJJF-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221065;MM221065;CC(C)(C)CC(N)CCF;OJEVLFLMIWIVIG-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221066;MM221066;CCN1CCN(O)C(C)=N1;IBPOQHBQLVSOFT-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221067;MM221067;CCCC(C)CC(C)(C)N;ZAGJJBLDTNCBRW-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221068;MM221068;CC(CCN)CC(C)(C)N;WMBVBYXGEZDXEY-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221069;MM221069;CC(CCO)CC(C)(C)N;IENLIJRYFGNDHU-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221070;MM221070;CC(CCF)CC(C)(C)N;XANSUBLGUJWLSV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221071;MM221071;CCCC(N)CC(C)(C)N;IJQJXHAFKJCGEK-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221072;MM221072;CC(C)(N)CC(N)CCF;SGJOWHZEOMMQJS-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221073;MM221073;CCCC(O)CC(C)(C)N;YEGDDMMWZASHLN-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221074;MM221074;CC(C)(N)CC(O)CCO;AJNOGTDZBPRRDB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221075;MM221075;CCCC(F)CC(C)(C)N;HOUYVEARHNETII-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221076;MM221076;CC(C)(N)CC(F)CCF;DNTXDFUMJCVHNJ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221077;MM221077;CC(CCN)CC(C)(C)O;PVOZNIYMXYRZIO-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221078;MM221078;CCCC(N)CC(C)(C)O;OEISWBOUESIGRQ-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221079;MM221079;CC(C)(O)CC(N)CCO;TZGXICJVMVWEPC-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221080;MM221080;CCCC(O)CC(C)(C)O;DXWLGCKTCQEDOO-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221081;MM221081;CCCC(F)CC(C)(C)O;ADDHKOKPXTYSDN-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221082;MM221082;CC(C)(O)CC(F)CCF;HYCRYNGKRHBLEZ-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221083;MM221083;CCCC(C)CC(C)(C)F;QDZVTVOYSBUSCB-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221084;MM221084;CC(C)(F)CC(N)CCF;ATGNUANYIXNIRU-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221085;MM221085;CC(C)(F)CC(F)CCN;FPCJWVCENLKSME-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221086;MM221086;CC(C)(F)CC(F)CCF;IRHZOJSBWOEKKU-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221087;MM221087;CCCC(N)CC(C)(F)F;RLXPGWXNJGYMDO-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221088;MM221088;CC(F)(F)CC(N)CCN;RIWVHELKOUIENU-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221089;MM221089;CC(F)(F)CC(N)CCF;APGNHJISAAKTDQ-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221090;MM221090;CC(F)(F)CC(O)CCO;LWNJTSVYWQJKBB-UHFFFAOYSA-N;154.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221091;MM221091;CC(F)(F)CC(F)CCF;SVCNDQYWCBPCQK-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221092;MM221092;NC(CCF)CC(F)(F)F;SSQCRDDYPNLTNF-UHFFFAOYSA-N;159.13;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221093;MM221093;CCCC(O)CC(F)(F)F;ZAPDYOPHULUPJK-UHFFFAOYSA-N;156.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221094;MM221094;CNCC(F)CC(C)(C)C;WXMRQJGLWSSEJE-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221095;MM221095;CNCC(C)CC(C)(C)N;ZLWANYNRCMSRRC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221096;MM221096;CNCC(F)CC(C)(C)F;JHMQOKKRRPBIFB-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221097;MM221097;CNCC(C)CC(C)(F)F;AXQDHQLRUHVBHH-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221098;MM221098;CNCC(N)CC(C)(F)F;GGTGZGGQMGFJTD-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221099;MM221099;CNCC(F)CC(C)(F)F;IWBXYGQXZDMRDJ-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221100;MM221100;COCC(N)CC(C)(C)N;ZLBLIBASIRROMR-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221101;MM221101;COCC(N)CC(C)(C)O;PQFVLROGXAPMME-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221102;MM221102;COCC(O)CC(C)(F)F;PFJZNNLCYGCYKN-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221103;MM221103;COCC(O)CC(F)(F)F;ZGJYMALXXDKIQN-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221104;MM221104;CCNC(C)CC(C)(C)O;GXLGDPKMMXZIRR-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221105;MM221105;CCOC(C)CC(C)(C)O;HAEVEKOCGJLYEQ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221106;MM221106;CCOC(C)CC(C)(C)F;YHBOSNHPIPPSGY-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221107;MM221107;CCCN(C)CC(C)(C)O;CMXJIBOJWIFNJO-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221108;MM221108;CN(CCO)CC(C)(C)O;AQLXMXOTOZYGCX-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221109;MM221109;CC1=NN(C=N)CCN1O;FWPXKNAOQLAXQF-UHFFFAOYSA-N;142.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221110;MM221110;CC(CC#N)CC(C)(C)C;MBNGKLRNQCBFBB-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221111;MM221111;CC(C)(C)CC(O)CC#N;QXHPWGAKCTYDBA-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221112;MM221112;CC(C)(C)CC(F)CC#N;CBJILQZUJIWRRC-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221113;MM221113;C=CCC(N)CC(C)(C)N;OVTZDHUEAFZIKF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221114;MM221114;C=CCC(F)CC(C)(C)N;FGEYHKINTINHBF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221115;MM221115;CC1=NN(C=O)CCN1O;XXMHQUCIQXNGFX-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221116;MM221116;C=CCC(N)CC(C)(C)O;XZJFLGSBKRBVCM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221117;MM221117;CC(C)(O)CC(O)CC#N;ATHOPCKBALUXOK-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221118;MM221118;C=CCC(F)CC(C)(C)O;UHYMBJDMWNYEAS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221119;MM221119;CC(C)(O)CC(F)CC=O;OYJBVAJTVJHNGU-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221120;MM221120;C=CCC(N)CC(C)(C)F;CCXZNHLOXOPIGO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221121;MM221121;C=CCC(F)CC(C)(C)F;SWFJXOLVJVIFOR-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221122;MM221122;CC(C)(F)CC(F)CC=O;GENHSBHUAXMUER-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221123;MM221123;CC(CC#N)CC(C)(F)F;BZMDWYIZDAQUDQ-UHFFFAOYSA-N;147.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221124;MM221124;C=CCC(N)CC(C)(F)F;RJXBUROSVMRCSV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221125;MM221125;CC(F)(F)CC(O)CC=O;DCYCWKUAKXAOKS-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221126;MM221126;CC(F)(F)CC(O)CC#N;TWCKGHCFVNXGKI-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221127;MM221127;N#CCC(O)CC(F)(F)F;JUIUZQXLBFQRTD-UHFFFAOYSA-N;153.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221128;MM221128;CC(CC(C)(C)C)NC=N;NJWVDPQNPVKSQS-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221129;MM221129;C#CC12CN(O)C(=N)C1N2;KSTHUGVYXYLFKO-UHFFFAOYSA-N;137.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221130;MM221130;CC(CC(C)(C)O)NC=N;CBASUSUDCUPKMW-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221131;MM221131;CC(CC(C)(C)F)NC=N;XORCGQYQQXDHSN-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221132;MM221132;CC(CC(C)(F)F)NC=N;FAMXDLQOPRNTLN-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221133;MM221133;C=NNC(C)CC(C)(C)C;JMJNFBSNYOGUIP-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221134;MM221134;C=NNC(C)CC(C)(C)N;WCTBHYMCXYPHLH-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221135;MM221135;C=NNC(C)CC(C)(F)F;FFVDAJYAGADGGD-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221136;MM221136;C=COC(C)CC(C)(C)C;ZKVOGPYZBPERFM-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221137;MM221137;CC(CC(C)(C)N)OC=O;PVJSPUVTNYEJMU-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221138;MM221138;C=COC(C)CC(C)(C)O;GIRHCZHDGXATFV-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221139;MM221139;C=COC(C)CC(C)(C)F;UJBBLXLOKYTTAM-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221140;MM221140;C=COC(C)CC(C)(F)F;QZEJOZVDMUIOBY-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221141;MM221141;CC(CC(C)(F)F)OC=O;JULJAUBPASSWFG-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221142;MM221142;C=COC(C)CC(F)(F)F;HKQQVMVTZNGGIT-UHFFFAOYSA-N;154.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221143;MM221143;C=NOC(C)CC(C)(C)N;ZGVLTTKNDKSHHU-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221144;MM221144;C=NOC(C)CC(C)(C)F;WHAZDSWQENNJNY-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221145;MM221145;C=CCC(C)NC(C)(C)C;XIJINGYWDHGCFR-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221146;MM221146;CN(CC#N)CC(C)(C)C;RUIFLRCASNBGTC-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221147;MM221147;C=CCN(C)CC(C)(C)N;VEFRXCBDBALKRA-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221148;MM221148;C=Cn1ncc(CO)c1C;NFRZSWFNVHILPX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221149;MM221149;CN(CC#N)CC(C)(F)F;RXVAWJFTVCZJIC-UHFFFAOYSA-N;148.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221150;MM221150;CN(CC(C)(C)F)NC=N;FJTCOGQQRDHAHA-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221151;MM221151;CN(CC(C)(C)F)NC=O;VMFSHJQLIFGLQX-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221152;MM221152;CN(CC(C)(F)F)NC=N;AWKDIEHKLNTIQZ-UHFFFAOYSA-N;151.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221153;MM221153;CN(CC(C)(F)F)NC=O;HAHKBYUUVHYBFA-UHFFFAOYSA-N;152.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221154;MM221154;C#CCC(C)CC(C)(C)C;ANKDPFKJGQAPHF-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221155;MM221155;C#CCC(N)CC(C)(C)C;OHIDZTVHCMLPBO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221156;MM221156;C#CCC(C)CC(C)(C)N;KRKYTWHRSKJOQM-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221157;MM221157;N#CC(=CN)C1OC1CO;LLBLQYBPGUGGQX-UHFFFAOYSA-N;140.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221158;MM221158;C#CCC(N)CC(C)(C)F;LMGGPVXWODNNRR-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221159;MM221159;C#CCC(F)CC(C)(C)F;KASREYWGIMJRGA-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221160;MM221160;C#CCC(C)CC(C)(F)F;NWYLGZWUDRTGPX-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221161;MM221161;C#CCC(N)CC(F)(F)F;AUQIMLBEYWBIOG-UHFFFAOYSA-N;151.13;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221162;MM221162;C#CCC(C)NC(C)(C)C;RETPDLCMYXVKPB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221163;MM221163;C#CCC(C)OC(C)(C)C;VSZAJRNHKHNXPN-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221164;MM221164;C#CCN(C)CC(C)(C)C;ICUBGGRTXHCCCT-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221165;MM221165;C#CCN(C)CC(C)(C)O;FSBBETOPMHUYCO-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221166;MM221166;C=C(CCC)CC(C)(C)C;MXFANWRBDRBYEX-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221167;MM221167;CCCC(=O)CC(C)(C)C;JUQWYDYXUFYJNR-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221168;MM221168;CC(C)(C)CC(=O)CCO;KAKGDRIBSFYKGT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221169;MM221169;C=C(CCC)CC(C)(C)N;MEGUQDVXFHGBGY-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221170;MM221170;C=C(CCN)CC(C)(C)N;QSQIZDNXVBNPMR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221171;MM221171;C=C(CCF)CC(C)(C)N;PBRZVAGKCHEKNP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221172;MM221172;C=CC(O)C1CC1C=NN;CUKNNTWJDZZWRS-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221173;MM221173;C=C(CCN)CC(C)(C)O;CXKLGLWUURMREI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221174;MM221174;COC(C=NN1CC1)CO;ZOUROBLJTVSVBP-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221175;MM221175;CCCC(=O)CC(C)(C)O;SLBRLDSZDNWJSU-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221176;MM221176;CCCC(=O)CC(C)(C)F;VALVYKFVPOXVDY-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221177;MM221177;CC(C)(F)CC(=O)CCO;VQQNWBWPFSIKGK-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221178;MM221178;C=C(CCF)CC(C)(F)F;CJMLQELEIPNLJD-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221179;MM221179;CCCC(=O)CC(C)(F)F;BRNPERSLMIVYDB-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221180;MM221180;C=C(CCN)CC(F)(F)F;BKOXXDMEXOQKTE-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221181;MM221181;O=C(CCO)CC(F)(F)F;DKEFAMSGDMDLFX-UHFFFAOYSA-N;156.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221182;MM221182;C=C(CNC)CC(C)(C)C;JFUNVMMEWQPYJR-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221183;MM221183;CNCC(=O)CC(C)(C)C;FZDMFAFDLUUWMZ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221184;MM221184;CNCC(=O)CC(C)(C)F;VGYVSHZVMNHGJB-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221185;MM221185;C=C(CNC)CC(C)(F)F;SUSKIHARVHTFSB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221186;MM221186;C=C(CNC)CC(F)(F)F;HWMIHGOLCTVXIB-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221187;MM221187;COCC(=O)CC(C)(F)F;FOIYJWBTOTVKDZ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221188;MM221188;CCNC(=O)CC(C)(C)F;FGOILYVWBBBTNC-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221189;MM221189;CCNC(=N)CC(C)(F)F;SHBKZRIJHZZEIL-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221190;MM221190;CCNC(=O)CC(C)(F)F;ICXNBLITOZZTNG-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221191;MM221191;CNNC(=N)CC(C)(C)C;MMVKIJQSFZEPCO-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221192;MM221192;CNNC(=N)CC(C)(C)F;VYWQQCGHZNKOAR-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221193;MM221193;CONC(=O)CC(C)(C)C;QJBOKFVEZFBTIV-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221194;MM221194;CONC(=N)CC(C)(C)N;HXESWTBCEQNCHO-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221195;MM221195;CONC(=N)CC(C)(C)O;QNGFMWQQHUBYBD-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221196;MM221196;Nn1oc(=O)c(=O)nc1O;IFEDVNSQJQKWDF-UHFFFAOYSA-N;145.07;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221197;MM221197;CCOC(=O)CC(C)(C)N;CINTWGJQDJSXPJ-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221198;MM221198;CCCC(=N)NC(C)(C)C;VISDXNRRKLFYIR-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221199;MM221199;CC(C)(C)NC(=N)CCO;LQISALURTVLBRR-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221200;MM221200;NN=C(C#CC1CO1)NO;YXNARLLMONJRPD-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221201;MM221201;CCNC(=N)NC(C)(C)C;RJEHVTUDZHXEOV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221202;MM221202;CONC(=N)NC(C)(C)C;AEKMXAIRVMHKIG-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221203;MM221203;CCOC(=O)NC(C)(C)C;CUICPJOPYVMUPK-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221204;MM221204;CC(C)(C)OC(=O)CCN;ZJXHVYSDMUKUCA-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221205;MM221205;CCNC(=O)OC(C)(C)C;ISTGQSQWSKCNFJ-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221206;MM221206;CCOC(=O)OC(C)(C)C;FSZKWHBYBSGMJD-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221207;MM221207;C=C(CC=O)CC(C)(C)C;DBSRLUDAPSXELV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221208;MM221208;C=C(CC#N)CC(C)(C)C;IGFGBIOXXMZEFY-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221209;MM221209;C=CCC(=O)CC(C)(C)C;LRHMRBMZURMASY-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221210;MM221210;C=CCC(=C)CC(C)(C)N;OODVTIMRPQDBCI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221211;MM221211;OCC1CCC2(CO)CN12;VOHHYYIKHGCWRX-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221212;MM221212;O=CC1(CO)NC1C1CC1;OCDVLBCKPFLLQX-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221213;MM221213;C=CCC(=C)CC(C)(C)F;INNQSWSLBQAQAW-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221214;MM221214;C=C(CC=O)CC(C)(C)F;JESBYSLSDVFZTJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221215;MM221215;C=CCC(=O)CC(C)(C)F;NVPJODSWOMKRST-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221216;MM221216;CC(C)(F)CC(=O)CC#N;DXBSOUKEYLPHTB-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221217;MM221217;C=CCC(=C)CC(C)(F)F;SKJQHKKLIDCTDE-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221218;MM221218;C=C(CC=O)CC(C)(F)F;VQZCTTIQNNEFPI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221219;MM221219;C=CCC(=O)CC(C)(F)F;XWYNYBOSHAATCK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221220;MM221220;C=CCC(=C)CC(F)(F)F;FKEGYKBHPWMQSV-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221221;MM221221;C=C(CC=O)CC(F)(F)F;XIMOXVDUCWRHTN-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221222;MM221222;C=C(CC#N)CC(F)(F)F;IHTFTSGLRHJXQV-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221223;MM221223;C=CCC(=O)CC(F)(F)F;LDWRNLQGVKQLRC-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221224;MM221224;C=C(CC(C)(C)C)NC=N;ZSBAIWFXRMWBRJ-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221225;MM221225;C=CNC(=O)CC(C)(C)C;CXTJKFWFODWFRQ-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221226;MM221226;O=CC1(CO)CN1C1CC1;VZLVARJHPZMWJF-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221227;MM221227;C=CNC(=N)CC(C)(C)N;XOWBRPXVNJKFHL-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221228;MM221228;C=CNC(=O)CC(C)(C)N;HFKBNUGLRSGTLI-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221229;MM221229;C=CNC(=N)CC(C)(C)O;GXBRVFZTZKMKBO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221230;MM221230;C=CNC(=O)CC(C)(C)O;QLMYZYLKKNQREN-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221231;MM221231;CC(C)(F)CC(=N)NC=N;DFCVNUDDWLQMPE-UHFFFAOYSA-N;145.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221232;MM221232;CON=CC(C)O;NDOYQJUPVUOACG-UHFFFAOYSA-N;103.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221233;MM221233;C=CNC(=O)CC(C)(C)F;KLIWZZAVYUETQO-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221234;MM221234;C=NNC1(C)CC1O;MGFLPUJEMOUYIP-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221235;MM221235;C=CNC(=O)CC(C)(F)F;UHRUMPGFDVRTPD-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221236;MM221236;O=CNC(=O)CC(F)(F)F;SCVMEUFZLCFXKC-UHFFFAOYSA-N;155.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221237;MM221237;C=COC(=C)CC(C)(F)F;WDSVGOMZKQOSHQ-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221238;MM221238;C=C(CC(C)(F)F)OC=O;FYCDPHKAMKYVOV-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221239;MM221239;C=CCC(=O)NC(C)(C)C;AGNQGLOPQGRQHW-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221240;MM221240;CC(C)(C)NC(=O)CC=O;INSRKQLUELXQQO-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221241;MM221241;CC(C)(C)NC(=O)CC#N;DVQYNHDOQWPSTR-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221242;MM221242;C=CNC(=O)NC(C)(C)C;IREZPZFTTJMKRZ-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221243;MM221243;NN1CC(O)CC1=O;IRQMYKVILYDWTN-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221244;MM221244;C=C(CC#N)OC(C)(C)C;BCIWMRGTIGICFF-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221245;MM221245;C=CCC(=O)OC(C)(C)C;NGASWKRTXGWPNN-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221246;MM221246;CC(C)(C)OC(=O)CC#N;BFNYNEMRWHFIMR-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221247;MM221247;C=CNC(=O)OC(C)(C)C;SJDWKAHMQWSMPV-UHFFFAOYSA-N;143.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221248;MM221248;C=COC(=O)OC(C)(C)C;ZTYVCUMMMHDLBR-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221249;MM221249;C#CCC(=C)CC(C)(C)C;WSFLSYZNLZNBQQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221250;MM221250;C=CN(O)C=NC=N;VPXPYWFYHQCQRK-UHFFFAOYSA-N;113.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221251;MM221251;C#CCC(=C)CC(C)(C)F;BDIKADGURNLXDF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221252;MM221252;C#CCC(=O)CC(C)(C)F;BADBSHKJBHNTDG-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221253;MM221253;C#CCC(=C)CC(C)(F)F;ZSAKFTNSWINNJV-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221254;MM221254;C#CCC(=O)CC(C)(F)F;MDKZHCRVOZDFGZ-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221255;MM221255;C#CCC(=O)CC(F)(F)F;NGOREATYEPLRDT-UHFFFAOYSA-N;150.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221256;MM221256;C#CCC(=N)NC(C)(C)C;FUTWKPIHXFWFBX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221257;MM221257;C#CCC(=O)NC(C)(C)C;VRVKOFNYAWRATC-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221258;MM221258;C#CCC(=C)OC(C)(C)C;XLZGIUKWNHCJGB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221259;MM221259;C#CCC(=O)OC(C)(C)C;VWOHDUAEHGJQSK-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221260;MM221260;C=NOC(C#N)C=O;FXBYSKPSGQFACQ-UHFFFAOYSA-N;112.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221261;MM221261;CC=CC(C)CC(C)(C)N;AJQQZKHPYAKUFR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221262;MM221262;CC(C=CF)CC(C)(C)N;WCGVGQXLFBDYQY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221263;MM221263;CC=CC(N)CC(C)(C)N;HATMSESBWIOKDN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221264;MM221264;CC=CC(O)CC(C)(C)N;AZYNZWKLXQFMKO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221265;MM221265;CC(C)(N)CC(F)C=CF;LPIIOQKKHTUHAK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221266;MM221266;Cn1cc(CO)cn1;QSXREDPBMQKKAY-UHFFFAOYSA-N;112.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221267;MM221267;C=CC(C)(O)CC=NN;VPFWPVNPWDFANO-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221268;MM221268;CC=CC(N)CC(C)(C)O;UVBTUBNFDNHICX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221269;MM221269;CC=CC(O)CC(C)(C)O;IVWVQLQTGSRFBY-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221270;MM221270;CC=CC(F)CC(C)(C)O;CXSQXNZLEPLLLW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221271;MM221271;CC=CC(C)CC(C)(C)F;QXIQWILCKYATIZ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221272;MM221272;CC(C)(F)CC(N)C=CF;TVQIZUZCVMCBQQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221273;MM221273;CC=CC(O)CC(C)(C)F;WAVNRMSMFIZNPQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221274;MM221274;CC=CC(N)CC(C)(F)F;YWVJQDOGHPRMBB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221275;MM221275;CC(F)(F)CC(N)C=CF;UGTAOLCVDJOSBD-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221276;MM221276;CC(F)(F)CC(F)C=CF;IDNXUTUEJUSGHN-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221277;MM221277;OC(C=CF)CC(F)(F)F;LIJNCNWNDZTBLK-UHFFFAOYSA-N;158.09;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221278;MM221278;CC(C=NO)CC(C)(C)N;QMFOFBBFPGHUKX-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221279;MM221279;C=CN(O)C=NC(C)=N;BRXLUGCVSRRIIX-UHFFFAOYSA-N;127.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221280;MM221280;CC(C=NO)CC(C)(C)F;UKLHGQQMDPYWSS-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221281;MM221281;CC(C=NN)CC(C)(F)F;OIKKMLSYVIXGJN-UHFFFAOYSA-N;150.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221282;MM221282;COCON=CC(C)O;DSNPMFXMZYSZMS-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221283;MM221283;C=NN(C)C(C)CC(=O)O;LRGDQWRMSLDASS-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221284;MM221284;CC(O)C=NOCC#N;QIXKJDCPJPBIND-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221285;MM221285;CC=CC(C)NC(C)(C)C;JSNGIKSKXFFZLT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221286;MM221286;C=NNCC#CC(N)=O;MKTFDMBICGJOJH-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221287;MM221287;C=NN=CN(O)C(C)C;KYKFOBIHLBISSQ-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221288;MM221288;C=NOC(CO)CCC;WOGSDOCUFUUVTH-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221289;MM221289;N=CN=C1CN(O)C=N1;VNZZAJNIOFIGHJ-UHFFFAOYSA-N;126.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221290;MM221290;CC=NN(C)CC(C)(C)F;DTABJRSKRRYARH-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221291;MM221291;CC=NN(C)CC(C)(F)F;NSQUQDWHWOJNCZ-UHFFFAOYSA-N;150.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221292;MM221292;C=Cc1[nH]nc(F)c1C;CATVMMIXEVQVIY-UHFFFAOYSA-N;126.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221293;MM221293;CN(C=NO)OC(C)(C)C;VECKBZGYXTXABG-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221294;MM221294;CC=CC(=O)CC(C)(C)C;XYVHJBGBPGXTMP-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221295;MM221295;C=C(C=CC)CC(C)(C)N;QQOGNCKBYWBDJI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221296;MM221296;C=C(C=CF)CC(C)(C)N;QPZKYVSITFILNH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221297;MM221297;C#CC(=NN=CC)NO;GIDMJVDZCYPMRK-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221298;MM221298;NN=C1CC(CO)ON1;BPECWLWDHSLEAI-UHFFFAOYSA-N;131.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221299;MM221299;CC=CC(=O)CC(C)(C)O;CVSIWOCNKMFQEY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221300;MM221300;CC(C)(O)CC(=O)C=CF;MSFFYDBECJNTOV-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221301;MM221301;CC=CC(=O)CC(C)(C)F;LRFNHSAWTCIXKT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221302;MM221302;CC(C)(F)CC(=O)C=CN;UOANKDZZQFERCN-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221303;MM221303;C=C(C=CF)CC(C)(F)F;VXQSJTLBRRMYLI-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221304;MM221304;CC(C)(C)CC(=O)C=NO;YFFZDFAEDIGHOF-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221305;MM221305;C=C(C=NO)CC(C)(C)N;LBYUABBVCNDFQR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221306;MM221306;CCn1cc(CO)cn1;GRNICTDYQNKYHH-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221307;MM221307;C=C(C=NO)CC(C)(C)O;DDPBCFVKQVXOJO-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221308;MM221308;CC=CC(=N)NC(C)(C)C;GDJXEMWXZBDLQT-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221309;MM221309;C#CC#Cc1cc[nH]n1;HWSFEPBKSQJFFI-UHFFFAOYSA-N;116.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221310;MM221310;CC(C)(C)NC(=N)C=NN;PMTUDVFUVRIJHC-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221311;MM221311;CON=COCC(C)(C)O;OORDNMHHROBQIL-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221312;MM221312;CC(C)(C)NC(=O)C=NO;ZFEFSNFXPMWLKS-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221313;MM221313;CC=CC(=O)OC(C)(C)C;QHSPZGZEUDEIQM-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221314;MM221314;CC#CC(C)CC(C)(C)C;INZOABDCHXCPQE-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221315;MM221315;CC#CC(N)CC(C)(C)C;BZDCZBBFWRMGLW-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221316;MM221316;CC#CC(O)CC(C)(C)C;QOUZKKGVJQWOJM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221317;MM221317;CC#CC(N)CC(C)(C)N;SJXZWUPNXALYKC-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221318;MM221318;CC#CC(O)CC(C)(C)N;YBOMNMVMKIAFTK-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221319;MM221319;CC#CC(F)CC(C)(C)N;QOINBLCZUSPGQF-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221320;MM221320;CC#CC(C)CC(C)(C)F;HPEFIHKXDJIXEJ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221321;MM221321;CC#CC(N)CC(C)(C)F;QDMSNKHPIQDFIF-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221322;MM221322;CC#CC(O)CC(F)(F)F;ZDRSJPHCILXTQV-UHFFFAOYSA-N;152.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221323;MM221323;CC#CC(C)NC(C)(C)C;XILZFCZBDVRMLE-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221324;MM221324;C=C(C#CC)CC(C)(C)C;QKRZNLAGTQVFCX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221325;MM221325;CC#CC(=O)CC(C)(C)C;KWFVRVQUOLRADC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221326;MM221326;C=C(C#CC)CC(C)(C)N;PYNBKMMTFBBWIW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221327;MM221327;CC=NNC(C)(C)C(C)O;CGQHUSLUEIEJEV-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221328;MM221328;CC#CC(=O)CC(C)(C)O;BDSNRTHDJUOQEO-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221329;MM221329;C=C(C#CC)CC(C)(C)F;IZAAWLINOULFPS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221330;MM221330;CC#CC(=O)CC(C)(C)F;GIBQGMNVWZTMRK-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221331;MM221331;C=C(C#CC)CC(C)(F)F;XQRWMERRZNPAOS-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221332;MM221332;CC#CC(=O)CC(C)(F)F;NDWQCSYRPJGMRI-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221333;MM221333;C=C(C#CC)CC(F)(F)F;PQCQIRMXNGKHHP-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221334;MM221334;CC#CC(=O)CC(F)(F)F;UHPPGHPDWHZJOY-UHFFFAOYSA-N;150.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221335;MM221335;CC#CC(=N)NC(C)(C)C;YTSOZPUGTLEGCD-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221336;MM221336;CC#CC(=O)OC(C)(C)C;SQMITIWFLFJKAL-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221337;MM221337;CCC=C(C)CC(C)(C)C;RRGWRHDFISYXEM-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221338;MM221338;CC(=CCN)CC(C)(C)C;LAVLNLMHIFTMPE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221339;MM221339;CCC=C(C)CC(C)(C)N;SSSKCLKQSTWVMC-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221340;MM221340;CC(=CCN)CC(C)(C)N;CYLSXQMEDITURP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221341;MM221341;CC(C)(N)CC(F)=CCF;LXBITRNYOGVDLP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221342;MM221342;CC(O)C=NOCC(F)F;DOUXEOVWYHKXOP-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221343;MM221343;CC(=CCN)CC(C)(C)O;HKNPAGQHYBXJOQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221344;MM221344;C=CC(C)(O)CC=NNC;SGENGHWSGNSTMV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221345;MM221345;CCC=C(F)CC(C)(C)O;VSNDEHNTMWPCPG-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221346;MM221346;CC(C)(O)CC(F)=CCF;BPHHLBRQHSIDEM-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221347;MM221347;CCC=C(C)CC(C)(C)F;ILJMQODCUMPEHH-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221348;MM221348;CC(=CCN)CC(C)(C)F;LEVWVDVHJNPCMZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221349;MM221349;CCC=C(C)CC(C)(F)F;YPFIYSNELXUBSZ-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221350;MM221350;CC(=CCN)CC(C)(F)F;DCWLIBQBSRHOFR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221351;MM221351;COC=C(C)CC(C)(C)N;JMTUPTMRGGRVMP-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221352;MM221352;COC=C(F)CC(C)(C)N;KXEWYKKSLJXJTE-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221353;MM221353;COC=C(C)CC(C)(C)O;MSOKETVAIIOIOG-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221354;MM221354;COC=C(F)CC(C)(C)O;OCTMOARMYANPCA-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221355;MM221355;COC=C(F)CC(C)(C)F;DARSOLSVPVCTKO-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221356;MM221356;COC=C(F)CC(C)(F)F;YGCKNELYJPEAIM-UHFFFAOYSA-N;154.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221357;MM221357;CON=C(C)CC(C)(C)C;NEHZTIOKHWNKNM-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221358;MM221358;CON=C(C)CC(C)(C)N;PUCDTSNQORRYIK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221359;MM221359;C=CC(C)(O)CC=NOC;ZJULRYSWZKKPTB-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221360;MM221360;CON=C(C)CC(C)(C)F;KVRHUTZGZDJLNZ-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221361;MM221361;CON=C(C)CC(C)(F)F;VLJWIENMLXUVLX-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221362;MM221362;CON=C(C)CC(F)(F)F;SOKXGOCZLVLERU-UHFFFAOYSA-N;155.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221363;MM221363;CCC=C(C)OC(C)(C)C;SZRDAWJMXDOHBW-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221364;MM221364;CC(=CCO)OC(C)(C)C;UUBCLILBMCLBIX-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221365;MM221365;COC=C(C)OC(C)(C)C;XJHMQIOBEOARQG-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221366;MM221366;CON=C(C)OC(C)(C)C;AGZJXFOQRFHSEC-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221367;MM221367;C=CC=C(C)CC(C)(C)C;QFKFOLBUKKYODB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221368;MM221368;CC(=CC=O)CC(C)(C)C;AQHLCHLIIMAFAA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221369;MM221369;CC(CO)ON=CC(F)F;KPCFSFDQOCPVRY-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221370;MM221370;C=C(C)CN(O)C(=N)C=O;NXVQJXVDVCKNQC-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221371;MM221371;CC(C)(O)CC(F)=CC#N;VHZMLPJWQABJBI-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221372;MM221372;C=CC=C(C)CC(C)(C)F;XKFXTPBXFBBFRY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221373;MM221373;CC(C)(F)CC(N)=CC#N;IAALEEKPCMCYDD-UHFFFAOYSA-N;142.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221374;MM221374;C=CC=C(C)CC(C)(F)F;GPBSFJJTYASQEO-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221375;MM221375;CC(F)(F)CC(N)=CC#N;XCSNSQGIUTXARF-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221376;MM221376;C=CC=C(F)CC(C)(F)F;FNPONYXKAOOYIP-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221377;MM221377;C=CC=C(C)CC(F)(F)F;VNZLKGVTLDIUHJ-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221378;MM221378;C=NOC(CO)CC(C)C;IHLMYWJTIMGGLH-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221379;MM221379;C=NN=C(C)CC(C)(C)N;OZTKKIFUEFGIIT-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221380;MM221380;C=NN=C(C)CC(C)(C)O;ZKMBNNLHDJCNTM-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221381;MM221381;C=NN=C(C)CC(C)(F)F;JXGPVMGVHNZCSC-UHFFFAOYSA-N;148.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221382;MM221382;C=NN=C(C)CC(F)(F)F;MAROMTPPJFRWOI-UHFFFAOYSA-N;152.12;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221383;MM221383;CC(O)C=NOCCC#N;HXRIZZBUWAWBNV-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221384;MM221384;N#CCC(=N)N(O)CCF;JDOQSPFIGCKJRV-UHFFFAOYSA-N;145.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221385;MM221385;C=CC=C(C)OC(C)(C)C;WMAORYXQPCJAJI-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221386;MM221386;CC(=CC#N)OC(C)(C)C;YWJBLSNKEXYQTI-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221387;MM221387;C=NN=C(C)OC(C)(C)C;WKAZCNMBSSIUER-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221388;MM221388;C#CC=C(C)CC(C)(C)C;KJSOJZJVDZLAGX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221389;MM221389;C#CC=C(F)CC(C)(C)C;PEFVJPBEZQXPTQ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221390;MM221390;C#CC=C(F)CC(C)(C)N;LMALPXAEKXVJMH-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221391;MM221391;C#CCC(C)N(O)C=NN;ZQVDLNLAWLGBKG-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221392;MM221392;C#CC=C(C)CC(C)(C)F;NKILHSJYWGYAGX-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221393;MM221393;C#CC=C(C)CC(C)(F)F;IADFNKIOZUKSHY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221394;MM221394;C#CC=C(F)CC(C)(F)F;VIVWCMBGTMQNAZ-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221395;MM221395;C#CC=C(C)CC(F)(F)F;PHKFSSUEWINXCP-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221396;MM221396;C#CC=C(F)CC(F)(F)F;YZJJAOGYFPUHLC-UHFFFAOYSA-N;152.09;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221397;MM221397;CCCC(C)=CC(C)(C)C;YBNQZAKUIRYXPL-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221398;MM221398;CC(=CC(C)(C)C)CCN;OYIINDGZWNVRRW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221399;MM221399;CC(C)(N)C=C(F)CCF;WUQUNSQXSWUEPU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221400;MM221400;CC(=CC(C)(C)O)CCN;MKJMPWREAHSVBW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221401;MM221401;C#CC(CO)N(N)C(N)=O;ACCRULAPUOCGHH-UHFFFAOYSA-N;143.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221402;MM221402;CC(C)(O)C=C(F)CCO;DQMYUSSFIPWUTI-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221403;MM221403;CC(=CC(C)(C)F)CCN;LQCXEQQQOMJVDU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221404;MM221404;CC(=CC(C)(F)F)CCN;HRMNZHRVGYBFQI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221405;MM221405;OCCC(F)=CC(F)(F)F;RGDJAZUZPHFQQF-UHFFFAOYSA-N;158.09;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221406;MM221406;CNCC(C)=CC(C)(C)C;WPRDFDCRJVGTQB-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221407;MM221407;CNCC(C)=CC(C)(C)F;YXKALKYHSSARSG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221408;MM221408;CNCC(C)=CC(C)(F)F;SREGVDDLINDOJL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221409;MM221409;CNCC(C)=CC(F)(F)F;KTPUBHRACYDJTK-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221410;MM221410;CCOC(C)=CC(C)(C)C;CHFNAZQRZCIXED-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221411;MM221411;CCOC(C)=CC(C)(C)N;GJGCSXCVJMEEAA-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221412;MM221412;CC(=CC(C)(C)C)CC=O;OZAWYEDDLOMLPJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221413;MM221413;CC(=CC(C)(C)C)CC#N;ZRJRFNQTTXACCN-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221414;MM221414;CC(C)(C)C=C(F)CC=O;KIFAQFJWAHMLMN-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221415;MM221415;CC(C)(C)C=C(F)CC#N;KFRFAJOTHSMXRD-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221416;MM221416;C=CCC(C)=CC(C)(C)N;KFQIGZFDJCKTJH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221417;MM221417;CC=NN=CN(O)C(C)C;RBBVRPVKTOZECS-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221418;MM221418;CC(=N)N(C(N)=O)C(N)=O;QAZSIIIXOOTESG-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221419;MM221419;C=C(C)C(O)CC1CN1C;LKBXTIRENFMVGV-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221420;MM221420;C=CCC(F)=CC(C)(C)O;CJGLKTGJVFAYHY-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221421;MM221421;CC(C)(O)C=C(F)CC=O;OADKKSQAKSNZBE-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221422;MM221422;CC(C)(O)C=C(F)CC#N;WTNJOTNBORGQLO-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221423;MM221423;CC(=CC(C)(C)F)CC=O;QCEVYLUOFMFJCE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221424;MM221424;CC(=CC(C)(C)F)CC#N;IKRZHXURNVSZSB-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221425;MM221425;C=CCC(F)=CC(C)(C)F;IPDHCCOWYICJSP-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221426;MM221426;CC(C)(F)C=C(F)CC=O;KAEWJSCIRGFUSO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221427;MM221427;CC(C)(F)C=C(F)CC#N;IAWYMIJFNZMHCN-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221428;MM221428;C=CCC(C)=CC(C)(F)F;KQUGKJWLQKYTHK-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221429;MM221429;CC(=CC(C)(F)F)CC=O;HTAADWRXYGGFNA-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221430;MM221430;CC(=CC(C)(F)F)CC#N;NCWLQMALNPWVKJ-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221431;MM221431;CC(=CC(C)(C)O)NC=O;RXADRFBEIUVPND-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221432;MM221432;C=COC(C)=CC(C)(C)C;ISFUOLUTGNLLNT-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221433;MM221433;CC(=CC(C)(C)N)OC=O;GHAQTYKUVQTPMT-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221434;MM221434;CC(=CC(C)(C)O)OC=O;YODDNBWTFQVEPO-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221435;MM221435;C=COC(C)=CC(C)(C)F;SFEPWBBLKNLFSK-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221436;MM221436;C#CCC(C)=CC(C)(C)C;WXZZXDJAODQCED-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221437;MM221437;C#CCC(F)=CC(C)(C)C;VGHXIWZFPVFLPA-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221438;MM221438;C#CCC(C)=CC(C)(C)N;MVMOVVVTHMZKEQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221439;MM221439;C#CCC(F)=CC(C)(C)N;QNACQLJZLGNLBQ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221440;MM221440;CNC(C)(CO)C(=O)C#N;PBUCRPUCNPIPFL-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221441;MM221441;C#CCC(F)=CC(C)(C)O;GOMZDNFJBDJBOI-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221442;MM221442;C#CCC(C)=CC(C)(C)F;JAPFTJIQSHLUHJ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221443;MM221443;C#CCC(F)=CC(C)(C)F;WUQCTJDILLLNBT-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221444;MM221444;C#CCC(C)=CC(C)(F)F;GDAGNSVXQUWLOX-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221445;MM221445;C#CCC(F)=CC(C)(F)F;QXNVILGIQJDYGD-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221446;MM221446;CC=CC(C)=CC(C)(C)C;OAVQAJDDEZNZNO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221447;MM221447;CC=CC(C)=CC(C)(C)N;HLZRJGAVGRMESO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221448;MM221448;CC(C=CF)=CC(C)(C)N;UMFYPURWCVLTSS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221449;MM221449;CC=CC(F)=CC(C)(C)N;XCGSUACNBJMSLM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221450;MM221450;CC(CO)N1CC1(C)CO;RTIBMLZFNNZSKN-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221451;MM221451;C#CC(CNC(N)=O)=NN;VICZWAWAPCOWSK-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221452;MM221452;CC=CC(C)=CC(C)(C)F;JQPLAZBLAGKSGZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221453;MM221453;CC=CC(C)=CC(C)(F)F;NBQCSUFBOUGGQW-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221454;MM221454;CC(C=CF)=CC(C)(F)F;UYKLMNCVXFGRND-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221455;MM221455;CC=CC(F)=CC(C)(F)F;UTXWBIPEZOWCKZ-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221456;MM221456;CC=CC(C)=CC(F)(F)F;SIYBBCGOUMSVIG-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221457;MM221457;CC(C=NO)=CC(C)(C)N;HHNPZYROSNQWHK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221458;MM221458;CCNN=C(C)N(O)CC;JERIAXDEUHVTTG-UHFFFAOYSA-N;145.21;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221459;MM221459;CNC(=O)OCOC=NN;RSZIYQKYKNVADU-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221460;MM221460;CC#CC(C)=CC(C)(C)C;RWPNJTOOTDJLQU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221461;MM221461;CC#CC(C)=CC(C)(C)N;OREIEZFCRZRPPI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221462;MM221462;N=C(CON=CCO)NO;NJLHSHVPFXQIMS-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221463;MM221463;CC#CC(C)=CC(C)(F)F;VVLFWXHPVCACMW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221464;MM221464;CC#CC(C)=CC(F)(F)F;IVKFZNMXKQYHNR-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221465;MM221465;CC(N)CC(N)C(C)(C)C;BDEXHARGJLXGJP-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221466;MM221466;CC(O)CC(N)C(C)(C)C;NJFYODLXUYDUAL-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221467;MM221467;CC(N)CC(F)C(C)(C)C;VTQVYAAJOCTDKI-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221468;MM221468;CC(C)CC(C)C(C)(C)N;LCIQFHLVAFIWMM-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221469;MM221469;CC(N)CC(C)C(C)(C)N;CZGGHVNTMVHSNV-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221470;MM221470;CC(O)CC(C)C(C)(C)N;STUBDQRZYKXCJC-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221471;MM221471;CC(F)CC(C)C(C)(C)N;HZCCBZKYHCNWIV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221472;MM221472;CC(CC(F)F)C(C)(C)N;ZOXXAQXLXQHTSO-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221473;MM221473;CC(N)CC(N)C(C)(C)N;UOUTWKRRZPGBJN-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221474;MM221474;CC(O)CC(N)C(C)(C)N;CMFQOABIEKMFLK-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221475;MM221475;CC(N)CC(O)C(C)(C)N;DKLLSMDEDYRAGZ-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221476;MM221476;CC(O)CC(O)C(C)(C)N;FSMXRTBJVPYOKW-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221477;MM221477;CC(C)CC(F)C(C)(C)N;DJXMHLPBRBWEEL-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221478;MM221478;CC(F)CC(F)C(C)(C)N;KNWNIJLPUZAUJM-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221479;MM221479;CC(C)(N)C(F)CC(F)F;XYJVTKCNPBOTCN-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221480;MM221480;C=CN(O)C=NC=NCC;RZYDJZOQTHEJLL-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221481;MM221481;CC(N)CC(C)C(C)(C)O;UPNODKSTKWOBAF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221482;MM221482;CC(O)CC(C)C(C)(C)O;QBCWFJLMSMULOG-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221483;MM221483;CC(C)CC(N)C(C)(C)O;JSOXSSLAYMTIMV-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221484;MM221484;CC(N)CC(N)C(C)(C)O;SMZHFOOJGQQNFR-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221485;MM221485;CC(O)CC(N)C(C)(C)O;ZPLUPULDTYTMQK-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221486;MM221486;CC(N)CC(O)C(C)(C)O;AXDMOGNRZZRGTC-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221487;MM221487;CC(F)CC(O)C(C)(C)O;FKGNGRLVMMWMSC-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221488;MM221488;CC(C)(O)C(O)CC(F)F;ZNXYNMYEVRHNCY-UHFFFAOYSA-N;154.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221489;MM221489;CC(O)CC(F)C(C)(C)O;PAJCUYSCUZTXTC-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221490;MM221490;CC(N)CC(O)C(C)(C)F;MOSBRDJHCZOALB-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221491;MM221491;CC(N)CC(F)C(C)(C)F;OGZBAZMXHJIBGT-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221492;MM221492;CC(N)CC(N)C(C)(F)F;GMYOADXHDJWZRR-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221493;MM221493;CC(F)CC(O)C(C)(F)F;HYHXGYJZRCYHJD-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221494;MM221494;CC(O)CC(C)C(F)(F)F;MRYQZGSLWFAXHX-UHFFFAOYSA-N;156.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221495;MM221495;CC(F)CC(O)C(F)(F)F;OLQCEEFRGBINSW-UHFFFAOYSA-N;160.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221496;MM221496;CC(C)NC(C)C(C)(C)C;XFZLKYRKYDBZGP-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221497;MM221497;CC(C)OC(C)C(C)(C)O;PNTPTYMAUYNHDE-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221498;MM221498;CN(C)CC(O)C(C)(C)C;FJKOWAMSBRKNAM-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221499;MM221499;CC(CN(C)C)C(C)(C)N;UTHANVUOOWKJLD-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221500;MM221500;CN(C)CC(O)C(C)(C)N;AMUHOICVKAXPSS-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221501;MM221501;CC(N)CN(C)C(C)(C)C;FBXFJXHTSJRROU-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221502;MM221502;CC(O)CN(C)C(C)(C)C;CSOGUQREUKCYOS-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221503;MM221503;C=C(C)CC(C)C(C)(C)C;BZHZRYGGWIRDPM-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221504;MM221504;CC(=O)CC(O)C(C)(C)C;QDSWKHGIZCQXIT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221505;MM221505;CC(C)(C)C(O)CC(=N)N;IODCODOKMAXKQC-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221506;MM221506;CC(C)(C)C(F)CC(=N)N;PYPMNIWDKWYXQJ-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221507;MM221507;CC(C)(C)C(F)CC(N)=O;RDEZKHXPATVELT-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221508;MM221508;C=C(F)CC(C)C(C)(C)N;NMYCMAYMAJYPST-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221509;MM221509;C=C(C)CC(F)C(C)(C)N;VJUXTXOAUPBDRF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221510;MM221510;CC(C)(N)C(F)CC(=N)N;IJMOLQAPQHJHEI-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221511;MM221511;C=NN(CCF)C(=O)NC;RBIMTGDDVYZKHN-UHFFFAOYSA-N;147.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221512;MM221512;CC(CC(=N)N)C(C)(C)O;HPTHDIXYLUIXJV-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221513;MM221513;C=C(C)CC(N)C(C)(C)O;YIMZBOQDZIYTLF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221514;MM221514;CC(=O)CC(O)C(C)(C)O;BWFQHNYIFKCYIN-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221515;MM221515;C=NN(CC)CCC(=O)O;KQVULVLHDWPVHH-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221516;MM221516;C=C(F)CC(O)C(C)(C)O;OHABQHPJLCXEBR-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221517;MM221517;CC(C)(O)C(F)CC(=N)N;UMVFAUHRRHGXTG-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221518;MM221518;C#CCCC(CO)ON=C;XPHXRBKZOYEGFO-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221519;MM221519;CC(C)(F)C(O)CC(=N)N;SRIWZLJGRKJCMS-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221520;MM221520;CC(C)(F)C(F)CC(=N)N;SSKSNYRVKIYVMZ-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221521;MM221521;CC(CC(N)=O)C(C)(F)F;KTQDYAMLPTVKOT-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221522;MM221522;CC(F)(F)C(O)CC(=N)N;KFITUNWSJFNOII-UHFFFAOYSA-N;152.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221523;MM221523;CC(F)(F)C(O)CC(N)=O;ZENAZZKCNMMTIB-UHFFFAOYSA-N;153.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221524;MM221524;CCC#CC(=NN)N(C)O;AXHFKLKTTYSSGY-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221525;MM221525;C#Cc1c[nH]n(C=O)c1=O;UIZAPQFYRCAIPD-UHFFFAOYSA-N;136.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221526;MM221526;CC(NC(=N)N)C(C)(C)C;CORIWKUCRGRWAD-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221527;MM221527;CN(N)C(=NOC=O)NN;MGGVUEMRCKUIMF-UHFFFAOYSA-N;147.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221528;MM221528;CC(NC(=N)N)C(C)(C)N;NFSWMLAYOPJPQU-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221529;MM221529;CC(=N)NC(C)C(C)(C)O;VKEWUWAGBVMPHK-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221530;MM221530;CC(NC(=N)N)C(C)(C)O;ZYBJHUMIESRPDF-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221531;MM221531;CC(NC(N)=O)C(C)(C)O;UELFAOIWTYLNNF-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221532;MM221532;CC(=O)NC(C)C(C)(C)F;XDPBDJGYCBPRBX-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221533;MM221533;CC(NC(=N)N)C(C)(F)F;YXEXGKITCZFPID-UHFFFAOYSA-N;151.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221534;MM221534;C=C(C)OC(C)C(C)(C)C;BOYVTLPSBZBCGC-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221535;MM221535;CC(OC(N)=O)C(C)(C)C;PELZPJXJMUGHHN-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221536;MM221536;CC(OC(=N)N)C(C)(C)N;HMJKKAKFCJIGSY-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221537;MM221537;CC(OC(=N)N)C(C)(C)O;VPBAMIQLGXQGBU-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221538;MM221538;CC(OC(N)=O)C(C)(C)O;XDZKYWNQUZIDIP-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221539;MM221539;CC(OC(N)=O)C(C)(C)F;VNOGAYFBFWTWQI-UHFFFAOYSA-N;149.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221540;MM221540;CC(OC(N)=O)C(C)(F)F;PGPJZCSKGONUQQ-UHFFFAOYSA-N;153.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221541;MM221541;CN(CC(=N)N)C(C)(C)C;CRKWTMFJCMPQQT-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221542;MM221542;CNC(C#N)C(CO)OC;VYCPCHMZPINYMI-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221543;MM221543;CN(NC(=N)N)C(C)(C)C;WOWBLZNOPZQGEF-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221544;MM221544;CC(O)CC(=O)C(C)(C)C;WWXOIJNWSKLMPP-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221545;MM221545;C=C(CC(C)N)C(C)(C)N;MPCRWICBTCKNEW-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221546;MM221546;C=C(CC(C)O)C(C)(C)N;NRSSJMSXEDNEDZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221547;MM221547;C=C(CC(C)N)C(C)(C)O;IKRYPQXEQUZXDO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221548;MM221548;C=C(CC(C)O)C(C)(C)O;ZYVOAMGYKZVAJW-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221549;MM221549;C=C(CC(F)F)C(C)(C)O;RPFRUOBYTHLHIJ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221550;MM221550;C=C(CC(C)N)C(C)(F)F;MLKWKQHQPBSJHP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221551;MM221551;CC(O)CC(=O)C(F)(F)F;QMWQXHSXRNEPIG-UHFFFAOYSA-N;156.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221552;MM221552;CC(C)OC(=O)C(C)(C)O;UTNKPINVMZDAHQ-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221553;MM221553;CC(C)OC(=O)C(C)(C)F;UCCCVIPJGGWSJN-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221554;MM221554;CC(C)OC(=O)C(F)(F)F;ASAXRKSDVDALDT-UHFFFAOYSA-N;156.1;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221555;MM221555;COC(CO)C(C#N)=CN;QMBQNTHHNCEEJC-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221556;MM221556;N=c1nnn(O)c(=O)[nH]1;FTAHEKGKWPAQDF-UHFFFAOYSA-N;129.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221557;MM221557;C=C(CC(=N)N)C(C)(C)C;IHPPTRISWRCRNI-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221558;MM221558;CCC(CO)ON=CC=O;DMPFSHHWVAIUTO-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221559;MM221559;CC(C)(C)C(=O)CC(N)=O;KRVLBTHTMKIAGH-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221560;MM221560;C=C(CC(=N)N)C(C)(C)N;WWODZTBILGXRQI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221561;MM221561;C=C(CC(N)=O)C(C)(C)N;XZPLZFYKRFDKKX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221562;MM221562;C=C(CC(=N)N)C(C)(C)F;BUVZDIQLKYKLMA-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221563;MM221563;C=C(CC(N)=O)C(C)(C)F;PANWAGMURIHIQD-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221564;MM221564;CC(C)(F)C(=O)CC(=N)N;DGEWBIPDEKOKQO-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221565;MM221565;CC(C)(F)C(=O)CC(N)=O;DXHDZNOHUCEHDM-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221566;MM221566;C=C(CC(=N)N)C(C)(F)F;AYGGZFJSTHLYLJ-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221567;MM221567;C#CC=NOC(CC)CO;FEGPZSOOQAMQOD-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221568;MM221568;CC(C)(C)C(=O)NC(N)=O;NJTMPILFXWNYAH-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221569;MM221569;CC(=N)NC(=N)C(C)(C)N;QTWUBUGWGZHTFT-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221570;MM221570;C=C(C)NC(=O)C(C)(C)N;FHFVDSKTOPLUMP-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221571;MM221571;CC(C)(O)C(=N)NC(=N)N;JEUZTCFPRWRBEE-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221572;MM221572;CC(=O)NC(=O)C(C)(C)O;CJJZITMZKXERRT-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221573;MM221573;C=C(NC(=N)N)C(C)(C)F;JGXNIUKDPQJYLF-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221574;MM221574;CC(C)(F)C(=N)NC(N)=O;GOUVJTDAKBWKOD-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221575;MM221575;CC(=O)NC(=O)C(C)(C)F;REYZCKWNYQAPDV-UHFFFAOYSA-N;147.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221576;MM221576;CC(C)(F)C(=O)NC(=N)N;SWMFAEFRXBOOLH-UHFFFAOYSA-N;147.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221577;MM221577;C=C(NC(=N)N)C(C)(F)F;GMMGNGCBYPGPGH-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221578;MM221578;CC(=N)NC(=N)C(C)(F)F;WPBZLFGCHWJKLT-UHFFFAOYSA-N;149.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221579;MM221579;CC(F)(F)C(=N)NC(=N)N;YHTJUPZIGZHROO-UHFFFAOYSA-N;150.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221580;MM221580;C=C(C)OC(=O)C(C)(C)O;QJMAJMGCEWVWNT-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221581;MM221581;CC(C)=CC(C)C(C)(C)C;XCUQPPZXXSKCCO-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221582;MM221582;CC(C)(C)C(N)C=C(F)F;IDZCJTGAIYVEAL-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221583;MM221583;CC(F)=CC(C)C(C)(C)N;HPBMANNRDHZCNR-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221584;MM221584;CC(C=C(F)F)C(C)(C)N;CBFDGHLHCMTZBO-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221585;MM221585;CC(F)=CC(N)C(C)(C)N;ODPJFDMPHANTJJ-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221586;MM221586;CC(C)(N)C(N)C=C(F)F;QKYURMGBQFXBHW-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221587;MM221587;CC(C)(N)C(O)C=C(F)F;IPESFJAWGBTQTR-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221588;MM221588;CC(C)=CC(F)C(C)(C)N;AOFMXTBVFXXGOQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221589;MM221589;CC(C)(N)C(F)C=C(F)F;ULGMECBAMYIPJG-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221590;MM221590;CC(F)=CC(C)C(C)(C)O;AMVPOFOUTMMGHY-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221591;MM221591;CC(C=C(F)F)C(C)(C)O;RTWKCVLDZNSCGH-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221592;MM221592;CC(C)(O)C(N)C=C(F)F;ZTQWHMDJRDLWFF-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221593;MM221593;CC(F)=CC(O)C(C)(C)O;HOYGFDJKGJQFIA-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221594;MM221594;CC(C)(O)C(F)C=C(F)F;MVKKGRAHYJQLFL-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221595;MM221595;CC(C)(F)C(N)C=C(F)F;FZCRGHZKVHXBPJ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221596;MM221596;CC(F)=CC(O)C(C)(F)F;DQZHHSUGISWNSD-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221597;MM221597;OC(C=C(F)F)C(F)(F)F;IFBMZHJDIZBYLG-UHFFFAOYSA-N;162.06;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221598;MM221598;C=C(C=C(F)F)C(C)(C)N;RDVHXRAPNIVKDA-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221599;MM221599;CC(C)(O)C(=O)C=C(F)F;ODSKFVDBLHNYTE-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221600;MM221600;NC(N)=CC(=O)C(F)(F)F;HOPMEUOPPZSHIT-UHFFFAOYSA-N;154.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221601;MM221601;CC(=CC(C)C)C(C)(C)C;DKEFIJYYSLWFOO-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221602;MM221602;C#CC(=NN=CCC)NO;YWAOSXIJMOMHHR-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221603;MM221603;CC(=CC(C)F)C(C)(C)C;HNHHRBKTTQRABX-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221604;MM221604;CC(C)C=C(F)C(C)(C)C;FDNLGXSIYFCQLF-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221605;MM221605;CC(=CC(C)C)C(C)(C)N;SKGOVXQLNFBGMK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221606;MM221606;CC(=CC(C)N)C(C)(C)N;BHFANRPBVWAPBQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221607;MM221607;CC(=CC(C)O)C(C)(C)N;ZDXBLNCDVVYUDK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221608;MM221608;CC(=CC(C)F)C(C)(C)N;BOXCAGAFYBUXLS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221609;MM221609;CC(N)C=C(F)C(C)(C)N;VYQNELIUQWEQQD-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221610;MM221610;CC(F)C=C(F)C(C)(C)N;PKERTFOLWYBKDJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221611;MM221611;C#CCC#CC(=NN)NO;HBVAYUXWCCFUMM-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221612;MM221612;CC(=CC(C)N)C(C)(C)O;UTVAQGAMPPFCMR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221613;MM221613;CC(=CC(C)F)C(C)(C)O;NOVYXEKSVNMPQM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221614;MM221614;CC(=CC(F)F)C(C)(C)O;XGVRIIVDNYPQPC-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221615;MM221615;CC(N)C=C(F)C(C)(C)O;JCUQOZPUWBKALZ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221616;MM221616;CC(O)C=C(F)C(C)(C)O;BENWVBHJDNQPGB-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221617;MM221617;CC(=CC(C)O)C(C)(C)F;HDUKBEFTGITPHK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221618;MM221618;CC(N)C=C(F)C(C)(C)F;WVZCLONYAIKRTD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221619;MM221619;CC(=CC(C)N)C(C)(F)F;KVUXRBOOIFUXTH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221620;MM221620;CC(=CC(C)O)C(C)(F)F;FGVPIQVQVJRWJD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221621;MM221621;CC(=CC(C)O)C(F)(F)F;RAIFHUUPIIEMLJ-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221622;MM221622;CC(=NN(C)C)C(C)(F)F;IFHPBNRSDWOFGI-UHFFFAOYSA-N;150.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221623;MM221623;CC(=O)C=C(C)C(C)(C)C;LPARYLNSXBSISE-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221624;MM221624;C=C(F)C=C(C)C(C)(C)C;XSAWCHDGCKTKTG-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221625;MM221625;CCCn1cc(CO)cn1;QCMPHKAEBCMWNU-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221626;MM221626;CC(=CC(=N)N)C(C)(C)N;GZMIFYPVZYORSU-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221627;MM221627;CC(=CC(N)=O)C(C)(C)N;NNRLPPPRUGUWFS-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221628;MM221628;C=C(F)C=C(C)C(C)(C)N;ATUOCAMPVBLFPV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221629;MM221629;CC(C)(N)C(F)=CC(=N)N;RVKIKSLODHPOIK-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221630;MM221630;CC(C)(N)C(F)=CC(N)=O;RFPDVXGWPWBNHN-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221631;MM221631;CC(=O)C=C(C)C(C)(C)O;UHRHEHLIMVKNTC-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221632;MM221632;CN=c1[nH]c(=O)n(OC)o1;OBVOXWJUBDVBNT-UHFFFAOYSA-N;145.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221633;MM221633;C=C(F)C=C(C)C(C)(C)O;RWHOMPJMVQFMFP-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221634;MM221634;CC(C)(O)C(F)=CC(=N)N;GTYFIRQTMHDHPP-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221635;MM221635;CC(=O)C=C(C)C(C)(C)F;WKGPXQPVOUWQHG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221636;MM221636;CN1CC1(C)C1OC1CO;LLZFTNCRKQTNFV-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221637;MM221637;CC(=O)C=C(C)C(C)(F)F;ZFQGZBCBCCGYJG-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221638;MM221638;NN=c1nccnc(=O)[nH]1;XWPALSBBNOKUFZ-UHFFFAOYSA-N;139.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221639;MM221639;CC(=CC(N)=O)C(F)(F)F;WAIWRGDBOBMWBU-UHFFFAOYSA-N;153.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221640;MM221640;CC(O)C(C)C(C)C(=O)O;OHBGZOSBCSFXHF-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221641;MM221641;CC(N)CC(C)(C)CCO;NBUXQWBZKOTHHF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221642;MM221642;CC(N)CC(C)(C)CCF;GAWWQQRCKDVLNW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221643;MM221643;CC(O)CC(C)(C)CCN;BFAPPXSXEJDHQG-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221644;MM221644;CNc1n[nH]c(CO)c1N;YAHINOZSDBGBQS-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221645;MM221645;CC(F)CC(C)(C)CCN;JLOVCOXAGBNOJZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221646;MM221646;CNC1=C(C)C(=NN)OC1;GQHCUTCOVPXSRT-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221647;MM221647;CCCC(C)(N)CC(C)N;ILRNMRRKEVMWDU-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221648;MM221648;CCCC(C)(N)CC(C)O;CFFQHTLCPMDIQT-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221649;MM221649;CC(O)CC(C)(N)CCN;QTHGRZGWVXXYPE-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221650;MM221650;CCCC(C)(N)CC(C)F;BCMGPOJPMKGJQG-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221651;MM221651;CC(F)CC(C)(N)CCN;GHBNPKLGSOUJBK-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221652;MM221652;CCCC(C)(N)CC(F)F;MTTYHKIQIQTSNY-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221653;MM221653;CCCC(C)(O)CC(C)N;MZRAUSPLOADNFN-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221654;MM221654;CC(N)CC(C)(O)CCN;IVSWWRCMNWLBGX-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221655;MM221655;CCCC(C)(O)CC(C)O;FWDSFJJVDRVTJZ-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221656;MM221656;CC(F)CC(C)(O)CCF;ZFUMNMIYEHZZNW-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221657;MM221657;CC(C)CC(C)(F)CCO;FTZFFWLMUWKMHX-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221658;MM221658;CCCC(C)(F)CC(C)N;OKDGMTDAZFIZSX-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221659;MM221659;CC(N)CC(C)(F)CCF;CZSPGFCTTFSCHI-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221660;MM221660;CCCC(C)(F)CC(C)O;WGJVBEQGFRTJGN-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221661;MM221661;CC(O)CC(C)(F)CCF;PYEBIBOIOIUQBU-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221662;MM221662;CC(F)CC(C)(F)CCN;FCJCYRNOGGSTLF-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221663;MM221663;CC(F)CC(C)(F)CCO;ZCZPMHGOJCFXEF-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221664;MM221664;CC(F)CC(C)(F)CCF;VHPYPCSRLRMAHJ-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221665;MM221665;CCCC(C)(F)CC(F)F;ILSAOOADJWWXFX-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221666;MM221666;CC(F)(CCN)CC(F)F;MNNSCFXWDRZFIX-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221667;MM221667;CC(F)(CCF)CC(F)F;YDFKSCLBQOZKNA-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221668;MM221668;CC(C)CC(F)(F)CCN;NQDIYOFZVCITSV-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221669;MM221669;CC(C)CC(F)(F)CCF;CVEKBYZYSSRDCZ-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221670;MM221670;CCCC(F)(F)CC(C)N;OFVUDRUHCGRFQD-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221671;MM221671;CC(N)CC(F)(F)CCF;GRFFQKBAHRNKAC-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221672;MM221672;CCCC(F)(F)CC(C)O;CHCNRLXMRRSPMZ-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221673;MM221673;CC(O)CC(F)(F)CCN;GLEMBOLDPOUNGD-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221674;MM221674;CC(O)CC(F)(F)CCF;MBFWMONNKLVCQM-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221675;MM221675;CCCC(F)(F)CC(C)F;WGLWUNIMYGCQSQ-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221676;MM221676;CC(F)CC(F)(F)CCN;JQHQYZPRLSHQKG-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221677;MM221677;CC(F)CC(F)(F)CCO;OXOBHKNOEHORMS-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221678;MM221678;CCCC(F)(F)CC(F)F;ZFVCUIXJBBXKBW-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221679;MM221679;NCCC(F)(F)CC(F)F;OYERHMNELNVWSL-UHFFFAOYSA-N;159.13;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221680;MM221680;CNCC(C)(C)CC(C)N;OHCPVUFDUMXFHI-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221681;MM221681;CNCC(C)(C)CC(C)O;NNIGXTKDSFDVNV-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221682;MM221682;CNCC(C)(C)CC(C)F;SNURBLZVAXXDSK-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221683;MM221683;CNCC(C)(C)CC(F)F;LPNBOWUVKKXKCU-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221684;MM221684;CNCC(C)(N)CC(C)N;DPQXXJSKQGOTQR-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221685;MM221685;CNCC(C)(F)CC(C)C;BJQBUYCLOCAJMR-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221686;MM221686;CNCC(C)(F)CC(C)F;YCWRAGKTUDQKBN-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221687;MM221687;CNCC(C)(F)CC(F)F;CKRUOVBJCMFDEM-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221688;MM221688;COCC(C)(C)CC(C)O;WOKMUARULMFXHX-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221689;MM221689;COCC(C)(O)CC(F)F;KEIXDDLHVPCYOK-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221690;MM221690;COCC(C)(F)CC(C)O;URXYBTASWVPAHK-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221691;MM221691;CCNC(C)(C)CC(C)N;SHIJXPLEJWVSKF-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221692;MM221692;CCCC(C)(C)NC(C)C;JMPXDMJUPWATGQ-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221693;MM221693;CC(C)NC(C)(C)CCN;XPGIKMQZLTXFDL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221694;MM221694;CC(C)NC(C)(C)CCO;BYCMMGZQEBIJOM-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221695;MM221695;CC(C)NC(C)(C)CCF;IDPRJYQNTBLSQF-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221696;MM221696;CNCC(C)(C)NC(C)C;BPZDSSQJEODAHM-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221697;MM221697;CN(C)CC(C)(C)CCN;IRLLIJUGYFWTPR-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221698;MM221698;CN(C)CC(C)(C)CCF;GMZNOQQDNSIMFZ-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221699;MM221699;CCCC(C)(N)CN(C)C;KLZGYOBXDCHPRC-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221700;MM221700;CCCC(C)(O)CN(C)C;PDGHGLMSHZDIEW-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221701;MM221701;CCCC(F)(F)CN(C)C;NLAULYAEGMHZRW-UHFFFAOYSA-N;151.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221702;MM221702;CNCC(C)(C)CN(C)C;BBQZSKFYAAETKX-UHFFFAOYSA-N;144.26;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221703;MM221703;CC#CC#Cc1cc[nH]n1;VCXOXBAQRBFFRW-UHFFFAOYSA-N;130.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221704;MM221704;CC(F)CC(C)(C)CC=O;OBAQULGHJREVCH-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221705;MM221705;C=CCC(C)(C)CC(F)F;BVEIPTAFDWABCY-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221706;MM221706;CC(C)(CC=O)CC(F)F;COPPEGUEMSCFAU-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221707;MM221707;C=CCC(C)(N)CC(C)N;ZRKJXOMBZKCHCZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221708;MM221708;C=CCC(C)(N)CC(C)O;VELWYIMWSHKSOJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221709;MM221709;C=CCC(C)(N)CC(C)F;LKTAFLUSBVNPNU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221710;MM221710;C=CCC(C)(N)CC(F)F;UYLBEPYFABCCSQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221711;MM221711;CC(C)CC(C)(O)CC=O;SRPWZFPDNGKQCK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221712;MM221712;C=CCC(C)(O)CC(C)F;PYMCYJMFHTZCKJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221713;MM221713;CC(F)CC(C)(O)CC=O;QEDBIXAZZPZDAK-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221714;MM221714;C=CCC(C)(O)CC(F)F;VHZWNUXZRTWSCB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221715;MM221715;CC(O)(CC#N)CC(F)F;QEBYTTCDJAMCJT-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221716;MM221716;CC(C)CC(C)(F)CC=O;PGFHTLPQIXNSEH-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221717;MM221717;CC(O)CC(C)(F)CC=O;UYSHTZQWAJQKIG-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221718;MM221718;CC(O)CC(C)(F)CC#N;YGUFDAQAOAGHNB-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221719;MM221719;CC(F)CC(C)(F)CC=O;YONCSJAPAPWPBF-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221720;MM221720;C=CCC(C)(F)CC(F)F;NYWDUQPHYUKUDA-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221721;MM221721;C=CCC(F)(F)CC(C)C;IXGQUDWACPZYME-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221722;MM221722;C=CCC(F)(F)CC(C)N;NNUKMCIOELEJOY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221723;MM221723;C=CCC(F)(F)CC(C)O;CZTHNURIXGUMFD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221724;MM221724;CC(O)CC(F)(F)CC=O;DFEOCCHYKJGIOK-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221725;MM221725;C=CCC(F)(F)CC(C)F;YDFBVXYFPMICSF-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221726;MM221726;C=CCC(F)(F)CC(F)F;VYLWYNKWRILDID-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221727;MM221727;CCc1ccc(NO)nc1;VRCKRAYZASGQJO-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221728;MM221728;CC(O)CC(C)(C)NC=N;CBBLWXADZWOTPA-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221729;MM221729;CC(O)CC(C)(C)NC=O;SCLBVPVFSPTLJG-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221730;MM221730;CC(F)CC(C)(C)NC=N;IDYYWPUKVCLQMH-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221731;MM221731;O=Cc1ccc(CO)cn1;WUWFBNSOXRHAGH-UHFFFAOYSA-N;137.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221732;MM221732;CC(C)(CC(F)F)NC=N;KQFWQTYKOIUPAL-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221733;MM221733;CC(C)(CC(F)F)NC=O;QHTTUVDSMSBTNM-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221734;MM221734;C=NNC(C)(C)CC(C)C;KQPIKRKRYCNRSO-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221735;MM221735;C=NNC(C)(C)CC(C)N;CQZPJNBZOZAGMC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221736;MM221736;C=NNC(C)(C)CC(F)F;XLYPXVUKAMICOI-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221737;MM221737;CC(N)CC(C)(C)OC=O;VCXVVZIONWOEGE-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221738;MM221738;CC(O)CC(C)(C)OC=O;ORRAVXSWYWJWDD-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221739;MM221739;CC(C)(CC(F)F)OC=O;QYYZYYSKWUBMNF-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221740;MM221740;NN=C(C#CC1CN1)NO;IJTMGFWTEIFKJR-UHFFFAOYSA-N;140.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221741;MM221741;C=NOC(C)(C)CC(C)F;JRXXYHWXMQDINK-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221742;MM221742;C=CCC(C)(C)NC(C)C;BFHYMVKRRKTJSP-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221743;MM221743;CC(C)NC(C)(C)CC=O;XBGQMDNBIDJWSS-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221744;MM221744;CN(C)CC(C)(C)CC=O;QDYXOFCROOIFCI-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221745;MM221745;C=CCC(F)(F)CN(C)C;AJZYYEPHFKWASW-UHFFFAOYSA-N;149.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221746;MM221746;CN(C)CC(F)(F)CC#N;KJBGRTRGZOKOAG-UHFFFAOYSA-N;148.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221747;MM221747;CN(C)CC(C)(C)NC=N;KTMVZQONJKLAHG-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221748;MM221748;C#CCC(C)(N)CC(C)O;NPPHFXPYRWQHRU-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221749;MM221749;C#CCC(C)(O)CC(C)O;XXKJSOVWPWTJPA-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221750;MM221750;C#CCC(C)(C)NC(C)C;LZLRIUJTXCNOSH-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221751;MM221751;C#CCC(C)(N)CN(C)C;GCQDRXUPISDFNQ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221752;MM221752;OCC1CN1C1(CO)CC1;HLXMCRSOXIUFIN-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221753;MM221753;CC(=O)CC(C)(C)CCF;UHZYBSBCDYZQTE-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221754;MM221754;CCCC(C)(C)CC(=N)N;PBZYGZBHDPFDPB-UHFFFAOYSA-N;142.25;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221755;MM221755;N=C1CN(O)C=N1;HVSYPYXKXNPLHZ-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221756;MM221756;CN(O)C(=N)C(N)=O;CVXARWONXSQOAG-UHFFFAOYSA-N;117.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221757;MM221757;CCC(CO)C(C)C(=O)O;BZKWXJNGYJCFRO-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221758;MM221758;C=C(F)CC(C)(C)CCN;ZJCIMEWGLKINEV-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221759;MM221759;C=C(C)CC(C)(N)CCF;VTYIXRGOYPNZBX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221760;MM221760;CC(N)(CCF)CC(=N)N;JQUIPEMEOYYDJR-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221761;MM221761;CC(N)(CCF)CC(N)=O;OLXRQCPFYVFDGP-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221762;MM221762;C=C(F)CC(C)(N)CCC;LWBPJGAOGJVFAS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221763;MM221763;C=C(F)CC(C)(N)CCO;JLDFEKMMGOUFJR-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221764;MM221764;CCCC(C)(O)CC(=N)N;KVCHDWYFXWCYJR-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221765;MM221765;CCCC(C)(O)CC(N)=O;UUMUYFNUKKZCIQ-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221766;MM221766;CCC(CC(C)O)C(=O)O;SSWKWGMTDDEOIZ-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221767;MM221767;C=C(F)CC(C)(O)CCF;QAOWENKXKRFPLV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221768;MM221768;C=C(C)CC(C)(F)CCN;JNKONWODFHQHAI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221769;MM221769;C=C(C)CC(C)(F)CCF;DDRDIKWXWYODHG-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221770;MM221770;CC(=O)CC(C)(F)CCF;OPKFPWHWYKQOHW-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221771;MM221771;CCCC(C)(F)CC(=N)N;AMDKPJNRKNXEEX-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221772;MM221772;CCCC(C)(F)CC(N)=O;NKHOBXNFNGPQGW-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221773;MM221773;CCCC(C)(F)CC(=O)O;GXJVIPOLFRNQJY-UHFFFAOYSA-N;148.18;1.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221774;MM221774;CC(F)(CCF)CC(=O)O;PWLKUWFTPPLYHA-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221775;MM221775;C=C(C)CC(F)(F)CCC;GQIPSSNXBWQMHE-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221776;MM221776;C=C(C)CC(F)(F)CCN;FMHZPSVAOAWEKU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221777;MM221777;C=C(C)CC(F)(F)CCF;NXQLPDMYFULHTM-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221778;MM221778;CCCC(F)(F)CC(=N)N;XNUUUWNSKAHABG-UHFFFAOYSA-N;150.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221779;MM221779;N=C(N)CC(F)(F)CCN;YWXIFZCOTUUKOP-UHFFFAOYSA-N;151.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221780;MM221780;N=C(N)CC(F)(F)CCO;LEHRFPOQKRKVQH-UHFFFAOYSA-N;152.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221781;MM221781;CCCC(F)(F)CC(N)=O;BKSYXKWQTSSEBK-UHFFFAOYSA-N;151.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221782;MM221782;NC(=O)CC(F)(F)CCO;GXVCKTBPLGEFPF-UHFFFAOYSA-N;153.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221783;MM221783;CCCC(F)(F)CC(=O)O;DMTVFSYZAZVLNZ-UHFFFAOYSA-N;152.14;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221784;MM221784;C=C(F)CC(F)(F)CCN;OXHQNEANBKJTHH-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221785;MM221785;C=C(C)CC(C)(C)CNC;KTFZLQGMPYZDAF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221786;MM221786;CNCC(C)(C)CC(=N)N;HPKSZDCPHPTWSH-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221787;MM221787;CNCC(C)(C)CC(N)=O;ZVJKLMDVBWQSJW-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221788;MM221788;C=C(F)CC(C)(C)CNC;XXCKXGKLQAWAFQ-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221789;MM221789;C=C(F)CC(C)(N)CNC;JPZCACBRTWPEMJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221790;MM221790;CNCC(F)(F)CC(=N)N;DLYACXYSNCFVLD-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221791;MM221791;COCC(C)(C)CC(=N)N;FQETYFBGMPMODV-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221792;MM221792;CC(C)C(CCO)C(=O)O;YURBRVKHPSETAL-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221793;MM221793;COCC(C)(F)CC(=N)N;NNNFUZGKFWDTOA-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221794;MM221794;C=C(C)CC(C)(C)NCC;DNJZKZNPWXJLMM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221795;MM221795;CCNC(C)(C)CC(N)=O;PDIDCGJILZSZQY-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221796;MM221796;CCOC(C)(C)CC(N)=O;NOBJPDJIBMUJRG-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221797;MM221797;CCCC(C)(C)NC(C)=N;YESRXXYPUOESTN-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221798;MM221798;CC(=N)NC(C)(C)CCF;MALVIMRFNHFXBN-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221799;MM221799;NN=CN(O)C1CC1;NKAPQELWVODRQN-UHFFFAOYSA-N;115.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221800;MM221800;CC(=O)NC(C)(C)CCF;XAHPEPKAVSXCQA-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221801;MM221801;CCCC(C)(C)NC(=N)N;SCOVWVAYADUCNQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221802;MM221802;CC(C)(CCN)NC(=N)N;DXCYQAGAUOHOGW-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221803;MM221803;CC(C)(CCO)NC(=N)N;JIFPMRVOZSTTNG-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221804;MM221804;CCCC(C)(C)NC(N)=O;YNTARSQYHLHBGV-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221805;MM221805;CC(C)(CCN)NC(N)=O;PEJJNGQGQDIWCM-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221806;MM221806;CC(C)(CCO)NC(N)=O;GSWYZLZNAFFASS-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221807;MM221807;CNCC(C)(C)NC(C)=N;OEKVLBPRTRVCRF-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221808;MM221808;CNCC(C)(C)NC(N)=O;HHFDHFJRMISGFN-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221809;MM221809;COCC(C)(C)NC(C)=O;UOQGCAZWBCCDBH-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221810;MM221810;CC(=O)OC(C)(C)CCO;OPUPKMSXVSBMAZ-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221811;MM221811;CCCC(C)(C)OC(=N)N;QBBSBBBDUJKHJF-UHFFFAOYSA-N;144.22;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221812;MM221812;CC(C)(CCN)OC(=N)N;HXIZFPLVWAGKEK-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221813;MM221813;CC(C)(CCO)OC(=N)N;PSQCFITTWSJVPB-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221814;MM221814;CCCC(C)(C)OC(N)=O;GBTDBGCFBSEIRV-UHFFFAOYSA-N;145.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221815;MM221815;CC(C)(CCO)OC(N)=O;ICHFWEPKJJKMGQ-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221816;MM221816;C=C(C)OC(C)(C)CNC;AETFFVKCWCVHMM-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221817;MM221817;CNCC(C)(C)OC(N)=O;JNWYBBGLUPEFNG-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221818;MM221818;COCC(C)(C)OC(N)=O;MVAMXBLEHSSYNI-UHFFFAOYSA-N;147.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221819;MM221819;CCOC(C)(C)OC(N)=O;XTLRQWQNXTUKGV-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221820;MM221820;C=C(C)CC(C)(C)CC=O;WQBLKHPPSXEJGG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221821;MM221821;C=CCC(C)(C)CC(=N)N;IXYFONVQNQVTSC-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221822;MM221822;CC(C)(CC=O)CC(=N)N;FGHBFPVRCAGVPX-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221823;MM221823;CC(C)(CC#N)CC(=N)N;NMYCVTKOGFCAPV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221824;MM221824;C=C(F)CC(=O)C(=N)N;FXZBLNHOJRLIAZ-UHFFFAOYSA-N;130.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221825;MM221825;C=NN1CC1C(C)(C)O;GGXIBNLGLZLOBL-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221826;MM221826;C=CCC(C)(C)CC(=O)O;MBELKQCJRIUFEJ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221827;MM221827;Cc1c(O)noc1CF;RKQCLJXVGKVPFB-UHFFFAOYSA-N;131.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221828;MM221828;C=C(F)CC(C)(C)CC=O;ZNCRPYWRGHBHNY-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221829;MM221829;C=CCC(C)(N)CC(=N)N;FJTRMHWRAIGGGW-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221830;MM221830;C=CCC(C)(N)CC(=C)F;CIRUENPPEJGQEY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221831;MM221831;C=CCC(C)(O)CC(C)=O;CBRSAFHAJGLLOQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221832;MM221832;CC(=O)CC(C)(O)CC=O;SKCKUVQLYZRYME-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221833;MM221833;CC(O)(CC#N)CC(=N)N;MUBSYLOOOZOSJM-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221834;MM221834;CC(O)(CC#N)CC(N)=O;DMOZHJIUMREQSC-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221835;MM221835;CC#CCC(C#N)=NO;KCIXEICOCJAHLU-UHFFFAOYSA-N;122.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221836;MM221836;C=C(F)CC(C)(O)CC#N;QDMWUGSPDCMHPG-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221837;MM221837;C=CCC(C)(F)CC(C)=O;DYUVJYXGHUVIAP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221838;MM221838;CC(=O)CC(C)(F)CC=O;UCDCTIKDLHDYGC-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221839;MM221839;CC(F)(CC=O)CC(=N)N;HXWIWNXVGTYNJP-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221840;MM221840;C=CCC(C)(F)CC(=O)O;KMCOEKBKBXTVBP-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221841;MM221841;C=C(F)CC(C)(F)CC=O;WVNCXHNFYKLCTM-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221842;MM221842;C=CCC(F)(F)CC(=C)C;KTFUBYUVEQDFLV-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221843;MM221843;C=CCC(F)(F)CC(=N)N;UYDVWEZWVCOPTE-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221844;MM221844;N=C(N)CC(F)(F)CC=O;BAOLHEYTTMIDOE-UHFFFAOYSA-N;150.13;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221845;MM221845;C=C(C)CC(C)(C)NC=N;WBWJHXXCGDEQOK-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221846;MM221846;CC(CO)ON=CNN;BFMSGEMBMWNHNH-UHFFFAOYSA-N;133.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221847;MM221847;CC(C)(CC(=N)N)NC=N;NQZUYUNJGQOIMK-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221848;MM221848;CC(C)(CC(=N)N)NC=O;ZLFPWDRPHDGFJE-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221849;MM221849;CC(C)(CC(N)=O)N=CN;BVKKOWLXECHLMQ-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221850;MM221850;CC(C)(CC(N)=O)NC=O;YLPUMISMAOZDNU-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221851;MM221851;C=CC#CCC(C#N)=NO;BAHNCXNHLPOIRW-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221852;MM221852;C=C(F)CC(C)(C)NC=N;DUNIYVGDGMGGSV-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221853;MM221853;C=NNC(C)(C)CC(=N)N;QKJUHQAWPVCGKT-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221854;MM221854;CC(=O)CC(C)(C)OC=O;OHVAJSCRQQLMFX-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221855;MM221855;CC(C)(CC(=N)N)OC=O;RSGPVQZCECKQPE-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221856;MM221856;CC(C)(CC(N)=O)OC=O;WCQFLOUUWSWXOW-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221857;MM221857;CC(CCO)C(C)C(=O)O;RMCSELPCFZXZMG-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221858;MM221858;C=NOC(C)(C)CC(=N)N;WESHFINCLBWEQQ-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221859;MM221859;CCOC(=NO)C(O)C#N;SDFRPTQACXRNKE-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221860;MM221860;C=CCC(C)(C)NC(C)=N;DPUYKNJKWGZAOD-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221861;MM221861;CC(=N)NC(C)(C)CC=O;VIQAWIWJYLSLJO-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221862;MM221862;CC(=N)NC(C)(C)CC#N;GZGRALIDUOTLLC-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221863;MM221863;CCC=NOC(C)CO;XBQWDQUQJAKSFT-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221864;MM221864;C=CCC(C)(C)NC(=N)N;IIAHNNBDLUPVFW-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221865;MM221865;C=CCC(C)(C)NC(N)=O;WMRUWWWGQIRBLD-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221866;MM221866;CC(C)(CC=O)NC(N)=O;NOXYMJJRUIMOBX-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221867;MM221867;C=C(C)OC(C)(C)CC=O;WBLALOXQNGSUJV-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221868;MM221868;C=CCC(C)(C)OC(=N)N;KWQMSSLJYGWRCK-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221869;MM221869;C=CCC(C)(C)OC(N)=O;LBOVDFDNWJRRIN-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221870;MM221870;CC(C)(CC#N)OC(N)=O;AFCTUKSQTSHXEZ-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221871;MM221871;C#CCC(C)(C)CC(C)=O;PXIVGHUHGWWZJQ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221872;MM221872;C#CCC(C)(C)CC(=N)N;VDUUVRYMIKPEFR-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221873;MM221873;COC=NOC(C)CO;QYOAYVZJCYFYMB-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221874;MM221874;C#CCC(C)(C)CC(=O)O;QNIOGKVSLMRMAK-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221875;MM221875;C#CCC(C)(O)CC(C)=O;DFSBYCHCWXUFBR-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221876;MM221876;Cc1nnc(=NO)oc1O;WESWDDUZAKUZTE-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221877;MM221877;C#CCC(F)(F)CC(N)=O;OBTWUOXUHLJRSN-UHFFFAOYSA-N;147.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221878;MM221878;C#CCC(C)(C)NC(C)=N;VMZVDRBUOSFBTR-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221879;MM221879;C#CCC(C)(C)NC(C)=O;GDGNCNIFXGQCJA-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221880;MM221880;C#CCC(C)(C)NC(=N)N;NKDGMTBNYAQKDB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221881;MM221881;C#CCC(C)(C)NC(N)=O;JDLDOUHYTSGTKL-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221882;MM221882;C#CCC(C)(C)OC(C)=O;AQHPXXFEOINLOZ-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221883;MM221883;C#CCC(C)(C)OC(=N)N;YUDWRZMCJDVMMC-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221884;MM221884;C#CCC(C)(C)OC(N)=O;CZNJRRGJWXHZHV-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221885;MM221885;CC(N)CC(C)(C)C=CF;SGDLKUIEAMIMMO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221886;MM221886;CC(C)CC(C)(N)C=CF;FKHXNGLLJAPBMU-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221887;MM221887;CC=CC(C)(N)CC(C)N;UIGCFZJHHYJUKB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221888;MM221888;CC=CC(C)(N)CC(C)O;XSXXWFTUCNCQJU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221889;MM221889;CC(N)(C=CF)CC(F)F;KWBUWCDKFWUYHY-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221890;MM221890;CC=CC(C)(O)CC(C)N;MEUKAPRUAAWJFH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221891;MM221891;CC=CC(C)(O)CC(C)O;RAZWMLUROZHESJ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221892;MM221892;CC(F)CC(C)(O)C=CF;JSHKHIZVJBFXSW-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221893;MM221893;CC=CC(C)(F)CC(C)N;QCDMHGQONRXVBT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221894;MM221894;CC(N)CC(C)(F)C=CF;JSHWRCYXLWFPKP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221895;MM221895;CC(O)CC(C)(F)C=CF;JIXOBAOLPGUTPP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221896;MM221896;CC(F)CC(C)(F)C=CF;ZGSVNHNGJMKNGV-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221897;MM221897;C=CC=NOC(C)CO;IPTZMMNBZSEHBK-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221898;MM221898;CC(O)CC(C)(C)C=NO;TUYNEROZZVBYEQ-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221899;MM221899;CC(C)(C=NN)CC(F)F;XNENOQNMCFKKIG-UHFFFAOYSA-N;150.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221900;MM221900;CC(C)CC(C)(F)C=NN;FDRYJAPBHSFONI-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221901;MM221901;CC(F)(C=NN)CC(F)F;AAFPQPOHZWATEF-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221902;MM221902;O=c1nnc(=NO)nc[nH]1;YSBNHRYCBFQJPJ-UHFFFAOYSA-N;141.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-10.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221903;MM221903;CC(C)NC(C)(C)C=CF;UDLWINADSZUZEC-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221904;MM221904;CC(C)NC(C)(C)C=NO;UYFWUDWXMGCIAW-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221905;MM221905;CC(C)OC(C)(C)C=NO;DGNBQWSTRDETCC-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221906;MM221906;CN(C)CC(C)(C)C=NN;AVZXJPGNQRWTPK-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221907;MM221907;CN(C)CC(C)(C)C=NO;NIPIGLDIXOVHQN-UHFFFAOYSA-N;144.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221908;MM221908;CN(C)CC(C)(O)C=NN;XBODLOYYDIRCBJ-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221909;MM221909;CC=CC(C)(C)CC(=N)N;GWTXQAATIPTZTK-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221910;MM221910;CC(C)(C=CF)CC(=N)N;ZWPPFVUDQFHGLB-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221911;MM221911;CC(CO)ON=CC=O;XSSODQNSQLCCDS-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221912;MM221912;CC1=NC(C=O)CN1O;UHLXLDIXWSWQGW-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221913;MM221913;CC(C)(C=CF)CC(=O)O;RVLBNQZLOWJVPU-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221914;MM221914;CC(N)(C=CF)CC(=N)N;FHXOPAKTBCBIPO-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221915;MM221915;C=C(F)CC(C)(N)C=CF;UGJZLOACGHRRDB-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221916;MM221916;CC(O)(C=CF)CC(=N)N;RORUWIKCWWOIGF-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221917;MM221917;CC=CC(C)(O)CC(N)=O;KXUVWPNJIWFENP-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221918;MM221918;CC(O)(C=CF)CC(N)=O;OXMGKHVIWAGPLZ-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221919;MM221919;C=C(C)CC(C)(F)C=CF;OAPLZFPMARPYBT-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221920;MM221920;CC=CC(C)(F)CC(=N)N;UZSXTAHZEUMGOW-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221921;MM221921;CC(F)(C=CF)CC(=N)N;DQUXNXKLDBBMFW-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221922;MM221922;CC=CC(C)(F)CC(N)=O;NZPIRUZZFUAKNU-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221923;MM221923;CC=CC(C)(F)CC(=O)O;DXENLOALEAHQMF-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221924;MM221924;CC=CC(F)(F)CC(=N)N;YSWKNZGURIRRAA-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221925;MM221925;CC(=O)CC(C)(C)C=NO;QVSVFZUZGZWRRI-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221926;MM221926;CC(C)(C=NN)CC(=N)N;JNSCOYGAVIJRPL-UHFFFAOYSA-N;142.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221927;MM221927;CC(C)(C=NO)CC(=N)N;LAJLGEAJGJUZSH-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221928;MM221928;C#CC1CN(O)C(C)=N1;PPRJKCIBJMMQFS-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221929;MM221929;CC(F)(C=NN)CC(=N)N;LJRZLXMHYRLELR-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221930;MM221930;CC=CC(C)(C)NC(C)=N;VGKCLURAUQOYLU-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221931;MM221931;CC(=N)NC(C)(C)C=CF;RSFUGACAVJTJAD-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221932;MM221932;CNc1n[nH]c(N)c1F;RCYPDRNGEZDKTC-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221933;MM221933;CC(=O)NC(C)(C)C=CF;WCEXAWKAUMLWQB-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221934;MM221934;CC=CC(C)(C)NC(=N)N;ZRPCIEWFMMCQOY-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221935;MM221935;CC=CC(C)(C)NC(N)=O;YDAGBILAFOPQAW-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221936;MM221936;CC(C)(C=CF)NC(N)=O;AHNMOMBIBSGUNW-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221937;MM221937;CC(C)(C=NO)NC(=N)N;HJABCNJEACZUPA-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221938;MM221938;CC(C)(C=NO)NC(N)=O;HXNBVYSVQDXFML-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221939;MM221939;CC=CC(C)(C)OC(=N)N;XDCUITHOBJBPMY-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221940;MM221940;CC(C)(C=CF)OC(=N)N;RPMUJQONGBZMAH-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221941;MM221941;CC=CC(C)(C)OC(N)=O;GNUJTLNBWCNAQE-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221942;MM221942;CC#CC(C)(C)CC(C)C;RLKCXALLJHRNRT-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221943;MM221943;CC#CC(C)(C)CC(C)N;NVIIOMBUGJHMTP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221944;MM221944;CC#CC(C)(C)CC(C)F;HOKIBSCGEMGRIT-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221945;MM221945;CC#CC(C)(N)CC(C)F;FFQFCQADMJMGPO-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221946;MM221946;CC#CC(C)(N)CC(F)F;WUYDZOJDTWNWFM-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221947;MM221947;CC#CC(C)(O)CC(C)C;IBMDMMHVQBGXFG-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221948;MM221948;CC#CC(C)(O)CC(C)N;VCSNHXIOKIMNSF-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221949;MM221949;CC#CC(C)(O)CC(F)F;FTSLUOBZWKUHSX-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221950;MM221950;CC#CC(C)(C)NC(C)C;VRSJKJJJSDWTSB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221951;MM221951;CC#CC(C)(C)CN(C)C;CMTMSUPJAUAFCU-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221952;MM221952;CC#CC(C)(C)CC(C)=O;YVFHUIIWOOHUQP-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221953;MM221953;CC#CC(C)(C)CC(=N)N;JSKBHHSESDCQLE-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221954;MM221954;CC#CC(C)(C)CC(N)=O;FWQFLSUDBIAMHC-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221955;MM221955;C=C(C)CC(C)(N)C#CC;ABBOGGBZPYFWLQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221956;MM221956;C=C(F)CC(C)(N)C#CC;RUMLVKVUSAKQAI-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221957;MM221957;C=C(C)CC(C)(O)C#CC;IJLPNWYCAHXQFD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221958;MM221958;CC#CC(C)(O)CC(C)=O;XKDIFPQSGBLBCJ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221959;MM221959;Cc1[nH]n(O)c(=O)c1N;WSWNUZCVSCFZLL-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221960;MM221960;C=C(F)CC(C)(O)C#CC;KGTYTGDODYWVGO-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221961;MM221961;CC#CC(C)(F)CC(N)=O;UNYVRWNBYLOGLO-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221962;MM221962;CC#CC(C)(C)NC(C)=N;DVEPIEORVGGNRM-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221963;MM221963;CC#CC(C)(C)NC(C)=O;KUUWJTMCIUXHIC-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221964;MM221964;CC#CC(C)(C)NC(N)=O;MCNVLCYOZXLQOF-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221965;MM221965;CC#CC(C)(C)OC(=N)N;AJOQZODDFWXKJN-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221966;MM221966;CC#CC(C)(C)OC(N)=O;VBIMCUVAVDNMIM-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221967;MM221967;CC(F)=CC(C)(C)CCN;KBNBALILZMFMDX-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221968;MM221968;CC(C)=CC(C)(N)CCF;IIBAYBNGSJYUFB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221969;MM221969;CCCC(C)(N)C=C(C)F;MYFNURIVZYBQRQ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221970;MM221970;CC(F)=CC(C)(N)CCO;VQQLDLUADFKFIJ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221971;MM221971;CC(F)=CC(C)(N)CCF;WNTDBTDJNDFEFD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221972;MM221972;CCCC(C)(N)C=C(F)F;LGWHCAVVQMGFNF-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221973;MM221973;CC(N)(C=C(F)F)CCO;HRLJMNVTEKQSLY-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221974;MM221974;CC(N)(C=C(F)F)CCF;FTEHZIKUKCBLBU-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221975;MM221975;CC(C)=CC(C)(O)CCF;HDYINKFPYUOIPD-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221976;MM221976;CC(F)=CC(C)(O)CCN;JSRKGEHEOZNZKY-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221977;MM221977;CC(F)=CC(C)(O)CCF;QZXTZXOATCIEKW-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221978;MM221978;CC(O)(C=C(F)F)CCN;KFFIYHXAKYLDCJ-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221979;MM221979;CC(O)(C=C(F)F)CCO;MRKAMDUXGSELMI-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221980;MM221980;CC(C)=CC(C)(F)CCN;LQTKJEORUTYJPF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221981;MM221981;CC(C)=CC(C)(F)CCO;MMJLUWIOEXKGRH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221982;MM221982;CC(C)=CC(C)(F)CCF;LKHDCVJYNHYSOE-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221983;MM221983;CC(F)=CC(C)(F)CCN;BBCAHHXWNWHZRP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221984;MM221984;CC(C)=CC(F)(F)CCN;BUJNXMPRXXTGHX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221985;MM221985;CC(C)=CC(F)(F)CCF;WASCBDCTZWVQGB-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221986;MM221986;CNCC(C)(C)C=C(C)C;WXHVQPBSGSEGAX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221987;MM221987;CNCC(C)(C)C=C(C)F;JIDWLLILFJSTDB-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221988;MM221988;CNCC(C)(F)C=C(C)F;GFIWHZCKSTWSGG-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221989;MM221989;CCNC(C)(C)C=C(C)C;ZWMDLEDMIUWUSZ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221990;MM221990;CC(C)=CC(C)(C)CC=O;TUBHXBDXFKHYFV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221991;MM221991;CC(F)=CC(C)(C)CC=O;VLZCIKAJIQTVHP-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221992;MM221992;C=CCC(C)(C)C=C(F)F;DQHDKRKAXYHDGI-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221993;MM221993;CC(C)(C=C(F)F)CC=O;FYDCIBIMOYNCGE-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221994;MM221994;C=CCC(C)(N)C=C(C)F;YKDYRQHMIJMCTM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221995;MM221995;C=CCC(C)(N)C=C(F)F;PGIYTBWOPCFVII-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221996;MM221996;CC(F)=CC(C)(O)CC=O;CBOZNIMZGGNJSU-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221997;MM221997;CC(F)=CC(C)(O)CC#N;GSSJIDWPLLTYJN-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221998;MM221998;C=CCC(C)(O)C=C(F)F;ACOUTIOWIYJSAA-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM221999;MM221999;CC(C)=CC(C)(F)CC=O;MTVROCVPLDZKBB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222000;MM222000;CC(F)=CC(C)(F)CC=O;XTMSXWYBIJFYOH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222001;MM222001;C=CCC(C)(F)C=C(F)F;CQGCNVSTCBFMSF-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222002;MM222002;CC(F)(C=C(F)F)CC=O;YOKKXTHFEUXCJS-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222003;MM222003;C=CCC(F)(F)C=C(C)C;YFHZAEWJKOGHOT-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222004;MM222004;CC(C)=CC(C)(C)NC=N;CQJKVBSLGSGBMA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222005;MM222005;Cc1c(N)n[nH]c1C#N;TWZRIQGTCJZQHN-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222006;MM222006;CC(N)(C=CF)C=C(F)F;XVGPOPPCAUWSOA-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222007;MM222007;CC(C)(C=NN)C=C(F)F;XVVVBYRPCFMMKF-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222008;MM222008;CC#CC(C)(C)C=C(F)F;BNLHULLIYFFZTG-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222009;MM222009;CC#CC(C)(N)C=C(F)F;JJHQWRPNKHGNMU-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222010;MM222010;CC(C)CC(C)(C)C(C)C;GCGFXFIPOBRMQT-UHFFFAOYSA-N;142.29;3.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222011;MM222011;CC(N)CC(C)(C)C(C)C;VINDIWISUFORAE-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222012;MM222012;CNN=CC(C=O)C=O;YOQMJPQFCCJPST-UHFFFAOYSA-N;128.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222013;MM222013;CC(C)CC(C)(C)C(C)N;PXIMKCONUZQJCB-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222014;MM222014;CC(N)CC(C)(C)C(C)N;HWPGZBHAUFCFAY-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222015;MM222015;CC(O)CC(C)(C)C(C)N;MYCFWAVRDQBOEH-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222016;MM222016;CC(F)CC(C)(C)C(C)N;RCGOVIJGYPPCRN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222017;MM222017;CC(N)C(C)(C)CC(F)F;LKAVBEYGRFXLMQ-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222018;MM222018;CC(N)CC(C)(C)C(C)O;QMOVQHNMGBJWDI-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222019;MM222019;CC(O)CC(C)(C)C(C)O;DQCNVHDYCALYIF-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222020;MM222020;CC(O)C(C)(C)CC(F)F;SUEZDOZAGTVLGQ-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222021;MM222021;CC(N)CC(C)(C)C(C)F;FDOQEQQUHFNEGP-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222022;MM222022;CC(O)CC(C)(C)C(C)F;XDWIFCNSJADCKM-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222023;MM222023;CC(F)C(C)(C)CC(F)F;YCTNCLHRSGCYBP-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222024;MM222024;CC(N)CC(C)(C)C(F)F;VCYUFESTCKRNER-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222025;MM222025;CC(O)CC(C)(C)C(F)F;XSWQRGDZSDHHBY-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222026;MM222026;CC(F)CC(C)(C)C(F)F;SXDDRFXYJGUPOS-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222027;MM222027;CC(C)(CC(F)F)C(F)F;WCYQHTJGGCAAIM-UHFFFAOYSA-N;158.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222028;MM222028;CC(C)CC(C)(N)C(C)C;KAYZHQGDBUETBT-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222029;MM222029;CC(N)CC(C)(N)C(C)C;ODKMOKWJJVWOQZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222030;MM222030;CC(O)CC(C)(N)C(C)C;GBSHRMDGYPSNRH-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222031;MM222031;CC(F)CC(C)(N)C(C)C;ZGKJVRHZZZISDA-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222032;MM222032;CC(C)C(C)(N)CC(F)F;FQUDGVYUVHAQCF-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222033;MM222033;CC(F)C(C)(N)CC(F)F;ZEXOGZQJYBBINE-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222034;MM222034;CC(N)CC(C)(N)C(F)F;NSXHFSCABHESEO-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222035;MM222035;CC(N)CC(C)(O)C(C)C;YUADYOSUAZENTJ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222036;MM222036;CC(O)CC(C)(O)C(C)C;UPZJPQJUBMOPKQ-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222037;MM222037;CC(F)CC(C)(O)C(C)C;QFWCNPQPAPBPFI-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222038;MM222038;CC(C)C(C)(O)CC(F)F;YKVFRZROMMTNOX-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222039;MM222039;CC(N)CC(C)(O)C(C)O;YVHURPYKVBDOLG-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222040;MM222040;CC(O)CC(C)(O)C(C)F;GBJPOXSARVKHNX-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222041;MM222041;CC(N)CC(C)(O)C(F)F;NGGQPCALNAAONV-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222042;MM222042;CC(O)CC(C)(O)C(F)F;INHFBPQALGIFSR-UHFFFAOYSA-N;154.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222043;MM222043;CC(N)CC(C)(F)C(C)C;YPSZZIZXQLTZHK-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222044;MM222044;CC(O)CC(C)(F)C(C)C;MSSDPASNBKWVPI-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222045;MM222045;CC(C)C(C)(F)CC(F)F;WAPCMBHFZRBNGQ-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222046;MM222046;CC(F)CC(C)(F)C(C)N;IVSICSBOWMYRPM-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222047;MM222047;CC(N)C(C)(F)CC(F)F;ICRHIRWPQPCTKP-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222048;MM222048;CC(N)CC(C)(F)C(C)F;BOCGFYHACVPELU-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222049;MM222049;CC(O)CC(C)(F)C(C)F;GXZVWDLZSAVTON-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222050;MM222050;CC(F)CC(C)(F)C(C)F;GUGZVXCEAAWBIM-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222051;MM222051;CC(F)C(C)(F)CC(F)F;JVKFDELJEGZPJM-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222052;MM222052;CC(N)CC(C)(F)C(F)F;SYQWDXNCBMITCI-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222053;MM222053;CC(O)CC(C)(F)C(F)F;SHCCANDNCGUWKT-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222054;MM222054;CC(F)(CC(F)F)C(F)F;XKFILAKYCNNKPH-UHFFFAOYSA-N;162.1;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222055;MM222055;CC(N)CC(F)(F)C(C)C;BOKLYBOAMUJLPK-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222056;MM222056;CC(O)CC(F)(F)C(C)C;GBECFSZZILNZNO-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222057;MM222057;CC(F)CC(F)(F)C(C)C;PQYHZBVUQZTHAZ-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222058;MM222058;CC(C)C(F)(F)CC(F)F;WWVAUSIPVJHENL-UHFFFAOYSA-N;158.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222059;MM222059;CC(O)CC(F)(F)C(C)F;REAXVOBOHYRVLY-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222060;MM222060;CC(C)NC(C)(C)C(C)C;RGWFHCMKBAMWDX-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222061;MM222061;CC(C)NC(C)(C)C(C)N;WCOQSGJNBHOWMP-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222062;MM222062;CC(C)NC(C)(C)C(C)O;RUOYUMVMUDDVGX-UHFFFAOYSA-N;145.25;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222063;MM222063;CC(C)OC(C)(C)C(C)C;HWSZQDNHIHDEAM-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222064;MM222064;CC(N)C(C)(C)CN(C)C;ICEDGCVQOZKTIH-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222065;MM222065;CC(F)C(C)(C)CN(C)C;RZBSJVKHAWCPLJ-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222066;MM222066;CC(C)C(C)(N)CN(C)C;LWPNWIQQKRICOP-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222067;MM222067;CC(N)C(C)(O)CN(C)C;JNOLMPXAPGMLDD-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222068;MM222068;CC(O)C(C)(O)CN(C)C;NWBGVFLAJCTWKD-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222069;MM222069;CC(C)CC(C)(C)N(C)C;MBJHTRXUABGQAC-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222070;MM222070;CC(N)CC(C)(C)N(C)C;LGECWILINPRWCC-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222071;MM222071;CC(O)CC(C)(C)N(C)C;LKABZOLYCFFFOH-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222072;MM222072;CC(F)CC(C)(C)N(C)C;VYYKTQDXMDPJFV-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222073;MM222073;C=C(C)CC(C)(C)C(C)C;KFODRNDSDCMPIQ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222074;MM222074;CC(=O)CC(C)(C)C(C)C;TXPSNGVYUTVIGZ-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222075;MM222075;CC(C)C(C)(C)CC(=N)N;JTBSHYIXYIUIFC-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222076;MM222076;O=CC(F)C=NN1CC1;OEUXBENUQPYZNE-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222077;MM222077;CC(C)C(C)(C)CC(=O)O;HDVLUJUXSWZYQA-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222078;MM222078;CC(N)C(C)(C)CC(N)=O;PIVQPMMTZCJKGM-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222079;MM222079;C=C(F)CC(C)(C)C(C)N;UPXRCRSVWGCLKT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222080;MM222080;CC(=O)CC(C)(C)C(C)O;JUEYTOXKFQLZBD-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222081;MM222081;CC(F)C(C)(C)CC(=N)N;HBWOOKPNYLRFLG-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222082;MM222082;N#CC12CC1N(O)C=N2;PTEUXXYWAVZOTO-UHFFFAOYSA-N;123.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222083;MM222083;CC(F)C(C)(C)CC(=O)O;NFQCFTGRJNGILO-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222084;MM222084;C=C(C)CC(C)(C)C(F)F;KHOIVUPBFNCACA-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222085;MM222085;CC(C)(CC(N)=O)C(F)F;NFVPGBAHOPMSRR-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222086;MM222086;CC(C)(CC(=O)O)C(F)F;GFVUMPMTUSZRAR-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222087;MM222087;CC(C)C(C)(N)CC(N)=O;ZLHKFGJQNUJWQO-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222088;MM222088;C=C(F)CC(C)(N)C(C)C;UWBORCISYUNAHB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222089;MM222089;CC(F)C(C)(N)CC(=N)N;RAGCLBWCXDXDMZ-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222090;MM222090;CC(C)C(C)(O)CC(=N)N;YDCHLTAYYGWBTL-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222091;MM222091;CC(F)C(C)(O)CC(=N)N;OQCLUNRQNUSQBQ-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222092;MM222092;CC(F)C(C)(O)CC(N)=O;OYTFBIRLXGHNMM-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222093;MM222093;CC(=O)CC(C)(O)C(F)F;LMEBBWFYXUAEAL-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222094;MM222094;NN=c1oc(O)c(F)n1O;HACVDUBNYVOBOL-UHFFFAOYSA-N;149.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222095;MM222095;CC(C)C(C)(F)CC(=N)N;ADYMIAJLSBNNKH-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222096;MM222096;CC(C)C(C)(F)CC(N)=O;HPBGCGYPBBEKBA-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222097;MM222097;CC(C)C(C)(F)CC(=O)O;AENFZZZIDYJWRR-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222098;MM222098;C=C(C)CC(C)(F)C(C)N;DZXBMMZJQMYLDE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222099;MM222099;C=C(F)CC(C)(F)C(C)N;CQGCQHXRXFAQKT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222100;MM222100;CC(O)C(C)(F)CC(=N)N;DQQUNPPLYUMFIB-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222101;MM222101;CC(O)C(C)(F)CC(N)=O;BKYKMRMVLWCJBT-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222102;MM222102;CC(F)C(C)(F)CC(=N)N;MPLROAOBYHIXJP-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222103;MM222103;CC(F)C(C)(F)CC(N)=O;FCQRNHKQKNOVHI-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222104;MM222104;CC(F)C(C)(F)CC(=O)O;GTHIXTZGUYVTNJ-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222105;MM222105;CC(F)(CC(=N)N)C(F)F;OXPLCZCKABUHGX-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222106;MM222106;C=C(C)CC(F)(F)C(C)C;AWCSNSCVVBQRLB-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222107;MM222107;CC(C)C(F)(F)CC(=N)N;IZTSGZALEYFTFZ-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222108;MM222108;CC(C)C(F)(F)CC(N)=O;WGKNFOZXMNOAJH-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222109;MM222109;CC(C)C(F)(F)CC(=O)O;IQNXBGWKQCXXHC-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222110;MM222110;CC(N)C(F)(F)CC(=N)N;FISOIZORTJAZNW-UHFFFAOYSA-N;151.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222111;MM222111;CC(F)C(F)(F)CC(=N)N;MFMUZPWUKARCAT-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222112;MM222112;CC(=N)NC(C)(C)C(C)C;WSUZTRFZJRGWLH-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222113;MM222113;C#CC12CC1N(O)C=N2;CTSCLOTYFAZGBR-UHFFFAOYSA-N;122.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222114;MM222114;CC(C)C(C)(C)NC(=N)N;BKMAGINGPUBIIH-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222115;MM222115;CC(C)C(C)(C)NC(N)=O;MRWHUNCOQKBNKR-UHFFFAOYSA-N;144.22;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222116;MM222116;CC(=N)NC(C)(C)C(C)N;NHMWMCUUAHYTKX-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222117;MM222117;CC(N)C(C)(C)NC(=N)N;WUWLQHNTINEBIF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222118;MM222118;CC(N)C(C)(C)NC(N)=O;ROFCBWWXQAUVIC-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222119;MM222119;CC(=N)NC(C)(C)C(C)F;BKZIDYVDWPKQDC-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222120;MM222120;CC(=O)NC(C)(C)C(C)F;RXEPCEXDZLWKPQ-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222121;MM222121;CC(F)C(C)(C)NC(=N)N;ZCRAIFTYXGXMDP-UHFFFAOYSA-N;147.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222122;MM222122;CC(F)C(C)(C)NC(N)=O;NZGHTICNIMUROX-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222123;MM222123;C=C(C)OC(C)(C)C(C)C;SNTLUVIPKWDEGL-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222124;MM222124;CC(=O)OC(C)(C)C(C)C;IGVVTPBKMZGROD-UHFFFAOYSA-N;144.21;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222125;MM222125;CC(C)C(C)(C)OC(=N)N;SEMHJUFKNQDVFJ-UHFFFAOYSA-N;144.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222126;MM222126;CC(N)C(C)(C)OC(N)=O;LUKMJTYYVSDFLZ-UHFFFAOYSA-N;146.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222127;MM222127;CC(O)C(C)(C)OC(N)=O;QTKXWKSNBRNQIJ-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222128;MM222128;CC(F)C(C)(C)OC(=N)N;RESHHGSEADSNDV-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222129;MM222129;CC(F)C(C)(C)OC(N)=O;ZDOMEYZTKPANFG-UHFFFAOYSA-N;149.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222130;MM222130;CC(C)(OC(=N)N)C(F)F;FKUSHGAITGKMNK-UHFFFAOYSA-N;152.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222131;MM222131;CC(C)(OC(N)=O)C(F)F;RRFQGYVANTZXBG-UHFFFAOYSA-N;153.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222132;MM222132;C=C(C)CC(C)(C)N(C)C;KBEZDEDZUGBZPF-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222133;MM222133;CN(C)C(C)(C)CC(=N)N;ZNHPSDMNCQKYPI-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222134;MM222134;C=C(C)C(C)(C)CC(C)C;TZTPKPVHHJUTGE-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222135;MM222135;C=C(C)C(C)(C)CC(C)N;XZPYJQOBGQIJRJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222136;MM222136;CC1(O)CNC(C)(C#N)C1;ATKDYGPSRWTYQU-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222137;MM222137;C=C(C)C(C)(C)CC(C)F;DPUNZJJCAKSSOS-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222138;MM222138;C=C(C)C(C)(C)CC(F)F;CKEHUEZCUICTEZ-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222139;MM222139;CC(=O)C(C)(C)CC(C)C;JULOHJDJZALMKN-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222140;MM222140;CC(=O)C(C)(C)CC(C)O;BEJWMUTUTLEVMI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222141;MM222141;CC(=O)C(C)(C)CC(C)F;HISUBGAHRXYNIT-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222142;MM222142;CC(=O)C(C)(C)CC(F)F;UYRMOJPNOUOWAB-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222143;MM222143;CC(C)CC(C)(C)C(=N)N;FNGZATFCTKAVFJ-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222144;MM222144;CC(F)CC(C)(C)C(=N)N;MBTMXRFARIFJFL-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222145;MM222145;CC(C)(CC(F)F)C(=N)N;AEOVNHQZOLBZCP-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222146;MM222146;CC(O)C=NN=CN(C)N;CWXBXIXKYBJRGF-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222147;MM222147;CN(C)C(C)(CO)C(F)F;WAEGUXGYNKXBGP-UHFFFAOYSA-N;153.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222148;MM222148;CC(C)(CC(F)F)C(N)=O;LXMGWNFRQMANCS-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222149;MM222149;CC(C)CC(C)(C)C(=O)O;NHBUGGCJRMEOCC-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222150;MM222150;O=C1N=CC(=CO)N1;XRHWNZOMHWLAEP-UHFFFAOYSA-N;112.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222151;MM222151;CC(F)CC(C)(C)C(=O)O;DTIQAWZMVLWHPY-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222152;MM222152;CC(C)(CC(F)F)C(=O)O;CXEPIJBZFSIYOY-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222153;MM222153;C=C(F)C(C)(C)CC(C)N;WCQJXTLHIDZAAF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222154;MM222154;C=C(F)C(C)(C)CC(C)O;NXEVZOONJHEVDZ-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222155;MM222155;C=C(F)C(C)(C)CC(F)F;SVUCGEFWODYKGA-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222156;MM222156;C=C(C)C(C)(N)CC(C)O;NCCDVPRODWRJDM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222157;MM222157;C=C(C)C(C)(N)CC(C)F;IRKONSYQNAHTAH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222158;MM222158;C=C(C)C(C)(N)CC(F)F;GGMIOLOVJFULPQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222159;MM222159;C=C(F)C(C)(N)CC(C)F;JILCRTWSMDDHFH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222160;MM222160;C=C(C)C(C)(O)CC(C)N;GJZALSPKBRXMAD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222161;MM222161;C=C(C)C(C)(O)CC(C)O;JIEUPNNGBYJMBD-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222162;MM222162;C=C(C)C(C)(O)CC(C)F;GPXSWFMCFUGFNW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222163;MM222163;C=C(C)C(C)(O)CC(F)F;PEPYOBLTSIBOIP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222164;MM222164;CC(F)CC(C)(O)C(=N)N;PVRXDASLYUNCCQ-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222165;MM222165;CC(O)(CC(F)F)C(=N)N;LGFFFUJXOSVTOU-UHFFFAOYSA-N;152.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222166;MM222166;NN=c1nnn(N)c(=O)[nH]1;VKDOZPOHYMEKHB-UHFFFAOYSA-N;143.11;-3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-10.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222167;MM222167;C=C(F)C(C)(O)CC(C)O;JBTTWIYQZUBVRK-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222168;MM222168;C=C(C)C(C)(F)CC(C)N;HGPRGOCRIPLMCL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222169;MM222169;C=C(C)C(C)(F)CC(C)O;CHFWOARQOAPNIE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222170;MM222170;C=C(C)C(C)(F)CC(C)F;ATAHWAVSZMCDFX-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222171;MM222171;C=C(C)C(C)(F)CC(F)F;CKNDOWZXPBRUGI-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222172;MM222172;CC(=O)C(C)(F)CC(C)C;OPQACFJQUZKKML-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222173;MM222173;CC(=O)C(C)(F)CC(C)F;FSFFXBORKTXQPZ-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222174;MM222174;CC(=O)C(C)(F)CC(F)F;HDMBTVVTPFKRQA-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222175;MM222175;CC(C)CC(C)(F)C(N)=O;FHZHGWFJQRXZTQ-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222176;MM222176;CC(F)CC(C)(F)C(N)=O;ROCNDJOMPTVUQI-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222177;MM222177;CC(C)CC(C)(F)C(=O)O;JVVKJQGCFOTKAR-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222178;MM222178;CC(F)CC(C)(F)C(=O)O;IQTIJUUHCXUXBV-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222179;MM222179;CC(F)(CC(F)F)C(=O)O;ZZTLDLRXVAXLGC-UHFFFAOYSA-N;156.1;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222180;MM222180;C=C(F)C(C)(F)CC(C)N;VBUWLUQSXITBCC-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222181;MM222181;C=C(F)C(C)(F)CC(C)O;FMQBOQDSTXBDCK-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222182;MM222182;C=C(C)C(F)(F)CC(C)N;BRWIWBDHFYUGTC-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222183;MM222183;C=C(C)C(F)(F)CC(C)O;VYHBOMNXSSLQDY-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222184;MM222184;C=C(C)C(F)(F)CC(C)F;ACEZMIGHFGNPDA-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222185;MM222185;C=C(C)C(F)(F)CC(F)F;RMJQSTONNGORCY-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222186;MM222186;CC(=O)C(F)(F)CC(C)C;YOKFYVBLUVTLQL-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222187;MM222187;CC(=O)C(F)(F)CC(C)F;LTEGFEMPWUGSOM-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222188;MM222188;CC(=O)C(F)(F)CC(F)F;FXCAMTYNHMAZBB-UHFFFAOYSA-N;158.09;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222189;MM222189;N=C(N)C(F)(F)CC(F)F;CSFGXIVCGKTQMG-UHFFFAOYSA-N;158.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222190;MM222190;CC(C)CC(F)(F)C(N)=O;LDMIKYJRTZDIND-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222191;MM222191;NC(=O)C(F)(F)CC(F)F;RGOOCDONZRKICH-UHFFFAOYSA-N;159.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222192;MM222192;CC(C)CC(F)(F)C(=O)O;QWJGDXWOLLTYQM-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222193;MM222193;CC(O)C(F)(C=O)C=NO;UQWMRMDVBYRBFW-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222194;MM222194;C=C(C)C(C)(C)NC(C)C;IZPUGNHEFJRCNJ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222195;MM222195;CC(=O)C(C)(C)NC(C)C;BGNFOZIPTOOXGD-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222196;MM222196;CC(=O)C(C)(C)OC(C)C;MWCBGYPVXXSGDM-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222197;MM222197;ON=c1nc(O)n(O)n1O;SCZTUZASIUMDRZ-UHFFFAOYSA-N;148.08;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222198;MM222198;C=C(C)C(C)(C)CN(C)C;XCVJOHDTBFPYHC-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222199;MM222199;C=C(F)C(C)(C)CN(C)C;QKUMAAIERDFNHD-UHFFFAOYSA-N;145.22;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222200;MM222200;C=C(C)C(C)(N)CN(C)C;WHDVJOIZJZVBMK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222201;MM222201;CN(C)CC(C)(N)C(N)=O;UYNHTFQAWGOYDY-UHFFFAOYSA-N;145.21;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222202;MM222202;C=C(C)C(C)(O)CN(C)C;XCHJIDNHFYCNDL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222203;MM222203;CN(C)CC(C)(O)C(=N)N;DJXIMNFICDDKQB-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222204;MM222204;CN=c1nc(O)n(O)o1;DNYPSQNXMBTKDZ-UHFFFAOYSA-N;131.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222205;MM222205;C=C(C)CC(C)(C)C(=C)C;UOAOSUZEFVGAFO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222206;MM222206;C=C(C)C(C)(C)CC(C)=O;WKJQJHSXRRPLJS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222207;MM222207;C=C(C)C(C)(C)CC(=N)N;HLARQAHCIUUFNV-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222208;MM222208;CC(O)C=NN(C)CCO;AUWIVCUOGYUKKA-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222209;MM222209;C=C(C)C(C)(C)CC(=O)O;UQCUZNBPEBMNMC-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222210;MM222210;C=C(C)CC(C)(C)C(C)=O;UNIXJFUNANRDBQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222211;MM222211;CC(=O)CC(C)(C)C(C)=O;CRVBWHZZWOZRCY-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222212;MM222212;CC(C)N(O)C=NN(C)C;DSLPAHCMWRVFKN-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222213;MM222213;C=C(F)CC(C)(C)C(C)=O;KHLBVIXPRXPBEG-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222214;MM222214;C=C(C)CC(C)(C)C(=N)N;CVXYDTAHILIEHE-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222215;MM222215;CC(=O)CC(C)(C)C(=N)N;XWUUEADIXMUCNK-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222216;MM222216;CC(C)C=NOC(C)CO;VHYWXXWMWXFKSF-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222217;MM222217;C=C(F)CN(O)C(C)=NN;HIRGQOVRNHTCEG-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222218;MM222218;CC(C)(CC(=N)N)C(N)=O;GOFHRMFWURVZNF-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222219;MM222219;ONc1cc(O)n(O)n1;MZACZLZBCRSKBC-UHFFFAOYSA-N;131.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222220;MM222220;C#CC1(C)CN(O)C(C)=N1;BMRNREZVXNELOA-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222221;MM222221;C=C(C)CC(C)(C)C(=O)O;XFVFEDRZGWLRRP-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222222;MM222222;C=NOC(=NO)C(C)(C)F;RPORDAZTXVHGRU-UHFFFAOYSA-N;148.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222223;MM222223;CC1CN1C=CC(=O)O;OOUYPECFZWRNHW-UHFFFAOYSA-N;127.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222224;MM222224;C=C(F)CC(C)(C)C(=O)O;GUBQOKLIFVCMRE-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222225;MM222225;C=C(F)C(C)(C)CC(C)=O;CLNANKAOLHDVNP-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222226;MM222226;C=C(F)C(C)(C)CC(=N)N;RZLDSQUXNWHLCO-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222227;MM222227;C=NNC=NN=CC(C)O;LTFQFDBSWBQWKA-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222228;MM222228;C=C(F)C(C)(C)CC(=O)O;ISOGXAYTXZTTHB-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222229;MM222229;C=C(C)CC(C)(N)C(=C)C;UIQPOMRUGUJWNY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222230;MM222230;C=C(C)C(C)(N)CC(=N)N;VBSIFVLWPANQCX-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222231;MM222231;C=C(F)CC(C)(N)C(=C)C;MVJOHAVYPRZGCN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222232;MM222232;C=C(F)C(C)(N)CC(=N)N;ZHQHMMGEOGEDSF-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222233;MM222233;C=CCN(O)C(C)=NN=C;IHBVJINUOIXYPD-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222234;MM222234;C=C(C)C(C)(O)CC(C)=O;IFWDJNXXSYWKFT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222235;MM222235;CNN=C(C)CCC(=O)O;HRGZPPRHIAOYPC-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222236;MM222236;C=C(F)CC(C)(O)C(=C)C;LKSNQFBBJYRPFR-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222237;MM222237;C=C(C)CC(C)(O)C(C)=O;ZLDXNHQCXVQABJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222238;MM222238;CCC(=O)CC(=O)C#N;XEFPRBUKNIIZOX-UHFFFAOYSA-N;125.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222239;MM222239;C=C(F)CC(C)(O)C(C)=O;AXQKMHBGWHMHBT-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222240;MM222240;C=C(F)CC(C)(O)C(=N)N;PJSSETHIZZANTI-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222241;MM222241;CC(=O)CC(C)(O)C(N)=O;GMYANGCAZAYHBU-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222242;MM222242;Oc1c(O)c(F)n(O)c1F;QIDNNBKRAAYNJV-UHFFFAOYSA-N;151.07;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222243;MM222243;C=C(F)CC(C)(O)C(N)=O;LANGXKUTBQNPLQ-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222244;MM222244;C=C(F)C(C)(O)CC(=N)N;IYYKHQKWHWEMKB-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222245;MM222245;C=C(F)C(C)(O)CC(N)=O;TYOZUYCDLGDRCS-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222246;MM222246;C=C(C)C(C)(F)CC(C)=O;PIRXMAZXABZKKB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222247;MM222247;C=C(C)C(C)(F)CC(N)=O;OYLAWDHPEIKCDW-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222248;MM222248;C=C(C)C(C)(F)CC(=O)O;FSNQIGZTNLNEEH-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222249;MM222249;C=C(F)CC(C)(F)C(=C)C;KTWUEQCTDYALGU-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222250;MM222250;C=C(C)CC(C)(F)C(C)=O;GJJFFMSGUFDJSI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222251;MM222251;Cc1nc(=O)n(C)nc1O;MZKOQVZUARCCIU-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222252;MM222252;C=C(F)CC(C)(F)C(C)=O;IDGVMRZUUXKKBE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222253;MM222253;C=C(C)CC(C)(F)C(N)=O;HRNUDAAYXUVWFJ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222254;MM222254;C=C(C)CC(C)(F)C(=O)O;RCBACCHPZYCJML-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222255;MM222255;C=C(F)CC(C)(F)C(=O)O;GXFPNSSYSBFLCN-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222256;MM222256;C=C(F)C(C)(F)CC(=N)N;OIGNDYKOCGVIMO-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222257;MM222257;C=C(F)C(C)(F)CC(=O)O;OVZAYSUPSXQGCI-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222258;MM222258;C=C(C)CC(F)(F)C(=C)C;LWFPSJQXFIWUSS-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222259;MM222259;C=C(C)C(F)(F)CC(=N)N;PPJDRXDVYZJQKN-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222260;MM222260;C=C(C)C(F)(F)CC(N)=O;HSYJUUJYUZLMTC-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222261;MM222261;C=C(C)C(F)(F)CC(=O)O;CNSXEYJQXWNFNN-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222262;MM222262;C=C(C)CC(F)(F)C(C)=O;KZFKFFDQOOHGKK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222263;MM222263;CC(=O)C(F)(F)CC(N)=O;NRHVNIGDLGONIV-UHFFFAOYSA-N;151.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222264;MM222264;C=C(F)CC(F)(F)C(C)=O;STJRNHHNGRQDLP-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222265;MM222265;N=C(N)CC(F)(F)C(=N)N;RIFZJLUXOOVJAA-UHFFFAOYSA-N;150.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222266;MM222266;CC(C)C(O)CNCC#N;BRIJYZOFHLJJQY-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222267;MM222267;CC(=O)CC(F)(F)C(N)=O;AMBGZLCTTXALCD-UHFFFAOYSA-N;151.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222268;MM222268;N=C(N)CC(F)(F)C(N)=O;NABSIKUTHPPMJU-UHFFFAOYSA-N;151.12;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222269;MM222269;NC(=O)CC(F)(F)C(N)=O;GEDNAAAWNJOFDC-UHFFFAOYSA-N;152.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222270;MM222270;C=C(C)C(C)(C)NC(C)=N;LIPJOVIGNURYBA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222271;MM222271;CC(O)C(C)NN=CCO;HXTQNPWBEVOFIE-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222272;MM222272;CC(=O)NC(C)(C)C(N)=O;MGBJNWLJZKYFRG-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222273;MM222273;N#CCOC(C#N)=NO;DGDSTMPDKQHEQC-UHFFFAOYSA-N;125.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222274;MM222274;COc1nc(F)c(O)o1;DIBACYNDBRYKAO-UHFFFAOYSA-N;133.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222275;MM222275;C=C(F)C(C)(C)NC(C)=N;MQOGSGYGDYNRHA-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222276;MM222276;C=C(F)C(C)(C)NC(C)=O;JLELWDYPKNSPBX-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222277;MM222277;C=C(F)C(C)(C)NC(N)=O;SDJXNMMCJIQLCP-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222278;MM222278;C=C(C)C(C)(C)OC(=N)N;NNAPRAPFLBHVSP-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222279;MM222279;C=C(C)C(C)(C)OC(N)=O;ZUIIVQOZZXKUID-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222280;MM222280;C=C(C)OC(C)(C)C(C)=O;JAGZUYUMQDPTIB-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222281;MM222281;CC(=O)OC(C)(C)C(C)=O;GLJOZIJFBJYYHE-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222282;MM222282;C=C(C)OC(C)(C)C(=N)N;GBGGDIHFHGCQPP-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222283;MM222283;CC(C)(OC(N)=O)C(=N)N;SVRZCLOCCDLHQQ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222284;MM222284;CC(=O)OC(C)(C)C(N)=O;KBZNRURLWCCFDW-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222285;MM222285;CC(C)(OC(N)=O)C(N)=O;ANIPEVFMHFPQJQ-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222286;MM222286;CC(C)(OC(N)=O)C(=O)O;ZZJAJGWXQSQJCC-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222287;MM222287;C=C(F)C(C)(C)OC(N)=O;RWUYMADCBCYDAW-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222288;MM222288;CC(C)=CC(C)(C)C(C)C;PWLULBISPZYCNX-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222289;MM222289;CC(C)C(C)(C)C=C(F)F;DPAVBTQAZAULIT-UHFFFAOYSA-N;148.2;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222290;MM222290;CC(C)=CC(C)(C)C(C)N;GFLSKYZNJBMMQJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222291;MM222291;CC(F)=CC(C)(C)C(C)N;GLOXMDODESRCRR-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222292;MM222292;CC(O)C(C)(C)C=C(F)F;HONHZRUPOCQGEO-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222293;MM222293;CC(C)=CC(C)(N)C(C)C;YPDNIIWSAWJNBL-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222294;MM222294;CC(F)=CC(C)(N)C(C)C;JBPXZLUXTZVTHP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222295;MM222295;CC(C)C(C)(N)C=C(F)F;YIOSLHCVAHDLMY-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222296;MM222296;CC(O)C(C)(N)C=C(F)F;NBIGDLHACDYUDO-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222297;MM222297;CC(C)=CC(C)(N)C(C)F;BZVOTJYUICRPJE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222298;MM222298;CC(F)C(C)(N)C=C(F)F;SWZNHHQIEGDLBV-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222299;MM222299;N#CC=CNC(=N)C(N)=O;RAPLHJKZBOPRCQ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222300;MM222300;CC(C)C(C)(O)C=C(F)F;XHMITMPIKHTQAQ-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222301;MM222301;CC(C)=CC(C)(O)C(C)N;UTXODEZJLHJRFV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222302;MM222302;CC(N)C(C)(O)C=C(F)F;YBYFTTMTWOLQIV-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222303;MM222303;CC(C)=CC(C)(O)C(C)O;GTGPVGVLUZYFHX-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222304;MM222304;CC(F)=CC(C)(O)C(C)F;UARSBAOUFINISG-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222305;MM222305;CC(F)C(C)(O)C=C(F)F;QZNTYVZETGFQSV-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222306;MM222306;CC(N)C(C)(F)C=C(F)F;HVNAJUVLXOJSTL-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222307;MM222307;CC(F)C(C)(F)C=C(F)F;HPLRKTNEAXSZAK-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222308;MM222308;CC(C)C(F)(F)C=C(F)F;QJYAJQCSYQCNCK-UHFFFAOYSA-N;156.12;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222309;MM222309;CC(C)=CC(C)(C)N(C)C;CAQOHNZCEGFZIC-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222310;MM222310;C=C(C)C(C)(C)C=C(C)C;SFKKOOUFQOHZID-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222311;MM222311;C=C(C)C(C)(C)C=C(C)F;JFKZDTMMGLYPTM-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222312;MM222312;C=C(C)C(C)(C)C=C(F)F;PNZHNVRFRZNCMP-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222313;MM222313;CC(=O)C(C)(C)C=C(C)C;QIBKFSMCEDOQEO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222314;MM222314;CC(=O)C(C)(C)C=C(C)F;HHIHJEHDQIMHBC-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222315;MM222315;CC(=O)C(C)(C)C=C(F)F;KUTZLZHZAFBEOQ-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222316;MM222316;CC(C)=CC(C)(C)C(=N)N;GPEFUUGAYFOOEK-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222317;MM222317;CC(F)=CC(C)(C)C(=N)N;WKNUDQCGJCFCIM-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222318;MM222318;CC(C)(C=C(F)F)C(=N)N;GUEAJMWIZWRHFZ-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222319;MM222319;CC(O)C(C=NN)=C(F)F;UCANZCVVXPVVEC-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222320;MM222320;CC(F)=CC(C)(C)C(N)=O;PELMHNIIBLEQOA-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222321;MM222321;CC(C)(C=C(F)F)C(N)=O;OREGPYWASABQHT-UHFFFAOYSA-N;149.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222322;MM222322;CC(C)=CC(C)(C)C(=O)O;ZPVVBHATTCHYRC-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222323;MM222323;CC(F)=CC(C)(C)C(=O)O;IAGXTQUPMGVCRE-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222324;MM222324;C=C(C)C(C)(N)C=C(C)C;DQMJZGZUZBLGFB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222325;MM222325;C=C(C)C(C)(N)C=C(F)F;KFGWVGGRPQEXDK-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222326;MM222326;C=C(C)C(C)(O)C=C(F)F;BJJDRFJRCHTMGF-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222327;MM222327;CC(=O)C(C)(O)C=C(C)F;OEYSWVODYWMBIG-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222328;MM222328;CC(F)=CC(C)(O)C(=N)N;CMJMHKPOEMLAAQ-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222329;MM222329;CC(F)=CC(C)(O)C(N)=O;AFMDBNABSKIQJG-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222330;MM222330;C=C(C)C(C)(F)C=C(F)F;NNSSYBTYLFBDOK-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222331;MM222331;CC(=O)C(C)(F)C=C(C)C;CFLAFPIPQQECRP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222332;MM222332;CC(=O)C(C)(F)C=C(C)F;AOKKAHIRTLZTAB-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222333;MM222333;CC(=O)C(C)(F)C=C(F)F;DNXFGQARJDHQHL-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222334;MM222334;CC(F)=CC(C)(F)C(N)=O;MCQPKZIMKQIIMV-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222335;MM222335;C=C(C)C(F)(F)C=C(F)F;YSKTVRYRGAPKSC-UHFFFAOYSA-N;154.11;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222336;MM222336;CC(=O)C(F)(F)C=C(C)C;XSAKHOPAZAHUBV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222337;MM222337;CC(C)(N)C(C)(C)CCN;PNDMRFPOLBDAJX-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222338;MM222338;CC(C)(N)C(C)(C)CCO;VRKWXPBGCVGLAY-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222339;MM222339;CC(C)(N)C(C)(C)CCF;IHEAWHZDPFCQFL-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222340;MM222340;CC(C)(O)C(C)(C)CCN;QWSJLMMGZIQVOB-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222341;MM222341;CC(C)(O)C(C)(C)CCO;XSVKRMZQGLKDGT-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222342;MM222342;CC(C)(O)C(C)(C)CCF;JUXZARRITVEXEE-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222343;MM222343;CC(F)(F)C(C)(C)CCN;UJJASGZAZHANSV-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222344;MM222344;CCCC(C)(C)C(F)(F)F;PYFWRONXIWBVIR-UHFFFAOYSA-N;154.18;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222345;MM222345;CC(C)(CCN)C(F)(F)F;SSRSFLXNEFVWSJ-UHFFFAOYSA-N;155.16;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222346;MM222346;CCCC(C)(N)C(C)(C)N;VPGBTGIQJULNLV-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222347;MM222347;CCCC(C)(N)C(C)(C)O;MTLZELICTDDCAZ-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222348;MM222348;CC(C)(F)C(C)(N)CCF;ZUHYPFDADHVXBQ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222349;MM222349;CC(N)(CCF)C(F)(F)F;BKDMFARAKHSBQC-UHFFFAOYSA-N;159.13;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222350;MM222350;CCCC(C)(O)C(C)(C)N;GNFKMOYOJVRXBC-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222351;MM222351;CCCC(C)(O)C(C)(C)O;GWHMYERLYIUVIW-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222352;MM222352;CC(F)(F)C(C)(O)CCN;RVUOWXJFFKYCFQ-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222353;MM222353;CC(F)(F)C(C)(O)CCO;FLHAKTHEOUNETR-UHFFFAOYSA-N;154.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222354;MM222354;CC(F)(F)C(C)(O)CCF;ZAKXUURMXWWHGR-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222355;MM222355;CC(O)(CCN)C(F)(F)F;PDNLXDMMMJEFKE-UHFFFAOYSA-N;157.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222356;MM222356;CCCC(C)(F)C(C)(C)N;BPAPFPQGGBPJGX-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222357;MM222357;CC(C)(N)C(C)(F)CCN;VJEOJURDFMBWQP-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222358;MM222358;CC(C)(N)C(C)(F)CCF;OKHVFNLOFAKUNX-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222359;MM222359;CCCC(C)(F)C(C)(C)O;JKCGMNHZMWLOEJ-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222360;MM222360;CC(C)(O)C(C)(F)CCF;BJVLKFDFSRWWGR-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222361;MM222361;CC(C)(F)C(C)(F)CCN;NLUQPNBYZJGADS-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222362;MM222362;CC(F)(F)C(C)(F)CCN;GNOCTDLQXMYJTC-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222363;MM222363;CC(F)(F)C(C)(F)CCO;ZNZXAQFFZKBRBT-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222364;MM222364;CC(F)(CCN)C(F)(F)F;WVWYMHMNFQYAPI-UHFFFAOYSA-N;159.13;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222365;MM222365;CC(F)(CCF)C(F)(F)F;IBDIJPZGIKNYQP-UHFFFAOYSA-N;162.1;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222366;MM222366;CC(C)(C)C(F)(F)CCN;WNSXWKGTSKOBMQ-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222367;MM222367;CC(C)(C)C(F)(F)CCF;NJGKOCGHILHOPF-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222368;MM222368;CCCC(F)(F)C(C)(C)O;HHNRLYDRLWYBPX-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222369;MM222369;CC(C)(O)C(F)(F)CCN;RJTJPEMRHAONJH-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222370;MM222370;CC(C)(O)C(F)(F)CCF;YVEXZADRLXIQFY-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222371;MM222371;CC(C)(F)C(F)(F)CCN;MJSGNKVJPODTLM-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222372;MM222372;CCCC(F)(F)C(C)(F)F;YBXJCWJUTKYBIF-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222373;MM222373;CNCC(C)(C)C(C)(C)C;OFNWYWCPSLIBIH-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222374;MM222374;CNCC(C)(C)C(C)(C)N;ZBBFKOJZPIWXAH-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222375;MM222375;CNCC(C)(C)C(C)(C)O;HATCZLFOGCYKLP-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222376;MM222376;CNCC(C)(C)C(C)(F)F;YVPLHIRLWKLJHL-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222377;MM222377;CNCC(C)(C)C(F)(F)F;APMUPLSNJSLSGR-UHFFFAOYSA-N;155.16;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222378;MM222378;CNCC(C)(O)C(C)(F)F;VGVKWAJOIVFZHG-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222379;MM222379;CNCC(C)(F)C(C)(C)F;FBNMMKDKWJHPLP-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222380;MM222380;CNCC(C)(F)C(C)(F)F;RJGAIDSKBGQKJA-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222381;MM222381;COCC(C)(N)C(C)(C)O;IJYXNPCVOGGGEB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222382;MM222382;COCC(C)(N)C(C)(C)F;PDZUTRSAAUSZHF-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222383;MM222383;COCC(C)(N)C(F)(F)F;QXPPNVUUCDLFIE-UHFFFAOYSA-N;157.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222384;MM222384;COCC(C)(O)C(C)(F)F;SQNOHUIRQGWNEU-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222385;MM222385;COCC(C)(O)C(F)(F)F;NGQTWZJGHHRILI-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222386;MM222386;COCC(C)(F)C(C)(C)N;FIIBYDGFOFUJRJ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222387;MM222387;COCC(C)(F)C(C)(C)O;KPSANCYTBPTNTE-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222388;MM222388;CCNC(C)(C)C(C)(C)C;IHMIAJWIZXWVIN-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222389;MM222389;CCNC(C)(C)C(C)(C)N;SQAZPXUSJVFYRJ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222390;MM222390;CCNC(C)(C)C(C)(C)O;BVAKTBBIYMHVOQ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222391;MM222391;CCOC(C)(C)C(C)(C)C;OMJLNQRUFYGZAE-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222392;MM222392;CCOC(C)(C)C(C)(C)N;UKULBOIWSUDJOR-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222393;MM222393;CCOC(C)(C)C(C)(C)O;MAJXMQPCELMASX-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222394;MM222394;CCOC(C)(C)C(C)(C)F;CUYNZFLFYUSSFW-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222395;MM222395;CC(C)(O)C(C)(C)CC=O;KCTUMXNAOLATKA-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222396;MM222396;CC(C)(CC=O)C(F)(F)F;FMTVAYVETMIKHT-UHFFFAOYSA-N;154.13;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222397;MM222397;C=CCC(C)(N)C(C)(C)O;QEPZVHXTROFFHH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222398;MM222398;C=CCC(C)(O)C(C)(C)O;SNJAKWDPQBWXFM-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222399;MM222399;C=CCC(C)(F)C(C)(C)N;BOAMARVOJNUKCV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222400;MM222400;C=CCC(C)(F)C(C)(C)O;LTEZVFDIGKIISM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222401;MM222401;CC(C)(O)C(C)(F)CC=O;USXPTDLWVCQWKL-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222402;MM222402;CC(F)(CC=O)C(F)(F)F;HHIUQMGOTAUYTE-UHFFFAOYSA-N;158.09;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222403;MM222403;CC(C)(C)C(F)(F)CC=O;XZHJLOVPLVWKFC-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222404;MM222404;C=CCC(F)(F)C(C)(C)O;SMAHWORYQUJAHH-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222405;MM222405;CC(C)(C)C(C)(C)NC=N;JUBXTMQMJIAZPR-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222406;MM222406;C=CC(C#N)(NC)C(N)=O;UZUMDXVQCYAXEH-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222407;MM222407;CC(C)(N)C(C)(C)NC=O;WJTKFUDTMLNNOD-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222408;MM222408;CC(C)(O)C(C)(C)NC=O;YROWBQUGZFXBSC-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222409;MM222409;CC(C)(F)C(C)(C)NC=N;BMSCZEQONHJKSC-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222410;MM222410;CC1(O)CCN(C=O)NC1;RHTLWHUSGRMVHR-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222411;MM222411;CC(F)(F)C(C)(C)NC=O;SATMRZQSJYMXBU-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222412;MM222412;C=NNC(C)(C)C(C)(C)C;AXSJYQLZDJHYQW-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222413;MM222413;C=NNC(C)(C)C(C)(C)N;PZJOXOQKFMEBDT-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222414;MM222414;CC(CO)ON=C(N)C=O;NYZHSWICXKFRRA-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222415;MM222415;C=NNC(C)(C)C(C)(C)F;HHOZHROAUKLINV-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222416;MM222416;CC(=NOC(C)CO)NN;GWQDDJWHJANZTI-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222417;MM222417;C=COC(C)(C)C(C)(C)C;IBUVMFOLWHCIPN-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222418;MM222418;CC(C)(C)C(C)(C)OC=O;CTGDSLNKDNHFQU-UHFFFAOYSA-N;144.21;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222419;MM222419;C=COC(C)(C)C(C)(C)N;FLLJEIREJATPBK-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222420;MM222420;CC(C)(N)C(C)(C)OC=O;LNVSBPJKHJTHOY-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222421;MM222421;C=COC(C)(C)C(C)(C)O;FOCCUJNOZBLDOV-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222422;MM222422;CC(C)(O)C(C)(C)OC=O;OBODCWUESPNUOV-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222423;MM222423;CC(C)(F)C(C)(C)OC=O;YUMMDENVEQHZAE-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222424;MM222424;CC(F)(F)C(C)(C)OC=O;XTSYISSGKNFKKJ-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222425;MM222425;CC(C)(OC=O)C(F)(F)F;DEMDWXJIAPKEQC-UHFFFAOYSA-N;156.1;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222426;MM222426;C=NOC(C)(C)C(C)(C)C;RSJGECHOGDHVBA-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222427;MM222427;C=NOC(C)(C)C(C)(C)N;MUCFOSMSJCUKTA-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222428;MM222428;C=CN(O)C=NC(C)C=O;GKOSKDWGCSDPSE-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222429;MM222429;C=NOC(C)(C)C(C)(C)F;PUWSKWSKBIKWOS-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222430;MM222430;C#CCC(C)(N)C(C)(C)N;WLNFGVRGTXHZTL-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222431;MM222431;C#CCC(C)(F)C(C)(C)O;BTWPZMSFGATISF-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222432;MM222432;CC=CC(C)(C)C(C)(C)C;WFBIQNOXBMBFHG-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222433;MM222433;CC(C)(C)C(C)(C)C=CF;LSSLDWRRYLZIBZ-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222434;MM222434;CC=CC(C)(C)C(C)(C)N;AWABYDQZEZJXES-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222435;MM222435;CC(C)(N)C(C)(C)C=CF;UIOBWGPDGRIXTB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222436;MM222436;C#CC(C)N=CN(O)C=C;AULYUYPXMOZUMH-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222437;MM222437;CC(C)(O)C(C)(C)C=CF;QITJXBWCUUCTQD-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222438;MM222438;CC=CC(C)(C)C(C)(C)F;OGOYQWVRFQWRDG-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222439;MM222439;CC(C)(F)C(C)(C)C=CF;LFGVPGRLHYEIDE-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222440;MM222440;CC(F)(F)C(C)(C)C=CF;TVSLROWZGIXZAG-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222441;MM222441;CC=CC(C)(C)C(F)(F)F;BZUGSNSLPUSOKY-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222442;MM222442;CC(C)(N)C(C)(N)C=CF;OXGOWJKCLAODIO-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222443;MM222443;CC(C)(O)C(C)(O)C=CF;JALMCGQFCNHJJG-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222444;MM222444;CC=CC(C)(F)C(C)(C)N;PHAOSRPHADCCKM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222445;MM222445;CC(C)(N)C(C)(F)C=CF;CPYKDQPBFCQJGJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222446;MM222446;CC=CC(C)(F)C(C)(C)O;IPASPGYPFFSVPW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222447;MM222447;CC(C)(O)C(C)(F)C=CF;DGJBTSTWSPCQQC-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222448;MM222448;CC(C)(C)C(C)(C)C=NN;UBHDLUTZZSQEPT-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222449;MM222449;CC(C)(C)C(C)(C)C=NO;CPOMHQZJWPTPLP-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222450;MM222450;CC(C)(N)C(C)(C)C=NO;OIGCHCZGFFPYMQ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222451;MM222451;C=CC(C)=NOC(C)CO;PJVKATPZIFPQOB-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222452;MM222452;CC(F)(F)C(C)(C)C=NO;DDYMKGIGBXUJJM-UHFFFAOYSA-N;151.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222453;MM222453;CC(C)(C=NN)C(F)(F)F;VIFYIMPIDLZFDB-UHFFFAOYSA-N;154.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222454;MM222454;CC(C)(C)C(C)(N)C=NO;AMHVUSRXHJZOAT-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222455;MM222455;CC(F)(F)C(C)(O)C=NN;QZKCMPQVCIBDHE-UHFFFAOYSA-N;152.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222456;MM222456;CC(O)(C=NN)C(F)(F)F;BQMLMPFKBYZUQP-UHFFFAOYSA-N;156.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222457;MM222457;OCCOCC(CF)=NO;GACZNGCNPWJXFK-UHFFFAOYSA-N;151.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222458;MM222458;CC#CC(C)(C)C(C)(C)C;WMAMADTUNFTKPP-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222459;MM222459;CC#CC(C)(C)C(C)(C)N;UVFMWBLOBPSHAO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222460;MM222460;CC(C=O)=NOC(C)CO;KQDHBXKZDSMILX-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222461;MM222461;CC#CC(C)(C)C(C)(C)F;CYATZWFFTAMJRJ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222462;MM222462;CC#CC(C)(C)C(C)(F)F;FODVQFXLQYGOLW-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222463;MM222463;CC#CC(C)(N)C(C)(C)C;BKPNYGBPZBHNMA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222464;MM222464;CC#CC(C)(N)C(C)(C)N;YKTKNDKCOGCOMS-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222465;MM222465;CC#CC(C)(O)C(C)(C)O;NIZZABWCVROHBM-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222466;MM222466;CC#CC(C)(F)C(C)(C)O;LEZIOMATBNMLFP-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222467;MM222467;CC(C)C(C)CC(C)(C)C;KDRZICOOQNIJDN-UHFFFAOYSA-N;142.29;3.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222468;MM222468;C#CC(C)=NOC(C)CO;QECFKEDHECOFJM-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222469;MM222469;CC(C)C(N)CC(C)(C)C;SHWBWNUYILPUSO-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222470;MM222470;CC(N)C(N)CC(C)(C)C;LDTKIDBRZKSAHQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222471;MM222471;CC(C)(CO)N1CC1CO;KWKGLTJQIWZWDO-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222472;MM222472;CC(N)C(O)CC(C)(C)C;LWUOXNGKHVXVNQ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222473;MM222473;CC(O)C(O)CC(C)(C)C;ZHADARJROWUWCU-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222474;MM222474;CC(C)C(F)CC(C)(C)C;FDDUKPJEIULORA-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222475;MM222475;CC(C)C(C)CC(C)(C)N;KIMDILAHTSEKKF-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222476;MM222476;CC(N)C(C)CC(C)(C)N;HPQKNNWENQFDLP-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222477;MM222477;CC(O)C(C)CC(C)(C)N;XXRPLQDJYPBZPP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222478;MM222478;CC(F)C(C)CC(C)(C)N;RYKNNEHREFNZTG-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222479;MM222479;CC(CC(C)(C)N)C(F)F;VLKFTBOWBBSOAE-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222480;MM222480;CC(C)C(N)CC(C)(C)N;DSZAGNLZSWXRLD-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222481;MM222481;CC(O)C(N)CC(C)(C)N;WCPYCPNVKSNRNB-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222482;MM222482;CC(C)C(O)CC(C)(C)N;CKMXWSWWBXAZHM-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222483;MM222483;CC(N)C(O)CC(C)(C)N;ZGWYSBJILWNBBP-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222484;MM222484;CC(O)C(O)CC(C)(C)N;ADUZYUGHEOEJEI-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222485;MM222485;CC(C)(N)CC(O)C(F)F;ZOVUUYOWNJPHSO-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222486;MM222486;CC(C)C(F)CC(C)(C)N;QWVOIQUYPLQNKT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222487;MM222487;CC(F)C(F)CC(C)(C)N;PNVUAODPDSVOMG-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222488;MM222488;CCN(O)C(=N)C(C)=NN;XYOQBCIXTTZTOS-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222489;MM222489;CC(N)C(C)CC(C)(C)O;NYGFMUIZYMOZML-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222490;MM222490;CC(O)C(C)CC(C)(C)O;BBOMJCSSXWZKGW-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222491;MM222491;CC(F)C(C)CC(C)(C)O;COCVENUBKZIUEI-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222492;MM222492;CC(CC(C)(C)O)C(F)F;NMYODZUDSNUISU-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222493;MM222493;CC(C)C(N)CC(C)(C)O;NWFAYTRMCCQZDZ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222494;MM222494;CC(O)C(N)CC(C)(C)O;BRWNLJJOECRBDR-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222495;MM222495;CC(C)C(O)CC(C)(C)O;JANSZBDMCKVQEK-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222496;MM222496;CC(N)C(O)CC(C)(C)O;LXPIWAVKSJEHLR-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222497;MM222497;CC(F)C(O)CC(C)(C)O;XXFRSWMVWZFXIZ-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222498;MM222498;CC(C)(O)CC(O)C(F)F;NPQWJLJBWJKDNQ-UHFFFAOYSA-N;154.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222499;MM222499;CC(C)C(F)CC(C)(C)O;UMBIKWAHQTWJOH-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222500;MM222500;CC(C)(O)CC(F)C(F)F;PICDGRADPSKXPS-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222501;MM222501;CC(C)C(C)CC(C)(C)F;BSZNMHHZRJDRCZ-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222502;MM222502;CC(N)C(C)CC(C)(C)F;GRRGLXWEPSWRTK-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222503;MM222503;CC(O)C(C)CC(C)(C)F;ZNJNKYWOUIOGSL-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222504;MM222504;CC(CC(C)(C)F)C(F)F;JBBUTERVDUAFCL-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222505;MM222505;CC(C)C(N)CC(C)(C)F;ARFHNEXFKMFRFZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222506;MM222506;CC(F)C(N)CC(C)(C)F;APYTULLCOZTETD-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222507;MM222507;CC(C)C(O)CC(C)(C)F;WGUNMMHWPUPRNA-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222508;MM222508;CC(O)C(O)CC(C)(C)F;MOBNSAJVTXUOIN-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222509;MM222509;CC(N)C(F)CC(C)(C)F;JBYJVLLUFSLLNF-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222510;MM222510;CC(F)C(F)CC(C)(C)F;NFVFEMBVZODQPS-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222511;MM222511;CC(C)(F)CC(F)C(F)F;KEQIXEXLNFZRBO-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222512;MM222512;CC(C)C(C)CC(C)(F)F;JSPHCGZLWLDJNG-UHFFFAOYSA-N;150.21;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222513;MM222513;CC(N)C(C)CC(C)(F)F;SVLKHKMYSDRGQF-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222514;MM222514;CC(CC(C)(F)F)C(F)F;XHTKZBMTHBUHIO-UHFFFAOYSA-N;158.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222515;MM222515;CC(C)C(N)CC(C)(F)F;HSYDJOUQCJNSCY-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222516;MM222516;CC(N)C(N)CC(C)(F)F;QWJBDOVASLXQNN-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222517;MM222517;CC(F)C(N)CC(C)(F)F;NESSYSYSDYYHPN-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222518;MM222518;CC(F)(F)CC(O)C(F)F;MLKHSDJVUHUAJU-UHFFFAOYSA-N;160.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222519;MM222519;CC(C)C(F)CC(C)(F)F;NBJWHPFARAOKKM-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222520;MM222520;CC(F)C(F)CC(C)(F)F;ZKVGMXNIHRKSHN-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222521;MM222521;CC(F)(F)CC(F)C(F)F;JALJWUYYPLVUPF-UHFFFAOYSA-N;162.1;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222522;MM222522;CC(C)C(C)CC(F)(F)F;AAFGVUXIDQCMKC-UHFFFAOYSA-N;154.18;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222523;MM222523;CC(C)C(N)CC(F)(F)F;IHZYNDVGXILSGV-UHFFFAOYSA-N;155.16;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222524;MM222524;CC(C)C(O)CC(F)(F)F;NXJVXGXGCZFASJ-UHFFFAOYSA-N;156.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222525;MM222525;CC(C)C(C)NC(C)(C)C;OULOXKYVGHRNCL-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222526;MM222526;CC(N)C(C)NC(C)(C)C;IJMZYZYZPCGUFL-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222527;MM222527;CC(C)C(C)OC(C)(C)C;WUGJZKCYPHCTFO-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222528;MM222528;CC(CC(C)(C)C)N(C)C;CNEAUTUWUUJFNV-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222529;MM222529;CC(CC(C)(C)N)N(C)C;NPEOWQXDLUQCLY-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222530;MM222530;CC(CC(C)(C)F)N(C)C;PRJAZZZTBNUWCY-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222531;MM222531;CC(CC(C)(F)F)N(C)C;ZZIBJTUJTNJPOU-UHFFFAOYSA-N;151.2;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222532;MM222532;CC(C)N(C)CC(C)(C)C;WLALXJXRAYVCPO-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222533;MM222533;CC(C)N(C)CC(C)(C)N;PVLWWLJXENHLON-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222534;MM222534;CC(C)N(C)CC(C)(C)O;ORAQOCXUHLAGMA-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222535;MM222535;CC(C)N(C)CC(C)(C)F;PKGSCDFKDYUKMG-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222536;MM222536;C=C(C)C(C)CC(C)(C)C;PWUKSHHRJIMYAE-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222537;MM222537;CC(=O)C(C)CC(C)(C)C;CXEONJNTVFWYGR-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222538;MM222538;CC(CC(C)(C)C)C(=N)N;GMWHCBRTAUDIJD-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222539;MM222539;C=C(C)C(N)CC(C)(C)C;XHCSILBRSRQKLP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222540;MM222540;CNC(=O)N(C)N=CCF;VYPWVHVCHABYIB-UHFFFAOYSA-N;147.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222541;MM222541;CC(=O)C(O)CC(C)(C)C;LNVJPRUOLAMAMQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222542;MM222542;CC(C)(C)CC(O)C(=N)N;LWBZLRTVERJGTG-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222543;MM222543;C=C(C)C(C)CC(C)(C)N;MYDRPEADKBSHAN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222544;MM222544;CC(CC(C)(C)N)C(N)=O;GPOXWGXSJBPODE-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222545;MM222545;C=C(F)C(C)CC(C)(C)N;VNFHGSXPCQWGIP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222546;MM222546;C=C(C)C(O)CC(C)(C)N;ZSVTUDWUNZZYAP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222547;MM222547;CC(C)(N)CC(O)C(=N)N;QCJVWAXAWONUDY-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222548;MM222548;C=C(C)C(F)CC(C)(C)N;UIAMYSRBVSGATA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222549;MM222549;CC(C)(N)CC(F)C(=N)N;AXWBJOHFNIYTQQ-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222550;MM222550;CCCC=NOC(C)CO;DYPLYADIKSNUMX-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222551;MM222551;CC(=O)C(C)CC(C)(C)O;FJARRAGWUGZCRI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222552;MM222552;C=C(F)C(C)CC(C)(C)O;MKGVBWNDCQQPET-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222553;MM222553;C=C(C)C(N)CC(C)(C)O;FXLMEQVTIDDMJI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222554;MM222554;C=C(C)C(O)CC(C)(C)O;WPLUBEMLZVHPBZ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222555;MM222555;CC(=O)C(O)CC(C)(C)O;RHPFPSWJNNLJIH-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222556;MM222556;C=C(F)C(O)CC(C)(C)O;ZZIBNEWMMNNTIN-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222557;MM222557;C=C(C)C(F)CC(C)(C)O;FVKSEZDDDHWUSO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222558;MM222558;C=C(C)C(C)CC(C)(C)F;KAPDIIMQCNJZAG-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222559;MM222559;CC(=O)C(C)CC(C)(C)F;FMVLNSQQTMBKKV-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222560;MM222560;C=CCC=NOC(C)CO;DMMBOQCSCSBSRI-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222561;MM222561;CC(CC(C)(C)F)C(=O)O;KSYOFEIZLGHPIQ-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222562;MM222562;C=C(C)C(N)CC(C)(C)F;CHNLDYAVHKIMDA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222563;MM222563;CC(C)(F)CC(N)C(=N)N;CMDJRSIMOSBKGS-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222564;MM222564;C=C(C)C(O)CC(C)(C)F;GGKHGCFHSOWLMJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222565;MM222565;CC(C)(F)CC(O)C(=N)N;ZQOSOCVWCYURSY-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222566;MM222566;O=COC(C=NO)OC=O;HALQVYURHXTXPC-UHFFFAOYSA-N;147.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222567;MM222567;CC(=O)C(F)CC(C)(C)F;WHGYXGGHLIYYBY-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222568;MM222568;CC(C)(F)CC(F)C(N)=O;OBNRYRWTCFDGJB-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222569;MM222569;CC(C)(F)CC(F)C(=O)O;KKFXQQLBFYKTPW-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222570;MM222570;C=C(C)C(C)CC(C)(F)F;QPHSAYWHEVSTOB-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222571;MM222571;CC(=O)C(C)CC(C)(F)F;UZHMLHAYLFWSEC-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222572;MM222572;CC(CC(C)(F)F)C(=N)N;CKNPFNPUAGHNLV-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222573;MM222573;CC(CC(C)(F)F)C(N)=O;BFMRLGLZBMNAIQ-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222574;MM222574;CC(CC(C)(F)F)C(=O)O;JXXNCQQYDYGIET-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222575;MM222575;C=C(C)C(N)CC(C)(F)F;FGRXZOFPVIBKJL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222576;MM222576;CC(F)(F)CC(O)C(=N)N;DKCMMGRLVYUSTC-UHFFFAOYSA-N;152.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222577;MM222577;CC(F)(F)CC(O)C(N)=O;HZJJDCOWJZPZEN-UHFFFAOYSA-N;153.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222578;MM222578;C=C(C)C(F)CC(C)(F)F;HBAZJIITTKPPKI-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222579;MM222579;CC(=O)C(F)CC(C)(F)F;AFSAXNMAEIGUQN-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222580;MM222580;CC(F)(F)CC(F)C(N)=O;HIIUSMWAOUZVMF-UHFFFAOYSA-N;155.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222581;MM222581;CC(F)(F)CC(F)C(=O)O;ITVWVGOXFTVCSH-UHFFFAOYSA-N;156.1;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222582;MM222582;C=C(C)C(C)CC(F)(F)F;QOGKMQRFXLYTKI-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222583;MM222583;CC(=O)C(C)CC(F)(F)F;ALTYLJANGUDOPJ-UHFFFAOYSA-N;154.13;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222584;MM222584;C=C(C)C(N)CC(F)(F)F;FMRLQWPKOOLRIZ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222585;MM222585;N=C(N)C(O)CC(F)(F)F;ZQVYDKASDAIMKA-UHFFFAOYSA-N;156.11;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222586;MM222586;C=C(C)C(C)NC(C)(C)C;WXFMIALONDDLIT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222587;MM222587;C=C(C)C(C)OC(C)(C)C;NHFMEEICBMPPIQ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222588;MM222588;CC(OC(C)(C)C)C(=N)N;ZNDGCKVDUPZWIV-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222589;MM222589;CC(OC(C)(C)C)C(N)=O;DHQGAHNKDBLBQK-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222590;MM222590;CC(=N)N(C)CC(C)(C)C;RNHFPWJLEXLKRX-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222591;MM222591;CC(=O)N(C)CC(C)(C)C;QQMRATZWCBMFHP-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222592;MM222592;CN(CC(C)(C)C)C(=N)N;VYVAYPBUTCQXNG-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222593;MM222593;C=CN(O)C=NCC#CC;KGQWCSOOFFLRMY-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222594;MM222594;CC(=N)N(N)CC(C)(C)C;RPLZIBUSABJHMR-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222595;MM222595;CC(=O)N(N)CC(C)(C)C;AVWNMMVXCNYVQF-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222596;MM222596;CCN(O)C(C=CN)=NN;KCEDCXZVXCFNOM-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222597;MM222597;CC(=N)N(O)CC(C)(C)C;LEGCSPNXHBPDNY-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222598;MM222598;CC(C)(C)CN(O)C(N)=O;KNIWBIAIMDPGAP-UHFFFAOYSA-N;146.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222599;MM222599;CN(CC(C)(C)N)C(=N)N;IWBOJCZYXOKCEP-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222600;MM222600;CN(CC(C)(C)N)C(N)=O;TWTROHWIEVKWLQ-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222601;MM222601;CC(C)(N)CN(O)C(=N)N;MYOLHBZGMNQZCZ-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222602;MM222602;CC(C)(N)CN(O)C(N)=O;BFQAYTFJYSXTSA-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222603;MM222603;CC(=N)N(C)CC(C)(C)O;SPYLJBCYBOVTCW-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222604;MM222604;CN(CC(C)(C)O)C(=N)N;CLRFIYWJNURVHM-UHFFFAOYSA-N;145.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222605;MM222605;CC(C)(O)CN(N)C(=N)N;LYNULFBUSWNDDK-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222606;MM222606;NC(=O)C(=CF)N(N)C=O;ACUVBOCZQOHZCP-UHFFFAOYSA-N;147.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222607;MM222607;CC(C)(O)CN(O)C(=N)N;CLNDHGRWGORAOE-UHFFFAOYSA-N;147.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222608;MM222608;CC(C)(O)CN(O)C(N)=O;YNDWXYJZJQCECK-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222609;MM222609;CC(=O)N(C)CC(C)(C)F;TXQYJKQNQQZESR-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222610;MM222610;CN(CC(C)(C)F)C(N)=O;LGQLNLDXBBWOGP-UHFFFAOYSA-N;148.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222611;MM222611;CC(=N)N(N)CC(C)(C)F;JOCGXNWHGJYVOC-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222612;MM222612;CC(=O)N(N)CC(C)(C)F;ZVTPCIFSMDPBMU-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222613;MM222613;CC(C)(F)CN(N)C(=N)N;BGTQLCRYJJFXQV-UHFFFAOYSA-N;148.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222614;MM222614;CC(F)(F)CN(N)C(=N)N;FCKYQJXGDZVNCE-UHFFFAOYSA-N;152.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222615;MM222615;CC(=N)N(C)CC(F)(F)F;XRXLWMXYFXUPTH-UHFFFAOYSA-N;154.14;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222616;MM222616;CC(=O)N(N)CC(F)(F)F;OTOFBEVNUAKNLJ-UHFFFAOYSA-N;156.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222617;MM222617;CN(OC(C)(C)C)C(=N)N;YFYHHZWIWKHEPN-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222618;MM222618;CN(OC(C)(C)C)C(N)=O;LIJHAPNQPUHLIN-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222619;MM222619;C=C(CC(C)(C)C)C(C)C;CMJXXYYDGOZXJE-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222620;MM222620;C=C(CC(C)(C)C)C(C)N;VEEGENSONMYCGP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222621;MM222621;COC(CO)COC=NN;BPUUNHBULWONND-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222622;MM222622;CC(C)C(=O)CC(C)(C)C;KJWBHOKFRSFCBZ-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222623;MM222623;CC(O)C(=O)CC(C)(C)C;YHNLDSVEGFDTGY-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222624;MM222624;C=C(CC(C)(C)N)C(C)C;JCWLYAZRHPHYLC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222625;MM222625;C=C(CC(C)(C)N)C(C)N;JHFRRGHZODDWKM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222626;MM222626;C=C(CC(C)(C)N)C(C)O;SGIVUONWRJDZKN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222627;MM222627;C=C(CC(C)(C)N)C(C)F;QLDWIDRPFSFXIL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222628;MM222628;C=C(CC(C)(C)N)C(F)F;IAUSVVLLSJFUIF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222629;MM222629;NN=C(C#CCCF)NO;HKKXWIIKBNGCAR-UHFFFAOYSA-N;145.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222630;MM222630;C=C(CC(C)(C)O)C(C)N;MUAUJYZKVPXUJX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222631;MM222631;C=C(CC(C)(C)O)C(C)O;MCGFDAVYDDKMCZ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222632;MM222632;C=C(CC(C)(C)O)C(C)F;GXRKDVZAFRWNNI-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222633;MM222633;CC(C)C(=O)CC(C)(C)O;BZTRLOJUDTVVMK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222634;MM222634;CC(O)C(=O)CC(C)(C)O;YIFBRFXCVSFGBU-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222635;MM222635;C=C(CC(C)(C)F)C(C)C;SPYNEGOOHGJDKZ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222636;MM222636;C=C(CC(C)(C)F)C(C)N;NHEGODRXEFYMHA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222637;MM222637;C=C(CC(C)(C)F)C(C)O;DAVZKHCUVMQWNY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222638;MM222638;CC(C)C(=O)CC(C)(C)F;PYUDOYHKPKNLTG-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222639;MM222639;CC(F)C(=O)CC(C)(C)F;QDSLCULMEXERMA-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222640;MM222640;C=C(CC(C)(F)F)C(C)C;XIUVVFMDFNAASV-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222641;MM222641;C=C(CC(C)(F)F)C(C)N;CHENTXWIJUURNX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222642;MM222642;C=C(CC(C)(F)F)C(C)O;FENKQRNKJIQWBP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222643;MM222643;C=C(CC(C)(F)F)C(C)F;VFFFSIUWLCFGHA-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222644;MM222644;CC(C)C(=O)CC(C)(F)F;FFBOAVXFGFICDA-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222645;MM222645;C=C(CC(F)(F)F)C(C)C;BTROLHKEHPHUMH-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222646;MM222646;CC(C)C(=N)NC(C)(C)C;BQBLARASMOYRNY-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222647;MM222647;CC(O)C(=N)NC(C)(C)C;CDLLBDGCWIFEAI-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222648;MM222648;CC(O)C(=O)NC(C)(C)C;DLZIWUSVVGVHNK-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222649;MM222649;C=C(OC(C)(C)C)C(C)C;LDVVAVHLLIVHJU-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222650;MM222650;C=C(OC(C)(C)C)C(C)N;FKZPSHVEQNGWAS-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222651;MM222651;C=C(OC(C)(C)C)C(C)O;XFGBYNLFBBTILF-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222652;MM222652;C=C(OC(C)(C)C)C(C)F;CSPSFTSZESYSDL-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222653;MM222653;CC(C)C(=O)OC(C)(C)C;KVWOTUDBCFBGFJ-UHFFFAOYSA-N;144.21;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222654;MM222654;CC(O)C(=O)OC(C)(C)C;IXXMVXXFAJGOQO-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222655;MM222655;CC(F)C(=O)OC(C)(C)C;WALVVYMQUOKDJZ-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222656;MM222656;CN(C)C(=N)CC(C)(C)C;ILFVDRZGDLPGDH-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222657;MM222657;CN(N)C(=N)CC(C)(C)C;CGZAKVVUSLDVDS-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222658;MM222658;CN(O)C(=N)CC(C)(C)C;CJHBPJXLCVNTRU-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222659;MM222659;CN(N)C(=O)CC(C)(C)C;BOBXLVMHZPSOAS-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222660;MM222660;CN(O)C(=O)CC(C)(C)C;HPEPSCNSHRYJIS-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222661;MM222661;CN(C)C(=N)CC(C)(C)N;UIXSVTYQBOYJNQ-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222662;MM222662;CN(C)C(=O)CC(C)(C)O;LRXCEDOYEVYBQR-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222663;MM222663;CN(N)C(=N)CC(C)(C)F;CXZVRZOQORCLCI-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222664;MM222664;C#CCON=C(NN)NO;PXHPZIDRTVXPRW-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222665;MM222665;CN(O)C(=O)CC(C)(C)F;HEJQVDMENIKHMW-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222666;MM222666;CN(C)C(=N)CC(C)(F)F;VLIJWLLFAIOURO-UHFFFAOYSA-N;150.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222667;MM222667;CN(N)C(=N)CC(C)(F)F;RSLXSEMCAALTST-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222668;MM222668;CN(C)C(=N)CC(F)(F)F;HTAFKOHIWRDDDT-UHFFFAOYSA-N;154.14;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222669;MM222669;CN(C)C(=N)NC(C)(C)C;USFVKLNKCCQANN-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222670;MM222670;CN(N)C(=N)NC(C)(C)C;WEANSFQDZCHOKV-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222671;MM222671;CN(O)C(=N)NC(C)(C)C;JJNUISDYJMIBIE-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222672;MM222672;CN(C)C(=N)OC(C)(C)C;BBJJPAPQRZCPCF-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222673;MM222673;CN(C)C(=O)OC(C)(C)C;RJSZFSOFYVMDIC-UHFFFAOYSA-N;145.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222674;MM222674;C=C(C)C(=C)CC(C)(C)C;GQFZKDDIOQTLGL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222675;MM222675;C=C(CC(C)(C)C)C(C)=O;ZJISLIGAODBNFY-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222676;MM222676;C=C(CC(C)(C)C)C(=N)N;CDISGGAPCBCGFG-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222677;MM222677;CC#CC12CC1N(O)C=N2;FUEHYLQCBRWXRH-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222678;MM222678;C=C(C)C(=O)CC(C)(C)C;ODPSLYSRYTWODF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222679;MM222679;CC(C)(C)CC(=O)C(N)=O;PODUFLVIRDWRIG-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222680;MM222680;C=C(C)C(=C)CC(C)(C)N;DSQSXXRQLUSRCQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222681;MM222681;C=C(CC(C)(C)N)C(=N)N;LRFTYMMALJBZKG-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222682;MM222682;C#CCn1cc(CO)cn1;LAUOKDJECSJIMW-UHFFFAOYSA-N;136.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222683;MM222683;C=C(CC(C)(C)O)C(C)=O;TVCGLZMYCFAZIN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222684;MM222684;C#CCc1cc(CC)n[nH]1;MASGFRFYHQMWIJ-UHFFFAOYSA-N;134.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222685;MM222685;OCC(F)(C=NO)C=NO;BAGPBVRZKYBEHA-UHFFFAOYSA-N;150.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222686;MM222686;C=C(F)C(=C)CC(C)(C)O;JLFAIWHPYAWMJN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222687;MM222687;Nn1nc(O)cnc1=NO;LKOYFIJLCAJWCS-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222688;MM222688;C=C(C)C(=C)CC(C)(C)F;ZADSQHHKTPOLNF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222689;MM222689;C=C(CC(C)(C)F)C(C)=O;HXEXGZFQFPOHJN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222690;MM222690;C=C(CC(C)(C)F)C(=N)N;VQHISJQRKQIZDZ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222691;MM222691;C#CC(CO)N1CC1CO;RDUQNFYIHQHVDB-UHFFFAOYSA-N;141.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222692;MM222692;C=C(C)C(=O)CC(C)(C)F;JLVIXKAHADOPDP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222693;MM222693;C=C(C)C(=C)CC(C)(F)F;UJZQMTOOUUKZLZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222694;MM222694;C=C(CC(C)(F)F)C(C)=O;ZKSLWXGVVYJEDP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222695;MM222695;C=C(C)C(=O)CC(C)(F)F;UMRIEZRWANHBFE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222696;MM222696;C=C(C)C(=C)CC(F)(F)F;WWAMJPHLDDDMMD-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222697;MM222697;C=C(CC(F)(F)F)C(C)=O;IWSBNFCHTNQJHZ-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222698;MM222698;C=C(CC(F)(F)F)C(=N)N;WSOYTBCYSHMXPT-UHFFFAOYSA-N;152.12;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222699;MM222699;C=C(CC(F)(F)F)C(N)=O;PUOBCRKNFDRKIK-UHFFFAOYSA-N;153.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222700;MM222700;C=C(C)C(=N)NC(C)(C)C;FPPWXIFNBWXAOR-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222701;MM222701;CC1C(C(C#N)C=O)N1C;YOLVIAMLRMTMAG-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222702;MM222702;CC(=O)C(=O)NC(C)(C)C;NXOFYGCPICKXJV-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222703;MM222703;CCn1ncc(C#N)c1O;CKLDCDKVODTBQM-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222704;MM222704;C=C(C)C(=C)OC(C)(C)C;UNARBFUJLGCYQR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222705;MM222705;C=C(OC(C)(C)C)C(C)=O;QSYOWGJPYZAHNS-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222706;MM222706;C=C(OC(C)(C)C)C(=N)N;DSCXWKHITOCMPD-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222707;MM222707;NN=C(C#CC1CC1)NO;PTSBPTZAOGTRAE-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222708;MM222708;C=C(C)C(=O)OC(C)(C)C;SJMYWORNLPSJQO-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222709;MM222709;CC(=CC(C)(C)C)C(C)C;AJLLFAGUBKTXFB-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222710;MM222710;CC(=CC(C)(C)C)C(C)N;FPYBFZLWNBEZKW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222711;MM222711;OCC1C=CC2(CO)NC12;AEYFSSRYZINYLC-UHFFFAOYSA-N;141.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222712;MM222712;CC(=CC(C)(C)N)C(C)C;DKFKPONQDKWVBK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222713;MM222713;CC(=CC(C)(C)N)C(C)N;LDLOPOXQHOKMBN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222714;MM222714;CC(=CC(C)(C)N)C(C)O;BWWAHRBRFSNGGX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222715;MM222715;CC(=CC(C)(C)N)C(C)F;WZPKOAYXJFCPQC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222716;MM222716;CC(=CC(C)(C)N)C(F)F;ZWVFOLPCEVTNGG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222717;MM222717;CC(C)C(F)=CC(C)(C)N;ADRLWZFQKJYXMM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222718;MM222718;NN(C=O)C(=O)CF;ONGJTRHZXRWNDK-UHFFFAOYSA-N;120.08;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222719;MM222719;CC(=CC(C)(C)O)C(C)N;QLBBPHMDKMNVHD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222720;MM222720;CC(=CC(C)(C)O)C(C)O;AGRRINHRXCKGMZ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222721;MM222721;CC(=CC(C)(C)O)C(C)F;QCYHGJLDIBEMES-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222722;MM222722;CC(=CC(C)(C)O)C(F)F;HECHBSHNLCYRRP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222723;MM222723;CC(C)C(F)=CC(C)(C)O;QTQRKRPCKMOOIN-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222724;MM222724;CC(O)C(F)=CC(C)(C)O;XSUXKACLZRPBNQ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222725;MM222725;CC(=CC(C)(C)F)C(C)C;ABULFIUZNDFIRQ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222726;MM222726;CC(=CC(C)(C)F)C(C)N;FHLMCHNNWMMQFK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222727;MM222727;CC(=CC(C)(C)F)C(C)O;ZNCZURMVGNQQFW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222728;MM222728;CC(=CC(C)(F)F)C(C)O;CTDHCBYYQWKBHK-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222729;MM222729;CC(=CC(C)(F)F)C(C)F;CXWVNFGMEFOEOR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222730;MM222730;CC(O)C(F)=CC(C)(F)F;COKMCOYPEIWBPB-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222731;MM222731;CC(=CC(F)(F)F)C(C)F;NGOAFLPPADATNO-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222732;MM222732;CC(=NC(C)(C)C)N(C)C;URZRLNRMXOTCGL-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222733;MM222733;CC(=NC(C)(C)C)N(C)N;DCGMULDDPHDKTE-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222734;MM222734;C=C(C)C(C)=CC(C)(C)C;VRNGORLCGVESDA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222735;MM222735;CC(=O)C(C)=CC(C)(C)C;BXLDZLQMKWGWCC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222736;MM222736;CC(=CC(C)(C)C)C(=N)N;QWSSMQJWIQMQTJ-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222737;MM222737;C#CC(=NNC)NO;UUDKWVGOYRNNKS-UHFFFAOYSA-N;113.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222738;MM222738;C=C(C)C(F)=CC(C)(C)C;IBAZBHOILYCZSS-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222739;MM222739;C=C(C)C(C)=CC(C)(C)N;TZWPTWPBKNFONZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222740;MM222740;C=C(F)C(C)=CC(C)(C)N;CZDJIIWTPWAAMN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222741;MM222741;CC(C)(N)C=C(F)C(=N)N;WOKJQWFZZCOKPL-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222742;MM222742;CC(C)(N)C=C(F)C(N)=O;ODTGJAFAHIBLMP-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222743;MM222743;CC12CC1N(O)C=N2;JFTMFQPGNWELFB-UHFFFAOYSA-N;112.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222744;MM222744;CC(=O)C(C)=CC(C)(C)O;YMHSPTHTPFFLGA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222745;MM222745;C=C(F)C(C)=CC(C)(C)O;AZHYQZAOVJFYAS-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222746;MM222746;C=C(C)C(F)=CC(C)(C)O;CHTKXKCXAFKKFD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222747;MM222747;CC(=O)C(F)=CC(C)(C)O;RJFAGEASSCDYHG-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222748;MM222748;CC(C)(O)C=C(F)C(N)=O;NSZPQEKONFPRDY-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222749;MM222749;C=C(C)C(C)=CC(C)(C)F;UMIITTTUEXTAMJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222750;MM222750;CC(=O)C(C)=CC(C)(C)F;AXXOHFQOLRDFKF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222751;MM222751;CC(=CC(C)(C)F)C(=N)N;RQFKQTYHXGPOHZ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222752;MM222752;CN=C1CN(O)C=N1;XVKGEUQLYMCCBH-UHFFFAOYSA-N;113.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222753;MM222753;C=C(F)C(C)=CC(C)(C)F;YXUCGPXQZZMAOF-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222754;MM222754;CC(=O)C(F)=CC(C)(C)F;FBRUJNJIKBFVQG-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222755;MM222755;C=C(C)C(C)=CC(C)(F)F;BKBZIJCOGYVWGA-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222756;MM222756;CC(=O)C(C)=CC(C)(F)F;ZCWSOHUURBFPLG-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222757;MM222757;NN=C1CN(O)C=N1;FZQLJWCHEZZMFI-UHFFFAOYSA-N;114.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222758;MM222758;CC(=O)C(F)=CC(C)(F)F;UDYOXIATSOOAGI-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222759;MM222759;C=C(C)C(C)=CC(F)(F)F;XYPCJVRMYVQSDX-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222760;MM222760;CC(=O)C(C)=CC(F)(F)F;YQFPYPSTWBOKIL-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222761;MM222761;CC(=CC(F)(F)F)C(N)=O;VOZWUTZELBALQF-UHFFFAOYSA-N;153.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222762;MM222762;CC(C)=C(C)CC(C)(C)C;XXFJBCQRDWRJRS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222763;MM222763;CC(F)=C(C)CC(C)(C)C;TUJWULVEORQRBH-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222764;MM222764;CC(C)=C(C)CC(C)(C)N;NCUIZRFJPJCUKW-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222765;MM222765;CC(CC(C)(C)N)=C(F)F;OFLRSIMUTNYWQO-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222766;MM222766;CC(C)=C(F)CC(C)(C)N;FYELUPCDIPWMIF-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222767;MM222767;CC(F)=C(F)CC(C)(C)N;VRPWRVDRYDLLAL-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222768;MM222768;COn1cnc(N)n1;HILNLGXOLJCBLA-UHFFFAOYSA-N;114.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222769;MM222769;CC(F)=C(C)CC(C)(C)O;WWTBFLCUZRAKIR-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222770;MM222770;CC(C)=C(C)CC(C)(C)F;QCJMMSHGFPARGX-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222771;MM222771;CC(F)=C(C)CC(C)(C)F;NAGQLDZHGPNJQO-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222772;MM222772;CC(C)=C(C)CC(C)(F)F;MQMFAFZXUWRBBB-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222773;MM222773;CC(F)=C(C)CC(C)(F)F;LHACYELZEGJQGT-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222774;MM222774;CC(C)=C(F)CC(C)(F)F;JZEUAJAISIVOPE-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222775;MM222775;CC(C)=C(C)CC(F)(F)F;COGLISXMMDVDJC-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222776;MM222776;CC(F)=C(C)CC(F)(F)F;BNAQQBAYTXOUET-UHFFFAOYSA-N;156.12;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222777;MM222777;CC(C)=C(C)OC(C)(C)C;ZPYKPTGAHDOUGM-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222778;MM222778;CC(F)=C(C)OC(C)(C)C;ZJZWTFHQVGFCBL-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222779;MM222779;CC(OC(C)(C)C)=C(F)F;JLQMJOGTSSHUPY-UHFFFAOYSA-N;150.17;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222780;MM222780;CC(C)C(C)(C)C(C)(C)N;YQQKIEPKLAMMIM-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222781;MM222781;CC(N)C(C)(C)C(C)(C)N;NBUGUQFIYUNXCW-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222782;MM222782;CC(O)C(C)(C)C(C)(C)N;OHFDOXOGOMFPID-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222783;MM222783;CC(F)C(C)(C)C(C)(C)N;AZDTXXCCOWZKGW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222784;MM222784;CC(C)(N)C(C)(C)C(F)F;CZRMJUVECVURPS-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222785;MM222785;CC(N)C(C)(C)C(C)(C)O;GRDYBFDPSIAKSH-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222786;MM222786;CC(O)C(C)(C)C(C)(C)O;SOZFVEBFRCACOE-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222787;MM222787;CC(F)C(C)(C)C(C)(C)O;NYYKMNYRINYBKW-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222788;MM222788;CC(C)(O)C(C)(C)C(F)F;AIXRQQXXPNXVFI-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222789;MM222789;CC(N)C(C)(C)C(C)(F)F;SLRSVIJQGZZWQW-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222790;MM222790;CC(F)C(C)(C)C(C)(F)F;VBOLPEVTGPPSND-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222791;MM222791;CC(C)C(C)(C)C(F)(F)F;VLHQPYOMLKCLSG-UHFFFAOYSA-N;154.18;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222792;MM222792;CC(N)C(C)(C)C(F)(F)F;YEPSKCNKELIRAU-UHFFFAOYSA-N;155.16;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222793;MM222793;CC(F)C(C)(C)C(F)(F)F;CUZBJZYJADAPTP-UHFFFAOYSA-N;158.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222794;MM222794;CC(C)C(C)(N)C(C)(C)N;LKSSCXLESDMJEU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222795;MM222795;CC(C)(N)C(C)(N)C(F)F;ACSAMQWQEFJDRU-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222796;MM222796;CC(C)C(C)(N)C(C)(C)O;PTEPAXAWIHLLTN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222797;MM222797;CC(N)C(C)(N)C(C)(F)F;LYETZBSAUANURJ-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222798;MM222798;CC(C)C(C)(O)C(C)(C)N;MTTMNODCWNMMMW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222799;MM222799;CC(C)C(C)(O)C(C)(C)O;MBDRJLVHSPRDIC-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222800;MM222800;CC(C)C(C)(F)C(C)(C)N;QXWYECKNSBMFER-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222801;MM222801;CC(F)C(C)(F)C(C)(C)N;YMNHKWIGZZRRHI-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222802;MM222802;CC(C)(N)C(C)(F)C(F)F;XZSUDAPWHYRRHB-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222803;MM222803;CC(C)C(C)(F)C(C)(C)O;VSEMXCTXOUEVDL-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222804;MM222804;CC(F)C(C)(F)C(C)(C)O;RTGPBJBMRUCRGO-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222805;MM222805;CC(C)(O)C(C)(F)C(F)F;VDSVWXVUKBOAKY-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222806;MM222806;CC(C)C(F)(F)C(C)(C)O;OFVKXOGSSVRPNL-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222807;MM222807;CC(F)C(F)(F)C(C)(C)O;GTHMDOGALOOBES-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222808;MM222808;CN(C)C(C)(C)C(C)(C)C;DDXWCWBJFFJKGP-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222809;MM222809;CN(C)C(C)(C)C(C)(C)N;LYDOWNGQPPCOMJ-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222810;MM222810;CN(C)C(C)(C)C(C)(C)O;XIQMOJPBTZCSDM-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222811;MM222811;C=C(C)C(C)(C)C(C)(C)C;VDNYYJYAYYFTAQ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222812;MM222812;CC(=O)C(C)(C)C(C)(C)C;VVCKMVBQLNBXOE-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222813;MM222813;CC(C)(C)C(C)(C)C(=N)N;WZUYJFNOGRVSEG-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222814;MM222814;COc1cc(C)[nH]n1;GZWAVQOMDAZDIT-UHFFFAOYSA-N;112.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222815;MM222815;CC(C)(C)C(C)(C)C(=O)O;PIBUNTNSFAPZPC-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222816;MM222816;C=C(F)C(C)(C)C(C)(C)C;KWQXHWSJSASFOD-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222817;MM222817;C=C(C)C(C)(C)C(C)(C)N;QQVJAZXRFBPARJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222818;MM222818;C=C(F)C(C)(C)C(C)(C)N;BFKZRNYUGMOZHN-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222819;MM222819;CC1N=CN(O)C1C;NAYSANBJPQPKKZ-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222820;MM222820;CC(=O)C(C)(C)C(C)(C)O;OMVOGGRXOPWJJY-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222821;MM222821;CC(C)(O)C(C)(C)C(=N)N;AEIKYFCJKWMWJX-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222822;MM222822;CC(C)(O)C(C)(C)C(N)=O;KVNKEKRRGXTLEK-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222823;MM222823;NN=c1o[nH]c(F)c1O;BONNAYMFCWADTQ-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222824;MM222824;C=C(F)C(C)(C)C(C)(C)O;USYMWGUOKAENGS-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222825;MM222825;C=C(C)C(C)(C)C(C)(C)F;OZUYPCDCSXDOAW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222826;MM222826;CC(=O)C(C)(C)C(C)(C)F;DTAXVEWYZXPJQQ-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222827;MM222827;CC(C)(F)C(C)(C)C(=N)N;PIJAMOOJLYJMII-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222828;MM222828;CC(C)(F)C(C)(C)C(N)=O;PYNCWZBECIPDPJ-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222829;MM222829;CC(C)(F)C(C)(C)C(=O)O;FLMCSYBBMPTRIP-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222830;MM222830;C=C(C)C(C)(C)C(C)(F)F;PDWIKJPAXGRGBQ-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222831;MM222831;CC(=O)C(C)(C)C(C)(F)F;VPSONNPFZYECRV-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222832;MM222832;CC(F)(F)C(C)(C)C(=N)N;UQYWQNBDTPRNTI-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222833;MM222833;CC(F)(F)C(C)(C)C(N)=O;NQAUBRLKXYKFFU-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222834;MM222834;CC(F)(F)C(C)(C)C(=O)O;KBPAOLBWGLCGHD-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222835;MM222835;C=C(F)C(C)(C)C(C)(F)F;LZCVPKXHAFZWIA-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222836;MM222836;C=C(C)C(C)(C)C(F)(F)F;JCGOWFLACSWCKX-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222837;MM222837;CC(=O)C(C)(C)C(F)(F)F;MCNZHBZJJRPBMI-UHFFFAOYSA-N;154.13;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222838;MM222838;CC(C)(C(=N)N)C(F)(F)F;JPARVMHNKFLSLH-UHFFFAOYSA-N;154.14;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222839;MM222839;CC(C)(C(N)=O)C(F)(F)F;ASDPKQQQAJWHOS-UHFFFAOYSA-N;155.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222840;MM222840;CC(C)(C(=O)O)C(F)(F)F;VMFSJVUPIXOCFO-UHFFFAOYSA-N;156.1;1.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222841;MM222841;C=C(F)C(C)(C)C(F)(F)F;XEVFKJLVQPNSDU-UHFFFAOYSA-N;156.12;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222842;MM222842;C=C(C)C(C)(N)C(C)(C)N;JEZRACCVGXXVOY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222843;MM222843;C=C(C)C(C)(N)C(C)(C)O;HEOSXIZHFFRKBO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222844;MM222844;CC(C)(F)C(C)(N)C(=N)N;MIZADIMCOCBKOT-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222845;MM222845;CC1N(O)C=NC1(C)C;NJMGXFDFSLXPSQ-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222846;MM222846;NN=c1[nH]n(N)c(=O)n1O;NTFVDGLPJYZRCD-UHFFFAOYSA-N;146.11;-3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222847;MM222847;CC(=O)C(C)(O)C(C)(C)C;LNZWAKZTVCIJRH-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222848;MM222848;C=C(C)C(C)(O)C(C)(C)N;CDHBVCJDWFHKHW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222849;MM222849;C=C(F)C(C)(O)C(C)(C)N;JKOSYAFLZOWPFP-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222850;MM222850;C=C(C)C(C)(O)C(C)(C)O;YBBWGMLPZBMGJZ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222851;MM222851;C=C(F)C(C)(O)C(C)(C)O;QJRFTONLCKAUSW-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222852;MM222852;CC(=O)C(C)(O)C(C)(C)F;BXLMKUCLKASDMT-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222853;MM222853;CC(C)(F)C(C)(O)C(N)=O;UZNVZOJABIDSPA-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222854;MM222854;NN=c1[nH]c(F)co1;WEFCMWMEMREMOL-UHFFFAOYSA-N;117.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222855;MM222855;C=C(C)C(C)(O)C(C)(F)F;CRLFVVNMFAUPQQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222856;MM222856;C=C(F)C(C)(O)C(C)(F)F;ATKBJXUPJDVHKM-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222857;MM222857;CC(O)(C(N)=O)C(F)(F)F;IVCQKNKGXMVJOZ-UHFFFAOYSA-N;157.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222858;MM222858;CC(=O)C(C)(F)C(C)(C)C;ISHNHAPECKDMFU-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222859;MM222859;CC(C)(C)C(C)(F)C(=O)O;ZTKQUFBONLFERA-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222860;MM222860;C=C(C)C(C)(F)C(C)(C)N;SZUDRNKULQRQNR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222861;MM222861;C=C(F)C(C)(F)C(C)(C)N;OEZXFQXKXSWAEJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222862;MM222862;C=C(C)C(C)(F)C(C)(C)O;UHWKYEICULKZQT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222863;MM222863;CC(C)(O)C(C)(F)C(N)=O;GHXYJLIZOHJRCX-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222864;MM222864;C=C(F)C(C)(F)C(C)(C)O;ZEUDCJGGMKRIFX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222865;MM222865;C=C(C)C(C)(F)C(C)(C)F;BPDGJZRIYCTOEK-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222866;MM222866;CC(=O)C(C)(F)C(C)(C)F;QTKZDMIVXNWVTD-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222867;MM222867;CC(C)(F)C(C)(F)C(N)=O;DZWAFTNTPVIZCG-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222868;MM222868;C=C(C)C(C)(F)C(C)(F)F;UWAVXZPHSZJHFT-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222869;MM222869;CC(=O)C(C)(F)C(C)(F)F;OLGFOOVAYLPZAL-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222870;MM222870;CC(F)(F)C(C)(F)C(N)=O;RXNBMMVOWPJYSM-UHFFFAOYSA-N;155.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222871;MM222871;C=C(C)C(C)(F)C(F)(F)F;DDGWRYOWGLKSCG-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222872;MM222872;CC(=O)C(C)(F)C(F)(F)F;IFYJDMPUCAOUEK-UHFFFAOYSA-N;158.09;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222873;MM222873;CC(=O)C(F)(F)C(C)(C)C;BAFKSNILHREXCY-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222874;MM222874;CC(C)(C)C(F)(F)C(N)=O;OLMNDHKFGYJGLQ-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222875;MM222875;C=C(C)C(F)(F)C(C)(C)O;VVNQXBKYXDJMSK-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222876;MM222876;C=C(F)C(F)(F)C(C)(C)O;JTDVLDMHEKEPOG-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222877;MM222877;C=C(C)C(F)(F)C(C)(C)F;MVNYMRBWQGIKJS-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222878;MM222878;CC(=O)C(F)(F)C(C)(C)F;PTCNLQBWMXMOIO-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222879;MM222879;C=C(C)C(F)(F)C(C)(F)F;IMHDNVUTTLRQKI-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222880;MM222880;CC(=O)C(F)(F)C(C)(F)F;GQQVXHXVVZHRGQ-UHFFFAOYSA-N;158.09;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222881;MM222881;CC(F)(F)C(F)(F)C(N)=O;MIDZBBPCQRUQAN-UHFFFAOYSA-N;159.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222882;MM222882;CC#CC1(C)CC(C)(C)C1;RINWMAVLDYXYJB-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222883;MM222883;CC#CC1(C)CC(C)(N)C1;CSGCKPLGUUYOAJ-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222884;MM222884;CC1(O)CNC(C#N)C1;PGQCHQRHVNBNLG-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222885;MM222885;CC#CC1(C)CC(C)(F)C1;VDWJPRQOWWYVLX-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222886;MM222886;CC#CC1(C)CC(F)(F)C1;IQTJFKJOKSPLEX-UHFFFAOYSA-N;144.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222887;MM222887;CC#CC1(N)CC(C)(C)C1;DFDRGTJANZPJMO-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222888;MM222888;CC#CC1(N)CC(C)(N)C1;PYKUPFPXCXLMTA-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222889;MM222889;CC#CC1(N)CC(C)(O)C1;LCTJYXXSQMCUCQ-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222890;MM222890;CC#CC1(N)CC(C)(F)C1;PIGYDJQRLZURIP-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222891;MM222891;CC#CC1(O)CC(C)(C)C1;PXQWRQOCSVKAGH-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222892;MM222892;CC#CC1(O)CC(C)(N)C1;NNIFXQREPVVXTH-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222893;MM222893;CC#CC1(O)CC(C)(O)C1;GTYSELWHILCXQV-UHFFFAOYSA-N;140.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222894;MM222894;CC#CC1(C)CC(C)(C)N1;PGOSPPIXNJPXMO-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222895;MM222895;CC1CC1(C)CC(C)(C)C;WWLBCOQPZISPRM-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222896;MM222896;CC1CC1(C)CC(C)(C)N;ZORZDUYFBKJWFW-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222897;MM222897;CC1=NC(=N)CCN1O;QORPEXLIPLOANP-UHFFFAOYSA-N;127.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222898;MM222898;CC1CC1(C)CC(C)(C)F;SDYCXIFHAVUWQB-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222899;MM222899;CC1CC1(C)CC(C)(F)F;FGICWZUJGHEEND-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222900;MM222900;CC1CC1(C)CC(F)(F)F;ICRFZNJPRWITFQ-UHFFFAOYSA-N;152.16;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222901;MM222901;CC(C)(C)CC1(C)CC1N;PFJQFAWDRQEEKK-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222902;MM222902;CC(C)(N)CC1(C)CC1N;GGDAIGOLCWANJT-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222903;MM222903;CC(C)(O)CC1(C)CC1N;RKYUJUXEMCBJIG-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222904;MM222904;CC(C)(F)CC1(C)CC1N;CROATWCUEFXOIR-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222905;MM222905;CC(F)(F)CC1(C)CC1N;BMVBYUSMZZHKPP-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222906;MM222906;CC1(CC(F)(F)F)CC1N;SFJPWGFBHUVBOW-UHFFFAOYSA-N;153.15;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222907;MM222907;CCN=C1CN(O)C=N1;OYJXCMQZBGZOAB-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222908;MM222908;CC(C)(N)CC1(C)CC1O;XOSYWOFFFRSNJW-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222909;MM222909;CC(C)(O)CC1(C)CC1O;STPSJRRWLMKNTG-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222910;MM222910;CC(C)(C)CC1(C)CC1F;JCGUMVSLQAABAY-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222911;MM222911;CC(C)(F)CC1(C)CC1F;UOGSHSVQUYYLBD-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222912;MM222912;CC1CC1(N)CC(C)(C)C;FCNAAWPTPDGMBY-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222913;MM222913;CC1CC1(N)CC(C)(C)N;BFRKGVFWIPAAKH-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222914;MM222914;CC1CC1(N)CC(C)(C)O;RDAFRYKQFVLSGE-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222915;MM222915;CC1CC1(N)CC(C)(C)F;VRPHKIQYTXCXCH-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222916;MM222916;CC1CC1(N)CC(C)(F)F;UMPNWHDLKCCKLW-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222917;MM222917;CC1CC1(N)CC(F)(F)F;HNVHKFGWWDKAIS-UHFFFAOYSA-N;153.15;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222918;MM222918;CC(C)(C)CC1(N)CC1N;RJWKISNAVVQEIF-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222919;MM222919;CC(C)(N)CC1(N)CC1N;DOONXGWVNIYQRT-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222920;MM222920;CC(C)(F)CC1(N)CC1N;YLRPZSJQMZQKRM-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222921;MM222921;CC(C)(C)CC1(N)CC1O;IJBFURNISPEDIL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222922;MM222922;CC(C)(N)CC1(N)CC1O;PGCKNIOXRBWKJT-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222923;MM222923;CC(C)(F)CC1(N)CC1O;ZZHLOUPDUUGCLS-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222924;MM222924;NC1(CC(F)(F)F)CC1O;PATWFDHJQUQALI-UHFFFAOYSA-N;155.12;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222925;MM222925;CCC1N=CN(O)C1C;NXVSEEXILLKTMP-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222926;MM222926;CC1CC1(O)CC(C)(C)N;QSMJVDTVTKTCCM-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222927;MM222927;CC1CC1(O)CC(C)(C)O;VFOAJKQUSAHVRG-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222928;MM222928;CC1CC1(O)CC(C)(C)F;MUVZYARYWQOUNR-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222929;MM222929;CC1CC1(O)CC(F)(F)F;KXXSGLGSIRCEGM-UHFFFAOYSA-N;154.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222930;MM222930;CC(C)(C)CC1(O)CC1N;WEUZUWDPWPMBSF-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222931;MM222931;CC(C)(F)CC1(O)CC1N;IHZNXXIAOYHYPP-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222932;MM222932;OC1CC1(O)CC(F)(F)F;PPQUZFMAMAYICX-UHFFFAOYSA-N;156.1;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222933;MM222933;CC1CC1(F)CC(C)(C)C;KPQYHRAXCCFPKZ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222934;MM222934;CC1CC1(F)CC(C)(C)N;SXFZEFIMEUPDTJ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222935;MM222935;CC1CC1(F)CC(C)(C)O;NISXFEDKGWDFMC-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222936;MM222936;CC(C)(F)CC1(F)CC1N;TZERUQLSDZQGSK-UHFFFAOYSA-N;149.18;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222937;MM222937;CC1CC1(C)NC(C)(C)C;HOXXXUPMGPNSOC-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222938;MM222938;CC(C)(C)NC1(C)CC1N;SHFRUJGULWGXCZ-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222939;MM222939;CC(C)(C)NC1(C)CC1O;VNLUOPCLUBYOEW-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222940;MM222940;CC1CC1(C)OC(C)(C)C;AKKQQAUUYSTXPG-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222941;MM222941;CC(C)(C)OC1(C)CC1N;MVFRRXIXWVFRGB-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222942;MM222942;CC(C)(C)OC1(C)CC1O;NWIYZPRFIRSXGO-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222943;MM222943;CC1NC1(C)CC(C)(C)N;XJPQIVWOGKAHSX-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222944;MM222944;CC1OC1(C)CC(C)(C)C;AEXFPIFJZSMJAQ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222945;MM222945;CC1OC1(C)CC(C)(C)N;PGCITICXNXEEKL-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222946;MM222946;CC1OC1(C)CC(C)(C)O;GJGLKMYUWJKIJS-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222947;MM222947;CC1OC1(C)CC(C)(C)F;AABAGKMHFWSHDW-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222948;MM222948;CC1OC1(C)CC(C)(F)F;VDUHYFDDZONZCO-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222949;MM222949;CC1OC1(C)CC(F)(F)F;KCWXSIBTYISITF-UHFFFAOYSA-N;154.13;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222950;MM222950;CN1CC1(C)CC(C)(C)N;WOQUEOUGQWJRMG-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222951;MM222951;CN1CC1(C)CC(C)(F)F;XVHDMOGNKRYSQG-UHFFFAOYSA-N;149.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222952;MM222952;CN1CC1(C)CC(F)(F)F;LKSRDRKUDKUEKB-UHFFFAOYSA-N;153.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222953;MM222953;CC1C(C(C)(C)C)C1(C)C;CSHDDBFVMMKXBF-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222954;MM222954;CC(C)(N)C1C(N)C1(C)C;WANKVVBJHNIRLR-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222955;MM222955;CC(C)(O)C1C(N)C1(C)C;BZPGHCHEOQPIQO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222956;MM222956;CC(C)(F)C1C(N)C1(C)C;MLASATMQWDZHQA-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222957;MM222957;C=CC1N=CN(O)C1C;QRKVJJQFTGWXRQ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222958;MM222958;CC(C)(N)C1C(O)C1(C)C;ORBCGHBCHIUNJB-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222959;MM222959;CC1C(C(C)(C)C)C1(C)N;HJVFBRUDFAOUBG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222960;MM222960;CC1C(C(C)(C)F)C1(C)N;DKCXBAUFNSQROV-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222961;MM222961;CC(C)(N)C1C(N)C1(C)N;GDARZGDKXJZXKQ-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222962;MM222962;CC(C)(O)C1C(N)C1(C)N;MDXVUMHGESAALD-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222963;MM222963;CC1C(C(C)(F)F)C1(C)O;LUGXIPYJEIFOIE-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222964;MM222964;CC1C(C(F)(F)F)C1(C)O;YSZSPTFHMFOSME-UHFFFAOYSA-N;154.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222965;MM222965;CC(C)(N)C1C(N)C1(C)O;MGJHLSWVHDZVIJ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222966;MM222966;CC(F)(F)C1C(N)C1(C)O;QIUWTJBRQMCSNW-UHFFFAOYSA-N;151.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222967;MM222967;CC1C(C(C)(C)C)C1(C)F;MNXKEOUOVHQYQT-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222968;MM222968;CN1C(C(C)(C)F)C1(C)C;XWXFFXHRBWBEDU-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222969;MM222969;CN1C(C(C)(F)F)C1(C)C;MMFFPBQIHKKURR-UHFFFAOYSA-N;149.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222970;MM222970;CC(C)(C)CC1CC1(C)C;NCANCDWNDRMSRJ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222971;MM222971;CC(C)(N)CC1CC1(C)C;AOAGKDIVWAPJQH-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222972;MM222972;CC1C(C=O)N=CN1O;FZFDNLZVRGLOQL-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222973;MM222973;CC(C)(F)CC1CC1(C)C;MOQHRWZLOWPAJC-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222974;MM222974;CC(F)(F)CC1CC1(C)C;HJOPKTLCEITTLS-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222975;MM222975;CC1(C)CC1CC(F)(F)F;OXOAROBWVCZIAB-UHFFFAOYSA-N;152.16;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222976;MM222976;CC(C)(C)CC1CC1(C)N;PLNKHJRFDMOQRI-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222977;MM222977;CC(C)(N)CC1CC1(C)N;SCUUZGZLUOWNFJ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222978;MM222978;CC(C)(O)CC1CC1(C)N;CVFKOSGXWJMPIR-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222979;MM222979;CC(C)(F)CC1CC1(C)N;YGVJIUPNYDKSLN-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222980;MM222980;CC(F)(F)CC1CC1(C)N;WLHUZPUMWGCRRL-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222981;MM222981;CC1(N)CC1CC(F)(F)F;GSAPZGRHUMAVMO-UHFFFAOYSA-N;153.15;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222982;MM222982;C#CC1N=CN(O)C1C;OJSODPYRRJUQIV-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222983;MM222983;CC(C)(N)CC1CC1(C)O;QFCMVYMGAPRQQP-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222984;MM222984;CC(C)(F)CC1CC1(C)O;WZXIFXPFVZGSKO-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222985;MM222985;CC(F)(F)CC1CC1(C)O;JXYWMNFZUJQYOG-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222986;MM222986;CC(C)(C)CC1CC1(C)F;LJYJHTLRTDOUPE-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222987;MM222987;CC(C)(N)CC1CC1(C)F;MHMXUHDYWMASIJ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222988;MM222988;CC(F)(F)CC1CC1(C)F;ZWTIEVGQWJSLRX-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222989;MM222989;CC(C)(C)NC1CC1(C)C;RNFSEGSTXZJALZ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222990;MM222990;CC(C)(C)NC1CC1(C)N;UDGCXNCXOKZUPW-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222991;MM222991;CC(C)(C)NC1CC1(C)O;OSAJRRNZDAMXEF-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222992;MM222992;CC(C)(C)NC1CC1(C)F;ZCHINZXUZPUSPV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222993;MM222993;CC(C)(C)OC1CC1(C)C;YQIIRQZOADETMP-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222994;MM222994;CC(C)(C)OC1CC1(C)N;HJYIIZMNCLWSDD-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222995;MM222995;CC(C)(N)CC1NC1(C)C;RWSXLDGXVRCEOD-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222996;MM222996;CC(C)(C)CC1OC1(C)C;QEWQCNJSAJZVNC-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222997;MM222997;CC(C)(N)CC1OC1(C)C;CEMCFROFHOUZCS-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222998;MM222998;CC(C)(O)CC1OC1(C)C;KVRHLAWMUOEKKT-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM222999;MM222999;CC(C)(F)CC1OC1(C)C;BPLFYMXPFWYBSM-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223000;MM223000;CC1(C)OC1CC(F)(F)F;RUCQICKGPTVCJE-UHFFFAOYSA-N;154.13;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223001;MM223001;CC(C)(N)CN1CC1(C)C;CVCALQZDPJXNHC-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223002;MM223002;CC(C)(F)CN1CC1(C)C;OTKHOPRSTCNAOL-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223003;MM223003;CC1(C)CN(C(C)(C)C)C1;NKDQSPJTLHAWKK-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223004;MM223004;CC1(N)CN(C(C)(C)C)C1;FFBPKQYWCLRSKN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223005;MM223005;CC1CC(C)(N)CC1(C)C;DPNLXUPQFXVSGP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223006;MM223006;N#CC(F)C1(CO)CN1;UKKZNUCPQRSCSC-UHFFFAOYSA-N;130.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223007;MM223007;CC1CC(C)(F)CC1(C)C;YYHAKOODCCAAOD-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223008;MM223008;CC1CC(C)(N)CC1(C)N;LTZWFMXVXODUSA-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223009;MM223009;CC1CC(C)(C)NC1(C)C;HYECSDJJDDNRRE-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223010;MM223010;C=C1CC(C)(C)CC1(C)C;WZXNNJAKJTZOSM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223011;MM223011;C=C1CC(C)(N)CC1(C)C;PYGZXYQBCKUKTJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223012;MM223012;C#CC(F)C1(CO)CN1;DSOHFFUDPIXDTD-UHFFFAOYSA-N;129.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223013;MM223013;C=C1CC(C)(F)CC1(C)C;WEEZBHFBBLOQBB-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223014;MM223014;C=C1CC(C)(C)CC1(C)N;HPJXDGBICZZVBC-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223015;MM223015;C=C1CC(C)(N)CC1(C)N;OWGXRZOLTSUAPJ-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223016;MM223016;NN=C1NCC(CO)O1;FBXMCRXBTVTVCH-UHFFFAOYSA-N;131.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223017;MM223017;C=C1CC(C)(N)CC1(C)O;OSBQDUUPVSSIRP-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223018;MM223018;C=C1OC(C)(C)CC1(C)C;PMZSZCZPYZGHPR-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223019;MM223019;C=C1CC(C)(C)NC1(C)C;DBNUJXTXMIREKR-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223020;MM223020;C=C1CC(C)(C)OC1(C)C;RJICOOPAPIOWPK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223021;MM223021;CC1=CC(C)(C)CC1(C)C;DAOIONQWNISCFV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223022;MM223022;CC1=CC(C)(N)CC1(C)C;RMHPXDUXWBKVOO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223023;MM223023;CCC12CC1N(O)C=N2;TXDBFQNQKIMXNA-UHFFFAOYSA-N;126.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223024;MM223024;CC1=CC(C)(F)CC1(C)C;RYGGTIZIOVGDCM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223025;MM223025;CC1=CC(C)(C)CC1(C)N;ZBYMKCYGIOAHLP-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223026;MM223026;CC1=CC(C)(N)CC1(C)N;ZHGCDDMKVXISPA-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223027;MM223027;CC1=CC(C)(O)CC1(C)N;RHMAUGPSXCZBBJ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223028;MM223028;CC1=CC(C)(F)CC1(C)N;LBWXYVAKRJJJIQ-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223029;MM223029;ON1C=NC2(CF)CC12;QLLAWZZKJFHBGM-UHFFFAOYSA-N;130.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223030;MM223030;CC1=CC(C)(N)CC1(C)O;WBKKNLBNBHPBGN-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223031;MM223031;CC1=CC(C)(C)NC1(C)C;RQCOKCCGTLUWAR-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223032;MM223032;CC1=CC(C)(C)OC1(C)C;VYUFCNDPEHBCKF-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223033;MM223033;CC(C)C1(C)CC(C)(C)C1;LJRIQGKXQKRFCT-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223034;MM223034;CC(C)C1(C)CC(C)(F)C1;HIEICFHDYKQEML-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223035;MM223035;CC(C)C1(C)CC(F)(F)C1;PMJVBAVFTDBLOM-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223036;MM223036;CC(C)C1(N)CC(C)(C)C1;QUGWAJIXMFUQNH-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223037;MM223037;CC(C)C1(N)CC(C)(N)C1;FYIIXDWPMCENOH-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223038;MM223038;CC(C)C1(N)CC(C)(O)C1;HRSMYHQHSBOHJV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223039;MM223039;CC(C)C1(N)CC(C)(F)C1;OZNPEXGGWTVREC-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223040;MM223040;CC(N)C1(N)CC(C)(F)C1;RCAZOZVIUPQIMG-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223041;MM223041;CC(C)C1(N)CC(F)(F)C1;YNPIOHLAOOKGRH-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223042;MM223042;CN(C)C1(C)CC(C)(C)C1;VDBURKAERFLDAW-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223043;MM223043;CN(C)C1(C)CC(C)(O)C1;XHIPCHSPSHWZPF-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223044;MM223044;CN(C)C1(C)CC(F)(F)C1;JCWFATGEWJSAFE-UHFFFAOYSA-N;149.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223045;MM223045;C=C(C)C1(C)CC(C)(C)C1;AGXRVORSDOYZIX-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223046;MM223046;C=C(C)C1(C)CC(C)(N)C1;ADKMDCKPXPGCSI-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223047;MM223047;C=CC12CC1N(O)C=N2;UCBKTTCSQZBXPG-UHFFFAOYSA-N;124.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223048;MM223048;C=C(C)C1(C)CC(C)(F)C1;ZPZZRSKIPVHVLH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223049;MM223049;C=C(C)C1(C)CC(F)(F)C1;NNSOXIYEOOBSNO-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223050;MM223050;C=C(C)C1(N)CC(C)(C)C1;IWXKLPCKOXBBDD-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223051;MM223051;C=C(C)C1(N)CC(C)(N)C1;CAVQTFRGMLWDPX-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223052;MM223052;C=C(C)C1(N)CC(C)(O)C1;PPFAWIKDXBTZHB-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223053;MM223053;C=C(C)C1(N)CC(C)(F)C1;VWWVCTNSFPJHEG-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223054;MM223054;O=CC12CC1N(O)C=N2;DFBXOUCRXJYCJZ-UHFFFAOYSA-N;126.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223055;MM223055;C=C(C)C1(O)CC(C)(N)C1;APJFHVPDPZGLQG-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223056;MM223056;C=C(C)C1(O)CC(C)(O)C1;QQARBSWTMKLLFT-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223057;MM223057;C=C(C)C1(O)CC(C)(F)C1;RUYOCHKFKBOQLE-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223058;MM223058;C=C(C)C1(O)CC(F)(F)C1;RWQSJDOLVOXFQY-UHFFFAOYSA-N;148.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223059;MM223059;C=C(C)C1(F)CC(C)(C)C1;CBIYWZRUNCIZNI-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223060;MM223060;C=C(C)C1(F)CC(C)(N)C1;HPESSUNBHLFXAY-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223061;MM223061;C=C(C)C1(F)CC(C)(O)C1;UTVHGFDIQGCXOM-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223062;MM223062;C=C(C)C1(F)CC(C)(F)C1;BGLBFOFYEDMTBE-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223063;MM223063;C=C(C)C1(C)CC(C)(C)N1;VLTCABBZDOBFRJ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223064;MM223064;C=C(C)C1(C)CC(C)(C)O1;MNBNKJOBKMWHRA-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223065;MM223065;CC(N)CC(C)CC(C)N;FJELWIBZWBVKGT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223066;MM223066;CC(N)CC(C)CC(C)O;OYVCRXJIHYNGFE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223067;MM223067;CC(N)CC(C)CC(F)F;JGNYBJRWJOYPQN-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223068;MM223068;CCC1C(O)C1N1CC1;TUOOXDWSBVGOEB-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223069;MM223069;CC(C)(O)COCC=NN;SQSGBARPAGGHRU-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223070;MM223070;CC(C)CC(N)CC(C)O;MENSGGVGWSQGPW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223071;MM223071;CC(C)CC(N)CC(F)F;RNOPEHPEUUCZIV-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223072;MM223072;CC(N)CC(N)CC(C)F;CBGBJDSTSXXONY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223073;MM223073;CC(O)CC(N)CC(C)F;QIOCRLQIHBTLJZ-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223074;MM223074;CC(F)CC(N)CC(F)F;SWTWJUYBWKYXSD-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223075;MM223075;CC(C)CC(F)CC(C)N;BKOOJZMUKNHPOR-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223076;MM223076;CC(N)CC(F)CC(C)O;JWIWWXLIHSKXNW-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223077;MM223077;CC(N)CC(F)CC(F)F;AKDBYXYLDPTKJQ-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223078;MM223078;CC(O)CC(F)CC(C)F;GNGPXICQEIDCCM-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223079;MM223079;CC(O)CC(F)CC(F)F;QBTCAUUNDKPBFE-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223080;MM223080;CC(F)CC(F)CC(C)F;OALBCBPFFGEDHQ-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223081;MM223081;CC(F)CC(F)CC(F)F;GQBIHZRKPNVRLL-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223082;MM223082;FC(F)CC(F)CC(F)F;HOQJICVIWMMDQW-UHFFFAOYSA-N;162.1;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223083;MM223083;CC(C)CC(C)NC(C)C;BNJIIZZMXIYZEJ-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223084;MM223084;CC(N)CC(C)NC(C)C;ZMBWTZDOHIVSSY-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223085;MM223085;CC(O)CC(C)NC(C)C;HKPLRJRXDFVTGL-UHFFFAOYSA-N;145.25;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223086;MM223086;CC(C)NC(C)CC(F)F;OEYPUKYOYMZFHU-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223087;MM223087;CC(F)CC(N)CN(C)C;SLINTGZQOQZVKU-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223088;MM223088;CC(CN(C)C)CN(C)C;XYKOFBRSFFWOSJ-UHFFFAOYSA-N;144.26;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223089;MM223089;CC(C)CN(C)CC(C)N;YODRISTVAIKKJS-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223090;MM223090;CC(C)CN(C)CC(C)F;YQBGVMMENDYITP-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223091;MM223091;CC(N)CN(C)CC(C)O;XUZIURMLOMZQJH-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223092;MM223092;CC(N)CN(C)CC(F)F;LHLYSFVWHMVHFT-UHFFFAOYSA-N;152.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223093;MM223093;CC(O)CN(C)CC(C)O;XKQMKMVTDKYWOX-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223094;MM223094;CC(C)CC(C)CC(=N)N;JLZRDWRAXAZGSM-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223095;MM223095;C=C(F)CC(C)CC(C)N;OFDNZNAXOJZYLM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223096;MM223096;CC(O)CC(C)CC(=N)N;CXXPUIROGQFWRF-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223097;MM223097;C=C(C(C)O)N(N)C(C)=O;SOHHZPBDYFUWFH-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223098;MM223098;CC(C)=NNCCC(=O)O;QWAMMVCMCXPHRU-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223099;MM223099;CC(F)CC(C)CC(=N)N;TZIXPRJJOJTBRH-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223100;MM223100;CN(C=O)NC1(C)CC1O;HBEHMEDUYQSERL-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223101;MM223101;CC(CC(=N)N)CC(F)F;QGVHGQXGAHUPOC-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223102;MM223102;C=C(F)CC(N)CC(C)C;GRKODUBBUUBWIK-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223103;MM223103;C=C(C)CC(N)CC(C)O;MTPAGEUMLBGQDP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223104;MM223104;C=C(F)CC(N)CC(F)F;XUOUTTUPBZOPQD-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223105;MM223105;CC(=O)CC(O)CC(C)O;IQRNXLBRONKDBA-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223106;MM223106;N=C(N)CC(O)CC(F)F;GWHWSCFYKFEYPR-UHFFFAOYSA-N;152.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223107;MM223107;C=C(F)CC(O)CC(F)F;BZODXXOEOJMYMM-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223108;MM223108;CC(C)CC(F)CC(=N)N;KHRROUNGOYHRNA-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223109;MM223109;CC(C)CC(F)CC(N)=O;OGCNQEYOMVILAZ-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223110;MM223110;C=C(C)CC(F)CC(C)N;ZLVYMYYUEQVFQF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223111;MM223111;C=C(C)CC(F)CC(C)O;AUBDDINOAHLEAM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223112;MM223112;CC(F)CC(F)CC(=N)N;WBJNSIDPJOBAJO-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223113;MM223113;C=C(C)CC(F)CC(F)F;LSAUJNNPBKOWBD-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223114;MM223114;N=C(N)CC(F)CC(F)F;SALDTKQFGSYPJQ-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223115;MM223115;NC(=O)CC(F)CC(F)F;YXVZVZXIRVNYKE-UHFFFAOYSA-N;155.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223116;MM223116;O=C(O)CC(F)CC(F)F;ZHKQLWRJLNMJNJ-UHFFFAOYSA-N;156.1;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223117;MM223117;CC(=N)NC(C)CC(C)C;LUGLHEVELMVPFC-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223118;MM223118;N#CC(N)=NOCC(N)=O;AHNFVXQRNNVRTI-UHFFFAOYSA-N;142.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223119;MM223119;CC(C)CC(C)NC(=N)N;QJQWBOUOJXZKTD-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223120;MM223120;CC(N)CC(C)NC(=N)N;MPYIATNTUUDMFC-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223121;MM223121;CC(N)CC(C)NC(N)=O;OQVRDUIDAXSXJM-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223122;MM223122;CC(O)CC(C)NC(=N)N;IFHUONDXTYFMLI-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223123;MM223123;CC(O)CC(C)NC(N)=O;HJRPECZCZPARKY-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223124;MM223124;CC(=O)NC(C)CC(F)F;JZXHOZPFYGBMMI-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223125;MM223125;CC(N)CC(C)OC(=N)N;KJJVROSLDCRQQI-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223126;MM223126;CC(O)CC(C)OC(=N)N;NYVKXDPNAVFURI-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223127;MM223127;CC(CC(F)F)OC(=N)N;QTYPRVCXZBGQFH-UHFFFAOYSA-N;152.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223128;MM223128;CC(C)NC(C)CC(N)=O;HNBQBLSYSSUPKT-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223129;MM223129;C=C(F)CC(C)NC(C)C;MSDFJDPBGKWPDG-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223130;MM223130;CC(C)OC(C)CC(N)=O;SYLUCWJLNOWMGP-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223131;MM223131;CC(C)OC(C)OC(=N)N;HQIIFXNTTQAXPW-UHFFFAOYSA-N;146.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223132;MM223132;CC(C)OC(C)OC(N)=O;FURVEZJHUYEREY-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223133;MM223133;CC(=O)CC(C)CN(C)C;PVKRIOIMFDAWEK-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223134;MM223134;CC(CC(N)=O)CN(C)C;ARQKKZIBDXCWBM-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223135;MM223135;C=C(C)CC(O)CN(C)C;SZSQGKUIIILTBU-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223136;MM223136;C=C(C)CN(C)CC(C)C;DVNVTHXPUIEEJA-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223137;MM223137;CC(C)CN(C)CC(=N)N;VXWAFMYHBIFYNS-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223138;MM223138;C=C(C)CN(C)CC(C)N;KHLWUJUDCRKHBK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223139;MM223139;CC(N)CN(C)CC(=N)N;MJXFUNOOAFKIPW-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223140;MM223140;CNN=CCC(F)C(N)=O;DRHYWSDXNRZDMQ-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223141;MM223141;CC(F)CN(C)CC(=N)N;LCNKCGSVSBRZSC-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223142;MM223142;C=C(C)CN(C)CC(F)F;CCCNKRIJXRXHTL-UHFFFAOYSA-N;149.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223143;MM223143;CCNc1cc(C)c(F)[nH]1;GMSPBDPQUMJLOD-UHFFFAOYSA-N;142.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223144;MM223144;CC(=O)NN(C)CC(C)N;KNHVOWLRZTZKFD-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223145;MM223145;CC(N)CN(C)NC(=N)N;VJECMDGGQFYEOI-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223146;MM223146;CC(N)CN(C)NC(N)=O;VVXJLTDOEUZVAM-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223147;MM223147;CC(=N)NN(C)CC(C)O;JYRCAMGXUSSRET-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223148;MM223148;CC(=N)NN(C)CC(C)F;OLAJSCBEKFOHAE-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223149;MM223149;CN(CC(F)F)NC(=N)N;KXZQKFRFTVXJOI-UHFFFAOYSA-N;152.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223150;MM223150;CN(CC(F)F)NC(N)=O;SZBLVXQGUYMSRO-UHFFFAOYSA-N;153.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223151;MM223151;C=C(C)CC(C)CC(=N)N;KSLJIOPWSTUSEZ-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223152;MM223152;C=CC(C=NN)(CO)CO;JEYHUNSCSJCIJK-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223153;MM223153;CC(=O)CC(C)CC(=N)N;SVJXBNZLEGXLKD-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223154;MM223154;NN=C(C=C(N)CO)NO;XSKBDLZVIGNTLN-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223155;MM223155;CC(CC(=N)N)CC(N)=O;XIQASGKXFSLZIU-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223156;MM223156;CNC(=O)N(N)C(=N)OC;PJULNWXAPIIMBN-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223157;MM223157;CN=c1[nH]nc(N)o1;ICGOOIRCUNPQNC-UHFFFAOYSA-N;114.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223158;MM223158;C=C(C#N)C(=N)N(O)CC;HBMLJEHKYUGVPV-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223159;MM223159;C=C(C)CC(N)CC(=N)N;DIVFNSJRBKRYQC-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223160;MM223160;C=C(C)CC(O)CC(=N)N;GEDLNAUZYRHBCD-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223161;MM223161;CC(=O)CC(O)CC(=N)N;YCDDTIJCCMGXEO-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223162;MM223162;CC(=O)CC(O)CC(N)=O;RLIHLBZKVMTVOR-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223163;MM223163;C=C(F)CC(O)CC(=N)N;AMEPMKWBKOYZIM-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223164;MM223164;CC(=O)NC(C)CC(=N)N;CFJPKYRFVCLGQM-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223165;MM223165;CNc1noc(=NO)[nH]1;WAQMKSHHHKIEEN-UHFFFAOYSA-N;130.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223166;MM223166;C=C(F)CC(C)NC(N)=O;LSQBOADVZWTSTE-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223167;MM223167;C=C(C)CC(C)OC(N)=O;VQAREHHXOXULRA-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223168;MM223168;CC(=O)CC(C)OC(N)=O;AKHXLDNJFBWDEW-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223169;MM223169;C=C(C)OC(C)CC(=N)N;FYFNQDZQSJNIDO-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223170;MM223170;CC(=O)OC(C)CC(=N)N;WZJQRGIHEUAJDW-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223171;MM223171;CC(CC(=N)N)OC(N)=O;BEUONVGRJBVILG-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223172;MM223172;C=C(C)OC(C)CC(N)=O;WVZCHLZEAKMKDR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223173;MM223173;CC(CC(N)=O)OC(N)=O;PZQMLTYFRNTXMF-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223174;MM223174;CC(CC(=O)O)OC(N)=O;ZBNPBCHSLJONAE-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223175;MM223175;C=C(F)CC(C)OC(N)=O;VMJQOEZSTJBJER-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223176;MM223176;C=C(C)OC(C)OC(=N)N;USLQQYDKSKJXNG-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223177;MM223177;CC(=O)OC(C)OC(N)=O;VCYBBLXSOSDGKQ-UHFFFAOYSA-N;147.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223178;MM223178;CC(OC(N)=O)OC(N)=O;UVULFLITTDXBQR-UHFFFAOYSA-N;148.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223179;MM223179;C=C(C)CN(C)CC(=N)N;AWHFVHBUFMMWDQ-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223180;MM223180;CC(=O)CN(C)CC(=N)N;RQCJWQVUQLBHAR-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223181;MM223181;CNC(=O)N(C)OC=NN;HPVATNHOPWUSIW-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223182;MM223182;CC(=O)CN(C)NC(C)=O;HQKYFPYHJCPDFC-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223183;MM223183;CN(CC(=N)N)NC(=N)N;FRNWXLDRRVDEIB-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223184;MM223184;CN(CC(=N)N)NC(N)=O;MOBDKGXVDPUXIG-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223185;MM223185;Nn1ccc(=O)nc1O;IILMINFWXULDNN-UHFFFAOYSA-N;127.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223186;MM223186;C=C(F)CN(C)NC(N)=O;XZOKNESUXCVOHU-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223187;MM223187;C=C(CC(C)C)CC(F)F;ZNZGVYPVISVRBJ-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223188;MM223188;C=C(CC(C)N)CC(C)O;IUEHFDCHZBRWKX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223189;MM223189;C=C(CC(C)N)CC(C)F;JNUAGLAZHRWHCC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223190;MM223190;C=C(CC(C)N)CC(F)F;WUNWWDIWLPTTFR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223191;MM223191;CCN(O)C(C)=NC=NC;NOTCGZCDXWREKI-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223192;MM223192;C=NNC(CO)C(=O)CF;KZUMPLNNXDHVHT-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223193;MM223193;CN=CN(C=N)C(=O)CF;CRJMMZXSZYDLRD-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223194;MM223194;C=C(CC(C)F)CC(C)F;VGVWQVGDKLNPPN-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223195;MM223195;CC(C)CC(=O)CC(C)O;RSGNVLNLUAGLFI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223196;MM223196;CC(O)CC(=O)CC(F)F;ODYVBQUQOVMGGW-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223197;MM223197;CC(F)CC(=O)CC(C)F;IBCGWNQRNDYORY-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223198;MM223198;CC(C)CC(=N)NC(C)C;JVGSUOBNIBZUQB-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223199;MM223199;CC(N)CC(=O)NC(C)C;UNSMDIXGGXNUNN-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223200;MM223200;CC(O)CC(=O)OC(C)C;OHQCTLBHQBPXLU-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223201;MM223201;CC(C)NC(=N)NC(C)C;MTZUNDSWFIDAOO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223202;MM223202;CC(C)NC(=N)OC(C)C;FIKYXMBFJKQMMR-UHFFFAOYSA-N;144.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223203;MM223203;CC(C)NC(=O)OC(C)C;MVUUAIHDSOOJLK-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223204;MM223204;CC(C)OC(=O)OC(C)C;JMPVESVJOFYWTB-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223205;MM223205;C=C(CC(C)C)CN(C)C;PHLCKXQTRVFYPZ-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223206;MM223206;CC(F)CC(=N)NN(C)C;HKPDEZZWTKLZEN-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223207;MM223207;CC(F)CC(=O)NN(C)C;FTOJQXOWIGOJMP-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223208;MM223208;CC(C)NC(=N)CN(C)C;JWBQSYCUSLLIAQ-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223209;MM223209;CC(C)NC(=N)NN(C)C;JNFNFNAPRFGXMZ-UHFFFAOYSA-N;144.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223210;MM223210;CC(C)OC(=O)NN(C)C;BQVFVUBOZSYFSB-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223211;MM223211;C=C(CC(C)=O)CC(C)C;JHOLUWPIESUBHI-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223212;MM223212;C=C(CC(=N)N)CC(C)C;PHLJPNMHSLDQGM-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223213;MM223213;CNC(=O)C(=CNO)N=N;XWJCJSZEVPDSEW-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223214;MM223214;C=C(CC(=O)O)CC(C)C;YSKNMQIWBNRHTC-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223215;MM223215;C=C(CC(=N)N)CC(C)N;AYJIMHQICZQPEV-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223216;MM223216;C=C(CC(N)=O)CC(C)N;HNYDKXMNGGEJJN-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223217;MM223217;C=C(CC(=N)N)CC(C)O;FXAJKHWMQSKGOD-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223218;MM223218;C=C(C)CC(=C)CC(C)F;VPFBXLOLSYCOCG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223219;MM223219;C=C(CC(C)=O)CC(C)F;ZNVOCASEVUAHSJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223220;MM223220;C=C(CC(=O)O)CC(C)F;PORRQNZGHKAAGM-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223221;MM223221;C=C(C)CC(=C)CC(F)F;RPKANICDZNHZDR-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223222;MM223222;C=C(CC(C)=O)CC(F)F;ZIASPHWWEHQBCL-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223223;MM223223;C=C(CC(=N)N)CC(F)F;GRVKPPLVSINXGQ-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223224;MM223224;C=C(C)CC(=O)CC(C)C;UGCUIZGVVHHZJB-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223225;MM223225;C=C(C)CC(=O)CC(C)F;DYUOAEQQTXQFRR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223226;MM223226;C=C(C)CC(=O)CC(F)F;WRPUZVLPNWZAEJ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223227;MM223227;C=C(CC(C)C)NC(C)=O;WKDDPCLJOYSULD-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223228;MM223228;C=C(CC(C)N)NC(C)=N;UCNOMLURKIMOSL-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223229;MM223229;C=C(CC(C)N)NC(C)=O;SWLBYQRBXPIITG-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223230;MM223230;C=C(CC(C)N)NC(=N)N;NRYIOKRIYZPQKV-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223231;MM223231;C=C(CC(C)N)NC(N)=O;NHGAUWQRDFBWCD-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223232;MM223232;C=C(CC(C)F)NC(C)=O;FSHBSMSZWRTRBZ-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223233;MM223233;C=C(CC(C)F)NC(=N)N;DBUDAXSIKOBPGM-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223234;MM223234;C=C(CC(F)F)NC(C)=N;WQXPNODHYNWBGE-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223235;MM223235;C=C(C)NC(=N)CC(C)C;VTQBDDGMCHCUOX-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223236;MM223236;CC(=N)NC(=N)CC(C)C;NRGPIOAKJAVICE-UHFFFAOYSA-N;141.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223237;MM223237;CNC(=O)C(=CNN)N=O;VPBFNKQQEDUOCM-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223238;MM223238;CC(C)CC(=N)NC(=N)N;IPIVVZFFWZDYPU-UHFFFAOYSA-N;142.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223239;MM223239;C=C(C)NC(=N)CC(C)N;XFOCPCSAWLMYEI-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223240;MM223240;C=CC#CC(=NCC)NO;QJWDPBCUQWRNMV-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223241;MM223241;C=C(C)NC(=N)CC(F)F;NQZGISAMVSGDDZ-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223242;MM223242;CC(=O)NC(=N)CC(F)F;DZAGMKDKKFAIKO-UHFFFAOYSA-N;150.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223243;MM223243;C=C(C)NC(=O)CC(C)C;CKEJUIMUAZBETM-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223244;MM223244;C=C(F)C(CO)N=CNO;OLLKUSOLZSJAQF-UHFFFAOYSA-N;148.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223245;MM223245;CC(=O)NC(=O)CC(C)C;VGIULTIKBOAOCG-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223246;MM223246;C=C(C)NC(=O)CC(C)N;XHMSJJFFMQQOHD-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223247;MM223247;CC(F)CC(=O)NC(N)=O;RUYRBXCVQFJRKZ-UHFFFAOYSA-N;148.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223248;MM223248;C=NN(C=NOC)C(N)=O;HMYYHJDWGAFRNG-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223249;MM223249;C=C(C)OC(=O)CC(F)F;RUDCNKCGOJPEIO-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223250;MM223250;C=C(C)CC(=N)NC(C)C;HEIDUBJTDKBQKW-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223251;MM223251;C=C(C)CC(=O)NC(C)C;WMAATIWELZHLGL-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223252;MM223252;C=C(F)CC(=O)NC(C)C;ZAXCPHYHFMIZRV-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223253;MM223253;C=C(C)NC(=N)NC(C)C;PYGCDAHTJNEOID-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223254;MM223254;CC(=O)NC(=N)NC(C)C;CENRJWCFUSPOOQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223255;MM223255;C=C(CC(C)=O)OC(C)C;HKVOQURMRHVZIG-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223256;MM223256;CC(=O)CC(=O)OC(C)C;GVIIRWAJDFKJMJ-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223257;MM223257;CC(C)OC(=O)CC(=N)N;ZVWPDJQEKLAOHT-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223258;MM223258;C=C(NC(C)=N)OC(C)C;GZZBKSVCIQEQOU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223259;MM223259;C=C(NC(C)=O)OC(C)C;QAQACYWHKMHUTA-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223260;MM223260;C=C(C)NC(=N)OC(C)C;YYVRDFOCJBTYOU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223261;MM223261;CC(=O)NC(=N)OC(C)C;JHSXKRYBIVUIAF-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223262;MM223262;C=C(C)NC(=O)OC(C)C;YCDGKUQYESQICV-UHFFFAOYSA-N;143.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223263;MM223263;C=C(C)OC(=O)OC(C)C;WOSFSKFPZYCIJN-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223264;MM223264;C=C(C)CC(=C)CN(C)C;OBPLRFYOCMXYIK-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223265;MM223265;CN(C)CC(=O)NC(=N)N;WUWSSNMATXNPNU-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223266;MM223266;C=C(C)CC(=N)NN(C)C;NCIMLIZDHSJEOI-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223267;MM223267;C=C(F)CC(=N)NN(C)C;QFOAERKIGLOZEE-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223268;MM223268;C=NN=CN(N=C)C(N)=O;VLRVFNFLJOEZNB-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223269;MM223269;CN(C)NC(=N)NC(=N)N;KHYCSJZWGQWLSI-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223270;MM223270;CN(C)NC(=N)NC(N)=O;GYQJBVCVROXCQG-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223271;MM223271;CC(=O)NC(=O)NN(C)C;MMFFNROGJNONMB-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223272;MM223272;CN(C)NC(=O)NC(=N)N;OCXLNIMPQJQBIY-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223273;MM223273;C=C(C)CC(=C)CC(=C)C;QLODLBOMLYSGNY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223274;MM223274;C=C(C)CC(=C)CC(=N)N;DGSFMYPYPYQZLM-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223275;MM223275;N=CNN=C(CF)C(N)=O;PHIQCDKGDXCKSA-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223276;MM223276;C=C(C)CC(=C)CC(=O)O;MGYKEYMQSAKVJW-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223277;MM223277;C=C(CC(=N)N)CC(N)=O;ASKOXQNJSMUJOK-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223278;MM223278;C=C(F)CC(=C)CC(=N)N;IIONYRWDBITMHQ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223279;MM223279;C=C(CC(N)=O)CC(N)=O;ZYOIUMSMDGWKCY-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223280;MM223280;C=C(F)CC(=C)CC(N)=O;QVPWZYGTITUBBU-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223281;MM223281;C=C(C)CC(=O)CC(=N)N;IIKQIMOCLDDYPI-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223282;MM223282;C=C(C)CC(=O)CC(N)=O;XZUXPTNPBZDPAL-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223283;MM223283;C=C(C)CC(=O)CC(=C)F;VFONGKHEVURRFX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223284;MM223284;C=C(F)CC(=O)CC(=N)N;ZOERHDDTKIAUEP-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223285;MM223285;C=C(C)CC(=C)NC(C)=N;IFUHDCACXTZSLF-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223286;MM223286;C=C(C)CC(=C)NC(C)=O;LVFMMHLBELPSKO-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223287;MM223287;C=C(C)CC(=C)NC(N)=O;LNFKEJMLSVWNTE-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223288;MM223288;C=C(CC(C)=O)NC(=N)N;JFQCBDWLGUPPIZ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223289;MM223289;C=C(CC(=N)N)NC(C)=N;UNSSUZIMNGXXRE-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223290;MM223290;Cn1nc(O)cnc1=O;QWMZYVCQGBMZGX-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223291;MM223291;C=C(C)CC(=N)NC(=C)C;QOSDZIMXOUHQGI-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223292;MM223292;C=C(C)CC(=N)NC(=N)N;DAGNLMQFYOXEJU-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223293;MM223293;N=C(N)CC(=N)NC(=N)N;HGZSSGGCKRWZSW-UHFFFAOYSA-N;142.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223294;MM223294;N=C(N)CC(=N)NC(N)=O;VPWHYTAGNVEUAW-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223295;MM223295;N=C(N)N=C(N)CC(N)=O;WPNIXTHEXZQIKD-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223296;MM223296;O=CC(CO)NN=CCO;YBARSIZWWBVPJL-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223297;MM223297;C=C(C)CC(=O)NC(=N)N;PIWXSGCTOCHIEY-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223298;MM223298;CC(=O)CC(=O)NC(C)=O;IZOZBUJRWPPEBT-UHFFFAOYSA-N;143.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223299;MM223299;NC(=O)CC(=O)NC(N)=O;IBKWHLIQMRIQQV-UHFFFAOYSA-N;145.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223300;MM223300;Cn1[nH]cc(F)c1=O;UKQXWRMQQZCRLQ-UHFFFAOYSA-N;116.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223301;MM223301;C=C(F)CC(=O)NC(=N)N;BCLXHESXUUCEMD-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223302;MM223302;N=C(N)CC(=O)OC(=N)N;BLQSIEKIHLYTER-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223303;MM223303;C=C(NC(C)=N)NC(C)=N;ZZRRDGVBVNBDPC-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223304;MM223304;C=C(NC(C)=N)NC(N)=O;DZTRDKBUYYMKOH-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223305;MM223305;C=C(NC(C)=O)NC(C)=O;PSZHHAHVDIBTCX-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223306;MM223306;C=C(NC(=N)N)NC(C)=O;RVOKNRAJCKDCLX-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223307;MM223307;C=C(C)NC(=N)NC(C)=N;SZTJXCDVDHBOSN-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223308;MM223308;C=C(C)NC(=N)NC(N)=O;YDFDGHUPMOOAFK-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223309;MM223309;N=C(N)NC(=N)NC(=N)N;HVEDNMJLGGAPFQ-UHFFFAOYSA-N;143.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223310;MM223310;N=C(N)NC(=N)NC(N)=O;BRNBNKRENZZHRZ-UHFFFAOYSA-N;144.14;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223311;MM223311;C#CC(=NNC=NN)NO;CXBGPZSLHYATAH-UHFFFAOYSA-N;141.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223312;MM223312;C=C(C)NC(=O)NC(C)=O;NVDJWVRTTOSGED-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223313;MM223313;C=C(C)NC(=O)NC(=N)N;JTZCOTDUGHMJEK-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223314;MM223314;C=C(C)NC(=O)NC(N)=O;DZWMGYKPDPNBCJ-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223315;MM223315;C=C1CC(=NN)CCC1O;QPIGMQAEQFRKDJ-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223316;MM223316;CC(=O)NC(=O)NC(=N)N;GCKAKHBINGBKMM-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223317;MM223317;CC(=O)NC(=O)NC(N)=O;WONSNAWCCUUEST-UHFFFAOYSA-N;145.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223318;MM223318;N=C(N)NC(=O)NC(=N)N;ISJOITFNXDRNKS-UHFFFAOYSA-N;144.14;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223319;MM223319;C=C(C)OC(=C)NC(N)=O;PEICQRULJKKRRO-UHFFFAOYSA-N;142.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223320;MM223320;CC(=O)NC(=N)OC(N)=O;AANJNOSWVXMLEV-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223321;MM223321;CC(=O)OC(=N)NC(=N)N;IIBHQJIQYXLWSB-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223322;MM223322;CC(=O)OC(=N)NC(N)=O;UDHHBGQQQZHGNL-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223323;MM223323;C=C(C)OC(=O)OC(=C)C;YLTHLODHVMOAQU-UHFFFAOYSA-N;142.15;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223324;MM223324;CN=C1CCN(O)C(C)=N1;RXBHZVSIELDYGN-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223325;MM223325;CC(C=C(F)F)CC(F)F;LWORGOLEMYNNGN-UHFFFAOYSA-N;156.12;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223326;MM223326;CC(F)=CC(N)CC(C)C;DPQVQHGQXPZFPF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223327;MM223327;CC(C)CC(N)C=C(F)F;QFFYHJXVRZIHGJ-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223328;MM223328;CC(F)=CC(N)CC(C)N;KMECWUGZHZOAJV-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223329;MM223329;CC(N)CC(N)C=C(F)F;GRPKCKRKEISUSH-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223330;MM223330;CC(C)=CC(N)CC(C)O;QZIRYODEGHJIGR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223331;MM223331;CC(O)CC(N)C=C(F)F;HIAVKHFVVDHHRS-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223332;MM223332;CC(F)=CC(N)CC(F)F;SXULHBGXQINQOJ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223333;MM223333;CC=CC1=NC(=NN)CN1;JYWYSRYCYXPNSI-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223334;MM223334;CC(N)CC(O)C=C(F)F;GCTFKMSQCXZQQJ-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223335;MM223335;CC(F)=CC(O)CC(C)O;BOBRKHMKUAIJQD-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223336;MM223336;CC(F)=CC(O)CC(F)F;LOZXPEFIZVWEOX-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223337;MM223337;CC(F)=CC(F)CC(C)N;HBQALILZMKRUOP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223338;MM223338;CC(C)=CC(F)CC(C)O;KJMJHDRVPOVJMB-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223339;MM223339;CC(C)=CC(F)CC(F)F;RCGCTKQBJBCZCF-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223340;MM223340;CC(C)=CC(C)NC(C)C;NGBGHQMUFOIKLO-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223341;MM223341;CC(F)=CC(C)NC(C)C;IHFSGGABSMHXEK-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223342;MM223342;CC(C)NC(C)C=C(F)F;VHKUSHXPZBLDSB-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223343;MM223343;CC(C)=CC(O)CN(C)C;KOXQEILGSNMUPJ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223344;MM223344;CC(C)=NN(C)CC(C)C;CMFRPIFTRSFZCS-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223345;MM223345;CC(C)=NN(C)CC(C)F;HOVCIGKNIPCPED-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223346;MM223346;CC(C)=CC(C)CC(=N)N;PJINSNXZYMMEOV-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223347;MM223347;CC(F)=CC(C)CC(=N)N;XJDULKWZROTPTR-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223348;MM223348;C=CCn1cc(CO)cn1;HMHSNMIMDKKDMC-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223349;MM223349;CCCc1cc(NC)[nH]n1;GXEYKDGZANNIJM-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223350;MM223350;CC(C=C(F)F)CC(N)=O;SMUHNZYKMJIQTL-UHFFFAOYSA-N;149.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223351;MM223351;CC(C=C(F)F)CC(=O)O;WVTGJMHKLAEDAT-UHFFFAOYSA-N;150.12;1.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223352;MM223352;CC(C)=CC(N)CC(=N)N;NVDNKMSJXQIWJU-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223353;MM223353;C=C(F)CC(N)C=C(C)F;BJKQAMZXYPJFJW-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223354;MM223354;C=C(F)CC(N)C=C(F)F;IAPAMDQGXRTWLP-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223355;MM223355;CC(F)=CC(O)CC(=N)N;LNBRBESNJKHNID-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223356;MM223356;CC(C)=CC(F)CC(=N)N;JBTQINANCBHHKG-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223357;MM223357;CC(F)=CC(F)CC(=N)N;MNNKVTIMDAYLOT-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223358;MM223358;CC(F)=CC(F)CC(N)=O;MICQCRRKOKAVEX-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223359;MM223359;CC(C)=CC(F)CC(=O)O;NNWMBGFKQYVHLP-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223360;MM223360;CC(=N)NC(C)C=C(C)F;ZPDZJIGWXNPXAH-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223361;MM223361;CC(=N)NC(C)C=C(F)F;NDUQEROHUALVNN-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223362;MM223362;C=Cc1n[nH]c(CO)c1N;RKRPEXKTUUJHRQ-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223363;MM223363;CC(=O)NC(C)C=C(C)F;OQRWIWUCORJJLH-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223364;MM223364;CC(=O)NC(C)C=C(F)F;XBGIKYRITOHUKI-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223365;MM223365;CC(F)=CC(C)NC(N)=O;JDQFTWFHACOGRB-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223366;MM223366;CC(C=C(F)F)NC(N)=O;DIVALFNPCSMQEP-UHFFFAOYSA-N;150.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223367;MM223367;CC(C)=CC(C)OC(=N)N;YWKPLYLDFFLVEM-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223368;MM223368;CC(C=C(F)F)OC(=N)N;UUGDDRKRNKHTPA-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223369;MM223369;CC(C)=CC(C)OC(N)=O;AOIHBYOTMGQCOS-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223370;MM223370;CC(F)=CC(C)OC(N)=O;JEIQQRIBYRQVCS-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223371;MM223371;CC(C=C(F)F)OC(N)=O;FXTOMQYICBZYKB-UHFFFAOYSA-N;151.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223372;MM223372;C=C(C)CN(C)N=C(C)C;COLAHJODIPSYLF-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223373;MM223373;CC1C(CC#N)N=CN1O;WXBOIMBZNKGLCN-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223374;MM223374;CN=c1[nH]c(=O)n(O)o1;DNYPSQNXMBTKDZ-UHFFFAOYSA-N;131.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223375;MM223375;C=C(C=C(C)C)CC(F)F;PDQMDDPWIARUIR-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223376;MM223376;C=C(C=C(C)F)CC(F)F;UYZLXWKHKSVTJV-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223377;MM223377;CC(C)=CC(=O)CC(C)C;BHVIOAZXXVWBGQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223378;MM223378;CC(N)=CC(=O)CC(C)C;HUTKQWXEXNKQEU-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223379;MM223379;CC(C)CC(=O)C=C(N)N;BLWQXONMAVXOBW-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223380;MM223380;CC(O)CC(=O)C=C(F)F;LMPWVPQJADEMKL-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223381;MM223381;CC(C)=CC(=O)CC(C)F;NBVHPHSHQWYKLD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223382;MM223382;CC#CC1N=CN(O)C1C;KOKOFCHUPSYQGP-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223383;MM223383;CC(N)=CC(=O)CC(F)F;YKVOSPDJIXWJOG-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223384;MM223384;CC1C(O)C1N1CC1;ZNXCQPUOUBTXEB-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223385;MM223385;CC(C)=CC(=N)NC(C)C;JDUMTSIQRSQVMI-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223386;MM223386;C=CC(C)N(O)C=NN;WUZHVEWBUDKUSM-UHFFFAOYSA-N;129.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223387;MM223387;CC(F)=CC(=O)NC(C)C;VTDLYRNVWIGVRL-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223388;MM223388;CC(C)NC(=O)C=C(F)F;BPYHNZRBWBJIHQ-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223389;MM223389;CC(N)=CC(=O)OC(C)C;YCKAGGHNUHZKCL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223390;MM223390;CC(F)=CC(=O)OC(C)C;YLIYFTVQEAEHQU-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223391;MM223391;CC(C)=CC(=N)NN(C)C;QTIWPTWHLVPOAI-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223392;MM223392;CC(F)=CC(=N)NN(C)C;LMYXZKOVKKKRBQ-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223393;MM223393;CN(C)NC(=O)C=C(F)F;KLSYGMUDGZJKPU-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223394;MM223394;C=C(C=C(C)C)CC(=N)N;AOSMXTAKXOLZGV-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223395;MM223395;C=C(C=C(C)F)CC(=N)N;KRJDRCOAITTWEK-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223396;MM223396;C=C(C=C(C)C)CC(N)=O;GZTGIGKFMAOURL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223397;MM223397;C=C(C=C(C)F)CC(N)=O;LCGGZZYOXDRIAB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223398;MM223398;C=C(C)CC(=O)C=C(C)C;MQSRGPLGKUWDAY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223399;MM223399;C=C(C)CC(=O)C=C(C)N;GVLQBPVXWSPNBC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223400;MM223400;C=C(C)CC(=O)C=C(C)F;RBBBGWHAEDQBED-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223401;MM223401;Cc1c(CO)cnn1C;ZLKFGFIBRVAIDL-UHFFFAOYSA-N;126.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223402;MM223402;CC(C)=CC(=O)CC(=N)N;IRJXBQWFFLUWFK-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223403;MM223403;N=C(N)CC(=O)C=C(F)F;BAEDSEULQHUVAN-UHFFFAOYSA-N;148.11;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223404;MM223404;CC(C)=CC(=O)CC(N)=O;NGGIFJSATWJTJE-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223405;MM223405;CC(F)=CC(=O)CC(N)=O;JNDSSNOSQIKAGM-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223406;MM223406;C=C(F)CC(=O)C=C(C)C;JOGVWBYTZKQKLI-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223407;MM223407;C=C(C=C(C)C)NC(N)=O;VPDYMIOWSFVPPE-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223408;MM223408;C=C(C)NC(=N)C=C(C)N;KKOOHHRCFQJNMY-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223409;MM223409;N=C(N)NC(=N)C=C(N)N;SMYBFENVWCBGNI-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223410;MM223410;C=CC#Cc1cn[nH]c1;MSISOLXPNPCEEC-UHFFFAOYSA-N;118.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223411;MM223411;CC1C(O)C1N1CC1C;NIXUEWVNJJIOPU-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223412;MM223412;CC(=O)NC(=O)C=C(C)F;ZLXLHWRZFIMYQH-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223413;MM223413;CC(N)=CC(=O)NC(=N)N;VUYBXSVBASHXHU-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223414;MM223414;CC(F)=CC(=O)NC(=N)N;FLZQHTFONRQHDA-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223415;MM223415;N=C(N)NC(=O)C=C(N)N;UPWCPSPFRMKVQP-UHFFFAOYSA-N;143.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223416;MM223416;NC(=O)NC(=O)C=C(N)N;VCCCFZRCDVKNHO-UHFFFAOYSA-N;144.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223417;MM223417;C=C(C)OC(=O)C=C(C)N;FGLYWLIAKMHSBD-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223418;MM223418;C=C(C)OC(=O)C=C(N)N;ZWYDFUZQJJRNNO-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223419;MM223419;CC(=CC(F)F)CC(C)C;UZQDAYWUQZBSBI-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223420;MM223420;CC(=CC(C)O)CC(C)N;XVCIIPZTCPSTGO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223421;MM223421;CC(=CC(C)F)CC(C)N;PUTJIMZPJKINRE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223422;MM223422;CC(=CC(F)F)CC(C)N;FBWPQTFAXDGABT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223423;MM223423;CC(=CC(C)N)CC(C)O;GKXKFRIWAMLQFC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223424;MM223424;CC=C(C=NN)C(C)(C)O;REKMKEVERZBCIS-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223425;MM223425;C#CCC(C)(O)CC=NN;GXWCFPPKXVLMPI-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223426;MM223426;CC(=CC(C)N)CC(C)F;BHLROLXGHZPISH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223427;MM223427;C=NOC(=O)COC(N)=O;KZRFUQOXPIQYFZ-UHFFFAOYSA-N;146.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223428;MM223428;CC(=CC(C)F)CC(C)F;NFEWAQOSAUTSQU-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223429;MM223429;CC(=CC(F)F)CC(C)F;KDUOSXCZWUMJMH-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223430;MM223430;CC(=CC(C)C)CC(F)F;MVVGYKJOXIREPV-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223431;MM223431;CC(=CC(C)N)CC(F)F;DDZMVGIQBNICNL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223432;MM223432;C=C(C(C)O)N(C=N)C=O;NBMGLFQCPQHMFU-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223433;MM223433;CC(=CC(C)F)CC(F)F;LFZCCXLUFMSNFJ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223434;MM223434;CC(=CC(F)F)CC(F)F;ASOQCQJMCJKBJK-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223435;MM223435;CC(N)C=C(F)CC(C)C;WTNJMKZBAYTVSZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223436;MM223436;CC(C)C=C(F)CC(C)N;NWVLFTDEQBBFIY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223437;MM223437;CC(F)C=C(F)CC(C)N;BNUUJPXOXRMSRE-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223438;MM223438;CC(C)C=C(F)CC(C)F;RCEJQXIVHMQFQF-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223439;MM223439;CC(C)C=C(F)CC(F)F;KSXHHNCRGZRYJB-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223440;MM223440;CC(N)C=C(F)CC(F)F;PVCKTVZLSOOUCE-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223441;MM223441;CC(O)C=C(F)CC(F)F;CNHMKYPGSCJIFK-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223442;MM223442;CC(=NC(C)C)NC(C)C;SYCZCVFOEPCWBF-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223443;MM223443;CC(CC(C)F)=NN(C)C;VBORKICBKSDEEO-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223444;MM223444;CC(=CC(C)C)CN(C)C;GMQQSRBXWRUHAJ-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223445;MM223445;CC(=CC(C)F)CN(C)C;MCOAZEAGTCBHPQ-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223446;MM223446;CC(N)C=C(F)CN(C)C;CMNVLJUESZORFO-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223447;MM223447;CC(=O)C=C(C)CC(C)C;XOTICVNHWPZNJX-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223448;MM223448;CC(=CC(=N)N)CC(C)C;KKCDUGVBNFMNDB-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223449;MM223449;CN=CN=CN(O)C(C)C;BOPGAVSGKOKTBO-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223450;MM223450;CC(=CC(=O)O)CC(C)C;LIVZKFUGJCQGLW-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223451;MM223451;CC(=CC(=N)N)CC(C)N;FYQZLOXDLQBHTR-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223452;MM223452;CC(=CC(N)=O)CC(C)N;FMTCGARZTSLNGK-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223453;MM223453;CC(=NOCCO)N(C)O;NTXBTXIWPXANQG-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223454;MM223454;CC(CO)ONC(=N)C#N;GHUUNEJWCMKSJO-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223455;MM223455;Nc1c(F)noc1O;SUDIGKAFTJPSIZ-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223456;MM223456;CC(=CC(=O)O)CC(C)F;UKRIBEFKLUNMQL-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223457;MM223457;C=C(C)C=C(C)CC(F)F;ZYJJCWDVHMISPQ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223458;MM223458;CC(=CC(=O)O)CC(F)F;RHAMUSVFKPOIQW-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223459;MM223459;CC(=O)C=C(N)CC(C)C;ZEIKORIYQGEMMD-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223460;MM223460;CC(=O)C=C(N)CC(C)O;BAYYXSZPHPSCDV-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223461;MM223461;CC(=O)C=C(N)CC(C)F;QCRAQYJMJYJCMR-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223462;MM223462;CC(F)CC(N)=CC(=N)N;QNTJWBMONMHMJK-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223463;MM223463;CC(=O)C=C(N)CC(F)F;VVHUMHADSYXGHL-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223464;MM223464;CC(C)CC(F)=CC(=N)N;AWCRQMNSBZJABJ-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223465;MM223465;CC(O)CC(F)=CC(=N)N;YGCFJLKLNFPLQM-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223466;MM223466;CC(O)CC(F)=CC(N)=O;QODSTQPVUJGGAJ-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223467;MM223467;CC(=O)C=C(F)CC(C)F;ZYWFSLOMTPCWRB-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223468;MM223468;CC(F)CC(F)=CC(=N)N;HDPIOUDEAKTZGU-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223469;MM223469;CC(=O)C=C(C)NC(C)C;SKKSWNSECDCYOD-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223470;MM223470;CC(=CC(=N)N)NC(C)C;TYTSYJOACVJCKS-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223471;MM223471;N#CC1CC(C=O)(CO)N1;NCALNNXJGOGVNI-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223472;MM223472;CC(=N)NC(C)=NC(C)C;POHREGLFVIZLPK-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223473;MM223473;CC(=O)C=C(C)OC(C)C;GHDUNCWYKYHSHJ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223474;MM223474;CC(=O)C=C(N)OC(C)C;ONZRSKXXJBFFOZ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223475;MM223475;C=C(C)C=C(C)CN(C)C;RMJZEAGFZCQNDK-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223476;MM223476;C=C(F)C=C(C)CN(C)C;VFEWITDHUVWRGM-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223477;MM223477;CC(=N)NC(C)=NN(C)C;PXGXDPVIRMSTQM-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223478;MM223478;C=C(C)CC(C)=CC(C)N;DDORAAOENMVMEW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223479;MM223479;CC(=O)CC(C)=CC(C)C;KJQGXOUNONVSIL-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223480;MM223480;CC(=O)CC(C)=CC(C)F;CGRUMUANFNJYKA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223481;MM223481;CC(=CC(C)C)CC(=N)N;TZWZAUQJSADHOI-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223482;MM223482;CC(=CC(C)N)CC(=N)N;DVZYMFUOYJROEL-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223483;MM223483;CC(=CC(C)F)CC(=N)N;LMEAQBSGILMDGS-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223484;MM223484;C=C(CO)N(N)C(=O)NC;NQWIWSXLOXEEQR-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223485;MM223485;CC(=CC(C)N)CC(N)=O;AQQZYYBZYDWKRQ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223486;MM223486;CCC(O)C(C)NCC#N;NJBQGTITFVCAGT-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223487;MM223487;CC(=CC(F)F)CC(N)=O;LNCKOUHVQWTBBX-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223488;MM223488;CC(=CC(C)C)CC(=O)O;UFEYGFDVLMTBMI-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223489;MM223489;CC(=CC(C)F)CC(=O)O;AJSHKGMRMPVDLQ-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223490;MM223490;CC(C)C=C(F)CC(=N)N;ZSFQQQOMQNVAEE-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223491;MM223491;CC(O)C=C(F)CC(=N)N;HQNCOFGPIMTCTD-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223492;MM223492;CC(F)C=C(F)CC(=N)N;OALDHWWTSAZWMH-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223493;MM223493;CC(O)C=C(F)CC(N)=O;UUDILDGRPGCFJG-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223494;MM223494;C=C(F)CC(F)=CC(C)N;OCMZNVBLUXMEJM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223495;MM223495;CC(=N)NC(C)=CC(C)C;PJJRPBYCGUTDEI-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223496;MM223496;CC(=O)NC(C)=CC(C)C;PNOLVVWPTYMFJB-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223497;MM223497;CC(=O)NC(C)=CC(C)F;XYRVYAJDROIHHH-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223498;MM223498;CC(=CC(C)C)NC(=N)N;ZRVQVRKYPRNIHR-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223499;MM223499;CC(=CC(C)N)NC(=N)N;RIQLGOWWMGBYON-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223500;MM223500;CC(=CC(C)O)NC(=N)N;XJOUQFUHEBMJNW-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223501;MM223501;CC(=CC(C)F)NC(=N)N;VIPJHZLCTCTMFV-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223502;MM223502;CC(=CC(C)O)NC(N)=O;BQAWHJYVBXYCDT-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223503;MM223503;C=C(C)NC(C)=NC(C)C;QFEGGQVHGGOYLD-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223504;MM223504;CC(=O)OC(C)=CC(C)C;AJSUZBXPHHWOHA-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223505;MM223505;CC(=O)OC(C)=CC(F)F;ZQUCGIZCIXFOAP-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223506;MM223506;C=C(C)CC(C)=NN(C)C;KPLUVRPCTOMSBP-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223507;MM223507;C=C(F)CC(C)=NN(C)C;SCGHQXFRXILWLC-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223508;MM223508;C=C(C)CC(C)=CC(C)=O;JBNFORSKOSTWSB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223509;MM223509;CNN=CNOC(C)CO;HALIPQSZRYVBPY-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223510;MM223510;C=C(C)CC(C)=CC(=O)O;VLJCGMULNXOANF-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223511;MM223511;CC(=O)C=C(C)CC(C)=O;SCZCAOODJLKIAJ-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223512;MM223512;C=C(C)C=C(C)CC(=N)N;NGTJHXINXXBUNU-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223513;MM223513;C=C(F)C=C(C)CC(=N)N;ZXPASRVYYIRIJK-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223514;MM223514;CNN(C(N)=O)C(=O)C=O;BNLUHLLDCLJSGD-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223515;MM223515;CC(=O)C=C(C)CC(N)=O;HNWNBQIBQKNLIW-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223516;MM223516;N#CC(CC(O)C#N)=NO;SLBIZXPLFKLMGO-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223517;MM223517;C=C(F)C=C(C)CC(N)=O;GFJSJXIYUXWJLB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223518;MM223518;C=C(C)C=C(C)CC(=O)O;VDNMTUBNIGQAJK-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223519;MM223519;C=C(F)C=C(C)CC(=O)O;CJFVSNKAEDBHFD-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223520;MM223520;C=C(F)CC(C)=CC(C)=O;DMFJFDWMTNVBRU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223521;MM223521;C=C(F)CC(C)=CC(=N)N;SQTQSDAXEJTWEN-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223522;MM223522;C=NN(C=NC=N)C(N)=O;ZZRPRELBLHXUDV-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223523;MM223523;C=C(C)CC(N)=CC(=N)N;NWQRABUUVWRVAB-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223524;MM223524;CC(=O)CC(N)=CC(=N)N;CGLRCIPOMAOJGI-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223525;MM223525;C#Cc1ncoc1O;BGEJDHYRFSEBGF-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223526;MM223526;CC(=O)C=C(N)CC(=N)N;ICSSOFLHVAIROS-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223527;MM223527;C=C(F)CC(N)=CC(C)=O;ZYBHLTNYCGATBS-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223528;MM223528;C=C(C)CC(F)=CC(=N)N;XLGJMMPSWZLLOA-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223529;MM223529;C#CC(=NC=NC)N(C)O;HLHNSZUHLINHMD-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223530;MM223530;C=C(C)C=C(F)CC(C)=O;HZGYEBSPNODOPN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223531;MM223531;C=C(C)C=C(F)CC(=N)N;FSNPDIHKMRDLHA-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223532;MM223532;C=C(F)C=C(F)CC(=N)N;ZLQQYMNGHSFCFW-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223533;MM223533;C=C(C)C=C(F)CC(N)=O;NRGYFONHIIBAQO-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223534;MM223534;C=C(C)C=C(F)CC(=O)O;RWTRHTVOCPXZSN-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223535;MM223535;C=C(F)CC(F)=CC(=N)N;VIJAYCYUXFRTKG-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223536;MM223536;C=C(C)C=C(C)NC(C)=N;GUIXDDPDCQGVCN-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223537;MM223537;CC(=N)NC(C)=CC(=N)N;ZBKZIJDLLGOIQP-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223538;MM223538;C=C(F)C=C(C)NC(C)=N;ILCFTOOWXFETIA-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223539;MM223539;C=C(C)C=C(C)NC(C)=O;OBZQIKKSBIOVTM-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223540;MM223540;C=C(F)C=C(C)NC(C)=O;RYJSXIMAZIFKRS-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223541;MM223541;C=C(F)C=C(C)NC(=N)N;IPGHBYZPPAGHNR-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223542;MM223542;CC(=O)C=C(C)NC(N)=O;OAHVQHKDDJBCDC-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223543;MM223543;C=C(F)C=C(C)NC(N)=O;ZILYRGYTKLGFHA-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223544;MM223544;N=C(N)C=C(N)NC(=N)N;FZWYNJDAEMKJJS-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223545;MM223545;N=C(N)NC(N)=CC(N)=O;BWSSRNHUMYZWTQ-UHFFFAOYSA-N;143.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223546;MM223546;N=C(N)C=C(N)NC(N)=O;VHPOXFOICVVQOL-UHFFFAOYSA-N;143.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223547;MM223547;NC(=O)C=C(N)NC(N)=O;AEXRWFDEGOZMFT-UHFFFAOYSA-N;144.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223548;MM223548;CC(=N)NC(C)=NC(=N)N;PUPOAMKXMHGIFN-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223549;MM223549;C=NN1CC2C(O)C2(C)C1;SYPDSHLCJQRJSZ-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223550;MM223550;CC(=O)N=C(C)NC(C)=O;MLXJMFSSKNGPEU-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223551;MM223551;CC(=O)NC(C)=NC(=N)N;RVTVMIDVHXCUPF-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223552;MM223552;CC(=NC(=N)N)NC(=N)N;YEGDKMVREMBNEL-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223553;MM223553;CC(=NC(=N)N)NC(N)=O;IVISTMKZJKNDBX-UHFFFAOYSA-N;143.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223554;MM223554;CC(=O)OC(N)=CC(=N)N;QRAKNBWEVKNEHZ-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223555;MM223555;CC(F)=CC(C#N)=NO;LLPMXXGORROGQY-UHFFFAOYSA-N;128.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223556;MM223556;OC(C=C(F)F)C=C(F)F;QAGSJRUGZQXPSF-UHFFFAOYSA-N;156.08;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223557;MM223557;CC(C)=CC(=O)C=C(C)N;YZKTTYMEWKPGOX-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223558;MM223558;CC(C)=CC(=O)C=C(F)F;XQGUPMWPJDPUDC-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223559;MM223559;CC(N)=CC(=O)C=C(F)F;UTRPUWXTUUVMKD-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223560;MM223560;CC(=N)NC(=N)N=C(N)N;KMWUEFNNCDEGEC-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223561;MM223561;N=C(N)NC(=N)N=C(N)N;HVEDNMJLGGAPFQ-UHFFFAOYSA-N;143.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223562;MM223562;CC(=N)NC(=O)N=C(N)N;NWTZRDSIMPLQQC-UHFFFAOYSA-N;143.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223563;MM223563;CC(C)=CC(C)=CC(C)N;HYMLVVOGKVLZIO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223564;MM223564;CC(F)=CC(F)=CC(C)N;NLHNEOYAIGNUAL-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223565;MM223565;CC(F)=CC(C)=NN(C)C;KGEDEMZEKIMKCN-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223566;MM223566;CN(C)NC(=N)N=C(N)N;KHYCSJZWGQWLSI-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223567;MM223567;CC(=O)C=C(C)C=C(C)C;ZTPXOKCITRROGN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223568;MM223568;CC(C)=CC(C)=CC(=N)N;KSUCSRSRHICSDJ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223569;MM223569;N#CC=C1NCC(CO)O1;FEZARQSMZWYHBI-UHFFFAOYSA-N;140.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223570;MM223570;CC(C)=CC(C)=CC(=O)O;XUNXHADHEIKFFH-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223571;MM223571;CC(=O)C=C(C)C=C(C)F;UDPCBLUGPYPSLV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223572;MM223572;CC(F)=CC(C)=CC(=N)N;OEPWVAIKNXHVOZ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223573;MM223573;NN=Cc1c[nH]c(CO)c1;RNJZNGRFMNUAEC-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223574;MM223574;CC(=O)C=C(C)C=C(F)F;YSOULIYHBHQYCT-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223575;MM223575;CC(C=C(F)F)=CC(=N)N;DNJSAKMSSMPRBS-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223576;MM223576;CC(=O)C=C(N)C=C(C)F;BJOWWDNNRIQDPK-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223577;MM223577;CC(C)=CC(F)=CC(=N)N;WPQCVMXHZGPRTG-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223578;MM223578;C=Cc1onc(NN)c1N;HFDSCKWGGFYMOK-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223579;MM223579;CC(F)=CC(F)=CC(=N)N;OXIRPWBHSRFECM-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223580;MM223580;N=C(N)C=C(F)C=C(F)F;LHOBIOZIJPNYEY-UHFFFAOYSA-N;150.1;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223581;MM223581;CC(=N)NC(N)=NC(N)=O;SWEIYQKFXGDTQQ-UHFFFAOYSA-N;143.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223582;MM223582;N=C(N)N=C(N)NC(=N)N;HVEDNMJLGGAPFQ-UHFFFAOYSA-N;143.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223583;MM223583;CC(C)CC1(C)CC1(C)C;KPGODLOBVRDAQZ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223584;MM223584;CC1(C)CC1(C)CC(F)F;VOLCBDIXKBRTQJ-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223585;MM223585;CC(C)NC1(C)CC1(C)C;PIGNJIKATYYYNL-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223586;MM223586;CC(N)CC1(C)NC1(C)C;RCYMESLIDGQPJJ-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223587;MM223587;CN(C)CC1(C)NC1(C)C;NKKSWGUEUVILTP-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223588;MM223588;CC(O)CC1(C)OC1(C)C;AQZSRMZHZJATBU-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223589;MM223589;CC1(C)CC2(C)CC2(C)C1;HZMLGDRHLUPTCH-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223590;MM223590;CC12CC(F)(F)CC1(C)C2;JZFMDPUEXMKRDM-UHFFFAOYSA-N;146.18;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223591;MM223591;CC1(N)CC2(C)CC2(N)C1;LURQECGOVCCILW-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223592;MM223592;CC1(C)CC2(C)CC2(C)N1;BEXGNDKESYIEFN-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223593;MM223593;CC1(N)CC2(C)NC2(C)C1;ONGQHRFEORZZBR-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223594;MM223594;CCC(C)C(C)C(C)(C)C;MHPSPNGWFAGBNH-UHFFFAOYSA-N;142.29;3.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223595;MM223595;CC(CN)C(C)C(C)(C)C;PNSGLXIDMWYDNX-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223596;MM223596;CCn1ncc(CO)c1C;FGYVPWYZXQJMNO-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223597;MM223597;CC(C(N)CN)C(C)(C)C;NOCHAXOYEQADIR-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223598;MM223598;CC(C(N)CF)C(C)(C)C;SDYRWDBVHRSKFQ-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223599;MM223599;CC(C(O)CN)C(C)(C)C;LNLZPUYOEPZSSJ-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223600;MM223600;CC(CO)C(N)C(C)(C)C;FVTJEOFJTJODPA-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223601;MM223601;CC(CF)C(N)C(C)(C)C;YRWWCHJHYHMRMV-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223602;MM223602;CCC(O)C(N)C(C)(C)C;FECMWWXKTICOSN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223603;MM223603;CCC(F)C(N)C(C)(C)C;LPFMBRQHLYKNMZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223604;MM223604;CC(C)(C)C(O)C(N)CN;PQGMRCJGUTWBEZ-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223605;MM223605;CC(C)(C)C(O)C(N)CO;UHVRKTGEJWAGOI-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223606;MM223606;CC(C)(C)C(O)C(O)CN;IGJADLBZHIFFQU-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223607;MM223607;CC(C)(C)C(O)C(O)CO;SBNAQMYJKLIEOC-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223608;MM223608;CC(C)(C)C(O)C(O)CF;IDCWMQDVDYVFPA-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223609;MM223609;CC(C)(C)C(O)C(F)CO;CVNXTGIJIMSXLR-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223610;MM223610;CC(CN)C(F)C(C)(C)C;WOXOGXLOADIIDY-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223611;MM223611;CC(C)(C)C(F)C(O)CO;KTYRWKABOXMXKH-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223612;MM223612;CC(CF)C(C)C(C)(C)N;SDLKSDWTNAFROT-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C3";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223613;MM223613;CC(C(N)CN)C(C)(C)N;FHDGJAXDVXKPSH-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223614;MM223614;CCC(O)C(C)C(C)(C)N;XLIHOXYFQCBNQN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223615;MM223615;CC(C(O)CO)C(C)(C)N;IFBAKNGOLCHLOL-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223616;MM223616;CC(C(F)CF)C(C)(C)N;ROVSFQSQDUHSSB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223617;MM223617;CCC(N)C(N)C(C)(C)N;AGUIYZPXQOBLGR-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223618;MM223618;CCC(O)C(N)C(C)(C)N;RTXCDLRAHLROMS-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223619;MM223619;CC(C)(N)C(N)C(F)CF;HMUWDCPFAXRYSO-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223620;MM223620;CC(CO)C(O)C(C)(C)N;BMTKDWUCMSISRN-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223621;MM223621;CC(C)(N)C(O)C(N)CN;YXRYCKNWPUYTAD-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223622;MM223622;CC(C)(N)C(O)C(N)CO;JCYFICLSZSWDAL-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223623;MM223623;CC(C)(N)C(O)C(N)CF;DICJSZSQPLCWLD-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223624;MM223624;CC(C)(N)C(O)C(O)CN;USTNMVUZQKCBSR-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223625;MM223625;CC(C)(N)C(O)C(O)CO;OTVPPVAPSRQBDL-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223626;MM223626;CC(C)(N)C(O)C(O)CF;FBLVOHJAAUCFIP-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223627;MM223627;CC(C)(N)C(O)C(F)CO;LKCXKYFIDXUBIB-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223628;MM223628;CCC(C)C(F)C(C)(C)N;PCRGCYNILNUWKB-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223629;MM223629;CC(CF)C(F)C(C)(C)N;KVEPMCPYMOYNPU-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223630;MM223630;CCC(F)C(F)C(C)(C)N;QPHVIHXNEDKQLR-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223631;MM223631;CC(CO)C(C)C(C)(C)O;PKJRYBRCZGCXPB-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223632;MM223632;CC(CF)C(C)C(C)(C)O;NUYOILOTYXCUMR-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223633;MM223633;CC(C(N)CN)C(C)(C)O;JLMAQEXOWRUPOT-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223634;MM223634;CC(C(N)CO)C(C)(C)O;WCWPPDIXNULTQW-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223635;MM223635;CCC(O)C(C)C(C)(C)O;KOHSZBUMEHKSDK-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223636;MM223636;CC(C(O)CN)C(C)(C)O;CEDRDFQMDMEZRM-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223637;MM223637;CC(C(O)CO)C(C)(C)O;KROGOIMZXNSUKQ-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223638;MM223638;CCC(F)C(C)C(C)(C)O;PKKLRNLAEPZYKC-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223639;MM223639;CCC(C)C(N)C(C)(C)O;LQIIEGUFWWYFJO-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223640;MM223640;CC(CO)C(N)C(C)(C)O;DYZIIBYAVCFDDF-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223641;MM223641;CCC(N)C(N)C(C)(C)O;JXQOEORWSQQBGM-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223642;MM223642;CC(C)(O)C(N)C(F)CF;WZKUHVVMZBLWAH-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223643;MM223643;CC(CN)C(O)C(C)(C)O;AEQBGWCEGSANFY-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223644;MM223644;CC(C)(O)C(O)C(N)CO;LKIZMMFMOVHQSJ-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223645;MM223645;CC(C)(O)C(O)C(O)CN;DQHXOSNGWDCFBS-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223646;MM223646;CC(C)(O)C(O)C(O)CO;RQRXZYIMQLWVFK-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223647;MM223647;CC(CN)C(C)C(C)(C)F;BDEYOCQPLZQIMR-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223648;MM223648;CCC(N)C(C)C(C)(C)F;SFKVQIXMZIYZAE-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223649;MM223649;CC(C(O)CO)C(C)(C)F;ILNZGKWRNPBOSS-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223650;MM223650;CC(CF)C(N)C(C)(C)F;SSEBEEDUMAUTKW-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223651;MM223651;CC(CO)C(O)C(C)(C)F;FCVUORHAOQZWCR-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223652;MM223652;CCC(N)C(O)C(C)(C)F;ICAGRRYQJCJDDC-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223653;MM223653;CC(C)(F)C(O)C(N)CO;GIKTWPDXOMVLFD-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223654;MM223654;CCC(O)C(O)C(C)(C)F;WGLZOUUGPZVGLH-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223655;MM223655;CC(C)(F)C(O)C(O)CO;UVXDQSYXHPNKHE-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223656;MM223656;CC(C)(F)C(O)C(F)CF;XNXSMFUYRITNRD-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223657;MM223657;CC(CN)C(F)C(C)(C)F;ZWDUCHKSLPJKBC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223658;MM223658;CC(C)(F)C(F)C(O)CO;AMTRFJGKBKNWNJ-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223659;MM223659;CC(CN)C(C)C(C)(F)F;DTALYICHFGFZCM-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223660;MM223660;CC(CN)C(N)C(C)(F)F;JMGSNVJOFVMLSF-UHFFFAOYSA-N;152.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223661;MM223661;CC(F)(F)C(N)C(N)CN;QMLCHVUAIYYYAC-UHFFFAOYSA-N;153.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223662;MM223662;CC(F)(F)C(N)C(N)CO;FBNMGQPUELFHKW-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223663;MM223663;CC(F)(F)C(N)C(O)CN;AWQYOVJLRYJMEE-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223664;MM223664;CCC(N)C(O)C(C)(F)F;AGCQFVVXBAUHMM-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223665;MM223665;CC(F)(F)C(O)C(N)CN;LKDUUIXKIJEKGJ-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223666;MM223666;CC(F)(F)C(O)C(N)CO;XESXRPFPPOJVGS-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223667;MM223667;CCC(O)C(O)C(C)(F)F;ZCXVXACTXLTHNH-UHFFFAOYSA-N;154.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223668;MM223668;CC(F)(F)C(O)C(O)CN;PEIYZCHTIYTFDH-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223669;MM223669;CC(F)(F)C(O)C(O)CO;GMHXLFPUIBAIRW-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223670;MM223670;CC(CN)C(O)C(F)(F)F;VRHBRRBBBFUFBD-UHFFFAOYSA-N;157.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223671;MM223671;CC(CO)C(O)C(F)(F)F;RCJRADFDYPHBHA-UHFFFAOYSA-N;158.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223672;MM223672;CCC(N)C(O)C(F)(F)F;GWSYPURAMKENMH-UHFFFAOYSA-N;157.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223673;MM223673;CCC(O)C(O)C(F)(F)F;XTXWVKJSYMMVQB-UHFFFAOYSA-N;158.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223674;MM223674;CNC(C)C(N)C(C)(C)C;MXDBQQLQECBSOJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223675;MM223675;CNC(C)C(O)C(C)(C)O;XAHNCAKBKABGER-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223676;MM223676;CNC(C)C(O)C(C)(C)F;UCJZOTURIKRDAZ-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223677;MM223677;CNC(C)C(C)C(C)(F)F;CNNSHFMQBNMHKM-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223678;MM223678;CNC(C)C(O)C(F)(F)F;PWBKYYRDSVXQSS-UHFFFAOYSA-N;157.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223679;MM223679;COC(C)C(C)C(C)(C)N;USSCMRRBWAMJQN-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223680;MM223680;COC(C)C(O)C(C)(C)O;IPNOSQSDBVHGJM-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223681;MM223681;COC(C)C(O)C(C)(C)F;QQGPQFQUODMIQB-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223682;MM223682;COC(C)C(O)C(C)(F)F;JEEVBFWKINMZDF-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223683;MM223683;COC(C)C(N)C(F)(F)F;IMIMULCFJQVQIX-UHFFFAOYSA-N;157.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223684;MM223684;COC(C)C(O)C(F)(F)F;CDJYXSLXQBWHJZ-UHFFFAOYSA-N;158.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223685;MM223685;CCN(C)C(C)C(C)(C)N;DULOAFSKXHPOKD-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223686;MM223686;CCN(C)C(C)C(C)(C)O;FLVUDDHJJPEUTL-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223687;MM223687;CC(CN)N(C)C(C)(C)C;DCLZDNDCVHPXIW-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223688;MM223688;C=CC(C)C(C)C(C)(C)C;JHQCZMWPBOJDNQ-UHFFFAOYSA-N;140.27;3.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223689;MM223689;CC(C=O)C(C)C(C)(C)C;QHIYWEKIXDBXBV-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223690;MM223690;CC(C#N)C(C)C(C)(C)C;DCVQEWXGVIBKQR-UHFFFAOYSA-N;139.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223691;MM223691;C=CC(N)C(C)C(C)(C)C;FJYFWKVLZSCOOJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223692;MM223692;C=Cc1c[nH]c(N=O)c1N;KFZMMJZDDIXSMZ-UHFFFAOYSA-N;137.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223693;MM223693;CC(C(O)C=O)C(C)(C)C;YBGXTKDQPPUWLK-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223694;MM223694;CC(C(O)C#N)C(C)(C)C;XNRRYMWRXIXRMZ-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223695;MM223695;CC(C(F)C#N)C(C)(C)C;IZUZFFGOSZCQAX-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223696;MM223696;C=CC(C)C(N)C(C)(C)C;SFDZJEKPJUNQLS-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223697;MM223697;C=CC(N)C(N)C(C)(C)C;UZSLNTHFEZPRGT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223698;MM223698;C=CC(O)C(N)C(C)(C)C;SGRMQELBQXHBGA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223699;MM223699;CC(C#N)C(O)C(C)(C)C;MTNDBOANEGFMJS-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223700;MM223700;C=CC(N)C(O)C(C)(C)C;AWNDQFBBDNSTQB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223701;MM223701;C=CC(C)C(C)C(C)(C)N;RBTJNBRDVKAXTK-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223702;MM223702;C=CC(N)C(C)C(C)(C)N;DRIWDEFJATWSNQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223703;MM223703;C=CC(C)C(N)C(C)(C)N;YDKHMZFSTGHVFY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223704;MM223704;C=CC(N)C(O)C(C)(C)N;FYKGKURLGKKBSI-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223705;MM223705;C=CC(C)C(F)C(C)(C)N;YAXIYUTZYIRYEZ-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223706;MM223706;C=CC(O)C(F)C(C)(C)N;VZHVKRYULQGJDD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223707;MM223707;CCC1NC1C(C#N)C=O;YMVBXIXUPHKBIM-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223708;MM223708;CC(C#N)C(C)C(C)(C)O;JMYMTOBIPMZBEC-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223709;MM223709;CC(C(F)C#N)C(C)(C)O;GLLJPJIKVMPSBC-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223710;MM223710;CC(C)(O)C(O)C(O)C=O;CHUOJEZZZSBBLM-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223711;MM223711;CC(C)(O)C(O)C(O)C#N;MXUOWCMFCJKYPG-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223712;MM223712;C=CC(C)C(F)C(C)(C)O;ZRUPJLJSPBFPFA-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223713;MM223713;CC(C#N)C(F)C(C)(C)O;JXVHNUIVDFAZGU-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223714;MM223714;C=CC(O)C(C)C(C)(C)F;OPIHNLKTLREIKL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223715;MM223715;C=CC(C)C(N)C(C)(C)F;CUXDXRXEMWLKAI-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223716;MM223716;C=CC(O)C(O)C(C)(C)F;WAXKTRFMIGWVEO-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223717;MM223717;CC(C)(F)C(O)C(O)C=O;DNLHWFKMJNKQQW-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223718;MM223718;CC(C)(F)C(O)C(F)C=O;HNXOSFLCYLTFMY-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223719;MM223719;CC(C)(F)C(O)C(F)C#N;XKYDIKLQWDICCI-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223720;MM223720;CC(C)(F)C(F)C(O)C#N;JSKHCGLAXPORFR-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223721;MM223721;CC(C(O)C=O)C(C)(F)F;RPABBIDJTBKPRI-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223722;MM223722;C=CC(O)C(O)C(C)(F)F;VILHBZKNVGQSAH-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223723;MM223723;CC(F)(F)C(O)C(O)C=O;HCCQPVQLYHASLB-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223724;MM223724;C=CC(F)C(O)C(C)(F)F;HMSJBAMBTWBBOF-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223725;MM223725;CC(F)(F)C(O)C(F)C#N;SIKNEJMNEQLRBI-UHFFFAOYSA-N;153.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223726;MM223726;C=CC(O)C(O)C(F)(F)F;RLMFMPVHXKDJKR-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223727;MM223727;N#CC(F)C(O)C(F)(F)F;CEMOBYAXBZPXIR-UHFFFAOYSA-N;157.07;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223728;MM223728;CC(N(C)C=N)C(C)(C)C;KQDVMKJTIUJMCU-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223729;MM223729;CC(N(O)C=N)C(C)(C)N;MVNQPNLEQRVQQH-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223730;MM223730;CC(N(N)C=N)C(C)(C)O;WOKDNDQUOQLZCR-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223731;MM223731;C=NN1CC1C(CO)OC;APHODCSOSPMCFI-UHFFFAOYSA-N;144.17;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223732;MM223732;CC(N(C)C=N)C(C)(F)F;JUBACZCHSIXITF-UHFFFAOYSA-N;150.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223733;MM223733;CC(N(C)C=N)C(F)(F)F;JDUQGFXBRLVYIR-UHFFFAOYSA-N;154.14;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223734;MM223734;CN(C=O)N(C)C(C)(C)C;BWYMXTNPUGTNKT-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223735;MM223735;C#CC(N)C(C)C(C)(C)C;GTZOFTMZDCEXIO-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223736;MM223736;C#CC(O)C(C)C(C)(C)C;BBRMYVQZYZKOIO-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223737;MM223737;C#CC(F)C(C)C(C)(C)C;PLNBHEHSYYNRRV-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223738;MM223738;C#CC(O)C(O)C(C)(C)C;CYMZNDXHQFZCLK-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223739;MM223739;C#CC(C)C(C)C(C)(C)N;MGYSKYQWSWYVED-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223740;MM223740;C#CC(N)C(O)C(C)(C)N;SWZWSHSNLZJFBR-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223741;MM223741;C#CC(O)C(O)C(C)(C)N;PGEMRTIXEMLNSJ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223742;MM223742;C#CC(C)C(F)C(C)(C)N;YSAFJWREHYDLSP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223743;MM223743;C#CC(O)C(C)C(C)(C)O;WGWYOFWXOXJIPD-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223744;MM223744;C#CC(F)C(O)C(C)(C)F;ZCMXNTOPKCUXTC-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223745;MM223745;C#CC(N)C(C)C(C)(F)F;ZKIFKNSOVQDECT-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223746;MM223746;C#CC(C)C(O)C(C)(F)F;ZWLBRNUWPRIVLH-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223747;MM223747;C#CC(N)C(O)C(C)(F)F;DWDLTEHGVVRNJA-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223748;MM223748;C#CC(F)C(O)C(C)(F)F;RUVZVDQYCSGPGV-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223749;MM223749;C#CC1NC1C(CO)OC;VOCVKVDFLAYTHI-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223750;MM223750;C#CC(C)C(O)C(F)(F)F;QMWCWUKKZSVOPE-UHFFFAOYSA-N;152.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223751;MM223751;C=C(CN)C(C)C(C)(C)C;NZLBTMBISMYXTM-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223752;MM223752;CC1C(O)C1N(C)CC#N;SNHWEHDVRGUGRK-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223753;MM223753;CC(C(=O)CO)C(C)(C)C;XRORMBBSPZBSKZ-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223754;MM223754;C=C(CN)C(N)C(C)(C)C;UDNVGGLTWGILIN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223755;MM223755;C=C(CO)C(N)C(C)(C)C;OWJGTXFTGQWBLN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223756;MM223756;C=C(CN)C(O)C(C)(C)C;PRIYNWDOCBHWLI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223757;MM223757;C=C(CO)C(F)C(C)(C)C;ZHVYDPKPQAZFOO-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223758;MM223758;C=C(CC)C(C)C(C)(C)N;WOCJYUPCPWIZNG-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223759;MM223759;C=C(CN)C(C)C(C)(C)N;FDQUAQYXYNSDFF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223760;MM223760;C=C(CC)C(N)C(C)(C)N;KASDBXLRKLOGSK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223761;MM223761;C=C(CF)C(N)C(C)(C)N;KHFZCLDVBZKNTG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223762;MM223762;C=C(CN)C(O)C(C)(C)N;AOEXFKUJTSVJPO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223763;MM223763;C=C(CO)C(O)C(C)(C)N;YUJINJDCENCTMS-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223764;MM223764;C=C(CC)C(F)C(C)(C)N;IAPVHXRLJJNZRT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223765;MM223765;C=C(CN)C(F)C(C)(C)N;XTPSSHBIBQIBAS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223766;MM223766;CCC(=O)C(C)C(C)(C)O;FZISCUNFSMYDMQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223767;MM223767;CC(C(=O)CF)C(C)(C)O;PMPLQIOETCFXSK-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223768;MM223768;C=C(CC)C(N)C(C)(C)O;IUCDPACAAWAFNW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223769;MM223769;CC(C)(O)C(O)C(=O)CF;OAXCWYNCWZNNBG-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223770;MM223770;CC(C)(F)C(O)C(=O)CO;MIGKMIJCNABDLP-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223771;MM223771;CC(C)(F)C(O)C(=O)CF;RYAGIJDVRZAAJD-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223772;MM223772;CC(C)(F)C(F)C(=O)CO;XKXRFNGYOHPGCC-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223773;MM223773;C=C(CO)C(C)C(C)(F)F;WXXHPGOSEABPIK-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223774;MM223774;CC(C(=O)CO)C(C)(F)F;FPXNAZYVDKJOQX-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223775;MM223775;CCC(=O)C(O)C(C)(F)F;ZQJYIFXESCTWEP-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223776;MM223776;CC(F)(F)C(O)C(=O)CO;LGWIPIRZABDGGF-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223777;MM223777;C=C(CF)C(O)C(F)(F)F;LIKAQEOMMFALGR-UHFFFAOYSA-N;158.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223778;MM223778;CC(C(=O)NO)C(C)(C)C;QSDNDTTVZPAGTG-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223779;MM223779;CNC(=N)C(O)C(C)(C)C;DJXMPJSDOJMKBV-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C3";;;;;;;0.59;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223780;MM223780;O=CC(C=O)C=NN1CC1;YEHMHAGRISHUMD-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223781;MM223781;CNC(=N)C(N)C(C)(C)N;XITRUXQGKNJUCI-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223782;MM223782;CNC(=O)C(N)C(C)(C)N;CDRYGVVRZUTDSQ-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223783;MM223783;CNC(=N)C(O)C(C)(C)N;GXYMKTYZFOHUKD-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223784;MM223784;CC(C)(N)C(O)C(=N)NO;FCBFWKQXSHPCIW-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223785;MM223785;CNC(=O)C(O)C(C)(C)N;VTMCGMASHCAOOH-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223786;MM223786;CC(C(=N)NN)C(C)(C)O;YFLKXQBTNIMDNJ-UHFFFAOYSA-N;145.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223787;MM223787;CC(C(=N)NO)C(C)(C)O;SGLMLEWUJSFFFI-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223788;MM223788;OCC(C#CC1CN1)=CF;MSDFNHJQEMRCSJ-UHFFFAOYSA-N;141.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223789;MM223789;CC(C(=O)NO)C(C)(C)O;QZPAFDHWROYVAD-UHFFFAOYSA-N;147.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223790;MM223790;CNC(=N)C(N)C(C)(C)O;LRXZSEHPUXULRO-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223791;MM223791;CNC(=N)C(O)C(C)(C)O;QIVMTQYLMHPODZ-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223792;MM223792;CC(C)(O)C(O)C(=N)NN;HPMBIDGCPWTYDX-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223793;MM223793;CNC(=O)C(O)C(C)(C)O;POUSQGLVWMNENH-UHFFFAOYSA-N;147.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223794;MM223794;CC(C)(O)C(O)C(=O)NN;PTMABBLDUGDELC-UHFFFAOYSA-N;148.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223795;MM223795;CC(C)(O)C(O)C(=O)NO;HHIUVLHCOKNETR-UHFFFAOYSA-N;149.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223796;MM223796;O=CC12COC(CO)C1N2;VZIYNZPOCQEEFO-UHFFFAOYSA-N;143.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223797;MM223797;N=C1C=NC(NO)=N1;XOVBVLLFWXNMCM-UHFFFAOYSA-N;112.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223798;MM223798;CC(C)(O)C(F)C(=O)NO;AFGHGTOFCXFKIP-UHFFFAOYSA-N;151.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223799;MM223799;CNC(=N)C(N)C(C)(C)F;DKSOAZVKZLKFAO-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223800;MM223800;CC(C)(F)C(O)C(=N)NN;DNTZXVPDDIGNHM-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223801;MM223801;CC(C)(F)C(O)C(=O)NN;UZRZVHNYCNTYKI-UHFFFAOYSA-N;150.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223802;MM223802;CC(C)(F)C(F)C(=N)NN;RJWNDHJHYZGQEO-UHFFFAOYSA-N;151.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223803;MM223803;C=C(C=NN)C(C)(C)O;KHDOPWQJLYDEPO-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223804;MM223804;CNC(=O)C(F)C(C)(C)F;WETCHSLCHQLCAI-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223805;MM223805;CC(C)(F)C(F)C(=O)NO;XYLOOXLCTKTDSO-UHFFFAOYSA-N;153.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223806;MM223806;CC(C(=N)NO)C(C)(F)F;XTVSSXMMQAMQGF-UHFFFAOYSA-N;152.14;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223807;MM223807;CNC(=N)C(O)C(C)(F)F;JIFSSJOXQBTSDZ-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223808;MM223808;CNC(=N)C(C)C(F)(F)F;CPGVGQDNYLZPGD-UHFFFAOYSA-N;154.14;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223809;MM223809;COC(=O)C(O)C(C)(C)C;YYAKMBGOMGURAY-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223810;MM223810;C=C(OC)C(N)C(C)(C)N;MPEDUFNWAOKTMY-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223811;MM223811;COC(=O)C(O)C(C)(C)O;GHWRZRNYIIZFRP-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223812;MM223812;COC(=O)C(N)C(C)(C)F;GWTQQCIBNYVBMO-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223813;MM223813;C=C(OC)C(O)C(C)(C)F;GJHXRZGHGKGKBV-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223814;MM223814;COC(=O)C(O)C(C)(C)F;ZYWUCOZGXHCKIK-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223815;MM223815;C=C(OC)C(O)C(C)(F)F;LJMATBAXMRJXNW-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223816;MM223816;C=C(OC)C(N)C(F)(F)F;MGXUZICUPDMKKC-UHFFFAOYSA-N;155.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223817;MM223817;C=C(OC)C(O)C(F)(F)F;TZWYYMVFMCASGH-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223818;MM223818;COC(=O)C(F)C(F)(F)F;YPGCUXBNTDXTKF-UHFFFAOYSA-N;160.07;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223819;MM223819;CN(C(=N)CO)C(C)(C)C;MXHOSBCKVUTVTG-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C3";;;;;;;0.59;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223820;MM223820;CC1(O)CN2CC2(C)C1;UBKYNMKBWVYYIX-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223821;MM223821;CNC(=N)N(C)C(C)(C)C;VUEXYAAPOJWUGJ-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223822;MM223822;CN(C(=N)NN)C(C)(C)C;YCYQJWVSIFFGFX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223823;MM223823;CN(C(=N)NO)C(C)(C)C;PHMOBNJGNNSCFN-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223824;MM223824;CC(C)(O)C1NC1C#N;JXDDSUYMOBCFJV-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223825;MM223825;CN(C(=O)NO)C(C)(C)C;FYWJTUUMAAWBGE-UHFFFAOYSA-N;146.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223826;MM223826;CNC(=N)N(N)C(C)(C)C;NAVUSJFAAOAGSY-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223827;MM223827;C=CC(=C)C(C)C(C)(C)C;RVDCTPBPEKQUKV-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223828;MM223828;C=C(C#N)C(C)C(C)(C)C;IWVQLFNHEZUOCM-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223829;MM223829;CC(C(=O)C#N)C(C)(C)C;NPYSKXBPLFBHIK-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223830;MM223830;CC(C)(C)C(O)C(=O)C#N;UZWZBVXLTBRZGJ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223831;MM223831;C=CC(=O)C(F)C(C)(C)C;LNWLGIYMDWDMBW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223832;MM223832;C=CC(=C)C(C)C(C)(C)N;HOQMVRPNBPWHGJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223833;MM223833;C=C(C=O)C(C)C(C)(C)O;RAGWUTVMUANAPP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223834;MM223834;C=C(C#N)C(C)C(C)(C)O;WXPFCLXEXFOPGJ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223835;MM223835;C=CC(=O)C(C)C(C)(C)O;MSBRCNDZITVMSU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223836;MM223836;C=C(C=O)C(O)C(C)(C)O;CEPDWONWYPKTPZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223837;MM223837;C=CC(=O)C(O)C(C)(C)O;JBDPTPJDWINWAA-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223838;MM223838;CC(C)(O)C(O)C(=O)C#N;PBKRHOOOUDCSKK-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223839;MM223839;CC(C(=O)C=O)C(C)(C)F;QVSCCIFZFHWHAY-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223840;MM223840;C=C(C#N)C(O)C(C)(C)F;LGGMRZUOBTTYOO-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223841;MM223841;CC(C)(F)C(O)C(=O)C#N;FRRBYIWNWJBCSN-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223842;MM223842;CC(C(=O)C=O)C(C)(F)F;GAUQQNOJGOMOIT-UHFFFAOYSA-N;150.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223843;MM223843;C=CC(=C)C(O)C(C)(F)F;NJJMACYIMTWVQD-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223844;MM223844;C=C(C#N)C(O)C(C)(F)F;LYUIABPTTGDACO-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223845;MM223845;CC(F)(F)C(O)C(=O)C=O;JMVGNDWCURLLKF-UHFFFAOYSA-N;152.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223846;MM223846;CC(F)(F)C(F)C(=O)C=O;OYHLETMTABBUDR-UHFFFAOYSA-N;154.09;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223847;MM223847;CC(F)(F)C(F)C(=O)C#N;OSQAYJGDXONRFZ-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223848;MM223848;C=C(C=O)C(O)C(F)(F)F;QFOVIKLDPLQORG-UHFFFAOYSA-N;154.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223849;MM223849;C=C(C#N)C(O)C(F)(F)F;MOWWBJSGHMHKPJ-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223850;MM223850;O=CC(=O)C(O)C(F)(F)F;NFGDEUQOIIGKOY-UHFFFAOYSA-N;156.06;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223851;MM223851;N#CC(=O)C(F)C(F)(F)F;PRFXUDLIXOSWMI-UHFFFAOYSA-N;155.05;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223852;MM223852;CN(C(=O)C=O)C(C)(C)C;FZFLSDQUPWUVDL-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223853;MM223853;C#CC(=C)C(C)C(C)(C)C;IXPKRXLJUCYHCV-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223854;MM223854;C#CC(=O)C(O)C(C)(C)C;FHYGXMXGAPQERE-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223855;MM223855;C#CC(=C)C(C)C(C)(C)N;PANMPBJUNLIGEX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223856;MM223856;C#CC(=C)C(O)C(C)(C)N;AOAHVBYOISRZAF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223857;MM223857;C#CC(=O)C(C)C(C)(C)O;YCCPTZVGPURXBT-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223858;MM223858;C#CC(=O)C(O)C(C)(C)O;UBKFEIZDKBGMBA-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223859;MM223859;C#CC(=C)C(O)C(C)(C)F;JKCQJRIJWKKYQO-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223860;MM223860;C#CC(=C)C(O)C(C)(F)F;QEUPPZLPMFZUJC-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223861;MM223861;C#CC(=O)C(F)C(C)(F)F;SBUFQVUFWQNHDX-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223862;MM223862;C#CC(=C)C(O)C(F)(F)F;KIXIUGUZKZSXNT-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223863;MM223863;C#CC(=O)C(F)C(F)(F)F;DRUHJSHRZOUVBC-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223864;MM223864;C=C(C(C)CN)C(C)(C)C;YKGGZRZVHMYBCZ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223865;MM223865;CC(CO)C(=O)C(C)(C)C;SSKBRYOEAYVUGR-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223866;MM223866;C=C(C(C)CN)C(C)(C)N;QETVVFLGDNUZAZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223867;MM223867;C=C(C(C)CF)C(C)(C)N;PUCUUBNHSSTRPO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223868;MM223868;C=C(C(N)CC)C(C)(C)N;HNLGVPVQGXHVSR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223869;MM223869;C=C(C(N)CO)C(C)(C)N;OKHROMSUABGZPA-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223870;MM223870;C=C(C(O)CN)C(C)(C)N;PVCIZFBREFWROS-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223871;MM223871;C=C(C(O)CO)C(C)(C)N;VBZNOWMYBCXIQI-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223872;MM223872;C=C(C(F)CC)C(C)(C)N;SBYIAOJZVDDQSB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223873;MM223873;C=C(C(F)CN)C(C)(C)N;NFKMHDAZMVYGNG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223874;MM223874;C=C(C(C)CF)C(C)(C)O;NTWNEDKQGDIBED-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223875;MM223875;C=C(C(N)CC)C(C)(C)O;ZIBJXFQIJJBJLQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223876;MM223876;C=C(C(F)CC)C(C)(C)O;QEJZGFWUFDMQOW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223877;MM223877;CCC(C)C(=O)C(C)(C)O;WDWONDBTCRCRKZ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223878;MM223878;CC(CO)C(=O)C(C)(C)O;HTJBQWCHQDZPTF-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223879;MM223879;CC(C)(O)C(=O)C(O)CO;DUDKVZYXAGSWBM-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223880;MM223880;CCC(F)C(=O)C(C)(C)O;KDJRGMKPLKKRTF-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223881;MM223881;CC(C)(O)C(=O)C(F)CO;ABUTYLSDTNKJDH-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223882;MM223882;CC(C)(F)C(=O)C(O)CO;WUTABQLPGWCQSU-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223883;MM223883;C=C(C(C)CN)C(C)(F)F;ZJYBLRPGKVFVEQ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223884;MM223884;CCC(O)C(=O)C(C)(F)F;OFMZZPKXIMFINO-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223885;MM223885;CC(F)(F)C(=O)C(O)CO;UHAJIVXETWTLRD-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223886;MM223886;CC(F)(F)C(=O)C(O)CF;XWVLROHVUGNPLE-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223887;MM223887;C=C(C(O)CN)C(F)(F)F;BIABVFUMYBNYJM-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223888;MM223888;C=C(C(O)CO)C(F)(F)F;XJAQEZWXKNKSLV-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223889;MM223889;CC(CO)C(=O)C(F)(F)F;UKSRHKFBNPMKAI-UHFFFAOYSA-N;156.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223890;MM223890;O=C(C(O)CO)C(F)(F)F;SGGPIVRSDAVNHT-UHFFFAOYSA-N;158.08;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223891;MM223891;C=C(C(C)NC)C(C)(C)N;UWBOHXYMWXKAJL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223892;MM223892;C=C(C(C)NC)C(C)(C)O;CTPBFRDTFXCKJX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223893;MM223893;CCN(O)C(=N)C(C)(C)N;DJRBJGASQJFJLP-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223894;MM223894;CCN(N)C(=N)C(C)(C)O;FTXXQZRFBGVDQY-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223895;MM223895;CC1=NC(NO)=NC1=N;OHTGSYFSNLDLQE-UHFFFAOYSA-N;126.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223896;MM223896;CNc1cc(C)c(F)[nH]1;ZUUMKJLOIQVSPG-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223897;MM223897;CCN(N)C(=O)C(C)(C)F;WKQUNUQEFVROGR-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223898;MM223898;CCN(C)C(=N)C(F)(F)F;FSTYITCDGRXBLK-UHFFFAOYSA-N;154.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223899;MM223899;CNN(C)C(=O)C(F)(F)F;WNRIACHLYZMQRH-UHFFFAOYSA-N;156.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223900;MM223900;CON(C)C(=N)C(C)(C)N;FEMALTZJVYZRRA-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223901;MM223901;CON(C)C(=O)C(C)(C)N;QTHCELHXQDZPKZ-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223902;MM223902;CON(C)C(=O)C(C)(C)O;JTNRCOCNOCTBPV-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223903;MM223903;CON(C)C(=O)C(C)(C)F;NRWJMNBTZZCHMI-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223904;MM223904;CON(C)C(=O)C(F)(F)F;JDBJZZTZYKUFFK-UHFFFAOYSA-N;157.09;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223905;MM223905;C=CC(C)C(=C)C(C)(C)C;NGOHKPYZFXSZIA-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223906;MM223906;C=C(C(C)C#N)C(C)(C)C;LBTKPOZQOLORML-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223907;MM223907;C=CC(N)C(=C)C(C)(C)N;XMLLMTUTGXQZGB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223908;MM223908;C=C(C(C)C=O)C(C)(C)O;DFVCPZDJXBELSD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223909;MM223909;C=C(C(C)C#N)C(C)(C)O;SOQGHWHDJSISCK-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223910;MM223910;C=CC(O)C(=C)C(C)(C)O;RGRRTEIFSKLPLH-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223911;MM223911;C=CC(C)C(=O)C(C)(C)O;KGZRWPJGRXRSHT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223912;MM223912;CC(C)(O)C(=O)C(O)C=O;LJTHBEYODQGYCY-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223913;MM223913;CC(C)(O)C(=O)C(O)C#N;CBOGIBLFZHWYRW-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223914;MM223914;C=C(C(O)C#N)C(C)(C)F;FCJZVURYURPNFX-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223915;MM223915;C=CC(C)C(=O)C(C)(C)F;INGBTEPPRVOUGF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223916;MM223916;CC(C#N)C(=O)C(C)(C)F;HPBCWNKCEVKBLV-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223917;MM223917;C=C(C(O)C=O)C(C)(F)F;KHMMAIIFIXQLEE-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223918;MM223918;C=CC(C)C(=O)C(C)(F)F;VPBBWBJVLCUQJV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223919;MM223919;CC(F)(F)C(=O)C(O)C#N;CTMXTHCSOVETPS-UHFFFAOYSA-N;149.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223920;MM223920;On1oc(F)c2cnnc1-2;KGPLZBYSJAVPOL-UHFFFAOYSA-N;143.08;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223921;MM223921;C=C(C(C)C#N)C(F)(F)F;AHOVBBFSNPOMDW-UHFFFAOYSA-N;149.12;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223922;MM223922;N#CC(F)C(=O)C(F)(F)F;KOSAAJOYNPDBQG-UHFFFAOYSA-N;155.05;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223923;MM223923;CN(C=N)C(=N)C(C)(C)C;ONRWXFPAJRTTJU-UHFFFAOYSA-N;141.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223924;MM223924;CN(C=O)C(=N)C(C)(C)C;GZSRWXSEDWGKFN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223925;MM223925;C=CN(N)C(=N)C(C)(C)C;RSPJMMATQDMXBX-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223926;MM223926;C=CN(N)C(=O)C(C)(C)C;VKPBEOJGJQHUGE-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223927;MM223927;CN(C=N)C(=O)C(C)(C)N;MKMRPIFJBDWWKW-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223928;MM223928;Nc1[nH]cc(CO)c1F;BKWAPMLXHJKLOZ-UHFFFAOYSA-N;130.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223929;MM223929;CC1NC1C(C#N)C=O;IIQLKBQHVMXXKC-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223930;MM223930;C=NNCC(CO)OC;XSZHRHHUMYYEIQ-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223931;MM223931;CC(C=O)(CO)N1CC1;GVPURIYJDCULCL-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223932;MM223932;CNc1ncc(OC)o1;MYRKVMIRSHCXFH-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223933;MM223933;CN=C1C=NC(NO)=N1;VOVABKYHPOWSJO-UHFFFAOYSA-N;126.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223934;MM223934;C=CN(O)C(=O)C(C)(C)O;SIFISEONTSUDOW-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223935;MM223935;C=C(N(C)C=N)C(C)(C)F;XCGGMVFNMPILJS-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223936;MM223936;C=C(N(N)C=O)C(C)(C)F;RFJQAMSZXFGELL-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223937;MM223937;C=C(N(O)C=O)C(C)(C)F;KIQZHVWAUDTLDJ-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223938;MM223938;CC(C)(F)C(=N)N(N)C=O;HONCAZMAIIOTIU-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223939;MM223939;CCc1cc(NC)[nH]n1;FINVJUQRESOHFX-UHFFFAOYSA-N;125.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223940;MM223940;C=CN(N)C(=O)C(C)(C)F;PXKBCGDBYOUDCP-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223941;MM223941;CC(C)(F)C(=O)N(N)C=N;CADBREJKNFJMBI-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223942;MM223942;CC(C)(F)C(=O)N(N)C=O;FDROFRBZOCJERU-UHFFFAOYSA-N;148.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223943;MM223943;C=CN(O)C(=O)C(C)(C)F;LFODZHSMLPHZMO-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223944;MM223944;C=CN(N)C(=N)C(C)(F)F;YNCSZXHEFLTICZ-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223945;MM223945;C=CN(C)C(=N)C(F)(F)F;AASMSSOQFUYVHC-UHFFFAOYSA-N;152.12;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223946;MM223946;O=C1OCC2(CO)NC12;MTQQQVPHUIIXLO-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223947;MM223947;CC1C(O)C1NCC#N;LMRBUYAWQMPJKS-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223948;MM223948;C=NN(C)C(=N)C(C)(C)F;RMQPHKVXOUUCKU-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223949;MM223949;C=NN(C)C(=O)C(C)(C)F;WZPWDFMTGIQREO-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223950;MM223950;C#CC(N)C(=C)C(C)(C)C;MLLSXUCITYZISU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223951;MM223951;C#CC(O)C(=C)C(C)(C)C;VKKDPZKOHBQWNU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223952;MM223952;C#CC(F)C(=C)C(C)(C)C;OGPLXAVINSKUOL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223953;MM223953;C#CC(O)C(=C)C(C)(C)O;JLAXRJJRGZUEMX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223954;MM223954;C#CC(F)C(=O)C(C)(F)F;MMSMMCIEXNNRRC-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223955;MM223955;C#CC(O)C(=O)C(F)(F)F;NYGVLFAKHCWGDZ-UHFFFAOYSA-N;152.07;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223956;MM223956;C#CC(F)C(=O)C(F)(F)F;TVPGTDIPWBKESJ-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223957;MM223957;C=C(CC)C(=C)C(C)(C)C;BHKQOSUBJCYAJN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223958;MM223958;C=C(CN)C(=C)C(C)(C)C;CMWXZBKKIYZQMH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223959;MM223959;C=C(CO)C(=C)C(C)(C)C;FDAGSIBBUOPXIT-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223960;MM223960;CC(C)(C)C(=O)C(=O)CO;UXJGDKFHYWWXGS-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223961;MM223961;C=C(CC)C(=C)C(C)(C)N;ZFSPYTKJRMKGRA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223962;MM223962;C=C(CO)C(=C)C(C)(C)N;UHDYCHAABCYMBO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223963;MM223963;C=C(CO)C(=C)C(C)(C)O;OCAZLLBCSQRYHQ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223964;MM223964;C=C(CC)C(=O)C(C)(C)O;DNYNWELDZIOKOT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223965;MM223965;C=C(CO)C(=O)C(C)(C)O;AQFYBYYXHGOKGZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223966;MM223966;CC(C)(O)C(=O)C(=O)CO;HXVVHYYTPILMCV-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223967;MM223967;C=C(C(=O)CO)C(C)(C)F;JYKPRAOTPYNUDG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223968;MM223968;O=C(CF)C(=O)C(F)(F)F;CSLRFERMURCYRL-UHFFFAOYSA-N;158.05;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223969;MM223969;CNC(=O)C(=O)C(C)(C)C;BLDDQHZFVPZNLF-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223970;MM223970;CCC(C)(O)CN(N)C=O;VWZSYNLCNWJGOM-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223971;MM223971;C=C(C(=N)NN)C(C)(C)F;NAGXVEXCJHILPC-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223972;MM223972;C=C(C(=N)NO)C(C)(C)F;BNLWLRYOUMMTON-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223973;MM223973;C=NNCC(C)(O)CCC;ZVYVVIXQJIHQKB-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223974;MM223974;CN=C(N)C(=O)C(C)(C)F;ANEHYHXMJNBEFD-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223975;MM223975;C=C(C(=N)NN)C(C)(F)F;NYGNDIQJOAJIKR-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223976;MM223976;C=C(C(=N)NO)C(C)(F)F;MRVDDLYGZLLJDG-UHFFFAOYSA-N;150.13;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223977;MM223977;CN=C(N)C(=O)C(C)(F)F;OAFTXVGSRXQBTJ-UHFFFAOYSA-N;150.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223978;MM223978;CNC(=O)C(=O)C(C)(F)F;RJUDMJLEZNTFGS-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223979;MM223979;C=C(C(=N)NC)C(F)(F)F;DIPLTVXYPXNDOL-UHFFFAOYSA-N;152.12;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223980;MM223980;C=C(C(=N)NN)C(F)(F)F;LSLQTCABWCCBET-UHFFFAOYSA-N;153.11;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223981;MM223981;CN=C(N)C(=O)C(F)(F)F;ZRLKTXKDWPUJHK-UHFFFAOYSA-N;154.09;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223982;MM223982;C=C(OC)C(=O)C(F)(F)F;SUIIGIGWOUBAPT-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223983;MM223983;COC(=O)C(=O)C(F)(F)F;XGLLQDIWQRQROJ-UHFFFAOYSA-N;156.06;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223984;MM223984;C=CC(=C)C(=C)C(C)(C)C;RHAYQRLWYHOXMM-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223985;MM223985;C=C(C=O)C(=C)C(C)(C)C;GHYXNMRWIVWYEO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223986;MM223986;C=C(C#N)C(=C)C(C)(C)C;CWRVEWFPFVOTBO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223987;MM223987;C=C(C(=O)C=O)C(C)(C)C;MHFXCLMNXQIGPY-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223988;MM223988;C=CC(=C)C(=C)C(C)(C)N;PFWCANWAKXCLQU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223989;MM223989;C=C(C=O)C(=C)C(C)(C)O;QUCVDBPRCVDTII-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223990;MM223990;C=CC(=O)C(=C)C(C)(C)O;ZYOCDGLOILJOBU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223991;MM223991;C=CC(=C)C(=O)C(C)(C)O;OZFXASPANUBRTR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223992;MM223992;C=C(C(=O)C=O)C(C)(C)F;PJEXMAAFGWCHIZ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223993;MM223993;CC(C)(F)C(=O)C(=O)C#N;MCFNLDYTMVMXAM-UHFFFAOYSA-N;143.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223994;MM223994;C=C(C(=O)C=O)C(C)(F)F;NWHYPKYDDDQLGQ-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223995;MM223995;O=CC(=O)C(=O)C(F)(F)F;MKZSVYPAYGJSHT-UHFFFAOYSA-N;154.04;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223996;MM223996;N#CC(=O)C(=O)C(F)(F)F;JGYUSMGRPUTGPX-UHFFFAOYSA-N;151.04;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223997;MM223997;C#CC(=C)C(=C)C(C)(C)C;JYRKJRIBIZZCOB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223998;MM223998;C#CC(=C)C(=C)C(C)(C)N;ITBJHQKCUMBKJY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM223999;MM223999;CC(O)CON=CN(C)O;VKEJDJBUCGSTCU-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224000;MM224000;C#CC(=C)C(=C)C(C)(C)F;WIMQJPDWTNYTPS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224001;MM224001;C#CC(=O)C(=O)C(C)(C)F;QGWSEQCJXCTUQX-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224002;MM224002;C#CC(=C)C(=O)C(F)(F)F;SWQXZKNNWFANDB-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224003;MM224003;CC=C(C)C(C)C(C)(C)C;PSSMIMCIKZSQIG-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224004;MM224004;CC(=CF)C(C)C(C)(C)C;RZSHRTIFBXMGMY-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224005;MM224005;CC(=CF)C(N)C(C)(C)C;UGOZYSBNQFNOCP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224006;MM224006;CC=C(C)C(C)C(C)(C)N;XYYOSSDILMNBOH-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224007;MM224007;CC(=CF)C(C)C(C)(C)N;FZKSJPFBKRDZLO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224008;MM224008;CC=C(F)C(C)C(C)(C)N;YBIIKZGPILHOFH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224009;MM224009;CC(C(F)=CF)C(C)(C)N;MVEAAFJAMDTBMU-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224010;MM224010;CC=C(C)C(N)C(C)(C)N;YUGWPRAXRJUZGW-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224011;MM224011;CC=C(F)C(N)C(C)(C)N;QIVJDVOQDXUMRZ-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224012;MM224012;CC=C(C)C(F)C(C)(C)N;XTUOXEBOBPFCIR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224013;MM224013;CC(=CF)C(F)C(C)(C)N;CHCWVMDBJHRWLE-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224014;MM224014;CC(=CF)C(C)C(C)(C)O;BAZKGIWQKQKVOP-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224015;MM224015;CC=C(C)C(N)C(C)(C)O;XPWFVWJFSXERKM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224016;MM224016;CC(C)(O)C(O)C(F)=CF;GPGQIXKRPURWGT-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224017;MM224017;CC(=CF)C(F)C(C)(C)O;LBABYCVJVZSOHQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224018;MM224018;CC(=CF)C(N)C(C)(C)F;DKPQFMZQDWEYDA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224019;MM224019;OC(C(F)=CF)C(F)(F)F;MVZPGWGKQLLCSH-UHFFFAOYSA-N;162.06;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224020;MM224020;CC(=NN)C(C)C(C)(C)C;DYALAVIYNLBHOF-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224021;MM224021;CC(=NO)C(C)C(C)(C)C;NJANWDAFHNWBOX-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224022;MM224022;CC(=NO)C(C)C(C)(C)N;JCDCOQVILIPEHS-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224023;MM224023;CC(O)C=NNCC(N)=O;DNKJVRWHFCKHQT-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224024;MM224024;CC(=NN)C(C)C(C)(C)F;NLJSNYWZEZSIFW-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224025;MM224025;C=CC(C)(O)CCON=C;CRKVLCQWCPQLJA-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224026;MM224026;CC(=NN)C(O)C(F)(F)F;SASQMDJIIKZXEL-UHFFFAOYSA-N;156.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224027;MM224027;CCC(C)(C=NN)NC=O;JDBBPFBLBXWAOM-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224028;MM224028;C=C(C(C)=CF)C(C)(C)C;LGOBAJWCCNWSQQ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224029;MM224029;CC=C(C)C(=O)C(C)(C)C;HRXCSYTWXLFFOR-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224030;MM224030;CC(=CF)C(=O)C(C)(C)O;MTUAPASLAFIJGN-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224031;MM224031;CC(=CF)C(=O)C(C)(C)F;AHHLEMABDLIUES-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224032;MM224032;CC(=CF)C(=O)C(C)(F)F;BGODYCFPIXLTTC-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224033;MM224033;C#CC(F)=CC(CF)=NO;QOHMFETXAACWBL-UHFFFAOYSA-N;145.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224034;MM224034;CCC(C)=C(C)C(C)(C)C;BZZNMKJWBUUWTN-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224035;MM224035;CN(OC(N)=O)C(=N)C=O;QJGQWKOMQZANJM-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224036;MM224036;CC(CF)=C(C)C(C)(C)C;ZWQWPVXNBDQRSI-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224037;MM224037;CC(CO)=C(C)C(C)(C)N;MBUDGBSZEVHFBU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224038;MM224038;CC(CF)=C(C)C(C)(C)N;OXDGGCVEGAVOKN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224039;MM224039;CCC(F)=C(C)C(C)(C)N;PBBSREJWRGVYII-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224040;MM224040;CC(=C(F)CN)C(C)(C)N;IHZKPVCYJMKVII-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224041;MM224041;CC(=C(F)CF)C(C)(C)N;PKABKXCYIDTTPG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224042;MM224042;CCC(C)=C(F)C(C)(C)N;FEBGKDUMBWYXGG-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224043;MM224043;CC(CF)=C(F)C(C)(C)N;IYWGZNPXMSHADY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224044;MM224044;C#CC1C(C(C)(C)O)N1C;WGVXXVSWHZTEPG-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224045;MM224045;CC(CF)=C(C)C(C)(C)O;YEFVTCXPWRWDMQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224046;MM224046;CCC(F)=C(C)C(C)(C)O;AUBZSCXVEBEGHJ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224047;MM224047;CCC(C)=C(F)C(C)(C)O;TUSMMKKRAIFRLO-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224048;MM224048;CC(CF)=C(F)C(C)(C)O;LLLLBYUAOWOESJ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224049;MM224049;CCC(F)=C(F)C(C)(C)O;CSPCPJMAJMOBBB-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224050;MM224050;CC(CN)=C(F)C(C)(C)F;QUTNKFXQMADZCO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224051;MM224051;CC(CN)=C(C)C(C)(F)F;KRPAZVVJBJLPDA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224052;MM224052;CC(CF)=C(C)C(C)(F)F;DXBNUEHZAOURFX-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224053;MM224053;CC(F)(F)C(F)=C(F)CO;ODQCQJCOQRKZFE-UHFFFAOYSA-N;158.09;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224054;MM224054;CC(CN)=C(C)C(F)(F)F;BLYXRXGXOGCNEP-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224055;MM224055;OCC(F)=C(F)C(F)(F)F;ISWRTGYCZVGZHB-UHFFFAOYSA-N;162.06;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224056;MM224056;C=CC(C)=C(C)C(C)(C)C;ZSAJRDCBVXAOLH-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224057;MM224057;CC(C=O)=C(C)C(C)(C)C;DLICTVAVQZQPET-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224058;MM224058;CC(C#N)=C(C)C(C)(C)C;MPSFOTIPZKRTJC-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224059;MM224059;C=CC(C)=C(C)C(C)(C)N;DZPRFYXPKVISJF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224060;MM224060;C=CC(C)=C(F)C(C)(C)N;YYXWKJMCSYRFFV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224061;MM224061;C#CC(CO)C(=O)C(=N)N;UXGBCUVVVVJTPA-UHFFFAOYSA-N;140.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224062;MM224062;CC(C=O)=C(C)C(C)(C)O;CKRAUEBQEPFUAE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224063;MM224063;CC(C=O)=C(N)C(C)(C)O;CQSLLAFTYUXDJH-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224064;MM224064;C=CC(C#N)=C(N)C(C)O;GAFLILSOYLDWLF-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224065;MM224065;C=CC(C)=C(F)C(C)(C)O;UOEUZUKEQMRCCG-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224066;MM224066;CC(C#N)=C(F)C(C)(C)O;WDTOHNOLKZPQPR-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224067;MM224067;CC(C)(O)C(F)=C(F)C=O;PVCCYNHMWRJPSZ-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224068;MM224068;C=CC(C)=C(C)C(C)(C)F;DNZWUOQQINOMBH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224069;MM224069;CC(C=O)=C(C)C(C)(C)F;NJJBFVFSEZCARK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224070;MM224070;CC(C#N)=C(N)C(C)(C)F;GZAMVWBYDMEODL-UHFFFAOYSA-N;142.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224071;MM224071;CC(F)(F)C(N)=C(F)C#N;FAXAAMVRWJWRCX-UHFFFAOYSA-N;150.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224072;MM224072;CC(C=O)=C(F)C(C)(F)F;BQQWSYGWGUNDGW-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224073;MM224073;CC(C=O)=C(C)C(F)(F)F;VIDLDAXJJXCFHF-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224074;MM224074;N#CC(F)=C(N)C(F)(F)F;UGUNOIUSZNWLEL-UHFFFAOYSA-N;154.07;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224075;MM224075;C#CC(C)=C(C)C(C)(C)C;ZLTSSHCNUUJMGH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224076;MM224076;C#CC(F)=C(C)C(C)(C)C;OOCQABLPHPBYMX-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224077;MM224077;C#CC(C)=C(C)C(C)(C)N;XESCEZKQCBJLBO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224078;MM224078;COC(CO)CN(N)C=O;ZXYAWGAWZZIKED-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224079;MM224079;C#CC(C)=C(F)C(C)(C)O;HJLUVKCEERMEFA-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224080;MM224080;C#CC(C)=C(C)C(C)(C)F;MKNNKUNPZFGRKH-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224081;MM224081;CCC(CC)CC(C)(C)C;QHLDBFLIDFTHQI-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224082;MM224082;CCC(CN)CC(C)(C)C;BSDYOCGMZVIERU-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224083;MM224083;COC=NOCC(=O)CF;ITSBDQZLMSNVGR-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224084;MM224084;CC(C)(C)CC(CN)CN;NWBCLVTWFZPVAA-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224085;MM224085;CC(C)(C)CC(CN)CO;VMJNBUDBCZYBJA-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224086;MM224086;CC(C)(C)CC(CO)CO;BWMWJUZQBRXRNM-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224087;MM224087;CCC(CC)CC(C)(C)N;YCZBLJMQRVZZEE-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224088;MM224088;CCC(CN)CC(C)(C)N;BNMREWBRXOELIA-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224089;MM224089;CCC(CO)CC(C)(C)N;QUFQKICEUNRSKE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224090;MM224090;CCC(CF)CC(C)(C)N;GFTNAGYSVYQGGN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224091;MM224091;CC(C)(N)CC(CN)CN;ZVOXATQFJOWPGC-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224092;MM224092;CC(C)(N)CC(CO)CO;HQIUSNQJDWJDGA-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224093;MM224093;CC(C)(N)CC(CF)CF;XDRXCJVSWFEOSU-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224094;MM224094;NN=COC(CO)CCO;UFJLTTBGBKRGJX-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224095;MM224095;CCC(CF)CC(C)(C)O;AQKLMXXQQZPVQR-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224096;MM224096;CC(C)(O)CC(CN)CO;APQRCMDZLGQULQ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224097;MM224097;CC(C)(O)CC(CN)CF;KPFLVMGTNCNLAA-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224098;MM224098;CC(C)(O)CC(CF)CF;DLAVNFUESOEABY-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224099;MM224099;CCC(CC)CC(C)(C)F;XULMRFBPYXRYFW-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224100;MM224100;CCC(CN)CC(C)(C)F;HMPRLCJTIMCNLE-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224101;MM224101;CCC(CO)CC(C)(C)F;VZNCMUCGUZGCEZ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224102;MM224102;CCC(CF)CC(C)(C)F;LAVPWLVRKKGJCJ-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224103;MM224103;CC(C)(F)CC(CN)CF;DMWWHXHCUFTDJH-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224104;MM224104;CC(C)(F)CC(CO)CO;GQRYUDUNEDCSDT-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224105;MM224105;CC(C)(F)CC(CF)CF;JQFGFYNAZCRSFW-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224106;MM224106;CCC(CC)CC(C)(F)F;ARIIUEUBXQKPJU-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224107;MM224107;CC(F)(F)CC(CN)CN;RCOKBCPFDOKUOS-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224108;MM224108;CC(F)(F)CC(CN)CF;NZEVIYJDBRKHTN-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224109;MM224109;CC(F)(F)CC(CF)CF;YBDOVVQNYRXYOW-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224110;MM224110;CCC(CC)CC(F)(F)F;RRVVXAOPWLPIDV-UHFFFAOYSA-N;154.18;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224111;MM224111;NCC(CF)CC(F)(F)F;NPCKNTCORVKOJX-UHFFFAOYSA-N;159.13;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224112;MM224112;FCC(CF)CC(F)(F)F;QBOVNZIASOBFJM-UHFFFAOYSA-N;162.1;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224113;MM224113;CNC(CN)CC(C)(C)C;QMCVZMNCQMMTKB-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224114;MM224114;CNC(CO)CC(C)(C)C;DMGLTEWVNWMGSZ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224115;MM224115;CNC(CO)CC(C)(C)N;AWDWDQBMUYCNCX-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224116;MM224116;CNC(CO)CC(C)(C)O;DSHMTSKCCOHUQV-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224117;MM224117;CCC(CC(C)(C)F)NC;UIZRJALABTYQMI-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224118;MM224118;CNC(CN)CC(C)(C)F;NCKOGIPIBOTNKS-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224119;MM224119;CNC(CF)CC(C)(C)F;PUXDUOAMSIFFNB-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224120;MM224120;COC(CO)CC(C)(C)C;RCGQHCMTOOPEDX-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224121;MM224121;COC(CF)CC(C)(C)C;KATKNPJKLVPZJN-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224122;MM224122;COC(CN)CC(C)(C)N;CQUHYJTXIVCCCX-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224123;MM224123;COC(CN)CC(C)(C)O;PSGUFQQHUBYYFB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224124;MM224124;COC(CO)CC(C)(C)O;IQBYLRANIBVSPS-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224125;MM224125;COC(CO)CC(C)(C)F;PWMGGLGWQQXQTL-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224126;MM224126;COC(CO)CC(C)(F)F;HFWXIWGURXMFPF-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224127;MM224127;COC(CO)CC(F)(F)F;YCEUMXBTWHMBFU-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224128;MM224128;COC(CC(C)(C)C)OC;XQXASMBOOKNENN-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224129;MM224129;COC(CC(C)(C)F)OC;QASKKYVLAHTFFP-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224130;MM224130;COC(CC(C)(F)F)OC;UDGKOEFSKWPCPM-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224131;MM224131;COC(CC(F)(F)F)OC;VMGIQGADPKWJFA-UHFFFAOYSA-N;158.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224132;MM224132;CCC(CC)NC(C)(C)C;SZAGYXMYNOXHSN-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224133;MM224133;CCC(CN)NC(C)(C)C;UJIQCZQPCMJGGC-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224134;MM224134;CCC(CO)NC(C)(C)C;LBRXSQGLCWBDOS-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224135;MM224135;CCC(CF)NC(C)(C)C;AHEKTRLZJMJZSE-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224136;MM224136;CC(C)(C)NC(CN)CN;GTYBOHNUYIILGW-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224137;MM224137;CC(C)(C)NC(CN)CO;WDNDORHPTAVAPE-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224138;MM224138;CC(C)(C)NC(CN)CF;BVWWFXOWRLWPOO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224139;MM224139;CCC(CC)OC(C)(C)C;MKIJPGLGJFUOBQ-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224140;MM224140;CCC(CN)OC(C)(C)C;ONVLZNFMXCVIKU-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224141;MM224141;CCC(CO)OC(C)(C)C;HOFBOABHMRNQJZ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224142;MM224142;CCC(CF)OC(C)(C)C;MUDSDTROBRLCIA-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224143;MM224143;CC(C)(C)OC(CN)CN;LBIKOBDCAAXMNP-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224144;MM224144;CC(C)(C)OC(CO)CF;IDXUVKHFNVNQOX-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224145;MM224145;COC(CO)OC(C)(C)C;VQQOWTDVAWMJAR-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224146;MM224146;CCN(CC)CC(C)(C)C;TYMAWXRCUDNHPS-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224147;MM224147;CCN(CC)CC(C)(C)N;OAYLAXOCNOCLPZ-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224148;MM224148;CCN(CC)CC(C)(C)O;UEXGTJCEUMLGFU-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224149;MM224149;CCN(CC)CC(C)(C)F;SQYVHJNRVXVZFR-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224150;MM224150;CCN(CC)CC(F)(F)F;IDFZOWUIGRFEIB-UHFFFAOYSA-N;155.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224151;MM224151;C=CC(CN)CC(C)(C)C;ZTKLHBMQDNRUCA-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224152;MM224152;N#CC=CN(C=N)C(N)=O;NCZAQQTXTSAEBO-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224153;MM224153;CC(C)(C)CC(C=O)CO;PUWLJMDPQAHPLP-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224154;MM224154;CC(C)(C)CC(C#N)CO;UJLCOOODIIEOQK-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224155;MM224155;C=CC(CF)CC(C)(C)C;GGVWLNOBJOSANT-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224156;MM224156;C=CC(CF)CC(C)(C)N;FZILIIHMMQHEOD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224157;MM224157;C#CC(=NCC=O)N(C)O;NOAZSSUFKJDEFQ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224158;MM224158;CCC(C=O)CC(C)(C)O;QPPSQVPMRCXPNK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224159;MM224159;CCC(C#N)CC(C)(C)O;UWNFCRSPXWNMGP-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224160;MM224160;C=CC(CO)CC(C)(C)O;GEUJMWSKPLENFG-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224161;MM224161;CC(C)(O)CC(C=O)CO;VJSIAYXACZHPSH-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224162;MM224162;CC(C)(O)CC(C#N)CO;DWSHNMBQJOTQIM-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224163;MM224163;C=CC(CF)CC(C)(C)O;PPPJLWUYFHDVSV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224164;MM224164;CC(C)(O)CC(C#N)CF;LVWDKGCZDJIGPD-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224165;MM224165;C=CC(CC)CC(C)(C)F;FTBRITUNUFHABS-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224166;MM224166;CCC(C#N)CC(C)(C)F;SNIHUEYDVPGMCY-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224167;MM224167;C=CC(CN)CC(C)(C)F;XQXGGBSYLUOVFA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224168;MM224168;C=CC(CO)CC(C)(C)F;NRCVVIKKYCOCMI-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224169;MM224169;CC(C)(F)CC(C#N)CO;RNXAEDRABQJBTJ-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224170;MM224170;C=CC(CF)CC(C)(C)F;DQJYUTKBDHMXAL-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224171;MM224171;CC(C)(F)CC(C=O)CF;VWMWVFQEWIXWEO-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224172;MM224172;CC(C)(F)CC(C#N)CF;BCVVPORWELREHI-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224173;MM224173;CCC(C=O)CC(C)(F)F;SDFMIUHSRPBNOG-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224174;MM224174;CCC(C#N)CC(C)(F)F;VFIKWYUUYAGANV-UHFFFAOYSA-N;147.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224175;MM224175;C=CC(CF)CC(C)(F)F;JKKFVGZORCNHOM-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224176;MM224176;CC(F)(F)CC(C=O)CF;MOXLIESGUPPJCB-UHFFFAOYSA-N;154.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224177;MM224177;C=CC(CN)CC(F)(F)F;RPHFKXDPAWSLQX-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224178;MM224178;C=CC(CO)CC(F)(F)F;GILBVJUJPVBGHL-UHFFFAOYSA-N;154.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224179;MM224179;C=CC(CF)CC(F)(F)F;NBBSJNWSANDBNV-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224180;MM224180;O=CC(CF)CC(F)(F)F;SRXBGVIMVWPRPG-UHFFFAOYSA-N;158.09;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224181;MM224181;C=CC(CC(C)(C)O)NC;NUDQTLHEMKNSOK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224182;MM224182;C=CC(CC(C)(C)F)NC;LPKKESCTOFBQJN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224183;MM224183;C=CC(CC(C)(F)F)NC;QEBAOIYPFXPIIQ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224184;MM224184;CNC(C#N)CC(C)(F)F;ZHDBYUHJBZKGEP-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224185;MM224185;CNC(C#N)CC(F)(F)F;CTKCFYIXTSROQM-UHFFFAOYSA-N;152.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224186;MM224186;COC(C#N)CC(C)(C)C;HQMSICDJENWTMK-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224187;MM224187;COC(C=O)CC(C)(C)O;QFEHQANOGRCGFQ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224188;MM224188;C=CC(CC(C)(C)F)OC;CKOZCUSIYLSCAT-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224189;MM224189;COC(C#N)CC(C)(C)F;UUJWNXXDNWPIKO-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224190;MM224190;COC(C#N)CC(C)(F)F;MAICFVBUNUTIQH-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224191;MM224191;C=CC(CC(F)(F)F)OC;RPNBJGJKBAAWBB-UHFFFAOYSA-N;154.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224192;MM224192;COC(C=O)CC(F)(F)F;VVLAIMNXFOLUJN-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224193;MM224193;COC(C#N)CC(F)(F)F;UIGMIFXXDRBMMJ-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224194;MM224194;C=CC(CC)NC(C)(C)C;XTLYLAHLOFCNEX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224195;MM224195;CCC(C#N)NC(C)(C)C;XCYYQACGIBEVAP-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224196;MM224196;C=CC(CN)NC(C)(C)C;KIRIXARKNZWGKP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224197;MM224197;C=CC(CO)NC(C)(C)C;AJIXFOAKFBULBR-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224198;MM224198;C=CC(CF)NC(C)(C)C;HOLCTTCPYQCURA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224199;MM224199;CC(C)(C)NC(C#N)CF;XMTNKUXEPWCIQP-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224200;MM224200;C=CC(CC)OC(C)(C)C;KHAVIHIGROKYSU-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224201;MM224201;CCC(C=O)OC(C)(C)C;VHAITBYNJXBPRS-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224202;MM224202;CCC(C#N)OC(C)(C)C;JWGRQLNMFFOKBT-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224203;MM224203;C=CC(CO)OC(C)(C)C;YWCDBRHDPDAVIG-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224204;MM224204;CC(C)(C)OC(C=O)CO;PBXMCHBXDZASLP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224205;MM224205;CC(C)(C)OC(C#N)CO;BXYFNKYPPWLQPS-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224206;MM224206;C=CC(CF)OC(C)(C)C;SVKDUJKMBACAQP-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224207;MM224207;CC(C)(C)OC(C#N)CF;AKPPRCBATGXMTQ-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224208;MM224208;C=CC(OC)OC(C)(C)C;IMROCIHYSHZDLG-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224209;MM224209;COC(C#N)OC(C)(C)C;LPQJQOKQYGXQIA-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224210;MM224210;CCN(C=N)CC(C)(C)C;NLPPOKCPYDZFSN-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224211;MM224211;CCN(C=O)CC(C)(C)C;OZECRYMNCKDYPA-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224212;MM224212;CCN(C=N)CC(C)(C)F;ZBGRKMZYHYAPQP-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224213;MM224213;CCN(C=O)CC(C)(C)F;JLIFOTDOYNZGGY-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224214;MM224214;CCN(C=N)CC(F)(F)F;MCEZJHXREFLMJK-UHFFFAOYSA-N;154.14;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224215;MM224215;C=NN(CC)CC(C)(C)C;KBIXDLJLASOBEW-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224216;MM224216;C=NN(CC)CC(C)(C)F;BBZZNWUQTWGJGV-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224217;MM224217;CNN(C=O)CC(C)(C)C;DTFWFRPKCHYLHR-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224218;MM224218;CNN(C=N)CC(C)(C)N;CYQRBLZUUUFJEV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224219;MM224219;CNN(C=O)CC(C)(C)N;FPZDEMUHQPIVIQ-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224220;MM224220;CNN(C=N)CC(C)(C)O;BPZBSIOZOCGZLU-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224221;MM224221;CC(C#N)NC1C(C)C1O;JFFPTINPUCQKHO-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224222;MM224222;CNN(C=N)CC(C)(C)F;CJKTZXXQTFNCIC-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224223;MM224223;CNN(C=O)CC(C)(C)F;ONUPIPHGONAOEF-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224224;MM224224;CNN(C=N)CC(C)(F)F;XOUIGFWRJKXPJI-UHFFFAOYSA-N;151.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224225;MM224225;CON(C=O)CC(C)(C)C;IRBYLMPDPVZQLA-UHFFFAOYSA-N;145.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224226;MM224226;CON(C=N)CC(C)(C)N;NTNCOZUZIQPDEB-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224227;MM224227;CON(C=O)CC(C)(C)F;JYNILSREVIRJJJ-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224228;MM224228;CON(C=O)CC(C)(F)F;NZDJIJMFAVVBEW-UHFFFAOYSA-N;153.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224229;MM224229;CCN(C=N)OC(C)(C)C;CUBVVTMDVRODQR-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224230;MM224230;CCN(C=O)OC(C)(C)C;NRRGMHNZSPAHIY-UHFFFAOYSA-N;145.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224231;MM224231;C#CC(CC)CC(C)(C)C;WJSWLOIUNCJEEH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224232;MM224232;C#CC1C2CC(C)(O)CN12;LSLOJCUQOCLOLN-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224233;MM224233;C#CC(CF)CC(C)(C)C;PRYYFKQUILHFCR-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224234;MM224234;C#CC(CC)CC(C)(C)N;CYSPAWAWEGCHOT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224235;MM224235;C#CC(CF)CC(C)(C)N;HBVYDAUBYHRKKJ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224236;MM224236;C#CC(CO)NN=CNO;SCQYSGJKXOYWDK-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224237;MM224237;C#CC(CF)CC(C)(C)O;VUMHVQJGAIHMFL-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224238;MM224238;C#CC(CN)CC(C)(C)F;XFDFHCDOPPDKRH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224239;MM224239;C#CC(CF)CC(C)(C)F;ZJAFETNUYSFAHY-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224240;MM224240;C#CC(CC)CC(C)(F)F;VQKFZBGVWZRZLO-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224241;MM224241;C#CC(CF)CC(C)(F)F;SMWJOCFKKVOEHO-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224242;MM224242;C#CC(CC(C)(C)C)NC;XHUCUYARBDJEII-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224243;MM224243;C#CC(CC(C)(F)F)NC;TYTRMZDMBLCRKX-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224244;MM224244;C#CC(CC(C)(C)N)OC;WLWNLCNLEOWVEY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224245;MM224245;C#CC(CC(C)(C)O)OC;CLCGRHYVZMSSLD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224246;MM224246;C#CC(CC(C)(F)F)OC;AXWWHKPJAIQUMO-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224247;MM224247;C#CC(CC(F)(F)F)OC;IZLSXNGNWVJYBT-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224248;MM224248;C#CC(CC)OC(C)(C)C;PHYSFASUITZKJG-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224249;MM224249;C#CC(CN)OC(C)(C)C;VXPCMNINUGJXCF-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224250;MM224250;C#CC(CO)OC(C)(C)C;WAVMPBCFFAANDD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224251;MM224251;C#CC(CF)OC(C)(C)C;ZXEIMQLMAQQOIB-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224252;MM224252;C#CC(OC)OC(C)(C)C;XZOYCKZPJBSHAS-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224253;MM224253;C=CC(C=C)CC(C)(C)C;NRGRFQZZUVZRBU-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224254;MM224254;C=CC(C#N)CC(C)(C)C;DKAGHTXEGKMHTJ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224255;MM224255;CC(C)(C)CC(C#N)C#N;BNBTZMHFJCIQJA-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224256;MM224256;C=CC(C=C)CC(C)(C)N;GNFMODFFGZXROL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224257;MM224257;OCCON=C(CF)NO;BLJNFRPHYXWVEJ-UHFFFAOYSA-N;152.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224258;MM224258;C=CC(C=O)CC(C)(C)O;GFCVUBAIFOHCSA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224259;MM224259;C=CC(C#N)CC(C)(C)O;YYUVOKJAIMJCEA-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224260;MM224260;C=CC(C=C)CC(C)(C)F;KKHFDEJTGSQKAG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224261;MM224261;C=CC(C=O)CC(C)(C)F;SRVDJLUECXZRNC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224262;MM224262;C=CC(C#N)CC(C)(C)F;JYIIRLRPAKUOKY-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224263;MM224263;CC(C)(F)CC(C#N)C#N;XVWJOSFYPGBLTI-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224264;MM224264;C=CC(C=O)CC(C)(F)F;AASDYIMEKSJZSN-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224265;MM224265;C=CC(C=C)CC(F)(F)F;MBKICBJLTOOJPR-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224266;MM224266;C=CC(C=O)CC(F)(F)F;JMYMRIIFMRXJDR-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224267;MM224267;C=CC(C#N)CC(F)(F)F;OITCQFPDTRTTEG-UHFFFAOYSA-N;149.12;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224268;MM224268;N#CC(C=O)CC(F)(F)F;IGDKXZDQMLUVGR-UHFFFAOYSA-N;151.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224269;MM224269;C=CC(C=C)NC(C)(C)C;MBZIUAJTTDFGJE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224270;MM224270;C=CC(C#N)NC(C)(C)C;SAWFWAWYWIKFBF-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224271;MM224271;C#CC(=NC=NOC)NO;ARYJQAKVWKBDRW-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224272;MM224272;C=CC(C=C)OC(C)(C)C;BAMDCFPNGFPCQN-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224273;MM224273;C=CC(C=O)OC(C)(C)C;PRGJLJCAUWEOQF-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224274;MM224274;C=CC(C#N)OC(C)(C)C;FASPJVCIOZMWRL-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224275;MM224275;CC(C)(C)OC(C=O)C=O;WIXBZUABVXGHFA-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224276;MM224276;CC(C)(C)OC(C#N)C=O;HIHWQSMVZGGHHF-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224277;MM224277;CC(C)(C)OC(C#N)C#N;DGZGCGRMHUEJDU-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224278;MM224278;C=CN(C=N)CC(C)(C)C;IVDKPIIKSAVIGE-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224279;MM224279;C=CN(C=O)CC(C)(C)C;XBZLVBCJCBHALQ-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224280;MM224280;CC(C)(C)CN(C=N)C=N;FLKVTAMFCKJLGG-UHFFFAOYSA-N;141.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224281;MM224281;CC(C)(C)CN(C=N)C=O;YZWSJFRYMXFYRN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224282;MM224282;C=CN(C=O)CC(C)(C)N;WGYFNYVZFQWCIO-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224283;MM224283;CC(C)(N)CN(C=N)C=O;GZNDMJRXBBTDEG-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224284;MM224284;CC(C)(N)CN(C=O)C=O;QHTWGINDHSMXII-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224285;MM224285;OCC1(NN=CNO)CC1;YIRSWCKWLGXIOF-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224286;MM224286;CC(C)(O)CN(C=O)C=O;AWOZDHFICLPJOB-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224287;MM224287;C=CN(C=N)CC(C)(C)F;KIJMUEZCNVZBCR-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224288;MM224288;CC(C)(F)CN(C=N)C=N;JHUXGBANDGHLIH-UHFFFAOYSA-N;145.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224289;MM224289;C=NN(C=N)CC(C)(C)C;KDBNKDIHXHRXKV-UHFFFAOYSA-N;141.22;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224290;MM224290;N=C1N=C(NO)N=CC1=O;PYXRQGBKSLXOFW-UHFFFAOYSA-N;140.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224291;MM224291;CC=Cc1cnc(NC)o1;CFSQURJTTKRNSZ-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224292;MM224292;C=NN(C=N)CC(C)(C)F;HNVSOXXCGROBGP-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224293;MM224293;C=CN(C=N)OC(C)(C)C;CRFPYXYSSMTDLM-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224294;MM224294;C=CN(C=O)OC(C)(C)C;PEDUOMIKHGUESX-UHFFFAOYSA-N;143.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224295;MM224295;C#CC(C=C)CC(C)(C)C;KUDNHXOJLHRQOI-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224296;MM224296;C#CC(C#N)CC(C)(C)C;HNDJBDBTPPNCBU-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224297;MM224297;C#CC(C=C)CC(C)(C)N;OYZQRZHBONLBMJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224298;MM224298;CCN=C1C=NC(NO)=N1;BASKPIMWFNYLMH-UHFFFAOYSA-N;140.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224299;MM224299;C#CC(C=C)CC(C)(C)F;HBPCKEVFFRJAHE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224300;MM224300;C#CC(C=O)CC(C)(C)F;KFHMRAUZTBBRNA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224301;MM224301;C#CC(C#N)CC(C)(C)F;AWAFBHQEGOJDBJ-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224302;MM224302;C#CC(C#N)CC(C)(F)F;ICLAYCONCJZNPP-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224303;MM224303;C#CC(C=C)CC(F)(F)F;OHRHTJDRSLYCSI-UHFFFAOYSA-N;148.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224304;MM224304;C#CC(C=O)CC(F)(F)F;WIUMMKCCPPSPPU-UHFFFAOYSA-N;150.1;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224305;MM224305;C#CC(C#N)CC(F)(F)F;COSKTRVASQDLNE-UHFFFAOYSA-N;147.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224306;MM224306;C#CC(C=C)NC(C)(C)C;CZOFTQPLKJFJOS-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224307;MM224307;C#CC(C=C)OC(C)(C)C;XMBPTIMOBHIGGK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224308;MM224308;C#CC(C=O)OC(C)(C)C;OESMIPWAEYSBBD-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224309;MM224309;C#CC(C#N)OC(C)(C)C;BDFNETQSKWGYFA-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224310;MM224310;C#CC(C#C)CC(C)(C)C;OQDKKSVJOCBHTA-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224311;MM224311;C#CC(C#C)CC(C)(C)N;MCCWYIKWUQHEBX-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224312;MM224312;O=CC=C1C=NC(NO)=N1;BSGGDSOOPLZYLW-UHFFFAOYSA-N;139.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224313;MM224313;C#CC(C#C)CC(C)(C)F;QFZDBJSVOCPURE-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224314;MM224314;C#CC(C#C)CC(F)(F)F;HZMHIAQRBKCLOI-UHFFFAOYSA-N;146.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224315;MM224315;C#CC(C#C)OC(C)(C)C;RPRQTSBBCAORHV-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224316;MM224316;CC=C(CC)CC(C)(C)C;FVIKWENBWINKJF-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224317;MM224317;CC=C(CN)CC(C)(C)C;NMHYDMKNGJAPLM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224318;MM224318;N#CC=C1C=NC(NO)=N1;PVAJPOACBFCUKN-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224319;MM224319;CC=C(CF)CC(C)(C)C;PHWCOTQOQRSHTK-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224320;MM224320;CC=C(CC)CC(C)(C)N;FDBSTZICANLWQS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224321;MM224321;CCC(=CF)CC(C)(C)N;ZRKJENYAWPJKOF-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224322;MM224322;CC=C(CN)CC(C)(C)N;OZKDXBQGUNONEN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224323;MM224323;CC=C(CO)CC(C)(C)N;UZLMWBAIKUCXHH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224324;MM224324;CC=C(CF)CC(C)(C)N;KWTIFMYWIDKRBC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224325;MM224325;CC(C)(N)CC(=CF)CF;BUUKDGXPKXNMON-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224326;MM224326;COC12CC1N=C(NN)O2;TZBFNRPLKYJSHC-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224327;MM224327;CC=C(CN)CC(C)(C)O;WOVOZKSZJJGILK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224328;MM224328;CC=C(CF)CC(C)(C)O;IIWONGUDOPOGDQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224329;MM224329;CC(C)(O)CC(=CF)CF;RFKXWXODGWMMKK-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224330;MM224330;CC=C(CC)CC(C)(C)F;VALPFQVFVGRFQF-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224331;MM224331;CC=C(CN)CC(C)(C)F;RUBGKJPDVOZSFZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224332;MM224332;CC(C)(F)CC(=CF)CN;KDGBICMYJNPTPA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224333;MM224333;CC=C(CC)CC(C)(F)F;WYCPRIIZGPFPCS-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224334;MM224334;CC=C(CN)CC(C)(F)F;IIBPLOHEQCGTDV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224335;MM224335;CC(F)(F)CC(=CF)CN;NTIOOKQZTPZICJ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224336;MM224336;CC=C(CC)CC(F)(F)F;ISHFCKIVOFRUIQ-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224337;MM224337;CC=C(CN)CC(F)(F)F;GQMNTJHBYVZTRX-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224338;MM224338;CCC(CC(C)(C)C)=NN;WUUOAPWHMUTVLP-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224339;MM224339;CCC(CC(C)(C)C)=NO;DNXNAXUFSDEJSZ-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224340;MM224340;COC(CO)C1C(C)N1C;OTOWALRUHUVEDK-UHFFFAOYSA-N;145.2;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224341;MM224341;CCC(CC(C)(C)O)=NO;JHLDPXZGUPYCRB-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224342;MM224342;CCC(CC(C)(C)F)=NN;MZIKVWGXECTPQG-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224343;MM224343;CCC(CC(C)(C)F)=NO;FKOWLCBNMGIVRL-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224344;MM224344;CCC(CC(C)(F)F)=NN;AOHYPVSEZLLHHL-UHFFFAOYSA-N;150.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224345;MM224345;CCC(CC(C)(F)F)=NO;RXQVMQDWDPHJJM-UHFFFAOYSA-N;151.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224346;MM224346;COC(C=NO)C(F)(F)F;PNYOFAHIBHMVOA-UHFFFAOYSA-N;157.09;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224347;MM224347;CN=C(CC(C)(C)O)NO;ZDSVFMQEABVMAF-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224348;MM224348;CN=C(CC(C)(C)F)NC;BQDMWNKOQKTEAF-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224349;MM224349;NN=C1C=CC(CO)OC1;UBXKBJWAMGYEPU-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224350;MM224350;CC(C)(F)CC(=NO)NO;MMDFBIOWCKKCBF-UHFFFAOYSA-N;150.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224351;MM224351;OCC=NOCCO;RDOSBVXBLSVCKR-UHFFFAOYSA-N;119.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224352;MM224352;CC=C(CC(C)(C)C)OC;KVIYRLCZPFQTAC-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224353;MM224353;CC=C(CC(C)(C)O)OC;UQOQUZJUSVAADT-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224354;MM224354;CC=C(CC(C)(C)F)OC;NTKKHXIEHYOJOZ-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224355;MM224355;CC=C(CC(C)(F)F)OC;UWGDNMWBERCUBX-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224356;MM224356;C=NNCC(C)(O)CC;PQSQSNKEINHFJC-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224357;MM224357;CC(O)C=NN(C)C=O;OXNDXQIWQPLFNR-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224358;MM224358;COC(CC(C)(C)F)=NO;TWRHZQRZDLWNDJ-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224359;MM224359;C#CC1NC1C(C)(C)O;XHWZVHJSKPBVRM-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224360;MM224360;CC(C#N)=C(N)C(C)O;PWZQNAUAAQXRSZ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224361;MM224361;CCc1nnn(CC)c1O;CFZGNMHUTKHNSS-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224362;MM224362;CCC(=NC)NC(C)(C)C;AIADMUFEHCDVCN-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224363;MM224363;CN=C(CO)NC(C)(C)C;FFHRIMREWOYVNH-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224364;MM224364;CN=C(NC)NC(C)(C)C;KTHFBVXMTDGYPE-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224365;MM224365;CNC(=NN)NC(C)(C)C;CZNAFCXKMJGEKR-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224366;MM224366;CN=C(NN)NC(C)(C)C;CZNAFCXKMJGEKR-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224367;MM224367;CN=C(NO)NC(C)(C)C;BQFYSUYCIHSUDD-UHFFFAOYSA-N;145.21;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224368;MM224368;CC=C(CC)OC(C)(C)C;HMKXUPNNEPOKNW-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224369;MM224369;CC=C(CN)OC(C)(C)C;QGOGNXPJFKHVIU-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224370;MM224370;CC(C)(C)OC(=CF)CN;XDOPSCATFGTLMD-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224371;MM224371;CC=C(CO)OC(C)(C)C;RTPRJTCWHLMPMV-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224372;MM224372;CC(C)(C)OC(=CF)CO;RTIVPMCGVVPIRV-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224373;MM224373;C=C(C)c1cnc(N)o1;LQBVUMXTGTUQTK-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224374;MM224374;CC1CN1C1(C)CC1O;JJDJJNWPPYJVRO-UHFFFAOYSA-N;127.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224375;MM224375;CN=C(NC)OC(C)(C)C;RMMOFLPNJGTAJR-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224376;MM224376;CC1=C(N)COC1=NN;HWIYXMIEQSCXML-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224377;MM224377;C=C1OCC2(CO)NC12;QCKFEXIVVSCLOK-UHFFFAOYSA-N;127.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224378;MM224378;N=C1OCC2(CO)CN12;BGJDLNUETTXQAW-UHFFFAOYSA-N;128.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224379;MM224379;CC(C)(CO)NN=CNO;XLHFTMWOEHUIMT-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224380;MM224380;CC1(NC(=N)C#N)CC1O;RYHLRYNAPSJOQS-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224381;MM224381;COC(=N)NN=CC(C)O;SFVRSIDGKHJCSS-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224382;MM224382;COC(=NO)OC(C)(C)C;DERPTEMKSJFBPD-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224383;MM224383;C=CC(=CC)CC(C)(C)C;ICZJYNOEOZVICQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224384;MM224384;CC=C(C=O)CC(C)(C)C;CNJTWMRNWMZXIZ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224385;MM224385;CC=C(C#N)CC(C)(C)C;KCKUGAVOAMGNCU-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224386;MM224386;CC(C)(C)CC(C=O)=CN;LLWBXLYFKAIGJY-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224387;MM224387;CC(C)(C)CC(C#N)=CN;VNTHVIRALLLDED-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224388;MM224388;CC(C)(C)CC(C#N)=CF;IRPUGYYWZWAXGX-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224389;MM224389;C=CC(=CC)CC(C)(C)N;LLXXUGAPWWUUKW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224390;MM224390;N=C(NO)C(F)=CC(N)=O;FQLRIXBFPTVOKC-UHFFFAOYSA-N;147.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224391;MM224391;CC=C(C=O)CC(C)(C)O;WKCJOPHLZYSHLD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224392;MM224392;CC=C(C#N)CC(C)(C)O;ZWAADJDVXPYVIJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224393;MM224393;CC(C)(O)CC(C=O)=CN;HSIRTECZPXKBQY-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224394;MM224394;CC(C)(O)CC(C=O)=CF;YEYTVAIJOSCIHK-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224395;MM224395;CC(C)(O)CC(C#N)=CF;NDJCGVKTSBGGJR-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224396;MM224396;C=CC(=CC)CC(C)(C)F;ZDHJLXLZQIAEOM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224397;MM224397;C=CC(=CF)CC(C)(C)F;ICOVTLMBFWDFGS-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224398;MM224398;CC=C(C=O)CC(C)(C)F;QKXJRRLTEBKDKD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224399;MM224399;CC=C(C#N)CC(C)(C)F;OMFGPXHAOBTQCE-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224400;MM224400;CC(C)(F)CC(C#N)=CN;XGVFLBIEBBWGSX-UHFFFAOYSA-N;142.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224401;MM224401;CC(C)(F)CC(C=O)=CF;OVRPUGIBWIIVSP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224402;MM224402;CC(C)(F)CC(C#N)=CF;KFANCVJHDHOERK-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224403;MM224403;C=CC(=CC)CC(C)(F)F;LGUBXCSGEOYQHP-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224404;MM224404;CC=C(C#N)CC(C)(F)F;MELOHQKLJODGLN-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224405;MM224405;CC#CC#CC(N)C(F)F;OEEAHIIWVDBLLW-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224406;MM224406;CC(F)(F)CC(C#N)=CF;KXGSOXFGXODNTQ-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224407;MM224407;C=CC(=CC)CC(F)(F)F;YQBOLPLRGGQWKP-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224408;MM224408;CC=C(C#N)CC(F)(F)F;RUCWFHPAXKPOBQ-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224409;MM224409;C=CC(CC(C)(C)C)=NN;ZZWQSJZKSAEJNJ-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224410;MM224410;C=CC(CC(C)(C)O)=NO;ORVCUNRNLAJWJQ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224411;MM224411;Oc1cc(CF)nn1O;OWLBWCLJJJCOTJ-UHFFFAOYSA-N;132.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224412;MM224412;C=CC(CC(C)(C)F)=NN;KFJACXDBHKTDBS-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224413;MM224413;Cn1ncc(O)c1F;QEFSQOPGIIWLFI-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224414;MM224414;CCc1nnn(N)c1O;HTPBHONRUAWRDS-UHFFFAOYSA-N;128.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224415;MM224415;C=Nn1[nH]c(=N)n(N)c1=O;RVHPFSHXQIVGCT-UHFFFAOYSA-N;142.12;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224416;MM224416;C=CC(=NC)NC(C)(C)C;BYEQYVULQPZGLX-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224417;MM224417;C=CC(=NC(C)(C)C)NN;FALHEHODWISHRQ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224418;MM224418;CN=C(C=O)NC(C)(C)C;VWOVRTBESXBQRA-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224419;MM224419;CN=C(C#N)NC(C)(C)C;JUNOTJUBFQTWMH-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224420;MM224420;C=CC(=CC)OC(C)(C)C;PJMJDFHOZQBGOA-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224421;MM224421;C=CC(=CF)OC(C)(C)C;XBHHVNHXQKVYLC-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224422;MM224422;CC=C(C=O)OC(C)(C)C;HYWIXIVVVQXHOI-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224423;MM224423;CC=C(C#N)OC(C)(C)C;KSHZETKEYGPVRY-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224424;MM224424;CC(C)(C)OC(C#N)=CN;UKOBLRFLFDZGBL-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224425;MM224425;CC(C)(C)OC(C=O)=CF;GJBXPPQDMZYGJE-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224426;MM224426;CC(C)(C)OC(C#N)=CF;JGWHXIWFRHCKQL-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224427;MM224427;C#CCC(F)C(=O)N(C)N;XPSSVUGASAAAQW-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224428;MM224428;C=CC(=NO)OC(C)(C)C;ZXRTZNWRFZGJAK-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224429;MM224429;N#CCc1n[nH]c(=N)o1;DTXFXKMIEUOGLZ-UHFFFAOYSA-N;124.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224430;MM224430;C#CC(=CC)CC(C)(C)C;ZAHNJUSLKKDRFK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224431;MM224431;C#CC(=CF)CC(C)(C)C;QHPCLLQORGQULF-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224432;MM224432;C#CC(=CC)CC(C)(C)N;XKOCSRHTPRMYRW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224433;MM224433;C#CC(=CF)CC(C)(C)N;LXWSGEGDYLOLEX-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224434;MM224434;C=C1CN(O)C(=N)C=C1F;IBLHHVLAHWOSBP-UHFFFAOYSA-N;142.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224435;MM224435;C#CC(=CF)CC(C)(C)O;XSJDCYOXCJGNLM-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224436;MM224436;C#CC(=CC)CC(C)(C)F;BCLSXFLSQAPTKS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224437;MM224437;C#CC(=CF)CC(C)(C)F;JLLRFTYZRWTCIY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224438;MM224438;C#CC(=CC)CC(C)(F)F;NGRURROCBDEOBU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224439;MM224439;C#CC(=CF)CC(C)(F)F;ASCBSPFZAIYKOX-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224440;MM224440;C#CC(=CC)CC(F)(F)F;LZZBCBSIAKMJQX-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224441;MM224441;C#CC(=CF)CC(F)(F)F;QFYPFKLLTRWSQL-UHFFFAOYSA-N;152.09;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224442;MM224442;C#CC(CC(C)(C)C)=NN;FAXWIXIOFVYEIO-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224443;MM224443;C#CC(CC(C)(C)C)=NO;NZTNSTANPPZQSG-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224444;MM224444;C#CC(CC(C)(C)F)=NO;SULLEFNIADVNIB-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224445;MM224445;C#CC(CC(C)(F)F)=NN;CFAQIZJDLBOOCE-UHFFFAOYSA-N;146.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224446;MM224446;C#CC(CC(F)(F)F)=NN;KHQRBFCMCOZFSO-UHFFFAOYSA-N;150.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224447;MM224447;C#CC(=NC)NC(C)(C)C;OVWDIWFZZJQXRU-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224448;MM224448;C#CC(=CC)OC(C)(C)C;JWHVWMBJTBYOKC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224449;MM224449;C#CC(=CF)OC(C)(C)C;RFQJEMNISRFJMN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224450;MM224450;N=CN1CC(N)(CO)C=N1;ZPEOXWRKHQXLBT-UHFFFAOYSA-N;142.16;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224451;MM224451;C#CC(=NO)OC(C)(C)C;JSGZRDMNGDQNAE-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224452;MM224452;CCC(=CC(C)(C)C)CC;ZXAHPNIUYQIQPK-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224453;MM224453;CCC(=CC(C)(C)C)CN;SXNWDJRWBHVICZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224454;MM224454;NN=C(CC1(O)CC1)NO;JEFXRLJYMNKNOA-UHFFFAOYSA-N;145.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224455;MM224455;CCC(=CC(C)(C)C)CF;VSQWQGPWQZURKW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224456;MM224456;CC(C)(C)C=C(CN)CN;BDFIVORAKAWCKG-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224457;MM224457;CCC(=CC(C)(C)N)CC;BWCNPSSGTMERMX-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224458;MM224458;CCC(=CC(C)(C)N)CN;UYOMZYMNSLAAMM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224459;MM224459;CCC(=CC(C)(C)N)CO;SCGMFLRFJHUWOM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224460;MM224460;CCC(=CC(C)(C)N)CF;NBLHPEHNDQOKLA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224461;MM224461;CC(C)(N)C=C(CN)CN;DGDJDUPUWGDEPB-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224462;MM224462;CC(C)(N)C=C(CN)CO;MGOKINBMDHZTIZ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224463;MM224463;CC(C)(N)C=C(CN)CF;BLBIBPSKMOJAMZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224464;MM224464;CC(C)(N)C=C(CO)CO;UMBKNVDYNUDHPG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224465;MM224465;C#CC(=NC(C)=CF)NO;VUBDSCKZZPECEN-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224466;MM224466;CCC(=CC(C)(C)O)CN;GHRDTPPVUAQWNW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224467;MM224467;CC(C)(O)C=C(CN)CN;HTIMQHDKLRRWNK-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224468;MM224468;CC(C)(O)C=C(CN)CF;PTZLFTNPIHMCGK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224469;MM224469;CCC(=CC(C)(C)F)CC;SGMSTKVNARMUBD-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224470;MM224470;CCC(=CC(C)(C)F)CN;NGXDDXLAVKLRRX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224471;MM224471;CC(C)(F)C=C(CN)CN;CHDMNBQODOHZHR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224472;MM224472;CC(C)(F)C=C(CO)CF;JROAIAIIUJJTNQ-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224473;MM224473;CCC(=CC(C)(F)F)CC;ZQNRCEMLKIWIKT-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224474;MM224474;CCC(=CC(C)(F)F)CN;NSFUQMAVQBCDRI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224475;MM224475;CC(F)(F)C=C(CO)CF;GGJLVFRGTAVIJY-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224476;MM224476;CCC(=CC(F)(F)F)CC;GTGMNHFXEJCMHC-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224477;MM224477;NCC(=CC(F)(F)F)CN;OHPIRFULEZQQHG-UHFFFAOYSA-N;154.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224478;MM224478;NCC(=CC(F)(F)F)CO;JTJJMVIDBFEACM-UHFFFAOYSA-N;155.12;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224479;MM224479;OCC(=CC(F)(F)F)CF;JDPZDUYEHSKXND-UHFFFAOYSA-N;158.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224480;MM224480;CCC(=CC(C)(C)C)OC;MNKOKMMGMQFMPG-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224481;MM224481;COC(=CC(C)(C)C)CO;NLCZHVVCAYRMOB-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224482;MM224482;CCC(=CC(C)(C)N)OC;UUSBZZORFKARDK-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224483;MM224483;COC(=CC(C)(C)N)CN;YPRLDTSDESONGL-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224484;MM224484;COC(=CC(C)(C)N)CF;YYFXSENKHMOTLC-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224485;MM224485;CCC(=CC(C)(C)O)OC;GVFHNXZKDHCIJH-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224486;MM224486;COC(=CC(C)(C)O)CF;DSMHXFYHDGKBPD-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224487;MM224487;CCC(=CC(C)(C)F)OC;UNWUKIOPVAHNKS-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224488;MM224488;COC(=CC(C)(C)F)CO;LOGBTPIMJVOFMF-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224489;MM224489;COC(=CC(C)(F)F)CO;QKRCAXMSNLGIAS-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224490;MM224490;COC(=CC(F)(F)F)CO;QVONGGDFKWTXER-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224491;MM224491;COC(=CC(F)(F)F)CF;HKTOLFBJYWKVKR-UHFFFAOYSA-N;158.09;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224492;MM224492;CNC(=NC(C)(C)C)NC;KTHFBVXMTDGYPE-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224493;MM224493;CNC(=NC(C)(C)C)NN;CZNAFCXKMJGEKR-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224494;MM224494;CNC(=NC(C)(C)C)NO;BQFYSUYCIHSUDD-UHFFFAOYSA-N;145.21;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224495;MM224495;CCN(C=O)N=CC(C)O;RTVFEPVMAANOHC-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224496;MM224496;C=CC(=CC(C)(C)C)CC;SARBXUCLAPYFNY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224497;MM224497;CCC(C=O)=CC(C)(C)C;ITDQGIVIYLTZSA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224498;MM224498;CCC(C#N)=CC(C)(C)C;PLHCFDZZVXMUME-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224499;MM224499;C=CC(=CC(C)(C)C)CN;DQHNDCYJDVCCHA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224500;MM224500;C=CC(=CC(C)(C)C)CO;VQXUJERBXNQBAY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224501;MM224501;CC(C)(C)C=C(C=O)CO;FBRWPTCBUMUUOS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224502;MM224502;CC(C)(C)C=C(C#N)CO;HUVXPHIVYRVSLN-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224503;MM224503;C=CC(=CC(C)(C)C)CF;YZNWDWOXMIXDCN-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224504;MM224504;CC(C)(C)C=C(C#N)CF;COBWOUHRHOEVFF-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224505;MM224505;C=CC(=CC(C)(C)N)CC;OFWSFRMUCONVID-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224506;MM224506;C=CC(=CC(C)(C)N)CO;XMCMTDIYCZFKJV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224507;MM224507;C=CC(=CC(C)(C)N)CF;GKPDMVWSHXRCIN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224508;MM224508;CC(O)C=NN(C=N)C=N;RQCLAIMNQRNCSF-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224509;MM224509;CCC(C=O)=CC(C)(C)O;FMOVJSXEHSRDFR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224510;MM224510;CCC(C#N)=CC(C)(C)O;VKPOTHRFBSPOQK-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224511;MM224511;C=CC(=CC(C)(C)O)CN;GLLHIMYVDIONDI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224512;MM224512;C=CC(=CC(C)(C)O)CO;HHTZLKJUEWLOAE-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224513;MM224513;CC(C)(O)C=C(C#N)CO;VTKIQWTXZZSHFK-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224514;MM224514;C=CC(=CC(C)(C)O)CF;FQAJFVWHEJFTKE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224515;MM224515;CC(C)(O)C=C(C=O)CF;MWUZMDYPBOSIOJ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224516;MM224516;CC(C)(O)C=C(C#N)CF;CJHXOQZATDGPOX-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224517;MM224517;C=CC(=CC(C)(C)F)CC;FMPFCBIYKZUBMX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224518;MM224518;CCC(C=O)=CC(C)(C)F;DWLBCSAHGKLHDI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224519;MM224519;CCC(C#N)=CC(C)(C)F;IDOWAWYUZGWDLY-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224520;MM224520;C=CC(=CC(C)(C)F)CN;MCVWIJVXKYWMMK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224521;MM224521;C=CC(=CC(C)(C)F)CO;IPMVPHZTDQBNBW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224522;MM224522;CC(C)(F)C=C(C=O)CO;TWFHZAOGWXWKKW-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224523;MM224523;CC(C)(F)C=C(C#N)CO;FAUUPBBGEBGGAY-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224524;MM224524;C=CC(=CC(C)(C)F)CF;QVKMSRWNZLHOQR-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224525;MM224525;CC(C)(F)C=C(C#N)CF;WFNOKUOIVQUNIB-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224526;MM224526;C=CC(=CC(C)(F)F)CC;WKRKHODWLRBJQQ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224527;MM224527;CCC(C#N)=CC(C)(F)F;BIWMTZRUYKSILN-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224528;MM224528;C=CC(=CC(C)(F)F)CN;BBJOGAZRVJCQPM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224529;MM224529;C=CC(=CC(C)(F)F)CO;AOYSZNUTOSFHIY-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224530;MM224530;CC(F)(F)C=C(C#N)CO;JYGRQHOTVJOMKK-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224531;MM224531;C=CC(=CC(C)(F)F)CF;UCQYQAGZBNZPAW-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224532;MM224532;CC(F)(F)C=C(C#N)CF;DUPKBQHVSHKPTO-UHFFFAOYSA-N;149.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224533;MM224533;CCC(C#N)=CC(F)(F)F;IKZOAYBZYFUSJK-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224534;MM224534;C=CC(=CC(C)(C)C)OC;FMKQIJBAKOBOOQ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224535;MM224535;COC(C#N)=CC(C)(C)C;SCKUGSMMUWGLPZ-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224536;MM224536;C=CC(=CC(C)(C)N)OC;CDULHNBKWMOWDB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224537;MM224537;C=CC(=CC(C)(C)O)OC;BEKYLORNGZXCLM-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224538;MM224538;COC(C=O)=CC(C)(C)O;PRTMLIAPFUCPHS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224539;MM224539;COC(C#N)=CC(C)(C)O;ZSKFNLXPMRLWIZ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224540;MM224540;C=CC(=CC(C)(C)F)OC;HZMXRPALHYNVPC-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224541;MM224541;COC(C#N)=CC(C)(C)F;RRTKAYHYLZCHGG-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224542;MM224542;C=CC(=CC(C)(F)F)OC;BVUFSNKCCGRLAE-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224543;MM224543;COC(C=O)=CC(C)(F)F;LBTLRIJSFAXYRO-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224544;MM224544;COC(C#N)=CC(C)(F)F;DWGPHELDRZIFPW-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224545;MM224545;COC(C=O)=CC(F)(F)F;IEOCYPIPROENAQ-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224546;MM224546;COC(C#N)=CC(F)(F)F;BWWKTMOBFIUUPL-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224547;MM224547;C#CC(=CC(C)(C)C)CC;CSXDMOPKECPHMJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224548;MM224548;C#CC(=CC(C)(C)C)CN;MEKICIQRZVEIDZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224549;MM224549;C#CC(=CC(C)(C)C)CO;OQNUGRNQUMVJLK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224550;MM224550;C#CC(=CC(C)(C)C)CF;KPUVWCLGLFMKAX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224551;MM224551;C#CC(=CC(C)(C)N)CC;PSJKQZNZVYVKGJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224552;MM224552;C#CC(=CC(C)(C)N)CF;JXJZLJFOELVPIZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224553;MM224553;C#CC(=NC=C(C)F)NO;MGHCDIBKYLEICV-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224554;MM224554;C#CC(=CC(C)(C)O)CF;ZOVJUZFQTYNFQZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224555;MM224555;C#CC(=CC(C)(C)F)CC;PEKLAXXLDLDAHV-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224556;MM224556;C#CC(=CC(C)(C)F)CF;HYRXQAIYRNPBFD-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224557;MM224557;C#CC(=CC(C)(F)F)CC;IRQUIIYVOOEBGA-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224558;MM224558;C#CC(=CC(C)(F)F)CO;QQBCDTZNTRTBTD-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224559;MM224559;C#CC(=CC(C)(F)F)CF;CMJZWZGIGXUOOJ-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224560;MM224560;C#CC(=CC(F)(F)F)CC;ACANRANNBUYEAK-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224561;MM224561;C#CC(=CC(F)(F)F)CO;OLUOXMJKKFYZHC-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224562;MM224562;C#CC(=CC(C)(C)C)OC;YSCIHLAVBJLAFA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224563;MM224563;C#CC(=CC(C)(C)N)OC;MLVPXWKCSGNQBN-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224564;MM224564;C#CC(=CC(C)(C)O)OC;WPAHDBOLHZLCMR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224565;MM224565;C#CC(=CC(C)(C)F)OC;HGBQRJMDGOHULA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224566;MM224566;C#CC(=CC(C)(F)F)OC;NCZSCQWSXDHTDQ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224567;MM224567;C#CC(=CC(F)(F)F)OC;OFXJMXKBGKJWIK-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224568;MM224568;C=CC(C=C)=CC(C)(C)C;HIQNAZBORJNCIB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224569;MM224569;C=CC(C=O)=CC(C)(C)C;AHEHPMSVOQACJE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224570;MM224570;C=CC(C#N)=CC(C)(C)C;CLQVAHUJSNVHKZ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224571;MM224571;CC(C)(C)C=C(C=O)C=O;JBVVOWQWGROBSS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224572;MM224572;CC(C)(C)C=C(C#N)C#N;PLIHKJFNCMBRFM-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224573;MM224573;C=CC(C=C)=CC(C)(C)N;LVEHAFWTKUOJHU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224574;MM224574;C=CC1(CO)NC1C(N)=O;USFKSLRRISPMPZ-UHFFFAOYSA-N;142.16;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224575;MM224575;C=CC(C=O)=CC(C)(C)O;JPFFHOZTMLZBFB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224576;MM224576;C=CC(C#N)=CC(C)(C)O;YTTMZRSZABVYQZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224577;MM224577;C=CC(C=C)=CC(C)(C)F;AWHMNZVPTXOABC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224578;MM224578;C=CC(C#N)=CC(C)(C)F;UTUCUCXRVCRDNH-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224579;MM224579;CC(C)(F)C=C(C#N)C=O;DWLZMUSJFGLHAP-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224580;MM224580;CC(C)(F)C=C(C#N)C#N;HTPGGXJMJUNPFD-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224581;MM224581;C=CC(C=C)=CC(C)(F)F;UFTKPLWBJPBCSY-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224582;MM224582;C=CC(C=O)=CC(C)(F)F;MQCODOOIRBNZSH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224583;MM224583;C=CC(C#N)=CC(C)(F)F;SWFULHCCSYBEDW-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224584;MM224584;CC(F)(F)C=C(C#N)C=O;WAEVUSFSZJNGGH-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224585;MM224585;CC(F)(F)C=C(C#N)C#N;DUJDZXFYCOHQTI-UHFFFAOYSA-N;142.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224586;MM224586;C=CC(C=C)=CC(F)(F)F;LBUIGAROAAFVJL-UHFFFAOYSA-N;148.13;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224587;MM224587;C=CC(C#N)=CC(F)(F)F;FTYFWARPVCYMCH-UHFFFAOYSA-N;147.1;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224588;MM224588;O=CC(C=O)=CC(F)(F)F;VMJQEOKGFBYGPG-UHFFFAOYSA-N;152.07;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224589;MM224589;N#CC(C=O)=CC(F)(F)F;JWFNNMHOABRBOL-UHFFFAOYSA-N;149.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224590;MM224590;N#CC(C#N)=CC(F)(F)F;IAZXBHSTFVMURS-UHFFFAOYSA-N;146.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224591;MM224591;C#CC(C=C)=CC(C)(C)C;IFMHLFIXWNTURO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224592;MM224592;C#CC(C=O)=CC(C)(C)C;GAFVKMSFPFRKKU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224593;MM224593;C#CC(C#N)=CC(C)(C)C;VOSDLPOSVSUDHR-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224594;MM224594;C#CC(C=C)=CC(C)(C)N;GAPXBTLDYBVNJZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224595;MM224595;O=CC(=O)CNN=CCO;LWLJBMIBEFTGET-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224596;MM224596;C#CC(C#N)=CC(C)(C)O;CGMQWAAXJBTXBG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224597;MM224597;C#CC(C=C)=CC(C)(C)F;MNTKQVCQNZHJLF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224598;MM224598;C#CC(C=O)=CC(C)(C)F;IGSUKNOBTXOCJK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224599;MM224599;C#CC(C#N)=CC(C)(C)F;QXGMTKDUNVUNOL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224600;MM224600;C#CC(C=C)=CC(C)(F)F;WPADCUZBNSWEQG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224601;MM224601;C#CC(C=O)=CC(C)(F)F;JTKBFITVTJCWPS-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224602;MM224602;C#CC(C#N)=CC(C)(F)F;ITAOVURQFPYSTI-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224603;MM224603;C#CC(C=C)=CC(F)(F)F;BWIHEUPYNZCPAT-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224604;MM224604;C#CC(C=O)=CC(F)(F)F;OLSHDDZKAGEIHZ-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224605;MM224605;C#CC(C#N)=CC(F)(F)F;SAVRCDCPHSLXIU-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224606;MM224606;C#CC(C#C)=CC(C)(C)C;UVUPGLKAWJKXSF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224607;MM224607;C#CC(C#C)=CC(C)(C)N;YIQJQTVYOBRZME-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224608;MM224608;C=NN(CC=O)C(=N)NO;UEYABBWSWSQLAX-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224609;MM224609;C#CC(C#C)=CC(C)(C)F;ZKVPYIIQIYTPOX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224610;MM224610;C#CC(C#C)=CC(C)(F)F;ZUAAEYNZSPYHJY-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224611;MM224611;C#CC(C#C)=CC(F)(F)F;JDVXHIFXJKOQDJ-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224612;MM224612;CCC(C)CCC(C)(C)C;GZJFAWOTMWATOS-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224613;MM224613;CC(CN)CCC(C)(C)C;IAGVUKPZFXLALM-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224614;MM224614;NN=CCC(CO)OC=O;CLZUZKBZLLNOEI-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224615;MM224615;CC(CF)CCC(C)(C)C;LGKXPVBSCXZPOG-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224616;MM224616;CCC(N)CCC(C)(C)C;SLYDVORZOFPJKE-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224617;MM224617;CC(C)(C)CCC(N)CN;FTHMNMADURTEOO-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224618;MM224618;CN(O)C(=NN)NOC=O;NKRYKHGIKDUBQA-UHFFFAOYSA-N;148.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224619;MM224619;CC(C)(C)CCC(O)CF;VNXPTZUKFFEMEH-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224620;MM224620;CCC(F)CCC(C)(C)C;AKXYZYUYSONQFG-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224621;MM224621;CC(C)(C)CCC(F)CN;IWUKXMJMKZQYLY-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224622;MM224622;CC(C)(C)CCC(F)CO;NAGWIAANRLBFOU-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224623;MM224623;CC(C)(C)CCC(F)CF;GZRNOKZAFPKSBY-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224624;MM224624;CC(CN)CCC(C)(C)N;OBSXRFGULVFGPT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224625;MM224625;CC(CO)CCC(C)(C)N;CHMFHVBJXZYZIG-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224626;MM224626;CC(CF)CCC(C)(C)N;GQQFLTXOPGTHTC-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224627;MM224627;CCC(N)CCC(C)(C)N;SKVZTZWOMXWJSI-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224628;MM224628;CC(C)(N)CCC(N)CN;ZAEGXYKEZZZLQU-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224629;MM224629;CC(C)(N)CCC(N)CO;XYBAYRPTQQHUKD-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224630;MM224630;CCC(O)CCC(C)(C)N;BOKOPWKOZWKPJE-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224631;MM224631;CC(C)(N)CCC(O)CN;XIAQJIQFICUFPI-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224632;MM224632;CCC(F)CCC(C)(C)N;GHOJZHLYSLBCRW-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224633;MM224633;CC(C)(N)CCC(F)CF;HOFBHFQTZDFCEV-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224634;MM224634;C=CC#CC(=NN)C(N)=O;OZOVQGIYXFUJOP-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224635;MM224635;CC(CN)CCC(C)(C)O;GKHBYLKWQGQCIR-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224636;MM224636;C#CC(=NCC=C)N(C)O;DNOZSECRGTYICU-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224637;MM224637;C=CC(CO)OCC=NN;BIALBLRLMJLGTK-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224638;MM224638;CCC(N)CCC(C)(C)O;QNMDVDIQJJPEMH-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224639;MM224639;CC(C)(O)CCC(N)CO;WHIIWLLIAYVTTA-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224640;MM224640;CCC(O)CCC(C)(C)O;WPIMUZQTFDJTFU-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224641;MM224641;CC(C)(O)CCC(O)CN;RAGGYQQSASETNE-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224642;MM224642;CCC(F)CCC(C)(C)O;VFLNILMDMXEZNG-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224643;MM224643;CC(C)(O)CCC(F)CO;XMKLJAFCKBPCRN-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224644;MM224644;CC(C)(O)CCC(F)CF;WRZPDZKQQIAEDF-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224645;MM224645;CCC(C)CCC(C)(C)F;RSCKDKUDNHOTOW-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224646;MM224646;CC(CN)CCC(C)(C)F;AMRBXZYGQXTBKM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224647;MM224647;CCC(N)CCC(C)(C)F;XIFFAIYDDQNOAI-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224648;MM224648;CCC(O)CCC(C)(C)F;PHUPOURXKAMCGO-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224649;MM224649;CC(C)(F)CCC(O)CO;YIVXMFCEYUZTHJ-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224650;MM224650;CCC(F)CCC(C)(C)F;KTDZZJVYVFDNFL-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224651;MM224651;CC(C)(F)CCC(F)CN;CYFABOVGHUIXPG-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224652;MM224652;CCC(C)CCC(C)(F)F;KSNNDMNFOFJOTR-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224653;MM224653;CC(CN)CCC(C)(F)F;VQJGYIOUYMKYMY-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224654;MM224654;CCC(N)CCC(C)(F)F;BBYQGJDYXCTSFL-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224655;MM224655;CC(F)(F)CCC(N)CN;IQRISDQFMYXMAK-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224656;MM224656;CC(F)(F)CCC(N)CF;WQZOCMBKMFTKPG-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224657;MM224657;CCC(O)CCC(C)(F)F;NTLTWGRVMVHMMX-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224658;MM224658;CCC(F)CCC(C)(F)F;XKMRSNKRLZYYTF-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224659;MM224659;CC(F)(F)CCC(F)CF;UDIPDZDIZKAWQA-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224660;MM224660;CC(CN)CCC(F)(F)F;NCFDKVTXBARGDB-UHFFFAOYSA-N;155.16;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224661;MM224661;COC(C=CC=NN)CO;BDFVBJHYKRWXNN-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224662;MM224662;CC(CF)CCC(F)(F)F;AXEWVEJICNOBER-UHFFFAOYSA-N;158.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224663;MM224663;NC(CF)CCC(F)(F)F;JONKXXCJTKKEME-UHFFFAOYSA-N;159.13;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224664;MM224664;CCC(F)CCC(F)(F)F;SHLYNOFHOJHLAM-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224665;MM224665;NCC(F)CCC(F)(F)F;MGYSVHKYQABPJM-UHFFFAOYSA-N;159.13;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224666;MM224666;CNC(C)CCC(C)(C)N;RKAGMCKHLSAQRY-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224667;MM224667;CNC(C)CCC(C)(C)O;XLXPBINQGDTQPK-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224668;MM224668;CNC(C)CCC(C)(F)F;YBHNNSLFBMMZPB-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224669;MM224669;CNC(C)CCC(F)(F)F;ABCRWKMDJYMFMV-UHFFFAOYSA-N;155.16;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224670;MM224670;CC(CN)NCC(C)(C)C;WPJHEOWRNLDBRO-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224671;MM224671;CCC(C)NCC(C)(C)N;XLTHSMHXFKRDPE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224672;MM224672;CC(CO)NCC(C)(C)N;RQTLGUJZYPZQNX-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224673;MM224673;CCC(C)NCC(C)(C)O;ONMVFBLUBNPLQE-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224674;MM224674;CC(CN)NCC(C)(C)O;MCYBSXYNNNXVEK-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224675;MM224675;CC(CO)NCC(C)(C)O;MHARMLOQUNONNQ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224676;MM224676;CC(CN)NCC(C)(C)F;PMHMPMLCAXTENM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224677;MM224677;CC(CO)NCC(C)(C)F;IQOWRJQKNJXQSE-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224678;MM224678;CC(CF)NCC(C)(F)F;FQIFZBOQKVDXTI-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224679;MM224679;CC(CN)OCC(C)(C)N;SBQFLKBGUPAUSJ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224680;MM224680;CC(CN)OCC(C)(C)O;FINAVVNYCYHSRB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224681;MM224681;CC(CO)OCC(C)(C)F;FMSMACMFAQQBPQ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224682;MM224682;CC(CO)OCC(C)(F)F;NRCJHRJRMPBLKC-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224683;MM224683;CC(CO)OCC(F)(F)F;PWUQTMNENQZECI-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224684;MM224684;COC(C)OCC(C)(C)F;YEGDIWBVGFAFRL-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224685;MM224685;COC(C)OCC(C)(F)F;KETFGJQMJZRQCC-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224686;MM224686;COC(C)OCC(F)(F)F;UHBNCWJLECJZSR-UHFFFAOYSA-N;158.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224687;MM224687;CCC(C)CNC(C)(C)C;NQMXCUHVJMOJKT-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224688;MM224688;CC(CN)CNC(C)(C)C;XCPZRDPQEYVVFL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224689;MM224689;CCC(N)CNC(C)(C)C;LNGHILINGIFMEQ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224690;MM224690;CC(C)(C)NCC(N)CO;OKHHYFBHVRHGMS-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224691;MM224691;CC(C)(C)NCC(N)CF;RAJMIKJDRFFQAF-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224692;MM224692;CCC(O)CNC(C)(C)C;MNPBBWITKFNCBR-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224693;MM224693;CC(C)(C)NCC(O)CN;UIPBHEMSRLPBRL-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224694;MM224694;CC(C)(C)NCC(O)CO;JWBMVCAZXJMSOX-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224695;MM224695;CCC(F)CNC(C)(C)C;AJADBGZVFSMWMT-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224696;MM224696;CC(C)(C)NCC(F)CN;JHMXJGBLLSIHAU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224697;MM224697;CNC(C)CNC(C)(C)C;SKGZRDNLVWHRRQ-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224698;MM224698;CCC(C)COC(C)(C)C;LTSQRKMUKSTWKM-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224699;MM224699;CC(C)(C)OCC(N)CN;BWIIULRDCMFKIK-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224700;MM224700;CC(C)(C)OCC(F)CO;SCYABZGTLHPOBO-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224701;MM224701;CCN(C)CCC(C)(C)C;SYUWQYHWNJPUMM-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224702;MM224702;CCN(C)CCC(C)(C)N;XNBPYFDMEXIUDW-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224703;MM224703;CCN(C)CCC(C)(C)O;QZPZJYJQRPLTPP-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224704;MM224704;CCN(C)CCC(C)(C)F;JGNDCICRRYRFEM-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224705;MM224705;CCN(C)CCC(C)(F)F;POFTVDATPQYHKX-UHFFFAOYSA-N;151.2;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224706;MM224706;C=CC(C)CCC(C)(C)C;NEWVCZHGGCHEGF-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224707;MM224707;CC(C#N)CCC(C)(C)C;GJKDXFJILLMKAX-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224708;MM224708;C=CC(N)CCC(C)(C)C;XJDPORIFTJQECI-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224709;MM224709;CNN=C(C)C(C#N)CO;BPKURGIYZUBQNF-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224710;MM224710;CC(C)(C)CCC(O)C=O;SFNZAHNJPXQVAG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224711;MM224711;C=CC(F)CCC(C)(C)C;IOOIBQBZWJGKSO-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224712;MM224712;CC(C)(C)CCC(F)C=O;HSWVHKPBCXRWRI-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224713;MM224713;C=CC(C)CCC(C)(C)N;LEDLQHLIYFHNDD-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224714;MM224714;C=CC(N)CCC(C)(C)N;PEHQMESNLTXRID-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224715;MM224715;C=CCC1=NC(=NN)CN1;DLSNKYNHTPPEEF-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224716;MM224716;C=CC1CN1C1(C)CC1O;DOIXQSGGQCXIHY-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224717;MM224717;C=CC(O)CCC(C)(C)O;ZISONDCUXMGDJR-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224718;MM224718;CC(C)(O)CCC(O)C=O;AZLXLFRYHHSEKH-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224719;MM224719;CC(C)(O)CCC(F)C=O;SFVQEGYSCPXWBD-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224720;MM224720;CC(C)(O)CCC(F)C#N;QESKRKAGUOPJDS-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224721;MM224721;CC(C#N)CCC(C)(C)F;JXYCCKNIUBRKFG-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224722;MM224722;C=CC(N)CCC(C)(C)F;JCPHMZZWNQTFKQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224723;MM224723;C=CC(O)CCC(C)(C)F;MTPHRQRSUYGCOP-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224724;MM224724;C=CC(F)CCC(C)(C)F;UOZFHZLGDBWLCW-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224725;MM224725;CC(C=O)CCC(C)(F)F;ULVIPJGKARAQEJ-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224726;MM224726;CC(C#N)CCC(C)(F)F;IHWHGZKPXCNZJY-UHFFFAOYSA-N;147.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224727;MM224727;CC(F)(F)CCC(O)C#N;DVUNQCZRANYNPN-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224728;MM224728;CC(F)(F)CCC(F)C#N;UZWVNIHUFRFGTQ-UHFFFAOYSA-N;151.13;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224729;MM224729;C=CC(N)CCC(F)(F)F;BVFZRTGACRGUTI-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224730;MM224730;C=CC(O)CCC(F)(F)F;JEYCTXMEDJKQSE-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224731;MM224731;O=CC(O)CCC(F)(F)F;KHPLVSDWFKDRLW-UHFFFAOYSA-N;156.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224732;MM224732;C=CC(F)CCC(F)(F)F;QBYMJDFEOMTQIZ-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224733;MM224733;C=CC(C)NCC(C)(C)C;GRXFLTRUKQQNRZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224734;MM224734;CC(C#N)NCC(C)(C)C;BFQSGNVIICIAJV-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224735;MM224735;C=CC(C)NCC(C)(C)O;YOLNZRBPJDXVOL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224736;MM224736;C=CC(C)NCC(C)(C)F;IJXQRUNWAWFIKK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224737;MM224737;CC(C#N)NCC(C)(C)F;IKAHZVULKWSPFR-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224738;MM224738;CC(C#N)NCC(C)(F)F;FXRXWONSRJAYNW-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224739;MM224739;C=CC(C)OCC(C)(C)O;NJYADDCPOMXFAT-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224740;MM224740;CC(C#N)OCC(C)(F)F;MZUVRNSTBLPYIA-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224741;MM224741;CC(C#N)OCC(F)(F)F;LGOMXOJDMYRJJI-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224742;MM224742;C=CC(N)CNC(C)(C)C;VIGVZEZOUUSINM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224743;MM224743;C=CC(O)CNC(C)(C)C;OFWCSOYPQHBYOU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224744;MM224744;CC(C#N)COC(C)(C)C;JUADXALIVPJSMX-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224745;MM224745;C=CC(N)COC(C)(C)C;UNYBFSGSPNPKKY-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224746;MM224746;C=CC(O)COC(C)(C)C;UURKIXFCIOQIKS-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224747;MM224747;CC(C)(C)OCC(O)C=O;AUTDSHCKNBQLFS-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224748;MM224748;CC(C)(C)OCC(O)C#N;FMHKXZHAEOSWFW-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224749;MM224749;C=CC(F)COC(C)(C)C;JMJBWSNGRHALSH-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224750;MM224750;CC(C)(C)OCC(F)C=O;ZJCBATBXCSMUSG-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224751;MM224751;CN(C=N)CCC(C)(C)C;VUJRPRTYMVWQMA-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224752;MM224752;CN(C=O)CCC(C)(C)C;AKNOMEYYJGIOJY-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224753;MM224753;CC(C)(C)CCN(N)C=N;YXCKTAYKJWMZSE-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224754;MM224754;CC(C)(C)CCN(N)C=O;LRXWFGFJHNDZDP-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224755;MM224755;CC(C)(C)CCN(O)C=N;OGZPJKJADCGSOX-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224756;MM224756;CC(C)(C)CCN(O)C=O;VCMZOTTZJDINAW-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224757;MM224757;CC(C)(N)CCN(O)C=O;WLLARCZYRSXRSX-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224758;MM224758;CN(C=N)CCC(C)(C)F;BVQFLNGYIFJPIP-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224759;MM224759;CC(C)(F)CCN(N)C=N;NRSYVSYYGRCVTE-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224760;MM224760;CC(C)(F)CCN(N)C=O;AHJSROLBVWTAPN-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224761;MM224761;CC(C)(F)CCN(O)C=O;CPDWGQDSKHSYKH-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224762;MM224762;N=CN(N)CCC(F)(F)F;APYJTMHZQCACGI-UHFFFAOYSA-N;155.12;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224763;MM224763;N=CN(O)CCC(F)(F)F;JHMMFJAPZJEIQW-UHFFFAOYSA-N;156.11;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224764;MM224764;C=NN(C)CCC(C)(C)C;IHDWXPQGCREPKH-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224765;MM224765;C=NN(C)CCC(C)(C)F;SUEXRTXZYXWVDF-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224766;MM224766;C=NN(C)CCC(C)(F)F;MHZZZAHZBQYHPL-UHFFFAOYSA-N;150.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224767;MM224767;CN(C=N)NCC(C)(C)N;CWYOLHBWTPXADE-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224768;MM224768;CC12CC3NC3(CO)C1O2;ZSVMJYFPDLTTBV-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224769;MM224769;CN(C=O)NCC(C)(C)F;VEKIQFGYMGBXHV-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224770;MM224770;CN(C=N)NCC(C)(F)F;SVSNBEFEHLBTHW-UHFFFAOYSA-N;151.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224771;MM224771;CN(C=N)OCC(C)(C)O;BQPJSTCHWVKYEN-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224772;MM224772;CN(C=N)OCC(C)(C)F;IXCHHVCZGHYLPG-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224773;MM224773;CN(C=O)OCC(C)(C)F;LITSQSUYBHJNCU-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224774;MM224774;CN(C=N)OCC(C)(F)F;JYSBYZNSTVKFHL-UHFFFAOYSA-N;152.14;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224775;MM224775;C#CC(C)CCC(C)(C)C;KRWSKXYAOMZSSI-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224776;MM224776;C#CC(N)CCC(C)(C)C;LKRKQIOYIDCVED-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224777;MM224777;C#CC(O)CCC(C)(C)C;IJPJJRYNCHVBGP-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224778;MM224778;C#CC(C)CCC(C)(C)N;YAISHAKMEULSIV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224779;MM224779;C#CC(N)CCC(C)(C)N;YKVOZGDGBCGQFY-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224780;MM224780;C#CC(F)CCC(C)(C)N;QJPQBYCGFUBKNI-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224781;MM224781;C#CC(F)CCC(C)(C)O;KKUXANVGPUWDFK-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224782;MM224782;C#CC(C)CCC(C)(C)F;HBGULTGFHFJVRF-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224783;MM224783;C#CC(C)CCC(C)(F)F;WIMISNAKXZASIW-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224784;MM224784;C#CC(N)CCC(C)(F)F;UDUGMMZJNKJFGG-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224785;MM224785;C#CC(N)CCC(F)(F)F;ILVXMYGISMKAHY-UHFFFAOYSA-N;151.13;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224786;MM224786;C#CC(O)CCC(F)(F)F;DRNMFIWBBSTTSR-UHFFFAOYSA-N;152.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224787;MM224787;C#CC(C)NCC(C)(F)F;MRPWPCQCGDWENB-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224788;MM224788;C#CC(C)OCC(C)(C)O;ILGSQISBNMGUBZ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224789;MM224789;C#CC(O)CNC(C)(C)C;DOFSQZWFXQKTSK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224790;MM224790;C#CC(N)COC(C)(C)C;UWWMLTXYFROWJO-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224791;MM224791;C#CC(O)COC(C)(C)C;PXZXSWFVXDLHRY-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224792;MM224792;C=C(CC)CCC(C)(C)C;UWTLGGRCODMQST-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224793;MM224793;C=C(CN)CCC(C)(C)C;MVKDJVIRCDMDFS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224794;MM224794;C=C(CO)CCC(C)(C)C;GDKVYRXJWSZVDI-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224795;MM224795;C=C(CF)CCC(C)(C)C;TUCXHCNKRVEFCX-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224796;MM224796;CCC(=O)CCC(C)(C)C;LZILNQYBCXIMGZ-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224797;MM224797;CC(C)(C)CCC(=O)CO;VTRKNVVJQSKMOW-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224798;MM224798;CC(C)(C)CCC(=O)CF;GDVGVMQTGMLRKE-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224799;MM224799;C=C(CC)CCC(C)(C)N;IJJIBJBBDXYCJN-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224800;MM224800;C=C(CN)CCC(C)(C)N;LIRGBHSLKHWKCI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224801;MM224801;C=C(CO)CCC(C)(C)N;NKRBXZJDRJTUED-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224802;MM224802;C#Cc1ccc(CO)n1N;VRAAHJSSXQQUQF-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224803;MM224803;C=C(CN)CCC(C)(C)O;KJGGDBZJNHVUIP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224804;MM224804;CCC(=O)CCC(C)(C)O;FGPMBONEKHYAHO-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224805;MM224805;CC(C)(O)CCC(=O)CF;ANMGNSPLOBXBER-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224806;MM224806;C=C(CC)CCC(C)(C)F;BIQKAPLCAJPHRM-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224807;MM224807;C=C(CN)CCC(C)(C)F;YBDQDVFFGQMJDZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224808;MM224808;C=C(CO)CCC(C)(C)F;BLYANMSACBKDTG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224809;MM224809;C=C(CF)CCC(C)(C)F;RZRRIUZWNGPSLI-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224810;MM224810;CCC(=O)CCC(C)(C)F;HZCMIRSYKAVKSD-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224811;MM224811;C=C(CC)CCC(C)(F)F;SMLBQJBEIYPQJF-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224812;MM224812;C=C(CN)CCC(C)(F)F;LAVUJFWVCLUSNI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224813;MM224813;C=C(CO)CCC(C)(F)F;YUYJRAAOYUPRHN-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224814;MM224814;CCC(=O)CCC(C)(F)F;MNUJXEBQIOESML-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224815;MM224815;CC(F)(F)CCC(=O)CF;RNOUWKBZDWRFJT-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224816;MM224816;C=C(CC)CCC(F)(F)F;KDWIUIPKHVMUCM-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224817;MM224817;C=C(CN)CCC(F)(F)F;MYASZQUTCUDOKI-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224818;MM224818;C=C(CO)CCC(F)(F)F;UALJYRPHRRIJJN-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224819;MM224819;C=C(CF)CCC(F)(F)F;XIYJEHMFDVQZRN-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224820;MM224820;CCC(=O)CCC(F)(F)F;LKEYHSAKBVEOJQ-UHFFFAOYSA-N;154.13;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224821;MM224821;O=C(CO)CCC(F)(F)F;BNRKUUWCPJEYNE-UHFFFAOYSA-N;156.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224822;MM224822;CNC(=N)CCC(C)(C)C;KWNVWMZSPGIROQ-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224823;MM224823;CC(C)(C)CCC(=N)NN;OBZVYMPMHLUUTP-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224824;MM224824;CC(C)(C)CCC(=N)NO;GXZSFMWEFRMRKR-UHFFFAOYSA-N;144.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224825;MM224825;N=Nc1[nH]cc(CO)c1N;ZQVSNMRCTVUQHQ-UHFFFAOYSA-N;140.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224826;MM224826;CC(C)(C)CCC(=O)NO;MKJRBENPBDLVQE-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224827;MM224827;CNC(=O)CCC(C)(C)N;AUVCJBULBBYBHJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224828;MM224828;CC(C)(N)CCC(=O)NO;CLGJFALFROTMNJ-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224829;MM224829;CC(C)(O)CCC(=N)NN;CBABFAXRWIDETF-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224830;MM224830;CC(C)(O)CCC(=N)NO;FZTIUPSAYUIYFT-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224831;MM224831;CC=C1OCC2(CO)NC12;JLUUKJBRYKFCEQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224832;MM224832;CNC(=N)CCC(F)(F)F;XWFDDSDZQUBIFB-UHFFFAOYSA-N;154.14;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224833;MM224833;N=C(CCC(F)(F)F)NN;HQLDFNGJZOWQMD-UHFFFAOYSA-N;155.12;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224834;MM224834;NNC(=O)CCC(F)(F)F;LKCPUOIWTXJEFP-UHFFFAOYSA-N;156.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224835;MM224835;C=C(CCC(C)(C)N)OC;VECUDQHXSCATCK-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224836;MM224836;COC(=O)CCC(C)(C)O;XWEVFCCQODTKSM-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224837;MM224837;C=C(CCC(F)(F)F)OC;PIBXRNTUTWXUTF-UHFFFAOYSA-N;154.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224838;MM224838;CC(C)(C)CNC(=N)CO;DGTXHNYNAYCLOO-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224839;MM224839;CC(C)(C)CNC(=O)CO;CDJZEXKEPKVWBW-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224840;MM224840;CC(C)(N)CNC(=N)CN;HLCGZBRTJDSVQR-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224841;MM224841;CC(C)(N)CNC(=N)CO;WVBAANCVTRKIDZ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224842;MM224842;CC(C)(N)CNC(=N)CF;BXOFWKUGQRDTBH-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224843;MM224843;CCC(=O)NCC(C)(C)N;YEOWOMSLKHCPHO-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224844;MM224844;CC(C)(N)CNC(=O)CO;OFHOKBLHFYKSND-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224845;MM224845;CC(C)(N)CNC(=O)CF;BGFLDPOFBBORJY-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224846;MM224846;CC(C)(O)CNC(=N)CN;WOMFORMLKQLJOU-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224847;MM224847;CC(C)(O)CNC(=N)CO;HTKSPLTVUGIITA-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224848;MM224848;CC(C)(O)CNC(=O)CO;WJRPSYCTPPKPRZ-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224849;MM224849;CC(C)(F)CNC(=N)CN;LYPXLCYPXDNIBM-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224850;MM224850;CC(C)(F)CNC(=O)CF;BHPWACXFBDGJEB-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224851;MM224851;CC(F)(F)CNC(=N)CN;WNLGYDUAGIXBLN-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224852;MM224852;CC(F)(F)CNC(=N)CO;SYNYVJSSXKCOFH-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224853;MM224853;CC(F)(F)CNC(=O)CF;WVAURRNJYYMDJY-UHFFFAOYSA-N;155.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224854;MM224854;N=C(CF)NCC(F)(F)F;CPLTVCGIYKJHGC-UHFFFAOYSA-N;158.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224855;MM224855;CNC(=N)NCC(C)(C)C;AEYKWRWTIFZDMV-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224856;MM224856;CN=C1OCC2(CO)CN12;SXGCRSCZBOZNCO-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224857;MM224857;CC(C)(N)CNC(=N)NO;BXTNGUYDMIVBPW-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224858;MM224858;CNC(=O)NCC(C)(C)N;ZBDOSTMCTCMZGD-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224859;MM224859;CNC(=N)NCC(C)(C)O;ZWJUEUPYFNESHZ-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224860;MM224860;CNN=CC(C)O;SKOUFLTVZRZPCP-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224861;MM224861;CC(C)(O)CNC(=O)NO;BCNPRZKLKGIWQN-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224862;MM224862;CC(C)(F)CNC(=N)NN;SEFQQTXELHEXDS-UHFFFAOYSA-N;148.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224863;MM224863;CC(C)(F)CNC(=N)NO;CTTWCAAAGRIWNX-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224864;MM224864;CC(O)C=NN(C)C;CXLOITVDJNLMED-UHFFFAOYSA-N;116.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224865;MM224865;CNC(=N)NCC(C)(F)F;PLLFZUQOVRVOOS-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224866;MM224866;CC(F)(F)CNC(=N)NN;KIWQDJQTNMTWGA-UHFFFAOYSA-N;152.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224867;MM224867;CC(F)(F)CNC(=N)NO;PXYHYPFFIFZHTL-UHFFFAOYSA-N;153.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224868;MM224868;CC(O)C=NN1CC1;UTFALEQNFVUEHH-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224869;MM224869;CC(F)(F)CNC(=O)NO;YOOGUZJVYYNEIV-UHFFFAOYSA-N;154.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224870;MM224870;COC(=N)NCC(C)(C)O;JTKIDDRBAVMACL-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224871;MM224871;COC(=O)NCC(C)(C)F;XNBNKOSMCGWKOD-UHFFFAOYSA-N;149.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224872;MM224872;COC(=O)NCC(C)(F)F;ZRRUCWOATRFYAC-UHFFFAOYSA-N;153.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224873;MM224873;C=C(CC)OCC(C)(C)C;DBFZRPBHUKEEQP-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224874;MM224874;C=C(CN)OCC(C)(C)C;NDOBUDNYGABEAF-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224875;MM224875;C=C(CN)OCC(C)(C)N;QGHPKNHNXLZABQ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224876;MM224876;C=C(CO)OCC(C)(C)N;RBJCNJIPKQYYDJ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224877;MM224877;C=C(CF)OCC(C)(C)N;MZUGTDITIXQIOW-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224878;MM224878;CCC(=O)OCC(C)(C)N;RPAJNXADLMJENG-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224879;MM224879;C=C(CN)OCC(C)(C)O;OLVNQWAXAKFGKQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224880;MM224880;C=C(CC)OCC(C)(C)F;FKHAUDJXBRYDGD-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224881;MM224881;C=C(CO)OCC(C)(C)F;NMOILTILFOKMGQ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224882;MM224882;C=C(CO)OCC(C)(F)F;OXHWJACKPCIENY-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224883;MM224883;C=C(CO)OCC(F)(F)F;CFZAMOYOQGZSJV-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224884;MM224884;CC(C)(N)COC(=N)NO;TUWUFQVXHJFJNS-UHFFFAOYSA-N;147.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224885;MM224885;Nc1n[nH]c(N)c1F;UIAJINVBBRAWDQ-UHFFFAOYSA-N;116.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224886;MM224886;CNC(=N)OCC(C)(C)F;HRCHKZZCAFVJNM-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224887;MM224887;CNC(=O)OCC(C)(F)F;QTXXONYZOBLPRM-UHFFFAOYSA-N;153.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224888;MM224888;CNC(=N)OCC(F)(F)F;FVCMCBJJROYSNB-UHFFFAOYSA-N;156.11;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224889;MM224889;COC(=O)OCC(C)(C)C;KTKVOCOSCNLKQX-UHFFFAOYSA-N;146.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224890;MM224890;COC(=O)OCC(C)(F)F;QGXMTXZVJYTTOZ-UHFFFAOYSA-N;154.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224891;MM224891;COC(=O)OCC(F)(F)F;GBPVMEKUJUKTBA-UHFFFAOYSA-N;158.08;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224892;MM224892;C=C(CC)CNC(C)(C)C;IRMFOPUBYZAOQD-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224893;MM224893;C=C(CN)CNC(C)(C)C;WTVFHMXCSDSFET-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224894;MM224894;C=C(CO)CNC(C)(C)C;MMPLOQMKOJWDCU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224895;MM224895;CCC(=O)CNC(C)(C)C;QHBWZFDMTMEMHJ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224896;MM224896;CC(C)(C)NCC(=N)NN;FPSIOMSHDCHTIZ-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224897;MM224897;C=C(CC)COC(C)(C)C;TYYZCHHDKKMZPG-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224898;MM224898;C=C(CN)COC(C)(C)C;LBNRKAQBOCJFEE-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224899;MM224899;C=C(CO)COC(C)(C)C;RGRDJWIZAFMTGA-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224900;MM224900;C=C(CF)COC(C)(C)C;JNKXTJKHSAWZOT-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224901;MM224901;CC(C)(C)OCC(=O)CF;YLPLFJFPXNNLNP-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224902;MM224902;CNC(=N)COC(C)(C)C;XXCWDXOYZDHDJF-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C3";;;;;;;0.59;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224903;MM224903;CC(C)(C)OCC(=N)NN;VYTLWGSNZVIQJI-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224904;MM224904;CNC(=O)COC(C)(C)C;HBVBWRIBTBLCEC-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224905;MM224905;C=C(COC(C)(C)C)OC;BTRTYVMLDFXRFG-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224906;MM224906;COC(=O)COC(C)(C)C;HEWVGINPCZDHJF-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224907;MM224907;CC(C)(C)ONC(=N)CN;VLEMZRXFSYXJFB-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224908;MM224908;CNC(=N)NOC(C)(C)C;IYWCOGTXPPDRFC-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224909;MM224909;COC(=O)NOC(C)(C)C;REVUCPFHQOYHJR-UHFFFAOYSA-N;147.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224910;MM224910;C=CC(=C)CCC(C)(C)C;VEOZDKVUFCVWEM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224911;MM224911;C=C(C=O)CCC(C)(C)C;MLPBAHMINNUDNW-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224912;MM224912;C=C(C#N)CCC(C)(C)C;OIEDANSINKHWED-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224913;MM224913;C=CC(=O)CCC(C)(C)C;LMRCAWWQXFLOHO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224914;MM224914;CC(C)(C)CCC(=O)C=O;MCBRDRSESKWITQ-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224915;MM224915;C=CC(=C)CCC(C)(C)N;ARKMQWMBRRFYLO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224916;MM224916;CC(O)C=NN(C)C=N;JRXOFMBNECHBDC-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224917;MM224917;CC(O)C=NNCCF;YDUHZJZCYYOREY-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224918;MM224918;C#CC#CC(N)C(F)F;KMLQWOKDQGWKGK-UHFFFAOYSA-N;129.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224919;MM224919;C=CC(=O)CCC(C)(C)O;FLXOVGYCJLOOJW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224920;MM224920;C=CC(=C)CCC(C)(C)F;GETBJNNXOPCBOQ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224921;MM224921;C=C(C=O)CCC(C)(C)F;PEUJYGNIRMTXNY-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224922;MM224922;C=C(C#N)CCC(C)(C)F;WUJIQVGOOATNAT-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224923;MM224923;C=CC(=O)CCC(C)(C)F;ONUWAGDWEVADMR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224924;MM224924;CC(C)(F)CCC(=O)C=O;PKISUDZLVOMKBU-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224925;MM224925;CC(C)(F)CCC(=O)C#N;YRTQGHJKTCLGLG-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224926;MM224926;C=C(C=O)CCC(C)(F)F;HOFVEVXZTUXGOC-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224927;MM224927;C=C(C#N)CCC(C)(F)F;KZQRGQCOUORJLG-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224928;MM224928;C=CC(=O)CCC(C)(F)F;IRYJVEMXIBGVEY-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224929;MM224929;CC(F)(F)CCC(=O)C#N;BASJLYQQPANXRJ-UHFFFAOYSA-N;147.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224930;MM224930;C=CC(=C)CCC(F)(F)F;NGVKOZSAZRUETM-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224931;MM224931;C=C(C=O)CCC(F)(F)F;NGPKFSSGOKDUPU-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224932;MM224932;C=C(C#N)CCC(F)(F)F;IRFJHXBSMZNCNG-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224933;MM224933;C=CC(=O)CCC(F)(F)F;FTNFVCZSUPFKMK-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224934;MM224934;O=CC(=O)CCC(F)(F)F;KGEDUCGWJNIMDD-UHFFFAOYSA-N;154.09;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224935;MM224935;CC(C)(C)CNC(=N)C#N;KPNWZWFDOFXIRU-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224936;MM224936;CC1(NCC#N)CC1O;HAXFKUVCFUHOMJ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224937;MM224937;CC(C)(C)CNC(=O)C#N;QQYNZOGYNJTGHE-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224938;MM224938;C=CC(=N)NCC(C)(C)N;NDPIQAUIBSNHIJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224939;MM224939;C=CC(=O)NCC(C)(C)N;PAQPUJDVHSKVLT-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224940;MM224940;CC(=NOCCO)NO;OUYWVZJFZVWHCQ-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224941;MM224941;C=CC(=O)NCC(C)(C)O;QIAUSBQUCQLSJA-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224942;MM224942;CC(C)(O)CNC(=O)C#N;KDMWHXWFPJIYAO-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224943;MM224943;C=CC(=N)NCC(C)(C)F;LZDYTOFYOKAXRM-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224944;MM224944;CC(C)(F)CNC(=N)C#N;MXZDYOHXEPWACM-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224945;MM224945;CC(C)(F)CNC(=O)C#N;WEGOAOAEBYVEKX-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224946;MM224946;C=CC(=C)OCC(C)(C)C;RDFZYUBTYIKXMN-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224947;MM224947;C=C(C#N)OCC(C)(C)C;YMTHQOKCJGTSFO-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224948;MM224948;C=CC(=C)OCC(C)(C)O;GIBORDYHVAZZRA-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224949;MM224949;C=C(C#N)OCC(C)(C)O;MOKWNVCZTSTLKU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224950;MM224950;C=CC(=C)OCC(C)(C)F;NAOGDPBDTWNRAQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224951;MM224951;C=C(C#N)OCC(C)(C)F;VWMWYAYJEFFVBZ-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224952;MM224952;CC(C)(F)COC(=O)C#N;QRWZTBYGSWPLMO-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224953;MM224953;C=C(C=O)OCC(C)(F)F;YXJKROSUNQHYPP-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224954;MM224954;C=C(C#N)OCC(C)(F)F;BZHFTNDKMHHTCL-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224955;MM224955;CC(F)(F)COC(=O)C=O;ZFTYILBLRMEHQM-UHFFFAOYSA-N;152.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224956;MM224956;CC(F)(F)COC(=O)C#N;NYWULDJNHHOTBK-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224957;MM224957;C=C(C=O)OCC(F)(F)F;POXNTVXPQOYVBE-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224958;MM224958;C=C(C#N)OCC(F)(F)F;XWKURTMJGASAEX-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224959;MM224959;O=CC(=O)OCC(F)(F)F;XUMYJAUXFXFRNF-UHFFFAOYSA-N;156.06;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224960;MM224960;C=CC(=C)CNC(C)(C)C;ZWLAIKZAUSKRES-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224961;MM224961;C=C(C=O)CNC(C)(C)C;PUEXJRRNXBFKFU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224962;MM224962;C=CC(=O)CNC(C)(C)C;WJMGELLFGOTWTL-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224963;MM224963;NN=C(NO)NOC=O;GSKDSKSPOLWCNN-UHFFFAOYSA-N;134.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224964;MM224964;CC1OCC2(CO)NC12;KEZPWLUYSPYRQT-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224965;MM224965;CC1OC1C1(CO)CN1;JKJKTTAOYZVMRO-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224966;MM224966;C=CC(=C)COC(C)(C)C;JVMFUIBXGPXRMJ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224967;MM224967;C=C(C=O)COC(C)(C)C;YBLDADOAWDQFIQ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224968;MM224968;C=C(C#N)COC(C)(C)C;JUNWRAUJUIUXQI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224969;MM224969;C=CC(=O)COC(C)(C)C;LGSQFPQYYMKCGL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224970;MM224970;CC(C)(C)OCC(=O)C#N;UVWJHYZACFRKNF-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224971;MM224971;CC(C)(C)ON=C(N)C=O;RWMNZRZDWNAXBY-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224972;MM224972;C=C(C)CNN=CC(C)O;AQDSOUHFKGEUIM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224973;MM224973;C#CCc1n[nH]c(=N)o1;CBRUXYKEGDCTRK-UHFFFAOYSA-N;123.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224974;MM224974;N#CC#CC(=O)C(F)C=O;NILDMSNSJBPZGO-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224975;MM224975;C#CC(=C)CCC(C)(C)C;LGVJOFRYONNZNG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224976;MM224976;C#CC(=O)CCC(C)(C)C;RANRBKIKEUPDPV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224977;MM224977;C#CC(=C)CCC(C)(C)N;IYSFJSKIQOYKMD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224978;MM224978;CC(O)C=NN(C)C=NN;JDAMFXDTMXSJSX-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224979;MM224979;C#CC(=C)CCC(C)(C)F;OZLLNLRZICPCPR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224980;MM224980;C#CC(=C)CCC(F)(F)F;DKEQSJXRTRRGBC-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224981;MM224981;C#CC(=O)CCC(F)(F)F;YJZJEEZUZGLEKC-UHFFFAOYSA-N;150.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224982;MM224982;C#CC(=N)NCC(C)(C)C;DZZWSLRXVAJCNI-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224983;MM224983;C#CC(=O)NCC(C)(C)C;DHVUHAYJEJFPHC-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224984;MM224984;C#CC(=N)NCC(C)(C)N;UTHQPIWVMJFWMX-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224985;MM224985;C#CC(=O)NCC(C)(C)N;WAEZFGTYJLRUEM-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224986;MM224986;C#CC(=N)NCC(C)(C)O;GMRMRFXZPOOGBM-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224987;MM224987;C#CC(=O)NCC(C)(C)O;JVYZUSUJZGNKOA-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224988;MM224988;C#CC(=N)NCC(C)(C)F;LZNHVZJDJGWUOI-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224989;MM224989;C#CC(=O)NCC(C)(C)F;URDSADKUFPSVAL-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224990;MM224990;C#CC(=N)NCC(C)(F)F;YTTUXPZHVISEMJ-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224991;MM224991;C#CC(=O)NCC(C)(F)F;FCKVZMLUBILAHG-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224992;MM224992;C#CC(=C)OCC(C)(C)N;GYLPIGBKGNNBJE-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224993;MM224993;C#CC(=C)OCC(C)(C)O;JPQLKQVQVHHKGM-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224994;MM224994;C#CC(=C)OCC(C)(C)F;KZDKXBIPGRJFOR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224995;MM224995;C#CC(=O)OCC(C)(C)F;BSGWUNUWKPDDLH-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224996;MM224996;C#CC(=C)OCC(C)(F)F;NXDHFRUSTNCFNR-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224997;MM224997;C#CC(=O)OCC(C)(F)F;HUQFCRJRSLVAHF-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224998;MM224998;C#CC(=C)OCC(F)(F)F;ATGKRLRMGJWPLK-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM224999;MM224999;C#CC(=O)OCC(F)(F)F;VMGZMHJHJCJPBA-UHFFFAOYSA-N;152.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225000;MM225000;C#CC(=C)CNC(C)(C)C;XFLFNOVNEIUIEL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225001;MM225001;C#CC(=C)COC(C)(C)C;FZSAWFGGPZVFEO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225002;MM225002;C#CC(=O)COC(C)(C)C;HBXCMOYQPMHRFF-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225003;MM225003;C#CC(=O)NOC(C)(C)C;DGOOEIBILBWJPD-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225004;MM225004;CC=C(C)CCC(C)(C)C;QYZBKWSSNGNNDB-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225005;MM225005;CC=C(C)CCC(C)(C)N;ZBYNBTHVCVQQKS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225006;MM225006;CC(=CF)CCC(C)(C)N;CKXMRYACSYTISU-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225007;MM225007;CC=C(F)CCC(C)(C)N;FFPIZOUBXLLTGN-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225008;MM225008;CC(C)(N)CCC(F)=CF;JBFHCIKBXMTLEO-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225009;MM225009;CC(C#N)NC1(C)CC1O;KAGYXWBJGUALDZ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225010;MM225010;CCC(C)NN=CC(C)O;MTKAMQHISDJNTE-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225011;MM225011;CC=C(F)CCC(C)(C)O;IALREGSNBXRTAJ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225012;MM225012;CC(C)(O)CCC(F)=CF;VOPFGCVPKKYHMO-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225013;MM225013;CC=C(C)CCC(C)(C)F;APGLOIBSWKTPKP-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225014;MM225014;CC=C(C)CCC(C)(F)F;ONCCNTQLKUGTLT-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225015;MM225015;CC(=CF)CCC(C)(F)F;TUKBKEBOUUDYLE-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225016;MM225016;FC=C(F)CCC(F)(F)F;XLLGPNZMAILOLN-UHFFFAOYSA-N;160.09;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225017;MM225017;CC(CCC(C)(C)C)=NN;LCDDRJGKJVODGR-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225018;MM225018;CC(O)C=NNC(C)C#N;SDWFNUYTIBRQLL-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225019;MM225019;CC(CCC(C)(C)N)=NO;PSUDUBJIUREOBF-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225020;MM225020;C#CC(C)NN=CC(C)O;DOHOWWOPRJQZTI-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225021;MM225021;CC(CCC(C)(C)O)=NO;XBSIBZRPDXSZNQ-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225022;MM225022;CC(CCC(C)(C)F)=NN;KOBIKZDOYFXAFV-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225023;MM225023;CC(CCC(C)(F)F)=NN;SOPMDNLVYKHZNS-UHFFFAOYSA-N;150.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225024;MM225024;CC(CCC(F)(F)F)=NN;OJOPANOKEKVGKK-UHFFFAOYSA-N;154.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225025;MM225025;CC(CCC(F)(F)F)=NO;WGFMTUGBHIXGIQ-UHFFFAOYSA-N;155.12;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225026;MM225026;CC(O)C=NNC(=N)CF;IVTOQNBWBQNPNZ-UHFFFAOYSA-N;147.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225027;MM225027;CC(O)C=NNC(=N)C#N;WAIZHGOTCAUFDC-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225028;MM225028;CC(=CF)OCC(C)(C)F;DOTJRTGHTFCFGC-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225029;MM225029;CC(=CF)OCC(C)(F)F;OFVPRPCMZHSZNU-UHFFFAOYSA-N;154.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225030;MM225030;CC(=NO)OCC(C)(C)C;DVXHNEJDRUKYCA-UHFFFAOYSA-N;145.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225031;MM225031;CCC(=O)NC(C)C=NN;FTVAIKMNZXFCKJ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225032;MM225032;CC(=NO)OCC(C)(C)F;BGFCBMNOJGVEIA-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225033;MM225033;N=CN(CC(F)F)C(N)=O;RPROPQJQBPENFW-UHFFFAOYSA-N;151.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225034;MM225034;CC(=NO)OCC(C)(F)F;AUXDSWTWEPLORE-UHFFFAOYSA-N;153.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225035;MM225035;CC(O)C=NNCCCF;IXDAEECSXZIKJS-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225036;MM225036;CC=C(C)CNC(C)(C)C;KOBFBFZVTMDAEW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225037;MM225037;CC(=CF)CNC(C)(C)C;AGIITFLIRSRMJI-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225038;MM225038;CC(=NOC(C)(C)C)NN;VDTNZFRLLLQSPG-UHFFFAOYSA-N;145.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225039;MM225039;CC(O)C=NNCCC=O;DPDZSBRUJPSEOD-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225040;MM225040;CCC(C)C=CC(C)(C)C;IPIYIHGHFHBNAJ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225041;MM225041;CCC(N)C=CC(C)(C)C;MAXVXEJBGKXZOU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225042;MM225042;CC(O)C=NNCCC#N;AANSFENQNTUTQG-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225043;MM225043;CC(C)(C)C=CC(O)CO;VZMHDEYXFABZHS-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225044;MM225044;CCC(C)C=CC(C)(C)N;JMRDHGLCUYLSSD-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225045;MM225045;CC(C=CC(C)(C)N)CN;CXZICSINTJEQFT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225046;MM225046;CC(C=CC(C)(C)N)CF;DMDWVTCYRSIEBP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225047;MM225047;CCC(N)C=CC(C)(C)N;FIAQKIZFWXYTNR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225048;MM225048;CC(C)(N)C=CC(N)CO;KZTNAMBSQQPGQY-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225049;MM225049;CCC(O)C=CC(C)(C)N;SWWLVZDSUVDEJJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225050;MM225050;CC(O)C=NNCC=NN;AHIYMZLOSLKXLN-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225051;MM225051;CC(C=CC(C)(C)O)CN;VQEJPLULUVMKJX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225052;MM225052;CNN=CNN=CC(C)O;BHPZLMOCMKIGMA-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225053;MM225053;CN(N)C(=O)NCC=CF;VJYGQXJTCKNQQO-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225054;MM225054;CCC(N)C=CC(C)(C)O;IZYZVCOMEGPDRE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225055;MM225055;CC(C)(O)C=CC(N)CO;PAYDNFQERVKMMN-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225056;MM225056;CCC(O)C=CC(C)(C)O;ADAAPCQKIADYMQ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225057;MM225057;CC(C)(O)C=CC(O)CN;TTZJZQIUXUHRTI-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225058;MM225058;CCC(C)C=CC(C)(C)F;OFYZSBXWFWRZEJ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225059;MM225059;CON=C(N)C(C)C(N)=O;JVXDFZABUMMJIW-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225060;MM225060;CCC(O)C=CC(C)(C)F;BKYZJURBSGTHOA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225061;MM225061;CC(C)(F)C=CC(O)CO;JNEIPBHNUCONOQ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225062;MM225062;CC(C)(F)C=CC(O)CF;GPCVUTWAFOGWSG-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225063;MM225063;NC(C=CC(F)(F)F)CO;BJZZVMAPLFZBHK-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225064;MM225064;NCC(O)C=CC(F)(F)F;NFNRXLSLYLROIT-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225065;MM225065;OCC(O)C=CC(F)(F)F;RZKLTJXJPWOPGD-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225066;MM225066;CNC(C)C=CC(C)(C)N;WGJBJTYKEWILSL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225067;MM225067;CNC(C)C=CC(C)(C)O;UQAWULPWTBEVTR-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225068;MM225068;CNC(C)C=CC(C)(C)F;QRKFPBNLKFYPEQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225069;MM225069;CNC(C)C=CC(C)(F)F;LBFITPHLIZLMGP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225070;MM225070;CCN(C)N=CC(C)(C)F;JPHSMPIOBDCEJW-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225071;MM225071;CCN(C)C=NC(C)(C)C;ITHKJGFNPHGWIF-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225072;MM225072;C=CC(C)C=CC(C)(C)C;PBFKQSNJPFUUTN-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225073;MM225073;CC(C=O)C=CC(C)(C)C;BPFQHIDNURHKDM-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225074;MM225074;CC(C#N)C=CC(C)(C)C;OKRYTHUACAFDIB-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225075;MM225075;C=CC(O)C=CC(C)(C)C;MBZKCPLUFLDISC-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225076;MM225076;CC(C)(C)C=CC(O)C#N;MKEBTWCYGFOAAE-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225077;MM225077;C=CC(C)C=CC(C)(C)N;QBEFNZRYAZBCGX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225078;MM225078;C=CC(N)C=CC(C)(C)N;BZHGYGVOQRMSIW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225079;MM225079;C=CC(O)C=CC(C)(C)N;ANPDNBYBTGQCQA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225080;MM225080;C=CC(F)C=CC(C)(C)N;HPOKDJWTQAGSAY-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225081;MM225081;CCC1(O)CCC(=NN)C1;WBHQFCLYNMNOAO-UHFFFAOYSA-N;142.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225082;MM225082;C#CC(=NC(C)CF)NO;POHGHTUQIWYFKE-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225083;MM225083;C=CC(O)C=CC(C)(C)O;NWSORTLWJGEZDA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225084;MM225084;CC(C)(O)C=CC(O)C=O;KQHQIIOIDNISLQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225085;MM225085;C=CC(F)C=CC(C)(C)O;DFVBFERNDOKCEW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225086;MM225086;C=CC(C)C=CC(C)(C)F;YVTXFOHIQMRGRH-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225087;MM225087;CC(C=O)C=CC(C)(C)F;QRDJEQRIDUKQEX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225088;MM225088;CC(C)(F)C=CC(O)C#N;JESOPEBTXBBAIK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225089;MM225089;C=CC(F)C=CC(C)(C)F;SOTYIYJXGOXIJP-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225090;MM225090;C=CC(C)C=CC(C)(F)F;JNQCMNZFEIKNKB-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225091;MM225091;CC(F)(F)C=CC(O)C#N;NBKHYXHUGILTFW-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225092;MM225092;CC(C#N)C=CC(F)(F)F;BRFZHUSARIDWFZ-UHFFFAOYSA-N;149.12;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225093;MM225093;CN(C=N)C=CC(C)(C)C;NEWAKCMGXILXOK-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225094;MM225094;CN(C=O)C=CC(C)(C)C;RPCVTAVWHYPMFH-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225095;MM225095;CC(C)(C)C=CN(N)C=N;JEIHWNNOEQKLAY-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225096;MM225096;CC(C)(C)C=CN(N)C=O;VMYLMAUWTVUTPF-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225097;MM225097;CC(C)(C)C=CN(O)C=O;OPLHWQBBCFBOTI-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225098;MM225098;CN(C=N)C=CC(C)(C)N;OQJKQWVBHBRVEX-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225099;MM225099;CC(C)(N)C=CN(O)C=O;JRXKJUKNTOJFLU-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225100;MM225100;CN(C=N)C=CC(C)(C)F;KTBNEFJQFZQOMR-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225101;MM225101;CN(C=O)C=CC(C)(C)F;FYDHBSRWHDDQIP-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225102;MM225102;CC(C)(F)C=CN(N)C=N;QCBCPDVVVCDSGL-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225103;MM225103;CC(C)(F)C=CN(O)C=N;UMMFOCVGLSEPAQ-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225104;MM225104;CN(C=N)C=CC(C)(F)F;FQNVJYNFNXHTJX-UHFFFAOYSA-N;148.16;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225105;MM225105;CN(C=O)C=CC(C)(F)F;BOKFBSYTYCHGPF-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225106;MM225106;CN(C=O)N=CC(C)(C)F;XBXHMFPPZVDGNT-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225107;MM225107;CN(C=N)N=CC(C)(F)F;VZWGVYCPPCQWCE-UHFFFAOYSA-N;149.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225108;MM225108;CN(C=O)N=CC(C)(F)F;RJYQPENHSTWCFB-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225109;MM225109;C=CN(C)C=NC(C)(C)C;MOIZPEZQXPZQPN-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225110;MM225110;CN(C=N)C=NC(C)(C)C;BPXXDMRROLBAHM-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225111;MM225111;CN(C=O)C=NC(C)(C)C;QHNJFBJFDZIGFN-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225112;MM225112;C=NN(C)C=NC(C)(C)C;DILASKFSLCQSDP-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225113;MM225113;C#CC(C)C=CC(C)(C)C;AWBLUOOHYLJPLH-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225114;MM225114;C#CC(N)C=CC(C)(C)C;WLFHFZISHWYPKT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225115;MM225115;C#CC(O)C=CC(C)(C)C;DIIPSUYWSVIALP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225116;MM225116;C#CC(=NC(C)C=C)NO;GLBUECQHBBTXAB-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225117;MM225117;C#CC(C)C=CC(C)(C)F;VUOXCGBIRPQPTN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225118;MM225118;C=C(C=CC(C)(C)C)CC;NPOAOLWETBHBHI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225119;MM225119;C=C(C=CC(C)(C)C)CN;CABRMHNGLRQFTH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225120;MM225120;C=C(C=CC(C)(C)C)CO;OOYPEXCFRTXIID-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225121;MM225121;C=C(C=CC(C)(C)C)CF;HWYJQMOHKLBNST-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225122;MM225122;CCC(=O)C=CC(C)(C)C;PULAKFKNPWPSRZ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225123;MM225123;CC(C)(C)C=CC(=O)CF;RVHUJNREBMIAJG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225124;MM225124;C=C(C=CC(C)(C)N)CC;JMBUJGJSESXBAP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225125;MM225125;C=C(C=CC(C)(C)N)CO;AWBRCCOVLSQFSB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225126;MM225126;C#CC(=NC(C)C=O)NO;SJGZGUGUZNBWAP-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225127;MM225127;C=C(C=CC(C)(C)O)CN;VNZCJPHPDHZHSS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225128;MM225128;C#CC(=NC(C)C#C)NO;WWVUJUZUCHSUJC-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225129;MM225129;CCC(=O)C=CC(C)(C)O;CSQURUPIYADCNS-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225130;MM225130;CC(C)(O)C=CC(=O)CF;GEJIZBVDNKLLEI-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225131;MM225131;C=C(C=CC(C)(C)F)CC;IOFDOZDPZFIKEY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225132;MM225132;C=C(C=CC(C)(C)F)CF;POOWUTYYPFAYIT-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225133;MM225133;CCC(=O)C=CC(C)(C)F;WGRWQMFSIMQOBQ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225134;MM225134;CC(C)(F)C=CC(=O)CO;WEYLHZOUSHYZGM-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225135;MM225135;CC(C)(F)C=CC(=O)CF;KTJWCOCWTUGDBA-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225136;MM225136;O=C(C=CC(F)(F)F)CO;VYCHDKIMSIJIIO-UHFFFAOYSA-N;154.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225137;MM225137;CC(C)(C)C=CC(=N)NN;ZBGLIDDKBCSART-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225138;MM225138;C#CC(=NCC(C)F)NO;QUAZEFYLLOMJFK-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225139;MM225139;CNC(=N)C=CC(C)(C)F;QVWBWWXREGMQRN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225140;MM225140;CC(C)(F)C=CC(=N)NN;RIGGYCWKXIVHBP-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225141;MM225141;CC(C)(F)C=CC(=N)NO;DVVUUDKMAUCRPO-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225142;MM225142;CC(=O)ONC(=NN)NO;FGGXFLLDHANHMS-UHFFFAOYSA-N;148.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225143;MM225143;CNC(=N)C=CC(C)(F)F;VEBHMAFBUNPLRT-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225144;MM225144;CN(C)N=CC(C#N)CO;QNMYKIXAIPXWCR-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225145;MM225145;CNC(=N)C=CC(F)(F)F;UDXPGWWJCHXAAE-UHFFFAOYSA-N;152.12;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225146;MM225146;N=C(C=CC(F)(F)F)NN;MBVAACYMUFMZND-UHFFFAOYSA-N;153.11;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225147;MM225147;N=C(C=CC(F)(F)F)NO;JXAPIBJJEUZBHY-UHFFFAOYSA-N;154.09;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225148;MM225148;C=CC(=C)C=CC(C)(C)C;VVORMPPGOQONHM-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225149;MM225149;C=C(C=O)C=CC(C)(C)C;MMCWFLZFTRRSQK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225150;MM225150;C=C(C#N)C=CC(C)(C)C;BRYRMZNDUIYYDQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225151;MM225151;C=CC(=O)C=CC(C)(C)C;XPDMUMQKHQXLOO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225152;MM225152;CC(C)(C)C=CC(=O)C=O;CQRSGXLLUGAQFN-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225153;MM225153;C=CC(=C)C=CC(C)(C)N;WJWBWPUNHKXHGR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225154;MM225154;C=NN1CC(CO)(CO)C1;GQBUDKLHQGNZGS-UHFFFAOYSA-N;144.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225155;MM225155;CC1(C)OCC2(CO)NC21;WFXUEXVQMKQGGD-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225156;MM225156;CC1(C)OC1C1(CO)CN1;OHWFVJKLIYSXAZ-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225157;MM225157;C=CC(=O)C=CC(C)(C)O;SGCVIDXDZZLXBR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225158;MM225158;C=CC(=C)C=CC(C)(C)F;SEFKBXNMLYEKAX-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225159;MM225159;C=C(C=O)C=CC(C)(C)F;PFKJVHJJJKNIIQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225160;MM225160;CC(C)(F)C=CC(=O)C=O;XXMICNRVBCCOSP-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225161;MM225161;CC(F)(F)C=CC(=O)C=O;XTDSYNIWRZSOKM-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225162;MM225162;C#CC(=C)C=CC(C)(C)C;LBQJENUPPXAXGC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225163;MM225163;C#CC(=C)C=CC(C)(C)N;UBXWUKHUVRLWBK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225164;MM225164;CNC(=O)CON=CCO;VTVXOYWSRGSKDE-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225165;MM225165;C#CC(=C)C=CC(C)(C)F;OBLCKEOKNLRCHT-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225166;MM225166;C#CC(=C)C=CC(C)(F)F;MCTYZRDGCMSPPM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225167;MM225167;C#CC(=C)C=CC(F)(F)F;YEDBUXGXCCIQRA-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225168;MM225168;CC=C(C)C=CC(C)(C)C;ABDPZNVPUHUXKF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225169;MM225169;CC(C=CC(C)(C)C)=CF;AXPHKAHGXQZSNB-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225170;MM225170;CC=C(F)C=CC(C)(C)C;VFQVXLCBPWQEBZ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225171;MM225171;CC(C)(C)C=CC(F)=CF;FSLUQEWHSFDVSI-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225172;MM225172;CC=C(C)C=CC(C)(C)N;LJDKQZOBOOPODQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225173;MM225173;CC(C=CC(C)(C)N)=CF;PZYUXSUREDWYMO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225174;MM225174;CNc1nc(=O)ncn1N;LZFSQUDUWOTMIM-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225175;MM225175;C=NN(C=O)C(=CF)CO;XMBKTXIUWCIYAP-UHFFFAOYSA-N;146.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225176;MM225176;CC=C(C)C=CC(C)(C)F;IDASGGJIZCVTCY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225177;MM225177;CC(C=CC(C)(C)F)=CF;IFLKZNDATDUJJN-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225178;MM225178;CC(C=CC(C)(C)N)=NO;PTJJZJDONWLCAT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225179;MM225179;NC=C(CO)C(=NN)NO;PCOTWWRZSILOIL-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225180;MM225180;CCC(C)C#CC(C)(C)C;QYMFNNQNBIACHJ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225181;MM225181;CC(C#CC(C)(C)C)CN;IWCWPOBYNWDTMX-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225182;MM225182;CCC(N)C#CC(C)(C)C;ZUAXTCKLQHLXIZ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225183;MM225183;CC(C)(C)C#CC(N)CN;KAAAFGYJBDWJIH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225184;MM225184;CC(C)(C)C#CC(N)CO;YDKPZGGTYOYWGY-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225185;MM225185;CC(C)(C)C#CC(O)CO;GBEBIRQLWKJASP-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225186;MM225186;CCC(C)C#CC(C)(C)N;PJWXCHRVKRQMJK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225187;MM225187;CC(C#CC(C)(C)N)CO;VKCWTRHAUFJJLZ-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225188;MM225188;CC(C#CC(C)(C)N)CF;TYAGAZNBWVAUIX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225189;MM225189;CCC(N)C#CC(C)(C)N;WTIZYBIGFMQMNC-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225190;MM225190;CC(C)(N)C#CC(N)CO;JLZLJSDQBZUIRV-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225191;MM225191;CC(C)(N)C#CC(O)CF;VXBXNTWPCHDYFK-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225192;MM225192;CC(C)(N)C#CC(F)CO;WQVAHZQCQRNJTJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225193;MM225193;CCC(C)C#CC(C)(C)O;GCVJLHRNILUTPL-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225194;MM225194;CCC(N)C#CC(C)(C)O;ZTAIRUHVUIWENA-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225195;MM225195;CC(C)(O)C#CC(O)CF;VCGFTSQEWMWIIN-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225196;MM225196;CC(C)(O)C#CC(F)CN;IFVHYVYYHYBKLE-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225197;MM225197;CCC(C)C#CC(C)(C)F;OWASPANMYQYWFR-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225198;MM225198;CCC(N)C#CC(C)(C)F;ADLQANJVESCDEG-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225199;MM225199;CC(C)(F)C#CC(N)CO;NPEMVFRVZRURDU-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225200;MM225200;CC(C)(F)C#CC(F)CN;GCKIHNAAUZHVNL-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225201;MM225201;CC(C)(F)C#CC(F)CO;BMROSLKHLOMJII-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225202;MM225202;CC(C)(F)C#CC(F)CF;DUJNVZDCLZSMQZ-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225203;MM225203;CCC(C)C#CC(C)(F)F;RKXNIKNNLOBRIG-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225204;MM225204;CC(C#CC(C)(F)F)CO;ZYLDAHAPJBWXLB-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225205;MM225205;CC(F)(F)C#CC(N)CN;YEQVOBZGLIIFQP-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225206;MM225206;CC(F)(F)C#CC(O)CN;PEEHTCVWVTUGPF-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225207;MM225207;CC(F)(F)C#CC(O)CO;KGRCWRUNEJMTAE-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225208;MM225208;CC(F)(F)C#CC(F)CO;XPXSSNOQEDLHQI-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225209;MM225209;CNC(C)C#CC(C)(C)C;DGTBUIPOTCRJTC-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225210;MM225210;CNC(C)C#CC(C)(C)F;MVOQSTUIPOIAID-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225211;MM225211;COC(C)C#CC(C)(C)O;XRTHZLXXVZUHIS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225212;MM225212;COC(C)C#CC(C)(C)F;OCDCZOWLKJQANP-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225213;MM225213;COC(C)C#CC(C)(F)F;SMWFCHHERRGTCK-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225214;MM225214;COC(C)C#CC(F)(F)F;CAIFFRKAIFYGHI-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225215;MM225215;C=CC(C)C#CC(C)(C)C;XGKJREXJRZAZSB-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225216;MM225216;CC(C#N)C#CC(C)(C)C;SVOUQMCUOMQBBI-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225217;MM225217;C=CC(N)C#CC(C)(C)C;AKWDQSCGTXBBAF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225218;MM225218;C=CC(O)C#CC(C)(C)C;MOWPBNFGGOHZRW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225219;MM225219;CC(C)(C)C#CC(O)C#N;WQCVYTATCQTGGV-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225220;MM225220;C=CC(C)C#CC(C)(C)N;MTGDKCKQHYHPKL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225221;MM225221;C=CC(N)C#CC(C)(C)N;FFRCTSLQECXNRC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225222;MM225222;C=CC(C)C#CC(C)(C)O;YFDHJMXNWBLGIT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225223;MM225223;CC(C#N)C#CC(C)(C)O;OEAWSUCKYWKRSU-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225224;MM225224;C=CC(O)C#CC(C)(C)O;HJYUBSVQTVZWMH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225225;MM225225;CC(C)(O)C#CC(O)C#N;JHSZKICGRIEDJL-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225226;MM225226;CC(C)(O)C#CC(F)C#N;QYOUEWDOCUDNAW-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225227;MM225227;C=CC(C)C#CC(C)(C)F;ACUNCMDWXSVOED-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225228;MM225228;CC(C#N)C#CC(C)(C)F;ALROPHNTTNBLSO-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225229;MM225229;C=CC(N)C#CC(C)(C)F;YPHWPCWMANWWRT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225230;MM225230;C=CC(O)C#CC(C)(C)F;WUDQBYMVKQADHT-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225231;MM225231;CC(C)(F)C#CC(O)C#N;RIZJKCVZQJVSTA-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225232;MM225232;C=CC(C)C#CC(C)(F)F;WETAILWWKVYHBQ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225233;MM225233;CC(C#N)C#CC(C)(F)F;SMUGYUPRFVAZJA-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225234;MM225234;CC(F)(F)C#CC(O)C#N;NIDUETSDPSAFCA-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225235;MM225235;CC(F)(F)C#CC(F)C=O;UOIDNJBMDHXUDE-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225236;MM225236;CC(F)(F)C#CC(F)C#N;UYTJILFPHDRPSG-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225237;MM225237;C=CC(C)C#CC(F)(F)F;SIQGIFGGLCVPND-UHFFFAOYSA-N;148.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225238;MM225238;CC(C#N)C#CC(F)(F)F;VKUDMZNWUFRFCO-UHFFFAOYSA-N;147.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225239;MM225239;O=CC(O)C#CC(F)(F)F;XECZDFMOTNMWOI-UHFFFAOYSA-N;152.07;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225240;MM225240;O=CC(F)C#CC(F)(F)F;MJHXHSUNYFQBEK-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225241;MM225241;N#CC(F)C#CC(F)(F)F;XHDBJAJTSUYKPN-UHFFFAOYSA-N;151.06;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225242;MM225242;C#CC(C)C#CC(C)(C)C;VEVJQWGMEJZQCB-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225243;MM225243;C#CC(O)C#CC(C)(C)C;OQYNGGCAAJJDDW-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225244;MM225244;C#CC(F)C#CC(C)(C)C;MCKJLCQXZMJSRD-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225245;MM225245;C#CC(C)C#CC(C)(C)N;HKNKDGQEKQWGHX-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225246;MM225246;C#CC(F)C#CC(C)(C)N;OOVNDEPGDMKAAM-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225247;MM225247;C#CC(C)C#CC(C)(C)O;FOKUULJWEAXVTF-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225248;MM225248;C#CC(F)C#CC(C)(C)O;KWAOYLXHFAZKIA-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225249;MM225249;C#CC(C)C#CC(C)(C)F;SOJLSGWLCKXNLL-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225250;MM225250;C#CC(O)C#CC(C)(C)F;JSVPMWBJZJYAIW-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225251;MM225251;C#CC(C)C#CC(C)(F)F;WLKGJUODVLAPRZ-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225252;MM225252;C#CC(O)C#CC(C)(F)F;YWMFWUMWGAMHHO-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225253;MM225253;C#CC(F)C#CC(C)(F)F;DBOMNJZSKKGLOB-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225254;MM225254;C#CC(C)C#CC(F)(F)F;QDDQDWAERMDLLS-UHFFFAOYSA-N;146.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225255;MM225255;C#CC(O)C#CC(F)(F)F;GTNBQWOUVQGTHW-UHFFFAOYSA-N;148.08;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225256;MM225256;C#CC(F)C#CC(F)(F)F;VCWMHWNOTURASS-UHFFFAOYSA-N;150.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225257;MM225257;C=C(C#CC(C)(C)C)CC;VALSLOQMWRMDIG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225258;MM225258;C=C(C#CC(C)(C)C)CN;GLXGUCVIZTZVJX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225259;MM225259;C=C(C#CC(C)(C)C)CO;VDIFUVNMIYEBQI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225260;MM225260;C=C(C#CC(C)(C)C)CF;MMFWAFXWHHHKHJ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225261;MM225261;CCC(=O)C#CC(C)(C)C;UQBGQHDPPBKRIX-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225262;MM225262;C=C(C#CC(C)(C)N)CC;JSNLLAQBYHKZQS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225263;MM225263;C=C(C#CC(C)(C)O)CC;PMMRKOYSOROQQC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225264;MM225264;CCC(=O)C#CC(C)(C)O;XUHZEZBVAYBFCY-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225265;MM225265;CC(C)(O)C#CC(=O)CO;ZOCLZERVEUSFBP-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225266;MM225266;C=C(C#CC(C)(C)F)CC;IBMMTENTVLOKTA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225267;MM225267;C=C(C#CC(C)(C)F)CN;DSLFNHYVPYGPRT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225268;MM225268;C=C(C#CC(C)(C)F)CO;IJFYHVHSPAIGRF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225269;MM225269;CCC(=O)C#CC(C)(C)F;KVQVPGPFXUHONL-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225270;MM225270;C=C(C#CC(C)(F)F)CC;SKJQPSVJOVTRON-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225271;MM225271;C=C(C#CC(C)(F)F)CN;NMPHXHNOUCGTNO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225272;MM225272;C=C(C#CC(C)(F)F)CO;VCDSGYYULWEHSW-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225273;MM225273;CCC(=O)C#CC(C)(F)F;SOTGLHPWVZZGIB-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225274;MM225274;C=C(C#CC(F)(F)F)CC;GYKPKXDRXTXPCU-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225275;MM225275;C=C(C#CC(F)(F)F)CN;SBWVUWUETZPRGB-UHFFFAOYSA-N;149.12;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225276;MM225276;CCC(=O)C#CC(F)(F)F;PEVVQFPOELWSKK-UHFFFAOYSA-N;150.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225277;MM225277;O=C(C#CC(F)(F)F)CF;KDQAKLRVVNZCHD-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225278;MM225278;CNC(=N)C#CC(C)(C)C;ULEZRGBZWHJQRJ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225279;MM225279;CC(C)(C)C#CC(=N)NN;GKRBREAABZGARI-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225280;MM225280;CNC(=O)C#CC(C)(C)C;FSNGOTSMUNBJJQ-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225281;MM225281;CC(C)(C)C#CC(=O)NN;UHCNHOHFWBEHHO-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225282;MM225282;CC(C)(C)C#CC(=O)NO;LUEAKXZGDMRLMU-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225283;MM225283;CNC(=O)C#CC(C)(C)N;QFTBFQOTPMHEPL-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225284;MM225284;CNC(=O)C#CC(C)(C)O;VOJDPRCEQNKWJL-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225285;MM225285;CC(C)(O)C#CC(=O)NO;NWYMNEHOSDEJGR-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225286;MM225286;CNC(=N)C#CC(C)(C)F;IRNAQYNXYJOBRV-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225287;MM225287;CC(C)(F)C#CC(=N)NN;FXSFLTYJTADDCN-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225288;MM225288;CNC(=O)C#CC(C)(C)F;IMQPJWAVGSPGPJ-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225289;MM225289;CC(C)(F)C#CC(=O)NN;NFSRCZAXTIZVFN-UHFFFAOYSA-N;144.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225290;MM225290;CC(C)(F)C#CC(=O)NO;OQZDTVWIMHAMPP-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225291;MM225291;CNC(=N)C#CC(C)(F)F;YZPFUVPQUXHYHS-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225292;MM225292;CNC(=O)C#CC(C)(F)F;CXVIBXUUGAAMGK-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225293;MM225293;C=C(C#CC(C)(C)C)OC;VMZSAMDHDGBOAP-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225294;MM225294;C=C(C#CC(C)(C)N)OC;XHSGVFYQGMFYFN-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225295;MM225295;C=C(C#CC(C)(C)O)OC;MRXQHXQIRIGSJM-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225296;MM225296;COC(=O)C#CC(C)(C)F;KSHLEKQSTFCBDL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225297;MM225297;C=C(C#CC(C)(F)F)OC;KQFBTXFRFSLWNH-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225298;MM225298;COC(=O)C#CC(C)(F)F;HOGYXPPMQITLNL-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225299;MM225299;C=C(C#CC(F)(F)F)OC;IUWXCASAQMYTSQ-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225300;MM225300;COC(=O)C#CC(F)(F)F;QRIDXWUOPRURFC-UHFFFAOYSA-N;152.07;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225301;MM225301;C=CC(=C)C#CC(C)(C)C;PRFUWBGZYKAVSK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225302;MM225302;C=C(C#CC(C)(C)C)C=O;DTKLZXJQFDWTPM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225303;MM225303;C=C(C#N)C#CC(C)(C)C;HIQNNIZLRLBLHP-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225304;MM225304;C=CC(=O)C#CC(C)(C)C;GMNGWIMZYLMRAO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225305;MM225305;CC(C)(C)C#CC(=O)C#N;IQFOTBDHGPNQPM-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225306;MM225306;C=CC(=C)C#CC(C)(C)N;KEAYIBJBEDUOTG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225307;MM225307;C=CC(=C)C#CC(C)(C)O;MPNCRNDWQRRYSK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225308;MM225308;C=C(C#CC(C)(C)O)C=O;MDQLJPOWJDIMBU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225309;MM225309;C=C(C#N)C#CC(C)(C)O;MDXCLBVUKSNEQX-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225310;MM225310;C=CC(=O)C#CC(C)(C)O;MQNRAQLYMTZBRJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225311;MM225311;C=CC(=C)C#CC(C)(C)F;NOLHLLDLHGJDPQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225312;MM225312;C=C(C#CC(C)(C)F)C=O;ZYMJXCNJJCSMBE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225313;MM225313;C=C(C#N)C#CC(C)(C)F;KNWSQCTYTCDDJU-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225314;MM225314;C=CC(=O)C#CC(C)(C)F;KVUMPLNRCSHYGY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225315;MM225315;CC(C)(F)C#CC(=O)C=O;KSNZPXQDKMZBGE-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225316;MM225316;CC(C)(F)C#CC(=O)C#N;KLXFZKYTTJFDTL-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225317;MM225317;C=CC(=C)C#CC(C)(F)F;YVTZYRIPQSJCEK-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225318;MM225318;C=C(C#CC(C)(F)F)C=O;WLGWUPQMWRLLOO-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225319;MM225319;C=C(C#N)C#CC(C)(F)F;XCCWTODHZIIUSA-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225320;MM225320;C=CC(=O)C#CC(C)(F)F;UZHWIGSDXMFUQW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225321;MM225321;CC(F)(F)C#CC(=O)C=O;HNTANOWENKHBMR-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225322;MM225322;CC(F)(F)C#CC(=O)C#N;CBELZSSEIHQEQP-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225323;MM225323;C=CC(=C)C#CC(F)(F)F;SMPFEDHVARICAU-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225324;MM225324;C=C(C#CC(F)(F)F)C=O;CYAFKTZSAGMQIO-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225325;MM225325;C=C(C#N)C#CC(F)(F)F;POYCCURGCUNXIY-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225326;MM225326;C=CC(=O)C#CC(F)(F)F;BPDMTPKGUYPTIR-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225327;MM225327;N#CC(=O)C#CC(F)(F)F;VGJCOZGLWJQTNP-UHFFFAOYSA-N;147.06;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225328;MM225328;C#CC(=C)C#CC(C)(C)C;GKFBGVMAWHDQPH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225329;MM225329;C#CC(=O)C#CC(C)(C)C;UOCRKXJECYZIJV-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225330;MM225330;C#CC(=C)C#CC(C)(C)N;YXHWCNAVYCMCKT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225331;MM225331;C#CC(=C)C#CC(C)(C)O;HKFNBZACMYSKPK-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225332;MM225332;C#CC(=O)C#CC(C)(C)O;IJBKQLLXMIWNIH-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225333;MM225333;C#CC(=C)C#CC(C)(C)F;YJIUCIKBTSGIFG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225334;MM225334;C#CC(=O)C#CC(C)(C)F;HRNWRWPBHDXREM-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225335;MM225335;C#CC(=C)C#CC(C)(F)F;UJVOEULCMOBHGF-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225336;MM225336;C#CC(=O)C#CC(C)(F)F;CRRZHMQLTWJQFJ-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225337;MM225337;C#CC(=C)C#CC(F)(F)F;HSHXQRPLYDQGHO-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225338;MM225338;C#CC(=O)C#CC(F)(F)F;XXPKJMVTZQJOPT-UHFFFAOYSA-N;146.07;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225339;MM225339;CC=C(C)C#CC(C)(C)C;MIZTUODLXFSHFA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225340;MM225340;CC(C#CC(C)(C)C)=CF;OYZUBDPPCSSKNU-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225341;MM225341;CC=C(C)C#CC(C)(C)N;KXGDNHRJVUNONC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225342;MM225342;CC(C#CC(C)(C)N)=CF;SVVLTFOZLTZSDC-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225343;MM225343;CC=C(C)C#CC(C)(C)O;SXLGKVXFEFSAKJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225344;MM225344;CC(C#CC(C)(C)O)=CF;XLZLMMMEUBAHIZ-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225345;MM225345;CC=C(C)C#CC(C)(C)F;WWWZTKLGHQJMDF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225346;MM225346;CC(C#CC(C)(C)F)=CF;MOCFNROPUOEUPO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225347;MM225347;CC=C(C)C#CC(C)(F)F;XLBZHPKRSWDFEN-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225348;MM225348;CC=C(C)C#CC(F)(F)F;UCZBSBJZDPZTTB-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225349;MM225349;CC(C#CC(C)(C)C)=NN;CCUQSXWAOXOYBF-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225350;MM225350;CC(C#CC(C)(C)F)=NO;COWRRHMMMVQMRB-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225351;MM225351;CC(C#CC(C)(F)F)=NO;MLRYEWQYMBVUBH-UHFFFAOYSA-N;147.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225352;MM225352;CCC(C)=CCC(C)(C)C;VBSJBEXMHZFBST-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225353;MM225353;CC(=CCC(C)(C)C)CN;IRTGWKIINQTFMX-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225354;MM225354;CC(=CCC(C)(C)C)CO;JKTBWXKBIBEZRZ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225355;MM225355;CC(=CCC(C)(C)C)CF;VZIJMGUGPNBXTL-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225356;MM225356;CCC(C)=CCC(C)(C)N;APVROBPSRKFVNS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225357;MM225357;CC(=CCC(C)(C)N)CN;JVPQMQRTOYPFLJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225358;MM225358;CC(=CCC(C)(C)N)CF;BLXBFQFADATSBT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225359;MM225359;CCC(F)=CCC(C)(C)N;IOHQVHSCQATOCP-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225360;MM225360;CC(C)(N)CC=C(F)CN;JYNOQJFQTPXJSP-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225361;MM225361;CC(C)(N)CC=C(F)CF;WRVGRTATWQOTAM-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225362;MM225362;OCC=NNC(CO)CF;XSHDPOAENGVTRU-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225363;MM225363;CC(=CCC(C)(C)O)CN;FOSIOMWXJZGDSB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225364;MM225364;CCC(=NOCCO)NO;RLONWMIUUHNPQS-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225365;MM225365;CCC(F)=CCC(C)(C)O;XCHXFLBIDPJHAX-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225366;MM225366;CC(C)(O)CC=C(F)CF;LCGAZUCNQXRQII-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225367;MM225367;CCC(C)=CCC(C)(C)F;IMANBXPPXJRFMW-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225368;MM225368;CC(=CCC(C)(C)F)CN;OJWZRECGGMEMAU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225369;MM225369;CC(=CCC(C)(C)F)CF;MZWCDWVTSCXMFC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225370;MM225370;CCC(C)=CCC(C)(F)F;IEFSIVSEQZAGNT-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225371;MM225371;CC(=CCC(C)(F)F)CN;JMWGPGZNSGGAPP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225372;MM225372;CC(=CCC(C)(F)F)CF;UUYPSYDTEULQDB-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225373;MM225373;CC(=CCC(F)(F)F)CN;GMKPNAAQSZOLSL-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225374;MM225374;CC(=CCC(F)(F)F)CF;HJFAHDUQIXBBTP-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225375;MM225375;COC(C)=CCC(C)(C)C;HCOFPGKKEADVNM-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225376;MM225376;COC(C)=CCC(C)(C)N;XKKZVECJJUYARC-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225377;MM225377;COC(C)=CCC(C)(C)O;HMDWLBGAYOOJEP-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225378;MM225378;COC(C)=CCC(C)(C)F;WLDVVNSFRAIPAM-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225379;MM225379;COC(C)=CCC(C)(F)F;PITQWFAMFBROKB-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225380;MM225380;CCC(C)=NNC(C)(C)C;BGYROZINELAMHD-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225381;MM225381;C#CC(=NCC=NN)NO;ZBAUFFYVRSEZFO-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225382;MM225382;CC(CF)=NNC(C)(C)C;CAIALQLDSJVMGL-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225383;MM225383;CCC(C)=COC(C)(C)C;HGUFXNHYFCDLFW-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225384;MM225384;COC(C)=COC(C)(C)C;GNBAQBJNJAMNTN-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225385;MM225385;CCC(C)=NOC(C)(C)C;IMVREPHBXDYVFP-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225386;MM225386;C#CC(=NCC#CC)NO;BMOPEIZUJLPGFF-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225387;MM225387;CC(=NO)NOC(C)(C)C;JRCRWUQRIISHQL-UHFFFAOYSA-N;146.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225388;MM225388;COC(C)=NOC(C)(C)C;YNZFQUBHQPQJTI-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225389;MM225389;C=CC(C)=CCC(C)(C)C;ODSTXGSCEHFECP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225390;MM225390;CC(C=O)=CCC(C)(C)C;VKCCTXHIACUQCF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225391;MM225391;CC(C)(C)CC=C(F)C#N;NIHCYWAFDFXRKN-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225392;MM225392;C=CC(C)=CCC(C)(C)N;LNULYFJVJKDGFG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225393;MM225393;C=CC(F)=CCC(C)(C)N;ULPKMOVCEHEMAZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225394;MM225394;CCNN=CC(C#N)CO;UKUJYXFOXFSTER-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225395;MM225395;C=NOC(C)C(C#N)CO;ZFMZVHRPNISQJH-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225396;MM225396;CC(C)(O)CC=C(F)C=O;MGBSZEXRCAMLDZ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225397;MM225397;CC(C=O)=CCC(C)(C)F;RWYPIOLQBXPYBI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225398;MM225398;C=CC(C)=CCC(C)(F)F;SDLXWTBNKXEGOC-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225399;MM225399;CC(C=O)=CCC(C)(F)F;AYGQAXCBMXRIPM-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225400;MM225400;CC(C=O)=CNC(C)(C)C;WFDLMEDOVHNCCE-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225401;MM225401;CC(C)(C)NC=C(F)C=O;NZNZTASJPFQBMN-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225402;MM225402;C=CC(C)=NNC(C)(C)C;FZZITTIFGKDKIZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225403;MM225403;C=CC(C=O)N(O)C=NC;ZJBOPZVUQAXDKK-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225404;MM225404;C=CC(C)=COC(C)(C)C;KCFWNVZKOQGRCU-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225405;MM225405;C#CC(C)=CCC(C)(C)C;SBKKCGPZHOBRJT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225406;MM225406;C#CC(F)=CCC(C)(C)C;HUOPWRQEVGQUMB-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225407;MM225407;C#CC(C)=CCC(C)(C)N;QWPREIPCYBUCOR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225408;MM225408;C#CC(F)=CCC(C)(C)N;BZFUWVCIDVLSOJ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225409;MM225409;C#CC(C)=NNC(C)(C)C;OGYMOMSKRWOBSZ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225410;MM225410;CC(C)C(C)C(C)(C)CN;KFVCHZSPZQVJAB-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225411;MM225411;CCC(C)(C)C(C)C(C)N;WDIOKIOXAVYACI-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225412;MM225412;CC(N)C(C)C(C)(C)CN;MVMLXGBVQJXDTI-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225413;MM225413;CC(N)C(C)C(C)(C)CO;VQTFZCGEGVHXFT-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225414;MM225414;CC(N)C(C)C(C)(C)CF;LGEDWEJSAGXSBU-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225415;MM225415;CC(F)C(C)C(C)(C)CO;AUCKXFWFWNVXTR-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225416;MM225416;CC(C(F)F)C(C)(C)CN;KNMSEULLUALEHN-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225417;MM225417;CC(C)C(N)C(C)(C)CN;FPDKNHYYJXJJGC-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225418;MM225418;CC(C)C(N)C(C)(C)CF;JDRCWIKWVUMDNY-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225419;MM225419;CCC(C)(C)C(N)C(C)N;MAYLEPHYLHGJNG-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225420;MM225420;CC(O)C(N)C(C)(C)CO;AWBFYKFXVHMJRF-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225421;MM225421;CC(F)C(N)C(C)(C)CN;LNJFRJSAKKMSKL-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225422;MM225422;CC(F)C(N)C(C)(C)CF;UAVXVZBQHPXYLN-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225423;MM225423;CC(N)C(O)C(C)(C)CO;DZRONZICSJXQKQ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225424;MM225424;CCC(C)(C)C(O)C(C)O;GCTJBMSMHWZEHW-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225425;MM225425;CC(F)C(O)C(C)(C)CO;AJLZSISCWPMAFX-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225426;MM225426;CC(C)(CO)C(O)C(F)F;IRPKFGDZGGJTTC-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225427;MM225427;CC(C)C(F)C(C)(C)CN;TZSOIBLKEPGSBM-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225428;MM225428;CC(C)C(C)C(C)(N)CN;HRZYFXCSXHXJNT-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225429;MM225429;CC(O)C(C)C(C)(N)CO;NENJDMZMMKCGFG-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225430;MM225430;CC(F)C(C)C(C)(N)CF;JCJVAFXMNOJXOC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225431;MM225431;CCC(C)(N)C(C)C(F)F;CABANFRDPURGSF-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225432;MM225432;CC(C)C(N)C(C)(N)CF;CGKYNKCHEPIYFB-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225433;MM225433;CCC(C)(N)C(N)C(C)O;PJRUUKNVBNDTKT-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225434;MM225434;CC(F)C(N)C(C)(N)CF;PJYXIGXNODHNCR-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225435;MM225435;CC(C)C(O)C(C)(N)CO;SPVAAHLWZXLMHH-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225436;MM225436;CCC(C)(N)C(O)C(C)N;ZARZOLRNZFNPMK-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225437;MM225437;CC(N)C(O)C(C)(N)CN;WHSOPXNDRSDTNN-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225438;MM225438;CC(N)C(O)C(C)(N)CO;BYHBVYZCUGFMRW-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225439;MM225439;CC(O)C(O)C(C)(N)CO;LCYNKLCIUIDNTE-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225440;MM225440;CC(N)(CO)C(O)C(F)F;YZUWQBREIHAPFS-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225441;MM225441;N#CC=C(N)C(C#N)CO;NTIMDRNKWZXMRN-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225442;MM225442;CC(C)C(C)C(C)(O)CO;CXBDGMQUQHMKRT-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225443;MM225443;CCC(C)(O)C(N)C(C)C;PRJDWDWNOPZGNZ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225444;MM225444;CC(N)C(N)C(C)(O)CO;LVXSMUXUJCCHJH-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225445;MM225445;CCC(C)(O)C(N)C(C)O;NHZWOBABOPIDPC-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225446;MM225446;CC(O)C(N)C(C)(O)CO;LILHSWGYHCPYJF-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225447;MM225447;CC(F)C(N)C(C)(O)CN;LGBBHKOMCSHAPK-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225448;MM225448;CCC(C)(O)C(O)C(C)N;KAZDQPXQPNCOHH-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225449;MM225449;CC(N)C(O)C(C)(O)CN;IZKWSVOPQJIWEL-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225450;MM225450;CC(N)C(O)C(C)(O)CO;ROFNQUAUHYKZIX-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225451;MM225451;CC(O)C(O)C(C)(O)CN;NBLYGHRPWAQNOT-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225452;MM225452;CC(O)C(O)C(C)(O)CO;UVSVEGQPEFXEEN-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225453;MM225453;CC(O)C(O)C(C)(O)CF;NMIBSDXIXLGBBQ-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225454;MM225454;CCC(C)(O)C(O)C(C)F;LSMLTMMTEYOSIH-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225455;MM225455;CC(F)C(O)C(C)(O)CO;YVAKYQOWBKKXFQ-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225456;MM225456;CC(O)(CN)C(O)C(F)F;NJMCEXUBOAKEDO-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225457;MM225457;CC(N)C(F)C(C)(O)CO;RHCDMDRIXNHYFB-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225458;MM225458;CC(F)C(F)C(C)(O)CO;HLNNEIMOHUBVCD-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225459;MM225459;CC(C)C(C)C(C)(F)CN;JKPCNGKJPSHMAH-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225460;MM225460;CCC(C)(F)C(C)C(C)N;LZKAWRRUTWLWDD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225461;MM225461;CC(N)C(C)C(C)(F)CN;YVKQWLPAQQZPQT-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225462;MM225462;CC(F)C(C)C(C)(F)CN;NUFIKLQAZBLURX-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225463;MM225463;CCC(C)(F)C(N)C(C)C;ZDGBXPBKPAPDGT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225464;MM225464;CC(C)C(F)C(C)(F)CN;GOSCQYVUJDSXKR-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225465;MM225465;CC(N)C(F)C(C)(F)CN;WUOPVBNIPHHEOO-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225466;MM225466;CC#Cc1cnc(NC)o1;RIRFLLUHKIOMHG-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225467;MM225467;CCC(F)(F)C(O)C(C)N;YCOVDIVTKGPTFZ-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225468;MM225468;CC(F)C(O)C(F)(F)CO;LDUBZRMCQXWKBR-UHFFFAOYSA-N;158.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225469;MM225469;CNC(C)(C)C(C)C(C)C;LJSXBAXHJGFDMR-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225470;MM225470;CNC(C)(C)C(C)C(C)N;ULIYJDQOYZHYIX-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225471;MM225471;CNC(C)(C)C(C)C(C)O;QBLZCIOBJKODMY-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225472;MM225472;CNC(C)(C)C(N)C(C)C;OPVDZRBVJMTZKN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225473;MM225473;CNC(C)(C)C(O)C(C)F;OTLSYJCGUHAIBU-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225474;MM225474;CNC(C)(C)C(O)C(F)F;YABHXQVFWODEQS-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225475;MM225475;CNC(C)(C)C(F)C(C)C;VBCBBNSNAPEMMV-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225476;MM225476;COC(C)(C)C(C)C(C)N;HDDYGOKCSVEENW-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225477;MM225477;COC(C)(C)C(O)C(C)N;IFBCPVDMOZUUJT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225478;MM225478;COC(C)(C)C(O)C(F)F;OQVUMTMLRCEUJP-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225479;MM225479;CC(N(C)C)C(C)(C)CN;KSJCMEOGQVINTB-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225480;MM225480;CC(N(C)C)C(C)(C)CO;DSVIJTBCJMCXJF-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225481;MM225481;CCC(C)(F)C(C)N(C)C;GLLDYCMWCARBIN-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225482;MM225482;CC(C)N(C)C(C)(C)CN;CFILNVCMPSGFSR-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225483;MM225483;CC(C)N(C)C(C)(C)CF;YDAMNUHIJSVHMY-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225484;MM225484;CCNc1ncn(C=N)n1;YZJZAOKFBFKINS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225485;MM225485;C=CC(C)(C)C(C)C(C)F;DRRGGGNAQZYHEW-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225486;MM225486;C=CC(C)(C)C(C)C(F)F;ZGFLLGJAVKYTIR-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225487;MM225487;C=CC(C)(C)C(N)C(C)C;PUDIYWDEVZOYQM-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225488;MM225488;C=CC(C)(C)C(N)C(C)N;SFEYMTRBSCTGDH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225489;MM225489;C=CC(C)(C)C(N)C(C)F;AGJMVSLPLSMWCY-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225490;MM225490;C=CC(C)(C)C(O)C(C)O;UMTQSDKXGLSIKN-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225491;MM225491;CC(O)C(O)C(C)(C)C=O;QJHVQKPTWCDKTF-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225492;MM225492;C=CC(C)(C)C(F)C(C)N;SKVBTQCSIOQBPT-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225493;MM225493;C=CC(C)(C)C(F)C(C)F;KARIWZORFDEVSE-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225494;MM225494;C=CC(C)(N)C(C)C(C)C;FMAGVPRGTFTYDB-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225495;MM225495;C=CC(C)(N)C(C)C(C)N;FIWSLTJRDJRWFO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225496;MM225496;C=CC(C)(N)C(C)C(F)F;IGQUFDJIHVQXNH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225497;MM225497;C=CC(C)(N)C(O)C(C)N;WRVMBGRINSSEHQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225498;MM225498;C=CC(C)(N)C(O)C(C)O;FKJVLGOQNMFIMM-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225499;MM225499;C=CC(C)(N)C(F)C(C)C;VDCDZEPPYPHKRB-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225500;MM225500;C=CC(C)(N)C(F)C(C)F;QGSKJJIKHJGGBQ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225501;MM225501;CC(C)C(C)C(C)(O)C#N;OGEYYDRIRHYGMH-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225502;MM225502;C=CC(C)(O)C(C)C(C)O;AYTIYMFSZQCBJE-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225503;MM225503;CC(O)C(C)C(C)(O)C=O;DRUKJGHNQLHVED-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225504;MM225504;CC(O)C(C)C(C)(O)C#N;BPQPHEBVCRRXIG-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225505;MM225505;C=CC(C)(O)C(C)C(C)F;PNTPMUKAGICUHZ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225506;MM225506;C=CC(C)(O)C(O)C(C)O;SRRUADBGJWJFDA-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225507;MM225507;CC(O)C(O)C(C)(O)C=O;VSEGMSAFLPSFSI-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225508;MM225508;CC(O)C(O)C(C)(O)C#N;SZTBGDZDLJIRNU-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225509;MM225509;CC(O)(C#N)C(O)C(F)F;NGVIHWVRONHLKM-UHFFFAOYSA-N;151.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225510;MM225510;C=CC(C)(O)C(F)C(C)C;UPFLYQXVUWOVAJ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225511;MM225511;C=CC(C)(F)C(C)C(C)N;IKNJNNAWNXCKOK-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225512;MM225512;C=CC(C)(F)C(N)C(C)N;GIHIJWGQPPVSSC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225513;MM225513;CC(F)C(O)C(C)(F)C=O;SDLCNHSZYZDFAF-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225514;MM225514;CC(F)C(O)C(C)(F)C#N;CVJFMJOYGBIGJA-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225515;MM225515;C=CC(F)(F)C(O)C(C)N;KRPXHJXWKXQPSZ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225516;MM225516;CC(F)C(O)C(F)(F)C=O;OQQLKLRBNCHGPU-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225517;MM225517;CC(F)C(O)C(F)(F)C#N;ISVHIEBAZGCUPN-UHFFFAOYSA-N;153.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225518;MM225518;N#CC(F)(F)C(O)C(F)F;ZCYBTTAPSKBDRJ-UHFFFAOYSA-N;157.07;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225519;MM225519;C#CC(C)(C)C(C)C(C)C;UNJARCBGKRQTCH-UHFFFAOYSA-N;138.25;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225520;MM225520;C#CC(C)(C)C(C)C(C)N;FHNLBBJTXVNENU-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225521;MM225521;C#CC(C)(C)C(C)C(C)F;SVAWWLJFTBPANB-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225522;MM225522;C#CC(C)(C)C(N)C(C)C;OYOUBBIAMMTYPX-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225523;MM225523;C#CC(C)(C)C(N)C(C)N;ZVTOPEHMWYZNAT-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225524;MM225524;C#CC(C)(C)C(N)C(C)F;CUOONHXOIZRXJF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225525;MM225525;C#CC(C)(C)C(F)C(C)C;IQZXKYHUDUVYBL-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225526;MM225526;C#CC(C)(C)C(F)C(C)N;NHZZFYVGLFBMTM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225527;MM225527;C#CC(C)(N)C(C)C(C)C;FJNQBPXNYDDCJL-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225528;MM225528;C#CC(C)(N)C(C)C(C)N;ZBDHQQNKJUXYSZ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225529;MM225529;C#CC(C)(N)C(N)C(C)C;ZFIBCLVHMIFMKL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225530;MM225530;C#CC(C)(N)C(O)C(C)N;LZNSJJKRMIMGNL-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225531;MM225531;C#CC(C)(N)C(O)C(C)O;XLWFFALRHNKDRZ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225532;MM225532;C#CC(C)(O)C(C)C(C)C;NCZSDCVSJDWXEK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225533;MM225533;C#CC(C)(O)C(N)C(C)O;GYFUZGNZOROJDA-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225534;MM225534;C#CC(C)(O)C(O)C(C)N;OERMLNHOMAOAMW-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225535;MM225535;C#CC(C)(O)C(F)C(C)N;RZRLWAKRAZRPFL-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225536;MM225536;C#CC(C)(O)C(F)C(F)F;NMQPYLUMFPBPHB-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225537;MM225537;C#CC(C)(F)C(C)C(C)C;BKLXUJWSVCFPLK-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225538;MM225538;C#CC(C)(F)C(N)C(C)C;SYGDATMZRMBVQC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225539;MM225539;C#CC(C)(F)C(O)C(F)F;BETVWALKXAIVPZ-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225540;MM225540;N=C1CC(=O)CCN1C=O;VSKRNAKCXGGHLP-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225541;MM225541;C#CC(F)(F)C(O)C(C)F;PVTMVFVDHVNQTF-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225542;MM225542;C#CC(F)(F)C(O)C(F)F;GTXJARCGMNCYFY-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225543;MM225543;C#CC(F)(F)C(F)C(C)O;KZOFOSXGWSPXAE-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225544;MM225544;C=C(C)C(C)C(C)(C)CF;XBHKSDXZXVOFLY-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225545;MM225545;CCC(C)(C)C(C)C(C)=O;QEZGYOHBSADXFM-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225546;MM225546;CC(=O)C(C)C(C)(C)CF;BEQNXVUQHIJQBF-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225547;MM225547;CCC(C)(C)C(C)C(=N)N;MOPOLXDTSAMQHA-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225548;MM225548;N=C(NN)n1ocnc1=O;CUBIQLJLKCACJU-UHFFFAOYSA-N;143.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225549;MM225549;CC(C(=O)O)C(C)(C)CF;JJSQYTVNOYEEPA-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225550;MM225550;C=C(F)C(C)C(C)(C)CC;NEMIKCIJCIIFLL-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225551;MM225551;C=C(F)C(C)C(C)(C)CN;STBLTIUEGMEJHS-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225552;MM225552;C=C(C)C(N)C(C)(C)CO;HMNVDLBPGMVGSF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225553;MM225553;C=C(C)C(N)C(C)(C)CF;LFWIPTLIPFMJGN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225554;MM225554;CCC(C)(C)C(O)C(=N)N;PRLXTLWLEYGDQK-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225555;MM225555;CC(C)(CF)C(O)C(=N)N;BDVNLKDWBFLLTN-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225556;MM225556;Cn1nnc(=NO)[nH]c1=O;UPZACFWPHZHWGJ-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225557;MM225557;C=C(F)C(O)C(C)(C)CN;UUCFNKBVQNZSTQ-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225558;MM225558;C=C(C)C(F)C(C)(C)CN;PFYSGTLOYLFWBH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225559;MM225559;CC(=O)C(F)C(C)(C)CF;UFRNAQGDFGMZEP-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225560;MM225560;CC(C)(CN)C(F)C(=N)N;PUKPRENSHBVVIR-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225561;MM225561;CC(C)(CN)C(F)C(N)=O;MUHSYRQFFKGKKT-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225562;MM225562;CC(C)(CO)C(F)C(N)=O;JZULYSTVIAVLSZ-UHFFFAOYSA-N;149.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225563;MM225563;C=C(C)C(C)C(C)(N)CC;HYPBXPTWIVBPTM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225564;MM225564;CCC(C)(N)C(C)C(N)=O;OXBKIRUJDPNHON-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225565;MM225565;C=C(F)C(C)C(C)(N)CF;JSXDYSHBLAKIPW-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225566;MM225566;CCC(C)(N)C(N)C(=N)N;FTHQXMQFZWASAI-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225567;MM225567;CC(N)(CN)C(N)C(=N)N;HPRFSNCNZYPZTB-UHFFFAOYSA-N;145.21;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225568;MM225568;CC(N)(CN)C(N)C(N)=O;HJKRDDIBLCOJLI-UHFFFAOYSA-N;146.19;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225569;MM225569;CCC(C)(N)C(O)C(=N)N;ZNKQHMWQHRVSRM-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225570;MM225570;CC(N)(CN)C(O)C(=N)N;DSVNGXVTCIXPAA-UHFFFAOYSA-N;146.19;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225571;MM225571;CC(N)(CO)C(O)C(=N)N;IHWUZQUZHDHMHA-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225572;MM225572;CCC(C)(N)C(O)C(N)=O;MAZIEXKWUAONOH-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225573;MM225573;CC(N)(CO)C(O)C(N)=O;RGGOHBSWQINZIU-UHFFFAOYSA-N;148.16;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225574;MM225574;C=C(F)C(O)C(C)(N)CC;IGCJOMLBIRNEFA-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225575;MM225575;C=C(C)C(C)C(C)(O)CO;IRHCOWKKTXTDJW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225576;MM225576;CCC(C)(O)C(C)C(C)=O;LVNRFVSHPNTRQK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225577;MM225577;C=C(C)C(N)C(C)(O)CC;XKDUNVJBNVGJOY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225578;MM225578;CCC(C)(O)C(N)C(=N)N;HTLKXAJYIMHEIU-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225579;MM225579;CC(O)(CO)C(N)C(=N)N;ONZDFGGPUZCWGZ-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225580;MM225580;CC(=O)C(O)C(C)(O)CO;CBUKMSAKZIPOGL-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225581;MM225581;CCC(C)(O)C(O)C(=N)N;QRGNZKOEIIPDNM-UHFFFAOYSA-N;146.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225582;MM225582;CCC(C)(O)C(O)C(N)=O;GBDTYVFAWDJLRY-UHFFFAOYSA-N;147.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225583;MM225583;O=c1nc(O)[nH]n(O)c1=O;AXYKEEXIAQOQOI-UHFFFAOYSA-N;145.07;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225584;MM225584;O=c1cn[nH]c(O)n1;SSPYSWLZOPCOLO-UHFFFAOYSA-N;113.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225585;MM225585;C=C(F)C(O)C(C)(O)CC;QYTOAQTZFDHJTF-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225586;MM225586;C=C(F)C(O)C(C)(O)CO;CGNXQPGKOCOQFR-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225587;MM225587;C=C(C)C(F)C(C)(O)CF;IBFWQBWTETWAEV-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225588;MM225588;CC(=O)C(F)C(C)(O)CO;RJUZUMCHHFOKFM-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225589;MM225589;CCC(C)(O)C(F)C(N)=O;APXDUDWBPBBDIX-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225590;MM225590;C=C(F)C(F)C(C)(O)CO;SRJUEQSCFDLQNL-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225591;MM225591;C=C(C)C(C)C(C)(F)CN;WUFCALOJOIPMRM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225592;MM225592;CCC(C)(F)C(C)C(C)=O;YDHDVOSZMAJNDM-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225593;MM225593;CC(C(=N)N)C(C)(F)CF;OBZMJJVPQWNAPA-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225594;MM225594;CCC(C)(F)C(C)C(N)=O;HVRKREBCJAHROV-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225595;MM225595;CC(C(N)=O)C(C)(F)CF;AUXCKGKSRQVJSC-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225596;MM225596;CCC(C)(F)C(C)C(=O)O;AJZDKXAASLFMQV-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225597;MM225597;C=C(F)C(C)C(C)(F)CN;CWBCXSBAEFZEBX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225598;MM225598;C=C(C)C(N)C(C)(F)CC;GDRNRDKTIFUXOK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225599;MM225599;C=C(C)C(N)C(C)(F)CF;HWDAVXHWNACOHT-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225600;MM225600;C=C(F)C(O)C(C)(F)CO;USUPOOQUHUHJBD-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225601;MM225601;CCC(C)(F)C(F)C(=O)O;SLWHNXROKCESGE-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225602;MM225602;CCC(F)(F)C(C)C(=O)O;CAMMXZRYBWAJAN-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225603;MM225603;CCC1OCC2(CO)NC12;SZGOFBOHXFEPGH-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225604;MM225604;C=CC1OCC2(CO)NC12;WSGYKOANANWFLX-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225605;MM225605;CCC(F)(F)C(O)C(C)=O;YJPFMLFEYZCURJ-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225606;MM225606;Cc1n[nH]c(O)nc1=O;XZWMZFQOHTWGQE-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225607;MM225607;C=C(C)C(C)C(C)(C)NC;ZCCWLRQQFZPROG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225608;MM225608;CNC(C)(C)C(C)C(C)=O;KQWNDJLYIZHMGQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225609;MM225609;C=C(F)C(C)C(C)(C)NC;BJMPUKSGHXLWEJ-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225610;MM225610;CNC(C)(C)C(O)C(=N)N;BSCJTDUTOXWHLK-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225611;MM225611;CNC(C)(C)C(O)C(N)=O;ODOCVQPSTQDOHF-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225612;MM225612;C=C(F)C(O)C(C)(C)NC;LXHAQQBUPATTOP-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225613;MM225613;CNC(C)(C)C(F)C(C)=O;VCQATJHAPYDVQF-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225614;MM225614;C=C(C)C(C)C(C)(C)OC;QFESBPGDWCUYKR-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225615;MM225615;COC(C)(C)C(N)C(=N)N;LIZOGVGPOAQUNJ-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225616;MM225616;COC(C)(C)C(O)C(=N)N;PEZLSZPBKCCYER-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225617;MM225617;COC(C)(C)C(O)C(N)=O;DHKFFCPDWRYSHR-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225618;MM225618;C=C(F)C(O)C(C)(C)OC;RUBBGEZHGQNPHX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225619;MM225619;CC(=O)N(C)C(C)(C)CF;GDSRBMRUDRMYHZ-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225620;MM225620;CCC(C)(C)N(C)C(=N)N;AOSZIHXAKUTHHT-UHFFFAOYSA-N;143.23;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225621;MM225621;N#CC1OCC2(CO)NC12;WBBJEXCVSRFPEJ-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225622;MM225622;CN(C(N)=O)C(C)(C)CN;JQDZJLHEBDAPKI-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225623;MM225623;CN(C(N)=O)C(C)(C)CF;QIPTYSYQROYJNV-UHFFFAOYSA-N;148.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225624;MM225624;CCC(C)(C)N(N)C(C)=O;OLQPRGVLQNAYAT-UHFFFAOYSA-N;144.22;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225625;MM225625;CC(C)(CF)N(N)C(=N)N;REIZNXLZBXNARL-UHFFFAOYSA-N;148.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225626;MM225626;CC(C)(CF)N(O)C(=N)N;ITNIRQSMRRVJMK-UHFFFAOYSA-N;149.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225627;MM225627;CCC(C)(C)N(O)C(N)=O;DPXWUFQSESERIY-UHFFFAOYSA-N;146.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225628;MM225628;C=C(C)C(C)C(C)(C)C=O;PNYGCINSJVHXHB-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225629;MM225629;C=C(C)C(C)C(C)(C)C#N;NSJZTEMHBMVZJG-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225630;MM225630;C=CC(C)(C)C(C)C(C)=O;BNVIKAHIWGIGDR-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225631;MM225631;CC(=O)C(C)C(C)(C)C#N;MKQHYABTPLDWRM-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225632;MM225632;CC(C(=N)N)C(C)(C)C=O;MKFXJHFAUOPHAW-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225633;MM225633;C#CC1OCC2(CO)NC12;XDIGHIBHGBIIHR-UHFFFAOYSA-N;139.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225634;MM225634;CC(=O)C(O)C(C)(C)C=O;MKXYPVMXGHOCKF-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225635;MM225635;CC(C)(C#N)C(O)C(=N)N;VZFGQPMAIZUEOY-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225636;MM225636;CC(C)(C=O)C(O)C(N)=O;GXUGRBOMOCQLQV-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225637;MM225637;CC(C)(C#N)C(O)C(N)=O;VRLRXJWDQBQWKT-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225638;MM225638;C=C(F)C(O)C(C)(C)C=O;CNEUXFNQYLVDMA-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225639;MM225639;C=C(F)C(O)C(C)(C)C#N;NXOVPOWQSGKPKV-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225640;MM225640;C=C(C)C(F)C(C)(C)C=O;LNVRBMWYIPIFFT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225641;MM225641;CC(=O)C(F)C(C)(C)C=O;ZGMPGQPXKCZZTE-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225642;MM225642;C=CC(C)(N)C(C)C(=N)N;KEAGVMUOXBORJZ-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225643;MM225643;C=CC(C)(N)C(C)C(=C)F;OJZFICLADMKCLJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225644;MM225644;C=CC(C)(N)C(N)C(=C)F;APVAHCSQEGYDLF-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225645;MM225645;C=CC(C)(N)C(O)C(=N)N;QXWNFEJQZZIGKG-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225646;MM225646;C=CC(C)(N)C(F)C(=C)C;HIFKORQVBOPBSA-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225647;MM225647;C=C(C)C(C)C(C)(O)C#N;OIWHQCFLBDYMQD-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225648;MM225648;C=CC(C)(O)C(C)C(C)=O;JWKKZVVDBRWXJD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225649;MM225649;C=CC(C)(O)C(C)C(N)=O;YZQNTPPXPBDHIS-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225650;MM225650;C=C(C)C(O)CCC(=O)O;BTRCBCIZYUWZON-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225651;MM225651;Oc1coc(F)c1F;GUFWTBCFXUTMSC-UHFFFAOYSA-N;120.05;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225652;MM225652;CC=CC(O)CCC(=O)O;UFGHWQMNHJYPMW-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225653;MM225653;CC(=O)C(O)C(C)(O)C=O;ZFPKEBYORKZJID-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225654;MM225654;C=CC(C)(O)C(O)C(=N)N;KACZZGQLBVMJNB-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225655;MM225655;CC(O)(C#N)C(O)C(=N)N;PEBDSHSWCBPRHU-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225656;MM225656;C=CC(C)(O)C(O)C(N)=O;FPHCLOJUBZNZOW-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225657;MM225657;N#CCC(=NO)C(=O)CF;CSIVFUNBQUSBSR-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225658;MM225658;CC=NN=CC(C#N)=NO;ZITPURZISOIWKP-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225659;MM225659;CC#CC(C)C(C#N)=NO;XAZVYOIGUONHKU-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225660;MM225660;C=C(F)C(O)C(C)(O)C=O;SZJZODRJLASEOL-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225661;MM225661;C=CC(C)(F)C(C)C(C)=O;OVIXKQMWGLQBAZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225662;MM225662;C=CC(C)(F)C(C)C(N)=O;YSIDIRRWEOGLNY-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225663;MM225663;C=CC(C)(F)C(N)C(=C)C;WJKDPUZFZSQYQY-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225664;MM225664;CC(=O)C(O)C(C)(F)C=O;HJZUUNYXBMTKBI-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225665;MM225665;CC(F)(C#N)C(O)C(N)=O;RKYTVSVZACKRRZ-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225666;MM225666;C=C(F)C(O)C(C)(F)C#N;JLFJIBCSVDWOJF-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225667;MM225667;CC(=O)C(C)C(F)(F)C=O;AJSSRHBWANREHI-UHFFFAOYSA-N;150.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225668;MM225668;C=CC(F)(F)C(O)C(N)=O;WHGDSXWHPBQUTH-UHFFFAOYSA-N;151.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225669;MM225669;C=C(F)C(O)C(F)(F)C=O;BJRGFYYXGOOMNA-UHFFFAOYSA-N;154.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225670;MM225670;C=C(F)C(O)C(F)(F)C#N;WJQVMUISLMQHBB-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225671;MM225671;C=CC(C)(C)N(C)C(C)=O;KLNLPAYWXAFAAB-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225672;MM225672;C=NN1CC(O)C1;OQWPKQBVCWNDNO-UHFFFAOYSA-N;100.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225673;MM225673;C=CC(C)(C)N(N)C(C)=O;GRSUOALWFLBULU-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225674;MM225674;CC(C)(C=O)N(O)C(=N)N;UFNGZLQCENELBI-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225675;MM225675;CC(C)(C=O)N(O)C(N)=O;DZPNLRCWLBVGNH-UHFFFAOYSA-N;146.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225676;MM225676;C#CC(C)(C)C(C)C(=C)C;KLWCSBXVCPGZAM-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225677;MM225677;C#CC(C)(C)C(C)C(C)=O;HEOBYJKCMYZKSS-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225678;MM225678;C#CC(C)(C)C(C)C(=N)N;ZNFMHFHLQFWZKR-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225679;MM225679;C#CC(C)(C)C(N)C(=C)C;PUVCAHHAJMTQAB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225680;MM225680;C#CC(C)(N)C(C)C(=N)N;QWIRCTZTZDEGCO-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225681;MM225681;C#CC(C)(N)C(C)C(N)=O;LYXAPFRWBXYPPD-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225682;MM225682;C#CC(C)(N)C(N)C(=C)C;PZIYFSIRVOAHOQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225683;MM225683;C#CC(C)(N)C(N)C(=N)N;XCLJSVVQWHFKJJ-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225684;MM225684;C#CC(C)(N)C(O)C(=N)N;IJOCBKVZROOCIN-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225685;MM225685;C#CC(C)(O)C(C)C(=C)C;NOFSEUOFAQRFPP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225686;MM225686;C#CC(C)(O)C(N)C(=N)N;GGOADTUDQPDTNF-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225687;MM225687;C#CC(C)(O)C(O)C(=N)N;CXKPZDSRIJNWFY-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225688;MM225688;C#CC#Cc1ncc(O)o1;MNSPOOXSZTVXPY-UHFFFAOYSA-N;133.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225689;MM225689;C#CC(C)(O)C(O)C(=C)F;HHLMAENOJOVYOH-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225690;MM225690;C#CC(C)(O)C(F)C(=C)F;ZSECQVOCPSGRID-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225691;MM225691;C#CC(C)(F)C(C)C(=C)C;OGZSYCIHLLWDTE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225692;MM225692;C#CC(C)(F)C(C)C(C)=O;IEMAKUPOLZIUEX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225693;MM225693;C#CC(C)(F)C(N)C(=N)N;PNNFTDIRKOXFJE-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225694;MM225694;C#CC(C)(F)C(O)C(=N)N;ZKBVSVRGCPBYFH-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225695;MM225695;C#CC(C)(F)C(O)C(N)=O;JMWSRKQCHWQZIP-UHFFFAOYSA-N;145.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225696;MM225696;C#CC(C)(F)C(F)C(N)=O;GMSPDONMASREJH-UHFFFAOYSA-N;147.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225697;MM225697;C#CC(C)(C)N(C)C(C)=N;XCIYMMWEXUATDG-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225698;MM225698;C#CC(C)(C)N(C)C(=N)N;BTVDKTTWPPCLIJ-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225699;MM225699;C#CC(C)(C)N(C)C(N)=O;FZKLIEUNUDZRBX-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225700;MM225700;C#CC(C)(C)N(N)C(C)=O;ITMVWZXWWIRKOT-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225701;MM225701;COc1cn[nH]c1;NCFMDIJKEYGCRD-UHFFFAOYSA-N;98.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225702;MM225702;C=C(C(C)N)C(C)(C)CN;RQOBZWZSHUYMCS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225703;MM225703;C=C(C(C)N)C(C)(C)CO;RLDDKCZPUFLMBM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225704;MM225704;CC=NN1CC(O)C1;XWAHNOWFEJDETR-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225705;MM225705;CC(C)C(=O)C(C)(C)CF;NNIQQKPJNPTCCW-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225706;MM225706;CC(F)C(=O)C(C)(C)CO;ZBNAQCVXDWBZPX-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225707;MM225707;CC(F)C(=O)C(C)(C)CF;OUNHYVQJZVUXPS-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225708;MM225708;C=C(C(C)C)C(C)(N)CN;VGAVEAGJCZXNKN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225709;MM225709;C=C(C(C)N)C(C)(N)CO;FCWZWYGQIMKJFR-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225710;MM225710;C=C(C(C)N)C(C)(N)CF;DFZDPJHDQRTQSQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225711;MM225711;C=C(C(C)O)C(C)(N)CF;BFHKLLPPEHBRBS-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225712;MM225712;C=C(C(C)F)C(C)(N)CF;CCYKOJRWUTYUFG-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225713;MM225713;CC(C=NN)(CO)CO;HZAHWVZQBLKWEV-UHFFFAOYSA-N;132.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225714;MM225714;C=C(C(C)O)C(C)(O)CO;AVHFEHDJDKCFRT-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225715;MM225715;CCC(C)(O)C(=O)C(C)C;PLGAUYJZBVQSLG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225716;MM225716;CC(O)C(=O)C(C)(O)CO;NHQHYIOCPOWOCM-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225717;MM225717;C=C(C(C)C)C(C)(F)CN;KNNDGASIULLQNQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225718;MM225718;C=C(C(C)N)C(C)(F)CC;KPFUXNOSVBTJME-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225719;MM225719;C=C(C(C)N)C(C)(F)CO;ZQVKDBUKRRHPJU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225720;MM225720;CCC(C)(F)C(=O)C(C)C;NZYPNHAOIYCQSU-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225721;MM225721;CCC(C)(F)C(=O)C(C)O;FKCYNNSVBDXQNE-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225722;MM225722;CC(C)C(=O)C(F)(F)CF;VMXLAZMSSOPPJR-UHFFFAOYSA-N;154.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225723;MM225723;C=C(C(C)C)C(C)(C)NC;JVOICDNYZOMHFM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225724;MM225724;CNC(C)(C)C(=O)C(C)C;VGDDWSXUXJLSHB-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225725;MM225725;CCC(C)(C)C(=N)N(C)N;ZGWHPVZVPZWRBO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225726;MM225726;CN(O)C(=N)C(C)(C)CO;OUWOBMUVXVSPLR-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225727;MM225727;CCC(C)(C)C(=O)N(C)N;QOTWEOACTIBXSG-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225728;MM225728;CCC(C)(C)C(=O)N(C)O;MWSHUUXCCYEUKV-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225729;MM225729;CN(C)C(=N)C(C)(N)CF;PYHCMNQVEZYXOL-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225730;MM225730;CCC(C)(N)C(=N)N(C)O;OKIMUYCHUYOFNU-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225731;MM225731;CN(N)C(=N)C(C)(O)CF;FGZVGBGUADROIK-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225732;MM225732;CCC(C)(O)C(=O)N(C)C;IBEVSXUNVYSMCP-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225733;MM225733;CN(C)C(=O)C(C)(O)CO;XBOXMDUNPDHQFV-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225734;MM225734;CN(C)C(=O)C(C)(O)CF;MJSXVUOULGXMFU-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225735;MM225735;COC(=N)NOC(N)=O;NNNMSJUEFOEGSK-UHFFFAOYSA-N;133.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225736;MM225736;CCC(C)(F)C(=O)N(C)N;RNTUATPQMPCWEB-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225737;MM225737;CCC(F)(F)C(=N)N(C)N;SXNJFAMLQXRYNU-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225738;MM225738;CNC(C)(C)C(=N)N(C)N;FERIOAOAWMRZTR-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225739;MM225739;CNC(C)(C)C(=N)N(C)O;OLZRIPRVLOGYRO-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225740;MM225740;C=CC(C)(C)C(=C)C(C)C;JCOAJYJIRSYLLP-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225741;MM225741;C=C(C(C)C)C(C)(C)C=O;SJAJMISSHNEKQL-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225742;MM225742;C=C(C(C)O)C(C)(C)C#N;JZTHEVJLTJTKOI-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225743;MM225743;CC(O)C(=O)C(C)(C)C=O;RBVIGSJOSYDLCW-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225744;MM225744;C=CC(C)(C)C(=O)C(C)F;KHFSXPYVIGNFNK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225745;MM225745;C=CC(C)(N)C(=C)C(C)C;KPPCVPLKJPIXQF-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225746;MM225746;C=C(C(C)C)C(C)(O)C#N;IWYCUKCZJUJIKV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225747;MM225747;C=CC(C)(O)C(=C)C(C)N;WSDJDHDGIRJSOG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225748;MM225748;C=C(C(C)O)C(C)(O)C#N;HIDRXGSUHCJXGY-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225749;MM225749;C=CC(C)(O)C(=O)C(C)C;NHQUOGGRIUVFGR-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225750;MM225750;C=CC(C)(O)C(=O)C(C)O;NLMNNCPRLDCEQL-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225751;MM225751;C=CC(C)(F)C(=O)C(C)C;SOOCRVQXJGOOSH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225752;MM225752;CC(F)(C#N)C(=O)C(F)F;CBHFEBMYMHNQCA-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225753;MM225753;O=CC(F)(F)C(=O)C(F)F;ITEWEWWSNOOBNP-UHFFFAOYSA-N;158.05;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225754;MM225754;C=CC(C)(C)C(=O)N(C)N;VVOOHRBLXPJTKE-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225755;MM225755;C=CC(C)(C)C(=O)N(C)O;YRYXLNMFOXOVNA-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225756;MM225756;C=CC(C)(N)C(=N)N(C)C;QUVWGRSAXLZQQP-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225757;MM225757;C=CC(C)(O)C(=N)N(C)N;PDNKKZRTKJKACB-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225758;MM225758;CC(O)CON=CNO;JMJYGETYDBPXLT-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225759;MM225759;C=CC(C)(O)C(=O)N(C)C;DHRPAQFGOMKWBN-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225760;MM225760;CN(C)C(=O)C(C)(O)C=O;YGHLMVPWWUVHBH-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225761;MM225761;CN(C)C(=O)C(F)(F)C#N;YCMPSPPQSJTAQV-UHFFFAOYSA-N;148.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225762;MM225762;C#CC(C)(C)C(=C)C(C)C;FEMVLDHQRWXHPP-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225763;MM225763;C#CC(C)(C)C(=C)C(C)N;NUHCKKONXCPUOF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225764;MM225764;C#CC(C)(C)C(=O)C(C)C;RXKGKOPBKGDKPV-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225765;MM225765;C#CC(C)(O)C(=C)C(C)C;WXNZTKQMFMKEGL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225766;MM225766;C#CC(C)(O)C(=C)C(C)O;JIMZMLSNHIRMQT-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225767;MM225767;C#CC(C)(O)C(=O)C(C)O;CTXITVIBNXHDIB-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225768;MM225768;C#CC(C)(F)C(=O)C(C)C;COGFORKARCKEHA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225769;MM225769;C#CC(C)(C)C(=N)N(C)C;ASXOAMLNSHQKNN-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225770;MM225770;C#CC(C)(C)C(=O)N(C)N;VHFDITTZQAEGMY-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225771;MM225771;C#CC(C)(F)C(=O)N(C)C;DNBFHHZOHKJCKM-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225772;MM225772;C=C(C)C(=C)C(C)(C)CC;ZMCMQPITZUWQEL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225773;MM225773;C=C(C)C(=C)C(C)(C)CN;KKEPSOKBZZFEFI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225774;MM225774;C#CCc1cc(C)n[nH]1;ZZMVZCKIRIMENW-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225775;MM225775;C=C(C(C)=O)C(C)(C)CO;ZMHDSQWPYPBZLM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225776;MM225776;C=C(C(C)=O)C(C)(C)CF;BAHLWGAGKHVNRL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225777;MM225777;C=C(C(=N)N)C(C)(C)CN;GXGSTMYVMOLQDD-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225778;MM225778;C=C(C)C(=O)C(C)(C)CC;MKJYNUZMXDPZRE-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225779;MM225779;C=C(C)C(=O)C(C)(C)CF;SXCKNITZVCMLIR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225780;MM225780;C=C(C)C(=C)C(C)(N)CC;BXKPQPMWBGSHRB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225781;MM225781;C=C(C)C(=C)C(C)(N)CN;RRUYCMJELNELLI-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225782;MM225782;C=NOCC1(CO)CN1;KBBQWDRACIYOHQ-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225783;MM225783;C=C(C(=N)N)C(C)(O)CF;MQIYYWRDDPWLJO-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225784;MM225784;Cc1nn(C=O)cc1O;BBFYTHRJIKEJQZ-UHFFFAOYSA-N;126.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225785;MM225785;C=C(F)C(=C)C(C)(O)CN;QPBKOEFUQBPEJU-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225786;MM225786;C=C(C)C(=O)C(C)(O)CC;RDUMPWOANIIVAZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225787;MM225787;CC(=O)C(=O)C(C)(O)CO;ZKGKUOCCITZEOM-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225788;MM225788;OCC1CC(NO)=NN1;NNMRFVOMTANMBU-UHFFFAOYSA-N;131.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225789;MM225789;NN=C1COC(CO)C1;UNNBVKNVYQEMLQ-UHFFFAOYSA-N;130.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225790;MM225790;CCC(C)(O)C(=O)C(N)=O;OFBIFHSSFVAVFK-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225791;MM225791;CC(O)(CO)C(=O)C(N)=O;MVWJUAYHNACKCH-UHFFFAOYSA-N;147.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225792;MM225792;Cn1nnc(=O)[nH]c1=NO;YVMZGDHIYVLKQK-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225793;MM225793;C=C(C(C)=O)C(C)(F)CC;DGBPMPDMYDBPBU-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225794;MM225794;C=C(C(=N)N)C(C)(F)CF;RJOSYCOGPUGGLB-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225795;MM225795;NN=C1CCC(CO)O1;CZGMSABBCPDSDC-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225796;MM225796;CCC(C)(F)C(=O)C(C)=O;KTYORLBUHNSHES-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225797;MM225797;CC(=O)C(=O)C(C)(F)CO;SBMMBIVWMAUPAX-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225798;MM225798;CCC(C)(F)C(=O)C(N)=O;IQQNSULFOCOGDG-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225799;MM225799;C=C(C)C(=O)C(F)(F)CO;SBJOTIJNAMYYOX-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225800;MM225800;C=C(C)C(=C)C(C)(C)NC;LFHMMRNYWJVWTH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225801;MM225801;C=C(C(C)=O)C(C)(C)NC;DIBZOECBMBVKBO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225802;MM225802;C=C(C)C(=O)C(C)(C)NC;RBYSVPSKCUHLDL-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225803;MM225803;C=C(C)C(=C)C(C)(C)OC;IAWGFFZUECDTCZ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225804;MM225804;C=C(C(=N)N)C(C)(C)OC;SGPCQGJDSPXEEF-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225805;MM225805;C=Cc1cnc(NC)o1;JZPCHBRSFNDAAX-UHFFFAOYSA-N;124.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225806;MM225806;C=CC(C)(C)C(=C)C(=C)C;JHPXKZIXHCVSRJ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225807;MM225807;C=C(C)C(=C)C(C)(C)C#N;XPPGJHIDTOCXIH-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225808;MM225808;C=C(C(C)=O)C(C)(C)C=O;WZCOPOSWRGFWGX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225809;MM225809;C=C(C(C)=O)C(C)(C)C#N;GEZGIYMEDYYCIV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225810;MM225810;C=C(C(=N)N)C(C)(C)C#N;FZWNTUGHLFOROJ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225811;MM225811;C=Nn1cnc(NC)n1;OVIXLFRJKPGHIB-UHFFFAOYSA-N;125.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225812;MM225812;C=C(C)C(=O)C(C)(C)C=O;CXURNMCKKLYEPF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225813;MM225813;C=C(C)C(=O)C(C)(C)C#N;YWSTXVHBDBFPEP-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225814;MM225814;C=CC(C)(C)C(=O)C(C)=O;HCJGHAJCMKPXCV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225815;MM225815;C=CC(C)(N)C(=C)C(N)=O;KTZFZCNSQUJTBT-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225816;MM225816;C=C(C)C(=C)C(C)(O)C#N;SCDLOEHXKAFWKE-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225817;MM225817;C=C(C(=N)N)C(C)(O)C=O;LWXGIJYIQKBBLX-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225818;MM225818;CC(N(N)C=O)C(C)(C)O;IDCBGMHBZQGWSP-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225819;MM225819;CCn1ncc(O)c1F;URFHQUHPPTUNEB-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225820;MM225820;C=C(F)C(=O)C(C)(O)C#N;GQMKRUKVNCZRPC-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225821;MM225821;C=CC(C)(F)C(=C)C(C)=O;DTRRRWKENMUXFY-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225822;MM225822;C=C(C(N)=O)C(C)(F)C#N;SXJWRFSQUAGFBC-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225823;MM225823;C=CC(C)(F)C(=O)C(=C)C;HWHKHRNWLAROSD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225824;MM225824;CC(=O)C(=O)C(C)(F)C#N;ZCPBMUBFBZZQQO-UHFFFAOYSA-N;143.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225825;MM225825;CC(=O)C(=O)C(F)(F)C=O;SERJTHYYDIODDB-UHFFFAOYSA-N;150.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225826;MM225826;N#CC(F)(F)C(=O)C(=O)O;OADXNAAONXCDKE-UHFFFAOYSA-N;149.05;-0.2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225827;MM225827;C#CC(C)(C)C(=C)C(=C)C;GKTXXTZMGOGVLC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225828;MM225828;C#CC(C)(C)C(=C)C(=N)N;RGKKGMIHTZIANH-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225829;MM225829;C#CC(N)(C(=C)F)C(N)=O;AUSAXKGHWNXFPM-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225830;MM225830;C#CC(C)(C)C(=O)C(=C)C;ZASMTVMPXWGXCD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225831;MM225831;C#CC(C)(N)C(=C)C(=C)C;WDHTZKUJQPMUOL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225832;MM225832;C#CC(C)(O)C(=C)C(=C)C;XCWSYSYNROBUKZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225833;MM225833;C#CC(C)(O)C(=O)C(=C)F;OSSMBQXCZDNPGB-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225834;MM225834;CC(C)=C(C)C(C)(C)CN;NNSJDVKYRSWSIT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225835;MM225835;CC(F)=C(C)C(C)(C)CN;YBKZHOJAZRQCEB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225836;MM225836;CC(C)=C(F)C(C)(C)CN;SRJHRGHFBJULSX-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225837;MM225837;CC(C)=C(F)C(C)(C)CF;QICLVPFLMSBBHQ-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225838;MM225838;CCC(C)(N)C(C)=C(C)C;YMKRNLDOROHTKS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225839;MM225839;CC(C)=C(C)C(C)(N)CF;ANXHKFYKQCFVCQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225840;MM225840;CCC(C)(N)C(C)=C(C)F;ZKHSMZMTCQSOIT-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225841;MM225841;CC(F)=C(C)C(C)(N)CF;VMFDGFAKBMXJRG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225842;MM225842;CCC(C)(N)C(F)=C(C)C;XLCHNIQZURGENO-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225843;MM225843;CC(F)=C(F)C(C)(N)CN;SSOBKVAIKVLBRW-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225844;MM225844;CC(CO)OC(=O)C(=N)N;JFYXNFJTGULLCM-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225845;MM225845;CC(C)=C(C)C(C)(O)CF;ZVSKJYCMWHZCBS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225846;MM225846;CC(F)=C(C)C(C)(O)CF;QCTATPPQTZRBQJ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225847;MM225847;CCC(C)(O)C(F)=C(C)C;TWLXAPDVGXEHDV-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225848;MM225848;CC(C)=C(F)C(C)(O)CO;PIWAIRZSGGFCBR-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225849;MM225849;CC(F)=C(F)C(C)(O)CO;SNYMLKAFRFCALE-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225850;MM225850;CC(O)(CO)C(F)=C(F)F;YJJVDOOWNMVLAN-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225851;MM225851;CC(C)=C(C)C(C)(F)CN;NTRIXYWJJDFNAB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225852;MM225852;CC(F)=C(C)C(C)(F)CO;ONTGXGIVDGWXQB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225853;MM225853;CCC(C)(F)C(F)=C(C)C;ARBRAGZIXHSVNN-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225854;MM225854;CC(C)=C(F)C(C)(F)CN;RSTNNJRTRNZFIS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225855;MM225855;CC(C)=C(F)C(C)(F)CO;RUGVSBOYWFQGDC-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225856;MM225856;CC(C)=C(C)C(F)(F)CF;WAGOBWVBADBIAH-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225857;MM225857;CNC(C)(C)C(C)=C(C)C;WUAXXNWNNAWFKD-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225858;MM225858;CNC(C)(C)C(C)=C(F)F;XCDBQBOSYRJBHF-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225859;MM225859;C=CC(C)(C)C(C)=C(C)C;ZTSNZWVWCLLAJM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225860;MM225860;CC(C)=C(C)C(C)(C)C#N;QDQDMPRQMPYCFP-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225861;MM225861;CC(C)=C(F)C(C)(C)C=O;XEFVFUGSWKTBOF-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225862;MM225862;C=CC(C)(N)C(C)=C(C)C;FAIMNQXMTYWQCS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225863;MM225863;C=CC(C)(N)C(C)=C(C)F;MWCMBTLZTXMWKL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225864;MM225864;N#CC=C(N)COC(N)=O;DTRLVSJZHKHSCN-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225865;MM225865;CC(F)=C(C)C(C)(O)C=O;CCLKTZQTNBVCML-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225866;MM225866;CC(C)=C(F)C(C)(O)C#N;POBRPQWUVGXFEU-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225867;MM225867;CC(O)(C#N)C(F)=C(F)F;OEVBPSNRFOJCQS-UHFFFAOYSA-N;151.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225868;MM225868;CC(C)=C(C)C(C)(F)C=O;UUWCXDDUMQVIHF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225869;MM225869;CC(C)=C(C)C(C)(F)C#N;FRTGPSXNFPPXKR-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225870;MM225870;CC(F)=C(C)C(C)(F)C=O;NHWWCRXZCKYGDP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225871;MM225871;CC(C)=C(F)C(C)(F)C=O;KSNHFTKIWOAVFH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225872;MM225872;C#CC(C)(C)C(C)=C(C)C;MWYSRUSXNRRBJP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225873;MM225873;C#CC(C)(C)C(F)=C(C)C;MQMAUXRWYMCOHW-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225874;MM225874;C#CC(C)(N)C(C)=C(C)C;XGLBVQOJUGVWGX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225875;MM225875;C#CC(C)(N)C(C)=C(C)F;GGSGICGEDBNXKQ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225876;MM225876;C#CC(C)(O)C(C)=C(C)C;AOLHIFYRQQPVDK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225877;MM225877;C#CC(C)(O)C(C)=C(C)F;QOSZHSCLVODVSN-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225878;MM225878;C#CC(C)(O)C(F)=C(C)C;JUVDJSCKFDVDHT-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225879;MM225879;C#CC(C)(F)C(F)=C(C)C;FMKJFYMAEPLRIT-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225880;MM225880;CCC(C)CC(C)(C)CC;VRVRZZWPKABUOE-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225881;MM225881;CCC(C)(C)CC(C)CN;NRMARTLMAXEGIT-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225882;MM225882;C=NNC(=N)OC(C)CO;QSGPAFDZHVVGNY-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225883;MM225883;CCC(C)(C)CC(C)CF;FDQLMKZORSUTCO-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225884;MM225884;CCC(C)CC(C)(C)CN;NWESVCXQBMMVNM-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225885;MM225885;CC(CN)CC(C)(C)CN;JOIXCFJTAPNMMK-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225886;MM225886;CC(CF)CC(C)(C)CN;KHQFDUPYDNTNNK-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225887;MM225887;CNC(=O)CN=C(N)C#N;UDOOTYYACGXORA-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225888;MM225888;COC(CO)CC(C)=NN;KJMIAVGEURYURO-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225889;MM225889;CCC(C)CC(C)(C)CF;BFUUCHDFHMXNLD-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225890;MM225890;CC(CN)CC(C)(C)CF;BGYAZPFHBFENEB-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225891;MM225891;CC(CF)CC(C)(C)CF;AUIIKBYFEZXLDB-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225892;MM225892;CCC(N)CC(C)(C)CC;COFJFPQNFAMLTC-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225893;MM225893;CCC(C)(C)CC(N)CN;LBMPQTZFQIOLQZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225894;MM225894;CCC(C)(C)CC(N)CO;DVUFQBVPPDJISE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225895;MM225895;CCC(C)(C)CC(N)CF;RHGIECNXBHZXDD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225896;MM225896;CCC(N)CC(C)(C)CN;SXTZSTPJIAKIIB-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225897;MM225897;CC(C)(CN)CC(N)CO;BDXSEIQTDUSQCM-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225898;MM225898;CCC(N)CC(C)(C)CO;LHDIXSKWEHNYHR-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225899;MM225899;CC(C)(CO)CC(N)CN;GTFOYEWVVWQATC-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225900;MM225900;CC(C)(CO)CC(N)CO;NYHMSHRKSSDWCI-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225901;MM225901;CCC(N)CC(C)(C)CF;ZAJQGBGLEZVBJZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225902;MM225902;CC(C)(CF)CC(N)CF;CBYBDUZUXOEFFA-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225903;MM225903;CC(CO)OC(=NN)NN;CTSOCNRYVYUHFB-UHFFFAOYSA-N;148.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225904;MM225904;CCC(C)(C)CC(O)CN;ITDSAHPGYYLDFS-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225905;MM225905;CCC(C)(C)CC(O)CO;HQPVHECSGCNPOE-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225906;MM225906;CCC(C)(C)CC(O)CF;CQKQRHTVUXOEKR-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225907;MM225907;CCC(O)CC(C)(C)CN;ZXQCDNLNBJHNSQ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225908;MM225908;CC(C)(CN)CC(O)CF;FWJJEJVGTQRHKP-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225909;MM225909;CC(C)(CO)CC(O)CN;BOLIYKIZAUFPAT-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225910;MM225910;CC(C)(CO)CC(O)CO;QECZACWXIWMQOR-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225911;MM225911;CCC(O)CC(C)(C)CF;HGHQVHYZXOYKKX-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225912;MM225912;CC(C)(CF)CC(O)CO;XJRJKFJGFHATTI-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225913;MM225913;CCC(F)CC(C)(C)CC;NTTSGHKOAMYLMC-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225914;MM225914;CCC(C)(C)CC(F)CN;AYOSUPSCRICNMN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225915;MM225915;CCC(C)(C)CC(F)CO;SXVHBLBWALVJOJ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225916;MM225916;CC(C)(CN)CC(F)CF;UCEKOYFQMCCKGQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225917;MM225917;CCC(F)CC(C)(C)CO;NCOIBGMRBAPWAY-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225918;MM225918;CC(C)(CO)CC(F)CO;KHBRDVJNKVSUJP-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225919;MM225919;CC(C)(CO)CC(F)CF;NMFZIHSPPODAJV-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225920;MM225920;CCC(F)CC(C)(C)CF;UEAFVEKIHAUORA-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225921;MM225921;CC(C)(CF)CC(F)CN;CKZISDYWBBCFKD-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225922;MM225922;CCC(C)CC(C)(N)CC;FJXGUWTWCAUKTO-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225923;MM225923;CCC(C)(N)CC(C)CN;UHWQJTDDUHBQFP-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225924;MM225924;CCC(C)(N)CC(C)CO;VKIAVUQPXVNLOP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225925;MM225925;CCC(C)(N)CC(C)CF;FFRMIMMSWICIMI-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225926;MM225926;CCC(C)CC(C)(N)CN;SKZAFPVLRKXHNV-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225927;MM225927;CCC(C)CC(C)(N)CO;MKCWUUSPNMAZJP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225928;MM225928;CC(CO)CC(C)(N)CO;YUMFKTPFRLJRTJ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225929;MM225929;CCC(C)CC(C)(N)CF;IXQBPZDBUYVGAT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225930;MM225930;CC(CN)CC(C)(N)CF;PWCBPYAQDAWWCT-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225931;MM225931;CC(CF)CC(C)(N)CF;BAGNHFAWYWXHIF-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225932;MM225932;CCC(N)CC(C)(N)CC;KSFZHJKCQJAHKL-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225933;MM225933;CCC(C)(N)CC(N)CN;YKNXTGVNYLOGRM-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225934;MM225934;CCC(C)(N)CC(N)CO;FRFUYOUAFYMAGA-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225935;MM225935;CCC(N)CC(C)(N)CN;KNVSAHWNBYMACJ-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225936;MM225936;CC(N)(CN)CC(N)CN;PFNSAMVXGGKMEC-UHFFFAOYSA-N;146.24;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225937;MM225937;CC(N)(CN)CC(N)CO;IIOHLVIXTHVIQL-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225938;MM225938;CC(N)(CN)CC(N)CF;CTUJMPAXAVGFBA-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225939;MM225939;CCC(N)CC(C)(N)CO;ALXJSMCZSJWAOX-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225940;MM225940;CC(N)(CO)CC(N)CN;BLMPGPJORANNHQ-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225941;MM225941;CC(N)(CO)CC(N)CO;HTTWSIDNHIHYKF-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225942;MM225942;CC(N)(CO)CC(N)CF;ZKPRJGGCRARCLS-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225943;MM225943;CC(N)(CF)CC(N)CN;MBIVEXYUMUHPRC-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225944;MM225944;CC(N)(CF)CC(N)CF;DOKHDCGIVIPVIL-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225945;MM225945;CCC(O)CC(C)(N)CC;PHNOPLLMCCDRBF-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225946;MM225946;CCC(C)(N)CC(O)CN;IRBZNLRMIPKTPA-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225947;MM225947;CCC(C)(N)CC(O)CO;BCSCYPUWWJRYBE-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225948;MM225948;CC(N)(CN)CC(O)CN;QCPBUTJEXCCCSE-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225949;MM225949;CC(N)(CN)CC(O)CO;MDKJMUVDVNXYLG-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225950;MM225950;CCC(O)CC(C)(N)CO;OJQSOAXMWGTPNM-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225951;MM225951;CC(N)(CO)CC(O)CN;APIRYPMFPZRDFZ-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225952;MM225952;CC(N)(CO)CC(O)CO;FJCKYTDYSCEGBA-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225953;MM225953;CC(N)(CF)CC(O)CN;BQEHQVFLXXUHAQ-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225954;MM225954;CC(N)(CF)CC(O)CO;IWTSENIUAJJJBM-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225955;MM225955;CCC(F)CC(C)(N)CC;XAZMOBJRXQSDPO-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225956;MM225956;CCC(C)(N)CC(F)CN;HXXBDHTZUPBVKP-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225957;MM225957;CCC(C)(N)CC(F)CO;TXSPETOVXHGSRH-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225958;MM225958;CCC(C)(N)CC(F)CF;UORDZNUEBFHHPP-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225959;MM225959;CC(N)(CN)CC(F)CN;OMUDCLGSTIVSDP-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225960;MM225960;CC(N)(CN)CC(F)CO;VKVMDHNHCLRRCF-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225961;MM225961;CC(N)(CN)CC(F)CF;ZGCUELOROQKXLP-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225962;MM225962;CC(N)(CO)CC(F)CN;LYZOLDOQTKXKLN-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225963;MM225963;CCC(F)CC(C)(N)CF;ZTJYEPRXLIWTAV-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225964;MM225964;COC(=NN)OC(C)CO;QPNSGMHFFZHGPJ-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225965;MM225965;CCC(C)(O)CC(C)CN;RYNIAUVGJBEKGW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225966;MM225966;CCC(C)(O)CC(C)CO;QLMODHWUCVHXOD-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225967;MM225967;CCC(C)(O)CC(C)CF;UWBRVDRMCCQLKJ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225968;MM225968;CCC(C)CC(C)(O)CN;IDNZFSMHRYYHOX-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225969;MM225969;CC(CO)CC(C)(O)CN;LQOULJAZPCBRMQ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225970;MM225970;CCC(C)CC(C)(O)CO;HYAMDSVPEBSFCS-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225971;MM225971;CC(CN)CC(C)(O)CO;WQKVEMORYTXYBQ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225972;MM225972;CC(CF)CC(C)(O)CO;OQTHLVWOUKSYMH-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225973;MM225973;CCC(C)CC(C)(O)CF;IBAVGAOGPXLNOL-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225974;MM225974;CCC(N)CC(C)(O)CC;YESDMSWAEBGANK-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225975;MM225975;CCC(C)(O)CC(N)CN;WCOAVMCHIRYLSA-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225976;MM225976;CCC(C)(O)CC(N)CO;RIXQYHOQHMCIOZ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225977;MM225977;CCC(N)CC(C)(O)CN;XOKMCYUGDFRHPY-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225978;MM225978;CC(O)(CN)CC(N)CN;UBASCKGXJVRFHK-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225979;MM225979;CC(O)(CN)CC(N)CF;XDFDXZKSGWOUAK-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225980;MM225980;CCC(N)CC(C)(O)CO;LRENBMLNQAMFDU-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225981;MM225981;CC(O)(CO)CC(N)CO;AFARKSVYAFIBAP-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225982;MM225982;CC(O)(CF)CC(N)CF;ATDZYSCFPJWFHS-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225983;MM225983;CCC(O)CC(C)(O)CC;AREOBENUACTGHH-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225984;MM225984;CCC(C)(O)CC(O)CN;YEWJFUBVJXEWBB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225985;MM225985;CCC(O)CC(C)(O)CN;NUILCIMWTONQBB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225986;MM225986;CC(O)(CN)CC(O)CN;ZQJWCIVDTSEIJO-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225987;MM225987;CC(O)(CO)CC(O)CN;ORAUNTHNLATDSX-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225988;MM225988;CC(O)(CO)CC(O)CO;OECFSRDCTXEYJO-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225989;MM225989;CC(O)(CF)CC(O)CN;WAJCGEDQMWBWLU-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225990;MM225990;CC(O)(CF)CC(O)CF;USWQEJVFAQCTQU-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225991;MM225991;CCC(F)CC(C)(O)CC;HJTSSFXUSRNUHI-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225992;MM225992;CCC(C)(O)CC(F)CO;ZUJSIBYRSDHJRR-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225993;MM225993;CCC(C)(O)CC(F)CF;OCGXRZXYOVTZGD-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225994;MM225994;CCC(F)CC(C)(O)CN;SSCJQCIDNVFEAV-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225995;MM225995;CC(O)(CO)CC(F)CO;KCDWFBCJCJHNEQ-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225996;MM225996;CCC(F)CC(C)(O)CF;AULLGCXSHGEJCP-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225997;MM225997;CCC(C)CC(C)(F)CC;DMQZZMMOURYDAD-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225998;MM225998;CCC(C)(F)CC(C)CN;NHCMZVVIWLUEMO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM225999;MM225999;CCC(C)(F)CC(C)CO;QBZKDDUEVNNLFO-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226000;MM226000;CCC(C)(F)CC(C)CF;MJIFJQMFIXULTB-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226001;MM226001;CCC(C)CC(C)(F)CN;IMRRMZRUUPXOBD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226002;MM226002;CC(CN)CC(C)(F)CN;QVEBTIOITCMACD-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226003;MM226003;CC(CF)CC(C)(F)CN;VCAMXFRLDSOCSI-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226004;MM226004;CCC(C)CC(C)(F)CO;NAYIKNLSZYZSMJ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226005;MM226005;CC(CN)CC(C)(F)CO;VPEMIULABTYQDV-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226006;MM226006;CCC(C)CC(C)(F)CF;SQWLULJCTCEGGI-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226007;MM226007;CC(CN)CC(C)(F)CF;LIDLRJWLSVMDOC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226008;MM226008;CCC(N)CC(C)(F)CC;UCASZQMIYNGURH-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226009;MM226009;CCC(C)(F)CC(N)CF;VCJLXYMXUIMARZ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226010;MM226010;CC(F)(CN)CC(N)CN;PZOYLHQXKFVPPL-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226011;MM226011;CC(F)(CN)CC(N)CO;HCCGXFYEWXMVME-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226012;MM226012;CC(F)(CO)CC(N)CN;RCMCAGCYZDIFNT-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226013;MM226013;CCC(N)CC(C)(F)CF;OYMMGHIFPBSPDS-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226014;MM226014;CCC(O)CC(C)(F)CC;ULBFKBYFOOIGEJ-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226015;MM226015;CCC(C)(F)CC(O)CF;JGJXMKMCPYOWBS-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226016;MM226016;CC(F)(CN)CC(O)CN;XFYQNWAHMUASRA-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226017;MM226017;CC(F)(CO)CC(O)CN;QGEMEYGBGZQZRR-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226018;MM226018;CC(F)(CO)CC(O)CO;COLVCYKYEVTINO-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226019;MM226019;CC(F)(CF)CC(O)CN;HVIBQZLPWPYOFX-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226020;MM226020;CCC(F)CC(C)(F)CC;SFVMYUNVTYZCLJ-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226021;MM226021;CCC(C)(F)CC(F)CO;YBZORGZQZNCCQT-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226022;MM226022;CCC(C)(F)CC(F)CF;KLFVZVBXGMQFFQ-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226023;MM226023;CC(F)(CN)CC(F)CN;DROYMAQIFCQZDB-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226024;MM226024;CC(F)(CO)CC(F)CO;NWAKIVRLTSXKMA-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226025;MM226025;CCC(F)CC(C)(F)CF;UKPDZGSLTNLNSZ-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226026;MM226026;CC(F)(CF)CC(F)CF;HHEMVLFREFSCJM-UHFFFAOYSA-N;158.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226027;MM226027;CCC(F)(F)CC(C)CN;SBOBKQGFTCZJEQ-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226028;MM226028;CCC(F)(F)CC(C)CO;CRJVHCJSDWJKLP-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226029;MM226029;CC(CN)CC(F)(F)CN;QNJIJFMEIXBEMB-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226030;MM226030;CC(CN)CC(F)(F)CF;WBOPYEHIOJPEIL-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226031;MM226031;CC(CF)CC(F)(F)CF;ZMYFORCLIORUFX-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226032;MM226032;CCC(F)(F)CC(N)CN;XWJZARCSFFOBKZ-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226033;MM226033;CCC(F)(F)CC(N)CF;NXAUKODSGHXTGY-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226034;MM226034;NCC(N)CC(F)(F)CO;WFDSKKVICFCJDE-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226035;MM226035;CCC(F)(F)CC(O)CO;HVMUYJZJIQJUIV-UHFFFAOYSA-N;154.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226036;MM226036;NCC(O)CC(F)(F)CN;DUIYOKTYJOWHDS-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226037;MM226037;OCC(O)CC(F)(F)CO;BXWULQHIAWUZIV-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226038;MM226038;OCC(O)CC(F)(F)CF;MXHZQDBZIKOCSU-UHFFFAOYSA-N;158.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226039;MM226039;CCC(F)CC(F)(F)CC;DQSAGRKJKASPGQ-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226040;MM226040;CCC(F)(F)CC(F)CN;DSXNRHZAAULLBU-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226041;MM226041;OCC(F)CC(F)(F)CO;JAKOZDAIBXNRSR-UHFFFAOYSA-N;158.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226042;MM226042;CCC(C)(C)CC(C)NC;YTAQVYKPSZIZEP-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226043;MM226043;CNC(C)CC(C)(C)CN;MLAODDTWVAYOSL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226044;MM226044;CNC(C)CC(C)(C)CF;RFEOHTBTGWJERD-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226045;MM226045;CCC(C)(N)CC(C)NC;ZEPAJVKYZCWLEF-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226046;MM226046;CCC(C)(O)CC(C)NC;QWYXBYSSTGAQKZ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226047;MM226047;CNC(C)CC(C)(O)CO;OQOSYEQORHPKTG-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226048;MM226048;CCC(C)(F)CC(C)NC;UPGPBIJMYRGZCZ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226049;MM226049;CNC(C)CC(C)(F)CF;IIGVCNBAZRHSJW-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226050;MM226050;CCC(F)(F)CC(C)NC;LZCOIFCXPABECZ-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226051;MM226051;CNC(C)CC(F)(F)CF;YHZUODKGDMHUIV-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226052;MM226052;CCC(C)(C)CC(C)OC;RAKWKPYGWCWCBD-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226053;MM226053;COC(C)CC(C)(C)CO;NFYMEYSIIGOYBR-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226054;MM226054;COC(C)CC(C)(C)CF;DXRFQZWCGOHOLC-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226055;MM226055;COC(C)CC(C)(N)CO;ZAQSBHNEJHAUIF-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226056;MM226056;CCC(C)(O)CC(C)OC;KNFQLMFZTMIJKD-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226057;MM226057;COC(C)CC(C)(O)CN;XZTXCXSQUAJOFR-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226058;MM226058;COC(C)CC(C)(O)CO;RNEOCJAFONHXEK-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226059;MM226059;CCC(C)(F)CC(C)OC;GIWINEAUEJJSOH-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226060;MM226060;COC(C)CC(C)(F)CN;FHJVJRXCFGLEAE-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226061;MM226061;COC(C)CC(C)(F)CO;RWGSHQVMFKDBCK-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226062;MM226062;CCC(F)(F)CC(C)OC;KCQTZGURQDXATD-UHFFFAOYSA-N;152.18;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226063;MM226063;CCC(C)CC(C)(C)NC;NPMOSGLXKDUBLX-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226064;MM226064;CNC(C)(C)CC(C)CN;NCFYHYXHLJYVID-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226065;MM226065;CNC(C)(C)CC(C)CO;MLWCTEPINCUINI-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226066;MM226066;CNC(C)(C)CC(C)CF;RMFQEASOBXBDGI-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226067;MM226067;CCC(N)CC(C)(C)NC;KTVFKQTXWDHUHP-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226068;MM226068;CNC(C)(C)CC(N)CN;CQVAQGBJMXIOKO-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226069;MM226069;CNC(C)(C)CC(N)CO;BVIPFPIVSASZHF-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226070;MM226070;CCC(O)CC(C)(C)NC;ZEBZBZYBWZABEU-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226071;MM226071;CNC(C)(C)CC(O)CN;YNZGJNPUYZLYDH-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226072;MM226072;CNC(C)(C)CC(O)CO;KLRFVCKKSORVQE-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226073;MM226073;CCC(F)CC(C)(C)NC;DFZCTHULIFWQLQ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226074;MM226074;CNC(C)(C)CC(F)CO;MESJIKMZOAZYQF-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226075;MM226075;CNC(C)(C)CC(F)CF;UFWDOOZMZAZLML-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226076;MM226076;CNC(C)CC(C)(C)NC;MPWWFSNPRUYAHQ-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226077;MM226077;CNC(C)(C)CC(C)OC;GJGAHDRDZLJQLO-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226078;MM226078;CCC(C)CC(C)(C)OC;ZEWUASFQJZHEBL-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226079;MM226079;COC(C)(C)CC(C)CN;BFDZWGXCNYOWJZ-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226080;MM226080;COC(C)(C)CC(C)CO;UISQJNNBWSZQTJ-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226081;MM226081;CCC(F)CC(C)(C)OC;NPIQLQOWVOQWHO-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226082;MM226082;CNC(C)CC(C)(C)OC;HRPBBQGLHACFEU-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226083;MM226083;CCC(C)NC(C)(C)CC;QKYXQWRJUACKRM-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226084;MM226084;CCC(C)(C)NC(C)CN;LSMSEHUDKDBAEZ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226085;MM226085;CCC(C)(C)NC(C)CO;RUYCNCHPYDCHOK-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226086;MM226086;CCC(C)NC(C)(C)CN;RFSFCDLSJNEYGP-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226087;MM226087;CC(CO)NC(C)(C)CN;ZXSNSDNGJFUFQP-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226088;MM226088;CC(CN)NC(C)(C)CO;ZCABHICUILHVBD-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226089;MM226089;CC(CO)NC(C)(C)CO;AJEYNNRMBWFNCL-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226090;MM226090;CCC(C)NC(C)(C)CF;OEVJWFNUESMBKW-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226091;MM226091;CC(CN)NC(C)(C)CF;TUHQLZTZPHQRBH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226092;MM226092;CCC(C)OC(C)(C)CC;SKHAHQPUUJTKBB-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226093;MM226093;CCC(C)(C)OC(C)CN;IFZGOVGBFGVIMO-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226094;MM226094;CCC(C)(C)OC(C)CO;DFBRAMHITHUSCO-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226095;MM226095;CCC(C)(C)OC(C)CF;FPQKLHGLSFGGFS-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226096;MM226096;CC(CN)OC(C)(C)CN;BOPUHIUFGKVWNX-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226097;MM226097;CCC(C)OC(C)(C)CF;QHYMCVYMDNUNAP-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226098;MM226098;CC(CN)OC(C)(C)CF;KGTYLBNHJWKWSA-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226099;MM226099;CCC(C)(C)OC(C)OC;JIGAUHSAXUXMOT-UHFFFAOYSA-N;146.23;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226100;MM226100;CCN(C)CC(C)(C)CC;SOHNTURSCKUXCA-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226101;MM226101;CCN(C)CC(C)(C)CN;LJIAOLDHWUGOCU-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226102;MM226102;CCN(C)CC(C)(C)CF;COFQNUCPKRUVGV-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226103;MM226103;CCN(C)CC(C)(N)CC;PCFPZRCTJVYXFM-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226104;MM226104;CCN(C)CC(C)(O)CC;IZSRJMFYBCYMOP-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226105;MM226105;CCN(C)CC(C)(O)CO;MKGZXVJTMDOHBI-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226106;MM226106;CCN(C)CC(C)(F)CC;ZXWNTLIIYOWXMG-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226107;MM226107;CCN(C)CC(C)(C)NC;JADORDOHXPPNJG-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226108;MM226108;CCN(C)CC(C)(C)OC;YAUSWLXVXCCNDP-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226109;MM226109;C=CC(C)CC(C)(C)CC;FNLMSNYRPSEYKS-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226110;MM226110;CCC(C)(C)CC(C)C=O;CIVWGIYPLKLJHC-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226111;MM226111;CCC(C)(C)CC(C)C#N;JJHWEENWBQNEQK-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226112;MM226112;C=CC(C)CC(C)(C)CN;KPOYGVBVLMZPLI-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226113;MM226113;C#CC(=NN)OC(C)CO;TYYHMQOXPKQKBX-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226114;MM226114;CC(C#N)CC(C)(C)CF;FILGCBPDIXTMOU-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226115;MM226115;C=CC(N)CC(C)(C)CC;JJKCFPDWDVCUPB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226116;MM226116;C=CC(N)CC(C)(C)CN;HZWAVRKHQKFAOB-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226117;MM226117;C=CC(N)CC(C)(C)CF;OKUMAYKJVZRSOE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226118;MM226118;C=CC1(CO)CC(C)=NN1;UGKXHYBSZIPJPA-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226119;MM226119;CCC(C)(C)CC(O)C=O;QPLNKQGSDKOBQC-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226120;MM226120;CCC(C)(C)CC(O)C#N;FUBDQXULGAMZDW-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226121;MM226121;C=CC(O)CC(C)(C)CO;QWDOFOLYBFPPDE-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226122;MM226122;CC(C)(CO)CC(O)C=O;RQICRJBZAZVFSJ-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226123;MM226123;CC(C)(CO)CC(O)C#N;OXOWUBHUCJCHPX-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226124;MM226124;C=CC(F)CC(C)(C)CC;COTNATSGBNMYNK-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226125;MM226125;CCC(C)(C)CC(F)C#N;DBKPDZNHWCWQQV-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226126;MM226126;C=CC(F)CC(C)(C)CN;UHYYUACFQILWTR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226127;MM226127;C=CC(F)CC(C)(C)CO;HKVGVCXACZUCTB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226128;MM226128;CC(C)(CO)CC(F)C=O;HNIOYBXNTSUAAI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226129;MM226129;CC(C)(CO)CC(F)C#N;XCAKFCFNAFXNQO-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226130;MM226130;C=CC(C)CC(C)(N)CC;SCWUJQBWKWWIIK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226131;MM226131;C=CC(C)CC(C)(N)CF;BPBIUXSIROLFNN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226132;MM226132;C=CC(N)CC(C)(N)CC;PRMXRLQLKHGJON-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226133;MM226133;C=CC(N)CC(C)(N)CN;LNNTYTIZFMTQBE-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226134;MM226134;C=CC(O)CC(C)(N)CN;OLOBZGQIOMFVPW-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226135;MM226135;C=CC(F)CC(C)(N)CC;NFXOQRPTEGCPCI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226136;MM226136;C=CC(F)CC(C)(N)CF;MBBIYFTWNGPCAG-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226137;MM226137;CNC(=O)C(=NOC)NN;GPFZDYJGBCUUFI-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226138;MM226138;CCC(C)(O)CC(C)C=O;GCYVASIZCZDKQD-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226139;MM226139;CCC(C)(O)CC(C)C#N;QRTNSQPYCYCSLI-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226140;MM226140;C=CC(C)CC(C)(O)CO;SLPKNYLBINNNGG-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226141;MM226141;CC(C=O)CC(C)(O)CO;INKCTDSEDGJICN-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226142;MM226142;C=CC(C)CC(C)(O)CF;JIOLMQYMXMKPMQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226143;MM226143;CC(C#N)CC(C)(O)CF;VCHQUGXBTBPPND-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226144;MM226144;C=CC(O)CC(C)(O)CC;NGKCVAZBJSZXBR-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226145;MM226145;C=CC(F)CC(C)(O)CC;JQMZQHFOCKSWTQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226146;MM226146;CCC(C)(O)CC(F)C#N;QDSAINLOPDVOIM-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226147;MM226147;CC(O)(CF)CC(F)C#N;YYNJITNXIQWXIV-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226148;MM226148;C=CC(C)CC(C)(F)CC;JOHIERRJODTVPB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226149;MM226149;CCC(C)(F)CC(C)C=O;VZSZPRDUBPQZSM-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226150;MM226150;CCC(C)(F)CC(C)C#N;VCBAIDFZRYHIOJ-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226151;MM226151;C=CC(C)CC(C)(F)CN;XLVHKWGCOHBNTR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226152;MM226152;C=CC(C)CC(C)(F)CO;NKEZYTUKQNULHV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226153;MM226153;CC(C#N)CC(C)(F)CO;HIFTYQUUIJTRGD-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226154;MM226154;C=CC(C)CC(C)(F)CF;ZOBCWIGDAQMVCS-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226155;MM226155;CC(C=O)CC(C)(F)CF;PWBOCFJGJXWICT-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226156;MM226156;CC(C#N)CC(C)(F)CF;XVEJJMXXQGOVHG-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226157;MM226157;C=CC(N)CC(C)(F)CC;GXCRVFQXVBCNFP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226158;MM226158;C=CC(N)CC(C)(F)CN;QKPINVWKAYXJNW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226159;MM226159;C=CC(N)CC(C)(F)CF;FSKNIEWPQSNMKC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226160;MM226160;CCC(C)(F)CC(O)C=O;DAICHOICDPHLJK-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226161;MM226161;CCC(C)(F)CC(O)C#N;IQGYQEYOOBOMKO-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226162;MM226162;C=CC(O)CC(C)(F)CF;LVEFRKKXQGHNLT-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226163;MM226163;CC(F)(CF)CC(O)C#N;ACJJJWGUTFRPTN-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226164;MM226164;C=CC(F)CC(C)(F)CC;BMIAAMZWPFNTRX-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226165;MM226165;CCC(C)(F)CC(F)C=O;DIEBRHCOQPLKLT-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226166;MM226166;CCC(C)(F)CC(F)C#N;AFTDCFPBHWGMGK-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226167;MM226167;C=CC(F)CC(C)(F)CN;UORFMKXLZUCKLW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226168;MM226168;C=CC(F)CC(C)(F)CO;LIKHMAUPLABNNG-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226169;MM226169;C=CC(C)CC(F)(F)CC;MQWLATRPBFWESF-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226170;MM226170;CCC(F)(F)CC(C)C=O;VEEVUFDFPUIZEG-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226171;MM226171;CCC(F)(F)CC(C)C#N;AYVBMECLMLHIKC-UHFFFAOYSA-N;147.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226172;MM226172;CC(C=O)CC(F)(F)CO;VJNPNJWKFCJLBJ-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226173;MM226173;C=CC(O)CC(F)(F)CC;SNGDZYSMNWHLDP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226174;MM226174;CCC(F)(F)CC(O)C#N;SVSNIPXRQUDDMY-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226175;MM226175;O=CC(O)CC(F)(F)CO;KHUVAVRJXOXIJD-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226176;MM226176;N#CC(O)CC(F)(F)CO;IWARXUKMQHSPFY-UHFFFAOYSA-N;151.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226177;MM226177;C=CC(O)CC(F)(F)CF;CIPSSNDVVJIZSO-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226178;MM226178;O=CC(O)CC(F)(F)CF;NHZIIXZXDFJUJW-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226179;MM226179;C=CC(F)CC(F)(F)CF;QYOFVHSUGGUJGG-UHFFFAOYSA-N;156.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226180;MM226180;C=CC(C)CC(C)(C)NC;FBYNYUGENMSQLY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226181;MM226181;CNC(C)(C)CC(C)C=O;IBJIDXIDBZVVAZ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226182;MM226182;CNC(C)(C)CC(C)C#N;SUTFBTHVYSSUMH-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226183;MM226183;C=CC(O)CC(C)(C)NC;GUNFBQPPNZLDSH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226184;MM226184;C=CC(F)CC(C)(C)NC;ZBEOETYFYCAZPK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226185;MM226185;CNC(C)(C)CC(F)C#N;AZXSUNZBFGMGIR-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226186;MM226186;C=CC(C)CC(C)(C)OC;FSDKSGQTYSDXMO-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226187;MM226187;COC(C)(C)CC(C)C#N;RTANHMOFHGSZQO-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226188;MM226188;C=CC(N)CC(C)(C)OC;BWKQFRNBNOHHBJ-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226189;MM226189;C=CC(O)CC(C)(C)OC;RZHZHQANCYSBPE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226190;MM226190;COC(C)(C)CC(O)C#N;DTEQZXUFDQJFOU-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226191;MM226191;C=CC(F)CC(C)(C)OC;GZNPDISVYZUUQZ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226192;MM226192;COC(C)(C)CC(F)C#N;CUMKDNBLLXHTAC-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226193;MM226193;C=CC(C)NC(C)(C)CC;WPZTUNWHJNGJJF-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226194;MM226194;CCC(C)(C)NC(C)C=O;RNRSSIBNHWIBOV-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226195;MM226195;CCC(C)(C)NC(C)C#N;NWUGQGRQYFGMME-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226196;MM226196;C=CC(C)NC(C)(C)CO;VFZBDESKQRNUEP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226197;MM226197;C=CC(C)NC(C)(C)CF;WTOJXMQSWPBBEP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226198;MM226198;CC(C#N)NC(C)(C)CF;CHKQHYHLJBSKDL-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226199;MM226199;C=CC(C)OC(C)(C)CC;CUZLTFSXORQKSH-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226200;MM226200;CCC(C)(C)OC(C)C=O;CFKGBRSFRFJSIR-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226201;MM226201;CCC(C)(C)OC(C)C#N;AMNRCIVFNKEJLK-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226202;MM226202;C=CC(C)OC(C)(C)CN;KREUIQDDDDEQJC-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226203;MM226203;C=CC(C)OC(C)(C)CO;RJGACDUZVDNICK-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226204;MM226204;C=CC(C)OC(C)(C)CF;GUWBHAOPBYBJAJ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226205;MM226205;CC(C=O)OC(C)(C)CF;QNNKNKKKFNEZLB-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226206;MM226206;CC(C#N)OC(C)(C)CF;IUKIZRNQLGTQNP-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226207;MM226207;CCC(C)(C)CN(C)C=N;JCQROIXADSBPQF-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226208;MM226208;CCC(C)(C)CN(C)C=O;WDVNNKANMAZNKX-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226209;MM226209;CN(C=N)CC(C)(C)CN;BVCZFFSVYDDRJQ-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226210;MM226210;CN(C=N)CC(C)(C)CF;FONPACBLYYRKOU-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226211;MM226211;CCC(C)(C)CN(N)C=N;RFHZIYZBFMPRPB-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226212;MM226212;CCC(C)(C)CN(N)C=O;GBBUYAWZLDBGIR-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226213;MM226213;CC(C)(CO)CN(N)C=N;XMOUOEIBYATFMJ-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226214;MM226214;CC(C)(CF)CN(N)C=N;CIJLFVBFUCNADC-UHFFFAOYSA-N;147.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226215;MM226215;CC(C)(CF)CN(N)C=O;FEZORCGPDOOUCR-UHFFFAOYSA-N;148.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226216;MM226216;CCC(C)(C)CN(O)C=N;WSEUELGKHZTRNQ-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226217;MM226217;CCC(C)(C)CN(O)C=O;SLZJFHDRXGRHFW-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226218;MM226218;CC(C)(CN)CN(O)C=N;MKYIBJXDFFZWFA-UHFFFAOYSA-N;145.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226219;MM226219;CC(C)(CO)CN(O)C=N;ACLDSVMXWWEHEU-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226220;MM226220;CC(C)(CO)CN(O)C=O;HHSRARKVLDMVOZ-UHFFFAOYSA-N;147.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226221;MM226221;CC(C)(CF)CN(O)C=O;IHBVVAWNTOFKSJ-UHFFFAOYSA-N;149.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226222;MM226222;CCC(C)(N)CN(C)C=O;ZIJDGAGTPDIMJG-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226223;MM226223;CN(C=N)CC(C)(N)CO;XLLMTRYBYSPBGG-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226224;MM226224;CN(C=O)CC(C)(N)CO;SEJUBUFPMKEIFC-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226225;MM226225;CCC(C)(N)CN(O)C=N;IZMMZLYGILUFKA-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226226;MM226226;CC(N)(CN)CN(O)C=N;GLDVCKYSCPFRQD-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226227;MM226227;CCC(C)(O)CN(C)C=O;DQHQIORJJXZKRO-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226228;MM226228;CN(C=N)CC(C)(O)CN;WABMELNCFPYPMA-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226229;MM226229;CN(C=O)CC(C)(O)CN;BIYCXWHVAHLHFO-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226230;MM226230;CN(C=N)CC(C)(O)CO;QIGHDZAFZIKHLL-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226231;MM226231;C=NN=C(NO)C(=C)CO;HULPNIRCLNBIBL-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226232;MM226232;CC(O)(CO)CN(N)C=N;KVORHBVQZMVTLL-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226233;MM226233;CNN(C)C(=NOC)NO;LLJRAWGTPRZIJB-UHFFFAOYSA-N;148.17;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226234;MM226234;CC(O)(CN)CN(O)C=N;JGWXCQRUVMYWDA-UHFFFAOYSA-N;147.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226235;MM226235;CCC(C)(F)CN(C)C=N;GNIPIDUICKLORX-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226236;MM226236;CC(F)(CO)CN(N)C=N;IIIPFSUOCUYWQV-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226237;MM226237;CC(F)(CF)CN(N)C=O;FCENFUMLVJXWQM-UHFFFAOYSA-N;152.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226238;MM226238;CCC(F)(F)CN(C)C=N;UDHHUZXFYSHPIS-UHFFFAOYSA-N;150.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226239;MM226239;CCC(F)(F)CN(C)C=O;PCGAMXGMGUCSKW-UHFFFAOYSA-N;151.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226240;MM226240;CCC(F)(F)CN(N)C=N;CPJDQXCQCQROSC-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226241;MM226241;C=NN(C)CC(C)(C)CC;KMGMCSJKMUFCBI-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226242;MM226242;C=NN(C)CC(C)(C)CF;JVRJOLOMCKUACZ-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226243;MM226243;C=NN(C)CC(C)(N)CO;MDOLXIZOXLLOKX-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226244;MM226244;C=NN(C)CC(C)(O)CN;GQTJUQNFELJAPH-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226245;MM226245;C=NNC(CO)=C(F)C=O;XJLUQFYUUQMGKC-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226246;MM226246;C=NN(C)CC(C)(F)CN;CCIWLKFQEMMJAS-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226247;MM226247;C=NN(C)CC(F)(F)CC;BXPNOGZOBQTTRC-UHFFFAOYSA-N;150.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226248;MM226248;CNC(C)(C)CN(C)C=N;LPUHCAJNHVDCEX-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226249;MM226249;CNC(C)(C)CN(N)C=N;QYQWKDPVJZPAAD-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226250;MM226250;CNC(C)(C)CN(N)C=O;XMWQZSXZJARTTL-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226251;MM226251;C=NN(C)CC(C)(C)NC;UBXHTHPLZBVABT-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226252;MM226252;COC(C)(C)CN(C)C=N;LHVXLYXDTYWXAV-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226253;MM226253;COC(C)(C)CN(C)C=O;GJRPFOKUWFIZQF-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226254;MM226254;C=NN(C)CC(C)(C)OC;LLGKGOLDWCLNFW-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226255;MM226255;CCC(C)(C)NN(C)C=O;WVEIWILUEJLWNT-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226256;MM226256;CN(C=N)NC(C)(C)CN;IPHRQLVSPGFQNB-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226257;MM226257;CN(C=O)NC(C)(C)CN;GOVLIXFHRKHXCP-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226258;MM226258;CN(C=N)NC(C)(C)CF;KBCMALYLOYHVRF-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226259;MM226259;CN(C=O)NC(C)(C)CF;WQMZMNLLLCESFU-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226260;MM226260;CCC(C)(C)ON(C)C=N;WPUCIFYEHWJFIM-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226261;MM226261;CCC(C)(C)ON(C)C=O;ICKOBHPHUHUQJM-UHFFFAOYSA-N;145.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226262;MM226262;CN(C=N)OC(C)(C)CN;RJHADDCVZQZQMS-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226263;MM226263;CN(C=O)OC(C)(C)CN;CGCXEODOCBMLOH-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226264;MM226264;C#CC(C)CC(C)(C)CC;PPXQEUFUNMBIKA-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226265;MM226265;C#CC(C)CC(C)(C)CN;DLVGKSHMWHWDEG-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226266;MM226266;C#CC(C)CC(C)(C)CF;OZICAVIOBCNKLA-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226267;MM226267;C#CC(N)CC(C)(C)CC;CDPSCYRXPHCCHG-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226268;MM226268;C#CC(N)CC(C)(C)CF;FFEAJDIOUOBGRC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226269;MM226269;C#CC(O)CC(C)(C)CC;JAQQTTQAJYVTSY-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226270;MM226270;C#CC(F)CC(C)(C)CC;BYKJEBJAQSFJTB-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226271;MM226271;C#CC(F)CC(C)(C)CN;NWYUZKNPEVOFCM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226272;MM226272;C#CC(C)CC(C)(N)CC;UUPNSZHLNCTFMY-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226273;MM226273;C#CC(C)CC(C)(N)CF;URBSQHAGEYXETB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226274;MM226274;C#CC(N)CC(C)(N)CC;OYNUMQRARGIUTD-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226275;MM226275;C#CC(N)CC(C)(N)CN;KASBRFWPPNTDDS-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226276;MM226276;C#CC(O)CC(C)(N)CC;WGIUAGIPIPRCJZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226277;MM226277;C#CC(O)CC(C)(N)CO;XBYUPOWOBLTRJQ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226278;MM226278;C#CC(F)CC(C)(N)CC;LCUNWLJJZJFIQJ-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226279;MM226279;C#CC(F)CC(C)(N)CN;XLMOEFUODLCZNT-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226280;MM226280;C=NN(C=N)C(CO)CO;MDURCMSPFLCVNI-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226281;MM226281;C#CC(C)CC(C)(O)CF;LNNYMUJUNUQXDB-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226282;MM226282;C#CC(N)CC(C)(O)CC;AJOLJLJPDYRILE-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226283;MM226283;C#CC(N)CC(C)(O)CO;KHNATWJQEBNOET-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226284;MM226284;C#CC(F)CC(C)(O)CC;LUKQYOOYYKHLJO-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226285;MM226285;C#CC(C)CC(C)(F)CC;RDWRUJSWZCMZQQ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226286;MM226286;C#CC(C)CC(C)(F)CN;NCOPLUNUKTXLNP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226287;MM226287;C#CC(C)CC(C)(F)CF;FTNROKXZZLBTFF-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226288;MM226288;C#CC(N)CC(C)(F)CC;UCGVUNIHXVETFZ-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226289;MM226289;C#CC(N)CC(C)(F)CO;VWNPVDBLDWKCPD-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226290;MM226290;C#CC(O)CC(C)(F)CC;YIMZDIYIXFKCTF-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226291;MM226291;C#CC(O)CC(C)(F)CN;UWYNMSXNOVVBOG-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226292;MM226292;C#CC(O)CC(C)(F)CO;OGIFANHJXDROME-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226293;MM226293;C#CC(F)CC(C)(F)CF;JAUGKMUVDKCMQL-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226294;MM226294;C#CC(C)CC(F)(F)CC;HNHCVVXTFUGPSE-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226295;MM226295;C#CC(N)CC(F)(F)CC;GTPIMFTXPHRDGD-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226296;MM226296;C#CC(N)CC(F)(F)CO;WUKZBCJOCYQJIU-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226297;MM226297;C#CC(O)CC(F)(F)CC;GBBSOUOFUBWGTP-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226298;MM226298;C#CC(O)CC(F)(F)CO;BXXRFNKNJXVHNF-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226299;MM226299;C#CC(C)CC(C)(C)NC;ACUKYLXDNWQNMA-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226300;MM226300;C#CC(C)CC(C)(C)OC;GPOXBKXWIIEZKQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226301;MM226301;C#CC(N)CC(C)(C)OC;CDPZHULASIGCBI-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226302;MM226302;C#CC(O)CC(C)(C)OC;PHNTXHCUIBVNHV-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226303;MM226303;C#CC(C)NC(C)(C)CC;QAULAJWTBWDSPG-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226304;MM226304;C#CC(C)OC(C)(C)CC;GEYUFFMZEJEONQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226305;MM226305;C#CC(C)OC(C)(C)CO;DHYOLSVESZTREZ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226306;MM226306;C#CC(C)OC(C)(C)CF;OYISTRPBEDPYFF-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226307;MM226307;C#CC(C)OC(C)(C)OC;XMOANCJRQBQNPL-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226308;MM226308;C=CC(C)(C)CC(C)CC;FSCVAURSLOQRMU-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226309;MM226309;C=CC(C)(C)CC(C)CN;YEPPWTSVGAYEBF-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226310;MM226310;C=CC(C)(C)CC(C)CF;XWVMOBDIUSMURF-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226311;MM226311;CCC(C)CC(C)(C)C=O;KHKZGTYUHYYUHX-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226312;MM226312;CCC(C)CC(C)(C)C#N;IURPAGKXROIHJY-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226313;MM226313;C=NN(C=N)C(=CF)CO;MITJBUMMYDDYNK-UHFFFAOYSA-N;145.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226314;MM226314;CC(CF)CC(C)(C)C=O;AKHFZBHERDHNPQ-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226315;MM226315;CC(CF)CC(C)(C)C#N;GGASDANHMWDYAW-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226316;MM226316;C=CC(C)(C)CC(N)CC;PYHWMMHMOMFWHY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226317;MM226317;C=CC(C)(C)CC(N)CN;JJVSETYSNQSFDV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226318;MM226318;C=CC(C)(C)CC(N)CF;AWGXUCRSBBOXDY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226319;MM226319;COC(CO)C(C)C=NN;AOWNYYOAZCFXDC-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226320;MM226320;C=CC(C)(C)CC(O)CN;CQJWJJUZXRFHFD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226321;MM226321;C=CC(C)(C)CC(O)CO;OBLMUTXDECGJEV-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226322;MM226322;C=CC(C)(C)CC(O)CF;XPPGKJGDEPARGA-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226323;MM226323;CCC(O)CC(C)(C)C=O;VUOKDDHPXNMCCG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226324;MM226324;CCC(O)CC(C)(C)C#N;MCIRRZQGJBSAGQ-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226325;MM226325;CC(C)(C=O)CC(O)CO;YIYUIKHIDFTIHM-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226326;MM226326;CC(C)(C#N)CC(O)CO;WIYDABBXBRSNCF-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226327;MM226327;C=CC(C)(C)CC(F)CC;MSHXSEJFMDVHGP-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226328;MM226328;C=CC(C)(C)CC(F)CN;UBHPICWMKBTFNL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226329;MM226329;C=CC(C)(C)CC(F)CO;NGLSSQFZZOUIOM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226330;MM226330;C=CC(C)(C)CC(F)CF;CYDKAVQUVVEWCR-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226331;MM226331;CCC(F)CC(C)(C)C=O;FVGFYNRJDQOMPO-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226332;MM226332;CCC(F)CC(C)(C)C#N;NOPJCIQVZMTUDC-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226333;MM226333;CC(C)(C#N)CC(F)CF;XBMVIEKYVCTBJI-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226334;MM226334;C=CC(C)(N)CC(C)CC;KYNUHVABGHAMJY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226335;MM226335;C=CC(C)(N)CC(C)CO;ZKZKGWRYKWSZQH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226336;MM226336;C=CC(C)(N)CC(C)CF;MDWWOSDPAKZQHC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226337;MM226337;C=CC(C)(N)CC(N)CC;IGLNOOHUDWSOSE-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226338;MM226338;C=CC(C)(N)CC(N)CN;KPFSGFSRCQHUJR-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226339;MM226339;C=CC(C)(N)CC(O)CC;RAYAYROKVMMQLR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226340;MM226340;C=CC(C)(N)CC(O)CO;IEIRIISWFJZCTH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226341;MM226341;C#CCc1ccc(N=N)[nH]1;IRACSBWKWNKTTE-UHFFFAOYSA-N;133.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226342;MM226342;C=CC(C)(O)CC(C)CO;IZONEBXEZXWNET-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226343;MM226343;CCC(C)CC(C)(O)C=O;DXNWXIFEFGEUPZ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226344;MM226344;CCC(C)CC(C)(O)C#N;SNQRFOJWPJLBMT-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226345;MM226345;CC(CO)CC(C)(O)C=O;CJOMRDRHQHKNGO-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226346;MM226346;C=CC(C)(O)CC(N)CC;NOHYUFUIWPZHGK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226347;MM226347;C=CC(C)(O)CC(O)CC;DYXBHLDLFYXCNU-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226348;MM226348;C=CC(C)(O)CC(F)CF;UTVIRHJIFKWFIM-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226349;MM226349;CCC(F)CC(C)(O)C=O;HCTDZADMLXPONV-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226350;MM226350;C=CC(C)(F)CC(C)CC;NHGIWBUTTBMWTR-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226351;MM226351;C=CC(C)(F)CC(C)CN;NKNHMFDFFPHISJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226352;MM226352;C=CC(C)(F)CC(C)CO;ZZBPBJIHTIDXPT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226353;MM226353;C=CC(C)(F)CC(C)CF;ORCHYUFNVUHWIL-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226354;MM226354;CCC(C)CC(C)(F)C=O;NLROVPXZGBUPPU-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226355;MM226355;CCC(C)CC(C)(F)C#N;MCTKTFWWHYSWCF-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226356;MM226356;CC(CO)CC(C)(F)C#N;KJRRUQRMPDKIQR-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226357;MM226357;CC(CF)CC(C)(F)C=O;YFRSFQZFFNONIR-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226358;MM226358;C=CC(C)(F)CC(N)CC;KAIFSPVLSWKAFL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226359;MM226359;C=CC(C)(F)CC(O)CC;XCRYNPSMEKZLOW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226360;MM226360;C=CC(C)(F)CC(O)CO;BTTPCZBNVWLJBQ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226361;MM226361;CCC(O)CC(C)(F)C#N;ZIVBCLKENBLFRS-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226362;MM226362;C=CC(C)(F)CC(F)CC;WZBNQCMZMLICJQ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226363;MM226363;C=CC(C)(F)CC(F)CF;IKZPUMCDTUFKNA-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226364;MM226364;CCC(F)CC(C)(F)C=O;BFEAFYHNIMIFHM-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226365;MM226365;CCC(F)CC(C)(F)C#N;YTMSGGQAJYWJRP-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226366;MM226366;CC(F)(C#N)CC(F)CO;ZHUJLTJFIFUFCV-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226367;MM226367;C=CC(F)(F)CC(C)CC;DNGYWZVCXIQMRW-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226368;MM226368;C=CC(F)(F)CC(C)CF;KUKXPNDRNHCGSG-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226369;MM226369;C=CC(F)(F)CC(N)CF;IUNUKBSWRXRBPA-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226370;MM226370;C=CC(F)(F)CC(O)CC;BVLMFFRHYOQNHD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226371;MM226371;C=CC(F)(F)CC(O)CN;GBKTYRKVQPUNOS-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226372;MM226372;C=CC(F)(F)CC(O)CF;UIVGIDRFHUIEFQ-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226373;MM226373;CCC(O)CC(F)(F)C=O;YMSIBUCUOAPNSX-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226374;MM226374;N#CC(F)(F)CC(O)CO;BWSKTCZNHYCRCK-UHFFFAOYSA-N;151.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226375;MM226375;C=CC(F)(F)CC(F)CC;QOZFJHHRDVPIPZ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226376;MM226376;CCC(F)CC(F)(F)C=O;ALNTZTQBBNNKLM-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226377;MM226377;CCC(F)CC(F)(F)C#N;CTIKZYRCBWMEHR-UHFFFAOYSA-N;151.13;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226378;MM226378;N#CC(F)(F)CC(F)CO;XMCFQKDLTXUZBX-UHFFFAOYSA-N;153.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226379;MM226379;C=CC(C)(C)CC(C)NC;OFLCVSKYTJBELU-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226380;MM226380;CNC(C)CC(C)(C)C=O;QSMSXYGMMRRUOL-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226381;MM226381;CNC(C)CC(C)(C)C#N;MXJDXUCXDOGPTB-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226382;MM226382;CNC(C)CC(C)(O)C=O;NOGSZRXKJJIEAF-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226383;MM226383;CNC(C)CC(C)(F)C=O;GMOBDDBKKDYYEV-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226384;MM226384;CNC(C)CC(C)(F)C#N;IVDWSRFYRKRYMT-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226385;MM226385;C=CC(F)(F)CC(C)NC;LCLWEAPQVJTECW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226386;MM226386;C=CC(C)(C)CC(C)OC;TYLXWZBKBZTPJZ-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226387;MM226387;COC(C)CC(C)(C)C#N;YCVNXMLJMNDGGX-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226388;MM226388;C=CC(C)(N)CC(C)OC;BUPIFYFMXBKKDY-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226389;MM226389;C=CC(C)(O)CC(C)OC;APMHJJFYKFJFKI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226390;MM226390;C=CC(C)(F)CC(C)OC;QMAXHDXLOAVCJZ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226391;MM226391;COC(C)CC(C)(F)C=O;ONAQBUAINJGULZ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226392;MM226392;COC(C)CC(C)(F)C#N;CBOMNJBIWSRELA-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226393;MM226393;COC(C)CC(F)(F)C#N;ZSTCSETVWVPZJN-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226394;MM226394;C=CC(C)(C)NC(C)CC;WPZITUMZLZJMBX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226395;MM226395;C=CC(C)(C)NC(C)CN;LODYMLPWFKRGAQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226396;MM226396;C=CC(C)(C)NC(C)CF;QIQAXXPRQWLQOV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226397;MM226397;CCC(C)NC(C)(C)C#N;OWZBUXDLDIZROS-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226398;MM226398;C=CC(C)(C)OC(C)CC;JMFCBMPLALKHLF-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226399;MM226399;C=CC(C)(C)OC(C)CN;SQSLSCYQFJYWJD-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226400;MM226400;C=CC(C)(C)OC(C)CO;SSRUCWYHFMCUMO-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226401;MM226401;C=CC(C)(C)OC(C)CF;QZYRWFKISPACHT-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226402;MM226402;CCC(C)OC(C)(C)C#N;SSXWACGUVOKYFE-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226403;MM226403;C=CC(C)(C)OC(C)OC;OYTJIOBTKLRGRD-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226404;MM226404;C=CC(C)(C)CN(C)CC;AYRJCAFXKCOAKV-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226405;MM226405;CCN(C)CC(C)(C)C=O;OBZULKWVRYAXMM-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226406;MM226406;C=CC(C)(O)CN(C)CC;SATFKAMYPBLGQR-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226407;MM226407;CCN(C)CC(C)(O)C=O;DAVVZOADRLSNDH-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226408;MM226408;C=CC(C)(F)CN(C)CC;XFIYBUMYBUAHPN-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226409;MM226409;CCN(C)CC(C)(F)C#N;VYAVRKBGZDULJL-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226410;MM226410;CCN(C)CC(F)(F)C#N;JHZFZAVJMALEMF-UHFFFAOYSA-N;148.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226411;MM226411;C=CC(C)CC(C)(C)C=C;BPZYZQYNXNSQRC-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226412;MM226412;C=CC(C)(C)CC(C)C=O;QXURAAVHJMNXFL-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226413;MM226413;C=CC(C)(C)CC(C)C#N;MUEJXJVVWOVBEP-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226414;MM226414;C=CC(C)CC(C)(C)C=O;RAWDCRHMUHAECC-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226415;MM226415;C=CC(C)CC(C)(C)C#N;XWHMUHQRBYCDCJ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226416;MM226416;CC(C=O)CC(C)(C)C=O;DEWDNJBLBUQYAT-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226417;MM226417;CC(C=O)CC(C)(C)C#N;IKKUOKITRFYBRY-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226418;MM226418;CC(C#N)CC(C)(C)C=O;RMEMHGCVJFZJTR-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226419;MM226419;CC(C#N)CC(C)(C)C#N;SIJDDBXWZSHHJP-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226420;MM226420;C=CC(N)CC(C)(C)C=C;MWWPEMYHRWHJRT-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226421;MM226421;CC1CC2NC2(CO)CO1;QWCOOJNQKOAGFV-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226422;MM226422;C=CC(C)(C)CC(O)C#N;WIUNRPSKLOIJOU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226423;MM226423;C=CC(O)CC(C)(C)C=O;VBAYXUZHXQQGAH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226424;MM226424;C=CC(O)CC(C)(C)C#N;WMIKPDRNZHNMIP-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226425;MM226425;C=CC(F)CC(C)(C)C=C;XGMUPZZHDKCDPG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226426;MM226426;C=CC(C)(C)CC(F)C=O;JQQBXNQAOIQCOT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226427;MM226427;C=CC(C)(C)CC(F)C#N;NDALHOVKXWQFKF-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226428;MM226428;C=CC(F)CC(C)(C)C=O;DMLWKMGVMQUWED-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226429;MM226429;C=CC(F)CC(C)(C)C#N;YIYDRYVLQAJBFY-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226430;MM226430;CC(C)(C=O)CC(F)C#N;UOIITTLOPQBHNI-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226431;MM226431;CC(C)(C#N)CC(F)C#N;AVVKZAVIUGEVLO-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226432;MM226432;C=CC(C)CC(C)(N)C=C;GQYFURGJLLFZNQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226433;MM226433;C=CC(F)CC(C)(N)C=C;ZTXPRABEFJARRQ-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226434;MM226434;O=C1CC2NC2(CO)CO1;HJQFRUNREUTGEU-UHFFFAOYSA-N;143.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226435;MM226435;C=CC(C)(O)CC(C)C=O;HZXHLWHDLRITDG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226436;MM226436;C=CC(C)(O)CC(C)C#N;ZRSZYZKOJCDXSK-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226437;MM226437;C=CC(C)CC(C)(O)C#N;HGKCMNNCAXQTIV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226438;MM226438;CC(C#N)CC(C)(O)C#N;FYNWRBSEZWDZJF-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226439;MM226439;C=CC(O)CC(C)(O)C=C;VSPPUXUNNOZHJY-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226440;MM226440;CC(O)(C=O)CC(O)C=O;PUABBUNZDXNIAG-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226441;MM226441;CC(O)(C#N)CC(O)C=O;LUKKNKMWMRHEDD-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226442;MM226442;CC(O)(C#N)CC(O)C#N;SJHNYSFNHPJVMB-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226443;MM226443;C=CC(F)CC(C)(O)C=C;RCWUJHUXGGWSPI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226444;MM226444;C=CC(C)(O)CC(F)C#N;KGLKQNMEHUXEGY-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226445;MM226445;C=CC(F)CC(C)(O)C#N;LNACAWPVYLIKCY-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226446;MM226446;CC(O)(C#N)CC(F)C#N;RTOKZTKHAYPSBK-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226447;MM226447;C=CC(C)CC(C)(F)C=C;JWPZMZQXVHGITD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226448;MM226448;C=CC(C)(F)CC(C)C=O;CGVPPBSKDZMVSV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226449;MM226449;C=CC(C)(F)CC(C)C#N;CNVXQPGXDRZFIT-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226450;MM226450;C=CC(C)CC(C)(F)C#N;NGWDRUYXNKSBNY-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226451;MM226451;CC(C=O)CC(C)(F)C#N;GTZKGKWKTUXCRS-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226452;MM226452;C=CC(N)CC(C)(F)C=C;DELVXXCMQUFGNZ-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226453;MM226453;C=CC(O)CC(C)(F)C=C;ZBQLNJJUGLSOQM-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226454;MM226454;C=CC(O)CC(C)(F)C#N;KDGTUTOICSYFSN-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226455;MM226455;C=CC(F)CC(C)(F)C=C;RLCYMGAQCDESTA-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226456;MM226456;C=CC(C)(F)CC(F)C=O;CTCRFGKQJOHKED-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226457;MM226457;C=CC(C)(F)CC(F)C#N;REPDFHCQGBICRL-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226458;MM226458;C=CC(F)CC(C)(F)C=O;VHGBIDPQFAWCKH-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226459;MM226459;C=CC(F)CC(C)(F)C#N;GLTUAVKRVSYRQL-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226460;MM226460;C=CC(C)CC(F)(F)C#N;LFPAWVJAJIVKTA-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226461;MM226461;CC(C=O)CC(F)(F)C#N;UHPVUHIEVGOVPZ-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226462;MM226462;C=CC(N)CC(F)(F)C=C;MBXJEDLVDFHECH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226463;MM226463;C=CC(F)CC(F)(F)C=C;SDJSRAIWOGEYAU-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226464;MM226464;N#CC(F)CC(F)(F)C=O;YDAJWLWWCSZNSV-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226465;MM226465;N#CC(F)CC(F)(F)C#N;CIDKVGXTWPMLTD-UHFFFAOYSA-N;148.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226466;MM226466;C=CC(C)NC(C)(C)C=C;AWCCWQMSZWKRGX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226467;MM226467;C=CC(C)(C)NC(C)C#N;HHTPUWIEBHPUFE-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226468;MM226468;C=CC(C)NC(C)(C)C#N;CVJZIJLKDZJYGA-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226469;MM226469;C=CC(C)OC(C)(C)C=C;WBJVJVPADCFSJZ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226470;MM226470;C=CC(C)(C)OC(C)C=O;ZFASMCSITICYEH-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226471;MM226471;C=CC(C)(C)OC(C)C#N;LUAJXNSUIRSKGF-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226472;MM226472;C=CC(C)OC(C)(C)C=O;MWHURBBAUODIKU-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226473;MM226473;C=CC(C)OC(C)(C)C#N;ATOFOPNRMNMOKQ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226474;MM226474;C=CC(C)(C)CN(C)C=N;DUESDMZYGIJWPK-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226475;MM226475;C=CC(C)(C)CN(C)C=O;AJGBEGFLAGVNHC-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226476;MM226476;CN(C=O)CC(C)(C)C=O;GFBLKGUSOGVVDY-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226477;MM226477;C=CC(C)(C)CN(N)C=N;WUSXJACCOWNYPY-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226478;MM226478;C=CC(C)(C)CN(N)C=O;XPSYCDFHRWJZLE-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226479;MM226479;C=CC(C)(C)CN(O)C=N;XWDVMSSERUTNSN-UHFFFAOYSA-N;142.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226480;MM226480;C=CC(C)(C)CN(O)C=O;KSOLVQRLWWODMU-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226481;MM226481;C=CC(C)(O)CN(C)C=N;ZKHYSXWXXORMSI-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226482;MM226482;C=CC(C)(O)CN(C)C=O;DFOVXSRNIQZKNV-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226483;MM226483;C=CC(C)(O)CN(N)C=N;ZNKJPCADNBIEOA-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226484;MM226484;C#CC1C(O)C1CC=NN;GNRZQZOZIBQHSS-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226485;MM226485;C=CC(C)(F)CN(C)C=N;JZSPQBQUEMFAQK-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226486;MM226486;C=CC(C)(F)CN(N)C=N;RRQNSEGCDVKUQB-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226487;MM226487;CN(C=N)CC(F)(F)C=O;MAGYQGDIBRIGJU-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226488;MM226488;C=CC(C)(C)CN(C)N=C;XKKWHGRWFDVTFT-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226489;MM226489;C=NN(C)CC(C)(C)C=O;SXQGVASJJXEROT-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226490;MM226490;C=NN(C)CC(C)(C)C#N;BPCRZVYUFAJGRB-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226491;MM226491;C=NN1CC1(C)CO;WOYWWSSPCVOSRH-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226492;MM226492;C=CC(C)(F)CN(C)N=C;IUGWFQWKEJCHRY-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226493;MM226493;C=NN(C)CC(F)(F)C=O;JRAZYAGTFZJQHC-UHFFFAOYSA-N;150.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226494;MM226494;CN(C=N)NC(C)(C)C=O;ZYJRKCRNTACXQZ-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226495;MM226495;C=CC(C)(C)ON(C)C=O;VWXRKHSLXSEFCI-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226496;MM226496;C#CC(C)CC(C)(C)C=C;KGZFEHIDQGNWEZ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226497;MM226497;C#CC(C)CC(C)(C)C=O;WZJQKGVHERJUHT-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226498;MM226498;C#CC(C)CC(C)(C)C#N;JBAHYHKYPARRJD-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226499;MM226499;C#CC(N)CC(C)(C)C=C;LKIMCKOIZONPDX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226500;MM226500;C#CC(O)CC(C)(C)C=C;BVUOTAVFVKDKES-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226501;MM226501;C#CC(O)CC(C)(C)C=O;IQHTZDYNFNJCTN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226502;MM226502;C#CC(F)CC(C)(C)C=C;SQYNMQUYLXSKBG-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226503;MM226503;C#CC(F)CC(C)(C)C=O;XFWJUWVFEQSKIE-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226504;MM226504;C#CC(F)CC(C)(C)C#N;DGRRDNCMLOFULL-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226505;MM226505;C#CC(C)CC(C)(N)C=C;FHAVDFAIQDWWQA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226506;MM226506;C#CC(O)CC(C)(N)C=C;KNNKWXNVRIWJGP-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226507;MM226507;COCC1(CO)CN1;PYZGVOQOYIXSEX-UHFFFAOYSA-N;117.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226508;MM226508;C#CC(C)CC(C)(O)C#N;VWYKWWCGWWQQSB-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226509;MM226509;C#CC(N)CC(C)(O)C=C;QOCOAYMUVGMKMO-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226510;MM226510;C#CC(O)CC(C)(O)C=O;ABTPTQXYJNLRDS-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226511;MM226511;C#CC(F)CC(C)(O)C#N;FXPZZMKUDQAYDE-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226512;MM226512;C#CC(C)CC(C)(F)C=C;FHXQTPQWPWZAMZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226513;MM226513;C#CC(C)CC(C)(F)C=O;SDCWKCJDRKZZCR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226514;MM226514;C#CC(C)CC(C)(F)C#N;MPCADAWRSMAAGG-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226515;MM226515;C#CC(N)CC(C)(F)C=C;SIGHGNIAONFXAU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226516;MM226516;C#CC(O)CC(C)(F)C=C;XMNVASZELJMDPH-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226517;MM226517;C#CC(F)CC(C)(F)C=C;NRLSOTVBTYSLJC-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226518;MM226518;C#CC(F)CC(C)(F)C=O;OFLFLDGTFXGEKJ-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226519;MM226519;C#CC(C)CC(F)(F)C=C;DFTZDINPICCAEF-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226520;MM226520;C#CC(C)CC(F)(F)C#N;BLROBWOIVXKAGY-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226521;MM226521;C#CC(N)CC(F)(F)C=C;BBODYSDJPYNLCJ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226522;MM226522;C#CC(O)CC(F)(F)C#N;KEUBXESCPPVKAF-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226523;MM226523;C#CC(F)CC(F)(F)C=C;TYOORBIYWACCJZ-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226524;MM226524;C#CC(C)NC(C)(C)C=C;MCJDFWREZXVZDZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226525;MM226525;C#CC(C)NC(C)(C)C#N;QWFFLGZGUYRKAU-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226526;MM226526;C#CC(C)OC(C)(C)C=C;PSZRYQDQDKAAKL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226527;MM226527;C#CC(C)(C)CC(C)CC;RHHYGICVUGQLEN-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226528;MM226528;C#CC(C)(C)CC(C)CN;SAFVJFKQFWRYBT-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226529;MM226529;C#CC(C)(C)CC(C)CF;GDKGGJAQQOUPRB-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226530;MM226530;C#CC(C)(C)CC(N)CC;RRYVFZCTIASUFK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226531;MM226531;C#CC(C)(C)CC(N)CN;QYZBNYZFCDPCDK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226532;MM226532;COc1cnc(N)o1;AFMIPONXYWTEEV-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226533;MM226533;C#CC(C)(C)CC(O)CO;WLWOUELRRJZMOI-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226534;MM226534;C#CC(C)(C)CC(F)CC;IQGHEMCQJGTIDR-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226535;MM226535;C#CC(C)(C)CC(F)CN;NQHNMBMZSOILLD-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226536;MM226536;C#CC(C)(C)CC(F)CO;IWJBBRHHQUGGAR-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226537;MM226537;C#CC(C)(C)CC(F)CF;JRHVZWAJLRSGOF-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226538;MM226538;C#CC(C)(N)CC(C)CC;UYRKAJDUMQSPKA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226539;MM226539;C#CC(C)(N)CC(C)CF;QVIGCXSOGWDPID-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226540;MM226540;C#CC(C)(N)CC(N)CN;DCUDLCOFEXSSCS-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226541;MM226541;C#CC(C)(N)CC(N)CO;XZTJLXZNVUMTOM-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226542;MM226542;C#CC(C)(N)CC(N)CF;CLEVJAMZIITQSR-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226543;MM226543;C#CC(C)(N)CC(O)CC;PGBHSNAVFULSGG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226544;MM226544;C#CC(C)(N)CC(O)CN;SEXTVEBGVOBLDC-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226545;MM226545;C#CC(C)(N)CC(O)CO;JHYSZFNYWCNPRE-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226546;MM226546;C#CC(C)(N)CC(F)CN;ZLJPMWKWRFMXOF-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226547;MM226547;C#CC(C)(N)CC(F)CO;CKEUBPOABNUJDJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226548;MM226548;C#CC(C)(O)CC(C)CC;XCICJLXPTNBUNU-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226549;MM226549;C#CC(C)(O)CC(C)CF;SFSOJHZHWJGMFV-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226550;MM226550;C#CC(C)(O)CC(N)CC;APCZJZPDKSMZJE-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226551;MM226551;C#CC(C)(O)CC(N)CN;QNWSYGKPWWQXIT-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226552;MM226552;C#CC(C)(O)CC(N)CO;LTSVGXIPEBMYEH-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226553;MM226553;C#CC(C)(O)CC(N)CF;PYCALURGZWPIJT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226554;MM226554;C#CC(C)(O)CC(O)CN;PYPSKLKGTNIHBX-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226555;MM226555;C#CC(C)(O)CC(O)CO;PKGGLMIZPCWOBP-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226556;MM226556;C#CC(C)(O)CC(F)CN;WUHAEUGELKYRFN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226557;MM226557;C#CC(C)(F)CC(C)CC;ZOYRSIAOGMZXQK-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226558;MM226558;C#CC(C)(F)CC(N)CC;WYTTWKFWDKRUNL-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226559;MM226559;C#CC(C)(F)CC(N)CN;WBUQQLROADGMJZ-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226560;MM226560;C#CC(C)(F)CC(O)CO;RPWDUTWQGAEGCQ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226561;MM226561;C#CC(C)(F)CC(F)CF;RDDLZEDLIXWVQI-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226562;MM226562;C#CC(F)(F)CC(N)CC;OKHQULXDOCHIJG-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226563;MM226563;C#CC(F)(F)CC(N)CN;MXVJSNFVEZCJRY-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226564;MM226564;C#CC(F)(F)CC(N)CO;PQVRMRMVNMQGIG-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226565;MM226565;C#CC(F)(F)CC(O)CO;DLZYEQXNJVPEEC-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226566;MM226566;C#CC(F)(F)CC(O)CF;IPPYTGWJGWOILL-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226567;MM226567;C#CC(F)(F)CC(F)CN;SMSBZWGODFPXPN-UHFFFAOYSA-N;151.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226568;MM226568;C#CC(F)(F)CC(F)CO;LUYYMTNOADNQGT-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226569;MM226569;C#CC(C)(C)CC(C)NC;QHVNOZVDDANNSL-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226570;MM226570;C#CC(C)(C)CC(C)OC;SEFYHCCBRZZPOG-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226571;MM226571;C#CC(C)(N)CC(C)OC;MYPIDLSNEOSLGJ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226572;MM226572;C#CC(C)(O)CC(C)OC;UHYVRSXQLIFRJE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226573;MM226573;C#CC(C)(F)CC(C)OC;PFIXWDGKHHGHDD-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226574;MM226574;C#CC(F)(F)CC(C)OC;YBBUKNJVGIOFLQ-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226575;MM226575;C#CC(C)(C)NC(C)CC;HHCAICNOCNPTKA-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226576;MM226576;C#CC(C)(C)OC(C)CC;YEKHFFMIKAVYJK-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226577;MM226577;C#CC(C)(C)OC(C)CN;YZOZOFFMNWTTHE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226578;MM226578;C#CC(C)(C)OC(C)CO;SKESHHIFNXAVGQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226579;MM226579;C#CC(C)(C)OC(C)CF;AAEZVWDFJQVUGZ-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226580;MM226580;C#CC(C)(C)OC(C)OC;ZHTGYKCXLLEERL-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226581;MM226581;C#CC(C)(C)CN(C)CC;YINVKSXERCFEES-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226582;MM226582;C#CC(F)(F)CN(C)CC;YYHFTBHUSSCODW-UHFFFAOYSA-N;147.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226583;MM226583;C#CC(C)(C)CC(C)C=C;OTGDQFHEOCXZLT-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226584;MM226584;C#CC(C)(C)CC(C)C=O;XGNKPIDCLGNUGU-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226585;MM226585;C#CC(C)(C)CC(C)C#N;FWYSQGKDTVGZBK-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226586;MM226586;C#CC(C)(C)CC(N)C=C;DIYOEZQCQLXFKI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226587;MM226587;N#Cc1c[nH]nc1N;FFNKBQRKZRMYCL-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226588;MM226588;C#CC(C)(C)CC(O)C#N;FFGNLCJGWBDKBK-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226589;MM226589;C#CC(C)(C)CC(F)C=C;WLKHRZWFXNZJIT-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226590;MM226590;C#CC(C)(C)CC(F)C=O;JNRLSWOVJRKIRC-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226591;MM226591;C#CC(C)(C)CC(F)C#N;MYBJCDZAJPBKNW-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226592;MM226592;C#CC(C)(N)CC(C)C=C;PSOQIUJZUXIELQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226593;MM226593;C#CC(C)(N)CC(O)C=C;WGYBKNQHOGHFSR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226594;MM226594;C#CC(C)(N)CC(F)C=C;UDZIZIWRTUBXBG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226595;MM226595;C#CC(C)(O)CC(O)C=O;LPWGZXMUTHXNKL-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226596;MM226596;C#CC(C)(O)CC(F)C=C;ILJKPCJWUDVHBS-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226597;MM226597;C#CC(C)(O)CC(F)C=O;UUASGSRRVAYZDB-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226598;MM226598;C#CC(C)(F)CC(C)C=C;GLMDATBIJMURLX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226599;MM226599;C#CC(C)(F)CC(C)C#N;UGPLWBFHNKRPJF-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226600;MM226600;C#CC(C)(F)CC(N)C=C;KGODFLKVSSVRDP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226601;MM226601;C#CC(C)(F)CC(O)C#N;QCJNGHVGZADHPZ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226602;MM226602;C#CC(C)(F)CC(F)C=C;WYNXPVFGCIOYGB-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226603;MM226603;C#CC(C)(C)NC(C)C=C;YFVSRGLUWNVGQC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226604;MM226604;C#CC(C)(C)OC(C)C=C;MCNCNUQLSBSMOB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226605;MM226605;C#CC(C)(C)OC(C)C=O;ZBSRWASCXPZTKS-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226606;MM226606;C#CC(C)(C)OC(C)C#N;FTUSMIUMODXBKK-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226607;MM226607;C#CC(C)(C)CN(C)C=N;DNCABPAXNVTYSS-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226608;MM226608;C#CC(C)(C)CN(C)C=O;LROTYAJOHQQNLF-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226609;MM226609;C#CC(C)(C)CN(N)C=N;CQCIMOUTGOPLEH-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226610;MM226610;C#CC(C)(O)CN(N)C=N;PNRRYGBQSZPJSC-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226611;MM226611;CC(=NN)OC(C)CO;QATRUAJRWCQREX-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226612;MM226612;C#CC(C)(F)CN(C)C=N;MBFVRSFHGBKYOH-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226613;MM226613;C#CC(C)(F)CN(C)C=O;IUSSRLWYSNMWAE-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226614;MM226614;C#CC(C)(C)CN(C)N=C;XYAHXRKZSPPHIR-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226615;MM226615;CC(C)(O)C1NC1CF;QKZCJGOZKWMHJW-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226616;MM226616;C#CC(C)(F)CN(C)N=C;AZBRYFJIPGUGNA-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226617;MM226617;C#CC(F)(F)CN(C)N=C;QZWRGJJYRJJATG-UHFFFAOYSA-N;146.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226618;MM226618;C#CC(C)CC(C)(C)C#C;FQJHJCHHGUXGOJ-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226619;MM226619;C#CC(N)CC(C)(C)C#C;UREWHFSMFYDEEM-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226620;MM226620;C#CC(O)CC(C)(C)C#C;LQVGCTOTTTWBFZ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226621;MM226621;C#CC(F)CC(C)(C)C#C;REPGYJVVRMBCLQ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226622;MM226622;C#CC(C)CC(C)(N)C#C;QDSVRLNTDDAWJS-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226623;MM226623;C#CC(F)CC(C)(N)C#C;GZPFFYIXUMHBSW-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226624;MM226624;C#CC(C)CC(C)(O)C#C;GNOGPAKDCFYHBO-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226625;MM226625;C#CC(F)CC(C)(O)C#C;PVBXMVQEALBVDI-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226626;MM226626;C#CC(C)CC(C)(F)C#C;SVMLLDZGDOAAGM-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226627;MM226627;C#CC(N)CC(C)(F)C#C;ZNZXGLXEBICSQI-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226628;MM226628;C#CC(O)CC(C)(F)C#C;ZATXUPMEYAXARN-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226629;MM226629;C#CC(N)CC(F)(F)C#C;GIFRQIQMTOAGQI-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226630;MM226630;C#CC(O)CC(F)(F)C#C;OOKWQQWPKODAML-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226631;MM226631;C#CC(C)OC(C)(C)C#C;RSVVKXWIUUVIJQ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226632;MM226632;C=C(CC)CC(C)(C)CC;GOGSWRABTKMDFU-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226633;MM226633;C=C(CN)CC(C)(C)CC;FZNAKKWEATVHSS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226634;MM226634;C=C(CO)CC(C)(C)CC;SSZQBMGQHXVDRM-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226635;MM226635;C=C(CF)CC(C)(C)CC;YEOXXOFVACAESE-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226636;MM226636;C=C(CC)CC(C)(C)CN;UNLOSUCEYZHBTF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226637;MM226637;C=C(CN)CC(C)(C)CN;AWAMARONHCNGLT-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226638;MM226638;C=C(CF)CC(C)(C)CN;JJWWHZBWCGJECX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226639;MM226639;CNC(=O)N(N)C(C)=O;SFYNZNWGJUBDTF-UHFFFAOYSA-N;131.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226640;MM226640;C=C(CN)CC(C)(C)CO;ZGWALLJDUGTOLA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226641;MM226641;CON=COC(C)CO;VMSTVSOSKWCZOO-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226642;MM226642;C=C(CC)CC(C)(C)CF;VDLFHHICPJHPDW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226643;MM226643;C=C(CN)CC(C)(C)CF;JERVNBDYHGHXLD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226644;MM226644;C=C(CO)CC(C)(C)CF;RFNWPEODDRSOPH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226645;MM226645;C=C(CF)CC(C)(C)CF;GSIVGJJMGDMTSW-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226646;MM226646;CCC(=O)CC(C)(C)CC;FDIHFDFPNVBQCP-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226647;MM226647;CCC(C)(C)CC(=O)CO;FWJFBMQIBLWMBJ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226648;MM226648;CCC(C)(C)CC(=O)CF;FXISXOSQWXDXGY-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226649;MM226649;CC(C)(CO)CC(=O)CF;GNTHPBRLXRJKNQ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226650;MM226650;CC(C)(CF)CC(=O)CF;IDGSRSRPLVMDCO-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226651;MM226651;C=C(CC)CC(C)(N)CC;OHQRTBZNDRXQRX-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226652;MM226652;C=C(CN)CC(C)(N)CC;ZCODMTYQAYXNDQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226653;MM226653;C=C(CO)CC(C)(N)CC;FONSWZLVUAQGSE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226654;MM226654;C=C(CF)CC(C)(N)CC;KVIIJKULBWKWNQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226655;MM226655;C=C(CN)CC(C)(N)CN;OZWWFSMIKDNZSL-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226656;MM226656;C=C(CO)CC(C)(N)CN;BRKGWFDFNLGPAN-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226657;MM226657;C=C(CC)CC(C)(N)CF;OFLPAISBQJBEGH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226658;MM226658;C=C(CF)CC(C)(N)CF;FXHVJIPPWJEVGH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226659;MM226659;Nc1[nH]c(N)c(F)c1F;ADTJXYKCFCFUCN-UHFFFAOYSA-N;133.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226660;MM226660;C=C(CN)CC(C)(O)CC;ZXGXRGDQAVSDKH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226661;MM226661;C=C(CO)CC(C)(O)CC;KKJPLCVPBOVYHY-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226662;MM226662;C=C(CF)CC(C)(O)CC;VHGOJXRTAFSCSH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226663;MM226663;C=C(CC)CC(C)(O)CO;HZEACJFKQKKDPZ-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226664;MM226664;C=C(CN)CC(C)(O)CO;UXGGDVRVVQTDNV-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226665;MM226665;C=C(CO)CC(C)(O)CO;OMCWZNOSCOVWPH-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226666;MM226666;C=C(CC)CC(C)(O)CF;INEXLDKJDUTMAR-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226667;MM226667;CCC(=O)CC(C)(O)CC;NGVUNKBOBWPIOQ-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226668;MM226668;CCC(C)(O)CC(=O)CF;PPVCXGLBDUNTCV-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226669;MM226669;CC(O)(CF)CC(=O)CF;ANIVMOVMSXUBLQ-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226670;MM226670;C=C(CC)CC(C)(F)CC;NREREEGCQFISAP-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226671;MM226671;C=C(CN)CC(C)(F)CC;VYSYHUSRFCYQPK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226672;MM226672;C=C(CF)CC(C)(F)CC;CIQJLDRRWOIREW-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226673;MM226673;C=C(CC)CC(C)(F)CN;RKUIFVKZLYNDOK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226674;MM226674;C=C(CN)CC(C)(F)CN;ONAKVTQVUVNDJG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226675;MM226675;C=C(CC)CC(C)(F)CO;IGBVEXWNRFZUPT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226676;MM226676;C=C(CO)CC(C)(F)CF;GEKDGPZTEWDYFP-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226677;MM226677;CCC(=O)CC(C)(F)CC;INIVNLVEXYHQML-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226678;MM226678;CCC(=O)CC(C)(F)CF;DGTWZKLULMVYOR-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226679;MM226679;C=C(CN)CC(F)(F)CC;PIZFLJAEUZFKAT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226680;MM226680;C=C(CO)CC(F)(F)CC;HLMFLANTJBXTFF-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226681;MM226681;C=C(CF)CC(F)(F)CC;GLHXCCMVQLESMU-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226682;MM226682;C=C(CN)CC(F)(F)CN;FZIIVGYVYIOSMZ-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226683;MM226683;C=C(CC)CC(F)(F)CO;WEYXRLGWHPWTAY-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226684;MM226684;C=C(CO)CC(F)(F)CO;DDDIJYHHJWBBND-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226685;MM226685;C=C(CN)CC(F)(F)CF;MWLPYRWHCPFVFZ-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226686;MM226686;C=C(CO)CC(F)(F)CF;IORPXRHUPHQGRJ-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226687;MM226687;CCC(=O)CC(F)(F)CC;DVLZEQCTJIFZEN-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226688;MM226688;CCC(F)(F)CC(=O)CF;OTJLNASVZSUAPC-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226689;MM226689;O=C(CF)CC(F)(F)CF;DMPOGELWJGURSZ-UHFFFAOYSA-N;158.09;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226690;MM226690;CCC(C)(C)CC(=N)NC;CCNWVQWWLRCQPB-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226691;MM226691;CCC(C)(C)CC(=N)NN;KMLHWINOAHAEDS-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226692;MM226692;CCC(C)(C)CC(=N)NO;NRTVVIZZJVJXST-UHFFFAOYSA-N;144.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226693;MM226693;CC(C)(CO)CC(=N)NN;ZYMFXKPURNJASK-UHFFFAOYSA-N;145.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226694;MM226694;CC(C)(CO)CC(=N)NO;YBSCKCXDECISLH-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226695;MM226695;CC=Cc1cnc(N)o1;PSUHBZLQDLPBET-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226696;MM226696;CNc1[nH]nc(F)c1C;HPBSORYWJXHOFA-UHFFFAOYSA-N;129.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226697;MM226697;CCC(C)(C)CC(=O)NO;HULPNRWPVFLVMF-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226698;MM226698;CNC(=O)CC(C)(C)CN;OFHNHLGHVXSGMV-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226699;MM226699;CC(C)(CN)CC(=O)NO;DFVCGISDYOANGC-UHFFFAOYSA-N;146.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226700;MM226700;CC(C)(CO)CC(=O)NO;SURKLLOOQLWDKR-UHFFFAOYSA-N;147.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226701;MM226701;CNC(=O)CC(C)(C)CF;NRLBTXKEFMAZEK-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226702;MM226702;CC(N)(CN)CC(=N)NO;DAWKIPIANQDAKG-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226703;MM226703;CNC(=N)CC(C)(N)CO;KQBNJPRFTCXYSF-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226704;MM226704;CCC(C)(N)CC(=O)NC;CCEYTYPQFYVFOC-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226705;MM226705;CCC(C)(N)CC(=O)NO;BXOSSQXLOODXQM-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226706;MM226706;CNC(=O)CC(C)(N)CN;SSHSWLFYJCFPRE-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226707;MM226707;CNC(=O)CC(C)(N)CO;WTNHQULLNOFEKK-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226708;MM226708;CCC(C)(O)CC(=N)NO;UOSOSGVAYYMWAD-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226709;MM226709;CNC(=N)CC(C)(O)CN;QADJJUFJUZMESP-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226710;MM226710;CC(O)(CN)CC(=N)NO;XEMKWCAPDZXAFI-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226711;MM226711;CC(O)(CO)CC(=N)NN;JVTPWZHRXFHQTN-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226712;MM226712;CC(O)(CO)CC(=N)NO;PBESNIXRYPOYFH-UHFFFAOYSA-N;148.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226713;MM226713;NN(C=O)C(CO)CO;KMAUPNBYMLOLFU-UHFFFAOYSA-N;134.14;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226714;MM226714;CCC(C)(O)CC(=O)NO;HUSQLZLZFYLQON-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226715;MM226715;CNC(=O)CC(C)(O)CN;QHRMPLBXVAMJQU-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226716;MM226716;CC(O)(CN)CC(=O)NO;VLNUEVQJJBWZPH-UHFFFAOYSA-N;148.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226717;MM226717;CNC(=O)N(C=O)NC;YZKBUMIHYCRTHR-UHFFFAOYSA-N;131.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226718;MM226718;CC(O)(CO)CC(=O)NO;KVXMZGOBSCODRY-UHFFFAOYSA-N;149.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226719;MM226719;CNC(=N)CC(C)(F)CN;QOXNSOGCGVGDBD-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226720;MM226720;CC(F)(CN)CC(=N)NO;CRVUEWPVEVTHOP-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226721;MM226721;CC(F)(CF)CC(=N)NN;YINCBWPPOWZUAL-UHFFFAOYSA-N;151.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226722;MM226722;CC(F)(CF)CC(=N)NO;KSDFMOLJBQTZGX-UHFFFAOYSA-N;152.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226723;MM226723;CCC(C)(F)CC(=O)NC;PRNSRDFQLRNTDJ-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226724;MM226724;CNC(=O)CC(C)(F)CN;ABOJCXHXJRYBHX-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226725;MM226725;CC(F)(CO)CC(=O)NO;LOMKQFMKAWPTCV-UHFFFAOYSA-N;151.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226726;MM226726;CCC(F)(F)CC(=N)NC;XWIVBNOSVMCGAQ-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226727;MM226727;CNC(=N)CC(F)(F)CO;WJTJGJCOYMJDEM-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226728;MM226728;NNC(=O)CC(F)(F)CO;XCQKSHDRVSNEGL-UHFFFAOYSA-N;154.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226729;MM226729;O=C(CC(F)(F)CO)NO;MMVJKODULWQTGJ-UHFFFAOYSA-N;155.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226730;MM226730;C=C(CC(C)(C)CC)OC;ONJYOCNJXNASLX-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226731;MM226731;C=C(CC(C)(C)CN)OC;SNJKEVVPQGLPNT-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226732;MM226732;C=C(CC(C)(C)CF)OC;DOVZLOGRVRFHNO-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226733;MM226733;CCC(C)(C)CC(=O)OC;IPCWFHVHMBOKPA-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226734;MM226734;COC(=O)CC(C)(C)CN;PCOYHIRCXWHSKU-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226735;MM226735;COC(=O)CC(C)(C)CO;USFSJBKOJRCRLA-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226736;MM226736;C=C(CC(C)(N)CC)OC;CTGKWONOQLOWGM-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226737;MM226737;C=C(CC(C)(N)CN)OC;PNERAKXFUORPDU-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226738;MM226738;C=C(CC(C)(N)CF)OC;XIZDBHLJKKRURA-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226739;MM226739;COC(=O)CC(C)(N)CN;XUHAQKJWQJFWTP-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226740;MM226740;COC(=O)CC(C)(N)CO;WPXKEXSYTQPMLX-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226741;MM226741;C=C(CC(C)(O)CC)OC;GUVGVESSXFAYSD-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226742;MM226742;C=C(CC(C)(O)CF)OC;IAWZJJCKRGGTKL-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226743;MM226743;CCC(C)(O)CC(=O)OC;UDWYINMRIFIIGL-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226744;MM226744;COC(=O)CC(C)(O)CO;OZINIUXCCGESFP-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226745;MM226745;COC(=O)CC(C)(O)CF;RBHOCIQOXQXQQR-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226746;MM226746;C=C(CC(C)(F)CC)OC;OJGLNSPHIHCPLR-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226747;MM226747;C=C(CC(C)(F)CN)OC;JFRVQRHBSGXYIZ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226748;MM226748;C=C(CC(C)(F)CF)OC;MBFSHMSZSAQKNJ-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226749;MM226749;COC(=O)CC(C)(F)CO;RJZBOXCVNSYBNY-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226750;MM226750;C=C(CC(F)(F)CC)OC;OERDDZXSLSEMNT-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226751;MM226751;C=C(CC(F)(F)CO)OC;HXTGKAFNSBTMSG-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226752;MM226752;CCC(F)(F)CC(=O)OC;KYZPTYKWCVHPIR-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226753;MM226753;COC(=O)CC(F)(F)CF;XTFPLAXBWKWWFZ-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226754;MM226754;C=C(CC)CC(C)(C)NC;HQSRQWWWSJBBSE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226755;MM226755;C=C(CF)CC(C)(C)NC;FHJPUSTYBYHLDH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226756;MM226756;CCC(=O)CC(C)(C)NC;BRJIAZVURGGVIL-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226757;MM226757;CNC(C)(C)CC(=O)CO;YQUIKBWCSYYYQF-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226758;MM226758;CNC(C)(C)CC(=O)CF;UDGRFHDVQAJANP-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226759;MM226759;CNC(=N)CC(C)(C)NC;AJIDIYCNBJCUOA-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226760;MM226760;CNC(C)(C)CC(=N)NN;PGBILTXDVPKGSM-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226761;MM226761;CNC(C)(C)CC(=O)NN;TUWQALFHUOZWSI-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226762;MM226762;CNC(C)(C)CC(=O)NO;FFUDSGAGKGTXRQ-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226763;MM226763;C=C(CC(C)(C)NC)OC;PKJUYDWFJGQMHS-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226764;MM226764;CNC(C)(C)CC(=O)OC;NKRXMQJBFXQBGU-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226765;MM226765;C=C(CC)CC(C)(C)OC;VGQLHGRXUSAZIR-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226766;MM226766;C=C(CN)CC(C)(C)OC;OOAKOASZARQIJY-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226767;MM226767;C=C(CO)CC(C)(C)OC;FONQKHJZIXMION-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226768;MM226768;C=C(CC(C)(C)OC)OC;JDKQIOHLZRCMKQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226769;MM226769;COC(=O)CC(C)(C)OC;VQZYJSGQFJYWBJ-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226770;MM226770;CCC(=N)NC(C)(C)CC;GNAUZSQRXZIWGZ-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226771;MM226771;CCC(C)(C)NC(=N)CO;RILPMOCCDMGUNW-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226772;MM226772;CC(C)(CN)NC(=N)CN;VKVSXWRQPGZWIH-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226773;MM226773;CC(C)(CN)NC(=N)CO;HQNSRRIUFVXUIT-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226774;MM226774;CCC(=N)NC(C)(C)CO;JTNMSPYVTLDWCE-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226775;MM226775;CC(C)(CO)NC(=N)CO;NXBBQMFKNGPLRK-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226776;MM226776;CCC(=N)NC(C)(C)CF;IEHUIWDJDJJBAE-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226777;MM226777;CC(C)(CF)NC(=N)CO;UGKNOZDOZXHOAW-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226778;MM226778;COC(CO)CC=NN;BVLBPPYIZCIAQC-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226779;MM226779;CCC(C)(C)NC(=O)CO;JJNAIASIKVTQEB-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226780;MM226780;CCC(C)(C)NC(=O)CF;ODFWNFIJFLLFMP-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226781;MM226781;CCC(=O)NC(C)(C)CN;HFABGEPNTSENTG-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226782;MM226782;CC(C)(CN)NC(=O)CN;ONPHZOQABZPHGG-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226783;MM226783;CC(C)(CN)NC(=O)CO;SZVVFDZXDOYKEF-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226784;MM226784;CC(C)(CN)NC(=O)CF;XACFSCRVYLXDCQ-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226785;MM226785;CC(C)(CO)NC(=O)CO;APEQQFQZNVXMMT-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226786;MM226786;CCC(=O)NC(C)(C)CF;BMYZRWLQGMAFIY-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226787;MM226787;CCC(C)(C)NC(=N)NC;CLDYKTCFMYBIEH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226788;MM226788;CCC(C)(C)NC(=N)NN;LFRWLQAXPVHJEW-UHFFFAOYSA-N;144.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226789;MM226789;CNC(=N)NC(C)(C)CN;PSNPTLKFMZVSKO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226790;MM226790;CC(C)(CN)NC(=N)NO;GUYMSMCNTNLGMD-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226791;MM226791;CNC(=N)NC(C)(C)CF;NCIJEVSJAYVLQI-UHFFFAOYSA-N;147.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226792;MM226792;CCC(C)(C)NC(=O)NC;LSSQACAWDIQGDH-UHFFFAOYSA-N;144.22;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226793;MM226793;CCC(C)(C)NC(=O)NO;YYFAOVWXGGLIIL-UHFFFAOYSA-N;146.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226794;MM226794;CNC(=O)NC(C)(C)CN;QVWIJOGRWRORBM-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226795;MM226795;CC(C)(CN)NC(=O)NO;WWHQGINQPGKNKD-UHFFFAOYSA-N;147.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226796;MM226796;CCOCC1(CO)CN1;ZXNRGQNOWJNTOW-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226797;MM226797;CC(C)(CO)NC(=O)NO;OQFWXHHQJJXCQR-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226798;MM226798;CC(C)(CF)NC(=O)NO;RELFLFXDRUCVIO-UHFFFAOYSA-N;150.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226799;MM226799;CCC(C)(C)NC(=N)OC;BVSMKXCKANTFCR-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226800;MM226800;COC(=O)NC(C)(C)CO;ZZOINDLUIBTCGV-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226801;MM226801;C=C(CC)OC(C)(C)CC;HPUUGQUCKBNJGR-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226802;MM226802;C=C(CN)OC(C)(C)CC;ORMOPLFMSRFDBE-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226803;MM226803;C=C(CO)OC(C)(C)CC;SWYYOILNDDPFHW-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226804;MM226804;C=C(CF)OC(C)(C)CC;JDMDPIPPUSTVAA-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226805;MM226805;C=C(CN)OC(C)(C)CN;RJXNABMTWXRSMG-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226806;MM226806;C=C(CO)OC(C)(C)CN;COWDOVRDIZXWJO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226807;MM226807;C=C(CF)OC(C)(C)CN;FCLGNBGVERMILR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226808;MM226808;C=C(CN)OC(C)(C)CO;QFIYXFGDQMSUKG-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226809;MM226809;C=C(CF)OC(C)(C)CO;HTKIAUJVXKCENX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226810;MM226810;C=C(CO)OC(C)(C)CF;YEXLPMBLPXOVNE-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226811;MM226811;CCC(=O)OC(C)(C)CC;RHSLWHLBYFOBAF-UHFFFAOYSA-N;144.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226812;MM226812;CCC(C)(C)OC(=O)CF;KXTLQHNHHBVIHD-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226813;MM226813;CCC(=O)OC(C)(C)CN;LDTWJFWIEFXBMG-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226814;MM226814;CC(C)(CN)OC(=O)CN;HMZKHKUJPHEZLP-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226815;MM226815;CCC(=O)OC(C)(C)CF;LSTRTUBYBCUYIP-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226816;MM226816;CC(C)(CF)OC(=O)CF;BPMBOTLRZGESTK-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226817;MM226817;CCC(C)(C)OC(=N)NC;NEBLQMUHRNLBHO-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226818;MM226818;CC(C)(CN)OC(=N)NO;XZUAYLYXQPKVJV-UHFFFAOYSA-N;147.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226819;MM226819;CNC(=N)OC(C)(C)CF;WMEAZWASCYKQSQ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226820;MM226820;CCC(C)(C)OC(=O)NC;LWZPUBXEDDBZFF-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226821;MM226821;O=CNCC1(CO)CN1;WUQILVDMZISEJU-UHFFFAOYSA-N;130.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226822;MM226822;CCC(C)(C)OC(=O)OC;ACXCGORLDALIQA-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226823;MM226823;COC(=O)OC(C)(C)CF;JPIKKEVKBVKQHO-UHFFFAOYSA-N;150.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226824;MM226824;C=C(CF)OC(C)(C)OC;KAHKWKUWHGDWOK-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226825;MM226825;CCC(=O)OC(C)(C)OC;WGGWLCPCOPWGRX-UHFFFAOYSA-N;146.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226826;MM226826;COC(C)(C)OC(=O)CF;ACPXWWGRMDWZNL-UHFFFAOYSA-N;150.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226827;MM226827;COC(=O)OC(C)(C)OC;YTCHZEOJXFIHRP-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226828;MM226828;C=CC(=C)CC(C)(C)CC;NFGAKJNEFRPHHI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226829;MM226829;C=C(C=O)CC(C)(C)CC;KKURRSWPBKSCBD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226830;MM226830;C=C(C#N)CC(C)(C)CC;AESYDXKIYAXTNM-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226831;MM226831;C=CC(=C)CC(C)(C)CN;GFYZUAYGXZHGBV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226832;MM226832;C=COCC1(CO)CN1;RXBAPOWFHMFACH-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226833;MM226833;O=COCC1(CO)CN1;CLWWDZDGBKLXBK-UHFFFAOYSA-N;131.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226834;MM226834;C=C(C=O)CC(C)(C)CF;MZOQOBPRSBSKTL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226835;MM226835;C=CC(=O)CC(C)(C)CC;MSOUXHQMDJJRCU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226836;MM226836;CCC(C)(C)CC(=O)C=O;MLQWEPFNWNTOKE-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226837;MM226837;CCC(C)(C)CC(=O)C#N;SSMXUIRTNNLZFT-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226838;MM226838;C=CC(=O)CC(C)(C)CO;PESVQBMDFDHILJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226839;MM226839;C=CC(=O)CC(C)(C)CF;QEAFPFUKLWRFOP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226840;MM226840;CC(C)(CF)CC(=O)C=O;CMNBDBYEDHJTQE-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226841;MM226841;CC(C)(CF)CC(=O)C#N;PWUNJWOWSKCCPU-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226842;MM226842;C=CC(=C)CC(C)(N)CC;YBOQGYPAPJRTMX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226843;MM226843;C=CC(=C)CC(C)(N)CF;FUAMSLRTEOOOGK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226844;MM226844;C#Cc1cnc(NC)o1;HLVAYLLRGOJYJR-UHFFFAOYSA-N;122.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226845;MM226845;C=C(C=O)CC(C)(O)CC;IZYBRCBCVODCKV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226846;MM226846;C=C(C#N)CC(C)(O)CC;UONSZBHNPGZFSW-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226847;MM226847;C=CC(=C)CC(C)(O)CO;IEATVODXXNWTHM-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226848;MM226848;C=CC(=C)CC(C)(O)CF;JTYUOTOFQMVKJP-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226849;MM226849;C=CC(=O)CC(C)(O)CC;YQXPPMRJGRJFEJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226850;MM226850;CC(O)(CO)CC(=O)C#N;KOEJTTMLITWRFU-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226851;MM226851;C=CC(=C)CC(C)(F)CC;DBWNAWCVCSXRBG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226852;MM226852;C=C(C=O)CC(C)(F)CC;WMMMXDPCJNGEDB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226853;MM226853;C=C(C#N)CC(C)(F)CC;FSXBXGRJVDSQNO-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226854;MM226854;C=CC(=C)CC(C)(F)CN;COUACBHPERZKHE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226855;MM226855;C=CC(=C)CC(C)(F)CO;YGAIQVMPXLWLFH-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226856;MM226856;C=CC(=C)CC(C)(F)CF;KWICHXSSNFQUPQ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226857;MM226857;C=C(C=O)CC(C)(F)CF;GFVRXVUKMGYPSF-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226858;MM226858;C=C(C#N)CC(C)(F)CF;BJUXQODIFGATQJ-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226859;MM226859;C=CC(=O)CC(C)(F)CC;IGMIYXWMHIZNJZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226860;MM226860;CCC(C)(F)CC(=O)C#N;AESSYMVUZAJRFK-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226861;MM226861;C=CC(=O)CC(C)(F)CF;YEOHFFDKWJXLNI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226862;MM226862;C=CC(=C)CC(F)(F)CC;PBCQNHXXZGADKV-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226863;MM226863;C=C(C=O)CC(F)(F)CC;QYLPAFVFDCKCHE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226864;MM226864;C=C(C#N)CC(F)(F)CC;GPHZDLOSSHAVKH-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226865;MM226865;C=C(C#N)CC(F)(F)CO;VYNQEMUZZUNCOZ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226866;MM226866;C=CC(=C)CC(F)(F)CF;GFJJQSWWVOYUNU-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226867;MM226867;C=CC(=O)CC(F)(F)CC;YDMVQWPWFRUGSP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226868;MM226868;CCC(F)(F)CC(=O)C=O;OTVBATXZKGEIQU-UHFFFAOYSA-N;150.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226869;MM226869;CCC(F)(F)CC(=O)C#N;JZOMOCXOHHIDFZ-UHFFFAOYSA-N;147.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226870;MM226870;C=CC(=O)CC(F)(F)CF;QBONKWWTTJSPRW-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226871;MM226871;C=CC(=C)CC(C)(C)NC;ITFIYMXKSNEQAY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226872;MM226872;C=C(C=O)CC(C)(C)NC;TZDWNNWBSDUXHE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226873;MM226873;C=C(C#N)CC(C)(C)NC;AKMILDNNQGMTMT-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226874;MM226874;C=CC(=O)CC(C)(C)NC;NYPQXMMQHBOGQJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226875;MM226875;C=CC(=C)CC(C)(C)OC;MHNIHTPKROKYBM-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226876;MM226876;C=C(C#N)CC(C)(C)OC;XGAYWQHLMXVVFN-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226877;MM226877;C=CC(=O)CC(C)(C)OC;USPDNQYEUPEOLG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226878;MM226878;C=CC(=N)NC(C)(C)CC;HYQZNDNMKHQWGR-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226879;MM226879;CCC(C)(C)N=C(N)C=O;LVHRVQWSNVLJSK-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226880;MM226880;CCC(C)(C)NC(=N)C#N;TXNHMZRPVSZLLQ-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226881;MM226881;N=Nc1cc(CF)c[nH]1;XAYNYGYJTNOKLI-UHFFFAOYSA-N;127.12;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226882;MM226882;C=C1C=CC2(CO)NC12;ZKZUWBMURWXNTH-UHFFFAOYSA-N;123.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226883;MM226883;C=CC(=N)NC(C)(C)CF;VDGHHQDMABEJEM-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226884;MM226884;O=C1C=CC2(CO)NC12;BZWMJISEOHJDNT-UHFFFAOYSA-N;125.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226885;MM226885;CCC(C)(C)NC(=O)C#N;ZTOSYSGZQBBLIM-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226886;MM226886;C=CC(=O)NC(C)(C)CN;YVUQMAJXBBRQNH-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226887;MM226887;CC=NNC(C)C(C)(C)O;MXNDSBLZOYQPOM-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226888;MM226888;CC(C)(CF)NC(=O)C=O;WXTCGRBGQIXQOF-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226889;MM226889;C=CC(=C)OC(C)(C)CC;VOFHHTGHZSOGQU-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226890;MM226890;C=C(C=O)OC(C)(C)CC;MGYLXEYMFVZMAU-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226891;MM226891;C=C(C#N)OC(C)(C)CC;YVYUZZJXRKRPIC-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226892;MM226892;C=CC(=C)OC(C)(C)CN;UENSHROOTWBTKU-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226893;MM226893;C=C(C#N)OC(C)(C)CF;NYJMFVZFQGOUGA-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226894;MM226894;C=CC(=O)OC(C)(C)CC;FSVQAZDYQRQQKH-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226895;MM226895;CCC(C)(C)OC(=O)C=O;PEEIVPALTWAFSO-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226896;MM226896;CCC(C)(C)OC(=O)C#N;QOGFGMRBSRFWCS-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226897;MM226897;C=CC(=O)OC(C)(C)CF;BRFGZUWMBHGIMT-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226898;MM226898;CC(C)(CF)OC(=O)C#N;LSVZAXBDUGXAKF-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226899;MM226899;C=CC(=C)OC(C)(C)OC;SAGZDNWUDNRKOX-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226900;MM226900;C=C(C=O)OC(C)(C)OC;IMOIKETWGLZDFI-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226901;MM226901;C=C(C#N)OC(C)(C)OC;XVWQWFCWFQYQDY-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226902;MM226902;C=CC(=O)OC(C)(C)OC;VKTSIIPENPQZNK-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226903;MM226903;C#CC(=C)CC(C)(C)CC;YLJKXDFMRWMIKU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226904;MM226904;C#CC(=C)CC(C)(C)CN;KUUQWMFLLSOUGE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226905;MM226905;C#CC(=C)CC(C)(C)CF;BJRWAYDTHVHVFP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226906;MM226906;C#CC(=O)CC(C)(C)CC;YKYMPXRFWOUGLZ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226907;MM226907;C#CC(=O)CC(C)(C)CF;WYZPUAZWJSUEKK-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226908;MM226908;C#CC(=C)CC(C)(N)CC;KCOFFLVKVDIMCY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226909;MM226909;C#CC(=C)CC(C)(N)CN;WBEFGQRPVBWTTH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226910;MM226910;C#CC(=C)CC(C)(N)CF;GXHDTVDKDAUETD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226911;MM226911;CC(O)CON=CC(N)=O;OMMUCZKCAKFFTB-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226912;MM226912;C#CC(=C)CC(C)(O)CO;MYNHFNSXOOOAFM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226913;MM226913;C#CC(=O)CC(C)(O)CC;WMXSBLBDAFOBSP-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226914;MM226914;C#CC(=O)CC(C)(O)CO;NLNTYQOKHQMTPG-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226915;MM226915;C#CC(=C)CC(C)(F)CC;YXTRJYJBBOINLA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226916;MM226916;C#CC(=C)CC(C)(F)CN;HSAWPRLBOPJQJO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226917;MM226917;C#CC(=C)CC(C)(F)CF;WKSUCVFNQFHSTJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226918;MM226918;C#CC(=O)CC(C)(F)CC;TXADIKGQYMCCBB-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226919;MM226919;C#CC(=O)CC(C)(F)CF;NQSIZPLRQQDUMM-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226920;MM226920;C#CC(=C)CC(F)(F)CC;ZIEOVLJOWPIQCH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226921;MM226921;C#CC(=O)CC(F)(F)CC;KUVNIFKONWMJHB-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226922;MM226922;C#CC(=C)CC(C)(C)NC;SOJMQXMWIYTSRU-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226923;MM226923;C#CC(=C)CC(C)(C)OC;XLIOASNNLXOBKL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226924;MM226924;C#CC(=O)CC(C)(C)OC;RYJKFBCRMIDBSI-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226925;MM226925;C#CC(=N)NC(C)(C)CC;DVMJKXJCEWKGBH-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226926;MM226926;C#CC(=N)NC(C)(C)CN;GSZIIAKNZDVUCF-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226927;MM226927;C#CC(=O)NC(C)(C)CC;TXTPTVAXCYQNLA-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226928;MM226928;C#CC(=O)NC(C)(C)CN;ASUUCDAVRTVIQC-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226929;MM226929;C#CC(=O)NC(C)(C)CO;OFJISXZYAXZQDK-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226930;MM226930;C#CC(=C)OC(C)(C)CC;AMXZUHDNYRARPP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226931;MM226931;C#CC(=C)OC(C)(C)CN;CFFDGZULSGERGR-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226932;MM226932;C#CC(=C)OC(C)(C)CO;ZMSMFLIDOAMHRH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226933;MM226933;C#CC(=C)OC(C)(C)CF;SEGAGPXXHZSUEQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226934;MM226934;C#CC(=O)OC(C)(C)CC;FPTPXYDXWKNXPM-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226935;MM226935;C#CC(=O)OC(C)(C)CN;BEHSYWXPDUSLKA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226936;MM226936;C#CC(=O)OC(C)(C)CF;FKHOWXYSLVAXNZ-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226937;MM226937;C#CC(=C)OC(C)(C)OC;FFLJKOOCTUOWLB-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226938;MM226938;C=CC(C)(C)CC(=C)CC;DGWPOPPVKTUCPK-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226939;MM226939;C=CC(C)(C)CC(=C)CN;XFPKEHVSUSWBOK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226940;MM226940;C=CC(C)(C)CC(=C)CO;AXJPFJMUMZLIBV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226941;MM226941;C=CC(C)(C)CC(=C)CF;GLEPWPWYLFMHII-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226942;MM226942;C=C(CC)CC(C)(C)C=O;QFGXQHBVNSGYDO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226943;MM226943;C=C(CC)CC(C)(C)C#N;HLLHRZNABKVTTE-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226944;MM226944;C=C(CO)CC(C)(C)C#N;PNPQFJWWVFKQNX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226945;MM226945;C=C(CF)CC(C)(C)C=O;CSSUORQJSJGKTB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226946;MM226946;C=C(CF)CC(C)(C)C#N;OUUSFOXSVFDQJG-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226947;MM226947;C=CC(C)(C)CC(=O)CC;USCHTFGICOJIRT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226948;MM226948;C=CC(C)(C)CC(=O)CF;DHZRLUJYVWGTPT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226949;MM226949;CCC(=O)CC(C)(C)C=O;GEHLYLSQGSDERA-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226950;MM226950;CCC(=O)CC(C)(C)C#N;QVKRPCUMUDYXAC-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226951;MM226951;CC(C)(C#N)CC(=O)CO;IVODAKJBLVKAMG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226952;MM226952;CC(C)(C=O)CC(=O)CF;GAKHPYYQTDNASJ-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226953;MM226953;CC(C)(C#N)CC(=O)CF;NQOCLFHKOPIOBT-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226954;MM226954;C=CC(C)(N)CC(=C)CC;NCSRNXJGTINASB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226955;MM226955;C=CC(C)(N)CC(=C)CF;RAAYNLNSEZVJAK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226956;MM226956;CCC(C)(O)C=CC=NN;DLHZUGMEAVBGHI-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226957;MM226957;C=C(CC)CC(C)(O)C#N;FETIEURKPZUEKA-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226958;MM226958;C=C(CO)CC(C)(O)C#N;QYTSXNSTAZSQDJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226959;MM226959;C=CC(C)(O)CC(=O)CC;ORZSBGWQUYEKAW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226960;MM226960;C=CC(C)(O)CC(=O)CO;PCRQSICLZVWGGF-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226961;MM226961;C=CC(C)(O)CC(=O)CF;BSZKZKIWYCNYGX-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226962;MM226962;CC(O)(C#N)CC(=O)CO;UDXLRJRLYIEVPR-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226963;MM226963;CC(O)(C#N)CC(=O)CF;ZUBYGIJFSPIJMT-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226964;MM226964;C=CC(C)(F)CC(=C)CC;GYHLFOKOSJPXCE-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226965;MM226965;C=CC(C)(F)CC(=C)CN;XXMBREWVESUOFU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226966;MM226966;C=CC(C)(F)CC(=C)CF;IIOLHLRBTWDDSS-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226967;MM226967;C=C(CC)CC(C)(F)C=O;APWYBSKXIBJOCQ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226968;MM226968;C=C(CC)CC(C)(F)C#N;LLBPRRIHXKVQCI-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226969;MM226969;C=C(CO)CC(C)(F)C#N;KHNLJIYRYVIQOD-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226970;MM226970;C=C(CF)CC(C)(F)C=O;STDYTOKWODLGHR-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226971;MM226971;C=C(CF)CC(C)(F)C#N;FVZAYSURUBANCJ-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226972;MM226972;C=CC(C)(F)CC(=O)CC;YWVUEGVEXYSPLC-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226973;MM226973;C=CC(C)(F)CC(=O)CF;OBESVQPUESISDX-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226974;MM226974;CCC(=O)CC(C)(F)C#N;HHPJQYHMNKEUOA-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226975;MM226975;CC(F)(C#N)CC(=O)CF;ZMICHRIJXZISBH-UHFFFAOYSA-N;147.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226976;MM226976;C=CC(F)(F)CC(=C)CC;XZODZPUNKWRNGH-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226977;MM226977;C=CC(F)(F)CC(=C)CO;AYFIPRGUVKXKOH-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226978;MM226978;C=CC(F)(F)CC(=C)CF;WAGJPDGVUCHHFY-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226979;MM226979;C=CC(F)(F)CC(=O)CC;SLSSKMRBMNXEHR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226980;MM226980;C=CC(F)(F)CC(=O)CF;ZBVHEMXSGOEZEF-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226981;MM226981;CCC(=O)CC(F)(F)C#N;KDZSLXHVJPNBJX-UHFFFAOYSA-N;147.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226982;MM226982;N#CC(F)(F)CC(=O)CO;PMOCGQUCAKQSBY-UHFFFAOYSA-N;149.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226983;MM226983;C=CC(C)(C)CC(=N)NC;POQKHMZEUAOLSZ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226984;MM226984;C=CC(C)(C)CC(=N)NN;OANMYIKOQRANDK-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226985;MM226985;C=CC(C)(C)CC(=N)NO;NOSGTPLKGIVAJS-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226986;MM226986;CN=C(N)CC(C)(C)C=O;WZDRYOXYXJVHGA-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226987;MM226987;CNC(=N)CC(C)(C)C#N;XGSWANYYPKNXMP-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226988;MM226988;CC(C)(C=O)CC(=N)NO;CIHWYQDTLNSLAI-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226989;MM226989;CC(CO)OC=NN(C)C;BCKZZNPGHOGVIG-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226990;MM226990;CNN=C(C)OC(C)CO;XALXPADIHNKXAV-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226991;MM226991;C=CC(C)(C)CC(=O)NO;RMCVSGWANBOUSJ-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226992;MM226992;CC(C)(C=O)CC(=O)NO;ANDCOAGZDWDABN-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226993;MM226993;CC(C)(C#N)CC(=O)NO;PMCGIBSNGJHOLE-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226994;MM226994;C=CC(C)(N)CC(=N)NC;CEAJJDUTCJOOHG-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226995;MM226995;C=CC(C)(N)CC(=O)NO;AVKXJFCCXFCQDH-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226996;MM226996;CNC(=N)CC(C)(O)C#N;JZHOVHBMZUWNNG-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226997;MM226997;CC(O)(C=O)CC(=N)NO;OKZQXCVLUBZLAF-UHFFFAOYSA-N;146.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226998;MM226998;CC(O)(C#N)CC(=N)NO;WBZDSBWVMJNLNT-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM226999;MM226999;C=CC(C)(F)CC(=N)NN;ZWKVBXQZUNZIRJ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227000;MM227000;CC(F)(C#N)CC(=N)NO;WYOJALCLCJKCLW-UHFFFAOYSA-N;145.14;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227001;MM227001;CC(C)(O)C1NC1CC#N;ZNBBHATVOLDTEN-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227002;MM227002;C=CC(C)(F)CC(=O)NO;XIVNHAOCRXLEKI-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227003;MM227003;CNC(=N)CC(F)(F)C#N;ROPJVQKOYNGGAC-UHFFFAOYSA-N;147.13;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227004;MM227004;NC(CC(F)(F)C=O)=NO;MPDIGWUDFKUEKP-UHFFFAOYSA-N;152.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227005;MM227005;C=CC(F)(F)CC(=O)NC;OFHKRMTZGWWNKB-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227006;MM227006;CNC(=O)CC(F)(F)C=O;YORYEHKGOLMFCX-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227007;MM227007;C=CC(C)(C)CC(=C)OC;WYKOJCUKIPQVIF-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227008;MM227008;C=C(CC(C)(C)C=O)OC;FTLDCIYOZJSMJF-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227009;MM227009;C=C(CC(C)(C)C#N)OC;SWPSEZYXAJLZTG-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227010;MM227010;C=CC(C)(C)CC(=O)OC;MKLKDUHMZCIBSJ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227011;MM227011;COC(=O)CC(C)(C)C=O;RLJBQDVDJONDQX-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227012;MM227012;COC(=O)CC(C)(C)C#N;YLMVBVOUQGVTGX-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227013;MM227013;C=CC(C)(N)CC(=C)OC;LRBDJIUCGPMJQW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227014;MM227014;C=CC(C)(O)CC(=C)OC;UPCORTIBUQPALZ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227015;MM227015;C=C(CC(C)(O)C=O)OC;FXZLMEGADKBYSN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227016;MM227016;C=C(CC(C)(O)C#N)OC;TZCKANOIDAMULO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227017;MM227017;C=CC(C)(O)CC(=O)OC;IMDPMSIGUYFJDN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227018;MM227018;COC(=O)CC(C)(O)C#N;PHISMEJOAQGPBN-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227019;MM227019;C=CC(C)(F)CC(=C)OC;YRUPZZYOZMUKOE-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227020;MM227020;C=C(CC(C)(F)C=O)OC;NQUULPDFMFOUSJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227021;MM227021;C=C(CC(C)(F)C#N)OC;HGEFVRIQJCKCAE-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227022;MM227022;C=CC(C)(F)CC(=O)OC;ZSZKGYLDWWXZBA-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227023;MM227023;C=CC(F)(F)CC(=C)OC;YTAKDEIJOOIUCK-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227024;MM227024;C=CC(F)(F)CC(=O)OC;FOPPBOGZBNFMCB-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227025;MM227025;C=CC(C)(C)NC(=N)CC;GWYBHQOFVUPQCR-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227026;MM227026;CCC(=N)NC(C)(C)C=O;GABDDKZYZYAOIO-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227027;MM227027;CC(C)(C=O)N=C(N)CO;MHGLFXBEUIDAII-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227028;MM227028;CC(C)(C#N)NC(=N)CO;OJJDOFODCKMVGP-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227029;MM227029;C=CCN1CC1C(C)(C)O;JKMFILMNICZGBR-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227030;MM227030;CC(C)(C#N)NC(=O)CO;AXKLFKXPEZDLOK-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227031;MM227031;C=CC(C)(C)NC(=N)NC;KNVNIXPIZFGCMJ-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227032;MM227032;C=CC(C)(C)NC(=O)NC;SZZZLXGXGHOXTB-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227033;MM227033;C=CC(C)(C)OC(=C)CC;WEDMCNYKEACJHN-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227034;MM227034;C=CC(C)(C)OC(=C)CN;PJNAQLVPPWSTMJ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227035;MM227035;C=CC(C)(C)OC(=C)CO;VIBJDHIDRFIMEB-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227036;MM227036;C=CC(C)(C)OC(=C)CF;ZHLDICCTPFMTAF-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227037;MM227037;C=C(CC)OC(C)(C)C#N;XGJPQRFTTQNNJM-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227038;MM227038;C=C(CF)OC(C)(C)C=O;FYUNRYSSBFLCFN-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227039;MM227039;C=C(CF)OC(C)(C)C#N;LDHHSBCUBUZVIS-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227040;MM227040;C=CC(C)(C)OC(=O)CC;VFMYORRRBUMZLC-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227041;MM227041;C=CC(C)(C)OC(=O)CO;JZZRNYPLMDDVAT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227042;MM227042;C=CC(C)(C)OC(=O)CF;QXOWGKSGHBPWAF-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227043;MM227043;CCC(=O)OC(C)(C)C=O;RSLQJLKSLFCBQG-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227044;MM227044;CCC(=O)OC(C)(C)C#N;XOVBKLWRZLGSGD-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227045;MM227045;CC(C)(C=O)OC(=O)CO;BHWDYNLHDYPVRO-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227046;MM227046;CC(C)(C#N)OC(=O)CF;LJGPFYXXYCGGSK-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227047;MM227047;C=CC(C)(C)OC(=N)NC;KNZYQCUZLQNVFQ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227048;MM227048;C=CC(C)(C)OC(=O)NC;KSVYWMJGPGBEJL-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227049;MM227049;CC(C)(C=O)OC(=O)NO;QIUJYBSALMQTRZ-UHFFFAOYSA-N;147.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227050;MM227050;CC(C)(C#N)OC(=O)NO;WMHLHMMJSIMMTH-UHFFFAOYSA-N;144.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227051;MM227051;C=CC(C)(C)OC(=O)OC;IDPCESUDADBKMH-UHFFFAOYSA-N;144.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227052;MM227052;COC(=O)OC(C)(C)C=O;XUKHDJNZPFDROW-UHFFFAOYSA-N;146.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227053;MM227053;COC(=O)OC(C)(C)C#N;BRBKFBSIOTUBBQ-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227054;MM227054;C=CC(=C)CC(C)(C)C=C;SABZJMSYUZUYML-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227055;MM227055;C=CC(C)(C)CC(=C)C=O;BXYDOFBPPXOMMP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227056;MM227056;C=CC(C)(C)CC(=C)C#N;MKAMYBDNOLNVQJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227057;MM227057;C=CC(=C)CC(C)(C)C=O;USLQMPCVDKQFRZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227058;MM227058;C=CC(=C)CC(C)(C)C#N;MBWCHKRIJJLYNA-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227059;MM227059;C=C(C=O)CC(C)(C)C=O;YFLVPRIYAKUSIF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227060;MM227060;C=C(C#N)CC(C)(C)C=O;KPTMPMHBXBVJBT-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227061;MM227061;C=C(C=O)CC(C)(C)C#N;WEVPJHREIBPXPK-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227062;MM227062;C=C(C#N)CC(C)(C)C#N;RTSXMVLUAKQFFZ-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227063;MM227063;C=CC(=O)CC(C)(C)C=C;YDRHZCHSILRUTE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227064;MM227064;C=CC(C)(C)CC(=O)C#N;WABSZCAQFKJFLW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227065;MM227065;C=CC(=O)CC(C)(C)C=O;BOTBXIIWCLGWKG-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227066;MM227066;C=CC(=O)CC(C)(C)C#N;ISOVTGGEMCWHOS-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227067;MM227067;CC(C)(C=O)CC(=O)C#N;DDXWVLZTOLVRQE-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227068;MM227068;CC(C)(C#N)CC(=O)C=O;GTKCYOGXSATHEM-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227069;MM227069;CC(C)(C#N)CC(=O)C#N;HUWNFZZVUZNEFX-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227070;MM227070;C=CC(=C)CC(C)(N)C=C;CVPRTDZWDBGXRX-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227071;MM227071;CC(C)(O)C1CN1CC#N;SHIDXBJPLQJBEN-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227072;MM227072;C=CC(C)(O)CC(=C)C=O;HYFVULNXGXZSDH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227073;MM227073;C=CC(C)(O)CC(=C)C#N;RYXDDZDYJUCTIB-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227074;MM227074;C=CC(=C)CC(C)(O)C#N;KFWRHBGHUAUAJP-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227075;MM227075;C=C(C#N)CC(C)(O)C#N;DFKWJDBJXXUIFM-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227076;MM227076;C=CC(=O)CC(C)(O)C=C;CGDMGOWDVOJSFV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227077;MM227077;C=CC(=O)CC(C)(O)C=O;AOFLGMMISIDZSK-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227078;MM227078;C=CC(=O)CC(C)(O)C#N;IGHXHDUYDDBWMW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227079;MM227079;C=CC(=C)CC(C)(F)C=C;RFCYWNPHUWELPI-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227080;MM227080;C=CC(C)(F)CC(=C)C=O;ABZPYWBXCZMYKM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227081;MM227081;C=CC(C)(F)CC(=C)C#N;JKDIMSHGJXOYNX-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227082;MM227082;C=CC(=C)CC(C)(F)C=O;FTLWTURQSXBKMS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227083;MM227083;C=CC(=C)CC(C)(F)C#N;QWJDNZSSSFAXCB-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227084;MM227084;C=C(C=O)CC(C)(F)C#N;IOTVVKNBZWMCMH-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227085;MM227085;C=C(C#N)CC(C)(F)C#N;ZSRQNQXVZDMJOA-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227086;MM227086;C=CC(=O)CC(C)(F)C=C;NJKCWWXWWHOYPB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227087;MM227087;C=CC(=O)CC(C)(F)C#N;XKJVWEZPRMZPOT-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227088;MM227088;C=CC(=C)CC(F)(F)C=C;WIMYGKBOWBTXJP-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227089;MM227089;C=CC(F)(F)CC(=C)C#N;GRMRCUUHYVLYDL-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227090;MM227090;C=C(C=O)CC(F)(F)C#N;RMDVEGOBGKZPOX-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227091;MM227091;C=CC(F)(F)CC(=O)C=O;WAVVIALYFKLFDJ-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227092;MM227092;N#CC(F)(F)CC(=O)C=O;HHFUAWRSHWDMOS-UHFFFAOYSA-N;147.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227093;MM227093;C=CC(=N)NC(C)(C)C=C;UVLDKNNYVYVONO-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227094;MM227094;C=CC(C)(C)N=C(N)C=O;YRGMPAYSXJPJPE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227095;MM227095;C#CCN1CC1C(C)(C)O;NJXURCSUNCNCGK-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227096;MM227096;CC(=O)N(N)C(CO)CO;MHDNZBCAFQKISE-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227097;MM227097;C=CC(C)(C)NC(=O)C=O;RDQYCFDLDBLCCA-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227098;MM227098;C=CC(C)(C)NC(=O)C#N;FXFHFWOWIHKJJR-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227099;MM227099;C=CC(=C)OC(C)(C)C=C;KEVZJYOXHGMMJR-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227100;MM227100;C=CC(C)(C)OC(=C)C=O;NGXFIJXEIXTXOB-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227101;MM227101;C=CC(C)(C)OC(=C)C#N;SJBQKZHVWHMHPZ-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227102;MM227102;C=CC(=C)OC(C)(C)C#N;XNLSCULSCSUZLG-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227103;MM227103;C=C(C#N)OC(C)(C)C=O;TUZJCQCDPXTBGG-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227104;MM227104;C=C(C#N)OC(C)(C)C#N;WEMMIEAEUBITHR-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227105;MM227105;C=CC(=O)OC(C)(C)C=C;PBDIMMDVZQTUEN-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227106;MM227106;C=CC(C)(C)OC(=O)C#N;RZOXRTJMFBXYSW-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227107;MM227107;C=CC(=O)OC(C)(C)C=O;NRHWJVXHFVVSTN-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227108;MM227108;C=CC(=O)OC(C)(C)C#N;IXOAAYBGVYCSBH-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227109;MM227109;C#CC(=C)CC(C)(C)C=C;KGBSQDKMTODLGF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227110;MM227110;C#CC(=C)CC(C)(C)C=O;QEHOAFXLSLSGER-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227111;MM227111;C#CC(=C)CC(C)(C)C#N;NSRVNNOGVLUJIK-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227112;MM227112;C#CC(=O)CC(C)(C)C=C;AXXPCEBEPFFYKD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227113;MM227113;C#CC(=O)CC(C)(C)C=O;PQWWIKCQEOKFLH-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227114;MM227114;C#CC(=O)CC(C)(C)C#N;YWLMHRDAVQXLAM-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227115;MM227115;C#CC(=C)CC(C)(N)C=C;WNCZOMHHJROTCQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227116;MM227116;CNC(=O)C1NC1(C)CO;YKWZAUQHUCWIBV-UHFFFAOYSA-N;144.17;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227117;MM227117;C#CC(=C)CC(C)(O)C=O;MKSJNGSGTVPLCD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227118;MM227118;C#CC(=C)CC(C)(O)C#N;KRUHJYSURCFPEM-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227119;MM227119;C#CC(=O)CC(C)(O)C=O;WPFHVHGDPUCMJN-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227120;MM227120;C#CC(=O)CC(C)(O)C#N;LKPQLSWHTPSCKU-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227121;MM227121;C#CC(=C)CC(C)(F)C=C;GFYSLLNFESDEGW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227122;MM227122;C#CC(=C)CC(C)(F)C#N;TXPGPDVORRBFOD-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227123;MM227123;C#CC(=O)CC(C)(F)C=C;RZRFZMMGHMOPBJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227124;MM227124;C#CC(=O)CC(C)(F)C#N;SNTVYBXGAGBLTG-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227125;MM227125;C#CC(=C)CC(F)(F)C=C;DAPSFGGQCDEPHJ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227126;MM227126;C#CC(=O)CC(F)(F)C#N;KFNFDDQJLPOIFC-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227127;MM227127;C#CC(=N)NC(C)(C)C=C;KUVSAVRPOMPMGM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227128;MM227128;C#CC(=O)NC(C)(C)C=C;NUOGTOHUSJKSPH-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227129;MM227129;C#CC(=C)OC(C)(C)C=C;WMLWLGYFEYOBOK-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227130;MM227130;C#CC(=C)OC(C)(C)C#N;WCBMDIKBVHPADC-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227131;MM227131;C#CC(=O)OC(C)(C)C=C;CEPALXSEKUNBOY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227132;MM227132;C#CC(=O)OC(C)(C)C=O;IETFNAIEPUPNCS-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227133;MM227133;C#CC(C)(C)CC(=C)CC;IFZCVIBCWUUXQL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227134;MM227134;C#CC(C)(C)CC(=C)CN;FRTGUHONOADAJR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227135;MM227135;C#CC(C)(C)CC(=C)CO;GADJROSZNKTNLT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227136;MM227136;C#CC(C)(C)CC(=C)CF;LKEXDJVSEXGEHC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227137;MM227137;C#CC(C)(C)CC(=O)CC;QFGCKXDYMFHAGV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227138;MM227138;C#CC(C)(C)CC(=O)CF;IDLRWIYGTZEFIQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227139;MM227139;C#CC(C)(N)CC(=C)CC;FMKRVFQGJHIUHI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227140;MM227140;C#CC(C)(N)CC(=C)CF;FYNUVJZFYQSTSR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227141;MM227141;C#CC(C)(O)CC(=C)CC;ZKRAKERZWIVUKX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227142;MM227142;C#CC(C)(O)CC(=C)CF;COCICHGGGZODOP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227143;MM227143;C#CC(C)(O)CC(=O)CO;YSSCQFSSUPEAEP-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227144;MM227144;C#CC(C)(O)CC(=O)CF;MOUYVAPXHVAWPV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227145;MM227145;C#CC(C)(F)CC(=C)CC;WTQWRAMAPHHYPP-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227146;MM227146;C#CC(C)(F)CC(=C)CF;SULQUWXAZSVKEE-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227147;MM227147;C#CC(C)(F)CC(=O)CC;NBGFBCGFINURCQ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227148;MM227148;C#CC(F)(F)CC(=C)CC;KTLTUQNBDQKRQP-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227149;MM227149;C#CC(F)(F)CC(=O)CO;UDXUVHURNADWOO-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227150;MM227150;C#CC(C)(C)CC(=N)NC;TZZCAOQLYHUTAX-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227151;MM227151;C#CC(C)(C)CC(=N)NN;BZNCZOFMUVAJOT-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227152;MM227152;C#CC(C)(C)CC(=O)NC;QRIFSAMCSSOTMO-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227153;MM227153;NC(CF)=NC(C=O)CO;LOAIHCGSOOAKRN-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227154;MM227154;C#CC(C)(N)CC(=N)NC;ODSPREFPACXSCC-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227155;MM227155;C#CC(C)(N)CC(=N)NO;ZEIGQHMOHCCSCJ-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227156;MM227156;C#CC(C)(O)CC(=N)NN;GYTCAIDBGHOALB-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227157;MM227157;C#CC(C)(O)CC(=N)NO;QKMBYTZLQBCKOY-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227158;MM227158;CC(CO)OC(CF)=NN;DPGDYVWQGDFLTH-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227159;MM227159;C#CC(C)(O)CC(=O)NO;WGCXYJAMXOJTNR-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227160;MM227160;C#CC(C)(F)CC(=O)NC;BGUDUSYZNZTYMG-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227161;MM227161;C#CC(F)(F)CC(=N)NC;OFAHOALOQDGKAW-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227162;MM227162;C#CC(C)(C)CC(=C)OC;IOKMARRVALTQQN-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227163;MM227163;C#CC(C)(C)CC(=O)OC;MCJAVWDCSODKHI-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227164;MM227164;C#CC(C)(N)CC(=C)OC;JSFRGFJJVZVNCR-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227165;MM227165;C#CC(C)(O)CC(=C)OC;FUBKVRFKSVQIOV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227166;MM227166;C#CC(C)(F)CC(=C)OC;SJAXNAUEBQSHJM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227167;MM227167;C#CC(C)(F)CC(=O)OC;GGAGPRXAHAMEEC-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227168;MM227168;C#CC(C)(C)NC(=N)CC;QTIXZPYOKSIWFU-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227169;MM227169;C#CC(C)(C)NC(=O)CC;QFZPUIIIYIUGGG-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227170;MM227170;C#CC(C)(C)NC(=O)CO;OXFSBEBEAKJEMQ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227171;MM227171;C#CC(C)(C)NC(=N)NN;ZYTOQMXWDHSXFH-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227172;MM227172;C#CC(C)(C)NC(=O)NC;XJMXDVDWLQHOCU-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227173;MM227173;C#CC(C)(C)OC(=C)CC;LNJLSEKONXIVGX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227174;MM227174;C#CC(C)(C)OC(=C)CN;RTIJIRRQIFBVBT-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227175;MM227175;C#CC(C)(C)OC(=C)CO;UEXNEQYRSRDTDO-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227176;MM227176;C#CC(C)(C)OC(=O)CC;PCPNAPFZRQQOPA-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227177;MM227177;C#CC(C)(C)OC(=O)CF;DWNCDGUIBNVKAN-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227178;MM227178;C#CC(C)(C)OC(=O)NC;ABYZWKHDWORWBA-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227179;MM227179;C#CC(C)(C)CC(=C)C=C;CKIMJFBADHIWFS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227180;MM227180;C#CC(C)(C)CC(=C)C=O;VCLNZTSICXIGPA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227181;MM227181;C#CC(C)(C)CC(=C)C#N;MSJBWLAQLHEGFE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227182;MM227182;C#CC(C)(C)CC(=O)C=C;QTMJCTCAGNBGLL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227183;MM227183;C#CC(C)(C)CC(=O)C=O;FCZRJZCOKOBCLB-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227184;MM227184;C#CC(C)(C)CC(=O)C#N;MSGUFWIDJGNUQA-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227185;MM227185;C#CC(C)(N)CC(=C)C=C;YBKKOIIYLCUHKI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227186;MM227186;C#CC(C)(O)CC(=C)C=C;JOQWNBZHMNUZNL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227187;MM227187;C#CC(C)(O)CC(=C)C#N;XAMYQNLAWPSJKL-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227188;MM227188;C#CC(C)(F)CC(=C)C=C;XZMBPBRBOZQUSM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227189;MM227189;C#CC(C)(F)CC(=C)C=O;NLEWBOIHJZXGPC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227190;MM227190;C#CC(C)(F)CC(=C)C#N;XLLSDOCIKMYMSP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227191;MM227191;C#CC(C)(F)CC(=O)C=C;ASSKCMCDZMUUTQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227192;MM227192;C#CC(C)(F)CC(=O)C#N;CRKMFLRVIAXGLM-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227193;MM227193;C#CC(F)(F)CC(=O)C#N;QIEJHQXUMIUNLQ-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227194;MM227194;C#CC(C)(C)NC(=N)C=C;MUZCYZSPTLQFOW-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227195;MM227195;C#CC(C)(C)N=C(N)C=O;QCBVLYUHBXQPHO-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227196;MM227196;C#CC(C)(C)NC(=O)C=C;HAQOOIUBDCZRPW-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227197;MM227197;C#CC(C)(C)NC(=O)C=O;WNORTMDDGCFQLQ-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227198;MM227198;C#CC(C)(C)NC(=O)C#N;UVOPTTLWORVANI-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227199;MM227199;C#CC(C)(C)OC(=C)C=C;QVWZYRPXZDGNJC-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227200;MM227200;C#CC(C)(C)OC(=C)C=O;XVJJQGSXCCKNHH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227201;MM227201;C#CC(C)(C)OC(=C)C#N;CNCNNCKSRSVQSJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227202;MM227202;C#CC(C)(C)OC(=O)C=C;BJGSTDIAJBHLON-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227203;MM227203;C#CC(C)(C)OC(=O)C#N;MDHBNNIEGFCYJN-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227204;MM227204;C#CC(=C)CC(C)(C)C#C;ZOIYYZSUGKTKAC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227205;MM227205;C#CC(=O)CC(C)(C)C#C;HOJRCRVXBJRKEW-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227206;MM227206;C#CC(=C)CC(C)(N)C#C;LYSAJVDVTJZGHE-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227207;MM227207;C#CC(=C)CC(C)(O)C#C;RTWRQQBZJWDEMZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227208;MM227208;C#CC(=C)CC(C)(F)C#C;CAWLZSLEGHNRNZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227209;MM227209;C#CC(=C)CC(F)(F)C#C;BPJSDKDSIMYXLN-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227210;MM227210;C#CC(=O)CC(F)(F)C#C;IDQGCKIKPACILR-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227211;MM227211;C#CC(=N)NC(C)(C)C#C;WRIDYBPPZLXECT-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227212;MM227212;C#CC(=O)NC(C)(C)C#C;JDJIOBVMPQMZLW-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227213;MM227213;C#CC(=C)OC(C)(C)C#C;OIFDRLNTBLBDFO-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227214;MM227214;C#CC(=O)OC(C)(C)C#C;RUSCQNYECXDNQW-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227215;MM227215;CC=C(C)CC(C)(C)CC;DCHMHNYBYHOYQC-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227216;MM227216;CCC(C)(C)CC(C)=CF;ARXYDBIJCWIORE-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227217;MM227217;CC(=CF)CC(C)(C)CN;OZMZRKQOGZGOJW-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227218;MM227218;CC(CO)OC(C#N)=CN;DRLKHNZYNLQJJX-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227219;MM227219;CC=C(C)CC(C)(C)CF;METBOVOCWQIWDZ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227220;MM227220;CC(=CF)CC(C)(C)CF;YQZFVLARITUQPF-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227221;MM227221;CC=C(F)CC(C)(C)CC;KYXYYUSATRLQQU-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227222;MM227222;CCC(C)(C)CC(F)=CF;DRALEKMLZGQHAF-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227223;MM227223;CC=C(F)CC(C)(C)CN;UHJVMIOVXAJPEG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227224;MM227224;CC(C)(CN)CC(F)=CF;OHNUZSLLLHMDIY-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227225;MM227225;CC=C(F)CC(C)(C)CO;XMWRMEQCVRIIGD-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227226;MM227226;CC(C)(CO)CC(F)=CF;IZFKEJBAJQHOLA-UHFFFAOYSA-N;150.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227227;MM227227;CC=C(F)CC(C)(C)CF;XPFYBOBCKJXWJO-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227228;MM227228;CC=C(C)CC(C)(N)CC;TWAFWUZOWBJLNZ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227229;MM227229;CCC(C)(N)CC(C)=CF;CJVJTUDGWGGNKO-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227230;MM227230;CC=C(C)CC(C)(N)CN;BYVBNLUUSDXJOI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227231;MM227231;CC=C(C)CC(C)(N)CF;GKLJYQASTQUSMI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227232;MM227232;CC(=CF)CC(C)(N)CF;CPQZSPKLSLVOJN-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227233;MM227233;CC=C(F)CC(C)(N)CC;MJRRLESLHTVXJQ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227234;MM227234;CCC(C)(N)CC(F)=CF;LLUHLCISYHPPAB-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227235;MM227235;CC=C(F)CC(C)(N)CN;YQRPQRPFRCFTFW-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227236;MM227236;CC(N)(CN)CC(F)=CF;PSSHLDRXQCYOPG-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227237;MM227237;CC=C(F)CC(C)(N)CF;LGQSQIFKWXQAMQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227238;MM227238;CC(N)(CF)CC(F)=CF;VRYFDGUMPWCNBF-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227239;MM227239;CNC(=NC(=N)C#N)NO;HANNHQCCAAHDPZ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227240;MM227240;CCC(C)(O)CC(C)=CF;IRZZSCIUZZKJSK-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227241;MM227241;CC(=CF)CC(C)(O)CO;NXEDJDVRTYQRPZ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227242;MM227242;CC(=CF)CC(C)(O)CF;OIJNGIANYZRQBC-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227243;MM227243;CC=C(F)CC(C)(O)CC;LFKYNVXSOJMERQ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227244;MM227244;CCC(C)(O)CC(F)=CF;CVDQHVMYFUYSDR-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227245;MM227245;CC=C(F)CC(C)(O)CO;KOZJCOBQSDHKME-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227246;MM227246;CC=C(F)CC(C)(O)CF;WJBFBNNQONHBJW-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227247;MM227247;CC=C(C)CC(C)(F)CC;VEFZQHAOXJEEFT-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227248;MM227248;CCC(C)(F)CC(C)=CF;QPXGBLFUVDWVBW-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227249;MM227249;CC(=CF)CC(C)(F)CN;RMKZYSKRHJESKM-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227250;MM227250;CC=C(C)CC(C)(F)CO;KLBFOFOWEDPENK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227251;MM227251;CC(=CF)CC(C)(F)CF;FGZZKKPWENNOJY-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227252;MM227252;CC=C(F)CC(C)(F)CC;OJMGKYUKZJWTGI-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227253;MM227253;CCC(C)(F)CC(F)=CF;KDJDPFZVWXQYOJ-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227254;MM227254;CC=C(F)CC(C)(F)CN;JGEWXJAXMXLFSU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227255;MM227255;CC(F)(CN)CC(F)=CF;FZOUXNTZALGGSS-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227256;MM227256;CC=C(F)CC(C)(F)CO;VYTPJDCVNGTNKX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227257;MM227257;CC=C(C)CC(F)(F)CC;SNSPEPSUGHTRRT-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227258;MM227258;CCC(F)(F)CC(C)=CF;QKXZQWGTKGCKRL-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227259;MM227259;CC=C(C)CC(F)(F)CO;PHBHMCXOFAASBS-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227260;MM227260;CC=C(C)CC(F)(F)CF;LRUWXWDGUPNEOB-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227261;MM227261;CC=C(F)CC(F)(F)CC;XSYWORBKRVBUCQ-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227262;MM227262;CCC(F)(F)CC(F)=CF;GROSXCVJWWWFEK-UHFFFAOYSA-N;156.12;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227263;MM227263;CCC(C)(C)CC(C)=NN;AIGNTRPEEXFHAE-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227264;MM227264;C=CC1(CO)NC1C(F)F;RUKXHGZOUJBQFW-UHFFFAOYSA-N;149.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227265;MM227265;CC(CC(C)(C)CN)=NO;NZBQEYYMCSSTGZ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227266;MM227266;C=CC1(CO)NC1C(=C)C;KPEJISWPJSOOLI-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227267;MM227267;CC(CC(C)(C)CO)=NO;XXLTVVLZWZQNBA-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227268;MM227268;CC(CC(C)(C)CF)=NN;YICCQJRDYRDNLF-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227269;MM227269;CC(CC(C)(C)CF)=NO;LDKIYSFWKZJWSV-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227270;MM227270;CCC(C)(N)CC(C)=NO;RIIVBYASUDXHAQ-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227271;MM227271;CC(CC(C)(N)CN)=NO;PRNBCTVCAWFFFH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227272;MM227272;CC(CC(C)(N)CO)=NO;IRZPXZZJTMOMBA-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227273;MM227273;C=CC1(CO)NC1C(=C)F;CIQRKKJMSJOEJF-UHFFFAOYSA-N;143.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227274;MM227274;CCC(C)(O)CC(C)=NO;FWUUKDTVBZJWTH-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227275;MM227275;C#CC1(CO)C=NN(C)C1;ABZNZCBXWJJKNR-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227276;MM227276;CC(CC(C)(O)CO)=NO;XTXIEFRLGDMJMO-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227277;MM227277;CCC(C)(F)CC(C)=NO;HJTSEMBWUGYSSS-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227278;MM227278;CC(CC(C)(F)CF)=NN;JIYNTLDHYOZGDY-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227279;MM227279;CC(CC(C)(F)CF)=NO;DIOOMINETWLPAE-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227280;MM227280;CCC(F)(F)CC(C)=NN;RYBSVLRJWCBMNR-UHFFFAOYSA-N;150.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227281;MM227281;CCC(F)(F)CC(C)=NO;AJZWUKPPVLBIAU-UHFFFAOYSA-N;151.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227282;MM227282;CC(CC(F)(F)CF)=NN;DEGOHZMPXMUODM-UHFFFAOYSA-N;154.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227283;MM227283;CC=C(C)CC(C)(C)NC;HWPZBLZEJWDXGE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227284;MM227284;CNC(C)(C)CC(C)=CF;SAEBFHIZMRVDAE-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227285;MM227285;CC=C(F)CC(C)(C)NC;XPTMLBASPJKTPT-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227286;MM227286;CNC(C)(C)CC(F)=CF;HNZIMHKRWWROHL-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227287;MM227287;CC=C(C)CC(C)(C)OC;AENCSQVWENVRAM-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227288;MM227288;CC=C(F)CC(C)(C)OC;BKJODSDBLFFMGK-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227289;MM227289;COC(C)(C)CC(C)=NN;OVIRCVWLAGOOEA-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227290;MM227290;COC(C)(C)CC(C)=NO;XVHQEFBCXJXORP-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227291;MM227291;CCC(C)(C)N=C(C)NC;HWPRLZYKVWPGCX-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227292;MM227292;CCC(C)(C)N=C(C)NN;KEHZIIRCVDTIMG-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227293;MM227293;CCC(C)(C)N=C(C)NO;BYYSZOSYEGWHPW-UHFFFAOYSA-N;144.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227294;MM227294;CC(=NN)NC(C)(C)CO;GHEZXBRXFWBSHJ-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227295;MM227295;CC(=NN)NC(C)(C)CF;POFXNCLTYHPRNW-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227296;MM227296;CC=C(C)OC(C)(C)CC;IOPDSWHKVFFSHD-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227297;MM227297;CCC(C)(C)OC(C)=CF;RMBHQIPPWQVIIX-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227298;MM227298;CC=C(C)OC(C)(C)CN;TYNDTDRJBUSLMI-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227299;MM227299;CC(=CF)OC(C)(C)CN;UDNGBVRRKZVDMD-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227300;MM227300;CC(=CF)OC(C)(C)CO;FWDZXCBSSSEPQA-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227301;MM227301;CC=C(C)OC(C)(C)CF;QUQAGKBCORQHNK-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227302;MM227302;CC(C)OCC1(CO)CN1;JSMVDQMLHCUDKB-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227303;MM227303;CCC(C)(C)OC(C)=NO;WINOSKSSALEZQE-UHFFFAOYSA-N;145.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227304;MM227304;CC(=O)NCC1(CO)CN1;VDVOWSZDZXYNGG-UHFFFAOYSA-N;144.17;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227305;MM227305;CC(=NO)OC(C)(C)CF;UUISOMGABVYXKN-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227306;MM227306;C=CC(C)(C)CC(C)=CC;LYSNVLBVPTUPMT-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227307;MM227307;C=CC(C)(C)CC(C)=CF;FJMOIOWMCPTGBW-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227308;MM227308;CC=C(C)CC(C)(C)C=O;DBUIVWFWEGWZMN-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227309;MM227309;CC=C(C)CC(C)(C)C#N;YVQLLLMDUGSNDW-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227310;MM227310;CC(=CF)CC(C)(C)C=O;HXVTTZVAXMTBNU-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227311;MM227311;CC(=CF)CC(C)(C)C#N;ZTAXJGUWRPCJKT-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227312;MM227312;C=CC(C)(C)CC(F)=CC;JDURNZBVKCIUOB-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227313;MM227313;C=CC(C)(C)CC(F)=CF;WNIWPHGYRVIMDM-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227314;MM227314;CC=C(F)CC(C)(C)C=O;WROIMOKWVLFPFK-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227315;MM227315;CC=C(F)CC(C)(C)C#N;MMDIJWUQOHHEMG-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227316;MM227316;CC(C)(C=O)CC(F)=CF;BTLJVZGRDDNTCV-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227317;MM227317;CC(C)(C#N)CC(F)=CF;WCWNGUOZQRKZJB-UHFFFAOYSA-N;145.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227318;MM227318;C=CC(C)(N)CC(C)=CC;FCADHIGQVOQCPE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227319;MM227319;C=CC(C)(N)CC(C)=CF;FOCNNDXDKFNCCA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227320;MM227320;C=CC(C)(N)CC(F)=CC;SPSYZLLKOUKURC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227321;MM227321;C=CC(C)(N)CC(F)=CF;NTBQGAUTDZOJSP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227322;MM227322;C=C(C)OCC1(CO)CN1;HIDURXVTYVKRLN-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227323;MM227323;C=CC(C)(O)CC(C)=CF;GYSJECDJHCQTTJ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227324;MM227324;CC=C(C)CC(C)(O)C#N;FKDBNKIEIGMBRG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227325;MM227325;C=CC(C)(O)CC(F)=CC;DJEXFHKETMYFEU-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227326;MM227326;C=CC(C)(O)CC(F)=CF;JCKSBJLCJWOGHK-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227327;MM227327;CC=C(F)CC(C)(O)C#N;ZHUHADFCGXHSHZ-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227328;MM227328;CC(O)(C#N)CC(F)=CF;ZQKWHWUJHQMKSR-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227329;MM227329;C=CC(C)(F)CC(C)=CC;OSLHRZYBFVSNTL-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227330;MM227330;C=CC(C)(F)CC(C)=CF;RZTQCFXKGACEPJ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227331;MM227331;CC=C(C)CC(C)(F)C=O;OAOSTMPXFCCCDI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227332;MM227332;CC=C(C)CC(C)(F)C#N;FIMKVCQJEFEPTN-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227333;MM227333;CC(=CF)CC(C)(F)C#N;NOGOUAMJGOXIJU-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227334;MM227334;C=CC(C)(F)CC(F)=CC;STOQTKAAAJXCTF-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227335;MM227335;CC=C(F)CC(C)(F)C=O;WSVHABISBPBTBS-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227336;MM227336;CC=C(F)CC(C)(F)C#N;XXJSDUCTLFJNDQ-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227337;MM227337;N#CC(F)(F)CC(F)=CF;HBXSEYCZFWWXSA-UHFFFAOYSA-N;153.08;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227338;MM227338;C=CC(C)(C)CC(C)=NN;MEAFEXAAOSXXNP-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227339;MM227339;C=CC(C)(C)CC(C)=NO;HQEVAPFHPBPHKF-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227340;MM227340;CC(CC(C)(C)C=O)=NO;VILYRODALZFZRC-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227341;MM227341;CC(CC(C)(C)C#N)=NO;KYXJWEAYZQNVNX-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227342;MM227342;CC(=O)OCC1(CO)CN1;NMXZNWYQHPCIQX-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227343;MM227343;C=CC(C)(O)CC(C)=NO;IDACCFWRMZCDTL-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227344;MM227344;CC(CC(C)(O)C#N)=NO;CESNGYUPNXSARC-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227345;MM227345;C=CC(C)(F)CC(C)=NN;FAHLFXXCJXBCHQ-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227346;MM227346;C=CC(C)(F)CC(C)=NO;FOCZEFLWVLSFAM-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227347;MM227347;C=CC(C)(C)NC(C)=NC;CBERWCSTRZLRPY-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227348;MM227348;C=CC(C)(C)NC(C)=NN;KUTPBZSPZSJRJL-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227349;MM227349;C#CCNC(=O)N(N)CC;XYHOTHBUZKHAOM-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227350;MM227350;C=CC(C)(C)OC(C)=CC;IQFAVSWBGZGEDZ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227351;MM227351;C=CC(C)(C)OC(C)=CF;JVJNZSMBSYSOCU-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227352;MM227352;CC=C(C)OC(C)(C)C#N;DKUCDMJFFBMBFJ-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227353;MM227353;CC(=CF)OC(C)(C)C#N;GXSGYCJPFBBPEP-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227354;MM227354;C#CCNC(=O)N(C)NC;ZTTKJETTZCRQEE-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227355;MM227355;C=CC(C)(C)OC(C)=NO;BQHNDMZZGIEYIO-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227356;MM227356;C#CC(C)(C)CC(C)=CC;YGRKKJMWOCBDSG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227357;MM227357;C#CC(C)(C)CC(C)=CF;UTWMJBFXSBOMQN-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227358;MM227358;C#CC(C)(C)CC(F)=CC;IHTNOLPWCKDVSH-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227359;MM227359;C#CC(C)(C)CC(F)=CF;LUSSONPBYSCNFI-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227360;MM227360;C#CC(C)(N)CC(C)=CC;RZICRKCWMJQQQJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227361;MM227361;C#CC(C)(N)CC(C)=CF;HBVCFLWQSKAYGM-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227362;MM227362;C#CC(C)(N)CC(F)=CC;NEAJYQFFYHTUKM-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227363;MM227363;C#CC(C)(N)CC(F)=CF;LYNWVZWSIOZMIW-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227364;MM227364;C#CC(C)(O)CC(C)=CC;SFAZZTFBKUZZTA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227365;MM227365;C#CC(C)(O)CC(C)=CF;ZBIWOAHBCRGOIO-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227366;MM227366;C#CC(C)(O)CC(F)=CC;YHGVZPHHOLVIQC-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227367;MM227367;C#CC(C)(O)CC(F)=CF;NHYWHKYMRTUKCA-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227368;MM227368;C#CC(C)(F)CC(C)=CC;KCNAZACRAZAFCL-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227369;MM227369;C#CC(C)(F)CC(C)=CF;GNURQZXUJXJLMY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227370;MM227370;C#CC(C)(F)CC(F)=CC;JSPPGSAWPWXOSA-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227371;MM227371;C#CC(C)(C)CC(C)=NN;OISIWARHJFUDAX-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227372;MM227372;C#CC(C)(C)CC(C)=NO;JHDQRCNQMDWXTK-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227373;MM227373;C#CC(C)(C)NC(C)=NC;JIMBXSRTNYVDEP-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227374;MM227374;C=CN(N)C(=O)NCCF;CNAZDNLIVHFNJK-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227375;MM227375;C#CC(C)(C)OC(C)=CC;WYLIMBPZNSAPPU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227376;MM227376;C#CC(C)(C)OC(C)=CF;YZCCLHHILSZERY-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227377;MM227377;CCN(N)C(=NOC)NO;LACUCNCNFIOWNY-UHFFFAOYSA-N;148.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227378;MM227378;C#CC(C)(C)OC(C)=NO;FHKDJFUJLLSAPZ-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227379;MM227379;CCC(C)=CC(C)(C)CC;LREOTMWEDRBPMG-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227380;MM227380;CCC(C)(C)C=C(C)CN;YFNFZHRATASBSA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227381;MM227381;CCC(C)(C)C=C(C)CO;VGLIKWUPTQKOLM-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227382;MM227382;CCC(C)(C)C=C(C)CF;KXPGNXQQMNEYOQ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227383;MM227383;CCC(C)=CC(C)(C)CN;JIHMWGFROIMACS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227384;MM227384;CC(=CC(C)(C)CN)CF;HPVQOOHVDROXMU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227385;MM227385;C=NN(C(N)=O)C(=O)CC;RGNNDGIWKSMGGT-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227386;MM227386;CC(=CC(C)(C)CO)CN;UVIJAQMRYQQQLV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227387;MM227387;CNN(C=O)C(CO)CO;JKDQZIPXBHWUDP-UHFFFAOYSA-N;148.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227388;MM227388;CCC(C)=CC(C)(C)CF;GNUQGMQWTOPSQR-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227389;MM227389;CC(=CC(C)(C)CF)CN;XWFCSYMHZIWQFT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227390;MM227390;CC(=CC(C)(C)CF)CF;UJBWCXWTHJNMQS-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227391;MM227391;CCC(F)=CC(C)(C)CC;ICNSPHOSZBDLPK-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227392;MM227392;CCC(F)=CC(C)(C)CN;UNPSFLZMEGVPNI-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227393;MM227393;CC(C)(C=C(F)CF)CN;FVTIQYORNQAMJN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227394;MM227394;CC(C)(C=C(F)CO)CO;MDFBBRJWBXHOTA-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227395;MM227395;CC(C)(C=C(F)CF)CO;RJEDIFSKAVTHCN-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227396;MM227396;CC(C)(C=C(F)CO)CF;YJPDAWLARISRGI-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227397;MM227397;CCC(C)=CC(C)(N)CC;XKDLJHMIPQLLJB-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227398;MM227398;CCC(C)(N)C=C(C)CO;UULFYMKVHJPNLA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227399;MM227399;CCC(C)(N)C=C(C)CF;KFPJLFJBFGEZQT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227400;MM227400;CC(=CC(C)(N)CN)CN;QIRCZORQSHUMKG-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227401;MM227401;CC(=CC(C)(N)CN)CF;SPPXPCISKXXPNK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227402;MM227402;CC(=CC(C)(N)CF)CF;ZYXZTVUNBAJXCQ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227403;MM227403;CCC(F)=CC(C)(N)CC;FMIFOLSWYYQTMY-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227404;MM227404;CCC(C)(N)C=C(F)CO;RYADCFWKTQUOIC-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227405;MM227405;CCC(C)(N)C=C(F)CF;JRJIKBMCCNGJGA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227406;MM227406;CCC(F)=CC(C)(N)CN;IIARKQRBZQANDK-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227407;MM227407;CC(N)(C=C(F)CO)CN;UCNKAGSHBQEYHF-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227408;MM227408;CC(N)(C=C(F)CF)CN;CEHRSTIGPNHZRG-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227409;MM227409;CC(N)(C=C(F)CN)CO;VYGDHLCWUDYIKO-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227410;MM227410;CCC(F)=CC(C)(N)CF;YTJWDVABUZVEMA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227411;MM227411;CC(N)(C=C(F)CF)CF;YRTZUXQUTKWJLU-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227412;MM227412;CNN=CCC(CO)OC;HLZVZNFNBUIELI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227413;MM227413;CCC(C)(O)C=C(C)CN;XICVILSEOOOKKH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227414;MM227414;CCC(C)(O)C=C(C)CO;XELNMPLUSBQDBH-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227415;MM227415;CCC(C)(O)C=C(C)CF;WYFVXKVJSWYQEC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227416;MM227416;CC(=CC(C)(O)CN)CF;OPIUHENFTXWALS-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227417;MM227417;CCC(C)=CC(C)(O)CO;KEGAUAWGUIWVKI-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227418;MM227418;CC(=CC(C)(O)CO)CF;QMFBGVPSJBFHMN-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227419;MM227419;CCC(C)=CC(C)(O)CF;LLRQIFYCIBPPJR-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227420;MM227420;CC(=CC(C)(O)CF)CF;JHTGSXBCPUEGLA-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227421;MM227421;CCC(F)=CC(C)(O)CC;GCARMTAMIYYXAK-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227422;MM227422;CCC(C)(O)C=C(F)CO;JJRVQUQMBGCNHU-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227423;MM227423;CCC(C)(O)C=C(F)CF;RTVDPYRTSQDDON-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227424;MM227424;CC(O)(C=C(F)CN)CN;WRUBUZQDJJKHHV-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227425;MM227425;CC(O)(C=C(F)CF)CN;FJIBDKNCCDPPRE-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227426;MM227426;CCC(F)=CC(C)(O)CO;GNKNUARJCAZEEA-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227427;MM227427;CCC(F)=CC(C)(O)CF;KMBQHCPOLYZLBS-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227428;MM227428;CC(O)(C=C(F)CF)CF;NYBUBRJYNGECKL-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227429;MM227429;CCC(C)=CC(C)(F)CC;SGZZSNQWEGEOQO-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227430;MM227430;CCC(C)(F)C=C(C)CF;NDTQIHQERMKZST-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227431;MM227431;CCC(C)=CC(C)(F)CN;XLJFGURZADXKQL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227432;MM227432;CC(=CC(C)(F)CN)CN;QXWYNNMZBHPXDW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227433;MM227433;CC(=CC(C)(F)CN)CF;XXHBVXXGYJLQBF-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227434;MM227434;CCC(C)=CC(C)(F)CO;KKZSFMHBSXQEBH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227435;MM227435;CC(=CC(C)(F)CO)CO;KHUIYQFFNXBRLI-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227436;MM227436;CCC(C)=CC(C)(F)CF;CQJXXWCVGCLNGI-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227437;MM227437;CC(=CC(C)(F)CF)CN;QEKHVQSWTOQERT-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227438;MM227438;CC(=CC(C)(F)CF)CO;NBBJMHWTHQMGSB-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227439;MM227439;CC(=CC(C)(F)CF)CF;XUHMMVDKASKXMX-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227440;MM227440;CCC(F)=CC(C)(F)CC;ZWOBVMNFRDQYEW-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227441;MM227441;CCC(F)=CC(C)(F)CN;JGXJTUOXRPILED-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227442;MM227442;CC(F)(C=C(F)CN)CN;KZJGMGWCRKQTRJ-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227443;MM227443;CC(F)(C=C(F)CO)CO;WCGFNLJSNQHPAG-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227444;MM227444;CC(F)(C=C(F)CO)CF;UPQLOCVJQQDCDB-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227445;MM227445;CCC(F)(F)C=C(C)CN;ULWPAUQXTIMXRM-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227446;MM227446;CC(=CC(F)(F)CN)CN;AODLXTAONPMNJM-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227447;MM227447;CC(=CC(F)(F)CF)CN;LJHWLRDBWJFIEJ-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227448;MM227448;CC(=CC(F)(F)CF)CF;WEQRRAGSVDNDCG-UHFFFAOYSA-N;156.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227449;MM227449;CCC(C)(C)C=C(C)OC;GDEGIZOMHURVTE-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227450;MM227450;COC(C)=CC(C)(C)CN;HUIGNZSXPFBZID-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227451;MM227451;COC(C)=CC(C)(C)CO;LHUNWIJJQHSLOW-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227452;MM227452;CCC(C)(N)C=C(C)OC;SJQBONPAFOAVHQ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227453;MM227453;COC(C)=CC(C)(N)CN;QCLBGVVCIQEMTH-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227454;MM227454;COC(C)=CC(C)(N)CF;AKQTZJUDXLEDAU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227455;MM227455;CCC(C)(O)C=C(C)OC;VVXOAMACRYDUOB-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227456;MM227456;CCC(C)(F)C=C(C)OC;XMYGMMYQCPAASV-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227457;MM227457;COC(C)=CC(C)(F)CN;LNQYZXCFIISFDS-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227458;MM227458;COC(C)=CC(F)(F)CO;MXTYOXNYVTYWOD-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227459;MM227459;CCC(C)=CC(C)(C)NC;RTXISDKFMMYJMV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227460;MM227460;CNC(C)(C)C=C(C)CO;FAFUQKGHAZQSBN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227461;MM227461;CCC(F)=CC(C)(C)NC;FYRPZAJHRWUXMF-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227462;MM227462;CNC(C)(C)C=C(F)CF;JYVMUJCQNFGELL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227463;MM227463;CNC(C)(C)C=C(C)OC;GQLSORRYOXFNOB-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227464;MM227464;CCC(C)=CC(C)(C)OC;JGWXZNNSTHXEGA-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227465;MM227465;COC(C)(C)C=C(C)CN;BMKPFOGWLSECIS-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227466;MM227466;COC(C)(C)C=C(C)CO;ABFHQZKBPZDISE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227467;MM227467;COC(C)(C)C=C(C)CF;IVIIHGGQYOWFPH-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227468;MM227468;CCC(F)=CC(C)(C)OC;OKFBTZKRAUFMNK-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227469;MM227469;COC(C)(C)C=C(F)CO;MUMFQIXSLIJULH-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227470;MM227470;COC(C)=CC(C)(C)OC;JFQBKSMBYNXPKB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227471;MM227471;C=CC(C)=CC(C)(C)CC;ZSGVXRHPUYCKNT-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227472;MM227472;CCC(C)(C)C=C(C)C=O;ZAJPAXBSKBVHAY-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227473;MM227473;CCC(C)(C)C=C(C)C#N;DKSBQFWBRQIPBD-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227474;MM227474;C=CC(C)=CC(C)(C)CN;RMZMJXHSQCJNMI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227475;MM227475;CCCOCC1(CO)CN1;UWMLABSEUNBKMD-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227476;MM227476;COCOCC1(CO)CN1;URGQPAPGASFUPE-UHFFFAOYSA-N;147.17;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227477;MM227477;C=CC(C)=CC(C)(C)CF;AJVYWTPDOVKMQT-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227478;MM227478;CC(C=O)=CC(C)(C)CF;RJMIDQHRSFVXFH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227479;MM227479;CC(C#N)=CC(C)(C)CF;PYBYCTQBZAPFDC-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227480;MM227480;C=CC(F)=CC(C)(C)CC;IEZCKZIRKOORGY-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227481;MM227481;CCC(C)(C)C=C(F)C=O;UJASBYBUMYKVAW-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227482;MM227482;CCC(C)(C)C=C(F)C#N;HWYGXQHIDXNYDP-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227483;MM227483;C=CC(F)=CC(C)(C)CN;XKAVDVQCVKDEEK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227484;MM227484;C=CC(F)=CC(C)(C)CO;STUNRMPLKWODSL-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227485;MM227485;CC(C)(C=C(F)C=O)CO;VMXQBUPFCWLPHZ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227486;MM227486;CC(C)(C=C(F)C#N)CO;BLNWQXQIINCFFI-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227487;MM227487;CC(C)(C=C(F)C#N)CF;RCWURIRMHBYHCD-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227488;MM227488;C=CC(C)=CC(C)(N)CC;JWBDKHKPIHDJRZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227489;MM227489;C=CC(C)=CC(C)(N)CF;UWFSWZCVSVYVPO-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227490;MM227490;C=CC(F)=CC(C)(N)CC;FGRLGXJEGULEPM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227491;MM227491;C=CC(F)=CC(C)(N)CN;AJUFCKGVZHMPGK-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227492;MM227492;C=CC(F)=CC(C)(N)CO;ZOGAMLOEGLEPSQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227493;MM227493;C=CCOCC1(CO)CN1;KZDYGRYMWRSCOU-UHFFFAOYSA-N;143.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227494;MM227494;CCC(C)(O)C=C(C)C=O;GMEFPMKOIZXOAR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227495;MM227495;CCC(C)(O)C=C(C)C#N;RXCSYPSKHCZXLD-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227496;MM227496;C=CC(C)=CC(C)(O)CO;RDKWTOSWGAUCEM-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227497;MM227497;C=CC(C)=CC(C)(O)CF;CCBTWRPWXRJAKX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227498;MM227498;CC(C#N)=CC(C)(O)CF;QKEBKZCBZZICPS-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227499;MM227499;C=CC(F)=CC(C)(O)CC;BWZPGTSYNDJJRF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227500;MM227500;CCC(C)(O)C=C(F)C=O;ONQZPHCHSLBRHW-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227501;MM227501;CCC(C)(O)C=C(F)C#N;WDVKHRVLGBAHIA-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227502;MM227502;CC(O)(C=C(F)C#N)CO;JMFNKPIMUTYRLM-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227503;MM227503;C=CC(F)=CC(C)(O)CF;PVVYLCJAVICMQO-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227504;MM227504;C=CC(C)=CC(C)(F)CC;SVCBPCIFQBGFCI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227505;MM227505;CCC(C)(F)C=C(C)C=O;WLYKVXKLJPBZBN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227506;MM227506;CCC(C)(F)C=C(C)C#N;VATHQRAVUWHXDL-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227507;MM227507;C=CC(C)=CC(C)(F)CN;AVTKBPDQKFTRCX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227508;MM227508;C=CC(C)=CC(C)(F)CO;AZJOSUQGYWRPQU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227509;MM227509;CC(C=O)=CC(C)(F)CO;DUIHAVOEDXBZRI-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227510;MM227510;C=CC(C)=CC(C)(F)CF;UKIIXODBKVCIEP-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227511;MM227511;CC(C=O)=CC(C)(F)CF;QFOVOKHVGOWZKZ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227512;MM227512;CC(C#N)=CC(C)(F)CF;BLWBGIFETNMZNP-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227513;MM227513;C=CC(F)=CC(C)(F)CC;HNFAESKIYUTYER-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227514;MM227514;CCC(C)(F)C=C(F)C=O;AYEVLEDVXPLCTD-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227515;MM227515;CCC(C)(F)C=C(F)C#N;QIBLMGPAUMQIRO-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227516;MM227516;C=CC(F)=CC(C)(F)CN;WXMUVIDBRRKLTE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227517;MM227517;C=CC(F)=CC(C)(F)CO;XOKRENRENBJKDL-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227518;MM227518;CCC(F)(F)C=C(C)C=O;COUZRUUPLVVUPG-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227519;MM227519;CC(C=O)=CC(F)(F)CF;ZFRYASKRRYHCMV-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227520;MM227520;N#CC(F)=CC(F)(F)CO;CXZYJQFRRHOMLI-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227521;MM227521;C=CC(C)=CC(C)(C)NC;GNCXXJCUYCLURD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227522;MM227522;CNC(C)(C)C=C(C)C=O;XHQGLPYMMPFVON-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227523;MM227523;CNC(C)(C)C=C(C)C#N;KKEFSTZTQVGTBN-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227524;MM227524;C=CC(F)=CC(C)(C)NC;ZJVKYCSJIMCLAN-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227525;MM227525;CNC(C)(C)C=C(F)C=O;DSLVRQLMEUJRIG-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227526;MM227526;C=CC(C)=CC(C)(C)OC;YDWIDDWIBOYRRF-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227527;MM227527;COC(C)(C)C=C(C)C=O;ZFWVIDUJJFRQMR-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227528;MM227528;COC(C)(C)C=C(C)C#N;IGIDGVSPOYOTIB-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227529;MM227529;C=CC(F)=CC(C)(C)OC;HXKWMTGFPOERCM-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227530;MM227530;COC(C)(C)C=C(F)C=O;GMYABFMWKOFIGI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227531;MM227531;COC(C)(C)C=C(F)C#N;AJGHKDJTHVGLFK-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227532;MM227532;C#CC(C)=CC(C)(C)CC;DTFJVERMRPBPOF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227533;MM227533;C#CC(C)=CC(C)(C)CN;JZYOZWUWIZQUPJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227534;MM227534;N#CCOCC1(CO)CN1;OBOVIIFVVOYOEW-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227535;MM227535;C#CC(C)=CC(C)(C)CF;FNJZPOPLWVSRCG-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227536;MM227536;C#CC(F)=CC(C)(C)CC;MNIMNKRBMVOEQG-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227537;MM227537;C#CC(F)=CC(C)(C)CN;OKLVKHJXXSWZAH-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227538;MM227538;C#CC(F)=CC(C)(C)CO;IKUUFOZEHVPQOR-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227539;MM227539;C#CC(C)=CC(C)(N)CC;SQEGRKOXJXWSNP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227540;MM227540;C#CC(C)=CC(C)(N)CF;KZEKCABAPYYJDH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227541;MM227541;C#CC(F)=CC(C)(N)CC;SSTUVZZOOABDOO-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227542;MM227542;C#CC(F)=CC(C)(N)CN;JVKOTKHGOAGLGB-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227543;MM227543;C#CC(F)=CC(C)(N)CO;QKOMDLJUHKGDFL-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227544;MM227544;C#CCOCC1(CO)CN1;TUPFPLFYRNJZDN-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227545;MM227545;C#CC(C)=CC(C)(O)CO;ZERBZNWBLKIAFY-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227546;MM227546;C#CC(C)=CC(C)(O)CF;LVWZQGXRCOUSJE-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227547;MM227547;C#CC(F)=CC(C)(O)CC;AVRDGZZMTWRXPU-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227548;MM227548;C#CC(F)=CC(C)(O)CN;ZESJFVINTCPYDY-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227549;MM227549;C#CC(F)=CC(C)(O)CF;CGUVMHFKJPDEGV-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227550;MM227550;C#CC(C)=CC(C)(F)CC;IQNQTCQWRCLMMH-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227551;MM227551;C#CC(C)=CC(C)(F)CN;YDYBFQHXFUDLSX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227552;MM227552;C#CC(C)=CC(C)(F)CO;VIDHMMKECZRQPR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227553;MM227553;C#CC(F)=CC(C)(F)CC;MWJZSEDFBLGUAB-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227554;MM227554;C#CC(F)=CC(C)(F)CN;UXGARLKRAGESPK-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227555;MM227555;C#CC(F)=CC(C)(F)CF;YKJYMSIYGWWRPN-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227556;MM227556;C#CC(F)=CC(F)(F)CO;KLWVWTHZYMHTDU-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227557;MM227557;C#CC(C)=CC(C)(C)NC;PUUTURBJZJTQAD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227558;MM227558;C#CC(F)=CC(C)(C)NC;BRJKQYGWJKWAKQ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227559;MM227559;C#CC(C)=CC(C)(C)OC;QOLYYOHGSREZKJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227560;MM227560;C#CC(F)=CC(C)(C)OC;PWYRQIOMOXMNCY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227561;MM227561;C=CC(C)(C)C=C(C)CC;MJNCTHCMGYVPKE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227562;MM227562;C=CC(C)(C)C=C(C)CN;WOWNACYMHKUZII-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227563;MM227563;C=CC(C)(C)C=C(C)CF;OHPNPUWANNZHLX-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227564;MM227564;CCC(C)=CC(C)(C)C=O;UOFGRHSRYDHOAZ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227565;MM227565;CCC(C)=CC(C)(C)C#N;NOWLVWTXSGBKFZ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227566;MM227566;CC(=CC(C)(C)C#N)CO;ZWKVPQHPDPSXGM-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227567;MM227567;CC(=CC(C)(C)C=O)CF;BIKHNUOAKYVYJV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227568;MM227568;CC(=CC(C)(C)C#N)CF;YAJRNCZVAZTMRH-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227569;MM227569;C=CC(C)(C)C=C(F)CC;WAFXQOYZBAZHEY-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227570;MM227570;C=CC(C)(C)C=C(F)CO;ZKJQBESJKJXJLL-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227571;MM227571;C=CC(C)(C)C=C(F)CF;LIQXDWVZNXFGLY-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227572;MM227572;CCC(F)=CC(C)(C)C=O;PWRLKRXSFZWJHG-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227573;MM227573;CCC(F)=CC(C)(C)C#N;HDXMWXKRJMHHFV-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227574;MM227574;CC(C)(C#N)C=C(F)CO;SWVIVFSPAJNQAG-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227575;MM227575;CC(C)(C#N)C=C(F)CF;PLSGPVRTUFSFLC-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227576;MM227576;C=CC(C)(N)C=C(C)CC;WZYIVJIUXWGNDR-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227577;MM227577;C=CC(C)(N)C=C(C)CF;WOHCRLTYAACWSU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227578;MM227578;C=CC(C)(N)C=C(F)CC;IYJQDRHQKNETBP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227579;MM227579;C=CC(C)(N)C=C(F)CF;KJLWYXPWKJCBCP-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227580;MM227580;CC=COCC1(CO)CN1;OSWQTCGVGPWOPT-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227581;MM227581;C=CC(C)(O)C=C(C)CF;IOXWMJUDBMADEV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227582;MM227582;CCC(C)=CC(C)(O)C#N;QGVRYSVFNBNSOH-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227583;MM227583;CC(=CC(C)(O)C#N)CO;YEDMSBUXWCPDAC-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227584;MM227584;C=CC(C)(O)C=C(F)CC;SSTVBVBPHAWSMN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227585;MM227585;C=CC(C)(O)C=C(F)CF;JUDIJKGGKZEJJL-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227586;MM227586;CC(O)(C=O)C=C(F)CO;RBMZXWPYMGSUQV-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227587;MM227587;CC(O)(C#N)C=C(F)CO;WUKCJIHFUHOAHH-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227588;MM227588;C=CC(C)(F)C=C(C)CC;MRSQYQJVFHRLQZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227589;MM227589;C=CC(C)(F)C=C(C)CN;MMAUHWOUWCCLLB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227590;MM227590;C=CC(C)(F)C=C(C)CF;UOHWARKZLNPONI-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227591;MM227591;CCC(C)=CC(C)(F)C=O;INIROUNSJUHUHZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227592;MM227592;CCC(C)=CC(C)(F)C#N;PJIYSKWKKRBTPF-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227593;MM227593;CC(=CC(C)(F)C=O)CF;YULZKAKIBZXYBS-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227594;MM227594;CC(=CC(C)(F)C#N)CF;LCNFPJDKSYUEDF-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227595;MM227595;C=CC(C)(F)C=C(F)CC;TXIXYTVXPASYJG-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227596;MM227596;CCC(F)=CC(C)(F)C=O;XMECKPRLSMNHOQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227597;MM227597;CC(F)(C#N)C=C(F)CO;GETXAJVUKWWEPL-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227598;MM227598;C=CC(F)(F)C=C(C)CC;VNCNUAUJLAKHOB-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227599;MM227599;C=CC(F)(F)C=C(C)CN;ONMCCEPAFVINQP-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227600;MM227600;C=CC(F)(F)C=C(C)CO;QODJAVKGZBRVRJ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227601;MM227601;N#CC(F)(F)C=C(F)CO;VMVQOMFOYNHGHQ-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227602;MM227602;C=CC(C)(C)C=C(C)OC;YYPWLXODWTURIA-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227603;MM227603;COC(C)=CC(C)(C)C=O;IKMYMUJILMKXTJ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227604;MM227604;COC(C)=CC(C)(C)C#N;SPYQFNAIGJRUKP-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227605;MM227605;C=CC(C)(N)C=C(C)OC;LWYFAYWZWNCMOS-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227606;MM227606;C=CC(C)(O)C=C(C)OC;IVKXOHWBQLAPOP-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227607;MM227607;COC(C)=CC(C)(O)C#N;YSKIZRXMMAYVIF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227608;MM227608;C=CC(C)(F)C=C(C)OC;PXJXBXSNCUKLRP-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227609;MM227609;COC(C)=CC(C)(F)C=O;DKAPBPBILUUSJJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227610;MM227610;COC(C)=CC(C)(F)C#N;CZOSTWKYQJEMNN-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227611;MM227611;C=CC(F)(F)C=C(C)OC;QXNJHPQBFZGEMA-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227612;MM227612;COC(C)=CC(F)(F)C#N;OGCILHFBZQJTKI-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227613;MM227613;C=CC(C)=CC(C)(C)C=C;OZZAIYQNEKBEOX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227614;MM227614;C=CC(C)(C)C=C(C)C=O;BREOVAPHKMBTRG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227615;MM227615;C=CC(C)(C)C=C(C)C#N;ZRRMSNYKDIYYER-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227616;MM227616;C=CC(C)=CC(C)(C)C=O;VJTVKGCCSBNQII-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227617;MM227617;C=CC(C)=CC(C)(C)C#N;CVBBHLBAOMTUBN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227618;MM227618;CC(C=O)=CC(C)(C)C=O;YYCGLYWWRMLOJS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227619;MM227619;CC(C#N)=CC(C)(C)C=O;YMCHJBDSHMILAR-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227620;MM227620;CC(C=O)=CC(C)(C)C#N;ZOPNHFPWJRFHDY-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227621;MM227621;CC(C#N)=CC(C)(C)C#N;HQYXYUMKJDEXQG-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227622;MM227622;C=CC(F)=CC(C)(C)C=C;HUEKINBEQVANCB-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227623;MM227623;C=CC(C)(C)C=C(F)C=O;UMIOKLMMGUSVIJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227624;MM227624;C=CC(C)(C)C=C(F)C#N;GPHZNXYSPDFHMD-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227625;MM227625;C=CC(F)=CC(C)(C)C=O;SYZUUALVFOUPTR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227626;MM227626;C=CC(F)=CC(C)(C)C#N;OHCBNZRKMSGUNJ-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227627;MM227627;CC(C)(C#N)C=C(F)C=O;ORGWMTQYDZCNNR-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227628;MM227628;CC(C)(C=O)C=C(F)C#N;MQMQGAXEKONLQJ-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227629;MM227629;CC(C)(C#N)C=C(F)C#N;FPDVPZJMAVDJPA-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227630;MM227630;C=CC(C)=CC(C)(N)C=C;RTSDMFTWHRTGMG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227631;MM227631;C=CC(F)=CC(C)(N)C=C;NBDKJFCLBQFRGC-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227632;MM227632;CC(NC=O)C1(CO)CN1;YUYBBQHIQORHKG-UHFFFAOYSA-N;144.17;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227633;MM227633;C=CC(C)(O)C=C(C)C=O;NIHIEFLCPSSJDC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227634;MM227634;C=CC(C)(O)C=C(C)C#N;ISQOOQGASAYLPW-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227635;MM227635;C=CC(C)=CC(C)(O)C#N;DXXRDVFJTMZSHX-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227636;MM227636;C=CC(F)=CC(C)(O)C=C;STXQLMNDRHBEJA-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227637;MM227637;C=CC(C)(O)C=C(F)C=O;DRXSFIWHZDRLQR-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227638;MM227638;CC(O)(C=O)C=C(F)C#N;ADNWZHOYGINLFO-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227639;MM227639;CC(O)(C#N)C=C(F)C#N;ISPWAPKPOUHBHM-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227640;MM227640;C=CC(C)=CC(C)(F)C=C;VDNANBIEWWCIAA-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227641;MM227641;C=CC(C)(F)C=C(C)C=O;OXDBFSPGAWFCRM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227642;MM227642;C=CC(C)(F)C=C(C)C#N;BHTIFDLPEZVMIL-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227643;MM227643;C=CC(C)=CC(C)(F)C=O;XVIATLZIRRRIFV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227644;MM227644;C=CC(C)=CC(C)(F)C#N;FCHMJGIAIMHFNP-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227645;MM227645;CC(C=O)=CC(C)(F)C#N;HWMUQDQNVYVDBX-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227646;MM227646;CC(C#N)=CC(C)(F)C#N;OHPYMYRDUQSLRI-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227647;MM227647;C=CC(C)(F)C=C(F)C=O;ARUJXIWXPWGYFH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227648;MM227648;C=CC(C)(F)C=C(F)C#N;YKLXEYHVOVBMTO-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227649;MM227649;C=CC(F)=CC(C)(F)C=O;GIKNHQNBZHCMBS-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227650;MM227650;C=CC(F)=CC(C)(F)C#N;SJYZIIXBGMANOF-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227651;MM227651;CC(F)(C=O)C=C(F)C#N;RAGBIKVRMYGGFL-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227652;MM227652;C=CC(C)=CC(F)(F)C=C;AEUCORSLHGYPSG-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227653;MM227653;C=CC(F)(F)C=C(C)C=O;AWZOKMJEIOWIDU-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227654;MM227654;C=CC(C)=CC(F)(F)C#N;IPIVTOMFYMDDMO-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227655;MM227655;C=CC(F)(F)C=C(F)C#N;GPEPQSKSWXVYHH-UHFFFAOYSA-N;147.1;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227656;MM227656;C#CC(C)=CC(C)(C)C=C;CRGVUHNKHAJMCA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227657;MM227657;C#CC(C)=CC(C)(C)C=O;FLHKMQGCGYABHO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227658;MM227658;C#CC(C)=CC(C)(C)C#N;PHXQLEXPGTVCOR-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227659;MM227659;C#CC(F)=CC(C)(C)C=C;QPDBOBGWBFHBQQ-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227660;MM227660;C#CC(F)=CC(C)(C)C#N;YNLOPFZUQQTSQG-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227661;MM227661;C#CC(C)=CC(C)(N)C=C;FDBYQGBITMOMMC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227662;MM227662;C#CC(F)=CC(C)(N)C=C;VFAQTKPDXZUMAP-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227663;MM227663;C=C1C(C)=CC2(CO)NC12;VOEZYTATOMDHCP-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227664;MM227664;C#CC(C)=CC(C)(O)C#N;PIWHTKOPURNAJY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227665;MM227665;C#CC(F)=CC(C)(O)C=C;HMAWFGZSAXAACA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227666;MM227666;C#CC(F)=CC(C)(O)C=O;AHANHZSFCZVIID-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227667;MM227667;C#CC(F)=CC(C)(O)C#N;HHBOWVUNFOHMQS-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227668;MM227668;C#CC(C)=CC(C)(F)C=C;ISTGRMCVOADAIC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227669;MM227669;C#CC(C)=CC(C)(F)C=O;JUWHNYNEWCUXSY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227670;MM227670;C#CC(C)=CC(C)(F)C#N;GFHQYGHBACKPBD-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227671;MM227671;C#CC(F)=CC(F)(F)C=O;HOURCNCKUWLOBR-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227672;MM227672;C#CC(F)=CC(F)(F)C#N;LUKYFDQHODWYGD-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227673;MM227673;C#CC(C)(C)C=C(C)CC;MEDSAZZNGGPOGJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227674;MM227674;C#CC(C)(C)C=C(C)CN;BRTNRIGVOOQHQQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227675;MM227675;C#CC(C)(C)C=C(C)CO;YFXXFPQBFJLRCR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227676;MM227676;C#CC(C)(C)C=C(C)CF;AIZJHIXKCSZHFZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227677;MM227677;C#CC(C)(C)C=C(F)CC;AZFBAUYCQLISMR-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227678;MM227678;C#CC(C)(C)C=C(F)CF;YZMZVEFYDXAUFA-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227679;MM227679;C#CC(C)(N)C=C(C)CC;KABWHHUYQZLSNM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227680;MM227680;C#CC(C)(N)C=C(C)CN;CDQURZVSXOFLDS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227681;MM227681;C#CC(C)(N)C=C(C)CF;HMOJTRIEEZBMMY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227682;MM227682;C#CC(C)(N)C=C(F)CC;PUZGFPWWSCGCTE-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227683;MM227683;C#CC(C)(N)C=C(F)CN;VMLHIDWDBPLRQG-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227684;MM227684;C#CC(C)(N)C=C(F)CO;NTHQUZJCCCMWBP-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227685;MM227685;C#CC(C)(N)C=C(F)CF;NKPIWDYMOSOKJD-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227686;MM227686;C#CC(C)(O)C=C(C)CC;CCYDOBZABGJYDJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227687;MM227687;C#CC(C)(O)C=C(C)CF;MQKPEVGVAJKYQR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227688;MM227688;C#CC(C)(O)C=C(F)CC;LBODGZOYRPVFBB-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227689;MM227689;C#CC(C)(F)C=C(C)CC;MEZGQLDOHWGZJM-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227690;MM227690;C#CC(C)(F)C=C(C)CF;KXXPDXZJLOAVLE-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227691;MM227691;C#CC(F)(F)C=C(C)CC;VLQAYBRAZIRDKQ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227692;MM227692;C#CC(F)(F)C=C(C)CN;SNYNPSHCTPIGNW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227693;MM227693;C#CC(F)(F)C=C(C)CF;XEEQJUOBONWQLD-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227694;MM227694;C#CC(C)(C)C=C(C)OC;CMOTWIIOBAZUML-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227695;MM227695;C#CC(C)(N)C=C(C)OC;WBIDYGCMQDICHT-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227696;MM227696;C#CC(C)(O)C=C(C)OC;WYMMBMRSAYTUDB-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227697;MM227697;C#CC(C)(F)C=C(C)OC;RPQVWFRIAFEFJB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227698;MM227698;C#CC(F)(F)C=C(C)OC;XXONCUUBUXKXMF-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227699;MM227699;C#CC(C)(C)C=C(C)C=C;UVNXIZLPIRJFKR-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227700;MM227700;C#CC(C)(C)C=C(C)C=O;VBXRGLBBYZVEOW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227701;MM227701;C#CC(C)(C)C=C(C)C#N;IPHLRSLQVYRXCF-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227702;MM227702;C#CC(C)(C)C=C(F)C=C;PEVKOJQPPPGUKV-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227703;MM227703;C#CC(C)(C)C=C(F)C=O;WVHBQFQIHACPJZ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227704;MM227704;C#CC(C)(C)C=C(F)C#N;CAABRIOLFLVLSM-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227705;MM227705;C#CC(C)(N)C=C(C)C=C;RTXLZACUJIFNHY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227706;MM227706;C#CC(C)(N)C=C(F)C=C;YLMDAORXSGBCFS-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227707;MM227707;C#CC(C)(O)C=C(C)C=C;XOBRMNBLOSHOIP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227708;MM227708;C#CC(C)(O)C=C(C)C#N;YHKGKDAUPCSLBK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227709;MM227709;C#CC(C)(O)C=C(F)C#N;ARFOHQSXXYZQBF-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227710;MM227710;C#CC(C)(F)C=C(C)C=C;VJMROVBLEZUADI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227711;MM227711;C#CC(C)(F)C=C(C)C#N;ZXQHFYMWHCMMCW-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227712;MM227712;C#CC(F)(F)C=C(C)C=O;NLCXHWQMQOKYGU-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227713;MM227713;C#CC(C)=CC(C)(C)C#C;KSIVGTBADOGUIE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227714;MM227714;C#CC(F)=CC(C)(C)C#C;SIQUKMCDGPOVPJ-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227715;MM227715;C#CC(C)=CC(C)(N)C#C;FIGPQHAOPRECFY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227716;MM227716;C#CC(F)=CC(C)(N)C#C;CCEPHFRHXZLCEF-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227717;MM227717;C#CC(C)=CC(C)(O)C#C;JZTAFOBVIHETMI-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227718;MM227718;C#CC(F)=CC(C)(O)C#C;HGVRUCSIUZHFCW-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227719;MM227719;C#CC(C)=CC(C)(F)C#C;HDRYWNMCOCVKAF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227720;MM227720;CCC(C)(C)CCC(C)C;SOYLPZSOEXZMLE-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227721;MM227721;CC(C)CCC(C)(C)CN;GJLBRVFKSYGBAG-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227722;MM227722;CCc1ccc(CO)n1N;QEUACKKSJDKMRI-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227723;MM227723;CCC(C)(C)CCC(C)N;YPYQEYXKXUCYDR-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227724;MM227724;CC(N)CCC(C)(C)CN;TWKNGLMZYWGVJF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227725;MM227725;CC(N)CCC(C)(C)CO;RQXCVHAUQJOTDW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227726;MM227726;CC(N)CCC(C)(C)CF;MLGMUDCKAVHQMZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227727;MM227727;OCc1ccc(CF)nc1;ZXZKFUYHLFZHHJ-UHFFFAOYSA-N;141.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227728;MM227728;CC(O)CCC(C)(C)CN;KZGJKLWHBJUGQZ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227729;MM227729;CC=C1C=CC2(CO)NC12;ADNIKYYQSGTKMR-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227730;MM227730;OCC12C=CC(=CF)C1N2;NMVRGCRRMQWLLU-UHFFFAOYSA-N;141.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227731;MM227731;CCC(C)(C)CCC(C)F;RSEQUXXHRPNQQN-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227732;MM227732;CC(F)CCC(C)(C)CN;OGYMNWQSTZPKMT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227733;MM227733;NN=C1C=CC2(CO)CN12;ODLQBSNSMJTZHI-UHFFFAOYSA-N;139.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227734;MM227734;CC(F)CCC(C)(C)CF;CVRXJGIOWVIFLI-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227735;MM227735;CC(C)(CN)CCC(F)F;YKBYSEFJCKXHNH-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227736;MM227736;CCC(C)(N)CCC(C)C;BGQJAQYRZFXINV-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227737;MM227737;CC(C)CCC(C)(N)CN;SCIDURKTRNNMJO-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227738;MM227738;CC(C)CCC(C)(N)CO;IXJRIXPESOUYDQ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227739;MM227739;CC(C)CCC(C)(N)CF;FVZZTKITLZTBER-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227740;MM227740;CCC(C)(N)CCC(C)N;OWZGPKCADSUVID-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227741;MM227741;CC(O)CCC(C)(N)CO;XXKDAFWZFUJZJI-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227742;MM227742;CCC(C)(N)CCC(C)F;FZFKYMVFFOFRIG-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227743;MM227743;CCC(C)(N)CCC(F)F;OIKHNUJZCBXXER-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227744;MM227744;CC(N)(CN)CCC(F)F;OWSFDTHRDWABIH-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227745;MM227745;CC(N)(CF)CCC(F)F;KDWKCGUPMPSLJT-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227746;MM227746;C=NNC(CO)CO;IFQUAEUOOMLNIF-UHFFFAOYSA-N;118.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227747;MM227747;CC(C)CCC(C)(O)CN;XSFNYFUUQXHUIJ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227748;MM227748;CC(C)CCC(C)(O)CO;FVYBULURWSSTRW-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227749;MM227749;CC(C)CCC(C)(O)CF;FKBPDZHLFXNAAO-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227750;MM227750;CCC(C)(O)CCC(C)N;ZAVHYHFIYCSHKH-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227751;MM227751;CC(N)CCC(C)(O)CO;DHASZOONKWNLTO-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227752;MM227752;CCC(C)(O)CCC(C)O;NKWKZLRCUPYPSO-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227753;MM227753;CC(O)CCC(C)(O)CN;DFRNEASEUXFEGW-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227754;MM227754;CCC(C)(O)CCC(C)F;FPDXYHFSLDLKHH-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227755;MM227755;CC(O)(CF)CCC(F)F;ZZDOQJADCUYFCG-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227756;MM227756;CCC(C)(F)CCC(C)C;VVHLWXMZBLOZHT-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227757;MM227757;CC(C)CCC(C)(F)CN;SRUYGVQZUZSERV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227758;MM227758;CC(C)CCC(C)(F)CO;BBAJWVYPJJEXHO-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227759;MM227759;CCC(C)(F)CCC(C)N;DHWJYQJXPOUGSO-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227760;MM227760;CC(N)CCC(C)(F)CN;FVLJJWHRQLURIE-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227761;MM227761;CCC(C)(F)CCC(C)O;CAADLDLOAALHJH-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227762;MM227762;CC(O)CCC(C)(F)CN;PKLQQRDLMWBEIA-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227763;MM227763;CC(O)CCC(C)(F)CF;DPLWYGVYUCEXEZ-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227764;MM227764;CCC(C)(F)CCC(C)F;SHKMJXVUHXCHPQ-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227765;MM227765;CC(F)CCC(C)(F)CO;HBKGRQXGPDAECJ-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227766;MM227766;CC(F)CCC(C)(F)CF;KZVSIZZHZWGTIR-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227767;MM227767;CCC(C)(F)CCC(F)F;VLOVCBRYSXBQQK-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227768;MM227768;CC(F)(CF)CCC(F)F;GWJOABCSHDJZNE-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227769;MM227769;CCC(F)(F)CCC(C)C;HCYJDJBPGQRENL-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227770;MM227770;CCC(F)(F)CCC(C)N;YCDDRLQOOCHHHP-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227771;MM227771;CCC(F)(F)CCC(C)F;WZIKLNGZXUITNN-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227772;MM227772;CCC(F)(F)CCC(F)F;PBOMUTJPPRBPTB-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227773;MM227773;CNC(C)(C)CCC(C)C;NWZJTSNLKJBJRB-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227774;MM227774;CNC(C)(C)CCC(C)N;VHMZPODCMXABIE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227775;MM227775;CNC(C)(C)CCC(C)O;VJYKRYMZYXZQHB-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227776;MM227776;CNC(C)(C)CCC(C)F;QBZKLKGVBMRBGL-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227777;MM227777;CNC(C)(C)CCC(F)F;SRONAGMPKQORKP-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227778;MM227778;COC(C)(C)CCC(C)C;DAUXALYGFRQYIH-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227779;MM227779;COC(C)(C)CCC(C)N;FMKLGLSTUYAPKR-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227780;MM227780;COC(C)(C)CCC(C)O;LAUQLAUYCKGMOZ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227781;MM227781;CCC(C)(C)CNC(C)C;TUHOTGBIVSMASC-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227782;MM227782;CC(C)NCC(C)(C)CN;GDYLJJDISUQZJP-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227783;MM227783;CC(C)NCC(C)(C)CO;YJOKYWPMJIWLPU-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227784;MM227784;CC(C)NCC(C)(C)CF;CDTRMYQKXPKVFQ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227785;MM227785;CCC(C)(N)CNC(C)C;APFJLGSHVRYWGE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227786;MM227786;CC(C)NCC(C)(N)CN;KCPYYNDXRYWOBN-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227787;MM227787;CCC(C)(O)CNC(C)C;HULNDMJYDWQDIK-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227788;MM227788;CC(C)NCC(C)(O)CO;DHRSGIIPLZERKM-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227789;MM227789;CCC(C)(F)CNC(C)C;BWNCGHULYBHZJN-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227790;MM227790;CC(C)NCC(C)(F)CF;ZCACIBBXOWBIQJ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227791;MM227791;CNC(C)(C)CNC(C)C;KZKSCPSHVYFCSH-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227792;MM227792;CCC(C)(C)COC(C)C;ZJLNTDSAVXGNPK-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227793;MM227793;CC(C)OCC(C)(C)CN;SKWMEFXBSGPPNJ-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227794;MM227794;CC(C)OCC(C)(C)CO;HPAHMHPNTXBINA-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227795;MM227795;CCC(C)(N)COC(C)C;MACTWYYRRUSFIM-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227796;MM227796;CC(C)OCC(C)(N)CN;BIHKJZUSTJZUMT-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227797;MM227797;CC(C)OCC(C)(N)CO;AABVKIKTGFJHJA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227798;MM227798;CCC(C)(O)COC(C)C;RHKDEGARICXBOS-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227799;MM227799;CC(C)OCC(C)(O)CN;BWIHCLBGNQSXBG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227800;MM227800;CC(C)OCC(C)(O)CO;QIVCDLMYRGAVFC-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227801;MM227801;CCC(C)(F)COC(C)C;LUORPFCUXMTGEL-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227802;MM227802;CC(C)OCC(C)(F)CO;DXZXPNHBEFKCCE-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227803;MM227803;CC(C)OCC(F)(F)CO;OBDJQPWYPGGXES-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227804;MM227804;CCC(C)(C)NCC(C)C;VMXPXPBFNMQUGF-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227805;MM227805;CC(C)CNC(C)(C)CN;WZMWKOWXCQDVQX-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227806;MM227806;CC(C)CNC(C)(C)CO;NREQAGDCGZXMMW-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227807;MM227807;CC(C)CNC(C)(C)CF;GOOSGXRXFHYNFB-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227808;MM227808;CCC(C)(C)NCC(C)N;XFERNRUWHLGACP-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227809;MM227809;CC(N)CNC(C)(C)CF;ZYLWSBUOMGQHKW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227810;MM227810;CCC(C)(C)NCC(C)O;KNQJFLIUNBPPCB-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227811;MM227811;CC(O)CNC(C)(C)CO;OIULAVWJXFTBCQ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227812;MM227812;CCC(C)(C)NCC(C)F;RSTHHDWLAKKFMA-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227813;MM227813;CC(C)(CF)NCC(F)F;YFZVBPMTZOCFET-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227814;MM227814;CCC(C)(C)OCC(C)C;YCTKEFKHNQHDPW-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227815;MM227815;CC(C)COC(C)(C)CN;UBJSAWHPTSHOOE-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227816;MM227816;CC(C)COC(C)(C)CO;ZMOBCRWYALFDEJ-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227817;MM227817;CCC(C)(C)OCC(C)N;WOBFZGUBFFUVJZ-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227818;MM227818;CC(N)COC(C)(C)CN;ATWPVXZDNHMZGD-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227819;MM227819;CCC(C)(C)OCC(C)O;HEOZHCZUAKKCFK-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227820;MM227820;CC(O)COC(C)(C)CO;JKDNCCQJWFEROD-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227821;MM227821;CC(O)COC(C)(C)CF;WCUYKKFGPBUNLL-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227822;MM227822;CCC(C)(C)OCC(C)F;BKDUGFVFXYDPRL-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227823;MM227823;CC(F)COC(C)(C)CN;FBWBOCROEWSWPT-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227824;MM227824;CC(F)COC(C)(C)CO;MLZWSMDFFOWCKR-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227825;MM227825;COC(C)(C)OCC(C)F;BDKDXUZUMFYDOT-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227826;MM227826;COC(C)(C)OCC(F)F;HISNHDWBXFNPHB-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227827;MM227827;CCC(C)(C)CCN(C)C;NRJYLVNLWUDWPC-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227828;MM227828;CN(C)CCC(C)(C)CN;ZTPBYQKYOGEAMO-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227829;MM227829;CN(C)CCC(C)(C)CO;WAFWTXGROWCNSV-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227830;MM227830;CCC(C)(N)CCN(C)C;SYQUZQZXNKPAGQ-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227831;MM227831;CN(C)CCC(C)(N)CO;UFVKGCDJSMNEHK-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227832;MM227832;CN(C)CCC(C)(N)CF;MGVAIBPWLSABOV-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227833;MM227833;CCC(C)(O)CCN(C)C;RMMXCTSRQXTLLZ-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227834;MM227834;CN(C)CCC(C)(O)CN;WMPJWMMDBBXVJT-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227835;MM227835;CCC(C)(F)CCN(C)C;IKEOKEDELYYQCX-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227836;MM227836;CN(C)CCC(C)(F)CF;DQNOUQDMHKXDTI-UHFFFAOYSA-N;151.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227837;MM227837;CCC(F)(F)CCN(C)C;FDBPXAWLBAYNDU-UHFFFAOYSA-N;151.2;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227838;MM227838;CNC(C)(C)CCN(C)C;CMMUHNWPXDPGPQ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227839;MM227839;COC(C)(C)CCN(C)C;YPSVLGLGXBDDPX-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227840;MM227840;C=CC(C)(C)CCC(C)C;IWVIFHFBNMTBNT-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227841;MM227841;CC(C)CCC(C)(C)C=O;MGSPGLRSSKDOSK-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227842;MM227842;CC(C)CCC(C)(C)C#N;TTWPISKVNKXMPJ-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227843;MM227843;C=CC(C)(C)CCC(C)N;OXWBNYYRUUXRGK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227844;MM227844;C=Nn1cnc(N)n1;POKSDXQZGGLFGF-UHFFFAOYSA-N;111.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227845;MM227845;CC1(CO)CN1CCO;OJATWQHXJHQGMZ-UHFFFAOYSA-N;131.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227846;MM227846;CC#Cc1cnc(N)o1;BUFXEVPNHADVFZ-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227847;MM227847;C=CC(C)(C)CCC(C)F;DXJQNYPPJKJAFF-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227848;MM227848;CC(F)CCC(C)(C)C#N;HYXQMNHIVPJFAH-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227849;MM227849;C=CC(C)(C)CCC(F)F;STJPBGOHVKROML-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227850;MM227850;CC(C)(C=O)CCC(F)F;RYZYMKBXHMBGDT-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227851;MM227851;C=CC(C)(N)CCC(C)C;SMUYWAKRMMTBII-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227852;MM227852;C=CC(C)(N)CCC(C)N;AOLGBAIIYWMNCI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227853;MM227853;C=CC(C)(N)CCC(C)F;VGYQTCOJWKKDSX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227854;MM227854;CC=Nn1cnc(N)n1;FEJAGAUFAGANQK-UHFFFAOYSA-N;125.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227855;MM227855;CC(C)CCC(C)(O)C=O;XYXCNVSWDIKBPT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227856;MM227856;CC(C)CCC(C)(O)C#N;PLCIHCBMYXZOLC-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227857;MM227857;C=CC(C)(O)CCC(C)O;VYCUSEGVVCVJCO-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227858;MM227858;C=CC(C)(O)CCC(C)F;DLTXXKWNZAQOGE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227859;MM227859;CC(F)CCC(C)(O)C#N;HIMFYZJKUBLNKW-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227860;MM227860;C=CC(C)(O)CCC(F)F;RMYQUGMRBUQCNZ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227861;MM227861;CC(O)(C#N)CCC(F)F;SNZIPGSCROUBTD-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227862;MM227862;C=CC(C)(F)CCC(C)C;UBPVCCGNDHRMMB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227863;MM227863;C=CC(C)(F)CCC(C)N;WGFOSCYSAVRRGS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227864;MM227864;C=CC(C)(F)CCC(C)O;NAEQANVNZJBHML-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227865;MM227865;C=CC(C)(F)CCC(C)F;COEIHWMCZMKCOC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227866;MM227866;C=CC(C)(F)CCC(F)F;YIBVYOGWSPQARK-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227867;MM227867;C=CC(F)(F)CCC(C)N;ZBHAZMXFJVDCKG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227868;MM227868;CC(O)CCC(F)(F)C=O;DPQCUORCIWXNAS-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227869;MM227869;CC(F)CCC(F)(F)C#N;MHXJCGZXFVYDLO-UHFFFAOYSA-N;151.13;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227870;MM227870;C=CC(C)(C)CNC(C)C;YLEDNPAPYVJTHU-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227871;MM227871;CC(C)NCC(C)(C)C=O;WQYJIGUJQRGLQF-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227872;MM227872;CC(C)NCC(C)(C)C#N;VMGBAZFMHKSEGC-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227873;MM227873;C=CC(C)(N)CNC(C)C;GABUYZCDXIIQTD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227874;MM227874;C=CC(C)(O)CNC(C)C;POKULNDMZQXYDL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227875;MM227875;C=CC(C)(F)CNC(C)C;XHZODCHYXBWRPK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227876;MM227876;C=CC(C)(C)COC(C)C;BMCHAALLTJWELM-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227877;MM227877;CC(C)OCC(C)(C)C=O;AMGFQCCAMAEROA-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227878;MM227878;CC(C)OCC(C)(C)C#N;XWWFIBPIGKBHMX-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227879;MM227879;C=CC(C)(N)COC(C)C;FTIYIQPNDOJNQP-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227880;MM227880;C=CC(C)(O)COC(C)C;CANPREZUTIYUSI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227881;MM227881;C=CC(C)(F)COC(C)C;JGIFMIVIDFSZQY-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227882;MM227882;C=CC(C)(C)NCC(C)C;RELFDUVKHBNQKH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227883;MM227883;CC(C)CNC(C)(C)C=O;FQAYKGJBYGIMCT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227884;MM227884;CC(C)CNC(C)(C)C#N;IXICTGPBRRDJPC-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227885;MM227885;C=CC(C)(C)NCC(C)N;DVHUXFPWAJQBLA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227886;MM227886;Cc1ccc(CO)n1N;ADJMGDNVPBPRLJ-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227887;MM227887;C=CC(C)(C)NCC(C)F;ADUAAJSNYGRUSV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227888;MM227888;CC(F)CNC(C)(C)C#N;STLZBCJPVRYPGC-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227889;MM227889;C=CC(C)(C)OCC(C)C;MWUREMUOIJHQLV-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227890;MM227890;CC(C)COC(C)(C)C#N;DKHVGDSDMUFPRY-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227891;MM227891;C=CC(C)(C)OCC(C)N;IKXCUPMEUJYYEV-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227892;MM227892;C=CC(C)(C)OCC(C)O;HKIYAEAICRHTLZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227893;MM227893;C=CC(C)(C)CCN(C)C;HZWNLPPBCJWSRT-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227894;MM227894;CN(C)CCC(C)(C)C=O;SGLIJEZOQCJQGK-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227895;MM227895;C=CC(C)(O)CCN(C)C;WJWZVKLYYPTNKW-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227896;MM227896;C=CC(C)(F)CCN(C)C;MRDOVAURJRVKDD-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227897;MM227897;C#CC(C)(C)CCC(C)C;CPJCSGNJXXSWEH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227898;MM227898;C#CC(C)(C)CCC(C)N;FDAWVMIMKTXKMF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227899;MM227899;NN=C(NO)N(N)C=O;NRIRGTDGZYMDNW-UHFFFAOYSA-N;133.11;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227900;MM227900;C#CC(C)(N)CCC(C)C;TUKFYCNBEPSJMN-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227901;MM227901;C#CC(C)(N)CCC(C)F;IFMVPEUAGUWALW-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227902;MM227902;C#CC(C)(N)CCC(F)F;VJTFYHGQECMPKD-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227903;MM227903;C#CC(C)(O)CCC(C)C;COWFALGRNJAHKW-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227904;MM227904;C#CC(C)(O)CCC(C)F;QRPZRMGGGQLNKE-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227905;MM227905;C#CC(C)(F)CCC(C)F;NIFAOIHFZJDWSH-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227906;MM227906;C#CC(C)(C)CNC(C)C;RFQVSJYXJAAHLJ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227907;MM227907;C#CC(C)(F)CNC(C)C;RJEFPUJQHNVVGT-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227908;MM227908;C#CC(C)(N)COC(C)C;SPBNPDGYVONCDQ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227909;MM227909;C#CC(C)(O)COC(C)C;JOJFNUQYQLTWSW-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227910;MM227910;C#CC(C)(C)NCC(C)C;YJJWZTVPRSPZCY-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227911;MM227911;C#CC(C)(C)NCC(F)F;OOMRSJWBENGTAC-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227912;MM227912;C#CC(C)(C)OCC(C)C;UMKDKLKUIRERDL-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227913;MM227913;C#CC(C)(C)OCC(C)N;YTDRYOLVKNWQJC-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227914;MM227914;C#CC(C)(C)OCC(C)O;AQMVILRLXDHQEX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227915;MM227915;C#CC(C)(C)CCN(C)C;GCZLXPZXAACRBG-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227916;MM227916;C#CC(C)(F)CCN(C)C;KXBQBDWKLOQLTO-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227917;MM227917;C#CC(F)(F)CCN(C)C;JSNXYRXEZNKIHL-UHFFFAOYSA-N;147.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227918;MM227918;C=C(C)CCC(C)(C)CC;UDUZWGJPQXMNHN-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227919;MM227919;C=C(C)CCC(C)(C)CN;ORNLSYJTVPFEQE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227920;MM227920;CC=NNC(CO)CO;TXWAITDZGQQJML-UHFFFAOYSA-N;132.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227921;MM227921;C=C(C)CCC(C)(C)CF;LRTCLVIRUOQPLY-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227922;MM227922;CCC(C)(C)CCC(C)=O;OPKLWRDIYNLJGA-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227923;MM227923;C=CC1(CO)NC1CF;SAXMKOLJRIXAGO-UHFFFAOYSA-N;131.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227924;MM227924;CC(=O)CCC(C)(C)CF;JJDIGZHHYABDIU-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227925;MM227925;CCC(C)(C)CCC(=N)N;QVHMHUSKKUSNNO-UHFFFAOYSA-N;142.25;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227926;MM227926;CC(C)(CF)CCC(=N)N;HIAIBCNODSXQKV-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227927;MM227927;OCC12C=CC(F)C1N2;DXSIEAMZKAGSGQ-UHFFFAOYSA-N;129.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227928;MM227928;CON=CN(O)CC(C)O;FXGAZXBKYRLBRY-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227929;MM227929;C=NN=CN(O)CC(C)O;NCXVJTUOGCYAQD-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227930;MM227930;CCC(C)(C)CCC(=O)O;CDDLKCXJAFKTMW-UHFFFAOYSA-N;144.21;2.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227931;MM227931;Nc1nn(O)c(O)c1F;VTIZOUVQHZRBIY-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227932;MM227932;CC(C)(CF)CCC(=O)O;IKJXQXQXJMSMTD-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227933;MM227933;C=C(F)CCC(C)(C)CC;XATIFGXDLNQCOT-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227934;MM227934;C=C(F)CCC(C)(C)CN;KJSXKJRLMNYSAH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227935;MM227935;C=C(F)CCC(C)(C)CF;FOBJHSKAUXHZAC-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227936;MM227936;C=C(C)CCC(C)(N)CC;WZOSXYYDRVMOHC-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227937;MM227937;C=C(C)CCC(C)(N)CF;NZHDUHWPKGEOHS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227938;MM227938;CC(N)(CN)CCC(=N)N;GYAORIRKPDACMW-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227939;MM227939;CC(N)(CO)CCC(=N)N;JEFYXCXMGIPHQW-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227940;MM227940;CC(N)(CF)CCC(=N)N;NBTHQVZPNLOYQI-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227941;MM227941;CCC(C)(N)CCC(N)=O;RKKUFKVQJPADPK-UHFFFAOYSA-N;144.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227942;MM227942;C=C(F)CCC(C)(N)CC;VKKDWZMBKNCQBC-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227943;MM227943;C=C(F)CCC(C)(N)CF;AGYGXMQIQDRUEA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227944;MM227944;CC(=O)C(=N)NOC(N)=O;OVQRHALUZSYHTD-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227945;MM227945;C=C(C)CCC(C)(O)CO;JHYKGBQCPYOGNA-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227946;MM227946;C=C(C)CCC(C)(O)CF;OHEQMQBBIYGMLQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227947;MM227947;CCC(C)(O)CCC(C)=O;HVMOHUJXRYIQSZ-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227948;MM227948;CCC(C)(O)CCC(=N)N;NYFWKJAKDQEXCY-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227949;MM227949;CNn1ncc(C#N)c1O;BNIOONVIEBVNPM-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227950;MM227950;C=C(F)CCC(C)(O)CC;KPRACEYSTLQAKN-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227951;MM227951;C=C(F)CCC(C)(O)CF;APBXWUQUIHZFJH-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227952;MM227952;C=C(C)CCC(C)(F)CC;UKNNYYHSDMWEHD-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227953;MM227953;C=C(C)CCC(C)(F)CN;RJSMFPXDMGVXCK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227954;MM227954;C=C(C)CCC(C)(F)CO;WQTJZUWFZUUNHK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227955;MM227955;C=C(C)CCC(C)(F)CF;YHMYIHHSMUUMBU-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227956;MM227956;CCC(C)(F)CCC(C)=O;KTBNWSAXWSOEHG-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227957;MM227957;CCC(C)(F)CCC(=O)O;RKNMASXSMLNVDQ-UHFFFAOYSA-N;148.18;1.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227958;MM227958;CC(F)(CF)CCC(=O)O;SGXVGLZUXHPAPL-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227959;MM227959;C=C(F)CCC(C)(F)CC;AXHUIAFUNOSHJS-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227960;MM227960;C=C(C)CCC(F)(F)CC;RGSGWDPCBMLDNM-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227961;MM227961;C=C(C)CCC(F)(F)CF;AZGIVQFVBVZTFU-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227962;MM227962;CCC(F)(F)CCC(C)=O;BUSHXADJLJRXIF-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227963;MM227963;N=C(N)CCC(F)(F)CF;ZMGVPZFPHPQMDG-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227964;MM227964;CCC(F)(F)CCC(=O)O;YHYRITFFTSJAIU-UHFFFAOYSA-N;152.14;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227965;MM227965;C=C(C)CCC(C)(C)NC;NRIBYYHDHZFSBT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227966;MM227966;CNC(C)(C)CCC(C)=O;FQHSOWZYOKALPH-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227967;MM227967;CNC(C)(C)CCC(N)=O;ZKTGQDOCDYKLPQ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227968;MM227968;C=C(F)CCC(C)(C)NC;FSOLFQZEOAHKQS-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227969;MM227969;C=C(C)CCC(C)(C)OC;PSCZCZRKHDCWKM-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227970;MM227970;C=C(F)CCC(C)(C)OC;JBVKJBSESSTNGG-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227971;MM227971;CCC(C)(C)CNC(C)=N;GQFFLEQVSHMSSZ-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227972;MM227972;CC(=N)NCC(C)(C)CF;PESUSGSNTWEJRU-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227973;MM227973;CC(=N)N(C=N)OC(N)=O;VLGMDQKOMZKSMM-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227974;MM227974;CC(=O)NCC(C)(C)CN;JRDDSVCKIHBGHK-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227975;MM227975;C=CC(C)(CO)N(N)C=O;LJJAJZJSFNBPII-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227976;MM227976;CCC(C)(C)CNC(=N)N;WPEVGZXEPWWZRW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227977;MM227977;CC(C)(CN)CNC(=N)N;JBVSPFZSCIKRTH-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227978;MM227978;CC(C)(CO)CNC(=N)N;OJQRELBNLJVUTB-UHFFFAOYSA-N;145.21;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227979;MM227979;CCC(O)(CC)CC=NN;CIVDLTVLFRAKDU-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227980;MM227980;CC(C)(CN)CNC(N)=O;PUQRAIGQSFBLCB-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227981;MM227981;CC(C)(CO)CNC(N)=O;LPQNEJNHQWFWAX-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227982;MM227982;CC(C)(CF)CNC(N)=O;FMPFDBUCEIHHNC-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227983;MM227983;CC(=N)NCC(C)(N)CO;IATYFRIROCHKPE-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227984;MM227984;CCC(C)(N)CNC(C)=O;YRFGRNFNYSTHMW-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227985;MM227985;CC(=O)NCC(C)(N)CN;KHYHJCQSCMXDME-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227986;MM227986;CC(=O)NCC(C)(N)CO;IBUNFWNAFWJILW-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227987;MM227987;CCC(C)(N)CNC(=N)N;YYFQULUPPUJSAD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227988;MM227988;CC(N)(CN)CNC(=N)N;LWQRUCNIPYDINF-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227989;MM227989;CCC(C)(N)CNC(N)=O;DFRYGMZNHOCIKC-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227990;MM227990;CC(N)(CN)CNC(N)=O;GIKYWTBJAZTCML-UHFFFAOYSA-N;146.19;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227991;MM227991;CC(=N)NCC(C)(O)CN;FQYRAYCCQALIBX-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227992;MM227992;CC(=N)NCC(C)(O)CO;RLNASMYHZYVVGP-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227993;MM227993;CC(=O)NCC(C)(O)CN;SDZPIULKGCUAJI-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227994;MM227994;CCC(C)(O)CNC(=N)N;RNSVAXUAQCQNAB-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227995;MM227995;CC(O)(CN)CNC(=N)N;PULUIVYPCKPFJX-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227996;MM227996;CC(O)(CO)CNC(=N)N;PQTUSRXITXTZCL-UHFFFAOYSA-N;147.18;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227997;MM227997;CC(O)(CF)CNC(=N)N;APCPGZRUBTVPKJ-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227998;MM227998;CCC(C)(O)CNC(N)=O;DWKFXQZPXAQVFD-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM227999;MM227999;CC(O)(CN)CNC(N)=O;WMOCYYOWXRYZPX-UHFFFAOYSA-N;147.18;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228000;MM228000;CC(O)(CO)CNC(N)=O;AAGWIXIRLRCYOW-UHFFFAOYSA-N;148.16;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228001;MM228001;CC(O)(CF)CNC(N)=O;QQDUSEPITFNLSO-UHFFFAOYSA-N;150.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228002;MM228002;CCC(C)(F)CNC(C)=N;YXSOYGVUZPCOEE-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228003;MM228003;CC(=N)NCC(C)(F)CN;RKZVTQOAHALDEN-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228004;MM228004;CC(=N)NCC(C)(F)CO;PTAIMHGNFQAVQP-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228005;MM228005;CC(F)(CO)CNC(=N)N;SODQWWJAXLPMMX-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228006;MM228006;CC(F)(CO)CNC(N)=O;IIICMFTVWLBVPX-UHFFFAOYSA-N;150.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228007;MM228007;CCC(F)(F)CNC(C)=N;GNYNTAAKYVLJOH-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228008;MM228008;CC(=N)NCC(F)(F)CO;SQRRLMKVZXVTOW-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228009;MM228009;CCC(F)(F)CNC(C)=O;JQASAZGLLVETDI-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228010;MM228010;CC(=O)NCC(F)(F)CO;CNCJWLZESRYJPH-UHFFFAOYSA-N;153.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228011;MM228011;N=C(N)NCC(F)(F)CO;LGEACDJRIHWRPR-UHFFFAOYSA-N;153.13;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228012;MM228012;CCC(F)(F)CNC(N)=O;VJUQDQQIOJZVLB-UHFFFAOYSA-N;152.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228013;MM228013;NC(=O)NCC(F)(F)CO;OIKSUJQIRIGCPU-UHFFFAOYSA-N;154.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228014;MM228014;CNC(C)(C)CNC(C)=N;CDEBNWMMZXFVAO-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228015;MM228015;CNC(C)(C)CNC(=N)N;OMTMBIKNBRCEEM-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228016;MM228016;CNC(C)(C)CNC(N)=O;KGUWHEJWQZRUEH-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228017;MM228017;C=C(C)OCC(C)(C)CC;QDBSTXPBJCLKLA-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228018;MM228018;C=C(C)OCC(C)(C)CN;XJIHMUNPCNBAIY-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228019;MM228019;C=C(C)OCC(C)(C)CO;AANPZZBJQNKIHP-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228020;MM228020;C=C(C)OCC(C)(C)CF;ZIDNBGOTJKBDIJ-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228021;MM228021;CCC(C)(C)COC(C)=O;NHYAVJHYAAAJFM-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228022;MM228022;CC(=O)OCC(C)(C)CN;HTDHFPXIPWMJOX-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228023;MM228023;CC(=O)OCC(C)(C)CO;OQKCATBWQLXRQX-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228024;MM228024;CCC(C)(C)COC(=N)N;SGEJLRKBYQQCFW-UHFFFAOYSA-N;144.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228025;MM228025;CC(C)(CN)COC(=N)N;VSRUDSMBMBKMEM-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228026;MM228026;CC(C)(CO)COC(=N)N;UZQPWLHPJGGYHY-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228027;MM228027;CCC(C)(C)COC(N)=O;FPAGVRGNEOLJQY-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228028;MM228028;C=C(C)OCC(C)(N)CC;IPIJMHKJUKZFFF-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228029;MM228029;C=C(C)OCC(C)(N)CN;SQXXHKLMOIEOCA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228030;MM228030;C=C(C)OCC(C)(N)CF;JTBRIAPZIHUPJR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228031;MM228031;CC(=O)OCC(C)(N)CN;IBQNUWDXWQJKBL-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228032;MM228032;CC(=O)OCC(C)(N)CO;UGVKUMQSPZUXIJ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228033;MM228033;CCC(C)(N)COC(=N)N;YECUAMLCMGLKQA-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228034;MM228034;CC(N)(CN)COC(=N)N;DKZMAEHHFCJWEE-UHFFFAOYSA-N;146.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228035;MM228035;CC(N)(CO)COC(=N)N;AJLFCHUPWIMQFW-UHFFFAOYSA-N;147.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228036;MM228036;CCC(C)(N)COC(N)=O;IWXISLHHPBNAFH-UHFFFAOYSA-N;146.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228037;MM228037;CC(N)(CN)COC(N)=O;WKKJBNIRFHKGIO-UHFFFAOYSA-N;147.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228038;MM228038;CC(N)(CO)COC(N)=O;UGANUQGYILKBTF-UHFFFAOYSA-N;148.16;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228039;MM228039;CC(N)(CF)COC(N)=O;XQFYYQMGLYIUND-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228040;MM228040;C=C(C)OCC(C)(O)CC;IBXMLSLPWAVOIX-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228041;MM228041;CCC(C)(O)COC(C)=O;BTIXKTULYUKLCG-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228042;MM228042;CC(=O)OCC(C)(O)CO;LJCLHFZCSRJTBG-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228043;MM228043;CC(=O)OCC(C)(O)CF;WGEFHPIGNKYBBH-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228044;MM228044;CCC(C)(O)COC(=N)N;JMXAGUJPAHCRRV-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228045;MM228045;CC(O)(CN)COC(=N)N;AKFLIAHSWUQWKM-UHFFFAOYSA-N;147.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228046;MM228046;CC(O)(CO)COC(=N)N;JKJCQZLMUTZARY-UHFFFAOYSA-N;148.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228047;MM228047;CC(O)(CF)COC(=N)N;VDYIBLQIAZKABP-UHFFFAOYSA-N;150.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228048;MM228048;CC(O)(CN)COC(N)=O;HMQVPQOTISOQDY-UHFFFAOYSA-N;148.16;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228049;MM228049;C=C(C)OCC(C)(F)CC;FACPQUYUTQHGAU-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228050;MM228050;C=C(C)OCC(C)(F)CN;NZFNBJNHKIFVAA-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228051;MM228051;C=C(C)OCC(C)(F)CO;KZMYGXGQQFWTND-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228052;MM228052;CCC(C)(F)COC(C)=O;YBBHBKBWQMQQDP-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228053;MM228053;CC(=O)OCC(C)(F)CF;NNMDDONQBNIHNS-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228054;MM228054;CCC(C)(F)COC(=N)N;CVQJTINFHQCOOW-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228055;MM228055;CC(F)(CN)COC(=N)N;ACHIIBPTOUENLQ-UHFFFAOYSA-N;149.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228056;MM228056;CC(F)(CO)COC(=N)N;ZYGPNDDXQOURAC-UHFFFAOYSA-N;150.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228057;MM228057;CC(F)(CN)COC(N)=O;ROCPQWISSQMPIR-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228058;MM228058;CC(F)(CO)COC(N)=O;GXMSJBOXKZOWKG-UHFFFAOYSA-N;151.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228059;MM228059;C=C(C)OCC(F)(F)CC;YQNQTCLRSQGGHU-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228060;MM228060;C=C(C)OCC(F)(F)CO;IPGDLBKOLRWOMD-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228061;MM228061;CCC(F)(F)COC(=N)N;QSGNIVHOBZDXRT-UHFFFAOYSA-N;152.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228062;MM228062;CCC(F)(F)COC(N)=O;NJLGLFYJBHCYEF-UHFFFAOYSA-N;153.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228063;MM228063;NC(=O)OCC(F)(F)CO;NYRODNMSZSNWNY-UHFFFAOYSA-N;155.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228064;MM228064;C=C(C)OCC(C)(C)NC;BBLQGWUUFOZIJB-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228065;MM228065;CNC(C)(C)COC(C)=O;FNVBLFOZXULNTA-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228066;MM228066;CNC(C)(C)COC(=N)N;VMHAEMIUOCLRAR-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228067;MM228067;CNC(C)(C)COC(N)=O;OQWPGRPNBYHUMT-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228068;MM228068;C=C(C)OCC(C)(C)OC;IRRSUGWTQDHSDT-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228069;MM228069;COC(C)(C)COC(C)=O;JHKNIWHNHTYWDI-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228070;MM228070;C=C(C)CNC(C)(C)CC;UYHXNAJJOPDTEM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228071;MM228071;C=C(C)CNC(C)(C)CF;ALFRIIONTAHTJU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228072;MM228072;CCC(C)(C)NCC(C)=O;ZQOWHUNAIGTMFV-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228073;MM228073;CC(C)(CN)NCC(=N)N;NZVCEVZPPJLONC-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228074;MM228074;CC(C)(CO)NCC(=N)N;SECYLGHVWUQNCM-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228075;MM228075;CC(C)(CO)NCC(N)=O;FOZDAJXOWDHLNW-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228076;MM228076;CCC(C)(C)NNC(C)=N;PPOPOZITIGCJDZ-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228077;MM228077;CC(=N)NNC(C)(C)CO;IYENQWMHICKJDS-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228078;MM228078;C=CC(C)(CO)NN=CC;GBFZQWDJNWAAIA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228079;MM228079;CC(=O)NNC(C)(C)CN;ZBHLNZAGRNTXAO-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228080;MM228080;C=NN(C=N)C1CC1(C)O;WGKGIXKTRFWNJT-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228081;MM228081;C=NN(C=O)C1CC1(C)O;SGKCMXYUZWIZLU-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228082;MM228082;CC(C)(CO)NNC(=N)N;MEXWHHKRKVLCCJ-UHFFFAOYSA-N;146.19;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228083;MM228083;CC(C)(CN)NNC(N)=O;OMUFXMGOPSCYFP-UHFFFAOYSA-N;146.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228084;MM228084;C=C(C)COC(C)(C)CC;TUKWTSWVJJEVKL-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228085;MM228085;C=C(C)COC(C)(C)CO;VIYJKNBZRRVSLZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228086;MM228086;C=C(C)COC(C)(C)CF;PAAHUYZNILVUTC-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228087;MM228087;CCC(C)(C)OCC(C)=O;QTBCJQOASGHXML-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228088;MM228088;CCC(C)(C)OCC(=N)N;ARTICPZMWHTXOX-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228089;MM228089;CC(C)(CN)OCC(=N)N;KRSSBGWZUMZUHI-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228090;MM228090;CC(C)(CO)OCC(=N)N;SYQJFFNHDYJBRB-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228091;MM228091;CC(C)(CF)OCC(=N)N;JAAYLKRLVVHWSP-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228092;MM228092;CCC(C)(C)OCC(N)=O;CWWOXIQCSCJAPL-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228093;MM228093;CC(C)(CN)OCC(N)=O;BJGBENHXFXBHNW-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228094;MM228094;CC(C)(CO)OCC(N)=O;JRPMXKBISLLCSN-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228095;MM228095;CC(C)(CF)OCC(N)=O;FJMMYKNPWKZIAC-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228096;MM228096;C=C(F)COC(C)(C)CC;OCLCEMBLRWRUIN-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228097;MM228097;C=C(F)COC(C)(C)CO;CWTIOLGEWAUPBK-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228098;MM228098;C=C(C)COC(C)(C)OC;ZWPSJHVQELVVDD-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228099;MM228099;COC(C)(C)OCC(C)=O;LXKZORFGWLNAOR-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228100;MM228100;O=c1[nH]cc2cn[nH]cc1-2;FJJMZBFOQJRJLT-UHFFFAOYSA-N;135.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228101;MM228101;C=C(F)COC(C)(C)OC;KOTINAMJBVXWGF-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228102;MM228102;CCC(C)(C)ONC(C)=N;OBUVPELDPVUBHX-UHFFFAOYSA-N;144.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228103;MM228103;CC(=N)NOC(C)(C)CN;PINDHUOMZVHKRX-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228104;MM228104;CC(=N)NOC(C)(C)CO;LOJAJPRXWWASST-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228105;MM228105;CCC(C)(C)ONC(C)=O;YTLZQPZPNWYTPF-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228106;MM228106;CC(=O)NOC(C)(C)CF;HYIKJFUQPIWYCC-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228107;MM228107;CCC(C)(C)ONC(=N)N;OQVJLVODDRFFGT-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228108;MM228108;CC(C)(CN)ONC(=N)N;FKDDOFQVTGHVCM-UHFFFAOYSA-N;146.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228109;MM228109;CC(C)(CO)ONC(=N)N;QVNQAQSDDLAMNH-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228110;MM228110;CCC(C)(C)ONC(N)=O;XIPRFZVROVRPIL-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228111;MM228111;CC(C)(CN)ONC(N)=O;DRRRDYGEOKKRPT-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228112;MM228112;CC(C)(CF)ONC(N)=O;KACDTGSDFZWGBT-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228113;MM228113;C=CC(C)(C)CCC(=C)C;IFNFARVJUNNPDT-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228114;MM228114;C=C(C)CCC(C)(C)C=O;OSPOXBKDAHREKG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228115;MM228115;C=CC(C)(C)CCC(C)=O;ROWXSECQELZSRF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228116;MM228116;CC(=O)CCC(C)(C)C=O;IGFYQTMEAMWUOC-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228117;MM228117;CC(=O)CCC(C)(C)C#N;PWFVILOSFJMIPY-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228118;MM228118;CC(C)(C=O)CCC(=N)N;CECKPYQYJFLFNU-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228119;MM228119;CC(C)(C#N)CCC(=N)N;VVGUQDHXZKCPSD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228120;MM228120;CN=C(C=O)NOC(N)=O;DRVWLUGDIVYOHZ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228121;MM228121;CN=c1o[nH]c(C#N)c1O;SVMXBEMMOWJFJG-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228122;MM228122;CC(C)(C#N)CCC(=O)O;WNXQJKRHMHUFDQ-UHFFFAOYSA-N;141.17;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228123;MM228123;C=CC(C)(C)CCC(=C)F;AJKUQKIWOVFHOQ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228124;MM228124;C=C(F)CCC(C)(C)C=O;BCRFQCKZQYRDQA-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228125;MM228125;C=CC(C)(N)CCC(=C)C;HOURZUDUBWPFML-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228126;MM228126;C=CC(C)(N)CCC(=C)F;XCWVOWVQWZVKQG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228127;MM228127;CC(C)=NNC(CO)CO;FYRJPKCCEGOSBB-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228128;MM228128;C=C(C)CCC(C)(O)C#N;DHKBIXKLIWPZGD-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228129;MM228129;C=CC(C)(O)CCC(C)=O;LSTPQJAZIYMKQM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228130;MM228130;CC(=O)CCC(C)(O)C#N;GZYPRQUDISJZRN-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228131;MM228131;CC(O)(C=O)CCC(=N)N;PLQJQGWRKLZWQL-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228132;MM228132;CC(O)(C#N)CCC(=N)N;AEVCBDDQPGKNHU-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228133;MM228133;CC(O)(C#N)CCC(N)=O;OQPGNUBQHGQOKU-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228134;MM228134;N=c1nc(O)n(N)cc1F;YZEJIIKKLLEIGG-UHFFFAOYSA-N;144.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228135;MM228135;O=CC(=O)CC(=O)C(F)F;YOOUNNLZBKLGHQ-UHFFFAOYSA-N;150.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228136;MM228136;C=CC(C)(O)CCC(=C)F;OGSWYTCJZYHBIV-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228137;MM228137;C=C(F)CCC(C)(O)C=O;PEDIENPPDPKVFG-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228138;MM228138;C=C(F)CCC(C)(O)C#N;DASHVWWTWDJDIW-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228139;MM228139;C=CC(C)(F)CCC(=C)C;NEQFUWMWEBESSD-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228140;MM228140;C=C(C)CCC(C)(F)C=O;XHACPKFLONMCIN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228141;MM228141;C=C(C)CCC(C)(F)C#N;COFVAORQDIIDAA-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228142;MM228142;C=CC(C)(F)CCC(C)=O;SMUFPMCAHMOLFW-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228143;MM228143;CC(=O)CCC(C)(F)C=O;RQQGLYYGPLSJGO-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228144;MM228144;CC(=O)CCC(C)(F)C#N;UDZUEORLJZBUOJ-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228145;MM228145;CC(F)(C=O)CCC(=N)N;NOZDDJCCPPLRKH-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228146;MM228146;CC(F)(C#N)CCC(N)=O;DFZDVHKXKLRPPM-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228147;MM228147;C=CC(C)(F)CCC(=O)O;LIXBMWKZGAMJFT-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228148;MM228148;C=CC(C)(F)CCC(=C)F;YZGYOGBRQFUDBX-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228149;MM228149;C=C(F)CCC(C)(F)C#N;CTRXBAFSFVEZEK-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228150;MM228150;C=CC(F)(F)CCC(=C)C;PYEWIDARIMKEGC-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228151;MM228151;CC(=O)CCC(F)(F)C#N;VIJKAHYTBBQBCA-UHFFFAOYSA-N;147.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228152;MM228152;C=CC(F)(F)CCC(N)=O;STCURNUAJXPCGF-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228153;MM228153;N#CC(F)(F)CCC(=O)O;WGBQPRSYMKJIRM-UHFFFAOYSA-N;149.1;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228154;MM228154;C=CC(C)(C)CNC(C)=N;DBPZCIMCDZJKNA-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228155;MM228155;CC(=N)NCC(C)(C)C=O;GOMPMLYSQUQNNK-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228156;MM228156;CC(=N)NCC(C)(C)C#N;FJKRAWPDQCGIFV-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228157;MM228157;CCCNC(=O)N(N)C=O;BDUWRQNPDJKVLK-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228158;MM228158;CC(C)(C=O)CNC(=N)N;FKQNOHQYVQEIMY-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228159;MM228159;CC(C)(C#N)CNC(=N)N;PMOXPRKGQZXEBZ-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228160;MM228160;C=CC(C)(C)CNC(N)=O;WSBKTBNKKWRBRN-UHFFFAOYSA-N;142.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228161;MM228161;CC(C)(C=O)CNC(N)=O;HBZOWVHVEIBNSS-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228162;MM228162;C=CC(C)(N)CNC(=N)N;TXVNTLOMYADKTL-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228163;MM228163;C=CC(C)(N)CNC(N)=O;ITOAEEFWYANXFM-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228164;MM228164;CC(=N)NCC(C)(O)C=O;FJAOUWZZKCZRCS-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228165;MM228165;CC(=N)NCC(C)(O)C#N;DIYNKDXVUMFERN-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228166;MM228166;CC(=O)NCC(C)(O)C=O;QCWQOGTUIJJEQL-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228167;MM228167;CC(=O)NCC(C)(O)C#N;JUKSLZIIDVTPIE-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228168;MM228168;C=CC(C)(O)CNC(=N)N;WKJSGZLAOOPUKJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228169;MM228169;C=CC(C)(O)CNC(N)=O;WCKYXCRAAUYWBI-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228170;MM228170;CC(O)(C=O)CNC(N)=O;AOZKDKGBCOSNSA-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228171;MM228171;C=CC(C)(F)CNC(C)=N;YAAKYHVPFQDYMR-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228172;MM228172;CC(=N)NCC(C)(F)C=O;WZEKRQLUIOTYSO-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228173;MM228173;C=CC(C)(F)CNC(C)=O;XSRTWFFIZOUVKJ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228174;MM228174;CC(=O)NCC(C)(F)C=O;VLQYAOPPEYEOBZ-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228175;MM228175;C=CC(F)(F)CNC(C)=N;SXAYAZAJURFUQC-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228176;MM228176;C=CC(C)(C)COC(=C)C;YAGVBUTXRHEUOF-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228177;MM228177;C=C(C)OCC(C)(C)C=O;VHPNBTWNHMFYST-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228178;MM228178;C=C(C)OCC(C)(C)C#N;MBKNDVPXSAEMPA-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228179;MM228179;C=CC(C)(C)COC(C)=O;QNUFWHGRCFSIJC-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228180;MM228180;CC(=O)OCC(C)(C)C=O;GXYDISAHHSQZRO-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228181;MM228181;CC(=O)OCC(C)(C)C#N;JQSWZPFIQAZQFB-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228182;MM228182;C=CC(C)(C)COC(=N)N;DSGKKRBPQXUADW-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228183;MM228183;CC(C)(C=O)COC(=N)N;CUMXLILZACEHMO-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228184;MM228184;C=CC(C)(C)COC(N)=O;BKQQYIGKXVQOLV-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228185;MM228185;C=CC(C)(N)COC(=C)C;YFGHUOJJYRJQMF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228186;MM228186;C=CC(C)(N)COC(N)=O;NHFHBPBAAWKOTP-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228187;MM228187;C=CC(C)(O)COC(=C)C;OLFMVCAJNSGDTL-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228188;MM228188;C=C(C)OCC(C)(O)C#N;ACTSEFMXIWLXHR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228189;MM228189;C=CC(C)(O)COC(C)=O;HWNQZPLWTAKFSU-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228190;MM228190;CC(=O)OCC(C)(O)C=O;LFEZHECTLLXNLV-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228191;MM228191;CC(=O)OCC(C)(O)C#N;RGCYRXHJSPIGGU-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228192;MM228192;C=CC(C)(O)COC(=N)N;ZVPTVLWVLHTLCH-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228193;MM228193;CC(O)(C=O)COC(=N)N;OIYWKFXUBXHWQM-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228194;MM228194;CC(O)(C#N)COC(=N)N;QNNAEHGCKSSJEE-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228195;MM228195;C=CC(C)(O)COC(N)=O;UMLJCBGAGDDNFJ-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228196;MM228196;C=C(C)OCC(C)(F)C#N;PRZCQDOHBORDAS-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228197;MM228197;C=CC(C)(F)COC(C)=O;XLUNOJWCZJOXEY-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228198;MM228198;C=CC(C)(F)COC(N)=O;VGVHQWUNNFUMLS-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228199;MM228199;CC(F)(C#N)COC(N)=O;UOTHDFDOAFBNRO-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228200;MM228200;C=CC(F)(F)COC(=C)C;WPMCKQDELHCVCG-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228201;MM228201;N#CC(F)(F)COC(N)=O;IYSQTZQMDPHTIW-UHFFFAOYSA-N;150.08;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228202;MM228202;C=CC(C)(C)NCC(=C)C;IIVOOJKICYZAEB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228203;MM228203;C=C(C)CNC(C)(C)C#N;CHIWVCMCESCNLR-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228204;MM228204;CC(C)(C=O)NCC(=N)N;DVOWQQBWFMUPEJ-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228205;MM228205;CC(C)(C#N)NCC(=N)N;MWSWROASEMRASR-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228206;MM228206;CC(CO)OCOC=NN;LQNCTISLGPSUDS-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228207;MM228207;O=c1nc(O)nnn1O;PCARKIWSPSOPRS-UHFFFAOYSA-N;130.06;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228208;MM228208;C=CC(C)(C)NNC(C)=N;MIGOWOKAOYATJL-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228209;MM228209;CC(C)(C#N)NNC(=N)N;DMBBBTVUQFGIOY-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228210;MM228210;CC=NOCOC(C)CO;CTAQZJMDXRABPT-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228211;MM228211;CC(C)(C=O)NNC(N)=O;GSNYFTMMIVSSML-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228212;MM228212;CC(C)(C#N)NNC(N)=O;PYEDSIHMQMSFGP-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228213;MM228213;C=CC(C)(C)OCC(=C)C;GJKLDTKCGXLUDH-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228214;MM228214;C=C(C)COC(C)(C)C=O;HMGZLJMXVQDMIU-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228215;MM228215;C=C(C)COC(C)(C)C#N;LYKOPWOMGKYEEY-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228216;MM228216;C=CC(C)(C)OCC(=N)N;GBEHJQNNQSBIRH-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228217;MM228217;CC(C)(C=O)OCC(=N)N;BHCLGFLPHMPZTK-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228218;MM228218;C=C(F)COC(C)(C)C#N;PCJYEMCJGGTNIR-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228219;MM228219;C=CC(C)(C)ONC(C)=O;ZCCUPNDBWRHAKB-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228220;MM228220;C=CC(C)(C)ONC(N)=O;PECWQLNTUZDNGF-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228221;MM228221;C#CC(C)(C)CCC(=C)C;GFZDHQQVOCVRGC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228222;MM228222;C#CC(C)(C)CCC(C)=O;BURLVODQCMCYPC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228223;MM228223;N=C(C=NOCCO)NO;DRUJHLXSTVBBMN-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228224;MM228224;C#CC(C)(C)CCC(=C)F;VUFYGHZJQHEROH-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228225;MM228225;C#CC(C)(N)CCC(=C)C;LDTHAAVVCVIZJU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228226;MM228226;C#CC(C)(N)CCC(=N)N;XMCLQXBIHPXRRE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228227;MM228227;C#CC(C)(N)CCC(=C)F;XGEVPNKYDZCQNR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228228;MM228228;C#CC(C)(O)CCC(=C)C;KEKCNIKAJXIHNY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228229;MM228229;C#CC(C)(O)CCC(=C)F;VJXVSXGGJZBCOK-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228230;MM228230;C#CC(C)(F)CCC(=C)C;PCYUSEURMYFEJN-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228231;MM228231;C#CC(C)(F)CCC(C)=O;QXEYSRQRBNGXDM-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228232;MM228232;C#CC(C)(F)CCC(=C)F;VFLQZUKYEBJVMY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228233;MM228233;C#CC(F)(F)CCC(=C)C;XAEKYVAKUYLIIA-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228234;MM228234;C#CC(F)(F)CCC(C)=O;YDTJJRTUTJSXNT-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228235;MM228235;C#CC(C)(C)CNC(C)=N;IBUTXFFQULKFBB-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228236;MM228236;COC(CO)CCC=NN;VGXBVNYJANQROQ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228237;MM228237;C#CC(C)(C)CNC(=N)N;TWNGYHSYYZAEFR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228238;MM228238;C#CC(C)(C)CNC(N)=O;QZFNVZYOLNKQTG-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228239;MM228239;C#CC(C)(N)CNC(C)=N;CXTYDIGSKDIFGH-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228240;MM228240;C#CC(C)(N)CNC(=N)N;WCNPBTDRVNZWPZ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228241;MM228241;C#CC(C)(N)CNC(N)=O;AYFHXOYBTYLNLD-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228242;MM228242;C#CC(C)(O)CNC(=N)N;QTWZXWLHUJRKEU-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228243;MM228243;C#CC(C)(O)CNC(N)=O;APLGOJSTPCQSRK-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228244;MM228244;C#CC(C)(F)CNC(C)=N;WXLIKSPMLBVBMZ-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228245;MM228245;C#CC(C)(F)CNC(C)=O;UPCCBSBDIWWZPA-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228246;MM228246;C#CC(C)(F)CNC(=N)N;GYBMOZNPLGDGMQ-UHFFFAOYSA-N;143.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228247;MM228247;C#CC(C)(F)CNC(N)=O;DSUXFNCGRUHIOW-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228248;MM228248;C#CC(C)(C)COC(=C)C;QUCZYFJXRKKIRR-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228249;MM228249;C#CC(C)(C)COC(C)=O;WPVSUBZZPAHCDQ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228250;MM228250;C#CC(C)(C)COC(N)=O;VIVLWAHPABDKPT-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228251;MM228251;C#CC(C)(N)COC(=C)C;IPVCEYUKDGFYBQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228252;MM228252;C#CC(C)(N)COC(=N)N;CQQVDTLXJDCUHN-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228253;MM228253;C#CC(C)(O)COC(=N)N;LSYZNZPGPUAXAW-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228254;MM228254;C#CC(C)(F)COC(=C)C;CWPWMZCNWCNNNT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228255;MM228255;C#CC(C)(F)COC(C)=O;SHNJCDUWPNZYBY-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228256;MM228256;C#CC(C)(F)COC(N)=O;TZMIEYOJCCMPMN-UHFFFAOYSA-N;145.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228257;MM228257;C#CC(F)(F)COC(N)=O;XSXIMWYCZFBOQL-UHFFFAOYSA-N;149.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228258;MM228258;C#CC(C)(C)NNC(C)=N;OYDBCWMHBXIXCL-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228259;MM228259;O=CC=NNC(CO)CO;CGIPRGBETUZQHM-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228260;MM228260;C#CC(C)(C)OCC(=C)C;GWNCZOQFVDPJFD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228261;MM228261;C#CC(C)(C)OCC(C)=O;HCPRNBJLSULIKN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228262;MM228262;C#CC(C)(C)OCC(=N)N;QGJPVJDPKWUVQU-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228263;MM228263;N=c1nc(F)cnc(=O)[nH]1;DSXGFEXRMPAVQW-UHFFFAOYSA-N;142.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228264;MM228264;C#CC(C)(C)ONC(C)=N;XHKIDYOQVPZISU-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228265;MM228265;C#CC(C)(C)ONC(=N)N;RLQOPNCATNLCBP-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228266;MM228266;CCC(C)(C)C=CC(C)C;DVMDWAUQCLMQJE-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228267;MM228267;CC(C)C=CC(C)(C)CN;FOTUSUNDCJKZBZ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228268;MM228268;NN=C(COCCO)NO;WLCKXMMBHQMFGP-UHFFFAOYSA-N;149.15;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228269;MM228269;CC(C)C=CC(C)(C)CF;FSTKIPHQFPIBRE-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228270;MM228270;CCC(C)(C)C=CC(C)N;UMXZGAUKNUKOGU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228271;MM228271;CC(N)C=CC(C)(C)CN;CXMDKKXKHXDNDU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228272;MM228272;CC(N)C=CC(C)(C)CO;ZCFGSOPMQMEMIG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228273;MM228273;CC(N)C=CC(C)(C)CF;UNGLPPHLYAOHNB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228274;MM228274;CCC(C)(C)C=CC(C)O;YFKKJNDJRATIIV-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228275;MM228275;CC(O)C=CC(C)(C)CN;IPPURBCDDYAXJX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228276;MM228276;NN=CN(N)C(CO)CO;YCGCWWWYKXABKH-UHFFFAOYSA-N;148.17;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228277;MM228277;CC(O)C=CC(C)(C)CF;OLXBSSUXMDYLLF-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228278;MM228278;CCC(C)(C)C=CC(C)F;SXKLSEAMNDYJNA-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228279;MM228279;CC(F)C=CC(C)(C)CN;BAKISUPTESBVDT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228280;MM228280;CCC1(CO)CN1CCO;LQIAGASYTGWOAP-UHFFFAOYSA-N;145.2;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228281;MM228281;CC(C)(C=CC(F)F)CN;INVKJHZSFPRDLJ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228282;MM228282;CCC(C)(N)C=CC(C)C;NVQDHHPKMGWVCG-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228283;MM228283;CC(C)C=CC(C)(N)CN;UKJJEWFJFMJXRX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228284;MM228284;CC(C)C=CC(C)(N)CF;WJYGMULIDJLBCM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228285;MM228285;CCC(C)(N)C=CC(C)N;KMJBJKDDRVRQGS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228286;MM228286;CC(N)C=CC(C)(N)CN;JUNQMODNQSQKBV-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228287;MM228287;CCC(C)(N)C=CC(C)O;KAVWNZLWSPJCEJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228288;MM228288;CC(O)C=CC(C)(N)CN;XAHHTMGLUFTJPQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228289;MM228289;CC(O)C=CC(C)(N)CO;VRRMLLDZNOGKFR-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228290;MM228290;CCC(C)(N)C=CC(C)F;ZHRIDNLWQLWQDH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228291;MM228291;CC(F)C=CC(C)(N)CN;NRYBORJEVYQJGD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228292;MM228292;CC(F)C=CC(C)(N)CF;BIVKOHRCRYKLMY-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228293;MM228293;CC(N)(C=CC(F)F)CN;LRTRRDJVYWBZKP-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228294;MM228294;C=CC1(CO)NC1CCC;RPPFCEWSRKXGPZ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228295;MM228295;CC(C)C=CC(C)(O)CO;PJICLCHNEWQMTB-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228296;MM228296;CC(C)C=CC(C)(O)CF;LKXXSIWTTQSIDV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228297;MM228297;CCC(C)(O)C=CC(C)N;GXLBDVVZLDURJT-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228298;MM228298;CC(N)C=CC(C)(O)CO;IEMAQTCBKVMMJM-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228299;MM228299;CC(N)C=CC(C)(O)CF;BHKHFZFKABHXQI-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228300;MM228300;CCC(C)(O)C=CC(C)O;PXOWREYYJJETRU-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228301;MM228301;CC(O)C=CC(C)(O)CN;KHQUGTJFMGQJDR-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228302;MM228302;CCC(C)(O)C=CC(C)F;VILYPVALAIJNQG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228303;MM228303;CC(F)C=CC(C)(O)CO;IHFIORRCTCPLNG-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228304;MM228304;CC(F)C=CC(C)(O)CF;PRZPYJBTEKIADX-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228305;MM228305;CCC(C)(F)C=CC(C)C;PVTBQCDIPUYELB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228306;MM228306;CC(C)C=CC(C)(F)CN;DXFOGVHTJSMSPW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228307;MM228307;CC(C)C=CC(C)(F)CF;ZRMWEBDFSVRWKE-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228308;MM228308;CCC(C)(F)C=CC(C)N;FMJCHFYRRPXPDQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228309;MM228309;CC(N)C=CC(C)(F)CO;QLYCZSWGWGMCMH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228310;MM228310;CC(N)C=CC(C)(F)CF;SXVLMKVPRAJYSE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228311;MM228311;CCC(C)(F)C=CC(C)F;UQFGCLYONHMEDV-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228312;MM228312;CC(F)C=CC(C)(F)CN;ZMFDNDHOGLTCQL-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228313;MM228313;CCC(F)(F)C=CC(C)C;KKHJFQDPZRCZJQ-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228314;MM228314;CC(C)C=CC(F)(F)CO;IWWMUWSWRYIUPH-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228315;MM228315;CCC(F)(F)C=CC(C)N;LXXCTSBBLLLMSM-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228316;MM228316;CC(N)C=CC(F)(F)CO;ASUYFVQRZGTVLO-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228317;MM228317;CCC(F)(F)C=CC(C)O;XHVBDTVZXRHPOX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228318;MM228318;CNC(C)(C)C=CC(C)C;WUKUNJUHPMNNGL-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228319;MM228319;CNC(C)(C)C=CC(C)N;LSSTYZBIXQWNES-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228320;MM228320;CNC(C)(C)C=CC(C)O;VTRQMGDNNAMOSU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228321;MM228321;CNC(C)(C)C=CC(C)F;RVEOIAIOSNZIHY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228322;MM228322;COC(C)(C)C=CC(C)C;OKGVIGGIBJCDAO-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228323;MM228323;COC(C)(C)C=CC(C)N;JOMKYBGZQXDYIN-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228324;MM228324;COC(C)(C)C=CC(C)O;SCHZEPJDVDENMB-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228325;MM228325;COC(C)(C)C=CC(C)F;YJVUGUYVZDDWMN-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228326;MM228326;CCC(C)(C)C=NN(C)C;VZKRBBWDSGWLDE-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228327;MM228327;CN(C)N=CC(C)(C)CF;NXGGWAAGOWZSTL-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228328;MM228328;CCC(C)(N)C=NN(C)C;VFDNTZZQCYIQST-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228329;MM228329;C=NN1CC2NC2(CO)C1;MTZBSAONRFYSOB-UHFFFAOYSA-N;141.17;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228330;MM228330;CCC(C)(F)C=NN(C)C;JSVFFVKIRAVIMX-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228331;MM228331;CC1C=CC2(CO)NC2C1;KHQNJWBMFWCLEN-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228332;MM228332;CN(C)C=NC(C)(C)CF;BLRXQCKQGUYUSN-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228333;MM228333;C=CC(C)(C)C=CC(C)C;VNYYXBHGXNAJED-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228334;MM228334;CC(C)C=CC(C)(C)C#N;QLFAVAQHBHLUJP-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228335;MM228335;C=CC(C)(C)C=CC(C)N;MGBRZGFZRFERAK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228336;MM228336;OCC12C=CC(F)CC1N2;CQLNMOMYWATYEC-UHFFFAOYSA-N;143.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228337;MM228337;C=C1C=CC2(CO)NC2C1;DESCKWOZFYEIGM-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228338;MM228338;C=CC(C)(C)C=CC(C)F;VVMWJUCZXVMQDM-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228339;MM228339;CC(F)C=CC(C)(C)C#N;XSEMVYXWKCZKFU-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228340;MM228340;C=CC(C)(N)C=CC(C)C;WHNVPAXHDIPRPO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228341;MM228341;C=CC(C)(N)C=CC(C)N;FTIJKORBLYVCTN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228342;MM228342;C=CC(C)(N)C=CC(C)O;DAFABEIAGHJNQD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228343;MM228343;C=CC(C)(N)C=CC(C)F;XJNFBJNPNPZELS-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228344;MM228344;OCC=NOCOCCO;WUYZDVWTWURIQX-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228345;MM228345;CC(C)C=CC(C)(O)C#N;HAFLGKVRWWOYCV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228346;MM228346;C=CC(C)(O)C=CC(C)O;IVXFCDRJRCYMKB-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228347;MM228347;C=CC(C)(O)C=CC(C)F;HQBTULFQNQPSJU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228348;MM228348;C=CC(C)(F)C=CC(C)C;SGAKVJBGYPRVGI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228349;MM228349;CC(C)C=CC(C)(F)C=O;NDNWSWQSTOBEIS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228350;MM228350;CC(C)C=CC(C)(F)C#N;JSCQKKPZMIBCJG-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228351;MM228351;CC(C)C=CC(F)(F)C=O;MWSMGGIGYJSKOX-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228352;MM228352;C=CC(F)(F)C=CC(C)O;PTPXMDRETFUJRU-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228353;MM228353;C=CC(C)(C)C=NN(C)C;JTCAQMQTFUPRLI-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228354;MM228354;CN(C)N=CC(C)(C)C=O;FXKXHPOXANTBNR-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228355;MM228355;CN(C)N=CC(C)(C)C#N;XXHNZWVDZPVMEY-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228356;MM228356;COC(CO)CCN1CC1;CXTVJMJMIJMSQB-UHFFFAOYSA-N;145.2;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228357;MM228357;C=CC(C)(F)C=NN(C)C;CWDBLTRRTXWXAD-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228358;MM228358;C=CC(C)(C)N=CN(C)C;HKLIHZNKCXUKCT-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228359;MM228359;CN(C)C=NC(C)(C)C#N;JQPGNIOKJAYXID-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228360;MM228360;C#CC(C)(C)C=CC(C)C;BMHBFUNELQRZOG-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228361;MM228361;C#CC(C)(C)C=CC(C)O;HNIYQSCVMCDILG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228362;MM228362;C#CC(C)(C)C=CC(C)F;XJZKUQABMSMNGM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228363;MM228363;C#CC(C)(N)C=CC(C)C;LRIOOQHZBMTGJM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228364;MM228364;C#CC(C)(O)C=CC(C)C;VJAREBXVVOPYPT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228365;MM228365;C#CC(C)(O)C=CC(C)O;RYJKZLNUEYMKQX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228366;MM228366;C#CC(C)(F)C=CC(C)C;SEGJLFZZDCLPEN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228367;MM228367;C#CC(C)(F)C=CC(C)N;JPGBCNIWDSJPNS-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228368;MM228368;C#CC(C)(C)C=NN(C)C;BLLXDIKPQIOLQN-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228369;MM228369;C#CC(C)(F)C=NN(C)C;MMFNRQJDRDIHHY-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228370;MM228370;C#CC(C)(C)N=CN(C)C;XGYMHXKRKZWNKL-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228371;MM228371;CCC1C=CC2(CO)NC12;ZCTUYGOEGCTBIX-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228372;MM228372;C=C(C)C=CC(C)(C)CC;VRMILMMWVWIOFQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228373;MM228373;C=C(C)C=CC(C)(C)CN;CGPFEHZEGBTVTJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228374;MM228374;C=CC1C=CC2(CO)NC12;VWUYFEIIKSKPAW-UHFFFAOYSA-N;137.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228375;MM228375;C=C(C)C=CC(C)(C)CF;NIUOHGVPZNNJKV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228376;MM228376;CCC(C)(C)C=CC(C)=O;RSSBZIDVGUCXQA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228377;MM228377;O=CC1C=CC2(CO)NC12;DPCQRRJUSSOJQR-UHFFFAOYSA-N;139.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228378;MM228378;CC(=O)C=CC(C)(C)CF;RMNTYBXGWWBURA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228379;MM228379;CCC(C)(C)C=CC(=N)N;CVOYVGHBQROYMO-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228380;MM228380;CC(C)(C=CC(=N)N)CN;YGVQJKDZNQPKBT-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228381;MM228381;CC(C)(C=CC(=N)N)CF;NWTJNEPKKXTTHO-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228382;MM228382;N#CC1C=CC2(CO)NC12;UQEAQIBYGXDALM-UHFFFAOYSA-N;136.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228383;MM228383;C=CC1C=CC2(CO)CN12;NEBHYBOONLEAJC-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228384;MM228384;CCC(C)(C)C=CC(=O)O;IBTARNALMVBJSI-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228385;MM228385;N=c1ncc(F)nc(=O)[nH]1;OSQIQBHXFGELBL-UHFFFAOYSA-N;142.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228386;MM228386;CC(C)(C=CC(=O)O)CF;OERBEDKVCWYEMN-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228387;MM228387;O=CC1C=CC2(CO)CN12;WAPZFMVUBVGMPB-UHFFFAOYSA-N;139.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228388;MM228388;C=C(C)C=CC(C)(N)CC;UVDVBNPENYIWCU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228389;MM228389;C=C(C)C=CC(C)(N)CN;KSLCQNKKHUMTPM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228390;MM228390;C=C(C)C=CC(C)(N)CF;PHKNJIPTNMMAJG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228391;MM228391;CC(N)(C=CC(=N)N)CO;FMOHUUBETHOKDK-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228392;MM228392;CC(N)(C=CC(N)=O)CO;LJPGWFHZRDEAJL-UHFFFAOYSA-N;144.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228393;MM228393;CC(N)(C=CC(N)=O)CF;MTWGMJWQYIWJFF-UHFFFAOYSA-N;146.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228394;MM228394;C#CC1C=CC2(CO)NC12;BDDHQCMAVHQFHN-UHFFFAOYSA-N;135.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228395;MM228395;C=C(C)C=CC(C)(O)CO;QXYKUDBTRKMMJJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228396;MM228396;CCC(C)(O)C=CC(C)=O;XTEOFRNZEUMUJT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228397;MM228397;CC(O)(C=CC(=N)N)CN;HSJAGLOMHAHJFH-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228398;MM228398;CC(O)(C=CC(=N)N)CO;IGPBYESXWDGLLE-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228399;MM228399;CC(O)(C=CC(N)=O)CN;GYJDHNOAKKASRK-UHFFFAOYSA-N;144.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228400;MM228400;CC(O)(C=CC(N)=O)CO;WXJNFJBZVLWRRF-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228401;MM228401;CC(O)(C=CC(N)=O)CF;OPGMFLGQVUYCHH-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228402;MM228402;CC=C(CCC(=O)O)OC;XMGHIPCKNQMQLG-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228403;MM228403;C=C(C)C=CC(C)(F)CC;UOCMSYNPKJBEQO-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228404;MM228404;C=C(C)C=CC(C)(F)CN;VZHNYQNOAPLCSU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228405;MM228405;CCC(C)(F)C=CC(C)=O;VBJREUDKVZCXSM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228406;MM228406;CCC(C)(F)C=CC(=N)N;YTGBXMCLXKATIN-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228407;MM228407;CC(F)(C=CC(=N)N)CO;YERUWMZSIZMGKB-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228408;MM228408;CC(F)(C=CC(=N)N)CF;SNEPGWGMBGYAMZ-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228409;MM228409;CC(F)(C=CC(N)=O)CO;VDYSKSZLWQDRGR-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228410;MM228410;C#CC1C=CC2(CO)CN12;DDFPILAWJRINTL-UHFFFAOYSA-N;135.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228411;MM228411;CCC(C)(F)C=CC(=O)O;CAZNFRZTUQNRCH-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228412;MM228412;CC(F)(C=CC(=O)O)CF;RWSGXLVWYZPLRL-UHFFFAOYSA-N;150.12;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228413;MM228413;C=C(F)C=CC(C)(F)CC;KRYJMVYAHWPHIM-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228414;MM228414;C=C(F)C=CC(C)(F)CN;XBJGSGLZCCYUQD-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228415;MM228415;CCC(F)(F)C=CC(C)=O;JEZPXNBGFAVGOS-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228416;MM228416;NC(=O)C=CC(F)(F)CO;KXKKFSFRCGYTIA-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228417;MM228417;C=C(C)C=CC(C)(C)NC;WAZDPCPINFRMEW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228418;MM228418;CNC(C)(C)C=CC(C)=O;RXAGAUZBRWAMMT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228419;MM228419;C=C(F)C=CC(C)(C)NC;NSMDRLMMJYDMJT-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228420;MM228420;C=C(C)C=CC(C)(C)OC;OKRFHTCRGXKIEP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228421;MM228421;COC(C)(C)C=CC(C)=O;AQFIHMSMZDIMFU-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228422;MM228422;COC(C)(C)C=CC(=N)N;NSYQOIGENQBNDJ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228423;MM228423;C=CC1(CO)NC1C1CC1;FZDLSJJDADUMML-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228424;MM228424;CONC(=O)C(C)C#N;OWZGDHXLZVBGIX-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228425;MM228425;C=C(F)C=CC(C)(C)OC;VEBFIQDGTVFDRC-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228426;MM228426;C=CC(C)(C)C=CC(=C)C;BYLJEQIUXOYKOB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228427;MM228427;C=C(C)C=CC(C)(C)C=O;KCQBRFGQEVUNON-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228428;MM228428;C=C(C)C=CC(C)(C)C#N;PYUQRHXXBCRLHI-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228429;MM228429;C=CC(C)(C)C=CC(C)=O;VYHJSROXILTTKJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228430;MM228430;CC(=O)C=CC(C)(C)C=O;RNMWIFMDFAPTAP-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228431;MM228431;CC(=O)C=CC(C)(C)C#N;SZUFMOFVFWKSIG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228432;MM228432;C=CC(C)(C)C=CC(=N)N;YZBDRJZMIPUEOT-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228433;MM228433;CC(C)(C#N)C=CC(=N)N;SJIOZTKZHCOGPJ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228434;MM228434;C=NN1CC1C1(CO)CN1;OYZVLAQATHXSMH-UHFFFAOYSA-N;141.17;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228435;MM228435;C=Cc1cnc(N)o1;YOTWUNXDONIOSO-UHFFFAOYSA-N;110.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228436;MM228436;CN=c1nnn(O)c(=O)[nH]1;DRKQYYYVSJXLNY-UHFFFAOYSA-N;143.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228437;MM228437;C=CC(C)(C)C=CC(=C)F;OOZAPUGFAJBUAK-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228438;MM228438;C=C(F)C=CC(C)(C)C#N;UUIGPQZAMIQLRK-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228439;MM228439;C=CC(C)(N)C=CC(=C)C;NAGGNFOLQUCFEX-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228440;MM228440;C=CC(C)(N)C=CC(N)=O;HFVQOZDQRKUBJP-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228441;MM228441;CNN=C1CNC=N1;FCDSWJZBEYBHRU-UHFFFAOYSA-N;112.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228442;MM228442;C=CC(C)(O)C=CC(=N)N;CVWXPWPSSAYRKY-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228443;MM228443;CC(O)(C=O)C=CC(=N)N;LJLBNPCSOYTGFB-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228444;MM228444;CC(O)(C#N)C=CC(=N)N;WKQLUBWNZVKEDR-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228445;MM228445;COCC(C)CC(=O)O;IQJOSTZQDFYIJZ-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228446;MM228446;CC(C)C(C(=O)O)C(C)O;FZHDIRNCGBBUOS-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228447;MM228447;C=CC(C)(O)C=CC(=C)F;ANJGXLSKXWETPD-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228448;MM228448;C=C(C)C=CC(C)(F)C#N;SXQMDONFJZVPAA-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228449;MM228449;C=CC(C)(F)C=CC(C)=O;XJFUESGPGGVGFW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228450;MM228450;CC(F)(C=O)C=CC(=N)N;XYBYLXWGNUZJKL-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228451;MM228451;CC(F)(C#N)C=CC(=N)N;BXMGWHFPJCYDLX-UHFFFAOYSA-N;141.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228452;MM228452;CC(O)CN(O)C=NN;SSUBTWPGSRLCIS-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228453;MM228453;C=CC(F)(F)C=CC(=C)C;MKLRPVFAEHLCQL-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228454;MM228454;C=C(C)C=CC(F)(F)C=O;ZTTHEQNCWLPDPN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228455;MM228455;C=CC(F)(F)C=CC(=O)O;JGNJKKVQLFNGEC-UHFFFAOYSA-N;148.11;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228456;MM228456;CC(CO)C(C)(C)C(=O)O;JAWNVNQLJUMQCR-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228457;MM228457;C#CC(C)(C)C=CC(=C)C;LASFUEJFSUTUBN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228458;MM228458;C#CC(C)(C)C=CC(C)=O;ILDAVVRDVNHWKE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228459;MM228459;C#CC(C)(C)C=CC(=N)N;XQNHSTXIGKFERB-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228460;MM228460;CC1(CO)NC1C(N)=O;IUIDPPFBKYEHGB-UHFFFAOYSA-N;130.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228461;MM228461;C#CC(C)(C)C=CC(=C)F;LSZQTMMWVCKMPF-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228462;MM228462;C#CC(C)(N)C=CC(=C)C;POTSPRDJEDKUBR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228463;MM228463;C#CC(C)(N)C=CC(N)=O;OLVVQBRFHMAXDW-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228464;MM228464;C#CC(C)(O)C=CC(=N)N;PDMYPOHBSIGKJC-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228465;MM228465;C#CC(C)(F)C=CC(C)=O;YRZMNJNSDGRMSO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228466;MM228466;C#CC(F)(F)C=CC(=N)N;RTDRDCVJDHNWOY-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228467;MM228467;C#CC(F)(F)C=CC(N)=O;KPXBHDFTNFJSDB-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228468;MM228468;CCC(C)(C)C#CC(C)C;ABZIJTXMMNPQFH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228469;MM228469;CC(C)C#CC(C)(C)CN;LUSQFGQLVIEXFH-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228470;MM228470;CC(CO)OCC=NN;CZVKYAUFEQYOHF-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228471;MM228471;CC(C)C#CC(C)(C)CF;IMQJPHHTTOYKAA-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228472;MM228472;CCC(C)(C)C#CC(C)N;GZZAUKTYYZROCL-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228473;MM228473;CC(N)C#CC(C)(C)CF;JAFMTMBNEWKNNC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228474;MM228474;CCC(C)(C)C#CC(C)O;VPBIUXMUAXEDMK-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228475;MM228475;CC(O)C#CC(C)(C)CF;QMYXXCOVOIVBCY-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228476;MM228476;CCC(C)(C)C#CC(C)F;YGDAMNIACBWAGB-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228477;MM228477;CC(F)C#CC(C)(C)CN;QJKRAYWIAZKKCG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228478;MM228478;CC(F)C#CC(C)(C)CF;WHLYTYPDBMXSEB-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228479;MM228479;CCC(C)(C)C#CC(F)F;BZXBUJXVWIXIMP-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228480;MM228480;CC(C)(C#CC(F)F)CN;AKUFCBQBAFOPRE-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228481;MM228481;NN=C1CC2CC2(O)C1;MWKHWDHWMZSRRZ-UHFFFAOYSA-N;126.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228482;MM228482;CC(C)(C#CC(F)F)CF;KVSZHVPBCWCPRY-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228483;MM228483;CCC(C)(N)C#CC(C)C;WNHXIHPXZSWMJV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228484;MM228484;CC(C)C#CC(C)(N)CN;ZUJHBOMGHFXERM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228485;MM228485;CC(N)C#CC(C)(N)CO;OQTIJGACHGHWKX-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228486;MM228486;CC(O)C#CC(C)(N)CO;FCHIKJQRNGEUBL-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228487;MM228487;CCC(C)(N)C#CC(C)F;AZQDCEMZSYUOFY-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228488;MM228488;CC(F)C#CC(C)(N)CN;SJCPVUZFJCCHDC-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228489;MM228489;CCC(C)(N)C#CC(F)F;YVAPIZDLEXQGBO-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228490;MM228490;CCC(C)(O)C#CC(C)C;LWPJCQCRYRGSJU-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228491;MM228491;CC(C)C#CC(C)(O)CO;WSUBVYPYVQIRNT-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228492;MM228492;CC(C)C#CC(C)(O)CF;FZTNGOCQICVVCM-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228493;MM228493;CC(N)C#CC(C)(O)CN;JZCXCPWXNJYCOT-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228494;MM228494;CC(O)C#CC(C)(O)CN;CLYNBDFWDQXNEM-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228495;MM228495;CC(O)C#CC(C)(O)CO;DIHMOZXMGFBVDX-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228496;MM228496;CCC(C)(O)C#CC(C)F;FYOZKXBBDXZVPG-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228497;MM228497;CC(F)C#CC(C)(O)CN;XFCQLWDLNKXAPF-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228498;MM228498;CC(F)C#CC(C)(O)CF;DYYBUPVQZKTTOO-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228499;MM228499;CCC(C)(O)C#CC(F)F;RAYSDPHGXQIWAH-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228500;MM228500;CC(O)(C#CC(F)F)CN;RCCJKCGSKKRIBL-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228501;MM228501;CC(O)(C#CC(F)F)CF;JLYVYPOGQOKRGN-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228502;MM228502;CCC(C)(F)C#CC(C)C;AAIWTRATKRPCFU-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228503;MM228503;CC(C)C#CC(C)(F)CN;POVNDJMHUAADLF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228504;MM228504;CC(C)C#CC(C)(F)CO;KZZIFBYMPRLFPG-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228505;MM228505;CCC(C)(F)C#CC(C)N;LJFWUMLQIYAEMH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228506;MM228506;CC(N)C#CC(C)(F)CN;NZVJUIHHWDIVLH-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228507;MM228507;CCC(C)(F)C#CC(C)O;BYUCBOHHFJRJML-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228508;MM228508;CC(O)C#CC(C)(F)CN;IWRASJXNHLHPQE-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228509;MM228509;CCC(C)(F)C#CC(C)F;KDGANBMFIOGYMA-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228510;MM228510;CC(F)C#CC(C)(F)CN;GNJYOEIJILZQKX-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228511;MM228511;CC(F)C#CC(C)(F)CO;HKAWKPZCLRWFFL-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228512;MM228512;CC(F)C#CC(C)(F)CF;CUONAJRFEQCTEO-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228513;MM228513;CCC(C)(F)C#CC(F)F;FCGJDTUQOYOWLB-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228514;MM228514;CC(F)(C#CC(F)F)CN;KFOFQKFDYXIYMS-UHFFFAOYSA-N;151.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228515;MM228515;CC(F)(C#CC(F)F)CO;WUUJSJDTPPROJY-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228516;MM228516;CCC(F)(F)C#CC(C)O;UHMYFLMCFIAHOO-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228517;MM228517;CC(O)C#CC(F)(F)CO;VAVFVBPKWMNBJN-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228518;MM228518;CC(F)C#CC(F)(F)CO;OBLPIRHDLDNPFP-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228519;MM228519;CCC(F)(F)C#CC(F)F;LLQDVSZSLLTMJO-UHFFFAOYSA-N;154.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228520;MM228520;OCC(F)(F)C#CC(F)F;OPHXBLBHFSGLBA-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228521;MM228521;CNC(C)(C)C#CC(C)C;UNYKBKHRBCCQTJ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228522;MM228522;CNC(C)(C)C#CC(C)O;BFWAFVKCUWMSAH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228523;MM228523;CNC(C)(C)C#CC(F)F;UTIPGCIXPHPLFH-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228524;MM228524;COC(C)(C)C#CC(C)C;JLBUSAYWLAAFIY-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228525;MM228525;COC(C)(C)C#CC(C)F;VGCSJICGMGUTHW-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228526;MM228526;COC(C)(C)C#CC(F)F;YRRMWLSXLFBELC-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228527;MM228527;C=CC(C)(C)C#CC(C)C;MSYYYGREECVUNZ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228528;MM228528;CC(C)C#CC(C)(C)C=O;IWGRDGXDZXGOMA-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228529;MM228529;CC(C)C#CC(C)(C)C#N;JDCQCQXJZSLBTG-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228530;MM228530;C=CC(C)(C)C#CC(C)N;BIZUDXDDTUNKOE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228531;MM228531;C=CC(C)(C)C#CC(C)O;BPNJKPRDTJSSGZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228532;MM228532;C=CC(C)(C)C#CC(C)F;ACLHWEGUJLNFRN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228533;MM228533;CC(F)C#CC(C)(C)C=O;DKHCZKJLBGYPEB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228534;MM228534;CC(F)C#CC(C)(C)C#N;SRBDZLPKNMUJSD-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228535;MM228535;C=CC(C)(C)C#CC(F)F;XEHNVBRLCUSHKF-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228536;MM228536;CC(C)(C#CC(F)F)C=O;DPFAKZMDRZGMSZ-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228537;MM228537;CC(C)(C#N)C#CC(F)F;JQKACRSOJZSKTE-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228538;MM228538;C=CC(C)(N)C#CC(C)C;HQMZLPLMDQGFLZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228539;MM228539;C=CC(C)(N)C#CC(C)F;YGNNVHUTLVRLDQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228540;MM228540;C=CC(C)(N)C#CC(F)F;TUZCIFKCMIRXIW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228541;MM228541;C=CC(C)(O)C#CC(C)C;CDQOQFSWDBANBG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228542;MM228542;CC(C)C#CC(C)(O)C=O;CJHSLWOJDYMPKN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228543;MM228543;CC(C)C#CC(C)(O)C#N;HKXXFGIIWYTKRL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228544;MM228544;C=CC(C)(O)C#CC(C)F;QBIAICUQLINEEJ-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228545;MM228545;CC(F)C#CC(C)(O)C#N;UHUDNYZEDPKJQA-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228546;MM228546;C=CC(C)(O)C#CC(F)F;ZMOPPKMVYHIRPI-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228547;MM228547;CC(O)(C#CC(F)F)C=O;POFUWFHDYZOTAJ-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228548;MM228548;CC(O)(C#N)C#CC(F)F;WNQKSTUMPPQZAW-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228549;MM228549;C=CC(C)(F)C#CC(C)C;LFBNGFQAZQNGOD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228550;MM228550;CC(C)C#CC(C)(F)C=O;UZSCEKXUMYBYIN-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228551;MM228551;CC(C)C#CC(C)(F)C#N;XUUGPDNINCHBKG-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228552;MM228552;C=CC(C)(F)C#CC(C)N;PHXCDYAACKCHAY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228553;MM228553;C=CC(C)(F)C#CC(C)O;NHXAUSAHYMVQDR-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228554;MM228554;CC(O)C#CC(C)(F)C=O;LHWRBXHLJHTQNE-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228555;MM228555;CC(O)C#CC(C)(F)C#N;IMJRCPGYNVZBBD-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228556;MM228556;C=CC(C)(F)C#CC(C)F;CBQVBTHINLKBFI-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228557;MM228557;CC(F)C#CC(C)(F)C=O;SQQMIVZTWMMITQ-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228558;MM228558;CC(F)C#CC(C)(F)C#N;ILPKOPKWAAVWNU-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228559;MM228559;C=CC(C)(F)C#CC(F)F;UCEJNVXIHVRDMQ-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228560;MM228560;CC(F)(C#N)C#CC(F)F;MZPHHFXHRHSKCD-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228561;MM228561;CC(O)C#CC(F)(F)C#N;GRDHXSBNDXFJEG-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228562;MM228562;C=CC(F)(F)C#CC(F)F;DZOPFQQPLLOMCH-UHFFFAOYSA-N;152.09;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228563;MM228563;O=CC(F)(F)C#CC(F)F;MLTPFLICINCJQJ-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228564;MM228564;N#CC(F)(F)C#CC(F)F;BTQMRODSNXXHNQ-UHFFFAOYSA-N;151.06;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228565;MM228565;C#CC(C)(C)C#CC(C)C;RRAYALWUONSDFM-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228566;MM228566;C#CC(C)(C)C#CC(C)N;FYTKNDLFZTXATK-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228567;MM228567;C#CC(C)(C)C#CC(C)O;TYNGVRYFHPLQDD-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228568;MM228568;C#CC(C)(C)C#CC(C)F;ZWNLXVKNKHRMNX-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228569;MM228569;C#CC(C)(C)C#CC(F)F;NJWLHESFYXRIJM-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228570;MM228570;C#CC(C)(O)C#CC(C)C;OMTNRPAJQCTWIA-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228571;MM228571;C#CC(C)(O)C#CC(C)N;DGXOOTNONCPHSL-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228572;MM228572;C#CC(C)(O)C#CC(C)F;NVDSBJOYEAFYOX-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228573;MM228573;C#CC(C)(O)C#CC(F)F;FQDPAPDHKXEVOR-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228574;MM228574;C#CC(C)(F)C#CC(C)C;PYPXXCOEJHYAIW-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228575;MM228575;C#CC(C)(F)C#CC(C)N;XQNOUFRGISGFTI-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228576;MM228576;C#CC(C)(F)C#CC(C)O;JBMZNLANRNMGAI-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228577;MM228577;C#CC(C)(F)C#CC(C)F;CCWZNMYOPXKALQ-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228578;MM228578;C#CC(C)(F)C#CC(F)F;HYXOTILUMSJMDQ-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228579;MM228579;C#CC(F)(F)C#CC(C)N;NEHVGYXPOBPFNM-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228580;MM228580;C#CC(F)(F)C#CC(C)O;SZHLQNDUSABUAI-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228581;MM228581;C#CC(F)(F)C#CC(F)F;OUHSLDXCZGEACK-UHFFFAOYSA-N;150.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228582;MM228582;C=C(C)C#CC(C)(C)CC;ILCVBVZFYGSKQS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228583;MM228583;C=C(C)C#CC(C)(C)CN;XZNGFGOKAFJSQB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228584;MM228584;Nn1oc(=O)cc1CO;QXPIERYDZBTFNO-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228585;MM228585;C=C(C)C#CC(C)(C)CF;VNEWMWMAHUVKTC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228586;MM228586;CCC(C)(C)C#CC(C)=O;RWZREVVABLEXGY-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228587;MM228587;CC(=O)C#CC(C)(C)CO;UMAKUZCRYNTQLY-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228588;MM228588;CC(=O)C#CC(C)(C)CF;GLACARXLGJIJKR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228589;MM228589;CCC(C)(C)C#CC(=N)N;JCFBUTUZHOTXJQ-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228590;MM228590;CCC(C)(C)C#CC(N)=O;QEWXMTIXFFACQF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228591;MM228591;CC(C)(C#CC(N)=O)CN;PLQRHIDQMWKMSH-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228592;MM228592;CCC(C)(C)C#CC(=O)O;JCDBRZQOMSMDMV-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228593;MM228593;CC(C)(C#CC(=O)O)CF;LBGYNYBUAYXFMW-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228594;MM228594;C=C(F)C#CC(C)(C)CC;MWPSVOJRPOXHHV-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228595;MM228595;C=C(F)C#CC(C)(C)CN;ZJFFXGLGRMLHFF-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228596;MM228596;CC1C=CC2(CO)CN12;NMKDUJXMMYQHJQ-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228597;MM228597;C=C(F)C#CC(C)(C)CF;KWHJINNQRIDJGJ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228598;MM228598;C=C(C)C#CC(C)(N)CC;WQNROSFNOMLDDQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228599;MM228599;CC(N)(C#CC(=N)N)CN;PJPARYVXENROQX-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228600;MM228600;CC(N)(C#CC(=N)N)CO;QHRQPBGIQWCFMI-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228601;MM228601;CC(N)(C#CC(=N)N)CF;VFEGWVOFTRVIGQ-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228602;MM228602;CCC(C)(N)C#CC(N)=O;NSVPOXLWPFOXMH-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228603;MM228603;CC(N)(C#CC(N)=O)CN;CADNCISWLHIVPC-UHFFFAOYSA-N;141.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228604;MM228604;C=C(F)C#CC(C)(N)CC;WIOBMTIZGUTQNF-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228605;MM228605;C=C(F)C#CC(C)(N)CN;MJYPWGDQOHWTOF-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228606;MM228606;C=C(C)C#CC(C)(O)CC;VSSPEZDVPCUEIR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228607;MM228607;C=C(C)C#CC(C)(O)CF;MQELZIFVGQZVCS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228608;MM228608;CCC(C)(O)C#CC(C)=O;OWMXFBOSPVFWBU-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228609;MM228609;CCC(C)(O)C#CC(=N)N;GVIIYQYNFMQRGG-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228610;MM228610;CC(O)(C#CC(=N)N)CN;JYNXYCDVCDPHMI-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228611;MM228611;CC(O)(C#CC(=N)N)CO;WPWQKNINXANAJS-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228612;MM228612;CC(O)(C#CC(=N)N)CF;PIVAYFIBHZXBIS-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228613;MM228613;CCC(C)(O)C#CC(N)=O;ARNUYMPTKKLPCA-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228614;MM228614;CC(O)(C#CC(N)=O)CN;OJHNCHMTQCUWDQ-UHFFFAOYSA-N;142.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228615;MM228615;CC(O)(C#CC(N)=O)CO;GSZQFGGRPTXISM-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228616;MM228616;CC(O)(C#CC(N)=O)CF;KGMCELOUZCVPQM-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228617;MM228617;CC(O)CC(C)(C)C(=O)O;CZZXBXSPJIMZHO-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228618;MM228618;C=C(F)C#CC(C)(O)CC;FNZJQZZVHUOQGD-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228619;MM228619;C=C(F)C#CC(C)(O)CN;DHBLYFAGDPUUHK-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228620;MM228620;C=C(C)C#CC(C)(F)CC;GXPPNSQDOJNAQD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228621;MM228621;C=C(C)C#CC(C)(F)CN;KXDMNEBXDIFBMB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228622;MM228622;C=C(C)C#CC(C)(F)CO;HCPAHWLNHQLTPI-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228623;MM228623;C=C(C)C#CC(C)(F)CF;FSFOMZWPYGLGTR-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228624;MM228624;CCC(C)(F)C#CC(C)=O;YURIDMNNZKQXRH-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228625;MM228625;CC(=O)C#CC(C)(F)CO;XJZYQSVMOAADGR-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228626;MM228626;CC(=O)C#CC(C)(F)CF;WTEKFDUPHGSWIL-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228627;MM228627;CC(F)(C#CC(=N)N)CN;KFMZZLQYCBFOJI-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228628;MM228628;CC(F)(C#CC(=N)N)CO;QNFATPBDSQFZAE-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228629;MM228629;CC(F)(C#CC(N)=O)CO;ZVNJIHBWZQQISU-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228630;MM228630;CCC(C)(F)C#CC(=O)O;DKNAEVJNZKDCMM-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228631;MM228631;CCC(C)(CCO)C(=O)O;PKEYQXPTRKGUCN-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228632;MM228632;C=C(F)C#CC(C)(F)CC;HNKAQSDNHUHYCW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228633;MM228633;C=C(F)C#CC(C)(F)CN;UOTNILYFWPSHJP-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228634;MM228634;C=C(F)C#CC(C)(F)CF;UAZSORAUAIRWFX-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228635;MM228635;CCC(F)(F)C#CC(C)=O;WBQJKNGEPIPKEF-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228636;MM228636;NC(=O)C#CC(F)(F)CO;PVHNGZJCKMKACW-UHFFFAOYSA-N;149.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228637;MM228637;C=C(F)C#CC(F)(F)CO;WIABKMURKZWGGU-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228638;MM228638;C=C(C)C#CC(C)(C)NC;DICORTJFYDHXEF-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228639;MM228639;CNC(C)(C)C#CC(C)=O;PZWGJSOUARYTKS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228640;MM228640;CNC(C)(C)C#CC(N)=O;GHYYCCOWOLWTBI-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228641;MM228641;C=C(F)C#CC(C)(C)NC;RIFHHTLBNSUITK-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228642;MM228642;C=C(C)C#CC(C)(C)OC;UVEIJEQTRACCJH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228643;MM228643;COC(C)(C)C#CC(C)=O;XTWNOCNWAWDTIH-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228644;MM228644;O=C(O)CCC=CCCO;NPRSNCSLSZQBFX-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228645;MM228645;C=C(F)C#CC(C)(C)OC;JAELGNZQAZPJFA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228646;MM228646;C=CC(C)(C)C#CC(=C)C;RGUQVQRQOCRKEM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228647;MM228647;C=C(C)C#CC(C)(C)C=O;WXIUNEYOCAPXRM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228648;MM228648;C=C(C)C#CC(C)(C)C#N;BHKRAXGBTDWBLN-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228649;MM228649;C=CC(C)(C)C#CC(C)=O;YQWKOJKJSJPOSH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228650;MM228650;CC(=O)C#CC(C)(C)C=O;AVCYCNRJLMFPOV-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228651;MM228651;CC(=O)C#CC(C)(C)C#N;NHAYUYARWKFBIR-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228652;MM228652;C=CC(C)(C)C#CC(=N)N;HCEGLDBWAZCRLP-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228653;MM228653;CC(C)(C#N)C#CC(N)=O;QPRXRSSUFRQOQG-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228654;MM228654;C=CC(C)(C)C#CC(=O)O;TUSNPWKNKOPOAF-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228655;MM228655;CC(C)(CCCO)C(=O)O;SIHUIIZGFVJQFX-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228656;MM228656;CC(C)(C#N)C#CC(=O)O;FQMHGBATIGHSCN-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228657;MM228657;C=CC(C)(C)C#CC(=C)F;NQYPXTKUATZHTD-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228658;MM228658;C=C(F)C#CC(C)(C)C=O;RCAVLDQGSNUXOD-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228659;MM228659;C=C(F)C#CC(C)(C)C#N;UBRZOSDETZHPPI-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228660;MM228660;C=CC(C)(N)C#CC(=C)C;SLDFQARYVWOCBR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228661;MM228661;C=CC(C)(N)C#CC(=C)F;NEBCJLZXWYOBOQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228662;MM228662;C=CC(C)(O)C#CC(=C)C;HTPARUVOHUAHJL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228663;MM228663;C=C(C)C#CC(C)(O)C#N;QWROEBATKNQLSW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228664;MM228664;C=CC(C)(O)C#CC(C)=O;CQJRBXMEUCLCCZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228665;MM228665;CC(=O)C#CC(C)(O)C#N;RCJOEMCPYWOBIR-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228666;MM228666;C=CC(C)(O)C#CC(=N)N;ANBAAIXYJSAVNK-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228667;MM228667;CC(O)(C#CC(=N)N)C=O;HIGSFIMKAZBNRG-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228668;MM228668;CC(O)(C#N)C#CC(=N)N;GZBFKMTWEJGBPD-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228669;MM228669;C=CC(C)(O)C#CC(N)=O;LIBUILPJFGNAJN-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228670;MM228670;CC(O)(C#CC(N)=O)C=O;JOFPTIQMACGZCD-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228671;MM228671;CC(O)(C#N)C#CC(N)=O;RBSVTXJURRPUEU-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228672;MM228672;CC=C(CO)CCC(=O)O;CBDLZWXLWYWFHN-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228673;MM228673;OCc1nn[nH]n1;CHMNRJCRDOWYLX-UHFFFAOYSA-N;100.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228674;MM228674;C=CC(C)(O)C#CC(=C)F;QJDAIPXLJCZFLA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228675;MM228675;C=C(F)C#CC(C)(O)C=O;UASYJEGIURFJJD-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228676;MM228676;C=C(F)C#CC(C)(O)C#N;JTFXQXZHDJEJNY-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228677;MM228677;C=CC(C)(F)C#CC(=C)C;IMBGRTGDYBGOMX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228678;MM228678;C=C(C)C#CC(C)(F)C=O;WATREMLSSRIGJM-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228679;MM228679;C=C(C)C#CC(C)(F)C#N;PPBGVBQGMWEBFF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228680;MM228680;C=CC(C)(F)C#CC(C)=O;OJPZLNDWYJAUAI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228681;MM228681;CC(=O)C#CC(C)(F)C=O;KASQPIXFMOGQKI-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228682;MM228682;CC(=O)C#CC(C)(F)C#N;QUNYHMVOAWVAFM-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228683;MM228683;CC(F)(C#CC(=N)N)C=O;VWIVGFJLTMVCMK-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228684;MM228684;CC(F)(C#CC(N)=O)C=O;IKQJSVHFAIWUQF-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228685;MM228685;C=CC(C)(F)C#CC(=O)O;UCQSSGSVDXAEJA-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228686;MM228686;CC(F)(C#N)C#CC(=O)O;NMMZXMVINVUPKU-UHFFFAOYSA-N;141.1;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228687;MM228687;C=CC(C)(F)C#CC(=C)F;OTFHCFCWHNGNNK-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228688;MM228688;C=CC(F)(F)C#CC(C)=O;ZNZWDZXAFRBAFS-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228689;MM228689;CC(=O)C#CC(F)(F)C=O;JQPNXYHRMUCLQA-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228690;MM228690;CC(=O)C#CC(F)(F)C#N;CARQJMFRWHXBJX-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228691;MM228691;C=CC(F)(F)C#CC(=N)N;MMDMALMRHMIXRJ-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228692;MM228692;C=CC(F)(F)C#CC(N)=O;TZCDJGLQPXMNRS-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228693;MM228693;N#CC(F)(F)C#CC(=O)O;NSRHZEGEFQTEGH-UHFFFAOYSA-N;145.06;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228694;MM228694;C#CC(C)(C)C#CC(=C)C;XGWPBFFWEUAVPT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228695;MM228695;C#CC(C)(C)C#CC(C)=O;UBDHHERJKHUZQC-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228696;MM228696;C#CC(C)(C)C#CC(=N)N;XXUFQKLYMAGWLL-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228697;MM228697;C#CC(C)(C)C#CC(N)=O;YGMDHZVCFCBRHW-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228698;MM228698;C#CC(C)(C)C#CC(=O)O;HPDSHHAXTRPGRS-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228699;MM228699;C#CC(C)(C)C#CC(=C)F;YZLOSNVUUGPZHF-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228700;MM228700;C#CC(C)(N)C#CC(=N)N;MBQBGCKQTWEIDO-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228701;MM228701;C#CC(C)(O)C#CC(=C)C;LTCZUPRPUJPYGG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228702;MM228702;C#CC(C)(O)C#CC(=N)N;DVSRDCIQVFDTDD-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228703;MM228703;C#CC(C)(O)C#CC(N)=O;KARSQUNJIABSNM-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228704;MM228704;C#CC(C)(O)C#CC(=C)F;MMNMPWYOJWFZSC-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228705;MM228705;C#CC(C)(F)C#CC(=C)C;WDDQNGQMSKRPAO-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228706;MM228706;C#CC(C)(F)C#CC(C)=O;SQGMNFGWMUCCNI-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228707;MM228707;C#CC(C)(F)C#CC(=N)N;OJTHYRFKQGLMSI-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228708;MM228708;C#CC(C)(F)C#CC(N)=O;UROSMQNESWOIQY-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228709;MM228709;C#CC(C)(F)C#CC(=O)O;JCHZGQXARPDZSU-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228710;MM228710;C#CC(C)(F)C#CC(=C)F;LQQYRJCPXNCWAW-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228711;MM228711;C#CC(F)(F)C#CC(C)=O;BKCCAZVGODSYAI-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228712;MM228712;C#CC(F)(F)C#CC(=N)N;YRDWGIVTZRRBGP-UHFFFAOYSA-N;142.11;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228713;MM228713;C#CC(F)(F)C#CC(N)=O;UINWIEVUTHIVBE-UHFFFAOYSA-N;143.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228714;MM228714;C#CC(F)(F)C#CC(=O)O;NHMCHUAZLVKAKU-UHFFFAOYSA-N;144.08;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228715;MM228715;CCC(C)(C)CC=C(C)C;ROPXTQPSTNNEDW-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228716;MM228716;CC(C)=CCC(C)(C)CN;VUCWLESVOGRTBE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228717;MM228717;OCC12CN3CC3C1N2;GJJVBGGLMYYXDO-UHFFFAOYSA-N;126.16;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228718;MM228718;CC(C)=CCC(C)(C)CF;WMSDAJFMBOSVBF-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228719;MM228719;CCC(C)(C)CC=C(C)F;BGZQMLPLRHXLDV-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228720;MM228720;CC(F)=CCC(C)(C)CN;GSYAWOPVKBBSIM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228721;MM228721;CC(C)C(C)(O)CC=NN;QPXGHQUECGFVIP-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228722;MM228722;CC(F)=CCC(C)(C)CF;HMLCDLUYSACNRM-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228723;MM228723;CCC(C)(C)CC=C(F)F;BKCANLROKFIOHO-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228724;MM228724;CC(C)(CN)CC=C(F)F;GQJMLGXRCAYIMS-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228725;MM228725;CNN=CN(O)CC(C)O;OCQJQUTZGVRZOZ-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228726;MM228726;CCC(C)(N)CC=C(C)C;XVGOIQCFXBMKML-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228727;MM228727;CC(C)=CCC(C)(N)CF;KKCHZRAVHIDCIT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228728;MM228728;CCC(C)(N)CC=C(C)F;OUFOSMDGOAPMOO-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228729;MM228729;CC(F)=CCC(C)(N)CF;HHMZQZWLXUAXOI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228730;MM228730;CCC(C)(N)CC=C(F)F;JRSUUJYZUSLWTQ-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228731;MM228731;CC(N)(CN)CC=C(F)F;SXJFGADISJAMOG-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228732;MM228732;CC(N)(CF)CC=C(F)F;MRDNWATVDQHQKE-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228733;MM228733;CCC(C)(O)C(C)C=NN;FOYCRFXHGLTOCC-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228734;MM228734;CC(C)=CCC(C)(O)CF;YGGXDSPVEGJZNZ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228735;MM228735;CCC(C)(O)CC=C(C)F;MMNOQDPDWMCOGJ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228736;MM228736;CC(F)=CCC(C)(O)CO;SRNMTHSOGYUGNN-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228737;MM228737;CC(F)=CCC(C)(O)CF;WSBQADOHCHALDQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228738;MM228738;CC(O)(CN)CC=C(F)F;GJQSBFXPMOBWDI-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228739;MM228739;CC(O)(CO)CC=C(F)F;RUFKHHSNPGKYDU-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228740;MM228740;CCC(C)(F)CC=C(C)C;APEMJDBMOPVPQM-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228741;MM228741;CC(C)=CCC(C)(F)CN;LKHHPSPTQPGJKE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228742;MM228742;CC(C)=CCC(C)(F)CO;YFNUHPCCQFOWHE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228743;MM228743;CCC(C)(F)CC=C(C)F;NBANFLBFCJFNBC-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228744;MM228744;CC(F)=CCC(C)(F)CN;LBKFUFNGTUAKII-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228745;MM228745;CCC(C)(F)CC=C(F)F;DOZLBDGVCKDJSW-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228746;MM228746;CCC(F)(F)CC=C(C)C;GUZIANIOKBQNQX-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228747;MM228747;CC(C)=CCC(F)(F)CO;LVZUCBOBNPPTJH-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228748;MM228748;CNC(C)(C)CC=C(C)C;UGEXGPKHFVNGLU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228749;MM228749;CNC(C)(C)CC=C(C)F;PLKKGTWJPNYUOK-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228750;MM228750;CNC(C)(C)CC=C(F)F;QKTFEJUMUKNMFM-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228751;MM228751;COC(C)(C)CC=C(F)F;UJZMNFWRKIMAGB-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228752;MM228752;CCC(C)(C)NN=C(C)C;OTGWJIHJGNVGNX-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228753;MM228753;CC(C)=NNC(C)(C)CN;BKYUWURLSSLXMJ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228754;MM228754;C=CC(O)CC(=O)N(C)N;VMVCCFXGRJOMRY-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228755;MM228755;CC(C)=NNC(C)(C)CF;MVFIKPCFBAVNRD-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228756;MM228756;CCC(C)(C)OC=C(C)C;DZHPVOFKQOQFQI-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228757;MM228757;CC(C)=COC(C)(C)CN;MCRJHVIAQQXTFN-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228758;MM228758;CC(C)=COC(C)(C)CO;QLYJKLQYHUEWQW-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228759;MM228759;CCC(C)(C)OC=C(C)F;ARKJCBXUIUEMRV-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228760;MM228760;CC(F)=COC(C)(C)CN;HXEALBOFHPJGGK-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228761;MM228761;CC(F)=COC(C)(C)CO;UXCFSLYSMOLOQU-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228762;MM228762;CC(F)=COC(C)(C)CF;RGIMDFVRAPMGCF-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228763;MM228763;CCC(C)(C)OC=C(F)F;MBNFVJOKNMIBNG-UHFFFAOYSA-N;150.17;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228764;MM228764;CC(C)(CN)OC=C(F)F;NGKOFLIBUODWSX-UHFFFAOYSA-N;151.16;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228765;MM228765;CC(C)(CO)OC=C(F)F;JGJRBZIYTMFWLC-UHFFFAOYSA-N;152.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228766;MM228766;COC(C)(C)OC=C(C)C;BALNTFCTZQZTCK-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228767;MM228767;COC(C)(C)OC=C(F)F;UPIKOKXBHHDDJK-UHFFFAOYSA-N;152.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228768;MM228768;CCC(C)(C)ON=C(C)C;ZNMXSVVHNGPROJ-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228769;MM228769;CC(=O)ON=C(N)C(N)=O;CDEDRHLAWGBKJP-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228770;MM228770;C=CC(C)(C)CC=C(C)C;HRAGAKKBZWYBSJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228771;MM228771;CC(C)=CCC(C)(C)C=O;TVJYZLLDEHOCJE-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228772;MM228772;CC(C)=CCC(C)(C)C#N;KAMYYIIWBJYRBZ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228773;MM228773;C=CC(C)(C)CC=C(C)F;BTEJWXXAPHKPHR-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228774;MM228774;CC(F)=CCC(C)(C)C=O;RNCZYHVFWZGSEB-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228775;MM228775;CC(F)=CCC(C)(C)C#N;XPUKMZOTZVVBOH-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228776;MM228776;C=CC(C)(C)CC=C(F)F;VQBWSKBYDFIZIV-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228777;MM228777;CC(C)(C=O)CC=C(F)F;IWEHOBPVGKIDSG-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228778;MM228778;C=CC(C)(N)CC=C(C)C;WJULSWMVTBCZOJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228779;MM228779;C=CC(C)(N)CC=C(F)F;VPJQIJQSZPOKPS-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228780;MM228780;CN=CN(C=N)OC(N)=O;AXICCVRUKZDYEO-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228781;MM228781;CC(C)=CCC(C)(O)C=O;HPLGZLFNEBLXKX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228782;MM228782;CC(C)=CCC(C)(O)C#N;ZHUDWKRDFOJRBD-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228783;MM228783;C=CC(C)(O)CC=C(C)F;GQSZPXYBWAOZPP-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228784;MM228784;CC(F)=CCC(C)(O)C=O;VIORKNIMIRVZMT-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228785;MM228785;CC(F)=CCC(C)(O)C#N;ANZMARPDGGVTTK-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228786;MM228786;C=CC(C)(O)CC=C(F)F;KVBGAHIDYQDFCC-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228787;MM228787;CC(O)(C#N)CC=C(F)F;ILUQGROZKITMAQ-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228788;MM228788;C=CC(C)(F)CC=C(C)C;IUVDWPIZUAWZIW-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228789;MM228789;CC(C)=CCC(C)(F)C=O;VWWWIXNCZZQDQK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228790;MM228790;CC(C)=CCC(C)(F)C#N;GCOCHZPNABBDOY-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228791;MM228791;C=CC(C)(F)CC=C(F)F;LICNAZSKPBMQQF-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228792;MM228792;C=CC(F)(F)CC=C(C)C;GWHIHHJYNHSSGJ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228793;MM228793;C=CC(F)(F)CC=C(F)F;SOFMGOZSAFDAPY-UHFFFAOYSA-N;154.11;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228794;MM228794;C=CC(C)(C)NN=C(C)C;XUXUZWOQRPMAEA-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228795;MM228795;CC(C)=NNC(C)(C)C=O;FXJVZNKZPIHNMW-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228796;MM228796;O=CCN(O)C=NCCO;GLLRWBHKYAPONQ-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228797;MM228797;C=CC(C)(C)OC=C(C)C;IIVXRSKSBBHLMA-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228798;MM228798;CC(C)=COC(C)(C)C#N;FAIUNAWZAQYYAV-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228799;MM228799;C=CC(C)(C)OC=C(C)F;XMWCCICFIAKVNJ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228800;MM228800;CC(F)=COC(C)(C)C=O;FVUWJSFJFHRTSD-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228801;MM228801;CC(F)=COC(C)(C)C#N;RQHKEKUVDCAMOO-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228802;MM228802;C=CC(C)(C)OC=C(F)F;QMLFVTSBGTVDGT-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228803;MM228803;CC(C)(C=O)OC=C(F)F;PSMWUGWWFOHJEH-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228804;MM228804;CC(C)(C#N)OC=C(F)F;DQADDLFKUAWSOJ-UHFFFAOYSA-N;147.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228805;MM228805;C=CC(C)(C)ON=C(C)C;CHIPITQHVVMOHE-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228806;MM228806;CC(C)=NOC(C)(C)C=O;OJJHCKIOOIBBBJ-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228807;MM228807;CC(C)=NOC(C)(C)C#N;RCZXFFVVADIYKJ-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228808;MM228808;C#CC(C)(C)CC=C(C)C;RQUIEVIRFUSLRQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228809;MM228809;C#CC(C)(C)CC=C(C)F;XYKJMOXHYJFGBK-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228810;MM228810;C#CC(C)(C)CC=C(F)F;ZPALKSKGHRBYJE-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228811;MM228811;C#CC(C)(N)CC=C(C)C;UOWIOVCDWZXFSR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228812;MM228812;C#CC(C)(N)CC=C(C)F;RTEJQPZVROMHPY-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228813;MM228813;C#CC(C)(O)CC=C(C)C;PXSHVWAJMRHKSN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228814;MM228814;C#CC(C)(F)CC=C(C)C;JSOBKKWPIMNSNC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228815;MM228815;C#CC(C)(C)NN=C(C)C;GVAOZVJZHOAGNM-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228816;MM228816;C#CC(C)(C)OC=C(C)C;BJJSTSCZFHMLBT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228817;MM228817;C#CC(C)(C)OC=C(C)F;ZWWBKZIOPZXWCT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228818;MM228818;C#CC(C)(C)OC=C(F)F;BDHDNHLLHVLZRJ-UHFFFAOYSA-N;146.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228819;MM228819;C#CC(C)(C)ON=C(C)C;PMEKHGZDULEKEY-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228820;MM228820;CC(C)(CN)C(C)(C)CN;MIPDWRUEFXIGOP-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228821;MM228821;CC(C)(CN)C(C)(C)CF;IYRWEMBXEPANIH-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228822;MM228822;CC(C)(CO)C(C)(N)CO;ILTWOHCTQGUUJG-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228823;MM228823;CC(C)(CF)C(C)(N)CN;FQYOVTIEPXDTFG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228824;MM228824;CC(C)(CF)C(C)(O)CO;ALIYNYQJUDHJAQ-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228825;MM228825;CC(C)(CN)C(C)(F)CF;YJAPRWIHXYMVMT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228826;MM228826;CC(C)(CF)C(C)(F)CN;VYYFJDIMHPOGHT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228827;MM228827;CCC(F)(F)C(C)(C)CN;ISJVQEUOMQZLST-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228828;MM228828;CC(C)(CN)C(F)(F)CF;SARJJSVEOXAQFJ-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228829;MM228829;CCC(C)(N)C(C)(N)CO;XZNONHSKCAWWHY-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228830;MM228830;CC(N)(CO)C(C)(N)CO;VEDYAVPXKZHHHS-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228831;MM228831;CC(N)(CN)C(C)(O)CO;MEWRJZYJSLIJAB-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228832;MM228832;CCC(C)(O)C(C)(N)CO;VWHZPPBHLURCPP-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228833;MM228833;CC(N)(CO)C(C)(O)CO;UZPMBZQPPIHDRP-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228834;MM228834;CCC(C)(F)C(C)(N)CN;MTXXFSATVJDYKW-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228835;MM228835;CC(N)(CN)C(C)(F)CF;BEDNAFCKRAJNJO-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228836;MM228836;CC(O)(CN)C(C)(O)CO;JBTRLDLGXPDUOF-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228837;MM228837;CCC(C)(F)C(C)(O)CN;CVSIBDVZMXUWGH-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228838;MM228838;CC(O)(CN)C(C)(F)CF;VSYIEDHICPVBRB-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228839;MM228839;CCC(C)(F)C(C)(F)CN;WFWNULJOISVQOA-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228840;MM228840;CC(F)(CN)C(C)(F)CN;VPZGJIGYERCGQW-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228841;MM228841;CNC(C)(C)C(C)(C)CN;YDQYTKQAVAYMGU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228842;MM228842;CNC(C)(C)C(C)(N)CO;APTVRSSBSNAERQ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228843;MM228843;CNC(C)(C)C(C)(O)CN;GDEZCCGMKCLNCY-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228844;MM228844;CNC(C)(C)C(C)(F)CO;KAGFDHIWRURXPY-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228845;MM228845;CNC(C)(C)C(C)(F)CF;JTHHDPVONJIBMT-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228846;MM228846;COC(C)(C)C(C)(N)CN;QYNCCOWPSLGIMD-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228847;MM228847;COC(C)(C)C(C)(O)CN;WCHHRWXVZWSWKY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228848;MM228848;CNC(C)(C)C(C)(C)NC;JZPRAGWQGUWOCP-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228849;MM228849;C#CCN(O)C=NCCO;XLLLGGNCQGGAGW-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228850;MM228850;CC(F)(C=O)C(C)(C)CF;AVZCBUSWMUXWEV-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228851;MM228851;CCC(C)(O)C(C)(O)C#N;VPYRJXHNVIFNAZ-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228852;MM228852;CC(O)(C=O)C(C)(O)CF;ANCRBLJPFLPNIP-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228853;MM228853;C=CC(C)(F)C(C)(O)CO;DBNCTGNWLJQWMH-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228854;MM228854;C=CC(C)(C)C(C)(F)CN;PXSRGGKKZRTDER-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228855;MM228855;CC(C)(C=O)C(C)(F)CO;ARUKJKGVYDAIND-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228856;MM228856;CC(C)(C=O)C(C)(F)CF;WABMHIXCRUGSGO-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228857;MM228857;C=CC(C)(N)C(C)(F)CO;PXHPFWUVVSNWPQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228858;MM228858;CCC(C)(F)C(C)(O)C=O;FDDJTGYCQNFJCH-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228859;MM228859;C=CC(C)(F)C(C)(F)CN;LXABUGOTYCFBDE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228860;MM228860;C=CC(C)(C)C(C)(C)NC;SGXLJMSVZDREHV-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228861;MM228861;CNC(C)(C)C(C)(C)C=O;ICUQEJTZKAIASN-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228862;MM228862;CNC(C)(C)C(C)(C)C#N;UALQQSVHJXNSEQ-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228863;MM228863;C=CC(C)(C)C(C)(C)OC;QQUCJNTWMDZELV-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228864;MM228864;COC(C)(C)C(C)(C)C#N;QEKSDZUTZLBBCG-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228865;MM228865;C=CC(C)(O)C(C)(C)OC;QDMIXVQZZACNFV-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228866;MM228866;COC(C)(C)C(F)(F)C#N;UIJWNVXEZXHXBN-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228867;MM228867;C#CC(C)(C)C(C)(C)CN;FQPCHJUAJDUBIJ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228868;MM228868;C#CC(C)(N)C(C)(C)CF;VOGIYVOKFSHRGF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228869;MM228869;C#CC(C)(C)C(C)(N)CN;PKPMFEVFQOCRLH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228870;MM228870;C#CC(C)(C)C(C)(O)CO;ITDIULOYAWICQO-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228871;MM228871;C#CC(C)(C)C(C)(O)CF;GDARPKOZMXUTMQ-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228872;MM228872;C#CC(C)(N)C(C)(O)CO;BZGCYRYEUCYHHI-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228873;MM228873;C#CC(C)(O)C(C)(O)CO;XWLIDZPERJKWHN-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228874;MM228874;C#CC(C)(C)C(C)(F)CN;JQKRWVHOAJUVJO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228875;MM228875;C#CC(C)(F)C(F)(F)CO;ZXSHXGDDNBXUPJ-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228876;MM228876;C#CC(C)(C)C(C)(C)NC;CQJLCDHELBEZTG-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228877;MM228877;C#CC(C)(C)C(C)(C)OC;ZYUYCJZBRMCGGY-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228878;MM228878;C#CC(F)(F)C(C)(C)OC;YUMXAFVOLXJZHK-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228879;MM228879;C=CC(C)(C)C(C)(C)C=C;IYLIJOSJWHXAEF-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228880;MM228880;C=CC(C)(C)C(C)(C)C=O;WPGTYHPQILUBFR-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228881;MM228881;C=CC(C)(C)C(C)(C)C#N;OJJCKYOZMONFEF-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228882;MM228882;CC(C)(C#N)C(C)(C)C=O;ITXVILCYZFKACZ-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228883;MM228883;CC(C)(C#N)C(C)(C)C#N;ZVQXQPNJHRNGID-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228884;MM228884;C=CC(C)(C)C(C)(F)C=O;RXMRDRUKMCPLSI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228885;MM228885;O=CC(F)(F)C(F)(F)C=O;GUQZKIJKYQFRNH-UHFFFAOYSA-N;158.05;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228886;MM228886;N#CC(F)(F)C(F)(F)C=O;YHJSQFIYKUFKNZ-UHFFFAOYSA-N;155.05;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228887;MM228887;N#CC(F)(F)C(F)(F)C#N;YNNRRZCWTDUBNT-UHFFFAOYSA-N;152.05;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228888;MM228888;C#CC(C)(C)C(C)(C)C=C;MSRFBJFSPJIPLH-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228889;MM228889;C#CC(C)(C)C(C)(C)C#N;WCVYLCWPJBIMCC-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228890;MM228890;C#CC(C)(N)C(C)(C)C=C;ZGIWUXZDJOPZKY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228891;MM228891;C#CC(C)(O)C(C)(O)C=C;LLPXULFCZRIXDC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228892;MM228892;C#CC(C)(F)C(C)(O)C#N;YHOCAXHHMQLRNJ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228893;MM228893;C#CC(C)(O)C(F)(F)C#N;KSYLYYSPNNGMBD-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228894;MM228894;C#CC(F)(F)C(F)(F)C=O;ROCUTQAJPPENJJ-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228895;MM228895;C#CC(C)(C)C(C)(C)C#C;IARZMUGMMKCGFQ-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228896;MM228896;C#CC(C)(C)C(C)(N)C#C;KKIDKKDSUGUEOX-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228897;MM228897;C#CC(C)(O)C(C)(F)C#C;TXZGVQZPKRLSNJ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228898;MM228898;C#CC(F)(F)C(F)(F)C#C;KJHISUDZYOEWNG-UHFFFAOYSA-N;150.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228899;MM228899;CCC(C)(CC)CC(C)C;SIKFMUYSQCEQOO-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228900;MM228900;CCC(C)(CN)CC(C)C;MONSPIVFPRXLSC-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228901;MM228901;CC(=O)N(N)C(=CF)CO;IHJVWXBOPKVATI-UHFFFAOYSA-N;148.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228902;MM228902;CC(C)CC(C)(CN)CO;NUPFPZVTCGVURT-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228903;MM228903;CC(C)CC(C)(CN)CF;IPXRISFMNANLCI-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228904;MM228904;CC(C)CC(C)(CO)CO;REQVMPVOKUHDOZ-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228905;MM228905;CCC(C)(CC)CC(C)N;CWNDPXQMYRKLON-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228906;MM228906;CCC(C)(CN)CC(C)N;UYNCPDUSIXJVHM-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228907;MM228907;CCC(C)(CF)CC(C)N;FCSGUHKBKOGFAL-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228908;MM228908;CC(N)CC(C)(CN)CN;DPHLOHGLANBMGN-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228909;MM228909;CC(N)CC(C)(CO)CO;KIUZNTCNTBTLBT-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228910;MM228910;CC(N)CC(C)(CF)CF;QKQSFGNRIQVMAX-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228911;MM228911;N=C(NOCCO)C(N)=O;SKJKFBIQFODEKT-UHFFFAOYSA-N;147.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228912;MM228912;CCC(C)(CN)CC(C)O;BJXBSASYVADQBB-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228913;MM228913;CC(O)CC(C)(CN)CN;NFUPIPDQAMOPRF-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228914;MM228914;CC(O)CC(C)(CF)CF;GBUBPJOWCHHHCL-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228915;MM228915;CCC(C)(CC)CC(C)F;MDOIKGSGSXWYLU-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228916;MM228916;CCC(C)(CN)CC(C)F;QCRXHWZDBPYOLF-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228917;MM228917;CC(F)CC(C)(CF)CF;UMJZEQVHVQOLDN-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228918;MM228918;CCC(C)(CC)CC(F)F;MAJDJLIQXPUCDX-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228919;MM228919;CC(CF)(CF)CC(F)F;MGLWPIHNYUEJPN-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228920;MM228920;CCC(N)(CC)CC(C)C;JXMDAJHGLLVXQW-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228921;MM228921;CCC(N)(CC)CC(C)N;YLPQLGPIQJGJLN-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228922;MM228922;CCC(N)(CN)CC(C)N;KCVJINAXDCKCOA-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228923;MM228923;CC(N)CC(N)(CO)CO;ZIMXVNVCVSYHDO-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228924;MM228924;CCC(N)(CC)CC(C)O;LYGJCAZOWKOVFU-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228925;MM228925;CC(O)CC(N)(CN)CN;NGDVWUQHDPFVJA-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228926;MM228926;CC(O)CC(N)(CO)CO;ZMLHZRJZDYKSLO-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228927;MM228927;CCC(N)(CC)CC(C)F;IXDQWIBGAJWZDB-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228928;MM228928;CCC(N)(CF)CC(C)F;OENZAFITIWRVKR-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228929;MM228929;CC(F)CC(N)(CN)CF;QQEDKAPFYKIDGO-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228930;MM228930;CCC(N)(CC)CC(F)F;CALLZDNQXPGBSJ-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228931;MM228931;CCC(N)(CN)CC(F)F;OPLXQYFILLWQIU-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228932;MM228932;CCC(N)(CF)CC(F)F;REMYEOZBSVVZRG-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228933;MM228933;C=NN=CC=C(N)C(C)O;KYKUUFJJCDCTPB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228934;MM228934;CC(C)CC(O)(CO)CF;KLJHKHGOAYQHDO-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228935;MM228935;CCC(O)(CN)CC(C)N;PFKBLFDIDYVLBJ-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228936;MM228936;CC(N)CC(O)(CN)CN;BZBRYUWJTJKMBV-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228937;MM228937;CC(N)CC(O)(CN)CO;BKOVDTGRHZAVJE-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228938;MM228938;CC(N)CC(O)(CO)CO;RFKSMPRGDQOPQN-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228939;MM228939;CC(O)CC(O)(CO)CO;PLSCNVBLHAGBGP-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228940;MM228940;CCC(O)(CC)CC(C)F;DVAZSJZMIOUNPH-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228941;MM228941;OCC(O)(CO)CC(F)F;BYQCNLKFZQSAMK-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228942;MM228942;CCC(F)(CC)CC(C)C;VXMBIKQRYHTYFG-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228943;MM228943;CCC(F)(CN)CC(C)C;NCVKLBUIFXJKMF-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228944;MM228944;CC(C)CC(F)(CN)CN;BGOHWGOVKKXCQP-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228945;MM228945;CC(C)CC(F)(CN)CF;JEELQRZGQSCJBT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228946;MM228946;CCC(F)(CC)CC(C)N;PFLRSDKHVVMUFL-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228947;MM228947;CCC(F)(CF)CC(C)N;OBHNFZWSVQVVJQ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228948;MM228948;CC(N)CC(F)(CN)CN;JTLYIJRBPYYHNK-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228949;MM228949;CC(N)CC(F)(CN)CF;IBAGOHKSWYUZOD-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228950;MM228950;CC(N)CC(F)(CO)CO;JQWMAJPGXHWVJS-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228951;MM228951;CCC(F)(CC)CC(C)O;HIWMLUVAFTVXBT-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228952;MM228952;CCC(F)(CF)CC(C)O;FSPXAUVWBRXPSR-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228953;MM228953;CC(O)CC(F)(CN)CN;QCENZZAQZDXUPM-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228954;MM228954;CC(O)CC(F)(CO)CO;AEBFPPBLQUGITL-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228955;MM228955;CC(O)CC(F)(CF)CF;CJUOBTCJGBEDJC-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228956;MM228956;CCC(F)(CC)CC(C)F;OAMZEUPCMLYRMO-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228957;MM228957;CCC(F)(CN)CC(C)F;DHQZZICXDBTJHS-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228958;MM228958;CC(F)CC(F)(CN)CN;SREBMTXUFVLDKR-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228959;MM228959;CC(F)CC(F)(CN)CF;OTZGWAAMTJTZOY-UHFFFAOYSA-N;155.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228960;MM228960;CCC(F)(CC)CC(F)F;HBMSMDLTGLPQPE-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228961;MM228961;CCC(F)(CF)CC(F)F;LFVOYVHSKFQTEI-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228962;MM228962;CCC(C)(CC(C)C)NC;BSWGMOCPQZUGMH-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228963;MM228963;CCC(C)(CC(C)N)NC;JRILPIRPHDXRQD-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228964;MM228964;CNC(C)(CN)CC(C)N;LPRSCFFUQXRPII-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228965;MM228965;CCC(C)(CC(C)O)NC;KDEFQHZZRGVOJT-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228966;MM228966;CNC(C)(CO)CC(C)O;OUZQDRBZQWFXSK-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228967;MM228967;CCC(C)(CC(C)F)NC;LUHQFQCGEIDCOQ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228968;MM228968;CNC(C)(CF)CC(C)F;FMBPNROMOGKYTH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228969;MM228969;CNC(C)(CN)CC(F)F;HORDIQOTOARTHH-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228970;MM228970;CNC(C)(CF)CC(F)F;WDRFELOOBGLLBB-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228971;MM228971;CCC(C)(CC(C)C)OC;RWROUYSSWCNKGO-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228972;MM228972;COC(C)(CN)CC(C)C;FSULTYGIVNQHNM-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228973;MM228973;CCC(C)(CC(C)N)OC;GFVPRMOZPVTOOR-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228974;MM228974;CCC(C)(CC(C)O)OC;HNVPKLSNDODNJO-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228975;MM228975;COC(C)(CN)CC(C)O;YUTGDGJRQBHDAW-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228976;MM228976;COC(C)(CN)CC(C)F;NVVKEUWGBSSXBE-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228977;MM228977;COC(C)(CO)CC(F)F;OKWQZTPEXJVROL-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228978;MM228978;COC(C)(CC(C)F)OC;PBCRXCGBTZWYKD-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228979;MM228979;COC(C)(CC(F)F)OC;HJFQYOUZTGHVQH-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228980;MM228980;CCC(C)(CC)NC(C)C;ZNTKVXFPEWDIRW-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228981;MM228981;CCC(C)(CN)NC(C)C;LECRUISMPGPQAT-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228982;MM228982;CCC(C)(CO)NC(C)C;XOPAHORJDJIKFF-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228983;MM228983;CC(C)NC(C)(CO)CO;AMVYCFHHTYSSMW-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228984;MM228984;CCC(C)(CC)OC(C)C;CRSMEDSPOOTGIA-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228985;MM228985;CCC(C)(CN)OC(C)C;CBSSQSBJDGMPFP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228986;MM228986;CC(C)OC(C)(CN)CN;JHGUVYOSJAXAPN-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228987;MM228987;CC(C)OC(C)(CN)CO;PYBZLPUYDMISJK-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228988;MM228988;CC(C)OC(C)(CO)CO;GDTSYDAYOZWRHX-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228989;MM228989;CCC(C)(CC)CN(C)C;XTOCCYUXURJNIM-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228990;MM228990;CCC(C)(CN)CN(C)C;BRACMCXUUMEMOZ-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228991;MM228991;CCC(C)(CF)CN(C)C;MLUMVUMKKSPUKJ-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228992;MM228992;CN(C)CC(C)(CN)CN;GXANGSGNRVSNHV-UHFFFAOYSA-N;145.25;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228993;MM228993;CN(C)CC(C)(CN)CF;XFXKXHFTPSEJGV-UHFFFAOYSA-N;148.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228994;MM228994;CN(C)CC(C)(CO)CO;MWSMRYINWRINLC-UHFFFAOYSA-N;147.22;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228995;MM228995;CN(C)CC(C)(CF)CF;FVMXXESWWNJFMH-UHFFFAOYSA-N;151.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228996;MM228996;CCC(N)(CC)CN(C)C;KMTWIGUQGBDVBR-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228997;MM228997;CCC(N)(CO)CN(C)C;LBLQYJRXPNZEQY-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228998;MM228998;CN(C)CC(N)(CN)CN;UYSNFWWKIWTEET-UHFFFAOYSA-N;146.24;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM228999;MM228999;CN(C)CC(N)(CN)CO;XZPKBGAFMAJCIZ-UHFFFAOYSA-N;147.22;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229000;MM229000;CN(C)CC(N)(CO)CO;JBTUWEAYOZDEKA-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229001;MM229001;CCC(O)(CC)CN(C)C;VMCSODPPPQQBSY-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229002;MM229002;CCC(O)(CN)CN(C)C;DEZCMESATVWCOW-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229003;MM229003;CCC(O)(CO)CN(C)C;NKKWGBWLSDEUKS-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229004;MM229004;CN(C)CC(O)(CN)CN;BXMUXRWOXQSZGN-UHFFFAOYSA-N;147.22;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229005;MM229005;CN(C)CC(O)(CN)CO;LDXGWVBGCLORSL-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229006;MM229006;CN(C)CC(O)(CF)CF;LYCBXGSYRHOJGN-UHFFFAOYSA-N;153.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229007;MM229007;CCC(C)(CN(C)C)NC;LIUDVVVLIVFWBQ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229008;MM229008;CCC(C)(CN(C)C)OC;GKIRCNZEZKWQLY-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229009;MM229009;C=CC(C)(CC)CC(C)C;QKDJIJHCQKRKRL-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229010;MM229010;CCC(C)(C=O)CC(C)C;GRVRLTIGFZVXMM-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229011;MM229011;CCC(C)(C#N)CC(C)C;WNGKSWBNINDSQY-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229012;MM229012;C=CC(C)(CN)CC(C)C;PSUBOKJKGIWLGA-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229013;MM229013;C=CC(C)(CF)CC(C)C;FLBVCQGJYZEEFZ-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229014;MM229014;CC(C)CC(C)(C=O)CF;GDYXKSBPIPXLMR-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229015;MM229015;C=CC(C)(CC)CC(C)N;CJRFLDUQXLEYDF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229016;MM229016;C=CC(C)(CN)CC(C)N;WHFPCNJQRYYQMO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229017;MM229017;C=CC(C)(CO)CC(C)N;LISPVHDRICODOF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229018;MM229018;C=CC(C)(CF)CC(C)N;KKSHREHDTJXPAP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229019;MM229019;CCNC(=O)N(N)C(C)=O;YYRSUZZTADLHRC-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229020;MM229020;CCC(C)(C=O)CC(C)O;VTDHCJMMOMHNGN-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229021;MM229021;CCC(C)(C#N)CC(C)O;HTGZDWFLZSJOJS-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229022;MM229022;C=CC(C)(CN)CC(C)O;WVFABBYZFFNRTO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229023;MM229023;CC(O)CC(C)(C=O)CO;VZPJPZHHIRAYGS-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229024;MM229024;CC(O)CC(C)(C#N)CO;IIJFAIOVUMNULI-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229025;MM229025;C=CC(C)(CF)CC(C)O;VAYVESQHCOSAFH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229026;MM229026;C=CC(C)(CC)CC(C)F;BTWIQDVWKPYVJH-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229027;MM229027;CCC(C)(C=O)CC(C)F;BMCOMXOMPDKBJF-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229028;MM229028;CCC(C)(C#N)CC(C)F;DMQVMXXLZIKOEW-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229029;MM229029;C=CC(C)(CN)CC(C)F;AQLIXPMHZJUUQD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229030;MM229030;CC(F)CC(C)(C#N)CO;FULZKNFGVPFCJN-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229031;MM229031;CC(F)CC(C)(C=O)CF;BRJBYZLTPKQIES-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229032;MM229032;CC(F)CC(C)(C#N)CF;DAYDGWJFNJQZLK-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229033;MM229033;C=CC(C)(CN)CC(F)F;VIRIYYAGHINPPE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229034;MM229034;CC(C#N)(CF)CC(F)F;TZTWYEWFANITCB-UHFFFAOYSA-N;151.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229035;MM229035;C=CC(N)(CC)CC(C)C;LJAQSNJGKZFRPH-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229036;MM229036;C=CC(N)(CN)CC(C)C;GDPJNULWZSUIKZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229037;MM229037;C=CC(N)(CO)CC(C)C;RIAWBUDRCIUDKD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229038;MM229038;C=CC(N)(CC)CC(C)N;XWANXVMAUALSKV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229039;MM229039;C=CC(N)(CN)CC(C)N;XUVXSIDLFGFSCS-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229040;MM229040;C=CC(N)(CO)CC(C)N;TWKVZRSXFGRJPJ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229041;MM229041;C=CC(N)(CN)CC(C)O;KHSYTFGSBPJYPM-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229042;MM229042;C=CC(N)(CO)CC(C)O;ODDUEFGIIVAZEH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229043;MM229043;C=CC(N)(CC)CC(C)F;CDYQCYZRXZRABS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229044;MM229044;C=CC(N)(CN)CC(C)F;KNZAKJIOYNYLNE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229045;MM229045;C=CC(N)(CO)CC(C)F;GPGPUJPAQBFCBV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229046;MM229046;C=CC(N)(CF)CC(C)F;JNKNZOLWVVZSDS-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229047;MM229047;C=CC(N)(CC)CC(F)F;IODLEZNIHYPCGW-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229048;MM229048;C=CC(N)(CF)CC(F)F;BUAZGTZJXITSQY-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229049;MM229049;CC#CC(=N)N(N)C(N)=O;JHXWCFNSPXGXEI-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229050;MM229050;CCC(O)(C#N)CC(C)C;WUKUIJNCDBDZRI-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229051;MM229051;C=CC(O)(CN)CC(C)C;GHKUGGHIZRGGCQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229052;MM229052;C=CC(O)(CN)CC(C)N;UZAIUZUZFCXCTR-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229053;MM229053;CCC(O)(C#N)CC(C)O;COTCCQNVAKNPOV-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229054;MM229054;CC(O)CC(O)(C#N)CO;ZJZUIGCFWXOFNZ-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229055;MM229055;CCC(O)(C=O)CC(C)F;NLWOBGSMFCHELQ-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229056;MM229056;CC(F)CC(O)(C#N)CO;MOFWYDFJBFVQCE-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229057;MM229057;CC(F)CC(O)(C=O)CF;NKCDEYFAOBSWCF-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229058;MM229058;N#CC(O)(CO)CC(F)F;DUGBZNSOWIDRRL-UHFFFAOYSA-N;151.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229059;MM229059;C=CC(F)(CC)CC(C)C;DZEZFJFWBLBRKC-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229060;MM229060;C=CC(F)(CO)CC(C)C;SGNUQQMAACUZIP-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229061;MM229061;C=CC(F)(CN)CC(C)N;HOVGLUSKNDPEDS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229062;MM229062;C=CC(F)(CC)CC(C)O;NGSMNMAFYAJELW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229063;MM229063;CCC(F)(C#N)CC(C)O;NHFPOPMVGGBDGP-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229064;MM229064;C=CC(F)(CO)CC(C)F;MGAAEEWYFFHJPC-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229065;MM229065;CC(F)CC(F)(C=O)CO;AAPFBLWUOBNSMC-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229066;MM229066;C=CC(F)(CC)CC(F)F;MEGDXLOUODUZEF-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229067;MM229067;C=CC(F)(CN)CC(F)F;LWBQXZXWJXNEEA-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229068;MM229068;N#CC(F)(CO)CC(F)F;MNZJEMODUQDUDJ-UHFFFAOYSA-N;153.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229069;MM229069;C=CC(C)(CC(C)C)NC;LKAFBHJMXCMABP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229070;MM229070;CNC(C)(C=O)CC(C)C;DEOSNFVBBFXQER-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229071;MM229071;CNC(C)(C#N)CC(C)C;CBZMZWWDZHPEME-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229072;MM229072;C=CC(C)(CC(C)O)NC;YLFBBDXYBUCYDA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229073;MM229073;C=CC(C)(CC(C)F)NC;LKCJSXMTVAAXMW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229074;MM229074;CNC(C)(C=O)CC(C)F;QUTVNJVPQWOWNX-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229075;MM229075;CNC(C)(C#N)CC(C)F;MPSUBJFUPPQZBG-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229076;MM229076;C=CC(C)(CC(F)F)NC;OAVIVAIZSLDBQO-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229077;MM229077;CNC(C)(C#N)CC(F)F;SYLXIXGXRYJERJ-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229078;MM229078;C=CC(C)(CC(C)F)OC;UYWBEWMZGUYRMG-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229079;MM229079;COC(C)(C#N)CC(C)F;DLCQWGDBUILOLP-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229080;MM229080;C=CC(C)(CC)NC(C)C;PVCBXLMGPOWOJM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229081;MM229081;CCC(C)(C=O)NC(C)C;JWYAMZHQUZEOIF-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229082;MM229082;CCC(C)(C#N)NC(C)C;CCZNIQIQEYMONH-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229083;MM229083;C=CC(C)(CO)NC(C)C;KQIJPDQNBBOUQK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229084;MM229084;C=CC(C)(CF)NC(C)C;HLPJNKFWURRHAW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229085;MM229085;C=CC(C)(CC)OC(C)C;DEDRFLLVIHGAMU-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229086;MM229086;CCC(C)(C#N)OC(C)C;KZMQZVBHBPFRJT-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229087;MM229087;C=CC(C)(CN)OC(C)C;LJKOUKYGHUEJRB-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229088;MM229088;C=CC(C)(CO)OC(C)C;RMGJEKRQOXCGAQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229089;MM229089;COC(C)(C=O)OC(C)C;YLJROFGSCDNYCX-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229090;MM229090;COC(C)(C#N)OC(C)C;XMBRSVMOSRJIOG-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229091;MM229091;C=CC(C)(CC)CN(C)C;RNKTVYUXXKITGQ-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229092;MM229092;C=CC(C)(CF)CN(C)C;SOBHDCVCLGOTKA-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229093;MM229093;C=CC(O)(CC)CN(C)C;DNDZHSNGKHHCEI-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229094;MM229094;C=CC(O)(CO)CN(C)C;ILRNHHWPPBDFNI-UHFFFAOYSA-N;145.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229095;MM229095;CN=CN(CC#N)C(N)=O;PPVAKOYCVQSJQR-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229096;MM229096;C=CC(F)(CN)CN(C)C;DIKKHTFOIVNTGB-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229097;MM229097;C=NOC(C#CC)C(N)=O;ARMHUAAPVCCWCX-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229098;MM229098;C#CC(C)(CC)CC(C)C;FIFFGNUHFMFCJH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229099;MM229099;C#CC(C)(CN)CC(C)C;MWILTDDVRLRYFO-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229100;MM229100;C#CC(C)(CC)CC(C)N;PRTFFHDYOOUGTB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229101;MM229101;C#CC(C)(CF)CC(C)N;SPDCWKHUQYDUBL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229102;MM229102;CCN=C(C(N)=O)N(C)O;FDWOTZSOXCIWTF-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229103;MM229103;C#CC(C)(CC)CC(C)F;KQUHFEJRTBFESX-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229104;MM229104;C#CC(C)(CC)CC(F)F;JDMABGGBWXYMAX-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229105;MM229105;C#CC(C)(CF)CC(F)F;MOSQYIMRCLOOFV-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229106;MM229106;C#CC(N)(CC)CC(C)C;ISLMIHICXJYDKS-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229107;MM229107;C#CC(N)(CN)CC(C)N;WIRFANFCXSEYKS-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229108;MM229108;C#CC(N)(CO)CC(C)N;OGEKYZWDKFYNNF-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229109;MM229109;C#CC(N)(CN)CC(C)O;CXQYPYVBSWMTKZ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229110;MM229110;C#CC(N)(CC)CC(C)F;ZMVKBIDZXAUUCA-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229111;MM229111;C#CC(N)(CN)CC(C)F;PZVABUSZTYANIL-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229112;MM229112;C#CC(N)(CO)CC(C)F;OPLYYIFMULRFSM-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229113;MM229113;C#CC(N)(CC)CC(F)F;QPSJEAGCXVVVIB-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229114;MM229114;C#CC(N)(CN)CC(F)F;NCDXSJZBFMUTJL-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229115;MM229115;C#CC(N)(CO)CC(F)F;VFPMOAHHWOSYSO-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229116;MM229116;C#CC(O)(CN)CC(C)N;NOSKAYLUPCKYIX-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229117;MM229117;C#CC(O)(CO)CC(C)N;NFRZBOZUTGFHFA-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229118;MM229118;C#CC(O)(CC)CC(C)O;RMFNMYVKMHMFMK-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229119;MM229119;C#CC(O)(CO)CC(C)O;DPPXHBXYNSWSRE-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229120;MM229120;C#CC(O)(CC)CC(C)F;WWFWDKFEDKMJRE-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229121;MM229121;C#CC(O)(CN)CC(C)F;POHRQYCFHZEJGA-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229122;MM229122;C#CC(O)(CO)CC(C)F;GPVAVGZHNBMWHG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229123;MM229123;C#CC(O)(CO)CC(F)F;RFNRMYUTDWNJTQ-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229124;MM229124;C#CC(O)(CF)CC(F)F;NTYUSOQVUJTLSJ-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229125;MM229125;C#CC(F)(CC)CC(C)F;ACXOKDGZFCYBJH-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229126;MM229126;C#CC(F)(CO)CC(F)F;GKWRJMKDZGFCAX-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229127;MM229127;C#CC(C)(CC(C)C)NC;AEAFXJAUDCEAOI-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229128;MM229128;C#CC(C)(CC(C)F)NC;MIQDPOCCKSFJQM-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229129;MM229129;C#CC(C)(CC(C)N)OC;VEVGRMLYDWKIGT-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229130;MM229130;C#CC(C)(CC(F)F)OC;SZUVJMSVSAIXEU-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229131;MM229131;C#CC(C)(CC)NC(C)C;SKOOURGEXFLNRJ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229132;MM229132;C#CC(C)(CC)OC(C)C;VLAPKSNRTYKYLF-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229133;MM229133;C#CC(C)(CO)OC(C)C;HJEMDDDDINRDST-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229134;MM229134;C#CC(C)(OC)OC(C)C;ZQWGYXRKEFDOIT-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229135;MM229135;C#CC(C)(CC)CN(C)C;NPNVCCBVXJZRAA-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229136;MM229136;C#CC(C)(CF)CN(C)C;VDBQTFFQYJNNDN-UHFFFAOYSA-N;143.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229137;MM229137;C#CC(N)(CN)CN(C)C;RMRUGCVWECKYRC-UHFFFAOYSA-N;141.22;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229138;MM229138;C#CC(O)(CN)CN(C)C;WBVIDHZKELSWMD-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229139;MM229139;C#CC(C)(CN(C)C)NC;KPUQGHBFUBYPJQ-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229140;MM229140;C#CC(C)(CN(C)C)OC;SYHQMLYQNXKGHS-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229141;MM229141;C=CC(C)(C=C)CC(C)C;DKAWKENJDGXZRP-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229142;MM229142;C=CC(C)(C=O)CC(C)C;VOXLYVNSCJOPQS-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229143;MM229143;C=CC(C)(C#N)CC(C)C;RYMFQEZMBLMFTH-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229144;MM229144;C=CC(C)(C=C)CC(C)N;KYBWYQGJPHIFTB-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229145;MM229145;CC1(C)NC1C(C#N)CO;UJEOVOOSKZLZMB-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229146;MM229146;C=CC(C)(C=O)CC(C)O;SXPYMTQNGDMDTA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229147;MM229147;C=CC(C)(C#N)CC(C)O;WAJXJFIZZQXWFW-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229148;MM229148;C=CC(C)(C=C)CC(C)F;QIQPJSNBYRSXBT-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229149;MM229149;C=CC(C)(C=O)CC(C)F;FMCZTIQYYCKVPO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229150;MM229150;C=CC(C)(C#N)CC(C)F;DMYLWXRHARWRNM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229151;MM229151;CC(F)CC(C)(C#N)C#N;ZTCQDKWZVMDRAN-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229152;MM229152;C=CC(C)(C=C)CC(F)F;HXODIOHVLWLLDW-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229153;MM229153;C=CC(N)(C=C)CC(C)C;ZUWWXZSFKXVFIL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229154;MM229154;C=CC(N)(C=C)CC(C)O;XMPDYYPFUIUHMK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229155;MM229155;C=CC(N)(C=C)CC(F)F;NTUURDFDISQUAE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229156;MM229156;CC(COC(C)CO)=NN;CGTIKUKAYXHNNH-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229157;MM229157;C=CC(O)(C=O)CC(C)C;ZGRHZXRQVNOOLB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229158;MM229158;C=CC(O)(C#N)CC(C)C;YJXNIASZRWBJMT-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229159;MM229159;C=CC(O)(C=C)CC(C)N;HGPPPEMYGRXSCT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229160;MM229160;C=CC(O)(C=C)CC(C)O;QNVUOLLVGGOKPJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229161;MM229161;CC(O)CC(O)(C#N)C#N;QDVCAHBYKQRRRZ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229162;MM229162;C=CC(O)(C=C)CC(C)F;NAIOSGLGOQRXDY-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229163;MM229163;C=CC(O)(C#N)CC(C)F;GRDQLGRILHPBRI-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229164;MM229164;C=CC(O)(C=C)CC(F)F;AGJPAYRWYCQFQZ-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229165;MM229165;C=CC(O)(C#N)CC(F)F;ZYQJLKPLCPNVMQ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229166;MM229166;C=CC(F)(C=C)CC(C)C;YQWDJEAKUGQHJK-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229167;MM229167;C=CC(F)(C=C)CC(C)N;WSIGYXJJLAKNCP-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229168;MM229168;C=CC(F)(C=C)CC(F)F;MGMFGQGPIOANFB-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229169;MM229169;N#CC(F)(C=O)CC(F)F;SCNUGWZSTFZSAN-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229170;MM229170;N#CC(F)(C#N)CC(F)F;LJYPVWIHARGGSK-UHFFFAOYSA-N;148.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229171;MM229171;C=CC(C)(C#N)NC(C)C;ZFRZNPRFCRKXRV-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229172;MM229172;CC(C)NC(C)(C#N)C=O;PWVIJARYBJGTPK-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229173;MM229173;C=CC(C)(C=C)OC(C)C;XRTMFSWZIVZWBT-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229174;MM229174;C=CC(C)(C=O)OC(C)C;XBPAERQAFHASRO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229175;MM229175;C=CC(C)(C#N)OC(C)C;OITWQXBSUYJPOX-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229176;MM229176;CC(C)OC(C)(C=O)C=O;KIWYOYKZUQPGJJ-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229177;MM229177;CC(C)OC(C)(C#N)C=O;YFPDAWZBUJLYNW-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229178;MM229178;C=CC(C)(C=C)CN(C)C;VICWIJNLTGFKMK-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229179;MM229179;C=CC(N)(C=C)CN(C)C;VRETWXFMCUEJJV-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229180;MM229180;C=CC1(CO)CN1C(C)C;DRBFNDCXOMSXRF-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229181;MM229181;CN(C)CC(F)(C=O)C=O;CTFPFZZUBDCTKS-UHFFFAOYSA-N;147.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229182;MM229182;C#CC(C)(C=C)CC(C)C;VPZXAIMEAWELJS-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229183;MM229183;C#CC(C)(C#N)CC(C)C;QIIJBCNTXAWELO-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229184;MM229184;C#CC(C)(C=C)CC(C)N;YERQROVIMBVOEQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229185;MM229185;CNC(=O)CC1(CO)CN1;TUIHTWJRGBXOQJ-UHFFFAOYSA-N;144.17;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229186;MM229186;C#CC(C)(C=C)CC(C)F;LADDNRMVFCIITC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229187;MM229187;C#CC(C)(C#N)CC(C)F;IVADKPQMTGACCY-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229188;MM229188;C#CC(C)(C#N)CC(F)F;VABWUSTVLXWOHG-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229189;MM229189;C#CC(N)(C=C)CC(C)C;ONTHDEXGSSBELY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229190;MM229190;C#CC(N)(C=C)CC(C)O;OTXKQLIRGWLGKY-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229191;MM229191;C#CC(N)(C=C)CC(F)F;NBOJXPHHIPCKSO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229192;MM229192;C#CC(O)(C=C)CC(C)C;ZLELTCPLVOEBFU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229193;MM229193;C#CC(O)(C=C)CC(C)N;XBDHCAZFICXDQU-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229194;MM229194;C#CC(O)(C=C)CC(F)F;OTNHAHMZDHSNEG-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229195;MM229195;C#CC(F)(C=C)CC(C)C;ZWKMVVBCGZLEHS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229196;MM229196;C#CC(F)(C#N)CC(C)C;QMRAVZXXSMTQHY-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229197;MM229197;C#CC(F)(C=C)CC(C)O;XALKOZSKWBWNSD-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229198;MM229198;C#CC(F)(C=C)CC(C)F;JCBBGBDJUUENSW-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229199;MM229199;C#CC(F)(C=C)CC(F)F;WZHPLCWXPZUOSP-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229200;MM229200;C#CC(C)(C=C)NC(C)C;QGJDMCZKNPDECX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229201;MM229201;C#CC(C)(C=C)OC(C)C;FSGCXTXLTFLZFQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229202;MM229202;C#CC(C)(C#N)OC(C)C;ARBCCOIQYDJRAJ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229203;MM229203;C#CC(C)(C=C)CN(C)C;KSEHDUMKNXTPIS-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229204;MM229204;C#CC(C)(C#C)CC(C)C;AZNOZLUJOJOUAC-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229205;MM229205;C#CC(C)(C#C)CC(C)N;WISOQRTWYHXUSL-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229206;MM229206;CC(CO)N(C)N=CCO;BWOGWWDKPDBNLJ-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229207;MM229207;C#CC(C)(C#C)CC(C)F;AWFFRXBRSKIXRJ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229208;MM229208;C#CC(C)(C#C)CC(F)F;YSUBCKXYVBXIIO-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229209;MM229209;C#CC(O)(C#C)CC(C)O;OOLLYASCDIPVAM-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229210;MM229210;C#CC(F)(C#C)CC(C)C;LTIPFGUQMPPDJS-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229211;MM229211;C#CC(F)(C#C)CC(C)N;MYYGXMMSYBABPK-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229212;MM229212;C#CC(F)(C#C)CC(C)O;QBAIGCNMQACCGJ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229213;MM229213;C#CC(F)(C#C)CC(F)F;CJPGBVDEJHFMEX-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229214;MM229214;C#CC(C)(C#C)OC(C)C;GZRIJBZLYYGTKA-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229215;MM229215;C#CC(C)(C#C)CN(C)C;ILZAQJRNVMPIOU-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229216;MM229216;C=C(C)CC(C)(CC)CC;CQICCCZTBSPPCZ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229217;MM229217;C=C(C)CC(C)(CC)CN;ZOVIHLKTQSBRQU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229218;MM229218;C=C(C)CC(C)(CN)CF;ASJNRPGRLXJPHY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229219;MM229219;C=C(C)CC(C)(CO)CO;INJSPCBEGJBGSM-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229220;MM229220;C=C(C)CC(C)(CF)CF;DXAOCIVJCWWNDU-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229221;MM229221;CCC(C)(CC)CC(C)=O;XLWJLRFQMWCFLB-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229222;MM229222;CC(=O)CC(C)(CO)CF;IFDNUDLCEGKIEG-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229223;MM229223;CC(=O)CC(C)(CF)CF;MYUITLWRIIDZHJ-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229224;MM229224;CCC(C)(CC)CC(=N)N;VRPBMYHPFVPYDK-UHFFFAOYSA-N;142.25;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229225;MM229225;CC(CN)(CN)CC(=N)N;WJHGLNJAFJLHFW-UHFFFAOYSA-N;144.22;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229226;MM229226;CC(CO)OCCC=NN;PEFVQWXUCAOMCR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229227;MM229227;CCC(C)(CO)CC(N)=O;QIBQPPNJCWDIIR-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229228;MM229228;CNN=CCOC(C)CO;ZYRIQCWDQJUVLD-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229229;MM229229;CC(CN)(CN)CC(N)=O;YRLYQNYSJUKMNT-UHFFFAOYSA-N;145.21;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229230;MM229230;CCC(C)(CC)CC(=O)O;LYLOGSAMXQCTRG-UHFFFAOYSA-N;144.21;2.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229231;MM229231;CCC(C)(CF)CC(=O)O;AKRDJDXTNPAQGR-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229232;MM229232;C=C(F)CC(C)(CC)CC;QRKSZQZHWLQNIQ-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229233;MM229233;C=C(F)CC(C)(CC)CN;PEOIKFUTDHQNGM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229234;MM229234;C=C(F)CC(C)(CN)CF;NSZXCNOMFBBFSP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229235;MM229235;C=C(C)CC(N)(CC)CC;BKBMVSIOAWVKFL-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229236;MM229236;C=C(C)CC(N)(CN)CF;AAVSIROAOLLOOC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229237;MM229237;CCC(N)(CN)CC(=N)N;SFKWMOCRHMTZRQ-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229238;MM229238;CCC(N)(CO)CC(=N)N;JWCRMZNIKHRJIP-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229239;MM229239;N=C(N)CC(N)(CN)CO;OGOVRFINKREWQN-UHFFFAOYSA-N;146.19;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229240;MM229240;N=C(N)CC(N)(CO)CO;DRQURONEJYBESS-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229241;MM229241;CCC(N)(CO)CC(N)=O;PEBRNJOSNOPNSF-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229242;MM229242;NC(=O)CC(N)(CO)CO;MDRFRZTYUPJULT-UHFFFAOYSA-N;148.16;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229243;MM229243;C=C(F)CC(N)(CC)CC;BHUHIGFQCOQXKV-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229244;MM229244;C=C(F)CC(N)(CN)CF;QLEDVSVJVIQDLX-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229245;MM229245;CC=NNC(C=O)C(C)O;YYIDFMGEZUTWQJ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229246;MM229246;C=C(C)CC(O)(CN)CN;ASIMORDCKKOTKJ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229247;MM229247;CC(=O)CC(O)(CO)CO;UXPXPJJTADNEEQ-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229248;MM229248;CCC(O)(CC)CC(=N)N;QMAVSACXXKXNFX-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229249;MM229249;CCC(O)(CN)CC(=N)N;RGHMAIUILAJLCG-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229250;MM229250;N=C(N)CC(O)(CO)CO;BPEHYTRYENOLPB-UHFFFAOYSA-N;148.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229251;MM229251;CCC(O)(CC)CC(N)=O;FAGUNKPRMOAWSA-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229252;MM229252;CCC(O)(CO)CC(N)=O;RVIAAIXIDLQBIR-UHFFFAOYSA-N;147.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229253;MM229253;NCC(O)(CO)CC(N)=O;QFTMECKLNQBRQG-UHFFFAOYSA-N;148.16;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229254;MM229254;NC(=O)CC(O)(CO)CO;SOPNEQHZOXKCJY-UHFFFAOYSA-N;149.15;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229255;MM229255;CCCC(=O)C(CF)=NO;NNSSPTKKBYFVQU-UHFFFAOYSA-N;147.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229256;MM229256;C=C(CCC(=O)O)C(C)O;FTOVZFXETAQQEP-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229257;MM229257;Cn1nc(F)c(F)c1O;LBPVUYBYLQFRLY-UHFFFAOYSA-N;134.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229258;MM229258;C=C(F)CC(O)(CC)CC;HPCTUQOKAYKIJS-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229259;MM229259;C=C(F)CC(O)(CN)CF;BSXDYUJOQJAMSC-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229260;MM229260;C=C(C)CC(F)(CC)CC;USXGMNFEIZJNDG-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229261;MM229261;C=C(C)CC(F)(CC)CN;RAJDGCJDHHVISZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229262;MM229262;C=C(C)CC(F)(CN)CN;JYXOHVRDVHSVDC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229263;MM229263;C=C(C)CC(F)(CN)CF;JESZWIFMDTXGCE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229264;MM229264;CCC(F)(CC)CC(C)=O;RKTGDZMQQYQURY-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229265;MM229265;CCC(F)(CC)CC(=N)N;HHMOTXZSBBLOIE-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229266;MM229266;N=C(N)CC(F)(CN)CN;CKVJDNXQYDSOIE-UHFFFAOYSA-N;148.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229267;MM229267;N=C(N)CC(F)(CO)CO;UHXLWJRBLUJGKV-UHFFFAOYSA-N;150.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229268;MM229268;CCC(F)(CC)CC(N)=O;DTXBKLYTKNNNIX-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229269;MM229269;NC(=O)CC(F)(CO)CO;DJYSRBYHVPYKSA-UHFFFAOYSA-N;151.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229270;MM229270;Cn1nc2[nH]c(=O)cc-2[nH]1;FPJOLILJBNUAAP-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229271;MM229271;CCC(F)(CF)CC(=O)O;WODYGXSOOIBXIL-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229272;MM229272;Cc1c(O)nn(N)c1F;YIZTYKXONWZGTB-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229273;MM229273;O=C(O)CC(F)(CF)CF;JJTSRCUURLYRGH-UHFFFAOYSA-N;156.1;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229274;MM229274;C=C(F)CC(F)(CC)CN;YFBBSJSFAYCNJI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229275;MM229275;C=C(F)CC(F)(CN)CN;RRAGNZUCLSGWBA-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229276;MM229276;C=C(F)CC(F)(CN)CF;IURYTWSJZVIRTI-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229277;MM229277;C=C(C)CC(C)(CC)NC;OUVKMMRHGHUBMY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229278;MM229278;C=C(C)CC(C)(CF)NC;PQVOQEODGHBZCE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229279;MM229279;CCC(C)(CC(C)=O)NC;GUCZYODVPBXCHN-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229280;MM229280;C=C(F)CC(C)(CC)NC;HPMJQRQCFNEORM-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229281;MM229281;C=C(F)CC(C)(CF)NC;ROZWMXIQUIXHQZ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229282;MM229282;C=C(C)CC(C)(CC)OC;OAMHJZUJSGYUPV-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229283;MM229283;C=C(C)CC(C)(CN)OC;XALWDJMKLBWGJH-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229284;MM229284;CCC(C)(CC(C)=O)OC;XCFKHAPDPZGAMG-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229285;MM229285;COC(C)(CO)CC(=N)N;LKIZCMNUIHWYNO-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229286;MM229286;COC(C)(CO)CC(N)=O;YSXCCLBCTJZJRR-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229287;MM229287;C=C(F)CC(C)(CO)OC;ZLSWRUWLUMQMPZ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229288;MM229288;C=C(C)CC(C)(OC)OC;KUOWKXQUUNGMRA-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229289;MM229289;COC(C)(CC(=N)N)OC;JAAIVQHSWOVTOR-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229290;MM229290;COC(C)(CC(N)=O)OC;PVDCLYDBXQWADP-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229291;MM229291;CCC(C)(CC)NC(C)=N;QOAUFFRMZSYFLF-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229292;MM229292;CCC(C)(CF)NC(C)=N;RBZIUZCTCNJEHN-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229293;MM229293;CC(=N)NC(C)(CO)CO;CTWMCLKTPHOCDG-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229294;MM229294;CCC(C)(CC)NC(=N)N;TWPQEMPPGOPXBW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229295;MM229295;CCC(C)(CN)NC(=N)N;YIFXAJYDOGDHGS-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229296;MM229296;CC(CN)(CN)NC(=N)N;IQPUNLHDEITPGD-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229297;MM229297;CC(CF)(CF)NC(=N)N;MOVGJRHPCWBYPL-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229298;MM229298;CCC(C)(CN)NC(N)=O;ZFPWUJMHBGHYEM-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229299;MM229299;CCC(C)(CO)NC(N)=O;UNGMXRIMFKAUFF-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229300;MM229300;CC(CN)(CN)NC(N)=O;VPZKWLMSNIILEZ-UHFFFAOYSA-N;146.19;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229301;MM229301;CC(CO)(CO)NC(N)=O;HBVFGGIFPXMMBP-UHFFFAOYSA-N;148.16;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229302;MM229302;C=C(C)OC(C)(CC)CC;GSLDZJZFCXFDSL-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229303;MM229303;C=C(C)OC(C)(CC)CN;AAMPHRBCYMDTNT-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229304;MM229304;C=C(C)OC(C)(CN)CN;BZYYMOPHLTXYNF-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229305;MM229305;C=C(C)OC(C)(CN)CF;DYMANYMKOGJYGW-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229306;MM229306;CCC(C)(CC)OC(=N)N;QMVBDUKXLHYSBD-UHFFFAOYSA-N;144.22;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229307;MM229307;CCC(C)(CN)OC(=N)N;POSZWLRUMPNRCN-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229308;MM229308;CCC(C)(CO)OC(=N)N;CYCUOQNZZAMFMO-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229309;MM229309;CC(CO)(CO)OC(=N)N;BEPRWSNHWFYMIJ-UHFFFAOYSA-N;148.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229310;MM229310;CCC(C)(CF)OC(N)=O;OUROMQCRKFYUCX-UHFFFAOYSA-N;149.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229311;MM229311;COC(C)(CN)OC(C)=O;DSQIIKSIMQELRU-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229312;MM229312;CCC(C)(OC)OC(=N)N;SSQAUKBYVGETOI-UHFFFAOYSA-N;146.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229313;MM229313;COC(C)(CF)OC(=N)N;NLGGGVUGFSOXGJ-UHFFFAOYSA-N;150.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229314;MM229314;COC(C)(CO)OC(N)=O;DQXIUCUWYYOADO-UHFFFAOYSA-N;149.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229315;MM229315;C=CC(C)(CC)CC(=C)C;WRAKVBXPUYCKGS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229316;MM229316;C=C(C)CC(C)(C=O)CC;ZCBWFWYWNUCTJV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229317;MM229317;C=CC(C)(CN)CC(=C)C;QXMNCTTWYMXHML-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229318;MM229318;C=C(C)CC(C)(C#N)CO;XRRWAIIIGPOCGC-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229319;MM229319;C=CC(C)(CF)CC(=C)C;SGXDARUSFNTIDK-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229320;MM229320;C=C(C)CC(C)(C=O)CF;NEPOWGZMDVNKFP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229321;MM229321;C=C(C)CC(C)(C#N)CF;NIJIOUQHVIGBSA-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229322;MM229322;C=CC(C)(CC)CC(C)=O;HAATVSUVFYOAFK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229323;MM229323;CCC(C)(C=O)CC(C)=O;XZQIQTUPIPWIDY-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229324;MM229324;CCC(C)(C#N)CC(C)=O;LHGURLRSARODEP-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229325;MM229325;CC(=O)CC(C)(C=O)CO;GAYKUTYUEUSPEP-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229326;MM229326;C=CC(C)(CC)CC(=N)N;FSMIJQCGEDGTSU-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229327;MM229327;CCC(C)(C=O)CC(=N)N;QUSYMYPXMSTPJW-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229328;MM229328;CCC(C)(C#N)CC(=N)N;WRZLPXCJFGYHLP-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229329;MM229329;C=CC(C)(CO)CC(=N)N;QCEZDTHWTQBTKB-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229330;MM229330;CC(C#N)(CO)CC(=N)N;HQJSOQBWZHNBEP-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229331;MM229331;CC12CC(=NN)CC1C2O;CHQZZMMINXFPMZ-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229332;MM229332;CCC(C)(C#N)CC(N)=O;QJNYQQYDLHRBMZ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229333;MM229333;C=CC(C)(CO)CC(N)=O;LHEFGQGBXRYESN-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229334;MM229334;CC(C#N)(CO)CC(N)=O;GVTGJRNWLGBGLD-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229335;MM229335;CC(C#N)(CF)CC(N)=O;ITHAXSVCHYWTBQ-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229336;MM229336;C=CC(C)(CC)CC(=O)O;ROTYJZOLJHGXTA-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229337;MM229337;CCC(C)(C#N)CC(=O)O;PHXMLZVWQTYHDI-UHFFFAOYSA-N;141.17;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229338;MM229338;CCN1CC1C(C#N)=NO;FOEOMNAANJQBAC-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229339;MM229339;C=CC(C)(CF)CC(=O)O;CPLLDSUSRJJNQR-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229340;MM229340;C=CC(C)(CC)CC(=C)F;PLELGGMKSYMTTM-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229341;MM229341;C=C(F)CC(C)(C=O)CC;KJIWGFOZCDGGPK-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229342;MM229342;C=CC(C)(CN)CC(=C)F;FAWHPCHBHWQIFZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229343;MM229343;C=CC(C)(CO)CC(=C)F;OCRZQVHDFNOVCM-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229344;MM229344;C=C(F)CC(C)(C=O)CO;GFWYDPSMGVNGRA-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229345;MM229345;C=C(F)CC(C)(C#N)CO;SZKROPFAOBWUFR-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229346;MM229346;C=C(F)CC(C)(C=O)CF;LKKPPVHPPLNAHF-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229347;MM229347;C=C(F)CC(C)(C#N)CF;ZBWPMMCAHSJNED-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229348;MM229348;C=CC(N)(CC)CC(=C)C;GXMCWOMVLFCOND-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229349;MM229349;C=CC(N)(CN)CC(=C)C;FGLLGPXPZPMRGH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229350;MM229350;C=CC(N)(CO)CC(=C)C;ZWXKIBCHKMBGTF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229351;MM229351;C=CC(N)(CC)CC(=N)N;LUEWSPGBMZXSST-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229352;MM229352;C=CC(N)(CN)CC(=N)N;YOLDVDDPNTZFNE-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229353;MM229353;C=CC(N)(CF)CC(=N)N;LDFLLQSHVOCXCZ-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229354;MM229354;C=CC(N)(CC)CC(N)=O;SGEZIUCYBBYFNX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229355;MM229355;C=CC(N)(CN)CC(N)=O;UIRWLKQLUBLQIL-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229356;MM229356;C=CC(N)(CC)CC(=C)F;PVNPHMXUBKGYJV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229357;MM229357;CCC1(O)CC2C(C1)N2C;ZXMBAOJSJBYDFX-UHFFFAOYSA-N;141.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229358;MM229358;C=C(C)CC(O)(C#N)CC;BYSACTGZALLFEG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229359;MM229359;C=CC(O)(CN)CC(=C)C;ANUQIKJJSTVQHE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229360;MM229360;C=CC(O)(CO)CC(=C)C;VUQVAXVGDYKKTR-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229361;MM229361;C=CC(O)(CC)CC(C)=O;BALGDNDSJHPMLK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229362;MM229362;CC(=O)CC(O)(C#N)CF;QKQHNAPHSZBGSV-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229363;MM229363;N=C(N)CC(O)(C=O)CO;FNQXEFVDQLTOFX-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229364;MM229364;N#CC(O)(CO)CC(=N)N;FMRNPDSZXAFULU-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229365;MM229365;N#CC(O)(CF)CC(=N)N;QGCDUPADQRSKFT-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229366;MM229366;C=CC(O)(CC)CC(N)=O;XENMJZXHJAKQQC-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229367;MM229367;CCC(O)(C=O)CC(N)=O;UVJPIWHBDKRFDL-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229368;MM229368;C=CC(O)(CN)CC(N)=O;OXWNBCGAQMPORZ-UHFFFAOYSA-N;144.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229369;MM229369;NC(=O)CC(O)(C=O)CO;NCUUHCDMIBWSPZ-UHFFFAOYSA-N;147.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229370;MM229370;N#CC(O)(CO)CC(N)=O;YSRLYFIRSPROJX-UHFFFAOYSA-N;144.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229371;MM229371;N#CC(O)(CF)CC(N)=O;QNEBYEBYEAXLNB-UHFFFAOYSA-N;146.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229372;MM229372;Nc1noc(N)c1O;UWWBUPMESMYMIE-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229373;MM229373;Cc1nc(=O)[nH]nnc1=O;WRENFJKIFUFXBZ-UHFFFAOYSA-N;140.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229374;MM229374;O=C1NC(=CO)C=C1F;DTWDKTLGWSQRGF-UHFFFAOYSA-N;129.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229375;MM229375;C=CC(O)(CC)CC(=C)F;QCLNKNDPGQIQKS-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229376;MM229376;C=C(F)CC(O)(C=O)CO;MSZVAUUAAZYWCE-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229377;MM229377;C=C(F)CC(O)(C#N)CF;WYTDDZDJNMYSQN-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229378;MM229378;C=CC(F)(CC)CC(=C)C;LECDVPIKOQGDIG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229379;MM229379;C=CC(F)(CN)CC(=C)C;QQWBATQPYKWTCE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229380;MM229380;C=CC(F)(CC)CC(C)=O;WOQVKRRBMQWDBL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229381;MM229381;CC(=O)CC(F)(C=O)CO;BXMFRRKAZAOIJT-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229382;MM229382;C=CC(F)(CC)CC(=N)N;TVMLGQJGELQLAQ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229383;MM229383;C=CC(F)(CN)CC(=N)N;XCDDARCCRLSIMU-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229384;MM229384;N=C(N)CC(F)(C=O)CO;HSEYKWRXEHOHNO-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229385;MM229385;N#CC(F)(CO)CC(N)=O;JJMZXDLSTDSIRC-UHFFFAOYSA-N;146.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229386;MM229386;C=CC(F)(CC)CC(=O)O;BBUJGXTXNDGIFA-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229387;MM229387;COc1nc(=O)c(C)n[nH]1;ZGUOQOPWWYANGX-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229388;MM229388;ON=c1nncc(O)o1;XAKGWLBKUPDUJW-UHFFFAOYSA-N;129.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229389;MM229389;N#CC(F)(CF)CC(=O)O;BGQFKTYGVNFOOG-UHFFFAOYSA-N;149.1;0.66;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229390;MM229390;C=C(F)CC(F)(C#N)CO;ARRUYYAQIDIBFL-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229391;MM229391;C=CC(C)(CC(=C)C)NC;GASSQQPKGUCNKZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229392;MM229392;C=CC(C)(CC(=N)N)NC;AYBANNCIQKAJSZ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229393;MM229393;CNC(C)(C#N)CC(=N)N;GNJHTDXHMZREEJ-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229394;MM229394;C=CC(C)(CC(N)=O)NC;PTMATAVPTFFGGC-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229395;MM229395;CNN(C=O)C(=CF)CO;DNSKQKQQZNKKAF-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229396;MM229396;C=CC(C)(CC(=C)F)NC;OULDVDYMGYVHAO-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229397;MM229397;C=C(F)CC(C)(C#N)NC;YAOOPIXARPOETA-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229398;MM229398;C=CC(C)(CC(=C)C)OC;YJLVGHKXABCIRB-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229399;MM229399;C=C(C)CC(C)(C#N)OC;FKWRTWWJKOTQAC-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229400;MM229400;CCc1[nH]nc(F)c1O;PQUPACHGERELMH-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229401;MM229401;C=CC(C)(CC)NC(C)=N;MJYGXZDBHGJBMF-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229402;MM229402;CCC(C)(C=O)N=C(C)N;HVYAIBURTRJNIZ-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229403;MM229403;CCC(C)(C#N)NC(C)=N;GGGBINCCUSJKAG-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229404;MM229404;C=CC(C)(CN)NC(C)=N;JTNFSVVNYKUPIX-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229405;MM229405;CC(=N)NC(C)(C=O)CO;GSVJFFACSUPVCL-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229406;MM229406;C=CC(C)(CF)NC(C)=N;WNHLHQPKZWHRTK-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229407;MM229407;CC(=N)NC(C)(C=O)CF;AINXMNSEDPPENZ-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229408;MM229408;CCC(CO)NN=CCO;SIOHRISNJMAQKP-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229409;MM229409;CC(=O)NC(C)(C#N)CF;YGQMSHYSGSZLTJ-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229410;MM229410;C=CC(C)(CC)NC(=N)N;DIPLAQCHETZKCC-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229411;MM229411;C=CC(C)(CN)NC(=N)N;YYSMHVGYBHRKOC-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229412;MM229412;C=CC(C)(CC)NC(N)=O;MYZYIVPBVCGRSY-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229413;MM229413;C=CC(C)(CF)NC(N)=O;LBRNENPKKHHJQC-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229414;MM229414;C=CC(C)(CC)OC(=C)C;VUNMRMTZJPAHSX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229415;MM229415;C=C(C)OC(C)(C=O)CC;NYEMGCWCZGPGLQ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229416;MM229416;C=C(C)OC(C)(C#N)CC;HQDBVQJBKGETQA-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229417;MM229417;C=CC(C)(CN)OC(=C)C;BJRVRKNOPDLKQM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229418;MM229418;CCC(C)(C#N)OC(C)=O;KDXFFTRVSGVZQW-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229419;MM229419;CC(=O)OC(C)(C#N)CO;UYPNQURXMKAASC-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229420;MM229420;C=CC(C)(CC)OC(=N)N;WOMPQAPJPCLQPI-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229421;MM229421;C=CC(C)(CN)OC(=N)N;MILXITYONHQBKY-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229422;MM229422;C=CC(C)(CF)OC(=N)N;JJPVMCNKIIDEMX-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229423;MM229423;CC(C#N)(CF)OC(N)=O;FFAYFCITJNXLKU-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229424;MM229424;C=C(C)OC(C)(C#N)OC;JNPOIYJLAWEANM-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229425;MM229425;COC(C)(C=O)OC(=N)N;MHPOGTSKRDBQDM-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229426;MM229426;COC(C)(C=O)OC(N)=O;AIQJYELLQLSQMS-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229427;MM229427;COC(C)(C#N)OC(N)=O;GJUYRPXDWCRQPE-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229428;MM229428;C#CC(C)(CC)CC(=C)C;VDBXYRQKCTVHKC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229429;MM229429;C#CC(C)(CN)CC(=C)C;SMDVWNJCFSJZGX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229430;MM229430;C=NNC(C)C(C#N)CO;HVRDDKPMOIHCPD-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229431;MM229431;C#CC(C)(CF)CC(=C)C;UEZBXKAQWLDJKL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229432;MM229432;C#CC(C)(CC)CC(C)=O;MXVNHOJAXSXIJX-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229433;MM229433;C#CC(C)(CC)CC(=N)N;AKJUXIHKNSNFPF-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229434;MM229434;C#CC(C)(CF)CC(=N)N;GUETVFOQRKNADT-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229435;MM229435;N#CC1=NC2CC2(CO)N1;ZXEUMBRJLNWQMM-UHFFFAOYSA-N;137.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229436;MM229436;C#CC(C)(CF)CC(N)=O;LVGNVAXJEKYJOO-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229437;MM229437;C#CC(C)(CF)CC(=O)O;PGFBVZQFYYUBJX-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229438;MM229438;C#CC(C)(CC)CC(=C)F;VGFRSAJKTIOMGP-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229439;MM229439;C#CC(C)(CN)CC(=C)F;OITSBJVPTZQACH-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229440;MM229440;C#CC(N)(CC)CC(=C)C;CTYISNCDVFLEGB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229441;MM229441;C#CC(N)(CF)CC(=N)N;HTBIFKMTNXXMFD-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229442;MM229442;C#CC(N)(CC)CC(N)=O;VFFUBVROAHTGRT-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229443;MM229443;C#CC(N)(CC)CC(=C)F;BSEDPTIEROPOON-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229444;MM229444;C#CC(N)(CN)CC(=C)F;LQSJOBWMVPNUKX-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229445;MM229445;C#CC(N)(CO)CC(=C)F;PIOQBYWLOKZJMQ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229446;MM229446;C#CC(O)(CC)CC(=C)C;BPAJZOSFZUQFNK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229447;MM229447;C#CC(O)(CO)CC(=N)N;DCPPZYPGKLDRGU-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229448;MM229448;C#CC(O)(CC)CC(N)=O;DWRSIVZLZCVRBK-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229449;MM229449;C#CC(O)(CO)CC(N)=O;CKQBDQOVBIQWGK-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229450;MM229450;C=Cc1noc(C)c1O;DHMDAHJNVXQMLO-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229451;MM229451;C#CC(O)(CN)CC(=C)F;DUEGKJMZNBXEDT-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229452;MM229452;C#CC(O)(CO)CC(=C)F;HATUUYXZPRXPMA-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229453;MM229453;C#CC(F)(CO)CC(=N)N;XONIOBGDOIMXSY-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229454;MM229454;C#CC(F)(CC)CC(=C)F;OSSQVXANZYMIEY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229455;MM229455;C#CC(F)(CO)CC(=C)F;PWCDKYBLPMCNOV-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229456;MM229456;C#CC(C)(CC(=C)C)NC;UBQAUJRZUYHJCX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229457;MM229457;C#CC(C)(CC(=C)F)NC;VDHLZVBXZFCUPJ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229458;MM229458;N#CC(O)(C=NO)CO;XRWAXCOKMRHZHB-UHFFFAOYSA-N;130.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229459;MM229459;C#CC(C)(CC(=C)F)OC;HKIQKRHVLKWCTM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229460;MM229460;C#CC(C)(CC)NC(C)=N;AWFPLRBLTYSATQ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229461;MM229461;C#CC(C)(CF)NC(C)=N;YTEZKWOJACTFSL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229462;MM229462;C#CC(C)(CF)NC(C)=O;SGSSJFKYIBCAPG-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229463;MM229463;C#CC(C)(CN)NC(=N)N;GVXRYISJJVHDBT-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229464;MM229464;C#CC(C)(CO)NC(=N)N;TZGCXGLTVFKOBW-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229465;MM229465;C#CC(C)(CN)NC(N)=O;NRNZXKIPHHCSHC-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229466;MM229466;C#CC(C)(CO)NC(N)=O;HHLRJFWMDNVBLL-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229467;MM229467;C#CC(C)(CC)OC(=C)C;CGSIBKVFZCKJEY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229468;MM229468;C#CC(C)(CO)OC(=C)C;WGRYCJXVYXYRQM-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229469;MM229469;C#CC(C)(CC)OC(C)=O;DTLIDVRKEFPSGM-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229470;MM229470;C#CC(C)(CC)OC(=N)N;SUFIEBXIKJFLBY-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229471;MM229471;C#CC(C)(CN)OC(=N)N;PJFZLFPGQWEQSU-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229472;MM229472;C#CC(C)(CF)OC(=N)N;QSICBIXFOJWVCC-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229473;MM229473;C#CC(C)(CC)OC(N)=O;GXCDLJXPZVCHBX-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229474;MM229474;C#CC(C)(CF)OC(N)=O;LUWOOCTZAYOXLQ-UHFFFAOYSA-N;145.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229475;MM229475;C#CC(C)(OC)OC(=C)C;UQDDIWVPLIENSG-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229476;MM229476;C=CC(C)(C=C)CC(=C)C;PAFLOTKCYHXMGI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229477;MM229477;C=CC(C)(C=O)CC(=C)C;XLKKCHPZCAKTNU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229478;MM229478;C=CC(C)(C#N)CC(=C)C;IKRWBVSQEGHHIQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229479;MM229479;C=C(C)CC(C)(C=O)C=O;LPVWDTKLVZNCCJ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229480;MM229480;C=C(C)CC(C)(C#N)C#N;HZRGPXOPAXWYJI-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229481;MM229481;C=CC(C)(C=C)CC(C)=O;LUGLZCDVYIYEHK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229482;MM229482;C=CC(C)(C#N)CC(C)=O;UHOLSAFRXUDMBP-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229483;MM229483;C=CC(C)(C=C)CC(=N)N;VPDLZLRCXCRLDI-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229484;MM229484;CCC1NC1C(C#N)CO;DGLIVQHJQLFRAU-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229485;MM229485;C=CC(C)(C=C)CC(=O)O;DFIJWUSZDHIAAI-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229486;MM229486;C=CC(C)(C#N)CC(=O)O;MOEGWUYXBHSOOT-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229487;MM229487;Cc1nn(O)c(O)c1F;ONPITHOTZFCWTO-UHFFFAOYSA-N;132.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229488;MM229488;C=CC(C)(C#N)CC(=C)F;QVEVLPKOLSZXDN-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229489;MM229489;C=C(F)CC(C)(C#N)C#N;ZGCZIADRNNYJKJ-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229490;MM229490;C=CC(N)(C=C)CC(=C)C;COUXRKDZBYJYGG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229491;MM229491;C=CC(N)(C=C)CC(=C)F;SMIFISNVUMPASS-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229492;MM229492;N#CC(CO)C1NC1C=O;BGXFBKOQLAWFRP-UHFFFAOYSA-N;140.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229493;MM229493;C=CC(O)(C=C)CC(C)=O;CMLMCMMVTSMLMZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229494;MM229494;CC(=O)CC(O)(C#N)C=O;OKWATNFNAJGHNP-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229495;MM229495;C=CC(O)(C=C)CC(=N)N;ALPXCYLEJGGZIU-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229496;MM229496;C=CC(O)(C#N)CC(=N)N;YBDSLNXNLARWHK-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229497;MM229497;N#CC(O)(C=O)CC(=N)N;KFEOQEKJYVOVRK-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229498;MM229498;N#CC(O)(C#N)CC(=N)N;DEZKGEUDVHZADW-UHFFFAOYSA-N;138.13;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229499;MM229499;C=CC(O)(C=C)CC(N)=O;JCABZEDPPKKLFF-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229500;MM229500;C=CC(O)(C#N)CC(N)=O;MJXSJTSHBHXAHH-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229501;MM229501;NC(=O)CC(O)(C=O)C=O;PQBXTLZYURIKRH-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229502;MM229502;N#CC(O)(C=O)CC(N)=O;DFMOXFOEUWVJEP-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229503;MM229503;N#CC(O)(C#N)CC(N)=O;FXQRDFNCVQTCFX-UHFFFAOYSA-N;139.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229504;MM229504;OCC(=NO)C(O)C=NO;NMKANAJMUYKKTF-UHFFFAOYSA-N;148.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229505;MM229505;O=c1nc[nH]c(=O)nn1;KPJXLESAGZMGFW-UHFFFAOYSA-N;126.08;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229506;MM229506;Cn1c(F)c(O)n(O)c1=O;VTKMUASLYVHPHJ-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229507;MM229507;CNc1oc(=O)oc1O;BNQZJWQHRUESIP-UHFFFAOYSA-N;131.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229508;MM229508;C=CC(O)(C=C)CC(=C)F;JVHSAUFNJZDFPH-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229509;MM229509;C=CC(O)(C#N)CC(=C)F;AYOKFBCRNWNONZ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229510;MM229510;C=CC(F)(C=C)CC(C)=O;NMSFEEHWXBBBSR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229511;MM229511;CC(=O)CC(F)(C=O)C=O;GOBKLPRXTGGEKN-UHFFFAOYSA-N;146.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229512;MM229512;N=C(N)CC(F)(C=O)C=O;XLWAECOPMKSDLB-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229513;MM229513;N#CC(F)(C=O)CC(=N)N;ILMCCOLQQYXWHH-UHFFFAOYSA-N;143.12;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229514;MM229514;N#CC(F)(C#N)CC(N)=O;VCXXBDVSDWWMQX-UHFFFAOYSA-N;141.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229515;MM229515;C=CC(F)(C=C)CC(=O)O;WYMIBOOBHUYTDU-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229516;MM229516;ON=c1oc(O)c(CF)o1;TYGVGHSVNWFBAJ-UHFFFAOYSA-N;149.08;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229517;MM229517;N#CC(F)(C#N)CC(=O)O;UNSUJEGTVLRXPA-UHFFFAOYSA-N;142.09;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229518;MM229518;C=CC(F)(C=C)CC(=C)F;NQFWOPHKYBUJAX-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229519;MM229519;C=CC(C)(C=C)NC(C)=N;WQLBUVGNHIVLFI-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229520;MM229520;C=CC(C)(C#N)NC(C)=N;AALMNJSJWKAZFK-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229521;MM229521;CC(=N)NC(C)(C=O)C=O;YKZJVLVNBFSLFT-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229522;MM229522;C=CC(C)(C#N)NC(C)=O;BRPWFEUSMPWJFZ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229523;MM229523;CC(=O)NC(C)(C=O)C=O;YHUNNPJVUWPZCA-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229524;MM229524;CC(=O)NC(C)(C#N)C=O;IJCQOPMJFABTKC-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229525;MM229525;C=CC(C)(C=C)NC(=N)N;SARSFDPVULVTCP-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229526;MM229526;C=CC(C)(C#N)NC(=N)N;FMNHSPSPQZCROM-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229527;MM229527;CC(C=O)(C=O)NC(=N)N;CVUALNKALORQAD-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229528;MM229528;CC(C#N)(C=O)NC(N)=O;JSWHVOWOJJUJER-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229529;MM229529;C=CC(C)(C=C)OC(=C)C;UAECVXDFOCXGMD-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229530;MM229530;C=CC(C)(C#N)OC(=C)C;FKERMZCCLOADMS-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229531;MM229531;C=C(C)OC(C)(C#N)C=O;ACRZMPTUZZDPSN-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229532;MM229532;C=C(C)OC(C)(C#N)C#N;YYRPVSJMOOIDPL-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229533;MM229533;C=CC(C)(C#N)OC(C)=O;PTQNUFYSWMKKJS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229534;MM229534;C=CC(C)(C=C)OC(=N)N;RPIUGSBFRQTVMW-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229535;MM229535;CC(C=O)(C=O)OC(=N)N;MHDGIFDHPPYMCY-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229536;MM229536;C=CC(C)(C=C)OC(N)=O;CAYGFRHDTIDEAM-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229537;MM229537;C=CC(C)(C#N)OC(N)=O;QOVWEXZLTQRXDO-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229538;MM229538;CC(C=O)(C=O)OC(N)=O;PKYDQDJHGLHHPK-UHFFFAOYSA-N;145.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229539;MM229539;C#CC(C)(C=C)CC(=C)C;ABDFLUGCTVCJMZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229540;MM229540;C#CC(C)(C=O)CC(=C)C;INMXMHHDJICGBB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229541;MM229541;C#CC(C)(C#N)CC(=C)C;NQEJNWGQLSRJLO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229542;MM229542;C#CC(C)(C=C)CC(C)=O;XEDXHUBBOHNAOH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229543;MM229543;C#CC(C)(C#N)CC(C)=O;ZZPMOZFFJVGKEM-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229544;MM229544;C#CC(C)(C=O)CC(=N)N;KCUOWXMRGRJTPW-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229545;MM229545;C#CC(C)(C=C)CC(N)=O;DWSNDSUVSIKZJI-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229546;MM229546;C#CC(C)(C#N)CC(=O)O;HWSXNXJWMJWYBV-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229547;MM229547;C#CC(C)(C#N)CC(=C)F;ZHQBHVYHJFENHF-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229548;MM229548;C#CC(N)(C=C)CC(=C)C;XMXKEHQMKXXCBP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229549;MM229549;C#CC(O)(C=O)CC(=N)N;YSOCVSFDDPYTKB-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229550;MM229550;C#CC(O)(C#N)CC(=N)N;AXXLSTNGJWWSFR-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229551;MM229551;C#CC(O)(C#N)CC(N)=O;LXGWHAFECZZWPP-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229552;MM229552;C=Cc1n[nH]c(O)nc1=O;YYGZWWRFPCCSJO-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229553;MM229553;CC=C(C)OCCC(=O)O;UTPKQGZGFQYJNN-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229554;MM229554;C#CC(O)(C=C)CC(=C)F;BWHVLIWVILTOMQ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229555;MM229555;C#CC(F)(C=C)CC(=C)C;LZMCFSGZJKSNSQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229556;MM229556;C#CC(F)(C#N)CC(=C)C;BIHXPRILRKARDQ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229557;MM229557;C#CC(F)(C=O)CC(=N)N;KMTPMWIZCYQJAH-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229558;MM229558;C#CC(F)(C#N)CC(=N)N;XMOHVOHQEVTKNR-UHFFFAOYSA-N;139.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229559;MM229559;CC(C)=COCCC(=O)O;UMGCHDYPHXSLHG-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229560;MM229560;C#CC(C)(C=C)NC(C)=N;AKHTUGPEPCDJPN-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229561;MM229561;C#CC(C)(C=O)NC(C)=O;NCSYNPHSIHQDNQ-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229562;MM229562;C#CC(C)(C=C)NC(=N)N;LGGIXSQQGGENJL-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229563;MM229563;C#CC(C)(C=O)NC(=N)N;BMNMYLCZFJYHTA-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229564;MM229564;C#CC(C)(C#N)NC(=N)N;BYIBWBIUTXAGAN-UHFFFAOYSA-N;136.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229565;MM229565;C#CC(C)(C=C)NC(N)=O;RAUHKGLGSHAMHA-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229566;MM229566;C#CC(C)(C#N)NC(N)=O;ZGXFBVIZHMZYJW-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229567;MM229567;C#CC(C)(C=C)OC(=C)C;UTJSWCQLZGSCIL-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229568;MM229568;C#CC(C)(C#N)OC(=C)C;PXRVTFARJWKPMJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229569;MM229569;C#CC(C)(C=C)OC(C)=O;DWDBLWSLSTWPFU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229570;MM229570;C#CC(C)(C=C)OC(=N)N;XWCZEVPHJUTXNR-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229571;MM229571;C#CC(C)(C=C)OC(N)=O;WCYARNWGQXKAGA-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229572;MM229572;C#CC(C)(C#C)CC(=C)C;XGXZCMZNQNEOOG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229573;MM229573;C#CC(C)(C#C)CC(C)=O;RFKPGJYDCKPQBQ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229574;MM229574;C#CC(C)(C#C)CC(=N)N;QNSDTQFQRZFLIM-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229575;MM229575;C#CC(C)(C#C)CC(N)=O;UAZMISDMXZLIBI-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229576;MM229576;C#CC(C)(C#C)CC(=O)O;VCACIZLTDVNQQC-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229577;MM229577;C#CC(C)(C#C)CC(=C)F;WCIRVXXMEWSCRC-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229578;MM229578;C#CC(F)(C#C)CC(=C)C;INYCWGDDDBDNRA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229579;MM229579;C#CC(F)(C#C)CC(C)=O;GIYJSKOBNFLWMK-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229580;MM229580;C#CC(F)(C#C)CC(=N)N;ZBGDZOSFUPAUQN-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229581;MM229581;C#CC(F)(C#C)CC(N)=O;SHSYSFORDDRQNE-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229582;MM229582;C#CC(F)(C#C)CC(=O)O;BQPOXXRECWSLLQ-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229583;MM229583;C#CC(C)(C#C)NC(C)=N;PNSARZQVRJLOFF-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229584;MM229584;C#CC(C)(C#C)NC(C)=O;IWVNRBVCXBISHN-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229585;MM229585;C#CC(C)(C#C)NC(=N)N;JUYWDHHHLGSHID-UHFFFAOYSA-N;135.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229586;MM229586;C#CC(C)(C#C)OC(=C)C;JXJWEXORLDESIH-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229587;MM229587;C#CC(C)(C#C)OC(C)=O;UTLOCKVYMFGTKL-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229588;MM229588;C#CC(C)(C#C)OC(N)=O;ADIWTSJUEKLGPQ-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229589;MM229589;CCC(C)(C=C(C)C)CC;WOSXWMDJNCNLJC-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229590;MM229590;CCC(C)(C=C(C)C)CN;WIIBCPSTZBQCLL-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229591;MM229591;C#CC1NC1C(C#N)CO;CYYNQKYPZRXOQY-UHFFFAOYSA-N;136.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229592;MM229592;CC(C)=CC(C)(CN)CF;FUTDCADSCLQSGD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229593;MM229593;CCC(C)(C=C(C)F)CC;LCLKYYCWZPSNPS-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229594;MM229594;CCC(C)(C=C(C)F)CN;JWMZMIPDNITFPX-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229595;MM229595;CCC(C)(C=C(C)F)CO;JKDOYELYYLBQPA-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229596;MM229596;CC(F)=CC(C)(CN)CF;TWZRVBYCUOVDEP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229597;MM229597;CC(F)=CC(C)(CF)CF;SLBPONDGMJPSHK-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229598;MM229598;CCC(C)(C=C(F)F)CC;UYSZOOXJIWUIFO-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229599;MM229599;CCC(C)(C=C(F)F)CN;DYYNCZZLRZAEFQ-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229600;MM229600;CC(C=C(F)F)(CO)CO;BKNFIRMMRNFHME-UHFFFAOYSA-N;152.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229601;MM229601;CCC(N)(C=C(C)C)CC;MAULFPWPMIIPNL-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229602;MM229602;CCC(N)(C=C(C)C)CF;PNZZGPSNYRVRRY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229603;MM229603;CC(C)=CC(N)(CN)CF;GBBPWPFNOMLZNJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229604;MM229604;CCC(N)(C=C(C)F)CC;VLLPGUYNJPYWTD-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229605;MM229605;CCC(N)(C=C(C)F)CF;UHQGVROMIOAXAA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229606;MM229606;CC(F)=CC(N)(CN)CF;DSDIPKNBNOLKGC-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229607;MM229607;CCC(N)(C=C(F)F)CC;YKRQZUMBHALXNK-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229608;MM229608;NC(C=C(F)F)(CO)CO;VNSUUYRNXRZSPS-UHFFFAOYSA-N;153.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229609;MM229609;C=C(C(C#N)CO)C1CN1;VLPXENANMKLRKL-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229610;MM229610;CC(C)=CC(O)(CN)CF;LGDDSWATYBJCRZ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229611;MM229611;CCC(O)(C=C(C)F)CC;CSVMPWRRUNAPAM-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229612;MM229612;CC(F)=CC(O)(CO)CO;KMKXKZDHILFWBZ-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229613;MM229613;CCC(O)(C=C(F)F)CO;DVXXWCLIAJHZQG-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229614;MM229614;OCC(O)(C=C(F)F)CO;WXXYIZRZGYOXPG-UHFFFAOYSA-N;154.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229615;MM229615;OCC(O)(C=C(F)F)CF;OQWUARHKCKGNHK-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229616;MM229616;CCC(F)(C=C(C)C)CN;MFBCSCPLWHCYGB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229617;MM229617;CC(C)=CC(F)(CN)CN;BLRZEKWPKLQIKV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229618;MM229618;CC(C)=CC(F)(CN)CF;UUONUQZHPRPLJT-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229619;MM229619;CC(C)=CC(F)(CF)CF;XYRUGZLAORNUMR-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229620;MM229620;CCC(F)(C=C(C)F)CN;IPRPIROXDOAWOO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229621;MM229621;CC(F)=CC(F)(CN)CN;BPZHPTRDXBGLKM-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229622;MM229622;CCC(F)(C=C(F)F)CN;LWQCCWAOBISMNE-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229623;MM229623;NCC(F)(C=C(F)F)CN;QCDZCDKYABUKSH-UHFFFAOYSA-N;154.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229624;MM229624;NCC(F)(C=C(F)F)CO;RSFAOMLEOKEMIN-UHFFFAOYSA-N;155.12;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229625;MM229625;CCC(C)(C=C(C)C)NC;QJOPRDABUIEURG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229626;MM229626;COC(C)(C=C(C)F)CN;OGEPZNMGUXEKMW-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229627;MM229627;COC(C)(C=C(C)F)CO;CMHQORFXKATFGD-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229628;MM229628;COC(C)(C=C(C)C)OC;UMGCQEGXTLAPFY-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229629;MM229629;COC(C)(C=C(C)F)OC;ARWRIFQVZWYSAF-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229630;MM229630;COC(C)(C=C(F)F)OC;BJTRZRNZAYXRDF-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229631;MM229631;C=CC(C)(C=C(C)C)CC;UKOUHAUZOGCLTE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229632;MM229632;CCC(C)(C=O)C=C(C)C;IYTMVGVTXBQUJB-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229633;MM229633;CCC(C)(C#N)C=C(C)C;NAWLEJJYFDZDPA-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229634;MM229634;C=CC(C)(C=C(C)C)CN;HOJWDIQMWCDMIJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229635;MM229635;CNc1ccc(NO)nc1;YTIUEHNHPPISHM-UHFFFAOYSA-N;139.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229636;MM229636;CC(C)=CC(C)(C#N)CO;PWXOZTNMACMOSH-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229637;MM229637;CC(C)=CC(C)(C=O)CF;UJRZRBNAFWYLCO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229638;MM229638;C=CC(C)(C=C(C)F)CC;SIARMPDBFCRFDG-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229639;MM229639;CCC(C)(C#N)C=C(C)F;BDZKXLQWCFATQX-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229640;MM229640;C=CC(C)(C=C(C)F)CN;CYIAFKYGYWKZKD-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229641;MM229641;C=CC(C)(C=C(C)F)CO;YPYHRECYACYFKV-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229642;MM229642;CC(F)=CC(C)(C=O)CO;BEZSJMQIXPCGAP-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229643;MM229643;CC(F)=CC(C)(C#N)CO;XFYAAZDNMGKLEO-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229644;MM229644;C=CC(C)(C=C(C)F)CF;CEJOQULRWLBDHD-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229645;MM229645;C=CC(C)(C=C(F)F)CC;FGADZUZHBNXTLF-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229646;MM229646;CCC(C)(C=O)C=C(F)F;VOFPBOMSMDWCRN-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229647;MM229647;C=CC(C)(C=C(F)F)CN;CMGNAGNMQPOFSI-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229648;MM229648;CC(C=O)(C=C(F)F)CO;NYSYLCHLNDYYCS-UHFFFAOYSA-N;150.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229649;MM229649;CC(C#N)(C=C(F)F)CO;MIWHGNZHUVHXDL-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229650;MM229650;C=CC(C)(C=C(F)F)CF;WSOREVUFRBADGD-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229651;MM229651;C=CC(N)(C=C(C)C)CC;CFMGNJJPCVSBPH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229652;MM229652;C=CC(N)(C=C(C)C)CN;SMRFLGSZBZLRRF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229653;MM229653;C=CC(N)(C=C(C)C)CO;DPEZNSLSTAAEPF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229654;MM229654;C=CC(N)(C=C(C)F)CC;YSBJQKLDOAZMTQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229655;MM229655;C=CC(N)(C=C(F)F)CC;OOJYHXIKQVMBRD-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229656;MM229656;CCC1C=CC2(CO)CN12;CZSJAYUSMOHLBZ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229657;MM229657;CCC(O)(C=O)C=C(C)C;JWZRNSMHAZGBEX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229658;MM229658;CCC(O)(C#N)C=C(C)C;PXCZDWHBOBGNFR-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229659;MM229659;C=CC(O)(C=C(C)C)CN;XDDLISIBTPZRLB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229660;MM229660;CC(C)=CC(O)(C#N)CO;LDUGUTIFPUCWLT-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229661;MM229661;CCC(O)(C=O)C=C(C)F;VTCCOQOZQGATLI-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229662;MM229662;C=CC(O)(C=C(C)F)CO;LWUOSFYGHJTNGG-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229663;MM229663;CC(F)=CC(O)(C=O)CO;RTQAESYGIYRMES-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229664;MM229664;CC(F)=CC(O)(C#N)CF;APHUVORYHJGDDS-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229665;MM229665;C=CC(O)(C=C(F)F)CC;JFARWAIVTPYJNT-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229666;MM229666;C=CC(O)(C=C(F)F)CN;JCTYSYNWUKEXAC-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229667;MM229667;C=CC(F)(C=C(C)C)CN;HFDKTESVSBJVPG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229668;MM229668;CC(F)=CC(F)(C#N)CO;JDCBMYPLFNTMGX-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229669;MM229669;C=CC(F)(C=C(F)F)CC;FYCUIFVRENXRLX-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229670;MM229670;CCC(F)(C=O)C=C(F)F;CIIQIYZRKBXMHL-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229671;MM229671;O=CC(F)(C=C(F)F)CO;QYOMGKOBCPJUOO-UHFFFAOYSA-N;154.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229672;MM229672;C=CC(C)(C=C(C)C)NC;UFZMHDCAGNNBBQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229673;MM229673;CNC(C)(C#N)C=C(C)F;RPOFUPGZRHWDTJ-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229674;MM229674;C#CC(C)(C=C(C)C)CC;YUGZXQHBJNINAZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229675;MM229675;C#CC(C)(C=C(C)C)CN;KMZNATNDUPHRKR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229676;MM229676;C#CC(C)(C=C(C)C)CF;HOUGRPIFGXPZBE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229677;MM229677;C#CC(C)(C=C(C)F)CC;PJHXBPQWMWMDOZ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229678;MM229678;C#CC(C)(C=C(C)F)CF;KFOXMLQVGBSXIF-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229679;MM229679;C#CC(C)(C=C(F)F)CC;ULBJSDRNEKEICP-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229680;MM229680;C#CC(C)(C=C(F)F)CF;XTWDVFNNVDHAFO-UHFFFAOYSA-N;148.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229681;MM229681;C#CC(N)(C=C(C)C)CC;MTCDHWTUWBFDEH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229682;MM229682;C#CC(N)(C=C(C)F)CC;WZVIKEGIJBRYCJ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229683;MM229683;C#CC(N)(C=C(C)F)CN;SEWKDIRGTNVHRD-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229684;MM229684;C#CC(O)(C=C(C)C)CF;NBJWBJOQSGNWDV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229685;MM229685;C#CC(O)(C=C(F)F)CC;XMIXTWJMVNRRNV-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229686;MM229686;C#CC(F)(C=C(C)C)CC;UJOSHVACHQGRRF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229687;MM229687;C#CC(F)(C=C(C)F)CO;HAEIDAWCACZPGH-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229688;MM229688;C#CC(C)(C=C(C)C)NC;XOAIKVKLQDJOOE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229689;MM229689;C#CC(C)(C=C(C)C)OC;OLXISDUUHDLQMX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229690;MM229690;C#CC(C)(C=C(F)F)OC;LCNFXMIMZPWYFC-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229691;MM229691;C=CC(C)(C=C)C=C(C)C;ZESYIOYQZXCFKF-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229692;MM229692;C=CC(C)(C=O)C=C(C)C;QUKNPQSENLFYNV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229693;MM229693;C=CC(C)(C#N)C=C(C)C;CRYPEGSRYMGMOP-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229694;MM229694;CC(C)=CC(C)(C#N)C#N;SOQAISBBAFYHPK-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229695;MM229695;C=CC(C)(C=C)C=C(C)F;PIEWAYDZHVOGBP-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229696;MM229696;C=CC(C)(C#N)C=C(C)F;WGMOUXOFSZBFQI-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229697;MM229697;CC(F)=CC(C)(C#N)C#N;JKUMJOKOVYCUOW-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229698;MM229698;C=CC(C)(C=O)C=C(F)F;JMZRKMZGKMLPPY-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229699;MM229699;CC(C=O)(C=O)C=C(F)F;ATIBMNYXYNBKIE-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229700;MM229700;CC(C#N)(C#N)C=C(F)F;QRBHGDGOYKWDET-UHFFFAOYSA-N;142.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229701;MM229701;C=CC(N)(C=C)C=C(C)C;ZJHGTFPAGWJZRT-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229702;MM229702;C=CC(N)(C=C)C=C(C)F;HCDGMMZUDLFNCY-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229703;MM229703;OCC12C=CC(CF)N1C2;YGAOZEILJXSSRE-UHFFFAOYSA-N;143.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229704;MM229704;C=CC(O)(C#N)C=C(C)C;RXDFMVLFYNTOQH-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229705;MM229705;CC(F)=CC(O)(C#N)C#N;RHVYBFWJIUMMKI-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229706;MM229706;C=CC(O)(C=C)C=C(F)F;STCXIRCCHHOMGM-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229707;MM229707;O=CC(O)(C=O)C=C(F)F;KHVUJHOEOSTZSM-UHFFFAOYSA-N;150.08;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229708;MM229708;N#CC(O)(C#N)C=C(F)F;FZXFZDBBNWHWDK-UHFFFAOYSA-N;144.08;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229709;MM229709;C=CC(F)(C=C)C=C(C)C;WJTOJHWWWWVLSM-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229710;MM229710;C=CC(F)(C=O)C=C(C)C;PFUKBIQLGXRYMS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229711;MM229711;C=CC(F)(C#N)C=C(C)C;YLEFWAGYBVBCLA-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229712;MM229712;CC(F)=CC(F)(C#N)C#N;MVYOXQKECXBHML-UHFFFAOYSA-N;142.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229713;MM229713;C=CC(F)(C=C)C=C(F)F;MWMRLTJEILMTQC-UHFFFAOYSA-N;148.13;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229714;MM229714;C=CC(F)(C#N)C=C(F)F;CMGZVUDXYIOOGY-UHFFFAOYSA-N;147.1;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229715;MM229715;C#CC(C)(C=C)C=C(C)C;OMMDYPAZVCXRIT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229716;MM229716;C#CC(C)(C=O)C=C(C)C;UBJRUCJUFGEKDT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229717;MM229717;C#CC(C)(C#N)C=C(C)C;NETVTBIEZLDJMX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229718;MM229718;C#CC(C)(C=O)C=C(C)F;HPIZKGXLJNEPHB-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229719;MM229719;C#CC(C)(C#N)C=C(C)F;UJINZORHNIELOC-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229720;MM229720;C#CC(C)(C=C)C=C(F)F;DSEJXNMEABQOHT-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229721;MM229721;C#CC(C)(C#N)C=C(F)F;VJBPGUWTHNBIJU-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229722;MM229722;C#CC(O)(C=C)C=C(C)C;ZGGSXNJKTZROEB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229723;MM229723;C#CC(O)(C=O)C=C(C)F;MGPGFYIOASTXHP-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229724;MM229724;C#CC(O)(C#N)C=C(C)F;VDNORRXPEUUCFW-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229725;MM229725;C#CC(O)(C=C)C=C(F)F;DWNVMNQYTSRPST-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229726;MM229726;C#CC(F)(C=C)C=C(C)C;HYQCNBDPHFYOFE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229727;MM229727;C#CC(F)(C#N)C=C(C)C;KAOUKBBSORUFAU-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229728;MM229728;C#CC(C)(C#C)C=C(C)C;GSDHLAOLGUUSGF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229729;MM229729;C#CC(C)(C#C)C=C(C)F;WKRUGIANANACBM-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229730;MM229730;C#CC(C)(C#C)C=C(F)F;OIXFXLLYXQKVJT-UHFFFAOYSA-N;140.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229731;MM229731;C#CC(O)(C#C)C=C(C)F;OGHPMIFFKQKPGD-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229732;MM229732;C#CC(O)(C#C)C=C(F)F;SNEDGFJKIKXQHH-UHFFFAOYSA-N;142.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229733;MM229733;C#CC(F)(C#C)C=C(C)C;TZCVSUNZZCSINM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229734;MM229734;C#CC(F)(C#C)C=C(C)F;LKSZOVKGFMNQPP-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229735;MM229735;CC(C)(C)C(C)(CN)CF;IIUISNAMDWEAGP-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229736;MM229736;CCC(C)(CF)C(C)(C)N;XOLMLIDQLCKJIW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229737;MM229737;CC(C)(N)C(C)(CN)CN;IXNULDOCOVSVRD-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229738;MM229738;CC(C)(N)C(C)(CO)CO;IXNOAMZCPPVTLE-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229739;MM229739;CC(C)(N)C(C)(CF)CF;DURHVTJTKVGQLP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229740;MM229740;OCC1(CO)CC1N1CC1;JVFXSNNIRBTHMX-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229741;MM229741;CCC(C)(CN)C(C)(C)O;RPEVXNKFKJQNMY-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229742;MM229742;CC(C)(O)C(C)(CF)CF;CKCLGBMCQJLAHC-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229743;MM229743;CC(C)(F)C(C)(CN)CF;YHIRSQUSIINRGK-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229744;MM229744;CC(C)(F)C(C)(CF)CF;BJTICFZNPFFVKX-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229745;MM229745;CCC(C)(CN)C(C)(F)F;GIKQPYAHKMUEFU-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229746;MM229746;CC(F)(F)C(C)(CF)CF;MDRQZSBXABYYTR-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229747;MM229747;CCC(C)(CN)C(F)(F)F;MLPBNHWDNKQYFR-UHFFFAOYSA-N;155.16;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229748;MM229748;CC(CN)(CF)C(F)(F)F;GPEIBCLLZBDQFK-UHFFFAOYSA-N;159.13;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229749;MM229749;CC(CF)(CF)C(F)(F)F;RSCFEUSRRNOXIY-UHFFFAOYSA-N;162.1;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229750;MM229750;CC(C)(C)C(N)(CN)CN;NKQRSWBGCUVCBZ-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229751;MM229751;CC(C)(C)C(N)(CN)CF;AYJUSNIAMGVDHJ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229752;MM229752;CCC(N)(CC)C(C)(C)N;HGVASVWEGPRNSH-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229753;MM229753;CCC(N)(CN)C(C)(C)N;ZCBSGBALHMCAHU-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229754;MM229754;CC(C)(N)C(N)(CO)CO;LCAVCMUWVNQPGQ-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229755;MM229755;CC(C)(N)C(N)(CF)CF;XMEJBHYHPBUQBZ-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229756;MM229756;CCC(N)(CC)C(C)(C)O;JNMJVNDNGMHZSP-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229757;MM229757;CC(C)(O)C(N)(CO)CO;UJKNJLOOGTYOMW-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229758;MM229758;CCC(N)(CN)C(C)(C)F;UCBCQCVPMIGDDR-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229759;MM229759;NCC(N)(CO)C(F)(F)F;YOHJDPGWPFBYLE-UHFFFAOYSA-N;158.12;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229760;MM229760;C=CC1(CO)CN1C1CC1;HMMBWFDAVNESGV-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229761;MM229761;CC(C)(C)C(O)(CO)CF;QMMLLYPJHVTVKJ-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229762;MM229762;CC(C)(N)C(O)(CO)CO;VPMBNJGYFJUVSQ-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229763;MM229763;CCC(O)(CO)C(C)(C)O;SAZOTZXNLUSMGO-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229764;MM229764;CC(C)(O)C(O)(CO)CO;FMMKGTOCAOZREK-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229765;MM229765;CC(C)(F)C(O)(CO)CO;QQQQUQWJMITAOE-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229766;MM229766;CC(C)(F)C(O)(CO)CF;SRDGSLHKKOKECS-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229767;MM229767;CCC(O)(CN)C(C)(F)F;MENTWWLYLSJLBP-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229768;MM229768;CC(F)(F)C(O)(CO)CO;UWKZAIMFFQCTOO-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229769;MM229769;NCC(O)(CO)C(F)(F)F;VDNXUNJAKWADMR-UHFFFAOYSA-N;159.11;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229770;MM229770;CC(C)(C)C(F)(CN)CN;ZYHPJJUTKNXBLE-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229771;MM229771;CC(C)(C)C(F)(CO)CO;UNYKSBHPTPNRAS-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229772;MM229772;CCC(F)(CC)C(C)(C)N;WXZUGVYRTKGARU-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229773;MM229773;CCC(F)(CN)C(C)(C)N;PVUSNUWOABOKLL-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229774;MM229774;CC(C)(N)C(F)(CN)CF;QXHAYAFRVMGXBY-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229775;MM229775;CC(C)(N)C(F)(CO)CO;BCUHNOOMUACVPA-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229776;MM229776;CC(C)(N)C(F)(CF)CF;SCMADTYXYKWTTC-UHFFFAOYSA-N;155.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229777;MM229777;CNC(C)(CN)C(C)(C)C;HKMMSBQLPUUFPB-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229778;MM229778;CCC(C)(NC)C(C)(C)N;VQLYEDZVVGWCRD-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229779;MM229779;CNC(C)(CN)C(C)(C)N;HJUNOELLDZUWBC-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229780;MM229780;CCC(C)(NC)C(C)(C)O;NBDUGAWLVGOMTG-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229781;MM229781;CNC(C)(CN)C(C)(C)O;JVFGAPXZXRUKDA-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229782;MM229782;CNC(C)(CO)C(C)(C)O;RVQLXDGNWOTGTJ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229783;MM229783;CNC(C)(CF)C(C)(C)O;OYIVQXZYZTUAFR-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229784;MM229784;CNC(C)(CF)C(C)(F)F;SBYQVUBVFKQGCU-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229785;MM229785;COC(C)(CN)C(C)(C)N;JSLCXGRKNFUHAQ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229786;MM229786;COC(C)(CN)C(C)(C)O;YBQOUVDNCRVYRX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229788;MM229788;COC(C)(CO)C(C)(C)F;FSASBYNQXGHYBF-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229790;MM229790;COC(C)(CO)C(C)(F)F;CQTMJVZEKURDQM-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229791;MM229791;COC(C)(OC)C(C)(C)O;FQMWOMHIVVKBLI-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229792;MM229792;COC(C)(OC)C(C)(C)F;DLDLJGZWHBTZRK-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229794;MM229794;COC(C)(OC)C(C)(F)F;BQVDVGCYRPUMQZ-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229796;MM229796;COC(C)(OC)C(F)(F)F;QVUMNDQLRQNLAW-UHFFFAOYSA-N;158.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229797;MM229797;C=CC(C)(CN)C(C)(C)N;UNAGYDBDTICZCV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229799;MM229799;C=CC(C)(CF)C(C)(C)N;PPGWUNCQVYULPK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229800;MM229800;CCC(C)(C=O)C(C)(C)O;QMWYNYMJPPXMPI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229802;MM229802;C=CC(C)(CN)C(C)(C)O;GTWSMQBOBBBBCH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229804;MM229804;C=CC(C)(CF)C(C)(C)O;GPZUMCBZVHEPBY-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229805;MM229805;CC(C)(F)C(C)(C=O)CO;OAZMRJSUZPFEOO-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229806;MM229806;CC(C)(F)C(C)(C#N)CO;SEJXLOYDLSIJTH-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229807;MM229807;CC(C)(F)C(C)(C=O)CF;PYJXYDSONLHPSI-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229809;MM229809;C=CC(C)(CN)C(C)(F)F;XSARPNAGKSZHQP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229810;MM229810;C=CC(C)(CN)C(F)(F)F;UQSILBHJVNSIAU-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229811;MM229811;C=CC(N)(CC)C(C)(C)O;YRNUJTUDFBWEDM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229812;MM229812;CC(C)(O)C(O)(C=O)CO;DHVKNWJVPLYXGU-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229813;MM229813;CC(C)(O)C(O)(C#N)CO;ZTBDNCJDKUVLTC-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229814;MM229814;CC(C)(O)C(O)(C=O)CF;ICOBKADMRSDHLE-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229815;MM229815;CC(C)(O)C(O)(C#N)CF;DZDRKFYHLVKYQI-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229816;MM229816;CC(C)(F)C(O)(C=O)CO;QZZOAXASZMBMDH-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229817;MM229817;CC(C)(F)C(O)(C#N)CO;DKPHIEYIZYRXTG-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229818;MM229818;CC(C)(F)C(O)(C=O)CF;INULSDOCPIZELX-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229819;MM229819;CC(C)(F)C(O)(C#N)CF;SEOYLTQUBLSVMI-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229820;MM229820;C=CC(F)(CN)C(C)(C)N;DYRFSCDYZPUQOK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229821;MM229821;CC(C)(O)C(F)(C#N)CO;VFINHXKLHSRXPM-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229822;MM229822;CC(C)(F)C(F)(C=O)CO;ZCNOJCHAXKSNIF-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229823;MM229823;CC(C)(F)C(F)(C#N)CO;TZWIWFPITFBOHX-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229824;MM229824;C=CC(C)(NC)C(C)(C)C;AFDDWIKACVQTGH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229825;MM229825;C=CC(C)(NC)C(C)(C)N;VSVMCJZJOMDTDX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229826;MM229826;C=CC(C)(NC)C(C)(C)O;YWAZJGSRCDZOFB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229827;MM229827;COC(C)(C#N)C(C)(C)O;NPZFHZKGELFVEY-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229828;MM229828;COC(C)(C#N)C(C)(F)F;ZCDAWDDTIHVXEJ-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229829;MM229829;COC(C)(C=O)C(F)(F)F;BNUANIPJOVGCFJ-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229830;MM229830;COC(C)(C#N)C(F)(F)F;SQZIIKXTBVMZIP-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229831;MM229831;C#CC(C)(CF)C(C)(C)O;UUKHIHNJPLARNZ-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229832;MM229832;C#CC(C)(CO)C(C)(F)F;PUOQLHXZWWTUBZ-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229833;MM229833;C#CC(C)(CO)C(F)(F)F;JDJKHTPQJYFPNH-UHFFFAOYSA-N;152.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229834;MM229834;C#CC(N)(CN)C(C)(F)F;YIIAOMMJHDOPQH-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229835;MM229835;C#CC(F)(CO)C(C)(C)F;ZSIHTDBFBAGHRY-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229836;MM229836;C#CC(C)(NC)C(C)(C)N;CYXHVWDVUDWRCS-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229837;MM229837;C#CC(C)(OC)C(C)(C)C;QNNHKLBWTDUWRT-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229838;MM229838;C#CC(C)(OC)C(C)(F)F;SBOWCYYBWOOVON-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229839;MM229839;C#CC(C)(OC)C(F)(F)F;LLOKSXISUBKMGY-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229840;MM229840;C=CC(C)(C=C)C(C)(C)C;PEPIQLJVSSVPBV-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229841;MM229841;CC(C)(C)C(C)(C#N)C#N;OLMJWLPJFZXEDN-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229842;MM229842;CC(F)(F)C(C)(C#N)C=O;SPEHQWFGIPYGIA-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229843;MM229843;CC(C#N)(C=O)C(F)(F)F;KQFQXJGTOOUXGO-UHFFFAOYSA-N;151.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229844;MM229844;CC(C)(O)C(O)(C=O)C=O;IKVSTIKAFOTEOW-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229845;MM229845;CC(C)(O)C(O)(C#N)C=O;MYHGAEXLNSUCAR-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229846;MM229846;CC(C)(O)C(O)(C#N)C#N;PTZMCZTWIOEXPL-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229847;MM229847;C=CC(O)(C=O)C(C)(C)F;GBDGVHBSWPMTCB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229848;MM229848;CC(C)(F)C(O)(C#N)C=O;HIJQYFSLTXEORY-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229849;MM229849;CC(F)(F)C(F)(C=O)C=O;UZUCZNSEHWUTQQ-UHFFFAOYSA-N;154.09;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229850;MM229850;CC(F)(F)C(F)(C#N)C=O;NLLUGKNRHFHFGK-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229851;MM229851;CC(F)(F)C(F)(C#N)C#N;FVNNVXSCNWDYQU-UHFFFAOYSA-N;148.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229852;MM229852;O=CC(F)(C=O)C(F)(F)F;LYGKHKRJAHDWDO-UHFFFAOYSA-N;158.05;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229853;MM229853;N#CC(F)(C=O)C(F)(F)F;WPAAUEPUZKTVEZ-UHFFFAOYSA-N;155.05;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229854;MM229854;N#CC(F)(C#N)C(F)(F)F;WIEFAJVAACMGRV-UHFFFAOYSA-N;152.05;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229855;MM229855;C#CC(C)(C#N)C(C)(F)F;PFDYQHSKLMSRGD-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229856;MM229856;C#CC(C)(C#N)C(F)(F)F;KBLLQOBUWQJYNA-UHFFFAOYSA-N;147.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229857;MM229857;C#CC(O)(C=C)C(C)(C)O;IYBPHELABGLIND-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229858;MM229858;C#CC(O)(C=O)C(C)(C)F;NTKPFBUIMCZSAM-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229859;MM229859;C#CC(O)(C#N)C(C)(C)F;VFKYUOCJWARHJN-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229860;MM229860;C#CC(F)(C=O)C(C)(F)F;JYDBPNXBEKEJCE-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229861;MM229861;C#CC(F)(C#N)C(C)(F)F;AUZLOOUOLRQYQC-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229862;MM229862;C#CC(F)(C=O)C(F)(F)F;WHKPEWUVBMGQPJ-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229863;MM229863;C#CC(F)(C#N)C(F)(F)F;FWAHYDKSVBQTKP-UHFFFAOYSA-N;151.06;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229864;MM229864;C#CC(C)(C#C)C(C)(C)C;QWMIQNGTNSITGT-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229865;MM229865;O=CN1CC1C1(CO)CN1;MOSPWGQLJGQHRO-UHFFFAOYSA-N;142.16;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229866;MM229866;C#CC(C)(C#C)C(F)(F)F;IJLLGIVAUQSUEH-UHFFFAOYSA-N;146.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229867;MM229867;C#CC(N)(C#C)C(F)(F)F;DATRDRXXRKAAIX-UHFFFAOYSA-N;147.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229868;MM229868;C#CC(O)(C#C)C(C)(C)F;MRIWTGHYLNQBHP-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229869;MM229869;C#CC(O)(C#C)C(C)(F)F;OPJQNTSGBMAQID-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229870;MM229870;C#CC(F)(C#C)C(C)(C)N;GVVKRXSGHMMTMY-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229871;MM229871;C#CC(F)(C#C)C(C)(C)O;GJFBMEJRSIBSJB-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229872;MM229872;C#CC(F)(C#C)C(C)(F)F;DLUFROQMZDMXGP-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229873;MM229873;C#CC(F)(C#C)C(F)(F)F;TWCJCNSIORCRDH-UHFFFAOYSA-N;150.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229874;MM229874;CC1C(C)(C)C(C)C1(C)C;FHUDXHQBIPQQSP-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229875;MM229875;CCC(C)(C)C1CC1(C)C;YRHZVIJAKVGETR-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229876;MM229876;CC(C)(CN)C1CC1(C)C;PHKPXCIQMDPJAV-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229877;MM229877;NN=C1CNC=N1;LIOFEFSCLNIYBT-UHFFFAOYSA-N;98.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229878;MM229878;CC(C)(CF)C1CC1(C)C;FUUVIPCOKPKGES-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229879;MM229879;CCC(C)(N)C1CC1(C)C;AFJDDKWQOPTGBE-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229880;MM229880;CC1(C)CC1C(C)(N)CN;MGMRYGZMHVNPDP-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229881;MM229881;CC1(C)CC1C(C)(N)CO;QFARBVSLNCGQIG-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229882;MM229882;CC1(C)CC1C(C)(N)CF;GNGPMAYSGXCRLN-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229883;MM229883;CC1(CO)NC1C#N;ZRQOEORFLRKJJP-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229884;MM229884;CC1(C)CC1C(C)(O)CN;DQCNFOSHXIEPEQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229885;MM229885;CC1(C)CC1C(C)(O)CO;UQNLHYZJABJVSR-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229886;MM229886;CC1(C)CC1C(C)(O)CF;HZLXBUQVGMJBIP-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229887;MM229887;CCC(C)(F)C1CC1(C)C;LTNULLCFESOWQE-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229888;MM229888;CC1(C)CC1C(C)(F)CN;ISUCCLAZCCVABR-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229889;MM229889;CC1(C)CC1C(C)(F)CO;CTQPMDOCUAODIO-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229890;MM229890;CCC(F)(F)C1CC1(C)C;NRICPIUCRFRFHR-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229891;MM229891;CCC(C)(C)C1CC1(C)N;YWPJDLYJXCVZLP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229892;MM229892;CC(C)(CN)C1CC1(C)N;WZBOFDXYPPBDGB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229893;MM229893;CC(C)(CF)C1CC1(C)N;PYVUVQLVHNNQAI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229894;MM229894;CCC(C)(N)C1CC1(C)N;UHPICXMYVSWNQZ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229895;MM229895;CC(N)(CN)C1CC1(C)N;XPWZCHFSLSWVHL-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229896;MM229896;CCC(C)(O)C1CC1(C)N;JRFBUQDTZHFDAX-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229897;MM229897;CC1(N)CC1C(C)(O)CN;MBYQLZOTWTZKPB-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229898;MM229898;CCC(C)(F)C1CC1(C)N;DBMCYCNCFGNWMI-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229899;MM229899;CC1(N)CC1C(C)(F)CN;QUUUCETWWWWSMN-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229900;MM229900;CC1(N)CC1C(C)(F)CO;KQXWVLKRCRAOJE-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229901;MM229901;CCC(F)(F)C1CC1(C)N;PDFPRYLNSQQIHE-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229902;MM229902;C#CC1NC1(C)CO;CRNVMKGGNKDNKS-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229903;MM229903;CC(C)(CN)C1CC1(C)O;HSCATFJCZNFWAH-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229904;MM229904;CCC(C)(N)C1CC1(C)O;QZTXUXOARIRECQ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229905;MM229905;CC(N)(CN)C1CC1(C)O;BEFNAKWXYYHOMO-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229906;MM229906;CC(N)(CF)C1CC1(C)O;IQTATMFWSIHNNQ-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229907;MM229907;CCC(C)(O)C1CC1(C)O;XYFLRACKNVUZRZ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229908;MM229908;CC(O)(CN)C1CC1(C)O;HTKVPZANBBRPRO-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229909;MM229909;CC(O)(CO)C1CC1(C)O;GOZDUKQIWXMAGG-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229910;MM229910;CCC(C)(F)C1CC1(C)O;TXTOPLYJWDGAEA-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229911;MM229911;CCC(F)(F)C1CC1(C)O;RAOHUQYFANQUOW-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229912;MM229912;CCC(C)(C)C1CC1(C)F;MROHGPAQWKRCFO-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229913;MM229913;CC(C)(CN)C1CC1(C)F;MXFVGRHAIBAAKN-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229914;MM229914;CC(C)(CO)C1CC1(C)F;DQLUERQJAHIVMH-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229915;MM229915;CCC(C)(N)C1CC1(C)F;YZXQAJQUNSQOIC-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229916;MM229916;CC(N)(CN)C1CC1(C)F;JVZMWYMDDSCEPH-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229917;MM229917;CCC(C)(O)C1CC1(C)F;FQKIJKKMQRJFDG-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229918;MM229918;CC(O)(CO)C1CC1(C)F;CCBOHYIWUSJWBF-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229919;MM229919;CCC(C)(F)C1CC1(C)F;PZMDLTNRROFVOF-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229920;MM229920;CCC(F)(F)C1CC1(C)F;PHAHWMUHCPFQTF-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229921;MM229921;CCC(C)(C)C1CC1(F)F;PQLJGDZQWQEWLD-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229922;MM229922;CC(C)(CN)C1CC1(F)F;MIZABHAXYUHEHP-UHFFFAOYSA-N;149.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229923;MM229923;CC(C)(CO)C1CC1(F)F;JIJLOCVRJPOFGU-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229924;MM229924;CCC(C)(N)C1CC1(F)F;PFXAXLZIZVLDQT-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229925;MM229925;CC(N)(CN)C1CC1(F)F;VQCITODNMXYNTA-UHFFFAOYSA-N;150.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229926;MM229926;CCC(C)(O)C1CC1(F)F;PBYLJKZLSLNTGZ-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229927;MM229927;CCC(C)(F)C1CC1(F)F;JQNGDBKQCHLUHR-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229928;MM229928;CNC(C)(C)C1CC1(C)C;HFSKUIORGDHNJD-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229929;MM229929;CNC(C)(C)C1CC1(C)N;KLKZVSCVBHTDJN-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229930;MM229930;CNC(C)(C)C1CC1(C)O;OKSKRZGIAOPKRD-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229931;MM229931;CNC(C)(C)C1CC1(C)F;CLIZLTBBPWCLCL-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229932;MM229932;CNC(C)(C)C1CC1(F)F;IDNKOCRCLYVAQU-UHFFFAOYSA-N;149.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229933;MM229933;COC(C)(C)C1CC1(C)C;SZFFCRCLKFPWEW-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229934;MM229934;COC(C)(C)C1CC1(C)N;PVTLLYJWDMGPBN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229935;MM229935;COC(C)(C)C1CC1(C)O;STHTZKKDFXVXMG-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229936;MM229936;COC(C)(C)C1CC1(C)F;PPMPWXQMFYTVAP-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229937;MM229937;COC(C)(C)C1CC1(F)F;HHNAJOBJYGVPMC-UHFFFAOYSA-N;150.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229938;MM229938;CC(C)(CN)C1NC1(C)C;MNWFFYJDUWWHPR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229939;MM229939;CCC(C)(N)C1NC1(C)C;KQGWVHPMRSLNML-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229940;MM229940;CC(N)(CN)C1NC1(C)C;CRRGQGVMWAMJJH-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229941;MM229941;CC(O)(CN)C1NC1(C)C;KZRLROVYDTUFHE-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229942;MM229942;CCC(C)(F)C1NC1(C)C;PNYPBMGHZOYTTA-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229943;MM229943;CC(F)(CN)C1NC1(C)C;XOFGAEVSEWCSIO-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229944;MM229944;CCC(F)(F)C1NC1(C)C;PQBOCTWPPKMETP-UHFFFAOYSA-N;149.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229945;MM229945;CNC(C)(C)C1NC1(C)C;CUNCIJNXCWIFOL-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229946;MM229946;CCC(C)(C)C1OC1(C)C;OECNQOUDWKHRBI-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229947;MM229947;CC(C)(CN)C1OC1(C)C;HOTWKOBCMXBWFT-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229948;MM229948;CC(C)(CO)C1OC1(C)C;KRLOTOBDBGUZSG-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229949;MM229949;CCC(C)(N)C1OC1(C)C;MDLZYMFGLKOEOT-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229950;MM229950;CCC(C)(O)C1OC1(C)C;GHIAVXTZHBLTBS-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229951;MM229951;CC(O)(CN)C1OC1(C)C;GAWSSWKTQSUOPO-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229952;MM229952;CC(O)(CO)C1OC1(C)C;NJHRZUWVCRADGX-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229953;MM229953;CCC(C)(F)C1OC1(C)C;MUDWQVFJJZGLGA-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229954;MM229954;CNC(C)(C)C1OC1(C)C;ZRWREWQLHCKMFF-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229955;MM229955;COC(C)(C)C1OC1(C)C;AVRLUGDVDRCILF-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229956;MM229956;CC(C)(CN)N1CC1(C)C;GFDAEMXFLFNTFA-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229957;MM229957;CC1(C)CCC(C)(C)CC1;DNAQTTMNXQBWIL-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229958;MM229958;CC1(C)CCC(C)(N)CC1;UVTVALOOKLRSOA-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229959;MM229959;CC1(O)CCC(F)(F)CC1;WDCKELGNLDSSOI-UHFFFAOYSA-N;150.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229960;MM229960;CC1(F)CCC(C)(F)CC1;ZSNDCDJZPGXMKO-UHFFFAOYSA-N;148.2;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229961;MM229961;FC1(F)CCC(F)(F)CC1;AATGIPNQTISYGA-UHFFFAOYSA-N;156.12;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229962;MM229962;CC1(C)COC(C)(C)OC1;YIBHANDRZWPYTI-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229963;MM229963;CC1(F)COC(C)(C)OC1;KQJRSUPSCCEKMH-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229964;MM229964;CC1(C)OCC(F)(F)CO1;FJRVRXSCDVCSBK-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229965;MM229965;CC1(C)C=CC(C)(C)C=C1;IDFBAZYYEXBGJO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229966;MM229966;CC1(C)C=CC(C)(N)C=C1;PAXUWGSFCZRZFP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229967;MM229967;CC1(C)C=CC(F)(F)C=C1;FQMQSBYXZAOEKC-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229968;MM229968;FC1(F)C=CC(F)(F)C=C1;BSOGQZFFBVWVED-UHFFFAOYSA-N;152.09;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229969;MM229969;CC1C(C)(C)CC1(C)CN;LCKKMXMWGQMOTP-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229970;MM229970;CC1C(C)(N)CC1(C)CO;HSFGLGRIRGWKHQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229971;MM229971;C=CC1(C)CC(C)(C)C1C;MPHYZLCEIUBMRX-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229972;MM229972;C=CC1(C)CC(C)(N)C1C;DJXQPMDIPBIGNM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229973;MM229973;CC1C(C)(O)CC1(C)C#N;KSYGPIJTNCJKPE-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229974;MM229974;CC1C(C)(C)OC1(C)C#N;GYFARKPPTUNZCS-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229975;MM229975;C#CC1(C)CC(C)(N)C1C;GQKYRGAZTRNVRX-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229976;MM229976;N#CCC1(CO)CN1;BQOMMGHDJXVEGC-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229977;MM229977;C#CC1(N)CC(C)(C)C1C;VICHZLNIQKJPFE-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229978;MM229978;CCC1(C)CC(C)(CC)C1;OHDDOHNVCRHEQP-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229979;MM229979;CCC1(C)CC(C)(CN)C1;LRNPJZBQRFKOIC-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229980;MM229980;Nc1c[nH]c(CO)c1;NZCGVCYXABWLAA-UHFFFAOYSA-N;112.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229981;MM229981;CCC1(C)CC(C)(CF)C1;GZMWUCOLGJIMQX-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229982;MM229982;CC1(CN)CC(C)(CN)C1;ZNZQQVXHEZUNMH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229983;MM229983;CC1(CN)CC(C)(CO)C1;TUBUGSBLBFTAGS-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229984;MM229984;CC1(CN)CC(C)(CF)C1;DXRHSBDQOYJJNS-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229985;MM229985;CC1(CF)CC(C)(CF)C1;RKMJAEUVIDCKBK-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229986;MM229986;CCC1(C)CC(N)(CC)C1;WACZVJHVVDAUCE-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229987;MM229987;CCC1(C)CC(N)(CN)C1;WASCCAMICGUOKP-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229988;MM229988;CCC1(C)CC(N)(CO)C1;WHVRKXFDAXRKTN-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229989;MM229989;CCC1(C)CC(N)(CF)C1;FMXIJGNFQJHHBD-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229990;MM229990;CCC1(N)CC(C)(CN)C1;ASRZSTVYBHXEKY-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229991;MM229991;CC1(CN)CC(N)(CN)C1;UQFLXHWHIDVMRB-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229992;MM229992;CC1(CN)CC(N)(CO)C1;NRNALWVWYUQWBF-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229993;MM229993;CCC1(N)CC(C)(CO)C1;YOPOPRRAJCXTKC-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229994;MM229994;CCC1(N)CC(C)(CF)C1;GQJDSGNBPUPEEA-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229995;MM229995;CC1(CF)CC(N)(CF)C1;OTLBTQJRPCZBTA-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229996;MM229996;CC1(O)CC1N(N)C=O;NAYMKVOCWMPKIM-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229997;MM229997;CCC1(C)CC(O)(CN)C1;RRQYIQQGVNRSJE-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229998;MM229998;CCC1(C)CC(O)(CO)C1;AGCXOVNGZJBVJJ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM229999;MM229999;CCC1(C)CC(O)(CF)C1;JUYJSWCUSFDPHH-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230000;MM230000;CCC1(O)CC(C)(CN)C1;PUTQGRBXLYLBGI-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230001;MM230001;CC1(CN)CC(O)(CN)C1;BIWXKKVKTPGLDO-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230002;MM230002;CC1(CN)CC(O)(CO)C1;KZVLMUKLSVFWDC-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230003;MM230003;CCC1(O)CC(C)(CO)C1;ZLIGNWCLOGSXED-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230004;MM230004;CC1(CO)CC(O)(CO)C1;OWMWLEDHLFAOLH-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230005;MM230005;CCC1(O)CC(C)(CF)C1;NYRJFTMMWGXZAZ-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230006;MM230006;CC1(CF)CC(O)(CN)C1;CTBWRUMHAVBPKT-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230007;MM230007;CC1(CF)CC(O)(CO)C1;JPWNYJIAOGLOPB-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230008;MM230008;CC1(CF)CC(O)(CF)C1;RIFZERMAYTWQGG-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230009;MM230009;CCC1(C)CC(F)(CC)C1;GSOMWKAHWVAKLG-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230010;MM230010;CCC1(C)CC(F)(CN)C1;XJEWNSSHYXZVIY-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230011;MM230011;CCC1(C)CC(F)(CF)C1;SSGVLOPTFMAGMY-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230012;MM230012;CCC1(F)CC(C)(CN)C1;YIELOGJAWRUXGA-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230013;MM230013;CC1(CN)CC(F)(CN)C1;IQXKXDQCLUXERF-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230014;MM230014;CC1(CN)CC(F)(CO)C1;CDQXRMKEHVXHSR-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230015;MM230015;CCC1(F)CC(C)(CF)C1;ZRIDQSTTZOWHIB-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230016;MM230016;CC1(CF)CC(F)(CN)C1;YDBNEVDZNJZVIB-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230017;MM230017;CC1(CF)CC(F)(CO)C1;YCLBKWZSFAZXGF-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230018;MM230018;CCC1(N)CC(N)(CC)C1;KXFLMDVBAQQIFT-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230019;MM230019;CCC1(N)CC(N)(CN)C1;LUKCWNIOCYAKPP-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230020;MM230020;CCC1(N)CC(N)(CO)C1;HCBTUMRBFGXTQN-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230021;MM230021;CCC1(N)CC(N)(CF)C1;XUMZMBJLXJNARR-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230022;MM230022;NCC1(N)CC(N)(CN)C1;ZVUMGOFLWDQCHZ-UHFFFAOYSA-N;144.22;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230023;MM230023;NCC1(N)CC(N)(CO)C1;ZNFYMSNOEOUNJW-UHFFFAOYSA-N;145.21;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230024;MM230024;NCC1(N)CC(N)(CF)C1;UPPBIHYZWNOWGA-UHFFFAOYSA-N;147.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230025;MM230025;NC1(CO)CC(N)(CO)C1;SKBAQVOADFLSAO-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230026;MM230026;NC1(CO)CC(N)(CF)C1;XEUDEWMNYMBHCX-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230027;MM230027;NC1(CF)CC(N)(CF)C1;JLWRZYXNKMELCY-UHFFFAOYSA-N;150.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230028;MM230028;CCC1(N)CC(O)(CC)C1;GQNBNMDYWIHWKK-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230029;MM230029;CCC1(N)CC(O)(CN)C1;UAPVRAPUXOBTPN-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230030;MM230030;CCC1(N)CC(O)(CF)C1;PRGJFFASABODIP-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230031;MM230031;CCC1(O)CC(N)(CN)C1;NBAFLFFEQYCGSV-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230032;MM230032;NCC1(N)CC(O)(CN)C1;KYMPQPFWGSFUAA-UHFFFAOYSA-N;145.21;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230033;MM230033;NCC1(N)CC(O)(CO)C1;ILQFTGROJBSSLN-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230034;MM230034;NCC1(N)CC(O)(CF)C1;BQRUCIPCYLXBKB-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230035;MM230035;CCC1(O)CC(N)(CO)C1;NEAJWAFTRGDKPX-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230036;MM230036;NCC1(O)CC(N)(CO)C1;IUHQYFUQRADIQF-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230037;MM230037;NC1(CO)CC(O)(CO)C1;PMMQXDLNBQSPRV-UHFFFAOYSA-N;147.17;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230038;MM230038;NC1(CO)CC(O)(CF)C1;ASYBKRNTSCLYFV-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230039;MM230039;NCC1(O)CC(N)(CF)C1;XLEKHFABHURVDU-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230040;MM230040;CCC1(N)CC(F)(CC)C1;SQLPECMOLNRDAN-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230041;MM230041;CCC1(N)CC(F)(CN)C1;WSHABNWDFBYKOB-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230042;MM230042;CCC1(N)CC(F)(CO)C1;PVNXFMOCYINQOX-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230043;MM230043;CCC1(F)CC(N)(CN)C1;DFUYFDHPLBGPHL-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230044;MM230044;NCC1(N)CC(F)(CN)C1;RDWVZRJVMLPOFL-UHFFFAOYSA-N;147.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230045;MM230045;NCC1(N)CC(F)(CO)C1;LRWDYVKIDKXZOJ-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230046;MM230046;NCC1(N)CC(F)(CF)C1;HDBABIWTOQHMCE-UHFFFAOYSA-N;150.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230047;MM230047;NCC1(F)CC(N)(CO)C1;JZRFOBZMOXGZIV-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230048;MM230048;NCC1(F)CC(N)(CF)C1;RHPKDPPZUODETF-UHFFFAOYSA-N;150.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230049;MM230049;CCC1(O)CC(O)(CC)C1;XNOFYUJMRLBUHZ-UHFFFAOYSA-N;144.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230050;MM230050;CCC1(O)CC(O)(CN)C1;NFKGAESPYLTAPK-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230051;MM230051;CCC1(O)CC(O)(CF)C1;DPYJNWUVFLNBOS-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230052;MM230052;NCC1(O)CC(O)(CN)C1;IMZCKALWSVBZFI-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230053;MM230053;OCC1(O)CC(O)(CO)C1;BBCQEPVPBIPHBO-UHFFFAOYSA-N;148.16;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230054;MM230054;CCC1(O)CC(F)(CC)C1;OBCKXSVGLKWBRJ-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230055;MM230055;CCC1(O)CC(F)(CN)C1;JGPNFBFSTCTPPH-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230056;MM230056;CCC1(O)CC(F)(CO)C1;PTJOGNIMTPRVKI-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230057;MM230057;CCC1(O)CC(F)(CF)C1;HPMWKJJPDGRWFT-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230058;MM230058;CCC1(F)CC(O)(CN)C1;ZNDMPJATAZQBBD-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230059;MM230059;NCC1(O)CC(F)(CN)C1;GBBSRNJGLNZHRU-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230060;MM230060;NCC1(O)CC(F)(CO)C1;CZVGXBOWMIUZCE-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230061;MM230061;NCC1(O)CC(F)(CF)C1;LTJGXCDQADIBPT-UHFFFAOYSA-N;151.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230062;MM230062;NCC1(F)CC(O)(CO)C1;SFOOWBPUYVPRRK-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230063;MM230063;OCC1(O)CC(F)(CF)C1;YQDGLAQQIXVTNZ-UHFFFAOYSA-N;152.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230064;MM230064;NCC1(F)CC(O)(CF)C1;FJIVBJGMEVAHTC-UHFFFAOYSA-N;151.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230065;MM230065;OCC1(F)CC(O)(CF)C1;CFUGHDAMCQUWMH-UHFFFAOYSA-N;152.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230066;MM230066;CCC1(F)CC(F)(CC)C1;ADGSGJWCAGJDSU-UHFFFAOYSA-N;148.2;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230067;MM230067;CCC1(F)CC(F)(CN)C1;RWOGXBVOAMNACU-UHFFFAOYSA-N;149.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230068;MM230068;CCC1(F)CC(F)(CO)C1;IXQSNHSKBLPXTM-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230069;MM230069;OCC1(F)CC(F)(CO)C1;NHWWMCBGWSFXKJ-UHFFFAOYSA-N;152.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230070;MM230070;CCC1(C)CC(C)(NC)C1;UFDYSQJIMIWUJO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230071;MM230071;CNC1(C)CC(C)(CN)C1;PUURZYPCULQQSG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230072;MM230072;CNC1(C)CC(C)(CO)C1;LYLZXGBSJXREGA-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230073;MM230073;CCC1(N)CC(C)(NC)C1;RASGBOQNFFMGNO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230074;MM230074;CNC1(C)CC(N)(CN)C1;HSXPQPPZMKUECX-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230075;MM230075;CNC1(C)CC(N)(CO)C1;SSPXRTHHTFSFGW-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230076;MM230076;CNC1(C)CC(N)(CF)C1;NPNGIUQSPDIJLN-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230077;MM230077;CCC1(O)CC(C)(NC)C1;OYHVQAUPKMSOTG-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230078;MM230078;CNC1(C)CC(O)(CN)C1;GQNGIPSKAYQECI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230079;MM230079;CNC1(C)CC(O)(CO)C1;JFLMWXZDBKGSOO-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230080;MM230080;CNC1(C)CC(O)(CF)C1;BVTFSXXWYNFCLR-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230081;MM230081;CCC1(F)CC(C)(NC)C1;PFQWRRIYDKPPRN-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230082;MM230082;CNC1(C)CC(F)(CN)C1;VZLAZXWHFCECKQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230083;MM230083;CNC1(C)CC(F)(CO)C1;CIPJSRUMAYZIBG-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230084;MM230084;CCC1(C)CC(C)(OC)C1;FZKGSFYYLPCPEM-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230085;MM230085;COC1(C)CC(C)(CN)C1;VWLJCDMCLLKKAT-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230086;MM230086;COC1(C)CC(C)(CO)C1;WBCMLEFHQGOCEC-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230087;MM230087;COC1(C)CC(C)(CF)C1;MEAYNTKWULTILU-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230088;MM230088;CCC1(N)CC(C)(OC)C1;ICGYOOQIPCGWRR-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230089;MM230089;COC1(C)CC(N)(CN)C1;MMKSQYBRILVWCN-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230090;MM230090;COC1(C)CC(N)(CO)C1;FOWSWNWZBXGRBP-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230091;MM230091;CCC1(O)CC(C)(OC)C1;GUZKWJUXALEWBW-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230092;MM230092;COC1(C)CC(O)(CN)C1;NVZMHZMTEAYVPT-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230093;MM230093;COC1(C)CC(O)(CO)C1;HOPIQPYESRUYHF-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230094;MM230094;COC1(C)CC(O)(CF)C1;IOMGQLBAWRSMFF-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230095;MM230095;CCC1(F)CC(C)(OC)C1;MNFQFQJQGQDVJK-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230096;MM230096;COC1(C)CC(F)(CN)C1;WZOSTBNOSCMAIP-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230097;MM230097;COC1(C)CC(F)(CO)C1;MKNGNRZLZWSSPU-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230098;MM230098;CNC1(C)CC(C)(NC)C1;YVHJUXVPACNUFM-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230099;MM230099;CNC1(C)CC(C)(OC)C1;AXLZSUMCUOTMES-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230100;MM230100;COC1(C)CC(C)(OC)C1;AFYSFZKPXFEPNL-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230101;MM230101;CCC1(C)CC(C)(CC)N1;HWPPEYMIXMDPFW-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230102;MM230102;CCC1(C)CC(C)(CN)N1;WNTNNZRFIJMVCE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230103;MM230103;CCC1(C)CC(C)(CO)N1;UPJGEWBSWXKQTI-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230104;MM230104;CC1(CN)CC(C)(CN)N1;UKYSSESHUWCPNF-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230105;MM230105;CC1(CN)CC(C)(CO)N1;NEJDYMCGCSHKDK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230106;MM230106;CC1(CO)CC(C)(CF)N1;LHZRNEAEQRTAAB-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230107;MM230107;CCC1(C)CC(C)(CC)O1;WCYHPXIVPGGSQT-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230108;MM230108;CCC1(C)CC(C)(CN)O1;RFOFQMANMQJFIA-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230109;MM230109;CCC1(C)CC(C)(CO)O1;TURDARSMJXVJQE-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230110;MM230110;CC1(CN)CC(C)(CN)O1;NCGNAGNYKJWJNG-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230111;MM230111;CC1(CN)CC(C)(CO)O1;ZSTGANBVVLMXHM-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230112;MM230112;CC1(CN)CC(C)(CF)O1;JWIZSIMMZHAEMI-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230113;MM230113;C=CC1(C)CC(C)(CC)C1;AZAXGNWTRVWKIM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230114;MM230114;CCC1(C)CC(C)(C=O)C1;CQRAGOFZMGUYFN-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230115;MM230115;CCC1(C)CC(C)(C#N)C1;ZTPXCBNWMWZMKT-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230116;MM230116;C=CC1(C)CC(C)(CN)C1;XJOLTMCRZGZBKK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230117;MM230117;C=NN(C)C1CC1(C)O;OZMFYGAVZKXJFB-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230118;MM230118;CC1(CO)CC(=O)N1N;BODVMWRSDOLWJG-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230119;MM230119;C=CC1(C)CC(C)(CF)C1;HGOLMCRWZOYDGI-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230120;MM230120;CC1(C=O)CC(C)(CF)C1;FPZRPGPHUUTMBT-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230121;MM230121;CC1(C#N)CC(C)(CF)C1;NYGXMZVXQYYFFR-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230122;MM230122;C=CC1(N)CC(C)(CC)C1;HIWJZQOOQDLCPB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230123;MM230123;C=CC1(N)CC(C)(CN)C1;GLTRFFGSFMZNLL-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230124;MM230124;C=CC1(N)CC(C)(CO)C1;JVRSDDVMTJNJFM-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230125;MM230125;C=CC1(N)CC(C)(CF)C1;OZFWGPMHVFFLIB-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230126;MM230126;C#CC1N(C)C1(C)CO;WLBIVYBCCJCHCA-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230127;MM230127;CCC1(C)CC(O)(C=O)C1;HSIFVHHOGLUPRN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230128;MM230128;CCC1(C)CC(O)(C#N)C1;KTCRLSPFYITHJB-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230129;MM230129;C=CC1(O)CC(C)(CF)C1;SHJIXALSWNROEV-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230130;MM230130;CC1(CF)CC(O)(C=O)C1;CDULNTLEVDHGHI-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230131;MM230131;CC1(CF)CC(O)(C#N)C1;JUSFDYCCEPMUIQ-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230132;MM230132;C=CC1(F)CC(C)(CC)C1;FCQODUFCLPQHDF-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230133;MM230133;CCC1(C)CC(F)(C=O)C1;UCDWRQZDMYEWNV-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230134;MM230134;CCC1(C)CC(F)(C#N)C1;OAKQPTQFBJOLNS-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230135;MM230135;C=CC1(F)CC(C)(CN)C1;RNRBDFFPNCPCTO-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230136;MM230136;CC1(CO)CC(F)(C=O)C1;PRTWPFSPBJTYEA-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230137;MM230137;CC1(CO)CC(F)(C#N)C1;HYLLEKRNCYWUCM-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230138;MM230138;C=CC1(F)CC(C)(CF)C1;FEZASWMMOGRMRI-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230139;MM230139;CC1(CF)CC(F)(C=O)C1;LSZPKWAECUBECZ-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230140;MM230140;CC1(CF)CC(F)(C#N)C1;DJEZIZQGUKSOQF-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230141;MM230141;C=CC1(C)CC(N)(CC)C1;VPJHJMAXUBCZSW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230142;MM230142;C=CC1(C)CC(N)(CN)C1;AUVGHQKRWHOMSS-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230143;MM230143;C=CC1(C)CC(N)(CO)C1;GWDNDOSDYKBANC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230144;MM230144;C=CC1(C)CC(N)(CF)C1;UERAXJVGAPZEPJ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230145;MM230145;C=CC1(N)CC(N)(CC)C1;PMJREGLMRHTIOM-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230146;MM230146;C=CC1(N)CC(N)(CN)C1;NJDZZLSSRINMBZ-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230147;MM230147;C=CC1(N)CC(N)(CO)C1;MSSNNZFSRXUWEM-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230148;MM230148;C=CC1(O)CC(N)(CC)C1;QISYWAUKPHCDBR-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230149;MM230149;C=CC1(O)CC(N)(CN)C1;AKNKAFIFAKCMNB-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230150;MM230150;C=CC1(O)CC(N)(CO)C1;MBSWRGFYSYXQHP-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230151;MM230151;C=CC1(O)CC(N)(CF)C1;KWMORSCZYOHOTE-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230152;MM230152;C=CC1(F)CC(N)(CC)C1;WWKZGDGGWOUKPH-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230153;MM230153;C=CC1(F)CC(N)(CN)C1;MBXFRCVEMCIYIF-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230154;MM230154;C=CC1(F)CC(N)(CF)C1;BRAIEZZCYGFVPG-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230155;MM230155;CCN=C(NO)C(N)=O;ICJQUAMYKYPCEO-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230156;MM230156;CCC1(O)CC(C)(C=O)C1;NHXHINMLUSYCRS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230157;MM230157;CCC1(O)CC(C)(C#N)C1;QJWDIWCZECGMDE-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230158;MM230158;C=CC1(C)CC(O)(CN)C1;ACHWWNTUXSKDEZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230159;MM230159;C=CC1(C)CC(O)(CO)C1;GEAQNYLRESVCCD-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230160;MM230160;CC1(C=O)CC(O)(CO)C1;CJPHXASFUYDREI-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230161;MM230161;CC1(C#N)CC(O)(CO)C1;PECIZHOSELJAFT-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230162;MM230162;C=CC1(C)CC(O)(CF)C1;PZALFPZSJGJJIK-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230163;MM230163;CC1(C=O)CC(O)(CF)C1;IUUVUSVYUOBBDL-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230164;MM230164;CC1(C#N)CC(O)(CF)C1;DEXQUSLPJUOYOQ-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230165;MM230165;C=CC1(N)CC(O)(CC)C1;BYCLOGHAUHATQV-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230166;MM230166;C=CC1(N)CC(O)(CN)C1;STBQBLVLFXTNII-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230167;MM230167;C=CC1(N)CC(O)(CO)C1;PYRGVZXUFDJOMP-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230168;MM230168;C=CC1(N)CC(O)(CF)C1;WCSMFANBAHPYRQ-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230169;MM230169;C=CC1(O)CC(O)(CC)C1;SDCXNZWISOMSNE-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230170;MM230170;CCC1(O)CC(O)(C=O)C1;AFSPWBICVABKTM-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230171;MM230171;CCC1(O)CC(O)(C#N)C1;MTTPMWYFRSLCIC-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230172;MM230172;C=CC1(O)CC(O)(CN)C1;MTVXTHBYVDJLJP-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230173;MM230173;C=CC1(O)CC(O)(CO)C1;IMQJDRWXRGGSTR-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230174;MM230174;O=CC1(O)CC(O)(CO)C1;WLUODPYLAZZOMR-UHFFFAOYSA-N;146.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230175;MM230175;N#CC1(O)CC(O)(CO)C1;XFPJIIXVYWLSCK-UHFFFAOYSA-N;143.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230176;MM230176;C=CC1(O)CC(O)(CF)C1;GKCUBJFWUKWRTK-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230177;MM230177;O=CC1(O)CC(O)(CF)C1;ZTGZQRSXQKBVRC-UHFFFAOYSA-N;148.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230178;MM230178;C=CC1(F)CC(O)(CC)C1;RTSWUZUPNGCYFS-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230179;MM230179;CCC1(O)CC(F)(C=O)C1;ZZEURRMIBBLZEJ-UHFFFAOYSA-N;146.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230180;MM230180;CCC1(O)CC(F)(C#N)C1;QRIBAQKQPWVXAG-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230181;MM230181;C=CC1(F)CC(O)(CN)C1;CKQCDOJRAXBYHO-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230182;MM230182;C=CC1(F)CC(O)(CO)C1;JRNUVRAMCNUXCL-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230183;MM230183;N#CC1(F)CC(O)(CO)C1;KSSBXBBBPOMNFO-UHFFFAOYSA-N;145.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230184;MM230184;O=CC1(F)CC(O)(CF)C1;QZGVWNGGRUQZMZ-UHFFFAOYSA-N;150.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230185;MM230185;N#CC1(F)CC(O)(CF)C1;DEPIMLORTRSJEP-UHFFFAOYSA-N;147.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230186;MM230186;C=CC1(C)CC(F)(CC)C1;DGLPBILRLKCGCP-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230187;MM230187;CCC1(F)CC(C)(C=O)C1;NFINHQDVXDYJAF-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230188;MM230188;CCC1(F)CC(C)(C#N)C1;LVYBUIHYAWBBKO-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230189;MM230189;C=CC1(C)CC(F)(CN)C1;YEDZGEKAALOULY-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230190;MM230190;C=CC1(C)CC(F)(CO)C1;CLFAWHWEGURMHB-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230191;MM230191;CC1(C=O)CC(F)(CO)C1;KNYLCGAQTJAYOI-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230192;MM230192;CC1(C#N)CC(F)(CO)C1;JBKRDCYKPKQSMR-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230193;MM230193;C=CC1(C)CC(F)(CF)C1;GUPMPQRBDNTBCZ-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230194;MM230194;CC1(C=O)CC(F)(CF)C1;DSEWTYFIYOQRQY-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230195;MM230195;CC1(C#N)CC(F)(CF)C1;MHXNEIKFONNWTK-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230196;MM230196;C=CC1(N)CC(F)(CC)C1;OUKABGRWGXZTBR-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230197;MM230197;C=CC1(N)CC(F)(CN)C1;VTVQHAIRIZLSSW-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230198;MM230198;C=CC1(N)CC(F)(CF)C1;KBJDDZAXHCZDQG-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230199;MM230199;C=CC1(O)CC(F)(CC)C1;HQPMSMFUNSDVGG-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230200;MM230200;CCC1(F)CC(O)(C=O)C1;DXQSSGRTOKQDBM-UHFFFAOYSA-N;146.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230201;MM230201;CCC1(F)CC(O)(C#N)C1;OMZYLSWHEXAUOY-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230202;MM230202;C=CC1(O)CC(F)(CN)C1;KNJNKXGJYXSLAK-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230203;MM230203;C=CC1(O)CC(F)(CO)C1;WABUHLKVKZKRNW-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230204;MM230204;O=CC1(O)CC(F)(CO)C1;KLBVWAQQZGZGPU-UHFFFAOYSA-N;148.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230205;MM230205;C=CC1(O)CC(F)(CF)C1;KDTCELMQQHPOSL-UHFFFAOYSA-N;148.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230206;MM230206;O=CC1(O)CC(F)(CF)C1;QCUREAQGERGJEV-UHFFFAOYSA-N;150.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230207;MM230207;N#CC1(O)CC(F)(CF)C1;QKGHONYHKGXILN-UHFFFAOYSA-N;147.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230208;MM230208;C=CC1(F)CC(F)(CC)C1;YYQBTFLHLBPUQE-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230209;MM230209;CCC1(F)CC(F)(C=O)C1;PGHUTMFGKIHXFY-UHFFFAOYSA-N;148.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230210;MM230210;CCC1(F)CC(F)(C#N)C1;NQMFFDUNXYFWCA-UHFFFAOYSA-N;145.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230211;MM230211;C=CC1(F)CC(F)(CN)C1;WJGRRQSRYZMXSR-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230212;MM230212;C=CC1(F)CC(F)(CO)C1;UNWKKZNBHZXRFC-UHFFFAOYSA-N;148.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230213;MM230213;O=CC1(F)CC(F)(CO)C1;LTVCZIPXYLBRLV-UHFFFAOYSA-N;150.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230214;MM230214;C=CC1(C)CC(C)(NC)C1;BGAYTUVFBZTMTA-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230215;MM230215;CNC1(C)CC(C)(C=O)C1;KHGYKIFHGKYYMF-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230216;MM230216;CNC1(C)CC(C)(C#N)C1;CBJNTVJPRMWQGY-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230217;MM230217;C=CC1(N)CC(C)(NC)C1;RDKGJQMBOJQXSO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230218;MM230218;C=CC1(O)CC(C)(NC)C1;OKAUCWJUUBNUCA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230219;MM230219;CNC1(C)CC(O)(C=O)C1;GYZGIBFOPGQCGP-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230220;MM230220;CNC1(C)CC(O)(C#N)C1;DIBRQMZKQQMEGG-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230221;MM230221;C=CC1(F)CC(C)(NC)C1;HRBVUWJJVOQRKY-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230222;MM230222;CNC1(C)CC(F)(C=O)C1;BXVZPIJHDSVNMG-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230223;MM230223;CNC1(C)CC(F)(C#N)C1;BYZUYPHXUZGNHF-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230224;MM230224;C=CC1(C)CC(C)(OC)C1;ZJGDBHVAYPXQMJ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230225;MM230225;COC1(C)CC(C)(C=O)C1;FBAMGGFRJSATGC-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230226;MM230226;COC1(C)CC(C)(C#N)C1;NUUMUVMZWNCOLV-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230227;MM230227;C=CC1(N)CC(C)(OC)C1;HKSRSKOMSMNVSM-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230228;MM230228;C=CC1(O)CC(C)(OC)C1;UXYXYQKQRZAINW-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230229;MM230229;COC1(C)CC(O)(C=O)C1;DMZYJELJBLASGU-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230230;MM230230;COC1(C)CC(O)(C#N)C1;QNRAOTSYKWBHCA-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230231;MM230231;C=CC1(F)CC(C)(OC)C1;KNCFVDKAYYXYGD-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230232;MM230232;COC1(C)CC(F)(C=O)C1;JDNBMMGKOSQKAD-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230233;MM230233;COC1(C)CC(F)(C#N)C1;NTORHPPFNQTAPW-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230234;MM230234;C=CC1(C)CC(C)(CC)N1;YKSXABMEITWIJW-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230235;MM230235;CCC1(C)CC(C)(C=O)N1;CUZUFIAJXLCWNY-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230236;MM230236;C=CC1(C)CC(C)(CN)N1;IMCMNEWROZMQKD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230237;MM230237;CCCc1cc(N)[nH]n1;SNRYBQUHJRIMJO-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230238;MM230238;CC1(C#N)CC(C)(CF)N1;PYAYDEYVAITPCG-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230239;MM230239;C=CC1(C)CC(C)(CC)O1;LTDVKWDKVAGDCA-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230240;MM230240;CCC1(C)CC(C)(C=O)O1;KEZFKNPBFUYVPI-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230241;MM230241;CCC1(C)CC(C)(C#N)O1;YMLNWUKNNFXMON-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230242;MM230242;C=CC1(C)CC(C)(CN)O1;HYUQXMUATPNGMJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230243;MM230243;CC1(C=O)CC(C)(CO)O1;WSAOZHCOZFSRBY-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230244;MM230244;CC1(C#N)CC(C)(CO)O1;KKVATLBAHLYFGD-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230245;MM230245;C=CC1(C)CC(C)(CF)O1;IKMGNZZFZMHSOQ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230246;MM230246;CC1(C#N)CC(C)(CF)O1;DRLDIXGHLORPKS-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230247;MM230247;C#CC1(C)CC(C)(CC)C1;BPFLXNSPVYYZBQ-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230248;MM230248;C#CC1(C)CC(C)(CN)C1;VBTABPCCBULMMS-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230249;MM230249;Nc1cc(NC=O)c[nH]1;ZQEKIOZXXNREIN-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230250;MM230250;C#CC1(C)CC(C)(CF)C1;MYQRRLSFLBXDBK-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230251;MM230251;C#CC1(N)CC(C)(CC)C1;BMBULUCTPXMXAH-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230252;MM230252;C#CC1(N)CC(C)(CN)C1;HBEMXXXQVHOMJJ-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230253;MM230253;C#CC1(N)CC(C)(CO)C1;MIHARJMHQJMLKE-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230254;MM230254;C#CC1(N)CC(C)(CF)C1;IGVTYGNMHJVSOO-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230255;MM230255;C#CC1(O)CC(C)(CC)C1;GWFGVAOSIWALFW-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230256;MM230256;C#CC1(O)CC(C)(CN)C1;POTNUFKDDDIDEO-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230257;MM230257;C#CC1(F)CC(C)(CC)C1;LEZFZRRNAISIEM-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230258;MM230258;C#CC1(F)CC(C)(CN)C1;KIORBKMAOHQPHR-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230259;MM230259;C#CC1(F)CC(C)(CO)C1;XYAVNAGRQIOKQT-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230260;MM230260;C#CC1(C)CC(N)(CC)C1;OCMCWAKSEWSABB-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230261;MM230261;C#CC1(C)CC(N)(CN)C1;RLLKDSOOGIJXOY-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230262;MM230262;C#CC1(C)CC(N)(CO)C1;ADSQDINUBRIWSN-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230263;MM230263;C#CC1(C)CC(N)(CF)C1;QSRNUPSZXUGXCK-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230264;MM230264;C#CC1(N)CC(N)(CC)C1;ABSYUDIPOGVFSG-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230265;MM230265;C#CC1(N)CC(N)(CN)C1;BJULSUDFVIXYSI-UHFFFAOYSA-N;139.2;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230266;MM230266;C#CC1(N)CC(N)(CO)C1;QVYKHUKORLTSJG-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230267;MM230267;C#CC1(N)CC(N)(CF)C1;RHZISKVJOQVKEW-UHFFFAOYSA-N;142.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230268;MM230268;C#CC1(O)CC(N)(CC)C1;JUVWDVRVDKGILU-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230269;MM230269;C#CC1(O)CC(N)(CN)C1;MEDADKIMOKRLAL-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230270;MM230270;C#CC1(O)CC(N)(CO)C1;LACUGIMFGOIUHT-UHFFFAOYSA-N;141.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230271;MM230271;C#CC1(O)CC(N)(CF)C1;SMVCBTUGJSABBE-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230272;MM230272;C#CC1(F)CC(N)(CC)C1;FUHIVZRPUDKVIW-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230273;MM230273;C#CC1(F)CC(N)(CN)C1;PIRIXSPITCMXCD-UHFFFAOYSA-N;142.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230274;MM230274;C#CC1(F)CC(N)(CO)C1;KCERNORNKBHHRD-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230275;MM230275;C#CC1(F)CC(N)(CF)C1;KSBLRYNHWNJULH-UHFFFAOYSA-N;145.15;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230276;MM230276;OCC12CC(F)=CC1N2;RNEARIFRAMTBJL-UHFFFAOYSA-N;129.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230277;MM230277;C#CC1(C)CC(O)(CN)C1;GRGRGLJWPIOHEB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230278;MM230278;C#CC1(C)CC(O)(CO)C1;RPTUBXIOXCMSTN-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230279;MM230279;C#CC1(C)CC(O)(CF)C1;WBJVXZFIMCNNPR-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230280;MM230280;C#CC1(N)CC(O)(CC)C1;YANGCJGBILEPTK-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230281;MM230281;C#CC1(N)CC(O)(CN)C1;CPAXESGHEASZNU-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230282;MM230282;C#CC1(N)CC(O)(CO)C1;DOCFLMJORLLQEW-UHFFFAOYSA-N;141.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230283;MM230283;C#CC1(N)CC(O)(CF)C1;YDVQTVVBVWBBEI-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230284;MM230284;C#CC1(O)CC(O)(CC)C1;JLICHJPUOHTSRX-UHFFFAOYSA-N;140.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230285;MM230285;C#CC1(O)CC(O)(CN)C1;OFUSGEUDKBVFOZ-UHFFFAOYSA-N;141.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230286;MM230286;C#CC1(O)CC(O)(CO)C1;NTEWZIGGLVMDNT-UHFFFAOYSA-N;142.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230287;MM230287;C#CC1(O)CC(O)(CF)C1;VDLQGUJVOANOIA-UHFFFAOYSA-N;144.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230288;MM230288;C#CC1(F)CC(O)(CC)C1;ONXVWYXZVLOOSE-UHFFFAOYSA-N;142.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230289;MM230289;C#CC1(F)CC(O)(CN)C1;UEADFKYGKHYDDB-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230290;MM230290;C#CC1(F)CC(O)(CO)C1;CHSOTKDZLDRXFZ-UHFFFAOYSA-N;144.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230291;MM230291;C#CC1(F)CC(O)(CF)C1;RYKAGXQXMSOZEF-UHFFFAOYSA-N;146.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230292;MM230292;C#CC1(C)CC(F)(CC)C1;BVOSOVKQXOOWFU-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230293;MM230293;C#CC1(C)CC(F)(CN)C1;NGLNCKJNEPRBCP-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230294;MM230294;C#CC1(C)CC(F)(CO)C1;HUFNOSLLNMVGEC-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230295;MM230295;C#CC1(C)CC(F)(CF)C1;JYQCLYSGXDJSMQ-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230296;MM230296;C#CC1(N)CC(F)(CC)C1;OPUFUOMOBABDTD-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230297;MM230297;C#CC1(N)CC(F)(CN)C1;UWPWGMUBOSXMRT-UHFFFAOYSA-N;142.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230298;MM230298;C#CC1(N)CC(F)(CO)C1;BDAMHIPXQXMNGJ-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230299;MM230299;C#CC1(N)CC(F)(CF)C1;PTZKPTLJUDIDBO-UHFFFAOYSA-N;145.15;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230300;MM230300;C#CC1(O)CC(F)(CC)C1;XTJFEBPBPCPJCG-UHFFFAOYSA-N;142.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230301;MM230301;C#CC1(O)CC(F)(CN)C1;RVVRDHJLLDMSKK-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230302;MM230302;C#CC1(O)CC(F)(CO)C1;GUQWYHYXAHNYAT-UHFFFAOYSA-N;144.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230303;MM230303;C#CC1(O)CC(F)(CF)C1;VCNQZECZPDZMBU-UHFFFAOYSA-N;146.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230304;MM230304;C#CC1(F)CC(F)(CC)C1;MEYPGHZJEHUGTA-UHFFFAOYSA-N;144.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230305;MM230305;C#CC1(F)CC(F)(CN)C1;WRWHWTMMIWEXCZ-UHFFFAOYSA-N;145.15;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230306;MM230306;C#CC1(F)CC(F)(CO)C1;PXUKNDCTERUEHG-UHFFFAOYSA-N;146.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230307;MM230307;C#CC1(C)CC(C)(NC)C1;JWDYRSGERBENHU-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230308;MM230308;C#CC1(N)CC(C)(NC)C1;WQJLTYXVYAESOL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230309;MM230309;C#CC1(O)CC(C)(NC)C1;GPFRUBATGYUYFF-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230310;MM230310;C#CC1(F)CC(C)(NC)C1;WSLQGYGQCGALAB-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230311;MM230311;C#CC1(C)CC(C)(OC)C1;WHTSDXJMPDUMDR-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230312;MM230312;C#CC1(N)CC(C)(OC)C1;SMVOZLOZXSSRGZ-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230313;MM230313;C#CC1(O)CC(C)(OC)C1;XYQZSFVCSZABKI-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230314;MM230314;C#CC1(F)CC(C)(OC)C1;DWLCLHHSDCAIHQ-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230315;MM230315;C#CC1(C)CC(C)(CC)N1;OTHXBONMGPONFQ-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230316;MM230316;C#CC1(C)CC(C)(CN)N1;QZUXZCLSEHZFOT-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230317;MM230317;C#CC1(C)CC(C)(CC)O1;BMLDJWDNAQXDDY-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230318;MM230318;C#CC1(C)CC(C)(CN)O1;OEEIDCUGQVJFAX-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230319;MM230319;C#CC1(C)CC(C)(CO)O1;VZUXIAIFYDYNAK-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230320;MM230320;C=CC1(C)CC(C)(C=C)C1;PNFLXYJSNILHBK-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230321;MM230321;C=CC1(C)CC(C)(C=O)C1;OXKMVPLUVCRVBM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230322;MM230322;C=CC1(C)CC(C)(C#N)C1;UHVLUOKZKDZUME-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230323;MM230323;CC1(C=O)CC(C)(C=O)C1;ZLMDPBWAKDFJKL-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230324;MM230324;CC1(C#N)CC(C)(C=O)C1;JLORGNLMZXPVET-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230325;MM230325;CC1(C#N)CC(C)(C#N)C1;FGUAFCMIDWNTSO-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230326;MM230326;C=CC1(C)CC(N)(C=C)C1;ONUDANSVRIBKPC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230327;MM230327;Nn1c(CO)coc1=O;VHMZFHBEKHGPQT-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230328;MM230328;C=CC1(C)CC(O)(C=O)C1;JHKIPXKVVRTENN-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230329;MM230329;C=CC1(C)CC(O)(C#N)C1;PCGPVZQJOMXIGL-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230330;MM230330;C=CC1(O)CC(C)(C=O)C1;ZVOQJDVFEQBKCP-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230331;MM230331;C=CC1(O)CC(C)(C#N)C1;IICRTCVWEKTNEO-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230332;MM230332;CC1(C=O)CC(O)(C=O)C1;VLNXAZRNLFJPBA-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230333;MM230333;CC1(C=O)CC(O)(C#N)C1;QSRXYYNKCQBITD-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230334;MM230334;CC1(C#N)CC(O)(C=O)C1;NTSSARNGPACXKY-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230335;MM230335;CC1(C#N)CC(O)(C#N)C1;CGVZXAAFLUVNNR-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230336;MM230336;C=CC1(C)CC(F)(C=C)C1;IGWNFSDOZYBDDM-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230337;MM230337;C=CC1(C)CC(F)(C=O)C1;BTBFUWLZHAMTMA-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230338;MM230338;C=CC1(C)CC(F)(C#N)C1;HKMSGRKEJNIMKT-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230339;MM230339;C=CC1(F)CC(C)(C=O)C1;JPEHUELZJPXVKU-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230340;MM230340;C=CC1(F)CC(C)(C#N)C1;NTVOLIPKKBXNMT-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230341;MM230341;CC1(C=O)CC(F)(C=O)C1;XLHDCGAQIIYVIW-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230342;MM230342;CC1(C=O)CC(F)(C#N)C1;ZFAGTDQONIBSIN-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230343;MM230343;CC1(C#N)CC(F)(C=O)C1;AKGRQOHNGGQWLD-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230344;MM230344;CC1(C#N)CC(F)(C#N)C1;VXHCHMNPJLQCOS-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230345;MM230345;C=CC1(N)CC(N)(C=C)C1;IJDTUWRGSNJZQZ-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230346;MM230346;C=CC1(N)CC(O)(C=C)C1;PXRSJLDYBJFRKV-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230347;MM230347;C=CC1(N)CC(F)(C=C)C1;OYNPENXVRXAXEL-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230348;MM230348;C=CC1(O)CC(O)(C=C)C1;DKEWZESQOUUJQD-UHFFFAOYSA-N;140.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230349;MM230349;C=CC1(O)CC(O)(C=O)C1;KGBSXMWIMKSPJV-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230350;MM230350;C=CC1(O)CC(O)(C#N)C1;RXDMLKSMSODLJO-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230351;MM230351;O=CC1(O)CC(O)(C=O)C1;LAVOFOHBNPRPHS-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230352;MM230352;N#CC1(O)CC(O)(C=O)C1;GWHZZDDLBLFBAZ-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230353;MM230353;N#CC1(O)CC(O)(C#N)C1;FTUDWWYFXMUSPB-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230354;MM230354;C=CC1(O)CC(F)(C=C)C1;ZTNIXGBFEVGTQM-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230355;MM230355;C=CC1(O)CC(F)(C=O)C1;PHDVAIYNRFUDLU-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230356;MM230356;C=CC1(O)CC(F)(C#N)C1;JDSBYJSFEICFMA-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230357;MM230357;C=CC1(F)CC(O)(C=O)C1;PXOHZQYBGKYRLK-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230358;MM230358;C=CC1(F)CC(O)(C#N)C1;WJKVHMJNFDNTNE-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230359;MM230359;O=CC1(O)CC(F)(C=O)C1;VSTAOBHUSOLWRK-UHFFFAOYSA-N;146.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230360;MM230360;N#CC1(O)CC(F)(C=O)C1;QERZHZMSPGDGSG-UHFFFAOYSA-N;143.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230361;MM230361;N#CC1(O)CC(F)(C#N)C1;JAHWPFRFGBCDTN-UHFFFAOYSA-N;140.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230362;MM230362;C=CC1(F)CC(F)(C=C)C1;MBUKHYZSBIBLPP-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230363;MM230363;C=CC1(F)CC(F)(C=O)C1;VPZDJZNYDIQTLE-UHFFFAOYSA-N;146.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230364;MM230364;C=CC1(F)CC(F)(C#N)C1;JQBWGLXBWXVBJE-UHFFFAOYSA-N;143.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230365;MM230365;O=CC1(F)CC(F)(C=O)C1;VOEMKXJSRONVQH-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230366;MM230366;N#CC1(F)CC(F)(C=O)C1;ZYVSFSBBIRNLDE-UHFFFAOYSA-N;145.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230367;MM230367;N#CC1(F)CC(F)(C#N)C1;NDCLBAANPNGVQJ-UHFFFAOYSA-N;142.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230368;MM230368;C=CC1(C)CC(C)(C=C)N1;CUXYLTAZVQFCRR-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230369;MM230369;C=CC1(C)CC(C)(C#N)N1;OAVKKRCPLAKFJA-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230370;MM230370;CC1(C#N)CC(C)(C=O)N1;RTMXZZFJBCJKSD-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230371;MM230371;CC1(C#N)CC(C)(C#N)N1;KNGQFQHCRSULEB-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230372;MM230372;C=CC1(C)CC(C)(C=C)O1;RQNCTTMMCKQRCX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230373;MM230373;C=CC1(C)CC(C)(C=O)O1;GIRBLGLOXYEWSS-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230374;MM230374;C=CC1(C)CC(C)(C#N)O1;NIRHGVAATSSRQF-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230375;MM230375;CC1(C#N)CC(C)(C=O)O1;UOMXEZKDCGZMSJ-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230376;MM230376;CC1(C#N)CC(C)(C#N)O1;OPCJWYYZKBSNEB-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230377;MM230377;C#CC1(C)CC(C)(C=C)C1;FJWZCDRTXUPXPA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230378;MM230378;C#CC1(C)CC(C)(C=O)C1;XWGASYHYPUIBNM-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230379;MM230379;C#CC1(C)CC(C)(C#N)C1;GUCXOMZBKCJVRG-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230380;MM230380;C#CC1(N)CC(C)(C=C)C1;YKAZJLWVDHKCDR-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230381;MM230381;C#CC1(O)CC(C)(C=C)C1;KAGFGNZBHJVHNR-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230382;MM230382;C#CC1(O)CC(C)(C=O)C1;QZWFTTOWBYEXID-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230383;MM230383;C#CC1(O)CC(C)(C#N)C1;LZBJZPJKQJULNR-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230384;MM230384;C#CC1(F)CC(C)(C=C)C1;VLDWHWVYCQMGOY-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230385;MM230385;C#CC1(F)CC(C)(C=O)C1;FBYOMQIJSZXGOJ-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230386;MM230386;C#CC1(F)CC(C)(C#N)C1;ZROKFFLFTCQAFA-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230387;MM230387;C#CC1(C)CC(N)(C=C)C1;COGZJOCAVBRJLJ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230388;MM230388;C#CC1(N)CC(N)(C=C)C1;GZDAEDFMGUYDGF-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230389;MM230389;C#CC1(O)CC(N)(C=C)C1;LMDCISFLEZSMRL-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230390;MM230390;C#CC1(F)CC(N)(C=C)C1;KLEQEQCGLMQUHH-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230391;MM230391;CNc1ccn(O)c1N;FAEQIPSUBUCQNH-UHFFFAOYSA-N;127.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230392;MM230392;C#CC1(C)CC(O)(C=O)C1;AUGDZBXXQLLHPP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230393;MM230393;C#CC1(C)CC(O)(C#N)C1;OYSOPQINMHJNDU-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230394;MM230394;C#CC1(N)CC(O)(C=C)C1;ONPADNFLTUHPFA-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230395;MM230395;C#CC1(O)CC(O)(C=C)C1;HWAWYSFLPVQJFE-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230396;MM230396;C#CC1(O)CC(O)(C=O)C1;IZIIMFJHSUTIGY-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230397;MM230397;C#CC1(O)CC(O)(C#N)C1;REZBFKLTZLWTPB-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230398;MM230398;C#CC1(F)CC(O)(C=C)C1;SOHDRCSNCSFFAK-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230399;MM230399;C#CC1(F)CC(O)(C=O)C1;HBARYRPLOJGLTF-UHFFFAOYSA-N;142.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230400;MM230400;C#CC1(F)CC(O)(C#N)C1;WPOWNUFDQCMSRC-UHFFFAOYSA-N;139.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230401;MM230401;C#CC1(C)CC(F)(C=C)C1;MYGJYTOCUVDEGO-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230402;MM230402;C#CC1(C)CC(F)(C=O)C1;SMHNRKQXBDNQAY-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230403;MM230403;C#CC1(C)CC(F)(C#N)C1;BYEUHGAFFDHRHF-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230404;MM230404;C#CC1(N)CC(F)(C=C)C1;KNMWCUVFDRBDRW-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230405;MM230405;C#CC1(O)CC(F)(C=C)C1;IJSMWWZAPJNLTD-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230406;MM230406;C#CC1(O)CC(F)(C=O)C1;XHUYUSOWKUQGIQ-UHFFFAOYSA-N;142.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230407;MM230407;C#CC1(O)CC(F)(C#N)C1;NMEXIDCYYXUVIU-UHFFFAOYSA-N;139.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230408;MM230408;C#CC1(F)CC(F)(C=C)C1;DBTSJNCJMXMGME-UHFFFAOYSA-N;142.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230409;MM230409;C#CC1(F)CC(F)(C=O)C1;VKGABJJOEZKENT-UHFFFAOYSA-N;144.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230410;MM230410;C#CC1(F)CC(F)(C#N)C1;ITCBTYMMEFFVEK-UHFFFAOYSA-N;141.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230411;MM230411;C#CC1(C)CC(C)(C=C)N1;VAOYRQXDNYFBBE-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230412;MM230412;C#CC1(C)CC(C)(C#N)N1;GSIGNABAISJGTG-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230413;MM230413;C#CC1(C)CC(C)(C=C)O1;LBEGXULAOLNUCD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230414;MM230414;C#CC1(C)CC(C)(C=O)O1;GLJWVNRRDVZDJW-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230415;MM230415;C#CC1(C)CC(C)(C#N)O1;VCFFQFATLZVVOO-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230416;MM230416;C#CC1(C)CC(C)(C#C)C1;KNMFIWWNTZKOBX-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230417;MM230417;C#CC1(C)CC(N)(C#C)C1;BENPTACCJURMFG-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230418;MM230418;C#CC1(C)CC(O)(C#C)C1;KZHAOTNBULBCPA-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230419;MM230419;C#CC1(C)CC(F)(C#C)C1;IKHMMZJBGIKYRT-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230420;MM230420;C#CC1(N)CC(N)(C#C)C1;JECILPVLPQTFSQ-UHFFFAOYSA-N;134.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230421;MM230421;C#CC1(N)CC(O)(C#C)C1;XVAIDAIOHGVIPZ-UHFFFAOYSA-N;135.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230422;MM230422;C#CC1(N)CC(F)(C#C)C1;QTTPPZHVBBJKKL-UHFFFAOYSA-N;137.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230423;MM230423;C#CC1(O)CC(O)(C#C)C1;KEPBBUHNLOBDNF-UHFFFAOYSA-N;136.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230424;MM230424;C#CC1(O)CC(F)(C#C)C1;LYTLVYMZHXPDSM-UHFFFAOYSA-N;138.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230425;MM230425;C#CC1(F)CC(F)(C#C)C1;QUUOGLFANSBSKS-UHFFFAOYSA-N;140.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230426;MM230426;C#CC1(C)CC(C)(C#C)N1;BTAUPNOYLZRSMY-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230427;MM230427;C#CC1(C)CC(C)(C#C)O1;GFXKYNNUYTZIHL-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230428;MM230428;CCC1(C)CC1C(C)(C)C;UGQMLOAMFRDOMO-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230429;MM230429;CC(C)(C)C1CC1(C)CN;CYPQKZDTFVINMS-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230430;MM230430;CNc1c[nH]c(CO)c1;KMEACJDLTPILFU-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230431;MM230431;CC(C)(C)C1CC1(C)CF;WCEWVGSERCJQCA-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230432;MM230432;CCC1(C)CC1C(C)(C)N;XFVSDUPVKLVCSY-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230433;MM230433;CC(C)(N)C1CC1(C)CN;ZRPMDMVHNSXOIZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230434;MM230434;CC(C)(N)C1CC1(C)CO;NTERFBSLMMWSQZ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230435;MM230435;N#CC(CO)CN1CC1;BTKZYLFPKCDWFL-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230436;MM230436;CC(C)(O)C1CC1(C)CN;BYACTEFHCDFXGX-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230437;MM230437;CC(C)(O)C1CC1(C)CO;WKJFUYSCCCDQGC-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230438;MM230438;CC(C)(O)C1CC1(C)CF;BKSWNEHHKFNRNQ-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230439;MM230439;CCC1(C)CC1C(C)(C)F;RUPZQXARLHIECV-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230440;MM230440;CC(C)(F)C1CC1(C)CN;WOSORYVYIDQNCM-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230441;MM230441;CC(C)(F)C1CC1(C)CF;IWZWBGZOQWENIL-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230442;MM230442;CCC1(C)CC1C(C)(F)F;MUZFBVLOIGBBKN-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230443;MM230443;CC(F)(F)C1CC1(C)CN;HUAQVOWWNOZFEE-UHFFFAOYSA-N;149.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230444;MM230444;CC(F)(F)C1CC1(C)CO;FODZOYNGIILUAW-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230445;MM230445;CC(F)(F)C1CC1(C)CF;NEZJYNDTXPXTDW-UHFFFAOYSA-N;152.16;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230446;MM230446;CCC1(C)CC1C(F)(F)F;LCHBPJBBAQZOSY-UHFFFAOYSA-N;152.16;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230447;MM230447;CC1(CF)CC1C(F)(F)F;MUQQDCCABXFEEY-UHFFFAOYSA-N;156.12;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230448;MM230448;CCC1(N)CC1C(C)(C)C;AEWATQMJNIHCHF-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230449;MM230449;CC(C)(C)C1CC1(N)CN;YPBHUXKULSOWOY-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230450;MM230450;CC(C)(C)C1CC1(N)CO;KBOIDPWWXHERGX-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230451;MM230451;CCC1(N)CC1C(C)(C)N;MLKBAACZGPITNN-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230452;MM230452;CC(C)(N)C1CC1(N)CN;QDXLEFHOUSNOAG-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230453;MM230453;CCC1(N)CC1C(C)(C)O;UKSXCTQVBIFLMU-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230454;MM230454;CC(C)(O)C1CC1(N)CN;DBSWLMAFEOBSFB-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230455;MM230455;CCC1(N)CC1C(C)(C)F;NJWFRXIEAKFYKN-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230456;MM230456;CC(C)(F)C1CC1(N)CN;UMKJGSJIQKOUKM-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230457;MM230457;CC(C)(F)C1CC1(N)CO;VUSQHYGGBTWXJL-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230458;MM230458;CC(F)(F)C1CC1(N)CN;RLROUIWQMSDUHT-UHFFFAOYSA-N;150.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230459;MM230459;CC(F)(F)C1CC1(N)CO;KLOCBKLALPSKBJ-UHFFFAOYSA-N;151.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230460;MM230460;CC(F)(F)C1CC1(N)CF;BNCPYTWAKWZQQM-UHFFFAOYSA-N;153.15;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230461;MM230461;NCC1(N)CC1C(F)(F)F;RHZPVYSJIJKLRI-UHFFFAOYSA-N;154.14;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230462;MM230462;NC1(CO)CC1C(F)(F)F;ROACTWGIQHYKNS-UHFFFAOYSA-N;155.12;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230463;MM230463;C=CC#Cc1cc[nH]n1;CDARJWCFSWWAGL-UHFFFAOYSA-N;118.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230464;MM230464;CC(C)(C)C1CC1(O)CN;DJAQTMIGSUFITO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230465;MM230465;CC(C)(C)C1CC1(O)CO;ZJGYIKSSSXVAOW-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230466;MM230466;CC(C)(C)C1CC1(O)CF;XISXUZMKTGTQSP-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230467;MM230467;CCC1(O)CC1C(C)(C)N;FTNVVJDRFSSTHJ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230468;MM230468;CC(C)(N)C1CC1(O)CN;RPGWIZXFRVWHCD-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230469;MM230469;CC(C)(N)C1CC1(O)CO;DVLKYEPBTOXIKG-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230470;MM230470;CCC1(O)CC1C(C)(C)O;BCJYZZUAWPUBGB-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230471;MM230471;CC(C)(O)C1CC1(O)CN;DHVAENWCSMBILS-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230472;MM230472;CC(C)(O)C1CC1(O)CO;VGPBRPXOBZPTBC-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230473;MM230473;CCC1(O)CC1C(C)(C)F;SBEHZWVBTLUJAA-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230474;MM230474;CCC1(O)CC1C(C)(F)F;JMTKZSNRSNARTM-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230475;MM230475;CCC1(F)CC1C(C)(C)C;OIIMDJZMTLXQLT-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230476;MM230476;CC(C)(C)C1CC1(F)CN;MXXFDOWBBLEADN-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230477;MM230477;CC(C)(C)C1CC1(F)CO;VRPOTXUTBIVCCV-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230478;MM230478;CC(C)(C)C1CC1(F)CF;HZPNTFPCLCELEA-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230479;MM230479;CCC1(F)CC1C(C)(C)N;JQJQPFQRGJZEGI-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230480;MM230480;CC(C)(N)C1CC1(F)CN;SVZYCIVUHYKFGR-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230481;MM230481;CC(C)(N)C1CC1(F)CO;DXPVXXCZNFTLNS-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230482;MM230482;CC(C)(N)C1CC1(F)CF;KXUPUZUUNHFQOG-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230483;MM230483;CCC1(F)CC1C(C)(C)O;SRBKBMZSZUUHBY-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230484;MM230484;CC(C)(O)C1CC1(F)CN;NHFZUVKUAFJFSD-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230485;MM230485;CCC1(F)CC1C(C)(C)F;YHSWCNDMWFTHJS-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230486;MM230486;CC(C)(F)C1CC1(F)CN;FAEZTNPMYZIFIH-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230487;MM230487;CC(C)(F)C1CC1(F)CO;FCUZAXAARVUTRT-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230488;MM230488;CCC1(F)CC1C(C)(F)F;DTKOAWHAGFTURE-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230489;MM230489;NCC1(F)CC1C(F)(F)F;CUUPHDKMPPAXMH-UHFFFAOYSA-N;157.11;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230490;MM230490;CNC1(C)CC1C(C)(C)C;XNZLKBFJCHHMFI-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230491;MM230491;CNC1(C)CC1C(C)(C)N;BFYSSAWDNATMTN-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230492;MM230492;CNC1(C)CC1C(C)(C)O;OPPJZHPRHURGNU-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230493;MM230493;CNC1(C)CC1C(C)(C)F;IWZOOMWOQJTFQC-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230494;MM230494;COC1(C)CC1C(C)(C)C;APAUJMDYBROXSQ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230495;MM230495;COC1(C)CC1C(C)(C)F;DMNOKEFSPGFTFK-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230496;MM230496;COC1(C)CC1C(C)(F)F;JQEMXUSYCDDMGK-UHFFFAOYSA-N;150.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230497;MM230497;COC1(C)CC1C(F)(F)F;XLJMQMGKJUCZIK-UHFFFAOYSA-N;154.13;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230498;MM230498;CC(C)(C)C1NC1(C)CN;AFNCDEQLCNORHN-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230499;MM230499;CCC1(C)NC1C(C)(C)N;NHPCQDICVSTSHD-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230500;MM230500;CC(O)CN(O)C=NC=N;FKJQBJBLORVJKO-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230501;MM230501;N=C(N)C(=O)CNC(N)=O;NXVWKSOXRZEHNZ-UHFFFAOYSA-N;144.13;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230502;MM230502;CCC1(C)OC1C(C)(C)C;WLDLFNQIHNEYRE-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230503;MM230503;CCC1(C)OC1C(C)(C)N;GBMLGUNXEVLXEA-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230504;MM230504;CCC1(C)OC1C(C)(C)O;HSQPUZSPFWDRPA-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230505;MM230505;CC(C)(O)C1OC1(C)CN;WRSXOJLQWZUILZ-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230506;MM230506;CCC1(C)OC1C(C)(C)F;VQKGQQSOPDGZDJ-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230507;MM230507;CCC1(C)OC1C(C)(F)F;UVCDVSGACUBPIU-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230508;MM230508;CCC1(C)OC1C(F)(F)F;BAGYLIZCDVBJGE-UHFFFAOYSA-N;154.13;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230509;MM230509;CC1(CN)OC1C(F)(F)F;DFAQKECHFYGRNF-UHFFFAOYSA-N;155.12;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230510;MM230510;CC(C)(C)N1CC1(C)CN;JZJVYIAEIDEPFK-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230511;MM230511;CCC1(C)CCC(C)(C)C1;ISWFTFWCQBRONG-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230512;MM230512;CC1(C)CCC(C)(CN)C1;HWQKBCSXQZATKC-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230513;MM230513;CCC1(C)CCC(C)(N)C1;KXNGJICXSMFZFA-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230514;MM230514;CC1(N)CCC(C)(CN)C1;GJBNRFFBJRDYRH-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230515;MM230515;CC1(N)CCC(C)(CF)C1;RVILHJQIMDAOCA-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230516;MM230516;CC(=O)N(N)C1CC1(C)O;XJRZRKRCZZIPGD-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230517;MM230517;CC1(O)CCC(C)(CN)C1;QRWRKXKFVVROHC-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230518;MM230518;CC1(O)CCC(C)(CO)C1;FKTFKGNSZPFILC-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230519;MM230519;CC1(O)CCC(C)(CF)C1;UCNYEETWVDPSAC-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230520;MM230520;CC1(F)CCC(C)(CN)C1;BBVJCMJRBGKLDG-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230521;MM230521;CC1(F)CCC(C)(CO)C1;WDMCMFYHJRPVHS-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230522;MM230522;CCC1(C)CCC(F)(F)C1;CFTJOTBJUHVFMV-UHFFFAOYSA-N;148.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230523;MM230523;CC1(CF)CCC(F)(F)C1;YXFAVUMQULGSSC-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230524;MM230524;CCC1(N)CCC(C)(C)C1;UNLMZJKJDLLHRR-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230525;MM230525;CC1(C)CCC(N)(CN)C1;JNGHFKXSCWPSBL-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230526;MM230526;CC1(C)CCC(N)(CF)C1;FARWXKBLFLPHHM-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230527;MM230527;CCC1(N)CCC(C)(N)C1;AKTIWYHDVKWGMJ-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230528;MM230528;CC1(N)CCC(N)(CN)C1;WJNMUNOHOUEOBW-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230529;MM230529;CC1(N)CCC(N)(CO)C1;NPDYSZPCOXSKPL-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230530;MM230530;CC1(N)CCC(N)(CF)C1;ZPJSVGZFJYWYDL-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230531;MM230531;CCC1(N)CCC(C)(O)C1;KWTPHKAAKDNHCU-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230532;MM230532;CC1(O)CCC(N)(CN)C1;OOAYBXQUGABNTH-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230533;MM230533;CC1(O)CCC(N)(CF)C1;WAYXSFSIMGKAFT-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230534;MM230534;CCC1(N)CCC(C)(F)C1;RTUVLIRMYRTGPC-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230535;MM230535;CC1(F)CCC(N)(CN)C1;WLFZELZHCBMMAJ-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230536;MM230536;CC1(F)CCC(N)(CO)C1;SADQFJLCFPEKCV-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230537;MM230537;CCC1(N)CCC(F)(F)C1;LEOKTNHQEYMYHT-UHFFFAOYSA-N;149.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230538;MM230538;NC1(CO)CCC(F)(F)C1;PTSOTYJLODQUKH-UHFFFAOYSA-N;151.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230539;MM230539;C=NN(CC)C1CC1(C)O;MAAFRMUYSCTFFG-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230540;MM230540;CC1(C)CCC(O)(CN)C1;DOZNMAOYISGCEN-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230541;MM230541;CC1(C)CCC(O)(CO)C1;DAGZIIWGADVJEE-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230542;MM230542;CCC1(O)CCC(C)(N)C1;QQHMCLQLHNFVSG-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230543;MM230543;CC1(N)CCC(O)(CN)C1;WTHDNPDVNIUJOM-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230544;MM230544;CC1(N)CCC(O)(CO)C1;PBVMONMELXXPCC-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230545;MM230545;CCC1(O)CCC(C)(O)C1;DPWPMOAMYXEUKV-UHFFFAOYSA-N;144.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230546;MM230546;CC1(O)CCC(O)(CN)C1;SYRLCVMMBVVQIE-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230547;MM230547;CC1(O)CCC(O)(CO)C1;DAXQPNBQFGAXDZ-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230548;MM230548;CCC1(O)CCC(C)(F)C1;TYQIEMIDPSGSJA-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230549;MM230549;CC1(F)CCC(O)(CF)C1;AVOFIRPQEKJGCG-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230550;MM230550;CCC1(F)CCC(C)(C)C1;CZADAYMLNZMQAL-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230551;MM230551;CC1(C)CCC(F)(CN)C1;FFOKLJARIJLLHC-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230552;MM230552;CCC1(F)CCC(C)(N)C1;IJEWJQXSCXMDQB-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230553;MM230553;CC1(N)CCC(F)(CN)C1;XREKJQMUDMQGEV-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230554;MM230554;CC1(N)CCC(F)(CO)C1;IEECYBBVXJQUGZ-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230555;MM230555;CCC1(F)CCC(C)(O)C1;JMEIRJMNFWAMFZ-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230556;MM230556;CC1(O)CCC(F)(CN)C1;ZBYPJTXSLUFGDD-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230557;MM230557;CC1(O)CCC(F)(CO)C1;QJIFFABPNCEQDK-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230558;MM230558;CCC1(F)CCC(C)(F)C1;NCGKTCPLFATJSQ-UHFFFAOYSA-N;148.2;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230559;MM230559;CC1(F)CCC(F)(CN)C1;ISPIMQKUHXTXLP-UHFFFAOYSA-N;149.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230560;MM230560;CC1(F)CCC(F)(CO)C1;QPXDIUXAJNGAFW-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230561;MM230561;NCC1(F)CCC(F)(F)C1;RDQMOJPBHCVNDW-UHFFFAOYSA-N;153.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230562;MM230562;CNC1(C)CCC(C)(C)C1;AKEFJTISTMWMKJ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230563;MM230563;CNC1(C)CCC(C)(N)C1;HXUSUWLBPSFMBE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230564;MM230564;CNC1(C)CCC(C)(O)C1;NOLHNJUZJKOPLG-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230565;MM230565;CNC1(C)CCC(C)(F)C1;IQZDHFLLVHJYAU-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230566;MM230566;CNC1(C)CCC(F)(F)C1;YDNKHTVJCPABGC-UHFFFAOYSA-N;149.18;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230567;MM230567;COC1(C)CCC(C)(C)C1;QZLYFOXMNZINIU-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230568;MM230568;COC1(C)CCC(F)(F)C1;DODPXAXIOJMLNJ-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230569;MM230569;CCC1(C)CNC(C)(C)C1;HFOPGJIJBPTFMG-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230570;MM230570;CC1(CN)CNC(C)(C)C1;KXRNUFYOZBUWAD-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230571;MM230571;CC1(CO)CNC(C)(C)C1;QNAMZYYRIXMUNK-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230572;MM230572;CCC1(N)CNC(C)(C)C1;XVDHBLSUUAGFHM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230573;MM230573;CC1(C)CC(N)(CN)CN1;IVFCSQZEMZOAIF-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230574;MM230574;CC1(C)CC(N)(CO)CN1;LSNGZLWNSKLPRF-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230575;MM230575;CC1(C)CC(N)(CF)CN1;GUNXCIJGKCUTMK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230576;MM230576;CCC1(O)CNC(C)(C)C1;PFBUDZLYYHLFNB-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230577;MM230577;CC1(C)CC(O)(CN)CN1;QWBPFRWUKHDTHW-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230578;MM230578;CC1(C)CC(O)(CO)CN1;GAYNRPKSCSPBKH-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230579;MM230579;CCC1(F)CNC(C)(C)C1;GIGPIJWWCWMVLA-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230580;MM230580;CC1(C)CC(F)(CN)CN1;FDQBUNZNRFIWID-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230581;MM230581;CC1(C)CC(F)(CO)CN1;ZPFHIKGNFUZIKP-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230582;MM230582;CNC1(C)CNC(C)(C)C1;FTBRHCHYXYEYGJ-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230583;MM230583;COC1(C)CNC(C)(C)C1;DXMXSPOONJKKDM-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230584;MM230584;CC1(CN)COC(C)(C)C1;URHAEZCSYBCRNW-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230585;MM230585;CC1(CO)COC(C)(C)C1;HEPQTATXTJOJCR-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230586;MM230586;CCC1(N)COC(C)(C)C1;SBHJDNIAYVUCON-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230587;MM230587;CC1(C)CC(N)(CO)CO1;RHDPSDBJUWXWEU-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230588;MM230588;CCC1(O)COC(C)(C)C1;IKDMDOXBWBTIHY-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230589;MM230589;CC1(C)CC(O)(CN)CO1;RDEYKELBMAZQSX-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230590;MM230590;CC1(C)CC(O)(CO)CO1;UXMCSMKCEKMGPU-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230591;MM230591;CCC1(F)COC(C)(C)C1;CYWSKCUDCHICBN-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230592;MM230592;CNC1(C)COC(C)(C)C1;XBAINKZILYJKOU-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230593;MM230593;COC1(C)COC(C)(C)C1;WMYJCXDSGKSACQ-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230594;MM230594;CCC1(C)CC(C)(C)CN1;GLMPUWYXVMKBLM-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230595;MM230595;CC1(C)CNC(C)(CN)C1;GGDDDRJOAHUYHH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230596;MM230596;CC1(C)CNC(C)(CO)C1;HNNCKAKREMQYGD-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230597;MM230597;CCC1(C)CC(C)(N)CN1;KTNMTWVIILCVTR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230598;MM230598;CC1(N)CNC(C)(CN)C1;SYIVOFWNPBVJRO-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230599;MM230599;CCC1(C)CC(C)(O)CN1;SQDWJNPQNZUMQE-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230600;MM230600;CC1(O)CNC(C)(CN)C1;FRRKDBJYQVLKSR-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230601;MM230601;CCC1(C)CC(C)(F)CN1;RSNHXFNEIKJURU-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230602;MM230602;CC1(F)CNC(C)(CO)C1;GZYBDHWHFNFJMM-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230603;MM230603;CC1(CN)CC(F)(F)CN1;PPPNVEDRRRMAIP-UHFFFAOYSA-N;150.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230604;MM230604;CC1(C)COC(C)(CN)C1;ZIGBMVVKMIBWSC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230605;MM230605;CCC1(C)CC(C)(N)CO1;GGDANQRNRFZYRH-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230606;MM230606;CC1(N)COC(C)(CN)C1;PROYRNHRRYOXGZ-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230607;MM230607;CCC1(C)CC(C)(O)CO1;OYPMJPKSMARHJW-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230608;MM230608;CCC1(C)CCC(C)(C)N1;ODGGBLUFLOYWEF-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230609;MM230609;CC1(C)CCC(C)(CN)N1;HHZYBHGRVAQDIN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230610;MM230610;CCC1(C)CCC(C)(C)O1;AYNPCFBOAAIGDZ-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230611;MM230611;CCC1(C)COC(C)(C)O1;RZQSIIIDCAZQAB-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230612;MM230612;CC1(CN)COC(C)(C)O1;KAYVUCNSVRVAHA-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230613;MM230613;CC1(CO)COC(C)(C)O1;RGBAHPYNXOCIPY-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230614;MM230614;C=CC1(C)CCC(C)(C)C1;QOIVYDJZLGICQT-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230615;MM230615;CC1(C)CCC(C)(C#N)C1;MDJRAIXEIYVXME-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230616;MM230616;C=CC1(C)CCC(C)(N)C1;OFJRLBJPJFNWTI-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230617;MM230617;CNN(C=O)C1CC1(C)O;NFJULBSDYFIAON-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230618;MM230618;CC1(O)CCC(C)(C=O)C1;XZXUHEMVUCZFFT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230619;MM230619;CC1(O)CCC(C)(C#N)C1;NCDZCNJSURWRHD-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230620;MM230620;C=CC1(C)CCC(C)(F)C1;WTNOTKOBTBROIE-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230621;MM230621;CC1(F)CCC(C)(C#N)C1;ZYZSBDKFZPIDIG-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230622;MM230622;C=CC1(C)CCC(F)(F)C1;OSGPJFFNHMXHSM-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230623;MM230623;C=CC1(N)CCC(C)(C)C1;LYPONNCLFLPODR-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230624;MM230624;C=CC1(N)CCC(C)(N)C1;PAPVKURJADDLCF-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230625;MM230625;C=CC1(N)CCC(C)(O)C1;IBKUWZYEYLBLDC-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230626;MM230626;C=CC1(N)CCC(C)(F)C1;ZKDRKQWNBWRJHY-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230627;MM230627;C=CC1(N)CCC(F)(F)C1;KYDCIVKYHQTVGU-UHFFFAOYSA-N;147.17;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230628;MM230628;CC(C=O)NCC(=O)C=O;RYLURSFQFODBIE-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230629;MM230629;CC1(C)CCC(O)(C=O)C1;HBKOFLKWFTZNFT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230630;MM230630;CC1(C)CCC(O)(C#N)C1;IGTDAFIDZNDXHO-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230631;MM230631;C=CC1(O)CCC(C)(N)C1;BPPCJWTVKLNFTE-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230632;MM230632;C=CC1(O)CCC(C)(O)C1;TTYQPTIFQFRYAC-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230633;MM230633;CC1(O)CCC(O)(C#N)C1;LHSYKJDRFKWPJW-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230634;MM230634;C=CC1(O)CCC(C)(F)C1;OSPJEOBHMZLPEV-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230635;MM230635;CC1(F)CCC(O)(C#N)C1;CGQKKGMPMLCIFZ-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230636;MM230636;C=CC1(O)CCC(F)(F)C1;MBWSSOHAJBVNAF-UHFFFAOYSA-N;148.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230637;MM230637;C=CC1(F)CCC(C)(C)C1;ULUIWGGVCMVXLO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230638;MM230638;CC1(C)CCC(F)(C=O)C1;ALPLKWFDDCNLBX-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230639;MM230639;C=CC1(F)CCC(C)(N)C1;CCUSBQKJZKZWJN-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230640;MM230640;C=CC1(F)CCC(C)(O)C1;OTGTZILIACCLEW-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230641;MM230641;C=CC1(F)CCC(C)(F)C1;SFICVBSSHWMYDO-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230642;MM230642;CC1(F)CCC(F)(C#N)C1;SDPFYGOZTQRJIB-UHFFFAOYSA-N;145.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230643;MM230643;C=CC1(F)CCC(F)(F)C1;ATMZAITVRLLKQU-UHFFFAOYSA-N;150.14;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230644;MM230644;C=CC1(C)CNC(C)(C)C1;HFLHDNMOFYSBOT-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230645;MM230645;CC1(C#N)CNC(C)(C)C1;CXQFBCYKSDQGTH-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230646;MM230646;C=CC1(N)CNC(C)(C)C1;ZLCDEDLKJDLAPS-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230647;MM230647;C=CC1(O)CNC(C)(C)C1;WDXGXDPRJRPWOW-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230648;MM230648;C=CC1(F)CNC(C)(C)C1;MIXRQBHAUYUVGQ-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230649;MM230649;CC1(C)CC(F)(C=O)CN1;JPSQCDCFTHJLBF-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230650;MM230650;C=CC1(C)COC(C)(C)C1;KSZQHHUANGOGFY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230651;MM230651;CC1(C=O)COC(C)(C)C1;QLGJLPCKMKTNPU-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230652;MM230652;C=CC1(N)COC(C)(C)C1;FGNGJPOPMXIHDB-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230653;MM230653;C=CC1(O)COC(C)(C)C1;XHFNIJKGDRZHLU-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230654;MM230654;C=CC1(F)COC(C)(C)C1;FGNGTJKYARFJBN-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230655;MM230655;CC1(C)CC(F)(C=O)CO1;LBQYUYGQRYWPIU-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230656;MM230656;C=CC1(C)CC(C)(C)CN1;ZKXKCHSSJILVBX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230657;MM230657;CC1(C)CNC(C)(C=O)C1;UIRWDRGXVCTUQV-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230658;MM230658;CC1(O)CNC(C)(C=O)C1;FWKRYHJNENNVRW-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230659;MM230659;CC1(CO)NC1C(=O)C=O;HSTHYDYQMDPDQW-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230660;MM230660;C=CC1(C)CC(C)(O)CO1;FWBWBOBCNAQLBH-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230661;MM230661;CC1(O)COC(C)(C=O)C1;MVVJQEBLCXCIOB-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230662;MM230662;CC1(O)COC(C)(C#N)C1;DFGNFJCLPBIHRU-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230663;MM230663;C=CC1(C)CCC(C)(C)N1;DHJFJKPHXFXHLU-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230664;MM230664;CC1(C)CCC(C)(C=O)N1;MITXDXJTPSEYGT-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230665;MM230665;C=CC1(C)CCC(C)(C)O1;KWJFNMYLBNKIDU-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230666;MM230666;CC1(C)CCC(C)(C=O)O1;SYMQGMSXDUPQTL-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230667;MM230667;CC1(C)CCC(C)(C#N)O1;MRZKFVBNAPQRAI-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230668;MM230668;C=CC1(C)COC(C)(C)O1;OSGQZBUFWRTAAS-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230669;MM230669;CC1(C=O)COC(C)(C)O1;WFKJHDYMTVWZOY-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230670;MM230670;C#CC1(C)CCC(C)(C)C1;YQJGXSIOQXYKHH-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230671;MM230671;C#CC1(C)CCC(C)(N)C1;KECPSZOWGMDVOP-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230672;MM230672;CC1(CO)NC1C(=O)C#N;JDYZTSRFXMCFRL-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230673;MM230673;C#CC1(C)CCC(C)(F)C1;CYYHGTMYQGVTBP-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230674;MM230674;C#CC1(C)CCC(F)(F)C1;NJSJABTVTGIZKH-UHFFFAOYSA-N;144.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230675;MM230675;C#CC1(N)CCC(C)(C)C1;KECBASTXYMMELL-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230676;MM230676;C#CC1(N)CCC(C)(N)C1;WGCUFDDJCVEBDK-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230677;MM230677;C#CC1(N)CCC(C)(O)C1;NTMKUPHEPQQOLZ-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230678;MM230678;C#CC1(N)CCC(C)(F)C1;DYGXUQFTHGIKDC-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230679;MM230679;C#CC1(N)CCC(F)(F)C1;RHISBIPSAXJROF-UHFFFAOYSA-N;145.15;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230680;MM230680;C#CC1(O)CCC(C)(C)C1;GPBVFSQFCPVINT-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230681;MM230681;C#CC1(O)CCC(C)(N)C1;OOCCDIPRTCODAE-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230682;MM230682;C#CC1(O)CCC(C)(O)C1;NQSJTHDEQQELPG-UHFFFAOYSA-N;140.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230683;MM230683;C#CC1(O)CCC(C)(F)C1;KQGURTGZATWCQN-UHFFFAOYSA-N;142.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230684;MM230684;C#CC1(O)CCC(F)(F)C1;SRZAGAOZTMELNV-UHFFFAOYSA-N;146.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230685;MM230685;C#CC1(F)CCC(C)(C)C1;PEEWGAMQFFZMNP-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230686;MM230686;C#CC1(F)CCC(C)(N)C1;IKGTWSBYNKCALN-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230687;MM230687;C#CC1(F)CCC(C)(F)C1;HGXYOBWVEMQXSK-UHFFFAOYSA-N;144.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230688;MM230688;C#CC1(C)CNC(C)(C)C1;YFURSJMNXDHZOE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230689;MM230689;C#CC1(N)CNC(C)(C)C1;CLLPEUNXGJOZBU-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230690;MM230690;C#CC1(O)CNC(C)(C)C1;SYGAGDBYBSVPGD-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230691;MM230691;C#CC1(C)COC(C)(C)C1;ZOYDCWYWSRGUIT-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230692;MM230692;C#CC1(N)COC(C)(C)C1;YRBHHYPOWYTHFD-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230693;MM230693;C#CC1(O)COC(C)(C)C1;WZJMRNNWCSEMNK-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230694;MM230694;C#CC1(F)COC(C)(C)C1;DKQSYHAEMISZCE-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230695;MM230695;C#CC1(C)CC(C)(C)CN1;LKNDEKIDGNXIFE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230696;MM230696;C#CC1(C)CC(C)(N)CN1;YEIQLWIFLSKNMK-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230697;MM230697;C#CC1(C)CC(C)(O)CN1;RYBCEVBDLDMXNS-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230698;MM230698;C#CC1(C)CC(C)(C)CO1;DOOVYRYJXPWKRZ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230699;MM230699;C#CC1(C)CC(C)(N)CO1;JRBZTZLDYHLFSC-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230700;MM230700;C#CC1(C)CC(C)(O)CO1;SYKDEGMJEVVBAQ-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230701;MM230701;C#CC1(C)CCC(C)(C)N1;VFKCQOIZXNYOQR-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230702;MM230702;C#CC1(C)CCC(C)(C)O1;YXCVFYBOPKQJDK-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230703;MM230703;C#CC1(C)COC(C)(C)O1;IGTOTVQSFSXJIN-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230704;MM230704;C#CC1(C)OCC(C)(C)O1;MKSKHEATANRULK-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230705;MM230705;CCC1(C)C=CC(C)(C)C1;MJQJNUIFUUIZMS-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230706;MM230706;CC1(C)C=CC(C)(CN)C1;KJQBZZZWLPDCAC-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SN0";;;;;;;2.87;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230707;MM230707;CC1(CO)C=CN(C=O)N1;OSFZGMIZUMAETA-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230708;MM230708;CCC1(C)C=CC(C)(N)C1;DJVHYKIRIGGKSF-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230709;MM230709;CC1(N)C=CC(C)(CN)C1;BVTIFJBJHNUSAZ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230710;MM230710;C=NN(C=O)CC1(O)CC1;WZEJIVSUIDSSQO-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230711;MM230711;CCC1(C)C=CC(C)(F)C1;IOLNUWFMBUXOAO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230712;MM230712;CC1(F)C=CC(C)(CF)C1;IWKFMUBSVTXJKN-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230713;MM230713;CCC1(C)C=CC(F)(F)C1;SJGMVVLGHQJRNV-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230714;MM230714;CC1(CN)C=CC(F)(F)C1;NDSZWCVSZVVXIU-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230715;MM230715;CCC1(N)C=CC(C)(C)C1;XZAADGSKWKXINT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230716;MM230716;CC1(C)C=CC(N)(CN)C1;GBEGFYKDZCSCRW-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230717;MM230717;CC1(C)C=CC(N)(CO)C1;XMCOKSIAYPSACR-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230718;MM230718;CCC1(N)C=CC(C)(N)C1;WZTCVHDEODLQAP-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230719;MM230719;CC1(N)C=CC(N)(CN)C1;GAVUAHVWLSCNJK-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230720;MM230720;CC1(N)C=CC(N)(CO)C1;KJVJCTVLRWHBIQ-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230721;MM230721;CCC1(N)C=CC(C)(O)C1;RISLHKIFOCKKFX-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230722;MM230722;CC1(O)C=CC(N)(CN)C1;SAYIJDKQSSSSPG-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230723;MM230723;CCC1(N)C=CC(C)(F)C1;LPJGJOAKJRCEGC-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230724;MM230724;CC1(F)C=CC(N)(CF)C1;QUUYEPVIDKLJKP-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230725;MM230725;CCC1(N)C=CC(F)(F)C1;PKGISBJZVPGDDA-UHFFFAOYSA-N;147.17;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230726;MM230726;NC1(CO)C=CC(F)(F)C1;XZDCAZCMGLXHCY-UHFFFAOYSA-N;149.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230727;MM230727;CN(C=O)NC(CO)CO;GZDFESIQPVBMGB-UHFFFAOYSA-N;148.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230728;MM230728;CC1(C)C=CC(O)(CN)C1;PVYOCUREEGOTJV-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230729;MM230729;CC1(C)C=CC(O)(CO)C1;KEZLQWIMLFCRAC-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230730;MM230730;CCC1(O)C=CC(C)(N)C1;RJWGVWTYGMVMNN-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230731;MM230731;CC1(N)C=CC(O)(CN)C1;VVHJHTIZLPXTIW-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230732;MM230732;CC1(N)C=CC(O)(CO)C1;KBISNWUBFWJWIU-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230733;MM230733;CCC1(O)C=CC(C)(O)C1;APQLRADJPXPZQQ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230734;MM230734;CCC1(O)C=CC(C)(F)C1;IECAXMCFAVLPGD-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230735;MM230735;CC1(F)C=CC(O)(CN)C1;BKEZTKDTCOIKBX-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230736;MM230736;CC1(F)C=CC(O)(CO)C1;CKXCRENMGLARPJ-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230737;MM230737;CCC1(O)C=CC(F)(F)C1;AZFNZFSYNWAPLY-UHFFFAOYSA-N;148.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230738;MM230738;CCC1(F)C=CC(C)(C)C1;AFBYMJKDZUNPLB-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230739;MM230739;CC1(C)C=CC(F)(CN)C1;JMQXAIUNBOFURD-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230740;MM230740;CC1(C)C=CC(F)(CO)C1;FHCWDIWPMJTZMG-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230741;MM230741;CCC1(F)C=CC(C)(N)C1;ZWDAUPDNXPUZOJ-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230742;MM230742;CC1(N)C=CC(F)(CN)C1;VULQKNXPRANANC-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230743;MM230743;CC1(N)C=CC(F)(CO)C1;DJNCUKZXRCTVFB-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230744;MM230744;CCC1(F)C=CC(C)(O)C1;YYOITYVBQYYTIY-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230745;MM230745;CCC1(F)C=CC(C)(F)C1;LJGHQFDNNKAINK-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230746;MM230746;CC1(F)C=CC(F)(CN)C1;QSGSRCWGOQIJSZ-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230747;MM230747;CCC1(F)C=CC(F)(F)C1;LADIAKJALQUCHU-UHFFFAOYSA-N;150.14;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230748;MM230748;CNC1(C)C=CC(C)(C)C1;NXGRQEPIURVKFG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230749;MM230749;CNC1(C)C=CC(C)(N)C1;MQFWZLONGJCWHE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230750;MM230750;CNC1(C)C=CC(C)(O)C1;VELFMPMYDASSFA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230751;MM230751;CNC1(C)C=CC(C)(F)C1;RLOMHRBHUQEVOY-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230752;MM230752;CNC1(C)C=CC(F)(F)C1;HJSDFHKGBNXBRA-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230753;MM230753;COC1(C)C=CC(C)(C)C1;VIAKDOGAUQRPHK-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230754;MM230754;COC1(C)C=CC(C)(N)C1;QSXXBHCKVDERSL-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230755;MM230755;COC1(C)C=CC(C)(O)C1;YCPIXJVHCZDJGM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230756;MM230756;CCC1(C)C=CC(C)(C)N1;SZFQHEKVUWORMZ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230757;MM230757;CC1(C)C=CC(C)(CN)N1;CUWHDQBXHQRRGV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230758;MM230758;CC1(C)C=CC(C)(CO)N1;SVTNBUCFBIFGDU-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230759;MM230759;CCC1(C)C=CC(C)(C)O1;LTLZXRMRPMFEEX-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230760;MM230760;CC1(C)C=CC(C)(CN)O1;JGYWVMJHVFHTFS-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230761;MM230761;C=CC1(C)C=CC(C)(C)C1;WTRYJGXJNMPMJT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230762;MM230762;CC1(C)C=CC(C)(C=O)C1;QNDAIQLNNXCJEY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230763;MM230763;CC1(C)C=CC(C)(C#N)C1;UXXDFFJQWMCTND-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230764;MM230764;C=CC1(C)C=CC(C)(N)C1;QLFBZHYAFGVIFD-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230765;MM230765;C=NN(C)CC(C#N)CO;HEEGQDJUUBTPHT-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230766;MM230766;CC1(O)C=CC(C)(C=O)C1;IOVVVIDLPKVYSO-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230767;MM230767;CC1(O)C=CC(C)(C#N)C1;XIIQEQGXKWBBDX-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230768;MM230768;C=CC1(C)C=CC(C)(F)C1;ZYDOPQOKNJCCJC-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230769;MM230769;CC1(F)C=CC(C)(C=O)C1;QTSXDBXCIFUSPA-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230770;MM230770;CC1(F)C=CC(C)(C#N)C1;RXMSXBCZOIOVRP-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230771;MM230771;C=CC1(C)C=CC(F)(F)C1;OUNZZDKOXBTGTF-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230772;MM230772;CC1(C=O)C=CC(F)(F)C1;ASLOEAGBVMDJND-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230773;MM230773;CC1(C#N)C=CC(F)(F)C1;CJQNSWLIOQHOHX-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230774;MM230774;C=CC1(N)C=CC(C)(C)C1;ICYMFNGVDAZPDK-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230775;MM230775;C=CC1(N)C=CC(C)(N)C1;MCKZIFUYMHMVSC-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230776;MM230776;C=CC1(N)C=CC(C)(O)C1;OTOJCMAZSIAJOW-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230777;MM230777;C=CC1(N)C=CC(C)(F)C1;XRGSLCBGRWWCON-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230778;MM230778;C=CC1(N)C=CC(F)(F)C1;ZTIVQDVWCQVQKG-UHFFFAOYSA-N;145.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230779;MM230779;NN(C=O)CC1(CO)CN1;CMZNNKAZLJMAAZ-UHFFFAOYSA-N;145.16;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230780;MM230780;CC1(C)C=CC(O)(C=O)C1;XOILPGLTDOFLSP-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230781;MM230781;CC1(C)C=CC(O)(C#N)C1;PEOJZYQMNKJNAP-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230782;MM230782;C=CC1(O)C=CC(C)(N)C1;KWRFGZNKLNYIRA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230783;MM230783;C=CC1(O)C=CC(C)(O)C1;UTTHYINAWFEDOE-UHFFFAOYSA-N;140.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230784;MM230784;CC1(O)C=CC(O)(C=O)C1;YDYWKLPSKHOGPT-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230785;MM230785;CC1(O)C=CC(O)(C#N)C1;OXAMGLFFOARLRY-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230786;MM230786;C=CC1(O)C=CC(C)(F)C1;YDDTTXQNMPDMDE-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230787;MM230787;C=CC1(O)C=CC(F)(F)C1;VNZNYCBNWBPVDK-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230788;MM230788;O=CC1(O)C=CC(F)(F)C1;HGNSKPCEFHNZIT-UHFFFAOYSA-N;148.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230789;MM230789;N#CC1(O)C=CC(F)(F)C1;KXUXYRFDZWPJIC-UHFFFAOYSA-N;145.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230790;MM230790;C=CC1(F)C=CC(C)(C)C1;YMDXDWHTIIYSRV-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230791;MM230791;C=CC1(F)C=CC(C)(N)C1;MSWJGVBEYZQZPT-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230792;MM230792;C=CC1(F)C=CC(C)(O)C1;RQEKHOMEFCEQPQ-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230793;MM230793;CC1(O)C=CC(F)(C=O)C1;OEIXTICUDQKEKH-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230794;MM230794;C=CC1(F)C=CC(C)(F)C1;KPSBKQUKMQLWDP-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230795;MM230795;CC1(F)C=CC(F)(C=O)C1;MZISFVLWLDHDOH-UHFFFAOYSA-N;146.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230796;MM230796;C=CC1(F)C=CC(F)(F)C1;CMSDFZRXFPSOES-UHFFFAOYSA-N;148.13;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230797;MM230797;O=CC1(F)C=CC(F)(F)C1;KXECWORAMNLDHM-UHFFFAOYSA-N;150.1;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230798;MM230798;C=CC1(C)C=CC(C)(C)N1;JYEBFEKJMZYRNF-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230799;MM230799;CC1(C)C=CC(C)(C=O)N1;PPWHNZJDVFCDCJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230800;MM230800;CC1(C)C=CC(C)(C#N)N1;VGNQFIJNMYEEKV-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230801;MM230801;C=CC1(C)C=CC(C)(C)O1;SBGUFVOBTWZFOH-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230802;MM230802;CC1(C)C=CC(C)(C#N)O1;MWCQCBSWKSJDQO-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230803;MM230803;C#CC1(C)C=CC(C)(C)C1;HRWMZJZEHNSASC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230804;MM230804;C#CC1(C)C=CC(C)(N)C1;NMRQWHVOPOUJPF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230805;MM230805;C=CC(=O)N(N)C(=O)NC;PZFNNQACGFPHTQ-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230806;MM230806;C#CC1(C)C=CC(C)(F)C1;QSBFGMLNLNJREW-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230807;MM230807;C#CC1(C)C=CC(F)(F)C1;AVFIVKPGWKIDEW-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230808;MM230808;C#CC1(N)C=CC(C)(C)C1;KJVBZDUOSDTNOL-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230809;MM230809;C#CC1(N)C=CC(C)(N)C1;MHOYZUJRHZFBKO-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230810;MM230810;C#CC1(N)C=CC(C)(O)C1;BWCSNBNNQMRBSS-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230811;MM230811;C#CC1(N)C=CC(C)(F)C1;YQQDRTPTCKEFAQ-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230812;MM230812;C#CC1(N)C=CC(F)(F)C1;PODCXHNTJNLWPO-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230813;MM230813;C#CC1(O)C=CC(C)(C)C1;POGVPKUYRFDFQB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230814;MM230814;C#CC1(O)C=CC(C)(N)C1;OWYXWINVPNUWCZ-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230815;MM230815;C#CC1(O)C=CC(C)(O)C1;LABCAINYPJHQOB-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230816;MM230816;C#CC1(O)C=CC(C)(F)C1;QFMOCOPBXCEXKI-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230817;MM230817;C#CC1(O)C=CC(F)(F)C1;LLVKTPVTLMKXHO-UHFFFAOYSA-N;144.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230818;MM230818;C#CC1(F)C=CC(C)(C)C1;DBZAPPLFQFICBC-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230819;MM230819;C#CC1(F)C=CC(C)(N)C1;BZXZRKFNIMXQRG-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230820;MM230820;C#CC1(C)C=CC(C)(C)N1;YRAANAZQMBGWBR-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230821;MM230821;C#CC1(C)C=CC(C)(C)O1;FVYUHMNNZXZKDV-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230822;MM230822;CCC(C)(C)CC1(C)CC1;LQTYMOGZTHKVKM-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230823;MM230823;CC(C)(CN)CC1(C)CC1;DTJRQLOLEOFVJV-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230824;MM230824;C=NN(CCO)C(=O)NC;JUVDLWDJNDCUFN-UHFFFAOYSA-N;145.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230825;MM230825;CCC(C)(N)CC1(C)CC1;HITYPANABUNKNG-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230826;MM230826;CC(N)(CN)CC1(C)CC1;VIFFJNOQTNGGIQ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230827;MM230827;CC#CC(CO)N(N)C=O;YDBKZXQPPROUGQ-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230828;MM230828;CC(O)(CN)CC1(C)CC1;PDDCHQMMECJXEF-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230829;MM230829;CC(O)(CO)CC1(C)CC1;OQJMWBLWODUUGH-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230830;MM230830;CCC(C)(F)CC1(C)CC1;CESTZYKDYCWQFT-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230831;MM230831;CCC(F)(F)CC1(C)CC1;MONTXRCNJHFFBR-UHFFFAOYSA-N;148.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230832;MM230832;CCC(C)(C)CC1(N)CC1;BTDQFTKOHHNVSJ-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230833;MM230833;CC(C)(CN)CC1(N)CC1;ZLUQJKFDBCZXNU-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230834;MM230834;CC(C)(CO)CC1(N)CC1;XNPCRMZDXMWBBI-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230835;MM230835;CCC(C)(N)CC1(N)CC1;MSSXKKBZPJPYIR-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230836;MM230836;CC(N)(CN)CC1(N)CC1;XGFQNLCONYFARM-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230837;MM230837;CC(N)(CF)CC1(N)CC1;BEXFBQYDVMVGHT-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230838;MM230838;CCC(C)(O)CC1(N)CC1;PVYYOZPLGGUJJW-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230839;MM230839;CCC(C)(F)CC1(N)CC1;ALWKJMQWTJOAQU-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230840;MM230840;CC(F)(CO)CC1(N)CC1;HAEQCTXXYAOJDU-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230841;MM230841;CCC(F)(F)CC1(N)CC1;CKRQESCCCRNPAL-UHFFFAOYSA-N;149.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230842;MM230842;CON=C(NO)NCCO;NCMZUQLTKZWVTB-UHFFFAOYSA-N;149.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230843;MM230843;CC(C)(CN)CC1(O)CC1;CVFYZYXPOSWHKR-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230844;MM230844;CC(C)(CO)CC1(O)CC1;SSIKDDQVPSVYRZ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230845;MM230845;CCC(C)(N)CC1(O)CC1;JTGKORQXCYPQHL-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230846;MM230846;CC(N)(CN)CC1(O)CC1;KKMKBSWORJJQEZ-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230847;MM230847;CC(N)(CF)CC1(O)CC1;JOLYPLUHMJVHKW-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230848;MM230848;CCC(C)(O)CC1(O)CC1;FEUWJHBQFVDLIE-UHFFFAOYSA-N;144.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230849;MM230849;CC(O)(CN)CC1(O)CC1;OKWBMYJVDXCIGW-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230850;MM230850;CCC(C)(F)CC1(O)CC1;MCTOUZLGZNWQSN-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230851;MM230851;CC(F)(CN)CC1(O)CC1;VJJMDLXZCPRPKD-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230852;MM230852;CCC(F)(F)CC1(O)CC1;QJSKKQHLISBPEM-UHFFFAOYSA-N;150.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230853;MM230853;CCC(C)(C)CC1(F)CC1;JWOWLEVDSLHBST-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230854;MM230854;CC(C)(CN)CC1(F)CC1;COQFXFNVJUVESJ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230855;MM230855;CCC(C)(N)CC1(F)CC1;NBPHBFZPGXKHGE-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230856;MM230856;CC(N)(CN)CC1(F)CC1;YPAQEIZMPHCEGO-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230857;MM230857;CC(N)(CO)CC1(F)CC1;UOHVRKDURKPMQI-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230858;MM230858;CC(N)(CF)CC1(F)CC1;XKQYWZUSSRBPCE-UHFFFAOYSA-N;149.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230859;MM230859;CCC(C)(O)CC1(F)CC1;XTJYGXBAKVNAPS-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230860;MM230860;CC(O)(CN)CC1(F)CC1;MTXKEIWQXYRMFE-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230861;MM230861;CCC(C)(F)CC1(F)CC1;ILTPOCSVJLCPSC-UHFFFAOYSA-N;148.2;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230862;MM230862;CCC(F)(F)CC1(F)CC1;XKSYPGLMNFVHLZ-UHFFFAOYSA-N;152.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230863;MM230863;CNC(C)(C)CC1(C)CC1;CWAHJTSQBQXQBC-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230864;MM230864;CNC(C)(C)CC1(N)CC1;BXQWAJIEDMMEPJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230865;MM230865;CNC(C)(C)CC1(O)CC1;RDFNTLOSQAPYNE-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230866;MM230866;CNC(C)(C)CC1(F)CC1;AUYMITWTUFIIQU-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230867;MM230867;COC(C)(C)CC1(C)CC1;KBUFWVJKWZEORM-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230868;MM230868;COC(C)(C)CC1(N)CC1;ZXKYBARNBGHIET-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230869;MM230869;COC(C)(C)CC1(O)CC1;CTKCWMFUDOJQMV-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230870;MM230870;COC(C)(C)CC1(F)CC1;ZVBATZYBLNWCEJ-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230871;MM230871;CCC(C)(C)NC1(C)CC1;BBBJXYZNHSBPDR-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230872;MM230872;CC(C)(CN)NC1(C)CC1;MIYFTXFITCGLLI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230873;MM230873;CC(C)(CO)NC1(C)CC1;SLKHTANVQMZWEL-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230874;MM230874;CCC(C)(C)OC1(C)CC1;FNWOOLQBOVAPHC-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230875;MM230875;CC(C)(CN)OC1(C)CC1;IBSJTKFQVGTUND-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230876;MM230876;CC(C)(CO)OC1(C)CC1;SRCVCWMJDDJJNT-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230877;MM230877;COC(C)(C)OC1(C)CC1;BOQZBXCMJLFLOO-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230878;MM230878;CC(C)(CN)CC1(C)CN1;ZZMSYUIGYMRSHW-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230879;MM230879;CCC(C)(N)CC1(C)CN1;HYDLDORWVYBFKJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230880;MM230880;CC(N)(CN)CC1(C)CN1;SJYGKHJZCPDYNW-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230881;MM230881;CC(N)(CO)CC1(C)CN1;BPZVDQTUJCCSQK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230882;MM230882;CC(N)(CF)CC1(C)CN1;DYBFXCLRLIVRCE-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230883;MM230883;CC(O)(CN)CC1(C)CN1;FIFIPRSREYEIEC-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230884;MM230884;CNC(C)(C)CC1(C)CN1;LCGWRHXKALYKPG-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230885;MM230885;CCC(C)(C)CC1(C)CO1;CFUSADRNVKTODB-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230886;MM230886;CC(C)(CN)CC1(C)CO1;DDOCAMOWUZCDRI-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230887;MM230887;CC(C)(CO)CC1(C)CO1;PQNAYJOGRUMZNS-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230888;MM230888;CCC(C)(N)CC1(C)CO1;WDUFGMMKKBFVNO-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230889;MM230889;CC(N)(CN)CC1(C)CO1;UGRKMIFIUWRSHD-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230890;MM230890;CC(N)(CF)CC1(C)CO1;ZJQNAQFVMSQQGD-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230891;MM230891;CCC(C)(O)CC1(C)CO1;PSVSWAJPMFDFKS-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230892;MM230892;CCC(C)(F)CC1(C)CO1;RHYXLWWASUVYNQ-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230893;MM230893;CC(F)(CO)CC1(C)CO1;WYURFOYIABGAMW-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230894;MM230894;CCC(F)(F)CC1(C)CO1;KLNQYUOJNVUIMM-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230895;MM230895;CNC(C)(C)CC1(C)CO1;PATMATMQAHNCSJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230896;MM230896;COC(C)(C)CC1(C)CO1;OEHVELJJTGDKSV-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230897;MM230897;CC(C)(C)CCC1(C)CC1;WVCYNQXSOFDWBE-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230898;MM230898;CC(C)(N)CCC1(C)CC1;KCNVWFGEJOYEDM-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230899;MM230899;Nn1nnc(=O)cc1CO;AENGMRMGXLYTKX-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230900;MM230900;CC(C)(F)CCC1(C)CC1;RDCNTWCZSHEKLA-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230901;MM230901;CC(C)(C)CCC1(N)CC1;GCHPPGQQVAZGQB-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230902;MM230902;CC(C)(N)CCC1(N)CC1;AAMFDUKQNVQLCT-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230903;MM230903;CC(C)(O)CCC1(N)CC1;SNBXRQJMCYTKSM-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230904;MM230904;CC(C)(F)CCC1(N)CC1;MNRWGIMNWATIHN-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230905;MM230905;N#CC(CO)CNCCF;VFSPGTAGXIZBNM-UHFFFAOYSA-N;146.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230906;MM230906;CC(C)(N)CCC1(O)CC1;QMSWBXLNGBRMKI-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230907;MM230907;CC(C)(O)CCC1(O)CC1;HLSHTRGZOMWHLJ-UHFFFAOYSA-N;144.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230908;MM230908;OC1(CCC(F)(F)F)CC1;WHVOWXOPHGOZCV-UHFFFAOYSA-N;154.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230909;MM230909;CC(C)(C)CCC1(F)CC1;FUBXRKDOUPRXAG-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230910;MM230910;CC(C)(N)CCC1(F)CC1;UAAUXZDNEHKJCI-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230911;MM230911;CC(C)(O)CCC1(F)CC1;UYMYPLADLXTLMW-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230912;MM230912;CC(C)(F)CCC1(F)CC1;CHJPNHBTYIRDBY-UHFFFAOYSA-N;148.2;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230913;MM230913;FC(F)(F)CCC1(F)CC1;QZGHZALNAJXGBB-UHFFFAOYSA-N;156.12;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230914;MM230914;CC1(CNC(C)(C)C)CC1;QMMUXZKXYWTFFP-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230915;MM230915;CC(C)(C)NCC1(N)CC1;DMHQEEMQQHDQHT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230916;MM230916;CC(C)(C)NCC1(O)CC1;YLFHABFQOZEPBB-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230917;MM230917;CC(C)(C)NCC1(F)CC1;JKVNKPADVIWZNL-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230918;MM230918;CC1(COC(C)(C)C)CC1;OWKGUOVHEJMZSS-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230919;MM230919;CC(C)(C)OCC1(N)CC1;DAHIKIQMSFFDBM-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230920;MM230920;CC(C)(C)OCC1(O)CC1;KHIFPNQATBGTQR-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230921;MM230921;CC(C)(C)OCC1(F)CC1;BLPWUZAECCGWCL-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230922;MM230922;CC(C)(C)CNC1(C)CC1;CREKWUSBBFRGJN-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230923;MM230923;CC(C)(N)CNC1(C)CC1;CCLCQNHWWMUBCF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230924;MM230924;CC(C)(O)CNC1(C)CC1;HWXLEGSAOOMYOY-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230925;MM230925;CC(C)(F)CNC1(C)CC1;YWNDARUBQMZGIG-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230926;MM230926;CC(C)(C)COC1(C)CC1;CARBGACJCNBVKW-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230927;MM230927;CC(C)(N)COC1(C)CC1;IDRMBUYSNAQXKO-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230928;MM230928;CC(C)(N)CCC1(C)CN1;JBWOFJQOWSMCFX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230929;MM230929;CC(C)(C)NCC1(C)CN1;FZBSUAZMCJAYRV-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230930;MM230930;CC(C)(C)CCC1(C)CO1;GIMFWOIMOPZQMQ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230931;MM230931;CC(C)(N)CCC1(C)CO1;RRFSPWYXMFXTSE-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230932;MM230932;CC(C)(O)CCC1(C)CO1;QLIPCEKZFRGDJE-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230933;MM230933;CC(C)(C)OCC1(C)CO1;RHKIHYUHXQVNNL-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230934;MM230934;CCC1(CC)CC(C)(C)C1;RTYKQSGJDBIABK-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230935;MM230935;CCC1(CN)CC(C)(C)C1;UPUUNDZTVCDWND-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230936;MM230936;N#CC(CO)CNCC=O;APNVCQLGHUPYHX-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230937;MM230937;CCC1(CF)CC(C)(C)C1;GHUWFKIBWAAZCZ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230938;MM230938;CC1(C)CC(CN)(CN)C1;FALOKPFYZCRDIM-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230939;MM230939;CC1(C)CC(CN)(CO)C1;KVXAUCCBQXOOPV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230940;MM230940;CC1(C)CC(CO)(CO)C1;HQDKICWIYBCXTB-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230941;MM230941;CCC1(CC)CC(C)(N)C1;NAJJCSWQQZZHCK-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230942;MM230942;CCC1(CN)CC(C)(N)C1;YZUFJLYQGXBHIZ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230943;MM230943;CCC1(CO)CC(C)(N)C1;ISEMRJOFCUQAHB-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230944;MM230944;CC1(N)CC(CN)(CN)C1;GVGAIVZSCULCTJ-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230945;MM230945;CC1(N)CC(CN)(CO)C1;ZUVANCBWGUKFBQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230946;MM230946;N#CCNCC(C#N)CO;MCEVXCMWNHWZSE-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230947;MM230947;CCC1(CN)CC(C)(O)C1;AFBPQTLMEKURIM-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230948;MM230948;CCC1(CO)CC(C)(O)C1;MVSGELJSMFMCLQ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230949;MM230949;CC1(O)CC(CN)(CN)C1;WSSDTXKFXZVXCQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230950;MM230950;CCC1(CC)CC(C)(F)C1;POAOZYWKHNSWPM-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230951;MM230951;CCC1(CN)CC(C)(F)C1;AIFFDRNIRFYKAG-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230952;MM230952;CCC1(CF)CC(C)(F)C1;PFCRBRPASKZXSD-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230953;MM230953;CC1(F)CC(CO)(CO)C1;BPAPXPZVBHLKOI-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230954;MM230954;CCC1(CC)CC(F)(F)C1;YRPAFGGZWJXBEF-UHFFFAOYSA-N;148.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230955;MM230955;CCC1(CO)CC(F)(F)C1;UJRDIWRFCILAPM-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230956;MM230956;NCC1(CN)CC(F)(F)C1;LYNHTUVDJCWCJB-UHFFFAOYSA-N;150.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230957;MM230957;CCC1(NC)CC(C)(C)C1;BGOVGUXAXKPVNV-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230958;MM230958;CNC1(CN)CC(C)(C)C1;ZWVJOKWKCAUMFD-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230959;MM230959;CCC1(NC)CC(C)(N)C1;LBSJBCCDKMEGFO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230960;MM230960;CNC1(CN)CC(C)(N)C1;ZTZRONIPXKAKGY-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230961;MM230961;CCC1(NC)CC(C)(O)C1;LDBCZNSOCVHNNR-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230962;MM230962;CNC1(CN)CC(C)(O)C1;NBJAXXYLHYENAK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230963;MM230963;CNC1(CO)CC(C)(O)C1;HIOOGJUJNSWKHM-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230964;MM230964;CCC1(NC)CC(C)(F)C1;IQYYSGDSQNUGMR-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230965;MM230965;CNC1(CN)CC(C)(F)C1;QKIGJCRESZZKTI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230966;MM230966;CNC1(CO)CC(C)(F)C1;PGMCPBPVSFHTKR-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230967;MM230967;CCC1(NC)CC(F)(F)C1;DFYRYZLPUYLVSH-UHFFFAOYSA-N;149.18;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230968;MM230968;CNC1(CN)CC(F)(F)C1;ZFTWEHMNIQPLQM-UHFFFAOYSA-N;150.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230969;MM230969;CCC1(OC)CC(C)(C)C1;HFIKVKOIZRRPTL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230970;MM230970;COC1(CN)CC(C)(C)C1;IAWOWKWVXQYWIK-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230971;MM230971;COC1(CO)CC(C)(C)C1;FTCPCBLFJWWAIX-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230972;MM230972;CCC1(OC)CC(C)(N)C1;OXETVKKAISOZTL-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230973;MM230973;COC1(CN)CC(C)(N)C1;CRJQNFXWOUQXCP-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230974;MM230974;COC1(CO)CC(C)(N)C1;ITPYSAUDBIYGLM-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230975;MM230975;CCC1(OC)CC(C)(O)C1;DVFOELJBZMJLIO-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230976;MM230976;COC1(CN)CC(C)(O)C1;JEFSLIFTTWZUIQ-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230977;MM230977;CCC1(OC)CC(C)(F)C1;ZFBWEBZHCKCGTD-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230978;MM230978;COC1(CN)CC(C)(F)C1;QPIYLOFMOMATBY-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230979;MM230979;COC1(OC)CC(C)(N)C1;QXRHBKGUWAVIPX-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230980;MM230980;CCC1(CC)CC(C)(C)N1;AZXWIZHRFABZOB-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230981;MM230981;CCC1(CN)CC(C)(C)N1;WDZQDSWDIJDEAW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230982;MM230982;CCC1(CO)CC(C)(C)N1;WUJDKOPNLUOUDA-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230983;MM230983;CC1(C)CC(CN)(CN)N1;MAPKRABJLFAAKY-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230984;MM230984;CC1(C)CC(CN)(CO)N1;FSLADMDSLUWTHY-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230985;MM230985;CCC1(CC)CC(C)(C)O1;YJOZIBBBGSJHDH-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230986;MM230986;CC1(C)CC(CN)(CN)O1;HCRHCEJGHPLLMF-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230987;MM230987;CC1(C)CC(CN)(CO)O1;WMIIOOHOCPPFLD-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230988;MM230988;C=CC1(CC)CC(C)(C)C1;MEFAUPMMJJSLNV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230989;MM230989;CCC1(C=O)CC(C)(C)C1;LDWCWPIKTGCSDY-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230990;MM230990;CCC1(C#N)CC(C)(C)C1;RAYGIQARPFTTTP-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230991;MM230991;C=CC1(CN)CC(C)(C)C1;KXESNUQVNCTHCZ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230992;MM230992;CC=NNCC(C#N)CO;WEVGBQKJRFFDQK-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230993;MM230993;CC1(C)CC(C=O)(CO)C1;VSKDGBFXAFVUOH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230994;MM230994;CC1(C)CC(C#N)(CO)C1;SFYVOZCOLBKPGB-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230995;MM230995;C=CC1(CF)CC(C)(C)C1;JFXVTERDXSJOIL-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230996;MM230996;C=CC1(CC)CC(C)(N)C1;LMBKYZJQEMAURO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230997;MM230997;C=CC1(CN)CC(C)(N)C1;QXCNLQNYBZCPAL-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230998;MM230998;C=CC1(CO)CC(C)(N)C1;MVBUQXDXWJHKCG-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM230999;MM230999;NN=CN(N)C(=CF)CO;OJOIJYRIAXIXTI-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231000;MM231000;CCC1(C=O)CC(C)(O)C1;JTJZZLTYCWPAFD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231001;MM231001;CCC1(C#N)CC(C)(O)C1;DKHDTLDSOLRMKP-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231002;MM231002;C=CC1(CN)CC(C)(O)C1;ZDQCYDUFLPVLHQ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231003;MM231003;CC1(O)CC(C#N)(CO)C1;LLLRIKMMKCFZMG-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231004;MM231004;CC1(O)CC(C#N)(CF)C1;DITGTLXHHWYDSW-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231005;MM231005;C=CC1(CC)CC(C)(F)C1;YSJFPDKBFFDCGP-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231006;MM231006;CCC1(C=O)CC(C)(F)C1;MYGLQPIEECGTHS-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231007;MM231007;CCC1(C#N)CC(C)(F)C1;CHHFGGGFRQUFST-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231008;MM231008;C=CC1(CN)CC(C)(F)C1;MXTUVACAFVOJFS-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231009;MM231009;CC1(F)CC(C=O)(CO)C1;QTZRGSHVKMNLKU-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231010;MM231010;C=CC1(CC)CC(F)(F)C1;PTMFXHKAHGKGKC-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231011;MM231011;CCC1(C=O)CC(F)(F)C1;UXISAZVXGPWHQY-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231012;MM231012;CCC1(C#N)CC(F)(F)C1;HXFNCIAFKVXENZ-UHFFFAOYSA-N;145.15;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231013;MM231013;C=CC1(CN)CC(F)(F)C1;NXRAMJLTBAJEDZ-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231014;MM231014;O=CC1(CO)CC(F)(F)C1;AGUYSRMZKMRXBW-UHFFFAOYSA-N;150.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231015;MM231015;N#CC1(CO)CC(F)(F)C1;LBHPFCSDSGLLRH-UHFFFAOYSA-N;147.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231016;MM231016;C=CC1(NC)CC(C)(C)C1;DUOSWTHZRDETNB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231017;MM231017;CNC1(C=O)CC(C)(C)C1;UKKINKIXONDQLL-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231018;MM231018;CNC1(C#N)CC(C)(C)C1;DMAOSZISZHGLHL-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231019;MM231019;C=CC1(NC)CC(C)(O)C1;OFWMFUQPSDMXAL-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231020;MM231020;N#CCNCC1(CO)CN1;PMQOBJUQNLZRFD-UHFFFAOYSA-N;141.17;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231021;MM231021;C=CC1(NC)CC(C)(F)C1;IIYUKGKWVUZIBS-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231022;MM231022;CNC1(C#N)CC(C)(F)C1;IJTCFXCNGSVWDX-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231023;MM231023;C=CC1(NC)CC(F)(F)C1;FKSZBCQHSBZXME-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231024;MM231024;CNC1(C#N)CC(F)(F)C1;FZTSXFKVJOJBTI-UHFFFAOYSA-N;146.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231025;MM231025;C=CC1(OC)CC(C)(C)C1;BFIGGOOQEQSROJ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231026;MM231026;COC1(C=O)CC(C)(C)C1;HYZOOGINTKVLEO-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231027;MM231027;COC1(C#N)CC(C)(C)C1;UMCHNDOSBHIMSN-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231028;MM231028;C=CC1(OC)CC(C)(N)C1;FHMXUYUHTKDERU-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231029;MM231029;C=CC1(OC)CC(C)(O)C1;PFJMVCSKYPHGCG-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231030;MM231030;COC1(C=O)CC(C)(O)C1;PCFBNOBLKINXLN-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231031;MM231031;COC1(C#N)CC(C)(O)C1;FSCSTSJUSNXYEJ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231032;MM231032;C=CC1(OC)CC(C)(F)C1;PTYOXMCKWAQEMV-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231033;MM231033;COC1(C#N)CC(C)(F)C1;AYAXTYQZQDPUFW-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231034;MM231034;C=CC1(OC)CC(F)(F)C1;OGXFNVXFYPVUKI-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231035;MM231035;COC1(C#N)CC(F)(F)C1;MHYBJYVXLCNHAD-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231036;MM231036;C=CC1(CC)CC(C)(C)N1;OKUJUXHDMTYOCX-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231037;MM231037;CCC1(C=O)CC(C)(C)N1;NXVMLKAJOPQUMB-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231038;MM231038;C=CC1(CN)CC(C)(C)N1;WTOHWIWNIKPEJK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231039;MM231039;CC=NNCC1(CO)CN1;CEMGBCHESGISDV-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231040;MM231040;C=CC1(CC)CC(C)(C)O1;RIMIKZGFPBMYMP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231041;MM231041;CCC1(C=O)CC(C)(C)O1;CHLHPXYHPRGJGK-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231042;MM231042;CCC1(C#N)CC(C)(C)O1;BSHKSXPKFORAIK-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231043;MM231043;C=CC1(CN)CC(C)(C)O1;NKKJCEZWQGJZNB-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231044;MM231044;C=CC1(CO)CC(C)(C)O1;ZJPNRWVFXXHHHY-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231045;MM231045;CC1(C)CC(C#N)(CO)O1;NDNJWNACXNBPQC-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231046;MM231046;C#CC1(CC)CC(C)(C)C1;BDVUJXDEMSBZAW-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231047;MM231047;C#CC1(CN)CC(C)(C)C1;LDYYUWDPWNQEAK-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231048;MM231048;CC1CN1CC(C#N)CO;WFTPZMWXYDLIMD-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231049;MM231049;C#CC1(CC)CC(C)(N)C1;HJQOSHIAJGVIPB-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231050;MM231050;C#CC1(CN)CC(C)(N)C1;UMBAETASEVYCEL-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231051;MM231051;C#CC1(CO)CC(C)(N)C1;QOGVDDKAYMXYCZ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231052;MM231052;C#CC1(CF)CC(C)(N)C1;WQRWDUXZYWMMAH-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231053;MM231053;CCNc1c[nH]c(CO)c1;JZOUTSMRWBPABR-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231054;MM231054;C#CC1(CN)CC(C)(O)C1;MYDSXGMYCYPOJZ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231055;MM231055;C#CC1(CO)CC(C)(O)C1;RJXRWNLNLUDFHX-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231056;MM231056;C#CC1(CF)CC(C)(O)C1;SJMOUDVTFWLQHG-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231057;MM231057;C#CC1(CC)CC(C)(F)C1;SPECTYOYVZUXIK-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231058;MM231058;C#CC1(CN)CC(C)(F)C1;SNJWOWMOCAZOAW-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231059;MM231059;C#CC1(CO)CC(C)(F)C1;YOBBPBWKLHAWJW-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231060;MM231060;C#CC1(CF)CC(C)(F)C1;MEEXRTCYZNVOHK-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231061;MM231061;C#CC1(CC)CC(F)(F)C1;PKYJCFBHVIWRPF-UHFFFAOYSA-N;144.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231062;MM231062;C#CC1(CN)CC(F)(F)C1;BHIKWSJGXGYGBS-UHFFFAOYSA-N;145.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231063;MM231063;C#CC1(CO)CC(F)(F)C1;IUVJHOAXVRVZIN-UHFFFAOYSA-N;146.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231064;MM231064;C#CC1(NC)CC(C)(C)C1;CJYQCBLCMMMWOQ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231065;MM231065;C#CC1(NC)CC(C)(N)C1;XXSAQRQKYFMDOM-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231066;MM231066;C#CC1(NC)CC(C)(O)C1;LROKMHDNZGAQOZ-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231067;MM231067;C#CC1(NC)CC(C)(F)C1;ZCZVIUPWHSRYKP-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231068;MM231068;C#CC1(OC)CC(C)(C)C1;DEIZZGNNUSASSA-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231069;MM231069;C#CC1(OC)CC(C)(N)C1;FCXXARGLXAIKPY-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231070;MM231070;C#CC1(OC)CC(C)(O)C1;JHIOKCMKLYDYSE-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231071;MM231071;C#CC1(OC)CC(C)(F)C1;AFTSWPJJQUUDOF-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231072;MM231072;C#CC1(OC)CC(F)(F)C1;MYQLJAGOAKZYIS-UHFFFAOYSA-N;146.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231073;MM231073;C#CC1(CC)CC(C)(C)N1;WZBBFUZNKGRKQF-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231074;MM231074;C#CC1(CN)CC(C)(C)N1;DTEAYXRDVQZANI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231075;MM231075;C#CC1(CO)CC(C)(C)N1;ZYZPMAOGIJSRIY-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231076;MM231076;C#CC1(CC)CC(C)(C)O1;YPNICPBLFNOARM-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231077;MM231077;C#CC1(CN)CC(C)(C)O1;AZVZXFMITHQZJW-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231078;MM231078;C#CC1(CO)CC(C)(C)O1;KDOZUYCWRRGUIZ-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231079;MM231079;C=CC1(C=C)CC(C)(C)C1;GXDZOMGMJXNBPA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231080;MM231080;C=CC1(C=O)CC(C)(C)C1;ZBNYSKYXGIAUSU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231081;MM231081;C=CC1(C#N)CC(C)(C)C1;UCYNWYKWTYFXRL-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231082;MM231082;CC1(C)CC(C=O)(C=O)C1;CLZSHHRIYCHRKC-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231083;MM231083;CC1(C)CC(C#N)(C=O)C1;AOUHHVOFROZTQF-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231084;MM231084;CC1(C)CC(C#N)(C#N)C1;QMDHJGXEJNZTGB-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231085;MM231085;C=CC1(C=C)CC(C)(N)C1;WQQPNCMNYRYWRS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231086;MM231086;CCNC1=CC(=NN)OC1;YRYXLXDCCKONCM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231087;MM231087;C=CC1(C=O)CC(C)(O)C1;PHXBHJQEOXDRJR-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231088;MM231088;C=CC1(C#N)CC(C)(O)C1;JUIZNTSQBAEADI-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231089;MM231089;CC1(O)CC(C=O)(C=O)C1;FJKXAKUVVFAYBX-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231090;MM231090;CC1(O)CC(C#N)(C=O)C1;PKWCPDXAYMQPQR-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231091;MM231091;CC1(O)CC(C#N)(C#N)C1;UFNIPKORCRTKSI-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231092;MM231092;C=CC1(C=C)CC(C)(F)C1;GNDYBTIHMDYYFK-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231093;MM231093;C=CC1(C=O)CC(C)(F)C1;LTCOBHUVNVGIEW-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231094;MM231094;C=CC1(C#N)CC(C)(F)C1;VJTXRGNBCJMDER-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231095;MM231095;CC1(F)CC(C=O)(C=O)C1;OPALHNKXDXDBDD-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231096;MM231096;CC1(F)CC(C#N)(C=O)C1;AIGYHWIDXUCBAY-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231097;MM231097;CC1(F)CC(C#N)(C#N)C1;CZZCLGJCLJWJRK-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231098;MM231098;C=CC1(C=C)CC(F)(F)C1;BSQGOCGBFGNXRW-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231099;MM231099;C=CC1(C=O)CC(F)(F)C1;NLODWQMPGLRKPT-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231100;MM231100;C=CC1(C#N)CC(F)(F)C1;QRNXGRZEHYASFU-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231101;MM231101;O=CC1(C=O)CC(F)(F)C1;VOFWDESBHQFHGX-UHFFFAOYSA-N;148.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231102;MM231102;N#CC1(C=O)CC(F)(F)C1;ZCWDVPANOFVFFJ-UHFFFAOYSA-N;145.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231103;MM231103;N#CC1(C#N)CC(F)(F)C1;CNJBDWSOKKLOOJ-UHFFFAOYSA-N;142.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231104;MM231104;C=CC1(C=C)CC(C)(C)N1;IIGRXUUILUBXPU-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231105;MM231105;C=CC1(C#N)CC(C)(C)N1;MYUPXFFAEBTXKE-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231106;MM231106;CC1(C)CC(C#N)(C=O)N1;QBCRDGPAKKTNGQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231107;MM231107;CC1(C)CC(C#N)(C#N)N1;NJWKCKIFZZWLPT-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231108;MM231108;C=CC1(C=C)CC(C)(C)O1;IROLARVOMCVITR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231109;MM231109;C=CC1(C=O)CC(C)(C)O1;MRNNSSWOWPMMLJ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231110;MM231110;C=CC1(C#N)CC(C)(C)O1;ZWCCXJNKKGEBDW-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231111;MM231111;CC1(C)CC(C#N)(C=O)O1;NPAWJCVUYOWEQK-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231112;MM231112;CC1(C)CC(C#N)(C#N)O1;HDUHICNQJNLRDP-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231113;MM231113;C#CC1(C=C)CC(C)(C)C1;JAZXHHAVTQENJZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231114;MM231114;C#CC1(C=O)CC(C)(C)C1;UMEUPZBSANSVSW-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231115;MM231115;C#CC1(C#N)CC(C)(C)C1;RPQMAFOJYZGNCU-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231116;MM231116;C#CC1(C=C)CC(C)(N)C1;LWQCMHZQCMUDQR-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231117;MM231117;COC1=CC2NC2(CO)C1;NUTULPOPTPJNPA-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231118;MM231118;C#CC1(C=O)CC(C)(O)C1;KTUHAGFRVORUIR-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231119;MM231119;C#CC1(C#N)CC(C)(O)C1;GQEQWUNYXWEIQY-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231120;MM231120;C#CC1(C=C)CC(C)(F)C1;RHXGTYXUUIQBJE-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231121;MM231121;C#CC1(C=O)CC(C)(F)C1;XUIHTRCTMXWYFD-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231122;MM231122;C#CC1(C#N)CC(C)(F)C1;YQUOXDNNZMULRJ-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231123;MM231123;C#CC1(C=C)CC(F)(F)C1;PBGVSZJCNBRQJM-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231124;MM231124;C#CC1(C=O)CC(F)(F)C1;MBIHQCYTDPKKSX-UHFFFAOYSA-N;144.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231125;MM231125;C#CC1(C#N)CC(F)(F)C1;JRDYVPADJIHWPD-UHFFFAOYSA-N;141.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231126;MM231126;C#CC1(C=C)CC(C)(C)N1;PSSLMFMRSANVRI-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231127;MM231127;C#CC1(C#N)CC(C)(C)N1;DCAKZWLBJMOSSW-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231128;MM231128;C#CC1(C=C)CC(C)(C)O1;PGVBPFJPMWEOQY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231129;MM231129;C#CC1(C=O)CC(C)(C)O1;LKXVFJFZIUQFGJ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231130;MM231130;C#CC1(C#N)CC(C)(C)O1;OFOQYNMVHTYLRX-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231131;MM231131;C#CC1(C#C)CC(C)(C)C1;WZNXERORARHGJW-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231132;MM231132;C#CC1(C#C)CC(C)(N)C1;PJDZANZSGDLBJG-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231133;MM231133;C=C1CC2(CO)NC2C1=O;CCWVVBUYDGBZCT-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231134;MM231134;C#CC1(C#C)CC(C)(F)C1;JPEZZSNJMXYUKZ-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231135;MM231135;C#CC1(C#C)CC(F)(F)C1;YRGNMTVIFZINHH-UHFFFAOYSA-N;140.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231136;MM231136;C#CC1(C#C)CC(C)(C)O1;NXIOPCNBGZWVFW-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231137;MM231137;CCC1(CC(C)(C)C)CC1;VKRVCDBIYJYBIG-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231138;MM231138;CC(C)(C)CC1(CN)CC1;SFOOUGDWMBAUKS-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231139;MM231139;CC(C)(C)CC1(CF)CC1;FQHWUUXXQZYQBO-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231140;MM231140;CCC1(CC(C)(C)N)CC1;KHARVZJWVOCDGU-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231141;MM231141;CC(C)(N)CC1(CN)CC1;VLKJDPAGVHTZBP-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231142;MM231142;CC(C)(N)CC1(CO)CC1;YPYVVDMINVCVFN-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231143;MM231143;C=NNC1CC1(C)O;OFKOKPXORHDTAI-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231144;MM231144;CC(C)(O)CC1(CN)CC1;ZPEJSFKUKWHQJY-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231145;MM231145;CC(C)(O)CC1(CO)CC1;WEMWUPMMJPWQJC-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231146;MM231146;CC(C)(O)CC1(CF)CC1;VHGOXDJXVWGTBF-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231147;MM231147;CCC1(CC(C)(C)F)CC1;JAKRXZDMMVVPKO-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231148;MM231148;CC(C)(F)CC1(CN)CC1;ZMGOQHBOGSURHD-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231149;MM231149;CCC1(CC(C)(F)F)CC1;KYWMFBHTVIHHFZ-UHFFFAOYSA-N;148.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231150;MM231150;CC(F)(F)CC1(CN)CC1;OLFLTUZDVLKHPU-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231151;MM231151;CC(F)(F)CC1(CO)CC1;TWGGGXBJNWIDJI-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231152;MM231152;CC(F)(F)CC1(CF)CC1;ZXBQZEDERXEHJW-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231153;MM231153;CCC1(CC(F)(F)F)CC1;YZYMKGXJRLUNMI-UHFFFAOYSA-N;152.16;3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231154;MM231154;CNC1(CC(C)(C)C)CC1;RKKJYJUFLJHZNZ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231155;MM231155;CNC1(CC(C)(C)N)CC1;QFVDOSTYYTYHDS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231156;MM231156;CNC1(CC(C)(C)O)CC1;XRUWIKXRUDDNKN-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231157;MM231157;CNC1(CC(C)(C)F)CC1;BGBJJUMAQJLENA-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231158;MM231158;CNC1(CC(F)(F)F)CC1;CLSFOYLYLCCGNJ-UHFFFAOYSA-N;153.15;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231159;MM231159;COC1(CC(C)(C)C)CC1;FMOAMFOCOWEQJZ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231160;MM231160;COC1(CC(C)(C)N)CC1;IVSYCQXTWCMQPB-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231161;MM231161;COC1(CC(C)(C)O)CC1;KFRZTZVIMBDAKY-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231162;MM231162;COC1(CC(C)(C)F)CC1;REYORRPALRSZON-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231163;MM231163;COC1(CC(C)(F)F)CC1;UFKFGPDREGHBJD-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231164;MM231164;CCC1(NC(C)(C)C)CC1;VDBUKHQEPUVMQJ-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231165;MM231165;CC(C)(C)NC1(CN)CC1;GGJBWHASBVYWGF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231166;MM231166;CC(C)(C)NC1(CO)CC1;SMINILPCSLQJAH-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231167;MM231167;CCC1(OC(C)(C)C)CC1;HXIZLSDOCQXGGC-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231168;MM231168;CC(C)(C)OC1(CN)CC1;UDNSJJRMOZSWGA-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231169;MM231169;CC(C)(C)OC1(CO)CC1;YUYLHAWNIVWMKH-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231170;MM231170;CC(C)(C)OC1(CF)CC1;JJXMZWVNBCLGST-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231171;MM231171;CC(C)(C)CC1(CN)CN1;BLXKEIQBMAJOLV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231172;MM231172;CCC1(CC(C)(C)N)CN1;ZQGQNLFNJLDJJZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231173;MM231173;CC(C)(N)CC1(CN)CN1;QSJVAZQRDIIVMJ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231174;MM231174;CC(C)(N)CC1(CO)CN1;XONFONGNRSDADF-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231175;MM231175;CC(C)(O)CC1(CN)CN1;XLBLUCZQRXCNPB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231176;MM231176;CC(C)(F)CC1(CN)CN1;AADLJQSJLVSBTK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231177;MM231177;CC(F)(F)CC1(CN)CN1;VKGVSONLXAFHJS-UHFFFAOYSA-N;150.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231178;MM231178;CCC1(CC(C)(C)C)CO1;JHEXFZBQTBGPBI-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231179;MM231179;CC(C)(C)CC1(CN)CO1;PXRYHURLVDWYKL-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231180;MM231180;CC(C)(C)CC1(CO)CO1;GGEDEAZVRUFJRU-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231181;MM231181;CC(C)(C)CC1(CF)CO1;NOVJFHKVCHFPIL-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231182;MM231182;CCC1(CC(C)(C)N)CO1;GHAOPIIPJOMEDH-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231183;MM231183;CCC1(CC(C)(C)O)CO1;CZFZWYCYYYPVCP-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231184;MM231184;CC(C)(O)CC1(CN)CO1;PXLINAHXMASQBJ-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231185;MM231185;CCC1(CC(C)(C)F)CO1;YRZWNFBQSKDAKQ-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231186;MM231186;CC(C)(F)CC1(CN)CO1;GPHMVLCBCQCIEQ-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231187;MM231187;CC(C)(F)CC1(CO)CO1;HRMYVQNONNNLIR-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231188;MM231188;CCC1(CC(C)(F)F)CO1;HNNJPGFYCXGRTK-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231189;MM231189;CC(F)(F)CC1(CN)CO1;ARFNXXCGPJGDCD-UHFFFAOYSA-N;151.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231190;MM231190;CC(F)(F)CC1(CO)CO1;WUMASRCTQQNBRI-UHFFFAOYSA-N;152.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231191;MM231191;CCCCC(C)C(C)(C)C;ACYHSTUWOQNWCX-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231192;MM231192;CC(CCCO)C(C)(C)C;IECJUMYEWJOKHM-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231193;MM231193;CCCCC(N)C(C)(C)C;NGAWIXFWWDAXPX-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231194;MM231194;CC(C)(C)C(N)CCCN;IZNRGVZQXCRXFH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231195;MM231195;CC(C)(C)C(N)CCCO;PFXCTNBCUUZGJJ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231196;MM231196;CC(C)(C)C(O)CCCF;REFBMPPLCOGPJF-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231197;MM231197;CC(C)(C)C(F)CCCN;YQHXEKAFDSHYFY-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231198;MM231198;CCCCC(C)C(C)(C)N;XRVICADJSJPRPU-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231199;MM231199;CC(CCCN)C(C)(C)N;LYYMXXCLJITKJU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231200;MM231200;CC(CCCO)C(C)(C)N;WBUOHDJKHWKIAE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231201;MM231201;CC(CCCF)C(C)(C)N;QVDZKHSWSXKTSJ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231202;MM231202;CCCCC(N)C(C)(C)N;MVOMAKUUNWSCTF-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231203;MM231203;CC(C)(N)C(N)CCCN;IWUCWWLYSRUAGW-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231204;MM231204;CCCCC(F)C(C)(C)N;XHIKHQXZWPEZIY-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231205;MM231205;CC(C)(N)C(F)CCCF;BIKYQXLSTBWTEX-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231206;MM231206;CCc1cc(N)[nH]n1;AXDGPQLEVYSXNL-UHFFFAOYSA-N;111.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231207;MM231207;CC(CCCN)C(C)(C)O;HXGXSMJUGYTNRI-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231208;MM231208;OCC12CC=CC1N2;AJZUEDZXVDHONN-UHFFFAOYSA-N;111.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231209;MM231209;CCCCC(N)C(C)(C)O;DEMQYTCOYGXIPB-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231210;MM231210;CC(C)(O)C(O)CCCN;YIPYIBSGUUPVIT-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231211;MM231211;CC(C)(O)C(F)CCCF;UJVDUEJAIJJBHR-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231212;MM231212;CCCCC(C)C(C)(C)F;XUMGQVMTZOOIAM-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231213;MM231213;CC(C)(F)C(N)CCCF;FPPZVONLGRJQCY-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231214;MM231214;CC(C)(F)C(F)CCCN;DOPASOUJZDCVOI-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231215;MM231215;CC(CCCN)C(C)(F)F;KARWWOCVMVCRCL-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231216;MM231216;CC(F)(F)C(N)CCCN;NUVPOLVARJUIME-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231217;MM231217;CNCCC(N)C(C)(C)C;LCIIHVMUFCIZNT-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231218;MM231218;CNCCC(C)C(C)(C)N;AXAPRRAKXKUBKJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231219;MM231219;CNCCC(C)C(C)(C)O;JNOBBZDHELUZNW-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231220;MM231220;CNCCC(F)C(C)(C)F;WJGOGDBRPKIBAR-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231221;MM231221;CNCCC(C)C(C)(F)F;DHBLXYWROQTXRI-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231222;MM231222;CNCCC(N)C(C)(F)F;PFDAQSZBFDZQGT-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231223;MM231223;CNCCC(O)C(C)(F)F;QRAMDKPVGGGVSF-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231224;MM231224;CNCCC(F)C(C)(F)F;UHNDTQWJFQOICZ-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231225;MM231225;CNCCC(C)C(F)(F)F;VFWFHNTUNMEUDG-UHFFFAOYSA-N;155.16;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231226;MM231226;COCCC(C)C(C)(C)C;MNWJCOKTLZRSKK-UHFFFAOYSA-N;144.26;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231227;MM231227;COCCC(C)C(C)(C)N;PZHSDQLOCNULFX-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231228;MM231228;COCCC(N)C(C)(C)N;JZFBBQJIVSORNT-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231229;MM231229;COCCC(N)C(C)(C)O;HVXXHDQQXGIOES-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231230;MM231230;COCCC(O)C(C)(C)O;RPLYLVQHRUYMNX-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231231;MM231231;COCCC(O)C(C)(F)F;SYEWAFTVDPHNBC-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231232;MM231232;COCCC(O)C(F)(F)F;WSADNWLSNXKDRB-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231233;MM231233;CCNCC(C)C(C)(C)C;RGAGUWJLEFQVKJ-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231234;MM231234;CCNCC(N)C(C)(C)C;LMTBLGDAYZGDNO-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231235;MM231235;CCNCC(C)C(C)(C)N;UPVKUUFUAPGNQM-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231236;MM231236;CCNCC(N)C(C)(C)N;SVHBOHQDBUFHSZ-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231237;MM231237;CCNCC(C)C(C)(C)O;LTSMTADFFZAQEC-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231238;MM231238;CCNCC(N)C(C)(C)O;VBOKRAZIKNQFEU-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231239;MM231239;CCNCC(F)C(C)(C)O;FUONBNJABSRBIA-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231240;MM231240;CCNCC(N)C(C)(C)F;GEJBJPMOLFVWGC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231241;MM231241;CCNCC(C)C(C)(F)F;KWBUFBNFJPDGMY-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231242;MM231242;CCNCC(O)C(C)(F)F;CNKSOGRHJOMGPS-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231243;MM231243;CCNCC(O)C(F)(F)F;JMZHIEFIHACQKS-UHFFFAOYSA-N;157.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231244;MM231244;CCOCC(O)C(C)(C)F;CZAAVTLTITYPTL-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231245;MM231245;CCOCC(O)C(C)(F)F;UHEOKALNSXMFEB-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231246;MM231246;CCOCC(N)C(F)(F)F;NPPWGLOLKPCGMA-UHFFFAOYSA-N;157.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231247;MM231247;CCOCC(O)C(F)(F)F;WHCOMWYYCYECHS-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231248;MM231248;CCCNC(C)C(C)(C)C;PVDKEHBAVXYUKP-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231249;MM231249;CC(NCCN)C(C)(C)C;XJOJPPBHDVSJOI-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231250;MM231250;CC(NCCF)C(C)(C)C;SWGBLZDVRJXRBX-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231251;MM231251;CCCNC(C)C(C)(C)N;UREKEABVHTTZOI-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231252;MM231252;CC(NCCN)C(C)(C)N;DVENXJCBPKDRBH-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231253;MM231253;CCCNC(C)C(C)(C)O;LXLYEVYADNVFCN-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231254;MM231254;CC(NCCN)C(C)(C)O;UMVBQVJUNUHGJT-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231255;MM231255;CC(NCCO)C(C)(C)O;PYICLTHSRYDCLQ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231256;MM231256;CC(NCCN)C(C)(F)F;RLUOKVRARKVKJX-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231257;MM231257;CCCOC(C)C(C)(C)C;XKJOFGLZVYOYDP-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231258;MM231258;CC(OCCN)C(C)(C)C;HBMOBIQHQZAUEV-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231259;MM231259;CC(OCCN)C(C)(C)O;SLEAUFAAPBVBOZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231260;MM231260;CCCCN(C)C(C)(C)C;KEHWVABQFOMZKD-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231261;MM231261;CN(CCCF)C(C)(C)C;XUIDPSNVYMPSEI-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231262;MM231262;COCCN(C)C(C)(C)C;FKRWIYULKDPMMU-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231263;MM231263;C=CCCC(C)C(C)(C)C;RWLCYLPEBQKRID-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231264;MM231264;CC(CCC=O)C(C)(C)C;NHBINGOOBNESIC-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231265;MM231265;CC(CCC#N)C(C)(C)C;IVILIYCTDAKDGV-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231266;MM231266;C=CCCC(N)C(C)(C)C;PTGQDGSTXMCUJX-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231267;MM231267;CC(C)(C)C(O)CCC=O;DBBOSYNRQFMAIH-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231268;MM231268;CC(C)(C)C(O)CCC#N;YMTHXIYCSQWNPX-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231269;MM231269;C=CCCC(C)C(C)(C)N;YWCCKJZTURBRTN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231270;MM231270;C=CCCC(N)C(C)(C)N;GOJZFPNINIGTPU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231271;MM231271;C=CCCC(F)C(C)(C)N;LYVIAFDHMNEVBP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231272;MM231272;CC1=NNC(C)(CO)C1;IMBXZKYWCLPHMT-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231273;MM231273;NC(=O)CC1(CO)CN1;BAPLTPWNMHKRHY-UHFFFAOYSA-N;130.15;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231274;MM231274;C=CCCC(N)C(C)(C)O;XDNWNPAFNUWJDN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231275;MM231275;C=CCCC(C)C(C)(C)F;ANCGOPCWRNXFEH-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231276;MM231276;C=CCCC(N)C(C)(C)F;DJJNSBFNQZCGJT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231277;MM231277;CC(C)(F)C(O)CCC=O;CZHCZVTVCQSUJS-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231278;MM231278;CC(C)(F)C(O)CCC#N;WSEVGIWAZWQCHS-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231279;MM231279;CC(CNC=N)C(C)(C)C;DMNAXXYLDGQAHD-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231280;MM231280;CC(C)(N)C(O)CNC=O;TVZAATYPOVSTTI-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231281;MM231281;CC(C)(N)C(F)CNC=N;JIYQSXYOAZBXEL-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231282;MM231282;CC(CNC=N)C(C)(C)O;OQOKCUARZVEQEQ-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231283;MM231283;CC(C)(O)C(F)CNC=N;IQQJBFLWGXAFAW-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231284;MM231284;CC(C)(F)C(N)CNC=N;ZKCOKQZLCRYYGS-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231285;MM231285;CC(C)(F)C(O)CNC=N;BNMKUFSJLVOZPA-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231286;MM231286;CC(C)(F)C(O)CNC=O;YFOJNHAZMYEEKI-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231287;MM231287;CC(F)(F)C(O)CNC=O;XSLOXOUCRITIOG-UHFFFAOYSA-N;153.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231288;MM231288;C=NNCC(C)C(C)(C)C;XVNAABZWOFTISN-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231289;MM231289;CC=NNC1CC1(C)O;XTMVGXPHKWWVFB-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231290;MM231290;C=NNCC(C)C(C)(C)N;CIIBEUPDXPNYOE-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231291;MM231291;C=C(CO)N(N)C(N)=O;QEMMQLUDMHWMHI-UHFFFAOYSA-N;131.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231292;MM231292;C=COCC(C)C(C)(C)C;QMYZPGQAFWFNHV-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231293;MM231293;CC(COC=O)C(C)(C)C;SQHPCKTZSBTJLW-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231294;MM231294;CC(C)(C)C(N)COC=O;NCQGUKPSLCKLQM-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231295;MM231295;CC(C)(C)C(O)COC=O;DVSOQGBQUBQOCZ-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231296;MM231296;C=COCC(C)C(C)(C)N;JNHUDVPTTVDBAW-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231297;MM231297;CC(COC=O)C(C)(C)N;XDIYDAIUZMKSMA-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231298;MM231298;CC(C)(N)C(O)COC=O;CTTAROPAMGHPLN-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231299;MM231299;C=COCC(C)C(C)(C)O;ZBLPUBAJQUSJKX-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231300;MM231300;C=COCC(N)C(C)(C)O;WOQXNRBZNQTHKH-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231301;MM231301;C=COCC(O)C(C)(C)F;UCESPUCAWXOOBP-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231302;MM231302;C=COCC(O)C(C)(F)F;GFLJMWNMPREYAS-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231303;MM231303;C=COCC(N)C(F)(F)F;VFTCKVUSALGTQM-UHFFFAOYSA-N;155.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231304;MM231304;C=COCC(O)C(F)(F)F;PCUPEQAGNOAQIS-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231305;MM231305;C=NOCC(C)C(C)(C)C;OBJFJNUVRVQSHJ-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231306;MM231306;C=NOCC(C)C(C)(C)N;ULUZJTJZGUPCOV-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231307;MM231307;C=NOCC(O)C(C)(C)N;KSYBEFHFXWUAKR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231308;MM231308;C=CCNC(C)C(C)(C)N;WRFVBEVDMXSNBV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231309;MM231309;C=CCNC(C)C(C)(C)O;WVYVMQOENDXQHW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231310;MM231310;CC(NCC#N)C(C)(C)F;CRAVDXKJKZANIF-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231311;MM231311;CC(NNC=N)C(C)(C)N;IYPLFRLRNJRNJR-UHFFFAOYSA-N;144.22;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231312;MM231312;C=CCOC(C)C(C)(C)C;NZYNKKWCFJDTCO-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231313;MM231313;CC(OCC#N)C(C)(C)C;DVMFJHDYXPPPKI-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231314;MM231314;C=CCOC(C)C(C)(C)N;YQSPIDQPITXDCN-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231315;MM231315;C=CCOC(C)C(C)(C)O;QXEAJHIMCJZNQW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231316;MM231316;CC(OCC#N)C(C)(C)O;DQJGAKAGSYYCPG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231317;MM231317;CC(OCC#N)C(C)(C)F;NCTDFUWGBGQXAY-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231318;MM231318;CC(OCC#N)C(C)(F)F;NNAJMQIBTKQRAI-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231319;MM231319;CC(OCC#N)C(F)(F)F;PKCZKNOGYAUBCC-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231320;MM231320;CC(ONC=N)C(C)(C)N;BSJSRSXADWDBRS-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231321;MM231321;CC(ONC=N)C(C)(C)O;GRJGIDSUCGFAHD-UHFFFAOYSA-N;146.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231322;MM231322;C=CCCN(C)C(C)(C)C;ICQVFPKHKGAAHV-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231323;MM231323;CN(CCC=O)C(C)(C)C;ODLHIPICCDJNIU-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231324;MM231324;C#CCCC(C)C(C)(C)C;KPZQZWPQTQHTBX-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231325;MM231325;C#CCCC(N)C(C)(C)C;KQHSAJSWXRVRQK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231326;MM231326;CNNC(=N)C(F)C#N;DNPDASASBKZITC-UHFFFAOYSA-N;130.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231327;MM231327;C#CCCC(C)C(C)(C)N;BGALGQOWJRZXOX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231328;MM231328;C#CCCC(F)C(C)(C)N;BADUYMQMLPKBDH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231329;MM231329;C=NNC(C#CC)CO;TXSGWSSRFCXUOH-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231330;MM231330;C#CCCC(C)C(C)(C)F;VEYDCXWTORLLFR-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231331;MM231331;C#CCCC(O)C(C)(F)F;UIHRELHFFGYBIF-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231332;MM231332;C#CCNC(C)C(C)(C)C;GILRFSDBXPTVHI-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231333;MM231333;C#CCNC(C)C(C)(C)N;ANTUDXWAMVZFRY-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231334;MM231334;C#CCNC(C)C(C)(C)O;LRERKHHJJXUTQV-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231335;MM231335;C#CCNC(C)C(C)(F)F;HJWARFDFXAPSQR-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231336;MM231336;C#CCCN(C)C(C)(C)C;HLDTXIYNSAXBDF-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231337;MM231337;C=C(CCCC)C(C)(C)C;XGIOEUJVJCRMEK-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231338;MM231338;C=C(CCCN)C(C)(C)C;NTLQYVPTHVUOAR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231339;MM231339;CCCCC(=O)C(C)(C)C;ZLMHETMAEHQFHK-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231340;MM231340;CC(C)(C)C(=O)CCCO;QFASWQGJJBPWNE-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231341;MM231341;C=C(CCCC)C(C)(C)N;PALBGEKCWGASDI-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231342;MM231342;C=C(CCCN)C(C)(C)N;ASAILXWZLBWAHR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231343;MM231343;C=C(CCCO)C(C)(C)N;RJRBYWXBSOMIPZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231344;MM231344;CC1=NC(=N)C(C)N1N;VIMFZNFGWKAQGM-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231345;MM231345;C=C(CCCN)C(C)(C)O;OMRQWXJVHVMYEJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231346;MM231346;Cc1[nH]c(N)c(F)c1F;KFSZJDKUZNMEBP-UHFFFAOYSA-N;132.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231347;MM231347;NC(C=O)=NC1CC1O;XZWIHAAEGCBXSU-UHFFFAOYSA-N;128.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231348;MM231348;C=C(CCCC)C(C)(C)F;MJOXBCWEMZQNSV-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231349;MM231349;CC(C)(F)C(=O)CCCF;INVIFGKLCZGMQT-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231350;MM231350;C=C(CCCN)C(C)(F)F;DXUWNXNCJQFHAL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231351;MM231351;CC(F)(F)C(=O)CCCO;RZLOQFPHLLJEFJ-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231352;MM231352;O=C(CCCF)C(F)(F)F;KOIWGUYMFSLFNM-UHFFFAOYSA-N;158.09;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231353;MM231353;CNCCC(=O)C(C)(C)C;XGVULZGBMCDXTI-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231354;MM231354;C=C(CCNC)C(C)(C)O;YICZASASFRRJKK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231355;MM231355;C=C(CCNC)C(C)(C)F;DMZSGLMZQWAGPE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231356;MM231356;C=C(CCNC)C(C)(F)F;XOFAFFACEGEFEL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231357;MM231357;CNCCC(=O)C(C)(F)F;SEHFATBTKDXMOE-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231358;MM231358;C=C(CCNC)C(F)(F)F;WNYTZWMJAFLCHF-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231359;MM231359;COCCC(=O)C(C)(C)C;FCIFDRVELHAWQD-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231360;MM231360;C=C(CNCC)C(C)(C)N;ZUFWWGDIMBQYEI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231361;MM231361;C=C(CNCC)C(C)(C)O;OPVDHQMRVHEXAV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231362;MM231362;CCOCC(=O)C(C)(C)C;BLPQEBUZSCHCMD-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231363;MM231363;CC(C)(C)C(=N)NCCN;ICEQOHNMSQGXJF-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231364;MM231364;CC(C)(C)C(=N)NCCO;ITONFAUUDFPKIA-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231365;MM231365;CC(C)(N)C(=N)NCCO;GGJKIDRKDLBDJV-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231366;MM231366;CCCNC(=O)C(C)(C)N;DTYLXSNQBWYMTN-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231367;MM231367;CC(C)(O)C(=N)NCCO;XMVKXGDEOWTNSO-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231368;MM231368;CC(C)(O)C(=N)NCCF;SEHIWMBLQAGKEM-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231369;MM231369;CC(C)(O)C(=O)NCCO;VVAGCZGPBUILTR-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231370;MM231370;CC(F)(F)C(=O)NCCN;OHCGTVBRUKUSIR-UHFFFAOYSA-N;152.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231371;MM231371;CC1NC1C#CC(N)=O;WFHOZQUICLFQIT-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231372;MM231372;O=C1CC2NC2(CO)C1;VLHPOMYTYPBXTO-UHFFFAOYSA-N;127.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231373;MM231373;CCONC(=N)C(C)(C)N;MMDNJFMUVTZPKF-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231374;MM231374;CCn1[nH]cc(F)c1=O;WAAMHZOVWBAUMP-UHFFFAOYSA-N;130.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231375;MM231375;C=C(OCCC)C(C)(C)C;WCVJKXUWAPUUOL-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231376;MM231376;C=C(OCCN)C(C)(C)C;UZCAPLRDIZPVDR-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231377;MM231377;C=C(OCCO)C(C)(C)C;VYEJYXDPMTVMSU-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231378;MM231378;CC(C)(C)C(=O)OCCN;FQONOTCENZKKQT-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231379;MM231379;C=C(OCCC)C(C)(C)N;LPWGNUVFDJGVLE-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231380;MM231380;C=C(OCCF)C(C)(C)N;XGKJRRDMEIWPLV-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231381;MM231381;CCCOC(=O)C(C)(C)O;CSRFYVKSQFVNST-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231382;MM231382;CC(C)(O)C(=O)OCCO;BFHVMCRMQYLPQW-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231383;MM231383;C=C(OCCN)C(C)(C)F;FSZTXGXCBVDBNU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231384;MM231384;C=C(OCCO)C(C)(C)F;JJRCUYCJTLOZRN-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231385;MM231385;CC(F)(F)C(=O)OCCO;NWYNSZULYJDZIL-UHFFFAOYSA-N;154.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231386;MM231386;C=C(OCOC)C(F)(F)F;HSPRAWHPKKBNNB-UHFFFAOYSA-N;156.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231387;MM231387;COCOC(=O)C(F)(F)F;ICBQRANOQJGXFT-UHFFFAOYSA-N;158.08;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231388;MM231388;C=C(CCC#N)C(C)(C)C;WBWBGUOGMTWKSJ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231389;MM231389;CC(C)(C)C(=O)CCC=O;CAXYFNXJIXJIGB-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231390;MM231390;C=CCCC(=C)C(C)(C)N;ZZEKTJCHYGVRLO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231391;MM231391;CC1=CC2NC2(CO)C1;WXZHKIZVVCBHPN-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231392;MM231392;C=NNC=NC1CC1O;VGTDUGZLWNGWMV-UHFFFAOYSA-N;127.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231393;MM231393;C=C(CNC=N)C(C)(C)C;UOSIHMWLRJMZIT-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231394;MM231394;CNC1=CC(=NN)OC1;YKKBCSRTVWBNGD-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231395;MM231395;CC(C)(C)C(=O)CNC=O;QLJHIPLBRMPRCL-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231396;MM231396;CC(C)(F)C(=O)CN=CN;XIYVNZNZZINFGE-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231397;MM231397;C=NNCC(=C)C(C)(C)C;SNLRTNKOJVCPOD-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231398;MM231398;CC(C)(O)C(C)(C)C=NN;RWXZJUSVCUPYTJ-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231399;MM231399;CC(=CC=NN)C(C)(C)O;UYSZYFZGIKVKAX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231400;MM231400;C=COCC(=C)C(C)(C)C;CDCSISPOOREHQC-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231401;MM231401;CC(C)(O)C(=O)COC=O;FRZHJHCUGUIOLX-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231402;MM231402;CC(C)(F)C(=O)COC=O;UAIOGDDPMZOYGQ-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231403;MM231403;C=NOCC(=C)C(C)(C)C;WQWQUFHFUWKHPG-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231404;MM231404;C=NN(C=N)C(C)(C)CO;IFKFCMKCZAOGIU-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231405;MM231405;CC(C)(C)C(=N)NCC=O;GHNVEGCQAJEHPA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231406;MM231406;CC(C)(C)C(=O)NCC=O;OEDGOUBNPMUPKO-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231407;MM231407;CC(C)(O)C(=N)NCC#N;ZNKUQBSDPXSFJF-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231408;MM231408;CC(C)(O)C(=O)NCC=O;UOFCINDXKXXHTI-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231409;MM231409;CC(C)(O)C(=O)NCC#N;OCARCHAPIWSHHX-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231410;MM231410;CC(C)(F)C(=N)NCC#N;SBFGTAUGCZPHQG-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231411;MM231411;C=CCNC(=O)C(C)(C)F;VGQOXSUDKLYMJR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231412;MM231412;CC(C)(F)C(=O)NCC#N;STILLYSEMJZCTA-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231413;MM231413;C=CCNC(=N)C(C)(F)F;QXXRRFRKDHHWCP-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231414;MM231414;CC(C)(C)C(=N)NNC=N;DWUKDNQZKRDCHP-UHFFFAOYSA-N;142.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231415;MM231415;CC(C)(C)C(=N)NNC=O;GCCYVXMFBMSAIR-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231416;MM231416;CC(C)(C)C(=O)NN=CN;RQSLMSNPLBCOEX-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231417;MM231417;CC(C)(F)C(=N)NNC=N;NGECSPSGGNHIKI-UHFFFAOYSA-N;146.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231418;MM231418;CC(C)(F)C(=O)NNC=O;UEEGDHXVMCYHJL-UHFFFAOYSA-N;148.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231419;MM231419;CC(F)(F)C(=N)NNC=O;ITPIMUYDVCFQOO-UHFFFAOYSA-N;151.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231420;MM231420;N#Cc1noc(O)c1N;HKCSYUNEWVNIOL-UHFFFAOYSA-N;125.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231421;MM231421;C=CCOC(=C)C(C)(C)C;JLRHHSUWCLBRGR-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231422;MM231422;C=CCOC(=C)C(C)(C)N;PAJCZRBAOIPXNE-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231423;MM231423;C=C(OCC#N)C(C)(C)O;MPISTPMDKZGNLE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231424;MM231424;CC(C)(F)C(=O)OCC=O;POBKEFFVPYOMMI-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231425;MM231425;CC(C)(F)C(=O)OCC#N;WATRYGLCCBIPHR-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231426;MM231426;C=C(OCC#N)C(C)(F)F;RCHGKDRLZGTBJX-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231427;MM231427;C=C(OCC#N)C(F)(F)F;LRWXDVAMDHOCFQ-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231428;MM231428;C#CCCC(=O)C(C)(C)C;ZLZIKZDHXTXQJU-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231429;MM231429;C=NN(C=O)C(C)(C)CO;DTCDYYPDKVOPCD-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231430;MM231430;C#CCNC(=N)C(C)(C)N;DXPRIYHJXVOXJZ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231431;MM231431;C#CCNC(=O)C(C)(C)N;SHAFOGBKHBSCBC-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231432;MM231432;C#CCNC(=O)C(C)(C)O;PZNQWMPIEZRYES-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231433;MM231433;C#CCNC(=O)C(C)(C)F;BUSGERHPELIAPL-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231434;MM231434;C#CCNC(=N)C(F)(F)F;YPOZUKBVXZYQQY-UHFFFAOYSA-N;150.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231435;MM231435;C#CCNC(=O)C(F)(F)F;GAUSMJHDHCSZOX-UHFFFAOYSA-N;151.09;0.3;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231436;MM231436;C#CCOC(=C)C(C)(C)N;CFCVZXXNLHOMMY-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231437;MM231437;C#CCOC(=C)C(C)(C)O;ABSRWMPHXNKZBA-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231438;MM231438;C#CCOC(=O)C(C)(C)O;NTJFIHNHGYGNEY-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231439;MM231439;C#CCOC(=O)C(C)(C)F;HZJHEGZLQOZZEP-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231440;MM231440;C#CCOC(=C)C(C)(F)F;PZARMQNQSBSWEW-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231441;MM231441;C#CCOC(=O)C(C)(F)F;OHAFZHIGUIHKPK-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231442;MM231442;C#CCOC(=C)C(F)(F)F;CYUFPXBONBCWIR-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231443;MM231443;CC=CCC(C)C(C)(C)C;SIVCLZCYHBKZGO-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231444;MM231444;CC=CCC(C)C(C)(C)N;IQIUEDGIDRBHGR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231445;MM231445;CC(CC=CF)C(C)(C)N;IBUCOOQJZJGTLG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231446;MM231446;CC=CCC(N)C(C)(C)N;NMRPXZBJSNZANE-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231447;MM231447;CC=CCC(F)C(C)(C)N;JXLXGWRYSXQCBL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231448;MM231448;CC(C)(N)C(F)CC=CF;OMGXDOFYCDZYHG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231449;MM231449;CC#CC(C)(C=NN)CO;ZJWWRZLIKYZCBG-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231450;MM231450;CC=CCC(N)C(C)(C)O;HUPUHNXCAYTHHZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231451;MM231451;CC(C)(O)C(N)CC=CF;NJNCMLQWYQDONH-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231452;MM231452;CC=CCC(F)C(C)(C)O;SZHQFHYWXCPNBC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231453;MM231453;CC=CCC(C)C(C)(C)F;QAJLLUDOYWDXFP-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231454;MM231454;CC(C)(F)C(N)CC=CF;ANQUTMNLVRFOEV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231455;MM231455;CC(CC=NN)C(C)(C)C;PEDPJDPRKKJSQZ-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231456;MM231456;CC(F)C(=N)NOC(N)=O;MJIIUPHKWRREKP-UHFFFAOYSA-N;149.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231457;MM231457;CC(C)(C)C(O)CC=NO;SPUFCSBTDJQGPJ-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231458;MM231458;CC(CC=NO)C(C)(C)N;VJGBYBWUYNWKDT-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231459;MM231459;CC(CC=NO)C(C)(C)O;UVUBNOSWFPNOBY-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231460;MM231460;NN=CCC(O)C(F)(F)F;AFHCOXITKVTRPT-UHFFFAOYSA-N;156.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231461;MM231461;CN=CNC(C)C(C)(C)C;DAFZPOWCPBGDDW-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231462;MM231462;CC(N=CNN)C(C)(C)C;IVPNLUMRYFWHFL-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231463;MM231463;CC(N=CNO)C(C)(C)N;SMORJFHZXDKEBB-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231464;MM231464;CC=NNC(C)C(C)(C)C;GHOVFYVDYKAFIQ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231465;MM231465;CC=NNC(C)C(C)(C)N;LAYLNAFPSHSFKR-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231466;MM231466;N#CC(=N)NC(N)=NC=O;UTEYNSZCKYMTOM-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231467;MM231467;CC=NNC(C)C(C)(C)F;FIOAOGFYMYDQEG-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231468;MM231468;CC=COC(C)C(C)(C)C;ALVQFRJKZMXFHQ-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231469;MM231469;CC=COC(C)C(C)(C)N;ZZSUWHVMHHMQHQ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231470;MM231470;CC(O)C=C(F)C(=N)NO;OMGGZBQGPWUXBG-UHFFFAOYSA-N;148.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231471;MM231471;CC(OC=NO)C(C)(F)F;HAGJMYJZXDBBCA-UHFFFAOYSA-N;153.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231472;MM231472;CN=CN(O)CC#CC#N;ZNWFCYXVZYYSHJ-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231473;MM231473;CC(OC=NO)C(F)(F)F;AXIYOMQPOYJNTJ-UHFFFAOYSA-N;157.09;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231474;MM231474;C=C(CC=CC)C(C)(C)N;SDVMOBDWVZVFKN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_C5";;;;;;;3.6;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231475;MM231475;C=C(CC=CF)C(C)(C)N;OBBWOQHQYLGYJU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231476;MM231476;CC(C)(O)C(=O)CC=CF;VVEAPMLFSXPIAT-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231477;MM231477;C=C(CC=NO)C(C)(C)C;JXNVXLDTPUWOKA-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231478;MM231478;CC=CNC(=N)C(C)(C)C;ILZVPZFCIVYVLO-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231479;MM231479;N=C(NC=CF)C(F)(F)F;SJZAKMHUEPJCDA-UHFFFAOYSA-N;156.08;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231480;MM231480;CC=CNC(=O)C(F)(F)F;SXZSIXDQLJPEEE-UHFFFAOYSA-N;153.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231481;MM231481;O=C(NC=CF)C(F)(F)F;UPDUQMLNYYUQNM-UHFFFAOYSA-N;157.07;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231482;MM231482;C=C(N=CNN)C(C)(C)C;OLXNDLMYIDDXRX-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231483;MM231483;CN=CNC(=N)C(C)(C)C;OTPYIWOAVHARGL-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231484;MM231484;CC(C)(C)C(=N)NC=NN;YRIIOCPJCSHCEP-UHFFFAOYSA-N;142.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231485;MM231485;CC(C)(C)C(=N)NC=NO;XNABGIJZJAXSBO-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231486;MM231486;CN=CNC(=O)C(C)(C)C;GOXDONWJKQYELC-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231487;MM231487;CC(C)(C)C(=O)NC=NO;IFMVKKMEGUDDNE-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231488;MM231488;CN=CNC(=O)C(C)(C)N;QDBTYVMVLNONNI-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231489;MM231489;CC(C)(N)C(=O)NC=NO;GWSLXBQPQJHUKF-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231490;MM231490;CN=CNC(=N)C(C)(C)O;KLXOAKMNDCVSAQ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231491;MM231491;CN=CNC(=O)C(C)(C)O;KZDHDKRAIWPSAQ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231492;MM231492;CC(C)(O)C(=O)NC=NO;XTYUBANPKPHXLH-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231493;MM231493;C=C(N=CNN)C(C)(C)F;UICCZMHKOISFNN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231494;MM231494;C=NNCC(C)(CO)CO;QFPNSNHJIBJIRI-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231495;MM231495;CC(C)(F)C(=O)NC=NN;ZIJXCFNTIZRBHM-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231496;MM231496;CC(C)(F)C(=O)NC=NO;APQXZEXVPCMDIR-UHFFFAOYSA-N;148.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231497;MM231497;CCC1=NNC(C)(CO)C1;VYSYLWXQCLSOIX-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231498;MM231498;CC=NNC(=O)C(C)(F)F;CJHJKDSMBWARQR-UHFFFAOYSA-N;150.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231499;MM231499;CC=NNC(=O)C(F)(F)F;SWAQTRDKNSXNDA-UHFFFAOYSA-N;154.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231500;MM231500;C=C(OC=CC)C(C)(C)C;GFORHBACNQCWBF-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231501;MM231501;C=C(OC=CC)C(C)(C)N;GCMFIFTVSMZDMK-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231502;MM231502;CC=COC(=O)C(C)(C)O;OKZQJMZNIYMOHU-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231503;MM231503;CC=COC(=O)C(C)(C)F;STWMWHFIZQYRJY-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231504;MM231504;CC=COC(=O)C(C)(F)F;IONMZHJKCUTXMD-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231505;MM231505;CC=COC(=O)C(F)(F)F;JYRYKXJTTDXECY-UHFFFAOYSA-N;154.09;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231506;MM231506;COC1=NCC(C)(CO)N1;GOLPEMGNRYLQCD-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231507;MM231507;C=C(OC=NO)C(C)(C)F;HFDRAZSIZQFMFQ-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231508;MM231508;C=CC1=NNC(C)(CO)C1;GOTVJMVHHARHGK-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231509;MM231509;C=C(OC=NO)C(C)(F)F;DCLJHHDDLIGGRU-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231510;MM231510;CC1(CO)CN=C(C=O)N1;HSKHNOJRMYRNAE-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231511;MM231511;CC1(CO)CN=C(C#N)N1;ARZVQKOWWXBNRX-UHFFFAOYSA-N;139.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231512;MM231512;C#CC1=NNC(C)(CO)C1;LZNYOERQCZBTJZ-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231513;MM231513;CC=NOC(=O)C(C)(C)F;SFJIMJMVQNCASU-UHFFFAOYSA-N;147.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231514;MM231514;CC=NOC(=O)C(C)(F)F;ZSTGDLLRXDGQNB-UHFFFAOYSA-N;151.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231515;MM231515;CC=NOC(=O)C(F)(F)F;DLKMOEAULBQPLJ-UHFFFAOYSA-N;155.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231516;MM231516;CC#CCC(C)C(C)(C)C;DZKFEYGJSIWROK-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231517;MM231517;CC#CCC(C)C(C)(C)N;RQICBIBPSMDKEQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231518;MM231518;CC#CCC(N)C(C)(C)N;WIHFMEZONPTOPH-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231519;MM231519;CC#CCC(N)C(C)(C)O;MYKMRTMCDCHDJG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231520;MM231520;CC#CCC(O)C(C)(C)O;SZSOHIFKQMPRAB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231521;MM231521;C=C(CC#CC)C(C)(C)C;XNGGWBSNAHDTBT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231522;MM231522;CC#CCC(=O)C(C)(C)C;UBGWYWPEERDQQW-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231523;MM231523;C=C(CC#CC)C(C)(C)N;DKNKZBQFWWAKLL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231524;MM231524;C=NN(C=N)CC1(O)CC1;FQWNGIMOAYRJPK-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231525;MM231525;CC#CCC(=O)C(C)(C)O;AWYRBDPPBYPYCA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231526;MM231526;C=C(CC#CC)C(C)(C)F;UGIHIQVWWLLQLG-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231527;MM231527;CCC=CC(C)C(C)(C)C;LCWSMDLLWJUDSG-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231528;MM231528;CC(C=CCN)C(C)(C)C;FFZQPGCDPASVMP-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231529;MM231529;CC(C=CCF)C(C)(C)C;RPBAYFCQNNVQTH-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231530;MM231530;CCC=CC(N)C(C)(C)C;YCFWCJRXOIBOCZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231531;MM231531;CC(C)(C)C(N)C=CCN;DOSARVFRLXUBKY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231532;MM231532;CC(C)(C)C(N)C=CCO;FTEJWNPPGIJNBQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231533;MM231533;CC(C)(C)C(N)C=CCF;FTMHKYPWYZPGJG-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231534;MM231534;CC(C)(C)C(O)C=CCN;QHFFBFCPQZRPMC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231535;MM231535;CCC=CC(F)C(C)(C)C;AHGPYDOSNJWTEH-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231536;MM231536;CCC=CC(C)C(C)(C)N;KWAUBWJVVDIWLN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231537;MM231537;CC(C=CCN)C(C)(C)N;QHPWJAAMVJRPHJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231538;MM231538;CC(C=CCF)C(C)(C)N;KRLDHWSMDGQLBG-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231539;MM231539;CCC=CC(N)C(C)(C)N;CXQORUILXDVFLK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231540;MM231540;CC(C)(N)C(N)C=CCF;YXTXRTUSLHESTM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231541;MM231541;CC(C)(N)C(O)C=CCN;KMHHHNLDSCUJTD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231542;MM231542;CC(C)(N)C(O)C=CCO;JBEPBIMJINJLTG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231543;MM231543;CCC=CC(F)C(C)(C)N;KIHUKAWACDAWTK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231544;MM231544;N#CC(=O)CC1(CO)CN1;VPXBHVKDGSHZMV-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231545;MM231545;CC(C=CCN)C(C)(C)O;GTEBNMIHADPPSQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231546;MM231546;CC(C)(O)C(N)C=CCO;HPWZSDZKNUOFIY-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231547;MM231547;CCC=CC(F)C(C)(C)O;BTUSZNVEEUSMQQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231548;MM231548;CCC=CC(C)C(C)(C)F;GVGOYWYBBULWAB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231549;MM231549;CC(C=CCO)C(C)(C)F;URNOIAHIQTVTAV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231550;MM231550;NCC=CC(N)C(F)(F)F;JUXXLOYYBQLUMA-UHFFFAOYSA-N;154.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231551;MM231551;COC=CC(F)C(C)(C)C;QNCJTEDQCVNQFO-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231552;MM231552;COC=CC(N)C(C)(C)N;OIQBLBMNPFTACU-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231553;MM231553;COC=CC(F)C(C)(C)O;GSQHWFNDXMLFFF-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231554;MM231554;COC=CC(O)C(C)(C)F;MAYWPPXEWQIOFX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231555;MM231555;COC=CC(O)C(C)(F)F;CTQLUJUPDJNDPF-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231556;MM231556;COC=CC(N)C(F)(F)F;PIKVGZDIFPTFHG-UHFFFAOYSA-N;155.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231557;MM231557;COC=CC(O)C(F)(F)F;IQWNRLMPHZDVQN-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231558;MM231558;CNN=CC(C)C(C)(C)C;HDRGFWIBLFUOQB-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231559;MM231559;CNN(C)C(=O)NCC=O;LFJHUAWFHXLUAS-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231560;MM231560;CNN=CC(C)C(C)(C)N;RYQALIRTVGXODC-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231561;MM231561;N=C(NN)N(C=O)C(N)=O;WOYAZEGOYCPMBA-UHFFFAOYSA-N;145.12;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231562;MM231562;N=CN=CN(C=O)C(N)=O;CXWCVRYNXIGGNC-UHFFFAOYSA-N;142.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231563;MM231563;CN(O)C(C=O)=NCCO;MQWQTTSCUVJZBD-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231564;MM231564;C=NNC=C(C=O)C(C)O;ALLILIPRXOFBLR-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231565;MM231565;CON=CC(C)C(C)(C)C;FASLCEXGYKEQRZ-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231566;MM231566;N=c1cc(CO)n(N)nn1;JUMRVZMRLMETRF-UHFFFAOYSA-N;141.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231567;MM231567;CON=CC(C)C(C)(C)N;WQKQUCYYYYVKAD-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231568;MM231568;N=CN(C=O)C(CO)CO;YPMLIUJGSNTAJJ-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231569;MM231569;CON=CC(C)C(C)(C)F;CADZIGLRPHRYOU-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231570;MM231570;CON=CC(N)C(F)(F)F;BXRGWDMTMLOKEZ-UHFFFAOYSA-N;156.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231571;MM231571;CON=CC(O)C(F)(F)F;LTMNZYWINJCCSN-UHFFFAOYSA-N;157.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231572;MM231572;CNN=CN(C)C(C)(C)C;PDGPQFLEMVXIQT-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231573;MM231573;N=CN(C=O)C(=CF)CO;JGOBVOSUDLFBKP-UHFFFAOYSA-N;146.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231574;MM231574;CON=CN(C)C(C)(C)C;VTZCKRAMJYJLNZ-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231575;MM231575;NN=c1cc(CO)n(N)o1;LNNXSULXUNADNK-UHFFFAOYSA-N;144.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231576;MM231576;CCC1=CC2NC2(CO)C1;SZSCEHBCIYJTDL-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231577;MM231577;COC=NN(C)C(C)(C)C;SSHOCGZDJLYMBP-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231578;MM231578;C=CC=CC(C)C(C)(C)C;GZIOFTLAFVZCMA-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231579;MM231579;CC(C=CC#N)C(C)(C)C;AISHGANAOVHNHQ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231580;MM231580;C=CC=CC(N)C(C)(C)C;HRZZYEYAOLGISU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231581;MM231581;CC(C)(C)C(O)C=CC#N;JEBGWZASHGVXOQ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231582;MM231582;OCC12CC(CF)=CC1N2;FWCNJLQPERTJRM-UHFFFAOYSA-N;143.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231583;MM231583;C=CC1=CC2NC2(CO)C1;OPVOCNMWDZZHIW-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231584;MM231584;CC(C)(O)C(F)C=CC=O;XGZOHBMGHDRVDH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231585;MM231585;CC(C)(O)C(F)C=CC#N;PBXVVJYPOJGIDP-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231586;MM231586;C=CC=CC(C)C(C)(C)F;GHRWVQVWVYIZDU-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231587;MM231587;CC(C=CC#N)C(C)(C)F;LFLGMGDMVGHTDZ-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231588;MM231588;CC(C)(F)C(O)C=CC=O;KBBXPPXNJSXLCZ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231589;MM231589;CC(C=CC#N)C(C)(F)F;WHIRDURYVMEXDC-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231590;MM231590;CC(F)(F)C(O)C=CC#N;HEEUSYJDRHVEAQ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231591;MM231591;N#CC=CC(O)C(F)(F)F;SBPCJKWMNWKONH-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231592;MM231592;C=NN=CC(C)C(C)(C)C;XFXKTUUEOWCEFR-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231593;MM231593;C=NN=CC(C)C(C)(C)N;NSEGKNLZMQVHER-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231594;MM231594;C=NN=CC(C)C(C)(C)O;KAEDOBDQZHTIDS-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231595;MM231595;C=NN=CC(O)C(C)(C)F;CLVVBVDCSUYYOV-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231596;MM231596;C=NN=CC(O)C(C)(F)F;JNNGCGVILCTOPS-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231597;MM231597;C=NN=CC(O)C(F)(F)F;RAXOWZYNFJRVPX-UHFFFAOYSA-N;154.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231598;MM231598;CC(C)(C)N(N)C=NC=O;KJQOVMPTHCIWRS-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231599;MM231599;O=CC1=CC2NC2(CO)C1;CRSHVEYKORNNFH-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231600;MM231600;C=NN=CN(C)C(C)(C)C;RXZYKYJWOLXCGW-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231601;MM231601;C=NN=CN(N)C(C)(C)C;UOXUOHHPINVUAK-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231602;MM231602;C=CC=NN(C)C(C)(C)C;BEJJMVWLXPMXNS-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231603;MM231603;CN(N=CC#N)C(C)(C)C;HBEFJSKJRLZTRO-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231604;MM231604;C#CC=CC(N)C(C)(C)C;GKHYRJVWSWWAJK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231605;MM231605;C#CC=CC(C)C(C)(C)N;MCOMUBORWFOBBV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231606;MM231606;C#CC=CC(N)C(C)(C)N;KWTORBCRKZNFOC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231607;MM231607;C#CC=CC(F)C(C)(C)O;BCGONPAFPBSJAW-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231608;MM231608;C#CC=CC(C)C(C)(C)F;YMEQFALRPSOPDO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231609;MM231609;C#CC=CC(O)C(C)(C)F;XDMBFPRWQRQXEC-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231610;MM231610;C=C(C=CCC)C(C)(C)C;ZTNQNDKJVXGMLZ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231611;MM231611;C=C(C=CCN)C(C)(C)C;FXQWKZOLFQBAMZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231612;MM231612;C=C(C=CCO)C(C)(C)C;PADGGZMVCLEUET-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231613;MM231613;C=C(C=CCC)C(C)(C)N;OFIUATMWUAICAC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231614;MM231614;C=C(C=CCN)C(C)(C)N;ZDKLQBHDPMREII-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231615;MM231615;C=C(C=CCO)C(C)(C)N;CYBAOQCIHZXZTI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231616;MM231616;C=C(C=CCF)C(C)(C)N;FUPFEXBGSZGENG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231617;MM231617;CCC=CC(=O)C(C)(C)O;MPDPZCFHTAVWIY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231618;MM231618;C=C(C=CCO)C(C)(C)F;RPWABVLPGPCTMG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231619;MM231619;C=C(C=CCF)C(C)(C)F;UHNRQPLQLNBGFC-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231620;MM231620;CC(C)(F)C(=O)C=CCO;KLQLNZZRLFCCAW-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231621;MM231621;CC(F)(F)C(=O)C=CCO;ANRPKNFOPUPWPG-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231622;MM231622;CNC=CC(=O)C(C)(C)C;FVPPERRPOICAND-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231623;MM231623;CNC=CC(=O)C(C)(C)F;IPAYZHBJNXFFSG-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231624;MM231624;N#CC1=CC2NC2(CO)C1;TYXKZXDVWFXHAS-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231625;MM231625;C=C(C=NOC)C(C)(C)C;JBTMLENNLJTKAS-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231626;MM231626;CON=CC(=O)C(C)(C)O;SOYKQKVNSNXVBG-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231627;MM231627;CON=CC(=O)C(C)(F)F;UUDRPZKYXVFLGW-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231628;MM231628;C=CC=CC(=C)C(C)(C)C;TWJKFQAEQYWEGN-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231629;MM231629;C=C(C=CC#N)C(C)(C)C;BHQJCBQKZKJSFD-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231630;MM231630;C=CC=CC(=O)C(C)(C)O;HAYBOLSRZOJKRQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231631;MM231631;CC(C)(O)C(=O)C=CC=O;MHQQQUSTHGOBRS-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231632;MM231632;C=CC=CC(=C)C(C)(C)F;ACEYPJMRWWIWSS-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231633;MM231633;C=C(C=CC=O)C(C)(C)F;BBEARDDJOBYNLQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231634;MM231634;C=CC=CC(=O)C(C)(C)F;MZKLFMPGCMYVLT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231635;MM231635;CC(C)(F)C(=O)C=CC=O;GEFVZLISYRAKKU-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231636;MM231636;CC(C)(F)C(=O)C=CC#N;SDLLPUJBKOCNGD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231637;MM231637;N#CC=CC(=O)C(F)(F)F;LSSIWQMPUPLQTO-UHFFFAOYSA-N;149.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231638;MM231638;C=NN=CC(=C)C(C)(C)N;OVRAVIJSHRUNCN-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231639;MM231639;C=NN=CC(=C)C(C)(C)F;DOKKQRFBRIPGJN-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231640;MM231640;C=NN=CC(=O)C(F)(F)F;CJASCNYVUUYHNP-UHFFFAOYSA-N;152.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231641;MM231641;C#CC=CC(=C)C(C)(C)N;KDMCBSLENCKZGA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231642;MM231642;C#CC=CC(=C)C(C)(C)F;RPDPYOZOTDEYPF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231643;MM231643;CCC#CC(C)C(C)(C)C;MMIPGQZJMLNOBV-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231644;MM231644;CC(C#CCN)C(C)(C)C;JBCOAWHQNIEJRJ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231645;MM231645;CC(C#CCO)C(C)(C)C;ICRXSOJASNZRFK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231646;MM231646;CC(C#CCF)C(C)(C)C;YHYUFYXPILPXHA-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231647;MM231647;CCC#CC(N)C(C)(C)C;OHHZZILJFCTUTH-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231648;MM231648;CC(C)(C)C(N)C#CCF;VWGWYLNXYIGIFJ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231649;MM231649;CCC#CC(O)C(C)(C)C;XVXWNSWLMNWZQQ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231650;MM231650;CC(C)(C)C(O)C#CCO;ZEKXNDHDGXFMDV-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231651;MM231651;CC(C)(C)C(O)C#CCF;FJNZCFFKHQFCIO-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231652;MM231652;CCC#CC(F)C(C)(C)C;OCBWWNARSHKWFI-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231653;MM231653;CC(C)(C)C(F)C#CCO;JXONKZMFIGKQBI-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231654;MM231654;CC(C)(C)C(F)C#CCF;MJZLDJWCMCHFEH-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231655;MM231655;CCC#CC(C)C(C)(C)N;HDUJZIWRBJICGQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231656;MM231656;CC(C#CCN)C(C)(C)N;ISIDGNMGZRDFFX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231657;MM231657;CC(C#CCO)C(C)(C)N;XWWZHIHGBCYGCI-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231658;MM231658;CC(C#CCF)C(C)(C)N;YEMJBZJSLDDJSK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231659;MM231659;CCC#CC(N)C(C)(C)N;RYYFMHWUYZRFKQ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231660;MM231660;CCC#CC(O)C(C)(C)N;PXJMRNBBUDWPQK-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231661;MM231661;CC(C)(N)C(O)C#CCN;OEFVRXXCPDXPAU-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231662;MM231662;CC(C)(N)C(O)C#CCO;KFJOHKSFMSTFJJ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231663;MM231663;CCC#CC(F)C(C)(C)N;UZULMDOHNKNPCP-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231664;MM231664;C#CC1=CC2NC2(CO)C1;ZHOWNJRTOIYJMQ-UHFFFAOYSA-N;135.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231665;MM231665;CC(C#CCN)C(C)(C)O;BTMULAXFNGXUJT-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231666;MM231666;CC(C#CCO)C(C)(C)O;BLWXCWWQRYHFQB-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231667;MM231667;CC1=NNC2(CO)CC2C1;CPWFZWCGVGBTSG-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231668;MM231668;CCC#CC(N)C(C)(C)O;OCVNXOZOCRAKGC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231669;MM231669;CCC#CC(O)C(C)(C)O;GPDBWLFJELWWIF-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231670;MM231670;CCC#CC(F)C(C)(C)O;FERJRUUJEXUOFV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231671;MM231671;CCC#CC(C)C(C)(C)F;VNIXSOVCYWABSI-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231672;MM231672;CC(C#CCN)C(C)(C)F;SIVHXZJUSDPXBH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231673;MM231673;CC(C#CCO)C(C)(C)F;FFSUHINNCDDTBN-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231674;MM231674;CC(C#CCF)C(C)(C)F;FYJKTGRKDQPQGD-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231675;MM231675;CC(C)(F)C(N)C#CCN;HAIXDPMVVLKPEP-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231676;MM231676;CCC#CC(O)C(C)(C)F;OCSFTSDQKOTYHW-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231677;MM231677;CC(C)(F)C(O)C#CCF;ADZMRCFRJOQHLD-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231678;MM231678;CCC#CC(C)C(C)(F)F;DKCPVGVYXUXZII-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231679;MM231679;CC(C#CCN)C(C)(F)F;MYWOZUHHDGZWTA-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231680;MM231680;CCC#CC(O)C(C)(F)F;KYJRFXJTEYVMMX-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231681;MM231681;CC(F)(F)C(O)C#CCO;UCNOIIIIQVZHLZ-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231682;MM231682;CC(F)(F)C(O)C#CCF;LFOUWSJWBGDUKB-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231683;MM231683;CC(F)(F)C(F)C#CCN;NZKIXJOJDHDJJD-UHFFFAOYSA-N;151.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231684;MM231684;CC(F)(F)C(F)C#CCO;UXPRGTYIGNCKHP-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231685;MM231685;NCC#CC(N)C(F)(F)F;HHSWWDSAYKVPFX-UHFFFAOYSA-N;152.12;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231686;MM231686;CC1CC2(CO)NC2C1=O;MDPHXMHHYFXGKM-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231687;MM231687;OC(C#CCF)C(F)(F)F;DMWAKXUQAQQVPC-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231688;MM231688;NCC#CC(F)C(F)(F)F;UVHVJBXJQRDWEH-UHFFFAOYSA-N;155.09;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231689;MM231689;OCC#CC(F)C(F)(F)F;VOFYLWCAKOLIAZ-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231690;MM231690;C=CC#CC(C)C(C)(C)C;ZTAKLPMTEINLAD-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231691;MM231691;CC(C#CC=O)C(C)(C)C;NOGPAFKRZSZUKW-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231692;MM231692;CC(C#CC#N)C(C)(C)C;NJWNTLKYHATBHC-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231693;MM231693;C=CC#CC(N)C(C)(C)C;DLPVAGFMNKRJAR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231694;MM231694;C=CC#CC(O)C(C)(C)C;WPPZEYCOSGCCDW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231695;MM231695;CC(C)(C)C(O)C#CC=O;IKANKWZSMJPTHH-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231696;MM231696;CC(C)(C)C(O)C#CC#N;DAHUIEZVVVUAIQ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231697;MM231697;C=CC#CC(F)C(C)(C)C;LMPRGFMEECLSTA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231698;MM231698;CC(C)(C)C(F)C#CC=O;AKDTVJKLXFMMIA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231699;MM231699;CC(C)(C)C(F)C#CC#N;KBPULILNDVWZIU-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231700;MM231700;C=CC#CC(C)C(C)(C)N;GIFKDTRCBODNGE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231701;MM231701;C=CC#CC(O)C(C)(C)N;IDDVAVPVIJMGOB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231702;MM231702;C=CC#CC(F)C(C)(C)N;GAEITVGAFPMAAE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231703;MM231703;C=C1CC2(CO)NC2C1=C;PVBJIGRHXURDQR-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231704;MM231704;CC1(CO)NC1C=O;DIOAAWWKJPFHNB-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231705;MM231705;C=NNC1(CO)CC1;NMIBJGVBLZDDDG-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231706;MM231706;C=CC#CC(O)C(C)(C)O;QBRYPDZKOHSYAK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231707;MM231707;CC(C)(O)C(O)C#CC=O;DZZJEZBPBCDVRB-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231708;MM231708;CC(C)(O)C(O)C#CC#N;QOBXUJCWDLVSIM-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231709;MM231709;C=CC#CC(F)C(C)(C)O;YSTQAGOMBBMTAA-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231710;MM231710;CC(C)(O)C(F)C#CC=O;WOISOEMEDIGXMF-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231711;MM231711;CC(C)(O)C(F)C#CC#N;SRILMBZJKLVPJM-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231712;MM231712;C=CC#CC(C)C(C)(C)F;YLOIFWLUFDJQSN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231713;MM231713;CC(C#CC=O)C(C)(C)F;PEYBIDLYZNKSFL-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231714;MM231714;CC(C#CC#N)C(C)(C)F;LFAPVLUDCIMSIE-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231715;MM231715;C=CC#CC(O)C(C)(C)F;DISRCFURSAZUTR-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231716;MM231716;CC(C)(F)C(O)C#CC=O;OYECMJXNEBXLRK-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231717;MM231717;CC(C)(F)C(O)C#CC#N;FACMHSYVPGNPHJ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231718;MM231718;C=CC#CC(F)C(C)(C)F;JCFLLUCMVZJLET-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231719;MM231719;CC(C)(F)C(F)C#CC#N;CPKOXBWDDBNPRU-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231720;MM231720;C=CC#CC(C)C(C)(F)F;HNIFZHKNKYHJNY-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231721;MM231721;CC(C#CC#N)C(C)(F)F;MRUBBWMBGOLLTB-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231722;MM231722;C=CC#CC(O)C(C)(F)F;CJSSSWHGTABPIH-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231723;MM231723;CC(F)(F)C(O)C#CC#N;ZGJNHXQYPCHMHR-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231724;MM231724;CC(F)(F)C(F)C#CC=O;AEFQWFBFMJHGTC-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231725;MM231725;C=C(F)C1NC1(C)CO;WXSFWJUFOVYFHW-UHFFFAOYSA-N;131.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231726;MM231726;C=CC#CC(O)C(F)(F)F;JPURNHDKRZDVNF-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231727;MM231727;N#CC#CC(O)C(F)(F)F;GQULEZYSFWQVTC-UHFFFAOYSA-N;149.07;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231728;MM231728;C#CC#CC(C)C(C)(C)C;NTNHDKXMFFIGSO-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231729;MM231729;C#CC#CC(N)C(C)(C)C;DUSVYJQSSQPGLC-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231730;MM231730;C#CC#CC(O)C(C)(C)C;ZQQCIWOYIIOGFN-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231731;MM231731;C#CC#CC(F)C(C)(C)C;CMTPCVQIBYSLRG-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231732;MM231732;C#CC#CC(C)C(C)(C)N;GRCRFBYBQAMELB-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231733;MM231733;C#CC#CC(O)C(C)(C)N;VHCKIYZFPJOEBC-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231734;MM231734;C#CC#CC(F)C(C)(C)N;GTSRDIGOZICDEZ-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231735;MM231735;NN(C=O)CC1(O)CC1;JXTKRAXGTGPZNY-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231736;MM231736;C#CC#CC(N)C(C)(C)O;JSTTWJIHAGZCTN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231737;MM231737;C#CC#CC(F)C(C)(C)O;QSXVEBBLIUPBPX-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231738;MM231738;C#CC#CC(C)C(C)(C)F;AIAFLDIPUFXQQI-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231739;MM231739;C#CC#CC(O)C(C)(C)F;KPSYFUQQALOYLE-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231740;MM231740;C#CC#CC(F)C(C)(C)F;PSANRXOZBLMRGB-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231741;MM231741;C#CC#CC(C)C(C)(F)F;REYLQXLJAHUUSE-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231742;MM231742;C#CC#CC(O)C(C)(F)F;VTKGLNPTAWRFEU-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231743;MM231743;C#CC#CC(N)C(F)(F)F;QTQOIBOJVWLTOV-UHFFFAOYSA-N;147.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231744;MM231744;C#CC#CC(O)C(F)(F)F;WYWWIOALZJARCO-UHFFFAOYSA-N;148.08;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231745;MM231745;C=C(C#CCC)C(C)(C)C;YWMTXPGYNISRAT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231746;MM231746;C=C(C#CCN)C(C)(C)C;CQVXLDIEPAEQAD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231747;MM231747;C=C(C#CCO)C(C)(C)C;SPGQGJAVQGLCGH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231748;MM231748;C=C(C#CCF)C(C)(C)C;NVQOZKCAEASDRU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231749;MM231749;CCC#CC(=O)C(C)(C)C;GRWSGTQSKRIMLQ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231750;MM231750;CC(C)(C)C(=O)C#CCO;ZOQMADMOUKAVDQ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231751;MM231751;CC(C)(C)C(=O)C#CCF;YVBDUHVCJADLTJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231752;MM231752;C=C(C#CCC)C(C)(C)N;MZGLOKFRZOBTGG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231753;MM231753;C=C(C#CCO)C(C)(C)N;OSECKZUPCZFDRX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231754;MM231754;C=C(C#CCF)C(C)(C)N;AHZLHDKOMWFAKZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231755;MM231755;C=NN(C)CC1(O)CC1;YBHWNKZFOFMHSQ-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231756;MM231756;O=CCNCC(=O)C=O;ZYSRBPDRPPEAQA-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231757;MM231757;CCC#CC(=O)C(C)(C)O;YSFAUDCULZEZTP-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231758;MM231758;CC(C)(O)C(=O)C#CCF;GHESZTPZEGUVHQ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231759;MM231759;C=C(C#CCC)C(C)(C)F;XFWLAXZKDSYIHD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231760;MM231760;C=C(C#CCN)C(C)(C)F;XHTDLFYNXQDWJI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231761;MM231761;C=C(C#CCO)C(C)(C)F;WRRHZTFMPHPWFY-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231762;MM231762;C=C(C#CCF)C(C)(C)F;LWXSYIKQUSOGFO-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231763;MM231763;CCC#CC(=O)C(C)(C)F;OACFJTLIRPRUDC-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231764;MM231764;CC(C)(F)C(=O)C#CCF;GQHVVSOPZRVLCX-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231765;MM231765;C=C(C#CCC)C(C)(F)F;XEFSHUWAEDEKER-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231766;MM231766;C=C(C#CCN)C(C)(F)F;NDHDCTOYQDUIPW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231767;MM231767;CCC#CC(=O)C(C)(F)F;VXRDVEHOVCDYTG-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231768;MM231768;CC(F)(F)C(=O)C#CCF;KWWKRTYCVQNIIW-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231769;MM231769;O=C(C#CCO)C(F)(F)F;FBQBWPSANSVLLV-UHFFFAOYSA-N;152.07;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231770;MM231770;O=C(C#CCF)C(F)(F)F;AVDTWUQPUKVCIG-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231771;MM231771;C=CC#CC(=C)C(C)(C)C;GEPIMRVAXFGJGA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231772;MM231772;C=C(C#CC=O)C(C)(C)C;AAWFLDGIXUYDKK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231773;MM231773;C=C(C#CC#N)C(C)(C)C;SCGWUKWEVZZNKJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231774;MM231774;C=CC#CC(=O)C(C)(C)C;HQLIRDMWRLVBBY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231775;MM231775;CC(C)(C)C(=O)C#CC=O;KJVCLASHAMQMMF-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231776;MM231776;CC(C)(C)C(=O)C#CC#N;FLPKQACLDVRARN-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231777;MM231777;C=CC#CC(=C)C(C)(C)N;PGGRYOXNGKOMKZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231778;MM231778;C=NNc1cc(N)[nH]n1;OQGZCVIEJZTWGZ-UHFFFAOYSA-N;125.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231779;MM231779;NC(=O)C#CCN1CC1;LTLXXTKAVJGZGX-UHFFFAOYSA-N;124.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231780;MM231780;C=C(C#CC#N)C(C)(C)O;JFNWTUOKUOQPSN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231781;MM231781;C=CC#CC(=O)C(C)(C)O;SRCOIMZACGHDLY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231782;MM231782;CC(C)(O)C(=O)C#CC=O;PKAYZFUYFDQGGI-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231783;MM231783;C=CC#CC(=C)C(C)(C)F;IYYSWAHZOIXUTE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231784;MM231784;C=C(C#CC=O)C(C)(C)F;ORDONPRUSWOSMR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231785;MM231785;C=C(C#CC#N)C(C)(C)F;AYOZAYZDQGOCPX-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231786;MM231786;C=CC#CC(=O)C(C)(C)F;MITMLUNIVCNFFY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231787;MM231787;CC(C)(F)C(=O)C#CC=O;DHYSZHQJZJDTED-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231788;MM231788;CC(C)(F)C(=O)C#CC#N;IVVFZAZOBQDUPB-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231789;MM231789;C=CC#CC(=C)C(C)(F)F;UNWOYZKFXWVHPU-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231790;MM231790;C=C(C#CC=O)C(C)(F)F;LCQGXWXMWCTDOV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231791;MM231791;C=C(C#CC#N)C(C)(F)F;NWIZAUYQYALMJN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231792;MM231792;C=CC#CC(=O)C(C)(F)F;XTLAGMUAZBTTNY-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231793;MM231793;CC(F)(F)C(=O)C#CC=O;DWXRBKKMSKXHEO-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231794;MM231794;CC(F)(F)C(=O)C#CC#N;KYEXUPCRDJPAKS-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231795;MM231795;C=C(C#CC#N)C(F)(F)F;ATYZCTBYGFHBLQ-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231796;MM231796;C=CC#CC(=O)C(F)(F)F;ZPINHYJBDTVCAV-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231797;MM231797;O=CC#CC(=O)C(F)(F)F;PKCKVURBGXPXLF-UHFFFAOYSA-N;150.06;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231798;MM231798;N#CC#CC(=O)C(F)(F)F;NMXZTAOIIDINRD-UHFFFAOYSA-N;147.06;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231799;MM231799;C#CC#CC(=C)C(C)(C)C;UCGSGETVEMGUHF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231800;MM231800;C#CC#CC(=O)C(C)(C)C;MXDQSZJRFYGZLZ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231801;MM231801;C#CC#CC(=C)C(C)(C)N;JAVXMRRKAJQIND-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231802;MM231802;OCC12C=C(F)C(C1)N2;JMQFSNKIQDUASM-UHFFFAOYSA-N;129.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231803;MM231803;C#CC#CC(=O)C(C)(C)O;CUQYPGUVJASOCP-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231804;MM231804;C#CC#CC(=C)C(C)(C)F;MOGYIWZUDOZZRZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231805;MM231805;C#CC#CC(=O)C(C)(C)F;DLMNDUZHYPBDAV-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231806;MM231806;C#CC#CC(=C)C(C)(F)F;XRNLKGMBIHLUFX-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231807;MM231807;C#CC#CC(=O)C(C)(F)F;DHODGZUGKRYVIV-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231808;MM231808;C#CC#CC(=C)C(F)(F)F;HSTVQVCXWYEHRN-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231809;MM231809;C#CC#CC(=O)C(F)(F)F;JXPLXUHBNYMYEG-UHFFFAOYSA-N;146.07;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231810;MM231810;CCCC=C(C)C(C)(C)C;LYXAEXTVPDHVFS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231811;MM231811;CC(=CCCO)C(C)(C)C;CUQIZTCPXYEASR-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231812;MM231812;CCCC=C(F)C(C)(C)C;ZXMHNWZMGCPKMC-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231813;MM231813;CC(C)(C)C(F)=CCCN;HDJXNQOPGSFLEJ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231814;MM231814;CCCC=C(C)C(C)(C)N;OVEASHSUUNOMRE-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231815;MM231815;CC(=CCCN)C(C)(C)N;PENTUFCROVUXLH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231816;MM231816;CC(=CCCF)C(C)(C)N;ZELVDBMGKQZUHQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231817;MM231817;CCCC=C(F)C(C)(C)N;HMNONRQLTLLAPL-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231818;MM231818;CC(C)(N)C(F)=CCCF;TXDUMIDDDKKDRO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231819;MM231819;C#CC(CO)N(N)C=O;TYTCCOLYKLKQTN-UHFFFAOYSA-N;128.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231820;MM231820;CC(=CCCN)C(C)(C)O;NOZFUMZPYFSGAY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231821;MM231821;OCC12CCC(F)C1N2;RDWNAWROWPWKFA-UHFFFAOYSA-N;131.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231822;MM231822;C=C1CCC2(CO)NC12;JDLXWNDIGMVGDP-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231823;MM231823;CCCC=C(F)C(C)(C)O;AISLDNIJISOUNW-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231824;MM231824;CC(C)(O)C(F)=CCCO;WXBBPURSMYODNL-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231825;MM231825;CC(C)(O)C(F)=CCCF;YFBLXMUIEXRMBX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231826;MM231826;CCCC=C(C)C(C)(C)F;ACWBVSLNGGUIRZ-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231827;MM231827;CCCC=C(F)C(C)(C)F;ZSQCMWMTTBAYTI-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231828;MM231828;CC(=CCCN)C(C)(F)F;LYFYZGJERWEKNX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231829;MM231829;CC(=CCCF)C(C)(F)F;WNEALHDHHIGAOC-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231830;MM231830;CNCC=C(C)C(C)(C)C;ASZURWIQRLIEQM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231831;MM231831;CNCC=C(F)C(C)(C)C;NMADQJRNEVVDID-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231832;MM231832;CNCC=C(C)C(C)(C)N;QWXMDGCPNNAWOE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231833;MM231833;CNCC=C(F)C(C)(C)O;SRWRMRZSERBZPZ-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231834;MM231834;CNCC=C(C)C(C)(C)F;VSLHGGIKMYOEEZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231835;MM231835;CNCC=C(C)C(C)(F)F;DRRRTVAOANAANI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231836;MM231836;COCC=C(F)C(C)(C)N;HGULBCFYLBIQPL-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231837;MM231837;CCOC=C(C)C(C)(C)C;SRPANOFEWIOXBH-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231838;MM231838;CCOC=C(C)C(C)(C)N;TYHMOOJBVAALQA-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231839;MM231839;CCOC=C(C)C(C)(C)O;FPRQMQUPOKNAJT-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231840;MM231840;CCNN=C(C)C(C)(C)C;ABPOTZABLFTMBP-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231841;MM231841;CCNN=C(C)C(C)(C)N;JHYVFDYATPQYLX-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231842;MM231842;CCC#Cc1cn[nH]c1;PXTFCZGTUUPOGS-UHFFFAOYSA-N;120.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231843;MM231843;CN1C2CC3(O)CC3C21;LSTTYJSSSHGXLS-UHFFFAOYSA-N;125.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231844;MM231844;CCON=C(C)C(C)(C)C;SFSMTXYPMHHDNP-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231845;MM231845;CCON=C(C)C(C)(C)N;AVZDBLKFHTUVTK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231846;MM231846;CCON=C(C)C(C)(C)F;OITHOAAVTUXNNF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231847;MM231847;CC(=CCC#N)C(C)(C)C;GRWVBSCXTBXUTI-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231848;MM231848;C=CCC=C(C)C(C)(C)N;QPVNBHSHHFARNO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231849;MM231849;C=CCC=C(F)C(C)(C)N;JVOCQECPYXXLOC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231850;MM231850;OCC12CC3NC3C1N2;PQAJJLZJEVCKGA-UHFFFAOYSA-N;126.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231851;MM231851;CC1(CO)NC1C(F)(F)F;NZXXQOHXKJJFDO-UHFFFAOYSA-N;155.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231852;MM231852;CC(=CCC=O)C(C)(C)F;PTTVXSNAVYFQTM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231853;MM231853;CC(=CCC=O)C(C)(F)F;BYJWLLBJLLMDLL-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231854;MM231854;CC(=CNC=N)C(C)(C)C;YTCGGQNGBBBYOK-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231855;MM231855;CC(=CNC=O)C(C)(C)C;WNFWRPMJQCBOAX-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231856;MM231856;CC(=CNC=N)C(C)(C)N;FUGMNRKGBAJQLG-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231857;MM231857;CC(=CNC=O)C(C)(C)N;DUZZXVBRDODJEQ-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231858;MM231858;CC(=CNC=N)C(C)(C)F;RAFBDQVLBODVPQ-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231859;MM231859;CC(C)(F)C(F)=CNC=N;AWXWKSDNOHPREY-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231860;MM231860;C=COC=C(C)C(C)(C)C;ZFCBQMODAJEULF-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231861;MM231861;CC(=COC=O)C(C)(C)C;ONEIJDCTNZKYTD-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231862;MM231862;C=COC=C(C)C(C)(C)N;CHAHWYGEBWXSRI-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231863;MM231863;CC(=COC=O)C(C)(C)N;AHLUQVOMYNIZAW-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231864;MM231864;CC(=COC=O)C(C)(C)O;KPBDTOYHOJGJOV-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231865;MM231865;CC(=NNC=O)C(C)(C)C;ZWVFLLJOYFDKHN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231866;MM231866;CC(=NNC=O)C(C)(C)O;OSBOTXQZGIYBQR-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231867;MM231867;CC(=NNC=O)C(C)(C)F;TZCUKLMKHRMWQQ-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231868;MM231868;CC(=NOC=O)C(C)(C)C;VSPHGSDIUHBDCO-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231869;MM231869;C#CCNC(=N)OC(N)=O;NZMBESUXZJXDOV-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231870;MM231870;CC(=NOC=O)C(C)(C)F;ZEKNYIRSWYVHIR-UHFFFAOYSA-N;147.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231871;MM231871;C#CCC=C(C)C(C)(C)C;LEGYWIZEYVNAGB-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231872;MM231872;C#CCC=C(C)C(C)(C)N;NDJPWKAMEKYPMU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231873;MM231873;C#CCC=C(F)C(C)(C)N;QMGPMRILCCAXJM-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231874;MM231874;CC=CC=C(C)C(C)(C)C;CHAQCDPAQFUNCN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231875;MM231875;CC(=CC=CF)C(C)(C)C;FXFZQADPNDMYGM-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231876;MM231876;CC=CC=C(F)C(C)(C)C;WAKPHHKIVHRROI-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231877;MM231877;CC(=CC=CF)C(C)(C)N;UJYFYGYOEDMXPM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231878;MM231878;CC(C)(N)C(F)=CC=CF;RXEATVFGMJODBF-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231879;MM231879;CN(C=O)NC1CC1(C)O;KKVOTRAMDQFHNM-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231880;MM231880;NN(C=O)CC(O)CCO;JTGOGRDXOWYKDQ-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231881;MM231881;CC=CC=C(F)C(C)(C)O;MDBLVDDEADXWBD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231882;MM231882;CC(=CC=NN)C(C)(C)C;OTYBZHRQNACBIL-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231883;MM231883;CC(=O)N(N)CC1(O)CC1;JZPUMRPTHOZTQS-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231884;MM231884;CC(=CC=NO)C(C)(C)N;FJJCNLFGXJFQKR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231885;MM231885;CC(C)(N)C(N)=CC=NO;LVPLUUXMYDVVMA-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231886;MM231886;CN1C2C3CC3(O)CC21C;YASAOPFLTILGBO-UHFFFAOYSA-N;139.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231887;MM231887;CC(=CC=NO)C(C)(C)O;NJBNAOVUBUOOEA-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231888;MM231888;C=C1CC(=O)C2(C)C1N2C;YVSQKVUNTFVTCW-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231889;MM231889;C#CC(C)(C=NNC)CO;MBAWHKPUONPKHO-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231890;MM231890;COC(=O)C1NC1(C)CO;FPBKMYKCZWDJQB-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231891;MM231891;NC(=CC=NO)C(F)(F)F;LRAHPKSTBNSLQI-UHFFFAOYSA-N;154.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231892;MM231892;CC=NN=C(C)C(C)(C)C;GGMPIQUHRCGMNQ-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231893;MM231893;CC=NN=C(C)C(C)(C)F;NGKJQYFSFRFODM-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231894;MM231894;CC=NN=C(C)C(C)(F)F;AECXMGVQUJSHKV-UHFFFAOYSA-N;148.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231895;MM231895;CC#CC=C(C)C(C)(C)C;PANASWNQSDRXTL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231896;MM231896;CC#CC=C(F)C(C)(C)C;XKNGDVJUNLWTKG-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231897;MM231897;CC#CC=C(C)C(C)(C)N;FGUCIOKRIHZURP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231898;MM231898;CC#CC=C(F)C(C)(C)N;XBHNHLDZHADTBZ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231899;MM231899;C=C(C#N)C1NC1(C)CO;UWBYOGBGFSMVEZ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231900;MM231900;CC#CC=C(C)C(C)(C)F;UMFZBTAQRUIFMZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231901;MM231901;CC#CC=C(F)C(C)(C)F;KKWCPKCZGKTCNV-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231902;MM231902;CCC(CCN)C(C)(C)N;KMAOGPYJBQZEKH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231903;MM231903;CCC(CCF)C(C)(C)N;MXIWYWRJFBLFGN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231904;MM231904;CCCC(CN)C(C)(C)N;NVYJVKKYITXIQL-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231905;MM231905;CCCC(CF)C(C)(C)N;JBIHTBNEOCKFQD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231906;MM231906;CC(C)(N)C(CF)CCF;ARQBRGPMYXWVFW-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231907;MM231907;CCC(CCN)C(C)(C)O;YCNXPBNUMZIDQE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231908;MM231908;CCCC(CN)C(C)(C)O;KFLMVZQZBNNDKS-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231909;MM231909;CCCC(CF)C(C)(C)O;CZQQQDWALSYDMS-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231910;MM231910;CC(C)(O)C(CF)CCN;RLVRZSUKGYNKIW-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231911;MM231911;CC(C)(O)C(CF)CCF;OEGVMYZPPYJPNP-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231912;MM231912;CC(C)(F)C(CN)CCN;HPFGXDCTLMLCMC-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231913;MM231913;CC(C)(F)C(CN)CCO;YJRAZTANZQLFOJ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231914;MM231914;CC(C)(F)C(CN)CCF;KANMHHKTNVFAJV-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231915;MM231915;CC(C)(F)C(CF)CCF;IFOKNWIMNVJRIL-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231916;MM231916;CCC(CCF)C(C)(F)F;UPROPXKOBHORFL-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231917;MM231917;CC(F)(F)C(CN)CCN;VJMYZQZHUHCUSR-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231918;MM231918;CC(F)(F)C(CF)CCN;GFYCPABFFBHIIJ-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231919;MM231919;CC(F)(F)C(CF)CCF;YKOKJMBFZPCLGQ-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231920;MM231920;NCCC(CN)C(F)(F)F;SYZMUZQFMPWRQF-UHFFFAOYSA-N;156.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231921;MM231921;CNCC(CN)C(C)(C)C;VWWWOHCLEXNVND-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231922;MM231922;CCC(CNC)C(C)(C)N;XROZBGLLARQTIO-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231923;MM231923;CCC(CNC)C(C)(C)O;AVGXPCMJUYWPKJ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231924;MM231924;CNCC(CF)C(C)(C)F;KUTJZPWSQUGBTN-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231925;MM231925;CNCC(CF)C(C)(F)F;TXZUVISPZXDGCP-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231926;MM231926;CNCC(CN)C(F)(F)F;DFFRYUCELNONHE-UHFFFAOYSA-N;156.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231927;MM231927;CNCC(CO)C(F)(F)F;CDPQDVJDQJIVMQ-UHFFFAOYSA-N;157.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231928;MM231928;COCC(CF)C(C)(C)N;HADREJWJGMFGOP-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231929;MM231929;COCC(CN)C(C)(C)O;ZURKTUANAOIRON-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231930;MM231930;COCC(CO)C(C)(F)F;NVPBWELSNPDXOP-UHFFFAOYSA-N;154.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231931;MM231931;COCC(CO)C(F)(F)F;KUXSZEPKLYEDMP-UHFFFAOYSA-N;158.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231932;MM231932;CNC(CCF)C(C)(C)C;JPIRORQYQRDELC-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231933;MM231933;CCCC(NC)C(C)(C)N;BPRSKXFJDMJSIZ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231934;MM231934;CCCC(NC)C(C)(C)O;WDJHYSFNIWMIBQ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231935;MM231935;CNC(CCN)C(C)(F)F;ZFTOCHVHHOWXSF-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231936;MM231936;CNCC(NC)C(C)(C)C;SLQDRCVAVAYISN-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231937;MM231937;COC(CCN)C(C)(C)O;PVCWLBAYXDEIST-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231938;MM231938;COC(CCO)C(C)(C)F;QMUJUOXGWOUCJO-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231939;MM231939;COC(CCO)C(C)(F)F;UOSHHHLXTSXYTN-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231940;MM231940;COC(CCO)C(F)(F)F;WCIMJAJANZOMOX-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231941;MM231941;CNCC(OC)C(C)(C)F;NXMMFVLFIDPIDZ-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231942;MM231942;CNCC(OC)C(C)(F)F;UHPXZEUOGDPXLK-UHFFFAOYSA-N;153.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231943;MM231943;COCC(OC)C(C)(C)F;IRCYLVARYRDBNW-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231944;MM231944;COCC(OC)C(C)(F)F;SEOQBNJXMDILQM-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231945;MM231945;COCC(OC)C(F)(F)F;OOJWWGPLCASHGK-UHFFFAOYSA-N;158.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231946;MM231946;CCNC(CC)C(C)(C)O;BWJQRJQJBKGZLU-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231947;MM231947;C=CC(=O)C1NC1(C)CO;DCDJENOJAFWSOR-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231948;MM231948;CCOC(CO)C(C)(C)F;RNAUHVWUHSHREA-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231949;MM231949;CCOC(OC)C(C)(C)F;VPDWFXPDLLCEJZ-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231950;MM231950;CCOC(OC)C(F)(F)F;GGBIWTOKCCYCHN-UHFFFAOYSA-N;158.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231951;MM231951;C=CCC(CN)C(C)(C)N;KAZIVFPXJGNQNB-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231952;MM231952;C=CCC(CF)C(C)(C)N;ABTFENBPXIEESM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231953;MM231953;C=CCC(CN)C(C)(C)O;HCKVVNZEBHFXTA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231954;MM231954;C=CCC(CO)C(C)(C)O;SGXNUBQBYBZRCE-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231955;MM231955;CC(C)(O)C(CO)CC#N;FJKDWTJCHCUHBA-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231956;MM231956;CC(C)(O)C(CF)CC=O;REHBGHHQIJSXBI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231957;MM231957;C=CCC(CN)C(C)(C)F;YKIITEOPCVOORB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231958;MM231958;C=CCC(CN)C(C)(F)F;XMWQSHRQLKODSJ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231959;MM231959;CC(F)(F)C(CO)CC=O;GBFZWWUZOPCACD-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231960;MM231960;C=CCC(NC)C(C)(C)N;JEZDKKVUJZPJMV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231961;MM231961;C=CCC(NC)C(C)(C)O;DFBZSAZJHFFVHT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231962;MM231962;CNC(CC=O)C(C)(C)O;PAFVIERIDKSTSX-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231963;MM231963;CNC(CC=O)C(C)(C)F;HYBJBMXRSVSOJD-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231964;MM231964;COC(CC#N)C(C)(C)F;SNRZDISZWHRRTM-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231965;MM231965;COC(CC#N)C(C)(F)F;JFURZDXOPSISLO-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231966;MM231966;COC(CC#N)C(F)(F)F;DMHPKKWULZSUAD-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231967;MM231967;CC(C)(N)C(CF)NC=N;LAWULONVNJXVMB-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231968;MM231968;CC(C)(O)C(CO)NC=O;PAGRYWSSSLJICF-UHFFFAOYSA-N;147.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231969;MM231969;CC(C)(O)C(CF)NC=O;PEIZTAQYTOMZIN-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231970;MM231970;CC(C)(F)C(CN)NC=N;NZMOGUZZRZBVKM-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231971;MM231971;CC(C)(F)C(CO)NC=N;OCQWZBUTQDTKKX-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231972;MM231972;CC(C)(F)C(CO)NC=O;XVXZAOHLRPWDCY-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231973;MM231973;CC(F)(F)C(CO)NC=O;KLPOTUVDIHJEQU-UHFFFAOYSA-N;153.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231974;MM231974;C=NNC(CC)C(C)(C)N;SEYVUTKATICJCO-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231975;MM231975;CC1(CO)CN1C(=N)C#N;VZDXRZLIPNPZDD-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231976;MM231976;CCC(OC=O)C(C)(C)N;HMIFPARNLJOHPD-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231977;MM231977;C=COC(CN)C(C)(C)O;DRKAEIQGGLSGMP-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231978;MM231978;C=COC(CO)C(C)(C)F;QMNDCTGRLIPDSF-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231979;MM231979;CC(F)(F)C(CO)OC=O;JLOYFSWRSYOYNL-UHFFFAOYSA-N;154.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231980;MM231980;C#CC(=C)C1NC1(C)CO;NGJHTCCQDCLJLQ-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231981;MM231981;COC(OC=O)C(C)(C)F;CJOLFIHBJXYNDB-UHFFFAOYSA-N;150.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231982;MM231982;C=COC(OC)C(C)(F)F;HUEJCMFWMIRLSK-UHFFFAOYSA-N;152.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231983;MM231983;COC(OC=O)C(C)(F)F;KJFGEHURTHCZEZ-UHFFFAOYSA-N;154.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231984;MM231984;C=COC(OC)C(F)(F)F;ZCCIVXJUVNUVAK-UHFFFAOYSA-N;156.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231985;MM231985;C=NOC(OC)C(C)(C)N;DUZDZLWCTGMJTI-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231986;MM231986;C#CC(=O)C1NC1(C)CO;IHIMPIUCYUDNOY-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231987;MM231987;C=NOC(OC)C(C)(C)F;JIJBEEILHJRTDN-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231988;MM231988;C=NOC(OC)C(C)(F)F;PUCJCLICPPLZFW-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231989;MM231989;CNC(=O)C1NC1(C)C#N;QRMOLYBHOSGBCZ-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231990;MM231990;C=NN(CC)CC1(O)CC1;RSPKUKYILMUCFH-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231991;MM231991;C#CCC(CN)C(C)(C)N;WGHMHMFMMZKITJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231992;MM231992;C#CCC(CO)C(C)(C)N;MYUXMOYEGMPMNE-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231993;MM231993;C#CCC(CF)C(C)(C)N;WOKCSNSSYQQVJP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231994;MM231994;C#CCC(CN)C(C)(C)O;KZINKVFBNIJSOV-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231995;MM231995;C#CCC(CO)C(C)(C)O;PLFIUKOMZKDFMU-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231996;MM231996;CC(C)(C)C(C=O)CCO;GHDWTTMAGDFQPX-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231997;MM231997;C=CC(CCC)C(C)(C)N;TZWKFMVAZWTPPK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231998;MM231998;CNN(C=O)CC1(O)CC1;VGXJNSXIWMFFAF-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM231999;MM231999;C=CC(CCO)C(C)(C)O;SJAJEGCIDAPWIX-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232000;MM232000;CCCC(C=O)C(C)(C)O;BAIOPFDADSLNIR-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232001;MM232001;CCCC(C#N)C(C)(C)O;KRBYORVRYBZUET-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232002;MM232002;CC(C)(O)C(C=O)CCF;DBJLSEJPQIDQNH-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232003;MM232003;CC(C)(O)C(C#N)CCF;HUEAPZUCDYJOBI-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232004;MM232004;CC(C)(F)C(C=O)CCF;ZENUQXOUXAOQPD-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232005;MM232005;C=CC(CCN)C(C)(F)F;SYMZWEKKPKZCBD-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232006;MM232006;CC(F)(F)C(C=O)CCO;FJVAKVBZYCPURT-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232007;MM232007;N#CC(CCO)C(F)(F)F;HNSGPAGGDVLZIG-UHFFFAOYSA-N;153.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232008;MM232008;C=CC(CNC)C(C)(C)C;HZHZLIBKHSBBOE-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232009;MM232009;C=CC(CNC)C(C)(C)O;QADAPCYZKQCPFM-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232010;MM232010;CNCC(C=O)C(C)(C)O;YGOCFDAMFMSVAM-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232011;MM232011;C=CC(CNC)C(C)(C)F;QQRDOKWXZWTOON-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232012;MM232012;CNCC(C=O)C(C)(C)F;QWRMJNOFUVCKPW-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232013;MM232013;C=CC(CNC)C(C)(F)F;SKMAUBKKNPAXDP-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232014;MM232014;C=CC(COC)C(C)(C)O;XKOALXOUAKMXGE-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232015;MM232015;COCC(C#N)C(C)(C)F;SHRKDLNEBDJHCL-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232016;MM232016;COCC(C#N)C(C)(F)F;GKVOSYLTRJIBDE-UHFFFAOYSA-N;149.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232017;MM232017;COCC(C#N)C(F)(F)F;NDCBQWDPKKOUEI-UHFFFAOYSA-N;153.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232018;MM232018;C=CC(NCC)C(C)(C)N;JVQNNAOFKOHCDB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232019;MM232019;C=CC(NCC)C(C)(C)O;JZOHYDDQMOVTSO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232020;MM232020;CCNC(C#N)C(C)(C)F;FIUKVHNWORWKEF-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232021;MM232021;CCNC(C#N)C(C)(F)F;XTBJFSWEVDYUEB-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232022;MM232022;CCNC(C#N)C(F)(F)F;CZLUWOLQADOWLJ-UHFFFAOYSA-N;152.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232023;MM232023;CCOC(C#N)C(C)(F)F;ANVRARBGVYSSBQ-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232024;MM232024;CCOC(C=O)C(F)(F)F;MWEVUGHTAMUPFE-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232025;MM232025;CCOC(C#N)C(F)(F)F;VHRQVUNZHBKPPQ-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232026;MM232026;C=NN(CCN)C(C)(C)C;NHNGZUDTWVJZKF-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232027;MM232027;CNC(C#N)COC(N)=O;HBDMGCPHWJOVPE-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232028;MM232028;CCNN(C=N)C(C)(C)C;HARJCCKJBPYWHB-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232029;MM232029;C=CC(CC=O)C(C)(C)C;WZEOIEXBCHFHJI-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232030;MM232030;C=CCC(C=C)C(C)(C)N;BALZIFLPJXJUMS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232031;MM232031;C#CC1(CO)CN(N=C)C1;HZWUBTIZXQBXJI-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232032;MM232032;C=CC(CC=O)C(C)(C)O;FXIHAEXIFYTDCY-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232033;MM232033;C=CCC(C=O)C(C)(C)O;WAEGIPQSSXKBHB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232034;MM232034;CC(C)(F)C(C#N)CC#N;XBCKAAFIWJSJCY-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232035;MM232035;CC(F)(F)C(C#N)CC#N;KSXXCHNKVDBBEU-UHFFFAOYSA-N;144.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232036;MM232036;N#CCC(C#N)C(F)(F)F;FPRXKCDLMLWDDN-UHFFFAOYSA-N;148.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232037;MM232037;CC(C)(C)C(C=O)NC=O;NFFGBQFGDFBVRN-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232038;MM232038;C=CC(NC=O)C(C)(C)O;OVYHHAUEJCFBHS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232039;MM232039;CC(C)(O)C(C=O)NC=O;OJBCBFABWAEGRN-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232040;MM232040;CC(C)(O)C(C#N)NC=O;ALERHBOOHXQDPN-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232041;MM232041;CC(C)(F)C(C=O)NC=O;ZAQMAGJVYBJWKK-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232042;MM232042;CC(C)(F)C(C#N)NC=O;QRQIXTHSNOPISU-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232043;MM232043;CCC1(CO)NC1C(C)F;IZRGWUMSUCYZEE-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232044;MM232044;COC(=O)CC1(CO)CN1;CIGKCMGQESELES-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232045;MM232045;C#CC(=O)CC1(CO)CN1;JDLKXCIJVKLBII-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232046;MM232046;C=COC(C#N)C(C)(C)O;VUNGCKMGRYBGJR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232047;MM232047;CC(C)(O)C(C=O)OC=O;BQFFGPGDGGYTBA-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232048;MM232048;C=COC(C#N)C(C)(C)F;FZXMQSWJLANHPB-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232049;MM232049;CC(C)(F)C(C#N)OC=O;RAPIYHIALJRAAC-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232050;MM232050;C=COC(C#N)C(C)(F)F;SQYTVCZUEIVWJX-UHFFFAOYSA-N;147.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232051;MM232051;CC(F)(F)C(C#N)OC=O;YTNXFDLWOGVPLW-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232052;MM232052;C=COC(C=O)C(F)(F)F;FGTCFMKEKUSZQC-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232053;MM232053;C=COC(C#N)C(F)(F)F;HCQVQYABDAYMEC-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232054;MM232054;C=NOC(C#N)C(C)(C)F;ZEGRMJKYNAKNHE-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232055;MM232055;C=NOC(C#N)C(C)(F)F;DYVXZTHSZMWZKX-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232056;MM232056;C=NOC(C#N)C(F)(F)F;ZTXXLVITEXPADZ-UHFFFAOYSA-N;152.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232057;MM232057;CC(C)(C)N(C=N)CC=O;SMYWSRYKFCGVJZ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232058;MM232058;N#CC12C=CC(CO)(C1)N2;ZXXJTGKSRRWLPT-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232059;MM232059;CC(C)(C)N(C=N)NC=N;WDEWYNAEFKWXGO-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232060;MM232060;C#CCC(C=O)C(C)(C)O;KZOMFNGCSGAFES-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232061;MM232061;C#CC(CCN)C(C)(C)N;OLCLQRUJFDVWHI-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232062;MM232062;C#CC(CCF)C(C)(C)N;UXNJMJQMMVDIKK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232063;MM232063;C#CC(OCC)C(F)(F)F;FMRGJQHAMFXSOE-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232064;MM232064;OCC12CCC(F)(F)C1N2;YGSALRIZAZUOGL-UHFFFAOYSA-N;149.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232065;MM232065;C#CC(NC=O)C(C)(C)N;VNWPMRYVLAPFHK-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232066;MM232066;C#CC(NC=N)C(C)(C)O;DBDDQGBNISJEAX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232067;MM232067;C#CC(NC=O)C(C)(C)O;SQJMWMRJIYTZMN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232068;MM232068;C#CC(NC=N)C(C)(C)F;LNCLPUYYGMEWSR-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232069;MM232069;C#CC(OC=C)C(C)(C)N;VAFXOAVAHHGVMS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232070;MM232070;C#CC(OC=O)C(C)(C)N;PCRATBVSZCNUHZ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232071;MM232071;C#CC(OC=C)C(C)(C)O;RNDLCEHTJFHBLT-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232072;MM232072;C#CC(OC=C)C(F)(F)F;OZSWTOPVXGESCB-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232073;MM232073;C#CC(ON=C)C(C)(C)N;MQNNBKSXWCVSCD-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232074;MM232074;C#CC(ON=C)C(C)(F)F;CYNPHVPZBHPNON-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232075;MM232075;CCC(C=CF)C(C)(C)N;ISPSRUAHIDEKPE-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232076;MM232076;CC=CC(CN)C(C)(C)N;UCMDSYQXCYNUJZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232077;MM232077;CC=CC(CF)C(C)(C)N;LKMPLCYDGOAHFO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232078;MM232078;CC(C)(N)C(C=CF)CF;KAFYFOFCUMTLQP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232079;MM232079;CCC(C=CF)C(C)(C)O;YTQPNHGFJHXDNU-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232080;MM232080;CC=CC(CF)C(C)(C)O;PXDBDXWPJJNUPK-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232081;MM232081;CC(C)(O)C(C=CF)CF;FYXPKCZKFLYWGD-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232082;MM232082;CC(C)(F)C(C=CF)CN;ZQAYJBRAKSDPLV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232083;MM232083;CC(F)(F)C(C=CF)CN;GQAUCIWICYARTK-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232084;MM232084;CC(C)(C)C(C=NN)CF;MCNHWKNNLQDSQE-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232085;MM232085;CCC(C=NO)C(C)(C)N;XFWWPEHEKDVVFJ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232086;MM232086;CC(C)(N)C(C=NO)CF;BOQYAONMEDIPLQ-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232087;MM232087;CC(C)(O)C(C=NO)CO;QRTCMTUVYVVWCI-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232088;MM232088;C=NNCC(O)CC=NN;WYOUCNIOZHCLST-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232089;MM232089;CNC(C=CF)C(C)(C)C;YRMHILDBLUMNQZ-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232090;MM232090;CC=CC(NC)C(C)(C)N;OTOHXKNDBZSMEA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232091;MM232091;CC=CC(NC)C(C)(C)O;KKSIONMGAGSOFM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232092;MM232092;CNC(C=CF)C(C)(C)O;XSPBOXIHHVUXIJ-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232093;MM232093;COC(C=CF)C(C)(C)N;DAYCQRWZRKQWAD-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232094;MM232094;COC(C=NN)C(C)(C)F;KODFLVASVMGVOM-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232095;MM232095;COC(C=NN)C(C)(F)F;KVBWUMULXMZLQC-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232096;MM232096;FCc1nn[nH]n1;DGVJUEVUFNLPIO-UHFFFAOYSA-N;102.07;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232097;MM232097;COC(C=NN)C(F)(F)F;QDUBXGSJUOQZHJ-UHFFFAOYSA-N;156.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232098;MM232098;CC#Cc1cc(O)n(O)n1;BIRZIUAMHBUASR-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232099;MM232099;CN=CN(NC)C(C)(C)C;LXUBMRADLPWDCP-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232100;MM232100;CC(C)(C)C(C=O)C=CF;HEAPUVWMXJALLM-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232101;MM232101;C=CC(C=CC)C(C)(C)N;IKSMDOAKTFUGEX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232102;MM232102;C=CC(C=CF)C(C)(C)N;GVIFYKLIPKPNFV-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232103;MM232103;C=CC(C=CF)C(C)(C)O;ANQFGFUGFNBTCS-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232104;MM232104;CC=CC(C=O)C(C)(C)O;HVGPPHOKRWGWTB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232105;MM232105;CC(C)(O)C(C=O)C=CF;BSMWYHHZUZCEGZ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232106;MM232106;COC=C(CO)N(N)C=O;WMMNNJVXHXPNIB-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232107;MM232107;C#Cc1cc(O)n(O)n1;QSCQMSUZHYLAOO-UHFFFAOYSA-N;124.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232108;MM232108;NN=c1[nH]c(O)cc(=O)o1;OTBQRDHHHCIRFW-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232109;MM232109;C=NN(C=NC)C(C)(C)C;SMRJYRCGZFTPSJ-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232110;MM232110;C#CC(C=CF)C(C)(C)N;ZUTULBYUBHSGFP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232111;MM232111;C#CC(C=CF)C(C)(C)O;BHARIZAWQVLOLQ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232112;MM232112;CC#CC(CN)C(C)(C)N;KJWSXNPEJPNMOL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232113;MM232113;CC#CC(CF)C(C)(C)N;XGQVHMDPFPJXNX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232114;MM232114;CC#CC(OC)C(C)(F)F;GUDFDEKZRPDPSZ-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232115;MM232115;CC=C(CCN)C(C)(C)N;PYGCPFJTPAFZSF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232116;MM232116;CC=C(CCO)C(C)(C)N;YLQCGLKOUZSROJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232117;MM232117;CC=C(CCF)C(C)(C)N;LDURIGFHMXMADP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232118;MM232118;CC(C)(N)C(=CF)CCF;WPOWWHXPISOKHP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232119;MM232119;CC=C(CCF)C(C)(C)O;CQOUPTTYRIWLIQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232120;MM232120;CC(C)(O)C(=CF)CCF;YLNMAOABCXYWDX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232121;MM232121;CC(C)(F)C(=CF)CCN;JTXMGBSDQWVIRV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232122;MM232122;CC(F)(F)C(=CF)CCN;HZHIZQAARNPOOU-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232123;MM232123;CC=C(CNC)C(C)(C)N;FYXMFGLKZDZGSZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232124;MM232124;CNCC(=CF)C(C)(C)F;RDGPOSTZFMTWCA-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232125;MM232125;COCC(=CF)C(C)(C)O;LBZYIYGJROWLBV-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232126;MM232126;CCCC(=NO)C(C)(C)N;UURHYQVXPQCVJS-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232127;MM232127;C#CC(=N)N(NC)C(N)=O;HAMYIDVPEDAEEU-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232128;MM232128;COCC(=NN)C(C)(C)F;ALVQKISLBGOOKN-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232129;MM232129;COCC(=NN)C(C)(F)F;GXKLMTPEZPYXDC-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232130;MM232130;CN=c1[nH]oc(=O)c(=O)o1;RTKQVYCIMHHYLX-UHFFFAOYSA-N;144.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232131;MM232131;N=CN=c1nc(O)n(O)o1;DBMOQULMPQSMHC-UHFFFAOYSA-N;144.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232132;MM232132;C#CC(CO)N(CC)N=C;YTNJKSZJSFNMPC-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232133;MM232133;C#CC(CO)NN=CCF;MLDAHHJJRYUHAK-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232134;MM232134;CNN=C(NC)C(C)(C)N;HFJLIZFVUDJEPU-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232135;MM232135;CNN=C(NC)C(C)(C)O;UUPMPONRFQGTSX-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232136;MM232136;C#CC1(CO)CC1ON=C;ILTTZALEFGIXME-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232137;MM232137;O=CN1CC2CC2(CO)N1;KDIWYTISHWGAGG-UHFFFAOYSA-N;142.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232138;MM232138;CON=C(NN)C(C)(C)C;HPLBWBPPULGWDB-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232139;MM232139;NN=C1CC2NC2(CO)C1;CRGSYLRZYZOFBT-UHFFFAOYSA-N;141.17;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232140;MM232140;CNC(=NOC)C(C)(C)N;MYRHNSREHKIVDX-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232141;MM232141;CNC(=NOC)C(C)(C)F;CORJRUDGNQLWSF-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232142;MM232142;CC=C1CN2CC2(CO)C1;SUTHXLMCJKDGBX-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232143;MM232143;OCC12CC(=CF)CN1C2;WOKKRQSXKAUNSV-UHFFFAOYSA-N;143.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232144;MM232144;N=c1nc2onncc-2[nH]1;ATICYGOUYGCUME-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232145;MM232145;C=C1C(C)CC2(CO)NC12;OLHLCVXRLWHALM-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232146;MM232146;N=c1oc(F)c(O)n1N;MIFHHFVTASXAAJ-UHFFFAOYSA-N;133.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232147;MM232147;CCOC(=NN)C(F)(F)F;DPQXSONEIHLWBN-UHFFFAOYSA-N;156.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232148;MM232148;CCc1oc(=O)n(O)c1O;LDSKJIJDSJTQLH-UHFFFAOYSA-N;145.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232149;MM232149;CC=C(CC=O)C(C)(C)O;VRTPSVIBZRZILA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232150;MM232150;C=CCC(=CF)C(C)(C)O;PNYRRTNFJBBWLC-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232151;MM232151;O=c1nc(O)oc(=NO)[nH]1;OKFPUDDHCKSOBM-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232152;MM232152;CC(C)OCCC(=O)O;DVNBASXKSCNLKQ-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232153;MM232153;COC(C)C(C)(C)C(=O)O;KNTOAFJRXTVKII-UHFFFAOYSA-N;146.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232154;MM232154;O=CNC(=CF)C(F)(F)F;GOLBRTWNXDZACJ-UHFFFAOYSA-N;157.07;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232155;MM232155;CC1=NNC2(CO)CC1C2;MDMFBFGMCXJDPH-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232156;MM232156;CC(C)(C)C(=NN)NC=N;HALWAZGEDAKIFN-UHFFFAOYSA-N;142.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232157;MM232157;CC(C)(O)C(=NN)NC=O;YNFIFWSUAFKMJN-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232158;MM232158;CC(C)(O)C(=NO)NC=O;GOMBVYUDUNBWKF-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232159;MM232159;OCC12CC3CC3(F)C1N2;RQYLWPKVTODZOQ-UHFFFAOYSA-N;143.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232160;MM232160;CC(C)(F)C(=NN)NC=O;VJHZWYIOAAJGSS-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232161;MM232161;C=CNC(=NN)C(F)(F)F;MWCFENNPJXKLDJ-UHFFFAOYSA-N;153.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232162;MM232162;CCOCC(C)(C)C(=O)O;NCRPBEZFYSLGGS-UHFFFAOYSA-N;146.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232163;MM232163;CC12OC1CC1(CO)NC12;WANUKLFZQQCAEW-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232164;MM232164;COC1CCC2(CO)NC12;NHBJHGQERBBXFT-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232165;MM232165;CC=C1CCC2(CO)NC12;YJKAWNNRZNJNED-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232166;MM232166;Cn1[nH]cc(C#N)c1=O;NATKNIZHMKMNSV-UHFFFAOYSA-N;123.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232167;MM232167;OCC12CCC(=CF)C1N2;DNEIDXCAGRVJRZ-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232168;MM232168;CC(F)(F)C(=NN)OC=O;XVBNQFIBGZCXNL-UHFFFAOYSA-N;152.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232169;MM232169;Cc1nc(=O)o[nH]1;RKRLQDJTVWZXMM-UHFFFAOYSA-N;100.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232170;MM232170;C=COC(=NN)C(F)(F)F;FNRWUUMAWWUXOO-UHFFFAOYSA-N;154.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232171;MM232171;CCC=CC(O)CC(=O)O;ODZHRUACTWYAEF-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232172;MM232172;CCC1(CO)NC1C1CO1;YIZGAHOCLJHVQJ-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232173;MM232173;O=C1CC(=NO)ON1;MJMGMNUMYNCNHA-UHFFFAOYSA-N;116.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232174;MM232174;Cc1cc(N)[nH]c1F;CKMRJWXTLIPIOO-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232175;MM232175;Nc1noc(=O)[nH]c1=O;UNLNCFNUMIZSIB-UHFFFAOYSA-N;129.08;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232176;MM232176;CC1(CO)NC1CF;AHOPCRBFBITGAS-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232177;MM232177;CC=CC(=CF)C(C)(C)N;NYBOPLPUGUUDMT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232178;MM232178;CC(C)(N)C(C=CF)=CF;IWAACZVJALAAMM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232179;MM232179;CC=C(C=NO)C(C)(C)N;LGMVJJACZOJFSI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232180;MM232180;C=CC1NC1(C)CO;CDNSBQNPWOIACP-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232181;MM232181;C=NNCC1(O)CC1;LTTZJAQEDDLHSA-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232182;MM232182;CC=CC(=NO)C(C)(C)N;FDSMWDNIYBQKHX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232183;MM232183;NC=Cc1cn[nH]c1;ORERKTLRBRUSGN-UHFFFAOYSA-N;109.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232184;MM232184;NC=CC(=NN)C(F)(F)F;CYQSVJWSCHFJBC-UHFFFAOYSA-N;153.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232185;MM232185;CC#Cc1cn[nH]c1;RMYQHHAMJSRPFF-UHFFFAOYSA-N;106.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232186;MM232186;Cn1cc(F)c(O)n1;IDWJCTNCPDODOE-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232187;MM232187;Oc1cc(O)n(O)n1;YZVOPRPLQYFSQL-UHFFFAOYSA-N;116.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232188;MM232188;CCC(=CCO)C(C)(C)N;VCBSAUVRHMGOBY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232189;MM232189;CC(C)(N)C(=CCF)CO;VATHLZILUXJEGR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232190;MM232190;CC(C)(N)C(=CCO)CF;HFOCENDHYXUCBY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232191;MM232191;CCC=C(CN)C(C)(C)O;BYADNYRPPGTEJA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232192;MM232192;CC(C)(O)C(=CCO)CO;ZEEORUDUFOSKBG-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232193;MM232193;CC(C)(F)C(=CCN)CN;AMWCMRNXAMITRN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232194;MM232194;CC(F)(F)C(=CCN)CN;GNVXGXCPLKUPNS-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232195;MM232195;CC(F)(F)C(=CCN)CO;GTIAPVREALNDKI-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232196;MM232196;COC=C(CN)C(C)(C)N;DITGROVPTLVKFQ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232197;MM232197;COC=C(CO)C(C)(C)F;RXQJYCBPZZCUDX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232198;MM232198;COC=C(CO)C(C)(F)F;POBDBJMIVZFNPP-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232199;MM232199;COC=C(CO)C(F)(F)F;DCSZQHNGMOOQBL-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232200;MM232200;COC(=CCN)C(C)(C)F;QIMDLKJMYJFFPE-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232201;MM232201;COC(=CCO)C(C)(C)F;UUKHYOVBUDPDTR-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232202;MM232202;COC(=CCO)C(C)(F)F;LGZVHRKIJQURCU-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232203;MM232203;COC(=CCO)C(F)(F)F;SMZRHKVWVRTNGW-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232204;MM232204;COC=C(OC)C(C)(C)C;RJNHUVHLPLNAKR-UHFFFAOYSA-N;144.21;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232205;MM232205;COC=C(OC)C(C)(C)N;WEGXPKVMRMUUGJ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232206;MM232206;COC=C(OC)C(C)(C)O;REDRAFFINXVEGB-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232207;MM232207;COC=C(OC)C(C)(C)F;PCSIQPZTCKIGAD-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232208;MM232208;COC=C(OC)C(C)(F)F;AHDJLCBJZBZYPY-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232209;MM232209;COC=C(OC)C(F)(F)F;MVYNANMZRKZEGT-UHFFFAOYSA-N;156.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232210;MM232210;CC(F)C1NC1(C)CO;ONWBWBQOYMMXEV-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232211;MM232211;CNN=C(CF)C(F)(F)F;LLCJMZPGEYWRON-UHFFFAOYSA-N;158.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232212;MM232212;CCC(=NOC)C(C)(C)N;GZGNVLKVIYKOCB-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232213;MM232213;CON=C(CO)C(C)(F)F;PIYYRYAXBIKIGC-UHFFFAOYSA-N;153.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232214;MM232214;CON=C(CO)C(F)(F)F;LMNBWUQTMZKYQQ-UHFFFAOYSA-N;157.09;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232215;MM232215;CON=C(CF)C(F)(F)F;ZQNRNJTUNIVYMX-UHFFFAOYSA-N;159.08;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232216;MM232216;CC1(CO)NC1C(F)F;JFCVRWGMBMVECQ-UHFFFAOYSA-N;137.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232217;MM232217;C=C(C)C1NC1(C)CO;YGZYBCCYWLHCCJ-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232218;MM232218;CON=C(OC)C(C)(C)F;ZQLSXMCRIYSUJL-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232219;MM232219;CON=C(OC)C(C)(F)F;JDUYZUWCPVEQFC-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232220;MM232220;CON=C(OC)C(F)(F)F;GADXQEDEHRCVHR-UHFFFAOYSA-N;157.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232221;MM232221;C=CC=C(CN)C(C)(C)N;UDBSCHKPMRRONE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232222;MM232222;CCC(=CC#N)C(C)(C)O;KCGIRXIDBVYYRL-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232223;MM232223;CC(C)(O)C(=CC#N)CO;YHFUXHOQIAOHRL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232224;MM232224;CC(C)(O)C(=CC=O)CF;YGWSEPSCLYUBKH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232225;MM232225;CNC(=CC#N)C(F)(F)F;XFRLBKVISGLDPE-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232226;MM232226;COC(=CC#N)C(C)(C)O;AAVGNPWSWCGJQO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232227;MM232227;COC(=CC#N)C(C)(C)F;AGEOHJNRPPQIDC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232228;MM232228;COC(=CC#N)C(C)(F)F;YECZOYCTPBGAGA-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232229;MM232229;COC(=CC#N)C(F)(F)F;CAHZHQCSUXSUDE-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232230;MM232230;C=NN=C(CC)C(C)(C)N;MWUJQBZGUMLGPV-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232231;MM232231;C=NN=C(CN)C(C)(C)N;SFHWPVNMNWMOOS-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232232;MM232232;C=NN=C(CO)C(C)(C)F;IZSRBHPWQUMQFP-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232233;MM232233;C=NN=C(CO)C(C)(F)F;CTWAXZKJAQFRMI-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232234;MM232234;C=NN=C(CO)C(F)(F)F;YQBUBINDLYNTAU-UHFFFAOYSA-N;154.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232235;MM232235;C=NN=C(OC)C(C)(C)O;MEQCZKKSYNMZIK-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232236;MM232236;C=NN=C(OC)C(C)(C)F;CLIONXBKMOQNOQ-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232237;MM232237;C=NN=C(OC)C(C)(F)F;YPAVCAJTWCOTRI-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232238;MM232238;C=NN=C(OC)C(F)(F)F;CHVOCPGWWBIQHH-UHFFFAOYSA-N;154.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232239;MM232239;C#CC=C(CN)C(C)(C)N;OWQNVSFQKQXCLT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232240;MM232240;C#CC=C(OC)C(C)(F)F;GMKPYPOSEGTTLD-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232241;MM232241;C#CC=C(OC)C(F)(F)F;RBURXVRNBQAPLX-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232242;MM232242;C=CC(=CCO)C(C)(C)N;YQZCNBUVFMAWTN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232243;MM232243;C=CC(=CCO)C(C)(C)O;FPZFVQNHZPVSAO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232244;MM232244;N#CC(=CCO)C(F)(F)F;HUVIYLRMMVCOLZ-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232245;MM232245;CNC=C(C=O)C(C)(C)C;QQTYXKXTANUBGF-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232246;MM232246;COC=C(C#N)C(C)(F)F;NTAYBJYWGUVHSZ-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232247;MM232247;COC=C(C#N)C(F)(F)F;IIZKONMPZKIQRK-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232248;MM232248;CC=NNCC1(O)CC1;ZGUIQOHQJUALLX-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232249;MM232249;CNN=C(C#N)C(C)(F)F;NOBNOCROWIWWKM-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232250;MM232250;CNN=C(C#N)C(F)(F)F;YHDILPLVQXZCLB-UHFFFAOYSA-N;151.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232251;MM232251;CON=C(C=O)C(C)(C)F;JAPFNUSYXAMSON-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232252;MM232252;CON=C(C#N)C(C)(C)F;OBZNDPKJDJNNJL-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232253;MM232253;CON=C(C#N)C(C)(F)F;LAXNXWPNJLBVFX-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232254;MM232254;CON=C(C#N)C(F)(F)F;YHTGPZKZPMGEPW-UHFFFAOYSA-N;152.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232255;MM232255;CC(C)(O)C(C=O)=CC=O;GFFXHLDKOCSAGB-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232256;MM232256;N#CC(=CC=O)C(F)(F)F;FSWJKZRCQWSGQF-UHFFFAOYSA-N;149.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232257;MM232257;N#CC=C(C=O)C(F)(F)F;ASXJUCUAPKIDKV-UHFFFAOYSA-N;149.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232258;MM232258;N#CC=C(C#N)C(F)(F)F;NHCRBMZNHWLZHG-UHFFFAOYSA-N;146.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232259;MM232259;C=NN=C(C=O)C(C)(F)F;DWZSDAZZWJUPLP-UHFFFAOYSA-N;148.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232260;MM232260;C=NN=C(C#N)C(C)(F)F;PZJAYDXWFRJOGK-UHFFFAOYSA-N;145.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232261;MM232261;C=NN=C(C=O)C(F)(F)F;DRRAJLKKGVFOAV-UHFFFAOYSA-N;152.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232262;MM232262;C=NN=C(C#N)C(F)(F)F;BPFXNVJVJANLNG-UHFFFAOYSA-N;149.08;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232263;MM232263;C#CC=C(C#N)C(F)(F)F;ZLMYMJHBQSLYDK-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232264;MM232264;C#CC(=CCF)C(C)(C)O;YKDOTZIJVRKCLL-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232265;MM232265;C#CC(=NNC)C(C)(C)F;SRDKWYRKGNYMPF-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232266;MM232266;C#CC(=NOC)C(F)(F)F;WJQSAELFHUIDPK-UHFFFAOYSA-N;151.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232267;MM232267;C#CC(=NN=C)C(F)(F)F;ZXIOPPFWRMVEBE-UHFFFAOYSA-N;148.09;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232268;MM232268;COCC1NC1(C)CO;SNFIPHBJUYCLNW-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232269;MM232269;CC(C)(C)CCCCCF;ZIWWYMHJMIINNP-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232270;MM232270;CC(C)(N)CCCCCN;YPKYLZFGWKOVDZ-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232271;MM232271;CC(C)(N)CCCCCO;KUHVJJGFSLJFNC-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232272;MM232272;CC(C)(N)CCCCCF;FIWCRTGSUBYIQK-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232273;MM232273;CC(C)(O)CCCCCN;GYEXXERLGUUFNJ-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232274;MM232274;Cc1[nH]c(CO)cc1N;YBTPKUNEUCJCLW-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232275;MM232275;CC(C)(F)CCCCCN;MGKJZYPZTKCCAB-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232276;MM232276;CC(F)(F)CCCCCF;JPTSZUKGBPSZQU-UHFFFAOYSA-N;154.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232277;MM232277;CCCCCCC(F)(F)F;JWNUWKGVARYVKY-UHFFFAOYSA-N;154.18;3.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232278;MM232278;CNCCCCC(C)(C)N;HONCYZHTOZHPQP-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232279;MM232279;CNCCCCC(C)(C)O;VFJVIBZHVLJUNZ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232280;MM232280;CNCCCCC(C)(F)F;ZQJUSARVSFJUKY-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232281;MM232281;CCNCCCC(C)(C)C;SVCIGNYCYRPDKX-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232282;MM232282;CCNCCCC(C)(C)N;LTUZOOMQHNIHTI-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232283;MM232283;CCNCCCC(C)(C)O;OYEOFVZMMKHAIW-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232284;MM232284;CCNCCCC(C)(F)F;ZUVJORPVQIELPC-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232285;MM232285;CCOCCCC(C)(C)N;BZIDMBZFVLLIHA-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232286;MM232286;CCOCCCC(C)(C)O;FPGJALRDWUAPEM-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232287;MM232287;CC(C)(C)CCNCCN;LFLCIFXUHRVVKG-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232288;MM232288;CC(C)(C)CCNCCF;WEUSKSSWWGHDTM-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232289;MM232289;CCCNCCC(C)(C)N;NZPKDAWJEBBMPV-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232290;MM232290;CCCNCCC(C)(C)O;QIMIUVLKMKTXHD-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232291;MM232291;CC(C)(F)CCNCCN;UUBNXSAEDSFMFQ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232292;MM232292;CC(C)(F)CCNCCF;MNXRREMZTNOLKH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232293;MM232293;CCCNCCC(C)(F)F;CQPRAYCNLKXCIO-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232294;MM232294;CC(F)(F)CCNCCN;FMXGDEXDKFPNNE-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232295;MM232295;CCCNCCC(F)(F)F;LKHAJUQMQNCMOH-UHFFFAOYSA-N;155.16;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232296;MM232296;CC(C)(C)CCOCCN;VEGUVYJOAPADOI-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232297;MM232297;CC(C)(C)CCOCCO;DJSOHBSAMRZTHS-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232298;MM232298;CCCOCCC(C)(C)N;MHIBFEUWYVBCPX-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232299;MM232299;CCCOCCC(C)(C)O;XJFBXJUNSYBPKT-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232300;MM232300;CC(C)(O)CCOCCN;KEDODZDWHBKVTQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232301;MM232301;CCCOCCC(C)(C)F;FTHZVYPVKRYFOT-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232302;MM232302;NCCOCCC(F)(F)F;QLNRHOVDUIEHJV-UHFFFAOYSA-N;157.14;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232303;MM232303;COCOCCC(C)(C)F;VSZYINKKQRYXNQ-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232304;MM232304;CCCCNCC(C)(C)C;WFFKAFKKNDAFSH-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232305;MM232305;CCCCNCC(C)(C)N;IZOIUMAFKSABTQ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232306;MM232306;CCCCNCC(C)(C)O;LHLUJSHZXBEIIL-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232307;MM232307;CC(C)(F)CNCCCF;MICUCBPYFVPJKA-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232308;MM232308;NCCCNCC(F)(F)F;LINUZFDLGWCGBG-UHFFFAOYSA-N;156.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232309;MM232309;CNCCNCC(C)(C)C;SAOUNAAKHHZSJO-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232310;MM232310;CC(C)(N)COCCCF;ZCAXBIZGTCQMLG-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232311;MM232311;CC(C)(O)COCCCF;NJUVQBIRNJPUAD-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232312;MM232312;CC(C)(F)COCCCO;XIGDTWSARNERQI-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232313;MM232313;CC(F)(F)COCCCO;GRDBJZZXDOUZGX-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232314;MM232314;OCCCOCC(F)(F)F;RARMGHAEERVMCW-UHFFFAOYSA-N;158.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232315;MM232315;CNCCOCC(C)(F)F;RGVYBMHJEUTXKC-UHFFFAOYSA-N;153.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232316;MM232316;CNCCOCC(F)(F)F;ATCUGNZLEILVFK-UHFFFAOYSA-N;157.14;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232317;MM232317;COCCOCC(C)(C)F;GMOXDJIHSILXLY-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232318;MM232318;COCCOCC(C)(F)F;VOODPANYGZLZFK-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232319;MM232319;COCCOCC(F)(F)F;QJATYOOHKWMKNP-UHFFFAOYSA-N;158.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232320;MM232320;CCOCOCC(C)(C)F;RBAQNNFQJRTWAI-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232321;MM232321;CCOCOCC(C)(F)F;KTHREUXPDIKOBX-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232322;MM232322;CCOCOCC(F)(F)F;CFZCIMASBVYOEE-UHFFFAOYSA-N;158.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232323;MM232323;CNCCCNC(C)(C)C;HMZPFQIVMODIQI-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232324;MM232324;CC(C)(C)OCOCCN;QOXHTAMYCHPFAW-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232325;MM232325;CC(C)(C)OCOCCO;MSYPVOQETSBMJI-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232326;MM232326;COCOCOC(C)(C)C;ZJPGHMNRRJGZMY-UHFFFAOYSA-N;148.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232327;MM232327;CC(C)(C)CCCCC=O;CBUWTGCATVNMJE-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232328;MM232328;CC(C)(C)CCCCC#N;WMFRMVOTRRSESN-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232329;MM232329;C=CCCCCC(C)(C)N;PASYMVBGGXBHNG-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232330;MM232330;CC1CCC2(CO)CN12;VAONCMPHGUSZFD-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232331;MM232331;CC1(CO)NC1C1CO1;KZYRQMJFRPGUTO-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232332;MM232332;OCC12CC3CC3N1C2;PDJUSNOIFVVGSC-UHFFFAOYSA-N;125.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232333;MM232333;O=CCCCCC(F)(F)F;ROPVFIIARWCNCH-UHFFFAOYSA-N;154.13;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232334;MM232334;CC(C)(C)CCCNC=N;BDUZLFFRMUFSFL-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232335;MM232335;CC(C)(N)CCCNC=N;AXSBABRCXHEFMQ-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232336;MM232336;CC(C)(O)CCCNC=O;VMCWNYVOCADOCB-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232337;MM232337;C=NNCCCC(C)(C)C;WMYHNMNGODHAKS-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232338;MM232338;C=CCNCCC(C)(C)C;OWNCJKZFXSNWAH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232339;MM232339;CC(C)(C)CCNCC#N;MXLFTJDWPIZLFE-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232340;MM232340;C=CCNCCC(C)(C)O;ZXUPECNHXRQNMN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232341;MM232341;C=CCNCCC(C)(C)F;CZMZBWKHYMSPSY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232342;MM232342;CC(C)=NNC(C)(C)CO;HEJOVAPBXDCWDK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232343;MM232343;CC(C)(N)CCNNC=O;UJPCQSSCOHTNQA-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232344;MM232344;CC(C)(O)CCNNC=N;NDXHXYGZFRFCLG-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232345;MM232345;CC(F)(F)C1NC1(C)CO;XYTKOECMCIJABB-UHFFFAOYSA-N;151.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232346;MM232346;C=CCOCCC(C)(C)C;IFVUDALIZFAVRR-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232347;MM232347;CC(C)(C)CCOCC=O;FXVCQJBQNSMFTH-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232348;MM232348;C=CCOCCC(C)(C)N;FYPLMLPIXPIJBU-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232349;MM232349;C=CCOCCC(C)(C)O;RCICQRBJTKWIHL-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232350;MM232350;CC(C)(F)CCOCC#N;GSRURUQJBOZDEK-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232351;MM232351;CC(F)(F)CCOCC=O;JYYSVVXICCVHRD-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232352;MM232352;CC(F)(F)CCOCC#N;BBULKLGADOMUKI-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232353;MM232353;N#CCOCCC(F)(F)F;SYPNTCFWTKRLNM-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232354;MM232354;CC(C)(N)CCONC=N;XEEXGTLVSMXODA-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232355;MM232355;CC(C)(O)CCONC=O;DHKNOACZTDHLCR-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232356;MM232356;CC(F)(F)CCONC=O;ONEHIPKNXPGODU-UHFFFAOYSA-N;153.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232357;MM232357;O=CNOCCC(F)(F)F;RUIQNNZRGIUGLA-UHFFFAOYSA-N;157.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232358;MM232358;C=CCCNCC(C)(C)C;NFXFCLCLAUHENW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232359;MM232359;C=CCCNCC(C)(C)O;QIDBQSGABYASEG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232360;MM232360;CC(C)(F)CNCCC=O;UHBVFTZIQJWBFC-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232361;MM232361;CC(F)(F)CNCCC#N;KUXKDLQMDILHKD-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232362;MM232362;C=CCCOCC(C)(C)O;NMEVZJGQEWUEDB-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232363;MM232363;CC(C)(F)COCCC#N;ZNBJXSSWTMGLAA-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232364;MM232364;CC(F)(F)COCCC#N;WIMBFVPJHWVPBF-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232365;MM232365;N#CCCOCC(F)(F)F;QGICCSXJVXICAY-UHFFFAOYSA-N;153.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232366;MM232366;C=COCOCC(C)(C)F;GOTFXTAHQIBFDB-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232367;MM232367;C=COCOCC(C)(F)F;HMZFJBKTIKQZLO-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232368;MM232368;CC(F)(F)COCOC=O;HDYZUFANSRQLRK-UHFFFAOYSA-N;154.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232369;MM232369;C=COCOCC(F)(F)F;GQTPCTNLNNGXGI-UHFFFAOYSA-N;156.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232370;MM232370;O=COCOCC(F)(F)F;OVOIVUCXLAPPIX-UHFFFAOYSA-N;158.08;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232371;MM232371;C=NOCOCC(C)(F)F;UXISIYYHUVUNCH-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232372;MM232372;C=NOCOCC(F)(F)F;SLGYNHDHYSMYPW-UHFFFAOYSA-N;157.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232373;MM232373;C=CCCCNC(C)(C)C;HXZFARYBOKVKCX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232374;MM232374;CC(C)(C)NCCCC#N;IWZYOXDWWUUCLZ-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232375;MM232375;CC(C)(C)OCCCC#N;PQXITQQCRAFSOP-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232376;MM232376;CC(C)(C)OCCNC=N;VGAWQZNHAJDAQI-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232377;MM232377;C=NNCCOC(C)(C)C;CKVBOLHGIISTQN-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232378;MM232378;C=COCCOC(C)(C)C;ISVBFNQFNVSKOA-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232379;MM232379;CC(C)(C)OCOCC#N;IQXVBAWMBAVMOO-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232380;MM232380;CC(C)(C)OCONC=O;ALYCTOYASMMLHW-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232381;MM232381;CNN(C=O)C(C)(C)CO;YODSMPANDNZULT-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232382;MM232382;C#CCNCCC(C)(C)C;DGAHRXKRUBDFDB-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232383;MM232383;C#CCNCCC(C)(F)F;BNSDAOVVHFIDGS-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232384;MM232384;C#CCOCCC(C)(C)C;FNYXMFSUTIXTHH-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232385;MM232385;C#CCOCCC(C)(C)N;NNSUBPYNTSAACR-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232386;MM232386;C#CCOCCC(C)(C)O;MHYNDRDRAYJUJD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232387;MM232387;C#CCOCCC(C)(C)F;CTCBQZYCTCNUKG-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232388;MM232388;C#CCOCCC(F)(F)F;MOYKYWCHDSPACA-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232389;MM232389;C#CCCNCC(C)(C)C;VYEDBIDNIGZHMS-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232390;MM232390;C#CCCOCC(C)(C)C;SROUDYHNQVALNO-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232391;MM232391;C#CCCOCC(C)(C)O;VXAGZFQWBDPVBX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232392;MM232392;C#CCCCNC(C)(C)C;GWAAOMMEJBFOOP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232393;MM232393;C#CCCCOC(C)(C)C;UMVFFJWTEJVUFC-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232394;MM232394;CC=CCCCC(C)(C)C;INPFBIUZCAJFTO-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232395;MM232395;CC=CCCCC(C)(C)N;JALWQCRZCMOVRW-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232396;MM232396;CC(C)(N)CCCC=CF;MELMLLRARHVGJS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232397;MM232397;C=CC=NNC(C)(C)CO;BNVWEVJCHBJYQU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232398;MM232398;CC=CCCCC(C)(C)F;WKRQNDKZNWEICZ-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232399;MM232399;CC(C)(C)CCCC=NN;OXRWRKMTUMPJTL-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232400;MM232400;CC(CO)N=C(N)C(N)=O;LTYBDNRZUOZQLV-UHFFFAOYSA-N;145.16;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232401;MM232401;CC(F)(F)CCCC=NN;HGOXTJWXRJEUNP-UHFFFAOYSA-N;150.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232402;MM232402;CN=CNCCC(C)(C)N;JADRTPVIKZTSOV-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232403;MM232403;CC(C)(N)CCN=CNO;YFKSRKCESUOGLQ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232404;MM232404;CC(C)(O)CCN=CNN;MGWPUPDWFDXWPC-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232405;MM232405;CC(C)(F)CCN=CNN;YUUCKBJSGHJSQJ-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232406;MM232406;NN=CNCCC(F)(F)F;OTFFRKNINGOWCK-UHFFFAOYSA-N;155.12;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232407;MM232407;CC=NNCCC(C)(C)C;NIIQZUMSEKEKSG-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232408;MM232408;CC=NNCCC(C)(C)N;ZZOQRBZCFMKJTB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232409;MM232409;CC=NNCCC(C)(F)F;KSNMKWGEKUVDDC-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232410;MM232410;CC(C)(O)CCOC=CF;CRLPEWZJJYDSCI-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232411;MM232411;CC=COCCC(C)(C)F;QLEZDOLCQGCEIB-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232412;MM232412;ON=COCCC(F)(F)F;OKVSBJYEPXNSHO-UHFFFAOYSA-N;157.09;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232413;MM232413;CC=NOCCC(C)(C)C;VNSYEANEFYDWTN-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232414;MM232414;CC(C)(O)CNCC=CF;KLVDOIFVUINCSK-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232415;MM232415;CC(F)(F)CNCC=CF;GPNSOJOHAFTASB-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232416;MM232416;NN=CCNCC(F)(F)F;SJRJEXRMWMYGOK-UHFFFAOYSA-N;155.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232417;MM232417;CN=CNNCC(C)(C)C;JISNXCCGMQISJC-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232418;MM232418;CN=CNNCC(C)(C)N;HENLNRNHIQVVGD-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232419;MM232419;CC(C)(N)CNN=CNO;OONKMEFNBYZUJT-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232420;MM232420;CN=CNNCC(C)(C)O;QEYNYBPKMACJGE-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232421;MM232421;C#CCN(C=N)OC(N)=O;WXNXTEJLOFRHHV-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232422;MM232422;CC(C)(N)COCC=CF;GVUNGFXSKLEVAK-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232423;MM232423;CC(C)(N)COCC=NO;YSWBCMRGPNRFMU-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232424;MM232424;CNC(=NOC)OC(N)=O;CHOSYIQWDGKHFC-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232425;MM232425;CC(C)(O)COCC=NO;DGNVLICCYLEQEE-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232426;MM232426;CC(F)(F)COCC=NN;SWKQMBBRCYVBNK-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232427;MM232427;NN=CCOCC(F)(F)F;SFJNDJCXMZLRHB-UHFFFAOYSA-N;156.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232428;MM232428;CC(C)(C)CON=CNN;SKLPDKUJULMUTK-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232429;MM232429;CC(O)CON=CCCO;LBNZKDDCHCDDNX-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232430;MM232430;CN=CNOCC(C)(C)N;ICOIDJWVTIBEKH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232431;MM232431;CN=CNOCC(C)(C)O;CDVZLIYRRXUGSC-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232432;MM232432;CC(C)(F)CON=CNN;VHPFUNATJPHNFH-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232433;MM232433;CN=CNOCC(C)(F)F;QULBCEZVRQPKAY-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232434;MM232434;CN=CNOCC(F)(F)F;WEPNEUZBWWZLNB-UHFFFAOYSA-N;156.11;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232435;MM232435;CC=CCCNC(C)(C)C;LEXKKKRYTCVTKG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232436;MM232436;CC=NNCC(O)CCO;ZJRFJZOVVZVORA-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232437;MM232437;CC(C)(C)OCOC=NO;RPLZDIWVLVNPCW-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232438;MM232438;CC=NOCOC(C)(C)C;RSKBPODRMZZTOH-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232439;MM232439;CC#CCCCC(C)(C)C;ICAJDCOFEILSFB-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232440;MM232440;CC#CCCCC(C)(C)N;CNRYCODHUMKMTP-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232441;MM232441;CON(C=O)C(=N)N(C)O;FCOZYZPZUXKMER-UHFFFAOYSA-N;147.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232442;MM232442;CC#CCCCC(C)(C)F;IOQRKUXJHIHVNX-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232443;MM232443;CC#CCNCC(C)(C)N;WXKIKYQFBJBLJL-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232444;MM232444;CC#CCCNC(C)(C)C;QLFLASYMUVPPFX-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232445;MM232445;CC(C)(C)CCC=CCN;JPPJKMGNUUMPHK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232446;MM232446;CC(C)(C)CCC=CCO;ARBCBQAMBFDDRD-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232447;MM232447;CC(C)(N)CCC=CCO;VAVKIPNQRJCTIQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232448;MM232448;C=NN(C=O)C(=N)N(C)O;QTPXVOWMLOZDOF-UHFFFAOYSA-N;144.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232449;MM232449;CC(F)(F)CCC=CCN;KOCGHSZLOQHMFO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232450;MM232450;CCC=CCCC(F)(F)F;NVUXCFNCNLOREY-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232451;MM232451;CON=CCCC(C)(C)C;JOQZBDATBAUJHC-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232452;MM232452;CON=CCCC(C)(C)N;KCHDBXHREICXSK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232453;MM232453;CON=CNCC(C)(C)N;QHEAEEYZRQVQOH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232454;MM232454;N=C(NOCC=O)C(N)=O;WDNYBNPUJLMAPB-UHFFFAOYSA-N;145.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232455;MM232455;CON=CNCC(C)(C)F;FRATWARFJGSXRC-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232456;MM232456;CON=CNCC(C)(F)F;BUYGFQQGZQRBOI-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232457;MM232457;CC1(O)CC1N(C=N)C=O;NPVRKNRXYCIDAY-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232458;MM232458;CCC=NNCC(C)(C)N;BRLBQIXHGDVIJX-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232459;MM232459;CCC(F)C1NC1(C)CO;RODKIZUSMNLGPD-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232460;MM232460;CC1(CO)NC1C(F)CF;NDEAQZTZKYYAHY-UHFFFAOYSA-N;151.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232461;MM232461;CCC=COCC(C)(C)O;MHGOXGXUKIYXGS-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232462;MM232462;CC(C)(F)COC=CCN;IWQSYJXQSSCNQF-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232463;MM232463;CC(C)(F)COC=CCO;NOJKDHIDEGMHNM-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232464;MM232464;CC(F)(F)COC=CCN;CTCHVODIXASLEA-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232465;MM232465;CC(F)(F)COC=CCO;CGOMAOAINLMJEL-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232466;MM232466;OCC=COCC(F)(F)F;MIXVMEVOBRXXIH-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232467;MM232467;COC=COCC(C)(C)O;IOQTXKNNLNDCSV-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232468;MM232468;COC=COCC(C)(C)F;FNSSZBPCOVKQRU-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232469;MM232469;COC=COCC(C)(F)F;CAVXXHPLQKZJRO-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232470;MM232470;COC=COCC(F)(F)F;FKRIJVQMUNLXAE-UHFFFAOYSA-N;156.1;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232471;MM232471;C=CC(F)C1NC1(C)CO;ZRCXQFPSPLQHNC-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232472;MM232472;CON=COCC(C)(C)C;KUUAUBYKRVQYOG-UHFFFAOYSA-N;145.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232473;MM232473;CC1(CO)NC1C(F)C#N;IFKJVPPSXKNVGS-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232474;MM232474;CON=COCC(C)(C)F;SEQHSQCINAAYKU-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232475;MM232475;CON=COCC(C)(F)F;SMIRYDKSHTUUQH-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232476;MM232476;CON=COCC(F)(F)F;MRUUYSJSBJCAJO-UHFFFAOYSA-N;157.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232477;MM232477;CCC=NOCC(C)(C)C;NLQXSPJYCHKHHR-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232478;MM232478;C#CC(F)C1NC1(C)CO;CEHLVSBXNZDBQA-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232479;MM232479;CCC=NOCC(C)(C)N;JNVXSKJOJQCXEN-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232480;MM232480;CC(C)(N)CON=CCO;VZICSUAAUVCVGX-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232481;MM232481;C=C(CC)C1NC1(C)CO;IVSBHJZMENMTTJ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232482;MM232482;CC(C)(O)CON=CCN;JURVJQGLIFHYLU-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232483;MM232483;C=C(CF)C1NC1(C)CO;DFYQHRZXTOVUPL-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232484;MM232484;CC(F)(F)CON=CCN;KVPCDZCOUXCPLU-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232485;MM232485;C=CC(=C)C1NC1(C)CO;UPJGBARMPGKVLY-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232486;MM232486;CCC=NOCC(F)(F)F;HZUSGVVPSXZMHZ-UHFFFAOYSA-N;155.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232487;MM232487;COC=NOCC(C)(C)C;WBKPXEONWATUFG-UHFFFAOYSA-N;145.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232488;MM232488;C=C(C=O)C1NC1(C)CO;PPYOVTLHTIUXMH-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232489;MM232489;COC=NOCC(C)(C)F;PAOXLXJUDFIWGR-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232490;MM232490;COC=NOCC(C)(F)F;JVOANSLNJCJHKP-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232491;MM232491;COC=NOCC(F)(F)F;MQDAFHSHQPSQKG-UHFFFAOYSA-N;157.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232492;MM232492;CCN=CNNC(C)(C)C;BXUBCTMYBJOYLN-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232493;MM232493;CNN=CCOC(C)(C)C;DIEFOJAVHRXTIX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232494;MM232494;N#CC(=N)NC(CO)CO;LTXMFFIQNYRFNZ-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232495;MM232495;CON=CNOC(C)(C)C;UVIUBFIPGUHZPK-UHFFFAOYSA-N;146.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232496;MM232496;C=CC=CCCC(C)(C)C;DCRGAWKCYHDHNT-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232497;MM232497;CC(C)(C)CCC=CC=O;DWNQZIDBTRBWKK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232498;MM232498;CC(C)(C)CCC=CC#N;ZCUMSTAUXCWQTC-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232499;MM232499;C=CC=CCCC(C)(C)N;FFUQGLJMYWGIAM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232500;MM232500;C=CC1(CO)CC(C#N)N1;YQYWZHRRBBMROO-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232501;MM232501;CC(C)(F)CCC=CC#N;KUIBGEOOLCQRKL-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232502;MM232502;O=CC=CCCC(F)(F)F;OWYPEQNFJYUDHB-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232503;MM232503;C=NN=CCCC(C)(C)N;FXDRJALINSXWAZ-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232504;MM232504;CC(C)(C)CNC=CC#N;LMCSOOWLVLFQHB-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232505;MM232505;CC(F)(F)CNC=CC=O;QUGVCVFMXZLNLB-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232506;MM232506;CC(C)(C)CN=CNC=N;BHYQILBRPGQJGU-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232507;MM232507;CC(C)(N)CN=CNC=O;CPXASHOGCPRQEI-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232508;MM232508;CC(C)(O)CN=CNC=N;CLFPSGPZDGVNFC-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232509;MM232509;CC(C)(F)CN=CNC=N;HZIYEFFJEDTPNY-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232510;MM232510;CC(F)(F)CN=CNC=N;LJGMUXYHIZMIJG-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232511;MM232511;N#CC(F)CC1(CO)CN1;KGZBJXSKJJELIS-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232512;MM232512;CC(C)(C)CNN=CC#N;IEKVQAGJPSVSSI-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232513;MM232513;C=C(C#N)CC1(CO)CN1;COCMURKYTZDSIZ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232514;MM232514;O=CC12C=CC(CO)(C1)N2;JYXGHBUNTGYQQX-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232515;MM232515;CC1(CO)NC1C1(F)CC1;FBCNJWWVCJBDBY-UHFFFAOYSA-N;145.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232516;MM232516;CC(C)(F)CNN=CC#N;LCFLGCPFYWDVNR-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232517;MM232517;CC1(CO)NC1C1(C)CO1;OAEBKDPIYWVQAO-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232518;MM232518;CC(F)(F)CNN=CC#N;KLCFMNANFVLTDB-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232519;MM232519;N#CC=NNCC(F)(F)F;RDYLOSFYPITNFI-UHFFFAOYSA-N;151.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232520;MM232520;CC(C)(O)COC=CC#N;MXNPMUJRSSCZLE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232521;MM232521;CC(C)(F)COC=CC#N;AHEKVCAEVNASOF-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232522;MM232522;CC(F)(F)COC=CC#N;NPTCCWCKXGNDFO-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232523;MM232523;C=CC=COCC(F)(F)F;TXUPXBDOZUGTSS-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232524;MM232524;N#CC=COCC(F)(F)F;KHYYTEJPTPBYML-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232525;MM232525;C=NN=COCC(C)(C)N;WIRXIPIMLJCXFS-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232526;MM232526;C=NN=COCC(C)(C)O;NBAGWGSCCFJSQM-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232527;MM232527;C=NN=COCC(C)(C)F;FHOMZENPJZNZMO-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232528;MM232528;C=NN=COCC(C)(F)F;JDJOWLNJVFPVOL-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232529;MM232529;C=NN=COCC(F)(F)F;WRUSVHGHJISAEJ-UHFFFAOYSA-N;154.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232530;MM232530;C=CC=NOCC(C)(C)C;NJGBNLCPQHJDNU-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232531;MM232531;CC(C)(C)CON=CC=O;SQFTZUHYDNSUFY-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232532;MM232532;CC(C)(C)CON=CC#N;CDRAQJKLEGJGJQ-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232533;MM232533;C=CC=NOCC(C)(C)N;KKIQKDKIVCACNW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232534;MM232534;C=CC=NOCC(C)(C)F;NWADQYFETVXXNS-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232535;MM232535;CC(C)(F)CON=CC#N;CCZHIQJTJGXSAO-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232536;MM232536;CC(F)(F)CON=CC#N;RRRVVIFTELXWRI-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232537;MM232537;N#CC=NOCC(F)(F)F;OJRBBLWUBXGORB-UHFFFAOYSA-N;152.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232538;MM232538;C=CC=CCNC(C)(C)C;CFWNCBYAWYUFDF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232539;MM232539;CC(C)(C)NCC=CC#N;HFWJYYAPYLDYMD-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232540;MM232540;C#CC=CCCC(C)(C)C;SWDBSMPXGFYDCR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232541;MM232541;C#CC=CCCC(C)(C)N;ZJLCRMNYYAAAKV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232542;MM232542;CCC(O)CNN=CNO;LHKMAIRJVUIQJI-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232543;MM232543;C#CC=CCCC(C)(F)F;XHANGDHOXFCSSB-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232544;MM232544;C#CC=NNCC(C)(C)F;UMWNQILXDXEUST-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232545;MM232545;CCOCC1NC1(C)CO;XNOSLVBKBRBDHA-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232546;MM232546;C#CC=COCC(C)(C)C;UJNCIBQXGABXKR-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232547;MM232547;C#CC=COCC(C)(C)N;RBCQNDWUUZBTTM-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232548;MM232548;C#CC=COCC(C)(F)F;QABASFALOWCVKV-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232549;MM232549;C#CC=COCC(F)(F)F;DADMCAWTUSMUPB-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232550;MM232550;C#CC=NOCC(C)(C)C;CHLGVPCFIPCOFZ-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232551;MM232551;COC=NNCC1(O)CC1;JPLSUXMNQNAQGU-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232552;MM232552;C#CC=NOCC(C)(C)F;SJAKRUSMEIVWEH-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232553;MM232553;C#CC=NOCC(F)(F)F;SSTGKHJZBHHPTO-UHFFFAOYSA-N;151.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232554;MM232554;C#CC=CCNC(C)(C)C;XHCAQTGZPBVDGM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232555;MM232555;CCC#CCCC(C)(C)C;FUCKHOXYRJWBDG-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232556;MM232556;CC(C)(C)CCC#CCN;HTBHDPNIKMWCIC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232557;MM232557;CCC#CCCC(C)(C)N;DIMKMHYWMGZLNJ-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232558;MM232558;CC(C)(N)CCC#CCN;MMLTXZGSWNUGHB-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232559;MM232559;CC1N(CC#N)C1(C)CO;UIUVKTLUPXFEJQ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232560;MM232560;CC(C)(O)CCC#CCN;KFGWWHCZBQYSMC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232561;MM232561;CC(C)(O)CCC#CCO;HOEVLHHYINXLCB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232562;MM232562;CNC(=O)N(C=CF)NC;UHLKZIFZGUNJPO-UHFFFAOYSA-N;147.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232563;MM232563;CCC#CCCC(C)(C)F;NJWQSPZRFHZJGZ-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232564;MM232564;CC(C)(F)CCC#CCN;WWZCWGMIVMMPLM-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232565;MM232565;CCC#CCCC(C)(F)F;CQGCPGSDZDYCJB-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232566;MM232566;CCC#CCNC(C)(C)C;MVRFNKWCBSFXBW-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232567;MM232567;CC(C)(C)NCC#CCN;DXSJYPZMGGSHJD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232568;MM232568;CCC#CCOC(C)(C)C;JTTFRAKHMVMJQQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232569;MM232569;CC(C)(C)OCC#CCN;LGZNIKHVAYWFCO-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232570;MM232570;CC(C)(C)OCC#CCO;PGWPOKUEBCYEPL-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232571;MM232571;CC(C)(C)OCC#CCF;APXPBKRGWBCFOQ-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232572;MM232572;C=CC#CCCC(C)(C)C;ORETUDQWSBTZNM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232573;MM232573;CC(C)(C)CCC#CC=O;WCWFGJXMQGTEPC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232574;MM232574;CC(C)(C)CCC#CC#N;ZICRJQAXXXANNA-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232575;MM232575;C=CC#CCCC(C)(C)N;GDEBZKMCVKEFRW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232576;MM232576;C=NNC(=CN=NC)CO;YORFKCWWPVGWNI-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232577;MM232577;CN(O)C(=NN)N(C)C=O;LVJKYZSNIFPLJP-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232578;MM232578;C=CC#CCCC(C)(C)F;XZGYPBLXRBKKHS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232579;MM232579;CC(C)(F)CCC#CC#N;APPVOYJAHPHSJB-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232580;MM232580;C=CC#CCCC(C)(F)F;IHOZXXDBYPVVFQ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232581;MM232581;CC(F)(F)CCC#CC#N;LOZBVBBNWGFRSS-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232582;MM232582;N#CC#CCCC(F)(F)F;YHROKMCXNLHJCZ-UHFFFAOYSA-N;147.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232583;MM232583;C=CC#CCNC(C)(C)C;VFMPXFISUSTJCN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232584;MM232584;C=CC#CCOC(C)(C)C;XZXKOXRVJLCEDH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232585;MM232585;CC(C)(C)OCC#CC=O;DUYBFIIIPHRMIP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232586;MM232586;CC(C)(C)OCC#CC#N;ZDMFEMHIHJELBL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232587;MM232587;C#CC#CCCC(C)(C)C;CGRVTBFOSSEKLS-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232588;MM232588;C#CC#CCCC(C)(C)N;USVQBQPEJMIEET-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232589;MM232589;N#CCNC(CO)C(N)=O;KZUYQNKHJKGPGT-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232590;MM232590;C#CC#CCCC(C)(C)F;PGRZQPQXZGZUAF-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232591;MM232591;C#CC#CCCC(C)(F)F;GUSNTPULDFUDCH-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232592;MM232592;C#CC#CCCC(F)(F)F;KTVSSHVITIUBBL-UHFFFAOYSA-N;146.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232593;MM232593;C#CC#CCNC(C)(C)C;XDVKNBJANYGWKX-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232594;MM232594;C#CC#CCOC(C)(C)C;PDYYESNZCCHBCX-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232595;MM232595;CCCC=CCC(C)(C)N;ZFKYBNPFRZFUSV-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232596;MM232596;CC(C)(N)CC=CCCN;JANUZNWWRWQEFY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232597;MM232597;CC(C)(O)CC=CCCN;ARKQFDNQXSTFCL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232598;MM232598;CON=CNC(CO)CO;GIMMXNMOHZCXBD-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232599;MM232599;CCCC=CCC(C)(F)F;POCBFDYCLMNYEE-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232600;MM232600;CC(F)(F)CC=CCCN;RXKMRONBSACZAU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232601;MM232601;CC(F)(F)CC=CCCO;CSVHEWVEFGYICQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232602;MM232602;CC(F)(F)CC=CCCF;KDLGRIWEFNMPFR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232603;MM232603;CNCC=CCC(C)(C)N;ABHJDRMECYDQJC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232604;MM232604;CNCC=CCC(C)(C)O;ZGPRMJPEPDDPLA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232605;MM232605;CNCC=CCC(F)(F)F;LIGXEHYNJPTFQR-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232606;MM232606;CCOC=CCC(C)(C)N;XWCHPQWMNNOJHZ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232607;MM232607;CCOC=CCC(C)(C)F;UQJGXWTUTHGTSJ-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232608;MM232608;CCNN=CCC(C)(C)N;FGHFYUGOIXJBNI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232609;MM232609;CNN=CCC(C#N)CO;NXPSSUFUJIXWIB-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232610;MM232610;CCNN=CCC(C)(C)F;ZDOOMYMXWHZDBS-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232611;MM232611;CCNN=CCC(C)(F)F;FJZUHTCBTJSOPW-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232612;MM232612;CCON=CCC(C)(C)C;QKRMPLBYXJEIAQ-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232613;MM232613;CCON=CCC(C)(C)N;AJBLWBMQWJBQRY-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232614;MM232614;CCC1(CO)CN1CCF;HDKJWVYUZJEEEK-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232615;MM232615;CC(C)(C)N=CNCCO;YZIPNTPTOBBIFF-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232616;MM232616;CCON=CNC(C)(C)C;UGPSOMXUOKHOEK-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232617;MM232617;CCCC=NNC(C)(C)C;DIWQACNWYKVPDG-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232618;MM232618;CC(C)(C)NN=CCCF;AUZMBWZLXIHQST-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232619;MM232619;COCC=NNC(C)(C)C;UANBUZKBVHLQJM-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232620;MM232620;CCOC=COC(C)(C)C;GWRZQVCIBCGFNR-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232621;MM232621;CCC1CN2CC2(CO)C1;ZYEKQNZFWDEXCM-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232622;MM232622;CC(C)(C)ON=CCCF;NANPCKMYNQBMRI-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232623;MM232623;C=CCC=CCC(C)(C)C;WKHXBUBBRDAOBG-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232624;MM232624;CC(C)(C)CC=CCC#N;DTAMZRINOXWUAO-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232625;MM232625;N#CC1CC2NC2(CO)C1;SMJWFWRHLVYBCX-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232626;MM232626;CC1OC1C1NC1(C)CO;FYOHNKNQQRUBMD-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232627;MM232627;C=CCC=CCC(C)(F)F;CCEHFQXFOGQHKW-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232628;MM232628;CC(F)(F)CC=CCC=O;PZXBIICRYXMXLM-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232629;MM232629;CC(C)(N)CC=CNC=N;UTKPGWFHFFVESD-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232630;MM232630;CC(C)(N)CC=CNC=O;VPHGMGGEOLDLRO-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232631;MM232631;CC(C)(O)CC=CNC=N;FZAUXIOKEVGXHD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232632;MM232632;CC(C)(O)CC=CNC=O;AEPNZDWYQQBJRN-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232633;MM232633;CC(C)(F)CC=CNC=N;ZRMPSGLFSZEPID-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232634;MM232634;CC(F)(F)CC=CNC=N;OGEOQMVQGCKDDT-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232635;MM232635;CC(C)(N)CC=COC=O;NPRAQYDXWROXCG-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232636;MM232636;C=COC=CCC(C)(F)F;YVTAATYBXGGYEB-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232637;MM232637;CC(C)(N)CC=NNC=O;KYKDBJQDIMSQKS-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232638;MM232638;CC(C)(F)CC=NNC=O;GEQTXVIHDJPQHR-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232639;MM232639;CC(F)(F)CC=NNC=O;HJBAHZSVBDYVBT-UHFFFAOYSA-N;150.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232640;MM232640;N#CC1=CC2(CO)CC1N2;CMGVFLSCORUQKN-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232641;MM232641;CC(C)(F)CC=NOC=O;UWGUEOYFQQTHCB-UHFFFAOYSA-N;147.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232642;MM232642;CC(F)(F)CC=NOC=O;GLUSWLBNUSXLJU-UHFFFAOYSA-N;151.11;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232643;MM232643;C=CCNC=NC(C)(C)C;RRFQNAWCXYITFR-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232644;MM232644;CC(C)(C)N=CNNC=N;QYSGYMYKWXQIHA-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232645;MM232645;C=CCC=NNC(C)(C)C;AHSYVXBDWFMWOL-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232646;MM232646;CCn1c(N)nncc1=O;JRAYPVBGRJOYKC-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232647;MM232647;CC(C)(C)OC=CNC=N;KVJKJRFXBOHSQX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232648;MM232648;CC(C)(C)OC=CNC=O;CLSIFZUFUAVHCI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232649;MM232649;C=COC=COC(C)(C)C;JYMMXDCVSCRQNU-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232650;MM232650;OCC12CCC(CF)N1C2;LOPSNIDSOALETA-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232651;MM232651;CC(C)(C)OC=NNC=O;TULIQAAHZVWNPQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232652;MM232652;CC(C)(C)OC=NOC=O;HLBQDMQDNBUWDI-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232653;MM232653;C=CCC=NOC(C)(C)C;ARAKBIHJUQWORV-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232654;MM232654;C#CCC=CCC(C)(C)C;JSCPGIXXZSHVCH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232655;MM232655;C#CCC=CCC(C)(C)N;WHKHBMNANDWOPY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232656;MM232656;O=CC1CCC2(CO)NC12;SFUREXGWJBJCKI-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232657;MM232657;C#CCC=CCC(C)(F)F;JMBYCDNXVIVKCN-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232658;MM232658;C#CCC=COC(C)(C)C;KSFZNOLVOQWLNI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232659;MM232659;CC(C)(N)CC=CC=CF;YUCJVJTVIKYJDU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232660;MM232660;CC=CC=CCC(C)(C)F;IGFGXQBRXFQTAN-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232661;MM232661;CC(C)(C)CC=CC=NN;QGTBOPYSEVITOI-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232662;MM232662;CC(F)(F)CC=CC=NN;MJMQMASXWIOZKX-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232663;MM232663;CC(F)(F)CC=CC=NO;IFGUTVAOFZGNJB-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232664;MM232664;CC=NN=CCC(C)(C)C;WNXYBZUNSWNVMO-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232665;MM232665;CC=NN=CCC(C)(C)N;YJMNJALSGCFLHW-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232666;MM232666;CC=NN=CCC(C)(C)O;DJSITFZYVGOMRG-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232667;MM232667;CC=NN=CCC(C)(C)F;PQHJZGXQWTVGRW-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232668;MM232668;N#CC1CCC2(CO)NC12;MRCPGOMWNSALQU-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232669;MM232669;CC(C)(C)NN=CC=CF;SPTUAYGJDUAFDK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232670;MM232670;CC=NN=COC(C)(C)C;JWIYVLOMCUYBTE-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232671;MM232671;CCCC#CCC(C)(C)C;RWMYTHMSAXHQSA-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232672;MM232672;CC(C)(C)CC#CCCN;AAOLAUYOXWQKOY-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232673;MM232673;CCCC#CCC(C)(C)N;QUSPZFPCCCVZMB-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232674;MM232674;CC(C)(N)CC#CCCN;QQMFVLBTYAHXQR-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232675;MM232675;C=CC1CCC2(CO)CN12;WCFRJCLVPNWHOY-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232676;MM232676;CC(C)(O)CC#CCCN;JPIMZFCVQASZME-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232677;MM232677;O=CC1CCC2(CO)CN12;CWVNNAXPWWHPNL-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232678;MM232678;CCCC#CCC(C)(C)F;IUCCGLPFAFMEOZ-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232679;MM232679;CC(C)(F)CC#CCCN;XYSYLOKJFFIQIZ-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232680;MM232680;CCCC#CCC(C)(F)F;YDVLMQMEMWKKEC-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232681;MM232681;CCCC#CCC(F)(F)F;YMFMATKXERCBSD-UHFFFAOYSA-N;150.14;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232682;MM232682;CNCC#CCC(C)(C)C;IEIBPHVNGINTCD-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232683;MM232683;C=CCC#CCC(C)(C)C;HRRYKCUNFAOMJW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232684;MM232684;CC(C)(C)CC#CCC=O;JXDJYHDOVAFCRD-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232685;MM232685;CC(C)(C)CC#CCC#N;DJNYBLAPPIHONJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232686;MM232686;C=CCC#CCC(C)(C)N;RZDNXTOHRJBCJO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232687;MM232687;N#CC1CCC2(CO)CN12;CQWYAIXEWXAIIT-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232688;MM232688;C#CC1CCC2(CO)CN12;NILJCXXUYXBCDV-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232689;MM232689;CC(C)(O)CC#CCC#N;KBBJGTOFTANFNL-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232690;MM232690;C=CCC#CCC(C)(C)F;JPBCQWZNQUGVJV-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232691;MM232691;CC(C)(F)CC#CCC#N;OWRNPLYOUKIXIM-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232692;MM232692;C=CCC#CCC(C)(F)F;ABIFOGLOOLEJDH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232693;MM232693;CC(F)(F)CC#CCC#N;XHGWPBYANOGIND-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232694;MM232694;C=CCC#CCC(F)(F)F;ZLTVQONXSFDSKS-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232695;MM232695;N#CCC#CCC(F)(F)F;CBKYKXVZYYGVGA-UHFFFAOYSA-N;147.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232696;MM232696;C#CCC#CCC(C)(C)C;ZVVHBCSVFTVRDQ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232697;MM232697;C#CCC#CCC(C)(C)N;VZNMBIAXLDYSJO-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232698;MM232698;CN1CC1(C)CO;IYLDXZZMUAKCDL-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232699;MM232699;C#CCC#CCC(C)(C)F;YMCZOVJHZMYOQX-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232700;MM232700;C#CCC#CCC(C)(F)F;KZLIFUKLJNRMSO-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232701;MM232701;C#CCC#CCC(F)(F)F;RMQTXICCAUMKIL-UHFFFAOYSA-N;146.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232702;MM232702;CC=CC#CCC(C)(C)C;GRKRDZAUJXLPAD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232703;MM232703;CC=CC#CCC(C)(C)N;JEIRQTKCSHZHGR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232704;MM232704;NN=C1C=CC(O)C1;ONAFIAXHFYEZDZ-UHFFFAOYSA-N;112.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232705;MM232705;CNc1ccn(O)c1;WLAGLFRNFHWFGF-UHFFFAOYSA-N;112.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232706;MM232706;CC=CC#CCC(C)(C)F;MMQGYURDCJOTPS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232707;MM232707;CC=CC#CCC(C)(F)F;AZYYHOBGXOEHRO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232708;MM232708;CC(C)(C)CC#CC=NN;XBXBLVKUOOVNIE-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232709;MM232709;N#CC1NC1C(N)=O;UZBIHLPCSKLEOO-UHFFFAOYSA-N;111.1;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232710;MM232710;NC(=O)CON=CCO;MLRFVNMMBJWSDL-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232711;MM232711;CC(F)(F)CC#CC=NN;KXDZZEZCPHJYHS-UHFFFAOYSA-N;146.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232712;MM232712;CC#CC#CCC(C)(C)C;ZXULKOQLVWROCF-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232713;MM232713;CC#CC#CCC(C)(C)N;GDUMFZCGHAOPPV-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232714;MM232714;CON=CNOC(N)=O;SFXQZTHWLWQMGR-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232715;MM232715;CC#CC#CCC(C)(C)F;QCZQKPGGYZLDFE-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232716;MM232716;CC#CC#CCC(C)(F)F;WIBQPCIIONJMSB-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232717;MM232717;CC(C)(C)C=CCCCN;BKELHAJZJQCRGW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232718;MM232718;CC(C)(N)C=CCCCN;NGCZBGPCVKJYFP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232719;MM232719;CC(C)(N)C=CCCCO;PRIBPXVGIPCYBF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232720;MM232720;CC(C)(N)C=CCCCF;UMGKJUAKTUBONB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232721;MM232721;CC(C)(O)C=CCCCN;HYJWGZUZMWBRMS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232722;MM232722;C=NNCC(O)CCF;GDLNXIVBABYXMX-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232723;MM232723;CC1(CO)CN1CCF;DZJWGMIRVWXITE-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232724;MM232724;CCCCC=CC(C)(F)F;VNTLKENEQUEGKX-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232725;MM232725;CC(F)(F)C=CCCCN;YENVJHZKMDKJOP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232726;MM232726;CC(F)(F)C=CCCCF;XWIQVGIELTWODW-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232727;MM232727;CNCCC=CC(C)(C)N;VGVDPQJMIXVUEO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232728;MM232728;CNCCC=CC(C)(C)O;WMNLDFOBVOHDQH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232729;MM232729;CNCCC=CC(C)(F)F;JSLQTNRHPJOYPR-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232730;MM232730;COCCC=CC(C)(C)C;OGMUWNNYSSDHBW-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232731;MM232731;COCCC=CC(C)(C)N;GFHUFWGUHCAJBO-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232732;MM232732;CCNCC=CC(C)(C)N;YNVWNSMJJXNNDJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232733;MM232733;CCOCC=CC(C)(C)C;IZSZJAWFLVMVRB-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232734;MM232734;CCOCC=CC(C)(C)N;LAPYWKCLOCONIU-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232735;MM232735;CCOCC=CC(C)(C)O;CJAPIZCTAHAAQO-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232736;MM232736;CCOCC=CC(C)(C)F;GSDYGNVYSLTVCZ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232737;MM232737;CCCOC=CC(C)(C)C;URCYQACDVLNECK-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232738;MM232738;CC(C)(C)C=COCCN;YTASAQKSOLYCLY-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232739;MM232739;CC(C)(C)C=COCCO;XHWMTKAUPSRJQT-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232740;MM232740;CC(C)(N)C=COCCN;NJYBUKZZDWSBRL-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232741;MM232741;CCCOC=CC(C)(C)F;GSJNLZWVSYDVDB-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232742;MM232742;CC(C)(F)C=COCCO;RZEQALIURMKURT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232743;MM232743;CC(F)(F)C=COCCN;RTECSWCRBXRKTL-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232744;MM232744;CC(F)(F)C=COCCO;LWFOWOQLHSYDLV-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232745;MM232745;NCCOC=CC(F)(F)F;GIIAQRWNLGBUEC-UHFFFAOYSA-N;155.12;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232746;MM232746;COCOC=CC(C)(C)O;WQVZGHCJCKQQPL-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232747;MM232747;COCOC=CC(C)(C)F;CSQGQVCOBVMRNV-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232748;MM232748;COCOC=CC(C)(F)F;NWFKSJHUIPWNCV-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232749;MM232749;CCCNN=CC(C)(C)C;SGNPATDSECUDBA-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232750;MM232750;CC(C)(C)C=NNCCN;YHXQWFCRNYOQIU-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232751;MM232751;CC1(CO)NC1CC#N;TWPCZJJVLQRQRG-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232752;MM232752;CCCNN=CC(C)(C)N;QMVDXXAEGAMCLC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232753;MM232753;CC(C)(N)C=NNCCN;VFPHCUVEYXOACO-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232754;MM232754;C=CCN1CC1(C)CO;SRXNTUUSVAUZSY-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232755;MM232755;CC1(CO)CN1CC=O;AZRUKSYEJWWNMZ-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232756;MM232756;CC(F)(F)C=NNCCN;YGWLNZCSJICPDS-UHFFFAOYSA-N;151.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232757;MM232757;CC1(CO)CN1CC#N;MIXPUHSYDNOTAB-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232758;MM232758;C#CCN1CC1(C)CO;FROAAJWJKQGPPN-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232759;MM232759;CC(C)(C)C=NOCCN;SSJOMBKIJMNPCI-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232760;MM232760;C=NN(C=NN)C(N)=O;YRCDCGQGOGPWQV-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232761;MM232761;CCCON=CC(C)(C)N;DBMZUCXBMITSCN-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232762;MM232762;N#CCNC(CO)CO;QSNKZMCNKSUBNL-UHFFFAOYSA-N;130.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232763;MM232763;N#CCCC1(CO)CN1;FUBZADYXLHJKLE-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232764;MM232764;CCCON=CC(C)(C)F;VJRVPPXCJUQZKF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232765;MM232765;CC(C)(F)C=NOCCN;DOLIDFQQJOPPRH-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232766;MM232766;COCON=CC(C)(C)N;CMWXETIRAJIHIJ-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232767;MM232767;COCON=CC(C)(C)F;OCXOYQOQCUUUDN-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232768;MM232768;COCON=CC(C)(F)F;OHPLFELUTRSDQU-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232769;MM232769;C=CCCC=CC(C)(C)C;VWHUCNDITKKHMQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232770;MM232770;CC(C)(C)C=CCCC#N;KRKZOHJXUWTHEV-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232771;MM232771;C=CCCC=CC(C)(C)N;LHFSJDDVGRBUEK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232772;MM232772;C=CC(C)(CO)N1CC1;UPSPPHLFTOXTIX-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232773;MM232773;CC1(CO)CN1C1CC1;SLGANBXCWZCMIH-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232774;MM232774;CC(F)(F)C=CCCC=O;NRHWTZWSKNFEQT-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232775;MM232775;O=CCCC=CC(F)(F)F;KNZSGBYKABZRLK-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232776;MM232776;CC(C)(O)C=CCNC=N;ZCHXYQRZMCTCOV-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232777;MM232777;C=CCOC=CC(C)(C)C;WWYVGQXPBRIWMY-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232778;MM232778;CC(C)(C)C=COCC=O;JBVFRGWZBWNDDE-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232779;MM232779;C=CCOC=CC(C)(C)N;BJYWCZDVFSJCNG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232780;MM232780;CC(C)(O)C=COCC=O;UCQMJALPFQMMBR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232781;MM232781;CC(C)(O)C=COCC#N;VEPNYZMUUMFAAC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232782;MM232782;C=CCOC=CC(C)(C)F;JDAWXKCOKPGYCG-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232783;MM232783;CC(C)(F)C=COCC#N;SZAHVYPIPQXHQN-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232784;MM232784;C=CCOC=CC(C)(F)F;IZLFLYFVRPGIIE-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232785;MM232785;CC(F)(F)C=COCC#N;CLLKXNQUJCYYSH-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232786;MM232786;O=CCOC=CC(F)(F)F;KUZLVDCECLBHDN-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232787;MM232787;N#CCOC=CC(F)(F)F;KUBNRGCSWUVYOM-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232788;MM232788;C=CCNN=CC(C)(C)C;CLKCSCOQAXMTCS-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232789;MM232789;C#CC#CCN(O)C=NC;IJBBPGZUCWADHB-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232790;MM232790;NN=CC(=O)N(N)C(N)=O;ZHSRDMAQIHBSRS-UHFFFAOYSA-N;145.12;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232791;MM232791;CC(CO)(CO)CC=NN;IFUPVPVBRIZRDY-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232792;MM232792;C=CCNN=CC(C)(C)F;RPKRUPAZUUEOPU-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232793;MM232793;C#CC(C)NCC(=O)C#N;DJBPCRUZOVCOSV-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232794;MM232794;N#CC(=O)ONC(=N)NO;ZVIAUZPSMCBUIV-UHFFFAOYSA-N;144.09;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232795;MM232795;CC(C#N)C1NC1(C)CO;VIWNNWJWOWHGPK-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232796;MM232796;C=CC(C)N1CC1(C)CO;JVNRCJGEXABUCB-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232797;MM232797;CC(C=O)N1CC1(C)CO;RHHIDHINYYWXQU-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232798;MM232798;C=CCON=CC(C)(C)C;WGZAUBWIHJVVLP-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232799;MM232799;C=CCON=CC(C)(C)N;YHLBGUWNIDCBMB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232800;MM232800;CC(C#N)N1CC1(C)CO;HUUVNRWAGTXYBI-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232801;MM232801;CC(F)(F)C=NOCC#N;GBQPIJYXXSMUQR-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232802;MM232802;N#CCON=CC(F)(F)F;UYHKOWQWDNKILF-UHFFFAOYSA-N;152.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232803;MM232803;C#CCCC=CC(C)(C)C;GZMCKGWAQJODBS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232804;MM232804;C#CCCC=CC(C)(C)N;GFQJNDAPLVZZTE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232805;MM232805;C#CCOC=CC(C)(C)C;BKTHSWIUKBMDCJ-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232806;MM232806;C#CCOC=CC(C)(C)N;FGMYDXBYMFHIAK-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232807;MM232807;C#CCOC=CC(C)(F)F;OOFZYFNKECIYPI-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232808;MM232808;C#CC(C)N1CC1(C)CO;IDLKCKMBCKBWBK-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232809;MM232809;C#CCNN=CC(C)(C)N;RTDXQDYVIYJDAW-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232810;MM232810;CC1(CO)CCN(C=O)N1;FIPUYIJIYTZLTL-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232811;MM232811;C#CCON=CC(C)(C)C;KPNHDOFHDZMHJG-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232812;MM232812;C#CCON=CC(C)(C)N;FCKJZFSQRNNGQZ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232813;MM232813;CC=CCC=CC(C)(C)C;OPOPRJUEFSGYFY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232814;MM232814;CC=CCC=CC(C)(C)N;KFWCMCKGPFPBES-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232815;MM232815;CC(C)(N)C=CCC=CF;UCKKUVWYSTYJQB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232816;MM232816;CC1(CO)C=CC(C#N)N1;NJIPTGGHDPMGBE-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232817;MM232817;CC=CCC=CC(C)(C)F;HMXUJONKKZEFSY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232818;MM232818;CC(C#N)NC(CO)CO;PDQSKVAASCRCDG-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232819;MM232819;CC(F)(F)C=CCC=NO;YWUGVDRQGDZMKO-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232820;MM232820;CC(C)(C)C=CN=CNN;FJDLCCLGGJGTDK-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232821;MM232821;CC(C)(O)C=CN=CNN;BWXYKJYZBRLGBF-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232822;MM232822;CN=CNC=CC(C)(C)F;CQLGSPUFWGXCOX-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232823;MM232823;CC(C)(F)C=CN=CNN;FSCSITGNDBGPCW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232824;MM232824;CC=COC=CC(C)(C)O;HQDIXEAVKSNOMO-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232825;MM232825;CC=COC=CC(C)(C)F;GIXCMULLKNDIDU-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232826;MM232826;CC=COC=CC(C)(F)F;FBYGSEMPOKGUCS-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232827;MM232827;C#CC(CO)NN(C)C=O;VVAAMXNTKSLFLH-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232828;MM232828;CC(C)(F)C=COC=NO;QXNZQQHNIGGEMZ-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232829;MM232829;NN(C=O)C=C(CO)CO;HOIWKZLNLIVKSY-UHFFFAOYSA-N;146.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232830;MM232830;CC(F)(F)C=COC=NO;PSEUXDWFZSEAEC-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232831;MM232831;C#CC(=CN(N)C=O)CO;KLSLAOAYTPYLLL-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232832;MM232832;CC(C#N)CC1(CO)CN1;DRMRQQLKVPVRET-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232833;MM232833;CC1(CO)CN1CCCF;LNBZOKHRMSUIPT-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232834;MM232834;CC1(CO)CN1CCC=O;CTBJENDGFIREAQ-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232835;MM232835;CC1(CO)CN1CCC#N;VJYOAFMFQGGJQG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232836;MM232836;C#CCCN1CC1(C)CO;ZZHHNHKXTHCJPN-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232837;MM232837;CC=CCN1CC1(C)CO;XDUASEOCQNMCMM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232838;MM232838;CC(C)(N)C=NOC=NO;OWYZSNALTLYLQW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232839;MM232839;NN=CNN(C=O)C(N)=O;VYZQMQNSGCQLHU-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232840;MM232840;CC#CCC=CC(C)(C)C;KNXCMZWLFATKRZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232841;MM232841;CC#CCC=CC(C)(C)N;FGPSNEBILXOJSS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232842;MM232842;CC#CCC=CC(C)(F)F;GSNNNJPFEIUSOC-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232843;MM232843;CCC=CC=CC(C)(C)C;RQMOZKFMKCKDFZ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232844;MM232844;CC(C)(C)C=CC=CCN;PJHFKPCHEFIKFU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232845;MM232845;CC(C)(C)C=CC=CCO;PJQDAAFPNBWKJQ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232846;MM232846;CCC=CC=CC(C)(C)N;PWMNEQLVLSUFJZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232847;MM232847;CC(C)(N)C=CC=CCN;AZWYXGWXLGVQSO-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232848;MM232848;CC(C)(N)C=CC=CCO;BOOPMDLYFHKURW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232849;MM232849;Nn1c(CO)cc(=O)n1N;IHDWKUDTKHMSKP-UHFFFAOYSA-N;144.13;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232850;MM232850;CC(C)(O)C=CC=CCN;SDDLGFNPNIOURG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232851;MM232851;CC(C)(O)C=CC=CCO;DZVPFWHXTVXZQY-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232852;MM232852;CCC=CC=CC(C)(C)F;WHKAYMFBWICXIQ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232853;MM232853;CC(F)(F)C=CC=CCN;DDBVVWSKCRAHRF-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232854;MM232854;C=NNCCC(C#N)CO;KJMYLZIMGXSRIM-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232855;MM232855;CON=CC=CC(C)(C)N;KBEBRKBTBWLYCZ-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232856;MM232856;CCC=NN=CC(C)(C)C;OVUPDLQAOXNZFY-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232857;MM232857;CCC=NN=CC(C)(C)O;LUEPVOWAFBXHLP-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232858;MM232858;CCC=NN=CC(C)(C)F;SWRYNRVALZQCCO-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232859;MM232859;CC(C)(F)C=NN=CCO;LRVXITWJWYADOT-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232860;MM232860;CCC=NN=CC(C)(F)F;CKNXAMWHBQGVFN-UHFFFAOYSA-N;148.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232861;MM232861;CC(F)(F)C=NN=CCO;JNUMNDJUIQUQLG-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232862;MM232862;CCC=NN=CC(F)(F)F;RQFGFJYNZXZTBY-UHFFFAOYSA-N;152.12;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232863;MM232863;OCC=NN=CC(F)(F)F;IDYOOBKZKCHAOY-UHFFFAOYSA-N;154.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232864;MM232864;COC=NN=CC(C)(C)N;VOUTVHGRJCGQCO-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232865;MM232865;COC=NN=CC(C)(C)O;BEKYCOYPINCRHE-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232866;MM232866;COC=NN=CC(C)(C)F;SBFPOMJXCHUDOY-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232867;MM232867;COC=NN=CC(C)(F)F;YLDJLTJMOIKIHL-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232868;MM232868;COC=NN=CC(F)(F)F;VQHKYFCJXZRSTE-UHFFFAOYSA-N;154.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232869;MM232869;C=CC=CC=CC(C)(C)C;KOIBQOKTKVAXCN-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232870;MM232870;CC(C)(C)C=CC=CC=O;YXVYKPSVFIZOKO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232871;MM232871;CC(C)(C)C=CC=CC#N;WOVWVCPLPKYOCJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232872;MM232872;C=CC=CC=CC(C)(C)N;PSXJRSHOCFFFHT-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232873;MM232873;C=NOCCC(C#N)CO;CSGIVWJBDCYCML-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232874;MM232874;N#CC=CNC(CO)CO;ZGXJKPLAMUHHMF-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232875;MM232875;C=NNC=NC(CO)CF;MNKWFMFNYQOFEG-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232876;MM232876;C=CC=CC=CC(C)(C)F;OYWUYYIKVYDJLT-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232877;MM232877;CC(F)(F)C=CC=CC#N;HCHCANHVDPGQBA-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232878;MM232878;C=NN=CC=CC(C)(C)F;KYJJULZDQWAKKS-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232879;MM232879;C=CC=NN=CC(C)(C)C;YGSCHWOQLRMHDR-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232880;MM232880;CC(C)(C)C=NN=CC#N;QRTORCWWCLPHGL-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232881;MM232881;C=CC=NN=CC(C)(C)N;DXMNUZVVXAUEIF-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232882;MM232882;CC(C)(O)C=NN=CC=O;DDJINQLXCQXRLS-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232883;MM232883;CC(C)(O)C=NN=CC#N;XLGGEJGEAJAOSI-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232884;MM232884;CC(C)(F)C=NN=CC#N;XUBKKTXQQDCWAF-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232885;MM232885;CC(F)(F)C=NN=CC=O;ZMHTUPSVSHWRSP-UHFFFAOYSA-N;148.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232886;MM232886;CC(F)(F)C=NN=CC#N;SJWCGTHPTXNQMS-UHFFFAOYSA-N;145.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232887;MM232887;N#CC=NN=CC(F)(F)F;FQSKTDMTJVGXQR-UHFFFAOYSA-N;149.08;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232888;MM232888;C#CC=CC=CC(C)(C)C;WTWJQPTUHNHSHI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232889;MM232889;C#CC=CC=CC(C)(C)F;QPSBGFSXYNTSGB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232890;MM232890;C#CC=CC=CC(C)(F)F;QEOQMMHKHXVRPQ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232891;MM232891;C#CC=NN=CC(C)(C)C;HEFUUQZUOICJHS-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232892;MM232892;C#CC=NN=CC(C)(C)N;TWOPSERGVXMTPP-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232893;MM232893;C#CC=NN=CC(C)(F)F;BOEUPUUUZXPFTP-UHFFFAOYSA-N;144.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232894;MM232894;C#CC=NN=CC(F)(F)F;ZRHYJMIRAWKMAH-UHFFFAOYSA-N;148.09;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232895;MM232895;CCC#CC=CC(C)(C)C;DNMYRBXQTYJJDA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232896;MM232896;CC(C)(C)C=CC#CCN;DVFKXAIEEXZSAC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232897;MM232897;CCC#CC=CC(C)(C)N;IMFFEGBDKXRZFX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232898;MM232898;CC(C)(N)C=CC#CCN;DLKQCXLJQNETHY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232899;MM232899;CN1CC1CC(C#N)CO;MAALWPCKKCDLIT-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232900;MM232900;CC(C)(O)C=CC#CCN;DLWNBVYWVRRKBO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232901;MM232901;CCC#CC=CC(C)(C)F;UJBPWEZTLPUKAP-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232902;MM232902;CC(C)(F)C=CC#CCN;YUCAMXNFKLZZSF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232903;MM232903;CCC#CC=CC(C)(F)F;MGIRRDATNZDEAW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232904;MM232904;CC(F)(F)C=CC#CCN;XKCKBSAFQYXHGU-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232905;MM232905;CCC#CC=CC(F)(F)F;HSGNZYABCDAVJT-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232906;MM232906;NCC#CC=CC(F)(F)F;LZPRPMVKROJDBB-UHFFFAOYSA-N;149.12;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232907;MM232907;OCC#CC=CC(F)(F)F;DCXXANLTLJQKLN-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232908;MM232908;C=CC#CC=CC(C)(C)C;HJSBJVUMLVDPLB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232909;MM232909;CC(C)(C)C=CC#CC=O;PSNFTENOCDDOAO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232910;MM232910;CC(C)(C)C=CC#CC#N;VPVTVHGQOBFQGL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232911;MM232911;C=CC#CC=CC(C)(C)N;LLULSELRTVFKEF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232912;MM232912;N#CC(CO)CCN1CC1;PTKQFMXVKAOWKL-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232913;MM232913;NC(=O)N(N)C=O;WKCHXUKKEJGOOM-UHFFFAOYSA-N;103.08;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232914;MM232914;C=CC#CC=CC(C)(C)F;BTJAFPGQDLRQGM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232915;MM232915;CC(C)(F)C=CC#CC#N;AZVICULPYYKMIL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232916;MM232916;C=CC#CC=CC(C)(F)F;XZFWNLOQORNUTJ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232917;MM232917;CC(F)(F)C=CC#CC#N;RLCPJECJKHRZGO-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232918;MM232918;N#CC#CC=CC(F)(F)F;YHBLHGJZRJEDOQ-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232919;MM232919;C#CC#CC=CC(C)(C)C;ZQFMUBZDJRSKOZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232920;MM232920;C#CC#CC=CC(C)(C)N;CPPLXZGZOFACRV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232921;MM232921;Nc1ccn(O)c1N;YUKKDIROSCZRCY-UHFFFAOYSA-N;113.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232922;MM232922;C#CC#CC=CC(C)(C)F;QZBSQFNCOOCCLL-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232923;MM232923;C#CC#CC=CC(C)(F)F;HTJWMXXGKMCXDY-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232924;MM232924;C#CC#CC=CC(F)(F)F;YRHHGDLUDJOAQG-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232925;MM232925;CCCCC#CC(C)(C)C;XBLMXBDWMYMTLK-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232926;MM232926;CCCCC#CC(C)(C)N;JBHDKLDFVKIJQL-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232927;MM232927;CC(C)(N)C#CCCCF;VAERZZCFRLHZTO-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232928;MM232928;CCCCC#CC(C)(C)O;GVCJLTJIXQROOE-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232929;MM232929;CC(C)(O)C#CCCCF;SDNDUDYCSFITBP-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232930;MM232930;CCCCC#CC(C)(C)F;YJWFIJCITVTDPH-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232931;MM232931;CCOCC#CC(C)(C)O;SJUISQQFNAVGHZ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232932;MM232932;CCOCC#CC(C)(F)F;SHUWGAFSTMYTKM-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232933;MM232933;CCOCC#CC(F)(F)F;DAAOOFIIAWGXHW-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232934;MM232934;C=CCCC#CC(C)(C)C;ZZXSLZVBKAIGNT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232935;MM232935;CC(C)(C)C#CCCC#N;YJQOOFFOGCTEFN-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232936;MM232936;C=CCCC#CC(C)(C)N;DTJRPUJOZNEWOH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232937;MM232937;C=CCCC#CC(C)(C)O;LWARUMHIOXYEHB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232938;MM232938;CC(C)(O)C#CCCC=O;IGSHQWJFJPLMLH-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232939;MM232939;CC(C)(O)C#CCCC#N;VWFGRMYXDLBRKZ-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232940;MM232940;C=CCCC#CC(C)(C)F;IZJHLTIQKJDAKK-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232941;MM232941;CC(C)(F)C#CCCC#N;QNBWPAKWHMBSPE-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232942;MM232942;C=CCCC#CC(C)(F)F;ZOUFNZOEAHCOPC-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232943;MM232943;CC(F)(F)C#CCCC#N;FQQSCMIWAIRKDA-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232944;MM232944;N#CCCC#CC(F)(F)F;PZOQGQHRXBFUPH-UHFFFAOYSA-N;147.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232945;MM232945;CC(C)(O)C#CCNC=N;NNASCXBBGLVJTA-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232946;MM232946;CC(F)(F)C#CCNC=N;RLUDDCQZGGLDLK-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232947;MM232947;CC(F)(F)C#CCNC=O;CDJKFMNLTHHOEH-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232948;MM232948;O=CNCC#CC(F)(F)F;YARNWGUVWTWKAU-UHFFFAOYSA-N;151.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232949;MM232949;Cc1c(F)n[nH]c1N;XZWFROKCLYWSBM-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232950;MM232950;C=COCC#CC(C)(C)O;ITXJYUCEBDSJRV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232951;MM232951;C=COCC#CC(F)(F)F;ISVBEIONZPYZEK-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232952;MM232952;CN(O)C(=N)C(F)C#N;AEAHFYKJSULXQF-UHFFFAOYSA-N;131.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232953;MM232953;C#CCCC#CC(C)(C)C;UBEXIXCBTGVTCK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232954;MM232954;C#CCCC#CC(C)(C)N;WOADATGUAUJSNO-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232955;MM232955;C#CCCC#CC(C)(C)O;QIJXXPVBIGIQSR-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232956;MM232956;C#CCCC#CC(C)(C)F;INWWNUNXHKMLHZ-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232957;MM232957;C#CCCC#CC(C)(F)F;BZJUHCTVCKRFOZ-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232958;MM232958;C#CCCC#CC(F)(F)F;KKTBHSLLFYJPND-UHFFFAOYSA-N;146.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232959;MM232959;CC=CCC#CC(C)(C)C;PENCPTNADHMEBT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232960;MM232960;CC=CCC#CC(C)(C)N;HLEAWWZPSHYEJH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232961;MM232961;CC=CCC#CC(C)(C)O;NFRNZCPTWXIXHK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232962;MM232962;CC(C)(O)C#CCC=CF;HZWXQVGGTWHTGR-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232963;MM232963;CC=CCC#CC(C)(C)F;FGXLCENMOPSULA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232964;MM232964;CC=CCC#CC(C)(F)F;LUOPTLYLFLGLFJ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232965;MM232965;CC=CCC#CC(F)(F)F;DDNLJZRSTZDBRD-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232966;MM232966;CC#CCC#CC(C)(C)C;GMTXNNLPEOYTRC-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232967;MM232967;CC#CCC#CC(C)(C)N;DONGXXMOBYACFP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232968;MM232968;CC#CCC#CC(C)(C)O;TXJONDUGTMTXCN-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232969;MM232969;CC#CCC#CC(C)(C)F;LYIIFQJQJRQLOI-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232970;MM232970;CC#CCC#CC(C)(F)F;AXRKTVBHEYIIPC-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232971;MM232971;CC#CCC#CC(F)(F)F;UBZNZSKHGUEWKX-UHFFFAOYSA-N;146.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232972;MM232972;CCC=CC#CC(C)(C)C;FLFHIJPCOPTGFS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232973;MM232973;CCC=CC#CC(C)(C)N;HRDRZYBGNHXAFT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232974;MM232974;CCC=CC#CC(C)(C)O;YRYZESOJEWUURV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232975;MM232975;CC(C)(O)C#CC=CCF;BBEXKTKTIVFPCG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232976;MM232976;CCC=CC#CC(C)(C)F;CWMZTSUAXIWHNJ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232977;MM232977;CCC=CC#CC(C)(F)F;NMIXJRIJCHXHSM-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232978;MM232978;COC=CC#CC(C)(C)O;BHQCVMLCCMICDI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232979;MM232979;COC=CC#CC(C)(C)F;JOYDOADYDUGHMG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232980;MM232980;COC=CC#CC(C)(F)F;DJQYJNZLNZKUFS-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232981;MM232981;COC=CC#CC(F)(F)F;QQWSKPLPXZEVNV-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232982;MM232982;CNN=CC#CC(C)(C)N;CZYAVVIERQUQDJ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232983;MM232983;CNN=CC#CC(C)(C)F;UAEMWUOUNCFCOP-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232984;MM232984;CNN=CC#CC(F)(F)F;HHWSCSLXYOTUCD-UHFFFAOYSA-N;150.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232985;MM232985;CON=CC#CC(F)(F)F;RPCDWAVWVQLHSX-UHFFFAOYSA-N;151.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232986;MM232986;C=CC=CC#CC(C)(C)C;GNTYSMHSJQGNDO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232987;MM232987;CC(C)(C)C#CC=CC#N;UELGQWJICREDJY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232988;MM232988;C=CC=CC#CC(C)(C)N;VRKZVFBHULPBKU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232989;MM232989;C=CC=CC#CC(C)(C)O;ULOBPZHZXXEZNS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232990;MM232990;CC(C)(O)C#CC=CC#N;VQQDEKRFINODDK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232991;MM232991;C=CC=CC#CC(C)(C)F;KIWUURXGZWTDMG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232992;MM232992;CC(C)(F)C#CC=CC=O;LEFYJJIQPCXPGF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232993;MM232993;CC(C)(F)C#CC=CC#N;ZOTDANCPMFFBTE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232994;MM232994;C=CC=CC#CC(C)(F)F;UKBCVRGGPAGOKZ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232995;MM232995;CC(F)(F)C#CC=CC#N;XBHNIMXFOQVPLT-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232996;MM232996;C=CC=CC#CC(F)(F)F;BFJYAJMEKPCBII-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232997;MM232997;N#CC=CC#CC(F)(F)F;VFSSNXIFBVHSGZ-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232998;MM232998;C=NN=CC#CC(F)(F)F;IIBUEUKJZLDDGQ-UHFFFAOYSA-N;148.09;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM232999;MM232999;C#CC=CC#CC(C)(C)C;QCBJLUPNCWAGGU-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233000;MM233000;C#CC=CC#CC(C)(C)N;ASJSSUAMWWKNNZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233001;MM233001;C#CC=CC#CC(C)(C)O;FDLSPJZOLNAQQZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233002;MM233002;C#CC=CC#CC(C)(C)F;XOKKRHXABAUZGR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233003;MM233003;C#CC=CC#CC(C)(F)F;BKNAMEWOQWCPTN-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233004;MM233004;C#CC=CC#CC(F)(F)F;SLSWNUDPICQGMY-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233005;MM233005;CCC#CC#CC(C)(C)C;PUVUXGAMNACDLE-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233006;MM233006;CC(C)(C)C#CC#CCN;MQZQCXSORFTBIL-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233007;MM233007;CC(C)(C)C#CC#CCO;SBNRHJKPVFBTCL-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233008;MM233008;CC(C)(C)C#CC#CCF;HNTMPTZXOXBOAH-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233009;MM233009;CCC#CC#CC(C)(C)N;MVASSQJJDURCCB-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233010;MM233010;CC(C)(N)C#CC#CCN;KAZHUFGXXLTHGH-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233011;MM233011;CC(C)(N)C#CC#CCF;NDHAAYNNBWOKSA-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233012;MM233012;CCC#CC#CC(C)(C)O;PYTVORXCACDSLY-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233013;MM233013;CC(C)(O)C#CC#CCF;OWAPYDJDVJFCCN-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233014;MM233014;CCC#CC#CC(C)(C)F;MZUSVXMFGLKUOH-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233015;MM233015;CC(C)(F)C#CC#CCN;MYCBDOPVEAQFKS-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233016;MM233016;CC(C)(F)C#CC#CCO;ATBUBCLDPPHMPS-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233017;MM233017;CC(C)(F)C#CC#CCF;CUPWWTWCFRWJAM-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233018;MM233018;CCC#CC#CC(C)(F)F;OXMIUKSAMMZDGH-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233019;MM233019;CC(F)(F)C#CC#CCN;VOXBNMLNFNCYSI-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233020;MM233020;CC(F)(F)C#CC#CCO;ULOSHEQVKMGULB-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233021;MM233021;CC(F)(F)C#CC#CCF;WVRHBANNSUNNTE-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233022;MM233022;CCC#CC#CC(F)(F)F;JYCZCTSOIGMPBI-UHFFFAOYSA-N;146.11;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233023;MM233023;NCC#CC#CC(F)(F)F;QQYINBCQQGEYLM-UHFFFAOYSA-N;147.1;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233024;MM233024;OCC#CC#CC(F)(F)F;LXOSJCMZVGUYKF-UHFFFAOYSA-N;148.08;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233025;MM233025;FCC#CC#CC(F)(F)F;JQHOZJMPFHDVJG-UHFFFAOYSA-N;150.07;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233026;MM233026;C=CC#CC#CC(C)(C)C;UWBSYEVTMMUMAZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233027;MM233027;CC(C)(C)C#CC#CC=O;VCZJBUYDJHNACY-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233028;MM233028;CC(C)(C)C#CC#CC#N;CLBYPHKCXXDGBQ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233029;MM233029;C=CC#CC#CC(C)(C)N;POQKCSCZGPQBMT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233030;MM233030;C=CC#CC#CC(C)(C)O;SNLFLPHVWTUPCD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233031;MM233031;CC(C)(O)C#CC#CC=O;SRLWWQCWDXZPBH-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233032;MM233032;CC(C)(O)C#CC#CC#N;NUJOEWFHEFOVOI-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233033;MM233033;C=CC#CC#CC(C)(C)F;CCUASPSJDVEBGV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233034;MM233034;CC(C)(F)C#CC#CC=O;ZMUOPVWGJDSCQG-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233035;MM233035;CC(C)(F)C#CC#CC#N;ONABISGAWWDVCI-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233036;MM233036;C=CC#CC#CC(C)(F)F;CUBLBQDDLYOUPS-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233037;MM233037;CC(F)(F)C#CC#CC=O;IKODZMHHHHRNSI-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233038;MM233038;CC(F)(F)C#CC#CC#N;DNNDGOASWORXNR-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233039;MM233039;C=CC#CC#CC(F)(F)F;JKCDGXHSVFVNKT-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233040;MM233040;O=CC#CC#CC(F)(F)F;OERWEBCAWUYSDA-UHFFFAOYSA-N;146.07;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233041;MM233041;N#CC#CC#CC(F)(F)F;XGKDYXHIUCOCTR-UHFFFAOYSA-N;143.07;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233042;MM233042;C#CC#CC#CC(C)(C)C;UPBVGDSBDOEGDZ-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233043;MM233043;C#CC#CC#CC(C)(C)N;IKKQQPHQTKWWPL-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233044;MM233044;C#CC#CC#CC(C)(C)O;QJTMUQJUSMBIEE-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233045;MM233045;C#CC#CC#CC(C)(C)F;HMHDMFXUAOUUNB-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233046;MM233046;C#CC#CC#CC(C)(F)F;AIOCNODAECKHPQ-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233047;MM233047;C#CC#CC#CC(F)(F)F;ASNTUDNKEFNLKM-UHFFFAOYSA-N;142.08;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233048;MM233048;CCCC(C)(C)C(C)CN;RGWYYXIHFQTPAP-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233049;MM233049;CC(CN)C(C)(C)CCN;WDTLBLHOUUYHPP-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233050;MM233050;CC(CN)C(C)(C)CCF;IMHRVRPFWLOKDD-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233051;MM233051;CCCC(C)(C)C(N)CC;DVDCPWBHYSOJMZ-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233052;MM233052;CCC(N)C(C)(C)CCN;PNNMPCKHRCTCIE-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233053;MM233053;CCCC(C)(C)C(N)CN;ANCZVHYSSJBFSL-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233054;MM233054;CC(C)(CCN)C(N)CN;UIIQFLNBVILFCY-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233055;MM233055;CC(C)(CCO)C(N)CN;NDCJYGTWDUMGQU-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233056;MM233056;CCCC(C)(C)C(N)CO;MHJOWEJTENKSRQ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233057;MM233057;NNc1noc(N)c1N;OCMLAFJMPQDOOF-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233058;MM233058;CCCC(C)(C)C(O)CN;QMTMEEUQBLOOPC-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233059;MM233059;CC(C)(CCN)C(O)CO;RHIZYSANQCJSIL-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233060;MM233060;CC(C)(CCO)C(O)CO;JTAFZEOTNAIDLD-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233061;MM233061;CC(C)(CCO)C(F)CO;UBXLFPBUTLSEHT-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233062;MM233062;CC(C)(CCN)C(F)CF;MNJVZMVCHVSQBF-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233063;MM233063;CCC(C)C(C)(N)CCN;UZGOBZGWJZWZFS-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233064;MM233064;CCC(C)C(C)(N)CCF;VETDXZNECDBRMX-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233065;MM233065;CCCC(C)(N)C(C)CN;KRKIVVIRBYCROX-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233066;MM233066;CC(CF)C(C)(N)CCO;CKOKWXUPGNYFPD-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233067;MM233067;CCCC(C)(N)C(N)CC;BUSCNJJRHMNNJH-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233068;MM233068;CCCC(C)(N)C(N)CN;QJSNYZMCKPTMME-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233069;MM233069;CC(N)(CCF)C(N)CF;GIADCINMIIKBNG-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233070;MM233070;CCCC(C)(N)C(O)CO;WLLMZHPFMABSDC-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233071;MM233071;CC(N)(CCF)C(F)CN;GTYCNFNDYVQMEA-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233072;MM233072;CC(N)(CCO)C(F)CO;JUZRWOLTHJFXGU-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233073;MM233073;CCC(C)C(C)(O)CCF;IYRVVLZFKJYCJA-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233074;MM233074;CCCC(C)(O)C(C)CN;WYCSBDZGPOGEEA-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233075;MM233075;CC(CN)C(C)(O)CCN;DOWGUTYSUMQZNE-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233076;MM233076;CCCC(C)(O)C(C)CO;VRVIBKGZLDKSSA-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233077;MM233077;CC(CF)C(C)(O)CCF;YFHCIDNVUKECMV-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233078;MM233078;CCCC(C)(O)C(N)CC;HIEVJBGXMVALAS-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233079;MM233079;CCCC(C)(O)C(N)CN;VBIQXPFOLFVFLA-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233080;MM233080;CCCC(C)(O)C(N)CF;LORGEFSYFDIRLJ-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233081;MM233081;CC(O)(CCF)C(N)CF;XUCFBTPVFWIQPQ-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233082;MM233082;CCCC(C)(O)C(O)CO;NPOCHMBLGABHRU-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233083;MM233083;CCCC(C)(O)C(F)CN;TUHIDZUEDQHZNW-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233084;MM233084;CC(O)(CCF)C(F)CN;QTVRFPJKKVVCSC-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233085;MM233085;CC(O)(CCO)C(F)CO;MOUITAHFDKZGDY-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233086;MM233086;CC(O)(CCN)C(F)CF;PXKCDQBLYYTKEQ-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233087;MM233087;CC(O)(CCF)C(F)CF;QEDAWAHIONFWSF-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233088;MM233088;CCC(C)C(C)(F)CCN;UQLLHVXDAJXTAM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233089;MM233089;CCCC(C)(F)C(C)CN;BYCVQKVOKBWSQA-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233090;MM233090;CC(CN)C(C)(F)CCF;ZUTBVQRVTOLVTH-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233091;MM233091;CC(CF)C(C)(F)CCN;FSDSBIOHBCIJTQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233092;MM233092;CCCC(C)(F)C(N)CC;HGNHEIZJDICHQL-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233093;MM233093;CC(F)(CCF)C(N)CN;FXSIOFSCBBJRAW-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233094;MM233094;CC(F)(CCF)C(N)CO;JXJHMNNPGLFLIP-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233095;MM233095;CC(F)(CCN)C(N)CF;VGTQZKJSDINRMQ-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233096;MM233096;CC(F)(CCF)C(O)CN;CMFNOBFBRHZCIU-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233097;MM233097;CCCC(C)(F)C(O)CO;XNWXKUKRGJVPCN-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233098;MM233098;CC(F)(CCF)C(O)CO;TWGSOWUBQDPIJF-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233099;MM233099;CC(F)(CCN)C(F)CN;FJLMQMRMNVXJTC-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233100;MM233100;CC(F)(CCO)C(F)CN;LUKXTABXLLMFKT-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233101;MM233101;CCC(C)C(F)(F)CCF;XJCAGYTWMLUPEE-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233102;MM233102;CC(CO)C(F)(F)CCO;WPEBBDAEPZHAJV-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233103;MM233103;CCCC(F)(F)C(O)CN;KQLCXVPHOYZGAQ-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233104;MM233104;OCCC(F)(F)C(O)CO;JVTMWVXUORIAQV-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233105;MM233105;CNCC(C)(C)C(C)CN;CACRIIWCCGILLD-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233106;MM233106;CNCC(C)(C)C(C)CO;FYWVAHDUKCXOEI-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233107;MM233107;CNCC(C)(C)C(C)CF;AQQVWYQMTKNGFX-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233108;MM233108;CCC(N)C(C)(C)CNC;RJHGJJVSZAXZDZ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233109;MM233109;CCC(C)C(C)(N)CNC;GGFOUWKKKFSRAN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233110;MM233110;CNCC(C)(N)C(O)CF;BXSFFOYAHPHERP-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233111;MM233111;CCC(F)C(C)(N)CNC;USNLDUPGCDYZJJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233112;MM233112;CCC(O)C(C)(O)CNC;VTMYKBOXPFBXKK-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233113;MM233113;CNCC(C)(O)C(O)CO;SZAUTHNVLVSVCY-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233114;MM233114;CNCC(C)(O)C(F)CO;HHJOBVUBVZOEIG-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233115;MM233115;CNCC(C)(O)C(F)CF;FBRWLGMZYOVZCA-UHFFFAOYSA-N;153.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233116;MM233116;CCC(C)C(C)(F)CNC;LKANTXVNMLGFHN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233117;MM233117;CNCC(C)(F)C(C)CF;UCYLDRWUPVNASE-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233118;MM233118;CNCC(C)(F)C(N)CF;QOCYDFIOHUGYCM-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233119;MM233119;CNCC(C)(F)C(O)CF;YRUCEQQAWDSOLZ-UHFFFAOYSA-N;153.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233120;MM233120;COCC(C)(C)C(N)CN;UQRNJZCKBUPTDF-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233121;MM233121;COCC(C)(C)C(O)CN;OFQROSFVZKZSAH-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233122;MM233122;COCC(C)(C)C(O)CO;ZCJFFENOUHFMSB-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233123;MM233123;COCC(C)(C)C(F)CN;KCMXATNMHFTXPA-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233124;MM233124;COCC(C)(N)C(N)CO;LPEBHBPKDFRNQP-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233125;MM233125;COCC(C)(N)C(O)CN;HVEWMBIZGHNHRE-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233126;MM233126;COCC(C)(N)C(O)CO;MUETVFRUWMXNIN-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233127;MM233127;COCC(C)(N)C(O)CF;ALLZRCYRBBTZBU-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233128;MM233128;COCC(C)(O)C(N)CO;MFEBIAUVMOQVDI-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233129;MM233129;COCC(C)(O)C(O)CN;PAUWUANDJGPIMR-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233130;MM233130;COCC(C)(O)C(O)CO;OBIBXMJCLCOILW-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233131;MM233131;COCC(C)(O)C(O)CF;JVAYKNAUHZKBOD-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233132;MM233132;COCC(C)(F)C(C)CN;HJCREBMHDLDTCO-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233133;MM233133;CCCC(C)(C)C(C)NC;PMOYZOSHQCCTOV-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233134;MM233134;CNC(C)C(C)(C)CCN;WTDVQPUPKMITID-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233135;MM233135;CCCC(C)(F)C(C)NC;OEZFDXXFDRHHNQ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233136;MM233136;CNC(C)C(C)(F)CCF;OJMDFAKLDLBHBI-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233137;MM233137;CNCC(C)(C)C(C)NC;GMNWPEZHZGKDJA-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233138;MM233138;CNCC(C)(N)C(C)NC;DQLAYTUEKHMMEV-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233139;MM233139;COCC(C)(N)C(C)OC;ZXOTZKIBZCPVEO-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233140;MM233140;CCNC(C)(C)C(N)CN;AJTQRODPZFHSHC-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233141;MM233141;CCNC(C)(C)C(N)CO;HYVUUZGUURVISC-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233142;MM233142;CCNC(C)(C)C(O)CN;BFZVJUWISBPWNX-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233143;MM233143;CCNC(C)(C)C(C)NC;LMBSULROAJXCMY-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233144;MM233144;CCCC(C)(C)N(C)CC;BZXIWMPXIMAONC-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233145;MM233145;CCN(C)C(C)(C)CCN;FNYAOERHBMZESV-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233146;MM233146;CC(CF)C(C)(C)CC#N;CVQPVVUGBQDVJJ-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233147;MM233147;C=CCC(C)(C)C(N)CC;MMEJPZWKYBGXNZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233148;MM233148;C=CCC(C)(C)C(N)CN;NZQNUWQJNLOTGV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233149;MM233149;C=CCC(C)(C)C(O)CN;WDPNQNOUJDDCCW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233150;MM233150;CC(C)(CC=O)C(O)CF;MFADNBGAKIIESP-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233151;MM233151;C=CCC(C)(N)C(C)CN;SXJTYBWPFCYNQM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233152;MM233152;C=CCC(C)(N)C(N)CF;FNBXLAOZZMRBNI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233153;MM233153;C=CCC(C)(N)C(F)CC;NIUJTUBVBASXRB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233154;MM233154;C=CCC(C)(O)C(C)CF;SQVIGADJCVCWIL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233155;MM233155;CC(CF)C(C)(O)CC=O;WBODVUQPMAQRGH-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233156;MM233156;C=CCC(C)(O)C(N)CN;UDGNKCIWRWLLKF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233157;MM233157;C=CCC(C)(O)C(O)CO;QXEWSVCLKNJIKV-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233158;MM233158;CC(O)(CC=O)C(O)CF;PDFBUFYVBGMOGR-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233159;MM233159;CC(O)(CC#N)C(O)CF;CLIUNOKGTCSVKI-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233160;MM233160;CCC(F)C(C)(O)CC=O;GWZIYFIGFSMBIX-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233161;MM233161;CC(O)(CC=O)C(F)CO;HFBXTFNJLCOUGB-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233162;MM233162;CCC(C)C(C)(F)CC=O;NJICWIMEDKADJW-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233163;MM233163;CC(CO)C(C)(F)CC=O;UIIUASURNSKEOI-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233164;MM233164;CC(F)(CC=O)C(O)CO;JJKDGZPEBXWDFN-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233165;MM233165;CC(F)(CC#N)C(O)CF;AZKKVJMXAVJTIA-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233166;MM233166;C=CCC(C)(F)C(F)CN;NEEYBKDYQWUCDF-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233167;MM233167;N#CCC(F)(F)C(O)CF;MOUKASZHOOGQLL-UHFFFAOYSA-N;153.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233168;MM233168;CNC(C)C(C)(C)CC#N;DOWNEALWAHUYPX-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233169;MM233169;CNC(C)C(C)(O)CC=O;NBPBLPLRGLRXAI-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233170;MM233170;C=CCC(C)(F)C(C)NC;MHIHQMUODKNAJD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233171;MM233171;CNC(C)C(C)(F)CC=O;IATXNECKLOADGH-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233172;MM233172;COC(C)C(F)(F)CC#N;USBSPYWOROATTJ-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233173;MM233173;OCCN=C(CF)NO;WZAROUQDFRSUPH-UHFFFAOYSA-N;136.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233174;MM233174;CC(CN)C(C)(C)NC=O;OHBWCRDMNOINCJ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233175;MM233175;NNC1=NC(CO)CO1;PTFSBZGJOSFSCR-UHFFFAOYSA-N;131.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233176;MM233176;CC(C)(NC=N)C(N)CF;GGSKYSIZYQGRMY-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233177;MM233177;CC(O)CON=CC(F)F;LDJLIFFAPBNGLD-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233178;MM233178;CC(C)(NC=N)C(F)CN;MLYQVYLTZPFHIV-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233179;MM233179;C=NNC(C)(C)C(C)CN;XOLMVJUDDPXNAD-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233180;MM233180;C=NNC(C)(C)C(N)CC;VJZPMCKBYSLDSI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233181;MM233181;C=NNC(C)(C)C(C)NC;YPVLZMUPJVPHDO-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233182;MM233182;C=NNC(C)(C)C(C)OC;PBPHFDFSEXUXHH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233183;MM233183;CC(CN)C(C)(C)OC=O;MDWYDTXOIGJZIR-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233184;MM233184;CCC(N)C(C)(C)OC=O;ZOKZBVRRDDDHMP-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233185;MM233185;CC(C)(OC=O)C(N)CN;JSJMWAZKVCMOKN-UHFFFAOYSA-N;146.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233186;MM233186;C=NOC(C)(C)C(C)CN;ZJOLWGOQWMOJTG-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233187;MM233187;CC(O)CN(C)N=CCO;HTOFFFBSEJZILW-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233188;MM233188;C=NOC(C)(C)C(N)CC;UMKVMOZAHXXGNY-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233189;MM233189;C=NOC(C)(C)C(N)CN;AZVZZUIZTYUNCP-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233190;MM233190;C=NOC(C)(C)C(F)CN;NWGKUXIHZXIQFP-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233191;MM233191;C=NOC(C)(C)C(F)CF;ZUOBSXITMZCULE-UHFFFAOYSA-N;151.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233192;MM233192;CNC(C)C(C)(C)OC=O;HCBPJRGMNQIECO-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233193;MM233193;C=NOC(C)(C)C(C)NC;IPJSXOKIRNLXQU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233194;MM233194;C#CCC(C)(C)C(O)CN;UOYOKMFAIWOZHL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233195;MM233195;C#CCC(C)(C)C(O)CO;OJRIRTKUXIEZME-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233196;MM233196;C#CCC(C)(N)C(N)CC;RCBGFOUDVMFDFU-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233197;MM233197;C#CCC(C)(O)C(C)CN;QCKUGKNPJVCDHC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233198;MM233198;C#CCC(C)(O)C(C)CO;MAOOJPHDDWVGDH-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233199;MM233199;C#CCC(C)(F)C(C)CN;WMAHKHZBSWEZFO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233200;MM233200;C#CCC(C)(F)C(N)CC;WRMSDJFCCUQPGL-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233201;MM233201;C#CCC(C)(N)C(C)NC;QRBMSDJKELBEIW-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233202;MM233202;C#CCC(C)(O)C(C)NC;NHZNHZYGWXUHMP-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233203;MM233203;C#CCC(C)(F)C(C)NC;GZMBGPLDJMBSGQ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233204;MM233204;C=CC(C)C(C)(C)CCN;BCGPCRFAOYEFNW-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233205;MM233205;CC(C=O)C(C)(C)CCF;KHGSDVZHAMMUJD-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233206;MM233206;C=CC(N)C(C)(C)CCC;LKLTUWLXJWEPOM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233207;MM233207;C=CC(N)C(C)(C)CCN;YHSDHMJFYSOKEM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233208;MM233208;C=CC(N)C(C)(C)CCO;DGECZIHMVSVCHU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233209;MM233209;CC(C)(CCO)C(O)C=O;HIQAUABHMBPPGA-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233210;MM233210;CC(C)(CCO)C(F)C=O;WNKBUIYXDQDXBJ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233211;MM233211;C=CC(C)C(C)(N)CCF;OSJKFDBZUWLDCH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233212;MM233212;C=CC(N)C(C)(N)CCC;WQMGNLKYCHMGEO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233213;MM233213;C=CC(C)C(C)(O)CCF;LACUMIHITHZGNI-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233214;MM233214;CCCC(C)(O)C(C)C=O;QPYNKTPPPJAQMF-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233215;MM233215;C=CC(N)C(C)(O)CCC;IHJDMQSWRAKAFL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233216;MM233216;CC(O)(CCF)C(O)C=O;UEXRTZRYYZRTNZ-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233217;MM233217;CC(O)(CCF)C(O)C#N;WKSBUGOGTNVPNS-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233218;MM233218;C=CC(C)C(C)(F)CCN;BPWKBVVQIASQGM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233219;MM233219;C=CC(C)C(C)(F)CCO;CIICKEWFDJLPHT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233220;MM233220;C=CC(C)C(C)(F)CCF;OGNWTPHOBLFLRK-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233221;MM233221;CCCC(C)(F)C(C)C=O;HNXWYDIHKSLJGG-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233222;MM233222;CC(C=O)C(C)(F)CCO;GKJBKNOOADKUFT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233223;MM233223;CC(C=O)C(C)(F)CCF;XIJPIZXYLVXPGS-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233224;MM233224;C=CC(N)C(C)(F)CCF;ULZVTFYACGFYMN-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233225;MM233225;C=CC(O)C(C)(F)CCN;BTSURTBSAQAISP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233226;MM233226;CCCC(C)(F)C(O)C=O;NNIGIJPENWBKDW-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233227;MM233227;C=CC(C)C(C)(C)CNC;YOKFAVRVGULJNN-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233228;MM233228;CNCC(C)(C)C(C)C=O;WEWUWQFVPWZZOL-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233229;MM233229;CNCC(C)(C)C(O)C=O;GMRUJEFJYZZSEH-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233230;MM233230;CNCC(C)(C)C(O)C#N;PYTIVZXRVAOPCF-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233231;MM233231;CNCC(C)(C)C(F)C#N;XFWNSOKWYPMNED-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233232;MM233232;C=CC(O)C(C)(N)CNC;BBPQHSHZUPWLHS-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233233;MM233233;C=CC(F)C(C)(N)CNC;ASTXJPVBYWVSRJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233234;MM233234;C=CC(C)C(C)(O)CNC;BTXSLJDJNFJWLS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233235;MM233235;CNCC(C)(F)C(C)C=O;NDZYBGMVTMLAHP-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233236;MM233236;COCC(C)(O)C(C)C#N;UALTYIDEXAWYPY-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233237;MM233237;C=CC(O)C(C)(F)COC;RMSRGLCSRFCKFR-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233238;MM233238;COCC(C)(F)C(O)C=O;FHYDDIJLYYCANQ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233239;MM233239;COCC(F)(F)C(F)C=O;JSFPRKAJNLRWQW-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233240;MM233240;COCC(F)(F)C(F)C#N;ULVOOATZKLGRBX-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233241;MM233241;C=CC(C)C(C)(C)NCC;BVSAUSVJTOGPNL-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233242;MM233242;CCNC(C)(C)C(C)C=O;IMCSFQNHETWEAH-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233243;MM233243;C=CC(N)C(C)(C)NCC;WAJWKHGOAIRJLX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233244;MM233244;CCOC(C)(C)C(O)C=O;WMFDOBARMGCZEY-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233245;MM233245;CN(C=N)C(C)(C)CCF;FUMRSGYRTMCRLY-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233246;MM233246;CCCC(C)(C)N(N)C=N;DSQMEHFSUHQKJZ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233247;MM233247;CCCC(C)(C)N(N)C=O;PMYSYCZYFOZIRY-UHFFFAOYSA-N;144.22;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233248;MM233248;CNCC(C)(C)N(C)C=O;FIBIXFICNVGNHU-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233249;MM233249;CNCC(C)(C)N(N)C=N;ULNOJHHHSSCFFP-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233250;MM233250;C=NN(C)C(C)(C)CCC;HCEVXZYZPUQXNG-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233251;MM233251;C=NN(C)C(C)(C)CCF;UYAWZHGAXQFODP-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233252;MM233252;C=NN(C)C(C)(C)CNC;IHIFWXZLTFGZSF-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233253;MM233253;C=CC(C)C(C)(C)CC=O;VABBCGVHLIVSKI-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233254;MM233254;C=CCC(C)(C)C(C)C=O;WHQHMZLVZCATPK-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233255;MM233255;CC(C=O)C(C)(C)CC=O;NSCLXYUPVVFYPH-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233256;MM233256;CC(C)(CC#N)C(O)C=O;NPGSSPNTJSUJJO-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233257;MM233257;C=CC(C)C(C)(O)CC=O;RNMUNUGUXDRONK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233258;MM233258;C=CCC(C)(O)C(C)C=O;WHTPYJKKXARQCM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233259;MM233259;CC(C#N)C(C)(O)CC#N;VRDPCWRPLCHREQ-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233260;MM233260;C=CCC(C)(O)C(O)C=O;GLEIYQCTLQREQF-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233261;MM233261;C=CCC(C)(O)C(O)C#N;LVJNPVKBYQSVBJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233262;MM233262;CC(O)(CC=O)C(O)C#N;NPQMTHWKBFUMGV-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233263;MM233263;C=CCC(C)(O)C(F)C=O;NUEXNOHAVUGNSY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233264;MM233264;CC(O)(CC=O)C(F)C=O;ISNSTVYTICVEJV-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233265;MM233265;CC(F)(CC=O)C(O)C=O;FWKHGMSWDMNYPR-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233266;MM233266;N#CCC(F)(F)C(F)C=O;JAUYOZVVUUEHPC-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233267;MM233267;N#CCC(F)(F)C(F)C#N;SNIBRBISUWKFDR-UHFFFAOYSA-N;148.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233268;MM233268;C=CC(C)C(C)(C)NC=N;QCZSCJZHPFSBEM-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233269;MM233269;CC(CO)NC(=O)N(C)N;CIDZSPAWQOSMOP-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233270;MM233270;CC(C)(NC=O)C(O)C=O;AYVXHJFYKFMGML-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233271;MM233271;C=CC(C)C(C)(C)NN=C;GSDNWQGXYFHEQR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233272;MM233272;C=C(CO)NC(=N)C(N)=O;CWKNKQWORBVMDS-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233273;MM233273;CC(C)(OC=O)C(O)C=O;YVYNJFZBRJBYAL-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233274;MM233274;C=CC(N)C(C)(C)ON=C;UMYPFPSUADBZLN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233275;MM233275;C=CCC(C)(C)N(C)C=N;AQSXPGJTRZLAKH-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233276;MM233276;O=CON=CN(O)CCO;SVSXVSFGCGHYCY-UHFFFAOYSA-N;148.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233277;MM233277;C=CCC(C)(C)N(N)C=N;VPNYXDNJPQQPLF-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233278;MM233278;C=CCC(C)(C)N(N)C=O;PDGFJUKLOGSLIN-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233279;MM233279;N#CC(=N)NCC(=O)C#N;FDVUIEQWBWWADE-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233280;MM233280;CN(C=O)NCC1(O)CC1;QPXSNWYTRCMKFD-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233281;MM233281;C#CCC(C)(N)C(N)C=C;JNXLXAYEGZJVAC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233282;MM233282;C#CCC(C)(O)C(O)C=C;NVGFHZFACDFGAB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233283;MM233283;C#CCC(C)(O)C(F)C#N;JJSUXHIVBLXKOE-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233284;MM233284;C#CCC(C)(F)C(O)C=O;VYJORMXQVCSOJW-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233285;MM233285;C#CCC(F)(F)C(O)C#N;URHHAXFVCCZBEX-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233286;MM233286;C#CCC(C)(C)N(N)C=N;VCTNGHTWMCMTHQ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233287;MM233287;C#CCC(C)(C)N(N)C=O;VHTCTEGPQBVGQQ-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233288;MM233288;C#CC(N)C(C)(C)CCC;WKDHEHZYVVOVKD-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233289;MM233289;C#CC(N)C(C)(C)CCF;CJCCTJQCUZRZKO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233290;MM233290;C#CC(C)C(C)(N)CCN;HWEAQOKWLTWJKV-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233291;MM233291;C#CC(N)C(C)(N)CCC;UHYZUSYUUPCIMX-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233292;MM233292;C#CC(O)C(C)(N)CCC;AOYDLYLRZRYPII-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233293;MM233293;C#CC(O)C(C)(N)CCF;FSNYSCXMDBWSJZ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233294;MM233294;C#CC(F)C(C)(N)CCN;XYHMSECDXVGRBY-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233295;MM233295;C#CC(F)C(C)(N)CCO;NOTXQGZJDRDYBR-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233296;MM233296;C#CC(O)C(C)(O)CCF;HQWVVKFVMAFXLJ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233297;MM233297;C#CC(C)C(C)(F)CCF;GSCKZHBRIAKXKX-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233298;MM233298;C#CC(O)C(C)(F)CCN;PQYWISBVWUVYMP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233299;MM233299;C#CC(O)C(F)(F)CCO;RDRXCZSOVCDMFI-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233300;MM233300;C#CC(C)C(C)(C)CNC;MQDWOXIXUCNCEC-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233301;MM233301;C#CC(F)C(C)(C)CNC;SMUQQISGMIRNOQ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233302;MM233302;C#CC(O)C(C)(O)CNC;GCIYTVCYDJWZRT-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233303;MM233303;C#CC(N)C(C)(N)COC;LIPLITDXTQYUMP-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233304;MM233304;C#CC(O)C(C)(O)COC;QJIOCXXLVLDZNF-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233305;MM233305;C#CC(F)C(F)(F)COC;GZTYRLNRSABFIR-UHFFFAOYSA-N;152.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233306;MM233306;C#CC(C)C(C)(C)NCC;NBSPDUIUGRXKNS-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233307;MM233307;C#CC(O)C(C)(C)NCC;GHMXVDHVRIBECZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233308;MM233308;C#CC(C)C(C)(C)CC=O;HGKABJFBQWLSSI-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233309;MM233309;C#CC(N)C(C)(C)CC=C;VVZKRQWUJOKTRI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233310;MM233310;C#CC(O)C(C)(C)CC=C;NUZYLGNPFMPNOZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233311;MM233311;C#CC(C)C(C)(F)CC=O;LAUJOCHZVFMXNQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233312;MM233312;C#CC(F)C(F)(F)CC#N;KWSKUUICKZBKBN-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233313;MM233313;C#CC(C)C(C)(C)NC=N;BKWNUXLPJKMARA-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233314;MM233314;COC(=N)NC(=CF)CO;BFXYEFLYLIZETO-UHFFFAOYSA-N;148.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233315;MM233315;C#CC(C)C(C)(C)OC=O;MBRGUMHJPGDXLQ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233316;MM233316;N#CC(=N)NC(=CF)CO;AFDKBACRZCIWRZ-UHFFFAOYSA-N;143.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233317;MM233317;C#CCC(F)(F)C(O)C#C;YCHDXVSATKWUCY-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233318;MM233318;C=C(CN)C(C)(C)CCN;YRTOQQJRPCGPSK-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233319;MM233319;CNC(=O)C=NN=CNO;QHFPEXKFSGRFSC-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233320;MM233320;C=C(CO)C(C)(C)CCN;FVPCKUWXNSEPAI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233321;MM233321;CCC(=O)C(C)(C)CCF;NSNMYTOKOADYIV-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233322;MM233322;CCCC(C)(C)C(=O)CO;MAGHSJLLWXAVSM-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233323;MM233323;C=C(CN)C(C)(N)CCC;RIZLZYDMFQYNOS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233324;MM233324;C=C(CN)C(C)(N)CCF;XFICCKFCBDSJJZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233325;MM233325;C=C(CO)C(C)(N)CCC;YJASXLUSHUHLNU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233326;MM233326;C=C(CO)C(C)(N)CCN;NTOJOYIARROTHB-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233327;MM233327;C=C(CF)C(C)(N)CCF;MRLXOGVQEQXZOB-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233328;MM233328;C=C(CO)C(C)(O)CCN;FVFNXOISYJDNGD-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233329;MM233329;CCCC(C)(O)C(=O)CC;JTTDESFHPKOFBF-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233330;MM233330;CCC(=O)C(C)(O)CCF;UOROEQZKIQMWNB-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233331;MM233331;CC(O)(CCF)C(=O)CO;UJYMQLMNHDSMBR-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233332;MM233332;CC(O)(CCF)C(=O)CF;FYJIJKZFKIXNIE-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233333;MM233333;C=C(CN)C(C)(F)CCC;NZQXJILJUFNPCE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233334;MM233334;C=C(CN)C(C)(F)CCN;GSKSLVJJHXKFOD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233335;MM233335;C=C(CN)C(C)(F)CCF;MDMAKKIRTNRGNF-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233336;MM233336;CC(F)(CCO)C(=O)CF;BOZZINFFCCUEBO-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233337;MM233337;C=C(CN)C(F)(F)CCO;JXHAOZKVYSOVAQ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233338;MM233338;C=C(CO)C(F)(F)CCO;YQELVCUTHOSOFW-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233339;MM233339;C=C(CC)C(C)(C)CNC;YWMSYYNGEFEYKC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233340;MM233340;CCC(=O)C(C)(C)CNC;NNZQAVYEPJGCJG-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233341;MM233341;C=C(CO)C(C)(N)CNC;ROXYSDCCJQMWIO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233342;MM233342;C=C(CC)C(C)(F)CNC;PNEFNTBETARVLN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233343;MM233343;C=C(CN)C(C)(F)CNC;HUGFBRJJOXOLOF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233344;MM233344;CCC(=O)C(C)(F)CNC;XRKRESBNOAYDNK-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233345;MM233345;CCC(=O)C(C)(O)COC;JVPIHWBLKFUHIP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233346;MM233346;COCC(C)(O)C(=O)CF;LZUOQCBFZKGMML-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233347;MM233347;C=C(CO)C(C)(F)COC;KQJFURAQMQXOFB-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233348;MM233348;CNC(=N)C(C)(C)CCF;WWAZOJUGXJGIOL-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233349;MM233349;CNC(=O)C(C)(C)CCN;SMONYYXSQNWWIM-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233350;MM233350;C#CC(ON=C)ON=CC;OGBFMMGAMYCJMX-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233351;MM233351;CON=C(CNC=O)NO;NKYQQICJWDAEBP-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233352;MM233352;CCCC(C)(C)C(=O)NO;WMDGODGHVXTLMV-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233353;MM233353;CNC(=N)C(C)(N)CCO;OJNMIRNRWMJEER-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233354;MM233354;CNC(=N)C(C)(O)CCN;IKUNBFYIEWLKIR-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233355;MM233355;CNC(=N)C(C)(O)CCO;VDCNNMIZLLXLEY-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233356;MM233356;CC(O)(CCO)C(=N)NN;IERCLQMVJXYHHV-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233357;MM233357;CC(O)(CCO)C(=N)NO;HUGGECLBMNXCMS-UHFFFAOYSA-N;148.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233358;MM233358;CNC(=O)C(C)(O)CCF;WIZMYOTWYLGDCV-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233359;MM233359;C#CCNC(=NOC)NO;ANGQOXJKHGFXJQ-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233360;MM233360;CC(O)(CCO)C(=O)NO;HPOBIYMDECUNMI-UHFFFAOYSA-N;149.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233361;MM233361;CCCC(C)(F)C(=O)NN;IUTNLRIGDWJQIE-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233362;MM233362;CCCC(C)(F)C(=O)NO;HEWQSLMNELCJHK-UHFFFAOYSA-N;149.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233363;MM233363;CNCC(C)(C)C(=O)NC;MAQFBVVHPVXAAA-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233364;MM233364;CNCC(C)(N)C(=N)NO;FVJHUPSTVHTCKC-UHFFFAOYSA-N;146.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233365;MM233365;CNCC(C)(N)C(=O)NC;VLVAAHZAZSEAKC-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233366;MM233366;CNCC(C)(O)C(=N)NC;DOXXTVRGWIQYCB-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233367;MM233367;CNCC(C)(O)C(=N)NN;GSQPNHCOWVDMRR-UHFFFAOYSA-N;146.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233368;MM233368;CNCC(C)(O)C(=N)NO;CVZNKMCFPWOXKY-UHFFFAOYSA-N;147.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233369;MM233369;CNCC(C)(O)C(=O)NN;WGSQVHVOQFYECB-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233370;MM233370;CNN(C(N)=O)C(=O)OC;DMCXWSJZGMYOPY-UHFFFAOYSA-N;147.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233371;MM233371;C=CN(N=CNO)C(N)=O;WCNZYWOYJOILPE-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233372;MM233372;Cn1c(=O)cc(CO)n1N;ABCFJZOKRNWFCA-UHFFFAOYSA-N;143.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233373;MM233373;CNC(=N)C(C)(O)COC;XZBKAJROTNEHHD-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233374;MM233374;COC(=O)C(C)(C)CCO;UNOIUIVUMLPSGG-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233375;MM233375;C=C(OC)C(C)(N)CCF;LKDOHOQRMZUBHJ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233376;MM233376;CCCC(F)(F)C(=O)OC;ZOZHZXVAXQOEQL-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233377;MM233377;COC(=O)C(F)(F)CCN;SAUQRDDXCQRZKM-UHFFFAOYSA-N;153.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233378;MM233378;C=C(OC)C(C)(N)CNC;FNKFIPCRHOUQHR-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233379;MM233379;C=C(OC)C(C)(O)CNC;CZOYICZJIFHHBE-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233380;MM233380;C=C(CN)C(C)(C)NCC;XGRWMGMNDSKXHU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233381;MM233381;C=C(CC)C(C)(C)CC=O;NJLQZCDVKXPBPM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233382;MM233382;Nn1cc(CO)n(N)c1=O;GJWUCNLYAIBJOF-UHFFFAOYSA-N;144.13;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233383;MM233383;C=CC(CO)C(=NN)NO;QMTYVQXECRNITB-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233384;MM233384;C=CCC(C)(C)C(=O)CC;LYHOKLPEHBTETF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233385;MM233385;CCC(=O)C(C)(C)CC=O;CCLSDERGCLTFNK-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233386;MM233386;C=C(CO)C(C)(O)CC=O;BSTCVTSHVHAQED-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233387;MM233387;CC(O)(CC#N)C(=O)CO;YJCSRMOCRUZKIY-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233388;MM233388;C=CCC(C)(O)C(=O)CF;XKJACFHLMCOUCL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233389;MM233389;C=C(CC)C(C)(F)CC=O;DHEJDZXQNZBGLT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233390;MM233390;C=CCC(C)(F)C(=C)CN;LHYAESKMUQJPKB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233391;MM233391;C=C(CO)C(C)(F)CC#N;LSZHYUVIRQOOEY-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233392;MM233392;CC(F)(CC#N)C(=O)CO;ZGQKSVUVOJMTCX-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233393;MM233393;O=CCC(F)(F)C(=O)CO;ADFIRQSKYFIUKX-UHFFFAOYSA-N;152.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233394;MM233394;C=CCC(C)(C)C(=N)NC;ZRXMIYJZEJJSKO-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233395;MM233395;CN=C(N)C(C)(C)CC=O;PAKDQFHANZLCOD-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233396;MM233396;C=CCC(C)(C)C(=N)NN;JNEXSGBRXHXQCO-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233397;MM233397;C=CCC(C)(C)C(=N)NO;OLGBDLYAGJKQMA-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233398;MM233398;N#CC(C#N)NC1CC1O;VNPULRXIFFTMJD-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233399;MM233399;C=CCC(C)(C)C(=O)NO;HSFXNJMBLHVCAH-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233400;MM233400;CC(C)(CC=O)C(=O)NO;LHDVYVXKQFTVGH-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233401;MM233401;C=CCC(C)(F)C(=O)NN;HAYBLNQUTXFUOR-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233402;MM233402;C=CCC(C)(F)C(=O)NO;VTOJIDPHZHDFCU-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233403;MM233403;C=C(OC)C(C)(C)CC=O;VSSBCAXLDVUQCQ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233404;MM233404;COC(=O)C(C)(O)CC=O;BLKTWPURIXNYCN-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233405;MM233405;C=CCC(C)(F)C(=O)OC;KAQUYPCKSHDCFR-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233406;MM233406;C=CCC(F)(F)C(=O)OC;IBDXSDJXVAKBHH-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233407;MM233407;c1cn[nH]c1;WTKZEGDFNFYCGP-UHFFFAOYSA-N;68.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233408;MM233408;CC(C)(N=CN)C(=O)CO;DTCFYMGPZOPAQC-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233409;MM233409;C=NNC(C)(C)C(=C)CC;ZFVKIVBNCOEDQE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233410;MM233410;OCC1NC1CO;NVZSIOPHWFPCPE-UHFFFAOYSA-N;103.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233411;MM233411;C=NNC(C)(C)C(=C)CF;CETXTOMFDFEGQD-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233412;MM233412;NN=C1C=C(N)CO1;IRCUGLGGGAOETG-UHFFFAOYSA-N;113.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233413;MM233413;C=C(OC)C(C)(C)NC=N;NQRPZSPOICGXSN-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233414;MM233414;CC(C)(OC=O)C(=O)CO;CIZDGUNVPOQESV-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233415;MM233415;CNC(=N)C(C)(C)OC=O;FJEHNJMUPWFSBG-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233416;MM233416;COC(=O)C(C)(C)OC=O;RUJBSTUWWCXDHQ-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233417;MM233417;C=NOC(C)(C)C(=O)OC;GZHUNONEBMXDPG-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233418;MM233418;CC1(O)CC1N1CC1;XGBDDTHPMYNICU-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233419;MM233419;C#CCC(C)(O)C(=O)CO;SDLVGNTYANHYEM-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233420;MM233420;C#CCC(C)(F)C(=C)CN;XMDASQHDTMBRAV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233421;MM233421;C#CCC(C)(F)C(=O)CO;AOTHUZBURJECHM-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233422;MM233422;C#CCC(F)(F)C(=O)CO;JFRDTADLACSCSI-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233423;MM233423;CC#Cc1cc[nH]n1;JOGSUUOMGFBTQV-UHFFFAOYSA-N;106.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233424;MM233424;C#CCC(C)(C)C(=O)NO;GXYOYCIUEKKFEK-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233425;MM233425;C#CCC(C)(O)C(=N)NN;OKUVVZMXQFWNJR-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233426;MM233426;C#CCC(C)(O)C(=N)NO;WFMHVLSBRRTZGF-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233427;MM233427;OCC=NN=CNO;HPEORRQHTRGCGS-UHFFFAOYSA-N;117.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233428;MM233428;C#CCC(C)(O)C(=O)NO;BIJYSOUHDJABIG-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233429;MM233429;C#CCC(C)(F)C(=O)NN;FBYMNGHCYFOFIB-UHFFFAOYSA-N;144.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233430;MM233430;C#CCC(C)(C)C(=O)OC;NRPMIZFGLVJJOU-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233431;MM233431;CN1C(CO)C1CO;HUSTYCHBZCSOJB-UHFFFAOYSA-N;117.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233432;MM233432;C=CC(=O)C(C)(C)CCC;CCQJRKFYNUDXTA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233433;MM233433;C=CC(=O)C(C)(C)CCO;WXUDLIVTMRVTSD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233434;MM233434;C=CC(=O)C(C)(C)CCF;IMEFZQFKZJVOLS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233435;MM233435;CCCC(C)(C)C(=O)C#N;GVQBKSMHNWTKHR-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233436;MM233436;C=C(C=O)C(C)(O)CCC;VPALCVVDONFSIN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233437;MM233437;C=C(C#N)C(C)(O)CCC;PDTGMYVYCQFHEB-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233438;MM233438;C=C(C#N)C(C)(O)CCO;INHOTVRSOQJWMM-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233439;MM233439;CC(O)(CCO)C(=O)C#N;XJHHLVCECPTMIG-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233440;MM233440;C=C(C=O)C(C)(F)CCF;PTVSBDJAYPKHST-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233441;MM233441;C=C(C#N)C(C)(F)CCF;CMTYSJPAUBHXTG-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233442;MM233442;C=CC(=O)C(C)(F)CCF;SPQFEKWITQWKRJ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233443;MM233443;C=CC(=C)C(C)(C)CNC;QTWZZEPUDNZGPK-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233444;MM233444;C=C(C=O)C(C)(C)CNC;BQULWOBTFBYPTF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233445;MM233445;C=C(C#N)C(C)(C)CNC;QYHWJCODFFXDEZ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233446;MM233446;CNCC(C)(O)C(=O)C=O;LEWRIVSBVNAGFX-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233447;MM233447;C=C(C#N)C(C)(O)COC;QQELQRINMIRQNK-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233448;MM233448;C=CC(=C)C(C)(C)NCC;JLORABUKABQUKK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233449;MM233449;C=CC(=O)C(C)(C)NCC;FQJYVHFEOUTPLQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233450;MM233450;CCNC(C)(C)C(=O)C#N;FZYOVUGOABKSMQ-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233451;MM233451;CCOC(C)(C)C(=O)C=O;BDFQPYIUXACYIL-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233452;MM233452;C=CC(=C)C(C)(C)CC=O;LJIJZZIIHFAUDO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233453;MM233453;C=C(C#N)C(C)(C)CC#N;SGYPJFVGTWLFDU-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233454;MM233454;C=CCC(C)(C)C(=O)C#N;TYGHRVRJPYJVGM-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233455;MM233455;C=CCC(C)(O)C(=C)C#N;HIFOBHIKGCOJAK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233456;MM233456;C=C(C#N)C(C)(O)CC#N;PSSSIKAJVUNCGO-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233457;MM233457;CC(O)(CC#N)C(=O)C=O;JTSLOXZJGSSWRP-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233458;MM233458;CC(O)(CC=O)C(=O)C#N;DDMCXEVBDJXSAA-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233459;MM233459;C=CC(=C)C(C)(F)CC=O;WVUCQGIOYXKNHV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233460;MM233460;C=C(C#N)C(C)(F)CC=O;UIRJAJXZMDZYAP-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233461;MM233461;CC(F)(CC=O)C(=O)C=O;WQFOGLZQHDUWKR-UHFFFAOYSA-N;146.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233462;MM233462;O=CCC(F)(F)C(=O)C=O;WQJZWHJZHQJHSH-UHFFFAOYSA-N;150.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233463;MM233463;C=CC(=C)C(C)(C)NC=N;VTLDEIYNGUBOAZ-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233464;MM233464;CC(C)=NOCC(C)O;OEKUTWAWBRHWCM-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233465;MM233465;C=CC(=C)C(C)(C)NN=C;ZDZVONLJLLTFFO-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233466;MM233466;CC(O)CON=CNN;PJJWIRZQBNGKFO-UHFFFAOYSA-N;133.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233467;MM233467;C=CC(=O)C(C)(C)NN=C;DJAJUKYNGOAVTA-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233468;MM233468;C=CC(=O)C(C)(C)OC=O;PLOWKSUCGSQQOK-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233469;MM233469;C=NOC(C)(C)C(=C)C=O;BTKFIUXVFLNFMS-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233470;MM233470;C=NOC(C)(C)C(=C)C#N;ISEPVNQHBDTIHP-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233471;MM233471;C=CC(=O)C(C)(C)ON=C;HCMVQPDTBJRPRR-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233472;MM233472;C=NOC(C)(C)C(=O)C#N;AGLULZAFEFTXHZ-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233473;MM233473;C#CCC(C)(C)C(=C)C=O;NGEYUSKEVSRINS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233474;MM233474;C#CCC(C)(C)C(=C)C#N;SEASUTNQRHTCSH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233475;MM233475;C#CCC(C)(C)C(=O)C#N;AFCCWBTYLTXMBR-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233476;MM233476;C#CCC(C)(O)C(=O)C=O;IGLDWWBARYZXRK-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233477;MM233477;C#CCC(C)(O)C(=O)C#N;HBRRBRPALSFNRZ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233478;MM233478;C#CCC(F)(F)C(=O)C=O;ASFVQVUEFCCRBV-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233479;MM233479;C#CC(=O)C(C)(C)CCF;UISQHDSTBWXUMW-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233480;MM233480;C#CC(=O)C(C)(O)CCO;MTGYQYXPOCYTGS-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233481;MM233481;C#CC(=O)C(C)(F)CCF;QBDQNNFFTSUNEZ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233482;MM233482;C#CC(=O)C(F)(F)CCO;LTOSYOJVXVOYPX-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233483;MM233483;C#CC(=C)C(C)(C)CNC;VILOOVNGPHKTRU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233484;MM233484;C#CC(=O)C(C)(C)CNC;QSWHYJRKTQKXBC-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233485;MM233485;C#CC(=O)C(C)(O)CNC;QYHRFASFDHKLTQ-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233486;MM233486;C#CC(=C)C(C)(F)CNC;WIELQWVWFLHDHD-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233487;MM233487;C#CC(=C)C(C)(O)COC;VZGOIGPLSNEQGC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233488;MM233488;C#CC(=C)C(C)(C)CC=O;JCUHATVFQMPOPE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233489;MM233489;C#CC(=O)C(C)(C)CC=C;XHTQNIOBPHNDQJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233490;MM233490;C#CC(=O)C(C)(C)CC=O;XPTJNXKJEACHIU-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233491;MM233491;C#CC(=O)C(C)(O)CC=C;GIKLJIJWEGUIFB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233492;MM233492;C#CC(=C)C(C)(C)NC=N;NFDFCQZLUVKAGV-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233493;MM233493;C#CC(=C)C(C)(C)NC=O;CZJKCZVHCLNRTN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233494;MM233494;C#CC(=C)C(C)(C)NN=C;OIIWBLVANBBRNS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233495;MM233495;C#CCC(C)(O)C(=O)C#C;UDSAINTUUJIZIE-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233496;MM233496;CC(CN)C(C)(C)C=CF;SHGKHHIDUACUKZ-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233497;MM233497;CC(CF)C(C)(C)C=CF;YIKPOJHJANDMKZ-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233498;MM233498;CCC(N)C(C)(C)C=CF;IJGDPCFDWJJFTR-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233499;MM233499;CC=CC(C)(C)C(N)CN;LYJWKKNLQACQFL-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233500;MM233500;CC(C)(C=CF)C(O)CO;BNVWXYWTUHVEGC-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233501;MM233501;CC(C)(C=CF)C(F)CN;MXCNEIBVPOUNKI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233502;MM233502;CCC(C)C(C)(N)C=CF;JUUNJKZVBXTTSS-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233503;MM233503;CC=CC(C)(N)C(C)CN;INTVBLWVMVVFCR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233504;MM233504;CC=CC(C)(N)C(C)CO;BBLLAAFJFUSHDT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233505;MM233505;CC(CF)C(C)(N)C=CF;QCBSGXUSGQNAMG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233506;MM233506;CC(N)(C=CF)C(N)CF;DTLVHTIQOKPLCX-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233507;MM233507;CC=CC(C)(N)C(O)CN;XKOWKFSWBHKINJ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233508;MM233508;CC(N)(C=CF)C(F)CN;IBRJEIIPYIERAV-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233509;MM233509;CC=CC(C)(O)C(C)CN;MBIUOWLHBOQMDB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233510;MM233510;CC=CC(C)(O)C(N)CO;WDTMKWFHVBJLEJ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233511;MM233511;CC=CC(C)(F)C(C)CN;VRKUNXHMRJUDRB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233512;MM233512;CC(CN)C(C)(F)C=CF;MHIPUZYRJYSWGR-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233513;MM233513;CC(CO)C(C)(F)C=CF;NZCXQSAABQTCST-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233514;MM233514;CC(CF)C(C)(F)C=CF;NZUDUMUJNBIVMQ-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233515;MM233515;CC=CC(C)(F)C(N)CN;KCHWUSKZGNDSMM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233516;MM233516;CC=CC(C)(F)C(O)CN;OBOFRTGHFJBQAC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233517;MM233517;CC=CC(C)(F)C(O)CO;ZFCWJFYZGJUCLZ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233518;MM233518;CC=CC(F)(F)C(C)CN;AQTYRSXFGFKNSU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233519;MM233519;CC(CN)C(F)(F)C=CF;RXXQOJLPJBKFKG-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233520;MM233520;CC(CN)C(C)(C)C=NO;RRBGCZVFVQCIAC-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233521;MM233521;CC(CO)C(C)(C)C=NO;CYDZDNRXPFNTMD-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233522;MM233522;CC(C)(C=NO)C(N)CF;DKEAQLMBAFDSCV-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233523;MM233523;CC(C)(C=NO)C(O)CO;BUDWQXVCAGATDA-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233524;MM233524;CCC(F)C(C)(C)C=NN;WEGCRZGSSRCTGA-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233525;MM233525;CCC=NOCC(C)O;LARXLALYYVNYMV-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233526;MM233526;COC=NOCC(C)O;YUOOGTJNLBOULS-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233527;MM233527;CC=CC(C)(C)C(C)NC;ANQMYRPHDOKXQK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233528;MM233528;CNC(C)C(C)(C)C=CF;COUPKYOCWDRWBQ-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233529;MM233529;CNC(C)C(C)(O)C=CF;SNOYVVUXEBKZHO-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233530;MM233530;CNC(C)C(C)(C)C=NN;VGTXKSRDKFXXAF-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233531;MM233531;CC(C=O)C(C)(C)C=CF;NEOFTJUCFVIXKC-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233532;MM233532;C=CC(C)C(C)(N)C=CF;UJOFLVOMSUPFNO-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233533;MM233533;C=CC(O)C(C)(N)C=CF;FAVRFYDGEBEYBP-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233534;MM233534;C=CC(C)C(C)(O)C=CF;HQDPRAROCWDUGT-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233535;MM233535;CC(C=O)C(C)(O)C=CF;JLJLISGMIARYEY-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233536;MM233536;CC=CC(C)(O)C(O)C=O;LYFMTSPJWZEHPE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233537;MM233537;CC=CC(C)(O)C(O)C#N;OOBVODXXQGQRAS-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233538;MM233538;CC(O)(C=CF)C(O)C=O;JGIRYFCVRIPESP-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233539;MM233539;CC=CC(F)(F)C(O)C=O;XQTIULMZMCHDOP-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233540;MM233540;O=CC(O)C(F)(F)C=CF;SMSRKPFRVGCUEV-UHFFFAOYSA-N;154.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233541;MM233541;N#CC(O)C(F)(F)C=CF;HJGCFLCLHFNXMD-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233542;MM233542;C=CC(C)C(C)(C)C=NN;YDVARVICZUEKID-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233543;MM233543;C=CC(C)C(C)(C)C=NO;QFQQZWVPCDOUAM-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233544;MM233544;C=CC(N)C(C)(C)C=NO;WZDGRIACFKUPJL-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233545;MM233545;CC(C)(C=NO)C(O)C=O;VURUCNWBTRGDDS-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233546;MM233546;C#CCn1cc(F)c(O)n1;KOOHDDODIBVYGE-UHFFFAOYSA-N;140.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233547;MM233547;C=CC(C)C(C)(F)C=NN;YSHITUGDINELLZ-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233548;MM233548;C=CC=NOCC(C)O;OGJZNSFYXBPPCY-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233549;MM233549;CNc1noc(N)c1O;SFWGBINHNNLKJT-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233550;MM233550;Nc1nn(N)cc1O;MODQWGNOZLOODU-UHFFFAOYSA-N;114.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233551;MM233551;NN=c1[nH]oc(=NN)o1;UTJVPKWSGZVXOQ-UHFFFAOYSA-N;131.1;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233552;MM233552;CC=CC(C)(C)N(N)C=O;PPAWLDQWNAAYJC-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233553;MM233553;CC(C)(C=NN)N(N)C=O;JOGRFLCQTBTBCB-UHFFFAOYSA-N;144.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233554;MM233554;C#CC(N)C(C)(N)C=CF;QPTVMTTULTVRPS-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233555;MM233555;C#CC(C)C(C)(O)C=CF;NSTIBQBIILKKOC-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233556;MM233556;C#CC(N)C(C)(O)C=CC;CAKQRVVMFRTKCO-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233557;MM233557;CC(O)CON=CC=O;CPLSSVROBJLJLP-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233558;MM233558;C=NN=CN(O)CCO;VGLLOCJRXAQELD-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233559;MM233559;C#CC(C)C(C)(F)C=NN;ZONYKLWLXHGVCD-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233560;MM233560;C#CC(F)C(F)(F)C=NN;LKHLHINGPDPSBJ-UHFFFAOYSA-N;150.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233561;MM233561;CC=CC(C)(C)C(=O)CO;XWVHHIJKJASMIJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233562;MM233562;C=C(CN)C(C)(N)C=CF;OILNNISVULSZJZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233563;MM233563;C=C(CO)C(C)(N)C=CC;UGWCOJPPUUMTKR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233564;MM233564;CCC(=O)C(C)(O)C=CF;USKJRMARJHMYJW-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233565;MM233565;CC(O)(C=CF)C(=O)CO;VCXKCCRKSIRHLS-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233566;MM233566;C=C(CN)C(C)(F)C=CF;BTEDUHFFLZTVJE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233567;MM233567;Nn1cc(CO)cc1F;DPIFGCKGDLTVJL-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233568;MM233568;CCC(=O)C(C)(C)C=NO;GRHABRJTQSBTMN-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233569;MM233569;CNN=c1o[nH]c(=NN)o1;IZPYIJKWRZRRRR-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233570;MM233570;CC=CC(C)(C)C(=N)NN;VLJQDJFORWZFEF-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233571;MM233571;CC=CC(C)(C)C(=N)NO;BSWXKQCPIYTTHS-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233572;MM233572;CC=CC(C)(C)C(=O)NO;LJSVUQLWYJTOOT-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233573;MM233573;CNC(=N)C(C)(N)C=CF;IBVYNRRRZYPCRU-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233574;MM233574;CNC(=N)C(C)(O)C=CF;ILUIHSJWPJXEKO-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233575;MM233575;CC(O)(C=CF)C(=N)NN;MMRIEOAGMNGALU-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233576;MM233576;CC=CC(C)(O)C(=O)NC;FDAIFNWFVLDAEF-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233577;MM233577;CC(O)(C=CF)C(=O)NN;QMFDWZMFQXBEBF-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233578;MM233578;CC(O)(C=CF)C(=O)NO;BAJCVLAWKJJBBY-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233579;MM233579;CNC(=N)C(C)(O)C=NN;VSKFSPIDDBGLAM-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233580;MM233580;CC(O)(C=NN)C(=N)NN;LELZMZQAIIQNJL-UHFFFAOYSA-N;145.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233581;MM233581;CC1CN1C1CC1(C)O;OGGQJBQNNBSZAM-UHFFFAOYSA-N;127.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233582;MM233582;CC(O)(C=NN)C(=O)NO;SOTUCJABZKIJMM-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233583;MM233583;CNC(=N)C(F)(F)C=NN;XGPUFHXDUABUOM-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233584;MM233584;C=CC(=O)C(C)(C)C=CC;KOXWTBOWKQJNIO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233585;MM233585;CC=CC(C)(C)C(=O)C#N;KDKMJUBLKADCQE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233586;MM233586;C=C(C=O)C(C)(C)C=NO;CBTMEBFZEQMRMV-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233587;MM233587;CC(C)(C=NO)C(=O)C=O;WKMHOGFPKAJTEI-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233588;MM233588;C=CC(=C)C(C)(F)C=NN;IBTFNNVHDUKDSW-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233589;MM233589;O=CC(=NCCO)NO;XHHQYMGQBRENJD-UHFFFAOYSA-N;132.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233590;MM233590;COn1cnc(=NO)[nH]1;JGCYKKVOOUMUJZ-UHFFFAOYSA-N;130.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233591;MM233591;CC#CC(C)(C)C(C)CC;DQIKEAKMIVXVSJ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233592;MM233592;CC#CC(C)(C)C(C)CN;FQCJYMVQYJCHPB-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233593;MM233593;CC#CC(C)(C)C(N)CC;CSQBXUFSRBPCAJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233594;MM233594;CC#CC(C)(C)C(N)CN;WPRXQARIRDETFB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233595;MM233595;CC#CC(C)(C)C(N)CO;LEHOWXYGVVFSHK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233596;MM233596;CC#CC(C)(C)C(O)CN;AEZHWSXPGPYPLS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233597;MM233597;CC#CC(C)(N)C(N)CO;RIEIHEFMICTQMJ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233598;MM233598;CC#CC(C)(N)C(O)CN;ZYHBKSVCDKIHAY-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233599;MM233599;CC#CC(C)(N)C(O)CO;VVXPVDQXXOKFSI-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233600;MM233600;CC#CC(C)(O)C(N)CO;UVFZVODRPBBRSK-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233601;MM233601;CC#CC(C)(O)C(O)CN;HNFRPDSMLATWQW-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233602;MM233602;CC#CC(C)(O)C(O)CO;SAFINBVBBDNONH-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233603;MM233603;CC#CC(C)(O)C(F)CO;QEWHCDJHLKFNLO-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233604;MM233604;CC#CC(F)(F)C(O)CN;VQEVBOODBREAKF-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233605;MM233605;CC#CC(F)(F)C(O)CO;ZPXSPELAYPQWEA-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233606;MM233606;CC#CC(C)(O)C(C)NC;PTLIJJLBQQPULU-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233607;MM233607;CC#CC(C)(O)C(C)OC;XDCCBCFLSKFSEK-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233608;MM233608;C=CC(C)C(C)(C)C#CC;VASQFWABBKKUEL-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233609;MM233609;CC#CC(C)(C)C(C)C=O;FNDJVIVRSCVKJL-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233610;MM233610;C=CC(N)C(C)(C)C#CC;KXSCBBYHXCJZGZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233611;MM233611;CC#CC(C)(C)C(O)C=O;BXAWUEOJENJMTG-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233612;MM233612;C=CC(O)C(C)(O)C#CC;DTACLYBVGBVOSV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233613;MM233613;CC#CC(C)(F)C(C)C#N;JUNCEFYQUCMHQV-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233614;MM233614;CC#CC(C)(F)C(O)C=O;DJZZOBJSXDJSOZ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233615;MM233615;CC#CC(F)(F)C(C)C#N;PKSRMLTYGIXWDS-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233616;MM233616;CC#CC(F)(F)C(O)C#N;BLKSDYIUYLXDTM-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233617;MM233617;CC#CC(C)(C)N(C)C=N;WIIZSGRHIIIURB-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233618;MM233618;CC#CC(C)(C)N(C)C=O;INMTYWXAAIKMKD-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233619;MM233619;CC#CC(C)(C)N(N)C=O;GYOLYAKXAQAEDM-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233620;MM233620;C=NN(C)C(C)(C)C#CC;SIFOSYWYEGQZAS-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233621;MM233621;C#CC(C)C(C)(C)C#CC;ONHRQCAKKDBCAB-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233622;MM233622;C#CC(F)C(C)(O)C#CC;PRRBVNVCVZEVJI-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233623;MM233623;C#CC(C)C(C)(F)C#CC;BXMWRUVTZKVGGL-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233624;MM233624;C#CC(O)C(F)(F)C#CC;NJBBORCLNQAMAD-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233625;MM233625;C=C(CC)C(C)(C)C#CC;YBDOMHDASWQHIO-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233626;MM233626;C=C(CN)C(C)(C)C#CC;JADMNAGQHWJUNJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233627;MM233627;NN=CC=C(CO)CO;XLQZAWKKPCMLKI-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233628;MM233628;CC#CC(C)(C)C(=O)CC;KHHPPODYIDHTHV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233629;MM233629;C=C(CF)C(C)(N)C#CC;DEZMFXJJAFWSHQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233630;MM233630;C=C(CF)C(C)(O)C#CC;AJKXQXCVFKBZIE-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233631;MM233631;C=C(CO)C(C)(F)C#CC;BUMYFMJSPXCDEX-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233632;MM233632;CC#CC(F)(F)C(=O)CO;XUZPAEHCFAULLP-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233633;MM233633;CC#CC(C)(C)C(=N)NC;FZIQAGITSSGCLH-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233634;MM233634;C#CC1=NC(=NC)CN1;PYGCHRXBGXKHJD-UHFFFAOYSA-N;121.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233635;MM233635;CC#CC(C)(C)C(=O)NO;SMLZNLMGNFCLFL-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233636;MM233636;CC#CC(F)(F)C(=N)NC;ZLTBTVFMQMDPTP-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233637;MM233637;CC(F)C=NOCC(C)O;PMAUDGNOYKPSQS-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233638;MM233638;C=C(OC)C(C)(O)C#CC;NJWUDWDFRZIRHD-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233639;MM233639;C=CC(=C)C(C)(C)C#CC;KVOQCMBULVNQAU-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233640;MM233640;C=C(C=O)C(C)(C)C#CC;YINQNTHCFNBELI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233641;MM233641;C=C(C#N)C(C)(C)C#CC;HLLYECBMTILMDM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233642;MM233642;C=CC(=C)C(C)(N)C#CC;IKEVIGHNYXRBFW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233643;MM233643;C=CC(=C)C(C)(O)C#CC;BRCNYAPVDWBCBF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233644;MM233644;C=C(C=O)C(C)(O)C#CC;SGLGAXWKBNBMCW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233645;MM233645;CC#CC(C)(O)C(=O)C#N;CVCIUZWLRNUTJS-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233646;MM233646;C=CC(=C)C(C)(F)C#CC;YECCXASATIJQED-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233647;MM233647;C=C(C#N)C(C)(F)C#CC;JRHSTIHWDRLDLZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233648;MM233648;CC#CC(C)(F)C(=O)C=O;HXAGQDJINZCMMX-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233649;MM233649;CC#CC(F)(F)C(=O)C=O;VNGNDFAZVIFJHC-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233650;MM233650;C#CC(=C)C(C)(C)C#CC;ZLMIASPFKGQBSS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233651;MM233651;C#CC(=C)C(C)(N)C#CC;RJAYADNWOKRBHZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233652;MM233652;C#CC(=C)C(C)(O)C#CC;QCQRLECJZSPEJM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233653;MM233653;C#CC(=C)C(C)(F)C#CC;KTQKPCRUUAROMP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233654;MM233654;CC=C(C)C(C)(C)CCF;UPDTUCXGCSOOKZ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233655;MM233655;CC(=CF)C(C)(C)CCN;SFELIONFKJCHRR-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233656;MM233656;CC=C(C)C(C)(N)CCN;MTCFBKNZLWRTNO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233657;MM233657;CC=C(C)C(C)(N)CCF;MOFQTEQSEANROF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233658;MM233658;CCCC(C)(N)C(C)=CF;TVYCZLVAGQKAKN-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233659;MM233659;CC(=CF)C(C)(N)CCN;YRKMCTZQYQBFBB-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233660;MM233660;CC(=CF)C(C)(N)CCF;MRVVUGCDLRSQCR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233661;MM233661;CC=C(C)C(C)(O)CCN;UOTFMCODGNOCHA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233662;MM233662;CC=C(C)C(C)(O)CCF;SIJFFAMOBCTMSE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233663;MM233663;CC(=CF)C(C)(O)CCN;IVCODUZOEBTGFK-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233664;MM233664;CC(=CF)C(C)(O)CCF;GOHQRKDTXYVTGI-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233665;MM233665;CC=C(F)C(C)(O)CCF;BLELDHWCVLBFOL-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233666;MM233666;CC=C(C)C(C)(F)CCN;HIPQFGMWIMRSEP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233667;MM233667;CC=C(C)C(C)(F)CCF;CWCBGONPQNQFRQ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233668;MM233668;CC(=CF)C(C)(F)CCN;UKQDCWROMRQDIV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233669;MM233669;CC=C(C)C(C)(C)CNC;YGZFKIYVNYNCSP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233670;MM233670;CNCC(C)(C)C(C)=CF;JOVUNBSQQNGFNM-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233671;MM233671;CC=C(F)C(C)(C)CNC;QVEOIJKZAUUMAH-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233672;MM233672;CC=C(C)C(C)(N)CNC;RAFQLMJQLBPWLF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233673;MM233673;CC=C(C)C(C)(F)CNC;GZZVTWVUPMFCJP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233674;MM233674;CNCC(C)(F)C(C)=CF;BBTFKBRPRZZIDM-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233675;MM233675;CC=C(F)C(C)(F)CNC;ANGJFRAGAJIONI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233676;MM233676;CCCC(C)(C)C(C)=NN;QLJYCNCYGQWMSS-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233677;MM233677;CC(=NO)C(C)(C)CCN;UVYCNLMSIIGSMW-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233678;MM233678;CC(=NO)C(C)(N)CCO;NSWLAASVZGGJTN-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233679;MM233679;CCCC(C)(F)C(C)=NN;XYHXENGDZMWYJS-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233680;MM233680;CC(O)CON=CN(C)N;FDEPNIQLGXVLBI-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233681;MM233681;CCNC(C)(C)C(C)=CF;IXTMOHKMQYIOQU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233682;MM233682;CC=C(C)C(C)(C)CC=O;YDPXQZHIIJMKAD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233683;MM233683;C=CCC(C)(N)C(C)=CC;MFLVUYFEGXODTB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233684;MM233684;CC=C(C)C(C)(O)CC#N;NSTQYPNFUZFSEH-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233685;MM233685;CC(=CF)C(C)(O)CC=O;KFAAYXZNQGTPRY-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233686;MM233686;CC(O)(CC#N)C(F)=CF;GRHMTZUQIMIWDG-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233687;MM233687;CC=C(C)C(C)(F)CC=O;WKSNCVCDWNYTHL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233688;MM233688;C=CCC(F)(F)C(C)=CF;ILVMHCCVRGNCCR-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233689;MM233689;C=CCC(C)(C)C(C)=NN;LVEZBHZATXRQBH-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233690;MM233690;CC(=NO)C(C)(C)CC=O;MBKROODBSIGFLG-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233691;MM233691;CC=C(C)C(C)(C)NC=N;SPIFVHZCPOJZDC-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233692;MM233692;CC(=O)C=NOCC(C)O;JMIMSKLEOGLHCQ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233693;MM233693;C=NNC(C)(C)C(C)=CC;WWAPBOLITKIYOZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233694;MM233694;CC(=NN)C(C)(C)NC=N;QFBQJIDYAIQSBE-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233695;MM233695;CC(=NO)C(C)(C)NC=N;HCEONEJULCIHIW-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233696;MM233696;CC(=NO)C(C)(C)NC=O;FYOXUYPFNJCKDQ-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233697;MM233697;CC(=NN)C(C)(C)OC=O;KDRJXSAGMDYXSP-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233698;MM233698;CC1(O)CC1NC(=N)C#N;UMHWITDRMRFGTD-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233699;MM233699;C#CCC(C)(O)C(C)=CF;NOMBZBMILQTJCN-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233700;MM233700;C#CCC(C)(C)C(C)=NN;POLCOQQVGCJGAT-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233701;MM233701;CC=CC(C)(N)C(C)=CF;SMZJGDJOGSXXSE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233702;MM233702;CC=C(C)C(C)(C)C=NO;PLZNUSGIRMYNRG-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233703;MM233703;CC=CC(C)(C)C(C)=NN;ZHLZVPQDBOYQHE-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233704;MM233704;CC(=NO)C(C)(C)C=NO;KYZYEYBBLQSNCK-UHFFFAOYSA-N;144.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233705;MM233705;CC#CC(C)(C)C(C)=CC;LJRCIAPODOSVRH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233706;MM233706;CC#CC(C)(C)C(C)=CF;VVFLFNNUEYZQEX-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233707;MM233707;CC#CC(C)(O)C(C)=CC;UDGMOIZOLVMEEM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233708;MM233708;CC(O)CON=C(N)C=O;QOIHSMFVTQLJDT-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233709;MM233709;CC(C)(CCN)CCCF;PXKNVFQXRSWFDN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233710;MM233710;CCCC(C)(N)CCCN;KAWWWEWKIGVXBI-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233711;MM233711;CCCC(C)(N)CCCO;OAHXJJLYUYMGLU-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233712;MM233712;CCCC(C)(N)CCCF;QWBZMMRYASPAKU-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233713;MM233713;CCCCC(C)(N)CCN;CHYKZVMJIZNPFN-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233714;MM233714;CC(N)(CCO)CCCF;BSAZDHZOIFNXGJ-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233715;MM233715;CCCCC(C)(N)CCF;COXQMOLQWIPIIV-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233716;MM233716;CC(N)(CCF)CCCO;FEHDCYVLYNIDJX-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233717;MM233717;CCCC(C)(O)CCCN;PAFNDTMMAPVCLZ-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233718;MM233718;CCCC(C)(O)CCCO;AJZGLFMCYYLGCC-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233719;MM233719;CCCC(C)(O)CCCF;OTVUGQLKDFHVCY-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233720;MM233720;CC(O)(CCN)CCCN;JDSGGLFMLRYFPK-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233721;MM233721;CCCCC(C)(O)CCF;YEDRGPVXJPAKFR-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233722;MM233722;CC(O)(CCF)CCCN;GNDJVSJRRDOMST-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233723;MM233723;CC(O)(CCF)CCCF;TYTHBNREYUHVNP-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233724;MM233724;CCCC(C)(F)CCCN;FKHAPDZZVCPUQR-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233725;MM233725;CCCCC(C)(F)CCN;ZBHRGTLFKHKCKF-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233726;MM233726;CC(F)(CCF)CCCN;OMQAMJPTSHJQHU-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233727;MM233727;CC(F)(CCF)CCCO;MTVKENYAABBCGC-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233728;MM233728;CC(F)(CCF)CCCF;YFAKLVJNMUKUFB-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233729;MM233729;CCCC(F)(F)CCCN;RNKSQDVZNGFEFK-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233730;MM233730;CCCC(F)(F)CCCO;VAIDHZVTNZIUER-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233731;MM233731;CCCCC(F)(F)CCN;FQIKDIHRBFHKOJ-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233732;MM233732;NCCCC(F)(F)CCN;PEODBNUOZSGODZ-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233733;MM233733;FCCCC(F)(F)CCF;KNKGOBRDCZJMCO-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233734;MM233734;CNCCC(C)(C)CCN;KIIUPOIYUUPYLO-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233735;MM233735;CNCCC(C)(C)CCF;DGCDENPLWOFRND-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233736;MM233736;CNCCC(C)(N)CCO;LQLZHCQVDFHELD-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233737;MM233737;CNCCC(C)(O)CCN;MHFSYSXKPWCPJN-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233738;MM233738;CCCC(C)(F)CCNC;KZKUEADJWGKXHF-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233739;MM233739;CNCCC(C)(F)CCN;SHKUIDANGMPKBB-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233740;MM233740;CCCC(F)(F)CCNC;VENLQDAWIQNTGZ-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233741;MM233741;CNCCC(F)(F)CCN;CLIFAITXAJMUHS-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233742;MM233742;CCCC(C)(N)CCOC;APQYZBKYJFMZQH-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233743;MM233743;COCCC(C)(N)CCN;XCNMDKCCJYHLEM-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233744;MM233744;COCCC(C)(F)CCN;ZIPOQGCJQYPLRU-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233745;MM233745;COCCC(C)(F)CCF;MFDPYIYWEQSUDH-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233746;MM233746;COCCC(F)(F)CCN;SRWFLOSCGOUORL-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233747;MM233747;CNCC(C)(C)CCCN;CVYGMKYPYXUXCW-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233748;MM233748;CNCC(C)(C)CCCF;CLOPQHVEEMYHGB-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233749;MM233749;CCCCC(C)(O)CNC;RMGCKTOLSUHQDB-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233750;MM233750;CNCC(C)(O)CCCN;YOHVHMJXKGYXLS-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233751;MM233751;CNCCC(C)(C)CNC;KGSCTBXXKQLTJU-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233752;MM233752;CNCCC(C)(N)CNC;UMDDEXPNOOSMGS-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233753;MM233753;CNCC(C)(O)CCOC;NEGVGZUDKLZPJY-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233754;MM233754;CCCC(C)(C)CNCC;QAVRYYCLDJVYNC-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233755;MM233755;CCNCC(C)(C)CCN;HZROVLGYACJPJS-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233756;MM233756;CCNCC(C)(C)CCF;TYYHCHSUNFTCGB-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233757;MM233757;CCCC(C)(O)CNCC;NYWDMAXAGIOFKY-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233758;MM233758;CCCC(C)(F)CNCC;HRCOIBNGCAWHFJ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233759;MM233759;CCNCC(C)(F)CCF;CBNYXLGAJTVYDR-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233760;MM233760;CCNCC(C)(C)CNC;DFGKELVGSCLRSB-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233761;MM233761;CCNCC(C)(N)CNC;FIPFBPMQAWEVHE-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233762;MM233762;CCOCC(C)(C)CCO;CMOLFANJABJZCE-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233763;MM233763;CCCC(C)(N)COCC;JLMZZVPDFNNCCB-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233764;MM233764;CCOCC(C)(N)CCN;CIEWLTOUYOBQOS-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233765;MM233765;CCOCC(C)(N)CCF;UWCQLTNBASQLNA-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233766;MM233766;CCOCC(C)(O)CCF;MGTZINRZMHKMFX-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233767;MM233767;CCOCC(C)(F)CCN;NDKZULVWUOSRHA-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233768;MM233768;CCOCC(C)(F)CCO;HRYSNLBBSNDHIK-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233769;MM233769;CCOCC(C)(F)CCF;FQSAVWXGYCRDPT-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233770;MM233770;CCOCC(C)(C)CNC;LDJZRVQWNHURAC-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233771;MM233771;CCOCC(C)(F)CNC;MFVRBWXAJHKHAW-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233772;MM233772;CCCNC(C)(C)CCC;WFHHIJQKZIMVKH-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233773;MM233773;CCCC(C)(C)NCCN;VYDMLRCXCONJSH-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233774;MM233774;CCCC(C)(C)NCCO;NRGXKSPWXXPTDP-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233775;MM233775;CCCC(C)(C)NCCF;PGBZXFXYTONOPY-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233776;MM233776;CCCNC(C)(C)CCN;BXJGAHCDWMACDJ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233777;MM233777;CC(C)(CCN)NCCN;SLBLRVSAQVUOOX-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233778;MM233778;CC(C)(CCN)NCCO;YKBMDFJXKHXPHC-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233779;MM233779;CC(C)(CCO)NCCN;XEKMGTKVKXCNKR-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233780;MM233780;CC(C)(CCO)NCCO;VSZTVAKNVUOREY-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233781;MM233781;CCCNC(C)(C)CCF;FOZITBINWIPADB-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233782;MM233782;CC(C)(CCF)NCCF;TUNZSQUEQFBTJO-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233783;MM233783;CCCNC(C)(C)CNC;BHORFMIVYTUCBV-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233784;MM233784;COCC(C)(C)NCCO;AVWFWNWSJDLWSD-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233785;MM233785;CCCC(C)(C)OCCN;OPJJIGVEQRYADE-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233786;MM233786;CCCC(C)(C)OCOC;UDDGULMFCFWOAE-UHFFFAOYSA-N;146.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233787;MM233787;COCOC(C)(C)COC;CUGMXPQCNPKDNW-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233788;MM233788;CC(=NOCC(C)O)NN;SJRXKQKVQZZVQV-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233789;MM233789;C=CCCC(C)(N)CCF;RTNISTSWAXLXAW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233790;MM233790;C=CCCC(C)(O)CCN;VMNJEJKVGCWLEH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233791;MM233791;C=CCCC(C)(O)CCF;KPQPTURJZMDLEA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233792;MM233792;C=CCCC(C)(F)CCO;MHPZNLMIUNULDM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233793;MM233793;CC(F)(CCF)CCC=O;JXMVNDKTEMUJGJ-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233794;MM233794;C=CCCC(F)(F)CCC;RBBYPKGMHFQSQK-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233795;MM233795;C=CCCC(F)(F)CCN;HRVLNMBLKXBPBA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233796;MM233796;N#CCCC(F)(F)CCO;CGWNCMBFDBOCOP-UHFFFAOYSA-N;149.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233797;MM233797;O=CCCC(F)(F)CCF;RLBUXDDVSFZLKO-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233798;MM233798;C=CCCC(C)(C)CNC;JNDMIPNZVVTBJG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233799;MM233799;CNCC(C)(C)CCC=O;NDGHLDBEPHOWIO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233800;MM233800;C=CCCC(C)(N)CNC;QOFVSYGQMGSUBE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233801;MM233801;C=CCCC(C)(O)CNC;KSXCZSNPIFDNNF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233802;MM233802;CC(C)(CCN)CNC=O;IDTRYWOBYNONAB-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233803;MM233803;CC(C)(CCO)CNC=N;JNAGORHYAGGXQE-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233804;MM233804;CCC(C)=NOCC(C)O;DJIRDIJKXJYBDT-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233805;MM233805;CC(N)(CCN)CNC=N;WDVUAKMPKFNPNY-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233806;MM233806;CC(N)(CCN)CNC=O;UKNRKXALMYOORJ-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233807;MM233807;CCCC(C)(F)CNC=N;LJUYUVLONRAUNJ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233808;MM233808;C#CC(C)=NOCC(C)O;XKSJDMNTZDTNOY-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233809;MM233809;CCCC(F)(F)CNC=O;UXMDWSQBRGWVEV-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233810;MM233810;C=NNCC(C)(C)CCC;PBRMVRPRCHRDKJ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233811;MM233811;C=NNCC(C)(C)CCN;CIIYPUHUDKXNCH-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233812;MM233812;CNC(=O)CN(O)C=NN;BGKHEZKGAGFRRT-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233813;MM233813;C=NNCC(C)(C)CCF;UFZHRDFVHOIETA-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233814;MM233814;C=NNCC(C)(N)CCC;SJFHPQBHBFNELQ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233815;MM233815;C=NNCC(C)(N)CCN;AOJOSXURUIOBLW-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233816;MM233816;C=NNCC(C)(N)CCO;CGESKZNQBNDDEQ-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233817;MM233817;CCCC=NOCC(C)O;PGKQBFTXMUITJY-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233818;MM233818;CC(O)CON=CC=CF;XCYUBYQCNDIXJU-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233819;MM233819;C=NOCC1C(C)C1(C)O;HIHRJSSWSVCJOB-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233820;MM233820;O=CCN(O)C=NOC=O;KNQBLFFZYMKAIE-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233821;MM233821;CNCC(C)(C)CNC=N;MLRRUYYYQFOGIJ-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233822;MM233822;CNCC(C)(C)CNC=O;ICAPAEXJCPRZAF-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233823;MM233823;CNCC(F)(F)CNC=N;HTAKHFFRMGEYPW-UHFFFAOYSA-N;151.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233824;MM233824;C=NNCC(C)(N)CNC;MRDDKDKIOIHQEJ-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233825;MM233825;COCC(C)(O)CNC=O;XUEQASGSJZHHPX-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233826;MM233826;COCC(F)(F)CNC=N;JXBTZCQTQXFVFL-UHFFFAOYSA-N;152.14;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233827;MM233827;CC(=O)N(N)C(=NN)NO;QASGFFUEYVJJSA-UHFFFAOYSA-N;147.14;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233828;MM233828;C=NNCC(C)(F)COC;FNHDQUGPUZEUDX-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233829;MM233829;C=COCC(C)(C)CCN;IOBSEFDWNXJJBD-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233830;MM233830;CCCC(C)(N)COC=O;HCMCNOULRRRHJU-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233831;MM233831;C=COCC(C)(N)CCF;HLHIYPNVQIRULJ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233832;MM233832;CC(F)(CCF)COC=O;RQFHCXNNZNDOTO-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233833;MM233833;CCCC(F)(F)COC=O;HAXHSXFHZUUCEM-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233834;MM233834;C=NOCC(C)(N)CCO;BRZIYLDDJCFLDK-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233835;MM233835;C=NOCC(C)(F)CCF;SFAJKAKVIOYKED-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233836;MM233836;C=NOCC(F)(F)CCC;GPLZLNFGSLPLMD-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233837;MM233837;C=NOCC(F)(F)CCN;ILJOJQIOWXLUKR-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233838;MM233838;C=COCC(C)(C)CNC;IEJXDIOUYQBTPR-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233839;MM233839;CNCC(C)(C)COC=O;VGQOIOJUTZSHBG-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233840;MM233840;CNCC(C)(O)COC=O;VHMYXWUURWVJEY-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233841;MM233841;C=NOCC(C)(C)CNC;JIWLVFCOWNYCNT-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233842;MM233842;C=NOCC(C)(F)CNC;PESJPPRKFKATAI-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233843;MM233843;COCC(F)(F)COC=O;LJFJJGMLTALVOH-UHFFFAOYSA-N;154.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233844;MM233844;C=NOCC(F)(F)COC;RIWOKFSEOVSRMO-UHFFFAOYSA-N;153.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233845;MM233845;C=NNCC(C)(C)NCC;VNIWYBZYYNQXES-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233846;MM233846;C=NNCC(C)(C)OCC;YFKHIAPWKYUGEI-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233847;MM233847;CCCC(C)(C)NCC=O;CTEUIYSYNCWDJL-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233848;MM233848;CCCC(C)(C)NCC#N;YYEFKIQAACUZBN-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233849;MM233849;C=CCNC(C)(C)CCN;MLNBSFUVHCYEEW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233850;MM233850;C=CCNC(C)(C)CCO;HKZUSMAQOUOXBS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233851;MM233851;C=NOCCC1(O)CC1C;ALDHBRBSHRQCMB-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233852;MM233852;CC(C)(CCF)NCC#N;ZKWJAKWHVDMYAU-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233853;MM233853;C=CCNC(C)(C)CNC;UDYVAJVHYNOVQF-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233854;MM233854;CNCC(C)(C)NCC=O;HVXQNXNDZHPXJY-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233855;MM233855;CC1(CO)CC(C#N)=CN1;SHMTUKMNXAYSPB-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233856;MM233856;N=CN(C=O)CC1(O)CC1;YZHKNRUCTBHFLC-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233857;MM233857;CNCC(C)(C)NNC=O;VBJPCMWJINBBPK-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233858;MM233858;N=C(CF)NC(=CF)CO;SNEHLSYXLCPGNU-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233859;MM233859;CCCC(C)(C)OCC=O;GGKLILWAEBVDRI-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233860;MM233860;C=CCOC(C)(C)CCN;BULJUPVCMIKNGW-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233861;MM233861;C=CCOC(C)(C)CCO;QESNBDIGLKHTMJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233862;MM233862;CCCC(C)(C)ONC=N;OUNDEBXSVYNESN-UHFFFAOYSA-N;144.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233863;MM233863;CC(C)(CCN)ONC=N;NPBHHAGCRDOHGJ-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233864;MM233864;CC(C)(CCN)ONC=O;NPYZBXRBHFATSX-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233865;MM233865;CC(C)(CCO)ONC=N;DNYYWNPXYNQQEA-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233866;MM233866;CC(C)(CCF)ONC=O;WQJPOLROLCXUKI-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233867;MM233867;CCOC(C)(C)ONC=N;AJYJXCYJILQZMC-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233868;MM233868;C#CCCC(C)(N)CCF;FZJUPCJFXSIPHN-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233869;MM233869;C#CCNC(C)(C)CCO;NWBPAKHLMLLKOU-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233870;MM233870;C=CCC(C)(C)CCCN;VKAOCJADBUGLHO-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233871;MM233871;CC(C)(CC#N)CCCO;BKVDFDNSMAOWJU-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233872;MM233872;CC(C)(CC=O)CCCF;XUGRLURRCWMQAF-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233873;MM233873;C=CCC(C)(N)CCCN;HGZGPXRZUUCUPM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233874;MM233874;C=CCC(C)(N)CCCO;CBQFRUUPAUPNCU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233875;MM233875;C=CCC(C)(N)CCCF;AYLNFXAPARZYBE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233876;MM233876;C=CCC(C)(F)CCCF;MBAHJYOZMQIOFE-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233877;MM233877;CCCCC(C)(F)CC=O;DBKSNMPLNKFXGO-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233878;MM233878;CC(F)(CC=O)CCCO;BHAVOBUWZIVMOD-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233879;MM233879;C=CCC(F)(F)CCCN;VRVHNBAYASRLRT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233880;MM233880;C=CCC(F)(F)CCCF;AIRMCCVZABWGSK-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233881;MM233881;O=CCC(F)(F)CCCO;OMSQPRPZNHYMEC-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233882;MM233882;CNCCC(C)(C)CC=O;HYBZRJIVHPQBSP-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233883;MM233883;CNCCC(C)(O)CC=O;HSJZQGHWWBAYMC-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233884;MM233884;CNCCC(C)(F)CC=O;KJKJEKAZEPVDME-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233885;MM233885;CNCCC(C)(F)CC#N;JRVTZFWJTJKTGL-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233886;MM233886;C=CCC(C)(N)CCOC;VFWZKNBQZRBPOX-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233887;MM233887;C=CCC(C)(O)CCOC;QXLCRDRPYYAPBQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233888;MM233888;C=CCC(C)(F)CCOC;OOAGOXOZBOAUBX-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233889;MM233889;COCCC(C)(F)CC#N;SQIMDIQNWSQFJF-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233890;MM233890;C=CCC(F)(F)CCOC;KVYURJDFJLJZGQ-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233891;MM233891;C=CCC(C)(C)CNCC;WWVKRLJJYLBDRD-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233892;MM233892;CCNCC(C)(C)CC=O;FBEJTMAMEVUVGM-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233893;MM233893;C=CCC(C)(N)CNCC;BDPWSZVZLIKIOR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233894;MM233894;C=CCC(C)(O)CNCC;LEOSVVZMMCJESN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233895;MM233895;CCNCC(C)(F)CC=O;YURGRAAPLDOKOG-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233896;MM233896;CCOCC(C)(C)CC=O;YWLXPPAHJPTEHM-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233897;MM233897;CC(C)(CCCN)NC=N;TUXVBPVBXCCELZ-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233898;MM233898;CC(C)(CCCO)NC=N;XCQBKJJZMFLHOJ-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233899;MM233899;CC(C)(CCCF)NC=N;YRHFPFUMKLXIAQ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233900;MM233900;N#CC1(C#N)CC(O)CN1;GCZGUFSDJGUQJR-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233901;MM233901;C#CC1(C#N)CC(O)CN1;NCPIGMKCSAVIRD-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233902;MM233902;CNCCC(C)(C)NC=N;LKFBAGSUOKODKE-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233903;MM233903;C=NNC(C)(C)CCCC;SMQBEGPEWMSVKD-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233904;MM233904;C=NNC(C)(C)CCCN;UNYJGEZFZRTYHU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233905;MM233905;C=NNC(C)(C)CCOC;FUWIGDCSJUOHNZ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233906;MM233906;C=NNC(C)(C)CNCC;JQRZZKDDXNFQJF-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233907;MM233907;C=NNC(C)(C)COCC;LXJFIHHSOCIKJS-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233908;MM233908;CNCCC(C)(C)OC=O;POQPXSPGTRWCLQ-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233909;MM233909;C=NOC(C)(C)CCNC;CIYQEXNFFXTCHU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233910;MM233910;CCOCC(C)(C)OC=O;DBLCGDMSVMPCHV-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233911;MM233911;C=CCC(C)(C)NCCC;UQPKKBHQZJKXSY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233912;MM233912;C=CCC(C)(C)NCCO;PQEXGFFCJPZGLL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233913;MM233913;C=CCC(C)(C)NCCF;WQBMXMRVJBXQKY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233914;MM233914;CCCNC(C)(C)CC=O;FKUNPUVAWPBJNJ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233915;MM233915;CC(C)(CC=O)NCCF;QLUOJIFGGCRVAQ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233916;MM233916;C=CCC(C)(C)OCCN;DHZHSIOIQUQOPD-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233917;MM233917;C=CCC(C)(C)OCCO;MESDPXLOHRHOQS-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233918;MM233918;COCOC(C)(C)CC=O;VCFUVSNXNQNFLU-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233919;MM233919;COCOC(C)(C)CC#N;KSXQYGYDTVBRDH-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233920;MM233920;CC(C)(OC=O)OCCO;JGVRUBDYLNPSDE-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233921;MM233921;C=NOC(C)(C)OCCN;OXMQAIBIKWIODS-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233922;MM233922;C=NOC(C)(C)OCOC;GVNVMSULYPPLKD-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233923;MM233923;C=CCC(C)(C)CCC#N;XRENEMBTSNHKJN-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233924;MM233924;CC(C)(CC#N)CCC#N;QRDPQYAEUFMXQJ-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233925;MM233925;C=CCCC(C)(O)CC=O;BDZJRQGIPMUNQZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233926;MM233926;C=CCC(C)(F)CCC=O;YHGJMHFZMPDKHN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233927;MM233927;C=CCCC(C)(F)CC=O;SCFBZWPDRABYIB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233928;MM233928;C=CCC(F)(F)CCC=O;OEWWJHIJJMBDMN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233929;MM233929;C=CCC(C)(C)CNC=N;WRKCBAONTHLGPO-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233930;MM233930;CC(C)(CC=O)CN=CN;JYCKPPYMJHQFEF-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233931;MM233931;N#CC(=N)NC1(CO)CC1;OFLZOIJZRQSYLF-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233932;MM233932;C=CCC(C)(N)CNC=O;SJZDMZVJRGJWNT-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233933;MM233933;CC(O)(CC#N)CNC=O;PTLQUPRNTITLCR-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233934;MM233934;C=CCC(C)(F)CNC=N;BIKHWYJXDLLKCN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233935;MM233935;C=NNCC(O)CCOC;HQIFLOLCHNXLIA-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233936;MM233936;CC(F)(CC=O)CNC=O;NTHIFTWUVDKAQQ-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233937;MM233937;C=CCC(C)(C)CNN=C;XKFAWCMZTHVAIY-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233938;MM233938;CC#CCN(O)C=NOC;SKYSKLJIGFUTMN-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233939;MM233939;C=CCC(C)(F)CNN=C;HJXSAJVJTYQGDE-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233940;MM233940;CNC(=O)C(=N)NCC=O;BPKCCUNPHRLDNC-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233941;MM233941;CC(CO)CON=CCO;NIUQWDBSRFKIBC-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233942;MM233942;C=COCC(C)(C)CC=O;LTCRGJMWEDXUHX-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233943;MM233943;CC(C)(CC=O)COC=O;JSRXXXBMCJUJNF-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233944;MM233944;C=CCC(C)(F)COC=O;ATYDAIAUWVGABW-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233945;MM233945;N#CCC(F)(F)COC=O;GYQFHFDDUWZHQQ-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233946;MM233946;CNN=C(NO)C(C)CO;JRUDIIHKPHYQQZ-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233947;MM233947;C=NOCC(F)(F)CC#N;ULVYIVDDTIEHJI-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233948;MM233948;C=CCCC(C)(C)NC=N;GZWVZMQKTKVCMP-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233949;MM233949;CC(C)(CCC=O)N=CN;QYDVYHYSKHCCJK-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233950;MM233950;C=CCCC(C)(C)NN=C;CYBUGNWSBIXZBP-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233951;MM233951;CON=C(NO)NCCF;ITZSMORANIYQLF-UHFFFAOYSA-N;151.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233952;MM233952;CC#CC(=CC=NN)CO;NAHUKXJJAUOXTM-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233953;MM233953;C=COCC(C)(C)NC=N;HZDSLRONVPXGGK-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233954;MM233954;CC(C)(COC=O)NC=N;GPUQIZARNCEJKH-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233955;MM233955;C=NNC(C)(C)COC=O;VQZFKLDEQRBIJJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233956;MM233956;C=NNC(C)(C)CON=C;YVHWOGOQBGVCKK-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233957;MM233957;CC(C)(CCC=O)OC=O;CQMGDIXOZVZXTC-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233958;MM233958;C=NN(C)C(CO)C(N)=O;RUIATRBLUXGUEX-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233959;MM233959;CC(C)(COC=O)OC=O;BPQJWIAKYIGKQE-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233960;MM233960;C=CCC(C)(C)NCC=O;GNCWALTULCIKPU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233961;MM233961;C=CCC(C)(C)NCC#N;UITBSURDKXVHMY-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233962;MM233962;C=CCNC(C)(C)CC=O;MCTDBZUUEJRWLS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233963;MM233963;CC(C)(CC#N)NCC#N;XBACSZPIWUGXFS-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233964;MM233964;C#CCNN(C=O)C(N)=O;BELWJHMJPPHYMH-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233965;MM233965;C=CCC(C)(C)OCC=O;VAQGSOCYRDKCGB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233966;MM233966;C=CCOC(C)(C)CC=O;MJJTZXWVQFRWMM-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233967;MM233967;C=CCC(C)(C)ONC=N;MKLIUVCPOXOBIV-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233968;MM233968;C=CCC(C)(C)ONC=O;OIYQKWNRNBHDMF-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233969;MM233969;C=CCOC(C)(C)OC=O;MIHKCYCSCVMTCB-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233970;MM233970;Nn1cnc(=O)cc1CO;NOTVKUYIISPJMX-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233971;MM233971;C=NOC(C)(C)ONC=O;CWBGQKQFQJEDCS-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233972;MM233972;C#CCCC(C)(C)CC=O;BBZQSAOVAVGZBN-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233973;MM233973;C#CCCC(C)(O)CC=O;FIVRVKWSGOEGSK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233974;MM233974;C#CCCC(C)(F)CC=O;NCEVTZZLJRZWHM-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233975;MM233975;C#CCCC(C)(C)NC=N;SOOSEBSXJJBENI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233976;MM233976;C#CCCC(C)(C)NN=C;LNBJEAOZAWIEIQ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233977;MM233977;C#CCNC(C)(C)CC=C;ALKHEJJBBQBFQX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233978;MM233978;C#CCNC(C)(C)CC=O;QZEQGZBUVQXPBU-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233979;MM233979;C#CCC(C)(C)CCCC;YZFWDRNIDFFIBS-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233980;MM233980;C#CCC(C)(C)CCCN;XEYCIOQODQSWPT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233981;MM233981;C#CCC(C)(C)CCCO;IVJDRJXJNIVACT-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233982;MM233982;C#CCC(C)(C)CCCF;CVCDPSRRKCPGJY-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233983;MM233983;C#CCC(C)(N)CCCC;IMDYKBXWGKNJBQ-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233984;MM233984;C#CCC(C)(N)CCCO;CWMCGXWPEJFZDQ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233985;MM233985;C#CCC(C)(N)CCCF;CBRKEQSLYGZOAC-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233986;MM233986;C#CCC(C)(O)CCCN;NOBAHGFQGDJCMI-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233987;MM233987;C#CCC(C)(O)CCCO;KYAAQKQCSQJKPS-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233988;MM233988;C#CCC(C)(O)CCCF;AEEKCOPTITYLPB-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233989;MM233989;C#CCC(C)(C)CCNC;LLDGMTTVVMXNSG-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233990;MM233990;C#CCC(C)(N)CNCC;YBHLJBNNOWPHJX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233991;MM233991;C#CCC(C)(C)NCCO;CSBAFQUWBARJCX-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233992;MM233992;C#CCC(C)(C)NCCF;GPZSDMPHYLEVOO-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233993;MM233993;C#CCC(C)(C)CCC=C;RVQXLAMTFMEHJX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233994;MM233994;C#CCC(C)(C)CCC#N;VWLBQIGZXMPAIJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233995;MM233995;C#CCC(C)(N)CCC=C;UCDAKPSXNINEMW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233996;MM233996;C#CCC(C)(F)CNC=O;IUCLMMIIBUSGQB-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233997;MM233997;C#CCC(F)(F)CNC=N;DEVBBWNIKCODLX-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233998;MM233998;C#CCC(C)(C)CNN=C;AIADIVQATIDGRK-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM233999;MM233999;C#CCC(C)(N)COC=O;FQSIRZKTNGJSGV-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234000;MM234000;C#CCC(C)(C)CON=C;DPUJAHIEFQUCQF-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234001;MM234001;C#CCC(C)(N)CON=C;OTHYHBZZGLBFSM-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234002;MM234002;C#CC1CN1C1CC1(C)O;UYHOAWPDVUIJCS-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234003;MM234003;C#CCC(C)(C)NCC#N;VHNUSJWANWBDMO-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234004;MM234004;C#CCC(C)(C)OCC=O;IBQBRNJWHCBXSP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234005;MM234005;C#CCC(C)(C)ONC=O;WBFATAKCDOHVME-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234006;MM234006;C#CCCC(C)(N)CC#C;QEVMPQKGDOHPCI-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234007;MM234007;CC(C)(CC=CF)CCN;XUSQCJGYSQISHP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234008;MM234008;O=CC(CO)NN=CNO;YOZCGYPLPGAAOX-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234009;MM234009;CCCC(C)(N)CC=CF;RBLLDNBEQDYTOX-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234010;MM234010;CC=CCC(C)(N)CCN;DMTHOTWSKOTHLN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234011;MM234011;CC=CCC(C)(N)CCO;WBVRSYWTKLOSJT-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234012;MM234012;CC=CCC(C)(N)CCF;PKGDYIDUFMMFKI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234013;MM234013;CCCC(C)(O)CC=CF;SEJVCEMTCXANCD-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234014;MM234014;CC=CCC(C)(O)CCN;VHGJZLTWFLOVOD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234015;MM234015;CC=CCC(C)(O)CCF;YKMGEHASRSLKHY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234016;MM234016;CC(O)(CC=CF)CCF;OUBNNOZGXXESKV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234017;MM234017;CC(F)(CC=CF)CCN;DASSLWUGAQWNIL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234018;MM234018;CC(F)(CC=CF)CCF;XOJUGDLJWOUGCL-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234019;MM234019;CCCC(F)(F)CC=CF;UQTDTTPVZVABEE-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234020;MM234020;CC(C)(CC=NO)CCN;OPSMXNXNKMPOGB-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234021;MM234021;CC(F)(CC=NN)CCF;HHBAFWRDPAVIAM-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234022;MM234022;CC(F)(CC=NO)CCF;FXSCQDIGEBWMQL-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234023;MM234023;CCCC(F)(F)CC=NN;JUGDOSBPQQLQPC-UHFFFAOYSA-N;150.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234024;MM234024;CCCC(F)(F)CC=NO;DQELVQKTYJQCBC-UHFFFAOYSA-N;151.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234025;MM234025;NN=CCC(F)(F)CCF;BIPBCKGYHWBAKO-UHFFFAOYSA-N;154.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234026;MM234026;CNCC(C)(F)CC=CF;JOLQGGRYHDEUFD-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234027;MM234027;CNCC(C)(C)CC=NN;PLHQOOQOTTWERO-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234028;MM234028;CNCC(C)(C)CC=NO;NGOOKRDNKCGBPE-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234029;MM234029;CNCC(C)(O)CC=NN;QJILRNNKHVQVBR-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234030;MM234030;CCNC(C)(C)CC=CF;PNNCHWIVOOICCS-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234031;MM234031;CCCC(C)(C)N=CNN;LZBHSAJKIQBONO-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234032;MM234032;CN=CNC(C)(C)CCO;FZVVLEIGSDBGJV-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234033;MM234033;CC=NNC(C)(C)CCC;QGUGGDOWXSQGHB-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234034;MM234034;CC=NNC(C)(C)CNC;BEOLWZHBGBYMMZ-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234035;MM234035;CC(C)(CCO)OC=CF;ILUPFDMEFMTJJF-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234036;MM234036;CNCC(C)(C)OC=CF;STFGHAZTCSSSAG-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234037;MM234037;CC=NOC(C)(C)CCF;XTCKIYGITPUKBN-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234038;MM234038;CON=CC=C(CO)CO;VSHMIUCMJIVREU-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234039;MM234039;CC=CCC(C)(C)CC=O;ZWNBDXFPXGHBBL-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234040;MM234040;C=CCC(C)(N)CC=CF;PHYDUPRPGOOJMA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234041;MM234041;CC=CCC(C)(O)CC=O;BBIYZCNCQQVEPN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234042;MM234042;CC(C)(CC=O)CC=NO;MLDXTDXSUZJEME-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234043;MM234043;C=CCC(F)(F)CC=NO;NLUSODFZMPMLQK-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234044;MM234044;CC=CCC(C)(C)NC=N;DMRWZNAWJJGUCN-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234045;MM234045;CC(C)(CC=CF)NC=N;CBAIVJBQSSZXGK-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234046;MM234046;C#CC(CO)=C(C)C=NN;GYYDSIPKSCPDDJ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234047;MM234047;CC(C)(CC=NO)NC=N;FDICBVDSWMXQMF-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234048;MM234048;C=NNC(C)(C)CC=CC;DXJNFHGENRAVKR-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234049;MM234049;CN=CNC(C)(C)CC=O;OAAVSOFKZPUREG-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234050;MM234050;C#CC1=NC(=NCC)CN1;VDXVTIYNYWWWAP-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234051;MM234051;CC(C)(OC=O)OC=CF;GNOFSGUHKNZILR-UHFFFAOYSA-N;148.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234052;MM234052;C#CCC(C)(C)CC=CF;LAEBDTYQOYRARI-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234053;MM234053;C#CCC(C)(N)CC=CF;CLVSPQJGKVIECZ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234054;MM234054;C#CCC(C)(C)CC=NO;SBEJCPRUBZRYDO-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234055;MM234055;C#CCC(C)(N)CC=NO;KURPQINEJOEKAB-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234056;MM234056;CCc1onc(NN)c1N;JQLVHVYNSLGOEB-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234057;MM234057;C#CCC(C)(C)NC=NC;GDOGWCLNBTZOPU-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234058;MM234058;C#CCC(C)(C)NN=CC;HGPCPDZFZHTQDU-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234059;MM234059;C#CCC(C)(C)OC=CC;IGPOVJCJQCZNRR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234060;MM234060;C#CCC(C)(C)OC=CF;KIZCCQYAFGDJFK-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234061;MM234061;CC#CCC(C)(O)CCF;OSVUTKKMWGEXBO-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234062;MM234062;CC#CCC(F)(F)CCC;GJDMGZSNCAULNR-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234063;MM234063;CC#CCC(C)(O)CNC;QHHWZHUNJFYFSX-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234064;MM234064;CC#Cc1[nH]nc(C)c1C;VJPLIHXTUDFROU-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234065;MM234065;C=NNC(C)(C)CC#CC;BDGMHVLABSXLBT-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234066;MM234066;C#CCC(C)(C)CC#CC;ADRJXDVXKDLNPA-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234067;MM234067;C#CCC(C)(N)CC#CC;CPGPZDJMANJHEF-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234068;MM234068;CC=CC(C)(N)CCCN;ZVEJAMYEOACBGO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234069;MM234069;CC=CC(C)(N)CCCO;QRXJRLHVRSZHJY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234070;MM234070;CC(N)(C=CF)CCCF;OZZBOFJFFNGXMV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234071;MM234071;CC=CC(C)(O)CCCN;DNNKBLWXWSTDHI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234072;MM234072;CC=CC(C)(O)CCCO;GNHVCMUPIUPJLT-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234073;MM234073;CC(O)(C=CF)CCCF;JXLIRMNRFBKJSL-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234074;MM234074;CC=CC(C)(F)CCCF;HZQBLKQYBQWPDF-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234075;MM234075;CC=CC(F)(F)CCCF;UXHZURBHACLNBP-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234076;MM234076;CNCCC(C)(C)C=CF;ZZIDAQSGZNXHLE-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234077;MM234077;CC=CC(C)(N)CCNC;BSLYTXGPDPBRRG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234078;MM234078;CC=CC(C)(O)CCNC;IOVYGQVFOHDQNB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234079;MM234079;CC=CC(C)(F)CCNC;IMZAKSNVJZSUHE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234080;MM234080;CNCCC(F)(F)C=CF;DKTISURPFILVEO-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234081;MM234081;COCCC(C)(N)C=CF;JQZGKYYKBKTQGQ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234082;MM234082;COCCC(C)(O)C=CF;GIQCIBBTQSVHIM-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234083;MM234083;CC(C)(C=NN)CCCF;UHUBBSDKQWLHSQ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234084;MM234084;CCCCC(C)(N)C=NO;YAZORRUOCYBRSO-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234085;MM234085;CCCCC(C)(O)C=NO;OABJKLZXDRUPIK-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234086;MM234086;CC(F)(C=NN)CCCF;ZDNXSHSIEGNBIL-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234087;MM234087;NN=CC(F)(F)CCCF;WLDHGLUZEGCKEZ-UHFFFAOYSA-N;154.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234088;MM234088;CNCCC(C)(C)C=NN;LCRXWERIUKTJIC-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234089;MM234089;CNCCC(C)(N)C=NO;GCCOXXFWTDSKII-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234090;MM234090;COCCC(C)(F)C=NN;FGAGZKZQFQYKCJ-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234091;MM234091;CC=CC(C)(C)CNCC;MYRNWECQDGMKAH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234092;MM234092;CCNCC(C)(C)C=CF;NNFOXNAGUGYWFK-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234093;MM234093;CC=CC(C)(N)CNCC;ITJCMTOEOMMBFK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234094;MM234094;CCNCC(C)(O)C=CF;FZSXUZVZZYRCLM-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234095;MM234095;CC=CC(C)(F)CNCC;QUXFRCDPSZIDFJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234096;MM234096;CCNCC(C)(F)C=CF;VQJWKIHMCVLXRL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234097;MM234097;CC=CC(C)(C)NCCC;RVQQCIBJNGWQHS-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234098;MM234098;CC=CC(C)(C)NCCN;VSWOGWXCMLCCBQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234099;MM234099;CC=CC(C)(C)NCCO;KQCHMVYPYDRHJX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234100;MM234100;CCCNC(C)(C)C=CF;GTLJFVJMOLYUSQ-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234101;MM234101;CC(C)(C=CF)NCCO;DYIBEQOOLPAJCQ-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234102;MM234102;CCCNC(C)(C)C=NN;CDDQBAIPLLORGG-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234103;MM234103;CCCNC(C)(C)C=NO;VETXBCKGTLQAAT-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234104;MM234104;CC=CC(C)(C)OCOC;XOFKNAKNDYGOOJ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234105;MM234105;C=CCCC(C)(C)C=CC;FNSQTYYLBBEFBM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234106;MM234106;C=CCCC(C)(N)C=CF;FPIZAVLKFULNRS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234107;MM234107;CC(O)(C=CF)CCC=O;GOFGVXAGBPHZDX-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234108;MM234108;CC(C)(C=NO)CCC=O;BYCYCAOQRLMCJN-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234109;MM234109;C=CCCC(C)(O)C=NO;LNNPFRDQKJBKNX-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234110;MM234110;CC=CC(C)(O)CNC=N;PWPJZYOATHFDAU-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234111;MM234111;CC=CC(C)(O)CNC=O;VCSLKXNXDYXGIC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234112;MM234112;CC(O)(C=CF)CNC=O;VESRJNGRHWUNGY-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234113;MM234113;C=NNCC(C)(C)C=CC;NYZZVOWFMIWITR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234114;MM234114;C=NNCC(C)(C)C=CF;RIJKCVFYSDOZSL-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234115;MM234115;CC(C)(C=NO)CNC=O;HVIOWFRVTPZFCB-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234116;MM234116;CC(O)(C=NN)CNC=N;XHYPQZOTRHTSIC-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234117;MM234117;C#CC1(CO)CC1N1CC1;UNWYVHKKBNTLRQ-UHFFFAOYSA-N;137.18;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234118;MM234118;CC=CC(C)(C)COC=O;JTCGZKACAZRXDM-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234119;MM234119;CC(C)(C=CF)COC=O;IZSVPZZMKKLVBE-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234120;MM234120;NN=CN(O)CCO;ZQDPZZVCZFKICK-UHFFFAOYSA-N;119.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234121;MM234121;OCC1(N2CC2)CC1;RQEKIEVOEIIWLG-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234122;MM234122;C=CCNC(C)(C)C=CF;CSTOHYBGXQVLJC-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234123;MM234123;CC(C)(C=NO)NCC#N;NWEBQDPPXDTKCW-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234124;MM234124;CC1(O)CC1NCC#N;LAYJNRIWHXICDR-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234125;MM234125;CC(C)(C=NN)NNC=N;GOJUWAAKDRCAHZ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234126;MM234126;CNN=CN(O)CCO;CZBFIESYRVAXKD-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234127;MM234127;CC=CC(C)(C)OCC=O;GHUVYYKHNUZSHV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234128;MM234128;CC(C)(C=CF)OCC=O;VVDIEYFHBZMVDU-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234129;MM234129;CC=CC(C)(C)ONC=N;KDQDSMAHNAPWGW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234130;MM234130;CC=CC(C)(C)ONC=O;DWHCRBXZYYNLAU-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234131;MM234131;C#CCCC(C)(C)C=CC;IFUJHEOYFNKRPD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234132;MM234132;C#CCCC(C)(C)C=NO;RAAGJGIXFNEEOI-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234133;MM234133;CC=CC(C)(N)CC=CF;KTNYZRICUAKIGO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234134;MM234134;CC(N)(C=CF)CC=CF;KUIWPCRIPTXHTG-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234135;MM234135;CC(O)(C=CF)CC=CF;DQQYBWQOBLPJNU-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234136;MM234136;N=C(CF)N(N)C(N)=O;AKNPRWITWFKGAZ-UHFFFAOYSA-N;134.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234137;MM234137;CC(C)(C=NO)CC=CF;MUEULOBNBLZASB-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234138;MM234138;CC(C)(C=NN)CC=NN;KHOHBHAUXXNNDN-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234139;MM234139;CN(N)C(=O)NCCF;RDPCEUXJXSVBHT-UHFFFAOYSA-N;135.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234140;MM234140;CC(C)(C=NO)CC=NO;ASTOIBMOGDJQQZ-UHFFFAOYSA-N;144.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234141;MM234141;CC(O)(C=NN)CC=NO;NPRJDPMGOJZVAZ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234142;MM234142;CC=CC(C)(C)NC=NC;JPRKBAFUEGHOCW-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234143;MM234143;CN=CNC(C)(C)C=NN;HHOGRDDUZYCBCI-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234144;MM234144;CC=CC(C)(C)NN=CC;CAERKTOOWBUICN-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234145;MM234145;CCNC(=NOC)NO;CCAZEXIFFNJVFY-UHFFFAOYSA-N;133.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234146;MM234146;CC#CC(C)(C)CCCC;QJMCBSVCGNYNJL-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234147;MM234147;CC#CC(C)(C)CCCN;VPWJQDHGQFHXKJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234148;MM234148;CC#CC(C)(C)CCCF;IIPITKDPSDTXRS-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234149;MM234149;CC#CC(C)(N)CCCC;BGBFGUGNUKLTNY-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234150;MM234150;CC#CC(C)(N)CCCO;RFCZAGURHFSOEN-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234151;MM234151;CC#CC(C)(N)CCCF;ZXKPUEMXXCLTQH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234152;MM234152;CC#CC(C)(O)CCCC;HWVNLGPDLREHJB-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234153;MM234153;CC#CC(C)(O)CCCN;XXCIGLJMYXQCPT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234154;MM234154;CC#CC(C)(O)CCCF;FWFGQTDRKBYVKK-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234155;MM234155;CC#CC(C)(C)CCNC;JJCWCKDSNWEYGV-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234156;MM234156;CC#CC(C)(N)CCNC;NWSPQQQIARGHBJ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234157;MM234157;CC#CC(C)(O)CCNC;FPPQEEAFMQHVRS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234158;MM234158;CC#CC(C)(C)CCOC;GTFOINPGPZVMKU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234159;MM234159;CC#CC(C)(N)CCOC;LYKXQQJALRFBNW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234160;MM234160;CC#CC(C)(O)CCOC;IZBUEUGGOQXRFD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234161;MM234161;CC#CC(C)(C)CNCC;VHXPIEZJINEPNH-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234162;MM234162;CC#CC(C)(N)CNCC;AKNDXFZYCMDIQB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234163;MM234163;CC#CC(C)(O)CNCC;KBYFQSZCTLPHKV-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234164;MM234164;CC#CC(C)(N)COCC;YMYVJBUBBUJFAW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234165;MM234165;CC#CC(C)(O)COCC;DEQBQBDLFSIOPE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234166;MM234166;CC#CC(C)(C)NCCC;JEKHYCMVCFUKNR-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234167;MM234167;CC#CC(C)(C)NCCN;UCAUWNLORSNCBX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234168;MM234168;CC#CC(C)(C)NCCO;FSRXBMBATBOFMS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234169;MM234169;CC#CC(C)(C)OCCN;DVRBBHXDSMBLAV-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234170;MM234170;CC#CC(C)(C)OCOC;GARWEBMWRWDLRZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234171;MM234171;CC#CC(C)(C)CCC=O;VZJUXPFOKUAXHU-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234172;MM234172;CC#CC(C)(C)CCC#N;RUJXJPGNNORKQS-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234173;MM234173;C=CCCC(C)(N)C#CC;ARMMNTRKDJODEL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234174;MM234174;C=CCCC(C)(O)C#CC;NDEQDSHJSLZAEB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234175;MM234175;CC#CC(C)(O)CCC=O;FDJHTGBNYHAHJD-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234176;MM234176;CC#CC(C)(F)CCC#N;OUOQVJNABHPHDW-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234177;MM234177;CC#CC(C)(C)CNC=N;LZFFMSIKFUMFPX-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234178;MM234178;C=NNCC(C)(C)C#CC;FMLJTPYEHRNDQQ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234179;MM234179;C=COCC(C)(C)C#CC;DKMZVMJXESUBGP-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234180;MM234180;CC#CC(C)(C)COC=O;KVJZJHMFDRERIF-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234181;MM234181;CC#CC(C)(O)COC=O;RDKRDWIBSZRNQW-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234182;MM234182;C=CCNC(C)(C)C#CC;OQLFGTQMDBXFJK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234183;MM234183;C=CCOC(C)(C)C#CC;XRBFBSBNFUGCDE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234184;MM234184;CC#CC(C)(C)OCC=O;QCFLUDZKOZPMDC-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234185;MM234185;CC#CC(C)(C)OCC#N;ULXAPSPLSCZJGW-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234186;MM234186;C#CCCC(C)(C)C#CC;UFBMLRYEDHZTJQ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234187;MM234187;C#CCCC(C)(O)C#CC;YZRFUHNESKVZCB-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234188;MM234188;C#CCOC(C)(C)C#CC;PXVHTYIOPPFSPP-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234189;MM234189;CC#CC(C)(C)CC=CC;LNLHIHVVPPGLTC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234190;MM234190;CC#CC(C)(N)CC=CC;CGBFHTUXICFZLN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234191;MM234191;CC#CC(C)(N)CC=CF;WNRHGUAGIOADLG-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234192;MM234192;CC#CC(C)(C)CC=NN;PRIWZKOLHSJMKW-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234193;MM234193;N#CC=C1CC(O)CN1;BBFCBSGKYHMZAS-UHFFFAOYSA-N;124.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234194;MM234194;CC#CC(C)(O)CC=NO;ISNXRFYWGQGUJM-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234195;MM234195;CC#CC(C)(C)NC=NC;WTGHUJGBZJBVLK-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234196;MM234196;CC#CC(C)(C)NN=CC;XEOMOQPNVKBPTE-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234197;MM234197;CC#CC(C)(C)OC=CC;SCPIOBKIZQAIJW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234198;MM234198;CC#CC(C)(C)ON=CC;ZIWGHVFCKQUYQZ-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234199;MM234199;CC#CCC(C)(C)C#CC;KVJXALYWJRTSRM-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234200;MM234200;CC#CCC(C)(N)C#CC;AOBHFTLFWZSJIH-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234201;MM234201;CC#CCC(C)(O)C#CC;KMOIKERNNIPDBY-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234202;MM234202;CC(C)(C=CCN)CCF;LAGMHKFJNJMBRF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234203;MM234203;CCCC(C)(N)C=CCO;LVCLDVWAZMFPNB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234204;MM234204;CC(N)(C=CCF)CCO;OHUWAEDSWDCSSR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234205;MM234205;CCC=CC(C)(N)CCF;OXHXMRCZQMGQGI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234206;MM234206;CC(N)(C=CCO)CCF;JBRVBKIKJSDAOK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234207;MM234207;CCCC(C)(O)C=CCO;YFWCPZKSNAMZKJ-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234208;MM234208;CCCC(C)(F)C=CCN;YVQQWKUUYDNLLM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234209;MM234209;CCCC(C)(F)C=CCO;RYYKGFNISAMWER-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234210;MM234210;CCC=CC(C)(F)CCN;WRSUUMJJKIWEOF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234211;MM234211;CC(F)(C=CCN)CCO;RUSYHCFKRKLOLH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234212;MM234212;CC(F)(C=CCN)CCF;OPBDUMLNOITROW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234213;MM234213;NCC=CC(F)(F)CCN;MLPHNQBPEAFJSQ-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234214;MM234214;COC=CC(C)(N)CCO;GYABHSBMLPJDEK-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234215;MM234215;COC=CC(C)(O)CCN;XGFSUGCRKAZTSU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234216;MM234216;CNCC(C)(C)C=CCN;KVINNPJITPBYTR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234217;MM234217;CNCC(C)(C)C=CCO;BIYMBKIQZKFMGS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234218;MM234218;CNCC(C)(C)C=COC;KHKXZPFQZCSZGV-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234219;MM234219;CNCC(C)(O)C=COC;ALERZRXFBSOODK-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234220;MM234220;COCC(C)(C)C=CCO;JDYAUTJZDIIUAG-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234221;MM234221;CNN=CC(C)(C)CCF;VKTDSWWANXIABZ-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234222;MM234222;CCCC(C)(N)C=NNC;FWIKREQCGLJSEC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234223;MM234223;CNN=CC(C)(N)CCN;KXEQEMMUACECSZ-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234224;MM234224;C=NN1CC(O)CC1C;UCINNXLKJPLDAA-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234225;MM234225;Cn1c(N)nncc1=O;ADXUVVGMJMSFQL-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234226;MM234226;CCCC(C)(F)C=NNC;JFRFAUIOSHVEPA-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234227;MM234227;CON=CC(C)(F)CCN;HUHMOIIRSNNDQQ-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234228;MM234228;CNCC(C)(N)C=NNC;NAOVVPMXIBOODT-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234229;MM234229;CNCC(C)(O)C=NNC;VERKTUIRGKMXFX-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234230;MM234230;CNCC(C)(C)C=NOC;DPJKMLCRUSBOFT-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234231;MM234231;CNCC(C)(N)C=NOC;JAVSJFKRRFPGFZ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234232;MM234232;CNCC(C)(F)C=NOC;QRSLMONFSYRJPB-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234233;MM234233;CNN=CC(C)(C)COC;GQZRBTFQLWJKDL-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234234;MM234234;COCC(C)(N)C=NOC;QHGRFOLNMPQUEF-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234235;MM234235;CON(C=O)C(=N)NO;FWUQFVWJLNQCEI-UHFFFAOYSA-N;133.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234236;MM234236;COCC(F)(F)C=NOC;IQIRSYGWGXUNHS-UHFFFAOYSA-N;153.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234237;MM234237;NC(=O)CC(N)C(F)(F)F;FUSSGZXYMBXVGS-UHFFFAOYSA-N;156.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234238;MM234238;CC(C#N)NC1CC1(C)O;FZIQQDOPHCTUAV-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234239;MM234239;C=CC=CC(C)(N)CCN;VYNRUNBXMUAWJQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234240;MM234240;CC(O)(C=CC=O)CCO;XCSUHSIQYUNWEQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234241;MM234241;CCCC(C)(F)C=CC=O;KPVWTMHZUHYHQZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234242;MM234242;CCCC(C)(F)C=CC#N;MPEIMABVGCYSAE-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234243;MM234243;CC(F)(C=CC=O)CCF;UEGLYKHOGPFEIW-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234244;MM234244;C=CC=CC(F)(F)CCN;JLABOGLHBLZHRM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234245;MM234245;C=CC=CC(C)(C)CNC;NIUNIDMQTGELQI-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234246;MM234246;CNCC(C)(C)C=CC=O;KAVPAFFMHRLZRY-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234247;MM234247;CNCC(C)(C)C=CC#N;RJXIVJAWMJNYMR-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234248;MM234248;CNCC(C)(O)C=CC=O;DNBAUABOYGZPDM-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234249;MM234249;COCC(C)(O)C=CC#N;DLVZEICPMBKVKG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234250;MM234250;C=NN=CC(C)(C)CCC;CBPRXCCKTYUJNF-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234251;MM234251;C=NN=CC(C)(C)CCN;PVGJKVQNRNPWES-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234252;MM234252;C=NN=CC(C)(C)CCF;JZFMUODXWDYTGL-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234253;MM234253;C=NN=CC(C)(N)CCC;LIKCFMTWELZOMB-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234254;MM234254;C=NN=CC(C)(O)CCF;IZGGFWVWUCPGQT-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234255;MM234255;C=NN=CC(C)(F)CCC;IOOLPWCWCXVMGL-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234256;MM234256;C=NN=CC(C)(F)CCO;AHZUCUCOLXBOFF-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234257;MM234257;C=NN=CC(C)(F)CCF;YYSSWXWDAMOWFV-UHFFFAOYSA-N;148.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234258;MM234258;C=NN=CC(F)(F)CCN;JCLQSKBSNPUEJM-UHFFFAOYSA-N;149.14;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234259;MM234259;C=NN=CC(C)(C)CNC;HUHDWZANISXGBS-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234260;MM234260;C=NN=CC(C)(O)CNC;AGAPVKJZBVPJAL-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234261;MM234261;C=NN=CC(C)(O)COC;MVLYXUVGPUKJBI-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234262;MM234262;CCNC(C)(C)C=CC#N;SIXCKCLMPNXXFI-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234263;MM234263;C#CC=CC(C)(O)CCO;PECDSABHQKEXJW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234264;MM234264;C#CC=CC(C)(N)CNC;JVGGJMXQLGRRSZ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234265;MM234265;C#CC=CC(C)(O)CNC;QOWDTDNLRFIYPR-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234266;MM234266;CCC=CC(C)(C)CC=O;WDUIDBDBQNCRSU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234267;MM234267;CC(C)(C=CCO)CC=O;MAJGTXLFPRTKOB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234268;MM234268;C=CCC(C)(N)C=CCO;SEQWXHWZZJBGKM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234269;MM234269;C=CCC(C)(O)C=CCO;QDROXUYOUNIENX-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234270;MM234270;CCC=CC(C)(O)CC=O;FSXDNSRDWCLXOU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234271;MM234271;CC(O)(C=CCO)CC=O;YWDXNZHUEQZSRO-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234272;MM234272;C=CCC(C)(F)C=CCN;GTQZTAZDLNSACR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234273;MM234273;CC(F)(C=CCF)CC=O;CLXZUKNOLNYZQS-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234274;MM234274;C=CCC(F)(F)C=CCN;PDFFUNNYGJZTCJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234275;MM234275;C=CCC(F)(F)C=CCO;IIAQRCJOLLFBTN-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234276;MM234276;COC=CC(F)(F)CC#N;QUTWEJPBTCSXSZ-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234277;MM234277;C=CCC(C)(C)C=NNC;OPGQIJWACAJSCU-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234278;MM234278;CN(C)N=CN(O)CCO;POKVHHTYVTZCJL-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234279;MM234279;C=CCC(C)(F)C=NNC;BGWORDGPUPLUAL-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234280;MM234280;C=NNC(C)C#CC(N)=O;WHTCEJAKHKEKPB-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234281;MM234281;CC(=NOCC(N)=O)NO;BNSAZFTWISJQRN-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234282;MM234282;CON=CC(F)(F)CC#N;KZPUJSZKCVSJCK-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234283;MM234283;C=CCC(O)CN(N)C=O;AHEQOSBCDOAVTM-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234284;MM234284;COC=CC(C)(C)NC=N;UNUCHLDOHMQWLA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234285;MM234285;C=NNC(C)(C)C=CCN;RDUMNEWINKGAAC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234286;MM234286;N=CN(CCO)OC(N)=O;NCXNKKQHXWKAQY-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234287;MM234287;C=NNC(C)(C)C=CCF;JBJXBDCWHFEASA-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234288;MM234288;C=NNC(C)(C)C=NOC;LYDSMOKAJRMRTK-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234289;MM234289;CC(O)CC(=NN)N(C)O;JWZLMKAZXZGAAZ-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234290;MM234290;C=NOC(C)(C)C=NNC;GEBQLGNMVUGDEP-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234291;MM234291;C=CCC(C)(C)C=CC=O;LFSAWLXQXOFZDT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234292;MM234292;C=CCC(C)(C)C=CC#N;WLLLAUWCGOCBHG-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234293;MM234293;C=CC=CC(C)(C)CC=O;NZLPSMHWRQSZLF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234294;MM234294;CC(C)(C=CC=O)CC=O;GRMLAQSIONISAA-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234295;MM234295;CC(C)(C=CC#N)CC#N;YBZUQRCQKPIVEK-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234296;MM234296;CC(O)(C=CC#N)CC#N;XGTHKDKUEPQWGN-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234297;MM234297;C=CCC(C)(F)C=CC=O;BYDMCZYYPQWCIA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234298;MM234298;C=CC=CC(C)(F)CC=O;OETDRLONDNZNFC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234299;MM234299;CC(F)(C=CC=O)CC=O;ZMQWZLWYOVVTGT-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234300;MM234300;C=NOCOCOC(N)=O;LFNFNRWQYQDUMS-UHFFFAOYSA-N;148.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234301;MM234301;C=CCC(C)(N)C=NN=C;KNPLQGHSPJCNIJ-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234302;MM234302;C=NN=CC(C)(F)CC=O;SBLTUHKJZGDCCV-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234303;MM234303;C=CCC(F)(F)C=NN=C;FPUKQGFIQQGWDT-UHFFFAOYSA-N;146.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234304;MM234304;CC(C)(C=CC=O)N=CN;OTDAPTKHLRVVDF-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234305;MM234305;CC(C)(C=CC#N)NC=N;ZQANTAXFRWYHGS-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234306;MM234306;C=CC=CC(C)(C)NN=C;NVGUCDQKVJLTJM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234307;MM234307;CCNN=CN(O)CCO;WRPAQBBJEPMPMI-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234308;MM234308;C=NN=CC(C)(C)NC=N;CSVSFKSCKFHTLD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234309;MM234309;C=NN=CC(C)(C)NC=O;BBEPEGXXSUFWLL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234310;MM234310;CC(C)(C=CC=O)OC=O;LPORAXVNLGFANQ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234311;MM234311;C=NOC(C)(C)C=CC=O;GCXFKKDCRPURSC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234312;MM234312;C=NN=CC(C)(C)OC=O;LZEJEVRNBSLKSQ-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234313;MM234313;C#CC=CC(C)(O)CC#N;MIIZOPOUPOOPED-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234314;MM234314;C#CC=CC(C)(C)NN=C;XIWBKADMYKYHKY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234315;MM234315;C#CCC(C)(C)C=CCN;DPWQWZVUNGMMQR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234316;MM234316;C#CCC(C)(C)C=CCO;IUIFZXGRPWJQGU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234317;MM234317;C#CCC(C)(N)C=CCO;ALZAJUMSCCAFSV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234318;MM234318;C#CCC(C)(N)C=CCF;UJBCEONNJOVBLO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234319;MM234319;C#CCC(C)(C)C=COC;IWURGBLZFUZOEM-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234320;MM234320;C#CCC(C)(C)C=NNC;FZYTUOHDELCOPH-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234321;MM234321;C#CCN(O)C=NOCC;AIFNFMPVTGDQTQ-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234322;MM234322;C#CCC(C)(C)C=CC=C;AKXKDSOOEWMCHB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234323;MM234323;C#CCC(C)(C)C=CC=O;NBSIABVTKXDIHB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234324;MM234324;C#CCC(C)(N)C=CC=C;JROFOYPBFUYFLG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234325;MM234325;C#CC=CC(C)(C)CC#C;ZSHUBMXIUJQKDF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234326;MM234326;C#CC=CC(C)(N)CC#C;GPSQBDUUPYYDTM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234327;MM234327;CC=NN=CN(O)CC=O;VNCMKESDFDMECG-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234328;MM234328;CC=CC(C)(C)C=CCF;BGIOAPIXLFFYPN-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234329;MM234329;CC=CC(C)(N)C=CCO;MGUYWICJOQGOCJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234330;MM234330;CC(O)(C=CF)C=CCO;LYSIQINQTRCOBY-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234331;MM234331;CNC(=NN(C)C=O)NO;PPGPXODSPZPRIB-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234332;MM234332;CC(C)(C=CCN)C=NO;NQOICKVEMYFPMW-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234333;MM234333;CC(C)(C=CCO)C=NO;CWMRNTQWWULULY-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234334;MM234334;CC=CC(C)(C)C=NNC;WEUSVUZHWVIAIX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234335;MM234335;CNN=CC(C)(C)C=CF;XXBLJPPPHNNQDK-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234336;MM234336;CC=CC(C)(F)C=NNC;MXOZWAGARHNETO-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234337;MM234337;NC(=O)CN=C(C=O)NO;QHEWTXNWIYQETC-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234338;MM234338;Nc1cc(=O)c(=O)[nH]nn1;XTXLFUKSOODLDM-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234339;MM234339;CCC1(CO)CC(C#N)N1;DKSWFVWPGXBKFP-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234340;MM234340;COc1nc(=O)n(O)[nH]1;DHRYWWZHHHHYLD-UHFFFAOYSA-N;131.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234341;MM234341;CC=CC(C)(O)C=CC=O;QVZJDGDJYNNIKP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234342;MM234342;CC(O)(C=CF)C=CC=O;JCTYVDYVUSABJY-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234343;MM234343;CC(C)(C=CC#N)C=NO;WUTZNKWJVZZXJW-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234344;MM234344;C=NN=CC(C)(F)C=CC;NYJXPNANLSJDAN-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234345;MM234345;N#CC12CCC(CO)(C1)N2;GGCIKCJAZUWONP-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234346;MM234346;C=C(CC(C)C(=O)O)OC;LTOZZLCYYBIFEQ-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234347;MM234347;C#CC=C(CO)N(N)C=O;LEFSKGURPXHJQO-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234348;MM234348;CC#CC(C)(C)C=CCC;DOCXJNUWHCGJCJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234349;MM234349;CC#CC(C)(C)C=CCN;AIINPGICMQHXGN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234350;MM234350;CC#CC(C)(C)C=CCO;ASEUUXCDVCMCBR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234351;MM234351;CC#CC(C)(N)C=CCC;WYTBQRFADTVLRV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234352;MM234352;CC#CC(C)(C)C=COC;BWKJDPFQTXIJRA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234353;MM234353;CC#CC(C)(N)C=COC;JVTFDZWQKWJTLW-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234354;MM234354;CC#CC(C)(C)C=NNC;BVWBZANVFAHAFO-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234355;MM234355;C=CC=CC(C)(C)C#CC;ZFOKUSDGVQYNOP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234356;MM234356;CC#CC(C)(O)C=CC=O;JSUBPMYYYZTOAO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234357;MM234357;C=CC=CC(C)(F)C#CC;JUQNBZOBKYAGGM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234358;MM234358;CC#CC(C)(F)C=CC=O;HSWVVZGNNRVQNI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234359;MM234359;C=NN=CC(C)(O)C#CC;BYXVUSMNENHKKK-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234360;MM234360;C#CC=CC(C)(N)C#CC;WAOOKXHVHICIFH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234361;MM234361;C#CC=CC(C)(O)C#CC;CNCCREKIWCRPJI-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234362;MM234362;CC(C)(C#CCN)CCN;RHHVRZXAPLIONI-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234363;MM234363;CC(C)(C#CCO)CCN;HGTVQZURZRFZJB-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234364;MM234364;CC(C)(C#CCN)CCO;KJEHUPLZDSZXGY-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234365;MM234365;CC(C)(C#CCO)CCO;MLOZZTCOWWEMSF-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234366;MM234366;CC(C)(C#CCO)CCF;CCAAZESGRBAWGR-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234367;MM234367;CCCC(C)(N)C#CCN;HBPXWWBSTRKTIJ-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234368;MM234368;CCCC(C)(N)C#CCO;FVZVHCHFUPQUCM-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234369;MM234369;CC(N)(C#CCN)CCN;SUCYIZDOCJKLQF-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234370;MM234370;CC(N)(C#CCN)CCF;AOQUYPIUNODJJS-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234371;MM234371;CC(N)(C#CCO)CCF;CWWIDEFIDIQXQW-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234372;MM234372;CCCC(C)(O)C#CCN;NAORCJCBWLQXFW-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234373;MM234373;CC(O)(C#CCO)CCO;UXHMBZJJBVTJRT-UHFFFAOYSA-N;144.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234374;MM234374;CC(O)(C#CCO)CCF;XWDDITMJTCDXAP-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234375;MM234375;CC(O)(C#CCF)CCF;IPBQBIWYPKOVCB-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234376;MM234376;CCCC(C)(F)C#CCN;JZEUIKXIEZLCHC-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234377;MM234377;CCCC(C)(F)C#CCO;ADWAZSNHVSCGGW-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234378;MM234378;CC(F)(C#CCO)CCO;RRERZMSMKPMMOF-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234379;MM234379;CC(F)(C#CCF)CCO;LPKUSFKSJFVUGS-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234380;MM234380;CC(F)(C#CCO)CCF;RETVMSOFMHANHS-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234381;MM234381;CC(F)(C#CCF)CCF;KZYKZWZJSLWGKK-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234382;MM234382;NCCC(F)(F)C#CCO;IMRHUGQMNRBQLJ-UHFFFAOYSA-N;149.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234383;MM234383;CNCC(C)(C)C#CCN;OPCKLJINNIRCQO-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234384;MM234384;CNCC(C)(C)C#CCF;GATCTDZJYGLABM-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234385;MM234385;CNCC(C)(N)C#CCN;HCXFKEKSNLJANB-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234386;MM234386;CCC#CC(C)(N)COC;BOMUUHKJIWMWEP-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234387;MM234387;COCC(C)(N)C#CCN;FCNTXOTVWCSBJG-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234388;MM234388;COCC(C)(N)C#CCF;ZMJVDAJVXKDNKF-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234389;MM234389;CCC#CC(C)(O)COC;NREGXKPAOSWUNN-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234390;MM234390;CCCC(C)(C)C#CC#N;SMFMJZKJTDHWGE-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234391;MM234391;CCOC(C#N)=C(N)CO;DQFXFXVGUDJQLY-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234392;MM234392;CCCC(C)(O)C#CC#N;MJBNGHPBJFTAFJ-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234393;MM234393;C=CC#CC(C)(O)CCN;VRISGLRSUIOHIN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234394;MM234394;CC(O)(C#CC#N)CCF;UTPNUGRAVNBAJZ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234395;MM234395;CCCC(C)(F)C#CC#N;JXOLNQJLQVKNBD-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234396;MM234396;CC(F)(C#CC#N)CCO;WSCDRZOAWFHREI-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234397;MM234397;CC(F)(C#CC#N)CCF;OURTXNSKKFCHMU-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234398;MM234398;N#CC#CC(F)(F)CCO;IUXDCZJEPKUTCI-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234399;MM234399;CNCC(C)(C)C#CC#N;FDFPVOBPBSVXCT-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234400;MM234400;CNCC(F)(F)C#CC=O;SAOCFGWIWUBCES-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234401;MM234401;COCC(C)(O)C#CC#N;UPJMYLUJDTWEPY-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234402;MM234402;COCC(C)(F)C#CC=O;PNEKCKNWAPGCNB-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234403;MM234403;COCC(F)(F)C#CC=O;CZZBHCRUFVGJPC-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234404;MM234404;C#CC#CC(C)(O)CCF;LGWMIOSPBYPMGF-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234405;MM234405;C#CC#CC(C)(F)CCO;GNRHUPZCGLPYQX-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234406;MM234406;C#CC#CC(C)(F)CCF;YZAORESQACFXIY-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234407;MM234407;CC(C)(C#CCO)CC=O;NJMJTQSMUNBDLC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234408;MM234408;CC(C)(C#CCF)CC=O;FYGVYWRPYKBOOE-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234409;MM234409;CCC#CC(C)(O)CC#N;YCRDTVZPVSFNRY-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234410;MM234410;C=CCC(C)(F)C#CCN;QJBJRPONMSDKKW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234411;MM234411;C=CCC(C)(F)C#CCO;HOWCFPHPSIIZBD-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234412;MM234412;CC(F)(C#CCF)CC=O;XKFRTMPTBWZGIC-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234413;MM234413;C=CCC(F)(F)C#CCO;NQKZWGYGOAFQLS-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234414;MM234414;C=CCC(F)(F)C#CCF;FEGIAVLBTHGZRN-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234415;MM234415;N#CCC(F)(F)C#CCO;BAYNUFBLGXZXCG-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234416;MM234416;O=CCC(F)(F)C#CCF;DYWDBWGCBFKADI-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234417;MM234417;COC(=O)C(=NN)N(C)O;WZWCTKNOLAIQSF-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234418;MM234418;CC=NNCC(C#N)C=O;HPBYJKLWAVHIPZ-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234419;MM234419;C=NOC(C)(C)C#CCN;OVJWVBMZBLBERB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234420;MM234420;C=CCC(C)(C)C#CC#N;CRRQUIUVSIOMEZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234421;MM234421;CC(C)(C#CC#N)CC=O;VWFKHAZRYUGDRP-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234422;MM234422;CC(C)(C#CC#N)CC#N;PBTCUBOGXSMVJM-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234423;MM234423;C=CC#CC(C)(O)CC#N;BFATWXADEGDZRK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234424;MM234424;C=CCC(C)(F)C#CC#N;WNKCTUDIXKFYAN-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234425;MM234425;CC(F)(C#CC=O)CC#N;XCVMHRXNZBHHMV-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234426;MM234426;CC(F)(C#CC#N)CC=O;LDBNFFOXDGPLNR-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234427;MM234427;C=CCC(F)(F)C#CC#N;GXCNVSQMWWQGPG-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234428;MM234428;N#CCC(F)(F)C#CC=O;YHRFWKKQPZHPBI-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234429;MM234429;CC(C)(C#CC#N)NC=N;GJZWVPPDLFGNNK-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234430;MM234430;CC(C)(C#CC#N)NC=O;NXONKFFQJJBJNO-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234431;MM234431;C#CC(CO)NC=NNC;LFSFAPOLPZEJBG-UHFFFAOYSA-N;141.17;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234432;MM234432;C#CC(=CC=NNC)CO;ZXFAMIFTULUQSW-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234433;MM234433;CC(C)(C#CC#N)OC=O;OZTWAHCUFQUXBD-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234434;MM234434;C=NOC(C)(C)C#CC#N;KTISHCFOEMCSIC-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234435;MM234435;C#CC#CC(C)(F)CC=O;LSMWVRSRJSGSPN-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234436;MM234436;C#CC#CC(C)(C)NC=N;VSPUZEOCSWIDBY-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234437;MM234437;C=CCC(=O)C(C#N)NC;ZZXNAXIAGNUWRQ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234438;MM234438;C#CCC(C)(C)C#CCC;FDOCRGIKOBUEFR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234439;MM234439;C#CCC(C)(C)C#CCN;COAYQSFIOWQOHK-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234440;MM234440;C#CCC(C)(C)C#CCO;GGISHKNSENWHFU-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234441;MM234441;C#CCC(C)(C)C#CCF;QRPHKGWRLFWLQS-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234442;MM234442;C#CCC(C)(N)C#CCF;OBBLBYJSPSYMQX-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234443;MM234443;C#CCC(C)(C)C#CC=C;GEVZHUVSDWCNRS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234444;MM234444;C#CCC(C)(C)C#CC=O;SSEAVGVCVXBONQ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234445;MM234445;C#CCC(C)(C)C#CC#N;QCUJAJNYKPURCO-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234446;MM234446;C#CCC(C)(N)C#CC=C;RPTBABDELXJQBK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234447;MM234447;C#CCC(C)(O)C#CC=O;QMGGNYNXVLDKNO-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234448;MM234448;C#CCC(C)(O)C#CC#N;MRJJYIWJEIQFNU-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234449;MM234449;C#CC#CC(C)(C)CC#C;JETHDYKMOLTGRA-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234450;MM234450;C#CC#CC(C)(N)CC#C;QFOLRSWASOLRTC-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234451;MM234451;CC=CC(C)(C)C#CCF;ZBSUZGRDOIAWFI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234452;MM234452;CC=CC(C)(N)C#CCF;CHKIXIUNEZUNBR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234453;MM234453;CC=CC(C)(F)C#CCO;WQJBOXKJNSDXEF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234454;MM234454;CC(C)(C#CCO)C=NO;SDSUPQCOGJJTBO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234455;MM234455;N#CC(=CN)C(F)C=CF;QSEHIAPWXHWNNL-UHFFFAOYSA-N;144.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234456;MM234456;CCOC(C)CC(=O)O;OPXOAENGHZNGBT-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234457;MM234457;C=CC#CC(C)(C)C=CC;AYDCMFKHKPUXDS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234458;MM234458;CC=CC(C)(C)C#CC#N;RIJBWSDVVGDJEJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234459;MM234459;CC=CC(C)(O)C#CC#N;VMOCWIGXQFQMLA-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234460;MM234460;CC(O)(C#CC#N)C=CF;QFYJDWUMXFMFEI-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234461;MM234461;CC=CC(C)(F)C#CC#N;AVKSPZPIWCKXAR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234462;MM234462;CC(F)(C#CC#N)C=CF;DXHBQWOBVQANRZ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234463;MM234463;N#CC=C1NN=C(NO)N1;OYRFGLCRKNXZAB-UHFFFAOYSA-N;139.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234464;MM234464;C=C(C)C(C)(O)CC(=O)O;DQWKNVZQTOIYJD-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234465;MM234465;CC(C)(O)C(C)(C)C(=O)O;QQGSLRMICCWIHN-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234466;MM234466;C#CC#CC(C)(C)C=CC;IXMUGYDXGKKRIH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234467;MM234467;C#CC#CC(C)(O)C=CF;SDXIMHYFZUIPOE-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234468;MM234468;C#CC#CC(F)(F)C=CC;MTKDKQDRMHJSKN-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234469;MM234469;CC#CC(C)(C)C#CCC;JEGCUSDUOBCIIF-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234470;MM234470;CC#CC(C)(C)C#CCN;DDDFJGOGOZJKAO-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234471;MM234471;CC#CC(C)(C)C#CCO;WFPXPJNELBOIJP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234472;MM234472;CC#CC(C)(C)C#CCF;RYGHLFRZUINFNS-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234473;MM234473;CC#CC(C)(O)C#CCC;IFOVOZDCCJBEQQ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234474;MM234474;CC#CC(C)(O)C#CCF;LLTPXRFMZUZBCS-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234475;MM234475;CC#CC(C)(F)C#CCC;OYCJKHDYMUKEED-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234476;MM234476;CC#CC(C)(F)C#CCN;XSRMYOGGZSRJSL-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234477;MM234477;CC#CC(C)(F)C#CCO;AJJXGFPZKMVIHM-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234478;MM234478;CC#CC(C)(F)C#CCF;SBHSCUCMFFPPNP-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234479;MM234479;CC#CC(F)(F)C#CCC;FKRKLZONJNLILU-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234480;MM234480;CC#CC(F)(F)C#CCN;NNRGTEOHVWRVDN-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234481;MM234481;C=CC#CC(C)(C)C#CC;WIKWIPGTULJHIT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234482;MM234482;CC#CC(C)(C)C#CC=O;DBCBTIFAHIKXCX-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234483;MM234483;CC#CC(C)(C)C#CC#N;XZCHJDXSEZQJCT-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234484;MM234484;C=CC#CC(C)(O)C#CC;WFLPCABTCKEBDD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234485;MM234485;CC#CC(C)(O)C#CC=O;QOJNDIVKKZBTSV-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234486;MM234486;CC#CC(C)(O)C#CC#N;HMNDRISVOBXUAH-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234487;MM234487;C=CC#CC(C)(F)C#CC;XRSDNQFRWOXCJV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234488;MM234488;CC#CC(C)(F)C#CC=O;BIDVTTPAOSUIML-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234489;MM234489;CC#CC(C)(F)C#CC#N;MZPAUDDOJRUSEC-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234490;MM234490;CC#CC(F)(F)C#CC=O;MCOCSCFSOSDZMI-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234491;MM234491;CC#CC(F)(F)C#CC#N;XRHJTALDBCGICX-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234492;MM234492;C#CC#CC(C)(C)C#CC;XHCHHXVYSNPRFB-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234493;MM234493;C#CC#CC(C)(O)C#CC;BDCZCYKJOZKQEA-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234494;MM234494;C#CC#CC(C)(F)C#CC;FRATYNADGQGJIA-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234495;MM234495;C#CC#CC(F)(F)C#CC;ZXOHIWKFKBDVTE-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234496;MM234496;CC(N)C(C)(C)C(C)CN;NFEFYGBIPFCOLM-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234497;MM234497;CC(N)C(C)(C)C(C)CF;NOCBWZKJLRSCRO-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234498;MM234498;CC(O)C(C)(C)C(C)CN;BNMKXUKNSGOHMG-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234499;MM234499;CC(O)C(C)(C)C(C)CF;PRSPNAAABFHEGG-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234500;MM234500;CC(F)C(C)(C)C(C)CN;SSCZKCQIDJLURW-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234501;MM234501;CC(F)C(C)(C)C(C)CF;VVSNFONZUBINLB-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234502;MM234502;CC(CN)C(C)(C)C(F)F;YVMJWMXTFGIOAA-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234503;MM234503;CC(CF)C(C)(C)C(F)F;ZNWZHRLTWWERAM-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234504;MM234504;CC(C)C(C)(C)C(N)CN;PUPJADKCEMKERG-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234505;MM234505;CC(C)C(C)(C)C(N)CO;LZRVUINKUYSBFI-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234506;MM234506;CCC(N)C(C)(C)C(C)O;UTLFAVQLNMYQGS-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234507;MM234507;CCC(N)C(C)(C)C(F)F;DWZVUIJLTFSKEY-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234508;MM234508;CC(C)(C(F)F)C(N)CO;BVDOUAAJTVUOSP-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234509;MM234509;CC(C)C(C)(C)C(O)CN;YOGUDFMOLRUKEE-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234510;MM234510;CCC(O)C(C)(C)C(C)N;MRJAZMPKLJOMGY-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234511;MM234511;CC(F)C(C)(C)C(O)CO;LUOOSWCYTVZTQE-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234512;MM234512;CC(C)(C(F)F)C(O)CN;SBSGWXGPEDZRQS-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234513;MM234513;CC(C)(C(F)F)C(O)CO;OGXPNQHRFDJFRN-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234514;MM234514;CC(N)C(C)(C)C(F)CN;IZXAADVKUSZXFW-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234515;MM234515;CCC(F)C(C)(C)C(C)O;VZFXTNVYNMYQOV-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234516;MM234516;CC(C)C(C)(N)C(C)CN;XBRCUXAEFSMOFZ-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234517;MM234517;CC(C)C(C)(N)C(C)CO;HDWOPBNIAUZSSR-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234518;MM234518;CCC(C)C(C)(N)C(C)N;OHSVDZBKUAUTII-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234519;MM234519;CC(N)C(C)(N)C(C)CF;GUIWHCCWRJTFMD-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234520;MM234520;CCC(C)C(C)(N)C(C)F;SOFGFHXGLBCJLW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234521;MM234521;CC(F)C(C)(N)C(C)CF;FSIOIRFGYIJGQJ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234522;MM234522;CC(CN)C(C)(N)C(F)F;DVNVBWKVILZWGT-UHFFFAOYSA-N;152.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234523;MM234523;CCC(N)C(C)(N)C(C)C;FHIYXZQFFWCYAF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234524;MM234524;CC(N)C(C)(N)C(N)CN;QUTCDGVUWYLLCW-UHFFFAOYSA-N;146.24;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234525;MM234525;CC(O)C(C)(N)C(N)CO;MGJWHEVLLZRPQN-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234526;MM234526;CC(F)C(C)(N)C(N)CF;YHCJYTVTOUXVTK-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234527;MM234527;CCC(N)C(C)(N)C(F)F;QTXRBHNZLCTTKQ-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234528;MM234528;CC(N)(C(F)F)C(N)CO;NLRGJZVKQQWSEX-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234529;MM234529;CC(N)C(C)(N)C(O)CO;QCCXKUMNECZSPX-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234530;MM234530;CCC(O)C(C)(N)C(C)O;QOKQSYWXCHIQAG-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234531;MM234531;CC(O)C(C)(N)C(O)CO;OOIYHYMRLBLEIK-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234532;MM234532;CC(F)C(C)(N)C(O)CF;VQIYRKRNXLKQAB-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234533;MM234533;CC(N)(C(F)F)C(O)CN;CMQKXAZOYCMQBJ-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234534;MM234534;CC(O)C(C)(N)C(F)CO;IBGJOOFJGCJEMX-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234535;MM234535;CC(C)C(C)(O)C(C)CN;KSFMHLAQMQIHCY-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234536;MM234536;CC(C)C(C)(O)C(C)CO;NOBUYVZUAMYLSQ-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234537;MM234537;CC(CN)C(C)(O)C(F)F;GQBMSDYWXREGEU-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234538;MM234538;CCC(N)C(C)(O)C(C)C;JLDKBLZALCAVGA-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234539;MM234539;CC(C)C(C)(O)C(N)CF;AHADYGZTAXYPHB-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234540;MM234540;CC(N)C(C)(O)C(N)CO;UXSGZDATTQDLHA-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234541;MM234541;CC(O)C(C)(O)C(N)CO;OVCAECGVBHSYMH-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234542;MM234542;CC(O)(C(F)F)C(N)CO;DGGHXOIQYYSBMP-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234543;MM234543;CCC(O)C(C)(O)C(C)C;JBOUFKXRJKYEDV-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234544;MM234544;CC(C)C(C)(O)C(O)CN;BGGZDWKYOHGHKC-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234545;MM234545;CC(N)C(C)(O)C(O)CN;HOEYORWAXILBIA-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234546;MM234546;CC(N)C(C)(O)C(O)CO;DONLACIYUZBOFH-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234547;MM234547;CC(O)C(C)(O)C(O)CN;WKTJGJPOJPYCTO-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234548;MM234548;CC(C)C(C)(O)C(F)CN;TUNLIUGIFZNQSF-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234549;MM234549;CC(N)C(C)(O)C(F)CF;USJGQKDYMIBBFM-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234550;MM234550;CCC(C)C(C)(F)C(C)N;UZBBIIVKVVGHRP-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234551;MM234551;CC(N)C(C)(F)C(C)CF;DHVZNGCQURXWBE-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234552;MM234552;CC(O)C(C)(F)C(C)CN;VFNQRJWBNNDAES-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234553;MM234553;CC(C)C(C)(F)C(N)CO;GKBRYGCEOYKFGU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234554;MM234554;CCC(N)C(C)(F)C(C)O;MQIZXRSPPJUVKV-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234555;MM234555;CC(C)C(C)(F)C(O)CN;FRIYVCTWUMSAHX-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234556;MM234556;CC(C)C(C)(F)C(O)CO;WTBWUOZMHOFGAV-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234557;MM234557;CNC(C)C(C)(C)C(C)C;KFEVNCLKCSBKAR-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234558;MM234558;CNC(C)C(C)(C)C(C)N;GPTWAIGPRXQQSC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234559;MM234559;CNC(C)C(C)(C)C(C)F;ZRNMDJPYCBMSNG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234560;MM234560;CNC(C)C(C)(C)C(F)F;FFQWBOXWMRWAIZ-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234561;MM234561;CNC(C)C(C)(O)C(C)F;MKXWAINGNFKQHX-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234562;MM234562;CNC(C)C(C)(F)C(F)F;UMPZCNBUUMYZHA-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234563;MM234563;COC(C)C(C)(N)C(C)C;UQXDJTFIJCYTBA-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234564;MM234564;CCC(C)C(C)(C)N(C)C;YOVZQPBZXXBZQL-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234565;MM234565;CC(CN)C(C)(C)N(C)C;GQLCAVBOAXKWKT-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234566;MM234566;CC(CO)C(C)(C)N(C)C;YTQBJKGBJXLVGP-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234567;MM234567;CCC(N)C(C)(C)N(C)C;IXYXYHYSNZUFAU-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234568;MM234568;CCC(O)C(C)(C)N(C)C;CNIYDPHDGVYNKG-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234569;MM234569;CCC(F)C(C)(C)N(C)C;APRUEWVUPQSHGV-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234570;MM234570;CN(C)C(C)(C)C(F)CN;IJQDNGPAMIXBHL-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234571;MM234571;CNC(C)C(C)(C)N(C)C;WFCSDNVXMCLARO-UHFFFAOYSA-N;144.26;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234572;MM234572;CCN(C)C(C)(C)C(C)C;AXIZRVFTHXETCC-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234573;MM234573;CCN(C)C(C)(C)C(C)N;VGYZUBWOQYJRJT-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234574;MM234574;CCN(C)C(C)(C)C(C)O;STPJKEDKXWJURS-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234575;MM234575;C=CC(C)C(C)(C)C(C)N;CUMLESSNXHBHJO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234576;MM234576;N#CC1CC2CC2(CO)N1;LXHAWMJJFZELFZ-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234577;MM234577;CC(O)C(C)(C)C(C)C=O;NHZVVWVKVJFLAB-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234578;MM234578;C=CC(C)C(C)(C)C(F)F;YLTFMFVPATWRBG-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234579;MM234579;CC(C=O)C(C)(C)C(F)F;UNIGYUZJDJHTJM-UHFFFAOYSA-N;150.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234580;MM234580;C=CC(N)C(C)(C)C(C)F;FOJWLOVAAZAMLH-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234581;MM234581;CC(C)C(C)(C)C(O)C#N;GIHATCAICSXUAZ-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234582;MM234582;CC(O)C(C)(C)C(O)C=O;KQRZBSYOIYJYAS-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234583;MM234583;C=CC(C)C(C)(N)C(C)C;BQPDCPWBVCKFME-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234584;MM234584;C=CC(C)C(C)(N)C(C)F;PUUYFPOALWOWIV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234585;MM234585;C=CC(O)C(C)(N)C(C)N;QQSYCRHFHNQUAL-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234586;MM234586;C=CC(O)C(C)(N)C(C)F;GNOIPGWHZAUYKO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234587;MM234587;C=CC(C)C(C)(O)C(C)C;MXUVULIBGSLKGS-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234588;MM234588;CC(O)C(C)(O)C(O)C=O;HRUNJFGAZRXVKH-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234589;MM234589;C=CC(C)C(C)(F)C(C)F;WUMLYZWHSFPMPV-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234590;MM234590;CC(C)C(C)(F)C(O)C=O;NKHVUXSPPCOSAO-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234591;MM234591;C=CC(O)C(C)(F)C(C)N;PXEARBDDOHCFAK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234592;MM234592;C=CC(O)C(C)(F)C(C)O;YLYIBEXGOQNEQY-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234593;MM234593;CC(O)C(C)(F)C(O)C=O;JWMYODFJUKNLIS-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234594;MM234594;CC(F)C(C)(F)C(O)C=O;KDHWTLNZEIMZJP-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234595;MM234595;CC(F)C(F)(F)C(O)C#N;ASDQSPODNFEVBC-UHFFFAOYSA-N;153.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234596;MM234596;N#CC(O)C(F)(F)C(F)F;PRZMRSHJEGVDLM-UHFFFAOYSA-N;157.07;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234597;MM234597;CC(C=O)C(C)(C)N(C)C;GTCBBHZTAMUEME-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234598;MM234598;C=CC(O)C(C)(C)N(C)C;TWKUFUISZSDWEC-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234599;MM234599;CN(C)C(C)(C)C(F)C#N;AOVNCNWERRTBQO-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234600;MM234600;CC(C)C(C)(C)N(C)C=N;YRVHOXNQTXSVMT-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234601;MM234601;CC(N)C(C)(C)N(C)C=O;LUXAEHNVWXMJLB-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234602;MM234602;CC(F)C(C)(C)N(C)C=O;HWDLOSWSGKJSSC-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234603;MM234603;CC(C)C(C)(C)N(N)C=N;GOSFPRWUAZLTDT-UHFFFAOYSA-N;143.23;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234604;MM234604;CC(C)C(C)(C)N(N)C=O;CPAPOJLLRUHFAC-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234605;MM234605;CC(F)C(C)(C)N(N)C=N;CXZJGFLUJSSBMZ-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234606;MM234606;C=NN(C)C(C)(C)C(C)C;LPKULVICNJUWHH-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234607;MM234607;C=NN(C)C(C)(C)C(C)N;CRCWRCYEXATIJM-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234608;MM234608;C=CC(CO)N1CC1CO;ICSDZJASIYMWQV-UHFFFAOYSA-N;143.19;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234609;MM234609;C#CC(C)C(C)(C)C(C)N;DPIZKXQJODSCKO-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234610;MM234610;OCC=NNC=NCCO;DJGCWNABZWCYBE-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234611;MM234611;C#CC(C)C(C)(C)C(C)F;JFSHRMUGFHISBU-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234612;MM234612;C#CC(C)C(C)(C)C(F)F;AVTKEPWJMYQTHT-UHFFFAOYSA-N;146.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234613;MM234613;C#CC(N)C(C)(C)C(C)F;ZIBITITXGMJIGO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234614;MM234614;C#CC(O)C(C)(C)C(C)C;OJOOFZWKAUOQEZ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234615;MM234615;C#CC(O)C(C)(C)C(C)F;SHRFBTNUCAMPFH-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234616;MM234616;C#CC(F)C(C)(C)C(C)C;OWNXVGDTVWMPGH-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234617;MM234617;C#CC(F)C(C)(C)C(C)N;JOIHYZDCAJUJKA-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234618;MM234618;C#CC(C)C(C)(N)C(C)C;AJKMRBSYHXRNFO-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234619;MM234619;C#CC(C)C(C)(N)C(C)F;IYYJWJCRLIQVOP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234620;MM234620;C#CC(N)C(C)(N)C(C)O;DOQYQLTWNSGDDR-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234621;MM234621;C#CC(O)C(C)(N)C(C)N;GPVNZGJKKKAZDQ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234622;MM234622;C#CC(O)C(C)(N)C(C)O;YNBMTJPQKIQOEF-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234623;MM234623;C#CC(F)C(C)(N)C(C)C;MHJIQQCNJANXLI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234624;MM234624;OCC1(N2CC2CF)CC1;JTOMOOJJFZVBHE-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234625;MM234625;C#CC(N)C(C)(O)C(C)N;IGRRRUXJNNGRGY-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234626;MM234626;C#CC(N)C(C)(O)C(F)F;WNYRPFUGLPCIHE-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234627;MM234627;C#CC(O)C(C)(O)C(C)N;WYSUESXCDBUIPR-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234628;MM234628;C#CC(F)C(C)(O)C(C)N;WYRYUTLVYVLVOC-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234629;MM234629;C#CC(C)C(C)(F)C(C)N;LQQNGRCTIZIXSV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234630;MM234630;C#CC(O)C(C)(F)C(C)N;ISVCGLZQLVDRNP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234631;MM234631;C#CC(O)C(F)(F)C(F)F;ABEVVIJGVNEPCE-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234632;MM234632;C#CC(F)C(F)(F)C(C)O;QICHXXDPJQCOAC-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234633;MM234633;C#CC(C)C(C)(C)N(C)C;UAJQZOZADAKRKZ-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234634;MM234634;C=C(C)C(C)(C)C(C)CN;HRISHMQBGDMMHK-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234635;MM234635;CCC(C)C(C)(C)C(C)=O;AFCTXRCQOSHWFP-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234636;MM234636;CC(=O)C(C)(C)C(C)CO;FMEZEOJFMHPBNV-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234637;MM234637;CCC(C)C(C)(C)C(=N)N;FOLSCENKABYOFZ-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234638;MM234638;C=CC1CN1C1(CO)CC1;FPHRNPHERADYQK-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234639;MM234639;CC(CN)C(C)(C)C(N)=O;SBLOJIJWTZHEIO-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234640;MM234640;O=CC1CN1C1(CO)CC1;VRRFCLAHQTYSJT-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234641;MM234641;CCC(C)C(C)(C)C(=O)O;JAUKQUVPYOBDNP-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234642;MM234642;N#Cc1occ(F)c1O;RTIJDGJIFDTVBM-UHFFFAOYSA-N;127.07;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234643;MM234643;CC(CF)C(C)(C)C(=O)O;NWAGOEOWQUJOIK-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234644;MM234644;C=C(F)C(C)(C)C(C)CN;NPNFCHISXCPBHF-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234645;MM234645;C=C(F)C(C)(C)C(C)CO;PVBAAHGDJSFCCH-UHFFFAOYSA-N;146.21;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234646;MM234646;C=C(C)C(C)(C)C(N)CC;PACBLKBTTZYSHC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234647;MM234647;C=C(C)C(C)(C)C(N)CO;WPVZBYQYFHESGU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234648;MM234648;CC(C)(C(=N)N)C(N)CN;DWNSBYOSTOCPRW-UHFFFAOYSA-N;144.22;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234649;MM234649;CC(C)(C(=N)N)C(N)CO;NXKCASAHCOLDKI-UHFFFAOYSA-N;145.21;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234650;MM234650;C=C(F)C(C)(C)C(N)CC;MMOTVUYSZVRSKG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234651;MM234651;C=C(F)C(C)(C)C(N)CF;XRBHOZSZVQQWOS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234652;MM234652;C=C(C)C(C)(C)C(O)CN;BWOWAVUFTIIBFX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234653;MM234653;CCC(O)C(C)(C)C(C)=O;LYEBDVMOVMJLBA-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234654;MM234654;CCC(O)C(C)(C)C(=N)N;RWRAFAPLLJZFEE-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234655;MM234655;CC(C)(C(=N)N)C(O)CO;WDQFSQVQABQAPP-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234656;MM234656;CCC(O)C(C)(C)C(N)=O;NAUNYEVTAPEICP-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234657;MM234657;CC(C)(C(N)=O)C(O)CN;VLFPSLDCLKRNJW-UHFFFAOYSA-N;146.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234658;MM234658;CC(CO)CC=CC(=O)O;TUBJPPZMIQZMMG-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234659;MM234659;C=C(F)C(C)(C)C(O)CC;LRMCVRQVSOILQA-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234660;MM234660;C=C(F)C(C)(C)C(O)CO;NHQCGKJGAHDBGS-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234661;MM234661;CC(C)(C(=N)N)C(F)CN;CJRZUELWRVKVBF-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234662;MM234662;CC(C)(C(=N)N)C(F)CO;MHTQTQKLOGXEPR-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234663;MM234663;CCC(C)C(C)(N)C(=N)N;ZEELXHAGLNWQSL-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234664;MM234664;CCC(C)C(C)(N)C(N)=O;BECIZMPPRVSREO-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234665;MM234665;C=C(F)C(C)(N)C(C)CC;JNWQSKUOOBQNFD-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234666;MM234666;C=C(F)C(C)(N)C(C)CF;VAEKUMCECAHRAK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234667;MM234667;C=C(C)C(C)(N)C(N)CN;MYBVYXSUPZRXCO-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234668;MM234668;C=C(C)C(C)(N)C(N)CO;RPJMUSGKSMXUHE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234669;MM234669;C=C(C)C(C)(N)C(N)CF;ZDJAIRJQTQZFHN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234670;MM234670;CC(N)(C(=N)N)C(N)CN;OUFSXMLZLXPFKB-UHFFFAOYSA-N;145.21;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P5";;;;;;;-3.17;;-10.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234671;MM234671;C=C(F)C(C)(N)C(N)CC;JWFNLBWNHZTFLL-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234672;MM234672;C=C(C)C(C)(N)C(O)CC;RHGWVRULHTZNBC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234673;MM234673;CC(N)(C(=N)N)C(O)CO;IEVAGSMBZHXRDO-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234674;MM234674;C=C(C)C(C)(O)C(C)CN;XDQYTUCPHRTOBD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234675;MM234675;CCC(C)C(C)(O)C(C)=O;PQQHPSBDYNGOLU-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234676;MM234676;C=C(F)C(C)(O)C(C)CN;UHCUUIBXGBGTQU-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234677;MM234677;C=C(C)C(C)(O)C(N)CC;IEHXHQIOPVNLBH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234678;MM234678;C=C(C)C(C)(O)C(N)CN;PTANZQOKRMPEGE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234679;MM234679;CC(O)(C(=N)N)C(N)CO;SRKKDEKYZQPULT-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234680;MM234680;C=C(C)C(C)(O)C(O)CO;BWYQMDDYKTXMOH-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234681;MM234681;CC(O)(C(=N)N)C(O)CN;BYCSKUXYDRLQQU-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234682;MM234682;CC(O)(C(=N)N)C(O)CF;LAKVXXWDVHOVMI-UHFFFAOYSA-N;150.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234683;MM234683;CCC(O)C(C)(O)C(N)=O;SZRPYZBYQWENPC-UHFFFAOYSA-N;147.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234684;MM234684;CC(O)(C(N)=O)C(O)CO;PWTQVLKWHJZQNS-UHFFFAOYSA-N;149.15;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234685;MM234685;CCC(O)CC=CC(=O)O;VYCAAGBUEXGDSW-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234686;MM234686;C=C(F)C(C)(O)C(F)CO;NCJSRZNXPAMDHY-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234687;MM234687;C=C(C)C(C)(F)C(C)CN;FHHWSHCRZDTNBF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234688;MM234688;C=C(C)C(C)(F)C(C)CF;KBYWTIWHMDWSIQ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234689;MM234689;CCC(C)C(C)(F)C(C)=O;QBKQPQHHDIFIDV-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234690;MM234690;CC(=O)C(C)(F)C(C)CF;MWVZADVZMWTDOU-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234691;MM234691;CC(CN)C(C)(F)C(=N)N;QRAVECNVOGPPNZ-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234692;MM234692;CCC(C)C(C)(F)C(N)=O;NKMQIGZPKWWXMU-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234693;MM234693;CC(CN)C(C)(F)C(N)=O;MNUUWRPWEOQECY-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234694;MM234694;CCC(C)C(C)(F)C(=O)O;QXAZVNTUUZXALC-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234695;MM234695;CC(CF)C(C)(F)C(=O)O;PCPGMESUIPPGOC-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234696;MM234696;C=C(F)C(C)(F)C(C)CN;FEBKHYAVGJLXEH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234697;MM234697;C=C(F)C(C)(F)C(N)CC;GGSISJYUHKOABU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234698;MM234698;C=C(F)C(C)(F)C(N)CN;RTHIVZWFKCWXNF-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234699;MM234699;CCC(O)C(C)(F)C(N)=O;GYONLWCMEQQSHB-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234700;MM234700;CC(C)(O)CC=CC(=O)O;YKEKECJOKVCFDY-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234701;MM234701;C=C(F)C(C)(F)C(O)CO;RVAKSLJAKPWLRU-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234702;MM234702;C=C(C)C(C)(F)C(F)CN;DPAJUTFQCOXCLZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234703;MM234703;CCC(C)C(F)(F)C(=O)O;KGXOFXWQHQUOAB-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234704;MM234704;CCC(O)C(F)(F)C(N)=O;PRRJREYTCIQCEJ-UHFFFAOYSA-N;153.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234705;MM234705;C=C(C)C(C)(C)C(C)NC;DYMHIHIGVSZSRG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234706;MM234706;CNC(C)C(C)(C)C(C)=O;NWPABJPLJMPZSR-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234707;MM234707;C=C(F)C(C)(C)C(C)NC;RYCVPWKWCBSWHA-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234708;MM234708;CNC(C)C(C)(O)C(C)=O;XQJCMBVKGDRJSR-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234709;MM234709;CNC(C)C(C)(O)C(N)=O;LVYWPQUZRFCYAK-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234710;MM234710;C=C(C)C(C)(F)C(C)NC;AQHSEKSZIXKCHJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234711;MM234711;C=C(F)C(C)(F)C(C)NC;HXRCRZBQYWLZDK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234712;MM234712;CNC(C)C(F)(F)C(=N)N;RGAJSOXICMHMQM-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234713;MM234713;Cc1c(O)c(F)nn1C;JZDKDRHDESBQFB-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234714;MM234714;C=C(C)C(C)(O)C(C)OC;PMCLWZCVPJPEQZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234715;MM234715;COC(C)C(C)(O)C(N)=O;VLQSRLKPWGXYOB-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234716;MM234716;CONC(=O)C(CO)=NN;VXKFUENUHQKAIJ-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234717;MM234717;COC(C)C(C)(F)C(C)=O;BSTRXRGWSLFWOP-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234718;MM234718;C=C(C)C(C)(C)C(C)C=O;MRAALMOGZNDVRG-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234719;MM234719;C=CC(C)C(C)(C)C(C)=O;KGBIPUAMOURZJP-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234720;MM234720;CC(=O)C(C)(C)C(C)C=O;HGDYRSJNYCGJRW-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234721;MM234721;C#CC1CN1C1(CO)CC1;GCLYPSPTVCDKRU-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234722;MM234722;Cc1cc(N)[nH]n1;FYTLHYRDGXRYEY-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234723;MM234723;C=CC(C)C(C)(C)C(=O)O;CNYSMFWGLSIKQG-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234724;MM234724;CCn1cc(F)c(O)n1;IMQFTDGCKDFKSF-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234725;MM234725;C=C(F)C(C)(C)C(C)C=O;JSRKBBCSBGUSAA-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234726;MM234726;C=CC(N)C(C)(C)C(N)=O;SVFFAOGEPQFMKU-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234727;MM234727;C=CC(N)C(C)(C)C(=C)F;YFTXUFXJSJSTKP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234728;MM234728;C=C(C)C(C)(C)C(O)C=O;BSXFLJZBIFGZGK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234729;MM234729;C=C(C)C(C)(C)C(O)C#N;PAYPGEBHSYNPTF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234730;MM234730;C=CC(O)C(C)(C)C(C)=O;UOAKYCGOPLYHBI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234731;MM234731;CC(C)(C(N)=O)C(O)C=O;JSDSXRWQNIZAEO-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234732;MM234732;C=C(F)C(C)(C)C(O)C=O;JTNIBWJHINQAPQ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234733;MM234733;CC(=O)C(C)(C)C(F)C=O;GHJUCAPYBLWQKO-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234734;MM234734;C=CC(C)C(C)(N)C(=C)F;CDNBVJRFUSQEQW-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234735;MM234735;C=CC(N)C(C)(N)C(=N)N;LTGCYRVYUYHFSW-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234736;MM234736;C=C(C)C(C)(O)C(C)C=O;PRJWREAYMSYSHP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234737;MM234737;C=CC(C)C(C)(O)C(=C)F;VZTRIZAAJZPLPU-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234738;MM234738;C=CC(N)C(C)(O)C(=C)C;PQYADIMAHVGHSB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234739;MM234739;C=C(F)C(C)(O)C(O)C=O;OOFOJAQLMDTNRR-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234740;MM234740;CC(O)(C(N)=O)C(F)C#N;USMOPPZVISDPRD-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234741;MM234741;C=C(C)C(C)(F)C(C)C=O;CRMHRTOLHGNVFA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234742;MM234742;C=CC(C)C(C)(F)C(C)=O;IRYAELKHKSPMAT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234743;MM234743;CC(=O)C(C)(F)C(C)C=O;DTQGMWCAGLZOCN-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234744;MM234744;C=CC(C)C(C)(F)C(N)=O;ACMQLDHOVGMWOJ-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234745;MM234745;CC(=O)C(C)(F)C(O)C=O;BIUYALHLTOCKIX-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234746;MM234746;C=CC(O)C(C)(F)C(N)=O;CSDLIPPSUVBEET-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234747;MM234747;C=C(F)C(C)(F)C(O)C=O;ISBXUYIINDXYJN-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234748;MM234748;C=CC(C)C(F)(F)C(C)=O;BEGMPCCFJMCABW-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234749;MM234749;CC(=O)C(F)(F)C(O)C#N;JDHIOWNOEUCJBW-UHFFFAOYSA-N;149.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234750;MM234750;C=C(F)C(F)(F)C(O)C#N;XYVPYHFNZANIIJ-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234751;MM234751;N#CC(F)C(F)(F)C(=O)O;QHDXMQYTKAQTHW-UHFFFAOYSA-N;153.06;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234752;MM234752;C=C(C)C(C)(C)N(N)C=N;DRGIYLRRXNOSLA-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234753;MM234753;C=C(C)C(C)(C)N(N)C=O;BOVIOIYDRQNCRE-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234754;MM234754;C#CC(C)C(C)(C)C(=C)C;YXGATDQYTQUGJN-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234755;MM234755;C#CC(C)C(C)(C)C(C)=O;KPNNIBRMRHWXLP-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234756;MM234756;C=NN1CCC(O)C1;UFLIAOXOMDEGDR-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234757;MM234757;C#CC(C)C(C)(C)C(=O)O;KXLICKLRNUIVBF-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234758;MM234758;C#CC(N)C(C)(C)C(=C)C;PRULKNLEWQIVBJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234759;MM234759;C#CC(N)C(C)(C)C(=C)F;QADAAPRZEQKOCV-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234760;MM234760;C#CC(O)C(C)(C)C(=C)C;PXHKOZRRRUBDMC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234761;MM234761;C#CC(O)C(C)(C)C(=N)N;SFEYBFKNFDKVCW-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234762;MM234762;C#CC(O)C(C)(C)C(=C)F;PZDBOLZOFRMYRE-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234763;MM234763;C#CC(C)C(C)(N)C(N)=O;FOWSXQRREKDGHI-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234764;MM234764;C#CC(N)C(C)(N)C(=N)N;UROOONDHYGXVMB-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234765;MM234765;C#CC(O)C(C)(N)C(=N)N;UQWXNVWBKJBZKV-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234766;MM234766;C#CC(C)C(C)(O)C(C)=O;FYDFUNWLEMECSA-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234767;MM234767;C#CC(C)C(C)(O)C(=N)N;GNRDSDPRETYXCH-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234768;MM234768;C#CC(C)C(C)(O)C(N)=O;HXCZIGJZAJGGRQ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234769;MM234769;C#CC(N)C(C)(O)C(=N)N;NMKYJMUSVUJBPH-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234770;MM234770;C#CC(O)C(C)(O)C(=N)N;VSHFAWDZCSVYPD-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234771;MM234771;C#CC(O)C(C)(O)C(=C)F;HIQPAGOMSMCKHL-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234772;MM234772;C#CC(C)C(C)(F)C(=C)C;ZAMZAOQXPMREIS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234773;MM234773;C#CC(C)C(C)(F)C(C)=O;VJXJLPPESYVJJG-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234774;MM234774;C#CC(C)C(C)(F)C(=O)O;KTYIBHJISFITCH-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234775;MM234775;C#CC(O)C(C)(F)C(=C)F;JKSJZVIHLZZALI-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234776;MM234776;C#CC(C)C(F)(F)C(N)=O;PSOZUORHWYSRQY-UHFFFAOYSA-N;147.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234777;MM234777;C=C(CO)C(C)(C)C(C)N;KIROYOSGNAELDR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234778;MM234778;C=C(CN)C(C)(C)C(F)F;LJYTULGGFRLLNE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234779;MM234779;CCC(=O)C(C)(C)C(C)C;LTUKMJPYHMWHCF-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234780;MM234780;CCC(=O)C(C)(C)C(C)O;UFGLCHSTNPVGOW-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234781;MM234781;CC(O)C(C)(C)C(=O)CO;XKIVUJQITBXAFW-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234782;MM234782;C=C(CC)C(C)(N)C(C)N;KSHPEVJOOXGGQU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234783;MM234783;C=C(CO)C(C)(N)C(C)N;JKYRVKVQLWMVGX-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234784;MM234784;C=C(CF)C(C)(N)C(C)N;BKUYDSZCXCAWLH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234785;MM234785;C=C(CC)C(C)(N)C(C)F;KOJWOIAGAAAMJV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234786;MM234786;C=C(CO)C(C)(O)C(F)F;ULFSPNDSLXQVBW-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234787;MM234787;CC(O)C(C)(O)C(=O)CF;VLQCBNNAFMCQRT-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234788;MM234788;CC(O)(C(=O)CO)C(F)F;LSHQOJHEQWLGHV-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234789;MM234789;C=C(CN)C(C)(F)C(C)F;ILJVMUVSDHASBM-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234790;MM234790;CCC(=O)C(C)(F)C(C)C;ZXTWZDXOJAENKG-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234791;MM234791;CC(O)C(C)(F)C(=O)CO;UQCOLRVXUZLYFA-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234792;MM234792;CC(F)(C(=O)CO)C(F)F;SZKJWXOTRPYAIX-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234793;MM234793;CNC(=N)C(C)(C)C(C)C;BTWYIHWQEXERCA-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234794;MM234794;CC(C)C(C)(C)C(=N)NN;DLKRYZALYGYYDU-UHFFFAOYSA-N;143.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234795;MM234795;CC(C)C(C)(C)C(=N)NO;NCYGGRSQBQEDBN-UHFFFAOYSA-N;144.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234796;MM234796;CNC(=N)C(C)(C)C(C)N;OCYZKXMLPZLACK-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234797;MM234797;CC(F)C(C)(C)C(=N)NN;OZSAZIKAUKRMJC-UHFFFAOYSA-N;147.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234798;MM234798;CC(F)C(C)(C)C(=N)NO;AZFGHMXHNLHPIY-UHFFFAOYSA-N;148.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234799;MM234799;CC1(CO)CC(C#N)N1;ZSZQSWHFDYGWMC-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234800;MM234800;CC(C)C(C)(C)C(=O)NO;CDMZQYXZWSFUNI-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234801;MM234801;C=CCC(O)CNN=C;GCAZEFAPOOJXBI-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234802;MM234802;CC(F)C(C)(C)C(=O)NO;CAIQRXNHGIHWKI-UHFFFAOYSA-N;149.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234803;MM234803;CC(N)C(C)(N)C(=N)NO;QKZFPYVRVVSGEY-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234804;MM234804;CNC(=N)C(C)(N)C(C)F;GCSNMEKXVDHFLO-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234805;MM234805;CC(N)(C(=O)NO)C(F)F;LCDOWCSUVCMZLP-UHFFFAOYSA-N;154.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234806;MM234806;CNC(=N)C(C)(O)C(C)N;XGOBIANXGMXEPL-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234807;MM234807;CC(N)C(C)(O)C(=N)NO;GBWGCUCPPKXTRY-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234808;MM234808;CNC(=N)C(C)(O)C(C)O;OIEQJADVLNHOHB-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234809;MM234809;CC(O)C(C)(O)C(=N)NN;XTSXFPMGDQIOHY-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234810;MM234810;CC(F)C(C)(O)C(=N)NN;VMVMODHWQOBRGA-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234811;MM234811;CNC(=N)C(C)(O)C(F)F;JLJLSPUGCMPCGD-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234812;MM234812;CNC(=O)C(C)(O)C(C)N;IQGDGNCRLCHKMC-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234813;MM234813;CC(F)C(C)(O)C(=O)NN;XLMGSOCYCYUYFJ-UHFFFAOYSA-N;150.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234814;MM234814;CC#CCN(O)C=NN;YJYHCXCPPFKAOO-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234815;MM234815;CC(C)C(C)(F)C(=O)NN;KXVXRZIFWFUZIJ-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234816;MM234816;CNC(=N)C(F)(F)C(C)N;RMXDZPMSKNRGRL-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234817;MM234817;CNC(=N)C(F)(F)C(C)F;DTKPJCRYNBTGJI-UHFFFAOYSA-N;154.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234818;MM234818;N=CN=CN(O)CCO;PJYFIGUOELAHSD-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234819;MM234819;CC=NN1CCC(O)C1;IMBYHLWKWIIOIS-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234820;MM234820;CNC(=N)C(F)(F)C(F)F;GCNLVXCPFMBPLZ-UHFFFAOYSA-N;158.1;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234821;MM234821;COc1cc(O)n(O)n1;QCNUDKVDVIJTQF-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234822;MM234822;CNC(=O)C(F)(F)C(F)F;YLSRJTPZWKFCQC-UHFFFAOYSA-N;159.08;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234823;MM234823;C=C(OC)C(C)(C)C(C)C;YVWZPOLLXUUHFO-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234824;MM234824;C=C(OC)C(C)(C)C(C)N;QSSVTODFFSWSHH-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234825;MM234825;COC(=O)C(C)(C)C(C)N;HYUUPJAZVLZSGD-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234826;MM234826;COC(=O)C(C)(C)C(C)O;IZLAFAPADUHVEE-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234827;MM234827;COC(=O)C(C)(C)C(F)F;WKHWAGUPQBZUCI-UHFFFAOYSA-N;152.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234828;MM234828;C=C(C#N)C(C)(C)C(C)C;KQGYERWUUJERIB-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234829;MM234829;C=CC(=C)C(C)(C)C(C)N;OIMVVXRHWWKNHO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234830;MM234830;C=C(C#N)C(C)(C)C(C)O;FAHWLEPVQYCTKQ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234831;MM234831;C=CC(=C)C(C)(C)C(F)F;SXUSHNYRLOAVGI-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234832;MM234832;C=CC(=O)C(C)(C)C(C)C;QTIWNIHGKVIHQR-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234833;MM234833;CC(C)C(C)(C)C(=O)C=O;KAFRZEUIRUUQBC-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234834;MM234834;CC(C)C(C)(C)C(=O)C#N;LMIXNXCZYNFCDI-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234835;MM234835;C=CC(=O)C(C)(C)C(C)O;HLYIKFHLEMCIEJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234836;MM234836;CC(F)C(C)(C)C(=O)C=O;IQAGEMAGSZMQMM-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234837;MM234837;CC(F)C(C)(C)C(=O)C#N;FUVDMQIWYFAVOC-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234838;MM234838;C=CC(=C)C(C)(N)C(C)O;ZALQBTNIXTZJSP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234839;MM234839;NN=C1CC2(O)CC1C2;VFIRYHANIMCCLM-UHFFFAOYSA-N;126.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234840;MM234840;C=C(C#N)C(C)(O)C(C)C;DQWHPHRPXIWEAU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234841;MM234841;C=CC(=O)C(C)(F)C(C)C;GVKNQIGQKZINJJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234842;MM234842;CC(C)C(C)(F)C(=O)C#N;MWXWRHZNNCNGHJ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234843;MM234843;C=CC(=O)C(C)(F)C(C)O;AYRVNOYHMCNVQG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234844;MM234844;C=CC(=C)C(C)(C)N(C)C;BZKOFDWGNQIDHY-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234845;MM234845;C=C(C=O)C(C)(C)N(C)C;HXQUFJJGQKEQSW-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234846;MM234846;C#CC(=C)C(C)(C)C(C)C;AMUBFNZMJIUAFS-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234847;MM234847;C#CC(=C)C(C)(C)C(C)N;XEHAQRALNQVQCC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234848;MM234848;Cc1onc(NN)c1N;HMUYCYNSODEYSA-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234849;MM234849;C#CC(=C)C(C)(C)C(C)F;XLGNOCVCPXBYTC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234850;MM234850;C#CC(=O)C(C)(C)C(C)C;ZSCCXAHMSBJDMJ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234851;MM234851;C#CC(=O)C(C)(C)C(C)F;HCWIKLGCIAKGAV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234852;MM234852;C#CC(=C)C(C)(N)C(C)N;YHFTTYMKHQGIJH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234853;MM234853;C#CC(=O)C(C)(O)C(F)F;CQYQIRLBPNGEBY-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234854;MM234854;C#CC(=C)C(C)(C)N(C)C;MTWJVDBPRCAESG-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234855;MM234855;C=C(CC)C(C)(C)C(C)=O;MPYYMPTWTMEICS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234856;MM234856;C=C(CO)C(C)(C)C(C)=O;BYCVMVRLJGSYTC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234857;MM234857;C=C(CN)C(C)(C)C(=N)N;ZGQFKGNKNUXFEP-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234858;MM234858;CN(C=O)C(=NN)NO;VTMRLRQPCUNXTP-UHFFFAOYSA-N;132.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234859;MM234859;C=C(CN)C(C)(C)C(N)=O;SVDDEVGVFWQFCD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234860;MM234860;C=C(CF)C(C)(C)C(=O)O;LVAIOJHTBVVCFA-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234861;MM234861;CC(C)(C(=N)N)C(=O)CO;IMIVYOGUCFFVHA-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234862;MM234862;CC(C)(C(N)=O)C(=O)CO;LWMUUVWKGRGHNQ-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234863;MM234863;CC(C)(C(N)=O)C(=O)CF;WVUATHASOZCEPS-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234864;MM234864;C=C(C)C(C)(N)C(=C)CO;FKXUMZJXGZKSGB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234865;MM234865;C=C(C)C(C)(O)C(=C)CN;VABZIWLSMWCZIL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234866;MM234866;C=C(CO)C(C)(O)C(C)=O;OTXDWFNCTLBBQK-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234867;MM234867;N#CC(C#N)(C=NO)CO;BMUKQWDZYYQHCW-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234868;MM234868;C=C(F)C(C)(O)C(=C)CO;YDAQTGQRNSJUBK-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234869;MM234869;C=C(C)C(C)(O)C(=O)CC;NMZQLSVJOLKQGW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234870;MM234870;CC(O)(C(=N)N)C(=O)CO;DKTSJXSRMCJMKI-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234871;MM234871;C=C(F)C(C)(O)C(=O)CO;XUIZKIKXSHJFGI-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234872;MM234872;C=C(CO)C(C)(F)C(N)=O;XQJYCAQHDRYNNK-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234873;MM234873;C=C(C)C(C)(F)C(=O)CC;JSPJIOSIHOYXNR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234874;MM234874;CC(=O)C(C)(F)C(=O)CO;IMCDQCAAPRGTNW-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234875;MM234875;CCC(=O)C(C)(F)C(N)=O;ZRJWYYHUPRSUEI-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234876;MM234876;CC(=O)C(F)(F)C(=O)CO;LKSXQSTYFBUKKA-UHFFFAOYSA-N;152.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234877;MM234877;C#CC(CO)NCC#N;VGICTSFOYDNNLH-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234878;MM234878;NC(=O)C(F)(F)C(=O)CO;MIAQMXKTUHTRKU-UHFFFAOYSA-N;153.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234879;MM234879;C=C(F)C(F)(F)C(=O)CO;XUIBXPXGHXGSGH-UHFFFAOYSA-N;154.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234880;MM234880;C=C(C)C(C)(C)C(=N)NN;RAUBSEXILCMKMH-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234881;MM234881;C=C(C)C(C)(C)C(=N)NO;FHSWBBZFBBUNIU-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234882;MM234882;CN=NC=C(CO)NN;AVWIKMUEAHZQNU-UHFFFAOYSA-N;130.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234883;MM234883;CC(=O)C(C)(C)C(=O)NO;JFBDPJFRWTVMJT-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234884;MM234884;N#CCNC1(CO)CC1;PUGBPIUQMWTNNO-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234885;MM234885;CNC(=N)C(C)(N)C(=N)N;HWFGYUBDRRCMLN-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234886;MM234886;CN=C(N)C(C)(N)C(N)=O;ZIYASRPEAGODHN-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234887;MM234887;CN=C(N)C(C)(O)C(N)=O;YPEJPAZJQPKTTD-UHFFFAOYSA-N;145.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234888;MM234888;Nn1nc(F)c(F)c1O;NTKGPQQEBSETMT-UHFFFAOYSA-N;135.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234889;MM234889;C=C(F)C(C)(O)C(=N)NN;UTBGRODFWFWVDA-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234890;MM234890;C=C(C)C(C)(O)C(=O)NC;XRNFSUPVFGLEJA-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234891;MM234891;CNC(=O)C(C)(O)C(=N)N;ZYTHVJVKPNNNRK-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234892;MM234892;N#CC1N=CN(O)C1=N;WEQMOYIWWQDSEB-UHFFFAOYSA-N;124.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234893;MM234893;CNn1cc(O)c(N)n1;KDRCYRIGVAZOCC-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234894;MM234894;C=C(F)C(C)(O)C(=O)NO;OHRFVSOPQCHAMB-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234895;MM234895;CON1C=NC(CO)C1;WYMZRPUBBQTFPQ-UHFFFAOYSA-N;130.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234896;MM234896;C=C(C)C(C)(F)C(=O)NN;DOUMGNVUWUFVAR-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234897;MM234897;C=C(OC)C(C)(C)C(C)=O;IMNFEVMTTBAYDA-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234898;MM234898;C=C(OC)C(C)(C)C(=N)N;GLFZGLOATHRRHL-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234899;MM234899;C=C(OC)C(C)(C)C(N)=O;RVONCCYBCSDSFC-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234900;MM234900;COC(=O)C(C)(C)C(N)=O;HQWCBMXHMTWFPL-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234901;MM234901;N=c1oc(O)c(F)n1O;IIPZEVDURNOZDN-UHFFFAOYSA-N;134.07;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234902;MM234902;C=C(OC)C(C)(N)C(=N)N;YGDKKQZPTUWNIM-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234903;MM234903;COC(=O)C(C)(N)C(=N)N;RENQKFGPXXSZRP-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234904;MM234904;C#Cc1[nH]nc(N)c1O;KYRQCASMQIKXEM-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234905;MM234905;C=C(OC)C(F)(F)C(C)=O;CCGPXCWDAWGORV-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234906;MM234906;C=C(C)C(F)(F)C(=O)OC;QFYBAEBJFXRDGU-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234907;MM234907;C=C(C)C(C)(C)C(=C)C#N;MMFQGZIRMMTAAQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234908;MM234908;C=C(C=O)C(C)(C)C(C)=O;IEPCHQMJEMWOAS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234909;MM234909;C=C(C#N)C(C)(C)C(C)=O;MFAJETYJIYINOC-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234910;MM234910;C=C(C#N)C(C)(C)C(N)=O;AISCYRKNZZWOKY-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234911;MM234911;C=CC(=O)C(C)(C)C(=C)C;HKAWBMBLKSUWOX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234912;MM234912;C=CC(=O)C(C)(C)C(C)=O;JMJBLHJMPLXDFH-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234913;MM234913;C=C(C=O)C(C)(O)C(=N)N;WZEBAHXYXMKHJD-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234914;MM234914;C=C(C#N)C(C)(O)C(N)=O;RNUUEVNJJZEJIX-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234915;MM234915;C=C(C)C(C)(O)C(=O)C#N;NXLFITAQRHVTKL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234916;MM234916;C=CC(=O)C(C)(O)C(=N)N;MMKITTJYRJLLON-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234917;MM234917;C=CC(=O)C(C)(O)C(N)=O;KWMRKCDZDRMVQR-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234918;MM234918;CC(O)(C(N)=O)C(=O)C=O;RELDIZALDLSJMB-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234919;MM234919;C=C(C)C(C)(F)C(=C)C=O;UZDLCWRSWWRQLN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234920;MM234920;C=CC(=C)C(C)(F)C(C)=O;IPVJEXVUYNKQSX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234921;MM234921;C=C(C#N)C(C)(F)C(C)=O;HSWGRMJKZBJMMU-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234922;MM234922;C=C(C)C(C)(F)C(=O)C#N;BIAIFZWTRMBUQG-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234923;MM234923;CC(F)(C(N)=O)C(=O)C=O;YCLVCDSOURKHRU-UHFFFAOYSA-N;147.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234924;MM234924;CC(=O)C(F)(F)C(=O)C=O;DNVGYBKUHVAIPI-UHFFFAOYSA-N;150.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234925;MM234925;C#CC(=C)C(C)(C)C(=C)C;AFXFSWLQBVYIJW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234926;MM234926;C#CC(=C)C(C)(C)C(C)=O;FDPODRQSDKXHOG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234927;MM234927;C#CC(=C)C(C)(C)C(=N)N;WTDUMDIWYJAKKG-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234928;MM234928;C#CC(=C)C(C)(C)C(=O)O;RASGNPMBPHFWGV-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234929;MM234929;C#CC(=O)C(C)(C)C(=C)C;NEQGCSPVOPUKNU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234930;MM234930;C#CC(=O)C(C)(C)C(=N)N;QXKSYBCMZZVNFQ-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234931;MM234931;C#CC(=C)C(C)(N)C(=N)N;PSPFRIGVGRLAQR-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234932;MM234932;C=Nn1nnc(O)c1C;UBNCAYDJXXJGSY-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234933;MM234933;C#CC(=O)C(C)(O)C(=C)C;JFEHCZZCMABPFN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234934;MM234934;C#CC(=C)C(F)(F)C(N)=O;MIRXCLOXRCLTGM-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234935;MM234935;CC(=CF)C(C)(C)C(C)C;BWIZLHSHRUAKCA-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234936;MM234936;CC=C(F)C(C)(C)C(C)N;KVCHGXQEXOQPJB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234937;MM234937;CC=C(C)C(C)(N)C(C)C;NFAHVRCXSASTMF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234938;MM234938;CC=C(C)C(C)(N)C(C)N;VANRLNPMELWOGI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234939;MM234939;CC=C(C)C(C)(N)C(C)F;MLGACUOHEARKIF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234940;MM234940;CC(=CF)C(C)(O)C(C)F;HOAZYGURNAFJRB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234941;MM234941;CC(=CF)C(C)(F)C(C)N;ZGMOJNFTHFFQRD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234942;MM234942;CC(=CF)C(C)(F)C(C)O;HVAOWZUCXCCZKB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234943;MM234943;CC(=NN)C(C)(C)C(C)C;YQDSPGFMUFHKRB-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234944;MM234944;CC(=NO)C(C)(C)C(C)C;AWLJASBEJWMYPO-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234945;MM234945;C=NN1C=NC(CO)C1;NHBVOWSGWVYYMO-UHFFFAOYSA-N;127.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234946;MM234946;CC(=NO)C(C)(C)C(C)O;CDKIFIWLGHFQBR-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234947;MM234947;CC(=NN)C(C)(C)C(C)F;VQEIEXZDTSADET-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234948;MM234948;CC(=NO)C(C)(N)C(C)N;MWQDIQMUNOHMKK-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234949;MM234949;Cn1cn[nH]c(=N)onc1;LEPZTYCXZNAWRV-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234950;MM234950;C=C(C)C(C)(C)C(C)=CC;UPYDZWGHGQMOMA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234951;MM234951;CC=C(C)C(C)(C)C(C)=O;HFOAWYSIWGKRML-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234952;MM234952;COC1=NC(CO)CN1;XFQNEAXFOZTZDU-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234953;MM234953;CC=C(C)C(C)(C)C(=O)O;LYHIIBXTXXJWEZ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234954;MM234954;C=C(F)C(C)(C)C(C)=CF;MOOSLAUTCDTRJO-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234955;MM234955;CC(C)(C(=N)N)C(F)=CF;ZBOIGLVGCWNRIB-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234956;MM234956;CC(N)(C(=N)N)C(F)=CF;XTUBVUPPPDGIEF-UHFFFAOYSA-N;149.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234957;MM234957;C=C(F)C(C)(O)C(C)=CF;WQYLEIPRPLQBJR-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234958;MM234958;CC(O)(C(N)=O)C(F)=CF;BDSYRCUAOIIKLF-UHFFFAOYSA-N;151.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234959;MM234959;CC(=O)C(C)(F)C(C)=CF;INRZVTSUVFEJLR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234960;MM234960;CC(=CF)C(C)(F)C(N)=O;QJQKDNZBUBHPSI-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234961;MM234961;C=C(F)C(C)(F)C(C)=CF;VCKMDFQVCVKRQG-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234962;MM234962;CC(=O)C(F)(F)C(C)=CF;YBMVZNHTZSIKHC-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234963;MM234963;N=C(N)C(F)(F)C(F)=CF;JSLVXFSCZPYEPK-UHFFFAOYSA-N;156.08;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234964;MM234964;C=C(C)C(C)(C)C(C)=NN;OXFVWQCKABSLEY-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234965;MM234965;CC(=NO)C(C)(C)C(=N)N;GMXBADMGMHDQDA-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234966;MM234966;C=NNCCC=CC(=O)O;JZMWJTMHFWSUMI-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234967;MM234967;N=c1[nH]nc(CO)o1;BGVUCXJFOFYACV-UHFFFAOYSA-N;115.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234968;MM234968;CC(=NN)C(C)(O)C(=N)N;PYUSNTXISSBFLN-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234969;MM234969;CC(C)(CO)NC(=N)C#N;MTZCTFAPWILGIZ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234970;MM234970;CC(C)C(C)(C)CCCN;CACKSEXTNBBOGG-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234971;MM234971;CC(C)C(C)(C)CCCF;UCOKMUSCIGTOEW-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234972;MM234972;CC(N)C(C)(C)CCCN;TVCUPRXSXVQSEH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234973;MM234973;CC(N)C(C)(C)CCCO;PEYAJSUQUPMECN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234974;MM234974;CC(N)C(C)(C)CCCF;YQPGYRHKYWPGNB-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234975;MM234975;CC1(C#N)CC(C)(CO)N1;VIEYRTFUUAKAAY-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234976;MM234976;CC(F)C(C)(C)CCCO;KCEWIBWMEMTGIJ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234977;MM234977;CC(C)(CCCN)C(F)F;HBPZZWYLLHULHY-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234978;MM234978;CCCCC(C)(N)C(C)C;HASHOHPMNAEBLH-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234979;MM234979;CC(C)C(C)(N)CCCN;HBKMOCICCBJPHY-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234980;MM234980;CC(C)C(C)(N)CCCO;VPAZUMPNHRYUNP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234981;MM234981;CC(C)C(C)(N)CCCF;XGFCSKVDSYFPHZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234982;MM234982;CCCCC(C)(N)C(C)N;MKSJTJKUBHKTIV-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234983;MM234983;CCCCC(C)(N)C(C)F;CNJZOBTVUMJJDL-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234984;MM234984;CC(F)C(C)(N)CCCF;SISJZHXVJKETNY-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234985;MM234985;CCC(O)CN(N)C(N)=O;UTBYHTXBPUNBEL-UHFFFAOYSA-N;147.18;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234986;MM234986;CC(C)C(C)(O)CCCN;GWUHKGAHLPXEQY-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234987;MM234987;CC(C)C(C)(O)CCCO;QBXNMEDPFCPAKP-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234988;MM234988;CC(C)C(C)(O)CCCF;QAOQRJCHPMPXPN-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234989;MM234989;CC(F)C(C)(O)CCCF;IESVZRBPRQUIFQ-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234990;MM234990;CC(O)(CCCN)C(F)F;JXTXOCCITAUECD-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234991;MM234991;CC(O)(CCCO)C(F)F;BAVHUXMMLNDROE-UHFFFAOYSA-N;154.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234992;MM234992;CC(O)(CCCF)C(F)F;GJANNVMVNQAHLR-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234993;MM234993;CC(C)C(C)(F)CCCN;MUMWRESQQYXQAT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234994;MM234994;CC(C)C(C)(F)CCCF;VYCJHRZJUZTMCB-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234995;MM234995;CCCCC(C)(F)C(C)N;FBTJNGUWTJZZNM-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234996;MM234996;CC(N)C(C)(F)CCCF;YIVMSRMNRGMJPM-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234997;MM234997;CC(C)C(F)(F)CCCN;NPTIQXKNQYZYCH-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234998;MM234998;CC(C)C(F)(F)CCCO;DLIMFJPEZBBTEW-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM234999;MM234999;CC(C)C(F)(F)CCCF;IMOJCAOBTZEOET-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235000;MM235000;CNCCC(C)(C)C(C)N;NHSIWIZDSHSFAC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235001;MM235001;CNCCC(C)(C)C(C)O;ZYRVEPVMJUEXMG-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235002;MM235002;CNCCC(C)(C)C(F)F;NJVPDZFOPRLGQI-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235003;MM235003;CNCCC(C)(N)C(C)C;QQHAPZWMRIWZAN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235004;MM235004;CNCCC(C)(N)C(F)F;USVJTGINUCOFEM-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235005;MM235005;CNCCC(C)(O)C(C)C;SNSMQYSEZBZKCA-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235006;MM235006;CNCCC(C)(O)C(F)F;CQXCRSYRCOQUIX-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235007;MM235007;CNCCC(C)(F)C(C)C;HPXSGVSJIRRRAG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235008;MM235008;CNCCC(C)(F)C(C)F;JMRZLTQYDODEFA-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235009;MM235009;CNCCC(F)(F)C(C)C;JWRPYDXLRKZEGQ-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235010;MM235010;COCCC(C)(C)C(C)C;YWQRERMYNDJTEU-UHFFFAOYSA-N;144.26;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235011;MM235011;COCCC(C)(C)C(C)O;UNSDWVDGUNRWEL-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235012;MM235012;COCCC(C)(N)C(C)C;QMQDCPOKEOJCDK-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235013;MM235013;COCCC(C)(O)C(C)C;VHKYOXVCCNZMCP-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235014;MM235014;COCCC(C)(O)C(C)F;GXBCPYKNUPGIJQ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235015;MM235015;COCCC(C)(F)C(C)C;CYRBWPAGGOAGBP-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235016;MM235016;COCCC(C)(F)C(C)N;BITXRCOFJFUKKJ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235017;MM235017;CCNCC(C)(C)C(C)C;SDFMWDNHQISDIY-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235018;MM235018;CCNCC(C)(C)C(C)N;JBRPLYPSARWXAA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235019;MM235019;CCNCC(C)(C)C(C)O;GHTGPFCNXWDULA-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235020;MM235020;CCNCC(C)(C)C(C)F;LAOQBYNPJKMZBI-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235021;MM235021;CCNCC(C)(N)C(C)C;BIDYEBCSSKIPPM-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235022;MM235022;CCNCC(C)(N)C(C)F;GYXINPZXEVUEPW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235023;MM235023;CCNCC(C)(N)C(F)F;WLCYDVIJVQKVKR-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235024;MM235024;CCNCC(C)(O)C(C)C;KLNYJFKKDNJKHS-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235025;MM235025;CCNCC(C)(F)C(C)C;MRXVYVJVAUCWAV-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235026;MM235026;CCNCC(C)(F)C(C)F;PJHAKBSFWQIWPP-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235027;MM235027;CCOCC(C)(C)C(C)N;MEWHAHPRUPGFIR-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235028;MM235028;CCOCC(C)(N)C(C)C;QRRDCVRJGSEDPX-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235029;MM235029;CCOCC(C)(O)C(C)N;GHODOHUVQLNIMA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235030;MM235030;CCCNC(C)(C)C(C)C;UZJZJTYIODZJOK-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235031;MM235031;CC(C)C(C)(C)NCCN;BMIBDHLDPUZJMD-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235032;MM235032;CC(C)C(C)(C)NCCO;DEYHEQZSUFKGKF-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235033;MM235033;CC(C)C(C)(C)NCCF;ONTHUBDYGVXQFR-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235034;MM235034;CCCNC(C)(C)C(C)N;MGODEKUBGOFYQB-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235035;MM235035;CC(N)C(C)(C)NCCO;HUNFFCLQDMIWMF-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235036;MM235036;CCCNC(C)(C)C(C)O;RENWHDNTEGCRRC-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235037;MM235037;CCCNC(C)(C)C(C)F;GDUUYQJTGXZHEJ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235038;MM235038;CC(F)C(C)(C)NCCO;WPXPFLJXFNYLOI-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235039;MM235039;CC(C)(NCCN)C(F)F;SPJNYWWWGQQQMB-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235040;MM235040;CC(C)C(C)(C)OCCN;GKRALSVDIIAHTE-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235041;MM235041;CC(C)C(C)(C)OCCO;NNFUWXIYDDPABL-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235042;MM235042;CC(C)C(C)(C)OCCF;LTTVAIGVASHMKS-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235043;MM235043;CC(O)C(C)(C)OCCN;AMNQHBOYKKTWKZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235044;MM235044;CC(F)C(C)(C)OCCO;CVHSSGYPJWHQQI-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235045;MM235045;COCOC(C)(C)C(C)C;RXBZXUJNSDEING-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235046;MM235046;CCCCC(C)(C)N(C)C;WKYHBBBPYHOHGS-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235047;MM235047;CN(C)C(C)(C)CCCN;LWZQDAJUKZLBJB-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235048;MM235048;CN(C)C(C)(C)CCCO;RINFGELNSJJLQB-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235049;MM235049;CCNCC(C)(C)N(C)C;JBEUJQIOVNTREB-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235050;MM235050;CCOCC(C)(C)N(C)C;IAFKRTDICBBJBR-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235051;MM235051;C=CCCC(C)(N)C(C)C;QOFXMNOYEOVEHB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235052;MM235052;C=CCCC(C)(N)C(C)O;VTDIEHSMMGINFA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235053;MM235053;C=CCCC(C)(N)C(C)F;DMRLKDAMMLIPBY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235054;MM235054;CC(O)CON(C)C=NN;XVCQUSSUCYPBAE-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235055;MM235055;CC(C)C(C)(O)CCC=O;DMGLEAQEGSPBBB-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235056;MM235056;C=CCCC(C)(O)C(C)O;TUWRACXLSVMAKO-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235057;MM235057;CC(O)C(C)(O)CCC=O;KXTDHGFJGLUNBU-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235058;MM235058;CC(C)C(C)(F)CCC=O;VXTUXZCJXSDNMK-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235059;MM235059;C=CCCC(C)(F)C(C)N;JQLKDMIIXLCDGC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235060;MM235060;CC(O)C(C)(F)CCC#N;PFPQOFFJBGWPCG-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235061;MM235061;CC(C)C(F)(F)CCC=O;SVNVITBRCWVJFO-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235062;MM235062;CC(C)C(C)(C)CNC=N;QUKLNAYTFGYYGZ-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235063;MM235063;CNN(CC(F)F)C(N)=O;RQTNTXSVAUTOKR-UHFFFAOYSA-N;153.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235064;MM235064;CC(F)C(C)(C)CNC=N;MCHJVDWXQBHCDV-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235065;MM235065;CNN=CNOCC(C)O;QMAHVWPPALYOEZ-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235066;MM235066;CC(C)(CNC=N)C(F)F;SBBSPDFCJNSOCM-UHFFFAOYSA-N;150.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235067;MM235067;CC(O)C(C)(N)CNC=N;NQARMNRBVFTWAH-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235068;MM235068;CC(O)C(C)(N)CNC=O;GRGNXNLRDOWOPY-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235069;MM235069;CC(F)C(C)(N)CNC=N;MUHKBSADBKNGIY-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235070;MM235070;CC(N)C(C)(O)CNC=O;AKQYCEZBLKUXKL-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235071;MM235071;CC(O)C(C)(O)CNC=N;KIMAEBPUFAAOHK-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235072;MM235072;CC(F)C(C)(O)CNC=N;NZMFHICPVINRTD-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235073;MM235073;CC(C)C(C)(F)CNC=N;UPFITQFCQDAUKL-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235074;MM235074;CON=CNOCC(C)O;ICICLVNNOPASQL-UHFFFAOYSA-N;148.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235075;MM235075;CC(C)C(F)(F)CNC=O;CASZFEUZLAARJU-UHFFFAOYSA-N;151.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235076;MM235076;C=NNCC(C)(C)C(C)C;ZXIGVUJSUAJNBZ-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235077;MM235077;C=NNCC(C)(N)C(C)N;BGRUSNGANHSPFX-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235078;MM235078;C=NNCC(C)(F)C(C)C;RYZCYYRYGFRGAL-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235079;MM235079;C=COCC(C)(C)C(C)C;ZYXMUVJWEMBOPJ-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235080;MM235080;CC(C)C(C)(C)COC=O;IQKGERNTLPILCT-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235081;MM235081;CC(N)C(C)(C)COC=O;RHJCXPRNYDCSCB-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235082;MM235082;CC(O)C(C)(C)COC=O;AGMUNSXSHBYVNB-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235083;MM235083;CC(C)(COC=O)C(F)F;LDFOLQOSYYHNJC-UHFFFAOYSA-N;152.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235084;MM235084;C=COCC(C)(N)C(C)C;LWSQGUVWDQXCOG-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235085;MM235085;CC(O)C(C)(N)COC=O;RJKPTXOOUVRGHQ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235086;MM235086;C=COCC(C)(N)C(C)F;GPDRTNUSPVPZPR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235087;MM235087;C=COCC(C)(O)C(C)N;AOBLOBQMHUCGKJ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235088;MM235088;C=COCC(C)(O)C(C)O;LHTITIJECRYEDW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235089;MM235089;CC(F)C(C)(O)COC=O;OJXXWTPIWDQENT-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235090;MM235090;CC(O)(COC=O)C(F)F;HDTYBNKTKFGVRF-UHFFFAOYSA-N;154.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235091;MM235091;CC(F)C(C)(F)COC=O;QVWDLCUPLXQDBU-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235092;MM235092;C=NOCC(C)(C)C(C)C;FGQAMTIAPSJZCD-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235093;MM235093;C=NOCC(C)(C)C(C)N;WJGNNEYLHRTXQQ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235094;MM235094;C=NOCC(C)(C)C(C)F;APXUCZZHBHMOIF-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235095;MM235095;C=NOCC(C)(N)C(C)C;OGPYNJJKOMOAII-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235096;MM235096;C=CCC(O)CNN=CC;TYMVLQGGVPLIAK-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235097;MM235097;C=NOCC(C)(F)C(C)C;RVAAEQXPAZPWKG-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235098;MM235098;C=CCNC(C)(C)C(C)C;FTPACJPUHPCSBX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235099;MM235099;CC(C)C(C)(C)NCC#N;FZIVTYXGTDOJJN-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235100;MM235100;CC(F)C(C)(C)NCC#N;NKTTWGHSZDROGY-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235101;MM235101;CCC#CCN(O)C=NN;XZSYWOFPPOZRNC-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235102;MM235102;CC(N)C(C)(C)NNC=N;DMVAHSZGEPSNIV-UHFFFAOYSA-N;144.22;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235103;MM235103;CC(N)C(C)(C)NNC=O;RZBBDKALJVEMAO-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235104;MM235104;C=CC#CCN(O)C=NC;IRRUNCKPEDWILL-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235105;MM235105;CC(C)(NNC=N)C(F)F;QBLVMWBCPQBKPS-UHFFFAOYSA-N;151.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235106;MM235106;CC(C)(NNC=O)C(F)F;FBKKCEBYSUKTID-UHFFFAOYSA-N;152.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235107;MM235107;C=CCOC(C)(C)C(C)C;OLTVJCQXYUZMPU-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235108;MM235108;C=CCOC(C)(C)C(C)O;SNXSMUUQZODHQZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235109;MM235109;C=CCOC(C)(C)C(F)F;DTXFUQOKMSKBEE-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235110;MM235110;CC(C)C(C)(C)ONC=N;HPGYWVSWHVQGQC-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235111;MM235111;CC(C)C(C)(C)ONC=O;ZTFOFAMOGXGABQ-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235112;MM235112;CC(F)C(C)(C)ONC=O;RJBUDRSZYXURNN-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235113;MM235113;C=CCCC(C)(C)N(C)C;XWHNUTGJLHAFMT-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235114;MM235114;CN(C)C(C)(C)CCC=O;BKSMGEHXVYRIBO-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235115;MM235115;C=COCC(C)(C)N(C)C;HZICVRQKOQOODT-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235116;MM235116;C=NOCC(C)(C)N(C)C;HWXSBEUXZSIGQU-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235117;MM235117;C#CCCC(C)(C)C(C)N;CFRJUYRVJKGWDB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235118;MM235118;C#CCNC(C)(C)C(C)C;ZJTLBPLXLZHEEH-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235119;MM235119;C#CCNC(C)(C)C(C)N;GWVPSCPLODAEFN-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235120;MM235120;C#CCOC(C)(C)C(C)C;JKXHMMPEJAFFQW-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235121;MM235121;C#CCOC(C)(C)C(C)N;MEWDVZBKUVXYHL-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235122;MM235122;C#CCCC(C)(C)N(C)C;ZPLDSEZASMEJNI-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235123;MM235123;C=C(C)C(C)(C)CCCC;XCQAMKRARZDXSG-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235124;MM235124;C=C(C)C(C)(C)CCCN;BXOFRUMOGAEWNH-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235125;MM235125;C=C(C)C(C)(C)CCCO;VCGUQWAEPMNLDZ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235126;MM235126;C=C(C)C(C)(C)CCCF;JRETYBGJKHQPAM-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235127;MM235127;CCCCC(C)(C)C(C)=O;BFOHIWPVMRNQNL-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235128;MM235128;CC(=O)C(C)(C)CCCO;DEXMUPWPICXLIE-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235129;MM235129;CCCCC(C)(C)C(=N)N;VWPCRGUEGAQXHH-UHFFFAOYSA-N;142.25;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235130;MM235130;CC(C)(CCCF)C(=N)N;IALAONORBAEAIB-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235131;MM235131;O=CCN=CN(O)CCO;NEXCWDZQJDKKOO-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235132;MM235132;CN=CN=CN(O)CCO;ZDMYSXLBQQKJRS-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235133;MM235133;CCCCC(C)(C)C(=O)O;YTTWDTVYXAEAJA-UHFFFAOYSA-N;144.21;2.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235134;MM235134;N=c1c(O)nncn1N;ZMGTVURAFQZFEU-UHFFFAOYSA-N;127.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235135;MM235135;C=C(F)C(C)(C)CCCO;DMIHDOMYHGRCMV-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235136;MM235136;C=C(C)C(C)(N)CCCC;XLZGRAWCHMOKET-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235137;MM235137;C=C(C)C(C)(N)CCCO;NJWKECRZLSOMBA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235138;MM235138;C=C(C)C(C)(N)CCCF;ITPGYQUARNVSNK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235139;MM235139;CCCCC(C)(N)C(=N)N;PHCDRFLSRVKGDK-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235140;MM235140;CC(N)(CCCF)C(N)=O;ZKFVLZCVYBBHIL-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235141;MM235141;C=C(F)C(C)(N)CCCC;VBWSDCXTVNQWRT-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235142;MM235142;C=C(F)C(C)(N)CCCF;DKNCBQQWFQXOKA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235143;MM235143;CC(=O)C(C)(O)CCCO;RSVTWOUWZZWGCE-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235144;MM235144;C=C(F)C(C)(O)CCCF;BFAVLFCCUGMGPE-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235145;MM235145;C=C(C)C(C)(F)CCCN;BWKAYLYMJNATRQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235146;MM235146;C=C(C)C(C)(F)CCCO;KPOYXHWVPCQIOC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235147;MM235147;CCCCC(C)(F)C(C)=O;BJCRRWCFLNPSLF-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235148;MM235148;CC(=O)C(C)(F)CCCF;VBSVZTWANVXNJZ-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235149;MM235149;CCCCC(C)(F)C(=N)N;FUCZGKOERWKOCZ-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235150;MM235150;CC(F)(CCCF)C(=N)N;BVEZYLTZMFRVIZ-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235151;MM235151;CC(F)(CCCO)C(N)=O;PYXVYIGYGPEBJF-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235152;MM235152;CC(F)(CCCF)C(N)=O;KGSIGZPWXUCFTA-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235153;MM235153;C=C(F)C(C)(F)CCCN;KPKPDRNXQYQVSK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235154;MM235154;C=C(C)C(F)(F)CCCN;NYRHJCWQOPVNDA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235155;MM235155;C=C(C)C(F)(F)CCCO;JHMWFZHGVQMSLH-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235156;MM235156;C=C(C)C(F)(F)CCCF;CKUSJADIRXOAAM-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235157;MM235157;CC(=O)C(F)(F)CCCO;SSORPTBYHRLLGD-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235158;MM235158;CCCCC(F)(F)C(=O)O;PKXVNCYLUCOREQ-UHFFFAOYSA-N;152.14;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235159;MM235159;C=C(C)C(C)(C)CCNC;GZBLFDNWMQKGPJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235160;MM235160;CNCCC(C)(C)C(C)=O;KEGGTLPMGMRWFV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235161;MM235161;CNCCC(C)(C)C(N)=O;NRNSBUDFRRRUEC-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235162;MM235162;CNCCC(C)(O)C(C)=O;CKVKACKCNVSQLV-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235163;MM235163;CNCCC(C)(F)C(N)=O;IOMBGFLYNSZCHP-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235164;MM235164;C=C(F)C(C)(F)CCNC;NMTYDERFFIZLBW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235165;MM235165;C=C(C)C(F)(F)CCNC;RPQYGRQBIODWHB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235166;MM235166;CNCCC(F)(F)C(C)=O;TWXDDPSRXDJWBF-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235167;MM235167;C=C(F)C(F)(F)CCNC;IYCAHQXHRKXNPS-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235168;MM235168;C=C(C)C(C)(C)CCOC;PLZGPCFMRIDLIJ-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235169;MM235169;COCCC(C)(C)C(C)=O;JHBCAMOMFGHHKW-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235170;MM235170;COCCC(C)(C)C(=N)N;MDTJGVPORLWYFP-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235171;MM235171;C=C(F)C(C)(C)CCOC;CYHNCCUAWILISL-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235172;MM235172;C=C(C)C(C)(N)CCOC;HAUNCKPWIGRPIO-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235173;MM235173;COCCC(C)(N)C(=N)N;HHTQEURZUATMSG-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235174;MM235174;C=C(C)C(C)(O)CCOC;GEWCGCRMJJIHPQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235175;MM235175;COCCC(C)(O)C(C)=O;JPMAWQIUKDQXGT-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235176;MM235176;COCCC(C)(O)C(=N)N;JLRWEYMZSUFVSV-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235177;MM235177;COCCC(C)(O)C(N)=O;CDHXRNIEZNXDHC-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235178;MM235178;COCCC(C)(F)C(C)=O;XUAFPVCJFOGHQV-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235179;MM235179;COCCC(F)(F)C(N)=O;NICFXKLOOUVHNN-UHFFFAOYSA-N;153.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235180;MM235180;C=C(C)C(C)(C)CNCC;DWMGUPMUVFUNTO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235181;MM235181;CCNCC(C)(C)C(C)=O;FWODRLWBZKULHG-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235182;MM235182;CCNCC(C)(C)C(=N)N;FJCWUOBBXXRFIC-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235183;MM235183;CCNCC(C)(C)C(N)=O;MHZCBPCOSGRRNY-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235184;MM235184;C=C(F)C(C)(C)CNCC;LMOJKKHPPWQERM-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235185;MM235185;CCNCC(C)(O)C(C)=O;JGKMTXSTPFRNRE-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235186;MM235186;CCNCC(C)(O)C(N)=O;TYFSDPRLWAPLAO-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235187;MM235187;C=C(F)C(C)(O)CNCC;QAVBKDZFGGACFK-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235188;MM235188;C=C(C)C(C)(F)CNCC;BXXIKSUOCJIPFJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235189;MM235189;C=C(F)C(C)(F)CNCC;LRWOBVURLYTFEW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235190;MM235190;C=C(C)C(C)(C)COCC;GAEZTCDYIJDUFG-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235191;MM235191;CCOCC(C)(C)C(C)=O;TZKRYFQAOKBIHF-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235192;MM235192;CCOCC(C)(C)C(=N)N;ZFKJUGJJGUHFKS-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235193;MM235193;O=C1CC(=O)C(=O)N1;LDTICZAFZSQCJO-UHFFFAOYSA-N;113.07;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235194;MM235194;CCOCC(C)(N)C(=N)N;RJKPJCHTNZOCKD-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235195;MM235195;CCOCC(C)(O)C(C)=O;ZNNPEFNVYYCMOR-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235196;MM235196;CCOCC(C)(O)C(=N)N;ZACGTFRLLVHKCB-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235197;MM235197;CCOCC(C)(O)C(N)=O;VQDQAFBGARBLSJ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235198;MM235198;CCOCC(C)(F)C(C)=O;SHDAWWVOZVXTQN-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235199;MM235199;C=C(C)C(C)(C)NCCC;PCJNETUGOJWEFW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235200;MM235200;C=C(C)C(C)(C)NCCO;PKVOKIPUDDBKAU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235201;MM235201;C=C(C)C(C)(C)NCCF;CSGGLJLXNAXMOV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235202;MM235202;CCCNC(C)(C)C(C)=O;FDCVHTHSNGLGAC-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235203;MM235203;CC(C)(NCCN)C(=N)N;FGJXQPKXGDETAS-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235204;MM235204;CC(C)(NCCO)C(=N)N;MCMWUBTVWPEXRL-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235205;MM235205;C=C(C)C(C)(C)OCCC;HJUNBILEFHTRHE-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235206;MM235206;C=C(C)C(C)(C)OCCN;WXFYCNOOMLQISV-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235207;MM235207;C=C(C)C(C)(C)OCCO;AVMSECPFCNQZLI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235208;MM235208;CC(=O)C(C)(C)OCCO;JMRHUKCFZQXENC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235209;MM235209;C=C(F)C(C)(C)OCCN;BFNRDOFJDGETEC-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235210;MM235210;C=C(F)C(C)(C)OCCO;XIVJWQCNJKPSBN-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235211;MM235211;C=C(C)C(C)(C)OCOC;XKUZOPSBZOXJRQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235212;MM235212;COCOC(C)(C)C(=N)N;ZJNHOCSANIWDIK-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235213;MM235213;C=CCCC(C)(C)C(=C)C;TZAOUMIUPYXLEB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235214;MM235214;C=C(C)C(C)(C)CCC=O;UJJXTNBNXXTVEW-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235215;MM235215;C=CCCC(C)(C)C(C)=O;SAHWPWYEHZDKFV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235216;MM235216;CC(=O)C(C)(C)CCC=O;KZFWMHDJDGUNRG-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235217;MM235217;CC(C)(CCC=O)C(=N)N;LIEVZGXSJSZYJC-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235218;MM235218;CC(=O)N(C)C(=NN)NO;OWKXKCAFQZFDIH-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235219;MM235219;C=C(F)C(C)(C)CCC=O;FFZDRENMBUIUGB-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235220;MM235220;C=CCCC(C)(N)C(=C)F;BJZZQJFTUKDEGZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235221;MM235221;Nc1oc(=O)c(=O)oc1O;JFVAGCBXYXCVLD-UHFFFAOYSA-N;145.07;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235222;MM235222;C=C(C)C(C)(F)CCC=O;JTDFSOLGOBVDIQ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235223;MM235223;C=CCCC(C)(F)C(=N)N;NHOKSCZGBWORHV-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235224;MM235224;CC(F)(CCC=O)C(N)=O;LKYOHBIMNBGZJU-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235225;MM235225;C=CCCC(F)(F)C(=C)C;RSYXFXMDUHJLQZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235226;MM235226;C=C(C)C(F)(F)CCC=O;ZADBNPJDNQRAAZ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235227;MM235227;CC(=O)C(F)(F)CCC=O;REFMQDXGAGTJGJ-UHFFFAOYSA-N;150.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235228;MM235228;Cn1c(O)c(O)n(O)c1=O;DWPPGSQUNCZLQN-UHFFFAOYSA-N;146.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235229;MM235229;C=C(F)C(F)(F)CCC=O;WTWXWWVIEYLCFN-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235230;MM235230;C=C(C)C(C)(C)CNC=N;AWGGPNSHGFIWTE-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235231;MM235231;Nc1nn(CC=O)oc1=O;QWJQQDSFKOSVHN-UHFFFAOYSA-N;143.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235232;MM235232;CC(C)(CN=CN)C(N)=O;WQSXIHMPNGVXFE-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235233;MM235233;COc1nc(=O)cc(O)o1;IRXCFPXXNLUCCP-UHFFFAOYSA-N;143.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235234;MM235234;C=C(F)C(C)(C)CNC=N;XDTZTVDHZCSTFH-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235235;MM235235;C=C(C)C(C)(N)CNC=N;WLFHRMKIDYGUKG-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235236;MM235236;C=C(C)C(C)(N)CNC=O;CSNOZTGIQXRYSL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235237;MM235237;CC(N)(CN=CN)C(N)=O;MWQWHQMZPGIMEI-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235238;MM235238;CC(O)(CNC=O)C(=N)N;KWTQSIRFWZJVJQ-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235239;MM235239;CC(O)(CN=CN)C(N)=O;MHTATQAQSNFJCQ-UHFFFAOYSA-N;145.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235240;MM235240;C=C(F)C(C)(O)CNC=O;OIBWICSMXIHCIX-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235241;MM235241;C=C(C)C(C)(F)CNC=N;QGRPETYBHVEMFS-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235242;MM235242;CC(F)(CNC=N)C(=N)N;YXJZNBNPWSWZEP-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235243;MM235243;N=CNCC(F)(F)C(=N)N;KGVMHTJAYMHGOA-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235244;MM235244;C#CC(CO)N1CC1(C)C;KLEOEFLYTDBCEY-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235245;MM235245;C=NNCC(C)(C)C(=C)C;XIKDVVNEYQOSAN-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235246;MM235246;CC1(CO)CCC(C#N)N1;UDHXVZLLDSGRQQ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235247;MM235247;C=NNCC(C)(C)C(=N)N;LAXHTUOODSCHHY-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235248;MM235248;C=NNCC(C)(C)C(=C)F;RTMMYLRRSUHWIH-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235249;MM235249;N#CC(=N)NCC1(O)CC1;XAOZZVQZTIPEDH-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235250;MM235250;C=COCC(C)(C)C(=C)C;RWLRDMAQXAPZSU-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235251;MM235251;C=C(C)C(C)(C)COC=O;MRFMORQIDJMAAL-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235252;MM235252;C=COCC(C)(C)C(C)=O;MIMCZXGHYIVIPB-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235253;MM235253;C=Cn1oc(=NO)[nH]c1=O;MXYWQKVVHSJZIQ-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235254;MM235254;C=COCC(C)(N)C(=C)C;TWFUYEKLDPBAGO-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235255;MM235255;C=COCC(C)(N)C(=N)N;ONJCZDBSFQZFBT-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235256;MM235256;CC(N)(COC=O)C(=N)N;STRSWVXJVBVAGW-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235257;MM235257;C=COCC(C)(O)C(=N)N;KFRFKCVOTLBMLW-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235258;MM235258;CCC(=CCC(=O)O)OC;OZCOVPOWWPVIJW-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235259;MM235259;C=C(C)C(F)(F)COC=O;PVZKVPGLMFWCGH-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235260;MM235260;C=COCC(F)(F)C(=N)N;CPVSWFAKTRBROW-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235261;MM235261;CNC1(C#N)C=CC(O)C1;IEOYTBMZQKMMMO-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235262;MM235262;CCCOC=CCC(=O)O;LYIDXPSTSLBSKN-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235263;MM235263;C=NOCC(C)(O)C(=N)N;CTYBAMYSTPSZLR-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235264;MM235264;Nc1nc(=O)nc(O)n1O;NEUQKNUNNFSBQE-UHFFFAOYSA-N;144.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235265;MM235265;C=NOCC(F)(F)C(=N)N;FRANUBLFYAAOEY-UHFFFAOYSA-N;151.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235266;MM235266;C=C(C)C(C)(C)NCC#N;RGRKHVPRRAQLPQ-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235267;MM235267;C=CCNC(C)(C)C(=N)N;OCYIAEFCGVRMJF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235268;MM235268;CCC=C(CO)CC(=O)O;OIKIAKCNCAYPHS-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235269;MM235269;C=C(F)CC(C#N)=NO;FRUZYXPAZUCPLF-UHFFFAOYSA-N;128.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235270;MM235270;C=C(C)C(C)(C)OCC=O;DJNZYCXNHMIEOI-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235271;MM235271;C=C(C)C(C)(C)OCC#N;HUZABOBRHSWFAA-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235272;MM235272;C=CCOC(C)(C)C(C)=O;GKWNXFUNCIOUTB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235273;MM235273;CC(=O)C(C)(C)OCC=O;YEVZTCQGEPIAJL-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235274;MM235274;C=CCOC(C)(C)C(N)=O;DYQQGWMPFJAETN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235275;MM235275;CCC(=CCC(=O)O)CO;RLPKRSITJLNZGR-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235276;MM235276;C=C(F)C(C)(C)OCC=O;VVZSCZORANJEKG-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235277;MM235277;C=C(C)C(C)(C)ONC=N;RAYJZDBINLJLQY-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235278;MM235278;CC(=O)C(C)(C)ONC=O;CWROCFPSWKQAPN-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235279;MM235279;C=C(F)C(C)(C)ONC=O;NMMVKPYOFRQJDF-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235280;MM235280;C#CCCC(C)(C)C(=C)C;MUCANZCSBGQKSA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235281;MM235281;C#CCCC(C)(C)C(=N)N;ZDFHENWKGLPXIH-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235282;MM235282;C#CCCC(C)(C)C(=O)O;SBROPWZUBQDYTJ-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235283;MM235283;C#CCCC(C)(N)C(=N)N;VVWKWALWSDSFSP-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235284;MM235284;C#CCCC(C)(O)C(C)=O;AIVQYOSVFIISDK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235285;MM235285;C#CCCC(C)(F)C(N)=O;JHPVPBMCIAMVPQ-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235286;MM235286;C#CCCC(C)(F)C(=O)O;BEMYHYRGIBAAKN-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235287;MM235287;C#CCNC(C)(C)C(=C)C;JBTPYWNNXZVEAZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235288;MM235288;C#CCNC(C)(C)C(=N)N;FAPBLPGVZIWHDQ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235289;MM235289;C#CCOC(C)(C)C(=C)C;MYLXCDBHKYYXTP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235290;MM235290;C#CCOC(C)(C)C(C)=O;QCXKVDQBUJYOJL-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235291;MM235291;CC(C)C(C)(C)CC=CF;TVDDTGRBXNITDJ-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235292;MM235292;CC(C)C(C)(N)CC=CF;YCVQJGWZRKOEFY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235293;MM235293;CC=CCC(C)(N)C(C)F;YABSKOUCNBCEQJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235294;MM235294;CC(F)C(C)(N)CC=CF;NTJXGGLBDIHJRU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235295;MM235295;CC(C)C(C)(O)CC=CF;AMYJMLWINFFAAM-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235296;MM235296;CC(O)C(C)(O)CC=CF;SEUVIBBQIFYJRA-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235297;MM235297;CC=CCC(C)(O)C(C)F;PAAVHNYGBCPTDY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235298;MM235298;CC(C)C(F)(F)CC=CF;MCZAVPNWDKPYKZ-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235299;MM235299;CC(C)C(C)(C)CC=NN;XZLHZKSOIJEBEZ-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235300;MM235300;CC(N)C(C)(C)CC=NO;FUPYACRCZKAPJG-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235301;MM235301;CC(C)(CC=NO)C(F)F;FORQYDCZMMRQMD-UHFFFAOYSA-N;151.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235302;MM235302;CC(C#N)NC1(CO)CC1;OIGBXNPPYCFZJE-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235303;MM235303;C#CC(C)(CO)CN1CC1;MKHOVNFZMVRUCA-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235304;MM235304;CC(O)(CC=NO)C(F)F;DXNNLPRJYDJDGU-UHFFFAOYSA-N;153.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235305;MM235305;CC(C)C(C)(F)CC=NN;WOCJPFOYOCDNQQ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235306;MM235306;CC(C)C(C)(F)CC=NO;PPILHQLQAWFUKE-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235307;MM235307;CC(F)C(C)(F)CC=NO;HMLMKIAJBPKHSX-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235308;MM235308;CN=CNC(C)(C)C(C)C;GUCMXPDJWMQDTK-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235309;MM235309;CC(C)C(C)(C)N=CNN;HVUILTCPTDQVNY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235310;MM235310;CN=CNC(C)(C)C(C)O;DINZJGFERNJPRS-UHFFFAOYSA-N;144.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235311;MM235311;CC=NNC(C)(C)C(C)C;LOOHOJWMWXCKDG-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235312;MM235312;CC=NNC(C)(C)C(C)N;DXOAKLXZOGXUQJ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235313;MM235313;CC(=NN)C(F)=C(N)CO;ZYXNWKBRCOYKCR-UHFFFAOYSA-N;147.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235314;MM235314;CC=NNC(C)(C)C(C)F;FSVWCFFFODLXNA-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235315;MM235315;CC=NNC(C)(C)C(F)F;FANWZQSSLDRTLE-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235316;MM235316;CC=COC(C)(C)C(C)C;SFBOIFMTTMSTOC-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235317;MM235317;CC=COC(C)(C)C(C)N;MGMWYTXUWIFQHW-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235318;MM235318;CC(N)C(C)(C)OC=CF;JBCSTOFSWZZPQP-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235319;MM235319;CC=NOC(C)(C)C(C)N;KVVJJOBJNSSKBN-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235320;MM235320;CC=CCC(C)(C)N(C)C;PWJGWMRVPOJICM-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235321;MM235321;CN(C)C(C)(C)CC=NN;CWBAZOKMHLQTOJ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235322;MM235322;C=C(C)C(C)(C)CC=CC;IXVGQEMGYRNGRS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235323;MM235323;CC=CCC(C)(C)C(C)=O;MWBZCOVFOJSXNV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235324;MM235324;CC(=O)C(C)(C)CC=CF;ZMJCRLHBCQMZQW-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235325;MM235325;CC=CCC(C)(C)C(=N)N;OBAFQEOICHYBST-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235326;MM235326;CC(C)(CC=CF)C(=N)N;PIXPSBPGRGMYRI-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235327;MM235327;CC#CCN(O)C=NNC;COOVDLMHHXNOOJ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235328;MM235328;CON=CC(F)=C(N)CO;VAZISYMMKXQKDR-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235329;MM235329;CC=CCC(C)(C)C(=O)O;QUMUREQGSRMVFQ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235330;MM235330;CC(C)(CC=CF)C(=O)O;CWZLBZQHHGJIMI-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235331;MM235331;C=C(C)C(C)(N)CC=CC;GTUDLIYFVXQNRF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235332;MM235332;C=C(C)C(C)(N)CC=CF;FRFXJALSNIMPFS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235333;MM235333;CC(N)(CC=CF)C(N)=O;SWNSZCFIRFGSPQ-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235334;MM235334;C=C(F)C(C)(N)CC=CC;RSWKARARBZKTGA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235335;MM235335;C=C(C)C(C)(O)CC=CF;QGMJKCXYWCVDEA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235336;MM235336;CC=CCC(C)(O)C(C)=O;RUBNUOVUNALRSD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235337;MM235337;C=C(C)C(C)(F)CC=CF;SCWLRXDLTJNCBX-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235338;MM235338;CC=CCC(C)(F)C(C)=O;ZYPQZMSIZGCVDJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235339;MM235339;CC=CCC(F)(F)C(C)=O;MLJJVVYHIZAHJK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235340;MM235340;CC(=O)C(F)(F)CC=CF;RZFSYHUOAFWFSX-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235341;MM235341;C=C(C)C(C)(C)CC=NN;SRDXVQFBCXQKEC-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235342;MM235342;CC(C)(CC=NO)C(=N)N;IFAIFZFPKILPBL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235343;MM235343;C=C(CO)N(C=O)N=CC;FUENMAHFMACDGX-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235344;MM235344;C=C(C)C(F)(F)CC=NO;KVRXEKNAWLNZRV-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235345;MM235345;C=C(C)C(C)(C)NC=NC;AHNLYYQDAVSZSQ-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235346;MM235346;CN=CNC(C)(C)C(C)=O;ZEPPDVFHLSXQDA-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235347;MM235347;C=C(C)C(C)(C)NN=CC;LGVZAEFVZRSATO-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235348;MM235348;CC=NN(C=O)C(=N)NO;IMKJGYSAULRHCI-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235349;MM235349;C=C(F)C(C)(C)NN=CC;XNAYXEKABSKYNG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235350;MM235350;C=C(C)C(C)(C)OC=CC;QMHQKSZOBJWFBE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235351;MM235351;C=C(C)C(C)(C)OC=CF;UACICVUJXMSEEJ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235352;MM235352;CC(C)(OC=CF)C(=N)N;ZCBOXVCGLTXKPD-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235353;MM235353;CC(C)(OC=CF)C(N)=O;KCJNIGDOKOTTLD-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235354;MM235354;CC(C=CC(=O)O)CCO;WPUVCXISQYPRRQ-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235355;MM235355;C=C(C)C(C)(C)ON=CC;BEMRXGGHHNQPQG-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235356;MM235356;N#CC=C(CO)NCCO;KJKPAQPMYXDGOR-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235357;MM235357;CC#CCC(C)(C)C(C)C;SAEDYKDFWPZGAM-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235358;MM235358;CC#CCC(C)(N)C(C)C;BDTDMSUTQSGLNK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235359;MM235359;CC#CCC(C)(N)C(C)O;BYRMKDUBROICMN-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235360;MM235360;C=NNCC(=CF)C(C)O;VPCNNPJUGNNYFZ-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235361;MM235361;CC#CCC(C)(O)C(C)N;VFSIPECLDOPQPN-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235362;MM235362;C=C(C)C(C)(C)CC#CC;QUOSJSHTHMVSFF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235363;MM235363;CC#CCC(C)(C)C(=N)N;QGAYIKSVSAPLKG-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235364;MM235364;CC#CCC(C)(C)C(N)=O;KOSBXCNPHTWVCM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235365;MM235365;CC#CCC(C)(C)C(=O)O;VOVWUMAAGRLKRK-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235366;MM235366;C=C(C)C(C)(N)CC#CC;UHDSFUIGZSHWNJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235367;MM235367;CC#CCC(C)(N)C(=N)N;TYCRIHDVNLIAHE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235368;MM235368;CC#CCC(C)(O)C(C)=O;JLYGEIZJHXMJAT-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235369;MM235369;CC#CCC(C)(F)C(C)=O;STXBBPTUDRLYDI-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235370;MM235370;CCC=CC(C)(C)C(C)C;NBPZFPVBPYTDQU-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235371;MM235371;CC(C)C(C)(C)C=CCN;ANTCOJAVNLMFGK-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235372;MM235372;CC(C)C(C)(C)C=CCF;QFPJKXVWSALVLG-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235373;MM235373;CCC=CC(C)(C)C(C)N;GMDLOUVXVNQYCJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235374;MM235374;CN(O)C(CNC=O)=NN;CBPWBCKDTKGQCS-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235375;MM235375;CC(O)C(C)(C)C=CCN;RMDKSRYYJZFKJI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235376;MM235376;Cn1c(N)noc(=O)c1=N;HJZYJQUNLRSEFA-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235377;MM235377;CC(F)C(C)(C)C=CCN;OJQRQVJFRZLDFN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235378;MM235378;CCC=CC(C)(N)C(C)C;RQGVQPGGKUTSJC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235379;MM235379;CC(C)C(C)(N)C=CCO;YHTPONVQHGSOPN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235380;MM235380;CC(C)C(C)(N)C=CCF;IOUKLSNTZJEFTR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235381;MM235381;CC(N)C(C)(N)C=CCF;WGXLOKIVKUBDHM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235382;MM235382;CC(O)C(C)(N)C=CCN;RKGVFNBDKBJCIF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235383;MM235383;CC(N)(C=CCN)C(F)F;IXGCJSPVYVSLNU-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235384;MM235384;CC(C)C(C)(F)C=CCN;BPKBHGRMKDGATH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235385;MM235385;CC(C)C(C)(F)C=CCO;JRTXXTVZEVASGI-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235386;MM235386;CC(O)C(C)(F)C=CCO;QSPXTEJOOVPROJ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235387;MM235387;COC=CC(C)(C)C(C)C;LGOJZZOVMGYMBD-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235388;MM235388;COC=CC(C)(N)C(C)N;ORTJJUVFSBRZBB-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235389;MM235389;COC=CC(C)(N)C(C)O;RLCWXBUHLZAZOG-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235390;MM235390;CNN=CC(C)(C)C(C)C;GRIPQHNVXDHFNH-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235391;MM235391;CNN=CC(C)(C)C(C)F;GJHHKOLYLOTQOH-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235392;MM235392;CNN=CC(C)(N)C(C)N;HRFFAKMZMZJLGI-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235393;MM235393;CNN=CC(C)(N)C(F)F;HJKMIMGQWRRCBC-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235394;MM235394;C=NN(C=N)C(=CC)CO;ZBOSYABRKFGZMA-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235395;MM235395;CNN=CC(C)(F)C(C)C;XJJFXVCGMHJKFK-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235396;MM235396;C#CC(CO)N(C)CC#N;DOAKZIBROIKTCF-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235397;MM235397;CON=CC(C)(C)C(C)C;DZPSDDSIJBIJEJ-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235398;MM235398;CON=CC(C)(N)C(C)N;LQJCTFHCNZUTJG-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235399;MM235399;CCC=CC(C)(C)N(C)C;UIONHYSACUCOGM-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235400;MM235400;CN(C)C(C)(C)C=CCO;FPSDTZBDYHLRFH-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235401;MM235401;C=CC=CC(C)(C)C(C)N;PZOWYMWKCRWZDM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235402;MM235402;C=CC=CC(C)(N)C(C)C;GPTIZKOCAOIJMR-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235403;MM235403;CC(C)C(C)(O)C=CC=O;FJEGBSNHSSRNBF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235404;MM235404;CC(F)C(C)(O)C=CC=O;ZEXHNSXMHWZEHF-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235405;MM235405;C=NN=CC(C)(C)C(C)C;FRIMURNFLGWKAF-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235406;MM235406;C=NN=CC(C)(C)C(C)N;WDIPKOMCCJONLH-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235407;MM235407;C=NN=CC(C)(C)C(C)F;WTTKPSVFVQTULF-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235408;MM235408;C=NN=CC(C)(C)C(F)F;BVIDYFWRFZLGFY-UHFFFAOYSA-N;148.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235409;MM235409;C=NN=CC(C)(N)C(C)C;WYVPIYMWHUKESE-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235410;MM235410;C=NN=CC(C)(O)C(C)C;JWUTUBGJKQSXFP-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235411;MM235411;C=NN=CC(C)(O)C(C)N;YBZUUWLEKPDSRO-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235412;MM235412;C=NN=CC(C)(F)C(C)N;IQSRFGJTVWHLCB-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235413;MM235413;C=CC=CC(C)(C)N(C)C;RNTYNSZJPVIANY-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235414;MM235414;CN(C)C(C)(C)C=CC=O;VVJVWRDUCFMIGA-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235415;MM235415;C#CC=CC(C)(C)C(C)N;WHBMAGGKOKFSFI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235416;MM235416;C#CC=CC(C)(N)C(C)C;BRFDQIRDZZRWDS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235417;MM235417;C#CC=CC(C)(N)C(C)N;BRSGBWWRVKYCFM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235418;MM235418;C#CC=CC(C)(N)C(C)O;DZQZEAMSTVWWNP-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235419;MM235419;C#CC=CC(C)(O)C(C)N;CIYUUVIDKMSWCB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235420;MM235420;C#CC=CC(C)(O)C(C)O;YVVYJFDWTCYUAW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235421;MM235421;C#CC=CC(C)(C)N(C)C;SAZPKHLBGSBPQB-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235422;MM235422;C=C(C)C(C)(C)C=CCC;PRMICTRHNIZNDK-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235423;MM235423;C=C(C)C(C)(C)C=CCN;UTKQKDMXSJHIME-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235424;MM235424;C=C(C)C(C)(C)C=CCO;WLLIAWSCIUDQAZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235425;MM235425;C=C(C)C(C)(C)C=CCF;PFIGUNCSJYVQAO-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235426;MM235426;CCC=CC(C)(C)C(C)=O;YYKNCFXNTSSHCD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235427;MM235427;CC(=O)C(C)(C)C=CCO;YDVYXWSMLDJITD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235428;MM235428;CC(C)(C=CCN)C(=N)N;IDCWFNONRUYRAE-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235429;MM235429;C=COc1ccc(NC)[nH]1;YMLUJFSHBWLVJE-UHFFFAOYSA-N;138.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235430;MM235430;CC(C)(C=CCN)C(N)=O;WIJNOXNYZKRSIF-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235431;MM235431;CCC=CC(C)(C)C(=O)O;MXYSDOVUULHUJB-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235432;MM235432;C=C(F)C(C)(C)C=CCN;LPJODBSROFHARY-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235433;MM235433;C=C(C)C(C)(N)C=CCF;VKNKINWANZFWNY-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235434;MM235434;C=C(C)C(C)(O)C=CCN;KIMXXRIHHXJMTM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235435;MM235435;CCC=CC(C)(O)C(C)=O;AHIJLIQTKBSSAW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235436;MM235436;CC(=O)C(C)(O)C=CCO;RZSQVPGTYVEOON-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235437;MM235437;CCC=CC(C)(O)C(=N)N;FJBPEBWNBIYXSL-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235438;MM235438;CC(O)(C=CCO)C(N)=O;JOJMJGUUURMGIN-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235439;MM235439;CC(O)(C=CCF)C(N)=O;BMPWEMYECCWLIL-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235440;MM235440;C=C(F)C(C)(O)C=CCO;SLINAXQJMBDQRU-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235441;MM235441;C=C(C)C(C)(F)C=CCO;JEKCDKNQTDQZLB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235442;MM235442;CCC=CC(C)(F)C(C)=O;YOAFSGNTNMACQB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235443;MM235443;CC(=O)C(C)(F)C=CCF;LJJKVSDDQZKUJB-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235444;MM235444;CC(F)(C=CCO)C(N)=O;UZKLCRRXHVERBH-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235445;MM235445;C=C(C)C(F)(F)C=CCN;XVMKVJKWFXTKAG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235446;MM235446;COC=CC(C)(C)C(=N)N;OXAREKARAPNTRP-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235447;MM235447;COC=CC(C)(C)C(N)=O;ZLKGXJDLTGYCAH-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235448;MM235448;C=C(C)C(C)(N)C=COC;DFRZKCGDGHEQML-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235449;MM235449;COC=CC(C)(N)C(=N)N;VYIPLGINDGXSIX-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235450;MM235450;COC=CC(C)(O)C(N)=O;VUWGNVIAHLSFND-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235451;MM235451;C=C(C)C(C)(C)C=NNC;QPTJPJRESVMTDS-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235452;MM235452;CC(=CCC(=O)O)C(C)O;BIXLTMWXXAZZII-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235453;MM235453;C=C(F)C(C)(C)C=NNC;DAHQMGJPQLKLKH-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235454;MM235454;N#CC=C1N=C(NO)NN1;OYRFGLCRKNXZAB-UHFFFAOYSA-N;139.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235455;MM235455;C#CC12CN(N)C(=O)C1N2;KNOWVPNJPJUREM-UHFFFAOYSA-N;137.14;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235456;MM235456;C=C(C)C(C)(F)C=NNC;COLJDOOIOLINEX-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235457;MM235457;Cc1c(CO)c[nH]c1N=N;FVLJVAQUMMXNLF-UHFFFAOYSA-N;139.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235458;MM235458;CNc1c[nH]c(CO)c1C;DMUAOVNGJKXNTD-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235459;MM235459;CC(C)(C=CC(=O)O)CO;YDHJPQZWTQPOIK-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235460;MM235460;C=C(C)C(C)(C)C=NOC;LJFQXORBCCRKNG-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235461;MM235461;C#CC(CO)N1CC1C=C;DEKDGSUTDZTDCL-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235462;MM235462;C=C(C)C(C)(N)C=NOC;WUFHFELFKGVBGB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235463;MM235463;C=CC=CC(C)(C)C(=C)C;YIUFZEJTJSHFKU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235464;MM235464;C=C(C)C(C)(C)C=CC=O;XWUMEKNZBWLMOU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235465;MM235465;C=C(C)C(C)(C)C=CC#N;DKSJZKQTWWQTOO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235466;MM235466;C=CC=CC(C)(C)C(C)=O;NQZDWRAKNRXWKD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235467;MM235467;CC(=O)C(C)(C)C=CC=O;QJIDTBQCBVWOGF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235468;MM235468;C=CC=CC(C)(C)C(=N)N;YATQSJWAAJJCIZ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235469;MM235469;CC(C)(C=CC=O)C(=N)N;BSRLVVOFNNSNNJ-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235470;MM235470;C#CC(CO)N1CC1C#N;RCLUMODISMPNTL-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235471;MM235471;C=CC=CC(C)(C)C(=O)O;MPYKQWHKFCGXSI-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235472;MM235472;C#CC#CC(F)C=NO;OWPAKFIRNGFGNQ-UHFFFAOYSA-N;125.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235473;MM235473;C=C(F)C(C)(C)C=CC=O;SAEBDROWNDNDFL-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235474;MM235474;C=CC=CC(C)(N)C(=C)C;NVVQDBVSBGDPQO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235475;MM235475;C=CC=CC(C)(O)C(C)=O;XOIBWBXSWSTOOT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235476;MM235476;CC(O)(C=CC#N)C(=N)N;DIMUVCJKQWUMIH-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235477;MM235477;Nc1onc(O)c1N;YXCKLHWIRYBDBW-UHFFFAOYSA-N;115.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235478;MM235478;C=C(C)C(C)(F)C=CC=O;IZAQFASUVJBIGB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235479;MM235479;C=CC=CC(C)(F)C(C)=O;COLBRTFOFJPOFB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235480;MM235480;CC(=O)C(C)(F)C=CC=O;TYXAESWYVSDAFJ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235481;MM235481;C=C(F)C(C)(F)C=CC=O;BAGCUOWHRRRNEH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235482;MM235482;N#CC=CC(F)(F)C(N)=O;CGKNESDGNGMBBW-UHFFFAOYSA-N;146.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235483;MM235483;C=NN=CC(C)(C)C(=N)N;YDDYJGASDGWLGV-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235484;MM235484;C=Cc1onc(CC)c1O;SLBSSSUQXXDQMK-UHFFFAOYSA-N;139.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235485;MM235485;C=NN=CC(C)(C)C(=C)F;MRSFMSCSRQAXDC-UHFFFAOYSA-N;142.18;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235486;MM235486;C=NN=CC(C)(O)C(=C)C;ZNWNOTLLSAEMKP-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235487;MM235487;C=NN=CC(C)(F)C(=C)C;JEWHVQNFHDITJX-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235488;MM235488;C#CC(CO)N1C(C)C1C;VHHIZSIFCGOYLM-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235489;MM235489;Nn1ncc(O)nc1=NO;XQXIULXNCQDVKV-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235490;MM235490;C=NN=CC(C)(F)C(=C)F;OHHAGXWJHZNABW-UHFFFAOYSA-N;146.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235491;MM235491;Cc1nn(C)c(F)c1O;ASGCDVZSMLWBML-UHFFFAOYSA-N;130.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235492;MM235492;C#CC=CC(C)(C)C(=C)C;KGRPQIYLGGHNNO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235493;MM235493;C#CC=CC(C)(C)C(C)=O;JGVFZRSCHRCLGN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235494;MM235494;C#CC=CC(C)(C)C(=N)N;BOPYPZLCZOZSBV-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235495;MM235495;C#CC=CC(C)(C)C(=O)O;NLQAPJISIIRZBC-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235496;MM235496;C#CC=CC(F)(F)C(N)=O;ORJSDFBJVBATMU-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235497;MM235497;CCC#CC(C)(C)C(C)C;XJPAQMGRYKQLKB-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235498;MM235498;CC(C)C(C)(C)C#CCN;GIXFKGVCNWKFOJ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235499;MM235499;CC(C)C(C)(C)C#CCO;DEFFMUQESLKGAP-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235500;MM235500;CC(C)C(C)(C)C#CCF;PZDKNGILGSNILF-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235501;MM235501;CCC#CC(C)(C)C(C)N;CWMBDMMJBNIYFL-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235502;MM235502;CC(N)C(C)(C)C#CCF;IRYBFFWNFQTMRY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235503;MM235503;C#Cc1cc[nH]n1;KUOWLAMMSCRRFS-UHFFFAOYSA-N;92.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235504;MM235504;CCC#CC(C)(C)C(C)F;DDNCEXVDIAHZNS-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235505;MM235505;CC(F)C(C)(C)C#CCN;VCOBEHSITODJLU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235506;MM235506;CC(C)(C#CCN)C(F)F;GZKPRSRKTPMRNQ-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235507;MM235507;CCC#CC(C)(N)C(C)C;QXAZURUVCOWRNF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235508;MM235508;CC(C)C(C)(N)C#CCF;PPDANINWQYIIKL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235509;MM235509;CCC#CC(C)(N)C(C)N;IHVNLCRSUJGHPD-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235510;MM235510;CC(N)C(C)(N)C#CCN;RIVMPWYMAGWJDN-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235511;MM235511;CC(N)C(C)(N)C#CCO;BWOVEUFRYFKFLI-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235512;MM235512;CC(N)C(C)(N)C#CCF;HEQGRXXQYBKHAR-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235513;MM235513;CC(O)C(C)(N)C#CCN;NOGGNYAORJTCCG-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235514;MM235514;CC(O)C(C)(N)C#CCO;JAMANGHTRVLPOT-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235515;MM235515;CC(O)C(C)(N)C#CCF;AJYIQYZHVGWLKW-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235516;MM235516;CC(F)C(C)(N)C#CCN;DBWRIHZVBTYRMF-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235517;MM235517;CC(C)C(C)(O)C#CCF;CYQBOJWIISSDJB-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235518;MM235518;CCC#CC(C)(O)C(C)N;UBEORJSKLXWKHT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235519;MM235519;CC(N)C(C)(O)C#CCN;AZSCSJBPTDIGJU-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235520;MM235520;CC(N)C(C)(O)C#CCO;WTMLGEKIMZJKLC-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235521;MM235521;CC(O)C(C)(O)C#CCN;ONEHXGSGJNNYJD-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235522;MM235522;CC(F)C(C)(O)C#CCN;ZDALZIPBNXNYBF-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235523;MM235523;CCC#CC(C)(F)C(C)C;WFSQVPFIRMFYEC-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235524;MM235524;CC(C)C(C)(F)C#CCN;JAWXNMMUQSPJHD-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235525;MM235525;CC(C)C(C)(F)C#CCO;NCOHMRCQJMPQMC-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235526;MM235526;CC(C)C(C)(F)C#CCF;FXGQNIIBRWUUOQ-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235527;MM235527;CCC#CC(C)(F)C(C)N;QAURAZMVTWMQFJ-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235528;MM235528;CC(O)C(C)(F)C#CCO;ZDHPAXQREQIOAI-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235529;MM235529;NCC#CC(F)(F)C(F)F;QFTPWGYHDJZAOX-UHFFFAOYSA-N;155.09;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235530;MM235530;OCC#CC(F)(F)C(F)F;SKAHITSUAHXGAU-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235531;MM235531;CCC#CC(C)(C)N(C)C;JEOUTNIKBRNBRL-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235532;MM235532;CN(C)C(C)(C)C#CCF;MOTSJHRXYQVVMN-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235533;MM235533;C=CC#CC(C)(C)C(C)C;IHTNSXPIOHGNGI-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235534;MM235534;CC(C)C(C)(C)C#CC=O;XCUBULYMUKPSKH-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235535;MM235535;CC(C)C(C)(C)C#CC#N;HGDSYMAEISXTSG-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235536;MM235536;C=CC#CC(C)(C)C(C)N;XKBHHCGTIUPCSS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235537;MM235537;C#Cc1cn[nH]c1;UXZQDYUBSQMFIE-UHFFFAOYSA-N;92.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235538;MM235538;O=CCN1CC(O)C1;OIVFBJRBMNXQLF-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235539;MM235539;C=CC#CC(C)(C)C(C)F;AUYIIZWDXMSQTQ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235540;MM235540;CC(F)C(C)(C)C#CC#N;TWNSMXALHGJVGJ-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235541;MM235541;CC(C)(C#CC#N)C(F)F;SFSCOPCMKFMZKF-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235542;MM235542;C=CC#CC(C)(N)C(C)C;NGXPIUGTUJCNTR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235543;MM235543;C=CC#CC(C)(O)C(C)C;YGXYPEUFLMTFLV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235544;MM235544;CC(C)C(C)(O)C#CC#N;LYCRDPYCCFWNPP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235545;MM235545;CC(O)C(C)(O)C#CC#N;DBZRVRNPUVQTQO-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235546;MM235546;C=CC#CC(C)(O)C(C)F;XOPJINNVOGTESQ-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235547;MM235547;CC(O)(C#CC=O)C(F)F;ONTTUDVZAKUECF-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235548;MM235548;C=CC#CC(C)(F)C(C)C;RXFXZCKCUQBJHX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235549;MM235549;CC(C)C(C)(F)C#CC=O;AOTPHNPAFPFWRA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235550;MM235550;CC(C)C(C)(F)C#CC#N;BZYJHDHLKLCXGC-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235551;MM235551;CC(F)C(C)(F)C#CC#N;ADRIJOLTXZVQTR-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235552;MM235552;CC(C)C(F)(F)C#CC#N;BPRMGPCNSTVRPS-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235553;MM235553;CC(O)C(F)(F)C#CC=O;SUJGPGKPGIJAGE-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235554;MM235554;O=CC#CC(F)(F)C(F)F;YBMNIWZUNLJGLH-UHFFFAOYSA-N;154.06;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235555;MM235555;C=CC#CC(C)(C)N(C)C;KGCSARYPDVVTPT-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235556;MM235556;C#CC#CC(C)(C)C(C)C;CIRVDANUBYTJHL-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235557;MM235557;C#CC#CC(C)(C)C(C)N;FUFYNROEUMOMJJ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235558;MM235558;C#CCN1CC(O)C1;WIWOVFZQFLOGAB-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235559;MM235559;C#CC#CC(C)(C)C(C)F;QWSFUMOXUJYGTH-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235560;MM235560;C#CC#CC(C)(N)C(C)C;RTWMTLRYPNFLJR-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235561;MM235561;C#CC#CC(C)(O)C(C)C;DYBONUMMLUPTJX-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235562;MM235562;C#CC#CC(C)(F)C(C)C;OOPBBXLOCKDKHM-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235563;MM235563;C#CC#CC(C)(C)N(C)C;UJDYYQRVTQCWFY-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235564;MM235564;C=C(C)C(C)(C)C#CCC;KCPRPFOPEBFGSN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235565;MM235565;C=C(C)C(C)(C)C#CCN;PQSQFCNBFHPSGA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235566;MM235566;C=C(C)C(C)(C)C#CCO;TVLQSWYKGYPHJN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235567;MM235567;C=C(C)C(C)(C)C#CCF;IHRLOBLBMTVUDZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235568;MM235568;CCC#CC(C)(C)C(C)=O;XEWRHJSPZGFFLS-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235569;MM235569;CC(=O)C(C)(C)C#CCO;HDQWDFBCTBGHFZ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235570;MM235570;CC(=O)C(C)(C)C#CCF;SYJQYTYQYDLZNI-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235571;MM235571;CCC#CC(C)(C)C(=N)N;BNZXPIGJAXUMHX-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235572;MM235572;CC(C)(C#CCN)C(=N)N;UKEDTVZRVOGSFK-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235573;MM235573;CC(C)(C#CCO)C(=N)N;GGFIQJAXXWCDFQ-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235574;MM235574;CC(C)(C#CCF)C(=N)N;SYFWSBSONXJYOR-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235575;MM235575;CCC#CC(C)(C)C(N)=O;CVPKWKLKESNHBC-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235576;MM235576;CC(C)(C#CCF)C(N)=O;WTCGEMKUPHMXKG-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235577;MM235577;CCC#CC(C)(C)C(=O)O;NHSFIWLODKDWAJ-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235578;MM235578;CC(C)(C#CCF)C(=O)O;PNTRMCWWTWFMFZ-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235579;MM235579;C=C(F)C(C)(C)C#CCC;HVJQISMKBZRZMQ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235580;MM235580;C=C(F)C(C)(C)C#CCN;BBLVGZVJCMHXBA-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235581;MM235581;C=C(F)C(C)(C)C#CCO;QESWCZIXOMTLBZ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235582;MM235582;C=C(C)C(C)(N)C#CCC;XICJYGKTUVKCPG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235583;MM235583;C=C(C)C(C)(N)C#CCF;RGORTBCEUKEMQT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235584;MM235584;CC(N)(C#CCN)C(=N)N;XRDAECONSYLTSB-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235585;MM235585;CC(N)(C#CCO)C(=N)N;JBQRPKJLCDFJDD-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235586;MM235586;CC(N)(C#CCN)C(N)=O;IHJHPODCLOZGFY-UHFFFAOYSA-N;141.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235587;MM235587;C=C(C)C(C)(O)C#CCC;YDQUZESGFHZHRG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235588;MM235588;C=C(C)C(C)(O)C#CCO;CPCWOYLQTAFUCG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235589;MM235589;C=C(C)C(C)(O)C#CCF;DZBAZDMYVRNHRV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235590;MM235590;CCC#CC(C)(O)C(=N)N;QCVNRQRMJLYSJO-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235591;MM235591;CC(O)(C#CCF)C(N)=O;MTTMZPFFJUQQAK-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235592;MM235592;Cc1c(F)c(O)nn1N;VZADZPFJHXAIND-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235593;MM235593;C=C(F)C(C)(O)C#CCC;AVGJEHIMQOYEQI-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235594;MM235594;C=C(C)C(C)(F)C#CCC;RBBMUOHFLIEDCX-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235595;MM235595;C=C(C)C(C)(F)C#CCN;ZQHALDUHBHSLQC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235596;MM235596;C=C(C)C(C)(F)C#CCO;CJYCYNZINBHWID-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235597;MM235597;C=C(C)C(C)(F)C#CCF;ZZPJPDZKOVFDGX-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235598;MM235598;CC(=O)C(C)(F)C#CCF;RTBLZOYEMYDRPF-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235599;MM235599;CCC#CC(C)(F)C(N)=O;DSKKQNNEPGZDAB-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235600;MM235600;C=C(F)C(C)(F)C#CCN;XTICFAFRPZHLSB-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235601;MM235601;C=C(F)C(C)(F)C#CCO;GZBQYBCEFBCPAL-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235602;MM235602;CCC#CC(F)(F)C(=N)N;YRVZWZZDEJGWJW-UHFFFAOYSA-N;146.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235603;MM235603;CC1C(C(C#N)=NO)N1C;SGXRYGJKFWZOFD-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235604;MM235604;C=CC#CC(C)(C)C(=C)C;PMKFLDPXJYGYMD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235605;MM235605;C=C(C)C(C)(C)C#CC=O;AAGLWAHCKMATTM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235606;MM235606;C=C(C)C(C)(C)C#CC#N;VSOWAEXTZMNDNI-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235607;MM235607;CC(=O)C(C)(C)C#CC#N;QEYGWLAPAMZNHB-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235608;MM235608;C=CC#CC(C)(C)C(=N)N;UUKAUWZRPHCOMN-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235609;MM235609;C=CC#CC(C)(C)C(N)=O;CSHOBOTWYAITRE-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235610;MM235610;C=CC#CC(C)(C)C(=O)O;WFWNFZFICPTPPJ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235611;MM235611;CC(C)(C#CC#N)C(=O)O;ZIQDAGWKNKNJJJ-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235612;MM235612;C=CC#CC(C)(C)C(=C)F;ZCGSSRRHHMTLND-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235613;MM235613;C=C(F)C(C)(C)C#CC=O;DXWZCMMNKJPATR-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235614;MM235614;C=C(F)C(C)(C)C#CC#N;YRDQNUXOYPQGHE-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235615;MM235615;C=CC#CC(C)(N)C(=C)C;UHQNRMANLWBWRX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235616;MM235616;C=CC#CC(C)(O)C(=C)C;RPFKMBWRPGZTEL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235617;MM235617;C=C(C)C(C)(O)C#CC=O;DZJMPCKWPLWNAJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235618;MM235618;C=C(C)C(C)(O)C#CC#N;ABZRGZQLMYTKED-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235619;MM235619;CC(=O)C(C)(O)C#CC=O;KGGFDKUEAHFMJA-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235620;MM235620;CC(O)(C#CC=O)C(=N)N;CTDPBNYPHKLORZ-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235621;MM235621;CC(O)(C#CC#N)C(=N)N;MRUBQDWVRQEJFQ-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235622;MM235622;C=CC#CC(C)(O)C(N)=O;LYZKSFDXUSPJIF-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235623;MM235623;C=C(F)C(C)(O)C#CC#N;YQYBYZOIYFDEGJ-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235624;MM235624;C=CC#CC(C)(F)C(=C)C;XSZFDDDPDIWFOU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235625;MM235625;C=C(C)C(C)(F)C#CC=O;HPHVEQZJGYBDDQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235626;MM235626;C=C(C)C(C)(F)C#CC#N;TVNANPNKKCSGCI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235627;MM235627;CC(=O)C(C)(F)C#CC#N;QVBLRYGETUDNBL-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235628;MM235628;CC(F)(C#CC#N)C(N)=O;KKTPRQQQKZLQMO-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235629;MM235629;CC(F)(C#CC#N)C(=O)O;SYADDSULBZSXOP-UHFFFAOYSA-N;141.1;0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235630;MM235630;N#CC#CC(F)(F)C(N)=O;NGONZCYYVYJIKF-UHFFFAOYSA-N;144.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235631;MM235631;Cn1cnc(O)nc1=NO;YQGISGYIJDSXDY-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235632;MM235632;C#CC#CC(C)(C)C(=C)C;YOUZGADEZASIQM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235633;MM235633;C#CC#CC(C)(C)C(C)=O;XSIJLPBMFWEJAR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235634;MM235634;C#CC#CC(C)(C)C(=N)N;RRWHGPYJRYNGMP-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235635;MM235635;C#CC#CC(C)(C)C(N)=O;WUMBVGIMQWENNV-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235636;MM235636;C#CC#CC(C)(C)C(=O)O;MFWYWKVETHNZET-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235637;MM235637;C#CC#CC(C)(C)C(=C)F;LHYDGAVDLDMMFH-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235638;MM235638;C#CC#CC(C)(N)C(=C)C;AYQKZMVVCIJDJS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235639;MM235639;C#CC#CC(C)(O)C(=C)C;ZNWKTBIXADYAFW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235640;MM235640;C#CC#CC(C)(O)C(C)=O;ABPUBQPSOJAUNH-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235641;MM235641;C#CC#CC(C)(F)C(=C)C;IKWBCXKGJGBOQW-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235642;MM235642;C#CC#CC(C)(F)C(C)=O;QOOJALMVMVMEKD-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235643;MM235643;CC(N)CCCCC(F)F;IHQRQIGKLUVEHC-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235644;MM235644;FC(F)CCCCC(F)F;RULDCXGQPSKZMI-UHFFFAOYSA-N;158.14;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235645;MM235645;CC(C)CNCCC(C)O;HOXQQRBRQVQPJZ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235646;MM235646;CC(C)CNCCC(F)F;VPDPFQOKEMXGQM-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235647;MM235647;CC(N)CNCCC(F)F;KQZXBMIIAKCPCL-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235648;MM235648;CC(O)COCCC(F)F;JRPMGHAWXDZKGX-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235649;MM235649;CC(C)NCCCC(F)F;XDXMSOOYXQAXAW-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235650;MM235650;CC(C)NCCNC(C)C;MFIGJRRHGZYPDD-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235651;MM235651;CC(N)COCCN(C)C;OLGBHAGSGDVJIE-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235652;MM235652;CN(C)CCCCN(C)C;VEAZEPMQWHPHAG-UHFFFAOYSA-N;144.26;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235653;MM235653;C#CC(N)(CF)C(N)=O;XDTGGRAAJXYLFL-UHFFFAOYSA-N;130.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235654;MM235654;CNN=CN(O)CC=O;CTYMGASPEWGKKE-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235655;MM235655;N=C(N)CCCCC(F)F;TZJIDPLXYPNIQV-UHFFFAOYSA-N;150.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235656;MM235656;C=C(C)CNCCC(C)C;IQNMCTVITIMIJS-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235657;MM235657;C=C(F)CNCCC(C)N;JWMVZNZBVDUOCS-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235658;MM235658;CC(N)CCOCC(=N)N;GUPCIIPHDSRJLM-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235659;MM235659;CC(=O)COCCC(C)O;JUCOHYDTTQMXLP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235660;MM235660;CC(O)CCOCC(=N)N;QJPIVOPBEBJTLM-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235661;MM235661;CC(O)CCOCC(N)=O;TUUPITFASJHMOY-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235662;MM235662;C=C(C)COCCC(F)F;BAGDDMIJKHHKLJ-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235663;MM235663;C=NN(C)CCC(=O)O;DPKCABGNPJPOCL-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235664;MM235664;C=C(C)CCNCC(C)C;MLWCYGRGVFMEAF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235665;MM235665;C=C(C)CCNCC(C)F;IXQWGPXGXDXTAL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235666;MM235666;CC(C)COCCC(=N)N;NTXLZZWBTZAFHS-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235667;MM235667;COC(C)(C)C=CC(=O)O;PCNMYQJDWGFEDE-UHFFFAOYSA-N;144.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235668;MM235668;CCn1[nH]cc(C#N)c1=O;QMTMUNWBWAEDNW-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235669;MM235669;CC(C)CCCNC(N)=O;SFJVFGFIVNSLAT-UHFFFAOYSA-N;144.22;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235670;MM235670;CC(=N)NCCCC(C)N;DHJASPILKKVWBE-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235671;MM235671;CC(=N)NCCCC(C)O;DTGIJKBFOOBYJK-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235672;MM235672;CC(O)CCCNC(=N)N;KOYZLNJEZGVNAA-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235673;MM235673;CC(=O)NCCCC(C)F;OCMHWVQEGHQBDL-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235674;MM235674;CC(=O)NCCCC(F)F;BDATWSBYYQDBBO-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235675;MM235675;CC(=N)NNCCC(C)C;CCWXPPJDKUXSJE-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235676;MM235676;C#CCN(O)C=NNC;WHGJMOGCKYOMSS-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235677;MM235677;CC(C)CCNNC(=N)N;STORVMCNUKTVTO-UHFFFAOYSA-N;144.22;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235678;MM235678;CC(=N)NNCCC(C)F;PGAROPSLKHTZHY-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235679;MM235679;O=CN1C=NC(CO)C1;KGUZPLKOXVUFFX-UHFFFAOYSA-N;128.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235680;MM235680;CC(=N)NOCCC(C)F;BAYJTUDRKRZTIV-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235681;MM235681;CC(F)CCONC(=N)N;XUXRLPNIZHMDDM-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235682;MM235682;N=C(N)NOCCC(F)F;TUJDATDDSMJMFT-UHFFFAOYSA-N;153.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235683;MM235683;NC(=O)NOCCC(F)F;FROUGBJNUJIVPB-UHFFFAOYSA-N;154.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235684;MM235684;CC(C)CCCOC(N)=O;UYAOJENGFCXIHT-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235685;MM235685;CC(=O)OCCCC(C)O;LXSKINVLPUHYGH-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235686;MM235686;CC(O)CCCOC(=N)N;FTXNLNSGRZBFIA-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235687;MM235687;CC(C)COCOC(N)=O;XXRMGNQGBMBYKU-UHFFFAOYSA-N;147.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235688;MM235688;CC(N)COCOC(=N)N;BMLDYJZPNUEDBA-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235689;MM235689;C=C(C)OCOCC(C)O;SRQAEPCILSTMAS-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235690;MM235690;CC(=O)OCOCC(C)O;DDQCSGOIHRZZFX-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235691;MM235691;CC(O)COCOC(=N)N;YPJUTRXNHZDTKV-UHFFFAOYSA-N;148.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235692;MM235692;CC(O)COCOC(N)=O;GSFBDLZCSZFEAQ-UHFFFAOYSA-N;149.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235693;MM235693;CC(F)COCOC(=N)N;KTTJNKWERDZWCN-UHFFFAOYSA-N;150.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235694;MM235694;CC(F)COCOC(N)=O;NYYAVOXDYZHIIL-UHFFFAOYSA-N;151.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235695;MM235695;CC(=O)OCOCC(F)F;NMMRXTKCOJGWQT-UHFFFAOYSA-N;154.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235696;MM235696;CC(C)NCCCC(N)=O;BKKJPAFWIVXTOF-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235697;MM235697;CC(=O)NCCNC(C)C;CNBPAZHVFWTPQH-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235698;MM235698;CC(C)NCCNC(=N)N;LRSRERMXAPCOST-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235699;MM235699;CC(=O)OCCNC(C)C;MQNQUCSOQMODAD-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235700;MM235700;CC(C)NCCOC(=N)N;PYSUCUMCNHIHCY-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235701;MM235701;CC(C)NCCOC(N)=O;JDZLAVQTFFUPLI-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235702;MM235702;CC(C)OCCCC(=N)N;BRDORVYASXZVMQ-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235703;MM235703;CC(C)OCOCC(=N)N;YJSOYPYVASYYHU-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235704;MM235704;CC(C)OCOCC(N)=O;NDLVSRVUNRHHEN-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235705;MM235705;CC(=N)NCCOC(C)C;AXIFCUPCHROETB-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235706;MM235706;CC(C)OCCNC(N)=O;BEWVZKCMEMXARG-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235707;MM235707;CC(C)OCCOC(=N)N;JAYRYASBUABVOM-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235708;MM235708;CN(C)CCCCC(N)=O;XVRUJWWPBQJJMF-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235709;MM235709;C=C(C)CNCCN(C)C;GXFCJDZWMPPFMF-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235710;MM235710;CN(C)CCNCC(=N)N;RAPJYEUEDYLUKK-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235711;MM235711;CN(C)CCOCC(=N)N;SXPXQZKMIAEXGM-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235712;MM235712;CN(C)CCOCC(N)=O;ILISJYDKHMRJLS-UHFFFAOYSA-N;146.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235713;MM235713;C=C(F)COCCN(C)C;VGGXVVFBFPULSW-UHFFFAOYSA-N;147.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235714;MM235714;CC(=N)NNCCN(C)C;DJCKNIKCVQCOCV-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235715;MM235715;CN(C)CCNNC(=N)N;LAURAZONKGUQCZ-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235716;MM235716;CN(C)CCONC(=N)N;KNQPXDANEXBCMV-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235717;MM235717;CN(C)CCCOC(N)=O;YOLVJGMWKAOAOW-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235718;MM235718;OCC(=CC1CN1)CO;SOVILSRDMHUNSU-UHFFFAOYSA-N;129.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235719;MM235719;CC(=O)CCCCC(C)=O;NZGDDIUIXYFYFO-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235720;MM235720;CC(CO)N1CC1CO;JSWAHWGMLHANHK-UHFFFAOYSA-N;131.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235721;MM235721;O=c1ncn(O)c(O)c1F;UAAVFLQXVXIMQX-UHFFFAOYSA-N;146.08;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235722;MM235722;CN(C)N=CN(O)CC=O;OOPOZENKWVXARR-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235723;MM235723;C=C(C)CCNCC(=N)N;NJMGIJNFIZWRPC-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235724;MM235724;C=C(C)CCNCC(N)=O;JMYQIQXHLLGKPC-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235725;MM235725;C=C(F)CNCCC(=N)N;MCBFISFYVDOEQQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235726;MM235726;C=C(C)CNCCC(N)=O;BHUQAQTULGRPPF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235727;MM235727;C=C(C)CNCCC(=C)F;JWZQDUQVUDWLFJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235728;MM235728;C=C(C)CCOCC(=N)N;QZLZGSWSMONVGT-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235729;MM235729;CC(=O)CCOCC(=N)N;JQPOTURYRQVUIJ-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235730;MM235730;C=C(C)COCCC(=N)N;GJHISTAJRDAIJY-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235731;MM235731;N=C(N)CCOCC(=N)N;MXASTYAUOIAWRD-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235732;MM235732;NC(=O)CCOCC(N)=O;FKHIGIQCXYCTMQ-UHFFFAOYSA-N;146.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235733;MM235733;C=C(F)COCCC(N)=O;AEJZEQCCODRRKG-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235734;MM235734;Cc1nc(C#N)oc1O;GCPSIVZELPHGMT-UHFFFAOYSA-N;124.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235735;MM235735;C=C(F)CCOCC(N)=O;VWVSSADDFHTCLA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235736;MM235736;N#CC(CC(=O)CO)=NO;CYNFYOCXXWRPSD-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235737;MM235737;CC(=N)NCCCC(=N)N;IJQJJMIJMMVVGH-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235738;MM235738;CC(=O)NCCCC(=N)N;VOPCSKGUWXJGDD-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235739;MM235739;CC(=N)NCCCC(N)=O;CIXJOWLZVLYTES-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235740;MM235740;CC(=CC(=O)O)CC(C)O;IIOMDVQZNGJQQS-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235741;MM235741;C=C(F)CCCNC(C)=O;IRZPIACGNIRUNV-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235742;MM235742;CON=C(CC(C)O)NO;UAVHZTBLTMOLQT-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235743;MM235743;CNC(=NC=N)OC(N)=O;RTSDMMZYXPZAPJ-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235744;MM235744;C=C(F)CCNNC(C)=N;OGCTWFBRXYCIHZ-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235745;MM235745;C=C(C)CCONC(C)=N;LOWPZJQAEOGXPX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235746;MM235746;CC(=N)NOCCC(C)=O;QMROAQZPIMHUGC-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235747;MM235747;N=C(N)CCONC(=N)N;YEGPJVKAADUZML-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235748;MM235748;N#CC#CCC(CF)=NO;DSOHZQHZOALALA-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235749;MM235749;C=C(F)CCONC(C)=N;TZWWPMOGVIYNKV-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235750;MM235750;C=C(F)CCONC(C)=O;VLCWMPOGAATFJD-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235751;MM235751;C=C(F)CCONC(=N)N;NAVMRVXKRGXSSA-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235752;MM235752;C=C(C)CCCOC(N)=O;ZTRMEVWQGJPQTP-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235753;MM235753;CC(=O)CCCOC(N)=O;UWFOIFNWYIOWKH-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235754;MM235754;CC(=O)OCCCC(=N)N;ZRMBCGRVYWBXNJ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235755;MM235755;N=C(N)CCCOC(N)=O;LEIZCXRGZDJNHX-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235756;MM235756;C=NN(CC(N)=O)C(N)=O;KBTOOXWCOFSCJC-UHFFFAOYSA-N;144.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235757;MM235757;C=C(F)CCCOC(N)=O;NSDVHAXTQFIQLD-UHFFFAOYSA-N;147.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235758;MM235758;C=C(C)OCOCC(=N)N;BJJSHJRENACOQL-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235759;MM235759;CC(=O)OCOCC(=N)N;MPEWIAYVFBKVOR-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235760;MM235760;N=C(N)COCOC(=N)N;PXLZSKMESGCYFG-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235761;MM235761;C=C(C)OCOCC(N)=O;JDXVUCKMHDFREZ-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235762;MM235762;CC(=O)OCOCC(N)=O;XOGOGTOLKVNSMN-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235763;MM235763;N=C(N)OCOCC(N)=O;JWVHJTQIYULTKD-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235764;MM235764;NC(=O)COCOC(N)=O;RIAGBTUPWIUYER-UHFFFAOYSA-N;148.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235765;MM235765;C=Cn1nnc(O)c1N;MVULCXVWRSRMIU-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235766;MM235766;CN=c1onc(O)n1O;UMJBJUUQLUXADZ-UHFFFAOYSA-N;131.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235767;MM235767;C=C(F)COCOC(=N)N;ACYFPICVKIXUJG-UHFFFAOYSA-N;148.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235768;MM235768;C=C(C)OCCNC(C)=O;HETJDWICHGVOKA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235769;MM235769;CC(=O)NCCOC(C)=O;SKPWGBMKZNVXFF-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235770;MM235770;C=C(C)OCCNC(=N)N;JCXJNJJXRKHJJH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235771;MM235771;C=C(C)OCCNC(N)=O;ZKFJGFDWWALCHF-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235772;MM235772;C=C(C)OCONC(=N)N;LMRQNOAZVVXILY-UHFFFAOYSA-N;145.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235773;MM235773;CC(=O)OCONC(=N)N;QINKHYXQEAFDMR-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235774;MM235774;N=C(N)NOCOC(=N)N;YQELZUAKKRNJMP-UHFFFAOYSA-N;147.14;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235775;MM235775;N=C(N)NOCOC(N)=O;JJSLKPZQVVTTQB-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235776;MM235776;C=C(C)OCONC(N)=O;NZJKCGGRAJOJMW-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235777;MM235777;CC(=O)OCONC(N)=O;NBARHUFXWHYKLN-UHFFFAOYSA-N;148.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235778;MM235778;N=C(N)OCONC(N)=O;UOIJHJSNQSDXDM-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235779;MM235779;NC(=O)NOCOC(N)=O;OOJOPAGCZBFFMI-UHFFFAOYSA-N;149.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235780;MM235780;C=C(C)OCCOC(N)=O;ZERIOBCGFOXVFS-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235781;MM235781;NC(=O)OCCOC(N)=O;FONCADNOZFBHIB-UHFFFAOYSA-N;148.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235782;MM235782;CC(N)CC=CCC(C)N;BWKFMUWZKRDNBX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235783;MM235783;CC(N)CC=CCC(C)O;OZKVBVFTGYWXCU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235784;MM235784;CC(N)CC=CCC(F)F;RUSOUZIJTIGZOV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235785;MM235785;C#CCN=CN(O)CCO;SPJFCPHMJISHRO-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235786;MM235786;CC(F)CC=CCC(F)F;MKTUFHHSLIWRAJ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235787;MM235787;FC(F)CC=CCC(F)F;OMZSBXPKYMKPNY-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235788;MM235788;CC(N)CC=NNC(C)C;ATXXQCGXRFLMCI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235789;MM235789;CCNN=CN(O)CC=O;BGPBHCTVANYAMM-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235790;MM235790;CC(N)CC=NOC(C)C;JSYQRPKCMKQBOM-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235791;MM235791;C#CC=C(C=NN)C(C)O;UBHNOEUWWRHDET-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235792;MM235792;CC(C)NC=NNC(C)C;QINHBLZQEVRCIJ-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235793;MM235793;CC(C)ON=CNN(C)C;DQJSSTQRMWEAPF-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235794;MM235794;CN(C)CC=CCN(C)C;KUEDAAUECWBMLW-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235795;MM235795;C=C(F)CC=CCC(C)N;FDZMACKUEOUOLY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235796;MM235796;CC1CC1(O)CC1CN1C;JIHZFIRABGTMBB-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235797;MM235797;CC(F)CC=CCC(N)=O;STBYKZXHSGFUMA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235798;MM235798;CC(C)CC=CNC(=N)N;TVRLQRSQQWYDFF-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235799;MM235799;CC(=N)NC=CCC(C)N;LVBXDSXEMJNXSP-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235800;MM235800;CC(=O)NC=CCC(C)N;AECCOSOVNAWONW-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235801;MM235801;CC(N)CC=CNC(=N)N;ZWNGJNFAHUAMGD-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235802;MM235802;CC(O)CC=CNC(=N)N;DRAHJNKBKHLIBI-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235803;MM235803;CC(O)CC=CNC(N)=O;QHYAKAKIHYEDEP-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235804;MM235804;CC(=O)NC=CCC(F)F;NKKQMVGJRVYBQQ-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235805;MM235805;CC(C)CC=NNC(=N)N;IMNPZBQJTANFKA-UHFFFAOYSA-N;142.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235806;MM235806;CC(N)CC=NNC(=N)N;XVZSOGJUHGAGFJ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235807;MM235807;CC(F)CC=NNC(N)=O;VMQQAGBDSVPACE-UHFFFAOYSA-N;147.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235808;MM235808;NC(=O)NN=CCC(F)F;JFMJROHKFRBVKS-UHFFFAOYSA-N;151.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235809;MM235809;CC(=O)NC=NCC(C)C;VIZKMZZYXWNCAQ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235810;MM235810;CC(=N)NC=NCC(C)F;DVRMTLFHJKYFJO-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235811;MM235811;CC(F)CN=CNC(=N)N;GUBCBYQNVRJOJJ-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235812;MM235812;CCC(C)(CO)NCC#N;QYTJFOSAGBDLCU-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235813;MM235813;CC(=N)NC=NCC(F)F;SGVGRJZKDWVCIN-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235814;MM235814;C=CC(CO)N=C(N)C=O;KOIDVEJTIXHYDL-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235815;MM235815;CC(N)CC=NOC(=N)N;ZOOCFSHZLBUPNW-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235816;MM235816;CC(N)CC=NOC(N)=O;VJDVKOBVVMDQCF-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235817;MM235817;C#CC(CO)NCC(F)F;KAVHPFVNPCHMII-UHFFFAOYSA-N;149.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235818;MM235818;CC(C)NN=CCC(=N)N;AGWVVNXSRJPMOY-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235819;MM235819;CC(=N)NNC=NC(C)C;UYKLEAFJGJSGRT-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235820;MM235820;CC(C)NN=CNC(=N)N;MYGGJQNCZWMFMV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235821;MM235821;C#CC1(C#N)NC1C(C)O;CXXRQTULIUSGAH-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235822;MM235822;Nn1[nH]c(=O)oc(=O)c1=O;WSKNILUIGZTLSS-UHFFFAOYSA-N;145.07;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235823;MM235823;CC(C)OC=NNC(=N)N;SJFQIHBSUQXUCM-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235824;MM235824;CC(C)OC=NNC(N)=O;QPBLTRMJKXAAGL-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235825;MM235825;CC(=N)NC=NOC(C)C;FPQMKKWUSAYURH-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235826;MM235826;CC(C)ON=CNC(=N)N;DQTMKROVMNKTIQ-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235827;MM235827;CC(C)ON=CNC(N)=O;HPUWMNXNHKRJNX-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235828;MM235828;CC(=O)ON=COC(C)C;KRLYPGRTIFIAEC-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235829;MM235829;CN(C)CC=CCC(N)=O;MHUYNNUFYNILAG-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235830;MM235830;CC(=N)NC=CCN(C)C;HSSUDMCFHNPCDE-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235831;MM235831;CC(=O)OC=CCN(C)C;NCQWJERMIFFTIE-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235832;MM235832;C=C(C)CC=CCC(=N)N;QSBIQJFINXZCAH-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235833;MM235833;CC(=O)CC=CCC(C)=O;LGASENNIUUVNEB-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235834;MM235834;C=C(F)CC=CCC(=N)N;HYSTWYQHFNHVAA-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235835;MM235835;C=C(C)CC=CNC(N)=O;PEWMAFQZEVWKSO-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235836;MM235836;CC(=O)CC=CNC(C)=O;LRZZQJIMBHZBCX-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235837;MM235837;CC(=O)CC=CNC(=N)N;HZOIBZDESXQMBC-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235838;MM235838;CC(=O)CC=CNC(N)=O;NLGRGRCTMNIQJH-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235839;MM235839;C=C(C)CC=NNC(N)=O;FTFQAAHIWVLMJO-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235840;MM235840;CC(=O)CC=NNC(C)=O;ZWFFLVNUSPWJPT-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235841;MM235841;N=C(N)CC=NNC(=N)N;DIYJECHKJQAYAU-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235842;MM235842;N=C(N)CC=NNC(N)=O;HLLIWPDNRYOJNX-UHFFFAOYSA-N;143.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235843;MM235843;CC(=O)NN=CCC(N)=O;INZUQFXXZFKNNJ-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235844;MM235844;N=C(N)NN=CCC(N)=O;DGZOISURZQLOLK-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235845;MM235845;NC(=O)CC=NNC(N)=O;GAAIEFLYQXWYOA-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235846;MM235846;C=C(F)CC=NNC(N)=O;LOCNPKWRXMUDQN-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235847;MM235847;CC(=O)CN=CNC(=N)N;ORPCGJFIHRIGAL-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235848;MM235848;CC(=O)CN=CNC(N)=O;SPIQEWVHVAQCNL-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235849;MM235849;NN=c1ncc(O)nn1O;GAJBPJBHEZOOGL-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235850;MM235850;C=C(F)CN=CNC(C)=O;VJVJQKBLLXKGGD-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235851;MM235851;C=C(F)CN=CNC(=N)N;QBVWGFFFABDSAO-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235852;MM235852;CC(=O)CC=COC(C)=O;HIWQWDBLMZGHOJ-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235853;MM235853;CNN=c1[nH]oc(=NN)o1;FEGSYNUDMBKWTL-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235854;MM235854;N=C(N)CC=NOC(=N)N;UEICZLUGUACEDN-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235855;MM235855;N=C(N)CC=NOC(N)=O;SGSBMVDHPZQHLU-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235856;MM235856;NC(=O)CC=NOC(N)=O;ASFQADSIGAXXBU-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235857;MM235857;C=C(F)CC=NOC(N)=O;GIKFIZJVNYJGMJ-UHFFFAOYSA-N;146.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235858;MM235858;N=C(N)NC=CNC(=N)N;KMTOCFYNXKMQBM-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235859;MM235859;CC(=N)NC=NNC(=N)N;NEJWLPHANKSBER-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235860;MM235860;CC(=N)NC=NNC(N)=O;KKTPZSYWIUQPHN-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235861;MM235861;CC(=O)NC=NNC(=N)N;YDOMUPCAFIEOFG-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235862;MM235862;CC(=O)NC=NNC(N)=O;XXMZEYBEEXUORY-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235863;MM235863;N=C(N)NC=NNC(=N)N;MGBPHCRLPQVQKX-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235864;MM235864;N=C(N)NC=NNC(N)=O;ULUYHNURHJWJQV-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235865;MM235865;N=C(N)NN=CNC(N)=O;CWFJDLPJIAUIRY-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235866;MM235866;CC(=N)NC=COC(C)=O;UNBNEKPBLGTBOL-UHFFFAOYSA-N;142.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235867;MM235867;CC(=O)OC=CNC(=N)N;RECRJOCUZIDAJH-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235868;MM235868;C=C(C)OC=CNC(N)=O;YRAULQYBNDARTN-UHFFFAOYSA-N;142.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235869;MM235869;CC(=N)NC=NOC(=N)N;JZWLAQHLTLVNGN-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235870;MM235870;CC(=N)NC=NOC(N)=O;YXXXGWPEMFEGRJ-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235871;MM235871;N=C(N)NC=NOC(=N)N;IJJGPVLEFIHWEV-UHFFFAOYSA-N;144.14;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235872;MM235872;N=C(N)NC=NOC(N)=O;DWMFCCRQTUVUHS-UHFFFAOYSA-N;145.12;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235873;MM235873;C=C(C)OC=NNC(=N)N;GWIFBWPZENZHAP-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235874;MM235874;N=C(N)NN=COC(N)=O;UUAURPUTXHUYPO-UHFFFAOYSA-N;145.12;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235875;MM235875;C=C(C)OC=NNC(N)=O;AVHCBKXVZWQWFZ-UHFFFAOYSA-N;143.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235876;MM235876;CC(=O)OC=COC(C)=O;UWIKQJCVLSOKTO-UHFFFAOYSA-N;144.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235877;MM235877;C=C(C)OC=NOC(C)=O;KDSIHJVBZAFJBQ-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235878;MM235878;CC(=O)ON=COC(N)=O;SUOUJJNREGLPLU-UHFFFAOYSA-N;146.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235879;MM235879;CN(C)CC#CCN(C)C;FFDFQBBNDKGBGI-UHFFFAOYSA-N;140.23;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235880;MM235880;CC(N)CC#CCC(=N)N;NRRWEAOYSKGYCA-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235881;MM235881;CC(N)CC#CCC(N)=O;QVWDPMBNLGIXBV-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235882;MM235882;CC(=O)CC#CCC(C)O;XXQXCACXTZTFEM-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235883;MM235883;CN(C)CC#CCC(=N)N;GIGPNPQJRMXBOI-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235884;MM235884;C=C(C)CC#CCC(N)=O;SHOGIXHSPYLERQ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235885;MM235885;N=C(N)CC#CCC(=N)N;GBXUMIQNTQNLCC-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235886;MM235886;C#Cc1[nH]nc(NC)c1O;NBLQOBIWPVILAT-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235887;MM235887;CC(N)CCC=CC(F)F;OTKHVFUESIVYHP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235888;MM235888;CC(N)C=CCCC(C)O;QIJPPDNWWMJFPI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235889;MM235889;C#CC1(C#C)NC1C(C)O;HHPPXIVQOKVXDT-UHFFFAOYSA-N;135.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235890;MM235890;C=CC1(C#N)CC(O)CN1;IDWCKPYEMGJUMS-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235891;MM235891;CC(N)C=CCCC(F)F;PYBGEZLKZCXPBR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235892;MM235892;C=CC1CN1C(C)(C)CO;BHTKHHHZHHWFET-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235893;MM235893;CC(C)C=NNCC(C)N;RUPXESFRXASILK-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235894;MM235894;CC(N)C=NNCC(C)N;RJRPPIWNFCXFOE-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235895;MM235895;CC(N)C=COCC(F)F;MGVWFMMSYYWWDY-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235896;MM235896;CC(N)C=NOCC(C)C;MWSUEHGGHPUNSL-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235897;MM235897;CC(C)C=NOCC(C)N;XCBQSPFRTHJVAG-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235898;MM235898;CC(N)CON=CC(F)F;BBUCOUZNIXIXND-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235899;MM235899;CC(C)(CO)N1CC1C#N;OEPKTDCAOFFQIP-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235900;MM235900;C#CC1CN1C(C)(C)CO;UMDLLQCSSPKGDT-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235901;MM235901;C#CC(F)C(=O)N(N)CC;YOJZIDHQHPLYKW-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235902;MM235902;CC(N)CCN=CN(C)C;DOZDUXLUEJQPKW-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235903;MM235903;CC(O)CCN=CN(C)N;OZSMAUAUJDEGRK-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235904;MM235904;CC(N)CNN=CN(C)O;BPWXNUZLYRFRFX-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235905;MM235905;CC(O)CNN=CN(C)C;UDCFRPYVEJUAGS-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235906;MM235906;CC(N)CON=CN(C)O;UOBPHIUCLQGOAQ-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235907;MM235907;C=CN(N)C(=O)NCCO;FXKLATDBCOAJFX-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235908;MM235908;N#CCNC(=N)C(F)C#N;PDTFMSHPAWOHHF-UHFFFAOYSA-N;140.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235909;MM235909;OCCN=C(C=CF)NO;QCCHSXISHQWMAS-UHFFFAOYSA-N;148.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235910;MM235910;CNC(=O)N(C=O)N(C)C;UAQUUYQIFUODTP-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235911;MM235911;N=CN(C(=N)CF)C(N)=O;ALXZZRZVCIXNQP-UHFFFAOYSA-N;146.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235912;MM235912;CN(C)N=COCC(F)F;DUHYAVVPLIVZCA-UHFFFAOYSA-N;152.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235913;MM235913;CC(N)C=CCCN(C)C;XWBSEEOEZYMFBV-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235914;MM235914;CN(C)CCC=NN(C)C;BOWVQXQYGCQZTL-UHFFFAOYSA-N;143.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235915;MM235915;C=C(F)C=CCCC(C)N;MSCYWMVARKIREI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235916;MM235916;CC(=O)C=CCCC(C)F;FEGWJZCDYLDWJJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235917;MM235917;Cn1c(CO)cc(=O)n1N;XIPXBCMPUCSJED-UHFFFAOYSA-N;143.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235918;MM235918;Nn1ccc(=O)cc1CO;HKIYQDRDNWAZCY-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235919;MM235919;CC(=O)C=CNCC(F)F;UGTQKFOGRLIOOJ-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235920;MM235920;C=C(C)C=NNCC(C)C;FQLSZIQXCKILCL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235921;MM235921;C=C(C)C=NNCC(C)N;DRBNIXUQQCVBRO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235922;MM235922;CC(N)CNN=CC(=N)N;HXWWVLMMMQUFLQ-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235923;MM235923;CC(N)CNN=CC(N)=O;FZNUENXSUHKXKS-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235924;MM235924;O=CC(=NNCCO)NO;AVJNBHCTHCGONR-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235925;MM235925;C=C(C)C=NNCC(C)F;SXHUKYZFXCYUAW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235926;MM235926;CC(F)CNN=CC(=N)N;YDXLNWMLUYRWPN-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235927;MM235927;C=NNCC=C(CO)CO;QGXXXTNJINJPOF-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235928;MM235928;CNC(=NNCC#N)NO;GCQADZKRZMLJDR-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235929;MM235929;CC(C)COC=CC(=N)N;KYKNWLHIKYWNIA-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235930;MM235930;CC(N)COC=CC(=N)N;QAEURDIEVVDLAU-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235931;MM235931;CC(=O)C=COCC(C)O;WPTWEZKVRQKKOY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235932;MM235932;CC(O)COC=CC(=N)N;UJDYMQPNQIKJLM-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235933;MM235933;NN=CCC=C(CO)CO;YFTJPAPHPHDBIA-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235934;MM235934;N=C(N)C=COCC(F)F;PLQIOKWHBZJZCT-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235935;MM235935;CC#Cc1[nH]nc(N)c1O;VCLZMDRCBMZBHY-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235936;MM235936;CC1NC1C=C(CO)CO;KBMHTGDVUCQJSN-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235937;MM235937;CC(O)CON=CC(=N)N;SFXJSHALBFKALU-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235938;MM235938;CC#CC1=NC(=NN)CN1;YSJTXXVPJXVINU-UHFFFAOYSA-N;136.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235939;MM235939;C=CCc1cc(CC)n[nH]1;LBSNRAFXLZUYDA-UHFFFAOYSA-N;136.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235940;MM235940;C#CCN(O)C=NN1CC1;SATNWVKSCSLALX-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235941;MM235941;C=C(C)C=NOCC(F)F;RERAIZWAJBZQMD-UHFFFAOYSA-N;149.14;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235942;MM235942;C=CC1CN1CC1(O)CC1;CJHDSXJYESKBHM-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235943;MM235943;N=C(N)C=NOCC(F)F;NLQJPDZYHFENDE-UHFFFAOYSA-N;151.12;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235944;MM235944;CNc1ccc(CO)n1N;DDTUCOOFCYAKTJ-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235945;MM235945;CC(=O)C=CCCN(C)C;DWDSXOSRNUFADX-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235946;MM235946;CC(C)C=CCCC(=N)N;ASSQXXAJVUCZJC-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235947;MM235947;CC(F)C=CCCC(=N)N;QCHQXYDFFWIBPP-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235948;MM235948;C#CC(CO)C1NC1CO;ZCOIPIZHKSKBSY-UHFFFAOYSA-N;141.17;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235949;MM235949;CC(N)C=CCCC(N)=O;YGSZPNKDLBYNNN-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235950;MM235950;O=CN1C=NC(CO)CN1;SKCQNWQHGAPJQD-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235951;MM235951;NC(=O)N(N)C=CF;JXXIUUXABIVKPT-UHFFFAOYSA-N;119.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235952;MM235952;C=C(C)CNN=CC(C)C;JZUQCURASKPCEJ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235953;MM235953;C=NN1CC1C(C)O;GTXRLRIIIADXQQ-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235954;MM235954;CC1(C#N)CC(O)CN1;NUNDYCHVSJJEGX-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235955;MM235955;CC=CC(O)CC=NN;VXXOIRSTTGJPPB-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235956;MM235956;CC(F)C=NNCC(=N)N;JWWSYMIRROIXNO-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235957;MM235957;N=CN=CN(O)CC=O;OVNWEJNQALCHCC-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235958;MM235958;N=C(NC=CF)C(N)=O;HTKMPBPPZVEREV-UHFFFAOYSA-N;131.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235959;MM235959;CC(=O)COC=CC(C)O;QBAZWJFOGCIFFO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235960;MM235960;CC(C)C=COCC(=N)N;MWWXUEVAPHSBQX-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235961;MM235961;CC(O)C=COCC(=N)N;QKFXJWBLGLKEKY-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235962;MM235962;CC(C)C=COCC(N)=O;MHEKXOYWOWATLF-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235963;MM235963;Nn1oc(=NO)[nH]c1=O;WZELJWOOZJVXQN-UHFFFAOYSA-N;132.08;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235964;MM235964;N#CCNCC1(O)CC1;KTJAJLNKPVTFDQ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235965;MM235965;ON=c1ncn(O)[nH]1;UKUCMPFIOFIXOQ-UHFFFAOYSA-N;116.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235966;MM235966;CC(=N)NCC=CC(C)C;KREUMROYJUICMP-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235967;MM235967;CC(=N)NCC=CC(C)O;XWERJIZGRLHBCQ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235968;MM235968;CON=C(CF)N(C)O;PNGTXIGSZRLIOP-UHFFFAOYSA-N;136.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235969;MM235969;CC(=O)NCC=CC(C)O;UKFXRSQHEHMIDI-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235970;MM235970;N=C(N)NCC=CC(F)F;XWYJJKPYKFASFT-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235971;MM235971;CC(C)C=CCOC(=N)N;BBGWPEQPEYOVGX-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235972;MM235972;CC(N)C=CCOC(=N)N;ORHPEYFCJJVYQK-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235973;MM235973;CC(F)C=CCOC(=N)N;ZBNFWKXJXQTEOP-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235974;MM235974;CC(C)C=CCOC(N)=O;SPPCEKILHUFWIV-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235975;MM235975;CN(C)C=NCCC(=N)N;CBMOUDVXLIWWFF-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235976;MM235976;CC(=O)CNN=CN(C)C;YJAWPLYQOOXBIP-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235977;MM235977;CN(N)C=NNCC(=N)N;ZQUBPJLLWLYIJH-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235978;MM235978;CN(O)C=NNCC(=N)N;IEEYYPJDABANHP-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235979;MM235979;CON(C(C)=N)C(N)=O;UQNMINSBTPAMOK-UHFFFAOYSA-N;131.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235980;MM235980;CN(O)C=NOCC(=N)N;GLFMZGUTNWHAST-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235981;MM235981;C=NN1C(C)C1C(C)O;BGLAJZXNQXQBHK-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235982;MM235982;C=NN(C)CC=CC(=O)O;OJWBPGANIDECMZ-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235983;MM235983;N=c1[nH]nc(N)c(=NN)o1;GLTBAHOUIJAJIX-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235984;MM235984;CC=NN1CC1C(C)O;DZLJHFWVIZJWSQ-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235985;MM235985;CN(C)N=CCCC(=N)N;ZNOFQDCBFXTCHM-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235986;MM235986;NNc1cc(CF)[nH]n1;LCISRCGXMUPGMB-UHFFFAOYSA-N;130.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235987;MM235987;CN(C)N=COCC(=N)N;OACLAFWJCQOBGB-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235988;MM235988;NC(=O)N(N)CCC(F)F;MNOMQFACPOACOD-UHFFFAOYSA-N;153.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235989;MM235989;N=C(N)CCC=CC(N)=O;UVXKNSMRHYEQDA-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235990;MM235990;CN(NCC(F)F)C(N)=O;XBWRGGDMKITTSX-UHFFFAOYSA-N;153.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235991;MM235991;CC(O)CC(=O)C(=N)NO;VCJZTOCZXZPXER-UHFFFAOYSA-N;146.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235992;MM235992;N=C(N)C=CCCC(N)=O;CDVZBPASZMIFEK-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235993;MM235993;C=C(F)CCC=CC(=N)N;FSVVPMVYZORYBJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235994;MM235994;CNN=C(CC(C)O)NO;MTNGKKLGYKDJFF-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235995;MM235995;CC(=O)C=CNCC(C)=O;IHKXMAQVZJKZNY-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235996;MM235996;C=C(C)C=NNCC(=C)C;LBYGYOHXVRRALN-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235997;MM235997;C=C(C)OCC(C)C(=O)O;JXUHXEQTKCBEDO-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235998;MM235998;C=C(F)C=NNCC(=C)C;SBNSHDAHFKBHJX-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM235999;MM235999;CC(=O)CNN=CC(=N)N;UCFBXNUSTINIPY-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236000;MM236000;N=C(N)CNN=CC(N)=O;VDIRZZPPYNRLNR-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236001;MM236001;C=C(F)C=NNCC(=N)N;RSZBSEVJXMRKLN-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236002;MM236002;N=C(N)C=NNCC(N)=O;JVXPYVLFDJXPGH-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236003;MM236003;CC(O)CCON=CCO;PKJNRTUOFPFBKQ-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236004;MM236004;C=CCOCC(C)C(=O)O;ADJOIGFWOSCVPV-UHFFFAOYSA-N;144.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236005;MM236005;O=c1ncn(O)c(O)n1;QDSZGSBDLDZYOA-UHFFFAOYSA-N;129.08;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236006;MM236006;N#CCC=NOCC(N)=O;FQPNVWSDNNGXHD-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236007;MM236007;C=C(C)C=COCC(=N)N;FCPHOFROJCZRQQ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236008;MM236008;N=C(N)C=COCC(=N)N;WKFKHIWPAOQTOF-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236009;MM236009;N=C(N)COC=CC(N)=O;LOMOMNSTIIYLBG-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236010;MM236010;C=C(C)C=COCC(N)=O;RLICNOZGLCIVMA-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236011;MM236011;N=C(N)C=COCC(N)=O;DREGWSMIWHUNPZ-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236012;MM236012;C=NOCON(C)C(N)=O;YQRIJKXNVMSBTP-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236013;MM236013;C=C(F)C=COCC(N)=O;HFCUANIWNOTXIB-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236014;MM236014;NN=CON=C(N)C(N)=O;IBHCUJFLCDKVKX-UHFFFAOYSA-N;145.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236015;MM236015;C=C(C)C=NOCC(=N)N;FSKUSGMXHCCJHJ-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236016;MM236016;N=C(N)C=NOCC(=N)N;HNCYACAQKIIKLD-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236017;MM236017;CC(=CC(=O)O)C(C)(C)O;GJCGXFLYLJPRIH-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236018;MM236018;COCC(=O)N(N)C(N)=O;ZNHPPAAGKRZKRE-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236019;MM236019;CCCC(=CC(=O)O)CO;MLUWYGDXDIOODA-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236020;MM236020;O=CC(=NO)C(O)CF;LCFZTZRKQLFEBW-UHFFFAOYSA-N;135.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236021;MM236021;C=C(C)C=CCNC(N)=O;OCGSZSYRFMXYEI-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236022;MM236022;N=C(N)C=CNNC(=N)N;LHCNPJQPOPQQIS-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236023;MM236023;C=C(C)C=CCOC(=N)N;JWIQSEFMLUVOHC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236024;MM236024;CC(=O)C=CCOC(=N)N;SBQMUMPBQPAPCM-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236025;MM236025;CC(F)C#CCCC(C)N;NKXYAPDWJMSEQH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236026;MM236026;CN(O)C(=N)C(=O)CCO;AMRJHPMPKSJSHH-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236027;MM236027;CC(F)C#CCCC(C)F;ANFQVTKBASPBRR-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236028;MM236028;CC(C)C#CCCC(F)F;XAJOHCQEODQWMB-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236029;MM236029;CC(C)C#CCNC(C)C;FLVFUSAYPRMDQH-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236030;MM236030;CC(F)C#CCNC(C)C;LWVGRDUUYHZHDU-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236031;MM236031;CC(N)CCC#CC(=N)N;YRLXYPNRJLWNOP-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236032;MM236032;C=C(F)C#CCCC(C)N;YKKQDSYBPZSBRI-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236033;MM236033;CCOC(=O)C(=N)N(C)O;MWSLQFVMLXMPBG-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236034;MM236034;CC(=O)C#CCCC(C)F;SISNNCMSJJISMK-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236035;MM236035;N=C(N)C#CCCC(F)F;HLRUWHWWYRVHBH-UHFFFAOYSA-N;146.14;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236036;MM236036;C=C(C)C#CCNC(C)C;BJWAUGRQFVRSCO-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236037;MM236037;CC(=O)C#CCNC(C)C;ZTLGWLNLFOMWSG-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236038;MM236038;CC(=O)C#CCOC(C)C;JNVKABHXGRKQDW-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236039;MM236039;CC(C)OCC#CC(=N)N;OFKCQXCNSLVFDB-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236040;MM236040;CC(C)OCC#CC(N)=O;UGSYEQNLOQSEOI-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236041;MM236041;CC(=O)CCC#CC(C)O;PUCVBVYRESULBS-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236042;MM236042;CC(C)C#CCCC(=N)N;KGOWTZKJBZINGJ-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236043;MM236043;CC(F)C#CCCC(=N)N;IGFIWZHEJQLQLV-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236044;MM236044;CC(C)C#CCCC(N)=O;YSGOFSJGTVLTPV-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236045;MM236045;NC(=O)CCC#CC(F)F;KLERKHJCTLGVTN-UHFFFAOYSA-N;147.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236046;MM236046;CC(=N)NCC#CC(C)C;XVBVXJYCXFGWQF-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236047;MM236047;CC(=O)NCC#CC(C)F;LYXPFWIWGHJPOG-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236048;MM236048;CC(C)C#CCNC(=N)N;SULBCVKBXHPURT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236049;MM236049;CC(F)C#CCNC(=N)N;BENGRDLSHJUROC-UHFFFAOYSA-N;143.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236050;MM236050;CC(C)C#CCNC(N)=O;NNRKQYBBKMJRQW-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236051;MM236051;CC(F)C#CCNC(N)=O;SWHLLQDPGDKTFR-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236052;MM236052;CC(N)C#CCOC(N)=O;FKCDSQOMNKNLKJ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236053;MM236053;C=C(C)CCC#CC(C)=O;AQGVBUUPWYKMFH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236054;MM236054;CC(=O)CCC#CC(N)=O;HEFUBHJXPOZBGE-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236055;MM236055;C=C(C)C#CCCC(=N)N;DJPPUHQZJZDKMG-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236056;MM236056;N=C(N)C#CCCC(=N)N;VGNIUUBFDLZIMO-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236057;MM236057;C=C(F)C#CCCC(=N)N;ZKNBSGGXMUCYOR-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236058;MM236058;C=C(C)C#CCCC(N)=O;YLPDXIWOVKQWJL-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236059;MM236059;CC(=O)C#CCCC(N)=O;NNAHKRXDYSFZFK-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236060;MM236060;C=C(F)C#CCCC(N)=O;ZGCYWHJPHDOGAO-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236061;MM236061;C=C(C)C#CCCC(=O)O;JUQJCYIQYSXADU-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236062;MM236062;Nc1c(O)c(F)nn1O;GQXOTIIFJFVWAN-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236063;MM236063;C=C(C)C#CCNC(C)=N;MKADORWBSNWZRW-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236064;MM236064;C=C(C)C#CCNC(C)=O;QIHWZNJBNIJVEB-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236065;MM236065;CC(=O)NCC#CC(N)=O;PZVAQHPHGJNQRX-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236066;MM236066;N=c1nnnc2[nH][nH]nc1-2;QYQPOGYKUQVHMV-UHFFFAOYSA-N;137.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236067;MM236067;C=C(F)C#CCNC(C)=O;DAHUFYMZFAZZAP-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236068;MM236068;C=C(C)C#CCNC(=N)N;SJIVISRWWZTIHC-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236069;MM236069;CC(=O)C#CCNC(=N)N;QFMXPPKIQGJZMI-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236070;MM236070;CC(=O)C#CCNC(N)=O;ZTRGTIBCTHVKBI-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236071;MM236071;C=C(C)OCC#CC(=N)N;LHYFQTJJCWATPW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236072;MM236072;C=C(C)C#CCOC(=N)N;GJUKFDZKBDAMOW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236073;MM236073;N=C(N)OCC#CC(N)=O;OAXKWHLGEZQSNU-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236074;MM236074;CC(=O)C#CCOC(N)=O;ZIOXLEYIWAZTTQ-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236075;MM236075;NC(=O)OCC#CC(=O)O;GNQYAMMHDPFYDG-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236076;MM236076;CC(C)C=CC=CC(C)N;YXOFZMAFQQPTOS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236077;MM236077;CC(N)C=CC=CC(C)O;XWBPPCFAGKPBGX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236078;MM236078;CC(N)C=CC=CC(C)F;VGXJBYPPVGKEAL-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236079;MM236079;C=COC(=O)C(=N)N(C)O;RKRNTHZFIGKUSM-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236080;MM236080;C=NNCCC1(O)CC1C;WXVGFNHLUWHLAD-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236081;MM236081;CON=C(CCO)N(C)O;LWEFWVADGVIEIH-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236082;MM236082;CCC1(C#N)CC(O)CN1;XAHNVPZFZBZBHM-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236083;MM236083;CN(C(=N)NO)C(=O)C=O;AHHVIMHFGUSFQT-UHFFFAOYSA-N;145.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236084;MM236084;CC#CCN(O)C=NC=N;RSIUHHSEBBVZAX-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236085;MM236085;CC(C)C=CC=CC(=N)N;DLSGYJHIIOZZMR-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236086;MM236086;O=C(CF)CNN=CCO;GVYUKZIDGLHAHU-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236087;MM236087;CC(N)C=CC=CC(N)=O;JCWGOUDTTYXAHJ-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236088;MM236088;CC(O)C=CC=CC(=N)N;BIUWCUMTMAPVEL-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236089;MM236089;N=C(N)C=NN=CC(F)F;GWWHGDDBHXJDGL-UHFFFAOYSA-N;148.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236090;MM236090;NC(=O)C=NN=CC(F)F;BLUIMSSIJJIENA-UHFFFAOYSA-N;149.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236091;MM236091;CN(C)C=NC=CC(=N)N;ZVRHAZJUBGMIGH-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236092;MM236092;CN(C)C=NC=CC(N)=O;WUVDQGWZIVROSD-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236093;MM236093;CN(O)C=NC=CC(=N)N;LXEAZGPULZRQQN-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236094;MM236094;CN(N)C=NN=CC(=N)N;FNTDQDREWJEDOG-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236095;MM236095;C=CC(C=NN)C(O)CC;CGPRZVPAFQEDOE-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236096;MM236096;C=C(F)C=NN=CN(C)N;YAFSCYDVGYNFRV-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236097;MM236097;CN=CN(C=O)C(=N)NO;VSHQYHYETZNGIN-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236098;MM236098;N=C(NO)N(C=O)C=NN;PDTIYGNEVGXAIA-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236099;MM236099;COC(C=NN)=C(N)CO;QPBRDWNITZLNPP-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236100;MM236100;C=CC(C(C)O)N(C)N=C;JZACQSMIXNIGBE-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236101;MM236101;CN(O)C=NC=NC(=N)N;XAVOCGBULMLFGC-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236102;MM236102;NN=C(NC=CF)C(N)=O;YIIFWRKMSWLJHE-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236103;MM236103;C=C(C)C=CC=NN(C)C;VYKPIAGYQCLLGW-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236104;MM236104;CN(O)C(C=CCO)=NN;NCIAKFBCFXAAMP-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236105;MM236105;N=C(N)C=CC=CC(N)=O;UGQKWEVTURZNAH-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236106;MM236106;CNc1nc(=O)n(N)n1N;BETSZABCOKPNCD-UHFFFAOYSA-N;144.14;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236107;MM236107;C=C(C)C=NN=CC(=C)C;OCKDXHRBRGGBDJ-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236108;MM236108;C=Cc1noc(CC)c1O;FZECZWHTPVFSSL-UHFFFAOYSA-N;139.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236109;MM236109;CC(=O)C=NN=CC(C)=O;PCNMZZQBPHJOOK-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236110;MM236110;N=C(N)C=NN=CC(N)=O;CPAFJQJSERFNHG-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236111;MM236111;C=C(F)C=NN=CC(N)=O;UCNYWYKWAIDERH-UHFFFAOYSA-N;143.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236112;MM236112;CC(C)C#CC=CC(C)N;PIRGGJIZAIXJQA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236113;MM236113;CC(F)C#CC=CC(C)N;HDFYXKPXTVONAW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236114;MM236114;CC(N)C=CC#CC(F)F;YEKRAWOZJDIEKV-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236115;MM236115;CC(C)C#CC=CC(C)O;KNTRLAQQGFZLOT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236116;MM236116;CC(N)C#CC=NN(C)C;VKWQAXJNMKTNPN-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236117;MM236117;CC(=O)C#CC=CC(C)C;AXXZHGZJIZPWGQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236118;MM236118;C=C(C)C#CC=CC(C)N;WHQOBOAIODYWLF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236119;MM236119;C=C(F)C#CC=CC(C)N;LDIFPHJFHZPOKS-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236120;MM236120;C=C(C)C#CC=CC(C)O;YOCNOVULKSEALN-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236121;MM236121;CC(=O)C#CC=CC(C)O;QITYSIAOEHNRGB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236122;MM236122;NC(=O)C#CC=CC(F)F;SAQVOGDRUCCOOE-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236123;MM236123;C=C(C)C#CC=NN(C)C;PCYRXZBKWFLPJU-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236124;MM236124;CC(C)C#CC=CC(=N)N;RNYBOIVKIQDRMF-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236125;MM236125;CC1(O)C2CC(=NN)CC21;ZZWFEYCVQUPNIS-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236126;MM236126;CC(O)C#CC=CC(N)=O;CLLUHVNMBYBGMJ-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236127;MM236127;OCC=CN=C(CF)NO;HZWBYVSEPIFGOA-UHFFFAOYSA-N;148.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236128;MM236128;NC(=O)C=CC#CC(F)F;OUEZFDSGBWTAFO-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236129;MM236129;CC=Cc1nnc(O)[nH]1;VMBODIVTJFCPBS-UHFFFAOYSA-N;125.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236130;MM236130;C=C(C)C=CC#CC(C)=O;PKZRGQLVLKPMRW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236131;MM236131;C=C(C)C#CC=CC(=N)N;PBFIUSMSJQILBT-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236132;MM236132;C#CC(=CC1CN1C)CO;ZLHCBTXGVHPJPN-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236133;MM236133;NC(=O)C#CC=CC(N)=O;RNSORKPGBULXEY-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236134;MM236134;C=CC1NC1C(C#N)=NO;GTPIAUQDBWKIGA-UHFFFAOYSA-N;137.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236135;MM236135;C=NN1CCC2(O)CC1C2;HPYCADKDOYVRMW-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236136;MM236136;O=C(O)C#CC=CC(=O)O;BNKVGQROEKSRGL-UHFFFAOYSA-N;140.09;-0.28;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236137;MM236137;C=C(F)C=CC#CC(=N)N;DRHOUYGNBAUEPC-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236138;MM236138;CC(C)C#CC#CC(C)C;JYORHUASQPJXST-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236139;MM236139;CC(C)C#CC#CC(C)O;LWHSEVFTEAISIP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236140;MM236140;CC(C)C#CC#CC(C)F;JYMADOYMQRBBDT-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236141;MM236141;CC(C)C#CC#CC(F)F;GEXPHCXYKCLHSH-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236142;MM236142;CC(O)C#CC#CC(C)F;USFBRLMUEUBNNK-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236143;MM236143;CC(F)C#CC#CC(C)F;MHWJWBAKEMXUMA-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236144;MM236144;CC(F)C#CC#CC(F)F;FYUFNWFQVCQTED-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236145;MM236145;FC(F)C#CC#CC(F)F;KQRXKHLNVMRNOQ-UHFFFAOYSA-N;150.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236146;MM236146;C=C(C)C#CC#CC(C)C;DNHTWIXOKGFKAB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236147;MM236147;CC(=O)C#CC#CC(C)C;JYKSZRZCEWOUTA-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236148;MM236148;CC(C)C#CC#CC(=N)N;BZTJIFRXHMRVBY-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236149;MM236149;CC(C)C#CC#CC(N)=O;JSBOUMDSOFKTDD-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236150;MM236150;CC(C)C#CC#CC(=O)O;SICNURSEKLGZTH-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236151;MM236151;CC(=O)C#CC#CC(C)O;COIRHLQBRBUKQK-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236152;MM236152;C=C(C)C#CC#CC(C)F;OAXKOPFZIKLJHS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236153;MM236153;CC(=O)C#CC#CC(C)F;BUNRDNCKPYVMQF-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236154;MM236154;CC(F)C#CC#CC(N)=O;CEDMFRKLKCJBOM-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236155;MM236155;CC(F)C#CC#CC(=O)O;ODTFNNUBLCPOCW-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236156;MM236156;C=C(F)C#CC#CC(C)F;WCDNTMBVOMYAMK-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236157;MM236157;C=C(C)C#CC#CC(F)F;HFUHQGDNWVSIQO-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236158;MM236158;CC(=O)C#CC#CC(F)F;BPTWEILMGOKLAL-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236159;MM236159;N=C(N)C#CC#CC(F)F;LLMBNCGPJNUGPK-UHFFFAOYSA-N;142.11;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236160;MM236160;NC(=O)C#CC#CC(F)F;AKLJILFPLXZALA-UHFFFAOYSA-N;143.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236161;MM236161;O=C(O)C#CC#CC(F)F;XBDGHMIOWHXWOY-UHFFFAOYSA-N;144.08;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236162;MM236162;C=C(F)C#CC#CC(F)F;ZDNDLABGLUONBG-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236163;MM236163;C=C(C)C#CC#CC(=C)C;FQFCHEWSAJOUPA-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236164;MM236164;C=C(C)C#CC#CC(C)=O;ZPSANIKPYOILBS-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236165;MM236165;C=C(C)C#CC#CC(N)=O;OHNDBMUWOVUYDE-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236166;MM236166;C=C(C)C#CC#CC(=O)O;QOMWWEKFYIBHBO-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236167;MM236167;CC(=O)C#CC#CC(C)=O;GNIPZQAYKNGALN-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236168;MM236168;C=C(F)C#CC#CC(C)=O;GWHLAUFMXUERIR-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236169;MM236169;N=C(N)C#CC#CC(N)=O;FCFAKQADSZIHOR-UHFFFAOYSA-N;135.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236170;MM236170;NN=c1cc(F)[nH][nH]c1=O;IOPCFSPXFJRNTD-UHFFFAOYSA-N;144.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236171;MM236171;C=C(F)C#CC#CC(N)=O;MNFDMBFUYLRRAQ-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236172;MM236172;C=C(F)C#CC#CC(=O)O;AOXPCSQJPGCRDZ-UHFFFAOYSA-N;138.1;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236173;MM236173;OCC=CCON=CCO;GYYIYSHULAJWTD-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236174;MM236174;CC(C)=CCNCC(C)C;NYXYZEXOTOQRTO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236175;MM236175;CC(C)CNCC=C(F)F;XWHKIOYUMOIMPA-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236176;MM236176;CC(N)CNCC=C(F)F;YKXSYJUXBNKXDR-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236177;MM236177;CC(F)=CCOCC(C)O;VKBFJCVAICAJAP-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236178;MM236178;CC(C)=NOCCC(C)N;WSBQARBUBZWFJW-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236179;MM236179;CC(C)=NOCCC(F)F;VTKIFCRKCCJZHJ-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236180;MM236180;CC(C)=CCCNC(C)C;YKNOPHSSJWDVRV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236181;MM236181;CC(C)=COCCN(C)C;KSDRRYZQMDYSLY-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236182;MM236182;CC(F)=COCCN(C)C;ITACJPMYGRYGEE-UHFFFAOYSA-N;147.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236183;MM236183;N=C(N)CCCC=C(F)F;RHFIGHRPPWCDJU-UHFFFAOYSA-N;148.16;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236184;MM236184;N#CCON=CCNC=O;FTBSSISUWKDREH-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236185;MM236185;N#CC1CC(O)CN1;FCMNJLWIAGLUTP-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236186;MM236186;O=C(O)CCCC=C(F)F;KOYNZANVYPHTTP-UHFFFAOYSA-N;150.12;2.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236187;MM236187;CC(=O)CCOC=C(C)C;VYXBNAZKOMWXGA-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236188;MM236188;CC(C)=COCCC(=N)N;HGHVFQWAKLOQBJ-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236189;MM236189;N=C(N)CCOC=C(F)F;ANNAWYKRESWQOE-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236190;MM236190;CC(C)=COCCC(N)=O;HOZVRBLAKDEGLM-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236191;MM236191;CC(C=NN(C)C)C(=O)O;BYPBXTVUAQESIZ-UHFFFAOYSA-N;144.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236192;MM236192;N=c1[nH]nc(CF)o1;VIHZYZXGYWSUPD-UHFFFAOYSA-N;117.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236193;MM236193;C=C(C)CNCC=C(C)F;QVDFEVGIHLHJPH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236194;MM236194;CC(=O)COCC=C(F)F;DCXZFKLXJDJGNF-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236195;MM236195;CC(C)=CCOCC(=N)N;KGKWFMODXVHXDJ-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236196;MM236196;C=C(C)CCNN=C(C)C;ZAABQODIYQYWGN-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236197;MM236197;NN=CN(O)CC(N)=O;UAMCQORBHWQEMK-UHFFFAOYSA-N;132.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236198;MM236198;Cn1[nH]n(O)c(=O)c1=N;CRFBDOOKAXEXKV-UHFFFAOYSA-N;130.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236199;MM236199;C=C(F)CCNN=C(C)C;CVFHVYHXBIBIQA-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236200;MM236200;C=C(C)CCON=C(C)C;VKJODLFOMNPWNS-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236201;MM236201;CN(O)C=NOCCO;PITWXJGYMJGWEJ-UHFFFAOYSA-N;134.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236202;MM236202;CC(C)=NOCCC(=N)N;XMSDIYBNIXUEBV-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236203;MM236203;C=C(F)CCON=C(C)C;DOBPNOJRJFHMIY-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236204;MM236204;NC(=O)C=NOCCO;KTIRCAXGIQAJRI-UHFFFAOYSA-N;132.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236205;MM236205;CC(=O)NCCC=C(C)F;PBMORXKJXNJFIX-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236206;MM236206;CC(=N)NNCC=C(C)F;FJNNKVCXGVDOJX-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236207;MM236207;CC(=O)NNCC=C(F)F;XRUMRCLDUADYDV-UHFFFAOYSA-N;150.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236208;MM236208;CC(=O)NOCC=C(C)F;PRMRGKKGAFFXGU-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236209;MM236209;N=C(N)NOCC=C(F)F;UQOSLJULLALDQR-UHFFFAOYSA-N;151.12;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236210;MM236210;CC(F)=CCONC(N)=O;UIHUNGMILSHRAB-UHFFFAOYSA-N;148.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236211;MM236211;NC(=O)NOCC=C(F)F;LJOGHCCZIMFBQV-UHFFFAOYSA-N;152.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236212;MM236212;CC(C)=CCCOC(=N)N;KZPBWZDDKXACBB-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236213;MM236213;CC(C)=CCCOC(N)=O;OJPVHOIZIPJCQC-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236214;MM236214;CC(F)=CCCOC(N)=O;MRNCAEZKRZSMBE-UHFFFAOYSA-N;147.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236215;MM236215;NC(=O)OCCC=C(F)F;DZVVCBLHDCVKKQ-UHFFFAOYSA-N;151.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236216;MM236216;C=C(C)OCOC=C(C)C;CETXPGOXOMDWPY-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236217;MM236217;CC(=O)OCOC=C(C)F;ABUQLVKEUOTGQQ-UHFFFAOYSA-N;148.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236218;MM236218;CC(=O)OCOC=C(F)F;VIHDIZNRCUUUME-UHFFFAOYSA-N;152.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236219;MM236219;CC(C)=COCOC(=N)N;HCERFWLBNBRTHH-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236220;MM236220;CC(C)=COCOC(N)=O;FHAYKJQZZUBMTG-UHFFFAOYSA-N;145.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236221;MM236221;CC(F)=COCOC(N)=O;RFYMZGDPBNDBLP-UHFFFAOYSA-N;149.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236222;MM236222;NC(=O)OCOC=C(F)F;KWZDDXMRUDKCGD-UHFFFAOYSA-N;153.08;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236223;MM236223;C=C(C)OCON=C(C)C;IBLYBWQYKFDSNK-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236224;MM236224;CC(=O)OCON=C(C)C;ORBKHEPIWARERZ-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236225;MM236225;CC#CCN(O)C=NC;CAGAERSAPVRSFQ-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236226;MM236226;CC(C)=NN=CCC(C)N;JMUUEJJMJITIRC-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236227;MM236227;CC(C)=NN=CCC(C)O;UGIKGDMHWUVNIZ-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236228;MM236228;C#CCN(O)C=NC=N;CQMLGIXGQUKQKK-UHFFFAOYSA-N;125.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236229;MM236229;N=C(N)CC=CC=C(F)F;OCPCENUAFDOLOM-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236230;MM236230;CC(C)=NN=CCC(=N)N;OUWGABZCJLUYGY-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236231;MM236231;CC(C)=NN=CCC(N)=O;PHQVYFFQSMYWRL-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236232;MM236232;CC(F)=CC=CNC(N)=O;DMXKSZNIMPOHSW-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236233;MM236233;NC(=O)NC=CC=C(F)F;PWDLBJQXRRFCLT-UHFFFAOYSA-N;148.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236234;MM236234;N=C(N)NN=CC=C(N)N;AREMGVKEUGACQW-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236235;MM236235;CC(C)=CC=NNC(N)=O;QTQFQRAAOQQOSL-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236236;MM236236;CC(F)=CC=NNC(N)=O;PGJAKDRSTKGHHB-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236237;MM236237;NC(=O)NN=CC=C(F)F;KUTPLJVMOOIGAS-UHFFFAOYSA-N;149.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236238;MM236238;CC(=N)NC=NN=C(C)C;NRIIRKYNIYKQKO-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236239;MM236239;C=CC(O)CC=NOC;CARMPVWZQJKPJX-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236240;MM236240;CC(F)=CC=NOC(N)=O;GKZKGRLEIBWMAH-UHFFFAOYSA-N;146.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236241;MM236241;NC(=O)ON=CC=C(F)F;IWZQSOJIPQUPIN-UHFFFAOYSA-N;150.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236242;MM236242;CC(=O)OC=NN=C(C)C;AKKLRAGVWDEXLV-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236243;MM236243;CC(C)=NN=COC(N)=O;XPZUZCNDFKHBGP-UHFFFAOYSA-N;143.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236244;MM236244;CC(F)=CCC=CC(C)N;SJNIZFDQSCOPQA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236245;MM236245;CC(F)=CCC=NN(C)C;NXSMOUOWHDTGAH-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236246;MM236246;CC(C)=COC=NN(C)C;MDEQTQOSJSQIJU-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236247;MM236247;CC(F)=COC=NN(C)C;HYMGRUDCZGDKQT-UHFFFAOYSA-N;146.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236248;MM236248;CN(C)N=COC=C(F)F;XFXJZPCNDAZBPN-UHFFFAOYSA-N;150.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236249;MM236249;CN=CN(OC)C(N)=O;GWJSRYDCYHHBES-UHFFFAOYSA-N;131.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236250;MM236250;CNc1cc(N)n(O)c1;OOWHRLVPNXEXLE-UHFFFAOYSA-N;127.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236251;MM236251;CC(F)=COC=CC(=N)N;ROGGNSCFFVKWQA-UHFFFAOYSA-N;144.15;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236252;MM236252;N=C(N)C=COC=C(F)F;XKTJEEQXMGIHTL-UHFFFAOYSA-N;148.11;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236253;MM236253;C=CC12CC(O)CN1C2;GDJDSHNWOGYZRK-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236254;MM236254;N#CC1CN=C(NO)N1;LGPZATYRZVTDEU-UHFFFAOYSA-N;126.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236255;MM236255;NC(=O)C=COC=C(F)F;LNYYCCZHQVLSRF-UHFFFAOYSA-N;149.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236256;MM236256;COC(C)C(C)C(=O)O;BEGJUZBXLOOKOY-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236257;MM236257;CC(C)=NNC=CC(=N)N;IIZVVPJLHNUEBG-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236258;MM236258;N=CN=CN(O)CC(N)=O;FFYOEQULKALUPO-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236259;MM236259;CC(=N)NC=NC=C(C)F;YEIHZXRLMKZWHS-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236260;MM236260;CC(F)=CN=CNC(=N)N;KJJRWJZCQWRKLY-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236261;MM236261;N=C(N)NC=NC=C(F)F;BSLNVFSBTMWFHF-UHFFFAOYSA-N;148.12;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236262;MM236262;CC(N)C#CCC=C(F)F;OSSLRTZURXTYOV-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236263;MM236263;CC(=O)C#CCC=C(C)C;GQZXKAWHSYUABK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236264;MM236264;CC(F)=CCOC=C(C)F;DFHOEHLWRQDOHI-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236265;MM236265;CC(F)=CCNN=C(C)C;XKABSHNHDBACIV-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236266;MM236266;CC(C)=CCON=C(C)C;CKAGPCRJLDIPAP-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236267;MM236267;CC(F)=CCON=C(C)C;IJRWPOJPPXXERO-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236268;MM236268;CC(C)=NOCC=C(F)F;LVPNFXKWLIMPLJ-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236269;MM236269;CC(N)=CC=NN=C(C)C;MRPQQJUESJAHQB-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236270;MM236270;CC(C)=NN=CC=C(N)N;QQMHNGJKAFIASV-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236271;MM236271;CC1(C)CC(C=CC#N)C1;OHJVUBWGEDKFLB-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236272;MM236272;CC1(C)CC(C#CC#N)C1;GPCOZDSGVMTPMK-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236273;MM236273;C=CC(O)CC=NN(C)C;QRQNOJRYDRGQJZ-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236274;MM236274;C#CC#CC1CC(C)(C)C1;PCJYCZGGLDJFON-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236275;MM236275;C#CC#CC1CC(C)(N)C1;NWDPWBMZGQUVID-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236276;MM236276;CCC#CCN(O)C=NC;SSKKMEWPWGLOBR-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236277;MM236277;C#CC#CC1CC(C)(F)C1;KAHYOLKBZSLTJE-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236278;MM236278;C#CC#CC1CC(F)(F)C1;XZFSENOCSBDVOZ-UHFFFAOYSA-N;140.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236279;MM236279;C#CC#CC1CC(C)(C)N1;YHLLKFYFIJPXMX-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236280;MM236280;CC(C)CC1C(C)C1(C)C;TUOVYOKHPFZFRR-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236281;MM236281;CC(N)CC1C(C)C1(C)C;SORVDFHWAKSRFQ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236282;MM236282;C#CCONC(=N)C(N)=O;WFVGKJJUYWLPTH-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236283;MM236283;CC(F)CC1C(C)C1(C)C;IPKFJVWCMPAUTB-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236284;MM236284;CC1C(CC(F)F)C1(C)C;QSMDYKRFQZWYBZ-UHFFFAOYSA-N;148.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236285;MM236285;CC(C)CC1C(N)C1(C)C;MZYLLEGCWHWHHG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236286;MM236286;CC(N)CC1C(N)C1(C)C;DSCQGFLAVUNIPG-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236287;MM236287;CC(O)CC1C(N)C1(C)C;YPTWOCLMWFIMTD-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236288;MM236288;CC(F)CC1C(N)C1(C)C;YAROVVRVTFERNH-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236289;MM236289;NC(=O)N(N)C(=O)CCO;AKGZJFOPFQFGSC-UHFFFAOYSA-N;147.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236290;MM236290;CC(N)CC1C(O)C1(C)C;GTQWFMZGVKYNEQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236291;MM236291;CC(O)CC1C(O)C1(C)C;CBKHKEDNKLEQDR-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236292;MM236292;CC(C)CC1C(F)C1(C)C;VUYAXWCKUNOMLL-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236293;MM236293;CC(C)CC1C(C)C1(C)N;URDULQPAGAACDQ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236294;MM236294;CC(N)CC1C(C)C1(C)N;BHNRFTHWRFQLLV-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236295;MM236295;CC(O)CC1C(C)C1(C)N;MYAUQAHTBZWIQO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236296;MM236296;CC(F)CC1C(C)C1(C)N;VUDDZCLCWWUFBI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236297;MM236297;CC1C(CC(F)F)C1(C)N;UHSTWGAGFMSMLV-UHFFFAOYSA-N;149.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236298;MM236298;CC(N)CC1C(N)C1(C)N;AQCVNNHAAUZNLC-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236299;MM236299;CC(O)CC1C(N)C1(C)N;QUYUYEWNGLDEQR-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236300;MM236300;CC(F)CC1C(N)C1(C)N;DQKNIKKDPLJQHK-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236301;MM236301;CC(C)CC1C(O)C1(C)N;VEIDMVLDMAEERF-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236302;MM236302;CC(N)CC1C(O)C1(C)N;VXRHCIBGJMTSQS-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236303;MM236303;CC(O)CC1C(O)C1(C)N;UXSXPIAYZUAEAH-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236304;MM236304;CC(C)CC1C(F)C1(C)N;CQDDNPRMHMVZTC-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236305;MM236305;CN(O)C(=N)C(F)CC=O;ZKLYGYJABGLIRH-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236306;MM236306;CC(N)CC1C(C)C1(C)O;IHCOWSMSHYOORJ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236307;MM236307;CC(O)CC1C(C)C1(C)O;XKWBSJFKOISNJY-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236308;MM236308;CC(F)CC1C(C)C1(C)O;INGVGIGIWPNZDR-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236309;MM236309;CC1C(CC(F)F)C1(C)O;QHMBRQCPRSFXDN-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236310;MM236310;CC(N)CC1C(N)C1(C)O;BQXQHGMBNXARIK-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236311;MM236311;CC(O)CC1C(N)C1(C)O;ZKVYIMISRKRWMM-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236312;MM236312;CC(N)CC1C(O)C1(C)O;GOQQYTUQLXFELH-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236313;MM236313;CC(O)CC1C(O)C1(C)O;COKQQOMUCLNVDH-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236314;MM236314;CC(C)CC1C(C)C1(C)F;QBXZECUZQHVQAI-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236315;MM236315;CC(N)CC1C(C)C1(C)F;KMCOFUCOYMNSCZ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236316;MM236316;CC(F)CC1C(C)C1(C)F;KJPCARUGFWNXRK-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236317;MM236317;CC1C(CC(F)F)C1(C)F;BQWZKXLATLZREI-UHFFFAOYSA-N;152.16;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236318;MM236318;CC(N)CC1C(N)C1(C)F;LTGLAZFIPAYCLH-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236319;MM236319;CC(O)CC1C(N)C1(C)F;GBTZHOQJQPZMMU-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236320;MM236320;CC(C)CC1C(C)C1(F)F;WPNFRMPADXYTNS-UHFFFAOYSA-N;148.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236321;MM236321;CC(O)CC1C(C)C1(F)F;TTWPHPRHIVTXLF-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236322;MM236322;CC(C)NC1C(C)C1(C)C;IETQRPBRLHMENI-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236323;MM236323;CC(C)NC1C(N)C1(C)C;OYJXTYXDMQKIGK-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236324;MM236324;CC(C)NC1C(O)C1(C)C;GOPKPVHKIBDMAS-UHFFFAOYSA-N;143.23;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236325;MM236325;CC(C)NC1C(F)C1(C)C;HOHQRCGUQCKFKB-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236326;MM236326;CC(C)NC1C(C)C1(C)N;NPCIGSDQLBEJOG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236327;MM236327;CC(C)NC1C(O)C1(C)N;NIWVFMPCGNKLKN-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236328;MM236328;CC(C)NC1C(N)C1(C)O;LFFUCMJAQWSNIB-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236329;MM236329;CC(C)OC1C(C)C1(C)C;KQYCABJORWZIIM-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236330;MM236330;CC(C)OC1C(N)C1(C)C;OQWMEKOKIWPTGQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236331;MM236331;CC(C)OC1C(O)C1(C)C;KSEZXKJEPORCHS-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236332;MM236332;CC(C)OC1C(F)C1(C)C;CCIFZHOBHVMIOF-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236333;MM236333;CC(C)OC1C(C)C1(C)N;JNIJLQUKPABMNA-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236334;MM236334;CC(C)OC1C(N)C1(C)N;UCHYXOKMLWAGKR-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236335;MM236335;CC(C)OC1C(O)C1(C)N;OZGORDBKBGYJSM-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236336;MM236336;CC(C)OC1C(C)C1(C)O;HHGADRYNJZXVRZ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236337;MM236337;CC1C(CN(C)C)C1(C)C;XKBKYJZVKXPRRF-UHFFFAOYSA-N;141.26;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236338;MM236338;CN(C)CC1C(N)C1(C)C;VJZIVPJSGVTXSZ-UHFFFAOYSA-N;142.25;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236339;MM236339;CC1C(CN(C)C)C1(C)N;VGKHOAKMLPLLFR-UHFFFAOYSA-N;142.25;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236340;MM236340;CN(C)CC1C(N)C1(C)N;DKUYRWIGMWJPPV-UHFFFAOYSA-N;143.23;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236341;MM236341;CN(C)CC1C(F)C1(C)N;DMRXAXKAJJCPQI-UHFFFAOYSA-N;146.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236342;MM236342;CC1C(CN(C)C)C1(C)O;FTYPGZDEUYJZJK-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236343;MM236343;CN(C)CC1C(N)C1(C)O;QLPAVMCHLUWOFU-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236344;MM236344;CN1C(CC(F)F)C1(C)C;JGXDENVOHHEFEU-UHFFFAOYSA-N;149.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236345;MM236345;CN(C)CC1N(C)C1(C)C;QCRZUVDBYDGGHM-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236346;MM236346;CC(N)CN1C(C)C1(C)C;IWCRTRNPKQXKHN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236347;MM236347;CC(F)CN1C(C)C1(C)C;DFAPNERGKBMRRX-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236348;MM236348;C=C(C)CC1C(C)C1(C)C;MHRSURJCNZAPSF-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236349;MM236349;CC1C(CC(=N)N)C1(C)C;FVKICWGMKAPISH-UHFFFAOYSA-N;140.23;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236350;MM236350;CC1C(CC(=O)O)C1(C)C;JCNFZZHMYIWIOG-UHFFFAOYSA-N;142.2;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236351;MM236351;C=C(C)CC1C(N)C1(C)C;ZHFAYHWOTAOGGK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236352;MM236352;CC1(C)C(N)C1CC(=N)N;RWFKLXTXBKIABE-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236353;MM236353;CC1(C)C(N)C1CC(N)=O;VGQQMMVZZHJUSW-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236354;MM236354;C=C(F)CC1C(N)C1(C)C;LQTUIUFAOHLIQI-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236355;MM236355;CNN=C(CCO)N(C)O;VCVFTQWHNJCFBK-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236356;MM236356;C=C(C)CC1C(C)C1(C)N;ZLTCTOSRNDZTSD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236357;MM236357;CC1C(CC(=N)N)C1(C)N;STAFPACBNQFZFP-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236358;MM236358;CC1C(CC(N)=O)C1(C)N;ZWUHBUPCICWVNV-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236359;MM236359;C=C(F)CC1C(C)C1(C)N;NMYNWLPNWYUYBZ-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236360;MM236360;C=C(C)CC1C(N)C1(C)N;CQRZWYILJUEKID-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236361;MM236361;CC1(N)C(N)C1CC(N)=O;ZPCQLRIZGHYMIY-UHFFFAOYSA-N;143.19;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236362;MM236362;C=C(C)CC1C(O)C1(C)N;ZKPWCTHOXUGORE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236363;MM236363;C=C(F)C(=NOC)N(C)O;WVQHVTMNRJGCQN-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236364;MM236364;CC(=O)CC1C(C)C1(C)O;VDLKTZJPDMUERX-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236365;MM236365;CC1C(CC(=N)N)C1(C)O;FULMOPQOXQAZEO-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236366;MM236366;CC1C(CC(N)=O)C1(C)O;AIEATCJCOIJVBE-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236367;MM236367;C=CC(C)(O)C(C)C(=O)O;VLKGTJKJYVAWAS-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236368;MM236368;C=C(C)CC1C(N)C1(C)O;OSDRTTHJFTYLAA-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236369;MM236369;C=C(C)CC1C(C)C1(C)F;QVZQWARVYDDBMR-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236370;MM236370;CC(=O)CC1C(C)C1(C)F;VMTPYHHOCFZOMC-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236371;MM236371;CC1C(CC(=N)N)C1(C)F;FYKWZNJXBPMHSK-UHFFFAOYSA-N;144.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236372;MM236372;CC1(C#N)CN=C(NO)N1;VVZUMJXDDHERLX-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236373;MM236373;CC1C(CC(=O)O)C1(C)F;UYKVZEGTVMOCCC-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236374;MM236374;C=C(F)CC1C(C)C1(C)F;FFLAXVJUFITEIG-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236375;MM236375;C=C(C)CC1C(N)C1(C)F;DFACJQWCUIHORA-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236376;MM236376;CC1C(CC(N)=O)C1(F)F;FCJQAXJFVMFIIO-UHFFFAOYSA-N;149.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236377;MM236377;CC(=N)NC1C(C)C1(C)C;QLXRHOYSGBBVAH-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236378;MM236378;CC1C(NC(N)=O)C1(C)C;NJJXHUPWLJPJME-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236379;MM236379;CC(=O)NC1C(N)C1(C)C;UETBAMYTTYYKMU-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236380;MM236380;CC1(C)C(N)C1NC(=N)N;FULAOFBYMHTLSF-UHFFFAOYSA-N;142.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236381;MM236381;CC(=O)NC1C(C)C1(C)N;ZCFHXHLBVVPSCD-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236382;MM236382;CC1C(NC(N)=O)C1(C)N;BOBOFYZZIMNZLM-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SNd";;;;;;;-1.11;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236383;MM236383;CC(=O)NC1C(N)C1(C)N;DERKVPRODVKBSP-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236384;MM236384;CC1C(NC(=N)N)C1(C)O;XJVOULYOBRZHIK-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236385;MM236385;CC(=N)NC1C(O)C1(C)O;PDUOKLCYCBSTFZ-UHFFFAOYSA-N;144.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236386;MM236386;CC1C(NC(=N)N)C1(C)F;RXEGMZUXHZYVCB-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236387;MM236387;C=C(C)OC1C(C)C1(C)C;VIYXOIVJNFMPQE-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236388;MM236388;CC(=O)OC1C(C)C1(C)C;COFNKLFWXHHZNR-UHFFFAOYSA-N;142.2;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236389;MM236389;CC1C(OC(=N)N)C1(C)C;HIVTVHJUBVGVPD-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236390;MM236390;CC1C(OC(N)=O)C1(C)C;FEWOATQCIQCJNR-UHFFFAOYSA-N;143.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236391;MM236391;CC(=O)OC1C(N)C1(C)C;ZUVXMMSEJNVWDC-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236392;MM236392;CC1(C)C(N)C1OC(=N)N;KSWZECCNRMXLDB-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236393;MM236393;CC1(C)C(N)C1OC(N)=O;JKUFCNUCIMLBGF-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236394;MM236394;CC(=O)OC1C(O)C1(C)C;KLMOSLHBMSMWRJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236395;MM236395;CC1(C)C(O)C1OC(N)=O;DPEGDSMHWJIUSB-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236396;MM236396;CC(=O)OC1C(F)C1(C)C;QBRJHXVIBWYBBS-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236397;MM236397;C=C(C)OC1C(C)C1(C)N;GBVAVMWPJLWWBC-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236398;MM236398;CC(=O)OC1C(C)C1(C)N;KZAUODLRUNLWDP-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236399;MM236399;CC1C(OC(=N)N)C1(C)N;KDNSIPQHDDOKAW-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236400;MM236400;CC1C(OC(N)=O)C1(C)N;XYKXGFKGADMXHN-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236401;MM236401;CC1(N)C(N)C1OC(=N)N;QIRIOGALZWIBEL-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236402;MM236402;CC1(N)C(N)C1OC(N)=O;IOGFSEOSHAUPGC-UHFFFAOYSA-N;145.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236403;MM236403;CC(=O)OC1C(O)C1(C)N;DSADQMZMNHKVBA-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236404;MM236404;CC(=O)OC1C(C)C1(C)O;PXFMSOBTDQTLLB-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236405;MM236405;CC1C(OC(=N)N)C1(C)O;IXFWMHJFAYTAOT-UHFFFAOYSA-N;144.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236406;MM236406;C=C(C)OC1C(N)C1(C)O;VWIAFMPIRKUHQL-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236407;MM236407;CC(=O)OC1C(N)C1(C)O;JJIOIXKFUKHXIL-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236408;MM236408;CC(=O)OC1C(O)C1(C)O;XCWYOOLQPYSZBY-UHFFFAOYSA-N;146.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236409;MM236409;C=C(C)OC1C(C)C1(C)F;DGKBMXOYWPEMBS-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236410;MM236410;CC1C(OC(=N)N)C1(C)F;HQCUUIBDTZCDFG-UHFFFAOYSA-N;146.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236411;MM236411;CC1C(OC(N)=O)C1(C)F;JYJZGIIXLXUARH-UHFFFAOYSA-N;147.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236412;MM236412;CC(=O)OC1C(O)C1(C)F;QGCLACYZIXJQBL-UHFFFAOYSA-N;148.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236413;MM236413;CC1(C#N)CNC(NO)=N1;VVZUMJXDDHERLX-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236414;MM236414;CN1C(CC(=N)N)C1(C)C;FECKGBFCVXNZBV-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236415;MM236415;CC1N(CC(=N)N)C1(C)C;DQQSORMEXJJHAO-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236416;MM236416;C=NN(C=N)CC(O)CC;UEOGTBOVXWABQT-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236417;MM236417;N#CC(=NO)C(=O)C=CN;IHURULVFZZAIPT-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236418;MM236418;CC(=N)NN1C(C)C1(C)C;KFLNHLACMZSQGZ-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236419;MM236419;CC(=O)NN1C(C)C1(C)C;ILGLKXMHKNGAOU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236420;MM236420;CCCC1C(C)(C)C1(C)C;WZBQKBOHTXJBLF-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236421;MM236421;CC1(C)C(CCN)C1(C)C;HQYJUGJIYVHTTF-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236422;MM236422;C=NN(C=O)CC(O)CC;SUAIHQOXPBLDIU-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236423;MM236423;CC1(C)C(CCF)C1(C)C;HQHNIMFJTYJABU-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236424;MM236424;CC1(C)C(CCO)C1(C)N;PJVGJCSGMBVFHA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236425;MM236425;CC1(C)C(CCF)C1(C)N;HMZQGTDOPYNBMQ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236426;MM236426;CC1(C)C(CCO)C1(C)O;LXDUCTWWFKMMLX-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236427;MM236427;CNCC1C(C)(C)C1(C)C;NIGLRPWKPDEGDZ-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC2";;;;;;;2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236428;MM236428;CC1(C)N(CCN)C1(C)C;FYRYOCDNSIYHQQ-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236429;MM236429;CC1(C)N(CCF)C1(C)C;CVRAGKREBJOWPN-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236430;MM236430;CC(N)CC(C)CCCN;QSZJSOGUJHRGKZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236431;MM236431;CC(N)CC(C)CCCF;WLLYEILWULMEHR-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236432;MM236432;CC(CCCN)CC(F)F;HRJGDEXQPKAJHN-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236433;MM236433;CC(CCCO)CC(F)F;CHYXVSDESUNAAM-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236434;MM236434;CC(C)CC(N)CCCO;KTBJVOFHFSIDKX-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236435;MM236435;CCCCC(N)CC(C)N;QRBPRDRAVFRTOO-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236436;MM236436;CCCCC(N)CC(C)O;DCOSZJHYDFGJEA-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236437;MM236437;CC(O)CC(N)CCCF;IWLGUZQEYDFVOB-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236438;MM236438;CC(F)CC(N)CCCN;KLXROEBLHPFRBA-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236439;MM236439;CC(C)CC(O)CCCN;YQLMDPJDQWTHCR-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236440;MM236440;CC(N)CC(O)CCCF;MCQORNUSOIUCCL-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236441;MM236441;CCCCC(F)CC(C)N;JHUPSVVMDLUZDT-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236442;MM236442;CC(N)CC(F)CCCO;VHTORFPGLVSAQL-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236443;MM236443;CC(O)CC(F)CCCN;MLSZXRPNKMWVIN-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236444;MM236444;CC(O)CC(F)CCCF;OSLLVMXBPBEKPY-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236445;MM236445;CC(F)CC(F)CCCN;OGHWUZJDDSKKSK-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236446;MM236446;CC(F)CC(F)CCCF;MSHZVHWLCAJYSR-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236447;MM236447;NCCCC(F)CC(F)F;HHEUFBQWGQGJLO-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236448;MM236448;CNCCC(C)CC(C)N;RBTGJBARXCDXJL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236449;MM236449;CNCCC(C)CC(F)F;KYFJLMLORJPSJW-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236450;MM236450;CNCCC(F)CC(C)C;PIGVHVBPLDDOKE-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236451;MM236451;CNCCC(F)CC(C)N;YHPYOFLHYMRUJG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236452;MM236452;CNCCC(F)CC(C)O;FCBSLEOVBWRLDA-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236453;MM236453;CNCCC(F)CC(F)F;FINVTPIMPIBYAO-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236454;MM236454;COCCC(F)CC(C)N;HMTCPKVZLQHNRG-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236455;MM236455;CCNCC(C)CC(C)N;BZOBIVSXJNWBMM-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236456;MM236456;CCNCC(C)CC(C)O;JADMADMUBQXUGR-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236457;MM236457;CCNCC(C)CC(F)F;CAJKHZIGHSOYJC-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236458;MM236458;CCNCC(O)CC(C)C;QPQSRQYDANAUAP-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236459;MM236459;CCNCC(F)CC(C)F;JRALRMCXRVHCTH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236460;MM236460;CCNCC(F)CC(F)F;NGVSMPTUYDDLHI-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236461;MM236461;CCOCC(O)CC(C)N;RONNGPXUXZFDOA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236462;MM236462;CCOCC(O)CC(C)F;MKNFSRSRLWGOSF-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236463;MM236463;CCOCC(F)CC(C)N;IMZQNOSYMSXCLI-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236464;MM236464;CCOCC(F)CC(C)O;UHIKMNFKRZQHMM-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236465;MM236465;CC(C)CC(C)NCCN;JWWVRUCWQDICJC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236466;MM236466;CC(C)CC(C)NCCF;FTDNDBQRNYZSII-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236467;MM236467;CCCNC(C)CC(C)N;MWLIDPLRHYDULK-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236468;MM236468;CC(N)CC(C)NCCF;DFKDYAOXKVJPJT-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236469;MM236469;CCCNC(C)CC(C)O;HHQMNDXPZXLTPL-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236470;MM236470;CC(O)CC(C)NCCF;LATWLLRJUZSPAL-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236471;MM236471;COCOC(C)CC(C)C;FMQMCXMSUSWQGQ-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236472;MM236472;COCOC(C)CC(C)N;AEHHSJACZHKYNL-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236473;MM236473;COCOC(C)CC(F)F;ZTRVKFPDFNVCIC-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236474;MM236474;CC(C)NC(C)CCCN;ZITILYKRDARYAE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236475;MM236475;CC(C)NC(C)CCCO;GYQFGCCNVBBOPZ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236476;MM236476;CC(C)NC(C)CCCF;NQZWYFGCFJDKLD-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236477;MM236477;CNCCC(C)NC(C)C;PZTQTBZNKOEPPR-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236478;MM236478;CCNCC(C)NC(C)C;USAREGDYALOVTB-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236479;MM236479;CC(C)OC(C)OCCN;BSRDNZNDUVKXHJ-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236480;MM236480;CC(C)OC(C)OCCO;LHWIHCCAXXFETM-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236481;MM236481;CCCCC(O)CN(C)C;BBDNMNXHOAUSKH-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236482;MM236482;CN(C)CC(F)CCCN;PHBOAHCWOMXLAW-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236483;MM236483;COCCC(N)CN(C)C;ZSXKVUBIEZROID-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236484;MM236484;CC(CN(C)C)OCCN;GEAGQLZRYXBFQD-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236485;MM236485;COCOC(C)CN(C)C;PEWUMPPEDYZYCK-UHFFFAOYSA-N;147.22;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236486;MM236486;CC(N)CN(C)CCCO;JLNYRLQSVGJHFO-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236487;MM236487;CC(O)CN(C)CCCN;SBHKORSVRFDQCU-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236488;MM236488;CN(CCCN)CC(F)F;CMFATXBCUJCZQL-UHFFFAOYSA-N;152.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236489;MM236489;C=CC1(C#N)NC1C(C)O;IOKRSNJDBPZJDT-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236490;MM236490;CN(CCCF)CC(F)F;IATVDXIOAWAVFF-UHFFFAOYSA-N;155.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236491;MM236491;CNCCN(C)CC(C)C;DNUDSNYINSCYMP-UHFFFAOYSA-N;144.26;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236492;MM236492;CNCCN(C)CC(C)N;NQBUMIXIKBMZJY-UHFFFAOYSA-N;145.25;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236493;MM236493;COCCN(C)CC(C)N;BXODZZYBLSWHPM-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236494;MM236494;COCCN(C)CC(C)O;MOOXQLARACJANB-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236495;MM236495;C=CCCC(N)CC(C)N;CULHOYXCAMRDMU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236496;MM236496;C=CCCC(N)CC(C)O;FNHIRZLDCLGQLH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236497;MM236497;C=CCCC(N)CC(C)F;KGHIUGLIYJJLGU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236498;MM236498;C=CCCC(O)CC(C)N;XIKQQVUKMVLGSC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236499;MM236499;CC(O)CC(O)CCC=O;JPIPFDTZBWNZSD-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236500;MM236500;C=CCCC(F)CC(C)N;GBGOENKTAIIKOW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236501;MM236501;CC(F)CC(F)CCC=O;RPQYFJDUOGUPOH-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236502;MM236502;C=CCCC(F)CC(F)F;CTHBBFXBGCWFCH-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236503;MM236503;CC(C)CC(C)CNC=N;RISBUDTWULARRQ-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236504;MM236504;CC(N)CC(C)CNC=N;BWEKPPPUXOTANF-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236505;MM236505;CC(N)CC(C)CNC=O;UTEAUXHLDIFVKD-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236506;MM236506;C=NNCC(C)CC(C)C;KGKIULZBVWXKTJ-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236507;MM236507;C#CC1(C=C)NC1C(C)O;AFJSVOXUTSNYMV-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236508;MM236508;C#CC1(C=O)NC1C(C)O;CMBIVFXHHSNJIP-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236509;MM236509;CC(O)CC(C)COC=O;PWGLVXFACNDSRX-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236510;MM236510;CC(COC=O)CC(F)F;GQWXKXBROXOKOM-UHFFFAOYSA-N;152.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236511;MM236511;CC(C)CC(N)COC=O;XKVYPBTXDFKGDD-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236512;MM236512;CC(F)CC(N)COC=O;UDNSMYMTMROZHV-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236513;MM236513;C=COCC(N)CC(F)F;SGEROSJSZXFWKV-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236514;MM236514;C=COCC(O)CC(F)F;XGDBLYRDHVMBLY-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236515;MM236515;O=COCC(O)CC(F)F;IAPRCMMTEHOAJB-UHFFFAOYSA-N;154.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236516;MM236516;CC(F)CC(F)COC=O;RMYROBOREQISTE-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236517;MM236517;O=COCC(F)CC(F)F;IQPJVWUMZLTDEV-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236518;MM236518;C=NOCC(C)CC(C)N;FZMKTMCNQYZLSH-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236519;MM236519;CON=CN(O)CCCO;AHDILHGNZNSEBD-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236520;MM236520;C=NOCC(F)CC(C)N;BQNBJOORDJVGKK-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236521;MM236521;C=CCNC(C)CC(C)N;ZWRXNTSAHRIACW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236522;MM236522;C=CCNC(C)CC(C)O;XVYGMORNMFJWTH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236523;MM236523;C=CCNC(C)CC(F)F;MQGYHEIBEJYILX-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236524;MM236524;CC#CCN(O)C=NCC;VTQGCJJPRRCJRZ-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236525;MM236525;CC(N)CC(C)NNC=N;AKTHCDCVAAROAH-UHFFFAOYSA-N;144.22;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236526;MM236526;CC(O)CC(C)NNC=N;GBEMZUZWOQGJRV-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236527;MM236527;CC(F)CC(C)NNC=N;SUUMDVXSPTUGCE-UHFFFAOYSA-N;147.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236528;MM236528;C=CCOC(C)CC(C)N;KWTSUMIEBOLYDE-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236529;MM236529;CC(O)CC(C)OCC#N;NMSFZERIRLMPLF-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236530;MM236530;CC(CC(F)F)OCC#N;VELIXSUQRFLFGL-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236531;MM236531;CC(N)CC(C)ONC=N;NNRDKWZPNLRAGD-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236532;MM236532;CC(F)CC(C)ONC=N;IQGMHCOARWNCCU-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236533;MM236533;CC(CC(F)F)ONC=N;UCMFFAGDZVVEFQ-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236534;MM236534;C=NNCC(C)NC(C)C;OKRQHWXYWUGKII-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236535;MM236535;C=COCC(C)NC(C)C;BEJLBQXAQZJAHE-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236536;MM236536;CC(C)OC(C)CNC=N;USFIXLPAOCUJMB-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236537;MM236537;C=NNCC(C)OC(C)C;GJAVIQWGHCMNLH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236538;MM236538;CC(C)OC(C)OCC#N;ZYJJQNTWHKWLBN-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236539;MM236539;CN(C)CC(N)CNC=N;UDWBMPKJXLDTGM-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236540;MM236540;CN(C)CC(O)CNC=N;PCWAAAKRUGZCQB-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236541;MM236541;CN(C)CC(O)CNC=O;ZCCLQKBUOVYDFJ-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236542;MM236542;C=NNCC(C)CN(C)C;HBCZBKGBQPENTE-UHFFFAOYSA-N;143.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236543;MM236543;CN(C)CC(O)COC=O;GLZVUUCOBLMBTK-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236544;MM236544;C=NOCC(C)CN(C)C;UWLLANHEZDKNBF-UHFFFAOYSA-N;144.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236545;MM236545;C=NOCC(N)CN(C)C;DDXCLFYZDNPGJK-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236546;MM236546;CC(CN(C)C)ONC=O;ARLDOTMKGXVORT-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236547;MM236547;CC(C)CN(C)CCC=O;QTTGPNLFENNLMB-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236548;MM236548;C#CCNC(C)CC(C)C;CXOXZNWULILFLW-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236549;MM236549;C#CCCC(N)CN(C)C;NAUMNYUFJRLVPP-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236550;MM236550;C#CCNC(C)CN(C)C;BAXZFSANDXVOJI-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236551;MM236551;CC(CCCN)CC(=N)N;IVGDWMLZLGBXKT-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236552;MM236552;CC(CCCF)CC(=N)N;ZRDQFQQHZKUMGF-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236553;MM236553;CNC(=O)CON=CNO;UMNORPFNLRNTLG-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236554;MM236554;N#CC(CC=O)=NO;WDLYIIDCEABZIQ-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236555;MM236555;C=C(C)CC(N)CCCF;GHHRBWGHQCSYRF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236556;MM236556;CCCCC(N)CC(=N)N;YMYSVNYPJAZTKF-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236557;MM236557;N=C(N)CC(N)CCCF;XYDHYDCRIUGMIW-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236558;MM236558;NC(=O)CC(N)CCCF;RIFYYSTWIARVJN-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236559;MM236559;C=C(F)CC(N)CCCF;NNMWTVUDDLNPLD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236560;MM236560;C=C(C)CC(F)CCCN;CHRFVIJBKPQPDZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236561;MM236561;C=C(C)CC(F)CCCO;RXUALSGWYHZCRG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236562;MM236562;C=C(C)CC(F)CCCF;ZVGFJIUPYVXXCP-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236563;MM236563;CC(=O)CC(F)CCCF;PFTMFUCWCRXXFY-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236564;MM236564;CCCCC(F)CC(=N)N;SYWZGWIGAHCTHB-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236565;MM236565;CCCCC(F)CC(N)=O;VGTSWYDKYIAUIZ-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236566;MM236566;O=C(O)CC(F)CCCF;YZHFXIGXMBAWGU-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236567;MM236567;C=C(F)CC(F)CCCN;KCRFBQVXLMZCDP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236568;MM236568;C=C(F)CC(F)CCCO;VGCPFCICPRQHQO-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236569;MM236569;C=C(F)CC(F)CCCF;SIZYNVLNPADZND-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236570;MM236570;CNCCC(C)CC(N)=O;PXMXJDHGSRNVPF-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236571;MM236571;COCCC(O)CC(C)=O;FBNRSOVQBVUAIU-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236572;MM236572;COCCC(O)CC(=N)N;AKSUQIKOZSPHTD-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236573;MM236573;COCCC(F)CC(=N)N;LGPXYUVJWGDVHR-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236574;MM236574;C=C(C)CC(C)CNCC;HMEWTPWNUSMTBC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236575;MM236575;C=C(C)CC(F)CNCC;STWVKAMPXVQVBF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236576;MM236576;CCNCC(F)CC(=N)N;FOWMXAPWDPBHKZ-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236577;MM236577;C=NNCC(C)C1(O)CC1;IPLKNRKRJDOMLY-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236578;MM236578;CCOCC(O)CC(C)=O;WUJYITQRPUYOIP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236579;MM236579;CCOCC(O)CC(=N)N;SPVCNEHXTPEQQB-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236580;MM236580;CCOCC(O)CC(N)=O;FRWXPGRYCSRNKQ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236581;MM236581;C=C(C)CC(C)NCCC;LOSZKWZFWACNDJ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236582;MM236582;CC(CC(=N)N)NCCF;KTUNPCPTOXSOMG-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236583;MM236583;CC(CC(N)=O)OCCF;MCDBFRPNWUOLIA-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236584;MM236584;COCOC(C)CC(=N)N;BKMZSSAXTHWZGA-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236585;MM236585;NN=c1nc(O)n(O)o1;LQMSZTGLWCTUQC-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236586;MM236586;CCCCC(C)NC(=N)N;GRFCVDBGTVBGQS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236587;MM236587;CC(CCCN)NC(=N)N;WHKVWPHPZLPVIB-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236588;MM236588;CCCCC(C)NC(N)=O;CYMUIXDPMCIPKU-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236589;MM236589;CC(CCCN)NC(N)=O;NTGAHNHFMZVDGT-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236590;MM236590;CC(CCCO)NC(N)=O;AACQLVBSUDIFHB-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236591;MM236591;CNCCC(C)NC(C)=O;UUBOPQBCFOSBND-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236592;MM236592;CNCCC(C)NC(=N)N;HUPYYPFMTDTTNI-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236593;MM236593;CNCCC(C)NC(N)=O;SKLGJEFXZFKDFR-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236594;MM236594;COCCC(C)NC(C)=N;WGOIRUUYGSSERM-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236595;MM236595;COCCC(C)NC(=N)N;MZWZLHWCVGFWRW-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236596;MM236596;COCCC(C)NC(N)=O;WCSZPXREKZGUCS-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236597;MM236597;CCNCC(C)NC(=N)N;FKHHRIDURWAVTI-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236598;MM236598;CCNCC(C)NC(N)=O;AOPRLUSYNJNPCY-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236599;MM236599;CCOCC(C)NC(=N)N;GEGRWFSNHYKMST-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236600;MM236600;CCOCC(C)NC(N)=O;NSGBGLPKNXCUDA-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236601;MM236601;CC(CCCN)OC(=N)N;CYJPSPXMYGUOSD-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236602;MM236602;CC(CCCO)OC(=N)N;IOBFBSIILYSKBP-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236603;MM236603;C=C(C)OC(C)CCNC;LAFKESOVRKIZEA-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236604;MM236604;CNCCC(C)OC(=N)N;USJZMJYSLVMXBN-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236605;MM236605;CCNCC(C)OC(=N)N;BSBKMMSJPRRANY-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236606;MM236606;CCOCC(C)OC(=N)N;MMNTZPCQUGPBCC-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236607;MM236607;C=C(C)OC(C)OCCO;HPAJTMHGZVXMSM-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236608;MM236608;COCOC(C)OC(N)=O;YXSRTGIWJYVOOD-UHFFFAOYSA-N;149.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236609;MM236609;C=C(C)CN(C)CCCC;ZWDCDOZFAGVTNL-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236610;MM236610;C=C(C)CN(C)CCCN;MVOSPTCXXGMSIQ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236611;MM236611;C=C(C)CN(C)CCCF;OVHIQAVMGRRHCA-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236612;MM236612;CN(CCCN)CC(=N)N;ACSJBXCXJJOMPD-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236613;MM236613;CNCCN(C)CC(N)=O;PBLMVISVMGQNKW-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236614;MM236614;C=C(F)CN(C)CCNC;PZUZQPCKHZRPTC-UHFFFAOYSA-N;146.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236615;MM236615;CC(=N)NN(C)CCCF;HEYWWYHCCZFMFE-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236616;MM236616;CNN=C(CNC=O)NO;OICFZJUZMGMLAA-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236617;MM236617;CC(=NN)C(CO)=C(F)F;MYOIQGMBINLGBZ-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236618;MM236618;CN(CCCO)NC(N)=O;JMVGLPHVBKGNQT-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236619;MM236619;CNCCN(C)NC(C)=O;WMDRXFZASMTUGC-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236620;MM236620;CNCCN(C)NC(=N)N;UBIQWYNVEYHEHH-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236621;MM236621;COCCN(C)NC(=N)N;NCRBBEITOFMYCL-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236622;MM236622;COCCN(C)NC(N)=O;HHDRZGRKWVVCGK-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236623;MM236623;C=CCCC(C)CC(=N)N;WHHLDFFQCGVMHF-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236624;MM236624;CC(CCC#N)CC(=N)N;WKDJXMGNEXNCGF-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236625;MM236625;CN(O)C(C=O)=NN=CN;VFZUEAKJSWVVCY-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236626;MM236626;N#CC#Cc1nc(N)c[nH]1;TZEOMMLIPVNGPZ-UHFFFAOYSA-N;132.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236627;MM236627;CC(CCC#N)CC(N)=O;SFUCDLCICCHCEB-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236628;MM236628;C=CCCC(N)CC(=N)N;FPINPUQLXMGJCZ-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236629;MM236629;C=CCCC(O)CC(=N)N;OADQFKLTERVQJO-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236630;MM236630;C=CCCC(O)CC(N)=O;MMLJDUSCRIEWQK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236631;MM236631;C=C(C)CC(F)CCC=O;FPXCNYIAKLRLPI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236632;MM236632;C=CCCC(F)CC(=N)N;IIYVOFRPZVVTSA-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236633;MM236633;N=C(N)CC(F)CCC=O;MNMARPZZJNIKHL-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236634;MM236634;NC(=O)CC(F)CCC=O;UELCBMYTAOBNIC-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236635;MM236635;N=Cn1[nH]c(=N)n(O)c1=O;WRHIQMFBKGAQSV-UHFFFAOYSA-N;143.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236636;MM236636;N#CCCC(F)CC(=O)O;HTQLBAPNEPXXQQ-UHFFFAOYSA-N;145.13;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236637;MM236637;CC(CN=CN)CC(N)=O;NWZNWLDZZAFMSN-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236638;MM236638;C=C(C)CC(O)CNC=N;TUBQXWMJAPBFIX-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236639;MM236639;C=C(C)CC(O)CNC=O;RAEPWGGRXQETMQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236640;MM236640;C=NNCC(C)CC(=C)C;KSIORKOKIKAWBB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236641;MM236641;C#CC(C#N)=C(CO)NC;LTPIXPWTTPPVOC-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236642;MM236642;CC(COC=O)CC(=N)N;PAGBYQKXBGUVAF-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236643;MM236643;CC(COC=O)CC(N)=O;DJUWJCLUHSFVLE-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236644;MM236644;C=C(C)CC(N)COC=O;KMNXSTHNRUUCPU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236645;MM236645;C=C(C)CC(O)COC=O;NDVQLYZIJLXLKP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236646;MM236646;C=COCC(O)CC(=N)N;DSYQPPSFLHGXNV-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236647;MM236647;C=COCC(O)CC(N)=O;GZOFSQITFVHADB-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236648;MM236648;C=NOCC(C)CC(=N)N;QJEKKXIVMWJHBI-UHFFFAOYSA-N;143.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236649;MM236649;C=C(C)CC(C)NCC=O;DWMMKABMJLUNFI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236650;MM236650;C=CCNC(C)CC(=N)N;OVCYHCFROCXIQQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236651;MM236651;C=CCNC(C)CC(N)=O;GEFZKNDUBOWHMJ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236652;MM236652;C=C(C)CC(C)NNC=N;HHZKSDRGKXWQBI-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236653;MM236653;O=CC(=NC=CCO)NO;MNVOFXQWIWMAES-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236654;MM236654;C=CCOC(C)CC(=N)N;XWWROKWCSOUIHR-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236655;MM236655;C=CCOC(C)CC(N)=O;MKPYDZSKAXCAPP-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236656;MM236656;CC(CC(N)=O)OCC#N;HHIAHFDOHOJWEM-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236657;MM236657;Nn1cc(O)c(O)n1;NUPIUGREELHNFL-UHFFFAOYSA-N;115.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236658;MM236658;C=C(C)CC(C)ONC=N;VJLDKDOWOFMWDR-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236659;MM236659;C=C(C)CC(C)ONC=O;VSDGWVZZBWAAMN-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236660;MM236660;C=C(F)CC(C)ONC=N;HEDTVPURBVLOSU-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236661;MM236661;C=CCCC(C)NC(C)=N;UCIJLFBZUVBOBF-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236662;MM236662;CC(=N)NC(C)CCC#N;ICZGRNRPPWRGFH-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236663;MM236663;C=CCCC(C)NC(=N)N;HJHFFOVVFJIXFI-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236664;MM236664;CC(CCC=O)NC(=N)N;QCUFTODDATYJCN-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236665;MM236665;CC(CCC=O)NC(N)=O;XMFRFNALMJJBPN-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236666;MM236666;CC(CCC#N)NC(N)=O;KTQVGKZDCLNNFI-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236667;MM236667;CC(=O)NC(C)CN=CN;LOMVUTVJOAHAIL-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236668;MM236668;C=NNCC(C)NC(C)=N;GIYIJXQDTJCMQO-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236669;MM236669;C=COCC(C)NC(=N)N;JVWWDQCZGJXIJH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236670;MM236670;C=COCC(C)NC(N)=O;WTQHCPUFNNNVKC-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236671;MM236671;C=CCCC(C)OC(=N)N;PCAMKQFHQGVYKP-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236672;MM236672;CC(CCC=O)OC(=N)N;LEGNVNOIVPQYHS-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236673;MM236673;C=CCCC(C)OC(N)=O;GLRDGSMKMZCWJA-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236674;MM236674;CC(CCC=O)OC(N)=O;BQKDZYAVGLPQEH-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236675;MM236675;CC(=O)OC(C)CNC=O;CSENABKAYHHQDV-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236676;MM236676;C=NNCC(C)OC(=N)N;TUCBEFYUYCOURN-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236677;MM236677;CC(COC=O)OC(N)=O;NOKDXLZGCGNZOY-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236678;MM236678;C=NOCC(C)OC(=N)N;PFVAQLCRZNWGTC-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236679;MM236679;C=C(C)OC(C)OCC#N;ARISOVQMBBMTBR-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236680;MM236680;C=CCOC(C)OC(=N)N;QUYPBSIQQZOGCK-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236681;MM236681;CC(OCC#N)OC(N)=O;XSRNYRPUVZLNDK-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236682;MM236682;C=C(C)OC(C)ONC=N;YYAOXJZNPXDMSZ-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236683;MM236683;C=C(C)OC(C)ONC=O;KGBVERWLKAFSNA-UHFFFAOYSA-N;145.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236684;MM236684;C=CCCN(C)CC(=C)C;NJASMPYUTUVGKB-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236685;MM236685;N#CC12CC1N=C(NO)N2;MMVHETSDEHBUQH-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236686;MM236686;CN(CCC=O)CC(=N)N;ZEQGGADXQBGZBU-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236687;MM236687;CC(O)C1NC1(C)C#N;MRXYWBCBBMVDNR-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236688;MM236688;CN(O)C(=N)C(=O)CF;ARWAXYOUBSKUNE-UHFFFAOYSA-N;134.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236689;MM236689;C=C(F)CN(C)CCC#N;SPLGKTKRVMCWKJ-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236690;MM236690;CC(=O)NN(C)CCC=O;HZUZMTSQDJEVOK-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236691;MM236691;CC(=O)NN(C)CCC#N;LRSLUMZFFAZKDU-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236692;MM236692;CNN=C(CF)N(C)O;WIFHVTOXWLCCDH-UHFFFAOYSA-N;135.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236693;MM236693;C#CCCC(N)CC(=N)N;AWGOCIKWBDMTKM-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236694;MM236694;C#CCCC(N)CC(N)=O;QRHSOMBEXXCTID-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236695;MM236695;C#CCCC(O)CC(C)=O;YIYBCVOZZSMLHC-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236696;MM236696;C#CCCC(F)CC(=N)N;QRBCZIDSKCNBRX-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236697;MM236697;C#CCCC(F)CC(N)=O;CUJJSBCBPSBGBQ-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236698;MM236698;C#CCNC(C)CC(=C)C;HZQQYPRZWBDNJM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236699;MM236699;Nn1c(O)c(O)cnc1=O;FWJVEIFGFWPVFC-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236700;MM236700;C#CCCC(C)NC(C)=O;VALJMOMWNHGMGB-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236701;MM236701;C#CCCC(C)NC(=N)N;GRYSWDNCEPQQDD-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236702;MM236702;C#CCCN(C)CC(=N)N;KUXQBDJSHZYGEA-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236703;MM236703;C#CCCN(C)NC(N)=O;QBFVZVNQDBMJPW-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236704;MM236704;C=C(CCCF)CC(C)N;GAQSIEXSNCXTJU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236705;MM236705;C=C(CCCN)CC(C)O;VESDVBCESZHSAW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236706;MM236706;CC1CC(=NN)CC1O;PSBNDQYAIDSFST-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236707;MM236707;Nn1cc(CO)c(=O)o1;VFSKBEDOWCTWNY-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236708;MM236708;C=C(CCCN)CC(C)F;BWWZZCMEIFVUIK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236709;MM236709;C=C(CCCF)CC(C)F;YFLMWHUGOIYHOJ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236710;MM236710;C=C(CCCC)CC(F)F;CHTWSVHWKBEWDG-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236711;MM236711;C=C(CCCN)CC(F)F;PNFJKKBZKJYWOU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236712;MM236712;Nn1occ(CO)c1=O;SBMDPHGOTPBLNP-UHFFFAOYSA-N;130.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236713;MM236713;C=C(CCCF)CC(F)F;ZTOWOGUUAODSPZ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236714;MM236714;CC(C)CC(=O)CCCF;SDDQDRXLOJTXPY-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236715;MM236715;CC(O)CC(=O)CCCO;QRTZBNZKBSKERR-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236716;MM236716;CCCCC(=O)CC(F)F;ZTQSKANJSYWREV-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236717;MM236717;O=C(CCCO)CC(F)F;HHZBJYQXCUWOHJ-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236718;MM236718;O=C(CCCF)CC(F)F;QLDZCQZNGMWFOG-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236719;MM236719;C=C(CCNC)CC(C)C;HKDCULNNKXULQM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236720;MM236720;C=C(CCNC)CC(C)F;WQYFKILUZGYVDL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236721;MM236721;C=C(CCNC)CC(F)F;RPBRZGMJJHLPHY-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236722;MM236722;CNCCC(=O)CC(C)O;YMIBDXFNXMDFEQ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236723;MM236723;COCCC(=O)CC(F)F;NYFLGFRJERKHTJ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236724;MM236724;C=C(CNCC)CC(C)C;IQKOXNZHVQXHPK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236725;MM236725;C=C(CNCC)CC(C)F;KETYGLKLRMMJNX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236726;MM236726;C=C(CNCC)CC(F)F;CZNJHQZUKQXBFI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236727;MM236727;CCCNC(=N)CC(C)C;ZGZFKNQALLFCLU-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236728;MM236728;CCCNC(=N)CC(C)O;HROVQFYGPHKOAB-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236729;MM236729;CCCNC(=N)CC(C)F;PWDOCXIAADBRCU-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236730;MM236730;CC(F)CC(=N)NCCO;PHTZUMHPAVNQQO-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236731;MM236731;CCCNC(=N)CC(F)F;RQOVVYYFMHYIGC-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236732;MM236732;N=C(CC(F)F)NCCN;LXSWZKCJKWQMMM-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236733;MM236733;N=C(CC(F)F)NCCO;LGQCFPXNSVTREB-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236734;MM236734;CC(C)CC(=O)NCCN;RNEIBNDXCHWDBH-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236735;MM236735;CC(C)CC(=O)NCCO;UNTQHEZVCMSUQB-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236736;MM236736;CCCNC(=O)CC(C)N;AFIZMCQVKBFWSD-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236737;MM236737;NCCNC(=O)CC(F)F;ZRKFUEPBRYZPHC-UHFFFAOYSA-N;152.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236738;MM236738;CCNNC(=N)CC(C)C;PPNTZYLMLANJSH-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236739;MM236739;C#CC(C#N)=C(N)CO;VJZKFJXTDNHEAG-UHFFFAOYSA-N;122.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236740;MM236740;C=C(CC(F)F)OCCC;HHHVPVRHNFPJMQ-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236741;MM236741;CC(C)CC(=O)OCCO;ACMFZBFCYUCGEB-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236742;MM236742;CCCOC(=O)CC(C)N;IOGMRDQSMCQPRV-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236743;MM236743;CC(N)CC(=O)OCCF;KQBRBWGXNZVDND-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236744;MM236744;CC(O)CC(=O)OCCO;KMQUEPVQBLFJCQ-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236745;MM236745;CC(F)CC(=O)OCCN;PKGXWXXWCVETOQ-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236746;MM236746;CCCCC(=N)NC(C)C;XMTDLDSFDKHFPR-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236747;MM236747;CC(C)NC(=N)CCCF;DOFYYMOMQYSWTA-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236748;MM236748;CN(O)C(=NN)C(C)(C)F;QJWMOOWBNIZSPS-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236749;MM236749;CC(C)NC(=O)CCCN;GCEHHPZOPXCYDS-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236750;MM236750;CC(C)NC(=O)CCCF;WJTPAWQWENKYCM-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236751;MM236751;CCCNC(=N)NC(C)C;CBNCZPJYYAMLOQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236752;MM236752;CC(C)NC(=N)NCCN;AQPLIEQAXDULHC-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236753;MM236753;CC(C)NC(=O)NCCO;DAKOBRCVZSHYST-UHFFFAOYSA-N;146.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236754;MM236754;CC(C)OC(=O)CCCO;YBELLQGHZRJPKL-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236755;MM236755;C=C(CCNC)OC(C)C;BWOCZUYUTZRIDH-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236756;MM236756;CNCCC(=O)OC(C)C;PHYDWZPYHFYONZ-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236757;MM236757;CCCNC(=N)OC(C)C;ZBRJSCXFPVPGOR-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236758;MM236758;CC(C)OC(=N)NCCN;QSQXCWMTCZRTQX-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236759;MM236759;CCCNC(=O)OC(C)C;FGOAGQOXCGVTAT-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236760;MM236760;C=C(CCCC)CN(C)C;XCUGRSYKIINQTC-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236761;MM236761;C=C(CCCF)CN(C)C;BOELCPJAIPXGRI-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236762;MM236762;CN(C)CC(=N)NCCN;ACMMJSBIETZVHG-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236763;MM236763;CN(C)CC(=N)NCCO;JSABFSPBHJNMMU-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236764;MM236764;CN(C)CC(=O)NCCN;USWWOHILWWCQDU-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236765;MM236765;CN(C)NC(=N)CCCO;OAAJUYWIURQEMR-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236766;MM236766;CN(C)NC(=N)CCCF;LDCNKGRRQCIHCM-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236767;MM236767;CCNC(CO)C(F)(F)F;XDXFIBMVCQKMPG-UHFFFAOYSA-N;157.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236768;MM236768;CN(C)NC(=O)CCCN;LNGWPJUGBJLLSD-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236769;MM236769;CN(C)NC(=O)CCCF;DENAIRVMRCUXMW-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236770;MM236770;CNCCC(=O)NN(C)C;RXKUZYLRCBQXIB-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236771;MM236771;CC(C)(O)CNN=CNO;JHIXIFJJWYDNKL-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236772;MM236772;CN(C)NC(=O)NCCO;VDBLHAYZSPFFIN-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236773;MM236773;CN(C)NC(=O)OCCO;QAFRSXKMNKKAOK-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236774;MM236774;C=C(CCC=O)CC(C)C;SSYJCIUAPVZNAM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236775;MM236775;CNN=CC(F)(F)C(C)=O;GSLJCMVBMJVDSO-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236776;MM236776;C=C(CCC=O)CC(C)F;BZJOXJCBIKWVRD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236777;MM236777;C=CCCC(=C)CC(F)F;IDMZTQDCGSVEDC-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236778;MM236778;C=C(CCC=O)CC(F)F;VZGMMIQWBHZQDG-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236779;MM236779;C=CCCC(=O)CC(C)O;GBAWHEJTJQXQEZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236780;MM236780;CC(O)CC(=O)CCC#N;ASABXDJTKNXGFN-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236781;MM236781;C=CCCC(=O)CC(C)F;OTWMEXGBAZPJTP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236782;MM236782;C=CCCC(=O)CC(F)F;YXNFUZHWZDDOAZ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236783;MM236783;N#CCCC(=O)CC(F)F;LNAAOINIPOODAY-UHFFFAOYSA-N;147.12;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236784;MM236784;C=C(CNC=N)CC(C)C;ZLNVVYJCVSVTHO-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236785;MM236785;C=NNCC(O)CC(C)C;OITRCWMWPITOLC-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236786;MM236786;C=C(CNC=O)CC(C)N;YOSVRDAPSPSLRX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236787;MM236787;C=C(CNC=N)CC(C)O;RUCSQNCKCSUWOG-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236788;MM236788;C=C(CNC=N)CC(C)F;QWTUBZSAAOIKFY-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236789;MM236789;CON=CN(O)CC(F)F;LEMXRGPCBUDZSI-UHFFFAOYSA-N;154.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236790;MM236790;CC(C)CC(=O)CN=CN;PFPAFCNBSXHCIN-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236791;MM236791;CC(F)CC(=O)CN=CN;WFKLGBIFIGMEBB-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236792;MM236792;CC(F)CC(=O)CNC=O;PSDPGRBLXGVXNV-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236793;MM236793;C=NNCC(=C)CC(C)C;VOXLRRSNRKSXHZ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236794;MM236794;C=NOCC(=C)CC(C)F;JFCMLROADMNGDI-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236795;MM236795;CC(C)CC(=N)NCC=O;AZZIONMQOHSBDC-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236796;MM236796;C=CCNC(=N)CC(C)F;UKTJYMWUKNYBBF-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236797;MM236797;CC(F)CC(=O)NCC=O;QBGQCNHUQQDBNE-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236798;MM236798;C=CCNC(=O)CC(F)F;JQPMKTMEZLJPSI-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236799;MM236799;CC(C)CC(=N)NNC=N;CLESPFYIMDXNOV-UHFFFAOYSA-N;142.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236800;MM236800;CC(C)CC(=N)NNC=O;MDKFVCMDNVBSBU-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236801;MM236801;CC(C)CC(=O)NNC=O;SLCXMLOHCCFVFZ-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236802;MM236802;CC(N)CC(=O)NN=CN;NCFCHFHLAYRKBA-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236803;MM236803;CC(O)CC(=O)NN=CN;LTANUVXGHOXFRO-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236804;MM236804;C=C(CC(C)O)OCC#N;OLPLHHPEIVFJAP-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236805;MM236805;CC(O)CC(=O)OCC#N;GMRARTFCBGVKHP-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236806;MM236806;O=CCOC(=O)CC(F)F;HMXWPSXUNYTNRQ-UHFFFAOYSA-N;152.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236807;MM236807;N#CCOC(=O)CC(F)F;OTDODWBXSVYWSX-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236808;MM236808;CC(N)CC(=O)ON=CN;YKZLQYUVXKOSTK-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236809;MM236809;CC(N)CC(=O)ONC=O;LQFFNXRQUOBRLE-UHFFFAOYSA-N;146.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236810;MM236810;C=NN=CN(O)CC(F)F;NUNFWASUOHVPND-UHFFFAOYSA-N;151.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236811;MM236811;C=CCCC(=N)NC(C)C;GLOOHRYJKBHRQX-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236812;MM236812;CC(C)N=C(N)CCC=O;JCZXLMZUKSLIIK-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236813;MM236813;C#CCN(O)C=NC(C)C;FIRQDCJUMARJOR-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236814;MM236814;C=C(CCC=O)OC(C)C;NSMYTWNQHPQMGE-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236815;MM236815;C=CCCC(=O)OC(C)C;DAGPKYGPLKMJEJ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236816;MM236816;CC(=O)C(F)C(=N)N(C)O;OBOJGKRGEKIJQQ-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236817;MM236817;C=CCOC(=O)OC(C)C;IIJLDCGYIVTFPG-UHFFFAOYSA-N;144.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236818;MM236818;C=CCCC(=C)CN(C)C;MBPGOSBZZQKOJU-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236819;MM236819;C=C(CNC=O)CN(C)C;MFHKPMKTZUFLND-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236820;MM236820;CN(C)CC(=O)CN=CN;WFCGQEGRSUADEZ-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236821;MM236821;CN(C)CC(=N)NCC#N;YBFVOXHOXYUVJW-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236822;MM236822;CN(C)CC(=N)NNC=N;DKDCGQGAWJJCQU-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236823;MM236823;CN(C)C(=O)C(=N)N(C)O;IHSSNBUIYNUHGB-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236824;MM236824;C=CCCC(=N)NN(C)C;IXBXKEUOIYNEHT-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236825;MM236825;CN(C)NC(=O)CCC=O;YTKBDQKJNGLZLR-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236826;MM236826;CN(C)NC(=N)NCC#N;PNQHNTSZEBNFLX-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236827;MM236827;C=CCNC(=O)NN(C)C;WYSONWFXUAPSRE-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236828;MM236828;CN(C)NC(=O)NCC=O;XLCFXIYFXRZGMN-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236829;MM236829;CN(C)NC(=O)NNC=O;AVQDXSNDRYVOTL-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236830;MM236830;C=CCOC(=O)NN(C)C;SOCINVVUFFYHGW-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236831;MM236831;C#CCCC(=O)CC(C)O;QPAWMLUYDKGDPK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236832;MM236832;C#CCNC(=N)CC(C)F;QRMFHKDLFMNMNP-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236833;MM236833;C#CCNC(=O)CC(C)C;RZCXLBBGSUKRHG-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236834;MM236834;C#CCNC(=O)CC(C)F;NVWNXYUQLYLNQZ-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236835;MM236835;C#CCNC(=O)CC(F)F;WKDBVNZMEDCAQQ-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236836;MM236836;C#CCOC(=O)CC(C)N;MJNHVJXSTXDXTP-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236837;MM236837;C#CCCC(=N)NC(C)C;CSSAKARJQTWHEF-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236838;MM236838;C#CCOC(=O)OC(C)C;ZUOYMEOVGZXWSU-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236839;MM236839;C#CCCC(=N)NN(C)C;KPFGURSHSVDNIG-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236840;MM236840;C#CCNC(=N)NN(C)C;GAIPTPBDQMOTHX-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236841;MM236841;C#CCNC(=O)NN(C)C;CGMYZGAFMIPQDY-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236842;MM236842;C=C(C)CC(=C)CCCF;DVXUTWMINSMZQU-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236843;MM236843;C=C(CCCF)CC(C)=O;JZXWUYSPSUZACD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236844;MM236844;C=C(CCCC)CC(=N)N;VRLHFYXXTXPMIH-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236845;MM236845;C=C(CCCN)CC(=N)N;MAXKKFJFASOQMN-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236846;MM236846;C=C(CCCO)CC(=N)N;JCCDGRDXOAHGQW-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236847;MM236847;CC(=O)C(=O)C(=N)N(C)O;QAGXCRRZHNLULK-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236848;MM236848;C=C(CCCN)CC(N)=O;ODVJOFDWSOFQLJ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236849;MM236849;CCCC(O)CN(N)C=O;WBZGVZHJTFKCMH-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236850;MM236850;C=C(CCCC)CC(=O)O;DURJBIVOBGHCHY-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236851;MM236851;C=C(CCCF)CC(=O)O;OKUCZLKNSWUNIO-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236852;MM236852;C=C(F)CC(=C)CCCN;IETGVJSYQXFPQT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236853;MM236853;CNN=CCC#CC(N)=O;NPOOIOJIBCAXPO-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236854;MM236854;C=C(F)CC(=C)CCCF;MZXSLMFPYMWRCS-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236855;MM236855;C=C(C)CC(=O)CCCF;JDRHZHWIYIGSAK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236856;MM236856;CCCCC(=O)CC(=N)N;IIULJXJUVZRHMY-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236857;MM236857;N=C(N)CC(=O)CCCF;MWYYSDNTBAEHPN-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236858;MM236858;C=C(F)CC(=O)CCCF;OBTBSSWHVMPHCP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236859;MM236859;C=C(CCNC)CC(=N)N;WBIDSWJAYBMFLZ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236860;MM236860;C=C(CCNC)CC(N)=O;BKIRVIXFWCHHEP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236861;MM236861;C=C(F)CC(=C)CCNC;RSXFDFSCOAMUTC-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236862;MM236862;CNCCC(=O)CC(=N)N;FLODWUCYWDYHDE-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236863;MM236863;CNCCC(=O)CC(N)=O;FEXJHCIVNDEHSH-UHFFFAOYSA-N;144.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236864;MM236864;C=C(CNCC)CC(N)=O;NSMKZVWKWNXVIT-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236865;MM236865;C=C(COCC)CC(N)=O;AIQPBXNCLBPMGM-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236866;MM236866;C=C(C)CC(=N)NCCC;RFBDTCCEDHUJKF-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236867;MM236867;CC(=O)CC(=N)NCCO;MCPLBXYJGGILOE-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236868;MM236868;CCCN=C(N)CC(N)=O;MDCSAMLTDXGWFL-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236869;MM236869;C=C(F)CC(=N)NCCN;YJMTZMYYMBREDE-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236870;MM236870;CC(=O)CC(=O)NCCO;CYLHYHWFVOHKMK-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236871;MM236871;C=C(F)CC(=O)NCCN;CQTRBHSGUIULIX-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236872;MM236872;C=C(F)CC(=O)NCCO;CLQMTTFVZMEVFX-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236873;MM236873;O=C(O)C=CN1CC1;LTEFBKSMNLOQAR-UHFFFAOYSA-N;113.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236874;MM236874;NN=CN(O)CCNC=O;YCKGFGUWCJSESF-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236875;MM236875;CCC(=NN)C(C)C(=O)O;HZIYCGROYBLXSQ-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236876;MM236876;C=C(CC(=N)N)OCCO;SIWPIKPESOLVTO-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236877;MM236877;C=C(CC(N)=O)OCCO;AAVBSGUIEHOZQO-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236878;MM236878;C=C(CC(N)=O)OCCF;MKQQQIRDXWYCEH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236879;MM236879;C=C(F)CC(=C)OCCN;ZAUQMYWIJNAEOZ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236880;MM236880;NC(=O)CC(=O)OCCO;FZKSOLOMFMXCHR-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236881;MM236881;C=C(F)CC(=O)OCCN;LXFXJTQWMFRLAI-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236882;MM236882;C=C(CC(=N)N)OCOC;YQPVADGWRITKFB-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236883;MM236883;COCOC(=O)CC(=N)N;NXWCBDZZXMKNGK-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236884;MM236884;COCOC(=O)CC(N)=O;JUIWQXDJUHATDK-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236885;MM236885;C=C(CCCN)NC(C)=N;RFUUIOXRERYCIV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236886;MM236886;C=C(CCCF)NC(C)=N;MAKWHWGFEFGYRO-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236887;MM236887;C=C(CCCC)NC(C)=O;OJZNDSKLGZBUIQ-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236888;MM236888;C=C(CCCN)NC(C)=O;CUUHCLWLJSDHHH-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236889;MM236889;C=C(CCCF)NC(C)=O;UKNBGOBMFKPGDP-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236890;MM236890;C=C(CCCC)NC(=N)N;AUWDLKKBXYQVSK-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236891;MM236891;C=C(CCCN)NC(=N)N;AVTIWWMOJSGLEN-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236892;MM236892;C=C(CCCN)NC(N)=O;LSHKHAUODUZWOX-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236893;MM236893;C=C(CCCF)NC(N)=O;PVBOYMUYFXLFPN-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236894;MM236894;C=C(C)NC(=N)CCCC;KSWYNXUYVHVISC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236895;MM236895;C=C(C)NC(=N)CCCN;ZJIHPKJBLMYXEW-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236896;MM236896;C=C(C)NC(=N)CCCF;VOBRCSGDMSEOHM-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236897;MM236897;C#CCN(O)C=NCCF;OQTZNZPTPXHQKZ-UHFFFAOYSA-N;144.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236898;MM236898;C=CCC(O)C=CC=NN;XXBJKTWBOWFXGL-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236899;MM236899;N=C(N)NC(=N)CCCF;VKQBNRGJLQYTDM-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236900;MM236900;C=CC(=NN)C(=C)C(C)O;FAHDAAUDBWETLQ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236901;MM236901;C=C(C)NC(=O)CCCC;HCYJTJWJOGKLQI-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236902;MM236902;C=C(C)NC(=O)CCCN;BDEBPULQSQNESB-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236903;MM236903;N=C(C(N)=O)N(N)C=CF;RNWPOVRKOIVPQH-UHFFFAOYSA-N;146.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236904;MM236904;CCC1(C#N)NC1C(C)O;QXZYEDKFJFTXBG-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236905;MM236905;C=C(CCNC)NC(C)=N;YSJRNUAQUPLRPP-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236906;MM236906;C=C(CCNC)NC(C)=O;GECYSQULOMTTPE-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236907;MM236907;C=C(CCNC)NC(=N)N;CJQHRPSVKGSYNU-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236908;MM236908;C=C(CCNC)NC(N)=O;UNWBSCMDFRHFGQ-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236909;MM236909;COCCC(=O)NC(C)=O;SDOHZEFKNGOBAP-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236910;MM236910;COCCC(=O)NC(N)=O;JUQLOKDFGIXBLY-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236911;MM236911;CCNCC(=N)NC(C)=N;JIHGBAGULQIJSO-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236912;MM236912;CCNCC(=N)NC(=N)N;AQPKHNKNUPHWGP-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236913;MM236913;CCOCC(=N)NC(C)=N;OUMUHIKFTUTYCB-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236914;MM236914;CCOCC(=N)NC(N)=O;HOZVEUCGMYEFBR-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236915;MM236915;CCOCC(=O)NC(C)=O;RLICZPUGOSIOHH-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236916;MM236916;CCOCC(=O)NC(=N)N;JXYSNEPXPLFQGF-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236917;MM236917;C=C(C)NC(=N)NCCC;ONPOISPBVHAXJF-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236918;MM236918;C=C(C)NC(=N)NCCN;GUVRDUGFZQTWCG-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236919;MM236919;C=C(C)NC(=N)NCCO;DLEZVNJUHZFJKX-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236920;MM236920;CC(=O)NC(=N)NCCO;UANSCCUYNCWXHJ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236921;MM236921;N=C(N)NC(=N)NCCN;CTXFBCDCSUDHIJ-UHFFFAOYSA-N;144.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236922;MM236922;N=C(N)NC(=N)NCCO;XDHJUHMPLHSWKN-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236923;MM236923;N=C(NCCO)NC(N)=O;RZKPLVWELWAFMT-UHFFFAOYSA-N;146.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236924;MM236924;C=C(C)NC(=O)NCCC;SUGLUKFVHMIGJP-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236925;MM236925;C=C(C)NC(=O)NCCO;AODKTOXILLRQIN-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236926;MM236926;C#CC1(CF)NC1C(C)O;GDDVPALNBYFFGW-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236927;MM236927;CCCNC(=O)NC(=N)N;BOQXOYMDSUVHPE-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236928;MM236928;N=C(N)NC(=O)NCCN;HVQPMQSZPXSUNL-UHFFFAOYSA-N;145.17;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236929;MM236929;N=C(N)NC(=O)NCCO;IGMMSDYPIOKFHK-UHFFFAOYSA-N;146.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236930;MM236930;NC(=O)NC(=O)NCCO;WTLONVBIHKMSHB-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236931;MM236931;CCNNC(=N)NC(C)=N;BUKCQWSRNPQWNH-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236932;MM236932;C=CC(O)CC1(C#N)CN1;GBMNOTODLAWLDG-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236933;MM236933;C#CC1(CC(O)C=C)CN1;RDRWCKPQRSMBOJ-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236934;MM236934;C=C(NC(C)=N)OCCC;CTRZGABZOFHRBX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236935;MM236935;C=C(NC(C)=N)OCCO;IWJOICWUKKSGRU-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236936;MM236936;C=C(NC(=N)N)OCCN;DODMMHIDZVOCME-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236937;MM236937;C=C(NC(=N)N)OCCO;XRZJGGPAJYCUHP-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236938;MM236938;C=C(NC(N)=O)OCCC;VJPUPXCMSCXPCX-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236939;MM236939;C=C(NC(N)=O)OCCN;OJRFACMSGLSAPY-UHFFFAOYSA-N;145.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236940;MM236940;C=C(NC(N)=O)OCCO;HOCOLDWBZWWNMX-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236941;MM236941;N=C(N)NC(=N)OCCO;RWTSWGNXGDYMTI-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236942;MM236942;CCCOC(=N)NC(N)=O;DJFIOPIYXVZLFK-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236943;MM236943;N=C(NC(N)=O)OCCO;FUHMBCHOBYEJFT-UHFFFAOYSA-N;147.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236944;MM236944;C=C(C)NC(=O)OCCN;JAEMHABLKZGJGB-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236945;MM236945;CC(=N)NC(=O)OCCN;BQJAGNYKAURGGE-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236946;MM236946;NC(=O)NC(=O)OCCO;AZCPCPLHKCEVKD-UHFFFAOYSA-N;148.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236947;MM236947;C=C(NC(=N)N)OCOC;GHMQURGQSRLBAB-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236948;MM236948;C=C(NC(N)=O)OCOC;MPGKUYXHRKPGDB-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236949;MM236949;COCOC(=N)NC(C)=N;SZWPXPWFPBGIBZ-UHFFFAOYSA-N;145.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236950;MM236950;COCOC(=N)NC(=N)N;YBSNSLBRSSYVNU-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236951;MM236951;C=C(C)OC(=C)CCNC;QXWGNCTVTIUFKJ-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236952;MM236952;C=C(C)OC(=O)CCNC;WOVBRJKFBCFXIC-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236953;MM236953;N=C(N)OC(=N)NCCN;MVUKFBRDCSUUQK-UHFFFAOYSA-N;145.17;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236954;MM236954;N=C(N)OC(=O)NCCN;JDMIKJSPLRORPV-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236955;MM236955;C=C(C)OC(=O)OCCO;HQUBREPSCFNNPY-UHFFFAOYSA-N;146.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236956;MM236956;C=C(C)OC(=O)OCOC;MGGNUNNMXUXESD-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236957;MM236957;C=C(C)CC(=C)CCC=O;MHPSOSVGUNIJLY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236958;MM236958;C=C(CCC=O)CC(C)=O;BSOGVCNAGFFLDJ-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236959;MM236959;C=CCCC(=C)CC(=N)N;GXXRCZJOVGAPMO-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236960;MM236960;C=C(CCC=O)CC(=N)N;JMKMHPNVKAADGY-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236961;MM236961;C=C(CCC#N)CC(=N)N;JGLZJLIEBKUYFR-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236962;MM236962;C=C(CO)N(N)C(=O)CC;SMGRTSIMWVNSKG-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236963;MM236963;C=C(CCC=O)CC(N)=O;AOSMGVVTHHIMHI-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236964;MM236964;C=CCCC(=C)CC(=O)O;ODSFLUOTMXDQNS-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236965;MM236965;C=C(F)CC(=C)CCC=O;BPSGZLVZUDSYHE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236966;MM236966;C=CCCC(=O)CC(=C)C;IALNTPPVDRNFPA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236967;MM236967;C=CCCC(=O)CC(=C)F;GFUIKCPOTJVMTQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236968;MM236968;C=C(F)CC(=O)CNC=N;NWYLBBBPIKWWDD-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236969;MM236969;C=NNCC(=O)CC(C)=O;KQMYAFNGWKULFL-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236970;MM236970;C=COCC(=O)CC(C)=O;IYNYUBXFILZQTR-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236971;MM236971;C=CC(=O)N(N)C(=C)CO;RVCCXYMEPYBVSE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236972;MM236972;CC(=O)CC(=N)NCC#N;ANRZMTBYZNOAQO-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236973;MM236973;C=CCNC(=N)CC(=N)N;ZHMLLQWHAMQXDB-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236974;MM236974;N#CCNC(=N)CC(=N)N;ZZGAHXDBCWXPBG-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236975;MM236975;C=CCNC(=N)CC(N)=O;WDERSIWMGXZCRP-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236976;MM236976;N#CCNC(=N)CC(N)=O;VJKKDWQODMHNLR-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236977;MM236977;C=CCNC(=N)CC(=C)F;JPAOWBSBMUBMOX-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236978;MM236978;C=C(F)CC(=N)NCC#N;OAANVFHGKOAWMX-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236979;MM236979;C=CCNC(=O)CC(=C)C;KBYMMPMCFKOVLB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236980;MM236980;C=CCNC(=O)CC(=N)N;KNXKBRLYSRRGEW-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236981;MM236981;N#CCNC(=O)CC(=N)N;XAHCWAZTRPSWKA-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236982;MM236982;N#CCNC(=O)CC(N)=O;SHVYRXROLCPGEF-UHFFFAOYSA-N;141.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236983;MM236983;C=COCCCC(=O)O;QGGMKWXOKZTWCQ-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236984;MM236984;CNC(=O)OC(C#N)=NO;FJFADJKZXLKGAY-UHFFFAOYSA-N;143.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236985;MM236985;C=CCNC(=O)CC(=C)F;XYVICBKZGKLRFT-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236986;MM236986;C=C(F)CC(=O)NCC#N;LHFDIDJLGHKQPW-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236987;MM236987;C=C(C)CC(=N)NNC=O;VUSHUBYHAJHYOH-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236988;MM236988;N=CNNC(=N)CC(=N)N;FQEFKVUYAIDEBK-UHFFFAOYSA-N;142.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236989;MM236989;O=c1[nH]c(F)c(O)c(=O)o1;XVUZCTYKGDGHKO-UHFFFAOYSA-N;147.06;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236990;MM236990;C=C(C)CC(=O)NN=CN;QUQXGZVUXJKIHG-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236991;MM236991;C=C(F)CC(=O)NNC=O;URTHTJFZKDELMJ-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236992;MM236992;Cc1nc(=N)nnc(=O)[nH]1;IOHPQRZNHPESNN-UHFFFAOYSA-N;139.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236993;MM236993;C=CCOC(=C)CC(=N)N;CSPMKQWWTAJLHT-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236994;MM236994;C=C(CC(=N)N)OCC#N;HIUPNZXAGUWIDL-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236995;MM236995;C=CCOC(=O)CC(=C)C;CTNUGKUXQNKHFN-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236996;MM236996;C=CCOC(=O)CC(C)=O;AXLMPTNTPOWPLT-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236997;MM236997;N#CCOC(=O)CC(=N)N;LSEILORFTPQEKL-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236998;MM236998;Cc1nc(F)c(O)o1;FOLJFHBCEZIMJO-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM236999;MM236999;CCc1nc(=O)o[nH]1;XDAARBVMIPYNNG-UHFFFAOYSA-N;114.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237000;MM237000;C=CCOC(=O)CC(=C)F;KQRNZADBWALJEF-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237001;MM237001;C=C(F)CC(=O)OCC=O;ZHWGRUIAWWKEKX-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237002;MM237002;C=C(F)CC(=O)OCC#N;NFMBJCZODMKNQH-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237003;MM237003;N=CNOC(=O)CC(=N)N;XAIJSAYMTWPRJI-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237004;MM237004;O=Cc1cc(O)no1;MTVFKTPLKNPKCM-UHFFFAOYSA-N;113.07;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237005;MM237005;O=Cc1nnc(O)n1O;XUZCKLXCDWKZRH-UHFFFAOYSA-N;129.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237006;MM237006;C=CCCC(=C)NC(C)=N;GXCLCDFGJIATDY-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237007;MM237007;C=CCCC(=C)NC(N)=O;NFKMOUXBYOGBCR-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237008;MM237008;C=CCCC(=N)NC(=C)C;QNORISUURBTTNU-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237009;MM237009;C=C(C)N=C(N)CCC=O;FSALBIDHVLJSHJ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237010;MM237010;CC(=N)N=C(N)CCC=O;VGVUMGICHWMOLG-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237011;MM237011;CC(=N)NC(=N)CCC#N;CPNUAEPTDCJUOU-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237012;MM237012;C#CC(=O)N(N)C(=C)CO;DYZHCPAFCPWDCM-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237013;MM237013;C=CCCC(=N)NC(=N)N;QMBQHQWJPLRVFT-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237014;MM237014;C=CCCC(=O)NC(=C)C;JGYGXLIDIKJWJO-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237015;MM237015;CCC(F)C(=NN)N(C)O;SVMUAAUSXFVZQF-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237016;MM237016;CC(=O)NC(=O)CCC=O;QAJJUQWWVVGASA-UHFFFAOYSA-N;143.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237017;MM237017;CC(=O)NC(=O)CCC#N;NELDDHWZELJLJG-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237018;MM237018;N#CCCC(=O)NC(N)=O;VMZKLEGLLDYANM-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237019;MM237019;CC(=N)NC(=O)CN=CN;MXEZIEXQEUOPIQ-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237020;MM237020;C=NNCC(=C)NC(C)=N;BTYULFVCOSUTJC-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237021;MM237021;COC(C)C(=NN)N(C)O;AFCBHLSMFZRWGX-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237022;MM237022;C=NNCC(=C)NC(=N)N;SGXOTTFNXRKOJS-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237023;MM237023;C=NNCC(=N)NC(=C)C;NTZXKDWWXAKSTO-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237024;MM237024;CN(O)C(=NN)C(F)=CF;NCTPEJDCYMMNIY-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237025;MM237025;C=NOCC(CO)=C(F)F;SKEGWSADYYCAPH-UHFFFAOYSA-N;151.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237026;MM237026;C=C(COC=O)NC(=N)N;GETDKZHWVGZGBW-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237027;MM237027;C=COCC(=C)NC(N)=O;PVPHGFYNKUXXIW-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237028;MM237028;C=COCC(=N)NC(N)=O;VZDUCRXGNLSTRU-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237029;MM237029;C=C(C)NC(=O)COC=O;SIUHMNYNMOKAEH-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237030;MM237030;C=COCC(=O)NC(=N)N;YRXHYQBNIRNJRQ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237031;MM237031;N=C(N)NC(=O)COC=O;DSDHNUPPWNVVNY-UHFFFAOYSA-N;145.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237032;MM237032;C=COCC(=O)NC(N)=O;WZKUYCSCDMFGGE-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237033;MM237033;CNc1nc(=O)cnn1C;IDBSEOXOUKBRIL-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237034;MM237034;N#CCNC(=N)NC(=N)N;PARKLDJJLFMSHK-UHFFFAOYSA-N;140.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237035;MM237035;N=C(NCC=O)NC(N)=O;AMNGNUKOKQZMAY-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237036;MM237036;C=C(C)NC(=O)NCC=O;RGKSKYVLIXNPFA-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237037;MM237037;CC=C(CO)N(C=N)C=O;VNMULDXJXSXSEN-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237038;MM237038;OCC(CF)NN=CNO;OGIHKTAIKHLQRD-UHFFFAOYSA-N;151.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237039;MM237039;CC(=O)NC(=O)NCC#N;OKELQWDJCCWTGA-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237040;MM237040;N=C(N)NC(=O)NCC=O;FNUOPMAMWCKPNJ-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237041;MM237041;NC(=O)NC(=O)NCC=O;QJXQEUDFYXSFQF-UHFFFAOYSA-N;145.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237042;MM237042;C=C(C)NC(=N)NNC=O;DBMRIFJZSBRNSX-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237043;MM237043;CC(=N)NC(=N)NNC=N;QWLRVYLXEAZRFI-UHFFFAOYSA-N;142.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237044;MM237044;N=CNNC(=N)NC(N)=O;DYMYYYGLWZYGTI-UHFFFAOYSA-N;144.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237045;MM237045;N#CC(C=NO)C(F)(F)F;UXKUBGMDWOWSDB-UHFFFAOYSA-N;152.08;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237046;MM237046;N=CNNC(=O)NC(=N)N;DXGWQUSRLHRAJY-UHFFFAOYSA-N;144.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237047;MM237047;N=C(N)NC(=O)NNC=O;ZNNIHHLSMZZDSF-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237048;MM237048;N=CNNC(=O)NC(N)=O;FDFYGAGZQRMYAO-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237049;MM237049;N#CC(CNNC=O)=NO;LQGNCYMHQLLZND-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237050;MM237050;N=C(N)NC(=N)NOC=O;POFCYIXJMDPVOX-UHFFFAOYSA-N;145.12;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237051;MM237051;CC(=O)NC(=O)NOC=O;DNPDJJJSLGNFSB-UHFFFAOYSA-N;146.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237052;MM237052;N=C(N)NC(=O)NOC=O;GLOYHUXVJMNBBD-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237053;MM237053;C=CCOC(=C)NC(C)=N;WECLZPKFQLJTMT-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237054;MM237054;C=C(NC(C)=O)OCC=O;QFNOBMXHSLJDBO-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237055;MM237055;C=C(NC(=N)N)OCC=O;AXDLUAZVBVNZBS-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237056;MM237056;C=CCOC(=C)NC(N)=O;WJUWREOUOBHVCL-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237057;MM237057;C=CCOC(=N)NC(=C)C;GAKOCDDLFXEDTI-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237058;MM237058;C=CCOC(=N)NC(C)=N;NXWMNVITRSLTSW-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237059;MM237059;C=CCOC(=N)NC(C)=O;PHQGWVCAVRHBNK-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237060;MM237060;N=C(N)NC(=N)OCC=O;HDLITIXSOXZYDJ-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237061;MM237061;C=CCOC(=N)NC(N)=O;UQWRVCMKZVCXFH-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237062;MM237062;N=C(NC(N)=O)OCC=O;OJZUXUKXXWPHRZ-UHFFFAOYSA-N;145.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237063;MM237063;C=CCOC(=O)NC(=C)C;MSOOYLIFOANRHF-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237064;MM237064;C=C(C)NC(=O)OCC=O;ASJGJRIHOAPVNC-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237065;MM237065;C=CCOC(=O)NC(C)=N;BJFBKFBDTXKUCG-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237066;MM237066;CC(=N)NC(=O)OCC=O;YFBIIWLUSKPZJR-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237067;MM237067;C=CCOC(=O)NC(C)=O;JKJRYBKWBOZJKX-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237068;MM237068;NC(=O)NC(=O)OCC=O;UODYCBLJZRGYLO-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237069;MM237069;CC(=N)NC(=N)ONC=N;FZTCUGHOESVUDU-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237070;MM237070;C=CN1C=NC(=NCC)C1;KXPNIFZVILBCOB-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237071;MM237071;N=CNOC(=N)NC(=N)N;SNAMSMVZNHNYAT-UHFFFAOYSA-N;144.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237072;MM237072;N#CCC1CNC(NO)=N1;RTJGKGUUQJFVCA-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237073;MM237073;CC(=O)NC(=O)ONC=O;VZQWXZFZCCQAGV-UHFFFAOYSA-N;146.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237074;MM237074;NC(=O)NC(=O)ONC=O;OSFHISBRIRPENM-UHFFFAOYSA-N;147.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237075;MM237075;C=C(C)OC(=C)CCC=O;CUZQMTHYPXTIMM-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237076;MM237076;C=C(C)OC(=O)CCC=O;UELGQOKODBOLTE-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237077;MM237077;C=C(C)OC(=C)CNC=N;HWSHBIOYIVBGON-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237078;MM237078;C#CCN(O)C=NC1CC1;AXZKXRQXALRTCD-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237079;MM237079;N=c1nnoc(N)c1CO;VZRHWALFOUEBOG-UHFFFAOYSA-N;142.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237080;MM237080;N=CNNC(=N)OC(N)=O;LKZVWCJWWNJDNU-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237081;MM237081;C=CCOC(=O)OC(=C)C;SMMAKYHPZVNJCA-UHFFFAOYSA-N;142.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237082;MM237082;C=C(C)OC(=O)OCC#N;PPOIUKIJDIUVDM-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237083;MM237083;C#CCCC(=C)CC(=N)N;BNENPJUQUYRBDQ-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237084;MM237084;C#CCCC(=C)CC(N)=O;PMGUAPYEQPBSIL-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237085;MM237085;C#CCCC(=O)CC(C)=O;JPJOLOMJDMZHBY-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237086;MM237086;C#CCCC(=O)CC(=N)N;VBUREFTYVROFMQ-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237087;MM237087;C#CCNC(=N)CC(=N)N;JJNNLVMZBOOQTA-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237088;MM237088;C#CCNC(=O)CC(C)=O;PNLNSQKNBYWJDR-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237089;MM237089;C#CCNC(=O)CC(=C)F;DVIRVUVAZIXEEN-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237090;MM237090;C#CCCC(=C)NC(C)=N;CTFDRNJUVBIIQY-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237091;MM237091;C#CCCC(=C)NC(C)=O;BZOWAHCGVWULPP-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237092;MM237092;C#CCCC(=N)NC(=C)C;UHFKBHLFYRBDFQ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237093;MM237093;C#CCCC(=N)NC(=N)N;SPHISFAXRMKGJL-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237094;MM237094;C#CCCC(=O)NC(C)=O;XYXQLIMIAWUILU-UHFFFAOYSA-N;139.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237095;MM237095;C#CCNC(=N)NC(=N)N;HKEVIDMNIIAWKM-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237096;MM237096;C#CCNC(=N)NC(N)=O;SVCFNLXYIYCCKK-UHFFFAOYSA-N;140.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237097;MM237097;C#CCNC(=O)NC(=N)N;ZTKPZXJMFWLKHP-UHFFFAOYSA-N;140.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237098;MM237098;C#CCNC(=O)NC(N)=O;NTISRLWPYCJEOV-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237099;MM237099;C#CCOC(=N)NC(=N)N;IDXOLWNUTJDPCP-UHFFFAOYSA-N;140.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237100;MM237100;C#CCOC(=N)NC(N)=O;CKLKYYMDMZIWJQ-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237101;MM237101;C#CCOC(=O)NC(=C)C;YDNWNAVVKVWLEO-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237102;MM237102;C#CCOC(=O)NC(C)=N;NIWUZGFZKZEQBX-UHFFFAOYSA-N;140.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237103;MM237103;C#CCOC(=O)NC(C)=O;FLBXKNPKUGKHFI-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237104;MM237104;C#CCOC(=O)NC(N)=O;OBPMNOGWDXWAOE-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237105;MM237105;CC(O)COC=NN;QQDRMVBHVSQJMT-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237106;MM237106;C#CCOC(=O)OC(=C)C;HCPSQVPJOQDACP-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237107;MM237107;CC(N)CC(C)CC=CF;OXPIPAJEJDSBKP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237108;MM237108;CC=CCC(N)CC(C)N;ZRXMKGCFRWJZEG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237109;MM237109;CC=CCC(N)CC(C)O;FKADRZIFHCGBGN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237110;MM237110;CC(O)CC(N)CC=CF;QMWNJOPHIMFDGU-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237111;MM237111;NC(CC=CF)CC(F)F;MSOGHPNVVZCXNS-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237112;MM237112;CC=CCC(O)CC(C)F;IZIHIPCUBVZEPN-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237113;MM237113;CC=CCC(F)CC(C)N;ZLIPBOVGRMROIW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237114;MM237114;CC(N)CC(F)CC=CF;QBRPSFOCWRRPOO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237115;MM237115;CC=CCC(F)CC(C)O;GNZYJJXXKRNUIF-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237116;MM237116;CC(O)CC(F)CC=CF;XSNJMBGJXLQVIB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237117;MM237117;FC=CCC(F)CC(F)F;YKNCOJYQGCIKCR-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237118;MM237118;CC(N)CC(C)CC=NO;NIZFIEULWMRLNO-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237119;MM237119;CC(O)CC(C)CC=NO;AXWMVMPVLPZRBJ-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237120;MM237120;CC(C)CC(O)CC=NO;KFSWLYRIEDQWDS-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237121;MM237121;CC(N)CC(C)N=CNO;RUWDEYXUALMWFW-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237122;MM237122;CN=CNC(C)CC(C)O;OYLYNLMSZBYIAO-UHFFFAOYSA-N;144.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237123;MM237123;CC(O)CC(C)N=CNN;UFBNNIGNUGEWKY-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237124;MM237124;CC=NNC(C)CC(C)N;MIQKEBJBDDXUJM-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237125;MM237125;C=C(CO)N(N)C=O;UTFMDQDKAZOZRE-UHFFFAOYSA-N;116.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237126;MM237126;CC=NNC(C)CC(F)F;KMGOMHKDNVIBEE-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237127;MM237127;CC(C)NC(C)CC=CF;BOQQBSFDOCOLDP-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237128;MM237128;CC(C)OC(C)CC=NN;OXTYTPXDSDRHOW-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237129;MM237129;CC(O)C1NC1C#N;UVIHOEVPASGVNZ-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237130;MM237130;CC(C)OC(C)OC=NO;AWGBVTHFAATYPE-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237131;MM237131;CC=CCC(O)CN(C)C;KSAITEGGRHRSFS-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237132;MM237132;CC(CC=NN)CN(C)C;BVXROZBJLGIMDR-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237133;MM237133;CC(CN(C)C)N=CNO;WJXIZSOYHMNACI-UHFFFAOYSA-N;145.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237134;MM237134;CC(N)CN(C)CC=NO;SECXJIMFAUGLCO-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237135;MM237135;CN(CC=NN)CC(F)F;HNBWXYNGGJKUSR-UHFFFAOYSA-N;151.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237136;MM237136;CN=CNN(C)CC(C)N;SMYSDUQIAHEKNJ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237137;MM237137;CN=CNN(C)CC(C)O;QJZFDFUZWTXADN-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237138;MM237138;CCC(O)CN(N)C=O;AZYPBTKKPWBFBU-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237139;MM237139;CC(CC=CF)CC(=N)N;CAPUAVRKUFEELP-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237140;MM237140;C=NN(C)CC(O)CC;BGIZDLOEZHQRFV-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237141;MM237141;CC=CCC(N)CC(=N)N;HVYQRFSSPJKYDC-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237142;MM237142;N=C(N)CC(N)CC=CF;GMKQFVYZRBRHOT-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237143;MM237143;NC(=O)CC(N)CC=CF;ZEYWOCLKNSSZCQ-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237144;MM237144;C=C(C)CC(F)CC=CF;MKGTUKSQDIPXMR-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237145;MM237145;CC=CCC(F)CC(=N)N;ZHEYYFPGHBSKND-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237146;MM237146;N=C(N)CC(F)CC=CF;MYBJINVBJZCQKQ-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237147;MM237147;CC(CC=NN)CC(=N)N;JRSUXHMITTVPLS-UHFFFAOYSA-N;142.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237148;MM237148;CC(CC=NO)CC(=N)N;WFNBBIWYCAMIHH-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237149;MM237149;CC(=NN)OCC(C)O;CWJSRASFOVILAD-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237150;MM237150;CC(CC=NO)CC(N)=O;HBGGBXASSKIZMI-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237151;MM237151;C=C(F)CC(N)CC=NO;MUHWIPLUDSRUQI-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237152;MM237152;C=C(C)CC(C)N=CNN;MDJZKBCCCIOKIW-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237153;MM237153;CN=CNC(C)CC(C)=O;NNCOCVZBCMIPPY-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237154;MM237154;CN=CNC(C)CC(N)=O;DOJNTFMKEPCXNG-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237155;MM237155;C=C(F)CC(C)NN=CC;JHQTUKUOHAWRHK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237156;MM237156;CC(CC(N)=O)OC=CF;YITKPPIYQGKJTH-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237157;MM237157;CC(CC(=N)N)OC=NN;KADTWIYOQNVDJN-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237158;MM237158;C#CC1(C)NC1C(C)O;HWYBQCZBNPOQNI-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237159;MM237159;CC=NOC(C)CC(=N)N;JUEPQGOQACEWEO-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237160;MM237160;COn1cc(O)c(N)n1;QVPREUSGMKVRLE-UHFFFAOYSA-N;129.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237161;MM237161;CC=CCC(C)NC(C)=N;YVSJGDKMWJMLFE-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237162;MM237162;CC(=N)NC(C)CC=CF;UGTIJSFSXHJCDJ-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237163;MM237163;CNN=COCC(C)O;YFKVMZQZCNMAEH-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237164;MM237164;CC(=O)NC(C)CC=CF;VLHHSKHRORZCNT-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237165;MM237165;CC=CCC(C)NC(=N)N;XNKSERAGKCZNEC-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237166;MM237166;CC=CCC(C)NC(N)=O;BBTLCURDARMCSV-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237167;MM237167;CC(=N)NC(C)CC=NO;LPRKIAFYFPKNNU-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237168;MM237168;CC(CC=NN)NC(=N)N;WVLIWTAIMQDDAB-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237169;MM237169;CC(=O)OC(C)CC=CF;QGAMIXBPOFDNDU-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237170;MM237170;CC=CCC(C)OC(=N)N;WLXTUITYBNHXCP-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237171;MM237171;CC=CCC(C)OC(N)=O;FHHNLGMBXDWASW-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237172;MM237172;CC(=O)OC(C)CC=NN;PXHRPRLHYIFWRY-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237173;MM237173;CC(CC=NN)OC(=N)N;VNBFYKYOIMKGBV-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237174;MM237174;CC(CC=NO)OC(N)=O;XMJFLZSYGRQBCF-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237175;MM237175;CC=COC(C)OC(=N)N;WPRBBQUYQXTVFO-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237176;MM237176;CC(OC=CF)OC(N)=O;KDPIOASBJJHWDH-UHFFFAOYSA-N;149.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237177;MM237177;CON=COCC(C)O;RAYOOACKEPREFP-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237178;MM237178;C=C(C)OC(C)OC=NO;YRNRHRFLIQIKHT-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237179;MM237179;CC(OC=NN)OC(=N)N;PKEOBSOPNJAKSH-UHFFFAOYSA-N;146.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237180;MM237180;CC(OC=NO)OC(=N)N;GGLQJRGXRIYAML-UHFFFAOYSA-N;147.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237181;MM237181;NN=CN(O)CCCO;WOOGBUSEBWCVCC-UHFFFAOYSA-N;133.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237182;MM237182;CC=NOC(C)OC(C)=O;QYQONSLLLJOOQT-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237183;MM237183;C=C(C)CN(C)CC=CC;SVQOAQGDUJRCAP-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237184;MM237184;CC=CCN(C)CC(=N)N;GDUCZHVAHUHEGZ-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237185;MM237185;CN(CC=CF)CC(=N)N;USBPYBWCCRTBIS-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237186;MM237186;CON=CN(O)CCF;ZDPWCIIQYCHGFW-UHFFFAOYSA-N;136.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237187;MM237187;N=C(C(N)=O)N(N)C=O;AHUKPYASHMCUML-UHFFFAOYSA-N;130.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237188;MM237188;CN(CC(=N)N)N=CNO;RSCCRPJBZSIUQP-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237189;MM237189;CC=CCN(C)NC(C)=N;VEZUPNJPAJGTCV-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237190;MM237190;CC(=N)NN(C)CC=CF;QQHGXZGISXYEEB-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237191;MM237191;C=C(C(C)=NN)C(C)O;JDMIBQGULYVABF-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237192;MM237192;CC(=O)NN(C)CC=CF;JCANJTNAIFXZQI-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237193;MM237193;CC=CCN(C)NC(=N)N;SSRKCDBNSNMHIU-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237194;MM237194;CN(CC=NO)NC(=N)N;IDIJXNUZNZDVON-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237195;MM237195;CN(CC=NO)NC(N)=O;KPXRUDCDNJUNBP-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237196;MM237196;C=C(CC=CF)CC(C)F;XDOQFMAVOMSQTE-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237197;MM237197;C=C(CC=CF)CC(F)F;LVVBNUQIMUHLAV-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237198;MM237198;CC(F)CC(=O)CC=CF;JIQUORHGEJGXGE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237199;MM237199;C=C(CC=NN)CC(F)F;BSGGJNIZKZLWTG-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237200;MM237200;O=C(CC=NO)CC(F)F;SILINXBQFDJZLY-UHFFFAOYSA-N;151.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237201;MM237201;CC=CNC(=N)CC(C)C;RYNCMKZLWZGSQS-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237202;MM237202;CC(C)CC(=N)NC=CF;MQGYEEMAPZKQBK-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237203;MM237203;CC=CNC(=N)CC(C)N;BSKOANAMTIWSRO-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237204;MM237204;CC(N)CC(=N)NC=CF;XDOJMNFBPCMPSX-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237205;MM237205;CC=CNC(=N)CC(F)F;PXJXVGASUQQIGB-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237206;MM237206;CC=CNC(=O)CC(C)C;IPWFXYJCPBKBMK-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237207;MM237207;CC(C)CC(=O)NC=CF;LSZPTKMDCPRUGH-UHFFFAOYSA-N;145.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237208;MM237208;CC=CNC(=O)CC(C)N;XRBOONXVEGDPSJ-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237209;MM237209;C=C(CC(C)C)N=CNN;FAKFSVBDZYASJY-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237210;MM237210;C=C(CC(C)F)N=CNN;OIKSJGZGKYLUOC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237211;MM237211;COCC(=NN)N(C)O;KTLSGAAXSHPDQY-UHFFFAOYSA-N;133.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237212;MM237212;CC=NNC(=O)CC(C)N;ZHYZYCGBYXAMFN-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237213;MM237213;CC=NNC(=O)CC(C)F;VPHAOWXBIQDAGH-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237214;MM237214;O=C(CC(F)F)OC=CF;FPVMKCSAPVGQCQ-UHFFFAOYSA-N;154.09;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237215;MM237215;C=C(CC(C)N)OC=NO;YODJHSSCYXKFSA-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237216;MM237216;C=C(F)C(=NN)N(C)O;VCRWLDZRIYGKNP-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237217;MM237217;C=C(CC(C)O)OC=NO;AEWIPSQGSSIGAU-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237218;MM237218;Cc1cc(N)n(C)c1O;SBLVZLBQTLLHMI-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237219;MM237219;CC=CCC(=N)NC(C)C;ODPPOENJKGTLJC-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237220;MM237220;CC(C)NC(=N)CC=CF;VIHVUQJZLAIWCD-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237221;MM237221;CC(C)NC(=O)CC=CF;LXOOSFIFRTZDFB-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237222;MM237222;CC(C)NC(=N)NC=CF;RJMHYHYUCLVQKS-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237223;MM237223;CC(C)NC(=O)NC=NN;XCABNQSLWKCNMF-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237224;MM237224;CC(C)NC(=O)NC=NO;UDLCLMYVMBBUNB-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237225;MM237225;Nc1[nH]c(F)c(N)c1F;KRBIIZRNOBVFDK-UHFFFAOYSA-N;133.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237226;MM237226;Nc1nn(N)c(F)c1F;FEWXURXHJAIDBJ-UHFFFAOYSA-N;134.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237227;MM237227;CC=CNC(=O)OC(C)C;HJBXGQSHVWJURI-UHFFFAOYSA-N;143.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237228;MM237228;CC(C)OC(=O)NC=CF;DQKNWFCMXKXVDU-UHFFFAOYSA-N;147.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237229;MM237229;C=C(NC=NC)OC(C)C;JPCKYMQASOMEBB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237230;MM237230;CN(C)CC(=N)NC=CF;JZGUXOFZOUQIPH-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237231;MM237231;C=C(CN(C)C)NC=NC;MWFSKDILBCFUOA-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237232;MM237232;CC=CCC(=N)NN(C)C;SSJLNNMQFFJFSU-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237233;MM237233;CNc1nc(N)c(C)o1;OOHOHCDBYBUJHT-UHFFFAOYSA-N;127.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237234;MM237234;CN(C)NC(=O)NC=CF;PMUJWLGNYZRJRP-UHFFFAOYSA-N;147.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237235;MM237235;CN(C)NC(=N)NC=NN;WASWEQBFVMNZSJ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237236;MM237236;CN(C)NC(=N)NC=NO;ASCSEEBOWGVKSO-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237237;MM237237;CN(C)NC(=O)NC=NN;AUBVJGULCLXWJO-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237238;MM237238;CN(C)NC(=O)NC=NO;VVKLIJUXUDFNNO-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237239;MM237239;CN(C)NC(=O)OC=NO;WSRJWJSCLXZMES-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237240;MM237240;CC(C)c1cnc(N)o1;KJJSYXHWCOVXPT-UHFFFAOYSA-N;126.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237241;MM237241;C=C(CC=CC)CC(=N)N;PMOICDOTMCJPFT-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237242;MM237242;C=C(CC=CF)CC(=N)N;OWSRNOFITNCXJS-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237243;MM237243;Cc1c(NN)noc1F;LYEABNFZERJNLC-UHFFFAOYSA-N;131.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237244;MM237244;C=C(CC=CF)CC(N)=O;PEUOAOGHDWODLO-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237245;MM237245;C=C(C)CC(=O)CC=CF;MQGREUSIELMQHF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237246;MM237246;CC=CCC(=O)CC(=N)N;QGCBOZZKXDUHTH-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237247;MM237247;NC(=O)CC(=O)CC=CF;KHKYNFAJBQQTNX-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237248;MM237248;C=C(F)CC(=O)CC=CC;JZYYZRNQGLQGMY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237249;MM237249;C=C(C)CC(=N)NC=CC;SGIMJIUBEOSNTJ-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237250;MM237250;C=C(C)CC(=N)NC=CF;PNNRMXDPSOAIPU-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237251;MM237251;C=C(F)CC(=N)NC=CC;ULLVLTVWQYKXJP-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237252;MM237252;CC(=O)CC(=O)NC=CF;IHEARWJJUXXBTO-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237253;MM237253;C=C(F)CC(=O)NC=CC;WQOHHTIIAOGWPR-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237254;MM237254;C=C(CC(=N)N)NC=NN;ILZBXBSOMYGHRB-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237255;MM237255;C=C(C)CC(=N)NC=NN;TXTLFZBKQYYIEQ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237256;MM237256;N=C(N)CC(=N)NC=NN;HHQITYJNEGICBU-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237257;MM237257;N=C(N)CC(=N)NC=NO;CQHNIAUYOSSHJS-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237258;MM237258;C=C(C)CC(=O)NC=NN;CGDRBWRUCXZNSR-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237259;MM237259;C=C(C)CC(=O)NC=NO;ZOKSXRWOLTYHLU-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237260;MM237260;N=C(N)CC(=O)NC=NN;HKTFFSWKFGWUDY-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237261;MM237261;N=C(N)CC(=O)NC=NO;KSBQYWFLHMSOJE-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237262;MM237262;NC(=O)CC(=O)NC=NO;WIRVYKPRFTYHHL-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237263;MM237263;CNn1cc(O)c(O)n1;HHMVQZOJPBIHDQ-UHFFFAOYSA-N;129.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237264;MM237264;C=C(F)CC(=O)NC=NN;ILZSPUGKKYMWTG-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237265;MM237265;CNC(CO)C(=O)C#N;XBZRIGLPDDIZLN-UHFFFAOYSA-N;128.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237266;MM237266;OCC=NOCCCO;LVHYORNGZNNKIK-UHFFFAOYSA-N;133.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237267;MM237267;C=C(C)CC(=O)NN=CC;WYHXACYYZQELKI-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237268;MM237268;C=C(CC(C)=O)OC=CC;XMBLOJRCPFBTCO-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237269;MM237269;CC=COC(=O)CC(C)=O;RHMGJCHLIGEECW-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237270;MM237270;NC(=O)CC(=O)OC=CF;GKYCYFOGIXQIPK-UHFFFAOYSA-N;147.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237271;MM237271;C=C(CC(=N)N)OC=NN;MQAWCPCOPTVIHY-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237272;MM237272;CC(O)COC=NN(C)C;YJJOQYLJXLEOSB-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237273;MM237273;C=C(CC(N)=O)OC=NO;BOVSESCGNXSWLO-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237274;MM237274;Nn1[nH]c(=NO)n(N)c1=O;OMJAYISQEURTQU-UHFFFAOYSA-N;146.11;-3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237275;MM237275;NN=COC(=O)CC(N)=O;YZGYZQDWTWTIMP-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237276;MM237276;Cn1c(=N)onc(O)c1=N;USAFPYHHWHNZHJ-UHFFFAOYSA-N;142.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237277;MM237277;CC=NOC(=O)CC(=N)N;LTPFYXILGAWBEJ-UHFFFAOYSA-N;143.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237278;MM237278;CC=NOC(=O)CC(N)=O;OOXIDFMQMCOLAU-UHFFFAOYSA-N;144.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237279;MM237279;C=C(CC=CC)NC(=N)N;MFWHEEITLLOLGW-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237280;MM237280;C=C(CC=CF)NC(=N)N;GUUWBHIRQBYEOO-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237281;MM237281;C=C(CC=CC)NC(N)=O;TYSROQKXKYTLMT-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237282;MM237282;C=C(CC=CF)NC(N)=O;DENPPHVHVQSDEA-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237283;MM237283;CC=CCC(=N)NC(C)=N;XTSXDPDTRACWMX-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237284;MM237284;CCC(O)CN(N)C(C)=O;UJFKCNANSWWSNO-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237285;MM237285;CC=CCC(=N)NC(=N)N;BBMQRXOBDNOEMJ-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237286;MM237286;C=NNC(=N)OCC(C)O;GQYOMBRETKOROK-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237287;MM237287;C=C(C)NC(=O)CC=CC;CPJXDLAGPZSLPU-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237288;MM237288;C=C(C)NC(=O)CC=CF;IUKMOSMWFFLKIV-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237289;MM237289;CCOC(=N)NOC(N)=O;DNGSTJJVQYXTTF-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237290;MM237290;CC(=O)NC(=O)CC=CF;DIDBIYMEFXZCRH-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237291;MM237291;CNN=C(C)OCC(C)O;MDHOLSSZUDUBGA-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237292;MM237292;C=C(CC=NO)NC(=N)N;HXWFBKYQOAPPBX-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237293;MM237293;N=C(NC=CF)NC(N)=O;GRZOXTXDQKZISH-UHFFFAOYSA-N;146.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237294;MM237294;C=C(C)NC(=O)NC=CC;UMDQPBLASLRKFZ-UHFFFAOYSA-N;140.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237295;MM237295;N=C(N)NC(=O)NC=CF;FGTGTGMDCHLPJO-UHFFFAOYSA-N;146.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237296;MM237296;NC(=O)NC(=O)NC=CF;YKPUQWGBEVNAQC-UHFFFAOYSA-N;147.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237297;MM237297;CC(O)COC(=O)N(C)N;WMLAXRNCSGHNJE-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237298;MM237298;C=CC(O)CC(C)ON=C;SYMJBPKKWPKDBI-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237299;MM237299;C=C(C)NC(=N)NC=NC;RQDMERIWASEBAI-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237300;MM237300;C=NNCCC#CC(N)=O;ZBHYJSLKOGAJSY-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237301;MM237301;CC1C(CC=NN)C1(C)O;HJDYEYCIEMFLCE-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237302;MM237302;N=C(N)NC(=N)NC=NN;YOQMYWYJXPMCSL-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237303;MM237303;N=C(N)NC(=N)NC=NO;UVGMSQLEWYIQRD-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237304;MM237304;CN=CNC(=N)NC(N)=O;PBXDQDQVTGNRRP-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237305;MM237305;CC=NNCC(O)CCC;BWCZHIQPSLWJDI-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237306;MM237306;CC(=O)NC(=O)NC=NN;LXVXKBJIBYKAJI-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237307;MM237307;CN=CNC(=O)NC(=N)N;PXXCPXKPFTYITL-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237308;MM237308;N=C(N)NC(=O)NC=NN;MCKWPCIJSODGMW-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237309;MM237309;N=C(N)NC(=O)NC=NO;PEJWROYZQGXMID-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237310;MM237310;O=CON=CN(O)CCF;RZTWHWLEKHUSNL-UHFFFAOYSA-N;150.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237311;MM237311;NN=CNC(=O)NC(N)=O;MGDQREWVTDDBAG-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237312;MM237312;NC(=O)NC(=O)NC=NO;XUIOITFUMBBWLR-UHFFFAOYSA-N;146.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237313;MM237313;C=C(NC(=N)N)OC=CC;HDUVFSZAPDEPEH-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237314;MM237314;C=C(NC(=N)N)OC=CF;WADSIOKQULJELX-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237315;MM237315;C=C(NC(N)=O)OC=CC;PZZZVWJCYGPIBZ-UHFFFAOYSA-N;142.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237316;MM237316;C=C(NC(N)=O)OC=CF;CJFWQNXXQZCEJS-UHFFFAOYSA-N;146.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237317;MM237317;C=C(NC(C)=O)OC=NN;PHWLHNHEDZBNAE-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237318;MM237318;C=C(NC(=N)N)OC=NN;INLZZVKNYVTPAY-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237319;MM237319;C=C(NC(=N)N)OC=NO;SCLCQVFYYWAMCA-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237320;MM237320;CC(=O)NC(=N)OC=NN;WNPGMAIRSSRYBG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237321;MM237321;CC(=O)NC(=N)OC=NO;QDAWNOUCPZPEMX-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237322;MM237322;N=C(N)NC(=N)OC=NN;YUNFHKYLOGTSEN-UHFFFAOYSA-N;144.14;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237323;MM237323;CC(=O)NC(=O)OC=NN;PFIGPLFFVFEIAB-UHFFFAOYSA-N;145.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237324;MM237324;CC=NOC(=N)NC(=N)N;IZULOXZJDPVHDX-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237325;MM237325;C=C(C)NC(=O)ON=CC;PZBYUNXFFGAGEN-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237326;MM237326;COC(C#N)C(=N)N(C)O;XUWIGBTUWQYSEO-UHFFFAOYSA-N;143.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237327;MM237327;COC(=NN)C(=N)N(C)O;DVKVDBRPGXFFHM-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237328;MM237328;CN(N=CC=CF)C(N)=O;GYECGXYCAZBXLH-UHFFFAOYSA-N;145.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237329;MM237329;CC#CC(=O)C(=N)N(C)O;UMHJUZJVNKQYRI-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237330;MM237330;C=C(C(C)=NNC)C(C)O;BKRJUTQFHPNKPW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237331;MM237331;C=C(C)OC(=O)OC=CC;HDPWBYIJOMPGRA-UHFFFAOYSA-N;142.15;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237332;MM237332;CNN=C(COC)N(C)O;PGZIFPIVJOKCBW-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237333;MM237333;C=C(C)OC(=O)OC=NO;BOZBARXPPVFULD-UHFFFAOYSA-N;145.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237334;MM237334;C#CCC(=NOC)N(C)O;WXNFUGAKPMZGRD-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237335;MM237335;CC#CCC(O)CC(C)=O;GLDUXDGCKKYEOB-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237336;MM237336;CC#CCC(O)CC(N)=O;DXGLKQARBQKPMG-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237337;MM237337;CC#CCC(F)CC(N)=O;NTINYMLNXFEZQM-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237338;MM237338;CC#CCC(C)NC(C)=O;SHDOUKHPIPTTGA-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237339;MM237339;CC#CCC(C)NC(=N)N;DMDKWZQQAOVRDY-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237340;MM237340;CC#CCC(C)NC(N)=O;BRXNLFFOUHQALA-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237341;MM237341;CC#CCC(C)OC(N)=O;LEIZEGKZUPKWHU-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237342;MM237342;CC#CCN(C)NC(C)=N;XUSSWNPKRNJDBT-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237343;MM237343;C=C(CC#CC)CC(F)F;BPXIDHKEJVVQAO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237344;MM237344;CC#CCC(=O)NC(C)C;AUCBGFDOSUJTEF-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237345;MM237345;CC#CCC(=N)NN(C)C;JAHNBQXXWRUUCP-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237346;MM237346;C=C(CC#CC)CC(=N)N;HDBOBZUGRWFQOO-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237347;MM237347;C=C(CC#CC)CC(N)=O;KZCQAOMHIVHUOM-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237348;MM237348;C=C(C)CC(=O)CC#CC;SYLZOPMYOQEZGV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237349;MM237349;CC#CCC(=O)CC(N)=O;OVYBZJNHOQADBM-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237350;MM237350;C=C(CC#CC)NC(=N)N;DWOASGRPQCRMRE-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237351;MM237351;C=C(CC#CC)NC(N)=O;PJGKVVODQSYELW-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237352;MM237352;CC#CCC(=O)NC(C)=O;SFCWHUKSUYCTCV-UHFFFAOYSA-N;139.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237353;MM237353;C=C(C)OC(=O)CC#CC;CEBFZHKYOUKJBV-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237354;MM237354;CCC=CC(C)CC(C)N;UBXSEIBRQIQQMX-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237355;MM237355;CC(N)CC(C)C=CCN;NUHDBDYKVSUKOI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237356;MM237356;CC(N)CC(C)C=CCO;FZDOVZFUYVNKIY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237357;MM237357;CC(O)CC(C)C=CCN;UGJNDFRLDMEBBS-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237358;MM237358;CCC=CC(N)CC(C)C;RDLLQNYKJMNETB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237359;MM237359;CCC=CC(N)CC(C)N;HYLSGCYSPADNMR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237360;MM237360;CC(O)CC(N)C=CCN;XSHZVCWJVDVKSV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237361;MM237361;CCC=CC(N)CC(F)F;RPWPIJRGENWRIK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237362;MM237362;CC(C)CC(O)C=CCN;CELNBTNOCBKVHJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237363;MM237363;CC(N)CC(O)C=CCN;ULRUAHILBSMAOI-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237364;MM237364;CC(C)CC(F)C=CCN;DOWHTVOGMLAYPH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237365;MM237365;CCC=CC(F)CC(C)N;QBGUSUYYCYGWOI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237366;MM237366;COC=CC(N)CC(C)O;UYEQSEWCKLDEQQ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237367;MM237367;COC=CC(O)CC(C)N;QEBYTBTWQVQDEB-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237368;MM237368;COC=CC(O)CC(C)O;ONRCCCUIUBTZGD-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237369;MM237369;C=C(F)C(=NNC)N(C)O;ARQMEGRICROBOG-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237370;MM237370;CON=CC(C)CC(C)N;ANTWAEKPIINMSH-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237371;MM237371;CON=CC(F)CC(C)N;PFCYSHNZPDNGJT-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237372;MM237372;CC(C)NC(C)C=CCO;DKCLEXVEFLOHDV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237373;MM237373;CON=CC(C)NC(C)C;AABIHAGSQVNEJT-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237374;MM237374;CCC=CC(N)CN(C)C;OKKMDSNJCIEJFW-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237375;MM237375;CN(C)CC(N)C=CCF;BEXKLGDIBHCRSO-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237376;MM237376;CNN=CC(C)CN(C)C;ZNRNVMZGKXNFOH-UHFFFAOYSA-N;143.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237377;MM237377;CNN=CC(O)CN(C)C;UGRGQXIIHLIKBA-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237378;MM237378;CCN=CN(C)CC(C)F;GAOZDTDEHDYRNU-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237379;MM237379;CCN=CN(N)CC(C)O;PSMLMWYMKHMMTM-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237380;MM237380;C#CC=C1CC(=O)C(=N)N1;RUZREPMDVHJCHL-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237381;MM237381;CCC(O)CN(C=O)NC;UNORUEGUBIDNBM-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237382;MM237382;C=CC(O)CC(C#N)NC;SRNKHVLVCFWKTB-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237383;MM237383;CON=CN(C)CC(F)F;XEMMTGNBRABAGC-UHFFFAOYSA-N;152.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237384;MM237384;CC(O)COC(CF)=NN;JPCMTALHILSGJN-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237385;MM237385;CC(O)COC(=NN)NN;RGIYKLUUIQVDCM-UHFFFAOYSA-N;148.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237386;MM237386;CC(O)COC(C#N)=CN;GJAUDRSMFDCGKS-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237387;MM237387;C#CC(=NN)OCC(C)O;MPSOGYNSWFIOTE-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237388;MM237388;CCC=NN(C)CC(C)N;OBEOHJGLZOBOPG-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237389;MM237389;CN=C(NOC(N)=O)OC;FPYDKXAMYDZXFS-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237390;MM237390;C#CC1(CC)NC1C(C)O;RYJQOWOIDBCUAT-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237391;MM237391;C=CC1(C=O)NC1C(C)O;STVHUIWUBUNULL-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237392;MM237392;COC=NN(C)CC(F)F;CFHRGFXZNZATFL-UHFFFAOYSA-N;152.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237393;MM237393;CCN=CN(C)NC(C)C;ISUZQQKSRGTSKI-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237394;MM237394;C=C(CO)N(N)C(=N)CF;FOZHZSUALDUNBE-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237395;MM237395;CC(C=CC=O)CC(F)F;XQSJOUFBKBLYLV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237396;MM237396;C=CC=CC(N)CC(F)F;FWNCUXVKBNYOCR-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237397;MM237397;CC(O)CC(O)C=CC=O;SADQQWJAUXCJEA-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237398;MM237398;CC(F)CC(O)C=CC=O;CFEGRCYNFGZBKL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237399;MM237399;O=CC=CC(O)CC(F)F;IGRUGDIVOXRGHT-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237400;MM237400;C=CC=CC(F)CC(C)N;FBYKIJAYJZWIJZ-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237401;MM237401;CC(O)CC(F)C=CC#N;HFIFRWMWSJYANB-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237402;MM237402;C=NN=CC(C)CC(C)N;IISKNAYDHMKFTH-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237403;MM237403;C=NN=CC(O)CC(C)F;VNHFMCJIDRLDNW-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237404;MM237404;C=NN=CC(F)CC(C)O;VVBKVDRZLYWOBH-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237405;MM237405;C=CC=CC(C)NC(C)C;WFUXHWGRHSJBJV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237406;MM237406;CN(C)CC(O)C=CC#N;YUEPZAJDSODYSK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237407;MM237407;CC(C)CN(C)C=NC=O;UEIMAYWXQNQBLV-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237408;MM237408;CC(N)CN(C)C=NC=N;QBEVWWCNMUROBE-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237409;MM237409;CC(F)CN(N)C=NC=O;AIUZMXUYBCUYOW-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237410;MM237410;N=C(CF)N(N)C(=O)CF;YVOZFGHUTWHHGY-UHFFFAOYSA-N;151.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237411;MM237411;CC(O)CN(O)C=NC=O;ICKBNBWQLDMLDN-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237412;MM237412;CNN=CN(O)CCCO;MHVJSQQFBQKEPG-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237413;MM237413;C=NN=CN(N)CC(F)F;MLQHQKOHKHZLCA-UHFFFAOYSA-N;150.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237414;MM237414;CCC1(O)CC1CC=NN;HUVBNAVQFHABBJ-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237415;MM237415;C=CC(=N)N(OC)C(N)=O;JYZBMIZPDPKNML-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237416;MM237416;C=CC=NN(C)CC(C)F;PZBSPGICIVPQTI-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237417;MM237417;C#CC=CC(O)CC(C)O;XYCXKTDKBVRRBW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237418;MM237418;C#CC=CC(O)CC(C)F;RUQINQHPGQPHOE-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237419;MM237419;C#CC=CC(O)CN(C)C;QNGFJYYZPVZJMF-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237420;MM237420;C#CC=NN(C)CC(C)F;FRSWEZCXEXAXFV-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237421;MM237421;CC=C(F)C(=NN)N(C)O;HLDLEZRAOOLMMI-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237422;MM237422;CC(C=CCN)CC(N)=O;FRLGJHYEKBZMSB-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237423;MM237423;CC(=O)CC(O)C=CCO;OFLQBQNCDUWSJO-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237424;MM237424;N=C(N)CC(O)C=CCF;SHJLPCGTFJCYLF-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237425;MM237425;Nn1c(O)cnnc1=O;MBCHMBOGIKJBPY-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237426;MM237426;CN=c1nnc(N)c(O)o1;SVXIXBGDLJCJAR-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237427;MM237427;C=C(F)CC(O)C=CCN;OSNNGIAXIHAIID-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237428;MM237428;CCC=CC(F)CC(=N)N;QMEBOYMWHZFARS-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237429;MM237429;N#CC(=C(N)CO)C(F)F;DWLLBMUJJMNWMH-UHFFFAOYSA-N;148.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237430;MM237430;COC=CC(O)CC(=N)N;MPXKGKKLAWOJPH-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237431;MM237431;COCCNC=CC(=O)O;FWUZKLLRFAWGDF-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237432;MM237432;C=C(C)CC(C)C=NNC;XWTLCLFDHIMXQB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237433;MM237433;CCOCC(=NN)N(C)O;BTVBVUUFCKJOEP-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237434;MM237434;CNN=CC(C)CC(=N)N;PJMNRGDAKJHMMI-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237435;MM237435;CNN=CC(N)CC(=N)N;UZFHNXIRRWTCNK-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237436;MM237436;CNN=CC(O)CC(=N)N;GHQVPDLUPMYAFE-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237437;MM237437;C=COCC(=NN)N(C)O;OZWOSWIDRBAFDU-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237438;MM237438;CNN=CC(F)CC(=N)N;KAEKHNVDNNVYJY-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237439;MM237439;CN(O)C(COC=O)=NN;SOXZBVNVSVIQLA-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237440;MM237440;Cc1c(C)c(O)n(C)c1N;HIUOXWYUEYAEQP-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237441;MM237441;CCC=CC(C)NC(C)=N;SQLJWVWMRNBBOP-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237442;MM237442;CC(=N)NC(C)C=CCO;ICHXPECTYZBEBQ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237443;MM237443;CNc1cn(O)ccc1=O;DHKINGJDFZEAIR-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237444;MM237444;CCC=CC(C)NC(=N)N;CRWFEJYLCKILKV-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237445;MM237445;CC(C=CCO)NC(N)=O;NKPBDHJEWHBZTK-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237446;MM237446;COC=CC(C)NC(=N)N;XYLUPCOGIRIBHG-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237447;MM237447;COC=CC(C)NC(N)=O;VVWXYRFPLONHSY-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237448;MM237448;CNN=CC(C)NC(C)=N;NLBYKGKTMYTYII-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237449;MM237449;CCC=CC(C)OC(=N)N;FIYOTRFGIDRXKL-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237450;MM237450;CC(C=CCO)OC(=N)N;XRSREPJIKJFCCI-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237451;MM237451;Nn1cc(CO)c(=O)nn1;FBSRNENFCBBVHO-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237452;MM237452;CCN=CN(O)CC(=N)N;YQXRBEHTCJEEAG-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237453;MM237453;C#CCC(=O)C(=NC)NO;VUGAMMWFRLIBIR-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237454;MM237454;CCNN=CC=CC(=O)O;IHORNXNGQUBQBC-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237455;MM237455;CNN=CN(C)CC(=N)N;ZWCANRSDTOWPRU-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237456;MM237456;CNN=CN(N)CC(=N)N;HYQQKZRKXGRZGN-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237457;MM237457;C=NNC1=NC(CO)CC1;PXXUXXUTEBFPOL-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237458;MM237458;CNN=CN(O)CC(=N)N;BHILHFPQUNYOSY-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237459;MM237459;CON=CN(C)CC(=N)N;SHZDNMWXPQRHAB-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237460;MM237460;C=NN1C=NC(CO)CC1;HDVLQHBOLBFONG-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237461;MM237461;CC1C(=N)N=CN1N;KOWXBXGYZYPUKJ-UHFFFAOYSA-N;112.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237462;MM237462;CCN=c1[nH]oc(=O)o1;VCPRMYNOLZORIZ-UHFFFAOYSA-N;130.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237463;MM237463;C=C(F)CN(N)C=NOC;BTLQCEVGTNKFEP-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237464;MM237464;O=c1nnc(=O)c(O)n[nH]1;WGBKMJGHDKBRBJ-UHFFFAOYSA-N;142.07;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237465;MM237465;C#CC1NC1C(C)O;LNISVPPTRPFDPY-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237466;MM237466;OCC=NNCCO;KSCOLCLSUPWADP-UHFFFAOYSA-N;118.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237467;MM237467;CN(CC(=N)N)N=CCN;AIVVGYRUIWIGCT-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237468;MM237468;C#Cc1cn[nH]c1C;UNPMLONHWCNDEB-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237469;MM237469;CC(CO)N=C(N)C=O;LMFMCHMLHOQKGY-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237470;MM237470;Cn1c(O)c(F)cnc1=O;WPSZUKNPDRTVEC-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237471;MM237471;COC=NN(C)CC(=N)N;NNVLCMCWNMGXBK-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237472;MM237472;CC(O)C1NC1(C)C=O;XAFXNEBUAGTPNU-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237473;MM237473;CCN=CN(C)NC(C)=N;CSGDLCIPXOXVOZ-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237474;MM237474;CNN=CN(C)NC(C)=N;XVIPKLWKQUYMKK-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237475;MM237475;CN(CCO)N=CCO;ARWUDBGFMFHDHF-UHFFFAOYSA-N;132.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237476;MM237476;CNN=CN(C)NC(=N)N;OWRSHKGZTJUSJY-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237477;MM237477;CCN=CN(C)OC(C)=O;FILZUDIJEMQWFJ-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237478;MM237478;C=CC=CC(C)CC(=N)N;BBHUDVJPHAECAP-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237479;MM237479;CC(C=CC#N)CC(=N)N;HEOOOIDNFLVRRP-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237480;MM237480;CCC(=O)C(=N)N(C)O;VFAZFBJNUCDQJK-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237481;MM237481;C=CC=CC(N)CC(=N)N;NIDJYSUXBPBFFJ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237482;MM237482;C=CC=CC(N)CC(N)=O;HZVSFIGODDGUME-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237483;MM237483;C=CC=CC(O)CC(=N)N;LSEIIIMNIPHAPB-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237484;MM237484;O=c1nc(O)on1O;UDOBQWMQBUPFJF-UHFFFAOYSA-N;118.05;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237485;MM237485;C=C(F)CC(O)C=CC=O;PBLFINKMPCTLFD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237486;MM237486;C=C(C)CC(F)C=CC=O;HCJKZXDYOPXCIP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237487;MM237487;C=NN=CC(O)CC(N)=O;WEAOVEDSMLKNAA-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237488;MM237488;C=NN=CC(F)CC(=N)N;SIXGGPKOKVCRRP-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237489;MM237489;C=CC=CC(C)NC(C)=N;FAZCCZLGQJRXNI-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237490;MM237490;CC(N)=NC(C)C=CC=O;GVUOWQRDPSMOIM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237491;MM237491;CC(=O)NC(C)C=CC#N;IWFLCCVUNIOBAV-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237492;MM237492;CC(C=CC=O)NC(=N)N;XAWKXSIWVRGZFE-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237493;MM237493;C=NN=CC(C)NC(C)=O;TVIVAFHNSPPKCJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237494;MM237494;CC(=O)OC(C)C=CC=O;FECKXTQXZDJZPS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237495;MM237495;C=CC=CC(C)OC(=N)N;OHHZPVWLTDVWCL-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237496;MM237496;C=CC=CC(C)OC(N)=O;DTZRTIJEWYYETI-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237497;MM237497;CC(C=CC#N)OC(N)=O;VAGOPWWISCXFRR-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237498;MM237498;C=NN=CC(C)OC(N)=O;KHNOGQZTPVRWNL-UHFFFAOYSA-N;143.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237499;MM237499;C=C(C)CN(C)C=CC=O;UZALPSXCVCATNP-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237500;MM237500;CN(C=CC#N)CC(=N)N;RKZKVUQNRRRUNF-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237501;MM237501;CN(C=CC=O)CC(N)=O;VUIDYECYGMRMFJ-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237502;MM237502;C=CC(=O)C(=N)N(C)O;ZYNXUGYAGIJJBG-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237503;MM237503;C=C(C)CN(C)C=NC=O;FQJLPWIHXITRFK-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237504;MM237504;CN(C=NC=N)CC(=N)N;PXKXPMXUSAMPCJ-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237505;MM237505;C=NNC=NC(C)CO;QTDAQGGBHJEMEM-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237506;MM237506;N=CN=CN(N)CC(=N)N;SWIBLKSSOPMSTE-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237507;MM237507;N=C(N)CN(N)C=NC=O;ALAZXPBDPLQJKC-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237508;MM237508;CON=C(CCO)NO;APYIICUPDMWXBQ-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237509;MM237509;CN=NC(=CNO)NO;KOHCIBYXHGOBMD-UHFFFAOYSA-N;132.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237510;MM237510;COC(C)=CC(C)C(=O)O;KOUXUSFSECAGKM-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237511;MM237511;C=C(F)CN(N)C=NC=N;XSYUMDNARWCJSG-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237512;MM237512;C=C(F)CN(N)C=NC=O;XZXJMNXXIOVRSZ-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237513;MM237513;N=CN=CN(O)CC(=N)N;MIUDPLVNEGXCJG-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237514;MM237514;N=C(N)CN(O)C=NC=O;WZBYJJHPOPLTIR-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237515;MM237515;Cc1c(F)c[nH]c1N=N;SNUZXWVXLLQPCT-UHFFFAOYSA-N;127.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237516;MM237516;NC(=O)CN(O)C=NC=O;DDIRHUGYZYAEKR-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237517;MM237517;C=C(CCC(=O)O)OC;JVWYDCQEGVKWDV-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237518;MM237518;COC=CCCC(=O)O;BZPBTUJGQVANMU-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237519;MM237519;N#Cc1nc(O)c(O)o1;FDNIGHOGJHCMJT-UHFFFAOYSA-N;126.07;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237520;MM237520;C=NN=CN(N)CC(=N)N;LHXALAXZPVOMPW-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237521;MM237521;CC#CC1NC1C(C)O;IIGOGFHBSVCZAN-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237522;MM237522;C=NN=CN(N)CC(=C)F;KCUIFMHFLRJNPE-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237523;MM237523;C=NN=CN(O)CC(=N)N;QFPLFFKLXJYZCN-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237524;MM237524;C=NN=CN(O)CC(N)=O;XDDBBVRJBGHQON-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237525;MM237525;N#CC(CF)=C(N)CO;SEDTYNXQIARKOR-UHFFFAOYSA-N;130.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237526;MM237526;C=CN1C=NC(=NN)C1;FEWCOLJCASUMDW-UHFFFAOYSA-N;124.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237527;MM237527;NN=CCC(O)C1CC1;KGSZVOOKLPJVJD-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237528;MM237528;CN(CC(=N)N)N=CC#N;XQESSXIWZAKPRJ-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237529;MM237529;C=C(F)C(F)C(=N)N(C)O;DYSIAHXQLMGHER-UHFFFAOYSA-N;150.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237530;MM237530;CN(CC(N)=O)N=CC#N;MFHOVUAHQCOIER-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237531;MM237531;CCCc1nc(=O)o[nH]1;XWSNWVHBGVEQPG-UHFFFAOYSA-N;128.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237532;MM237532;C=CC=NN(C)CC(=C)F;HHQZLTMRSURGHL-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237533;MM237533;CN(C=CC#N)NC(=N)N;PRRUAWSSXBIXLU-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237534;MM237534;CN(C=CC=O)NC(N)=O;JQSMWMIZRSZFJT-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237535;MM237535;CN(C=CC#N)NC(N)=O;JTCXXQRNEBJVDV-UHFFFAOYSA-N;140.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237536;MM237536;CC(=N)NN(C)C=NC=N;IBNBGAKEEGPEIX-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237537;MM237537;CN(C=NC=N)NC(=N)N;RQAJAYNPIQFVFV-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237538;MM237538;CN(C=NC=O)NC(=N)N;OTCBNRQGKRTNGD-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237539;MM237539;C=C(C)C(=O)C(=N)N(C)O;KWWRDIMEOSKVEA-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237540;MM237540;CN(C=NC=O)NC(N)=O;POWJFLZBJXZUAK-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237541;MM237541;C=NN=CN(C)NC(=N)N;OVTSZJAWXJQWAG-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237542;MM237542;CC(=O)ON(C)C=NC=N;YUXBMOJLQFRFGP-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237543;MM237543;C#CC=CC(O)CC(C)=O;WZYJTQMFKFVDJP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237544;MM237544;CC(CO)NN=CN(C)O;OWZHYNNEWGYVAA-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237545;MM237545;CCC(O)CNN=C(C)C;GVZZQYVEBBNUFY-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237546;MM237546;C=C(C=CCO)CC(C)N;KZLQYBWVMOEWSW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237547;MM237547;C=C(C=CCN)CC(C)O;GWPVGJNZLNVRBR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237548;MM237548;C=C(C=CCO)CC(C)O;XSCXDOPMMIBCHU-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237549;MM237549;C=C(C=CCO)CC(C)F;OOWXESPRZQFAOA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237550;MM237550;C=C(C=CCC)CC(F)F;NIHVLSIUMLHKPU-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237551;MM237551;C=C(C=CCN)CC(F)F;ZUONIYKZNGSZFS-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237552;MM237552;C=C(C=CCO)CC(F)F;KCFQLZDDFYNZKR-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237553;MM237553;CCC=CC(=O)CC(C)C;UXYYHMTXFZXSND-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237554;MM237554;CC(O)CC(=O)C=CCO;QGRJFSKPZCLAJI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237555;MM237555;CC(F)CC(=O)C=CCF;RXIVQMZZXJWGFT-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237556;MM237556;CNC=CC(=O)CC(C)C;ZWKWJUGNEZZEKT-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237557;MM237557;CC(C)NC(=N)C=CCN;CUMGZRORVLNLPT-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237558;MM237558;CC=NN=CN(O)CCF;POLRSBSCMIVXCT-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237559;MM237559;CNC=CC(=N)NC(C)C;PHXXTXJTFSWKTE-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237560;MM237560;C=C(C(C#N)=CN)C(C)O;RYRAWCKADNNIGC-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237561;MM237561;CCC=CC(=O)OC(C)C;OKSNIKMUZNYBPP-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237562;MM237562;N=C(N)C(=O)C(=CF)CO;XGXGTPDWCWWLFU-UHFFFAOYSA-N;146.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237563;MM237563;CN(C)NC(=N)C=CCF;RCULDOPDHZSVTG-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237564;MM237564;CNN=CC(=O)NN(C)C;SNCZQMFIEYOXHE-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237565;MM237565;C=C(C=CC=O)CC(C)C;PXKNZRHSXOOEEB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237566;MM237566;C#CCON=C(C)N(C)O;AOMRDJWFXKCFOZ-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237567;MM237567;CN(O)C(=N)C(=O)CCF;DDGLVQJLCQQKEV-UHFFFAOYSA-N;148.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237568;MM237568;C=C(C=CC=O)CC(C)F;QKERHYVJXKISRI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237569;MM237569;C=C(C=CC=O)CC(F)F;DTNBPPAIJOUUNX-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237570;MM237570;C=CC=CC(=O)CC(C)F;VDVHPEGSWMUZCV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237571;MM237571;CC(F)CC(=O)C=CC#N;PARDPHNCLVEWKQ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237572;MM237572;C=CC=CC(=O)CC(F)F;ZODDBMIBWPPVJR-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237573;MM237573;N#CC=CC(=O)CC(F)F;IAAGNDYGZXTWNC-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237574;MM237574;C=NN=CC(=C)CC(C)C;WLDYVLFAMLMLFC-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237575;MM237575;C=NN=CC(=O)OC(C)C;YYVJGUQXQIYHPR-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237576;MM237576;C=CC=CC(=N)NN(C)C;JCNUGYAWNSABGK-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237577;MM237577;CN(C)NC(=N)C=CC#N;MISPYAURAARUSC-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237578;MM237578;COCC(=O)C(=N)N(C)O;ZZERXJKXKHAIFR-UHFFFAOYSA-N;146.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237579;MM237579;CN(C)NC(=O)C=CC=O;KFEAFCZJYPQTQT-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237580;MM237580;C=NN=CC(=O)NN(C)C;YDPHGWXLGWGYJL-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237581;MM237581;C#CC=CC(=C)CC(F)F;YKMLJKLIOMHFGS-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237582;MM237582;C#CC=CC(=O)CC(C)F;XPLZXSCBJFWQIX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237583;MM237583;C#CC=CC(=O)CC(F)F;SIYUSHBAJHDKGR-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237584;MM237584;C=C(C=CCC)CC(=N)N;ONPAPPAQGQCYHV-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237585;MM237585;C=C(C=CCO)CC(=N)N;LONNVQGYRAWACU-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237586;MM237586;C=C(C=CCC)CC(N)=O;GQNKVWPFODAEMK-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237587;MM237587;C=C(C=CCN)CC(N)=O;BLNIJXWLDQRHML-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237588;MM237588;C=C(F)CC(=C)C=CCO;RMUYDUDXAMCCLP-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237589;MM237589;NC(=O)CC(=O)C=CCF;AELSXWWSZBWTBG-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237590;MM237590;C=C(F)CC(=O)C=CCC;KTAUMCSUNSYBMK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237591;MM237591;C=C(F)CC(=O)C=CNC;JIXMDGAAPDKFEE-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237592;MM237592;CC=CC(F)C(=N)N(C)O;QHVWLZAAWXHJEM-UHFFFAOYSA-N;146.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237593;MM237593;CNN=CC(=O)CC(=N)N;IVFAKMDGPZIYEG-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237594;MM237594;CNN=CC(=O)CC(N)=O;XBJMDICXQAUERY-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237595;MM237595;CN(O)C(=N)C(F)C=CF;HWZMQYPWVUFEID-UHFFFAOYSA-N;150.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237596;MM237596;C=C(C=CCN)NC(C)=O;JWGNQNCMCRFLNG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237597;MM237597;C=C(C=CCF)NC(C)=O;VMZDMVCITNDVEA-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237598;MM237598;C=C(C)NC(=N)C=CCO;RZICMGGGTDYNJC-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237599;MM237599;CN(O)C(=N)C(=O)C=CN;KQVAMQSANLBECG-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237600;MM237600;CN(O)C(=N)C(=O)C=CF;DRPXYSZMLQYIHZ-UHFFFAOYSA-N;146.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237601;MM237601;CC(=O)NC(=O)C=CCO;YMTPLXXIIUCLKY-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237602;MM237602;N=C(N)NC(=O)C=CCO;PELKTJHCDCXXOE-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237603;MM237603;C=C(C=COC)NC(N)=O;KQEPIDRAXORSPW-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237604;MM237604;COC=CC(=N)NC(C)=O;PAGGKAFJRXUSCK-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237605;MM237605;COC=CC(=N)NC(=N)N;MRKDLMGDVIZGJE-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237606;MM237606;NN=CC(F)=C(N)C(N)=O;LBPNXSAXODECIN-UHFFFAOYSA-N;146.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237607;MM237607;COCC(=NC=N)N(C)O;FLGOBCXWBVPJRE-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237608;MM237608;COC=CC(=O)NC(=N)N;LMEUMHPVQNMDQJ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237609;MM237609;C=C(C=NNC)NC(C)=N;BAJRLTQAQPMWHI-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237610;MM237610;CCN=C(C(C)=O)N(C)O;RRGSGRKPSFKYQM-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237611;MM237611;CON=CC(=N)NC(=N)N;MLBCCQILYSQYAA-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237612;MM237612;CON=CC(=O)NC(N)=O;SZJSQBHJGBRICK-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237613;MM237613;C=C(C)CC(=C)C=CC=O;IATAKALGSPQJBM-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237614;MM237614;C=C(C=CC#N)CC(C)=O;QIVFGIZZXDZRKU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237615;MM237615;C=CC=CC(=C)CC(=N)N;UQURIXAZSYPWQW-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237616;MM237616;C=CC=CC(=C)CC(N)=O;MEJKOUXJOKFJCF-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237617;MM237617;C=C(C=CC=O)CC(N)=O;RYNLCVNCKHGZBI-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237618;MM237618;C=C(C)CC(=O)C=CC=O;OCPUYTWZGOCYHK-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237619;MM237619;CC(=O)CC(=O)C=CC#N;JIWZWJAYIUDDSO-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237620;MM237620;NC(=O)CC(=O)C=CC=O;YSHUOAXARIYMIF-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237621;MM237621;C=CC=CC(=O)CC(=C)F;VKJMLIGULXEGJO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237622;MM237622;C=C(F)CC(=O)C=CC#N;QCOUPDYWOYKPLH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237623;MM237623;C=NN=CC(=C)CC(=N)N;URCSZNQTRDSXJN-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237624;MM237624;C=C(CO)C(CC)C(=O)O;HFNOKZWHUAVDFX-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237625;MM237625;C=NN=CC(=O)CC(C)=O;HZXWMGMMLDDDQD-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237626;MM237626;C=NN=CC(=O)CC(=C)F;DNVHDJSYXMKZJP-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237627;MM237627;C=C(C=CC=O)NC(N)=O;NSSWLFPOGKFFMR-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237628;MM237628;CC(=N)NC(=N)C=CC#N;ZOXUKTUHLMQVMY-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237629;MM237629;C=C(F)C(=NC=N)N(C)O;HNRROZUXQGNOFK-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237630;MM237630;N=C(N)N=C(N)C=CC=O;IKAQZOYPNDSTAU-UHFFFAOYSA-N;140.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237631;MM237631;CC(CO)N=CN(C)C=O;SYYVISXRPDWGFJ-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237632;MM237632;CCC1(C=O)NC1C(C)O;PPZRUHKHTOJVPS-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237633;MM237633;C=CC1(C=C)NC1C(C)O;RJMSHGFGEFGCSW-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237634;MM237634;N=C(N)NC(=O)C=CC=O;LKROEKFDPPUHFU-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237635;MM237635;C=CC=CC(=O)NC(N)=O;CPJVEYNWWDGIJU-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237636;MM237636;NC(=O)NC(=O)C=CC=O;WIRRHUFUMHTUKO-UHFFFAOYSA-N;142.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237637;MM237637;C=NN=CC(=N)NC(=N)N;CVJVOQBLVQPAFP-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237638;MM237638;C#CC=CC(=O)CC(=C)C;IOPROQULXYRTMQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237639;MM237639;C#CC=CC(=O)CC(=N)N;MMAAKTCTVUUTMG-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237640;MM237640;C#CC=CC(=O)CC(N)=O;OFKYNFWZVHMJLA-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237641;MM237641;C#CC=CC(=C)NC(=N)N;XMRYLXYLLXXLLU-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237642;MM237642;C#CC=CC(=O)NC(=N)N;RPZVACBZZMGPPS-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237643;MM237643;CC(C)CC(C)C#CCN;SABHGIVIGZCDBT-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237644;MM237644;CC(N)CC(C)C#CCN;OXXRECITMLPCNU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237645;MM237645;CC(N)CC(C)C#CCO;AIBCKMUBDVQHHV-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237646;MM237646;CC(N)CC(C)C#CCF;KFGWJXXFQYLQBK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237647;MM237647;CC(O)CC(C)C#CCN;CVHGNPBKRBJDTC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237648;MM237648;CC(O)CC(C)C#CCO;ZYYUHMXSFJYQFR-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237649;MM237649;CC(C)CC(N)C#CCN;HVWOCFRYALKWFI-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237650;MM237650;CC(C)CC(N)C#CCO;NRVYZFDWGMMNJP-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237651;MM237651;CC(C)CC(N)C#CCF;RLPBVNKAIZTQKD-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237652;MM237652;CC(F)CC(N)C#CCN;WHDKGWQLRUADCM-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237653;MM237653;CC(F)CC(N)C#CCO;FVPWZBGDIDIHGH-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237654;MM237654;CC(C)CC(O)C#CCN;OOONXUMLERBCJV-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237655;MM237655;CC(C)CC(O)C#CCO;VWIHGNRUNCJKEZ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237656;MM237656;CC(N)CC(O)C#CCF;DAKUZERFLYFMCM-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237657;MM237657;CC(F)CC(O)C#CCO;UKCQLQBNUXYWNR-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237658;MM237658;CCC#CC(O)CC(F)F;VGGDAWQSJJADGN-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237659;MM237659;CC(N)CC(F)C#CCN;OGCQFUHDIBQEQK-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237660;MM237660;CC(N)CC(F)C#CCO;UZVMLHZBRXPDPE-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237661;MM237661;CC(N)CC(F)C#CCF;NSNCMXPYIPBYCH-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237662;MM237662;CC(O)CC(F)C#CCO;QCDNJOSNEXBAGM-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237663;MM237663;CC(O)CC(F)C#CCF;JGCJYOIVVTZUJB-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237664;MM237664;CC(F)CC(F)C#CCO;YVJJPJWMGQNJIE-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237665;MM237665;CC(C)NC(C)C#CCN;VMPPNFBKRVYOIT-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237666;MM237666;CC(C)NC(C)C#CCO;UXALHJOEGGHOQJ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237667;MM237667;CC(C#CCO)CN(C)C;JVTVJARVHWKMCA-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237668;MM237668;CCC#CC(N)CN(C)C;RHPIJCZGGWUKNJ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237669;MM237669;CN(C)CC(N)C#CCN;FLMUTPSDSDFOKD-UHFFFAOYSA-N;141.22;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237670;MM237670;CN(C)CC(N)C#CCO;NTYKJLFIIQQUHH-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237671;MM237671;CN(C)CC(N)C#CCF;VKYNFOQGHZPNDY-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237672;MM237672;CN(C)CC(O)C#CCN;JFGFIWGTVPEUJO-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237673;MM237673;CN(C)CC(O)C#CCO;ZVDOMOJXTPONAJ-UHFFFAOYSA-N;143.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237674;MM237674;CC(C)CC(C)C#CC#N;CQJPURHJARLKDN-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237675;MM237675;C#CC1(C#C)NC1C(N)=O;XUHYFEVDCOXKIO-UHFFFAOYSA-N;134.14;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237676;MM237676;CC(F)CC(C)C#CC#N;RFSPPDRLZUXYQV-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237677;MM237677;C=CC#CC(N)CC(C)O;KNNCCPIDYPUDIE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237678;MM237678;CC(C)CC(O)C#CC#N;HBSNEKVAADUUCX-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237679;MM237679;C=CC#CC(O)CC(C)F;DTQRYIRPJFENEQ-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237680;MM237680;N#CC#CC(O)CC(F)F;FXENVZKMUZIQOA-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237681;MM237681;CC(C)CC(F)C#CC#N;UYTPTUXTFKBKNQ-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237682;MM237682;CC(O)CC(F)C#CC#N;PUYXUYQBXWUKIU-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237683;MM237683;CC(F)CC(F)C#CC=O;ZRBWJZACHZCKQX-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237684;MM237684;CC(F)CC(F)C#CC#N;ZGTCWWBUSRLCMP-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237685;MM237685;CC(C)OC(C)C#CC#N;SBZOPQDXWNJZMU-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237686;MM237686;C#CC#CC(C)CC(C)N;FLXDKVFTIWOJNY-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237687;MM237687;C#CC#CC(C)CC(F)F;VFDKIDWSMHDUAI-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237688;MM237688;C#CC#CC(N)CC(C)C;MUHAFIMQQCAYAJ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237689;MM237689;C#CC#CC(O)CC(C)F;YUEDTEZYOMGGMQ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237690;MM237690;C#CC#CC(O)CC(F)F;DPCOIXFREJWKLY-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237691;MM237691;C#CC#CC(F)CC(C)N;RJMTYOVKJBVOET-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237692;MM237692;CC(C#CCN)CC(=N)N;LRQVWYIUPHRCPC-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237693;MM237693;CC(C#CCF)CC(=O)O;QQYPXZNGMNKOGE-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237694;MM237694;C=C(C)CC(N)C#CCF;OSTZFNMGALXANM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237695;MM237695;C=C(F)CC(N)C#CCO;QCDHECZPMJPUSX-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237696;MM237696;C=C(C)CC(O)C#CCO;RFZOFZBYTUNAOQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237697;MM237697;CCC#CC(O)CC(C)=O;WYFNOURFZDEDBK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237698;MM237698;CCC#CC(O)CC(=N)N;OFFGYWCUVJOKLV-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237699;MM237699;N=C(N)CC(O)C#CCN;IRGLDPJCYJBUBG-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237700;MM237700;N=C(N)CC(O)C#CCO;MVLZECACMSRFPV-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237701;MM237701;NCC#CC(O)CC(N)=O;USOVXDNIVWCUAZ-UHFFFAOYSA-N;142.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237702;MM237702;NC(=O)CC(O)C#CCO;YPGYZQNBHQCZHL-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237703;MM237703;CCC(C=CCO)C(=O)O;ZAJKSRJIQMUYBY-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237704;MM237704;C=C(F)CC(O)C#CCN;GJMNSIFBCZXDTC-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237705;MM237705;CC(=N)NC(C)C#CCN;HXRCVBRZIIYLIB-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237706;MM237706;CC(=O)NC(C)C#CCN;BQHYXFADPWUTHD-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237707;MM237707;CC(C#CCF)NC(=N)N;KECUVAMDHFNOBZ-UHFFFAOYSA-N;143.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237708;MM237708;CC(C#CCF)NC(N)=O;ZIEFBIKTQAAOAU-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237709;MM237709;CCC#CC(C)OC(N)=O;NYPBEJAOEMORKT-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237710;MM237710;CC(C#CCN)OC(N)=O;PLRCJCOANHNLJK-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237711;MM237711;C=C(C)CC(C)C#CC#N;NRBGMCQEQJHENL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237712;MM237712;CC(=O)CC(C)C#CC=O;WWFNLDQFZLDHMA-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237713;MM237713;CC(C#CC#N)CC(=N)N;JEUFZIFWYARZAB-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237714;MM237714;C=CC#CC(C)CC(N)=O;WLCDOOBKSMRNEE-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237715;MM237715;CC(C#CC#N)CC(N)=O;ISBVJCRLGXJNNQ-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237716;MM237716;C=CC#CC(C)CC(=O)O;DCNLHSAGLGCIDV-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237717;MM237717;CC(C#CC#N)CC(=O)O;ALDTXAGXWAXWRL-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237718;MM237718;C=C(F)CC(C)C#CC#N;CPVNBJLASSSNQX-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237719;MM237719;N=C(N)CC(O)C#CC=O;DEBBIZSOOUJOBR-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237720;MM237720;NC(=O)CC(O)C#CC=O;IHTCAMVRJSZUEH-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237721;MM237721;C=C(CCCCO)C(=O)O;AGBXYMBFMIPLJC-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237722;MM237722;C=CC#CC(O)CC(=C)F;DYZJDAJVCFZQPZ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237723;MM237723;C=C(C)CC(F)C#CC#N;FFNMVHUQKRBWJD-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237724;MM237724;CC(=O)CC(F)C#CC=O;YQDUAYLPXCOLNI-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237725;MM237725;NC(=O)CC(F)C#CC=O;TVLKVWRNRWFHFS-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237726;MM237726;N#CC#CC(F)CC(N)=O;HASCKRSPSFOTNS-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237727;MM237727;CC(N)=NC(C)C#CC=O;ZTUPJONPJUMXRK-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237728;MM237728;C=CC#CC(C)NC(=N)N;OAKCJQQZOCCTPZ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237729;MM237729;C=CC#CC(C)OC(N)=O;JRIGZWNYEUQCLY-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237730;MM237730;CC(C#CC#N)OC(N)=O;KNILADFBGHFDHI-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237731;MM237731;C#CC#CC(C)CC(N)=O;SSQJHPCCJJWWPM-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237732;MM237732;C#CC#CC(O)CC(N)=O;ADCFMEQMZFUGEL-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237733;MM237733;C#CC#CC(O)CC(=C)F;BPTSEOBIFVIKQA-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237734;MM237734;C#CC#CC(F)CC(=O)O;VMALYSNCANMIPJ-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237735;MM237735;C#CC#CC(F)CC(=C)F;NYIWFPARRQKSBQ-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237736;MM237736;C#CC#CC(C)NC(=N)N;VEHAYAFSXGGNKJ-UHFFFAOYSA-N;135.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237737;MM237737;C#CC#CC(C)OC(=C)C;KSVAPOZDAMFYJN-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237738;MM237738;C=C(C#CCO)CC(C)C;ULVGEARLMOZQHF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237739;MM237739;C=C(C#CCF)CC(C)N;ZREPXFCZANNBIW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237740;MM237740;C=CC(O)CC1(C=O)CN1;KWGAGMYSVMFBQG-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237741;MM237741;C=C(C#CCO)CC(C)F;RBABVMOEOSFGRS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237742;MM237742;C=C(C#CCC)CC(F)F;WSDBAUMJHKGEDP-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237743;MM237743;C=C(C#CCN)CC(F)F;NDHCWZWIWUSIRA-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237744;MM237744;C=C(C#CCO)CC(F)F;PUOYDMXQYHGBAA-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237745;MM237745;CC(C)CC(=O)C#CCF;FGSVJEBMSQFFGR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237746;MM237746;CCC#CC(=O)CC(C)F;BGEQYTOZPNTBLL-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237747;MM237747;CC(F)CC(=O)C#CCF;HQGZKNHXFDEPFJ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237748;MM237748;O=C(C#CCF)CC(F)F;JDQMIRSSWPGXGC-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237749;MM237749;CC(C)NC(=O)C#CCF;WDYLRIUNHOBGCQ-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237750;MM237750;CCC#CC(=O)CN(C)C;PCQVSTYJZYMMHP-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237751;MM237751;CCC#CC(=N)NN(C)C;JHXBBTAEIGUPQY-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237752;MM237752;CN(C)NC(=N)C#CCN;LCNSFRTVQMPODB-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237753;MM237753;CN(C)NC(=N)C#CCO;WXGMFSJRZCJXCP-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237754;MM237754;CN(C)NC(=N)C#CCF;MLXLDUJWZVMYBY-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237755;MM237755;CCC#CC(=O)NN(C)C;LYBBTPFJKGUZDX-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237756;MM237756;CN(C)NC(=O)C#CCO;UTLCHEUDYCNBBE-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237757;MM237757;C=C(C#CC#N)CC(C)C;ICSSCCXIIMKBIC-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237758;MM237758;N=C(NO)C(F)C(F)=CF;GJKVGSSIKUDDJD-UHFFFAOYSA-N;154.09;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237759;MM237759;C=C(C#CC=O)CC(C)F;LWXOANOQYNXPOB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237760;MM237760;C=C(C#CC#N)CC(C)F;YLSFBKDEQKITQO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237761;MM237761;C=C(C#CC=O)CC(F)F;GPOUHNFKTKYRGF-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237762;MM237762;C=C(C#CC#N)CC(F)F;TZYANJJQIOKFSY-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237763;MM237763;C=CC#CC(=O)CC(C)F;ZVQMQJDLQYYCPK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237764;MM237764;N#CC#CC(=O)CC(F)F;UJQJPCMFUADJNZ-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237765;MM237765;CC(C)NC(=O)C#CC#N;NVENHWJBKABFSV-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237766;MM237766;CC(C)OC(=O)C#CC#N;RHEMUGHSLDSXIQ-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237767;MM237767;C=NN=CN(O)CCOC;XQQCVGUJPYCQQY-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237768;MM237768;CN(C)NC(=O)C#CC=O;BJFYZDHYEHNGMK-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237769;MM237769;CN(C)NC(=O)C#CC#N;WNJNRLWJCNSZNG-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237770;MM237770;C#CC#CC(=C)CC(C)C;SUFACVWRERAFNP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237771;MM237771;C#CC#CC(=C)CC(C)N;HEKWOZCYFNYSJT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237772;MM237772;C#CCCN(O)C=NOC;OVJLZSPZOYRTHS-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237773;MM237773;C#CC#CC(=C)CC(C)F;SLFOAMFWKLOGMG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237774;MM237774;C#CC#CC(=C)CC(F)F;LPWWOHDGTKHKSP-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237775;MM237775;C#CC#CC(=O)CC(C)C;VUYZXFBSCOYUQJ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237776;MM237776;C#CC#CC(=O)CC(C)F;PBBOFKIGXLRQBE-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237777;MM237777;C#CC#CC(=O)OC(C)C;FBDUKVBLCOTKLM-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237778;MM237778;C=C(C)CC(=C)C#CCN;JMPPWZPLUJICSI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237779;MM237779;C=C(C)CC(=C)C#CCO;LREIVBYTODQOBQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237780;MM237780;C=C(C)CC(=C)C#CCF;ZRSSNKPEKXWWKW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237781;MM237781;C=C(C#CCF)CC(=N)N;LIYQLUZWDVMFAF-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237782;MM237782;C=C(C)CC(=O)C#CCC;XJXZIQCPBHPOSX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237783;MM237783;C=C(C)CC(=O)C#CCF;MAAWBNNLXJKTKV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237784;MM237784;CCC#CC(=O)CC(=N)N;WLKAZEKREZSUAT-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237785;MM237785;N=C(N)CC(=O)C#CCO;YESWEDGTIPRLLR-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237786;MM237786;N=C(N)CC(=O)C#CCF;JUJDYAVHKMNMDW-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237787;MM237787;NC(=O)CC(=O)C#CCO;UGOAMMWTKVEGOC-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237788;MM237788;C=C(F)CC(=O)C#CCC;ZKFWOPCVRQWOIB-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237789;MM237789;C=C(F)CC(=O)C#CCF;QUXWFGMSFOURIO-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237790;MM237790;C=C(C#CCN)NC(C)=N;GRERAJSNXPEGBH-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237791;MM237791;C=C(C#CCO)NC(C)=N;UMUSRIZOOHQHMG-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237792;MM237792;C=C(C#CCO)NC(C)=O;BKTMADVPKOEDLW-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237793;MM237793;C=C(C#CCN)NC(=N)N;BHJBGZAVVGXIEK-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237794;MM237794;C=C(C#CCO)NC(=N)N;URUPOPBGCVIUFD-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237795;MM237795;C=C(C#CCC)NC(N)=O;PEOBXKADMCWOEA-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237796;MM237796;C=C(C#CCO)NC(N)=O;JRKKWMGLOJJRMZ-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237797;MM237797;C=C(C)NC(=N)C#CCN;APUZFLJJXNWQOX-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237798;MM237798;C=C(C)NC(=N)C#CCO;AEBRKWVYCXSGCW-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237799;MM237799;CCC#CC(=N)NC(C)=N;RLXWIDAVJCFKLI-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237800;MM237800;CC(=N)NC(=N)C#CCN;QHXXOWSYRMJPHL-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237801;MM237801;CCC#CC(=N)NC(C)=O;BZSGIKMJTLVIOL-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237802;MM237802;CC(=O)NC(=N)C#CCF;JMWXCLLJKJMXHN-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237803;MM237803;N=C(N)NC(=N)C#CCF;QPXTUKUUVROHCJ-UHFFFAOYSA-N;142.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237804;MM237804;N=C(C#CCF)NC(N)=O;GDWXSHCWXAPHRS-UHFFFAOYSA-N;143.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237805;MM237805;C=C(C)NC(=O)C#CCO;HYTPDTWIOWDNCH-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237806;MM237806;C=CC=NNCC(O)CC;HAYYUZZODQNPOJ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237807;MM237807;CNC(=O)CNN=CCO;LWNAYDAMHLHSKY-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237808;MM237808;CNC(=O)C=NOC=NN;ZEHCLGOQFZBHJB-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237809;MM237809;CCC#CC(=O)NC(C)=O;YCPOPPCQDUINBZ-UHFFFAOYSA-N;139.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237810;MM237810;CC(=O)NC(=O)C#CCF;AAHNVEPVVGWWIP-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237811;MM237811;N=C(N)NC(=O)C#CCN;QDSLZLRAMDWKER-UHFFFAOYSA-N;140.15;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237812;MM237812;N=C(N)NC(=O)C#CCO;SMFZJOORSYLTQT-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237813;MM237813;C=C(C)CC(=C)C#CC=O;MWIFATWFFCMBPP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237814;MM237814;C=C(C)CC(=C)C#CC#N;MFSMVZUFOMTCIS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237815;MM237815;C=C(C#CC=O)CC(C)=O;CYFKQKBDXKTFQH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237816;MM237816;C=C(C#CC#N)CC(C)=O;RPSKESYCDBVQHO-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237817;MM237817;C=CC#CC(=C)CC(=C)F;ZXWCYYALANTPRY-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237818;MM237818;C=C(F)CC(=C)C#CC#N;VWUBTKFOUJHPQY-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237819;MM237819;C=CC#CC(=O)CC(=C)C;GGKXZNUCFCLAJW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237820;MM237820;NC(=O)CC(=O)C#CC=O;AIRBVVLINGBKHQ-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237821;MM237821;N#CC#CC(=O)CC(N)=O;KIIPXYMEYKCAFR-UHFFFAOYSA-N;136.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237822;MM237822;C=C(F)CC(=O)C#CC#N;UWBPLRQCKYGQBK-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237823;MM237823;C=C(C#CC=O)NC(C)=O;KOGPWBIAJZFIIM-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237824;MM237824;C=CC#CC(=C)NC(=N)N;VRHMZHLZHWMGGK-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237825;MM237825;CC(=O)NC(=N)C#CC=O;CIBPNVIEKDRHDW-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237826;MM237826;CC(=O)NC(=N)C#CC#N;VIUUDOUYTQZJPL-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237827;MM237827;N=C(N)N=C(N)C#CC=O;UJDVJQFZYBPILU-UHFFFAOYSA-N;138.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237828;MM237828;N#CC#CC(=N)NC(=N)N;LZBOEYCICOJMDF-UHFFFAOYSA-N;135.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237829;MM237829;N=C(C#CC=O)NC(N)=O;RBKWVPZHVVUAOV-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237830;MM237830;N#CC#CC(=N)NC(N)=O;YEFWVSRPTPMNGN-UHFFFAOYSA-N;136.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237831;MM237831;C=C(C)NC(=O)C#CC=O;ROEGHSJQKRQAEV-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237832;MM237832;CC(CC=NN)C1(O)CC1;ZKRWFPBLCUMLIF-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237833;MM237833;C=NOC(C#N)C(=N)NO;IELJTGWLFGTIBS-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237834;MM237834;CC(=O)NC(=O)C#CC#N;OJASTZWMJNRRKU-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237835;MM237835;N#CC#CC(=O)NC(N)=O;QZDSAAXYLFCWQX-UHFFFAOYSA-N;137.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237836;MM237836;C=C(C)OC(=C)C#CC#N;PSNGHWSZOJZVJR-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237837;MM237837;C=C(C#CC=O)OC(C)=O;SNNVJPKLOZNLDZ-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237838;MM237838;C=C(C)OC(=O)C#CC#N;QCQCXQKVEXKARS-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237839;MM237839;C#CC#CC(=C)CC(=C)C;QKUHKEYCFVOCNS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237840;MM237840;C#CC#CC(=C)CC(C)=O;OLZPOYZXBNEKBD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237841;MM237841;C#CC#CC(=C)CC(=N)N;ZWLGQCLNLQSFBP-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237842;MM237842;C#CC#CC(=C)CC(N)=O;DDQZWLHBRFDSJN-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237843;MM237843;C#CC#CC(=C)CC(=C)F;WBJZJTXVMQFELI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237844;MM237844;C#CC#CC(=O)CC(=C)C;QMVDSWUTPGWIAR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237845;MM237845;C#CC#CC(=O)CC(=N)N;PJRSGKZQLCWRCH-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237846;MM237846;C#CC#CC(=O)CC(N)=O;VXYXCCUURISGRG-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237847;MM237847;C#CC#CC(=O)CC(=C)F;MMYOZOJAHIABQG-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237848;MM237848;C#CC#CC(=C)NC(=N)N;IGOWLPBUSCSZEX-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237849;MM237849;C#CC#CC(=O)NC(=C)C;CKGAKDRXQKNOAI-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237850;MM237850;C#CC#CC(=O)OC(=C)C;GDTSRPSWWHPUKQ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237851;MM237851;CC(=CCCN)CC(C)N;ISWGTSYMSZEWMO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237852;MM237852;CC(=CCCN)CC(C)F;AVLVGCVPZIBROT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237853;MM237853;CC(=CCCN)CC(F)F;KZXBDFUJYMAUGO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237854;MM237854;CC(=CCCF)CC(F)F;SBQJXSPDNQTGQN-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237855;MM237855;CC(C)CC(F)=CCCN;PRCCASFUIOZFJI-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237856;MM237856;CC(N)CC(F)=CCCN;PIGNEVJFOUUDOQ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237857;MM237857;CC(N)CC(F)=CCCF;ZAYVIAAQGNQQRD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237858;MM237858;CC(O)CC(F)=CCCF;WWESIFGKZJCRTH-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237859;MM237859;CC(F)CC(F)=CCCN;VXPITQWIRPBDTN-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237860;MM237860;NCCC=C(F)CC(F)F;FWMCLVVEUODRAM-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237861;MM237861;FCCC=C(F)CC(F)F;ZRDBABBWOXOLDE-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237862;MM237862;CNCC=C(C)CC(C)C;GCWYRTZZZOFPNK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237863;MM237863;CNCC=C(C)CC(C)F;RWBIFQRHVFSIET-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237864;MM237864;CNCC=C(C)CC(F)F;BLFUMFYMMAKPRI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237865;MM237865;CNCC=C(F)CC(C)F;KLIMJJWSOVTNIE-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237866;MM237866;CNCC=C(F)CC(F)F;YHOPDZXTPGKLSK-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237867;MM237867;CCOC=C(C)CC(C)N;UXHLTNJNIVCBCB-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237868;MM237868;CCOC=C(F)CC(C)N;ISPBHCVFNFHNCH-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237869;MM237869;CCNN=C(C)CC(C)C;ISNVSHWZBFOUPE-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237870;MM237870;CCON=C(C)CC(C)N;XDXUANLOOURGEV-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237871;MM237871;CC(=NC(C)C)NCCN;ZGJDQGYJVNYSED-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237872;MM237872;CC(=NC(C)C)NCCO;DMROYTVQSAIFLK-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237873;MM237873;CCNN=C(C)NC(C)C;MDVUVCWIUJRZAS-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237874;MM237874;CC(=CCCN)CN(C)C;JLSITFIXHNTMNZ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237875;MM237875;CC(=CCCO)CN(C)C;XUTFXCTYZKMAOX-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237876;MM237876;CC(=CCCF)CN(C)C;HMKDFTCRULKSFT-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237877;MM237877;CCCN=C(C)NN(C)C;NHYBGCZZLWDDFS-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237878;MM237878;CC(=NN(C)C)NCCO;YYAVVTXNTYKGSC-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237879;MM237879;C=CC(F)C(=NOC)NO;YJYQGMQMSNFJBM-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237880;MM237880;COCC(C#N)=C(N)CO;AVAWHKOESUOJCP-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237881;MM237881;CC(=CCC=O)CC(F)F;FWQLCBPWRPZPAT-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237882;MM237882;CC(C)CC(F)=CCC=O;ZHNAXVFVSOBVRR-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237883;MM237883;C=CCC=C(F)CC(C)N;MOFSAEPTGHFFBH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237884;MM237884;CC(O)CC(F)=CCC=O;UXHHDXDHNNMQJA-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237885;MM237885;CC(O)CC(F)=CCC#N;CDBNEWFIIGAYBJ-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237886;MM237886;CC(F)CC(F)=CCC=O;XCZRWHGBXFPVIT-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237887;MM237887;CC(=CNC=N)CC(C)C;ZPMQRKWJUBODOU-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237888;MM237888;CC(=CNC=O)CC(C)C;WRCRKXFAFNNIAX-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237889;MM237889;CC(=CNC=N)CC(C)N;DFCBHNAAODGBHP-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237890;MM237890;CC(=CNC=O)CC(C)N;LNNWLJQMFZVNER-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237891;MM237891;CC(=CNC=N)CC(C)F;NCIWPPXYVPACQB-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237892;MM237892;CC(=CNC=N)CC(F)F;UGKIMTKICFYPBE-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237893;MM237893;CC(N)CC(F)=CNC=N;SUZNODDCMMQVBF-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237894;MM237894;CC(O)CC(F)=CNC=N;KIFAVMLEGKVCJN-UHFFFAOYSA-N;146.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237895;MM237895;CC(F)CC(F)=CNC=N;ZKGUYXRLHTWWLM-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237896;MM237896;CC(F)CC(F)=CNC=O;ORAZXQUPMHIVEX-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237897;MM237897;N=CNC=C(F)CC(F)F;NQPMSLCTUOYSHA-UHFFFAOYSA-N;152.12;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237898;MM237898;C=COC=C(F)CC(C)N;DIQIHXRLEATFTM-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237899;MM237899;CC(CC(C)N)=NNC=N;UNGDTBYHTJSKME-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237900;MM237900;CC(CC(C)N)=NNC=O;VQWKQOIDBLVZQU-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237901;MM237901;CC(CC(C)O)=NNC=O;CPLRFUUSOHLSJQ-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237902;MM237902;C=CCNC(C)=NC(C)C;VUYXUVBZVFCFAB-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237903;MM237903;CC(=NC(C)C)NCC=O;AAHYDMRHEKLTDY-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237904;MM237904;CC(=CNC=N)OC(C)C;WCIZZMLGFGLQEE-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237905;MM237905;CC(=NNC=O)OC(C)C;VWYVJZQKDZPYIH-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237906;MM237906;C=CCC=C(C)CN(C)C;NVYSGQFOOAETAS-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237907;MM237907;CC(=CCC=O)CN(C)C;AIHRRJYWRHWWSR-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237908;MM237908;CC(=CNC=N)CN(C)C;NUQNZTQTSQBWGD-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237909;MM237909;CC(=CNC=O)CN(C)C;ORFJPMXDGYFHAC-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237910;MM237910;CC(=NN(C)C)NNC=N;YCTQVRXECXEVKX-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237911;MM237911;C#CCC=C(F)CC(F)F;SCBWODAKCPWXID-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237912;MM237912;C#CCN=C(C)NN(C)C;YGGAXKIPFCLWNY-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237913;MM237913;CC(=O)CC(C)=CCCF;YPILVLHNAIMFLN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237914;MM237914;CCCC=C(C)CC(=N)N;GRLQILUAALQUOM-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237915;MM237915;CC(=CCCF)CC(=N)N;WYOUJEWSFJJNNO-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237916;MM237916;CCON=C(CCO)NO;UCNHCIPEFJGJAS-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237917;MM237917;CC(=CCCN)CC(N)=O;XKICOCNVYZHILS-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237918;MM237918;CC(=CCCO)CC(N)=O;WHSXDWZNSHBNPY-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237919;MM237919;CC(=CCCF)CC(=O)O;IVXOLKJIQYZMCB-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237920;MM237920;C=C(C)CC(F)=CCCN;HGWTZISFHKYYDD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237921;MM237921;CCCC=C(F)CC(C)=O;XSOAGWHPRFQBQC-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237922;MM237922;CCCC=C(F)CC(=N)N;OKLQHFMZHWUCAM-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237923;MM237923;N=C(N)CC(F)=CCCF;OIYWFTTUYFYDES-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237924;MM237924;CCCC=C(F)CC(N)=O;FYYVPFJLZVPQOY-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237925;MM237925;NC(=O)CC(F)=CCCO;VUSUFXSQWZSAAL-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237926;MM237926;NC(=O)CC(F)=CCCF;YLPPONPAHOLISL-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237927;MM237927;O=C(O)CC(F)=CCCF;PCNDJVTVDALXPR-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237928;MM237928;C=C(F)CC(F)=CCCN;GHLPPIXDAAWFEW-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237929;MM237929;C=C(C)CC(C)=CCNC;GKUHHXRAQMUSMP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237930;MM237930;CNCC=C(C)CC(=N)N;ANFONWQERRXRNJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237931;MM237931;CNCC=C(C)CC(N)=O;QMRVUOOTDIFOLS-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237932;MM237932;C=C(F)CC(C)=CCNC;GTZYEQFWMGNRAU-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237933;MM237933;C=C(C)CC(F)=CCNC;SXUDJZWBEKCVGS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237934;MM237934;C=C(F)CC(F)=CCNC;GVQNVBABXVFZBL-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237935;MM237935;CCOC=C(F)CC(=N)N;FSKMHVKZFWITFS-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237936;MM237936;CCOC=C(F)CC(N)=O;JTRFYIVYDBPYGE-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237937;MM237937;C=C(C)CC(C)=NNCC;XGIKFFDBFVHCHT-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237938;MM237938;CCNN=C(C)CC(=N)N;OGKSHXROWMUGGW-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237939;MM237939;CC(=N)NC(C)=CCCF;KHIQHXJHRYHQCY-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237940;MM237940;CC(=O)NC(C)=CCCN;YHUNLJRTGSWZET-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237941;MM237941;CC(=O)NC(C)=CCCF;LAAQNQYCKHQKCG-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237942;MM237942;CC(=CCCN)NC(=N)N;GOJQKXTWDOLHCD-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237943;MM237943;CC(=CCCF)NC(=N)N;VWOTZBUESOWVET-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237944;MM237944;CC(=CCCN)NC(N)=O;SCPQGAGCMXLCBS-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237945;MM237945;CC(=CCCF)NC(N)=O;IJASCNZTCOFWOX-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237946;MM237946;CNCC=C(C)NC(N)=O;JJTICUYANYEBFE-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237947;MM237947;CCOC=C(C)NC(=N)N;BUNIIZNCEVEPIM-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237948;MM237948;C=C(C)N=C(C)NCCN;XRTYNWQYLGTYEQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237949;MM237949;CC(=O)NC(C)=NCCN;UQZYAECEHOTSIT-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237950;MM237950;CCCN=C(C)NC(=N)N;MHLCKXZIPPARLG-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237951;MM237951;CCN(CCO)N=CCO;IJKMAZNSLPEAMN-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237952;MM237952;CON=C(C=CCO)NO;BKYWMSCOLLOBJN-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237953;MM237953;CCNN=C(C)NC(=N)N;IKDXMSCMNXWSSJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237954;MM237954;CCON=C(C)NC(=N)N;FKNYAVJWTNENBI-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237955;MM237955;CC(=O)OC(C)=CCCF;MNVXNMDPDUNATO-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237956;MM237956;C=C(C)OC(C)=CCNC;QZABYPXXRZRFMZ-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237957;MM237957;C=C(C)OC(C)=NOCC;MONHKKNWOGPGKJ-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237958;MM237958;CCON=C(C)OC(C)=O;PVDGKSHPIILAHZ-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237959;MM237959;C=CCC=C(C)CC(=N)N;PBGXUEDJIKXSAU-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237960;MM237960;CC(=CCC#N)CC(=N)N;FNLPDNVGKNVCGY-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237961;MM237961;C=NN=C(C=CCO)NO;GTDWGGYJWSUUIG-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237962;MM237962;C=CCC=C(C)CC(=O)O;DZTMQAHKKWJNCL-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237963;MM237963;C=C(CC(C)CO)C(=O)O;LJYVDRQGPYYCGH-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237964;MM237964;CC(=CCC#N)CC(=O)O;XZEPSCLQMOQCPQ-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237965;MM237965;C=C(F)CC(C)=CCC=O;LVYCSDRBZFARPK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237966;MM237966;C=C(C)CC(F)=CCC=O;NRZORVQAPOFXJY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237967;MM237967;C=CCC=C(F)CC(C)=O;PIRLJUAZOREKPY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237968;MM237968;C=CCC=C(F)CC(=N)N;YNGUYOXOUFXXCJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237969;MM237969;C=CCC=C(F)CC(N)=O;CMKIENUJEQZHBE-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237970;MM237970;NC(=O)CC(F)=CCC=O;ODHYXJDBFLFCAV-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237971;MM237971;N#CCC=C(F)CC(N)=O;DKOYNTWUWYNWNA-UHFFFAOYSA-N;142.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237972;MM237972;C=CCC=C(F)CC(=O)O;LXZPSOWLIJYCBX-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237973;MM237973;C=C(F)CC(F)=CCC=O;MLMFNXKDFMWWPT-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237974;MM237974;C=C(C)CC(C)=CNC=N;PEOFLDJKDHUJBR-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237975;MM237975;C=C(C)CC(C)=CNC=O;SMKMRBJSBJWXMC-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237976;MM237976;CC(=CNC=N)CC(=N)N;JUTWRCFWSYSRGB-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237977;MM237977;C=C(F)CC(C)=CNC=N;ZPOPQUWDZJFJKV-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237978;MM237978;C=C(C)CC(F)=CNC=N;QNPUYJAXELDQEK-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237979;MM237979;C=C(CCC(C)O)C(=O)O;BBYITJHLPFVAKF-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237980;MM237980;NC(=O)CC(F)=COC=O;KYLWITRCJHCYBJ-UHFFFAOYSA-N;147.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237981;MM237981;OCC=C(F)C(CF)=NO;OAXMVFKXSLTZGM-UHFFFAOYSA-N;151.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237982;MM237982;C=CC(F)C(=NC)N(C)O;DNHKWXLAUUAMJU-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237983;MM237983;CC(CC(=N)N)=NNC=N;SIJJGTFLCZXNBP-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237984;MM237984;C#CC(C)C(=NN)N(C)O;QMCNGCQGVNGCDB-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237985;MM237985;CC(CC(N)=O)=NNC=O;IRSXKOBUBURCTA-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237986;MM237986;C=CCC=C(C)NC(C)=N;YDNHSPRYFMFBJB-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237987;MM237987;CC(=N)NC(C)=CCC=O;KLPCMPDMWCAFTO-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237988;MM237988;C=CCC=C(C)NC(C)=O;IVQACHMIWGRPII-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237989;MM237989;CC(=O)NC(C)=CCC=O;LBYFVOBGFPDQSX-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237990;MM237990;CC(=CCC=O)NC(=N)N;QZOGIYRFSKLBSO-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237991;MM237991;C=CCC=C(C)NC(N)=O;UEXMRZVWSBULJT-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237992;MM237992;CC(=CCC=O)NC(N)=O;XBFBFNICUZOVPL-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237993;MM237993;CC(=N)NC(C)=CNC=O;NPFICJGJTNGPKL-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237994;MM237994;CC(=CNC=O)NC(=N)N;VSMODSFXUGIBPH-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237995;MM237995;C=C(C)N=C(C)NCC=O;NPIQFLMIRGOIDZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237996;MM237996;CC(=O)NC(C)=NCC=O;GKFFBRJRLIXVFC-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237997;MM237997;CCC(=O)C(=NC)N(C)O;WSBBHRCRCHAVKF-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237998;MM237998;CC(=N)NC(C)=NNC=O;UXGNRUMVIQJKAL-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM237999;MM237999;CC(=O)NC(C)=NNC=O;ARZIHMVUGRJRDL-UHFFFAOYSA-N;143.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238000;MM238000;CC(=NOC=O)NC(N)=O;XGVWRROSMBMIQJ-UHFFFAOYSA-N;145.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238001;MM238001;CC(=O)OC(C)=CCC=O;IYHHHSSQCNTNAV-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238002;MM238002;C=NNCC(=NN)N(C)O;KFZDQLOJGLFPQM-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238003;MM238003;C=C(C)OC(C)=NNC=O;SVILIBMVRYFTTR-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238004;MM238004;C#CCC=C(C)CC(=O)O;YPZWVUWLYMYPGD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238005;MM238005;C#CCC=C(F)CC(=N)N;NNXGJQXIKGESKD-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238006;MM238006;C#CCC=C(F)CC(=O)O;SQHQWUWZBKPXFP-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238007;MM238007;C#CCC=C(C)NC(C)=O;YAUCBUILUCDFMP-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238008;MM238008;C#CCN=C(C)NC(C)=N;LKGJJAOMLBWVJJ-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238009;MM238009;C#CCN=C(C)NC(=N)N;IICPOJGIHQTHDW-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238010;MM238010;CON=CC(OC)C(N)=O;MVIQCAWAODCWBQ-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238011;MM238011;CC(=CC=NO)CC(C)N;RPDGRYLLXYPBEP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238012;MM238012;CC(=CC=NN)CC(C)F;DORGBQQPQANUAV-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238013;MM238013;CC(=CC=NO)CC(C)F;CBVFXEXRKLCHQF-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238014;MM238014;C#CCN=C(C=O)N(C)O;PTHBDKDYFBBTMZ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238015;MM238015;CN(O)C(CF)=NC=NN;CBKXNDZJBMKKBY-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238016;MM238016;CC=NN=C(C)CC(C)N;KPASBEZSXQLURJ-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238017;MM238017;CC=NN=C(C)CC(C)O;YNRKYHVPGAUGKO-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238018;MM238018;CC(C)NC(=N)C=CNO;KOEAVXAQYLABRP-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238019;MM238019;CN=CN=C(C)NC(C)C;DFSDCMQZWLPZNS-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238020;MM238020;CC(=NC=NO)NC(C)C;SWUCDWDENLBILI-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238021;MM238021;CC=NN=C(C)OC(C)C;WDOKGYSWUHUPBP-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238022;MM238022;CC=CC=C(C)CC(=N)N;FGPHRGJQSFUKMM-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238023;MM238023;CC(=CC=CF)CC(=N)N;IMXSHWSNDNUQMN-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238024;MM238024;C=NOC(=O)C(=CN)CO;NCGRTQLNUYOUEF-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238025;MM238025;CC(=CC=CF)CC(N)=O;GSVVZVLROIPSBU-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238026;MM238026;CC=CC=C(C)CC(=O)O;KBLCLEADDGCGHT-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238027;MM238027;CC(=CC=CF)CC(=O)O;WFAKQSBWKPNLRV-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238028;MM238028;CC=CC=C(F)CC(C)=O;XSBSPAZDDMVWJP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238029;MM238029;CC=CC=C(F)CC(=N)N;WUJXYHJMXIUBMJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238030;MM238030;CC(=CC=NO)CC(N)=O;BMQKMEAKOIWQEQ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238031;MM238031;N=C(N)CC(N)=CC=NN;HISMWZYCJYJTFV-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238032;MM238032;N=C(N)CC(N)=CC=NO;KKVFMUHPGIOZKZ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238033;MM238033;N=C(N)CC(F)=CC=NN;RAFCWTUMXQWIGF-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238034;MM238034;N=C(N)CC(F)=CC=NO;XYJTUDMEYOWLHR-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238035;MM238035;CC=CN1C=NC(=NN)C1;XBVSMMLUXKSXEC-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238036;MM238036;NC(=O)CC(F)=CC=NO;KFBUQZIJVFXRDL-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238037;MM238037;O=CC=C1C=C(CO)NN1;MICRUBQPTJNTGO-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238038;MM238038;COC(=NO)C(F)C(C)=O;LOEHQIDWFVFGFF-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238039;MM238039;CC(=N)NC(C)=CC=CF;AOROOBGYOAOKFK-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238040;MM238040;CC=CC=C(C)NC(=N)N;DSORSFSBCLOWAW-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238041;MM238041;CC(=CC=CF)NC(=N)N;PHWPJJQBRTYJMB-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238042;MM238042;CC=CC=C(C)NC(N)=O;IGUSVVOIJWTLKR-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238043;MM238043;CC(=CC=CF)NC(N)=O;MXYKPZZAFHVGKN-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238044;MM238044;CC(=N)NC(C)=CC=NN;ROGNQHGOXSFTKJ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238045;MM238045;CCCc1cnc(NC)o1;YJXMEOOMXUHHFL-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238046;MM238046;CC(=CC=NN)NC(=N)N;MMZKZCXROREGDT-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238047;MM238047;CC(=CC=NO)NC(=N)N;WMTBHNFVUZUNHX-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238048;MM238048;CNc1n[nH]c(OC)c1C;HSVDAWYYDUMFOO-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238049;MM238049;C=CC#CC1NC1C(C)O;YAFDZSJQCPJZSL-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238050;MM238050;OCC=NOCCCCO;GJJFLIGTODGXHS-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238051;MM238051;N=C(N)NC(=N)C=CNO;QXXMGCXYOXJQMA-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238052;MM238052;NN=CNOC(N)=O;QJQKOOBCBNQHRL-UHFFFAOYSA-N;118.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238053;MM238053;NN=CN(O)CCF;BPUNIATUBXIEOU-UHFFFAOYSA-N;121.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238054;MM238054;CC(=N)NC(C)=NC=NO;NKEDLMHSEORLOS-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238055;MM238055;CC(C#N)=C(N)CO;KXZLLFQJEMSDCC-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238056;MM238056;CC(=NC=NO)NC(N)=O;WLFJRYPBTDXOPH-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238057;MM238057;CC(O)C1NC1C=O;XTVOMWZCMGXBCQ-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238058;MM238058;CC=NN=C(C)NC(C)=O;DLKJGKSMOYBMLB-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238059;MM238059;N=CNN=C(N)NC(=N)N;UYKORRFVOKSTTQ-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238060;MM238060;C=C(C)OC(C)=NN=CC;BUTNZFLADVBUAF-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238061;MM238061;CC=NN=C(C)OC(C)=O;UPYLVLBSHLRSAT-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238062;MM238062;CC#CC=C(F)CC(=N)N;MASMMVNDBISNTL-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238063;MM238063;CC(F)=CC(N)CCCF;KSRHPEIAZGYHDK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238064;MM238064;CCCCC(N)C=C(F)F;VJMLKPNVVOYRDL-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238065;MM238065;NCCCC(N)C=C(F)F;NUPZACINGZFTBT-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238066;MM238066;NC(C=C(F)F)CCCO;WFCBPZWTJRGFLC-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238067;MM238067;NC(C=C(F)F)CCCF;ZRPOJZLNQOLTJZ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238068;MM238068;NCCCC(O)C=C(F)F;FXECDRKGZYEXFX-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238069;MM238069;OCCCC(O)C=C(F)F;CRQVCHYTZNETLI-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238070;MM238070;CC(C)=CC(F)CCCN;MMLYEKUAQVWCSR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238071;MM238071;CC(C)=CC(F)CCCO;WISJMFCZWFRWGT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238072;MM238072;CC(C)=CC(F)CCCF;BUVWEGUISVRPGA-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238073;MM238073;CC(F)=CC(F)CCCN;GGNBYCNHYRSMDC-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238074;MM238074;CC(F)=CC(F)CCCF;KGKYPKWQACDAFE-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238075;MM238075;OCCCC(F)C=C(F)F;JSNIEWNXKDJMJY-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238076;MM238076;CNCCC(C)C=C(C)C;PUMPHCZIZLEBNT-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238077;MM238077;CNCCC(C)C=C(C)F;KAUCCPBTGVMUAP-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238078;MM238078;CNCCC(C)C=C(F)F;YEPXUIJAXFLSTE-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238079;MM238079;CCNCC(C)C=C(C)C;YKVYKFTUEGJYKH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238080;MM238080;CCNCC(C)C=C(C)F;KAYDITRONBJORT-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238081;MM238081;CCNCC(C)C=C(F)F;PBMFZORMRGEMFV-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238082;MM238082;CCNCC(F)C=C(C)C;YUKVJEDDHXOCTG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238083;MM238083;CCNCC(F)C=C(C)F;DBQIMEYJUJYMFE-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238084;MM238084;CCNCC(F)C=C(F)F;ZBBHZRKQQHPFKF-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238085;MM238085;CCCNC(C)C=C(C)C;PLUSCGAGDSMUFB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238086;MM238086;CCCNC(C)C=C(C)F;YHNVRHGDNWOERN-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238087;MM238087;CCCNC(C)C=C(F)F;ZRALLRUZHUALHV-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238088;MM238088;CC(C)=NN(C)CCCF;MAQNPMJKULYRMR-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238089;MM238089;COCCN(C)N=C(C)C;OIYZBTSEHYRXJW-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238090;MM238090;CC(C=C(F)F)CCC=O;JDASOWQKVRQKJW-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238091;MM238091;C=CCCC(N)C=C(C)F;RGNMQGVSZZMVMV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238092;MM238092;CC(C)=CC(F)CCC=O;LVICVGDVCIXEBX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238093;MM238093;CC(F)=CC(F)CCC=O;MBJPQRWJDOMAOP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238094;MM238094;CC(C=C(F)F)CNC=O;DVHQQXCYDUJLTD-UHFFFAOYSA-N;149.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238095;MM238095;CC(C)=CC(O)CNC=O;ZQBSTJZTDTZQJW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238096;MM238096;CN=CN(O)CC(N)=O;LJHVFWOPSUCWTM-UHFFFAOYSA-N;131.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238097;MM238097;C=NNCC(N)C=C(C)F;CBIAWWFMDRXYOI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238098;MM238098;C=CC1(C)NC1C(C)O;NWZXSDYBLYHJTK-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238099;MM238099;CC(O)COCC=NN;NXRWZBPGAKOFQM-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238100;MM238100;CC(C=C(F)F)COC=O;VIUMQVZADSHZQZ-UHFFFAOYSA-N;150.12;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238101;MM238101;CC(F)=CC(N)COC=O;AEJKEJWZYCTCCA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238102;MM238102;NC(C=C(F)F)COC=O;VYXHJTMCXKCYJX-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238103;MM238103;C=COCC(O)C=C(C)F;WOJNMRUNQIXOOS-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238104;MM238104;NN=COCOC(N)=O;FCSZRZVPZKAITM-UHFFFAOYSA-N;133.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238105;MM238105;C=CCNC(C)C=C(C)C;XJYPXKFQLIGMSH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238106;MM238106;CC(C)=CC(C)NNC=N;KZAPNSRYGYLYEC-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238107;MM238107;CNN=CN(O)CCF;LOHHJFZZBGWCMD-UHFFFAOYSA-N;135.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238108;MM238108;CC=NN=C(C)N(C)O;DZTPMACIWDXKJD-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238109;MM238109;CC(C)=CC(C)ONC=O;MTGWMUKWAZEMGR-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238110;MM238110;C=CCCN(C)N=C(C)C;NVYDUJICCQVWSE-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238111;MM238111;CCN(O)C=NOC=O;ACKNKYBWLREALT-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238112;MM238112;CC(C)=NN(C)CCC#N;VEJPHMAHLRBYLR-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238113;MM238113;C#CCCC(F)C=C(F)F;CNOUOGNQVNEEOA-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238114;MM238114;C=C(C=C(C)F)CCCN;WTLZYCUTUWBJEI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238115;MM238115;C=C(C=C(C)F)CCCF;VLVXLRUZDYXNOQ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238116;MM238116;N=C(NO)C(F)CCO;KBVANCOWKSEMRZ-UHFFFAOYSA-N;136.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238117;MM238117;CCCCC(=O)C=C(C)C;XKTQVJODAZKGGU-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238118;MM238118;CCCCC(=O)C=C(C)N;NNFOTIIRUAYAJK-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238119;MM238119;CCCCC(=O)C=C(C)F;MOXOLDSTBKPKGO-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238120;MM238120;CC(F)=CC(=O)CCCF;KLLZQRGLWOIWRO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238121;MM238121;CCCCC(=O)C=C(N)N;DHIXQKRAQLWGSH-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238122;MM238122;C=C(C=C(C)C)CCNC;DMOSHTZPZLWYJD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238123;MM238123;C=C(C=C(C)F)CCNC;LHBBEIKOTDPWMD-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238124;MM238124;C=C(C=C(F)F)CCNC;UIGNRSDDXGEPGC-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238125;MM238125;CNCCC(=O)C=C(C)N;UHPHPLWBQYVYRY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238126;MM238126;CNCCC(=O)C=C(N)N;SRMWWDKOZFYXRU-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238127;MM238127;CNCCC(=O)C=C(F)F;CUVCKJNFVCJAAP-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238128;MM238128;COCCC(=O)C=C(C)C;JFWYHAGHZBAXGG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238129;MM238129;C=C(C=C(C)C)CNCC;HERDTZUGMBEWEZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238130;MM238130;CCNCC(=O)C=C(C)C;ISNSETAOBOQNES-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238131;MM238131;CCNCC(=O)C=C(F)F;UYQOVWBAFKMTDK-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238132;MM238132;CCCNC(=N)C=C(C)N;FMLGGDSPAIDCFE-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238133;MM238133;CC(N)=CC(=N)NCCO;LCPOLQVXNHHJBU-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238134;MM238134;CC(N)=CC(=N)NCCF;YNHGJBKPSVBZLB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238135;MM238135;CC(F)=CC(=N)NCCN;OKRZOKDBDHPRQM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238136;MM238136;CC(F)=CC(=N)NCCF;DAXQIFCESGIUNM-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238137;MM238137;N=C(C=C(N)N)NCCO;CTCRDOGUVMKGNH-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238138;MM238138;CNN=C(CCO)NO;WZHOXFVWKOQATC-UHFFFAOYSA-N;133.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238139;MM238139;CCN=C(NO)C(F)F;QCGJFNBZQLNHTO-UHFFFAOYSA-N;138.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238140;MM238140;CC(F)=CC(=O)NCCF;QTOVDKXLVCMNOG-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238141;MM238141;CN(O)C(C=NN)=NN;WPWACMBFAFAYIS-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238142;MM238142;CCNNC(=N)C=C(C)F;SOMOSDSEBVOBDF-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238143;MM238143;CCN=C(CF)N(C)O;ZIIUHPLQZAMLIG-UHFFFAOYSA-N;134.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238144;MM238144;C=C(F)C(=NC)N(C)O;LWYWWONYTDVCDW-UHFFFAOYSA-N;132.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238145;MM238145;CCONC(=N)C=C(C)N;ZDECQJNJOCVEHZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238146;MM238146;CCONC(=O)C=C(N)N;DLMYEZOGLTXYNE-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238147;MM238147;C=C(C=C(C)F)OCCO;IXSYLZCBMRURQI-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238148;MM238148;CC(C)=CC(=O)OCCF;HZZIBYCDDRTSIF-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238149;MM238149;NC(N)=CC(=O)OCCF;UIUHGWROBIUGOL-UHFFFAOYSA-N;148.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238150;MM238150;NCCOC(=O)C=C(F)F;GMDNTINTOIEBCA-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238151;MM238151;C=C(C=C(C)C)OCOC;XJSDLZUFGIBNTK-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238152;MM238152;COCOC(=O)C=C(C)F;WDBZXMBDFQQPRB-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238153;MM238153;COCOC(=O)C=C(N)N;GFXSQNFDGMUVKA-UHFFFAOYSA-N;146.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238154;MM238154;C=C(C=C(C)F)CCC=O;DHRHULSSCDPDRB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238155;MM238155;C=CCCC(=C)C=C(F)F;QMPNIAWTOQLSTE-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238156;MM238156;C=C(C=C(F)F)CCC=O;HYDZFQJKHRHBCO-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238157;MM238157;C=CCCC(=O)C=C(C)C;VZQDTIGQWXDGOJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238158;MM238158;CC(C)=CC(=O)CCC=O;HOXCORMEOKUFBF-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238159;MM238159;C=CCCC(=O)C=C(C)N;OLKIIEFJCQFJLC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238160;MM238160;C=CCCC(=O)C=C(C)F;HJAVHBIAYVSTAL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238161;MM238161;CC(F)=CC(=O)CCC=O;QCZRIRCVDARZTF-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238162;MM238162;C=CCCC(=O)C=C(F)F;LZSFWSHIXAPEMY-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238163;MM238163;CC(F)=CC(=O)CNC=O;DGNXSUCUYAJJGW-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238164;MM238164;C=COCC(=O)C=C(C)C;LOOTWVRQDXUOMF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238165;MM238165;CC(F)=CC(=O)COC=O;TUZLRSSLRYHRMR-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238166;MM238166;CC(C)=CC(=N)NCC=O;WHMSGJBIYUIUHZ-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238167;MM238167;C=CCNC(=N)C=C(C)N;KTBDSHMCNQUXDJ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238168;MM238168;N#CCNC(=N)C=C(N)N;ILVCPLHXXUGBPJ-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238169;MM238169;CC(N)=CC(=O)NCC#N;JAKKDTMKRKFXPF-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238170;MM238170;CC(F)=CC(=O)NCC#N;RSAYBWVBUCGQSO-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238171;MM238171;N#CCNC(=O)C=C(N)N;DQJNMTYNWGUCKE-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238172;MM238172;C=CCNC(=O)C=C(F)F;MDEXTBCGZOKWJZ-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238173;MM238173;O=CCNC(=O)C=C(F)F;JANPVPQSSOSVGO-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238174;MM238174;N#CCNC(=O)C=C(F)F;VFMYYTMTWOWWCU-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238175;MM238175;CC(F)=CC(=N)NNC=N;JRDVBKVDKUTJQW-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238176;MM238176;CC(C)=CC(=O)NN=CN;MIUWJZDBWDDIPU-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238177;MM238177;CC(F)=CC(=O)NNC=O;SALYYESFQZFIAP-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238178;MM238178;CC(F)=CC(=N)NOC=O;LYJWJJYBEOKKKS-UHFFFAOYSA-N;146.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238179;MM238179;O=CONC(=O)C=C(F)F;WUJINEYNYZHYJD-UHFFFAOYSA-N;151.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238180;MM238180;C=CCOC(=O)C=C(C)N;ZQQKPYARJDTPAI-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238181;MM238181;C=CCOC(=O)C=C(C)F;CQHDCZHSZYKKOF-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238182;MM238182;CC(F)=CC(=O)OCC=O;KZEKZPAKLPXAOU-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238183;MM238183;CC(F)=CC(=O)OCC#N;JRUOSKJIUTVIPV-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238184;MM238184;CC(C)=CC(=O)ONC=O;DURMYQGKBVUMNJ-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238185;MM238185;N#CCN1CCC(O)C1;ZJKMVVGNSMLLAV-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238186;MM238186;O=CNOC(=O)C=C(F)F;CDOOJFDFEWOENL-UHFFFAOYSA-N;151.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238187;MM238187;C#CCCC(=C)C=C(F)F;WSXNOJFHPCLKHF-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238188;MM238188;C#CCCC(=O)C=C(C)C;MBHYZMZEHNECQO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238189;MM238189;C#CCCC(=O)C=C(C)N;BKPNZBTUCMPJEB-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238190;MM238190;C#CCCC(=O)C=C(F)F;PFNVRPYKNWFWNN-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238191;MM238191;C#CCNC(=O)C=C(C)N;KPKHTPDJQVOQNG-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238192;MM238192;C=CCc1cc(C)n[nH]1;YLURINXRCHKMBH-UHFFFAOYSA-N;122.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238193;MM238193;ON=CCC(O)C=C(F)F;VBHHITKUIMFSES-UHFFFAOYSA-N;151.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238194;MM238194;CC(C=C(F)F)N=CNN;LFXARFFNEHJNDO-UHFFFAOYSA-N;149.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238195;MM238195;CC=CCC(=O)C=C(C)C;XFTOIXBFHFBUIQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238196;MM238196;CC(C)=CC(=O)CC=CF;SSRWVGAOYDIETD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238197;MM238197;CC(N)=CC(=O)CC=CF;BFWYHZPJFXZUGJ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238198;MM238198;CC=CCC(=O)C=C(C)F;WPRVEIIBVUCCDA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238199;MM238199;CC=CCC(=O)C=C(N)N;DRMAISFEJVLVFE-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238200;MM238200;NC(N)=CC(=O)CC=CF;GZXSXYRGHYBIOD-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238201;MM238201;C=C(C=C(F)F)CC=NN;POEOMLWOWVLBTD-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238202;MM238202;NC(N)=CC(=O)CC=NO;GTLPUUOSGMRAFR-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238203;MM238203;C=C(C=C(C)F)N=CNN;IDGNVTALNKYWIK-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238204;MM238204;CC(N)=CC(=N)NC=NN;FAXXEFQDGKAINK-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238205;MM238205;N=C(C=C(N)N)NC=NN;WRDGIYKFUQDJOG-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238206;MM238206;CC#Cc1cc(C)[nH]n1;GNTFHRYRLKJUDB-UHFFFAOYSA-N;120.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238207;MM238207;CC(C)=CC(=O)NC=NN;WZHCJOPANKIWBL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238208;MM238208;CC(F)=CC(=O)NC=NN;PYYHZENZURATRJ-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238209;MM238209;CC(F)=CC(=O)NC=NO;GTWUSJTWQNTMAZ-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238210;MM238210;CC=COC(=O)C=C(C)N;VYOBXVNUNGWNBI-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238211;MM238211;CC=COC(=O)C=C(C)F;VQDVOZKBUUOLFI-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238212;MM238212;CC=COC(=O)C=C(N)N;AYUOWMFRFJQZIE-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238213;MM238213;NN=CC1=CC(O)CC1;JDNWTRMRJDJEHU-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238214;MM238214;C=C(C=C(C)C)OC=NO;SGCNVPVEFSMNRI-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238215;MM238215;CNC(CO)=C(C)C#N;ILTCHHSFNSVALN-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238216;MM238216;CC(N)=CC(=O)OC=NO;OOFNZVQECUIYHF-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238217;MM238217;CCc1cnc(NC)o1;GDHBHHZLILXYBZ-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238218;MM238218;NC(N)=CC(=O)OC=NO;NIYHCBVCIJRRDG-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238219;MM238219;CC=NOC(=O)C=C(C)C;UKVAQVJHBIZNHD-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238220;MM238220;CC(C)(F)CN(O)C=NN;VZDSMLHTSZDNAR-UHFFFAOYSA-N;149.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238221;MM238221;CC=NOC(=O)C=C(C)F;CTUWQSCUWSDXCH-UHFFFAOYSA-N;145.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238222;MM238222;CC=NOC(=O)C=C(N)N;YFXWZZOKOGPPIJ-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238223;MM238223;CC(C)=CC(N)C=CCO;CVOPZGMXANZQGM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238224;MM238224;CCC=CC(N)C=C(F)F;DUUIWLKDFYMWBZ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238225;MM238225;NCC=CC(N)C=C(F)F;UFQCNIKKVZXEAW-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238226;MM238226;CC(C)=CC(O)C=CCN;PUPJJDLPJVAHSF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238227;MM238227;CC(C)=CC(O)C=CCF;BPWVOJXTONQJOA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238228;MM238228;CC(C)=CC(F)C=CCO;HAHISUNVCNVXNO-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238229;MM238229;CON=CC(N)C=C(C)C;RTCCHRXYFMQINT-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238230;MM238230;CON=CC(N)C=C(C)F;QGDUQIZVAHHPED-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238231;MM238231;CN=CN(O)CC(F)(F)F;XAQDOZLMJAEJNL-UHFFFAOYSA-N;156.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238232;MM238232;CCN=C(NO)C(C)(F)F;RAZQLODXPURDFI-UHFFFAOYSA-N;152.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238233;MM238233;CON=CN(N)C=C(C)F;DUXPRHGCAPGKBF-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238234;MM238234;CNCC(F)(F)C(=N)NO;VOHVAFAFURQKHM-UHFFFAOYSA-N;153.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238235;MM238235;CON=CN(C)N=C(C)C;YOJPQWWDTULSBO-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238236;MM238236;CC(C=CC=O)C=C(F)F;IOCNXWOQYAKWPU-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238237;MM238237;CC(C=CC#N)C=C(F)F;GXJYOFDWDKNFJU-UHFFFAOYSA-N;143.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238238;MM238238;C=CC=CC(N)C=C(C)C;CMZCLLKIQUZFEK-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238239;MM238239;CC(F)=CC(O)C=CC=O;XNLHAVKOAIGXTF-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238240;MM238240;CC(F)=CC(O)C=CC#N;PGCOBKZSMPZEMS-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238241;MM238241;C=NN=CC(C)C=C(C)C;XKVLHEXHAWBATA-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238242;MM238242;C=NN=CC(O)C=C(C)F;VTHCJWUAZHCAPR-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238243;MM238243;CC(C)=CN(C)C=NC=O;OKPHPODOXGSVPM-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238244;MM238244;CC(F)=CN(C)C=NC=N;JUSWRQDLKGMXCX-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238245;MM238245;CN(C=NC=O)C=C(F)F;VJYSVQKJHXHNIJ-UHFFFAOYSA-N;148.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238246;MM238246;N=CN=CN(N)C=C(F)F;XOXUQAWOVLPKLY-UHFFFAOYSA-N;148.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238247;MM238247;NN(C=NC=O)C=C(F)F;ISBDWTHFXJYFJS-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238248;MM238248;CC(F)=CN(O)C=NC=O;MDJOBTCFVWSUNB-UHFFFAOYSA-N;146.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238249;MM238249;O=CN=CN(O)C=C(F)F;LEGBOANEUIHAEU-UHFFFAOYSA-N;150.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238250;MM238250;C=NN=CN(N)C=C(C)F;KYCCZTRPQZJJNE-UHFFFAOYSA-N;144.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238251;MM238251;C=NN=CN(O)C=C(C)F;DZWBNBSNRXUACX-UHFFFAOYSA-N;145.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238252;MM238252;C#CC=CC(O)C=C(C)F;KLYVQPCRIUYYKW-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238253;MM238253;CCC=CC(=O)C=C(C)N;DNGHVGGGZAYVTH-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238254;MM238254;CC(N)=CC(=O)C=CCO;VQNNFYCVRHRKSG-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238255;MM238255;CC(F)=CC(=O)C=CCO;AFFJNXLCXPPTNS-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238256;MM238256;CCC=CC(=O)C=C(N)N;YAKMXVMUBZBWAI-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238257;MM238257;CNC=CC(=O)C=C(C)F;JUEVCSIRPOISRP-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238258;MM238258;CNC=CC(=O)C=C(F)F;VBYQJCPNJYCXIT-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238259;MM238259;COC=CC(=O)C=C(C)N;VXRPSONGIMWLEY-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238260;MM238260;CC(F)C(F)(F)C(=N)NO;IFMPWCWHRARADH-UHFFFAOYSA-N;156.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238261;MM238261;CC(C=NN)(CO)C(F)F;YPRMWHKEWRRMAU-UHFFFAOYSA-N;152.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238262;MM238262;CON=CC(=O)C=C(C)F;ZMPNVLQQUNHRMU-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238263;MM238263;NC(N)=CC(=O)C=CC=O;HVVAKFOQAXEANH-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238264;MM238264;N#CC=CC(=O)C=C(N)N;UOBBFOPWWAANJB-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238265;MM238265;CC(C#CCN)C=C(F)F;AVNJYKLZABHZEZ-UHFFFAOYSA-N;145.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238266;MM238266;CC(F)=CC(O)C#CCN;KSLIWWMNHJEXDL-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238267;MM238267;CC(F)=CC(O)C#CCO;BUFYTNFVUUDFSX-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238268;MM238268;CC(C)=CC(C)C#CC#N;QQOXWUAORTUNFU-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238269;MM238269;CC(C#CC#N)C=C(F)F;KTPJAYWQKVSGKL-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238270;MM238270;C=CC#CC(O)C=C(C)F;LOJSWEIWTUBDBM-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238271;MM238271;CC(F)=CC(O)C#CC=O;PWLPIUWQHCVGDG-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238272;MM238272;O=CC#CC(O)C=C(F)F;WOIDSNBOPKKYNX-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238273;MM238273;C#CC#CC(C)C=C(C)C;WRXUDDHHSIEHEI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238274;MM238274;C#CC#CC(O)C=C(C)C;IJMYBUVFURTZBF-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238275;MM238275;C#CC#CC(O)C=C(C)F;LUEYVPLGHMAFDX-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238276;MM238276;C#CC#CC(F)C=C(C)C;DUANEWMGRMWWBQ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238277;MM238277;CCC#CC(=O)C=C(N)N;HNBLJQVAOXSJHZ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238278;MM238278;NC(N)=CC(=O)C#CCO;YAXPLOBMLIZNHM-UHFFFAOYSA-N;140.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238279;MM238279;C=CC#CC(=C)C=C(C)C;PQSHCUBAOCACIV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238280;MM238280;C=CC#CC(=C)C=C(F)F;SBGYCQLXXZYEHQ-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238281;MM238281;C=C(C#CC#N)C=C(F)F;FNNPVLYPZWBBNO-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238282;MM238282;C=CC#CC(=O)C=C(C)C;GYFHWSITBOPIJQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238283;MM238283;CC(C)=CC(=O)C#CC=O;MBFBBSNNQQULBA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238284;MM238284;C=CC#CC(=O)C=C(C)N;YBCVTIRUEHSRDH-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238285;MM238285;CC(N)=CC(=O)C#CC#N;HAQAOKWQSIEXQL-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238286;MM238286;NC(N)=CC(=O)C#CC=O;LKZQYDZPXAWOGM-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238287;MM238287;N#CC#CC(=O)C=C(N)N;XOTJJPQIVPTVAC-UHFFFAOYSA-N;135.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238288;MM238288;C#CC#CC(=C)C=C(C)C;MIPMEIIRXRTEQB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238289;MM238289;C#CC#CC(=C)C=C(F)F;LCPJIFIVHRQPKK-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238290;MM238290;C#CC#CC(=O)C=C(C)C;VMJMVRWBYJLBTN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238291;MM238291;C#CC#CC(=O)C=C(C)N;XOYINDWTYBALID-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238292;MM238292;C#CC#CC(=O)C=C(F)F;VUAZWFXSNAVDFO-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238293;MM238293;CC(F)=CC(C)=CCCN;JEMJCTCKANCCIO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238294;MM238294;CC(C)=CC(F)=CCCN;HTATYYDPIHBKJU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238295;MM238295;NCCC=C(F)C=C(F)F;MBUDPQXNBPFIFC-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238296;MM238296;CNCC=C(C)C=C(C)C;FHAIYWTZMKLSSQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238297;MM238297;CNCC=C(C)C=C(C)F;ZFRSJDDTYSJAQJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238298;MM238298;CNCC=C(F)C=C(C)C;LFLDXVKXZZFVSA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238299;MM238299;CCON=C(C)C=C(C)C;LKCIEPVYJASXJH-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238300;MM238300;CCON=C(C)C=C(C)F;DXPNMZKATBLDSA-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238301;MM238301;CCON=C(C)C=C(F)F;PUDCHBJABAWBHL-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238302;MM238302;N=C(N)NC(N)=NCCO;XDHJUHMPLHSWKN-UHFFFAOYSA-N;145.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238303;MM238303;CC(F)=CC(C)=CCC=O;VLTZWZJUYUBAEV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238304;MM238304;CC(C=C(F)F)=CCC=O;VCPNISFXQMICSV-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238305;MM238305;CC(C)=CC(F)=CCC=O;LSFQRQOUZHOHEV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238306;MM238306;CC(F)=CC(F)=CCC=O;KDJVFIUICZXRBF-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238307;MM238307;C=CCC=C(F)C=C(F)F;WMAUZMHJRCXVRF-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238308;MM238308;O=CCC=C(F)C=C(F)F;YOWBBMOBSMTEGD-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238309;MM238309;CC(C)=CC(C)=CNC=N;QISTZHZTVVGMGI-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238310;MM238310;CC(C)=CC(C)=CNC=O;QLBGKJXQRYKTKD-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238311;MM238311;N=CNC=C(F)C=C(F)F;DGJNNKPHWSGMKL-UHFFFAOYSA-N;150.1;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238312;MM238312;CC(=N)NC(N)=NNC=N;QWLRVYLXEAZRFI-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238313;MM238313;CC(=N)NC(N)=NOC=O;XBMJKGVXVNZLRX-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238314;MM238314;N=C(N)NC(N)=NOC=O;POFCYIXJMDPVOX-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238315;MM238315;C#CCC=C(C)C=C(C)C;OHPDHLRDKSKAGU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238316;MM238316;C#CCN=C(N)NC(=N)N;HKEVIDMNIIAWKM-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238317;MM238317;CC=NN=C(C)C=C(C)C;PBVMURVKKSDVRY-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238318;MM238318;CC=NN=C(C)C=C(C)N;GBRPLTDTRFWADJ-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238319;MM238319;CC=NN=C(C)C=C(C)F;HNDQQMYGUZGVAF-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238320;MM238320;CN=CNC(=N)N=C(N)N;RCEMJTNNWOAEIJ-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238321;MM238321;N=C(N=C(N)N)NC=NN;YOQMYWYJXPMCSL-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238322;MM238322;N=C(N)NC(N)=NC=NO;UVGMSQLEWYIQRD-UHFFFAOYSA-N;144.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238323;MM238323;CC#CC=C(C)C=C(C)C;AWLBNADHHZQKPU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238324;MM238324;CC(=CC(C)N)CCCF;ZFLSSWAUHWWIDE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238325;MM238325;CN(O)C(=N)C(F)=C(N)N;RWTDFNALLNHXCJ-UHFFFAOYSA-N;148.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238326;MM238326;CC(=CC(C)F)CCCN;MKJKELXHWGMZIV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238327;MM238327;CN(O)C(=N)C(F)=C(F)F;ZJJSEVPJIMFWOJ-UHFFFAOYSA-N;154.09;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238328;MM238328;CC(=CC(C)F)CCCF;ZXDKHBNVLYOSMK-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238329;MM238329;CC(=CC(F)F)CCCN;HPSMUNIRNOTWMT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238330;MM238330;CC(C)=NN=C(C)N(C)O;MPXRONXTSVPYHC-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238331;MM238331;CC(=CC(F)F)CCCF;PYIWRJUPGFWMQR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238332;MM238332;CC(C)C=C(F)CCCN;IBTYJGXSTLLNNE-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238333;MM238333;CC(C)C=C(F)CCCO;JBXBHPSOQPBVOQ-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238334;MM238334;CC(N)C=C(F)CCCF;WRHUNJWBJKCNPU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238335;MM238335;CC(O)C=C(F)CCCF;SSHXZWRTILVAQR-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238336;MM238336;CC(F)C=C(F)CCCN;XANIUFJFAVTFJV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238337;MM238337;CC(F)C=C(F)CCCO;FBHYKCSPURBGLA-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238338;MM238338;CC(F)C=C(F)CCCF;ZSBOWMZLTSEQBZ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238339;MM238339;NCCCC(F)=CC(F)F;LXDAAKBUPUQKHR-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238340;MM238340;CNCCC(C)=CC(C)C;VDUKLWBKVDMMCJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238341;MM238341;CNCCC(C)=CC(C)F;ZAHUOJJDNWISFI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238342;MM238342;CNCCC(C)=CC(F)F;KHPYMDLFZRTSBB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238343;MM238343;CNCCC(F)=CC(C)C;HJXFSPCSIASVLI-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238344;MM238344;CNCCC(F)=CC(C)F;PNNUKAIZLLJPSE-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238345;MM238345;CCNCC(C)=CC(C)C;QGIXYGRTWGJALT-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238346;MM238346;CCNCC(C)=CC(C)F;IRYJXNULTZXPNS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238347;MM238347;CCNCC(C)=CC(F)F;FWCONYIUOUKKSS-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238348;MM238348;CC(=CC(C)O)OCCO;VSKUFSGADMFHHB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238349;MM238349;COCOC(C)=CC(C)O;YVVWPCUOJLEPRL-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238350;MM238350;CC(CCCF)=NN(C)C;XNDGLDVOLBCKAZ-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238351;MM238351;COCCC(C)=NN(C)C;BTHCSAZLCUCMSN-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238352;MM238352;CCOCC(C)=NN(C)C;WNOSZXHZFUHCMZ-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238353;MM238353;CC(=CC(C)C)CCC=O;OIHGFHMXRBOTRJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238354;MM238354;COC(C)CN(O)C=NN;ZDZGFSUZLJGMPR-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238355;MM238355;CC(=CC(C)F)CCC=O;QWNVQEYBGXYCIN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238356;MM238356;CC(=CC(F)F)CCC=O;FEJGFECUGVJQPF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238357;MM238357;CC(C)C=C(F)CCC=O;YTEQXXLZVYDXJM-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238358;MM238358;C=CCCC(F)=CC(C)N;BPOFIJLUHPLGCD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238359;MM238359;CC(F)C=C(F)CCC=O;QIPAIDAKIXEUAV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238360;MM238360;CC(=CC(C)C)CNC=N;CRPIXCSSCXRVQK-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238361;MM238361;C=NNC1CC(O)(CC)C1;DRIIIKHTNCDHBU-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238362;MM238362;CC(=CC(C)N)CNC=N;GPDYJTFQJXGHEE-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238363;MM238363;CC(=CC(C)N)CNC=O;NIDTZUNLPNBQIA-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238364;MM238364;CC(=CC(C)O)CNC=N;CGGOMYWFFLSCRF-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238365;MM238365;CC(=CC(C)O)CNC=O;RMVVFRUTCHFDGP-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238366;MM238366;CC(=CC(C)F)CNC=N;CSKZPAPPFGEBAI-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238367;MM238367;CN(O)C(CC(F)F)=NN;JUSAVXHPRDHNAZ-UHFFFAOYSA-N;153.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238368;MM238368;CC(=CC(F)F)CNC=N;VOKDNIXPWSVKHX-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238369;MM238369;CC(C)C=C(F)CNC=N;BBHNLUKCKXMYEH-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238370;MM238370;CC(O)C=C(F)CNC=N;UIWYFMGSZDJHHK-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238371;MM238371;CC(F)C=C(F)CNC=N;XKUHNJNGISWUHO-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238372;MM238372;CC(F)C=C(F)CNC=O;PYVUTOHZHBKQGW-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238373;MM238373;C=NNCC(C)=CC(C)C;KKVYHMWONHVJIM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238374;MM238374;C=NNCC(C)=CC(C)N;HXROSOCCJZMQML-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238375;MM238375;CC(=CC(C)O)COC=O;GJAWSKPTFWCAPZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238376;MM238376;CC(=CC(F)F)COC=O;PCEWHANFKXTYQS-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238377;MM238377;C=CCCC(C)=NN(C)C;GDDZETRAWBMKKP-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238378;MM238378;CC(CCC#N)=NN(C)C;HXIKXZPSBYYYFE-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238379;MM238379;C=COCC(C)=NN(C)C;KSYVSHNQIMRPFU-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238380;MM238380;CC(COC=O)=NN(C)C;DCRVUKLTSVFRLB-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238381;MM238381;C=C(F)CC(=NN)N(C)O;LKZGZVDCVQVPLQ-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238382;MM238382;CC(=NN(C)C)OCC#N;AKGFPIRPMZGCEV-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238383;MM238383;CC(=NN(C)C)ONC=O;DPEUYNOQHOTJDO-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238384;MM238384;CCCCC(C)=CC(C)=O;WLXMJHISVXETJY-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238385;MM238385;CC(=O)C=C(C)CCCF;GBFLZHRGSNJFEK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238386;MM238386;CC(=CC(=N)N)CCCF;MQPDFSMRGOSMFD-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238387;MM238387;CC(=CC(N)=O)CCCN;DCAFFBGGXFJPLV-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238388;MM238388;CC(C)N=C(CF)N(C)O;XYRLVDMITHNCRC-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238389;MM238389;CC(=CC(=O)O)CCCF;NMWAWBAYLOQAGO-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238390;MM238390;C=C(F)C=C(C)CCCF;SFCVRULSMRCLBX-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238391;MM238391;CCCCC(N)=CC(C)=O;YOLTVKNTIXJYEO-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238392;MM238392;CCCCC(N)=CC(=N)N;FOIRYJHTVSDYOY-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238393;MM238393;N=C(N)C=C(N)CCCF;BGXKQYLLJODIPE-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238394;MM238394;CN(C)C(=CC(N)=O)CO;SKOFDGRTKOHATO-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238395;MM238395;C=C(C)C=C(F)CCCN;HDDRAABYIWBCBJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238396;MM238396;C=C(C)C=C(F)CCCO;GGPNRPRLBWAKOV-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238397;MM238397;C=C(C)C=C(F)CCCF;OXJHFNLKGBOXEZ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238398;MM238398;N=C(N)C=C(F)CCCF;WTAZISNWHMNKJG-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238399;MM238399;NC(=O)C=C(F)CCCO;ZGNHYNXMYOZYIS-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238400;MM238400;NC(=O)C=C(F)CCCF;LLDKNCLFZJKRKH-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238401;MM238401;O=C(O)C=C(F)CCCF;OUHGUUXHMSXWRY-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238402;MM238402;C=C(F)C=C(F)CCCN;QEHBNSITULISFM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238403;MM238403;C=C(C)C=C(C)CCNC;MKJHKXNTTRUAMT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238404;MM238404;CNCCC(C)=CC(=N)N;DWSBDGYIIAGZEH-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238405;MM238405;CNCCC(C)=CC(N)=O;ORFFRBYHFKSJQL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238406;MM238406;C=C(F)C=C(C)CCNC;GMSNOLVIKOTDGS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238407;MM238407;CNCCC(N)=CC(C)=O;JEGYMSJDTOZDKA-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238408;MM238408;CNCCC(F)=CC(N)=O;UOTFHNTWMUURJL-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238409;MM238409;C=C(F)C=C(F)CCNC;VAZBCGAFONDTLX-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238410;MM238410;COCCC(C)=CC(C)=O;KVDNBOPUPKEWFJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238411;MM238411;COCCC(F)=CC(C)=O;RWYXVSWFCAHDRU-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238412;MM238412;C=C(C)C=C(C)CNCC;LHGRBNGWXQPTMU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238413;MM238413;CCNCC(C)=CC(C)=O;IWCUBWAGNTZBBC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238414;MM238414;CCNCC(C)=CC(N)=O;GXQXVVOAMHISTD-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238415;MM238415;C=C(F)C=C(C)CNCC;WWBMOXLHYVKMFW-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238416;MM238416;CCNCC(N)=CC(C)=O;JSJMFLDZMTUQSF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238417;MM238417;CCOCC(C)=CC(C)=O;UQYVJUUUSKBGLN-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238418;MM238418;CC(O)C(C=C(F)F)=NO;DEPFTNPCXNIAIU-UHFFFAOYSA-N;151.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238419;MM238419;CC(=O)C=C(C)NCCO;CNRDGDCLFLAOFB-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238420;MM238420;CCCNC(C)=CC(=N)N;GNEQTVSBKZWIIO-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238421;MM238421;CC(=CC(=N)N)NCCO;PKHOIYPNYAUHOZ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238422;MM238422;CC(=CC(=N)N)NCCF;RAWCNFANXLRUEV-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238423;MM238423;C=NNCCOCC(C)O;JWRHPPZTMBLEKG-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238424;MM238424;CC(O)COCCC=NN;UCSNJOWPLMDLTQ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238425;MM238425;CC(=O)C=C(N)NCCO;BPWIGGFTRHESIU-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238426;MM238426;N=C(N)C=C(N)NCCO;JBGMINSYNLETSV-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238427;MM238427;CC(O)COCOC=NN;SIDYFMCZRMWZQC-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238428;MM238428;CCCOC(C)=CC(C)=O;KRAZMVBMTYNPGB-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238429;MM238429;CC(=CC(=N)N)OCCO;NOWHTVNPWFBXNY-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238430;MM238430;CNN=CCOCC(C)O;BEWDUXHOKGOBLP-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238431;MM238431;N=Cn1oc(=NO)[nH]c1=O;YNACFJIQWNERQV-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238432;MM238432;CCCOC(N)=CC(C)=O;NCMTWRNGUFFGFM-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238433;MM238433;N=C(N)C=C(N)OCCN;RJHLKHNFNYSMEM-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238434;MM238434;N=C(N)C=C(N)OCCO;PLAFALWJEGZQOZ-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238435;MM238435;NC(=O)C=C(N)OCCO;HTGHILNNWSLYJK-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238436;MM238436;C#CCOCC(CF)=NO;XYLSNBXPDVGMTJ-UHFFFAOYSA-N;145.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238437;MM238437;Nn1nnc(=O)nc1O;VTAXCYJPUGBEKW-UHFFFAOYSA-N;129.08;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238438;MM238438;CC(=O)C=C(C)CCC=O;NUTHYAHUBNQYEG-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238439;MM238439;C=CCCC(C)=CC(=N)N;DECYAEJCEGNAQE-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238440;MM238440;CC#CC(F)(C=NO)CO;LJIFILROADFAOE-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238441;MM238441;C=C(F)C=C(C)CCC=O;YCKMEVUBQZIQIB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238442;MM238442;N#CCCC(N)=CC(=N)N;AZVDFRIVVNSAQF-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238443;MM238443;C=C(C)C=C(F)CCC=O;VCJSTMQADDDIKE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238444;MM238444;C=CCCC(F)=CC(C)=O;VMCWRMJEDREFJV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238445;MM238445;CC(=O)C=C(F)CCC=O;NYCWMENQXCERPP-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238446;MM238446;C=CCCC(F)=CC(=N)N;QVZPWGFKMFKTCA-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238447;MM238447;NC(=O)C=C(F)CCC=O;GBNQYISYLZEZSW-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238448;MM238448;C=C(F)C=C(F)CCC=O;JZMLAWSNBZETIA-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238449;MM238449;C=C(C)C=C(C)CNC=N;WAEHDQSGMPBCSR-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238450;MM238450;CCNN=CN(O)CCF;YKYMPDCSNSCIFW-UHFFFAOYSA-N;149.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238451;MM238451;C=C(F)C=C(C)CNC=N;RQGDAWSXPMWGLW-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238452;MM238452;C=C(C)C=C(F)CNC=N;IAJBMWDYSSBZSF-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238453;MM238453;NC(=O)C=C(F)CNC=O;KCLOPYFMSFUQQQ-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238454;MM238454;C=NOC(=O)N(C)CC=O;GLLMSDZDZBVPOQ-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238455;MM238455;CCCC(O)C(C)C=NN;YUTRFGQDVDKUDH-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238456;MM238456;C=COCC(C)=CC(C)=O;PXYDBSYYMRJBGE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238457;MM238457;C=COCC(C)=CC(=N)N;QKPWLMZKPFYJQN-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238458;MM238458;C=C(F)C(F)C(=NN)NO;YASSRDIKNMBWNV-UHFFFAOYSA-N;151.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238459;MM238459;CC(=O)C=C(N)COC=O;PVEOEFSFNIWMQS-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238460;MM238460;C=COCC(F)=CC(=N)N;MEBUKSVOQRQFEL-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238461;MM238461;CNN=CCC(O)C(C)C;GHWKAWQQOOCKOC-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238462;MM238462;CON=CCC(O)C(C)C;YYZJTJRMDDDHME-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238463;MM238463;C=NOCC(F)=CC(=N)N;DXCISXGUTNSACL-UHFFFAOYSA-N;145.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238464;MM238464;CC(=NOCCO)C(N)=O;NODSWXIVNFDQGB-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238465;MM238465;C=CCNC(C)=CC(=N)N;OUCLASFUBNZBAF-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238466;MM238466;CC(=O)C=C(N)NCC=O;CDHQYSAUXRGQBR-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238467;MM238467;N#CCNCC(C#N)=NO;QPGMMYNVAQWSGG-UHFFFAOYSA-N;138.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238468;MM238468;CC(=O)C=C(C)OCC=O;LNIZZQMETCKFES-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238469;MM238469;CC(=CC(=N)N)OCC#N;APKVAWMHXGPXSE-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238470;MM238470;CCC=NN=C(C)N(C)O;FUPLDAHDJCXBIW-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238471;MM238471;C=C(F)C=C(C)OCC=O;ADHHBDBHKDVRRV-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238472;MM238472;C=CCOC(N)=CC(C)=O;MDYNAWGIZUATTJ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238473;MM238473;CC(=NN=CCF)N(C)O;CLXFCCZTUIBLSD-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238474;MM238474;N#Cc1[nH]oc(=N)c1F;JVGYHDATAPHUEH-UHFFFAOYSA-N;127.08;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238475;MM238475;CN=c1[nH]c(O)c(F)o1;DZDSIEBLXGCSNF-UHFFFAOYSA-N;132.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238476;MM238476;C#CCCC(C)=CC(C)=O;DYYGPMUOZZJHKT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238477;MM238477;C#CCCC(C)=CC(=O)O;BBUXNGLGUVHECL-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238478;MM238478;C#CCCC(F)=CC(=O)O;BGEQDKYWGWSJIN-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238479;MM238479;C#CCNC(C)=CC(C)=O;RREWSCJAQMZUPU-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238480;MM238480;C#CCOC(C)=CC(C)=O;VXLMWUPRDZLVGG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238481;MM238481;C#CCOC(N)=CC(=N)N;RVWGKTATEYITHL-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238482;MM238482;C#CC=NN=C(C)N(C)O;PYIPLPGKYPIJMF-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238483;MM238483;Nc1nc(=O)[nH]nnc1=O;KPABCZLDDYKLJX-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238484;MM238484;CC(=CC(C)N)CC=NO;FMDKSNZKIKTFSO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238485;MM238485;CC(=CC(C)C)N=CNN;CEVSYGSVWLXXQJ-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238486;MM238486;CC(=CC(C)O)N=CNN;SBQUUERRKMIJTI-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238487;MM238487;CC(=CC(C)F)N=CNN;LSQHTSJTQAGGJT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238488;MM238488;C=CCC(F)C(=N)N(C)O;FNNRBXKZSWGKPW-UHFFFAOYSA-N;146.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238489;MM238489;CC(CC=NO)=NN(C)C;OUOQNJJQSYDQRP-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238490;MM238490;CN(O)C(=N)C(F)CC#N;OADLGUHBMFFGKS-UHFFFAOYSA-N;145.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238491;MM238491;CC=NOC(C)=NN(C)C;DUQQKYUYUYXRGW-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238492;MM238492;CC=CCC(C)=CC(C)=O;FGQXAISATQKHTK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238493;MM238493;C=NOC(C)C(=N)N(C)O;IHQDTEIOADIHLN-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238494;MM238494;CC(=CC(=O)O)CC=CF;DFHXDONGTKYANS-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238495;MM238495;CC=CCC(F)=CC(C)=O;BGJRJDHGFUVLKK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238496;MM238496;N=C(N)C=C(N)CC=NN;ASTFOXLGQSYENK-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238497;MM238497;N=C(N)C=C(N)CC=NO;IUWOOWYLRJKBSW-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238498;MM238498;N=C(N)C=C(F)CC=NO;PEOQNVAWXJFMRR-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238499;MM238499;NC(=O)C=C(F)CC=NO;NRPNGSAAJFVHQN-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238500;MM238500;C=C(C)C=C(C)N=CNN;AQNDVBCHVHAFAQ-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238501;MM238501;CN=CNC(C)=CC(C)=O;ZWGZARBGPGBLHX-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238502;MM238502;C=C(F)C=C(C)N=CNN;HBRACAFBVDWRIM-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238503;MM238503;N=C(N)C=C(N)NC=NN;NPYPVUIOBQZITP-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238504;MM238504;N=C(N)C=C(N)N=CNO;RJLAAKGBUQJUOV-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238505;MM238505;C#CC=C(F)C(=N)N(C)O;HHBJUBUYGLUGFZ-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238506;MM238506;CC=NNC(N)=CC(=N)N;ZDYUNZDWWGWTBM-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238507;MM238507;Cc1c(C=O)[nH]oc1=O;XVKOSKHVWXQCOZ-UHFFFAOYSA-N;127.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238508;MM238508;N=C(N)C=C(N)OC=CF;JESVEFZRSZMZRM-UHFFFAOYSA-N;145.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238509;MM238509;C=CC=COCCC(=O)O;MHKWVBJATGMEOO-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238510;MM238510;CC(=CC(=N)N)OC=NN;YLTYLHPLHOQFIH-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238511;MM238511;CC(=CC(=N)N)OC=NO;JJDYOASQYZTNIQ-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238512;MM238512;CC=CC(O)CC1CN1C;BQULLGXOOBBREW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238513;MM238513;CCOCC=C(C)C(=O)O;JLCOECDESNMUGS-UHFFFAOYSA-N;144.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238514;MM238514;C=C(CC(O)CC)C(=O)O;GRRKCDYSVGLBKC-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238515;MM238515;C=C(CC(C)(C)O)C(=O)O;XNZTVJIMFPYNCS-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238516;MM238516;CC(=N)NC(C)=NC=CF;YVBWIKVUQKQTBU-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238517;MM238517;CC(=O)NC(C)=NC=CF;WVFHTWYNYNQHBQ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238518;MM238518;CC#CCC(F)=CC(C)C;MZSREOUKZMQRAA-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238519;MM238519;CC#CCC(C)=CC(C)=O;PTBPSKBCCDHYTC-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238520;MM238520;CC#CCC(C)=CC(=N)N;OZXFFFCQYDHZFW-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238521;MM238521;CC#CCC(C)=CC(=O)O;JOZDSUHUMXYHMO-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238522;MM238522;CC#CCC(F)=CC(=N)N;ITIPMIFVZSIYGO-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238523;MM238523;CC(C=CCO)=CC(C)N;JDWYZGCVHJFBEC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238524;MM238524;CC(C=CCN)=CC(C)O;YHGTZYRBEMAHDC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238525;MM238525;CC(C=CCN)=CC(C)F;HPSWCWYUCRRMPJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238526;MM238526;CC(C=CCO)=CC(C)F;PKRVGBHCEWOXNR-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238527;MM238527;CC(C)C=C(F)C=CCN;JIEGIOVAIXTVAI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238528;MM238528;CC(N)C=C(F)C=CCN;FYFXKARWCYCTBZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238529;MM238529;CNN=CC(C)=CC(C)C;DQZNDEAKIPZVNB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238530;MM238530;CNN=CC(C)=CC(C)F;CQYWBOJZCKZMPL-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238531;MM238531;CON=CC(F)=CN(C)C;JXWYGRURDPXUPJ-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238532;MM238532;CN=CC=C(C)NN(C)C;PWUNQYGYWZTUMO-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238533;MM238533;CC(C=CC=O)=CC(C)C;OYQKENATZHIIRY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238534;MM238534;CC(C=CC#N)=CC(C)C;GUWPOZGPYOTLBP-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238535;MM238535;C=CC=CC(C)=CC(C)N;IXTSIEAJRPMJMG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238536;MM238536;C=CC(O)CC1(CF)CN1;PBOZXYMSCQDSNC-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238537;MM238537;CC(C=CC=O)=CC(C)F;VBHQYSMNCRTPKW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238538;MM238538;CC(C=CC#N)=CC(C)F;LNJKYMBRRMRXHO-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238539;MM238539;CC(C=CC=O)=CC(F)F;KAWOHTRDNVYOBI-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238540;MM238540;CC(C)C=C(F)C=CC=O;AOARMIUVMFTPAG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238541;MM238541;C=NN=CC(C)=CC(C)F;IKUOIBPTNSIXJQ-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238542;MM238542;C=NN=CC(F)=CC(C)N;HJJRPOYVEFRBBF-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238543;MM238543;CC(C=CC#N)=NN(C)C;STNDXQKJYHNHPT-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238544;MM238544;C=NN=CC(C)=NN(C)C;FKTLABWWHHTUCL-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238545;MM238545;C#CC=CC(C)=CC(C)F;RLSGETWBOPCPTH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238546;MM238546;CCC=CC(C)=CC(C)=O;KCPRIBCNQSNYJI-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238547;MM238547;CCC=CC(C)=CC(=N)N;LEUNKRCBTSZXSW-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238548;MM238548;CC(C=CCN)=CC(=N)N;OYAIRSXMWANWAJ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238549;MM238549;CC(C=CCO)=CC(=N)N;ZFGJBEYSQPCIDP-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238550;MM238550;C=NN=CN(O)CCC=O;SXHKQDCIIDYUDI-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238551;MM238551;CC(C=CCN)=CC(N)=O;RYYOJHXEFDHVKQ-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238552;MM238552;C#CCCN(O)C=NN=C;CEBJEABSHCKXEX-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238553;MM238553;CCC=CC(C)=CC(=O)O;RLFZCOBBVYQMSQ-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238554;MM238554;CC(=CCCCO)C(=O)O;KUXKWCPBFHIJJJ-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238555;MM238555;C=C(F)C=C(C)C=CCN;XUTFZOIMGNTWHB-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238556;MM238556;CC(=O)C=C(N)C=CCO;SWLVMRKGUPSQHG-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238557;MM238557;C=C(C)C=C(F)C=CCN;HAIPPNFBBOISEQ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238558;MM238558;CCC=CC(F)=CC(C)=O;NFPOPWQVMXZIPP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238559;MM238559;NC(=O)C=C(F)C=CCO;LZCZTUNZISJIMS-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238560;MM238560;COC=CC(F)=CC(=N)N;BFWNGQPSIZFTRQ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238561;MM238561;COC=CC(F)=CC(N)=O;NGQDRMDNQOSTFG-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238562;MM238562;C=C(C)C=C(C)C=NNC;QPLLCTVLVHOWQL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238563;MM238563;CNN=CC(N)=CC(=N)N;BNABFSHMGQINHT-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238564;MM238564;C=NOCC(=O)N(C)C=N;NRIQXUNBWQLEMC-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238565;MM238565;CNC(=O)CON=CC=O;RJAURFULECMGDN-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238566;MM238566;CON=CC(C)=CC(=N)N;BGAAPHAPKOVCKN-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238567;MM238567;CON=CC(N)=CC(=N)N;XSUIBUPLXHBOKT-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238568;MM238568;CON=CC(F)=CC(=N)N;SCZNQGXAZKKHMQ-UHFFFAOYSA-N;145.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238569;MM238569;CC=C(CCCO)C(=O)O;ZHICWNKQFDGZNE-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238570;MM238570;C=CC=CC(C)=CC(C)=O;LWILLDCAXQGEBR-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238571;MM238571;CC(=O)C=C(C)C=CC=O;ZGRIMXOHJFYSJP-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238572;MM238572;CC(=O)C=C(C)C=CC#N;XIGJTZXHJHZNEG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238573;MM238573;C=CC=CC(C)=CC(=N)N;QNHRCRMEABDRCL-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238574;MM238574;CC(C=CC#N)=CC(=N)N;FLNSNWVGRYWEDT-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238575;MM238575;CC(=NOCCCO)NO;AFLFESZCYQUYDP-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238576;MM238576;CC(C=CC#N)=CC(=O)O;AKKQAOUIGKEVDI-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238577;MM238577;C=C(F)C=C(C)C=CC=O;JEFWCCGYXBXTHG-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238578;MM238578;N#CC=CC(N)=CC(=N)N;PUYMKKJJULHLDV-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238579;MM238579;C=C(C)C=C(F)C=CC#N;HQBLKVSJDLDDGV-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238580;MM238580;CC(=O)C=C(F)C=CC#N;PZGRMPGRHWAKCU-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238581;MM238581;C=CCON=CN(O)CC;BQXHVFKWIKLKQR-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238582;MM238582;C=NN=CC(C)=CC(=C)F;KQSPGKKNARCJQH-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238583;MM238583;N=Cn1nc(O)ncc1=O;JMBNRMAGBQBVJX-UHFFFAOYSA-N;140.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238584;MM238584;C=NN=CC(F)=CC(=C)C;MSNBDWPCVCDZKM-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238585;MM238585;C=NN=CC(F)=CC(C)=O;DCYCHHCKZLDLOO-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238586;MM238586;C#CC=CC(C)=CC(C)=O;BONQNYSMPWNEGA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238587;MM238587;C#CC=CC(N)=CC(=N)N;YQRIEZNIKLTIDG-UHFFFAOYSA-N;135.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238588;MM238588;CCC#CC(C)=CC(C)C;OUSIJSFPMWSGBS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238589;MM238589;CC(C#CCN)=CC(C)C;VELBTLKKUGWHAB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238590;MM238590;CC(C#CCO)=CC(C)C;ZGPPLQWGYSSLSU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238591;MM238591;CC(C#CCF)=CC(C)C;ORQDLWKYYXFDQY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238592;MM238592;CCC#CC(C)=CC(C)N;VWBTVOAQUWFWIF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238593;MM238593;CC(C#CCF)=CC(C)N;NIFCBPZQGFKEGW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238594;MM238594;CCN(O)C=NOCC#N;VUNBJVSRHFBFER-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238595;MM238595;CC(C#CCF)=CC(C)O;UWNZRSAGXVTTEG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238596;MM238596;CC(C#CCN)=CC(C)F;NNPDRQMHOIJHBI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238597;MM238597;CC(C#CCN)=CC(F)F;OZMQVGGXUGXKBK-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238598;MM238598;CC(C#CCO)=CC(F)F;HGJLHVPKCLCCIE-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238599;MM238599;CC(C)C=C(F)C#CCN;GJQPCUSCBMBSKJ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238600;MM238600;CC(C)C=C(F)C#CCO;UXKLRSTZPFFFJV-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238601;MM238601;CC(N)C=C(F)C#CCO;MOODICTZOFEJSU-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238602;MM238602;CC(F)C=C(F)C#CCN;WPSQUMGSEZWCFO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238603;MM238603;CCC#CC(C)=NN(C)C;RYCUGXWWEKEFLT-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238604;MM238604;CCC(F)C(=NOC)NO;OYLUGTGZKICEBY-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238605;MM238605;CC(C#CC#N)=CC(C)C;HQROWYPNGXDGOV-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238606;MM238606;CC(C#CC#N)=CC(C)O;HJDZPTRKHXGKCR-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238607;MM238607;C=CC#CC(C)=CC(C)F;ULSILXIMQJIXHW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238608;MM238608;CC(C#CC#N)=CC(C)F;IQDNYXFAQCHEBT-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238609;MM238609;CC(C#CC#N)=CC(F)F;PWSMVQMRZMJBCL-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238610;MM238610;CC(C)C=C(F)C#CC#N;NFIOVXPWVXZWLK-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238611;MM238611;CC(O)C=C(F)C#CC#N;YZZSESOZKNGJCH-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238612;MM238612;CC(C#CC#N)=NN(C)C;QMDTZDLYJSWUOE-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238613;MM238613;C#CC#CC(C)=CC(C)C;UKQYASZILVBJDE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238614;MM238614;C#CC#CC(C)=CC(C)N;FBPSRNOREYUKJB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238615;MM238615;C#CC#CC(C)=CC(C)O;BMOQMSVZZSGLJM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238616;MM238616;C#CC#CC(C)=CC(C)F;FCPAKHUPAFKOIU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238617;MM238617;C#CC#CC(F)=CC(C)C;DUIXAFSWAWCEJZ-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238618;MM238618;C#CC#CC(F)=CC(C)N;DJFXAWDMGUWBLR-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238619;MM238619;C#CC#CC(F)=CC(C)O;NWIZEBKTSAHRAZ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238620;MM238620;C=C(C)C=C(C)C#CCC;IYJZYCZBUXKSHO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238621;MM238621;C=C(C)C=C(C)C#CCN;LJPQIZQMTAJONR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238622;MM238622;C=C(C)C=C(C)C#CCO;RGRDEVIMJNTMGG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238623;MM238623;C=C(C)C=C(C)C#CCF;SFSUROATQBOSAD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238624;MM238624;CCC#CC(C)=CC(C)=O;OQYUPRNZWMFQPX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238625;MM238625;CC(=O)C=C(C)C#CCF;PTJNMVJBTMXVTL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238626;MM238626;CCC#CC(C)=CC(=N)N;UVJYOGHFZDJTFF-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238627;MM238627;CCN(C)C(=CC#N)CO;UMEQABSSJHYJLY-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238628;MM238628;C#CC(=NOC)C(F)C#N;FJPFYNFTONBULL-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238629;MM238629;CCC#CC(C)=CC(=O)O;RXVJYZZGTMJFAA-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238630;MM238630;CC(C#CCF)=CC(=O)O;GGCMBYMOHQTFBM-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238631;MM238631;C=C(F)C=C(C)C#CCC;JJEBICYJNYQLRD-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238632;MM238632;C=C(F)C=C(C)C#CCN;ZSEDSJZWFRCQPV-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238633;MM238633;C=C(F)C=C(C)C#CCO;CTBGJGPKVHPJDZ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238634;MM238634;N=C(N)C=C(N)C#CCN;DIVLWKMOXYWIKC-UHFFFAOYSA-N;138.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238635;MM238635;N=C(N)C=C(N)C#CCO;SBXUJBJYGQHIFB-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238636;MM238636;NCC#CC(N)=CC(N)=O;RVISPDSRNCDHKZ-UHFFFAOYSA-N;139.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238637;MM238637;NC(=O)C=C(N)C#CCO;KAJZGTQJDTZZJO-UHFFFAOYSA-N;140.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238638;MM238638;N#CCC(C#N)=C(N)CO;SXHBSWOBZQVLMS-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238639;MM238639;CC(=CCC(C)O)C(=O)O;ULLLJOGNYWAUJL-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238640;MM238640;C=C(C)C=C(F)C#CCO;AHCAXRUYNPMDCM-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238641;MM238641;CC(=O)C=C(F)C#CCF;HZSCZAYPZGNRNW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238642;MM238642;C=CC#CC(C)=CC(=C)C;FTMKQLZCOWNGAG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238643;MM238643;C=C(C)C=C(C)C#CC#N;ZCMBBIFKDBNXCI-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238644;MM238644;C=CC#CC(C)=CC(C)=O;UEYTULDZVJOPNX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238645;MM238645;CC(=O)C=C(C)C#CC=O;PTPFTIRPOJCBMT-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238646;MM238646;CC(=O)C=C(C)C#CC#N;KBQUAYXONCNLGM-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238647;MM238647;CC(C#CC#N)=CC(=O)O;YJTVQWZZUZDANJ-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238648;MM238648;C=C(F)C=C(C)C#CC=O;UIVSMVXMAVXIHD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238649;MM238649;C=C(F)C=C(C)C#CC#N;RLVFLUBHDNENAF-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238650;MM238650;CC(=O)C=C(N)C#CC=O;FCVFARGXKPKPDI-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238651;MM238651;C=CC#CC(N)=CC(=N)N;WRRGRJUPVKRIJD-UHFFFAOYSA-N;135.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238652;MM238652;N=C(N)C=C(N)C#CC=O;HWICXKUHXIMOHH-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238653;MM238653;CON=C(CCCO)NO;JZAZLOXKBWFBFW-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238654;MM238654;NC(=O)C=C(N)C#CC=O;MFYFHFGJECHWAT-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238655;MM238655;CC(C(CO)=NO)=C(F)F;FLEAOTOLESNGAX-UHFFFAOYSA-N;151.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238656;MM238656;C=C(C)C=C(F)C#CC#N;KCOKUBCWPFPTHF-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238657;MM238657;CC(=O)C=C(F)C#CC#N;JBEAYTFCBYZGAZ-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238658;MM238658;C=CC#CC(F)=CC(=N)N;BJLNZDCEUFMSIO-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238659;MM238659;C=CC#CC(F)=CC(N)=O;VVASQAKTXTWPAI-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238660;MM238660;C#CC#CC(C)=CC(=C)C;FLWLZKZARRSMSB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238661;MM238661;C#CC#CC(C)=CC(C)=O;VFJAWRQVMHBLCJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238662;MM238662;C#CC#CC(C)=CC(=O)O;YYWOXBOFSLWXJW-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238663;MM238663;C#CC#CC(C)=CC(=C)F;KVXZSBCQGBIUHC-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238664;MM238664;C#CC#CC(N)=CC(=N)N;IUBHQHCULQDOIC-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238665;MM238665;C#CC#CC(N)=CC(N)=O;VVHFKVSOWCIQCU-UHFFFAOYSA-N;134.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238666;MM238666;CC(O)(C=NO)C(F)(F)F;LPFCDYWEZGCALJ-UHFFFAOYSA-N;157.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238667;MM238667;C#CC#CC(F)=CC(=C)C;VFNXNIQNHTWBNG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238668;MM238668;C#CC#CC(F)=CC(C)=O;XSJXCXTYJMIZPH-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238669;MM238669;CC(C)CC1(C)C(C)C1C;HZQSVCBZQSKEET-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238670;MM238670;CC(N)CC1(C)C(C)C1C;OJLJTMOFQLXKSX-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238671;MM238671;CON=C(COC=O)NO;RPUWHNYYVVYXKZ-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238672;MM238672;CC1C(C)C1(C)CC(F)F;QEKADAXKTVKDKW-UHFFFAOYSA-N;148.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238673;MM238673;CC(C)CC1(C)C(C)C1N;HSNLPNMJCWODBH-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238674;MM238674;CC(N)CC1(C)C(C)C1N;BZNMQVQKCXHMPD-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238675;MM238675;CC(O)CC1(C)C(C)C1N;OCRFKNCAIWMKSO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238676;MM238676;CC(N)CC1(C)C(C)C1O;GZCIIDRVOIPUNO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238677;MM238677;CC(O)CC1(C)C(C)C1O;PKDVKIYDZMCQRJ-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238678;MM238678;CC(C)CC1(N)C(C)C1C;UBXXZOYJCJYPMM-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238679;MM238679;CC(N)CC1(N)C(C)C1C;UITVFXSJOHSVBQ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238680;MM238680;CC(O)CC1(N)C(C)C1C;ZAUAGNIOAYPYRS-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238681;MM238681;CC(F)CC1(N)C(C)C1C;PJSBPEMEIIONSW-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238682;MM238682;CC(C)CC1(N)C(C)C1N;XUKCVYHBDBODDZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238683;MM238683;CC(O)CC1(N)C(C)C1N;HCKZRTUYGGPFBY-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238684;MM238684;CC(C)CC1(N)C(C)C1O;HBGFZRFXOYKXEX-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238685;MM238685;N#CC=C(CO)NCC=O;NHBQOGUGMVHGOW-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238686;MM238686;CC(N)CC1(O)C(C)C1C;RQQTUGLRBXAFMP-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238687;MM238687;CC(F)CC1(O)C(C)C1C;WENDDVMRPRPTQK-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238688;MM238688;CC(C)CC1(O)C(C)C1N;OIAYIHIBAQCTAW-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238689;MM238689;CC(C)CC1(O)C(C)C1O;NNYUNPBJSAYIMP-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238690;MM238690;CC(C)NC1(C)C(C)C1C;GTFNBFOAJAYXTK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238691;MM238691;CC(C)NC1(C)C(C)C1O;AAUKWHKJKVJVMW-UHFFFAOYSA-N;143.23;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238692;MM238692;CC(C)NC1(C)C(N)C1N;WIHDNAMTRFBPCU-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238693;MM238693;CC(C)NC1(C)C(N)C1O;NKFQMVWMISSWRI-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238694;MM238694;CC(C)OC1(C)C(C)C1C;QMHIXOISCOIVCK-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238695;MM238695;CC(N)CC1(C)C(C)N1C;XPCKKOLUSITZKT-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238696;MM238696;C=C(C)CC1(C)C(C)C1C;ANHXHVMZZPMICG-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238697;MM238697;CC(=O)CC1(C)C(C)C1C;WMRVFWYCDJCTFG-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238698;MM238698;C#CCNC(=CC#N)CO;JKRYKDRTDMWWTO-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238699;MM238699;CC1C(C)C1(C)CC(=O)O;YZTAFFGLCUVIDF-UHFFFAOYSA-N;142.2;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238700;MM238700;C=C(F)CC1(C)C(C)C1C;PKLXVMULMRMRSV-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238701;MM238701;C=C(C)CC1(C)C(C)C1N;IJOCLMLEKCXMAG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238702;MM238702;CC(C)(F)C(CO)=NO;MMXYIWPXCUGEQG-UHFFFAOYSA-N;135.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238703;MM238703;CC1(CC(=N)N)C(N)C1N;XJNRTZZUTIFDNF-UHFFFAOYSA-N;142.21;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238704;MM238704;C=C(C)CC1(N)C(C)C1C;QCDDAKAOAXGHNH-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238705;MM238705;CC1C(C)C1(N)CC(=N)N;OUNWQFPHZTZDCC-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238706;MM238706;CC1C(C)C1(N)CC(N)=O;ISVXJGCCFSPBHN-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238707;MM238707;CC1C(N)C1(N)CC(=N)N;RQDAMKKWGPKGLY-UHFFFAOYSA-N;142.21;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238708;MM238708;C=C(C)CC1(N)C(N)C1N;LRXITACJQQQHNH-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238709;MM238709;CN(O)C(CC=NN)=NN;FZSRAZUXAVRRGQ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238710;MM238710;CC(=O)CC1(O)C(C)C1C;MYIKOVPRCQTBLO-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238711;MM238711;CC1C(C)C1(O)CC(N)=O;KGDCZKDGDZGDMD-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238712;MM238712;CNN=CC(=NN)N(C)O;MTHOBPFULUDOFF-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238713;MM238713;CC1C(C)C1(C)NC(=N)N;YVPZQKOEPYLKTP-UHFFFAOYSA-N;141.22;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238714;MM238714;CC1C(C)C1(C)NC(N)=O;BKXLSXSXYHYZLR-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238715;MM238715;CC(=O)NC1(C)C(C)C1N;VTOIGWTYDKPIDR-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238716;MM238716;C=C(C)OC1(C)C(C)C1C;WAPVBLRGFBVLTR-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238717;MM238717;CC1C(C)C1(C)OC(=N)N;XLRQLSAGAIDVGC-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238718;MM238718;CC1C(C)C1(C)OC(N)=O;VRSHWWDPEFLBQO-UHFFFAOYSA-N;143.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238719;MM238719;CCC(N)C1(C)NC1(C)C;QGHZCTCBKONTCG-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238720;MM238720;CCCCC1(C)CC1(C)C;JVBAOVFXCWHKKQ-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238721;MM238721;CC1(C)CC1(C)CCCF;QPMXMCHEPDLVDE-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238722;MM238722;CC1(N)CC1(C)CCCF;LWSDMVUVYCWYTC-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238723;MM238723;C=CCN=C(CF)N(C)O;OQNGYCJACOUUMK-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238724;MM238724;CC1(O)CC1(C)CCCN;YDLKVKWYOMSVDP-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238725;MM238725;Nn1cnc(=O)c(CO)c1;HVCUTHZMWSDTJY-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238726;MM238726;CCCCC1(C)CC1(C)F;IAQOZKFRKFOTHT-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238727;MM238727;COCCC1(C)CC1(C)C;HTATXEXAQYHZQT-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238728;MM238728;CCNCC1(C)CC1(C)C;RCPAAYGONVOVAA-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238729;MM238729;CCOCC1(C)CC1(C)C;ZCOJNEISKJRJAL-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238730;MM238730;CC1(C)CC1(C)NCCN;PFSVQAOGOMKMCC-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238731;MM238731;CC1(C)CC1(C)NCCO;YQQNCJWYEQEZGS-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238732;MM238732;CCCNC1(C)CC1(C)N;UUXWWCFSNJPUCG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238733;MM238733;CC1(O)CC1(C)NCCN;QXPCIUMYFAGKBI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238734;MM238734;CC1(F)CC1(C)NCCN;SXJIODYDCYLLJF-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238735;MM238735;CCNCC1(C)NC1(C)C;XSMKBAZFWBQTLT-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238736;MM238736;COCCC1(C)OC1(C)C;RFOVQXIIVZJJCG-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238737;MM238737;CCOCC1(C)OC1(C)C;IYRLDJUSQPNYTJ-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238738;MM238738;CC(O)C1=CN(C=O)NC1;BSGAJCHYSPHAJW-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238739;MM238739;CC(C)(C)n1ncc(=O)o1;IEGAIIVOVSPLIV-UHFFFAOYSA-N;142.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238740;MM238740;CC(C)(C)c1coc(=O)o1;CUFCKTGWHMLTSP-UHFFFAOYSA-N;142.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238741;MM238741;CC(C)(N)c1coc(=O)o1;LHWJWLBXOIKKBP-UHFFFAOYSA-N;143.14;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238742;MM238742;CC(C)(O)c1coc(=O)o1;JXVUTJICJMKXAC-UHFFFAOYSA-N;144.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238743;MM238743;CC(C)(F)c1coc(=O)o1;CVNJODHSMOGLSJ-UHFFFAOYSA-N;146.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238744;MM238744;CC(F)(F)c1coc(=O)o1;HDLZJHGLIVVZMW-UHFFFAOYSA-N;150.08;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238745;MM238745;O=c1occ(C(F)(F)F)o1;HHEHBDIJKBHWLO-UHFFFAOYSA-N;154.04;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238746;MM238746;CC(C)(C)c1noc(=O)o1;LERPDTRLKMUGLC-UHFFFAOYSA-N;143.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238747;MM238747;CC(C)(O)c1noc(=O)o1;YABJVEUHZJACGK-UHFFFAOYSA-N;145.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238748;MM238748;CC(C)(F)c1noc(=O)o1;KYAJNMDKWTYQCM-UHFFFAOYSA-N;147.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238749;MM238749;CC(F)(F)c1noc(=O)o1;UZEFEPRUBXFUTA-UHFFFAOYSA-N;151.07;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238750;MM238750;O=c1onc(C(F)(F)F)o1;ZRTAMXZAQMDBQX-UHFFFAOYSA-N;155.03;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238751;MM238751;CC(C)(C)n1oncc1=N;SASVJUJDDUGGIC-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238752;MM238752;CC(C)(C)n1oncc1=O;LAKNJDLCTDUFCG-UHFFFAOYSA-N;142.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238753;MM238753;CC(C)(C)n1ocnc1=O;FCBYNDWGODCUMB-UHFFFAOYSA-N;142.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238754;MM238754;C=Cn1ncc(O)c1F;QHPJXRJWYNUDDL-UHFFFAOYSA-N;128.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238755;MM238755;CC1C(C)C1CC(C)(C)C;GUNNQMYLVGEWRY-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238756;MM238756;CC1C(C)C1CC(C)(C)N;FODXKUVCDGBJPQ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_Nd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238757;MM238757;Cc1onnc(=N)c1CO;KQTREAAURHHRNV-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238758;MM238758;CC1C(C)C1CC(C)(C)F;LPBWRBZAIIHHIW-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238759;MM238759;CC1C(C)C1CC(C)(F)F;SQXWATNWBCJBNO-UHFFFAOYSA-N;148.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238760;MM238760;CC1C(N)C1CC(F)(F)F;IJKUHKKSOWXARS-UHFFFAOYSA-N;153.15;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238761;MM238761;CCC1OCC(NO)=NO1;SREOOELFRKTTPA-UHFFFAOYSA-N;146.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238762;MM238762;CC1C(O)C1CC(C)(C)N;QRDJRVGXGCBEFY-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238763;MM238763;CC1C(O)C1CC(C)(C)O;IMJGKSMYNVNHOM-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238764;MM238764;CC1C(O)C1CC(C)(C)F;QHHHGJQRWWCGKC-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238765;MM238765;CC1C(O)C1CC(C)(F)F;MYEBPHNMDSFJJA-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238766;MM238766;CC1C(O)C1CC(F)(F)F;YSMROZLTUAHOKT-UHFFFAOYSA-N;154.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238767;MM238767;CC1C(F)C1CC(C)(C)C;GAKDOAUZGMPMKT-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238768;MM238768;CC1C(F)C1CC(C)(C)N;KTTTUEXLDABCMC-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238769;MM238769;CC1C(F)C1CC(C)(C)O;YSJGFSBCLDKAOI-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238770;MM238770;CC(C)(C)CC1C(N)C1N;ZSNDBPNUMGCINB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238771;MM238771;CC(C)(N)CC1C(N)C1N;QMHMIOWZYIWIOD-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238772;MM238772;CC(F)(F)CC1C(N)C1N;PRWQSQKPXQVKCH-UHFFFAOYSA-N;150.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238773;MM238773;CC(C)(C)CC1C(N)C1O;DEEJQBGGGLQKFY-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238774;MM238774;CC(C)(N)CC1C(N)C1O;SSJSNYIGCTUQSQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238775;MM238775;CC(F)(F)CC1C(N)C1O;OQXLNGVQYMTRLV-UHFFFAOYSA-N;151.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238776;MM238776;CC(C)(C)CC1C(N)C1F;FIGOXNGKJYBEBO-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238777;MM238777;CC(C)(N)CC1C(N)C1F;GMJIRYSSXXBXIR-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238778;MM238778;CC(C)(O)CC1C(O)C1O;BQSHUTRVKKVBBZ-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238779;MM238779;CC1C(C)C1NC(C)(C)C;BDOPZYCWXZJNIK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238780;MM238780;CC1C(O)C1NC(C)(C)C;JOISSPSHYVPOLF-UHFFFAOYSA-N;143.23;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238781;MM238781;CC1C(F)C1NC(C)(C)C;SIUQWQNFIGMBPP-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238782;MM238782;CC(C)(C)NC1C(N)C1N;XWPSUINSYNYVAP-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238783;MM238783;CC(C)(C)NC1C(N)C1O;GDZBCQYYUCMICD-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238784;MM238784;CC1C(C)C1OC(C)(C)C;CSGSREJLXXSLGR-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238785;MM238785;CC1C(O)C1OC(C)(C)C;DCTWRGWQYOYYJZ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238786;MM238786;CC1C(F)C1OC(C)(C)C;VDICLGUJUJOLFZ-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238787;MM238787;CC(C)(C)OC1C(N)C1N;ZLNSVOUAHKSVAD-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238788;MM238788;CC1C(CC(C)(C)N)N1C;TYXUXJQUMBGOCN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238789;MM238789;CC1C(CC(C)(F)F)N1C;QFNVLTHOUQFPDI-UHFFFAOYSA-N;149.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238790;MM238790;CC1C(CC(F)(F)F)N1C;JURKYLQZFRREQC-UHFFFAOYSA-N;153.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238791;MM238791;CC1C(C)N1CC(C)(C)N;IVDGTTRBWSUWAM-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238792;MM238792;CC1C(C)N1CC(C)(C)F;OSPHMWJLWXYADY-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238793;MM238793;CC1C(C)N1CC(C)(F)F;PVERIXHJSXTDGK-UHFFFAOYSA-N;149.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238794;MM238794;CN1CCC2(C)CC1(C)C2;PIJPTLOBAOMQPX-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238795;MM238795;C=C1CCC2(C)CC1(C)C2;SFUXPJFLHLTILL-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238796;MM238796;C=C1CCC2(F)CC1(C)C2;MEHGFVXOAHCDRS-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238797;MM238797;C=C1CCC2(O)CC1(N)C2;YKRHXGADGBBQLL-UHFFFAOYSA-N;139.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238798;MM238798;C=C1CCC2(F)CC1(N)C2;IIRDZRSBZUZYBI-UHFFFAOYSA-N;141.19;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238799;MM238799;C=C1CNC2(C)CC1(C)C2;JUUVXUQSCLZZIV-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238800;MM238800;C=C1CNC2(C)CC1(N)C2;MZJXTLLOVXEOLL-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238801;MM238801;C=C1COC2(C)CC1(C)C2;WEBWUKVPZJBJPY-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238802;MM238802;C=C1COC2(C)CC1(N)C2;UABCZOIQMVKXDU-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238803;MM238803;C=C1CCC2(C)CC1(C)O2;JPUDWOYXPOBKQR-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238804;MM238804;CC1C2CC2(C)NC1(C)C;ABOFBXROXCPPST-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238805;MM238805;CN1CCN(O)C=N1;VDDHOAQMVWGLRU-UHFFFAOYSA-N;115.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238806;MM238806;C=C1C(C)C2(N)CC1(N)C2;RLSRMXHZNBXSDF-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238807;MM238807;C=C1C(=C)C2(C)CC1(C)C2;DMGPTLFTLPFILN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238808;MM238808;C=C1C(=C)C2(N)CC1(C)C2;RQZOLASBTPHUFB-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238809;MM238809;C=CC1NC1C(C)O;UWEKSDLHCRBSOO-UHFFFAOYSA-N;113.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238810;MM238810;C=C1C(=C)C2(N)CC1(N)C2;IIFOELWJDNVKFG-UHFFFAOYSA-N;136.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238811;MM238811;C=C1C(=C)C2(O)CC1(N)C2;VXGGDELZPIONOY-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238812;MM238812;C=C1C(=C)C2(O)CC1(O)C2;AVKJTAKPQGZREP-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238813;MM238813;C=C1C(=C)C2(C)CC1(C)N2;NJJUKLXGYMGNHZ-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238814;MM238814;C=C1C(=C)C2(C)CC1(C)O2;GZRGTWQZMDSCOJ-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238815;MM238815;CC1=C(C)C2(C)CC1(C)C2;HPWAJYNQVFKPAX-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238816;MM238816;CC1=C(C)C2(N)CC1(C)C2;FZZZVJWWHOSFAS-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238817;MM238817;CC1=C(C)C2(N)CC1(N)C2;TZLFJGWFBSSWEO-UHFFFAOYSA-N;138.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238818;MM238818;CC1=C(C)C2(C)CC1(C)N2;IKDVWCKODKUYEX-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238819;MM238819;CC1=C(C)C2(C)CC1(C)O2;VEHPBYJESIGZKO-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238820;MM238820;OCCON=CNO;ULFKXKKCXJHQBL-UHFFFAOYSA-N;120.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238821;MM238821;CC1C2CC1(O)CC2(C)N;CJGLJTHQNJPJLB-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238822;MM238822;CC1C2CC1(O)CC2(C)O;SPFKVXIAEHMVOR-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238823;MM238823;CC1C2CC1(O)CC2(C)F;PCHLHKHOOJLZMM-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238824;MM238824;CC1(C)CC1C1CC1(C)C;VXWJDJANECCSDK-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238825;MM238825;CC1(C)CC1C1CC1(C)N;VRGZOBGWZXVLMO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238826;MM238826;O=CCON=CCO;RADAPENWUCRBKI-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238827;MM238827;CC1(N)CC1C1CC1(C)N;REYPPMPLLKMDPR-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238828;MM238828;CC1(N)CC1C1CC1(C)O;ZMLPJALMVWAVED-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238829;MM238829;CC1(N)CC1C1CC1(C)F;IBVMVMLVKDLAPX-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238830;MM238830;CC1(F)CC1C1CC1(C)F;QDOOCXHALQAXRF-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238831;MM238831;CC1(N)CC1C1NC1(C)C;SVOUCPSSZXAZQC-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238832;MM238832;CC1(C)CC1C1OC1(C)C;JCWRTTGXYUKEFR-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238833;MM238833;CC1(N)CC1C1OC1(C)C;NKGDAQVLFVCEGT-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238834;MM238834;CC1(O)CC1C1OC1(C)C;YYADCJOYXOHWEN-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238835;MM238835;CC1(F)CC1C1OC1(C)C;ZPYLVJMOYDDJAP-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238836;MM238836;CC1(C)OC1C1OC1(C)C;BBEMHJHTLCJCPA-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238837;MM238837;CC1(N)CC1N1CC1(C)C;IESCHCZABFTHNJ-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238838;MM238838;CC1(F)CC1N1CC1(C)C;MTSHMVOKRQMEHE-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238839;MM238839;CC1C2CC(C)(C)CC12C;BXCQAQQMMDRGSH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238840;MM238840;CC1C2CC(C)(F)CC12C;WTWHOQVROCZCLS-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238841;MM238841;CC1(C)CC2C(N)C2(C)C1;CVQOZYPSDFIJTR-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238842;MM238842;CC(O)C1NC1(C)CF;VKBQHWCCGBVQGE-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238843;MM238843;CC1C2CC(C)(C)CC12N;PJQHIQNBDRQEIO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238844;MM238844;CC1C2CC(C)(O)CC12N;FMZNUMRTIKQBKM-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238845;MM238845;CC1C2CC(C)(F)CC12N;ZXXWHCOBYLSINI-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238846;MM238846;CC1(C)CC2C(N)C2(N)C1;OIRUJRGTCNJLKD-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238847;MM238847;CC1(N)CC2C(N)C2(N)C1;VEDPZLINYBAVCM-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238848;MM238848;CC1(O)CC2C(N)C2(N)C1;FHTIMENNJSLYEU-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238849;MM238849;CC1(C)CC2C(O)C2(N)C1;HNKXNXDRSAPLMG-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238850;MM238850;CC1(N)CC2C(O)C2(N)C1;HOYXAZCVTBDUSV-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238851;MM238851;COCCN(O)C=NN;LKYBZEZOXFXHJH-UHFFFAOYSA-N;133.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238852;MM238852;CC1C2CC(C)(F)CC12O;NVGJPVPDJXXLEE-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238853;MM238853;CC1C2CC(F)(F)CC12O;DSFWYLKSWCPNIM-UHFFFAOYSA-N;148.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238854;MM238854;CC1(C)CC2C(N)C2(O)C1;CIGXQLNXZIOFRE-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238855;MM238855;CC1(N)CC2C(N)C2(O)C1;RPHYRFOLZOHIKE-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238856;MM238856;CC1(O)CC2C(N)C2(O)C1;XLWFJKYDBDSXCD-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238857;MM238857;CC1(C)CC2C(O)C2(O)C1;JTYIMWSHJVPFQT-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238858;MM238858;CC1(N)CC2C(O)C2(O)C1;DPMMFIPJWOQSGP-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238859;MM238859;CC1C2CC(C)(C)CC12F;KUHCCGWVPGJAID-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238860;MM238860;CC1C2CC(C)(N)CC12F;FSTGHZBEHLILOX-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238861;MM238861;CC1C2CC(C)(O)CC12F;SDMBVGLPDBCNCZ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238862;MM238862;CC1(C)CC2C(N)C2(F)C1;FEDVAXIZKXRVJH-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238863;MM238863;CC1(N)CC2C(N)C2(F)C1;ZGUJOLWALGLRIT-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238864;MM238864;CC1C2NC(C)(C)CC12O;DWMLYVXWJOAXKP-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238865;MM238865;CC1(C)CC2(O)C(O)C2N1;NJKFTYJBABNSRY-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238866;MM238866;CC1(N)CC2C(C1)C2(C)C;ARDPEJCZLUXPLF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238867;MM238867;CC1(F)CC2C(C1)C2(C)C;NCJKADIRJHZRGM-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238868;MM238868;CC1(C)C2CC(F)(F)CC21;LQONTKOQOCTVKD-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238869;MM238869;CC1(O)CC2C(C1)C2(C)N;NLQGSYXDWLXHCP-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238870;MM238870;CC1(N)C2CC(F)(F)CC21;KVOBOMUFGKRMKL-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238871;MM238871;CC1(C)OC2C(O1)C2(C)O;GOMSDOYNECGPDY-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238872;MM238872;CC1(C)OC2C(O1)C2(C)F;KVRDBMDXDSNRBJ-UHFFFAOYSA-N;146.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238873;MM238873;CC1(N)CC2N(C1)C2(C)C;QDXAMLIKRHIYRJ-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238874;MM238874;CCC(C)(C)C(CN)CN;FTYZQAYAIBYBTI-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238875;MM238875;CC(C)(CN)C(CO)CF;VTXNBEYYUBWQKA-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238876;MM238876;CC(C)(CN)C(CF)CF;XKSBJDUXGUHHQB-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238877;MM238877;CC(C)(CF)C(CN)CF;NNRJDPCRNYHPRF-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238878;MM238878;CC(C)(CF)C(CO)CO;JENCBZKNJWZMJU-UHFFFAOYSA-N;150.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238879;MM238879;CCC(C)(N)C(CN)CF;HGQLGVPLSRXVGH-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238880;MM238880;CCC(C)(N)C(CF)CF;PQBDNPWVEJCHRU-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238881;MM238881;CCC(CO)C(C)(N)CO;QUOYPOXYMUAVBV-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238882;MM238882;CC(N)(CO)C(CO)CO;DAWGHSOHKAKXHV-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238883;MM238883;CCC(CC)C(C)(O)CN;NGMQXYMFBXEAER-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238884;MM238884;CC(O)(CN)C(CO)CO;UEOMGYPAMRQURY-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238885;MM238885;CC(O)(CO)C(CN)CN;FESGXELKONHBKI-UHFFFAOYSA-N;148.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238886;MM238886;CC(O)(CO)C(CN)CO;DIOGRXODXSMLFW-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238887;MM238887;CC(O)(CF)C(CO)CO;AKGDJEVZLJIBQU-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238888;MM238888;NCC(CO)C(F)(F)CO;RMNQYWBIABYFOI-UHFFFAOYSA-N;155.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238889;MM238889;NCC(CO)C(F)(F)CF;SGEKZVVMOPSTJD-UHFFFAOYSA-N;157.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238890;MM238890;CCC(C)(C)C(CN)NC;QGVIWMWLQMFEGC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238891;MM238891;CCC(NC)C(C)(C)CN;XSPCVAMVMYCHBC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238892;MM238892;CNC(CF)C(C)(C)CF;UJKFMQVOKDUEAT-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238893;MM238893;CCC(C)(N)C(CO)NC;XVWOEYOQBWLDQQ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238894;MM238894;CCC(NC)C(C)(N)CO;OMJZRTQZQSYAQS-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238895;MM238895;CNC(CO)C(C)(N)CO;NEQFCEOPGGPJOJ-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238896;MM238896;CCC(C)(O)C(CO)NC;WDKBKNQDDHZRHY-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238897;MM238897;CNC(CN)C(C)(F)CF;IILHYPPOFOSERR-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238898;MM238898;C#CCCN(O)C=NN;CNWDPQWCEDLLTF-UHFFFAOYSA-N;127.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238899;MM238899;COC(CN)C(C)(C)CN;ORZPEIUAIJQWQS-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238900;MM238900;COC(CO)C(C)(C)CN;CXAGVOXSDPMQAV-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238901;MM238901;COC(CN)C(C)(C)CO;YIHGZHXXKLIDDG-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238902;MM238902;COC(CO)C(C)(C)CO;YCSDKMHZXZIOLZ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238903;MM238903;COC(CO)C(C)(N)CO;IRUYMJSYRWWRBI-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238904;MM238904;COC(CN)C(C)(O)CO;ZXNWXPFTLYVHPF-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238905;MM238905;CCC(F)(F)C(CO)OC;JCVUOSQDXMZBSY-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238906;MM238906;CCC(C)(C)C(OC)OC;CBUIUUPIGWMPJB-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238907;MM238907;COC(OC)C(C)(N)CO;KHOQMXWBMKPXIO-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238908;MM238908;CNC(C)(C)C(CF)CF;FJUYMPDSSXZNMR-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238909;MM238909;CCC(C)(C)C(C#N)CO;AHLVFGQXMLCSRE-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238910;MM238910;CC(C)(CO)C(C#N)CO;SCJUDOUIVUVAGK-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238911;MM238911;C=CC(CN)C(C)(C)CF;RCKYKRQPDNZERB-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238912;MM238912;CC(C)(CF)C(C=O)CF;MSQKKZKUQJCTJQ-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238913;MM238913;C=CC(CN)C(C)(N)CC;DUJKEVBZOZARAH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238914;MM238914;C=CC(CF)C(C)(N)CN;UQEQLMWDCVRVJE-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238915;MM238915;C=CC(CC)C(C)(N)CF;XCAAVAKBITWAHX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238916;MM238916;C=CC(CN)C(C)(N)CF;BHHIFEQQDMOQAD-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238917;MM238917;C=CC(CF)C(C)(N)CF;FWURLAGTRNMELM-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238918;MM238918;CCC(C=O)C(C)(O)CF;WYGPFJSPCUHGOU-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238919;MM238919;C=CC(CN)C(C)(F)CC;YYJSBUMQXQEMLI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238920;MM238920;C=CC(CF)C(C)(F)CN;OKTGRFZUNNLBNI-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238921;MM238921;C=CC(CN)C(C)(F)CF;INCUTAGGJBVUAZ-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238922;MM238922;C=CC(CN)C(F)(F)CC;VNIAPZXTHGFZFG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238923;MM238923;C=CC(CN)C(F)(F)CN;NMSXHIXYSPQEFR-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238924;MM238924;C=CC(CN)C(F)(F)CO;OXKFSPPRAOROKU-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238925;MM238925;CC(O)C(C)N(N)C=O;HEXRKRYOFQPYDZ-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238926;MM238926;C=CC(NC)C(C)(N)CF;NZYJUOSAQDDPSJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238927;MM238927;C=NN(C)C(C)C(C)O;FHOLQCYVZIQAAS-UHFFFAOYSA-N;130.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238928;MM238928;C=CC(NC)C(C)(F)CC;YLQUBXOYWQNQSI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238929;MM238929;C=CC(NC)C(C)(F)CN;CBYZEIXWLBIHOD-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238930;MM238930;C=CC(CN)C(C)(C)NC;DUVNYCTWIIVINQ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238931;MM238931;CNC(C)(C)C(C=O)CO;HENYSSXNESXOJD-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238932;MM238932;C=CC(CF)C(C)(C)NC;NVOIPFPFPOPKNC-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238933;MM238933;C=CC(NC)C(C)(C)NC;BFPABVSJBFSSLG-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238934;MM238934;CNC(C=O)C(C)(C)NC;KOKUNWBPHJEEEL-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238935;MM238935;C=NN(CC)C(C)(C)CN;SFQQXIBAZHTWJM-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238936;MM238936;C=NOCC(=N)N(C)O;JCBLGDNWMJBREW-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238937;MM238937;CNN(C=N)C(C)(C)CF;IDZDHZMWKJVRNO-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238938;MM238938;C#CC(CF)C(C)(C)CN;VRAXLFLPDAKWQE-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238939;MM238939;C#CC(CF)C(C)(N)CO;PLGSQLICCJKOQZ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238940;MM238940;C#CC(CO)C(C)(N)CF;PHDDYICDPKGMCA-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238941;MM238941;C#CC(CO)C(C)(O)CF;TZTNEONKWZDZOK-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238942;MM238942;C#CC(CN)C(F)(F)CN;CXYGBZJFRGIWDB-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238943;MM238943;C#CC(NC)C(C)(C)CO;PVAVMPKWMWRBCV-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238944;MM238944;C#CC(NC)C(C)(O)CO;BRBCSEBHUKPSCM-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238945;MM238945;C#CC(OC)C(C)(C)CN;DIXRLYIXAUNXNY-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238946;MM238946;C#CC(OC)C(C)(O)CC;BOEMXWPHJWDNRB-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238947;MM238947;C#CC(OC)C(C)(O)CO;HNHYNGYDBLLRSY-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238948;MM238948;C#CC(OC)C(C)(C)NC;OJRLRKFKAIYJAU-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238949;MM238949;C#CC(CO)C(C)(C)OC;ZIDUJJIQEAOWQW-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238950;MM238950;C#CC(OC)C(C)(C)OC;MUDVWJRWHDSZQH-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238951;MM238951;C=CC(C=O)C(C)(C)CF;ZGKMVDGFEHJCGJ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238952;MM238952;C=CC(C=C)C(C)(N)CO;NITXGQASSWQECA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238953;MM238953;C=CC(C=C)C(C)(N)CF;HLCIASAPCVSFIS-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238954;MM238954;CC(O)(CO)C(C=O)C=O;OCGURZDUTLMFLP-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238955;MM238955;CC(O)(CO)C(C#N)C=O;VQGXHFJQWUBRKW-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238956;MM238956;CC(O)(CF)C(C#N)C=O;TZQSMNXIDMVBOR-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238957;MM238957;C=CC(C=C)C(C)(F)CN;PJOJILVRURTLHH-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238958;MM238958;CC(F)(CF)C(C=O)C=O;LLCDBUDRWAXEHJ-UHFFFAOYSA-N;150.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238959;MM238959;C=CC(C=O)C(C)(C)NC;OMOHRXLETOFQLY-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238960;MM238960;C=CC(C#N)C(C)(C)OC;ZKUKKMSBSDOFHH-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238961;MM238961;COC(C)(C)C(C=O)C=O;XWOLXWVUVAJFMD-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238962;MM238962;COC(C)(C)C(C#N)C=O;HJCVQTQODVCAOV-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238963;MM238963;CCC(C)(C)N(C=N)C=N;OYPZYFMCRGTRLF-UHFFFAOYSA-N;141.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238964;MM238964;CCC(C)(C)N(C=N)C=O;RWSVVJLICYXGSJ-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238965;MM238965;CCC(C)(C)N(C=O)C=O;HPHKJLVAYUCBPD-UHFFFAOYSA-N;143.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238966;MM238966;C=CN(C=N)C(C)(C)CN;UKEXZESWGADGBL-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238967;MM238967;C=CN(C=O)C(C)(C)CN;DHIOJIAVOBRZNU-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238968;MM238968;O=C(CF)ON=CCO;BHENXDNQTMBCSI-UHFFFAOYSA-N;135.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238969;MM238969;COC(=O)ON=CCO;YKROCOUHYCZFFU-UHFFFAOYSA-N;133.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238970;MM238970;C#CC(C#N)C(C)(O)CC;VOIYJTFQVIFKPF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238971;MM238971;C#CC(C=O)C(C)(O)CO;TWUFVTCOFDIQAQ-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238972;MM238972;C#CC(C#N)C(C)(O)CO;ARJFWNIGVGMQKR-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238973;MM238973;C#CC(C=C)C(C)(C)NC;CAGYGQJTDFQOJH-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238974;MM238974;C#CC(C#N)C(C)(C)OC;OPAQIONOZQGZDJ-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238975;MM238975;C#CC(C#C)C(C)(C)OC;IRMLYAHRMDVYHH-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238976;MM238976;C=CC(C)(C)C(CN)CF;YXCUSEIASVSWCB-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238977;MM238977;CC(C)(C=O)C(CO)CO;PVQAEPSHNQBMQV-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238978;MM238978;CC(C)(C#N)C(CF)CF;ATESZZXVCWGRTA-UHFFFAOYSA-N;147.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238979;MM238979;C=CC(C)(N)C(CC)CN;WLBUIMTXXSAIMJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238980;MM238980;C=CC(C)(N)C(CC)CO;YZYHPYNIVQLQEK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238981;MM238981;C=CC(C)(O)C(CO)CF;IIXPYZQSTJOJLX-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238982;MM238982;CC(O)(C#N)C(CF)CF;DSYXITCRESPJNC-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238983;MM238983;C=CC(C)(F)C(CO)CO;UKNRMOJGCQSYTE-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238984;MM238984;C=CC(C)(C)C(CN)NC;APVLYYQVAGOUBL-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238985;MM238985;CNC(CO)C(C)(C)C=O;SOCOKZXCICIHHD-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238986;MM238986;CC=NN=CN(O)CC;JRLQNURPDNFCEH-UHFFFAOYSA-N;129.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238987;MM238987;CCC(O)C(C)C=NN;DFNMVOCDGACCBF-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238988;MM238988;C=CC(C)(F)C(CO)OC;YTCBHRVMKSKDDL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238989;MM238989;COC(CF)C(F)(F)C=O;CMINUTITPGQESN-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238990;MM238990;COC(CF)C(F)(F)C#N;GBDJZCOLLWAPRR-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238991;MM238991;C=CC(C)(O)C(OC)OC;LBRDQQPGFNRZGV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238992;MM238992;C=CC(C)(C)C(C#N)CO;XPENZKSYXVNWRF-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238993;MM238993;C=CC(C)(C)C(C=O)CF;DZUVYGWJNPUAJU-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238994;MM238994;C=CC(CF)C(C)(C)C=O;DFGVPIABAKBOHL-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238995;MM238995;C=CC(CF)C(C)(N)C=C;NAUGZSNLAJQZFU-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238996;MM238996;C=CC(CN)C(C)(O)C=C;UHDBLICQQLFPQT-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238997;MM238997;CC(O)(C#N)C(C=O)CO;GDKQQSFTXPTXJS-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238998;MM238998;CC(O)(C=O)C(C#N)CO;XVYDHPLXUGDIQB-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM238999;MM238999;C=CC(NC)C(C)(N)C=C;UYBGCADCXQHXKZ-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239000;MM239000;CNN=C(NO)C(C)F;IOCZZXZMCXHHGK-UHFFFAOYSA-N;135.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239001;MM239001;CNC(C#N)C(C)(O)C#N;DBGVBXANWDSNOL-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239002;MM239002;COC(C#N)C(C)(C)C#N;JUSJSKNGDXOTCN-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239003;MM239003;C=CC(C)(O)C(C=O)OC;TXSPHHJTSUZCPZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239004;MM239004;C=CC(C)(O)C(C#N)OC;YXVRZBNDAFWHNQ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239005;MM239005;C=CC(OC)C(C)(O)C=O;UYHICULSXXGMQX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239006;MM239006;C=CC(OC)C(C)(O)C#N;HEETUSMONZEKSI-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239007;MM239007;C#CC(NC)C(C)(C)C=C;YLYXBAVXIXPKDF-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239008;MM239008;C#CC(OC)C(C)(C)C#N;XPUDCLOINGETFY-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239009;MM239009;C#CC(OC)C(C)(N)C=C;MXJHQPLJSXLEEQ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239010;MM239010;C#CC(OC)C(C)(O)C=O;BOOZKOVYRZRKIP-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239011;MM239011;C#CC(OC)C(F)(F)C=O;GBEVHNGLRWJQDB-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239012;MM239012;C#CC(OC)C(F)(F)C#N;ZAWRICJMFPDEQG-UHFFFAOYSA-N;145.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239013;MM239013;C=CC(C=O)C(C)(C)C=O;KZLNOQPTSYNYEF-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239014;MM239014;C=CC(C)(O)C(C#N)C=O;WWLXXQFHTURGQK-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239015;MM239015;C=CC(C=C)C(C)(O)C=O;AWGVEFJBALAPFT-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239016;MM239016;C=CC(C=O)C(C)(O)C#N;FTESDDZWSHWOHO-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239017;MM239017;CC(O)(C#N)C(C=O)C=O;QOOMOYSJOLUMQM-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239018;MM239018;CC(O)(C=O)C(C#N)C=O;PNJUWDXBCPDESP-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239019;MM239019;C=CC(C=O)C(C)(F)C=C;NPJSYMVQZYAVQF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239020;MM239020;C=CC(F)(F)C(C#N)C#N;KXLOXJGHXVJEOG-UHFFFAOYSA-N;142.11;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239021;MM239021;N#CC(C=O)C(F)(F)C=O;RPZWGBLBUNKPPM-UHFFFAOYSA-N;147.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239022;MM239022;N#CC(C=O)C(F)(F)C#N;WABHMZIMQJOTMU-UHFFFAOYSA-N;144.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239023;MM239023;CC(C)(C#N)N(C=N)C=O;LARQKARNWPWMGG-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239024;MM239024;CC(C)(C#N)N(C=O)C=O;FGJWQKUIKSKRAW-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239025;MM239025;C#CC(C#N)C(C)(C)C=O;XZGDECNYJUTIPG-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239026;MM239026;C#CC(C#N)C(C)(C)C#N;CXAPVKNKHTUWHD-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239027;MM239027;C#CC(C=C)C(C)(O)C#N;WTUSJLHXWLYIGJ-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239028;MM239028;C#CC(C=O)C(C)(O)C=O;XJSIAQUNVACSIZ-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239029;MM239029;C#CC(C#C)C(C)(C)C=O;YMDODKJAHSHEHI-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239030;MM239030;C#CC(C)(C)C(CN)CN;ZKIYQVXZQOSQIY-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239031;MM239031;C#CC(C)(C)C(CN)CF;SLIUZHYEXSJCIP-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239032;MM239032;C#CC(C)(C)C(CF)CF;JXVWZCOSWXGPCL-UHFFFAOYSA-N;146.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239033;MM239033;C#CC(C)(O)C(CN)CO;JPJBELUJTRKXGX-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239034;MM239034;C#CC(C)(F)C(CN)CN;RISNCPUZKVCNCI-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239035;MM239035;C#CC(C)(C)C(CN)NC;UNOGUFVCZZUJJL-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239036;MM239036;C#CC(C)(C)C(CF)NC;BQAAOCLUFNRMQU-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239037;MM239037;C#CC(C)(O)C(CO)NC;XJDGRGMWJHVPPU-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239038;MM239038;C#CC(C)(F)C(CN)NC;GFAKEPKWDABLQS-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239039;MM239039;N=NC=C(NO)C(N)=O;BJMHAASIDIKPQK-UHFFFAOYSA-N;130.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239040;MM239040;C#CC(C)(C)C(CO)OC;UGIZKQGEDJWNGH-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239041;MM239041;C#CC(C)(N)C(CN)OC;XLYURCZEQJHNPN-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239042;MM239042;C#CC(C)(O)C(CO)OC;XETMGSXLNBDIPV-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239043;MM239043;C#CC(C)(F)C(CO)OC;OIPAESIGYURCNI-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239044;MM239044;C#CC(C)(C)C(OC)OC;PCRXCEKCKUARNA-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239045;MM239045;C#CC(C)(F)C(OC)OC;VFBWTRVHQMMDHS-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239046;MM239046;C#CC(C)(C)C(C=C)CN;UWYAXUNFSRBJNO-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239047;MM239047;C#CC(C)(C)C(C#N)CO;FWJYERHPZXBFAF-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239048;MM239048;C#CC(C)(C)C(C=C)CF;AEEPKDRVIHSCGR-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239049;MM239049;C#CC(C)(C)C(C=O)CF;PLWFQUHKGMXLCH-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239050;MM239050;C#CC(C)(N)C(C=C)CF;REXHMTCLZGFDHK-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239051;MM239051;C#CC(C)(O)C(C=O)CO;QTTIBKBLKNIFTA-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239052;MM239052;C#CC(C)(O)C(C=C)CF;RNBIKNMRJCZYSF-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239053;MM239053;C#CC(C)(F)C(C#N)CO;BRXOHAJIUAKXJR-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239054;MM239054;C#CC(C)(C)C(C=C)NC;NMZYLJKZIDKMBR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239055;MM239055;C=CC(=NOC)N(C)O;UATHTMGTMWFGFT-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239056;MM239056;C#CC(C)(F)C(C#N)NC;AXQRNTLGOMVXGK-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239057;MM239057;C#CC(C)(O)C(C=O)OC;UUWMZJGIBFOFCO-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239058;MM239058;C#CC(C)(F)C(C=O)OC;DITVUXHTXZVWFF-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239059;MM239059;C#CC(C)(F)C(C#N)OC;YQFWKKJHICDNIA-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239060;MM239060;C#CC(C)(C)N(CC)N=C;YPLWHNJKIBJNPR-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239061;MM239061;C#CC(CO)C(C)(O)C#C;JTWXOVXAUQOPIJ-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239062;MM239062;C#CC(NC)C(C)(C)C#C;XJQBLPZFCKQNIP-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239063;MM239063;C#CC(OC)C(F)(F)C#C;UFKPKKSJKHJXLO-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239064;MM239064;C#CC(C)(C)C(C=C)C=O;UYGIXMWGFTXGFW-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239065;MM239065;C#CC(C)(O)C(C#N)C=C;LFOBEDCUWDSFHB-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239066;MM239066;C#CC(C)(F)C(C#N)C#N;FKYWPVMEWSPPGT-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239067;MM239067;C#CC(F)(F)C(C#N)C#N;RVEUUMONUGVOCF-UHFFFAOYSA-N;140.09;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239068;MM239068;C#CC(C)(C)N(C=N)C=O;OQEJAOFEOJDBMK-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239069;MM239069;C#CC(C#N)C(C)(O)C#C;RSYGTUWCFBINTP-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239070;MM239070;CC=C(CN)C(C)(C)CN;QAOQRUGSMTWWLX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239071;MM239071;CC(C)(CN)C(=CF)CF;AQIGGLSKHBNCHQ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239072;MM239072;CC(C)(CF)C(=CF)CN;ZMURWRDGSQXEDJ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239073;MM239073;CCC(=CF)C(C)(N)CN;FANWISBIBITANR-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239074;MM239074;CC=C(CF)C(C)(N)CN;HWUWQWHRWNLRKN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239075;MM239075;CC(N)(CN)C(=CF)CF;WJTXVMUGDHLMJK-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239076;MM239076;CC=C(CC)C(C)(N)CO;AOSJSRLKWPBCQN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239077;MM239077;CC=C(CN)C(C)(N)CO;YCGDDZBQXMVFTR-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239078;MM239078;CC=C(CO)C(C)(N)CO;YNPLLTSDYGEKHR-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239079;MM239079;CC(N)(CF)C(=CF)CF;IRWRSQOSIYTCTJ-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239080;MM239080;CCC(=CF)C(C)(O)CN;WOQVRLRZEIBPNB-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239081;MM239081;CC=C(CO)C(C)(O)CN;DYPFAHUVBLVIGG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239082;MM239082;CC=C(CF)C(C)(O)CN;WMJOXHJQYBFTDD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239083;MM239083;CC(O)(CN)C(=CF)CF;NKKRJGQFSYVUAI-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239084;MM239084;CCC(C)(F)C(=CF)CN;FNYNQCCVHWESLU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239085;MM239085;CC(F)(CN)C(=CF)CF;SQPZTHYNDQPXFH-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239086;MM239086;CCC(C)(C)C(CO)=NO;DGNXJIIQXKMKLV-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239087;MM239087;C=CC(O)CC1CN1C;ATLZOXDNBRFVQQ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239088;MM239088;CCC(=NO)C(C)(N)CC;IBYJOUZFYMPRTC-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239089;MM239089;CC(=NN1CC1)N(C)O;IONKMZOMTBTADQ-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239090;MM239090;C#CC(F)(C=NO)C(C)O;YRCORGBFPJUDCU-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239091;MM239091;CNc1ccn(O)c1C;QHVZKYOFCRGCPZ-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239092;MM239092;Nc1nn(O)c(O)c1O;IFBGVCRAVBWTRJ-UHFFFAOYSA-N;131.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239093;MM239093;NN=C(CO)C(F)(F)CO;FFGIVCBYIOHBNR-UHFFFAOYSA-N;154.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239094;MM239094;CNN=CC(C)(C)C(=O)O;ONFLFCNHDXOEBQ-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239095;MM239095;CCC(C)(O)C(=NO)NN;LTYDJBPALIUEQE-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239096;MM239096;CN=C(NC)C(C)(O)CO;KZSKJGCOZUSBGB-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239097;MM239097;CC=CC1NC1C(C)O;YHJBVUPZIMHGHH-UHFFFAOYSA-N;127.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239098;MM239098;N#CC1=CC(=O)C(=O)N1;GROBKEWJGINWTM-UHFFFAOYSA-N;122.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239099;MM239099;CC=C(OC)C(C)(N)CC;DVAPQXATTPQJQB-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239100;MM239100;CCC(C)(N)C(=CF)OC;CPNTVXSORXECTM-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239101;MM239101;COC(=CF)C(C)(N)CN;RNYULTGXDGIGFD-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239102;MM239102;COC(=CF)C(C)(N)CO;IGUYOBANIQLUFN-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239103;MM239103;CC=C(OC)C(C)(O)CO;JWAGWVFUVYTVKB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239104;MM239104;CC=C(OC)C(F)(F)CO;SBEBNMTVHVIEEG-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239105;MM239105;C=CN(C=N)C(=O)CF;VGBLKTCJYSQSOU-UHFFFAOYSA-N;130.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239106;MM239106;CCC(C)(C)C(=NO)OC;FBJWTJHLYHLJPI-UHFFFAOYSA-N;145.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239107;MM239107;CCN1CCN(O)C=N1;LISBYAGGEHDZFO-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239108;MM239108;CNC(C)(C)C(=CF)CF;XHGWTXCDRYIZKE-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239109;MM239109;CCC(=NO)C(C)(C)NC;IWBTXPAAGQMXMK-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239110;MM239110;O=c1nc[nH]c(=O)c(O)n1;VJJVUTGBZVUBIV-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239111;MM239111;COC(=CF)C(C)(C)OC;KWRNMDRPSOSKPL-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239112;MM239112;N=CN1CCN(O)C=N1;HPVTUJINIGCENJ-UHFFFAOYSA-N;128.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239113;MM239113;CCC(C)(O)C(C=O)=CN;PEEVEILCMGFXGD-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239114;MM239114;CC(O)(CO)C(C=O)=CN;RSEFZVYFSFRESQ-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239115;MM239115;O=CN1CCN(O)C=N1;UTILQZAWNZVVHQ-UHFFFAOYSA-N;129.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239116;MM239116;C=CC(=CF)C(C)(F)CN;QCONOQAOCRDCKA-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239117;MM239117;Cn1nnc(=O)[nH]c1=O;RKGHARLKYKCNBD-UHFFFAOYSA-N;128.09;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-10.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239118;MM239118;CC(C)C(=O)CCC(=O)O;GQWLYLDUDAANSJ-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239119;MM239119;CCN=CN(O)CC(F)F;PWNHOEBPJFGVDH-UHFFFAOYSA-N;152.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239120;MM239120;Cn1nc(F)c(=O)nc1O;QXIWZBAAGOYDHL-UHFFFAOYSA-N;145.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239121;MM239121;C=CC(=NO)C(C)(C)NC;FCRFJBYFBVBIIB-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239122;MM239122;CC(=O)C(C)CCC(=O)O;IEHMHYAHHVRZIF-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239123;MM239123;C#CC(=CC)C(C)(N)CN;UJAOXWAVRGOZPX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239124;MM239124;C#CC(=CF)C(F)(F)CO;VGHBNQDEFVCTIJ-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239125;MM239125;CC(C)(C=O)C(=CF)CO;HRJGSCWPBJYKSJ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239126;MM239126;C=CC(C)(N)C(=CC)CN;VFPWCMIZKYUYLJ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239127;MM239127;CC(O)(C#N)C(=CF)CO;LLYQMYYOFLNSKO-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239128;MM239128;C=CC(C)(F)C(=CF)CN;YFUFBJISQMRCGJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239129;MM239129;N#CC(F)(F)C(=CF)CO;JJCDNMHMFAOAKN-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239130;MM239130;CCC(=O)CCCC(=O)O;PHADZMIQVBXNAW-UHFFFAOYSA-N;144.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239131;MM239131;CCN=CN(O)CC(N)=O;IZJJDQNDPSCKHK-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239132;MM239132;CC(C)(C=O)CCC(=O)O;LIGPUSYDSVJBCU-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239133;MM239133;CC(CC=O)CCC(=O)O;TXQYBTGIHPIJLY-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239134;MM239134;COCC(C)(C)C(=O)O;FLFLSQGRBROAPA-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239135;MM239135;C=CC(C)(N)C(=CF)OC;GCEGEIWLZQEEDV-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239136;MM239136;CC=C(OC)C(C)(O)C=O;CMVAIHCFIZHFQT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239137;MM239137;CC=C(OC)C(C)(O)C#N;ILDXUOGZBVJFPY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239138;MM239138;COC(=CF)C(C)(O)C=O;VCALNBQTRBEJCQ-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239139;MM239139;COC(=CF)C(F)(F)C#N;LKEKEMSBXQBHCQ-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239140;MM239140;C=C(F)CN(O)C=NOC;SNNCCYZOMDOKCP-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239141;MM239141;C=CC(C)(C)C(=NO)OC;LHZWMWWERRNDSQ-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239142;MM239142;C=CC(C)(C)C(C=O)=CF;JOJCQDCPRLMZMZ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239143;MM239143;CC(C)(C#N)C(C#N)=CN;RZTMTFCNCOAMLI-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239144;MM239144;CC(O)(C=O)C(C=O)=CN;IBIBVRDLMGHNDH-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239145;MM239145;CC(O)(C=O)C(C#N)=CN;GINSWAJKUMRHQR-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239146;MM239146;CC=C(CCOC)C(=O)O;KUWMCWGZAKICDN-UHFFFAOYSA-N;144.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239147;MM239147;N#Cc1ncn(C=O)c1O;VNTUIBGSOQAAHE-UHFFFAOYSA-N;137.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239148;MM239148;ON=c1on(O)c(O)c1F;GRDZHZZQQHBSBC-UHFFFAOYSA-N;150.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239149;MM239149;C=CC(O)(C=C)CC(=O)O;FIHMEJPQBUXRFG-UHFFFAOYSA-N;142.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239150;MM239150;CCC(O)C=C(C)C(=O)O;DSYBSXDQLFHQCQ-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239151;MM239151;C#CC(=CF)C(C)(O)C#N;QAROWBCOCQTBPW-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239152;MM239152;CC(O)CN=C(N)C(N)=O;HMDBKHSJFGFZHV-UHFFFAOYSA-N;145.16;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239153;MM239153;C=C(C(=O)O)C(C)C(C)O;CASRMKKZZYXBIZ-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239154;MM239154;C#CC(C)(C)C(=CF)CN;XUTJASRGTGMWMV-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239155;MM239155;C#CC(C)(O)C(=CF)CC;JKWICXXORAGKJX-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239156;MM239156;C#CC(C)(C)C(CF)=NN;OHZMKDYEPYZJON-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239157;MM239157;C#CC(C)(O)C(=CC)OC;RNVRZNCEXYIFKO-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239158;MM239158;C#CC(C)(O)C(=CF)OC;SKEFXJICMZUNGS-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239159;MM239159;COC(=O)CN(O)C=NN;JKTNYPUMXROAHJ-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239160;MM239160;C=NOC(=O)C=C(N)CO;OHMMTNCJXNKZSG-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239161;MM239161;CCC(=CC(C)O)C(=O)O;MMNVHFHGHCVPPY-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239162;MM239162;C#CC(C)(O)C(C#N)=CF;IDMBWEGHCDCACF-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239163;MM239163;C#CC(C)(F)C(C#N)=CN;KNBDIQVPXPWMLC-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239164;MM239164;CC=C(CC(C)O)C(=O)O;IYDSLQCPDOWMJG-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239165;MM239165;C#CC(C)C(C#N)=NO;WEBLEKXQOIMEGY-UHFFFAOYSA-N;122.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239166;MM239166;N#CC(C#CC=NO)=NO;MYVSMCNVLQSCLY-UHFFFAOYSA-N;137.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239167;MM239167;C#CC(=CF)C(C)(O)C#C;MPDFJJFFEIMDJB-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239168;MM239168;C#CC(=NN)C(C)(F)C#C;FLBXVIKEYQYTJG-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239169;MM239169;COc1n[nH]c(F)c1O;GPOCBPCOGGPWGS-UHFFFAOYSA-N;132.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239170;MM239170;CCCCCC(C)(C)CC;DBULLUBYDONGLT-UHFFFAOYSA-N;142.29;4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239171;MM239171;CCC(C)(C)CCCCN;QXXWAPVHTGKLAS-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239172;MM239172;CC(O)CCNN=CCO;ITKJFISALYMHAY-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239173;MM239173;CCCCCC(C)(C)CN;AFYUBCQPUVSMBC-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239174;MM239174;CC(C)(CN)CCCCN;QPIDRHUVWIFOBW-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239175;MM239175;CC(C)(CN)CCCCO;XSFNEPOQEVUTEL-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239176;MM239176;CC(C)(CN)CCCCF;GALXNHCSWAJLOU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239177;MM239177;CCOCCN(O)C=NN;XVKQIPAZSKCXOM-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239178;MM239178;CC(C)(CO)CCCCN;KQJBKJHKZHZSDZ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239179;MM239179;C=NNCCC(O)C=CC;STSDUFHAMLNFFL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239180;MM239180;C=NNCCN(O)C=NN;IJLVUTSQABWNOJ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239181;MM239181;CC(C)(CF)CCCCN;AVZVLSZDEXTPOL-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239182;MM239182;CCCCCC(C)(N)CC;CKGZCFJNUQSFNA-UHFFFAOYSA-N;143.27;2.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239183;MM239183;CCC(C)(N)CCCCN;AEXFURWDGDRDLT-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239184;MM239184;CCC(C)(N)CCCCO;MTWGRAWGCAEWLJ-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239185;MM239185;CCC(C)(N)CCCCF;JSGLPONQPQTBOS-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239186;MM239186;CCCCCC(C)(N)CN;AEUIDVKRNGKFDY-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239187;MM239187;CCCCCC(C)(N)CO;BUSOXNRPZDZCKM-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239188;MM239188;CC(N)(CO)CCCCO;UALIJBNACYOLDR-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239189;MM239189;CCCCCC(C)(N)CF;WKTQXXMMFRPLRN-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239190;MM239190;CC(N)(CF)CCCCF;PFODEMFTXIRKPL-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239191;MM239191;CC#CC(=O)ON=CCO;QPQXQOWELMBRFE-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239192;MM239192;CCC(C)(O)CCCCN;RGTXTPZUYURCGM-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239193;MM239193;CCCCCC(C)(O)CN;WKEOMXCIRZHSCC-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239194;MM239194;CC(O)(CN)CCCCO;FGTQSPYAXRLFRG-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239195;MM239195;CCCCCC(C)(O)CO;UBNIJVDFUWZODL-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239196;MM239196;CC(O)(CO)CCCCN;CSJXNNXWCWEQSH-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239197;MM239197;CCCCCC(C)(O)CF;NSNHBVNORKTPEH-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239198;MM239198;CCCCCC(C)(F)CC;OEMUHMOFJCXJBT-UHFFFAOYSA-N;146.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239199;MM239199;CCC(C)(F)CCCCN;CGRGOYAKJCWDHB-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239200;MM239200;CC=NN=CN(O)CCC;FYBUMKTZTFUJGW-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239201;MM239201;CCC(C)(F)CCCCF;USIIFLLBBIKMCW-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239202;MM239202;CCCCCC(C)(F)CN;JMDRASVOJJDWLV-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239203;MM239203;CC(F)(CN)CCCCF;NXURUZXDRMOTSI-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239204;MM239204;CCCCCC(C)(F)CO;UAUZAIOTENQPSA-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239205;MM239205;CC(F)(CO)CCCCF;UUMMZTQUYNRFQY-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239206;MM239206;CCCCCC(C)(F)CF;RUPBRICQHYHDRL-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239207;MM239207;CCCCCC(F)(F)CC;YLVJNDDOHBZKCL-UHFFFAOYSA-N;150.21;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239208;MM239208;CCC(F)(F)CCCCN;ZPPPVFHOMDBMGN-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239209;MM239209;C=NN(CC)C(C)C(C)O;KSTXZBMYLVHQIB-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239210;MM239210;NCCCCC(F)(F)CF;WLZDERGVNUAUHG-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239211;MM239211;FCCCCC(F)(F)CF;DTKPJBLXBDZOHL-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239212;MM239212;CCC(C)(C)CCCNC;MUACTWGTXQFLCK-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239213;MM239213;CNCCCC(C)(C)CN;UNHBTSOJDFEAGT-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239214;MM239214;CNCCCC(C)(C)CO;UFZGGPXCSOWTRH-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239215;MM239215;CNCCCC(C)(C)CF;FDDDFZXJITUEJY-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239216;MM239216;CCC(C)(N)CCCNC;WCHPPYQCGLOEFC-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239217;MM239217;CNCCCC(C)(N)CF;LVMVEGOILSUWMV-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239218;MM239218;CCC(F)(F)CCCNC;DRIDJFWLNJOYHQ-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239219;MM239219;CNCCCC(F)(F)CN;FKJCXWYYQBJSDC-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239220;MM239220;CNCCCC(F)(F)CF;QWKGSLCTWRGWJY-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239221;MM239221;CCC(C)(C)CCCOC;VJFRDRNHMILDDC-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239222;MM239222;CN=C(NO)C(=O)C(C)=O;JUIKDMCSKLMQMO-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239223;MM239223;CCC(C)(N)CCCOC;DILQDUJPHFNGRH-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239224;MM239224;COCCCC(C)(N)CN;ONCCGGLATFFNBG-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239225;MM239225;COCCCC(C)(N)CO;KYJGUIAFWBGEHU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239226;MM239226;COCCCC(C)(O)CN;JDYDLWAUXLRCPD-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239227;MM239227;CCC(C)(F)CCCOC;XAIFOXGQZWEAFM-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239228;MM239228;CCCCCC(C)(C)NC;MSEWVSADTDAVBO-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239229;MM239229;CNC(C)(C)CCCCN;NCRGTABMGZATSR-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239230;MM239230;CNC(C)(C)CCCCO;IGOWFMJIOVLGPG-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239231;MM239231;CNC(C)(C)CCCCF;PJWJDKUYFYAOQV-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239232;MM239232;CNCCCC(C)(C)NC;DYPODQUZESPQQW-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239233;MM239233;CNC(C)(C)CCCOC;SPDFTSSPQLDRHS-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239234;MM239234;CCCCCC(C)(C)OC;KJRACWZCOVHBQU-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239235;MM239235;COC(C)(C)CCCCN;XWRHRCRPHYKTDI-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239236;MM239236;CC=NOCC(=N)N(C)O;VVQFQGBUVRDLMZ-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239237;MM239237;CNCCCC(C)(C)OC;JJPSDHZCWLZWBC-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239238;MM239238;CCNCCC(C)(C)CC;FXGJAAMIHKMTHR-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239239;MM239239;CCNCCC(C)(C)CN;ITFHVJAMIJBKRH-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239240;MM239240;CCNCCC(C)(C)CO;DQSIIMOBFBXZFJ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239241;MM239241;CCNCCC(C)(C)CF;RFHWMGROUWMRTL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239242;MM239242;CCNCCC(C)(N)CC;XDMCBCKSYFOODU-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239243;MM239243;CCNCCC(C)(O)CC;RAWJCZFXRKJSCV-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239244;MM239244;CCNCCC(C)(O)CO;XWUFGZPIYIVCAS-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239245;MM239245;CCNCCC(C)(F)CC;DRYSARYUGOBMKW-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239246;MM239246;CCNCCC(F)(F)CC;DBNQWTAFSBADAY-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239247;MM239247;CCNCCC(C)(C)NC;WJQPSGDIADJPQM-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239248;MM239248;CCNCCC(C)(C)OC;CGZFXIYIVPHQON-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239249;MM239249;CCOCCC(C)(C)CC;AKTNIWRJCNBFLT-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239250;MM239250;CCOCCC(C)(C)CN;ADNDDFIMHKFXIZ-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239251;MM239251;CCOCCC(C)(C)CO;UQCVXTJFDGKPNI-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239252;MM239252;CCOCCC(C)(C)CF;AJKLWEXWPWKBIM-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239253;MM239253;CCOCCC(C)(N)CC;KEEFETMOWXXZQF-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239254;MM239254;CCOCCC(C)(N)CF;RRHRNFHDDPMFCR-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239255;MM239255;CCOCCC(C)(O)CC;LUAXNPOWDPQBSW-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239256;MM239256;CCOCCC(C)(O)CF;IPTMCZQLLFRAOI-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239257;MM239257;CCOCCC(C)(F)CC;DZHKFVOKYZUOMB-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239258;MM239258;CCOCCC(C)(F)CN;LTNSDCRHAFSWEY-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239259;MM239259;CCOCCC(C)(F)CO;DQPPAMXBDGFSRP-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239260;MM239260;CCOCCC(F)(F)CO;IUQFXKQTCXBZIH-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239261;MM239261;CCOCCC(C)(C)NC;VZOGWZIDYPNHTO-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239262;MM239262;CCOCCC(C)(C)OC;PEHMWVYGOUVYLG-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239263;MM239263;CCCNCC(C)(C)CC;UDEOHTNBOANSQU-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239264;MM239264;CCC(C)(C)CNCCN;BZKNLLAQDQKMET-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239265;MM239265;CCC(C)(C)CNCCO;AXLCXKOOLLQVKD-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239266;MM239266;CCCNCC(C)(C)CN;NIHWNAQVNIVOEW-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239267;MM239267;CC(C)(CN)CNCCN;XVHZFJHLUDLHKT-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239268;MM239268;CC(C)(CN)CNCCO;VSCOSWYSGJAKGF-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239269;MM239269;CCCNCC(C)(C)CO;XONGUWTXSDEELT-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239270;MM239270;CC(C)(CO)CNCCO;VJYRBYRVGZSONY-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239271;MM239271;CCCNCC(C)(C)CF;ABBKYASLMYKRRG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239272;MM239272;CC(C)(CF)CNCCF;SLYLHYSPHFIXNI-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239273;MM239273;CCCNCC(C)(N)CC;ZXAQLKSYQOXKSY-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239274;MM239274;CCC(C)(N)CNCCN;XCRURJSMRMHCRO-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239275;MM239275;CCC(C)(N)CNCCO;BDJOHUYRRYRDSS-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239276;MM239276;CC(N)(CN)CNCCO;QGPIYNSBJAOCBO-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239277;MM239277;CC(N)(CO)CNCCN;YLMVBPKYZCATTL-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239278;MM239278;CC(N)(CO)CNCCO;MYZKPHVEIHCFBY-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239279;MM239279;CC(N)(CF)CNCCO;RYBIRAOUCYTDIN-UHFFFAOYSA-N;150.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239280;MM239280;CCCNCC(C)(O)CC;ULXWAUQOCGHAEO-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239281;MM239281;CCC(C)(O)CNCCO;WUXMZXDDXWXLHL-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239282;MM239282;CC(O)(CN)CNCCN;VHDYZVGXHKGOBF-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239283;MM239283;CC(O)(CN)CNCCO;VRZJKYWNPJAPOD-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239284;MM239284;CCCNCC(C)(O)CO;ISTFORSAXXHZIA-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239285;MM239285;CC(O)(CO)CNCCN;SIQPLRUHJHNWEX-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239286;MM239286;CC(O)(CO)CNCCO;HNMJIRZACXQQNM-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239287;MM239287;CCCNCC(C)(F)CC;INMGHCZEDUPANG-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239288;MM239288;CC(F)(CN)CNCCO;SAMFKXGMFSHDLU-UHFFFAOYSA-N;150.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239289;MM239289;CCCNCC(C)(F)CF;ZLKGBLPCFBRDFL-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239290;MM239290;CCC(F)(F)CNCCF;VHEZTQLQPVDDMV-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239291;MM239291;N=C(N)C(=O)ON=CCO;BAQSMWXLBFPJGK-UHFFFAOYSA-N;145.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239292;MM239292;CCCNCC(C)(C)NC;QOVPHOIHAUDHCC-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239293;MM239293;CNC(C)(C)CNCCO;NKUZZCALAOYAKJ-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239294;MM239294;CCCNCC(C)(C)OC;QSHSNTQAEXDXSE-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239295;MM239295;COC(C)(C)CNCCO;VPYFNEMWTVZSBR-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239296;MM239296;CCCOCC(C)(C)CC;VIEIYMDOSYWLQI-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239297;MM239297;CCC(C)(C)COCCO;GCOMECORMSKYCM-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239298;MM239298;CC(C)(CN)COCCO;COAFLODWMSULOJ-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239299;MM239299;CCCOCC(C)(C)CO;CZQDLXYRGFXWPM-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239300;MM239300;CC(C)(CO)COCCN;PTFFBLQATDUBEK-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239301;MM239301;CC(C)(CO)COCCO;RPNBXKXRIPTEHH-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239302;MM239302;CCCOCC(C)(C)CF;FIAGLEKRJSJQQQ-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239303;MM239303;CC(C)(CF)COCCO;RUZHEUILAYXUGA-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239304;MM239304;CCCOCC(C)(N)CC;JQGOCHCASHOJBY-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239305;MM239305;CC(N)(CN)COCCN;HNGCGBOWDWBANF-UHFFFAOYSA-N;147.22;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239306;MM239306;CC(N)(CN)COCCO;XEHRPXUOSYWATA-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239307;MM239307;CC(N)(CO)COCCN;YBVDEGYBIOOCPY-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239308;MM239308;CC(N)(CO)COCCO;BJXVCXHGOKKMKV-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239309;MM239309;CCCOCC(C)(N)CF;KPOLZBYWGQGUFC-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239310;MM239310;CC(N)(CF)COCCN;YBOHQMIWLFBAPM-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239311;MM239311;CC(O)(CN)COCCO;FFJPILSJICJGAS-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239312;MM239312;CC(O)(CO)COCCF;FMOXZEQKBKQCTH-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239313;MM239313;CC(O)(CF)COCCN;VVMFSNLNAMFRHJ-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239314;MM239314;CC(O)(CF)COCCO;NEUULAIAMQSFCH-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239315;MM239315;CC(O)(CF)COCCF;LLXNUTXBYCTGMQ-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239316;MM239316;CCCOCC(C)(F)CC;HUIWGFYMQHWXBJ-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239317;MM239317;CCC(C)(F)COCCN;RNQXAHPIMVITKX-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239318;MM239318;CC(F)(CN)COCCN;FDUFMDOAIIGKLR-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239319;MM239319;CC(F)(CN)COCCO;CFSXAANQILJKKQ-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239320;MM239320;CCCOCC(C)(F)CO;YAQFCPMJXIJNCF-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239321;MM239321;CC(F)(CO)COCCN;QEHXDCBPNPEBHP-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239322;MM239322;CC(F)(CO)COCCO;OCCQCERMUOFZMB-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239323;MM239323;CC(F)(CF)COCCN;SLDZTMJVYHMDLW-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239324;MM239324;CC(F)(CF)COCCO;DPXBTHCXVJXEDG-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239325;MM239325;CCC(F)(F)COCCN;PCXJPFDHZIPLDY-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239326;MM239326;CCC(F)(F)COCCO;RLJUGNNWQDSSJZ-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239327;MM239327;NCCOCC(F)(F)CN;MICFHNLADFJFGR-UHFFFAOYSA-N;154.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239328;MM239328;CCCOCC(F)(F)CO;OGCLWEQWDPVUOP-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239329;MM239329;NCCOCC(F)(F)CO;JPBINFJNMADGAM-UHFFFAOYSA-N;155.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239330;MM239330;NCCOCC(F)(F)CF;OUXJFTHHKMCNKJ-UHFFFAOYSA-N;157.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239331;MM239331;OCCOCC(F)(F)CF;XDJPOSHKSCIHFX-UHFFFAOYSA-N;158.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239332;MM239332;CCC(C)(C)COCOC;LAOYJNWNORTNLX-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239333;MM239333;COCOCC(C)(C)CO;NWDJQHMMKMMCPL-UHFFFAOYSA-N;148.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239334;MM239334;CCC(C)(N)COCOC;GGSFDAISKWEJAI-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239335;MM239335;COCOCC(C)(N)CN;IBHRMFGJOJJQCK-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239336;MM239336;COCOCC(C)(N)CO;RTEWABXKFOGEMO-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239337;MM239337;COCOCC(C)(O)CN;GSRAYBYBHRZCJB-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239338;MM239338;COCOCC(C)(O)CO;LRSBJNJCFJEZIM-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239339;MM239339;CCC(C)(F)COCOC;RWPNABQIYUXFPG-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239340;MM239340;COCOCC(C)(F)CN;QHANXWMYIZRZHA-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239341;MM239341;COCOCC(C)(F)CO;KZFRGPWZDQSXIM-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239342;MM239342;CCC(F)(F)COCOC;ULLBNZYJJGWXCS-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239343;MM239343;CNC(C)(C)COCOC;IHRGRBHDNCXXPO-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239344;MM239344;COC(C)(C)COCCN;HUUKMJAAZADCRV-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239345;MM239345;COC(C)(C)COCCO;HLXQHFYZEWFQRR-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239346;MM239346;COC(C)(C)COCCF;XGWSKZHFDPIDBC-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239347;MM239347;CCCCNC(C)(C)CC;MFGBPWSFVCIOQG-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239348;MM239348;CCC(C)(C)NCCCN;NJYQZHLJCQPQSX-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239349;MM239349;CCC(C)(C)NCCCO;RZBPVRJFEPWGFU-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239350;MM239350;CCCCNC(C)(C)CN;URCVHPQQWPAVGB-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239351;MM239351;CC(C)(CO)NCCCO;RASFTWQQTXTOIC-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239352;MM239352;CCCCNC(C)(C)CF;CVMUVCFCXMGGFS-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239353;MM239353;CC(C)(CF)NCCCN;MZGQPWAGBFSKTD-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239354;MM239354;CC(C)(CF)NCCCF;SBRZYIDPVHMELH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239355;MM239355;CCC(C)(C)NCCNC;DZNPVCMUEADUET-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239356;MM239356;CNCCNC(C)(C)CF;KRMNQBUECGFOOI-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239357;MM239357;COCCNC(C)(C)CN;QAVKSCGEVIAWOH-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239358;MM239358;CCCCOC(C)(C)CC;FTGPSKPJRKRPSX-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239359;MM239359;CCC(C)(C)OCCCO;RXRWEJOEAHGNKE-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239360;MM239360;CCC(C)(C)OCCCF;WUZANCLVHPBWKD-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239361;MM239361;CCCCOC(C)(C)CN;RMYGWKUDYULARU-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239362;MM239362;CC(C)(CF)OCCCN;GGKSFSMUZVMWLF-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239363;MM239363;CCC(C)(C)OCCNC;HSWCTVOYTXUAHR-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239364;MM239364;CNCCOC(C)(C)CN;WLSPIZGFEKZVEH-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239365;MM239365;CCC(C)(C)OCCOC;JFUGRCRDTDJWMY-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239366;MM239366;CCOCOC(C)(C)CC;IOQXXFXPDWNEBM-UHFFFAOYSA-N;146.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239367;MM239367;CCOCOC(C)(C)CF;ZLTVKESDYIEBFE-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239368;MM239368;C=CCCCC(C)(C)CC;BFHWKBAEFXAPHP-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239369;MM239369;CCC(C)(C)CCCC=O;YBAQFFDLOIICGV-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239370;MM239370;CCC(C)(C)CCCC#N;VQTCSYDDLRGATG-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239371;MM239371;C=CCCCC(C)(C)CN;ZYOKJMUGKKLDBC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239372;MM239372;C=C(F)C(=O)ON=CCO;XFDGWHFDJSUAEH-UHFFFAOYSA-N;147.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239373;MM239373;CC=NN(C)C(C)C(C)O;ZVFIYGXUZQQTTM-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239374;MM239374;CNN=C(CCF)N(C)O;AZGUAGGHRXLMEX-UHFFFAOYSA-N;149.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239375;MM239375;CC(C)(CF)CCCC#N;VGWOHOSNNVGLCQ-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239376;MM239376;C=CCCCC(C)(N)CC;DMLPQGJKHSAKSK-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239377;MM239377;C=CCCCC(C)(N)CN;UFYAUBBEFFURDK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239378;MM239378;C=CCCCC(C)(N)CF;LBEHEORJWNIQEQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239379;MM239379;CON=C(C=CN)N(C)O;YXAYNPVAJUQKFO-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239380;MM239380;CON=C(C=CF)N(C)O;LETKCVJNYOZGNT-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239381;MM239381;CCC(O)CNN(C)C=O;AWUROZXXVONURB-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239382;MM239382;C=CCCCC(C)(O)CO;ISKPMQXXVPVALE-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239383;MM239383;CC(O)(CF)CCCC=O;SHUSHXOGVZLRIQ-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239384;MM239384;C=CCCCC(C)(F)CC;ORVVJCKGMNETFB-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239385;MM239385;CCC(C)(F)CCCC=O;SEPADYNAVIBWMW-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239386;MM239386;CCC(C)(F)CCCC#N;AEYOMIOGTHGMDB-UHFFFAOYSA-N;143.21;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239387;MM239387;C=CCCCC(C)(F)CN;ZUYAKNFEHGEWBB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239388;MM239388;CC(F)(CF)CCCC=O;ZRIMAFWYELEEGA-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239389;MM239389;CC(F)(CF)CCCC#N;AHPWDOMCRCPEMJ-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239390;MM239390;CCC(F)(F)CCCC=O;NYWKJOMMAMOTEV-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239391;MM239391;C=CCCCC(C)(C)NC;MMWBVEAFZAUKLP-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239392;MM239392;CNC(C)(C)CCCC=O;XROBJYOKOTVERA-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239393;MM239393;CNC(C)(C)CCCC#N;XQYFYTRYTRGRRF-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239394;MM239394;C=CCCCC(C)(C)OC;UKMJVDVIJSNBMP-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239395;MM239395;COC(C)(C)CCCC=O;ZUIHAVBCVXTDFS-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239396;MM239396;COC(C)(C)CCCC#N;NPMBHHOSEQUEBZ-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239397;MM239397;CCC(C)(C)CCNC=N;FEVBSSDWSZAVRT-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239398;MM239398;CC(C)(CN)CCNC=O;OAZHGPAHGVYJDQ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239399;MM239399;CC(N)(CN)CCNC=N;JMUOGKWHLRVJPV-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239400;MM239400;CC(N)(CN)CCNC=O;XVPRLJXRKXJTGN-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239401;MM239401;CC(N)(CO)CCNC=N;BAJFWZQKKVHRGU-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239402;MM239402;CC(N)(CO)CCNC=O;LFVAWRDIUVBFOO-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239403;MM239403;CCC(C)(F)CCNC=N;UPWBVOKYGKPTOE-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239404;MM239404;CCC(O)CN(C=N)C=O;JYFWKFYPKBBHNF-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239405;MM239405;CC(F)(CO)CCNC=N;PMURPSXKWOFPTH-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239406;MM239406;CC(F)(CF)CCNC=N;HMUQFQFSPDFCHL-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239407;MM239407;CCC(F)(F)CCNC=N;GKXRBEKCRZMINI-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239408;MM239408;O=CNCCC(F)(F)CF;QJDAZDNAVSXVJB-UHFFFAOYSA-N;155.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239409;MM239409;C=NNCCC(C)(C)CC;WMYOSAMYNVCAEO-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239410;MM239410;C=NNCCC(C)(N)CC;FSILFLKIIIWDGA-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239411;MM239411;C=NNCCC(C)(N)CN;RRDYWVVPQIWVEX-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239412;MM239412;C=NNCCC(C)(N)CO;FBFSJINBDWMXCF-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239413;MM239413;C=NNCCC(C)(F)CF;TWWHTEYUBPFDEZ-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239414;MM239414;CNC(=O)N(N)C(C)CO;CADSOVSHQMRHGO-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239415;MM239415;CNC(C)(C)CCNC=N;RANCILZATGBDBG-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239416;MM239416;CNC(C)(C)CCNC=O;QCIMDURAOFFOCB-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239417;MM239417;C=NNCCC(C)(C)NC;NQJZAGJIRKRETJ-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239418;MM239418;C=NNCCC(C)(C)OC;RRWHNQAZPJKLJG-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239419;MM239419;C=COCCC(C)(C)CC;ATDPTFWFDGNJTK-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239420;MM239420;CCC(C)(C)CCOC=O;ZNLHYXCUUZLADT-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239421;MM239421;C=COCCC(C)(C)CN;ZVXKBAMOHBAVGV-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239422;MM239422;CC(C)(CN)CCOC=O;LQGDCGVQSBQZKG-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239423;MM239423;C=COCCC(C)(C)CO;VQSMSLRCUQELAL-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239424;MM239424;CC(C)(CO)CCOC=O;VRLKXQDSTMHXQJ-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239425;MM239425;C=COCCC(C)(N)CC;VXKKNMRLLQQCKA-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239426;MM239426;CCC(C)(N)CCOC=O;WFBWYIUWVMCVJA-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239427;MM239427;C=COCCC(C)(N)CN;WVYRATRCXZRRBK-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239428;MM239428;CC(N)(CN)CCOC=O;UWVVWIVBJFIYDQ-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239429;MM239429;C=COCCC(C)(N)CF;HIUFAZWLVAIMHT-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239430;MM239430;C=COCCC(C)(O)CC;ZOOMXZJHQODEMZ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239431;MM239431;CCC(C)(O)CCOC=O;ZRAIYLADBMILMJ-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239432;MM239432;CC(O)(CN)CCOC=O;QZYNWJHLMLCYAF-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239433;MM239433;C=COCCC(C)(F)CC;QEQNJXLYVQEMGT-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239434;MM239434;CCC(C)(F)CCOC=O;KGXNADDUTHBZLO-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239435;MM239435;C=COCCC(C)(F)CN;XVELTNXQMWQDOH-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239436;MM239436;CCC(F)(F)CCOC=O;LAUQNXIHDAYQGU-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239437;MM239437;C=NOCCC(C)(C)CC;MIZBYMMZSKASAN-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239438;MM239438;C=NOCCC(C)(C)CN;KNJCTYAVMKJHQT-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239439;MM239439;CNC(=O)C(=N)N(C)OC;NMHFYDLIDWBADP-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239440;MM239440;C=NOCCC(C)(N)CC;HGZYBHDMGLXYGK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239441;MM239441;C=NOCCC(C)(N)CN;UQVYCSIMBNDFTG-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239442;MM239442;C=NOCCC(C)(N)CO;JUTGFJMDBWYUCQ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239443;MM239443;CNN=CN(O)CCOC;USYKQPZOXKUQQO-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239444;MM239444;C=NOCCC(C)(F)CC;HXSAHQUCQDUWCP-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239445;MM239445;C=NOCCC(C)(F)CN;AXONYLHNAYFPTB-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239446;MM239446;C=NOCCC(C)(F)CF;XXCJUVPSAPTTCW-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239447;MM239447;C=NOCCC(F)(F)CC;PGINZWLVCNPGTH-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239448;MM239448;C=COCCC(C)(C)NC;XFGDMROUAPFJME-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239449;MM239449;CNC(C)(C)CCOC=O;ZZBNRRLOJRJURR-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239450;MM239450;C=NOCCC(C)(C)NC;UHTBLFKOKPIEMS-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239451;MM239451;C=COCCC(C)(C)OC;VSYYCILBIVGSPM-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239452;MM239452;C=CCNCC(C)(C)CC;NPZODACZUALVML-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239453;MM239453;CCC(C)(C)CNCC=O;RKNVJLZLVVOJMV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239454;MM239454;CCC(C)(C)CNCC#N;LLIONRNTOHRPED-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239455;MM239455;C=CCNCC(C)(C)CO;WAMUIGCLKDXSKT-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239456;MM239456;C=CCNCC(C)(C)CF;YUSKRFGNPJQOSN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239457;MM239457;C=CCNCC(C)(N)CC;APZZWSDOGZRERL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239458;MM239458;C=CCNCC(C)(N)CN;BINMPHQRKLHXEL-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239459;MM239459;C=CCNCC(C)(N)CO;SIERBDDZUYMGFI-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239460;MM239460;C=CCNCC(C)(O)CC;RHKOGIQYYXVNOL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239461;MM239461;C=CCNCC(C)(F)CC;XSJQURNWRYYDCV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239462;MM239462;CCC(F)(F)CNCC#N;KONFLHGSWBKMSP-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239463;MM239463;C=CCNCC(F)(F)CF;SHXNHABYEGBNGI-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239464;MM239464;C=CCNCC(C)(C)NC;MYBWRTBWQCQAOF-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239465;MM239465;CNC(C)(C)CNCC=O;BGDQKPSSPSRWHW-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239466;MM239466;CNC(C)(C)CNCC#N;FVENHIRBOHGNAW-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239467;MM239467;C=CCNCC(C)(C)OC;JYFIOCZQVPTTDH-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239468;MM239468;COC(C)(C)CNCC#N;RYFKEWYJFCAZDD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239469;MM239469;CNN=CN(O)CCC=O;FOUUTSDLBBPIJI-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239470;MM239470;CC(C)(CN)CNNC=N;FKKJHIMFEQISLE-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239471;MM239471;CC(C)(CN)CNNC=O;SACBXCDJGBJVFE-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239472;MM239472;CC(C)(CO)CNNC=N;OMUSPPVCDOSFEE-UHFFFAOYSA-N;145.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239473;MM239473;C#CCCN(O)C=NNC;IRTZJPMUDCHYGD-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239474;MM239474;CCC(C)(N)CNNC=N;GJZLGRGFPMZGRK-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239475;MM239475;CCC(C)(N)CNNC=O;LZTDVCMOLALDRH-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239476;MM239476;CC(N)(CN)CNNC=N;CNIGZCQEFWCTIH-UHFFFAOYSA-N;145.21;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239477;MM239477;CC(N)(CN)CNNC=O;HIUOMFOCPINKAH-UHFFFAOYSA-N;146.19;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239478;MM239478;CCC(C)(O)CNNC=N;FOVGBHBXAXEXBC-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239479;MM239479;CC=COC(=O)C(=N)NO;IHZHTXUWXJWANQ-UHFFFAOYSA-N;144.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239480;MM239480;CC(O)(CO)CNNC=N;FTOQDHWZPOXEDV-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239481;MM239481;CCC(O)C(C)C=NOC;SAXMOWSHMRNUBX-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239482;MM239482;CC(F)(CN)CNNC=N;YKMJIZCCJKKRAP-UHFFFAOYSA-N;148.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239483;MM239483;CC(F)(CO)CNNC=N;WOSYBFBSYXFYDV-UHFFFAOYSA-N;149.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239484;MM239484;CCN(O)C=NN=CNC;AEMYCWBFOCZVLL-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239485;MM239485;N=CNNCC(F)(F)CO;OMGFKSAFVYTBNF-UHFFFAOYSA-N;153.13;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239486;MM239486;O=CNNCC(F)(F)CO;VWPNBMRNVBTJJX-UHFFFAOYSA-N;154.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239487;MM239487;CNC(C)(C)CNNC=N;ZFSIZDUDKQJQTH-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239488;MM239488;CNC(C)(C)CNNC=O;WBAOCEBUZJYVKU-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239489;MM239489;COC(C)(C)CNNC=N;AOKBAFPAXNUXMK-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239490;MM239490;C=CCOCC(C)(C)CC;VIPIDVCEDUHTQN-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239491;MM239491;CCC(C)(C)COCC=O;TULIAJUOVXUYBS-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239492;MM239492;CCC(C)(C)COCC#N;ZURWFBHVMQUNPP-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239493;MM239493;C=CCOCC(C)(C)CN;ORLKEWGGCVMGEW-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239494;MM239494;C=CCOCC(C)(C)CO;YMBQOCFYSFYZFF-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239495;MM239495;C=CCOCC(C)(C)CF;CPMGKSHYOBKPTR-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239496;MM239496;CC(C)(CF)COCC#N;YPRPHQPPUWAQGB-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239497;MM239497;C=CCOCC(C)(N)CC;GETQXFVXXIOSFH-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239498;MM239498;C=CCOCC(C)(N)CN;YKGZZJDLNBJGEJ-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239499;MM239499;C=CCOCC(C)(O)CC;ALDWBOCCRMCBQN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239500;MM239500;C=CCOCC(C)(O)CO;IHRIAHOLYMOVCV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239501;MM239501;CC(O)(CO)COCC=O;DXSNFQJIJJUSKY-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239502;MM239502;C=CCOCC(C)(F)CC;ZLTBQGKCMCWLCX-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239503;MM239503;C=CCOCC(C)(F)CN;OEBLUYXLSTZMOO-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239504;MM239504;C=CCOCC(C)(F)CO;XIHAULODMOGAFV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239505;MM239505;CC(F)(CO)COCC=O;KQEMSNDWNWZLRF-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239506;MM239506;C=CCOCC(F)(F)CC;MCJCGMNMVAQNNA-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239507;MM239507;CCC(F)(F)COCC#N;RVSRNFXEXTXDIP-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239508;MM239508;O=CCOCC(F)(F)CO;REGDXMWVFXMUDP-UHFFFAOYSA-N;154.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239509;MM239509;C=CCOCC(C)(C)NC;GVNRKMBBUPNVCM-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239510;MM239510;CNC(C)(C)COCC=O;ZOHFKBWITDCXIJ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239511;MM239511;C=CCOCC(C)(C)OC;UOEAFKYLBQJOOK-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239512;MM239512;COC(C)(C)COCC=O;MSQJPERYFOQHKB-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239513;MM239513;CCC(C)(C)CONC=N;HJXVPAAUNZEYOV-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239514;MM239514;CCC(C)(C)CONC=O;MLHUULUDSWWRNJ-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239515;MM239515;CC(C)(CO)CONC=N;AZHGMFLDSGKUPH-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239516;MM239516;CC(C)(CO)CONC=O;HTNHNPNPYWPHJB-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239517;MM239517;CCC(C)(N)CONC=N;JSEPAPBTQMYDAS-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239518;MM239518;CCC(C)(N)CONC=O;IJSAYMVCRYBKDE-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239519;MM239519;CC(N)(CN)CONC=O;QENYOUKWOZOVOX-UHFFFAOYSA-N;147.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239520;MM239520;CC(O)(CN)CONC=N;KSZAMQIRDGPYNN-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239521;MM239521;CC(O)(CO)CONC=N;XBIQTXPLJCFMKR-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239522;MM239522;CC(O)(CO)CONC=O;JXWMCLMTKJMYLG-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239523;MM239523;CC(O)(CF)CONC=O;IFQWGPIQMIQDLR-UHFFFAOYSA-N;151.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239524;MM239524;CCC(C)(F)CONC=N;NPJHIJJZIQCXRW-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239525;MM239525;CC(F)(CN)CONC=O;FXCYZHSLKLSNJD-UHFFFAOYSA-N;150.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239526;MM239526;CC(F)(CO)CONC=N;YODJTDWIWPCOQD-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239527;MM239527;CCC(F)(F)CONC=O;LSCGXDNCCQGQJX-UHFFFAOYSA-N;153.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239528;MM239528;N=CNOCC(F)(F)CO;QNGFZJJFNYBDFU-UHFFFAOYSA-N;154.12;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239529;MM239529;CNC(C)(C)CONC=N;LBLZKOGMRDRGEX-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239530;MM239530;CNC(C)(C)CONC=O;ONJLHTOWKYRGIS-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239531;MM239531;COC(C)(C)CONC=N;BOZWZJHKTGWMIV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239532;MM239532;C=CCCNC(C)(C)CC;JYOKEKSXMBKMDV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239533;MM239533;C=CCCNC(C)(C)CN;ZZTOLHPLHSAPOA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239534;MM239534;C=CCCNC(C)(C)CO;AHPIFNVAWTYUGH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239535;MM239535;C=CCCNC(C)(C)CF;SAJXJTAWIYDVTD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239536;MM239536;C=CCCOC(C)(C)CC;JJFBYYFXUIEAJZ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239537;MM239537;CCC(C)(C)OCCC=O;ZAIZQQWCHSGNLU-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239538;MM239538;CCC(C)(C)OCCC#N;XPJKXSVODADBJE-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239539;MM239539;C=CCCOC(C)(C)CN;IYLYQTIPEDXHLQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239540;MM239540;C=CCCOC(C)(C)CO;VUQHRGOKVUKNHM-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239541;MM239541;C=CCCOC(C)(C)CF;WQHCNAFRXGPCEA-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239542;MM239542;CC(C)(CF)OCCC#N;YLPCTQNUCKJYCJ-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239543;MM239543;COC(C)(C)OCCC=O;YWBWSPMMLIIQRC-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239544;MM239544;C=COCOC(C)(C)CC;NJTGXAJODFBLBK-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239545;MM239545;CCC(C)(C)OCOC=O;RZINZEFQZGDOHS-UHFFFAOYSA-N;146.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239546;MM239546;C=COCOC(C)(C)CN;CYNWSWOVUMCRIZ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239547;MM239547;CC(C)(CN)OCOC=O;AOLLMKNFIDCLKH-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239548;MM239548;C=COCOC(C)(C)CF;JBPWBTFMOSDUBG-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239549;MM239549;C#CCCCC(C)(C)CC;DCGIAMKPVZWQHZ-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239550;MM239550;C#CCCCC(C)(C)CN;VKBAQDKXGMTFMP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239551;MM239551;CCC=NN=CN(O)CC;ZHKRZBAIXAENNF-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239552;MM239552;C#CCCCC(C)(C)CF;SNFJCIKMUWMVSA-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239553;MM239553;C#CCCCC(C)(N)CC;CABWLGIYSRDDKG-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239554;MM239554;C#CCCCC(C)(N)CO;BKMMTOSMWNCVLS-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239555;MM239555;C#CCCCC(C)(N)CF;NFYPTGYTZURLBU-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239556;MM239556;CCN(O)C=NN=CC=O;PGWFFRLRVNXPKO-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239557;MM239557;C#CCCCC(C)(F)CC;SCLKRASPAZCTNQ-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239558;MM239558;C#CCCCC(C)(F)CN;QGFZMLHZJQBMKL-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239559;MM239559;C#CCCCC(C)(F)CF;CHXATSVQEAEROA-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239560;MM239560;C#CCCCC(C)(C)NC;DXTHBRJHRIUGPP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239561;MM239561;C#CCCCC(C)(C)OC;FVYCMKROBYMXQO-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239562;MM239562;C#CCNCC(C)(C)CC;SBKOWDPDKQKQSY-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239563;MM239563;C#CCNCC(C)(C)CF;UVVPYUUBIGXXTH-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239564;MM239564;C#CCNCC(C)(N)CO;BYCCJMSWAVYUIT-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239565;MM239565;C#CCNCC(C)(O)CC;QWDIRGDIRWHMMH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239566;MM239566;C#CCNCC(C)(O)CN;RXCOSQKCCIRTGH-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239567;MM239567;C#CCNCC(C)(O)CO;HJUREXONRVBMJM-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239568;MM239568;C#CCNCC(F)(F)CC;QPEGAVRCGAAXIO-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239569;MM239569;C#CCOCC(C)(C)CC;JOSWFUGSAHNYKC-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239570;MM239570;C#CCOCC(C)(C)CN;OQXWHNQWDSSWAA-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239571;MM239571;C#CCOCC(C)(C)CO;DDNTVBOHNJGLPO-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239572;MM239572;C#CCOCC(C)(C)CF;HHHBWLPXUWDANT-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239573;MM239573;C#CCOCC(C)(N)CC;HPSVRXWOWFRZBB-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239574;MM239574;C#CCOCC(C)(N)CN;AFIJQLIMKMYAKA-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239575;MM239575;C#CCOCC(C)(O)CC;UGDKQWLCXRZCHB-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239576;MM239576;C#CCOCC(C)(O)CF;QFUZSUPITANFJW-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239577;MM239577;C#CCOCC(C)(F)CC;XRNLAIAHILUEIC-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239578;MM239578;C#CCOCC(C)(F)CN;ZJAZUNBBLLNTGS-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239579;MM239579;C#CCOCC(C)(F)CO;PZNFUQJMVYZQHE-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239580;MM239580;C#CCOCC(C)(F)CF;SVNVTGKTYGLMQH-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239581;MM239581;C#CCOCC(F)(F)CC;MTSNMVDVJNWYSG-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239582;MM239582;C#CCOCC(F)(F)CF;CJPGWUBYXKXBSL-UHFFFAOYSA-N;152.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239583;MM239583;C#CCOCC(C)(C)NC;NMQGLOWVWGFMBS-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239584;MM239584;C#CCOCC(C)(C)OC;KOCLPTXKHBAKKM-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239585;MM239585;C#CCCNC(C)(C)CC;RSZNZUDSVWWAQP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239586;MM239586;C#CCCOC(C)(C)CC;RPTROYLLWGEKNN-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239587;MM239587;C#CCCOC(C)(C)CN;OMTWQCBXZXXVOY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239588;MM239588;C#CCCOC(C)(C)CO;ZAWJQNHZKQNGTI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239589;MM239589;C#CCCOC(C)(C)OC;QBKJHBLUUCCTJT-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239590;MM239590;C=CC(C)(C)CCCCC;LXXSZHUPIQOEPU-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239591;MM239591;C=CC(C)(C)CCCCN;HBVFAIGSJGLIQN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239592;MM239592;C#CC=NN=CN(O)CC;WWOUXJINQSVBSW-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239593;MM239593;C=CC(C)(C)CCCCF;GNQIBUKQOXGBGW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239594;MM239594;CCCCCC(C)(C)C=O;DAWZWARVCYSZMZ-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239595;MM239595;CCCCCC(C)(C)C#N;ALLJXBMSGYPKEX-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239596;MM239596;C=NNC(CO)C(=O)C=O;AFPYVBCDEAIVBU-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239597;MM239597;CNN=C(NO)C(F)CF;NIHDTXLOTIYASV-UHFFFAOYSA-N;153.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239598;MM239598;CC(C)(C=O)CCCCF;UVQYWVNYDWRPJA-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239599;MM239599;C=CC(C)(N)CCCCC;VXRZCRSIKOMZEH-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239600;MM239600;C=CC(C)(N)CCCCN;VVHNQGJYQORWBK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239601;MM239601;C=CC(C)(N)CCCCO;PVMWEICOJHZYKO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239602;MM239602;C=CC(C)(N)CCCCF;CDZGAYGFDGOPLG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239603;MM239603;C#CC(=O)C(=NNC)NO;QKBCKMVNOYVTCF-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239604;MM239604;C=CC(C)(O)CCCCN;ALXFGYKLKYFQDE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239605;MM239605;C=NN=C(CCCO)NO;AQEDQHHMANVRJO-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239606;MM239606;CC(C=O)=C(CO)N(C)C;VNTHISWVNYMQPH-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239607;MM239607;CCCCCC(C)(O)C=O;DMVYGZCRUAGVQI-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239608;MM239608;CCCCCC(C)(O)C#N;QAXOKMZVYDLXEW-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239609;MM239609;COCCC(=NN)N(C)O;VVWUVMCJAPKNKF-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239610;MM239610;C=CC(C)(F)CCCCF;ADJLRGDVYAKGDI-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239611;MM239611;CCCCCC(C)(F)C=O;DQUUMINLSAZLOJ-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239612;MM239612;CCCCCC(C)(F)C#N;UWJPYJYNDCBULG-UHFFFAOYSA-N;143.21;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239613;MM239613;C=CC(=NOCC)N(C)O;WXHOFEFORIKTTR-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239614;MM239614;C=CC(=NOC=O)N(C)O;JABPUXGYWFWXNB-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239615;MM239615;CC(F)(C#N)CCCCF;LWFAGQTWHPCWEH-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239616;MM239616;C=CC(F)(F)CCCCC;SZENYISVEVGOAX-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239617;MM239617;C=CC(F)(F)CCCCN;QYFXRKJSGRQMTI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239618;MM239618;NN=C(NO)C(F)C=CF;MZCVEJUFQHKKFI-UHFFFAOYSA-N;151.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239619;MM239619;C=CC(C)(C)CCCNC;QRUSDRYTDCRTCZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239620;MM239620;CNCCCC(C)(C)C=O;ACGQOTXOMJXDKO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239621;MM239621;C=CC(C)(O)CCCNC;GPGXKBFZXVBAIB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239622;MM239622;CNCCCC(C)(F)C#N;MTRXSAHDLOPYMC-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239623;MM239623;COCCCC(C)(F)C#N;FWYJGVIUYMGLJO-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239624;MM239624;COCCCC(F)(F)C#N;PLBKLOWBHCDVHJ-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239625;MM239625;C=CC(C)(C)CCNCC;MYCPBTYVEOWGMW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239626;MM239626;CCNCCC(C)(C)C=O;VAJMBCMJWDMDBP-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239627;MM239627;CCNCCC(C)(C)C#N;TUWKLVHONNYHIT-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239628;MM239628;C=CC(C)(N)CCNCC;YOBGJXCNMSTXEV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239629;MM239629;C=CC(C)(O)CCNCC;WFUTWOXDRGPTJF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239630;MM239630;CCNCCC(C)(O)C#N;SXXPYZGKYMKFML-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239631;MM239631;C=CC(C)(F)CCNCC;GMTZYSMREFZRFQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239632;MM239632;CCNCCC(C)(F)C=O;ZDIMKUUIFAAIOQ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239633;MM239633;C=CC(F)(F)CCNCC;VVICHLYTAGOHTR-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239634;MM239634;C=CC(C)(C)CCOCC;GKAKPUODTOMRJJ-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239635;MM239635;CCOCCC(C)(C)C=O;HIGRAXBBASSCMC-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239636;MM239636;CCOCCC(C)(C)C#N;APCWFALELQMSDB-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239637;MM239637;C=CC(C)(N)CCOCC;CCHXBRXKAQYLMK-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239638;MM239638;C=CC(C)(O)CCOCC;VIGKCQFMABJQEG-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239639;MM239639;CCOCCC(C)(O)C#N;MNHUHXIKJMNFMT-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239640;MM239640;C=CC(C)(F)CCOCC;FEXMZYCQHCQIAK-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239641;MM239641;CCOCCC(C)(F)C=O;JKSJSKOALZYADF-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239642;MM239642;C=CC(F)(F)CCOCC;HQKIXTGIPMDTAJ-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239643;MM239643;C=CC(C)(C)CNCCC;KHYAMDQEXCVIPR-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239644;MM239644;C=CC(C)(C)CNCCF;PJJVFWWLYYKWKO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239645;MM239645;CCCNCC(C)(C)C=O;UENWFHYJVJBUGL-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239646;MM239646;CCCNCC(C)(C)C#N;QAZNEAWIRPKXPX-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239647;MM239647;CC(C)(C=O)CNCCO;YNIKWNODDWATSS-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239648;MM239648;C=CC(C)(N)CNCCC;ZQOJRTOKTPDPDO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239649;MM239649;C=CC(C)(N)CNCCN;AKTRSICIMXKGCI-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239650;MM239650;C=CC(C)(O)CNCCC;PKSNVKWTQILXKY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239651;MM239651;C=CC(C)(O)CNCCF;IMHHCEIKEPWSMJ-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239652;MM239652;CC(O)(C=O)CNCCO;ZKDJQKDWJUVNPR-UHFFFAOYSA-N;147.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239653;MM239653;C=CC(C)(F)CNCCC;XPDVIRTVIIRTFX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239654;MM239654;C=CC(F)(F)CNCCN;BXOOTSWXGNVUKY-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239655;MM239655;CCCNCC(F)(F)C#N;YGOVSTJKNOPLSD-UHFFFAOYSA-N;148.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239656;MM239656;N#CC(F)(F)CNCCF;WCZXETYFQIBEMO-UHFFFAOYSA-N;152.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239657;MM239657;C=CC(C)(C)COCCC;LVQMITPQZOPAOO-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239658;MM239658;C=CC(C)(C)COCCN;IIZIDVBABZNVLS-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239659;MM239659;C=CC(C)(C)COCCO;BHXCYTUEYLPQQY-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239660;MM239660;CCCOCC(C)(C)C#N;VTNULYNNPZZKRB-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239661;MM239661;CC(C)(C=O)COCCF;DMFAUJGFQSPXRJ-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239662;MM239662;C=CC(C)(N)COCCC;NKMVQUWUQWZAJZ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239663;MM239663;C=CC(C)(N)COCCO;DDTSRQQAFZGVLO-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239664;MM239664;C=CC(C)(O)COCCC;OALUUAQBQKJZQJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239665;MM239665;C=CC(C)(O)COCCN;PWUPWXUKETYFEU-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239666;MM239666;C=CC(C)(O)COCCO;IMACZPRGKPHOPR-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239667;MM239667;CC(O)(C=O)COCCO;NMLHVMZMJKROHT-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239668;MM239668;CC(O)(C#N)COCCO;FSVHGEODEUZTLS-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239669;MM239669;CC(O)(C#N)COCCF;OZKFMJQRHANUSL-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239670;MM239670;C=CC(C)(F)COCCC;MMRGJVUIRODCPN-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239671;MM239671;C=CC(C)(F)COCCO;VOBRJANWDROTTN-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239672;MM239672;CCCOCC(C)(F)C=O;CLULOLIEWRYJDZ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239673;MM239673;CCCOCC(C)(F)C#N;JXFUKLTXLDYUTD-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239674;MM239674;C=CC(F)(F)COCCC;DMPCKKZGGOJNIO-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239675;MM239675;C=CC(F)(F)COCCO;UMVXCOQXJZGUPJ-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239676;MM239676;CCCOCC(F)(F)C=O;OYQGXBZZBDLHMM-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239677;MM239677;C=CC(C)(C)COCOC;VGOJNKTYBYHWMZ-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239678;MM239678;COCOCC(C)(C)C=O;KXRXVAOJTIOQMG-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239679;MM239679;COCOCC(C)(C)C#N;XZIRONGYMCKVPT-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239680;MM239680;C=CC(C)(O)COCOC;AXTDRBQWSNNATR-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239681;MM239681;C=CC(F)(F)COCOC;QGYQKQDMSDOQBS-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239682;MM239682;COCOCC(F)(F)C#N;AWAJXVDKNJIZAJ-UHFFFAOYSA-N;151.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239683;MM239683;C=CC(C)(C)NCCCC;HXGHPWWMXZSDGG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239684;MM239684;C=CC(C)(C)NCCCN;LLLSBQHTYMNUOF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239685;MM239685;C=CC(C)(C)NCCCF;VLKVIHUKMCKGAQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239686;MM239686;CCCCNC(C)(C)C=O;PUYFULCERZTUKC-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239687;MM239687;CCCCNC(C)(C)C#N;DGZPCQNYQACVBD-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239688;MM239688;CC(C)(C#N)NCCCF;RUFXFEVVJAUCSV-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239689;MM239689;CNCCNC(C)(C)C=O;SHUZIRTZBLLBRP-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239690;MM239690;C=CC(C)(C)OCCCC;LMTMDBHTEPRKJS-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239691;MM239691;C=CC(C)(C)OCCCN;VXVSYBKZWWBRCQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239692;MM239692;C=CC(C)(C)OCCCO;QXGRHIPPIZQJEP-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239693;MM239693;C=CC(C)(C)OCCCF;FPJJATSTBKGVRI-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239694;MM239694;CC(C)(C=O)OCCCF;POIZDQUVBUWUDZ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239695;MM239695;CC(C)(C#N)OCCCF;VBCVSMAGEGTLRY-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239696;MM239696;C=CC(C)(C)OCCNC;GHNLOJNVAVNOFD-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239697;MM239697;C=CC(C)(C)OCOCC;PRULYYUFVQSISK-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239698;MM239698;C=CCCCC(C)(C)C=C;YHYNARHCKLRVIG-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239699;MM239699;C=CC(C)(C)CCCC#N;YRSVKGULOTUMRB-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239700;MM239700;C=CCCCC(C)(C)C=O;WZCLEOIMWQLNSJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239701;MM239701;C=CCCCC(C)(C)C#N;GWETZGXCGUYQRO-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239702;MM239702;CC(C)(C=O)CCCC=O;LVYJEVPJGCOJSZ-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239703;MM239703;CC(C)(C=O)CCCC#N;DARICDYZYRLOMO-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239704;MM239704;CC(C)(C#N)CCCC#N;GBRNFMUKXFZFRJ-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239705;MM239705;C=CCCCC(C)(N)C=C;UEKUEUWLYAGXLJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239706;MM239706;C#CCN1CCN(O)C=N1;NUYSQRQYOAKAIU-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239707;MM239707;CCNc1ncn(CC)n1;LAEGUVWXBHKKKQ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239708;MM239708;C=CCCCC(C)(O)C#N;ISYJMLXHKBCGFL-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239709;MM239709;CC(O)(C=O)CCCC=O;UHWYVFAGNNCWLN-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239710;MM239710;CC(O)(C#N)CCCC=O;HMHSDMKBXGXHFU-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239711;MM239711;C=CCCCC(C)(F)C=C;KVFMWOHRUQSLSJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239712;MM239712;C=CC(C)(F)CCCC=O;NUCCZVMLVPTLJX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239713;MM239713;C=CC(C)(F)CCCC#N;XTLKFMJUSPXMFD-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239714;MM239714;C=CCCCC(C)(F)C=O;VIEGCCZZWMHTQX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239715;MM239715;C=CCCCC(C)(F)C#N;QCWHSBQMVZHOOO-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239716;MM239716;CC(F)(C#N)CCCC=O;IOWZJAAGHBVBPQ-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239717;MM239717;C=CC(F)(F)CCCC=O;GPYKSFSCRBBMOC-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239718;MM239718;C=CC(C)(C)CCNC=N;MIWUSOWAWZMYFB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239719;MM239719;CC(C)(C=O)CCN=CN;ZFAHAHVHZGSHSF-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239720;MM239720;C=CC(C)(N)CCNC=N;SDXJFIHNWKXLMP-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239721;MM239721;C=CC(C)(O)CCNC=N;RTDBSXFMCJUDLL-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239722;MM239722;CC(O)(C=O)CCN=CN;NYRZJGSNPPCKFF-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239723;MM239723;CC(O)(C=O)CCNC=O;SIQYSRMLEJPZDQ-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239724;MM239724;C=CC(C)(F)CCNC=N;YLFMFBLMPSOAOE-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239725;MM239725;C=CCc1ccc(N=N)[nH]1;BVNPAHUULBDIIG-UHFFFAOYSA-N;135.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239726;MM239726;CC(F)(C#N)CCNC=O;FWRJKUCWTHTNBU-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239727;MM239727;C=CC(F)(F)CCNC=N;KEVFBXUVJPWOKP-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239728;MM239728;C=CC(C)(C)CCNN=C;LTEYRATUJHCNTR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239729;MM239729;C=CC(C)(N)CCNN=C;IWHPCLFLSITCMD-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239730;MM239730;CC=CC(O)CCN1CC1;VRUKAWVSJUCYGN-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239731;MM239731;C=CC(O)CC1NC1C#N;HTAJHJZTUCVKQF-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239732;MM239732;C=CC(C)(F)CCNN=C;MCSIQGFQUJPDNQ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239733;MM239733;CNc1ccc(CO)n1C;DWKAZUDJOZGOKZ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239734;MM239734;C=COCCC(C)(C)C=C;RBMMSZRABHKRKI-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239735;MM239735;C=CC(C)(C)CCOC=O;KXDSYPFYAHDOAR-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239736;MM239736;C=COCCC(C)(C)C=O;NHGGLUFFNAAEDW-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239737;MM239737;CC(C)(C#N)CCOC=O;BUMWHVRMTILLAU-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239738;MM239738;C=COCCC(C)(N)C=C;JKZVGIRIRBNVGD-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239739;MM239739;C=COCCC(C)(O)C=C;VYCDPYHHPCWBNM-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239740;MM239740;C=CC(C)(O)CCOC=O;GOKPCMVDQLAYGP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239741;MM239741;C=COCCC(C)(O)C#N;OTZRIBCZOBIALB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239742;MM239742;CC(O)(C#N)CCOC=O;DSXINSYNWYLUDL-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239743;MM239743;C=CC(C)(F)CCOC=O;QAFLSQKWJIMXHV-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239744;MM239744;C=COCCC(C)(F)C=O;XDNLWEIKHZFMEK-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239745;MM239745;N#CC(F)(F)CCOC=O;BUBXLSMUZKNCDQ-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239746;MM239746;C=CC(C)(C)CCON=C;VLKHUIILKPGGOF-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239747;MM239747;C=NOCCC(C)(C)C=O;ONVDIUPNGGGXPU-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239748;MM239748;C=NOCCC(C)(C)C#N;JTWAHNJGUKOOMQ-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239749;MM239749;C=CC(C)(N)CCON=C;LMFIMGXCORFICL-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239750;MM239750;C#CC(=NN)C1C(C)C1O;BTHPIKBZSVBYGY-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239751;MM239751;C=CC(C)(F)CCON=C;IRBRCXJKFRYJNO-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239752;MM239752;C=CCNCC(C)(C)C=C;BGDSQJBYWBYHJG-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239753;MM239753;C=CC(C)(C)CNCC#N;PWEAIYZSBWHOPP-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239754;MM239754;C=CCNCC(C)(C)C=O;FOTHBZMJAGKEQM-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239755;MM239755;C=CCNCC(C)(O)C=C;JLQBKLAPQNXMHA-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239756;MM239756;C=CCNCC(C)(O)C=O;DZTLMWQGXGABNF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239757;MM239757;CCC1=NN=C(NO)CO1;RDTRXBZEKNSUJU-UHFFFAOYSA-N;143.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239758;MM239758;C=CCNCC(C)(F)C=C;LQSLIQOYNSCPEA-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239759;MM239759;C=CCNCC(C)(F)C#N;OWUSSKRMBXLWNW-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239760;MM239760;CNC1=NCC(NO)=NO1;JWXZDGHCOJWNSY-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239761;MM239761;C=CC(F)(F)CNCC#N;STFNYHMEXQGQSV-UHFFFAOYSA-N;146.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239762;MM239762;CCN(O)C=NN;OLYQUBCTTZBUPH-UHFFFAOYSA-N;103.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239763;MM239763;CC(C)(C#N)CNNC=N;OWSJCLYEFYWEPQ-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239764;MM239764;CC(O)C1CN1C;AVUIKHPARBVXOW-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239765;MM239765;CC(C)(C#N)CNNC=O;HPMVWVIKMHCKGZ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239766;MM239766;C=CC(C)(N)CNNC=N;BXLUDEFPECRNCP-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239767;MM239767;CC(=O)ON=CCO;BPPFKSSVSONECG-UHFFFAOYSA-N;117.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239768;MM239768;CC(O)(C=O)CNN=CN;JTCIQFLBXUVNOP-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239769;MM239769;CC(O)(C#N)CNNC=N;KWHOWKOZIXWXIZ-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239770;MM239770;Nc1cc(N)n(O)c1;WVKZHDMMEXZISF-UHFFFAOYSA-N;113.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239771;MM239771;CC(O)(C#N)CNNC=O;AKHNQNHUMSVGHI-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239772;MM239772;C=CC(F)(F)CNNC=N;JDGXXAIOSVAHOB-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239773;MM239773;C=CC(F)(F)CNNC=O;KOJPZSABGAPJRM-UHFFFAOYSA-N;150.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239774;MM239774;C=CCOCC(C)(C)C=C;PFEHFCLQJGUTGB-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239775;MM239775;C=CC(C)(C)COCC=O;SSFPIMNLIUVEDI-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239776;MM239776;C=CC(C)(C)COCC#N;LWCUATWDOOIDLJ-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239777;MM239777;C=CCOCC(C)(C)C=O;GJNZQGDQYOYXEU-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239778;MM239778;C=CCOCC(C)(C)C#N;OSUWCALBJTZQMR-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239779;MM239779;CC(C)(C#N)COCC=O;ATMOMAQREKCNGF-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239780;MM239780;CC(C)(C#N)COCC#N;BDVXXVATAHTXDQ-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239781;MM239781;C=CCOCC(C)(N)C=C;RSMLQSZPHSUKPK-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239782;MM239782;C=CCOCC(C)(O)C=C;AQKVWHGCHADTJE-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239783;MM239783;CC(O)(C=O)COCC=O;MFLKUAFKSKZQIJ-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239784;MM239784;C=CCOCC(C)(F)C=C;XZSYTGSQOQIEAC-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239785;MM239785;C=CC(C)(F)COCC#N;XHIMJOKWPILAJC-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239786;MM239786;C=CCOCC(C)(F)C#N;LFUXIZGHCSURAI-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239787;MM239787;N#CCOCC(F)(F)C#N;NRHFBNKEJQSZBA-UHFFFAOYSA-N;146.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239788;MM239788;C=CC(C)(C)CONC=N;OCDPIOQOMRUICM-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239789;MM239789;C=CC(C)(C)CONC=O;CPHLURQNDSKXOB-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239790;MM239790;CC(C)(C=O)CONC=O;IYGLAOJIFKCNIV-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239791;MM239791;C=CC(C)(N)CONC=N;ZQDUPFGXCOYTDB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239792;MM239792;C=CC(C)(O)CONC=N;MLLFWWYMEDEPLD-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239793;MM239793;CC(O)(C=O)CONC=O;VZHHEBNIFLNPFB-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239794;MM239794;CC(O)(C#N)CONC=O;MMIXYMIMXCQEPF-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239795;MM239795;C=CC(F)(F)CONC=O;DZTKZCVDVMOUNR-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239796;MM239796;N#CC(F)(F)CONC=O;LVRURZWNSVRHIL-UHFFFAOYSA-N;150.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239797;MM239797;C=CCCNC(C)(C)C=C;HJPRILLPDNIPHW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239798;MM239798;C=CC(C)(C)NCCC=O;DALLFEVKKQQZGM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239799;MM239799;C=CCCNC(C)(C)C=O;XWSFTIWKLGPAKC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239800;MM239800;C=CCCNC(C)(C)C#N;RHEIAOBUYJLGPD-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239801;MM239801;Cc1oc(N)nc1N;ADRYDMUVCJEBSM-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239802;MM239802;CC(C)(C#N)NCCC#N;JATNRWMZAMKEBX-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239803;MM239803;C=CCCOC(C)(C)C=C;XVJWRFOPOMGYDA-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239804;MM239804;C=CC(C)(C)OCCC=O;DJEGNBWSRIAATR-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239805;MM239805;C=CC(C)(C)OCCC#N;FWHWJZAAJDSIDY-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239806;MM239806;C=CCCOC(C)(C)C=O;BBGKZLXGLKBQNA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239807;MM239807;C=CCCOC(C)(C)C#N;LUCFGKKVXHOYJD-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239808;MM239808;CC(C)(C#N)OCCC=O;NPQKNEAFIYKHNL-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239809;MM239809;C=COCOC(C)(C)C=C;MJUCJWPAFZALJZ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239810;MM239810;C=CC(C)(C)OCOC=O;IQPPSDUVVWJOLV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239811;MM239811;C=CC(C)(C)OCON=C;AECUXCFRVCQHHN-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239812;MM239812;C#CCCCC(C)(C)C=C;RDIWIMBZMURGJK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239813;MM239813;C#CCCCC(C)(C)C=O;UNULHHFJUYFKTC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239814;MM239814;C#CCCCC(C)(C)C#N;PGPKMICFXYGDCL-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239815;MM239815;C#CCCCC(C)(N)C=C;XECIREOLVFVNLG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239816;MM239816;CNC(=O)N(N)C=N;PTIGDJYKMIAMKT-UHFFFAOYSA-N;116.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239817;MM239817;C#CCCCC(C)(O)C=O;VJRBOHGRBDUTLT-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239818;MM239818;C#CCCCC(C)(O)C#N;XTFWODVTQOKWPE-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239819;MM239819;C#CCCCC(C)(F)C=C;JISMEVXRWSSTFK-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239820;MM239820;C#CCCCC(C)(F)C=O;SRXZOIUVTZSNQJ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239821;MM239821;C#CCCCC(C)(F)C#N;SPONCQVQFFETCF-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239822;MM239822;C#CCNCC(C)(C)C=C;UHMBRDGYCMZLBJ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239823;MM239823;C#CCNCC(C)(C)C=O;ULFBMDCDJHBVKB-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239824;MM239824;C#CCNCC(F)(F)C=C;MYCGPYRLMDPIHF-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239825;MM239825;C#CCOCC(C)(C)C=C;PQACQDVQVRVPRN-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239826;MM239826;C#CCOCC(C)(C)C=O;CGNGSWQUBQHISO-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239827;MM239827;C#CCOCC(C)(C)C#N;GBSVIIGVAGTZNP-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239828;MM239828;C#CCOCC(C)(O)C=C;FQDWRPMPMQAAST-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239829;MM239829;C#CCOCC(C)(O)C=O;BPVUFGOSRUZGEG-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239830;MM239830;C#CCOCC(C)(F)C=C;LQVXVMLYQNDMCY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239831;MM239831;C#CCOCC(C)(F)C=O;XXNPIGITXNIAOI-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239832;MM239832;C#CCOCC(C)(F)C#N;UMLOKJFFYNAQDS-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239833;MM239833;C#CCOCC(F)(F)C#N;BEKJTDGVTYDDMF-UHFFFAOYSA-N;145.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239834;MM239834;C#CCCNC(C)(C)C=C;NPKMHDTZBZXSLK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239835;MM239835;C#CCCOC(C)(C)C=C;UEGWUYCBOMLZKG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239836;MM239836;C#CCCOC(C)(C)C=O;GJCIFQLYBOKJTN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239837;MM239837;C#CCCOC(C)(C)C#N;VEGFQRVODLHIMC-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239838;MM239838;C#CC(C)(C)CCCCC;CMUSTIDRYLPAMQ-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239839;MM239839;C#CC(C)(C)CCCCN;DJDBINMSGCXWIE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239840;MM239840;CCN(O)C=NNC;HTGFXCYBYHYXOB-UHFFFAOYSA-N;117.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239841;MM239841;C#CC(C)(C)CCCCF;HFLBSSRDGIHPEY-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239842;MM239842;C#CC(C)(N)CCCCC;QHIAJKXEEHZIQJ-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239843;MM239843;C#CC(C)(N)CCCCF;URMVQXMMHVBCNW-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239844;MM239844;C#CC(C)(O)CCCCF;ORAJLLRRPOZTOY-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239845;MM239845;C#CC(C)(F)CCCCC;KGOYBFUNPMJXHP-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239846;MM239846;CNN=C(CF)NO;ZFWNCRBJZZQWEK-UHFFFAOYSA-N;121.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239847;MM239847;C#CC(C)(F)CCCCF;WGGRCPSAHQKKEM-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239848;MM239848;C#CC(F)(F)CCCCC;JHTZSHRKCBCMIG-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239849;MM239849;C#CC(C)(C)CCCNC;VHXOEIWFHGOWNS-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239850;MM239850;C#CC(C)(F)CCCOC;ZZTLALGTVKQNMY-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239851;MM239851;C#CC(C)(C)CCNCC;AMRYSBLROXODTP-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239852;MM239852;C#CC(C)(F)CCNCC;OCGVUUBJCGTQBU-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239853;MM239853;C#CC(C)(C)CCOCC;SXLBUHOXUIWHGM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239854;MM239854;C#CC(C)(N)CCOCC;UGVVEXBDJFOYKH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239855;MM239855;C#CC(C)(O)CCOCC;IFZAOUNRTVIKRS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239856;MM239856;C#CC(C)(F)CCOCC;YZGAQMVFWNGPBG-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239857;MM239857;C#CC(C)(C)CNCCC;UBLRQGKBNJJRFW-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239858;MM239858;C#CC(C)(C)CNCCF;UALPODGXCHIHJR-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239859;MM239859;C#CC(C)(N)CNCCN;GMAKEBMCLPJIQC-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239860;MM239860;C#CC(C)(N)CNCCO;KGPAKMJQHCCJLR-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239861;MM239861;C#CC(C)(N)CNCCF;UKOWCHIVRPJEQD-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239862;MM239862;C#CC(C)(O)CNCCN;CBGKHCPLXLHGIC-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239863;MM239863;C#CC(C)(O)CNCCO;SGHTUIJDKHVCES-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239864;MM239864;C#CC(C)(F)CNCCC;CUMWAVHCFBVURW-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239865;MM239865;C#CC(C)(F)CNCCN;LFHFCSVUPVFQTC-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239866;MM239866;C#CC(C)(C)COCCC;FTTIBLOYLGNJKU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239867;MM239867;C#CC(C)(C)COCCO;YLGVLDIURGQOOA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239868;MM239868;C#CC(C)(C)COCCF;CLFVRIKMMXAMFT-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239869;MM239869;C#CC(C)(N)COCCC;BRDNYUVZVJDFMV-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239870;MM239870;C#CC(C)(N)COCCN;MSSMCIJYMHAHRB-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239871;MM239871;C#CC(C)(N)COCCO;ZZTWLKYOOQISPT-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239872;MM239872;C#CC(C)(O)COCCC;XBLSHHWHZXJLTO-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239873;MM239873;C#CC(C)(O)COCCN;BDSUIHTZBKBHKN-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239874;MM239874;C#CC(C)(O)COCCO;XEVABEMNDWROBH-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239875;MM239875;C#CC(C)(F)COCCC;DOQWALWNWOSSSV-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239876;MM239876;C#CC(F)(F)COCCC;WVHPPPVIYYAPAN-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239877;MM239877;C#CC(C)(C)COCOC;UGKYCPHLOWGRPL-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239878;MM239878;C#CC(C)(N)COCOC;NEEAGKOTPBIJAI-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239879;MM239879;C#CC(C)(O)COCOC;DIKMGFHEBFDVDD-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239880;MM239880;C#CC(C)(F)COCOC;NMYSJIHAVPDLKF-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239881;MM239881;C#CC(F)(F)COCOC;GDGLSZMLPMHENS-UHFFFAOYSA-N;150.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239882;MM239882;C#CC(C)(C)NCCCC;PSIOAFYUECKQAZ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239883;MM239883;C#CC(C)(C)NCCCF;HBAFXIWJWOMMPH-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239884;MM239884;C#CC(C)(C)NCCNC;YEVOHDBCMLHDFA-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239885;MM239885;C#CC(C)(C)OCCCC;SBAGOONQYGKYNY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239886;MM239886;C#CC(C)(C)OCCCN;YHLSXOVGDNHRNY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239887;MM239887;C#CC(C)(C)OCCCO;ZFAJBGINIXNHRX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239888;MM239888;C#CC(C)(C)OCCCF;OJICFWMZUCJUQK-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239889;MM239889;C#CC(C)(C)OCCNC;HIANLMKVRWHYDA-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239890;MM239890;C#CC(C)(C)OCCOC;BMKNPJMNIWRDMY-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239891;MM239891;C#CC(C)(C)OCOCC;QKAYLNXVCDFSHI-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239892;MM239892;C#CC(C)(C)CCCC=C;RHVUVCDDGXSMBO-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239893;MM239893;C#CC(C)(C)CCCC=O;WTUCNYSTWLRSBV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239894;MM239894;C#CC(C)(C)CCCC#N;FNGNDVXQWOPXEP-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239895;MM239895;C#CC(C)(N)CCCC=C;REDJCTBWFOYSCC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239896;MM239896;C#CC(C)(O)CCCC=C;UAVUPAOJGOXKST-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239897;MM239897;C#CC(C)(F)CCCC=C;FRTBHHITTPMREZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239898;MM239898;C#CC(C)(F)CCCC=O;JARKLEQLCBOIRW-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239899;MM239899;C#CC(C)(F)CCCC#N;ZSURBHHAYBBMNJ-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239900;MM239900;C#CC(C)(C)CCNC=N;NUHUQTUIJPZAEJ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239901;MM239901;CC(O)C1NC1CF;VPJMSIHLKFCSJB-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239902;MM239902;C#CC(C)(N)CCNC=N;MBOBAMJJOVKOGP-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239903;MM239903;C#CC(C)(N)CCNC=O;ORZLDXNJCNPXKT-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239904;MM239904;C#CC(C)(O)CCNC=O;CXSGBADUFGYVBR-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239905;MM239905;C#CC(C)(F)CCNC=N;XFTBCVGJQBYUAG-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239906;MM239906;C#CC(C)(F)CCNC=O;VAZFCOINMXZMNH-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239907;MM239907;C#CC(C)(C)CCNN=C;SWHAQNAUJWQNGC-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239908;MM239908;C#CC(C)(N)CCNN=C;XKEYFLJMMYBUHK-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239909;MM239909;C#CC(C)(F)CCNN=C;PCESCOAXTXFYHA-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239910;MM239910;C#CC(F)(F)CCNN=C;LVIIKDABYCLKOS-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239911;MM239911;C#CC(C)(C)CCOC=C;GFOBWGFBCISERP-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239912;MM239912;C#CC(C)(N)CCOC=C;WTFWRHIISRXOBD-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239913;MM239913;C#CC(C)(O)CCOC=C;MXMNTMUYJPQVLI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239914;MM239914;C#CC(C)(O)CCOC=O;HPQTVZGIJXOVHG-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239915;MM239915;C#CC(C)(F)CCOC=C;FIIJUCUGGLQBDS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239916;MM239916;C#CC(C)(C)CCON=C;LRPDQSOZYHZUJU-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239917;MM239917;C#CC(C)(C)CNCC=C;LXWNFIXPJBTTEK-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239918;MM239918;C#CC(F)(F)CNCC=C;CSCLNZWOKATVNQ-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239919;MM239919;C#CC(C)(N)CNNC=N;PVKNVHGTLUVLCT-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239920;MM239920;C#CC(C)(O)CNNC=N;VHXANFCWSGNVHR-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239921;MM239921;NN=CON=CCO;CSPPBLIPIHNGMT-UHFFFAOYSA-N;117.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239922;MM239922;C#CC(C)(F)CNNC=O;RPTROCXNOAWDFT-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239923;MM239923;C#CC(F)(F)CNNC=N;VMKRJYDFSIBOCF-UHFFFAOYSA-N;147.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239924;MM239924;C#CC(F)(F)CNNC=O;QRHHHJLUEUHZLF-UHFFFAOYSA-N;148.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239925;MM239925;C#CC(C)(C)COCC=C;BELVSKWIVLGNNM-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239926;MM239926;C#CC(C)(C)COCC=O;WRCPVDGYOPUBGB-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239927;MM239927;C#CC(C)(C)COCC#N;CDHAWVRNEQKLPZ-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239928;MM239928;C#CC(C)(O)COCC=C;VQTBFEUVDFZGTH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239929;MM239929;C#CC(C)(O)COCC=O;SLGWHNFUVRJYQG-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239930;MM239930;C#CC(C)(F)COCC=C;RUFUSMBAFZKVIL-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239931;MM239931;C#CC(C)(F)COCC#N;AFLVLMPIMBUXLG-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239932;MM239932;C#CC(F)(F)COCC=O;OUYNJERYDRIVMT-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239933;MM239933;C#CC(C)(C)CONC=N;GQOCMONITUONSL-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239934;MM239934;C#CC(C)(N)CONC=N;YWDXIPMQCSXNCK-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239935;MM239935;C#CC(C)(O)CONC=N;LHFVVZSSUWOAMV-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239936;MM239936;C#CC(C)(O)CONC=O;YPXFWNKKCVPOCJ-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239937;MM239937;C#CC(F)(F)CONC=O;ZILSFKPECDEEMA-UHFFFAOYSA-N;149.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239938;MM239938;C#CC(C)(C)NCCC=C;TZZKLJUZPAPDCZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239939;MM239939;C#CC(C)(C)NCCC=O;ZDKRPCBUQQYUHI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239940;MM239940;C#CC(C)(C)OCCC=C;SBNATOSZUJWFSK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239941;MM239941;C#CC(C)(C)OCCC=O;XRCPFKNBXAXWPF-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239942;MM239942;C#CC(C)(C)OCCC#N;BRMRUCOZUIVFCW-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239943;MM239943;C#CC(C)(C)OCOC=C;FQAFQWQQZIQDQB-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239944;MM239944;C#CC(C)(C)OCOC=O;VBEGVBRZNLQZQB-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239945;MM239945;C#CC(C)(C)OCON=C;FQEPFMPUFCWQOY-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239946;MM239946;C#CCCCC(C)(C)C#C;JBYJQJKEJMZFLW-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239947;MM239947;C#CCCCC(C)(N)C#C;BYUJHGUDWWHZQO-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239948;MM239948;C#CCCCC(C)(O)C#C;YDEFSAOMPVINTM-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239949;MM239949;C#CCNCC(C)(C)C#C;RAQXPIYHDSQQSH-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239950;MM239950;C#CCNCC(C)(N)C#C;JRFZZMWYSFISBY-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239951;MM239951;C#CCOCC(C)(C)C#C;WZHPNRFHUFJDLF-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239952;MM239952;C#CCOCC(C)(F)C#C;WYCNEHTYAHZZLO-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239953;MM239953;C#CCOCC(F)(F)C#C;FMQGCAVCSODEIJ-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239954;MM239954;C#CCCNC(C)(C)C#C;JAXSOLUCSNYAJN-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239955;MM239955;C#CCCOC(C)(C)C#C;HIOGLQCJUPGZQW-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239956;MM239956;CC=CCCC(C)(C)CC;XFIOSFYIMWNKOX-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239957;MM239957;CCC(C)(C)CCC=CF;FSPYDEODOKNHJH-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239958;MM239958;CC=CCCC(C)(C)CN;IXYRVQJTEARAEH-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239959;MM239959;CC(C)(CN)CCC=CF;NPIDLPQOICNBHZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239960;MM239960;CC(C)(C)ON=CCO;ORETWQFUUPPSFE-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239961;MM239961;CC=CCCC(C)(N)CC;DRGJOSMLAFRSCR-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239962;MM239962;CCC(C)(N)CCC=CF;MFQDLHVGCNYCKG-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239963;MM239963;CC=CCCC(C)(N)CN;JKXMOBKHEFEANV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239964;MM239964;CC=CCCC(C)(N)CF;UQGZVBLJQSLNHC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239965;MM239965;CC(N)(CF)CCC=CF;NLSJBJBXQLGYAZ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239966;MM239966;CC1(C#N)CN(O)C=N1;SJDDEENNQOTBDK-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239967;MM239967;CC=CCCC(C)(O)CO;ZVQOIOFVVPWXEH-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239968;MM239968;CC=CCCC(C)(F)CC;IUFHAXSSHHZPFP-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239969;MM239969;CCC(C)(F)CCC=CF;KXPBHZLRUWHLJH-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239970;MM239970;CC=CCCC(C)(F)CN;TUYPQMFTSCPRFY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239971;MM239971;CC=CCCC(C)(F)CO;GPYWDYPENFJMFQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239972;MM239972;CC=CCCC(C)(F)CF;ISUNRGZMTLLIBC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239973;MM239973;CC=CCCC(F)(F)CO;UYDROZNJIORUTB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239974;MM239974;CCC(C)(C)CCC=NN;NTFQAPKLFRPFBL-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239975;MM239975;C#CC1(C)CN(O)C=N1;MBNIYFUYBXUQSX-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239976;MM239976;CC(C)(CN)CCC=NO;GUOBNLVTDOCDRS-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239977;MM239977;CC(C)(CO)CCC=NO;FGJDQPLBTJYBRA-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239978;MM239978;CCC(C)(N)CCC=NO;XGMHJSPXYOEQJC-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239979;MM239979;CC(N)(CN)CCC=NO;DKLJAJZQBWTFOH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239980;MM239980;CC(N)(CO)CCC=NO;JTXUKIOILYJDMG-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239981;MM239981;CC(=O)CON=CCO;UUZJEEBJUDVJNZ-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239982;MM239982;CN(N=CCF)C(N)=O;YKVPGQHRLNUMFO-UHFFFAOYSA-N;133.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239983;MM239983;CCC(C)(F)CCC=NN;BQDOQJDUZZTQSD-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239984;MM239984;CCC(C)(F)CCC=NO;NMKYBXWMUGKCNP-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239985;MM239985;CC(F)(CF)CCC=NN;MNRRBVICUHZECL-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239986;MM239986;CC(F)(CF)CCC=NO;INQWJMIKKNQGIX-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239987;MM239987;CCC(F)(F)CCC=NO;GLHIGKADYSPLTM-UHFFFAOYSA-N;151.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239988;MM239988;NN=CCCC(F)(F)CF;JKOPJUDSHFKBST-UHFFFAOYSA-N;154.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239989;MM239989;CC=CCCC(C)(C)NC;XWAKYZZJMUJQLW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239990;MM239990;CNC(C)(C)CCC=CF;QBKLYLSMYWLWLA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239991;MM239991;CNC(C)(C)CCC=NO;LPKGXVUFGXXZRV-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239992;MM239992;CC=CCCC(C)(C)OC;OPLSFJWNCBSRPU-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239993;MM239993;COC(C)(C)CCC=CF;BNIDQQQVINWCTI-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239994;MM239994;COC(C)(C)CCC=NN;HRGGCXDCWCEXMY-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239995;MM239995;COC(C)(C)CCC=NO;LUAFMJHKZGBYTI-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239996;MM239996;CCC(C)(C)CN=CNC;NFGGVBCIGVZJLQ-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239997;MM239997;CCC(C)(C)CN=CNN;YDFVIRRUOWYXIZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239998;MM239998;CN=CNCC(C)(C)CN;YKVOCRQHLSRCHY-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM239999;MM239999;CC(C)(CN)CN=CNO;UCCVMDGXMVMQBH-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240000;MM240000;CN=CNCC(C)(C)CF;XMIBYTUKWCVQLO-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240001;MM240001;CC(C)(CF)CN=CNN;ONEBIJROIOEPOU-UHFFFAOYSA-N;147.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240002;MM240002;CN=CNCC(C)(N)CN;OGGXGDXSIFRCAF-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240003;MM240003;CC(N)(CN)CN=CNO;YXSHONXADYKEDR-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240004;MM240004;CN=CNCC(C)(N)CO;VMJSVLYQEUOSTA-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240005;MM240005;CN=CNCC(C)(N)CF;YYVXADLRBYFIRV-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240006;MM240006;CN=CNCC(C)(O)CN;BYFTXZNLGAJYCU-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240007;MM240007;CC(O)(CN)CN=CNO;SIPLEONILZOFST-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240008;MM240008;CN=CNCC(C)(O)CO;UZRDKJCNMWOMRB-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240009;MM240009;CC(O)(CF)CN=CNN;KHZKVKDUENXTAY-UHFFFAOYSA-N;149.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240010;MM240010;CCC(C)(F)CN=CNC;OMLVIYFAWWHBAW-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240011;MM240011;CCC(C)(F)CN=CNN;GYDBGUJRLCLJLX-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240012;MM240012;CCC(F)(F)CN=CNC;PQKNBNYEGKNPOF-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240013;MM240013;CNC(C)(C)CN=CNN;HSBUXMBWEJTFSR-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240014;MM240014;CNC(C)(C)CN=CNO;FVEMVSHOOPTAEO-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240015;MM240015;COC(C)(C)CN=CNN;QVAONYHTLNLOKM-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240016;MM240016;CC=NNCC(C)(C)CC;OKMQRTGVAXTJEP-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240017;MM240017;CC=NNCC(C)(C)CN;KPJJZXZXMLAVOR-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240018;MM240018;CC=NNCC(C)(N)CC;IONDPGXZXVHYGC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240019;MM240019;CC=NNCC(C)(F)CF;CBQIVBXBNFQLRK-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240020;MM240020;CC=NNCC(C)(C)NC;SGDWGPSTZNYQKP-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240021;MM240021;CC=NNCC(C)(C)OC;JSPMMIAPGFWUBX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240022;MM240022;CC=COCC(C)(C)CC;NDLFCOSIRQVYMH-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240023;MM240023;CC=COCC(C)(C)CN;JSZNBMDHUHYIKK-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240024;MM240024;CC(C)(CN)COC=CF;BNDGVJMUUJEQOG-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240025;MM240025;CC(C)(CO)COC=CF;JOSASPXOFGDIRU-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240026;MM240026;CC=COCC(C)(C)CF;MFHFALLPOSKYTO-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240027;MM240027;CC=COCC(C)(N)CC;LKBOTYYODBRBGC-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240028;MM240028;CCC(C)(N)COC=CF;BORNZCIVVOSDIQ-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240029;MM240029;CC(N)(CN)COC=CF;NSRRFYFKAFJBFR-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240030;MM240030;CC(N)(CF)COC=CF;AEGKKUAITKUSFB-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240031;MM240031;CC=COCC(C)(O)CC;OCCYQXQCYIXRSW-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240032;MM240032;CCC(C)(O)COC=CF;AAPQKKMTOIULLP-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240033;MM240033;CC=COCC(C)(O)CF;SGBKTQYHQBCSPX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240034;MM240034;CC(O)(CF)COC=CF;KDIJDTRNXOKWBC-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240035;MM240035;CC=COCC(C)(F)CC;XOLQVAURWBVTAM-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240036;MM240036;CCC(C)(F)COC=CF;TYXNDNSGLFXCEH-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240037;MM240037;CC=COCC(C)(F)CN;DPGLJPZWXNYFLV-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240038;MM240038;CC(F)(CN)COC=CF;YAWCIHJOBQSYJC-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240039;MM240039;CC=COCC(C)(F)CO;QCWBIVJJFHXXEV-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240040;MM240040;CC=COCC(F)(F)CC;XBBANBYBFVWSGA-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240041;MM240041;CC=COCC(F)(F)CO;LSJYUWDBCOUJMP-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240042;MM240042;OCC(F)(F)COC=CF;ODIGCVNEGVTCSM-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240043;MM240043;C=CC(O)CCNN=C;LREWRCDBMFQFAB-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240044;MM240044;CCC(C)(C)COC=NO;WGPDJWLHXBRBNL-UHFFFAOYSA-N;145.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240045;MM240045;CC(C=O)ON=CCO;BZDISJXJWZVZAM-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240046;MM240046;CC(N)(CO)COC=NO;BMIOIJQQHAGDIM-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240047;MM240047;CC(O)(CN)COC=NO;FMAFHGKNSPYPFY-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240048;MM240048;CC(O)(CF)COC=NO;YAUYMXAFCFHTFZ-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240049;MM240049;CC(F)(CN)COC=NO;BOJLRZPDRGBRJY-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240050;MM240050;CC(C#N)ON=CCO;DCGAWSAFMVWUBG-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240051;MM240051;CC(F)(CF)COC=NO;ZWEMMDYCRLDRKA-UHFFFAOYSA-N;153.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240052;MM240052;CC(=NN)ON=CCO;MVUBMCAHJJWCSK-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240053;MM240053;CCC(F)(F)COC=NO;ZKGCNNMZNJPRCD-UHFFFAOYSA-N;153.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240054;MM240054;CC=COCC(C)(C)NC;PRHXDGNTKYOCKN-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240055;MM240055;CNC(C)(C)COC=CF;XZFCVPLEHRXQKH-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240056;MM240056;CC=COCC(C)(C)OC;OBMQMRLHEBXDAV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240057;MM240057;COC(C)(C)COC=CF;LWRDNEVXXTXNSQ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240058;MM240058;CC=NOCC(C)(C)CC;UXLIOMNPYWREKR-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240059;MM240059;CC=NOCC(C)(C)CN;PIJFOTQDIJJXNB-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240060;MM240060;CCOC(=O)C(=N)NO;QGYKRMZPOOILBA-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240061;MM240061;CC=NOCC(C)(C)CF;BQUQKIHJGUQBNQ-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240062;MM240062;CC=NOCC(C)(N)CC;YZTMMOJOCQKGNH-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240063;MM240063;CC=NOCC(C)(N)CO;NWYGQRVJMFETOY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240064;MM240064;CNC(=O)N(N)C=NN;XDFSSLQUCDGDQF-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240065;MM240065;CC=NOCC(C)(O)CN;DZPFECALRDKYJI-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240066;MM240066;CC=NOCC(C)(F)CC;HDPYJZXAKDFDKC-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240067;MM240067;CC=NOCC(F)(F)CC;LLNDKBSZXCKUFL-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240068;MM240068;CC=NOCC(C)(C)NC;DUUDEGKLUSYWCH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240069;MM240069;CC=NOCC(C)(C)OC;JXVOPDMXKODXBB-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240070;MM240070;CC=CCNC(C)(C)CC;LVZMHCBQRBOGMW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240071;MM240071;CCC(C)(C)NCC=CF;YLPCVYGXCKGUDV-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240072;MM240072;CC=CCNC(C)(C)CN;PKXWUFUJIWITFI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240073;MM240073;CC=CCNC(C)(C)CO;XOZRUSAQHJHGQE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240074;MM240074;CC=CCNC(C)(C)CF;PEALJTVPODSPEV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240075;MM240075;CN=CNNC(C)(C)CN;QBOBKNPYNSZWQB-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240076;MM240076;CC(C)(CN)NN=CNO;CXQFJDGKUABKIB-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240077;MM240077;CN=CNNC(C)(C)CO;OJAFDIPXEWEEFU-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240078;MM240078;CN(C)C(=CC=O)CO;RSSPIBFEFXHSFL-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240079;MM240079;CC=CCOC(C)(C)CC;JSKBVICHGCUAFD-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240080;MM240080;CC=CCOC(C)(C)CN;BQPQLLJLBFOALM-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240081;MM240081;CC(C)(CO)OCC=CF;DHYVDXJKSJDTAX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240082;MM240082;CC=CCOC(C)(C)CF;SIRRHFSNQTUPNA-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240083;MM240083;CCC(C)(C)OCC=NN;BLJFJWJWXCEWSS-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240084;MM240084;CCC(C)(C)OCC=NO;YODKLVYKVMFSNW-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240085;MM240085;CC(C)(CN)OCC=NO;XNFJLUKNPLLNCP-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240086;MM240086;COC(C)(C)OCC=CF;GLBVRVZLBSBDLS-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240087;MM240087;CCC(C)(C)ON=CNN;AWKHRWDFIDMXCK-UHFFFAOYSA-N;145.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240088;MM240088;CCCc1cnc(N)o1;ZDYGUPPFAHBLGA-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240089;MM240089;CN=CNOC(C)(C)CN;KHOGRYHBIFLNFK-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240090;MM240090;CC(C)(CF)ON=CNN;XDPPWCZMNDANSX-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240091;MM240091;CCNc1ncn(C)n1;ROONGBUDXAXALV-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240092;MM240092;C=CC(C)(C)CCC=CC;JEAAVVKGZYWRRO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240093;MM240093;CC=CCCC(C)(C)C=O;KGOQHCDPEGGLAR-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240094;MM240094;CC=CCCC(C)(C)C#N;FIFXXFHPUYIYQD-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240095;MM240095;C=CC(C)(N)CCC=CC;BADFDRXJZRTUTB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240096;MM240096;C=CC(C)(N)CCC=CF;MOWJFIGOHOTCCN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240097;MM240097;NC1=NC=C(CO)C1=O;UJHSWHZBABJOPC-UHFFFAOYSA-N;126.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240098;MM240098;CC=CCCC(C)(O)C=O;JMRQSSOPAULJLY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240099;MM240099;CC=CCCC(C)(O)C#N;XAKQIJFYJRSIEB-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240100;MM240100;CC(O)(C#N)CCC=CF;RRGOPNXNIHTJOU-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240101;MM240101;C=CC(C)(F)CCC=CC;RSIVKIWFFCEOJG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240102;MM240102;C=CC(C)(F)CCC=CF;NMZYPTJVNQEGEU-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240103;MM240103;CC=CCCC(C)(F)C=O;LEVSQSPMXJYOMQ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240104;MM240104;CC=CCCC(C)(F)C#N;PSTFVJQFGIHUOC-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240105;MM240105;CC(F)(C=O)CCC=CF;GWROTYPBSQFRNI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240106;MM240106;CC(F)(C#N)CCC=CF;JQJGNJOPKASKKB-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240107;MM240107;C=CC(F)(F)CCC=CF;ZQIKKPGPVMJAJD-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240108;MM240108;C=CC(C)(C)CCC=NN;AVLRJNGKPXTNSF-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240109;MM240109;Cn1c(N)ccc1CO;PIVNEHMRRZCACI-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240110;MM240110;CC(C)(C=O)CCC=NO;NDBOYSLZRGTDLK-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240111;MM240111;CC(C)(C#N)CCC=NO;UQIAGWRLSJEQIY-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240112;MM240112;C=CC(C)(N)CCC=NO;CFLXJPYIMBRWQS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240113;MM240113;C=CC(C)(O)CCC=NO;VVNNKDTVPINWNR-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240114;MM240114;CC(O)(C#N)CCC=NO;AVVOEGDKXPXZBE-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240115;MM240115;C=CC(C)(C)CNC=NC;AUJGERWRJGWMDR-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240116;MM240116;C=CC(C)(C)CN=CNN;LPODSUSCESZGHG-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240117;MM240117;C=CC(C)(F)CNC=NC;PWNVJKKRUHQDLM-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240118;MM240118;C=CC(C)(F)CN=CNN;CCKBKSULKILJEM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240119;MM240119;CN=CNCC(C)(F)C=O;MGWFTJNNAUSPAD-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240120;MM240120;CN=CNCC(F)(F)C#N;VUWSGSVYABSBRE-UHFFFAOYSA-N;147.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240121;MM240121;CC=NNCC(C)(C)C=O;FKCHKXTWFWSPPW-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240122;MM240122;CC1=NC=C(CO)C1=O;WIHRYTGONLKXBU-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240123;MM240123;CC1CC1ON=CCO;WHSHOWTUENANQQ-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240124;MM240124;CC(O)C1NC1CC#N;XQZDOHRHPMUJIS-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240125;MM240125;C=CCN1CC1C(C)O;ZWNVNJMLCQISRY-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240126;MM240126;CC(O)C1CN1CC#N;YYXWIHJMISHMNR-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240127;MM240127;C#CCN1CC1C(C)O;PBZWZTJKORSQOB-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240128;MM240128;C=CC(C)(C)COC=CC;RANCHEUVJCHUPR-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240129;MM240129;CC=COCC(C)(C)C=O;WWJDDYIMWBKMSI-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240130;MM240130;CC=COCC(C)(C)C#N;MTABHLKQRSDDDC-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240131;MM240131;CC(C)(C=O)COC=CF;RVBLEPXNEVYXGG-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240132;MM240132;CC(C)(C#N)COC=CF;LQBMDPAUEVPGEQ-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240133;MM240133;C=CC(C)(N)COC=CC;VQDLULAFYQFXKI-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240134;MM240134;C=CC(C)(N)COC=CF;WHDBNBGRBJDECH-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240135;MM240135;C=CC(C)(O)COC=CC;QAUOKRLMIKKYAO-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240136;MM240136;C=CC(C)(O)COC=CF;SVJRNGZKTLUHAH-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240137;MM240137;CC=COCC(C)(O)C=O;JUUHWCYBUDBIRN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240138;MM240138;CC=COCC(C)(O)C#N;NYTMMRQDCVGVAK-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240139;MM240139;C=CC(C)(F)COC=CC;RHLFYHVPPYBDFT-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240140;MM240140;CC=COCC(C)(F)C=O;PCXDVMGGHMDMDR-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240141;MM240141;CC=COCC(C)(F)C#N;IXFZYJRXLYLHJI-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240142;MM240142;CC(F)(C#N)COC=CF;DBJBPOFUURZFTQ-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240143;MM240143;C=CC(F)(F)COC=CC;HXINKYJIBIAPIZ-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240144;MM240144;C=NN(C)C(C=O)CO;HCXQFSGUCFSVNX-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240145;MM240145;C=CC(C)(C)COC=NO;NZWJXOZGYQZHSL-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240146;MM240146;C=CC(C)(N)COC=NO;DNCZAFNYSDHJBN-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240147;MM240147;CC(O)(C=O)COC=NO;YMBLPQIFCVDGDR-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240148;MM240148;CC(O)(C#N)COC=NO;JBBGRMMHNUOEIN-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240149;MM240149;CNC(CO)C(=O)OC;YTQRKMWPXMJMTP-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240150;MM240150;C=CC(C)(F)COC=NO;KQUYBMYOKMOFSA-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240151;MM240151;C=CC(C)(C)CON=CC;POHZLACMRNCDTM-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240152;MM240152;CC=NOCC(C)(C)C=O;IHZUFTYLRVOWBS-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240153;MM240153;CC=NOCC(C)(C)C#N;QJXBFQZNVICJGO-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240154;MM240154;C=CC(C)(N)CON=CC;TYHRPSJRHOXCRG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240155;MM240155;NN=C(COC=O)NO;RZEDOSCYBCNCFU-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240156;MM240156;C=CC(C)(F)CON=CC;YWJOWPGGKOCMEC-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240157;MM240157;CC=NOCC(C)(F)C#N;MROHBRFTBCEFFU-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240158;MM240158;CC=NOCC(F)(F)C#N;HBHIZLUOYIOYAR-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240159;MM240159;C=CC(C)(C)NCC=CC;QAPCBAASHKFAMV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240160;MM240160;C=CC(C)(C)NCC=CF;XGJAAFWPCDWRGU-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240161;MM240161;CC=CCNC(C)(C)C#N;JYBATDUEVDOCKL-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240162;MM240162;CC(C)(C#N)NCC=CF;YEWWASHPVCPGDO-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240163;MM240163;NC=NN=C(C=O)NO;OVCGCQNREATBJR-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240164;MM240164;C=CC(C)(C)OCC=CC;BCMIQERBGHRKSI-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240165;MM240165;C=CC(C)(C)OCC=CF;WCKYFRGABWDJMQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240166;MM240166;CC=CCOC(C)(C)C#N;SPCXDZKTKWNOAJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240167;MM240167;CC(C)(C=O)OCC=CF;VAJAJAOZCJLSBJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240168;MM240168;CC(C)(C#N)OCC=CF;MMCAIUPBFOCXKL-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240169;MM240169;C=CC(C)(C)OCC=NN;NBVWLCBNJLSKGN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240170;MM240170;C=CC(C)(C)OCC=NO;DNRCBAXYAHKDBW-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240171;MM240171;N#CC(C=O)CN1CC1;JKHIQISARGZLGS-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240172;MM240172;C#CC(C)(C)CCC=CC;VBMVWPVOGQJISS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240173;MM240173;C#CC(C)(N)CCC=CC;VBHNCXPFYJVPCA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240174;MM240174;C#CC(C)(N)CCC=CF;TYLFWERXNHZVON-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240175;MM240175;C#CC(C)(O)CCC=CC;LLZACJXKQQBLDZ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240176;MM240176;C#CC(C)(F)CCC=CC;WIBCONNDCKZDKB-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240177;MM240177;C#CC(F)(F)CCC=CC;DPFNPKZMWKISNM-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240178;MM240178;C#CC(C)(C)CCC=NN;NOKUSQNOPFEXLH-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240179;MM240179;C#CC(C)(C)CCC=NO;NMQABGCIRVXOKU-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240180;MM240180;C#CC(C)(F)CCC=NN;NUXAVQDSRDVBFO-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240181;MM240181;C#CC(C)(C)CN=CNN;KGMTXITYSXNERU-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240182;MM240182;C#CC(C)(F)CNN=CC;ICEOJGURYRYNFN-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240183;MM240183;C#CC(C)(C)COC=CC;NKPVTFMMCBCITL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240184;MM240184;C#CC(C)(N)COC=CC;PKYQOGWKVIXKBC-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240185;MM240185;C#CC(C)(N)COC=CF;IAFGMDVSJZGGIK-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240186;MM240186;C#CC(C)(O)COC=CC;MAKIRPPKUFRAAS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240187;MM240187;C#CC(C)(O)COC=CF;YTYTWQRHZYELFV-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240188;MM240188;C#CC(C)(F)COC=CF;OJAPLFIJDVYCOW-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240189;MM240189;CCN(O)C=NN1CC1;QJYDIQMMCNMEQK-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240190;MM240190;C#CC(C)(C)COC=NO;CKIWHAYYQMODOI-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240191;MM240191;COCCON=CCO;MITUFALMYBUCES-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240192;MM240192;C#CC(C)(F)COC=NO;KHYAJNOHWLYELE-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240193;MM240193;C#CC(C)(C)CON=CC;GPLBQKXOKGMYCI-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240194;MM240194;C#CC(C)(F)CON=CC;CZXSOOLLQCMYIW-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240195;MM240195;C#CC(F)(F)CON=CC;XAVLUVTWJDMKMD-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240196;MM240196;C#CC(C)(C)NCC=CC;FQNVMWSCYYMEMZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240197;MM240197;C#CC(C)(C)OCC=CC;KJBSRGOSCQDLML-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240198;MM240198;C#CC(C)(C)OCC=CF;QAAITVLXEOJIBS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240199;MM240199;C#CC(C)(C)OCC=NN;NTOARZXEMCBCNU-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240200;MM240200;C#CC(C)(C)ON=CNN;FWPHEZDEXRBVHX-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240201;MM240201;CCOCON=CCO;AEBDHFCAVZUNOK-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240202;MM240202;CC#CCCC(C)(C)CC;BGLKDYXXTZSHQI-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240203;MM240203;CC#CCCC(C)(C)CN;QVRXYSMPMHNYCO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240204;MM240204;N#CCCON=CCO;ISGNHAKCSBTJBA-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240205;MM240205;CC#CCCC(C)(N)CC;WQCGSCAVRRMWIH-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240206;MM240206;CC#CCCC(C)(N)CN;YHTNBEAYVJJOKB-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240207;MM240207;CC#CCCC(C)(N)CF;NOFDHVZCOXCGNB-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240208;MM240208;O=COCON=CCO;RYYOQORVZWHIHI-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240209;MM240209;CC#CCCC(C)(O)CN;YTLWJIUFNFYCLR-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240210;MM240210;CC#CCCC(C)(O)CF;VFIODABWLZCQGX-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240211;MM240211;CC#CCCC(C)(F)CC;LVAQIHAERYLANY-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240212;MM240212;CC#CCCC(C)(F)CN;WCGSCZPTRNPBAV-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240213;MM240213;CC#CCCC(C)(F)CO;GGROJQTXDSKHQD-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240214;MM240214;CC#CCCC(F)(F)CC;UEYRFNOPIZJFJY-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240215;MM240215;CC#CCCC(C)(C)NC;ZHVNPWSTBSTZCG-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240216;MM240216;CC#CCCC(C)(C)OC;ODIXTRUZVOINSY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240217;MM240217;CC#CCNC(C)(C)CC;IRFZLZQPMKWYII-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240218;MM240218;CC#CCNC(C)(C)CN;OBSVAYIGIZDIRU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240219;MM240219;CC#CCNC(C)(C)CO;JOLUDLJXCJYYJO-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240220;MM240220;CC#CCOC(C)(C)CC;CJSHIWQDKVIMRS-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240221;MM240221;CC#CCOC(C)(C)CN;ROCLCAIZDGKECR-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240222;MM240222;CC#CCOC(C)(C)CO;JXWCUTORKIIODQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240223;MM240223;CC#CCOC(C)(C)CF;PGROCVCHLZTRTQ-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240224;MM240224;CC#CCOC(C)(C)OC;QEDAEBBKXTXUOP-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240225;MM240225;C=CC(C)(C)CCC#CC;SRACGLNEFIEPSH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240226;MM240226;CC#CCCC(C)(C)C=O;JSKXNFHDKAXYPF-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240227;MM240227;CC#CCCC(C)(C)C#N;RQPZVYMLQMTNNL-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240228;MM240228;C=CC(C)(N)CCC#CC;JWTOLYAIIKAEBM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240229;MM240229;C=NOCON=CCO;APYKXFXOTLXSMR-UHFFFAOYSA-N;132.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240230;MM240230;CC#CCCC(C)(O)C=O;CAAHHVIVRYALSA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240231;MM240231;CC#CCCC(C)(O)C#N;PIONJGKKKVGOQU-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240232;MM240232;C=CC(C)(F)CCC#CC;PDSMXQDXMGEQDY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240233;MM240233;CC#CCCC(C)(F)C=O;FWIUPYHQNYHYON-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240234;MM240234;C=CC(F)(F)CCC#CC;BZRIPXWUFJJCRP-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240235;MM240235;C=CC(C)(C)NCC#CC;AWJJBBZSKKSYQB-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240236;MM240236;CC#CCNC(C)(C)C#N;UELLMPIXUHLZAE-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240237;MM240237;C=CC(C)(C)OCC#CC;ZJQKAABTUWVNGQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240238;MM240238;CC#CCOC(C)(C)C=O;NRJAZOOCVGARBT-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240239;MM240239;CC#CCOC(C)(C)C#N;GBJJEXWECZWFRS-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240240;MM240240;C#CC(C)(C)CCC#CC;HIURVBXFIXTVTM-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240241;MM240241;C#CC(C)(N)CCC#CC;ZITQXKXYNCLMPB-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240242;MM240242;C#CC(C)(O)CCC#CC;SVZYKAPLZQNOCP-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240243;MM240243;C#CC(C)(F)CCC#CC;WATXKSUPXPEDOU-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240244;MM240244;C#CC(C)(C)OCC#CC;GMEXQTCBISLHNZ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240245;MM240245;CCC=CCC(C)(C)CC;HYBSDQQTZKPDHD-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240246;MM240246;CCC(C)(C)CC=CCN;LNCIJIDAOYYKFR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240247;MM240247;CCC(C)(C)CC=CCO;DLOQESORYJZOIC-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240248;MM240248;CCC(C)(C)CC=CCF;CEWIRBNGZJJMGB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240249;MM240249;CCC=CCC(C)(C)CN;IFYHCXBXWXFXHQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240250;MM240250;CC(C)(CN)CC=CCN;DSQACHVWHDVHOE-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240251;MM240251;CC(C)(CN)CC=CCO;KUQDTMFWZVXRKE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240252;MM240252;CC(C)(CN)CC=CCF;WJAXMNDKMAJZRU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240253;MM240253;CC=CCON=CCO;KJLSBVNCVQJNRC-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240254;MM240254;CC(C)(CO)CC=CCN;YROAIMAWMKHEMQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240255;MM240255;CC(C)(CO)CC=CCO;ZECDBWHBGGWLOL-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240256;MM240256;CCC=CCC(C)(C)CF;VBJZLNKPQJLMLW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240257;MM240257;CC(C)(CF)CC=CCN;DQWXRVDWMQIFRE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240258;MM240258;CC(C)(CF)CC=CCO;AOQHRQUNZOMKSL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240259;MM240259;CC(C)(CF)CC=CCF;NPFAXTIXSXEMGT-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240260;MM240260;CCC=CCC(C)(N)CC;QMQQJBVOHSTECP-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240261;MM240261;CCC(C)(N)CC=CCN;WKKUSIGNICXNSD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240262;MM240262;CCC(C)(N)CC=CCO;FLPBNBCZCSIHNP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240263;MM240263;CCC(C)(N)CC=CCF;LBTSGPHKCPMJFQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240264;MM240264;CCC=CCC(C)(N)CN;QYVULMREWSQQNB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240265;MM240265;CCC=CCC(C)(N)CO;JIZXEPHYIUTZBS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240266;MM240266;CC(N)(CO)CC=CCN;WROUVVNKJIYIAG-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240267;MM240267;CCC=CCC(C)(N)CF;DSKVBPWAPIPDST-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240268;MM240268;CC(N)(CF)CC=CCF;NOXAMKPLOJJYCZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240269;MM240269;NN=CCON=CCO;LWXGQJJHXYXGEO-UHFFFAOYSA-N;131.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240270;MM240270;CCC(C)(O)CC=CCN;GVKILKPLGGOECG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240271;MM240271;CC#CCON=CCO;ZZFARWSRQZCWIS-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240272;MM240272;CC(O)(CN)CC=CCN;QPYLJWUPTNPLKU-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240273;MM240273;CC(O)(CO)CC=CCO;QVVZZFYFJWEGQB-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240274;MM240274;CC(O)(CO)CC=CCF;NJMDHJNRVAMZSF-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240275;MM240275;CCC=CCC(C)(O)CF;DNACKJYBHPNJFZ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240276;MM240276;CC(O)(CF)CC=CCF;UPBYABCZFUDOBT-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240277;MM240277;CCC(C)(F)CC=CCN;NIYVOADTBXMGAU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240278;MM240278;CCC(C)(F)CC=CCO;UKHPJNRPJBFKNA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240279;MM240279;CC(F)(CN)CC=CCN;RMQOOBZOOFZDCF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240280;MM240280;CC(F)(CN)CC=CCF;IYTCSBHBAXQQDK-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240281;MM240281;CCC=CCC(C)(F)CO;FUJWQJNXAJHUDQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240282;MM240282;CC(F)(CO)CC=CCF;NFQBXGJRWKFTRK-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240283;MM240283;CCC=CCC(C)(F)CF;NBGCVUOAOFKHAT-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240284;MM240284;CC(F)(CF)CC=CCO;GYBXWDAZNODRLP-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240285;MM240285;CC(F)(CF)CC=CCF;NQMLFFJIKLCVFW-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240286;MM240286;CCC(F)(F)CC=CCN;BIPRJEPYOVGODS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240287;MM240287;CCC(F)(F)CC=CCO;ZHBJLXZLTQAZIG-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240288;MM240288;CCC(F)(F)CC=CCF;LRIYXPPGGRHILR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240289;MM240289;CCC(C)(C)CC=COC;YUIPJZYGWGYNCW-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240290;MM240290;COC=CCC(C)(C)CN;YLCHYMWTUZKEBA-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240291;MM240291;COC=CCC(C)(C)CF;UVTAGUAUSBXPNA-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240292;MM240292;CCC(C)(N)CC=COC;XZQWPTHKUAKLDK-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240293;MM240293;COC=CCC(C)(N)CN;VZMYSBRCBCNMFJ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240294;MM240294;COC=CCC(C)(N)CO;JREFAGYKPFXMDA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240295;MM240295;COC=CCC(C)(N)CF;UVNBQBCYIDPAOQ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240296;MM240296;CCC(C)(O)CC=COC;GISRBKLDBAAZDD-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240297;MM240297;COC=CCC(C)(O)CN;NDMQCLNVEFRDLA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240298;MM240298;COC=CCC(C)(O)CF;BPRSBIKBPRAAFS-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240299;MM240299;COC=CCC(C)(F)CO;DPMRRKUYGVJQKS-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240300;MM240300;COC=CCC(F)(F)CO;FJIGHXLVMKJQID-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240301;MM240301;CCC=CCC(C)(C)NC;UYVLSYWIGIJBHH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240302;MM240302;CNC(C)(C)CC=CCN;FKYVZIKHFHECIS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240303;MM240303;CNC(C)(C)CC=CCO;GOAVLSSQTGEAQV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240304;MM240304;CNC(C)(C)CC=COC;PFYBZMOVDLMKSU-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240305;MM240305;CCC=CCC(C)(C)OC;WYAOFRSZLBSKIM-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240306;MM240306;COC(C)(C)CC=CCN;YKLLCYDZFHNGMR-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240307;MM240307;COC(C)(C)CC=CCF;UNBOUNAKVUYCPD-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240308;MM240308;COC=CCC(C)(C)OC;BQACQULKUVSJFP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240309;MM240309;CCC(C)(C)CC=NNC;IUVDMRJGEICGOK-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240310;MM240310;CNN=CCC(C)(C)CN;MJLZGBHFMLJMFN-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240311;MM240311;CC(C)(O)C=C(F)C=NN;FSOMGSVTFZKQRQ-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240312;MM240312;CNN=CCC(C)(C)CF;QDGJCYDJJAJVSH-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240313;MM240313;CCC(C)(N)CC=NNC;WDNKISYBSNFVGB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240314;MM240314;CNN=CCC(C)(N)CN;SVLMFLMGJGNZCV-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240315;MM240315;CC(C)(C)CON=CCO;QXCGRFUBCGXOJZ-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240316;MM240316;CCC(C)(C)CC=NOC;PYPASOCFNGMTOW-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240317;MM240317;CON=CCC(C)(C)CN;ZNEYUVRQHLBDSY-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240318;MM240318;CC(F)(F)CON=CCO;LCKPAAHMAIENRQ-UHFFFAOYSA-N;153.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240319;MM240319;CON=CCC(C)(C)CF;DIICWNUDYHUECG-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240320;MM240320;CCC(C)(N)CC=NOC;MHKJIOQBYBWKFO-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240321;MM240321;CON=CCC(C)(N)CO;STPRJDJZDOJSJW-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240322;MM240322;CC(=NN)C(C)(C)C(C)O;OEJIQPWPVUEORG-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240323;MM240323;CON=CCC(C)(O)CN;WDRFTIOLALYEHU-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240324;MM240324;CCC(C)(F)CC=NOC;FLWJJXQYPPYBAG-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240325;MM240325;CON=CCC(C)(F)CF;KVOJNEGGRGAYIK-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240326;MM240326;C=NN=CN(O)CC(=C)F;VSOBHKRDTSVOAI-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240327;MM240327;CNN=CCC(C)(C)NC;VBKSNDZTABXIIG-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240328;MM240328;CNC(C)(C)CC=NOC;ASUFIIYIPQPXFK-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240329;MM240329;CNN=CCC(C)(C)OC;BFRIUIPSBBQHMF-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240330;MM240330;CON=CCC(C)(C)OC;OFCQVHGPLLENSA-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240331;MM240331;CCN=CNC(C)(C)CC;UEAOTAQXTYMDOE-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240332;MM240332;CCN=CNC(C)(C)CF;KEQRFVVWPAFRCD-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240333;MM240333;CCC(C)(C)N=CNNC;ILJATSTZYYLNID-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240334;MM240334;CCC=NNC(C)(C)CC;NNHAUWLHHYFMCI-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240335;MM240335;CCC(C)(C)ON=CCO;COAHEYNXIIJIRI-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240336;MM240336;CCC=NNC(C)(C)CN;ZBTQFBLGLGEHBT-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240337;MM240337;C=CC(C)(C)ON=CCO;ZNBCNLGZXZWGDR-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240338;MM240338;CCC=NNC(C)(C)CF;QUVIHSRKGIRJKM-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240339;MM240339;CCC=COC(C)(C)CC;VJIRGJHGEUYQSM-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240340;MM240340;CCC(C)(C)OC=CCN;PZRCOUZMVSWGSU-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240341;MM240341;CCC(C)(C)OC=CCO;AIFYMFRYODHERW-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240342;MM240342;CCC=COC(C)(C)CN;XMDWSTOVZWAKNF-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240343;MM240343;CC(C)(CN)OC=CCF;RKVRNAUAAZFVGI-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240344;MM240344;CCC=COC(C)(C)CO;HYTOJFIQLGAOHJ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240345;MM240345;CC(C)(CO)OC=CCF;PHJUICQSRATCTD-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240346;MM240346;CCC(C)(C)OC=COC;WRUMWLNZLKAJEY-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240347;MM240347;COC=COC(C)(C)CF;GYOSYMZJDUQWCO-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240348;MM240348;CCC=COC(C)(C)OC;HMUODHVAQCUGOP-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240349;MM240349;COC(C)(C)OC=CCF;VHVALNPVZSZJPB-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240350;MM240350;CC(C)(C=O)ON=CCO;UZJISXADWQQCJA-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240351;MM240351;CCC(C)(C)OC=NOC;WUAPSSFOMLSKCA-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240352;MM240352;CCC=NOC(C)(C)CC;IEQUUNGLLYEIMZ-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240353;MM240353;CCC(C)(C)ON=CCN;BXRCGVUXPQLMFO-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240354;MM240354;N#CC(F)(CC=O)C(=N)N;MYCWWVKMIIRBHX-UHFFFAOYSA-N;143.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240355;MM240355;CCC=NOC(C)(C)CN;UJDYLSCURORFBU-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240356;MM240356;CC(C)(CN)ON=CCO;ZXOIRWXQXWHUIN-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240357;MM240357;CC(=NC(=O)CN)N(C)O;PNQFWGCKMJQHEU-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240358;MM240358;CC(C)(CF)ON=CCN;VZYCDAJEUSWYLE-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240359;MM240359;C=C(F)CCN(O)C=NN;JWDGKGGTWJAXCC-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240360;MM240360;CCC(C)(C)ON=COC;GJIOXUQWMLXPTH-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240361;MM240361;C=CC=CCC(C)(C)CC;LLQWVZNJMAGHGL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240362;MM240362;CCC(C)(C)CC=CC=O;UDVGMTHVCHGBFO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240363;MM240363;CCC(C)(C)CC=CC#N;QFJNZQKPNRCVLN-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240364;MM240364;C=CC=CCC(C)(C)CN;UVIGLQXNCILQJS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240365;MM240365;CC#CC1(C)CN(O)C=N1;JNAUFJGHPOYSTK-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240366;MM240366;CC(CF)CN(O)C=NN;DSWKMOCGDSHVTG-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240367;MM240367;C=CC=CCC(C)(C)CF;PTXRPXXKPJNWHM-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240368;MM240368;CC(C)(CF)CC=CC=O;AHJUJJYPSXXREW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240369;MM240369;CC(C)(CF)CC=CC#N;RDBJCPPZNKLCJE-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240370;MM240370;C=CC=CCC(C)(N)CC;VUQWTUWUXWTUMB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240371;MM240371;C=CC=CCC(C)(N)CF;SWLBVBCCRDRYNG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240372;MM240372;CCC(O)C=C(C)C=NN;WUMZTSPSDRAXEC-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240373;MM240373;C#CCC(=NN)OC(N)=O;LVSSDAMLLQBBDA-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240374;MM240374;CC(F)=CC(=NN)N(C)O;LWXQUSJVOYAQAS-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240375;MM240375;C=CC=CCC(C)(F)CC;DIQZNUZSEHUDIX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240376;MM240376;CCC(C)(F)CC=CC=O;DJSGOMMZFXYPTC-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240377;MM240377;CCC(C)(F)CC=CC#N;AVCGPDVHGPWPBR-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240378;MM240378;C=CC=CCC(C)(F)CN;XYSIHZWYKNYPAG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240379;MM240379;C=CC=CCC(C)(F)CO;DVCLMXJAEKQSGP-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240380;MM240380;CC(F)(CO)CC=CC=O;KLYOOGYDGIYKJH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240381;MM240381;C=CC=CCC(C)(F)CF;MDGLRKGMUWGXOG-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240382;MM240382;CCC(F)(F)CC=CC=O;YBWRBVKALKPMDO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240383;MM240383;CCC(F)(F)CC=CC#N;CXLJUPKTRCPTIB-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240384;MM240384;C=CC=CCC(C)(C)NC;YCSULIYNKYBOSA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240385;MM240385;CNC(C)(C)CC=CC#N;DALYGGBOKAFCTG-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240386;MM240386;C=CC=CCC(C)(C)OC;HELRVJPKMKLBNM-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240387;MM240387;COC(C)(C)CC=CC=O;HNOLRXSANWFZBV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240388;MM240388;COC(C)(C)CC=CC#N;OKFPGNGNVQQNCG-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240389;MM240389;C=NN=CCC(C)(C)CC;RAJHZPCAYRSSRH-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240390;MM240390;C=NN=CCC(C)(C)CN;ATCRYVZGUMOTCH-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240391;MM240391;C=NN=CCC(C)(N)CC;IMJQYEDZYLASJD-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240392;MM240392;C=NN=CCC(C)(N)CF;WPXGBBVNPUJEQT-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240393;MM240393;C=NN=CCC(C)(O)CC;AKWHXONQWLESMD-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240394;MM240394;C=NN=CCC(C)(F)CC;PLOUSGBFGMUFOA-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240395;MM240395;C=NN=CCC(C)(F)CN;KWDWEQBVDJOMHU-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240396;MM240396;C=NN=CCC(C)(F)CO;VRZNDXDEGXGAPY-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240397;MM240397;C=NN=CCC(C)(F)CF;IBBNPSQYHFNRTO-UHFFFAOYSA-N;148.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240398;MM240398;C=NN=CCC(C)(C)OC;HZCYPGPNCIPSRO-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240399;MM240399;CCC(C)(C)NC=CC=O;SPTDVRCNQZZLCY-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240400;MM240400;CCC(C)(C)NC=CC#N;MUSNRANJNQEAHB-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240401;MM240401;CC(C)(CO)NC=CC=O;XRLSZZWHNJZATB-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240402;MM240402;CC(C)(CF)NC=CC=O;CCCALIDCDDVVFU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240403;MM240403;CC(C)(CF)NC=CC#N;ZDHFNLQCVLCEJE-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240404;MM240404;CCC(C)(C)N=CNC=N;NTPFUZRBASHPJK-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240405;MM240405;CCC(C)(C)N=CNC=O;QZNOBOGBWIHKCR-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240406;MM240406;CC(C)(CN)N=CNC=O;GTDUAPOZOPAZLA-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240407;MM240407;CC(C)(CF)N=CNC=N;DJYWRARBUZBMHT-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240408;MM240408;CC(C)(CF)N=CNC=O;BLCCGSKZPCXCCB-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240409;MM240409;CN(O)C(C=C(N)N)=NN;RLGXFGPZGCYJMT-UHFFFAOYSA-N;145.17;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240410;MM240410;CN(O)C(C=C(F)F)=NN;DIOJNRYMEIUSIB-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240411;MM240411;CC(C)CCON=CCO;WDVOQZQYUPBWCR-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240412;MM240412;C=CC=NNC(C)(C)CC;JCDVSLFWNYCLPI-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240413;MM240413;CC(=O)CCON=CCO;SZZHWCRWBGLIAY-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240414;MM240414;CCC(C)(C)NN=CC#N;MJHAYTJGECKTKM-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240415;MM240415;C=C(F)CCON=CCO;MULWOUISXCODFB-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240416;MM240416;CC(=O)OCON=CCO;PTTLVTXTJDJAEK-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240417;MM240417;CC(C)(CF)NN=CC#N;DHCKRTMGHDSPKG-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240418;MM240418;C=CC=COC(C)(C)CC;QNUMWZNEQHPGGK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240419;MM240419;CCC(C)(C)OC=CC=O;DGBWOQULHREGQD-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240420;MM240420;CCC(C)(C)OC=CC#N;ZCYUZVFTVQIILH-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240421;MM240421;C=CC=COC(C)(C)CN;FZLYSDGZUVYHLG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240422;MM240422;CC(C)(CF)OC=CC=O;VEQFMMFWBUGSGE-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240423;MM240423;C=CC=COC(C)(C)OC;GNHUJLWOOKZXQO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240424;MM240424;COC(C)(C)OC=CC=O;AGLBFHOZNLNIFR-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240425;MM240425;C=NN=COC(C)(C)CC;LNHBEMSRPGZHKV-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240426;MM240426;C=NN=COC(C)(C)CF;WIVCRFOLTSHBAV-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240427;MM240427;C=CC=NOC(C)(C)CC;WBQWYEZARYUSKQ-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240428;MM240428;CCC(C)(C)ON=CC=O;YBHCULNPTRAIDT-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240429;MM240429;CCC(C)(C)ON=CC#N;YFDBVTMRQMJMEI-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240430;MM240430;C=CC=NOC(C)(C)CN;LJOPDIRSDGEHDR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240431;MM240431;CN(C)N=CON=CCO;FLNRTQBUVRWYCJ-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240432;MM240432;CC(C)(CF)ON=CC#N;DWRVNFYWWYODIZ-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240433;MM240433;C=CC=NOC(C)(C)OC;FGYXLJTXEUIACZ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240434;MM240434;C#CC=CCC(C)(C)CC;HGNYGWYQLVTQMG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240435;MM240435;C#CC=CCC(C)(C)CN;FABBESZGNJGKHW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240436;MM240436;CC(F)=CCON=CCO;NSKNNPDXIHZOHH-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240437;MM240437;C#CC=CCC(C)(C)CF;ONXOEEJSJXMXNX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240438;MM240438;C#CC=CCC(C)(N)CC;CHHVGFGDRZFAKY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240439;MM240439;C#CC=CCC(C)(N)CN;FFZQPAUTVLAFTG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240440;MM240440;C=COC(C)ON=CCO;BHCMECGCEHWPKO-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240441;MM240441;C#CC=CCC(C)(O)CN;UTSIJPSXXVTCDU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240442;MM240442;C#CC=CCC(C)(O)CO;KCTXAOCPVLWORG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240443;MM240443;C#CC=CCC(C)(O)CF;LJOCMHDPDHKKHK-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240444;MM240444;C#CC=CCC(C)(F)CC;VBFMPNQDWMYDNQ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240445;MM240445;C#CC=CCC(C)(F)CF;PAFPQWAQOIOWFJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240446;MM240446;C#CC=CCC(F)(F)CC;CLUNXKHLNZCHRZ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240447;MM240447;C#CC=CCC(C)(C)NC;MBCSHNBGUAQDFJ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240448;MM240448;C#CC=CCC(C)(C)OC;XJAOOYGBNMPZMX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240449;MM240449;C#CC=NNC(C)(C)CC;OVXJWVODJOLCLT-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240450;MM240450;C#CC=NNC(C)(C)CF;OUCNGPPWBYSNPK-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240451;MM240451;C#CC=COC(C)(C)CC;YHHZWDHWEFEHRU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240452;MM240452;C#CC=COC(C)(C)CN;XMQYVFRVKZWSFX-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240453;MM240453;C#CC=COC(C)(C)CO;MZNQSSYRRCTQPQ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240454;MM240454;C#CC=COC(C)(C)CF;ANFBVHWSMLGIPS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240455;MM240455;C#CC=NOC(C)(C)CC;FTDHOVBVOXNGAH-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240456;MM240456;C#CC=NOC(C)(C)CN;CADHSZMASZSPRP-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240457;MM240457;C#CC=NOC(C)(C)CF;WSEGSSMRRKDMCO-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240458;MM240458;C#CC=NOC(C)(C)OC;BOJQZXTYNANMPU-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240459;MM240459;C=CC(C)(C)CC=CCC;RCJLDEUVUXBXHO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240460;MM240460;C=CC(C)(C)CC=CCN;KUXVINYRCWLUMH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240461;MM240461;C=CC(C)(C)CC=CCO;HYAHGHNQPSRKDN-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240462;MM240462;C=CC(C)(C)CC=CCF;GRDNCQMHXOCRLM-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240463;MM240463;CCC=CCC(C)(C)C=O;RNRXOJVNGVIIBM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240464;MM240464;CC(C)(C=O)CC=CCO;LAPYJWTUWWILFY-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240465;MM240465;CC(C)(C#N)CC=CCO;ZLTSCOJASNXHJH-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240466;MM240466;CC(C)(C=O)CC=CCF;WKPDQXVMVRSNHE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240467;MM240467;CC(C)(C#N)CC=CCF;ISNPMWCNLZCIOF-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240468;MM240468;C=CC(C)(N)CC=CCC;BOVMNPKLUOXQBG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240469;MM240469;C=CC(C)(N)CC=CCN;LZKGIQHHZQMXRY-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240470;MM240470;C=CC(C)(N)CC=CCO;YBQCMWLLTNVUEX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240471;MM240471;C=CC(C)(N)CC=CCF;MOYRJNPXVSFQSF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240472;MM240472;CC(OC=O)ON=CCO;UUSNLKQKMBWDJC-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240473;MM240473;C=CC(C)(O)CC=CCN;DSEGQDXXEBFMOK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240474;MM240474;C=CC(C)(O)CC=CCO;SQUIMXRBWVTTKV-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240475;MM240475;CCCC(=O)ON=CCO;LTEMXKRAOKQJON-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240476;MM240476;CCC=CCC(C)(O)C=O;ZEBQRGHORQTUJE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240477;MM240477;CCC=CCC(C)(O)C#N;WHYLYXQCBXKYMF-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240478;MM240478;CC(O)(C=O)CC=CCO;KJTRWAAQERADET-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240479;MM240479;CC(O)(C#N)CC=CCF;VQMHXQSYOPGAGS-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240480;MM240480;C=CC(C)(F)CC=CCC;MEKQGJQTRVLGOX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240481;MM240481;C=CC(C)(F)CC=CCN;UABQDZVYGFKFSA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240482;MM240482;C=CC(C)(F)CC=CCO;CHIRLFUJORSVOW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240483;MM240483;C=CC(C)(F)CC=CCF;PUPJFXCTGDHJTG-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240484;MM240484;CCC=CCC(C)(F)C=O;AGYHFAVRRFJJKB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240485;MM240485;CC(F)(C#N)CC=CCO;DDXJWTWITULCJF-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240486;MM240486;CC(F)(C=O)CC=CCF;GFKBKWCHVLVPJA-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240487;MM240487;CC(F)(C#N)CC=CCF;MJKMCFNQXFWPNR-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240488;MM240488;C=CC(F)(F)CC=CCN;PHXHVYFMLNDUBT-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240489;MM240489;C=CC(C)(C)CC=COC;GVKPUAXUPCINCW-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240490;MM240490;COC=CCC(C)(C)C=O;CPRZQMKRLIFYKT-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240491;MM240491;COC=CCC(C)(C)C#N;FCJLIXDXFVBZSW-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240492;MM240492;C=CC(C)(N)CC=COC;QLMWWWQHEZKZCP-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240493;MM240493;C=CC(C)(O)CC=COC;LEDJXLNEWCEZKT-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240494;MM240494;COC=CCC(C)(O)C#N;CJSDPODUOVHSRR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240495;MM240495;COC=CCC(C)(F)C=O;NWYGJRFMFLAPIJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240496;MM240496;C=CC(F)(F)CC=COC;XBVVTZXRVLIXOV-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240497;MM240497;C=CC(C)(C)CC=NNC;TWWNLFMSGCTWPP-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240498;MM240498;CNN=CCC(C)(C)C=O;SPGNQCQHDBCRKP-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240499;MM240499;CNN=CCC(C)(C)C#N;QVKJFFYUAVFMJO-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240500;MM240500;C=CC(C)(N)CC=NNC;JSAJDYPDZRRHLU-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240501;MM240501;CONC(=N)ON=CCO;FXDCDOUZMYLQFB-UHFFFAOYSA-N;147.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240502;MM240502;NC(CC=O)=NN=CCO;WUNMBIFHVFEJNJ-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240503;MM240503;CNN=CCC(C)(F)C#N;IYJGBCJQHJJJBY-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240504;MM240504;CC(C=NN)ON=CCO;UDXZSPUHYRYWRG-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240505;MM240505;C=CC(C)(C)CC=NOC;QXGOPXKJRDLCCL-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240506;MM240506;CON=CCC(C)(C)C=O;WNFRLFZNHNJGCW-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240507;MM240507;CON=CCC(C)(C)C#N;NQXRRFDUHIHYMT-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240508;MM240508;C=CC(C)(N)CC=NOC;LNROLNVLEPQQAB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240509;MM240509;CC#CC(C)ON=CCO;ZYLGUXNHUQRFTA-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240510;MM240510;CNN=C(C)ON=CCO;HKALGTBUSNJOIX-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240511;MM240511;C=NN=C(C)ON=CCO;AZYOEVORRLFMKS-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240512;MM240512;C=CC(C)(F)CC=NOC;RSYRZBRHKFEVDL-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240513;MM240513;CON=CCC(C)(F)C#N;TXUDPSAFWLXNDN-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240514;MM240514;C=CC(C)(C)NC=NCC;FQOCKUADUZCTCK-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240515;MM240515;CCN=CNC(C)(C)C=O;NPHBTQIATNQVDC-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240516;MM240516;C=CC(C)(C)NC=NOC;KATQRSRSOASURD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240517;MM240517;C=CC(C)(C)NN=CCC;FVAJEFUZADIAQI-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240518;MM240518;CCC=NNC(C)(C)C=O;ZADNYJGCQRZJNC-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240519;MM240519;CCC(=NN)C(=N)N(C)O;MRBVHPQRVIOXNO-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240520;MM240520;C=CC(C)(C)OC=CCC;MGXDDWUAEVVXSH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240521;MM240521;C=CC(C)(C)OC=CCN;YXUGDXOOCGDRMQ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240522;MM240522;C=CC(C)(C)OC=CCO;SFIHAKADALRNBZ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240523;MM240523;C=CC(C)(C)OC=CCF;MOJDORSDADTSCY-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240524;MM240524;CCC=COC(C)(C)C=O;WPYLHYQQWSCVPV-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240525;MM240525;CCC=COC(C)(C)C#N;NYHILDMPJBPQMK-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240526;MM240526;CC(C)(C=O)OC=CCF;RBGJUCVWISHMSZ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240527;MM240527;CC(C)(C#N)OC=CCF;RGDIVFPSEPFJSZ-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240528;MM240528;C=CC(C)(C)OC=COC;HHFUFVSEAIHWPF-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240529;MM240529;COC=COC(C)(C)C#N;SLEDINDHFIRWFN-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240530;MM240530;CCC=NNC(C)C(C)O;RBHFQLUUHFOSKP-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240531;MM240531;C=CC(C)(C)OC=NOC;QJJJQDRCCXYHOM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240532;MM240532;C=CC(C)(C)ON=CCC;LCDLOBSTAVECEO-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240533;MM240533;C=CC(C)(C)ON=CCN;YKLKIWNSUKRSFS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240534;MM240534;CC(ON=CCO)C(F)F;YYZMHWNSDJJIJD-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240535;MM240535;C=CC=NNC(C)C(C)O;PMYKQNCWXOXRRE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240536;MM240536;CCC=NOC(C)(C)C#N;FJMIEWCNFSELIV-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240537;MM240537;CC(=O)C(C)ON=CCO;ACDSNPUBKBVFGO-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240538;MM240538;C=CC(C)(C)ON=COC;HUPXCPIQLTXXLA-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240539;MM240539;COC=NOC(C)(C)C=O;VFPYZUDBXGHDDI-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240540;MM240540;C=CC=CCC(C)(C)C=C;MURLCIVBIOWNTD-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240541;MM240541;C=CC(C)(C)CC=CC=O;FVZBQTLBWJXCTQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240542;MM240542;C=CC(C)(C)CC=CC#N;OQVRNAOXXHPBAQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240543;MM240543;C=CC=CCC(C)(C)C=O;WWHAJSAFOVUSCC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240544;MM240544;C=CC=CCC(C)(C)C#N;RXPPUVDXLLXGDX-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240545;MM240545;CC(C)(C=O)CC=CC=O;QQSOEOWNFPKLJV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240546;MM240546;CC(C)(C=O)CC=CC#N;OZZAMBFQUALXKW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240547;MM240547;CC(C)(C#N)CC=CC=O;MIYBFJHHHUZQQJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240548;MM240548;C=CC=CCC(C)(N)C=C;OZWJJXHMYACPCC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240549;MM240549;CON=C(C)C(=N)N(C)O;BMPYEPSQOUKFTQ-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240550;MM240550;CCN=C(CC#N)N(C)O;GSMMRDPALVZLRS-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240551;MM240551;CN(O)C(C=NN)=NC=N;FVTUBHLGYSHTOY-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240552;MM240552;C=CC=CCC(C)(O)C#N;IHXGWAADCYWMQD-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240553;MM240553;CC(O)(C=O)CC=CC#N;XEXYAPFVTZYSMU-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240554;MM240554;C=CC=CCC(C)(F)C=C;JTNVANKZTIGKMV-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240555;MM240555;C=CC(C)(F)CC=CC=O;GCSOGHZXSDZCAN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240556;MM240556;C=CC(C)(F)CC=CC#N;CWWRZFDFWWOOCH-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240557;MM240557;C=CC=CCC(C)(F)C=O;ZPJIUUQHEHUGMN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240558;MM240558;C=CC=CCC(C)(F)C#N;DBNBUBSBZRSAGU-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240559;MM240559;CC(F)(C#N)CC=CC=O;AOBLGMSDTSORRK-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240560;MM240560;C=CC(F)(F)CC=CC=O;VBUDYMHQBPYKAP-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240561;MM240561;C=NN=CCC(C)(C)C=O;OQAUKTXLEUBEPW-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240562;MM240562;C=NN=CCC(C)(C)C#N;JEADADOPIJUGND-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240563;MM240563;C=CC(C)(N)CC=NN=C;BJVTVNVGHMJPQL-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240564;MM240564;C=CC(C)(O)CC=NN=C;KQYSNFORKLFWHI-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240565;MM240565;C=NN=CCC(C)(O)C=O;ZLTGMSNZERHDFR-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240566;MM240566;C=NN=CCC(C)(O)C#N;SVMADDXYUJUANH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240567;MM240567;C=NN=CCC(C)(F)C=O;RIWJKLBJDJTOCF-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240568;MM240568;C=CC(C)(C)NC=CC=O;YMLYBCIJMUZHFM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240569;MM240569;C=CC(C)(C)NC=CC#N;AKANNUAKRPNNFL-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240570;MM240570;CC(C)(C=O)NC=CC#N;QBHLDRMOWQHAIU-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240571;MM240571;C=CC(C)(C)N=CNC=N;SGXZEKOJLHPNQZ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240572;MM240572;C=CC(C)(C)N=CNC=O;JQOYVGZZGWPGTP-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240573;MM240573;C#CC(F)(C=C)C(=N)NO;AQVZLXCSINOUNN-UHFFFAOYSA-N;142.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240574;MM240574;C=CC(O)CCN(N)C=O;HFPLWFLGPCTYBQ-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240575;MM240575;C=CC(C)(C)NN=CC#N;OUJLVFYOTNXHNM-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240576;MM240576;C=CC=NNC(C)(C)C=O;VKWYVOSOZHMTGT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240577;MM240577;CC(C)NN=C(CF)NO;UGRSYEJAFZGIMZ-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240578;MM240578;C=CC=COC(C)(C)C=C;NHRUHZLGNJBFOB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240579;MM240579;C=CC(C)(C)OC=CC=O;DAWGSASUHLUAPX-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240580;MM240580;C=CC(C)(C)OC=CC#N;ZWHUGAHOGORBMS-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240581;MM240581;C=CC=COC(C)(C)C#N;MGAFYAARRZBICU-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240582;MM240582;CC(C)(C#N)OC=CC=O;JMTWFYVXBIQLLH-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240583;MM240583;C=CC(C)(C)OC=NN=C;BBHQMSRCNQFUBP-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240584;MM240584;C=NN=COC(C)(C)C#N;VENPDESDDJIUQF-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240585;MM240585;C=CC=NOC(C)(C)C=C;DSSDSRLRODMMCK-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240586;MM240586;C=CC(C)(C)ON=CC=O;GPDZKDQDZMQMMU-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240587;MM240587;C=CC(C)(C)ON=CC#N;RQCXKFPOHUJGMO-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240588;MM240588;C=CC=NOC(C)(C)C=O;GZWQMLAJSXFMIZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240589;MM240589;C=CC=NOC(C)(C)C#N;KZCXDDMFZJHYCQ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240590;MM240590;CC(C)(C#N)ON=CC=O;JFTYUAFVLIZDMF-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240591;MM240591;C#CC=CCC(C)(C)C=C;HHBIWAGLIUNXKM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240592;MM240592;C#CC=CCC(C)(C)C=O;JYTSOIOYWNRYBF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240593;MM240593;C#CC=CCC(C)(C)C#N;ZQNJJSJXBXLRQK-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240594;MM240594;C#CC=CCC(C)(N)C=C;HYUHTZJYHVMFDD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240595;MM240595;CCC1(C#N)CN(O)C=N1;OMADURRDIIMUQY-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240596;MM240596;C#CC=CCC(C)(O)C#N;AZPKYFYBKJKHBQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240597;MM240597;C#CC=CCC(C)(F)C=C;CBYWRLDRJDOXRX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240598;MM240598;C#CC=CCC(C)(F)C=O;KFKRZKLFSLVJED-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240599;MM240599;C#CC=CCC(C)(F)C#N;IBROHTVBCRZQQI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240600;MM240600;C#CC=NNC(C)(C)C=C;XSXOXTQWIGMEPE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240601;MM240601;C#CC=COC(C)(C)C=C;VKJGDTINKYJPJU-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240602;MM240602;C#CC=COC(C)(C)C=O;MKVPZKGGWIRGMB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240603;MM240603;C#CC=COC(C)(C)C#N;AXQVLPXLNANVSK-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240604;MM240604;C#CC=NOC(C)(C)C=C;HJPSNMXHXSGVMI-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240605;MM240605;C#CC=NOC(C)(C)C#N;YMXQWNMBEYQMBI-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240606;MM240606;C#CC(C)(C)CC=CCC;MSUGPDVOYMSWFP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240607;MM240607;C#CC(C)(C)CC=CCN;OKQPMVCBOIKBAA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240608;MM240608;C#CC(C)(C)CC=CCO;SJHLVRKSHPIOFL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240609;MM240609;C#CC(C)(C)CC=CCF;QFINQIXVRFPWJX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240610;MM240610;C#CC(C)(N)CC=CCC;RVQUUPWXKNLNEE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240611;MM240611;C#CC(C)(N)CC=CCF;PKRLETSIHBUFFI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240612;MM240612;C#CC(C)(O)CC=CCC;LQZGLPDTJDQLOO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240613;MM240613;C#CC(C)(O)CC=CCF;VTCAHNYWZYRYIP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240614;MM240614;C#CC(C)(F)CC=CCC;PQFJLYKNJLBPEK-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240615;MM240615;C#CC(C)(F)CC=CCN;JXNOCLOMQPBKAV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240616;MM240616;C#CC(C)(F)CC=CCO;PVDHRHHLXJFMOX-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240617;MM240617;C#CC(C)(F)CC=CCF;KZPGBGLNIBBPPW-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240618;MM240618;C#CC(C)(N)CC=COC;FAPKJRZAUJXWAN-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240619;MM240619;C#CC(C)(O)CC=COC;SGANTXRSGCOCLX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240620;MM240620;C#CC(C)(N)CC=NNC;GCISZNKLUGXKCB-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240621;MM240621;C#CC(F)(F)CC=NNC;CEBJXLCYOYOTDY-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240622;MM240622;C#CC(C)(C)CC=NOC;VTGALNQPLBUHBD-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240623;MM240623;C#CC(C)(C)NC=NOC;ZUGZMURKRQGCGB-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240624;MM240624;C#CC(C)(C)NN=CCC;SKTMAJXUEDVUBW-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240625;MM240625;C#CC1(CC)CN(O)C=N1;SLYSDMKSBOGODT-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240626;MM240626;C#CC(C)(C)OC=CCC;WMUPZGJJXFVDHZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240627;MM240627;C#CC(C)(C)OC=CCN;LOWRJGMCQBNRTI-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240628;MM240628;C#CC(C)(C)OC=CCO;VOXNDMFSQVWBKF-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240629;MM240629;C#CC(C)(C)OC=CCF;XJZOHBKGQQITSK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240630;MM240630;C#CC(C)(C)OC=COC;BUHPIHQUNCTAPG-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240631;MM240631;C#CC(C)(C)OC=NOC;OMYRYQFLJWCWEW-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240632;MM240632;C#CC(C)(C)ON=CCC;NSANTJHGUQPDMP-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240633;MM240633;C#CC(C)(C)ON=COC;DDBBSOWUKYEOOG-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240634;MM240634;C#CC(C)(C)CC=CC=C;FVKGGTGEOUDNTM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240635;MM240635;C#CC(C)(C)CC=CC=O;SHIQPNTYURZISU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240636;MM240636;C#CC(C)(C)CC=CC#N;ZHFMWUYRASGWTM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240637;MM240637;C#CC(C)(N)CC=CC=C;OIFPMTIUSUUFAK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240638;MM240638;C#CC(C)(O)CC=CC=C;HDRYIHHARYZPGP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240639;MM240639;C#CC(C)(O)CC=CC=O;DJYSGIJRVHUHCS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240640;MM240640;C#CC(C)(F)CC=CC=C;UNMGMNSPNUUHQC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240641;MM240641;C#CC(C)(F)CC=CC=O;BAWCLOPGZVHAAD-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240642;MM240642;C#CC(C)(C)CC=NN=C;CPPLYDWHOXQNHZ-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240643;MM240643;C#CC(C)(N)CC=NN=C;SBDACSMOHMSODD-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240644;MM240644;C#CC(C)(O)CC=NN=C;WAJMSDUDGDDBHZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240645;MM240645;C#CC(C)(F)CC=NN=C;SUPCBARTIPBYQM-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240646;MM240646;C#CC(C)(C)NC=CC=O;OWVSOTNSQFOROE-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240647;MM240647;C#CC(C)(C)NC=CC#N;NFCZHXDOSFYMPC-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240648;MM240648;C#CC(C)(C)N=CNC=N;MOIAKHSTWVPUQR-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240649;MM240649;C#CC(C)(C)N=CNC=O;FDXLZBIUAYIWPR-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240650;MM240650;C=CC1(C#N)CN(O)C=N1;VTGGJYXRYODSGT-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240651;MM240651;C#CC(C)(C)NN=CC#N;XONZNOQOBTVRDK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240652;MM240652;C#CC(C)(C)OC=CC=C;BZPWBXXDZLAJAV-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240653;MM240653;C#CC(C)(C)OC=CC=O;VKGVMCJYZGFPEE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240654;MM240654;C#CC(C)(C)OC=CC#N;NFGVNVVPYKGIMA-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240655;MM240655;C#CC(C)(C)OC=NN=C;LPWNCYXWCWOMTG-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240656;MM240656;C#CC(C)(C)ON=CC=C;SQEHPROZWGPEJC-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240657;MM240657;C#CC(C)(C)ON=CC=O;CVUNFEGPUYAUJV-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240658;MM240658;C#CC(C)(C)ON=CC#N;LYDOGVGCZGUACN-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240659;MM240659;C#CC=CCC(C)(C)C#C;RGJHXOJNSFKEOR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240660;MM240660;C#CC=CCC(C)(N)C#C;BMSYMOQZFOLMPG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240661;MM240661;C#CC=CCC(C)(O)C#C;ZZASHNHAPLVKCY-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240662;MM240662;C#CC=CCC(C)(F)C#C;YIQARIVUSHJYQF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240663;MM240663;C#CC=NNC(C)(C)C#C;KOAXCIUKYSJNQD-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240664;MM240664;C#CC=COC(C)(C)C#C;NNAPNKBTFYXKPS-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240665;MM240665;C#CC=NOC(C)(C)C#C;CYNFHSNTKNCJHA-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240666;MM240666;CCC#CCC(C)(C)CC;NUFKGUKHMUDLSF-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240667;MM240667;CCC(C)(C)CC#CCN;CVOPXHCMDRBJIQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240668;MM240668;CCC(C)(C)CC#CCO;PQLCOKMVWCAZFR-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240669;MM240669;CCC(C)(C)CC#CCF;SWFPOOCEBXZVBN-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240670;MM240670;CCC#CCC(C)(C)CN;SDPLPUOMYNLFSM-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240671;MM240671;CC(C)(CN)CC#CCN;QOAAPOWHAGIABU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240672;MM240672;CC(C)(CN)CC#CCO;AUNLEFFZCSCPJL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240673;MM240673;CC(C)(CN)CC#CCF;GZMQKLNSHSJRRM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240674;MM240674;CC(C)(CO)CC#CCN;KOANGQLAJRQBCV-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240675;MM240675;CC(C)(CO)CC#CCO;FAFBEFFGQULHSG-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240676;MM240676;N#CC1(C=O)CN(O)C=N1;HIDSAYRBSGWNHB-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240677;MM240677;CCC#CCC(C)(C)CF;NQOXJHCGSGIQFV-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240678;MM240678;CC(C)(CF)CC#CCO;BKBRTZRSFKHPDU-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240679;MM240679;CC(C)(CF)CC#CCF;VUKAOPOKYQDMKF-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240680;MM240680;CCC#CCC(C)(N)CC;ATSQJSKMDJSNQZ-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240681;MM240681;CCC(C)(N)CC#CCN;UZIJSYSQDRJLBR-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240682;MM240682;CCC(C)(N)CC#CCO;YXZKWEKOCCAGHT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240683;MM240683;CCC(C)(N)CC#CCF;IKNQSBWQJFWIFV-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240684;MM240684;CC(N)(CN)CC#CCO;XRNNBOLWFWEULB-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240685;MM240685;CC(N)(CO)CC#CCN;VFRSEBMWEBYFCM-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240686;MM240686;CC(N)(CO)CC#CCO;OGUCGQGPNPSNIA-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240687;MM240687;CC(N)(CF)CC#CCN;VVGRNPGBTPGIFA-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240688;MM240688;CC(N)(CF)CC#CCF;FNRYWVOYYFSSAR-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240689;MM240689;N#CC1(C#N)CN(O)C=N1;QDDMMRJIEYWAMH-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240690;MM240690;CCC(C)(O)CC#CCN;LINPZTVCEQRFLZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240691;MM240691;C#CC1(C=C)CN(O)C=N1;XRMPRINUBAPFBR-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240692;MM240692;CC(O)(CN)CC#CCO;GZJVULCHRCNZQQ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240693;MM240693;CC(O)(CO)CC#CCN;MAIJEQHFBPZLFE-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240694;MM240694;CC(O)(CF)CC#CCO;PALMDBLLBJPCBB-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240695;MM240695;CCC#CCC(C)(F)CC;CLZXSXWKAVHWNR-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240696;MM240696;CCC(C)(F)CC#CCN;BVMDJBRGNRCOJX-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240697;MM240697;CCC(C)(F)CC#CCO;QDHQRFFHJPMLDL-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240698;MM240698;CCC(C)(F)CC#CCF;XFGYXMTXEVPQNH-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240699;MM240699;CCC#CCC(C)(F)CO;DTSKIESNOVYMAZ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240700;MM240700;CC(F)(CO)CC#CCF;YEPWQDNTWCFYIV-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240701;MM240701;CC(F)(CF)CC#CCN;XQTCGPBAXPPYKD-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240702;MM240702;CC(F)(CF)CC#CCO;LTGMUMGGZKCXSC-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240703;MM240703;CC(F)(CF)CC#CCF;JLEZBFIZEZCERS-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240704;MM240704;CCC#CCC(F)(F)CC;JYYAIBKNGJUWBG-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240705;MM240705;CCC(F)(F)CC#CCN;QPFMFACLEJMRNK-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240706;MM240706;NCC#CCC(F)(F)CF;MQXYADJIBJDQLS-UHFFFAOYSA-N;151.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240707;MM240707;CCC#CCC(C)(C)NC;LTOVKGHQQNWEJK-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240708;MM240708;CNC(C)(C)CC#CCN;UXYWJAWCXRMWSY-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240709;MM240709;CNC(C)(C)CC#CCO;XRULOZBAOFPCNZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240710;MM240710;CNC(C)(C)CC#CCF;FGAZQJBSLQDHEB-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240711;MM240711;CCC#CCC(C)(C)OC;FKCMLCCUQNMMMV-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240712;MM240712;COC(C)(C)CC#CCN;ZNUFYNLKTBXDCW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240713;MM240713;COC(C)(C)CC#CCO;IJBRALVCZIGLAI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240714;MM240714;COC(C)(C)CC#CCF;ZJEVIKFMGLCTHW-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240715;MM240715;C=CC#CCC(C)(C)CC;VDINZLUCAHCOSC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240716;MM240716;CCC(C)(C)CC#CC=O;XXHXINAOXFQAOJ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240717;MM240717;CCC(C)(C)CC#CC#N;QBAHJRYIPDHDGJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240718;MM240718;C=CC#CCC(C)(C)CN;LYQJXAUJYPDXOW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240719;MM240719;C#CC1(C=O)CN(O)C=N1;DEUBVBRXTFSARH-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240720;MM240720;C#CC1(C#N)CN(O)C=N1;LQXRDIGDDGANPC-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240721;MM240721;C#CC1(C#C)CN(O)C=N1;YOPBUERGTHWINQ-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240722;MM240722;C=CC#CCC(C)(C)CF;AYSVNXLLEJTILF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240723;MM240723;CC(C)(CF)CC#CC=O;DYVAJXXOLKSEGV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240724;MM240724;C=CC#CCC(C)(N)CC;RVCXJWXJIQAXSY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240725;MM240725;C=CC#CCC(C)(N)CN;IHJMKYHOJUSQPB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240726;MM240726;C=CC#CCC(C)(N)CO;RFHODXICAKAZKU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240727;MM240727;C=CC#CCC(C)(N)CF;ZZRNPFLCNRHFPQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240728;MM240728;COCCN(O)C=NC=N;NUELGXAVRGLMOM-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240729;MM240729;CON=CN(O)CC=NN;TYWIQBFVJMCTFI-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240730;MM240730;C=NN=CN(O)CC=NN;HXIDCEDMDUHOHI-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240731;MM240731;C=CC#CCC(C)(O)CN;PSTLMZJBMZKSKN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240732;MM240732;C=CC#CCC(C)(O)CF;MOKCIKRXJDPYNV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240733;MM240733;C=CC#CCC(C)(F)CC;QKPUHXOCWOJLPS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240734;MM240734;CCC(C)(F)CC#CC=O;XYZCUJQBOHHCRB-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240735;MM240735;CCC(C)(F)CC#CC#N;KILYNJNQNKLEOA-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240736;MM240736;C=CC#CCC(C)(F)CN;RQNYHHBTZOHLSY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240737;MM240737;C=CC#CCC(C)(F)CO;GEHTYEJKEFOTEJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240738;MM240738;CC(F)(CO)CC#CC=O;LVNSGGUJPDDWFL-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240739;MM240739;CC(F)(CO)CC#CC#N;JTEXBIYWDJCZPA-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240740;MM240740;C=CC#CCC(C)(F)CF;DZUJFEHXBKFTTN-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240741;MM240741;CC(F)(CF)CC#CC#N;YJHAOIKUYSHAGV-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240742;MM240742;C=CC#CCC(F)(F)CC;HMMDDQLKKKWPKE-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240743;MM240743;CCC(F)(F)CC#CC=O;DVMKYKGONIZOOJ-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240744;MM240744;CCC(F)(F)CC#CC#N;OIVXGXKCDHZDAE-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240745;MM240745;N#CC#CCC(F)(F)CO;MGSOYHBBSLQIPH-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240746;MM240746;N#CC#CCC(F)(F)CF;RZBFIICDEYUWEP-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240747;MM240747;C=CC#CCC(C)(C)NC;HJXYIBTYYVLCOU-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240748;MM240748;CNC(C)(C)CC#CC=O;AEFJBZWERFFMGC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240749;MM240749;CNC(C)(C)CC#CC#N;OFWNXLRFEYNDAQ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240750;MM240750;C=CC#CCC(C)(C)OC;JWXYTXQTKPRAAG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240751;MM240751;COC(C)(C)CC#CC=O;NJAZCRRZBDCTKA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240752;MM240752;COC(C)(C)CC#CC#N;JABANQCOBICXHN-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240753;MM240753;C#CC#CCC(C)(C)CC;BTJFNUVZJNGCDZ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240754;MM240754;C#CC#CCC(C)(C)CN;DMNLBNSCKQLPNR-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240755;MM240755;CCC(C)CON=CCO;WSOLKAVMCAGZBU-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240756;MM240756;C#CC#CCC(C)(N)CC;JSEVGWQUBXBYOF-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240757;MM240757;C#CC#CCC(C)(N)CN;QUESMJLMUWKQEM-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240758;MM240758;C#CC#CCC(C)(N)CO;YVENXCYKAFVPAX-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240759;MM240759;C#CC#CCC(C)(N)CF;KBBKPSKEFWZAGB-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240760;MM240760;CC(C=O)CON=CCO;WEUMBCNUQNOLSC-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240761;MM240761;C#CC#CCC(C)(O)CN;CPCSMXFUGNYKBT-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240762;MM240762;C#CC#CCC(C)(O)CO;MDAIOLJGEXVREX-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240763;MM240763;C#CC#CCC(C)(O)CF;KIEIEINEELULFK-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240764;MM240764;C#CC#CCC(C)(F)CC;DHFOGMUOBZBLNX-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240765;MM240765;C#CC#CCC(C)(F)CN;GPPJFERXEPBALE-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240766;MM240766;C#CC#CCC(F)(F)CC;VYYBHDBUHMASJL-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240767;MM240767;C#CC#CCC(C)(C)NC;QVUCKWSFZAVDBF-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240768;MM240768;C#CC#CCC(C)(C)OC;MQYYFNQSSWLIOT-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240769;MM240769;C=CC(C)(C)CC#CCC;XFAYGPVVSGEHQQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240770;MM240770;C=CC(C)(C)CC#CCN;KHBURXIIRJFUSY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240771;MM240771;C=CC(C)(C)CC#CCO;RYARQEUPBLKPBH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240772;MM240772;C=CC(C)(C)CC#CCF;QLYOEENEVSVNIA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240773;MM240773;CCC#CCC(C)(C)C=O;HDEGVTCWKOOVOV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240774;MM240774;CCC#CCC(C)(C)C#N;AUVDFYJVUQGGTM-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240775;MM240775;CC(C)(C=O)CC#CCO;SAMXCXODNPEROK-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240776;MM240776;CC(C)(C#N)CC#CCO;JMUVOIUPCCZYGB-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240777;MM240777;CC(C)(C=O)CC#CCF;JMPAQSVVTQVQSP-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240778;MM240778;CC(C)(C#N)CC#CCF;KGDXWPCKJSDCHY-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240779;MM240779;C=CC(C)(N)CC#CCC;MISXFFQWWQDIRG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240780;MM240780;C=CC(C)(N)CC#CCO;MEYRCGRJUGJBBE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240781;MM240781;C=CC(C)(N)CC#CCF;SGCWIBKJTYDCAK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240782;MM240782;CC(C#N)CON=CCO;OVHREJAUHDDXBD-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240783;MM240783;C=CC(C)(O)CC#CCN;KFHMDSYLCQBGDZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240784;MM240784;C=CC(C)(O)CC#CCO;CAFLQDQCDGINFH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240785;MM240785;N#CC(F)CON=CCO;LXWJLOCGADPTMF-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240786;MM240786;CCC#CCC(C)(O)C=O;JINOSMKYIOSCRW-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240787;MM240787;CCC#CCC(C)(O)C#N;AHTIGJBMDUXFGS-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240788;MM240788;CC(O)(C#N)CC#CCO;FFLSOIIJLIRLGB-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240789;MM240789;CC(O)(C=O)CC#CCF;OLQIWJMFMSRDRJ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240790;MM240790;CC(O)(C#N)CC#CCF;IPEHQNUKXHFZRL-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240791;MM240791;C=CC(C)(F)CC#CCC;BTIVRPIXEBHESK-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240792;MM240792;C=CC(C)(F)CC#CCN;RGXXDZSWBZZVDK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240793;MM240793;C=CC(C)(F)CC#CCO;VZLRPTJYWBHMLG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240794;MM240794;C=CC(C)(F)CC#CCF;DGBAFGGQYOSWEK-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240795;MM240795;CCC#CCC(C)(F)C=O;YCKFAGNROFBYBQ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240796;MM240796;CCC#CCC(C)(F)C#N;UPBIBVQLKHZPAI-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240797;MM240797;CC(F)(C#N)CC#CCO;LRXUEMDTCONZPR-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240798;MM240798;CC(F)(C=O)CC#CCF;GPKUWLAPPAVSGN-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240799;MM240799;CC(F)(C#N)CC#CCF;BDMSOVCWVWDUGV-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240800;MM240800;C=CC(F)(F)CC#CCC;BRMRLBUCDFZNAA-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240801;MM240801;C=CC(F)(F)CC#CCN;QGJSTKQPMCWSQF-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240802;MM240802;C=CC(F)(F)CC#CCF;LNBACDQUQMAMEU-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240803;MM240803;O=CC(F)(F)CC#CCF;ZSVYWVLXBYZAFW-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240804;MM240804;N#CC(F)(F)CC#CCF;IKKDLJVJZYVSSF-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240805;MM240805;C=CC#CCC(C)(C)C=C;FQPLQFRDVGWPJZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240806;MM240806;C=CC(C)(C)CC#CC=O;LVYBPQVJXRDQPR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240807;MM240807;C=CC(C)(C)CC#CC#N;XQWUBXPAIBBZJT-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240808;MM240808;C=CC#CCC(C)(C)C=O;DDXBNLAXBKAACT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240809;MM240809;C=CC#CCC(C)(C)C#N;JESBZECKMLDUAZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240810;MM240810;CC(C)(C=O)CC#CC=O;CBYCTJCCUBIDDZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240811;MM240811;CC(C)(C=O)CC#CC#N;LVRAUANHELBVDD-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240812;MM240812;CC(C)(C#N)CC#CC=O;XVAHOFAWTXDYQF-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240813;MM240813;C=CC#CCC(C)(N)C=C;IPKKZOYQYFTOQW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240814;MM240814;CCC(=O)CON=CCO;SAEODTFXUZRZDE-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240815;MM240815;CNC(=O)CON=CCF;MZKXGNXSKXIVIG-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240816;MM240816;C=CC#CCC(C)(O)C=O;MIYORBHTEPXLEE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240817;MM240817;C=CC#CCC(C)(O)C#N;HGMUNDWCHOTMHP-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240818;MM240818;CC(O)(C=O)CC#CC=O;VDLLVWDXMBQNHD-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240819;MM240819;CC(O)(C=O)CC#CC#N;SXECNBPTHXQTBB-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240820;MM240820;C=CC#CCC(C)(F)C=C;VLANDYJFQKEKGE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240821;MM240821;C=CC(C)(F)CC#CC=O;UBKYTJRRIYVEOL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240822;MM240822;C=CC(C)(F)CC#CC#N;ZZGRDYJZTIMMQG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240823;MM240823;C=CC#CCC(C)(F)C#N;SKPYUVGZICZGGE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240824;MM240824;CC(F)(C=O)CC#CC=O;JFGFSMCWBWMIRH-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240825;MM240825;C=CC#CCC(F)(F)C=C;AUNMLZJZSWAKQD-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240826;MM240826;C=CC(F)(F)CC#CC=O;XTRWJANSTVRBQI-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240827;MM240827;C=CC(F)(F)CC#CC#N;IWOWHMWELXKIFL-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240828;MM240828;C=CC#CCC(F)(F)C=O;QRLOSEMPKSDAOC-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240829;MM240829;C=CC#CCC(F)(F)C#N;LUKDSJDORHMXRG-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240830;MM240830;O=CC#CCC(F)(F)C=O;VCRVWXVCPICQHJ-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240831;MM240831;C#CC#CCC(C)(C)C=C;UJUGCCHWOWDXNE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240832;MM240832;C#CC#CCC(C)(C)C=O;JZIDLYQEAWUDHR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240833;MM240833;C#CC#CCC(C)(C)C#N;ALLNNNHAIVERTQ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240834;MM240834;C#CC#CCC(C)(N)C=C;CTYIGJBKSPKEGO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240835;MM240835;COC(=O)CON=CCO;OYMWGNATZDLWOB-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240836;MM240836;C#CC#CCC(C)(F)C=C;WDUQSUAQNGIXIU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240837;MM240837;C#CC#CCC(C)(F)C=O;JJCPKYXYCZJTTE-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240838;MM240838;C#CC#CCC(C)(F)C#N;KJQJIQBLOVULPY-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240839;MM240839;C#CC#CCC(F)(F)C=C;YTVXKQYHYBUZHM-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240840;MM240840;C#CC#CCC(F)(F)C=O;URWURKMQWIEFOW-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240841;MM240841;C#CC#CCC(F)(F)C#N;AMPJCDJFMTUGHM-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240842;MM240842;C#CC(C)(C)CC#CCC;UXPVVOXOUNNCEQ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240843;MM240843;C#CC(C)(C)CC#CCN;LHLWESZDKPNNJD-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240844;MM240844;C#CC(C)(C)CC#CCO;PDELJXCPWYAEGN-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240845;MM240845;C#CC(C)(C)CC#CCF;KLPGJNZLCATENJ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240846;MM240846;C#CC(C)(N)CC#CCC;MIMGPVAJOOOHAT-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240847;MM240847;C#CC(C)(N)CC#CCF;ZXLFFFLXBKKUNJ-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240848;MM240848;C#CC(C)(O)CC#CCC;VSDSIQRBUVTRQJ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240849;MM240849;C#CC(C)(O)CC#CCF;OMMUKOPLANJVFG-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240850;MM240850;C#CC(C)(F)CC#CCC;JKXZTPGBNURGSM-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240851;MM240851;C#CC(C)(F)CC#CCN;IAOFYBUZDLXZPM-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240852;MM240852;C#CC(C)(F)CC#CCO;LLBXDZMSPUONDR-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240853;MM240853;C#CC(C)(F)CC#CCF;RDASGGGKXQNFNU-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240854;MM240854;C#CC(F)(F)CC#CCC;WYUKKQRXWYGPPU-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240855;MM240855;C#CC(F)(F)CC#CCN;IKCPGZROZCOXFQ-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240856;MM240856;C#CC(F)(F)CC#CCO;WMDKBFJDMGGWHD-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240857;MM240857;C#CC(F)(F)CC#CCF;XZPHQLMPNREJJE-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240858;MM240858;C#CC(C)(C)CC#CC=C;GEQQTHRQCHZXKT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240859;MM240859;C#CC(C)(C)CC#CC=O;GHHXTXOYOAOYHR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240860;MM240860;C#CC(C)(C)CC#CC#N;VXSCGGQWPWOXQK-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240861;MM240861;C#CC(C)(N)CC#CC=C;DXYPVWCIDXCBFJ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240862;MM240862;C#CC(C)(O)CC#CC=C;PMBHZUZOENZYAC-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240863;MM240863;C#CC(C)(O)CC#CC=O;XDUNBMLYQWJXAL-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240864;MM240864;C#CC(C)(O)CC#CC#N;CKBMCPZUGSLQQD-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240865;MM240865;C#CC(C)(F)CC#CC=C;ATDKFBLHBJXBKJ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240866;MM240866;C#CC(C)(F)CC#CC=O;ADAACIVYAKRKHK-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240867;MM240867;C#CC(C)(F)CC#CC#N;AMLNOQWJYBRQAN-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240868;MM240868;C#CC(F)(F)CC#CC=C;QQHMYRBIKNNPHI-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240869;MM240869;C#CC(F)(F)CC#CC#N;MKMJUCBCDIWIBF-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240870;MM240870;C#CC#CCC(C)(C)C#C;PZBROPKUCONCDV-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240871;MM240871;C#CC#CCC(C)(N)C#C;RGYDRYUZQAPGBG-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240872;MM240872;C#CC#CCC(C)(O)C#C;GHXGMJRNNZPKHO-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240873;MM240873;C#CC#CCC(C)(F)C#C;KOPPHMUHXLKRER-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240874;MM240874;C#CC#CCC(F)(F)C#C;OZPHQCRSMZHRDX-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240875;MM240875;CCCC=CC(C)(C)CC;CNSCWQGVFUYTEV-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240876;MM240876;CCC(C)(C)C=CCCN;JKHQXVOPJDEGQK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240877;MM240877;CCC(C)(C)C=CCCO;HNTYKOIATPZUHT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240878;MM240878;CCC(C)(C)C=CCCF;ATKAAEHJCJCPBY-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240879;MM240879;CCCC=CC(C)(C)CN;LWSDIFOWYFQOGW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240880;MM240880;CC(C)(C=CCCF)CN;OLROBCGZHJRBSV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240881;MM240881;C=C(C=O)CON=CCO;NWDGPYHHTAQBHA-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240882;MM240882;CC(C)(C=CCCN)CO;LHZXULDYCTZCNN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240883;MM240883;C#CC(=C)CON=CCO;AAUSAOURLVHNEC-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240884;MM240884;CCCC=CC(C)(C)CF;UNEYWDWXRSIOEM-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240885;MM240885;CCCC=CC(C)(N)CC;RICZWHAORKDLEV-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240886;MM240886;CCC(C)(N)C=CCCN;ZRKBXMKIKHMOPQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240887;MM240887;CCC(C)(N)C=CCCO;ZTYWSUIYMLEGTA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240888;MM240888;CCC(C)(N)C=CCCF;OYOXQQFEXFRMQP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240889;MM240889;CCCC=CC(C)(N)CN;ZLCQEPDRGIDJSE-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240890;MM240890;CCCC=CC(C)(N)CF;YGRDFKSBMHOHPV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240891;MM240891;C#CC(=O)CON=CCO;HKPYRHKWMINCIR-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240892;MM240892;CCC(C)(O)C=CCCN;QSULCQNMXFDVBN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240893;MM240893;OCC=NOCC(F)=CF;XLUZTZBOAAGRNO-UHFFFAOYSA-N;151.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240894;MM240894;CCCC=CC(C)(O)CO;BCGBXJHONVWMDU-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240895;MM240895;CC(O)(C=CCCO)CO;RDORISHTWIWRKX-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240896;MM240896;CCCC=CC(C)(O)CF;VOEBKYJXSTXDNL-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240897;MM240897;CCCC=CC(C)(F)CC;DDMXWGULRSEBNL-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240898;MM240898;CCC(C)(F)C=CCCO;ISEPWZULVZRPSG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240899;MM240899;CCC(C)(F)C=CCCF;RJYYNMAXEASUHM-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240900;MM240900;CCCC=CC(C)(F)CN;NECCLUUPKGFVKE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240901;MM240901;CC(F)(C=CCCN)CF;IUWWGTNUBGGTNT-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240902;MM240902;CCCC=CC(F)(F)CC;CSBDQQLTVHRFQV-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240903;MM240903;CCC(F)(F)C=CCCN;PVAJUSZUTSARML-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240904;MM240904;CCC(F)(F)C=CCCO;DTDXMWGRVBLZPG-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240905;MM240905;CCC(C)(C)C=CCNC;XHKYPFNQVOKSHI-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240906;MM240906;CNCC=CC(C)(C)CN;OEXOBBXNOJZPQI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240907;MM240907;CNCC=CC(C)(C)CO;BNBUVXLEYCMCIL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240908;MM240908;CNCC=CC(C)(C)CF;OPQAEPDLFIFORD-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240909;MM240909;CCC(C)(N)C=CCNC;YBHHJWYWVOIHOI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240910;MM240910;CNCC=CC(C)(N)CO;KBVSVQYUFNFBGJ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240911;MM240911;CCC(C)(O)C=CCNC;CSLRESZQRSMUGJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240912;MM240912;CNCC=CC(C)(O)CO;QDQKJJNKTZRMSB-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240913;MM240913;CNCC=CC(C)(F)CF;OZTBTFCWYNCYAG-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240914;MM240914;CCC(F)(F)C=CCNC;JJDYQFFRBHITOS-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240915;MM240915;CNCC=CC(F)(F)CF;AHXLJBHKNOZRFC-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240916;MM240916;CCC(C)(C)C=CCOC;MIHUFUXAGKHSHC-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240917;MM240917;COCC=CC(C)(N)CO;MWAZKVDWHXLCCK-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240918;MM240918;CCC(C)(O)C=CCOC;TWIKAJWVMNPQST-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240919;MM240919;COCC=CC(C)(O)CN;DGAZOSWMNANPJN-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240920;MM240920;CCC(C)(F)C=CCOC;DDIDGSKUDQMPFL-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240921;MM240921;COCC=CC(C)(F)CO;CVFCESZYQDQDTA-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240922;MM240922;COCC=CC(F)(F)CO;OYNPBMALXMEZJX-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240923;MM240923;CCCC=CC(C)(C)NC;WHTVBFPMPYHFKN-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240924;MM240924;CNC(C)(C)C=CCCN;UJIBRYMSGLOUFP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240925;MM240925;CNC(C)(C)C=CCCF;LUJIZKVXVKAGPY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240926;MM240926;CNCC=CC(C)(C)NC;DRCKVOFOBAYJJC-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240927;MM240927;CCCC=CC(C)(C)OC;WAGKRXMNSJBELZ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240928;MM240928;COC(C)(C)C=CCCO;USRVZOUPNLVWIN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240929;MM240929;CNCC=CC(C)(C)OC;VKENRADZYVLBIY-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240930;MM240930;COCC=CC(C)(C)OC;FWGUMSRTJJLFSV-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240931;MM240931;CCOC=CC(C)(C)CC;HIZVIOFXAXDPRX-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240932;MM240932;CCOC=CC(C)(C)CN;UNCHVNMRIQVSHM-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240933;MM240933;CCOC=CC(C)(C)CO;VZZRWCPCWDKYMY-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240934;MM240934;CCOC=CC(C)(N)CC;NBWPXOXYRJKSJJ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240935;MM240935;CCOC=CC(C)(N)CN;JLWRVJDXEFMVLL-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240936;MM240936;CCOC=CC(C)(N)CF;ZFYSDVSRWZIKJB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240937;MM240937;CCOC=CC(C)(O)CC;GUYCCZMZKQVSAV-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240938;MM240938;CCOC=CC(C)(O)CF;IFZIJPUXJKLRDT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240939;MM240939;CCOC=CC(C)(F)CC;KSVGKCORZJKEEK-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240940;MM240940;CCOC=CC(C)(F)CO;YTMGNKPEHDAQHC-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240941;MM240941;CCOC=CC(F)(F)CC;UADPYZQWKVLRSQ-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240942;MM240942;CCOC=CC(F)(F)CO;KSISBJGNFZFMKE-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240943;MM240943;CCOC=CC(C)(C)NC;UJLIJDKXCMGMBB-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240944;MM240944;CCOC=CC(C)(C)OC;QGEJXLZKIZWMAM-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240945;MM240945;CCNN=CC(C)(C)CC;HXSISQJWYTUMFM-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240946;MM240946;CCNN=CC(C)(C)CN;FSPYKAQJYZLNNI-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240947;MM240947;CCNN=CC(C)(N)CC;OMTODGLMSALPQZ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240948;MM240948;CCNN=CC(C)(O)CN;WPYMLKRYGLOLAN-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240949;MM240949;CCNN=CC(C)(F)CF;VGTDSDKPEOCQQJ-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240950;MM240950;C=CCNN=CN(O)CC;GZKYHHHJQRFMIP-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240951;MM240951;CCNN=CC(C)(C)OC;IEDDFJVTYZFOCX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240952;MM240952;CCON=CC(C)(C)CC;AUKAKDSZPLICRV-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240953;MM240953;CCON=CC(C)(C)CN;HCBWHGFNHAHWMC-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240954;MM240954;CCNC(CO)C(=O)OC;PMTJNYQWCQXKCV-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240955;MM240955;CCON=CC(C)(C)CF;RDLPBHRAQSTGMA-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240956;MM240956;CCON=CC(C)(N)CC;AEKQDIMNHJBURN-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240957;MM240957;CCON=CC(C)(N)CN;LYSIJWAYXGVPTB-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240958;MM240958;CCON=CC(C)(N)CO;KRMINRYIPRQVAA-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240959;MM240959;CON=C(NO)C(C)C#N;KQLXRNWAOIPHAZ-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240960;MM240960;CCON=CC(C)(O)CN;IHXKBNKFUDNUNX-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240961;MM240961;CCON=CC(C)(F)CC;GVPQASDIJYORBZ-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240962;MM240962;CCON=CC(C)(C)NC;DBYWUQYPNHVTIH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240963;MM240963;CCON=CC(C)(C)OC;PBVJPJZFHVJIRM-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240964;MM240964;C=CCC=CC(C)(C)CC;NOOWGMWMPNNEBY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240965;MM240965;CCC(C)(C)C=CCC=O;UHFYAHFARXRCMI-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240966;MM240966;CCC(C)(C)C=CCC#N;GXJHXSCJQKRHDY-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240967;MM240967;C=CCC=CC(C)(C)CN;DPDFDJVQXNZHAL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C3";;;;;;;2.87;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240968;MM240968;CCN(C)C(=CC=O)CO;GSKPIXAZSAGOQG-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240969;MM240969;C=NNCC(=NOC)NO;USFCYQMBFFSZOT-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240970;MM240970;C=NOCC(=NNC)NO;XRHIWTJQFKLUDK-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240971;MM240971;CC(C)(C=CCC#N)CF;GFCKLIDVEXPVTM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240972;MM240972;C=CCC=CC(C)(N)CC;IISIQQABDWKESB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240973;MM240973;C=CCC=CC(C)(N)CN;JNWAESHNLIFHMG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240974;MM240974;C=CCC=CC(C)(N)CF;UBGUMJVJBRKCDQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240975;MM240975;CN(C)N(C=N)C(=O)CF;PWYBQCDDJOLYDG-UHFFFAOYSA-N;147.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240976;MM240976;C=CC(=C)C(=NN)N(C)O;CCNNVPLWIFKVDN-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240977;MM240977;C=C(F)C(=NOCC)NO;OFASTEPMPCZPIC-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240978;MM240978;C=CCC=CC(C)(O)CO;VVEBXOWRZHRBMF-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240979;MM240979;CC(O)(C=CCC=O)CO;QLBLHGKJQSXTRK-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240980;MM240980;C=CCC=CC(C)(F)CC;JCVNSSPIRWFMSR-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240981;MM240981;CCC(C)(F)C=CCC#N;AORYRCSCTDLHRL-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240982;MM240982;C=CCC=CC(C)(F)CN;QHYVVZQEJJZODX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240983;MM240983;C=CCC=CC(C)(F)CF;QKVPWBBJZDZDLR-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240984;MM240984;C=CCC=CC(F)(F)CC;YXBRFLNHEGXHSP-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240985;MM240985;CCC(F)(F)C=CCC=O;BCNRNBVAHBAFSM-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240986;MM240986;CCC(F)(F)C=CCC#N;WBVRQJZCVTZDQK-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240987;MM240987;C=CCC=CC(C)(C)NC;HKZNEXIBQJDUNJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240988;MM240988;CNC(C)(C)C=CCC#N;VOTNXCODVMNABS-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240989;MM240989;C=CCC=CC(C)(C)OC;ZCZWMVRJEPKGIP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240990;MM240990;COC(C)(C)C=CCC=O;XJXYIOVMYXQHGL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240991;MM240991;COC(C)(C)C=CCC#N;WJBWCYBLRPVYPU-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240992;MM240992;CCC(C)(C)C=CNC=N;VXSKXRSSIPPCQT-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240993;MM240993;CCC(C)(C)C=CNC=O;UDGSGFNTLPVHHU-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240994;MM240994;CC(C)(C=CNC=O)CN;AWPVLTKZCFOGQR-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240995;MM240995;CC(C)(C=CNC=N)CF;CATQULRQIUJQCA-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240996;MM240996;CC(C)(C=CNC=O)CF;LFZPWJAAHDBLSL-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240997;MM240997;CC(N)(C=CNC=N)CN;RAIRVFQQVGYJRB-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240998;MM240998;CC(N)(C=CNC=O)CN;TWRLZTCSWJFTQL-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM240999;MM240999;CC(N)(C=CNC=N)CO;FJKUEHXADZOBLK-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241000;MM241000;CC(N)(C=CNC=O)CO;CKQNTMHYNYUABB-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241001;MM241001;CCC(C)(O)C=CNC=O;UUFBRLNBOKLOQJ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241002;MM241002;CC(O)(C=CNC=N)CN;FGXAAVLREQQVJG-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241003;MM241003;CC(O)(C=CNC=O)CN;SAHIUCCSFADKFG-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241004;MM241004;CC(O)(C=CNC=N)CO;SRNXQTNGTKYNOU-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241005;MM241005;CC(O)(C=CNC=O)CO;VXZQJXKZBZBTLF-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241006;MM241006;CC(O)(C=CNC=O)CF;LDKVFXXVQNGQGD-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241007;MM241007;CCC(C)(F)C=CNC=O;PFYRDDIOJQTQOL-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241008;MM241008;CC(F)(C=CNC=O)CN;CHKBWMTYOSMQSK-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241009;MM241009;CNC(C)(C)C=CNC=N;MTTDBNOOJJZACR-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241010;MM241010;COC(C)(C)C=CNC=N;NUEKKXPJGZFNQC-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241011;MM241011;COC(C)(C)C=CNC=O;FORNKUSJTRTEHX-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241012;MM241012;C=COC=CC(C)(C)CC;IDHNFOHTVVJAFL-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241013;MM241013;CCC(C)(C)C=COC=O;WCPPZIBMOJKXID-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241014;MM241014;C=COC=CC(C)(C)CN;CZQFSTFFYKBKIM-UHFFFAOYSA-N;141.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241015;MM241015;CC(C)(C=COC=O)CN;JPWAVYAGTVKZML-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241016;MM241016;C=COC=CC(C)(C)CO;MTYRPPASZYKTAZ-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241017;MM241017;CC(C)(C=COC=O)CO;QYXLBIJEECWYDC-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241018;MM241018;C=COC=CC(C)(C)CF;ZKCQFMCZXZKNMP-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241019;MM241019;C=COC=CC(C)(N)CC;DPJAQYZUFRJKJI-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241020;MM241020;CCC(C)(N)C=COC=O;ORXMKQREGWDVOK-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241021;MM241021;C=COC=CC(C)(N)CN;OBURARSYQYRTKB-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241022;MM241022;CC(N)(C=COC=O)CN;FXYPRXNLUVHQFS-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241023;MM241023;CC(N)(C=COC=O)CO;CBWFHHWPMSSYQI-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241024;MM241024;C=COC=CC(C)(N)CF;DUISDZMYSBMSKJ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241025;MM241025;CC(N)(C=COC=O)CF;OIYQFJWXDGVYBE-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241026;MM241026;C=COC=CC(C)(O)CC;RAKCOZMBLABLGZ-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241027;MM241027;CCC(C)(O)C=COC=O;WGXQIAUOKCMNQK-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241028;MM241028;C=COC=CC(C)(F)CC;CRCUNNNQHUUWKI-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241029;MM241029;C=COC=CC(C)(F)CN;NPINTMBYDFSVCB-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241030;MM241030;CC(F)(C=COC=O)CN;NAJBSUDRUPCWLL-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241031;MM241031;C=COC=CC(C)(F)CO;ZXYGLJTWEFZZAP-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241032;MM241032;C=COC=CC(C)(F)CF;YZAXOWHEJJPTSW-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241033;MM241033;C=COC=CC(F)(F)CC;XHSHBFOGHCOFAP-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241034;MM241034;CCC(F)(F)C=COC=O;JBKFJLDNMVJPHR-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241035;MM241035;C=COC=CC(F)(F)CO;RVCLYHOJKYXYLR-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241036;MM241036;C=COC=CC(C)(C)NC;SHWLXTDOCNFHNG-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241037;MM241037;CNC(C)(C)C=COC=O;CWRSDMBMJFHZAR-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241038;MM241038;C=COC=CC(C)(C)OC;VWHQDESHTJIWKZ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241039;MM241039;COC(C)(C)C=COC=O;HJTJRDQTLSLLTB-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241040;MM241040;Nn1cc(CO)c(=O)n1N;JOXYYSPTXUHLAQ-UHFFFAOYSA-N;144.13;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241041;MM241041;CC(C)(C=NNC=O)CN;CUVRFMPBGOJDNO-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241042;MM241042;CC(C)(C=NNC=O)CF;WDPJBQZJAHQJAK-UHFFFAOYSA-N;146.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241043;MM241043;CC(O)(C=NNC=N)CN;PHPCQBGUMUEVIC-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241044;MM241044;CC(O)(C=NNC=O)CF;WBCJEIYNJFAWIP-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241045;MM241045;CCC(F)(F)C=NNC=O;LERPBPMNMMYUNQ-UHFFFAOYSA-N;150.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241046;MM241046;CNC(C)(C)C=NNC=O;KJMPDOBNEFYLKB-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241047;MM241047;CCC(C)(C)C=NOC=O;YXHBJUHNULIBMQ-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241048;MM241048;N=c1nc(NO)c(F)no1;IYTYIFCMECOGBC-UHFFFAOYSA-N;146.08;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241049;MM241049;CC(C)(C=NOC=O)CF;UZSATSABFVLBRC-UHFFFAOYSA-N;147.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241050;MM241050;CC(N)(C=NOC=O)CN;RDEXPAWKKVFXJF-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241051;MM241051;CC(N)(C=NOC=O)CO;SRFZCVFQDNIBKM-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241052;MM241052;CCC(CC)ON=CCO;REDVNCRPWMPFOV-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241053;MM241053;CC(O)(C=NOC=O)CN;JPGHEEVJSOQEFP-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241054;MM241054;CCC(C)(F)C=NOC=O;CPJSSCUINRCISO-UHFFFAOYSA-N;147.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241055;MM241055;CC(F)(C=NOC=O)CF;KGYUNXDZEOVOGK-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241056;MM241056;CNC(C)(C)C=NOC=O;WQDLWBBDLFJBRA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241057;MM241057;COC(C)(C)C=NOC=O;BVSPFXQLRNTVNS-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241058;MM241058;C=CNC=NC(C)(C)CC;HGIVBJCGAJAYIB-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241059;MM241059;C=CNC=NC(C)(C)CF;AKBZFVLSDKAZAX-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241060;MM241060;C#CCC=CC(C)(C)CC;VIXXHIFCDWATFU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241061;MM241061;C#CCC=CC(C)(C)CN;HGWGKZHZMZPWCW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241062;MM241062;C=CC(CF)ON=CCO;QSYHNGBHELOLNE-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241063;MM241063;C#CCC=CC(C)(C)CF;ZTFJCENUWQESHB-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241064;MM241064;C#CCC=CC(C)(N)CC;CKHBIMMQPRLXHM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241065;MM241065;N#CC(CF)ON=CCO;YICUJRYNHCHSRJ-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241066;MM241066;C#CCC=CC(C)(F)CN;XDTXJQMYZPCDOH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241067;MM241067;C#CCC=CC(C)(F)CF;JYHIWGWFQFVWSU-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241068;MM241068;C#CCC=CC(F)(F)CC;TYRNYWCWQSIHDQ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241069;MM241069;C#CCC=CC(C)(C)NC;OLNKUBSSBGSRGW-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241070;MM241070;C#CCC=CC(C)(C)OC;XPVUIYZPVFXHEI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241071;MM241071;C=CC(C)(C)C=CCCC;RWMFHDJQXVXXQY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241072;MM241072;C=CC(C)(C)C=CCCN;NTVDKFRXBCWUGD-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241073;MM241073;C=CC(C)(C)C=CCCO;WPYUGGIFYHNSRD-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241074;MM241074;CCCC=CC(C)(C)C=O;JVAUCLUIVOPANG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241075;MM241075;CC(C)(C=O)C=CCCO;OLLYVVDYAIJWKJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241076;MM241076;CC(C)(C#N)C=CCCO;HAVFUQKGLIQKKI-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241077;MM241077;CC(C)(C=O)C=CCCF;AMOLZLDORYIGAX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241078;MM241078;C=CC(C)(N)C=CCCC;DGVCTVASFGAXII-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241079;MM241079;C=CC(C)(N)C=CCCN;GXYYZWSPKVWTIH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241080;MM241080;C=CC(C)(N)C=CCCF;QHSDWTROOMEOBA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241081;MM241081;C=CC(OC)ON=CCO;ASEDBRMMYJDEBR-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241082;MM241082;C=CC(C)(O)C=CCCN;OSKFKCUTRCRGHL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241083;MM241083;COC(C=O)ON=CCO;LHTAGDCUPZERCR-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241084;MM241084;COC(C#N)ON=CCO;TZQPRDWFQZHZPS-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241085;MM241085;CCCC=CC(C)(O)C=O;CQPPHAKUXNPYRX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241086;MM241086;CCCC=CC(C)(O)C#N;USIRZFFNVVJKPJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241087;MM241087;CC(O)(C=O)C=CCCO;OJQAQXVVYAWIMC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241088;MM241088;CC(O)(C#N)C=CCCO;PWIGODMDUCKVHC-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241089;MM241089;CC(O)(C=O)C=CCCF;WDVDENLVWYTGBJ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241090;MM241090;CC(O)(C#N)C=CCCF;ISPPCOKWKJUJMN-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241091;MM241091;C=CC(C)(F)C=CCCC;KJCLLEMIWQPFPA-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241092;MM241092;C=CC(C)(F)C=CCCN;OCWHQYMUMODSIT-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241093;MM241093;CCCC=CC(C)(F)C=O;LGXULLUYYRWJKB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241094;MM241094;CCCC=CC(C)(F)C#N;NWSDVOJHPYXXHV-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241095;MM241095;C=CC(F)(F)C=CCCC;IDEJYMMETFCIJK-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241096;MM241096;C=CC(F)(F)C=CCCO;MLNNVARNRDNETK-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241097;MM241097;CCCC=CC(F)(F)C=O;YNSVAORWHAEMFD-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241098;MM241098;CCCC=CC(F)(F)C#N;OOTAZOURYUDFCE-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241099;MM241099;N#CC(F)(F)C=CCCO;IQTNYALEUPCIEB-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241100;MM241100;C=CC(C)(C)C=CCNC;AHQRPTOLECUGRA-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241101;MM241101;CNCC=CC(C)(C)C=O;NCIJUGITLSUYKW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241102;MM241102;CNCC=CC(C)(C)C#N;JAMAZKSMJFLULX-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241103;MM241103;C=CC(C)(O)C=CCNC;SZYWIWSKNSCQHP-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241104;MM241104;CNCC=CC(C)(O)C=O;ONWYMIKLTJRYNN-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241105;MM241105;CNCC=CC(C)(O)C#N;KCQOXNBYJBECMM-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241106;MM241106;C=CC(C)(F)C=CCNC;JSHZUNLWSKLBRI-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241107;MM241107;CNCC=CC(C)(F)C#N;OXLCYIQOIBGOEG-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241108;MM241108;C=CC(F)(F)C=CCNC;YPQKGHAOUVTDJR-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241109;MM241109;CNCC=CC(F)(F)C#N;FOORWBZFAHWOND-UHFFFAOYSA-N;146.14;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241110;MM241110;C=CC(C)(C)C=CCOC;PZBGGIBGJZVXLF-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241111;MM241111;COCC=CC(C)(C)C#N;NGOJDIUOJCXXBC-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241112;MM241112;C=CC(C)(O)C=CCOC;IBMNFJOUAKVRKQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241113;MM241113;C=CC(C)(F)C=CCOC;BDOVKZPCOBMHST-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241114;MM241114;COCC=CC(C)(F)C#N;JAZMVSAOEVKUEW-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241115;MM241115;C=CC(F)(F)C=CCOC;URNTVMUNVPIYIU-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241116;MM241116;COCC=CC(F)(F)C=O;UKATVIUOOCSPQH-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241117;MM241117;C=CC(C)(C)C=COCC;OWDPGGQXERHGQI-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241118;MM241118;CCOC=CC(C)(C)C=O;UOZUNGCQXFKRJF-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241119;MM241119;CCOC=CC(C)(C)C#N;ZYLTTYPEOPNJRZ-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241120;MM241120;C=CC(C)(N)C=COCC;XZJAOFKSUJPJKG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241121;MM241121;C=CC(C)(O)C=COCC;HAABTTYHXMDTEE-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241122;MM241122;CCOC=CC(C)(O)C#N;YHOHYQKGBKEDCL-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241123;MM241123;C=CC(C)(F)C=COCC;JEDUOTKZUUPGGB-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241124;MM241124;CCOC=CC(C)(F)C=O;OGQDWIKMIPYMTJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241125;MM241125;CCOC=CC(C)(F)C#N;GZLBDDKTDCMEQO-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241126;MM241126;C=CC(F)(F)C=COCC;DSIKDXQNUNPEEL-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241127;MM241127;CCOC=CC(F)(F)C=O;KNFXIUPXSZUGTC-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241128;MM241128;C=CC(C)(C)C=NNCC;PZHMKGNIEKWKIK-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241129;MM241129;CCNN=CC(C)(C)C=O;IRPXHGSUWGUTED-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241130;MM241130;C#CC(OC)ON=CCO;SDORGBYHIHYISA-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241131;MM241131;C#CC(C=C)ON=CCO;XRWMTTPSRNGZDO-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241132;MM241132;NN=C(COCCF)NO;WOLFMAYUEITIEE-UHFFFAOYSA-N;151.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241133;MM241133;CCCNN=C(CF)NO;YTIUYDYCGMTCQU-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241134;MM241134;C=CCOCC(=NN)NO;VUYSZXJUZJULNJ-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241135;MM241135;C=CC(C)(C)C=NOCC;IQDNMXDOOYIKAZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241136;MM241136;CCON=CC(C)(C)C=O;RJSOZDNDEOYFEZ-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241137;MM241137;CCON=CC(C)(C)C#N;MDBXDHSQBVMRQK-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241138;MM241138;C=CC(C)(N)C=NOCC;VERBJVMNZKSHPB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241139;MM241139;NN=C(COC=CF)NO;TUQSEULUCJCQGZ-UHFFFAOYSA-N;149.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241140;MM241140;C=CC(C)(F)C=NOCC;RGUSFMBOFADTKC-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241141;MM241141;C=CC(F)(F)C=NOCC;GXYXJQDNYHSNHZ-UHFFFAOYSA-N;149.14;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241142;MM241142;C=CCC=CC(C)(C)C=C;JGCMTCCAHVSJIC-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241143;MM241143;C=CC(C)(C)C=CCC=O;TUTLTEIAVQTDGA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241144;MM241144;C=CC(C)(C)C=CCC#N;KHFKYOLYSGBESQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241145;MM241145;C=CCC=CC(C)(C)C=O;NHZZCFHBRKCQGZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241146;MM241146;C=CCC=CC(C)(C)C#N;LDTWKEVSEUTZMJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241147;MM241147;CC(C)(C=O)C=CCC=O;GVWUQPPHRWLUAQ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241148;MM241148;CC(C)(C#N)C=CCC=O;ZTDHTHBUSLGSIP-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241149;MM241149;CC(C)(C=O)C=CCC#N;ZXXHVZOYRLAYOW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241150;MM241150;CC(C)(C#N)C=CCC#N;JIFOUOKZYOBLNY-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241151;MM241151;C=CCC=CC(C)(N)C=C;ZDFIKTBVCCPCHF-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241152;MM241152;NN=CNN=C(CF)NO;KIQXLAJBUYAHQW-UHFFFAOYSA-N;149.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241153;MM241153;CNC(=NN)ON=CCO;BOOMPSHPTMDGRJ-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241154;MM241154;CN=C(NN)ON=CCO;BOOMPSHPTMDGRJ-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241155;MM241155;C=CCC=CC(C)(F)C=C;DMJWYSGINWNFEP-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241156;MM241156;C=CC(C)(F)C=CCC=O;POZSWPMGWVBSIB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241157;MM241157;C=CC(C)(F)C=CCC#N;HHCFMZKSPIVULL-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241158;MM241158;C=CC(F)(F)C=CCC=O;KMZNDDUWVKBJGI-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241159;MM241159;C=CCC=CC(F)(F)C=O;ZDXBCJCNJLDILV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241160;MM241160;C=CCC=CC(F)(F)C#N;BQCYGQLELNZFOR-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241161;MM241161;O=CCC=CC(F)(F)C=O;GBLLCVRYQIHWQT-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241162;MM241162;N#CC(F)(F)C=CCC=O;HYPIDSMBMYQUGR-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241163;MM241163;N#CCC=CC(F)(F)C#N;VUGATZUEWORXEB-UHFFFAOYSA-N;142.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241164;MM241164;C=CC(C)(C)C=CNC=N;UZFXMXBKHBJDLA-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241165;MM241165;C=CC(C)(C)C=CNC=O;MKCCKWFEDSMGGH-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241166;MM241166;CC(C)(C=O)C=CN=CN;XSXMHKYKSQUVOJ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241167;MM241167;CC(C)(C=O)C=CNC=O;SQIGCRYPCLQFNA-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241168;MM241168;C=CC(C)(N)C=CNC=N;SVEAXQLKJVHSOJ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241169;MM241169;C=CC(C)(N)C=CNC=O;SGHHBLOSVJMWCO-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241170;MM241170;C=CC(C)(O)C=CNC=N;PMIYZZXOYWLGLB-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241171;MM241171;C=CC(C)(F)C=CNC=N;RRCHCZJKWDFRPB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241172;MM241172;N=CNC=CC(F)(F)C=O;WMNCZMWLMAZEEG-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241173;MM241173;C=COC=CC(C)(C)C=C;JGORDBFYEDNIRX-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241174;MM241174;C=CC(C)(C)C=COC=O;RIMQGIRFWIVBCZ-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241175;MM241175;C=COC=CC(C)(C)C=O;HZQFSFOAVUWZHC-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241176;MM241176;C=COC=CC(C)(C)C#N;REQTUNSIKSAWAT-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241177;MM241177;CC(C)(C=O)C=COC=O;KDNIFWGHQUPTKX-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241178;MM241178;CC(C)(C#N)C=COC=O;UMJSTFLYLHRGIO-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241179;MM241179;C=COC=CC(C)(N)C=C;VABRSNWZCGGHDF-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241180;MM241180;C=COC=CC(C)(O)C=C;RMTRZEJEXFCCME-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241181;MM241181;C=CC(C)(O)C=COC=O;OLQQHQQXRJDIHE-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241182;MM241182;C=COC=CC(C)(O)C=O;FJPORRQLXUVDOV-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241183;MM241183;C=COC=CC(C)(O)C#N;OJTJXHJRFIJIBZ-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241184;MM241184;C=COC=CC(C)(F)C=C;MMXPOLWQXSFWGT-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241185;MM241185;C=CC(C)(F)C=COC=O;RBQROVOGMVSWQJ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241186;MM241186;C=COC=CC(C)(F)C=O;WICZMBRBDXQRTL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241187;MM241187;C=COC=CC(C)(F)C#N;CNFYFYLBFOASIO-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241188;MM241188;C=COC=CC(F)(F)C=C;OBSAVAPBIQFUNQ-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241189;MM241189;C=CC(F)(F)C=COC=O;CIKLGGJTFLOYFU-UHFFFAOYSA-N;148.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241190;MM241190;C=COC=CC(F)(F)C=O;QTUVECPGCLIQMH-UHFFFAOYSA-N;148.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241191;MM241191;C=CC(C)(C)C=NNC=O;DWWHGQYAQMHEAT-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241192;MM241192;C=NOC(=O)C(CO)NC;JXNKZXMMPFTEHK-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241193;MM241193;C=CC(C)(F)C=NNC=O;YGMFRZJMHOCLJM-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241194;MM241194;C=CC(F)(F)C=NNC=O;VUMXYQBTNQFBKO-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241195;MM241195;C=CC(C)(C)C=NOC=O;UJMMOLHPHCXJBE-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241196;MM241196;CC(C)(C=O)C=NOC=O;ZTJBJYSPPQBSLL-UHFFFAOYSA-N;143.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241197;MM241197;CC(C)(C#N)C=NOC=O;NMRJIKHYBUBANQ-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241198;MM241198;C=CC(C)(O)C=NOC=O;AKAJWBSGMZGPMQ-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241199;MM241199;C=CC(F)(F)C=NOC=O;SLMJDPNXPPGXSK-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241200;MM241200;C=CNC=NC(C)(C)C=C;QEOUSDYHFSJJKP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241201;MM241201;C#CCC=CC(C)(C)C=C;PBKNWAFTPAKGPV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241202;MM241202;C#CCC=CC(C)(C)C=O;NOSSQVXYYNDBSB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241203;MM241203;C#CCC=CC(C)(C)C#N;XKSKRSNICUWEPV-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241204;MM241204;C#CCC=CC(C)(N)C=C;ILPPXIIJSVMXLB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241205;MM241205;CC1CN1CC(C#N)C=O;WIMAHXGKYNGWEW-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241206;MM241206;C#CCC=CC(C)(O)C=O;IDHVFISDCFHDBR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241207;MM241207;C#CCC=CC(C)(O)C#N;RZOFXVGOVDAQKO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241208;MM241208;C#CCC=CC(F)(F)C=C;YNQROKMXFJVGEV-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241209;MM241209;C#CC(C)(C)C=CCCC;DCXFICZSDVFMKG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241210;MM241210;C#CC(C)(C)C=CCCN;FLYRKPDLFUTOMM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241211;MM241211;C#CC(C)(C)C=CCCO;WGNGKJCYFMKSDF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241212;MM241212;C#CC(C)(C)C=CCCF;HEFPINAIAVDQFX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241213;MM241213;C#CC(C)(N)C=CCCC;OUBSUBIEFWCFGA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241214;MM241214;C#CC(C)(O)C=CCCC;BMZAOJZAYFXTPH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241215;MM241215;C#CC(C)(F)C=CCCC;MSGOUNIOOOQLLO-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241216;MM241216;C#CC(C)(F)C=CCCN;KSUMDMZYYQDWEM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241217;MM241217;C#CC(F)(F)C=CCCC;SGCSGHVOXCRYIB-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241218;MM241218;C#CC(F)(F)C=CCCO;SKENCXSHWRFZCB-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241219;MM241219;C#CC(F)(F)C=CCCF;IRXGRNUZHOYVQA-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241220;MM241220;C#CC(C)(C)C=CCNC;FBAOFPMXGHZGCV-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241221;MM241221;C#CC(C)(C)C=CCOC;PXZNIXLRTRERLZ-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241222;MM241222;C#CC(C)(N)C=CCOC;NNTLDUIYGTZWQX-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241223;MM241223;C#CC(C)(O)C=CCOC;PWXGUYBIRHKLLF-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241224;MM241224;C#CC(C)(F)C=CCOC;JHBAZAMMXMYUGV-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241225;MM241225;C#CC(C)(C)C=COCC;JXQLVXMBIVPBCJ-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241226;MM241226;C#CC(C)(N)C=COCC;AGLNAQDKENGENN-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241227;MM241227;C#CC(C)(O)C=COCC;VTVSEYGMIVJKFZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241228;MM241228;C#CC(F)(F)C=COCC;XFWVZMHCACFECJ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241229;MM241229;C#CC(C)(F)C=NNCC;BGIQLGIFXMVOBZ-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241230;MM241230;NN=C(NO)C1OC1CF;XWTCBVLXSBTJSD-UHFFFAOYSA-N;149.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241231;MM241231;C#CC(C)(C)C=NOCC;MKMUIHSLHAVFQN-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241232;MM241232;C#CC(C)(F)C=NOCC;KBFAELYNOWZCAO-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241233;MM241233;C#CC(C)(C)C=CCC=C;WPXCAQSPGQLUCF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241234;MM241234;C#CC(C)(C)C=CCC=O;QYFPFABYLLRFSH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241235;MM241235;C#CC(C)(C)C=CCC#N;RPKRVLPNAUTEFU-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241236;MM241236;C#CC(C)(N)C=CCC=C;WSJUQCOKZSDIMZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241237;MM241237;C#CC(C)(O)C=CCC=C;HDTNRNWDDYAFRY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241238;MM241238;C#CC(C)(F)C=CCC=O;OLODXYYEXZAWJF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241239;MM241239;C#CC(F)(F)C=CCC=C;UNXJWGYGHBKHRN-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241240;MM241240;C#CC(F)(F)C=CCC=O;PPZGUDXVHVERLA-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241241;MM241241;C#CC(F)(F)C=CCC#N;RNFGJDDKCBPIOZ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241242;MM241242;C#CC(C)(C)C=CNC=N;JQHKBYNJRUGAJY-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241243;MM241243;C#CC(C)(C)C=CNC=O;PMIMAUMYMZDBKP-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241244;MM241244;C#CC(C)(N)C=CNC=N;RLZYPHPHUXMNOB-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241245;MM241245;C#CC(C)(N)C=CNC=O;HWKYNFHUAPGOCZ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241246;MM241246;C#CC(C)(O)C=CNC=O;VUPLVIKQDRMOQW-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241247;MM241247;C#CC(C)(F)C=CNC=N;PXFUSEWEZBDEIV-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241248;MM241248;C#CC(F)(F)C=CNC=N;SDTAVUJVFHLLMM-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241249;MM241249;C#CC(C)(C)C=COC=C;NMIGBPBUXULSDI-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241250;MM241250;C#CC(C)(C)C=COC=O;RHDJCXKOVNLNFJ-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241251;MM241251;C#CC(C)(N)C=COC=C;IAXAZQLSPBFRSL-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241252;MM241252;C#CC(C)(O)C=COC=C;YEPZQYNJRKBUDQ-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241253;MM241253;C#CC(C)(F)C=COC=C;GFERIVLJJYQTFQ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241254;MM241254;C#CC(F)(F)C=COC=C;PIEDAMFWMYSGNI-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241255;MM241255;C#CC(C)(C)C=NNC=O;ONTOTLJBKLFDCS-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241256;MM241256;C#CC(C)(F)C=NNC=O;ONEBKEMYTIFODU-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241257;MM241257;C#CC(C)(C)C=NOC=O;GQRUKMBUJNDOOY-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241258;MM241258;C#CC(C)(F)C=NOC=O;ZBSMGPHKSQPTSJ-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241259;MM241259;C#CC(C)(C)N=CNC=C;YUVMWUOIOAHIFJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241260;MM241260;C#CCC=CC(C)(C)C#C;NCIJVQFCMIEYPW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241261;MM241261;C#CCC=CC(C)(N)C#C;ZYQWHKYNEVHIQL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241262;MM241262;CC=CC=CC(C)(C)CC;VLOCFFHSHUKSEJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241263;MM241263;CCC(C)(C)C=CC=CF;GGZPPMZGIDZUMH-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241264;MM241264;CC=CC=CC(C)(C)CN;FNUHVGHUQVCUBB-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241265;MM241265;CC(C)(C=CC=CF)CN;FHUZODXVIVHQQM-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241266;MM241266;COCCCON=CCO;VRLRYIGYNVXQPJ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241267;MM241267;COCOCON=CCO;OMWGNQBGJIGAGD-UHFFFAOYSA-N;149.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241268;MM241268;CC=CC=CC(C)(C)CF;WTHHIVRFMJFKHU-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241269;MM241269;CC(C)(C=CC=CF)CF;JURIRRFLGMLXEQ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241270;MM241270;CC=CC=CC(C)(N)CC;SYQGOHDAWLBIPQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241271;MM241271;CCC(C)(N)C=CC=CF;MBCHPIQAJIYDSB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241272;MM241272;CC=CC=CC(C)(N)CN;LFPRPIIMCBIEML-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241273;MM241273;CC(N)(C=CC=CF)CN;PRWUZGKWBWVTQK-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241274;MM241274;C=NNCCON=CCO;WNCSOSFFZZETOB-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241275;MM241275;O=COCCON=CCO;QDRMQONDTGBSCO-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241276;MM241276;CC=CC=CC(C)(O)CO;MYDNEUKZEFEIOG-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241277;MM241277;CC=CC=CC(C)(O)CF;BLONVKOEWCAEKV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241278;MM241278;CC=CC=CC(C)(F)CC;HDQPBRVHZOCKPQ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241279;MM241279;CCC(C)(F)C=CC=CF;QPQXMVBBGCWPRT-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241280;MM241280;CC=CC=CC(C)(F)CN;MUYXPFXGAFVKQC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241281;MM241281;CC(F)(C=CC=CF)CN;WDHDKUXKUAFGSB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241282;MM241282;CC=CC=CC(F)(F)CC;BNZBQCXAFWKZEU-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241283;MM241283;CCC(F)(F)C=CC=CF;BVZUVJFLBMLYRY-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241284;MM241284;CCC(C)(C)C=CC=NN;BCUIYNRIZPWZOW-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241285;MM241285;C=NOCCON=CCO;SZOFXBKKFPSBEA-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241286;MM241286;C=CCOCON=CCO;QPMCMEQQYUPRGW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241287;MM241287;CC(C)(C=CC=NN)CF;SSMNZEVZZQGNMX-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241288;MM241288;CC(C)(C=CC=NO)CF;IGBOSBHHKPTKSU-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241289;MM241289;CCC(C)(N)C=CC=NO;UGAXRRILKYEKLD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241290;MM241290;CC(N)(C=CC=NO)CO;SSQUHTPIGQOEAJ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241291;MM241291;O=CCOCON=CCO;MYUXBIBKQWXQAG-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241292;MM241292;CC(O)(C=CC=NO)CO;MDJJUSRLWYLNPG-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241293;MM241293;CCC(C)(F)C=CC=NN;IMZUFLKFSZTMJH-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241294;MM241294;CCC(C)(F)C=CC=NO;HRJDBXPQXGRDEX-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241295;MM241295;N#CCOCON=CCO;PBMXWYWKRIHANQ-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241296;MM241296;CCC(F)(F)C=CC=NN;AXKPNACFUHOEFD-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241297;MM241297;CCC(F)(F)C=CC=NO;YYZUASXWYKBFGO-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241298;MM241298;CC=CC=CC(C)(C)NC;UYCPEORRSWVOES-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241299;MM241299;CNC(C)(C)C=CC=CF;OLNYHCBFFJXKRH-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241300;MM241300;CNC(C)(C)C=CC=NN;ZCJAFRQQULPGKR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241301;MM241301;CNC(C)(C)C=CC=NO;QUJAQBANHATBJM-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241302;MM241302;CC=CC=CC(C)(C)OC;DWGXFKWLAZKEDU-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241303;MM241303;COC(C)(C)C=CC=CF;UMYBYJIAWUHENM-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241304;MM241304;COC(C)(C)C=CC=NN;ZRWDFJCCDNYYMN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241305;MM241305;COC(C)(C)C=CC=NO;PLWMSJYEJCPFSV-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241306;MM241306;CC=NN=CC(C)(C)CC;WIJVFQQGEUTONS-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241307;MM241307;CC=NN=CC(C)(C)CN;WCTTZOFWDAMQSX-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241308;MM241308;CC=NN=CC(C)(C)CO;OKORXSJKVPJLKY-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241309;MM241309;CC=NN=CC(C)(N)CC;QTYZYJOTDXHKBP-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241310;MM241310;CC=NN=CC(C)(O)CC;RAHZQLOQKBHOGI-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241311;MM241311;CC=NN=CC(C)(O)CF;XOYJLIHLHIGJOZ-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241312;MM241312;CC=NN=CC(C)(F)CC;QKEVUDSAMKXZCU-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241313;MM241313;CC=NN=CC(C)(F)CN;XENTVOQTMHQORQ-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241314;MM241314;CC=NN=CC(C)(F)CO;AOAQKCGKOIAMBW-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241315;MM241315;CC=NN=CC(F)(F)CC;RCPWIRUAISHADD-UHFFFAOYSA-N;148.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241316;MM241316;CC=NN=CC(F)(F)CO;ASKDKENKSGLYBG-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241317;MM241317;CC=NN=CC(C)(C)OC;UYZZLVPHFQLLIU-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241318;MM241318;C=CC(C)(C)C=CC=CC;WTRVDLGPQOCEFH-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241319;MM241319;C=CC(C)(C)C=CC=CF;BHJYKXGYLYUADO-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241320;MM241320;CC=CC=CC(C)(C)C=O;ILDYTFANRVPWAW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241321;MM241321;CC=CC=CC(C)(C)C#N;JVIMBVXIKKNAHZ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241322;MM241322;CC(C)(C=O)C=CC=CF;ZYFKSVAJERABJM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241323;MM241323;CC(C)(C#N)C=CC=CF;QDCIPHMKEHXDEM-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241324;MM241324;C=CC(C)(N)C=CC=CC;YIHCACFUNTUTHQ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241325;MM241325;C=CC(C)(N)C=CC=CF;DVOKWALLHOPHPR-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241326;MM241326;C#CCCCON=CCO;UHMUGYPBTTXRGX-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241327;MM241327;C#CCOCON=CCO;NCYWQLVDNSTTDN-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241328;MM241328;CC=CC=CC(C)(O)C=O;JWEQKHFXHZYIFI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241329;MM241329;CC=CC=CC(C)(O)C#N;HZBDSYZWWGRKHO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241330;MM241330;CC(O)(C=O)C=CC=CF;FTNVYFQTJQAACS-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241331;MM241331;CC(O)(C#N)C=CC=CF;WFASNAVBKPGOJE-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241332;MM241332;C=CC(C)(F)C=CC=CC;REBSVMNHYJTLTK-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241333;MM241333;C=CC(C)(F)C=CC=CF;QMSFOEOVJCOUSZ-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241334;MM241334;CC=CC=CC(C)(F)C#N;YEILSYPBMLPHOF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241335;MM241335;CC(F)(C=O)C=CC=CF;CJLVTGZMYWLIAB-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241336;MM241336;C=CC(F)(F)C=CC=CC;CQJUEJWBZHTLJE-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241337;MM241337;C=CC(F)(F)C=CC=CF;YHRQNAOZOKDDNF-UHFFFAOYSA-N;148.13;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241338;MM241338;CC=CC=CC(F)(F)C#N;LBVJHNAKVJNMEU-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241339;MM241339;C=CC(C)(C)C=CC=NN;NQCLUUWYJZVKAX-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241340;MM241340;CC=CCCON=CCO;TZVGYLWNISWBHS-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241341;MM241341;CC(C)(C=O)C=CC=NO;JMVDNJMFHOGGQV-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241342;MM241342;CC(C)(C#N)C=CC=NO;ROWGQXAHOBGHOC-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241343;MM241343;C=CC(C)(N)C=CC=NO;SRQZXNYWFRMVOY-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241344;MM241344;CC=COCON=CCO;HZZPWIZNAMYQGH-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241345;MM241345;C=CC(C)(O)C=CC=NO;OBKREQRDSMDZSW-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241346;MM241346;C=CC(C)(F)C=CC=NN;WOJLMKGAEQFUER-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241347;MM241347;C=CC(C)(F)C=CC=NO;WOWVQJZWVKIHMX-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241348;MM241348;C=CC(F)(F)C=CC=NN;KLCXLOKSVRKHRB-UHFFFAOYSA-N;146.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241349;MM241349;C=CC(C)(C)C=NN=CC;UJUGEVAJXDHOCS-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241350;MM241350;CC=NN=CC(C)(C)C#N;JRLZWQHSNFZUED-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241351;MM241351;C=CC(C)(O)C=NN=CC;BJSJFZFWIUPRSY-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241352;MM241352;CC=NN=CC(C)(O)C=O;WRDGUQHRIRKUHB-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241353;MM241353;C=CC(C)(F)C=NN=CC;RULCJNGDVBUDPU-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241354;MM241354;CC=NN=CC(C)(F)C#N;RTKXZCSIYVUDDE-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241355;MM241355;CC=NN=CC(F)(F)C=O;WKBWCRJDPHQPTB-UHFFFAOYSA-N;148.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241356;MM241356;CC=NN=CC(F)(F)C#N;OFVIFGXXBIGKPM-UHFFFAOYSA-N;145.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241357;MM241357;C#CC(C)(C)C=CC=CC;KAHFVXWDDPSFGY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241358;MM241358;C#CC(C)(C)C=CC=CF;MCZQXWZSJGRFBN-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241359;MM241359;C#CC(C)(N)C=CC=CC;MBKSOMKCSVYORE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241360;MM241360;C#CC(C)(N)C=CC=CF;NITPWUTUKBSQCU-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241361;MM241361;C#CC(C)(O)C=CC=CC;LKZKHBXYEJEEAY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241362;MM241362;C#CC(C)(O)C=CC=CF;AKNDCLLNIWPVIN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241363;MM241363;C#CC(C)(F)C=CC=CC;BGEQEMVGPCXBMV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241364;MM241364;C#CC(F)(F)C=CC=CC;KUAFYNGHHOGLPT-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241365;MM241365;C#CC(C)(C)C=CC=NN;ATGZAATYCNAISX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241366;MM241366;C#CC(C)(C)C=CC=NO;UYHYYNUMYBXFDK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241367;MM241367;C#CC(C)(F)C=CC=NN;FLEXMHXKOUOCQZ-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241368;MM241368;C#CC(C)(C)C=NN=CC;MWGPKOPJWYARJE-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241369;MM241369;C#CC(C)(O)C=NN=CC;CHQURWXQAXASGX-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241370;MM241370;C#CC(C)(F)C=NN=CC;KBHNFIOBQQXHCC-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241371;MM241371;C#CC(F)(F)C=NN=CC;CUPVBAKULAONKN-UHFFFAOYSA-N;144.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241372;MM241372;CC#CC=CC(C)(C)CC;YMGGESNLMGENHC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241373;MM241373;CC#CC=CC(C)(C)CN;BPWIXBSXBGYVPV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241374;MM241374;NN=COCON=CCO;HHGGVOKXEYIOIK-UHFFFAOYSA-N;147.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241375;MM241375;CC#CC=CC(C)(N)CC;CGOMGYDRRHHABE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241376;MM241376;CC#CC=CC(C)(N)CN;WVHLNNAFWCIOEM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241377;MM241377;CC#CC=CC(C)(N)CF;YWJSEIOIYXSHGR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241378;MM241378;CC#CCCON=CCO;WSAVSSMLCUTIGZ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241379;MM241379;CC#CC=CC(C)(O)CO;JYCSBQIASSLZOO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241380;MM241380;CC#CC=CC(C)(O)CF;OBOZSUOIAOWBNP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241381;MM241381;CC#CC=CC(C)(F)CC;KGZLJBWPCRGIGS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241382;MM241382;CC#CC=CC(C)(F)CF;HTFVMGKQPAXVRN-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241383;MM241383;CC#CC=CC(C)(C)NC;VOVMSICWAUSTHG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241384;MM241384;CC#CC=CC(C)(C)OC;QWCVGJLZKYNWAX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241385;MM241385;C=CC(C)(C)C=CC#CC;WYWXFWREWPHEBB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241386;MM241386;CC#CC=CC(C)(C)C=O;VONMDVCVRQCWNZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241387;MM241387;CC#CC=CC(C)(C)C#N;PLCHCSXAUNKVPC-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241388;MM241388;C=CC(C)(N)C=CC#CC;AJUWMLCFDOZQRD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241389;MM241389;CCC=CCON=CCO;ORFXHQQTWAZUET-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241390;MM241390;CC#CC=CC(C)(O)C=O;NFPWWDXZTPVWQF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241391;MM241391;CC#CC=CC(C)(O)C#N;YVCSSTNFMMIEMD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241392;MM241392;C=CC(C)(F)C=CC#CC;AXZKHRMJNXUNGE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241393;MM241393;CC#CC=CC(C)(F)C=O;ZPLCBYCDPBRQQF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241394;MM241394;CC#CC=CC(C)(F)C#N;FFMLRZOVVAVPLQ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241395;MM241395;C#CC(C)(C)C=CC#CC;LKNGBSVZIWYWOH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241396;MM241396;C#CC(C)(N)C=CC#CC;UZDDCMQMMHWJSP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241397;MM241397;C#CC(C)(O)C=CC#CC;IJZTXAUAHNWJEV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241398;MM241398;C#CC(C)(F)C=CC#CC;ZTBHRYRDOGZIAS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241399;MM241399;CCCC#CC(C)(C)CC;DJOQDOIAGBLYSR-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241400;MM241400;CCC(C)(C)C#CCCN;KFQJOCVTSLILSU-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241401;MM241401;CCC(C)(C)C#CCCO;OYYVXISCJPZMLA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241402;MM241402;CCC(C)(C)C#CCCF;YKXLYRNQGAXLNK-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241403;MM241403;CCCC#CC(C)(C)CN;VXCLHABJWWSCII-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241404;MM241404;CC(C)(C#CCCF)CN;MRHOMDCJDJGAFO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241405;MM241405;CNN=CCON=CCO;LSPLERXSJTXRJO-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241406;MM241406;CON=CCON=CCO;WQYWZYNSUQSANL-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241407;MM241407;CCCC#CC(C)(C)CF;QQMYNGQBMFOEMZ-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241408;MM241408;CC(C)(C#CCCO)CF;ZGYZTNRSSXCTLX-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241409;MM241409;CC(C)(C#CCCF)CF;NUOXEXZQNBPJFE-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241410;MM241410;CCCC#CC(C)(N)CC;QVBTWFBGKKHDSM-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241411;MM241411;CCC(C)(N)C#CCCN;KVOQDEFMEUUMET-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241412;MM241412;CCC(C)(N)C#CCCO;SOOITISLOCOMOZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241413;MM241413;CCC(C)(N)C#CCCF;DKGPZEZFJSASJS-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241414;MM241414;CCCC#CC(C)(N)CN;JOZXTZMPMHLAEU-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241415;MM241415;CC(N)(C#CCCN)CN;GLRGXZZXXSZPQU-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241416;MM241416;CC(N)(C#CCCO)CN;SRDCERDGPWPGLF-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241417;MM241417;CCCC#CC(C)(O)CC;BPLPPLCRCIDCNW-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241418;MM241418;CCC(C)(O)C#CCCN;FRHAMWVSALOFFI-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241419;MM241419;CCC(C)(O)C#CCCF;KJTYMSQQPYXSNE-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241420;MM241420;CC(O)(C#CCCN)CO;NQUSUSYWYINEHS-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241421;MM241421;CC(O)(C#CCCO)CO;XLCCOWAEHWYZDW-UHFFFAOYSA-N;144.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241422;MM241422;CCCC#CC(C)(O)CF;LZEFGMLGQRYFJR-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241423;MM241423;CC(O)(C#CCCO)CF;AQAOTGHDSOEDBV-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241424;MM241424;CCCC#CC(C)(F)CC;QZOUUARKZJUWTH-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241425;MM241425;CCC(C)(F)C#CCCF;DMSDACJAWHEOSS-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241426;MM241426;CCCC#CC(C)(F)CN;HVWFSGKFTVUFKL-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241427;MM241427;CC(F)(C#CCCN)CN;DXOQUYFBZKMSMA-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241428;MM241428;CCCC#CC(C)(F)CO;HJOIUWCYJCSXDA-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241429;MM241429;CCCC#CC(C)(F)CF;VHAXYGRVZIWTCB-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241430;MM241430;CC(F)(C#CCCN)CF;FSPRSGZIDHALQC-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241431;MM241431;CC(F)(C#CCCO)CF;LTCCGMOJGBMKEU-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241432;MM241432;CCCC#CC(F)(F)CC;YPZJZAVGILJIJH-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241433;MM241433;CCC(F)(F)C#CCCN;TVZALZHMLJJPPB-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241434;MM241434;CCC(F)(F)C#CCCO;DYXABPABOXXDCW-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241435;MM241435;CCCC#CC(F)(F)CO;CLISZLLDSVNRDM-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241436;MM241436;CCC(C)(C)C#CCNC;ZEBRTCSDKJZDNM-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241437;MM241437;CNCC#CC(C)(C)CF;QCOFBWMIXBHTOT-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241438;MM241438;CNCC#CC(C)(N)CO;XZTDBJQFXQHOAF-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241439;MM241439;CNCC#CC(C)(O)CN;SRCNKKTUROXVBJ-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241440;MM241440;CCC(C)(F)C#CCNC;JDTHFWJLMCIXIN-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241441;MM241441;CNCC#CC(F)(F)CN;ICYNODWLKYBQTR-UHFFFAOYSA-N;148.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241442;MM241442;CCC(C)(C)C#CCOC;VNCINCAMWSRTHA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241443;MM241443;COCC#CC(C)(C)CN;JOIYEAYIQNVOSW-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241444;MM241444;N#CC=CCON=CCO;ZCRCTKJSFBIVBB-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241445;MM241445;COCC#CC(C)(C)CF;HWAOCOBCNLXZIE-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241446;MM241446;CCC(C)(N)C#CCOC;NAWHEWPYBSPYLM-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241447;MM241447;COCC#CC(C)(N)CN;HNHFNEMNSKLOIU-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241448;MM241448;CCC(C)(O)C#CCOC;YNJFEMBCZUPBGK-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241449;MM241449;COCC#CC(C)(O)CO;UWMOUJVTEHCDFL-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241450;MM241450;CCC(C)(F)C#CCOC;GTAIVTYABDBWRT-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241451;MM241451;CCCC#CC(C)(C)NC;VGBHVDQOFHITIP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241452;MM241452;CNC(C)(C)C#CCCF;JMYAILMJDJYNAF-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241453;MM241453;CNC(C)(C)C#CCOC;VIWXYWACCRYCAF-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241454;MM241454;CCCC#CC(C)(C)OC;XTVRIYFQCJKLFB-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241455;MM241455;COC(C)(C)C#CCCN;AVCZEFQKKXXHEW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241456;MM241456;COC(C)(C)C#CCCO;HBDHIOMQPFSXFL-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241457;MM241457;COCC#CC(C)(C)OC;VYOCMJSYCODJCD-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241458;MM241458;C=CCC#CC(C)(C)CC;QKZFVXWJSQKUEL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241459;MM241459;CCC(C)(C)C#CCC=O;COYFPXRSVZQEIP-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241460;MM241460;CCC(C)(C)C#CCC#N;WHCYSROCMGSBIB-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241461;MM241461;C=CCC#CC(C)(C)CN;YQZOFOBBXHODJN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241462;MM241462;C=NN=CCON=CCO;OUABTSREFOZYAR-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241463;MM241463;C#CC=CCON=CCO;BSAUTMYXWYCTGJ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241464;MM241464;CC(C)(C#CCC#N)CO;IBMTUFADEKIHSV-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241465;MM241465;C=CCC#CC(C)(C)CF;CJLWJIQNDSBCHH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241466;MM241466;CC(C)(C#CCC=O)CF;AMOHWEQKZZPORB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241467;MM241467;CC(C)(C#CCC#N)CF;IRDUJDWXXJPMAU-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241468;MM241468;C=CCC#CC(C)(N)CC;IZYUNYBTGJIJHJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241469;MM241469;C=CCC#CC(C)(O)CC;NQWGFPPDTISQLS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241470;MM241470;CCC(C)(O)C#CCC=O;INAOUKQETFTHGA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241471;MM241471;CCC(C)(O)C#CCC#N;ZRCMVZUAQJNIGB-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241472;MM241472;CC(O)(C#CCC=O)CO;FJJNNESGHGCFCI-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241473;MM241473;C=CCC#CC(C)(O)CF;XMGHBFGXLRHOCP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241474;MM241474;CC(O)(C#CCC#N)CF;FFBYDXCTMSHEQW-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241475;MM241475;C=CCC#CC(C)(F)CC;QMNGQDPXIOAVNP-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241476;MM241476;CCC(C)(F)C#CCC=O;BHAUMOREMXBJBG-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241477;MM241477;CCC(C)(F)C#CCC#N;PDJGGTGYMGXOJU-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241478;MM241478;C=CCC#CC(C)(F)CN;JCAJXFXPRGFFGC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241479;MM241479;C=CCC#CC(C)(F)CO;LALXUFBYIVYNRF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241480;MM241480;CC(F)(C#CCC=O)CO;BJWDCRIXMRQAJJ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241481;MM241481;CC(F)(C#CCC#N)CO;YPOGFRGCKYDHPE-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241482;MM241482;C=CCC#CC(C)(F)CF;HXQODZSAOZKUQP-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241483;MM241483;CC(F)(C#CCC=O)CF;SNSLEALNKLULFA-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241484;MM241484;CC(F)(C#CCC#N)CF;KVGKSOPFPHKXAN-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241485;MM241485;C=CCC#CC(F)(F)CC;CXKUVYMXZBIBST-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241486;MM241486;CCC(F)(F)C#CCC=O;IYZCYZJDEDAKLY-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241487;MM241487;CCC(F)(F)C#CCC#N;PLKUWVYYTQWZHY-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241488;MM241488;C=CCC#CC(F)(F)CO;YZCNUHSRPMATAG-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241489;MM241489;N#CCC#CC(F)(F)CO;DHTJZPICNSXATO-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241490;MM241490;N#CCC#CC(F)(F)CF;OJMCKHHNQZKMCG-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241491;MM241491;C=CCC#CC(C)(C)NC;GGQQMIJQVKRKJC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241492;MM241492;CNC(C)(C)C#CCC=O;VLBGFEASHSMVON-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241493;MM241493;CNC(C)(C)C#CCC#N;WHFZSTOQDMDIJC-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241494;MM241494;C=CCC#CC(C)(C)OC;BLYWNHYVEKYEPG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241495;MM241495;COC(C)(C)C#CCC=O;BNWYARKEKIMTAC-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241496;MM241496;COC(C)(C)C#CCC#N;BKJNTUWSBKRYNZ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241497;MM241497;C#CCC#CC(C)(C)CC;DPOPHEBHVNXAHL-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241498;MM241498;C#CCC#CC(C)(C)CN;VRJZCFOKZKKWDV-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241499;MM241499;CCC#CCON=CCO;YWMGIPKPXCZVHR-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241500;MM241500;C#CCC#CC(C)(C)CF;WKUNLPSOARLVET-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241501;MM241501;C#CCC#CC(C)(N)CC;XZQIYEOBUDKBBY-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241502;MM241502;C#CCC#CC(C)(O)CC;IIWXPRVVCNRUFK-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241503;MM241503;C#CCC#CC(C)(O)CN;WSORDQBWMYXZNQ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241504;MM241504;C#CCC#CC(C)(F)CC;JKLYVZKYZKRIIJ-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241505;MM241505;C#CCC#CC(C)(F)CN;QZQWXOBBDNOVKD-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241506;MM241506;C#CCC#CC(C)(F)CO;PKZOPLUFPHXSGP-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241507;MM241507;C#CCC#CC(C)(F)CF;BMAOVPRKBYHVRR-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241508;MM241508;C#CCC#CC(F)(F)CC;XQXMHGJBUHLPNT-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241509;MM241509;C#CCC#CC(F)(F)CO;KNVMGUIWEKVWSI-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241510;MM241510;C#CCC#CC(C)(C)NC;JWBKMGDKUWXCJJ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241511;MM241511;C#CCC#CC(C)(C)OC;RPNRXZUUNJMNAX-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241512;MM241512;C=CC(C)(C)C#CCCC;RGSLCQMKNGVZGQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241513;MM241513;C=CC(C)(C)C#CCCN;PWLAUQNLWODPNP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241514;MM241514;C=CC(C)(C)C#CCCO;SDSKEACFRMUIEZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241515;MM241515;C=CC(C)(C)C#CCCF;YMNXUSDLJUPMEF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241516;MM241516;CCCC#CC(C)(C)C=O;LFYMUSNRVHRQGM-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241517;MM241517;CCCC#CC(C)(C)C#N;LWVFBQWHTHQBJG-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241518;MM241518;CC(C)(C#CCCO)C=O;SDQBSXPWTMRYQG-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241519;MM241519;CC(C)(C#N)C#CCCO;CPUIVBJFCYZLDL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241520;MM241520;CC(C)(C#CCCF)C=O;VTRFXUWEVIWXDJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241521;MM241521;CC(C)(C#N)C#CCCF;REIPZGUFSLEXGA-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241522;MM241522;C=CC(C)(N)C#CCCC;ADJQHQGEORZHAO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241523;MM241523;C=CC(C)(N)C#CCCF;PCZHEXVWQOTDJL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241524;MM241524;C=CC(C)(O)C#CCCC;ZQQICATYQIIDJE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241525;MM241525;C=CC(C)(O)C#CCCF;XPENPDOUKRVQQL-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241526;MM241526;CCCC#CC(C)(O)C=O;VRDHOGPFQZMRES-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241527;MM241527;CCCC#CC(C)(O)C#N;AHKLUTCFQDJWKG-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241528;MM241528;CC(O)(C#CCCO)C=O;GVPAMDIUJFGURW-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241529;MM241529;CC(O)(C#N)C#CCCO;KHYMIMPDWFKDEM-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241530;MM241530;C=CC(C)(F)C#CCCC;ZUCBRPUMURBHOU-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241531;MM241531;C=CC(C)(F)C#CCCN;CCRDWZPWFJIHRC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241532;MM241532;C=CC(C)(F)C#CCCF;ZAAHJWSJUXFDON-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241533;MM241533;CCCC#CC(C)(F)C=O;DSKXKTINMNJPSC-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241534;MM241534;CCCC#CC(C)(F)C#N;KRBOITXFROSZDC-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241535;MM241535;CC(F)(C#N)C#CCCF;ONTYYJWATXPANE-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241536;MM241536;C=CC(F)(F)C#CCCC;XXRNBFIPDHRFQI-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241537;MM241537;C=CC(F)(F)C#CCCN;HWPNZHXOJAYWEX-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241538;MM241538;C=CC(F)(F)C#CCCO;FHKUXUFSJSWZBG-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241539;MM241539;C=CC(F)(F)C#CCCF;VURCYUFNNHYZKN-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241540;MM241540;CCCC#CC(F)(F)C=O;SFTFXHDHBGTSKU-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241541;MM241541;CCCC#CC(F)(F)C#N;ULJQGYFPYBSBFH-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241542;MM241542;C=CC(C)(C)C#CCNC;SPIZQWXPIJVPTN-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241543;MM241543;CNCC#CC(C)(C)C#N;ATUNRTIWCFJXGH-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241544;MM241544;C=CC(C)(F)C#CCNC;PDIYIPMXMWTYEV-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241545;MM241545;CNCC#CC(C)(F)C#N;PHZKTMULJQUFRA-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241546;MM241546;C=CC(C)(C)C#CCOC;HVFYSVYETBBYMY-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241547;MM241547;COCC#CC(C)(C)C=O;XFPAUNCXVILQQX-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241548;MM241548;COCC#CC(C)(C)C#N;GQVNBNJJMFGLKS-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241549;MM241549;C=CC(C)(N)C#CCOC;NGEZHAZGQHVKTE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241550;MM241550;C=CC(C)(O)C#CCOC;UBNJZARJOMFBNI-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241551;MM241551;C=CC(C)(F)C#CCOC;MLXFBLTVKYLYNL-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241552;MM241552;COCC#CC(C)(F)C=O;VYEXFYCKKWKGBY-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241553;MM241553;COCC#CC(C)(F)C#N;IBSHTKWYNDYXTQ-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241554;MM241554;COCC#CC(F)(F)C=O;KPILROONMYXCHN-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241555;MM241555;COCC#CC(F)(F)C#N;ULUFRJPNJWPVKX-UHFFFAOYSA-N;145.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241556;MM241556;C=CCC#CC(C)(C)C=C;SWXYPDWIIBGZHH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241557;MM241557;C=CC(C)(C)C#CCC=O;XFMJAFVLUDUMCF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241558;MM241558;C=CC(C)(C)C#CCC#N;LLKBGIFEWWGPHS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241559;MM241559;C=CCC#CC(C)(C)C=O;JMNKYNRCJDVMGY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241560;MM241560;C=CCC#CC(C)(C)C#N;MOKXTRQYWLYIKZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241561;MM241561;CC(C)(C#CCC=O)C=O;BHPMCLCXVLRDIL-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241562;MM241562;CC(C)(C#N)C#CCC=O;YJHZQTZFEATAFN-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241563;MM241563;CC(C)(C#CCC#N)C=O;AIZVZMKNBLSOGX-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241564;MM241564;C=CCC#CC(C)(N)C=C;ZJBUJFSEBHVMRN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241565;MM241565;C=CCC#CC(C)(O)C=C;CBQVAFGUGXGANJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241566;MM241566;C=CC(C)(O)C#CCC=O;BKBOSMYQFYGQBU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241567;MM241567;C=CCC#CC(C)(O)C=O;XUCJTYITOZESEA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241568;MM241568;C=CCC#CC(C)(O)C#N;SGCPJIDJEGCHSQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241569;MM241569;C=CCC#CC(C)(F)C=C;OUAMHWMXSPRSQJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241570;MM241570;C=CC(C)(F)C#CCC=O;ODMCIYHYVCGHLE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241571;MM241571;C=CC(C)(F)C#CCC#N;GTWARXGLRMDKIZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241572;MM241572;C=CCC#CC(C)(F)C=O;NVKBVDPFIFHFRV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241573;MM241573;C=CCC#CC(C)(F)C#N;PKIMUAOJZDEPNS-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241574;MM241574;CC(F)(C#CCC=O)C=O;DDULWXINEUWYHU-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241575;MM241575;CC(F)(C#N)C#CCC=O;SACPFODIBMCRIM-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241576;MM241576;C=CCC#CC(F)(F)C=C;BUTLLCUHXCYMCM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241577;MM241577;C=CC(F)(F)C#CCC=O;ZFGXCYTYOCQTTK-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241578;MM241578;C=CC(F)(F)C#CCC#N;YKCCGUXGOFZAHM-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241579;MM241579;C=CCC#CC(F)(F)C=O;TZGVGRFVORWNQP-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241580;MM241580;C=CCC#CC(F)(F)C#N;GICGPDMYCXAWOP-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241581;MM241581;O=CCC#CC(F)(F)C=O;ARQZHAPIHAPWJZ-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241582;MM241582;N#CC(F)(F)C#CCC=O;APPYOXLMBPHLON-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241583;MM241583;N#CCC#CC(F)(F)C=O;JWODFIJKBJMLDV-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241584;MM241584;N#CCC#CC(F)(F)C#N;ISUQRVMHMSXGKI-UHFFFAOYSA-N;140.09;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241585;MM241585;C#CCC#CC(C)(C)C=C;FBBJAVHGUGNFNB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241586;MM241586;C#CCC#CC(C)(C)C=O;HICIENIYLWCRAS-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241587;MM241587;C#CCC#CC(C)(C)C#N;WNIHOLBVZKGORD-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241588;MM241588;C#CCC#CC(C)(N)C=C;KSMOIZIFUAZATQ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241589;MM241589;C#CCC#CC(C)(O)C=C;UYOCOXXFNUGTCX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241590;MM241590;C#CCC#CC(C)(O)C=O;RAHMGQCSMSIWNO-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241591;MM241591;C#CCC#CC(C)(O)C#N;YQOPBMKFIGKDGN-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241592;MM241592;C#CCC#CC(C)(F)C=C;QPXPPCWEGXNRLF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241593;MM241593;C#CCC#CC(C)(F)C=O;BSMYNCYUJYBSQJ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241594;MM241594;C#CCC#CC(C)(F)C#N;SUVRJXSMUOUZBZ-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241595;MM241595;C#CCC#CC(F)(F)C=C;JUQHRYBWVREJQM-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241596;MM241596;C#CCC#CC(F)(F)C=O;CDMIQSLSUFDVPF-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241597;MM241597;C#CCC#CC(F)(F)C#N;NQLOJXMHBNNWBS-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241598;MM241598;C#CC(C)(C)C#CCCC;FDEGEJXVCWHNBM-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241599;MM241599;C#CC(C)(C)C#CCCN;FGZCUODUMQEXJF-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241600;MM241600;C#CC(C)(C)C#CCCF;QTUGYWGRYSDAND-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241601;MM241601;C#CC(C)(O)C#CCCC;HBFUOIFLTCDZGO-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241602;MM241602;C#CC(C)(F)C#CCCC;YLLWFSMMHHTUGI-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241603;MM241603;C#CC(C)(F)C#CCCN;KXEZEXFKDSXFDP-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241604;MM241604;C#CC(C)(F)C#CCCO;YPLVKBDIAFXEHW-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241605;MM241605;C#CC(C)(F)C#CCCF;CSGJVEINHUDHIR-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241606;MM241606;C#CC(F)(F)C#CCCC;REPUAMBPGVCAFN-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241607;MM241607;C#CC(F)(F)C#CCCN;GFCMAWXSFDCGOP-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241608;MM241608;C#CC(F)(F)C#CCCO;DCBJSXUNUKHNSZ-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241609;MM241609;C#CC(C)(C)C#CCNC;YLYYDIINKDLSDN-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241610;MM241610;C#CC(C)(F)C#CCNC;ODKGTHHDNSDXSL-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241611;MM241611;C#CC(C)(C)C#CCOC;YOJBGWGQKMILDB-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241612;MM241612;C#CC(C)(O)C#CCOC;GRHCZNIVRISQSK-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241613;MM241613;C#CC(C)(F)C#CCOC;JNKZUWJKBSQWCN-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241614;MM241614;C#CC(F)(F)C#CCOC;MSWJMCPVZQAKJB-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241615;MM241615;C#CC(C)(C)C#CCC=C;XGSHLNFJMLRBDK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241616;MM241616;C#CC(C)(C)C#CCC=O;PQBQSIDUQMNVHZ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241617;MM241617;C#CC(C)(C)C#CCC#N;BSNXWWVDUTVCQJ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241618;MM241618;C#CC(C)(O)C#CCC=C;CEJWSNWEIBHHJW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241619;MM241619;C#CC(C)(O)C#CCC#N;PGAKPONBLIOCLN-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241620;MM241620;C#CC(C)(F)C#CCC=C;WQWPHHMEERHNNU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241621;MM241621;C#CC(C)(F)C#CCC=O;RASGBKKDCPNURO-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241622;MM241622;C#CC(C)(F)C#CCC#N;IMCNPJIGGPEBPC-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241623;MM241623;C#CC(F)(F)C#CCC=C;ROJZOIOTUSVVHW-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241624;MM241624;C#CC(F)(F)C#CCC=O;GIYQDGVTVYPBKA-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241625;MM241625;C#CC(F)(F)C#CCC#N;QZKMULKSBCIOIJ-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241626;MM241626;C#CCC#CC(C)(C)C#C;ZXBKHNSULUHFCE-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241627;MM241627;C#CCC#CC(C)(O)C#C;PQNGVKJDDLMZCM-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241628;MM241628;C#CCC#CC(C)(F)C#C;DKVFFIXRCAIQSP-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241629;MM241629;C#CCC#CC(F)(F)C#C;SVPNFVCSZHVLTM-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241630;MM241630;CC=CC#CC(C)(C)CC;SDUPHOXGLUUTBS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241631;MM241631;CCC(C)(C)C#CC=CF;OSDBUHWTLNRJPI-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241632;MM241632;CC=CC#CC(C)(C)CN;ZCPMMBAQZLBNQR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241633;MM241633;CC(C)(C#CC=CF)CN;HFGBTKUWTWDJLP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241634;MM241634;C=CC#CCON=CCO;YRGVFYRQSFXHCG-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241635;MM241635;C#CC#CCON=CCO;MHJMBOPBOHHCNF-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241636;MM241636;CC=CC#CC(C)(C)CF;MUMFUUCOYJWOOG-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241637;MM241637;CC(C)(C#CC=CF)CF;SEYPCJSACXQJQL-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241638;MM241638;CC=CC#CC(C)(N)CC;SXCKIRBBAICWIW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241639;MM241639;CCC(C)(N)C#CC=CF;CZECXLOUFIOZJF-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241640;MM241640;CC=CC#CC(C)(O)CC;SJNYIISVHNKEEW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241641;MM241641;CCC(C)(O)C#CC=CF;GAKXKZXUYUWDEB-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241642;MM241642;CC=CC#CC(C)(O)CO;STQJTAYXRWUEQX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241643;MM241643;CC=CC#CC(C)(O)CF;MZKQFPZBAUOYMB-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241644;MM241644;CC(O)(C#CC=CF)CF;ZZPPRVDUIWFVDG-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241645;MM241645;CC=CC#CC(C)(F)CC;FFJPWFADQZPYOT-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241646;MM241646;CCC(C)(F)C#CC=CF;SRBLZMWZWSGKED-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241647;MM241647;CC=CC#CC(C)(F)CN;DWBQUHBNVIORNM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241648;MM241648;CC(F)(C#CC=CF)CN;BCUASBMSETZDTM-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241649;MM241649;CC=CC#CC(C)(F)CO;ALGHMSWHIQGJRF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241650;MM241650;CC=CC#CC(C)(F)CF;KDMQWNSNKWAHMS-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241651;MM241651;CC=CC#CC(F)(F)CC;RJIDJKZPXHDQJO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241652;MM241652;CC=CC#CC(F)(F)CO;DARRIEMXIRGZIT-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241653;MM241653;OCC(F)(F)C#CC=CF;NXYDZFFWFWLWKY-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241654;MM241654;CCC(C)(C)C#CC=NN;SNDHEIIYMHAXES-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241655;MM241655;CCC(C)(C)C#CC=NO;VMLJNRWIEKOHTP-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241656;MM241656;CC(C)(C#CC=NO)CN;IJMCWWZKWPPKLG-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241657;MM241657;CC(C)(C#CC=NO)CO;RODONYPZOHHRQJ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241658;MM241658;CC(C)(C#CC=NN)CF;DCWHPACHZVGBNN-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241659;MM241659;CC(C)(C#CC=NO)CF;RHKMKVZPZTZGQL-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241660;MM241660;CC(N)(C#CC=NO)CN;NVSXWFFUMPNZEO-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241661;MM241661;CC(N)(C#CC=NO)CO;JZJHZQCDYWBCQQ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241662;MM241662;CC=NN=CON=CCO;YANZNSYLHULYDL-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241663;MM241663;CCC(C)(O)C#CC=NO;VXXVDBJFBUNKHH-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241664;MM241664;CC(O)(C#CC=NO)CN;QCKPGHWTXHKYAA-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241665;MM241665;CC(O)(C#CC=NO)CO;NOULJNUTKGKPGN-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241666;MM241666;CCC(C)(F)C#CC=NN;DSLHIGFYRDPXQG-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241667;MM241667;CCC(C)(F)C#CC=NO;IKYSFVKFCQCEPF-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241668;MM241668;CCC(F)(F)C#CC=NN;HAHPXTCGUCZUMV-UHFFFAOYSA-N;146.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241669;MM241669;CC=CC#CC(C)(C)NC;OQWZDXQGRXZLMO-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241670;MM241670;CNC(C)(C)C#CC=CF;AOPSPASWORNTDE-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241671;MM241671;CNC(C)(C)C#CC=NN;MYEGSOVKLJINJQ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241672;MM241672;CC=CC#CC(C)(C)OC;QHFDRODKWLYBIN-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241673;MM241673;COC(C)(C)C#CC=CF;BJOTZVHOMYAXIQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241674;MM241674;COC(C)(C)C#CC=NO;MKUCKPNOHWXUSM-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241675;MM241675;C=CC(C)(C)C#CC=CC;KFCCYKQLPPOJDT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241676;MM241676;C=CC(C)(C)C#CC=CF;USQICHGGGXXOFE-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241677;MM241677;CC=CC#CC(C)(C)C=O;DXLJHWOBCZKUFE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241678;MM241678;CC=CC#CC(C)(C)C#N;IUHLDLZIOMWIEB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241679;MM241679;CC(C)(C#CC=CF)C=O;QWVXGPWSQWLBLO-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241680;MM241680;CC(C)(C#N)C#CC=CF;PHNRODDEOGNFJG-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241681;MM241681;C=CC(C)(N)C#CC=CC;YHTDZJRCLJFTGP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241682;MM241682;C=CC(C)(N)C#CC=CF;NVXUSBANGVFZBR-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241683;MM241683;C=CC(C)(O)C#CC=CC;UVVVTTPQLKMPHA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241684;MM241684;C=CC(C)(O)C#CC=CF;MARQNJZCWFSQDB-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241685;MM241685;CC=CC#CC(C)(O)C=O;SWQBCSXSKJMFLD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241686;MM241686;CC=CC#CC(C)(O)C#N;OSQMGMWTISVGOA-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241687;MM241687;CC(O)(C#CC=CF)C=O;DWIOKZVXZCGMPN-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241688;MM241688;CC(O)(C#N)C#CC=CF;JDTBTJIZVIAEMO-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241689;MM241689;C=CC(C)(F)C#CC=CC;AGWFUASUOHSQMS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241690;MM241690;C=CC(C)(F)C#CC=CF;LWFWKYSJZZTEBY-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241691;MM241691;CC=CC#CC(C)(F)C=O;OKPOIPWTNLZECT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241692;MM241692;CC=CC#CC(C)(F)C#N;OLWQOYUWQNNBCC-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241693;MM241693;CC(F)(C#CC=CF)C=O;GXNOESMMHOFZFZ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241694;MM241694;CC(F)(C#N)C#CC=CF;OTCHUXIGWNJZIZ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241695;MM241695;C=CC(F)(F)C#CC=CC;VJEXQUZVGRIMMG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241696;MM241696;CC=CC#CC(F)(F)C#N;PXOFZRYNQNWNDH-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241697;MM241697;C=CC(C)(C)C#CC=NN;WNKWMMGBEKDVDX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241698;MM241698;C=CC(C)(C)C#CC=NO;CBWLRMSPWNNHNG-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241699;MM241699;CC(C)(C#CC=NO)C=O;ILRWPNVPWKCCGA-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241700;MM241700;CC(C)(C#N)C#CC=NO;SFKBUCCWFLFXDZ-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241701;MM241701;C=CC(C)(N)C#CC=NO;AGEKRRGGYQPCFF-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241702;MM241702;C=CC(C)(O)C#CC=NO;VSGIOXPBYYPPKJ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241703;MM241703;C=CC(C)(F)C#CC=NN;BSNUDECIMASGRZ-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241704;MM241704;C=CC(C)(F)C#CC=NO;OOMMNNZTSPHERO-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241705;MM241705;CC(F)(C#N)C#CC=NO;PIHHDYXLCHIDPR-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241706;MM241706;C=CC(F)(F)C#CC=NN;FCEPKFNVDQQYHA-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241707;MM241707;C#CC(C)(C)C#CC=CC;QSTGDKGBDNCAMP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241708;MM241708;C#CC(C)(C)C#CC=CF;GAVPAFAALCXBGO-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241709;MM241709;C#CC(C)(O)C#CC=CC;UAJUAKJWTLTBOG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241710;MM241710;C#CC(C)(O)C#CC=CF;RRULIFUZDYHPLY-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241711;MM241711;C#CC(C)(F)C#CC=CC;RBAPKJIZKMFOAT-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241712;MM241712;C#CC(C)(F)C#CC=CF;AXHGTFKIQMQDHB-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241713;MM241713;C#CC(F)(F)C#CC=CC;HAOIYDUBXXJIOZ-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241714;MM241714;C#CC(C)(C)C#CC=NN;RPBOCNVIAKRTID-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241715;MM241715;C#CC(C)(C)C#CC=NO;RATXLLNIAAGDGH-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241716;MM241716;C#CC(C)(F)C#CC=NN;OIKUBXLAGBLZJE-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241717;MM241717;C#CC(C)(F)C#CC=NO;UFIGKDNQYZLTBF-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241718;MM241718;C#CC(F)(F)C#CC=NN;KNUQFSNIHCERCW-UHFFFAOYSA-N;142.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241719;MM241719;CC#CC#CC(C)(C)CC;BBOBBUFAXHAGDM-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241720;MM241720;CC#CC#CC(C)(C)CN;NPXCDKLNLJUHJF-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241721;MM241721;CC#CC#CC(C)(C)CO;VUUWWPXLAPCPCN-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241722;MM241722;CC#CC#CC(C)(C)CF;XCUDTTOTQIXKOA-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241723;MM241723;CC#CC#CC(C)(N)CC;XXKCZIUXBNPCDY-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241724;MM241724;CC#CC#CC(C)(O)CC;FNNNZAKJAFQMAQ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241725;MM241725;CC#CC#CC(C)(O)CN;AMDMNWQDABDWDM-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241726;MM241726;CC#CC#CC(C)(O)CO;SEUQTIMAUJZGQB-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241727;MM241727;CC#CC#CC(C)(O)CF;LDMSUVWTKDVEJM-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241728;MM241728;CC#CC#CC(C)(F)CC;PECKJPDNLKDHDI-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241729;MM241729;CC#CC#CC(C)(F)CN;BVRMRARFZSQWRS-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241730;MM241730;CC#CC#CC(C)(F)CO;FSYHVGHMBSZKLD-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241731;MM241731;CC#CC#CC(C)(F)CF;IGRFPUXTDOMTLE-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241732;MM241732;CC#CC#CC(F)(F)CC;JNUDWKIFALNMHQ-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241733;MM241733;CC#CC#CC(C)(C)NC;PIFPSNHTZWXHIL-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241734;MM241734;CC#CC#CC(C)(C)OC;SEXKZCSCKZCRTL-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241735;MM241735;C=CC(C)(C)C#CC#CC;MMBHUTPRVKEOHQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241736;MM241736;CC#CC#CC(C)(C)C=O;BUVXEKIFLCIFGA-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241737;MM241737;CC#CC#CC(C)(C)C#N;MSBNNSSCFZXJHI-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241738;MM241738;C=CC(C)(N)C#CC#CC;FASAKSLDTVLLCV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241739;MM241739;C=CC(C)(O)C#CC#CC;MTAWTUXSQPESOH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241740;MM241740;CC#CC#CC(C)(O)C=O;HFMMXEHRIJFEOO-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241741;MM241741;CC#CC#CC(C)(O)C#N;HCNCQPOOLQWCCY-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241742;MM241742;C=CC(C)(F)C#CC#CC;QFNZJBDTQIWNFF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241743;MM241743;CC#CC#CC(C)(F)C=O;PFAHBFUTJCIFQS-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241744;MM241744;CC#CC#CC(C)(F)C#N;DOZBHDMUGTYXPU-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241745;MM241745;C=CC(F)(F)C#CC#CC;AJQVTYBQHCYWBS-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241746;MM241746;CC#CC#CC(F)(F)C=O;HMCNNOBPNQYNHZ-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241747;MM241747;CC#CC#CC(F)(F)C#N;FUXMCVHFXSWQKA-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241748;MM241748;C#CC(C)(C)C#CC#CC;MBEQDFXRBQFYGE-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241749;MM241749;C#CC(C)(O)C#CC#CC;SOCYRAWJGYKRCE-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241750;MM241750;C#CC(C)(F)C#CC#CC;DVAQXGGDWAQVIN-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241751;MM241751;C#CC(F)(F)C#CC#CC;RZIURRHPMQTTKS-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241752;MM241752;CCCC(C)C(C)(C)CC;WRBHKVWLEIYLDZ-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241753;MM241753;CCC(C)(C)C(C)CCF;TZLPKUXKDKEEPB-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241754;MM241754;CC(CCN)C(C)(C)CN;GLMDGUITHJKIJL-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241755;MM241755;CC(CCO)C(C)(C)CN;MKOXATQEYKJLGB-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241756;MM241756;CC(CCF)C(C)(C)CN;NWOHDVYUDQWQKL-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241757;MM241757;CC(CCN)C(C)(C)CO;CXNZSYQVQKAKIS-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241758;MM241758;CN=C1NN=C(NO)CO1;NEBCXTIBJWXXKE-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241759;MM241759;CNC1=NCC(C=O)=NO1;MPBXUQDIPBXVLM-UHFFFAOYSA-N;141.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241760;MM241760;CCCC(N)C(C)(C)CN;VUBWQUFNBFWYJD-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241761;MM241761;CC(C)(CO)C(N)CCO;CRTFBQXVZPADHZ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241762;MM241762;CC(C)(CO)C(N)CCF;BSKANZAXOLXQNB-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241763;MM241763;CCCC(N)C(C)(C)CF;KLVSMMFHCNJYJU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241764;MM241764;CC(C)(CF)C(N)CCF;WCYZRCNUFKFQEI-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241765;MM241765;CCC(C)(C)C(O)CCN;IYCNFBBVSGFASQ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241766;MM241766;CC(C)(CN)C(O)CCF;WRXYWBWWPVEATK-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241767;MM241767;CC(C)(CO)C(O)CCN;RYRBWANXCOOFII-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241768;MM241768;CC(C)(CO)C(O)CCO;CQJWQTQWIFPMLT-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241769;MM241769;CC(C)(CF)C(O)CCN;CKMLHBSQLHLFRD-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241770;MM241770;CC(C)(CF)C(O)CCO;AFCKIENCOJKUHR-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241771;MM241771;CCCC(F)C(C)(C)CN;AKQQVQXKIKZNCW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241772;MM241772;CC(C)(CN)C(F)CCF;UETWWMIYXKTIAQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241773;MM241773;CCCC(C)C(C)(N)CC;INUSTSPGCFMLNN-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241774;MM241774;CCCC(C)C(C)(N)CN;XFAJMYVKWKSBTD-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241775;MM241775;CCCC(C)C(C)(N)CO;JUMFOMWIOVUMAI-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241776;MM241776;CC(CCO)C(C)(N)CO;OEFHKUSUHVZZMX-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241777;MM241777;CC(CCF)C(C)(N)CF;PHLNAQPHHQYRHQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241778;MM241778;CCCC(N)C(C)(N)CC;VYKKCJRWZSPGKK-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241779;MM241779;CCC(C)(N)C(N)CCF;KKUUPXCMUXAYEQ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241780;MM241780;CCCC(N)C(C)(N)CN;CXZYJCONHYEOOR-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241781;MM241781;CC(N)(CN)C(N)CCO;XSNJDMOGOBXORL-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241782;MM241782;CCCC(N)C(C)(N)CO;HIRYOBPILMAFBX-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241783;MM241783;CC(N)(CN)C(O)CCO;OFSZDHNXHMFLQT-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241784;MM241784;CCCC(O)C(C)(N)CO;KFMMHJCMNPEILJ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241785;MM241785;CC(N)(CO)C(O)CCN;TUROXBATNBUZLS-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241786;MM241786;CC(N)(CO)C(O)CCO;LGSDTFISUBFMCU-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241787;MM241787;CCCC(F)C(C)(N)CN;IKQQHLCZGABDOF-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241788;MM241788;CC1(C)CN(O)C=N1;YVGXQPDQLAGEAF-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241789;MM241789;CCC(C)(O)C(C)CCF;MIHGZBBHUORMTA-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241790;MM241790;CCCC(C)C(C)(O)CN;XPQAUMOGYLBMKH-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241791;MM241791;CC(CCO)C(C)(O)CN;KCEJDWHXSAACCE-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241792;MM241792;CCC(C)(O)C(N)CCO;QRIPMWIIBHDXNM-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241793;MM241793;CCCC(N)C(C)(O)CN;VLECNUSXDNWYAL-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241794;MM241794;CC(O)(CO)C(N)CCN;LLWMHRTUKYSHNR-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241795;MM241795;CC(O)(CO)C(N)CCO;ORZNBKWEWSFJQE-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241796;MM241796;CC(O)(CF)C(N)CCF;LWJUZVUIJPBJEA-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241797;MM241797;CCC(C)(O)C(O)CCN;ATQURXCHHIVLSJ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241798;MM241798;CC(O)(CN)C(O)CCN;CJYLMFPBXTYPOM-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241799;MM241799;CC(O)(CN)C(O)CCO;NZVHUIJTJFMWBH-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241800;MM241800;CC(O)(CO)C(O)CCN;YRXUGGTYHWMVOO-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241801;MM241801;CC(O)(CO)C(O)CCO;PSPYALHBMWQVPK-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241802;MM241802;CC(O)(CF)C(O)CCO;HWYZUCLQEDXKGM-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241803;MM241803;CC(O)(CN)C(F)CCF;HZRNBKCUGBHBCT-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241804;MM241804;CC(O)(CO)C(F)CCO;BWLFEEXZIZFXSV-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241805;MM241805;CC(O)(CF)C(F)CCN;QCVGTPNZYOELMI-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241806;MM241806;CCC(C)(F)C(C)CCN;NLHRYVHXOGVHMZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241807;MM241807;CC(CCN)C(C)(F)CN;KINWPSCGWLNPSM-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241808;MM241808;CC(CCF)C(C)(F)CN;KJEIQNUGXQBZLT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241809;MM241809;CCC(C)(F)C(N)CCF;RHXNMXMEWSHJJT-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241810;MM241810;CC(F)(CF)C(N)CCO;UCERGGFBRIUBMK-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241811;MM241811;CC(F)(CO)C(O)CCO;CRKIIPAOYMREKN-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241812;MM241812;CC(CCN)C(F)(F)CN;RKLFHWNMVISZCO-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241813;MM241813;NCCC(O)C(F)(F)CO;MRLHXSLNCRXMKL-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241814;MM241814;OCCC(O)C(F)(F)CO;YHGCXQXRERQJOP-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241815;MM241815;OCCC(O)C(F)(F)CF;FINCNESDEURORU-UHFFFAOYSA-N;158.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241816;MM241816;NCCC(F)C(F)(F)CO;UQALOWGLFFXBFK-UHFFFAOYSA-N;157.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241817;MM241817;CCC(C)(C)C(C)CNC;TXTNBCLNWZRJMA-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241818;MM241818;CNCC(C)C(C)(C)CN;ATFJATVRPMVVPW-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241819;MM241819;CNCC(C)C(C)(C)CO;XWUQFPWHPSNSRG-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241820;MM241820;CCC(C)(C)C(N)CNC;WKKDJJKETZEJKJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241821;MM241821;CNCC(O)C(C)(C)CO;YWKHFFYJLFJLIZ-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241822;MM241822;CNCC(F)C(C)(C)CF;AASDLATVVGYZRU-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241823;MM241823;CNCC(O)C(C)(N)CN;OQLOVUVERAWHOE-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241824;MM241824;CNCC(O)C(C)(N)CO;QZHFKJZNCDOUBC-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241825;MM241825;CCC(C)(N)C(F)CNC;FEGQEGPGUYBOLQ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241826;MM241826;CNCC(N)C(C)(O)CO;SLPSHTYELOXADX-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241827;MM241827;CCC(C)(O)C(O)CNC;VAPRVUUSBCXGFY-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241828;MM241828;CNCC(O)C(C)(O)CO;SMCNIDXXMCKPIJ-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241829;MM241829;CCC(C)(F)C(C)CNC;QHWGYTNRUXJJBH-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241830;MM241830;CNCC(N)C(C)(F)CF;YNVRYBYDUUKNGY-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241831;MM241831;CNCC(O)C(C)(F)CN;JMHQQYQAAKNGML-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241832;MM241832;CNCC(C)C(F)(F)CN;FZUATAPBVGISQB-UHFFFAOYSA-N;152.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241833;MM241833;CNCC(C)C(F)(F)CO;BDFAUJORGYVDRG-UHFFFAOYSA-N;153.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241834;MM241834;CNCC(N)C(F)(F)CO;NLHNVTNWTDUWQJ-UHFFFAOYSA-N;154.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241835;MM241835;CNCC(O)C(F)(F)CO;MSLRVJWSSGSCBC-UHFFFAOYSA-N;155.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241836;MM241836;COCC(N)C(C)(C)CN;KONBLVPORYVCIX-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241837;MM241837;COCC(N)C(C)(C)CO;RNWCUBXNTTYOAN-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241838;MM241838;CCC(C)(C)C(O)COC;XGJDQKPFBBPOMN-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241839;MM241839;COCC(O)C(C)(C)CN;BFTNHPJUPODFRE-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241840;MM241840;COCC(O)C(C)(C)CO;FQOMVQJZCOVIFY-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241841;MM241841;COCC(C)C(C)(N)CO;RDOUPAURFQETNA-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241842;MM241842;COCC(O)C(C)(N)CO;KOHLAOTYHZCJKJ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241843;MM241843;COCC(N)C(C)(O)CO;HZERPBPWMFIXRN-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241844;MM241844;CCC(C)(O)C(O)COC;FIQYZPQOZPQLKB-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241845;MM241845;COCC(O)C(C)(O)CO;CSVNNDDHRNKXGC-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241846;MM241846;COCC(O)C(C)(F)CN;XKJDLAFJXXJQTN-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241847;MM241847;CCC(F)(F)C(O)COC;BVFMOWVJMSPSCT-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241848;MM241848;CNC(C)(C)C(C)CCN;JISODADXOIRECV-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241849;MM241849;CNC(C)(C)C(C)CCO;KGKIQOPYZJVWSH-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241850;MM241850;CNC(C)(C)C(C)CCF;DRRXXNSUROVVJN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241851;MM241851;CCCC(N)C(C)(C)NC;JDURLJBQKXWTLR-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241852;MM241852;CNC(C)(C)C(F)CCF;ALJQRQLYQCLVRS-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241853;MM241853;CNCC(O)C(C)(C)NC;VOEBXBOYUNCUHL-UHFFFAOYSA-N;146.23;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241854;MM241854;COC(C)(C)C(O)CCN;VDHDVEIBSFDLHN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241855;MM241855;CNCC(C)C(C)(C)OC;PYNJOLFIWBCSQP-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241856;MM241856;CNCC(O)C(C)(C)OC;QKACIJOFPLHGFG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241857;MM241857;CCNC(C)C(C)(C)CC;LZJHVKKLNSCTLV-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241858;MM241858;CCNC(C)C(C)(C)CN;JFWHMIGPYKEFCD-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241859;MM241859;CCNC(C)C(C)(C)CF;CYDSBUMFEDEBTB-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241860;MM241860;CCNC(C)C(C)(N)CC;NMAOJWKBXYOPHG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241861;MM241861;CCNC(C)C(C)(N)CO;FGFQLTLPCKMOPB-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241862;MM241862;CCNC(C)C(C)(F)CC;VWSGXIRVOSHYPF-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241863;MM241863;CCNC(C)C(C)(C)NC;PVSBZSLYNRZBCC-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241864;MM241864;CCOC(C)C(F)(F)CO;SSIWCYZTPNSEBR-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241865;MM241865;CCOC(C)C(C)(C)NC;PFRXBWMQQJJUOQ-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241866;MM241866;CCCN(C)C(C)(C)CC;OGMHQWHTSKGGNM-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241867;MM241867;CCCN(C)C(C)(C)CN;SUYALMZDPNWSFJ-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241868;MM241868;CN(CCO)C(C)(C)CO;NEHBSHJKGUCORU-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241869;MM241869;C=CCC(C)C(C)(C)CC;WVAFKFHDTUQPHP-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241870;MM241870;CCC(C)(C)C(C)CC=O;WBHQBQWSPDSAQX-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241871;MM241871;CCC(C)(C)C(C)CC#N;WQHRGBXUVQYRLV-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241872;MM241872;C=CCC(C)C(C)(C)CF;OGLZGDBJMKGVKQ-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241873;MM241873;C=CCC(N)C(C)(C)CN;YOJCPOJKVKPZHD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241874;MM241874;C=CCC(N)C(C)(C)CF;UTUIBXCKAAKKJZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241875;MM241875;CCC(C)(C)C(O)CC#N;MSRMHGPHOAHWHI-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241876;MM241876;CC(C)(CO)C(O)CC#N;JWRFSNLSKQYHNJ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241877;MM241877;C=CCC(F)C(C)(C)CN;XDCITPKHYZUZNP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241878;MM241878;C=CCC(C)C(C)(N)CC;NGHXGCBYUVYGIN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241879;MM241879;C=CCC(C)C(C)(N)CF;KVBMEMAQKQGFDM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241880;MM241880;C=CCC(N)C(C)(N)CC;SVLIHHLFFHWBDH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241881;MM241881;CN(O)C(=N)C=NN;FNEOHMAXIFGMQV-UHFFFAOYSA-N;116.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241882;MM241882;CC(CC=O)C(C)(O)CF;TXDJUCIZGOUSTB-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241883;MM241883;C=CCC(N)C(C)(O)CC;PXOABBSALLRHTD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241884;MM241884;CCC(C)(O)C(O)CC=O;XWLFNIOGNJCSPO-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241885;MM241885;CC(O)(CO)C(O)CC=O;JBYBIVQDDZZNKP-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241886;MM241886;CC(O)(CF)C(O)CC=O;FXQOVALLTPXLME-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241887;MM241887;CC(O)(CO)C(F)CC=O;DBSCUKUQQQJJDE-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241888;MM241888;C=CCC(C)C(C)(F)CN;RHQSQUSLRRXOIW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241889;MM241889;C=CCC(N)C(C)(F)CC;CYNBYXLELHRTRQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241890;MM241890;CCC(C)(F)C(O)CC=O;YLKAFSHMBGKEOD-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241891;MM241891;C=CCC(O)C(C)(F)CN;POKXOABVJDAORD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241892;MM241892;CC(F)(CO)C(O)CC=O;MCLRUSSSOOAGRP-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241893;MM241893;C=CCC(F)C(C)(F)CN;ZSTURIUEGPVYNW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241894;MM241894;O=CCC(O)C(F)(F)CO;UJBOEZVKDOYRSN-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241895;MM241895;CNC(C)(C)C(C)CC#N;GSDGIYQXJJCVAF-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241896;MM241896;C=CCC(N)C(C)(C)NC;KVLDYXKOUUOSMQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241897;MM241897;CNC(C)(C)C(O)CC=O;FXJKZYUHCSJOOP-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241898;MM241898;CNC(C)(C)C(O)CC#N;JOAFYBHNYRNKRG-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241899;MM241899;C=CCC(C)C(C)(C)OC;VTPHVHBINLBGDO-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241900;MM241900;C=CCC(O)C(C)(C)OC;ZNGUNRBVGAIAJN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241901;MM241901;COC(C)(C)C(F)CC#N;ABBSCKOBZLPXSA-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241902;MM241902;CNN=C(C=O)NO;SYDRYLHEHMTYEQ-UHFFFAOYSA-N;117.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241903;MM241903;CC(NC=N)C(C)(C)CF;WIYXZSZRMCKISX-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241904;MM241904;N=C1CCN(O)C=N1;JXLZFVMWOZJUPX-UHFFFAOYSA-N;113.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241905;MM241905;CCC(C)(N)C(C)NC=N;WMZPFUBIVBAMAJ-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241906;MM241906;CC(NC=O)C(C)(N)CN;RHVMQDDVPWSKHQ-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241907;MM241907;CC(NC=O)C(C)(N)CO;HCUIETXFJKKAQA-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241908;MM241908;CC(NC=O)C(C)(N)CF;RAAZESHAOJOXNJ-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241909;MM241909;CC(NC=O)C(C)(O)CN;BGRYWGYEENLTHC-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241910;MM241910;CCC(C)(F)C(C)NC=N;VGDLLYQKZZBJPN-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241911;MM241911;C=NNC(C)C(C)(C)CC;ZUCKPOPOEFMJKL-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241912;MM241912;C=NNC(C)C(C)(N)CC;LYXUCPKXUGWVQW-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241913;MM241913;C=NNC(C)C(C)(N)CN;JMLJHRPHFMJISG-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241914;MM241914;C=NNC(C)C(C)(F)CF;VFDKEJZXBIIVEQ-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241915;MM241915;C=NNC(C)C(C)(C)OC;AKFLFDADXQNHNG-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241916;MM241916;CC(OC=O)C(C)(C)CN;VZZNCMZCBOXWRP-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241917;MM241917;C=COC(C)C(C)(C)CF;MOTIDJIJLGVZMJ-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241918;MM241918;C=COC(C)C(C)(N)CC;MVKMVWCATDMBEF-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241919;MM241919;CCC(C)(N)C(C)OC=O;GMUYOWISKILNTB-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241920;MM241920;C=COC(C)C(C)(N)CN;OOWORAHZHOJCMG-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241921;MM241921;C=COC(C)C(C)(N)CO;RFUMBKPLWUDKAU-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241922;MM241922;CC(OC=O)C(C)(N)CF;LFCGDPDIDJMCMK-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241923;MM241923;C=COC(C)C(C)(O)CC;AAJKGFAVKLEWDT-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241924;MM241924;C=COC(C)C(C)(F)CC;ZQTKOYBIKFCVOE-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241925;MM241925;CC(OC=O)C(C)(F)CN;CDLVOSLCCIAKMK-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241926;MM241926;C=COC(C)C(F)(F)CO;LGPHLTHQYZTXFX-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241927;MM241927;C=NOC(C)C(C)(C)CC;KHTJSWWIKOHZRN-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241928;MM241928;C=NOC(C)C(C)(N)CC;OXRKOJAZIZASDC-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241929;MM241929;C=NOC(C)C(C)(N)CN;LGAZPPUNTRQDQV-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241930;MM241930;CC1CC(NO)=NO1;WILKIKQRWVFIEZ-UHFFFAOYSA-N;116.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241931;MM241931;C=NOC(C)C(C)(C)NC;NZTOQBZCKYEMLA-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241932;MM241932;C=COC(C)C(C)(C)OC;RRGOQOSCDWBGJP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241933;MM241933;C=CCN(C)C(C)(C)CC;PERNCIYLXRPGCG-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241934;MM241934;C=CCN(C)C(C)(C)CN;NKXCSHIKZJIGKI-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241935;MM241935;C=CCN(C)C(C)(C)CO;VSULNVWYPOOPPY-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241936;MM241936;CCC1CN(O)C=N1;GGMZNTFQPLDZTH-UHFFFAOYSA-N;114.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241937;MM241937;ON1C=NC(CF)C1;RUSNRTILXXSDDM-UHFFFAOYSA-N;118.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241938;MM241938;CN(NC=N)C(C)(C)CN;CCWQVFOAJXRJAR-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241939;MM241939;CN(NC=O)C(C)(C)CN;ZGSHXZGVTZJDPC-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241940;MM241940;C=CC1CN(O)C=N1;ZZVRUESBLFPBAQ-UHFFFAOYSA-N;112.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241941;MM241941;CN(NC=N)C(C)(C)CF;KIJJVFZILHYMHM-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241942;MM241942;CN(NC=O)C(C)(C)CF;LTTFDJUCDQPUQD-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241943;MM241943;C#CCC(C)C(C)(C)CC;JLGOXWUXEWLTOC-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241944;MM241944;C#CCC(C)C(C)(C)CN;BPWNTSBHVFZKDG-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241945;MM241945;C#CCC(O)C(C)(C)CN;RRWPJSRRDJFCBK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241946;MM241946;C#CCC(O)C(C)(C)CO;JOLMVTKOJLILBE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241947;MM241947;C#CCC(C)C(C)(N)CC;YUFMXKIDFIKNKP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241948;MM241948;C#CCC(C)C(C)(N)CF;JLLWCAPCKSVLLR-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241949;MM241949;C#CCC(N)C(C)(N)CC;NIUCRJLGTMEDFX-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241950;MM241950;C#CCC(N)C(C)(N)CN;HVIPNIGBQLAUMG-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241951;MM241951;C#CCC(O)C(C)(N)CC;MYYJAHHIFNEKGC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241952;MM241952;C#CCC(C)C(C)(O)CN;YQEDGRZYYPYKGK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241953;MM241953;C#CCC(N)C(C)(O)CF;XYEQVTGJCHNUCJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241954;MM241954;C#CCC(O)C(C)(O)CC;ORUVFAAGGDITQA-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241955;MM241955;C#CCC(O)C(C)(O)CO;JYJKITXILOVQHP-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241956;MM241956;C#CCC(C)C(C)(F)CC;XFKVIVVXYACOMR-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241957;MM241957;C#CCC(N)C(C)(F)CC;ZQBMYTMEHIGXQG-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241958;MM241958;C#CCC(C)C(C)(C)NC;LKBFCZSOTAFPFS-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241959;MM241959;C#CCC(O)C(C)(C)OC;GRHLCCUNNSMQCE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241960;MM241960;C=CC(C)(C)C(C)CCC;LJGOPNNGUDPKCZ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241961;MM241961;C=CC(C)(C)C(C)CCN;KGTVOLYUXJVBEA-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241962;MM241962;O=CC1CN(O)C=N1;NWNBNCXABIGHSU-UHFFFAOYSA-N;114.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241963;MM241963;C=CC(C)(C)C(C)CCF;SHXCDZJJWMBITG-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241964;MM241964;C#CC1CN(O)C=N1;OLRGFIBNYVWNJM-UHFFFAOYSA-N;110.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241965;MM241965;CC(CCF)C(C)(C)C#N;GFKANNRFFJFVHK-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241966;MM241966;C=CC(C)(C)C(N)CCC;DHHLQUTWRYMZRO-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241967;MM241967;C=CC(C)(C)C(N)CCN;ABDZXGQAJBAOKD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241968;MM241968;C=CC(C)(C)C(N)CCF;JXVGYVACLMVTIE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241969;MM241969;C=CC(C)(C)C(O)CCO;RDWOAJAURJKKGS-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241970;MM241970;C=CC(C)(N)C(C)CCC;IZNPBSGDUQTVKB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241971;MM241971;C=CC(C)(N)C(C)CCO;HVHFCNZROQBWFA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241972;MM241972;C=CC(C)(N)C(N)CCC;HAMIJLYYGZIDRF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241973;MM241973;C=CC(C)(N)C(O)CCN;NDYADLAMWJXJRZ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241974;MM241974;C=CC(C)(N)C(F)CCC;QDGVALMXZVDZIE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241975;MM241975;CN=Nc1cc[nH]c1;VRBXJOSJTMPFHJ-UHFFFAOYSA-N;109.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241976;MM241976;C=CC(C)(O)C(C)CCO;GXXZXEBLLMJXIF-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241977;MM241977;CCCC(C)C(C)(O)C=O;UPCRHIUPXHGZPY-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241978;MM241978;C=CC(C)(O)C(N)CCC;CHCLVOHMTZCPQH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241979;MM241979;C=CC(C)(O)C(O)CCO;CQDOKSWTCCIGQO-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241980;MM241980;CC(O)(C=O)C(O)CCO;YZJLIYNSJBMWTR-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241981;MM241981;CC(O)(C#N)C(O)CCO;WVWLLBKGCRJZOM-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241982;MM241982;C=CC(C)(O)C(F)CCC;MJDZCVZIBZCENJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241983;MM241983;CCCC(F)C(C)(O)C#N;VLBXFEOWBWQUGC-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241984;MM241984;CC(CCF)C(C)(F)C#N;QKAQATYZHCAIEH-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241985;MM241985;C=CC(C)(F)C(N)CCO;WAQUZDVSOHKPOY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241986;MM241986;C=CC(C)(F)C(F)CCN;UUYQUJMLUSSOKA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241987;MM241987;O=CC(F)(F)C(O)CCF;UUBSDZKCRQBGRM-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241988;MM241988;C=CC(C)(C)C(C)CNC;JIOIWAWCWQSDEP-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241989;MM241989;CNCC(C)C(C)(C)C=O;OTRIVEUCAGSRHR-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241990;MM241990;CNCC(C)C(C)(C)C#N;NQESAYNPBIKXEV-UHFFFAOYSA-N;140.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241991;MM241991;CNCC(O)C(C)(C)C=O;HNLHFGPKMHQAPI-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241992;MM241992;C=CC(C)(C)C(F)CNC;IEQYJQFNNPNPIL-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241993;MM241993;C=CC(C)(N)C(O)CNC;FATWRFAQGUMUFZ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241994;MM241994;C=CC(C)(O)C(C)CNC;AHPHACBKVRQONE-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241995;MM241995;CNCC(O)C(C)(O)C#N;MAQKBJCGXHVTBH-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241996;MM241996;C=CC(C)(F)C(C)CNC;JNVGETKAWYBAGH-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241997;MM241997;C=CC(C)(C)C(C)COC;SJNHLOPTKWMAMD-UHFFFAOYSA-N;142.24;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241998;MM241998;COCC(C)C(C)(C)C#N;KUSZRZVFWTXDEY-UHFFFAOYSA-N;141.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM241999;MM241999;C=CC(C)(C)C(O)COC;PEJQFRSVEWKKEN-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242000;MM242000;C=CC(C)(N)C(O)COC;FQGRVAZJZDSGGO-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242001;MM242001;COCC(C)C(C)(O)C=O;CBQHHSICTOFAHO-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242002;MM242002;C=CC(C)(O)C(N)COC;QBKJOILXXFTLHK-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242003;MM242003;COCC(O)C(C)(O)C=O;NPASYTHWSQFKSY-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242004;MM242004;COCC(F)C(C)(F)C#N;UBQLQFXNPAKJEE-UHFFFAOYSA-N;149.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242005;MM242005;COCC(F)C(F)(F)C=O;IWHZHPBRUGZPCY-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242006;MM242006;COCC(F)C(F)(F)C#N;WVZWVXOXUKLXEA-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242007;MM242007;C=CC(C)(C)C(C)NCC;XKSVWGVPNGURMX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242008;MM242008;CCNC(C)C(C)(C)C#N;QWZLEVDNCMFYFC-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242009;MM242009;C=CC(C)(N)C(C)NCC;ZQZCRUFGBFOSNK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242010;MM242010;CCNC(C)C(C)(O)C=O;AYOZJVAYNDRNOE-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242011;MM242011;CCOC(C)C(C)(O)C=O;KYBJCPPBQINBGE-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242012;MM242012;CCOC(C)C(C)(O)C#N;AMDZHVOJSBAIFM-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242013;MM242013;C=CC(C)(C)N(C)CCC;SGSGUCHSOLRIRI-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242014;MM242014;C=CC(C)(C)N(C)CCN;NUSCKLDCOGDEAA-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242015;MM242015;C=CCC(C)C(C)(C)C=C;AIRIIVAZEQUTAR-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242016;MM242016;C=CC(C)(C)C(C)CC=O;LBAPQSXWYJPEIT-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242017;MM242017;C=CC(C)(C)C(C)CC#N;NRGUYWGHCPSGHW-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242018;MM242018;C=CCC(C)C(C)(C)C#N;FQUKIUPMDBGQEI-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242019;MM242019;CC(CC=O)C(C)(C)C#N;CLRMDVCWERWPTB-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242020;MM242020;C=CCC(N)C(C)(C)C=C;ANWDPFZOLOOTNG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242021;MM242021;C=CC(C)(C)C(O)CC#N;OUEWDERKDOSYBE-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242022;MM242022;CC(C)(C#N)C(O)CC#N;MPDARTZQPOZKPS-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242023;MM242023;C=CC(C)(C)C(F)CC=O;NSFXZBXDKMWBOU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242024;MM242024;CC(C)(C=O)C(F)CC#N;SFURFEZTAHRLSM-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242025;MM242025;C=CCC(C)C(C)(N)C=C;ZWDRKSNUBIDZIW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242026;MM242026;CC(=N)N=C(C)N(C)O;WBXNCEVVBUMFOV-UHFFFAOYSA-N;129.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242027;MM242027;C=CC(C)(O)C(C)CC=O;QTVJKXJLCXOMPG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242028;MM242028;C=CCC(C)C(C)(O)C#N;RFBVBJRWADKKLO-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242029;MM242029;C=CCC(N)C(C)(O)C=C;WDGYYIRBBFKEEY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242030;MM242030;C=CC(C)(O)C(O)CC=O;TWMFTLOCNYEOTD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242031;MM242031;C=CCC(O)C(C)(O)C=O;LRMQOYQODXPXLQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242032;MM242032;C=CC(C)(O)C(F)CC#N;DUXIARVVWINUST-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242033;MM242033;C=CCC(F)C(C)(O)C=O;JQPSJKHAUCJEHT-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242034;MM242034;N#CCC(F)C(F)(F)C#N;UFNSWUIIOYVHCR-UHFFFAOYSA-N;148.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242035;MM242035;C=CC(C)(C)C(C)NC=N;UDMXEDBTUHSLCK-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242036;MM242036;C=C(F)CN(O)C=NN;YZSWXKMPVKOUSH-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242037;MM242037;CC(N=CN)C(C)(C)C=O;UFFLLFAXUJPHKT-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242038;MM242038;CC1(C)CC(NO)=NO1;JDCKJYNKVODUBD-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242039;MM242039;C=CC(C)(N)C(C)NC=N;YICXNVHEICGWKP-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242040;MM242040;C=CC(C)(N)C(C)NC=O;XYGABYPQVWIYJN-UHFFFAOYSA-N;142.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242041;MM242041;C=CC(C)(O)C(C)NC=N;MTHBBVOZAIWMAK-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242042;MM242042;CC(NC=O)C(C)(O)C#N;CTUPMMOTCMZRNJ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242043;MM242043;CC(NC=O)C(C)(F)C=O;NDSOLONMHFAXHE-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242044;MM242044;C=CC(C)(C)C(C)NN=C;HAOKBNZHKNLLEW-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242045;MM242045;C=NNC(C)C(C)(C)C=O;AOYZFBDOJGZVEY-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242046;MM242046;CCC1(C)CN(O)C=N1;QCYXDTOQHBMBLF-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242047;MM242047;CC1(CF)CN(O)C=N1;JYLPHDLWLIPYIW-UHFFFAOYSA-N;132.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242048;MM242048;C=CC1(C)CN(O)C=N1;KSNOCZCDVJHFNP-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242049;MM242049;C=COC(C)C(C)(C)C=C;AQWSINJMSQVXCL-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242050;MM242050;C=COC(C)C(C)(N)C=C;JCMUYOQZWLWPPX-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242051;MM242051;C=COC(C)C(C)(O)C#N;ZEDZZNSMSOWXBN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242052;MM242052;CC(OC=O)C(C)(O)C=O;JLWVUVZQWSTCNH-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242053;MM242053;C=CC(C)(F)C(C)OC=O;UNICEVFOPJJKTG-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242054;MM242054;C=CC(C)(N)C(C)ON=C;CCINELPILDBJDV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242055;MM242055;C=CCN(C)C(C)(C)C=C;SSIRWSPGRJZRIF-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242056;MM242056;C=CCN(C)C(C)(C)C#N;JRARPUFHNYNWJS-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242057;MM242057;C=CC(C)(C)N(C)NC=N;MFIQJXRHVQUPRT-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242058;MM242058;CN(NC=N)C(C)(C)C#N;MDOYDDIMCMSSHV-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242059;MM242059;C#CCC(C)C(C)(C)C=C;VZPZBTKYMLSOQH-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242060;MM242060;C#CCC(C)C(C)(C)C=O;OEQHDGKSAWMLSC-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242061;MM242061;C#CCC(C)C(C)(C)C#N;CFFYMSVMELCFDK-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242062;MM242062;C#CCC(N)C(C)(C)C=C;PDPHBBUSEUDOKD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242063;MM242063;C#CCC(O)C(C)(C)C=O;PIMDRCXVFKWUEN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242064;MM242064;C#CCC(F)C(C)(C)C#N;VIQFMHRLEMRXOA-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242065;MM242065;C#CCC(C)C(C)(N)C=C;PGRLCHRTMVGQPC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242066;MM242066;CC1(C=O)CN(O)C=N1;ABSAHDPYHJWNRA-UHFFFAOYSA-N;128.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242067;MM242067;C#CCC(N)C(C)(O)C=C;LBUIASLCODYILN-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242068;MM242068;C#CCC(O)C(C)(O)C=C;CFODPNPEPLSVFF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242069;MM242069;C#CCC(O)C(C)(O)C#N;XJVFDKCMGAELJL-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242070;MM242070;C#CCC(F)C(C)(O)C#N;VXXPTZBAGSIRRX-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242071;MM242071;C#CCC(O)C(C)(F)C#N;UGYIWTAJWFIMPA-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242072;MM242072;C#CCC(O)C(F)(F)C#N;HANPWQBHCVSCQL-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242073;MM242073;C#CCN(C)C(C)(C)C=C;HWVPFUNFLQSWLH-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242074;MM242074;C#CC(C)(C)C(C)CCC;UCYFNTHTAMMVJO-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242075;MM242075;C#CC(C)(C)C(C)CCN;MZNWBAWSGNGIOS-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242076;MM242076;CN(C)N=C(C=O)NO;KWAAAQRFWZJOAW-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242077;MM242077;C#CC(C)(C)C(N)CCC;CORCKIWGMNYPGK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242078;MM242078;C#CC(C)(C)C(N)CCN;WDNANQFMHOFXLD-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242079;MM242079;C#CC(C)(C)C(N)CCF;AKORPPWPOFVTCU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242080;MM242080;C#CC(C)(C)C(O)CCO;MLGLZBSSSUBMNS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242081;MM242081;C#CC(C)(C)C(F)CCO;CFZDBWGDJBOFBA-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242082;MM242082;C#CC(C)(C)C(F)CCF;HDICQMNJZJFPEO-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242083;MM242083;C#CC(C)(N)C(C)CCC;NAJLUBZFAIQKOT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242084;MM242084;C#CC(C)(N)C(O)CCO;LIJNXDBASHVBAB-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242085;MM242085;C#CC(C)(O)C(C)CCF;UIFZXQNPMNYRIE-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242086;MM242086;C#CC(C)(O)C(O)CCO;OPCFDZWNYHIADR-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242087;MM242087;C#CC(C)(F)C(N)CCF;DJWZGCFGIXBCCA-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242088;MM242088;C#CC(C)(C)C(C)CNC;JYJPRTPTMYTJQG-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242089;MM242089;C#CC(C)(C)C(O)CNC;YAEZUAMGFLTTMG-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242090;MM242090;C#CC(C)(C)C(F)CNC;GVFCMDRWUWLNNM-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242091;MM242091;C#CC(C)(N)C(O)CNC;YRHBTBNAZKSOPY-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242092;MM242092;C#CC(C)(O)C(O)CNC;KRSWWVSFKXQWBK-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242093;MM242093;C#CC(C)(N)C(C)COC;JFIBIJPNZJZXBC-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242094;MM242094;C#CC(C)(N)C(N)COC;BMKOJVFFBWLPJB-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242095;MM242095;C#CC(C)(O)C(O)COC;MYQQYKAOUPYIRS-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242096;MM242096;C#CC(C)(F)C(O)COC;MAXYJOVVYDEYTD-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242097;MM242097;C#CC(F)(F)C(F)COC;QCCRDDIGYVGNSJ-UHFFFAOYSA-N;152.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242098;MM242098;C#CC(C)(N)C(C)OCC;GRGMWARHUQWLBI-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242099;MM242099;C#CC(C)(O)C(C)OCC;NVIZKJXITLDXPR-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242100;MM242100;C#CC(C)(C)N(C)CCC;NEJHNAGZPMOYNR-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242101;MM242101;C#CC(C)(C)C(C)CC=C;JYPBQIIGSYUCSU-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242102;MM242102;C#CC(C)(C)C(C)CC#N;XRTQEADWEQQPNL-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242103;MM242103;C#CC(C)(C)C(N)CC=C;UZDRXMVVZFRAGN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242104;MM242104;C#CC(C)(C)C(O)CC#N;CJBLJNKZJCRIJC-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242105;MM242105;C#CC(C)(C)C(F)CC=O;JUUYAMXQTQMBTB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242106;MM242106;C#CC(C)(C)C(F)CC#N;IYKOYJOMMIPDPW-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242107;MM242107;C#CC(C)(N)C(O)CC=C;ZXGISWZZSKWGBF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242108;MM242108;C#CC(C)(O)C(C)CC=C;XQUAFKCXPNJHPQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242109;MM242109;C#CC(C)(O)C(N)CC=C;TUGZNOLBFNUKEI-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242110;MM242110;C#CC(F)(F)C(F)CC#N;SGHLJFLOSNWMGM-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242111;MM242111;C#CC(C)(C)C(C)NC=N;XAOPOVLDTNYCIU-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242112;MM242112;C#CC(C)(N)C(C)NC=O;CGPZSKFMAMZHTD-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242113;MM242113;C#CC(C)(F)C(C)NC=O;MIWTYCQRAAOVED-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242114;MM242114;C#CC(C)(F)C(C)NN=C;RPDNDJQUOFCHMG-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242115;MM242115;C#CC(C)(C)C(C)OC=C;LUWRBKJZTUENCS-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242116;MM242116;C#CC(C)(N)C(C)OC=C;LRDWQUZJRUMQTB-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242117;MM242117;C#CC(C)(O)C(C)OC=C;HVVQZSBKZVAQNE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242118;MM242118;C#CC(C)(F)C(C)OC=O;AFXKPKAMYLYLBI-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242119;MM242119;C#CC(C)(C)C(C)ON=C;ZSLVCECAQSMKGB-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242120;MM242120;C#CC(C)(C)N(C)CC=C;IABRQDFZSNUJRR-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242121;MM242121;C#CCC(C)C(C)(C)C#C;YXUAEGPAYFICQD-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242122;MM242122;C#CCC(N)C(C)(C)C#C;SWSJQQANCZRBDM-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242123;MM242123;C#CCC(C)C(C)(N)C#C;VXCXQJOSXHXUJL-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242124;MM242124;C#CCC(N)C(C)(N)C#C;VUOYZHFNYUTMIM-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242125;MM242125;C#CCC(C)C(C)(O)C#C;AFVBWFGUFZEXCW-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242126;MM242126;C#CCC(O)C(C)(F)C#C;PLECQNOMKNFCMZ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242127;MM242127;C=C(CCC)C(C)(C)CC;HAORTRZZERJPJC-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242128;MM242128;C=C(CCN)C(C)(C)CC;PLONHAVSMZBQAN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242129;MM242129;C=C(CCN)C(C)(C)CN;BVQNIWJWFKWWOI-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242130;MM242130;C=C(CCF)C(C)(C)CN;YZXGXPRVIFVAPV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242131;MM242131;C=C(F)C(F)C(=N)NO;RAPBXYBBVVNUJQ-UHFFFAOYSA-N;136.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242132;MM242132;C=C(CCC)C(C)(C)CF;ZRXNUVDIQBVSTP-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242133;MM242133;C=C(CCN)C(C)(C)CF;WJDIAZIMHVDPTE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242134;MM242134;CN(C)C(=O)C(=N)NO;HXDWEGSYTNRECG-UHFFFAOYSA-N;131.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242135;MM242135;CCCC(=O)C(C)(C)CO;DMMWXOQLWAYPFK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242136;MM242136;CCCC(=O)C(C)(C)CF;APLKXHDUAVSZMI-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242137;MM242137;C=C(CCO)C(C)(N)CC;DOBFHRRYJRGLAB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242138;MM242138;C=C(CCF)C(C)(N)CC;QNTXTWLMRFZAAJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242139;MM242139;C=C(CCN)C(C)(N)CN;KVGJQPKGXAZRDX-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242140;MM242140;C=C(CCF)C(C)(N)CN;HSMMSLLDOIKHCM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242141;MM242141;C=C(CCN)C(C)(N)CF;DDDTWHKDNNISRO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242142;MM242142;C=C(CCF)C(C)(N)CF;CIBIATQCDWBGGM-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242143;MM242143;C=C(CCN)C(C)(O)CC;OKTRMHDPVSAACS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242144;MM242144;C=C(CCO)C(C)(O)CO;PIVPAYUCRZNZMH-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242145;MM242145;CCC(C)(O)C(=O)CCO;INRACCYTEOIEAT-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242146;MM242146;CC(O)(CO)C(=O)CCO;UHZLCNNVPSWLBR-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242147;MM242147;C=C(CCN)C(C)(F)CC;JTEMEMJNCMMBGB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242148;MM242148;C=C(CCO)C(C)(F)CC;IMXGHJANOWSGNH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242149;MM242149;C=C(CCN)C(C)(F)CN;LLAZRLYUXXOGCM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242150;MM242150;C=C(CCF)C(C)(F)CN;GSISDZIBLXFVFT-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242151;MM242151;CCC(C)(F)C(=O)CCO;YIYREDFVUMXLCA-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242152;MM242152;CCCC(=O)C(F)(F)CF;NJIZHARGPILPJT-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242153;MM242153;C=C(CNC)C(C)(C)CC;WSEJHDIIVUMKDA-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242154;MM242154;C=C(CNC)C(C)(C)CF;ZDWAENLJBPTBHH-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242155;MM242155;C=C(CNC)C(C)(N)CC;XGPXTDZHXMZZFY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242156;MM242156;C=C(CNC)C(C)(N)CF;GACHQLLPQOUHGB-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242157;MM242157;C=C(CNC)C(C)(O)CC;HMRPHSGINBYAMB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242158;MM242158;C=C(CNC)C(C)(F)CC;ZWVJCSUPCUFSQH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242159;MM242159;C=C(COC)C(C)(C)CC;SBHHAKRMSMZXDW-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242160;MM242160;CCC(C)(C)C(=O)COC;IUWHHIZRVAGYIO-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242161;MM242161;C=C(COC)C(C)(N)CC;JDJHPLJDHNVUEO-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242162;MM242162;C=C(COC)C(C)(N)CN;YJCDOHUJZBVOIN-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242163;MM242163;C=C(COC)C(C)(N)CO;WTRAMLUHYVTSRL-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242164;MM242164;COCC(=O)C(C)(O)CO;AKYRDVYKEYKZKQ-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242165;MM242165;C=C(COC)C(C)(F)CC;LAJQQUILPNOEPS-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242166;MM242166;C=C(CCN)C(C)(C)NC;JJMRYIXHULAUCQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242167;MM242167;C=C(CCF)C(C)(C)NC;VCQHMQMDTGCPJM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242168;MM242168;CCCC(=O)C(C)(C)NC;BOZHGJLUBWWABM-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242169;MM242169;CNC(C)(C)C(=O)CCO;PZETZJRDGVWDBZ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242170;MM242170;CNCC(=O)C(C)(C)NC;USQPGMPDBXKMRL-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242171;MM242171;C=C(COC)C(C)(C)NC;LBDLMWMSNISNAN-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242172;MM242172;C=C(CCC)C(C)(C)OC;PMXPBRXFLHFQJX-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242173;MM242173;C=C(CCF)C(C)(C)OC;FQXLNPMHJKEOHJ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242174;MM242174;C=C(COC)C(C)(C)OC;HMKTWZSBWAPWPI-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242175;MM242175;CCNC(=N)C(C)(C)CC;RSKQVGDNQBWODK-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242176;MM242176;CCNC(=O)C(C)(C)CN;SDYOQWNQOQNURG-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242177;MM242177;CCNC(=N)C(C)(N)CO;CPBARMAZKMMLJZ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242178;MM242178;CCNC(=N)C(C)(O)CO;CZIAYDRGGPPUIA-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242179;MM242179;CCNC(=O)C(C)(O)CO;SVDKEZJBZSAKEP-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242180;MM242180;CCC(C)(C)C(=N)NNC;RUMOQPNUZSXJCA-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242181;MM242181;CNNC(=N)C(C)(C)CN;IIEZRNRFAABLCE-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242182;MM242182;CNNC(=N)C(C)(C)CO;CMIUVCRDLGYTPU-UHFFFAOYSA-N;145.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242183;MM242183;CNNC(=O)C(C)(C)CN;UHNVPXPNFCFWIK-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242184;MM242184;CNNC(=N)C(C)(N)CO;YXKBORVNMCVMFW-UHFFFAOYSA-N;146.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242185;MM242185;CNNC(=O)C(C)(O)CN;KMEDNWNMBABFAE-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242186;MM242186;CN(N)C(=O)C(=N)NO;KSSISPDUKOYOIH-UHFFFAOYSA-N;132.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242187;MM242187;CCC(C)(C)C(=N)NOC;KTQHBAVQJNYOKH-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242188;MM242188;CONC(=N)C(C)(C)CN;SFLLEPFOZDZMQQ-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242189;MM242189;CONC(=N)C(C)(C)CO;GMTJDEIPVNRPRD-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242190;MM242190;CCC(C)(N)C(=N)NOC;JUIJKPRRHNMTGM-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242191;MM242191;C=NNCC(C#N)=NO;XFLGVYNLVDLJCJ-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242192;MM242192;CCC(C)(F)C(=N)NOC;KBUWPGXKNUTNIO-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242193;MM242193;CC(=NN)C(C)(C)C(=O)O;QZFRKEHHNLGHIU-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242194;MM242194;CNNC(=N)C(C)(C)NC;JLNRMDJEVNYNCO-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242195;MM242195;CNNC(=O)C(C)(C)NC;VWUXIEOPTRVAPB-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242196;MM242196;CNC(C)(C)C(=N)NOC;NNLAEHOMXQFATQ-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242197;MM242197;CCNC(=N)C(C)(C)OC;ORKOEXDOADOBHK-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242198;MM242198;CCNC(=O)C(C)(C)OC;OCOUWTNVXTWGSY-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242199;MM242199;C=C(OCC)C(C)(C)CN;FRANARUOSZSUGP-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242200;MM242200;CCOC(=O)C(C)(C)CC;YKDCATRNPVJHMY-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242201;MM242201;CCOC(=O)C(C)(C)CN;RYKWAKCJLTYPCV-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242202;MM242202;C=C(OCC)C(C)(N)CC;ZQFNJDOLTUUIHL-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242203;MM242203;C=C(OCC)C(C)(N)CN;PCBBJJWLVYUPRG-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242204;MM242204;C=C(OCC)C(C)(O)CC;KKRXIASDTCNSRY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242205;MM242205;CCOC(=O)C(C)(O)CC;KIYWRWLZHQZKKD-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242206;MM242206;CCOC(=O)C(C)(O)CO;CSAJBPPQDTYLCZ-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242207;MM242207;C=C(OCC)C(C)(F)CN;GIEOLZJLBXBWLB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242208;MM242208;CCOC(=O)C(C)(F)CF;MRMWOAGKIFFRMT-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242209;MM242209;C=C(OCC)C(F)(F)CO;NPQWBHQCDCSJAX-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242210;MM242210;C=C(OCC)C(C)(C)NC;AKAONKOXGXDNHK-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242211;MM242211;C=C(OCC)C(C)(C)OC;HWYVUKMHDCTOIZ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242212;MM242212;CCOC(=O)C(C)(C)OC;WVPMEZSWYJEBNP-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242213;MM242213;C=CCC(=C)C(C)(C)CC;RUJMUTPEYTUBSR-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242214;MM242214;C=C(CC=O)C(C)(C)CC;HUBVSJPYYBHULA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242215;MM242215;C=C(CC#N)C(C)(C)CC;FBRJYJQRRPZLCJ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242216;MM242216;C=CCC(=C)C(C)(C)CN;MZJTUUJWRAQOQW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242217;MM242217;CC(=NOCC=O)NO;OAFWTZTXSCZBBZ-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242218;MM242218;CCC(O)C=CC=NN;RHOQSDHYUMGKCT-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242219;MM242219;C=C(CC=O)C(C)(C)CF;DLESTBDNPXTZHW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242220;MM242220;C=C(CC#N)C(C)(C)CF;JRPZPEWANKZDPR-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242221;MM242221;C=CCC(=O)C(C)(C)CC;OERKWXPBACPITJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242222;MM242222;C=CCC(=O)C(C)(C)CF;QBNQVDPRLDSOLC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242223;MM242223;C=CCC(=C)C(C)(N)CC;PVGZSAZURXDBGH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242224;MM242224;C=CCC(=C)C(C)(N)CF;NTCQSPUESAQRTK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242225;MM242225;CON=C(CCF)NO;VMLXWEGTGVVQFB-UHFFFAOYSA-N;136.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242226;MM242226;C=C(CC=O)C(C)(O)CC;BPRQFSNCXIAKOE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242227;MM242227;CC(O)(CO)C(=O)CC#N;MBJIMVYROVCUIE-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242228;MM242228;C=C(CC=O)C(C)(C)NC;JCHVYDMLPCDTSJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242229;MM242229;C=CCC(=O)C(C)(C)NC;OXUYGXXRTLMMFA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242230;MM242230;C=CCC(=O)C(C)(C)OC;KAPDXERPUHFUGO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242231;MM242231;COC(C)(C)C(=O)CC#N;BQCMRDLSZLOXIP-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242232;MM242232;C=C(NC=N)C(C)(C)CC;ZOCFKYPAZGWLFK-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242233;MM242233;CCC(C)(C)C(=N)NC=N;XGDYGDRJHNDCCA-UHFFFAOYSA-N;141.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242234;MM242234;C=CCC(=NOC)NO;DLRWNUZKDPDPHQ-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242235;MM242235;CC(C)(CN)C(=N)NC=O;FSICMNDJLOUGAQ-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242236;MM242236;C=CNC(=N)C(C)(C)CO;VTDYOORQRFCUPR-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242237;MM242237;CNN=C(NO)C(C)=O;LWBFEBIEOHGFTF-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242238;MM242238;C=CNC(=O)C(C)(C)CC;XBKWWVRIDWZDPM-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242239;MM242239;CCC(C)(C)C(=O)NC=O;SXMQTPRTHACNFI-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242240;MM242240;CC(C)(CN)C(=O)NC=N;YLWKMEVAGGNWKY-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242241;MM242241;CC(C)(CN)C(=O)NC=O;OAITVUZAHULINC-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242242;MM242242;C=C(NC=N)C(C)(N)CN;KENULOQQDSNTKV-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242243;MM242243;C=CNC(=N)C(C)(N)CN;NKCMKNNMICZIQN-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242244;MM242244;C=CNC(=N)C(C)(N)CO;IWHJVAHZSAGRIQ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242245;MM242245;CC(N)(CO)C(=N)NC=N;OEDROTSEANZFLL-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242246;MM242246;CC(N)(CF)C(=N)NC=N;YWLBFRBFXLKKHI-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242247;MM242247;C=C(NC=N)C(C)(O)CN;RLFQOOJCNMTYKV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242248;MM242248;CCC(C)(O)C(=N)NC=N;SPAJNBYYAXPAHD-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242249;MM242249;CCC(C)(O)C(=N)NC=O;ZPNAFGNJQNFSOI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242250;MM242250;C=CNC(=N)C(C)(O)CN;TZAGVKMMILJUOJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242251;MM242251;CC(O)(CN)C(=N)NC=N;ZOOVNQFVOPNRBK-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242252;MM242252;C=CNC(=N)C(C)(O)CF;GMZXKYIFBIRPCQ-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242253;MM242253;CC(O)(CF)C(=N)NC=N;IZCQFLLNMOWVFG-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242254;MM242254;CCC(C)(O)C(=O)NC=N;AKSCLJYJKUJVSQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242255;MM242255;C=CNC(=O)C(C)(O)CO;WLUUDSUPKIULIO-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242256;MM242256;CC(O)(CO)C(=O)NC=N;OMJDWCOAMJLLSC-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242257;MM242257;CC(O)(CO)C(=O)NC=O;YVLNPXUDTMUOLC-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242258;MM242258;C=CNC(=O)C(C)(O)CF;SSPWNWUGQJMVOJ-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242259;MM242259;CC(O)(CF)C(=O)NC=O;KPOGKYAKWIMCCW-UHFFFAOYSA-N;149.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242260;MM242260;C=C(NC=N)C(C)(F)CF;CVVNESOXJSLDOY-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242261;MM242261;CC(F)(CF)C(=N)NC=N;XNOLWCCGDCDXJY-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242262;MM242262;CC(F)(CF)C(=N)NC=O;OMKKGHIKPNJQFO-UHFFFAOYSA-N;150.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242263;MM242263;CC(F)(CF)C(=O)NC=N;QYMJRLHYUYOOGW-UHFFFAOYSA-N;150.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242264;MM242264;Nc1[nH]c(CF)cc1F;AFGDPEFIPNHSNI-UHFFFAOYSA-N;132.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242265;MM242265;C=NNC(=O)C(C)(N)CN;WSVQZQZJGBLOID-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242266;MM242266;CCCC1CN(O)C=N1;WDHRXPCSPDDYEP-UHFFFAOYSA-N;128.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242267;MM242267;N#CCC1CN(O)C=N1;JGGVBDXPCMNPHS-UHFFFAOYSA-N;125.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242268;MM242268;C=NNC(=O)C(C)(O)CC;USCNASNDZXFMBX-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242269;MM242269;C=NNC(=O)C(C)(O)CN;XGSXCHUIQXRRKV-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242270;MM242270;C=NNC(=O)C(F)(F)CF;CRRWRJQHWLGFDP-UHFFFAOYSA-N;154.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242271;MM242271;C=CNC(=N)C(C)(C)NC;TYOHCWTWDSXOPU-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242272;MM242272;CNC(C)(C)C(=N)NC=N;XBKNLVAVRFAEMI-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242273;MM242273;C=CNC(=O)C(C)(C)NC;NLRTWJYODJFBRL-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242274;MM242274;C=C(NC=N)C(C)(C)OC;LQZQFMKNGKTDGR-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242275;MM242275;C=C(NC=O)C(C)(C)OC;OQAWRZNWKRAPMW-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242276;MM242276;C=COC(=C)C(C)(C)CC;YDERAAALGXQILG-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242277;MM242277;C=COC(=C)C(C)(C)CN;LIXJPLIFNYKBFF-UHFFFAOYSA-N;141.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242278;MM242278;C=COC(=C)C(C)(C)CO;IECYCDGIOFSFKD-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242279;MM242279;C=COC(=O)C(C)(C)CC;ABTUOFDRTJEXOY-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242280;MM242280;C=COC(=O)C(C)(C)CO;ZVEGUKFFMAMCCR-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242281;MM242281;C=COC(=C)C(C)(N)CC;HXPPRHCBDIWZOK-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242282;MM242282;C=COC(=C)C(C)(N)CN;HFDAXGFBSPBKFQ-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242283;MM242283;C=C(OC=O)C(C)(N)CO;GQZGCXHXWTWVIM-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242284;MM242284;C=COC(=O)C(C)(N)CN;FGNRXWFBKARRQD-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242285;MM242285;C=COC(=C)C(C)(O)CC;UKHBXNWCKVERPF-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242286;MM242286;C=C(OC=O)C(C)(O)CF;RLJFLROFUOBQJU-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242287;MM242287;C=COC(=O)C(C)(O)CC;NQOMQDRVHUINSQ-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242288;MM242288;C=COC(=C)C(F)(F)CO;RLURLSHZOJCCKT-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242289;MM242289;C=NOC(=O)C(C)(C)CN;XSSFWWXOXMPCRM-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242290;MM242290;C=NOC(=O)C(C)(O)CN;OTKFKNZQSNIOFK-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242291;MM242291;C=NOC(=O)C(C)(O)CO;JYLBRKRNVQATPJ-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242292;MM242292;C=NOC(=O)C(C)(O)CF;VAWVTXCIBPWBAP-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242293;MM242293;C=COC(=C)C(C)(C)NC;PGEVFPDHBZWJIR-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242294;MM242294;C=COC(=C)C(C)(C)OC;OYWRJARXALEHBL-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242295;MM242295;C=C(OC=O)C(C)(C)OC;NCXHPVUTERCBET-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242296;MM242296;C=COC(=O)C(C)(C)OC;LOKXRYZKWSGBOQ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242297;MM242297;C#CCC(=C)C(C)(C)CC;JTSVDBPXSWDGGN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242298;MM242298;C#CCC(=C)C(C)(C)CN;FNAOSUKJSRMGBD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242299;MM242299;C#CCC(=O)C(C)(C)CC;ZDTKIPLZDCHGTH-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242300;MM242300;C#CCC1CN(O)C=N1;KKDQKOUSWBGMAQ-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242301;MM242301;C#CCC(=O)C(C)(O)CO;INUWMGOJJRHXGL-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242302;MM242302;C#CCC(=C)C(C)(C)NC;JWWRPJNKKSIWDY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242303;MM242303;C#CCC(=C)C(C)(C)OC;PVUIVTIKQGDKRF-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242304;MM242304;C#CCC(=O)C(C)(C)OC;JLAYMZGXXVMNJB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242305;MM242305;C=CC(C)(C)C(=C)CCC;VFHWHPSMDSMDFJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242306;MM242306;C=C(CCC)C(C)(C)C=O;FAAGJNAPAYTLFP-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242307;MM242307;C=C(CCF)C(C)(C)C=O;GAVISWVYMDSQQZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242308;MM242308;C=CC(C)(C)C(=O)CCO;IQMUWAXCOZMYNF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242309;MM242309;C=CC(C)(C)C(=O)CCF;IDRKUODOWSRUPI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242310;MM242310;C=CC(C)(N)C(=C)CCN;VLHUOUYSISWRPB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242311;MM242311;C=CC(C)(N)C(=C)CCF;BJPZUMCPVHNNDS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242312;MM242312;C=C(CCF)C(C)(O)C#N;PVLYZKJXDVMTBA-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242313;MM242313;CCCC(=O)C(C)(O)C#N;OYPYQPZNZJBKHE-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242314;MM242314;CC(O)(C#N)C(=O)CCO;DRMNQFKEWVGAOF-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242315;MM242315;C=CC(C)(F)C(=O)CCC;ZIQZEZLCTJDLBD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242316;MM242316;O=CC(F)(F)C(=O)CCO;JAWNEXOELJRXBW-UHFFFAOYSA-N;152.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242317;MM242317;N#CC(F)(F)C(=O)CCO;JSPMPRFLCBACQB-UHFFFAOYSA-N;149.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242318;MM242318;C=CC(C)(C)C(=C)CNC;CHTCXJHIJIMHRM-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242319;MM242319;C=CC(C)(C)C(=O)CNC;JMJUFYOCJHSOJM-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242320;MM242320;C=C(COC)C(C)(C)C=O;XXLMLSVHHGWPBN-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242321;MM242321;COCC(=O)C(C)(C)C#N;YFPISRYAKUHJRM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242322;MM242322;C=CC(C)(N)C(=C)COC;LUGDXUGNRHYIOB-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242323;MM242323;COCC(=O)C(C)(F)C=O;HGCIEHGRNZXKKI-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242324;MM242324;COCC(=O)C(F)(F)C#N;MDQSGHYDIYITNF-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242325;MM242325;CC#CC1CN(O)C=N1;RHDZFYIYZRYJMT-UHFFFAOYSA-N;124.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242326;MM242326;CCNC(=O)C(C)(C)C#N;CMBBJWBYIJOCJK-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242327;MM242327;CCNC(=N)C(C)(O)C#N;KZQFZUVQOSWKQI-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242328;MM242328;CCNC(=O)C(C)(O)C=O;PXMWLLUIUFHRIX-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242329;MM242329;CCNC(=O)C(C)(F)C#N;CVQQAVQBZIYONL-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242330;MM242330;CCNC(=O)C(F)(F)C#N;WZQCZMVEOPNRPN-UHFFFAOYSA-N;148.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242331;MM242331;C=CC(C)(N)C(=N)NNC;WFISOHHAEOPMPS-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242332;MM242332;C=CC(C)(O)C(=N)NNC;OTLNMSODJWPMFZ-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242333;MM242333;CNC(=O)C(=NN)NN;NKNZLIVBSNLKRK-UHFFFAOYSA-N;131.14;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242334;MM242334;CNNC(=O)C(C)(O)C=O;SDOFZNASFHASJM-UHFFFAOYSA-N;146.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242335;MM242335;C=CC(C)(C)C(=N)NOC;IPVCKYNNDNBORO-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242336;MM242336;Cn1[nH]n(O)c(=N)c1=O;CPHTTYOJPYVPFN-UHFFFAOYSA-N;130.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242337;MM242337;CCC(=NOC=O)NO;AWOMSIQUFTZVQB-UHFFFAOYSA-N;132.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242338;MM242338;CCC(=O)C(C)CC(=O)O;OSYHNMCMWCWLCT-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242339;MM242339;CCC(CC(=O)O)C(C)=O;QGEOTLQCGAMADT-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242340;MM242340;CON=C(N)C(C)(F)C=O;KTMHYXFYWLKWBU-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242341;MM242341;CC(C)(CC=O)CC(=O)O;CIBRWFVOWKXEFX-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242342;MM242342;Cc1oc(=O)n(O)c1O;FUNMQLMVZYKRPJ-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242343;MM242343;C=CC(C)(C)C(=C)OCC;NZBNHBLEDJGDPC-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242344;MM242344;C=C(OCC)C(C)(C)C=O;QZXFMVOHPZJQSM-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242345;MM242345;C=C(OCC)C(C)(C)C#N;PGLPFZVHSJHFHE-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242346;MM242346;CCOC(=O)C(C)(C)C=O;UZVRCQLCLZZCOG-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242347;MM242347;CCOC(=O)C(C)(C)C#N;FYGRPGOHQCPZCV-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242348;MM242348;C=CC(C)(N)C(=C)OCC;RZIYMCFHHXKGEZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242349;MM242349;C=CC(C)(O)C(=C)OCC;QLYHNSVAMKYZQC-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242350;MM242350;C=C(OCC)C(C)(O)C#N;IRUSXOQJHIVELO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242351;MM242351;C=CC(C)(O)C(=O)OCC;UNSIKXJBHRTIOD-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242352;MM242352;CCOC(=O)C(C)(O)C=O;YTSXITCXWZGVEI-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242353;MM242353;C=CC(C)(F)C(=O)OCC;QHEOPVHNGGUBNI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242354;MM242354;CCOC(=O)C(C)(F)C#N;MWVAPPBSPFTOGL-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242355;MM242355;C=CCC(=C)C(C)(C)C=C;LHDFUCFTNKMQLP-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242356;MM242356;C=CC(C)(C)C(=C)CC=O;LRAKASDQHYRDPU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242357;MM242357;C=CC(C)(C)C(=C)CC#N;RBSACIZBAWHXTH-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242358;MM242358;C=CCC(=C)C(C)(C)C=O;CPASDQXHDZXBSO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242359;MM242359;C=C(CC=O)C(C)(C)C#N;ZKGZFBYKGCQBOR-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242360;MM242360;C=CCC(=O)C(C)(C)C=O;DZJAXNSUKMDKCU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242361;MM242361;C=CCC(=O)C(C)(C)C#N;JIZQAHKXJCDBKV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242362;MM242362;CC(C)(C=O)C(=O)CC#N;XDUIAKFFYSAWSP-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242363;MM242363;C=CCC(=C)C(C)(N)C=C;SLQUXRHDRIHAAO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242364;MM242364;CC12CC1C(NO)=NO2;AUPJQPWYORARFB-UHFFFAOYSA-N;128.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242365;MM242365;C=CC(C)(O)C(=C)CC=O;OBWLGLAZSLJZQF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242366;MM242366;CC(O)(C#N)C(=O)CC#N;RRJGPUBAISYYKI-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242367;MM242367;C=CCC(=O)C(C)(F)C=C;QNRKKRLEXKDALX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242368;MM242368;C=C(N=CN)C(C)(C)C=O;HWACXYWMXFYFSH-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242369;MM242369;C=CC(C)(C)C(=N)NC=N;XCYZWFDTKTXMBJ-UHFFFAOYSA-N;139.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242370;MM242370;CCC1CC(NO)=NO1;PYCTTYRYYDRETG-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242371;MM242371;C=CC(C)(N)C(=C)NC=O;FMXZQFXARDTNNO-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242372;MM242372;C=CC(C)(N)C(=N)NC=N;QKNOMPCWPWRQQM-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242373;MM242373;C=CC(C)(O)C(=C)NC=O;DERCOGALCUCNFY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242374;MM242374;C=C(NC=O)C(C)(O)C=O;WCKHMRGPXWYFNH-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242375;MM242375;C=CC(C)(O)C(=N)NC=N;QQLOZZNFFTWTJK-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242376;MM242376;C=CC(C)(O)C(=N)NC=O;OTSTWHBITGQKTM-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242377;MM242377;C=CNC(=N)C(C)(O)C=O;DVXJEODKIDHOHX-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242378;MM242378;C=CC(C)(O)C(=O)NC=N;RVLVZQDRWSSOMK-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242379;MM242379;C=CC(C)(O)C(=O)NC=O;NVYNICKQLKVFCI-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242380;MM242380;C=CNC(=O)C(C)(O)C=O;OCHIVAOOWROZTJ-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242381;MM242381;C=C(NC=N)C(C)(F)C#N;URCYBMQFSRPSHG-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242382;MM242382;C=CNC(=O)C(C)(F)C=O;GTXKJOSLESQPSF-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242383;MM242383;C=CNC(=O)C(F)(F)C=O;DYVZQEATPVZALV-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242384;MM242384;C=CNC(=O)C(F)(F)C#N;PJGFPFGEUCKDSG-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242385;MM242385;C=CC(C)(O)C(=O)NN=C;NVFICBQPBRISLH-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242386;MM242386;C=NNC(=O)C(F)(F)C#N;ZEJFMAONIOWYST-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242387;MM242387;C=COC(=C)C(C)(C)C=O;BMLRLPNCHTZVQG-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242388;MM242388;C=COC(=C)C(C)(C)C#N;GPAADFZPVQGPKT-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242389;MM242389;C=COC(=O)C(C)(C)C=O;ZTOOLJHOINTGBR-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242390;MM242390;C=COC(=O)C(C)(C)C#N;JXZPDVNOUJUWBT-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242391;MM242391;C=COC(=C)C(C)(N)C=C;IZQRQGKTWNIILB-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242392;MM242392;C=CC(C)(N)C(=C)OC=O;WJPBBWLSRBIJKX-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242393;MM242393;C=COC(=C)C(C)(O)C=C;BVDZLLAJSBVZSV-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242394;MM242394;C=COC(=C)C(C)(O)C=O;JXQKMGUFGFQRLF-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242395;MM242395;C=COC(=O)C(C)(O)C=C;YPZCAPDYWVGWFM-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242396;MM242396;C=COC(=C)C(C)(F)C#N;RIQSSASIUWACLI-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242397;MM242397;C=COC(=O)C(C)(F)C=C;ZZIKPOQYVTWUCZ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242398;MM242398;C=COC(=O)C(C)(F)C#N;LOVGJWODRWVLGB-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242399;MM242399;C=COC(=O)C(F)(F)C#N;FLLZYKLMFJCWIQ-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242400;MM242400;C=CC(C)(O)C(=O)ON=C;XAKRGHFOGBTJRP-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242401;MM242401;C=CC(C)(F)C(=O)ON=C;QLOSTPOWWWSQFY-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242402;MM242402;C=NOC(=O)C(F)(F)C#N;OYRYOAFQZMMFKM-UHFFFAOYSA-N;148.07;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242403;MM242403;C#CCC(=C)C(C)(C)C=C;BTVIQVJHMRWDFL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242404;MM242404;C#CCC(=C)C(C)(O)C=O;WXKVRCPCHJQNEZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242405;MM242405;C#CCC(=O)C(F)(F)C=O;YJUJKMTZAYXFCV-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242406;MM242406;C#CC(C)(C)C(=C)CCN;LPLNIPCHXNYFCM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242407;MM242407;C#CC(C)(C)C(=O)CCF;YQYQCTKFPMBSIA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242408;MM242408;C#CC(C)(N)C(=C)CCC;POHKKZNOVPKBCD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242409;MM242409;C#CC(C)(N)C(=C)CCN;NWQFBFNNVRJPCD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242410;MM242410;C#CC(C)(N)C(=C)CCF;LCQFQXFGOYXZCK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242411;MM242411;C#CC(C)(O)C(=C)CCC;WEVZEVVQRNWKAB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242412;MM242412;C#CC(C)(O)C(=C)CCF;KNGXYVXLGMOHQD-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242413;MM242413;C#CC(C)(O)C(=O)CCO;GDWGGAGFKHCEEC-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242414;MM242414;C#CC(C)(F)C(=O)CCF;DWVXVWMPHSXYQB-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242415;MM242415;C#CC(C)(C)C(=N)NCC;IHVPHZICDGAKOP-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242416;MM242416;C#CC(C)(F)C(=N)NNC;XQPFYBVVUOWFIU-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242417;MM242417;C#CC(C)(F)C(=O)NNC;OJXJWRCKLNRGTK-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242418;MM242418;O=c1[nH]c(O)c(O)n1O;IOKRRQZBRKMRDR-UHFFFAOYSA-N;132.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242419;MM242419;C#CC(C)(C)C(=O)OCC;ZIOOOGZVOREKTG-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242420;MM242420;C#CC(C)(O)C(=C)OCC;YBRXSIHXBMFCCG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242421;MM242421;C#CC(C)(F)C(=O)OCC;QQRHCEPHYUKJBI-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242422;MM242422;C#CC(C)(C)C(=C)CC=C;OLVRMSPBMOKACV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242423;MM242423;C#CC(C)(C)C(=C)CC#N;UCAJWVIFOISSQJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242424;MM242424;C#CC(C)(C)C(=O)CC=C;OPTKBGWSHBHOQC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242425;MM242425;C#CC(C)(N)C(=C)CC=C;SFTPDJUMJIDWAZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242426;MM242426;C#CC(C)(O)C(=C)CC=C;ALAKKNYXPJCLFG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242427;MM242427;C#CC(C)(C)C(=C)NC=N;GODYRVCSINZCRZ-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242428;MM242428;C#CC(C)(C)C(=C)NC=O;JNPULBKMWIAWJT-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242429;MM242429;C#CC(C)(C)C(=N)NC=N;YQPFXVUFPXNAGS-UHFFFAOYSA-N;137.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242430;MM242430;C#CC(C)(O)C(=N)NC=O;QAVBNAOXFJXVPC-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242431;MM242431;C#CC(C)(O)C(=O)NC=O;RNRKXGSYDSMPJP-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242432;MM242432;C#CC(C)(F)C(=C)NC=N;AOSPERWYBFPSQW-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242433;MM242433;C#CC(C)(F)C(=C)NC=O;NNIPTVOMNALESA-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242434;MM242434;C#CC(C)(F)C(=N)NC=C;GWTZMLBLOPXMNE-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242435;MM242435;C#CC(C)(F)C(=O)NC=C;CMHIDRMPEGFOPH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242436;MM242436;COc1c[nH]c(N=N)c1;JYAHSPCBXGORTJ-UHFFFAOYSA-N;125.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242437;MM242437;C#CC(C)(F)C(=O)NN=C;QXRFHHWABJXBGS-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242438;MM242438;C#CC(C)(C)C(=C)OC=C;RJINAJIDRLWEIK-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242439;MM242439;C#CC(C)(C)C(=O)OC=C;DYUBBEQTVCIUKM-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242440;MM242440;C#CC(C)(O)C(=C)OC=C;GIMAYCHJTAUJCY-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242441;MM242441;C#CC(C)(F)C(=C)OC=O;XAUTXQMLBVELMU-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242442;MM242442;C#CC(C)(F)C(=O)OC=C;NLONWCVJMWQUCQ-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242443;MM242443;C#CC(F)(F)C(=O)OC=C;DTWNGNSEEBBYKQ-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242444;MM242444;C#CC(C)(C)C(=O)ON=C;GAANQWFCQPCXGA-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242445;MM242445;C#CC(C)(F)C(=O)ON=C;SHMSEBPNFZOGQH-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242446;MM242446;C#CCC(=C)C(C)(C)C#C;VTYACTUXCOIIFN-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242447;MM242447;C#CCC(=C)C(C)(N)C#C;IBGRXYCWYVHNSF-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242448;MM242448;C#CCC(=C)C(C)(O)C#C;ZTXCVNFCFLCYSB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242449;MM242449;CC=CC(C)C(C)(C)CC;QHGLUXMQNNPIQM-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242450;MM242450;CCC(C)(C)C(C)C=CF;XPLORRHZBNLLRR-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242451;MM242451;CC=CC(C)C(C)(C)CN;JHSGEEJFHXYRFJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242452;MM242452;CC(C=CF)C(C)(C)CN;WTRFQYMVFVNQRC-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242453;MM242453;CCC(C)(C)C(N)C=CF;IOIKKFJLMZAKRX-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242454;MM242454;CC=CC(N)C(C)(C)CN;KDOSLGGHFRGPRC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242455;MM242455;CC=CC(N)C(C)(C)CF;QDIRLDQPAITFSE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242456;MM242456;CC(C)(CF)C(N)C=CF;ZBOHMZKOUXSRID-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242457;MM242457;CC(C)(CO)C(O)C=CF;FJHNCFOOLLQAMQ-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242458;MM242458;CC=CC(C)C(C)(N)CC;QWKJYHASXVKKRX-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242459;MM242459;CCC(C)(N)C(C)C=CF;ORUYTBLPQGKCQZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242460;MM242460;CC(C=CF)C(C)(N)CF;ACJCGVHVTFSOPR-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242461;MM242461;CC=CC(N)C(C)(N)CC;BRYQLTHXCDIJQP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242462;MM242462;CC=CC(N)C(C)(N)CO;VCWAVPJSZZSJJV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242463;MM242463;CC(N)(CF)C(N)C=CF;QQPNHRUZHHZEIB-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242464;MM242464;CC(N)(CN)C(O)C=CF;QDTFSIZHTVGRMR-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242465;MM242465;CC=CC(F)C(C)(N)CC;HSEFDUCTXIVBIF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242466;MM242466;CC=CC(F)C(C)(N)CN;YGUVMFIMVGTFHC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242467;MM242467;CN=C1CCN(O)C=N1;XSRYYGZOORKKPL-UHFFFAOYSA-N;127.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242468;MM242468;CC=CC(C)C(C)(O)CN;GSXCUMLZYHSLMX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242469;MM242469;CC=CC(N)C(C)(O)CC;AUMOVZWPZABMMQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242470;MM242470;CCC(C)(O)C(O)C=CF;GKOXGZJGSXONFW-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242471;MM242471;CC(O)(CO)C(O)C=CF;JCBCPRQKVPWRQE-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242472;MM242472;CC=CC(F)C(C)(O)CN;XQAWRBMHGDXLAB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242473;MM242473;CC=CC(C)C(C)(F)CN;LFHHUNIQZFFZNQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242474;MM242474;CC(C=CF)C(C)(F)CN;STOQCURJKVCJLT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242475;MM242475;CC=CC(N)C(C)(F)CC;RZGJPDPVAFAOIO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242476;MM242476;CCC(C)(F)C(N)C=CF;YNVJRXNENRGFGR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242477;MM242477;CC=CC(N)C(C)(F)CN;LBBRQMSNNJXAFC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242478;MM242478;CC=CC(O)C(C)(F)CO;VZQICGSEIYOBPZ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242479;MM242479;CC=CC(O)C(F)(F)CO;FWJZLLPYKOVFOQ-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242480;MM242480;CCC(C)(C)C(C)C=NO;QJWPUEYDADQPOU-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242481;MM242481;CC(C=NO)C(C)(C)CN;OKJNCJVFCQKECI-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242482;MM242482;CC(C=NO)C(C)(C)CF;GEXLHABKSJOXIJ-UHFFFAOYSA-N;147.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242483;MM242483;CCC(C)(C)C(N)C=NO;VNIUZLRXAQDFTP-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242484;MM242484;NN=C1CCN(O)C=N1;KJLAZZWKIBICKE-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242485;MM242485;CC(C)(CN)C(O)C=NO;FIYUIDWWPPGOHL-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242486;MM242486;NN=CC=NN=CCO;SEGMHYVGMUAQTI-UHFFFAOYSA-N;128.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242487;MM242487;CCC(C)(N)C(C)C=NO;AKJDSTCVKPSQDL-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242488;MM242488;CC(C=NO)C(C)(N)CN;XZDPTWZMLAWFEJ-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242489;MM242489;CON=C(NO)C(C)(C)C;HNRFSXIDPYXCNM-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242490;MM242490;CCC(C)(O)C(C)C=NO;ZSFQGYWHDASDSL-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242491;MM242491;C#CC(C)=NN(C)C(N)=O;RFUYGYQWYMBXBG-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242492;MM242492;CC(O)CNC(=O)N(C)N;CJFGNNKETSAVGH-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242493;MM242493;CC=COC=CCC(=O)O;NFUGSEJGSZUDQN-UHFFFAOYSA-N;142.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242494;MM242494;CCC(C)(F)C(C)C=NN;NCHXOZNRPPWHBS-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242495;MM242495;CN(C)N=CC(=N)N(C)O;RLHFSQYWFMAKPE-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242496;MM242496;C=CC(=CCC(=O)O)OC;YUCLKSBRQZKCMF-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242497;MM242497;CCC(F)(F)C(O)C=NN;OYULUFNBNGWMJU-UHFFFAOYSA-N;152.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242498;MM242498;C=C(C)OCCC(=O)O;NBGBANKOLFKWPJ-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242499;MM242499;CC=CC(C)C(C)(C)NC;NVTDSXQLPTZVTR-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242500;MM242500;CNC(C)(C)C(C)C=CF;IDUWDTLUXADFHS-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242501;MM242501;CNC(C)(C)C(N)C=CF;JLQPPCLYWOEBMK-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242502;MM242502;CNC(C)(C)C(O)C=CF;LZGMBUVOYPCNQM-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242503;MM242503;CNC(C)(C)C(C)C=NN;NCNBWHYEWCTUPU-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242504;MM242504;CNC(C)(C)C(C)C=NO;VFMORFNKWPEKAF-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242505;MM242505;CNC(C)(C)C(O)C=NN;GREGYYOTCHPYTP-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242506;MM242506;CC=CC(C)C(C)(C)OC;YYWXLGZMHMZALZ-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242507;MM242507;COC(C)(C)C(C)C=CF;LUPYCQBWVDXSAE-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242508;MM242508;COC(C)(C)C(O)C=CF;NYPLKBYTIRUSFB-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242509;MM242509;COC(C)(C)C(C)C=NN;HBUGNUBJVUQFOI-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242510;MM242510;C=NOC(=N)NC(=C)CO;FSXDWKBIXANASP-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242511;MM242511;CC=C(F)CN(O)C=NN;FZJLYVKYPYDWPN-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242512;MM242512;NN=CN(O)CC(F)=CF;QMQJHZDKIUKJHI-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242513;MM242513;CC=NN(C)C(C)(C)CC;NKDZFOMOKBPBJV-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242514;MM242514;CC=NN(C)C(C)(C)CF;DYQSQDUYBWCUDI-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242515;MM242515;C=CC(C)(C)C(C)C=CC;CMYSHGUGOBXYEK-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242516;MM242516;C=CC(C)(C)C(C)C=CF;ZIDLWRLUDVCYDH-UHFFFAOYSA-N;142.22;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242517;MM242517;CC(C=CF)C(C)(C)C#N;ZQCSAEHMVZUMKE-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242518;MM242518;C=CC(C)(C)C(N)C=CC;OOTMLNMPIYDBGK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242519;MM242519;CC=CC(O)C(C)(C)C=O;HNSLJKUMRHKVCP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242520;MM242520;CC(C)(C=O)C(O)C=CF;LHTPZSQNFMUQRH-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242521;MM242521;CC=CC(F)C(C)(C)C=O;BTIIZRQZYVRWJZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242522;MM242522;C=CC(C)(N)C(C)C=CF;YHHMVEHUGKTUMH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242523;MM242523;C=CC(C)(N)C(N)C=CC;HVCUYYXQHPUUCM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242524;MM242524;C=CC(C)(N)C(F)C=CF;BUEBHFCIWSWAGN-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242525;MM242525;C=CC(C)(O)C(N)C=CC;UWSDOSHJQCDFCX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242526;MM242526;CC(O)(C=O)C(O)C=CF;RSBSKAXOIIJIEV-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242527;MM242527;CC=CC(C)C(C)(F)C=O;WSWJBGUFSOSMAG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242528;MM242528;CC(C=CF)C(C)(F)C#N;OUZUPIBDPHLKMC-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242529;MM242529;CC(F)(C#N)C(O)C=CF;LKGJYLICSBYBBD-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242530;MM242530;N#CC(F)(F)C(O)C=CF;BNWZPKFAQAZRFM-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242531;MM242531;C=CC(C)(C)C(C)C=NN;IRDDVPGLODWHQC-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242532;MM242532;C=CC(C)(C)C(C)C=NO;GTCMESJUIGJTCQ-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242533;MM242533;C=CC(C)(C)C(N)C=NO;BTSHRYGHTLDQJB-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242534;MM242534;C=C(F)CN(N)C(=O)NC;WZJIULPTMQKMCS-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242535;MM242535;C=CC(C)(C)C(O)C=NO;NKOVDLFZSHUGQK-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242536;MM242536;CON=C(CC(C)F)NO;RDQBMDYREDTAQC-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242537;MM242537;C=CC(C)(O)C(C)C=NO;BRNKAKNPHVOSEG-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242538;MM242538;CC(C=NO)C(C)(O)C#N;SPPYVULFAOAXOO-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242539;MM242539;C=C(F)CC(=NOC)NO;ZNTWAJGPORBNLJ-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242540;MM242540;CN(N)C(=NN)OC(N)=O;HSVUTOJCBRQJMR-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242541;MM242541;C=CC(F)(F)C(O)C=NN;LHRYLNJWYPDFDA-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242542;MM242542;C=COC(C)CC(=O)O;INBVCAZDHZVCHJ-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242543;MM242543;CC=COCCC(=O)O;WNWJEWBQWOFWEF-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242544;MM242544;C=CC(C)(C)N(C)C=NC;LSENSZFELWMXSB-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242545;MM242545;CC(N)=CC(=NN)N(C)O;VRJSKJQIUNJUHI-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242546;MM242546;NC(N)=CC=NN=CCO;DFFPBSCFLSAQRH-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242547;MM242547;C=CC(C)(C)N(N)C=NC;DYZLXWUPKBZJHP-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242548;MM242548;C#CC(C)(C)C(C)C=CF;WEYBEUWVALFQEB-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242549;MM242549;C#CC(C)(C)C(N)C=CC;LXZDUFMVXSXNNN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242550;MM242550;C#CC(C)(C)C(N)C=CF;MSGINLVOUNKCSL-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242551;MM242551;C#CC(C)(C)C(F)C=CC;VPBSVJPKQMYFRY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242552;MM242552;C#CC(C)(N)C(C)C=CF;AQBGMWAAIQTGQS-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242553;MM242553;C#CC(C)(F)C(C)C=CC;IABWNKLANNMBEY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242554;MM242554;C#CC(C)(F)C(C)C=CF;RCVIDCHSLKBEES-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242555;MM242555;C#CC(C)(C)C(C)C=NN;SMWAJNTWXPEFPA-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242556;MM242556;C#CC(C)(C)C(C)C=NO;GEDKNCMCGQPFHY-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242557;MM242557;CN=C(NO)C(=O)N(C)C;XKUPAGXTXCUBLW-UHFFFAOYSA-N;145.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242558;MM242558;C=CC(CC(=O)O)OC;NAMQOAHJIAAZCQ-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242559;MM242559;CN(O)C(=N)C(C#N)=CN;BJIAPWWJTABCBD-UHFFFAOYSA-N;140.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242560;MM242560;CCNN=CC(=N)N(C)O;YDLXQABFIZTMAW-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242561;MM242561;C#CC(C)(C)N(C)N=CC;MQHNFXJYFMXCKQ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242562;MM242562;C=C(C=CC)C(C)(C)CC;PGQCLGOYHZPXOC-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242563;MM242563;C=C(C=CF)C(C)(C)CN;GWXJGLUUJFIUDF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242564;MM242564;CCON=CC(=N)N(C)O;QOIULSMBADUVMG-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242565;MM242565;C=C(C=CC)C(C)(C)CF;FYHHFUQYYHOIDZ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242566;MM242566;CC=CC(=O)C(C)(C)CC;DFPZHPQSHVARTD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242567;MM242567;C=C(C=CC)C(C)(N)CC;XXAMUGAUODMISH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242568;MM242568;C=C(C=CF)C(C)(N)CF;JGEBSISWFXNSTG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242569;MM242569;CCN=CN=C(C)N(C)O;MHFPEDZEDPOMGX-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242570;MM242570;C=C(C=CF)C(C)(O)CC;DQCPCNADEYPPSO-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242571;MM242571;C=C(C=CC)C(C)(O)CN;VRZCAUBEOZEUAY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242572;MM242572;C=C(C=CC)C(C)(O)CO;LZGOPEBOBORMME-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242573;MM242573;CCC(C)(O)C(=O)C=CN;ROVDMLHXRZXELK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242574;MM242574;CC(O)(CO)C(=O)C=CN;QLBVCJDEJAWCAX-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242575;MM242575;C=C(C=CC)C(C)(F)CC;XWAUGUHXVQFHMJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242576;MM242576;C=C(C=CF)C(C)(F)CN;ACVPSPHHVAZOOJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242577;MM242577;CCC(C)(F)C(=O)C=CF;IGKNINSMJJHOGQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242578;MM242578;CC(F)(CO)C(=O)C=CF;WALIMMKSVHAZEW-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242579;MM242579;C=C(C=NN)C(C)(C)CC;IJANYPJBIXLYSZ-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242580;MM242580;C=NN=CN=C(C)N(C)O;OULCCELQVABOBH-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242581;MM242581;CCC(C)(C)C(=O)C=NO;NXALJVXDANHLQK-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242582;MM242582;C=C(C=NO)C(C)(N)CN;GRZNJORXKMBMMY-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242583;MM242583;C=C(C=NO)C(C)(N)CO;VSDBRCAIOLNJAP-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242584;MM242584;C=C(C=NO)C(C)(O)CC;JGPMRNNAIRSGQQ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242585;MM242585;C=C(C=NO)C(C)(O)CO;QCWWKNMBHVMYHQ-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242586;MM242586;C=C(C=NN)C(C)(F)CC;AQTRTFAJWJSINW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242587;MM242587;C=NOC(C)C(=C)C(C)O;APOBOBLNZLKPRE-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242588;MM242588;C=CCOCCC(=O)O;LBJZZFXUVYHXPH-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242589;MM242589;C=C(C=CF)C(C)(C)NC;ZRIQQBFBEWZKOM-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242590;MM242590;C=CC(C)(C)C(=C)C=CF;QZYMHQSAOHXGSI-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242591;MM242591;C=C(C=CC)C(C)(C)C#N;VUGHQQNVLOQDRG-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242592;MM242592;C=CC(C)(C)C(=O)C=CF;XOGXTMKEGIAXHW-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242593;MM242593;CC=CC(=O)C(C)(C)C#N;WATBDQHFUHTENT-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242594;MM242594;CC(C)(C=O)C(=O)C=CF;MMWDGPSTLSKVJG-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242595;MM242595;C=CC(C)(N)C(=C)C=CF;GZAZCSCSIPAQLD-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242596;MM242596;CNN=C(C=CN)N(C)O;UZFVFFYYNAFOOU-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242597;MM242597;C=C(C=CC)C(C)(O)C#N;CWMLPQUKBNLUKG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242598;MM242598;C=CC(C)(O)C(=O)C=CN;HKKVLFIUXBTQSB-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242599;MM242599;CC(O)(C=O)C(=O)C=CN;SPKPKWBBUNDNHX-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242600;MM242600;CC(O)(C#N)C(=O)C=CF;YTLIQBXOUVHCFC-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242601;MM242601;CC(F)(C=O)C(=O)C=CN;KJQXRVCUEBKBSN-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242602;MM242602;CC(F)(C#N)C(=O)C=CN;SHNFFCVPOBZXKH-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242603;MM242603;C=C(C=NO)C(C)(O)C=O;ZDMGUILQJQNSRE-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242604;MM242604;N#Cc1nc(O)n(O)n1;NUDYYKNXQRFRCW-UHFFFAOYSA-N;126.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242605;MM242605;CCC(CO)=C(C)C(=O)O;FTTFSNZCIQBMCS-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242606;MM242606;C#CC(C)(C)C(=C)C=CC;BVUXMXDKYOCXIW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242607;MM242607;C#CC(C)(C)C(=C)C=CF;MNTCVHWBAFNFPO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242608;MM242608;C#CC(C)(N)C(=C)C=CC;XAYKFOGADRPUEJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242609;MM242609;C#CC(C)(N)C(=C)C=CF;FNEAAAMBPITEBU-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242610;MM242610;C#CC(C)(O)C(=C)C=CC;AQNUTCBZVWDRLJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242611;MM242611;C#CC(C)(F)C(=C)C=CC;SCCUEGUYQHVJKL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242612;MM242612;C#CC(C)(F)C(=O)C=CN;MXBHZARWHQMMDY-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242613;MM242613;COn1cc(O)c(O)n1;KAJHHFLHCRFISM-UHFFFAOYSA-N;130.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242614;MM242614;CC#CC(C)C(C)(C)CC;NZUMJDUFSFTQKV-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242615;MM242615;CC#CC(C)C(C)(C)CN;GFKZPDBWTYESGV-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242616;MM242616;C=CC(F)(C=C)C(=N)NO;YSDNBEYHGIFFMO-UHFFFAOYSA-N;144.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242617;MM242617;CC#CC(C)C(C)(C)CF;LOCOMLGETBVAOL-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242618;MM242618;CC#CC(N)C(C)(C)CC;WIZMAYFHYCVBQW-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242619;MM242619;CC#CC(O)C(C)(C)CC;PCEJRBMMLAJMGZ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242620;MM242620;CC#CC(O)C(C)(C)CN;OFTKYBZMYRFVKR-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242621;MM242621;CC#CC(F)C(C)(C)CC;KDCFUVFDFZMSMU-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242622;MM242622;CC#CC(F)C(C)(C)CN;NCSOOAQKLWCYMV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242623;MM242623;CC#CC(C)C(C)(N)CC;VDPFPOIIUKWFTB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242624;MM242624;CC#CC(C)C(C)(N)CN;HXMINHHNGCZZDX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242625;MM242625;CC#CC(N)C(C)(N)CC;JHIOJUIIKFQWOL-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242626;MM242626;CC#CC(O)C(C)(N)CC;GUPDFPZFDUTUNK-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242627;MM242627;CC#CC(O)C(C)(N)CO;OEZTYMGRVBYGHG-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242628;MM242628;CC#CC(F)C(C)(N)CC;STWWTWPUJDCLRW-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242629;MM242629;CON=CC(C)(C=O)CO;SZEZGSAXAVETCI-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242630;MM242630;CC#CC(C)C(C)(O)CN;YJVPBGHUQUSZQN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242631;MM242631;CC#CC(N)C(C)(O)CF;ZGWBRTYXZLCGTK-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242632;MM242632;CC#CC(O)C(C)(O)CO;WXUXKDJEBQGFNB-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242633;MM242633;CC#CC(F)C(C)(O)CC;RBKOTYIGVNKKAA-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242634;MM242634;CC#CC(C)C(C)(F)CC;BDMRYAAHVHULFY-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242635;MM242635;CC#CC(C)C(C)(F)CN;NVAQONNUYZUPHH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242636;MM242636;CC#CC(C)C(C)(F)CO;CIHSSQKMPUCSGK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242637;MM242637;CC#CC(O)C(C)(F)CC;CXMBDOQGXPGHAI-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242638;MM242638;CC#CC(O)C(C)(F)CN;BRTWVIVGOJTUTN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242639;MM242639;CC#CC(C)C(C)(C)NC;XGZIHFMVZGNHAQ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242640;MM242640;CC#CC(O)C(C)(C)NC;MZJWSSVDHUQHSU-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242641;MM242641;CC#CC(C)C(C)(C)OC;MLNILFUOGFQEEJ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242642;MM242642;CC#CC(N)C(C)(C)OC;HTGAUAWNBJTTKW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242643;MM242643;CC#CC(O)C(C)(C)OC;LFLBQLBDAMLHMM-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242644;MM242644;C=CC(C)(C)C(C)C#CC;JRSCAYWWLAATSG-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242645;MM242645;CC#CC(C)C(C)(C)C=O;WGKNUGDDLQORSL-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242646;MM242646;CC#CC(C)C(C)(C)C#N;YMADDHMBGHGBBP-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242647;MM242647;C=CC(C)(C)C(N)C#CC;JYOICOYOYJBUCC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242648;MM242648;C=CC(C)(C)C(O)C#CC;ASGFHMTUYSIICP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242649;MM242649;CC#CC(O)C(C)(C)C=O;GAHMIIBJPBPNBB-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242650;MM242650;CC#CC(O)C(C)(C)C#N;HEVHEXSKTHBYEO-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242651;MM242651;C=CC(C)(C)C(F)C#CC;QJJPOPRZUKPGFV-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242652;MM242652;CC#CC(F)C(C)(C)C=O;CUXMHVNEWWKUKR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242653;MM242653;CC#CC(F)C(C)(C)C#N;BYLHJXRLSSHHEV-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242654;MM242654;C=CC(C)(N)C(C)C#CC;HQSXTNSNTIWXMQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242655;MM242655;C=CC(C)(N)C(O)C#CC;FSPKONLUBOXSDG-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242656;MM242656;CCN(O)C=NC(=O)CN;OWPJOIWLPLNDLG-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242657;MM242657;CC#CC(C)C(C)(O)C=O;JIBHQQAHVVGZMG-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242658;MM242658;CC#CC(C)C(C)(O)C#N;HNPQDAYSICKHGB-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242659;MM242659;C=CC(C)(O)C(O)C#CC;HIUAWPASZXVOMH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242660;MM242660;C=CC(C)(O)C(F)C#CC;DNONEJGTDGWZFW-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242661;MM242661;C=CC(C)(F)C(C)C#CC;SPXNRJNCMMWBPA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242662;MM242662;CC#CC(C)C(C)(F)C=O;JTZFGWCAOZHMBQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242663;MM242663;CC#CC(C)C(C)(F)C#N;LAYUUURDLFJXOZ-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242664;MM242664;CC#CC(O)C(C)(F)C#N;MVIDCPSEIRBWSG-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242665;MM242665;CC#CC(O)C(F)(F)C=O;RBLAZNLCLGHIPO-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242666;MM242666;CC#CC(O)C(F)(F)C#N;KIASMSDARATHAI-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242667;MM242667;C#CC(C)(C)C(C)C#CC;UTXPOQRHRWNZCV-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242668;MM242668;C#CC(C)(C)C(N)C#CC;ODPWDUWZFGNJQL-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242669;MM242669;C#CC(C)(C)C(O)C#CC;ZRCAOAUCYZLKBR-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242670;MM242670;C#CC(C)(C)C(F)C#CC;NDVLJDOSALJETG-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242671;MM242671;C#CC(C)(N)C(C)C#CC;XXZSMFCJAOBPOP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242672;MM242672;C#CC(C)(O)C(C)C#CC;LMOAZIKRYUNEPH-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242673;MM242673;C#CC(C)(O)C(F)C#CC;SSDUNVGINGKZTL-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242674;MM242674;C#CC(C)(F)C(C)C#CC;FXSOOWSFYCILJB-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242675;MM242675;C#CC(C)(F)C(O)C#CC;APCAQEFRQWHWLB-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242676;MM242676;C#CC(F)(F)C(O)C#CC;QKWKYNHGZPWHEV-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242677;MM242677;C=C(C#CC)C(C)(C)CC;XAHFPRGXFHWUFA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242678;MM242678;C=C(C#CC)C(C)(C)CN;OVXORKILVBQGIH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242679;MM242679;C=CC(=O)N=CN(O)CC;JVLSWYNSJBWRSB-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242680;MM242680;CC#CC(=O)C(C)(C)CC;YURGDLFWQGORQV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242681;MM242681;CC#CC(=O)C(C)(C)CO;PMUBERWAPAJAAA-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242682;MM242682;CC#CC(=O)C(C)(C)CF;GHORTJGKOCYAAR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242683;MM242683;C=C(C#CC)C(C)(N)CC;LKNIHPZSZCDLLD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242684;MM242684;C=C(C#CC)C(C)(N)CN;JRRJINDGBVECOC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242685;MM242685;C=C(C#CC)C(C)(N)CO;MSVNCMOMPQONAY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242686;MM242686;CCC1(C)CC(NO)=NO1;SVFQHYBMVOTADV-UHFFFAOYSA-N;144.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242687;MM242687;C=C(C#CC)C(C)(O)CO;IFLWNYSMVCZHSC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242688;MM242688;CC#CC(=O)C(C)(O)CC;PJFGMMCKIMDTCB-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242689;MM242689;C=C(C#CC)C(C)(F)CC;SMZNLHBUWANQOS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242690;MM242690;C=C(C#CC)C(C)(F)CN;KSAINGXKCHDYBJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242691;MM242691;CC#CC(=O)C(C)(F)CF;DACLYMIGQRNPHJ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242692;MM242692;C=C(C#CC)C(C)(C)NC;CAMASPSJJKSTKK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242693;MM242693;C=C(C#CC)C(C)(C)OC;KTYXXSKUQSUWIK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242694;MM242694;CC#CC(=O)C(C)(C)OC;RQBQYYHCXQJHRP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242695;MM242695;C=CC(C)(C)C(=C)C#CC;YXRPHZDPDBWZNT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242696;MM242696;C=C(C#CC)C(C)(C)C=O;GVFNHQYLXIETPA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242697;MM242697;C=C(C#CC)C(C)(C)C#N;CRJDLFHRWYBIAM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242698;MM242698;C=CC(C)(C)C(=O)C#CC;IWBBRJCGAFBFSY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242699;MM242699;CC#CC(=O)C(C)(C)C=O;QAWLMZSDKWJPKZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242700;MM242700;CC#CC(=O)C(C)(C)C#N;NVQOVHOEYXSZDT-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242701;MM242701;C=CC(C)(N)C(=C)C#CC;BTRBZOIBGBUTLT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242702;MM242702;CC1(CF)CC(NO)=NO1;QMHGRFXJRKKOLH-UHFFFAOYSA-N;148.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242703;MM242703;C=C(C#CC)C(C)(O)C=O;UBTNCDMKHZKQMN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242704;MM242704;C=C(C#CC)C(C)(O)C#N;ZVOGTWGIXSWRLI-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242705;MM242705;C=CC(C)(O)C(=O)C#CC;OQHBNJCWOCVWLY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242706;MM242706;CC#CC(=O)C(C)(O)C=O;BMCYIVOVHJBYSW-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242707;MM242707;CC#CC(=O)C(C)(O)C#N;ONSYHSOCGVGIOI-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242708;MM242708;C=CC(C)(F)C(=C)C#CC;YWLJGUMMIPGTSL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242709;MM242709;C=C(C#CC)C(C)(F)C=O;IRBDUADZEGZWOK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242710;MM242710;C=C(C#CC)C(C)(F)C#N;LSSBOKCXMYHJGX-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242711;MM242711;C=CC(C)(F)C(=O)C#CC;YVXFDCZRMGLJBI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242712;MM242712;CC#CC(=O)C(C)(F)C#N;HCMJJGVCZASHGR-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242713;MM242713;C#CC(C)(C)C(=C)C#CC;BXHXISHOLJQDGR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242714;MM242714;C#CC(C)(C)C(=O)C#CC;AMCQAKYIJMNFDQ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242715;MM242715;C#CC(C)(N)C(=C)C#CC;MERFRADDDQDXDW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242716;MM242716;C#CC(C)(O)C(=C)C#CC;TXUJDYHFGAORIX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242717;MM242717;C#CC(C)(O)C(=O)C#CC;UICKFEWORGINIB-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242718;MM242718;C#CC(C)(F)C(=C)C#CC;FKDDGWGKMVHECE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242719;MM242719;CCC=C(C)C(C)(C)CC;FSRDVCJBWBDDKM-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242720;MM242720;CCC(C)(C)C(C)=CCN;HADHGKVANZPQFW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242721;MM242721;CCC(C)(C)C(C)=CCO;CPYJBWKRCSXUDD-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242722;MM242722;CCC(C)(C)C(C)=CCF;NMOGUHZGKMTXPE-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242723;MM242723;CCC=C(C)C(C)(C)CN;MTKWJXJNYDOVPS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242724;MM242724;CC(=CCN)C(C)(C)CN;LZRLJWZSAHWJDE-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242725;MM242725;CC(=CCO)C(C)(C)CN;FJBHBTPFZHCEFM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242726;MM242726;C=CC1(C)CC(NO)=NO1;DSNVNRGPLPWJLE-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242727;MM242727;CCC=C(C)C(C)(C)CF;KRCCKLUJZJRXOT-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242728;MM242728;CCC(C)(C)C(F)=CCN;DXNOHMICTJWCFY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242729;MM242729;CCC(C)(C)C(F)=CCO;RXYNKOCYOYDCEX-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242730;MM242730;CCC(C)(C)C(F)=CCF;HMVBGPZWSIQEQZ-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242731;MM242731;CC(C)(CN)C(F)=CCF;LWLYOJGCLCVADI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242732;MM242732;CC(C)(CF)C(F)=CCN;VGWBHXXYDQSTBJ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242733;MM242733;CCC=C(C)C(C)(N)CC;ODDGHFVBJSKRIP-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242734;MM242734;CCC(C)(N)C(C)=CCN;VAWJYXXVMLRAJW-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242735;MM242735;CCC(C)(N)C(C)=CCO;WDMNNJCPRFPEML-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242736;MM242736;CCC(C)(N)C(C)=CCF;XJIISNSQUVRZIJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242737;MM242737;CCC=C(C)C(C)(N)CN;IIVZRJXBHGFPTK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242738;MM242738;CCC=C(C)C(C)(N)CF;WVVYTJZGZLNSRO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242739;MM242739;CCC=C(F)C(C)(N)CC;SOFHQAWYKOGSTG-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242740;MM242740;CCC(C)(N)C(F)=CCF;BQNNJUXDHOIAPQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242741;MM242741;CCC=C(F)C(C)(N)CN;NTEHFCODXAOXRB-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242742;MM242742;CC(N)(CN)C(F)=CCF;FGNLDYDESNSGHE-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242743;MM242743;CCC(C)(O)C(C)=CCN;JYOJMXBGSBHLHR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242744;MM242744;CCC(C)(O)C(C)=CCO;NMYYGKRDGMLMGM-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242745;MM242745;CCC(C)(O)C(C)=CCF;KTTYOYAXEASFHN-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242746;MM242746;CCC=C(C)C(C)(O)CN;SKLZYLOFTACNHY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242747;MM242747;CC(=CCO)C(C)(O)CN;BBQOHEKUHZMKFN-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242748;MM242748;CC(=CCF)C(C)(O)CN;ZOOYRELWZMXBHV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242749;MM242749;CCC=C(C)C(C)(O)CO;LNXFLGKBQHTOFL-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242750;MM242750;CC(=CCF)C(C)(O)CF;GTTBTQWWPKQEPN-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242751;MM242751;CC(=CCO)C(C)(F)CN;VOHXGPGITFNYEB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242752;MM242752;CC(=CCF)C(C)(F)CN;PMPPJYRDVKCGSG-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242753;MM242753;CC(F)(CN)C(F)=CCO;ZEEGNUHPYNTRRK-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242754;MM242754;CC(F)(CO)C(F)=CCN;UAZDQLSETBOJKY-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242755;MM242755;CC(=CCN)C(F)(F)CO;YHIRNJBVZQIWDP-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242756;MM242756;CCC(C)(C)C(C)=COC;YKGCOXLYYGMSNO-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242757;MM242757;COC=C(F)C(C)(C)CN;ODXKERVBGMUEGT-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242758;MM242758;COC=C(F)C(C)(C)CO;WECWZVBYFFIINB-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242759;MM242759;CCC(C)(N)C(C)=COC;LEJSOMRWCOFXIF-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242760;MM242760;COC=C(C)C(C)(N)CN;DOROPJOBMBZWFR-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242761;MM242761;CCC(C)(N)C(F)=COC;YLIIEQQLIKMWTE-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242762;MM242762;CCC(C)(O)C(F)=COC;ZCCKFWHZFACYLI-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242763;MM242763;COC=C(C)C(F)(F)CO;NANHCYGQMMJZNP-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242764;MM242764;CNC(C)(C)C(C)=CCN;BDQNEGQUASUBNC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242765;MM242765;CNC(C)(C)C(C)=CCO;JXRVMBOISNDVMR-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242766;MM242766;CNC(C)(C)C(C)=CCF;CGQBMHPJWZBPKR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242767;MM242767;CNC(C)(C)C(C)=COC;YZEUYKQLXVCVBZ-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242768;MM242768;COC(C)(C)C(C)=CCN;GIRQFYYQQQDHAX-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242769;MM242769;COC(C)(C)C(C)=CCO;PGDVGWGMFMMJJO-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242770;MM242770;COC(C)(C)C(C)=CCF;PAVRXVNDSAJIQN-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242771;MM242771;COC(C)(C)C(F)=CCO;JBWHIUYKKJDGJN-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242772;MM242772;COC=C(C)C(C)(C)OC;SGPJBKRISLIJFW-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242773;MM242773;CCC(C)(C)C(C)=NNC;NZNUDFPFTJNSEN-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242774;MM242774;CNN=C(C)C(C)(C)CN;ZQOTZVOIPADNAU-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242775;MM242775;CNN=C(C)C(C)(N)CN;AXLPXDOYYLBMNI-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242776;MM242776;CC1(C#N)CC(NO)=NO1;KTKJCCPAIJMQOI-UHFFFAOYSA-N;141.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242777;MM242777;CCC(C)(C)C(C)=NOC;PLGLIMJYTJEVCD-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242778;MM242778;CON=C(C)C(C)(C)CN;OFLBJYQZOHJEOM-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242779;MM242779;CCC(C)(N)C(C)=NOC;JXQZFJPYJZOFRK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242780;MM242780;CON=C(C)C(C)(N)CN;VXCTXUBGGMTIOK-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242781;MM242781;C#CC1(C)CC(NO)=NO1;VHWHBCQRUVXQCK-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242782;MM242782;CCC(C)(F)C(C)=NOC;VZYDQKWMFUNJHD-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242783;MM242783;CNC(C)(C)C(C)=NOC;SIDJUGHQFPGURV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242784;MM242784;CNN=C(C)C(C)(C)OC;LQBBUEUYMHAZQP-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242785;MM242785;C=CC=C(C)C(C)(C)CC;YSKOEJSAWAXXLD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242786;MM242786;CCC(C)(C)C(C)=CC=O;AAYPTVGUCTVLJD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242787;MM242787;CCC(C)(C)C(C)=CC#N;NYQSYTZOJTXCPU-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242788;MM242788;C=CC=C(C)C(C)(C)CN;AHGWENYLQGWRJJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242789;MM242789;C=CC=C(C)C(C)(C)CF;KRZGVWMFOLWAPH-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242790;MM242790;CC(C)(CF)C(N)=CC=O;SCIDHCOFDLAILZ-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242791;MM242791;C=CC=C(F)C(C)(C)CC;UGZFORSHKAGKCN-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242792;MM242792;CCC(C)(C)C(F)=CC=O;IELOTYSHWXSGGL-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242793;MM242793;CCC(C)(C)C(F)=CC#N;JDZQAJRAMUYVKF-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242794;MM242794;C=CC=C(F)C(C)(C)CN;LJZDTPSAOPDJME-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242795;MM242795;CC(C)(CO)C(F)=CC#N;VEXPBDZRSBMCKX-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242796;MM242796;CC(C)(CF)C(F)=CC=O;WLAYIEKFCJZXFE-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242797;MM242797;C=CC=C(C)C(C)(N)CC;XLLOPURBDKTSLO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242798;MM242798;C=CC=C(C)C(C)(N)CN;ZSVDHAYDFMIHKQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242799;MM242799;C=CC=C(C)C(C)(N)CF;SKBFQTJBYGHTBH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242800;MM242800;C=CC=C(F)C(C)(N)CC;WUXBZJQECBYALE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242801;MM242801;C=CC=C(F)C(C)(N)CN;XGUDLJMBSDSWCU-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242802;MM242802;C=C(CO)NC(=NN)OC;TVEPKCNHSYINMV-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242803;MM242803;CCC(C)(O)C(C)=CC=O;IGTJHZFKCKWILY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242804;MM242804;CCC(C)(O)C(C)=CC#N;NEIHEWGWJZUJRF-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242805;MM242805;C=CC=C(C)C(C)(O)CN;SHIXJBHCJNVCMK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242806;MM242806;CC(=CC=O)C(C)(O)CO;YVQXZBRMNQUECD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242807;MM242807;CC(O)(CO)C(N)=CC=O;UUQHYZXFIFWLPN-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242808;MM242808;CCC(C)(O)C(F)=CC#N;NLXACLPUCVSRTL-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242809;MM242809;CC(O)(CO)C(F)=CC=O;PYQNXOGQTRXURU-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242810;MM242810;C=CC=C(C)C(C)(F)CN;ZLKINRYXEUZNTF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242811;MM242811;CC(F)(CO)C(N)=CC=O;RPSOLPLHDCAJGR-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242812;MM242812;CCC(C)(F)C(F)=CC=O;UBSUYKPBPWMOBV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242813;MM242813;N#CC=C(F)C(F)(F)CO;LBGGIJDQJGATCQ-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242814;MM242814;C=CC=C(C)C(C)(C)NC;GJNVRIJEDHAZQK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242815;MM242815;CNC(C)(C)C(C)=CC=O;WSRREHCZMSPGFF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242816;MM242816;C=CC=C(C)C(C)(C)OC;VAMMCYCHBCLLKP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242817;MM242817;COC(C)(C)C(N)=CC=O;IBFXJZZQEVQFNM-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242818;MM242818;COC(C)(C)C(F)=CC#N;AGTACFCURRWHFR-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242819;MM242819;C=NN=C(C)C(C)(C)CC;YOWVJSSZMRHLNB-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242820;MM242820;C=NN=C(C)C(C)(C)CN;UULWCTKLUDGTNQ-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242821;MM242821;C=NN=C(C)C(C)(C)CO;QPBLQGXWJBPDCF-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242822;MM242822;C=NN=C(C)C(C)(N)CC;BDXSISVVXCXTMN-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242823;MM242823;C=NN=C(C)C(C)(N)CN;PFJOIOPHEFSLAZ-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242824;MM242824;C=NN=C(C)C(C)(O)CC;ZDUTYKXIPRSPRV-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242825;MM242825;C=NN=C(C)C(C)(F)CN;SVXNTZDFOLEROG-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242826;MM242826;C=NN=C(C)C(F)(F)CO;GFBIXEBAGYUWJK-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242827;MM242827;C=NN=C(C)C(C)(C)OC;GKTBXFZLXBAMHZ-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242828;MM242828;C#CC=C(C)C(C)(C)CC;WKUSGSJAZQOXIK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242829;MM242829;C#CC=C(C)C(C)(C)CN;WOUVNHOIIYTEPP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242830;MM242830;C#CC=C(F)C(C)(C)CC;PZVPSVWHMRVSAD-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242831;MM242831;COC(C=C(N)CO)=NN;OBJPOOGBCLFMFT-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242832;MM242832;C#CC=C(C)C(C)(O)CN;TUAWMMZSIVJBRG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242833;MM242833;C#CC=C(C)C(C)(O)CO;YYQAFEOIJFFPTI-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242834;MM242834;C#CC=C(F)C(C)(O)CO;QRVHEOSXEKTQGE-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242835;MM242835;C#CC=C(F)C(C)(F)CC;QSJLOSDMWPBPJD-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242836;MM242836;C#CC=C(C)C(C)(C)NC;VUIRJMZAPUNSLX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242837;MM242837;C#CC=C(C)C(C)(C)OC;NXWSFXSCBQZVKK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242838;MM242838;C=CC(C)(C)C(C)=CCC;RTEPVNNMFAFWCG-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242839;MM242839;C=CC(C)(C)C(C)=CCN;XVIOKEWHLCALEN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242840;MM242840;C=CC(C)(C)C(C)=CCO;BFWZFFSYGJVVIG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242841;MM242841;CCC=C(C)C(C)(C)C#N;LXOULNIQHSHDJJ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242842;MM242842;CC(=CCO)C(C)(C)C=O;WSTJGCZIOBWBKO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242843;MM242843;CC(=CCO)C(C)(C)C#N;GVGIQLFFJWBELC-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242844;MM242844;CC(=CCF)C(C)(C)C#N;HFRKGUGMTACYGD-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242845;MM242845;C=CC(C)(C)C(F)=CCC;VYFXSVSGLKICPV-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242846;MM242846;C=CC(C)(N)C(C)=CCC;JCFCJLGWGJHYSA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242847;MM242847;C=CC(C)(N)C(C)=CCN;KEXAVCYWTZJQBC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242848;MM242848;C=CC(C)(N)C(C)=CCO;BMPQGSSPGSDSNT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242849;MM242849;C=CC(C)(N)C(C)=CCF;LEIZNVXFAZHHTO-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242850;MM242850;C=CC(C)(O)C(C)=CCF;CLBTTXKPJRLSCR-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242851;MM242851;C=CC(C)(O)C(F)=CCF;QZMDDUIJEUCEOY-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242852;MM242852;CC(O)(C#N)C(F)=CCO;DUGVPBIZVXVQMS-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242853;MM242853;CC(F)(C#N)C(F)=CCO;BZILWCJSFUHQRG-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242854;MM242854;C=CC(F)(F)C(C)=CCN;ZPXOICACEVCQHV-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242855;MM242855;C=CC(C)(C)C(C)=COC;MTWUJDVCKCPLDI-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242856;MM242856;COC=C(C)C(C)(C)C=O;PIZMOWOGKXBEBL-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242857;MM242857;COC=C(C)C(C)(C)C#N;CKOVZEMEHYRBTM-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242858;MM242858;COC=C(F)C(C)(C)C#N;KCFCMIBRSFVBGZ-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242859;MM242859;C=CC(C)(N)C(C)=COC;YQAAHWKSNDUNRW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242860;MM242860;C=CC(C)(O)C(C)=COC;IDKNWLUSWSBUFV-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242861;MM242861;COC=C(C)C(C)(O)C#N;FHDZICSJPRGDHT-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242862;MM242862;C=CC(C)(O)C(F)=COC;NZVRXGLZFBCHDQ-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242863;MM242863;COC=C(C)C(C)(F)C#N;QEZDCCHZCFXRSC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242864;MM242864;COC=C(F)C(C)(F)C#N;YFFIYCSUFAPUTN-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242865;MM242865;COC=C(F)C(F)(F)C#N;FKHJEONWEAVVMN-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242866;MM242866;CNN=C(C)C(C)(C)C=O;NZERDJKGLGJUPQ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242867;MM242867;C=NN1CC(C=O)(CO)C1;VFGUICJSGZKVEM-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242868;MM242868;C=CC1(CC)CN(O)C=N1;NETWBWAGTVKYCH-UHFFFAOYSA-N;140.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242869;MM242869;CCC1(C=O)CN(O)C=N1;MSWQDLQTLPOPKZ-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242870;MM242870;C=CC(C)(C)C(C)=NOC;UGOBMIRWJYCEJC-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242871;MM242871;CON=C(C)C(C)(C)C=O;PBLBGDVHUOTBRN-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242872;MM242872;CON=C(C)C(C)(C)C#N;IMXAYJPVLXCCBO-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242873;MM242873;C=CC(C)(N)C(C)=NOC;QTRIJGXJOVUCFJ-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242874;MM242874;C=CC1(C=C)CN(O)C=N1;OVPVGUTWQFOJAW-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242875;MM242875;CON=C(C)C(C)(O)C=O;HTSZKVKAQZSFGK-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242876;MM242876;CON=C(C)C(C)(O)C#N;YDVPQOSHLUYTSU-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242877;MM242877;CON=C(C)C(C)(F)C#N;SJSBOKQKEFWVFY-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242878;MM242878;C=C(CO)N(C)C(=N)C#N;NQWVOCSECZWSTI-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242879;MM242879;C=CC=C(C)C(C)(C)C=C;CFJQYFFSYOJAFC-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242880;MM242880;C=CC=C(C)C(C)(C)C#N;SRELVGSWNMNNQB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242881;MM242881;CC(=CC#N)C(C)(C)C=O;PFUIIQJUAAUAMM-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242882;MM242882;C=CC(C)(C)C(N)=CC#N;PWIUJUNGVWSTBD-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242883;MM242883;CC(C)(C#N)C(N)=CC#N;NWKLUKGXUUBGBD-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242884;MM242884;C=CC=C(F)C(C)(C)C=O;RIWPODKUFAZDFA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242885;MM242885;CC(C)(C#N)C(F)=CC#N;DXXMVTKZZCIONW-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242886;MM242886;C=CC=C(C)C(C)(N)C=C;ZSAZSFDCVUXQKI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242887;MM242887;CON(C)C(=O)C(=N)NO;IZVBTSUJFYERGE-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242888;MM242888;C=CC(C)(O)C(C)=CC#N;YACKBSFNGAKPQG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242889;MM242889;C=CC=C(C)C(C)(O)C#N;ALVNIIZFQAYETL-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242890;MM242890;C=CC(C)(O)C(N)=CC=O;KZYZCUDIXOSKPN-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242891;MM242891;C=CN(C)C(=O)C(=N)NO;FCBKWUISAWBQFB-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242892;MM242892;C=CC=C(F)C(C)(O)C=C;CGOYNNUCCPPHJG-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242893;MM242893;C=CC(C)(O)C(F)=CC=O;JFKCUZPDMLRURX-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242894;MM242894;C=CC(C)(O)C(F)=CC#N;GZMVRYFGTIUUKY-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242895;MM242895;C=CC(C)(F)C(N)=CC#N;AZJZDUOKGOXWIA-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242896;MM242896;C=CC(C)(C)C(C)=NN=C;MMYNCFCYTWRCFU-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242897;MM242897;C=NN=C(C)C(C)(C)C=O;KVLRFTNRHWRDOR-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242898;MM242898;C=NN=C(C)C(C)(C)C#N;FQGDFUHEPUWGBC-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242899;MM242899;C=CC(C)(O)C(C)=NN=C;JUFUOVHNGJCOBK-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242900;MM242900;C=NN=C(C)C(C)(O)C=O;UHQMBMNZCKIYDT-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242901;MM242901;C=NN=C(C)C(C)(O)C#N;RQAVFSLFWJEDJR-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242902;MM242902;C=NN=C(C)C(C)(F)C#N;NKLOKPBBGOZEGQ-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242903;MM242903;C#CC=C(F)C(C)(C)C#N;ALLYHXDDLWTKGU-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242904;MM242904;C#CC=C(C)C(C)(N)C=C;MVVIHEPLTNFOLL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242905;MM242905;CN(C=O)C(=O)C(=N)NO;ARWWINBTNFYJHL-UHFFFAOYSA-N;145.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242906;MM242906;C#CC(C)(C)C(C)=CCC;DCXKGTRCFDBIPC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242907;MM242907;C#CC(C)(C)C(F)=CCC;MDUOTSVOZZGBEM-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242908;MM242908;C#CC(C)(C)C(F)=CCN;VHAVAZZVOLYKRY-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242909;MM242909;C#CC(C)(N)C(C)=CCC;HPFRUWBSTJWZAW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242910;MM242910;C#CC(C)(N)C(C)=CCN;BVWPAGCDDQHQAJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242911;MM242911;C#CC(C)(N)C(C)=CCF;YHWYEPQJKVTGHV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242912;MM242912;C#CC(C)(O)C(C)=CCC;OQPKGAJINBNYLM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242913;MM242913;C#CC(C)(F)C(C)=CCN;HQZUPPUXRZUOFF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242914;MM242914;C#CC(C)(C)C(C)=COC;RGIWGVKJDLQYAG-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242915;MM242915;C#CC(C)(N)C(C)=COC;ZZGMLXMYBYZUOQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242916;MM242916;C#CC(C)(O)C(C)=COC;OANRAZVDEPMPIS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242917;MM242917;C#CC(C)(C)C(C)=NOC;FVAPOPMVQRKTMR-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242918;MM242918;C#CC(C)(F)C(C)=NOC;SLABLIRCRRWGBN-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242919;MM242919;C#CC(C)(C)C(C)=CC=C;DESRSEFBIQMSIJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242920;MM242920;C#CC(C)(C)C(C)=CC#N;IBNLBXBVZRRJLL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242921;MM242921;C#CC(C)(C)C(N)=CC=O;XVNLZZFWBCCMGB-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242922;MM242922;C#CC(C)(C)C(F)=CC=C;MFJANORATXLZTN-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242923;MM242923;C#CC(C)(N)C(C)=CC=C;RCNQIQUZHGFACE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242924;MM242924;C#CC(C)(O)C(C)=CC=C;WDRAHPFKWMQXNQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242925;MM242925;C#CC(C)(F)C(C)=CC=C;PRHGQWFKUZKIQK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242926;MM242926;C#CC(C)(F)C(N)=CC#N;ZHCYCXBCNSRGJZ-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242927;MM242927;C#CC(C)(C)C(C)=NN=C;QWENYYDSDKRTEQ-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242928;MM242928;C#CC(C)(O)C(C)=NN=C;LALIZNUFXQSUOV-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242929;MM242929;C#CC(C)(F)C(C)=NN=C;UJWMEXHGRVNZAK-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242930;MM242930;C#CC=C(C)C(C)(C)C#C;SWCIIMZEBYLNKD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242931;MM242931;C#CC=C(F)C(C)(C)C#C;ZLMDVWWTAOTRPF-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242932;MM242932;C#CC=C(C)C(C)(N)C#C;DXFHPICTRRJDPX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242933;MM242933;CCC(C)(CCN)CCN;WBRWYLSPWQQGAA-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242934;MM242934;CCCC(C)(CN)CCF;QSCXHGSDNYLLMR-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242935;MM242935;CC(CN)(CCN)CCN;PNCWYYHWLRSIPM-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242936;MM242936;CC(CN)(CCN)CCF;BJGHNMQKIVIZIV-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242937;MM242937;CC(CN)(CCF)CCF;PKUYSQZJUIBUQR-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242938;MM242938;CCCC(C)(CF)CCN;KJDVEXMRZVUUJV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242939;MM242939;CC(CF)(CCN)CCF;ZPCASTOIUQCORK-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242940;MM242940;CC(CF)(CCO)CCF;ZVELLLKEEGXVBH-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242941;MM242941;CCC(N)(CCO)CCF;IKLAITIBFUCKBI-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242942;MM242942;CCCC(N)(CN)CCN;QUCIQGLDMFRDOZ-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242943;MM242943;CCCC(N)(CN)CCO;VYTHZQWUEBNNAE-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242944;MM242944;CCCC(N)(CF)CCC;RLMHFQUKORHOHU-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242945;MM242945;NCCC(N)(CF)CCF;HADFMHMPSMLLLK-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242946;MM242946;CCCC(O)(CF)CCO;WNNFIORXOVLGCE-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242947;MM242947;CCCC(O)(CF)CCF;NDTGHCHODBLOQR-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242948;MM242948;CCCC(F)(CC)CCN;WUMOMCUBOHEHGR-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242949;MM242949;CCCC(F)(CC)CCO;LNUHGIPLLXMANL-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242950;MM242950;CCCC(F)(CC)CCF;QNMBMUKTFGORRK-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242951;MM242951;CCC(F)(CCN)CCF;BBWYAALQQFHZTQ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242952;MM242952;CCCC(F)(CN)CCF;UHKRZIFRDBPZBB-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242953;MM242953;CCCC(F)(CF)CCN;RWHIPXDIDUMTBV-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242954;MM242954;FCCC(F)(CF)CCF;OKBKREOYSGGXKP-UHFFFAOYSA-N;158.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242955;MM242955;CNCC(C)(CN)CCN;ULKOLPOUTRPBQZ-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242956;MM242956;CNCC(C)(CN)CCO;VNVWWZOWQAEPIX-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242957;MM242957;CNCC(C)(CN)CCF;HVEGMEVHLOFQRL-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242958;MM242958;CCCC(C)(CF)CNC;OYHRIMNZRKTEQG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242959;MM242959;CNCC(C)(CF)CCN;YPCCNRVVVIXBHD-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242960;MM242960;CNCC(C)(CF)CCF;ZUBXOOHJTDEXGJ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242961;MM242961;CCC(N)(CCN)CNC;ZKMSUODEEAUEFC-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242962;MM242962;CCCC(N)(CN)CNC;VJRCVHCHIHRPJV-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242963;MM242963;CCC(O)(CCN)CNC;LRYNFTUVARCSST-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242964;MM242964;CNCC(O)(CO)CCO;IDZWZXDBLDTINQ-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242965;MM242965;CCCC(O)(CF)CNC;JIFWMZBHZJIFHY-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242966;MM242966;CCCC(F)(CF)CNC;VHVPLSIDXSZPNJ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242967;MM242967;COCC(C)(CN)CCN;XVNVINKQNBTNDV-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242968;MM242968;CCCC(N)(CC)COC;JFVLVDAAEDEJGP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242969;MM242969;CCC(N)(CCN)COC;RQQJJMJCWWWGPR-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242970;MM242970;CCCC(N)(CN)COC;ONPUCQSIARRMHK-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242971;MM242971;CCCC(O)(CN)COC;QKFLTDJNQOEQGO-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242972;MM242972;COCC(O)(CO)CCN;QVXDMJLBCLAFIM-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242973;MM242973;COCC(O)(CO)CCO;BBEOOCLDZBRHJV-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242974;MM242974;COCC(F)(CO)CCN;KIGNNPYNZPLPIE-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242975;MM242975;COCC(F)(CO)CCO;GMUKJIUOBJJZRP-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242976;MM242976;COCC(F)(CF)CCO;UOIYSGUXCDSAIA-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242977;MM242977;CNCC(C)(CN)CNC;UFTVYUOCAHSVDD-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242978;MM242978;CNCC(C)(CF)CNC;UQCVIFBTISSKGT-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242979;MM242979;CCC(N)(CNC)CNC;PJLFPUKLIIYLFB-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242980;MM242980;CNCC(F)(CO)CNC;BVWWZUSLVJRIEH-UHFFFAOYSA-N;150.2;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242981;MM242981;CNCC(F)(CO)COC;SDQBUUQWAYJHJZ-UHFFFAOYSA-N;151.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242982;MM242982;COCC(N)(CO)COC;BBOSWURMAOTHAZ-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242983;MM242983;CCC(O)(COC)COC;HQWOMPWRABUJKJ-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242984;MM242984;CCCC(C)(CCC)NC;CTLMDLQGWKKYRZ-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C3";;;;;;;3.9;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242985;MM242985;CCCC(C)(CCO)NC;LEYAAMMLIWWXPX-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242986;MM242986;CCCC(C)(CCF)NC;UTDCQXNKVBWYBV-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242987;MM242987;CNC(C)(CCN)CCN;UELHFMRTVUHGGA-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242988;MM242988;CNCC(C)(CCN)NC;XURSHIOZPZEMFA-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242989;MM242989;CNC(C)(CCO)COC;IAJBECRIDJZBPO-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242990;MM242990;COCC(C)(CCO)OC;GNYCYUJWNNHMPA-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242991;MM242991;CNCC(C)(CNC)OC;KSAJZSICGJXQEY-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242992;MM242992;CCNC(C)(CF)CCF;HOKBRLRVMVUNFR-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242993;MM242993;CCCC(C)(CN)OCC;BAKLKWUHHPQOTF-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242994;MM242994;CCOC(C)(CN)CCN;VXKDYIWJJAMXAT-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242995;MM242995;CCOC(C)(CNC)OC;BNIDLMKZZFZETJ-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242996;MM242996;CCOC(C)(CN)OCC;UINLQSAHXLBLRS-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242997;MM242997;CCOC(C)(CO)OCC;AQNARGNUGHUBMR-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242998;MM242998;CCC(C)(CC=O)CCF;BIHKLVYTUUDOAF-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM242999;MM242999;C=CCC(C)(CN)CCN;ZRKXJFJDTVQWNV-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243000;MM243000;C=CCC(C)(CN)CCO;JGJIWVPIZDXUEJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243001;MM243001;C=CCC(C)(CN)CCF;CRENIJFPYJOGHX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243002;MM243002;N=C(NO)C(=O)N(N)C=O;KVKCYMDCUANMOV-UHFFFAOYSA-N;146.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243003;MM243003;C=CCC(C)(CF)CCN;ZNMBLKAEIZTSIC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243004;MM243004;CC(CF)(CC=O)CCF;HVRAVDUQWYYZAW-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243005;MM243005;C=CCC(N)(CN)CCC;PRGSNVRLDBBUCV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243006;MM243006;C=CCC(N)(CN)CCN;HZDBBNBWWRFBJV-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243007;MM243007;C=CCC(N)(CN)CCO;VOEGIXQZVXYWPQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243008;MM243008;C=CCC(N)(CN)CCF;WVILFGYLTPPRIE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243009;MM243009;C=CCC(N)(CF)CCC;KQXRZLBEPHBKHL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243010;MM243010;C=CCC(N)(CF)CCF;UUCQZLWRKSPSQP-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243011;MM243011;CCC(O)(CC=O)CCF;ILFBRKVLPHRHLG-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243012;MM243012;C=CCC(O)(CN)CCC;SQUJJVTUCRDWOL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243013;MM243013;C=CCC(O)(CO)CCN;VGDOLIXSOUVSJK-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243014;MM243014;O=CCC(O)(CF)CCF;LFSILILLQYFHAT-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243015;MM243015;C=CCC(F)(CC)CCO;OBLZTJLIDCNNME-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243016;MM243016;C=CCC(F)(CC)CCF;CENZMSVJUJTHHN-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243017;MM243017;CCC(F)(CC=O)CCF;GZIZAEYZSYRLQJ-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243018;MM243018;C=CCC(F)(CN)CCC;ZVAPKSGYJDVBAU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243019;MM243019;C=CCC(F)(CN)CCN;LZIPQHWAFSXWBA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243020;MM243020;C=CCC(F)(CN)CCF;LENWCOVMZHDTSM-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243021;MM243021;C=CCC(F)(CO)CCO;WVIVTZGBTXCPJB-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243022;MM243022;O=CCC(F)(CO)CCF;JKSFOKNMRQQOKZ-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243023;MM243023;C=CCC(C)(CC)CNC;WMDWKFBOEMPUJH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243024;MM243024;CCC(C)(CC=O)CNC;YEXLSZITKDKGDH-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243025;MM243025;C=CCC(C)(CF)CNC;JXDOFJPCOMEMAV-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243026;MM243026;C=CCC(N)(CN)CNC;LNGAMXYRTRMVLC-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243027;MM243027;C=CCC(O)(CF)CNC;AVMMMETZROZPQT-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243028;MM243028;C=CCC(F)(CN)CNC;APWAXUIORFROQC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243029;MM243029;C=CCC(C)(CN)COC;VEDCIPWGNBEQDM-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243030;MM243030;C=CCC(N)(CN)COC;BFSPUKSYGOAUSZ-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243031;MM243031;CCC(O)(CC#N)COC;BSUPLZPRKUZOBG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243032;MM243032;C=CCC(F)(CN)COC;VFHRHSNNTJKGRG-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243033;MM243033;C=CCC(C)(CCC)NC;GXOPSLHPOMDNJS-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243034;MM243034;C=CCC(C)(CCN)NC;PSJPRRFCOSBUSM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243035;MM243035;C=CCC(C)(CCO)NC;DEJJEBDLNQUWBU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243036;MM243036;C=CCC(C)(CCF)NC;ZQAYCCYNRORLMK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243037;MM243037;CNC(C)(CC=O)CCF;KFWLZUQYAOEQLA-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243038;MM243038;C=CCC(C)(COC)NC;HLUZSMXRKVQGMQ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243039;MM243039;C=NN(C)C(=O)C(=N)NO;ZCDXZWVGMZCTSK-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243040;MM243040;CCC(C)(CCN)NC=N;DSNUFYHDHNWKIE-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243041;MM243041;N=CN=CN(O)CCC=O;MENLGXURDVUICQ-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243042;MM243042;CC(CF)(CCF)NC=N;FGDJBGLKVXQZJP-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243043;MM243043;C=NNC(C)(CC)CCC;FFPIUOHINJHXFL-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243044;MM243044;C=NNC(C)(CO)CCN;QIORULKOXFUISF-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243045;MM243045;C=NNC(C)(CF)CCF;QSHJVTCDTGANBM-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243046;MM243046;CCC(C)(CCN)OC=O;MPDDSOFJBBANLM-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243047;MM243047;C=COC(C)(CO)CCO;GHTJAVBGLYKOGT-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243048;MM243048;C=NOC(C)(CO)CCN;ABQXJOUPLSUPOJ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243049;MM243049;C=NOC(C)(CF)CCF;QSAKMZXBISAQOA-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243050;MM243050;CCC(C)(CNC)OC=O;UNTDYIVZNZBGOA-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243051;MM243051;C=CCC(C)(CN)NCC;PFQCBUTZDFNREX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243052;MM243052;CCNC(C)(CF)CC=O;VBYVLQGHBCUYFO-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243053;MM243053;CCOC(C)(CC=O)OC;MNEZVYWXKKRMTE-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243054;MM243054;C=COC(C)(CN)OCC;PCALLDYWNGYSCD-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243055;MM243055;C#CCC(C)(CN)CCO;QQOQNJVOOOEFMK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243056;MM243056;C#CCC(C)(CN)CCF;UVGPMIAPZQZCNP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243057;MM243057;C#CCC(C)(CF)CCN;RIIDZKVGLRHDPO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243058;MM243058;C#CCC(C)(CF)CCO;JRBVNPQQRUMRMM-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243059;MM243059;C#CCC(N)(CN)CCF;KWAGULPGBQWUQF-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243060;MM243060;C#CCC(N)(CF)CCC;RHOOJFCXWMXRSF-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243061;MM243061;C#CCC(N)(CF)CCF;JNHZFJRJVXRJNG-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243062;MM243062;C#CCC(O)(CC)CCO;PZZDFDXXOALOQJ-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243063;MM243063;C#CCC(O)(CF)CCF;PIFBMWPRDNHUEO-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243064;MM243064;C#CCC(F)(CN)CCF;YSUVGIQZOGCKCJ-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243065;MM243065;C#CCC(F)(CO)CCF;FLCFKLGOTAGMAV-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243066;MM243066;C#CCC(C)(CO)CNC;QPZZVVWSICNEBI-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243067;MM243067;C#CCC(C)(CF)CNC;ZRFQNOLKECBUCF-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243068;MM243068;C#CCC(O)(CC)CNC;WFCBMDNCZJPNSP-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243069;MM243069;C#CCC(O)(CO)COC;ITYMDTXBNQJMID-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243070;MM243070;C#CCC(C)(CCO)NC;VGLRYSVLVRJGMK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243071;MM243071;C#CCC(C)(CCF)NC;BJXBVEMFBDBHKB-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243072;MM243072;C#CCC(C)(CNC)NC;QGEDPTXCRCEEIK-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243073;MM243073;C=CCC(C)(CC)CC=O;UKIOTFCISIMMII-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243074;MM243074;C=CCC(C)(CN)CC=C;GOJZXWPMGDTUMC-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243075;MM243075;CC(CO)(CC#N)CC=O;QRUDNZAUGZXXEA-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243076;MM243076;C=CCC(C)(CF)CC=O;WLCCUQIXPSTOLR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243077;MM243077;CC(CF)(CC=O)CC=O;YKZLTVVUEIFCRP-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243078;MM243078;C=CCC(N)(CO)CC=C;CPGQVAIUMTYGSS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243079;MM243079;C=CCC(O)(CC)CC=O;QHQUZHWXOVWGPE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243080;MM243080;N#CCC(O)(CO)CC=O;MGTXBLNAEZYBPH-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243081;MM243081;C=CCC(O)(CF)CC=C;LJBVFTKRZZKBPA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243082;MM243082;CCC(F)(CC=O)CC=O;FZUBRJLYTLDYJP-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243083;MM243083;C=CCC(F)(CN)CC=C;RYKHJVCCKQUZPJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243084;MM243084;C=CCC(C)(CC=C)NC;FPBJTQOIBWAKOM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243085;MM243085;CNC(C)(CC#N)CC#N;UARDLDRJHXKXEN-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243086;MM243086;C#CCCN(O)C=NC=N;NZFFAVQZRMAXOV-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243087;MM243087;C=CCC(C)(CN)NC=N;KDDYLVJRFOZHLE-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243088;MM243088;CC(CO)(CC#N)NC=N;ADWLPRUOOXCMLA-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243089;MM243089;CC(CO)(CC#N)NC=O;GGQPRQRQTHWUQO-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243090;MM243090;C=CCC(C)(CC)NN=C;GTMKHKUIDJECNQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243091;MM243091;CON=CN(O)CC=CF;QLMYMGVAFZDTNB-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243092;MM243092;C=CCC(C)(CN)NN=C;DGMWKCORFNHDGO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243093;MM243093;C=CCC(C)(CF)NN=C;DIJXKCBLCXYMNE-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243094;MM243094;C=CCC(C)(CN)ON=C;GWTIIBQYRNODRD-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243095;MM243095;C#CCC(C)(CN)CC=C;HFJRBZBWLAWONN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243096;MM243096;C#CCC(C)(CF)CC=O;MJMUKQCQCZKXRW-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243097;MM243097;C#CCC(O)(CC)CC=O;WNDKPSMLERGQNQ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243098;MM243098;C#CCC(O)(CO)CC#N;UHIIVOGDUOIYBC-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243099;MM243099;C#CCC(O)(CF)CC=C;JHJYUAMIOZJMND-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243100;MM243100;C#CCC(F)(CN)CC=C;VWJXZBCDTCLJFJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243101;MM243101;C#CCC(C)(CC=C)NC;JMWVJQXIRWGXPB-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243102;MM243102;C#CCC(C)(CC=O)NC;AGCOAWRBSLJNSY-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243103;MM243103;C#CCC(C)(CF)NC=N;LWQFQMNJTKRGBH-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243104;MM243104;C#CCC(C)(CF)NC=O;VYXLUTXCLGCNFZ-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243105;MM243105;C#CCC(C)(CC)NN=C;ISMZOCVUTWKCKK-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243106;MM243106;C#CCC(C)(CF)NN=C;XRSLUVLQBDJCDY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243107;MM243107;C#CCC(C)(CF)OC=O;SFCVVSMAZDRGRO-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243108;MM243108;C#CCC(C)(OC)OC=C;YSKMWADAOCQPFJ-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243109;MM243109;C=CC(C)(CCN)CCO;VLABRLKIXJBZLQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243110;MM243110;C=CC(C)(CCN)CCF;JGTMEPIMNDNBHZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243111;MM243111;C=CC(C)(CCF)CCF;HDVJTMXBUYTHCM-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243112;MM243112;CCCC(C)(C=O)CCF;GKNMALAMYUHCKP-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243113;MM243113;C=CC(N)(CCC)CCN;YJXAMHMGNZSHPI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243114;MM243114;C=CC(N)(CCC)CCO;WILLODCJHONFNO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243115;MM243115;C=CC(N)(CCN)CCF;KEBLRRGLAZSJTO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243116;MM243116;C=CC(O)(CCN)CCF;KZYYGZHTBAUYQH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243117;MM243117;C=CC(O)(CCO)CCO;RCZNUTYSVYMVPS-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243118;MM243118;CCCC(O)(C#N)CCO;FURRYLIFJCOTJT-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243119;MM243119;CCCC(O)(C=O)CCF;CTSHYBFLYIMDCN-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243120;MM243120;CCCC(O)(C#N)CCF;ZMDZSEYYJQIRBR-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243121;MM243121;C=CC(F)(CCO)CCO;WJNZKFADLXGODF-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243122;MM243122;N#CC(F)(CCF)CCF;VQUMODXMMIPVTA-UHFFFAOYSA-N;151.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243123;MM243123;C=CC(C)(CCC)CNC;HTLYAAGTPZTTJM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243124;MM243124;C=CC(C)(CCF)CNC;BXJAZBUMTWMFNP-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243125;MM243125;CCCC(C)(C=O)CNC;VUTKESZPNZZNFO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243126;MM243126;C=CC(N)(CCF)CNC;YGJQUXSKDRABRH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243127;MM243127;C=CC(O)(CCN)CNC;LNYRLPASWVWNIW-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243128;MM243128;C=CC(F)(CCO)CNC;TZQBLNZTUPEVBM-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243129;MM243129;CCCC(F)(C=O)CNC;ZEDHMZLAEQXDOF-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243130;MM243130;COCC(C)(C#N)CCO;XGTDHKSVFAPURV-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243131;MM243131;CCCC(O)(C=O)COC;CNMABLICJKBOGY-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243132;MM243132;COCC(O)(C#N)CCO;FGTTXGVWMLFPHH-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243133;MM243133;C=CC(O)(CNC)CNC;YNNRGBVYFULIOM-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243134;MM243134;C=CC(F)(CNC)CNC;FFPDFOKAUMECBF-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243135;MM243135;C=CC(C)(CCN)NCC;NBEOTRCWPDMDLL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243136;MM243136;C=CC(C)(CCF)NCC;PEFMKFUKBNGXFM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243137;MM243137;CCCC(C)(C=O)NCC;UUMUOARCWSVLFR-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243138;MM243138;CCNC(C)(C#N)COC;TTWHRVUHIMUWJW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243139;MM243139;C=CC(C)(CC=O)CCC;QRKCPLHYBFGTOI-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243140;MM243140;C=CC(C)(CC=O)CCF;SGHSAOBJMOIMKO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243141;MM243141;CC(C=O)(CC#N)CCO;YUONCHZGYUUHKW-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243142;MM243142;CC(C#N)(CC=O)CCO;CBFOSGTZAUPWDP-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243143;MM243143;C=CCC(C)(C=O)CCF;YGZAXSJIZFWODI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243144;MM243144;C=CCC(N)(C=C)CCF;UBSBAELUILKIMJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243145;MM243145;C=CC(O)(CC=O)CCC;VLCFTABEZJQHND-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243146;MM243146;N#CCC(O)(C=O)CCO;AWSPCKMROSLLCY-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243147;MM243147;N#CC(O)(CC=O)CCO;MXNTXWQCXYVONE-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243148;MM243148;N#CCC(O)(C#N)CCO;HSHOFRVJWKQAAB-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243149;MM243149;CCCC(F)(C#N)CC#N;DSFWGWRONFDUFF-UHFFFAOYSA-N;140.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243150;MM243150;C=CCC(F)(C=O)CCO;QJWXJHYTTBBUKP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243151;MM243151;C=CCC(F)(C#N)CCO;HPNIJIMDSITWPK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243152;MM243152;C=CCC(F)(C#N)CCF;SPQZULLSKHRLPK-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243153;MM243153;N#CC(F)(CC=O)CCF;DEPBTHCTMZKNGE-UHFFFAOYSA-N;147.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243154;MM243154;C=CCC(C)(C=C)CNC;DXDKLEHLJOAJLW-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243155;MM243155;C=CC(C)(CC=O)CNC;WDXDREIVMMEIDW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243156;MM243156;C=CCC(C)(C=O)CNC;NKKKOVCAIPUYOM-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243157;MM243157;C=CCC(F)(C=O)CNC;BUOGQEHGVKDMTE-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243158;MM243158;COCC(C)(C#N)CC#N;CTYARMWFJWEMMP-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243159;MM243159;C=CC(F)(CC#N)COC;OMDPMVDKBUVTKP-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243160;MM243160;COCC(F)(C#N)CC#N;SZXRLXYKUQDBON-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243161;MM243161;C=CC(C)(CCO)NC=O;RVPZOUKZLYRZDF-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243162;MM243162;C=CC(C)(CCF)NC=N;SJTRCDIYCDIXNX-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243163;MM243163;C=C(CO)C(=O)ON=CN;XMQMFWNCWYNTCY-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243164;MM243164;CC(C#N)(CCO)NC=N;NVUXQQVAPKEVRQ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243165;MM243165;CC(C=O)(CCO)NC=O;FIMYRSGPAZDSQR-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243166;MM243166;CC(C#N)(CCO)NC=O;ZVZSRGQUHSORCR-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243167;MM243167;C=CC(C)(CCC)NN=C;MGZJVOCVKIQCHG-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243168;MM243168;C=CC(C)(CCF)NN=C;JOZZEKQKYLYFIP-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243169;MM243169;CNCC(C)(C#N)NC=N;DNCDIPNVWDVCIZ-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243170;MM243170;CNCC(C)(C=O)NC=O;LKYWZPACWBGHQS-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243171;MM243171;C=CC(C)(COC)NC=N;SSGQXXLADYOBFO-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243172;MM243172;C=CC(C)(COC)NC=O;GDGVQAVWEINIEM-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243173;MM243173;COCC(C)(C=O)N=CN;XJKIKTRCRCXRSI-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243174;MM243174;COCC(C)(C=O)NC=O;DKKLYYWNQGIQAO-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243175;MM243175;C=CC(C)(CCN)OC=O;PXESYRUWYYWDAT-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243176;MM243176;C=COC(C)(C#N)CCO;QQBFIBQKCKCEAM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243177;MM243177;C=COC(C)(C=O)COC;PHPWNZOISPTVLE-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243178;MM243178;C=COC(C)(C#N)COC;ASMLCMBDHVXTDJ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243179;MM243179;C=COC(C)(C=O)OCC;AWJQTEFGLXGOJQ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243180;MM243180;C=COC(C)(C#N)OCC;SOXBOKADJOBYLH-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243181;MM243181;C=NOC(C)(C=O)OCC;KVZVWDGCAQPFQM-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243182;MM243182;C#CCC(C)(C=C)CCF;MTGMUHLMGSBIRC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243183;MM243183;C#CCC(C)(C=O)CCO;LRDATQIGTSXIEX-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243184;MM243184;C#CCC(C)(C#N)CCO;AJOFNGPSYHCNLN-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243185;MM243185;C#CCC(C)(C=O)CCF;FVNUDXMBNMVYSZ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243186;MM243186;C#CCC(O)(C#N)CCO;LIIZNDUBAZPNKJ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243187;MM243187;C#CCC(C)(C=C)CNC;QQGPRODSCRAEKR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243188;MM243188;C#CCC(O)(C=O)CNC;HBVPPYXSOZFEMS-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243189;MM243189;C#CCC(C)(C#N)COC;VOOMAPGVFRVOEC-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243190;MM243190;C#CCC(N)(C=C)COC;FYGZNORUTFJQAV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243191;MM243191;C#CCC(C)(C#N)NCC;NSYZWUOFLASOBI-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243192;MM243192;C=CC(C)(CC=O)CC=O;GSRPXRGNJGOYLD-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243193;MM243193;C=CC(C)(CC#N)CC=O;PZPBQVJAAXHESY-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243194;MM243194;C=CCC(C)(C=O)CC=O;WQUVIJLJEWERGC-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243195;MM243195;C=CCC(C)(C=O)CC#N;CRFOPOMWKVAXFM-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243196;MM243196;C#CCNC(=N)C(=O)NC;HQWFXRAWBJENGL-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243197;MM243197;C=CCC(O)(C=C)CC#N;LITUTGFWLLPJOQ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243198;MM243198;C=CCC(O)(C=O)CC=C;YVPJHQJQMBMYKL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243199;MM243199;C=CCC(O)(C=O)CC=O;KJLYZRWAFZXWLK-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243200;MM243200;C=CCC(O)(C=O)CC#N;KYPQMBAPBGASHC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243201;MM243201;N#CCC(O)(C=O)CC=O;RXSDBLMEBLUQKZ-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243202;MM243202;N#CC(O)(CC=O)CC=O;PSFRIGCCVNTASY-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243203;MM243203;C=CC(F)(CC=O)CC=O;KYZTYURIFMDNMB-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243204;MM243204;C=CCC(C)(C=C)NC=N;HQSPQPTZZLZASP-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243205;MM243205;CNC(=O)N(N)C=CCF;QGFXDWJTDKVISN-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243206;MM243206;C=CCC(C)(C#N)NC=N;BSPZZDIMDKTWET-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243207;MM243207;CC(C=O)(CC#N)N=CN;JCPLSRNCDAWLGS-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243208;MM243208;CC(C=O)(CC=O)NC=O;BNLUWHZHYAQPNG-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243209;MM243209;CC(C#N)(CC=O)NC=O;GPYWEQQBNWDDCN-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243210;MM243210;C=CCC(C)(C=C)NN=C;UTJRJASNTQGHSN-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243211;MM243211;C=CC(C)(CC=O)OC=O;DOZVHZIOYKRICX-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243212;MM243212;C=COC(C)(C#N)CC#N;RPWCIZPLSHTZQM-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243213;MM243213;CC(C=O)(CC#N)OC=O;POSBCOARUUPIHY-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243214;MM243214;CC(C#N)(CC=O)OC=O;GKMKJGKALCHWBN-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243215;MM243215;C=COC(C)(C=O)OC=C;RWPKHZHEYXKWJW-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243216;MM243216;C=COC(C)(C#N)OC=C;KULIOEROQWDSGU-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243217;MM243217;C=COC(C)(C#N)OC=O;SKXMQKYNVOHEEB-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243218;MM243218;C=COC(C)(C#N)ON=C;NQQPCEDIRSSRPP-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243219;MM243219;C#CCC(C)(C=C)CC=O;RHVBUCMWBLEMKQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243220;MM243220;C#CCC(C)(C#N)CC#N;ZUFWTAAQXFCUJA-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243221;MM243221;C#CCC(O)(C=O)CC=O;DUUDYTGJMQMFCT-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243222;MM243222;C#CCC(F)(C#N)CC=O;VJXACNNMQABKME-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243223;MM243223;C#CCC(C)(C#N)NC=N;CFICRQPOEKXXJS-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243224;MM243224;C#CCC(O)(C#N)CC#C;XLJCSJSXAVCWDS-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243225;MM243225;C#CC(C)(CCN)CCF;ILJVXGWOGKKXGP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243226;MM243226;N#CC=CC(F)C(=N)NO;YGTIKWBVHZEZAL-UHFFFAOYSA-N;143.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243227;MM243227;C#CC(N)(CCC)CCC;OOTFUIFRKQZJBL-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243228;MM243228;C#CC(N)(CCC)CCF;AIVIIFGGLKJTQN-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243229;MM243229;C#CC(N)(CCN)CCF;TWQIGEDTVFPWHT-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243230;MM243230;C#CC(O)(CCC)CCN;XNXOXQKFABGCAQ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243231;MM243231;C#CC(O)(CCC)CCO;SVMBFWXDQLXBRI-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243232;MM243232;C#CC(F)(CCO)CCF;VBORXTDLEAVMMC-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243233;MM243233;C#CC(F)(CCF)CCF;XVBWVUVWSSKVTL-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243234;MM243234;C#CC(C)(CCF)CNC;YYRDSLMTYAKGOY-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243235;MM243235;C#CC(N)(CCF)CNC;BZVVAISEUUBOJC-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243236;MM243236;C#CC(N)(CCO)COC;FESLYIILMVOKJH-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243237;MM243237;C#CC(O)(CCN)COC;FQVHZJPCUAXWKS-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243238;MM243238;C#CC(O)(CCO)COC;IIOBQEGWHBREGA-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243239;MM243239;C#CC(O)(CNC)COC;RTIGXJINKSQWOD-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243240;MM243240;C#CC(C)(COC)COC;GSAYZFHPLPTOFS-UHFFFAOYSA-N;142.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243241;MM243241;C#CC(C)(CCN)OCC;FJZODHLBWXHXQL-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243242;MM243242;C#CC(C)(COC)OCC;ZIWZGLBUIIENEE-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243243;MM243243;C#CC(C)(CC=C)CCN;BKDVSWMHZBMCMQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243244;MM243244;C#CC(C)(CC=C)CCF;QEQQMEKOZKNLEW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243245;MM243245;C#CC(C)(CC=O)CCF;KHJMOFNMNXCQGD-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243246;MM243246;C#CC(N)(CC=C)CCC;AEDLVRPEIMSPNM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243247;MM243247;C#CC(O)(CC#N)CCO;LXIDYWUQBOUEOL-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243248;MM243248;C#CC(F)(CC=O)CCF;WUGLSDXGSJHJIJ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243249;MM243249;C#CC(C)(CC=C)CNC;QNBJEIDAQWFNHW-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243250;MM243250;C#CC(C)(CC#N)COC;SUQRHFFKWFGZPI-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243251;MM243251;C#CC(F)(CC#N)COC;FXOCJQUNIJADAW-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243252;MM243252;CCC#CC(F)C(=N)NO;HWKPVDXWIVXTPZ-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243253;MM243253;C#CC(C)(CNC)NN=C;FSUYUKBCVSSZMY-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243254;MM243254;C#CC(C)(COC)NC=N;XMKQHRZGAAJWRT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243255;MM243255;C#CC(C)(COC)NC=O;DUNWGNUUYKVAFG-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243256;MM243256;C#CC(C)(CCO)OC=C;VJJGJLIVMIINEV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243257;MM243257;C#CC(C)(COC)OC=C;CDAAHSMAIPOSJH-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243258;MM243258;C#CC(C)(COC)ON=C;SJUQNSPKWGWHEL-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243259;MM243259;C#CC(C)(CC=O)NCC;YUSSWOZAOUGORZ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243260;MM243260;C#CC(C)(CC#N)OCC;IHBVDYPVQPVENK-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243261;MM243261;C#CC(C)(OC=O)OCC;NUUUWFYLJJNOBX-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243262;MM243262;C#CC(C)(OCC)ON=C;LDJZZNSAVXOSND-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243263;MM243263;C#CCC(N)(C#C)CCO;KJAHBROHZKPNOO-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243264;MM243264;C#CCC(N)(C#C)CCF;TYCSAVRCIORXEE-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243265;MM243265;C#CCC(O)(C#C)CCN;REVRVAQTZTUNNZ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243266;MM243266;C#CC(C)(CC=C)CC=O;AAEHUHNVDPZGBY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243267;MM243267;C#CC(C)(CC=O)CC=O;JXUAAZXEKKOLTG-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243268;MM243268;C#CC(O)(CC=C)CC=C;GQPVGGLZPARJSD-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243269;MM243269;C#CC(C)(CC=C)NC=N;JCDSHSYCRCJDOW-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243270;MM243270;C#CC(C)(CC=C)NN=C;QATUBZPKLUVIRJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243271;MM243271;C#CC(C)(CC#N)OC=C;ZSUREGSXUYPJOV-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243272;MM243272;C#CC(C)(CC#N)ON=C;DDQDIYNJESYGGZ-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243273;MM243273;C#CC(C)(OC=C)OC=C;WFGCEGGLFGEBKR-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243274;MM243274;C#CC(C)(OC=C)OC=O;IJLBSESGOPVJAE-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243275;MM243275;C#CC(C)(OC=C)ON=C;LZIIYVVPSLMHSZ-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243276;MM243276;C#CCC(O)(C#C)CC#N;XCDQFSVWYRDSRZ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243277;MM243277;CCC(C)(C=CF)CCN;YJGGIHXLSXZXKB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243278;MM243278;CCCC(C)(C=CF)CN;KCRHYZWJWZJNRM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243279;MM243279;CC=CC(C)(CN)CCN;ACHABGOXZBVNCS-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243280;MM243280;CC(C=CF)(CN)CCN;CCXFWSZNWCKXDW-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243281;MM243281;CC=CC(C)(CN)CCO;XHBLHIBRCDMRNV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243282;MM243282;CC=CC(C)(CN)CCF;JSZKBSRZDOLSIJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243283;MM243283;CC(C=CF)(CN)CCF;MAPMUTDNWHUKDN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243284;MM243284;CC=CC(C)(CF)CCN;TZUOBXQOMWYLIC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243285;MM243285;CC(C=CF)(CF)CCN;BOORYUXUTBJHKQ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243286;MM243286;CC(C=CF)(CF)CCF;YPKURIKQSLINRC-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243287;MM243287;CCC(N)(C=CF)CCF;ULQLXVFKAOQYGV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243288;MM243288;NCC(N)(C=CF)CCF;FGONSGNSJJWYJW-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243289;MM243289;CC=CC(N)(CO)CCO;XJQOBPPZZKBOOP-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243290;MM243290;CC=CC(N)(CF)CCN;GAHNYCPVKRQDEU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243291;MM243291;CC=CC(N)(CF)CCF;PFEBIZWUQMHVAK-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243292;MM243292;CCC(O)(C=CF)CCF;IPKNZJKBSDUVQZ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243293;MM243293;OC(C=CF)(CF)CCF;DMXMEGAUVDLUPR-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243294;MM243294;CCC(F)(C=CF)CCN;AQHFZLWCFGRJKQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243295;MM243295;CCCC(F)(C=CF)CN;AMYMDFJMDYHTFF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243296;MM243296;CC=CC(F)(CN)CCN;RFBQJXBEAZNFOR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243297;MM243297;NCCC(F)(C=CF)CN;QXMDPNDJRDOCFD-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243298;MM243298;CC=CC(F)(CN)CCF;XTXKWDPPBJRNCE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243299;MM243299;NCC(F)(C=CF)CCF;AMMDJFFCEIBMLF-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243300;MM243300;NCCC(F)(C=CF)CF;TVHXOTOIFRCUIN-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243301;MM243301;OCCC(F)(C=CF)CF;XWSBLEIJOMROAK-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243302;MM243302;CCC(C)(C=NO)CCN;RXSWJXCIILKFMO-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243303;MM243303;CCCC(C)(C=NN)CF;KCVGCOOIXFVWRD-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243304;MM243304;CC(C=NN)(CF)CCF;FQXHRGLNXQSZQJ-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243305;MM243305;CC(C=NO)(CF)CCF;KEOWWVIHFKVHRG-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243306;MM243306;CCCC(N)(C=NO)CC;YNJOPLUPJUKJIB-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243307;MM243307;CCC(N)(C=NO)CCF;VHUWYOSMNCSAJR-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243308;MM243308;CCCC(N)(C=NO)CN;GLSZHSOGFYYYQF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243309;MM243309;N=C(NO)C(F)=CCCO;SWIXJUFACRYEAF-UHFFFAOYSA-N;148.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243310;MM243310;CCC(F)(C=NN)CCF;XUWWVPCZGIQTHR-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243311;MM243311;CCC(C)(C=CF)CNC;HBAMHWIIFKFPSU-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243312;MM243312;CC=CC(C)(CN)CNC;WQOKAAKXHVVVBM-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243313;MM243313;CC=CC(C)(CF)CNC;XNXQHDNAWOCRFQ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243314;MM243314;CNCC(C)(C=CF)CF;UUOZMBJNVPEMTJ-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243315;MM243315;CCC(N)(C=CF)CNC;NZLSLYZSPWTAJC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243316;MM243316;CCC(F)(C=CF)CNC;MGHZFJHJDBAQFD-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243317;MM243317;CNCC(O)(C=NN)CO;PMHVFJXNEJADTA-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243318;MM243318;C=CC(O)CCNCC#N;CTENNNBEGZXHOL-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243319;MM243319;O=c1[nH][nH]c(F)cc1=NO;AVGQRBMIVALQAN-UHFFFAOYSA-N;145.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243320;MM243320;CC=CC(C)(CCC)NC;XEIJSEJAKASQDQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243321;MM243321;CCCC(C)(C=CF)NC;FPUCESPEAYQXPQ-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243322;MM243322;CC=CC(C)(CCN)NC;CCQYXWMOXIDXQQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243323;MM243323;CNC(C)(C=CF)CCF;YSGOXQDNUNDHGG-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243324;MM243324;CNC(C)(C=NO)CCN;XVRMLGIHPDTOJF-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243325;MM243325;CC=CC(C)(CNC)NC;ZAYSGSJZVLXPSU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243326;MM243326;C=CCC(C)(C=CF)CN;QPULASNWUYVJFH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243327;MM243327;CC=CC(C)(CF)CC=O;DXPOYCYDNPXZTD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243328;MM243328;CC(C=CF)(CF)CC=O;WBBQRCZOEFXRLU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243329;MM243329;C=CCC(N)(C=CC)CF;ZKGJJVGVQRRDIK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243330;MM243330;C=CCC(N)(C=CF)CF;GZAODNFFIVPYBU-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243331;MM243331;C=CCC(O)(C=CC)CN;NHLUMLUFYHMHEK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243332;MM243332;C=CCC(O)(C=CF)CN;VJLMBHDPLIBZKB-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243333;MM243333;CC=CC(O)(CO)CC=O;ACUMLBLEJCDKMX-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243334;MM243334;O=CCC(O)(C=CF)CO;STUTYGAQWLWWRI-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243335;MM243335;N#CCC(O)(C=CF)CO;NHMRHMAVTBMBGR-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243336;MM243336;C=CCC(O)(C=CF)CF;YZQRBICYSYKDIJ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243337;MM243337;CC=CC(O)(CF)CC=O;QAAJXLOSCOHPDS-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243338;MM243338;C=CCC(F)(C=CC)CN;HJXUZVYBDSSXPS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243339;MM243339;N#CCC(F)(C=CF)CO;VABLBMKMRISRCQ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243340;MM243340;C=CCC(C)(C=NN)CF;SMUQMYDPNKBDNN-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243341;MM243341;C=CCC(N)(C=NO)CC;RWSYYGAHNJRAJB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243342;MM243342;C=CCC(C)(C=CC)NC;QFGDTHHXFWNJCW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243343;MM243343;C=CCC(C)(C=CF)NC;WZOGDHZRTYIIPU-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243344;MM243344;CC=CC(C)(CC=O)NC;ZEEIBCUIHWWAKK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243345;MM243345;C=CCC(C)(C=NO)NC;JDERHNYJICUBNC-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243346;MM243346;CC(C=CF)(CN)NC=N;VMXRYFBYJIJWIV-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243347;MM243347;CC=CC(C)(CO)NC=N;ZYTDWABZBZULTG-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243348;MM243348;CC=CC(C)(CO)NC=O;YVVIYIAGRUBPMN-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243349;MM243349;CC(C=CF)(CF)NC=N;FUFBBSUMRXNILF-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243350;MM243350;CC(C=CF)(CF)NC=O;UJORNANHVUANDX-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243351;MM243351;C=C(C=NN=CNO)CO;HLUOOEYFPUXRJO-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243352;MM243352;CCC(C)(C=NO)NC=O;XUKFVPMFTJZYIQ-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243353;MM243353;C=NNC(C)(C=CC)CC;AJGLWCGOXLELNF-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243354;MM243354;C=NNC(C)(C=CF)CC;NKBGEWCHOZAUHX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243355;MM243355;C=NNC(C)(C=CC)CN;YVRQDGWUQXOIAT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243356;MM243356;C=NNC(C)(C=CF)CF;WHPKZNGKKVDFHB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243357;MM243357;C=NOC(C)(C=CC)CN;IMWKPCSEQYBBKN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243358;MM243358;C=COC(C)(C=NN)OC;OIGYRJGTGUURQP-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243359;MM243359;OCC(C=C(F)F)=NO;SBNXZAXBYYRDBO-UHFFFAOYSA-N;137.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243360;MM243360;C#CCC(C)(C=CF)CN;FXMZASBXJAXGFZ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243361;MM243361;C#CCC(N)(C=CC)CN;QPTYQTHVOCPQIJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243362;MM243362;C#CCC(C)(C=NO)CN;ZWNIOCOFQJJVJM-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243363;MM243363;C#CCC(C)(C=NO)CF;CEVCTTQQYHJTAK-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243364;MM243364;C#CCC(C)(C=CC)NC;RWQCPZUWBNBDBH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243365;MM243365;C#CCC(C)(C=CF)NC;VBCCTEJRFKHOLJ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243366;MM243366;C=CC(C)(C=CF)CCN;GCLJVTMZXUVESK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243367;MM243367;C=CC(C)(C=CF)CCF;NKFAFHUEXGPXCW-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243368;MM243368;CCCC(C)(C=O)C=CF;KOEDXNVVLATYHZ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243369;MM243369;CC(C=O)(C=CF)CCF;PAOHDXUFOLVEFX-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243370;MM243370;C=CC(N)(C=CC)CCF;GLYPXGCXHXRISU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243371;MM243371;C=CC(O)(C=CF)CCN;UKLMJTJKSYIPRG-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243372;MM243372;CC=CC(O)(C=O)CCO;VYBQDSVXAQXDHU-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243373;MM243373;N#CC(O)(C=CF)CCO;YJYKVHXRFRHAEE-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243374;MM243374;C=CC(C)(C=NO)CCF;YADULYPPGZBNGP-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243375;MM243375;CCCC(C)(C=O)C=NO;JGYVKMKWWXTWEG-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243376;MM243376;N#CCC(O)(C#N)C=NO;IPJNRGKHWJEMLD-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243377;MM243377;C=CN(C)C=NN=CCO;VBQWENBOMOSYCV-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243378;MM243378;C=CC(C)(C=CF)CNC;UMPWKWIQTRGMIB-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243379;MM243379;C=CC(O)(C=NN)CNC;PPWCXTDZBKFLBF-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243380;MM243380;C=CC(F)(C=NN)CNC;VVBOXTAJWGHONF-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243381;MM243381;COCC(O)(C=O)C=CF;HYCOQGCUWQTAGX-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243382;MM243382;CCn1[nH]c(=O)n(N)c1=O;LAUYWCXPIWODAJ-UHFFFAOYSA-N;144.13;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243383;MM243383;C=CC(C)(C=CF)CC=O;GJKOJRIZFSLQBZ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243384;MM243384;CC=CC(C)(C=O)CC=O;BBNOHCHBTCIPGS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243385;MM243385;CC(C#N)(C=CF)CC#N;YNRHDJLEIYXFKR-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243386;MM243386;C=CCC(C)(C=C)C=NN;SWHQSBITBQWSNF-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243387;MM243387;C=CCC(C)(C=O)C=NO;REOLRLNGSQGHGC-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243388;MM243388;CC(C=O)(C=NO)CC=O;JZGRQSUVWBGCHG-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243389;MM243389;CCCN=c1[nH]oc(=O)o1;ZXRKBYDIACLZMW-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243390;MM243390;C=Cc1[nH]nc(NN)c1O;RGYSKVREDCXHQF-UHFFFAOYSA-N;140.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243391;MM243391;O=c1nnc(O)c(CF)o1;DCHYVVODPVUUST-UHFFFAOYSA-N;146.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243392;MM243392;O=c1[nH]c(F)c(O)n1O;RDDCPIKQIQXGIK-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243393;MM243393;CC=CC(C)(C#N)NC=N;DWDJBPWEKSBSJD-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243394;MM243394;CC(C#N)(C=CF)NC=N;WZDIYDIVRRLVED-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243395;MM243395;CC(C#N)(C=CF)NC=O;ASKRYNPXRJMANI-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243396;MM243396;C=CC(C)(C=CC)NN=C;BPPWVNZGRCPAJM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243397;MM243397;C=CC(C)(C=CF)NN=C;FQOQVVZPTBTODW-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243398;MM243398;CC(C=O)(C=CF)OC=O;PTIDKQPNKRCNQZ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243399;MM243399;CCc1nc(F)c(O)o1;JFIGUCXWBVAFGD-UHFFFAOYSA-N;131.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243400;MM243400;C#CCC(O)(C=O)C=CC;PRLZNXODZSGGON-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243401;MM243401;C=CC(=O)C(CO)NN=C;FBCZSAAWBQEOFU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243402;MM243402;C=C(C)C(C(=O)O)C(C)O;KISWHEAPUPYHLY-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243403;MM243403;C#CC(C)(C=CF)CCF;UEBPOKYVGVEOTD-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243404;MM243404;C#CC(N)(C=CC)CCF;QECULSYJBXXYIR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243405;MM243405;C#CC(N)(C=CF)CCF;RNIVIOWYIAOMHQ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243406;MM243406;C#CC(C)(C=NO)CCC;NDKLLXQWSUJHPD-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243407;MM243407;CNN=C(NO)C(N)CF;OBSXMKKMKDQVIF-UHFFFAOYSA-N;150.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243408;MM243408;C=CC(C)C(=NOC)NO;PFLGDBATZTWZLB-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243409;MM243409;C#CC(C)(C=CF)CNC;ZZQQUKRATFWEQA-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243410;MM243410;C#CC(N)(C=CF)CNC;DQTSEEIVWNKSAL-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243411;MM243411;C#CC(C)(C=NN)OCC;CQMRCNGCOBKOSE-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243412;MM243412;C#CC(C)(C=CC)CC=O;FLFBJQMGRODHSA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243413;MM243413;C#CC(N)(C=CC)CC=C;UGDZJTKNDZAYFP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243414;MM243414;C#CC(N)(C=CF)CC=C;ZKBLGADMEAFGGZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243415;MM243415;C#CC(O)(C=CC)CC=O;XJUPPDWVVXKKSZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243416;MM243416;C#CC(C)(C=NN)CC=C;PEXNDOCYAORZJQ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243417;MM243417;C#CC(C)(C=NO)CC=C;SIMUJURPBWMXOD-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243418;MM243418;C#CCC(C#N)=NO;OLSDRKRPHBXKJS-UHFFFAOYSA-N;108.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243419;MM243419;C#CC(C)(C=NN)OC=C;KMDPOVYYCLNSPS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243420;MM243420;C=C(F)C(=NO)C(O)C=O;QDQBFASWYJMZGI-UHFFFAOYSA-N;147.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243421;MM243421;CC#CC(C)(CN)CCO;HQDLXIXHFFDPQW-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243422;MM243422;CC#CC(C)(CN)CCF;RVNPVDFWXCTNSL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243423;MM243423;CC#CC(N)(CC)CCN;FGIPSVUYRYGGAH-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243424;MM243424;CC#CC(N)(CC)CCO;IYFTXWGKAMKLPC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243425;MM243425;CC#CC(N)(CN)CCF;URCWBFXMEOSJKS-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243426;MM243426;CC#CC(O)(CO)CCF;QMEHQSXOEBFMHO-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243427;MM243427;CC#CC(C)(CN)CNC;HLEPLMDTXSFLBA-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243428;MM243428;CC#CC(C)(CO)CNC;KQZMPKVGNJKSKY-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243429;MM243429;CC#CC(O)(CC)CNC;PATMOYMSHDFUIM-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243430;MM243430;CC#CC(O)(CF)CNC;UJEYGBGRDKBJAB-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243431;MM243431;CC#CC(O)(CF)COC;GMFRDJUKHCQAPR-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243432;MM243432;CC#CC(C)(CCF)NC;KNTGTFRVJSNNDQ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243433;MM243433;CC#CC(C)(CNC)NC;FLSAEUBLEPAHLK-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243434;MM243434;CC#CC(C)(COC)OC;FFAWRBZUWLTSAY-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243435;MM243435;CC#CC(C)(CO)NCC;LITPATLFHASYTB-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243436;MM243436;CC#CC(C)(OC)OCC;CDADUYKUFRVRFH-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243437;MM243437;CC#CC(C)(CC)CC#N;TVJPQIXZXIFJQN-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243438;MM243438;C=CCC(N)(C#CC)CC;BRLKZCOZOBKLNV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243439;MM243439;C=CCC(O)(C#CC)CF;ACJQBWVRAKRJMJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243440;MM243440;CC#CC(C)(CC#N)OC;RAKZBCDLGZLWRU-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243441;MM243441;CC#CC(C)(CC)NC=N;RWGQRSRHRJGQDO-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243442;MM243442;CC#CC(C)(CN)NC=O;GTBFUXVDRAYNIB-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243443;MM243443;C=NNC(C)(C#CC)CC;VYGTYTPNHWILGA-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243444;MM243444;C#CC(F)C(=NCC)NO;RHCRGLXIYWETPI-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243445;MM243445;C=COC(C)(C#CC)OC;YZFFQEFTNAYMED-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243446;MM243446;C#CCC(C)(C#CC)CC;TUWFDKHXBPJATK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243447;MM243447;CC#CC(C)(C#N)CCO;MLPUMJJLYLPOAT-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243448;MM243448;C=CC(O)(C#CC)CCN;YSUPBVCSIIDUIW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243449;MM243449;C=CC(O)(C#CC)CCF;SSYMPMORYPVJKY-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243450;MM243450;CC#CC(F)(C=O)CCO;SBNFMXFKZXANAL-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243451;MM243451;C=CC(C)(C#CC)CNC;LONZBXOAMCEUAL-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243452;MM243452;CC#CC(C)(C#N)COC;HWTMTYPRCITORN-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243453;MM243453;CC#CC(F)(C=O)COC;VMEPRTHPDQBNSL-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243454;MM243454;CC#CC(C)(C#N)OCC;RWTAZOZAJBQZQX-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243455;MM243455;C=CCC(C)(C#N)C#CC;RCJMRLHSOWJGTQ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243456;MM243456;CC#CC(C)(C#N)CC=O;ICWQQNIQKWMVCQ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243457;MM243457;CC#CC(C)(C#N)CC#N;NWLUXIKKFDTNED-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243458;MM243458;C=CC(O)(C#CC)CC=O;YVIJKIITCQZXDL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243459;MM243459;C=CCC(O)(C#CC)C=O;NGDDUTUYNIOPPL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243460;MM243460;CC#CC(F)(C=O)CC#N;UJLORIGOXMSNQB-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243461;MM243461;CC#CC(C)(C#N)NC=O;MANLFSFMIXGDJQ-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243462;MM243462;CC=NN=C(CC=O)NO;YQPFPDLPXFUGDO-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243463;MM243463;CC#CC(C)(C#N)OC=O;ONEUKJORHQLQNR-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243464;MM243464;C=NOC(C)(C#N)C#CC;RCNIBMBJWFJBBB-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243465;MM243465;C#CCC(C)(C#N)C#CC;UIFVVEVDKBFAGE-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243466;MM243466;C#CC(C)(C#CC)CCN;MAFSMISZUJZAOE-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243467;MM243467;C=CC(=N)N(N=C)C(N)=O;LKANXYHUMCFUSN-UHFFFAOYSA-N;140.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243468;MM243468;C#CC(F)(C#CC)COC;NKXFLHHUVGGLSU-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243469;MM243469;C#CC(C)(C#CC)OCC;MHDPDXYYPUFPQX-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243470;MM243470;C#CC(F)(C#CC)CC#N;QKVLEZXHCWXQRF-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243471;MM243471;C#CC(C)(C#CC)NC=O;PFDZSMUXWBLCJS-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243472;MM243472;C#CC(C)(C#CC)OC=O;KSAOZJCSSSWECL-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243473;MM243473;C#CC(C)(C#CC)ON=C;MIUHQBCMLZYGQP-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243474;MM243474;CC=CC(C)(C=CF)CN;NVYDPHQWUVQACF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243475;MM243475;CC(C=CF)(C=CF)CN;XQGZIOBWVPGXIB-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243476;MM243476;CCC(N)(C=CF)C=CF;GJZUXERWJGMNNM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243477;MM243477;CC=CC(N)(C=CC)CN;GACZUZCADLHFMO-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243478;MM243478;CC=CC(N)(C=CF)CN;GWFSTOYQFNMTNA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243479;MM243479;NCC(N)(C=CF)C=CF;UFNSXWXCJQKMCH-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243480;MM243480;CC=CC(O)(C=CF)CN;XKDOKLPNDGVFSO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243481;MM243481;CC=CC(C)(C=NO)CN;BKKRJJJIDFPBEA-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243482;MM243482;CC=CC(N)(C=NO)CN;VUXHCXBKOOHBJW-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243483;MM243483;NN=CNC(=CF)C(N)=O;OVWPVNHHMGFQSA-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243484;MM243484;CCC(C)(C=NN)C=NN;PKFUZFLMTMYKBK-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243485;MM243485;Cc1onc(O)c1N;OLPILCGJQNQZSZ-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243486;MM243486;C=NN(C=NNC)C(N)=O;GJDNDMVVLXKQAC-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243487;MM243487;CONC(=O)C(=NN)OC;BEYOHAZXMCTXOZ-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243488;MM243488;C=NN=c1nc(O)n(O)o1;MGBGXOKNWCERSI-UHFFFAOYSA-N;144.09;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243489;MM243489;CC=CC(C)(C=CF)NC;VASYSBPRYSRPPD-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243490;MM243490;CNC(C)(C=NN)C=NN;CDPQHHOXODECBC-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243491;MM243491;COC(C)(C=NN)C=NN;WYTRQWCYTWVZTI-UHFFFAOYSA-N;144.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243492;MM243492;C=Cc1[nH]nc(C#N)c1O;CMJJVZRRBLEUDX-UHFFFAOYSA-N;135.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243493;MM243493;C=CC(C)(C=NN)C=NN;YBQMKQCKXBQUJT-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243494;MM243494;C#CC=CC(=NN)N(C)O;POKBHAMCDGVGML-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243495;MM243495;ON=c1[nH]cc(F)o1;LEIHELQTMWDZCI-UHFFFAOYSA-N;118.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243496;MM243496;N=c1nnc(=O)[nH]c(N)n1;BQRDPNXIUJLXBC-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243497;MM243497;C=C(CC=NNC)C(=O)O;FNORXGMXAVETJD-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243498;MM243498;C#CC(C)(C=CF)C=NN;XHMQJCBXZQYFMY-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243499;MM243499;C#CC(O)(C=NN)C=NN;NOWTXKSOOSJVCU-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243500;MM243500;C=NN(C)CC(=C)C(=O)O;LIZVVEYQEVOBLJ-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243501;MM243501;C=NNCC(=CC)C(=O)O;WVOJPGDTWUBUBE-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243502;MM243502;Nn1c(O)c(F)oc1=NO;GSANOVAUDLHDJH-UHFFFAOYSA-N;149.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243503;MM243503;COC(C)=CCC(=O)O;DVIUULCFCPMRJY-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243504;MM243504;CC#CC(N)(C=CF)CC;AMNBIJONWUKWKZ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243505;MM243505;CC#CC(C)(C=NO)CN;RXGRLRUJDPJPMH-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243506;MM243506;Cn1c(=O)c(CO)cn1N;XWWPEISAKBBVMK-UHFFFAOYSA-N;143.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243507;MM243507;CCOC=CCC(=O)O;VSTIFWXPAUAKLV-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243508;MM243508;O=c1oc(O)c(C2CO2)o1;HDANVPUUIAZERX-UHFFFAOYSA-N;144.08;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243509;MM243509;CC#CC(C)(C#N)C=CF;ZOOSKCKSWHRBRX-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243510;MM243510;Cn1cc(CO)c(=O)n1N;UDULLTQXANMXKS-UHFFFAOYSA-N;143.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243511;MM243511;C#Cc1nc(F)c(O)o1;CWMUQYCSMCJMCE-UHFFFAOYSA-N;127.07;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243512;MM243512;CCC(O)CC(=O)O;REKYPYSUBKSCAT-UHFFFAOYSA-N;118.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243513;MM243513;CC#CC(O)(C#CC)CO;URELXWTZGYERDT-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243514;MM243514;CC#CC(F)(C#CC)CO;VNXUSFNPRILLPH-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243515;MM243515;CC#CC(C)(C#CC)OC;ZVQLMLIWRAJLKR-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243516;MM243516;C=CC(C)(C#CC)C#CC;LWMVVGUTJVSIIO-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243517;MM243517;CC#CC(C)(C#N)C#CC;AOXLCCWOWABGSP-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243518;MM243518;CC#CC(O)(C#CC)C=O;WLDRBLJBFKPOKM-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243519;MM243519;CC#CC(O)(C#N)C#CC;ITFMWZBBCOBZBZ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243520;MM243520;CC#CC(F)(C#N)C#CC;OAJZPTJNMVMWPZ-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243521;MM243521;C#CC(O)(C#CC)C#CC;CSPNNQUCZVZYGG-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243522;MM243522;CC(C)C(C)(CN)CCN;HMPLGECAXLTSSX-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243523;MM243523;CC(C)C(C)(CN)CCF;NSFYPPPLERDZIK-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243524;MM243524;CC(N)C(C)(CN)CCO;MMMSLPRWNSQNHP-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243525;MM243525;CC(N)C(C)(CF)CCO;YNQMQVYFNHXAMS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243526;MM243526;CC(N)C(C)(CF)CCF;VXELVWIVLUNXAI-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243527;MM243527;CC(O)C(C)(CO)CCO;ADLXMEKGSGVILS-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243528;MM243528;CC(O)C(C)(CF)CCN;SAULRLLGOHOQTO-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243529;MM243529;CC(O)C(C)(CF)CCF;YHNWSZGWEMOPAR-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243530;MM243530;CCC(C)(CCN)C(C)F;DEVMNFXSANULMQ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243531;MM243531;CCCC(C)(CN)C(C)F;NFQGNFCQFOIVJD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243532;MM243532;CC(F)C(C)(CN)CCN;XKOFFBNJGQEREG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243533;MM243533;CC(F)C(C)(CN)CCF;LFXNKFMOZSCVTF-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243534;MM243534;CC(F)C(C)(CF)CCN;GNMDSJNJUYWMRN-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243535;MM243535;CC(F)C(C)(CF)CCF;BSTYRQANMFXDTG-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243536;MM243536;CC(CN)(CCN)C(F)F;UMJAFYPBTDTNNM-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243537;MM243537;CC(CN)(CCO)C(F)F;BMVYUJZUSBLFHK-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243538;MM243538;CC(CN)(CCF)C(F)F;OLNUVUSWJOICLI-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243539;MM243539;CC(CO)(CCO)C(F)F;KSSVVJXWHBIFKF-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243540;MM243540;CC(CF)(CCF)C(F)F;VDABNWZQZAVHBO-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243541;MM243541;CCC(N)(CCO)C(C)C;WEZXABBXODADKS-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243542;MM243542;CCC(N)(CCF)C(C)C;WIDSAERADGTAMT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243543;MM243543;CC(C)C(N)(CN)CCN;SHRJVQQVXAEMSN-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243544;MM243544;CC(C)C(N)(CN)CCO;WNPLJPMGHPBHOK-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243545;MM243545;CCCC(N)(CF)C(C)C;WRNSDHFYSZPXOV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243546;MM243546;CCC(N)(CCF)C(C)N;VPKMSGFPFVTDCO-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243547;MM243547;CC(F)C(N)(CN)CCF;YANDYPSNMOKLNW-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243548;MM243548;NCCC(N)(CO)C(F)F;YUFFDPUXMPDHCU-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243549;MM243549;CCCC(O)(CN)C(C)C;WHBJTVWMLHDTIN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243550;MM243550;CC(C)C(O)(CN)CCN;ZACVDQVAROEBMY-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243551;MM243551;CC(C)C(O)(CO)CCO;DHZIZNODPHFQCG-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243552;MM243552;CC(C)C(O)(CF)CCN;DMEYPAGNTLKMFE-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243553;MM243553;CC(C)C(O)(CF)CCF;BXBYXBGNKXZMKJ-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243554;MM243554;CC(N)C(O)(CF)CCF;RIBJVAWFGCOUIZ-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243555;MM243555;CC(O)C(O)(CF)CCO;JVAZLEZMOFTGQO-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243556;MM243556;CCCC(O)(CN)C(C)F;NXIILROTXBPUOJ-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243557;MM243557;CC(F)C(O)(CN)CCF;HXTQMDLNKQGWFT-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243558;MM243558;CC(F)C(O)(CF)CCF;XMFUBKNHDYHGHR-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243559;MM243559;NCCC(O)(CF)C(F)F;DRCHQDHZCVXNEP-UHFFFAOYSA-N;157.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243560;MM243560;CCC(F)(CCN)C(C)C;OKXDRMPGXAIELQ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243561;MM243561;CCCC(F)(CN)C(C)C;BDAYWBIDNAUUFF-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243562;MM243562;CC(C)C(F)(CN)CCN;SGLBAWCVEQCOLU-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243563;MM243563;CC(C)C(F)(CN)CCO;UXDQKERPSAWCLU-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243564;MM243564;CC(C)C(F)(CN)CCF;YWVBDSMJUGAXTQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243565;MM243565;CC(C)C(F)(CO)CCN;YSIDJUOMLSBCBN-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243566;MM243566;CC(O)C(F)(CO)CCO;IXFPFPGKRHFROD-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243567;MM243567;CC(F)C(F)(CN)CCN;BKHRPCYSPDLHKG-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243568;MM243568;CC(F)C(F)(CN)CCO;BSCUZKOUGHHDCH-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243569;MM243569;NCC(F)(CCO)C(F)F;YFYFIMMQZQHKBZ-UHFFFAOYSA-N;157.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243570;MM243570;NCCC(F)(CO)C(F)F;IVPIXPSJPSCZMM-UHFFFAOYSA-N;157.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243571;MM243571;OCCC(F)(CO)C(F)F;MVSVJDGUEIFJDB-UHFFFAOYSA-N;158.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243572;MM243572;CCC(C)(CNC)C(C)C;HWVSTHQARRJCRF-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243573;MM243573;CNCC(C)(CO)C(C)C;BFUMOXPVJGOJJL-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243574;MM243574;CNCC(C)(CF)C(C)C;GEJNOGLJOMFPBY-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243575;MM243575;CNCC(C)(CN)C(C)N;WLVDOJGGIXEVQP-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243576;MM243576;CNCC(C)(CN)C(C)O;JBWZZGHFTIUWKL-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243577;MM243577;CCC(C)(CNC)C(C)F;ULBKMHBKNQROKL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243578;MM243578;CNCC(C)(CF)C(C)F;HGRFLKOCECFAAK-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243579;MM243579;CCC(N)(CNC)C(C)C;OMUAZIQLWCIGJD-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243580;MM243580;CNCC(N)(CN)C(C)C;MSJVWMPTJQBEBA-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243581;MM243581;CNCC(N)(CF)C(C)F;QWWRIVVLLPQXQD-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243582;MM243582;CNCC(N)(CO)C(F)F;SZOHPORDIFMCRZ-UHFFFAOYSA-N;154.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243583;MM243583;CNCC(N)(CF)C(F)F;VHBYVPCVVYEZOV-UHFFFAOYSA-N;156.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243584;MM243584;CNCC(O)(CO)C(C)O;CFQUOMBXRCBVQY-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243585;MM243585;CNCC(O)(CO)C(F)F;GZUHYDFLSRKMLL-UHFFFAOYSA-N;155.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243586;MM243586;CCC(F)(CNC)C(C)C;KOSBIUBPIJCHPN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243587;MM243587;CNCC(F)(CF)C(C)C;GPRVKJCXRLJFTC-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243588;MM243588;COCC(C)(CN)C(C)C;PCFDFQJLMZCPHK-UHFFFAOYSA-N;145.25;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243589;MM243589;CCC(N)(COC)C(C)C;QZKOFYIJQMDTRH-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243590;MM243590;COCC(N)(CN)C(C)C;HNIQFDGCGTTZMJ-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243591;MM243591;COCC(N)(CO)C(C)O;LVYATOCZYCCUML-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243592;MM243592;COCC(O)(CO)C(C)N;SQDWQVWGMTVHNY-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243593;MM243593;COCC(O)(CO)C(C)O;IFMIOFLDWVIIMT-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243594;MM243594;COCC(O)(CF)C(C)F;UUTBZRAGSKDZDH-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243595;MM243595;COCC(F)(CO)C(C)N;MWMCSPOUWOIDBH-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243596;MM243596;COCC(F)(CO)C(C)O;CCIADORZZRXPMA-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243597;MM243597;COCC(F)(CO)C(C)F;ABDLREOYRFJVMI-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243598;MM243598;COCC(F)(CO)C(F)F;IYBXFZCZSVWWFX-UHFFFAOYSA-N;158.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243599;MM243599;CNC(C)(CCN)C(C)C;OYPFMSHDVVAMHX-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243600;MM243600;CNC(C)(CCO)C(C)C;PCLIQLVIRZYSFY-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243601;MM243601;CNC(C)(CCF)C(C)C;QFCYHVGFADRCQM-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243602;MM243602;CNC(C)(CCO)C(C)F;OMIWAAJDHSJYEK-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243603;MM243603;CNCC(C)(NC)C(C)C;GLIPZPZMFVQJSR-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243604;MM243604;CNCC(C)(NC)C(C)N;WCKXYOSEPHEWIG-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243605;MM243605;CCNC(C)(CN)C(C)C;JJSFLNDAWUCXBJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243606;MM243606;CCNC(C)(CC)C(C)N;SHIHFHDMPVBWJF-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243607;MM243607;CCOC(C)(CN)C(C)C;XZOQXIPWSVYOSK-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243608;MM243608;CCOC(C)(OC)C(C)N;YQXDUQKRCDIUMX-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243609;MM243609;CCOC(C)(OC)C(C)O;MASVCTKKUXGCOL-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243610;MM243610;CCOC(C)(OC)C(F)F;DSOMTBWFAGJAQV-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243611;MM243611;CCC(C)(CCN)N(C)C;JEFIGQAAZBZNTI-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243612;MM243612;CCC(C)(CNC)N(C)C;QCYBJYQCCXDTGL-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243613;MM243613;C=CCC(C)(CN)C(C)C;GKLIMWQRMFHKHJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243614;MM243614;CC(C)C(C)(CO)CC=O;ALECTKWWUABWQR-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243615;MM243615;CC(C)C(C)(CF)CC=O;FMOGJZCIIFVHON-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243616;MM243616;C=CCC(C)(CF)C(C)N;MTXBJXMHFVXSDP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243617;MM243617;C=CCC(C)(CN)C(C)O;CCVAEYYVTXLLPW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243618;MM243618;CC(O)C(C)(CF)CC=O;IASRZDGSLJEXFY-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243619;MM243619;C=CCC(C)(CN)C(C)F;FOUONRWYCGPYSE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243620;MM243620;CC(F)C(C)(CF)CC=O;MHOFUKOGFWUHFH-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243621;MM243621;C=CCC(N)(CC)C(C)C;IBGFFOJKJAXUML-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C4";;;;;;;3.53;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243622;MM243622;C=CCC(N)(CN)C(C)C;XVXYUFMYGIWHHI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243623;MM243623;C=CCC(N)(CF)C(C)C;WTCUAUVMAHQMDZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243624;MM243624;C=CCC(N)(CC)C(C)N;HMAHPFNWDIFZJV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243625;MM243625;C=CCC(N)(CN)C(C)O;LXXBBTGRHXOJED-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243626;MM243626;C=CCC(N)(CC)C(C)F;PVDAYBNBEGHKJX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243627;MM243627;CCC(O)(CC=O)C(C)C;BJGJEOBGNSKYJA-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243628;MM243628;CC(C)C(O)(CF)CC=O;VUGMZCNWRPZPPP-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243629;MM243629;C=CCC(O)(CO)C(C)N;FNYYFBLYHOJFKZ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243630;MM243630;C=CCC(O)(CO)C(C)O;YYFLZGBAUFABGR-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243631;MM243631;CC(O)C(O)(CF)CC=O;URCAUPNLJWYETJ-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243632;MM243632;CC(O)C(O)(CF)CC#N;NTIAXXMFENLYQJ-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243633;MM243633;CCC(O)(CC=O)C(C)F;VIDQSALVJDAJEC-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243634;MM243634;C=CCC(O)(CO)C(C)F;UCDZKINSTLNJHX-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243635;MM243635;CC(F)C(O)(CO)CC=O;DEPYNZDBWIMSEU-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243636;MM243636;CC(F)C(O)(CO)CC#N;IUKHALMZFFDTOQ-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243637;MM243637;C=CCC(O)(CO)C(F)F;OBBOVDYNJHUOHU-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243638;MM243638;O=CCC(O)(CO)C(F)F;BFHHFUHTCOMXOV-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243639;MM243639;C=CCC(F)(CN)C(C)C;OBFZIWFVBOQOFD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243640;MM243640;CC(O)C(F)(CO)CC=O;DJTUYUAFJOHITG-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243641;MM243641;C=CCC(F)(CN)C(C)F;DAIMKOJMMHXJJR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243642;MM243642;CC(F)C(F)(CO)CC#N;TWKHMFWZTBAIBQ-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243643;MM243643;C=CCC(C)(NC)C(C)C;GXKPPQQSWBOXQW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243644;MM243644;CNC(C)(CC=O)C(C)C;XXJHAMFDAHFWMP-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243645;MM243645;CNC(C)(CC#N)C(C)C;OZWUJBPDNRNIMS-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243646;MM243646;C=CCC(C)(NC)C(C)N;MRGRTVBJXPJAHO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243647;MM243647;C=CCC(C)(NC)C(C)O;FYNJBAJGPBJWGV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243648;MM243648;C=CCC(C)(NC)C(C)F;JFBJJKLRSMJLMQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243649;MM243649;CNC(C)(CC=O)C(C)F;HOBUZVURUZOYTB-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243650;MM243650;COC(C)(CC#N)C(F)F;URMUMNPRXPCJAQ-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243651;MM243651;C#CC#CC1CN(O)C=N1;WIUHPMBVTIGIHM-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243652;MM243652;CC(C)C(C)(CN)NC=O;ISBTWZUWIVYSJP-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243653;MM243653;CC(C)C(C)(CF)NC=N;YAXFBWYMILRLCL-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243654;MM243654;CCC(C)(NC=O)C(C)O;PLRBXVANPTWDEQ-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243655;MM243655;N#CC(C=O)CNCCF;ZRABVKIMIVEPJC-UHFFFAOYSA-N;144.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243656;MM243656;CC(F)C(C)(CN)NC=N;JZMURCPOQZMVAB-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243657;MM243657;CC(F)C(C)(CO)NC=N;UICAUMBYKZDSGW-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243658;MM243658;CC(F)C(C)(CO)NC=O;MGTKNEIYOAVQCU-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243659;MM243659;C=NNC(C)(CC)C(C)C;JHZKTZBTEFZYBQ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243660;MM243660;C=NNC(C)(CC)C(C)F;OXBNIGPLFGTYQP-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243661;MM243661;N#CC(C=O)CNCC=O;ITCPYXGNLHCALA-UHFFFAOYSA-N;140.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243662;MM243662;C=COC(C)(CN)C(C)C;QNIAIZPOODOOKO-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243663;MM243663;C=COC(C)(CO)C(C)N;MXARJAJRVDRACB-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243664;MM243664;CC(N)C(C)(CF)OC=O;NWKPVWQOKKGWRI-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243665;MM243665;CC(F)C(C)(CF)OC=O;CWKKBLZMMPHFTE-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243666;MM243666;CC(CO)(OC=O)C(F)F;LTLLBDBNJAUNLT-UHFFFAOYSA-N;154.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243667;MM243667;C=NOC(C)(CN)C(C)C;NIISQPFOWXQVOK-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243668;MM243668;C=NOC(C)(CN)C(C)F;XHDAMWCXMUBFAN-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243669;MM243669;C=COC(C)(OC)C(F)F;XGJZZXNQYRKIBV-UHFFFAOYSA-N;152.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243670;MM243670;CCC(CO)NN=CNO;ZSCPYFPORYMLFZ-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243671;MM243671;C=NOC(C)(OC)C(F)F;QHTYYMBXIXUGOQ-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243672;MM243672;CCC(C)(CC=O)N(C)C;WVIYBPKYWIUNET-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243673;MM243673;C=CCC(C)(CF)N(C)C;CYORGNNYQNBSIL-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243674;MM243674;C#CCC(C)(CN)C(C)N;PTMBAWVAZLRNBH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243675;MM243675;C#CCC(C)(CN)C(C)F;UXTPRZJPRRKOFY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243676;MM243676;C#CCC(N)(CN)C(C)C;HFQXAZXMXTVZNK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243677;MM243677;C#CCC(N)(CN)C(F)F;XNADMFNRYAUZME-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243678;MM243678;C#CCC(O)(CN)C(C)C;XYPMYXHBVFZTGH-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243679;MM243679;C#CCC(O)(CC)C(C)O;ZMZNZGGMEQDNLU-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243680;MM243680;C#CCC(C)(NC)C(C)C;RPDHGWQBQCZKSE-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243681;MM243681;C#CCC(C)(NC)C(C)N;XLQWEYSHWFRIFB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243682;MM243682;C#CCC(C)(NC)C(C)F;FAVGQAUJSWCDNS-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243683;MM243683;C#CCC(C)(CO)N(C)C;JQULKBMWVAWSAR-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243684;MM243684;C=CC(C)(CCN)C(C)C;LDQJUIVCNDMLOK-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243685;MM243685;CC(C)C(C)(C=O)CCF;LSTUQIYGOCBAFK-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243686;MM243686;C=CC(C)(CCC)C(C)N;YFIUBZWLNSBXJR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243687;MM243687;C=CC(C)(CCN)C(C)N;FZOMGOLCAWEZEB-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243688;MM243688;C=CC(C)(CCF)C(C)N;DCAZXRIYJBUCQO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243689;MM243689;C=CC(C)(CCN)C(C)O;KXAJGPLYWQZEDT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243690;MM243690;C=CC(C)(CCO)C(C)O;YQVMHDRHILWHCB-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243691;MM243691;C=CC(C)(CCF)C(C)O;ZYZULASLVRVYQD-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243692;MM243692;CCCC(C)(C=O)C(C)O;JFGCLPZLRLLJBE-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243693;MM243693;C=CC(C)(CCN)C(C)F;BNCZZHZNHYTJCR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243694;MM243694;C=CC(C)(CCO)C(C)F;INKPLFRJKYPIPW-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243695;MM243695;CC(F)C(C)(C=O)CCO;ARISIZQXDYFOPH-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243696;MM243696;CC(F)C(C)(C=O)CCF;LMQBDXQHRQWZPT-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243697;MM243697;C=CC(C)(CCC)C(F)F;UQVRJQIXFYDNEA-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243698;MM243698;C=CC(N)(CCC)C(C)C;YSEMPKYPYFWWHJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243699;MM243699;C=CC(N)(CCF)C(C)C;YQYVYMLWNFZANS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243700;MM243700;C=CC(N)(CCC)C(C)N;BHUUBMDHENCHFS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243701;MM243701;C=CC(N)(CCF)C(C)F;QOUYNXYSCRCPFJ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243702;MM243702;CC(C)C(O)(C=O)CCF;VPCWYVGCRGQFEQ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243703;MM243703;C=CC(O)(CCN)C(C)N;NYGNYQONBZJCHP-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243704;MM243704;CCCC(O)(C=O)C(C)O;SVXNDLFYMGMCAB-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243705;MM243705;CC(O)C(O)(C#N)CCF;MPGJDPVCBPIQBY-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243706;MM243706;CCCC(O)(C=O)C(C)F;RWONGFSUHYHFRZ-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243707;MM243707;CC(F)C(O)(C=O)CCO;CAZCJWBORGARFX-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243708;MM243708;C=CC(O)(CCO)C(F)F;XJPVRGXTJSVIAR-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243709;MM243709;CC(C)C(F)(C#N)CCF;RMBLJUHNEQLJII-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243710;MM243710;C=CC(F)(CCO)C(C)N;BQGIHYQJRTUHGT-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243711;MM243711;C=CC(C)(CNC)C(C)C;WSNKCTGPZZKRDC-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243712;MM243712;CNCC(C)(C=O)C(C)C;CUXMYJAXYKGPBV-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243713;MM243713;C=CC(C)(CNC)C(C)N;OLZMIRTUIFEZOC-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243714;MM243714;C=CC(C)(CNC)C(C)F;WUXZOBQJJPYQMA-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243715;MM243715;C=CC(C)(CNC)C(F)F;UJYMEEINJXXBPH-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243716;MM243716;CNCC(O)(C=O)C(C)C;WMHMAURPPKFJTB-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243717;MM243717;C=CC(O)(CNC)C(C)N;VVBSHUAEBAPBJD-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243718;MM243718;CNCC(O)(C=O)C(C)F;NJRNYNAUZPRBCQ-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243719;MM243719;COCC(C)(C=O)C(C)F;ADIQQMRFQPDQEE-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243720;MM243720;COCC(O)(C#N)C(C)O;BVQMWFKVARWXOE-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243721;MM243721;C=CC(O)(COC)C(C)F;CRXHXNZUQBXENV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243722;MM243722;COCC(O)(C=O)C(C)F;VHZXAWDFTYEFIT-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243723;MM243723;COCC(F)(C=O)C(F)F;QQCNDWUBJWHCNS-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243724;MM243724;COCC(F)(C#N)C(F)F;NZZNPHOODHJIRH-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243725;MM243725;C=CC(C)(CCF)N(C)C;PXSWAERTPWYINH-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243726;MM243726;C=CC(C)(CC=O)C(C)C;HEDBYRJICARPAJ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243727;MM243727;C=CC(C)(CC=O)C(C)O;BWDJEFVXCSPWGL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243728;MM243728;C=CCC(C)(C=O)C(C)O;PJANRMCYXXBBGN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243729;MM243729;C=CC(C)(CC=O)C(C)F;UYUYWDFKNVVWSE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243730;MM243730;C=CCC(C)(C=O)C(C)F;BWXXSVLCOCRILA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243731;MM243731;CC(F)C(C)(C=O)CC=O;UYFCLRGMSUKSJQ-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243732;MM243732;C=CC(O)(CC=O)C(C)C;NXRLZVKLCXAQOI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243733;MM243733;C=CCC(O)(C=O)C(C)C;XFRPYFSCGRBERP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243734;MM243734;CC(O)C(O)(C#N)CC=O;GRVBKBXTGPSTPP-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243735;MM243735;C=CC(O)(CC=O)C(C)F;ZCQVKRFSJZLYCI-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243736;MM243736;C=CCC(O)(C=O)C(C)F;KZCICKSBVLJYKE-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243737;MM243737;CC(F)C(O)(C=O)CC=O;XGFYAOAQGKKSRE-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243738;MM243738;O=CCC(O)(C=O)C(F)F;CXORVKNCXDWVGX-UHFFFAOYSA-N;152.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243739;MM243739;C=CCC(F)(C=O)C(C)C;PPBBAXVGQSZHBC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243740;MM243740;C=CC(F)(CC=O)C(C)O;FJHWECDQDNKXFD-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243741;MM243741;N#CCC(F)(C=O)C(F)F;POYSZLOUASIKMD-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243742;MM243742;N#CCC(F)(C#N)C(F)F;ANAHBVQSEBRDBR-UHFFFAOYSA-N;148.09;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243743;MM243743;CC(C)C(C)(C=O)NC=O;PBFSZMZKRQANFP-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243744;MM243744;CC(O)C(C)(C=O)NC=O;WQENIZIHDWLBAS-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243745;MM243745;CC(O)C(C)(C#N)NC=O;MEPYMTGTWPXTFN-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243746;MM243746;CC(C=O)(NC=O)C(F)F;UYZORMSKVLOAJU-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243747;MM243747;CC(C#N)(NC=O)C(F)F;YNLPXAMIMUAMEJ-UHFFFAOYSA-N;148.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243748;MM243748;C=CC(C)(NN=C)C(C)C;AEUONEPPKATWNI-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243749;MM243749;CCCNN=C(C=O)NO;AWJHEADWAZRACY-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243750;MM243750;C=COC(C)(C#N)C(C)O;GDTTUPFOBGFYCM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243751;MM243751;CC(F)C(C)(C=O)OC=O;GKMMNYFRIYXRAM-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243752;MM243752;C=COC(C)(C#N)C(F)F;NPCPIFJCSDIRLK-UHFFFAOYSA-N;147.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243753;MM243753;CN=CNN=C(C=O)NO;CTQIJVLRHVEKPJ-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243754;MM243754;C=NOC(C)(C#N)C(F)F;GYVIVFGTGYYDCD-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243755;MM243755;C=CC(C)(CC=O)N(C)C;DXYAVYAMJWLASU-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243756;MM243756;C#CCC(C)(C=O)C(C)F;DJEQLPJRERMPGV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243757;MM243757;C#CCC(N)(C=C)C(C)N;QMGFOAIPGMFKMX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243758;MM243758;C#CCC(O)(C=C)C(C)O;GBFROBMVEAFHOU-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243759;MM243759;C#CCC(O)(C=O)C(C)F;YWMLGUVUSYOITA-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243760;MM243760;C#CCC(O)(C#N)C(F)F;PUGOSVFXXGYKOT-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243761;MM243761;C#CCC(F)(C=O)C(C)O;SPWYJYUUKBFBNP-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243762;MM243762;C#CCC(F)(C#N)C(C)O;CFTCZZIPIQWHGM-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243763;MM243763;C#CC(C)(CCF)C(C)C;QQXPKHDSWWOUBC-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243764;MM243764;C#CC(C)(CCF)C(C)N;LMJYSUORKVAAQY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243765;MM243765;C#CC(C)(CCF)C(C)F;HJHDLXHDMIOBOU-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243766;MM243766;C#CC(N)(CCN)C(C)C;RAVHERLHBYEGCA-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243767;MM243767;C#CC(N)(CCF)C(C)C;BWNURJZATMTJMP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243768;MM243768;C#CC(O)(CCO)C(C)C;QLYQNXAMADSTDL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243769;MM243769;C#CC(O)(CCC)C(C)N;KCVSIVSNMRJWLB-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243770;MM243770;C#CC(O)(CCC)C(C)O;DZKOERXSGWHFMP-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243771;MM243771;C#CC(F)(CCO)C(C)C;RDTVNLSERRANFT-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243772;MM243772;C#CC(F)(CCF)C(C)C;XNZCQGHVELBXPB-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243773;MM243773;C#CC(C)(CNC)C(C)C;NBOZSIAWCGUVGS-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243774;MM243774;C#CC(C)(CNC)C(C)F;FDVAUEBRDSOELD-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243775;MM243775;C#CC(C)(CNC)C(F)F;BTUNUYLUHHGVFB-UHFFFAOYSA-N;147.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243776;MM243776;C#CC(O)(CNC)C(C)O;FTONUMQCNPVGIN-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243777;MM243777;C#CC(N)(COC)C(C)N;AYTRCNMUJLIQSB-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243778;MM243778;C#CC(O)(COC)C(C)O;VGONXHKTZWSIFO-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243779;MM243779;C#CC(O)(COC)C(C)F;RQEVGBJCUJLWTH-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243780;MM243780;C#CC(F)(COC)C(F)F;KBTIYPDLMWXPTB-UHFFFAOYSA-N;152.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243781;MM243781;C#CC(C)(OCC)C(C)N;JHSAJIQZFGYMGB-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243782;MM243782;C#CC(C)(OCC)C(C)O;XIQJEQYHYRVBBQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243783;MM243783;C#CC(C)(CC=O)C(C)F;JQJZGZOAABJKKM-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243784;MM243784;C#CC(N)(CC=C)C(C)C;VRUTZYSNPMFSLC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243785;MM243785;C#CC(N)(CC=C)C(C)O;XFVWAUSVEFMZID-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243786;MM243786;C#CC(F)(CC#N)C(F)F;XHFAFZUSLNLIKO-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243787;MM243787;C#CC(C)(OC=C)C(C)N;HVEPZAWDOOYPBQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243788;MM243788;C#CC(C)(OC=C)C(C)O;YDCDNUVGKBHOSP-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243789;MM243789;C#CC(C)(OC=O)C(C)F;VHVYNGGNSGIDJI-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243790;MM243790;C=C(C)C(C)(CN)CCO;YQMFYDOPUDEYSJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243791;MM243791;C=C(C)C(C)(CN)CCF;ZPIPRKPVWANMJX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243792;MM243792;C=C(C)C(C)(CO)CCN;BWEIVMKAHTURBG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243793;MM243793;C=C(C)C(C)(CF)CCO;WSHYUTWCODUIEZ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243794;MM243794;C=C(C)C(C)(CF)CCF;QAJVJAQSPPWFEP-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243795;MM243795;CC(CN)(CCF)C(=N)N;BFFHQONZIIUHBH-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243796;MM243796;CCCC(C)(CF)C(=N)N;FOTBVPSVZMJSFA-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243797;MM243797;CC(CF)(CCN)C(=N)N;AYPLKSWMAKINAU-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243798;MM243798;CC(CF)(CCO)C(=N)N;CNMXFELCTKWAHL-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243799;MM243799;CCC(C)(CCN)C(N)=O;PFOHBCPDQGPGQE-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243800;MM243800;CCC(C)(CCO)C(N)=O;QCWQEXPDTLIGGW-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243801;MM243801;CON=CN=C(CF)NO;GIIKWOAYTRPUBQ-UHFFFAOYSA-N;149.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243802;MM243802;O=C(C=CF)C(CF)=NO;YXCPEXLBFYOCHI-UHFFFAOYSA-N;149.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243803;MM243803;CCCC(C)(CF)C(=O)O;QFWQFGWVOCGVNJ-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243804;MM243804;C=C(F)C(C)(CC)CCN;OYHQFRZTLWHCPW-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243805;MM243805;C=C(F)C(C)(CN)CCC;JKPDYFQJMZACMH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243806;MM243806;C=C(F)C(C)(CN)CCO;SDYURLFOTHEKCH-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243807;MM243807;C=C(F)C(C)(CN)CCF;PRLMQXWPSYQBKR-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243808;MM243808;C=C(F)C(C)(CO)CCF;VHXJARMOWHKGFN-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243809;MM243809;C=C(F)C(C)(CF)CCN;NXIQHLHIMNHEEC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243810;MM243810;C=C(C)C(N)(CC)CCO;FVIULZRZMXABLN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243811;MM243811;C=C(C)C(N)(CC)CCF;GNEYPMMDLKCLHC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243812;MM243812;C=C(C)C(N)(CF)CCC;PRMARGDZMWOPBX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243813;MM243813;C=C(C)C(N)(CF)CCO;MUUFFUWEBGJFFV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243814;MM243814;NCCC(N)(CO)C(N)=O;ZPLSXNDHYKYTLU-UHFFFAOYSA-N;147.18;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243815;MM243815;C=C(F)C(N)(CC)CCF;VKSNTHSHXDJJIU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243816;MM243816;C=C(F)C(N)(CN)CCF;NLLGPNBFXUUJIA-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243817;MM243817;C=C(C)C(O)(CC)CCN;RVDMCGBHBZHCIE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243818;MM243818;C=C(C)C(O)(CC)CCF;LIBYZPXUCMSGRY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243819;MM243819;C=C(C)C(O)(CO)CCN;PKRGCROYDKRJNU-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243820;MM243820;C=C(C)C(O)(CO)CCO;ZCRRMWJZGSYWOT-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243821;MM243821;C=C(C)C(O)(CF)CCC;ZLPNETQFUHBDPP-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243822;MM243822;C=C(C)C(O)(CF)CCF;FYUSBKIVZWWFES-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243823;MM243823;CCCC(O)(CC)C(C)=O;AUDNFHXZPGAVRI-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243824;MM243824;N=C(N)C(O)(CO)CCO;DUUYTQSWMWVZBJ-UHFFFAOYSA-N;148.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243825;MM243825;NCCC(O)(CO)C(N)=O;WNHBLKBNNCYWLC-UHFFFAOYSA-N;148.16;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243826;MM243826;NC(=O)C(O)(CO)CCO;WUORUZJVUTZOKX-UHFFFAOYSA-N;149.15;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243827;MM243827;CC(=CCC(=O)O)CO;BFKJMJXLCZZBNC-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243828;MM243828;C=C(CO)CC=CC(=O)O;ZNFMSDSNWJJWDK-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243829;MM243829;C=C(F)C(O)(CF)CCO;OOAHADFGHLZHSW-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243830;MM243830;C=C(C)C(F)(CN)CCN;OVWHESBRGXOVLS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243831;MM243831;C=C(C)C(F)(CN)CCO;AHONZQUGYSPCKS-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243832;MM243832;C=C(C)C(F)(CF)CCC;HIULSXNJFKUCBW-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243833;MM243833;C=C(C)C(F)(CF)CCN;JUNZFVBYCXLRKE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243834;MM243834;CCCC(F)(CC)C(C)=O;UOSZYUUCIOHPPX-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243835;MM243835;CCC(F)(CCF)C(C)=O;LTCWFNNZCYEBDD-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243836;MM243836;CCCC(F)(CF)C(C)=O;FUCXXJYCSYXOFN-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243837;MM243837;CC(=O)C(F)(CF)CCF;ODBGTYNHLHTEQQ-UHFFFAOYSA-N;154.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243838;MM243838;N=C(N)C(F)(CO)CCN;ILQIARNXASZHMU-UHFFFAOYSA-N;149.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243839;MM243839;CCC(F)(CCF)C(N)=O;PVLPEINCAMFDKG-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243840;MM243840;NCCC(F)(CO)C(N)=O;ZCUYMBQKTURVSV-UHFFFAOYSA-N;150.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243841;MM243841;NC(=O)C(F)(CO)CCO;JKBQGWQMVSLVKR-UHFFFAOYSA-N;151.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243842;MM243842;CCCC(F)(CC)C(=O)O;POJADJYGMYEGNK-UHFFFAOYSA-N;148.18;1.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243843;MM243843;CCCC(F)(CF)C(=O)O;YMUYTDPFUKWSES-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243844;MM243844;C=C(F)C(F)(CC)CCN;RRZLSMLRXGUCRR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243845;MM243845;C=C(F)C(F)(CN)CCC;DZEZLHQJXQKHQP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243846;MM243846;C=C(F)C(F)(CN)CCF;FTDKJHQTJZGUTI-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243847;MM243847;C=C(F)C(F)(CO)CCN;YLMHJJMZKONAIG-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243848;MM243848;C=C(F)C(F)(CF)CCN;CHSOEEUMNOAKHI-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243849;MM243849;C=C(C)C(C)(CC)CNC;BREOCAFLUAJXAP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243850;MM243850;C=C(C)C(C)(CF)CNC;SOPOANFGRUFIBE-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243851;MM243851;CCC(C)(CNC)C(C)=O;NFHAGWIOHIOVLP-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243852;MM243852;CNCC(C)(CF)C(=N)N;ZOKDUXWBTDVTPV-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243853;MM243853;C=C(F)C(C)(CF)CNC;JCUBJSZLTVKMBL-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243854;MM243854;CNCC(N)(CN)C(=N)N;HKTYLGFDDOCNGZ-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243855;MM243855;CNCC(N)(CO)C(=N)N;KJXMNXYRFXEAMY-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243856;MM243856;CNCC(N)(CO)C(N)=O;YNDNHMGPQVHAHI-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243857;MM243857;C=C(C)C(O)(CC)CNC;ZPOLGZNOBKTTNY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243858;MM243858;CNCC(O)(CO)C(=N)N;NWDBCKWUNNTTOS-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243859;MM243859;CNCC(O)(CO)C(N)=O;JCPSAWXYJFLLKM-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243860;MM243860;C=C(F)C(O)(CF)CNC;WIAWPODRDZXPHD-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243861;MM243861;C=C(C)C(F)(CC)CNC;MNNAHWUMPQYYGM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243862;MM243862;C=C(C)C(F)(CN)CNC;XXVDZJITDNHKAD-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243863;MM243863;C=C(C)C(F)(CF)CNC;RUIDCOLILKNZQX-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243864;MM243864;C=C(F)C(F)(CC)CNC;YWVHJCXAAHSZBP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243865;MM243865;C=C(C)C(N)(CC)COC;BZSHWDFLMQNSFT-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243866;MM243866;C=C(C)C(N)(CN)COC;OXLANGBTAKEQBW-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243867;MM243867;CCC(N)(COC)C(=N)N;QXUOCQPVPNTVDA-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243868;MM243868;COCC(N)(CO)C(=N)N;IUGATIOVUFAYPZ-UHFFFAOYSA-N;147.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243869;MM243869;COCC(O)(CO)C(=N)N;FNPBIVZKHQDASO-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243870;MM243870;COCC(O)(CO)C(N)=O;LFLDTKKDQYQAAE-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243871;MM243871;On1nncc1F;MLEHXCFLBACXBE-UHFFFAOYSA-N;103.06;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243872;MM243872;CCC(F)(COC)C(C)=O;XMYMOKTUENHXIT-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243873;MM243873;O=CCOCC(CF)=NO;QTDAFBDBSVYMHH-UHFFFAOYSA-N;149.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243874;MM243874;C=C(F)C(F)(CO)COC;RKOGWPMBAFCMOY-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243875;MM243875;C=C(C)C(C)(CCC)NC;YCYXJMWZSMCDRB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243876;MM243876;C=C(C)C(C)(CCF)NC;WFSHDZCOGREZRS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243877;MM243877;CCCC(C)(NC)C(C)=O;ROUGVNLYDIVBOL-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243878;MM243878;CCCC(C)(NC)C(=N)N;IHFZCJPPVOKLKG-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243879;MM243879;CCCC(C)(NC)C(N)=O;CWMAZCROEQJKRS-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243880;MM243880;CNCC(C)(NC)C(C)=O;UDHFHHJKEPVEMF-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243881;MM243881;COC(C)(CCO)C(=N)N;FIEJICGACUDFDG-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243882;MM243882;COC(C)(CCF)C(=N)N;YYQWLJNZLUHDRB-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243883;MM243883;COC(C)(CCO)C(N)=O;AIMFZAVXWLAOKS-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243884;MM243884;CNCC(C)(OC)C(N)=O;MFZMPLYAHSDOGZ-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243885;MM243885;C=C(C)C(C)(CN)NCC;RKTWMBGIATVJLO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243886;MM243886;CCNC(C)(CO)C(=N)N;HMWYUHLTYRMSBN-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243887;MM243887;C=C(F)C(C)(CN)NCC;RUVUNCDYWUOXEO-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243888;MM243888;CCOC(C)(CF)C(C)=O;SNDCSRZNNDRMSS-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243889;MM243889;CCOC(C)(CO)C(=N)N;BKNVZAIDXIXYQO-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243890;MM243890;C=C(C)C(C)(CC)CC=O;YBJVIXDKSAXQCO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243891;MM243891;C=C(C)C(C)(CC)CC#N;QVTXAUMTCPUOTF-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243892;MM243892;C=CCC(C)(CN)C(=C)C;BHYUNYUXZCBPMN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243893;MM243893;CCC(=NN=CCO)NC;BFOYEPMOCHGZMW-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243894;MM243894;C=C(C)C(C)(CF)CC=O;ZRDDTVQOQKPZDK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243895;MM243895;C=CCC(C)(CC)C(C)=O;CBRJOFXKFQGGES-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243896;MM243896;CCC(C)(CC=O)C(C)=O;SZMGOWXNCYKQSZ-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243897;MM243897;C=CCC(C)(CF)C(C)=O;RYWKHLNGIYPIGK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243898;MM243898;CC(=O)C(C)(CF)CC=O;NNUVTNQDIYXDHY-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243899;MM243899;CC(=O)C(C)(CF)CC#N;VGZKPGMYBLFTDU-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243900;MM243900;C=CCC(C)(CC)C(=N)N;YHUPMKSWJLTKRS-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243901;MM243901;CCC(C)(CC=O)C(=N)N;SBXYFRACDVQYQW-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243902;MM243902;C=CCC(C)(CN)C(=N)N;DUOSXMDGCKWEHV-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243903;MM243903;CC(CO)(CC#N)C(=N)N;GYHQEUNIRFWEDZ-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243904;MM243904;CC(CO)(CC#N)C(N)=O;YJMRPMSPDAAIHH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243905;MM243905;C#CC(O)(C=NO)C(N)=O;RZVBIMBAIAGWDV-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243906;MM243906;C=CCC(C)(CF)C(=O)O;CSHQSNUPLDUFJG-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243907;MM243907;CC(CF)(CC#N)C(=O)O;HYDIKXCQCVIJSP-UHFFFAOYSA-N;145.13;0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243908;MM243908;C=C(F)C(C)(CC)CC=O;JODGCBLBGPGHAJ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243909;MM243909;C=CCC(C)(CN)C(=C)F;NYHKIRCFDFXMHZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243910;MM243910;C=CCC(N)(CC)C(=C)C;OKWONKXTPAIREW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243911;MM243911;C=CCC(N)(CO)C(=C)C;QJPKVSVAUGMRDV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243912;MM243912;C=CCC(O)(CF)C(=C)C;LSOMKTZSUYQCSI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243913;MM243913;C=CCC(O)(CC)C(C)=O;VGAHGIYKCUMMBO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243914;MM243914;CC(=O)C(O)(CO)CC#N;UBZBVUOSTUDXSP-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243915;MM243915;CCC(O)(CC#N)C(=N)N;DDUSYBZPZQBJLH-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243916;MM243916;N#CCC(O)(CO)C(=N)N;BSJAYMHWWKWSHI-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243917;MM243917;N#CCC(O)(CF)C(=N)N;APBDZFIQPPNOLV-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243918;MM243918;N#CCC(O)(CO)C(N)=O;JSHMASHBTSRRMC-UHFFFAOYSA-N;144.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243919;MM243919;N#CCC(O)(CF)C(N)=O;PCHDNYYTMJLSSJ-UHFFFAOYSA-N;146.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243920;MM243920;N=c1nc(O)n(O)o1;WRLUOKIZMCGFCE-UHFFFAOYSA-N;117.06;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243921;MM243921;C=C(F)C(O)(CO)CC=O;ICQLCDKYXMDPJZ-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243922;MM243922;C=C(F)C(O)(CO)CC#N;ATLGBNGLTMYFTB-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243923;MM243923;C=C(C)C(F)(CC)CC=O;SLYQUWNGHGCVOM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243924;MM243924;C=CCC(F)(CN)C(=C)C;RIUMOLNOECBJGZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243925;MM243925;CCC(F)(CC=O)C(C)=O;YWQWFYMMCOSNDF-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243926;MM243926;N#CCC(F)(CF)C(N)=O;ONYMBINEDGCJFN-UHFFFAOYSA-N;148.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243927;MM243927;C=CCC(F)(CC)C(=O)O;WDAKOGCASVZKKO-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243928;MM243928;C=C(F)C(F)(CO)CC#N;OQERCJNLIQRHEZ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243929;MM243929;C=CCC(C)(NC)C(=C)C;GWNIECCHEHXPEZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243930;MM243930;C=C(C)C(C)(CC=O)NC;HEERGGRESKWGIP-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243931;MM243931;C=CCC(C)(NC)C(C)=O;WSLBZYDVYADOKI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243932;MM243932;CC#CC1CC(NO)=NO1;YORSQNUMNOOEMY-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243933;MM243933;CNC(C)(CC#N)C(=N)N;VTQIDMYQLBFUSW-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243934;MM243934;C=CCC(C)(NC)C(N)=O;UBBGMSORBCXFDX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243935;MM243935;C=CCC(C)(OC)C(N)=O;PYIPPGUPUUXEQI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243936;MM243936;C=C(C)C(C)(CN)NC=N;FNKBKMJZVHKWQI-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243937;MM243937;C=C(C)C(C)(CO)NC=N;VVLICNVZDQNXOP-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243938;MM243938;CC(CO)(NC=O)C(=N)N;CYIJUCCTYFHNFZ-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243939;MM243939;C=C(F)C(C)(CN)NC=N;QAKRNJBSGWMJQT-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243940;MM243940;C=C(F)C(C)(CO)NC=N;YVMAODQTADJAPO-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243941;MM243941;C=NNC(C)(CC)C(=C)C;QIHOYMJMOHUHGU-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243942;MM243942;C=NNC(C)(CC)C(=N)N;ODWAHYAOGSKKRO-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243943;MM243943;C=NNC(C)(CC)C(=C)F;VXMRWCGWCDFLJU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243944;MM243944;C=NNC(C)(CN)C(=C)F;IKPLPLABFNGSGV-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243945;MM243945;C=C(C)C(C)(CN)OC=O;IIMPVYDGWJBLMH-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243946;MM243946;C=COC(C)(CO)C(=N)N;DPJOOFYBELQIMJ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243947;MM243947;O=CC(=NO)C(O)C=NO;HRIMYNFWBYZMKD-UHFFFAOYSA-N;146.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243948;MM243948;Nn1c(F)c(O)c(F)c1F;XNFAXZVWYOGYQW-UHFFFAOYSA-N;152.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243949;MM243949;C=C(F)C(C)(CN)OC=O;ZIALCMCRARVZID-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243950;MM243950;C=NOC(C)(CN)C(=C)C;JYKZCFIVQUFJIG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243951;MM243951;COC(C)(OC=O)C(=N)N;NVFVDRCKQHRULQ-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243952;MM243952;NN=c1[nH]nco1;OIDXSQCPDWZXAU-UHFFFAOYSA-N;100.08;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243953;MM243953;C#CCC(C)(CC)C(=C)C;RBCQZOOIVSHZMD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243954;MM243954;C#CCC(C)(CN)C(=C)C;OQBGUMYLMDZXNG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243955;MM243955;C#CCC(C)(CF)C(=C)C;IPJQAYAJYXZGGU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243956;MM243956;C#CCC(C)(CO)C(C)=O;YJWRAMJALNYOSC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243957;MM243957;C#CCC(C)(CF)C(=N)N;NFFQRACYLYLLCQ-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243958;MM243958;C#CCC(C)(CC)C(=O)O;REJVLYYYQJLXOB-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243959;MM243959;C#CCC(C)(CN)C(=C)F;MILNRPNYDYBDMY-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243960;MM243960;C#CCC(N)(CC)C(=C)C;VEZIDCOBKUFKJE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243961;MM243961;C#CCC(N)(CN)C(=C)C;YSYAUWSRCTVKJR-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243962;MM243962;C#CCC(N)(CO)C(=C)C;FMXFZIBNFUWJMY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243963;MM243963;C#CCC(N)(CF)C(=C)C;IIHSIVKJSITPQQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243964;MM243964;C#CCC(O)(CF)C(=C)C;UGTJPCVPPUUHJF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243965;MM243965;C#CCC(O)(CC)C(C)=O;GDDPDVOHKADTKC-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243966;MM243966;C#CCC(O)(CO)C(C)=O;LWPYOKLADYBHDS-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243967;MM243967;C#CCC(O)(CO)C(=N)N;NITVRHBOYDPGMV-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243968;MM243968;C#CCC(F)(CN)C(=C)C;VEUFBEWXDBSLKG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243969;MM243969;C#CCC(F)(CC)C(N)=O;WMSFMWLJVQGEMW-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243970;MM243970;C#CCC(F)(CO)C(N)=O;ZTYYJLUSWRVNKB-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243971;MM243971;C#CCC(F)(CC)C(=O)O;BAEOHNFWCGZRNN-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243972;MM243972;C#CCC(C)(NC)C(=C)C;CVWSDLDRBIMGFT-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243973;MM243973;C#CCC(C)(OC)C(=C)C;BRJVCNOUAJWLRP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243974;MM243974;C=CC(C)(CCC)C(=C)C;FQCPFFODLZOFIF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243975;MM243975;C=C(C)C(C)(C=O)CCO;NUMPBSMHGYHBBW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243976;MM243976;C=C(C)C(C)(C=O)CCF;IZPUXTSKYLZYEX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243977;MM243977;C=CC(C)(CCC)C(C)=O;OJWHHZPLGDKUSM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243978;MM243978;C=CC(C)(CCO)C(C)=O;AZHRTGLPORHCLI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243979;MM243979;C=CC(C)(CCF)C(C)=O;SUHOAUJSGDKXPZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243980;MM243980;C=CC(C)(CCC)C(=N)N;WZPJDVRSULCHSH-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243981;MM243981;C=CC(C)(CCN)C(=N)N;DRTDOIUABDMZAI-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243982;MM243982;C=CC(C)(CCO)C(=N)N;XANUFYKBIHQQPJ-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243983;MM243983;CC(C#N)(CCO)C(=N)N;HJNLQNDIWCXXKU-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243984;MM243984;CCC1ON=C(NO)C1C;JHJHJZMJJZZYGK-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243985;MM243985;CCCC(C)(C=O)C(N)=O;WGFRRCXBRCHLKG-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243986;MM243986;CC(C=O)(CCF)C(N)=O;GZLVUHVUDMDNER-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243987;MM243987;C=CC(C)(CCF)C(=O)O;PKPPSLXAVSRNCG-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243988;MM243988;C=CC(C)(CCN)C(=C)F;HIIICBHBMOXUCP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243989;MM243989;C=CC(C)(CCO)C(=C)F;BHCKKPVRXAJVQF-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243990;MM243990;C=CC(C)(CCF)C(=C)F;MSUQNJJXJGHWCN-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243991;MM243991;C=C(F)C(C)(C=O)CCC;AVFRTFMKQBUWDT-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243992;MM243992;C=C(F)C(C)(C=O)CCO;ZSZPXKWBLWBTOC-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243993;MM243993;C=C(F)C(C)(C=O)CCF;CKGNEGDWNIDSGR-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243994;MM243994;C=CC(N)(CCC)C(=C)C;OURAOKKQBDMFKI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_N0";;;;;;;2.87;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243995;MM243995;C=CC(N)(CCN)C(=C)C;QIZWAZYIAFKVCH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243996;MM243996;C=CC(N)(CCO)C(=C)C;QITQVCOPZSLQHZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243997;MM243997;C=CC(N)(CCF)C(=C)C;CKQFMQMQEFMKBW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243998;MM243998;CC(=O)C(O)(C#N)CCO;QPNUCGZKPRAKQU-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM243999;MM243999;CC(=O)C(O)(C#N)CCF;BLCWEARLPHCVLU-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244000;MM244000;CCCC(O)(C=O)C(=N)N;WPBPMVWZNVQPJT-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244001;MM244001;N#CC(O)(CCO)C(=N)N;SYQTXEPMCKEPTQ-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244002;MM244002;N#CC(O)(CCF)C(=N)N;GVZKIJJVQSODHJ-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244003;MM244003;C=CC(O)(CCC)C(N)=O;HZRVBJHZELZJMI-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244004;MM244004;CCCC(O)(C#N)C(N)=O;PCZGJUMGFLIOQY-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244005;MM244005;N#CC(O)(CCO)C(N)=O;ADRWVBCZGVFAFZ-UHFFFAOYSA-N;144.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244006;MM244006;C=CC(O)(CCN)C(=C)F;JAIGETZOUGPKRC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244007;MM244007;C=C(C)C(F)(C=O)CCC;RKOWRMHYIASMTD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244008;MM244008;CCCC(F)(C=O)C(C)=O;NJXUKYKFKVXHBL-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244009;MM244009;CC(=O)C(F)(C#N)CCF;ONRFHAMQJAMGID-UHFFFAOYSA-N;147.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244010;MM244010;N#CC(F)(CCO)C(N)=O;SRLRZZOVQJJMQJ-UHFFFAOYSA-N;146.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244011;MM244011;C=CC(C)(CNC)C(=C)C;ZTFWTOJASUJPFV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244012;MM244012;C=C(C)C(C)(C=O)CNC;NMXICRUSCCQCAY-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244013;MM244013;CNCC(C)(C=O)C(C)=O;SVMPKVRYELOUIX-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244014;MM244014;CNCC(C)(C#N)C(=N)N;IMNJYJZUPXPAEB-UHFFFAOYSA-N;140.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244015;MM244015;C=CC(C)(CNC)C(=C)F;GNHIRWZWRYOMAR-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244016;MM244016;C=C(F)C(C)(C=O)CNC;GXNZRTFNRRPMFP-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244017;MM244017;C=CC(N)(CNC)C(=C)F;ZGBFUUNHJLMPAL-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244018;MM244018;C=CC(O)(CNC)C(=C)F;UUQYLPOYAFXYQL-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244019;MM244019;C=C1C(C#N)C=NN1C=N;HSVPFLSZOSAIPR-UHFFFAOYSA-N;134.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244020;MM244020;CNc1[nH]nc(CF)c1C;DNDPEHGJSCIHIL-UHFFFAOYSA-N;143.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244021;MM244021;C=CC(C)(COC)C(C)=O;LQHCKTIXEXZCEK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244022;MM244022;COCC(C)(C=O)C(C)=O;CYMHNZZVHRHDGB-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244023;MM244023;COCC(C)(C=O)C(=N)N;ITVAVEAVXSUNIC-UHFFFAOYSA-N;144.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244024;MM244024;COCC(C)(C=O)C(N)=O;SNEGQZDDKWBJFO-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244025;MM244025;C=C(C)C(O)(C=O)COC;LRQPYOZCHJRJQN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244026;MM244026;COCC(O)(C#N)C(C)=O;ISDABPVZTLGEFA-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244027;MM244027;COCC(O)(C=O)C(=N)N;PGTMFOGNIQGNLE-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244028;MM244028;COCC(O)(C=O)C(N)=O;RJQZKISYLJAYGE-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244029;MM244029;Nn1c(O)c(CF)oc1=O;BYRDGNWPCKQINQ-UHFFFAOYSA-N;148.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244030;MM244030;C=C(F)C(O)(C#N)COC;ULYNVIVSTHBFOZ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244031;MM244031;COCC(F)(C=O)C(N)=O;HGDCTAOSKFQQCW-UHFFFAOYSA-N;149.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244032;MM244032;C=CC(C)(NCC)C(=C)C;NTGDLHJVUATSLZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244033;MM244033;CCNC(C)(C#N)C(=N)N;MJRCXUNQWHQSKU-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244034;MM244034;C=CC(C)(CC=O)C(=C)C;WQOHFGBUFQGTRD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244035;MM244035;C=CC(C)(CC#N)C(=C)C;BTOIEZXFCZIKSB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244036;MM244036;C=CCC(C)(C=O)C(=C)C;XEJWMNHACDLYOD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244037;MM244037;C=C(C)C(C)(C=O)CC=O;NKFAEEBRQXBVSL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244038;MM244038;C=C(C)C(C)(C=O)CC#N;WFRWSPSKEHMRRG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244039;MM244039;C=CCC(C)(C=C)C(C)=O;BSTMXJIJIWYSHM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244040;MM244040;C=CC(C)(CC#N)C(C)=O;BZEBHXDOSDOHJM-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244041;MM244041;CC(=O)C(C)(C=O)CC=O;CTABZFYCCYYCPU-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244042;MM244042;C=CCC(C)(C=C)C(=N)N;MLOXXCRTPIVWKQ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244043;MM244043;C=CC(C)(CC=O)C(=N)N;SKXFTATVFKDGPA-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244044;MM244044;C=CCC(C)(C#N)C(=N)N;OVSQJPLMHOIQMN-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244045;MM244045;C#CC1NC1C(=NN)NO;OYBBTJNTKTVHOB-UHFFFAOYSA-N;140.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244046;MM244046;C=CC(C)(CC#N)C(N)=O;SMZOFFYWZBMGII-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244047;MM244047;NN=c1nc(O)cnn1O;WJBYKNSPLKPQQQ-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244048;MM244048;C=CC(C)(CC=O)C(=C)F;BWNNQFCFKZUUMN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244049;MM244049;C=CCC(C)(C=O)C(=C)F;DNEHUKFECYMVGR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244050;MM244050;C=C(F)C(C)(C=O)CC=O;FEJYVENZSUEAQA-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244051;MM244051;C=CCC(N)(C=C)C(=C)C;GOMAQUPJPUBTTD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244052;MM244052;C=CCC(O)(C=O)C(=C)C;GDCPYHRDHLBRRS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244053;MM244053;CC(=O)C(O)(C#N)CC#N;HBJDTJWGRRUMSP-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244054;MM244054;C=CC(O)(CC#N)C(=N)N;MDSBXORNRIKFFD-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244055;MM244055;N#CCC(O)(C=O)C(=N)N;IGJFMDASQLIUJP-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244056;MM244056;N#CC(O)(CC=O)C(=N)N;JSENLGZTUGBUPF-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244057;MM244057;C=CC(O)(CC#N)C(N)=O;QHIRQGUDWHKQJL-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244058;MM244058;NC(=O)C(O)(C=O)CC=O;LQHVYWSUUCDBGA-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244059;MM244059;N#CC(O)(CC=O)C(N)=O;ZERIDGWUSVXSKM-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244060;MM244060;C=C(F)C(O)(C=O)CC=O;QFLDVSFGTVEPSB-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244061;MM244061;C=C(F)C(O)(C=O)CC#N;WLWHPDVDKJZUHY-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244062;MM244062;C=C(F)C(O)(C#N)CC=O;SSQYZSGHHWRVOC-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244063;MM244063;C=C(F)C(O)(C#N)CC#N;CWDVNMBKXGCXEV-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244064;MM244064;C=CCC(F)(C=O)C(=C)C;OERAEBPSFCKOFR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244065;MM244065;C=CC(F)(CC=O)C(C)=O;RGAWVCSQMTUQIA-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244066;MM244066;C=CCC(F)(C=O)C(C)=O;KVOSFWGTBOAECO-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244067;MM244067;CNC(=O)C1CN1CC#N;CWAGYIITZGTGGD-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244068;MM244068;C=CC(F)(CC#N)C(N)=O;PVFAMWHBHXNNED-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244069;MM244069;N#CC(F)(CC=O)C(N)=O;AFWFKJOVEPRCIK-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244070;MM244070;C=CC(C)(NC=N)C(=C)C;XACLLKYQCGNUJA-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244071;MM244071;C=C(C)C(C)(C=O)NC=O;DCNYNKDHTPJIME-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244072;MM244072;CC(=O)C(C)(C=O)NC=O;USFBYKPVBKYPNM-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244073;MM244073;CC(C=O)(NC=O)C(N)=O;WCIJEKQWFCGSRQ-UHFFFAOYSA-N;144.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244074;MM244074;CC(C#N)(NC=O)C(N)=O;HMTARIFDAOOOAN-UHFFFAOYSA-N;141.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244075;MM244075;C=Nn1cc(O)nn1;VLVMOPXZJSVSAR-UHFFFAOYSA-N;112.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244076;MM244076;C=C(F)C(C)(C#N)NC=O;ISGMJQZLWYXAHE-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244077;MM244077;C=CC(C)(NN=C)C(=C)C;YXOQBCLXOHXSOY-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244078;MM244078;C=NNC(C)(C=O)C(=N)N;HJYGKGKYEHUPDT-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244079;MM244079;O=CONC=NN=CCO;WVLXCRWSWVBCQV-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244080;MM244080;C=C(C)C(C)(C=O)OC=O;AAXXOTHSIJDFFA-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244081;MM244081;C=COC(C)(C#N)C(=N)N;URDXZLJGQWGSDV-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244082;MM244082;C=COC(C)(C#N)C(N)=O;ZHOHYZOYTHEMML-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244083;MM244083;CC(C=O)(OC=O)C(N)=O;HZDWNMVGFTYITF-UHFFFAOYSA-N;145.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244084;MM244084;C=NOC(C)(C=O)C(=C)C;FYCHBMAKJCRTLZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244085;MM244085;CC(=NN=CCO)N1CC1;ZRWCFUCCKPFJJJ-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244086;MM244086;NN=C1CCC(NO)=NO1;CHKGCHCAGAZYFN-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244087;MM244087;C#CCC(C)(C=O)C(=C)C;VRSALOAMUPSPPH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244088;MM244088;C#CCC(C)(C=C)C(C)=O;SRPXBXVNZIVWLV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244089;MM244089;C#CCC(C)(C=O)C(C)=O;LFLYBONLOKZDPO-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244090;MM244090;C#CCC(C)(C=C)C(=N)N;HOGIGKFTZGBTNM-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244091;MM244091;C#CCC(C)(C=C)C(=O)O;IJXWWVICVGMEGV-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244092;MM244092;C#CCC(O)(C=O)C(C)=O;AANQSRBGBRBRII-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244093;MM244093;C#CCC(O)(C#N)C(N)=O;WHMZJXBCBZELHZ-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244094;MM244094;C#CCC(F)(C#N)C(N)=O;HMPQGBYAPONELX-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244095;MM244095;C#CC(C)(CCF)C(=C)C;QUWCNGXAYQTVSI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244096;MM244096;C#CC(C)(CCF)C(C)=O;HJQXVTBPCFCLTA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244097;MM244097;C#CC(C)(CCC)C(=O)O;PQNZLYBVLRQUKL-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244098;MM244098;C#CC(N)(CCN)C(=N)N;OGAQYVPEWLBIMB-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244099;MM244099;C#CC(O)(CCN)C(N)=O;QEMVGERQDFEFPQ-UHFFFAOYSA-N;142.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244100;MM244100;C=NN(C=CC(=O)O)CC;AJASKHVCGXBPNB-UHFFFAOYSA-N;142.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244101;MM244101;C#CC(F)(CCN)C(N)=O;TVUXADLFUOYTSA-UHFFFAOYSA-N;144.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244102;MM244102;C#CC(F)(CCO)C(N)=O;VKSKWIAUHJSIRI-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244103;MM244103;C#CC(C)(CNC)C(=C)C;NEYVTJLNZBSBLD-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244104;MM244104;C#CC(O)(CNC)C(=N)N;FNLVVQKOPUGYMD-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244105;MM244105;C#CC(N)(COC)C(=N)N;XFGPFZLOONYSJT-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244106;MM244106;C#CC(O)(COC)C(C)=O;JLFCIHWEICABTB-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244107;MM244107;C#CC(O)(COC)C(N)=O;RPPKOJVALFSDJA-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244108;MM244108;CNN=CC=C(C)C(=O)O;JBDSKONGIHMJKA-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244109;MM244109;C#CC(O)(COC)C(=C)F;FPJBNYRZWGGLGD-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244110;MM244110;C#CC(C)(NCC)C(=C)C;VAPXZNBCCLGHTM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244111;MM244111;C#CC(C)(CC=O)C(=C)C;ORHQIMUXXIRHOC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244112;MM244112;C#CC(C)(CC=C)C(C)=O;YISFXTVJFNSGGS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244113;MM244113;C#CC(C)(CC=O)C(C)=O;PAZZAOPHHTZDJP-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244114;MM244114;C#CC(C)(CC=C)C(=N)N;BTZGZPQNNNMFSO-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244115;MM244115;C#CC(C)(CC=C)C(=O)O;ZFKSFBRNQRCGES-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244116;MM244116;C#CC(N)(CC=C)C(=C)C;MBFBEMFZQLZANB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244117;MM244117;C#CC(O)(CC=C)C(C)=O;DLVDVGBBPVQGBS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244118;MM244118;C#CC(O)(CC=O)C(C)=O;POMSFCOWAKIOMA-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244119;MM244119;Cc1nc(=O)nnc(=O)[nH]1;NTANPXWGJYZZJT-UHFFFAOYSA-N;140.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244120;MM244120;C#CC(O)(CC=O)C(=C)F;FARJQKSYQBUCJX-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244121;MM244121;C#CC(O)(CC#N)C(=C)F;MGVIXOBMZUIPDX-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244122;MM244122;C#CC(C)(NC=O)C(=C)C;AXQRMDQVWPBXPI-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244123;MM244123;C#CC(C)(NC=O)C(=N)N;IWEWLMCJKGVVJR-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244124;MM244124;CCC12CC1C(NO)=NO2;FXIYVXYWYPUCFZ-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244125;MM244125;CC(=O)CCC(C)C(=O)O;RJKCQJNOJDMYEM-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244126;MM244126;CC(C=O)CC(C)C(=O)O;IXXKMVONDVVNAT-UHFFFAOYSA-N;144.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244127;MM244127;C#CCC(O)(C#C)C(N)=O;DQVXERJVPIRRIC-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244128;MM244128;COC12CC1C(NO)=NO2;WKMNTZTWUZANSP-UHFFFAOYSA-N;144.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244129;MM244129;C#CCC(F)(C#C)C(N)=O;UYVXVVPMJYFIHC-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244130;MM244130;CC=CC(C)(CN)C(C)C;RFNMKSXMGQVACF-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244131;MM244131;CC(C)C(C)(C=CF)CN;QZYMKEMCQXVDLX-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244132;MM244132;CCC(C)(C=CF)C(C)N;ZPEVQLYRXWRHGG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244133;MM244133;CC=CC(C)(CN)C(C)N;CILPPCBIFQMWNU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244134;MM244134;CC(N)C(C)(C=CF)CF;ZTAXDOBHEAXIIV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244135;MM244135;CC=CC(C)(CN)C(C)F;YCUQAEWTKBTULL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244136;MM244136;CC(F)C(C)(C=CF)CN;ONCDRRXCZMOFDG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244137;MM244137;CC(F)C(C)(C=CF)CF;DHXPXSJJRDTFCK-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244138;MM244138;CCC(N)(C=CF)C(C)C;WCBJRQSRDSSDAQ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244139;MM244139;CC=CC(N)(CN)C(C)C;JHKDDVYQCZBIHB-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244140;MM244140;CC(C)C(N)(C=CF)CF;HPMCQQIJRDIUJM-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244141;MM244141;CC=CC(N)(CO)C(C)N;JPPJMXNCQLBZBX-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244142;MM244142;CC=CC(N)(CF)C(C)N;XOGVVWJBMSHEJQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244143;MM244143;CC=CC(N)(CN)C(C)F;USXLAOWBFWZEBE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244144;MM244144;CC(F)C(N)(C=CF)CN;PUMHGLURKYMLOU-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244145;MM244145;CC=CC(O)(CN)C(C)C;AHTTXNDKTHNIEZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244146;MM244146;CC(C)C(O)(C=CF)CO;WQZOSSQFPCVUOY-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244147;MM244147;CC(C)C(F)(C=CF)CN;VVMFONQORARUBS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244148;MM244148;CC(C)C(C)(C=NO)CN;NXVMFPXMMTZAFE-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244149;MM244149;CC(C)C(C)(C=NO)CF;YHPZQZZJKAHJEJ-UHFFFAOYSA-N;147.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244150;MM244150;CCC(C)(C=NO)C(C)N;ZZJGCSXVELRFBJ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244151;MM244151;CC(N)C(C)(C=NO)CF;ZFDSKURLZNZHBK-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244152;MM244152;CC(F)C(C)(C=NN)CF;GTRWVQVLYGEFOH-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244153;MM244153;NN=COC(N)=O;LXHIYAQGQSDRBE-UHFFFAOYSA-N;103.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244154;MM244154;N=C(NO)C(F)CF;LDPNEBOXOCSGME-UHFFFAOYSA-N;124.09;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244155;MM244155;NN=CC(O)(CO)C(F)F;CHVKDIDGGDOFNC-UHFFFAOYSA-N;154.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244156;MM244156;CC(CCCC=O)C(=O)O;HGNLNEAUXCJQSZ-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244157;MM244157;Cn1c(O)c(F)n(O)c1=O;ALEGDDOWFQLYOK-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244158;MM244158;CCC(F)(C=NN)C(C)C;PXLMLHPTMYUNNT-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244159;MM244159;O=c1cc(O)c(=O)n(O)o1;IVWINTMNGLMYFL-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244160;MM244160;CNC(C)(C=CF)C(C)C;CAXYGFYSMDTBBY-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244161;MM244161;CNC(C)(C=CF)C(C)O;CNOGCJXWFNADEM-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244162;MM244162;CNC(C)(C=CF)C(F)F;QYJMFVZCZYKGFV-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244163;MM244163;CNC(C)(C=NN)C(C)C;IICSDNBFOQNVDX-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244164;MM244164;C=CC(C)(C=CF)C(F)F;ZEOQYZZUDFQQKU-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244165;MM244165;CC=CC(O)(C=O)C(C)O;IGMHFDZQKYLWPW-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244166;MM244166;CC=CC(O)(C#N)C(C)O;YQSGSQWDPTZFML-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244167;MM244167;CC=CC(O)(C=O)C(F)F;ASYNXVPNOLRDCJ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244168;MM244168;N#CC(O)(C=CF)C(F)F;HCPJMXSAZRIEPH-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244169;MM244169;CC(C)C(C)(C=O)C=NO;DJLFXLCMPZFAEO-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244170;MM244170;C=CC(C)(C=NO)C(C)N;CQSXRDDSEOGAIG-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244171;MM244171;CCN(O)C=NC=N;UGWMWMBGFCCICN-UHFFFAOYSA-N;115.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244172;MM244172;C#Cc1c[nH]n(O)c1=O;CKGXKPKQBWTJBD-UHFFFAOYSA-N;124.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244173;MM244173;COC=C(C)CC(=O)O;QEBBBHXNYJHUDF-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244174;MM244174;CCC1(CCC(=O)O)CO1;LTXHXJVLZYKDIM-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244175;MM244175;COC1(CCC(=O)O)CC1;BABRQODZYMQPHF-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244176;MM244176;C#CC(N)(C=CF)C(C)C;SYPVUZHOQKDYIN-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244177;MM244177;C#CC(O)(C=CF)C(C)O;PAOCRPSQEZYTNX-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244178;MM244178;C#CC(C)(C=NO)C(C)C;CBQCHSXFBIBFQU-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244179;MM244179;C#CC(O)(C=NN)C(C)O;MBCKANASKDDAAN-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244180;MM244180;C=C(COC)CC(=O)O;BBSHLAQLSYEESS-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244181;MM244181;C=CC(C)(O)C=CC(=O)O;ZQCKORZVNXTIMV-UHFFFAOYSA-N;142.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244182;MM244182;C#CC(F)(C=NN)C(F)F;CGMGGLVARWGGLC-UHFFFAOYSA-N;150.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244183;MM244183;CC1C(O)C1(C)CC(=O)O;IGQBSCLJOIETSH-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244184;MM244184;C=C(C)C(C)(C=CF)CN;LIKARRYPCULICX-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244185;MM244185;C=C(C)C(C)(C=CF)CF;KNDZVEVMPRJBEI-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244186;MM244186;CC(C=CF)(CN)C(=N)N;YTXLHMNMIULGFQ-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244187;MM244187;CC=CC(C)(CO)C(=N)N;HOCOGHRNQVUYCY-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244188;MM244188;CC(C=CF)(CO)C(=N)N;XYXWAUHTPUPRSZ-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244189;MM244189;CC(C=CF)(CF)C(=N)N;YPMWVJZDLLZIGM-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244190;MM244190;CCC(C)(C=CF)C(N)=O;AWZXZXOGIZDNDJ-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244191;MM244191;CC(C=CF)(CN)C(N)=O;ULXCHVSTKFIGSV-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244192;MM244192;CC(C=CF)(CF)C(N)=O;KFNJVRDIUSUYKI-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244193;MM244193;CCC(C)(C=CF)C(=O)O;STJOTKGEWDWUNE-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244194;MM244194;C=C(F)C(C)(C=CF)CN;YFKOIZMREHINOL-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244195;MM244195;C=C(C)C(N)(C=CF)CO;CEZUVRKNIRFRQO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244196;MM244196;CC=CC(N)(CC)C(=N)N;XETZCTZAWUWPTI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244197;MM244197;C=C(F)C(N)(C=CC)CN;OLHJTRHLCZPHAD-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244198;MM244198;CC=CC(O)(CF)C(C)=O;YJMXEVUPOPZWJP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244199;MM244199;NC(=O)C(O)(C=CF)CF;YILYOVFRNXSASK-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244200;MM244200;C=C(F)C(O)(C=CF)CO;TZCJDRLWWSCIED-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244201;MM244201;C=C(C)C(F)(C=CC)CN;AFSOQCVMVUJTPG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244202;MM244202;C=C(C)C(F)(C=CF)CN;ZOFBJIMHVYOBKA-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244203;MM244203;CCC(F)(C=CF)C(C)=O;WWLKEFOJGWQNPF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244204;MM244204;NC(=O)C(F)(C=CF)CO;PEJYKADVOWLJSN-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244205;MM244205;C=C(F)C(F)(C=CC)CN;OUECOUPWUJSVFK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244206;MM244206;C=C(C)C(C)(C=NO)CN;MNSHOENEUBWIIR-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244207;MM244207;C=C(C)C(C)(C=NN)CF;PQAXOCOFNRUQGU-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244208;MM244208;N=C(N)C(O)(C=NN)CO;LQKMCHRUTYXDOP-UHFFFAOYSA-N;146.15;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244209;MM244209;NN=CC(O)(CO)C(N)=O;GPOXJXZVBUSZOS-UHFFFAOYSA-N;147.13;-2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244210;MM244210;CC1C(CC(=O)O)C1(C)O;KTQNWXPGMDINRE-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244211;MM244211;C=C(F)C(O)(C=NN)CF;UALHLDISNYIYOQ-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244212;MM244212;C=NNC(C=O)CO;LHQOERSNPDRUSR-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244213;MM244213;CC1CC1(O)CCC(=O)O;RGHDOTWOFOYVOI-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244214;MM244214;C=C(C)C(C)(C=CC)NC;DSYLAZGWTAJMPV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244215;MM244215;C=C(C)C(C)(C=CF)NC;QHSWIVXQBZAYSU-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244216;MM244216;CNC(C)(C=CF)C(=N)N;KMZFVNWXOUBNTF-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244217;MM244217;COC(C)(C=NN)C(=N)N;LATLRRRZUJAYDC-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244218;MM244218;C=CC(C)(C=CC)C(=C)C;QDRIOOCJMPMBBK-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244219;MM244219;C=CC(C)(C=CC)C(C)=O;UTKZWABUIPARDS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244220;MM244220;C=CC(C)(C=CF)C(C)=O;IHXWNYOYBWTILT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244221;MM244221;C=CC(C)(C=CF)C(N)=O;YDNCBNUHSFDMFD-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244222;MM244222;CC=CC(C)(C#N)C(N)=O;MNBCRNMCHJHFIT-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244223;MM244223;C=CC(C)(C=CF)C(=O)O;FOLVQLUYLOUCEZ-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244224;MM244224;C=CC(O)(C=CC)C(N)=O;JCYYHGLHKQAGCM-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244225;MM244225;C=CC(O)(C=CF)C(N)=O;OWSXKLILZWIKAI-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244226;MM244226;CC=CC(O)(C#N)C(N)=O;YOUSEGWYIDSXRF-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244227;MM244227;N#CC(O)(C=CF)C(N)=O;PVTWDFMSVVDEEG-UHFFFAOYSA-N;144.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244228;MM244228;CCc1cnc(N)o1;ABJMGNIYIIFOSZ-UHFFFAOYSA-N;112.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244229;MM244229;N#CC(F)(C=CF)C(N)=O;MIIZBTLKMHSPKL-UHFFFAOYSA-N;146.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244230;MM244230;CC(=CC(N)=O)C(C)O;FFFXPIQUMPIVKP-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244231;MM244231;C=C(CC(=O)O)C(C)O;JNBUQPUBIXUYEC-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244232;MM244232;CC(=CCO)CC(=O)O;YRMLLLFFNKBFDW-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244233;MM244233;Cn1nc(F)c(O)c1O;SMKPSTWUMHHDEU-UHFFFAOYSA-N;132.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244234;MM244234;CCc1onc(O)c1N;ADOFCFOZWBVWQC-UHFFFAOYSA-N;128.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244235;MM244235;C=C(C)CN(O)C=NN;CWWGSXCKPCUDJI-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244236;MM244236;C=Cn1cc(F)c(O)n1;WAGUOPJOKGTSDJ-UHFFFAOYSA-N;128.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244237;MM244237;C#CC(C)(C=CF)C(C)=O;RDZGDAWLZHEJTG-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244238;MM244238;C#CC(C)(C=CC)C(=O)O;OBOGSABRIXNPNL-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244239;MM244239;C#CC(O)(C=CC)C(C)=O;REXWMKMNUYOTMP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244240;MM244240;C#CC(O)(C=CF)C(=N)N;CUKJMLQZWNDDHR-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244241;MM244241;C#CC(F)(C=CF)C(=N)N;KUJMQRZVRBLCAF-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244242;MM244242;C#CC(F)(C=CF)C(N)=O;SJUJKWRNCDEGEJ-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244243;MM244243;C#CC(C)(C=NO)C(=C)C;NLBIPVJIVQKOOA-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244244;MM244244;C#CC(O)(C=NN)C(N)=O;DWHBHOZYKSEGSD-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244245;MM244245;C=Nn1oc(=NN)[nH]c1=O;QBGMKMSZWKCAAI-UHFFFAOYSA-N;143.11;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244246;MM244246;CC#CC(C)(CN)C(C)O;LIJCZMHPDYKPSD-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244247;MM244247;CC#CC(N)(CO)C(C)N;WRWLVALAQGDEQU-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244248;MM244248;CC#CC(O)(CN)C(C)C;DTBZEZLSQCLOHF-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244249;MM244249;CC#CC(O)(CO)C(C)N;MAMITJUPDBPBPM-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244250;MM244250;CC#CC(O)(CF)C(C)N;MKRLVKHAERALEP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244251;MM244251;CC#CC(F)(CO)C(F)F;MDPOQUYANKVLCM-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244252;MM244252;CC#CC(C)(C#N)C(C)C;SPJQHRJOIQCSQZ-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244253;MM244253;CC#CC(F)(C=O)C(C)O;WMECCIIRZVCRRK-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244254;MM244254;N#CC(N)=NCC(N)=O;QFXRAVNSLYUVNA-UHFFFAOYSA-N;126.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244255;MM244255;C#CC(C)(C#CC)C(C)F;BSGGAGUCRCXZNL-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244256;MM244256;C#CC(N)(C#CC)C(F)F;CFCVIRNPYAONLE-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244257;MM244257;C#CC(O)(C#CC)C(F)F;JBCSLFPGVOBBIQ-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244258;MM244258;C#CC(F)(C#CC)C(C)O;KYZVTZXCNQXZAQ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244259;MM244259;CC#CC(N)(CO)C(=N)N;VRXANCSDFPNKSG-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244260;MM244260;C=C(C)C(O)(C#CC)CO;LWLJOQTWWLMQOP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244261;MM244261;CC#CC(O)(CO)C(=N)N;OALIVVNLVGYHIM-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244262;MM244262;CC#CC(O)(CO)C(N)=O;ACJFBCSXIDDXHW-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244263;MM244263;N=Cn1[nH]cc(O)c1=O;SOOKCUZBWYSKEP-UHFFFAOYSA-N;127.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244264;MM244264;CC#CC(F)(CF)C(=N)N;JBSRNEVQHXXOAF-UHFFFAOYSA-N;146.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244265;MM244265;CC#CC(F)(CO)C(N)=O;WEBJYBYVRXZUER-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244266;MM244266;C=C(C)C(C)(C#CC)NC;FTMIPPLGIXVGGZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244267;MM244267;C=C(C)C(C)(C#N)C#CC;IKVPAZOOSFUIMC-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244268;MM244268;C=C(C)C(O)(C#CC)C=O;PCJVRCZGJPPHBJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244269;MM244269;CC#CC(O)(C=O)C(N)=O;FXOOCAXUWZOMCO-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244270;MM244270;CC#CC(O)(C#N)C(N)=O;ZXXPDVCAOKOECK-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244271;MM244271;Cc1oc(=NN)[nH]c1F;HTHRHMRLOTZSOG-UHFFFAOYSA-N;131.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244272;MM244272;C=CC(F)(C#CC)C(=N)N;ATPDXYSKFIJVLU-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244273;MM244273;CC#CC(F)(C=O)C(N)=O;GVIMGOUMWDALQX-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244274;MM244274;C#CC(C)(C#CC)C(=C)C;BMTLGJHFJVMNLG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244275;MM244275;C#CC(C)(C#CC)C(=N)N;FQVNEIVOCULMEQ-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244276;MM244276;C#CC(C)(C#CC)C(N)=O;DIUYUOVUJVHQEY-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244277;MM244277;C#CC(C)(C#CC)C(=C)F;RNLMRLYNOBCCII-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244278;MM244278;CC(C)C(C)(CN)C(C)C;ZZTRKDFUKKYORR-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244279;MM244279;CCC(C)(C(C)C)C(C)N;BVVKAPOUBWYTTD-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244280;MM244280;CC(C)C(C)(CN)C(C)O;VWJFQBOLERXMRQ-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244281;MM244281;CC(C)C(C)(CN)C(C)F;LZECPUAMTHDXJD-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244282;MM244282;CC(C)C(C)(CN)C(F)F;KIHJLMDSLXJDGZ-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244283;MM244283;CC(N)C(C)(CN)C(C)N;YWNHQOKALHFLSV-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244284;MM244284;CCC(C)(C(C)N)C(C)F;DPBYGTVJSDZVHQ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244285;MM244285;CC(N)C(C)(CF)C(C)F;CBRDLLZXBKOITG-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244286;MM244286;CC(N)C(C)(CO)C(F)F;OXFLYLPWVXIDAE-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244287;MM244287;CC(O)C(C)(CN)C(F)F;WIYZPELEXRPMDA-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244288;MM244288;CC(O)C(C)(CO)C(F)F;CLEFZUPEZYVXNB-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244289;MM244289;CC(F)C(C)(CN)C(C)F;PLNPMGAUQCDKED-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244290;MM244290;CC(F)C(C)(CF)C(C)F;NFUJUONOLDARAW-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244291;MM244291;CC(C)C(N)(CN)C(C)C;JFHYANLXTMECJB-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244292;MM244292;CC(C)C(N)(CF)C(C)C;WPSQBXFXTGVHLN-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244293;MM244293;CCC(N)(C(C)C)C(C)O;UHOFLJAXWLGBMJ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244294;MM244294;CCC(N)(C(C)C)C(C)F;CEOORZZEOARNOX-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244295;MM244295;CC(N)C(N)(CO)C(C)O;WBXFVWFNZDJFOQ-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244296;MM244296;CC(N)C(N)(CF)C(C)F;VBTYPIUFMILMPA-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244297;MM244297;CCC(N)(C(C)N)C(F)F;SMGUPCJSZCZKTI-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244298;MM244298;CC(N)C(N)(CO)C(F)F;SRSRKOOVPORQOY-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244299;MM244299;CC(O)C(N)(CO)C(C)O;ZYDNNLXBOFQGLA-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244300;MM244300;CC(C)C(O)(CN)C(C)C;YAPUHQGZDNIEIJ-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244301;MM244301;CC(C)C(O)(CN)C(C)F;MATIWNWTUMYSPV-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244302;MM244302;CC(C)C(O)(CO)C(C)F;SBTLFYMTHKJYFP-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244303;MM244303;CC(N)C(O)(CO)C(C)N;OGNCNDWRAPLIFA-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244304;MM244304;CC(N)C(O)(CO)C(C)O;QTXDGKGMVDZBSX-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244305;MM244305;CC(N)C(O)(CO)C(F)F;RDCIEGRBKNCYTA-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244306;MM244306;CC(O)C(O)(CN)C(C)O;PNFQVQVYYOBINI-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244307;MM244307;CC(O)C(O)(CN)C(F)F;RCKCISHVYXRNFP-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244308;MM244308;CC(F)C(O)(CO)C(C)F;QXBVVHAMOALYCV-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244309;MM244309;CC(C)C(F)(CN)C(C)C;FHTVZZCNFKEGPJ-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244310;MM244310;CC(N)C(F)(CO)C(C)N;IJQDYHVPEFVLGH-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244311;MM244311;CC(N)C(F)(CO)C(C)O;KXLLWABEPMHZND-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244312;MM244312;CC(O)C(F)(CO)C(C)F;JDZVVQZONHRVIJ-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244313;MM244313;CNC(C)(C(C)C)C(C)C;XTKSQFQWBLXUHN-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244314;MM244314;CNC(C)(C(C)C)C(C)N;BXKGQVKSGLFRGZ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244315;MM244315;CNC(C)(C(C)C)C(C)O;MVTQOUFOTUCWKU-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244316;MM244316;CNC(C)(C(C)C)C(C)F;VZMLQCUHVIEEEO-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244317;MM244317;CNC(C)(C(C)O)C(C)F;AIURQQXLGMCCQX-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244318;MM244318;CCC(C)(C(C)C)N(C)C;SRTOYUCGWHUOQU-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C4";;;;;;;3.9;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244319;MM244319;CC(C)C(C)(CN)N(C)C;MDIVMGDPCMFYEM-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244320;MM244320;CCC(C)(C(C)N)N(C)C;RADVDVHKBRRLPZ-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244321;MM244321;CCN(O)C=NC(C)=N;LMJVZSIXXJYAIW-UHFFFAOYSA-N;129.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244322;MM244322;CC(C)C(C)(C=O)C(C)F;OMDXCHQDFIYCAU-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244323;MM244323;C=CC(C)(C(C)N)C(C)F;BKDGWBVZQHHTAW-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244324;MM244324;C=CC(C)(C(C)O)C(C)F;PZJLGALEPAJXBH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244325;MM244325;CC(O)C(C)(C=O)C(C)F;LKIUBIYCBOMVQJ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244326;MM244326;C=CC(C)(C(C)F)C(C)F;PZHOVARBWHZCNW-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244327;MM244327;CC(F)C(C)(C=O)C(C)F;RVDCGXFWUADOAZ-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244328;MM244328;C=CC(N)(C(C)C)C(C)F;ARPWOQXKHNYUCX-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244329;MM244329;CC(C)C(O)(C=O)C(C)C;OCTZTUGFQYMECR-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244330;MM244330;CC(C)C(O)(C=O)C(C)F;MQVYBGSQWSDGPC-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244331;MM244331;C=CC(O)(C(C)N)C(C)N;GTCOMELPENSAMD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244332;MM244332;C=CC(O)(C(C)N)C(C)F;MYZHHTILPHSKAD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244333;MM244333;C=CC(O)(C(C)O)C(C)F;XRZXJWBHEFGOFH-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244334;MM244334;CC(O)C(O)(C=O)C(C)F;MVEOQAMMKPKIDA-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244335;MM244335;CC(F)C(O)(C=O)C(C)F;QTURLRHGYGGCJW-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244336;MM244336;CC(F)C(O)(C#N)C(F)F;IKSXBSXOUBSGKM-UHFFFAOYSA-N;153.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244337;MM244337;CC(O)C(F)(C=O)C(F)F;ACPORHGLFGDAKP-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244338;MM244338;O=CC(F)(C(F)F)C(F)F;JQGBLKNKXPSCJQ-UHFFFAOYSA-N;162.06;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244339;MM244339;C#CC(C)(C(C)C)C(C)F;XBHGEZPTUGKADV-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244340;MM244340;C#CC(N)(C(C)C)C(C)C;CIRLIXNQVXXRPT-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244341;MM244341;C#CC(N)(C(C)N)C(C)O;KWMMIUVARAPOLN-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244342;MM244342;C#CC(N)(C(C)O)C(C)O;PMURQANFCAJXBZ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244343;MM244343;C#CC(N)(C(F)F)C(F)F;PUIDDZUVXKPUOJ-UHFFFAOYSA-N;155.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244344;MM244344;C#CC(O)(C(C)N)C(C)O;KYKSNYYMZOJGQX-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244345;MM244345;C#CC(O)(C(F)F)C(F)F;CUTNATYNRWIQKD-UHFFFAOYSA-N;156.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244346;MM244346;C#CC(F)(C(C)O)C(F)F;SEWFSXSBCNBCSA-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244347;MM244347;C=C(C)C(C)(CC)C(C)C;HAQQQIKXHZBQNC-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244348;MM244348;C=C(C)C(C)(CN)C(C)C;ZMCOLPRPKSJRRI-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244349;MM244349;CC(=O)C(C)(CF)C(C)C;YMUZWFWXCDBYQU-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244350;MM244350;CCC(C)(C(=N)N)C(C)C;VKZGPXNJIRGYQY-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244351;MM244351;CNC(=NN)OC(N)=O;HOCMRNJWJNNTMB-UHFFFAOYSA-N;132.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244352;MM244352;CC(C)C(C)(CN)C(N)=O;KCIGGGUDHNGAJJ-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244353;MM244353;CC(C)C(C)(CF)C(N)=O;KVWALQPTKMOZIG-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244354;MM244354;CC(C)C(C)(CF)C(=O)O;AIIDUZRQVQTGND-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244355;MM244355;C=C(F)C(C)(CN)C(C)C;RPXFPBIYQFKQFB-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244356;MM244356;C=C(C)C(C)(CC)C(C)N;YYKXSINENDIYMF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244357;MM244357;C=C(C)C(C)(CF)C(C)N;FUTVVKAASHHIRS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244358;MM244358;C=C(F)C(C)(CF)C(C)N;ROGPCIWGFWGFBL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244359;MM244359;C=C(C)C(C)(CN)C(C)O;DYNHPDZURPWLHK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244360;MM244360;C=C(C)C(C)(CF)C(C)O;PQQNHDHEWCTVGZ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244361;MM244361;CCC(C)(C(N)=O)C(C)O;WJMLKTWPQYAQSV-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244362;MM244362;C=C(C)C(C)(CN)C(C)F;LXNOJUVXULHBBY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244363;MM244363;CCC(C)(C(=N)N)C(C)F;GANQBTYLKTZZFM-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244364;MM244364;CC(F)C(C)(CN)C(=N)N;WVGANKLMAQKIQH-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244365;MM244365;CC(F)C(C)(CO)C(=N)N;GLEHUVDCOWIRCZ-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244366;MM244366;CC(F)C(C)(CF)C(=N)N;ZLCQELOWPZQAJF-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244367;MM244367;CC(F)C(C)(CN)C(N)=O;KCQHUGCQUKURSD-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244368;MM244368;CC(F)C(C)(CF)C(N)=O;FBZLRFWSCSCAPG-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244369;MM244369;CCC(C)(C(=O)O)C(C)F;CEIXSZYGYZUKHH-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244370;MM244370;CC(F)C(C)(CF)C(=O)O;PUSUBMRFKCELTO-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244371;MM244371;C=C(F)C(C)(CN)C(C)F;ISFAYDQQBUJJDE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244372;MM244372;C=C(F)C(C)(CF)C(C)F;COIZPNZODDMMEX-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244373;MM244373;CC(=O)C(C)(CO)C(F)F;KBTIBYOTEMZVKT-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244374;MM244374;C=C(C)C(N)(CC)C(C)C;ACAVWHFWRLISPD-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C4";;;;;;;3.53;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244375;MM244375;C=C(C)C(N)(CF)C(C)C;VCRAVPILXGXOLW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244376;MM244376;CC(N)C(N)(CN)C(N)=O;XATQXVKIYGRGMV-UHFFFAOYSA-N;146.19;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244377;MM244377;C=C(C)C(N)(CC)C(C)O;YZGBUEBCMMUPNX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244378;MM244378;C=C(C)C(N)(CN)C(C)O;YDDXFSUTGQXQFI-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244379;MM244379;CC(O)C(N)(CO)C(=N)N;IXQDPRDEQRQETC-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244380;MM244380;CCC(N)(C(=N)N)C(F)F;JQQULLSSNPTKSW-UHFFFAOYSA-N;151.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244381;MM244381;N=C(N)C(N)(CO)C(F)F;ZPMICVACYDLPDT-UHFFFAOYSA-N;153.13;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244382;MM244382;NC(=O)CNN=CCO;MDBHWNRTDPMIRB-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244383;MM244383;C=C(C)C(O)(CN)C(C)C;FKJLVNYXSSOTKA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244384;MM244384;C=C(C)C(O)(CF)C(C)C;LMWUFEADKLKCLH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244385;MM244385;CC(C)C(O)(CF)C(=N)N;SMTUWYFEIPOKIQ-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244386;MM244386;CC(C)C(O)(CF)C(N)=O;YYTJCHLBBHYMNH-UHFFFAOYSA-N;149.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244387;MM244387;N=Cn1nnc(O)c1N;YEZFESPAEOPERF-UHFFFAOYSA-N;127.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244388;MM244388;C=C(F)C(O)(CN)C(C)C;QGTQTDKBILZCFD-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244389;MM244389;CC(N)C(O)(CO)C(=N)N;ZFXJOPGPBBQQQQ-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244390;MM244390;C=C(C)C(O)(CO)C(C)O;JGMQPRHOTRBYKL-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244391;MM244391;CC(O)C(O)(CO)C(N)=O;QQPQYTLNQDAOEO-UHFFFAOYSA-N;149.15;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244392;MM244392;C=C(F)C(O)(CO)C(C)O;CFHYCRBOINOQFV-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244393;MM244393;C=C(C)C(O)(CF)C(C)F;ZTXWWPPACXFBRI-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244394;MM244394;CC(=O)C(O)(CO)C(C)F;BHSMMOHAZQGCNO-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244395;MM244395;CC(F)C(O)(CF)C(=N)N;LFYNQBIOJCESDX-UHFFFAOYSA-N;152.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244396;MM244396;CC(F)C(O)(CF)C(N)=O;IXFBSJPLOZXKKL-UHFFFAOYSA-N;153.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244397;MM244397;C=C(F)C(O)(CO)C(C)F;CQPKKIXXUXJMLC-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244398;MM244398;C=C(C)C(O)(CO)C(F)F;QOKCPBJRIZOZAK-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244399;MM244399;N=C(N)C(O)(CN)C(F)F;VWPQCMBUEFYVJI-UHFFFAOYSA-N;153.13;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244400;MM244400;N=C(N)C(O)(CO)C(F)F;RHOHLEMBHHRBLW-UHFFFAOYSA-N;154.12;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244401;MM244401;NC(=O)C(O)(CO)C(F)F;KCOGGEOISAQKGW-UHFFFAOYSA-N;155.1;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244402;MM244402;C=C(C)C(F)(CN)C(C)C;ZFEJISUJDKBERO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244403;MM244403;CCC(F)(C(C)=O)C(C)C;IQDNRQPDLPOIII-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244404;MM244404;CCC(F)(C(N)=O)C(C)C;TWIJETXKFAUPEY-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244405;MM244405;CCC(F)(C(=O)O)C(C)C;GDOAQOCMXWMBEI-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244406;MM244406;CC(C)C(F)(CF)C(=O)O;MEPOTJXLVXRTPM-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244407;MM244407;C=C(C)C(F)(CN)C(C)N;QEEQCSFMCPILBC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244408;MM244408;C=C(C)C(F)(CF)C(C)N;ZJGKPAGPKVHOBR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244409;MM244409;CCC=NNC=CC(=O)O;KHTIKMDFUIIOTE-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244410;MM244410;C=C(F)C(F)(CO)C(C)O;HRJHGKPKPIYJFS-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244411;MM244411;C=C(C)C(F)(CN)C(C)F;KQDKZSDRYCAJHZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244412;MM244412;CC(=O)C(F)(CF)C(C)F;KBWGOUQQYYQWTR-UHFFFAOYSA-N;154.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244413;MM244413;CC(F)C(F)(CO)C(N)=O;ORDLNBMKFPDLAT-UHFFFAOYSA-N;153.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244414;MM244414;C=C(C)C(C)(NC)C(C)C;NTVIUBFZEZKDEZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244415;MM244415;CNC(C)(C(C)=O)C(C)C;BFGFNJKUQVSOIX-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244416;MM244416;C=C(F)C(C)(NC)C(C)C;QGSYNAAFKRYOGE-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244417;MM244417;C=C(F)C(C)(NC)C(C)N;QOWOIVPEHVKPSA-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244418;MM244418;C=C(C)C(C)(NC)C(C)F;HBKWHIVDMQNNEL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244419;MM244419;CNC(C)(C(=N)N)C(C)F;LTMKKOIQEWEHEO-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244420;MM244420;CNC(C)(C(=N)N)C(F)F;XDJFAHJPCUWACV-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244421;MM244421;COC(C)(C(N)=O)C(C)O;CVPHABYYQPZQSV-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244422;MM244422;COC(C)(C(N)=O)C(C)F;BZSGVZZPQIXPIN-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244423;MM244423;C=C(C)C(C)(CN)N(C)C;LJFOFBKYVQSEPA-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244424;MM244424;C=C(C)C(C)(C=O)C(C)C;IDUIZTKFLFKGBT-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244425;MM244425;C=CC(C)(C(=N)N)C(C)C;UHNIKAYIGGBNAX-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244426;MM244426;CC(C)C(C)(C=O)C(=N)N;YETYJTSYFKOKDK-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244427;MM244427;NN=CN(O)CC=CF;FJKHSAQQLGVAJQ-UHFFFAOYSA-N;133.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244428;MM244428;C=C(F)C(C)(C=O)C(C)C;SOHKVPQLUMANLD-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244429;MM244429;C=C(C)C(C)(C=O)C(C)O;JWBPGPCUYFBINC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244430;MM244430;C=CC(C)(C(C)=O)C(C)O;LQDLXHTYYPTQSI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244431;MM244431;CC(O)C(C)(C=O)C(N)=O;ZALMACMJZFQXPR-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244432;MM244432;CC(O)C(C)(C#N)C(N)=O;OJNFPPHNRSWVMX-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244433;MM244433;C=C(F)C(C)(C=O)C(C)O;FAWGXJRMRZWOIW-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244434;MM244434;C=C(C)C(C)(C=O)C(C)F;AVPODLPQSKQLCC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244435;MM244435;C=CC(C)(C(=N)N)C(C)F;OPPHATHRKOAXLR-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244436;MM244436;C=C(C)C(C)(C=O)C(F)F;USECJNYKJDZNPK-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244437;MM244437;C=CC(N)(C(=C)C)C(C)N;OOZAFWWHLAGSQM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244438;MM244438;C=CC(N)(C(=C)C)C(C)O;LKZVTAHVDIRGSB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244439;MM244439;C=C(C)C(O)(C#N)C(C)O;LLPVOARPDBLULO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244440;MM244440;CC(O)C(O)(C=O)C(N)=O;BGMOZDGPGHFYQY-UHFFFAOYSA-N;147.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244441;MM244441;CC(F)C(O)(C#N)C(N)=O;KLIWNCSUXBAZRJ-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244442;MM244442;C=C(F)C(O)(C#N)C(F)F;OWFFXMMFSNNIGM-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244443;MM244443;C=CC(F)(C(C)=O)C(C)C;QGSXGHGQZVFXEG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244444;MM244444;C=C(F)C(F)(C=O)C(C)O;HEGMISAHIDDZLK-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244445;MM244445;NN=CCN(O)C=NN;VHQZOIHVMWPXLB-UHFFFAOYSA-N;131.14;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244446;MM244446;CC(F)C(F)(C#N)C(N)=O;VDEADOGUMHOKOP-UHFFFAOYSA-N;148.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244447;MM244447;C=CC(C)(C(=C)C)N(C)C;WDEXYUJOKDYCSR-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244448;MM244448;C=C(F)C(C)(C=O)N(C)C;BCAOLLXSKHCMJZ-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244449;MM244449;C#CC(C)(C(C)=O)C(C)C;YDCNGJAPPLJXQV-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244450;MM244450;C#CC(C)(C(=O)O)C(C)C;FPCZKFPLLCOAIX-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244451;MM244451;C#CC(N)(C(=C)C)C(C)C;ZVFJYFYJYIJCTA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244452;MM244452;C#CC(N)(C(=C)C)C(C)N;FUUFZDQOBRCPJQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244453;MM244453;C#CC(N)(C(=N)N)C(C)N;YQRNWTSNDMCMTJ-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244454;MM244454;C#CC(N)(C(=N)N)C(C)O;ADYUXWYQBBUTEC-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244455;MM244455;C#CC(N)(C(=N)N)C(C)F;NPTAMTMWBMQVJS-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244456;MM244456;C=C(C)C(F)C(=N)NO;UNKLVGPPDHLTFH-UHFFFAOYSA-N;132.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244457;MM244457;C#CC(O)(C(=N)N)C(C)N;SICMDQGNKNILIP-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244458;MM244458;C#CC(O)(C(N)=O)C(C)O;GWTRSWHATYNPRK-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244459;MM244459;C#CC(O)(C(=C)F)C(C)O;FEIFZYPPCZFEEL-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244460;MM244460;C#CC(O)(C(=N)N)C(C)F;HVAYCBQESKGAAZ-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244461;MM244461;C#CC(O)(C(N)=O)C(C)F;BRWJEFGRVJWKRA-UHFFFAOYSA-N;145.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244462;MM244462;C#CC(F)(C(=N)N)C(C)F;GAXCYTMXRKLVJD-UHFFFAOYSA-N;146.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244463;MM244463;C#CC(F)(C(N)=O)C(C)F;YRUMURUEWXDRJI-UHFFFAOYSA-N;147.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244464;MM244464;C#CC(F)(C(=O)O)C(F)F;JNDYTJYQEDYAFR-UHFFFAOYSA-N;152.07;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244465;MM244465;C=C(C)C(C)(CN)C(=C)C;HZAPOMSBNMOLLS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244466;MM244466;C=C(C)C(C)(CN)C(=N)N;VIJAKJXIMNKAGX-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244467;MM244467;C=C(C)C(C)(CF)C(=N)N;UWWXOIKSPRXEHP-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244468;MM244468;C=CCON=C(C)NO;RIYCMGLEUUYGCI-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244469;MM244469;C=C(C)C(C)(CC)C(=O)O;ICJFFLLDCIQKTE-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244470;MM244470;C=C(C)C(C)(CF)C(=O)O;AVRPMWDEKDZRFO-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244471;MM244471;C=C(C)C(C)(CN)C(=C)F;AEVQTOXPKJPVPH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244472;MM244472;CC(=O)C(C)(CF)C(=N)N;ZCLUEFAHYDVLKW-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244473;MM244473;C=C(F)C(C)(CF)C(C)=O;VLPLJBAOUOBPFX-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244474;MM244474;C=C(F)C(C)(CC)C(=N)N;CRLCMCWXUCTQHN-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244475;MM244475;C=C(F)C(C)(CN)C(=N)N;JSAGZLYYXUKWFT-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244476;MM244476;C=C(F)C(C)(CO)C(=N)N;FSAQCTWQAKCRSV-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244477;MM244477;C=C(F)C(C)(CF)C(=N)N;RRBLBAKGGNSWOK-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244478;MM244478;N=c1nnc(N)c(O)o1;IFDUVWKKVDPKFT-UHFFFAOYSA-N;128.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244479;MM244479;C=C(F)C(C)(CN)C(N)=O;BDALFVHXGVAIHH-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244480;MM244480;C=C(F)C(C)(CO)C(N)=O;GFGQVKSZCALSGR-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244481;MM244481;C=C(F)C(C)(CF)C(N)=O;UKDORXKANHHQPE-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244482;MM244482;C=C(F)C(C)(CF)C(=O)O;MKZKLYZCUMKSET-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244483;MM244483;C=C(F)C(C)(CN)C(=C)F;ZDVJCBFRGVFAFQ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244484;MM244484;C=C(C)C(N)(CF)C(=C)C;VPIGNZJCXZNIJW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244485;MM244485;N=C(N)C(N)(CO)C(=N)N;OJLUTXHGWAHLSA-UHFFFAOYSA-N;145.17;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244486;MM244486;N=C(N)C(N)(CO)C(N)=O;KOMJLJZJXFSPQI-UHFFFAOYSA-N;146.15;-2.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244487;MM244487;C=C(CO)NC=NOC;IYPSMCASMXKYRS-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244488;MM244488;C=C(C)C(O)(CF)C(=C)C;UWRPCFCBVAHFPU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244489;MM244489;C=C(C)C(O)(CC)C(C)=O;FWZFHXZGIGOCGT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244490;MM244490;C=C(C)C(O)(CF)C(=N)N;BVNCPIXHXUQOKD-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244491;MM244491;CCC=NN(C)CC(=O)O;GRKNFOUNGRKGNP-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244492;MM244492;C=C(C)C(O)(CN)C(=C)F;IWVYWUCOMKTMSK-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244493;MM244493;CC(=O)C(O)(CO)C(=N)N;YCKOMILEOQZSJT-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244494;MM244494;C=C(F)C(O)(CC)C(C)=O;QVRQZEHAAMQODX-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244495;MM244495;C=C(F)C(O)(CO)C(C)=O;TWBQHLZRXPRDBY-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244496;MM244496;N=C(N)C(O)(CO)C(=N)N;QZPWRZUZYLRMJX-UHFFFAOYSA-N;146.15;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244497;MM244497;N=C(N)C(O)(CN)C(N)=O;TWWPTARIBVVHFX-UHFFFAOYSA-N;146.15;-2.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244498;MM244498;N=C(N)C(O)(CO)C(N)=O;QLDHUCKGIJUKRY-UHFFFAOYSA-N;147.13;-2.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244499;MM244499;C=C(F)C(O)(CF)C(=N)N;QRIOCRYLISNAKZ-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244500;MM244500;NC(=O)C(O)(CO)C(N)=O;YMOURWROZSVBAE-UHFFFAOYSA-N;148.12;-3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244501;MM244501;CCC(=O)CC(C)C(=O)O;XWNQNPYBBPLMDJ-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244502;MM244502;C=C(F)C(O)(CF)C(N)=O;KPQNJEJXTJOKRK-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244503;MM244503;C=C(C)C(F)(CN)C(=C)C;WZWVGNPXBJVRIQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244504;MM244504;C=C(C)C(F)(CF)C(=C)C;ZCQPVQGGXLXXEZ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244505;MM244505;C=C(C)C(F)(CC)C(C)=O;IOEHBTQIGPUHND-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244506;MM244506;C=C(C)C(F)(CF)C(C)=O;LECXFUHMFKLILP-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244507;MM244507;C=C(C)C(F)(CC)C(N)=O;XFFQYZHETNKDLR-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244508;MM244508;C=C(C)C(F)(CF)C(=O)O;DPGWFLSCUMWIQS-UHFFFAOYSA-N;150.12;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244509;MM244509;C=C(C)C(F)(CN)C(=C)F;CSZBOZLLJCNXNZ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244510;MM244510;CCC(F)(C(C)=O)C(N)=O;WAFRCVMJRLBHTO-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244511;MM244511;C=C(F)C(F)(CC)C(C)=O;HJSZGLOXHZUDMP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244512;MM244512;CCN(O)C=NCC=O;XYKOUDHFGCYUBI-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244513;MM244513;C=C(F)C(F)(CO)C(N)=O;FXNCALSJBGSADV-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244514;MM244514;C=C(C)C(C)(NC)C(=C)C;RJBDYZUWLXXNCZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244515;MM244515;C=C(C)C(C)(NC)C(N)=O;OSRCFPBFRMKSSB-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244516;MM244516;CCN(O)C=NC=NN;MLXZSHAVWMZDEV-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244517;MM244517;C=C(F)C(C)(NC)C(=N)N;BWFPHCACUFMQNB-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244518;MM244518;C=C(F)C(C)(NC)C(=C)F;QDHGPVCLCSACDE-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244519;MM244519;COC(C)(C(=N)N)C(N)=O;FPDLJEBNHWUBEA-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244520;MM244520;C=C(F)C(C)(OC)C(N)=O;VIHHWYUCCBEBBG-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244521;MM244521;C=CC(C)(C(=C)C)C(C)=O;LMXYIGUTAXLMRD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244522;MM244522;C=C(C)C(C)(C=O)C(C)=O;ATFKWTFYRFFNNY-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244523;MM244523;C=CC(C)(C(=C)C)C(=N)N;DKSANBJSDQEONH-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244524;MM244524;C=C(C)C(C)(C#N)C(=N)N;QQHOKZHHLQZXRZ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244525;MM244525;N=C(NO)C(F)C=NN;PSFGWHFLJFRPDM-UHFFFAOYSA-N;134.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244526;MM244526;C=C(C)C(C)(C#N)C(N)=O;RBDRIAOWMAQKCJ-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244527;MM244527;C=CC(C)(C(=C)C)C(=O)O;RZLMHTHSOZBYEO-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244528;MM244528;C=C(C)C(C)(C=O)C(=C)F;ALWMICKNDVZFOG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244529;MM244529;CC(=O)C(C)(C=O)C(C)=O;YIEGDOCJKGWIMB-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244530;MM244530;C=CC(C)(C(=C)F)C(C)=O;AFRXIQRQNHFCRM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244531;MM244531;CC(C=O)(C(=N)N)C(N)=O;IOJRKHLAOYCXMX-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244532;MM244532;C=CC(C)(C(=C)F)C(=N)N;ONNHJBYNYZYTLJ-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244533;MM244533;C=C(F)C(C)(C#N)C(=N)N;CHKYOOUBLYCTRS-UHFFFAOYSA-N;141.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244534;MM244534;CC(C=O)(C(N)=O)C(N)=O;JZFMXPLJWAKSAT-UHFFFAOYSA-N;144.13;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244535;MM244535;C=C(F)C(C)(C=O)C(=C)F;ADBFFVTXPKZULM-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244536;MM244536;C=CC(N)(C(=C)C)C(=C)C;PRVQRRUYAMKCMA-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244537;MM244537;C=CC(O)(C(=C)C)C(=N)N;DQDHMPWHDVDKKK-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244538;MM244538;CC(=O)C(O)(C#N)C(C)=O;LPJMSCQSMFYKNF-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244539;MM244539;CC(=O)C(O)(C=O)C(N)=O;DIRFYFKSMORWTH-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244540;MM244540;C=C(F)C(O)(C#N)C(C)=O;FUPQYRCKSMXNDT-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244541;MM244541;C=CC(O)(C(=N)N)C(=N)N;CSRRRKKMJIQHQZ-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244542;MM244542;CCCC(=NOC)NO;QOBIAHDSHGKAGA-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244543;MM244543;CC(=O)C(F)(C=O)C(N)=O;HCPUEMHNGYFBQQ-UHFFFAOYSA-N;147.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244544;MM244544;C=C(F)C(F)(C#N)C(N)=O;SWWIPXDGUNMVSS-UHFFFAOYSA-N;146.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244545;MM244545;C#CC(C)(C(=C)C)C(C)=O;ZHHFXBAOJAHQPD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244546;MM244546;C#CC(C)(C(C)=O)C(C)=O;USTUYKNXEVEZTQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244547;MM244547;C#CC(N)(C(=C)C)C(=C)C;VSGKLLHVKUKHTM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244548;MM244548;C#CC(N)(C(=C)F)C(=N)N;AWTNGRSYDUTCNL-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244549;MM244549;CNN=C(CC=O)NO;YTRXFARGFKDDTD-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244550;MM244550;CC(=O)C(C)C(C)C(=O)O;AUVJPOODTYNOMA-UHFFFAOYSA-N;144.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244551;MM244551;C#CC(O)(C(=C)F)C(N)=O;MZAWRYPDQZPYME-UHFFFAOYSA-N;143.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244552;MM244552;CCC(C=O)C(C)C(=O)O;VWBVCEFMESZQGC-UHFFFAOYSA-N;144.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244553;MM244553;C#CC(F)(C(=C)F)C(=N)N;PKYFLJHQULQNIW-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244554;MM244554;C#CC(F)(C(=C)F)C(N)=O;WPFYSGWUYJIJPP-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244555;MM244555;CCC1CC(C(C)(C)C)C1;WCNQFWQUNGRHIN-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244556;MM244556;COC1CC(C(C)(C)N)C1;VCDMMRUVEQOGSB-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244557;MM244557;CCC1CN(C(C)(C)C)C1;DGTSQQBKAGEINV-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244558;MM244558;CC(C)(C)N1CC(CN)C1;IZVSBMCDUQPJBW-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244559;MM244559;CC(C)(C)N1CC(CO)C1;DBLSRSTZXJKPCI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244560;MM244560;CNC1CN(C(C)(C)C)C1;YRKHMMAUMGNJER-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244561;MM244561;C#CC1CC(C(C)(C)C)C1;KUQGKHCCCSAKFX-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244562;MM244562;C#CC1CN(C(C)(C)C)C1;NIIIZFKDMIIDKB-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244563;MM244563;CCC(C)CC(C)C(C)C;YKPNYFKOKKKGNM-UHFFFAOYSA-N;142.29;3.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244564;MM244564;CC(CN)CC(C)C(C)C;JRTGWCFJUMPADO-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244565;MM244565;C#CCC(=NNC)NO;BLVYVRDZQKPEMZ-UHFFFAOYSA-N;127.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244566;MM244566;CC(CF)CC(C)C(C)C;NSVADDNNUOLZQV-UHFFFAOYSA-N;146.25;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244567;MM244567;CCC(N)CC(C)C(C)C;JSXVXVNRXZBLRG-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244568;MM244568;CC(C)C(C)CC(N)CN;VZTKQWVUJVQUSD-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244569;MM244569;CC(C)C(C)CC(N)CF;CVLIBOFNYDZAGL-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244570;MM244570;Cc1cc(N)c(N)n1O;HQEAJRHWTBRPOL-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244571;MM244571;CC(C)C(C)CC(O)CO;FAKBMRSUVHIJPS-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244572;MM244572;CC(C)C(C)CC(O)CF;DIKHOXAZASXUBO-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244573;MM244573;CC(C)C(C)CC(F)CN;ZESSTMOAHJJSRH-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244574;MM244574;CC(C)C(C)CC(F)CO;MESFFEFOFVQIGT-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244575;MM244575;CC(C)C(C)CC(F)CF;FEEHJBWNJFUFAI-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244576;MM244576;CCC(C)CC(C)C(C)N;YMPUYUQDQFZWCP-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244577;MM244577;CC(CN)CC(C)C(C)N;DHYSQEBIRWWNAW-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244578;MM244578;CC(CO)CC(C)C(C)N;MNXSPKCPFFOSED-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244579;MM244579;CC(CF)CC(C)C(C)N;QRUZGRMRQXAMNY-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244580;MM244580;CCC(N)CC(C)C(C)N;RQSWUAPPTVBFEP-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244581;MM244581;CCC(O)CC(C)C(C)N;STPOPJDXRUEZCA-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244582;MM244582;CCC(F)CC(C)C(C)N;QDPRFOZKHHKYPX-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244583;MM244583;CNc1nc(=N)n(C)[nH]1;DGUAZAUYUVDKNA-UHFFFAOYSA-N;127.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244584;MM244584;CC(CN)CC(C)C(C)O;VBTXIOGEFJMWDQ-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244585;MM244585;C=COc1ccc(N)[nH]1;JQVZVUKJJAQPGO-UHFFFAOYSA-N;124.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244586;MM244586;CCC(N)CC(C)C(C)O;YSFGDVJACRRTIB-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244587;MM244587;CC(O)C(C)CC(N)CO;KRRAJIASOVZUFE-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244588;MM244588;CCC(O)CC(C)C(C)O;OORRBWLVIVLEFE-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244589;MM244589;CC(O)C(C)CC(O)CN;ZSNSCOCRXVRUBQ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244590;MM244590;CCC(C)CC(C)C(C)F;DLMKUALIWCJDAL-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244591;MM244591;CC(CN)CC(C)C(C)F;YFQRQQSMQLEWOA-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244592;MM244592;CC(CF)CC(C)C(C)F;TZZWFTFMDYMIOK-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244593;MM244593;CCC(N)CC(C)C(C)F;QQUZQLKECSPOGO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244594;MM244594;CC(F)C(C)CC(N)CF;DVAGVMQKIGTYQL-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244595;MM244595;CCC(F)CC(C)C(C)F;ZGFHVXPTGJIIJB-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244596;MM244596;CC=NNC(C=O)CO;YPXFWUGWRVGRLH-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244597;MM244597;CCC(N)CC(C)C(F)F;VWOKWJUWATZBHJ-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244598;MM244598;CC(CC(O)CF)C(F)F;HZXCIUNLEPQZSW-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244599;MM244599;CCC(F)CC(C)C(F)F;FRHVUXZMGQZXEB-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244600;MM244600;CC(CC(F)CN)C(F)F;KHWCFRMVZFGJIT-UHFFFAOYSA-N;155.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244601;MM244601;CCC(C)CC(N)C(C)C;YUSXTPBUNXOFGY-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244602;MM244602;CC(CN)CC(N)C(C)C;ZDCYILHYEJUXJR-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244603;MM244603;CC(CO)CC(N)C(C)C;BGWCOGAHQKNXQA-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244604;MM244604;CC(CF)CC(N)C(C)C;QIUNOCMGPMCEQU-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244605;MM244605;CCC(N)CC(N)C(C)C;QAATXRZDUGIEKI-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244606;MM244606;CCC(O)CC(N)C(C)C;FFLAQPQLAQIDGP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244607;MM244607;CC(C)C(N)CC(O)CN;FZOIKFHEYDPNMZ-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244608;MM244608;CCC(F)CC(N)C(C)C;PPEIQBHNFMCNHB-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244609;MM244609;CC(C)C(N)CC(F)CF;QTAJIGMYBFMJSX-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244610;MM244610;CCC(C)CC(N)C(C)N;SNQYETWLARFKDL-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244611;MM244611;CCC(N)CC(N)C(C)N;YYKSZIGZFUHJIR-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244612;MM244612;CC(N)C(N)CC(F)CN;VMBNNIWZRIZQRE-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244613;MM244613;CC(CO)CC(N)C(C)O;KVZRVYHXUAZSBX-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244614;MM244614;CC(O)C(N)CC(N)CN;LRIREXOGYNMEOJ-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244615;MM244615;CCC(O)CC(N)C(C)O;ORVFNKJMUONXFP-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244616;MM244616;CC(O)C(N)CC(O)CN;FPOPXTIVMIMQBX-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244617;MM244617;CC(O)C(N)CC(O)CO;TWDZXEHTCMQOEX-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244618;MM244618;CC(O)C(N)CC(F)CN;KVUWBTGEBVWFHE-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244619;MM244619;CC(O)C(N)CC(F)CO;JBCQCWYYZOSXIE-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244620;MM244620;CC(CF)CC(N)C(C)F;IHMBATRPRITJQU-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244621;MM244621;CC(F)C(N)CC(O)CN;UYOTZOXTJICDKS-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244622;MM244622;CCC(N)CC(N)C(F)F;FEGXEZBDJGMHHD-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244623;MM244623;C=NNCC(=NN)NO;KMGROVSVBWASPU-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244624;MM244624;CC(CN)CC(O)C(C)C;SYNDZURMXWAMJU-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244625;MM244625;CC(CO)CC(O)C(C)C;FCTDGGNCLZXZAX-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244626;MM244626;CC(CF)CC(O)C(C)C;YSFDSPBIESKTHI-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244627;MM244627;CCC(N)CC(O)C(C)C;QJBYYZQFZPKXDW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244628;MM244628;CC(C)C(O)CC(N)CO;YDPCZLGRJHAVOW-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244629;MM244629;CC(C)C(O)CC(N)CF;UJTGTKLHMPKDGM-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244630;MM244630;CCC(O)CC(O)C(C)C;AUGLSFONVIKZLA-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244631;MM244631;CC(C)C(O)CC(O)CN;GHNQUEQSQKYDON-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244632;MM244632;CC(C)C(O)CC(F)CN;RUAYXXASVIFWRQ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244633;MM244633;CC(C)C(O)CC(F)CF;KDXAKGPYNMQDJL-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244634;MM244634;CCC(C)CC(O)C(C)N;AYQMJMQZJVQPBT-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244635;MM244635;CC(CO)CC(O)C(C)N;YVUWQTIKZFHWPR-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244636;MM244636;CCC(N)CC(O)C(C)N;SCCCMAYMGINCSV-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244637;MM244637;CC(N)C(O)CC(N)CN;KRPFZTPUWDNKLL-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244638;MM244638;CC(N)C(O)CC(N)CO;SWWDSPRCWFKRFH-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244639;MM244639;CC(N)C(O)CC(N)CF;JVMYJATXHSENPK-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244640;MM244640;CCC(O)CC(O)C(C)N;NNJOMBOFVIFWCZ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244641;MM244641;CC(N)C(O)CC(O)CN;ADFYSNBFJHXVQY-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244642;MM244642;CC(N)C(O)CC(O)CO;ZSLWGEKAGWWHJC-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244643;MM244643;CC(CN)CC(O)C(C)O;XFCXHZAKIMILBO-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244644;MM244644;CC(CO)CC(O)C(C)O;GWGUILMAXZXVHF-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244645;MM244645;CCC(N)CC(O)C(C)O;XVNNRVMDFSFGRF-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244646;MM244646;CC(O)C(O)CC(N)CO;KKNYICPMKAPBRD-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244647;MM244647;CC(O)C(O)CC(O)CN;IQCQVROZTGLTMN-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244648;MM244648;CC(F)C(O)CC(N)CF;BLUHFJAKTLINLS-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244649;MM244649;CC(F)C(O)CC(F)CN;HHORAHDAJPSQAH-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244650;MM244650;CC(CN)CC(O)C(F)F;DKDAQIOILJTLGL-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244651;MM244651;CCC(O)CC(O)C(F)F;NCVMQEIBYRWKQO-UHFFFAOYSA-N;154.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244652;MM244652;OCC(O)CC(O)C(F)F;MFNNUXBVYPNRDT-UHFFFAOYSA-N;156.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244653;MM244653;CCC(F)CC(O)C(F)F;YIAIJSKSAPZPHR-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244654;MM244654;CC(CN)CC(F)C(C)C;ZAJGKMGYMAEXOK-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244655;MM244655;CC(CF)CC(F)C(C)C;CUBNSDUNOOCHEI-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244656;MM244656;CCC(N)CC(F)C(C)C;FXWNUGHUOHUUOB-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244657;MM244657;CC(C)C(F)CC(N)CF;ZIUOXSCMZBSLCY-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244658;MM244658;CC(C)C(F)CC(O)CO;KQLJRKVCFCTBSC-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244659;MM244659;CCC(F)CC(F)C(C)C;ZCXODLRVRLKXPC-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244660;MM244660;CC(C)C(F)CC(F)CO;UYCIMBMESSAJND-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244661;MM244661;CC(C)C(F)CC(F)CF;LEOFUARLGQPJAF-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244662;MM244662;CC(CN)CC(F)C(C)N;PPDDOJYMXLZTEH-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244663;MM244663;CC(CF)CC(F)C(C)N;KOELEPXOVXOZSP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244664;MM244664;CC(N)C(F)CC(N)CO;LCSURLHFFZHNHN-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244665;MM244665;CC(N)C(F)CC(O)CN;WROUCUJOTPGAIK-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244666;MM244666;CCC(F)CC(F)C(C)N;QYARRCCSEKSYSJ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244667;MM244667;CC(CF)CC(F)C(C)O;OMTCUIUWYFYZMR-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244668;MM244668;CCC(F)CC(F)C(C)O;WIBDWANRVZBQDB-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244669;MM244669;CC(CN)CC(F)C(C)F;AAQWTCYUDUJGIR-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244670;MM244670;CC(CO)CC(F)C(C)F;YBPDTBUVIRVEPL-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244671;MM244671;CC(CF)CC(F)C(C)F;LMZXDXVFCPXDJO-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244672;MM244672;CCC(N)CC(F)C(C)F;PJORZDYJGLQPCP-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244673;MM244673;CC(F)C(F)CC(N)CN;PWMJJMFPGXLDKM-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244674;MM244674;CC(F)C(F)CC(O)CN;JUMLHZBAEMFLJC-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244675;MM244675;CCC(F)CC(F)C(C)F;GGAJZUNBVZCPRX-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244676;MM244676;CC(F)C(F)CC(F)CN;BBGYQICCBXPRBQ-UHFFFAOYSA-N;155.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244677;MM244677;CC(F)C(F)CC(F)CO;HYVYMAKCUUWXQF-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244678;MM244678;CC(CO)CC(F)C(F)F;DLQBYTYYNFKDNS-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244679;MM244679;CC(CF)CC(F)C(F)F;JYBGACMSUSCMOO-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244680;MM244680;NC(CO)CC(F)C(F)F;KHWLOQSTMVGCBJ-UHFFFAOYSA-N;157.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244681;MM244681;CCC(O)CC(F)C(F)F;IDNSZYPKSICNEN-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244682;MM244682;CCC(F)CC(F)C(F)F;LCAWLGFGGQVMLD-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244683;MM244683;NCC(F)CC(F)C(F)F;HAJRYNQVNFAZSP-UHFFFAOYSA-N;159.13;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244684;MM244684;CNC(C)CC(C)C(C)C;KYLDDOYKTQBVEL-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244685;MM244685;CNC(C)CC(C)C(C)N;ZBAWANYLSMSJCC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244686;MM244686;CNC(C)CC(C)C(C)O;KOZYAZOWJSCHJJ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244687;MM244687;CNC(C)CC(C)C(C)F;BTENJWYVTUEICN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244688;MM244688;CNC(C)CC(N)C(C)C;KJHJJGQILMZLPR-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244689;MM244689;CNC(C)CC(N)C(C)F;ZCAAZOLHCZGHLB-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244690;MM244690;CNC(C)CC(O)C(C)C;IIQRBZHZJBETQO-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244691;MM244691;CNC(C)CC(O)C(C)O;XRPPNXVONJPQBW-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244692;MM244692;CNC(C)CC(O)C(F)F;UBTPLYSRXISUCW-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244693;MM244693;CNC(C)CC(F)C(C)C;CTAMYRMGAMXRSN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244694;MM244694;CNC(C)CC(F)C(C)F;QSNHHQIBPRNTFF-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244695;MM244695;COC(C)CC(C)C(C)N;MOJAZEPPZZVPIL-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244696;MM244696;COC(C)CC(C)C(C)O;DVSCQMQOTRLKBO-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244697;MM244697;COC(C)CC(C)C(C)F;GBADVHIKFNJOKX-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244698;MM244698;COC(C)CC(N)C(C)C;KWGNAUBPMXRYTE-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244699;MM244699;COC(C)CC(N)C(C)N;ZJBUEAXZEKHMNG-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244700;MM244700;COC(C)CC(N)C(C)O;AHEQMXXUQOCXDM-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244701;MM244701;COC(C)CC(O)C(C)C;JLIHKGVEVSSAAX-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244702;MM244702;COC(C)CC(O)C(C)O;BBWAFKDGXWMQBQ-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244703;MM244703;COC(C)CC(O)C(C)F;FWGLUBALCLRCEW-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244704;MM244704;COC(C)CC(F)C(C)C;XRAULKNMDONAHV-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244705;MM244705;CCC(C)NC(C)C(C)C;BEJHYSZHXLOYOO-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244706;MM244706;CC(CN)NC(C)C(C)C;WQGBQRIOZGKRAX-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244707;MM244707;CC(CF)NC(C)C(C)C;TUAPUBXSFZRPEW-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244708;MM244708;CCC(C)NC(C)C(C)N;FACUZLWBSXHXBE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244709;MM244709;CC(CF)NC(C)C(C)N;OTMRMJVFNAEHHW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244710;MM244710;CCC(C)NC(C)C(C)O;NYYIZQJSVIMUPV-UHFFFAOYSA-N;145.25;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244711;MM244711;CC(CO)NC(C)C(C)O;CYRKBEPWAJJBEP-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244712;MM244712;CC(CN)OC(C)C(C)C;HWHCICSHXRMMKV-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244713;MM244713;CCC(C)OC(C)C(C)N;PRVUTHCGCBHLQP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244714;MM244714;CC(CN)OC(C)C(C)N;XVYYIIRELCGJAI-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244715;MM244715;CC(CO)OC(C)C(C)N;XUAOUXQSMLVILU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244716;MM244716;CC(CN)OC(C)C(C)O;GQRXYGJJRXRQQY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244717;MM244717;CC(CO)OC(C)C(C)O;GBCBUDOYEJMSSO-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244718;MM244718;CC(CN)OC(C)C(C)F;JWBVMUUMLZCQLH-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244719;MM244719;CCN(C)CC(C)C(C)C;VAYRWRJYEDSIGA-UHFFFAOYSA-N;143.27;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244720;MM244720;CCN(C)CC(C)C(C)N;OLNIFTDVLLCOBZ-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244721;MM244721;CCN(C)CC(N)C(C)C;YAGHUZRRZHELHT-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244722;MM244722;CCN(C)CC(O)C(C)C;HDGDWKDDWJRKGT-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244723;MM244723;CCC(C)CC(C)N(C)C;JDIUFEJUJYJDBN-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244724;MM244724;CC(CN)CC(C)N(C)C;VTDQIRHUMHIIJG-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244725;MM244725;CC(CF)CC(C)N(C)C;OLFUUIIAQWJTBU-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244726;MM244726;CCC(O)CC(C)N(C)C;VBOISOTZRVADMY-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244727;MM244727;CNC(C)CC(C)N(C)C;WLWGTACLCJNFRC-UHFFFAOYSA-N;144.26;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244728;MM244728;COC(C)CC(C)N(C)C;OCUSUGQMTVEIPF-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244729;MM244729;CCC(C)CN(C)C(C)C;QIBOEUSVGZCSNY-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244730;MM244730;CC(CN)CN(C)C(C)C;OVYBGARNDIQOPS-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244731;MM244731;CC(CO)CN(C)C(C)C;FDVHQNHGTLUDOQ-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244732;MM244732;CC(CF)CN(C)C(C)C;QNJZACLVWHBUNF-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244733;MM244733;CCC(N)CN(C)C(C)C;LDEDXQSFWVIFQG-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244734;MM244734;CCC(O)CN(C)C(C)C;VNAPYQIBHMNQEV-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244735;MM244735;CCC(F)CN(C)C(C)C;WTVIYXMRAIJBPW-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244736;MM244736;CNC(C)CN(C)C(C)C;IAHBURDZDBXWPS-UHFFFAOYSA-N;144.26;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244737;MM244737;COC(C)CN(C)C(C)C;KGUIZAKOAJKILA-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244738;MM244738;C=CC(C)CC(C)C(C)C;KIGGFXQGIRRFRA-UHFFFAOYSA-N;140.27;3.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244739;MM244739;CC(C=O)CC(C)C(C)C;IUFLMXRTACVZAY-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244740;MM244740;CC(C#N)CC(C)C(C)C;DCXQCJUNBJFDSF-UHFFFAOYSA-N;139.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244741;MM244741;C=CC(N)CC(C)C(C)C;WHUZLFZXCMNJOO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244742;MM244742;CC1=NN=C(NO)CC1;WBZUTZTUJAHJDY-UHFFFAOYSA-N;127.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244743;MM244743;CC(C)C(C)CC(O)C=O;ZDGRLLNUWNQRQV-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244744;MM244744;CC(C)C(C)CC(O)C#N;MARUJERJWWTRIC-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244745;MM244745;CC(C)C(C)CC(F)C=O;UCZHXUYVIPNMSE-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244746;MM244746;CC(C)C(C)CC(F)C#N;VRBIRXMHHLTEGT-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244747;MM244747;C=CC(F)CC(C)C(C)N;ZIYOWFZTWNOJTL-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244748;MM244748;NN=C(CN1CC1)NO;LZFCXQASFHRRIS-UHFFFAOYSA-N;130.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244749;MM244749;CC(O)C(C)CC(O)C=O;IIENXFVZCYPNQB-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244750;MM244750;CC(O)C(C)CC(O)C#N;ZHOCMDVBLOLSFG-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244751;MM244751;CC(O)C(C)CC(F)C#N;IDNRWRFQCWSOKK-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244752;MM244752;C=CC(N)CC(C)C(C)F;ORLZCEWUJXOGEV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244753;MM244753;CC(F)C(C)CC(O)C#N;PXQJJGKXLHCQNU-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244754;MM244754;C=CC(F)CC(C)C(C)F;XAPCKFSBGBWVJL-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244755;MM244755;CC(F)C(C)CC(F)C#N;SAYUHLTWSIDJTI-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244756;MM244756;C=CC(C)CC(C)C(F)F;WRYDZEKIBGFEFQ-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244757;MM244757;C=CC(N)CC(C)C(F)F;RXGDQLDRDWUFEN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244758;MM244758;C=CC(O)CC(C)C(F)F;ALWLDBJESVIZEO-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244759;MM244759;CC(CC(O)C#N)C(F)F;AFPPZNWCDCKJIK-UHFFFAOYSA-N;149.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244760;MM244760;C=CC(C)CC(N)C(C)C;MTQQBHAHZBCRDZ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244761;MM244761;C=CC(F)CC(N)C(C)C;NZJWFIMTTJLTKV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244762;MM244762;C=CC(F)CC(N)C(C)F;VAUDLFQNMKLDFW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244763;MM244763;CC(=NOC1CC1)NO;CQPRJVAFUTXQSV-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244764;MM244764;CC(C=O)CC(O)C(C)C;AMBSJELVNBBKMC-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244765;MM244765;CC(C)C(O)CC(O)C=O;LTFPVTGBHKPPQR-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244766;MM244766;CC(C)C(O)CC(O)C#N;IVEXTWIDZWMDDP-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244767;MM244767;CC(C)C(O)CC(F)C#N;UDCAYUGLOFSJPF-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244768;MM244768;C=CC(N)CC(O)C(C)N;WCHVASFZCRSONT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244769;MM244769;C=CC(O)CC(O)C(C)N;JUOIABSBVSVQRZ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244770;MM244770;C=CC(C)CC(O)C(C)O;LEGHMZACKCNLNM-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244771;MM244771;C=CC(N)CC(O)C(C)O;KSTBCWYIONQSHF-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244772;MM244772;CC(O)C(O)CC(O)C=O;GNTQICZXQYZQNE-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244773;MM244773;CC(C=O)CC(O)C(F)F;ZMYXUBLHPWFIJL-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244774;MM244774;CC(C#N)CC(O)C(F)F;FKIJZFUEOSOYER-UHFFFAOYSA-N;149.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244775;MM244775;O=CC(O)CC(O)C(F)F;XOAPJEFZLQUXAH-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244776;MM244776;C=CC(C)CC(F)C(C)C;HBBCVAHUKWZCBJ-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244777;MM244777;CC(C=O)CC(F)C(C)C;KAAOPWIVBWYTEP-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244778;MM244778;C=CC(N)CC(F)C(C)C;LLPODASLYOVDEH-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244779;MM244779;C=CC(O)CC(F)C(C)C;DPMKYTAFKQVLRF-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244780;MM244780;CC(C)C(F)CC(O)C#N;WKYINWZXYPZUFW-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244781;MM244781;C=CC(F)CC(F)C(C)C;GCAFLWDUZFEXIR-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244782;MM244782;CC(C)C(F)CC(F)C#N;KJKDTBWNWZCYPO-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244783;MM244783;C=CC(F)CC(F)C(C)N;HBQCTJHVRILAFK-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244784;MM244784;C=CC(C)CC(F)C(C)F;JRGSOONFOUFKLP-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244785;MM244785;C=CC(N)CC(F)C(C)F;BOMXGXYKKPNBKL-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244786;MM244786;C=CC(C)CC(F)C(F)F;RSTOMSUJUIGEOR-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244787;MM244787;C=CC(N)CC(F)C(F)F;VPTOOUQZMMHLPY-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244788;MM244788;C=CC(O)CC(F)C(F)F;LAKOLCRSVIOJBV-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244789;MM244789;O=CC(O)CC(F)C(F)F;YHGQOJFOYCNOEQ-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244790;MM244790;C=CC(C)NC(C)C(C)C;YKZCNHJRUXRWKS-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244791;MM244791;CC(C=O)NC(C)C(C)C;YLCAIBMNWKQQMY-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244792;MM244792;C=CC(C)OC(C)C(C)C;LKBAOYPXCGRLGA-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244793;MM244793;CC(C#N)OC(C)C(C)C;UDIOUXQPZGAVSM-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244794;MM244794;CC(C)C(C)CN(C)C=N;NPTPZOSTMJSZBU-UHFFFAOYSA-N;142.25;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244795;MM244795;CC(C)C(C)CN(C)C=O;YDVVMACPHMHUTN-UHFFFAOYSA-N;143.23;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244796;MM244796;CC(C)C(C)CN(N)C=N;RWLDTDCNTIMVMW-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244797;MM244797;CC(C)C(C)CN(N)C=O;DVRIOHQVPYEEHG-UHFFFAOYSA-N;144.22;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244798;MM244798;CC(C)C(C)CN(O)C=N;CDBIJWZSVGZKHZ-UHFFFAOYSA-N;144.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244799;MM244799;CC(N)C(C)CN(C)C=O;GVLAQYLVYSCACB-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244800;MM244800;CC(N)C(C)CN(O)C=N;QWLQXLTXZFFUSN-UHFFFAOYSA-N;145.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244801;MM244801;CC(O)C(C)CN(C)C=N;DMPVMACNIYUJLA-UHFFFAOYSA-N;144.22;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244802;MM244802;CC(O)C(C)CN(C)C=O;ZPEKIBWKPHPXPD-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244803;MM244803;CC(O)C(C)CN(O)C=N;NRSNTNAOKQZDBA-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244804;MM244804;CC(CN(C)C=O)C(F)F;MAOXOZNKEXKXLY-UHFFFAOYSA-N;151.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244805;MM244805;CC(CN(O)C=N)C(F)F;MUMUKTFXUCTMJV-UHFFFAOYSA-N;152.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244806;MM244806;CC(CN(O)C=O)C(F)F;TYFXMPJKRNAWMD-UHFFFAOYSA-N;153.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244807;MM244807;CC(C)C(N)CN(C)C=O;MZKAUKKNIKIAIE-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244808;MM244808;CC(O)C(N)CN(C)C=O;LPTQORASUVLPTF-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244809;MM244809;CC(F)C(N)CN(C)C=N;MOKWXRISVRGXMT-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244810;MM244810;CC(C)C(O)CN(C)C=O;RLDLSCJWWBWPKW-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244811;MM244811;CC(N)C(O)CN(C)C=N;FWZCTRAUQFMXSB-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244812;MM244812;CC(N)C(O)CN(C)C=O;BCNNHDJEUDXVTC-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244813;MM244813;CC(O)C(O)CN(C)C=N;BYHGKAWKZKWZMY-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244814;MM244814;CC(O)C(O)CN(C)C=O;ZYXHPADMCIFTCN-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244815;MM244815;CC(O)C(O)CN(N)C=N;JXEXQUOHEGCJJN-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244816;MM244816;O=CCC=NOCCO;HGCRAANIVREVNV-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244817;MM244817;CC(C)C(F)CN(C)C=N;CDUFYSVZAMMYCM-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244818;MM244818;CC(C)C(F)CN(N)C=N;VDLVZQMHYGVGCO-UHFFFAOYSA-N;147.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244819;MM244819;CC(C)C(F)CN(N)C=O;CIEUUAXVWHVVOM-UHFFFAOYSA-N;148.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244820;MM244820;C=NN(C)CC(C)C(C)C;QKLTWLFFKZQQMR-UHFFFAOYSA-N;142.25;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244821;MM244821;C=NN(C)CC(N)C(C)O;XZYBGDBANMXMDR-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244822;MM244822;C=NN(C)CC(O)C(C)N;MVVBMCXOVCUJNI-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244823;MM244823;CC(C)(O)CN(N)C(N)=O;BHFGBIIRUYPBAR-UHFFFAOYSA-N;147.18;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244824;MM244824;CC(C)(F)C(F)C(=N)NO;NMLWICXUGNBYKG-UHFFFAOYSA-N;152.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244825;MM244825;C=NN(C)CC(F)C(C)C;GCWRRUKTWDSSAU-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244826;MM244826;CC(N)C(C)NN(C)C=N;MIEQBZKBYYSKRF-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244827;MM244827;CC(N)C(C)NN(C)C=O;CJXYFXCTLYCEAK-UHFFFAOYSA-N;145.21;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244828;MM244828;CC(F)C(C)NN(C)C=N;CISPICKSCKFGHV-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244829;MM244829;CC(C)C(C)ON(C)C=N;UFKWVXAKFDVHSP-UHFFFAOYSA-N;144.22;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244830;MM244830;CC(C)C(C)ON(C)C=O;JYQDJKBGBGBKTD-UHFFFAOYSA-N;145.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244831;MM244831;CC(O)C(C)ON(C)C=N;XLLCYCFOTHTBTN-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244832;MM244832;C=CC(C)CC(C)N(C)C;KAMDDJQCQFVUEJ-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244833;MM244833;CC(C=O)CC(C)N(C)C;USTSIXZKTUELQG-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244834;MM244834;CC(C#N)CC(C)N(C)C;QSMHQVHRBXQJBN-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244835;MM244835;C=CC(O)CC(C)N(C)C;XOFCAKBWNBSPML-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244836;MM244836;CC(CC(O)C=O)N(C)C;OJYCQVBJUUTISM-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244837;MM244837;C=CC(F)CC(C)N(C)C;SBNXLZSRTACNEG-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244838;MM244838;CC(CN(N)C=N)N(C)C;VYXBWQGDLGSRKB-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244839;MM244839;C=CC(C)CN(C)C(C)C;HGDKTJHPUSLSFE-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244840;MM244840;CC(C=O)CN(C)C(C)C;FTCQZCDRXWCXLP-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244841;MM244841;C=CC(O)CN(C)C(C)C;WHBCCHGHQXIPLE-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244842;MM244842;CC(C)N(C)CC(O)C=O;ITZOIPUBRFLTMW-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244843;MM244843;CC(C)N(C)CC(F)C#N;YWVDVRRHKIAOON-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244844;MM244844;C#CC(N)CC(C)C(C)C;LYDOBAMKGPQZRN-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244845;MM244845;C#CC(O)CC(C)C(C)C;UVGHKBQPZPDXCK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244846;MM244846;C#CC(F)CC(C)C(C)C;KJKRROWPZSCOTR-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244847;MM244847;C#CC(C)CC(C)C(C)N;SQOXQGWTBNIDAC-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244848;MM244848;CC(=NOC(C)(C)C)NO;JRCRWUQRIISHQL-UHFFFAOYSA-N;146.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244849;MM244849;C#CC(F)CC(C)C(C)F;PAQUTPVCZSDOGY-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244850;MM244850;C#CC(O)CC(C)C(F)F;CHEORUCISRYHPS-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244851;MM244851;C#CC(F)CC(C)C(F)F;PQWOMPOREIFBTE-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244852;MM244852;C#CC(C)CC(N)C(C)C;QTHXLVAYXYBVRX-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244853;MM244853;C#CC(F)CC(N)C(C)C;PVSSHJHZGMSZNZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244854;MM244854;C#CC(C)CC(N)C(C)N;CJYIFRITSCHMAX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244855;MM244855;C#CC(O)CC(N)C(C)N;WGFAFKBTFIJPCG-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244856;MM244856;C#CC(N)CC(N)C(C)O;SSYFZWGLVAVEGS-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244857;MM244857;C#CC(O)CC(N)C(C)O;WMSLEFMKPODXAR-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244858;MM244858;C#CC(C)CC(N)C(C)F;UKEODHWTGKVYEG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244859;MM244859;C#CC(N)CC(N)C(C)F;WDHAFTQJHCSDKG-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244860;MM244860;C#CC(O)CC(N)C(C)F;KFQCGKMXBQYQLJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244861;MM244861;CC(C)C(C)(F)C(=N)NO;ONFHQTNTXFDXDW-UHFFFAOYSA-N;148.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244862;MM244862;C#CC(F)CC(O)C(C)C;JABHZTWACWFYTQ-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244863;MM244863;C#CC(N)CC(O)C(C)N;KOXDOCXEXOKYEI-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244864;MM244864;C#CC(C)CC(O)C(C)O;CGWYQDWJDLPHRW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244865;MM244865;C#CC(N)CC(O)C(C)O;FMYYKWCAZBTTBN-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244866;MM244866;C#CC(O)CC(O)C(C)O;RIHWBHJQDCESOG-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244867;MM244867;C#CC(F)CC(O)C(C)O;IJKDQBGSEIWAKV-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244868;MM244868;C#CC(O)CC(O)C(C)F;KSUKOSQCVZFTOU-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244869;MM244869;C#CC(C)CC(F)C(C)C;VPAAQHBQAMEWSB-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244870;MM244870;C#CC(N)CC(F)C(C)C;BJJPPEOFUDKGCB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244871;MM244871;C#CC(F)CC(F)C(C)C;MGKLLDUOMMHLOE-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244872;MM244872;C#CC(C)CC(F)C(C)N;BMUQHQLXGDLHTF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244873;MM244873;C#CC(F)CC(F)C(C)N;CAVFDRFHFQQQPT-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244874;MM244874;C#CC(C)CC(F)C(C)F;UPSRVOBBDOOLBK-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244875;MM244875;C#CC(C)CC(F)C(F)F;CLWHJYGCVBNMDQ-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244876;MM244876;C#CC(C)NC(C)C(C)C;OPEHKYODIJMXGI-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244877;MM244877;C#CC(C)CC(C)N(C)C;LTOMANSMUBMZOD-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244878;MM244878;C#CC(F)CC(C)N(C)C;OMOILNCFOMYEJR-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244879;MM244879;C#CC(C)CN(C)C(C)C;YKIHJAPKRSRGKM-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244880;MM244880;C#CC(O)CN(C)C(C)C;SBCQAFKWBGUUDC-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244881;MM244881;C=C(CC)CC(C)C(C)C;IHONMBWYRCUQHU-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244882;MM244882;C=C(CO)CC(C)C(C)C;BPOQNMLNCNAGOT-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244883;MM244883;C=C(CF)CC(C)C(C)C;FGABRUCZEXAZOC-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244884;MM244884;CCC(=O)CC(C)C(C)C;IULVTIDWSYWBCM-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244885;MM244885;CC(C)C(C)CC(=O)CO;AJWKJWCUZSTKDR-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244886;MM244886;CC(C)C(C)CC(=O)CF;YXIMRAFIQAMOON-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244887;MM244887;C=C(CC)CC(C)C(C)N;MKOBTRRJYPAGAM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244888;MM244888;C=C(CO)CC(C)C(C)N;AESISFUMZJCJDQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244889;MM244889;C=C(C)C(C)(F)C(=N)NO;MASOXYPJGFJILU-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244890;MM244890;C=C(C)CN(O)C=NNC;SVZIUSPAQGQOMJ-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244891;MM244891;CCC(=O)CC(C)C(C)O;VZPXZAOPDGPOMM-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244892;MM244892;CC(O)C(C)CC(=O)CO;JBKUQWGOILNNKV-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244893;MM244893;C=C(CC)CC(C)C(F)F;VFSCTUVSIDZDNN-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244894;MM244894;C=C(CN)CC(C)C(F)F;ZVLGLRPGWSMHJW-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244895;MM244895;C=C(CO)CC(C)C(F)F;TYYYYYRACAPBKF-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244896;MM244896;C=C(CF)CC(C)C(F)F;YBYQUTSMMYOROZ-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244897;MM244897;CC(CC(=O)CO)C(F)F;VANAUIQUFXAPKX-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244898;MM244898;C=C(CC)CC(N)C(C)C;SFUMUBCKKLYHRA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244899;MM244899;C=C(CO)CC(N)C(C)C;BYVKPGVQPPDBEV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244900;MM244900;C=C(CF)CC(N)C(C)C;SGYONDSKVUKXNV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244901;MM244901;C=C(CN)CC(N)C(C)N;WLPGJOFEAHSAPX-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244902;MM244902;C=C(CO)CC(N)C(C)N;FLNNVXWQIWDEQO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244903;MM244903;C=C(CC)CC(N)C(C)F;WNKUNOSTGMWUFO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244904;MM244904;C=C(CF)CC(N)C(C)F;VYUJWIYAXLEVTN-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244905;MM244905;C=C(CN)CC(N)C(F)F;GFHUTYHQHDLUFC-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244906;MM244906;C#CC(F)(F)C(CO)NC;OJEUXMAHJFWLML-UHFFFAOYSA-N;149.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244907;MM244907;C=C(CO)CC(O)C(C)C;ZFQQZHPYOJOHIN-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244908;MM244908;C=C(CF)CC(O)C(C)C;WTVDMTFDXDUQTH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244909;MM244909;CCC(=O)CC(O)C(C)C;ZKYXIJKEPDWBLH-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244910;MM244910;CC(C)C(O)CC(=O)CO;OJEMAEQWPFYRAX-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244911;MM244911;C=C(CC)CC(O)C(C)O;RXQYMBCPRCGOBA-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244912;MM244912;C=C(CF)CC(O)C(C)O;OTHINTPUNBQVJQ-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244913;MM244913;CC(O)C(O)CC(=O)CO;JBFPUJIRZOCCCM-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244914;MM244914;CC(O)C(O)CC(=O)CF;BIWDDGPQKCREOO-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244915;MM244915;CCC(=O)CC(O)C(C)F;KWUOFJVDKVLIHB-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244916;MM244916;CC(F)C(O)CC(=O)CF;DGAYCVZPRIGEFV-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244917;MM244917;O=C(CO)CC(O)C(F)F;FKVFAJRAMHAJEM-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244918;MM244918;C=C(CC)CC(F)C(C)C;CTMZEGSOKUHHPI-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244919;MM244919;C=C(CN)CC(F)C(C)C;ORVAHZYOJVHECW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244920;MM244920;C=C(CO)CC(F)C(C)C;GNLKNXJSUGVGFS-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244921;MM244921;C=C(CF)CC(F)C(C)C;MZXXGWFCGNOOPY-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244922;MM244922;CCC(=O)CC(F)C(C)C;TXMKZBGUOYQXRW-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244923;MM244923;C=C(CC)CC(F)C(C)N;ZIDSABHXJYGERK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244924;MM244924;CC(O)C(F)CC(=O)CF;JRKPRZVDQIEHEZ-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244925;MM244925;C=C(CC)CC(F)C(C)F;LBURMCXHPCUOCS-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244926;MM244926;C=C(CN)CC(F)C(C)F;MOXJWFXMDAMKKK-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244927;MM244927;C=C(CO)CC(F)C(C)F;AALMMHNHMAFHNI-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244928;MM244928;C=C(CC)CC(F)C(F)F;BXPLGQNFCOJYDY-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244929;MM244929;C=C(CN)CC(F)C(F)F;AUWGQSSPRFCSSM-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244930;MM244930;C=C(CO)CC(F)C(F)F;YUUKGEXWJTZMGN-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244931;MM244931;CNC(=N)CC(C)C(C)C;DHQVJBGUCXFBDW-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244932;MM244932;CC(C)C(C)CC(=N)NN;KVKMRGPPEBNGKJ-UHFFFAOYSA-N;143.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244933;MM244933;CC(C)C(C)CC(=N)NO;NHXKADGSZOWMDM-UHFFFAOYSA-N;144.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244934;MM244934;CC(F)=CCN(O)C=NN;UKFKAUAPPSDOLA-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244935;MM244935;CC(O)C(C)CC(=N)NN;UCPNYWUJKXYKAI-UHFFFAOYSA-N;145.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244936;MM244936;CC(O)C(C)CC(=N)NO;HELJOOQCPCAGMO-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244937;MM244937;CC(F)C(C)CC(=N)NN;DJLVPLDKDYNJAJ-UHFFFAOYSA-N;147.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244938;MM244938;CC(F)C(C)CC(=N)NO;LDHPCBTVKCAHNC-UHFFFAOYSA-N;148.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244939;MM244939;CNC(=O)CC(C)C(C)F;IXTINSVRXRHUMY-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244940;MM244940;CNC(=N)CC(C)C(F)F;NCXPZNUNCYEGTF-UHFFFAOYSA-N;150.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244941;MM244941;CC(CC(=N)NN)C(F)F;DLZWZNUHKGLVKF-UHFFFAOYSA-N;151.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244942;MM244942;CC(CC(=N)NO)C(F)F;LXSOOYNRKVGTEZ-UHFFFAOYSA-N;152.14;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244943;MM244943;CNC(=O)CC(C)C(F)F;SPBTXHWWMFHSTR-UHFFFAOYSA-N;151.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244944;MM244944;CC(C(=N)N(C)O)=C(F)F;YNXPSVYFILDIJM-UHFFFAOYSA-N;150.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244945;MM244945;CNC(=N)CC(N)C(C)N;JWADNMLVHWDXEF-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244946;MM244946;CNC(=O)CC(N)C(C)N;COSATDGMXRGSKJ-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244947;MM244947;CC(F)C(N)CC(=N)NO;YUXLRNANWCAHNN-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244948;MM244948;CC(C)C(O)CC(=N)NN;HAJVEZTYIHIKJA-UHFFFAOYSA-N;145.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244949;MM244949;CC(C)C(O)CC(=N)NO;DZLGQOLHCQUKOY-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244950;MM244950;CC(C)C(O)CC(=O)NO;NVPGNCHVNSFLKL-UHFFFAOYSA-N;147.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244951;MM244951;CNC(=N)CC(O)C(C)N;GZKNTOZAFSVTTP-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244952;MM244952;CNC(=O)CC(O)C(C)N;QIXLPVMGNGVGNA-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244953;MM244953;CC(O)C(O)CC(=N)NN;FXEUQSMXQOHSGK-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244954;MM244954;CC(O)C(O)CC(=N)NO;RQGYNXSXKLLSNT-UHFFFAOYSA-N;148.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244955;MM244955;CC(F)CNC(=O)N(C)N;DRPMVMKWXYSTOF-UHFFFAOYSA-N;149.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244956;MM244956;CNC(=N)CC(O)C(C)F;QHDGRRLQEMVFLY-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244957;MM244957;N=C(CC(O)C(F)F)NN;LNNDIZVPRJBIAZ-UHFFFAOYSA-N;153.13;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244958;MM244958;N=C(CC(O)C(F)F)NO;ZSSAYVCRWAXDJP-UHFFFAOYSA-N;154.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244959;MM244959;NNC(=O)CC(O)C(F)F;FELFSYFYRFPXLY-UHFFFAOYSA-N;154.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244960;MM244960;CNC(=N)CC(F)C(C)C;YQAXAWZXYOADFX-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244961;MM244961;CC(C)C(F)CC(=N)NN;LSJYDNJWFSQWQE-UHFFFAOYSA-N;147.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244962;MM244962;CNC(=O)CC(F)C(C)C;IFIIVISLMUUQBE-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244963;MM244963;C=NN1CC(C)(C(C)O)C1;JGIUFOAYVYWTQJ-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244964;MM244964;COC(=O)CC(C)C(C)C;CBWIMEHUUHLBJB-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244965;MM244965;C=C(CC(C)C(C)N)OC;UPWLIWFTXUYJEO-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244966;MM244966;COC(=O)CC(C)C(C)N;CHKDDMUBGLHJJQ-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244967;MM244967;COC(=O)CC(C)C(C)O;LBRGGUAIZNMPSC-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244968;MM244968;C=C(CC(N)C(C)C)OC;CIDRBEHNWTYTAI-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244969;MM244969;COC(=O)CC(N)C(C)C;VSYRRAKUNWIGRY-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244970;MM244970;C=C(CC(N)C(C)N)OC;PGKWEFYTEGGENY-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244971;MM244971;C=C(CC(N)C(C)F)OC;AOZWHWVIBMXKBY-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244972;MM244972;C=C(CC(O)C(C)C)OC;SCANHCHMPBSYTI-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244973;MM244973;COC(=O)CC(O)C(C)C;HIUDWDUEXPJHRR-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244974;MM244974;COC(=O)CC(O)C(C)O;DJGQLTOCYAKSQG-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244975;MM244975;C=C(CC(O)C(F)F)OC;RBPONUXSDUGIDW-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244976;MM244976;C=C(CC(F)C(C)C)OC;UFTJWOBZLCRLRM-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244977;MM244977;C=C(CC(F)C(C)N)OC;NTARIXBTXDXKSW-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244978;MM244978;C=C(CC(F)C(F)F)OC;XSTMEBALUHESMG-UHFFFAOYSA-N;154.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244979;MM244979;COC(=O)CC(F)C(F)F;LUJAAQVVHBTNMC-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244980;MM244980;CCC(=N)NC(C)C(C)C;KJNUBJHAEBIQQW-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244981;MM244981;CC(=NOCC(C)F)NO;PUDMQIXSPHQCDM-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244982;MM244982;CC(N)C(C)NC(=N)CO;SYLYQQUQVJFPHX-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244983;MM244983;CCC(=O)NC(C)C(C)N;SNGCVHVTUMNPGI-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244984;MM244984;CCC(=O)NC(C)C(C)O;SCTDHRHNGVIECF-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244985;MM244985;CCC(=N)NC(C)C(C)F;IHTWBXGLDCWPKM-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244986;MM244986;CC(F)C(C)NC(=O)CO;UGXIZRUKVKILNC-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244987;MM244987;CNC(=N)NC(C)C(C)C;DFOICLVPZUNOJQ-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244988;MM244988;CNC(=N)NC(C)C(C)N;YAZQWJUYZHNUSH-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244989;MM244989;CC(N)C(C)NC(=N)NO;YNLYWFWGQAMWQO-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244990;MM244990;CNC(=O)NC(C)C(C)N;OVJHPFAVKDICNF-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244991;MM244991;CC(=NOCC(F)F)NO;WYKAEERLCRZRRP-UHFFFAOYSA-N;154.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244992;MM244992;C=C(C)CON=C(C)NO;ZBHHOQKRBQFHBY-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244993;MM244993;C=C(F)CON=C(C)NO;XERMLIGZJBVSGE-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244994;MM244994;CC(NC(=O)NO)C(F)F;JIXNGBZRSFISAJ-UHFFFAOYSA-N;154.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244995;MM244995;COC(=N)NC(C)C(C)N;IRHXQVXHGONYCZ-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244996;MM244996;COC(=O)NC(C)C(C)N;TZTLUCYQHVKFNQ-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244997;MM244997;COC(=O)NC(C)C(C)O;ORVYPIPXACDBMU-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244998;MM244998;COC(=O)NC(C)C(F)F;QSSLXANRWYDMKB-UHFFFAOYSA-N;153.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM244999;MM244999;C=C(CC)OC(C)C(C)C;AOLPTBQBHJFPTP-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245000;MM245000;C=C(CN)OC(C)C(C)C;VUJRJFIHKPIWIB-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245001;MM245001;CCC(=O)OC(C)C(C)C;RYYMZRUXQWULCT-UHFFFAOYSA-N;144.21;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245002;MM245002;CC(C)C(C)OC(=O)CF;CUJKFWKIBYWHDE-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245003;MM245003;C=C(CO)OC(C)C(C)N;ZXNBQKKKVLCUJH-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245004;MM245004;CC(N)C(C)OC(=O)CN;AVFIGWKCLVXSQE-UHFFFAOYSA-N;146.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245005;MM245005;CC(N)C(C)OC(=O)CO;ILNLCEVRQPRQLJ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245006;MM245006;C=C(CC)OC(C)C(C)O;HPWITAZGVGNZJQ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245007;MM245007;C=C(CN)OC(C)C(C)O;AOXXLIHGNHUCMI-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245008;MM245008;CC(O)C(C)OC(=O)CO;VDKLFTIULWVBSI-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245009;MM245009;CC(F)C(C)OC(=O)CF;HHIVDPHZTBBXMT-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245010;MM245010;CNC(=N)OC(C)C(C)C;XMDMNIHHAQGFRH-UHFFFAOYSA-N;144.22;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245011;MM245011;CN=CN(O)CC(=O)OC;OJXNFSYMWRHDJM-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245012;MM245012;CC(C)C(C)OC(=O)NO;ARMYCIDGSOLCPV-UHFFFAOYSA-N;147.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245013;MM245013;CNC(=O)OC(C)C(C)O;HUZDJPIICAVWQJ-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245014;MM245014;COC(=O)OC(C)C(C)F;ZOILEESPYRIEOJ-UHFFFAOYSA-N;150.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245015;MM245015;COC(=O)OC(C)C(F)F;FEWQWYOSIWKLPB-UHFFFAOYSA-N;154.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245016;MM245016;C=C(CC)CC(C)N(C)C;NWXWWRPAMRVNIF-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245017;MM245017;C=C(CO)CC(C)N(C)C;VJCKWRYMMCOGOH-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245018;MM245018;CCC(=O)CC(C)N(C)C;LEANMJLNJNZDIH-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245019;MM245019;CC(CC(=O)CF)N(C)C;TWPCFHRLOOQJIS-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245020;MM245020;C=C(CC(C)N(C)C)OC;WVGBQDKGBWRHQL-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245021;MM245021;COC(=O)CC(C)N(C)C;KQYAKXSGEDRRKF-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245022;MM245022;C=C(CC)CN(C)C(C)C;JEJYVWSUPIZRTN-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245023;MM245023;C=C(CO)CN(C)C(C)C;OIXYVDPZXDVXKF-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245024;MM245024;CNC(=N)CN(C)C(C)C;YFYVJAZGXSXJTP-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245025;MM245025;CC(C)N(C)CC(=N)NN;ILONOOUENSIWEL-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245026;MM245026;CC(C)N(C)CC(=N)NO;VYDNPVHITXIVOU-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245027;MM245027;C=C(CN(C)C(C)C)OC;JULIHBURERXZNP-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245028;MM245028;CC(C)N(C)NC(=N)CN;FSTUFTSUSGZPGR-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245029;MM245029;CC(C)N(C)NC(=O)NO;FYFDSNUMEJCADJ-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245030;MM245030;COC(=O)NN(C)C(C)C;OQYUGSGJBMMRIG-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245031;MM245031;C=CC(=C)CC(C)C(C)C;DWHJQVNEMRIUGB-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245032;MM245032;C=C(C=O)CC(C)C(C)C;UDNWPUFOXMIODP-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245033;MM245033;C=C(C#N)CC(C)C(C)C;DGWGWKWZKPYKQV-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245034;MM245034;C=CC(=O)CC(C)C(C)C;KWIMKFFQWVJDDE-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245035;MM245035;CC(C)C(C)CC(=O)C=O;MDFMBGADRYHABL-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245036;MM245036;CC(C)C(C)CC(=O)C#N;AKLHBQHEKMPDRE-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245037;MM245037;C=CC(=C)CC(C)C(C)N;DGZHGPMLBLOZJG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245038;MM245038;C=CC(=C)CN(O)C=NN;DXOJLJQZEDUQFZ-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245039;MM245039;CC(=CF)CN(O)C=NN;UBZSDSVDJXHARS-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245040;MM245040;C=C(CO)NC(C)=NOC;LDCBDVFOYAMFAK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245041;MM245041;C=CC(=O)CC(C)C(C)O;PXXNOSCANMLRIE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245042;MM245042;CC(F)C(C)CC(=O)C#N;FATSQLDMYYLGDF-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245043;MM245043;C=CC(=C)CC(C)C(F)F;UYQSKXRGURZETP-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245044;MM245044;C=C(C=O)CC(C)C(F)F;BIIOHRAKIFVBSS-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245045;MM245045;C=CC(=O)CC(C)C(F)F;YJQOAAOZHYRHEG-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245046;MM245046;CC(CC(=O)C=O)C(F)F;BNPCFHHBROMMBG-UHFFFAOYSA-N;150.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245047;MM245047;CC(CC(=O)C#N)C(F)F;PKLJSGGVFFVDEL-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245048;MM245048;C=CC(=C)CC(N)C(C)C;USEPIRBJBCNHOM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245049;MM245049;C=CC(=C)CC(N)C(C)F;KHYCZYIMRTZKMV-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245050;MM245050;CC(F)=CC(F)C(=N)NO;IUVCGQUQXNAPLF-UHFFFAOYSA-N;150.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245051;MM245051;C=C(C=O)CC(O)C(C)C;KERROCKXAZUZBN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245052;MM245052;C=C(C#N)CC(O)C(C)C;VWLDNVIXDMQJMV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245053;MM245053;C=CC(=C)CC(O)C(C)O;RCGFIOHNGNJTNX-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245054;MM245054;CC(O)C(O)CC(=O)C=O;QDCYNVWKBIIHQH-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245055;MM245055;CC(F)C(O)CC(=O)C#N;XDZHJFIDKUKAKJ-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245056;MM245056;N#CC(=O)CC(O)C(F)F;DAHXJGFHJAPKES-UHFFFAOYSA-N;149.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245057;MM245057;C=CC(=C)CC(F)C(C)C;RIWQQRFZYPTXDV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245058;MM245058;C=C(C=O)CC(F)C(C)C;WKJGQTVXJLKEHG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245059;MM245059;C=C(C#N)CC(F)C(C)C;WWPQLKVVOMLWHN-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245060;MM245060;C=CC(=O)CC(F)C(C)C;UVIKIUVXPZIOJZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245061;MM245061;CC(C)C(F)CC(=O)C=O;TVNQXEOPPAHSMT-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245062;MM245062;CC(C)C(F)CC(=O)C#N;NVFPADMOTJVXBV-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245063;MM245063;CC(O)C(F)CC(=O)C#N;AQOWECMGAJMLRJ-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245064;MM245064;C=CC(=C)CC(F)C(C)F;SFBSKHFXPTVUEO-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245065;MM245065;C=C(C=O)CC(F)C(C)F;UKQVUYKJHZMQBJ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245066;MM245066;C=CC(=O)CC(F)C(C)F;DZSKTXSTPZRGLG-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245067;MM245067;CC(F)C(F)CC(=O)C#N;MGTMKPAEJOHMRH-UHFFFAOYSA-N;147.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245068;MM245068;C=CC(=C)CC(F)C(F)F;HKTDVXYOEPYAQA-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245069;MM245069;C=CC(=N)NC(C)C(C)C;VAASOBBHTRKGOB-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245070;MM245070;CNN=C(CN(C)C)NO;BFKBAHVRFPMIKW-UHFFFAOYSA-N;146.19;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245071;MM245071;CC(C)C(C)NC(=O)C#N;LVHARNWJZQOPEN-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245072;MM245072;CN(C)N=C(CC=O)NO;LAUYLGWOPYDXJT-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245073;MM245073;CC=CC(O)CCC=NN;YVBLGTOEMOWWOZ-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245074;MM245074;C=CC(=C)OC(C)C(C)C;PMJNWZPKSFJYAE-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245075;MM245075;C=CC(=O)OC(C)C(C)C;ZXAQTAATIKIDSW-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245076;MM245076;CC(C)C(C)OC(=O)C=O;ICIRQFCKEWCYGT-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245077;MM245077;CC(C)C(C)OC(=O)C#N;CPXWVOOKGIQPSS-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245078;MM245078;C=CC(=O)OC(C)C(C)N;ZEEGERZJACXIJI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245079;MM245079;C=C(C#N)OC(C)C(C)O;OOJWRHWNYOMILU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245080;MM245080;CC(O)C(C)OC(=O)C#N;RISSIAIRESVBKC-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245081;MM245081;C=CC(=C)CC(C)N(C)C;YACUDPRCNHIMCB-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245082;MM245082;C=C(C=O)CC(C)N(C)C;QOLZZNULCHOGAV-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245083;MM245083;C=C(C#N)CC(C)N(C)C;UPUIMPILMIMUBT-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245084;MM245084;C=CC(=O)CC(C)N(C)C;RQTXBERYLXBQRL-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245085;MM245085;C=CC(=C)CN(C)C(C)C;KEFFWCSPXJHAQU-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245086;MM245086;C=C(C=O)CN(C)C(C)C;JXUBVRMBRPYCLI-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245087;MM245087;CC(CCO)NN=CCO;DZHDAQBMKBJBDV-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245088;MM245088;C#CC(=C)CC(C)C(C)C;LZCMTFDTARHKKA-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245089;MM245089;C#CC(=O)CC(C)C(C)C;FPIIWDIHFSUOFN-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245090;MM245090;C#CC(=C)CC(C)C(C)N;PJRVJCONGIGNPK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245091;MM245091;COC=CCN(O)C=NN;FZZGAOYXIIDJFD-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245092;MM245092;C#CC(=O)CC(C)C(C)O;VLQMPKVADRURPF-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245093;MM245093;C#CC(=C)CC(C)C(C)F;MAGJCTBXYXCYAD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245094;MM245094;C#CC(=O)CC(C)C(C)F;YEFPBGKXOAIQEE-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245095;MM245095;C#CC(=O)CC(C)C(F)F;VWFVSMLWVAVBBW-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245096;MM245096;C#CC(=C)CC(N)C(C)C;WENOVASMQRRXFB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245097;MM245097;C#CC(=C)CC(N)C(C)O;JPFFMGCZQWFBCM-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245098;MM245098;C#CC(=C)CC(N)C(C)F;ZLDYUALAWPPDHW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245099;MM245099;CNN=CCN(O)C=NN;QMCXVKHYIFJCME-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245100;MM245100;C#CC(=C)CC(O)C(C)N;YOVLKMHXRQRBOI-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245101;MM245101;C#CC(=O)CC(O)C(C)O;FWMUFLZEGQVZIC-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245102;MM245102;C#CC(=O)CC(F)C(C)C;VKRQZLCIHBFXEU-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245103;MM245103;C#CC(=O)CC(F)C(C)F;LLILQTYTNUNJJE-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245104;MM245104;C#CC(=N)NC(C)C(C)C;QLGVAVHLFWATEN-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245105;MM245105;C#CC(=O)NC(C)C(C)N;KCGNOYVTSWYQNB-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245106;MM245106;C#CC(=N)NC(C)C(C)O;VDLFFIBOCDCPCV-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245107;MM245107;C#CC(=O)NC(C)C(C)O;WRXSCAVDNFHGOQ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245108;MM245108;C#CC(=O)NC(C)C(F)F;ALJJQPQSBSRFFV-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245109;MM245109;C#CC(=C)OC(C)C(C)C;XKGTWZHMPLVDLJ-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245110;MM245110;C#CC(=O)OC(C)C(C)C;ALXKESDAFIHNHG-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245111;MM245111;C#CC(=C)OC(C)C(C)N;XGPZDXVYHQLFLI-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245112;MM245112;C#CC(=C)CC(C)N(C)C;MNXLHFLSWDSLKH-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245113;MM245113;C#CC(=C)CN(C)C(C)C;SDVKYUVTFXFNJC-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245114;MM245114;C=C(C)C(C)CC(C)CC;BJQYPTOCHJAYSM-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245115;MM245115;C=C(C)C(C)CC(C)CN;YZODHGFTUZJOMO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245116;MM245116;C=C(C)C(C)CC(C)CF;KQZDCDRAIIFXDT-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245117;MM245117;C=C(C)C(C)CC(N)CC;NPCFBGJXCGEUNQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245118;MM245118;C=C(C)C(C)CC(N)CN;MKSMKCMBHSFNMC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245119;MM245119;C=C(C)C(C)CC(N)CO;NJERRUXYVKYMKJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245120;MM245120;C=C(C)C(C)CC(N)CF;TYZIJZWOSMTVPB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245121;MM245121;C#CCN=CN(O)CCC;OHYLCXQXBNAARP-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245122;MM245122;C=C(C)C(C)CC(O)CO;UPUORXFAPLZWJM-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245123;MM245123;C=C(C)C(C)CC(O)CF;BNMXGBKWYXZKQI-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245124;MM245124;C=C(C)C(C)CC(F)CC;ZUQALRGIMIPLAC-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245125;MM245125;C=C(C)C(C)CC(F)CN;ICZPKVFOULUKQO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245126;MM245126;C=C(C)C(C)CC(F)CF;IEGSYHBCCJNPPS-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245127;MM245127;CCC(C)CC(C)C(C)=O;OMHNBLSGUXNATQ-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245128;MM245128;CC(=O)C(C)CC(C)CF;ZVEOGTNAZFZCIO-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245129;MM245129;CCC(O)CC(C)C(C)=O;UGEBUVLNVNNGTQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245130;MM245130;CCC(F)CC(C)C(C)=O;JJVCPDHZJYUMLH-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245131;MM245131;CC(=O)C(C)CC(F)CF;KHQNXUJABDNRHQ-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245132;MM245132;CCC(C)CC(C)C(=N)N;WFYSQFHYFZZTIM-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245133;MM245133;CC(CF)CC(C)C(=N)N;UBVSTQDWBGNQMM-UHFFFAOYSA-N;146.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245134;MM245134;CC(CC(N)CF)C(=N)N;JCDFVPZDTLHGAH-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245135;MM245135;CC(CC(O)CO)C(=N)N;ATQJKZQQASGFGI-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245136;MM245136;CCC(F)CC(C)C(=N)N;GCLIBXBIHSWFLD-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245137;MM245137;CC(CC(F)CN)C(=N)N;DUHRIHIAECYUIL-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245138;MM245138;CCCN(O)C=NC=NC;HBTOSHVYEIHPKW-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245139;MM245139;CC(CN)CC(C)C(N)=O;XFCOMTVRSBWXNK-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245140;MM245140;CN(O)C(=N)C(C=O)=CF;BEBHSABUIXLGNG-UHFFFAOYSA-N;146.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245141;MM245141;CC(CC(N)CO)C(N)=O;FLAHOJZWOBYVLH-UHFFFAOYSA-N;146.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245142;MM245142;CCC(O)CC(C)C(N)=O;VVTGGNPYPQZKBW-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245143;MM245143;CC(CC(O)CN)C(N)=O;LKYQCDSKPOJVAN-UHFFFAOYSA-N;146.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245144;MM245144;CCC(C)CC(C)C(=O)O;GMWSHXONQKXRHS-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245145;MM245145;O=c1occ(O)n(O)c1=O;ZYXVLLKWVPDGNQ-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245146;MM245146;O=c1occ(O)n1O;HXYKGPJAZLTDII-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245147;MM245147;N#Cc1[nH]c(=O)n(O)c1O;FBBGHWOGGOTCSV-UHFFFAOYSA-N;141.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245148;MM245148;CC#Cc1c[nH]n(O)c1=O;FQHSRLUSYHEKIF-UHFFFAOYSA-N;138.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245149;MM245149;CC(CC(F)CF)C(=O)O;IAMNHHBDQOCQPL-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245150;MM245150;C=C(F)C(C)CC(C)CN;HFWBWQMTWPNGKL-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245151;MM245151;C=C(F)C(C)CC(C)CF;PCZYOLJULFXFRF-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245152;MM245152;C=C(F)C(C)CC(N)CC;RAEFYMLRBFCRFQ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245153;MM245153;C=C(F)C(C)CC(O)CF;PXORNMVEJZFHFJ-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245154;MM245154;C=C(F)C(C)CC(F)CO;OWVHGTLECBWXSE-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245155;MM245155;C=C(C)C(N)CC(C)CC;GTXLGYPQPVSJKN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245156;MM245156;C=C(C)C(N)CC(C)CN;YGYHJDOSHLWOQK-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245157;MM245157;C=C(C)C(N)CC(C)CO;BDANYIVIORSPCI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245158;MM245158;C=C(C)C(N)CC(C)CF;YMRCMNGNSPFSDW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245159;MM245159;C=C(C)C(N)CC(N)CN;OHBNEXWHTHDBEL-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245160;MM245160;C=C(C)C(N)CC(N)CO;ZISYYBNDNZPKER-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245161;MM245161;C=C(C)C(N)CC(O)CC;GXJADSDGPWSUBV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245162;MM245162;C=C(C)C(N)CC(O)CN;RJIUWAXCHDTKKM-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245163;MM245163;C=C(C)C(N)CC(O)CO;GKRPNLXRKBHEMK-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245164;MM245164;C=C(C)C(N)CC(F)CC;XMFUDRXQVXWRBC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245165;MM245165;C=C(C)C(N)CC(F)CN;BAGFMMANHAZBGT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245166;MM245166;C=C(C)C(N)CC(F)CO;LZSRMXIONGMZAW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245167;MM245167;CCC(N)CC(N)C(=N)N;UMYKZKINZXRNEG-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245168;MM245168;N=C(N)C(N)CC(N)CN;ARBYTYKMRNFOEW-UHFFFAOYSA-N;145.21;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245169;MM245169;N=C(N)C(N)CC(N)CO;BKRPALLZDSDKAT-UHFFFAOYSA-N;146.19;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245170;MM245170;N=C(N)C(N)CC(N)CF;OLXYKKJGMQJVON-UHFFFAOYSA-N;148.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245171;MM245171;CCC(O)CC(N)C(=N)N;KTJBIMHMNVOESJ-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245172;MM245172;N=C(N)C(N)CC(O)CO;GYBDWSJHNNFMHM-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245173;MM245173;N=C(N)C(N)CC(F)CO;FQWQEBGZLQMEFD-UHFFFAOYSA-N;149.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245174;MM245174;C=C(F)C(N)CC(C)CF;SLKXPXCFLRGTOL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245175;MM245175;C=C(F)C(N)CC(N)CF;MDXYFANAOXOGEA-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245176;MM245176;C=C(F)C(N)CC(F)CN;OIQDQQUAXVKODY-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245177;MM245177;C=C(C)C(O)CC(C)CO;YUXIQODUFPLQNY-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245178;MM245178;C=C(C)C(O)CC(N)CC;IZFMWYSQHYERME-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245179;MM245179;C=C(C)C(O)CC(N)CN;YBEOXIIGMILIBF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245180;MM245180;C=C(C)C(O)CC(O)CC;IGXAEJDVNPNYSE-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245181;MM245181;C=C(C)C(O)CC(O)CO;RCRCZXVYPYUSRS-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245182;MM245182;C=C(C)C(O)CC(F)CC;ACIPYIFDHRYXEJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245183;MM245183;CCC(O)CC(O)C(C)=O;NPFGISWRVYDDNG-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245184;MM245184;CC(=O)C(O)CC(F)CF;YIWPQWGDQSIKAV-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245185;MM245185;N=C(N)C(O)CC(N)CN;LRHUHPVZDXGICJ-UHFFFAOYSA-N;146.19;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245186;MM245186;N=C(N)C(O)CC(N)CO;DHQLBBASFOXSIE-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245187;MM245187;N=C(N)C(O)CC(N)CF;CZKFOIOWVSTLSD-UHFFFAOYSA-N;149.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245188;MM245188;CCC(O)CC(O)C(=N)N;ODWYQZGMGJOZPL-UHFFFAOYSA-N;146.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245189;MM245189;N=C(N)C(O)CC(O)CN;SYCHABNHZJXDHR-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245190;MM245190;N=C(N)C(O)CC(O)CO;QAQOMAAWMVCTTD-UHFFFAOYSA-N;148.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245191;MM245191;N=C(N)C(O)CC(O)CF;RYPRBNVSRRUKAA-UHFFFAOYSA-N;150.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245192;MM245192;N=C(N)C(O)CC(F)CN;KYRCKJZBPAOXQQ-UHFFFAOYSA-N;149.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245193;MM245193;N=C(N)C(O)CC(F)CO;SFVWKMCDATWFLS-UHFFFAOYSA-N;150.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245194;MM245194;NCC(O)CC(O)C(N)=O;AELRQVTYYZQGFA-UHFFFAOYSA-N;148.16;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245195;MM245195;C=COc1oc(=O)oc1O;FVNLJJARZHPHSJ-UHFFFAOYSA-N;144.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245196;MM245196;C=C(F)C(O)CC(N)CF;QWTOGSTVEIIERA-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245197;MM245197;C=C(F)C(O)CC(O)CO;IBOHCZILCFNZAF-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245198;MM245198;C=C(F)C(O)CC(F)CN;NHUUEHQOBLLFKL-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245199;MM245199;C=C(F)C(O)CC(F)CF;KLMKBLLZRMTGJW-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245200;MM245200;C=C(C)C(F)CC(C)CO;LGYBYVLRKFFSTB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245201;MM245201;C=C(C)C(F)CC(C)CF;ARTWDIGEWPRDGF-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245202;MM245202;C=C(C)C(F)CC(N)CC;OXANYGZJPFZSBN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245203;MM245203;C=C(C)C(F)CC(O)CC;WFVDKLCQTVYHCO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245204;MM245204;C=C(C)C(F)CC(F)CC;JWEYPXIBMCYXET-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245205;MM245205;C=C(C)C(F)CC(F)CF;SSIKASXBOVWBJV-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245206;MM245206;CCC(C)CC(F)C(C)=O;XHYCLDNLIODHDI-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245207;MM245207;CCC(O)CC(F)C(C)=O;URGUJCOEJSJBMN-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245208;MM245208;CC(=O)C(F)CC(O)CF;NSIMVNXOCSMKHI-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245209;MM245209;CCC(F)CC(F)C(C)=O;GPRUNQJTIZFRGK-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245210;MM245210;CC(=O)C(F)CC(F)CF;GDGFPWKNEFKJTG-UHFFFAOYSA-N;154.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245211;MM245211;CCC(C)CC(F)C(=N)N;ATDGICKBPQNHKR-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245212;MM245212;CC(CN)CC(F)C(=N)N;FWYSQEUSCGBWOA-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245213;MM245213;CC(CF)CC(F)C(=N)N;QPCPKPDPCJUVPT-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245214;MM245214;N=C(N)C(F)CC(N)CN;IOKSROWZWREDLH-UHFFFAOYSA-N;148.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245215;MM245215;N=C(N)C(F)CC(N)CF;OTRIUDSNYQSDKR-UHFFFAOYSA-N;151.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245216;MM245216;N=C(N)C(F)CC(O)CN;NBFVCEMXRGCOGI-UHFFFAOYSA-N;149.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245217;MM245217;CCC(C)CC(F)C(N)=O;UKZGEMFOVJGKTH-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245218;MM245218;CC(CF)CC(F)C(N)=O;IQYCCTGSXLIELU-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245219;MM245219;CCC(O)CC(F)C(N)=O;YEQCLVDVICIQMZ-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245220;MM245220;NC(=O)C(F)CC(F)CF;OFDPQWAAEBWKSP-UHFFFAOYSA-N;155.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245221;MM245221;CCC(C)CC(F)C(=O)O;ADCWKFNMLZSSLB-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245222;MM245222;CC(=CC(=O)O)C(C)O;WLYZACQFLAGUBD-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245223;MM245223;CCC(F)CC(F)C(=O)O;GFLFDHBOJJZXJX-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245224;MM245224;C=C(F)C(F)CC(C)CN;GSCJEWDZEANEQV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245225;MM245225;C=C(F)C(F)CC(N)CN;VLNOGQNSRHVNES-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245226;MM245226;C=C(F)C(F)CC(N)CF;PZACTGOWOJIMJR-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245227;MM245227;C=C(F)C(F)CC(F)CC;DBUNKAYXUDPIGC-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245228;MM245228;C=C(F)C(F)CC(F)CN;VKVFGNNPZYYHLZ-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245229;MM245229;C=C(C)C(C)CC(C)NC;ALFQFQGDTVNZIK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245230;MM245230;CNC(C)CC(C)C(C)=O;KNMLWIHRIGFPEL-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245231;MM245231;CNC(C)CC(C)C(N)=O;GLBJNXWSSRMSGI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245232;MM245232;CNC(C)CC(O)C(C)=O;FXBHJAAAVAATMF-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245233;MM245233;CNC(C)CC(O)C(=N)N;LTQYCKFFOPYXOZ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245234;MM245234;C=C(C)C(F)CC(C)NC;YACOMZYBFROJMU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245235;MM245235;CNC(C)CC(F)C(=N)N;KFJWIXOITHHJDH-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245236;MM245236;C=C(F)C(F)CC(C)NC;ADGHYDKSBPGEEE-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245237;MM245237;C=C(C)C(C)CC(C)OC;FQTGEHYDUSFGRW-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245238;MM245238;COC(C)CC(C)C(C)=O;IXQRAULSPZKFOJ-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245239;MM245239;C=CCC(=CC(=O)O)CO;ZJLFVLZJLTZQOG-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245240;MM245240;C=C(F)C(C)CC(C)OC;IILBRSLUSRHLQQ-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245241;MM245241;COC(C)CC(N)C(=N)N;VUVPBWRZBFBTLT-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245242;MM245242;COC(C)CC(O)C(C)=O;PPICQVFOPAIKOP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245243;MM245243;COC(C)CC(O)C(=N)N;VKLBPAAUUYSYAD-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245244;MM245244;CCn1nc(F)c(O)c1O;IYDJMGBRJONTEL-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245245;MM245245;C=C(F)C(O)CC(C)OC;SOLYIKKOQPYENN-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245246;MM245246;C=C(C)C(F)CC(C)OC;BKJDGDNQOIISFY-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245247;MM245247;COC(C)CC(F)C(N)=O;ZEIZEJZEJUZKBD-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245248;MM245248;C=C(C)C(C)NC(C)CC;PKQQWTZTXYHFQU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245249;MM245249;C=C(C)C(C)NC(C)CF;YZOBPRDJNKDKKK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245250;MM245250;CCC(C)NC(C)C(C)=O;FNLTWRRTWZQSTO-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245251;MM245251;CC(CN)NC(C)C(=N)N;RBGVMDQNIFWEGN-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245252;MM245252;CC(CO)NC(C)C(=N)N;DNDGBJNQQQPMQL-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245253;MM245253;CCC(C)NC(C)C(N)=O;ULNZTDLBTLSPEX-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245254;MM245254;C=C(C)C(C)OC(C)CC;IAGLXJGZCKSVID-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245255;MM245255;C=C(C)C(C)OC(C)CN;MLIXCUIOTYREID-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245256;MM245256;C=C(C)C(C)OC(C)CF;LCJANWSRNNJQBT-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245257;MM245257;CC(=O)C(C)OC(C)CO;OHVWASQYBYDAON-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245258;MM245258;CC(CO)OC(C)C(=N)N;DMXCVQQZIFANIV-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245259;MM245259;CC(CF)OC(C)C(=N)N;LHKHCVWTOMAYOQ-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245260;MM245260;C=C(F)C(C)OC(C)CN;VMBNSWASKDBMPG-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245261;MM245261;C=C(C)C(C)OC(C)OC;OMKSTRAPQBMFKP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245262;MM245262;C=C(C)C(C)CN(C)CC;ZGBLSQBUIUOUHR-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245263;MM245263;CCN(C)CC(C)C(C)=O;FJJUARXYGIHBLY-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245264;MM245264;CCN(C)CC(N)C(=N)N;MQZXSQPMWLGJJU-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245265;MM245265;C=C(C)C(O)CN(C)CC;LAVOMNSUCBVCET-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245266;MM245266;CCN(C)CC(O)C(=N)N;JSGCPAUXKUWFPV-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245267;MM245267;CCN(C)CC(O)C(N)=O;LIGISPUCAALCOY-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245268;MM245268;C=C(F)C(O)CN(C)CC;JQGHEZQKVXQFPN-UHFFFAOYSA-N;147.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245269;MM245269;CCC(C)CN(C)C(C)=N;FSEFHQKVZLGSHV-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245270;MM245270;CC(=N)N(C)CC(C)CF;JSOYLJAHYNAABZ-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245271;MM245271;CC(=N)N(C)CC(N)CN;CKNCDAQBQPEQTM-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245272;MM245272;CC(=N)N(C)CC(N)CF;HGFCZQLUAMIJIY-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245273;MM245273;CC(=N)N(C)CC(O)CO;MCUITPMHHPQKQZ-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245274;MM245274;CC(=N)N(C)CC(O)CF;PDODGXFNKZFILI-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245275;MM245275;CC(=N)N(C)CC(F)CN;WSZGDUKOYDEFRQ-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245276;MM245276;CC(=N)N(C)CC(F)CO;MVOZICABHULERA-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245277;MM245277;CCC(C)CN(C)C(C)=O;UZIXZUOSNWKMHW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245278;MM245278;CC(=O)N(C)CC(N)CN;KJKMOVUASDIKKQ-UHFFFAOYSA-N;145.21;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245279;MM245279;CC(=O)N(C)CC(N)CO;BCXOBWMJASZPHS-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245280;MM245280;CC(=O)N(C)CC(O)CO;QPTBEQRNQSOLCB-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245281;MM245281;CCC(F)CN(C)C(C)=O;YAKGBSLRZXHGLY-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245282;MM245282;CC(=O)N(C)CC(F)CF;UFQMLMRJHRLZPG-UHFFFAOYSA-N;151.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245283;MM245283;CCC(C)CN(C)C(=N)N;WNDLBKOOONIEHH-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245284;MM245284;CC(CN)CN(C)C(=N)N;CIZDNZAKQTZHHW-UHFFFAOYSA-N;144.22;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245285;MM245285;CC(CO)CN(C)C(=N)N;PNZJUKHRLWJTQC-UHFFFAOYSA-N;145.21;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245286;MM245286;CC(CF)CN(C)C(=N)N;KBWIHUNPFNPEFM-UHFFFAOYSA-N;147.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245287;MM245287;CCC(N)CN(C)C(=N)N;LUJWJPHSZIZIQN-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245288;MM245288;CN(CC(N)CN)C(=N)N;XWORRLRUHUNEJO-UHFFFAOYSA-N;145.21;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245289;MM245289;CN(CC(N)CO)C(=N)N;MPBHTFHUEURJIG-UHFFFAOYSA-N;146.19;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245290;MM245290;CN(CC(N)CF)C(=N)N;QMPOFUBDTFLAOA-UHFFFAOYSA-N;148.19;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245291;MM245291;CCC(O)CN(C)C(=N)N;ZRJZRTVKANSWNJ-UHFFFAOYSA-N;145.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245292;MM245292;C=C(CON=CC)C(C)O;FTYTWVSPNXUQQE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245293;MM245293;CN(CC(N)CO)C(N)=O;AFBNLXYPFOCEEU-UHFFFAOYSA-N;147.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245294;MM245294;CCC(O)CN(C)C(N)=O;DQAYGRINFGVUCM-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245295;MM245295;CN(CC(O)CO)C(N)=O;QAILLGDXVAKGDC-UHFFFAOYSA-N;148.16;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245296;MM245296;CCC(C)CN(N)C(C)=N;KPAYMSOZOWZCIY-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245297;MM245297;CCC(O)CN(N)C(C)=N;VCWWQTJFYDKHEM-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245298;MM245298;CC(=N)N(N)CC(O)CO;MSWDLVWKNDDWKZ-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245299;MM245299;CC(=N)N(N)CC(F)CF;WJVZLISUNASWTM-UHFFFAOYSA-N;151.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245300;MM245300;CCC(C)CN(N)C(C)=O;ZDYGPYAZJDCFLJ-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245301;MM245301;CN(N)C(=O)NCC=NN;SXECURKOLYTDNK-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245302;MM245302;CN(O)C(C=CN)=NC=N;ANSBXTPULVMQAL-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245303;MM245303;CCC(F)CN(N)C(C)=O;QFHWOEZPZGUNGX-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245304;MM245304;CC(CO)CN(N)C(=N)N;GGQRUIXNVZUDPY-UHFFFAOYSA-N;146.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245305;MM245305;CCC(O)CN(N)C(=N)N;WMTWFNJGJXEQEJ-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245306;MM245306;N=C(N)N(N)CC(O)CO;UQZPGSJGDYVDJN-UHFFFAOYSA-N;148.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245307;MM245307;N=C(N)N(N)CC(O)CF;BKSUJLGLDCRSHO-UHFFFAOYSA-N;150.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245308;MM245308;C#CCC(O)CC1CN1C;RELOKIAWCXNLPO-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245309;MM245309;CNC(C)(C#N)C(=N)NO;XAHQVQNLOVIRRC-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245310;MM245310;CCC(C)CN(O)C(=N)N;RMTFZSXYYDPPBA-UHFFFAOYSA-N;145.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245311;MM245311;CC(CN)CN(O)C(=N)N;NWSYDROHFRHZQO-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245312;MM245312;CC(CO)CN(O)C(=N)N;QXFBNRQDYJPZCW-UHFFFAOYSA-N;147.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245313;MM245313;N=C(N)N(O)CC(N)CN;UFDXLLPZRTZBPB-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245314;MM245314;N=C(N)N(O)CC(N)CO;NAIJTKQZBBDDQK-UHFFFAOYSA-N;148.17;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245315;MM245315;N=C(N)N(O)CC(N)CF;UGSVANVXLMLPIT-UHFFFAOYSA-N;150.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245316;MM245316;CCC(O)CN(O)C(=N)N;ZTBONUZIFZBONF-UHFFFAOYSA-N;147.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245317;MM245317;N=C(N)N(O)CC(O)CN;LSXPHDKASIHQDA-UHFFFAOYSA-N;148.17;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245318;MM245318;N=C(N)N(O)CC(F)CO;UKOQOEMAYDUVPG-UHFFFAOYSA-N;151.14;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245319;MM245319;CCC(C)CN(O)C(N)=O;KEICNKBIKPNSHV-UHFFFAOYSA-N;146.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245320;MM245320;CC(CN)CN(O)C(N)=O;DPHLUJVCDDPKPI-UHFFFAOYSA-N;147.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245321;MM245321;CC(CO)CN(O)C(N)=O;HTKLOOZIXBJXLP-UHFFFAOYSA-N;148.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245322;MM245322;CCC(N)CN(O)C(N)=O;KGNLDDKUKVNPJB-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245323;MM245323;NCC(N)CN(O)C(N)=O;HKIREQBTBZTUKK-UHFFFAOYSA-N;148.17;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245324;MM245324;CCC(O)CN(O)C(N)=O;MKIWDMDAEQZPFW-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245325;MM245325;CNC(C)CN(C)C(=N)N;XBKWUJGNEMINHN-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245326;MM245326;CNC(C)CN(N)C(=N)N;HHXOLQLJQGATHB-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245327;MM245327;CNC(C)CN(N)C(N)=O;VDZVUPFWBQVGMK-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245328;MM245328;CNC(C)CN(O)C(=N)N;YKQVDWIFXUMMCS-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245329;MM245329;CNC(C)CN(O)C(N)=O;LLYILGOQDLBFLJ-UHFFFAOYSA-N;147.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245330;MM245330;COC(C)CN(C)C(N)=O;HHDNBVUGQGOAHA-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245331;MM245331;COC(C)CN(N)C(C)=N;XGXNTTLMGOLERM-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245332;MM245332;CCC(O)CNC(=N)C#N;RGUXWPDKUSQCAZ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245333;MM245333;COC(C)CN(O)C(C)=N;QJHAOFWSMKLXDK-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245334;MM245334;CCC(C)NN(C)C(C)=N;UNHGBAZWHXHRFF-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245335;MM245335;CCC(C)NN(C)C(C)=O;PBEDJMYKMZDVKA-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245336;MM245336;CCC(C)NN(C)C(=N)N;YKGGTOQWNWFIJX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245337;MM245337;CCC(C)ON=C(C)NO;CCVDLJIKKRSYFM-UHFFFAOYSA-N;146.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245338;MM245338;CCC(C)ON(C)C(C)=N;HXUJGIRXUZKPPS-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245339;MM245339;CC(=N)N(C)OC(C)CO;FIXRWDTVKNHFCS-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245340;MM245340;CCC(C)ON(C)C(C)=O;XXEQINDJCWICAJ-UHFFFAOYSA-N;145.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245341;MM245341;CC(CO)ON(C)C(=N)N;VUZCSOUBAHNFCY-UHFFFAOYSA-N;147.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245342;MM245342;CC(CO)ON(C)C(N)=O;VIWLABPWIGPJQU-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245343;MM245343;C=CC(C)CC(C)C(=C)C;XPGIJUHBSQCOFU-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245344;MM245344;C=C(C)C(C)CC(C)C=O;PWDBNYSBXMTCGB-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245345;MM245345;C=C(C)C(C)CC(C)C#N;FKEALCJEBHMNHM-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245346;MM245346;C=CC(N)CC(C)C(=C)C;XFJRXTJLQGLBBY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245347;MM245347;C#CC(C)ON=C(C)NO;UNKQARJZXIHUES-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245348;MM245348;C=C(C)C(C)CC(O)C#N;TYHJFYYZDQSHAF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245349;MM245349;C=C(C)C(C)CC(F)C=O;OJYVATSLEAZADR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245350;MM245350;C=C(C)C(C)CC(F)C#N;OHSNJKALYFUJQG-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245351;MM245351;C=CC(C)CC(C)C(C)=O;YPRNPQSXRKIGLK-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245352;MM245352;CC(=O)C(C)CC(C)C=O;IJSKPBUWIMRMBW-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245353;MM245353;CC(=O)C(C)CC(C)C#N;ZXADZUDENFCCHH-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245354;MM245354;C=CC(F)CC(C)C(C)=O;PVNKAAOUEACUJO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245355;MM245355;CC(=O)C(C)CC(F)C#N;UALQJMYFOPWIBG-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245356;MM245356;C=CC(C)CC(C)C(=N)N;DOEPGIGGFHAYFU-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245357;MM245357;C=CC(N)CC(C)C(=N)N;FOYIJOQCKLOMMG-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245358;MM245358;CC(CC(O)C#N)C(=N)N;KLXQVYNVOJJBGI-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245359;MM245359;CC(CC(F)C=O)C(=N)N;OPQWUYRGCKTNEP-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245360;MM245360;C=CC(N)CC(C)C(N)=O;MHCIIZANYVEHTO-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245361;MM245361;C=CC(C)CC(C)C(=O)O;XHIVSFVYNGJLEJ-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245362;MM245362;NN=c1onc(O)n1O;SDIZPZFBCAGLRZ-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245363;MM245363;Nc1nnn[nH]1;ULRPISSMEBPJLN-UHFFFAOYSA-N;85.07;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245364;MM245364;N=c1cn[nH]c(=N)n1C=O;ITINOWSNVGSHJM-UHFFFAOYSA-N;139.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245365;MM245365;C=CC(F)CC(C)C(=O)O;VDSKJAIZOHXOBE-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245366;MM245366;CC(CC(F)C#N)C(=O)O;CTGPQUBICVDASF-UHFFFAOYSA-N;145.13;0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245367;MM245367;C=C(F)C(C)CC(C)C=O;JAYFHGDAXPDINH-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245368;MM245368;C=C(F)C(C)CC(C)C#N;YCLKOVKLOQCDBR-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245369;MM245369;C=CC(O)CC(C)C(=C)F;YCKZISKYVRRPDR-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245370;MM245370;C=C(F)C(C)CC(O)C#N;OLEJJCBHNHXBNG-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245371;MM245371;C=CC(C)CC(N)C(=C)C;SODQGHZOVYRSIH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245372;MM245372;C=CC(F)CC(N)C(=C)C;QRVOEHQZJVKFQL-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245373;MM245373;C=CC(C)CC(N)C(=N)N;DCHIFBGDHLMKTB-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245374;MM245374;C=CC(N)CC(N)C(=N)N;UUDBMUMYVVJTHN-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245375;MM245375;C=CC(O)CC(N)C(=N)N;VDJYHJLHRGPQNU-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245376;MM245376;C=CC(C)CC(N)C(N)=O;NIDZLHIVIHSQTC-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245377;MM245377;C=CC(C)CC(N)C(=C)F;VBSJQCDIEUUVBU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245378;MM245378;CC(=NOC(=O)CF)NO;HRVBDNVSJZTZLQ-UHFFFAOYSA-N;150.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245379;MM245379;C=C(C)C(O)CC(C)C#N;GUXHPQHLADVCEM-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245380;MM245380;C=C(C)C(O)CC(O)C#N;QZCJFKHAUKBNPT-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245381;MM245381;CC(=O)C(O)CC(C)C=O;CRGQOZLFWMNUKR-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245382;MM245382;CC(=O)C(O)CC(O)C#N;ZEZJYNBJXMZCMG-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245383;MM245383;CC(C=O)CC(O)C(=N)N;RZPZJEOLXIENIT-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245384;MM245384;CC(C#N)CC(O)C(=N)N;KWKBTXQHUPFJSY-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245385;MM245385;C=CC(N)CC(O)C(=N)N;YDWICSWQMLRTBQ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245386;MM245386;N#CC(O)CC(O)C(=N)N;XVUNESNHTNJVDT-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245387;MM245387;N=C(N)C(O)CC(F)C=O;RSZVNPCQUVLJKI-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245388;MM245388;N#CC(F)CC(O)C(=N)N;POPQNAJKCAZFKX-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245389;MM245389;CC(C#N)CC(O)C(N)=O;GLJOZIRIGNQOCW-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245390;MM245390;C=CC(O)CC(O)C(N)=O;RBRSZEDTAQKNCG-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245391;MM245391;N#CC(O)CC(O)C(N)=O;SGDAZQXGQVPGRO-UHFFFAOYSA-N;144.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245392;MM245392;C#Cc1n[nH]c(C#C)c1O;PIHMDTNSENHQMK-UHFFFAOYSA-N;132.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245393;MM245393;N=c1c(=O)oc(O)cn1O;GBOXYFPUTMPBNW-UHFFFAOYSA-N;144.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245394;MM245394;C=CC(N)CC(O)C(=C)F;BFHOVRLJMBLYOC-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245395;MM245395;C=C(F)C(O)CC(O)C#N;VEHSFHNKXCRTQC-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245396;MM245396;C=C(C)C(F)CC(C)C=O;LKQFZKKKLWTYMY-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245397;MM245397;C=CC(N)CC(F)C(=C)C;VGBOHBRKBVEQLY-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245398;MM245398;C=CC(O)CC(F)C(=C)C;PCNIIYWZIPXWFN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245399;MM245399;C=C(C)C(F)CC(O)C#N;JVIFFSIZZMWHFA-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245400;MM245400;C=CC(F)CC(F)C(=C)C;YDMUZLJWAJFOFJ-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245401;MM245401;C=C(C)C(F)CC(F)C#N;AHXTWANJCXUDDR-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245402;MM245402;CC(=O)C(F)CC(C)C=O;SBNHZQMYNVPFNB-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245403;MM245403;CC(=O)C(F)CC(O)C#N;GWUNSKCGQNGABE-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245404;MM245404;CC(C=O)CC(F)C(=N)N;KFBXZBSIRHBXCJ-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245405;MM245405;C=CC(C)CC(F)C(N)=O;LTJUBEZKCYGTIC-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245406;MM245406;CC(C=O)CC(F)C(N)=O;NHAZMLZZFBGHCC-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245407;MM245407;N#CC(O)CC(F)C(N)=O;AAMRKPPTAYFHOO-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245408;MM245408;C=CC(C)CC(F)C(=O)O;FGVFHOCTTGDUOX-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245409;MM245409;C=CC(N)CC(F)C(=C)F;CUSMWPJEJBYZFW-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245410;MM245410;C=CC(O)CC(F)C(=C)F;MUKGTIXHMFQVLH-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245411;MM245411;CC(C=O)NC(C)C(=N)N;YWNKEGKKZQZSTD-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245412;MM245412;CC(C#N)NC(C)C(=N)N;AWDOVLZWJONMHJ-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245413;MM245413;C=CC(C)OC(C)C(=C)C;JQEYAFAYOKJMBN-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245414;MM245414;C=CC(C)OC(C)C(C)=O;RYTSCUMYZBIJHZ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245415;MM245415;CC(=O)C(C)OC(C)C#N;NGSYHYCHSYZIKT-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245416;MM245416;C=CC(C)OC(C)C(=N)N;URBQEMUVRUBGHH-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245417;MM245417;C=C(F)C(C)OC(C)C=O;PLMZLTDVNBFMSQ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245418;MM245418;C=C(C)C(C)CN(C)C=N;GQEOTFPBRIZPHC-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245419;MM245419;C=C(C)C(C)CN(N)C=O;HGPZEBBQVYRDJG-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245420;MM245420;C=C(C)C(C)CN(O)C=N;BFOHAFVNZBSXHM-UHFFFAOYSA-N;142.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245421;MM245421;C=C(C)C(C)CN(O)C=O;DNNRIQQTVYRJNV-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245422;MM245422;CCN(O)C=NC(=N)C=O;AYSJOBWPGXMLPW-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245423;MM245423;CC(=O)C(C)CN(O)C=N;CKESCEHTPRTZRQ-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245424;MM245424;CC(=O)C(C)CN(O)C=O;QKZFMIINIZBUKC-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245425;MM245425;CC(CN(C)C=O)C(=N)N;ZQJNAMDAKNMGFC-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245426;MM245426;Cc1c(N)noc1O;TYFXNKPSCOMFBC-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245427;MM245427;C=C(F)C(C)CN(C)C=N;FOBLFLNGKRXBDA-UHFFFAOYSA-N;144.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245428;MM245428;C=C(F)C(C)CN(C)C=O;JQVQONDSPPKPOI-UHFFFAOYSA-N;145.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245429;MM245429;C=C(F)C(C)CN(N)C=N;HSQHWWCBCVRXBY-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245430;MM245430;C=C(F)C(C)CN(O)C=N;NNGZUKUQSAAKJR-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245431;MM245431;C=C(C)C(N)CN(C)C=O;ZLCRXBCNDLJMDU-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245432;MM245432;CN(C=N)CC(N)C(=N)N;FCFRFGDZINXONS-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245433;MM245433;C=C(C)C(O)CN(C)C=O;FVPLIQFPTGAWQV-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245434;MM245434;C=C(C)C(O)CN(N)C=N;HTUPLHNMNPCNKR-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245435;MM245435;CCN(O)C=NC(C)=NN;HDQCHTVKPJMZEK-UHFFFAOYSA-N;144.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245436;MM245436;CC(=O)C(O)CN(C)C=N;UIEXAROYSLOPCK-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245437;MM245437;CC(=O)C(O)CN(C)C=O;BJWKNMHNYVGWAL-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245438;MM245438;CN(C=N)CC(O)C(=N)N;PJJZXGRBUGHNKF-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245439;MM245439;CN(C=O)CC(O)C(=N)N;IIGSVLZJBNCNDK-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245440;MM245440;N=C(N)C(O)CN(N)C=O;HIEWECIOSBZROU-UHFFFAOYSA-N;146.15;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245441;MM245441;N=CN(O)CC(O)C(=N)N;GMWQPNUQQNUIAA-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245442;MM245442;CN(C=N)CC(O)C(N)=O;FSUBPFOEROZEJX-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245443;MM245443;CN(C=O)CC(O)C(N)=O;WVHBYBIQTLXCME-UHFFFAOYSA-N;146.15;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245444;MM245444;N=CN(N)CC(O)C(N)=O;XTTAEISWLDUWQW-UHFFFAOYSA-N;146.15;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245445;MM245445;CC(C=O)N=C(CF)NO;TZKKRPYCVCJRDV-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245446;MM245446;N=c1nn[nH]c(=O)c(N)n1;OVOXRGFNAGJPKW-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245447;MM245447;NC(=O)N(N)CCC(=O)O;AKLTUUNDQOGPES-UHFFFAOYSA-N;147.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245448;MM245448;C#Cc1n[nH]c(=NC)o1;JUOFZYKIPWZGDW-UHFFFAOYSA-N;123.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245449;MM245449;C=C(F)C(O)CN(C)C=N;VBTMYRVRQQOWMM-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245450;MM245450;C=C(F)C(O)CN(C)C=O;SCLSJCJWANUPER-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245451;MM245451;C=C(C)C(F)CN(C)C=N;GAZIMYCYZNXKJS-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245452;MM245452;CC(=O)C(F)CN(C)C=N;XEHDOFIMTJLSRW-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245453;MM245453;C#CC(C)N=C(CF)NO;ZVCPWMCZCBRFJF-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245454;MM245454;CN(C=N)CC(F)C(=N)N;YTYXWONTOQPPJM-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245455;MM245455;CN(C=N)CC(F)C(N)=O;LRPNLQVZWUURQO-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245456;MM245456;C=C(CO)NC(C=O)=NC;YKNVSPHEJLANEH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245457;MM245457;C=NN(C)CC(C)C(=C)C;ZBTCDECRPOSPLT-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245458;MM245458;C=NN(C)CC(N)C(=N)N;TYXWPTKSYZMRAE-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245459;MM245459;COC(=N)N=C(C=O)NO;JPWFBTLVYXVESM-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245460;MM245460;CC(F)CN=C(CF)NO;LFTDKIDAGIVCPX-UHFFFAOYSA-N;152.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245461;MM245461;C=NN(C)CC(O)C(=N)N;VLDVARRUGRSHHU-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245462;MM245462;COC(CNC(N)=O)=NN;OVPNKSREBRKNMY-UHFFFAOYSA-N;146.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245463;MM245463;CC#Cc1n[nH]c(=NC)o1;MMHQPVOLIXWKQM-UHFFFAOYSA-N;137.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245464;MM245464;CC(C)=NNC(C=O)CO;RYFUXKZSILJLOM-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245465;MM245465;C=NN(C)CC(F)C(=C)C;KHAILZYQNAKFPW-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245466;MM245466;CC(=O)C(C)NN(C)C=N;KDFSHOZWKYQPTA-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245467;MM245467;CC(C)=CN=C(CF)NO;ROZBJAKNDKKRJD-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245468;MM245468;C=C(C)C(C)ON(C)C=O;WGWYANVOIWSALO-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245469;MM245469;CC(=O)C(C)ON(C)C=N;RXBXNOGIXLPSJI-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245470;MM245470;CC(ON(C)C=O)C(=N)N;HFAWMEFQRKUMGA-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245471;MM245471;C=CC(C)CN(C)C(C)=N;RWJJQZFCSSKZJT-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245472;MM245472;CC(=N)N(C)CC(C)C#N;SNXKQBCKLSMEMY-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245473;MM245473;CC(=N)N(C)CC(O)C#N;JXBCZNLZKKQZKY-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245474;MM245474;C=CC(F)CN(C)C(C)=N;VMDJFPSIVHEVOL-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245475;MM245475;CC(=N)N(C)CC(F)C=O;JLWQKSKEQOZZCH-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245476;MM245476;C=CC(C)CN(C)C(C)=O;NTBFVLQGYUJINK-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245477;MM245477;CC(=O)N(C)CC(F)C=O;IOLBXPRADGMHSS-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245478;MM245478;C=CC(N)CN(C)C(=N)N;ZSSPYEAMTKZARI-UHFFFAOYSA-N;142.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245479;MM245479;C=CC(O)CN(C)C(=N)N;HBRFMRMQZLIGRX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245480;MM245480;CC(F)=CN=C(CF)NO;FKWSRBSYUUJKMV-UHFFFAOYSA-N;150.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245481;MM245481;CC(C=O)CN(C)C(N)=O;CLXQABBOIVJICK-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245482;MM245482;CC(C#N)CN(C)C(N)=O;QEBOSYQQPCBJTL-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245483;MM245483;C=CC(N)CN(C)C(N)=O;DOBKPKSAOMKMFD-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245484;MM245484;CN(CC(O)C=O)C(N)=O;SSISTXOYULLCGF-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245485;MM245485;CN(CC(F)C#N)C(N)=O;WKTUYLMZILKVPQ-UHFFFAOYSA-N;145.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245486;MM245486;C=CC(C)CN(N)C(C)=O;PXTNCSRHFOECPN-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245487;MM245487;CC(C=O)C(F)C(=N)NO;LNLMMDXEITVYFC-UHFFFAOYSA-N;148.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245488;MM245488;C=CC(F)CN(N)C(C)=O;FBQLGKDSKFMCCE-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245489;MM245489;C=CC(O)CN(N)C(=N)N;IUQKAGCBOFOSLK-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245490;MM245490;CN(C=O)C(=O)C(N)CO;GWILAQOWTQXNQL-UHFFFAOYSA-N;146.15;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245491;MM245491;C=CC(C)CN(O)C(C)=N;WXDFNMIEDSUHAJ-UHFFFAOYSA-N;142.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245492;MM245492;CC(=N)N(O)CC(C)C=O;KVPPXJKBHCYDIR-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245493;MM245493;CC(C=O)CN(O)C(=N)N;ZDQFTXMOUHHRBF-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245494;MM245494;CC(C#N)CN(O)C(=N)N;VMAHUEROIIZOEW-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245495;MM245495;C=CC(N)CN(O)C(=N)N;MHEGRYZQHKEBAZ-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245496;MM245496;C=CC(O)CN(O)C(=N)N;SMUIZGFNJXIIQX-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245497;MM245497;N=C(N)N(O)CC(O)C=O;HAKWRWIXIMOTJC-UHFFFAOYSA-N;147.13;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245498;MM245498;N#CC(F)CN(O)C(=N)N;AKMLXVGXYGTOTG-UHFFFAOYSA-N;146.13;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245499;MM245499;CC(C#N)CN(O)C(N)=O;FGHOEQZCMWHHHU-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245500;MM245500;C=CC(O)CN(O)C(N)=O;JIWNRPUZNXZIAP-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245501;MM245501;NC(=O)N(O)CC(O)C=O;INPPIEPDIQCYHI-UHFFFAOYSA-N;148.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245502;MM245502;N#CC(O)CN(O)C(N)=O;JHRWJHAMKRFZPC-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245503;MM245503;N#CC(F)CN(O)C(N)=O;UDONMDYFQNLUNL-UHFFFAOYSA-N;147.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245504;MM245504;C=CC(C)NN(C)C(C)=O;KZTCQZOFAQUCKH-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245505;MM245505;CC(=O)N(C)NC(C)C#N;VXKQUMLMZWESNM-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245506;MM245506;CC(C=O)NN(C)C(=N)N;SCHBLSPYCJHHGB-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245507;MM245507;CC(=N)N(C)OC(C)C=O;MBPDUUJQECQWPQ-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245508;MM245508;C=CC(C)ON(C)C(C)=O;UPMNLOKSTNOBAK-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245509;MM245509;CC(=O)N(C)OC(C)C=O;IQOYGNQIARPRKZ-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245510;MM245510;CC(C=O)ON(C)C(=N)N;OGYKYCHTTVTDTH-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245511;MM245511;C#CC(C)CC(C)C(=C)C;SUZLCRTXPRPNOR-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245512;MM245512;C#CC(N)CC(C)C(=C)C;AJTANLMKPAZJNM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245513;MM245513;C#CC(O)CC(C)C(=C)C;INESHXOSJTZRCQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245514;MM245514;C#CC(F)CC(C)C(=C)C;QFTFOWBMYDIEFD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245515;MM245515;C#CC(C)CC(C)C(C)=O;YYUKMUSQNJJWKK-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245516;MM245516;C#CC(F)CC(C)C(C)=O;YNVLLTOZEJUNQQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245517;MM245517;C#CC(C)CC(C)C(=N)N;ISIBPOMKSSNIJF-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245518;MM245518;C#CC(O)CC(C)C(=N)N;IAVGRMOTKWYSLH-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245519;MM245519;CCC(=O)C(=O)C(=N)NO;WBMJPIQNRKYPKM-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245520;MM245520;C#CC(C)CC(C)C(=O)O;KJAPVZOIQSFFOO-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245521;MM245521;C#CC(F)CC(C)C(=O)O;SJYLYALPDPDNFM-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245522;MM245522;C#CC(O)CC(C)C(=C)F;BCYIVYPMAYSGLQ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245523;MM245523;C#CC(F)CC(C)C(=C)F;GOMCYEKTMFHQJT-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245524;MM245524;C#CC(C)CC(N)C(=C)C;CCFYKLBDIDPWGD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245525;MM245525;C#CC(F)CC(N)C(=C)C;YWCFHSFWEVEGRK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245526;MM245526;C#CC(N)CC(N)C(=N)N;XWQGHUTYLGJOGE-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245527;MM245527;C#CC(F)CC(N)C(=N)N;HCAPYMMUOPYHMZ-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245528;MM245528;COC(=O)C(=O)C(=N)NO;JZBZSUVALYITMZ-UHFFFAOYSA-N;146.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245529;MM245529;C#CC(C)CC(O)C(C)=O;NCHZGCDGCDLWHE-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245530;MM245530;C#CC(F)CC(O)C(C)=O;CCYZMZHRIUNHKN-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245531;MM245531;C#CC(F)CC(O)C(=N)N;YPFUZHDFQYAHLT-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245532;MM245532;CNN=CC(C)C(=O)O;PWJVCBFBAPMLSA-UHFFFAOYSA-N;130.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245533;MM245533;C#CC(N)CC(O)C(=C)F;DVWXSYCDJOEAFI-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245534;MM245534;C#CC(O)CC(O)C(=C)F;AHZQBPXTPPQWQY-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245535;MM245535;C#CC(C)CC(F)C(=C)C;CWKJCVCQPJTWCT-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245536;MM245536;C#CC(O)CC(F)C(=C)C;PLYBWMNIVDNIFG-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245537;MM245537;C#CC(F)CC(F)C(=C)C;VCYPIZISFJRTER-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245538;MM245538;C#CC(C)CC(F)C(C)=O;KGSPMNFDSGCRJV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245539;MM245539;C#CC(O)CC(F)C(C)=O;ANIWMRNRSFLAPD-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245540;MM245540;C#CC(F)CC(F)C(C)=O;FMZJGBUNRLMCKL-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245541;MM245541;C#CC(C)CC(F)C(N)=O;DOIHAYPIKIGCMZ-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245542;MM245542;C#CC(C)CC(F)C(=O)O;IXUXGEJCUBVRSG-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245543;MM245543;C#CC(C)CC(F)C(=C)F;AASJJBKEBYBWEM-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245544;MM245544;C#CC(N)CC(F)C(=C)F;IAXPPPIBQRXZGX-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245545;MM245545;C#CC(F)CC(F)C(=C)F;USUSUNNASHLWAV-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245546;MM245546;C#CC(C)NC(C)C(=C)C;RNSMQTKOMPJBMS-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245547;MM245547;C#CC(C)OC(C)C(=C)C;IIANDWYDLUDHAD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245548;MM245548;C#CC(C)CN(C)C(C)=O;TVXWSSJXHCYBQJ-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245549;MM245549;C#CC(N)CN(C)C(=N)N;FDXQQBKHDCPOBA-UHFFFAOYSA-N;140.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245550;MM245550;C#CC(O)CN(C)C(=N)N;AZTSIGROONOHIN-UHFFFAOYSA-N;141.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245551;MM245551;C#CC(F)CN(C)C(=N)N;YLHYPKXWSGUPMG-UHFFFAOYSA-N;143.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245552;MM245552;C#CC(C)CN(C)C(N)=O;IAVBRBGVHWGKKP-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245553;MM245553;C#CC(O)CN(C)C(N)=O;CLCNILHWPQEZIS-UHFFFAOYSA-N;142.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245554;MM245554;C#CC(F)CN(C)C(N)=O;NOCDOFZJPRNCTL-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245555;MM245555;C#CC(F)CN(N)C(C)=N;JNLUCRAVLREYFZ-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245556;MM245556;CN(CCCO)N=CCO;OLYDMIFOLVUYAX-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245557;MM245557;C#CC(C)CN(N)C(=N)N;DRCKWZXKJOCSSZ-UHFFFAOYSA-N;140.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245558;MM245558;C#CC(O)CN(N)C(=N)N;WENIKPDBVOOICG-UHFFFAOYSA-N;142.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245559;MM245559;C#CC(F)CN(N)C(=N)N;GIAQUGACLHXCEF-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245560;MM245560;CC=CCN(O)C=NNC;YJQYIYDAXLHXQI-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245561;MM245561;CNN=CN(O)CC=NN;RDGQTULMRYBBTQ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245562;MM245562;COCCC(F)C(=N)NO;BJPOQFMBOITGIN-UHFFFAOYSA-N;150.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245563;MM245563;C#CC(N)CN(O)C(C)=N;CACMFTIRWRWINR-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245564;MM245564;C#CC(O)CN(O)C(C)=N;BXJFILPCAOOTEY-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245565;MM245565;C#CC(C)CN(O)C(=N)N;GQGXVEFDVAUZKL-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245566;MM245566;C#CC(N)CN(O)C(=N)N;SYAXZFYWAQZDQX-UHFFFAOYSA-N;142.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245567;MM245567;C#CC(F)CN(O)C(=N)N;MSXRXJYQURTERT-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245568;MM245568;C#CC(C)CN(O)C(N)=O;AOPYCIBTHMCPMW-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245569;MM245569;C#CC(O)CN(O)C(N)=O;VDBGZTLIHOAZHZ-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245570;MM245570;C#CC(F)CN(O)C(N)=O;XBAMEBPMKANFLJ-UHFFFAOYSA-N;146.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245571;MM245571;C#CC(C)NN(C)C(C)=N;DQCAASJWNDOKGI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245572;MM245572;C#CC(C)NN(C)C(C)=O;NBLIBKMWQNQNAA-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245573;MM245573;C#CC(C)ON(C)C(C)=N;LCXFXCOJKXSNNJ-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245574;MM245574;C#CC(C)ON(C)C(=N)N;OJHRDBVIFINTOB-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245575;MM245575;C=C(CC)CC(C)C(=C)C;AHSPZHPCPJJBOO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245576;MM245576;C=C(CN)CC(C)C(=C)C;QHJATSITJRRIIR-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245577;MM245577;C=C(CO)CC(C)C(=C)C;LZKAZZUNFFEAAO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245578;MM245578;C=C(CF)CC(C)C(=C)C;VUIWYZXSSUGUNG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245579;MM245579;C=C(C)C(C)CC(=O)CC;NXVSQGRNPFTNOT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245580;MM245580;C=C(C)C(C)CC(=O)CF;KRVHTZWLDQEJJV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245581;MM245581;C=C(CC)CC(C)C(C)=O;HWGZVDVZXNTCGB-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245582;MM245582;C=C(CO)CC(C)C(C)=O;COCOLDKUUJMKAN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245583;MM245583;C=C(CF)CC(C)C(C)=O;WBJVRJJSKUWRQX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245584;MM245584;CCC(=O)CC(C)C(C)=O;HOJASNKTWKWRHK-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245585;MM245585;CC(=O)C(C)CC(=O)CF;HHNQQBOPNGDKBH-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245586;MM245586;C=C(CC)CC(C)C(=N)N;UKZPVUSIWSIBDH-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245587;MM245587;C=C(CF)CC(C)C(=N)N;WVBWXKFIUCBCKH-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245588;MM245588;CC(CC(=O)CO)C(=N)N;KMUPITKANRUFDI-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245589;MM245589;CC(CC(=O)CF)C(=N)N;UBQRVAVGZPKGTQ-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245590;MM245590;C#CCCC(F)C(=N)NO;IXEDUYBHNOAOTB-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245591;MM245591;C=C(CN)CC(C)C(N)=O;ADPCIFNOLWPXQC-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245592;MM245592;CC=CCC(F)C(=N)NO;OFTHZSHRIVOEQU-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245593;MM245593;CC(CC(=O)CF)C(N)=O;JMEKRQGFMDDHJW-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245594;MM245594;CCC(C=NN)C(=O)O;URCAUJLQDPDKMC-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245595;MM245595;C=C(CO)CC(C)C(=C)F;DHCUVINTYVCHKX-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245596;MM245596;C=C(F)C(C)CC(=O)CF;RNPWEWWUCDOPCU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245597;MM245597;C=C(CC)CC(N)C(=C)C;VUHFAYIQFONUMO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245598;MM245598;C=C(CO)CC(N)C(=C)C;OXCCHOQOBVZLLY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245599;MM245599;C=C(CF)CC(N)C(=C)C;IAVZPQTVAHOZLE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245600;MM245600;C=C(CC)CC(N)C(=N)N;SNHOZJJTIIDDPD-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245601;MM245601;C=C(CO)CC(N)C(=N)N;YTFPQCDYGYWYGL-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245602;MM245602;CCC#CC(=O)C(=N)NO;KPESORXVDSVYRE-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245603;MM245603;C=C(CN)CC(O)C(=C)C;JEOAMZGQEZTVOU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245604;MM245604;CCC(=O)CC(O)C(C)=O;SUAOXERUOLNODJ-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245605;MM245605;CC(=O)C(O)CC(=O)CO;XLUGOLRJPRATMY-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245606;MM245606;C=C(CN)CC(O)C(=N)N;WPVOAQUQPNISQN-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245607;MM245607;C=C(CO)CC(O)C(=N)N;NSSVCOZYIWBXCA-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245608;MM245608;CCC(=O)CC(O)C(=N)N;FPCLVVWKDLAQQI-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245609;MM245609;N=C(N)C(O)CC(=O)CO;LKFFEORJEPNFTL-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245610;MM245610;CCC(=O)CC(O)C(N)=O;JMGDBRZNFIPPLY-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245611;MM245611;NC(=O)C(O)CC(=O)CO;GVUCAUPDYQYHON-UHFFFAOYSA-N;147.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245612;MM245612;O=c1nc(O)[nH]oc1=O;GDBSJZVMFCNOPL-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245613;MM245613;CC(C)C(CC=O)C(=O)O;OLJLEDGHNXTSHH-UHFFFAOYSA-N;144.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245614;MM245614;C=C(F)C(O)CC(=O)CF;WXWAJXNDHOLSAJ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245615;MM245615;C=C(CN)CC(F)C(=C)C;LTZGLQFYCIHEIW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245616;MM245616;C=C(C)C(F)CC(=O)CC;VDUAKTRSWKUTMN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245617;MM245617;C=C(CC)CC(F)C(C)=O;FWSFWFQWLHSYBE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245618;MM245618;C=C(CF)CC(F)C(C)=O;KDHNEJPXOKUAOW-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245619;MM245619;CCC(=O)CC(F)C(C)=O;YMJXBDXDXHDPAP-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245620;MM245620;CCC(=O)CC(F)C(N)=O;RSCHUFVHZFDSKL-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245621;MM245621;C=C(CC)CC(F)C(=O)O;VDTCSJOHEGBZJH-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245622;MM245622;C=C(CN)CC(F)C(=C)F;NNSWYZCXQUVAGB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245623;MM245623;C=C(F)C(F)CC(=O)CF;PLOPTHFWSDJBLC-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245624;MM245624;C=C(C)C(C)CC(=N)NC;FUHJDIKLEWISNH-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245625;MM245625;COCCON=C(C)NO;BWNQGQBXUCJORE-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245626;MM245626;C=C(C)C(C)CC(=O)NO;ZLSRSCOXJMAYEM-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245627;MM245627;CC(=O)C(C)CC(=N)NO;BNTLQIJCLCPWSW-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245628;MM245628;CNC(=O)CC(C)C(C)=O;MGLCFENNHLOGSH-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245629;MM245629;CNC(=N)CC(C)C(=N)N;JYRYNJGREFREES-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245630;MM245630;CC(CC(=N)NN)C(=N)N;VXMLHHXRBOUQHA-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245631;MM245631;O=Cn1oc(=NO)[nH]c1=O;CUAAFHKNNNBABL-UHFFFAOYSA-N;145.07;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245632;MM245632;C=C(F)C(C)CC(=N)NO;STPMZRNHUJHDJJ-UHFFFAOYSA-N;146.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245633;MM245633;C=C(F)C(C)CC(=O)NC;KYQGUEGWFNVKLT-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245634;MM245634;C=C(F)C(C)CC(=O)NO;FKZVRFMGIUFDAQ-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245635;MM245635;CNC(=N)CC(N)C(=N)N;MVASFBOSIXWRHB-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245636;MM245636;N=C(CC(N)C(=N)N)NO;ZSXKFHNKKKXNKL-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245637;MM245637;N=C(N)C(N)CC(=O)NO;GZKBAKROVXIHHL-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245638;MM245638;CN=C(N)CC(N)C(N)=O;UIRFMKJHXBYNRQ-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245639;MM245639;C=C(C)C(O)CC(=N)NN;KVALWVZMWHGNRH-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245640;MM245640;C=C(C)C(O)CC(=N)NO;OPJKVSNKXZCWSB-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245641;MM245641;C=C(C)C(O)CC(=O)NC;BESJCFFVOYPJFY-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245642;MM245642;CCOCON=C(C)NO;DGJAOTVSZFJVBX-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245643;MM245643;C=C(C)C(O)CC(=O)NO;ISDNNSXRBUUHKR-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245644;MM245644;CNC(=O)CC(O)C(C)=O;UCBOQUVGXAHUAO-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245645;MM245645;CC(=O)C(O)CC(=O)NO;NGXXIGASFNDEHI-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245646;MM245646;CNC(=N)CC(O)C(=N)N;AMWMCGZNOBCAQX-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245647;MM245647;N=C(CC(O)C(=N)N)NN;GMUYWLITFMCUHQ-UHFFFAOYSA-N;145.17;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245648;MM245648;N=C(CC(O)C(=N)N)NO;QOINTQPJMGHHHZ-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245649;MM245649;CNC(=O)CC(O)C(=N)N;NIGSPKCQCVTXDE-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245650;MM245650;N=C(N)C(O)CC(=O)NN;PMVBFFCSUAWNMA-UHFFFAOYSA-N;146.15;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245651;MM245651;N=C(N)C(O)CC(=O)NO;BLLUJDVYCDQRJC-UHFFFAOYSA-N;147.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245652;MM245652;CN=C(N)CC(O)C(N)=O;ZSAPJFZQJNAMDN-UHFFFAOYSA-N;145.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245653;MM245653;NN=C(N)CC(O)C(N)=O;MXQZVMZEPPHNNE-UHFFFAOYSA-N;146.15;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245654;MM245654;N=C(CC(O)C(N)=O)NO;ORZSJUOVKWNMER-UHFFFAOYSA-N;147.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245655;MM245655;CNC(=O)CC(O)C(N)=O;AFNFTEAHFDHSIZ-UHFFFAOYSA-N;146.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245656;MM245656;O=c1[nH]oc2nc(O)nn12;OOJFMXWEOWMPTG-UHFFFAOYSA-N;142.07;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245657;MM245657;ON=c1oc(O)c(F)n1O;JILQLOPGVGDDAR-UHFFFAOYSA-N;150.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245658;MM245658;CONC(=O)CO;QHJPTZAQPQHLAP-UHFFFAOYSA-N;105.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245659;MM245659;C=C(F)C(O)CC(=O)NC;RSELFFULMWNJCP-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245660;MM245660;C=C(C)C(F)CC(=N)NC;CRDCQJQITSGMSW-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245661;MM245661;C=C(C)C(F)CC(=N)NO;RPLKSJYHNFQYEW-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245662;MM245662;C=C(C)C(F)CC(=O)NO;HTUIRKNIWLARFN-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245663;MM245663;CN=C(N)CC(F)C(C)=O;JVNBWGUKBOAFRN-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245664;MM245664;CNC(=O)CC(F)C(C)=O;FWGBOWPYWFYXKE-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245665;MM245665;CNC(=N)CC(F)C(=N)N;ANHNWKCPRLZYFS-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245666;MM245666;C=C(F)C(F)CC(=N)NN;UQSDJPYFZSOYCG-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245667;MM245667;C=C(F)C(F)CC(=O)NC;CEGSYFHFXSVYMP-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245668;MM245668;C=COCON=C(C)NO;QVUDJBXILBTTBM-UHFFFAOYSA-N;146.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245669;MM245669;C=C(CC(C)C(=C)C)OC;AXMABZYHQKRXLV-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245670;MM245670;C=C(CC(C)C(C)=O)OC;SLFHSUSDWGSZIE-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245671;MM245671;COC(=O)CC(C)C(=N)N;KNCVZDWLCJLFBU-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245672;MM245672;CC(=NOCOC=O)NO;HRRZKZMGAFFGOX-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245673;MM245673;COC(=O)CC(C)C(N)=O;AJNNDYGTNZDQRE-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245674;MM245674;C=Cc1nc(F)c(O)o1;MZBSXJGCHSDTJJ-UHFFFAOYSA-N;129.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245675;MM245675;C=C(CC(N)C(=C)C)OC;AWSBIMWAIIFIBZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245676;MM245676;COC(=O)CC(N)C(=N)N;LEGKRKCZCQPVGL-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245677;MM245677;C=C(CC(O)C(=C)C)OC;FZYMODXRBIQTPC-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245678;MM245678;C=C(CC(O)C(=N)N)OC;FLMRARGGHYJGMK-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245679;MM245679;COC(=O)CC(O)C(=N)N;WYQDARPORUDGIM-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245680;MM245680;C=C(CC(O)C(N)=O)OC;ZYALHTMMLCCMIG-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245681;MM245681;COC(=O)CC(O)C(N)=O;PZXWFIGCBLAUDJ-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245682;MM245682;C=C(CC(F)C(=C)C)OC;BHYBMCFHTPBWLN-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245683;MM245683;C=C(C)C(F)CC(=O)OC;YIFYNYHPQGHFCI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245684;MM245684;COC(=O)CC(F)C(C)=O;RGWRODDDEZKCAR-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245685;MM245685;Cc1c(O)noc1C=O;CHPJBSSCVJILOR-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245686;MM245686;C=C(C)C(C)NC(=N)CC;HKMVVECSWHCHDO-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245687;MM245687;C#CCCON=C(C)NO;DKXOQPICIXGMGA-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245688;MM245688;CCC(=N)NC(C)C(=N)N;BWRFQZDMHAFMFE-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245689;MM245689;C=C(C)C(C)NC(=N)NC;LLJZCYXRMQVYJA-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245690;MM245690;CC(=O)C(C)NC(=N)NO;HDEDRMTYJFXARS-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245691;MM245691;CNC(=O)NC(C)C(=N)N;IWLPIWXIQZWAAU-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245692;MM245692;C=C(F)C(C)NC(=N)NC;PEJLCSUYZIXHLC-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245693;MM245693;CC(=NOCC=NN)NO;MNZRFIKWAAOLFR-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245694;MM245694;C=C(F)C(C)NC(=O)NO;HABFSCWTGDAORM-UHFFFAOYSA-N;148.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245695;MM245695;COC(=O)NC(C)C(=O)O;JAFZODJINWJNPZ-UHFFFAOYSA-N;147.13;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245696;MM245696;C=C(CC)OC(C)C(=C)C;OTNXUQYWWBNATO-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245697;MM245697;C=C(CN)OC(C)C(=C)C;WHNSLOGWGPVRTR-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245698;MM245698;C=C(CO)OC(C)C(=C)C;SUMHEVCKWOYWQL-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245699;MM245699;C=C(C)C(C)OC(=O)CF;RWQYYUSMQJFXNA-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245700;MM245700;CC(=O)C(C)OC(=O)CO;MZHGIIYAARUXIX-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245701;MM245701;C=C(CN)OC(C)C(=N)N;FTHSUQMFEAJCSW-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245702;MM245702;CC(OC(=O)CO)C(=N)N;APPPRMVAKOVFDW-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245703;MM245703;C=C(CF)OC(C)C(N)=O;CSIQBAUNUZEFQT-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245704;MM245704;CCC(=O)OC(C)C(N)=O;WNJUJMHBANMFTM-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245705;MM245705;C=NN=C(C)C(C#N)=NO;IYTNBPQGAUCBHD-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245706;MM245706;O=C(O)C=CC=CCCO;AHISJHFFLDNLKL-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245707;MM245707;C=C(F)C(C)OC(=O)CF;DRQAHDNVMATTDL-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245708;MM245708;C=C(C)C(C)OC(=N)NC;VPGDLEAQNVYXCL-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245709;MM245709;C=C(C)C(C)OC(=O)NC;HYNSWOORBRIGHA-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245710;MM245710;CNC(=O)OC(C)C(C)=O;NLZQGVAYNFKFKZ-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245711;MM245711;CNC(=N)OC(C)C(=N)N;XOAFJDHZDZOGNM-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245712;MM245712;CC(OC(=N)NO)C(=N)N;NNPURIJRBXXDFC-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245713;MM245713;CC=C(C=CC(=O)O)CO;RRHHESVJYCKZFN-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245714;MM245714;Nc1nnnc(=O)c(=O)[nH]1;QRYLDPOCYNWBJH-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245715;MM245715;COC(=O)OC(C)C(=N)N;LUIMVEPDWWBXLL-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245716;MM245716;COC(=O)OC(C)C(N)=O;ALNJZFOYMOFKEG-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245717;MM245717;C=C(F)C(C)OC(=O)OC;WCRNXQFJPHFDKC-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245718;MM245718;C=C(CC)CN(C)C(C)=N;IPRIGWFLVIUSPV-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245719;MM245719;C=C(CC)CN(C)C(C)=O;WSDBHLAWRFCSPD-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245720;MM245720;C=C(CN)CN(C)C(C)=O;VYHDXRRZXDWASC-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245721;MM245721;C=C(CO)CN(C)C(C)=O;IJAVWYGPTXJBGF-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245722;MM245722;CC(=O)N(C)CC(=O)CO;NKWAYSGXQAKVCX-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245723;MM245723;C=C(CN)CN(C)C(=N)N;FJXCKWJSURPIMP-UHFFFAOYSA-N;142.21;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245724;MM245724;C=C(CO)CN(C)C(=N)N;QLDUCDDNYYAKCS-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245725;MM245725;CN(CC(=O)CF)C(=N)N;HCZRJUNXDKXFDR-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245726;MM245726;C=C(CN)CN(C)C(N)=O;CPNWKDSPTGEKQE-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245727;MM245727;C=C(CF)CN(C)C(N)=O;NNSUCKONNMMCDO-UHFFFAOYSA-N;146.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245728;MM245728;CCC(=O)CN(C)C(N)=O;RMKWFKMAONHZFK-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245729;MM245729;CN(CC(=O)CO)C(N)=O;ZVYROFMVQNTYMJ-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245730;MM245730;CC#CCON=C(C)NO;ZKQGVNSBNHCUHP-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245731;MM245731;C=C(CF)CN(N)C(C)=O;PKCHFSNRZDJTBF-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245732;MM245732;C=C(CO)CN(N)C(=N)N;QTVVWYNYTSLBJO-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245733;MM245733;C=C(CO)NC=NN=CC;ILCJCWHCELJFDZ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245734;MM245734;C=C(CN)CN(O)C(C)=N;RLGSUSYGUDOZKG-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245735;MM245735;C=C(CN)CN(O)C(=N)N;QJWKKYKPDLXGDJ-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245736;MM245736;C=C(CO)CN(O)C(=N)N;JGYMLJXUMFPAPZ-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245737;MM245737;C=C(CN)CN(O)C(N)=O;SMYMLWJJOLZGQG-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245738;MM245738;C=C(CO)CN(O)C(N)=O;IDOKXKURPKNKNP-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245739;MM245739;CCC(=O)CN(O)C(N)=O;IQTISHKIQRWCTC-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245740;MM245740;NC(=O)N(O)CC(=O)CO;IKYGMUCDUKPQAY-UHFFFAOYSA-N;148.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245741;MM245741;NC(=O)N(O)CC(=O)CF;KBSPEHZXURNMBA-UHFFFAOYSA-N;150.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245742;MM245742;CC(=N)N(C)CC(=N)NN;UGJDFPUZYXCDAD-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245743;MM245743;CC(=N)N(C)CC(=N)NO;CGWVFPNTHZOBGP-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245744;MM245744;CNC(=O)CN(C)C(C)=O;UXNHSCSOCKZTDI-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245745;MM245745;CCN(O)C=NC=NNC;UTBJTEZIWFVUKG-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245746;MM245746;CNC(=N)CN(C)C(=N)N;NLWXDOQYBSYOCS-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245747;MM245747;CN(CC(=N)NN)C(=N)N;NUESERADKKACJU-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245748;MM245748;CN(CC(=N)NO)C(=N)N;VYXKEKFKZGXXIA-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245749;MM245749;CNC(=O)CN(C)C(=N)N;CZFJCRKBAPPLTK-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245750;MM245750;CNC(=N)CN(C)C(N)=O;NMKAQOIEILJBCQ-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245751;MM245751;CN(CC(=N)NN)C(N)=O;VZZSKBBEMASCPN-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245752;MM245752;CNC(=O)CN(C)C(N)=O;FTUOXPIIJKOIJD-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245753;MM245753;CCN(O)C=NC=NC=N;IPEYWGXNLBJLBM-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245754;MM245754;CC(=N)N(N)CC(=N)NO;ILSPKEUPZXEYQE-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245755;MM245755;CNC(=O)CN(N)C(C)=N;STHMRUBNTVPMCS-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245756;MM245756;CC(=N)N(N)CC(=O)NN;RNRTXMQGSOEWCR-UHFFFAOYSA-N;145.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245757;MM245757;CC(=O)N(N)CC(=O)NO;KEMQURBJJXKEPS-UHFFFAOYSA-N;147.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245758;MM245758;CNC(=N)CN(N)C(=N)N;BKTBRQMYRCGZCT-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245759;MM245759;N=C(CN(N)C(=N)N)NN;YONMJEBNQKDVDZ-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245760;MM245760;N=C(CN(N)C(=N)N)NO;ZJDWHXOHVYKUCM-UHFFFAOYSA-N;146.15;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245761;MM245761;CNC(=O)CN(N)C(=N)N;WIVVXKVQUSSJJZ-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245762;MM245762;CNC(=N)CN(N)C(N)=O;COSLDPOBWZVLKP-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245763;MM245763;N=C(CN(N)C(N)=O)NN;KMBHSCUECGBRNM-UHFFFAOYSA-N;146.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245764;MM245764;C=NN=CN=CN(O)CC;RMWNOKXTUGXHHH-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245765;MM245765;CNC(=N)CN(O)C(C)=N;SYNPNFPIPOKULN-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245766;MM245766;CNC(=N)CN(O)C(=N)N;WVHCKGVSUNVBGN-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245767;MM245767;N=C(CN(O)C(=N)N)NN;FXWADEWPFXHOCZ-UHFFFAOYSA-N;146.15;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245768;MM245768;N=C(CN(O)C(=N)N)NO;SOPYGBFLCNQVOL-UHFFFAOYSA-N;147.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245769;MM245769;C=C(CN(C)C(=N)N)OC;JRUOKGKBPLCVDC-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245770;MM245770;COC(=O)CN(C)C(=N)N;JQIVVNGNZVUVJC-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245771;MM245771;C=C(CN(C)C(N)=O)OC;UTRLLUURPJIXMG-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245772;MM245772;COC(=O)CN(C)C(N)=O;LDMGHJBJAVQXGM-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245773;MM245773;C=C(CN(N)C(C)=N)OC;RPXPCGJDEYTSSV-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245774;MM245774;COC(=O)CN(N)C(C)=N;GVZLFSWYPOJNJN-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245775;MM245775;C=C(CN(N)C(=N)N)OC;YFWIWZFKYFYNQR-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245776;MM245776;COC(=O)CN(N)C(=N)N;QZDNGZPAGUMBIC-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245777;MM245777;C=NNC(CO)C(C)CO;YRPQYVQZUBGJHI-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245778;MM245778;C#CC(OC=O)C(=N)NO;GSYSXDBQHUYPJB-UHFFFAOYSA-N;142.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245779;MM245779;C=C(CN(O)C(=N)N)OC;FMGWQURRMIPZFZ-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245780;MM245780;COC(=O)CN(O)C(=N)N;VGGXCYLAYANJCS-UHFFFAOYSA-N;147.13;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245781;MM245781;C=C(CN(O)C(N)=O)OC;FHACBVYZPOHKCV-UHFFFAOYSA-N;146.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245782;MM245782;CNN=C(NO)C(C)C=O;ZKBHNCMZOPAVEM-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245783;MM245783;CCC(=N)NN(C)C(=N)N;AFTOGRKDHWIIQQ-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245784;MM245784;CN(NC(=O)CO)C(=N)N;GOFSQXVJNUVFIO-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245785;MM245785;CCC(=N)NN(C)C(N)=O;FGTMHIXWLQSOTC-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245786;MM245786;CN(NC(=N)CN)C(N)=O;NGPDMZCAAFYCBM-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245787;MM245787;C#CC(C)C(=NNC)NO;DNRSVHHHAJJIHF-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245788;MM245788;CCC(=O)NN(C)C(N)=O;AMAFENWETUWEFF-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245789;MM245789;CN(NC(=O)CO)C(N)=O;CJYHQMLBQPVMHC-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245790;MM245790;CN(NC(=O)CF)C(N)=O;OFIUXMAMAVBUBX-UHFFFAOYSA-N;149.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245791;MM245791;CNC(=N)NN(C)C(C)=N;BMPYCQKASYZHJJ-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245792;MM245792;CC(=N)N(C)NC(=N)NO;LERWCHIYZIQDQZ-UHFFFAOYSA-N;145.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245793;MM245793;CNC(=O)NN(C)C(C)=N;WQLJHZVNKNFJCX-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245794;MM245794;CNC(=N)NN(C)C(C)=O;MVVOLMMQBVTFSC-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245795;MM245795;CNC(=O)NN(C)C(C)=O;NRQKRGWEKURCFC-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245796;MM245796;CC(=O)N(C)NC(=O)NN;GWPFLWDFJGAILM-UHFFFAOYSA-N;146.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245797;MM245797;CC(=O)N(C)NC(=O)NO;GGRZTWPPWKYNJN-UHFFFAOYSA-N;147.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245798;MM245798;CNC(=N)NN(C)C(=N)N;WWTREAORGUIYDU-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245799;MM245799;CN(NC(=N)NN)C(=N)N;PFMJDIYHGIHRDL-UHFFFAOYSA-N;145.17;-2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245800;MM245800;CNC(=N)NN(C)C(N)=O;HGYFSLLENISOFL-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245801;MM245801;CN(NC(=O)NN)C(N)=O;DVSSNOUEQZWEEF-UHFFFAOYSA-N;147.14;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245802;MM245802;CN(NC(=O)NO)C(N)=O;NQHUQEVZXVJHHD-UHFFFAOYSA-N;148.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P5";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245803;MM245803;COC(=N)NN(C)C(C)=N;XFBOTSUIZCZCKV-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245804;MM245804;COC(=O)NN(C)C(=N)N;UBRZMNYSQBDYOS-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245805;MM245805;COC(=O)NN(C)C(N)=O;URHGTNRTFLCOLM-UHFFFAOYSA-N;147.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245806;MM245806;CCC(=O)ON(C)C(=N)N;JBYFKBNUGARCNI-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245807;MM245807;CC(=N)N(C)OC(=N)NN;GIZPJQKTJMRBNJ-UHFFFAOYSA-N;145.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245808;MM245808;CC(=N)N(C)OC(=N)NO;HHENPLRPKKMEOG-UHFFFAOYSA-N;146.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245809;MM245809;CC=C(F)C(=NNC)NO;ZCLWJJUIHCEZAW-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245810;MM245810;C=CC(=C)CC(C)C(=C)C;DWPSJXSWOHSZTO-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245811;MM245811;C=C(C=O)CC(C)C(=C)C;HCWRZUUHPJRJPZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245812;MM245812;C=C(C#N)CC(C)C(=C)C;ZDGQKFWKEOKORN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245813;MM245813;C=CC(=O)CC(C)C(=C)C;GMAFLWZFVDYRCQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245814;MM245814;C=CC(=C)CC(C)C(C)=O;DQWYMDZAONDDMR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245815;MM245815;C=C(C=O)CC(C)C(C)=O;DHSKLQOODZWTQA-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245816;MM245816;C=C(C#N)CC(C)C(C)=O;NAZJSMLTYIIOQL-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245817;MM245817;C=CC(=O)CC(C)C(C)=O;MRAAEJQDAPAWOU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245818;MM245818;CC(=O)C(C)CC(=O)C=O;OQVWZUJTEJWTRL-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245819;MM245819;C=CC(=C)CC(C)C(=N)N;UGFAUFYCSSLQJB-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245820;MM245820;CON=C(OC)C(=N)NO;PADHIKOAOCUPBG-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245821;MM245821;C=NNCC(=NNC)NO;WTSYRNQZKZERFH-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245822;MM245822;C=C(C#N)CC(C)C(N)=O;WUOXOEXYHINZSQ-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245823;MM245823;CC(CC(=O)C#N)C(N)=O;RTYHUGXMIRLSNP-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245824;MM245824;C=CC(=C)CC(C)C(=O)O;HTUJWKJPTCGMBU-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245825;MM245825;C=C(C#N)CC(C)C(=O)O;QIGNSPRPHSCENM-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245826;MM245826;C=C(C=CC(=O)O)C(C)O;ORKQMBAPEHFWPY-UHFFFAOYSA-N;142.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245827;MM245827;C=CC(=O)CC(C)C(=C)F;WZXJMHVGVBDKLX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245828;MM245828;C=C(F)C(C)CC(=O)C#N;LFMXVCYVLASNOP-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245829;MM245829;C=CC(=C)CC(N)C(=C)C;AYNYNCDBSQSLMN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245830;MM245830;C=NN=C(CCOC)NO;PWYAIVQUQQKQKX-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245831;MM245831;C=C(C=O)CC(O)C(C)=O;WBVPVLPXCKJBFY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245832;MM245832;C=CC(=O)CC(O)C(C)=O;LVBIXLSCKNGDAF-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245833;MM245833;CC(=O)C(O)CC(=O)C=O;CLPDOVMSDUESLY-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245834;MM245834;C=C(C=O)CC(O)C(=N)N;CWYUDSRFZLNGJT-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245835;MM245835;C=C(C#N)CC(O)C(=N)N;CNDFTNCVFICOGX-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245836;MM245836;C=CC(=O)CC(O)C(=N)N;UISQWJJFBSSUMU-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245837;MM245837;N=C(N)C(O)CC(=O)C=O;ILKJHFJEQCQKBR-UHFFFAOYSA-N;144.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245838;MM245838;N#CC(=O)CC(O)C(=N)N;IEJQMSQXOMAILL-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245839;MM245839;C=C(C=O)CC(O)C(N)=O;SMIGAISIMBPJKD-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245840;MM245840;C=C(C#N)CC(O)C(N)=O;SJRCPMTVPVYXDT-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245841;MM245841;C=CC(=O)CC(O)C(N)=O;USAKKJRDZQLVHS-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245842;MM245842;NC(=O)C(O)CC(=O)C=O;DOWLKJKPYIBOAM-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245843;MM245843;N#CC(=O)CC(O)C(N)=O;QSJGODPKZDLFGC-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245844;MM245844;N=c1nc(O)n(O)oc1=O;MAQNCTFLSVJORZ-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245845;MM245845;CCC=NOC(C#N)=NO;IOSOPSXKYRVINY-UHFFFAOYSA-N;141.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245846;MM245846;Cc1nc(=O)n(N)nc1O;DYKJCWNEFDWCJK-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245847;MM245847;C=C(C=O)CC(F)C(=C)C;AEIHEUGDJHARRE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245848;MM245848;C=CC(=C)CC(F)C(C)=O;KTJLVBMFAJQPTA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245849;MM245849;C=C(C=O)CC(F)C(N)=O;XQZBRFQPCLXFBO-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245850;MM245850;C=CC(=O)CC(F)C(N)=O;VDGUEKZOMKQWQH-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245851;MM245851;NC(=O)C(F)CC(=O)C=O;LEDCPUJLVVQFKQ-UHFFFAOYSA-N;147.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245852;MM245852;C=CC(=C)CC(F)C(=O)O;CJBSTLUZTVQIQP-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245853;MM245853;C=C(F)C(F)CC(=O)C=O;BHYHMMLXDRVBPL-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245854;MM245854;C=CC(=N)NC(C)C(=C)C;BURURHSXVOAMNQ-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245855;MM245855;C=C(C)C(C)N=C(N)C=O;DWAORKKPLYXUPV-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245856;MM245856;C=C(C)C(C)NC(=O)C#N;OKSXCBLDAIUEQC-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245857;MM245857;CC#CCC(=NNC)NO;NEQMGNPSZHMBDY-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245858;MM245858;CC(=O)C(C)NC(=O)C=O;MOOPRKZPBTZSFT-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245859;MM245859;C=CC(=N)NC(C)C(=N)N;UOOIBZUTKWEZDK-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245860;MM245860;CC(NC(=N)C#N)C(=N)N;ZCSTWPXKUZBVFK-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245861;MM245861;CC(NC(=O)C=O)C(=N)N;UGGUPIKXQFXPNX-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245862;MM245862;CC(NC(=O)C#N)C(=N)N;CDTQLPFSJZHDJI-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245863;MM245863;CNc1noc(O)c1C;ITGXDWUWSRVORT-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245864;MM245864;C=C(F)C(C)NC(=O)C#N;OXFAYNRTKRNDHX-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245865;MM245865;C=CC(=C)OC(C)C(=C)C;IQQGLOHUNUQKNY-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245866;MM245866;C=C(C#N)OC(C)C(=C)C;YZSGKZBYIFNWSU-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245867;MM245867;C=CC(=C)OC(C)C(C)=O;MKYSNFCTMBETRG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245868;MM245868;C=C(C#N)OC(C)C(C)=O;DYTMVOFGGQPCRX-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245869;MM245869;Nn1oc(=O)c(F)c1O;ICWQNVVGSDGFEA-UHFFFAOYSA-N;134.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245870;MM245870;C=CC(=C)CN(C)C(C)=N;VYMUZATUKFOTCF-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245871;MM245871;C=C(C=O)CN(C)C(C)=N;FDPMVVKNZSSNSP-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245872;MM245872;C=CC(=C)CN(C)C(C)=O;MLZXTGRRRWTRFC-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245873;MM245873;C=C(C=O)CN(C)C(C)=O;YHLRHSWFGHZKRQ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245874;MM245874;CNN=CC(=NOC)NO;AGHOUMHIULJLNF-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245875;MM245875;CC(=O)N(C)CC(=O)C=O;KFPZWSLZCSFIBQ-UHFFFAOYSA-N;143.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245876;MM245876;CC(=O)N(C)CC(=O)C#N;PCFAAORBSBTVOE-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245877;MM245877;C=CC(=C)CN(C)C(=N)N;FSZNQGNENCVFMC-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245878;MM245878;C=C(C=O)CN(C)C(=N)N;XCFUDWXAEOQRNU-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245879;MM245879;C=C(C#N)CN(C)C(=N)N;KERMJYAWKVOWCE-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245880;MM245880;C=C(C=O)CN(C)C(N)=O;IADYQKMBRAEWRI-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245881;MM245881;C=CC(=O)CN(C)C(N)=O;FVCFPYVNPHECEX-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245882;MM245882;CN(CC(=O)C#N)C(N)=O;MBDSKQSLWWRXLY-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245883;MM245883;C=C(C=O)CN(O)C(C)=N;JGHLPOGTXFQESM-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245884;MM245884;C=C(C=O)CN(O)C(=N)N;CZEBCRCBWLAVMA-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245885;MM245885;C=C(C#N)CN(O)C(=N)N;HIPRAGVUGBVUEQ-UHFFFAOYSA-N;140.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245886;MM245886;C=CC(=O)CN(O)C(=N)N;XKHDXBJZAMLFCO-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245887;MM245887;C=C(C=O)CN(O)C(N)=O;FQQHKUWINKMTAS-UHFFFAOYSA-N;144.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245888;MM245888;C=C(C#N)CN(O)C(N)=O;WBQJDEBFSWWUDY-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245889;MM245889;C=CC(=O)CN(O)C(N)=O;OBJUWYCIUXVGTO-UHFFFAOYSA-N;144.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245890;MM245890;NC(=O)N(O)CC(=O)C=O;DQVWBQPGUHZMFS-UHFFFAOYSA-N;146.1;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245891;MM245891;CC(=N)N(C)NC(=O)C#N;UIYNAMZBPYMBAG-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245892;MM245892;C=CC(=N)NN(C)C(=N)N;MPXBJNZDXKEVMW-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245893;MM245893;CN(N=C(N)C=O)C(=N)N;LHCPSGSHHMKWIM-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245894;MM245894;C=CC(=O)NN(C)C(=N)N;QZVCIBOYJDHFTD-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245895;MM245895;CN(NC(=O)C=O)C(=N)N;ZBKLHEFMNISEKU-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245896;MM245896;CN(NC(=O)C#N)C(=N)N;KPNYHEXABZTDBU-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245897;MM245897;C=CC(=N)NN(C)C(N)=O;MHBAKUWDLYFLRA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245898;MM245898;CN(N=C(N)C=O)C(N)=O;GHFTZNBDOUUGPH-UHFFFAOYSA-N;144.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245899;MM245899;N=C(NO)c1noc(=O)o1;XJEYCHAIFJQCJL-UHFFFAOYSA-N;145.07;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245900;MM245900;C=CC(=O)NN(C)C(N)=O;RTFARUXNLHNSTB-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245901;MM245901;CN(NC(=O)C=O)C(N)=O;YEMMVSMVZQXKNB-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245902;MM245902;CN(OC(=O)C=O)C(=N)N;CMHHMOZTKMIGKU-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245903;MM245903;CN(OC(=O)C=O)C(N)=O;WFKKRBBGEDEWEZ-UHFFFAOYSA-N;146.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245904;MM245904;C#CC(=C)CC(C)C(=C)C;KLFYZXBWORIUHN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245905;MM245905;C#CC(=O)CC(C)C(=C)C;ZDVJMXUOGPTIPZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245906;MM245906;C#CC(=C)CC(C)C(C)=O;QSNGFHMHWQMQGH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245907;MM245907;C#CC(=O)CC(C)C(C)=O;MPBXSBVYDUJVFT-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245908;MM245908;C#CC(=C)CC(C)C(=N)N;PFJLNJKYTRTSOY-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245909;MM245909;C#CC(=C)CC(C)C(=O)O;FRRHEAFNZIZVSX-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245910;MM245910;NN=c1nc(O)ncn1O;ZMKPVMVAJWSMQC-UHFFFAOYSA-N;143.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245911;MM245911;C#CC(=O)CC(C)C(=C)F;AWYVYARXAASAQE-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245912;MM245912;C#CC(=C)CC(N)C(=C)C;ACSLGOFBTYVEAS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245913;MM245913;C#CC(=O)CC(O)C(=C)C;WYFRWJSZVVIDNI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245914;MM245914;C#CC(=C)CC(O)C(C)=O;BDVGIYLLFWRTIJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245915;MM245915;C#CC(=C)CC(O)C(=N)N;UPGZCLGJCFXGDR-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245916;MM245916;C#CC(=O)CC(O)C(=N)N;GEXTZLNAOYTVKJ-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245917;MM245917;C#CC(=O)CC(O)C(N)=O;LETQPAZBDBHONM-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245918;MM245918;C#CC(=O)CC(F)C(=C)C;XPUYPTRQCSVKEA-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245919;MM245919;C#CC(=C)CC(F)C(C)=O;VADUQGFNQCFQIA-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245920;MM245920;C#CC(=C)CC(F)C(N)=O;JTABZAQJKCKLJO-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245921;MM245921;C#CC(=O)CC(F)C(=C)F;HHSBWHQCTGEBFV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245922;MM245922;C#CC(=O)NC(C)C(C)=O;MMXWRHQOWXUPQV-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245923;MM245923;C#CC(=O)NC(C)C(=N)N;OCXYVWZFJMKHKB-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245924;MM245924;Nn1c(O)cc(F)nc1=O;SHSHWJZNUNWELY-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245925;MM245925;C#CC(=O)NC(C)C(=C)F;LZNJJEBZIFVBAH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245926;MM245926;C#CC(=C)OC(C)C(=C)C;KSOVKULMJGPZDE-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245927;MM245927;C#CC(=O)CN(C)C(=N)N;GKAFRQWDCZTXLS-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245928;MM245928;C#CC(=O)CN(C)C(N)=O;FGEVLLZYHSGECF-UHFFFAOYSA-N;140.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245929;MM245929;C#CC(=C)CN(N)C(=N)N;FFTBIPRHQBSXAW-UHFFFAOYSA-N;138.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245930;MM245930;C#CC#Cc1nc(N)c[nH]1;XIOBGJBGXRWVOV-UHFFFAOYSA-N;131.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245931;MM245931;C#CC(=C)CN(O)C(=N)N;ILIFEDKVNMLHHG-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245932;MM245932;C#CC(=C)CN(O)C(N)=O;AQVWJLWTSVHGRJ-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245933;MM245933;C#CC(=O)CN(O)C(N)=O;WBODIVWKBKUIRU-UHFFFAOYSA-N;142.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245934;MM245934;C#CC(=O)NN(C)C(C)=N;QEOWHXCHZHJTNR-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245935;MM245935;Nc1noc(=O)nc1NO;FZOOHYBHVHDXGR-UHFFFAOYSA-N;144.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245936;MM245936;C#CC(=O)NN(C)C(=N)N;LQHBMKDBSLMLDT-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245937;MM245937;C#CC(=O)NN(C)C(N)=O;GVXAORQBPSDJFH-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245938;MM245938;C=C(CC(C)CC)C(C)C;AKKUQYHFBBFVHA-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245939;MM245939;C=C(CC(C)CN)C(C)C;YJEJOWMZAFWCFE-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245940;MM245940;NN=c1on(N)cc1CO;HGRDOWFDZMWGLG-UHFFFAOYSA-N;144.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245941;MM245941;C=C(CC(C)CF)C(C)C;BNTWAEQLMVJJNE-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245942;MM245942;C=C(CC(N)CC)C(C)C;CAUFDQPYECYAOU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245943;MM245943;C=C(CC(N)CN)C(C)C;UWFOCBWTRZHLOH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245944;MM245944;C=C(CC(N)CO)C(C)C;ZPSKZMQRGDEDTF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245945;MM245945;C=C(CC(N)CF)C(C)C;BPXOGMBTDIFACF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245946;MM245946;CNN(C=O)C(C=O)CO;SRAXHPZMGKHFHC-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245947;MM245947;C=C(CC(O)CN)C(C)C;HBAVASFUNNQPTG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245948;MM245948;C=C(CC(O)CO)C(C)C;INUOCBXFRXFAOF-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245949;MM245949;C=C(CC(O)CF)C(C)C;FJFKRYVNQUKLAE-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245950;MM245950;C=C(CC(F)CC)C(C)C;MBQRDUBMTDJEMM-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245951;MM245951;C=C(CC(F)CN)C(C)C;KTOCKKQANSZOTH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245952;MM245952;C=C(CC(F)CO)C(C)C;JOOYLJGHZNMNGK-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245953;MM245953;C=C(CC(F)CF)C(C)C;KXOXXDBJDCFIHG-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245954;MM245954;C=C(CC(C)CC)C(C)N;UVTNFSWLYLOIHR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245955;MM245955;C=C(CC(C)CN)C(C)N;CXEOPUGZCJUCBG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245956;MM245956;C=C(CC(C)CO)C(C)N;WUKYERVIJZLOTD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245957;MM245957;C=C(CC(C)CF)C(C)N;ZHZSMZBWUFDKPA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245958;MM245958;C=C(CC(N)CN)C(C)N;FXRGQEVXSYRKJE-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245959;MM245959;C=C(CC(N)CO)C(C)N;KAMUZQJVKMICSW-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245960;MM245960;C=C(CC(N)CF)C(C)N;SCVKWUUCSKHSOB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245961;MM245961;C=C(CC(O)CC)C(C)N;ZYNSXXDZMQLWJD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245962;MM245962;C=C(CC(O)CN)C(C)N;DDUASAMQZMTOBO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245963;MM245963;C=C(CC(O)CO)C(C)N;RUGFMASWWQFKBH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245964;MM245964;C=C(CC(O)CF)C(C)N;NMJVRWVWNNIARY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245965;MM245965;C=C(CC(F)CC)C(C)N;RPGYXBCRGKWRIU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245966;MM245966;C=C(CC(F)CN)C(C)N;PTLYSKWQPFTVDC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245967;MM245967;C=C(CC(F)CO)C(C)N;CQMKOOFLSSINLC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245968;MM245968;C#CC(CF)C(=NN)NO;SSEVMNNWQLJTQZ-UHFFFAOYSA-N;145.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245969;MM245969;C=C(CC(C)CN)C(C)O;XCOPLHIKEOCEGP-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245970;MM245970;C#CC(=NN)C(=NN)NO;VAHNBPWVWATSPT-UHFFFAOYSA-N;141.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245971;MM245971;O=CC(CO)NN=CCF;BDICHRAWWKTEBF-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245972;MM245972;C=C(CC(N)CC)C(C)O;ZGLWOTYVGUQGPQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245973;MM245973;C=C(CC(N)CN)C(C)O;RONQODZHYBMNTJ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245974;MM245974;C=C(CC(N)CO)C(C)O;LQHOOLHAXLNDNJ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245975;MM245975;C=C(CC(O)CC)C(C)O;CWFGUNWQMZTSBV-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245976;MM245976;C=C(CC(O)CN)C(C)O;YDXNAVPBLRLSMA-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245977;MM245977;C=C(CC(O)CO)C(C)O;OLIHEXQDZVKDOS-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245978;MM245978;C=C(CC(O)CF)C(C)O;UCBXUWXJWWKJHC-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245979;MM245979;C=C(CC(F)CC)C(C)O;DTXXINYJTXGYOY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245980;MM245980;C=C(CC(F)CN)C(C)O;ABOSTTAWRILYEP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245981;MM245981;C=C(CC(F)CO)C(C)O;DCGXDABWQZWXSS-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245982;MM245982;C=C(CC(F)CF)C(C)O;AUZZDPOEBXGZDG-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245983;MM245983;C=C(CC(C)CN)C(C)F;KANIITMFYCHATN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245984;MM245984;C=C(CC(N)CC)C(C)F;WYRCNSKGMUJMGZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245985;MM245985;C=C(CC(N)CF)C(C)F;YISWNMCSQZLWKX-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245986;MM245986;C=C(CC(O)CC)C(C)F;SRHLNWVCTONFGW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245987;MM245987;C=C(CC(F)CC)C(C)F;UHKRHJMYKPJYJQ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245988;MM245988;C=C(CC(C)CF)C(F)F;SQFJCRZARHJISF-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245989;MM245989;C=C(CC(O)CO)C(F)F;FDKMFGDWPYSHTR-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245990;MM245990;CCC(C)CC(=O)C(C)C;DCLDMUUIFULKAP-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245991;MM245991;CC(CO)CC(=O)C(C)C;QMZMLNPWYJQXGK-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245992;MM245992;CC(CF)CC(=O)C(C)C;WKTIPNOUFGZKEJ-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245993;MM245993;CCC(O)CC(=O)C(C)C;BOTUCHGRKXKXNG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245994;MM245994;CCC(F)CC(=O)C(C)C;JHVVPRMZXSBQCB-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245995;MM245995;CCC(C)CC(=O)C(C)O;IIMJMSLFTRIXNA-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245996;MM245996;CC(CF)CC(=O)C(C)F;UTFSAWKMJBXGEK-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245997;MM245997;O=C(CC(O)CO)C(F)F;KGJHVZAZQZWVRI-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245998;MM245998;CCC(F)CC(=O)C(F)F;VSGDGSIERFXZSR-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM245999;MM245999;C=C(CC(C)NC)C(C)C;KZYGBKDTRLYYIS-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246000;MM246000;C=C(CC(C)NC)C(C)F;SSJFIIWPRAXVIT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246001;MM246001;C=C(CC(C)NC)C(F)F;GRLXFLDQROKKBI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246002;MM246002;CNC(C)CC(=O)C(C)C;IOAJEKFSEVFJDT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246003;MM246003;CNC(C)CC(=O)C(C)O;TXNHPENHCORJEF-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246004;MM246004;C=C(CC(C)OC)C(C)N;PMQWCXPICQLGJE-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246005;MM246005;COC(C)CC(=O)C(C)O;QWDVVJSZKNALGC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246006;MM246006;CC(CN)NC(=N)C(C)N;KCMLLOFONFMVDQ-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246007;MM246007;CC(CO)NC(=N)C(C)N;KNFGQBWBCWSHMR-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246008;MM246008;CCC(C)NC(=N)C(C)O;UAKFYDCTURBLKA-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246009;MM246009;CC(CN)NC(=N)C(C)O;ONICPYHVZGKRDY-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246010;MM246010;CC(CO)NC(=N)C(C)O;YKESHGPZZVVYST-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246011;MM246011;COC=NNC(C=O)CO;JTFIOCYJWQSNKQ-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246012;MM246012;O=CC=NNC(C=O)CO;NEBITHMCFYFNNF-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246013;MM246013;CC(CN)NC(=O)C(C)C;AJSXMPINWJOIGI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246014;MM246014;CC(CO)NC(=O)C(C)O;KXBFLLVCUAQTJV-UHFFFAOYSA-N;147.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246015;MM246015;CC(CO)NC(=O)C(C)F;RTXHMWOPKLXLBC-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246016;MM246016;C=C(OC(C)CC)C(C)C;XAJRFKUYOLUIIB-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246017;MM246017;C=C(OC(C)CN)C(C)C;VIIDVYOYILSPEL-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246018;MM246018;C=C(OC(C)CO)C(C)C;SKCJSDLSGIQSLS-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246019;MM246019;C=C(OC(C)CF)C(C)C;AMMGEIFCOKIMOF-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246020;MM246020;C=C(OC(C)CN)C(C)O;JZPDSWIACDFMDA-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246021;MM246021;C=C(OC(C)CN)C(C)F;UUWLJDLECIOIRS-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246022;MM246022;CCC(C)OC(=O)C(C)C;HLIYSUDZNWPHKZ-UHFFFAOYSA-N;144.21;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246023;MM246023;CC(CO)OC(=O)C(C)C;FQYATHVYQAURTA-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246024;MM246024;CC(CN)OC(=O)C(C)F;NGYWSRFVEYKSDV-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246025;MM246025;CC(CF)OC(=O)C(F)F;XQCHBSPSLPAVNS-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246026;MM246026;C=C(OC(C)OC)C(C)C;BKSMDPXVXXTHGT-UHFFFAOYSA-N;144.21;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246027;MM246027;COC(C)OC(=O)C(C)C;COLXMASAUNUSCU-UHFFFAOYSA-N;146.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246028;MM246028;COC(C)OC(=O)C(C)O;RHQKBSKUHBIQHU-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246029;MM246029;C=C(CN(C)CC)C(C)C;OJYXVHZDHGBGHI-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246030;MM246030;CCN(C)NC(=N)C(C)C;NORAFMQLEYWKGX-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246031;MM246031;CCN(C)NC(=O)C(C)O;GVIXXHQZZHLDCW-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246032;MM246032;CCC(C)CC(=N)N(C)C;MRTTZISQQFBEID-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246033;MM246033;CN(C)C(=N)CC(N)CN;LXEKLCXXQSOMCT-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246034;MM246034;CN(C)C(=N)CC(N)CO;GZHODSTXFPLHOE-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246035;MM246035;CN(C)C(=N)CC(O)CO;XLEYEVVLFRHQOR-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246036;MM246036;CCC(C)CC(=N)N(C)N;RGLQRISCPDHHGB-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246037;MM246037;CCC(O)CC(=N)N(C)N;PGADBNJUUPIOSI-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246038;MM246038;CN(N)C(=N)CC(O)CO;SYPDHUIIFAFZOV-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246039;MM246039;CN(N)C(=N)CC(O)CF;CRABZHBCHFRLJW-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246040;MM246040;CN(N)C(=N)CC(F)CO;JYPQPSCYTDZGCU-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246041;MM246041;CN(N)C(=N)CC(F)CF;HHBGOAWVRLAFKR-UHFFFAOYSA-N;151.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246042;MM246042;CN(O)C(=N)CC(N)CN;YLUSXUCUZOPRHB-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246043;MM246043;CN(O)C(=N)CC(N)CO;PLBKCHITXTWRLT-UHFFFAOYSA-N;147.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246044;MM246044;CN(O)C(=N)CC(N)CF;OUVBALXBEGEJAJ-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246045;MM246045;CCC(O)CC(=N)N(C)O;AOYLMZAIUPAYMI-UHFFFAOYSA-N;146.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246046;MM246046;CN(O)C(=N)CC(O)CN;IOSXYUHQTLAOBP-UHFFFAOYSA-N;147.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246047;MM246047;CN(O)C(=N)CC(O)CO;OBKPRMFCKLZFJU-UHFFFAOYSA-N;148.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246048;MM246048;CN(O)C(=N)CC(F)CN;ISAZZQJECTZVOR-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246049;MM246049;CCC(C)CC(=O)N(C)C;GRQKXQAOEDQPKW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246050;MM246050;CC(CO)CC(=O)N(C)C;ZXUPESYOVWTLSM-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246051;MM246051;CCC(O)CC(=O)N(C)C;KOKWZBAYVKIHCV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246052;MM246052;COCCN=C(CF)NO;ZIEWGHOPKKETBJ-UHFFFAOYSA-N;150.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246053;MM246053;CN(C)C(=O)CC(F)CO;BNGGMVDHYLFFCF-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246054;MM246054;CCC(C)CC(=O)N(C)N;RUCWPAFUUCTXPP-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246055;MM246055;CC#CCN=C(CF)NO;CQWDJGMKZLVAEC-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246056;MM246056;CC(CF)CC(=O)N(C)N;RFGZYTRLEOPGAL-UHFFFAOYSA-N;148.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246057;MM246057;CCC(C)CC(=O)N(C)O;IYZRDPIAWHWDIA-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246058;MM246058;CC(CO)CC(=O)N(C)O;MSHFFGOWGJVKPG-UHFFFAOYSA-N;147.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246059;MM246059;CN(O)C(=O)CC(N)CN;MZSWATRTCNQNGR-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246060;MM246060;CN(O)C(=O)CC(O)CN;WBZLBTBRGADOFL-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246061;MM246061;CN(O)C(=O)CC(O)CO;WBDXCCLKLWMPEW-UHFFFAOYSA-N;149.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246062;MM246062;CNC(C)CC(=N)N(C)C;LEOQADXENIJCLP-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246063;MM246063;COC(C)CC(=N)N(C)N;HEKGNZWMNLLVJO-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246064;MM246064;COC(C)CC(=N)N(C)O;RKQVTYKRPKNUCS-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246065;MM246065;COC(C)CC(=O)N(C)O;LSBSPZGTONHEKZ-UHFFFAOYSA-N;147.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246066;MM246066;CCC(C)NC(=N)N(C)C;JALYUGYMITVSRG-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246067;MM246067;CC(CF)NC(=N)N(C)C;SSNKXWCAHLHERL-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246068;MM246068;CC(CO)NC(=N)N(C)O;FFZSESUPQZIOSD-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246069;MM246069;CC(CF)NC(=O)N(C)C;MXAIQRRZJAFJDM-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246070;MM246070;NN=C(NO)C(F)=CCF;ABPNFAQQUYYDAT-UHFFFAOYSA-N;151.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246071;MM246071;CC(CN)NC(=O)N(C)O;VYSJAOGMDCQXPF-UHFFFAOYSA-N;147.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246072;MM246072;CC(CO)NC(=O)N(C)O;UJKQPUAUMXEDGX-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246073;MM246073;CC(CF)NC(=O)N(C)O;GIKUXMFISBKIAB-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246074;MM246074;CCC(C)OC(=N)N(C)C;MOYFJMPERQJRBZ-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246075;MM246075;CC(CO)OC(=N)N(C)C;MYOVEOGGOYMVJH-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246076;MM246076;CC(CF)OC(=N)N(C)C;VDTOOHLHKVBRKQ-UHFFFAOYSA-N;148.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246077;MM246077;CC(CN)OC(=N)N(C)O;YPQRRPQFJBTXOP-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246078;MM246078;CCN(C)CC(=N)N(C)C;UWMDCXSLVXXIKN-UHFFFAOYSA-N;143.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246079;MM246079;CCN(C)NC(=N)N(C)O;ZPQJUINTWXZXFE-UHFFFAOYSA-N;146.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246080;MM246080;C=CC(C)CC(=C)C(C)C;YDUKJUXGHIZLBF-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246081;MM246081;C=C(CC(C)C=O)C(C)C;XONKZEBPATYFMO-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246082;MM246082;C=C(CC(C)C#N)C(C)C;QLRWPCHHLLQOLL-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246083;MM246083;C=CC(N)CC(=C)C(C)C;CUGHAKDUVJJPFJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246084;MM246084;CC1=C(C)OCC(NO)=N1;KWLLAWHNNNVINL-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246085;MM246085;C=C(CC(O)C#N)C(C)C;WWOBPZDWXUNTQN-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246086;MM246086;C=C(CC(F)C=O)C(C)C;GNVHJRWEJDEHEX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246087;MM246087;C=C(CC(F)C#N)C(C)C;VPTQJWSODLVBFP-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246088;MM246088;N#CC=C1CCN(O)C=N1;MJFYZCKUZODSDE-UHFFFAOYSA-N;137.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246089;MM246089;CCC1CCC(NO)=NO1;DEWZOZOHFXIETL-UHFFFAOYSA-N;144.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246090;MM246090;C=CC(N)CC(=C)C(C)O;HJAQDFSQUFCXCY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246091;MM246091;C=CC(F)CC(=C)C(C)O;VHEKSURSEQBKST-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246092;MM246092;C=C(CC(F)C=O)C(C)O;WNWDFOXMIIKONV-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246093;MM246093;C=C(CC(F)C#N)C(C)O;ZOVLMLCZDNQIAY-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246094;MM246094;C=C(CC(C)C=O)C(C)F;OTTNWMGYWJYHNR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246095;MM246095;C=CC(N)CC(=C)C(C)F;WPIJBJFATYRLPE-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246096;MM246096;C=CC(O)CC(=C)C(C)F;FELAGBLLVRFOOT-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246097;MM246097;C=C(CC(O)C#N)C(C)F;HGOVEBOIHYXXFG-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246098;MM246098;C=C(CC(C)C=O)C(F)F;XIEYMEPTUDQHRT-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246099;MM246099;C=CC(N)CC(=C)C(F)F;UMMWYJHJZVXNRT-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246100;MM246100;C=C(CC(O)C#N)C(F)F;XFRCNRBPQLAKOX-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246101;MM246101;C=CC(C)CC(=O)C(C)C;PRPHUQPTUCGIPR-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246102;MM246102;CC(C=O)CC(=O)C(C)C;ZZIMZYCYWCJJTB-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246103;MM246103;CC(C#N)CC(=O)C(C)C;YITMLCXOYIOTAB-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246104;MM246104;C=CC(O)CC(=O)C(C)C;ILBLMNADZXHBFO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246105;MM246105;C=CC(F)CC(=O)C(C)C;YODWYJBNKKLUIT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246106;MM246106;CC(C)C(=O)CC(F)C#N;YZTRWERDQWAUKZ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246107;MM246107;C=CC(C)CC(=O)C(C)O;FQKKYQOPERWYKH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246108;MM246108;CC(O)C(=O)CC(O)C=O;NQCARLFDGMDYQX-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246109;MM246109;CC(O)C(=O)CC(O)C#N;SWCSBUVRIMFCIT-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246110;MM246110;CC(O)C(=O)CC(F)C#N;HEVBQTHSSAWXKZ-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246111;MM246111;C=CC(C)CC(=O)C(C)F;XUZOBVQEYAJIIZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246112;MM246112;CC(F)C(=O)CC(O)C=O;KACQMSUJZPWERV-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246113;MM246113;C=CC(F)CC(=O)C(C)F;AYHLLOUXZXSZEW-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246114;MM246114;CC(F)C(=O)CC(F)C#N;MFBZOIILDMIMBP-UHFFFAOYSA-N;147.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246115;MM246115;C=CC(C)CC(=O)C(F)F;YRHKYSRBLOQMFS-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246116;MM246116;CC(C=O)CC(=O)C(F)F;UBONKISWQOEMOD-UHFFFAOYSA-N;150.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246117;MM246117;C=CC(C)NC(=N)C(C)C;VLFQSMQPLIIATR-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246118;MM246118;CC(C=O)NC(=N)C(C)C;OASGBQCADGLUDA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246119;MM246119;CC(C=O)NC(=N)C(C)O;NXDPNTRQHNRQRG-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246120;MM246120;COC1CCC(NO)=NO1;GBFHMZGYIRRDGW-UHFFFAOYSA-N;146.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246121;MM246121;C=CC(C)NC(=O)C(C)O;TXGJJVWMGFNEMQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246122;MM246122;CC(C=O)NC(=O)C(C)O;FTSQHWMFLSDOQZ-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246123;MM246123;CC(C#N)NC(=O)C(C)O;XIJZFBRDYOFFNE-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246124;MM246124;C=CC(C)OC(=C)C(C)C;ZYCXDGTYQJANCH-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246125;MM246125;C=C(OC(C)C=O)C(C)C;ZPFWMJYVUVQTGM-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246126;MM246126;C=C(OC(C)C#N)C(C)O;JZMVRLKLMXBFPA-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246127;MM246127;CC(C=O)OC(=O)C(C)O;JAJHZMLNDDZBFX-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246128;MM246128;C=C(CN(C)C=N)C(C)C;WTYFNWLDPJTBCA-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246129;MM246129;C=C(CN(C)C=O)C(C)C;OYCVDSFIGYJNSJ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246130;MM246130;C=C(CN(N)C=O)C(C)C;MYWVJDBSEMXOBZ-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246131;MM246131;C=C(CN(O)C=N)C(C)N;NQEPDIBLIKHHFR-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246132;MM246132;C=C(CN(C)C=N)C(C)O;LUSHPYFSAYVHQE-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246133;MM246133;C=C(CN(C)C=N)C(C)F;JOAYUKMOWGJXNR-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246134;MM246134;C=C(CN(C)C=O)C(C)F;VODZZIATEFLNBZ-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246135;MM246135;C=C(CN(N)C=N)C(C)F;OCAVJUVQWOSGBH-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246136;MM246136;CC(O)C(=O)CN(C)C=N;BBLATAQEUMFKRR-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246137;MM246137;CC(O)C(=O)CN(C)C=O;WCXOWPIIVAMHHI-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246138;MM246138;CN(C=N)CC(=O)C(F)F;QSBFRVPDIYZTEB-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246139;MM246139;C=NN(C)CC(=C)C(C)C;KPQUMIKIPQAVLK-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246140;MM246140;CCC1=NN=C(NO)CC1;OCUFVFNNBMXVHV-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246141;MM246141;CC(N)C(=N)NN(C)C=N;WTJBNMUWVYUIQM-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246142;MM246142;CC(N)C(=N)NN(C)C=O;BQVMNFCVYNHKSX-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246143;MM246143;CC(O)C(=N)NN(C)C=N;GKLDLEIKCWXAJN-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246144;MM246144;CC(O)C(=N)NN(C)C=O;FKCCHVAXNKNWTP-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246145;MM246145;CC(F)C(=N)NN(C)C=N;DNZKMRAMBQLBFP-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246146;MM246146;COC1=NN=C(NO)CC1;JSMCPSAMAZFRJI-UHFFFAOYSA-N;143.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246147;MM246147;CC(N)C(=O)NN(C)C=N;YCXKFWFPRHDXLK-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246148;MM246148;CC(O)C(=O)NN(C)C=N;CNPRJJXDNDWCRF-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246149;MM246149;CC(O)C(=O)NN(C)C=O;PWANKPKFHRJZSL-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246150;MM246150;CC(F)C(=O)NN(C)C=N;WRTAMOPHBWPNSU-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246151;MM246151;CC(O)C(=O)ON(C)C=O;BTJRNKOYMCIQAF-UHFFFAOYSA-N;147.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246152;MM246152;CC(C=O)CC(=N)N(C)C;QLYWPFJYRJYIAZ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246153;MM246153;C=CC(N)CC(=N)N(C)C;ICRLUQPVHQVZEY-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246154;MM246154;C=CC(O)CC(=N)N(C)C;RMINCXNGPXWDRT-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246155;MM246155;CN(C)C(=N)CC(O)C=O;PQEDFGDXEYFGBE-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246156;MM246156;C=CC(F)CC(=N)N(C)C;OJEKAUFBWSIILR-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246157;MM246157;CC(C=O)CC(=N)N(C)O;VPIWJGVCFBQCKY-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246158;MM246158;C=CC(N)CC(=N)N(C)O;CGCCVLVBHJHUDL-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246159;MM246159;CN(O)C(=N)CC(O)C#N;CKTFKHURDWCWPB-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246160;MM246160;CN(O)C(=N)CC(F)C#N;XWIPEEJSADIHFP-UHFFFAOYSA-N;145.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246161;MM246161;C=CC(C)CC(=O)N(C)C;DPFNHNJNPIFMCU-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246162;MM246162;CN(C)C(=O)CC(O)C#N;RTFLDRVFBIRARL-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246163;MM246163;CN(C)C(=O)CC(F)C#N;AWUGRYQHMNNXSV-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246164;MM246164;C=CC(C)CC(=O)N(C)N;ZZZYKDZZGUGLSH-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246165;MM246165;CCC12CN=C(NO)C1O2;JYUIJRLSFYRART-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246166;MM246166;CC(F)C(=N)NO;UKNUYDKSLZNKJC-UHFFFAOYSA-N;106.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246167;MM246167;C=CC(C)CC(=O)N(C)O;SERLOEGZOCQYRT-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246168;MM246168;C=CC(O)CC(=O)N(C)O;AGSMGZBSBSGIPQ-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246169;MM246169;CN(O)C(=O)CC(O)C=O;ODWXGSVETKXARY-UHFFFAOYSA-N;147.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246170;MM246170;C=CC(F)CC(=O)N(C)O;GZPXRZKPGPLGMQ-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246171;MM246171;C=CC(C)NC(=N)N(C)O;LUTNJJYBZJCUKQ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246172;MM246172;CC(C=O)NC(=O)N(C)O;YQDJMDHTBBNGQC-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246173;MM246173;CC(C=O)OC(=N)N(C)C;QRCMCRJFKKSVJH-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246174;MM246174;C=CC(C)OC(=O)N(C)N;DBTYWNQJKYUGGV-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246175;MM246175;CN(C=N)CC(=N)N(C)C;MDLZADAXWYDZJL-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246176;MM246176;CN(C=O)CC(=N)N(C)C;YTRAPRAFCPAAHW-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246177;MM246177;CN(C)C(=N)CN(N)C=N;OKYZUNDVYFCAJC-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246178;MM246178;CN(C)C(=N)CN(N)C=O;RNEMOYOHKHXMGW-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246179;MM246179;CN(C)C(=N)CN(O)C=N;SVACAOZYEHWIDV-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246180;MM246180;CN(C=O)CC(=N)N(C)N;ZUTRHGIDJVBGPG-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246181;MM246181;CN(N)C(=N)CN(N)C=N;GHZSCFZWLCBRJF-UHFFFAOYSA-N;144.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246182;MM246182;CN(N)C(=N)CN(N)C=O;JKWMSHPFOGHWOS-UHFFFAOYSA-N;145.17;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246183;MM246183;CN(C=N)CC(=N)N(C)O;ZVPYHFHUJACEFO-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246184;MM246184;CN(O)C(=N)CN(N)C=N;VONHCWYRYLXHBI-UHFFFAOYSA-N;145.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246185;MM246185;CN(C=N)CC(=O)N(C)C;LKPUJKLZZIMNLK-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246186;MM246186;CN(C=O)CC(=O)N(C)O;TXIDLPMTZAZCBN-UHFFFAOYSA-N;146.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246187;MM246187;C=NN(C)CC(=N)N(C)N;JULDCJLPPDOMOV-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246188;MM246188;CN(C=N)NC(=N)N(C)N;CAYBHYAQLRIJBH-UHFFFAOYSA-N;144.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246189;MM246189;CN(C=O)NC(=N)N(C)N;YHEFPNFNFUQQCK-UHFFFAOYSA-N;145.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246190;MM246190;CN(C=O)NC(=N)N(C)O;TZVGRINRAUFVBU-UHFFFAOYSA-N;146.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246191;MM246191;CN(C=N)NC(=O)N(C)C;CCMZWIVWNIUQAE-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246192;MM246192;CN(C=O)NC(=O)N(C)C;UPNLWAUFHPNEHM-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246193;MM246193;CN(C=O)NC(=O)N(C)N;ICSIIOBYOSWAEV-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246194;MM246194;CN(C=N)NC(=O)N(C)O;UNGYLYFQDWXJDR-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246195;MM246195;C#CC(C)CC(=C)C(C)C;IJCTUTVVYLFIOG-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246196;MM246196;C#CC(N)CC(=C)C(C)C;GUIRSEULLFDWHF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246197;MM246197;C#CC(O)CC(=C)C(C)C;HATOJALRZVFRRN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246198;MM246198;C#CC(F)CC(=C)C(C)C;FYJMMOTVLNUXMX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246199;MM246199;C#CC(C)CC(=C)C(C)N;CZBROAXHNNRLAF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246200;MM246200;C#CC(O)CC(=C)C(C)N;XFKVPWOWRSHRFN-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246201;MM246201;C#CC(F)CC(=C)C(C)N;LDIULTUSLMVNSO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246202;MM246202;CN=C(CF)NO;KKDUANHYCDCLHI-UHFFFAOYSA-N;106.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246203;MM246203;C#CC(N)CC(=C)C(C)O;XLIKPWAPGRGLPC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246204;MM246204;C#CC(F)CC(=C)C(C)O;HDZVZYBGVUYFLB-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246205;MM246205;C#CC(C)CC(=C)C(C)F;SFCIWBOTFQVERG-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246206;MM246206;C#CC(N)CC(=C)C(C)F;HZOOFLOVWGNIME-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246207;MM246207;C#CC(O)CC(=C)C(C)F;AHRQPJOIRZTWHV-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246208;MM246208;C#CC(F)CC(=C)C(C)F;SKXQYFDOGVYMNY-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246209;MM246209;C#CC(C)CC(=O)C(C)C;JVKCKECVXFVZPC-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246210;MM246210;C#CC(F)CC(=O)C(C)C;NTDRCRBQSCZFTH-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246211;MM246211;C#CC(C)CC(=O)C(C)F;XKSQOFBXNQVEHS-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246212;MM246212;C#CC(F)CC(=O)C(C)F;NEEWGJJBIQORFV-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246213;MM246213;C#CC(C)NC(=N)C(C)C;QCZFNGVANRSGFJ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246214;MM246214;C#CC(C)NC(=N)C(C)N;POWMMCPRQVOOLK-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246215;MM246215;C=NOCC(=N)NO;UYSAWYUVWCLJFK-UHFFFAOYSA-N;117.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246216;MM246216;C#CC(C)NC(=O)C(C)C;YTHFVUGBDHSBNP-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246217;MM246217;C#CC(C)NC(=O)C(C)O;LNQLRQHTJYTXJO-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246218;MM246218;C#CC(C)NC(=O)C(C)F;OUVFPGKDSHEOHU-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246219;MM246219;C#CC(C)OC(=C)C(C)C;LUDGQEOWZZBVDQ-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246220;MM246220;C#CC(C)OC(=C)C(C)N;FHQZRQYBFTZODU-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246221;MM246221;C#CC(C)OC(=C)C(C)O;SERFRJSAHYMERM-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246222;MM246222;C#CC(C)CC(=N)N(C)N;BUZYXLVIIOTWKD-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246223;MM246223;C#CC(O)CC(=N)N(C)N;DWWNHZINWAVPRN-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246224;MM246224;C#CC(F)CC(=N)N(C)N;IKEFLZFVMBMTTG-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246225;MM246225;C#CC(N)CC(=N)N(C)O;GYPKFOQWNJAPEQ-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246226;MM246226;C#CC(O)CC(=N)N(C)O;RRWRSOZMOOIQEL-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246227;MM246227;C#CC(F)CC(=N)N(C)O;CVZQZQGNFCAGFX-UHFFFAOYSA-N;144.15;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246228;MM246228;C#CC(C)CC(=O)N(C)C;GKFQUIJXCGSARJ-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246229;MM246229;C#CC(F)CC(=O)N(C)C;AETHSQLZNNJHEY-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246230;MM246230;C#CC(O)CC(=O)N(C)O;KGTRBQMBUPKBCQ-UHFFFAOYSA-N;143.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246231;MM246231;C#CC(C)NC(=N)N(C)N;CMYFDPNCWKICHS-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246232;MM246232;CN=C(NO)C(C)=O;KEYMWPFMUYGSMC-UHFFFAOYSA-N;116.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246233;MM246233;C#CC(C)NC(=O)N(C)O;WQAGJYCGNBFYFE-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246234;MM246234;C=C(CC)CC(=C)C(C)C;HUWIOFINCSRZAP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246235;MM246235;C=C(CN)CC(=C)C(C)C;LMVDBIXRKNTTQW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246236;MM246236;C=C(CO)CC(=C)C(C)C;MXAIQFUTLGEOIU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246237;MM246237;C=C(CF)CC(=C)C(C)C;UPIDZRAJZRGFPO-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246238;MM246238;C=C(CC(=O)CC)C(C)C;WOFNDCWQHSAFIH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246239;MM246239;C=C(CC)CC(=C)C(C)N;FMVCWNKCGVHJHH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246240;MM246240;CC(C)=NN=C(C)NO;CQHCUPYGBCECSA-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246241;MM246241;C=C(CN)CC(=C)C(C)O;RRSCKSBRPSHRAB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246242;MM246242;C=C(CC(=O)CC)C(C)O;LMWDFSGWGGNOSF-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246243;MM246243;C=C(CC)CC(=C)C(C)F;CRUMORQESIGKEM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246244;MM246244;C=C(CN)CC(=C)C(C)F;AIQSGSJXSNMRDW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246245;MM246245;C=C(CC(=O)CC)C(C)F;QQXLGRCICSWQJR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246246;MM246246;C=C(CN)CC(=C)C(F)F;KMUXQCKSXQWYHC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246247;MM246247;C=C(CO)CC(=C)C(F)F;UBDDWAGHYZHGED-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246248;MM246248;C=C(CF)CC(=C)C(F)F;OGJWXIFDTWWWIL-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246249;MM246249;C=C(CC)CC(=O)C(C)C;NHOICVQFLUFYME-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246250;MM246250;C=C(CF)CC(=O)C(C)C;MDFZBKJTBGWXSQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246251;MM246251;CCC(=O)CC(=O)C(C)C;VVALZQWOQKHDIM-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246252;MM246252;CCC(=O)CC(=O)C(C)O;LULWLYVLBHVZLB-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246253;MM246253;CC(O)C(=O)CC(=O)CO;RDTHQYGKRQXOKL-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246254;MM246254;C=C(CC)CC(=O)C(C)F;UPEPOWYEILOMPD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246255;MM246255;C=C(CF)CC(=O)C(C)F;QYWAXMANRUDBPS-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246256;MM246256;C=C(CC(=N)NC)C(C)C;UKQHSJCMYTWENR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246257;MM246257;CCC=NN=C(C)NO;MLBOJYIQTRILFP-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246258;MM246258;C=NN=CC=C(N)CO;BLRAXZYHQBXOTQ-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246259;MM246259;C=C(CC(=O)NC)C(C)N;UAZQWJQPVQVCIL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246260;MM246260;C=C(CC(=O)NO)C(C)N;MCPVTMLZDBWLJJ-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246261;MM246261;C=C(CC(=N)NN)C(C)O;CMVNSTLJDDSEKL-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246262;MM246262;COCC(=O)C(=N)NO;YXOFDQCDBKUEKO-UHFFFAOYSA-N;132.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246263;MM246263;C=C(CC(=O)NO)C(C)O;LQSYFNMKTWJLJZ-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246264;MM246264;C=C(CC(=O)NC)C(C)F;CSXZSVBHLINBDP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246265;MM246265;C=C(CC(=O)NC)C(F)F;LRJPICNRTKBAAC-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246266;MM246266;CC(C)C(=O)CC(=N)NO;VSWBPKKFDSMPHH-UHFFFAOYSA-N;144.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246267;MM246267;CNC(=O)CC(=O)C(C)C;FQLMIALVWCNNPN-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246268;MM246268;CN=C(N)CC(=O)C(C)F;RMFWIVJZQUXNAC-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246269;MM246269;CN=C(N)CC(=O)C(F)F;LBPFBWIWHILUDU-UHFFFAOYSA-N;150.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246270;MM246270;CNC(=O)CC(=O)C(F)F;NWLJWTDRAAUZQD-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246271;MM246271;C=C(CC(=C)C(C)C)OC;KYDWVURSVAOXQO-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246272;MM246272;C=C(CC(=O)OC)C(C)C;PQCQRVOULVLCDV-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246273;MM246273;C=C(CC(=C)C(C)N)OC;FUDYIQBYJCMCQF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246274;MM246274;C=C(CC(=O)OC)C(C)N;HHDVNTQQOYLSSQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246275;MM246275;C=C(CC(=O)OC)C(C)F;OUHJZJCJPGZBQL-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246276;MM246276;C=C(CC(=O)OC)C(F)F;JHJKQYGZPMCFMZ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246277;MM246277;C=C(CC(=O)C(C)C)OC;FUSRHFHFBSQSLO-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246278;MM246278;COC(=O)CC(=O)C(C)C;HNNFDXWDCFCVDM-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246279;MM246279;C=C(CC(=O)C(C)O)OC;ORVNEFMRIRYIIJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246280;MM246280;C=C(CC(=O)C(C)F)OC;TZTYJJLMJVRGIN-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246281;MM246281;C=C(NC(=N)CC)C(C)C;ZQMIDHMJRKQHKV-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246282;MM246282;C=C(NC(=N)CO)C(C)C;JROINGJSBQSDQW-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246283;MM246283;C=C(NC(=O)CC)C(C)C;KMOWFOPIMTXLGO-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246284;MM246284;C=C(NC(=O)CO)C(C)C;GXUQNZHBVBFOGN-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246285;MM246285;C=C(NC(=N)CC)C(C)N;AMEQBXZLLGUYAM-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246286;MM246286;C=C(NC(=N)CO)C(C)N;HRUKSHSLJYPDKM-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246287;MM246287;C=C(NC(=O)CN)C(C)N;NINFIDJYPPEDQF-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246288;MM246288;C=C(NC(=O)CO)C(C)N;KMQVGKCGATWDKK-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246289;MM246289;C=C(NC(=O)CF)C(C)N;OGTPCGBWMGXFDE-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246290;MM246290;C=C(NC(=N)CO)C(C)O;NOUOFPUDYKTJQQ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246291;MM246291;C=C(NC(=O)CC)C(C)O;MOSWUAAOBHQMDY-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246292;MM246292;C=C(NC(=N)CO)C(C)F;QXHHBFFVHMHFSM-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246293;MM246293;C=C(NC(=O)CO)C(C)F;CUUHWVSLNRXSST-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246294;MM246294;C=C(CN)NC(=N)C(C)C;MQZZFEYZGDIXSZ-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246295;MM246295;C=C(CF)NC(=N)C(C)C;ZPSWTEIJODFRMM-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246296;MM246296;CCC(=N)NC(=N)C(C)C;VTRKXSZPIQSSKK-UHFFFAOYSA-N;141.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246297;MM246297;C=C(CC)NC(=N)C(C)N;OZMDPGPSDGPHLY-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246298;MM246298;C=C(CO)NC(=N)C(C)N;HQKNFQJUXPAANK-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246299;MM246299;CCC(=N)NC(=N)C(C)N;HJQJDQHYTJARJY-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246300;MM246300;CC(N)C(=N)NC(=N)CN;VYPASZQAHYPWOR-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246301;MM246301;CC(N)C(=N)NC(=N)CO;PJMDCOFDRYOCHY-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246302;MM246302;C=C(CO)NC(=N)C(C)O;RRVVJRUUEGWIMY-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246303;MM246303;C=C(CF)NC(=N)C(C)O;PAAVQUDVWOXSRQ-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246304;MM246304;CCC(=N)NC(=N)C(C)O;XPOSOWWPVQDGTI-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246305;MM246305;CC(O)C(=N)NC(=N)CN;DZXKXRLNZTZXGS-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246306;MM246306;CC(O)C(=N)NC(=O)CO;PGMCMXWTDYEWAN-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246307;MM246307;CC(O)C(=N)NC(=O)CF;VQHBQZUXIOSBGR-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246308;MM246308;C=C(CF)NC(=N)C(F)F;SNGULWQZFRVRGW-UHFFFAOYSA-N;152.12;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246309;MM246309;CCC(=N)NC(=N)C(F)F;ZLVSLOAGCFXUHG-UHFFFAOYSA-N;149.14;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246310;MM246310;CCC(=O)NC(=O)C(C)C;SKAAOMPBYFYGBJ-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246311;MM246311;CC(N)C(=O)NC(=N)CN;LBBPGNZSQSMGLB-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246312;MM246312;C=C(CC)NC(=O)C(C)O;YVIJOXSVUHGVTO-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246313;MM246313;CC(O)C(=O)NC(=N)CO;RQSCFQBVPOBNJY-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246314;MM246314;CC(O)C(=O)NC(=N)CF;HJOVKWBWRXMYJD-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246315;MM246315;CC(O)C(=O)NC(=O)CO;HMNSGYIPZDOIJR-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246316;MM246316;CCC(=O)NC(=O)C(C)F;DEPPJOPMTAFFJQ-UHFFFAOYSA-N;147.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246317;MM246317;CC(F)C(=O)NC(=O)CO;GCDGNCXCTTVBFJ-UHFFFAOYSA-N;149.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246318;MM246318;C=C(CO)NC(=O)C(F)F;QRJFAFMVMLWVEV-UHFFFAOYSA-N;151.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246319;MM246319;C=C(CF)NC(=O)C(F)F;DMWZSEPZZSEWKV-UHFFFAOYSA-N;153.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246320;MM246320;C=C(NC(=O)NC)C(C)C;IQFDEJAHWGXZES-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246321;MM246321;N=C(NO)C(=O)C=CN;IKOPJJQRHLSPNL-UHFFFAOYSA-N;129.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246322;MM246322;C=C(NC(=O)NO)C(C)C;VMAMAZDKFVFHQP-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246323;MM246323;C=C(NC(=N)NC)C(C)N;ZVGKCYGEDTVFNZ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246324;MM246324;C=C(NC(=N)NO)C(C)N;REHHEDQPHLXZDW-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246325;MM246325;C=C(NC(=O)NC)C(C)N;CXLZLPWKWDVPDD-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246326;MM246326;C=C(NC(=O)NO)C(C)N;GHKXXGFXLCUDMF-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246327;MM246327;C=C(NC(=N)NC)C(C)O;LYATXFMIUNOSMC-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246328;MM246328;C=C(NC(=N)NN)C(C)O;SITDKKWMTFITGU-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246329;MM246329;Cc1c(N)cc(N)n1O;WHHYXFQRWXAHPJ-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246330;MM246330;C=C(NC(=N)NN)C(C)F;RXASDSCLPGALTK-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246331;MM246331;C=C(NC(=N)NO)C(C)F;RSRRWFJYTNBEMJ-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246332;MM246332;CC12CC(NO)=NN1C2;ZOSGUDRNFZQOSV-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246333;MM246333;C=C(NC(=O)NO)C(C)F;OSSKCHBOJLAONK-UHFFFAOYSA-N;148.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246334;MM246334;C=C(NC(=O)NC)C(F)F;JSLWHMGMTCEJAZ-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246335;MM246335;CC(C)C(=N)NC(=N)NN;KBNZFAVQZBYWMU-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246336;MM246336;CNC(=N)NC(=N)C(C)N;VZTNWGDOQGTMOG-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246337;MM246337;CC(N)C(=N)NC(=N)NO;WOVNBROORSGDHI-UHFFFAOYSA-N;145.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246338;MM246338;CNC(=N)NC(=N)C(C)O;FUTDJCITYJELLO-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246339;MM246339;CC(O)C(=N)NC(=N)NN;JZQNCQMNKVFPSV-UHFFFAOYSA-N;145.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246340;MM246340;CC(O)C(=N)NC(=N)NO;YXLIPOLTYBTLKX-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246341;MM246341;CNC(=O)NC(=N)C(C)O;QZDRMFMBABMVHM-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246342;MM246342;CC(O)C(=N)NC(=O)NN;FKCNUBOBTCNFDT-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246343;MM246343;CC(O)C(=N)NC(=O)NO;PTONUIYYQYVXKZ-UHFFFAOYSA-N;147.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246344;MM246344;CC(F)C(=N)NC(=N)NO;UVZCMUHQDVOKLH-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246345;MM246345;CNC(=O)NC(=N)C(C)F;BCBWVAXDUNCUMD-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246346;MM246346;CC(F)C(=N)NC(=O)NO;NJFJJBBAFDGHIX-UHFFFAOYSA-N;149.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246347;MM246347;CNC(=N)NC(=O)C(C)N;WASLKCILSALINW-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246348;MM246348;CNC(=N)NC(=O)C(C)O;IKNYCWMGCAYQRJ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246349;MM246349;CC(O)C(=O)NC(=N)NN;CXMJGYKKQHFWMU-UHFFFAOYSA-N;146.15;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246350;MM246350;CC(O)C(=O)NC(=O)NN;VSCLBWOTDOBAJJ-UHFFFAOYSA-N;147.13;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246351;MM246351;CC(O)C(=O)NC(=O)NO;PAEUCKZVEAXWSH-UHFFFAOYSA-N;148.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246352;MM246352;CNC(=N)NC(=O)C(C)F;AVTTZNQWNUEXHB-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246353;MM246353;CNC(=O)NC(=O)C(C)F;DOAUCEWERGGOKR-UHFFFAOYSA-N;148.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246354;MM246354;CNC(=O)NC(=O)C(F)F;ZPWUMEISXOBIPT-UHFFFAOYSA-N;152.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246355;MM246355;C=C(NC(=O)OC)C(C)N;NZRIDVQXWACMGM-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246356;MM246356;C=C(NC(=O)OC)C(C)O;LVGBOCSCYLGWBP-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246357;MM246357;C=C(NC(=O)OC)C(C)F;VENHDMTVKPTYDX-UHFFFAOYSA-N;147.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246358;MM246358;COC(=O)NC(=N)C(C)C;FFXNXKIFSKDCPC-UHFFFAOYSA-N;144.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246359;MM246359;C=C(NC(=N)C(C)O)OC;LOEDEQCIIXDYBQ-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246360;MM246360;C=C(NC(=N)C(F)F)OC;YBZMNSRHHPQBGO-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246361;MM246361;COc1[nH]nc(N)c1C;NYVDQTINMSNSFM-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246362;MM246362;C=C(NC(=O)C(C)O)OC;ZCEOEIHSKMXJRA-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246363;MM246363;COC(=O)NC(=O)C(C)O;GMQWURKYJNJVFF-UHFFFAOYSA-N;147.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246364;MM246364;C=C(CC)OC(=C)C(C)C;WIJAIPOTCGWCDG-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246365;MM246365;C=C(CO)OC(=C)C(C)C;TUDVPBOIJGWJOX-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246366;MM246366;C=C(OC(=O)CC)C(C)C;UYINGUCGWNFUDE-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246367;MM246367;C=C(OC(=O)CO)C(C)C;UJMXWYDSFMDXDK-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246368;MM246368;C=C(CN)OC(=C)C(C)N;OJIYDLWTANKHLH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246369;MM246369;C=C(CO)OC(=C)C(C)N;ODYSLANRSXAKIW-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246370;MM246370;C=C(OC(=O)CN)C(C)N;MKUMPFXAKXCLNG-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246371;MM246371;C=C(OC(=O)CO)C(C)N;IRIIIVMZTHWAOO-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246372;MM246372;C=C(CN)OC(=C)C(C)O;KDPBVJXHDXKBEZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246373;MM246373;C=C(OC(=O)CO)C(C)O;KZACIHAVJPXONK-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246374;MM246374;C=C(CO)OC(=C)C(C)F;ZXEMBFRHJDEEID-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246375;MM246375;C=C(OC(=O)CO)C(F)F;JWICLJHIQHXIJL-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246376;MM246376;C=C(CC)OC(=O)C(C)O;YTFOPADBOLQPSS-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246377;MM246377;C=C(CO)OC(=O)C(C)O;DEPQGLAWBYRGHC-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246378;MM246378;C=C(CC)OC(=O)C(C)F;UDXKENFQKBPTHO-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246379;MM246379;CNN(C=N)C(=O)CF;FHPZOJXPDYQXOI-UHFFFAOYSA-N;133.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246380;MM246380;C=C(OC(=O)OC)C(C)F;YJOCMDWUPMXCSW-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246381;MM246381;C=C(OC(=O)OC)C(F)F;SNBYQNMXUKCFPH-UHFFFAOYSA-N;152.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246382;MM246382;C=C(CC)CC(=N)N(C)C;RKAMTXSSLXLXEN-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246383;MM246383;C=C(CO)CC(=N)N(C)C;AMVLXHYFBTYMGQ-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246384;MM246384;CN(C)C(=N)CC(=O)CF;CJIDNTWKTUJIAO-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246385;MM246385;C=C(CC)CC(=N)N(C)N;CSTQHKKKSPHVQM-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246386;MM246386;C=C(CO)CC(=N)N(C)N;RJVVTGTWZADDEU-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246387;MM246387;C=C(CC)CC(=N)N(C)O;UDBLEJBOGNJWLW-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246388;MM246388;C=C(CN)CC(=N)N(C)O;JGRAQRWJVLHAFN-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246389;MM246389;C=C(CC)CC(=O)N(C)C;AZKXDTOILILTFT-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246390;MM246390;CCC(=O)CC(=O)N(C)C;ASSYHWUVYSFJHR-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246391;MM246391;C=C(CC)CC(=O)N(C)N;UKXDZCSAQSXAAR-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246392;MM246392;C#CC(C#N)C(=N)NO;JIJYAIMECXJCQR-UHFFFAOYSA-N;123.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246393;MM246393;C=C(CF)CC(=O)N(C)N;LXSASUKSDTURSU-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246394;MM246394;C=C(CN)CC(=O)N(C)O;VNCJBQKDINSNDV-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246395;MM246395;C=C(CO)CC(=O)N(C)O;MFUPKPWQAHAHNR-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246396;MM246396;C=C(CF)CC(=O)N(C)O;AYXJCJFFBAYRBO-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246397;MM246397;CN(O)C(=O)CC(=O)CO;QFKQIEHVRXVFCR-UHFFFAOYSA-N;147.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246398;MM246398;CNC(=N)CC(=N)N(C)C;SVQWHKBFABJCEF-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246399;MM246399;CN(C)C(=N)CC(=N)NO;NJWLQWHFVLYYNL-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246400;MM246400;CNC(=O)CC(=N)N(C)C;HQZRNKFSDDVMRT-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246401;MM246401;CN(N)C(=N)CC(=N)NO;YLZVVDFROSVBNV-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246402;MM246402;CNC(=O)CC(=N)N(C)N;AQZYABAGXHGGGL-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246403;MM246403;CN(N)C(=N)CC(=O)NN;OGBCMPMTEWUJHO-UHFFFAOYSA-N;145.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246404;MM246404;CNC(=N)CC(=N)N(C)O;UVQFIDUJBQSJFP-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246405;MM246405;CN(O)C(=N)CC(=N)NN;ZOTDZVBIDXFUGN-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246406;MM246406;CN(O)C(=N)CC(=N)NO;PRKGOXFVNXAEKW-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246407;MM246407;CN(C)C(=O)CC(=N)NN;LEHHMHHGLNSEJR-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246408;MM246408;NN=CCC(=NN)NO;BSFIHIDGIPIUBS-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246409;MM246409;CN(C)C(=O)CC(=O)NO;DNDFOKKPMXNPDX-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246410;MM246410;CN=C(N)CC(=O)N(C)N;CRNNREVBWNMSPJ-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246411;MM246411;CN(N)C(=O)CC(=N)NN;PIPMYJYVFBAMLZ-UHFFFAOYSA-N;145.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246412;MM246412;CC(=NN)C1C(C)C1O;HIXOFIAECMASIS-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246413;MM246413;CNC(=O)CC(=O)N(C)O;YVRFYWYMQZHECO-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246414;MM246414;CN(O)C(=O)CC(=O)NN;IZODDJRACIJLNI-UHFFFAOYSA-N;147.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246415;MM246415;C=C(CC(=N)N(C)C)OC;HSBLPKNASDAQOA-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246416;MM246416;C=C(CC(=N)N(C)N)OC;KZSGBAOIMNSMMU-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246417;MM246417;COC(=O)CC(=N)N(C)N;CBVSSQUXOBVNLC-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246418;MM246418;C=C(CC(=O)N(C)C)OC;ZMAGZVOGOTYJBI-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246419;MM246419;COC(=O)CC(=O)N(C)C;GSROVVPYJBMJMI-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246420;MM246420;OCC=NNCCCO;UQEGWWNYDKZPPX-UHFFFAOYSA-N;132.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246421;MM246421;COC(=O)CC(=O)N(C)O;VDYMHVRPFKAUQT-UHFFFAOYSA-N;147.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246422;MM246422;C=C(CC)NC(=N)N(C)C;MNVOSNJATZDCBW-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246423;MM246423;C=C(CN)NC(=N)N(C)C;MSGFQGUJLDVTRQ-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246424;MM246424;C=C(CF)NC(=N)N(C)C;SZZRGRBRTBZWGG-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246425;MM246425;CN(C)C(=N)NC(=N)CN;BAIJTXZUCVOQPK-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246426;MM246426;CN(C)C(=N)NC(=O)CN;IIDCKXQUFOVVEH-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246427;MM246427;CN(C)C(=N)NC(=O)CO;RXYJSIHJPFJWSL-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246428;MM246428;C=C(CO)NC(=N)N(C)N;DRNNUUVCHCZCHY-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246429;MM246429;C=C(CF)NC(=N)N(C)N;OGXFFRSPXRPLEV-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246430;MM246430;CCC(=N)NC(=N)N(C)N;FXZHGVDUIFRMFZ-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246431;MM246431;CN(N)C(=N)NC(=N)CF;WSHVDGUHWYGFGJ-UHFFFAOYSA-N;147.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246432;MM246432;CCC(=O)NC(=N)N(C)N;UCKYMHWMLNAQLL-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246433;MM246433;CN(N)C(=N)NC(=O)CO;SZMUFUXHQWWMSI-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246434;MM246434;C=C(CO)NC(=N)N(C)O;SRSJALWMXSNYAC-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246435;MM246435;CCC(=N)NC(=N)N(C)O;IDRNDBOMAIYNLK-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246436;MM246436;CN(O)C(=N)NC(=N)CN;RQCDOCREWUHJJB-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246437;MM246437;CN(O)C(=N)NC(=N)CF;BXDFIFFCGOCXOS-UHFFFAOYSA-N;148.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246438;MM246438;C=C(CO)NC(=O)N(C)C;CLQDLPLKZKBQLM-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246439;MM246439;C=CC(C=NN)C(C)(C)O;BPIXGTIMYAHFQS-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246440;MM246440;CN(C)C(=O)NC(=N)CO;ANTADKBURINRBW-UHFFFAOYSA-N;145.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246441;MM246441;CN(C)C(=O)NC(=O)CO;LZIYMYUNSGZACR-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246442;MM246442;CN(CC(N)=O)N=CCO;BZCDHQFHXXTYOC-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246443;MM246443;CC(=CN(N)C=O)C(C)O;YKQMLXTTWDXFQT-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246444;MM246444;CN(N)C(=O)NC(=N)CF;YCVNTMNNICORGF-UHFFFAOYSA-N;148.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246445;MM246445;CON=C(C)NOC(N)=O;GVMCPUKXVXGLRA-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246446;MM246446;C=C(CO)NC(=O)N(C)O;JYFOLJUJYCCRFR-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246447;MM246447;CCC(=N)NC(=O)N(C)O;FJLGIHDEACLLCU-UHFFFAOYSA-N;145.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246448;MM246448;CN(O)C(=O)NC(=N)CF;LBORKWDDVHCKGQ-UHFFFAOYSA-N;149.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246449;MM246449;CCC(=O)NC(=O)N(C)O;HEMIDDHYGCGHSJ-UHFFFAOYSA-N;146.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246450;MM246450;CNC(=N)NC(=N)N(C)C;WSOJDCMEOXQRIG-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246451;MM246451;CN(C)C(=N)NC(=N)NN;JPMDLPMIUTVVPE-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246452;MM246452;CN(C)C(=N)NC(=O)NO;QFWARGKEDMMSTI-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246453;MM246453;CNC(=N)NC(=N)N(C)O;KAYJTNCZQXEAAA-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246454;MM246454;CN(O)C(=N)NC(=N)NN;RNYVQSPYCCXHNA-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246455;MM246455;CN(O)C(=N)NC(=N)NO;ZVCIFEQQEVTIIG-UHFFFAOYSA-N;147.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246456;MM246456;CN(C)C(=O)NC(=N)NN;GYHSBYOETSKOGM-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246457;MM246457;COC(=N)NC(=N)N(C)C;IIJZCNZLGUVPIZ-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246458;MM246458;COC(=O)NC(=N)N(C)C;OSSYVFFQUZWPEG-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246459;MM246459;C=C(NC(=N)N(C)N)OC;DCCQEPLCRDVGNV-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246460;MM246460;COC(=N)NC(=N)N(C)N;IDFOJXUWUBZDQX-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246461;MM246461;C=C(NC(=N)N(C)O)OC;VDRVIPSLJOQFKI-UHFFFAOYSA-N;145.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246462;MM246462;COC(=N)NC(=N)N(C)O;JBNWJRARDOWYQI-UHFFFAOYSA-N;146.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246463;MM246463;COC(=N)NC(=O)N(C)C;LVPZAZJYYMRAMZ-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246464;MM246464;COC(=N)NC(=O)N(C)N;PAFYIRNGDGBNRM-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246465;MM246465;CC(=NN=CC(C)F)NO;LZMACFLHRWLUMK-UHFFFAOYSA-N;147.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246466;MM246466;CNC(=N)OC(=N)N(C)C;BAFSDCMKCQIYFO-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246467;MM246467;CC(=O)C=NN=C(C)NO;XJFXUGORJJRSRQ-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246468;MM246468;C=CC(=C)CC(=C)C(C)C;XUMRGAHSTATJJW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246469;MM246469;C=C(C=O)CC(=C)C(C)C;UPGPZOANVUXQAQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246470;MM246470;C=C(C#N)CC(=C)C(C)C;RDKKOQSPUAPENV-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246471;MM246471;C=CC(=O)CC(=C)C(C)C;BSVBIXFNLLYFOX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246472;MM246472;C=CC(=C)CC(=C)C(C)N;JLQQJZOGGIZVLW-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246473;MM246473;C#CC(=O)CN(O)C=NC;MICCDHVMHUCOGZ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246474;MM246474;CNN=C(CC(C)F)NO;ZMVTUJPRGLUCCV-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246475;MM246475;C=CC(=C)CC(=C)C(C)F;ZRZFRFVXFWPBIS-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246476;MM246476;C=C(C=O)CC(=C)C(C)F;MFWPZOIJKNHCMK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246477;MM246477;C=CC(=O)CC(=C)C(C)F;JIFNIAKORYEPKO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246478;MM246478;C=CC(=C)CC(=O)C(C)C;CIZIXFOUSLNMNY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246479;MM246479;C=C(C=O)CC(=O)C(C)C;FHMQRVSTRKHNOU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246480;MM246480;C=C(C#N)CC(=O)C(C)C;LVUAQJVQYGSATB-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246481;MM246481;C=CC(=O)CC(=O)C(C)C;RUKSWCLNYMXTBH-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246482;MM246482;C=C(C=O)CC(=O)C(C)O;HRZZLXFDDKZKAL-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246483;MM246483;C=CC(=O)CC(=O)C(C)O;KJKZHZAUSQAYHE-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246484;MM246484;CCNC(=CC(=O)O)CO;UFEIXYGONIZMJO-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246485;MM246485;C=CC(=C)CC(=O)C(C)F;AMFPZZDPHHJIOH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246486;MM246486;C=C(C=O)CC(=O)C(C)F;IDSHWQSFYXHWFR-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246487;MM246487;CC(C)=NN(C)CC(=O)O;PGYIGUVGIUUQJX-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246488;MM246488;C=CC(=N)NC(=C)C(C)C;ZRYWVGMSGVZXAN-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246489;MM246489;C=C(N=C(N)C=O)C(C)C;QWXICLNDQKYSPF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246490;MM246490;C=C(NC(=N)C#N)C(C)C;CRKVIFCYTXFVQU-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246491;MM246491;C=C(NC(=O)C#N)C(C)C;HEEMZJADMILNFK-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246492;MM246492;C=CC(=O)NC(=C)C(C)O;NTHKYDUGLRTIHN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246493;MM246493;C=C(NC(=O)C=O)C(C)O;BNHRVDQZIZGAIL-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246494;MM246494;C=C(NC(=O)C=O)C(C)F;AOLCRPKFLDDUQV-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246495;MM246495;C=C(NC(=O)C#N)C(C)F;FFBWMLNZULCORM-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246496;MM246496;C=C(NC(=O)C#N)C(F)F;YOXQVASEIGTMPZ-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246497;MM246497;COCC(=NN)OC(N)=O;YHTKLVYJIKBMRN-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246498;MM246498;C=CC(=N)NC(=N)C(C)N;HJGAQJYVWRPCON-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246499;MM246499;C=CC(=N)NC(=N)C(C)O;ISVVIBZFZCAATH-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246500;MM246500;CCC=CCN(O)C=NN;OBWRQAGDLBMNIH-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246501;MM246501;C=CC(=O)NC(=N)C(C)O;KDFMAQLGTQMXBX-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246502;MM246502;C=C(C=O)NC(=N)C(C)F;AXTHGYMJKZRACN-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246503;MM246503;NN=CN(O)CC=CCF;UDGZUIMRAHNJCM-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246504;MM246504;C=CC(=C)NC(=N)C(F)F;ZVBSZISKOFOPKW-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246505;MM246505;C=CC(=C)NC(=O)C(C)O;CQYITSLUPCYYDU-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246506;MM246506;C=C(C=O)NC(=O)C(C)O;UBXBPUWLYMSEBS-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246507;MM246507;C#CC=CCN(O)C=NN;FLRSXCKEMIRLIV-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246508;MM246508;C=CC(=O)NC(=O)C(C)O;NTQNCFQNLNSQGU-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246509;MM246509;C=C(C=O)NC(=O)C(C)F;HZWWBHOLPKIJCE-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246510;MM246510;C=C(C#N)NC(=O)C(C)F;DCQHCHSFZFVCEM-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246511;MM246511;C=CC(=N)NC(=O)C(C)F;ZCIIMCLNUIIGRY-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246512;MM246512;C=C(C#N)NC(=O)C(F)F;KQFKAIBCOGBSOI-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246513;MM246513;C=CC(=C)OC(=C)C(C)C;RFDSLYGZHDLELJ-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246514;MM246514;C=C(C=O)OC(=C)C(C)C;BWEQZRGCXPQOCP-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246515;MM246515;C=C(C#N)OC(=C)C(C)C;XFAUMKUEEJMJQB-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246516;MM246516;C=CC(=O)OC(=C)C(C)C;JVTAZMUZMHETTO-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246517;MM246517;C=C(OC(=O)C#N)C(C)C;JRSRXWXNMKHPBS-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246518;MM246518;C=CC(=O)OC(=C)C(C)N;PWKLJGYSXHCJBT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246519;MM246519;C=CC(=C)OC(=C)C(C)O;QDQPTMSGGYLXLP-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246520;MM246520;C=C(C=O)OC(=C)C(C)O;NUAYOZYEIRBEEG-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246521;MM246521;C=C(C#N)OC(=C)C(C)O;HBVVAOXMEBWEDU-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246522;MM246522;C=CC(=O)OC(=C)C(C)O;OKFLFBBGRXUSPM-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246523;MM246523;C=C(C=O)CC(=N)N(C)C;VSHSTUNTTITRJJ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246524;MM246524;C=C(C#N)CC(=N)N(C)C;COWUHQUFHPIDIU-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246525;MM246525;C=CC(=O)CC(=N)N(C)C;NKNRMKKZBNCVAL-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246526;MM246526;C=CC(=C)CC(=N)N(C)N;YTZPQSCLENBGOL-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246527;MM246527;C=C(C=O)CC(=N)N(C)O;LMYUNXFUTYXMJJ-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246528;MM246528;C=C(C#N)CC(=O)N(C)C;ITKIFJZDVXQKKL-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246529;MM246529;C=CC(=C)CC(=O)N(C)N;GFPASXWVJOVASB-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246530;MM246530;C=CC(=C)NC(=N)N(C)C;IOSOUEOQZDTPRA-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246531;MM246531;C=CC(=N)NC(=N)N(C)C;GJOCJDDQQOFCOA-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246532;MM246532;CN(C)C(=N)N=C(N)C=O;ADXXRZSVCYCFKQ-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246533;MM246533;C=CC(=O)NC(=N)N(C)C;PFVWLTDETBEFEA-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246534;MM246534;C=CC(=N)NC(=N)N(C)N;UBFNPNUORKOOPZ-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246535;MM246535;C=CC(=O)NC(=N)N(C)N;YZCPMVJTPJRINE-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246536;MM246536;C=CC(=N)NC(=N)N(C)O;YFGLZUHKBXAPSZ-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246537;MM246537;C=CC(=C)NC(=O)N(C)C;XHCUQTOSUGDNJZ-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246538;MM246538;C=C(C=O)NC(=O)N(C)C;MPELOHAZSRGWSW-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246539;MM246539;C=CC(=O)NC(=O)N(C)C;DIFKIZKGHUXCJS-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246540;MM246540;COCON=C(N)C(N)=O;KXYFZVUBWCQNIQ-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246541;MM246541;NC(=O)N(N)CC#CCF;PMTKOEIHWYNWHK-UHFFFAOYSA-N;145.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246542;MM246542;C=CC(=C)NC(=O)N(C)O;SDTABRBOOQAREI-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246543;MM246543;C=CC(=N)NC(=O)N(C)O;SNAAOUKCZDLXKG-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246544;MM246544;C=NNC1CC(C)C(O)C1;VMHAEPKCIZGHCM-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246545;MM246545;C#CC(=C)CC(=C)C(C)C;DCVYTQYCZJRMID-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246546;MM246546;C#CC(=O)CC(=C)C(C)C;WLNZDXHKXOIXOV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246547;MM246547;C#CC(=C)CC(=C)C(C)N;XEFMRDHFFLXMIY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246548;MM246548;C#CC(=O)CC(=C)C(C)O;RWCNWTGCLNRKJF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246549;MM246549;C#CC(=O)CC(=C)C(C)F;KONGPWRBJMDYII-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246550;MM246550;C#CC(=C)CC(=O)C(C)C;RMRPVJJFXXMNDO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246551;MM246551;C#CC(=C)CC(=O)C(C)O;GXQHJWHJGMBGRY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246552;MM246552;C#CC(=N)NC(=C)C(C)C;HUULIYOMMVJBQO-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246553;MM246553;C#CC(=O)NC(=C)C(C)C;RWPCFEVHXQYEPL-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246554;MM246554;C#CC(=N)NC(=C)C(C)N;OPHYDSIJQHPBHO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246555;MM246555;C#CC(=O)NC(=C)C(C)N;CKAYXWKHTDPGLI-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246556;MM246556;C#CC(=O)NC(=C)C(C)O;VLAAGLKPWNWFQW-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246557;MM246557;C#CC(=O)NC(=C)C(C)F;AERSEQIDVPLPHW-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246558;MM246558;C#CC(=C)NC(=N)C(C)C;CTVMKMOSHPWVPG-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246559;MM246559;C#CC(=C)NC(=N)C(C)O;YTZWCCWRELGTCJ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246560;MM246560;C#CC(=O)NC(=N)C(C)O;IJSCKVFERJJRQC-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246561;MM246561;C#CC(=C)NC(=N)C(F)F;PYMFHZGDFUVRBI-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246562;MM246562;C#CC(=C)NC(=O)C(C)C;HPHSZPJNCLLAMK-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246563;MM246563;C#CC(=C)NC(=O)C(C)O;UNOIFGFPJQRGTO-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246564;MM246564;C#CC(=N)NC(=O)C(C)O;QALKKTDKHQJXOY-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246565;MM246565;C#CC(=C)NC(=O)C(F)F;DQWFXEHLYCDOJR-UHFFFAOYSA-N;145.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246566;MM246566;C#CC(=C)OC(=C)C(C)C;NETWVYCDLIESBW-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246567;MM246567;C#CC(=O)OC(=C)C(C)C;MYQVQYVIQAGASF-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246568;MM246568;C#CC(=C)OC(=C)C(C)N;KHLGGPADUVMVIT-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246569;MM246569;C#CC(=O)OC(=C)C(C)F;URRYSFAFQUFWQX-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246570;MM246570;C#CC(=C)CC(=N)N(C)C;QEIVAGOGECEHHM-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246571;MM246571;C#CC(=O)CC(=N)N(C)C;HXEDNTPETYUNMZ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246572;MM246572;C#CC(=O)CC(=O)N(C)C;BUWNVOLJMZMNNK-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246573;MM246573;C#CC(=C)CC(=O)N(C)O;HETMVNBUPZTVHQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246574;MM246574;C#CC(=O)CC(=O)N(C)O;LAVBUSWDNRDWDJ-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246575;MM246575;C#CC(=C)NC(=N)N(C)N;PCTYJEBVTHGTOK-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246576;MM246576;C#CC(=C)NC(=N)N(C)O;JHQHCIYRJCYZLP-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246577;MM246577;C#CC(=N)NC(=N)N(C)O;BDIRRKAONPSLJJ-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246578;MM246578;C=C(C)C(=C)CC(C)CC;MIXLHXCDJUQCAD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246579;MM246579;C=C(C)C(=C)CC(C)CN;QJWBSPZWQORHSJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246580;MM246580;C=C(C)C(=C)CC(C)CF;DXWHKIRMVMUOJD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246581;MM246581;C=C(C)C(=C)CC(N)CC;VTGRGQXHFUTDSY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246582;MM246582;C=C(C)C(=C)CC(N)CF;IJVDDCLRUABCAF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246583;MM246583;C=CC(O)CCC(C)=NN;HKSGKDBNGGSCNA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246584;MM246584;C=C(C)C(=C)CC(O)CO;XNCIUGIISJOBNQ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246585;MM246585;C=C(C)C(=C)CC(F)CC;ONYPLPCYCNHDRM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246586;MM246586;C=C(C)C(=C)CC(F)CN;JNACDDXNHVZEAA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246587;MM246587;C=C(C)C(=C)CC(F)CO;WHSPVJJOORVFIG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246588;MM246588;C#CC(C)N=CN(O)CC;NCJZKMOGEAFVIJ-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246589;MM246589;C=C(CC(C)CF)C(C)=O;OGCOUSPWILXPBK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246590;MM246590;C=C(CC(O)CC)C(C)=O;ZITNCKIPDPVKMH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246591;MM246591;C=C(CC(F)CC)C(C)=O;XOVPZIMKSSSBFU-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246592;MM246592;C=C(CC(C)CC)C(=N)N;IEYBWFKNWQPLNX-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246593;MM246593;C=C(CC(C)CN)C(=N)N;IIDFIQZKUARDBY-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246594;MM246594;C=C(CC(N)CN)C(=N)N;CATKAJGRVLUIKD-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246595;MM246595;C=C(CC(O)CO)C(=N)N;ODAHVVMKLISHSE-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246596;MM246596;C=C(CC(F)CN)C(=N)N;KKWFQRJCPOMGQX-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246597;MM246597;CCC(C)=NN=C(C)NO;GMFWVIUNYGYORX-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246598;MM246598;C=C(CC(N)CC)C(N)=O;JDOLCZRKJPIAHO-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246599;MM246599;CC(CF)=NN=C(C)NO;LHNFWEBZFWNPSV-UHFFFAOYSA-N;147.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246600;MM246600;N#CC(C=O)NC(=N)CF;JSUJLZBRSHTZOH-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246601;MM246601;C=CC(C=CC(=O)O)=NN;RYFSIIQUUZYZAY-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246602;MM246602;C=C(CC(C)CF)C(=O)O;DZXJZZZPHTYQKT-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246603;MM246603;C=NNCCC(=O)O;AGOUUYZQUURTSF-UHFFFAOYSA-N;116.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246604;MM246604;C=NOC(C)CCC(=O)O;UAQPXTXAAFECLG-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246605;MM246605;C=C(CC(F)CC)C(=O)O;XTSKWLBWUYNWDJ-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246606;MM246606;C=C(F)C(=C)CC(C)CN;WESVXBPDIZRUCK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246607;MM246607;NN=C(CC(F)CF)NO;LIULHEKGGLLBFQ-UHFFFAOYSA-N;153.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246608;MM246608;C=C(F)C(=C)CC(C)CF;OOYGLSGXYYQXHE-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246609;MM246609;C=C(F)C(=C)CC(N)CC;FWIKPONCROYOBF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246610;MM246610;C=C(F)C(=C)CC(N)CF;ONMQUSZKMITLQX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246611;MM246611;C=C(F)C(=C)CC(O)CC;ABVKLISMOPUVNB-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246612;MM246612;C=C(F)C(=C)CC(O)CF;VVTVBZRRSRRYND-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246613;MM246613;C=C(F)C(=C)CC(F)CN;KTMLEBYWKWKNRI-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246614;MM246614;C=C(C)C(=O)CC(C)CC;OEYSORBKKWXQNQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246615;MM246615;C=C(C)C(=O)CC(C)CO;HFGMPXPYXXCPRL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246616;MM246616;C=C(C)C(=O)CC(O)CC;DSFUQAUFTAHRLZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246617;MM246617;C=C(C)C(=O)CC(F)CC;GNVRFMYDEYBHCT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246618;MM246618;CC(=O)C(=O)CC(C)CF;HYOMEDOWTGNBNW-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246619;MM246619;CC(=O)C(=O)CC(O)CF;GIOFBLXFBKIOMC-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246620;MM246620;CCC(F)CC(=O)C(C)=O;SLDPRFKSPFGIGK-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246621;MM246621;CCC(C)CC(=O)C(=N)N;FLCMNCSAJNGTKY-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246622;MM246622;C=CC(F)CC(=NN)NO;VSXXWIYFKOPHBR-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246623;MM246623;CC1=CC(C#N)OC1=O;WINSJGZSSNAQHJ-UHFFFAOYSA-N;123.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246624;MM246624;Cn1c(O)nc(=O)[nH]c1=O;JKFBDXNBNZXCCV-UHFFFAOYSA-N;143.1;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246625;MM246625;CC=C(C=CC(=O)O)OC;OEXWYOABEDCSMV-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246626;MM246626;C=C(F)C(=O)CC(C)CF;XWUKHOPEQWEBMO-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246627;MM246627;C=C(F)C(=O)CC(F)CC;KXZXRXAKGOKOEW-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246628;MM246628;C=C(CC(C)NC)C(=N)N;UBAWBVSWWKOVAO-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246629;MM246629;C=C(C)C(=C)CC(C)OC;YTTQHYRBDYOFHI-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246630;MM246630;C=C(CC(C)OC)C(C)=O;OYTPYIJNXBKIGU-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246631;MM246631;C=C(CC(C)OC)C(=N)N;VECQYJQPRJELPA-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246632;MM246632;CC(C=O)N=C(C=O)NO;KTSLVYJVULXPNV-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246633;MM246633;C=C(C)C(=O)CC(C)OC;MHZGFFNZJFWXBO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246634;MM246634;C=C(C)C(=N)NC(C)CC;AVDSPBSJHYKYIT-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246635;MM246635;CC(CN)NC(=N)C(=N)N;FYPKSJBFPRQYJJ-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246636;MM246636;CC(CO)NC(=N)C(=N)N;YAKFQQURAQZGBD-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246637;MM246637;CC(CF)NC(=N)C(=N)N;PJIJINUEENSNGQ-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246638;MM246638;C#CC(=C)CC(=NN)NO;QXAFBZWLXNEOTH-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246639;MM246639;C=C(CC(=O)O)OCC;QYTOAQBXXQQTEM-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246640;MM246640;CCC(=N)N=C(C=O)NO;SOSDMGMCBQRKMT-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246641;MM246641;CC(CN)NC(=O)C(=N)N;GNIJORGAISYOKD-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246642;MM246642;C=C(C)C(=C)OC(C)CN;OXASOFPGPLIDNQ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246643;MM246643;C=C(OC(C)CC)C(C)=O;BXEDMMXUXZSPJG-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246644;MM246644;C=C(OC(C)CF)C(C)=O;BIJRXVAHJSCZAO-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246645;MM246645;C=C(OC(C)CO)C(N)=O;BYMKZRTUMXNRHC-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246646;MM246646;C=C(C)C(=O)OC(C)CC;VXTQKJXIZHSXBY-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246647;MM246647;C=C(C)C(=O)OC(C)CF;NUHSQLHYMOLSAY-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246648;MM246648;CCC(C)OC(=O)C(C)=O;UJVRBNBXEWXTGT-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246649;MM246649;NN=C(CC(F)=CF)NO;DBNQHRARLRXRMK-UHFFFAOYSA-N;151.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246650;MM246650;CC(CO)OC(=O)C(N)=O;KVXDUIHNIOEWEB-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246651;MM246651;C=C(F)C(=O)OC(C)CN;BUDSXWOGECUJSU-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246652;MM246652;C=C(F)C(=O)OC(C)CF;NKSBRFXKCKGQSQ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246653;MM246653;C=C(C)C(=C)OC(C)OC;IGEUMIAGOWIYRX-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246654;MM246654;CC=C(CC(=O)O)OC;AATKKEUPIYRWTC-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246655;MM246655;C=C(C)C(=O)OC(C)OC;GAIKGJPKSGSGJW-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246656;MM246656;COC(C)OC(=O)C(=N)N;UAAIIUFCNGNNHJ-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246657;MM246657;C=C(C#N)OC(C#N)=NO;PZPDINYOFVETLO-UHFFFAOYSA-N;137.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246658;MM246658;C=C(C)C(=C)CN(C)CC;BZVIVJVRGGMBDC-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246659;MM246659;C=C(CN(C)CC)C(=N)N;BSOZUVBEBJOPKW-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246660;MM246660;CCN(C)NC(=O)C(C)=O;DRJWAKJJLZRQMS-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246661;MM246661;C=C(F)C(=O)NN(C)CC;ODDVSMBHRMRHNN-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246662;MM246662;C=CC(C)CC(=C)C(=C)C;NMSQADDDOOXZTR-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246663;MM246663;C=C(C)C(=C)CC(C)C=O;UAOLVLYGDRCDEO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246664;MM246664;C=C(C)C(=C)CC(C)C#N;QAERUZLMHYENRX-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246665;MM246665;C=CC(N)CC(=C)C(=C)C;DADOKTBJRJUZPS-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246666;MM246666;CC(O)CNC(C#N)C#N;DMVYHUWJJHHOHY-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246667;MM246667;C=C(C)C(=C)CC(O)C#N;NFPHURMPTSSXEG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246668;MM246668;C=CC(F)CC(=C)C(=C)C;HOFXPGWUIUSYEJ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246669;MM246669;C=C(C)C(=C)CC(F)C=O;DRSMRRAKKRXKNS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246670;MM246670;C=C(C)C(=C)CC(F)C#N;PNYUQFUIZGOSIP-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246671;MM246671;C=CC(C)CC(=C)C(C)=O;ALKQYMFTUNMRFL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246672;MM246672;C=C(CC(C)C#N)C(C)=O;BWMQFJRILGQELR-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246673;MM246673;C=CC(O)CC(=C)C(C)=O;AQZGLDMZYJMKTB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246674;MM246674;C=C(CC(O)C=O)C(C)=O;ZQHSBNYDOVKFGY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246675;MM246675;C=C(CC(O)C#N)C(C)=O;YWDKZHJBQFAPBB-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246676;MM246676;C=CC(F)CC(=C)C(C)=O;YTJORALAXOVQKJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246677;MM246677;C=CC(C)CC(=C)C(=N)N;FHLGFPGMPKZFDK-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246678;MM246678;C=C(CC(C)C#N)C(=N)N;DAFRQPSJXQVUEY-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246679;MM246679;C=CC(N)CC(=C)C(=N)N;MGFKYRVECOASCU-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246680;MM246680;C=C(CC(O)C#N)C(=N)N;YIKXWARCXLBCDZ-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246681;MM246681;C=C(CC(F)C#N)C(=N)N;CZSYWEIFCBNUPJ-UHFFFAOYSA-N;141.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246682;MM246682;C=CC(O)CC(=C)C(N)=O;SGBNGAJFJXLOFX-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246683;MM246683;C=C(CC(O)C=O)C(N)=O;GAHLHEDQFHSUFV-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246684;MM246684;C=CC(C)CC(=C)C(=O)O;XNSIJYGTEFIVJK-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246685;MM246685;C=CCc1nc(=O)o[nH]1;CNCUOCBYQBFVGT-UHFFFAOYSA-N;126.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246686;MM246686;C=C(F)C(=C)CC(C)C=O;GJJVQWAJTRYSHY-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246687;MM246687;C=CC(N)CC(=C)C(=C)F;PJCQONZNKYJOCZ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246688;MM246688;C=CC(C)CC(=O)C(=C)C;STDFDFMUTVIVLD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246689;MM246689;C=C(C)C(=O)CC(C)C=O;NLXTVIHHRXJEQK-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246690;MM246690;C=C(C)C(=O)CC(C)C#N;DYFIQBWRQPXCPJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246691;MM246691;C=C(C)C(=O)CC(O)C=O;VZTURTHPDACYGQ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246692;MM246692;C=C(C)C(=O)CC(O)C#N;JZCRLSUWEQLHKA-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246693;MM246693;C=CC(F)CC(=O)C(=C)C;KGLAMNJQOYFKBO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246694;MM246694;CC(=O)C(=O)CC(C)C=O;ZRDNWOXWULKRCJ-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246695;MM246695;CC(=O)C(=O)CC(O)C=O;BXGAPUPXCHLMKE-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246696;MM246696;NN=CCN(O)C=NC=O;RZEOIGQDWICVNV-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246697;MM246697;O=c1cc(CO)[nH]n1O;FSJUMDOOBLNEMO-UHFFFAOYSA-N;130.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246698;MM246698;C=CC(C)CC(=O)C(=C)F;WFQAJPCPLYHTEF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246699;MM246699;C=CC(C)NC(=N)C(=C)C;FAOUTYMYGSASFE-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246700;MM246700;CNN(C)C(=O)NCCF;IZHRPJDZTOZHRU-UHFFFAOYSA-N;149.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246701;MM246701;CNC(=O)N(N)CC=CF;UEACSFKSVNCCSS-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246702;MM246702;CC(C=O)N=C(N)C(=N)N;MVECZBCGAUZBMU-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246703;MM246703;CC(C=CCO)=CC(=O)O;MRDQLZHPKBCENG-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246704;MM246704;C=C(F)C(=N)NC(C)C#N;HHXWMFYTECXJGY-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246705;MM246705;CC(C=O)NC(=O)C(N)=O;ZPGBTNNGTDSJAH-UHFFFAOYSA-N;144.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246706;MM246706;C=C(F)C(=O)NC(C)C#N;MGPYUALSNPHTCB-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246707;MM246707;C=C(C)C(=C)OC(C)C#N;UEFRBTIXQUSNEY-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246708;MM246708;C=CC(C)OC(=C)C(C)=O;LCFLBVYBWAWFSP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246709;MM246709;C=C(OC(C)C=O)C(=N)N;ATGYGCVXINBLKX-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246710;MM246710;C=C(OC(C)C=O)C(N)=O;ZBGOOADGVRZJHY-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246711;MM246711;NN=c1[nH]c(=O)nnn1O;PAKPNBJWTABARN-UHFFFAOYSA-N;144.09;-3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246712;MM246712;O=CC(=NO)C1OC1C=O;BDIKKKRWYUUYSO-UHFFFAOYSA-N;143.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246713;MM246713;C=C(C)C(=O)OC(C)C=O;DYBFNOGJZRAJKE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246714;MM246714;C=C(C)C(=C)CN(C)C=N;JJUHJPKSOMAPED-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246715;MM246715;C=C(C)C(=C)CN(C)C=O;GNKLCWZUCRFIJY-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246716;MM246716;C=C(C)C(=C)CN(N)C=N;FIZTYYLZONOWNQ-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246717;MM246717;C=C(C)C(=C)CN(N)C=O;DPUYDBHCCHQNCB-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246718;MM246718;C=C(CN(C)C=N)C(C)=O;DWEHTTFGJVKALE-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246719;MM246719;N=CN=CN(N)C(=O)CF;SUVSXUUUYKSDJX-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246720;MM246720;C=C(CN(O)C=N)C(=N)N;PMZUDRCFFSBOTC-UHFFFAOYSA-N;142.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246721;MM246721;CON=CC(=O)C(=N)NO;HKRDEOMRZWMYNO-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246722;MM246722;C=C(F)C(=C)CN(C)C=O;KBYRAEQYPWVFLR-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246723;MM246723;C=C(C)C(=O)CN(C)C=N;NURUDJUBFRCSMB-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246724;MM246724;C=CC(O)CCC=NNC;HKTUOZMGDHYRLF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246725;MM246725;COC=NOCC(=N)NO;RSYPGNJPOWLCQJ-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246726;MM246726;CN(C=N)CC(=O)C(N)=O;SPKRUXRNVQRWQB-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246727;MM246727;CN(C=O)CC(=O)C(N)=O;SOUVORQGXQGILS-UHFFFAOYSA-N;144.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246728;MM246728;C=CC=NOCC(=N)NO;POLQTTHOELZTCI-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246729;MM246729;C=NN(C)CC(=C)C(=C)C;RGEROESZFXFXQC-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246730;MM246730;CCOC=NN=C(C)NO;JIPNVCDPWKPFSQ-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246731;MM246731;CCC(=O)C(=NO)C(C)F;LVOMATJUKOQGFV-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246732;MM246732;N#CC#Cc1cc(O)no1;BVLRCMZTTODEMP-UHFFFAOYSA-N;134.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246733;MM246733;C=C(C)C(=N)NN(C)C=N;BZKHQXJOMXNZMS-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246734;MM246734;CC#CC=NN=C(C)NO;RJDQZCYRYNLFHT-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246735;MM246735;CN(C=N)NC(=N)C(=N)N;XJYPBUSZXYTPOZ-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246736;MM246736;CC#CCN=CN(O)CC;ZLCLQZOWJIHPDK-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246737;MM246737;O=c1nnc(=NO)o[nH]1;JHDHTYLQANUADP-UHFFFAOYSA-N;130.06;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246738;MM246738;C=Cc1nnn(C)c1O;MYNXWDOESIGGEI-UHFFFAOYSA-N;125.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246739;MM246739;C=C(F)C(=N)NN(C)C=N;QNAIMNROHVNYSS-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246740;MM246740;NC(=CC=NOC=O)CO;YIDSDZDOYDHOBC-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246741;MM246741;CC(=O)C(=O)NN(C)C=O;UDQUHYNFYQHFJO-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246742;MM246742;CN(C=N)NC(=O)C(=N)N;DSEJPVSFEBBHRU-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246743;MM246743;CN(C=N)NC(=O)C(N)=O;AAUSSHUNZUEDGO-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246744;MM246744;C=C(F)C(=O)NN(C)C=N;WZGBXXJIEMPTMC-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246745;MM246745;C=C(F)C(=O)NN(C)C=O;VDZDFBISSOSDCJ-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246746;MM246746;C=C(F)C(=O)ON(C)C=O;ONAGIVBPHCLCQN-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246747;MM246747;C#CC(C)CC(=C)C(=C)C;ICYAMOATPKGUBN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246748;MM246748;C#CC(N)CC(=C)C(=C)C;HTICUGUTOPGMKY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246749;MM246749;C#CC(O)CC(=C)C(=C)C;HDAFSVPSCSMTCH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246750;MM246750;C#CC(F)CC(=C)C(=C)C;NTZSORYAQVANLY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246751;MM246751;C#CC(C)CC(=C)C(C)=O;WITIQNIBDIGUPO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246752;MM246752;C#CC(F)CC(=C)C(C)=O;BAHTZCSMAOYMED-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246753;MM246753;C#CC(C)CC(=C)C(=N)N;JOBKXIVRAWLPNY-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246754;MM246754;C#CC(N)CC(=C)C(=N)N;XTFPWIHSSIHUJK-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246755;MM246755;CC=NN=CC=C(N)CO;ZGFUFLNIBXTSNL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246756;MM246756;C#CC(C)CC(=C)C(=O)O;ZTDRAARSOZUXOW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246757;MM246757;NN=c1nnc(N)c(O)o1;JMGMTJUBBCJILO-UHFFFAOYSA-N;143.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246758;MM246758;C#CC(C)CC(=C)C(=C)F;XOFFRHJQQHYMHT-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246759;MM246759;C#CC(O)CC(=C)C(=C)F;KLVSPDMXXLEZQV-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246760;MM246760;C#CC(C)CC(=O)C(=C)C;ZQDOOYMMYYWLMR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246761;MM246761;C#CC(F)CC(=O)C(=C)C;LNWCRCLCCFGHGN-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246762;MM246762;C#CC(O)CC(=O)C(C)=O;RZLZRQKCJPVYEY-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246763;MM246763;CCOC(=NN)C(=N)NO;SXRVJGXZJSXSAM-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246764;MM246764;C=CC(=O)C(=NCC)NO;YWQPBUNFZIHTTK-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246765;MM246765;C#CC(C)NC(=N)C(=C)C;JDEXPLKQAQNFMV-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246766;MM246766;C#CC(C)NC(=N)C(=N)N;IUWATLAPJDTIAC-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246767;MM246767;CNN=C(CCOC)NO;HYTVAQJQAHEDFJ-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246768;MM246768;CC(C)=NOC(C#N)=NO;UAVNWXFEMBIRMF-UHFFFAOYSA-N;141.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246769;MM246769;C#CC(C)OC(=C)C(=C)C;UWWTTYSVXMYKHQ-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246770;MM246770;C#CC(C)OC(=C)C(N)=O;FPVRGQUJGGUXPU-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246771;MM246771;Cn1nc(O)oc1=N;KBIKFQNKHMMCSD-UHFFFAOYSA-N;115.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246772;MM246772;C#CC(C)OC(=O)C(=N)N;SYRKWRDVZAGYTL-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246773;MM246773;C=C(CC)CC(=C)C(=C)C;QKHWHGBOUSCPFC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246774;MM246774;C=C(CN)CC(=C)C(=C)C;KLTGGEZTBMVBNC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246775;MM246775;C=C(CO)CC(=C)C(=C)C;HPJJDBZTRNUSSM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246776;MM246776;C=C(CF)CC(=C)C(=C)C;HECIZBOAVWNAIT-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246777;MM246777;C=C(C)C(=C)CC(=O)CC;KDKVKRPONWNGOH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246778;MM246778;C=C(C)C(=C)CC(=O)CF;CVUCJWTZPMYVHJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246779;MM246779;C=C(CC)CC(=C)C(C)=O;MURCTHPNFNWIKE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246780;MM246780;C=C(CF)CC(=C)C(C)=O;LFLSUDJVMKTYQM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246781;MM246781;C=C(CC(=O)CC)C(C)=O;CXFARXUVYFEERU-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246782;MM246782;C=C(CC(=O)CO)C(C)=O;OWBTTXQEHBEGBD-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246783;MM246783;C=C(CN)CC(=C)C(=N)N;XJHFZLFITYGBSG-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246784;MM246784;C=C(CO)CC(=C)C(=N)N;NWGYPJDNFBEIOE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246785;MM246785;C=C(CF)CC(=C)C(=N)N;OZGKDNGNQNDKQO-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246786;MM246786;C=C(CC(=O)CO)C(=N)N;WCQWRGNGCTZXNE-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246787;MM246787;C=C(CC(=O)CF)C(=N)N;SJTZOQCPKWGQNX-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246788;MM246788;CNN=C(CC=NN)NO;COXRMEOYQMQDON-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246789;MM246789;CC=NN=C(C=NN)NO;JTBFNXVQFZXOPZ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246790;MM246790;C=C(CN)CC(=C)C(=C)F;NWDGYWQRYMHGEU-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246791;MM246791;C=C(CO)CC(=C)C(=C)F;KUHYTEXXYOPSBF-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246792;MM246792;C=C(F)C(=C)CC(=O)CF;JIJQYQKKDOJQML-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246793;MM246793;C=C(CC)CC(=O)C(=C)C;DYEMWKFQOZZXDF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246794;MM246794;C=C(CF)CC(=O)C(=C)C;LEBCCVLLJYNCPN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246795;MM246795;C=C(C)C(=O)CC(=O)CC;JTAXJHNPYJDHFS-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246796;MM246796;C=C(C)C(=O)CC(=O)CO;NVNLQFVNRVYFBS-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246797;MM246797;C=C(C)C(=O)CC(=O)CF;AIGDFIGCFBPWMZ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246798;MM246798;NN=c1cc(O)[nH]n1O;WQTJQBDQFGZOFH-UHFFFAOYSA-N;130.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246799;MM246799;C=CC(C=O)CCC(=O)O;JNOMEAONBUSVND-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246800;MM246800;CN(C=O)N(C=N)C(N)=O;UENLQSNUDANZIQ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246801;MM246801;CNN(C(=N)C=O)C(N)=O;PMQSWEIQGVQLSH-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246802;MM246802;NC(=O)C(=O)CC(=O)CF;TZZUCCLMIKPWLS-UHFFFAOYSA-N;147.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246803;MM246803;Nc1[nH]n(O)c(=O)c1F;IKBDUBVDGQTZQG-UHFFFAOYSA-N;133.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246804;MM246804;C=C(CF)CC(=O)C(=C)F;BOGMWDYCXQQFNY-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246805;MM246805;C=C(C)C(=C)CC(=N)NC;XGFNRSYHZYZVCK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246806;MM246806;C=C(C)C(=C)CC(=N)NN;FHTUSRQXKNQRCS-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246807;MM246807;C=C(C)C(=C)CC(=N)NO;XIECMHMCGYUICO-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246808;MM246808;CC=NNC(CO)C(C)=O;FUJPCCDVBREPTO-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246809;MM246809;CC1N2N=C(NO)CC12C;DJDDTEYWUADNDL-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246810;MM246810;C=C(CC(=N)NO)C(C)=O;LRDABXQEDVUPDX-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246811;MM246811;C=C(CC(=O)NC)C(C)=O;ILICGFJSPHHXKA-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246812;MM246812;C=C(CC(=N)NC)C(=N)N;NAGATRHBOCVTET-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246813;MM246813;C=C(CC(=N)NN)C(=N)N;NSAOYCGMRGRPNB-UHFFFAOYSA-N;141.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246814;MM246814;C=C(CC(=N)NO)C(=N)N;LPVUZOGSSZMWLD-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246815;MM246815;C=C(F)C(=C)CC(=N)NC;QGHRWODBSVRCKI-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246816;MM246816;C=C(C)C(=O)CC(=N)NO;OSUNBVHUOKADNF-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246817;MM246817;C=C(C)C(=O)CC(=O)NC;HYGULSOWCWFHQY-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246818;MM246818;CC(=O)C(=O)CC(=N)NO;DWBVANULORDOQW-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246819;MM246819;N=c1nc(NO)c(N)no1;ALXNWASIBNGMKA-UHFFFAOYSA-N;143.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246820;MM246820;N=C(N)C(=O)CC(=O)NO;KKPOYDQGMVUZAW-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246821;MM246821;CN=C(N)CC(=O)C(N)=O;LIICHFHHXFMHII-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246822;MM246822;N=C(CC(=O)C(N)=O)NO;ZENJPXDPQRORIP-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246823;MM246823;CNC(=O)CC(=O)C(N)=O;UJWDAQZDRAFLBB-UHFFFAOYSA-N;144.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246824;MM246824;COn1oc(=NN)[nH]c1=O;CZQLSVRUNCIPCK-UHFFFAOYSA-N;146.11;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246825;MM246825;C=C(F)C(=O)CC(=O)NC;JXBZWCAQMPBEMI-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246826;MM246826;C=C(CC(=C)C(=C)C)OC;YMRBXDCNVCAXQH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246827;MM246827;C=C(C)C(=C)CC(=O)OC;TXWDPENMUKAPOY-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246828;MM246828;C=C(CC(=C)C(C)=O)OC;PJRMVVIRKSMQEZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246829;MM246829;C=C(CC(=O)OC)C(C)=O;OAXSVIVTXLIFDH-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246830;MM246830;C=C(C=O)CCCC(=O)O;VGSCRGJAYXQKBO-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246831;MM246831;C=C(CC(=O)C(=C)C)OC;NPMICQZQZZUSOW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246832;MM246832;C=C(C)C(=O)CC(=O)OC;UHLXTXULAPQFKG-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246833;MM246833;O=CC(CF)NN=CCO;YWYJQJWBYQWFAE-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246834;MM246834;CC=NOCC(=NC)NO;AUXSNKPEPCEJCD-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246835;MM246835;C=C(CC(=O)C(N)=O)OC;LSTLGJCSGGNREK-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246836;MM246836;COC(=O)CC(=O)C(N)=O;JPMBIKRXZMXQMM-UHFFFAOYSA-N;145.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246837;MM246837;C=C(C)C(=C)NC(=N)CC;CXSUGAYBYFASAA-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246838;MM246838;C=C(C)C(=C)NC(=O)CC;GEDWKRJSNSBSRA-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246839;MM246839;C=C(NC(=N)CC)C(=N)N;ZDPQOUWYLRMMFR-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246840;MM246840;C=C(NC(=N)CN)C(=N)N;QWXHZUKVGMIVFQ-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246841;MM246841;C=C(NC(=O)CC)C(=N)N;YODYFQRPPVRIRO-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246842;MM246842;C=C(NC(=O)CO)C(=N)N;HMPAIZJZAGIBDG-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246843;MM246843;C=C(NC(=N)CC)C(N)=O;JGTDBSNMEJWZDY-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246844;MM246844;COC=CN=C(C=O)NO;UOMMMOZWSPZILI-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246845;MM246845;N=c1nn[nH]c(=O)nc1O;HAEBGZWGXDJFPB-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246846;MM246846;C=C(CC)NC(=N)C(=C)C;NDALICKXPMIIQA-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246847;MM246847;C=C(CO)NC(=N)C(=C)C;WKWQIFLKIMGHFH-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246848;MM246848;C=C(C)C(=N)NC(=N)CC;OYXNOEGOHCOJMR-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246849;MM246849;CN1N=C(NO)C2CC21C;VBSQCGFUQCPVPV-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246850;MM246850;C#CCC(O)CCN1CC1;LQYGNXRNFQODTF-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246851;MM246851;CCN1N=C(NO)CC1C;ADZQSOUJKBIYHT-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246852;MM246852;C=C(CN)NC(=N)C(=N)N;JCMTYSGQVDTBJK-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246853;MM246853;C=C(CO)NC(=N)C(=N)N;WUZMVHXUIRWGDX-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246854;MM246854;N=C(CN)NC(=N)C(=N)N;QPBZEZGOLXJHJH-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246855;MM246855;N=C(CF)NC(=N)C(=N)N;DJDDYOZBRFWILA-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246856;MM246856;CCC(=O)NC(=N)C(=N)N;FZOPEVCMQYWNIQ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246857;MM246857;N=C(N)C(=N)NC(=O)CN;RMHFBRMYSDHRAA-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246858;MM246858;N=C(N)C(=N)NC(=O)CO;WYWUKVYJOYNSGC-UHFFFAOYSA-N;144.13;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246859;MM246859;N=C(N)C(=N)NC(=O)CF;AHDMQORLSRGDRT-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246860;MM246860;CCc1[nH]cc(CO)c1N;QWAAQZCHXHXTBH-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246861;MM246861;CNC(=O)C1NC1CC#N;SMNIVVAXIYOHPV-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246862;MM246862;OCC=NNCCCCO;QDEMFYBWDFHTIE-UHFFFAOYSA-N;146.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246863;MM246863;O=CNCCNN=CCO;PYGCODRVIHVYGU-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246864;MM246864;CCC1C(O)C1C=NOC;HTNRPGBSTGZGEE-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246865;MM246865;N=C(NC(=O)CO)C(N)=O;UVUYUOJXRRJYRU-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246866;MM246866;CCC(CO)C(=O)O;ZMZQVAUJTDKQGE-UHFFFAOYSA-N;118.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246867;MM246867;COC(=NO)C(CF)=NO;OKCVTEWHMLSBBX-UHFFFAOYSA-N;150.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246868;MM246868;C#CC(F)C(=NO)OCC;YDISXNQNQQKITC-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246869;MM246869;Oc1c(F)cnn1O;KJTKNZGQUIXURU-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246870;MM246870;Nc1c(O)nnn1N;CESFSNIZSXUKDX-UHFFFAOYSA-N;115.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246871;MM246871;CC(=O)C(=N)NO;KYDUMZULPJRCDW-UHFFFAOYSA-N;102.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246872;MM246872;CNc1ncc(C)o1;LCGRVXMZJRZUIF-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246873;MM246873;C=C(CO)NC(=O)C(N)=O;UHIDEXIKGJYWCQ-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246874;MM246874;CCC(=N)NC(=O)C(N)=O;NJUFXSCXXQTTIK-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246875;MM246875;N=C(CO)NC(=O)C(N)=O;REZZQVKUOLQAQX-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246876;MM246876;N=C(CF)NC(=O)C(N)=O;SFJIZKWFTIVMDF-UHFFFAOYSA-N;147.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246877;MM246877;CCC(=O)NC(=O)C(N)=O;LAHXCNRHAJZAQI-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246878;MM246878;NC(=O)C(=O)NC(=O)CO;WLFDNDPWABNBMU-UHFFFAOYSA-N;146.1;-2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246879;MM246879;Nn1nc(O)cnc1=O;RZWPWVRUENOMAZ-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246880;MM246880;N=c1c(=O)oc(=O)[nH]n1O;TZRGOYVTLORZAN-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246881;MM246881;N=c1[nH]nc[nH]oc(=O)[nH]1;NYDKJSSZRQBJBZ-UHFFFAOYSA-N;143.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246882;MM246882;C=NNC1CC(C(=O)O)C1;QYDFYFHBBQGFND-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246883;MM246883;O=C(CF)NC(=O)C(=O)O;CVVHCNHFXXZZFG-UHFFFAOYSA-N;149.08;-1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246884;MM246884;C=C(F)C(=O)NC(=N)CF;DNXMZKPMNRDZCZ-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246885;MM246885;C=C(F)C(=O)NC(=O)CF;BNEYOPMKVFPNQM-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246886;MM246886;C=C(C)C(=C)NC(=N)NC;AQOWEWVZTOGSAY-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246887;MM246887;C=C(C)C(=C)NC(=N)NN;DUQVZQUDLKDUTI-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246888;MM246888;C=C(C)C(=C)NC(=N)NO;UGJIEUHCFDSMCR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246889;MM246889;C=C(C)C(=C)NC(=O)NO;SUTVVMYPIGHREL-UHFFFAOYSA-N;142.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246890;MM246890;C=C(NC(=O)NO)C(C)=O;GQHIEHWLGJZLHH-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246891;MM246891;C=C(NC(=N)NN)C(=N)N;SOWOEPDDGLWBNS-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246892;MM246892;C=C(C)C(=N)NC(=N)NC;PCOMNNBFYRFCKQ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246893;MM246893;C=C(C)C(=N)NC(=N)NN;VBCMTFXZBLJANN-UHFFFAOYSA-N;141.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246894;MM246894;C=C(C)C(=N)NC(=N)NO;RHUIDQPWLQSTSN-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246895;MM246895;Cc1c(N)ccn1O;XYVTZDBEMKHZFU-UHFFFAOYSA-N;112.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246896;MM246896;CNC(=N)N=C(N)C(C)=O;SIFGJFXRYLXCJU-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246897;MM246897;CNC(=N)NC(=N)C(=N)N;MNXIOJPOPSYGGL-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246898;MM246898;CNC(=N)N=C(N)C(N)=O;LMYXMBUCVAMWNB-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246899;MM246899;N=C(N=C(N)C(N)=O)NN;WPKUSMXSBAXBJY-UHFFFAOYSA-N;144.14;-2.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246900;MM246900;CNC(=O)NC(=N)C(N)=O;IFDSDWKPEAOLRT-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246901;MM246901;C=C(F)C(=N)NC(=O)NN;OOMRWYOGVDWCCN-UHFFFAOYSA-N;146.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246902;MM246902;C=C(F)C(=N)NC(=O)NO;LVIFQPHMKPZBDP-UHFFFAOYSA-N;147.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246903;MM246903;C=C(C)C(=O)NC(=N)NN;CTJAKFSWZYZSOP-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246904;MM246904;CNC(=N)NC(=O)C(=N)N;HBDZZJJIKVJETN-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246905;MM246905;CC1C(O)C1C=NN;DHOMFSWJXBRBAI-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246906;MM246906;Cc1nc(=N)n(O)nc1O;PDPORSQIAXXUCN-UHFFFAOYSA-N;142.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246907;MM246907;C=C(F)C(=O)NC(=O)NC;VBSHOORHSJFBBB-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246908;MM246908;C=C(F)C(=O)NC(=O)NN;UUIWWWWNFSFVBW-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246909;MM246909;C=C(F)C(=O)NC(=O)NO;POZIQMADIHNZQT-UHFFFAOYSA-N;148.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246910;MM246910;C=C(NC(=O)OC)C(C)=O;NVXHGEHLTBJWAM-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246911;MM246911;C=C(NC(=O)OC)C(=N)N;IJSCLFOFDPXXTH-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246912;MM246912;CC(=NN(C)C=O)NO;WEFFEGZCXUAKET-UHFFFAOYSA-N;131.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246913;MM246913;COC(=N)N(N)C(N)=O;UFGLAMXCRMWMES-UHFFFAOYSA-N;132.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246914;MM246914;C=C(NC(=N)C(=N)N)OC;OFSYLYGLNWPRIY-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246915;MM246915;COC(=N)NC(=N)C(=N)N;QPAJUEKXTXLCPI-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246916;MM246916;CC(F)=C(F)C(=N)NO;LFVBUDXFPISLCH-UHFFFAOYSA-N;136.1;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246917;MM246917;CC(=O)CC(C)(C)C(=O)O;KWOHONYYAXGTMN-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246918;MM246918;O=CCC=CCCC(=O)O;HQJFXKNDKUKNGD-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246919;MM246919;C=C(NC(=N)C(=C)F)OC;QEQRMBDTGCPAIJ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246920;MM246920;C=C(F)C(=N)NC(=O)OC;DZMAMMYSNCMKCQ-UHFFFAOYSA-N;146.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246921;MM246921;C=C(NC(=O)C(=C)C)OC;NWEKCHMGENHEAV-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246922;MM246922;COC(=O)NC(=O)C(=O)O;WNAGFKPLTHMVNB-UHFFFAOYSA-N;147.09;-1.05;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246923;MM246923;C=C(F)C(=O)NC(=N)OC;YJPORVIHEGCYJV-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246924;MM246924;C=C(CC)OC(=C)C(=C)C;VSDSYLPBZPQMDL-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246925;MM246925;C=C(CF)OC(=C)C(=C)C;PTGGRCFEYLVNAJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246926;MM246926;C=C(C)C(=C)OC(=O)CF;IICIKQXROTWOGY-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246927;MM246927;C=C(OC(=O)CC)C(C)=O;XMUCBPZJDPBYQR-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246928;MM246928;C=C(OC(=O)CO)C(C)=O;RYUSSOOGWVQTPW-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246929;MM246929;C=C(CO)OC(=C)C(N)=O;VYSWYYNPNUPWIV-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246930;MM246930;NN=c1nnn(O)c(=O)[nH]1;BCPNOBWTHWRZRX-UHFFFAOYSA-N;144.09;-3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246931;MM246931;O=c1nnnc2[nH][nH]nc1-2;VKEOBKIFUVFEHF-UHFFFAOYSA-N;138.09;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246932;MM246932;C=C(CN)OC(=C)C(=C)F;ZNGMFNYLUPSWCM-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246933;MM246933;C=C(CC)OC(=O)C(=C)C;GPUPUIFCNMORFZ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246934;MM246934;C=C(CC)OC(=O)C(=N)N;RRNCGLCJHDUTFM-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246935;MM246935;CN(N)C(=O)NCCO;RKBZDMILBKLCLE-UHFFFAOYSA-N;133.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246936;MM246936;C=C(CO)OC(=O)C(N)=O;XLWXAGWNNQEPKX-UHFFFAOYSA-N;145.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246937;MM246937;C=C(CO)OC(=O)C(=C)F;PTZZAUKJPRSQGZ-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246938;MM246938;CCC(O)CNCC#N;NALGIWLNAVPMHM-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246939;MM246939;NN=c1[nH]c(=O)n(O)o1;LQMSZTGLWCTUQC-UHFFFAOYSA-N;132.08;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246940;MM246940;C=C(OC(=O)OC)C(=N)N;WWOJEXUNEUBUSR-UHFFFAOYSA-N;144.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246941;MM246941;C=CC(=C)CC(=C)C(=C)C;PPEMXQULZPHSSP-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246942;MM246942;C=C(C=O)CC(=C)C(=C)C;CGDIYTOFJWLHBG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246943;MM246943;C=C(C#N)CC(=C)C(=C)C;CLTQITGICHXTTM-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246944;MM246944;C=CC(=O)CC(=C)C(=C)C;BYODICKUJPZJMY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246945;MM246945;C=CC(=C)CC(=C)C(C)=O;CJBSGBKLGBGUDA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246946;MM246946;C=C(C#N)CC(=C)C(C)=O;FHKFLWXWHQQWKU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246947;MM246947;C=CC(=C)CC(=C)C(=N)N;DUSOVMBZZPTPSG-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246948;MM246948;C=C(C=O)CC(=C)C(=N)N;AQAZWRUPWHBEJY-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246949;MM246949;C=C(C#N)CC(=C)C(=N)N;KVXKJKRLOSGGEJ-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246950;MM246950;C=CC(=O)CC(=C)C(=N)N;PEUJQVAXOCUMCX-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246951;MM246951;CN=NC(=CNN)NO;LCCZZDVFHXDHJW-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246952;MM246952;C=C(C=O)CC(=C)C(=C)F;PFUMSOUTTODPHN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246953;MM246953;C=C(F)C(=C)CC(=O)C#N;BSDKCEKHHMAECC-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246954;MM246954;C=CC(=C)CC(=O)C(=C)C;RIJYRHWJAWEJLV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246955;MM246955;C=C(C#N)CC(=O)C(=C)C;HLUQIEKCJIEBTO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246956;MM246956;C=C(C#N)CC(=O)C(C)=O;JJSZZVYHSBERRP-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246957;MM246957;C=COC(=C)C(C)C(=O)O;NJKUPMWRHDCFLP-UHFFFAOYSA-N;142.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246958;MM246958;C=CC(=O)CC(=O)C(N)=O;QFIWVWDDJJVQIL-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246959;MM246959;CC=CC(=O)CCC(=O)O;WGVOURAXOWBRFH-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246960;MM246960;CC(C=O)=CCCC(=O)O;MKJHATWJESQASN-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246961;MM246961;C=CC(=O)NC(=C)C(=C)C;HGAUMGQVITZQEV-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246962;MM246962;C=C(C)C(=C)NC(=O)C#N;AXEXLTMUIJCYAH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246963;MM246963;C=CC(=O)NC(=C)C(=N)N;SRCDZTWZQJJSKA-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246964;MM246964;C=C(NC(=O)C=O)C(N)=O;ZRPCRIWRIUIPRH-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246965;MM246965;C=C(F)C(=C)NC(=O)C#N;HMQGARUDYQSORE-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246966;MM246966;C=CC(=C)NC(=N)C(=C)C;FDBIVPDHCATLPC-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246967;MM246967;C=C(C#N)NC(=N)C(=C)C;OVPOGXDBXPRJEG-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246968;MM246968;CC(O)C1CC(C#N)N1;DZTRMDOJYCWIAC-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246969;MM246969;C=C(C=O)NC(=N)C(=N)N;MCGVLTAEBRDSGB-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246970;MM246970;C=C(C#N)NC(=N)C(=N)N;YGTNAAXUEUUWTE-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246971;MM246971;C=C1C(C)=NN=C1NO;ASNZOIWSCHDCBV-UHFFFAOYSA-N;125.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246972;MM246972;Cc1[nH]cc(CO)c1N;OLAGHRIJNVHCAN-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246973;MM246973;CN=C(NO)C(F)=CF;OSEGVDIFEUCVII-UHFFFAOYSA-N;136.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246974;MM246974;C=CC(=O)NC(=N)C(N)=O;VLQMJWBRCZNWAO-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246975;MM246975;CC(=CC=O)CCC(=O)O;XPONUYBAESDEJK-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246976;MM246976;C=C(C=O)NC(=N)C(=C)F;IQTSXQQKGHGOMY-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246977;MM246977;C=CC(=O)NC(=N)C(=C)F;SHVFYSMUQZPNRP-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246978;MM246978;C=CC(=C)NC(=O)C(=C)C;AXWGYYINIMJYJE-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246979;MM246979;CC(O)C(C)NC(=N)C#N;FFBDDBVGLACLLJ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246980;MM246980;O=c1nccnc(=NO)[nH]1;LOOJLVSWIMXCST-UHFFFAOYSA-N;140.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246981;MM246981;C=CC(=O)NC(=O)C(N)=O;FUAJZZBJGZBXPM-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246982;MM246982;C=C(C=O)NC(=O)C(=C)F;CSVLEVUIHQVRLR-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246983;MM246983;C=C(C#N)NC(=O)C(=C)F;IGMONALXMVBLBU-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246984;MM246984;C=CC(=N)NC(=O)C(=C)F;ASOOQYNZGAAUKS-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246985;MM246985;C=CC(=O)NC(=O)C(=C)F;OMECYYKNXYQWQM-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246986;MM246986;C=CC(=C)OC(=C)C(=C)C;QOINJIMCWUFYJG-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246987;MM246987;C=C(C=O)OC(=C)C(=C)C;OBQMQBGZAGMAPU-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246988;MM246988;C=C(C#N)OC(=C)C(=C)C;HOUGZDYWOUDHLG-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246989;MM246989;C=CC(=O)OC(=C)C(=C)C;YDXFYEOHFXTUHG-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246990;MM246990;C=C(C)C(=C)OC(=O)C=O;MKXHUPHLIGUSCY-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246991;MM246991;C=C(C)C(=C)OC(=O)C#N;XMLFPCQIFFLGHK-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246992;MM246992;C=CC(=C)OC(=C)C(N)=O;HPUHJNZACPSDPI-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246993;MM246993;C=C(C=O)OC(=C)C(N)=O;ADJCQISGFAOIGR-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246994;MM246994;C=C(C=O)OC(=O)C(=C)C;HACLMDHDCTZHAY-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246995;MM246995;C=C(C#N)OC(=O)C(C)=O;ITFXLDIIPCBWQL-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246996;MM246996;C=CC(=C)OC(=O)C(N)=O;JAYWVAQZJMHGDZ-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246997;MM246997;N#CC(=NO)OC(=O)CO;SLEBEAZPKPNJDO-UHFFFAOYSA-N;144.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246998;MM246998;C#CC(=C)CC(=C)C(=C)C;QBVIXQHFROWHRY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM246999;MM246999;C#CC(=O)CC(=C)C(=C)C;RLMZWGHKLJSRSA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247000;MM247000;C#CC(=C)CC(=C)C(C)=O;GOSAGTNVECSUGG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247001;MM247001;C#CC(=O)CC(=C)C(C)=O;ZLHAVHNOSLJRGU-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247002;MM247002;C#CC(=C)CC(=C)C(=N)N;WICKVJKOVSTIDU-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247003;MM247003;C#CC(=O)CC(=C)C(=N)N;IKPKDBNUXZUBPI-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247004;MM247004;C#CC(=O)CC(=C)C(=C)F;GCSYHQAGVZMIGF-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247005;MM247005;C#CC(=C)CC(=O)C(=C)C;RKERXSDNNWDVER-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247006;MM247006;C#CC(=O)CC(=O)C(=C)C;UUSSFYQJZDYLMY-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247007;MM247007;C#CC(=C)CC(=O)C(C)=O;GYBVUMKVDKVTBF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247008;MM247008;C#CC(=O)CC(=O)C(=N)N;FEPINZAWJCQPEN-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247009;MM247009;C#CC(=O)CC(=O)C(N)=O;AFIPYIIDUXIZID-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247010;MM247010;C#CC(=N)NC(=C)C(=N)N;FKKNOZWNKGBRIZ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247011;MM247011;C#CC(=O)NC(=C)C(N)=O;JKBRJOUTEFYQPY-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247012;MM247012;C#CC(=C)NC(=N)C(=C)C;MGCPGDQWLZMRQF-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247013;MM247013;C#CC(=C)NC(=N)C(=N)N;UWHAIBKZICDKFM-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247014;MM247014;CC(=NN(C)C=NN)NO;KZBUCXFWHLMSKK-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247015;MM247015;CC(C)N=C(CC#N)NO;HOLVDRGLOMHRTF-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247016;MM247016;CCONC(=O)CO;DVVKLPDPFCRRKV-UHFFFAOYSA-N;119.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247017;MM247017;CCCONC(=O)CO;VBPMHWSUMHIAPS-UHFFFAOYSA-N;133.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247018;MM247018;C#CC(=C)NC(=O)C(=C)C;LOVNVORYEJHAHL-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247019;MM247019;C#CC(=C)NC(=O)C(N)=O;IQKXUSZZWRRZNI-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247020;MM247020;CC(C)=C(C(=O)O)C(C)O;IXPYVDOTDPAITP-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247021;MM247021;C#CC(=C)OC(=C)C(=C)C;HQDVRXIYLRSZFB-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247022;MM247022;C#CC(=O)OC(=C)C(=C)C;OUZWDXVURGILNC-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247023;MM247023;C#CC(=C)OC(=C)C(C)=O;IIXCTOLDZQRGDN-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247024;MM247024;C#CC(=C)OC(=O)C(C)=O;FPSOLULGSGJYLD-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247025;MM247025;CC=C(C)CC(C)C(C)C;VIDPHJZSLOANDP-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247026;MM247026;CC(=CF)CC(C)C(C)C;SQHWENBCJDUCBC-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247027;MM247027;CC=C(F)CC(C)C(C)C;KGMWNHLKBPRGGT-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247028;MM247028;CC(C)C(C)CC(F)=CF;GIZLGYDXUAALHA-UHFFFAOYSA-N;148.2;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247029;MM247029;CC=C(C)CC(C)C(C)N;QFFPGVXSRRMLGN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247030;MM247030;CC(=CF)CC(C)C(C)N;UXMXIOUPGIXSLU-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247031;MM247031;CC=C(F)CC(C)C(C)N;XDZDCVKADOJOKH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247032;MM247032;C=C(C)N=C(CC#N)NO;JBPNTVXPFHXHMI-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247033;MM247033;CC(O)C(C)CC(F)=CF;WZKIMQIIWVLUKG-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247034;MM247034;CC(=CF)CC(C)C(C)F;DNFDREMDOSIZBC-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247035;MM247035;CC(=CF)CC(C)C(F)F;YWBOBPGJCFUUCJ-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247036;MM247036;CC=C(C)CC(N)C(C)C;OOUYAAMRCYSZJS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247037;MM247037;CC(=CF)CC(N)C(C)C;KGVGPQJXSUYVNG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247038;MM247038;CC=C(F)CC(N)C(C)C;BVUPURHISXJKSA-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247039;MM247039;CC(C)C(N)CC(F)=CF;LGZFPNXANWNRFX-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247040;MM247040;CC(O)C(N)CC(F)=CF;SHCJWOUZOVGKKX-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247041;MM247041;CC=C(C)CC(N)C(C)F;VKHGAOOOMVWKHN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247042;MM247042;CC(=CF)CC(N)C(C)F;VCBYRZVRRJYJRK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247043;MM247043;CC=C(F)CC(N)C(C)F;RKMCUGHSXGSWFI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247044;MM247044;CC(F)C(N)CC(F)=CF;NKANCHAETJZLDS-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247045;MM247045;C=CC(CO)N(N)C(N)=O;XQDNRTARDQKPNL-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247046;MM247046;CC(C)C(O)CC(F)=CF;BTZXKHFZGZLNCW-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247047;MM247047;CC=C(C)CC(F)C(C)C;WAPCUAJOPAESED-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247048;MM247048;CC(=CF)CC(F)C(C)C;HBBXLUBIYZQEPC-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247049;MM247049;CC(C)C(F)CC(F)=CF;RZJIRNAPZLTJMO-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247050;MM247050;CC=C(C)CC(F)C(C)N;NSXQTVACSYIRGK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247051;MM247051;CC=C(F)CC(F)C(C)N;XORQUXNXSJRGEG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247052;MM247052;CC(=CF)CC(F)C(C)O;WMDWKGQPJJTGAJ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247053;MM247053;CC=C(C)CC(F)C(C)F;KEONRWBRYJWAPS-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247054;MM247054;CC(=CF)CC(F)C(C)F;YLCPONDZJNPAHI-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247055;MM247055;CC(=CF)CC(F)C(F)F;IEVMBIURMBAAIC-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247056;MM247056;CN=C(NO)C(F)=C(N)N;JNGOVOPCIOXJJY-UHFFFAOYSA-N;148.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247057;MM247057;CC(CC(C)C(C)O)=NO;IBDRNIAAWGDODR-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247058;MM247058;CC(CC(C)C(C)F)=NN;YGSRRQAXIVNMFR-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247059;MM247059;CC(CC(C)C(C)F)=NO;IFSMBOIGFIHYFC-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247060;MM247060;CC(CC(C)C(F)F)=NN;MJNZGKHNUYNLLE-UHFFFAOYSA-N;150.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247061;MM247061;CC(CC(C)C(F)F)=NO;CRSJAMWUMQTQIG-UHFFFAOYSA-N;151.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247062;MM247062;CC(CC(O)C(C)N)=NO;JUHRHIPPEBMVRO-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247063;MM247063;CC(CC(O)C(C)O)=NO;JFVXXYWJXVCKRV-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247064;MM247064;CC(CC(F)C(C)C)=NN;ZGRPASCLXJEGCP-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247065;MM247065;CC(CC(F)C(C)C)=NO;WRYQKIDLSOXTGP-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247066;MM247066;CC(CC(F)C(C)F)=NN;CAKDKWQHWCLJJG-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247067;MM247067;CC(CC(F)C(C)F)=NO;VVCARGZUSQMZOW-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247068;MM247068;CN=C(C)NC(C)C(C)C;RNGKKZHKXXIYBQ-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247069;MM247069;CC(=NC(C)C(C)N)NO;FNDHKCAIKCTBOJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247070;MM247070;CC(=NC(C)C(C)O)NN;JZFBELJKUUYRHQ-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247071;MM247071;CC=C(C)OC(C)C(C)C;WKJAMGGSBXGUEF-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247072;MM247072;CC(=CF)OC(C)C(C)C;WNMYDEXRKZLOHT-UHFFFAOYSA-N;146.21;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247073;MM247073;CC=C(C)OC(C)C(C)F;ULEJFICRJFFVTA-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247074;MM247074;CC(=NO)OC(C)C(C)O;DMGPQJMWEFBQJV-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247075;MM247075;CC=C(C)CC(C)N(C)C;CEGBLFBXNSCRAW-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247076;MM247076;CC(=CF)CC(C)N(C)C;HXJMJCPWRSRFAA-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247077;MM247077;CC=C(F)CC(C)N(C)C;AMNACFWSFCYGKX-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247078;MM247078;CC(=CF)CN(C)C(C)C;CWCDDQJSGJMZSM-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247079;MM247079;C=C(C)C(C)CC(C)=CC;BTMFOZVVHPOKKN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247080;MM247080;C=C(C)C(C)CC(F)=CC;BISQIAHSSWXHHJ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247081;MM247081;C=C(C)C(C)CC(F)=CF;YEYDOQFTGKUSOF-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247082;MM247082;CC=C(C)CC(C)C(C)=O;SSBDBEOOZDGECB-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247083;MM247083;CC(=O)C(C)CC(C)=CF;ONFCSLSHJCFSRI-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247084;MM247084;CC=C(F)CC(C)C(C)=O;AICYGPNYVHIYFE-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247085;MM247085;CN(C)C(N)=C(C=O)CO;UIMOMYHAZQQWPI-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247086;MM247086;CC=C(F)CC(C)C(N)=O;VVTIWSSWKMIXCZ-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247087;MM247087;CC(=CF)CC(C)C(=O)O;LAIVQHFTGKQBLD-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247088;MM247088;CC=C(F)CC(C)C(=O)O;QYZCIOAUMPBWTH-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247089;MM247089;C=C(C)C(N)CC(C)=CC;SPSIDECZSWXVSL-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247090;MM247090;C=C(C)C(N)CC(C)=CF;GHXHVUPOWVUKIE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247091;MM247091;C=C(C)C(N)CC(F)=CC;SHQADPTUGLJUSB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247092;MM247092;CC1CN1CC#CC(N)=O;NTXDHZULRLXEMC-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247093;MM247093;C=C(C)C(O)CC(C)=CF;MYDPGNPPJYWPFE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247094;MM247094;C=C(C)C(O)CC(F)=CF;IGAFBPSRSPKUPM-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247095;MM247095;C=C(C)C(F)CC(C)=CC;XKLYUZHTQQJWJO-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247096;MM247096;C=C(C)C(F)CC(F)=CC;FCFZPMPESQRWKK-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247097;MM247097;CC=C(C)CC(F)C(C)=O;SKLXOHGXEMNIEX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247098;MM247098;CC=C(F)CC(F)C(C)=O;GOVOHWXQJZYBNX-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247099;MM247099;CC(=O)C(F)CC(F)=CF;ZPTUGZKJOLLORL-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247100;MM247100;CC(=CF)CC(F)C(N)=O;GIVZZLFFTPHUQY-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247101;MM247101;CC=C(C)CC(F)C(=O)O;IYMOQGDCSQOZGT-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247102;MM247102;CC(=CF)CC(F)C(=O)O;KSNKKWBGBSHFHP-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247103;MM247103;CC=C(F)CC(F)C(=O)O;RLPGMQXKOXYZGA-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247104;MM247104;O=C(O)C(F)CC(F)=CF;DYGLHSMCDYXKGX-UHFFFAOYSA-N;154.09;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247105;MM247105;C=C(C)C(C)CC(C)=NN;QZBKDSSFISICRG-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247106;MM247106;C=C(C)C(C)CC(C)=NO;BXYRRBMRVIXYMG-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247107;MM247107;CC(=O)C(C)CC(C)=NO;XKDPXBQDNOINHR-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247108;MM247108;COC(=N)NN=C(C)NO;MADNAMIQFCSPEF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247109;MM247109;CC(CC(C)C(N)=O)=NO;LAUMPARAYXFRDL-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247110;MM247110;C#CC(C)N=C(C=O)NO;UPLPPFHLCZVCBD-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247111;MM247111;C=C(C)C(O)CC(C)=NO;JRYLZBGSWFNEIG-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247112;MM247112;CC(CC(O)C(=N)N)=NO;YPAJAMJKPWHGOO-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247113;MM247113;CC(CC(O)C(N)=O)=NO;WNWLFHRBSVAWJM-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247114;MM247114;CN(C)N=CC(=NN)NO;HJNIOMPWBNWNTJ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247115;MM247115;C=C(F)C(O)CC(C)=NO;YMBVYFWXZAZKBR-UHFFFAOYSA-N;147.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247116;MM247116;C=C(C)C(F)CC(C)=NN;WGGXITZRUUMHGN-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247117;MM247117;C=C(C)C(F)CC(C)=NO;ZJCXKZVVNNCRHC-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247118;MM247118;C=C(C)C(C)NC(C)=NC;HLKKVTYHHQTEQU-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247119;MM247119;C=C(C)C(C)N=C(C)NN;ALPCBHHGOQGLNT-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247120;MM247120;CN=C(C)NC(C)C(=N)N;PMGZDAVYJFTKIM-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247121;MM247121;CC(=NC(C)C(=N)N)NN;MUHZFCMIHFTTOD-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247122;MM247122;CN=C(C)NC(C)C(N)=O;DKVITXHLSZORDP-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247123;MM247123;CC=C(C)OC(C)C(=N)N;SVAIFSWHIAOZJB-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247124;MM247124;CC=C(C)OC(C)C(N)=O;CCTSSDJTGSJDEJ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247125;MM247125;CCC1(CO)CC1C(=O)O;LIKJYCBEXRWILG-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247126;MM247126;CC=C(C)CN(C)C(C)=N;ZHAFCZZBKPQUFS-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247127;MM247127;CC(=N)N(C)CC(C)=CF;CLLXLDAGGPOEOW-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247128;MM247128;CC(=N)N(C)CC(F)=CF;IJWTWYNNTHCGCV-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247129;MM247129;CC=C(C)CN(C)C(C)=O;WFOVZOZXDMOCKM-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247130;MM247130;CC(=CF)CN(C)C(=N)N;HQRQGOKSNTXATK-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247131;MM247131;CC=C(F)CN(C)C(=N)N;SEDXYOJPZOMMOM-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247132;MM247132;CC=C(F)CN(C)C(N)=O;TYBUZJHVVLEARO-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247133;MM247133;CC=C(C)CN(N)C(C)=O;INDPWIJHZUANSK-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247134;MM247134;CC(=O)N(N)CC(F)=CF;OVICHHJYZZRMON-UHFFFAOYSA-N;150.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247135;MM247135;N=C(N)N(N)CC(F)=CF;LIBQQWKTJMRJGI-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247136;MM247136;NN=C(C=CC(N)=O)NO;BABOZLBDGFUULD-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247137;MM247137;CC=C(C)CN(O)C(C)=N;MAWXRKKQUXHMIG-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247138;MM247138;CC=C(F)CN(O)C(N)=O;PXVHBSSKDAMZAT-UHFFFAOYSA-N;148.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247139;MM247139;CC(=O)N(C)CC(C)=NN;ONEHMGAOHJHRFL-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247140;MM247140;CC(CN(C)C(=N)N)=NO;RXICKOPQZHDWAD-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247141;MM247141;CC(CN(C)C(N)=O)=NO;FJFPLIHHUIBVQK-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247142;MM247142;CC(CN(N)C(=N)N)=NN;AYONZMPPXJPGMG-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247143;MM247143;CC(CN(N)C(=N)N)=NO;VETHFSLOJIZUSJ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247144;MM247144;N=C(NO)C(F)=C(N)C=O;LBKWOYMTEFNUNG-UHFFFAOYSA-N;147.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247145;MM247145;CC(CN(N)C(N)=O)=NO;JZHLMMHFUJCZTL-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247146;MM247146;CC(CN(O)C(=N)N)=NN;XVKJKTVNPDVEQU-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247147;MM247147;CC(CN(O)C(=N)N)=NO;VQVJQHWVOKZHIE-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247148;MM247148;CC(CN(O)C(N)=O)=NN;KLVORJWYFQFURG-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247149;MM247149;CC(CN(O)C(N)=O)=NO;JULOWAIZOGJLGA-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247150;MM247150;CN=C(C)NN(C)C(C)=N;AYHSTXRYDADOCK-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247151;MM247151;CC(=N)N(C)NC(C)=NO;ILNHEDAXYXGENO-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247152;MM247152;CN=C(C)NN(C)C(C)=O;FPSGBBAVSZQKBI-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247153;MM247153;CN=C(C)NN(C)C(=N)N;WJRGPLTYTQLDMB-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247154;MM247154;CC(=NN(C)C(=N)N)NN;PDSBVBPJJSDIIZ-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247155;MM247155;CN=C(C)NN(C)C(N)=O;NUHDXYAUIWCOBH-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247156;MM247156;CC(=N)N(C)OC(C)=NO;CHBZBCYHNXHXME-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247157;MM247157;COCCC(=O)C(=N)NO;NNXMYUKZRRHDHB-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247158;MM247158;CC(=O)N(C)OC(C)=NO;VMZIDLBXPVHEOU-UHFFFAOYSA-N;146.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247159;MM247159;CC(=NN)ON(C)C(=N)N;IPLJSVKUGUXLDA-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247160;MM247160;C=CC(O)CCCON=C;MHNHRXBYIDYEBK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247161;MM247161;C=C(CC(C)=CC)C(C)C;OZHLDHGCSRNIQW-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247162;MM247162;C=C(CC(C)=CF)C(C)C;NYJZXNRKJJASMO-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247163;MM247163;C=C(CC(F)=CF)C(C)C;ZLYBOMZMVYABBN-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247164;MM247164;C=C(CC(C)=CC)C(C)N;NKWPXYDKUMEGDP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247165;MM247165;C=C(CC(C)=CF)C(C)N;JJLCOAKADDAUDB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247166;MM247166;C=C(CO)CON=CNO;VZOZBQLOWYERRG-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247167;MM247167;C=C(CC(F)=CC)C(C)O;YWHZFENONYBAHW-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247168;MM247168;C=C(CC(F)=CF)C(C)O;RUQQVYWLPJYXIO-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247169;MM247169;C=C(CC(C)=CC)C(C)F;CAZVQTJWWWHOSV-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247170;MM247170;CC(=CF)CC(=O)C(C)C;XWTIFWCPZYMLPF-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247171;MM247171;CC=C(F)CC(=O)C(C)C;BDWQVMIJSJBIFD-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247172;MM247172;CC(C)C(=O)CC(F)=CF;ILBDPJXFAFDCMP-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247173;MM247173;CC(=CF)CC(=O)C(C)F;LQFNFPRRRVOFBN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247174;MM247174;CC=C(F)CC(=O)C(C)F;BZJOSQHSXRJQMF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247175;MM247175;C=C(CC(C)=NN)C(C)C;OABQBMFQPNMELY-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247176;MM247176;C=C(CC(C)=NO)C(C)C;IGYQQCHHISMXAT-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247177;MM247177;C=C(CF)C(=NOC)NO;VRQSKLLOTOYJGJ-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247178;MM247178;C=C(CC(C)=NO)C(C)O;PAMQHAGCFFRCSZ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247179;MM247179;C=C(CC(C)=NO)C(F)F;IVZYLVSVGZGECS-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247180;MM247180;CC(CC(=O)C(C)C)=NO;FXNJUKSZACPVFQ-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247181;MM247181;CC(=CF)NC(=N)C(C)C;JFIFMSLAHJHKKU-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247182;MM247182;CC(=CF)NC(=N)C(C)O;JPBBOVAIMJPKLP-UHFFFAOYSA-N;146.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247183;MM247183;CC(=CF)NC(=O)C(C)C;YKLMDFFCHPFPGG-UHFFFAOYSA-N;145.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247184;MM247184;C=C(N=C(C)NN)C(C)C;KTCWFODBONITOO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247185;MM247185;C=C(N=C(C)NO)C(C)C;KKXCVIMRPCBAKM-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247186;MM247186;C=C(NC(C)=NC)C(C)N;WKFHMMXAIYEFRN-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247187;MM247187;C=C(N=C(C)NO)C(C)N;INASUPHOZRNVHF-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247188;MM247188;C=C(NC(C)=NC)C(C)O;GZTBEQDJRFPHEV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247189;MM247189;CN=C(C)NC(=N)C(C)C;PHKSIYPBCMIRAG-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247190;MM247190;CN=C(C)NC(=O)C(C)O;ONTYRHBWEUBEPM-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247191;MM247191;CC(=NN)NC(=O)C(C)O;CDBKEYNUMVHLEO-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247192;MM247192;CC(=NO)NC(=O)C(C)O;CYULDOOSFVMGBJ-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247193;MM247193;CC(=NN)NC(=O)C(C)F;WEOZQTCYGXYVHD-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247194;MM247194;C=C(OC(C)=CC)C(C)C;ILZGRPCYWSUJBI-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247195;MM247195;C=C(OC(C)=CF)C(C)C;VQCRUEKSVFHPEY-UHFFFAOYSA-N;144.19;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247196;MM247196;C=C(OC(C)=CF)C(C)N;SGLONFUJIFOPAS-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247197;MM247197;C=C(OC(C)=CC)C(C)O;GDTLHHFGQJDVRE-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247198;MM247198;C=C(OC(C)=CF)C(C)O;RVZIQHQNZPRPJI-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247199;MM247199;CC=C(C)OC(=O)C(C)C;KRLRPNMLMROWST-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247200;MM247200;CC=C(C)OC(=O)C(C)F;DMQVSOXJTJGXAF-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247201;MM247201;C=C(OC(C)=NO)C(C)C;GBDYQHUWEKCWLQ-UHFFFAOYSA-N;143.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247202;MM247202;C=CC(=C)C(=NOC)NO;WACWPLLKBIGLHD-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247203;MM247203;CC=C(F)CC(=N)N(C)C;WKBAOZJNFOTVBM-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247204;MM247204;CN(C)C(=N)CC(F)=CF;JDNPAGRMWXYYIV-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247205;MM247205;CC(=CF)CC(=N)N(C)N;VMJARRHEKKNPEP-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247206;MM247206;CN(C)C(=O)CC(F)=CF;BCBNUVUFZNWITM-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247207;MM247207;CC=C(C)CC(=O)N(C)N;HVSJXDULPIQZIP-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247208;MM247208;CON=C(NO)C(C)=CF;RHQKHLVKFGIPTP-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247209;MM247209;CC=C(C)CC(=O)N(C)O;XURTYEKVVGWZRM-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247210;MM247210;CC=C(F)CC(=O)N(C)O;QJMDWRVBVBUSSN-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247211;MM247211;CN(O)C(=O)CC(F)=CF;NLVOOWUSXZGIQZ-UHFFFAOYSA-N;151.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247212;MM247212;CC(CC(=N)N(C)C)=NN;NMDGMRHFHXJMQM-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247213;MM247213;CC(CC(=N)N(C)C)=NO;PHHVQZROUYBOJD-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247214;MM247214;CC=C(C)NC(=N)N(C)C;QYVROSYGZRZJJX-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247215;MM247215;CN=C(C)NC(=N)N(C)C;WCRGKVQSGJKWMD-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247216;MM247216;CC(=NO)NC(=N)N(C)C;CAQHPVVUZCUQPQ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247217;MM247217;CN=C(C)NC(=N)N(C)N;XMIUHQOLDHVRBW-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247218;MM247218;CC(=NN)NC(=N)N(C)N;GSULQOBSRIMERW-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247219;MM247219;CN=C(C)NC(=N)N(C)O;HPYCSCLEEVWGHZ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247220;MM247220;CC(=NN)NC(=N)N(C)O;HPMCTNMQGFNXLD-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247221;MM247221;CNN=C(C#N)C(=N)NO;PYHSSKIZCSHXRM-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247222;MM247222;CC(=NN)NC(=O)N(C)N;XPKVBGOXDPMMFJ-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247223;MM247223;CN=C(C)NC(=O)N(C)O;DBDAJWOUKYCREB-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247224;MM247224;CC(=NN)OC(=N)N(C)C;JEEXWPMLKPAUAB-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247225;MM247225;CC(=NO)OC(=O)N(C)C;UZOIFIIJUHOWCP-UHFFFAOYSA-N;146.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247226;MM247226;C=C(C)C(=C)CC(C)=CC;NUVZHUHADLUEJS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247227;MM247227;C=C(C)C(=C)CC(F)=CC;MLZPKXWYVMCLCD-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247228;MM247228;C=C(C)C(=C)CC(F)=CF;JIYGAWRINLCUHA-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247229;MM247229;C=C(CC(C)=CC)C(C)=O;ZQMXFBOSGBDHPK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247230;MM247230;C=C(CC(C)=CF)C(C)=O;HTTDUQXUDXRNFP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247231;MM247231;C=C(CC(F)=CC)C(C)=O;DREPKQRWLLKYBC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247232;MM247232;C=C(CC(F)=CF)C(C)=O;DBFYTQALDMJSLT-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247233;MM247233;C=C(CC(C)=CC)C(=N)N;IKORSXFCMBEGGI-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247234;MM247234;C=C(CC(F)=CF)C(=N)N;UCVBHXJHKQGQAW-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247235;MM247235;CON=C(C#N)C(=N)NO;LNWIXGNNYUYQGF-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247236;MM247236;C=C(CC(C)=CC)C(=O)O;UESCKZCEGKHVSC-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247237;MM247237;C=C(C)C(=O)CC(C)=CC;NKKWHAPCNVOSCV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247238;MM247238;C=C(C)C(=O)CC(C)=CF;RMKCGWSLKANZNA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247239;MM247239;C=C(C)C(=O)CC(F)=CC;NKDMCNSRXUISQB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247240;MM247240;C=C(C)C(=O)CC(F)=CF;TUVRIUGSZZZXSQ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247241;MM247241;CC=CN=C(CC#N)NO;LLFGORJMFKAZMB-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247242;MM247242;CCN=NC(=CNN)NO;SQEJIYRTPATEGT-UHFFFAOYSA-N;145.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247243;MM247243;NC(=O)C(=O)CC(F)=CF;UWRADDXINMWWGL-UHFFFAOYSA-N;149.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247244;MM247244;C=C(F)C(=O)CC(C)=CF;ZQVAPQJPBZKBMX-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247245;MM247245;C=C(C)C(=C)CC(C)=NN;RVRRHDWVSQAOHH-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247246;MM247246;C=C(C)C(=C)CC(C)=NO;JRWBWCCORXUHAA-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247247;MM247247;C=C(CC(C)=NO)C(C)=O;SQQKTLTWHYHLFX-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247248;MM247248;CNN=C(C=NOC)NO;UGDMFZZEOYNSGP-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247249;MM247249;C=C(C)C(=O)CC(C)=NO;TVTPXDJEMHDGSH-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247250;MM247250;CN(C)C(CO)C(=O)C#N;FZQLZNLFNPQIEF-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247251;MM247251;C=C(C)C(=N)NC(C)=CC;HPKJQCMXXMQMNN-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247252;MM247252;C=C(C)C(=N)NC(C)=CF;ZEIUWVBRWIIQAD-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247253;MM247253;Nc1onc(O)c1O;MDHGIKSHYWBOCF-UHFFFAOYSA-N;116.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247254;MM247254;CC=C(C)NC(=O)C(N)=O;RYZNRCFKQQSDIF-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247255;MM247255;CC(=CF)NC(=O)C(=O)O;GWLSZMZWKBQTOL-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247256;MM247256;C=C(C)C(=C)NC(C)=NC;KNIPYVHVGVWGBN-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247257;MM247257;C=C(NC(C)=NC)C(=N)N;AEXFIPGCNFYTMZ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247258;MM247258;C=C(NC(C)=NN)C(=N)N;MDOKOUINMOGPPA-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247259;MM247259;C=C(NC(C)=NC)C(N)=O;MEBIZQBCTMBWCW-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247260;MM247260;C=C(C)C(=N)NC(C)=NC;WCDBVGSXXRZLNK-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247261;MM247261;CN=C(C)NC(=N)C(=N)N;WYNGVJXIRMRVKQ-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247262;MM247262;CC(=NN)NC(=N)C(=N)N;NUHBMSGHKNWOBE-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247263;MM247263;CC(=NO)NC(=N)C(=N)N;LTVCVMBLKPFLNF-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247264;MM247264;C=C(C(C)O)C1CN1CC;NKXPVNWIUNCAMY-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247265;MM247265;C=NN1CC1C(=C)C(C)O;AXQSWOXVENEQOG-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247266;MM247266;CC(=NO)N=C(N)C(N)=O;AISXWWRIOHDKQA-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247267;MM247267;Cn1nc(O)c(O)c1O;VWKHPYXMCJSXOS-UHFFFAOYSA-N;130.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247268;MM247268;Nn1nnc(=O)[nH]c1=NO;UIEBAWCJMGJALE-UHFFFAOYSA-N;144.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247269;MM247269;Nn1nnc(=NO)[nH]c1=O;LHEOSXMBPHOFPI-UHFFFAOYSA-N;144.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247270;MM247270;C=C(C(C)O)C1C(C)N1C;YFGXYLAXEIKING-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247271;MM247271;CN=C(C)NC(=O)C(N)=O;QZRSFEKHSLBDBR-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247272;MM247272;CC(=NN)NC(=O)C(N)=O;KBVCOPIITQSYNR-UHFFFAOYSA-N;144.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247273;MM247273;C=C(F)C(=O)NC(C)=NC;SCLUTFDSYDPBHM-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247274;MM247274;C=C(C)C(=C)OC(C)=CC;XQDHFFLLYJAYEK-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247275;MM247275;C=C(OC(C)=CC)C(C)=O;KMBJMNYHZQMBCD-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247276;MM247276;C=C(OC(C)=CC)C(=N)N;BBOJGMZXNCUWQR-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247277;MM247277;C=C(OC(C)=CF)C(=N)N;GWSMNVSZCJMEJM-UHFFFAOYSA-N;144.15;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247278;MM247278;C=C(OC(C)=CC)C(N)=O;HELKPZVTCNFSJY-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247279;MM247279;C=C(OC(C)=CF)C(N)=O;MPFNQFLFEBNEID-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247280;MM247280;CN=c1nnnc(O)n1O;RGXYWNRMWXRZIQ-UHFFFAOYSA-N;143.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247281;MM247281;C=C(C)C(=O)OC(C)=CC;FHXUCGOZKUVZAJ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247282;MM247282;CC(=O)C(=O)OC(C)=CF;XGJYOEJSXCFXMV-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247283;MM247283;CC=C(C)OC(=O)C(=N)N;GMQKDQAMHMYNJW-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247284;MM247284;C=C(C)C(=C)OC(C)=NO;ZBYNNZFLMSILLC-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247285;MM247285;C=C(OC(C)=NN)C(=N)N;SZLIENICVFVNRM-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247286;MM247286;N=c1nnn(N)cc1CO;XZFXFZOLDVKDHU-UHFFFAOYSA-N;141.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247287;MM247287;Cn1cc(CO)c(=NN)o1;LRBJHSXNSULLMX-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247288;MM247288;CC(=NN)OC(=O)C(N)=O;MUHBVXSZWLAGRH-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247289;MM247289;CCC(C)=CC(C)C(C)C;VTNZUEDTFDLMGI-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247290;MM247290;CC(=CC(C)C(C)C)CN;BPFROGUHCOPEDN-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247291;MM247291;CC(=CC(C)C(C)C)CO;VUWSWTDKDIUMIY-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247292;MM247292;CC(=CC(C)C(C)C)CF;JMNONIXRFHCJQZ-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247293;MM247293;CC(C)C(C)C=C(F)CF;DAONSCSDMAEACN-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247294;MM247294;CCC(C)=CC(C)C(C)N;CJXRGCXVKDHZDS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247295;MM247295;CC(=CC(C)C(C)N)CO;WZNGXJWPHGRSFV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247296;MM247296;CC(=CC(C)C(C)N)CF;VYKZUXOJPZQSIK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247297;MM247297;CCC(F)=CC(C)C(C)N;JWSOKCLUPMNZSA-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247298;MM247298;CC(N)C(C)C=C(F)CF;HUQCJSDMUNXFJK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247299;MM247299;COCCN=C(C=O)NO;CLCHOMREEAXCNR-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247300;MM247300;CC1CC1N=C(C=O)NO;XHZGUUDPKABGIU-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247301;MM247301;CC(O)C(C)C=C(F)CO;MWFFZCNBPSZUKT-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247302;MM247302;CC(=CC(C)C(C)F)CN;ITNSVPVZDOWRIY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247303;MM247303;CC(=CC(C)C(C)F)CF;LLWGQMBMHSYACX-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247304;MM247304;CC(=CC(C)C(F)F)CO;PITSUWDVHNMIJT-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247305;MM247305;CC(=CC(C)C(F)F)CF;WVFQAZUDGQUCRB-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247306;MM247306;CCC(F)=CC(C)C(F)F;DZHCUDTZDXJXLL-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247307;MM247307;CCC(C)=CC(N)C(C)C;LNAQUBHDEHSXNB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247308;MM247308;CC(=CC(N)C(C)C)CO;AFBAYZVRSXUHOR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247309;MM247309;CC(C)C(N)C=C(F)CN;UDYXGHLNQNFRKQ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247310;MM247310;CC(C)C(N)C=C(F)CF;LGWWDDUTSPXLGL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247311;MM247311;CC(=CC(N)C(C)N)CN;KJIZTXUQMSXEFN-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247312;MM247312;CC(=CC(N)C(C)N)CO;SEHNAPOCQDUGEK-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247313;MM247313;CC(N)C(N)C=C(F)CF;FNIVQUNKAGEBIO-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247314;MM247314;CCC(C)=CC(N)C(C)F;LZJUDZXVAQZUOQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247315;MM247315;CCC(F)=CC(N)C(C)F;KAKPMQRJKAGGNK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247316;MM247316;CC(F)C(N)C=C(F)CN;PYNWFYKPWYZULX-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247317;MM247317;CC(=CC(N)C(F)F)CN;UKHGKNXFTPDQDI-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247318;MM247318;CC(O)C1=CC(=NN)CC1;MWVVOGUFCNRXRX-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247319;MM247319;CC(=CC(O)C(C)C)CO;GSDMKBCIAZQPBT-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247320;MM247320;CC(=CC(O)C(C)C)CF;LZSALNKISUTVAM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247321;MM247321;CCC(F)=CC(O)C(C)C;SNKYDYSHRBTXIM-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247322;MM247322;CC(C)C(O)C=C(F)CO;OPIVHMCSAPTZFA-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247323;MM247323;CC(N)C(O)C=C(F)CN;RKBPXKYKNYOZBO-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247324;MM247324;CC(N)C(O)C=C(F)CO;FMRNFFCSBKZWBW-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247325;MM247325;CC(=CC(O)C(C)O)CO;GHQLFJINPQSZRK-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247326;MM247326;CC(=CC(O)C(C)O)CF;SJPZPQYAIVIOIA-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247327;MM247327;CC(O)C(O)C=C(F)CO;WQBGUZGCMGRKHJ-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247328;MM247328;CCC(C)=CC(O)C(C)F;IMMUOUTVXGKSIA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247329;MM247329;CC(=CC(O)C(C)F)CO;BDUKCUUWIXBKDB-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247330;MM247330;CC(=CC(O)C(C)F)CF;CTEGBHAITMQRLX-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247331;MM247331;CC(F)C(O)C=C(F)CO;WDHXPGLHFLFLPO-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247332;MM247332;OCC(F)=CC(O)C(F)F;JNGFFVYUKIUGPA-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247333;MM247333;CCC(C)=CC(F)C(C)C;PUULWNGNTSNKGL-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247334;MM247334;CC(=CC(F)C(C)C)CN;LWBPAJPXXVTBPK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247335;MM247335;CC(=CC(F)C(C)C)CF;YCVHGAQJTOSWSP-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247336;MM247336;CC(C)C(F)C=C(F)CF;SBNVRNFQTURYNZ-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247337;MM247337;CCC(C)=CC(F)C(C)N;QYFUJCGVWDNYKQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247338;MM247338;CC(=CC(F)C(C)N)CO;SYUHQECAMLRAQC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247339;MM247339;CC(=CC(F)C(C)N)CF;UZIOEKVSJFRYKB-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247340;MM247340;CC(=CC(F)C(C)O)CF;CGCCFKXBZCYNMU-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247341;MM247341;CCC(C)=CC(F)C(C)F;RKQBLGMASRNMLI-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247342;MM247342;CC(=CC(F)C(C)F)CN;ZNXDBADNIKAVEG-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247343;MM247343;CCC(F)=CC(F)C(C)F;LCMHIPSQTAXDEX-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247344;MM247344;CCC(C)=CC(F)C(F)F;MXNCVDBFSZDUSO-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247345;MM247345;CC(=CC(F)C(F)F)CN;LNQQGMRZOLKNLD-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247346;MM247346;COC(C)=CC(C)C(C)C;VQRPGGFDNPXOCH-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247347;MM247347;COC(C)=CC(C)C(C)N;BGUYOEDVGOAUGZ-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247348;MM247348;COC(C)=CC(C)C(C)O;AKEJXSUEAUXXDL-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247349;MM247349;COC(C)=CC(C)C(C)F;FOXWSZVSSKPJTH-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247350;MM247350;COC(C)=CC(C)C(F)F;JOENNEBZJSZCJE-UHFFFAOYSA-N;150.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247351;MM247351;COC(C)=CC(N)C(C)C;NOVDHRPEBJMOLU-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247352;MM247352;COC(C)=CC(N)C(C)N;AMYZXSBCMIBIJA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247353;MM247353;COC(C)=CC(N)C(C)F;WGISIDHCLDRQBP-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247354;MM247354;COC(C)=CC(O)C(C)C;AEOAYYABFMUOQN-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247355;MM247355;COC(C)=CC(F)C(C)C;HUKUXVDNWNKNRA-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247356;MM247356;COC(C)=CC(F)C(C)N;ZUNFUDPEABZHHZ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247357;MM247357;CCC(C)=CC(C)N(C)C;HHNRWQIAUDGPSS-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247358;MM247358;CCC(F)=CC(C)N(C)C;ORVSVKPRCVOSDS-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247359;MM247359;CCC(C)=NN(C)C(C)C;OLZXIAZKUBKYJB-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247360;MM247360;CC1C(O)C1C(C#N)=CN;QRYSINLMFFWRFH-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247361;MM247361;C=CC(C)=CC(C)C(C)C;JFKXZGQAVKXZEW-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247362;MM247362;CC(C=O)=CC(C)C(C)C;WSLKWUYFAASEBJ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247363;MM247363;CC(C#N)=CC(C)C(C)C;UPHIYUBXQBPALC-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247364;MM247364;CC(C)C(C)C=C(F)C=O;XEIMSWKYKNJAHF-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247365;MM247365;CC(C)C(C)C=C(F)C#N;KNJSNQVKVQOBNF-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247366;MM247366;C=CC(C)=CC(C)C(C)N;HMEZQDNMZQAZEZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247367;MM247367;C=CC(F)=CC(C)C(C)N;WRXMMUGOIFZBCQ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247368;MM247368;OCCOCON=CNO;WLKKJNIWGKYAPN-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247369;MM247369;O=CNCC=NOCCO;XCTISWVZVALQSU-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247370;MM247370;C=CC(F)=CC(C)C(C)O;YLSMNBDPKPUOJW-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247371;MM247371;CC(O)C(C)C=C(F)C=O;VCLFCKMXLKNTRH-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247372;MM247372;CC(C=O)=CC(C)C(C)F;DSEHKAKMRCCNIB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247373;MM247373;C=CC(C)=CC(C)C(F)F;KFEXDPIXELOUIC-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247374;MM247374;C=CC(F)=CC(C)C(F)F;ODIPLDGGIRAVET-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247375;MM247375;C=CC(C)=CC(N)C(C)C;XFLUEHGKVMIIEZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247376;MM247376;C=CC(F)=CC(N)C(C)C;YRGUNINIEQTUDJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247377;MM247377;C=CC(C)=CC(N)C(C)O;IVMMEPYQQQYNDN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247378;MM247378;C=CC(C)=CC(N)C(C)F;LGDOBHJBYCTMED-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247379;MM247379;C=CC1C(O)C1CNN=C;QYZRESOCEVPNPJ-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247380;MM247380;CC(C#N)=CC(O)C(C)C;PCDRDNFQILDATH-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247381;MM247381;C=CC(C)=CC(O)C(C)O;YQKBYSFREKBJGF-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247382;MM247382;CC(C=O)=CC(F)C(C)C;GUIVNEPGABAPMY-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247383;MM247383;CC(C#N)=CC(F)C(C)C;MDIQYAKFTYVFTP-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247384;MM247384;C=CC(F)=CC(F)C(C)C;KVXHPNAVRGTMRV-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247385;MM247385;CC(C)C(F)C=C(F)C#N;GLUBJHACJGMYGO-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247386;MM247386;C=CC(C)=CC(F)C(C)N;HHQCJBHIMNZLOY-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247387;MM247387;C=CC(C)=CC(F)C(F)F;HLTLOQMFVJKJCH-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247388;MM247388;CC(C=O)=CC(C)N(C)C;VMFOUUNAMBSBSE-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247389;MM247389;C=CC(F)=CC(C)N(C)C;QQPYCUFOKTVVHC-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247390;MM247390;CC(C=O)=CN(C)C(C)C;VXSXGOBBGAKJES-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247391;MM247391;CC(C#N)=CN(C)C(C)C;XKOKARXBXJRQIX-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247392;MM247392;CC(C)N(C)C=C(F)C=O;XQLFCLPRARGELA-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247393;MM247393;CC(C)N(C)C=C(F)C#N;CTNJNAQWTFCAGU-UHFFFAOYSA-N;142.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247394;MM247394;C=CC(C)=NN(C)C(C)C;OICQPOAZSDEEQT-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247395;MM247395;CC(C#N)=NN(C)C(C)C;LWHQOGIIWFJOOM-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247396;MM247396;C#CC(C)=CC(C)C(C)C;JAPYJNNLSORHEI-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247397;MM247397;C#CC(F)=CC(C)C(C)C;NKKJKWPEFLOWSP-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247398;MM247398;C#CC(C)=CC(C)C(C)N;UPOUEWMPUCLZJS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247399;MM247399;C=C(F)C(=NC)NO;KRMHLWOEMNJKEV-UHFFFAOYSA-N;118.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247400;MM247400;C#CC(C)=CC(N)C(C)C;GTLBSLNVYNPVPP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247401;MM247401;C#CC(F)=CC(N)C(C)C;CNERAZGURYXLIJ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247402;MM247402;C#CC(C)=CC(F)C(C)C;DMSXYZWLHPUJCO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247403;MM247403;C#CC(F)=CC(F)C(C)C;NOYRWFHULDWLEX-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247404;MM247404;C#CC(C)=CC(C)N(C)C;QKUIJDKOFDUSKQ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247405;MM247405;C=C(C)C(C)C=C(C)CC;IDDCMDPUFDLORK-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247406;MM247406;C=C(C)C(C)C=C(C)CN;BEAXVMZFPJOYEX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247407;MM247407;C=C(C)C(C)C=C(C)CF;HUOZKNDIHAEDDS-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247408;MM247408;C=C(C)C(C)C=C(F)CC;PPVOVTMOPJIPHU-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247409;MM247409;CCC(C)=CC(C)C(C)=O;RHXMYRMGTFBMFI-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247410;MM247410;CC(=O)C(C)C=C(C)CO;SLSXNNYEYLPVIW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247411;MM247411;CC(=O)C(C)C=C(C)CF;RSWKPMQOXMDHBP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247412;MM247412;CCC(F)=CC(C)C(C)=O;KMEYAPKDEAIOHD-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247413;MM247413;CC(=O)C(C)C=C(F)CF;UTWUEMVPLQADOU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247414;MM247414;CCC(C)=CC(C)C(=N)N;QSOHNTWINGDMGE-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247415;MM247415;CC(=CC(C)C(=N)N)CN;VVEMQLALNKOZIE-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247416;MM247416;CC(=CC(C)C(=N)N)CF;DZBNOOVZAOVGIP-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247417;MM247417;CCC(F)=CC(C)C(=N)N;KFLZHXNJLYQTKH-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247418;MM247418;CC(C=C(F)CO)C(=N)N;QEIQONSXOBSXEK-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247419;MM247419;CC(C=C(F)CF)C(=N)N;IUUUDQCNIMKPJV-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247420;MM247420;CC=Cc1cc[nH]n1;PMCWUJVAHXMNRL-UHFFFAOYSA-N;108.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247421;MM247421;CC(C=C(F)CO)C(N)=O;ZGBREVOXKHNKOX-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247422;MM247422;CCC(C)=CC(C)C(=O)O;VVZZMFPKQNHIFG-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247423;MM247423;C=C(F)C(C)C=C(C)CO;OFVXCLMCPSRSME-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247424;MM247424;C=C(C)C(N)C=C(C)CC;BRWUFKQZTROTSH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247425;MM247425;C=C(C)C(N)C=C(C)CO;AHCXTYJZHURNCL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247426;MM247426;C=C(C)C(N)C=C(F)CC;MPOAWUAYSLMOIR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247427;MM247427;C=C(C)C(N)C=C(F)CN;MOTYGBIDVQMMMM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247428;MM247428;C=C(C)C(N)C=C(F)CF;DNJJQFMBGOUSOH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247429;MM247429;CC(=CC(N)C(=N)N)CN;IZFIGTPXZOMFID-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247430;MM247430;N=C(N)C(N)C=C(F)CO;KDPWCIXVFZQBAK-UHFFFAOYSA-N;147.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247431;MM247431;CC(=CC(N)C(N)=O)CN;MUIBUSVDZYOBLW-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247432;MM247432;CC1(O)CCC(=NN)C1;CKZWVZCCTJAYIC-UHFFFAOYSA-N;128.18;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247433;MM247433;C=C(C)C(O)C=C(F)CC;MKPRSUAGYDMXBD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247434;MM247434;CC(=CC(O)C(=N)N)CN;GAFZBGQATUIJMG-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247435;MM247435;N=C(N)C(O)C=C(F)CO;FFGVSWVYKHMJAI-UHFFFAOYSA-N;148.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247436;MM247436;N=C(N)C(O)C=C(F)CF;WYIZYWXSIZNTLD-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247437;MM247437;C=NOCCC(C)C(=O)O;WWQMOUAAMKYJOA-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247438;MM247438;C=C(C)C(F)C=C(C)CF;WLQOGNMPTVFIDJ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247439;MM247439;C=C(C)C(F)C=C(F)CC;MYDPWJYGIOJMIZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247440;MM247440;C=C(C)C(F)C=C(F)CO;YRYNOBCQDDMVCQ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247441;MM247441;CC(=O)C(F)C=C(F)CF;ODISJJAPRPGJCD-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247442;MM247442;CC(=CC(F)C(=O)O)CF;WMSQPGNXUAUWKT-UHFFFAOYSA-N;150.12;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247443;MM247443;C=C(F)C(F)C=C(C)CN;KTFQTSJDEDCZSD-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247444;MM247444;C=C(C)C(C)C=C(C)OC;UUEDGTJLOUPIPT-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247445;MM247445;COC(C)=CC(C)C(C)=O;UYRCIXZZWPVLSX-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247446;MM247446;COC(C)=CC(C)C(=N)N;SLDKEDHIVQZARD-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247447;MM247447;N=c1[nH]ncc(=O)o1;WXCNQZADVQHLHR-UHFFFAOYSA-N;113.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247448;MM247448;C=C(C)C(N)C=C(C)OC;VGRIAIAJIADRLB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247449;MM247449;C=C(C)C(O)C=C(C)OC;IPOLQQQTXHXLGY-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247450;MM247450;COC(C)=CC(O)C(N)=O;VDONPZYPAWJHTA-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247451;MM247451;C=C(C)C(F)C=C(C)OC;RUBOVFVRACJSOR-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247452;MM247452;COC(C)=CC(F)C(C)=O;IBTKPIOFAKSCQZ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247453;MM247453;CCC(C)=CN(C)C(C)=N;UZYKMSSKFBZSKG-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247454;MM247454;CC(=N)N(C)C=C(C)CF;FBGVYMLVXNAXKC-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247455;MM247455;CCC(F)=CN(C)C(C)=N;YQEVTECJRDIRCC-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247456;MM247456;CC(=N)N(C)C=C(F)CO;BMMRDZOJFCENDI-UHFFFAOYSA-N;146.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247457;MM247457;CCC(C)=CN(C)C(C)=O;LXKMVOLWPVNHDI-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247458;MM247458;CC(=O)N(C)C=C(C)CO;AFLAGFJCNSITAA-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247459;MM247459;CCC(F)=CN(C)C(C)=O;OPRCFPGYTJHNLE-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247460;MM247460;CC(=CN(C)C(=N)N)CF;INNYVDJTEWGBFX-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247461;MM247461;CN(C=C(F)CO)C(=N)N;ZPWHXGPBFGMNIK-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247462;MM247462;CC(=CN(C)C(N)=O)CN;DOWBCCRCDYRUHA-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247463;MM247463;CCC(F)=CN(C)C(N)=O;PEAUMXHFASAJEV-UHFFFAOYSA-N;146.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247464;MM247464;CCC(C)=CN(N)C(C)=N;FZRUWZXGYCYVRF-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247465;MM247465;CCC(C)=CN(N)C(C)=O;WSJYGFDLJLMRTI-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247466;MM247466;CCC(F)=CN(N)C(C)=O;HSXXPVYFOBKBSB-UHFFFAOYSA-N;146.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247467;MM247467;CC(=O)N(N)C=C(F)CF;KEFHFZJZZFWRJJ-UHFFFAOYSA-N;150.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247468;MM247468;CC(=CN(N)C(=N)N)CO;KAWLERIYJCNMDZ-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247469;MM247469;N=C(N)N(N)C=C(F)CO;YBAOARJTNNEIBT-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247470;MM247470;N=C(N)N(N)C=C(F)CF;IKBNTVWCRFWBHQ-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247471;MM247471;CC(C)=C(F)C(=N)NO;AOYWVCDJYIEICA-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247472;MM247472;C=NNCC(=C)C(C)O;BHCJAVFISZPEKQ-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247473;MM247473;CC(=CC=NN)C(C)O;YIBDREZYEXDPAX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247474;MM247474;Cc1cc(CO)[nH]c1N;NXFNDJXNWZEVBM-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247475;MM247475;CC(=N)N(O)C=C(C)CO;HHPLBGMLZNKMDW-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247476;MM247476;CCC(C)=CN(O)C(C)=O;CNIHVNCFAYKZSD-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247477;MM247477;CC(=O)N(O)C=C(C)CF;HXKNUFHUBQLMCO-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247478;MM247478;CC(=CN(O)C(=N)N)CN;PGQGIGCSSHGLQD-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247479;MM247479;N=C(N)N(O)C=C(F)CO;RCGRNVSXFZHBBW-UHFFFAOYSA-N;149.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247480;MM247480;CC(=CN(O)C(N)=O)CN;QJQZNQVVZOCFNX-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247481;MM247481;CC(=CN(O)C(N)=O)CO;IQLNWLAAKTWMRU-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247482;MM247482;CCC(F)=CN(O)C(N)=O;MQUMFMNSYDHHBE-UHFFFAOYSA-N;148.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247483;MM247483;NC(=O)N(O)C=C(F)CO;PEBDXFXUUUTODY-UHFFFAOYSA-N;150.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247484;MM247484;COC(C)=CN(C)C(C)=O;IUFGCPDADQNFSS-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247485;MM247485;COC(C)=CN(C)C(=N)N;MEMPTPKSQLSPFP-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247486;MM247486;COC(C)=CN(C)C(N)=O;VLWPWOSKQZPPGW-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247487;MM247487;COC(C)=CN(N)C(=N)N;VHMFPPRLWNWOKQ-UHFFFAOYSA-N;144.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247488;MM247488;C=C(CN1CC1)C(C)O;IMBFEVFNWNMEBB-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247489;MM247489;COC(C)=CN(O)C(=N)N;LDWJAEHMUOKTAR-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247490;MM247490;COC(C)=CN(O)C(N)=O;ZSROELVTOWGKLW-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247491;MM247491;CCC(C)=NN(C)C(C)=O;YAUWTHUMSRKKAB-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247492;MM247492;CC(CN)=NN(C)C(=N)N;WEHVIPCYLQJFFB-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247493;MM247493;CC(CO)=NN(C)C(=N)N;VARUJISXCHHCCF-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247494;MM247494;CC(CN)=NN(C)C(N)=O;PGLWRISPYHOGDB-UHFFFAOYSA-N;144.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247495;MM247495;C=NN(C=N)C1CC1O;SKURYQXXLMWBFM-UHFFFAOYSA-N;127.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247496;MM247496;C=CC(C)=CC(C)C(=C)C;HMJJALJEJIOWOO-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247497;MM247497;C=C(C)C(C)C=C(C)C=O;WODLEBQHXNPIAU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247498;MM247498;C=C(C)C(C)C=C(C)C#N;FWGSZCWQNRIRII-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247499;MM247499;C=C(C)C(C)C=C(F)C=O;CXOCLLDNLLLGJH-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247500;MM247500;C=CC(C)=CC(C)C(C)=O;KUUJHZMEUGPKRW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247501;MM247501;CC(=O)C(C)C=C(C)C=O;QDDUXEPPXMNETR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247502;MM247502;CC(=O)C(C)C=C(C)C#N;HDBBUDHXOMSETL-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247503;MM247503;C=CC(F)=CC(C)C(C)=O;ILMJYORRMRETQF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247504;MM247504;CC(=O)C(C)C=C(F)C=O;VJXMPDKXOZLASH-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247505;MM247505;C=CC(C)=CC(C)C(=N)N;OVFBPLZDNCAYOQ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247506;MM247506;CC(C=O)=CC(C)C(=N)N;LZIRPEYKYJQBAK-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247507;MM247507;C=CC(F)=CC(C)C(=N)N;DTOGQOIEVDTUDJ-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247508;MM247508;CC(C=C(F)C#N)C(=N)N;VYIQOINOTJZKQW-UHFFFAOYSA-N;141.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247509;MM247509;C=NN(C=O)C1CC1O;WGNLUZQQLJXHPQ-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247510;MM247510;CC(C#N)=CC(C)C(N)=O;VYCSEJQTFRNWAU-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247511;MM247511;CC(C=C(F)C=O)C(N)=O;YOIKZDAUBJKQKA-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247512;MM247512;C=CC(C)=CC(C)C(=O)O;RYMCUBMXXNNAGC-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247513;MM247513;N=c1ncc(O)nn1O;PMHUJIJHAKENSR-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247514;MM247514;CC(C#N)=CC(C)C(=O)O;MQTKNUMEEMZBEZ-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247515;MM247515;CC(C=C(F)C#N)C(=O)O;OCPTZZFLDSCVHQ-UHFFFAOYSA-N;143.12;1.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247516;MM247516;C=C(F)C(C)C=C(F)C=O;GDNSHCLIFBNNKF-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247517;MM247517;C=CC(F)=CC(N)C(=C)C;VIIIYXSUBOQNFO-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247518;MM247518;N=CN(C=O)N=CCO;QUJQOLYOVYGJTE-UHFFFAOYSA-N;129.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247519;MM247519;C=C(C)C(O)C=C(C)C#N;VMSOKRAGDLIPSP-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247520;MM247520;CC(C=O)=CC(O)C(=N)N;LZTHEIACPKUPJP-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247521;MM247521;CC(C#N)=CC(O)C(=N)N;PDTHUEFXDFJPHL-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247522;MM247522;N#CC(F)=CC(O)C(=N)N;NBNHNDVZTBCTOS-UHFFFAOYSA-N;143.12;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247523;MM247523;C=CC(C)=CC(O)C(N)=O;UCZLBRXHKIUWBX-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247524;MM247524;CC(C=O)=CC(O)C(N)=O;APBNJTFOLNVBEQ-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247525;MM247525;CC(C#N)=CC(O)C(N)=O;WNTOFVHUHFUKRC-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247526;MM247526;N#CC(F)=CC(O)C(N)=O;WBCOICOAXPLADT-UHFFFAOYSA-N;144.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247527;MM247527;C=CC(CC(=O)O)C(C)=O;AQEQHTBGIMCAHB-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247528;MM247528;O=c1o[nH]c(O)c1F;RIPOZAVVLCTKMS-UHFFFAOYSA-N;119.05;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247529;MM247529;CC(C=O)C(C)(C)C(=O)O;MUFMFNYWEMLJCP-UHFFFAOYSA-N;144.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247530;MM247530;C=C(F)C(O)C=C(C)C=O;NBYQCXDOFOHQKL-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247531;MM247531;C=CC(C)=CC(F)C(=C)C;BLPSHRLXCPOSFV-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247532;MM247532;CC(=N)N(C)C=C(C)C=O;IQIINWSOSJDDNN-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247533;MM247533;CC(=N)N(C)C=C(F)C#N;UWGQGDUGJCNRHQ-UHFFFAOYSA-N;141.15;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247534;MM247534;C=CC(C)=CN(C)C(C)=O;GBKFZQWRUQQVLO-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247535;MM247535;CC(=O)N(C)C=C(F)C=O;BKEYSIQGWCIWGZ-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247536;MM247536;CC(=O)N(C)C=C(F)C#N;NFZGMZQSGNNECZ-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247537;MM247537;CC(C=O)=CN(C)C(=N)N;HUIUMKOUVDCJLX-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247538;MM247538;C=CC(C)=CN(C)C(N)=O;QDHSFZLLOZAHLU-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247539;MM247539;CC(C=O)=CN(C)C(N)=O;JVNWBNLQTCHIBK-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247540;MM247540;C=CC(C)=CN(N)C(C)=O;JTLSQNXIZGEPOO-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247541;MM247541;CC(=N)N(O)C=C(C)C=O;PZXNHGUIKJUFHM-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247542;MM247542;C=CC(C)=CN(O)C(C)=O;VPJMMJLCGBXNEM-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247543;MM247543;CC(C=O)=CN(O)C(N)=O;UUGTUBIRZVDELT-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247544;MM247544;CC(C#N)=CN(O)C(N)=O;CLOXHTCBVNDHDK-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247545;MM247545;CC(=O)N(C)N=C(C)C#N;NADHPMONWOSMRO-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247546;MM247546;C=CC(C)=NN(C)C(=N)N;IDASFWARLVAPEK-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247547;MM247547;CC(C=O)=NN(C)C(N)=O;YUNMJMBCSOFRIG-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247548;MM247548;C#CC(F)=CC(C)C(C)=O;JJCZERWDQIFJDA-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247549;MM247549;C#CC(C)=CC(C)C(N)=O;BZNNWCULIWDZGI-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247550;MM247550;C#CC(C)=CC(C)C(=O)O;AQKWPEGYRYVMOX-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247551;MM247551;C#CC(C)=CC(N)C(=C)C;UHNBZOCHUANIBW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247552;MM247552;C#CC(F)=CC(N)C(=N)N;HNLHOZMQFDLVDC-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247553;MM247553;CNc1ccc(CO)[nH]1;VZYJZFXSWHFKQV-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247554;MM247554;C#CC(C)=CC(O)C(=N)N;QIIHEHHFJAXETN-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247555;MM247555;C#CC(F)=CC(O)C(N)=O;CWROXUXITLMRGI-UHFFFAOYSA-N;143.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247556;MM247556;C#CC(F)=CC(F)C(=C)C;TWOUAUNFYAQJCM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247557;MM247557;C#CC(C)=CC(F)C(C)=O;RGULLXWAGKGQAP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247558;MM247558;C#CC(C)=CC(F)C(N)=O;JLJCPYMYMDOHNS-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247559;MM247559;C#CC(F)=CC(F)C(N)=O;PETDOZDPSTZCHO-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247560;MM247560;C#CC(C)=CN(C)C(C)=N;JCPRVPFKTPQEIQ-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247561;MM247561;C#CC(F)=CN(C)C(C)=N;AHTCETIBYCSPJF-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247562;MM247562;C#CC(C)=CN(C)C(C)=O;VWIPOZUKYKTTBD-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247563;MM247563;C#CC(C)=CN(N)C(=N)N;XCXGZTPENAETSX-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247564;MM247564;C#CC(F)=CN(N)C(=N)N;GRDCVKRCXZWTSP-UHFFFAOYSA-N;142.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247565;MM247565;CN(C)C(CO)C(C)(F)F;SRCAOWFECHUBGL-UHFFFAOYSA-N;153.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247566;MM247566;CC(=CC(C)=NN)C(C)O;PEPAJDIWWBUERW-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247567;MM247567;C#CC(C)=CN(O)C(=N)N;XGEPMCFGONUNBX-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247568;MM247568;C#CC(C)=CN(O)C(N)=O;MWPGQIRXGUQSCQ-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247569;MM247569;C#CC(C)=NN(C)C(=N)N;QRYWIYGMDFBLCB-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247570;MM247570;CC(F)C=C(F)C(=N)NO;LURGMJANEQBYIO-UHFFFAOYSA-N;150.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247571;MM247571;C=C(C=C(C)CC)C(C)C;XZFGOANKWGCFCL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247572;MM247572;C=C(C=C(C)CN)C(C)C;UFCANQVXCPXRFS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247573;MM247573;C=C(C=C(C)CO)C(C)C;SFCCWJACDPHPRT-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247574;MM247574;C=C(C=C(C)CF)C(C)C;VWLAWGXJTTWJSL-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247575;MM247575;C=C(C=C(F)CC)C(C)C;NFUSAYAITPKYSU-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247576;MM247576;C=C(C=C(C)CC)C(C)N;GUOBYBRNLASAOC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247577;MM247577;C=C(C=C(F)CC)C(C)N;RRTGHQFLMBHTGL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247578;MM247578;C=C(C=C(F)CN)C(C)N;AOCPPPNPNJYTDC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247579;MM247579;C=C(C=C(F)CO)C(C)N;JOBZCKSLPWASRT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247580;MM247580;C=C(C=C(F)CF)C(C)N;JSOXQFQFUDKZOP-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247581;MM247581;CON=C(C=C(C)F)NO;IHUFZXIWWRKDJA-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247582;MM247582;C=C(C=C(F)CO)C(C)O;CSIVQWIKGBOEGY-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247583;MM247583;C=C(C=C(C)CC)C(C)F;XYDGERRDGCXZEH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247584;MM247584;C=C(C=C(C)CN)C(C)F;KVHJSSUHFGTYOA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247585;MM247585;C=C(C=C(C)CN)C(F)F;GVYTUANOFRBTLR-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247586;MM247586;CCC(C)=CC(=O)C(C)C;PCNOEOHQHPFIIJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247587;MM247587;CC(=CC(=O)C(C)C)CO;WEQGHPKAVGEDSD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247588;MM247588;CC(=CC(=O)C(C)C)CF;DMHTYJJHJLDJHJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247589;MM247589;CCC(N)=CC(=O)C(C)C;OGAUQFAGPWHARA-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247590;MM247590;CC(C)C(=O)C=C(N)CF;AMZDXNKPXHFSDS-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247591;MM247591;CCC(F)=CC(=O)C(C)C;SLERNJIRUAPKFV-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247592;MM247592;CC(C)C(=O)C=C(F)CO;PFUKFOHIYQEQNU-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247593;MM247593;CCC(F)=CC(=O)C(C)O;XPILJZSRAXPTHE-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247594;MM247594;CC(=CC(=O)C(C)F)CF;XIKCTRIYXLAZNX-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247595;MM247595;CCC(F)=CC(=O)C(C)F;YWYJKNHYHGORMW-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247596;MM247596;CNC(C)=CC(=O)C(C)C;YXFKFVHTXSHJJQ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247597;MM247597;CNC(C)=CC(=O)C(C)O;PLGDJKPHBHSYML-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247598;MM247598;CNC(N)=CC(=O)C(C)O;IFHJWAINVGQZGQ-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247599;MM247599;C=C(C=C(C)OC)C(C)N;DTTJHKBVYPJRBM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247600;MM247600;COC(C)=CC(=O)C(C)C;DLKKBZKSYCNDSE-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247601;MM247601;COC(N)=CC(=O)C(C)C;VWGJIRNUQLUJIS-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247602;MM247602;COC(C)=CC(=O)C(C)F;DQNRHWNUFOIXJZ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247603;MM247603;CCC(C)=CC(=N)N(C)C;HERZYSJOZMSNAE-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247604;MM247604;CC(=CC(=N)N(C)C)CO;CAETWPBYGAJCGF-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247605;MM247605;CN(C)C(=N)C=C(N)CO;AMCNACDTIFGJPE-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247606;MM247606;CN(C)C(=N)C=C(N)CF;CLPQIBCKGMFHOC-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247607;MM247607;CCC(F)=CC(=N)N(C)C;GPJMDVICDVRUAJ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247608;MM247608;CN(C)C(=N)C=C(F)CO;CVFAOXXYFQFYGS-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247609;MM247609;CCC(C)=CC(=N)N(C)N;MKDJKCACUZBCHX-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247610;MM247610;CCC(N)=CC(=N)N(C)N;AJKVDTMTEQDRCY-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247611;MM247611;CCC(F)=CC(=N)N(C)N;XUFBZEKUHNOJRQ-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247612;MM247612;CN(N)C(=N)C=C(F)CO;DMSKHOKKGMCNMG-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247613;MM247613;CN(N)C(=N)C=C(F)CF;NCAOASWKYACPQL-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247614;MM247614;CCC(N)=CC(=N)N(C)O;PLYWFKWGNJQOTN-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247615;MM247615;CN(O)C(=N)C=C(N)CO;CCUGBRZEDKTIFE-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247616;MM247616;CN(C)C(=O)C=C(N)CO;IBIJBAHGLMZHJA-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247617;MM247617;NC(=O)CCNN=CCO;QHUJYAOJBXKIKB-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247618;MM247618;CCC(C)=CC(=O)N(C)N;BJWOYFAJKSUBHW-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247619;MM247619;CCC(F)=CC(=O)N(C)N;KXJDHXXHTWCOOF-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247620;MM247620;CCC(C)=CC(=O)N(C)O;BBYGZOPHJCIHJN-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247621;MM247621;CC(=CC(=O)N(C)O)CN;QHIOMRHDFQHCSD-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247622;MM247622;CCC(N)=CC(=O)N(C)O;KFSMZPRKUZUWHY-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247623;MM247623;CN(O)C(=O)C=C(N)CF;MTZUMYDZPYRLFI-UHFFFAOYSA-N;148.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247624;MM247624;CNC(N)=CC(=N)N(C)N;YRCHELFBROBOLA-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247625;MM247625;CNC(N)=CC(=N)N(C)O;YNLKKXDRJBBDSU-UHFFFAOYSA-N;144.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247626;MM247626;CNC(N)=CC(=O)N(C)O;QBRJEPVHRSWFDQ-UHFFFAOYSA-N;145.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247627;MM247627;COC(C)=CC(=N)N(C)C;SWIDNYCYJUCZNC-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247628;MM247628;COC(N)=CC(=N)N(C)C;LPXDJYSVSLGXBZ-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247629;MM247629;COC(N)=CC(=N)N(C)N;CAWGFEDMMKAWNZ-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247630;MM247630;COC(C)=CC(=O)N(C)C;TWAMJSUZNRCMTG-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247631;MM247631;COC(N)=CC(=O)N(C)N;UPORCXZUQKBJAW-UHFFFAOYSA-N;145.16;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247632;MM247632;C=CC(C)=CC(=C)C(C)C;KMTQJRAXGVOYBP-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247633;MM247633;C=C(C=C(C)C=O)C(C)C;KAACWSXIJNGMFN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247634;MM247634;C=C(C=C(C)C#N)C(C)C;CZVIEOPNFUJTBN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247635;MM247635;C=CC(F)=CC(=C)C(C)N;ONNNTVGGKWRYTI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247636;MM247636;CC(O)CC=NOCCO;IUNIKDSEOYJAIC-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247637;MM247637;C=CCN(O)C=NCC=O;OVFYRPNQWLUAPJ-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247638;MM247638;C=CC(C)=CC(=O)C(C)C;VSJKOPVRNKXFQI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247639;MM247639;CC(C=O)=CC(=O)C(C)C;KRLXEDZJTXSSKE-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247640;MM247640;CC(C#N)=CC(=O)C(C)C;RFZBZUJLLWCYQD-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247641;MM247641;C=CC(N)=CC(=O)C(C)C;XIZBZWMFMZIXMC-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247642;MM247642;C=CC(F)=CC(=O)C(C)C;DGOVOJQSXWXUHH-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247643;MM247643;CC(C#N)=CC(=O)C(C)O;BWOOJZUABZFGIH-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247644;MM247644;C=CC(N)=CC(=O)C(C)O;ZIDJGQVPRIANPR-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247645;MM247645;CC(O)C(=O)C=C(N)C=O;UQSWCNGCDVMQEX-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247646;MM247646;CC(O)C(=O)C=C(N)C#N;POPPXIGITPNGHD-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247647;MM247647;CC(O)C(=O)C=C(F)C#N;PFHRZDSNBZYQNS-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247648;MM247648;C=CC(C)=CC(=O)C(C)F;PJBSSEZECNMSKC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247649;MM247649;C=CC(F)=CC(=O)C(C)F;RSAHMYGQWVCFPW-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247650;MM247650;C=CC(N)=CC(=O)C(F)F;HZTPUIOJKFZWNC-UHFFFAOYSA-N;147.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247651;MM247651;NC(C=O)=CC(=O)C(F)F;PODXHNJAYLMRIO-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247652;MM247652;C=CC(C)=CC(=N)N(C)C;SURCZPJRWQCITF-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247653;MM247653;CC(C=O)=CC(=N)N(C)C;SAGWUGXSCKWYEL-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247654;MM247654;C=CC(N)=CC(=N)N(C)C;HTDCVRQXZNITKF-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247655;MM247655;CN(C)C(=N)C=C(N)C=O;GRFHVLKWEBLBRX-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247656;MM247656;CN(C)C(=N)C=C(F)C#N;WWJRKNORCLGGJQ-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247657;MM247657;CC(C=O)=CC(=O)N(C)C;DPVRWTUOELTNKV-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247658;MM247658;N=C(N)C(=O)C(=CN)CO;LUVNXLYRUPYYMR-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247659;MM247659;C=C(CNCC#N)C(C)O;WWTYHDCKKNWVKW-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247660;MM247660;CN(C)C(=O)C=C(F)C#N;WPBSJCPOFNNGIV-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247661;MM247661;C=CC(C)=CC(=O)N(C)O;WGEIGIXLHCVDFW-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247662;MM247662;CN(O)C(=O)C=C(N)C=O;PXTSCDVKGYVNCF-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247663;MM247663;C#CC(C)=CC(=C)C(C)C;ADCMAXHQEHCRTL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247664;MM247664;C#CC(C)=CC(=C)C(C)N;YPLXBFOVJZABDC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247665;MM247665;C#CC(C)=CC(=O)C(C)C;UBUMKGBZJGMRBE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247666;MM247666;C#CC(N)=CC(=O)C(C)C;ZREAQDAMSAMLQD-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247667;MM247667;C#CC(F)=CC(=O)C(C)C;MRHJJXFPVVCGNK-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247668;MM247668;C#CC(C)=CC(=O)C(C)O;KIEPSNAZYILMDG-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247669;MM247669;C#CC(F)=CC(=O)C(C)O;HJNQHCFLISACKE-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247670;MM247670;C#CC(C)=CC(=N)N(C)C;WEFMFVHRXKOSDJ-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247671;MM247671;C#CC(N)=CC(=N)N(C)C;GDWIDUXMCAZKGU-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247672;MM247672;C#CC(F)=CC(=N)N(C)C;GNNLXWLNFHYIRH-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247673;MM247673;C#CC(F)=CC(=O)N(C)C;ZFNOBXZNCIXBLM-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247674;MM247674;C#CC(C)=CC(=O)N(C)O;FXUGRHOSOIXJFU-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247675;MM247675;C=C(C)C(=C)C=C(C)CC;UQSJNTYPQYHSHS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247676;MM247676;C=C(C)C(=C)C=C(C)CN;LIZWNXDMFGENJB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247677;MM247677;C=C(C)C(=C)C=C(C)CO;JJGDMLZJLAKDNE-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247678;MM247678;C=C(C)C(=C)C=C(C)CF;LOLVUELRXAWJAN-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247679;MM247679;C=C(C)C(=C)C=C(F)CC;FKCPWJDEDGTPMB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247680;MM247680;C=C(C=C(C)CC)C(C)=O;OELFMRLLMVOTRB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247681;MM247681;C=C(C=C(C)CF)C(C)=O;WOGVCVSOWLUGMR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247682;MM247682;C=C(C=C(F)CC)C(C)=O;OMYTZMDNPRJHKT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247683;MM247683;C=C(C=C(F)CF)C(C)=O;WMHUPVQQORVDEN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247684;MM247684;C=C(C=C(C)CC)C(=N)N;NZDCHHYVWWFLQO-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247685;MM247685;C=C(C=C(C)CO)C(=N)N;SJULKLWLIGSNFV-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247686;MM247686;C=C(C=C(C)CF)C(=N)N;SPUFNBSZSRKKQN-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247687;MM247687;C=C(C=C(F)CC)C(=N)N;CHGQDZIUIBORMF-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247688;MM247688;C=C(C=C(C)CN)C(N)=O;NJVXSIZLGHGNSC-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247689;MM247689;CON=CNC(C)C(C)O;NJTHOVPKUQJYPV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247690;MM247690;C=C(C)C(=O)C=C(C)CC;HZXRPGSYSQBWFM-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247691;MM247691;C=C(C)C(=O)C=C(C)CF;SODDVHJFUVBASX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247692;MM247692;C=C(C)C(=O)C=C(N)CC;ADTNHJXWWMYELM-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247693;MM247693;C=C(C)C(=O)C=C(F)CC;ICWLNQHMGUZSIC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247694;MM247694;C=C(C)C(=O)C=C(F)CF;DGSUHQAJGMSLIA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247695;MM247695;CCC(C)=CC(=O)C(C)=O;QYDKPGQQYFTKCR-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247696;MM247696;NC(=O)N(N)C=NCCO;IOKOKKBBGUXKBT-UHFFFAOYSA-N;146.15;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247697;MM247697;NC(=O)C(=O)C=C(N)CO;GPXOYBLVEMFOCB-UHFFFAOYSA-N;144.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247698;MM247698;NC(=O)C(=O)C=C(N)CF;WJHRTIKTVCNXNY-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247699;MM247699;CCC(C)(CC=O)C(=O)O;BPSIDJUYJWCSNU-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247700;MM247700;COCC(F)CCC(=O)O;GJDSHQQGJMZPIZ-UHFFFAOYSA-N;150.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247701;MM247701;C=C(F)C(=O)C=C(C)CF;HNIUZGXXYUWVEP-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247702;MM247702;C=C(C)C(=O)C=C(C)NC;DRBMGLMQPTWRPA-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247703;MM247703;CNC(N)=CC(=O)C(C)=O;BQYHPIYBFZYGHB-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247704;MM247704;CNC(N)=CC(=O)C(=N)N;TYBFIOYWBGVVIA-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247705;MM247705;N#CCCONC(=O)CO;FLDFWEGRXKUBIB-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247706;MM247706;C=C(C)C(=C)C=C(C)OC;KZBLWGKYUSPOBH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247707;MM247707;C=C(C=C(C)OC)C(C)=O;NGOBCRFTKBWHLD-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247708;MM247708;C=C(C)C(=O)C=C(C)OC;NVCLXRCAWFARHO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247709;MM247709;COC(N)=CC(=O)C(C)=O;HKNDQLLWHKSNSV-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247710;MM247710;COC(C)=CC(=O)C(=N)N;JQRGAZDGXPOTJL-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247711;MM247711;COC(N)=CC(=O)C(=N)N;XGKMGCNEXBEKJM-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247712;MM247712;COC(C)=CC(=O)C(N)=O;MQVKRVSFQCEIHU-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247713;MM247713;COC(N)=CC(=O)C(N)=O;KUVUHUIAKMUDJM-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247714;MM247714;C=CC(O)C(C=C)C(=O)O;SYIAYZZLICHPJX-UHFFFAOYSA-N;142.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247715;MM247715;C=CC(O)C=C(C)C(=O)O;TUYIVWCQZDNWCS-UHFFFAOYSA-N;142.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247716;MM247716;C=CC(F)=CC(=C)C(=C)C;JVZLYZNZHJBFDL-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247717;MM247717;C=C(C=C(C)C=O)C(C)=O;AKIRSVPTAQQJBY-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247718;MM247718;C=C(C=C(C)C#N)C(C)=O;SEEJWNSRKMHWON-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247719;MM247719;C=CC(F)=CC(=C)C(C)=O;FXMRRLVGEIMGNC-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247720;MM247720;C=C(C=C(F)C=O)C(C)=O;GCKSJYBWSSIVIV-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247721;MM247721;C=CC(C)=CC(=C)C(=N)N;AQBQQFFCJNGUQW-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247722;MM247722;C=CC(F)=CC(=C)C(=N)N;ADCLADCZNFTODN-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247723;MM247723;CN(C=O)NC(C=O)CO;XULSMBBUGQTLEE-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247724;MM247724;C=C(C=C(F)C#N)C(N)=O;HJMSFDMBZFSOCE-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247725;MM247725;C=C(F)C(=C)C=C(C)C#N;WZCGZRHPUMUTCW-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247726;MM247726;C=C(C)C(=O)C=C(C)C=O;AKDNAPRDSFBITN-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247727;MM247727;C=C(C)C(=O)C=C(C)C#N;XATCQPVGPXDPFS-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247728;MM247728;C=CC(N)=CC(=O)C(=C)C;HQKLBFZDHFFVDY-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247729;MM247729;C=CC(F)=CC(=O)C(=C)C;FDBIUVWLRMBVCR-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247730;MM247730;C=C(C)C(=O)C=C(F)C=O;MVIBVFBGKFDNGA-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247731;MM247731;CC(=O)C(=O)C=C(C)C#N;WIHQIHVAISWUJM-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247732;MM247732;C=CC(F)=CC(=O)C(C)=O;FCVLVCBOXYSJGT-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247733;MM247733;CC(=O)C(=O)C=C(F)C#N;IEZCLCFBYIHEDG-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247734;MM247734;C=CC(N)=CC(=O)C(N)=O;LGTYHOXBGBMYBQ-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247735;MM247735;C=CC(F)=CC(=O)C(N)=O;FGKBGMPIVBQLAQ-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247736;MM247736;N#CC(F)=CC(=O)C(=O)O;FRGANUGSWXELAJ-UHFFFAOYSA-N;143.07;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247737;MM247737;C#CC(F)=CC(=C)C(=C)C;SISOHDAFHTYTLM-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247738;MM247738;C#CC(C)=CC(=C)C(C)=O;MRTAPPSKFCVMQE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247739;MM247739;C#CC(F)=CC(=C)C(C)=O;DQRCAQPWMAGLDG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247740;MM247740;C#CC(C)=CC(=C)C(=N)N;STHWHEJYJJZYNY-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247741;MM247741;C#CC(F)=CC(=C)C(=N)N;DQISRGQDVYSGOD-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247742;MM247742;CN=C(C=O)N=C(C)NO;FKDMUISPTKUVLU-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247743;MM247743;C#CC(C)=CC(=O)C(=C)C;VXAREMZAKFIUFQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247744;MM247744;C#CC(N)=CC(=O)C(=C)C;ARJFHKZPBRIKKK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247745;MM247745;C#CC(F)=CC(=O)C(=C)C;MZPQIMXAZSYHFO-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247746;MM247746;C#CC(N)=CC(=O)C(C)=O;UKQIJGLVGHMXQZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247747;MM247747;C#CC(N)=CC(=O)C(=N)N;JMMTZAIVHHLLMS-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247748;MM247748;C#CC(F)=CC(=O)C(=N)N;UVNQADNVOPVJBE-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247749;MM247749;C#CC(N)=CC(=O)C(N)=O;GPPZQMZIIMPHKZ-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247750;MM247750;CC(CCC(=O)O)C(N)=O;XWBFWUVUWQLRKB-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247751;MM247751;CCC(C)C=C(C)C(C)C;JGXCHWSKHWDAGJ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247752;MM247752;CC(=CC(C)CN)C(C)C;LFEPCZJLZOWHHG-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247753;MM247753;N#CC(=CN)OCC(N)=O;VZYSVQIOTBEBKB-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247754;MM247754;CC(=CC(C)CF)C(C)C;KCPCVSFYLBBZKF-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247755;MM247755;CCC(N)C=C(C)C(C)C;KRGFAQXLQARPAM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247756;MM247756;CC(=CC(N)CO)C(C)C;OBBRAQRYWDAUMU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247757;MM247757;CC(=CC(N)CF)C(C)C;ZVXPMPOHHZMCKL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247758;MM247758;CCC(N)=C(F)C(=N)NO;AIRWNHMSFKMYCD-UHFFFAOYSA-N;147.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247759;MM247759;CC(=CC(O)CN)C(C)C;YDPNBBNUYWLGSF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247760;MM247760;CC(=CC(O)CO)C(C)C;GJPKDXGXMSGXBB-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247761;MM247761;CC(=CC(O)CF)C(C)C;XDJRTCQYNQBJOG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247762;MM247762;CC(=CC(F)CN)C(C)C;SUGSYIWQSYBLLN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247763;MM247763;CC(=CC(F)CO)C(C)C;FFTBGEHHFGTHHV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247764;MM247764;CC(=CC(F)CF)C(C)C;KIFOFIOPNSBJPY-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247765;MM247765;CCC(C)C=C(C)C(C)N;HACCYHDWYDAISR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247766;MM247766;CC(=CC(C)CO)C(C)N;FGPMWEDAQFMNDQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247767;MM247767;CC(=CC(C)CF)C(C)N;KHIXUXSLSGAXMC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247768;MM247768;CCC(N)C=C(C)C(C)N;MOFXDOQJVIBQMJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247769;MM247769;CC(=CC(N)CN)C(C)N;CTQBSLNQWQILGR-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247770;MM247770;CC(=CC(N)CO)C(C)N;OHEFNRVJHHQLGD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247771;MM247771;CCC(O)C=C(C)C(C)N;MGXAKFTUPOGPAY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247772;MM247772;CC(=CC(O)CN)C(C)N;SJWYBWXINWUYIK-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247773;MM247773;CC(=CC(O)CF)C(C)N;BZFGRGLQMIBVNW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247774;MM247774;CCC(F)C=C(C)C(C)N;OQUNEAIHZRXFCU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247775;MM247775;CC(=CC(F)CN)C(C)N;DAQBKPMPRCHZIS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247776;MM247776;CC(=CC(F)CF)C(C)N;WXRRUHFBVWZRCS-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247777;MM247777;CC(=CC(C)CN)C(C)O;VDNOSGAEOMHKLM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247778;MM247778;N=C(NO)C(F)=C(N)CF;GDROWTWHCPDFIZ-UHFFFAOYSA-N;151.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247779;MM247779;C#CC(C)=C(F)C(=N)NO;BZNWPZLOHFQLHY-UHFFFAOYSA-N;142.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247780;MM247780;CC(=CC(N)CN)C(C)O;BDTUOHMRNRCRFN-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247781;MM247781;CC(=CC(N)CO)C(C)O;KGWHGWJFNZIIAY-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247782;MM247782;CCC(O)C=C(C)C(C)O;CYAKUBUMZTZSNB-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247783;MM247783;CC(=CC(O)CN)C(C)O;WUTNUPAYSDLDMM-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247784;MM247784;CC(=CC(O)CO)C(C)O;JNLKXCDUNVENRH-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247785;MM247785;CC(=CC(O)CF)C(C)O;HRSDWCLZQFBPDW-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247786;MM247786;CC(=CC(F)CO)C(C)O;NAAZIWGINCWXHL-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247787;MM247787;CC(=CC(F)CF)C(C)O;LUMWBADRBUWYOV-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247788;MM247788;CC(=CC(C)CN)C(C)F;GVTAWWDIEFSSOZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247789;MM247789;CCN=CN(N)C(=O)CF;UJTZSUDKXTVDDV-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247790;MM247790;CCC(N)C=C(C)C(C)F;HJMCECDNQNEDRE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247791;MM247791;CC(=CC(N)CN)C(C)F;XAVKNZOOLPVMBV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247792;MM247792;CC(=CC(N)CF)C(C)F;OQYRPOYHLBHAJZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247793;MM247793;CCC(O)C=C(C)C(C)F;JOMHTXRXJVOMNN-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247794;MM247794;CC(=CC(O)CF)C(C)F;PTADUFTZZDYHOA-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247795;MM247795;CC(=CC(F)CF)C(C)F;COGWPRQVKKIEFS-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247796;MM247796;CCC(N)C=C(C)C(F)F;UVGPSMVRMDNJLZ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247797;MM247797;CC(=CC(N)CN)C(F)F;OPSHCQTYUUFMET-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247798;MM247798;CC(=CC(N)CF)C(F)F;OHTHKCUIVVAEHF-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247799;MM247799;CCC(O)C=C(C)C(F)F;QCXNYEUOMGYJSM-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247800;MM247800;CC(=CC(O)CN)C(F)F;ZERLSPRHKPPSER-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247801;MM247801;CC(=CC(O)CF)C(F)F;UHYSYQPQMBGRLX-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247802;MM247802;CC(=CC(F)CN)C(F)F;GGQCTZGZOCBMKO-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247803;MM247803;CC(C=C(F)C(C)C)CN;VFBZWWDEEWITSV-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247804;MM247804;CC(C=C(F)C(C)C)CF;HCTMDWCKGOEBLB-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247805;MM247805;CCC(N)C=C(F)C(C)C;LVBNAWSDXCCQIT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247806;MM247806;CC(C)C(F)=CC(N)CF;JBQNLULXITZZDE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247807;MM247807;CCC(O)C=C(F)C(C)C;VDSWNLNVKNBGPF-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247808;MM247808;CC(C)C(F)=CC(O)CF;YVWXXKBPLCQXAF-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247809;MM247809;CC(C)C(F)=CC(F)CN;CEWOKZFTQMWDCA-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247810;MM247810;CC(C)C(F)=CC(F)CF;VECVZRSIRRXFRT-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247811;MM247811;CC(N)C(F)=CC(F)CN;CMFVYHQVQHJACZ-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247812;MM247812;CC(O)C(F)=CC(F)CN;XLBPUNXLOXPBNX-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247813;MM247813;CC(F)C(F)=CC(N)CN;MYOVWRKKLBTYOZ-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247814;MM247814;CC(F)C(F)=CC(N)CO;DQSSPIJXKDXFSF-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247815;MM247815;CC(F)C(F)=CC(O)CN;UJTSNEMYFIWFMT-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247816;MM247816;CNC(C)C=C(C)C(C)C;SXDMNYGYNXOLNS-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247817;MM247817;CNC(C)C=C(C)C(F)F;QDRAIEAGSIRPIW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247818;MM247818;CNC(C)C=C(F)C(C)C;ZUOTVOHCBVHRQC-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247819;MM247819;CNC(C)C=C(F)C(C)F;YBQRYSCFHQANBS-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247820;MM247820;COC(C)C=C(C)C(C)C;UJLWYTIYFYBBCD-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247821;MM247821;COC(C)C=C(C)C(C)N;DEENBZZMAWAPRH-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247822;MM247822;CCN(C)N=C(C)C(C)C;CXVCLOBLOOIRJM-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247823;MM247823;CCN(C)N=C(C)C(C)N;SITPCYYDVKVGPJ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247824;MM247824;CCC(C)N=C(C)N(C)C;YQHAGJFUHWQJBF-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247825;MM247825;CC(=NC(C)CN)N(C)C;RDSFAJMCYCBMMF-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247826;MM247826;CC(=NC(C)CO)N(C)C;XWMCGVJWRYUKHH-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247827;MM247827;CCC(C)N=C(C)N(C)N;QZYHFLWPJWUNDD-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247828;MM247828;CC(=NC(C)CO)N(C)N;MOFGTVZRLBESGG-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247829;MM247829;CC(=NC(C)CN)N(C)O;MQYDOAKBGDORIP-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247830;MM247830;CCN(C)N=C(C)N(C)C;UCSXTCLUSPBCLO-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247831;MM247831;C=CC(C)C=C(C)C(C)C;NBLPZFJCGCZCGX-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247832;MM247832;CC(=CC(C)C=O)C(C)C;CQVLGAJFGIZWRL-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247833;MM247833;CC(=CC(C)C#N)C(C)C;YRINNOSGBGFHLF-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247834;MM247834;C=CC(N)C=C(C)C(C)C;CXWJKXBOSAUWDY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247835;MM247835;CCON=C(C)C(F)C#N;XGKAYRBVHLUDHT-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247836;MM247836;CC(=CC(O)C#N)C(C)C;WUVBIUOLMSMFIN-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247837;MM247837;CC(=CC(F)C#N)C(C)C;LXEMDPYFWZINCZ-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247838;MM247838;C=CC(C)C=C(C)C(C)N;YVIAYGHIVHPJOE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247839;MM247839;CCNC=C(F)C(=N)NO;ZKFWOGCAMGZFOS-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247840;MM247840;N=C(NO)C(F)=CC=NN;CBIRENLUCCEDFS-UHFFFAOYSA-N;146.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247841;MM247841;C=CC(N)C=C(C)C(C)O;MVETWEDQUJUNCP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247842;MM247842;C=CC(O)C=C(C)C(C)O;GUDXLDRURZVINK-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247843;MM247843;CC(=CC(O)C=O)C(C)O;IBDLCDMVVNYZOZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247844;MM247844;CC(=CC(O)C#N)C(C)O;RSWLMGWHQBZOCJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247845;MM247845;C=CC(F)C=C(C)C(C)O;LSBASSAOMQMIRZ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247846;MM247846;CC(=CC(F)C#N)C(C)O;YYVODUCMNFBDAM-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247847;MM247847;CC(=CC(C)C=O)C(C)F;JLNIMLWMUBNRRT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247848;MM247848;C=CC(N)C=C(C)C(C)F;NFVMMYGYYIDGLH-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247849;MM247849;C=CC(O)C=C(C)C(C)F;QCEXIRJIHFUOQM-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247850;MM247850;CC(=CC(O)C#N)C(C)F;QWRMHIKJRYLRRF-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247851;MM247851;CC(=CC(F)C=O)C(C)F;UREJUTKBVXGJCB-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247852;MM247852;C=CC(N)C=C(C)C(F)F;JYHLCZMPMAQGIX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247853;MM247853;C=CC(O)C=C(C)C(F)F;GAXXJNQRVJEOEN-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247854;MM247854;CC(=CC(F)C=O)C(F)F;OQEKGJHYZQITPE-UHFFFAOYSA-N;152.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247855;MM247855;CC(=CC(F)C#N)C(F)F;XRGZVIGNPURGLF-UHFFFAOYSA-N;149.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247856;MM247856;CC(C=O)C=C(F)C(C)C;ZJKXUTUWYNUKBZ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247857;MM247857;CC(C)C(F)=CC(O)C#N;TXDIISVUSGZERA-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247858;MM247858;CC(C)C(F)=CC(F)C#N;BHZXOZYRBXGBRP-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247859;MM247859;CC(C#N)C=C(F)C(C)O;FOZCYUKLCQCTLR-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247860;MM247860;CC(=CN(C)C=N)C(C)C;QHXRSBSAJROBJC-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247861;MM247861;CC(=CN(C)C=O)C(C)C;LEOBLGUUSJICKI-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247862;MM247862;CC(=CN(N)C=N)C(C)C;GGUJHSDEUISRTR-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247863;MM247863;CC(=CN(N)C=O)C(C)C;NXMOGAYTHUDIHI-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247864;MM247864;CC(=CN(O)C=N)C(C)C;HRNDGHXWFRLXOM-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247865;MM247865;CC(=CN(O)C=O)C(C)C;DIZJWIQLPRLBGQ-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247866;MM247866;CC(=CN(C)C=O)C(C)N;SRHKZVQPIRGAFH-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247867;MM247867;CC(=CN(N)C=N)C(C)O;OPFJXVJVVHKRPC-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247868;MM247868;CC#CC=C(F)C(=N)NO;PEJVTNXSMJZZDF-UHFFFAOYSA-N;142.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247869;MM247869;CC(=CN(O)C=O)C(C)O;PULNHLQQXONFAK-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247870;MM247870;CC(=CN(C)C=N)C(C)F;CBYMTRAKIXBSLZ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247871;MM247871;CC(=CN(N)C=N)C(C)F;GPEVLYFEIXAAGY-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247872;MM247872;CC(=CN(O)C=O)C(C)F;RALGSIJWJQJCMZ-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247873;MM247873;CC(=CN(C)C=O)C(F)F;LVKKBKAGEDTDMU-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247874;MM247874;CC(C)C(F)=CN(C)C=N;ZBHWVFDOZNLJRJ-UHFFFAOYSA-N;144.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247875;MM247875;CC(C)C(F)=CN(C)C=O;DUJGQLRDPXYOPZ-UHFFFAOYSA-N;145.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247876;MM247876;CC(=NN(C)C=O)C(C)C;BKHJOGGRSPPSNL-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247877;MM247877;CC=NN=CN=C(C)NO;BPELRGWHFSGVQC-UHFFFAOYSA-N;142.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247878;MM247878;CC(=NC(C)C=O)N(C)C;DCQGGSQZDNHQOI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247879;MM247879;CC(=NC(C)C#N)N(C)C;WFJIZXDROXENQT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247880;MM247880;C=CC(C)N=C(C)N(C)N;MDAOYNLULRHVIL-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247881;MM247881;C#CC(C)C=C(C)C(C)C;XWJUYGKYJPVKLQ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247882;MM247882;C#CC(N)C=C(C)C(C)C;DFBIKXWPKHHRJN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247883;MM247883;C#CC(O)C=C(C)C(C)C;XNMOJMHXMVEIME-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247884;MM247884;C#CC(F)C=C(C)C(C)C;AZCLDGVAPJRIFX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247885;MM247885;C#CC(C)C=C(C)C(C)N;MSYAGTOEMSHHSA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247886;MM247886;C#CC(F)C=C(C)C(C)N;YWYMEHCLUQSVAM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247887;MM247887;CNC(=O)C(C=NN)OC;IKZOMBNDTRWZGI-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247888;MM247888;C#CC(F)C=C(C)C(C)O;ZHCIXDLKAUIUCR-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247889;MM247889;C#CC(C)C=C(C)C(C)F;DISZBLKQLWUTOM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247890;MM247890;C#CC(N)C=C(C)C(F)F;IXUNCNKSLXCVBO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247891;MM247891;C#CC(O)C=C(C)C(F)F;KJVYZJFOODQQTC-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247892;MM247892;C#CC(F)C=C(C)C(F)F;PXMRPQHIMYSKSN-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247893;MM247893;C#CC(C)C=C(F)C(C)C;FWOPTDPSADGXGE-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247894;MM247894;C#CC(N)C=C(F)C(C)C;YGMUIGXZDXHXLC-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247895;MM247895;C#CC(C)N=C(C)N(C)C;UHBATDWIVXVUJV-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247896;MM247896;C=C(C=C(C)C(C)C)CC;WPYGTPCRLZTLEH-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247897;MM247897;C=C(C=C(C)C(C)C)CN;CGOWHOHWLJLGPD-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247898;MM247898;C=C(C=C(C)C(C)C)CO;YJZCGBRXUYEAGY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247899;MM247899;C=C(C=C(C)C(C)C)CF;ISVMAZCTOJSKKL-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247900;MM247900;CCC(=O)C=C(C)C(C)C;JFBULHHVNKDOSH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247901;MM247901;CC(=CC(=O)CF)C(C)C;ZZXVTASLVKXMKH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247902;MM247902;C=C(C=C(C)C(C)N)CC;ZDAFSLQIVIEQQH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247903;MM247903;C=C(C=C(C)C(C)N)CF;FDDIBBUQJGFOOI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247904;MM247904;C=C(CC)C(=NOC)NO;ZYNFFPPFHINXJW-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247905;MM247905;C=C(C=C(C)C(C)O)CN;VGOGKPRNZCNTLU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247906;MM247906;C=C(C=O)C(=NNC)NO;KBWZUNFQBHVXCF-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247907;MM247907;CCC(=O)C=C(C)C(C)O;PHVQFZAHYVDEOE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247908;MM247908;C=C(C=C(C)C(C)F)CC;ZSEXLRBHLOFYRD-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247909;MM247909;C=C(C=C(C)C(C)F)CN;DORPBZSYKNZLCK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247910;MM247910;C=C(C=C(C)C(C)F)CF;XBXXNCZYEBPCMM-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247911;MM247911;CCC(=O)C=C(C)C(C)F;BDLGZCISNCBGKT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247912;MM247912;CC(=CC(=O)CF)C(C)F;QXCJURLVSXVRTI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247913;MM247913;C=C(C=C(C)C(F)F)CN;KMICELDQKTZAED-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247914;MM247914;CCC(=O)C=C(N)C(C)C;FQCNABWXQSNFAU-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247915;MM247915;CC(C)C(N)=CC(=O)CF;VRUKRJWFJVPPKV-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247916;MM247916;CCC(=O)C=C(N)C(C)O;WYYXYNNMPMLIQF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247917;MM247917;C=C(C=C(F)C(C)C)CC;NDDZQWUJHMTSNQ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247918;MM247918;C=C(C=C(F)C(C)C)CN;YCCUJLAFTMEERT-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247919;MM247919;C=C(C=C(F)C(C)C)CO;HTEDEVUPUFHXNW-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247920;MM247920;CC(O)C(F)=CC(=O)CO;HWQZWPJHMVEWEN-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247921;MM247921;C=C(C=C(F)C(C)F)CN;ADRTXBVBWHGTOE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247922;MM247922;CNC(=N)C=C(C)C(C)C;NEPJOEXVAXAOKE-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247923;MM247923;CC(=CC(=N)NN)C(C)C;LALWUQSAVLVCLY-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247924;MM247924;CC(=CC(=N)NO)C(C)C;GOTAKBIHKDNKBR-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247925;MM247925;CNC(=O)C(=CNN)N=N;VGVROPPZVFHEQD-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247926;MM247926;CON=C(NO)C(C)=CN;ZCQJYVFEDBLGLQ-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247927;MM247927;CC(=CC(=O)NO)C(C)C;AXQLEXLZPPIDTM-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247928;MM247928;CC(=CC(=O)NO)C(C)N;KSFWDDCDUQNLMO-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247929;MM247929;CC=CC(=NOC=O)NO;RKHMUNGYLCBNGZ-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247930;MM247930;CC(=CC(=O)NO)C(C)O;SUXIFUWFZJWQCG-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247931;MM247931;CNC(=N)C=C(C)C(C)F;KGKDLKQOIWJZTK-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247932;MM247932;CC(=CC(=N)NN)C(C)F;HYSRJLHPAHBHQU-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247933;MM247933;CC(=CC(=N)NO)C(C)F;UPKIZLJGNSONSY-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247934;MM247934;NC=CC(=NOC=O)NO;KPWUJBBQTDZSFA-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247935;MM247935;CNC(=O)C=C(C)C(F)F;YQGZESIZZBTNRV-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247936;MM247936;CC(C)C(N)=CC(=N)NN;AAQIBVYOKUBQMA-UHFFFAOYSA-N;142.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247937;MM247937;C#CC(=O)C(CO)N(C)C;VSWRZQFIPKXFMC-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247938;MM247938;CC(C)C(N)=CC(=O)NO;HKIFKCRBPCXEEO-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247939;MM247939;CC(N)C(N)=CC(=N)NO;SVXVAZGHTPCLJE-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247940;MM247940;CNC(=N)C=C(N)C(C)O;YHTJHHHMGBEPIZ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247941;MM247941;CC(O)C(N)=CC(=N)NO;VUIFBMJVDSUTFB-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247942;MM247942;CNC(=O)C=C(N)C(C)O;FIINOXJRJZBJEY-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247943;MM247943;CNC(=N)C=C(F)C(C)C;OXQIJSYITQGPIM-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247944;MM247944;CC(C)C(F)=CC(=N)NN;JKSGHGPZLMHLKX-UHFFFAOYSA-N;145.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247945;MM247945;CNC(=O)C=C(F)C(C)C;QFNLMKMFQZALEQ-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247946;MM247946;C=C(C=C(C)C(C)C)OC;PYBKGIDQCTWEJZ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247947;MM247947;COC(=O)C=C(C)C(C)F;GJHRYGUUNLRPOM-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247948;MM247948;COC(=O)C=C(C)C(F)F;UZOZVTWJQRYYFR-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247949;MM247949;COC(=O)C=C(N)C(C)C;QBZUNIPJVKAQQC-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247950;MM247950;COC(=O)C=C(N)C(C)O;FOJGAEXLEFZLPV-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247951;MM247951;COC(=O)C=C(F)C(C)F;COUUEZSKRRXOSO-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247952;MM247952;CCC(=O)C=C(C)N(C)C;JSIIZRLBGUWVSP-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247953;MM247953;C#CC(N=CNO)C(N)=O;MWVNTVWUWNUGJR-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247954;MM247954;CN(C)C(N)=CC(=N)NN;FNAKFYRMPQWREA-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247955;MM247955;CN(C)C(N)=CC(=N)NO;ZJRUCOFKFOYCGN-UHFFFAOYSA-N;144.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247956;MM247956;C=C(C)C(=NOC=O)NO;KYBMFVXJUDSTJS-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247957;MM247957;N=C(NO)c1coc(=O)o1;OCOHTVHAHCCNRM-UHFFFAOYSA-N;144.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247958;MM247958;Cc1noc(=N)nc1NO;DRGDJJISJHEZIN-UHFFFAOYSA-N;142.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247959;MM247959;CC(=NC(=O)CO)N(C)O;VILJZNXZXSGBNP-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247960;MM247960;CC(=NC(=O)CF)N(C)O;NXWBLWBIFSOCHX-UHFFFAOYSA-N;148.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247961;MM247961;COC(=N)N=C(C)N(C)C;NBGFBTRXKXBBFR-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247962;MM247962;C=CC(=C)C=C(C)C(C)C;OHKLLXBRMUTGLS-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247963;MM247963;C=C(C=O)C=C(C)C(C)C;NXPJTWYNJKYGPM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247964;MM247964;C=C(C#N)C=C(C)C(C)C;RROKHFXNXKEOJV-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247965;MM247965;C=CC(=O)C=C(C)C(C)C;KJQOLLRWOFOXSC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247966;MM247966;CC(=CC(=O)C=O)C(C)C;YRVZZDIUOLRFKU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247967;MM247967;CC(=CC(=O)C#N)C(C)C;KIAXLNVAIXWDJN-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247968;MM247968;C=CC(=C)C=C(C)C(C)N;DRLNQAFNPFIKNU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247969;MM247969;Nn1ccc(=O)c(CO)c1;MZOWSOSFKAEEBH-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247970;MM247970;Nn1ncc(NO)nc1=O;GYPHZHLIRPAXPR-UHFFFAOYSA-N;143.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247971;MM247971;CCNc1ccc(CO)[nH]1;HMGHYNBNQWNJHC-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247972;MM247972;C=CC(=O)C=C(C)C(C)O;YXUWFCLLCJTXTG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247973;MM247973;C=CC(=C)C=C(C)C(C)F;VXRVVLJXSOPYDX-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247974;MM247974;C=C(C=O)C=C(C)C(C)F;WJZWYDUGDULFPN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247975;MM247975;C=C(C#N)C=C(C)C(C)F;FFTBGWKSLNTEBF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247976;MM247976;C=C(C=O)C=C(C)C(F)F;MSRXYGMGDUIEQA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247977;MM247977;C=C(C#N)C=C(C)C(F)F;ROBYWZIMPDJHEH-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247978;MM247978;C=CC(=O)C=C(C)C(F)F;BOUDVJLALUVLPI-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247979;MM247979;CC(=CC(=O)C#N)C(F)F;PQFZVJQIGLVUCS-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247980;MM247980;C=CC(=O)C=C(N)C(C)C;HADOZJLGXVNDOW-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247981;MM247981;CC(C)C(N)=CC(=O)C#N;SRVFUYNSUKJKOQ-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247982;MM247982;CC(O)C(N)=CC(=O)C=O;NIELRGAEPRNEHL-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247983;MM247983;CC(O)C(N)=CC(=O)C#N;AYSPDPSJUKUGDP-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247984;MM247984;C=CC(=O)C=C(N)C(C)F;ZKQDVNNAIOTZGD-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247985;MM247985;NC(=CC(=O)C=O)C(F)F;FTVFNBNOWYUSPW-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247986;MM247986;C=C(C#N)C=C(F)C(C)C;DDIPOABQOYXOIK-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247987;MM247987;C=CC(=O)C=C(F)C(C)C;ZMWODESVGMUWQA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247988;MM247988;CC(=NC(=O)C=O)N(C)C;UWLTZBBWXSWZKJ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247989;MM247989;C#CC(=C)C=C(C)C(C)C;SVXXPCXWHMKRIL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247990;MM247990;C#CC(=O)C=C(C)C(C)C;SVQBFIMESAMMEL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247991;MM247991;C=CN=C1CNC(CF)=N1;NPSANCYRGRYMFH-UHFFFAOYSA-N;141.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247992;MM247992;C#CC(=O)C=C(C)C(C)O;LDTLVPSYQYENHS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247993;MM247993;C#CC(=C)C=C(C)C(C)F;OZOTUGZQOMKTOU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247994;MM247994;C#CC(=O)C=C(C)C(C)F;LMNONMDAOAIUBN-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247995;MM247995;C#CC(=O)C=C(N)C(C)C;OCABONCYZNMCKW-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247996;MM247996;C#CC(=C)C=C(F)C(C)C;KRQMDANPFYMEKR-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247997;MM247997;C#CC(=O)C=C(F)C(C)C;HIRJHKKBKZADKB-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247998;MM247998;C=C(C)C(C)=CC(C)CC;PXALTFYWTPOBMV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM247999;MM247999;C=C(C)C(C)=CC(C)CN;AEZWGTAHDSRSJI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248000;MM248000;C#CC1(C2C(C)C2O)CN1;WYEPEHANCFGWCA-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248001;MM248001;C=C(C)C(C)=CC(N)CC;PTOSNURJADDXNX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248002;MM248002;C=C(C)C(C)=CC(N)CO;MHWVOTLHVVZTKT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248003;MM248003;C=C(C)C(C)=CC(N)CF;JAEXYKPPFIZWBL-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248004;MM248004;N=CN(N)C(=O)CF;KHNPLKPVJUDXSN-UHFFFAOYSA-N;119.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248005;MM248005;C=C(C)C(C)=CC(O)CF;COBWYNHWXGGJPL-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248006;MM248006;C=C(C)C(C)=CC(F)CN;YSUIXPRJHMIAJR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248007;MM248007;C=C(C)C(C)=CC(F)CO;PZHHMEMCFYCJCM-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248008;MM248008;C=C(C)C(C)=CC(F)CF;MMDYWLNNHBLAPW-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248009;MM248009;CCC(C)C=C(C)C(C)=O;IGGLXFFDERYJLU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248010;MM248010;CN(C=N)N=CCO;ITYQYYZGZNHZBI-UHFFFAOYSA-N;115.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248011;MM248011;CC(=O)C(C)=CC(C)CF;LJMAXFSTUQGISU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248012;MM248012;CCC(O)C=C(C)C(C)=O;QFCXDRUXJDAEIQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248013;MM248013;CCC(F)C=C(C)C(C)=O;HARNFWIWVSMISL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248014;MM248014;CC(=O)C(C)=CC(F)CF;JCTJKAAWADEHHC-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248015;MM248015;CCC(C)C=C(C)C(=N)N;IZYLDLFBKYLXOE-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248016;MM248016;CC(=CC(C)CN)C(=N)N;YGFXDXHOKYSODC-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248017;MM248017;CC(=CC(C)CF)C(=N)N;ZGJXPJIRCYQZOX-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248018;MM248018;CC(=CC(N)CN)C(=N)N;JPUBZSAHVOVIQD-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248019;MM248019;CC(=CC(N)CO)C(=N)N;BWKXCWKQVBOSPQ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248020;MM248020;CC(=CC(O)CN)C(=N)N;ZXONPTRSGVIZDK-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248021;MM248021;CC(=CC(O)CO)C(=N)N;XADMHROVZZBXCR-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248022;MM248022;NN=C(C=CF)NO;XCYMIITZZVSCFV-UHFFFAOYSA-N;119.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248023;MM248023;Nc1ccc(CO)[nH]1;JLVSEPPMFWXVRR-UHFFFAOYSA-N;112.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248024;MM248024;CCC(N)C=C(C)C(N)=O;JZWJBSJZBAADDM-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248025;MM248025;CC(=CC(N)CN)C(N)=O;QZFUIVJTCFUWQO-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248026;MM248026;CCC(O)C=C(C)C(N)=O;CIDITGAEQUOARK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248027;MM248027;NN=CNN=CCO;CIJXPXLUKKUXIF-UHFFFAOYSA-N;116.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248028;MM248028;CCC(C)C=C(C)C(=O)O;DCELYZLYGOHVMN-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248029;MM248029;CC(=CC(C)CF)C(=O)O;JMSPSBBUNIAQRO-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248030;MM248030;CC(=O)NCCCC(=O)O;UZTFMUBKZQVKLK-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248031;MM248031;NC(=O)CCCCC(=O)O;NOIZJQMZRULFFO-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248032;MM248032;Oc1cc(F)n(O)n1;AODWXEFOORLFSE-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248033;MM248033;CCC(F)C=C(C)C(=O)O;WCOPKFGNUKYWLV-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248034;MM248034;C=Cc1nnn[nH]1;VTQMJCSAHXYXPJ-UHFFFAOYSA-N;96.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248035;MM248035;C=C(F)C(C)=CC(N)CN;QXUQDAVVGRZSOP-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248036;MM248036;C=C(F)C(C)=CC(N)CF;VDNAQIZVHLWVQR-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248037;MM248037;C=C(F)C(C)=CC(O)CO;ZENRXEDLLKCZKG-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248038;MM248038;C=C(F)C(C)=CC(F)CN;QWYINPVIMVGMBG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248039;MM248039;C=C(C)C(F)=CC(C)CF;XMUNWJCBUBJUEE-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248040;MM248040;C=C(C)C(F)=CC(N)CN;YOYGCLQFXZATBO-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248041;MM248041;C=C(C)C(F)=CC(N)CF;JWFGHBJVEKADLX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248042;MM248042;C=C(C)C(F)=CC(O)CC;NEKSVBUHSWUURT-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248043;MM248043;C=C(C)C(F)=CC(O)CO;XLTPTKXOTMIJIO-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248044;MM248044;C=C(C)C(F)=CC(F)CC;OUKKCMCYXGEPQS-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248045;MM248045;C=C(C)C(F)=CC(F)CN;PZPGSTZGQJXZDC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248046;MM248046;CCC(O)C=C(F)C(C)=O;MNRAIDBFCJYYMZ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248047;MM248047;CCC(F)C=C(F)C(C)=O;FDWFELYDCVYHKA-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248048;MM248048;CC(=O)C(F)=CC(F)CF;XTSNLPCGHNMUKO-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248049;MM248049;CC(C=C(F)C(=N)N)CN;PAZZFTXBYGZTDK-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248050;MM248050;CC(C=C(F)C(=N)N)CO;YKCSMTRFUBRXPS-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248051;MM248051;CCC(N)C=C(F)C(=N)N;NGWMTLZEIKDJFD-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248052;MM248052;N=C(N)C(F)=CC(N)CN;DAAOOWVNGVAZHO-UHFFFAOYSA-N;146.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248053;MM248053;N=C(N)C(F)=CC(N)CO;WMDXDLXEBPRXBU-UHFFFAOYSA-N;147.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248054;MM248054;CC(C=C(F)C(N)=O)CO;HHUVFIXVVFYXFH-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248055;MM248055;C=Cc1nnn(N)c1O;UNEAPUPFOJCYPS-UHFFFAOYSA-N;126.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248056;MM248056;C=C(F)C(F)=CC(O)CO;TUDNJNRNIARKLW-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248057;MM248057;CNC(C)C=C(C)C(=N)N;WZFDHRGILPJFPF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248058;MM248058;CNC(C)C=C(C)C(N)=O;GHPXRMMPBIUEFV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248059;MM248059;C=C(F)C(C)=CC(C)NC;JVOCDTNLGAXQDK-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248060;MM248060;C=C(C)C(F)=CC(C)NC;ZLXUUBZVHKYLLV-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248061;MM248061;CNC(C)C=C(F)C(C)=O;UETZGRBTFZCLAK-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248062;MM248062;CNC(C)C=C(F)C(=N)N;HPKUIPMNQGFPJA-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248063;MM248063;CNC(C)C=C(F)C(N)=O;DDQUCJZVLUUEBW-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248064;MM248064;C=C(F)C(F)=CC(C)NC;SZACMTGGRUFWAH-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248065;MM248065;COC(C)C=C(C)C(C)=O;KIFBWPKHCHYBNE-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248066;MM248066;NN=C(C=C(N)N)NO;LGBOOWALPWXNLV-UHFFFAOYSA-N;131.14;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248067;MM248067;C=C(F)C(C)=NN(C)CC;XIGXCIJTSSSUCZ-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248068;MM248068;C=CC(C)C=C(C)C(=C)C;NBNZEKDBGHRGTM-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248069;MM248069;C=C(C)C(C)=CC(C)C=O;AMHKIERZXKZFFR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248070;MM248070;C=CC(N)C=C(C)C(=C)C;XUVGQOSHGNVPIX-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248071;MM248071;NN=C(C=C(F)F)NO;YHWUTVFXYLNVPR-UHFFFAOYSA-N;137.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248072;MM248072;C=C(C)C(C)=CC(O)C#N;GQDNTWDWFBMQSU-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248073;MM248073;C=CC(F)C=C(C)C(=C)C;BICNQQLYQHHMMQ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248074;MM248074;C=C(C)C(C)=CC(F)C=O;FAGNGTAWYKCPFQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248075;MM248075;C=C(C)C(C)=CC(F)C#N;PVZKSMOXDQUVNF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248076;MM248076;C=CC(C)C=C(C)C(C)=O;KUXVNVOCCGHFBT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248077;MM248077;CC(=O)C(C)=CC(C)C=O;ZCLVFLVNITZKKF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248078;MM248078;CC(=O)C(C)=CC(C)C#N;GLBPSTVDYJFYNR-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248079;MM248079;C=CC(F)C=C(C)C(C)=O;RYZDQZHGVVLWQE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248080;MM248080;CC(=O)C(C)=CC(F)C#N;JSPDKLNUROCDQD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248081;MM248081;C=CC(C)C=C(C)C(=N)N;ARNAVHFRZJSVFJ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248082;MM248082;CC(=CC(C)C=O)C(=N)N;AKWIIGOLRBKWDC-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248083;MM248083;CC(=CC(C)C#N)C(=N)N;LCJJJEGRCLPZAH-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248084;MM248084;C=CC(N)C=C(C)C(=N)N;FWUZVTYBPBJRSQ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248085;MM248085;CC(=CC(O)C=O)C(=N)N;UFGUJNXEMKMYBT-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248086;MM248086;NC(=O)C=NN=CNO;HUYSFMLJUXFIFD-UHFFFAOYSA-N;130.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248087;MM248087;CN=CN(C)N=CCO;HGDSLBKFAJQCMN-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248088;MM248088;C=CC(N)C=C(C)C(N)=O;PAYKXPXRARYGNY-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248089;MM248089;C=CC(O)C=C(C)C(N)=O;QCGLZEPHKKURIH-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248090;MM248090;CC(=CC(O)C=O)C(N)=O;QIFZPAPROOIQRD-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248091;MM248091;C=CC(C)C=C(C)C(=O)O;ADHAHTZEFNOBHJ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248092;MM248092;CNn1nnc(O)c1N;LJKMCMWCLMFACV-UHFFFAOYSA-N;129.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248093;MM248093;N=CN=c1[nH]oc(=NN)o1;UWLJDUBSUQBSKH-UHFFFAOYSA-N;143.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248094;MM248094;Nc1cc(O)[nH]n1;QZBGOTVBHYKUDS-UHFFFAOYSA-N;99.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248095;MM248095;CC(=CC(F)C#N)C(=O)O;BVDBXMJMGSBFAQ-UHFFFAOYSA-N;143.12;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248096;MM248096;C=C(F)C(C)=CC(C)C=O;AWWYBZZTVRUPTJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248097;MM248097;C=C(F)C(C)=CC(C)C#N;HZYPZQIOXPTUMW-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248098;MM248098;C=CC(N)C=C(C)C(=C)F;RRZSXWOYYYTDPC-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248099;MM248099;C=CC(O)C=C(F)C(=C)C;ZUGOPDBIBGFNSR-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248100;MM248100;C=CC(C)C=C(F)C(C)=O;FPDMHJATVQFHSD-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248101;MM248101;CC(=O)C(F)=CC(C)C=O;RJFVPYSTXYLMKI-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248102;MM248102;C=CC(N)C=C(F)C(=N)N;BSFXZKJGDAXHMG-UHFFFAOYSA-N;143.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248103;MM248103;CC(C=O)C=C(F)C(N)=O;JHDWCVVSNBTLBG-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248104;MM248104;C=Cn1oc(O)nc1=NN;YLWZCZNFMFPJRI-UHFFFAOYSA-N;142.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248105;MM248105;C=C(F)C(F)=CC(O)C=O;FQYZEJAJLDUYNR-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248106;MM248106;C=C(C)C(C)=CN(C)C=N;YTDVZMGBHCZIQR-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248107;MM248107;C=C(C)C(C)=CN(C)C=O;SONIKOKZAQJYPI-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248108;MM248108;C=C(C)C(C)=CN(N)C=N;FWXMAFCSIVLXIF-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248109;MM248109;C=C(C)C(C)=CN(N)C=O;XLPXQQUTKGFWDL-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248110;MM248110;C=C(C)C(C)=CN(O)C=O;VCKSZXXMGFMVJT-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248111;MM248111;CC(=O)C(C)=CN(C)C=N;ONYODUAUOBQKNJ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248112;MM248112;C=C(F)C(C)=CN(C)C=O;YNFODVRUNUXYON-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248113;MM248113;C=C(C)C(F)=CN(N)C=O;NGFWGAPFWJHXHG-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248114;MM248114;CN(C=NN)N=CCO;ZUQUQKUUCNRVLH-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248115;MM248115;CC(=NN(C)C=N)C(=N)N;HVKXKTUFIQTYEH-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248116;MM248116;CC(=NN(C)C=O)C(=N)N;LRBVFUXUOYJDFS-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248117;MM248117;CC(=NN(C)C=O)C(N)=O;ZWHPLNVMTKUKGU-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248118;MM248118;C=NOC(C)(C)CC(=O)O;CEBINSPOIXCSPQ-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248119;MM248119;C=C(C)C=NNCC(=O)O;FWTGWQJAUQZPIN-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248120;MM248120;C=C(F)C(C)=NN(C)C=O;RIJNFLPJPRQAGM-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248121;MM248121;C#CC(C)C=C(C)C(=C)C;UQCUVKTZFBABHM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248122;MM248122;C#CC(N)C=C(C)C(=C)C;DXJXROAZXJQGRM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248123;MM248123;C#CC(O)C=C(C)C(=C)C;NVZZPVJDUGJJTP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248124;MM248124;C#CC(C)C=C(C)C(C)=O;QABJNPSHNIAAOP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248125;MM248125;C#CC(F)C=C(C)C(C)=O;STWSGWCOYKYNAZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248126;MM248126;C#CC(C)C=C(C)C(=N)N;IZKFUQIUHFYCBZ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248127;MM248127;C#CC(N)C=C(C)C(=N)N;FQUBRCIBZXCDJI-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248128;MM248128;CNN=C(C=CF)NO;QXSQQFBFRMHCAD-UHFFFAOYSA-N;133.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248129;MM248129;C=NNc1ccn(N)n1;SKIZWBCVXCNMNN-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248130;MM248130;C#CC(C)C=C(C)C(=O)O;GGUHFGLYFCVPBP-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248131;MM248131;C#CC(C)C=C(C)C(=C)F;NQGXYHCLXBWDCM-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248132;MM248132;C#CC(N)C=C(C)C(=C)F;QHAQUKWPCUIJSZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248133;MM248133;C#CC(O)C=C(C)C(=C)F;GNPSDXJOJFVTHQ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248134;MM248134;C#CC(C)C=C(F)C(=C)C;XPKPHYWTQBHQNY-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248135;MM248135;C#CC(N)C=C(F)C(=C)C;MTOBXXUZIYMXEA-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248136;MM248136;C#CC(C)C=C(F)C(C)=O;IUCPAJBQNRYRMG-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248137;MM248137;C#CC(F)C=C(F)C(N)=O;HGOTYKMBWQISHT-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248138;MM248138;C#CC(C)C=C(F)C(=C)F;RNPMAOGTRLJJMY-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248139;MM248139;C=C(C=C(C)C(=C)C)CC;BLBDRJBZCWRHDQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248140;MM248140;C=C(C=C(C)C(=C)C)CN;TWDFSIMAXKWOLH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248141;MM248141;C=C(C=C(C)C(=C)C)CO;BLXBPQDWEGGRJG-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248142;MM248142;C=C(C=C(C)C(=C)C)CF;KESUYWVZGPISRA-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248143;MM248143;C=C(C)C(C)=CC(=O)CC;VAWCATIMNLARKF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248144;MM248144;C=C(C)C(C)=CC(=O)CF;CBGXHVLYKRRTDE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248145;MM248145;C=C(C=C(C)C(C)=O)CC;RFFGHIGWHXOASJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248146;MM248146;C=C(C=C(C)C(C)=O)CF;XLMQOUUJUWYKCH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248147;MM248147;CCC(=O)C=C(C)C(C)=O;DEVPNFLNXTVQTR-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248148;MM248148;C=C(C=C(C)C(=N)N)CC;QLVGBAWCZGYYCB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248149;MM248149;C=C(C=C(C)C(=N)N)CN;BWFVCUHFICQRGM-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248150;MM248150;CC(=CC(=O)CO)C(=N)N;TYPBGKVKNFHUGV-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248151;MM248151;Cc1c(N)n[nH]c1C=O;FUVBTGBHTZXHOB-UHFFFAOYSA-N;125.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248152;MM248152;C=C(C=C(C)C(N)=O)CN;IWOZOTKNZLTYOI-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248153;MM248153;Nc1c(CO)ccn1N;LFQGBIUZZUWECH-UHFFFAOYSA-N;127.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248154;MM248154;CC(=CC(=O)CO)C(N)=O;KLJGEBHVWRLQOM-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248155;MM248155;C=C(C=C(C)C(=O)O)CC;YMXIOCBYCGIMIO-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248156;MM248156;Nn1c(O)cc(=O)nc1O;JIVMYMTZEAPYCH-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248157;MM248157;O=CC(=O)NC(=O)C=O;AAZORLAIXRLDII-UHFFFAOYSA-N;129.07;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248158;MM248158;C=C(C=C(C)C(=C)F)CO;BPGPKDCZIRSNBJ-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248159;MM248159;C=C(F)C(C)=CC(=O)CC;CZBFDIFMASYCJV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248160;MM248160;C=C(F)C(C)=CC(=O)CF;YQBCBNZITGPNAQ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248161;MM248161;C=C(C)C(N)=CC(=O)CC;UUWCVSHLTRDVGD-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248162;MM248162;C=C(C)C(N)=CC(=O)CO;QPLQHOXGLZDAAJ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248163;MM248163;C=C(C)C(N)=CC(=O)CF;FCUWBVLRWVJTPH-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248164;MM248164;CCC(=O)C=C(N)C(=N)N;YQCSVDDTCCZUHF-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248165;MM248165;N=C(N)C(N)=CC(=O)CO;IYVFJYQYVXLMRK-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248166;MM248166;N=C(N)C(N)=CC(=O)CF;YQKJLLXTVVLSAK-UHFFFAOYSA-N;145.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248167;MM248167;CC(=O)CCCC(=O)O;MGTZCLMLSSAXLD-UHFFFAOYSA-N;130.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248168;MM248168;C=C(F)C(N)=CC(=O)CO;YOHVPTDZJBJHFB-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248169;MM248169;C=C(C=C(F)C(=C)C)CN;WVFWGPDIXVXEKQ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248170;MM248170;C=C(C=C(F)C(=C)C)CF;PUISKCZBHHKMHZ-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248171;MM248171;C=C(C)C(F)=CC(=O)CC;JQQPSQAPFDWZMN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248172;MM248172;C=C(C)C(F)=CC(=O)CF;IQHFSWAVYKOWDL-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248173;MM248173;C=C(C=C(F)C(C)=O)CC;MXBLMHXLVRXPRM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248174;MM248174;C=C(C=C(F)C(C)=O)CF;HFOUOBVCMOYARA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248175;MM248175;C=C(C=C(F)C(N)=O)CO;LZKAWZNXNXXBEU-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248176;MM248176;NC(=O)C(F)=CC(=O)CF;NMHTZWLMAFEHKJ-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248177;MM248177;C=C(OC)C(C)C(=O)O;JXEDTVNFWVUKDO-UHFFFAOYSA-N;130.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248178;MM248178;C=C(C)C(C)=CC(=N)NC;JXZHMZGVSIVKAP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248179;MM248179;C=C(C)C(C)=CC(=N)NN;OJUSAKHMTVLBHP-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248180;MM248180;C=C(C)C(C)=CC(=N)NO;VYGHWKHQMXMQHH-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248181;MM248181;CCN(C=N)N=CCO;NIMDTOUHKXBHRL-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248182;MM248182;CCN(C=O)N=CCO;HADKERWVCCDBHI-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248183;MM248183;C=C(C)C(C)=CC(=O)NO;RZWGVGDJXIGOND-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248184;MM248184;CC(=O)C(C)=CC(=O)NO;QXEZGPVHWPSWMR-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248185;MM248185;CNC(=O)C=C(C)C(=N)N;JAVZVBOVBOASES-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248186;MM248186;C=C(F)C(C)=CC(=N)NC;UUMASJIRYIODOV-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248187;MM248187;C=C(F)C(C)=CC(=O)NO;SVYRKJWQJYBSFI-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248188;MM248188;CN=C(N)C=C(N)C(C)=O;WFTJSPKVLHYIAI-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248189;MM248189;CNC(=N)C=C(N)C(=N)N;SDOMCFCUPPKYSO-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248190;MM248190;N=C(C=C(N)C(=N)N)NN;PTVBPYRVLAPBPJ-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248191;MM248191;N=C(C=C(N)C(=N)N)NO;MYRLPCCBGAYCMS-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248192;MM248192;CNC(=O)C=C(N)C(=N)N;PRKJRRZDVNXYMT-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248193;MM248193;CN=C(N)C=C(N)C(N)=O;FBTLMVJNLMNWJN-UHFFFAOYSA-N;142.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248194;MM248194;N=CN(C=N)N=CCO;JJRGEYZVORZQRV-UHFFFAOYSA-N;128.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248195;MM248195;COCCONC(=O)CO;SHKWVNIEPXYXKZ-UHFFFAOYSA-N;149.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248196;MM248196;C=C(C)C(F)=CC(=N)NC;BGRJHBXFJOPKSF-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248197;MM248197;C=C(C)C(F)=CC(=N)NN;DJNOLYCZQVJHPT-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248198;MM248198;CNc1ncn(NC)n1;HDFILHHCNFBGSR-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248199;MM248199;C=C(C)C(F)=CC(=O)NO;PJNARXBJYWACPY-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248200;MM248200;CNC(=N)C=C(F)C(=N)N;XQNJRPORIDUMHH-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248201;MM248201;N=C(C=C(F)C(=N)N)NN;CBJAFWPLGNZISB-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248202;MM248202;O=C(CO)NOCCO;PZGJCZDOFMCION-UHFFFAOYSA-N;135.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248203;MM248203;C=C(C=C(C)C(=C)C)OC;RLOALYHVGDCFQT-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248204;MM248204;C=C(C=C(C)C(C)=O)OC;FUUHFHVQOBDIDA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248205;MM248205;O=CCCNN=CCO;RGSSSPVLDLHGPM-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248206;MM248206;Nc1cn(C=O)nc1O;PRMYDAGVVIZEQM-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248207;MM248207;COC(=O)C=C(N)C(=N)N;YADWJAZQWYMBEH-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248208;MM248208;O=CC=CNN=CCO;MFBXCYBWUQZHRT-UHFFFAOYSA-N;128.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248209;MM248209;C=C(C=C(F)C(C)=O)OC;LAIWHPGFAGNVTI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248210;MM248210;COC(=O)C=C(F)C(C)=O;FPIUZGFBNZHQGV-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248211;MM248211;C=C(C=C(F)C(N)=O)OC;HMVGDICGSYIXDK-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248212;MM248212;COC(=O)C=C(F)C(N)=O;KCQPTNJJASFPOR-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248213;MM248213;C=CC(=C)C=C(C)C(=C)C;BHQWHWOQLCHQBB-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248214;MM248214;C=C(C=O)C=C(C)C(=C)C;XURCNLHSDMVPGC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248215;MM248215;C=C(C#N)C=C(C)C(=C)C;JUHTYTVPYRJCSM-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248216;MM248216;C=CC(=O)C=C(C)C(=C)C;MBJQFZLEWQWJIJ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248217;MM248217;C=CC(=C)C=C(C)C(C)=O;GTKCHZOFTKXGBL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248218;MM248218;C=C(C=O)C=C(C)C(C)=O;VXRHEQAAQPNDEX-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248219;MM248219;C=C(C#N)C=C(C)C(C)=O;DMIWSULDDNPSAJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248220;MM248220;C=CC(=O)C=C(C)C(C)=O;GBKGXDBMWVEBEQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248221;MM248221;CC(=O)C(C)=CC(=O)C=O;XCWPJCWOODIZPP-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248222;MM248222;CC(=O)C(C)=CC(=O)C#N;NPVFDWZENBAVGU-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248223;MM248223;C=CC(=C)C=C(C)C(=N)N;CEDMUTDNUUBFEV-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248224;MM248224;C=C(C#N)C=C(C)C(=N)N;NRWLOQTVAROFIT-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248225;MM248225;N#CC=CNN=CCO;LJSCKOXFQMRKTN-UHFFFAOYSA-N;125.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248226;MM248226;CNC(=O)ON(C)C=NN;ICCONTKQOTUFHT-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248227;MM248227;C=CC(=C)C=C(C)C(=O)O;AUUIWEMEEKTJEE-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248228;MM248228;C=C(CC=CCO)C(=O)O;VRHKHPWNZPSBCF-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248229;MM248229;C=C(C#N)C=C(C)C(=O)O;DMUITXJYKWFOFN-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248230;MM248230;C=C(C=O)C=C(C)C(=C)F;JQHYGNJTRKFCRC-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248231;MM248231;C=C(F)C(C)=CC(=O)C#N;ZLNCHSXRGNUNPH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248232;MM248232;C=CC(=O)C=C(N)C(=C)C;IJASPCZHLROJBV-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248233;MM248233;C=CC(=O)C=C(N)C(=N)N;AZRDHWMMUGAQQO-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248234;MM248234;CNC(=O)N(N)CC(N)=O;YNCJLFHBRZGOEU-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248235;MM248235;NC(=O)C(N)=CC(=O)C=O;YDTRNHILVMWVHP-UHFFFAOYSA-N;142.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248236;MM248236;C=CC(=O)C=C(N)C(=C)F;FLTDBXGLXNSLAH-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248237;MM248237;C=CC(=C)C=C(F)C(=C)C;WQMYYAUMPBGJRD-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248238;MM248238;C=C(C=O)C=C(F)C(=C)C;LTDQNWONNDPYRY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248239;MM248239;C=C(C#N)C=C(F)C(=C)C;NCSGPNPBYOPOAR-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248240;MM248240;C=C(C)C(F)=CC(=O)C=O;OAPLETKLKKXARK-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248241;MM248241;C=CC(=C)C=C(F)C(C)=O;ZJHXPCTYDLCCLU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248242;MM248242;C=CC(=O)C=C(F)C(C)=O;SAUZZEAGIXJDLN-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248243;MM248243;N#CC(=O)C=C(F)C(=O)O;GZWOEWYLAJEIHD-UHFFFAOYSA-N;143.07;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248244;MM248244;C#CC(=C)C=C(C)C(=C)C;WXMOSDSQYJGILX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248245;MM248245;C#CC(=O)C=C(C)C(=C)C;FLICUYHIMJSUCC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248246;MM248246;C#CC(=C)C=C(C)C(C)=O;FXUXHCCRXVABLU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248247;MM248247;C#CC(=O)C=C(C)C(C)=O;RQHQJUCLQONZCR-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248248;MM248248;C#CC(=C)C=C(C)C(=N)N;MAQGUSVMAUZZQX-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248249;MM248249;C#CC(=C)C=C(C)C(=O)O;DSTMXRYZLPLWSF-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248250;MM248250;C#CC(=O)C=C(N)C(=N)N;ACQHRXOMEVGMRF-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248251;MM248251;C#CC(=O)C=C(N)C(N)=O;FDTFZGIDRQQFTO-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248252;MM248252;C#CC(=C)C=C(F)C(=C)C;HDOQXEOJGGTWRU-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248253;MM248253;C#CC(=O)C=C(F)C(=C)C;NDWBXWLIUXRIHP-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248254;MM248254;C#CC(=C)C=C(F)C(C)=O;RDJSPVWOGCAMHZ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248255;MM248255;C#CC(=O)C=C(F)C(C)=O;DGLSYHDWKFDTDT-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248256;MM248256;C#CC(=C)C=C(F)C(N)=O;IWGYICSZHSKHIS-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248257;MM248257;CC=C(C)C=C(C)C(C)C;QNZGDRGYUINXKD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248258;MM248258;CC=C(F)C=C(C)C(C)C;UBHMWPYVPHPHQG-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248259;MM248259;CC=C(C)C=C(C)C(C)N;QPJWOJNFRWNFCA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248260;MM248260;CC(=CF)C=C(C)C(C)N;RASKCLRZXCSVLD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248261;MM248261;CC=C(F)C=C(C)C(C)N;DNOAPNOCWUGWST-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248262;MM248262;CC(=CC(F)=CF)C(C)N;BFMBWJIMXVXOOE-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248263;MM248263;CN(C)N=C(C=CF)NO;CFUSGSFSVOVBIG-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248264;MM248264;CC=C(F)C=C(C)C(C)O;YHDAMUKWWWSVKQ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248265;MM248265;CC(=CC(F)=CF)C(C)O;JAIGNCODBAZFMQ-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248266;MM248266;CC=C(C)C=C(C)C(C)F;SUWSDWRBLQHPLY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248267;MM248267;CC(=CF)C=C(C)C(C)F;AWNPVNBTJPVPGC-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248268;MM248268;CC(=CF)C=C(C)C(F)F;DJJKEUVDNWKNHO-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248269;MM248269;CC=C(C)C=C(F)C(C)C;PXKLFMIKOWCBPV-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248270;MM248270;CC(=CF)C=C(F)C(C)C;IXNBWXIWPSEGEB-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248271;MM248271;CC(=CC(C)=NN)C(C)C;AIMWYVFSODQTTR-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248272;MM248272;CNN=C(C=C(F)F)NO;CCPRVDWHUMRSPU-UHFFFAOYSA-N;151.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248273;MM248273;CN(C)N=CNN=CCO;LXKOQRIENDCUIA-UHFFFAOYSA-N;144.18;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248274;MM248274;CC(=CC(C)=NN)C(C)F;NICFXACTBCMXQO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248275;MM248275;CC(=CC(C)=NO)C(C)F;XOFRQMLPMYHQLK-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248276;MM248276;CC(=CC(C)=NN)C(F)F;NPXRLWMNCOLBNW-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248277;MM248277;CC(=CC(C)=NO)C(F)F;ORGHZTSNDUFMDD-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248278;MM248278;CCOC(=N)NN=CCO;AQVCEVRUXSPSBA-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248279;MM248279;CC(C=C(N)C(C)N)=NO;QAWPDHWZAUGNAP-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248280;MM248280;CC#CC(=N)NN=CCO;MFPDOUMSBCPRII-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248281;MM248281;CC(C=C(F)C(C)C)=NN;GZJJETTUIPWSAZ-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248282;MM248282;CC(C)C(=N)NC(N)=NN;KBNZFAVQZBYWMU-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248283;MM248283;CC(C)C(=N)NC(N)=NO;ISMCNJGNHQZOEJ-UHFFFAOYSA-N;144.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248284;MM248284;CC(N)C(=N)NC(N)=NO;WOVNBROORSGDHI-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248285;MM248285;CC(O)C(=N)NC(N)=NN;JZQNCQMNKVFPSV-UHFFFAOYSA-N;145.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248286;MM248286;CCN=C(C)NN=CCO;JFIXRJSZTJPMLJ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248287;MM248287;CN=C(C)N=C(C)N(C)C;MOWVQPHHKVWOOM-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248288;MM248288;CNC(=N)N=C(N)N(C)C;WSOJDCMEOXQRIG-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248289;MM248289;CN(C)C(=N)NC(N)=NN;JPMDLPMIUTVVPE-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248290;MM248290;CN(C)C(=N)NC(N)=NO;NDODFHZXSXBGMO-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248291;MM248291;C=C(C)C(C)=CC(C)=CC;SOHJCCPRZNUJMW-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248292;MM248292;C=C(C)C(C)=CC(C)=CF;DRAKHKUTQYXEMZ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248293;MM248293;C=C(C)C(C)=CC(F)=CC;CPZZZHYTNWMUFM-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248294;MM248294;C=C(C)C(C)=CC(F)=CF;SUWZZQLCQNAXED-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248295;MM248295;CC=C(C)C=C(C)C(C)=O;HSQOQFFOPNAOBC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248296;MM248296;CC=C(F)C=C(C)C(C)=O;HJFHWQIRYDIVDQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248297;MM248297;CC(=O)C(C)=CC(F)=CF;HWISTZYWJLDLEX-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248298;MM248298;CC=C(C)C=C(C)C(=N)N;DAVUGSKAOXGIMG-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248299;MM248299;CC=C(F)C=C(C)C(=N)N;YHKQCMKYCKOQDY-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248300;MM248300;CC(=CC(F)=CF)C(=N)N;BOMUHBVSVAQISH-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248301;MM248301;CNN=C(C)NN=CCO;BWBVKQBRCUFKQS-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248302;MM248302;C=C(C(=NN)NO)C(F)F;BSDCXIXLHLBBTI-UHFFFAOYSA-N;151.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248303;MM248303;C=C(F)C(=C)C(=NN)NO;QMFADFAKAMGZOH-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248304;MM248304;N=C(NN=CCO)C(F)F;VSKWJTKVUBLTLP-UHFFFAOYSA-N;151.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248305;MM248305;CC=C(C)C=C(C)C(=O)O;RJMYWDGRGHUHAH-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248306;MM248306;CC(=CF)C=C(C)C(=O)O;AALOUSNGTJTFFZ-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248307;MM248307;CC=C(F)C=C(C)C(=O)O;AIBJFFZXOHVODI-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248308;MM248308;C=C(F)C(C)=CC(C)=CF;GNPJEVQLLLWOHA-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248309;MM248309;C=C(C)C(F)=CC(C)=CF;JVCWRAIEFCQRTK-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248310;MM248310;C=C(C)C(F)=CC(F)=CC;SOMHGGVRYAUQOB-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248311;MM248311;C=C(C)C(F)=CC(F)=CF;HSIQGNVGMSSFEG-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248312;MM248312;C=C(C)C(C)=CC(C)=NN;GJWHIAHKPQJWLV-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248313;MM248313;CC(=O)C(=N)NN=CCO;KSULTBNCIYIYME-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248314;MM248314;CC(=O)C(C)=CC(C)=NO;KRVPODPXAOWCHL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248315;MM248315;CC(C=C(N)C(=N)N)=NO;YUGDTQBHKQCTMO-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248316;MM248316;CC(C=C(N)C(N)=O)=NO;XZXCNQVYUOQCEM-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248317;MM248317;C=C(C)C(F)=CC(C)=NN;MYHCEYJUPAOYRT-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248318;MM248318;CNN=CN(C)N=CCO;JWGUDWAHJZLDKB-UHFFFAOYSA-N;144.18;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248319;MM248319;CC(C=C(F)C(N)=O)=NO;LMQMCWBVYXGWFS-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248320;MM248320;C=C(C)C(=N)NC(N)=NN;VBCMTFXZBLJANN-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248321;MM248321;CCC(C)CC(C)=C(C)C;PVUYIPIRWUIMPB-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248322;MM248322;CC(C)=C(C)CC(C)CN;VRYOKWIIIYPTJT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248323;MM248323;CC(C)=C(C)CC(C)CF;RGCSUCHDJYQYHI-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248324;MM248324;CCC(N)CC(C)=C(C)C;PZIMDCFAPIZUGT-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248325;MM248325;CC(C)=C(C)CC(N)CO;RUERDJHXYKWCLS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248326;MM248326;CC(C)=C(C)CC(N)CF;RBIAXXHVFWUTDY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248327;MM248327;CN(C=NC=N)N=CCO;LIZGEJAWOUMIPF-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248328;MM248328;CC(C)=C(C)CC(O)CN;MPYZBHIJMIIXCX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248329;MM248329;CCC(F)CC(C)=C(C)C;KVEBJRLPEDOWJX-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248330;MM248330;CC(C)=C(C)CC(F)CN;VVCYTMUPJXUTPR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248331;MM248331;CC(C)=C(C)CC(F)CF;REOGCPLFWUWUCC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248332;MM248332;CCC(C)CC(C)=C(C)F;PCKVEBRFAZKJFJ-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248333;MM248333;CC(F)=C(C)CC(C)CN;OAMAKVRWEDNUHO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248334;MM248334;CCC(N)CC(C)=C(C)F;YFCGNROAPOXXLC-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248335;MM248335;CC(F)=C(C)CC(N)CF;FBOCIKMHRKEMEV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248336;MM248336;CCC(O)CC(C)=C(C)F;IZSRBBJXMSLHGL-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248337;MM248337;CCC(F)CC(C)=C(C)F;UXCVIORFAJFLKL-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248338;MM248338;CC(F)=C(C)CC(F)CF;YEDAGMJQAHADMT-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248339;MM248339;CCC(C)CC(C)=C(F)F;MLLYWYFGOXEJNA-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248340;MM248340;CC(CC(C)CN)=C(F)F;BXZSTCPGBSSCEA-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248341;MM248341;CN(C=NC=O)N=CCO;BPPIWQDMZARTRM-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248342;MM248342;CC(CC(N)CF)=C(F)F;YFQOYMAAAXSNKM-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248343;MM248343;CC(CC(F)CN)=C(F)F;NJNFCJBQJLNVNP-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248344;MM248344;CC(C)=C(F)CC(C)CN;AFXIPUUJMSFBJT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248345;MM248345;CC(C)=C(F)CC(C)CO;PWEVJCPJZLDTHA-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248346;MM248346;CC(C)=C(F)CC(C)CF;CGCBNTSOJSYUIK-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248347;MM248347;CCC(N)CC(F)=C(C)C;RORMQMGJJZVEIT-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248348;MM248348;CC(C)=C(F)CC(N)CN;UQHIZGZPJYSXMV-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248349;MM248349;CC(C)=C(F)CC(N)CF;GVILNXLKRFOTTB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248350;MM248350;CCC(O)CC(F)=C(C)C;PKPGDVGOYFGATI-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248351;MM248351;CCC(F)CC(F)=C(C)C;PYLPBKSJPFNHPI-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248352;MM248352;CC(C)=C(F)CC(F)CO;UKUDQGVVWCEYOD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248353;MM248353;CC(C)=C(F)CC(F)CF;DRZRQXZFWDCPOH-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248354;MM248354;CCC(N)CC(F)=C(C)F;LFLLDOSJYMIEIH-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248355;MM248355;CC(F)=C(F)CC(N)CN;WEWHJYCGFMTLEW-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248356;MM248356;CC(F)=C(F)CC(O)CO;RSYKBSQLRGUJSA-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248357;MM248357;CC(F)=C(F)CC(F)CN;JITZUBGSHQAPTH-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248358;MM248358;NC(CO)CC(F)=C(F)F;GAXAODAGPITESF-UHFFFAOYSA-N;155.12;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248359;MM248359;OCC(O)CC(F)=C(F)F;UDWAQSZTOJOIRF-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248360;MM248360;CNC(C)CC(F)=C(C)C;PKCCRJUWUHAQNE-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248361;MM248361;COC(C)CC(C)=C(C)C;AEHKJECOLYIDKZ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248362;MM248362;COC(C)CC(C)=C(C)F;GSLLYGSVPCLWIT-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248363;MM248363;COC(C)CC(C)=C(F)F;QIHCWIUIPYKXSA-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248364;MM248364;COC(C)CC(F)=C(C)C;WYAHHTJHGUKBBH-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248365;MM248365;CCC(C)OC(C)=C(C)C;RSXKHSVGPBLMIL-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248366;MM248366;CC(C)=C(C)OC(C)CO;FEJDCMCMJBVIKF-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248367;MM248367;CCC(C)OC(C)=C(C)F;WFBLFGJNIIPJNF-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248368;MM248368;CC(F)=C(C)OC(C)CO;ZADFVUAPXRUCKH-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248369;MM248369;CC(F)=C(C)OC(C)CF;KKCDRMVIFYDFEI-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248370;MM248370;CCC(C)OC(C)=C(F)F;VIWLYDBJLPKZRG-UHFFFAOYSA-N;150.17;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248371;MM248371;CC(OC(C)CO)=C(F)F;NIUJSFLMKIJZMU-UHFFFAOYSA-N;152.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248372;MM248372;CCN(C)CC(C)=C(C)C;VXZRPKMPGWUSGA-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248373;MM248373;CCN(C)CC(F)=C(F)F;PVDTXHAQEUXKRQ-UHFFFAOYSA-N;153.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248374;MM248374;C=CC(C)CC(C)=C(C)C;XJWOPFUPIBYTJA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248375;MM248375;CC(C)=C(C)CC(C)C=O;HPAFRESVLYZMMJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248376;MM248376;CC(C)=C(C)CC(C)C#N;OBPSCTBLVIBJCD-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248377;MM248377;C=CC(N)CC(C)=C(C)C;XJOCRDQAPULBLD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248378;MM248378;CC(C#N)N(C)N=CCO;QDQDWAUZMHFJMY-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248379;MM248379;CC(C)=C(C)CC(O)C#N;RFYAIIIOHHAYJD-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248380;MM248380;C=CC(F)CC(C)=C(C)C;YFNZHFIDXWBECM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248381;MM248381;CC(C)=C(C)CC(F)C=O;OTYFKRIDYRKILI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248382;MM248382;CC(C)=C(C)CC(F)C#N;WPFKGRYNTLSKQP-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248383;MM248383;C=CC(C)CC(C)=C(C)F;QLKHGWJKLVLYCT-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248384;MM248384;CC(F)=C(C)CC(C)C#N;CEIFPOSZWCYVAS-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248385;MM248385;C=CC(N)CC(C)=C(C)F;LFBPBTUTZYEOBL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248386;MM248386;C=CC(O)CC(C)=C(C)F;BIYBKLYMPBPQIZ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248387;MM248387;CC(F)=C(C)CC(O)C#N;XJZHWMPZYPTINO-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248388;MM248388;C=CC(F)CC(C)=C(C)F;YLLKJMLPMHNYDX-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248389;MM248389;CC(F)=C(C)CC(F)C=O;XHIDJPXWUGCCPS-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248390;MM248390;CC(F)=C(C)CC(F)C#N;BACWDJYNXDSMAN-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248391;MM248391;CC(CC(C)C#N)=C(F)F;IUMBFCZLHIBKRH-UHFFFAOYSA-N;145.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248392;MM248392;C=CC(N)CC(C)=C(F)F;QSSNIKHAMVIJOU-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248393;MM248393;CC(CC(O)C#N)=C(F)F;SVQBFZKXZNWKHD-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248394;MM248394;CC(C)=C(F)CC(C)C=O;AIDINHKCLYYEKJ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248395;MM248395;CC(C)=C(F)CC(C)C#N;HLFRACYWFZAZTA-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248396;MM248396;C=CC(N)CC(F)=C(C)C;CCVALBFVLRTXTG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248397;MM248397;C=CC(O)CC(F)=C(C)C;SZFMASHDKJBKQM-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248398;MM248398;CC(C)=C(F)CC(O)C#N;SSSSXWGCXFIJBF-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248399;MM248399;C=CC(F)CC(F)=C(C)C;ZZLDELJDDUMUMR-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248400;MM248400;CC(C)=C(F)CC(F)C=O;SYQCTEHSAFYZDW-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248401;MM248401;CC(C)=C(F)CC(F)C#N;POECWOJRYPJVFZ-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248402;MM248402;C=CC(N)CC(F)=C(C)F;MPYDWEYQSJHZHV-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248403;MM248403;C=CC(N)CC(F)=C(F)F;IVHWDFXAUQAMJS-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248404;MM248404;C=CC(C)OC(C)=C(C)C;GTFYMODINZXIOX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248405;MM248405;C=CC(C)OC(C)=C(C)F;BHMFQRHYABHOMF-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248406;MM248406;CC(C)=C(C)CN(C)C=N;SCGXVQBZXMUJJH-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248407;MM248407;CC(C)=C(C)CN(C)C=O;SHORMLCVZRJPRB-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248408;MM248408;CC(C)=C(C)CN(N)C=O;QNHLLIZCJLDILR-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248409;MM248409;CC(F)=C(C)CN(C)C=O;HPGCFMRGGWVIQU-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248410;MM248410;CC(CN(C)C=O)=C(F)F;NGXKVZNAXKDCDF-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248411;MM248411;CC(CN(N)C=N)=C(F)F;AFKQXQKBXDVVIM-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248412;MM248412;CC(C)=C(F)CN(C)C=N;JUDVUBUSEDPHLN-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248413;MM248413;CC(C)=C(F)CN(N)C=N;QSMKTOOLBMNXDD-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248414;MM248414;CC(F)=C(F)CN(C)C=N;WBVHARDYTYDOOX-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248415;MM248415;CN(C=N)CC(F)=C(F)F;WXEYLDLSEJHHKU-UHFFFAOYSA-N;152.12;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248416;MM248416;CN(C=O)CC(F)=C(F)F;NGGIDMAKOKKLAX-UHFFFAOYSA-N;153.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248417;MM248417;C=NN(C)CC(C)=C(C)C;FLRXLJNZMUHPPW-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248418;MM248418;C=NN(C)CC(C)=C(F)F;UALVISAQSHWXMF-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248419;MM248419;C=NN(C)CC(F)=C(C)C;SFGMTEFDPYMTTB-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248420;MM248420;C#CC(C)CC(C)=C(C)C;VJYGGEXMGBKDER-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248421;MM248421;C#CC(N)CC(C)=C(C)C;WYMBGVXYGJPMJY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248422;MM248422;C#CC(F)CC(C)=C(C)C;UZSQSAUTLUTACZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248423;MM248423;C#CC(C)CC(C)=C(C)F;WQAZNFMOYYYIQK-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248424;MM248424;C#CC(N)CC(C)=C(C)F;PQQWWYZKUFZQQX-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248425;MM248425;C#CC(O)CC(C)=C(C)F;VFDXUIWFLCCWAR-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248426;MM248426;C#CC(F)CC(C)=C(C)F;BPZQOVDGDUHUCX-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248427;MM248427;C#CC(C)CC(C)=C(F)F;IXFQZSOVTUFKNR-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248428;MM248428;C#CC(N)CC(C)=C(F)F;QOFDCDBFKUNREL-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248429;MM248429;C#CC(O)CC(C)=C(F)F;MAYBLVWZOMWFDN-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248430;MM248430;C#CC(F)CC(C)=C(F)F;JOADUEUGYPYWRP-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248431;MM248431;C#CC(C)CC(F)=C(C)C;QBLXFYWDJREDCR-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248432;MM248432;C#CC(N)CC(F)=C(C)C;DENZUMMDSZXUAH-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248433;MM248433;C#CC(O)CC(F)=C(C)C;MSBDDDBGMZYMFW-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248434;MM248434;C#CC(F)CC(F)=C(C)C;DQAOCAFJSFCBDO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248435;MM248435;C#CC(O)CC(F)=C(C)F;ZFSGMTCBFUWRTK-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248436;MM248436;C#CC(F)CC(F)=C(C)F;VXYAVTRSRGOMCP-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248437;MM248437;C#CC(C)OC(C)=C(C)C;RXZMTLZRCYCLPU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248438;MM248438;C#CC(C)OC(C)=C(C)F;XZLVLRITLMRMPX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248439;MM248439;C#CC(C)OC(C)=C(F)F;XZWLCSHAYKFPRT-UHFFFAOYSA-N;146.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248440;MM248440;C=C(CC)CC(C)=C(C)C;YERCJBGQCPJYNX-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248441;MM248441;C=C(CN)CC(C)=C(C)C;AKBFOBZXCAAVGX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248442;MM248442;C=C(CO)CC(C)=C(C)C;LXTKWKUJOBSPOI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248443;MM248443;C=C(CF)CC(C)=C(C)C;PSLCSGZWAJSODP-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248444;MM248444;CCC(=O)CC(C)=C(C)C;AFXYLENTRUSFPB-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248445;MM248445;CC(C)=C(C)CC(=O)CF;JGMYRTZMVWQNNA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248446;MM248446;C=C(CC)CC(C)=C(C)F;JKCDZUYGLQUMNT-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248447;MM248447;C=C(CN)CC(C)=C(C)F;ALEINAGIWIXVBN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248448;MM248448;C=C(CF)CC(C)=C(C)F;MAFYSTVQCVMVTO-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248449;MM248449;CC(F)=C(C)CC(=O)CF;YWDUFIBLALBRDW-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248450;MM248450;C=C(CC)CC(C)=C(F)F;HRWOWIFSEWANOD-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248451;MM248451;C=C(CN)CC(C)=C(F)F;IERPKMYBCSNJKX-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248452;MM248452;C=C(CO)CC(C)=C(F)F;OZCLDAUPSRQNSP-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248453;MM248453;CCC(=O)CC(C)=C(F)F;FJZYOBXUXMUTTF-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248454;MM248454;C=C(CC)CC(F)=C(C)C;XNUYOTICKPQPBH-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248455;MM248455;C=C(CN)CC(F)=C(C)C;CSCOIGJUUHCOTD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248456;MM248456;C=C(CF)CC(F)=C(C)C;BUOYYIIQCFMWLZ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248457;MM248457;CCC(=O)CC(F)=C(C)C;GSTJUSXEKMVBIR-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248458;MM248458;CC(C)=C(F)CC(=O)CF;ADFLKUSYURVJIO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248459;MM248459;C=C(CC)CC(F)=C(C)F;UUQLVLBHUCGYHS-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248460;MM248460;C=C(CN)CC(F)=C(C)F;ULMRONDVVNARSH-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248461;MM248461;C=C(CO)CC(F)=C(C)F;JAOUKWVKSJCXFS-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248462;MM248462;CC(F)=C(F)CC(=O)CF;VDHAVDFMMKWFJP-UHFFFAOYSA-N;152.12;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248463;MM248463;C=C(CC)CC(F)=C(F)F;GGKKGJPVQJLOOH-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248464;MM248464;C=C(CN)CC(F)=C(F)F;AWYBAPVEYNRZGP-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248465;MM248465;C=C(CO)CC(F)=C(F)F;QJRUTMCLVFFWEC-UHFFFAOYSA-N;152.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248466;MM248466;C=C(CF)CC(F)=C(F)F;GTSLALUYRBZPQH-UHFFFAOYSA-N;154.11;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248467;MM248467;CCC(=O)CC(F)=C(F)F;VHOXFQZJGNQPIE-UHFFFAOYSA-N;152.12;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248468;MM248468;CNC(=N)CC(C)=C(C)C;PUEVLSZRBKDKBV-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248469;MM248469;CC(C)=C(C)CC(=N)NN;CJDCFDPSKIATLF-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248470;MM248470;CC(C)=C(C)CC(=N)NO;LLRLVWOWOUWLFJ-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248471;MM248471;CCC(=O)N(C)N=CCO;YUTVJRDIPZTPBQ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248472;MM248472;CC(F)=C(C)CC(=N)NO;HZTDPIDSIHXDND-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248473;MM248473;CC(CC(=N)NN)=C(F)F;OJQMXRJKEPCFQU-UHFFFAOYSA-N;149.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248474;MM248474;CC(CC(=N)NO)=C(F)F;XGOARXRHVPSTFV-UHFFFAOYSA-N;150.13;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248475;MM248475;CNC(=N)CC(F)=C(C)C;PBVNIIZPNGTOKG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248476;MM248476;CC(C)=C(F)CC(=N)NN;PNLSATPRPYLDBQ-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248477;MM248477;CC(C)=C(F)CC(=N)NO;FMCIDMFWXKCXLJ-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248478;MM248478;CNC(=O)CC(F)=C(C)C;KCFXTXHEOHNSFP-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248479;MM248479;CNC(=N)CC(F)=C(C)F;KFGCVFUVHCMLLB-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248480;MM248480;CC(F)=C(F)CC(=N)NN;NVLVXVIMLJXXHB-UHFFFAOYSA-N;149.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248481;MM248481;CNC(=O)CC(F)=C(C)F;SBNDVZLOJQUJRN-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248482;MM248482;CC(F)=C(F)CC(=O)NN;CCQJTMPTRBXQIP-UHFFFAOYSA-N;150.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248483;MM248483;CNC(=O)CC(F)=C(F)F;DZNHMUXYXFLPTN-UHFFFAOYSA-N;153.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248484;MM248484;C=C(CC(C)=C(C)C)OC;VGLHCZLWYOADIQ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248485;MM248485;COC(=O)CC(C)=C(C)C;WCHOGCQQXQGAJQ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248486;MM248486;C=C(CC(C)=C(C)F)OC;RQKGIYUWPLDWHJ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248487;MM248487;COC(=O)CC(C)=C(C)F;RXSGGJPJHWPRIS-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248488;MM248488;COC(=O)CC(C)=C(F)F;ZWKKPUTZVHAWON-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248489;MM248489;C=C(CC(F)=C(C)C)OC;VPBQICXIFBPWFB-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248490;MM248490;COC(=O)CC(F)=C(C)C;ODKHNKHFHXRFER-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248491;MM248491;C=C(CC(F)=C(C)F)OC;MQABLDXLDXATFC-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248492;MM248492;C=C(CC(F)=C(F)F)OC;XKLXLFHFLZBHEJ-UHFFFAOYSA-N;152.12;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248493;MM248493;CCC(=N)NC(C)=C(C)C;CAFGMVUAYZESRM-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248494;MM248494;CCC(=O)NC(C)=C(C)C;VTSKQENQJGOQDP-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248495;MM248495;CC(C)=C(C)NC(=O)CF;DOWSOHCQPXBDTP-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248496;MM248496;CCC(=O)NC(C)=C(C)F;QKWUXERJBFFVFT-UHFFFAOYSA-N;145.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248497;MM248497;CC(F)=C(C)NC(=O)CF;PACYSAZDZFSXCU-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248498;MM248498;CCC(=N)NC(C)=C(F)F;OUJOZLMKXJECNQ-UHFFFAOYSA-N;148.16;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248499;MM248499;CC(C)=C(C)NC(=N)NO;KAAGBMMSPLRSHB-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248500;MM248500;CNC(=O)NC(C)=C(C)F;WUDQIYVRRGNSGW-UHFFFAOYSA-N;146.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248501;MM248501;CC(F)=C(C)NC(=O)NO;YCNWGIPOFODOHC-UHFFFAOYSA-N;148.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248502;MM248502;CC(NC(=N)NN)=C(F)F;ODXYKUIBUDWKEI-UHFFFAOYSA-N;150.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248503;MM248503;COC(=N)N(C)N=CCO;JGVVHLIGUJWBTJ-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248504;MM248504;COC(=O)NC(C)=C(F)F;AMJWHBUTJKMJMC-UHFFFAOYSA-N;151.11;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248505;MM248505;C=C(CC)OC(C)=C(C)C;NRVPXUGXNGVMIJ-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248506;MM248506;C=C(CO)OC(C)=C(C)C;WMZTYZCPQQDKHJ-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248507;MM248507;CCC(=O)OC(C)=C(C)C;GVFMAJQBVOPUKQ-UHFFFAOYSA-N;142.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248508;MM248508;CC(C)=C(C)OC(=O)CF;CFHDXQWCYIQUNH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248509;MM248509;C=C(CC)OC(C)=C(C)F;XNKDFEXCLJXOCF-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248510;MM248510;C=C(CO)OC(C)=C(C)F;ITBITRGUIPOAMG-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248511;MM248511;CCC(=O)OC(C)=C(C)F;BMCDWHCSKHOJJJ-UHFFFAOYSA-N;146.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248512;MM248512;CC(F)=C(C)OC(=O)CO;QVVLOOXKYCYPQV-UHFFFAOYSA-N;148.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248513;MM248513;CC(F)=C(C)OC(=O)CF;XMTUQLQGOOHARY-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248514;MM248514;C=C(CC)OC(C)=C(F)F;QMRKFBXMHHKWFL-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248515;MM248515;C=C(CO)OC(C)=C(F)F;JWCYOOXDSTUUSJ-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248516;MM248516;CCC(=O)OC(C)=C(F)F;PIEZNPICOADARK-UHFFFAOYSA-N;150.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248517;MM248517;CC(OC(=O)CO)=C(F)F;NJESRWQOHMWJQL-UHFFFAOYSA-N;152.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248518;MM248518;CC(OC(=O)CF)=C(F)F;GCWPTAJWBDUTBJ-UHFFFAOYSA-N;154.09;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248519;MM248519;COC(=O)OC(C)=C(F)F;PTDFQZJDNRAPKB-UHFFFAOYSA-N;152.1;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248520;MM248520;C=CC(=C)CC(C)=C(C)C;QIAGERSCSDPFPK-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248521;MM248521;C=C(C=O)CC(C)=C(C)C;SVWPQIDDWBZQRB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248522;MM248522;C=C(C#N)CC(C)=C(C)C;WZTYJQBGLRDAQE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248523;MM248523;C=CC(=O)CC(C)=C(C)C;XYMJPRHNPSVDNH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248524;MM248524;CC(C)=C(C)CC(=O)C=O;HXWWVHCZIJZJEP-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248525;MM248525;C=CC(=C)CC(C)=C(C)F;GTTJWIDSYIBBPH-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248526;MM248526;C=C(C=O)CC(C)=C(C)F;YVRGSYMCTZCWJO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248527;MM248527;C=C(C#N)CC(C)=C(C)F;IZKREVYNNOOGDZ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248528;MM248528;CC(F)=C(C)CC(=O)C#N;VOGBWNJCMQIRIV-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248529;MM248529;C=C(C=O)CC(C)=C(F)F;KWJCUJODSLCFRV-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248530;MM248530;CC(CC(=O)C=O)=C(F)F;RBKOEAMSZODKIY-UHFFFAOYSA-N;148.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248531;MM248531;CC(CC(=O)C#N)=C(F)F;DPFUBUJPFFUFFX-UHFFFAOYSA-N;145.11;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248532;MM248532;C=C(C=O)CC(F)=C(C)C;KEGVQAKOGFSWGJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248533;MM248533;C=C(C#N)CC(F)=C(C)C;OEFGAYDPKJOCBK-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248534;MM248534;CC(C)=C(F)CC(=O)C#N;KNURIZLYECGMMW-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248535;MM248535;C=C(C=O)CC(F)=C(C)F;KBMLIMYPIIBRGQ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248536;MM248536;C=CC(=O)CC(F)=C(C)F;SYHMFLJURVNAIB-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248537;MM248537;CC(F)=C(F)CC(=O)C=O;QWDAOQKUBIHRJP-UHFFFAOYSA-N;148.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248538;MM248538;C=C(C=O)CC(F)=C(F)F;MJVBNKHASDKAFC-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248539;MM248539;C=C(C#N)CC(F)=C(F)F;GZFWVGCKAWASJV-UHFFFAOYSA-N;147.1;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248540;MM248540;C=CC(=N)NC(C)=C(C)C;LJWOLNJPVDDSDT-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248541;MM248541;CC(C)=C(C)NC(=O)C#N;WMIGOSYIOYNSEC-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248542;MM248542;C=CC(=N)NC(C)=C(C)F;GUHRUCSXEKLMMY-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248543;MM248543;C=CC(=O)NC(C)=C(C)F;IWQZGMYVUNARMJ-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248544;MM248544;CC(F)=C(C)NC(=O)C#N;GIWRPCFVZVZHGF-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248545;MM248545;COC(=O)N(C)N=CCO;LVXKOEZGTUWHFH-UHFFFAOYSA-N;146.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248546;MM248546;C=CC(=C)OC(C)=C(C)C;PXBMSFZNNOGCRU-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248547;MM248547;C=C(C=O)OC(C)=C(C)C;BGENBARCOARLGF-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248548;MM248548;C=C(C#N)OC(C)=C(C)C;RHYQZPAUUFAMTD-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248549;MM248549;C=CC(=O)OC(C)=C(C)C;FSSHYFQNFSZAMW-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248550;MM248550;CC(C)=C(C)OC(=O)C=O;PACNGXNWWXLCSY-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248551;MM248551;C=C(C#N)OC(C)=C(C)F;YGWICNFLNZBTNQ-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248552;MM248552;C=CC(=O)OC(C)=C(C)F;TXNJWOWQLDQMDF-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248553;MM248553;CC(F)=C(C)OC(=O)C#N;OYEZOYHANRGUKJ-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248554;MM248554;C=C(C#N)OC(C)=C(F)F;SQBCIWPXQPAUKI-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248555;MM248555;C=CC(=O)OC(C)=C(F)F;SNFWCVDVJVLSOE-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248556;MM248556;CC(OC(=O)C=O)=C(F)F;KRQSRDMTLCQMEU-UHFFFAOYSA-N;150.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248557;MM248557;CC(OC(=O)C#N)=C(F)F;LXYUFCVLWFBRDS-UHFFFAOYSA-N;147.08;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248558;MM248558;C#CC(=C)CC(C)=C(C)C;GAYCKVHGUSKKLP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248559;MM248559;C#CC(=O)CC(C)=C(C)C;VEYRBVCYXGVUJU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248560;MM248560;C#CC(=C)CC(C)=C(C)F;YWZBQXJLQUXVRI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248561;MM248561;C#CC(=O)CC(C)=C(C)F;SFNLVCOOPXAHFF-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248562;MM248562;C#CC(=C)CC(C)=C(F)F;OLWWRXVVGZDOSF-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248563;MM248563;C#CC(=O)CC(C)=C(F)F;UFYFBEXJFRKFFR-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248564;MM248564;C#CC(=C)CC(F)=C(C)C;ACRBFYQCAPWUTP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248565;MM248565;C#CC(=O)CC(F)=C(C)C;OVHWHGHTXCPHLV-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248566;MM248566;C#CC(=C)CC(F)=C(C)F;MVISQIMMBJFIBS-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248567;MM248567;C#CC(=O)CC(F)=C(C)F;BVMBJSMWIVGTOB-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248568;MM248568;C#CC(=C)CC(F)=C(F)F;NNTUIVJYFOTRLX-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248569;MM248569;C#CC(=O)NC(C)=C(C)F;IMBARVNGEZELNL-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248570;MM248570;CN(N=CCO)C(=N)C=O;GQCBDXHJTLZTQM-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248571;MM248571;C#CC(=O)NC(C)=C(F)F;WCGFAPYOWTXJQH-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248572;MM248572;C#CC(=C)OC(C)=C(C)C;PVTDEUBYDPSFFN-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248573;MM248573;C#CC(=O)OC(C)=C(C)C;FHJCXIAPRDOHMN-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248574;MM248574;C#CC(=C)OC(C)=C(C)F;WXXANWXZHKZTRS-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248575;MM248575;C#CC(=O)OC(C)=C(C)F;IUIVLTIZLGMANB-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248576;MM248576;CC=C(C)CC(C)=C(C)C;DKKKVADUVJGRBZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248577;MM248577;CC(=CF)CC(C)=C(C)C;MCAAUTRMMZQSAG-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248578;MM248578;CC=C(F)CC(C)=C(C)C;KNVNJBAHWOXXML-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248579;MM248579;CC(C)=C(C)CC(F)=CF;ZNYWGTGIMWLKAQ-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248580;MM248580;CC=C(C)CC(C)=C(C)F;ZTUARSQXAMDRKC-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248581;MM248581;CC(=CF)CC(C)=C(C)F;OBYKBRMXYLHBJF-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248582;MM248582;CC=C(F)CC(C)=C(C)F;RDJPNUANPBWPKW-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248583;MM248583;CC(F)=C(C)CC(F)=CF;RWYWIQHTDHXYRT-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248584;MM248584;CC=C(C)CC(F)=C(C)C;KWIIHVVXSHATSV-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248585;MM248585;CC=C(F)CC(F)=C(C)C;FMDOEZMELHNGQV-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248586;MM248586;CC(C)=C(F)CC(F)=CF;GQKCXGWFKOBZKI-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248587;MM248587;CC=C(C)CC(F)=C(C)F;BRKJHURHEFKNRN-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248588;MM248588;CC=C(C)CC(F)=C(F)F;AZLYCWQBVRBDEI-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248589;MM248589;CC(=CF)CC(F)=C(F)F;OSMIRGFOVHORRY-UHFFFAOYSA-N;154.11;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248590;MM248590;CC(CC(C)=C(C)C)=NN;XJDKEJQOZCEBNW-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248591;MM248591;CC(CC(C)=C(C)C)=NO;QZGCZKDMRLFIDI-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248592;MM248592;CC(CC(C)=C(C)F)=NN;KZTKAUXYVYPCSD-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248593;MM248593;CC(CC(C)=C(C)F)=NO;AOBXHKKVLXXTTI-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248594;MM248594;CC(CC(C)=C(F)F)=NO;SPNDMHDPXWEDTE-UHFFFAOYSA-N;149.14;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248595;MM248595;C=CC(=O)N(C)N=CCO;FCTXALSZPYMTCZ-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248596;MM248596;CC(CC(F)=C(C)C)=NO;CHXVRFLAJMWOQF-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248597;MM248597;CN(N=CCO)C(=O)C#N;CEUSRAAMPCAHFV-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248598;MM248598;CN=C(C)NC(C)=C(C)C;WTXLVNMMQYXJDZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248599;MM248599;CC(=NC(C)=C(C)C)NN;VAJQGWPXSVNLHQ-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248600;MM248600;CC(=NC(C)=C(C)C)NO;HKKXFFDANNIOEW-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248601;MM248601;CN=C(C)NC(C)=C(C)F;USUZYTYSMGAPRW-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248602;MM248602;C#CC(=O)N(C)N=CCO;DWYCHZWBKAVIRP-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248603;MM248603;CC(=NO)NC(C)=C(F)F;HIXCNTCFJMBXGV-UHFFFAOYSA-N;150.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248604;MM248604;CC=C(C)OC(C)=C(C)C;KDAFGBVPJPQQCB-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248605;MM248605;CC(=CF)OC(C)=C(C)C;RFFBLJVEPWCYDB-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248606;MM248606;CC=C(C)OC(C)=C(C)F;NRWUWJYAKMNFPX-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248607;MM248607;CC=C(C)OC(C)=C(F)F;IVAUKCWQKCIFCV-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248608;MM248608;CC=NN=C(C)C(=N)NO;ADXYJHOMSSQISD-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248609;MM248609;CC(=NO)OC(C)=C(C)C;PVMSFOLANLJZGO-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248610;MM248610;C=C(CO)CNN=CNO;OWJFBKJFQAAUMI-UHFFFAOYSA-N;145.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248611;MM248611;CC(=NO)OC(C)=C(C)F;GNZZEURHOMHMJB-UHFFFAOYSA-N;147.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248612;MM248612;N#CC(F)=CNN=CCO;TWEONUKWLLOWPT-UHFFFAOYSA-N;143.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248613;MM248613;CCC(C)=CC(C)=C(C)C;JMAHAOJOCXKADT-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248614;MM248614;CC(=CC(C)=C(C)C)CN;FOYQEEITIQMJHT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248615;MM248615;CC(=CC(C)=C(C)C)CO;FJHCABWFZRWTLF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248616;MM248616;CCC(C)=CC(C)=C(C)F;SGMRCZKOPJDVKN-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248617;MM248617;CC(=CC(C)=C(C)F)CN;PBNVIFABGAIPTJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248618;MM248618;CC(=CC(C)=C(C)F)CF;CEWWMPQSVAWCNY-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248619;MM248619;CCC(F)=CC(C)=C(C)F;JYBQWIFXZBEHGV-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248620;MM248620;CC(F)=C(C)C=C(F)CF;AQAYBPQWOYFVDP-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248621;MM248621;CCC(C)=CC(C)=C(F)F;TZHCLVNIPIKXPI-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248622;MM248622;CC(=CC(C)=C(F)F)CN;HPAXEYPXIIWYDO-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248623;MM248623;CC(=CC(C)=C(F)F)CF;VTTIVFSBTKUPIB-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248624;MM248624;CCC(C)=CC(F)=C(C)C;YHGWJAKKUGCOKR-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248625;MM248625;CC(=CC(F)=C(C)C)CN;YUSOVSKQFYMKOW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248626;MM248626;CC(=CC(F)=C(C)C)CF;XHLUOMDPRJQYSF-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248627;MM248627;CCC(F)=CC(F)=C(C)C;BUVPGNAGHFNLCX-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248628;MM248628;CC(=CC(F)=C(C)F)CN;MBTBNPYAVDRKIM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248629;MM248629;CCC(C)=CC(F)=C(F)F;FMCHGCRRJUWZML-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248630;MM248630;COC(C)=CC(C)=C(C)F;VACCYUAQYMPAED-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248631;MM248631;COC(C)=CC(F)=C(C)C;VWFZXXRXGNONAI-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248632;MM248632;COC(C)=CC(F)=C(F)F;RVEFQIPUCXKMRP-UHFFFAOYSA-N;152.12;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248633;MM248633;C=CC(C)=CC(C)=C(C)C;NPSFNFXRDITSLX-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248634;MM248634;CC(C=O)=CC(C)=C(C)C;SJFLTNNRABNDBJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248635;MM248635;CC(C#N)=CC(C)=C(C)C;UUCZSPHZAFZGOK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248636;MM248636;CC(C)=C(C)C=C(F)C=O;XVUBYXBWBFPJFR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248637;MM248637;C=CC(C)=CC(C)=C(C)F;VFWGYTHEXLPCEF-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248638;MM248638;CC(C#N)=CC(C)=C(C)F;XQNWJAJMXGBVRD-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248639;MM248639;C=CC(F)=CC(C)=C(C)F;RRBLLDUWEWOQTP-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248640;MM248640;CC(C=O)=CC(C)=C(F)F;BARCQEOUGBYTBG-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248641;MM248641;CC(C#N)=CC(C)=C(F)F;OSJBALAUARYJIN-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248642;MM248642;C=CC(F)=CC(C)=C(F)F;OKUXHVDRDKIEDI-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248643;MM248643;CC(C=O)=CC(F)=C(C)C;GRPSZISHLOSRHW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248644;MM248644;C=CC(F)=CC(F)=C(C)F;RCPCXPUNGBGYDP-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248645;MM248645;C#CC(C)=CC(C)=C(C)C;XCQPKUOTCWJYBJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248646;MM248646;C#CC(C)=CC(C)=C(C)F;UXYVCCQXTKNNQX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248647;MM248647;C#CC(F)=CC(C)=C(C)F;ZLVPCDHKCZQSIA-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248648;MM248648;C#CC(C)=CC(C)=C(F)F;ZEMHBHKNPFAXGR-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248649;MM248649;CC1(C)C(O)C(=O)C1CO;VSPGMMXTSJHQGW-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248650;MM248650;CCC1C(=O)C(F)C1(C)C;WYKRRNOCVRDUOY-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248651;MM248651;COC1C(=O)C(O)C1(C)C;ULRRTUMACQKWSX-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248652;MM248652;CNN1C(=O)C(C)C1(C)C;PSGCGGPAUFAZAL-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248653;MM248653;CON1C(=O)C(C)C1(C)C;LMHCRIYAHTZBTI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248654;MM248654;CCC(CC(=O)O)C(N)=O;WLWYZNAUPQRGIH-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248655;MM248655;C=CN1C(=O)C(C)C1(C)C;RIVRVVIFHCUZAI-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248656;MM248656;CC1C(=O)N(C=N)C1(C)C;UKCINRMVHOFJLF-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248657;MM248657;C=NN1C(=O)C(C)C1(C)C;KTZVCPIYVYQXEZ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248658;MM248658;CCCC1CC(C)(C)C1C;CUHZDOVSFJBPIN-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248659;MM248659;CC1C(CCN)CC1(C)N;JXRPFVKGLXWVJP-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248660;MM248660;CCCC1CC(C)(N)C1N;JPGROARNHLVFKG-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248661;MM248661;CCCC1CC(C)(F)C1C;ZOMTWZZXCWWXEZ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248662;MM248662;CCCC1CC(C)(F)C1N;TVQFZEZUDCEQDP-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248663;MM248663;CCCC1CC(C)(C)N1C;XVWALRSFSYPTBP-UHFFFAOYSA-N;141.26;2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248664;MM248664;C=CCC1CC(C)(C)C1C;HEUDPOVYBFZIBN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248665;MM248665;CC1C(CC#N)CC1(C)C;DMMRCZVTQFBPCH-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248666;MM248666;C=CCC1CC(C)(N)C1C;KUQPHUOZIVXLRG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248667;MM248667;C=CCC1CC(C)(N)C1N;IKFUOTSDROHSOD-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248668;MM248668;C=CCC1CC(C)(O)C1N;OAAICUSYAQBXKY-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248669;MM248669;C=CCC1CC(C)(F)C1C;HOQTVBPNVUZOFJ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248670;MM248670;CC1C(NC=N)CC1(C)O;LQZMHRUUWPMJSN-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248671;MM248671;C=CCC1NC(C)(C)C1N;QTUXFYWSZUNUDT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248672;MM248672;CC1C(CC#N)OC1(C)C;LQJWRXDYTYFMMQ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248673;MM248673;C=CCC1CC(C)(C)N1C;NZCDOXMPORZJEN-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248674;MM248674;C#CCC1CC(C)(C)C1N;FJYVQXGCMYVREU-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248675;MM248675;C#CCC1CC(C)(N)C1C;RQOXJMXQNWCCNP-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248676;MM248676;COCC(=NN)C(=N)NO;XCXDEDCPPXKYLW-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248677;MM248677;C#CCC1CC(C)(F)C1C;ZXQKGYKOLVYGFW-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248678;MM248678;C#CCC1NC(C)(C)C1N;DWEGJEUBBXGQJE-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248679;MM248679;C#CCN1CC(C)(N)C1C;HVCTWVGTGVYCPO-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248680;MM248680;C#CCN1CC(C)(F)C1C;LQLOBKNOARLOTO-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248681;MM248681;CC=CN1CC(C)(O)C1=O;LISCUIHJTOYHIM-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248682;MM248682;CC=CN1CC(C)(F)C1=O;JFRKCTPLMDTZQA-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248683;MM248683;CC#CC1CC(C)(C)C1C;MDNZZNPGHIZYIX-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248684;MM248684;CC#CC1CC(C)(C)C1N;SUCVTLCEBOOHRW-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248685;MM248685;CC#CC1CC(C)(N)C1C;HOIHSXSDOPFXDQ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248686;MM248686;CC#CC1CC(C)(N)C1N;GBIOJWKNFYRVSQ-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248687;MM248687;C=C(CF)C(=NNC)NO;IHIFKMBZTUOUHQ-UHFFFAOYSA-N;147.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248688;MM248688;CC#CC1CC(C)(O)C1N;FQEHPBUBUMEWEV-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248689;MM248689;CC#CC1NC(C)(C)C1C;MSGGWDQYAPXTIE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248690;MM248690;CC#CC1NC(C)(C)C1N;AKNKBLSMXXTBSI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248691;MM248691;CC#CC1OC(C)(C)C1C;KIUCQECITLKIAE-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248692;MM248692;CC#CC1CC(C)(C)C1=O;NFLUFZTZEMWPNQ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248693;MM248693;CC#CC1CC(C)(O)C1=O;IMZFOVHWFAPBSM-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248694;MM248694;CCCC(C)C1CC1(C)C;XXJGVTFBWVRFMA-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248695;MM248695;N=C(NO)C(C=NN)=NN;OTBUJDGPHRVAPA-UHFFFAOYSA-N;144.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248696;MM248696;CCCC(C)C1CC1(C)N;BGXZFIMMHRDILP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248697;MM248697;CC(CCN)C1CC1(C)F;PBEMQUACHDWJDP-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248698;MM248698;CCCC(N)C1NC1(C)C;ZIIZLLTZNGPKJS-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248699;MM248699;CCCC(N)C1OC1(C)C;LJUVYMCURMIMQH-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248700;MM248700;C=CCC(C)C1CC1(C)C;FKCOBLYNYNDKQV-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248701;MM248701;CC(CC#N)C1CC1(C)C;WLAPHVFFSBHXHY-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248702;MM248702;C=CCC(C)C1CC1(C)N;QWIAYJMBENVTIV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248703;MM248703;CNN=C(NO)C(C)=CF;PJDJGOGZQKPASL-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248704;MM248704;C=CCC(N)C1CC1(C)O;RFIWBNDGJILEQQ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248705;MM248705;C#CCC(C)C1CC1(C)C;JUAZSJVAFOKOGI-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248706;MM248706;C#CCC(N)C1CC1(C)O;SHBKGMDMFRARKB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248707;MM248707;C=C(CCC)C1CC1(C)C;YZUAMVQAHIYOKI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248708;MM248708;C=C(CCN)C1CC1(C)C;KYBLCQLFZXBZJX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248709;MM248709;CCCC(=O)C1CC1(C)C;DEXFTOZMPWWWDE-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248710;MM248710;CC=CN=C(C=NN)NO;CYSARKXVCQXSSF-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248711;MM248711;CCNC(=N)C1CC1(F)F;AHTQQYQOUYMKLB-UHFFFAOYSA-N;148.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248712;MM248712;C=CCC(=C)C1CC1(C)C;BHWSBOCTURCTEL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248713;MM248713;C=CCC(=C)C1CC1(C)N;IJIXRPQHJSBSAS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248714;MM248714;CCCN(C=N)N=CCO;XUNZPUHOKCXZFI-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248715;MM248715;C=CCC(=O)C1CC1(C)O;NVXYPSHPINWAOW-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248716;MM248716;C=C(CC#N)C1CC1(C)F;XBDSPJUDJJATJA-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248717;MM248717;C=CCC(=O)C1CC1(C)F;LAAWEBSFGNQJSB-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248718;MM248718;C=CNC(=N)C1CC1(C)N;IGNLVYBHYXTAAA-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248719;MM248719;CC1(N)CC1C(=N)NC=N;JWRWGJFJXUDVKV-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248720;MM248720;C=CNC(=O)C1CC1(C)N;LBRRWOQWUYOXNG-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248721;MM248721;C=CNC(=O)C1CC1(C)O;REZQUBPLHDLLMI-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248722;MM248722;O=CN(CCF)N=CCO;JDFIPCNMEIHOND-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248723;MM248723;N#CCN(C=O)N=CCO;JWTVBMDOZHESGW-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248724;MM248724;C=CCC(=O)C1OC1(C)C;WIZZQIXJVPSOHX-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248725;MM248725;CC1(C)OC1C(=O)CC#N;RJPSQSWQCJZDJI-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248726;MM248726;CC1(C)CN1C(=N)NC=N;OFCMJPFXBJBPGN-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248727;MM248727;C#CCC(=C)C1CC1(C)C;MWSUUGPXHNUJHY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248728;MM248728;C#CCC(=C)C1CC1(C)N;JFVIGSOYURCILA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248729;MM248729;C#CCC(=O)C1OC1(C)C;WCNWORGDFDGXQN-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248730;MM248730;C#CCC(=N)N1CC1(C)C;ZVTHYCDRMPQLRS-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248731;MM248731;C#CCC(=O)N1CC1(C)C;QBBZRAPUVJDFGL-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248732;MM248732;CC=CC(C)C1CC1(C)C;ORWFNNCFBNNDHN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248733;MM248733;CC=CC(C)C1CC1(C)N;XSSBXEVEEQMFRB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248734;MM248734;CC=CC(N)C1CC1(C)F;WCDOKMTXFZAVSH-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248735;MM248735;CC=CC(=O)C1CC1(C)C;FWYJGSHJJZVANY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248736;MM248736;C=C(C=CC)C1CC1(C)N;RHXIXCATPPTSLS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248737;MM248737;CC1(O)CC1C(=O)C=CN;STFMHXRZOCJSIF-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248738;MM248738;C=C(C=CC)C1CC1(F)F;BWKUWXKBTZVWRF-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248739;MM248739;CC1(C)CN1C(=N)C=CN;GYUGHZABIJBOMC-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248740;MM248740;CC#CC(C)C1CC1(C)C;DDNXIGIDHRCOKM-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248741;MM248741;CC#CC(N)C1CC1(C)C;GYXMXMHMYNOENB-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248742;MM248742;C#CCN(C=N)N=CCO;PRMBHOOPEVUYKH-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248743;MM248743;CC#CC(N)C1CC1(C)O;OYAUFAVMLGFLJA-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248744;MM248744;CC#CC(C)C1CC1(C)F;SORBBVOKRCUJCF-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248745;MM248745;CC#CC(N)C1CC1(C)F;XTRJHQNPWNBJFV-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248746;MM248746;CC#CC(O)C1CC1(C)F;QYWPGZRTTFEJDU-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248747;MM248747;CC#CC(C)C1CC1(F)F;KGPMWNMLHRNWJU-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248748;MM248748;CC#CC(N)C1CC1(F)F;VJNVBCGPCKCFKU-UHFFFAOYSA-N;145.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248749;MM248749;C=C(C#CC)C1CC1(C)C;IRACYNJIWYWOQL-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248750;MM248750;CC#CC(=O)C1CC1(C)C;WVSHAQIMNYSEGB-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248751;MM248751;C=C(C#CC)C1CC1(C)N;ZCSMCIBHPZQJBA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248752;MM248752;CON=CC(=CCO)CO;FHWFFJDUEMRVCD-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248753;MM248753;CC#CC(=O)C1CC1(C)O;UNMIVEZKHJQXQD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248754;MM248754;C=C(C#CC)C1CC1(C)F;DRKBWXRFUTVQDZ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248755;MM248755;C=C(C#CC)C1CC1(F)F;RLIDZKGTFCXWHM-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248756;MM248756;C=C(C#CC)C1NC1(C)C;DACATYXSTBJRSY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248757;MM248757;CN(C)C(CO)C(=O)C=O;AAKNOCNQHPKGCM-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248758;MM248758;C=C(C#CC)C1OC1(C)C;LKWDDBGEQQKGJK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248759;MM248759;CC#CC(=O)C1OC1(C)C;RCMDEGRNHADOLF-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248760;MM248760;CC#CC(=N)N1CC1(C)C;XSXUBONEMXWVFI-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248761;MM248761;CC#CC(=O)N1CC1(C)C;DPFHYWRGPXRZFQ-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248762;MM248762;CCCC1CCC(C)(C)C1;IUTCJGPCHMJSQL-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248763;MM248763;CCCC1CCC(C)(N)C1;VYASICNTTQZMCK-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248764;MM248764;CNC(=O)N(C=N)C(C)=N;LMEZKXPBFJTNLQ-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248765;MM248765;CCCC1CCC(C)(F)C1;XOACXMCXBXVOHS-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248766;MM248766;CCCC1CC(C)(C)CN1;QAGIWWBKEAXVHO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248767;MM248767;CCCC1CC(C)(N)CN1;QGKFRPWPJLZBHZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248768;MM248768;CCCC1CC(C)(O)CN1;JUTGPGNIBZLWFY-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248769;MM248769;CCCC1CC(C)(F)CN1;QZLXZOFHKWTXEF-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248770;MM248770;CCCC1CC(C)(N)CO1;LOCWYTMMIJLYAB-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248771;MM248771;CCCC1CC(C)(F)CO1;KZXVEMOBVOVPEB-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248772;MM248772;CCCC1CNC(C)(C)C1;XZRJUXYIYQVLTO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248773;MM248773;CC1(C)CC(CCN)CN1;RPQGIPMXASQCKP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248774;MM248774;CCCC1CCC(C)(C)N1;WVGPIJSYBWIFAC-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248775;MM248775;CC1(C)CCC(CC#N)C1;RWFNIUQFHAKJOA-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248776;MM248776;C=CCC1CCC(C)(N)C1;OCZGLNSVJGWWLP-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248777;MM248777;CC(F)C(=NN)C(=N)NO;TYTNYSCSAWLQNH-UHFFFAOYSA-N;148.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248778;MM248778;N#CCC1CCC(F)(F)C1;NWTHVXPAXKKBCJ-UHFFFAOYSA-N;145.15;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248779;MM248779;C=CCC1CC(C)(C)CN1;FTTQSPSEAMXIEG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248780;MM248780;CC1(C)CNC(CC#N)C1;PKNWVCXNSJVYNX-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248781;MM248781;N#CCC1CC(F)(F)CN1;HVMJICJNFYBAEP-UHFFFAOYSA-N;146.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248782;MM248782;C=CCC1CNC(C)(C)C1;UDWDRAVAKKNEQG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248783;MM248783;CC1(C)CC(CC#N)CN1;IACYRTHMHYFWAX-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248784;MM248784;CC1(C)CC(NC=N)CN1;WEYDUXNLYGSIED-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248785;MM248785;CC1(C)CC(CC#N)CO1;QPZMTEXPHLFGBA-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248786;MM248786;C=COC1COC(C)(C)C1;IBTLYFDELPTVEP-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248787;MM248787;CC1(C)CCC(CC#N)N1;KWCSVPCQXCMOSW-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248788;MM248788;C=CCN1CCC(C)(C)C1;PUDFMXQCSJAAHL-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248789;MM248789;CC1(F)CCN(CC#N)C1;GCCMMIPKBLSULS-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248790;MM248790;C#CCC1CCC(C)(N)C1;JJNRZPRPRGROKV-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248791;MM248791;C#CCC1CCC(C)(F)C1;FILPZNWOCKPURH-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248792;MM248792;C#CCC1CCC(F)(F)C1;REBAPMYGPHUENP-UHFFFAOYSA-N;144.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248793;MM248793;C#CCC1CC(C)(C)CN1;KSPLYTJEMNVBTN-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248794;MM248794;C#CCC1CC(C)(O)CN1;QMGFDJDJBGGSBX-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248795;MM248795;C#CCC1CC(C)(F)CN1;QZZBCZVZWMWARB-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248796;MM248796;C#CCC1CC(C)(C)CO1;REYGYQTYCMYIHW-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248797;MM248797;C#CCC1CC(C)(N)CO1;UZWSVQLPYPZESH-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248798;MM248798;C#CCC1CC(C)(F)CO1;MGCATEZZDVYVGV-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248799;MM248799;C#CCC1CC(F)(F)CO1;FTURMJFWVBTCRH-UHFFFAOYSA-N;146.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248800;MM248800;C#CCC1CNC(C)(C)C1;DTMPGTMHVBNZGN-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248801;MM248801;C#CCN1CCC(C)(C)C1;OKDJNJPPTSSTMK-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248802;MM248802;C#CCN1CCC(C)(N)C1;AHDXEOZFWNNNIZ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248803;MM248803;C#CCN1CCC(F)(F)C1;ZKMTWLUIEJLVMN-UHFFFAOYSA-N;145.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248804;MM248804;CC=CC1CCC(C)(C)C1;CWNDEPJRBZBYKR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248805;MM248805;CC=CC1CCC(C)(F)C1;OLOOYKNIFSISMH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248806;MM248806;CC=CC1CC(C)(F)CN1;IVDGKVFNDAGVHO-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248807;MM248807;CC=CC1CNC(C)(C)C1;OMNHIIHASWIESU-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248808;MM248808;CC=CC1CCC(C)(C)N1;SXSYXKUKKKUWLE-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248809;MM248809;CC#CC1CCC(C)(C)C1;NGSZFGIAYKBYJM-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248810;MM248810;CC#CC1CCC(C)(N)C1;LVYQZCGXCXKAEW-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248811;MM248811;CC#CC1CCC(C)(F)C1;BTXWHPKXLDXOQL-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248812;MM248812;CC#CC1CC(C)(C)CO1;FAGASQPMSORQDE-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248813;MM248813;CC#CC1CCC(C)(C)N1;LILKGPRMGDDFMI-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248814;MM248814;CC#CC1CCC(C)(C)O1;CZGBLSMLSXEKQG-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248815;MM248815;CCC=C1CCC(C)(C)C1;UPJDVYKHBAJMHP-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248816;MM248816;CC1(C)CCC(=CCN)C1;PFIGYDRKUQTSRL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248817;MM248817;CCC=C1CCC(C)(N)C1;REVXKNPBRVIAJS-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248818;MM248818;CC1(N)CCC(=CCN)C1;MJSMBMRBZFLRFE-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248819;MM248819;CC(C)N(C=N)N=CCO;ICLDGTVEXPQMLJ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248820;MM248820;CC1(O)CCC(=CCN)C1;QSTJLCXIGUZPSC-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248821;MM248821;CCC=C1CCC(C)(F)C1;IHCIPPZEYZKMOK-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248822;MM248822;CC1(F)CCC(=CCN)C1;PRVQWOQCWRGGRY-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248823;MM248823;CCC=C1CCC(F)(F)C1;FTUSIFUIJVSQEB-UHFFFAOYSA-N;146.18;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248824;MM248824;CCC=C1CNC(C)(C)C1;NWIOOTPZDZDWDQ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248825;MM248825;CC1(C)CC(=CCN)CN1;PVRGTXBHBYQHOV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248826;MM248826;CCC=C1COC(C)(C)C1;ARVURFTWTARWHJ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248827;MM248827;CC1(C)CC(=CCN)CO1;PLMHYVDCMNFOGO-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248828;MM248828;CCN=C1CCC(C)(C)N1;OKUQLJUJTHFXPE-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248829;MM248829;CCC=C1COC(C)(C)O1;KMMYQBLPBXJMES-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248830;MM248830;C=CC=C1CCC(C)(C)C1;ZTSRPAVXNUMZJQ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248831;MM248831;CC1(C)CCC(=CC=O)C1;UZBZKTKWPIMNBX-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248832;MM248832;CC1(C)CCC(=CC#N)C1;AFZQNXPJBAQXCR-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248833;MM248833;C=CC=C1CCC(C)(N)C1;YJHRWVFFGGZEEY-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248834;MM248834;CNn1nc(N)n(N)c1=O;NCTYXSQFTQNGLL-UHFFFAOYSA-N;144.14;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248835;MM248835;CNC(CO)C(=NN)OC;JFKXJUGNPCINKV-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248836;MM248836;NC=C(CF)C(=NN)NO;JHTAQOCSYNBVRP-UHFFFAOYSA-N;148.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248837;MM248837;C=CC=C1CCC(C)(F)C1;RKQIWUGOFVHQNB-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248838;MM248838;CC1(F)CCC(=CC=O)C1;ITYRUYBJESUZKL-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248839;MM248839;CC1(F)CCC(=CC#N)C1;HPKYDDIZYSLBKD-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248840;MM248840;C=CC=C1CCC(F)(F)C1;HQDWPOWYCOFBNT-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248841;MM248841;O=CC=C1CCC(F)(F)C1;CSJZUCADWMFOGJ-UHFFFAOYSA-N;146.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248842;MM248842;N#CC=C1CCC(F)(F)C1;UFNUVNYFUHVUAD-UHFFFAOYSA-N;143.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248843;MM248843;CC1(C)CNC(=CC#N)C1;VXUPPLMFKKYSOB-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248844;MM248844;CC1(O)CNC(=CC=O)C1;MQITXONFHUCFNP-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248845;MM248845;COC(=NN)C(=CN)CO;PLCKVBWHWAUFEJ-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248846;MM248846;CC1(F)CNC(=CC=O)C1;HZNPKJOAHJTFLP-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248847;MM248847;CC1(F)CNC(=CC#N)C1;LTSURMQPKPZPMW-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248848;MM248848;N#CC=C1CC(F)(F)CN1;WSLJCCUPVZMVMU-UHFFFAOYSA-N;144.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248849;MM248849;CC1(F)CN=C(NC=N)C1;UTCDKRABERAICG-UHFFFAOYSA-N;143.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248850;MM248850;C=CC=C1CC(C)(C)CO1;YJOYXDPIEALCIU-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248851;MM248851;CC1(C)COC(=CC#N)C1;TZCAMVZJLYDZFN-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248852;MM248852;C=CC=C1CC(C)(N)CO1;MXOWHFGETXGYSM-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248853;MM248853;C=CC=C1CC(C)(O)CO1;DVLHXBQZRVHDGE-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248854;MM248854;CC1(O)COC(=CC#N)C1;XUGXRVNRIKPPBU-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248855;MM248855;C=CC=C1CC(C)(F)CO1;QMBWWFMRFPEHHN-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248856;MM248856;C=CC=C1CC(F)(F)CO1;PNOYIIIECHFISM-UHFFFAOYSA-N;146.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248857;MM248857;N#CC=C1CC(F)(F)CO1;NVKXPBFURJRIQK-UHFFFAOYSA-N;145.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248858;MM248858;C=CC=C1CNC(C)(C)C1;SEBKRJACUXAOHG-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248859;MM248859;CC1(C)CC(=CC=O)CN1;MQDDWVJAWRLYSI-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248860;MM248860;CC1(C)CC(=CC#N)CN1;BQNDBQYKTQEQDJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248861;MM248861;C=CC=C1COC(C)(C)C1;HTQLDCNAZUCCGW-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248862;MM248862;CC1(C)CC(=CC=O)CO1;ZEFNCZYTMNZEJN-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248863;MM248863;CC1(C)CC(=CC#N)CO1;AOJUYNDBHKAYBQ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248864;MM248864;CC1(C)CCC(=CC=O)N1;CLSWMYSOQAHCRU-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248865;MM248865;CC1(C)CCC(=CC#N)N1;LITWQIBIVCVKRZ-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248866;MM248866;CC1(C)CNC(=CC#N)N1;FCDZIPOQUVCWIK-UHFFFAOYSA-N;137.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248867;MM248867;CC1(C)COC(=CC#N)N1;DBWBFHWMFRZVMX-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248868;MM248868;C=CC=C1CCC(C)(C)O1;SPSJZHCAEFDJEX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248869;MM248869;CC1(C)CCC(=CC#N)O1;QWTDBIPJLFJVER-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248870;MM248870;CC1(C)CNC(=CC#N)O1;LSVRHIJVRGXNPY-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248871;MM248871;CC1(C)OCC(=CC#N)O1;QSFAADNLTSAGRR-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248872;MM248872;C#CC=C1CCC(C)(C)C1;KPQIDBZYJFVWAX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248873;MM248873;C#CC=C1CCC(C)(N)C1;KTUSWJYKFZGFAT-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248874;MM248874;CN=C(NO)C(CF)=NN;UDSBHDGGCPQFRD-UHFFFAOYSA-N;148.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248875;MM248875;C#CC=C1CCC(C)(F)C1;TXQMNWUGRFTPOT-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248876;MM248876;C#CC=C1CCC(F)(F)C1;UAILDYOEQDWISJ-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248877;MM248877;C#CC=C1CC(C)(C)CO1;LCFJSCUUUVIJTH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248878;MM248878;C#CC=C1CC(C)(N)CO1;VNBWKJUXVUCCAW-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248879;MM248879;C#CC=C1CC(C)(O)CO1;AHXVAOWCOOMMDD-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248880;MM248880;C#CC=C1CC(C)(F)CO1;UBOIAKKXCGKNPC-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248881;MM248881;C#CC=C1CC(F)(F)CO1;VEASPXZGUGDXBA-UHFFFAOYSA-N;144.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248882;MM248882;C#CC=C1CNC(C)(C)C1;PGXSNOXAHOJPQX-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248883;MM248883;C#CC=C1COC(C)(C)C1;VQKPLVUGFJQUII-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248884;MM248884;C#CC=C1CCC(C)(C)O1;RQPSUWNAWFUUFB-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248885;MM248885;C#CC=C1COC(C)(C)O1;NSYKOZLMQZSKTM-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248886;MM248886;CCCC1C=CC(C)(N)C1;MASKVMBQXIAOJJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248887;MM248887;CC1(N)C=CC(CCN)C1;LIGRQRICLQRDIK-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248888;MM248888;CCCC1C=CC(C)(F)C1;TYBGBPSSWZRSHX-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248889;MM248889;CCNC1C=CC(C)(C)C1;DZNQHBZSQXOIIP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248890;MM248890;CCCC1C=CC(C)(C)N1;UPQSRUGOWDUWQX-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248891;MM248891;CCCN1C=NC(C)(C)C1;CFXUMSPCEKYRIG-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248892;MM248892;CC1(C)C=CC(CC#N)C1;ZTESPAVFRNQHEH-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248893;MM248893;C=CCC1C=CC(C)(N)C1;JDPHQBFTJHRLIX-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248894;MM248894;NN=C(CF)NN=CCO;JPOTXSAAIGRTRH-UHFFFAOYSA-N;148.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248895;MM248895;C=CCC1C=CC(C)(F)C1;XEQIFXVCONBPPG-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248896;MM248896;C=CCC1C=CC(C)(C)N1;FVWVSBXYONJIJB-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248897;MM248897;C=CCN1CC(C)(C)C=N1;SVEBRGCJRUSQCY-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248898;MM248898;CC1(C)C=NN(CC#N)C1;KREKHCXPAMPVNK-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248899;MM248899;C=CC(=NN)NN=CCO;ZOFVPJHDFNURBH-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248900;MM248900;C=CCN1CC(C)(F)C=N1;FJFAPMLZRYTCJS-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248901;MM248901;C=CCN1C=NC(C)(C)C1;VCDVHAILCMUIST-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248902;MM248902;C#CCC1C=CC(C)(N)C1;JUOSCQKHWBEDQW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248903;MM248903;CN=C(C=NOC=O)NO;SGFIUXGWDHMPRG-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248904;MM248904;C#CCC1C=CC(F)(F)C1;QNKXMIQTZHUZLO-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248905;MM248905;C#CCC1C=CC(C)(C)N1;LHLSAICMEDGMAL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248906;MM248906;C#CCC1C=CC(C)(C)O1;YZIQLMKASHFZFC-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248907;MM248907;C#CCN1CC(C)(C)C=N1;KSDRLBGAAUEVRM-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248908;MM248908;C=C(C=CF)C(=NN)NO;XAKGVPGHRCXELM-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248909;MM248909;C#CCN1CC(C)(F)C=N1;OZYRHDNFZBIWQG-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248910;MM248910;C#CCN1CC(F)(F)C=N1;GVOITSOHHUMXHC-UHFFFAOYSA-N;144.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248911;MM248911;CC=CC1C=CC(C)(C)N1;JLQWIYDWNNYHRS-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248912;MM248912;CC=CN1C=NC(C)(C)C1;SFCAWHGLMRMXOY-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248913;MM248913;CC#CC1C=CC(C)(C)C1;RIJCHHKOCQDYIP-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248914;MM248914;CC#CC1C=CC(C)(N)C1;JVVXYOTUQYBZRM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248915;MM248915;CC1CC(=NN)CCC1O;STWZTHFCBZRGTA-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248916;MM248916;CC#CC1C=CC(C)(C)N1;LXQRXJAKFFXVRY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248917;MM248917;CC#CC1C=CC(C)(C)O1;MGJVMNQHCNHPHW-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248918;MM248918;CCC=C1C=CC(C)(C)C1;WGELZGMCQQURAG-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248919;MM248919;CC1(C)C=CC(=CCN)C1;OOIPARMBCGRPFM-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248920;MM248920;CCC=C1C=CC(C)(N)C1;URORSOSEXNVOIZ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248921;MM248921;CC1(N)C=CC(=CCN)C1;NYYNOJVBZAXIRY-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248922;MM248922;CC(C)C(O)CCN1CC1;ZNRCFXZLUWVIFB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248923;MM248923;CC1(O)C=CC(=CCN)C1;GDCYVLIJRINIMN-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248924;MM248924;CCC=C1C=CC(C)(F)C1;VLZLYRHDOZIVHF-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248925;MM248925;CC1(F)C=CC(=CCN)C1;ZVDTYITUZIOLGO-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248926;MM248926;CCC=C1C=CC(F)(F)C1;VHCGXGILADJIPH-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248927;MM248927;CCC=C1C=CC(C)(C)O1;KHYPGNKGTYQGJE-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248928;MM248928;CC1(C)C=CC(=CCN)O1;QGQQPSJNOFOJQD-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248929;MM248929;C=CC=C1C=CC(C)(C)C1;HKCBPGSTRXIYEC-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248930;MM248930;CC1(C)C=CC(=CC=O)C1;IFHFRGRTICRKAZ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248931;MM248931;CC1(C)C=CC(=CC#N)C1;BTCDSUZEZIRMLS-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248932;MM248932;C=CC=C1C=CC(C)(N)C1;BVTMBXLHNFQFNC-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248933;MM248933;C=C1C(NO)=NNC1CC;SAYAPTKZMCHCEK-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248934;MM248934;CNn1ccc(CO)c1N;NNQXCWOZBPSXIQ-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248935;MM248935;CNC(C#N)C1C(C)C1O;WWRJCEOMORNXIM-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248936;MM248936;C=CC=C1C=CC(C)(F)C1;LSCKWKNQHITKKZ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248937;MM248937;CC1(F)C=CC(=CC=O)C1;YSYWPIRDMNOCIP-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248938;MM248938;CC1(F)C=CC(=CC#N)C1;GFNNTGRROAWFQA-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248939;MM248939;C=CC=C1C=CC(F)(F)C1;HRGLCYLJEMFUQF-UHFFFAOYSA-N;142.15;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248940;MM248940;O=CC=C1C=CC(F)(F)C1;RWVSBHHYIAMORP-UHFFFAOYSA-N;144.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248941;MM248941;N#CC=C1C=CC(F)(F)C1;JLTCUNYMWHFMKA-UHFFFAOYSA-N;141.12;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248942;MM248942;C=NN=C1C=CC(C)(C)C1;KDPLRJJHNYLJNM-UHFFFAOYSA-N;136.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248943;MM248943;CC1(C)C=CC(=CC=O)N1;DZQUVOLXIBEILV-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248944;MM248944;CC1(C)C=CC(=CC#N)N1;LMZIGSBEOZRKNC-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248945;MM248945;CC1(C)C=CC(NC=N)=N1;SJCKZUVPVJXPQL-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248946;MM248946;CN(C)N=CCO;QQAXBNJRYLADCZ-UHFFFAOYSA-N;102.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248947;MM248947;C=CC=C1C=CC(C)(C)O1;BTNNKKWZNOZAFI-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248948;MM248948;CC1(C)C=CC(=CC#N)O1;STFLBESLWBSJEY-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248949;MM248949;C#CC=C1C=CC(C)(C)C1;IHZJRGPVZWPNAV-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248950;MM248950;C#CC=C1C=CC(C)(N)C1;HPBOPRLCVVVIPG-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248951;MM248951;OCC=NN1CC1;RWLZETVSJSRCTM-UHFFFAOYSA-N;100.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248952;MM248952;C#CC=C1C=CC(C)(F)C1;MYTYDMQWEUOMPS-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248953;MM248953;C#CC=C1C=CC(F)(F)C1;LABLVBXWTVKHFW-UHFFFAOYSA-N;140.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248954;MM248954;C#CC=C1C=CC(C)(C)O1;OPRCBTWJNUJDRN-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248955;MM248955;CCCC1=CCC(C)(C)C1;YFMGJFJDCLBDMB-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248956;MM248956;CCCC1=CCC(C)(N)C1;NWFJNFVQCQBKCW-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248957;MM248957;CC1(N)CC=C(CCN)C1;YKCVLAHFRNHGFK-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248958;MM248958;CC(=O)N(N)C(N)=O;IMUUUWPEMCYPKE-UHFFFAOYSA-N;117.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248959;MM248959;CCCC1=CCC(C)(F)C1;INFIWNIZGVJDGV-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248960;MM248960;CCCC1=CCC(F)(F)C1;PIQWOHSISSTZSB-UHFFFAOYSA-N;146.18;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248961;MM248961;CCCC1=NNC(C)(C)C1;SXDURBDPOHSCMO-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248962;MM248962;CCCC1=COC(C)(C)C1;BMQYMMKTRLWVHA-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248963;MM248963;CCCC1=NOC(C)(C)C1;JBMRAZNAMJDMOM-UHFFFAOYSA-N;141.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248964;MM248964;CCCC1=NC(C)(C)CN1;OPCUZYBFOUZSBK-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248965;MM248965;CCCC1=CCC(C)(C)O1;IDCNCDOBKORWEA-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248966;MM248966;C=CCC1=CCC(C)(C)C1;SVZWPVPABYMPRA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248967;MM248967;CC1(C)CC=C(CC#N)C1;YSCWGNHOKPLTAN-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248968;MM248968;C=CCC1=CCC(C)(N)C1;LSYPAFBCQDJVBW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248969;MM248969;CON=CC(=N)NO;LJQDVFLMCXTSIV-UHFFFAOYSA-N;117.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248970;MM248970;CNc1ncn(N)n1;QLZQMMXGLUTGII-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248971;MM248971;C=CCC1=CCC(C)(F)C1;UQDGYTHHOISZSX-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248972;MM248972;CC1(F)CC=C(CC#N)C1;PQCVJQQNRJZXNH-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248973;MM248973;C=CCC1=CCC(F)(F)C1;UNBCADMUNMPORB-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248974;MM248974;N#CCC1=CCC(F)(F)C1;HVKXTTFCURKDAG-UHFFFAOYSA-N;143.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248975;MM248975;CC1(C)CC=C(NC=N)C1;CEOYRWFPGJDSCC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248976;MM248976;CC1(N)CC=C(NC=N)C1;IIJZIMWQVLMRAU-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248977;MM248977;CC1(O)CC=C(NC=N)C1;GHYASTPMGGPJOV-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248978;MM248978;C=COC1=CCC(C)(C)C1;VCBBQHBNROSQRI-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248979;MM248979;C=COC1=CCC(C)(N)C1;JGXBSXKFBNPUHD-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248980;MM248980;C=COC1=CCC(C)(O)C1;AEBXVQSAPZCDCE-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248981;MM248981;C=COC1=CCC(C)(F)C1;JZMPBSLFGVZUMU-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248982;MM248982;C=CNC1=NCC(C)(N)C1;HQJIUNTUWIJYEP-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248983;MM248983;C=CNC1=NCC(C)(O)C1;QUECROBTTRWECK-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248984;MM248984;C=CNC1=NCC(C)(F)C1;WKOQPZQCWZMISH-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248985;MM248985;C=CN=C1CC(F)(F)CN1;QEESCNMMQXIUOI-UHFFFAOYSA-N;146.14;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248986;MM248986;C=CCC1=NNC(C)(C)C1;BCZREMXLAZLUOU-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248987;MM248987;CC1(C)CC(CC#N)=NN1;RQJYCNIBNCQXFY-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248988;MM248988;C=CNC1=NNC(C)(C)C1;QQFMEHJBIXMVQY-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248989;MM248989;C=CCC1=COC(C)(C)C1;WEYGOVLWQBNCAG-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248990;MM248990;CC1(C)CC(CC#N)=CO1;FLFADUIKAMPEJI-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248991;MM248991;C=CCC1=NOC(C)(C)C1;PCDKGKWCRNSKGO-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248992;MM248992;CC1(C)CC(CC#N)=NO1;XZLHXMNKMZQYDR-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248993;MM248993;C=CNC1=NOC(C)(C)C1;WOWCKYBAYIMIID-UHFFFAOYSA-N;140.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248994;MM248994;C=CCC1=NCC(C)(C)N1;DTRZEEBBDIAPBZ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248995;MM248995;C=CNC1=NCC(C)(C)N1;UTGBKZMBJQFOQT-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248996;MM248996;C=CCC1=CCC(C)(C)O1;DIUNHZBPALSOGW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248997;MM248997;CC1(C)CC=C(CC#N)O1;AHXDJTSLSPIFAI-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248998;MM248998;C=CCC1=COC(C)(C)O1;ZTAHNYRJZRCMBQ-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM248999;MM248999;C#CCC1=CCC(C)(C)C1;IHIHESJUUPYDLJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249000;MM249000;C#CCC1=CCC(C)(N)C1;WPQAOYTYLDPCMD-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249001;MM249001;CC=Cc1cn[nH]c1;UKPYJMPDVQRNEK-UHFFFAOYSA-N;108.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249002;MM249002;C#CCC1=CCC(C)(F)C1;OPLIYSBPQDDKHL-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249003;MM249003;C#CCC1=CCC(F)(F)C1;FOPTUIXVKJCMDG-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249004;MM249004;C#CCC1=NNC(C)(C)C1;UJMJRTHRWSWEFA-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249005;MM249005;C#CCC1=COC(C)(C)C1;HVIUZZXTVVTPAI-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249006;MM249006;C#CCC1=NOC(C)(C)C1;CEYBTPMLRMPXLA-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249007;MM249007;C#CCC1=NCC(C)(C)N1;RFSQWKGZKIXZQS-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249008;MM249008;C#CCC1=CCC(C)(C)O1;CFMHJPLJGBNSET-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249009;MM249009;C#CCC1=COC(C)(C)O1;NILVKXGWGWTCAI-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249010;MM249010;C#CCC1=NOC(C)(C)O1;YUCJKTOUDSVGPW-UHFFFAOYSA-N;139.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249011;MM249011;CC=CC1=CCC(C)(C)C1;LJWHQMOBMZNDKV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249012;MM249012;CC=CC1=CCC(C)(N)C1;KUKXUVRNXIPUKP-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249013;MM249013;NN(C=O)C1CC1O;UBTBIFIGHVMTAW-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249014;MM249014;CC=CC1=CCC(C)(F)C1;MKXFSCYRWHSYHN-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249015;MM249015;CC=CC1=CCC(F)(F)C1;OWJIPNAXNKGKHT-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249016;MM249016;CC=CC1=NNC(C)(C)C1;KWRIQLGBLOFTNY-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249017;MM249017;CC=CC1=COC(C)(C)C1;JUPLHCFZZZLNNX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249018;MM249018;CC=CC1=NOC(C)(C)C1;DCPREVGTBTZDAL-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249019;MM249019;CC=CC1=NC(C)(C)CN1;IPGSVYUINNLJGS-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249020;MM249020;CC=CC1=CCC(C)(C)O1;WFDXSIZIYURVAU-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249021;MM249021;CC=CC1=COC(C)(C)O1;FACYFKYDHWFBRL-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249022;MM249022;CC=CC1=NOC(C)(C)O1;ZEVNUTDLEIMCAG-UHFFFAOYSA-N;141.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249023;MM249023;CC#CC1=CCC(C)(C)C1;KNPASZCUYSGQHO-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249024;MM249024;CC#CC1=CCC(C)(N)C1;CUEMCQHFTANIQZ-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249025;MM249025;C=NN(C)C1CC1O;HKNMKRLFPXZFDP-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249026;MM249026;CC#CC1=CCC(C)(F)C1;XWNIQVKGULVCLP-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249027;MM249027;CC#CC1=CCC(F)(F)C1;XXPSATNCZXDDRD-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249028;MM249028;CC#CC1=NNC(C)(C)C1;KKRDKOBZQPQUOI-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249029;MM249029;CC#CC1=COC(C)(C)C1;XYWJUWJGJGHTAL-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249030;MM249030;CC#CC1=NOC(C)(C)C1;MLTLHANAGDTBIM-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249031;MM249031;CC#CC1=CCC(C)(C)O1;BAUWVGIVHQYITK-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249032;MM249032;CC#CC1=COC(C)(C)O1;PTOUGMZZWVBBFJ-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249033;MM249033;CC#CC1=NOC(C)(C)O1;PQLJJMJKYRUWHH-UHFFFAOYSA-N;139.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249034;MM249034;CCCC1=CC(C)(C)CC1;TUDCAFOPHSJDJB-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249035;MM249035;CCCC1=CC(C)(N)CC1;PDMYSGFBEBWJHO-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249036;MM249036;CC1CN1N=CCO;LONDPHMYXDSIIF-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249037;MM249037;CCCC1=CC(C)(F)CC1;OYTXPXYNZFYFHO-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249038;MM249038;CCCC1=CC(F)(F)CC1;DAVREXWTKREPIY-UHFFFAOYSA-N;146.18;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249039;MM249039;CCCC1=CC(C)(C)CO1;ZTTSEYOCVSFZCR-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249040;MM249040;CCCC1=CC(C)(N)CO1;FGCPZRKNFZJSLM-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249041;MM249041;CCCC1=CC(C)(O)CO1;OPCZXKOOBYMDBB-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249042;MM249042;CCCC1=CC(C)(C)NC1;NVBJRDBECBRYPR-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249043;MM249043;CCCC1=CC(C)(C)OC1;NGMNFKOAUUCJHQ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249044;MM249044;C=CCC1=CC(C)(C)CC1;ICIWHWUACQCRDY-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249045;MM249045;CC1(C)C=C(CC#N)CC1;YFWDGRSRCGIXFY-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249046;MM249046;C=CCC1=CC(C)(N)CC1;MNYBHAWJBCJYOB-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249047;MM249047;OCC=NNCCF;NYWHEFQEURODKN-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249048;MM249048;OCC=NNC1CC1;XFULOUXYPSFICR-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249049;MM249049;C=CCC1=CC(C)(F)CC1;SYQDCQWVCUMDQW-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249050;MM249050;CC1(F)C=C(CC#N)CC1;BIYLTMQEXVFRFG-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249051;MM249051;C=CCC1=CC(F)(F)CC1;QSGHWUWGMQWVDT-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249052;MM249052;N#CCC1=CC(F)(F)CC1;HSAFVJAMJVAZHT-UHFFFAOYSA-N;143.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249053;MM249053;CC1(C)C=C(NC=N)CC1;XPZIOKLXSHMYQA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249054;MM249054;CC1(N)C=C(NC=N)CC1;MVFJOQICNFKRJR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249055;MM249055;CC1(O)C=C(NC=N)CC1;NUDOPQZKDJNBCB-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249056;MM249056;CC1(F)C=C(NC=N)CC1;FXVDNQHKOFUOBS-UHFFFAOYSA-N;142.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249057;MM249057;C=COC1=CC(C)(C)CC1;WCFQNBJWWWPDDQ-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249058;MM249058;C=COC1=CC(C)(N)CC1;NKFLCGVQCGYUDF-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249059;MM249059;C=COC1=CC(C)(O)CC1;JCUITYBDAUAIAV-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249060;MM249060;C=COC1=CC(C)(F)CC1;NEZYXFIHBJNOFT-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249061;MM249061;C=CCC1=CC(C)(C)CO1;JUVZTJOKHIJDTK-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249062;MM249062;CC1(C)C=C(CC#N)OC1;SLWOBOUSTPFTDS-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249063;MM249063;C=CCC1=CC(C)(N)CO1;MDVWOTONZIGYRO-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249064;MM249064;C=CCC1=CC(C)(O)CO1;FLQJSHSYTLTBTC-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249065;MM249065;CC1(O)C=C(CC#N)OC1;ZBMQDTCUCRFRCX-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249066;MM249066;C=CCC1=CC(C)(F)CO1;AUPARSWOLMYZBA-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249067;MM249067;CC1(F)C=C(CC#N)OC1;LBMPKOYETNMDDN-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249068;MM249068;C=CCC1=CC(F)(F)CO1;TWPPXBSUDVPNKY-UHFFFAOYSA-N;146.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249069;MM249069;C=CCC1=CC(C)(C)NC1;HLKFRHGAMSIBHQ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249070;MM249070;CC1(C)C=C(CC#N)CN1;YIKIXIFEIVNFSO-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249071;MM249071;CC1(C)C=C(NC=N)CN1;FMHAIXBWSPZTGH-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249072;MM249072;C=COC1=CC(C)(C)NC1;ODYILKJPLLQZCV-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249073;MM249073;C=CCC1=CC(C)(C)OC1;HFHCJQLBDNJDGL-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249074;MM249074;CC1(C)C=C(CC#N)CO1;ASODMSHXXKYPFF-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249075;MM249075;C=COC1=CC(C)(C)OC1;KULQHGMKXSGYNP-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249076;MM249076;C=CN=C1CCC(C)(C)N1;HKVVQZVVAARXEW-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249077;MM249077;C=CNC1=NC(C)(C)CN1;UTGBKZMBJQFOQT-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249078;MM249078;C#CCC1=CC(C)(C)CC1;UGLHTEDKZKDECA-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249079;MM249079;C#CCC1=CC(C)(N)CC1;YSOZLTRLZUIJBY-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249080;MM249080;C#CCC(=O)CON=C;PYZUYDGAAIZTBP-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249081;MM249081;C#CCC1=CC(C)(F)CC1;JLBFSZXRNURCTD-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249082;MM249082;C#CCC1=CC(F)(F)CC1;SIWXEVKOVFIZEU-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249083;MM249083;C#CCC1=CC(C)(C)CO1;SRFDRYDMBSXNRC-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249084;MM249084;C#CCC1=CC(C)(N)CO1;ZEABCNRXQSYGJM-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249085;MM249085;C#CCC1=CC(C)(O)CO1;HAOBAHBGYUKEDW-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249086;MM249086;C#CCC1=CC(C)(F)CO1;ZYQDSMQCCRKFKT-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249087;MM249087;C#CCC1=CC(F)(F)CO1;RVMIIODHHKRVDD-UHFFFAOYSA-N;144.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249088;MM249088;C#CCC1=CC(C)(C)NC1;FKQJATXTWXNRFD-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249089;MM249089;C#CCC1=CC(C)(C)OC1;PKCYRJCNYXAEQX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249090;MM249090;CC=CC1=CC(C)(C)CC1;WOCCRXWFZROAGW-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249091;MM249091;CC=CC1=CC(C)(N)CC1;DLDNWGDUURKMGM-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249092;MM249092;CN(CC#N)N=CCO;PAELYULQAAMPKO-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249093;MM249093;CC=CC1=CC(C)(F)CC1;DWXPOENUNADIRE-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249094;MM249094;CC=CC1=CC(F)(F)CC1;ZGNREDFSYOIYBL-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249095;MM249095;CC=CC1=CC(C)(N)CO1;MJDCCTSQWMODNB-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249096;MM249096;CC=CC1=CC(C)(C)NC1;WJRMQMQFGVKRMD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249097;MM249097;CC=CC1=CC(C)(C)OC1;XNRDYMOPWPCVAF-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249098;MM249098;CC#CC1=CC(C)(C)CC1;SRTXJDWRCJOSND-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249099;MM249099;CC#CC1=CC(C)(N)CC1;GEFVCYPBYTYFJD-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249100;MM249100;CC1(C(N)=O)NC1C#N;NVMOMKYKXGSWFY-UHFFFAOYSA-N;125.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249101;MM249101;CC#CC1=CC(C)(F)CC1;KEZHCIVZNMIIOO-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249102;MM249102;CC#CC1=CC(F)(F)CC1;MXRGPFFCVNMONY-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249103;MM249103;CC#CC1=CC(C)(C)CO1;UFTMMFGLAOJOSV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249104;MM249104;CC#CC1=CC(C)(N)CO1;WPGVBFODGGXRIE-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249105;MM249105;CC#CC1=CC(C)(O)CO1;IVQRAZLMFNEGJM-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249106;MM249106;CC#CC1=CC(C)(F)CO1;PGYFQUWTDLCQTA-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249107;MM249107;CC#CC1=CC(F)(F)CO1;OEINDSGBDQJVMO-UHFFFAOYSA-N;144.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249108;MM249108;CC#CC1=CC(C)(C)NC1;MMHKMEPASQTFHN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249109;MM249109;CC#CC1=CC(C)(C)OC1;LXVLMKAENBCOEN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249110;MM249110;CCCC1=CC(C)(C)C=C1;DKACPYQJUACLSX-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249111;MM249111;CCCC1=CC(C)(N)C=C1;POXWJYROHNKGJZ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249112;MM249112;CC(C=O)NN=CCO;KGDDKHGQZYSHQL-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249113;MM249113;CCCC1=CC(C)(F)C=C1;MBZXYKRBPKFFPE-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249114;MM249114;CCCC1=CC(F)(F)C=C1;QIVDXYIONHQBFZ-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249115;MM249115;NCCC1=CC(F)(F)C=C1;GEFOQVBPQLBCHX-UHFFFAOYSA-N;145.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249116;MM249116;C=CCC1=CC(C)(C)C=C1;IADAVYDVOKNXIN-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249117;MM249117;CC1(C)C=CC(CC#N)=C1;XJAQZOASYKHCPH-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249118;MM249118;C=CCC1=CC(C)(N)C=C1;RSZWVYCRJVYUHF-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249119;MM249119;N=C(C=NOC=O)NO;GDJRJSHXRIMVRB-UHFFFAOYSA-N;131.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249120;MM249120;CCN=C(C=NN)NO;ZYDINEFJSMJYDU-UHFFFAOYSA-N;130.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249121;MM249121;C=CCC1=CC(C)(F)C=C1;SSLFGEDTMRTFTM-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249122;MM249122;CC1(F)C=CC(CC#N)=C1;BABLOXPFOFACFF-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249123;MM249123;C=CCC1=CC(F)(F)C=C1;WTJQQXAFUNVDGA-UHFFFAOYSA-N;142.15;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249124;MM249124;N#CCC1=CC(F)(F)C=C1;TXHFKPFKNFMORD-UHFFFAOYSA-N;141.12;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249125;MM249125;CC1(C)C=CC(NC=N)=C1;IZXFHLGLQVTPGQ-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249126;MM249126;CC1(N)C=CC(NC=N)=C1;PEFSBYNIDWTCGK-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249127;MM249127;CC1(O)C=CC(NC=N)=C1;YCUQKEWNYLUEBD-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249128;MM249128;CC1(F)C=CC(NC=N)=C1;OOPVQTMDDDFYPE-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249129;MM249129;N=CNC1=CC(F)(F)C=C1;IJLVWHUQJANWOJ-UHFFFAOYSA-N;144.12;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249130;MM249130;C=COC1=CC(C)(C)C=C1;PVTHWQBTKMJWQH-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249131;MM249131;C=COC1=CC(C)(N)C=C1;GLRUAHASHKBRBO-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249132;MM249132;C=COC1=CC(C)(O)C=C1;NJABRQJZPYLBRH-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249133;MM249133;C=COC1=CC(C)(F)C=C1;MKYQBRAWYJTINL-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249134;MM249134;C=COC1=CC(F)(F)C=C1;HWROTAXQDMYCND-UHFFFAOYSA-N;144.12;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249135;MM249135;C=CNC1=NC(C)(C)C=C1;OOBDEDWRGUZLIP-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249136;MM249136;C#CCC1=CC(C)(C)C=C1;KQUBLZZNOMAQTH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249137;MM249137;C#CCC1=CC(C)(N)C=C1;JHKNLYVUPGPRIH-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249138;MM249138;Nc1nc(=O)n(N)n1N;VNSONDFSFDOSDK-UHFFFAOYSA-N;130.11;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249139;MM249139;C#CCC1=CC(C)(F)C=C1;DBDAHRCFVGAEMD-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249140;MM249140;C#CCC1=CC(F)(F)C=C1;ZFGGLWIUSDYBFG-UHFFFAOYSA-N;140.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249141;MM249141;CC=CC1=CC(C)(C)C=C1;KPTUQEZKOFGQMH-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249142;MM249142;CC=CC1=CC(C)(N)C=C1;QLJVGMALTLGONT-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249143;MM249143;Nc1nn(N)c(=O)n1N;HODNVNCZQMSGJH-UHFFFAOYSA-N;130.11;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249144;MM249144;CC=CC1=CC(C)(F)C=C1;XHQMYOZJEHIAKH-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249145;MM249145;CC=CC1=CC(F)(F)C=C1;MFFGQZLVDHQRJL-UHFFFAOYSA-N;142.15;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249146;MM249146;CC#CC1=CC(C)(C)C=C1;FWAKCJTZPOSSPS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249147;MM249147;CC#CC1=CC(C)(N)C=C1;YOCVIRMWLDSDDO-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249148;MM249148;CNc1cc(C)n(O)c1;TVDOEJOFXDEKGK-UHFFFAOYSA-N;126.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249149;MM249149;CC#CC1=CC(C)(F)C=C1;OLEGPEKXFJNDIU-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249150;MM249150;CC#CC1=CC(F)(F)C=C1;OFAICSTYXLXCSF-UHFFFAOYSA-N;140.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249151;MM249151;Nc1nc(=O)ncn1N;CNUDBTOSYOIAJA-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249152;MM249152;CC1CC(N)C(C)(C)C1C;CLIPZGJILRTYQW-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249153;MM249153;CC1CC(O)C(C)C1(C)N;VPOCXJFKBLYBPB-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249154;MM249154;CC1OC(C)C(C)(C)C1C;IDWCDKFSBUOTLG-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249155;MM249155;CC1CN(C)C(C)C1(C)C;IJEFMNIOMJMOMJ-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249156;MM249156;CC1CN(C)C(C)(C)C1C;ZOTSOICLFDUXOY-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249157;MM249157;CC1CC(=O)C(C)C1(C)C;WFQIZSACCHAGQV-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249158;MM249158;C=C1CC(C)C(C)(O)C1C;DMJIADVIPUOHTH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249159;MM249159;CC1NC(=N)C(C)C1(C)C;KUQDXGSDZURXNT-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249160;MM249160;CC1NC(=N)C(C)C1(C)N;USRDBISYQQVRJZ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249161;MM249161;CC1CC(=N)N(C)C1(C)C;LKTQUHZMTQSHEQ-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249162;MM249162;CN1C(=N)CC(N)C1(C)C;BLOFYISNJAIOJF-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249163;MM249163;CC1NC(=N)N(C)C1(C)C;ZDLAKPICXMLDGQ-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249164;MM249164;C=C1CC(C)C(C)C1(C)C;FHVLKZBOMRSZFY-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249165;MM249165;C=C1CC(N)C(C)C1(C)C;UAJOVJNNPLIWLU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249166;MM249166;CC1NC(=N)C(C)(C)C1C;FZDFWPZKIKCAKT-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249167;MM249167;C=C1OC(C)C(C)C1(C)C;BMHFMJLUNTYEFO-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249168;MM249168;C=C1CN(C)C(C)C1(C)C;YIAJDZDGULOKKQ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249169;MM249169;C=C1CC(=C)C(C)(C)C1C;ZLHMRNLLOCLXNE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249170;MM249170;C=C1CC(=O)C(C)C1(C)C;TVFFQCSPMJYCGJ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249171;MM249171;C=C1CC(=C)C(C)(N)C1C;HVTPEDBEAKCTIA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249172;MM249172;C=C1NC(=N)C(C)C1(C)C;NZEBKZVBAGAUGV-UHFFFAOYSA-N;138.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249173;MM249173;C=C1NC(=O)C(C)C1(C)C;GSJLRQXXUCASAK-UHFFFAOYSA-N;139.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249174;MM249174;C=C1NC(=N)C(C)(C)C1C;YGKUBDXGRRANRA-UHFFFAOYSA-N;138.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249175;MM249175;CC1C(=N)NC(=N)C1(C)C;KFGPDISBODIGMD-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249176;MM249176;C=C1NC(=N)C(C)C1(C)N;VZFOIHLSQQXDAD-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249177;MM249177;C=C1OC(=C)C(C)(C)C1C;LSGTZCFAOWOKED-UHFFFAOYSA-N;138.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249178;MM249178;C=C1CC(=N)N(C)C1(C)C;BXEXSOUKMMJQPG-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249179;MM249179;C=C1NC(=N)N(C)C1(C)C;JHHOZZCOVYNPQD-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249180;MM249180;C=C1C(C)CC(C)C1(C)C;DLSANCFDPXPBLK-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249181;MM249181;C=C1C(N)CC(C)C1(C)C;AIAGQMJZXWCORE-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249182;MM249182;C=NN1C=NC(=N)C1C;WTCLIQNXEADKOS-UHFFFAOYSA-N;124.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249183;MM249183;C=C1C(C)CC(N)C1(C)C;DEZHBICTURYCIE-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249184;MM249184;C=C1C(N)CC(N)C1(C)C;DNUNFLIBDSTNML-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249185;MM249185;C=C1C(N)CN(C)C1(C)C;VVUQTMHYKGHGGZ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249186;MM249186;C=C1CC(C)C(C)(C)C1=C;BSQFWNRKCRESSW-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249187;MM249187;C=C1C(=O)CC(C)C1(C)C;YRFAEQWPZXNQOG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249188;MM249188;C=C1CC(N)C(C)(C)C1=C;FCRGCQPXNNUAKV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249189;MM249189;C=C1CC(C)C(C)(N)C1=C;XCDYAWBOWGRZRY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249190;MM249190;C=C1C(=N)NC(C)C1(C)C;AKFZSOGWLLVQHV-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249191;MM249191;C=C1C(=O)NC(C)C1(C)C;QWUHCHVACIWVBC-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249192;MM249192;C=C1C(=N)NC(C)C1(C)N;YLIRIJBJROWCOD-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249193;MM249193;C=C1OC(C)C(C)(C)C1=C;QFRHBUNTUBMEQF-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249194;MM249194;C=C1OC(C)C(C)(N)C1=C;LJBWUFFIKBTORB-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249195;MM249195;C=C1CN(C)C(C)(C)C1=C;OIZGBAOZFXPZSH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249196;MM249196;C=C1C(=O)CN(C)C1(C)C;XJZNRUXAUKYCGD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249197;MM249197;C=C1CC(C)C(=C)C1(C)C;DCLNCCHTMFJTMR-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249198;MM249198;C=C1CC(N)C(=C)C1(C)C;NXAHQWYGHWAPEL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249199;MM249199;CNN(C=O)C1CC1O;ZRWJIRWAWJRPID-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249200;MM249200;C=C1C(C)CC(=O)C1(C)C;BLHIHPPKZFLPAA-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249201;MM249201;C=C1C(C)NC(=N)C1(C)C;FSQTWTAOODSJBR-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249202;MM249202;C=C1OC(C)C(=C)C1(C)C;KPSSYPORNHHPMB-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249203;MM249203;C=C1CC(=C)C(C)(C)C1=C;FVDDKILDPYKSCQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249204;MM249204;C=C1CC(=O)C(=C)C1(C)C;PPVARRWKNSPCKI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249205;MM249205;C=C1NC(=N)C(=C)C1(C)C;OWJBFBCLYZTSBQ-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249206;MM249206;C=C1NC(=O)C(=C)C1(C)C;XRYDECUNAMNZJI-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249207;MM249207;C=C1NC(=N)C(C)(C)C1=C;ZYHUMIPNEBBBGD-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249208;MM249208;C=C1C(=N)NC(=N)C1(C)C;XBOSETNSBUQKAA-UHFFFAOYSA-N;137.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249209;MM249209;CC1CC1NN=CCO;NSRHCXVBIRSBNX-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249210;MM249210;C=C1OC(=C)C(C)(C)C1=C;QJLWCHAWKQTCTP-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249211;MM249211;C=C1OC(=O)C(=C)C1(C)C;BMSSBYKEAMLHIW-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249212;MM249212;CC1=CC(C)C(C)(C)C1C;HMWPAMIWWZWJQM-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249213;MM249213;CC1=CC(C)C(C)(N)C1C;LBPLTWKVAHJHJY-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249214;MM249214;C=C(C#N)C(=NC)NO;LHGHZVBQGHXHJL-UHFFFAOYSA-N;125.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249215;MM249215;CC1=NN(C)C(C)(C)C1C;ZCMNRTOSOHUADR-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249216;MM249216;CC1=NC(C)C(C)(C)N1C;AIHAYIHUSMFEHT-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249217;MM249217;C=C1C=C(C)C(C)C1(C)C;NGZFQYPGDMLELI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249218;MM249218;C=C1C=C(C)C(C)C1(C)N;GNQCERXYWKDYFQ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249219;MM249219;CC(=NN)C(=CF)CO;QHMKFLSIIHFJME-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249220;MM249220;C=C1C(C)=CC(C)C1(C)C;SGEKYIZSYNZLKG-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249221;MM249221;C=C1C(C)=CC(N)C1(C)C;DNEXVZDXRURHDB-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249222;MM249222;C=C1C(C)=NN(C)C1(C)C;XZLYHECPBJBQSH-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249223;MM249223;C=C1C=C(C)C(=C)C1(C)C;ZYNJIWMABWRUJT-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249224;MM249224;C=C1C=C(F)C(=C)C1(C)C;GXPVKPIMIVPXAS-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249225;MM249225;C=C1C(C)=CC(=O)C1(C)C;HTBNCQPKFUTWQN-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249226;MM249226;C=C1C(N)=CC(=O)C1(C)C;VKANAQLXSRNJEY-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249227;MM249227;C=C1C=C(C)C(=C)C1(C)N;WUUABQWOCNHAOP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249228;MM249228;CC1=CC(C)C(C)C1(C)C;MZBBXABILADQJE-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249229;MM249229;CC1=CC(N)C(C)C1(C)C;YSPRCHHRHPPERF-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249230;MM249230;CCN(CC)N=CCO;QFLIWYOHWDJRQX-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249231;MM249231;CC1=CC(N)C(C)C1(C)N;ZHPJYROMOZNKHH-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249232;MM249232;CC1=CC(F)C(C)C1(C)N;HXHQUBKBLJCLSD-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249233;MM249233;CC1=NN(C)C(C)C1(C)C;DGRAMLOFAHGCNJ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249234;MM249234;CC1=CC(C)N(C)C1(C)C;DRDSHSKGQQOBJJ-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249235;MM249235;C=C1C=C(C)C(C)(C)C1C;JSLXSGVSDUZRPN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249236;MM249236;CC1=CC(=O)C(C)C1(C)C;MBPBALYOGZQXFB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249237;MM249237;CC1C(=O)C=C(N)C1(C)C;HHLVHQMRMSJXOE-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249238;MM249238;CC1=CC(=N)N(C)C1(C)C;VOJUVEYVYJFNSM-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249239;MM249239;CC1=CC(=O)N(C)C1(C)C;MZULKGKOZOUDIC-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249240;MM249240;CN1C(=N)C=C(N)C1(C)C;XLZXQOAIDWWMNJ-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249241;MM249241;C=NN=CC(=NC)NO;LZNBWBZBGCQFMT-UHFFFAOYSA-N;128.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249242;MM249242;C=C1C(C)C=C(C)C1(C)C;RJHFFEBHQRCARE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249243;MM249243;C=C1C(N)C=C(C)C1(C)C;SLCGICYEMZOORJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249244;MM249244;CCC1(CO)C=NOC1;ZNEVISRHAHMOHB-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249245;MM249245;C=C1C(C)C=C(F)C1(C)C;BMTCCMYITXJRAH-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249246;MM249246;CC1C=C(F)C(C)(C)C1=O;HRLNGUOFKIWHHH-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249247;MM249247;C=C1C=C(C)C(C)(C)C1=C;MTDPDIHVOVPSPN-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249248;MM249248;C=C1C(=O)C=C(C)C1(C)C;BYYZEMQEBRKFKU-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249249;MM249249;C=C1C(=O)C=C(N)C1(C)C;ZSOJCQBDQHLGPQ-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249250;MM249250;CC1=C(C)C(C)(C)C(C)C1;QAIUVUJHCMVPTO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249251;MM249251;CC1=C(F)CC(C)C1(C)C;PCSUTQGXFQEXLG-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249252;MM249252;CC1=C(C)C(C)(C)C(N)C1;CUAISTJBDSCQDY-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SN0";;;;;;;2.87;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249253;MM249253;CC1=C(F)CC(N)C1(C)C;CELFUJVWDFZRSZ-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249254;MM249254;CC1=C(C)C(C)(N)C(C)C1;HSSWAXCZQCOBAV-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249255;MM249255;CC1=C(C)C(C)(N)C(N)C1;SZSCBPQDZPNZDQ-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249256;MM249256;C=CC1(CO)C=NNC1;WWKJGOCTMLFXHC-UHFFFAOYSA-N;126.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249257;MM249257;CC1=C(C)C(C)(C)C(C)O1;NXXRXOAFPZOQNZ-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249258;MM249258;CC1=C(C)C(C)(C)N(C)C1;OZGGVLUDTZYSGY-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249259;MM249259;C=C1CC(C)=C(C)C1(C)C;UQUJAKKPZXIYDR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249260;MM249260;C=C1CC(F)=C(C)C1(C)C;YFUUDYCSNVNDEB-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249261;MM249261;C=C1CC(C)=C(C)C1(C)N;IBZOVNQWPIJIFT-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249262;MM249262;C=C1CC(F)=C(C)C1(C)N;JDTWDMYOQJZQLM-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249263;MM249263;CC1=C(C)C(C)(C)C(=N)N1;WTCZHEGAGGNTDK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249264;MM249264;C=C1OC(C)=C(C)C1(C)C;ZWPCBMFGMMNNOD-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249265;MM249265;CC1=CC(C)=C(C)C1(C)C;GQZYZGMCKXBNJZ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249266;MM249266;CC1=CC(F)=C(C)C1(C)C;BSQYTGNRMOGVIH-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249267;MM249267;CC1=CC(F)=C(C)C1(C)N;FHXOZVNYQLXWMI-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249268;MM249268;CCC(C)C1C(C)C1(C)C;XADZBKCBVXQRTQ-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249269;MM249269;CC(CN)C1C(C)C1(C)C;ZCEVXNUESXXCIY-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249270;MM249270;C=NOCC1C(C)C1O;ANLDUEOIWRKDPX-UHFFFAOYSA-N;129.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249271;MM249271;CC(CF)C1C(C)C1(C)C;DCYGAMDANFIMFA-UHFFFAOYSA-N;144.23;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249272;MM249272;CCC(N)C1C(C)C1(C)C;SJRRNRNRPBQHQB-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249273;MM249273;CC1C(C(N)CN)C1(C)C;PDFZRGPYSFFSNN-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249274;MM249274;CC1C(C(N)CO)C1(C)C;WWORSZJUDXIZEF-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249275;MM249275;CC1C(C(N)CF)C1(C)C;HUWLJYMVTJAKIF-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249276;MM249276;CC1C(C)N1N=CCO;NIXKQBLODWUBFC-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249277;MM249277;CC1C(C(O)CO)C1(C)C;XEBPTQFIOMSIFU-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249278;MM249278;CCC(F)C1C(C)C1(C)C;NFZDPSJSBWDMPV-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249279;MM249279;CC1C(C(F)CO)C1(C)C;KMWQSUYZVQZIRZ-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249280;MM249280;CC(CN)C1C(N)C1(C)C;BXIVHQXXBMFWGE-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249281;MM249281;CC(CO)C1C(N)C1(C)C;NZFSVTWSWMYRBK-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249282;MM249282;CC(CF)C1C(N)C1(C)C;GELAEOCMEGRQGN-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249283;MM249283;CCC(N)C1C(N)C1(C)C;DPUCDYKPXSFQIT-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249284;MM249284;CCC(O)C1C(N)C1(C)C;VIVWSVLWULEGPY-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249285;MM249285;CC1(C)C(N)C1C(O)CN;KMENKJKCQCAAMZ-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249286;MM249286;CC(CN)C1C(O)C1(C)C;IEIHQAIUTHHHTK-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249287;MM249287;CC(CO)C1C(O)C1(C)C;MBHFQOZNFDBDAK-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249288;MM249288;CC1(C)C(O)C1C(N)CN;WOODTFCPDUXXEC-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249289;MM249289;CCC(O)C1C(O)C1(C)C;KGUSDHDBWYWRBT-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249290;MM249290;CCC(C)C1C(C)C1(C)N;YYOZDTGYRWTJHE-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249291;MM249291;CC(CN)C1C(C)C1(C)N;VMYGDDKRFDCPCQ-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249292;MM249292;CC(CO)C1C(C)C1(C)N;JBMCIXJERATGKU-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249293;MM249293;CC(CF)C1C(C)C1(C)N;RZXJCVXDDQJSJY-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249294;MM249294;CCC(N)C1C(C)C1(C)N;NXVKGIWCUQDTSE-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249295;MM249295;CCC(O)C1C(C)C1(C)N;ZOLWKRZFXBPCMD-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249296;MM249296;CC1C(C(O)CN)C1(C)N;UWZWOVNBOLYGPM-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249297;MM249297;CC1C(C(O)CO)C1(C)N;OBIMCVFUDAGERT-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249298;MM249298;CC1C(C(O)CF)C1(C)N;NJFGRLDQTJVXGJ-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249299;MM249299;CCC(F)C1C(C)C1(C)N;LEQXHUKHGZQCJH-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249300;MM249300;CC1C(C(F)CN)C1(C)N;YCALWWGFTIHECQ-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249301;MM249301;CC1C(C(F)CO)C1(C)N;SPWHYHSLKDWKBP-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249302;MM249302;CC1C(C(F)CF)C1(C)N;TUXFBFWMZJQFDD-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249303;MM249303;CC(CF)C1C(N)C1(C)N;XLNTVULFVFIXTD-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249304;MM249304;CCC(N)C1C(N)C1(C)N;WKUGARTVXANGEL-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249305;MM249305;CC1(N)C(N)C1C(N)CO;BNRVLNXQOBTLLH-UHFFFAOYSA-N;145.21;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249306;MM249306;CCC(O)C1C(N)C1(C)N;SVJPDRIPDDRNJB-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249307;MM249307;CCC(F)C1C(N)C1(C)N;GJYZGRPFIPSTOH-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249308;MM249308;CCC(C)C1C(O)C1(C)N;NUCOQTSIXKVUTR-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249309;MM249309;CC(CO)C1C(O)C1(C)N;VHNZEQRVFRIQLF-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249310;MM249310;CC(CN)C1C(C)C1(C)O;DZPKSGXOTQKUAV-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249311;MM249311;CC(CO)C1C(C)C1(C)O;KQNWSALFDYXDOH-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249312;MM249312;CC(CF)C1C(C)C1(C)O;AGGLNGDNOBNTDQ-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249313;MM249313;CC1C(C(N)CN)C1(C)O;XJKQAKJKLDRPJB-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249314;MM249314;CC1C(C(N)CO)C1(C)O;ILWFUPZHSFNASP-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249315;MM249315;CCC(O)C1C(C)C1(C)O;MIBPHCDALUYFFH-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249316;MM249316;CC1C(C(O)CN)C1(C)O;WVCMZYOZNXHBFJ-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249317;MM249317;CC1C(C(O)CO)C1(C)O;WCUXDTRSGDISMF-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249318;MM249318;CC1C(C(O)CF)C1(C)O;TUKUWZSBRVITMR-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249319;MM249319;CCC(F)C1C(C)C1(C)O;AWSOGHNVOLOJKT-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249320;MM249320;CC(CN)C1C(N)C1(C)O;YOEAFINEKYOKRZ-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249321;MM249321;CCC(N)C1C(N)C1(C)O;IPBIGOVZJDYZRI-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249322;MM249322;CCC(O)C1C(N)C1(C)O;XRYITORQZIBQIQ-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249323;MM249323;CCC(C)C1C(O)C1(C)O;LBKWVINAPKTHHZ-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249324;MM249324;CCC(N)C1C(O)C1(C)O;XLBJJXZHPABTTP-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249325;MM249325;CCC(C)C1C(C)C1(C)F;FSNPAOWHOWAIMU-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249326;MM249326;CC(CN)C1C(C)C1(C)F;XQZFFRGBEXQHHR-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249327;MM249327;CC(CF)C1C(C)C1(C)F;WSUHOIYFYDFXPU-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249328;MM249328;CCC(N)C1C(C)C1(C)F;KWDNYADLACICFR-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249329;MM249329;CCC(O)C1C(C)C1(C)F;VCFQTXPRRITEIE-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249330;MM249330;CC1C(C(O)CN)C1(C)F;NUWCXQWGCUZZFG-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249331;MM249331;CCC(F)C1C(C)C1(C)F;MSCJXOGVCVQAFS-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249332;MM249332;CCC(N)C1C(N)C1(C)F;VWYDYJOFXCRNMG-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249333;MM249333;CCC(C)C1C(C)C1(F)F;OOOFHTFMURTFMB-UHFFFAOYSA-N;148.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249334;MM249334;CC(CO)C1C(C)C1(F)F;SVBIAAVPZWFMSW-UHFFFAOYSA-N;150.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249335;MM249335;CCC(N)C1C(C)C1(F)F;PYJYTWDUOROWGA-UHFFFAOYSA-N;149.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249336;MM249336;CCC(O)C1C(C)C1(F)F;XLLNKYDBYLVKAN-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249337;MM249337;CNC(C)C1C(C)C1(C)C;YNGDCPFATSKURD-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249338;MM249338;CNC(C)C1C(N)C1(C)C;KEIAYIUXGLNFNM-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249339;MM249339;CNC(C)C1C(O)C1(C)C;FDTJLTVDSQQQOH-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249340;MM249340;CNC(C)C1C(C)C1(C)N;FUYGMPLHSFMGHO-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249341;MM249341;CNC(C)C1C(N)C1(C)N;FTIGEXLNRVDVSO-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249342;MM249342;CNC(C)C1C(N)C1(C)O;MMQXOJKWORXKFU-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249343;MM249343;CNC(C)C1C(O)C1(C)O;VCFWQYGNMALBJP-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249344;MM249344;CNC(C)C1C(C)C1(C)F;WNOGHCZXHFMKBC-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249345;MM249345;CNC(C)C1C(N)C1(C)F;SOXOWMCUSFRWBJ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249346;MM249346;CNC(C)C1C(C)C1(F)F;NSXKCFKNTPPCPS-UHFFFAOYSA-N;149.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249347;MM249347;COC(C)C1C(C)C1(C)C;MWFAVRUDMMMUMG-UHFFFAOYSA-N;142.24;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249348;MM249348;COC(C)C1C(N)C1(C)C;GWZZPVZBUYLIDO-UHFFFAOYSA-N;143.23;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249349;MM249349;COC(C)C1C(O)C1(C)C;VSLKATJYUVEQTG-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249350;MM249350;COC(C)C1C(C)C1(C)N;WYLYHIPLMMYLHJ-UHFFFAOYSA-N;143.23;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249351;MM249351;COC(C)C1C(N)C1(C)N;HXXGPOBCAMQINL-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249352;MM249352;COC(C)C1C(C)C1(C)F;WQLHOVNMTZCVGI-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249353;MM249353;COC(C)C1C(N)C1(C)F;GHDPCXRBMOBDAM-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249354;MM249354;CCN(C)C1C(C)C1(C)C;AALIZSKEXYVGDH-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249355;MM249355;CCN(C)C1C(N)C1(C)C;SZULXZKDWILXSB-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249356;MM249356;CCN(C)C1C(C)C1(C)N;DPVWUQZEGPDQKH-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249357;MM249357;CCN(C)C1C(N)C1(C)N;MXXPAXARWJZSRT-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249358;MM249358;CCN(C)C1C(N)C1(C)O;TYHOQPFORUVDIZ-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249359;MM249359;CCN(C)C1C(C)C1(F)F;KFJXVYVJTYNLHJ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249360;MM249360;CCC(N)C1N(C)C1(C)C;GYOVAYHKKZNBFC-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249361;MM249361;CN1C(C(N)CN)C1(C)C;SGDWTOBRAJVHAR-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249362;MM249362;CN1C(C(N)CO)C1(C)C;VBQMDSJPWGWMRX-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249363;MM249363;CN1C(C(O)CN)C1(C)C;ANQXNMZIMFNSGC-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249364;MM249364;CCC1CN1N=CCO;QCFKXMLHZMYLLS-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249365;MM249365;CNC(C)C1N(C)C1(C)C;WUCBOBAWUREVJL-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249366;MM249366;CC(CN)N1C(C)C1(C)C;DUKVVACBWXEHQH-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249367;MM249367;C=CC(C)C1C(C)C1(C)C;JINUMYHCMRCBQD-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249368;MM249368;CC(C=O)C1C(C)C1(C)C;XDOIPSUGTBMTJE-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249369;MM249369;CC(C#N)C1C(C)C1(C)C;ITRPMDFYUKSYIO-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249370;MM249370;C=CC(N)C1C(C)C1(C)C;AQTMPBMUXAODFY-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249371;MM249371;C=NN(C=N)CC(C)(C)O;TZKCMBRUSZRQKA-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249372;MM249372;CC1C(C(O)C=O)C1(C)C;CHDBWAYSRPWFBN-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249373;MM249373;CC1C(C(F)C=O)C1(C)C;BTJGFAKJODJYDH-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249374;MM249374;CC1C(C(F)C#N)C1(C)C;CMLNRLNWXJBVJZ-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249375;MM249375;C=CC(C)C1C(N)C1(C)C;BGJZAQMVDXSXAG-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249376;MM249376;C=NN(C=O)CC(C)(C)O;DMRHTODRXCOTDY-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249377;MM249377;C=CC(N)C1C(O)C1(C)C;PCCGBPPCNIDHGO-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249378;MM249378;CC1(C)C(O)C1C(F)C=O;XJZXJMVNLURKDZ-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249379;MM249379;C=CC(C)C1C(C)C1(C)N;PKSINDBRJIRYJD-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249380;MM249380;C=CC(O)C1C(C)C1(C)N;GHHWFCKAZCCCQA-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249381;MM249381;C=CC(N)C1C(N)C1(C)N;ZVOSXWPUGDFSIE-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249382;MM249382;C=CC(C)C1C(O)C1(C)N;RMOFTNCCMVUQRO-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249383;MM249383;CCC(C)(O)CC(C)=NN;PFSKAYBNSOUTMP-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249384;MM249384;CC(C=O)C1C(C)C1(C)O;KTHYQZOXAVXBFX-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249385;MM249385;CC(C#N)C1C(C)C1(C)O;DMQUFNFUKFQAFS-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249386;MM249386;C=CC(N)C1C(C)C1(C)O;GMKNZDCDBBHZJB-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249387;MM249387;C=CC(O)C1C(C)C1(C)O;CZXHRAHZKGQDNU-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249388;MM249388;CC1C(C(O)C#N)C1(C)O;MLJOWNHPWIVCRA-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249389;MM249389;CC1C(C(F)C=O)C1(C)O;ZDUOJGKDSAPUEN-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249390;MM249390;CC1C(C(F)C#N)C1(C)O;YMSPIKKJFRCFJN-UHFFFAOYSA-N;143.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249391;MM249391;C=CC(C)C1C(N)C1(C)O;OHZSSXMQCXBKOR-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249392;MM249392;C=CC(O)C1C(N)C1(C)O;KVEFDPWBHSDRGK-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249393;MM249393;C=CC(C)C1C(O)C1(C)O;IPWVMACWPXWMGH-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249394;MM249394;CC(C=O)C1C(O)C1(C)O;ZFKRHUJGPCECEL-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249395;MM249395;C=CC(C)C1C(C)C1(C)F;YPJYBGGBHCLYRD-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249396;MM249396;CC(C#N)C1C(C)C1(C)F;LVNGOEIHZNAIGG-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249397;MM249397;C=CC(N)C1C(C)C1(C)F;BJJJZSSWUVILGT-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249398;MM249398;C=CC(F)C1C(C)C1(C)F;MBVXDPBYPAQYNS-UHFFFAOYSA-N;146.18;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249399;MM249399;CC1C(C(F)C=O)C1(C)F;KMFVFWSZLCRVIP-UHFFFAOYSA-N;148.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249400;MM249400;C=CC(C)C1C(N)C1(C)F;AAPGEAQRDCBWHP-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249401;MM249401;C=CC(C)C1C(C)C1(F)F;FKYKOEIKXLHXFE-UHFFFAOYSA-N;146.18;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249402;MM249402;CC(C=O)C1C(C)C1(F)F;NPLPRBQZUCRPAP-UHFFFAOYSA-N;148.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249403;MM249403;CC(C#N)C1C(C)C1(F)F;JXTWVFLISLDRBO-UHFFFAOYSA-N;145.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249404;MM249404;C=CC(O)C1C(C)C1(F)F;JEKKWWDABXCKPN-UHFFFAOYSA-N;148.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249405;MM249405;C=CC(F)C1C(C)C1(F)F;IKVYEXGGSHLKBS-UHFFFAOYSA-N;150.14;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249406;MM249406;CC1C(C(F)C=O)C1(F)F;RXFCPDIQUHAEOH-UHFFFAOYSA-N;152.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249407;MM249407;CC1C(C(F)C#N)C1(F)F;OTTCDADCEJHAJY-UHFFFAOYSA-N;149.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249408;MM249408;CC1C(N(C)C=O)C1(C)C;REXVKXYNUUFGEL-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249409;MM249409;CC1C(N(C)C=N)C1(C)N;CQQKNMVXTWSCMS-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249410;MM249410;CC1C(N(C)C=O)C1(C)N;QNMGYQMHLQUZNP-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249411;MM249411;CN(C=O)C1C(N)C1(C)N;ZAXDFOGNGFWPSQ-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249412;MM249412;CC1C(N(C)C=N)C1(C)O;MBLXLSIYLLPEKV-UHFFFAOYSA-N;142.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249413;MM249413;CN(N=CCO)C(C)(C)C;YJBHLFRPBBPAAF-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249414;MM249414;C=NN(C)C1C(C)C1(C)C;NEMYIWHTUVTPTP-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249415;MM249415;C=NN(C)C1C(C)C1(C)N;LGKGXNROULMSQD-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249416;MM249416;CC(C)(F)CNN=CCO;IACTVJWYYHPGFH-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249417;MM249417;C=CC(N)C1N(C)C1(C)C;QTQKRMKLOMJTJT-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249418;MM249418;CC(C)CN(C)N=CCO;BIRKNULSZZBXKO-UHFFFAOYSA-N;144.22;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249419;MM249419;CC(F)C(=N)N(N)C(N)=O;JCPLLUIJYABJNB-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249420;MM249420;C=CC(F)C1N(C)C1(C)C;XTNUEIWRKVSZCS-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249421;MM249421;CN1C(C(F)C#N)C1(C)C;NUBZSZOWSWPAGX-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249422;MM249422;CC(C)ON=CC(=N)NO;WFQOLOKYTMJPPF-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249423;MM249423;CC(C#N)N1C(C)C1(C)C;SRRLEUMWTIPLJB-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249424;MM249424;CC1N(N(C)C=N)C1(C)C;COWUJPRLOBCTLC-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249425;MM249425;CC1N(N(C)C=O)C1(C)C;AUFMXLOVNUHJAS-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249426;MM249426;C#CC(C)C1C(C)C1(C)C;WKZWGEHFZIXQOR-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249427;MM249427;C#CC(N)C1C(C)C1(C)C;KMIZQWQYUSGALV-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249428;MM249428;C#CC(O)C1C(C)C1(C)C;NFCOCAJGAFRWNU-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249429;MM249429;C#CC(F)C1C(C)C1(C)C;COZULDUIMTZTID-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249430;MM249430;C#CC(C)C1C(N)C1(C)C;WXUHGVQDONSNJO-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249431;MM249431;C#CC(N)C1C(N)C1(C)C;VUXAKOPKVUOVNJ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249432;MM249432;C#CC(F)C1C(N)C1(C)C;KTCPFUKGPGSTMN-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249433;MM249433;C#CC(F)C1C(O)C1(C)C;IFDDZJCXGNZERI-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249434;MM249434;C#CC(C)C1C(C)C1(C)N;LTZVOGIUBXRTMM-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249435;MM249435;C#CC(N)C1C(C)C1(C)N;WAJAZBWFWWDRJJ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249436;MM249436;C#CC(O)C1C(C)C1(C)N;VOBMJRDTEJBDMM-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249437;MM249437;C#CC(F)C1C(C)C1(C)N;LOLOQZBQKHBTMC-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249438;MM249438;C#CC(C)C1C(N)C1(C)N;SVIMYRAXUORJMG-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249439;MM249439;C#CC(N)C1C(N)C1(C)N;UDKXYNZVPLNBAA-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249440;MM249440;C#CC(O)C1C(N)C1(C)N;UQTUGOBMYWKSEM-UHFFFAOYSA-N;140.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249441;MM249441;CN(C)N=C(C=CN)NO;QPJOBBVXAATPIC-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249442;MM249442;C#CC(N)C1C(C)C1(C)O;JPHYEAWHEIQQSC-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249443;MM249443;C#CC(O)C1C(C)C1(C)O;FFZGDWRTATWTSK-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249444;MM249444;C#CC(F)C1C(C)C1(C)O;LWSXPXWWTYPFPJ-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249445;MM249445;C#CC(C)C1C(N)C1(C)O;AUMVODUZNNGNGP-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249446;MM249446;C#CC(C)C1C(C)C1(C)F;VLJUCUGXURGLFK-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249447;MM249447;C#CC(N)C1C(C)C1(C)F;ULCSRSPRTUDQEZ-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249448;MM249448;C#CC(C)C1C(N)C1(C)F;NXUVUJKBZFMFEJ-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249449;MM249449;C#CC(N)C1C(C)C1(F)F;XKZIZOAODBWYQP-UHFFFAOYSA-N;145.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249450;MM249450;C#CC(F)C1C(C)C1(F)F;WBAGCEPOWQDWKI-UHFFFAOYSA-N;148.13;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249451;MM249451;CNN=C(C=C(C)N)NO;FVZRNTOXZVLVPG-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249452;MM249452;C#CC(F)C1N(C)C1(C)C;PLQQOQZFCHNXHZ-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249453;MM249453;C=C(CC)C1C(C)C1(C)C;HHIZLHJEMPHXHU-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249454;MM249454;C=C(CN)C1C(C)C1(C)C;FRZXRYQNDCHCPW-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249455;MM249455;C=C(CO)C1C(C)C1(C)C;MHYULEQKEMBIOA-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249456;MM249456;C=C(CF)C1C(C)C1(C)C;KGGSWIRDNSWDBM-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249457;MM249457;CCC(=O)C1C(C)C1(C)C;ZRJGYSNZUNDCPM-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249458;MM249458;CC1C(C(=O)CO)C1(C)C;CTLLZGGRKZBIQH-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249459;MM249459;CC1C(C(=O)CF)C1(C)C;MADTXLYGKDENQM-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249460;MM249460;C=C(CN)C1C(N)C1(C)C;XTZNKMHEPFSLDN-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249461;MM249461;C=C(CO)C1C(N)C1(C)C;LHUUWBLOJZQUBS-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249462;MM249462;CC(=O)CCNN=CCO;OHQIOZKRGAVPOT-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249463;MM249463;C=C(CC)C1C(C)C1(C)N;FFEBNQXIQFYMSN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249464;MM249464;C=C(CN)C1C(C)C1(C)N;CLBVIQXWJNHGND-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249465;MM249465;C=C(CO)C1C(C)C1(C)N;XHUMZHFYGCHQJD-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249466;MM249466;C=C(CF)C1C(C)C1(C)N;QAAOVZQICXLQMN-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249467;MM249467;C=C(CC)C1C(N)C1(C)N;UCLBHEHBYPKQCF-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249468;MM249468;C=C(CF)C1C(N)C1(C)N;WVJVLBWKXJHNOM-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249469;MM249469;C=C(CC)C1C(O)C1(C)N;HQDJRSZCYXTORJ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249470;MM249470;NN=CNN=COC(N)=O;NAXXAZPZSJPPPK-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249471;MM249471;C=C(CN)C1C(C)C1(C)O;SGWKLRDCXXHBMO-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249472;MM249472;C=C(CO)C1C(C)C1(C)O;AEQRIIAXMTUSHJ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249473;MM249473;C=C(CF)C1C(C)C1(C)O;FOSQQDSQWNBAMU-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249474;MM249474;CC1C(C(=O)CF)C1(C)O;KJAOYEHBFRFQIF-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249475;MM249475;C=C(CC)C1C(N)C1(C)O;WMPFIIOORCYHOK-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249476;MM249476;C=C(CC)C1C(C)C1(F)F;RUABFUQTRAAQJU-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249477;MM249477;C=C(CN)C1C(C)C1(F)F;MGJQIXNLGUROFO-UHFFFAOYSA-N;147.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249478;MM249478;C=C(CO)C1C(C)C1(F)F;JMZAHJTXVADCOO-UHFFFAOYSA-N;148.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249479;MM249479;C=C(CF)C1C(C)C1(F)F;ZNBVROJMAOZFIF-UHFFFAOYSA-N;150.14;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249480;MM249480;CNC(=N)C1C(C)C1(C)C;NBPIZAYTTGQGBZ-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249481;MM249481;CC1C(C(=N)NN)C1(C)C;VWLWVOUFQZVEFK-UHFFFAOYSA-N;141.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249482;MM249482;CC1C(C(=O)NO)C1(C)C;ZBJKBBGFYPRQDM-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249483;MM249483;CNC(=O)C1C(N)C1(C)C;FFVWDGRYYFSNKO-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249484;MM249484;CC1(C)C(O)C1C(=N)NO;FXHQLOYCGNCIIH-UHFFFAOYSA-N;144.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249485;MM249485;CC1C(C(=N)NO)C1(C)N;WPPMMVRLFQGZDF-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249486;MM249486;CC1C(C(=O)NO)C1(C)N;RBKNGJGNWNEZHT-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249487;MM249487;CNC(=O)C1C(N)C1(C)N;KMPOBRWAWFMRIB-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249488;MM249488;CC1C(C(=O)NO)C1(C)O;NRWMBQYTKIBLHB-UHFFFAOYSA-N;145.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249489;MM249489;CNC(=N)C1C(O)C1(C)O;KDNBVMOLGQXIPD-UHFFFAOYSA-N;144.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249490;MM249490;C=C(OC)C1C(C)C1(C)C;PXMBJINNENILGM-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249491;MM249491;COC(=O)C1C(C)C1(C)C;XGOQQTDXOBXHQX-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249492;MM249492;COC(=O)C1C(O)C1(C)N;CYZHRSZGXOAJTK-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249493;MM249493;COC(=O)C1C(O)C1(C)O;OYABLXZODBCLCX-UHFFFAOYSA-N;146.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249494;MM249494;C=C(CN)C1N(C)C1(C)C;VRSGRDGKQSPCNC-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249495;MM249495;C=C(CF)C1N(C)C1(C)C;MUGMQVUCYGGUTF-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249496;MM249496;CC(F)=CCNN=CCO;XTUWBSBRRZDGMN-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249497;MM249497;COCC(C)NN=CCO;FRCSOCKHEZTBNZ-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249498;MM249498;CN1C(C(=N)NN)C1(C)C;XANXRYRDYBSDJE-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249499;MM249499;CC(CC=O)NN=CCO;BZRWKSWKAZKIFQ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249500;MM249500;CC=C(CO)C(=O)N(C)N;BONKEFFGKPJEMC-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249501;MM249501;CN1C(C(=O)NO)C1(C)C;YXVBBTKEAYEGOV-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249502;MM249502;C=C(OC)C1N(C)C1(C)C;RKASFKWYPVPVKD-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249503;MM249503;CCC(=N)N1C(C)C1(C)C;QTGXPUNVXLGACV-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249504;MM249504;CC1N(C(=N)CN)C1(C)C;HKJVLOTXQBBVQJ-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249505;MM249505;CC1N(C(=N)CO)C1(C)C;HAIYKCUZAQHQDK-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249506;MM249506;CCC(=O)N1C(C)C1(C)C;JIPYCFHBRBWVQS-UHFFFAOYSA-N;141.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249507;MM249507;CC1N(C(=O)CO)C1(C)C;ULAAZHBMXVGBEG-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249508;MM249508;CC1N(C(=O)CF)C1(C)C;YMRNIYNVZKBATJ-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249509;MM249509;CNC(=N)N1C(C)C1(C)C;QVOQBHFJVIOIEM-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249510;MM249510;CC1N(C(=N)NN)C1(C)C;GHOZRTKAWWQNQC-UHFFFAOYSA-N;142.21;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249511;MM249511;CNC(=O)N1C(C)C1(C)C;ROEIKOMDJMAOES-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249512;MM249512;CC(NN=CCO)C(F)F;SOZDQIDPBRPLKL-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249513;MM249513;CC1N(C(=O)NO)C1(C)C;GFAVTFBJGWTRJN-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249514;MM249514;COC(=O)N1C(C)C1(C)C;PYFPQUHXMQZWPD-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249515;MM249515;C=CC(=C)C1C(C)C1(C)C;AJZJUVQBQDPJPE-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249516;MM249516;C=C(C=O)C1C(C)C1(C)C;QYUVOQBKKLTGNK-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249517;MM249517;C=C(C#N)C1C(C)C1(C)C;YJIQGPAVLIEZPG-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249518;MM249518;C=CC(=O)C1C(C)C1(C)C;CYVRHWBBCOOZQC-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249519;MM249519;CC1C(C(=O)C=O)C1(C)C;LTUJVHFDXPZUKA-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249520;MM249520;CC1C(C(=O)C#N)C1(C)C;UZJDNOTWSPYJTN-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249521;MM249521;C=CC(=C)C1C(C)C1(C)N;OMHCUBIOXLSXMZ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249522;MM249522;C=CC(=C)C1C(N)C1(C)N;WOGLYHHYITWFGB-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249523;MM249523;C=CC(=C)C1C(O)C1(C)N;JTPVOBFECDPPHD-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249524;MM249524;CC(=O)C(C)NN=CCO;NXBPIQIPEBVOAI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249525;MM249525;C=C(C#N)C1C(C)C1(C)O;XRDNZMNKJGFFBU-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249526;MM249526;CC1C(C(=O)C=O)C1(C)O;LRBXQIIGEKEYDQ-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249527;MM249527;C=CC(=C)C1C(N)C1(C)O;LGCSWEYBOZFXIG-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249528;MM249528;C=C(C=O)C1C(C)C1(C)F;CKUCNCAIHCGCFW-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249529;MM249529;C=CC(=O)C1C(C)C1(C)F;ZZHKHYMNRTWGAP-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249530;MM249530;C=C(C#N)C1C(C)C1(F)F;ZNDXKYFAKKHZIF-UHFFFAOYSA-N;143.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249531;MM249531;C=C(C#N)C1N(C)C1(C)C;GIUHHQWWPYPZFF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249532;MM249532;CC(=NC=O)N(N)C(N)=O;OGLRVZITMVGXTH-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249533;MM249533;C=NOC(C)C1(C)CC1O;OIYUPBIAWKTPMB-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249534;MM249534;C=CC(=N)N1C(C)C1(C)C;GDPGKXBOVNQZGO-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249535;MM249535;CC1N(C(=N)C=O)C1(C)C;JEUNDYOIRCIRLG-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249536;MM249536;CC1N(C(=N)C#N)C1(C)C;ZGRUTODHITTWFB-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249537;MM249537;C=CC(=O)N1C(C)C1(C)C;RQGOPXDINPWFRT-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249538;MM249538;CC1N(C(=O)C=O)C1(C)C;GDYOWZIISMGOSQ-UHFFFAOYSA-N;141.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249539;MM249539;CC1N(C(=O)C#N)C1(C)C;PAFHFYLSAQOLFV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249540;MM249540;C#CC(=C)C1C(C)C1(C)C;XFHXVQWBXHIMIJ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249541;MM249541;C#CC(=O)C1C(C)C1(C)C;NHJJNXIQFLQKGS-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249542;MM249542;C#CC(=C)C1C(C)C1(C)N;KTSWWGYBXYSUDQ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249543;MM249543;C#CC(=C)C1C(C)C1(C)F;IZELBROFFCKKPH-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249544;MM249544;C#CC(=O)C1C(C)C1(C)F;WXNKRNITWFWMOU-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249545;MM249545;C#CC(=O)C1C(C)C1(F)F;DATFMYPUIWNQKB-UHFFFAOYSA-N;144.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249546;MM249546;C#CC(=C)C1N(C)C1(C)C;FNKJHVQBABXLCA-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249547;MM249547;C=CC(C=C)(C=NN)CO;MBMULQLJCRJLLK-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249548;MM249548;C#CC(=N)N1C(C)C1(C)C;XESANMXJRJWPBC-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249549;MM249549;C#CC(=O)N1C(C)C1(C)C;FYAGHCRQNIWZFF-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249550;MM249550;CCC(C)CC1CC1(C)C;DECWPRCGISIFBM-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249551;MM249551;CCC(N)CC1CC1(C)C;DZCHKBWKKFBBNP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249552;MM249552;CC1(C)CC1CC(N)CF;PQZAJWRGGWMTED-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249553;MM249553;C=CC(=NN(C)C=O)NO;ANYQUORFSKVFOG-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249554;MM249554;CC1(C)CC1CC(O)CN;JCLGDSHVFQMVDL-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249555;MM249555;CC1(C)CC1CC(O)CO;WJPQVRDTNFDOTC-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249556;MM249556;CC1(C)CC1CC(O)CF;MINGBVHDIBXBOB-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249557;MM249557;CC1(C)CC1CC(F)CN;DJAVFHQENNFECV-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249558;MM249558;CC1(C)CC1CC(F)CO;RUXPWWLFRZLWSF-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249559;MM249559;CC1(C)CC1CC(F)CF;YAIFXXFMRATPHO-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249560;MM249560;CCC(C)CC1CC1(C)N;BAXOXUPVNHZMHB-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249561;MM249561;CCC(O)CC1CC1(C)N;VKXQNICFAAJOEZ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249562;MM249562;CC1(N)CC1CC(O)CN;SULBFVCGRWATFU-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249563;MM249563;CC1(N)CC1CC(F)CN;PTRDBAXOPDWRAB-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249564;MM249564;CC1(N)CC1CC(F)CO;FXEWBWPTIQNQGU-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249565;MM249565;NN=C(C=C(N)CF)NO;LTNJDHYSSCSGMB-UHFFFAOYSA-N;148.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249566;MM249566;CC1(O)CC1CC(N)CN;MFKCEXCFXDETCL-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249567;MM249567;CCC(O)CC1CC1(C)O;YYKRNIAXMBNFSA-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249568;MM249568;CC1(O)CC1CC(F)CF;VULWIFNPMCBKDZ-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249569;MM249569;CCC(C)CC1CC1(C)F;DNXIUDVLOOPEGS-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249570;MM249570;CC1(F)CC1CC(N)CF;NJJAQQLLPBQHNJ-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249571;MM249571;CCC(O)CC1CC1(C)F;WOVLJARZNIJQQE-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249572;MM249572;CC1(F)CC1CC(O)CO;PCZJYVFATFKNGW-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249573;MM249573;CCC(F)CC1CC1(C)F;GGZUJANKRNREKR-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249574;MM249574;CC1(F)CC1CC(F)CN;JHMKIVQIESXDHI-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249575;MM249575;CC1(F)CC1CC(F)CF;SEMRYFRZCGUDKO-UHFFFAOYSA-N;152.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249576;MM249576;CCC(C)CC1CC1(F)F;YEORWKWHGHCOEV-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249577;MM249577;CCC(N)CC1CC1(F)F;NQISWYQQWHQCQU-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249578;MM249578;NC(CF)CC1CC1(F)F;GNTSODUJALSTAH-UHFFFAOYSA-N;153.15;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249579;MM249579;CCC(O)CC1CC1(F)F;NGTMATJMVHTRDU-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249580;MM249580;CNC(C)CC1CC1(C)N;LUFXWWXFETVAPY-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249581;MM249581;CNC(C)CC1CC1(C)O;IACFCVVPVPDXTO-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249582;MM249582;COC(C)CC1CC1(C)C;CEDILSMGJCEION-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249583;MM249583;COC(C)OC1CC1(C)C;NINGCEGYVKNZAQ-UHFFFAOYSA-N;144.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249584;MM249584;COC(C)OC1CC1(C)N;KOFJJYILKRQZJC-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249585;MM249585;COC(C)OC1CC1(C)O;XRRWSIQZACZXQR-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249586;MM249586;CC(CN)CC1NC1(C)C;KPOHZCZMYMJMJW-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249587;MM249587;CCC(N)CC1NC1(C)C;YHOFBDRDYJGYII-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249588;MM249588;CC1(C)NC1CC(N)CN;LVTILPPSQGVGPT-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249589;MM249589;CC1(C)NC1CC(N)CO;IAAWHYHXSPOBGZ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249590;MM249590;CC1(C)NC1CC(N)CF;UPNFTYBCMYHXKW-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249591;MM249591;CC1(C)NC1CC(O)CN;BXLFDUWTCIBDFQ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249592;MM249592;CC1(C)NC1CC(F)CN;AAJNRTXIJYMYCR-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249593;MM249593;CNC(C)CC1NC1(C)C;JJRNXSXGUOEWMN-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249594;MM249594;CCN(C)CC1NC1(C)C;LRQMXFADFNLMNC-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249595;MM249595;CCC(C)CC1OC1(C)C;USJOMMKWWZOGJH-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249596;MM249596;CC1(C)OC1CC(N)CN;YVRCNGMAZKHRHF-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249597;MM249597;CCC(O)CC1OC1(C)C;XABJUYASMYZBKQ-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249598;MM249598;CCN(C)CC1OC1(C)C;YEBTVLVSFLBMSD-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249599;MM249599;CCC(N)CN1CC1(C)C;SWOVJFJZDRCZJE-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249600;MM249600;CCC(F)CN1CC1(C)C;XBWIGIFSNOJBRR-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249601;MM249601;CC(C=O)CC1CC1(C)C;LHEZBMUFJZHWJR-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249602;MM249602;CC(C#N)CC1CC1(C)C;WGRHTBGNHLHYBY-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249603;MM249603;C=CC(N)CC1CC1(C)C;ZHKQEZADIFCIJQ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249604;MM249604;C=NN(C)C=C(C=O)CO;KMSGTMKAQDCXIY-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249605;MM249605;CC1(C)CC1CC(O)C=O;BPBAXWQHMAUWBT-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249606;MM249606;CC1(C)CC1CC(O)C#N;ZODYGMCIXZQAHC-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249607;MM249607;C=CC(F)CC1CC1(C)C;WTKQSKSDAMBMHJ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249608;MM249608;CC1(C)CC1CC(F)C=O;GDWKMGHTXDSBFA-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249609;MM249609;CC1(C)CC1CC(F)C#N;XNRAQKRDANUSOI-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249610;MM249610;C=CC(C)CC1CC1(C)N;RLDPEADMXZAAGL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249611;MM249611;C=CC(O)CC1CC1(C)N;VSRLMHJCCUFIBW-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249612;MM249612;C=CC(F)CC1CC1(C)N;PRXCFPWHRXSKQE-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249613;MM249613;NN=C(C=CC(F)F)NO;IGOULSLOVOSUCO-UHFFFAOYSA-N;151.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249614;MM249614;C=CC(N)CC1CC1(C)O;SGESBLKJLFHYIZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249615;MM249615;C=CC(O)CC1CC1(C)O;LTDHRUYKWBVXAY-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249616;MM249616;CC1(O)CC1CC(O)C=O;SGBAWJPOMHGVGQ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249617;MM249617;CC1(O)CC1CC(O)C#N;KCGVFYOOXVBQAK-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249618;MM249618;CC1(O)CC1CC(F)C#N;NOLUTVZCQLCIPZ-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249619;MM249619;C=CC(N)CC1CC1(C)F;HDIYVSBBPYFHQF-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249620;MM249620;CC1(F)CC1CC(O)C#N;VSRKRNSQWWOSND-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249621;MM249621;C=CC(F)CC1CC1(C)F;XTAUBJYCUHAYQL-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249622;MM249622;CC1(F)CC1CC(F)C=O;MBNFNERQCCHVKB-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249623;MM249623;CC1(F)CC1CC(F)C#N;KBIVGUJUMYNRQK-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249624;MM249624;C=CC(F)CC1CC1(F)F;ATMORNSESWVXPX-UHFFFAOYSA-N;150.14;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249625;MM249625;N#CC(F)CC1CC1(F)F;CSHAGEUEIQAQEA-UHFFFAOYSA-N;149.12;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249626;MM249626;C=CC(C)NC1CC1(C)C;QHYRSYMYGQBNNN-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249627;MM249627;CC(C#N)NC1CC1(C)C;JDNZNCXWPYELOE-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249628;MM249628;C=CC(C)NC1CC1(C)N;VZZBDNASESQGGI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249629;MM249629;C=CC(C)NC1CC1(C)O;ZWDJFCKTZOPPKK-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249630;MM249630;C=C(F)C=CC(=NN)NO;NCRKNXCTIQYFKW-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249631;MM249631;CC(C#N)NC1CC1(C)F;FRNUPXAZXDQFDJ-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249632;MM249632;CN(C=N)CC1CC1(C)C;AKOPKYYSMCOGKS-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249633;MM249633;CN(C=O)CC1CC1(C)C;KZIVDWYNMRETBP-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249634;MM249634;CC1(C)CC1CN(N)C=N;DNYAEHKGXRXJIF-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249635;MM249635;CC1(C)CC1CN(N)C=O;KJRQQIMTHAVVGH-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249636;MM249636;CC1(C)CC1CN(O)C=N;QWZHDUPHAYRLBD-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249637;MM249637;CC1(C)CC1CN(O)C=O;DVGFSBUKTHQAGV-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249638;MM249638;CN(C=N)CC1CC1(C)N;GIHOULOSVKDQLR-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249639;MM249639;CN(C=O)CC1CC1(C)N;NNGDKAXBSNODFZ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249640;MM249640;CC1(N)CC1CN(O)C=N;XRPJPVNLHCKPNJ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249641;MM249641;CN(C=N)CC1CC1(C)O;UVZNQHFAIBOXFN-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249642;MM249642;CN(C=O)CC1CC1(C)O;DKXWEFPSZKONMH-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249643;MM249643;CNC(=O)N(C)C(=N)CF;DLMYHDPAXXLGHX-UHFFFAOYSA-N;147.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249644;MM249644;CC1(O)CC1CN(O)C=N;NCECGLCHSNWZLG-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249645;MM249645;CC1(O)CC1CN(O)C=O;CHXXUYUAZFZDAC-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249646;MM249646;CN(C=O)CC1CC1(C)F;IHABDGZGHSJWFN-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249647;MM249647;CC1(F)CC1CN(N)C=N;RHGYZSKZTWGZDK-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249648;MM249648;CC1(F)CC1CN(N)C=O;JOCDBYITRLNLHD-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249649;MM249649;CC1(F)CC1CN(O)C=N;DEYGMWIYQGWGBD-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249650;MM249650;N=CN(N)CC1CC1(F)F;MZDLZYHPVRERCV-UHFFFAOYSA-N;149.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249651;MM249651;NN(C=O)CC1CC1(F)F;HMXQZHOLVXOODC-UHFFFAOYSA-N;150.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249652;MM249652;O=CN(O)CC1CC1(F)F;PVVPEOQHYRDTRQ-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249653;MM249653;C=NN(C)CC1CC1(C)C;SYIWZNGHHDNPMD-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249654;MM249654;C=NN(C)CC1CC1(C)N;AYEHSXBQYXMUDH-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249655;MM249655;C=NN(C)CC1CC1(F)F;VREQWPNADIEYFK-UHFFFAOYSA-N;148.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249656;MM249656;CN(C=N)NC1CC1(C)C;CSGOEANOIADGFP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249657;MM249657;CN(C=N)NC1CC1(C)N;OPSLROIWDANLJT-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249658;MM249658;C=C(CO)C(=O)N(N)C=N;NUAFDTZSEIZEJB-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249659;MM249659;CN(C=O)OC1CC1(C)C;RFKQKBPNNLDJIX-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249660;MM249660;CN(C=O)OC1CC1(C)N;LBQYOLOIPXILCB-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249661;MM249661;C=CC(N)CC1NC1(C)C;CKVDHZTVMDGECU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249662;MM249662;C=C(CO)C(=O)N(N)C=O;LMAZXOOBRYNYQJ-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249663;MM249663;CN(C=N)CC1NC1(C)C;GIORHJRBOBGEOX-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249664;MM249664;CC1(C)NC1CN(N)C=N;HTIOCMPZAHJQLC-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249665;MM249665;C=CC(C)CC1OC1(C)C;ZVBNEACEOTZLLF-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249666;MM249666;CC(C#N)CC1OC1(C)C;BXMFACQBWLOAKD-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249667;MM249667;C=CC(N)CC1OC1(C)C;CNEGLSVUDOBHEY-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249668;MM249668;CC1(C)OC1CC(O)C#N;WTUVCQKETCEZNR-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249669;MM249669;C=CC(F)CC1OC1(C)C;IMXKPCBANUQQCC-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249670;MM249670;CC1(C)OC1CC(F)C=O;FZJIIDFWPUTMOQ-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249671;MM249671;CC1(C)OC1CC(F)C#N;BFYXHZFSKQVIDH-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249672;MM249672;CN(C=N)CC1OC1(C)C;AKHPHNWWSHSGCQ-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249673;MM249673;CN(C=O)CC1OC1(C)C;RXLZCVJKHVJPAU-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249674;MM249674;CC1(C)OC1CN(N)C=N;SULAXLXMOOALBX-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249675;MM249675;CC1(C)OC1CN(N)C=O;OSDNAINCYFDXLC-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249676;MM249676;C=NN(C)CC1OC1(C)C;ZQJKPHXHDFKCRN-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249677;MM249677;C=CC(F)CN1CC1(C)C;YAIIUGZAZMELHJ-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249678;MM249678;C#CC(C)CC1CC1(C)C;HHWUJAVBZJTKBK-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249679;MM249679;C#CC(N)CC1CC1(C)C;RSUCCTRWBOAVNF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249680;MM249680;C#CC(O)CC1CC1(C)C;IYXIYTVITBWNDS-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249681;MM249681;C#CC(F)CC1CC1(C)C;UMWZREQCXBJOMW-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249682;MM249682;C#CC(C)CC1CC1(C)N;DZVQPWCATSIUGY-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249683;MM249683;C#CC(N)CC1CC1(C)N;HRSGYAJQDJCPRZ-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249684;MM249684;C#CC(O)CC1CC1(C)N;ZEQWVJFDTIAEOX-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249685;MM249685;C#CC(F)CC1CC1(C)N;CYWWLUJSULAERX-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249686;MM249686;CN(CC=NN)N=CCO;YNYVSYQTUSIIRJ-UHFFFAOYSA-N;144.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249687;MM249687;C#CC(N)CC1CC1(C)O;CVMNLYQWOIBMBR-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249688;MM249688;C#CC(F)CC1CC1(C)O;QOXZBFPECLHOHY-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249689;MM249689;C#CC(C)CC1CC1(C)F;NYXOJANNIPEJAL-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249690;MM249690;C#CC(N)CC1CC1(C)F;XACRHDNRDBPWMM-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249691;MM249691;C#CC(F)CC1CC1(C)F;PYWDBAPHPUCXDM-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249692;MM249692;C#CC(N)CC1CC1(F)F;SHYZVBOMSPUHPL-UHFFFAOYSA-N;145.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249693;MM249693;C#CC(O)CC1CC1(F)F;CCWNOFVJNDHMPO-UHFFFAOYSA-N;146.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249694;MM249694;C#CC(C)NC1CC1(C)C;LREPLPUFKROOAZ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249695;MM249695;C#CC(C)NC1CC1(C)N;PATAOWPLYOREDF-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249696;MM249696;C#CC(C)OC1CC1(C)C;UJECDVPWUXUOIG-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249697;MM249697;C#CC(N)CC1NC1(C)C;DEHGMBSEHUCGKI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249698;MM249698;C#CC(N)CC1OC1(C)C;MGIBSLDGGLXIEK-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249699;MM249699;C#CC(O)CC1OC1(C)C;UBPHKKSRGDOCJB-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249700;MM249700;C#CC(F)CC1OC1(C)C;HWPYPTHPYHABNP-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249701;MM249701;C=C(CC)CC1CC1(C)C;LKPRISZAAXJVBO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249702;MM249702;C=C(CN)CC1CC1(C)C;RJZOJPQRDVECBR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249703;MM249703;C=C(CO)CC1CC1(C)C;NUEHJBXNYKJYKO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249704;MM249704;C=C(CF)CC1CC1(C)C;JKDLORFRUSJRIQ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249705;MM249705;CCC(=O)CC1CC1(C)C;RENSRJKXBTWAAH-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249706;MM249706;CC1(C)CC1CC(=O)CO;CHXXBRXZSOFCEA-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249707;MM249707;CC1(C)CC1CC(=O)CF;RPIJFXPHEOZKJI-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249708;MM249708;C=C(CC)CC1CC1(C)N;UDZMPJWNVBAYEQ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249709;MM249709;C=C(CN)CC1CC1(C)N;STNQOEVCGFCFBS-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249710;MM249710;C=C(CO)CC1CC1(C)N;OZBYZDHISMALMW-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249711;MM249711;C=C(CF)CC1CC1(C)N;SSCZFJPHYGBZFN-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249712;MM249712;CC#CCN(C)N=CCO;CMTNCMMLBXCHRY-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249713;MM249713;C=C(CN)CC1CC1(C)O;JTDSWVMQKUEIJZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249714;MM249714;COC(C)CNN=CCO;NOIGKBFWHYSVJT-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249715;MM249715;N#CC(F)CNN=CCO;OFRCFCMEFWSPED-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249716;MM249716;CCC(=O)CC1CC1(C)O;YKSBIPAZORJGLD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249717;MM249717;CC1(O)CC1CC(=O)CO;MBIUVYAJPLLIPH-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249718;MM249718;CC1(O)CC1CC(=O)CF;QANHMNURVDDEDV-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249719;MM249719;C=C(CN)CC1CC1(C)F;ACVBSXJSCZOXOE-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249720;MM249720;C=C(CF)CC1CC1(C)F;ILNNYGOOQNPRSY-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249721;MM249721;CCC(=O)CC1CC1(C)F;KWNPQBNCTIOJID-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249722;MM249722;CC1(F)CC1CC(=O)CO;MRDLYYGVKWPFDO-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249723;MM249723;C=C(CF)CC1CC1(F)F;FGJXXGXQIDNOQZ-UHFFFAOYSA-N;150.14;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249724;MM249724;O=C(CO)CC1CC1(F)F;DLNYUWOMADRETO-UHFFFAOYSA-N;150.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249725;MM249725;CNC(=N)CC1CC1(C)C;PEHZARFRPXJVPA-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249726;MM249726;CC1(C)CC1CC(=N)NN;HOWPMZQHFNDOQL-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249727;MM249727;CC1(C)CC1CC(=N)NO;RBVJHJCPAKSGHE-UHFFFAOYSA-N;142.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249728;MM249728;C#CC(F)CNN=CCO;IGNWKXUPORQHOG-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249729;MM249729;C=C(CNN=CCO)OC;NDIKHPQJYYGWOS-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249730;MM249730;CC1(C)CC1CC(=O)NO;YYAOEBGKPDMLPZ-UHFFFAOYSA-N;143.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249731;MM249731;CNC(=N)CC1CC1(C)N;JGSIFHAAXVBPHJ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249732;MM249732;CC1(N)CC1CC(=N)NO;XFIJVROBXNFHOU-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249733;MM249733;CNC(=O)CC1CC1(C)N;GOLQEPKYXVKWSN-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249734;MM249734;CC1(N)CC1CC(=O)NO;QZDHZUBOYBLOFI-UHFFFAOYSA-N;144.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249735;MM249735;CNC(=N)CC1CC1(C)O;MCEVMMZNGKHVFX-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249736;MM249736;CC1(O)CC1CC(=N)NO;HVBVEIQGXWGDGZ-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249737;MM249737;CNC(=O)CC1CC1(C)O;RQCLYUCYRNZGOZ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249738;MM249738;C=C(C=O)CNN=CCO;WPPXEYUFHBCDLX-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249739;MM249739;CNC(=N)CC1CC1(C)F;YYNUHWLQOBZLFB-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249740;MM249740;CC1(F)CC1CC(=N)NN;OAAVORSKBWNXFL-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249741;MM249741;CC1(F)CC1CC(=N)NO;BLFDSFYUQWYCGU-UHFFFAOYSA-N;146.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249742;MM249742;CNC(=O)CC1CC1(C)F;HKSJTSKGGUOQRP-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249743;MM249743;C=CC(=O)CNN=CCO;KSIFHGFUMHOVFH-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249744;MM249744;CNC(=O)CC1CC1(F)F;FKGCLLCFXVRUPC-UHFFFAOYSA-N;149.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249745;MM249745;C=C(CC1CC1(C)C)OC;KZHRWQMPFXIXGG-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249746;MM249746;COC(=O)CC1CC1(C)C;ZZIWRNMKIRBSDX-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249747;MM249747;C=C(CC1CC1(C)N)OC;WFJUJTQPMYKAKH-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249748;MM249748;COC(=O)CC1CC1(C)N;CXWCQMVDIATVDX-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249749;MM249749;C=C(CC1CC1(C)O)OC;MSQHYBUHGUDUHW-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249750;MM249750;COC(=O)CC1CC1(C)O;IDJGDLPRUQJTED-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249751;MM249751;C=C(CC1CC1(C)F)OC;AQFPKMXRNTUYEB-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249752;MM249752;COC(=O)CC1CC1(C)F;KUTLNWZJWBLWQH-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249753;MM249753;C=C(CC1CC1(F)F)OC;HNUBIWFAFAIQPV-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249754;MM249754;COC(=O)CC1CC1(F)F;UPOJOPFNEPOANZ-UHFFFAOYSA-N;150.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249755;MM249755;CC1(C)CC1NC(=N)CN;CAHGCZDXZOAQHL-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249756;MM249756;CCC(=N)NC1CC1(C)O;HXFQJLHSPIEHJR-UHFFFAOYSA-N;142.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249757;MM249757;CCC(=N)NC1CC1(C)F;DPMIWUWLWFHXKU-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249758;MM249758;CC1(C)CC1NC(=O)NO;HXBPGCWVNGKQLO-UHFFFAOYSA-N;144.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249759;MM249759;CC1(F)CC1NC(=O)NO;BBXUCRRAAGEJTR-UHFFFAOYSA-N;148.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249760;MM249760;C=C(CC)OC1CC1(C)C;UEEYWDUKWSZYGK-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249761;MM249761;C=C(CC)OC1CC1(C)N;BIMHDKGOWLVXBU-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249762;MM249762;C=C(CN)CC1NC1(C)C;NBJUDTVUKWABAC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249763;MM249763;CNC(=N)CC1NC1(C)C;OKGYOLTXWSVHLB-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249764;MM249764;CC1(C)NC1CC(=N)NN;FWHBOVXUUOMJBK-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249765;MM249765;C=C(CC)CC1OC1(C)C;OYBWPRJBHOLPCP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249766;MM249766;C=C(CN)CC1OC1(C)C;IGYNSXHDSTVHLB-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249767;MM249767;C=C(CO)CC1OC1(C)C;LMAZGFIWVCSAMS-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249768;MM249768;C=C(CF)CC1OC1(C)C;KOZDALOAVNHCOT-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249769;MM249769;CCC(=O)CC1OC1(C)C;YNAXYXOEGZQYQB-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249770;MM249770;CNC(=N)CC1OC1(C)C;OZKIJPGNOYEXSC-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249771;MM249771;CC1(C)OC1CC(=N)NN;OZRZMAFTCMNOHE-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249772;MM249772;CC1(C)OC1CC(=N)NO;MGNSFTYNFMXFQC-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249773;MM249773;CNC(=O)CC1OC1(C)C;ZJOFJRKBNYISDW-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249774;MM249774;CC=C(F)CNN=CCO;XSWNWNKFAXTOTO-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249775;MM249775;CC1(C)OC1CC(=O)NO;WWTFCOJQYCZVFO-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249776;MM249776;C=C(CC1OC1(C)C)OC;AAZGOFRCRAPBBA-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249777;MM249777;COC(=O)CC1OC1(C)C;VGHVOVPUGNBRHK-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249778;MM249778;C=C(CN)CN1CC1(C)C;ILDUAHYHBGNAQH-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249779;MM249779;OCC=NNCC(F)=CF;YSRGJQMAVKOTBO-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249780;MM249780;CCC(=O)CN1CC1(C)C;DHIBDPWWDVQPJJ-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249781;MM249781;C=C(C=NNCCO)CO;XJAHJVDHKYTRJV-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249782;MM249782;C=CC(=C)CC1CC1(C)C;SZKKXYHTCWXRFJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249783;MM249783;C=C(C=O)CC1CC1(C)C;JZVCHBQYJFHBQU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249784;MM249784;C=C(C#N)CC1CC1(C)C;LDNBBLFFVKRZDB-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249785;MM249785;C=CC(=O)CC1CC1(C)C;DXOPUJQVDUINNQ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249786;MM249786;CC1(C)CC1CC(=O)C#N;YQXJGWDZUQABRB-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249787;MM249787;C=CC(=C)CC1CC1(C)N;PYPPQVGSRSOUFT-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249788;MM249788;COCON=CC(=N)NO;YKIJVYXLDMIDMT-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249789;MM249789;N#CCON=CC(=N)NO;DXXRSFRTGWZFQE-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249790;MM249790;N=C(C=NOC=NN)NO;ZCTSJSOTTJUMMI-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249791;MM249791;C=CC(=O)CC1CC1(C)O;HDYHTSSTDUBSHF-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249792;MM249792;CC1(O)CC1CC(=O)C=O;OJPIFXRSHOGKOJ-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249793;MM249793;CC1(O)CC1CC(=O)C#N;AMNWNUVYWFMPLC-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249794;MM249794;C=CC(=C)CC1CC1(C)F;XIBUUBDYNUFMEG-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249795;MM249795;C=C(C=O)CC1CC1(C)F;JTSXFNVWXGSVKZ-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249796;MM249796;C=C(C#N)CC1CC1(C)F;CKIMKZVRNMGICJ-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249797;MM249797;C=CC(=O)CC1CC1(C)F;LXYWMLYBBDYKIZ-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249798;MM249798;CC1(F)CC1CC(=O)C#N;BNNKVAGLOQUOIU-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249799;MM249799;C=CC(=C)CC1CC1(F)F;AAOCLFDDFWIWEV-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249800;MM249800;C=CC(=O)CC1CC1(F)F;MXQCHLBYKXDYHF-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249801;MM249801;O=CC(=O)CC1CC1(F)F;QAVNDZZVTNPANM-UHFFFAOYSA-N;148.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249802;MM249802;N#CC(=O)CC1CC1(F)F;KFSKUKANHWMXKT-UHFFFAOYSA-N;145.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249803;MM249803;C=CC(=N)NC1CC1(C)C;SNTGQBXNEJIGGA-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249804;MM249804;CC1(C)CC1NC(=O)C#N;RHDXOSJAVGTKBB-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249805;MM249805;C=CC(=N)NC1CC1(C)N;SJKQABAPSBUYHR-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249806;MM249806;C=CC(=N)NC1CC1(C)O;OAJMVOUMQRYUQZ-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249807;MM249807;C=CC=NN=CC(=N)NO;OJIKIYXURAWOHQ-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249808;MM249808;CC1(F)CC1NC(=O)C#N;YEAJQLCZLFTQJW-UHFFFAOYSA-N;142.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249809;MM249809;N#CC(=O)NC1CC1(F)F;DGPTXKIUAISUSC-UHFFFAOYSA-N;146.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249810;MM249810;C=CC(=C)OC1CC1(C)C;SGAUQWJEKZAQAZ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249811;MM249811;C=C(C#N)OC1CC1(C)O;JHFHIIODXHJXSS-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249812;MM249812;C=C(C#N)OC1CC1(F)F;ROMCSWNRRAEIQA-UHFFFAOYSA-N;145.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249813;MM249813;CN=CN(C=N)C(=O)NC;IZPCDGPRSTYJDF-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249814;MM249814;C=CC(=C)CC1OC1(C)C;NVDMUHDBTGELJS-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249815;MM249815;C=C(C=O)CC1OC1(C)C;BFQGRJQXRQPRNB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249816;MM249816;C=C(C#N)CC1OC1(C)C;GUYCTYOXWAGJRI-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249817;MM249817;C=CC(=O)CC1OC1(C)C;WTSXCDIQYWVCFB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249818;MM249818;CC1(C)OC1CC(=O)C=O;CUOLTBHTESIUCD-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249819;MM249819;CC1(C)OC1CC(=O)C#N;PMLHFXMDDCEARN-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249820;MM249820;C=C(C=O)CN1CC1(C)C;URONCXALCCNUKT-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249821;MM249821;CC1(C)CN1N=C(N)C=O;VWAOVOCUBUPEOJ-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249822;MM249822;C=CCN(CC)N=CCO;CFYMUABOWCELMF-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249823;MM249823;C#CC(=C)CC1CC1(C)C;KBZUOYXYNOEXPM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249824;MM249824;C#CC(=O)CC1CC1(C)C;RWNQMUJNEFZCOV-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249825;MM249825;C#CC(=C)CC1CC1(C)N;LPRIWUQXHWPZTA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249826;MM249826;C#CCN(CC)N=CCO;WITPSQIJHVQFPV-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249827;MM249827;C#CC(=O)CC1CC1(C)O;FYJDANXHSMTWHZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249828;MM249828;C#CC(=C)CC1CC1(C)F;XKGPGHPVHWPZBB-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249829;MM249829;C#CC(=O)CC1CC1(C)F;QRIRBWSQVQYBOF-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249830;MM249830;C#CC(=C)CC1CC1(F)F;MODPLDHCTAPMTD-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249831;MM249831;C#CC(=O)CC1CC1(F)F;BILBJJJEESBPDG-UHFFFAOYSA-N;144.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249832;MM249832;C#CC(=N)NC1CC1(C)N;OFUJCOZEKKQBLZ-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249833;MM249833;C#CC(=O)NC1CC1(C)N;GXFKBPRSAFTQEJ-UHFFFAOYSA-N;138.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249834;MM249834;C#CC(=N)NC1CC1(C)O;HWFQYNSOMWIYQT-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249835;MM249835;C#CC(=N)NC1CC1(C)F;ZCNZUIJIDRXVIA-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249836;MM249836;C#CC(=N)NC1CC1(F)F;ZRSHPELYVFRNMC-UHFFFAOYSA-N;144.12;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249837;MM249837;C#CC(=C)OC1CC1(F)F;ZJAXVQFKBMYUNP-UHFFFAOYSA-N;144.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249838;MM249838;C#CC(=C)CC1OC1(C)C;HEBHGOCNTUYZBB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249839;MM249839;C#CC(=O)CC1OC1(C)C;LCHZCOPCJJTBJM-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249840;MM249840;C#CC(=N)NN1CC1(C)C;HJIPNPNRXIAYCV-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249841;MM249841;C#CC(=O)NN1CC1(C)C;IZSVRGBBHWPVOA-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249842;MM249842;CC=C(C)CC1CC1(C)C;ZPKMDNKPHSTTQD-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249843;MM249843;CC(=CF)CC1CC1(C)C;MSNKZDDRXUYDDM-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249844;MM249844;CC=C(F)CC1CC1(C)C;JVQKNVFVPUMGRD-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249845;MM249845;CC=C(C)CC1CC1(C)N;YFLTZBANGAGZIM-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249846;MM249846;CC(=CF)CC1CC1(C)N;GGIZKLSSTSXHBL-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249847;MM249847;CC=C(F)CC1CC1(C)N;YUEASDURDXBHKS-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249848;MM249848;CC1(N)CC1CC(F)=CF;VHDXXJXYYILBIS-UHFFFAOYSA-N;147.17;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249849;MM249849;C#CC=CC(=NNC)NO;NKSFNXAEMKJBRK-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249850;MM249850;CNN=CC(=CCO)CO;OMNOVXJQCNPAOJ-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249851;MM249851;CC=C(F)CC1CC1(C)O;KBSMQJGQQFYCHT-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249852;MM249852;CC=C(C)CC1CC1(C)F;LCCSTUSRTUXDRE-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249853;MM249853;CC(=CF)CC1CC1(C)F;IQLGPTTUGGNHCN-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249854;MM249854;CC=C(F)CC1CC1(C)F;YWWMLMSVFMWLAD-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249855;MM249855;CC=C(C)CC1CC1(F)F;UUFOEDLZNJCMQE-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249856;MM249856;CC=C(F)CC1CC1(F)F;BIZOVXVLRIXPJF-UHFFFAOYSA-N;150.14;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249857;MM249857;CC(CC1CC1(C)C)=NN;YVXLTTTVAZLTSW-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249858;MM249858;CC(CC1CC1(C)C)=NO;YAMWRAHHXMAKNG-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249859;MM249859;CC(CC1CC1(C)N)=NO;SXDIKXKBXYKFJV-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249860;MM249860;CC(N)=C(C#N)C(=N)NO;MORMTIBZYRVSJV-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249861;MM249861;CC(CC1CC1(C)O)=NO;VAIRDWYKIFGRII-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249862;MM249862;CC(CC1CC1(C)F)=NN;ARKPKUXUYHKYSB-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249863;MM249863;CC(CC1CC1(C)F)=NO;RDJCYJKODSWQNB-UHFFFAOYSA-N;145.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249864;MM249864;CC(CC1CC1(F)F)=NN;NEMVCWSOTCUQPW-UHFFFAOYSA-N;148.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249865;MM249865;CC(CC1CC1(F)F)=NO;NSXXJHUQJOUXTN-UHFFFAOYSA-N;149.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249866;MM249866;CC=C(C)OC1CC1(C)C;QJZKGLHSJFGXOZ-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249867;MM249867;CC(=CF)OC1CC1(C)N;MTRZUOBIJSKPKH-UHFFFAOYSA-N;145.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249868;MM249868;CC=C(C)CC1OC1(C)C;XZUDSHUIVSPPBQ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249869;MM249869;CC(=CF)CC1OC1(C)C;RDUSYNYZNARLIJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249870;MM249870;CC=C(F)CC1OC1(C)C;PLAVZKWUCUEYMY-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249871;MM249871;CC1(C)OC1CC(F)=CF;ZOYLELMSJUABKH-UHFFFAOYSA-N;148.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249872;MM249872;CC(CC1OC1(C)C)=NN;RGVBFGALIDNZFJ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249873;MM249873;CC(CC1OC1(C)C)=NO;OSEWUOUEHZVADB-UHFFFAOYSA-N;143.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249874;MM249874;CCC1CC(C)C(C)(C)C1;OVBUHJNVFMLGAQ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249875;MM249875;CCC1CC(C)C(C)(N)C1;DSANXLZUEONNSK-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249876;MM249876;CC1CC(CN)CC1(C)N;GLKVAXYELLZVAS-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249877;MM249877;CC1(N)CC(CN)CC1N;AKDCEEAHFJRBHT-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249878;MM249878;CC1(O)CC(CN)CC1N;MDXQLOKYCFFZBP-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249879;MM249879;CCC1CC(C)C(C)(F)C1;VSVOGZKENYRCGK-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249880;MM249880;CC1CC(CO)CC1(C)F;DHLAEDYPTHGCEL-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249881;MM249881;CNC1CC(C)C(C)(C)C1;LYCRYEAFNQARLN-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249882;MM249882;CNC1CC(N)C(C)(C)C1;RVKLPADXQHADIO-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249883;MM249883;CNC1CC(C)C(C)(N)C1;YQMIJQICFKJJHF-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249884;MM249884;CNC1CC(N)C(C)(N)C1;XRJOJHOEBDBTPJ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249885;MM249885;CCC1CC(C)(N)C(C)N1;SBKUKUXONMRAQD-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249886;MM249886;CC1NC(CN)CC1(C)N;XGZOINMWVKGGLQ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249887;MM249887;CC1CC(CN)NC1(C)C;ZSZNPBFPBJZHBT-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249888;MM249888;CC1(C)NC(CN)CC1N;QRSFXSLKPPJGPW-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249889;MM249889;CC1CC(CN)OC1(C)C;ITSFYYOYCZRWFS-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249890;MM249890;CCN1CC(C)C(C)(N)C1;ZSKQBXQVNHMXOA-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249891;MM249891;C=CC1CC(C)C(C)(C)C1;UIFONLQDCKSXKE-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249892;MM249892;CC1CC(C#N)CC1(C)C;SDZIKTUTKAJCCM-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249893;MM249893;C=CC1CC(C)C(C)(N)C1;BRJKCMMGLFIWNP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249894;MM249894;N=CN(NCC=O)C(N)=O;AFQYYKXXHJNYKQ-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249895;MM249895;CC1CC(C#N)CC1(C)O;HCWANYPZHSUYPK-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249896;MM249896;C=CC1CC(C)C(C)(F)C1;SLFJWMDRMCZJCA-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249897;MM249897;CC1NC(C=O)CC1(C)C;NSMSESVEUIEXEN-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249898;MM249898;C=CC1CC(C)(N)C(C)N1;NDOBNUNLXPPCMI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249899;MM249899;C=CC1CC(C)C(C)(C)N1;GZKIAKPSIVASMY-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249900;MM249900;C=CC1CC(C)C(C)(C)O1;CROWOVKVKGENKA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249901;MM249901;CC1CC(C=O)OC1(C)C;GHPVPJVEZDNOSN-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249902;MM249902;CC1CC(C#N)OC1(C)C;ATUHCWXZTCPTNU-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249903;MM249903;CC1CN(C=N)CC1(C)C;FINZZOBVMYWSRK-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249904;MM249904;CC1CN(C=O)CC1(C)C;MJZASOBJCNUITH-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249905;MM249905;CC1(C)CN(C=N)CC1N;APFFULGONFSLQH-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249906;MM249906;CC1CN(C=N)CC1(C)N;GNOSPMAMWLTSBW-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249907;MM249907;CC1CN(C=O)CC1(C)N;IRCPNEHIFCMFJH-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249908;MM249908;CC1CN(C=N)CC1(C)O;JVIIONXLAVDSJB-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249909;MM249909;CC1CN(C=O)CC1(C)O;PETCBAJTNPDUEJ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249910;MM249910;CC1CN(C=N)CC1(C)F;QJBRDZSBNTWHPB-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249911;MM249911;C=NN1CC(C)C(C)(C)C1;DUZRDTQHIBAEBG-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249912;MM249912;C=NN1CC(C)C(C)(N)C1;FDKJJAUQVQZCGP-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249913;MM249913;C=NN1CC(C)C(C)(F)C1;PDXTVJOXYPPMRT-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249914;MM249914;CC1NN(C=N)CC1(C)C;BAXIJEBTVNPYPR-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249915;MM249915;CC1NN(C=O)CC1(C)C;VSYWPYDYBNUSMA-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249916;MM249916;CC1NN(C=N)CC1(C)N;QDNVIQGOCWUEOO-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249917;MM249917;CC1NN(C=N)CC1(C)F;RLCUMGCJFLYJRL-UHFFFAOYSA-N;145.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249918;MM249918;CC1NN(C=O)CC1(C)F;RKZLPLBOOOAGLM-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249919;MM249919;CC1CN(C=N)NC1(C)C;DURFHQXJGQCDCK-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249920;MM249920;CC1CN(C=O)NC1(C)C;ZCLFUHXPABJROU-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249921;MM249921;CC1(C)NN(C=N)CC1N;ZIBVLHGPAYUDKA-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249922;MM249922;CC1CN(C=O)OC1(C)C;LRARTXUUYQHTGO-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249923;MM249923;C=CC1CN(C)C(C)(C)C1;UXGPKDNCUWMNBE-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249924;MM249924;C#CC1CC(C)C(C)(C)C1;WLZLHCBWOYHMMB-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249925;MM249925;C#CC1CC(C)C(C)(N)C1;IEQPQFXEKAKHMI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249926;MM249926;CCN(N=CCO)C(C)C;ZURNGDCWKAZNGK-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249927;MM249927;C#CC1CC(C)(C)C(C)N1;QXQDMRLRMBIDPM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249928;MM249928;C#CC1CC(C)(O)C(C)N1;JGJYQIDKJBSYFM-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249929;MM249929;C#CC1CC(C)C(C)(C)N1;PILJFRGJKZSQBS-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249930;MM249930;C#CC1CC(C)C(C)(C)O1;YSLILYBWDPWVIF-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249931;MM249931;C=C1CC(CN)CC1(C)C;IQYNKVBZJLYZKJ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249932;MM249932;CCN=CN(OC)C(N)=O;SNVNPNCXKSKMGJ-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249933;MM249933;C=C1CC(CN)CC1(C)N;FBTWDINWMUJTFR-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249934;MM249934;C=C1CC(CN)CC1(C)O;ITFITEDFOWFERI-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249935;MM249935;C=C1CC(CO)CC1(C)O;GBHUZVQFXOXEGL-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249936;MM249936;C=C1CC(OC)CC1(C)C;LUBTUSCVGHLXCN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249937;MM249937;C=C1CC(OC)CC1(C)N;HIMKWXMTVFOGFL-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249938;MM249938;C=C1CC(OC)CC1(C)O;GHVPKTZVVCRWQC-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249939;MM249939;CCC1CC(C)(N)C(=N)N1;YCSASZBQORRIAY-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249940;MM249940;C=C1CC(CC)NC1(C)C;PGTKGHIXQPIQGX-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249941;MM249941;C=C1CC(CN)NC1(C)C;LKILCGICARNFRH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249942;MM249942;C=C1CC(CO)NC1(C)C;JYGDSESBOAHIQB-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249943;MM249943;C=C1CC(CC)OC1(C)C;PZFLSAYPCNSGLX-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249944;MM249944;C=C1CC(CN)OC1(C)C;YTRQUSWTLIJHNU-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249945;MM249945;C=C1CN(CC)CC1(C)C;LDTOINJQLTZQNF-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249946;MM249946;C=C1CN(CC)CC1(C)N;YGUQVFUWFPXJOR-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249947;MM249947;C=C1CN(CC)CC1(C)O;HBCZJIQLWNCHGW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249948;MM249948;C=CC1CC(=C)C(C)(C)C1;LHGNCHMKMOWLDK-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249949;MM249949;C=C1CC(C=O)CC1(C)C;ARUSRWYSQVDYNC-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249950;MM249950;C=CC1CC(=C)C(C)(N)C1;UWXQYZVRDNLQCB-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249951;MM249951;CNN(C=NC=O)C(N)=O;CTPRIPJKOVHXRI-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249952;MM249952;C=C1CC(C#N)CC1(C)F;KTQSZYMJDUYLFD-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249953;MM249953;C=CC1CC(C)(O)C(=C)O1;ACXFTVBHAIEBJB-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249954;MM249954;C=CC1CC(=C)C(C)(C)N1;NGJUEYLBWCNSAC-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249955;MM249955;C=C1CC(C=O)NC1(C)C;UKAQEMCIQYIBBM-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249956;MM249956;C=C1CC(C#N)NC1(C)C;ADIIKAMPXSCBMP-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249957;MM249957;C=CC1CC(=C)C(C)(C)O1;WCYKYQSRJVKSBP-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249958;MM249958;C=C1CC(C=O)OC1(C)C;KKYOALHWEAMNMP-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249959;MM249959;C=C1CC(C#N)OC1(C)C;UIJKJHLSPPQNNN-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249960;MM249960;C=C1CN(C=N)CC1(C)C;NCGPAYMTEIZNEM-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249961;MM249961;C=C1CN(C=O)CC1(C)C;KYRANWWAZJALPP-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249962;MM249962;C=C1CN(C=N)CC1(C)N;OMSHMFNIMVKLAS-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249963;MM249963;C=C1CN(C=O)CC1(C)N;RONACYTZRNPBGZ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249964;MM249964;C=C1CN(C=N)CC1(C)O;KKGGRLPDPGRJET-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249965;MM249965;C=C1CN(C=O)CC1(C)O;FECLMEIGCUGWCL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249966;MM249966;C=C1CN(C=N)CC1(C)F;BZOWRYRMUFUROS-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249967;MM249967;C=C1CN(C=O)CC1(C)F;BNMAVGFSSMOHKB-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249968;MM249968;C=NN1CC(=C)C(C)(C)C1;TYLXGVVJSAYXSL-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249969;MM249969;C=NN1CC(=C)C(C)(N)C1;UURHPTWPIYGFAJ-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249970;MM249970;CN=NC=C(NO)C(N)=O;ZGXXHCHMTABRMK-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249971;MM249971;C=NN1CC(=C)C(C)(F)C1;BMKKODPXUVXWHN-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249972;MM249972;CC1(C)CN(C=N)NC1=N;NCBSKQLYJZIWIH-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249973;MM249973;C=C1CN(C=N)NC1(C)C;JNLXVIVLFGFSBV-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249974;MM249974;C=C1CN(C=O)NC1(C)C;KXVVCPNXUXLOEB-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249975;MM249975;C=C1CN(C=O)OC1(C)C;AHOMETRIOTTWLR-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249976;MM249976;C#CC1CC(=C)C(C)(C)C1;VREWOCFXKKIPCF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249977;MM249977;C#CC1CC(=C)C(C)(N)C1;FQRAKHJHDLHTAS-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249978;MM249978;C#CC1CC(=C)C(C)(C)N1;NBGHCCOABFNNMU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249979;MM249979;C#CC1CC(=C)C(C)(C)O1;LMEUAURDTBCAGR-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249980;MM249980;CC=C1CC(C)C(C)(C)C1;IGNQDMFNCQCFKT-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249981;MM249981;CC=C1CC(C)C(C)(N)C1;BZLCHKOKJHVFGC-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249982;MM249982;CC1CC(=CF)CC1(C)N;HYFFLHHRROEJBY-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249983;MM249983;CCC(C#N)NN=CCO;CEVVRBVNDAUMSI-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249984;MM249984;CC1CC(=CF)CC1(C)O;ATXAECSQLZQXKV-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249985;MM249985;CC1CC(=NN)CC1(C)C;IMADKLFNZBJRGH-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249986;MM249986;CC1CC(=NO)CC1(C)C;CYEJZJQYCKFPKE-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249987;MM249987;CC1(C)CC(=NO)CC1N;RVHNZZBSONYXBK-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249988;MM249988;CC1CC(=NO)CC1(C)N;MOBNUQQXVAPGPK-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249989;MM249989;CC1(N)CC(=NO)CC1N;NBINJYYCMSAPRD-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249990;MM249990;CC1CC(=NO)CC1(C)O;GENNSWDYQVORII-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249991;MM249991;CC1CC(=NO)CC1(C)F;OBKDMCKPHXNBIN-UHFFFAOYSA-N;145.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249992;MM249992;CN=C1CC(C)(C)C(C)N1;QEUWFPIKASNYCI-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249993;MM249993;CC1N=C(NN)CC1(C)C;AHOGJEHCQLQLME-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249994;MM249994;CC1N=C(NO)CC1(C)C;IQAYDQHKVRACHB-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249995;MM249995;CN=C1CC(C)(N)C(C)N1;BDSSBJNYPLNNPR-UHFFFAOYSA-N;141.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249996;MM249996;CN=C1CC(C)(O)C(C)N1;DWPFXXYZBOPXAJ-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249997;MM249997;CC1N=C(NN)CC1(C)O;CCDUMXXNXRYTPX-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249998;MM249998;CC=C1CC(C)(C)C(C)O1;RREBKIHKYNTLGV-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM249999;MM249999;CC=C1CC(C)(N)C(C)O1;XCHQRWISJNWIIL-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250000;MM250000;CC=C1CC(C)(O)C(C)O1;GVSBYUXXSFVCDR-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250001;MM250001;C#CC(CF)NN=CCO;FNTMHTLIDGXBDX-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250002;MM250002;C=CC(C=O)NN=CCO;HCKZNFUHLPCYIG-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250003;MM250003;CN=C1CC(C)C(C)(C)N1;IAUSRRYEQBCVPN-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250004;MM250004;CC1CC(=NN)NC1(C)C;HTZMAFSTBKLYCE-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250005;MM250005;C=CC(=NNC=NN)NO;ICJFVLQYKGGNJW-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250006;MM250006;CN=C1NC(C)C(C)(C)N1;VJGHBWAYLFUCAI-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250007;MM250007;CC1NC(=NN)NC1(C)C;BZKUPMHPGNEMJX-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250008;MM250008;CC=C1CC(C)C(C)(C)O1;ZZZIGBQOZNCDJZ-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250009;MM250009;CC1CC(=CF)OC1(C)C;XVOUORFSEGFTSH-UHFFFAOYSA-N;144.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250010;MM250010;CC=C1CC(N)C(C)(C)O1;JCOKRJGJDOCYOL-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250011;MM250011;NN=C(C=COC=O)NO;MTTHUEDIHSJZCV-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250012;MM250012;CC=C1CN(C)C(C)(C)C1;LKYBHOZEGNOOKW-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250013;MM250013;CN1CC(=CF)CC1(C)C;GXQQHSYOWZGWGU-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250014;MM250014;CN=C1CC(C)(C)N(C)N1;IIHJWHIGLAHQKB-UHFFFAOYSA-N;141.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250015;MM250015;C=C1CC(=CC)CC1(C)C;DNWZNFPEDYOWFW-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250016;MM250016;C=C1CC(=CF)CC1(C)C;IOEZIRRNGLJDAE-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250017;MM250017;C=C1CC(=CC)CC1(C)N;MOYJTSIEOSYHBC-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250018;MM250018;C=C1CC(=CF)CC1(C)N;BBBMVKVJBGWSBL-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250019;MM250019;O=CON=CC(=CF)CO;JONAYVRJUBGJDK-UHFFFAOYSA-N;147.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250020;MM250020;C=C1CC(=CF)CC1(C)O;FTVMVUUIQGYOBH-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250021;MM250021;C=C1CC(=CC)CC1(C)F;QYFBCFPOUCSFCP-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250022;MM250022;C=C1CC(=CF)CC1(C)F;CZKSTHKLOICRAU-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250023;MM250023;C=C1CC(=NN)CC1(C)C;KHFNWBKDNMIGEX-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250024;MM250024;C=C1CC(=NO)CC1(C)C;RHRNVCROOFGTFS-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250025;MM250025;C=C1CC(=NO)CC1(C)N;JCFAVMDQNNFHCZ-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250026;MM250026;CC=NN=CC(=NC)NO;ZPDOQCGHMAHRSV-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250027;MM250027;C=C1CC(=NO)CC1(C)O;BHEMFSRVGSJXFF-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250028;MM250028;C=C1CC(=NN)CC1(C)F;FMBYRUVCEPONTJ-UHFFFAOYSA-N;142.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250029;MM250029;C=C1CC(=NO)CC1(C)F;JSVLSJAZIJYORG-UHFFFAOYSA-N;143.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250030;MM250030;CC=C1CC(C)(C)C(=N)N1;SCFIDJKKWMGQQH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250031;MM250031;CC=C1CC(C)(N)C(=N)N1;XMEVPERBDOZYDB-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250032;MM250032;CC=C1CC(C)(O)C(=N)N1;XYDHLMUWZXRKDL-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250033;MM250033;C=C1NC(=NC)CC1(C)C;WYUODJUUDLNSFI-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250034;MM250034;C=C1NC(=NN)CC1(C)C;NDJNMLLWWDZYDZ-UHFFFAOYSA-N;139.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250035;MM250035;C#CCc1c[nH]c(N=N)c1;CBEJLBIBBZUUFI-UHFFFAOYSA-N;133.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250036;MM250036;CN=C1CC(C)(C)C(=N)N1;LNTDTWVOOKMQTM-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250037;MM250037;C=C1NC(=NC)CC1(C)N;GAUUXYNFGMILHM-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250038;MM250038;CN=C1CC(C)(N)C(=N)N1;HBQMDTOFDFJSHA-UHFFFAOYSA-N;140.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250039;MM250039;C=C1NC(=NC)CC1(C)O;PZMCEXNZHICEJY-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250040;MM250040;C=C1N=C(NN)CC1(C)O;IPZWBGAZOAFUPA-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250041;MM250041;C=C1OC(=CC)CC1(C)C;LAYZLPKIMGFHQR-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250042;MM250042;C=C1OC(=CC)CC1(C)N;LJBVQJSKPDFUHP-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250043;MM250043;C=C1OC(=CF)CC1(C)N;HEHNIKLUOCXMQL-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250044;MM250044;C=C1OC(=CC)CC1(C)O;WDTCEOPRHOIZFI-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250045;MM250045;CC1C(O)C1C1(C=O)CN1;FKUDZJJBEQSUEK-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250046;MM250046;C=C1OC(=NO)CC1(C)N;HNHLLOIBQOJAPH-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250047;MM250047;C=C1CC(=NC)NC1(C)C;FROMOVIFXYJZMO-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250048;MM250048;C=C1CC(NN)=NC1(C)C;XXOZOGMXXOHURB-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250049;MM250049;C=C1NC(=NC)NC1(C)C;IRGMHZUDOHYNJK-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250050;MM250050;CN=C1NC(=N)C(C)(C)N1;DDEVFJGHTUDVHZ-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250051;MM250051;C=C1CC(=CC)OC1(C)C;GKSVWNYCDAVHCS-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250052;MM250052;COc1n[nH]c(C#N)c1N;FCTDASZJDLYXPU-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250053;MM250053;C=C1CC(=NO)OC1(C)C;HCUVKGHADAKNHX-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250054;MM250054;CC=C1NC(=N)C(C)(C)O1;AILWACNZQXCKJL-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250055;MM250055;CCC1=CC(C)C(C)(C)C1;VAFDVMSLNSPCMO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250056;MM250056;CC1C=C(CN)CC1(C)C;LNQBXWWWANMHCR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250057;MM250057;CC1C=C(CO)CC1(C)C;FDOBIGBBHDXXHC-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250058;MM250058;CC1C=C(CF)CC1(C)C;GVONEMVEUUYOBT-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250059;MM250059;CCC1=CC(N)C(C)(C)C1;WPJHRAMXNFYALJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250060;MM250060;CC1(C)CC(CN)=CC1N;LSDHFQRJPINYKV-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250061;MM250061;CC1(C)CC(CO)=CC1N;BLSDEXUDYPXHSP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250062;MM250062;CCC1=CC(C)C(C)(N)C1;ASEWRRNDYQBAJB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250063;MM250063;CC1C=C(CN)CC1(C)N;HOWGSGPGSOCCQZ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250064;MM250064;CC1C=C(CO)CC1(C)N;FZELEDYVBMCDLX-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250065;MM250065;CC1C=C(CF)CC1(C)N;KPTSMCWYCUUMRC-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250066;MM250066;COCCCNN=CCO;DAKYRIVIZPCWAB-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250067;MM250067;CC1C=C(CN)CC1(C)O;FXWIPVXKBDNGNN-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250068;MM250068;CC1C=C(CO)CC1(C)O;LAGQIGIPPHIRML-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250069;MM250069;CC1C=C(CF)CC1(C)O;ZJDBRXPFRLHONA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250070;MM250070;CC1C=C(CN)CC1(C)F;MWCTVZRKCRNEBZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250071;MM250071;CC1C=C(CO)CC1(C)F;QOVHDZZPDAJIRM-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250072;MM250072;COC1=CC(C)C(C)(C)C1;NJCKROFLIZDFGU-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250073;MM250073;COC1=CC(N)C(C)(C)C1;STHDTUIXCIPZKY-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250074;MM250074;COC1=CC(C)C(C)(N)C1;QBNATEAGNUGOAL-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250075;MM250075;COC1=CC(C)C(C)(O)C1;BHXPIVJXDXYCBQ-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250076;MM250076;CCC1=NC(C)(C)C(C)N1;LHZDVVYXKHDPLZ-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250077;MM250077;CC1N=C(CN)NC1(C)C;WKMFBRAAJYLZLE-UHFFFAOYSA-N;141.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250078;MM250078;CC1N=C(CO)NC1(C)C;ADHWBBPPVKSGJD-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250079;MM250079;CNC1=NC(C)C(C)(C)N1;VJGHBWAYLFUCAI-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250080;MM250080;CC1N=C(NN)NC1(C)C;BZKUPMHPGNEMJX-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250081;MM250081;CCC1=CC(C)C(C)(C)O1;JDXWEDQFXNCZFP-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250082;MM250082;CC1C=C(CN)OC1(C)C;WJNVIFVDRDBSLB-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250083;MM250083;CC1C=C(CO)OC1(C)C;QADWRRHFTJAPJG-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250084;MM250084;CC1C=C(CF)OC1(C)C;PJLDSRXPLMYOIJ-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250085;MM250085;CCC1=CC(N)C(C)(C)O1;ZPNGHYHMGBOJOU-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250086;MM250086;CC1(C)OC(CN)=CC1N;HEAMHTPHKRFJMJ-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250087;MM250087;CC1N=C(NN)OC1(C)C;VQOMAHPKWGABGQ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250088;MM250088;CCC1=NN(C)C(C)(C)C1;ULNRSNCTXMXPPP-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250089;MM250089;O=CCCCNN=CCO;WUUDUQAKLWYNCH-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250090;MM250090;C=CC1=CC(C)C(C)(C)C1;RLVAXACENIUNFZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250091;MM250091;CC1C=C(C=O)CC1(C)C;ZLMBLJKDODKOGR-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250092;MM250092;CC1C=C(C#N)CC1(C)C;PBTSWDBJTXZFSY-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250093;MM250093;C=CC1=CC(N)C(C)(C)C1;APSKPUXIWBMLJL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250094;MM250094;C=CC1=CC(C)C(C)(N)C1;YKTVQLIHWSKGEE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250095;MM250095;C=NNCCNN=CCO;UAUBSIWDYCDDEF-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250096;MM250096;CC1C=C(C=O)CC1(C)O;VPCXOEHBGBKGJH-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250097;MM250097;CC1C=C(C#N)CC1(C)O;SASQZZPGSNTRCJ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250098;MM250098;C=CC1=CC(C)C(C)(F)C1;XURBJJJBPBODNN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250099;MM250099;CC1C=C(C=O)CC1(C)F;CMIVCUQXIYOYRT-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250100;MM250100;CC1C=C(C#N)CC1(C)F;ZDUQPWQYHPNBJN-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250101;MM250101;C=CC1=NC(C)C(C)(C)N1;NGEHODPVNCMWLV-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250102;MM250102;CC1N=C(C=O)NC1(C)C;SRWJVLLFTOEZAA-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250103;MM250103;CC1N=C(C#N)NC1(C)C;ZCJGMQRXAJZPNV-UHFFFAOYSA-N;137.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250104;MM250104;C=CC1=CC(C)C(C)(C)O1;ZUMVATADXDNAFN-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250105;MM250105;CC1C=C(C=O)OC1(C)C;JJEUJKIYQCMFBI-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250106;MM250106;CC1C=C(C#N)OC1(C)C;VFVHLERJFJQHAV-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250107;MM250107;C=CC1=CC(N)C(C)(C)O1;LLZXLPRLUUQQGV-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250108;MM250108;CN1C=C(C=O)CC1(C)C;HSKLWOITOQBBFS-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250109;MM250109;CN1C=C(C#N)CC1(C)C;BNKSKCRRFQMNRR-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250110;MM250110;C=CC1=NN(C)C(C)(C)C1;ZLKYIPUXSURRQY-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250111;MM250111;CN1N=C(C=O)CC1(C)C;IXBBWOTZCBXRRP-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250112;MM250112;CN1N=C(C#N)CC1(C)C;YGCFJKFKURZUAI-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250113;MM250113;C#CC1=CC(C)C(C)(C)C1;JQMCNTKFWWDKNA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250114;MM250114;C#CC1=CC(N)C(C)(C)C1;HVZRAJGCCNNSTQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250115;MM250115;C#CC1=CC(C)C(C)(N)C1;VJWRRVSWXXNTOU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250116;MM250116;C#CC1=CC(N)C(C)(N)C1;RTTZPNUMKUQRDC-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250117;MM250117;O=COCCNN=CCO;CIRYZGHLDPQYTE-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250118;MM250118;C#CC1=CC(N)C(C)(O)C1;CRTSWKSOUGGFNQ-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250119;MM250119;C#CC1=CC(C)C(C)(F)C1;AQWNBMIXCHXZDQ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250120;MM250120;C#CC1=CC(C)C(C)(C)O1;SQZJRTPYHGDNLM-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250121;MM250121;C#CC1=CC(N)C(C)(C)O1;VHRBTEMYQUWFLR-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250122;MM250122;C#CC1=NN(C)C(C)(C)C1;RNFLZNGFZVXLGA-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250123;MM250123;C=C1C=C(CC)CC1(C)C;PMNUZQVGWUPMIF-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250124;MM250124;C=C1C=C(CN)CC1(C)C;HSNZBIUQOZNSNG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250125;MM250125;NN=CCCNN=CCO;SGAVHHDOQBYHCN-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250126;MM250126;C=C1C=C(CF)CC1(C)C;JAGARBKYSJPZNV-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250127;MM250127;CCC1=CC(=O)C(C)(C)C1;IQBPHJQRYYEDEA-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250128;MM250128;CC1(C)CC(CO)=CC1=O;FYMZIAZZVDFIPS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250129;MM250129;CC1(C)CC(CF)=CC1=O;JVSNNCIBCBJEEN-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250130;MM250130;C=C1C=C(CC)CC1(C)N;GSBUTSZUSYUOGU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250131;MM250131;C=C1C=C(CN)CC1(C)N;FSYCVZVZRLWLRF-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250132;MM250132;C=C1C=C(CO)CC1(C)N;SGHDKPFRSKJXNR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250133;MM250133;C=C1C=C(CF)CC1(C)N;OYROWVNKACJKSL-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250134;MM250134;CC#CCCNN=CCO;RJLKVVLGTDGITN-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250135;MM250135;C=C1C=C(CN)CC1(C)O;PFCDCPLBNXSKCE-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250136;MM250136;C=C1C=C(CO)CC1(C)O;RBJPPRFJAYPRQI-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250137;MM250137;C=C1C=C(CF)CC1(C)O;ASHWOQJSHUQXEI-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250138;MM250138;C=C1C=C(CC)CC1(C)F;CFQLTZJNOYDKMT-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250139;MM250139;C=C1C=C(CN)CC1(C)F;IAZVKLJTVGCURC-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250140;MM250140;C=C1C=C(CO)CC1(C)F;CMJXJJHGOFRNPD-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250141;MM250141;C=C1C=C(CF)CC1(C)F;FQUWVCZYXGCCSK-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250142;MM250142;CNC1=CC(=O)C(C)(C)C1;AVHURBHOLQOPTM-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250143;MM250143;C=C1C=C(OC)CC1(C)C;GVZTVLSQBSXYIT-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250144;MM250144;COC1=CC(=O)C(C)(C)C1;LSKLTQQTFZMKJG-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250145;MM250145;C=C1C=C(OC)CC1(C)N;OPUDFJJPPDNGNG-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250146;MM250146;C=C1C=C(OC)CC1(C)O;AMIDMADBMFEQDN-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250147;MM250147;C=C1C=C(OC)CC1(C)F;LPVAXGVVPSTPOI-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250148;MM250148;CCC1=CC(=O)C(C)(C)N1;XFMDEQWEGNVURL-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250149;MM250149;CC1(C)NC(CO)=CC1=O;YUDNHXGYKFDDDB-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250150;MM250150;CNC1=CC(=O)C(C)(C)N1;KIVLSEURFBHJFB-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250151;MM250151;CNN=CCNN=CCO;LKYNUOMCAQRRAC-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250152;MM250152;CNC1=NC(=N)C(C)(C)N1;DDEVFJGHTUDVHZ-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250153;MM250153;C=C1C=C(CC)OC1(C)C;QBVQGFJQPUWTIM-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250154;MM250154;C=C1C=C(CN)OC1(C)C;NTNKJFJCSANSAT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250155;MM250155;C=C1C=C(CO)OC1(C)C;DEKHDGNYGULOQL-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250156;MM250156;C=C1C=C(CF)OC1(C)C;UGLJPVJLUNNRFK-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250157;MM250157;CCC1=CC(=O)C(C)(C)O1;VHPMRLOJYLTYEA-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250158;MM250158;CON=CCNN=CCO;ISLHKNNWUUQBNY-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250159;MM250159;C=CC1=CC(=C)C(C)(C)C1;MJSOJCGYIQXHLV-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250160;MM250160;C=C1C=C(C=O)CC1(C)C;DLNQGKSBDKLTNM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250161;MM250161;C=C1C=C(C#N)CC1(C)C;MRPLMPFAEIKORD-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250162;MM250162;C=CC1=CC(=O)C(C)(C)C1;IMSSAIVFUUDKGR-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250163;MM250163;CC1(C)CC(C=O)=CC1=O;SZMOQHRDQDPOOD-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250164;MM250164;CC1(C)CC(C#N)=CC1=O;FKIUFJKDMRRXRW-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250165;MM250165;C=CC1=CC(=C)C(C)(N)C1;BOWNXWJHLLGCKD-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250166;MM250166;CCC#CCNN=CCO;KUQVDSJDBSGNBP-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250167;MM250167;C=C1C=C(C=O)CC1(C)O;PBUUFTLXZJBBMR-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250168;MM250168;C=C1C=C(C#N)CC1(C)O;GMVFPBGWCNLVSX-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250169;MM250169;C=CC1=CC(=C)C(C)(F)C1;IZKYWIGYXMHULZ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250170;MM250170;C=C1C=C(C=O)CC1(C)F;LPAJPYDGHXQYFF-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250171;MM250171;C=C1C=C(C#N)CC1(C)F;FXZATCBLDWLHBY-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250172;MM250172;C=CC1=CC(=O)C(C)(C)N1;VADSNBNBULFHKI-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250173;MM250173;CC1(C)NC(C=O)=CC1=O;ZPJGHJHKSACLMA-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250174;MM250174;CC1(C)NC(C#N)=CC1=O;UTFBCWMLXOVZCD-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250175;MM250175;N#CC1CC1NN=CCO;IBBSWEOIOHASDI-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250176;MM250176;ONc1ccc(CF)cc1;MHMWHFQPAQFCRB-UHFFFAOYSA-N;141.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250177;MM250177;C=CC1=CC(=C)C(C)(C)O1;OEOOWFIXURYQHN-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250178;MM250178;C=C1C=C(C=O)OC1(C)C;NZBRODRBGDSINX-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250179;MM250179;C=C1C=C(C#N)OC1(C)C;QXYQWWNEZMWUJD-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250180;MM250180;CC1(C)OC(C=O)=CC1=O;PAMDGISZOJHGAK-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250181;MM250181;CC1(C)OC(C#N)=CC1=O;FIQCWQPLTFUGEC-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250182;MM250182;C#CC1=CC(=C)C(C)(C)C1;PFCZPEZTYRVVAX-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250183;MM250183;C#CC1=CC(=O)C(C)(C)C1;HZZZNFJKTMDKSP-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250184;MM250184;C#CC1=CC(=C)C(C)(N)C1;PMBGDALAEWHMGT-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250185;MM250185;CN=C(C=NN1CC1)NO;KFGYFYBMLCUUQZ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250186;MM250186;C#CC1=CC(=C)C(C)(F)C1;GALVMXZMEFAVSS-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250187;MM250187;C#CC1=CC(=O)C(C)(C)N1;GJIPFFZYCYSZDS-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250188;MM250188;C#CC1=NC(C)(C)C(=N)N1;OITKGWGNJGIMGE-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250189;MM250189;C#CC1=CC(=C)C(C)(C)O1;FBQWKDUSKRLEGK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250190;MM250190;C#CC1=CC(=O)C(C)(C)O1;QONQLBHFYPNHIG-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250191;MM250191;CC1=CC(CN)CC1(C)C;NTGVVJZJNPZCFG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250192;MM250192;CCC1C=C(C)C(C)(N)C1;QYGJLXSNKWVKMQ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250193;MM250193;N#CC(C#CC1CN1)C=O;TUXRHLWQAADMMA-UHFFFAOYSA-N;134.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250194;MM250194;CCC1C=C(C)C(C)(F)C1;IGHGIBOHDNYNGG-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250195;MM250195;CNC1C=C(C)C(C)(C)C1;KRKRMSBMGFIFDB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250196;MM250196;CCC1C=C(C)C(C)(C)N1;NSFNBPWBQOOBKI-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250197;MM250197;CCC1C=C(C)C(C)(C)O1;QUHDWSIUKUGRLW-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250198;MM250198;CCN1CC(C)(C)C(C)=N1;GBFDWLOMMZVZJU-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250199;MM250199;Cc1cnc(N)o1;DYYFCNDEROYKKJ-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250200;MM250200;C=CC1C=C(C)C(C)(C)C1;SDBVHGALOZRYQH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250201;MM250201;CC1=CC(C#N)CC1(C)C;FAZBZBNXIOYCLK-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250202;MM250202;C=CC1C=C(C)C(C)(N)C1;SUJNMZBQWAHGAO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250203;MM250203;C=NNC1CC1O;LPKCHBXWMOTRQN-UHFFFAOYSA-N;100.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250204;MM250204;CC1=CC(C=O)CC1(C)O;GGFNNGYTVIOSIQ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250205;MM250205;C=CC1C=C(C)C(C)(C)N1;JBOUTHAUDXJESA-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250206;MM250206;CC1=CC(C#N)NC1(C)C;KYWJYKUSGHABOU-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250207;MM250207;C=CC1C=C(C)C(C)(C)O1;ITCUYANCQTXDIM-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250208;MM250208;CC1=CN(C=N)CC1(C)C;PZFBKSCEKQOPMM-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250209;MM250209;CC1=CN(C=O)CC1(C)C;UCSPSTPYXGCRJT-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250210;MM250210;CC1=CN(C=N)CC1(C)N;WOADGHFIVQGKNW-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250211;MM250211;CC1=CN(C=O)CC1(C)N;HUZLGERNPJMPFU-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250212;MM250212;CC1=CN(C=N)CC1(C)O;XZDKGKPORKXTIY-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250213;MM250213;CC1=CN(C=O)CC1(C)O;LUXYSLAHQWMBLS-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250214;MM250214;CC1=NN(C=N)CC1(C)C;QYLHYQZMTCBDSL-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250215;MM250215;CC1=NN(C=O)CC1(C)C;NFQPPNXAGAONSK-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250216;MM250216;C=Cc1cc[nH]n1;YPIINMAYDTYYSQ-UHFFFAOYSA-N;94.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250217;MM250217;CC1=NN(C=O)CC1(C)O;LIBZNKZAABKBTP-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250218;MM250218;CC1=CN(C=N)NC1(C)C;YAEUQXSLUBURLH-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250219;MM250219;CC1=CN(C=O)NC1(C)C;UDISRPSIUNXKFF-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250220;MM250220;C#CC1C=C(C)C(C)(C)C1;VEYFBEGBZYXCCU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250221;MM250221;C#CC1C=C(C)C(C)(N)C1;LIPIBUBLGCWFQN-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250222;MM250222;CC1(CO)C=NOC1;FCGSMXXVUJEQGU-UHFFFAOYSA-N;115.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250223;MM250223;C#CC1C=C(C)C(C)(C)N1;YCSAZZMUTDIWEX-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250224;MM250224;C#CC1C=C(C)C(C)(C)O1;ZTGLAGLENQYJQV-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250225;MM250225;CC=C1C=C(C)C(C)(C)C1;ZKOOSECQEQBPFD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250226;MM250226;CC1=CC(=CF)CC1(C)C;AJUPYUQKKDLCOH-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250227;MM250227;CC=C1C=C(C)C(C)(N)C1;DOIZAKPZDDLHHN-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250228;MM250228;CC1=CC(=CF)CC1(C)N;ZJOIDKMVFVQSEB-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250229;MM250229;CNn1cnc(N)n1;ZYHHEHCCNSAHJH-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250230;MM250230;CC=C1C=C(C)C(C)(F)C1;HFTDNVJOVJZINF-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250231;MM250231;CC1=CC(=NN)CC1(C)C;CFWVSVMOUMAFLA-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250232;MM250232;Nn1ccc(CO)c1;RKBUHTXUXAMLCB-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250233;MM250233;CC=NNC1CC1O;YUTZUNRWRYPYKH-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250234;MM250234;CC1=CC(=NO)CC1(C)N;GZSKBQZLMIIQPT-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250235;MM250235;CC1(N)CC(=NO)C=C1N;BHBKPOHURQKQTC-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250236;MM250236;CCC(C)(O)CC=NN;DFTKDDSLQJCHDJ-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250237;MM250237;CC1=CC(=NN)CC1(C)F;NDQMZGCIRDVUAM-UHFFFAOYSA-N;142.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250238;MM250238;CC1=CC(=NO)CC1(C)F;JCIWNWWNYDNYDV-UHFFFAOYSA-N;143.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250239;MM250239;CN=C1C=C(C)C(C)(C)N1;UCDZKTWYEWFYHG-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250240;MM250240;CC1(C)NC(CO)C1=O;BEATYPXXMSDNMW-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250241;MM250241;CN=C1C=C(N)C(C)(C)N1;QYFIWSDTSADFHQ-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250242;MM250242;CC=C1C=C(C)C(C)(C)O1;AJNQQGHWFCBRPI-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250243;MM250243;CN=C(C=C(F)F)NO;LPDJDDHCWFGWAT-UHFFFAOYSA-N;136.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250244;MM250244;CC1=CC(=NO)OC1(C)C;IZUOICCZNRBCKF-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250245;MM250245;CCC1=CC(C)(C)C(C)C1;RFALFSIBHOWXFZ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250246;MM250246;CC1CC(CN)=CC1(C)C;YXHJPDSTEPNEMJ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250247;MM250247;CC1CC(CO)=CC1(C)C;HSTWJPLXNBOXLO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250248;MM250248;CC1CC(CF)=CC1(C)C;UIFRCGGONJXKTC-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250249;MM250249;CCC1=CC(C)(C)C(N)C1;BBRNMTXOVSWGEG-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250250;MM250250;CC1(C)C=C(CN)CC1N;KBYHVPOQSMRQKB-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250251;MM250251;CC1(C)C=C(CO)CC1N;IEPQCCIJWUSPEL-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250252;MM250252;CC1(C)C=C(CF)CC1N;PGJHOOMXDRIRNL-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250253;MM250253;CCC1=CC(C)(N)C(C)C1;TVYGNZQIKVJTLW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250254;MM250254;CC1CC(CN)=CC1(C)N;VFJNDYXGNBMWCF-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250255;MM250255;CC1CC(CO)=CC1(C)N;BXQNLTCEJMRLSA-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250256;MM250256;CC1CC(CF)=CC1(C)N;MWUDVCIYUDXYKV-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250257;MM250257;CCC1=CC(C)(N)C(N)C1;OUUXPLCNQFJVGR-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250258;MM250258;CC1(N)C=C(CN)CC1N;RYEBCOFEKIVTIX-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250259;MM250259;CC1(N)C=C(CO)CC1N;IWQJHBDUAGZBGU-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250260;MM250260;CON=CCNC(N)=O;KASJFRRZWGGHHA-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250261;MM250261;CC1CC(CN)=CC1(C)O;XJGADSDGNCIHGC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250262;MM250262;CC1CC(CO)=CC1(C)O;VOGXXELKGODVED-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250263;MM250263;CC1CC(CF)=CC1(C)O;ZCJIWLPUBWEPBR-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250264;MM250264;CCC1=CC(C)(F)C(C)C1;NIFDGONGTZDLNW-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250265;MM250265;CC1CC(CN)=CC1(C)F;JSRNKLRYLXKGSL-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250266;MM250266;CC1CC(CF)=CC1(C)F;OZEJRBWHFGSCCI-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250267;MM250267;COC1=CC(C)(C)C(C)C1;KRAABTDATLXEBK-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250268;MM250268;COC1=CC(C)(C)C(N)C1;JGSGQJMJVBVAGA-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250269;MM250269;COC1=CC(C)(N)C(C)C1;QOYSCJZIUBYYMH-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250270;MM250270;COC1=CC(C)(O)C(C)C1;SAXIWDLZSWXZBN-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250271;MM250271;CCC1=CC(C)(C)C(C)O1;UZFDOGRODHBUFW-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250272;MM250272;CC1OC(CN)=CC1(C)C;XMECGZATWSGDQT-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250273;MM250273;CC1OC(CO)=CC1(C)C;XENSTTIKJPJWEH-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250274;MM250274;CCC1=CC(C)(N)C(C)O1;VTIZPLIYTNSGIR-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250275;MM250275;CC1OC(CN)=CC1(C)N;MLKKPSYJPDSVKL-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250276;MM250276;CC1OC(CO)=CC1(C)N;LDIVRHJIFNRMPJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250277;MM250277;CCC1=CC(C)(O)C(C)O1;YGFQZRFXIIEDDJ-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250278;MM250278;CC1OC(CO)=CC1(C)O;GLCJMRNWWOUBLX-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250279;MM250279;CNC1=NC(C)(C)C(C)N1;VJGHBWAYLFUCAI-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250280;MM250280;CC1OC(NN)=NC1(C)C;LIWBOKBFNVWVDN-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250281;MM250281;CCC1=CC(C)(C)N(C)C1;NYDOGYIYEHNPRY-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250282;MM250282;CN1CC(CN)=CC1(C)C;TUEOSMNIOWOLGK-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250283;MM250283;CN1CC(CO)=CC1(C)C;HQLQUAOTOAVMEP-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250284;MM250284;CN1CC(CF)=CC1(C)C;FBJFPKUEWMNCIW-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250285;MM250285;COC1=CC(C)(C)N(C)C1;ZSXQZOVBZXXUSH-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250286;MM250286;C=CC1=CC(C)(C)C(C)C1;KBYAUSFNWJIJSI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250287;MM250287;CC1CC(C=O)=CC1(C)C;IYLYZOSMDVMCLA-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250288;MM250288;CC1CC(C#N)=CC1(C)C;MYEYHXYQSSOMMV-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250289;MM250289;C=CC1=CC(C)(C)C(N)C1;CLQIJPMVRXQUIP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250290;MM250290;C=CC1=CC(C)(N)C(C)C1;YXSACGUMVWGJGX-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250291;MM250291;C=CC1=CC(C)(N)C(N)C1;VNNGWZKHDNBWJJ-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250292;MM250292;C=C(CO)C(=O)N(C)N;RNKJXPRRAKIXPO-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250293;MM250293;CC1CC(C=O)=CC1(C)O;GYMSOXXASHNNNY-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250294;MM250294;CC1CC(C#N)=CC1(C)O;BKWIXQURQSIGBY-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250295;MM250295;C=CC1=CC(C)(F)C(C)C1;JNVOOVNJDZQSMI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250296;MM250296;CC1CC(C=O)=CC1(C)F;LCKYPULAVKKCIR-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250297;MM250297;CC1CC(C#N)=CC1(C)F;GYRUHCVWPRHGMH-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250298;MM250298;C=CC1=CC(C)(F)C(N)C1;LILHKKWLWAOJDF-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250299;MM250299;C=CC1=CC(C)(C)C(C)O1;RJQBSPPKRVLOIK-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250300;MM250300;CC1OC(C=O)=CC1(C)C;KRQRWXDYWJLFDE-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250301;MM250301;CC1OC(C#N)=CC1(C)C;DCMGIYQRBOZVKC-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250302;MM250302;C=CC1=CC(C)(N)C(C)O1;QFEDHOFOADJTCW-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250303;MM250303;CC1OC(C#N)=CC1(C)O;PVVMTYXYXBYXIA-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250304;MM250304;C=CC1=CC(C)(C)N(C)C1;GDAQGRXNITTZBW-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250305;MM250305;CN1CC(C=O)=CC1(C)C;YEIMOYMLBSWGRP-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250306;MM250306;C#CC1=CC(C)(C)C(C)C1;MNJZVNHWUGEATM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250307;MM250307;C#CC1=CC(C)(C)C(N)C1;MYQIRFCBNXXQAQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250308;MM250308;C#CC1=CC(C)(N)C(C)C1;VMBRRVPQOFCCMF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250309;MM250309;C#CC1=CC(C)(N)C(N)C1;BLOCIZHXMAXEBH-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250310;MM250310;Nc1c(F)nn(N)c1F;OGBWIHBMPZDNEK-UHFFFAOYSA-N;134.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250311;MM250311;C#CC1=CC(C)(F)C(C)C1;AWVCYKOPLOOYSP-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250312;MM250312;C#CC1=CC(C)(C)C(C)O1;FKSAKBISGQPHEH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250313;MM250313;C#CC1=CC(C)(N)C(C)O1;CVJAQAUTYXNHHV-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250314;MM250314;C#CC1=CC(C)(O)C(C)O1;DFJLVJFRXWKOSI-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250315;MM250315;C#CC1=CC(C)(F)C(C)O1;RSXYTLHNZQQNBQ-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250316;MM250316;C#CC1=CC(C)(C)N(C)C1;WTWGBDTXYHCONE-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250317;MM250317;C=C1CC(CC)=CC1(C)C;WRCDFADAXUABFP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250318;MM250318;C=C1CC(CN)=CC1(C)C;QUZONKAHYYRSKO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250319;MM250319;NN=CC1=COC(=O)C1;NSDAOAJFNUWRJC-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250320;MM250320;C=C1CC(CF)=CC1(C)C;QNVVRUOJESRSNO-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250321;MM250321;CCC1=CC(C)(C)C(=O)C1;KYKQVABMRIDZDL-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250322;MM250322;CC1(C)C=C(CF)CC1=O;KBDQTTOTDIWDID-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250323;MM250323;C=C1CC(CC)=CC1(C)N;RGEUERZIYCGJEQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250324;MM250324;C=C1CC(CN)=CC1(C)N;QUMGKXUWGRLUSX-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250325;MM250325;C=C1CC(CO)=CC1(C)N;QOXLKNVCACBSEN-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250326;MM250326;C=C1CC(CF)=CC1(C)N;WPRXORZXBQFAIZ-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250327;MM250327;CCC1NC(CO)C1=O;FVFDFSRWDAZEMV-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250328;MM250328;C=C1CC(CN)=CC1(C)O;GPJBYUGGHTYDKZ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250329;MM250329;C=C1CC(CO)=CC1(C)O;LAJSWFHFRTWOJJ-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250330;MM250330;C=C1CC(CF)=CC1(C)O;JZOZTQQBWLPRGU-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250331;MM250331;C=C1CC(CC)=CC1(C)F;XQDZCPDXPHGGEF-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250332;MM250332;C=C1CC(CN)=CC1(C)F;LGYVSPJEBJABCN-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250333;MM250333;C=C1CC(CO)=CC1(C)F;XPTVGFRDORRMDU-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250334;MM250334;C=C1CC(CF)=CC1(C)F;RDFGHCCJOAYAGT-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250335;MM250335;C=C1CC(OC)=CC1(C)C;BIFIXGKTZFTMSP-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250336;MM250336;COC1=CC(C)(C)C(=O)C1;BGVYFZWMCKIHHH-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250337;MM250337;C=C1CC(OC)=CC1(C)N;QUZGCZUYUHQBLV-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250338;MM250338;C=C1CC(OC)=CC1(C)O;SYTCYTPPJHMDHN-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250339;MM250339;C=C1CC(OC)=CC1(C)F;SMCHKGPTDBTEAX-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250340;MM250340;CCC1=CC(C)(C)C(=N)N1;PWPYBZBKNHAPIO-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250341;MM250341;CC1(C)C=C(CN)NC1=N;AWYBBRXQDULQGG-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250342;MM250342;CC1(C)C=C(CO)NC1=N;BKFCNVVXCZQYSK-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250343;MM250343;CCC1=CC(C)(N)C(=N)N1;GLYFFRAWACHZLG-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250344;MM250344;CC1(N)C=C(CN)NC1=N;XVCVIYQRVICCKK-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250345;MM250345;CC1(N)C=C(CO)NC1=N;SVHZXQQMEJASAU-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250346;MM250346;CCC1=CC(C)(O)C(=N)N1;WOVCGLJPAMAYTG-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250347;MM250347;CC1(O)C=C(CN)NC1=N;ZFDWSQYYOLEMHA-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250348;MM250348;CC1(O)C=C(CO)NC1=N;RWQMOLYWWSLDEF-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250349;MM250349;COC1=CC(C)(C)C(=N)N1;LOXLMRVAONLPNG-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250350;MM250350;COC1=CC(C)(N)C(=N)N1;MXRRYONMTDNIRQ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250351;MM250351;C=C1OC(CC)=CC1(C)C;SCPLHAAUIXHECU-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250352;MM250352;C=C1OC(CN)=CC1(C)C;VIHWORDKVDPCQM-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250353;MM250353;C=C1OC(CO)=CC1(C)C;HXZKSAPQVVDBIJ-UHFFFAOYSA-N;140.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250354;MM250354;C=C1OC(CC)=CC1(C)N;HYMLIBVZMYFESC-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250355;MM250355;C=C1OC(CN)=CC1(C)N;KFOFNMSXRWTGFS-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250356;MM250356;C=C1OC(CO)=CC1(C)N;SCSALYWHCOGUGC-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250357;MM250357;C=C1OC(CC)=CC1(C)O;TUDGXCVRSMADNX-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250358;MM250358;C=C1OC(CN)=CC1(C)O;WHQLIHWVOVJLSV-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250359;MM250359;C=C1OC(CO)=CC1(C)O;VOIKTUPMVCSILG-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250360;MM250360;C=C1OC(CF)=CC1(C)O;CSLNRBIPFORVNO-UHFFFAOYSA-N;144.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250361;MM250361;C=C1N=C(CC)NC1(C)C;TVAHFFNNNLPNEB-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250362;MM250362;C=C1NC(CN)=NC1(C)C;PFIVGTLAEQHMTR-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250363;MM250363;C=C1NC(CF)=NC1(C)C;RTFLCNOWCQORCU-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250364;MM250364;C=C1NC(NC)=NC1(C)C;IRGMHZUDOHYNJK-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250365;MM250365;C=C1NC(NN)=NC1(C)C;XKAFCUOJICFGDH-UHFFFAOYSA-N;140.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250366;MM250366;CNC1=NC(C)(C)C(=N)N1;DDEVFJGHTUDVHZ-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250367;MM250367;CC1(C)N=C(NN)NC1=N;CTRSROPTAVPSFU-UHFFFAOYSA-N;141.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250368;MM250368;C=C1NC(OC)=NC1(C)C;GXCGKXCWEHPUQV-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250369;MM250369;CN=C1N=CN(N)C1C;OEPWGZWPUZFDBM-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250370;MM250370;C=CC1=CC(C)(C)C(=C)C1;SGEYHAYVNRXGCA-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250371;MM250371;C=C1CC(C=O)=CC1(C)C;JGQUCRLEYKMTOX-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250372;MM250372;C=C1CC(C#N)=CC1(C)C;PJZKUZMBWKAJDV-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250373;MM250373;C=CC1=CC(C)(C)C(=O)C1;TXHMJQDHBADHNW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250374;MM250374;CC1(C)C=C(C#N)CC1=O;PWMPQDXNUBVJLA-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250375;MM250375;C=CC1=CC(C)(N)C(=C)C1;PAPGFAVVBXAAHS-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250376;MM250376;OC1CC1NN=CCF;VTRRKNBFISYUED-UHFFFAOYSA-N;132.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250377;MM250377;C=C1CC(C=O)=CC1(C)O;KMYRCRWPZPBQFD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250378;MM250378;C=C1CC(C#N)=CC1(C)O;DYMQDSJPNDMHQC-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250379;MM250379;C=CC1=CC(C)(F)C(=C)C1;RZITXMCAJKWVRI-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250380;MM250380;C=C1CC(C=O)=CC1(C)F;WFXFWMODBXNIKN-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250381;MM250381;C=C1CC(C#N)=CC1(C)F;XVLYLZKDSCZSPP-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250382;MM250382;C=CC1=CC(C)(C)C(=N)N1;KQFMODNVELNZFV-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250383;MM250383;CC1(C)C=C(C=O)N=C1N;JSBMGEIRRGYMRD-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250384;MM250384;CC1(C)C=C(C#N)NC1=N;BIHJNQQZEGOHDD-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250385;MM250385;CC1(C)C=C(C#N)NC1=O;LQXIMLGVASXJKG-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250386;MM250386;C=CC1=CC(C)(N)C(=N)N1;JSDWMHHRFLARRO-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250387;MM250387;C=CC1=CC(C)(O)C(=N)N1;LFOSWXVDBMNFSI-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250388;MM250388;C=CC1=CC(C)(C)C(=C)O1;PBZISCDIDUJUHY-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250389;MM250389;C=C1OC(C=O)=CC1(C)C;XYTRKOFZMHUYAL-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250390;MM250390;C=C1OC(C#N)=CC1(C)C;LGDVRXBZJSLHLU-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250391;MM250391;C=CC1=CC(C)(N)C(=C)O1;CUMYUHSIBGHSJJ-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250392;MM250392;C=CC1=CC(C)(O)C(=C)O1;HEWFLCFCBCUCDW-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250393;MM250393;C=C1OC(C=O)=CC1(C)O;SULPBDKYVYDGNI-UHFFFAOYSA-N;140.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250394;MM250394;C=C1OC(C#N)=CC1(C)O;WGASQCFJBPGXEW-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250395;MM250395;C=CC1=NC(C)(C)C(=C)N1;YAOKBRWINOEVFS-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250396;MM250396;C=C1NC(C=O)=NC1(C)C;FWYIEZXIAUNYLK-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250397;MM250397;C=C1NC(C#N)=NC1(C)C;WOLZCNSELMJGQD-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250398;MM250398;C#CC1=CC(C)(C)C(=C)C1;AWHYLUMQQSJUBQ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250399;MM250399;C#CC1=CC(C)(C)C(=O)C1;ASQGDKNSIIFPHL-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250400;MM250400;C#CC1=CC(C)(N)C(=C)C1;YVBRHOWJPKJAEI-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250401;MM250401;COC=NNC1CC1O;MGSXOJAVRGRBPG-UHFFFAOYSA-N;130.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250402;MM250402;C#CC1=CC(C)(F)C(=C)C1;VNXGVRUDVOENPI-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250403;MM250403;C#CC1=CC(C)(C)C(=N)N1;DUQRNYFRZONZME-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250404;MM250404;C#CC1=CC(C)(C)C(=O)N1;FGZJOGNIIQHWLD-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250405;MM250405;C#CC1=CC(C)(N)C(=N)N1;ZBFAGCSPPREUQB-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250406;MM250406;C#CC1=CC(C)(O)C(=N)N1;GVCDFOPGIUONGL-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250407;MM250407;C#CC1=CC(C)(C)C(=C)O1;OCFNGNMKYKHCBO-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250408;MM250408;C#CC1=CC(C)(N)C(=C)O1;YEWZCRIDQDJJKU-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250409;MM250409;C#CC1=CC(C)(O)C(=C)O1;PESCKQOKMAQJTL-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250410;MM250410;C#CC1=CC(C)(F)C(=C)O1;ASVRPYDAPRXEAS-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250411;MM250411;CCC1=CC(C)(C)C(C)=C1;TZNYGQGUDOJJDQ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250412;MM250412;CC1=CC(CN)=CC1(C)C;IXFACYDIYDYWSN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250413;MM250413;CC1=CC(CO)=CC1(C)C;FLAFZDMNLJBEJB-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250414;MM250414;CC1=CC(CF)=CC1(C)C;HIZASPRPUWQBMI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250415;MM250415;CCC1=CC(C)(N)C(C)=C1;YBDOYASTLHMMOR-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250416;MM250416;CC1=CC(CN)=CC1(C)N;MYHROENFFHCSJR-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250417;MM250417;CC1=CC(CO)=CC1(C)N;SQRUGDDJHIESMV-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250418;MM250418;CC1=CC(CF)=CC1(C)N;NOKNSEFPGKIUCH-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250419;MM250419;C=CC=NNC1CC1O;LSWRSJIHQMPLKX-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250420;MM250420;CC1=CC(CN)=CC1(C)O;WZJRQCTYWHSQMH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250421;MM250421;CC1=CC(CO)=CC1(C)O;GCUGVMHTFUNXBD-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250422;MM250422;CC1=CC(CF)=CC1(C)O;OKUCRRFXIYFSFG-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250423;MM250423;CCC1=CC(C)(F)C(C)=C1;OKHHDGILIFGCOR-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250424;MM250424;CC1=CC(CN)=CC1(C)F;PQHHNYLRRDIPEA-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250425;MM250425;CC1=CC(CO)=CC1(C)F;ZZOJPIPOJWHOAI-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250426;MM250426;COC1=CC(C)(C)C(C)=C1;OGXRTIXHPOXAPQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250427;MM250427;COC1=CC(C)(N)C(C)=C1;XHINBLBORCBFNG-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250428;MM250428;COC1=CC(C)(O)C(C)=C1;XBGXHVLKUQMNHS-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250429;MM250429;COC1=CC(C)(F)C(C)=C1;QSJQADCAKZJXLS-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250430;MM250430;C=CC1=CC(C)(C)C(C)=C1;TVRJOPMGKGBJJU-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250431;MM250431;CC1=CC(C=O)=CC1(C)C;STWBSESBTMNULK-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250432;MM250432;CC1=CC(C#N)=CC1(C)C;JTESACRXCYXXCO-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250433;MM250433;C=CC1=CC(C)(N)C(C)=C1;CJYRBQAJNWBGEX-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250434;MM250434;O=CC=NNC1CC1O;KPXAMLNXHDMDKC-UHFFFAOYSA-N;128.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250435;MM250435;CC1=CC(C=O)=CC1(C)O;RNYJZPHVXPBOHP-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250436;MM250436;CC1=CC(C#N)=CC1(C)O;YRVJRUTURSXQLI-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250437;MM250437;C=CC1=CC(C)(F)C(C)=C1;URUJQIPFVLNBNZ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250438;MM250438;CC1=CC(C=O)=CC1(C)F;GHJBBUAQSYIODF-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250439;MM250439;CC1=CC(C#N)=CC1(C)F;QSZLBFZZSMSVLF-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250440;MM250440;C#CC1=CC(C)(C)C(C)=C1;VITLCZNNXNCQEE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250441;MM250441;C#CC1=CC(C)(N)C(C)=C1;KXZDUIUGFYDKLH-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250442;MM250442;C#CC=NNC1CC1O;JEMKAVHYDSFCNL-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250443;MM250443;C#CC1=CC(C)(F)C(C)=C1;HMQULOACUMQDTP-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250444;MM250444;C=C1CC(C)CCC1(C)C;MODOLRQPKOUGET-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250445;MM250445;C=C1CCC(C)(C)C(=C)C1;RVPVSOWCNWLZCM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250446;MM250446;C=C1CC(=O)CCC1(C)C;SKIBYFGWCAOABP-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250447;MM250447;C=C1CCC(C)(N)C(=C)C1;ZDXMRUXECFNNBY-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250448;MM250448;C=C1CC(=O)CCC1(C)O;IBHDMOGTQNJFEG-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250449;MM250449;C=C1NC(=N)NCC1(C)C;BTEWXBNQWGJPCW-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250450;MM250450;CC1=CC(N)CCC1(C)O;TTWYXDICZHZMKG-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250451;MM250451;CC1=CC(C)NCC1(C)N;COXSVNDVTGTPTQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250452;MM250452;CC1=CC(C)NCC1(C)O;DNQIMKFMWRGAFI-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250453;MM250453;CC1=CC(C)NCC1(C)F;PTIGWYCRJAVGOB-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250454;MM250454;CC1CC(C(C)(C)CN)C1;BJIJYESWLHEYBK-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250455;MM250455;CNN=CC(=CF)CO;BGPHNZYEJJVSDC-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250456;MM250456;CCC(C)(F)C1CC(N)C1;AEANJAAAICKFOH-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250457;MM250457;CCC(C)(F)C1CC(O)C1;BTICNCXMHKZWQO-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250458;MM250458;CCC(C)(N)C1CC(C)N1;QVMNZHYSSRTWHZ-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250459;MM250459;CCC(C)(C)C1CC(C)O1;JKLSPVSKCUBQNO-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250460;MM250460;CNC(C)(C)C1CN(C)C1;KZIVBDIHTZNJHB-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250461;MM250461;CCC(C)(C)N1CC(C)C1;SEOMVPKGOUAPST-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250462;MM250462;CCCC(C)CCC(C)C;HOAAQUNESXYFDT-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250463;MM250463;CCCC(C)CCC(C)N;JHLSRARFRAZKEV-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250464;MM250464;CC(N)CCC(C)CCF;ZOOIIJZJROGQFL-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250465;MM250465;CC1C(=O)C(CO)N1C;MFFUKOKXSSAODS-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250466;MM250466;CC(CCN)CCC(F)F;WINWOVUJMWKEPM-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250467;MM250467;CCCC(N)CCC(C)C;OFMHBDFRYMYRHL-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250468;MM250468;CC(C)CCC(N)CCF;OWTJGYKBKDZQJB-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250469;MM250469;CCCC(N)CCC(C)N;DICRRHYGGYZJGZ-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250470;MM250470;CCCC(N)CCC(C)O;VQFNKARVQYUDPW-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250471;MM250471;NCCC(N)CCC(F)F;DXACLASZBHFHIL-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250472;MM250472;CNn1ccc(CO)c1;AUTCTUBEHNJAHO-UHFFFAOYSA-N;126.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250473;MM250473;CCCC(O)CCC(C)N;KTZRZQZECQISRM-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250474;MM250474;CC(N)CCC(O)CCF;GREIGXFSVBWDLQ-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250475;MM250475;CC(O)CCC(O)CCN;XJEXQKMNIKFSNI-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250476;MM250476;CCCC(O)CCC(F)F;ALUKFRLWYHWJMK-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250477;MM250477;CCCC(F)CCC(C)N;ASRGLGSQWOFDKF-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250478;MM250478;CC(N)CCC(F)CCF;GMLBGZLJQHLKQH-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250479;MM250479;CCCC(F)CCC(C)O;WCDSKRSTCNYEKU-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250480;MM250480;CC(O)CCC(F)CCF;ROMHEVBDZULTAO-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250481;MM250481;CC(F)CCC(F)CCN;XYUKUWNCPXVTFK-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250482;MM250482;CC(F)CCC(F)CCF;WWHODSDVOYBDKG-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250483;MM250483;FCCC(F)CCC(F)F;UWIGOJWQCHXJES-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250484;MM250484;CNCC(C)CCC(C)F;JMVFPQKAIBJBCQ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250485;MM250485;CNCC(C)CCC(F)F;GJCOROSZXZYEDY-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250486;MM250486;CNCC(N)CCC(F)F;HTMNYLNVMUZJIN-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250487;MM250487;CNCC(F)CCC(C)N;CBZIXEOMUCRLPD-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250488;MM250488;CNCC(F)CCC(C)F;OIGOSYPWPXGWSM-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250489;MM250489;COCC(F)CCC(C)N;PEBYVYJUXJSWGZ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250490;MM250490;CCNC(C)CCC(F)F;PSUPXTLOKUGSSE-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250491;MM250491;CCOC(C)CCC(C)C;HUDRFNABXIRGHA-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250492;MM250492;CCCC(C)CNC(C)C;RJAPGUHSRRUUNE-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250493;MM250493;CCCC(O)CNC(C)C;XGXXTAFRSUSEFR-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250494;MM250494;CC(C)NCC(F)CCF;BNUDJBMSLMIMOA-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250495;MM250495;CNCC(C)CNC(C)C;UGSYSZUMDACRRE-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250496;MM250496;COCC(N)CNC(C)C;PDVYTEZETMQPOI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250497;MM250497;CCNC(C)CNC(C)C;NPKAUKALEIYPDB-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250498;MM250498;CCOC(C)CNC(C)C;BBRWEXVIPUIKPG-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250499;MM250499;CCCC(O)COC(C)C;GFPVUDAELDVZSK-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250500;MM250500;CC(C)OCC(O)CCN;QMAGWUNEORIBFQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250501;MM250501;CC(C)OCC(O)CCO;AIHURRYGFVCOAX-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250502;MM250502;CNCC(N)COC(C)C;AKQZQQZCYFYQNI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250503;MM250503;COCC(N)COC(C)C;YWHPTPJNCBJEKH-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250504;MM250504;COCC(O)COC(C)C;OSPAIDSTZHWQPG-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250505;MM250505;CCOC(C)COC(C)C;VGENLUFKUDLPGI-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250506;MM250506;CCCC(C)NCC(C)C;UQKSCZMKSORUNP-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250507;MM250507;CCCC(C)NCC(C)N;CNMIOPFBTOFGQE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250508;MM250508;CC(N)CNC(C)CCF;HUEZGDNFXILECG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250509;MM250509;CCCC(C)NCC(C)O;UCRJFMNYDQFBFX-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250510;MM250510;CC(F)CNC(C)CCF;NYKVBWDTNXWMFP-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250511;MM250511;CNCC(C)NCC(C)C;ZGDHMGKDEVKRFA-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250512;MM250512;CNCC(C)NCC(F)F;AKLPLPYRNBGXOU-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250513;MM250513;COCC(C)NCC(C)N;KKMCCYAJCHNBAR-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250514;MM250514;COCC(C)NCC(C)O;USPMIQWZHNWVQS-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250515;MM250515;CC(O)COC(C)CCO;PQMXVEASZROXHB-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250516;MM250516;CC(O)COC(C)CCF;BVPKFIDFHKGYQS-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250517;MM250517;CNCC(C)OCC(C)N;FDVZLTBUDZIXPJ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250518;MM250518;CNCC(C)OCC(C)O;FJBWLOBBCLWKQA-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250519;MM250519;COCC(C)OCC(C)N;QADXVXGIHZYVQI-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250520;MM250520;CCOC(C)OCC(C)O;YXFZPXQEIOFYRW-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250521;MM250521;CCCC(N)CCN(C)C;ZLNYAYUHRGEPKE-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250522;MM250522;CCCC(O)CCN(C)C;IAHWKPNPSMEIFO-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250523;MM250523;CN(C)CCC(O)CCN;OFSZSXQPKOQPQU-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250524;MM250524;CCCC(F)CCN(C)C;YMZNROJGDCIHPJ-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250525;MM250525;CNCC(F)CCN(C)C;GMQLAYULQBUOGQ-UHFFFAOYSA-N;148.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250526;MM250526;CC(C)CCN(C)CCN;ZOIZDJBIEWYLFM-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250527;MM250527;CC(N)CCN(C)CCF;AXJMDYRTNYZOPK-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250528;MM250528;CCCN(C)CCC(C)F;BJTAQDUUEVIAKE-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250529;MM250529;CCCN(C)CCN(C)C;OCZSNIABVJCQDB-UHFFFAOYSA-N;144.26;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250530;MM250530;CN(C)CCN(C)CCO;LSYBWANTZYUTGJ-UHFFFAOYSA-N;146.23;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250531;MM250531;CC(C)CCC(C)CC#N;OENLOBHLXYCYDJ-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250532;MM250532;CN(O)C=NN=CC(N)=O;OBWUAOWRBQZNCH-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250533;MM250533;CC(CC=O)CCC(F)F;CXOYGBVJIHJJSK-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250534;MM250534;C=CCC(N)CCC(C)N;XKKMDUQRHNMXPE-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250535;MM250535;C=CCC(N)CCC(C)O;AJBPZJXBJGNXSL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250536;MM250536;C=CCC(N)CCC(C)F;IWAKGGRGRCNRRJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250537;MM250537;CC(C)CCC(O)CC#N;OQHZIIBPXIBTGN-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250538;MM250538;CC(O)CCC(O)CC#N;QMEMDWKYOPYHAE-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250539;MM250539;C=CCC(O)CCC(F)F;GYUQEJKHGCTWIR-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250540;MM250540;CC(C)CCC(F)CC#N;DBHNVMCEYGSEGO-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250541;MM250541;C=CCC(F)CCC(C)N;QRYDRZBYPRBSNZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250542;MM250542;C=CCC(F)CCC(C)F;QXSBAGYRKCXIHE-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250543;MM250543;CCC(C)(O)CC=NNC;PTSBLAOOYFDJKX-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250544;MM250544;CC(F)CCC(C)NC=N;KTXQGZOICYJMPL-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250545;MM250545;CCC(C)(O)CC=NOC;NVFIZRWQINXXJT-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250546;MM250546;CC(CCC(F)F)NC=N;HGKMSUSAOJGYNR-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250547;MM250547;CC(CCC(F)F)NC=O;QEBZIOVNBLPLMJ-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250548;MM250548;C=NNC(C)CCC(C)C;WYJSPQOZPBBZHN-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250549;MM250549;C=C(CC(C)=NN)C(C)O;KPBZAZSNRKQQME-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250550;MM250550;C=NNC(C)CCC(F)F;WYCYFMBLFFQKSV-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250551;MM250551;CC(N)CCC(C)OC=O;CZPBCRIRPVHYQN-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250552;MM250552;CC(O)CCC(C)OC=O;BHNKXOGOQQYZSV-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250553;MM250553;CC(F)CCC(C)OC=O;STSJMZVPNJTLOD-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250554;MM250554;C=COC(C)CCC(F)F;WLXCVPJMWKXGLI-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250555;MM250555;NC(=O)CN=C(N)C(F)F;ZLYOZUOIXGXZCY-UHFFFAOYSA-N;151.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250556;MM250556;C=CCC(C)CNC(C)C;BTQTWACFRSKNDQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250557;MM250557;CC(CC=O)CNC(C)C;YGLGDDPMSHUZHX-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250558;MM250558;C=CCC(N)CNC(C)C;CEHGSDCCIBSCSK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250559;MM250559;CC(C)NCC(O)CC=O;XNSYUMFYJVTXGB-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250560;MM250560;C=CCC(F)CNC(C)C;NTSAZYHMFYGXPZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250561;MM250561;CC(C)NCC(F)CC=O;SGAHGBWDAAYJOK-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250562;MM250562;CC(C)NCC(C)NC=N;MVNACJJNIVWKDF-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250563;MM250563;CC(C)NCC(C)NC=O;CXVIKHJPQAAAQQ-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250564;MM250564;C=NNC(C)CNC(C)C;TUIDLFNYMOQLDP-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250565;MM250565;C=CCC(C)COC(C)C;HYTOQUBOAJOVOB-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250566;MM250566;CC(C)OCC(O)CC#N;WTJHRUFJZWYTQC-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250567;MM250567;C=NNC(C)COC(C)C;IEYYGSQXPUVGNH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250568;MM250568;C=CCC(C)NCC(C)C;QYCJICGYFAVXHG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250569;MM250569;CC(C)CNC(C)CC#N;YPUBTWQRICTXRB-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250570;MM250570;C=CCC(C)NCC(C)N;DKKJEYHGGUHMMF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250571;MM250571;C=CCC(C)NCC(C)O;SCBCIAZOLCIPGT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250572;MM250572;CC(O)CNC(C)CC=O;KDAUAWCWILPXCT-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250573;MM250573;C=CCC(C)NCC(C)F;GQPBZUXKARKGOT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250574;MM250574;CC(F)CNC(C)CC=O;KGZAYCNZUNFDDY-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250575;MM250575;C=CCC(C)OCC(C)N;SQRNIBFWIWDBSK-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250576;MM250576;C=COC(C)OCC(C)O;FJZSPCXEVQGKGH-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250577;MM250577;C=CCC(C)CCN(C)C;RHWHYYBZOQONKK-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250578;MM250578;CC(CC=O)CCN(C)C;LBZUHIJJDDFFCP-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250579;MM250579;C=CCC(F)CCN(C)C;QXRASPAFYYCHDS-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250580;MM250580;CC(CCN(C)C)NC=N;HZMSQRAVODJTBT-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250581;MM250581;C=COC(C)CCN(C)C;QNGZRVYXYPUDAL-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250582;MM250582;CC(CCN(C)C)OC=O;NVDLQZHARAALBZ-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250583;MM250583;C=NOC(C)CCN(C)C;HQATVXXXHYZFKH-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250584;MM250584;C=CCN(C)CCC(C)C;GQVKFZMEBWAPJS-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250585;MM250585;CC(C)CCN(C)CC#N;XVWIZQRDBHASGT-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250586;MM250586;CC(F)CCN(C)NC=N;JEUXVHLXAPUQLH-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250587;MM250587;CC(F)CCN(C)NC=O;SXZLPDRPZZIIAP-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250588;MM250588;C#CCC(C)CCC(C)C;OFRMAQCDVQWOPL-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250589;MM250589;C#CCC(C)CCC(C)N;YNFZILXOWJJBOC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250590;MM250590;C#CCC(C)CCC(F)F;OFJIYVZJQHJOGT-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250591;MM250591;C#CCC(N)CCC(C)C;WSRFQRBLCJYLSR-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250592;MM250592;C#CCC(N)CCC(C)N;WOVBRFVJMQTPCC-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250593;MM250593;C#CCC(O)CCC(C)F;QMXHNHZCBZBMHL-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250594;MM250594;C#CCC(F)CCC(C)C;ASPIFKSUXVCXER-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250595;MM250595;C#CCC(F)CCC(C)O;ATPSLDFDNIGFTL-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250596;MM250596;C#CCC(C)CNC(C)C;XOKOYQAALBCSDZ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250597;MM250597;C#CCC(C)NCC(C)F;INNFPAOMVSIXFX-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250598;MM250598;C#CCC(C)CCN(C)C;SUUUAFPKZGELDG-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250599;MM250599;C#CCC(N)CCN(C)C;UHROBNGKUPYPPF-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250600;MM250600;C#CCC(O)CCN(C)C;FTGBFOQEFBPDNT-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250601;MM250601;C#CCN(C)CCC(C)C;DMULAEYWJKKTNS-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250602;MM250602;C#CCN(C)CCC(C)N;KTUMJROAQKIRHE-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250603;MM250603;CCCC(C)CCC(C)=O;UPVLGOPSYZTLGB-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250604;MM250604;CC(CCN)CCC(=N)N;DQNJLKKEMGQMJN-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250605;MM250605;C#CC(CO)C(=O)N(C)N;KAQMARHQBLAQAH-UHFFFAOYSA-N;142.16;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250606;MM250606;CC(CCN)CCC(N)=O;SDATWFWUJDZVAF-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250607;MM250607;C=C(CC=NOC)C(C)O;KRYOOFODVFMMEF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250608;MM250608;CN1CC1CC#CC(N)=O;BQJPHRPKOWDPTJ-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250609;MM250609;C=C(F)CCC(C)CCN;SYHJBKWZLOQFQT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250610;MM250610;C=C(C)CCC(N)CCF;NDKMDJCLPALBQQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250611;MM250611;NC(=O)CCC(N)CCF;IWGFBIOGKOJAPJ-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250612;MM250612;C=C(F)CCC(N)CCF;ISYSZNBBGMGDGF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250613;MM250613;CCCC(O)CCC(C)=O;KZPPEBIAPHLFQD-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250614;MM250614;CCCC(O)CCC(N)=O;GSNKFWHBGKGGAD-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250615;MM250615;CC(CC(N)=O)CC(=O)O;GYMMMYYXGIJSQK-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250616;MM250616;C=C(F)CCC(O)CCN;FVGADZLHGHBICH-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250617;MM250617;C=C(C)CCC(F)CCN;DEWGHVASBZIHPX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250618;MM250618;C=C(C)CCC(F)CCO;ULKWQCUFEQKGNT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250619;MM250619;C=C(C)CCC(F)CCF;CYKOFJJUAARIML-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250620;MM250620;CCCC(F)CCC(C)=O;SAFJTNQNVUHBOL-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250621;MM250621;CC(=O)CCC(F)CCF;ZVRXUXRWEYRWMZ-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250622;MM250622;CCCC(F)CCC(=N)N;AAWWTTVKFMUXTN-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250623;MM250623;N=C(N)CCC(F)CCF;DYMKHTNHJRFEHW-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250624;MM250624;CN(C)N=CC(=CF)CO;ZFFLGYSCHMWCQT-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250625;MM250625;NCCC(F)CCC(N)=O;NRXMVNJRJGDUDO-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250626;MM250626;O=C(O)CCC(F)CCF;PFUAYRZYISUIMS-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250627;MM250627;C=C(F)CCC(F)CCC;ZQLRFAXRTSQQDK-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250628;MM250628;C=C(F)CCC(F)CCN;PRPKNWAVQUUQBG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250629;MM250629;C=C(F)CCC(F)CCO;JJQPOJGPHHYTCW-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250630;MM250630;CNCC(C)CCC(N)=O;ILJNSPTYWLPTIJ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250631;MM250631;C=C(F)CCC(C)CNC;QIKQKUCMLVDULO-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250632;MM250632;C=C(F)CCC(F)CNC;KKQFSJDDVHPAON-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250633;MM250633;N#CC(O)(C=CF)C=NO;OFNPBKXQMWXEBC-UHFFFAOYSA-N;144.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250634;MM250634;C#Cc1noc(=N)[nH]1;QZKOEWAKRWYEIG-UHFFFAOYSA-N;109.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250635;MM250635;C=C(C)CCC(C)NCC;GTUVLOSYEVOETN-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250636;MM250636;CCOC(C)CCC(=N)N;ARTIBXNDCKUYQE-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250637;MM250637;CCCC(C)CNC(C)=N;NOTSGHWTCRYKHX-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250638;MM250638;CC(=N)NCC(C)CCF;SSUXPHGIDDUSAT-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250639;MM250639;CC(=O)NCC(C)CCN;CNIOFGRSRFWOKN-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250640;MM250640;CC(=O)NCC(C)CCF;YJOBZXFTZMICFZ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250641;MM250641;CCCC(C)CNC(=N)N;XAQWZIMFZBLQRO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250642;MM250642;CCCC(N)CNC(=N)N;CVACULDQIMGVSV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250643;MM250643;CCCC(N)CNC(N)=O;XGNAMLFJQPTJJK-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250644;MM250644;CCCC(O)CNC(C)=N;UPXNUQKGHZLXAS-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250645;MM250645;CCCC(O)CNC(=N)N;RNAQZZYBDVKTGN-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250646;MM250646;CCCC(O)CNC(N)=O;BNUPDVJURQEMEZ-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250647;MM250647;CCCC(F)CNC(C)=N;VKLMHLXMOOGXTO-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250648;MM250648;CCCC(F)CNC(C)=O;GVILDIWLCHOYEO-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250649;MM250649;CC(=O)NCC(F)CCF;QLJQRULNKXZZDC-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250650;MM250650;N=C(N)NCC(F)CCF;MGKQOBWCTISBSH-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250651;MM250651;NCCC(F)CNC(N)=O;GRPIUDGFISWIQP-UHFFFAOYSA-N;149.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250652;MM250652;CNCC(C)CNC(C)=N;ZKLGDRUNRRBXAO-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250653;MM250653;CNCC(C)CNC(=N)N;HPCBJCSBVZQARC-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250654;MM250654;CNCC(F)CNC(C)=N;VWCGDXONGGMTCR-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250655;MM250655;COCC(C)CNC(=N)N;OYECUVVLVGJINB-UHFFFAOYSA-N;145.21;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250656;MM250656;COCC(O)CNC(=N)N;IRCNSRMWBWMDAK-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250657;MM250657;COCC(O)CNC(N)=O;AWUPJQDBKDGMRY-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250658;MM250658;CCNC(C)CNC(N)=O;NEFDQBCBGUKZJQ-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250659;MM250659;CCOC(C)CNC(C)=O;AACDYQRNHRRKAU-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250660;MM250660;CC(=O)OCC(C)CCF;QULXWMCFWDKIKQ-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250661;MM250661;CCCC(C)COC(=N)N;GHCMOLWNNNITLL-UHFFFAOYSA-N;144.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250662;MM250662;CC(CCN)COC(=N)N;YLZHIHBHHPMDBK-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250663;MM250663;CC(CCO)COC(=N)N;MGGXQBLAKUXJKB-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250664;MM250664;CCCC(C)COC(N)=O;BORRDMYMMMZNPR-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250665;MM250665;C=C(C)OCC(N)CCF;LQYMELDHDNZSLB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250666;MM250666;CCCC(N)COC(C)=O;RRGOTFTVZKHFOP-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250667;MM250667;CC(=O)OCC(N)CCF;MJCVRPJFWITMKL-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250668;MM250668;CCCC(N)COC(=N)N;SPXUMPUVECRJOC-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250669;MM250669;NC(=O)OCC(N)CCF;HCQNBOCZIZYFLL-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250670;MM250670;CCCC(O)COC(C)=O;VUGQTWPHBILZJV-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250671;MM250671;CC(=O)OCC(O)CCO;AGCGTPWBMIBOEO-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250672;MM250672;CCCC(O)COC(=N)N;DSLFSHVBKXOOJJ-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250673;MM250673;C=C(C)OCC(F)CCC;ZDNXUYYUGMMKIG-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250674;MM250674;N=C(N)OCC(F)CCF;NFAJABDAZUOVAA-UHFFFAOYSA-N;152.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250675;MM250675;NCCC(F)COC(N)=O;USUWYVRZSLVFKO-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250676;MM250676;NC(=O)OCC(F)CCF;VKDQHWDFPYHUOX-UHFFFAOYSA-N;153.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250677;MM250677;C=C(C)OCC(C)CNC;XQHBGKUXGDKEGZ-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250678;MM250678;CNCC(C)COC(N)=O;OZHNHTGXZJNULK-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250679;MM250679;C=C(C)OCC(F)CNC;LOWJEHJMPGSFOR-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250680;MM250680;COCC(C)COC(=N)N;CVHQFHWGIJXACV-UHFFFAOYSA-N;146.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250681;MM250681;COCC(N)COC(C)=O;AAJGUOFPOFMVOB-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250682;MM250682;C=C(C)OCC(O)COC;KBBMCUSENBYWFM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250683;MM250683;COCC(O)COC(C)=O;JEDSBSJEOMARSR-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250684;MM250684;COCC(O)COC(=N)N;FMRAXXJBHCZPJO-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250685;MM250685;CCNC(C)COC(C)=O;KUYSZIZWJMFAQK-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250686;MM250686;CCNC(C)COC(=N)N;ZMQIMNIDHLECGV-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250687;MM250687;CCNC(C)COC(N)=O;AEABMIFTIWCWJE-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250688;MM250688;CCOC(C)COC(=N)N;FUYCAKHGKUIIHL-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250689;MM250689;C=C(C)CNC(C)CCC;SHSXVMDSXQUFEK-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250690;MM250690;CCCC(C)NCC(=N)N;QANWVQOEDAOLRN-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250691;MM250691;CCCC(C)NCC(N)=O;CYUPFUJKHXVQIT-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250692;MM250692;C=C(C)CNC(C)CNC;CSTNRSLAEISYRF-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250693;MM250693;CCCC(C)NNC(C)=N;DLZYMYZRCGBGMA-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250694;MM250694;CC(=N)NNC(C)CCF;SKEJSKVQXOVEEU-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250695;MM250695;C=C(CO)C(=O)N(C)C=N;ILILUFYGOFNSOH-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250696;MM250696;CNCC(C)NNC(C)=O;IEKMCQMGAIZQDA-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250697;MM250697;CC(CCF)OCC(N)=O;JBMLXJYYRAHRNB-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250698;MM250698;CNCC(C)OCC(N)=O;UNMAHZTUNRDGPL-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250699;MM250699;CCOC(C)OCC(C)=O;MRAOABDLQSTRBJ-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250700;MM250700;CCOC(C)OCC(N)=O;DOHRXXLGOXEGSR-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250701;MM250701;C=CC(C)=NNCC(=O)O;ZCOJPXPPLAYHKI-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250702;MM250702;CC(=O)NOC(C)CCF;FSACQFSWCZQZKT-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250703;MM250703;CCCC(C)ONC(N)=O;LGOWWXFGETYPIS-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250704;MM250704;CCOC(C)ONC(=N)N;QPCSJAKRSUMPRC-UHFFFAOYSA-N;147.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250705;MM250705;C=C(C)CCN(C)CCC;DDHYGBLXALCDRD-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250706;MM250706;C=C(C)CCN(C)CCN;OLGXZTRYKAFRAG-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250707;MM250707;CCCN(C)CCC(C)=O;ALUSBKXZMIRVQQ-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250708;MM250708;CCCN(C)CCC(=N)N;KJEDYJAGLLEQKX-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250709;MM250709;CN(CCO)CCC(N)=O;PQZNSKMCPVYVJY-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250710;MM250710;C=C(F)CCN(C)CCN;XECSLLVMLRVIAQ-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250711;MM250711;C=C(C)CCC(C)CC=O;QJWFVWPBABNBCA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250712;MM250712;C=CCC(C)CCC(=N)N;KDYLCROPFBQTBE-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250713;MM250713;CC(CC=O)CCC(=N)N;HWWXIJMFGKZVNW-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250714;MM250714;CC(CC#N)CCC(=N)N;WCJFWBXTXNFHDK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250715;MM250715;CN=CNC(=N)C(=O)NC;OTBMVCBHOSGWTK-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250716;MM250716;C=CCC(C)CCC(=O)O;VVVULAUKXIOFGV-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250717;MM250717;Cc1nc(O)nc(=N)n1O;IYBQEEOJAZQJDP-UHFFFAOYSA-N;142.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250718;MM250718;CC(CC#N)CCC(=O)O;GGHJVSQIAJZSGV-UHFFFAOYSA-N;141.17;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250719;MM250719;C=C(F)CCC(C)CC=O;PHJXQICPSOHFIU-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250720;MM250720;C=C(F)CCC(C)CC#N;ROPJFWOBJGGYJT-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250721;MM250721;C=CCC(N)CCC(=N)N;OHZVBLTZMPNTBB-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250722;MM250722;C=CCC(N)CCC(=C)F;PERWAEFLFMOZGG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250723;MM250723;C=CC(F)C(CO)NN=C;QPLRIJXLTSHRBM-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250724;MM250724;C=C(C)CCC(O)CC#N;QIKRTKJXRKWEDP-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250725;MM250725;C=CCC(O)CCC(C)=O;IQJCSRWBXBSIKL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250726;MM250726;CC(=O)CCC(O)CC=O;UEAFSOXYYNVTGA-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250727;MM250727;C=CCC(O)CCC(N)=O;GVRUDCBDJAOAKN-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250728;MM250728;CN=c1ncc(O)nn1O;CMSXALLTKUJKEO-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250729;MM250729;C=CCC(F)CCC(=C)C;BGAJRQRXFBGHAN-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250730;MM250730;C=C(C)CCC(F)CC=O;HCHWIGHJUNJVGF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250731;MM250731;C=C(C)CCC(F)CC#N;CHTUYVKPUXDMFW-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250732;MM250732;C=CCC(F)CCC(C)=O;GYYQOARRBSBOFX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250733;MM250733;N=C(N)CCC(F)CC=O;QGSXACIWWMOKRO-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250734;MM250734;C=NN(C)C(C=NN)CO;WZAXBZDLPWLPSR-UHFFFAOYSA-N;144.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250735;MM250735;C=CCC(F)CCC(=O)O;ZYYOAGFAPBAKCB-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250736;MM250736;N#CCC(F)CCC(=O)O;BOKMVRFMSMJAEO-UHFFFAOYSA-N;145.13;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250737;MM250737;C=C(C)CCC(C)NC=N;HWFQCJBYUDYBBE-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250738;MM250738;C=NNC(CO)C(C)=NN;OYFPJBSDIBIVDL-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250739;MM250739;CC(CCC(=N)N)NC=N;DAECINZRAYQUFI-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250740;MM250740;C=C(F)CCC(C)NC=N;JAQATNKQIXLLNN-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250741;MM250741;Nc1nn(C=O)c(=O)n1N;MYWLMRYLUHAUBJ-UHFFFAOYSA-N;143.11;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250742;MM250742;C=NNC(C)CCC(=N)N;DQOACECJRSZYGC-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250743;MM250743;CC(CCC(=N)N)OC=O;VDYSVALICGTJJQ-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250744;MM250744;CC(CCC(N)=O)OC=O;AMDBFTGMAYYGRC-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250745;MM250745;CN=c1nc(O)cnn1O;SOJOQPQNBFKQCL-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250746;MM250746;C=C(F)CCC(C)OC=O;IHRBLCVHFBOPKQ-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250747;MM250747;N#CC=CNC(C=O)CO;RHAIUNYVZLOOPR-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250748;MM250748;C=NOC(C)CCC(=N)N;KVJYEHVZMLJGQB-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250749;MM250749;N=c1c(F)cnc(O)n1N;BDVLWVNLNKKVSZ-UHFFFAOYSA-N;144.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250750;MM250750;C=CCC(C)CNC(C)=N;CEXHUBDUMRDONX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250751;MM250751;CC(N)=NCC(C)CC=O;CZYRSUOSSQDPQB-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250752;MM250752;Nn1ccc(NO)nc1=O;AOAVPFGGMDNZFW-UHFFFAOYSA-N;142.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250753;MM250753;CC(=O)NCC(C)CC=O;OEBLSLFXFKPNTQ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250754;MM250754;CC(CC=O)CNC(=N)N;ZHTLWGPXXPXGDG-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250755;MM250755;CC(CC#N)CNC(=N)N;IAFZLDFPIPJDMV-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250756;MM250756;C=CCC(C)CNC(N)=O;GHDLCEDXFSLEAE-UHFFFAOYSA-N;142.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250757;MM250757;CC(CC=O)CNC(N)=O;AYWGTVKOQWEZES-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250758;MM250758;C=CCC(N)CNC(C)=N;QAKCTCBTSQYMMY-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250759;MM250759;C=CCC(N)CNC(=N)N;RLJMCYNHKVTRGX-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250760;MM250760;C=CCC(N)CNC(N)=O;OLCLBFKLGRCQOY-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250761;MM250761;CC(=N)NCC(O)CC#N;CIXNXYAGDNYXQH-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250762;MM250762;CC(=O)NCC(O)CC#N;ADKSGZLTZAKHFG-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250763;MM250763;C=CCC(O)CNC(=N)N;LDFRCWRUCHKIIU-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250764;MM250764;N#CCC(O)CNC(N)=O;WAAZXKJQBFUVFS-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250765;MM250765;CC(=N)NCC(F)CC=O;NYIGNXGKYSGKOM-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250766;MM250766;CC(=O)NCC(F)CC=O;OYBRDOXUFGJJJW-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250767;MM250767;N=C(N)NCC(F)CC=O;KTGVVQCZRYWOPP-UHFFFAOYSA-N;147.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250768;MM250768;CC(=O)NCC(C)N=CN;KWAAEJPEUUFPHW-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250769;MM250769;CC(CNC(=N)N)NC=N;NXMFHVCJNMJVAH-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250770;MM250770;C=NNC(C)CNC(C)=N;AADISAJTEIXUIF-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250771;MM250771;C=NNc1ccn(NC)n1;XSLDQYXIRAJQFD-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250772;MM250772;CC(=O)NCC(C)OC=O;ACUIAHHGLFDVEN-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250773;MM250773;C=COC(C)CNC(=N)N;ZBXSBCICIOXODX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250774;MM250774;CCNn1ccc(CO)c1;IWULXJQLOZBDJB-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250775;MM250775;C=NOC(C)CNC(=N)N;QOXBPIYHHIALIH-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250776;MM250776;C=C(C)OCC(C)CC=O;DOZKKFFXSDGJEA-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250777;MM250777;CC(=O)OCC(C)CC=O;JMFDVDRXRIZZGX-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250778;MM250778;CC(=O)OCC(C)CC#N;KFXBXERTUSYQHK-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250779;MM250779;C=CCC(C)COC(=N)N;ZSBFPKABUXJAQU-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250780;MM250780;CC(CC=O)COC(=N)N;XRDSMUJGJHWNFJ-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250781;MM250781;C=CCC(C)COC(N)=O;VHXQZUBEQTVGLF-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250782;MM250782;C=CCC(N)COC(=C)C;GVECELZFVOKYMN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250783;MM250783;C=CCC(N)COC(C)=O;FOHQHQLZWJBRAI-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250784;MM250784;C=CCC(N)COC(=N)N;KVWSXLFLQVQEJY-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250785;MM250785;C=CCC(N)COC(N)=O;DAIJCJSDIQFYQI-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250786;MM250786;C=CCC(O)COC(=C)C;WXZMVTVLQCOEBI-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250787;MM250787;C=C(C)OCC(O)CC#N;IFUCHCSBGAQPSM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250788;MM250788;CC(=O)OCC(O)CC#N;BFIMTAVSWOPZOJ-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250789;MM250789;C=CCC(O)COC(=N)N;YHBRDFSRKZINSR-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250790;MM250790;N#CCC(O)COC(=N)N;RIDTYLFVNDQJIS-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250791;MM250791;C=CCC(O)COC(N)=O;ULNOVORDSICSDV-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250792;MM250792;N#CCC(O)COC(N)=O;QZNWXHIPVAUYKS-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250793;MM250793;C=C(C)OCC(F)CC=O;GZMRRBPDEDCBND-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250794;MM250794;C=CCC(F)COC(C)=O;ADXUHGKWJSRGJP-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250795;MM250795;N=C(N)OCC(F)CC=O;MEVMCKZPDGUUNU-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250796;MM250796;N#CCC(F)COC(=N)N;AJKFMWFYHAKWOS-UHFFFAOYSA-N;145.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250797;MM250797;NC(=O)OCC(F)CC=O;VPFJYABDYRXVTF-UHFFFAOYSA-N;149.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250798;MM250798;CC(=O)OCC(C)NC=O;YJDCDPFAHDEFPU-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250799;MM250799;CC(COC(=N)N)NC=N;DMXZGSBPHXNFPH-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250800;MM250800;CC(COC(N)=O)NC=N;XGJXASABFVRFIS-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250801;MM250801;C=CCC1NC(CO)C1=O;AWSSYNNSECGWPJ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250802;MM250802;C=COC(C)COC(C)=O;QHGQYGPKAPYZRA-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250803;MM250803;C=COC(C)COC(N)=O;RNXBMPCYHUOMJN-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250804;MM250804;CC(COC(N)=O)OC=O;DFZSEDZSXMFKSO-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250805;MM250805;C=NOC(C)COC(=N)N;GUKFXFMBFMVVOT-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250806;MM250806;C=CCC(C)NCC(=C)C;MPEHLYGRJORHHJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250807;MM250807;C=CCC(C)NCC(C)=O;MEKVPBXRXQGVSH-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250808;MM250808;C=Cn1ccc(CO)c1N;IBRYWCDZCYMJSU-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250809;MM250809;C=CCC(C)OCC(=C)C;NGTAJPORFSBUAL-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250810;MM250810;CC(=O)COC(C)CC=O;YRJNTCTUZMEPFS-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250811;MM250811;C=CCC(C)OCC(=N)N;OGGFKUKHDFPALD-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250812;MM250812;C=CCC(C)OCC(N)=O;KUVPGRJVQBTNQE-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250813;MM250813;C=COC(C)OCC(=N)N;NBBOIBYBFPIMIR-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250814;MM250814;C=COC(C)OCC(N)=O;JEJSNXAXSHKAQF-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250815;MM250815;CCCC(=O)CC(=O)C#N;DVQQYPDPVPDZOJ-UHFFFAOYSA-N;139.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250816;MM250816;CC(=N)NOC(C)CC#N;KMEBIDFKSWSADC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250817;MM250817;C=COC(C)ONC(C)=N;TUNVCOSMBSVAOK-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250818;MM250818;C=COC(C)ONC(=N)N;ZTPMGQPNIROAFG-UHFFFAOYSA-N;145.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250819;MM250819;C=COC(C)ONC(N)=O;GWDHSNZVWMEPNK-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250820;MM250820;C=NOC(C)ONC(C)=N;RSAHUVZVYSZCHS-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250821;MM250821;C=CCN(C)CCC(=C)C;URKUPGWUJCVMON-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250822;MM250822;CN(CC=O)CCC(=N)N;MMPVBFJHBDMFEO-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250823;MM250823;CN(CC#N)CCC(=N)N;XIIRYRKFFOWHOZ-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250824;MM250824;C=C(F)CCN(C)CC#N;VPGMDJKAOGBCQC-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250825;MM250825;CC(=O)CCN(C)NC=O;CHIAVIABRLGXEZ-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250826;MM250826;CN(CCC(N)=O)N=CN;UXWDUVZKIZUGBG-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250827;MM250827;C=C(F)CCN(C)NC=N;BKNFZSUVZJKCDU-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250828;MM250828;C=C(F)CCN(C)NC=O;OSNYPZYHAKYFTM-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250829;MM250829;C#CCC(C)CCC(=C)C;XVGDMSSKRHULHH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250830;MM250830;C#CCC(C)CCC(=N)N;UQOUZRYGPMAVKW-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250831;MM250831;C#CCC(C)CCC(=O)O;RWKKCIRNSZQICG-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250832;MM250832;C#CCC(N)CCC(=C)C;MEDYQECVJXYRDR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250833;MM250833;OCC(C=NN1CC1)=CF;JLDMGVMZMHEFEQ-UHFFFAOYSA-N;144.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250834;MM250834;C#CCC(O)CCC(C)=O;GHKDKPUAFXQHIH-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250835;MM250835;C#CCC(O)CCC(=N)N;VCROTTBEKDQALX-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250836;MM250836;C#CCC(F)CCC(=C)C;AZHOHHSWQPNTLM-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250837;MM250837;C#CCC(C)CNC(C)=N;YFTYTZDUCSNBGT-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250838;MM250838;Nc1ncn(N)n1;YQILXSTZHODCQL-UHFFFAOYSA-N;99.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250839;MM250839;C#CCC(C)CNC(=N)N;LLQZOXYBVHNBGO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250840;MM250840;C#CCC(N)CNC(C)=N;XGLNITPHMLDYOY-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250841;MM250841;C#CCC(N)CNC(N)=O;MNQPONXSJULWRA-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250842;MM250842;C#CCC(O)CNC(N)=O;KSVDWOGPGUSDAX-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250843;MM250843;C#CCC(C)COC(C)=O;DRDHZDMYXKJEMD-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250844;MM250844;C#CCC(C)COC(=N)N;RPTFQHKVXBVRLN-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250845;MM250845;C#CCC(C)COC(N)=O;ZNJGPULDQXKIHX-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250846;MM250846;C#CCC(O)COC(C)=O;KKSTXQPVRAKDNT-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250847;MM250847;C#CCC(O)COC(N)=O;XQNVHQVBUZSFDN-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250848;MM250848;C#CCC(F)COC(C)=O;ZQSHGIWRBKTBPY-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250849;MM250849;C#CCC(C)NCC(=C)C;JKWIDKUABCACQP-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250850;MM250850;C#CCC(C)NNC(C)=N;QKVFOPZNIQAVOG-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250851;MM250851;C#CCC(C)ONC(C)=O;UKNTXNWFZDRNPC-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250852;MM250852;C#CCN(C)CCC(=C)C;CQDOUBCOOYTOHT-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250853;MM250853;C=C(CCC)CCC(C)C;VJSVVFXUUNDRRK-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250854;MM250854;C=C(CCC)CCC(C)N;OPOUQSWYLUADQS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250855;MM250855;C=C(CCO)CCC(C)N;ANVCIJBHZFCIJP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250856;MM250856;C=C(CCF)CCC(C)N;LDBFAYGVUNVXDU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250857;MM250857;N=C(C=C(F)F)NO;NGLRXYADJUYAHX-UHFFFAOYSA-N;122.07;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250858;MM250858;C=C(CCN)CCC(C)O;KZJSUAXQZYRICA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250859;MM250859;OCCN1CC1CO;DGSIDLFDHWKNCD-UHFFFAOYSA-N;117.15;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250860;MM250860;C=C(CCC)CCC(C)F;MFDIYGIBNLQVOM-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250861;MM250861;C=C(CCN)CCC(C)F;ZEQQPBQYNXTQLF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250862;MM250862;C=C(CCF)CCC(F)F;MRHFMOJYYKATIR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250863;MM250863;CC(C)CCC(=O)CCO;CGKICHLZJBAZAS-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250864;MM250864;CCCC(=O)CCC(C)O;ZZKXYXAYFLYHFF-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250865;MM250865;C=C(CCC(C)C)CNC;OOYMNGQQIABIOW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250866;MM250866;C=C(CCC(C)F)CNC;UWKLJFGVNQNJHO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250867;MM250867;CNCC(=O)CCC(C)C;VLJCSFXFWHPUMQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250868;MM250868;C=C(CCC(F)F)COC;OEXOFODSDIYULC-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250869;MM250869;CCNC(=N)CCC(C)C;BBEKOVARJAVFKR-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250870;MM250870;CC(C)(O)CN(N)C=O;CMZVADHHOASCOJ-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250871;MM250871;CCNC(=O)CCC(C)F;XUYSCXDEBXVGAD-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250872;MM250872;CCNC(=O)CCC(F)F;WKHDLPZOIJZXBA-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250873;MM250873;CNNC(=N)CCC(C)C;RVQJQUXDVYGCHZ-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250874;MM250874;C#CC(N)(C#C)C(N)=O;NOGABTLZRRGSKI-UHFFFAOYSA-N;122.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250875;MM250875;CC1(C#N)NC1C(N)=O;ZWJMYSVCWKPFTQ-UHFFFAOYSA-N;125.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250876;MM250876;CCOC(=O)CCC(C)N;GLFMNINNXRUOQV-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250877;MM250877;CCOC(=O)CCC(C)O;RATJOUJXNFFTQR-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250878;MM250878;C=C(CCC)CNC(C)C;YZLOQAZIXORTPV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250879;MM250879;C=C(CCF)CNC(C)C;JJGLWCXMWPSGCS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250880;MM250880;CCCC(=O)CNC(C)C;LPLAHOFYSXSUTG-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250881;MM250881;COCC(=O)CNC(C)C;FIRIJEQQHANRDX-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250882;MM250882;C=C(CCC)COC(C)C;ILPRHZXBNYDZNL-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250883;MM250883;CCNC(=N)COC(C)C;GOHUFBLMROXHKT-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250884;MM250884;CCCC(=N)NCC(C)C;ZXIVNYXUJYLMRH-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250885;MM250885;CC(C)CNC(=N)CCF;CPCNVYJKVXNCDZ-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250886;MM250886;CCCC(=N)NCC(C)O;BXHNLMNPBSZHAB-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250887;MM250887;CC(O)CNC(=N)CCN;MAFZANUJXUEMPL-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250888;MM250888;N=C(CCF)NCC(F)F;CCUCKYYWRJRCLL-UHFFFAOYSA-N;154.14;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250889;MM250889;C#CC=NOCC(N)=O;BAYBAWHZGOSYPV-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250890;MM250890;CC(C)CNC(=O)CCN;VLGWASXIZDWMOY-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250891;MM250891;CCCC(=O)NCC(C)N;QGUFMIWRQUYOHZ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250892;MM250892;CCCC(=O)NCC(C)F;AIVVMRGKKWGRMZ-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250893;MM250893;CCCC(=O)NCC(F)F;NFKKDKLITYMOPA-UHFFFAOYSA-N;151.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250894;MM250894;CNCC(=N)NCC(C)C;ZLMPIBLMXQUYKQ-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250895;MM250895;COCC(=N)NCC(C)N;GFAAKCNYBFZUTR-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250896;MM250896;COCC(=N)NCC(C)O;FGTOEJQNSQSLPV-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250897;MM250897;CCNC(=N)NCC(C)N;VWVFDXDXMKKTFA-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250898;MM250898;CCNC(=N)NCC(C)O;CACCBYRTGUPNNA-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250899;MM250899;CNNC(=N)NCC(C)N;DCAIZQJEJXLATN-UHFFFAOYSA-N;145.21;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250900;MM250900;CNNC(=N)NCC(C)O;TWAXQMSZUMDLLU-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250901;MM250901;CNNC(=N)NCC(F)F;ZZKYDURVNSYYIY-UHFFFAOYSA-N;152.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250902;MM250902;CNNC(=O)NCC(C)N;GWWLHPCHYJYYAM-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250903;MM250903;C=NNC(CO)C(C)F;JJPRONWVHOOTLM-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250904;MM250904;Cc1c(CF)n[nH]c1N;LOQUGTYHZLCYJA-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250905;MM250905;CN1N=CC2(CO)CC12;JIMXVMGEDMETTB-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250906;MM250906;CONC(=N)NCC(C)O;ZULLVMVIEXGKCS-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250907;MM250907;CONC(=O)NCC(C)O;QZOJPXAWWRKJDF-UHFFFAOYSA-N;148.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250908;MM250908;CONC(=O)NCC(C)F;PFXXPPHWDZWIQV-UHFFFAOYSA-N;150.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250909;MM250909;CCOC(=N)NCC(C)O;WEXOPDSANIIOSL-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250910;MM250910;CCOC(=O)NCC(C)C;XHQBGKPHDZWOHT-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250911;MM250911;CCOC(=O)NCC(F)F;VLLVGEYWUYLSNQ-UHFFFAOYSA-N;153.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250912;MM250912;CCCC(=N)NNC(C)C;OPPHQSVREUBIKB-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250913;MM250913;CC(C)NNC(=N)CCF;OMJIOOQYDGCHHA-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250914;MM250914;CNCC(=N)NNC(C)C;AVIZXRQEEVZNOX-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250915;MM250915;CCCC(=N)NOC(C)C;WSXQAZMYNFMRRT-UHFFFAOYSA-N;144.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250916;MM250916;COCC(=N)NOC(C)C;HUFNZJCXUJFYQD-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250917;MM250917;CCNC(=N)NOC(C)C;XZLIFZALHJSIKW-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250918;MM250918;C=C(CCF)OCC(C)O;OKIVMSHDCJMPTM-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250919;MM250919;C=C(CCN)OCC(C)F;NKQAKUBDOZMHRL-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250920;MM250920;CC(C)COC(=O)CCO;PHYFMVMFEQTCTR-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250921;MM250921;CC(C)COC(=O)CCF;OOKSDDORYYFFRT-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250922;MM250922;CCCC(=O)OCC(C)N;FOISVRHNIDTMGW-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250923;MM250923;CC(O)COC(=O)CCO;VZEZROHELNSJJN-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250924;MM250924;CC(O)COC(=O)CCF;OQQKXFDYVXZKMV-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250925;MM250925;CCCC(=O)OCC(C)F;IXLCOAUTHXGXDY-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250926;MM250926;CC(F)COC(=O)CCN;GUIVGAMFQZPNAO-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250927;MM250927;C=C(CNC)OCC(F)F;KHVDOSXIXBLZLK-UHFFFAOYSA-N;151.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250928;MM250928;COCC(=O)OCC(C)N;RESBQYNEEBXZGI-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250929;MM250929;CCNC(=N)OCC(C)N;QROOCPBCDWWPLD-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250930;MM250930;CCNC(=N)OCC(C)O;OTRSOAUPSDJRFS-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250931;MM250931;CCNC(=O)OCC(C)N;BPTUYMKCLDQIQK-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250932;MM250932;CNNC(=N)OCC(C)N;HYHHRWYFBQFHFB-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250933;MM250933;CNN(C=O)CC(C)(C)O;NUDWXFYZPWQYDL-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250934;MM250934;CONC(=O)OCC(C)C;LCKAILRXRKKZHA-UHFFFAOYSA-N;147.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250935;MM250935;C=C(CCC)CCN(C)C;RJSCHPZRQMXXHZ-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250936;MM250936;CNNC(=N)CCN(C)C;WQDFEQFSQZMIKY-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250937;MM250937;C=C(CC#N)CCC(C)C;UVWJCRGNFXJQQS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250938;MM250938;C=CCC(=C)CCC(C)N;JSQHJACUYUNTMC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250939;MM250939;CON=CC(C)C(C)(C)O;KONZDHYXZUISMM-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250940;MM250940;C=CC=NNCC(C)(C)O;UESMJWBOIMOTFP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250941;MM250941;CC(C)(O)CNN=CC=O;BJAUOHVCSITBDD-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250942;MM250942;C=C(CC=O)CCC(C)F;SNTPMWPDZMUAFG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250943;MM250943;C=CCC(=C)CCC(F)F;DQOZZPUAHGFUQE-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250944;MM250944;C=C(CC=O)CCC(F)F;NPTDAZHWHHPSTK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250945;MM250945;C=C(CC#N)CCC(F)F;RVKCHLGCCCQEPH-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250946;MM250946;C=CCC(=O)CCC(C)C;JQBWIXTWKRQMJY-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250947;MM250947;C=CCC(=O)CCC(C)O;VQYDCOQGDQOTJP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250948;MM250948;C=CCC(=O)CCC(C)F;XLAOLVIUZRNCQC-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250949;MM250949;C=CCC(=O)CCC(F)F;QTLSYUBATAMIBX-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250950;MM250950;C=C(CCC(C)N)NC=O;QSKUSWUBEGRXNL-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250951;MM250951;CC(=CN(N)C(N)=O)CO;PLASPIBHTUBDOS-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250952;MM250952;CNC(=O)N(N)CC(C)O;JPFGHPSGUPOOCH-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250953;MM250953;C=CNC(=O)CCC(C)C;DIXVQYUHWKTMJJ-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250954;MM250954;CN(O)C=NC=NCCO;NTYJVKHLWJCVIG-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250955;MM250955;C=CNC(=O)CCC(C)F;IBFZBWVHMCLFTI-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250956;MM250956;CC(C)C(O)CCC=NN;TVZVTNUQXPIPRX-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250957;MM250957;C=C(CCC(F)F)OC=O;NMIDWAQFQVAHLX-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250958;MM250958;C=C(CC=O)CNC(C)C;LUYAUVCVAVEAIQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250959;MM250959;C=CNC(=N)CNC(C)C;HKVRBHKZCGQJPL-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250960;MM250960;C=CNC(=O)CNC(C)C;MXGSCMVKKAEKJE-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250961;MM250961;CC(C)NCC(=O)NC=O;BWBOTTXEZBBXKF-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250962;MM250962;C=C(CNC(C)C)OC=O;CBBWUWNECKYHRO-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250963;MM250963;C=C(CC#N)COC(C)C;HOCIQYMEDPUALB-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250964;MM250964;C=CCC(=O)COC(C)C;XVXMVOFLIVTUKX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250965;MM250965;C=NOC(=O)COC(C)C;YEHLJCPMVKPOSI-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250966;MM250966;C=CCC(=N)NCC(C)C;KHIBCPHYIBOGTG-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250967;MM250967;CC(C)CN=C(N)CC=O;UJNSAKVZBLPNEL-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250968;MM250968;C=CCC(=N)NCC(C)F;YBFKRQPZJZOUAE-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250969;MM250969;CC1(C=O)C=CC(NO)=N1;CPNZEWHPEBRBFD-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250970;MM250970;CC(C)CNC(=O)CC#N;YCGSMOIWEZRTSG-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250971;MM250971;CC(O)CNC(=O)CC#N;HURUMLZSCDJWQK-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250972;MM250972;C=CCC(=O)NCC(C)F;YOFSJHXVZNONRF-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250973;MM250973;CC(F)CNC(=O)CC=O;DNJXQWXDQALNRB-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250974;MM250974;CC(F)CNC(=O)CC#N;OPGLEQFEQLJNSU-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250975;MM250975;C=CNC(=N)NCC(C)N;QHSIGPQOXVRLET-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250976;MM250976;CC(N)CNC(=N)NC=N;HYRNCUYJFSWXEL-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250977;MM250977;C=CNC(=N)NCC(C)O;GSIARWJIMYSKJA-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250978;MM250978;CC(O)CNC(=N)NC=O;DFHULOIGBKFLRW-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250979;MM250979;C=CNC(=N)NCC(C)F;XSKUBLWEFAAKFD-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250980;MM250980;CC(F)CNC(=N)NC=O;MGMMWFZDJHBZRM-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250981;MM250981;N=CNC(=N)NCC(F)F;WKUDQYKOIUJNQZ-UHFFFAOYSA-N;150.13;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250982;MM250982;N=C(NC=O)NCC(F)F;KZXCKTJPGUSNFP-UHFFFAOYSA-N;151.12;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250983;MM250983;C=CNC(=O)NCC(C)C;UTNOKCSZIQLKHV-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250984;MM250984;CC(N)CNC(=O)NC=N;XEAIYTLTDSMBIK-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250985;MM250985;C=CNC(=O)NCC(C)O;XIJMNTAEFQKSCM-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250986;MM250986;CC1(C#N)C=CC(NO)=N1;MYHPEYQPXSZVMB-UHFFFAOYSA-N;137.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250987;MM250987;C#CC1(C)C=CC(NO)=N1;ZCQRUTMRQICIQX-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250988;MM250988;O=CNC(=O)NCC(F)F;KVFFYIWNWYTTKX-UHFFFAOYSA-N;152.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250989;MM250989;C=NNC(=N)NCC(C)N;RWHSQLSSLNZQNJ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250990;MM250990;C=NNC(=N)NCC(C)O;VFRVFDTYXOCKPZ-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250991;MM250991;C=NNC(=O)NCC(C)N;VJUAYBSOLKEIJP-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250992;MM250992;C=NNC(=O)NCC(F)F;MEGRXEBPKSHOIB-UHFFFAOYSA-N;151.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250993;MM250993;CN=C(C=C(F)C#N)NO;ASSSIAUIBCIBHX-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250994;MM250994;CNC(=O)N(N)C=CCO;ASDCIGPTUYCOGA-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250995;MM250995;COC(C)=C(C=NN)CO;ZFFDJBUCSGGQJJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250996;MM250996;CC=NNC(CO)C(C)F;KKHPLISESDNSRS-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250997;MM250997;C=CCC(=C)OCC(C)N;MCDVIFQKINPBGX-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250998;MM250998;O=CCC(=O)OCC(F)F;FRMYYZPRYATDAJ-UHFFFAOYSA-N;152.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM250999;MM250999;N#CCC(=O)OCC(F)F;ZAJVKTANTWGMGC-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251000;MM251000;C=C(NC=N)OCC(C)C;OVKKNNTUBUWADH-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251001;MM251001;C=C(NC=N)OCC(C)O;DGSKFLWUHVPWMC-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251002;MM251002;C=C(NC=N)OCC(C)F;OKYJWMJLQXMMJM-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251003;MM251003;CC(N)COC(=N)NC=N;KSNRFBYGRBLPHH-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251004;MM251004;CC(N)COC(=N)NC=O;LBYLQDBACKGATH-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251005;MM251005;CC(O)COC(=N)NC=O;NVBCZRDLPAQIDM-UHFFFAOYSA-N;146.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251006;MM251006;C=CNC(=N)OCC(F)F;XLVSSZBZXBNQCY-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251007;MM251007;C=NNC(=N)OCC(C)N;MOUIEFXDRLTSRD-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251008;MM251008;CNC(C#N)C(=CF)CO;NGXOAELKUQBXGT-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251009;MM251009;CC=NOCC(=CF)CO;AXNOFPSUHONYPR-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251010;MM251010;C=COC(=O)OCC(C)O;KNWGTQQQTMVIFB-UHFFFAOYSA-N;146.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251011;MM251011;C=COC(=O)OCC(C)F;FEXYILZGJQZXTM-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251012;MM251012;C=COC(=O)OCC(F)F;LRTRRTZWJXMMGS-UHFFFAOYSA-N;152.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251013;MM251013;C=CCC(=C)CCN(C)C;HHKCAHRPECYAKE-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251014;MM251014;C=C(CC=O)CCN(C)C;YXNOIYBDTZJJNT-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251015;MM251015;C=COC(=O)CCN(C)C;MFRAJGADANXUAQ-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251016;MM251016;C#CCC(=C)CCC(C)N;PFIYQSMWCREXON-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251017;MM251017;CNN=CC=C(C=O)CO;YKOSMXBXNYBICW-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251018;MM251018;C#CCC(=O)CCC(C)C;UVFDJCFAXAMZCY-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251019;MM251019;C#CCC(=O)CCC(C)F;VMNDPIOITVBBIS-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251020;MM251020;C#CCC(=O)COC(C)C;TULVONIBILCFCC-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251021;MM251021;C#CCC(=N)NCC(C)C;XMOGAOBIZHOKRQ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251022;MM251022;C#CCC(=O)NCC(C)C;FKUSSJSZFYMVHO-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251023;MM251023;C#CCC(=O)NCC(C)O;XRELSEQALQSQMN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251024;MM251024;C#CCC(=C)OCC(C)C;PDAIHSXFYALAMH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251025;MM251025;C#CCC(=C)OCC(C)N;XRGZLXVYFGHOAW-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251026;MM251026;C#CCC(=C)OCC(C)O;YISJODWBVRBBDL-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251027;MM251027;C#CCC(=C)OCC(C)F;JLKGJIOOUDZWHF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251028;MM251028;C#CCC(=O)OCC(C)N;BIJCOJJSNPBCOA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251029;MM251029;C#CCC(=O)OCC(C)F;CIBQFXLKCICVIU-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251030;MM251030;C=C(C)CCC(=C)CCC;DIYPUDAGQCDZNA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251031;MM251031;C=C(C)CCC(=C)CCN;GTDOXJNCYNZCNW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251032;MM251032;CN(CCF)C(C=O)CO;JRFPHAQLVVGIIR-UHFFFAOYSA-N;149.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251033;MM251033;C=C(CCC)CCC(C)=O;IVYYGSCGHZPBJS-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251034;MM251034;C=C(CCC)CCC(=N)N;XIHBTGSBNDBLOL-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251035;MM251035;C=C(CCN)CCC(=N)N;QNAGESBJIBRDHF-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251036;MM251036;C=C(CCO)CCC(=N)N;LEMOMHNEOBJCHK-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251037;MM251037;C=NN(C=O)C(=O)COC;ZUZIQANDMVXTGS-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251038;MM251038;C=CN(C=O)NC1CC1O;WQAQZFVJCYWIEN-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251039;MM251039;C=C(CCF)CCC(=O)O;FAEZPNNPERPWOE-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251040;MM251040;C=C(F)CCC(=C)CCN;UAWIIVWXXLHVHC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251041;MM251041;C=C(C)CCC(=O)CCC;ZPKIFBVDYHRYAL-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251042;MM251042;CCCC(=O)CCC(=N)N;FXMMVSMNNOLVOT-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251043;MM251043;N=C(N)CCC(=O)CCO;HWHKSUZHSLVWLL-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251044;MM251044;NC(=O)CCC(=O)CCO;LJWJKZAUDPPBKY-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251045;MM251045;CCC(C=O)CC(=O)O;RCFZRGUATDQHHM-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251046;MM251046;C=C(CCC(=N)N)CNC;NHZFZUPGYNLZEB-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251047;MM251047;C=C(CCC(N)=O)CNC;PHIVKUZJGKYCIY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251048;MM251048;C=C(F)CCC(=C)CNC;JECMROYALBYUDI-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251049;MM251049;C=C(C)CCC(=O)CNC;WBRRKWRINJPPBC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251050;MM251050;CNCC(=O)CCC(=N)N;ONKFXWAKHIIWLP-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251051;MM251051;C=C(C)CCC(=O)COC;BUTAYFBQOQRSCK-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251052;MM251052;N=CN(C=O)NC1CC1O;GQWDNKYQQSFUCF-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251053;MM251053;CCNC(=O)CCC(=N)N;BAWZKVAZUVDABU-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251054;MM251054;CCNC(=O)CCC(N)=O;UGRUYRMDXYZLKY-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251055;MM251055;C=C(C)CCC(=N)NNC;XHWYAWNRGNAZQO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251056;MM251056;CNN=C(N)CCC(N)=O;NHEZDZOURZKOIT-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251057;MM251057;C=C(F)CCC(=N)NNC;PEFOSUOMNQCDHN-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251058;MM251058;O=CN(C=O)NC1CC1O;CLZFAEHSTCSGDD-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251059;MM251059;OCCNN=COCCO;PUNVFIJTPGJZPZ-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251060;MM251060;C=C(C)CCC(=N)NOC;KTIQJEBKLLGBFQ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251061;MM251061;C=C(F)CCC(=N)NOC;AOKCVYJDFGGSFS-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251062;MM251062;C=C(C)CCC(=O)NOC;PLBNUHFPGUNYAF-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251063;MM251063;CCN1N=CC2(CO)CC12;YGEJCNPWLGJQQM-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251064;MM251064;CCOC(=O)CCC(=N)N;WFLQKKAOJXSPIK-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251065;MM251065;CCOC(=O)CCC(N)=O;AJZOXCVIKHPZEU-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251066;MM251066;C=C(CCC)CNC(C)=N;NONSORPFDHEDPX-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251067;MM251067;C=C(CCN)CNC(C)=N;MQWVOCSYGSOFKR-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251068;MM251068;C=C(CCF)CNC(C)=N;ZDPFLUURXYBPRQ-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251069;MM251069;N=CN1N=CC2(CO)CC12;OLCUOGQLBFLINB-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251070;MM251070;C=C(CCC)CNC(=N)N;ZLOSHCJMPKVRLP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251071;MM251071;C=C(CCN)CNC(=N)N;MNZZHDOHBMAWNT-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251072;MM251072;C=C(CCN)CNC(N)=O;RGBFPQQFGZMXFP-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251073;MM251073;CCCC(=O)CNC(C)=O;NUSBKCDIMSJIJI-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251074;MM251074;CCCC(=O)CNC(=N)N;XUHCAYTTXMOXHM-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251075;MM251075;CCCC(=O)CNC(N)=O;HBJAJFUYQPMAFS-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251076;MM251076;C=C(CNC)CNC(=N)N;GKHMWBGKTSSGGD-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251077;MM251077;C=C(CNC)CNC(N)=O;MCXHAWACOUQHKC-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251078;MM251078;C=C(CNC(=N)N)COC;YLOOFKNWMMHHBC-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251079;MM251079;CCNC(=O)CN=C(C)N;QEFQCRRBVOLUCB-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251080;MM251080;CCNC(=O)CNC(N)=O;YSPRHRPMJYAILH-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251081;MM251081;C=C(CNC(C)=O)OCC;RIVDPYJJAUAVTF-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251082;MM251082;CCOC(=O)CNC(C)=O;AMBDTBHJFINMSE-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251083;MM251083;C=C(CCC)COC(=N)N;DBURGXFDBGFIRM-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251084;MM251084;C=C(CCN)COC(=N)N;VBNAFVABWBNXEM-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251085;MM251085;C=C(CCC)COC(N)=O;LFDKBBWQQIYJHV-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251086;MM251086;C=C(CCO)COC(N)=O;OXXCAYHBBPNVQE-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251087;MM251087;C=C(C)OCC(=O)CCC;FCTNUMICDIHYKR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251088;MM251088;C=C(C)OCC(=O)CCO;ZNWWQWDWYAXUQM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251089;MM251089;N=C(N)OCC(=O)CCF;JCHRKWLJDIAGJN-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251090;MM251090;CCCC(=O)COC(N)=O;BSVZGCUSZJQIGJ-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251091;MM251091;C=C(CNC)COC(=C)C;DKFORIDTMZBZQK-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251092;MM251092;C=C(CNC)COC(C)=O;DWRMYAFTWXECSB-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251093;MM251093;C=C(CNC)COC(=N)N;JYPPDFWRRNDMHV-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251094;MM251094;C=C(C)OCC(=N)NCC;SYNHVUUCFBKCFD-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251095;MM251095;CCN=C(N)COC(C)=O;NHPARSFGZHDGJR-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251096;MM251096;CCNC(=N)COC(=N)N;UPQKQXQVNYTFGM-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251097;MM251097;O=CN1N=CC2(CO)CC12;YWIQXZJOTDSKRW-UHFFFAOYSA-N;140.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251098;MM251098;C=C(C)OCC(=C)OCC;GLGAJYADOLHGJC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251099;MM251099;C=C(C)CNC(=N)CCC;SISKOVXTONPHGH-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251100;MM251100;C=C(C)CNC(=N)CCF;RNJZHCIRBRSXNF-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251101;MM251101;CCCC(=N)NCC(C)=O;WEUMREBFXNWOTI-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251102;MM251102;CCCC(=N)NCC(=N)N;UOJJCTSFNRBVFR-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251103;MM251103;N=C(N)CNC(=N)CCN;UYEFQWWDIBBHFX-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251104;MM251104;N=C(N)CNC(=N)CCO;YAAGRHAFQYFDGJ-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251105;MM251105;C=C(F)CNC(=N)CCC;SGXKRJPPLNUZRL-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251106;MM251106;C=C(F)CNC(=N)CCN;CSXIPSBBLZHISA-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251107;MM251107;C=C(F)CNC(=N)CCF;FORQPOCFYHGEGG-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251108;MM251108;C=NN1CC1C1C(C)C1O;SZKTYGAHVIRNKJ-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251109;MM251109;CC(CC=O)CC(=O)O;MZQMXZDYYODELO-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251110;MM251110;C=C(F)CNC(=O)CCC;OKMPVGANXNDCET-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251111;MM251111;COCC(=N)NCC(=N)N;DHYLXYUMWUMPHF-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251112;MM251112;COCC(=O)NCC(N)=O;UHEBWXAQVBXTLK-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251113;MM251113;C=C(CC(=C)C(=O)O)OC;KJJOZFSHOYEPNE-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251114;MM251114;CCNC(=N)NCC(C)=O;YAODCNHJZRCPHT-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251115;MM251115;CCNC(=N)NCC(=N)N;KCPFIWABTMCACZ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251116;MM251116;CCNC(=N)NCC(N)=O;TYCCPKMWGLZJEV-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251117;MM251117;CNNC(=N)NCC(=N)N;NZONLHBTWLSIFJ-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251118;MM251118;CNNC(=N)NCC(N)=O;LVRDUIFUYAXYEH-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251119;MM251119;C=NNC(CO)CF;JTJMRNKSJKNHFU-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251120;MM251120;CNNC(=O)NCC(=N)N;CATCGTUMTUXSJN-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251121;MM251121;CC(C)(O)C=CC(N)=O;JOGDKGWBTZOETK-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251122;MM251122;C=C(C)CNC(=N)NOC;YTGVVIWRAKBWDI-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251123;MM251123;CONC(=N)NCC(=N)N;NDWGEINPSOGGFS-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251124;MM251124;CONC(=O)NCC(N)=O;OCGBXALZLYNSDP-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251125;MM251125;C=C(F)CNC(=O)NOC;MQDPJHCIFRFBJD-UHFFFAOYSA-N;148.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251126;MM251126;C=C(C)CNC(=N)OCC;FYBGCSXMLJVLOX-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251127;MM251127;CCOC(=O)NCC(N)=O;MYSJOBGUIPUKSM-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251128;MM251128;CC(=O)NN=C(N)CCO;IMBPPWZIKMVLCE-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251129;MM251129;CCCC(=N)NNC(N)=O;TTYKGKWAJISDLA-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251130;MM251130;CC(C=NN)C(C)(C)O;DOGRZLIQRMJHTF-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251131;MM251131;CCCC(=O)NNC(C)=O;VDZPJCRCXIXADM-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251132;MM251132;N=C(N)NNC(=O)CCO;XVZOCANBFSWPHC-UHFFFAOYSA-N;146.15;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251133;MM251133;CNCC(=O)NNC(=N)N;DTNMEFXMMLBIER-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251134;MM251134;COCC(=N)NNC(C)=N;APSOKJDUIRVARJ-UHFFFAOYSA-N;144.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251135;MM251135;COCC(=N)NNC(=N)N;NBNYWZVIQXFYAW-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251136;MM251136;CCNC(=N)NNC(C)=N;LVHIWMFWIHRNFU-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251137;MM251137;CCNC(=N)NNC(=N)N;MCQDPMDTXMFXAV-UHFFFAOYSA-N;144.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251138;MM251138;CNNC(=N)NNC(C)=N;OGAORJPXOJVTPR-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251139;MM251139;CNNC(=N)NNC(=N)N;MTJCYBKQYOUJNW-UHFFFAOYSA-N;145.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251140;MM251140;CNNC(=N)NNC(N)=O;QDJYVZYVWSTMMK-UHFFFAOYSA-N;146.15;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251141;MM251141;CNNC(=O)NNC(C)=O;NPTKNVQBKKVHQV-UHFFFAOYSA-N;146.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251142;MM251142;CNNC(=O)NNC(=N)N;MNJYHHRWSDGPQN-UHFFFAOYSA-N;146.15;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251143;MM251143;CONC(=N)NNC(N)=O;UDSAKZUAMIYZQD-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251144;MM251144;CONC(=O)NNC(=N)N;YFIJHWLXHKHOSP-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251145;MM251145;CONC(=O)NNC(N)=O;MIDPHPHKZLBYMR-UHFFFAOYSA-N;148.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251146;MM251146;CCOC(=N)NNC(C)=N;SBUVSFIYUZSRNB-UHFFFAOYSA-N;144.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251147;MM251147;CC(=O)ON=C(N)CCN;LJNWNBLRXHXDAC-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251148;MM251148;CCCC(=N)NOC(=N)N;BURGDLNFPSRKHD-UHFFFAOYSA-N;144.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251149;MM251149;N=C(CCO)NOC(=N)N;VKHKHUJEWYRIEK-UHFFFAOYSA-N;146.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251150;MM251150;NC(=O)ONC(=O)CCO;HOVLDPNMGAADQE-UHFFFAOYSA-N;148.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251151;MM251151;COCC(=O)NOC(N)=O;KCLIPKPVLIEKDA-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251152;MM251152;CCNC(=N)NOC(C)=O;OYRWNNSBXNHCJU-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251153;MM251153;CNNC(=N)NOC(C)=O;NMVDJNYRHHVDCO-UHFFFAOYSA-N;146.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251154;MM251154;CNNC(=N)NOC(N)=O;UQRPGNOWWJNZND-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251155;MM251155;CNc1nc(C)c(C)o1;VHDGXEDVFWLGPX-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251156;MM251156;C=C(C)c1cc(C)[nH]n1;HZPZRQOPJHSENU-UHFFFAOYSA-N;122.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251157;MM251157;CONC(=O)NOC(N)=O;OUIJHDBJFDLZGP-UHFFFAOYSA-N;149.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251158;MM251158;CCOC(=N)NOC(C)=O;NIUHAHGQVDRMAE-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251159;MM251159;CN1CC1C1(C)CC1O;PYHSTZZQTSRKEP-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251160;MM251160;C=C(CCC)OCC(=N)N;WXQGLDXPLHCKPV-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251161;MM251161;C=C(CCO)OCC(=N)N;UIWVEAYRFYMDGQ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251162;MM251162;C=C(CCC)OCC(N)=O;NJNPLDNEJFRSRB-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251163;MM251163;C=C(CCO)OCC(N)=O;IXULRPZELZPRBA-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251164;MM251164;C=C(CCF)OCC(N)=O;QIRFJMTWWXIFPO-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251165;MM251165;NC(=O)COC(=O)CCO;ULUSZLRKXKWHGM-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251166;MM251166;Cc1c(CO)ccn1N;LUBQADHJNAHMCU-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251167;MM251167;COCC(=O)OCC(N)=O;MOCKXAOUDOJGRW-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251168;MM251168;C=C(F)COC(=O)NCC;VJTUSGJQCXBNEN-UHFFFAOYSA-N;147.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251169;MM251169;CNNC(=N)OCC(=N)N;CKQLMEKFIGXBSH-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251170;MM251170;N=CN(C=O)C1CC1O;SDVPAWLIWPMLCR-UHFFFAOYSA-N;128.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251171;MM251171;O=CCNC(C=O)CO;KNDSOUCESNLDCJ-UHFFFAOYSA-N;131.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251172;MM251172;CONC(=N)OCC(=N)N;CKCXXONEVGLFHI-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251173;MM251173;C=C(F)COC(=O)OCC;DDFUHFUKQPEBGT-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251174;MM251174;NC(=O)NOC(=O)CCO;GUETZVDCJUJSFJ-UHFFFAOYSA-N;148.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251175;MM251175;CC=NNC(CO)CF;RSENUEBAGFHFLS-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251176;MM251176;CNCC(=O)ONC(=N)N;OEVGELHXHTYRCX-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251177;MM251177;CNNC(=O)ONC(=N)N;WHAWVSXNTGBPLZ-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251178;MM251178;CONC(=N)ONC(=N)N;KNORJVLEANEVOD-UHFFFAOYSA-N;147.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251179;MM251179;C=NNCC1C(C)C1O;GCFABGDFVLQCSD-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251180;MM251180;C=CCC(=C)CCC(=C)C;RDVFZQRMBQDAEM-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251181;MM251181;C=C(C)CCC(=C)CC=O;ZGLWBUUXVDEGJR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251182;MM251182;C=C(C)CCC(=C)CC#N;LQYLOHFELHIWKY-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251183;MM251183;C=CCC(=C)CCC(C)=O;GXYFNAWBNLVYMN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251184;MM251184;C=C(CC=O)CCC(=N)N;UMFTYSOUXKPGMS-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251185;MM251185;C=C(CC#N)CCC(=N)N;AXDJLKNULPZHIT-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251186;MM251186;CNN=CC(C)C(C)(C)O;AQSZVEDSTGMVFA-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251187;MM251187;C=CCC(=C)CCC(=O)O;RRIUBEVUMNOKKP-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251188;MM251188;C=C(F)CCC(=C)CC=O;UNIXWHDHKSJJJK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251189;MM251189;C=C(F)CCC(=C)CC#N;GKDGNYWHMHLCFL-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251190;MM251190;C=CCC(=O)CCC(=C)C;UBMHMRXGAJALSZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251191;MM251191;C=CCC(=O)CCC(C)=O;PNGDWSWXCIGSGE-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251192;MM251192;C=CCC(=O)CCC(=N)N;ZSERTOPAPORKSN-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251193;MM251193;C=CCC(=O)CCC(N)=O;DLDZWYWKXJTNJR-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251194;MM251194;C=CCC(=O)CCC(=C)F;QOGAJYAFIRAFJE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251195;MM251195;C=C(C)CCC(=C)NC=N;GNDIVCIDXNIIMN-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251196;MM251196;C=C(CCC(N)=O)NC=N;JHBCYUJQBKQHCF-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251197;MM251197;C#CC(N)(C(N)=O)C(C)F;RUXMJESVYZPXPI-UHFFFAOYSA-N;144.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251198;MM251198;C=CNC(=N)CCC(C)=O;VAAHSGNCCYKCCJ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251199;MM251199;C=NOC(=O)OCC(N)=O;VUBAHSIYPMHWAD-UHFFFAOYSA-N;146.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251200;MM251200;C=CNC(=O)CCC(C)=O;UCCJJADSZALHMY-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251201;MM251201;C=CNC(=O)CCC(=N)N;KBZGKVSRLAELPN-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251202;MM251202;C=CNC(=O)CCC(=C)F;LDJOBZXLHJRGSN-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251203;MM251203;CN(CC#N)N=CC(N)=O;DKLGSCHBQDZAKU-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251204;MM251204;C=CC1(CCC(=O)O)CO1;UZIJYTPMWOGTHQ-UHFFFAOYSA-N;142.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251205;MM251205;NC(=O)CN=C(N)C(N)=O;OGHPTVIGMCLGRB-UHFFFAOYSA-N;144.13;-2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251206;MM251206;C=COC(=O)CCC(=C)C;PGVJAPIVXMJBIG-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251207;MM251207;C=COC(=O)CCC(N)=O;AZAONFRDCPGZOM-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251208;MM251208;CC(C)ONC(=O)CO;GPIGXNWAWSNQAC-UHFFFAOYSA-N;133.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251209;MM251209;CC(F)=CN=C(N)C(N)=O;HZOFWYVMLRAPLX-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251210;MM251210;C=CCC(=C)CNC(C)=N;PPIPJRXTBRTYCG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251211;MM251211;C=C(CC#N)CNC(C)=N;LASJFZDXNJGOAV-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251212;MM251212;C=C(CC=O)CNC(C)=O;FBLMUINORKWUPB-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251213;MM251213;C=C(CC=O)CNC(=N)N;ADRMAJKNOZCENB-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251214;MM251214;CC(=N)NCC(=O)CC#N;BOTRPEPDIFJHPY-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251215;MM251215;C=CCC(=O)CNC(=N)N;CSDRDDAUOOHASV-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251216;MM251216;N#CCC(=O)CNC(=N)N;HIPFPWYMWWVWPC-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251217;MM251217;N#CCC(=O)CNC(N)=O;TUTXGEXCEYGWAE-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251218;MM251218;C=C(CNC(C)=N)NC=O;GUBIQPTUUYNFTO-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251219;MM251219;C=CNC(=N)CNC(=N)N;ZABGNICVCWAQCZ-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251220;MM251220;N=CNC(=N)CNC(=N)N;OFCWHUJQPPKVSN-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251221;MM251221;C=C(CNC(=N)N)OC=O;CLFRKLMUOLVUQA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251222;MM251222;C=COC(=O)CNC(=N)N;ULJYQZLECSZCAU-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251223;MM251223;C=NOC(=O)CNC(C)=N;CYGLSQAOGNXLNC-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251224;MM251224;CNN=CCC(O)CC=O;OOQRPKBDNJAZAW-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251225;MM251225;C=CCC(=C)COC(=C)C;LNGOBENJAQSZLZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251226;MM251226;C=C(CC=O)COC(=C)C;CGELJOFCPZTMGD-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251227;MM251227;C=C(CC#N)COC(=C)C;IWRLSIYRCIKXEL-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251228;MM251228;C=C(CC=O)COC(N)=O;PXFJTEWDVQPFJZ-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251229;MM251229;C=CCC(=O)COC(=C)C;CZQDJCAYDHXJQI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251230;MM251230;N#CCC(=O)COC(=N)N;MASUVUPUEOAJMY-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251231;MM251231;C=CCC(=O)COC(N)=O;JCOLHURGXPOPQG-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251232;MM251232;C=C(COC(=N)N)NC=O;MMJNRJUXUNFACK-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251233;MM251233;C=CNC(=N)COC(=C)C;WHXYNDLFFRZOBV-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251234;MM251234;C=C(C)OCC(=N)NC=O;MJDLQNPVYYVWDH-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251235;MM251235;C=CNC(=N)COC(C)=O;PNGNOQBQKOLMTQ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251236;MM251236;N=CNC(=N)COC(=N)N;CASQBYHAVLMBJV-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251237;MM251237;C=CNC(=N)COC(N)=O;QIZLVQOWKOVUDD-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251238;MM251238;CC(CCO)=NOCCO;ZAPPRRRPSPRJEO-UHFFFAOYSA-N;147.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251239;MM251239;C=C(C)OCC(=O)NC=O;KJFUMPJEUVBWPM-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251240;MM251240;CC(=O)OCC(=O)NC=O;OSKAKFXHHTZYTJ-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251241;MM251241;C=CNC(=O)COC(=N)N;ZJTPERVINLJMAA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251242;MM251242;C=NN1CCC(C)(O)CC1;OUOYNRBSXANEIJ-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251243;MM251243;C=COC(=C)COC(N)=O;RYMINKREEAZDRV-UHFFFAOYSA-N;143.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251244;MM251244;C=COC(=O)COC(=C)C;RKOHHRAUVRCTFA-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251245;MM251245;C=NOC(=O)COC(=C)C;PXACEGPGHCNYFG-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251246;MM251246;CC(C)=NNC(CO)CF;GKTPGBCAOPSMDE-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251247;MM251247;C=CCC(=N)NCC(=C)C;LZCPXYVXZFTZTF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251248;MM251248;C=C(C)CN=C(N)CC=O;GSVCSCOHBQLDMI-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251249;MM251249;C=C(C)CNC(=N)CC#N;POHBORTYCHKORM-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251250;MM251250;CC(=O)CN=C(N)CC=O;OJOBJAOUXKZOGP-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251251;MM251251;C=CCC(=N)NCC(=N)N;GGZVMXWGPATRJI-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251252;MM251252;N#CCC(=N)NCC(=N)N;YPZOZXFWHPSAMY-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251253;MM251253;C=C(F)CNC(=N)CC#N;UZTCLQCKQILOPP-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251254;MM251254;C=C(C)CNC(=O)CC#N;IQYQRDPTBSKCPJ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251255;MM251255;CC(F)CONC(=O)CO;TUXTVKSJXHESCF-UHFFFAOYSA-N;151.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251256;MM251256;C=C(F)CNC(=O)CC#N;MZXMPEZVRQCSLS-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251257;MM251257;C=CNC(=N)NCC(C)=O;USASQOMDVJBMAQ-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251258;MM251258;CC(=O)CNC(=N)N=CN;YSSGDCUAMWNMST-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251259;MM251259;C=CNC(=N)NCC(=N)N;MAVDPBKEJAHTSI-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251260;MM251260;N=CNC(=N)NCC(=N)N;PJKINSHEYREIHP-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251261;MM251261;N=C(N)CNC(=N)NC=O;HAKVFMGERQJGDN-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251262;MM251262;C=CNC(=N)NCC(N)=O;WHZOEGNOKNTFNP-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251263;MM251263;N=CNC(=N)NCC(N)=O;AWZLNMUXPNODCB-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251264;MM251264;C=CNC(=N)NCC(=C)F;ZBDDOEPSKUIYBA-UHFFFAOYSA-N;143.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251265;MM251265;C=C(F)CNC(=N)NC=O;PTFSCLCQXLJOFS-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251266;MM251266;N=CNC(=O)NCC(=N)N;DQMVXPMPSKYSPB-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251267;MM251267;C=CNC(=O)NCC(N)=O;LABLVJPRWQJBEB-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251268;MM251268;NC(=O)CNC(=O)NC=O;XFWVGJUEOYZWHI-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251269;MM251269;C=CC1(O)CC1CC(=O)O;XDABPRJIUUWZKD-UHFFFAOYSA-N;142.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251270;MM251270;C=C(C=C(C)C(=O)O)CO;PIKOXQSFFHRQRU-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251271;MM251271;CNN=CNOC(=O)NC;DINQJRRIRKSDCX-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251272;MM251272;C=C(F)CNC(=O)NC=O;AEXGZOOKSWFIMH-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251273;MM251273;C=NNC(=N)NCC(=N)N;VXBQRNSQGHBBFR-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251274;MM251274;C=NNC(=N)NCC(N)=O;CYGWFOWLJBIWEC-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251275;MM251275;C=NNC(=O)NCC(=N)N;VNDMLUNREZEDGX-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251276;MM251276;C=NNC(=O)NCC(N)=O;YHQQRYFBHGBJSP-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251277;MM251277;C=NNC(=O)NCC(=C)F;BUMQBNRLBWSHAV-UHFFFAOYSA-N;145.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251278;MM251278;N=C(N)CNC(=N)OC=O;NBFQNABLFFAIGU-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251279;MM251279;COCC(CO)N(N)C=O;OHXDZGAVVGHRAJ-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251280;MM251280;C=NOC(=N)NCC(=N)N;PERVJGODHJMXGH-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251281;MM251281;C=COC(=NN)C(=C)CO;HTWASCOYSDGTCS-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251282;MM251282;C#CC#CC(C=NN)CO;VUPAZUXWVKAJCA-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251283;MM251283;C=NOC(=O)NCC(=N)N;VBAHAKHURTUICZ-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251284;MM251284;C=NOC(=O)NCC(N)=O;HJESFBPGQFHGCZ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251285;MM251285;CC(C)(CC(=O)O)C(N)=O;FTRBYFMNVREPPT-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251286;MM251286;C=NOC(=O)NCC(=C)F;BLUGBUMSKTZYIJ-UHFFFAOYSA-N;146.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251287;MM251287;CC(=N)NNC(=N)CC#N;LMONZXDEKHARFW-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251288;MM251288;N=C(N)NN=C(N)CC=O;VVCVPAIXSYADHO-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251289;MM251289;N#CCC(=N)NNC(=N)N;XLWISZDQJCWOLN-UHFFFAOYSA-N;140.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251290;MM251290;CC(=N)NNC(=O)CC#N;JRDKSZZVUXQLDD-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251291;MM251291;CC(=O)NNC(=O)CC#N;LDJVSZQZYWMLQH-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251292;MM251292;N#CCC(=O)NNC(=N)N;NCTHLFUVCKJSQI-UHFFFAOYSA-N;141.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251293;MM251293;N#CCC(=O)NNC(N)=O;OEJPTXJVORYOKY-UHFFFAOYSA-N;142.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251294;MM251294;CC(=N)NNC(=N)NC=N;QKDBJTBWNIDZDO-UHFFFAOYSA-N;142.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251295;MM251295;C=CNC(=N)NNC(C)=O;JZRQASGLGZFMBP-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251296;MM251296;C=CNC(=N)NNC(=N)N;FRUVAGPPRGKAQR-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251297;MM251297;C=CNC(=N)NNC(N)=O;KJVFKZQXSTWOIY-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251298;MM251298;N=CNC(=N)NNC(N)=O;BAPNUOHATPIXKZ-UHFFFAOYSA-N;144.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251299;MM251299;CC(=N)NNC(=O)NC=N;MHAPZKWNEZVCPL-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251300;MM251300;CCC(=O)NCCC(=O)O;CZMPYAFFIAMMKE-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251301;MM251301;C=CNC(=O)NNC(=N)N;HHNCUDSAVZYOPJ-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251302;MM251302;N=CNC(=O)NNC(=N)N;FKRFXGNRCSYJPT-UHFFFAOYSA-N;144.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251303;MM251303;N=C(N)NNC(=O)NC=O;BAMFEYTYUBDMQS-UHFFFAOYSA-N;145.12;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251304;MM251304;N=CNC(=O)NNC(N)=O;MGCZVXLUYZUWHL-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251305;MM251305;CC(=O)NC(C)CC(=O)O;GONZZHIQIZBCNK-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251306;MM251306;C=NNC(=N)NNC(C)=O;ZTXLVYQCLNSZGD-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251307;MM251307;C=NNC(=N)NNC(=N)N;UAUHEYMRBTZXLG-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251308;MM251308;C=NNC(=O)NNC(C)=N;CSYCBGOCNDPVFV-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251309;MM251309;C=NNC(=O)NNC(=N)N;ZIKCOWNKKMXPNJ-UHFFFAOYSA-N;144.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251310;MM251310;CC(=N)NNC(=N)OC=O;YKZILVVDLJQMMR-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251311;MM251311;C=NOC(=N)NNC(C)=N;NNQJNMLDMHZZAB-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251312;MM251312;NN=CC(=COC=O)CO;SXUVLRQJWNWFRR-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251313;MM251313;C=NOC(=N)NNC(=N)N;PRKZRLXYBQFGNJ-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251314;MM251314;C=NN(C(N)=O)C(C)C=O;YEZFAVYDSQGTDE-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251315;MM251315;C=NOC(=O)NNC(=N)N;WAVOSQYXKOVRGV-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251316;MM251316;NN=CC=C(CO)C(F)F;QEPDTYBSXABQKC-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251317;MM251317;NC(=O)ONC(=O)CC=O;QRNYAWXUQSRUGS-UHFFFAOYSA-N;146.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251318;MM251318;N#CCC(=O)NOC(N)=O;BZHBNTWVTPJPRK-UHFFFAOYSA-N;143.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251319;MM251319;C=CNC(=N)NOC(C)=O;ZTPNKKWXDOXPAN-UHFFFAOYSA-N;143.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251320;MM251320;N=CNC(=N)NOC(N)=O;PBRRMTJETWXLOU-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251321;MM251321;CC1C(O)C1CN(N)C=O;OPTBSTLUEKLWSF-UHFFFAOYSA-N;144.17;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251322;MM251322;C=NN(C)CC1C(C)C1O;RRJFEZGXWWULFL-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251323;MM251323;CC(=O)ONC(=O)NC=O;DHWMHRVMYPFNNG-UHFFFAOYSA-N;146.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251324;MM251324;Cc1cc(CO)c(N)n1N;LIAJJRDYAOEUSK-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251325;MM251325;NC(=O)ONC(=O)NC=O;XWVONWMGRUVXPL-UHFFFAOYSA-N;147.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251326;MM251326;N#CCCNC(C=O)CO;LDLWJVSTIAFXTF-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251327;MM251327;C=C(C)COC(=O)CC=O;IEOBYGJNTOUMDS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251328;MM251328;CC(=O)COC(=O)CC#N;AEQPPUFWPFURFL-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251329;MM251329;N#CCC(=O)OCC(=N)N;DUMNVYNJSXYMCB-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251330;MM251330;CCN(C=O)CCC(=O)O;WXPBFUCQGSIMLZ-UHFFFAOYSA-N;145.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251331;MM251331;O=Cc1cc(O)n(O)n1;BVPJUQNMFQBQAZ-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251332;MM251332;C=C(F)COC(=O)CC=O;ZXJNPWLABMFIGR-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251333;MM251333;C=C(F)COC(=O)CC#N;JELSJQRCQZJWKV-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251334;MM251334;C=C(C)COC(=C)NC=N;SJHLVJYOSVCNGC-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251335;MM251335;C=C(NC=N)OCC(=N)N;KVCLRGPOTXINCP-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251336;MM251336;C=C(NC=N)OCC(N)=O;YNTZAILCZZTWOT-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251337;MM251337;C=C(F)COC(=C)NC=N;MDJBFDWEJATVDS-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251338;MM251338;C=C(F)COC(=C)NC=O;RHLYIVASKVHLCD-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251339;MM251339;C=CNC(=N)OCC(=N)N;GBGMVBZSHPMUKX-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251340;MM251340;N=CNC(=N)OCC(=N)N;STTLENVPOKOLAU-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251341;MM251341;N=C(N)COC(=N)NC=O;JOGMIKXFELPVBU-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251342;MM251342;C=CNC(=N)OCC(N)=O;XXURXMVXRIRYFX-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251343;MM251343;N=C(NC=O)OCC(N)=O;NQXCIQVVEHTMQW-UHFFFAOYSA-N;145.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251344;MM251344;C=C(F)COC(=N)NC=O;NUUFPSQRMYXEBN-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251345;MM251345;C=CNC(=O)OCC(=C)C;MKQQICFEMKWVJS-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251346;MM251346;C=C(C)COC(=O)NC=N;XIFPZUJFYZZSRJ-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251347;MM251347;C=C(C)COC(=O)NC=O;TYRHUDBVDXABPQ-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251348;MM251348;NC(=O)COC(=O)NC=O;KTWPCKMAMCBGIO-UHFFFAOYSA-N;146.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251349;MM251349;C=Cc1nnn(CC)c1O;HEPGBSRVCACDNW-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251350;MM251350;C=CC=NNC(CO)CF;QTLSMIPRAPIMIN-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251351;MM251351;C=NNC(=N)OCC(=N)N;ZOZOOSNUYCMBJK-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251352;MM251352;C=NNC(=O)OCC(=N)N;QMFNHXIXSCKYHT-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251353;MM251353;C=COC(=O)OCC(N)=O;HNCYDEWGSNNRAT-UHFFFAOYSA-N;145.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251354;MM251354;C=COC(=O)OCC(=C)F;ZCONRLKPIIEQOZ-UHFFFAOYSA-N;146.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251355;MM251355;C=NOCC=C(C=O)CO;VUICOUIFVUMOPZ-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251356;MM251356;N#CCC(=O)ONC(=N)N;DXMDEOUNIZISHU-UHFFFAOYSA-N;142.12;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251357;MM251357;NC(=O)NOC(=O)CC=O;GEAOQEZJCSBGBX-UHFFFAOYSA-N;146.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251358;MM251358;CC(=N)NOC(=N)NC=N;KYHQNKHYNYXAMO-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251359;MM251359;C=CNC(=N)ONC(=N)N;JOYAPLMJVDBNPL-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251360;MM251360;N=CNC(=N)ONC(=N)N;OZOJXDNBCYHCPF-UHFFFAOYSA-N;144.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251361;MM251361;N=CNC(=O)ONC(=N)N;SQFXKTBZBVNWRV-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251362;MM251362;N=C(N)NOC(=O)NC=O;XKDQFVOLDOLEML-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251363;MM251363;NC(=O)NOC(=O)NC=O;IBDVHMOMNDZLFQ-UHFFFAOYSA-N;147.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251364;MM251364;C=NNC(=O)ONC(C)=O;BKAVZPMPQOWQOV-UHFFFAOYSA-N;145.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251365;MM251365;C=NOC(=O)ONC(=N)N;WQKRKDDUYPCOQJ-UHFFFAOYSA-N;146.11;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251366;MM251366;C#CCC(=C)CCC(=C)C;AJQNYLIXEKFMAP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251367;MM251367;C#CCC(=C)CCC(=O)O;LPULLJPHXNCOPC-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251368;MM251368;C#CCC(=C)CCC(=C)F;NSRYIRJWMSASTK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251369;MM251369;C#CCC(=O)CCC(=N)N;RNNKIDBZJMDQQE-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251370;MM251370;C#CCC(=O)CCC(=C)F;JXZZXUUYPIKJIT-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251371;MM251371;C#CCC(=C)CNC(C)=N;YJNFVLKTYSSHMQ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251372;MM251372;C#CCC(=C)CNC(C)=O;QXCZSIGLTXUWFW-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251373;MM251373;C#CCC(=C)CNC(N)=O;IORPEHSDSBYWBE-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251374;MM251374;C#CCC(=O)CNC(C)=N;YHQFMBORZVVXQH-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251375;MM251375;C#CCC(=O)CNC(=N)N;JCKISAQVZPAKAS-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251376;MM251376;C#CCC(=O)CNC(N)=O;FGKWLPAPWXKGCU-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251377;MM251377;C#CCC(=C)COC(C)=O;ILBCMMVSGLNBTC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251378;MM251378;C#CCC(=C)COC(=N)N;VPLFPKZCJFUZHP-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251379;MM251379;C#CCC(=C)COC(N)=O;KRSNCSPFGIUOOR-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251380;MM251380;C#CCC(=N)NCC(=N)N;AEMUDFNICUZFQT-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251381;MM251381;C#CCC(=O)NCC(N)=O;LSBLLQUPUUWSHV-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251382;MM251382;COc1nc(=O)c(N)n[nH]1;LZCDZWOQXNDMLL-UHFFFAOYSA-N;142.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251383;MM251383;C#CCC(=O)NCC(=C)F;HPBSVGWREWKJMN-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251384;MM251384;C#CCC(=N)NNC(=N)N;IVRHEFBIKZDZSU-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251385;MM251385;C#CCC(=O)NNC(C)=N;ZEEUSYCTIPPKJI-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251386;MM251386;C#CCC(=O)NNC(N)=O;SJUWDLVCICAABD-UHFFFAOYSA-N;141.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251387;MM251387;C#CCC(=O)NOC(N)=O;AMMDTBYROGUOEW-UHFFFAOYSA-N;142.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251388;MM251388;C#CCC(=C)OCC(=C)C;IJVFHMUBMJDSGD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251389;MM251389;C#CCC(=C)OCC(C)=O;YOQQMNAFUXGDNP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251390;MM251390;C#CCC(=C)OCC(=C)F;FVWFNWQKAKAMRA-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251391;MM251391;C#CCC(=O)OCC(=C)C;LVEALIHSCJRMPL-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251392;MM251392;C#CCC(=O)ONC(N)=O;BQNFJFZQYLSWNZ-UHFFFAOYSA-N;142.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251393;MM251393;CC=CC(C)CCC(C)C;LOYRBDHUWYPOAY-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251394;MM251394;CC(N)CCC(C)C=CF;ORJHSZKTEGGOSQ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251395;MM251395;C=NN1CC1C1(C)CC1O;CEEARCMCKIOIEO-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251396;MM251396;CC=CC(C)CCC(C)F;DBAYJSMGPPTWHH-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251397;MM251397;CC(C=CF)CCC(F)F;BGUMMIONFMMXBT-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251398;MM251398;CC=CC(N)CCC(C)C;WFRISEZDYTVPQQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251399;MM251399;CC=CC(N)CCC(C)N;KTHSEAKVIPFQCK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251400;MM251400;CC(N)CCC(N)C=CF;FWIMXIZEXOFEOB-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251401;MM251401;CC=CC(N)CCC(C)O;PWXYHYYZXZDWLA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251402;MM251402;CC=CC(N)CCC(C)F;LRKFPBWXMCLQMX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251403;MM251403;CC=CC(N)CCC(F)F;XZDDMCMYDNGQNX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251404;MM251404;NC(C=CF)CCC(F)F;DJDRVGKCHAZCQT-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251405;MM251405;CC(N)CCC(F)C=CF;JALVKTMOHAEDAI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251406;MM251406;CC=CC(F)CCC(C)O;VZTYJFARICLPAX-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251407;MM251407;FC=CC(F)CCC(F)F;SUMZZOVRAPHMPL-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251408;MM251408;CC(N)CCC(C)C=NO;CRCRYZVCTOMNMV-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251409;MM251409;CC(O)CCC(C)C=NO;BZTPIAUFTIMYQO-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251410;MM251410;CC(F)CCC(C)C=NN;SAUPLPASDIKPMM-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251411;MM251411;CC(F)CCC(C)C=NO;OIOPKJYFWLCGGW-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251412;MM251412;CC(C=NO)CCC(F)F;TVKMCDCZRCRPCR-UHFFFAOYSA-N;151.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251413;MM251413;CC(C)CCC(F)C=NN;SEMIXRGIQSZHEB-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251414;MM251414;CNn1ccc(CO)c1C;WSUHONNYYHTKQC-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251415;MM251415;C#CC(F)(C=NO)CO;RWTNAPRFJVXQAC-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251416;MM251416;CC=CC(C)CNC(C)C;RWYHALGLKSTKID-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251417;MM251417;CC(C=CF)CNC(C)C;VSLDAVWNWITWEV-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251418;MM251418;CC=CC(N)CNC(C)C;OFXSRUTWXMYPLB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251419;MM251419;CC=CC(O)CNC(C)C;MYEXDPRLBAMCBO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251420;MM251420;CC=CC(F)CNC(C)C;AMONCIWPZOEWNA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251421;MM251421;CC(C)NCC(F)C=CF;BQCAFGBADPQXEF-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251422;MM251422;CC(C=NO)CNC(C)C;KSPHUXWTEQVLLI-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251423;MM251423;CC=CC(N)COC(C)C;DRVGCIBWXIXYRT-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251424;MM251424;C=NNCC1C(O)C1CC;LVYGIGMXRPOIIR-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251425;MM251425;CC=CC(C)NCC(C)C;GKFIWUFVFUHJAZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251426;MM251426;CC=CC(C)NCC(C)N;KQYKBPPBYWABDJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251427;MM251427;CC=CC(C)NCC(C)O;SYGTXVIRFMUBNO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251428;MM251428;CC=CC(C)NCC(C)F;JMXZWNWQSBZRTR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251429;MM251429;CC(C)CNC(C)C=NN;DTGHRBCPVOXHLF-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251430;MM251430;CC(C)CNC(C)C=NO;ZUJICZIWPIPBEE-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251431;MM251431;CC(C=NO)NCC(F)F;KQEBWFPLEOUOEJ-UHFFFAOYSA-N;152.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251432;MM251432;CC=CC(C)OCC(C)N;KPQZGNYSNPNFMZ-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251433;MM251433;CC(N)COC(C)C=CF;KHXIGMYTZAWHRF-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251434;MM251434;CC=CC(C)OCC(C)O;BLAPWNDUDHVHNT-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251435;MM251435;CC=CC(C)CCN(C)C;AKGCSBRONBXNAN-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251436;MM251436;CC(C=CF)CCN(C)C;JXAJYARRWHHIPO-UHFFFAOYSA-N;145.22;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251437;MM251437;CC=CC(N)CCN(C)C;AMFMUKPKAWRLLN-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251438;MM251438;CC(C=NN)CCN(C)C;ZEGAPALJMQISRM-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251439;MM251439;CC(C=NO)CCN(C)C;UDSMILLVSHCMHH-UHFFFAOYSA-N;144.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251440;MM251440;CN(C)CCC(O)C=NN;SSXLEWIOJIHEHN-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251441;MM251441;N#CC(C=O)N=CN1CC1;WXVNBHGQTWQAFJ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251442;MM251442;CN=CN(C)CCC(C)F;HHCMJKPTZFDZLP-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251443;MM251443;CN(C=NN)CCC(F)F;PZFKIZCSEOCCNI-UHFFFAOYSA-N;151.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251444;MM251444;CN1CC(C)(CO)C=N1;SUVZUPGNIMUHMB-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251445;MM251445;CN=CN(N)CCC(C)O;OTPILACFFAQJLC-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251446;MM251446;CN=CN(C)NCC(C)C;NYBZKSBQLVDJQO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251447;MM251447;NC(=O)CON=CNO;ISTLGZPCMUFRBL-UHFFFAOYSA-N;133.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251448;MM251448;CC(O)CON(C)C=NO;QKMPOTWCUYUVCH-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251449;MM251449;CNC(=O)N(N)CCF;NWGIXFNXVWHXDN-UHFFFAOYSA-N;135.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251450;MM251450;CN=CN(C)CCN(C)C;ZAAXBBANMNEZET-UHFFFAOYSA-N;143.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251451;MM251451;CC=CC(C)CCC(=N)N;VQGOITBUGFUDAN-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251452;MM251452;C=NN(C)C(=O)NCC;CIFAXXXHVBGNRW-UHFFFAOYSA-N;129.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251453;MM251453;NN=C1CC2C(O)C2C1;DRPUTYBZCKXYHL-UHFFFAOYSA-N;126.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251454;MM251454;CC=CC(C)CCC(=O)O;XQPJBUNUYAKYNC-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251455;MM251455;CC(C=CF)CCC(=O)O;HZYGCGMCUFVWTC-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251456;MM251456;C=C(F)CCC(N)C=CF;RNGYRYZXOBUVNJ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251457;MM251457;CNC(=O)C(=N)N1CC1;GCQDZZAFNPSKQP-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251458;MM251458;CC=CC(O)CCC(C)=O;JECKUMVVRSCTFM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251459;MM251459;CC=CC(O)CCC(=N)N;QSSHLYHEKWXRJF-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251460;MM251460;N=C(N)CCC(O)C=CF;WCYHOGBGXUWULK-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251461;MM251461;Nc1nc(=O)nnc(=O)[nH]1;FITXDCIORRVCRC-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251462;MM251462;CC(=O)CCC(F)C=CF;XKADEGHFYWUTNV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251463;MM251463;N=C(N)CCC(F)C=CF;NNAIOMWELFWHCU-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251464;MM251464;CC=CC(F)CCC(=O)O;MZENKRDAIRCXQI-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251465;MM251465;C=C(F)CCC(F)C=CF;QIMMZLSMQSLJCS-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251466;MM251466;C=C(C)CCC(C)C=NN;QGGQDDOQEFGWRE-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251467;MM251467;CC(=O)CCC(C)C=NO;YACODJLEHDZDGV-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251468;MM251468;CN(C=O)NCC(C)(C)O;MECXLGDRKDNRMF-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251469;MM251469;CC(C=NO)CCC(N)=O;QDVXMNSVPAAHQJ-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251470;MM251470;CC=CC(C)CNC(C)=N;DGHCDRNYKIPFRY-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251471;MM251471;CC(=N)NCC(C)C=CF;AZDGGLZITSEXJP-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251472;MM251472;CNC(CO)C(C)(F)C#N;FMOVPMDKBVASCC-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251473;MM251473;CC(=O)NCC(C)C=CF;DMRQBBUUXXUMCG-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251474;MM251474;CC=CC(C)CNC(=N)N;MYBLLTKWSFHQRU-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251475;MM251475;CC=CC(C)CNC(N)=O;JIFFEHLOEAGROZ-UHFFFAOYSA-N;142.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251476;MM251476;CC=CC(N)CNC(C)=O;PCJRFKJWPYTRFU-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251477;MM251477;CC=CC(N)CNC(=N)N;JVOGXPCDQWDJQX-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251478;MM251478;CC=CC(O)CNC(N)=O;HCSFSNIXYLZEGC-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251479;MM251479;CC=CC(F)CNC(C)=O;GJGSRMDTQNJZDB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251480;MM251480;CC(=O)NCC(F)C=CF;ZCCSOLQFZDIXFK-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251481;MM251481;CC=CC(F)CNC(=N)N;HDEMSOJDBKLINN-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251482;MM251482;N=C(N)NCC(F)C=CF;APAQWYPEXKHTAJ-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251483;MM251483;CC=CC(F)CNC(N)=O;VKMORJRMVQCEGW-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251484;MM251484;C=NN(C)CC1(C)CC1O;LXQNKOYJXSONJX-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251485;MM251485;CC(=O)NCC(C)C=NO;XJKKUTFDJHBYOP-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251486;MM251486;CC(C=NO)CNC(=N)N;PIDNAPCUUYWCHJ-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251487;MM251487;CC=CC(C)COC(C)=O;NPKMTNDBFNDRSV-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251488;MM251488;CC=CC(C)COC(=N)N;XOIOEKYRRCWPAH-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251489;MM251489;CC(C=CF)COC(=N)N;IRVYEDUZSJGVJT-UHFFFAOYSA-N;146.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251490;MM251490;CC=CC(C)COC(N)=O;GKZCLXDBNCHEHR-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251491;MM251491;CC(C=CF)COC(N)=O;OMXQOXUVUKFSCC-UHFFFAOYSA-N;147.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251492;MM251492;C=C(C)OCC(N)C=CC;OVGVSURLVCYERZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251493;MM251493;C=C(C)OCC(N)C=CF;PDAJDUFVBOLNLN-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251494;MM251494;CC=CC(N)COC(C)=O;JYUOWGGFJRJDNZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251495;MM251495;CC(=O)OCC(N)C=CF;LNJWJVOZDOTCAM-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251496;MM251496;CC=CC(N)COC(N)=O;CBTVQQBRPRUVNB-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251497;MM251497;C=C(C)OCC(O)C=CC;GUZDLVMKNJNQHT-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251498;MM251498;CC=CC(O)COC(C)=O;WWLWQJHNBPNZCD-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251499;MM251499;CC=CC(O)COC(=N)N;CAJBIFJQIYYXPG-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251500;MM251500;CC=CC(O)COC(N)=O;IMZGFDSTPVTQHQ-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251501;MM251501;CC=CC(F)COC(C)=O;FFSRPJKMFAVHEF-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251502;MM251502;CC=CC(F)COC(=N)N;GGCMBNQMTHAKPK-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251503;MM251503;CC=CC(F)COC(N)=O;PRZLBRKHIVMSCP-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251504;MM251504;NC(=O)OCC(F)C=CF;VWWNAWHOYGZNDU-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251505;MM251505;CC(=O)OCC(C)C=NN;BVENICDRUDISRA-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251506;MM251506;CC(=O)OCC(C)C=NO;VEABSIPSTKIVEV-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251507;MM251507;CC(C=NN)COC(=N)N;ICVGCHKRYLZOOZ-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251508;MM251508;CC(C=NO)COC(=N)N;BLIRNCIKYGJONJ-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251509;MM251509;CC(C=NO)COC(N)=O;HEUJWWRBAHJHJE-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251510;MM251510;CC(CO)NN=CC(N)=O;JYVIRNJBBQEREZ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251511;MM251511;NC(=O)N(N)C=NCCF;KWTIPVFNKMVBDH-UHFFFAOYSA-N;148.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251512;MM251512;N=C(N)OCC(O)C=NN;UQGBHSWGJHVKKU-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251513;MM251513;Cc1noc(O)c1C;RQYJNMXWQXTXEC-UHFFFAOYSA-N;113.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251514;MM251514;C=C(C)CNC(C)C=CC;BBASDEHCXMQPHJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251515;MM251515;C=C(C)CNC(C)C=CF;GVKLBYBMIWCNQJ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251516;MM251516;C=C(F)CNC(C)C=NN;JKISQYGEDRPEGQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251517;MM251517;CC(=N)NNC(C)C=CF;XLKBZEJJUIDDAK-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251518;MM251518;C=C(C)COC(C)C=CC;QJMULHLMGCVXNP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251519;MM251519;CC=CC(C)OCC(C)=O;JYDVHNNXEMMHQT-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251520;MM251520;CC=CC(C)OCC(=N)N;JPJJPUXVABEROT-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251521;MM251521;CC=CC(C)OCC(N)=O;KNRNJISHICVVHG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251522;MM251522;CC(C=CF)OCC(N)=O;JBZFMPRTWPGDAA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251523;MM251523;CCNC(=O)N(N)C(C)=N;OFJZFZJKYKAKMB-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251524;MM251524;ON=c1cc(O)[nH]n1O;YTPAOSSGZNRCES-UHFFFAOYSA-N;131.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251525;MM251525;CC(=N)NOC(C)C=CF;MBJWIEKVXRIHOP-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251526;MM251526;CC=CC(C)ONC(C)=O;YOEJRXWIMGOXNS-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251527;MM251527;CC(=O)NOC(C)C=CF;CZWAPOOTUJOXPD-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251528;MM251528;CC=CC(C)ONC(=N)N;XCLPGEQCEZBXHQ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251529;MM251529;CC=CC(C)ONC(N)=O;CZMYWUZLINWBJD-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251530;MM251530;CN(C=CF)C(=N)C(N)=O;PMOVQWRQYLJGGB-UHFFFAOYSA-N;145.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251531;MM251531;N=C(N)CCN(N)C=NN;FNDWYOCLAYHLOX-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251532;MM251532;N=C(N)CCN(N)C=NO;OARKNPFHQQGLGI-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251533;MM251533;CC(=O)CCN(O)C=NO;XXSGXHUKWPLXAE-UHFFFAOYSA-N;146.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251534;MM251534;N=C(N)CCN(O)C=NN;DLDUXMZEJPFRIR-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251535;MM251535;N=C(N)CCN(O)C=NO;SZXLRKLRASQWQA-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251536;MM251536;NC(=O)CCN(O)C=NO;RIGBULMDRXOKQY-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251537;MM251537;Cc1n[nH]c(=NN)o1;XVSKYYASESQUOY-UHFFFAOYSA-N;114.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251538;MM251538;N=c1[nH]ncn(O)cno1;WYQMCMUNTSCUTI-UHFFFAOYSA-N;143.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251539;MM251539;CC=NNCC1(C)CC1O;GLTZLRSLFPTJRE-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251540;MM251540;C=C(F)CCN(C)N=CC;WLUOKTDSWXXRKL-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251541;MM251541;CN(C=NN)OCC(=N)N;VZIMPZFCFMXJBP-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251542;MM251542;CN(C=NO)OCC(=N)N;KOUIABISOLEUJN-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251543;MM251543;CN(N)C(=NC=O)C(N)=O;IVYMICYPNCOIDG-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251544;MM251544;CN(C=NO)OCC(N)=O;USUIEYGJIQEJIG-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251545;MM251545;Cc1c(N)n[nH]c1O;AOFZJKLTSJMFCO-UHFFFAOYSA-N;113.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251546;MM251546;Cc1n[nH]n(C)c(=N)c1=O;NJFBIRRPBUXVME-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251547;MM251547;C=C(C=CC)CCC(C)C;VOUSIZMHNYAHQJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251548;MM251548;C=C(C=CC)CCC(C)N;JXPNXNZRNFMGGO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251549;MM251549;CCN1CC(C)(CO)C=N1;WGMJNFHNGMMFIY-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251550;MM251550;C=C(C=CF)CCC(C)F;VPQQNISROUBVPT-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251551;MM251551;C=C(C=CC)CCC(F)F;DRBJMNACQHROGO-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251552;MM251552;CC=CC(=O)CCC(C)C;IEGBZPASYYMRIS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251553;MM251553;CC(C)CCC(=O)C=CN;UBDZQCLMBSWPIO-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251554;MM251554;CC(C)CCC(=O)C=CF;PUCSDJIXHBGYPB-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251555;MM251555;CC(O)CCC(=O)C=CN;XMOUTQXBDDKLND-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251556;MM251556;CC=CC(=O)CCC(C)F;UOFYXHNYAZXSCX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251557;MM251557;CC(F)CCC(=O)C=CN;UIXHCBQNUSSDPM-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251558;MM251558;CC=CC(=O)CCC(F)F;SUGHNVIENYEPDA-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251559;MM251559;O=C(C=CF)CCC(F)F;ARILEGQMNYMOIY-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251560;MM251560;CC(C)CCC(=O)C=NO;LNXPSTXQQGRAAJ-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251561;MM251561;C=C(C=CC)CNC(C)C;RPIXJBFSHIJEGP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251562;MM251562;C=C(C=CF)CNC(C)C;DSUDRGNKVPOVFL-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251563;MM251563;CC=CC(=O)CNC(C)C;BTQQDOXJCPBSRW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251564;MM251564;CC(C)NCC(=O)C=CN;RAVIZAJOWYIDDM-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251565;MM251565;CC(C)NCC(=O)C=CF;JGHWWLDMCFSWCS-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251566;MM251566;CC=CC(=O)COC(C)C;UVQPWHZWAWMXPS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251567;MM251567;CC=CC(=N)NCC(C)C;PXVSCURMOQCJLH-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251568;MM251568;CC(N)CNC(=N)C=CN;ZQEXLXLQEVVHLT-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251569;MM251569;CC(N)CNC(=N)C=CF;KMUJKEGKNHFINY-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251570;MM251570;CC(O)CNC(=N)C=CF;AOSVDEMZHMHXTA-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251571;MM251571;CC1(CO)C=NN(C=N)C1;RINLDMYOYHAVND-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251572;MM251572;CC1(CO)C=NN(C=O)C1;JAZUSLWUHZMSIN-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251573;MM251573;CC(C)NNC(=O)C=NO;SJHKTMOGWHHCIO-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251574;MM251574;CC(C)ONC(=N)C=CN;OEWZINHZRIPLNB-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251575;MM251575;C=C(C=CF)OCC(C)N;PVPHUJCTVIUHTP-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251576;MM251576;CC(C)COC(=O)C=CF;UYFODXVCFXCMAB-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251577;MM251577;CC(F)COC(=O)C=CN;QDEPBLIGHHWRHO-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251578;MM251578;NC=CC(=O)OCC(F)F;RZZJKMKWLBFYQD-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251579;MM251579;O=C(C=CF)OCC(F)F;ODROACPNBVIEAY-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251580;MM251580;C=C(C=CC)CCN(C)C;BXTUAYLJBHURAZ-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251581;MM251581;C=C(C=CF)CCN(C)C;KOXWLDSJSCCOCU-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251582;MM251582;CC=CC(=O)CCN(C)C;DEDVFSUHXGKSQU-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251583;MM251583;C=C(C=CC)CCC(=N)N;KSYGMFQFUIHKEH-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251584;MM251584;C=C(C=CF)CCC(=N)N;KCOYDHNEYRUFLH-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251585;MM251585;CNC(=O)N(N)C(C)=NN;AGQXKDABQOUIIR-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251586;MM251586;CNN(C)C(=O)NCCO;AEVWHJAVZXHXBR-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251587;MM251587;C=C(C=CC)CCC(=O)O;YLSJQNNEIUUGMU-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251588;MM251588;C=C(C)CCC(=O)C=CC;HRZJJIPUCRXNRB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251589;MM251589;C=C(C)CCC(=O)C=CN;LDUNMZIHAPIBIL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251590;MM251590;C=C(C)CCC(=O)C=CF;KCBCQXIFIFMNPW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251591;MM251591;CC(=O)CCC(=O)C=CF;YDTFMSDIFLNVCN-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251592;MM251592;N=C(N)CCC(=O)C=CN;OZJYTKORKLKYAA-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251593;MM251593;N=C(N)CCC(=O)C=CF;WSGOMMBPWNCZNH-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251594;MM251594;CC=CC(=O)CCC(N)=O;BTHOYHZLMBCGQS-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251595;MM251595;CC(C)(C=O)CC(=O)O;OIUKJBJURCIFTN-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251596;MM251596;CC(C=CC(=O)O)CC=O;QGXPDKQBGCDXOA-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251597;MM251597;C=C(F)CCC(=O)C=CC;WVIFKORPOYUXNT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251598;MM251598;C=C(F)CCC(=O)C=CN;MHMQGVLXUOMPIY-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251599;MM251599;C=C(F)CCC(=O)C=CF;WKDVWCQJKAINNE-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251600;MM251600;C=C(C=NO)CCC(C)=O;OZPXCEDUMGIYDR-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251601;MM251601;C=C(C=NO)CCC(N)=O;UGDRWFCAHLTNMY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251602;MM251602;C=C(F)CCC(=C)C=NN;KMBSTKGORMWOPM-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251603;MM251603;C=C(C)CCC(=O)C=NO;KYQVIQAZAYUDSC-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251604;MM251604;C=COC=CCC(=O)O;VNBUSENZFZERRV-UHFFFAOYSA-N;128.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251605;MM251605;C=C(C=CC)CNC(C)=N;KOBPXPMAGYGPCQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251606;MM251606;C=C(C=CF)CNC(C)=N;VBCNTSMYRAJVMB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251607;MM251607;CNC(=O)N(C=NN)NC;SMJCFQKPJQOBMZ-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251608;MM251608;C=C(C=CC)CNC(=N)N;JCNJIXDINRVBOE-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251609;MM251609;C=C(C=CC)CNC(N)=O;KTBWVALGALAKRM-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251610;MM251610;CC=CC(=O)CN=C(C)N;NWRRNBLFDOXTFL-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251611;MM251611;CC=CC(=O)CNC(=N)N;QFRDNKAWKHDUEI-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251612;MM251612;CC=CC(=O)CNC(N)=O;IHTLHZZWEHWBHO-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251613;MM251613;C=C(C=NN)CNC(=N)N;LHXUKPUVBKKJIJ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251614;MM251614;C=C(C=NO)CNC(=N)N;WPIWBVVIRPCHLL-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251615;MM251615;C=C(C=CC)COC(=C)C;WSBKSQRWKSYXOG-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251616;MM251616;C=C(C=CC)COC(C)=O;QKJVRSDMSOZFTM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251617;MM251617;C=C(C=CC)COC(=N)N;GEQWGFKBUJPEQC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251618;MM251618;C=C(C=CC)COC(N)=O;GXJBOPZKHKRELT-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251619;MM251619;C=C(C)OCC(=O)C=CC;QGBBIHYOMBOXOT-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251620;MM251620;CC=CC(=O)COC(C)=O;QMXLDIIZSBKHJJ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251621;MM251621;CC=CC(=O)COC(=N)N;BOJNTTIZMMKYIU-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251622;MM251622;N=C(N)OCC(=O)C=CF;AKRRESKWUONIHB-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251623;MM251623;C=C(C=NN)COC(=C)C;HPFKDGWDULUFMY-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251624;MM251624;C=C(C=NO)COC(=C)C;OSPPLLNTHBSKJX-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251625;MM251625;C=C(C)CNC(=N)C=CC;CFGROQXVWUUIFD-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251626;MM251626;CC=CC(=N)NCC(C)=O;WMOMRORZYQOBAI-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251627;MM251627;N=C(N)CNC(=N)C=CN;HHFKWHONZNHDJL-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251628;MM251628;CC=CC(=N)NCC(N)=O;VLBJUHXFUOETBZ-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251629;MM251629;N=C(C=CN)NCC(N)=O;BHGSFKYMIZAROM-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251630;MM251630;C=C(F)CNC(=N)C=CC;PXUPETXQIPTSLT-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251631;MM251631;C=C(F)CNC(=N)C=CN;FYGBXCVMJYQANZ-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251632;MM251632;CC(CC=CC=O)C(=O)O;BROKXUAOGGIKGE-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251633;MM251633;C=NN(C(=N)CC)C(N)=O;MHFKGBBIGFYRAB-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251634;MM251634;N=C(N)CNC(=N)C=NN;ATLJQUJAHVQCGP-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251635;MM251635;N=C(N)CNC(=O)C=NN;NMRGKLZZJGTDGE-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251636;MM251636;N=C(N)CNC(=O)C=NO;VFRMHLZYRODNRQ-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251637;MM251637;NC(=O)CNC(=O)C=NO;IRNZNUVPBACTAG-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251638;MM251638;C=C(F)CNC(=O)C=NN;QOTHWEPGVDCSJH-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251639;MM251639;C=C(F)CNC(=O)C=NO;DSPCMGBKOVRKNK-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251640;MM251640;CC=CC(=N)NNC(C)=N;ZEVPDKJFRBLUMS-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251641;MM251641;CC=CC(=N)NNC(C)=O;APRGTIJIJSTCAZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251642;MM251642;N=C(N)NNC(=N)C=CN;XUSYJDILKWOSPD-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251643;MM251643;CC=CC(=N)NNC(N)=O;AIRIPUDLWHJVJV-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251644;MM251644;CC(=O)NNC(=O)C=CN;PZOHTRNTJBJYEL-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251645;MM251645;CC=CC(=O)NNC(=N)N;JIPXPXDYUNMSIX-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251646;MM251646;N=C(N)NNC(=O)C=CN;NHXFEZIVIVXARC-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251647;MM251647;NC=CC(=O)NNC(N)=O;AQDGDSIZFVTMPF-UHFFFAOYSA-N;144.13;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251648;MM251648;CC(=O)NN=C(N)C=NN;ZSQJUDMUTDESAW-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251649;MM251649;CC(=O)NN=C(N)C=NO;SXKDUILIVYFEQW-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251650;MM251650;C=NN(C(N)=O)C(C)=NC;UYYSRLGQWSRRAA-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251651;MM251651;NC(=O)NNC(=O)C=NO;LCZWFJAPUUVVFS-UHFFFAOYSA-N;146.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251652;MM251652;C=C(F)C(CO)NCC#N;NZLVZXGPKDUXLK-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251653;MM251653;CC=CC(=O)NOC(N)=O;FPSUPGJYDGVVDZ-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251654;MM251654;NC(=O)ONC(=O)C=CF;RVUJQMQZMGVAKE-UHFFFAOYSA-N;148.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251655;MM251655;CCN(NCC#N)C(N)=O;ASJGRCTYKJKSSO-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251656;MM251656;CC(=O)ON=C(N)C=NO;BEGLRLVYLUOAOZ-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251657;MM251657;NN=CC(=O)NOC(N)=O;TZXMYSWLYZKXQD-UHFFFAOYSA-N;146.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251658;MM251658;C=C(C=CF)OCC(C)=O;JVOYPZXBCBMJHF-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251659;MM251659;N=C(N)COC(=O)C=CF;HSLGXSVQFYOXNM-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251660;MM251660;C=NNCC=C(C=O)CO;JCNGJGSQBXHJLT-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251661;MM251661;C=C(C=NO)OCC(N)=O;NCRNODBIESKVAJ-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251662;MM251662;O=C(CO)NOCC=CF;ZGAFBXJYOVMJSQ-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251663;MM251663;C=CC1(CC(=O)O)CC1O;CPTGZVGGFVVFGJ-UHFFFAOYSA-N;142.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251664;MM251664;O=c1[nH]oc(=NCCF)[nH]1;FZHUMMBTXRBRBV-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251665;MM251665;N=C(N)NOC(=O)C=CF;CVHNZDBXBVXIES-UHFFFAOYSA-N;147.11;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251666;MM251666;NC(=O)NOC(=O)C=CF;PERICJCIMNHXPM-UHFFFAOYSA-N;148.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251667;MM251667;NN=CC(=O)ONC(N)=O;YSEJMLUUNVPIPX-UHFFFAOYSA-N;146.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251668;MM251668;CC#CC(C)CCC(C)N;OBEHLGNHFHCTIA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251669;MM251669;C=CC1(CO)CC1ON=C;UZYYIQWHERCUHA-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251670;MM251670;CC#CC(N)CCC(C)C;VZLKXVIVWPPOST-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251671;MM251671;CC#CC(N)CCC(C)N;XFWLICIWIFSCLH-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251672;MM251672;CC#CC(N)CCC(C)O;VAGLZDNDSUBUAB-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251673;MM251673;CC#CC(N)CCC(C)F;GJUNQKCUGAPHEB-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251674;MM251674;CC#CC(O)CCC(C)N;NXDUMPVKIODRMP-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251675;MM251675;CC#CC(O)CCC(C)O;WQIIBFKRUIIDHM-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251676;MM251676;CC#CC(F)CCC(C)C;ZXZFPHONRMZFKQ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251677;MM251677;CC#CC(F)CCC(C)O;MFYFMGVZDXQGHA-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251678;MM251678;CC#CC(F)CCC(F)F;ZRHLHNAIGPTYMN-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251679;MM251679;CC#CC(C)CNC(C)C;JSWSQPFWNIOYPZ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251680;MM251680;CC#CC(F)CNC(C)C;FXKMECBNXAJQSA-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251681;MM251681;CC#CC(C)NCC(C)C;WGRMQSZUJAVROH-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251682;MM251682;CC#CC(C)NCC(C)N;QQKOQDRNIUKYFF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251683;MM251683;CC#CC(C)NCC(F)F;QHBBGALIOFPFPX-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251684;MM251684;CC#CC(N)CCN(C)C;BUAUIRXVXFWXNZ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251685;MM251685;CC#CC(O)CCN(C)C;SJYKOWGZWJGLCQ-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251686;MM251686;CC#CC(F)CCN(C)C;KTNHSFCLFQOITD-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251687;MM251687;C=C(C)CCC(C)C#CC;JSQJRGDOLPCQNC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251688;MM251688;CC#CC(C)CCC(C)=O;AGHFUULLXZUARG-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251689;MM251689;CC#CC(C)CCC(=N)N;IUEUMFQYZABCTL-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251690;MM251690;CC1NC1C=C(C=O)CO;HHXHVYAKANAQNX-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251691;MM251691;CC#CC(C)CCC(=O)O;RYYSZYJJFKOQPX-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251692;MM251692;C=C(F)CCC(C)C#CC;XORNELUWRSZXBY-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251693;MM251693;C=C(C)CCC(N)C#CC;SYFZBMWBVFIDGD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251694;MM251694;CC#CC(N)CCC(=N)N;LNECQBNRHCKANN-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251695;MM251695;CC#CC(N)CCC(N)=O;JHHAMNWXDSDQIH-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251696;MM251696;C=C(F)CCC(N)C#CC;AUZKHSJWXCRALW-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251697;MM251697;C=C(C)CCC(O)C#CC;YDARCBBIBMIFLY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251698;MM251698;CC#CC(O)CCC(C)=O;HNIGUCYOSXEDEK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251699;MM251699;CC#CC(O)CCC(N)=O;MVKFCRJKHOYNDY-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251700;MM251700;C=C(F)CCC(O)C#CC;PKEWKAKQUXVUPK-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251701;MM251701;CC#CC(F)CCC(=N)N;WQXRDSDTMOWEAP-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251702;MM251702;CC#CC(F)CCC(N)=O;DUOTXSBKLSWTTH-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251703;MM251703;C=C(F)CCC(F)C#CC;SACSPGQHGOFYBS-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251704;MM251704;CC#CC(C)CNC(C)=O;PVPLJSGQMDUHMQ-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251705;MM251705;CC#CC(C)CNC(N)=O;SBSDEXARPBFPQW-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251706;MM251706;CC#CC(N)CNC(C)=N;UXOMGXYMWMJCEU-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251707;MM251707;CC#CC(N)CNC(=N)N;LPZCNGJDABEFSQ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251708;MM251708;CC#CC(O)CNC(C)=O;XMQVOGYYZCCJGG-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251709;MM251709;CC#CC(O)CNC(=N)N;VGWGMTZJOPHYOO-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251710;MM251710;CC#CC(O)CNC(N)=O;IIBYFWCELJRWOW-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251711;MM251711;C=C(C)OCC(C)C#CC;OPBNRXDXOIEJEA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251712;MM251712;CC#CC(C)COC(C)=O;BSPWYNFRLCCXSL-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251713;MM251713;CC#CC(C)COC(=N)N;PBRSEVJQJCRMDJ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251714;MM251714;CC#CC(C)COC(N)=O;CSYWWFMSMYIRRI-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251715;MM251715;CC#CC(N)COC(=N)N;APEJGLGIJKDORP-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251716;MM251716;CC#CC(O)COC(C)=O;BWNBKWQZGMCDRW-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251717;MM251717;CC#CC(O)COC(=N)N;AUFHUUXLRHVGBR-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251718;MM251718;CC#CC(O)COC(N)=O;RGMAVKTZQDBVOK-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251719;MM251719;CC#CC(C)NCC(=N)N;MTTOCMCYAVFASL-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251720;MM251720;CC#CC(C)OCC(=N)N;BFSAEAUFVXKVLP-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251721;MM251721;CC#CC(C)OCC(N)=O;QQCNENATJBARIL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251722;MM251722;C=C(C#CC)CCC(C)C;HHIIUBBHISJYLK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251723;MM251723;C=C(C#CC)CCC(C)N;VZJBUGDGUCYMMG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251724;MM251724;CN1CC1C=C(C=O)CO;KWRZYWNUXPHJPP-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251725;MM251725;C=C(C#CC)CCC(C)F;NQPPFRPUKMKNMG-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251726;MM251726;C=C(C#CC)CCC(F)F;ILLTYAOXAZVEPW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251727;MM251727;CC#CC(=O)CCC(C)C;RZAULLFMCFLYOV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251728;MM251728;CC#CC(=O)CCC(C)O;XQDJDUWVZNMMPV-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251729;MM251729;CC#CC(=O)CCC(C)F;OXZWSXSSPDFNAO-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251730;MM251730;CC#CC(=O)CCC(F)F;BMTAHWIDFSLZHS-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251731;MM251731;C=C(C#CC)CNC(C)C;ZOMCHYHMMMMOOK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251732;MM251732;CC#CC(=N)NCC(C)F;IPTZFEFGXITQOQ-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251733;MM251733;CC#CC(=O)NCC(F)F;BWNMMHBQSXLHNO-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251734;MM251734;CC#CC(=O)OCC(C)N;UQCJIASTNYUWOR-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251735;MM251735;CC#CC(=O)OCC(C)O;CJPXDIARLIPEFQ-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251736;MM251736;C=C(C#CC)CCN(C)C;BCONCJNWNWWLDN-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251737;MM251737;C=C(C)CCC(=C)C#CC;NLTXLFYIKNYAAL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251738;MM251738;C=C(C#CC)CCC(C)=O;DIHBYWLAGWPEKA-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251739;MM251739;C=C(C#CC)CCC(=N)N;HPUAWULIMHIDNF-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251740;MM251740;O=CC(=CCN1CC1)CO;KYBVGAODKMRJOY-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251741;MM251741;C=C(C#CC)CCC(=O)O;MFWCAYLQNHZEIT-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251742;MM251742;C=C(F)CCC(=C)C#CC;DBVHYTAUSJZCMG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251743;MM251743;C=C(C)CCC(=O)C#CC;ZZKNCMDROIOFRF-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251744;MM251744;C=C(F)CCC(=O)C#CC;VEWIUCVKHUUOFG-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251745;MM251745;C=C(C#CC)CNC(C)=N;QBZTYZRUIQHYEM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251746;MM251746;C=C(C#CC)CNC(C)=O;QXQGBZFYUSPBJJ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251747;MM251747;C=C(C#CC)CNC(=N)N;YYKQVGZZBUPRQZ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251748;MM251748;C=C(C#CC)COC(=C)C;WDEWSKXRGOZDKI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251749;MM251749;C=C(C#CC)COC(C)=O;JMHJEGXEIYZIGS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251750;MM251750;C=C(C#CC)COC(=N)N;UNWFSWFEXXBQAF-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251751;MM251751;C=C(C#CC)COC(N)=O;QAPFLTOUECLJRG-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251752;MM251752;CC#CC(=O)COC(N)=O;JOIOYDQKNRSBSA-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251753;MM251753;CC#CC(=N)NCC(N)=O;YVKYXSAQROPVFL-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251754;MM251754;C=C(F)CNC(=N)C#CC;NJEXXEIBCXQQCZ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251755;MM251755;CC#CC(=O)NCC(=N)N;WSMZHVLXLHZHDZ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251756;MM251756;CC#CC(=O)NCC(N)=O;HNEADURBPRSMBS-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251757;MM251757;C=C(F)CNC(=O)C#CC;LNCNGJLPGUXCSU-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251758;MM251758;CC#CC(=N)NNC(C)=N;ZIHDVASRXHFKTB-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251759;MM251759;CC#CC(=N)NNC(=N)N;KNFSTSJSIAFECA-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251760;MM251760;CC#CC(=O)NOC(C)=O;IHOZKHDIFDMEEU-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251761;MM251761;CC#CC(=O)NOC(N)=O;ZFULFNZRNCBWJX-UHFFFAOYSA-N;142.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251762;MM251762;C=C(C#CC)OCC(=N)N;GVHWNLBQONVCGY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251763;MM251763;C=C(C#CC)OCC(N)=O;MVJBHVWPJFYRPQ-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251764;MM251764;C=C(F)COC(=C)C#CC;CEFNQBMKCOIUQO-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251765;MM251765;CC#CC(=O)OCC(=N)N;RKWSMYJEKDRKKW-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251766;MM251766;CC#CC(=O)OCC(N)=O;BJFZRDJVOWPXDY-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251767;MM251767;C#CC1OC1C(C=O)=NO;OLENEQDAQBTGNX-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251768;MM251768;C=Cc1cn[nH]c1;UMRPGBHVNGOFMG-UHFFFAOYSA-N;94.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251769;MM251769;CCC=C(C)CCC(C)C;UPMBIGRVJGZCHZ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251770;MM251770;CC(=CCN)CCC(C)N;SJJFJROWQFWGKT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251771;MM251771;CC(=CCF)CCC(C)N;MTPJVZQMRHAUJV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251772;MM251772;Cc1cc(N)cn1O;NJOQMNYUJGYNRZ-UHFFFAOYSA-N;112.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251773;MM251773;CC(=CCN)CCC(C)F;GTSWAKLHBIWZAR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251774;MM251774;CC(N)CCC(F)=CCF;NNITUAKBJALOCD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251775;MM251775;CC(O)CCC(F)=CCO;FIMWHFWNMLAKAW-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251776;MM251776;CC(O)CCC(F)=CCF;CTQRTKYMOGMOPW-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251777;MM251777;CCC=C(F)CCC(F)F;CPCXDFNLYJGYGZ-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251778;MM251778;OCC=C(F)CCC(F)F;JXVCEJXTVPDOER-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251779;MM251779;CON=C(C)CCC(C)N;GWWHIHMMUMUOMI-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251780;MM251780;CCC=C(C)CNC(C)C;REOAKKFERAMOHP-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251781;MM251781;CC(=CCF)CNC(C)C;QWKIGFUSHRXUGY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251782;MM251782;CON=C(C)CNC(C)C;KUXCPUYPDKUFRS-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251783;MM251783;CC(C)OCC(F)=CCN;IKEXOLXMGPJFGF-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251784;MM251784;CCN=C(C)NCC(C)N;BFTIQFJYYJRGLL-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251785;MM251785;CCN=C(C)NNC(C)C;FLMFHDJCALQOHQ-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251786;MM251786;CC(=CCN)OCC(C)C;BNIXZSPSDGCLCV-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251787;MM251787;CC(=CCN)OCC(F)F;FHQVVXDPOHXKHM-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251788;MM251788;COC=C(C)OCC(C)N;DMYIPSGNFNBLEN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251789;MM251789;COC=C(C)OCC(C)O;NYIALSYJKYLLFP-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251790;MM251790;CNN=C(C)OCC(C)N;NIZMWAJDBLTJKF-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251791;MM251791;CC1(CO)C=NNC1;YPKIYSSKIJOMIW-UHFFFAOYSA-N;114.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251792;MM251792;C=NN1C(C)C1CO;PDLJFNSCLGLPEL-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251793;MM251793;CON=C(C)OCC(C)F;WDULMSJXMQLSDK-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251794;MM251794;CCC=C(C)CCN(C)C;VXWCYNMOVWSCML-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251795;MM251795;CC(=CCO)CCN(C)C;HRMZWYJNNKBIAS-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251796;MM251796;CCC=C(F)CCN(C)C;XBQWZQUWJBNRRH-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251797;MM251797;CN(C)CCC(F)=CCN;QGZOIKIAIJSMAI-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251798;MM251798;CON=C(C)CCN(C)C;SJYLFESDGZYTQV-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251799;MM251799;C=CC=C(C)CCC(C)C;CSRBNYVRIHYFIZ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251800;MM251800;CC(=CC=O)CCC(C)C;VBOPCVXGVAPZFF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251801;MM251801;CC(=CC#N)CCC(C)C;BCUSWIAEJDAZAX-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251802;MM251802;C=CC(C)(C=NN)CO;PLCDCWPIPWYUJQ-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251803;MM251803;CC(O)CNN=CNO;ZKNZBCVMSNFQQC-UHFFFAOYSA-N;133.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251804;MM251804;CC(=CC#N)CCC(C)F;HMEWPUSAWLMWKW-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251805;MM251805;C=CC=C(C)CCC(F)F;CGYZHDVPOAUFCA-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251806;MM251806;CC(C)CCC(N)=CC#N;SCARPEJEFGGLKL-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251807;MM251807;CC(C)CCC(F)=CC#N;JQFRDWHJFJQTGZ-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251808;MM251808;C=NN=C(C)CCC(C)N;OXENTCVHPQVHPG-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251809;MM251809;CNC(=O)N(N)C(C)=N;CUOVSWVTDFQASN-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251810;MM251810;C=NN=C(C)CCC(F)F;BDPQJLFQXGUFKJ-UHFFFAOYSA-N;148.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251811;MM251811;CC(=CC=O)CNC(C)C;FSNVFVYUGAUFII-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251812;MM251812;CC(C)NCC(N)=CC=O;LBMDNJOHFQRGNB-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251813;MM251813;C=CC=C(C)COC(C)C;VAESHPIAIIAZOG-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251814;MM251814;CC(=CC=O)NCC(C)C;QVXHXSGUBPHLOL-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251815;MM251815;CC(=CC#N)NCC(C)C;LURFVFFVBMSVGI-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251816;MM251816;CC(F)CNC(N)=CC#N;JVZOPIBRZYSRBH-UHFFFAOYSA-N;143.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251817;MM251817;N#CC=C(N)NCC(F)F;XKCODKHEHODKRY-UHFFFAOYSA-N;147.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251818;MM251818;CC(=NCC(C)C)NC=N;VEVQNQBIHZLPGZ-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251819;MM251819;C=CC(=O)N(N)C(N)=O;PNFQFAXMYSYFOM-UHFFFAOYSA-N;129.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251820;MM251820;CC(=NCC(C)N)NC=N;MMGPZEHZGLCBQT-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251821;MM251821;CC(=NCC(C)O)NC=N;HELQVXVRGWPUMQ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251822;MM251822;CC(=NCC(C)F)NC=N;AABHOVWENQPRBP-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251823;MM251823;CC(=NCC(F)F)NC=N;MYOYSBDUXLJZHM-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251824;MM251824;CC1(CN2CC2)CC1O;REJDACCGVLGVKJ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251825;MM251825;Cn1ccc(CO)c1N;MGFKGQZBMRHTNS-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251826;MM251826;C=CC=C(C)OCC(C)C;BNSNHCJHLPOLHX-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251827;MM251827;CC(=CC#N)OCC(C)C;ONQMOSKRFFGOEX-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251828;MM251828;C=CC=C(C)OCC(C)N;YBJROMFFUKDQQW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251829;MM251829;C=CC=C(C)OCC(F)F;QWFHJLDRAXKUOB-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251830;MM251830;CC(C)COC(N)=CC#N;UHGXJPOWDAXCKH-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251831;MM251831;CC(F)COC(N)=CC#N;YDWXXNYBRKEZBU-UHFFFAOYSA-N;144.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251832;MM251832;N#CC=C(N)OCC(F)F;ZVUKCNCLNMREAX-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251833;MM251833;C=NN=C(C)OCC(C)N;DBEZJKGVEYJCFU-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251834;MM251834;C=NN=C(C)OCC(F)F;NVRSCCYRDKGSQY-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251835;MM251835;CC(=CC#N)CCN(C)C;XHNNWWHRRQSLEM-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251836;MM251836;CN(C)CCC(N)=CC#N;VDVWTJQZRNZXLV-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251837;MM251837;CN(C)CCC(F)=CC#N;CVDRDTLOXJUKJJ-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251838;MM251838;C=NN=C(C)CCN(C)C;MFZUIMWRBBNKSN-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251839;MM251839;C#CC=C(C)CCC(C)C;RNOKFLIIJLSSEC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251840;MM251840;C#CC=C(C)CCC(C)N;BACFVPNZAREALX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251841;MM251841;CC1=C(CO)C=NC1=O;PQJLWKJCUPUHHW-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251842;MM251842;C#CC=C(C)CCC(F)F;YAHRZXYYNXSZJW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251843;MM251843;C#CC=C(F)CCC(C)C;JNURLVIBEXNVLX-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251844;MM251844;C#CC=C(C)CNC(C)C;RQBHVTBYEWILAQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251845;MM251845;C#CC=C(C)COC(C)C;FMIOJAOEJVLYTF-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251846;MM251846;C#CC=C(C)OCC(C)C;WELUHIZUJZFXBM-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251847;MM251847;C#CC=C(C)OCC(C)N;OVTDWSCUSXOXLO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251848;MM251848;C#CC=C(C)OCC(F)F;FKWNINFLSXQDSO-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251849;MM251849;C#CC=C(C)CCN(C)C;SEDLHFUWDDAVOJ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251850;MM251850;C#CC=C(F)CCN(C)C;LFQFBENZTYYZES-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251851;MM251851;C=C(C)CCC(C)=CCC;OAGSADMNHUMFBW-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251852;MM251852;CC(=CCN)CCC(=N)N;VYOUZUOPAWKXQW-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251853;MM251853;CC(=CCF)CCC(=N)N;AANMLSUSPQUHRD-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251854;MM251854;C=NNCC(=CF)CO;FIUAWXHIJCTLMQ-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251855;MM251855;CCC=C(C)CCC(=O)O;PIJSFSIVVOHAHC-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251856;MM251856;CCC=C(F)CCC(C)=O;KGDWTFQVLQBDHR-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251857;MM251857;CCC=C(F)CCC(=N)N;GOOKBVNPGJLRDV-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251858;MM251858;N=C(N)CCC(F)=CCN;HMUZRVAWSVZBLD-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251859;MM251859;CCC=C(F)CCC(N)=O;JUPHQNUYUHQGRV-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251860;MM251860;NC(=O)CCC(F)=CCO;TUQRJIIZMGAQLW-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251861;MM251861;CCC=C(F)CCC(=O)O;FOWUYVOPNLKJLN-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251862;MM251862;COC=C(F)CCC(C)=O;JGQHGNKFHPJQMD-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251863;MM251863;C=C(C)CCC(C)=NNC;QZHDCMGWGHQSHY-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251864;MM251864;OCC(=CF)CN1CC1;CCORBZFXMINUMY-UHFFFAOYSA-N;131.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251865;MM251865;CC(C)(CC(=O)O)NC=O;RDLOAWNWBQBFOE-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251866;MM251866;C=C(F)CCC(C)=NNC;VHIAIXZFXAIRNV-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251867;MM251867;C=C(C)CCC(C)=NOC;MPPRDNQHKWPVRV-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251868;MM251868;CC(C=NN)=CC(C)(C)O;FFYNXOVHACVDFY-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251869;MM251869;C=C(F)CCC(C)=NOC;PVJVEECGTHCJLT-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251870;MM251870;CC(=N)NCC(C)=CCN;PEUOUDWJXKECPQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251871;MM251871;CC(=N)NCC(C)=CCO;FEKAZMLQJHNWMF-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251872;MM251872;CC(=N)NCC(C)=CCF;RRKFDEPJHZRAJY-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251873;MM251873;CCC=C(C)CNC(=N)N;AULREQANRTWROJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251874;MM251874;CC(=CCN)CNC(=N)N;DBIOKZLFXWNHNF-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251875;MM251875;CC(=CCO)CNC(=N)N;WWQOWFGOUVRWEV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251876;MM251876;CCC=C(C)CNC(N)=O;ZJJWINOGHGVLET-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251877;MM251877;CC(=CCF)CNC(N)=O;YFUJFGFERKXQCZ-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251878;MM251878;CCC=C(F)CNC(C)=N;HOLNVWHUOAEZCS-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251879;MM251879;CC(=N)NCC(F)=CCF;GJGKJPWQRGHMGI-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251880;MM251880;CCC=C(F)CNC(C)=O;OPXBJDGHERVGJQ-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251881;MM251881;CC(=O)NCC(F)=CCF;UBMNYAYHXFUDQX-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251882;MM251882;CCC=C(F)CNC(N)=O;UKTSAPCMUDRAJM-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251883;MM251883;NC(=O)NCC(F)=CCO;FQBZQTRWZJAKQG-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251884;MM251884;COC=C(C)CNC(C)=O;PZOWCHDATOHAPG-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251885;MM251885;COC=C(C)CNC(=N)N;XQNVYBUVTRETLS-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251886;MM251886;COC=C(C)CNC(N)=O;YZVMUSVEQPVKDL-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251887;MM251887;COC=C(F)CNC(=N)N;BGYIRSQLYOCAOE-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251888;MM251888;COC=C(F)CNC(N)=O;YJMDABRMSFFQBO-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251889;MM251889;CON=C(C)CNC(=N)N;XIURBNOAGIAJLE-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251890;MM251890;CC(C)(O)CN(C=N)C=O;PYEWNJKXFCOAQR-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251891;MM251891;C=C(C)OCC(C)=CCC;DMPCPHYLPNCVFM-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251892;MM251892;C=C(C)OCC(C)=CCO;IQXZLDOKDLNCLH-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251893;MM251893;CC(=CCF)COC(=N)N;NBRMXVOSYDWKGY-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251894;MM251894;CCC=C(C)COC(N)=O;FJNOSXSAKTWREQ-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251895;MM251895;CC(=CCO)COC(N)=O;ULKFHZKYARGKJK-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251896;MM251896;CCC=C(F)COC(N)=O;XJGJDVNMQDKJFH-UHFFFAOYSA-N;147.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251897;MM251897;NC(=O)OCC(F)=CCF;IVXBDBMYFMVNGM-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251898;MM251898;COC=C(C)COC(=N)N;STXBPDOXTZILBA-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251899;MM251899;COC=C(F)COC(C)=O;BTIABRYMBCDBJM-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251900;MM251900;COC=C(F)COC(=N)N;XTRYRUXXIXZIKV-UHFFFAOYSA-N;148.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251901;MM251901;COC=C(F)COC(N)=O;IDGZBIYOHZOWRN-UHFFFAOYSA-N;149.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251902;MM251902;C=C(C)OCC(C)=NOC;YFCWBKZTCHGGOZ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251903;MM251903;CON=C(C)COC(C)=O;RZTLUZJKANSFDG-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251904;MM251904;CON=C(C)COC(=N)N;MXNZHFNOBNLICM-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251905;MM251905;C=C(C)CNC(C)=NCC;MYCGBQUCYJAFOX-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251906;MM251906;CCN=C(C)NCC(=N)N;KPXURBKOFJVDTQ-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251907;MM251907;CCN=C(C)NCC(N)=O;SMVJXEPWPZCOOU-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251908;MM251908;CON=C(C)NCC(=N)N;YPBXIXMNZUHPJI-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251909;MM251909;CN(O)C=NOCC(N)=O;MPZBEKDVHBRRCX-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251910;MM251910;CNN=C(C)NNC(=N)N;IGNQMKRXOLFLLE-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251911;MM251911;CON=C(C)NNC(=N)N;INIVJGWAYHYUKE-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251912;MM251912;C=NOCCC(C)(O)CC;POONUSLSYXAFBK-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251913;MM251913;C=NN(CC(C)=O)C(N)=O;OTMGMGPHAJUBAR-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251914;MM251914;CC(C)=NN(C=N)C(N)=O;ZLWAJCAWRKROSQ-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251915;MM251915;CCNC(=O)N(N)C=NC;KWGCSJCFWNVLLZ-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251916;MM251916;CC(=CCO)OCC(=N)N;SIGXBEJLNADYMW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251917;MM251917;CC(=CCO)OCC(N)=O;WRNCVRLTROLFPJ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251918;MM251918;COC=C(C)OCC(N)=O;UAVRBIDYWWAXED-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251919;MM251919;CC=Cc1nnn[nH]1;LIXGZTCKAZKTPB-UHFFFAOYSA-N;110.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251920;MM251920;CNN=C(C)OCC(=N)N;VARFBVBDJUKVTI-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251921;MM251921;CC(=NN=CNO)C(N)=O;VNQCFBQSCSQKRO-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251922;MM251922;CC1(CNCC#N)CC1O;NYNRRCFUEMCQMT-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251923;MM251923;CNc1onc(O)c1O;XZGYVHAIOOCTGT-UHFFFAOYSA-N;130.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251924;MM251924;CNN=C(C)ONC(C)=N;CMSJGKXIQPNSIL-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251925;MM251925;CNN=C(C)ONC(=N)N;AJJBGDAZXSBHFH-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251926;MM251926;CNN=C(C)ONC(N)=O;YKKHYTLGHWDAED-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251927;MM251927;C=CC=C(C)CCC(=C)C;AMRRLPCUDYHUEZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251928;MM251928;C=C(C)CCC(C)=CC=O;KZKMQXXAIXEAFR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251929;MM251929;C=C(C)CCC(C)=CC#N;NNEXCEKZISDFJF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251930;MM251930;CC(=CC#N)CCC(=N)N;OBTCBWDHWBUIRU-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251931;MM251931;CC=NN(C=NC)C(N)=O;ASZAJMKKMGIXPR-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251932;MM251932;C=CC=C(C)CCC(=O)O;QRJLNIFGPXEONC-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251933;MM251933;CCC(=NO)C(F)C#N;JYELDPSJEVQYQW-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251934;MM251934;CC(=CC#N)CCC(=O)O;LIPKPQAQCYWDRZ-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251935;MM251935;C=C(C)CCC(N)=CC=O;LVTPCAPUUHJDKO-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251936;MM251936;C=C(C)CCC(F)=CC=O;NYGYLRGBVIRHKP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251937;MM251937;C=C(C)CCC(F)=CC#N;BDRGEGVHDMOLDE-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251938;MM251938;CC(=O)CCC(F)=CC#N;JKIGLCXFKWIARL-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251939;MM251939;C=CC=C(F)CCC(=N)N;YCIZNNXNLYMJOX-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251940;MM251940;N#CC=C(F)CCC(=N)N;KYHPMJOFBSBFOJ-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251941;MM251941;N#CC=C(F)CCC(=O)O;BLVLYTLMZQRHBR-UHFFFAOYSA-N;143.12;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251942;MM251942;CN=NC(=CNO)C(N)=O;UKEZILCOVHQELC-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251943;MM251943;C=NN=C(C)CCC(=N)N;DFMTWNJIYJNNCV-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251944;MM251944;C#CC(=NN)OCC(N)=O;YQNCHFNUXVUKTO-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251945;MM251945;CC(=O)NCC(C)=CC=O;AOTAJSRVLHHQBS-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251946;MM251946;CC(=N)NCC(N)=CC#N;LOPNNHJIXJAMEK-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251947;MM251947;C=CC1(CO)CN(N=C)C1;TWOPZUFKASHBNK-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251948;MM251948;N#CC=C(N)CNC(=N)N;UNPGFYLNDYWTDZ-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251949;MM251949;C=CC(=N)N(N)C(=O)NC;OUTLASGAOGJGPZ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251950;MM251950;CC(=N)NCC(F)=CC=O;ISRJXLFYPUJXSL-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251951;MM251951;CC(=N)NCC(F)=CC#N;OMUYDDCGBNKQPA-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251952;MM251952;CC(=O)NCC(F)=CC#N;ZABFDFVVCQTBBT-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251953;MM251953;C=NN=C(C)CNC(=N)N;IUKGNZFLYJOOPV-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251954;MM251954;C=CC=C(C)COC(=C)C;HOODUKWFOMBLPS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251955;MM251955;C=CC=C(C)COC(C)=O;ZCMGYJFHGCCNOC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251956;MM251956;CC(=O)OCC(C)=CC=O;QXQQCYKFELYFGP-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251957;MM251957;CC(=O)OCC(C)=CC#N;NFFYBZALWMCIQP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251958;MM251958;C=CC=C(C)COC(=N)N;MVAHJRJDLISBKI-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251959;MM251959;C=C(C)OCC(N)=CC#N;XTPJYFYQTDCYEA-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251960;MM251960;CC(=O)OCC(N)=CC=O;SWQLKBWZDJURBN-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251961;MM251961;N=C(N)OCC(N)=CC=O;VXBAHUKYBAAQIE-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251962;MM251962;NC(=O)OCC(N)=CC=O;XQLCCSTWVAWTMC-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251963;MM251963;CC(CO)NN=CCC=O;QTAIMVGOVRQINA-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251964;MM251964;C=CC=C(F)COC(=C)C;RPMXDSIWJXTRNJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251965;MM251965;N#CC=C(F)COC(N)=O;GWOFXOAWVIVIHG-UHFFFAOYSA-N;144.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251966;MM251966;C=NN=C(C)COC(=N)N;QNNWCELECCPUDG-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251967;MM251967;C=NN=C(C)COC(N)=O;YUJCCEHPLWVBBL-UHFFFAOYSA-N;143.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251968;MM251968;CC(=O)CNC(C)=CC=O;HQGAZWIJTRVGDQ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251969;MM251969;CC(=CC#N)NCC(=N)N;LFLNPTAKPXDQFA-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251970;MM251970;CC(=CC=O)NCC(N)=O;SIMNFMGKLJPMHZ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251971;MM251971;C=C(C)CNC(N)=CC#N;JNZGDEFGTJRDEM-UHFFFAOYSA-N;137.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251972;MM251972;CC(=O)CNC(N)=CC=O;RJARMKQMUZEYCF-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251973;MM251973;N=C(N)CNC(N)=CC=O;LHXXQSMCALYFMU-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251974;MM251974;N#CC=C(N)NCC(=N)N;YIAHXHDYNAHNFT-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251975;MM251975;CON=CC(=CC#N)CO;IXJJLZKUCDEEEW-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251976;MM251976;Oc1c(CF)cnn1O;VDGUJLUXTVDIKG-UHFFFAOYSA-N;132.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251977;MM251977;C=C(F)CNC(N)=CC#N;XVWVHPISGCIVDZ-UHFFFAOYSA-N;141.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251978;MM251978;CC(=NCC(=N)N)NC=N;AOORDXZUYGNPGZ-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251979;MM251979;CC(N=CN)=NCC(N)=O;HIJNMCURMVBZMN-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251980;MM251980;Cn1nc(O)c(=N)nc1O;POTQAJITTSJORP-UHFFFAOYSA-N;142.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251981;MM251981;C=NN=C(C)NCC(=N)N;XOWZLBQCGJOISU-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251982;MM251982;CC(=O)NNC(N)=CC#N;LRVKFVSIGSSOSJ-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251983;MM251983;N=C(N)NNC(N)=CC=O;FTPYZXDDAZIWNW-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251984;MM251984;CC(=NNC(N)=O)NC=N;RHNURMAKWIZKPU-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251985;MM251985;CC(=NNC(N)=O)NC=O;UWYLJFWSIFWKEX-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251986;MM251986;C=NN=C(C)NNC(C)=N;FLSANUKWYZCGAY-UHFFFAOYSA-N;141.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251987;MM251987;CC(=NOC(N)=O)NC=O;VQYQHLIFIYULPK-UHFFFAOYSA-N;145.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251988;MM251988;C=C(C)COC(C)=CC#N;WRVBVDKJAIRUBV-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251989;MM251989;C=CC=C(C)OCC(C)=O;FCXMBXACLWYRJH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251990;MM251990;C=CC=C(C)OCC(=N)N;CDEHPRRIDCATHW-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251991;MM251991;CC(=CC=O)OCC(=N)N;FTACXTMBKNODJE-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251992;MM251992;C=CC=C(C)OCC(N)=O;VKCPCLJWRCAPLV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251993;MM251993;N=c1onc(O)n1O;AWHUTURGALCGAI-UHFFFAOYSA-N;117.06;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251994;MM251994;C=C(C)COC(N)=CC#N;HKYWARAGJUUNJI-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251995;MM251995;N=C(N)COC(N)=CC=O;AREIVTZMEHVAKZ-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251996;MM251996;NC(=O)COC(N)=CC=O;URABRHBVNNOIGH-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251997;MM251997;C=C(F)COC(N)=CC=O;MCZBOBAQOMYGQS-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251998;MM251998;C=C(F)COC(N)=CC#N;LMPQDLLEMPGFTO-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM251999;MM251999;C=NN=C(C)ONC(C)=N;JZYJRQPEQNMCAH-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252000;MM252000;C=NN=C(C)ONC(=N)N;XXAWCPXHPVUKOW-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252001;MM252001;C#CC=C(C)CCC(=C)C;MRSJZCZOFGVWHE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252002;MM252002;C#CC=C(C)CCC(C)=O;DNIZDRIEEAWRES-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252003;MM252003;C#CC=C(C)CCC(=N)N;BFUQTKKGBIPXMD-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252004;MM252004;C=C(F)C(=CC=NN)CO;RVKJQUZGGLZILH-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252005;MM252005;C#CC=C(C)CCC(=O)O;PPIDLBBFVDNQFN-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252006;MM252006;C#CC=C(C)CCC(=C)F;UUZQOXMJUVVPBN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252007;MM252007;C#CC=C(F)CCC(=C)C;VWXOFCFHAGNFDX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252008;MM252008;C#CC=C(F)CCC(C)=O;AQWIAZMIHTWSKH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252009;MM252009;C#CC=C(F)CCC(=N)N;FMGBBEXSBZQAJG-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252010;MM252010;C#CC=C(F)CCC(=O)O;PRBAZDUHRJFTIE-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252011;MM252011;C#CC=C(C)CNC(C)=O;HBHWFMOQXZQPGG-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252012;MM252012;C#CC=C(C)CNC(=N)N;ZRQHBMFIYFEMEO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252013;MM252013;C#CC=C(F)CNC(C)=O;AKJNIARYCIUBIB-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252014;MM252014;C#CC=C(C)COC(=C)C;CQSURKRGQYKYCP-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252015;MM252015;C#CC=C(C)COC(C)=O;FHMRMDNVOBRYPH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252016;MM252016;C#CC=C(C)COC(=N)N;JTVASWQVWFRLLY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252017;MM252017;C#CC=C(C)COC(N)=O;ISGHCGYQRAIZGU-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252018;MM252018;C#CC=C(F)COC(=C)C;QXVZFTDDBLKPGC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252019;MM252019;C#CC=C(F)COC(C)=O;MUKIXAKKRPTVQC-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252020;MM252020;C#CC=C(F)COC(=N)N;YAMJTSJENHUFMS-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252021;MM252021;C#CC=C(F)COC(N)=O;JTHFELDNIGWIRA-UHFFFAOYSA-N;143.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252022;MM252022;C#CC=C(C)OCC(=C)C;WXIRHHQMYJMWBZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252023;MM252023;C#CC=C(C)OCC(C)=O;HGLQTZDHJWOJPN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252024;MM252024;C#CC=C(C)OCC(=C)F;PXJCKMYVZIVFLC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252025;MM252025;CC(N)C=CC(C)CCF;WVVNBOHNUUKFLY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252026;MM252026;CC(O)C=CC(C)CCN;NGIBQBSEJCTPDI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252027;MM252027;C=CC(=NN)C(CO)CO;CHHVXKPRLKYZNS-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252028;MM252028;CC(C=CC(F)F)CCN;FPEDAHVJDDTCLH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252029;MM252029;CCCC(N)C=CC(C)C;YOAYMSSHZMGLOA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252030;MM252030;CC(C)C=CC(N)CCF;XGAVDNZFOMSXME-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252031;MM252031;CCCC(N)C=CC(C)N;CFFDUNJMOKQLKF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252032;MM252032;CCCC(N)C=CC(C)F;OXOOSCIYMOQCPL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252033;MM252033;NC(C=CC(F)F)CCF;GNPXNPIGIHOHEP-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252034;MM252034;C=NNC(=N)C(=CN)CO;RZWIWLJXZUJPMN-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252035;MM252035;CCCC(O)C=CC(C)N;WZQBANDYDYMYJA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252036;MM252036;CC(N)C=CC(O)CCN;LSTQHXOROKZJRV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252037;MM252037;CC(N)C=CC(O)CCO;SQOWBOOPHSADOW-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252038;MM252038;CCCC(O)C=CC(C)O;VXZSZANXFXGDCW-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252039;MM252039;CCCC(O)C=CC(C)F;QUTOGUDJEQRLRO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252040;MM252040;CC(F)C=CC(O)CCN;WKMBFPNAVJISRF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252041;MM252041;OCCC(O)C=CC(F)F;KDTPYHZEWBKUNZ-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252042;MM252042;CC(N)C=CC(F)CCF;FWEHECSJDNECSU-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252043;MM252043;CNCC(C)C=CC(C)F;FIDPKAZALIDNMG-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252044;MM252044;CNCC(C)C=CC(F)F;GUZCBANUXQYQEF-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252045;MM252045;CNCC(N)C=CC(C)F;LLCGCIJFKOEPAO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252046;MM252046;CNCC(N)C=CC(F)F;NREKTFXYQPYPDK-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252047;MM252047;CNCC(O)C=CC(C)N;AVTPOHJSLLLOFW-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252048;MM252048;CNCC(O)C=CC(C)F;FLHSVMVNHUVOAU-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252049;MM252049;CNCC(F)C=CC(C)O;OLFCLXBBVBRBMH-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252050;MM252050;COCC(N)C=CC(C)C;QEFDCXUJPXJRMU-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252051;MM252051;CC(C=NN(C)C)CCF;NHJZYQMWEHDFJI-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252052;MM252052;CNCC(O)C=NN(C)C;WVOXFJKQELLTFO-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252053;MM252053;CCOC(C)C=NN(C)C;MKXMHEHZIUOFRZ-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252054;MM252054;CC(CCN)N=CN(C)O;RDPAJOGLZHKCHT-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252055;MM252055;CNCC(C)N=CN(C)O;YNDOFLXIHVKREX-UHFFFAOYSA-N;145.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252056;MM252056;CCNN(C)C=NC(C)C;WFURYUZFRVZWBO-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252057;MM252057;CCCN(C)N=CC(C)C;YDYXKXVZTSSSEQ-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252058;MM252058;C=C(C=NN)C(=CF)CO;QXXHXVZWKUNXOJ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252059;MM252059;C=C1C(CC)=NNC1CO;AVWOANXXYDARGQ-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252060;MM252060;CCCN(C)C=NN(C)C;ZLQNHSYSMRLYJH-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252061;MM252061;CN(C=NN(C)C)CCN;BCJHODYGHZCCKG-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252062;MM252062;CCn1ccc(CO)c1N;UUXOOUMJVRGESG-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252063;MM252063;CCc1c[nH]c(N=N)c1F;UWIPNWUSGCIZPN-UHFFFAOYSA-N;141.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252064;MM252064;CCON(C)C=NN(C)C;BXUDJOFMRZYEHP-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252065;MM252065;CN(C)C=NN(C)CCO;HOUSARCQGBQYKW-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252066;MM252066;C#CC#CC1NC1C(N)=O;RZCNQULAPDZXSJ-UHFFFAOYSA-N;134.14;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252067;MM252067;C=NN1CC1CO;NKYDUFYJQLTDHK-UHFFFAOYSA-N;100.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252068;MM252068;O=C1C=C(CO)C=N1;CQPFPIILBNIUFU-UHFFFAOYSA-N;111.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252069;MM252069;CC=NN1CC1CO;DYOFDISBPZNQBZ-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252070;MM252070;CC(F)C=CC(C)CC=O;KIVSIPYHQHWGND-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252071;MM252071;CC(C=CC(F)F)CC=O;ATMSLBSUCJXFKO-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252072;MM252072;C=CCC(N)C=CC(C)C;CEOGAHZGKNSJEA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252073;MM252073;C=CCC(N)C=CC(C)O;SRLRILVILPDORW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252074;MM252074;C=CCC(N)C=CC(C)F;FXXJSKNZOHJREE-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252075;MM252075;CC1CN1C1CC1O;WROXWTNGZXRIDL-UHFFFAOYSA-N;113.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252076;MM252076;C=CCC(O)C=CC(C)O;VLAIDUUFQSFKLO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252077;MM252077;CC(O)C=CC(O)CC=O;MKOZHYLDPINADI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252078;MM252078;CC(C)C=CC(F)CC=O;ADUNDACOOCQUKG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252079;MM252079;C=CCC(F)C=CC(C)O;VAVYUEZRVLNMJW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252080;MM252080;CC(F)C=CC(F)CC=O;IXEDVOUNXJDOAJ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252081;MM252081;CC(C)C=CC(C)NC=N;NDNNGVHRSMEPJY-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252082;MM252082;CC(O)C=CC(C)NC=N;NDBYSSKTZRIPHD-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252083;MM252083;CC(O)C=CC(C)NC=O;FZFAZARJQBSJFP-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252084;MM252084;C=NNC(C)C=CC(C)C;SRXHZNBGMAKZQM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252085;MM252085;C=NNC(C)C=CC(F)F;GRQRNSAKZJKURU-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252086;MM252086;CC(C=CC(F)F)OC=O;MELKXXDOXGNVKZ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252087;MM252087;C=NOC(C)C=CC(C)C;RSGISIVKNPYKEC-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252088;MM252088;CC(C)(O)C=CC=NN;GJXCTXFBJGUZJG-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252089;MM252089;CC(O)CN=C(N)C=O;RFERDJSWOODFIK-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252090;MM252090;CN=CN(N)C(=O)NC;SLYFNQBIEXVXFF-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252091;MM252091;C=NNC(C)C=NN(C)C;XDYMUIUNGMQGAP-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252092;MM252092;CC(CC=O)N=CN(C)C;NTZBACVVXGMQSG-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252093;MM252093;CC(C)N=CN(C)CC=O;HKRIUFLSTOPZCC-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252094;MM252094;CC(C)N=CN(C)CC#N;ZMYGWAKWCJTDSH-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252095;MM252095;C=CCN(N)C=NC(C)C;PJUQXJHGMMOZMF-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252096;MM252096;CC(C)N=CN(C)NC=N;DEDJPHXVANJRLR-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252097;MM252097;CNN(C=CF)C(N)=O;OLXNZQVKLODUBN-UHFFFAOYSA-N;133.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252098;MM252098;N#CC(=N)NC1CC1O;PAQBATYCHHDUAF-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252099;MM252099;C=CCN(C)N=CN(C)C;VGZAATYZUYHMOK-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252100;MM252100;Cc1cc(CO)cn1N;ZMUHQCVOOFUBAT-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252101;MM252101;C#CCC(C)C=CC(C)F;CNLSSIKDKIATBJ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252102;MM252102;C#CCC(C)C=CC(F)F;GMXPLBHUGFASRJ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252103;MM252103;CC1(C)CN1C1CC1O;ZMRLDPZZBQNENM-UHFFFAOYSA-N;127.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252104;MM252104;C#CCC(O)C=CC(C)N;MBIHAOFTECIUTM-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252105;MM252105;C#CCC(F)C=CC(C)C;XZTIKAJPTZCRGU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252106;MM252106;C#CCC(F)C=CC(C)N;KJZOEVCVDULZCV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252107;MM252107;N#CC=CNC1CC1O;DAEYWMCOJUKLGL-UHFFFAOYSA-N;124.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252108;MM252108;CN(CC#N)C1CC1O;HMORDITVLXTNCW-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252109;MM252109;N#CC(C#N)NCCO;YYRJNSXHWVESFC-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252110;MM252110;O=CC(=O)C1NC1CO;MFPFBCSJAODCCM-UHFFFAOYSA-N;129.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252111;MM252111;C=C(C)C=CC(C)CCN;MZHMJEFVUMEFFY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252112;MM252112;C#CC=NN1CC1CO;GVQUCMAVEWDHPI-UHFFFAOYSA-N;124.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252113;MM252113;CC1C(C)N1C1CC1O;AQGOKPZAMGHSTA-UHFFFAOYSA-N;127.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252114;MM252114;CC(C=CC(=N)N)CCN;WHHHITDVZVFMNT-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252115;MM252115;CC(C=CC(=N)N)CCF;GMSWCNDJYIKXJD-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252116;MM252116;CC(CO)NN(C)C(N)=O;UNOWXIUOIDEIAJ-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252117;MM252117;C#CC(F)CN(N)C(N)=O;LEYBOLLOHLNORA-UHFFFAOYSA-N;145.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252118;MM252118;COC(=N)N=C(N)C(N)=O;YGFFQHWNCKKXJT-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252119;MM252119;CCCC(C)C=CC(=O)O;LUZDHFBIJYJLMK-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252120;MM252120;Cn1[nH]c(=O)n(N)c1=O;CZJRBSRCXYFZMD-UHFFFAOYSA-N;130.11;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252121;MM252121;CC(C=CC(=O)O)CCF;WTTFSBSAVXUMDC-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252122;MM252122;C=C(F)C=CC(C)CCN;NNKPXPRPIXCUKQ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252123;MM252123;C=C(C)C=CC(N)CCF;WDKGLBUSLGCGCC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252124;MM252124;N=C(N)C=CC(N)CCN;MJVXMCDRWRUEKP-UHFFFAOYSA-N;142.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252125;MM252125;C=C(F)C=CC(N)CCO;HCAQDBDJVDIHFC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252126;MM252126;C=C(F)C=CC(N)CCF;QUMVGRQVVHOYOU-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252127;MM252127;C=C(C)C=CC(O)CCN;WTFCFOOXGKBIBA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252128;MM252128;CCCC(O)C=CC(C)=O;NKCMRQKUVCJOPK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252129;MM252129;CCCC(O)C=CC(=N)N;MNWGIXDHQIRMRI-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252130;MM252130;N=C(N)C=CC(O)CCF;SVBOWFVDJDZQBZ-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252131;MM252131;Cn1nc(O)nnc1=NN;OHILGYXZQIRYHH-UHFFFAOYSA-N;142.12;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252132;MM252132;C=C(C)C=CC(F)CCC;MZHWPJVRHUCWGT-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252133;MM252133;C=C(C)C=CC(F)CCO;YAZRILSLLCCXKK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252134;MM252134;C=C(C)C=CC(F)CCF;FPNDBHDAXNYCGT-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252135;MM252135;C=C(F)CNC(=N)C(N)=O;ZXECFUIZAHDZJZ-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252136;MM252136;C=C(C)C=CC(C)CNC;LOYSQXQIXZXUBA-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252137;MM252137;CNCC(C)C=CC(C)=O;HGFLTMPPMXRUNU-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252138;MM252138;CNCC(C)C=CC(=N)N;XPEWBQVHIXRAAO-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252139;MM252139;CNCC(C)C=CC(N)=O;QYXLLGLHMMZYRU-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252140;MM252140;C=C(F)C=CC(C)CNC;DVMZTKIIHWKZMJ-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252141;MM252141;CNCC(O)C=CC(C)=O;GECOYDFZCUWMQU-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252142;MM252142;COCC(O)C=CC(=N)N;VQGUAGQTPBICBS-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252143;MM252143;NN(C=C(F)F)C(=O)CF;KQLUYDXKUAQACP-UHFFFAOYSA-N;154.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252144;MM252144;C=C(C)C=CC(C)NCC;GCKPWWSWDMAYKA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252145;MM252145;CCOC(C)C=CC(C)=O;NAQYNXWCOQEYRO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252146;MM252146;COC(C=NN)OC(N)=O;HRFLKALJSXDFEZ-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252147;MM252147;C=C(C(N)=O)C(CO)CO;RBVAYYXSWJVMSO-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252148;MM252148;CC(=NN)C(F)=C(C)CO;WHFWCFORYIFLIW-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252149;MM252149;CCCN(C)C=NC(=N)N;PWDVGAKNTRPEDT-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252150;MM252150;CN(C=NC(=N)N)CCN;PMMHIPMSHXVGHM-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252151;MM252151;CN(C=NC(=N)N)CCO;QCRLZHXQRAXVMU-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252152;MM252152;CCC(O)C#CCC=NN;SCHPSDRGPHIZEY-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252153;MM252153;CCCN(N)C=NC(=N)N;PDWYELCMIDLLQS-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252154;MM252154;N=C(N)N=CN(N)CCO;ZHWRWPOHIMMZFK-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252155;MM252155;C=NOC(CF)C(=O)C#N;IZKMKEFGFJAGTG-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252156;MM252156;C=NNC(CO)C(C)=CF;VJGQFERZKBDGKI-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252157;MM252157;CC(=O)N=CN(O)CCF;HNQHRGNUKKQILX-UHFFFAOYSA-N;148.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252158;MM252158;CCCN(O)C=NC(=N)N;NLLFPRSHSSTFAF-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252159;MM252159;N=C(N)N=CN(O)CCO;NESVNUJJFNRRKW-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252160;MM252160;N=C(N)N=CN(O)CCF;HGIVAZKFAMFXKU-UHFFFAOYSA-N;148.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252161;MM252161;NC(=O)N=CN(O)CCO;JORDYWDJNWGIMR-UHFFFAOYSA-N;147.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252162;MM252162;CCON(C)C=NC(=N)N;GQYUIBGPUBJLMO-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252163;MM252163;CCON(C)C=NC(N)=O;VNASZPAGATYXHS-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252164;MM252164;C=C(C)C=NN(C)CCC;IKPYVCLAFSIZHO-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252165;MM252165;C=C(C)C(CO)N(N)C=O;YBZGOSHSMSPCFX-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252166;MM252166;CN(CCN)N=CC(=N)N;UZDHIEDSYDIDIT-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252167;MM252167;C=NN(CCC=O)C(N)=O;UNRKVQNUDDWKIX-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252168;MM252168;C=CCC(C)C=CC(=C)C;GWDZXWPOJOOFGX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252169;MM252169;C=C(C)C=CC(C)CC#N;DCSMFDCASWCQCJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252170;MM252170;C=CCC(C)C=CC(C)=O;QLPCTBGCHULLSC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252171;MM252171;CC(=O)C=CC(C)CC=O;CZUYDIBWAXMKAM-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252172;MM252172;C=CCC(C)C=CC(=N)N;BTURAUANQCBPEV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252173;MM252173;CC(C=CC(=N)N)CC=O;UWFQSSLZABUHMS-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252174;MM252174;CC(C=CC(=N)N)CC#N;CUGUBDCOEKPCGS-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252175;MM252175;C#CC(OC=NN)C(N)=O;SMPHCAQCNOVDHP-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252176;MM252176;C=CCC(C)C=CC(=O)O;DKERUHPTQXBUBD-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252177;MM252177;C=NOC(C)C(C)C(=O)O;KAIXESQWPIHNGH-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252178;MM252178;C=C(F)C=CC(C)CC=O;BDMVSQXTUQQRCR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252179;MM252179;C=CCC(N)C=CC(=C)C;AJLWRCWXBGKUBO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252180;MM252180;CNN=CC(C=O)C(C)O;VIPVVXPWLQCGME-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252181;MM252181;CC(=O)C=CC(O)CC=O;FVGMLLJDZLKGBU-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252182;MM252182;C=CCC(O)C=CC(=N)N;WHPRCOOJMJXSAE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252183;MM252183;C=CCC(O)C=CC(N)=O;QHYPBOVNZJZTQG-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252184;MM252184;C=C(C)C=CC(F)CC=O;NAOSFQUUYOTDSI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252185;MM252185;N=C(N)C=CC(F)CC=O;LUDIJHPMZBQREZ-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252186;MM252186;O=CON=CC(CO)CO;IVWSEUXRNDXJNV-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252187;MM252187;C=C(F)C=CC(F)CC=O;MIEFVTPCILMEGE-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252188;MM252188;C=C(C)C=CC(C)NC=N;SXOKRYQGUUIOJW-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252189;MM252189;CNN=C(C)C(CO)CO;VJLYTFPTXJDTDT-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252190;MM252190;CC(C=CC(=N)N)NC=N;HWWSDKJBXJIOHP-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252191;MM252191;Cc1nn(O)c(=N)nc1O;INHXKTUGWUSFNP-UHFFFAOYSA-N;142.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252192;MM252192;C=C(F)C=CC(C)NC=N;JJUJAMYOSDDHOV-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252193;MM252193;C=NNC(C)C=CC(=N)N;LGRZJBNMYNWFSQ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252194;MM252194;C=NNC(C)C=CC(=C)F;YHHUFCMNJKFQFB-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252195;MM252195;CC(=O)C=CC(C)OC=O;DMSBFQPDVUBXHZ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252196;MM252196;CON=C(C)C(CO)CO;AYFYMWOSYIHGQI-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252197;MM252197;N#CC(C=O)NC1CC1O;HVWYSHCSFRRZTP-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252198;MM252198;CN=C(C=O)NC1CC1O;QKZYUORJGMWHNI-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252199;MM252199;Cn1nc(O)c(=O)c(=O)o1;QMPOYBFGPIWTFA-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252200;MM252200;CN=C(C#N)NC1CC1O;BZBXIQMCBRVISP-UHFFFAOYSA-N;139.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252201;MM252201;Nn1ncc(CO)cc1=O;CQSNHYHHORFEHD-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252202;MM252202;C=CCN(C)C=NC(=N)N;KNWNFNFEYMENKX-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252203;MM252203;CC(=O)N=CN(O)CC=O;ZCLPRBHQIHJJIM-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252204;MM252204;N=C(N)N=CN(O)CC=O;VPBOPPGOLDTZCS-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252205;MM252205;NC(=O)N=CN(O)CC=O;GWHADFMWBQARPH-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252206;MM252206;C=CC1(C)CN1C1CC1O;PMKZZCIBDMDNBT-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252207;MM252207;CN(C=NC(=N)N)NC=N;MCNGVNGMTCOBRB-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252208;MM252208;CC(=N)N=CN(C)OC=O;XZVFOGIRGGIXIM-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252209;MM252209;CN(C=NC(=N)N)OC=O;DHYBJCGQMKNBAS-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252210;MM252210;CN(C=NC(N)=O)OC=O;FXAQNCLIRWMWPP-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252211;MM252211;CC1(C=O)CN1C1CC1O;YDYJBGPSLUYNBP-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252212;MM252212;CC1(C#N)CN1C1CC1O;MJTIZYAAHYBXEN-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252213;MM252213;CCC(=O)CC=CC(=O)O;IRENSHAMVDUPQC-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252214;MM252214;C#CC1(C)CN1C1CC1O;ZSFGOPOKYWFZRB-UHFFFAOYSA-N;137.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252215;MM252215;C=C(F)C=NN(C)CC#N;QRSMAIZCIJAVMN-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252216;MM252216;C#CCC(C)C=CC(=C)C;ACMMKSLVEVOFCS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252217;MM252217;C#CCC(C)C=CC(C)=O;METMWZGSIPFSCO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252218;MM252218;C#CCC(C)C=CC(=N)N;DXPQMCKDMDLMQS-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252219;MM252219;CC1C(=O)CN1C1CC1O;FEKIBEAHVIWWJR-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252220;MM252220;C#CCC(C)C=CC(=O)O;IQBKGORVUFBHEX-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252221;MM252221;C#CCC(N)C=CC(=C)C;OSUWSQLEQUHKDF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252222;MM252222;CCC1C(O)C1CC=NN;KJZBFGIKZMOXRI-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252223;MM252223;C#CCN(N)C=NC(=N)N;POIGLSMZIHHPFV-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252224;MM252224;C#CCN(O)C=NC(C)=O;ZGUXZGROKDGCMO-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252225;MM252225;C#CCN(O)C=NC(=N)N;SPLPJVOHPKGFSU-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252226;MM252226;C#CCN(O)C=NC(N)=O;RNYRBUMHQFRMPW-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252227;MM252227;C#CCN(C)N=CC(=N)N;QULFUQOHIDLVBX-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252228;MM252228;C=C(C=CC(C)C)CCC;XGPSMKMYHKKOKG-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252229;MM252229;C=C(C=CC(C)N)CCC;SYGDMGBKFXWQIT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252230;MM252230;C=C(C=CC(C)N)CCF;JPTWPWCLDUBFAT-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252231;MM252231;C=C(C=CC(F)F)CCN;YBRMQPNGAGWFNV-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252232;MM252232;CCCC(=O)C=CC(C)C;KBOYTXRTSGPWID-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252233;MM252233;CC(C)C=CC(=O)CCO;SYNUOCZGVXMZHP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252234;MM252234;CCCC(=O)C=CC(C)O;RPFCDRIMOFYZRO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252235;MM252235;CCCC(=O)C=CC(C)F;YYXIADPSPAVNCJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252236;MM252236;CC(F)C=CC(=O)CCO;RKQZFBXJNLYQMK-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252237;MM252237;CC(F)C=CC(=O)CCF;UWLAOGBSJSSJIX-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252238;MM252238;CCCC(=O)C=CC(F)F;MVQHOFNFDDHSLN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252239;MM252239;C=C(C=CC(C)C)CNC;UFGMBKOWCKMGLV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252240;MM252240;C=C(C=CC(C)N)CNC;GEGITNPMLUJZCJ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252241;MM252241;C=C(C=CC(C)F)CNC;AFXMHZSEKAWCEJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252242;MM252242;C=C(C=CC(F)F)CNC;WQYPLJLBOKNJGY-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252243;MM252243;OC1CC1N1CC1;AZTHYGWKKHAFAM-UHFFFAOYSA-N;99.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252244;MM252244;CONC(=N)C=CC(C)O;BDJMYAFCAWNSBV-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252245;MM252245;CCCC(=O)C=CN(C)C;WDCXDDFQZVBSKY-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252246;MM252246;Cc1nc(N)oc1C;VHZVSAXCIKCRAK-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252247;MM252247;C=C(C=NN(C)C)CCC;FYWTXOKKXWDQKW-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252248;MM252248;CCCC(=O)C=NN(C)C;QHUWVXGCUWNQHU-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252249;MM252249;NN=CC(CO)CO;JHFBJFGZNOBMLB-UHFFFAOYSA-N;118.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252250;MM252250;C=C(C=NN(C)C)CNC;HUZXUBCRNIXMLS-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252251;MM252251;C=C(C=NN(C)C)COC;ONZKRAITCOTYBG-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252252;MM252252;NNc1cc(F)on1;UNTOGYCIDQQTSX-UHFFFAOYSA-N;117.08;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252253;MM252253;C=C(C=NN(C)C)OCC;MFEMTXXTYCXEEA-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252254;MM252254;CN(C)C=NC(=N)CCO;SJAKQVYFRAAHAT-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252255;MM252255;CCCC(=O)N=CN(C)C;HPMLNNQPLYIHLF-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252256;MM252256;C=NNc1cc[nH]n1;AVHZZMWRUPAPIP-UHFFFAOYSA-N;110.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252257;MM252257;N#CCNC1CC1O;HRBMKCIGHFVKQS-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252258;MM252258;CN(O)C=NC(=O)CCO;UBNDJHAJIFXTOW-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252259;MM252259;CNC(=O)OC(C)=NN;BLFWMFLCQRMECX-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252260;MM252260;CCNC(=N)N=CN(C)O;IKSMJZKJLLDUDL-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252261;MM252261;C=NNC=NCC(C)O;RUGGYZMMRMGPSD-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252262;MM252262;CC(C#N)NC1CC1O;BOOUSHRGPDKGEF-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252263;MM252263;CNNC(=N)N=CN(C)C;BZDGOOTXHDZFAP-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252264;MM252264;C=Cc1cc(F)c(N)[nH]1;AHHHLYSSIDNMLD-UHFFFAOYSA-N;126.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252265;MM252265;CNNC(=O)N=CN(C)O;FFDRFGKCWWBRBD-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252266;MM252266;CONC(=N)N=CN(C)C;PPOSMORMFCIAMM-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252267;MM252267;CONC(=N)N=CN(C)N;BNQKBLOYZHXQSB-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252268;MM252268;CONC(=N)N=CN(C)O;IRYFVPOLGUDQNI-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252269;MM252269;CCOC(=N)N=CN(C)N;XIHAUHXHTMAGKK-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252270;MM252270;CCOC(=O)N=CN(C)C;CAWCNIUQKMMWRM-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252271;MM252271;C=C(C=CC(C)C)CC=O;KYNTVKATBHVBLG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252272;MM252272;C=C(C=CC(C)C)CC#N;WSXORKOBVMGXJM-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252273;MM252273;C=CCC(=C)C=CC(C)N;JFYCCTIKFGWUDL-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252274;MM252274;CC=Cc1cc(C)[nH]n1;WWPCHJDTHSDOTH-UHFFFAOYSA-N;122.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252275;MM252275;CC1=C(CO)C=NC1=N;VDGQIEUVYDPMCZ-UHFFFAOYSA-N;124.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252276;MM252276;CC1C(O)C1CC=NN;VSQQFCPAAVRGMB-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252277;MM252277;C=C(C=CC(C)F)CC=O;SUQNKARQZOKXOX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252278;MM252278;C=C(C=CC(F)F)CC=O;UURCFXXCGQWJME-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252279;MM252279;C=CCC(=O)C=CC(C)C;NEZLNZBFNICVHU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252280;MM252280;C=CCC(=O)C=CC(C)O;INTKKSYVKHTEJR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252281;MM252281;CC(C)C=CC(=N)NC=N;YYYUKOOEIKSALP-UHFFFAOYSA-N;139.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252282;MM252282;CC(N)C=CC(=N)NC=O;CTJGSOMZDSHOCV-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252283;MM252283;C=CNC(=N)C=CC(C)F;VSPHVWNRGFIOHS-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252284;MM252284;CC(C)C=CC(=O)NC=O;DQIMUQSSIOZGBT-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252285;MM252285;C=NNC(=N)C=CC(C)N;IEPRDUAYSAUFNA-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252286;MM252286;CC(C)(O)CNC(=N)C#N;PCSRDYQWYQOIQW-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252287;MM252287;C=NNC(=O)C=CC(C)N;FQZRWIRJTISVQD-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252288;MM252288;C=COC(=C)C=CC(C)O;YMDCYCYBSRGNDF-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252289;MM252289;CC(OC=NN)OC(N)=O;KHUYBWCDFDHGIM-UHFFFAOYSA-N;147.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252290;MM252290;CN(C)C=CC(=N)NC=N;JZZPVCXJQUUWBH-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252291;MM252291;C=CCC(=C)C=NN(C)C;JEXBGBXGDUZXGP-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252292;MM252292;CN(N)C=NC(=N)C(N)=O;ITBKWDLFLFHVNG-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252293;MM252293;CC(O)CN=CN(C)C=O;JMSGJFAKYDXWMX-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252294;MM252294;CN(C)N=CC(=O)CC#N;TVDFKOMLABIWCS-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252295;MM252295;C=C(C=NN(C)C)NC=N;AQGILSSDQBGVJN-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252296;MM252296;C=CNC(=N)C=NN(C)C;FIEVIPMJGZFWJT-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252297;MM252297;CN(C)N=CC(=O)NC=O;ISDZJXWALGKOJE-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252298;MM252298;C=C(C=NN(C)C)OC=O;OKROEBBFMMDRCV-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252299;MM252299;CC(CC(O)CCO)=NN;XQNXVJZTXDCCFS-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252300;MM252300;C=NNC(C=C(C)F)CO;HKKLWLNVRDQYIE-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252301;MM252301;C=NNC(C=C(F)F)CO;YCVMSKZGQYYZMW-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252302;MM252302;CN(O)C=NC(=O)CC#N;FWOOWKZFTFSSBJ-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252303;MM252303;C=CNC(=N)N=CN(C)C;CCFBRGNVBRENIW-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252304;MM252304;C=CNC(=N)N=CN(C)N;CEDNXINVPRKFQV-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252305;MM252305;CC(F)=CN(C=N)C(N)=O;IKAIOQYDPUDDAS-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252306;MM252306;CC(C)(C#N)NC1CC1O;QQXMDRYMTYUSJV-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252307;MM252307;CON=CN=C(N)C(N)=O;DYHPUSYTXLVANU-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252308;MM252308;C=CNC(=O)N=CN(C)O;HZNSEJHZNDLMBF-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252309;MM252309;CN(O)C=NC(=O)NC=N;FZFJXRMQRJUCNR-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252310;MM252310;CN(O)C=NC(=O)NC=O;KKGSOGIWPKTBBA-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252311;MM252311;C=NNC(=N)N=CN(C)N;NFQSPDLGZAVGSZ-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252312;MM252312;C=NNC(=O)N=CN(C)O;JTPBGWOMRYRHSA-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252313;MM252313;CN(N)C=NC(=N)OC=O;HYKOCMQHSNXLHJ-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252314;MM252314;CN(N=CCC=O)C(N)=O;APHGXHIPTLTNDW-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252315;MM252315;C=NOC(=N)N=CN(C)N;MVEYVTTZPLVWSP-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252316;MM252316;C#CCC(=C)C=CC(C)C;HLYCJIUDZAEMHW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252317;MM252317;C#CCC(=C)C=CC(C)N;PZPZCGZYTXBFOA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252318;MM252318;CC(=N)N(C=CF)C(N)=O;HICSJSQGMGQHHN-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252319;MM252319;C#CCC(=C)C=CC(F)F;PFESRJACRVTPSL-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252320;MM252320;C#CCC(=O)C=CC(C)C;NXUITXYPWRBAJR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252321;MM252321;C#CCC(=O)C=CC(C)F;BCXWOYDAQNOFTP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252322;MM252322;C#CCC(=C)C=NN(C)C;WFXZSRRYLUGXSJ-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252323;MM252323;CN(C)N=CC(CO)CO;DPIJZQXWUUOJFL-UHFFFAOYSA-N;146.19;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252324;MM252324;C#CCC(=O)N=CN(C)O;UURCFBBREYKARY-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252325;MM252325;C=C(C)C=CC(=C)CCC;NSQUYKJGLRGDSC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252326;MM252326;C=C(C=CC(C)=O)CCC;FLZLNQPLGBZKRN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252327;MM252327;C=C(C=CC(=N)N)CCC;RIYMZXFRWUYVIZ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252328;MM252328;C=C(C=CC(=N)N)CCF;VOLWKHYIIVUXSB-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252329;MM252329;C=C(C=CC(=O)O)CCC;NVHGXRAODZSYJV-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252330;MM252330;C=C(F)C=CC(=C)CCC;BGAYPUKPIHEHFS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252331;MM252331;C=C(F)C=CC(=C)CCN;XXUFJVCPTXTZPT-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252332;MM252332;C=C(C)C=CC(=O)CCC;MUAVGOPHONGVGG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252333;MM252333;CCCC(=O)C=CC(C)=O;ODMRHVXYUMJWDM-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252334;MM252334;CCCC(=O)C=CC(=N)N;WJJJLJNLXOJIAO-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252335;MM252335;N=C(N)C=CC(=O)CCO;HULVKYOGSJQJIE-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252336;MM252336;C=NNCCNC(=O)OC;QXJRRHDXQAFTHI-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252337;MM252337;CC(C)(C=O)C=CC(=O)O;LAPVBALGLWNNQH-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252338;MM252338;C=C(F)C=CC(=O)CCC;LPCOUZQETGKRQX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252339;MM252339;C=C(F)C=CC(=O)CCO;CJRKUGHQROXJTR-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252340;MM252340;C=C(C=CC(N)=O)CNC;STUZMFORQYFSIT-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252341;MM252341;C=C(F)C=CC(=C)CNC;TYXZREQNTRQPAF-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252342;MM252342;C=C(F)C=CC(=O)CNC;YYLCEOHBDWWHEH-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252343;MM252343;C=C(C=CC(=N)N)COC;JTYFHRFHLOKPDA-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252344;MM252344;CCN=C(N)C=CC(C)=O;DYYWNSFVKBDZTO-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252345;MM252345;CCNC(=O)C=CC(=N)N;HOUBOEVQKWOHGC-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252346;MM252346;C=NN(C)C(CO)CC#N;IMERXPVJSJBELG-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252347;MM252347;C=CC(C=O)C(C)C(=O)O;RPGGOUBGKRCWQR-UHFFFAOYSA-N;142.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252348;MM252348;C=NN(C)C(C=CC)CO;BLLKKVIEUKKHKE-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252349;MM252349;C#CC(C)=C(C=NN)CO;WUXAJBHZCPHDIC-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252350;MM252350;C=CCC(=C)C=CC(=C)C;MEXRYEATBKHFEV-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252351;MM252351;C=C(C=CC(=N)N)CC#N;NDPJJSYFOXWAPY-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252352;MM252352;C=NNC(CO)CCCO;KOHOIAAHWSOMPA-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252353;MM252353;C=CCC(=C)C=CC(=O)O;QDIPAMNENDBWCO-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252354;MM252354;CC(=CCC=O)CC(=O)O;DSLLTJAXDYXUOJ-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252355;MM252355;C=CCC(=C)C=CC(=C)F;IHZPGWFIHQZASM-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252356;MM252356;C=C(F)C=CC(=C)CC=O;JHUREEZYKKLZBP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252357;MM252357;C=CCC(=O)C=CC(=C)C;LJYUTJDQTHWIKV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252358;MM252358;C=CCC(=O)C=CC(C)=O;IIXARKZOJYYTFB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252359;MM252359;C=CCC(=O)C=CC(=N)N;MYKMPVAQFMXBBP-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252360;MM252360;CC=C(CC=O)CC(=O)O;KNHPBTPEHGFUGP-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252361;MM252361;C=CCC(CC=O)C(=O)O;YAGXZILQSUWGIX-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252362;MM252362;C=CCC(=O)C=CC(=C)F;DLDDTTKGHDTZEY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252363;MM252363;C=C(C)C=CC(=C)NC=N;TUGAFCZSTSWVJZ-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252364;MM252364;C=C(C=CC(C)=O)NC=O;WTKPATKLAAGPAU-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252365;MM252365;C=CNC(=N)C=CC(=C)C;GJFQGPAZXDTKNN-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252366;MM252366;C#CC=CC(CO)NN=C;RBTSPQSASBMSSS-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252367;MM252367;N=CNC(=N)C=CC(=N)N;DLRAABCZOUCPPZ-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252368;MM252368;CC(CC1C(C)C1O)=NN;QUCGURLBANTFEP-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252369;MM252369;C=CNC(=O)C=CC(=N)N;SRCKAFOZLXKELU-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252370;MM252370;C=CNC(=O)C=CC(N)=O;DYWVNHVXEFSOQB-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252371;MM252371;CNC(C#N)C(CO)CO;KWIUBDBGZORFQF-UHFFFAOYSA-N;144.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252372;MM252372;C=COC(=C)C=CC(C)=O;NZSITTPWJUKCQT-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252373;MM252373;C=C(C=CC(=N)N)OC=O;RNJUKDPNJBHNDI-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252374;MM252374;C=COC(=O)C=CC(C)=O;NWFWDLSAUBJIGW-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252375;MM252375;C=NOC(=O)C=CC(=N)N;JPORZLRBXLAZRP-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252376;MM252376;CCNN=CC(CO)CO;ONZUVQNFJFQBKG-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252377;MM252377;C#CCC(=C)C=CC(C)=O;MQBRHZPRWAJDGD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252378;MM252378;C#CCC(=C)C=CC(=N)N;BZKCCTCCZHKPLE-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252379;MM252379;C#CC(CO)C(=N)NN=C;MBJIUAFNHOUXJZ-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252380;MM252380;C#CCC(=C)C=CC(=O)O;HHIOLPOFQCDNKS-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252381;MM252381;C#CCC(=C)C=CC(=C)F;HVMIFUIRMYNYSR-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252382;MM252382;C#CCC(=O)C=CC(=C)C;WSOPJDLBPLUXCR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252383;MM252383;C#CCC(=O)C=CC(=N)N;FTUAPUUXRLROKY-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252384;MM252384;CCC(C#N)NC1CC1O;CJRFVYCRVMBRDA-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252385;MM252385;CC=CC(C)C=CC(C)C;LDDXQYLURBVDBL-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252386;MM252386;CC=CC(C)C=CC(C)N;DAISYRHXFUMXPL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252387;MM252387;CC(N)C=CC(C)C=CF;QZVQREYBCDBPBR-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252388;MM252388;C=CC(C#N)NC1CC1O;XVQLSIIYTKZZEK-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252389;MM252389;CC=CC(N)C=CC(C)C;USIKWPASZZNBAS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252390;MM252390;CC=CC(N)C=CC(C)O;QDLJMUPDNUAREV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252391;MM252391;CC(F)C=CC(N)C=CF;YQAOCUOYZQJFPO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252392;MM252392;C#CC(C=O)NC1CC1O;SMGOWEIKXQPMHK-UHFFFAOYSA-N;139.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252393;MM252393;CC=CC(O)C=CC(C)N;MUVDKBRXCWTJGB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252394;MM252394;CC(C)C=CC(C)C=NN;QKXHDVPDDRCMOY-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252395;MM252395;CC(F)C=CC(F)C=NN;NPGVYVJDQWYHJT-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252396;MM252396;CC(C=CF)C=NN(C)C;CBHSXPMSKGHMRB-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252397;MM252397;C#CC(C#N)NC1CC1O;OFJCLXVGLLCQIJ-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252398;MM252398;Nn1cc(CO)cnc1=O;SUSSXNYLAHGSJE-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252399;MM252399;CC#Cc1c[nH]c(N=N)c1;YFWHDHJGQIILOD-UHFFFAOYSA-N;133.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252400;MM252400;CN1CC2CC2(CO)C=N1;OOFMZSFFFKPXEO-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252401;MM252401;CC(=CC(=O)O)CCC=O;VRQMLKIIMWUCDZ-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252402;MM252402;CN=CN(C)C=CC(C)O;OVGAIKDPVCIHMX-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252403;MM252403;N#CC1(NC2CC2O)CC1;BZURJHVZUYJYAM-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252404;MM252404;CN=C1N=CC(CO)=C1C;AEURWGLDZPWSQC-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252405;MM252405;CC(N)C=CN(O)C=NO;LIMOWWIILOFQKS-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252406;MM252406;OCC(C=NN1CC1)CO;WQTPAPUCEWOGHP-UHFFFAOYSA-N;144.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252407;MM252407;CC(O)C=CN(O)C=NO;BAYQHDQYFJDXGP-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252408;MM252408;NN=C1OCC2(CO)CC12;JUSWUGRYVVICJT-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252409;MM252409;CC(F)C=CN(O)C=NO;ATWXBWPFZDNNLO-UHFFFAOYSA-N;148.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252410;MM252410;N=C1C=C(CO)C=N1;KCFNDVGVFOMLNO-UHFFFAOYSA-N;110.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252411;MM252411;ON=CN(O)C=CC(F)F;JIWXJJSJYPJKSH-UHFFFAOYSA-N;152.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252412;MM252412;CN1C(C#N)C1CO;PPSSBQOAUBIYPA-UHFFFAOYSA-N;112.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252413;MM252413;CN1C(CO)C1(C)C#N;UOKFFNWUBBIZGK-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252414;MM252414;CC(C)C=NN(C)C=NO;USEVROGTYPLKFW-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252415;MM252415;C#CC1(C)C(CO)N1C;ZMHNUWFMKNMLQX-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252416;MM252416;C=NOCC(CO)CO;LSUSJKNYUIVEDL-UHFFFAOYSA-N;133.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252417;MM252417;CC(F)C=NN(C)C=NO;NSXMSKWVGJBPLP-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252418;MM252418;CN(C)N=CN(N)C=CF;BDHXMNLWDGVRDW-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252419;MM252419;NN=CCC(=CF)CO;MDVBEFHJOAOBGM-UHFFFAOYSA-N;132.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252420;MM252420;CCC1(C#N)NC1CO;JJKRZITVUDSVEK-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252421;MM252421;CN=C1C=C(CO)C=N1;IBARIOIKXJWWJK-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252422;MM252422;OCCCN1CC1CO;XGJSIEWZIYQAEE-UHFFFAOYSA-N;131.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252423;MM252423;CN(C)N=CN(O)C=NO;RYPPAEUEIBKAGJ-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252424;MM252424;CON=CNCC(C)(C)O;TXDSWGYSGOULBL-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252425;MM252425;CC(C)(CO)C(CF)=NN;FMVQQJDGKXXJED-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252426;MM252426;C=C(CO)CN(N)C(N)=O;OQMDYUNGNKFRHX-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252427;MM252427;CC(=NN)OCOC(N)=O;DCXDSJXRUCPOQO-UHFFFAOYSA-N;147.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252428;MM252428;C=C(C)C=CC(C)C=CC;RKBDLWMUVRMUFI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252429;MM252429;CC=CC(C)C=CC(C)=O;LBOLNBQFWZEANA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252430;MM252430;CC(=O)C=CC(C)C=CF;XIEBNXJYWRZUIJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252431;MM252431;CC=CC(C)C=CC(=N)N;PXBORMOZZOHYEV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252432;MM252432;C=NN(CC(C)F)C(N)=O;FCBZGQSITVKONR-UHFFFAOYSA-N;147.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252433;MM252433;CNN=COCOC(N)=O;XGLZFBZKRBVXNY-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252434;MM252434;C=C(F)C=CC(N)C=CC;GKOFCVZWSVAZFU-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252435;MM252435;C=C(F)C=CC(N)C=CF;IFAMKNDDVWWOBH-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252436;MM252436;CNN=CCC(O)CCO;SVPATKFYAVGPOO-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252437;MM252437;N=C(N)C=CC(O)C=CF;PLZUEMXGOQGRQR-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252438;MM252438;CC=CC(O)C=CC(N)=O;VANLTTLYPSSYBT-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252439;MM252439;C=C(F)C=CC(O)C=CC;UVXSPONVHSPKQC-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252440;MM252440;CC(=O)C(C)=CCC(=O)O;YWOZTFIJZVXMQM-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252441;MM252441;N=C(N)C=CC(F)C=NN;YLLOTXWRUSFDAG-UHFFFAOYSA-N;144.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252442;MM252442;CNC(C#N)C(=O)N(C)C;MWOGUIRFWBABNJ-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252443;MM252443;N=C(N)C=CN(N)C=NN;QBCDWFLJOBSPGF-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252444;MM252444;C=NNCCC1(C)CC1O;KAYOSDRFNMOVNV-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252445;MM252445;C=NOCCC1(C)CC1O;UFBONCWRLZJFHG-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252446;MM252446;CNC(=O)OCC(C)=NN;GPCVOWWQYKAJHY-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252447;MM252447;N=C(N)C=CN(O)C=NN;VCTOURFDNUTBNQ-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252448;MM252448;N=C(N)C=CN(O)C=NO;IWDJQDTYBUOFIB-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252449;MM252449;CC(=O)NCC1(C#N)CN1;BJSUMWXMILLGHD-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252450;MM252450;NC(=O)C=CN(O)C=NO;BJLLYIDRSJSPRO-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252451;MM252451;CCOC(C)=CC(=O)O;RUEVMNPCGMUKPP-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252452;MM252452;CCC(=CC(=O)O)OC;MBODEVQNBSMXSO-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252453;MM252453;C=C(CO)C(F)=CC=NN;VWEGHHMUCJOLME-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252454;MM252454;C=C(F)C=CN(O)C=NO;YKVJQDCMIJHKLH-UHFFFAOYSA-N;146.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252455;MM252455;CNN=CCOC(=O)NC;KMQJYJBUINFYSL-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252456;MM252456;CC=CN(C)C=NC(=N)N;STHBLHRBHMIKPX-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252457;MM252457;CN(C=CF)C=NC(=N)N;PCZSESFHQBOHOW-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252458;MM252458;C=NOC1C(C)C1(C)CO;HLCGVUDAPGDKLC-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252459;MM252459;N=C(N)N=CN(N)C=CF;XWBUGNOKOVZEKN-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252460;MM252460;CC(=O)N=CN(O)C=CF;UUTYYPKFELCPML-UHFFFAOYSA-N;146.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252461;MM252461;CC=CN(O)C=NC(=N)N;BFSWBUOAOMZWQD-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252462;MM252462;N=C(N)N=CN(O)C=CF;MBPYLZMNXKIEOH-UHFFFAOYSA-N;146.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252463;MM252463;CC=CN(O)C=NC(N)=O;YHRIRSMQIBSHRD-UHFFFAOYSA-N;143.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252464;MM252464;CC(=O)N=CN(C)C=NO;VRZYQKRWMGCUAK-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252465;MM252465;C=C(CO)C(C=O)=NOC;SKHMXGZVXSDAIM-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252466;MM252466;NN=C(CCO)OCCO;DDZWRKYCPMHMBT-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252467;MM252467;N=C(N)N=CN(N)C=NN;YQTCBUAKAVSPLC-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252468;MM252468;N=C(N)N=CN(N)C=NO;AJPSOIWAGMDGPZ-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252469;MM252469;C=NNC(C=CC=O)CO;XLAGNACGALUKOD-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252470;MM252470;C#CC=C(C=NNC)CO;HMWXNFRYQFKZHL-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252471;MM252471;C#CC(=NN)C(C#C)CO;NXIPCVUTTDVMDE-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252472;MM252472;N=C(N)N=CN(O)C=NN;OPEYKJFKNDFOGM-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252473;MM252473;N=C(N)N=CN(O)C=NO;OGPYTJNTOGXFEW-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252474;MM252474;C=CC=NNC(C=C)CO;JGMVLQYEENZMHM-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252475;MM252475;NC(=O)N=CN(O)C=NO;DKNPHNKXPCIOHG-UHFFFAOYSA-N;146.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252476;MM252476;C#CC=NNC(C=C)CO;QHHGTBUPCYKVSG-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252477;MM252477;C=C(C)C=NN(C)C=NO;RWBMCEGEMQHJMG-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252478;MM252478;CC(=O)C=NN(C)C=NO;AGMUAMRXGKPAEY-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252479;MM252479;CN(C=NN)N=CC(=N)N;ANINZDNGZRCWIM-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252480;MM252480;NC=C(C=NOC=O)CO;XWBFQMSBVVECQV-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252481;MM252481;CN(C=NO)N=CC(N)=O;FPICYFSCZPYPPN-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252482;MM252482;C=COCCC(=O)O;XUKWFDWKURBTFK-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252483;MM252483;CC(CC(O)CF)C(=O)O;CNNATBGPRFNBQE-UHFFFAOYSA-N;150.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252484;MM252484;C=C(F)C=NN(C)C=NC;QWZQCBKZBMHZMC-UHFFFAOYSA-N;143.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252485;MM252485;CC=NN=CC(=CN)CO;TZALTWOAXXURKY-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252486;MM252486;C=C(C=CC)C=CC(C)C;LALIQFUNTNHGIW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252487;MM252487;CC=CC(=O)C=CC(C)C;JHXCSAQCTXPSFS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252488;MM252488;CC(C)C=CC(=O)C=CN;AEARMRJYWXGTFX-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252489;MM252489;CC=CC(=O)C=CC(C)O;PWLGDDGDANMKPF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252490;MM252490;CC(O)C=CC(=O)C=CN;ONNVZMHGLYVBCZ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252491;MM252491;CC=CC(=O)C=CC(C)F;BPRRZMNTWKZBQF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252492;MM252492;CC(O)C=CC(=O)C=NO;VMNRDIJAKHHIKE-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252493;MM252493;CC(F)C=CC(=O)C=NO;QWCCMPIMZQZTOA-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252494;MM252494;CC=CC(=O)C=CN(C)C;TUCVXYWVCHFOHL-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252495;MM252495;C=C(C=NO)C=NN(C)C;RKSDNCZQZIDECR-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252496;MM252496;CN(C)C=NC(=N)C=CN;WZENSVVCVHAKOF-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252497;MM252497;C=NOC1CC1(CC)CO;SDVUETFXBPQRSI-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252498;MM252498;CC#Cc1nc(NC)c[nH]1;OGZLZOAEACNARD-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252499;MM252499;CCN=C1C=C(CO)C=N1;UFUITZKSMCXLBQ-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252500;MM252500;N=CN=C1C=C(CO)C=N1;ULHGWFXSAPXAHV-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252501;MM252501;C#Cc1c[nH]c(N=NC)c1;HTBZQMATQLHMCD-UHFFFAOYSA-N;133.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252502;MM252502;CN(O)C=NC(=N)C=NO;DPRRHVIORLSJNN-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252503;MM252503;C=C(C)C=CC(=C)C=CC;SZJXIBWQMUCAEX-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252504;MM252504;C=C(C)C=CC(=O)C=CC;APAZZQBDODTYHK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252505;MM252505;C=C(C)C=CC(=O)C=CN;BUIASVJGNASWES-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252506;MM252506;C=C(C)C=CC(=O)C=CF;LMPTUZHZKXGYTA-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252507;MM252507;CC=CC(=O)C=CC(C)=O;YUICYKJDEAYVJJ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252508;MM252508;O=CN1NCC2(CO)CC12;OWWCJUICKXZLKX-UHFFFAOYSA-N;142.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252509;MM252509;C=C(F)C=CC(=O)C=CC;VBSOOVHSDPRALO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252510;MM252510;C=C(C)C=CC(=C)C=NN;ZBVQRSIUPFJDOO-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252511;MM252511;C=C(C=CC(N)=O)C=NO;XWPWDHAFTMGXSJ-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252512;MM252512;CC#CC(C)C=CC(C)C;CABYPLATBQAZJP-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252513;MM252513;CC#CC(N)C=CC(C)C;QJQNXQZADSKLJN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252514;MM252514;CC#CC(N)C=CC(C)F;DQXAVBFLEUAMNQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252515;MM252515;CC#CC(C)C=NN(C)C;YOTNKUCCWVADAY-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252516;MM252516;C=CC1(CO)CC1N1CC1;ZBEURDSCDXGFPD-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252517;MM252517;C=C(C)C=CC(C)C#CC;UWTCWQNNHMJKCF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252518;MM252518;CC#CC(C)C=CC(=N)N;IHDDSSKAITVUJN-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252519;MM252519;C=C(F)C=CC(N)C#CC;YQJWKYOMXZKLCK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252520;MM252520;CC#CC(O)C=CC(C)=O;HSFSEZQODBRSMQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252521;MM252521;C=C(C#CC)C=CC(C)C;RAAJVCHDYZWRMB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252522;MM252522;C=C(C#CC)C=CC(C)N;IBPAFMNYRMXPSK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252523;MM252523;N#CC1NC1CO;DOZOOXFTTIEJLY-UHFFFAOYSA-N;98.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252524;MM252524;C=C(C#CC)C=CC(C)F;PFZJUOMVQHZRFG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252525;MM252525;CC#CC(=O)C=CC(C)C;UAOVISSOTJNILX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252526;MM252526;CC#CC(=O)N=CN(C)C;HOUXPAPSFONBTI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252527;MM252527;CC#CC(=O)N=CN(C)N;NEQYDVGUASDHFR-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252528;MM252528;NN1C(=O)CC1CO;QHEYBQBHNQSQMA-UHFFFAOYSA-N;116.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252529;MM252529;C=C(C#CC)C=CC(=O)O;VTZAEKJWGAZNCF-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252530;MM252530;CCC=C(C)C=CC(C)C;YVSMILINVTWSHQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252531;MM252531;CC(C=CC(C)C)=CCN;ACDAJTFJHVKEGS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252532;MM252532;CCC=C(C)C=CC(C)N;WWHVNSIOISJJGH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252533;MM252533;CC(C=CC(C)N)=CCN;FVPXOMIDOYXPCI-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252534;MM252534;CCC=NOCCO;QRZQKEPIYSWQIS-UHFFFAOYSA-N;117.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252535;MM252535;CCC=C(C)C=CC(C)F;SUHTUHPYGZICBM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252536;MM252536;CC(C=CC(F)F)=CCN;HKRXOECIAPNMBY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252537;MM252537;CC(N)C=CC(F)=CCN;IPFAACIYZDQGGC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252538;MM252538;OCCON=CCF;MNXUVCZEQMXTPF-UHFFFAOYSA-N;121.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252539;MM252539;CCC=C(C)C=NN(C)C;UHUFOJGHDTWJFZ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252540;MM252540;CC(C=NN(C)C)=CCN;LJOXPDVOUVPVBU-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252541;MM252541;CN(C)N=CC(F)=CCN;WGQCXZKIAZUACK-UHFFFAOYSA-N;145.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252542;MM252542;O=CC=NOCCO;YOKWYRCIIHNZET-UHFFFAOYSA-N;117.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252543;MM252543;COC=C(C)C=NN(C)C;ZPHGALUEFLEANX-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252544;MM252544;COC=C(F)C=NN(C)C;HDQVCSZKRQCRTH-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252545;MM252545;CCN=C(C)N=CN(C)C;LOIXYFTXPDNGSQ-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252546;MM252546;C#CC1C(CO)N1C;PFEURAUYWUICBJ-UHFFFAOYSA-N;111.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252547;MM252547;C=CC=C(C)C=CC(C)C;MKNVVYKGENFOKV-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252548;MM252548;CC(C=CC(C)C)=CC=O;QXNFREUSXCIGBJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252549;MM252549;CC(C=CC(C)C)=CC#N;OBIPAGMZDFDUOO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252550;MM252550;CC(C)C=CC(N)=CC=O;JMPCUVPBULPPCN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252551;MM252551;CC(C)C=CC(N)=CC#N;KGKXYGYQLSZIKB-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252552;MM252552;CC(O)C=CC(N)=CC=O;AGMSYAOEFOGFOQ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252553;MM252553;CC(F)C=CC(N)=CC=O;RZSQHPGKUMFISN-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252554;MM252554;CC(C=NN(C)C)=CC#N;GMFFIYSTHBPDEF-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252555;MM252555;C=NN=C(C)C=NN(C)C;CWOQCGVEVSUZOO-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252556;MM252556;CN(C)C=NC(N)=CC=O;JRUMLOGVWPJDBA-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252557;MM252557;C=Cc1cn[nH]c1C;QGEHGFGGUJGSJQ-UHFFFAOYSA-N;108.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252558;MM252558;C=NN=C(C)N=CN(C)N;GTDAAUXMZYOXKG-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252559;MM252559;CC(=NN)C(C)(C)CO;OVQNMKILRUWJDE-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252560;MM252560;C#CC=C(C)C=CC(C)C;CHUXUOCCTSVCGN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252561;MM252561;C#CC=C(C)C=CC(C)F;LYLKPGQJVZICSJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252562;MM252562;C#CC=C(C)C=NN(C)C;HFXMJYUWCVUWGC-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252563;MM252563;C#CC=C(F)C=NN(C)C;YDDRUWSAIRNQMA-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252564;MM252564;C=C(C)C=CC(C)=CCC;SPVDPRHLBOFVEF-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252565;MM252565;CCC=C(C)C=CC(C)=O;HZUWJTWWSBWMGV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252566;MM252566;CCC=C(C)C=CC(=N)N;OLIIOVYQJCFNKB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252567;MM252567;CC(C=CC(=N)N)=CCO;KQUSCWMGAPRBGX-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252568;MM252568;CC(C=CC(N)=O)=CCN;IJGBDNAYQLOWRG-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252569;MM252569;CON=CC(C)(C)CO;UHCJBOLVRCPFHO-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252570;MM252570;CCC=C(C)C=CC(=O)O;IKYQRFXSIRKDDC-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252571;MM252571;C=C(F)C=CC(C)=CCC;DJVCROGALFPXKB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252572;MM252572;C=C(F)C=CC(C)=CCN;CAQORARCFAPABM-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252573;MM252573;CCC=C(F)C=CC(C)=O;VYFZMTMBPSYQEV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252574;MM252574;COC=C(F)C=CC(=N)N;WRTIKIAMJGQZIW-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252575;MM252575;CCC(C)(C=NN)CO;CBHJQULWKXQQES-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252576;MM252576;C=NN1CC(C)(CO)C1;SQXWXINMDBSFMY-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252577;MM252577;CC(CO)ONC(=O)CO;DDSJWRFOGRKHDM-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252578;MM252578;C=CC=C(C)C=CC(=C)C;FTNRKBQMQWFHPN-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252579;MM252579;C=CC=C(C)C=CC(C)=O;WCEZACNDBFTDBB-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252580;MM252580;CC(=O)C=CC(C)=CC#N;DOWWTMZOGJKTAE-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252581;MM252581;C=CC=C(C)C=CC(=N)N;JBUJDYRNBGWCEH-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252582;MM252582;C=C(C)C=CC(N)=CC#N;ZWPJSDVKEJBMQF-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252583;MM252583;N=C(N)C=CC(N)=CC=O;WAOVNJGSVVDBRU-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252584;MM252584;CON=CCOC(N)=O;MKZVNQUKPAAGHP-UHFFFAOYSA-N;132.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252585;MM252585;C=CC=C(F)C=CC(=C)C;YNPPJOIKXBWNLO-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252586;MM252586;C=CC=C(F)C=CC(C)=O;RDSZAJNJIRFVAB-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252587;MM252587;CC(=O)C=CC(F)=CC#N;IJLOLDCIEXDPTH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252588;MM252588;N#CC=C(F)C=CC(=N)N;MIRQYDAUXOPTCK-UHFFFAOYSA-N;139.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252589;MM252589;CC(C)C=NOCCO;JIFGUYSBEJBZLP-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252590;MM252590;CC(=O)C=NOCCO;JIAHMINLRFFVHX-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252591;MM252591;C#CC=C(C)C=CC(C)=O;WECXTPJSNRKMFM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252592;MM252592;C#CC=C(C)C=CC(=O)O;QQECRVFIMZGQFK-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252593;MM252593;C#CC=C(C)C=CC(=C)F;RIUFUXDVUAPTBJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252594;MM252594;C#CC=C(F)C=CC(C)=O;OJNGHUNCWJCGAY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252595;MM252595;C#CC=C(F)C=CC(=C)F;JHIPDKREOKLTBF-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252596;MM252596;CCCC(C)C#CC(C)C;NOOLFBWSXSMKGP-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252597;MM252597;CC(=NOCCO)NN;LGTJJMQTWIEEQQ-UHFFFAOYSA-N;133.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252598;MM252598;CC(C)C#CC(C)CCF;NQHBMDRNZFMZOW-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252599;MM252599;CC(N)C#CC(C)CCF;HZFZLSFBYWRYLI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252600;MM252600;CC(O)C#CC(C)CCN;BWZQZAGDTXSAOS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252601;MM252601;CC(O)C#CC(C)CCF;CVPLOZYVYFWJHI-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252602;MM252602;CCCC(C)C#CC(C)F;DZUQRVAMKMHYHJ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252603;MM252603;CC(F)C#CC(C)CCN;KWQPCZOQDKZXCT-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252604;MM252604;CC(F)C#CC(C)CCF;AHNQMBXZNHIPNU-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252605;MM252605;CCCC(C)C#CC(F)F;BJJNTVMEJSGKFE-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252606;MM252606;CC(C#CC(F)F)CCN;SVMKKNGCCXGPPB-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252607;MM252607;CC(C#CC(F)F)CCF;HDOHZPHPXCLJFK-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252608;MM252608;CCCC(N)C#CC(C)C;IAJZERWLAGDKDR-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252609;MM252609;CC(C)C#CC(N)CCN;DFHMLMBUFCRZOH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252610;MM252610;CCCC(N)C#CC(C)N;LTTRUXOCZAPPII-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252611;MM252611;CCCC(N)C#CC(C)O;VQSWNZDUSOOUMC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252612;MM252612;CCCC(N)C#CC(C)F;GULPIEKMNWNQKS-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252613;MM252613;CC(F)C#CC(N)CCN;FTZKVWBZPLJADW-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252614;MM252614;CCCC(N)C#CC(F)F;GKXSXSNQLMTHQB-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252615;MM252615;NC(C#CC(F)F)CCF;JTZQASARYWNFMT-UHFFFAOYSA-N;151.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252616;MM252616;CCCC(O)C#CC(C)C;VHUCWLADHHXGOI-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252617;MM252617;CC(C)C#CC(O)CCO;NKHICNKXQWMVNX-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252618;MM252618;CCCC(O)C#CC(C)N;OLWDYMUDXIKYTJ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252619;MM252619;CCCC(O)C#CC(C)F;RNAYOLWFMXOSEY-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252620;MM252620;CCCC(O)C#CC(F)F;AQFLZBHVKKVCME-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252621;MM252621;CC(C)C#CC(F)CCN;QKKSAVIQBVRHIY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252622;MM252622;CC(C)C#CC(F)CCF;RDNRZYAUTKHNMM-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252623;MM252623;CCCC(F)C#CC(C)N;RFIAHEARZTYTFY-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252624;MM252624;CC(N)C#CC(F)CCF;WVYGLXBUMNUDFC-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252625;MM252625;CC(F)C#CC(F)CCO;ALABTVIWSOOFBP-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252626;MM252626;CC(F)C#CC(F)CCF;YHBFKNZBXAZXKM-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252627;MM252627;FCCC(F)C#CC(F)F;AYHVPLUUNJHDRN-UHFFFAOYSA-N;154.11;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252628;MM252628;CNCC(C)C#CC(C)C;RMYWFBOWFMVCCF-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252629;MM252629;CNCC(C)C#CC(C)O;PWTBKWAALZXXOB-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252630;MM252630;CNCC(C)C#CC(F)F;VXKGLMVHDFHPQX-UHFFFAOYSA-N;147.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252631;MM252631;CNCC(N)C#CC(C)N;VEHYGOMAERQULA-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252632;MM252632;CNCC(N)C#CC(C)F;RYDPOPONBGWKKQ-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252633;MM252633;CNCC(O)C#CC(C)F;NANILGWFGKOXGQ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252634;MM252634;COCC(C)C#CC(C)N;AZHFIQFTLKHICV-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252635;MM252635;COCC(N)C#CC(C)N;MIQZRPZSIMYLNT-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252636;MM252636;COCC(O)C#CC(C)N;IOWVSDSMVIPEDS-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252637;MM252637;CCOC(C)C#CC(C)C;FXHHCRKJIVNPCA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252638;MM252638;CCOC(C)C#CC(C)N;OMAKVCUAJLJFGX-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252639;MM252639;CCOC(C)C#CC(C)O;UODKKXQNBIECJF-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252640;MM252640;CCOC(C)C#CC(C)F;BGDIXBIMDSTIPI-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252641;MM252641;CCOC(C)C#CC(F)F;IGXHNEADQPCVSU-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252642;MM252642;CC(C)C#CC(C)CC=O;KHXRLDHMMDVNFU-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252643;MM252643;CC(C)C#CC(C)CC#N;CYHUHEKSHCWTKI-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252644;MM252644;C=CCC(C)C#CC(C)N;QXAYOPNLPLEQKJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252645;MM252645;C=CCC(C)C#CC(C)O;BETWPXYWNINUDE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252646;MM252646;CC(O)C#CC(C)CC=O;DDLKKXWVYWXEHN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252647;MM252647;CC(O)C#CC(C)CC#N;SIFAUVJDVNCYQR-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252648;MM252648;C=CCC(C)C#CC(C)F;AXSVLTVUABDOAU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252649;MM252649;CC(F)C#CC(C)CC=O;YKXZBOSXCFOQOA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252650;MM252650;CC(F)C#CC(C)CC#N;CQNHWQCPTXGXHU-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252651;MM252651;C=CCC(C)C#CC(F)F;IFWBEFBYXFPBMN-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252652;MM252652;CC(C#CC(F)F)CC#N;RBTVCYABUQHXHE-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252653;MM252653;C=CCC(N)C#CC(C)C;WDEQRRWONPMAEK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252654;MM252654;C=CCC(N)C#CC(C)O;JFHCIRZPGOSSIE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252655;MM252655;C=CCC(N)C#CC(C)F;XSUAAOUGDLWKJF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252656;MM252656;C=CCC(N)C#CC(F)F;SBUTVOISGDOPNQ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252657;MM252657;C=CCC(O)C#CC(C)C;KTNRNJXOACODBL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252658;MM252658;C=CCC(O)C#CC(C)O;NKKFHRFQIUJVLD-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252659;MM252659;CC(F)C#CC(O)CC#N;LOXKQMLOSVNPFZ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252660;MM252660;C=CCC(O)C#CC(F)F;PWVWSYHDJTVGEN-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252661;MM252661;N#CCC(O)C#CC(F)F;BTOODOYINLQIQQ-UHFFFAOYSA-N;145.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252662;MM252662;C=CCC(F)C#CC(C)C;AKBYRUQUFLBDEA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252663;MM252663;CC(C)C#CC(F)CC=O;ZVWRIHLXGRGLSV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252664;MM252664;C=CCC(F)C#CC(C)N;HESJQYMHHWYUHQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252665;MM252665;C=CCC(F)C#CC(C)F;VTUCVRVCEBBJEK-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252666;MM252666;CC(F)C#CC(F)CC=O;FDFNZVZWGJHNDV-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252667;MM252667;CC(C)C#CC(C)NC=N;SJKMQKQANAKVRD-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252668;MM252668;CC(C)C#CC(C)NC=O;FLXJZWUHYSPPJV-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252669;MM252669;CC(N)C#CC(C)NC=N;DCFMFZSDAVPNAU-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252670;MM252670;CC(F)C#CC(C)NC=N;PZJYODHKYAVLIQ-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252671;MM252671;CC(C#CC(F)F)NC=O;USSJECCPRZCRDE-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252672;MM252672;C=CC(C)=NOCCO;RHDCSDMATJXEIC-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252673;MM252673;C=COC(C)C#CC(C)N;WSIAHBDQINBJPX-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252674;MM252674;C=COC(C)C#CC(C)O;SUCOIXHYJUPPQM-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252675;MM252675;CC(O)C#CC(C)OC=O;NBRUQVMEESZNFT-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252676;MM252676;C=COC(C)C#CC(C)F;DAAUILPCGCEORZ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252677;MM252677;C=COC(C)C#CC(F)F;QVICPXLHSNLEJP-UHFFFAOYSA-N;146.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252678;MM252678;C#CCC(C)C#CC(C)C;DEECZXMELVOIFD-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252679;MM252679;C#CCC(C)C#CC(C)N;JVQMNDPASAGEDH-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252680;MM252680;C#CCC(C)C#CC(C)F;MWFSAXDWONSKMS-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252681;MM252681;C#CCC(C)C#CC(F)F;UKNGXPVFGUJHNH-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252682;MM252682;C#CCC(N)C#CC(C)C;HRNRSQASCJAMGG-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252683;MM252683;C#CCC(N)C#CC(F)F;RMLGVXXEOZWOIV-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252684;MM252684;C#CCC(O)C#CC(C)F;AXRWAESBSGQASS-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252685;MM252685;C#CCC(O)C#CC(F)F;MQCBFBRRNKMJLT-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252686;MM252686;C#CCC(F)C#CC(F)F;NDYNASRMDDZGAH-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252687;MM252687;C=C(C)C#CC(C)CCC;XLKAFDMNADFVPU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252688;MM252688;C=C(C)C#CC(C)CCN;FVALZYFSLMVTNW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252689;MM252689;CCCC(C)C#CC(C)=O;BTJGVYPKHSJQSL-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252690;MM252690;CCCC(C)C#CC(=N)N;CBANULWSYLTMTA-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252691;MM252691;CC(C#CC(=N)N)CCO;DBFFLTHVXJPDOG-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252692;MM252692;CCCC(C)C#CC(N)=O;HAWMVKHVODAVNN-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252693;MM252693;CC(C#CC(N)=O)CCF;BTYMRQSEXKIZMK-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252694;MM252694;CCCC(C)C#CC(=O)O;WBVNDOOQDHCHOG-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252695;MM252695;CC(C#CC(=O)O)CCF;JJFTWMGQCNFQBQ-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252696;MM252696;C=C(F)C#CC(C)CCN;NNYLOBKDPNYXRB-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252697;MM252697;C=C(C)C#CC(N)CCC;MEXQWYQXUKGDEN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252698;MM252698;N=C(N)C#CC(N)CCN;YRBFBNYQRNDCBG-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252699;MM252699;CCCC(N)C#CC(N)=O;AUOHDLBYDYSQMR-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252700;MM252700;NCCC(N)C#CC(N)=O;GRNSFCMYXFYJDD-UHFFFAOYSA-N;141.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252701;MM252701;NC(=O)C#CC(N)CCF;VMMYLTBGOLLJKH-UHFFFAOYSA-N;144.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252702;MM252702;C=C(F)C#CC(N)CCN;HRHSYLBFMMNKSA-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252703;MM252703;C=C(C)C#CC(O)CCC;PUPKNSCXRRKLTR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252704;MM252704;CCCC(O)C#CC(C)=O;XBZUCPJXCDTFGU-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252705;MM252705;CCCC(O)C#CC(=N)N;UAZDCACONKKBGS-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252706;MM252706;CCCC(O)C#CC(N)=O;PXLVSDMIJHMVSB-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252707;MM252707;CC#CC#CC(C#N)=NO;SPIDSGDOIMGISD-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252708;MM252708;CCCC(F)C#CC(C)=O;OJDGSTMYFYQRRB-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252709;MM252709;CC(=O)C#CC(F)CCF;YJVIUWWOZVCIOD-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252710;MM252710;N=C(N)C#CC(F)CCN;NIUMTTHWVBLTRD-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252711;MM252711;CCCC(F)C#CC(N)=O;DKQGYULLQHYLGU-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252712;MM252712;NC(=O)C#CC(F)CCF;DWLUOKHSQFLMDR-UHFFFAOYSA-N;147.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252713;MM252713;O=C(O)C#CC(F)CCF;YIUOMNIAZZNBKR-UHFFFAOYSA-N;148.11;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252714;MM252714;C=C(F)C#CC(F)CCN;MKZYJXXSOBYGBB-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252715;MM252715;C=C(F)C#CC(F)CCF;ZGNAVVGGEPBWDV-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252716;MM252716;C=C(C)C#CC(C)CNC;HTJFLLVQLWAFOT-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252717;MM252717;CNCC(C)C#CC(C)=O;PBEAAZDMFNNJMJ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252718;MM252718;C=C(F)C#CC(C)CNC;WTIFNHXHYCYBRW-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252719;MM252719;C=C(C)C#CC(N)CNC;ZCMLBQBGQYEOOI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252720;MM252720;CNCC(N)C#CC(=N)N;ANXZOOYLNNREKQ-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252721;MM252721;CNCC(N)C#CC(N)=O;JUJHYOJSHPPJJA-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252722;MM252722;C=C(F)C#CC(N)CNC;ANLMOFHXGXMCLL-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252723;MM252723;COCC(C)C#CC(C)=O;HOJLVYNGWPRXSS-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252724;MM252724;COCC(O)C#CC(C)=O;BJKUBDJHTPUVAS-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252725;MM252725;Cc1onc(C=O)c1O;HXLORPQWZNSOAK-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252726;MM252726;COCC(F)C#CC(=N)N;MWBYYDFQKUDWNY-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252727;MM252727;COCC(F)C#CC(N)=O;SABDGUXECUGUAU-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252728;MM252728;CCNC(C)C#CC(=N)N;KJJRDGOVIMFMAM-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252729;MM252729;CCNC(C)C#CC(N)=O;HXNORSPOSQCHHI-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252730;MM252730;CCOC(C)C#CC(C)=O;HAPPPJVBGHZLNF-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252731;MM252731;CCOC(C)C#CC(N)=O;ZWBXECHAFAWSQK-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252732;MM252732;CNc1nnn[nH]1;LQICKCWPFRQEFI-UHFFFAOYSA-N;99.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252733;MM252733;C=CCC(C)C#CC(=C)C;IFRUJKKPFDRPPH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252734;MM252734;C=C(C)C#CC(C)CC=O;XCLNIKCAPUSTQQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252735;MM252735;C=C(C)C#CC(C)CC#N;DORCWSOQVQRYCL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252736;MM252736;C=CCC(C)C#CC(C)=O;JWZRMBPNKSNNGH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252737;MM252737;CC(=O)C#CC(C)CC=O;SQXICEHSWXAVSJ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252738;MM252738;CC(=O)C#CC(C)CC#N;GNRHPRZLVKOXGA-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252739;MM252739;C=CCC(C)C#CC(=O)O;KFDJXZYQCKNWEZ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252740;MM252740;Nc1c(O)n[nH]c1F;GHJOAHIAHUMSTC-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252741;MM252741;CC(C#CC(=O)O)CC#N;GZSAPULIKJZIQP-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252742;MM252742;C=C(F)C#CC(C)CC=O;IBMSPQAFHRGZOZ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252743;MM252743;C=C(F)C#CC(C)CC#N;NCLYYCCAPGAFQO-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252744;MM252744;C=CCC(N)C#CC(=C)C;BRVDJLMJWNNGEP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252745;MM252745;C=CCC(N)C#CC(=C)F;ALUUFTSJTRMARB-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252746;MM252746;C=CCC(O)C#CC(=C)C;NEGYMCOHZXTNKV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252747;MM252747;C=C(C)C#CC(O)CC#N;LPUNUXXWZGZAAF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252748;MM252748;CC(=O)C#CC(O)CC=O;PPHLLBDLZXQVDH-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252749;MM252749;CC(=O)C#CC(O)CC#N;VRUIWDVCSHYXCI-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252750;MM252750;N#CCC(O)C#CC(=N)N;GJOGZQAHNMFWFG-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252751;MM252751;N#CCC(O)C#CC(N)=O;SLLGYELFPMVQLD-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252752;MM252752;CCc1noc(O)c1C;FJYSVYLMNVARLF-UHFFFAOYSA-N;127.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252753;MM252753;C=CCC(O)C#CC(=C)F;BXTUMXBDTXBFHN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252754;MM252754;C=C(F)C#CC(O)CC#N;AVPJFQNNDWUNRM-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252755;MM252755;C=C(C)C#CC(F)CC=O;QQEVKXQQTAKFNI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252756;MM252756;C=CCC(F)C#CC(C)=O;FXWBJJTYWYBYAH-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252757;MM252757;CC(=O)C#CC(F)CC#N;NRZDVFFTZJOXSY-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252758;MM252758;C=CCC(F)C#CC(=N)N;SMCPYGJJUANHBZ-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252759;MM252759;C=CCC(F)C#CC(N)=O;BAFSHMJYFCZWSW-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252760;MM252760;NC(=O)C#CC(F)CC=O;YLJHTJVPWXKXRI-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252761;MM252761;N#CCC(F)C#CC(N)=O;UTIOQHIZBKITNN-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252762;MM252762;C=C(F)C#CC(F)CC=O;JIFPXDFGQXVYCM-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252763;MM252763;CC(C#CC(=N)N)NC=O;DNNKSGAEVPGICT-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252764;MM252764;CC(C#CC(N)=O)NC=O;UCPQHWLFRLZJAV-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252765;MM252765;Cn1oc(=N)nc(O)c1=O;NMGWAFFNVYHQSE-UHFFFAOYSA-N;143.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252766;MM252766;C=C(F)C#CC(C)NC=N;IIMXWJHVWBVKGP-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252767;MM252767;CC(C=O)=NOCCO;DXJYYABXBWUERL-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252768;MM252768;CNC(=O)N(N)CCO;WYSVWXWMDAAKAN-UHFFFAOYSA-N;133.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252769;MM252769;C=COC(C)C#CC(C)=O;LKVVNVOHGLIDHN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252770;MM252770;C=COC(C)C#CC(=N)N;ULEHDBGUTFNSLU-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252771;MM252771;CC(C#CC(=N)N)OC=O;GKPNERPANAZTSQ-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252772;MM252772;CCc1n[nH]c(=NN)o1;QIPOGBDLNBYVDF-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252773;MM252773;C=NOC1CC1(C)CO;DJTJOJDPBIPJLG-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252774;MM252774;C#CCC(C)C#CC(=C)C;BXKKIAPRPFHYJX-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252775;MM252775;C#CCC(C)C#CC(C)=O;RBWSLQJPTYOJSZ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252776;MM252776;C#CCC(C)C#CC(=C)F;KFBDGYVTCAQJAV-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252777;MM252777;C#CCC(N)C#CC(=C)C;FKXQGIRPJJDYPA-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252778;MM252778;C#CCC(N)C#CC(=C)F;FUODMYNGGITUJV-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252779;MM252779;C#CCC(O)C#CC(=C)C;PAAVSZGIUVOBII-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252780;MM252780;C#CCC(F)C#CC(C)=O;SCWJYRKXOJGLHV-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252781;MM252781;C=C(C#CC(C)C)CCC;GINOTDQZGVCUAM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252782;MM252782;C=C(C#CC(C)C)CCN;JYKDLDUAPASTRL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252783;MM252783;C=C(C#CC(C)C)CCF;ZXFDZYDRTMCJRJ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252784;MM252784;C=C(C#CC(C)N)CCC;DXKFKBHQACLJAZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252785;MM252785;C=C(C#CC(C)N)CCF;MRDYETONJZVBDF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252786;MM252786;C=C(C#CC(C)O)CCC;UDBSMYMYCRVHHX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252787;MM252787;C=C(C#CC(C)O)CCF;ZPFFBPBTZXVAGU-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252788;MM252788;C=C(C#CC(C)F)CCC;BUFNGXXBDMXZEM-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252789;MM252789;C=C(C#CC(C)F)CCN;PTSBXMBZGFOMAE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252790;MM252790;C=C(C#CC(C)F)CCF;RGWOUIFWANANSR-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252791;MM252791;C=C(C#CC(F)F)CCC;PPYIJGJIOIZXIJ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252792;MM252792;C=C(C#CC(F)F)CCN;OQTUKBHQFUTZJW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252793;MM252793;C=C(C#CC(F)F)CCF;BKMZFVUBZAQKKJ-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252794;MM252794;CCCC(=O)C#CC(C)C;RDSHVJYYNGZDOQ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252795;MM252795;CC(C)C#CC(=O)CCF;IOSMGEWIMUETSP-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252796;MM252796;CCCC(=O)C#CC(C)O;FQJQVXBSWATVHU-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252797;MM252797;CCCC(=O)C#CC(C)F;RZPFJVJIWQMRET-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252798;MM252798;CC(F)C#CC(=O)CCF;SKBLRIIAEIZYLC-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252799;MM252799;C=C(C#CC(C)C)CNC;GQBSOJKKFBFDHI-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252800;MM252800;C=C(C#CC(C)F)CNC;RUVFDQNUUAVPBK-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252801;MM252801;COCC(=O)C#CC(F)F;UOAWIXHGBUJZOQ-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252802;MM252802;CCNC(=N)C#CC(C)C;UXZHILUYVSOZMM-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252803;MM252803;CCNC(=N)C#CC(C)N;YUVXJFVJPKABQO-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252804;MM252804;CCNC(=N)C#CC(C)O;BLNHTEFIZAYXFP-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252805;MM252805;CCNC(=N)C#CC(C)F;QMHHJEUJBBBEEY-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252806;MM252806;CCNC(=N)C#CC(F)F;KZNHJWCDTQDGNL-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252807;MM252807;CCNC(=O)C#CC(C)O;HPMLUQHHUAPSLN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252808;MM252808;CNNC(=N)C#CC(C)N;XUDNSARYUCBSKL-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252809;MM252809;CNNC(=N)C#CC(C)O;ZPUSBQAJOLYFFL-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252810;MM252810;CNNC(=O)C#CC(C)N;FHNGDRDGIWQSDQ-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252811;MM252811;CNNC(=O)C#CC(C)F;BEZDJACNLUZORS-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252812;MM252812;CONC(=O)C#CC(C)O;ZUHACLNPEQYIMX-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252813;MM252813;C=C(C#CC(C)N)OCC;RGAGOIJAANEZAG-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252814;MM252814;C=C(C#CC(C)O)OCC;BJFYNJWZOSCMMH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252815;MM252815;C=CCC(=C)C#CC(C)C;IZKTUXIVIBRSMK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252816;MM252816;C=C(C#CC(C)C)CC=O;FMRQAWZSIFDILJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252817;MM252817;C=C(C#CC(C)C)CC#N;NLQKOVFHDOVRSJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252818;MM252818;C=CCC(=C)C#CC(C)N;DHTHYSDGQJIBOA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252819;MM252819;C=CCC(=C)C#CC(C)O;UFCZITCNARUHER-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252820;MM252820;C=C(C#CC(C)O)CC#N;WPTWNIUFHPWCEZ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252821;MM252821;C=CCC(=C)C#CC(C)F;QDAHZWNBWQYNLL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252822;MM252822;C=C(C#CC(C)F)CC=O;JGHOQZFMQZADPO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252823;MM252823;C=C(C#CC(C)F)CC#N;HRTKIYPFBXBAFF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252824;MM252824;C=CCC(=C)C#CC(F)F;UAGDCVPAQUEYGW-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252825;MM252825;C=C(C#CC(F)F)CC=O;UDROZXRVLONKSY-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252826;MM252826;C=C(C#CC(F)F)CC#N;FGSSYZTZXKRFAE-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252827;MM252827;C=CCC(=O)C#CC(C)C;DJPLHLPAZSGBIJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252828;MM252828;CC(O)C#CC(=O)CC#N;CBLNXLRAZZJXAM-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252829;MM252829;C=CCC(=O)C#CC(C)F;DXGZDWSNNKNTEJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252830;MM252830;C=CCC(=O)C#CC(F)F;VTFCPWFJJKHXPW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252831;MM252831;N#CCC(=O)C#CC(F)F;QGOKOWRQBOAVKS-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252832;MM252832;C=C(C#CC(C)C)NC=N;QCKTVQQXGCNLOC-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252833;MM252833;C=C(C#CC(C)C)NC=O;AXBQLJLWLYOHGR-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252834;MM252834;C=C(C#CC(F)F)NC=O;KVAZCZHDGXABGZ-UHFFFAOYSA-N;145.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252835;MM252835;C=CNC(=N)C#CC(C)C;CMVNXDFYXAHGFQ-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252836;MM252836;CC(C)C#CC(=N)NC=N;PGDWSGRMGHXZIV-UHFFFAOYSA-N;137.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252837;MM252837;CC(N)C#CC(=N)NC=O;FXRLTWGSDHBRAK-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252838;MM252838;C=CNC(=N)C#CC(C)F;STHNHXFMYCQRGB-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252839;MM252839;C=CNC(=O)C#CC(C)C;LFFQCKLGJIXADF-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252840;MM252840;CC(C)C#CC(=O)NC=O;ACDVMDWBYZAAOF-UHFFFAOYSA-N;139.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252841;MM252841;C=CNC(=O)C#CC(C)N;QVUXNGYOUHJSKY-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252842;MM252842;C=CNC(=O)C#CC(C)F;AUHYINUFNCTVEE-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252843;MM252843;N#Cc1onc(N)c1N;BCSFYFBSGMQNMJ-UHFFFAOYSA-N;124.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252844;MM252844;N#CCNC(CO)CF;DOZVYRPLCVEYBX-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252845;MM252845;C=COC(=C)C#CC(C)C;PTAURPBFZAXYFE-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252846;MM252846;C=COC(=C)C#CC(C)N;MKCILOQCPUQRBL-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252847;MM252847;C=COC(=C)C#CC(C)O;BCOKUMQOBPVPBG-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252848;MM252848;C=COC(=C)C#CC(C)F;MQETVWWUBUHUHK-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252849;MM252849;C=COC(=C)C#CC(F)F;LHOZTXAMUSYKKZ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252850;MM252850;C=COC(=O)C#CC(C)F;WPJUAOBUFYDPHV-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252851;MM252851;C=NOC(=O)C#CC(C)F;FIJLXWIBWATKFA-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252852;MM252852;C#CCC(=C)C#CC(C)C;DQRNBGXRHWSBHD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252853;MM252853;C#CCC(=C)C#CC(C)N;MHQQKROIDLZGOY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252854;MM252854;C#CCC(=C)C#CC(C)O;JDXVUUGTFSJQPO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252855;MM252855;C#CCC(=C)C#CC(C)F;OHOLMTZTASFOTI-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252856;MM252856;C#CCC(=C)C#CC(F)F;QCXYCRDTCPHYPB-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252857;MM252857;C#CCC(=O)C#CC(C)C;VINVHWRVSTVXKE-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252858;MM252858;C#CCC(=O)C#CC(F)F;BEBLOPXQQWISPI-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252859;MM252859;C=C(C)C#CC(=C)CCC;MUUHBZHCJUMZNP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252860;MM252860;C=C(C)C#CC(=C)CCN;HCRJPGUKHLFKQC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252861;MM252861;C=C(C#CC(C)=O)CCC;DWLYERCTNGFILQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252862;MM252862;C=C(C#CC(C)=O)CCF;DCBYUSHXJHJUPT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252863;MM252863;C=C(C#CC(N)=O)CCN;WSBMEXXDJPCREG-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252864;MM252864;C=C(C#CC(=O)O)CCC;FCUXLQYQHCINRM-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252865;MM252865;Cc1c(NN)noc1O;LZBQZTXMKVGFIC-UHFFFAOYSA-N;129.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252866;MM252866;C=C(F)C#CC(=C)CCC;UUKIVDICYALDIH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252867;MM252867;C=C(F)C#CC(=C)CCN;GJKJVFSWFJVAMO-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252868;MM252868;C=C(C)C#CC(=O)CCC;FKBXALPTJSQDGX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252869;MM252869;CCCC(=O)C#CC(C)=O;OIESDERMPLKFSK-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252870;MM252870;CC(=O)C#CC(=O)CCO;AOWIZQIZXJDLQC-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252871;MM252871;N=C(N)C#CC(=O)CCO;UAHHUKJWFRLJAC-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252872;MM252872;N=C(N)C#CC(=O)CCF;ZIFAWWWDDJNOOO-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252873;MM252873;NC(=O)C#CC(=O)CCO;NVHGRTUOTPMTGT-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252874;MM252874;CNN=CCC(=O)O;YFKDXSLJGDOJQY-UHFFFAOYSA-N;116.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252875;MM252875;C=C(C)C#CC(=C)CNC;OPFBUMVOOCSMJV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252876;MM252876;C=C(C#CC(=N)N)CNC;RJCSCQRUQCJROX-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252877;MM252877;C=C(C#CC(N)=O)CNC;UBQCKHZRSZLXGK-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252878;MM252878;C=C(F)C#CC(=C)CNC;AHKCZIYERXAGPQ-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252879;MM252879;CNCC(=O)C#CC(=N)N;ARQILRUNMRYULB-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252880;MM252880;C=C(C#CC(=N)N)COC;YOHWGKBIBPUGGR-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252881;MM252881;C=C(C)C#CC(=N)NCC;HBYDKOXHENGUCJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252882;MM252882;CCNC(=N)C#CC(=N)N;UHFHPWIVOQYPHR-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252883;MM252883;C=C(F)C#CC(=N)NCC;GPOBKAWQGCIJHF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252884;MM252884;CCNC(=O)C#CC(=N)N;KBLYBUWCRUWGAQ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252885;MM252885;CCNC(=O)C#CC(N)=O;MIJGDMSMSBIPNN-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252886;MM252886;C=C(F)C#CC(=O)NCC;GSXQREMOFDAVMH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252887;MM252887;C=C(C)C#CC(=N)NNC;KKMQYJFBOBGPRI-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252888;MM252888;C#CC1(CC)NC1CO;LBYHZYRLXNRMOE-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252889;MM252889;C=NOCC1(CO)CC1;PIPIRVHWCIHPTK-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252890;MM252890;CNNC(=O)C#CC(C)=O;OYZUKQTYWVJLBK-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252891;MM252891;CNNC(=O)C#CC(=N)N;DFYSTENSLWTBAD-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252892;MM252892;CNNC(=O)C#CC(N)=O;SQYDVQPSDBKBMB-UHFFFAOYSA-N;141.13;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252893;MM252893;C=C(F)C#CC(=O)NNC;SDOUCZRZCZGMAL-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252894;MM252894;NN=C1NC(CO)CO1;PTFSBZGJOSFSCR-UHFFFAOYSA-N;131.14;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252895;MM252895;N=c1nc(O)cnn1O;GSBPDHYRORITKS-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252896;MM252896;C=C(C#CC(=N)N)OCC;QDFHJGYPPRYMHQ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252897;MM252897;C=C(C#CC(N)=O)OCC;WVPUWNJTZTXKOP-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252898;MM252898;O=c1nn[nH]c(=O)o1;PZCUXKMBDAGYIG-UHFFFAOYSA-N;115.05;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252899;MM252899;CCOC(=O)C#CC(C)=O;NGLHQHAKQILQGD-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252900;MM252900;CCOC(=O)C#CC(N)=O;NNGYDHARWJNMNJ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252901;MM252901;C=CCC(=C)C#CC(=C)C;PDBXNGHVCNLGCY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252902;MM252902;C=C(C)C#CC(=C)CC=O;TWINZJYQULHYHL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252903;MM252903;C=C(C)C#CC(=C)CC#N;YQRIMUWKFKFPSM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252904;MM252904;C=CCC(=C)C#CC(C)=O;LLBTYJHKEYPEDL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252905;MM252905;C=C(C#CC(C)=O)CC=O;MSZLBBITGBGVJW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252906;MM252906;C=C(C#CC(C)=O)CC#N;QIAFJOJIALFQAJ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252907;MM252907;C=C(C#CC(=N)N)CC=O;BJNOTULIGPMOQB-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252908;MM252908;C=C(C#CC(N)=O)CC=O;WHCKSXUHAZAEBY-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252909;MM252909;C=C(C#CC(N)=O)CC#N;HRLFPVSDHDLIBL-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252910;MM252910;C=CCC(=C)C#CC(=O)O;RWIUAWLRDYOTJH-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252911;MM252911;C=CCC(=C)C#CC(=C)F;GSNXLBAXDJHJQR-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252912;MM252912;C=C(F)C#CC(=C)CC=O;QVNAKLVPOJWDJO-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252913;MM252913;C=C(F)C#CC(=C)CC#N;XOGRINGHBZZKRP-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252914;MM252914;C=CCC(=O)C#CC(=C)C;HSUNAHNSKLQVCY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252915;MM252915;C=CCC(=O)C#CC(C)=O;GIBWZMHBXPEUAC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252916;MM252916;C=CCC(=O)C#CC(=N)N;LZNRJIPOYVRQJW-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252917;MM252917;C=CCC(=O)C#CC(N)=O;ZYDBEWXKAMHVLK-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252918;MM252918;C=CCC(=O)C#CC(=C)F;SAADEWLPDVSXKU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252919;MM252919;C=C(C#CC(N)=O)NC=O;ATFFRVFUBQRXHJ-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252920;MM252920;C=C(F)C#CC(=C)NC=N;WNCQPWZUUKMBCO-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252921;MM252921;C=CNC(=N)C#CC(=C)C;GHENCCSWXGTDAW-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252922;MM252922;CC(=O)C#CC(=N)NC=O;KEUVBTLZCBAOLF-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252923;MM252923;N=C(C#CC(N)=O)NC=O;JTPQWCASJPOZLS-UHFFFAOYSA-N;139.11;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252924;MM252924;C=CNC(=N)C#CC(=C)F;RCKFHKIYXGUPDY-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252925;MM252925;C=CNC(=O)C#CC(=C)C;ISRIBIKQVWTGKA-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252926;MM252926;O=CN1C=CC(CO)N1;CUWALOUFGWQLPZ-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252927;MM252927;C=CNC(=O)C#CC(=N)N;PVXNOQCLTMVZLK-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252928;MM252928;N=C(N)C#CC(=O)NC=O;PSNCHLMOPBBLHK-UHFFFAOYSA-N;139.11;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252929;MM252929;C=CNC(=O)C#CC(N)=O;KJRDQWUNWRTKKF-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252930;MM252930;C=NNC=NOCCO;VIWCAHKGHBDUJJ-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252931;MM252931;NC(=O)C#CC(=O)NC=O;DNIUNWPQNOCRDQ-UHFFFAOYSA-N;140.1;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252932;MM252932;CC(=CC(=O)O)C(C)C=O;LEDRSSMJZANEIA-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252933;MM252933;C=CNC(=O)C#CC(=C)F;DLYWUWCZKIFJOO-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252934;MM252934;C=C(F)C#CC(=O)NC=O;JEBPARLVABXXPN-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252935;MM252935;C=CCC=NOCCO;AKBPUIDHVLVXJZ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252936;MM252936;C=NNC(=O)C#CC(=C)F;KRYCKAFGFGSBPF-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252937;MM252937;C=COC(=C)C#CC(=C)C;ALGMCEDYYXPGOT-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252938;MM252938;C=COC(=C)C#CC(C)=O;BFBWUZZMTOMAJN-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252939;MM252939;C=COC(=C)C#CC(N)=O;GTGCWYNWQPZQCW-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252940;MM252940;CCC(=CC(=O)O)CC=O;MISYRDBDKFFXTA-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252941;MM252941;C#CCC(=C)C#CC(=C)C;HDIUKXSXBPAINT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252942;MM252942;C#CCC(=C)C#CC(C)=O;PKUBHUFEDAICDN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252943;MM252943;C#CCC(=C)C#CC(=N)N;LJKPTSGTCGCSAZ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252944;MM252944;C#CCC(=C)C#CC(N)=O;BDJVFWKQUTWVRE-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252945;MM252945;C#CCC(=C)C#CC(=O)O;FUANWISDANUDBL-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252946;MM252946;C#CCC(=C)C#CC(=C)F;DSDAZTODEYWUFQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252947;MM252947;C#CCC(=O)C#CC(=C)C;XTXYVSGJLGFCOQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252948;MM252948;C#CCC(=O)C#CC(N)=O;KRJZOARROBGKKM-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252949;MM252949;C#CCC(=O)C#CC(=C)F;MZHYSNMQDMTILB-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252950;MM252950;CC=CC(C)C#CC(C)C;QYFYLQIOKFUGDO-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252951;MM252951;CC=CC(C)C#CC(C)N;SPUVUOSOGMMFAW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252952;MM252952;CC(N)C#CC(C)C=CF;AWENXZDLPOEHMA-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252953;MM252953;CC=CC(C)C#CC(C)O;QSJRAPMXMZOVEZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252954;MM252954;CC(O)C#CC(C)C=CF;VGPRCIWVVZFCLW-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252955;MM252955;CC=CC(C)C#CC(C)F;IEMPWLCUGMBTKZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252956;MM252956;CC(F)C#CC(C)C=CF;SCAINHZNNHHKDU-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252957;MM252957;CC=CC(C)C#CC(F)F;GGMXHYSEORJTRV-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252958;MM252958;CC(C#CC(F)F)C=CF;KDTJALJPTBMNNR-UHFFFAOYSA-N;148.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252959;MM252959;CC=CC(N)C#CC(C)C;NKDBFQWVZHFYTL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252960;MM252960;CC=CC(N)C#CC(C)F;DYFORUQPHFBPAP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252961;MM252961;CC=CC(O)C#CC(C)C;JTVBXHXENSQZTQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252962;MM252962;CC=CC(O)C#CC(C)F;NIXYRFVZJMRJGY-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252963;MM252963;CC=CC(O)C#CC(F)F;XEXOPUJGLAVTPG-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252964;MM252964;CC=CC(F)C#CC(C)F;OUGISOPYCSDIGN-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252965;MM252965;CC(F)C#CC(F)C=CF;HKEHOBSRTVKHJS-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252966;MM252966;CC(C)C#CC(C)C=NN;MPHLSTHLQJGFQN-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252967;MM252967;CC(F)C#CC(C)C=NN;USQJWZTUEHRDOI-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252968;MM252968;CC(F)C#CC(C)C=NO;PSXMJIYFTBVYSX-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252969;MM252969;Nc1[nH]c(=O)c(=O)[nH]c1F;XCVOSPBXFMLOQU-UHFFFAOYSA-N;145.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252970;MM252970;CC=C(CC(=O)O)C(C)=O;NBPYLYJXXNEXMB-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252971;MM252971;C=C(C)C#CC(C)C=CC;RGABOZVYQUPADD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252972;MM252972;C=C(C)C#CC(C)C=CF;RZNKCVVVZXZLOF-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252973;MM252973;CC=CC(C)C#CC(C)=O;MOUAJTIZHAPXPD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252974;MM252974;CC(=O)C#CC(C)C=CF;HIPQGXVSWDMYTR-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252975;MM252975;CC=CC(C)C#CC(=N)N;XOBOKRWGYYVIHL-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252976;MM252976;CC(C#CC(N)=O)C=CF;JOWIZKVIFSWWHO-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252977;MM252977;CC=CC(C)C#CC(=O)O;TWFHLADIQBBUFC-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252978;MM252978;C=C(F)C#CC(C)C=CC;FUXMMEFDEQCKFP-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252979;MM252979;C=C(C)C#CC(N)C=CC;MWDGKUMUJHKECO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252980;MM252980;C=C(C)C#CC(O)C=CC;BDXCPGJSOLAGTN-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252981;MM252981;CC=CC(O)C#CC(C)=O;YMOLZLWYQHOBGC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252982;MM252982;N=C(N)C#CC(O)C=CF;VSIYPMVXBOICBT-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252983;MM252983;CC=CC(O)C#CC(N)=O;BHEKYXIUYQIMRY-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252984;MM252984;N=C(N)C#CC(F)C=CF;HVPJJLIHEKHOSB-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252985;MM252985;C=C(C)C#CC(C)C=NN;DTGOQGYAPBRBON-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252986;MM252986;C=C(C)C#CC(C)C=NO;QWVGMDUMIRXSFK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252987;MM252987;CC(C#CC(=N)N)C=NN;KGTSMCPHOICHDT-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252988;MM252988;CC(C#CC(=N)N)C=NO;TWWLQYLNUITEDW-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252989;MM252989;C=CNC=NOCCO;LALNILAMAUDXSW-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252990;MM252990;N=C(N)C#CC(F)C=NN;VISNXRJUYLDDGI-UHFFFAOYSA-N;142.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252991;MM252991;CCOCC(=O)NOC;BLWGTXWBSDFEQY-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252992;MM252992;C=C(C#CC(C)C)C=CC;GIYCKBPMSKZSDN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252993;MM252993;C=C(C#CC(C)C)C=CF;IBQMJWCAJHUIJT-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252994;MM252994;C=C(C#CC(C)N)C=CC;SELNNUWESKNEST-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252995;MM252995;C=C(C#CC(C)O)C=CC;OMOCDDZDQSXARI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252996;MM252996;C=C(C#CC(C)F)C=CC;KMDAHDMRTUMWQB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252997;MM252997;C=C(C#CC(F)F)C=CC;NPHOXSYIMMXBTN-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252998;MM252998;CC(C)C#CC(=O)C=CN;PEKLUSSZSXWWEL-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM252999;MM252999;CC(O)C#CC(=O)C=CN;NUJBSYRKNKMKIY-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253000;MM253000;NC=CC(=O)C#CC(F)F;UJJGSYRAFHCCDI-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253001;MM253001;C=C(C#CC(C)C)C=NN;CWYCURZSVAKGTE-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253002;MM253002;C=C(C#CC(C)C)C=NO;FOAPIBZYGNVOCM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253003;MM253003;C=C(C#CC(C)F)C=NN;FWQBAICHTALKGM-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253004;MM253004;O=COC=NOCCO;HSTXHBKDLOLYSM-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253005;MM253005;C=C(C)C#CC(=C)C=CC;SMRLUJQXJUTXLO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253006;MM253006;C=C(C#CC(C)=O)C=CC;YQZJWWUIEOSPRR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253007;MM253007;C=C(C#CC(=O)O)C=CC;JXVAIYZPNNYZGR-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253008;MM253008;C=C(F)C#CC(=C)C=CC;RUVMAWZDSKZGHB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253009;MM253009;C=C(C)C#CC(=O)C=CC;YIEGEUNTFWEMSD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253010;MM253010;CC=CC(=O)C#CC(C)=O;YQNCIVAMICKLIH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253011;MM253011;N=C(N)C#CC(=O)C=CN;MCFMGSZDNJQEQN-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253012;MM253012;C=C(C)C#CC(=C)C=NN;PZKLTNGQTSRZDA-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253013;MM253013;C=C(C)C#CC(=C)C=NO;BZVLBALWQPJWIP-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253014;MM253014;C=C(C#CC(=N)N)C=NN;GKBBSVLJJGNUFU-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253015;MM253015;OCCON=CC=CF;AYRJRBYDAPRKKC-UHFFFAOYSA-N;133.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253016;MM253016;C=C(C#CC(N)=O)C=NO;FVHSIKXMJXJLJU-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253017;MM253017;CC(CC(F)CO)C(=O)O;MKUWLOQEODWGDK-UHFFFAOYSA-N;150.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253018;MM253018;Nc1c(F)oc(F)c1O;NSSQSJVUJIAYHN-UHFFFAOYSA-N;135.07;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253019;MM253019;CC#CC(C)C#CC(C)C;PRIPMFIONMHNTK-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253020;MM253020;CC#CC(C)C#CC(C)N;NGZMFUSVPAKXLG-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253021;MM253021;CC#CC(C)C#CC(C)F;RWWBDYXAYSQWPM-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253022;MM253022;CC#CC(C)C#CC(F)F;WOIGDROSIULCGC-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253023;MM253023;CC#CC(F)C#CC(C)O;NUPRIRABIPZEAG-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253024;MM253024;C=C(C)C#CC(C)C#CC;AGGURORBTWZKSP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253025;MM253025;CC#CC(C)C#CC(C)=O;MOVVTOSQSDIAHL-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253026;MM253026;CC#CC(C)C#CC(=N)N;QOBXLGVSNJRKFY-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253027;MM253027;CC#CC(C)C#CC(N)=O;ZHDVTRQISOCKOM-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253028;MM253028;CC#CC(C)C#CC(=O)O;HZHSDFXKIZPNOW-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253029;MM253029;C=C(F)C#CC(C)C#CC;RQLLUUCWISWTRW-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253030;MM253030;CC#CC(N)C#CC(=N)N;SDZYSISFPYWPQK-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253031;MM253031;C=C(C)C#CC(O)C#CC;KXVHJFMMUAAVKA-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253032;MM253032;CC#CC(O)C#CC(C)=O;NARQITOKLBZLRZ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253033;MM253033;CC#CC(F)C#CC(C)=O;IUTNTPSMRPPDSK-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253034;MM253034;CC#CC(F)C#CC(=N)N;WQMAHFUFYFYWSV-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253035;MM253035;CC#CC(F)C#CC(N)=O;PXGMZYPWDDWYDU-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253036;MM253036;C=C(C#CC)C#CC(C)C;IYFPENRJGPCYGA-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253037;MM253037;C=C(C#CC)C#CC(C)N;VFIYCAZENIHZQI-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253038;MM253038;C=C(C#CC)C#CC(C)O;BVMZUBUDWUHVPP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253039;MM253039;C=C(C#CC)C#CC(C)F;SKPUEEITJGCKQC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253040;MM253040;C=C(C#CC)C#CC(F)F;KQVHTCFEWOSUMW-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253041;MM253041;CC#CC(=O)C#CC(C)C;NOBGLUBMDHVNGN-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253042;MM253042;CC#CC(=O)C#CC(C)F;IDCDOULNUJDWLQ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253043;MM253043;CC#CC(=O)C#CC(F)F;JVEMJOBTTGLZQM-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253044;MM253044;C=C(C)C#CC(=C)C#CC;LHKVKMPWLQEMIS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253045;MM253045;C=C(C#CC)C#CC(C)=O;JGCUZZBYXSXUNT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253046;MM253046;C=C(C#CC)C#CC(=N)N;VSEWDDLRSKTTGX-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253047;MM253047;C=C(C#CC)C#CC(N)=O;BRALOAPRUJJTKY-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253048;MM253048;C=C(C#CC)C#CC(=O)O;NJIKOAPTSWVBAU-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253049;MM253049;C=C(F)C#CC(=C)C#CC;ZBVSQXZMOZKNDQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253050;MM253050;C=C(C)C#CC(=O)C#CC;WKHQEKVRVJVGRT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253051;MM253051;CC#CC(=O)C#CC(C)=O;VCJCHPQIZBEZDK-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253052;MM253052;CC#CC(=O)C#CC(N)=O;HKYKHMPMPBVWEI-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253053;MM253053;NC(=O)C(=O)NOCCO;VQYKQYYXHRUFQX-UHFFFAOYSA-N;148.12;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253054;MM253054;CCC=C(C)C#CC(C)C;BNHNUYWKVMPOSV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253055;MM253055;CC(C#CC(C)C)=CCN;SQCMUOASCIEHFX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253056;MM253056;CCC=C(C)C#CC(C)N;RFJLPICJBQCNKP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253057;MM253057;CCC=C(C)C#CC(C)O;FXDFCLOWTQPWJW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253058;MM253058;CCC=C(C)C#CC(C)F;MUQQTUVKIZXAGR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253059;MM253059;CCC=C(C)C#CC(F)F;SOJPLVJNYBKFHH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253060;MM253060;CC(C#CC(F)F)=CCN;QMUZSTVJKXGSQK-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253061;MM253061;CC(F)C#CC(F)=CCN;ZINHAXWMKRYIEK-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253062;MM253062;COC=C(F)C#CC(C)N;OJPJLTOLMXCHCP-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253063;MM253063;COC=C(F)C#CC(C)O;FZILNDJEXIKWHA-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253064;MM253064;CON=C(C)C#CC(C)C;ICYYXRDLCNUTAS-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253065;MM253065;CON=C(C)C#CC(C)F;OMUZRPSZWZRHJY-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253066;MM253066;NN=CC=NOCCO;PCYVFXFEVAFLFF-UHFFFAOYSA-N;131.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253067;MM253067;C=CC=C(C)C#CC(C)C;VUSFYBHBRZGMHS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253068;MM253068;CC(C#CC(C)C)=CC=O;HOPHACDYIRMKKK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253069;MM253069;CC(C#CC(C)C)=CC#N;MPRSONRBBXPRLP-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253070;MM253070;C=CC=C(C)C#CC(C)N;NDTUBSUNTHVMLF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253071;MM253071;C=CC=C(C)C#CC(C)O;CYUVGSRCUQYWBP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253072;MM253072;C=CC=C(C)C#CC(C)F;WZZUKEUJGHAMRK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253073;MM253073;CC(C#CC(C)F)=CC=O;WRSGSLCWTIHTDP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253074;MM253074;CC(C#CC(C)F)=CC#N;QYCQZLGMAHRHPO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253075;MM253075;C=CC=C(C)C#CC(F)F;REWXXWXKHPOIBY-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253076;MM253076;CC(C#CC(F)F)=CC=O;RCGMEOPZNXBLST-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253077;MM253077;CC(C#CC(F)F)=CC#N;FSBHFPTZAISIGQ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253078;MM253078;CC(C)C#CC(N)=CC=O;FKLAZBINFQLJMV-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253079;MM253079;CC(C)C#CC(N)=CC#N;MOYVZNGJDGCONK-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253080;MM253080;CC(F)C#CC(N)=CC=O;OJAXLBOUWYQNIO-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253081;MM253081;CC(F)C#CC(N)=CC#N;XMKRIVNNJKRMCT-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253082;MM253082;NC(C#CC(F)F)=CC=O;AMJXFMJYJZJDLO-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253083;MM253083;OCCON=CC1CN1;MOPQWDHXKZOAOJ-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253084;MM253084;C=CC=C(F)C#CC(C)C;IBZLLZOVGUUYCS-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253085;MM253085;CC(C)C#CC(F)=CC=O;VAQGQOYSVMCVLP-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253086;MM253086;O=CC=C(F)C#CC(F)F;UKZRYQAJBKLSRY-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253087;MM253087;N#CC=C(F)C#CC(F)F;NLCNYTGMISBOGL-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253088;MM253088;C=NN=C(C)C#CC(C)O;JUKAFPMNMZNJJX-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253089;MM253089;C=NN=C(C)C#CC(F)F;ZGFLXYYEEJYANP-UHFFFAOYSA-N;144.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253090;MM253090;C#CC=C(C)C#CC(C)C;LCEXRJQIZVPNBU-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253091;MM253091;C#CC=C(C)C#CC(C)N;MVBZRPKPWDZLPG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253092;MM253092;C#CC=C(C)C#CC(C)O;KHIPKBMXLLFFPG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253093;MM253093;C#CC=C(C)C#CC(C)F;MJISBWOZVFEKSS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253094;MM253094;C#CC=C(C)C#CC(F)F;XNMPNLSIUGXZAK-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253095;MM253095;C#CC=C(F)C#CC(C)C;WNQZFVLNSJHKIB-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253096;MM253096;C#CC=C(F)C#CC(C)N;GYWABPWDASMCKK-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253097;MM253097;C#CC=C(F)C#CC(C)O;NICAHQNZYNCQFK-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253098;MM253098;C#CC=C(F)C#CC(F)F;OVNMSHTVQFLDRC-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253099;MM253099;C=C(C)C#CC(C)=CCC;DZRPUAPWPQTFLK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253100;MM253100;C=C(C)C#CC(C)=CCN;WIKVQQDRLWLQHL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253101;MM253101;C=C(C)C#CC(C)=CCF;VCVHMVCOMMCCEQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253102;MM253102;CCC=C(C)C#CC(C)=O;XLHDIDFGSSHERI-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253103;MM253103;CC(=O)C#CC(C)=CCF;QFKFIJXHWKIWDI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253104;MM253104;CCC=C(C)C#CC(=N)N;RFZBICUHXFWZOK-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253105;MM253105;CCC=C(C)C#CC(N)=O;HLZGVZXAWKRSOM-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253106;MM253106;CCC=C(C)C#CC(=O)O;QAQIMOLKFRBYKM-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253107;MM253107;CCC=C(F)C#CC(=N)N;XJZRFUMMFPSRAZ-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253108;MM253108;N=C(N)C#CC(F)=CCN;WNXKZLLQKCRTIQ-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253109;MM253109;N=C(N)C#CC(F)=CCO;SNYKYMWOGSZCSC-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253110;MM253110;NCC=C(F)C#CC(N)=O;LRUNOOXBULSEAP-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253111;MM253111;NC(=O)C#CC(F)=CCF;MRMUWPHDGVNNBQ-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Oxybate;MM17381;O=C(O)CCCO;SJZRECIVHVDYJC-UHFFFAOYSA-N;104.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253112;MM253112;COC=C(F)C#CC(N)=O;WNOWOWINHBGTAV-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253113;MM253113;CC(=O)C(CF)=NO;VUHHXOPAODTFGB-UHFFFAOYSA-N;119.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253114;MM253114;C=C(C)C#CC(C)=NOC;WSXMZAIELMRNOH-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253115;MM253115;CC(C)(C)C=NOCCO;NYIBAYFJDLHSIG-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253116;MM253116;CON=C(C)C#CC(=N)N;LFANYTJXBLAEGL-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253117;MM253117;CCON=CC(C)(C)CO;QCIGTGIUQJIXAM-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253118;MM253118;C=CC=C(C)C#CC(=C)C;PVKJWDLUCSKKLW-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253119;MM253119;C=C(C)C#CC(C)=CC=O;ZSOVFBSHIOBAOB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253120;MM253120;C=C(C)C#CC(C)=CC#N;GDTZTIXVYDTFGF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253121;MM253121;C=CC=C(C)C#CC(C)=O;UUXVZZDLNACICW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253122;MM253122;CC(=O)C#CC(C)=CC=O;YNIXJMBBSCXYFB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253123;MM253123;CC(=O)C#CC(C)=CC#N;GAXGFJAQDJXWSI-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253124;MM253124;CC(C#CC(=N)N)=CC=O;LFGFMCKVNYKZEJ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253125;MM253125;CC(C#CC(=N)N)=CC#N;KLESTHFJMFCYCN-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253126;MM253126;CC(C#CC(N)=O)=CC=O;RXUJMMPQOXKZSE-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253127;MM253127;C=CC=C(C)C#CC(=O)O;NETAWEZKWIUIBS-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253128;MM253128;CC(C#CC(=O)O)=CC#N;GGOCDXGLCJAKCI-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253129;MM253129;C=C(F)C#CC(C)=CC#N;MNIWKXUVHUMVPJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253130;MM253130;C=C(C)C#CC(N)=CC=O;RCARWYFXTFMNJI-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253131;MM253131;C=C(C)C#CC(N)=CC#N;ZMEFHWNVAMIKAA-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253132;MM253132;N=C(N)C#CC(N)=CC=O;LTTYTNBZVWWPAM-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253133;MM253133;N#CC=C(N)C#CC(=N)N;FHLBBJFJYNNRQI-UHFFFAOYSA-N;134.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253134;MM253134;NC(=O)C#CC(N)=CC=O;GCCZUWXXZTVLBY-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253135;MM253135;CC(C)(C=NOC=O)CO;XBTXFGJBAMWYKU-UHFFFAOYSA-N;145.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253136;MM253136;CC(F)C(C=O)=NO;QXKMEPFKGAZUHB-UHFFFAOYSA-N;119.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253137;MM253137;C=C(F)C#CC(N)=CC#N;RPFGUTMSGZXNNB-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253138;MM253138;C=CC=C(F)C#CC(=C)C;BWMDGTKTCHVKFI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253139;MM253139;CC(=O)C#CC(F)=CC=O;HQFQPEKWZRRFLS-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253140;MM253140;CC(=O)C#CC(F)=CC#N;ZTXYYVYRGDMQLB-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253141;MM253141;C=CC=C(F)C#CC(=N)N;JKWQAZRGDZUFJE-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253142;MM253142;N#CC=C(F)C#CC(=N)N;UHVYZYLRNVAZGN-UHFFFAOYSA-N;137.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253143;MM253143;C=CC=C(F)C#CC(N)=O;WYQSWXICKITWBL-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253144;MM253144;N#CC=C(F)C#CC(=O)O;COVKBFKWWBKVBP-UHFFFAOYSA-N;139.09;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253145;MM253145;C=NN=C(C)C#CC(=C)C;HHRYPLDJZJAHKH-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253146;MM253146;C=NN=C(C)C#CC(N)=O;MUJBTDFPGIEUGK-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253147;MM253147;C#CC=C(C)C#CC(=C)C;NWFKLWRBHAFKFS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253148;MM253148;C#CC=C(C)C#CC(C)=O;MFMRYJURQSUWHL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253149;MM253149;C#CC=C(C)C#CC(=N)N;JYJVZNNORDJNJM-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253150;MM253150;C#CC=C(C)C#CC(=O)O;LBTWJWXKUMSBFC-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253151;MM253151;C#CC=C(C)C#CC(=C)F;XESYVINHECAWMP-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253152;MM253152;C#CC=C(F)C#CC(C)=O;XXCIXCFYRIAMCN-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253153;MM253153;C#CC=C(F)C#CC(=N)N;AJYVQVVMLYRAPY-UHFFFAOYSA-N;136.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253154;MM253154;C#CC=C(F)C#CC(N)=O;PBJBCZZPALDBAI-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253155;MM253155;C#CC=C(F)C#CC(=O)O;JVUYBCHLAJIVQL-UHFFFAOYSA-N;138.1;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253156;MM253156;CCCC(C)CC=C(C)C;OJMYKSVNVGQBRZ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253157;MM253157;CC(F)=CCC(C)CCN;JWTNAVXSOOXZFG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253158;MM253158;CC(C)=CCC(N)CCO;ALGRSWKZYXANBH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253159;MM253159;CC(F)=CCC(N)CCN;MPVUZIZUHXUMBQ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253160;MM253160;CC(F)=CCC(N)CCF;VEUVKVBUYITTAJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253161;MM253161;NCCC(N)CC=C(F)F;NVZLIYGSXGSDOU-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253162;MM253162;CC(F)C=NN(C)C(N)=O;JDHQVCPKFDWWJV-UHFFFAOYSA-N;147.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253163;MM253163;CCCC(O)CC=C(C)F;JGUXMDPRJNBWFM-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253164;MM253164;CC(F)=CCC(O)CCF;HRVLMDKOQINTIE-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253165;MM253165;CCCC(O)CC=C(F)F;ZJIIBNNRFBNNQQ-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253166;MM253166;CC(C)=CCC(F)CCO;YUSNRZAARKKILM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253167;MM253167;CC(C)=CCC(F)CCF;AIGAVUCIAZOKDA-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253168;MM253168;CCCC(F)CC=C(C)F;VXUYRKAJKBEIGD-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253169;MM253169;CC(F)=CCC(F)CCO;PCWSHGQCVYOTLV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253170;MM253170;CCCC(F)CC=C(F)F;QBFPLJSCZUXSAD-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253171;MM253171;NCCC(F)CC=C(F)F;MROOGLRYXDFFPK-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253172;MM253172;CNCC(C)CC=C(C)C;KXTVLARXNQKUEB-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253173;MM253173;CNCC(C)CC=C(C)F;BPMPOKRSRZFHJT-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253174;MM253174;CNCC(C)CC=C(F)F;GSQWMKHKIGGHBR-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253175;MM253175;CNCC(N)CC=C(C)C;QYXNUSCIOVEOBR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253176;MM253176;CNCC(F)CC=C(C)C;MKMMGWMWEXSHNY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253177;MM253177;CNCC(F)CC=C(C)F;MYZNRBORVWRFEF-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253178;MM253178;CCCC(C)NN=C(C)C;JHDHROVYCANHEN-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253179;MM253179;CC(C)=NNC(C)CCN;GAHHRLMIFMURKC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253180;MM253180;CNCC(C)NN=C(C)C;UPBUQTURIMQWJO-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253181;MM253181;CNCC(C)OC=C(C)F;ZAIJSIMKKONLAA-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253182;MM253182;C#CC(N)=NOCC(N)=O;TUAUJPQXHVVJAI-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253183;MM253183;CCOC(C)ON=C(C)C;HFUQVBOJARAHQK-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253184;MM253184;CCCN(C)CC=C(C)C;DTNOFBNFVKHXKG-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253185;MM253185;CC(F)=CCN(C)CCN;JQZIFCHVAQAEGB-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253186;MM253186;C=CCC(C)CC=C(C)C;VBPXEFLYRLRNKB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253187;MM253187;CC(C)=CCC(C)CC#N;CNHQFRKBIXKKSV-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253188;MM253188;CC(F)=CCC(C)CC=O;OGVNSSKCIKYOER-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253189;MM253189;CC(F)=CCC(C)CC#N;XONODBKLOJNVFG-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253190;MM253190;C=CCC(C)CC=C(F)F;CUDZPJZGYSPJIP-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253191;MM253191;CC(CC#N)CC=C(F)F;WOZJURIRSIXELN-UHFFFAOYSA-N;145.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253192;MM253192;C=CCC(N)CC=C(C)F;VVBWWHQRUCNAIY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253193;MM253193;CC(C)=CCC(O)CC=O;VUWMIUDNXSGFBH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253194;MM253194;C=CCC(O)CC=C(C)F;IHNAXWFJVPTXJB-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253195;MM253195;CC(F)=CCC(O)CC#N;FMBANMCMCXAOJN-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253196;MM253196;N#CCC(O)CC=C(F)F;ZATFQVOMAJZKKO-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253197;MM253197;CC(C)=CCC(F)CC=O;VXLZBGXPFCCPMC-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253198;MM253198;CC(C)=CCC(C)NC=N;QUSOBDIDSOVRJA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253199;MM253199;CNC(=O)CN=CN(C)O;SCFAZDQSUVLBHY-UHFFFAOYSA-N;145.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253200;MM253200;CC(F)=CCC(C)NC=N;PDGFOCXJDKZQHR-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253201;MM253201;N#CC(F)=CC=CC(N)=O;SKIQIHZLGHEEIC-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253202;MM253202;CC(CC=C(F)F)NC=O;UXCTWQSXLMKJAQ-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253203;MM253203;C=NNC(C)CC=C(C)C;KIABJVDZFVALCH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253204;MM253204;CC(F)=CCC(C)OC=O;RSYDRQRTNAPPLP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253205;MM253205;C=CCC(C)NN=C(C)C;JQZHPXNPLATSEE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253206;MM253206;CC=NN1CC(C)(CO)C1;AVODPSCMDIGGKE-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253207;MM253207;C=COC(C)OC=C(C)F;LRGRXBVVZAOFPM-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253208;MM253208;CCNC(=NN)OC(N)=O;SYUGYSHYAANYDQ-UHFFFAOYSA-N;146.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253209;MM253209;CC(F)=CCN(C)CC#N;NUXWJWTXZCKEIB-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253210;MM253210;CC(C)=CCN(C)NC=N;OXENKLRECGJJPF-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253211;MM253211;CC(F)=CCN(C)NC=N;SXTOCUHEJPCTBH-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253212;MM253212;CC(F)=CCN(C)NC=O;CRIOKSCORBUKDV-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253213;MM253213;C#CCC(C)CC=C(C)F;PITHBNVAZSWOKA-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253214;MM253214;CNN=C(NC)OC(N)=O;UYALFUQPDSBTIL-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253215;MM253215;C#CCC(O)CC=C(F)F;IMDAWGAYWABCTC-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253216;MM253216;C#CCC(C)OC=C(C)F;BJWAOKSMKDSMTH-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253217;MM253217;C=C(CC=C(C)C)CCC;MSKPOJSMSZZKTI-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253218;MM253218;C=C(CC=C(F)F)CCC;HYTISYIRLFOOTH-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253219;MM253219;C=C(CC=C(F)F)CCN;JOZNFURFCSBYPP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253220;MM253220;CC(C)=CCC(=O)CCF;DDFXBECGJGOXFX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253221;MM253221;CCCC(=O)CC=C(C)F;MGHCWKJUCUFSIS-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253222;MM253222;CCCC(=O)CC=C(F)F;OBUVKKQARFZBPZ-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253223;MM253223;O=C(CC=C(F)F)CCO;YNOWUFJXGNXDHQ-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253224;MM253224;C=C(CC=C(C)C)CNC;JJJSFXDFLJADJF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253225;MM253225;C=C(CC=C(C)F)CNC;CIRCEBUOQJHFPM-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253226;MM253226;C=C(CC=C(F)F)CNC;JGCNAHDWVYHTNK-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253227;MM253227;CNCC(=O)CC=C(C)F;XEFXGEGYKNWYMN-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253228;MM253228;CNCC(=O)CC=C(F)F;LUEITPCZXHAHDJ-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253229;MM253229;COCC(=O)CC=C(C)C;FJCQCBKOGATXFW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253230;MM253230;COCC(=O)CC=C(F)F;ISLFFIRGDFHTFE-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253231;MM253231;CCNC(=N)CC=C(F)F;JTEYJIJUNODNFM-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253232;MM253232;OCCON=CCC(F)F;IVZNBJSRSZODGH-UHFFFAOYSA-N;153.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253233;MM253233;CCNC(=O)CC=C(C)F;ALTZNLTWFNJMCO-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253234;MM253234;CCNC(=O)CC=C(F)F;DYQYUEYSFABZDD-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253235;MM253235;CNNC(=N)CC=C(C)F;ODCLZYXMONFIIP-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253236;MM253236;CONC(=O)CC=C(C)C;RCTROPNAXSDHJP-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253237;MM253237;CONC(=O)CC=C(C)F;HRGGZDOXAUGQLY-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253238;MM253238;CC(C)=CNC(=N)CCF;AXBDRWZIHBQNQA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253239;MM253239;CCCC(=N)NC=C(C)F;KDTYCORHHGHBPA-UHFFFAOYSA-N;144.19;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253240;MM253240;CC(F)=CNC(=N)CCN;YJIQDNKFKUXZQS-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253241;MM253241;CC(F)=CNC(=N)CCO;UAPPXGITXMMWBQ-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253242;MM253242;CC(F)=CNC(=N)CCF;XBQFXTUIYBCYGG-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253243;MM253243;CCCC(=N)NC=C(F)F;RUNLZAJRTSXDTR-UHFFFAOYSA-N;148.16;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253244;MM253244;CCCC(=O)NC=C(C)C;IAIUPKYQGZOHRL-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253245;MM253245;CCCC(=O)NC=C(C)F;CEMSFBVZKYLNNV-UHFFFAOYSA-N;145.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253246;MM253246;CC(F)=CNC(=O)CCF;OTLKTPAJPSDQRP-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253247;MM253247;CCCC(=O)NC=C(F)F;GKOKCDKVGUKGNG-UHFFFAOYSA-N;149.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253248;MM253248;O=C(CCF)NC=C(F)F;UDOZLCUUHTWMAJ-UHFFFAOYSA-N;153.1;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253249;MM253249;CNCC(=N)NC=C(C)C;AREWQFZGCIXJCU-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253250;MM253250;CCNC(=N)NC=C(C)C;JIWOYMMLZQSCQN-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253251;MM253251;CCNC(=N)NC=C(C)F;SEAPCNGVJJEJTH-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253252;MM253252;CCNC(=N)NC=C(F)F;WOGLDPQZGRPNPT-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253253;MM253253;CCNC(=O)NC=C(F)F;HVDWCMRAJNGQSX-UHFFFAOYSA-N;150.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253254;MM253254;C=C(F)CC=NOCCO;JHIQAHIMAHPTKN-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253255;MM253255;CONC(=N)NC=C(C)C;KCIDLRKBQRWLKK-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253256;MM253256;CONC(=O)NC=C(F)F;ZUJCKAJAANPISM-UHFFFAOYSA-N;152.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253257;MM253257;CCOC(=O)NC=C(C)C;RARYIFVIMPCANB-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253258;MM253258;CCOC(=O)NC=C(F)F;IGLWPBNYLYTSAX-UHFFFAOYSA-N;151.11;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253259;MM253259;CC(C)=NNC(=O)CCO;MARQVEZWRUPBAV-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253260;MM253260;COCC(=O)NN=C(C)C;XIPVRWZUQANQJD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253261;MM253261;CNNC(=N)NN=C(C)C;QZBNXVQMDSGUTI-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253262;MM253262;CCOC(=O)NN=C(C)C;PYWYEFXRQPIDET-UHFFFAOYSA-N;144.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253263;MM253263;C=C(CCN)OC=C(C)F;ICANAFFVEUWXQU-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253264;MM253264;CC(C)=COC(=O)CCN;MNIXXBYNYXTCGN-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253265;MM253265;CC(C)=COC(=O)CCO;WGFFTYDYLLGKMM-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253266;MM253266;NCCC(=O)OC=C(F)F;HSRSYBSWTJHCHU-UHFFFAOYSA-N;151.11;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253267;MM253267;O=C(CCO)OC=C(F)F;ZJXTTWHIEJJLKC-UHFFFAOYSA-N;152.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253268;MM253268;C=C(CNC)OC=C(C)F;LHDNGOYWVOHDOG-UHFFFAOYSA-N;145.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253269;MM253269;C=C(COC)OC=C(C)C;LKKKGWUULDTMNJ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253270;MM253270;COCC(=O)OC=C(C)F;LXUIGYZZSWDGBZ-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253271;MM253271;CCOC(=O)OC=C(C)F;JSTOZGFERLHFEF-UHFFFAOYSA-N;148.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253272;MM253272;CC(C)=NOC(=O)CCN;CSAVWTYRYRVWJI-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253273;MM253273;CNCC(=O)ON=C(C)C;XHVMZRFAJGWDGA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253274;MM253274;COCC(=O)ON=C(C)C;WWLSYXIXZJSYBV-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253275;MM253275;C=C(C)OC=NOCCO;QIADLMZYSPTAPU-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253276;MM253276;C=NOCON=CC(N)=O;YBPIBMWRIJOUCF-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253277;MM253277;C=C(CC=O)CC=C(C)F;GWAWOPVKZWBQOM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253278;MM253278;C=C(CC#N)CC=C(C)F;RMXFNMMNMKBNTL-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253279;MM253279;C=CCC(=C)CC=C(F)F;HFXLIXJPGQQHGX-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253280;MM253280;C=C(CC=O)CC=C(F)F;VHZJQFIVZANUBN-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253281;MM253281;C=CCC(=O)CC=C(C)C;FNSWVLHMKKGFQD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253282;MM253282;C=CCC(=O)CC=C(C)F;KNQZXQFYTFKAEJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253283;MM253283;C=CCC(=O)CC=C(F)F;RHQBXANFTFXKCL-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253284;MM253284;CC(F)=CC=NOCCO;VZTZUEHXPLYUPL-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253285;MM253285;C=CNC(=N)CC=C(C)F;GXUXTSHEEMWUOF-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253286;MM253286;CCCC(C)=NOCCO;XLYCCUFHFJDXJZ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253287;MM253287;C=CNC(=N)CC=C(F)F;TUOWHORBNIHNQN-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253288;MM253288;N=CNC(=N)CC=C(F)F;LQQNESPHLRGZCW-UHFFFAOYSA-N;147.13;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253289;MM253289;CC#CC(C)=NOCCO;ILUWYYMQZDSVIF-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253290;MM253290;CCNC(=O)N(N)CCO;XVAUTWLXRQHYPM-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253291;MM253291;CC(=NOCCO)C(C)C;IGXUNNQYPNZFOU-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253292;MM253292;C=CNC(=O)CC=C(F)F;DBODCTAKJOCKOW-UHFFFAOYSA-N;147.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253293;MM253293;O=CNC(=O)CC=C(F)F;BWZCRRHWPJFHJT-UHFFFAOYSA-N;149.1;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253294;MM253294;NC=CC(=O)N(N)C(N)=O;FGGIYCWPMBGBFC-UHFFFAOYSA-N;144.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253295;MM253295;C=COC(=O)CC=C(F)F;SRWWLYUUPHJCTB-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253296;MM253296;C=NOC(=O)CC=C(C)C;MWIRJEPMNRMWTK-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253297;MM253297;C=CCC(=N)NC=C(C)C;JNHXIFAWXKKKAP-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253298;MM253298;C=CCC(=N)NC=C(C)F;JRMQEYDZGWTBDF-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253299;MM253299;CC(C)=CNC(=O)CC=O;MZELBEIIVHLYDB-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253300;MM253300;CC(C)=CNC(=O)CC#N;NZHZPJMCZKPOCJ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253301;MM253301;CC(F)=CNC(=O)CC#N;HVRCSZREWSRQAD-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253302;MM253302;N#CCC(=O)NC=C(F)F;ALPNHIXTXMJHNP-UHFFFAOYSA-N;146.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253303;MM253303;C=CNC(=N)NC=C(C)F;KOOGVXOPQMXFBN-UHFFFAOYSA-N;143.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253304;MM253304;CC(F)=CNC(=N)NC=N;IODAJYHTZAAIMB-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253305;MM253305;N=C(C=NN)N(N)C(N)=O;MOSTZRJHRPPVTD-UHFFFAOYSA-N;144.14;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253306;MM253306;CC(F)=CNC(=O)NC=O;WUFXRFXHAMHITH-UHFFFAOYSA-N;146.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253307;MM253307;C=NNC(=O)NC=C(C)F;USODZFNFVASLRL-UHFFFAOYSA-N;145.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253308;MM253308;C=NNC(=O)NC=C(F)F;YDZAPQZMSVPUOA-UHFFFAOYSA-N;149.1;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253309;MM253309;CCC(C)(C=NNC)CO;WLRIVBQROKAOCI-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253310;MM253310;CCC(C)(C=NOC)CO;JNXCBBNYIWQIAK-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253311;MM253311;CCC(=NN)C1CC1(C)O;APDNRLVIXDESGO-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253312;MM253312;C=NOC(=O)NC=C(C)F;UHBBRCWFYWLTKX-UHFFFAOYSA-N;146.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253313;MM253313;C=NOC(=O)NC=C(F)F;JBYRUEQUFLWAKD-UHFFFAOYSA-N;150.08;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253314;MM253314;CC1(O)CCC(=NN)CC1;VDCYINXWPHIDRN-UHFFFAOYSA-N;142.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253315;MM253315;CC(C)=NNC(=O)CC#N;OYEOCJGDARARGK-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253316;MM253316;C=CCC(=C)OC=C(C)C;ZVVJCRNROFDUJO-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253317;MM253317;C=C(CC#N)OC=C(C)F;FFVOXPDKRQJVDN-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253318;MM253318;C=CCC(=C)OC=C(F)F;KXTLILUEOLKOMC-UHFFFAOYSA-N;146.14;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253319;MM253319;C=C(CC#N)OC=C(F)F;FKEMNAKOECBYRU-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253320;MM253320;C=CCC(=O)OC=C(C)F;JWBDLYUNGFVVAH-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253321;MM253321;CC(F)=COC(=O)CC=O;FIMMJHUYVUXNBD-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253322;MM253322;CC(F)=COC(=O)CC#N;BUIQEFRDDRSBQR-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253323;MM253323;C=C(NC=N)OC=C(C)C;SSLUFHQCARECNJ-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253324;MM253324;C=C(NC=O)OC=C(C)C;GTSLUZUTCSZADJ-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253325;MM253325;C=C(NC=N)OC=C(C)F;QAGRZMQJPYCWLI-UHFFFAOYSA-N;144.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253326;MM253326;C=C(NC=O)OC=C(C)F;QQWPJVQSJIHLLT-UHFFFAOYSA-N;145.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253327;MM253327;C=C(NC=N)OC=C(F)F;VBWLGLHDANVUBO-UHFFFAOYSA-N;148.11;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253328;MM253328;C=NOC(=O)OC=C(C)F;AMPKERGWICGSTB-UHFFFAOYSA-N;147.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253329;MM253329;CC(C)=NOC(=O)CC#N;NWBDBXBXNDQFCL-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253330;MM253330;CC(C)=NOC(=N)NC=O;DHJLJZAHNBVAJH-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253331;MM253331;C=NOC(=O)ON=C(C)C;LEUQSUNZYNEWFI-UHFFFAOYSA-N;144.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253332;MM253332;C#CCC(=C)CC=C(C)C;WNDQURYEXUAXHB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253333;MM253333;C#CCC(=O)CC=C(C)C;HGSGZDSFBLZPJL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253334;MM253334;C#CCC(=O)CC=C(C)F;XSTUMESNEPNPCN-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253335;MM253335;C#CCC(=N)NC=C(C)C;BRBBMCREUFURFO-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253336;MM253336;C=NN1CC(C)(CO)C1C;UDQYKHBIAMSAFU-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253337;MM253337;C#CCC(=O)NN=C(C)C;FAXDSDKXCAWXDI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253338;MM253338;C#CCC(=C)OC=C(C)F;ZICHIYKJIUECFH-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253339;MM253339;C#CCC(=C)OC=C(F)F;ISUBEJGBZKYNAV-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253340;MM253340;CC=CC(N)CC=C(C)C;DJKNOYXSXGMNOV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253341;MM253341;CC=CC(N)CC=C(C)F;GCDONHQIAUAPQZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253342;MM253342;CC=CC(N)CC=C(F)F;FAQMZPOWWNKLJJ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253343;MM253343;CC=CC(O)CC=C(C)F;INBHKAFOUCCYHB-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253344;MM253344;CC=CC(F)CC=C(C)C;SYFKTKJODYZKEA-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253345;MM253345;CC(C)=CCC(C)C=NO;WTQYZXPYIHWOLL-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253346;MM253346;CC=CC(C)NN=C(C)C;NJPVWGVEJHVEAG-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253347;MM253347;CC=CC(C)OC=C(C)F;LQEDCFVFJNINLW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253348;MM253348;CC=CC(C)OC=C(F)F;JNJGIDILYQCDKR-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253349;MM253349;CC(C)=NOC(C)C=NN;GPQRJGLDWKGECP-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253350;MM253350;CN=CN(C)CC=C(C)C;LXBSCJOZTOHUJJ-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253351;MM253351;CC(C)=CCN(C)C=NN;SDPCVCPBCTYBAN-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253352;MM253352;C=NN1CC(CC)(CO)C1;IMVYWMODFMYGNS-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253353;MM253353;C=C(CO)C(=N)N(C)C=O;BZBDBFJHESYMRA-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253354;MM253354;CCC(C)C=NOCCO;ICKLMCKSFSFWKP-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253355;MM253355;CC=NN(C)CC=C(C)C;LFIPXJZLKKCCOD-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253356;MM253356;CC=NN(C)CC=C(C)F;IILDNUDDUFMKBQ-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253357;MM253357;C=C(C=CC)CC=C(C)C;OANZBPXSHPLGFN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253358;MM253358;C=C(C=CC)CC=C(C)F;FOYHIUHUAOWDCV-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253359;MM253359;CC=CC(=O)CC=C(C)C;CDLNZZBYLNYUDV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253360;MM253360;CC(C)=CCC(=O)C=CN;OKOOLJZJVHMAPB-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253361;MM253361;CC(C)=CCC(=O)C=CF;KWBQSOWEGNHNRO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253362;MM253362;CC=CC(=O)CC=C(C)F;PCJSVCMVZWGTEF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253363;MM253363;CC(F)=CCC(=O)C=CN;KNVSJTARZMBJPU-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253364;MM253364;CC(F)=CCC(=O)C=CF;YEUGNNXRTADDLS-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253365;MM253365;CC=CC(=O)CC=C(F)F;OBRUSYRZZGWXIF-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253366;MM253366;CC(C)=CCC(=O)C=NO;JASQKRLREKLESU-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253367;MM253367;CC(C)=CNC(=N)C=CN;JOECIVVTFIFZJO-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253368;MM253368;CC=CC(=N)NC=C(C)F;RLBHIAAFBDRFIO-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253369;MM253369;CC(C)=CNC(=O)C=CN;SGVOMVMSALYVQB-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253370;MM253370;NC=CC(=O)NC=C(F)F;VRWHYJXJIMLDGG-UHFFFAOYSA-N;148.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253371;MM253371;CC(C)=CNC(=N)C=NN;JFLIFOOODKEFAI-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253372;MM253372;CC(C=NOCCO)CF;LKMIAHZZZUMUFE-UHFFFAOYSA-N;149.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253373;MM253373;N=C(C=NO)NC=C(F)F;DBEUJOPQRPKDSW-UHFFFAOYSA-N;149.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253374;MM253374;CC(C)=CNC(=O)C=NO;BQKOQVCBVINALR-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253375;MM253375;CC(F)=CNC(=O)C=NN;KQUBDQWRNBMFEZ-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253376;MM253376;CC=CC(=O)OC=C(C)F;FNVAFNPJEHRBEU-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253377;MM253377;CC(F)=COC(=O)C=CN;HLMCIGHQGMGBSL-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253378;MM253378;C=C(C=NN)OC=C(C)C;OLZWECKYZGLIOW-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253379;MM253379;C=C(C=NN)OC=C(C)F;KTKKTRUJBHUQKU-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253380;MM253380;C=CC(C)C=NOCCO;FMLKINYWBCQZJD-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253381;MM253381;C=NN(C)C=NOCCO;XGHSLDJBPQEVAY-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253382;MM253382;CC#CC(C)CC=C(C)C;HANVDWFMRZPLMC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253383;MM253383;CC#CC(C)CC=C(C)F;QMKTUMFNFKNOCF-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253384;MM253384;CC#CC(N)CC=C(C)C;IUDKGDIKACPZRF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253385;MM253385;CC#CC(N)CC=C(C)F;GULBBCMDERPZLW-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253386;MM253386;CC#CC(N)CC=C(F)F;OSDGARJXFZNFPY-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253387;MM253387;CC#CC(O)CC=C(C)C;FVLSHYSFZJEUSQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253388;MM253388;CC#CC(O)CC=C(C)F;JAMXHGMXCXDICU-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253389;MM253389;C=C(C#CC)CC=C(C)C;DRQIKQCSVCEKSM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253390;MM253390;C=C(C#CC)CC=C(C)F;FXBBKOQKGGXAPE-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253391;MM253391;C=C(C#CC)CC=C(F)F;PYTWDTDVCGPCMA-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253392;MM253392;CC#CC(=O)CC=C(C)F;YBBQFQBYPPPFBV-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253393;MM253393;CC#CC(=O)CC=C(F)F;BETLZFVQOHFMFS-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253394;MM253394;C=C(C=NOCCO)CF;WTMDDMVYWZQIRE-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253395;MM253395;CC#CC(=O)NC=C(C)F;ZFAAPWMIRFREPA-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253396;MM253396;C=CC(=C)C=NOCCO;BEZHBFXPZXLXNL-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253397;MM253397;CC#CC(=O)NN=C(C)C;MRTSIFHBSDWXAL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253398;MM253398;CCC=C(C)CC=C(C)C;IPLPPUPYOMBWPL-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253399;MM253399;CC(=CCN)CC=C(F)F;DJBYBVLKKOASEQ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253400;MM253400;CCC=C(F)CC=C(C)C;COLNYLFAQALDRS-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253401;MM253401;CC(C)=CCC(F)=CCN;FQWBDQXMAWXUBI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253402;MM253402;CCC=C(F)CC=C(C)F;NTNVMMUQPJHTLT-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253403;MM253403;CON=C(C)CC=C(C)C;OODWBSMENVLJDA-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253404;MM253404;CON=C(C)CC=C(C)F;PNPLAUGEUOLHOE-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253405;MM253405;C=C(C=O)C=NOCCO;FVYKYUOYJWCBPZ-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253406;MM253406;CC=C(C)C=NOCCO;LNLLZIQNFATUKJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253407;MM253407;CC(F)=COC(C)=CCN;DEDCTCCXDJNOHN-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253408;MM253408;CC(F)=COC(C)=CCO;CTBJISBXWOXTJB-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253409;MM253409;CCC=C(C)OC=C(F)F;KWHBBMHGHVUIQB-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253410;MM253410;CC(=CCN)OC=C(F)F;NUZYAIMQMIUTCW-UHFFFAOYSA-N;149.14;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253411;MM253411;CC(=CCO)OC=C(F)F;CNARUEJQTFZPFH-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253412;MM253412;COC=C(C)OC=C(C)F;PQTBVRBLPVGWED-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253413;MM253413;CC(C=NOCCO)=CF;ZEQHCRDCGGSRNY-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253414;MM253414;CC=C(F)C=NOCCO;GQAAZVVRNOMVFD-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253415;MM253415;CON=C(C)OC=C(C)F;JRKCIURTMDRCRE-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253416;MM253416;CON=C(C)OC=C(F)F;UHSWDBCMKQNKIS-UHFFFAOYSA-N;151.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253417;MM253417;CC(C)=CCC(C)=CC=O;YQGCAKDJQBPFLX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253418;MM253418;CC(C)=CCC(C)=CC#N;QTLWNTZTSFOPNW-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253419;MM253419;C=CC=C(C)CC=C(F)F;JMWCHPSJZMZEOQ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253420;MM253420;C=CC=C(F)CC=C(C)C;YQXYVUKJTAPVJY-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253421;MM253421;CC(C)=CCC(F)=CC#N;KOSUQGREZKFQBD-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253422;MM253422;C=NN=C(C)CC=C(F)F;KZWOYLSZAQZKKW-UHFFFAOYSA-N;146.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253423;MM253423;CC(C)=CN=C(C)NC=N;XLJFGBXFARGZTB-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253424;MM253424;CC(F)=CN=C(C)NC=N;OMZGOZMXVLYJSI-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253425;MM253425;CC(F)=CN=C(C)NC=O;SCSJBDWWGYSTKD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253426;MM253426;CC=NOC1CC1(C)CO;QTPQMYAEVIQDNB-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253427;MM253427;CC(C)=NN=C(C)NC=O;HVHLQGOPLFTBGA-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253428;MM253428;N=CN(NC=NN)C(N)=O;OWAGKXQYFQDRCX-UHFFFAOYSA-N;144.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253429;MM253429;C=CC=C(C)OC=C(C)F;KOJSYJGQSWLOAO-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253430;MM253430;CC(F)=COC(C)=CC=O;DQWYTALGWNPPOS-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253431;MM253431;C=CC=C(C)OC=C(F)F;VYJDBLJNLMVKEU-UHFFFAOYSA-N;146.14;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253432;MM253432;CC(=CC#N)OC=C(F)F;DQQWWXUERXLEBR-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253433;MM253433;CC(C)=COC(N)=CC#N;XYBGSHGMKVQOJP-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253434;MM253434;CC(F)=COC(N)=CC=O;FHBTUVBVDCRRQF-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253435;MM253435;CC(F)=COC(N)=CC#N;FMAUGQSWRACMBJ-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253436;MM253436;N#CC=C(N)OC=C(F)F;BDQHHKCLFAMXCK-UHFFFAOYSA-N;146.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253437;MM253437;C=NN=C(C)OC=C(C)F;WSZYAGKOWMHDMF-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253438;MM253438;C=NN=C(C)OC=C(F)F;DBBKQLMENHPQHO-UHFFFAOYSA-N;148.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253439;MM253439;C#CC=C(C)CC=C(C)C;APHNOLAPYDWGBE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253440;MM253440;C#CC=C(C)CC=C(C)F;BJOJEBDLHBDYCS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253441;MM253441;C#CC=C(C)CC=C(F)F;XXOJSPRBXPAJSC-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253442;MM253442;C#CC=C(F)CC=C(C)F;BSNUZFFSXNJVAI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253443;MM253443;C#CC=C(C)OC=C(F)F;VRWHEIIFLVKHKK-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253444;MM253444;CCCC(C)=CCC(C)C;XGBWZDFWOJSJID-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253445;MM253445;CCCC(C)=CCC(C)N;UFYIXNLFCGTFRG-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253446;MM253446;CC(=CCC(C)N)CCN;SBVDDYVMDGQMKU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253447;MM253447;CC(=CCC(C)N)CCF;TXHJQDDDGMOORY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253448;MM253448;CC(=CCC(C)O)CCN;JQDHCDLVAASJLT-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253449;MM253449;CCCC(C)=CCC(C)F;UIBRTFSNKNBVJW-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253450;MM253450;CC(=CCC(C)F)CCN;PDIYLAPQMLSGEO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253451;MM253451;CC(=CCC(F)F)CCN;VOEXQDWDTLDYQA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253452;MM253452;CC(N)CC=C(F)CCN;FSEMVVIIFCNGEP-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253453;MM253453;CC(N)CC=C(F)CCF;CVIFPMVSPCKPIH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253454;MM253454;CC(O)CC=C(F)CCO;ZKUYFVXMZMDTCH-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253455;MM253455;CC(O)CC=C(F)CCF;AUZJHOPLBCXAGS-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253456;MM253456;CCCC(F)=CCC(C)F;MAMSJVPUJNCCOS-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253457;MM253457;OCCC(F)=CCC(F)F;LGBLNSHUQSEAPL-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253458;MM253458;CNCC(C)=CCC(C)C;FKTUUMBCPRDEPV-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253459;MM253459;CNCC(C)=CCC(C)N;KOZKWOUOIPRADE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253460;MM253460;CNCC(C)=CCC(C)F;OYHFQCXORMLETP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253461;MM253461;CC(C)OC=C(F)CCO;VSJNRWHJSKBHAW-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253462;MM253462;CNCC(C)=COC(C)C;LRYNAIJNSKZGGD-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253463;MM253463;CCCC(C)=NNC(C)C;HVVLTZMHMXZZMO-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253464;MM253464;CC(CCF)=NNC(C)C;MZFPGUVEJONZSD-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253465;MM253465;CNc1nn(N)c(=O)n1N;KLOYBZOQABEEFY-UHFFFAOYSA-N;144.14;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253466;MM253466;CCCC(C)=CCN(C)C;ZVAXRFVBHIYTRT-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253467;MM253467;CCOC(C)=CCN(C)C;HTLNJMDFZAVREZ-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253468;MM253468;C=CCC(C)=CCC(C)C;WTDGWDVXCYJJNE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253469;MM253469;CC(=CCC(C)C)CC#N;YLLKJCOSUKPBER-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253470;MM253470;C=CCC(C)=CCC(C)N;BASKSRBWLMNFMS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253471;MM253471;C=NN(C=N)C(CC)CO;DDHWHIFTDPQVSD-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253472;MM253472;CNC(CO)C(C#N)=CN;RGIMGLZPMDLUMC-UHFFFAOYSA-N;141.17;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253473;MM253473;CNC(CO)C(C#N)=CF;UISISJQDZJAUBH-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253474;MM253474;CC(=CCC(C)F)CC=O;OSLRKGRNJMAFTE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253475;MM253475;CC(=CCC(F)F)CC=O;SQWQJEPHUXYYLX-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253476;MM253476;C=CCC(F)=CCC(C)N;UFXCJUOJMYMNTO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253477;MM253477;CC(=CCC(C)C)NC=N;RITISQDNYJLBNH-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253478;MM253478;CC(=CCC(C)C)NC=O;NALLYZHMFSBZCU-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253479;MM253479;CC(=CCC(C)N)NC=O;OIXIJTCBQYIANX-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253480;MM253480;CC(=CCC(C)O)NC=N;NYABTRAAKDCSHB-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253481;MM253481;CC(=CCC(C)O)NC=O;ISLKWAPZDHJODW-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253482;MM253482;CC(=CCC(C)F)NC=O;YHNRBOMPUKOSMG-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253483;MM253483;C=COC(C)=CCC(C)C;ULLCDTIMVCHEFL-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253484;MM253484;CC(=CCC(C)N)OC=O;VAOCZQABPVXKKI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253485;MM253485;C=COC(C)=CCC(C)O;QPDJJUMDYRAIJW-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253486;MM253486;CC(=CCC(C)F)OC=O;FXJOXBYHVWEOMK-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253487;MM253487;CC(=COC(C)C)CC#N;YPCKTDHYVWHEEJ-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253488;MM253488;C=CNC(C)=NCC(C)C;SBNGMVGSYSQSOD-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253489;MM253489;C=CNC(C)=NCC(C)O;PGVLZRZZLUKCAC-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253490;MM253490;CCC(=NOCCO)NN;UFZPHPHSJCQKDM-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253491;MM253491;CCC(CC)=NOCCO;KCVAYQJJIDDSKJ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253492;MM253492;OCCON=C(CF)CF;WRBICRWGESPWOD-UHFFFAOYSA-N;153.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253493;MM253493;CNC(=NOCCO)OC;VTBQYIPFNSRNMD-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253494;MM253494;C=CCC(C)=CCN(C)C;UMYBINYYUIVRTD-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253495;MM253495;C#CCC(C)=CCC(C)C;ZVWZEKVTHGCVTM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253496;MM253496;COC(=NOCCO)NN;DEPUNUQFCPLUJL-UHFFFAOYSA-N;149.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253497;MM253497;C#CCC(C)=CCC(F)F;QGMPNFOCOHTLBL-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253498;MM253498;C#CCC(F)=CCC(C)C;UKRXSWOWZJFEBH-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253499;MM253499;C#CCC(F)=CCC(C)N;XHWBVPDCEGXBEY-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253500;MM253500;C#CCC(C)=COC(C)C;DALKFUCCWPAKNO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253501;MM253501;C#CCC(C)=NNC(C)C;JFLQGZYKCFCCOY-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253502;MM253502;C#CCC(C)=NOC(C)C;TXHHPYNBEVMUKJ-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253503;MM253503;C=C(C)CC=C(C)CCC;LKVAZBXBOXQUQZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253504;MM253504;CCCC(C)=CCC(C)=O;YUZBIYHLOBHGGG-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253505;MM253505;CC(=O)CC=C(C)CCO;BBGDENZIJJCRIP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253506;MM253506;CC(=O)CC=C(C)CCF;RFCOITDQGSALBL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253507;MM253507;CCCC(C)=CCC(=N)N;JIJGTGWFIPNRIS-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253508;MM253508;CC(=CCC(=N)N)CCN;HIDCSRQIUDSXRP-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253509;MM253509;CC(=CCC(=N)N)CCF;OGLGZEMLFNEAQX-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253510;MM253510;C=CC(=NOCCO)OC;DOXHQMHYNKWWDI-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253511;MM253511;CCCC(F)=CCC(=N)N;OFHYEZWPYBCILH-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253512;MM253512;N=C(N)CC=C(F)CCN;MJKWFKRKQZNESK-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253513;MM253513;CCCC(F)=CCC(N)=O;ILQZSSRIJHFQEI-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253514;MM253514;NC(=O)CC=C(F)CCO;IDWCXSPPXPPYOR-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253515;MM253515;NC(=O)CC=C(F)CCF;CZJNQSZANBWAKS-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253516;MM253516;CCCC(F)=CCC(=O)O;BPHBLDYNUCKBRF-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253517;MM253517;C=C(C)CC=C(C)CNC;OMMFTTIAFFFJNY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253518;MM253518;CNCC(C)=CCC(=N)N;SMIVKOONEIFKRS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253519;MM253519;C=C(F)CC=C(C)CNC;RKAUBZHPVODGGQ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253520;MM253520;COCC(C)=CCC(=N)N;ILBVBXNETUETJS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253521;MM253521;C=C(C)CC=C(C)OCC;QTTNSZVXZWSHME-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253522;MM253522;CCCC(C)=CNC(C)=N;NOXIDZFVDWXWAE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253523;MM253523;CCCC(C)=CNC(C)=O;BHXYYQLZZBBMAA-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253524;MM253524;CC(=O)NC=C(C)CCN;SEOZWYFJNPVEFM-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253525;MM253525;CCCC(C)=CNC(=N)N;DZUXUBBERJKFEJ-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253526;MM253526;CC(=CNC(=N)N)CCO;ZARHGPJWJUOGFW-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253527;MM253527;CCCC(C)=CNC(N)=O;SROYOMXTNFUHTB-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253528;MM253528;CC(=CNC(N)=O)CCN;JNHXXAYZVQXJCN-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253529;MM253529;CCCC(F)=CNC(C)=N;RZOYHGPKVHDARO-UHFFFAOYSA-N;144.19;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253530;MM253530;CC(=N)NC=C(F)CCN;QWHWLIHWMFQXDX-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253531;MM253531;CC(=N)NC=C(F)CCO;LFQHNJLNZXPWNX-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253532;MM253532;CC(=N)NC=C(F)CCF;FKEBBSFYTTXFKH-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253533;MM253533;CCCC(F)=CNC(C)=O;AHQWKFGQJPQTPU-UHFFFAOYSA-N;145.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253534;MM253534;CC(=O)NC=C(F)CCF;WWHUPGHSLVDKPU-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253535;MM253535;NC(=O)NC=C(F)CCO;GGTLNPLHMWFSQH-UHFFFAOYSA-N;148.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253536;MM253536;CNCC(C)=CNC(=N)N;BCILQMAXHHLIKZ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253537;MM253537;CNCC(C)=CNC(N)=O;CYDPRSOHOOHMTE-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253538;MM253538;CNCC(F)=CNC(C)=N;WNUPWDNBVQAOHM-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253539;MM253539;COCC(C)=CNC(N)=O;FMFOPPMBXAELPE-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253540;MM253540;C=C(C)OC=C(C)CCN;RSIGESAWCBHLIX-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253541;MM253541;CC(=O)OC=C(C)CCN;QDIKEMUHQIBDBM-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253542;MM253542;C=C(C)OC=C(F)CCO;CAOUCVCDNWATIN-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253543;MM253543;C=C(C)OC=C(C)CNC;UQXFFNRKRDZNSQ-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253544;MM253544;COCC(F)=COC(C)=O;DFIJIKAQRGJHKR-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253545;MM253545;C=C(C)OC=C(C)OCC;ZYVJOSPPBIZACF-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253546;MM253546;CCCC(C)=NNC(C)=O;SQKHWLPRZQGQIW-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253547;MM253547;CC(CCN)=NNC(=N)N;POECNOMBOTTWIV-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253548;MM253548;CC(CCO)=NNC(=N)N;MMNYGOUHTRLQSX-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253549;MM253549;CC(CCN)=NNC(N)=O;AITFNDWSICVGDK-UHFFFAOYSA-N;144.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253550;MM253550;CCOC(C)=NNC(=N)N;SLWPWJKUCVZORQ-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253551;MM253551;CCCC(C)=NOC(C)=O;LAGFFDVBFWIIQU-UHFFFAOYSA-N;143.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253552;MM253552;C=CC(C=C)=NOCCO;ZYQXSBQWITUCEJ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253553;MM253553;CC(CCN)=NOC(N)=O;HDBATGOWWLURMD-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253554;MM253554;C=CC(C=O)=NOCCO;BOHIZZVCLWMUAI-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253555;MM253555;COCC(C)=NOC(N)=O;MIHQNUMBABGZAB-UHFFFAOYSA-N;146.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253556;MM253556;CCOC(C)=NOC(C)=O;ZGPKUCMQWNPTBL-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253557;MM253557;C=C(C)CC=C(C)CC#N;KLFQEAOMEFAOIE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253558;MM253558;C=CCC(C)=CCC(C)=O;JDYITQMCQGRCGG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253559;MM253559;CC(=CCC(=N)N)CC#N;LGTNRDYFORPLPZ-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253560;MM253560;CC=NOCC1(CO)CC1;YCHIEGTWPVGGME-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253561;MM253561;C=CCC(C)=CCC(=O)O;FXAARIHMIIQBSE-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253562;MM253562;CC(=CCC(=O)O)CC#N;AQOSNOFNMXSFTL-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253563;MM253563;C=CCC(C)=CCC(=C)F;BGWPFLPOFVFSNS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253564;MM253564;C=C(F)CC=C(C)CC=O;HOGMIBXKEVITSN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253565;MM253565;C=C(F)CC=C(C)CC#N;RCEJJGCWZUHQRJ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253566;MM253566;C=C(C)CC=C(F)CC=O;NQZYBSOWCMNYID-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253567;MM253567;C=CCC(F)=CCC(C)=O;MWRVMDANGYAXSN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253568;MM253568;CC(=O)CC=C(F)CC#N;DYEYUQHSOOQFED-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253569;MM253569;C=CCC(F)=CCC(=N)N;DWJXLVXGDXEPOG-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253570;MM253570;N#CCC(F)=CCC(=N)N;QXRLYBJPZLLKOH-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253571;MM253571;NC(=O)CC=C(F)CC=O;YTVMPNFKZACYKR-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253572;MM253572;C=C(F)CC=C(F)CC=O;YPMSORCKAHMHAD-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253573;MM253573;C=COC(C)=CCC(C)=O;UUMORMADSGWYKL-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253574;MM253574;CC(=CCC(=N)N)OC=O;ZMKWRMQGHLRGCM-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253575;MM253575;CC(=CCC(N)=O)OC=O;XDMQCWGAVOCJMV-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253576;MM253576;CNC(=O)CC(C)C(=O)O;QXNIMKBZNNGWQU-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253577;MM253577;C=CCC(C)=CNC(C)=N;PITWFRACMXPBAO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253578;MM253578;CC(=N)NC=C(C)CC#N;OPLIRJAVUIRTKZ-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253579;MM253579;C=CCC(C)=CNC(C)=O;DXSKNSUFRUGKIK-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253580;MM253580;CC(=O)NC=C(C)CC=O;KNPHRWGSTYUPJH-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253581;MM253581;C=CCC(C)=CNC(N)=O;ZMXIAYFHFMEEAK-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253582;MM253582;CC(=CNC(N)=O)CC=O;NBPLUWKUCBWEGV-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253583;MM253583;C=CCC(F)=CNC(C)=N;UHKKHWMYCLTFBU-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253584;MM253584;CC(=N)NC=C(F)CC#N;NMQLUMJVJSTZMV-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253585;MM253585;C=CCC(F)=CNC(C)=O;JEUQSSMIRQJHHK-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253586;MM253586;CC(=O)NC=C(F)CC=O;SQPFIKBLZQWGOH-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253587;MM253587;CC(=O)NC=C(F)CC#N;SLJJVFWGKWBVQH-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253588;MM253588;C=CCC(F)=CNC(N)=O;SHJRHQVVADVZIG-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253589;MM253589;CC(=N)NC=C(C)OC=O;PTUXWLCYOAULGU-UHFFFAOYSA-N;142.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253590;MM253590;CC(=O)NC=C(C)OC=O;IINQXEVWTTXRNI-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253591;MM253591;CC(=CNC(=N)N)OC=O;VJFXINJOLVTRME-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253592;MM253592;CC(=CNC(N)=O)OC=O;QBXUFTHXNMSBRF-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253593;MM253593;C=CCC(C)=COC(=C)C;ZPIVOFAZMCMVSA-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253594;MM253594;C=C(C)OC=C(C)CC=O;WOSIJBFUVOAPDG-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253595;MM253595;C=C(C)OC=C(C)CC#N;NKWAEQITNHDBPM-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253596;MM253596;C=CCC(C)=COC(C)=O;KDQMCBZEFIJASN-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253597;MM253597;CC(=O)OC=C(F)CC=O;OFGGUMNTLVNPDG-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253598;MM253598;CC(=O)OC=C(F)CC#N;ZGXZGBQSWHHDFD-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253599;MM253599;C=COC(C)=COC(=C)C;PBZYAUAFMVDIGE-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253600;MM253600;C=CNC(C)=NCC(=N)N;PCFUCELBWUVQTE-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253601;MM253601;CC(=O)NN=C(C)CC=O;SHYWYXSBNPEWGS-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253602;MM253602;CC(CC=O)=NNC(=N)N;YJTUFGUERBEIEJ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253603;MM253603;C=CN=C(C)NNC(=N)N;WTVRBZZZVCBMRZ-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253604;MM253604;C=CN=C(C)NNC(N)=O;VBVUUMKEOMPSOE-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253605;MM253605;C=COC(C)=NNC(=N)N;HUOIMFGMZOBMMD-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253606;MM253606;CC(=NNC(=N)N)OC=O;JBEGYOIGUHUZBL-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253607;MM253607;C=NOC(C)C1(CO)CC1;ZTSPWBOXKQZSIM-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253608;MM253608;C=COC(C)=NOC(C)=O;SBIFGRMJLXFUAU-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253609;MM253609;C=COC(C)=NOC(N)=O;ZGTMPEUSZYRAKX-UHFFFAOYSA-N;144.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253610;MM253610;C=NOC(C)=NOC(C)=O;CGSZMVHPBHBVRG-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253611;MM253611;C#CCC(C)=CCC(=C)C;KYEHKNHPVRXOCG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253612;MM253612;C#CCC(C)=CCC(C)=O;YZHVUSODVGZEED-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253613;MM253613;C#CCC(C)=CCC(=N)N;KFQBTXTXBBWXKH-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253614;MM253614;C#CCC(C)=CCC(N)=O;CSLLOLUGIKWKBM-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253615;MM253615;C#CCC(C)=CCC(=O)O;BVXVLAGXPOMCAS-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253616;MM253616;C#CCC(C)=CCC(=C)F;XHNPAFJSZZBRNW-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253617;MM253617;C#CCC(F)=CCC(=N)N;SELCVLYHHAYTFK-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253618;MM253618;C#CCC(F)=CCC(=O)O;ZKXJWCZVWPJQRJ-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253619;MM253619;C#CCC(F)=CCC(=C)F;XEOBYZATBIHQNN-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253620;MM253620;C#CCC(C)=CNC(C)=N;RCULZVVPWALWIZ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253621;MM253621;C#CCC(C)=CNC(C)=O;YZRYQCNISLKQIW-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253622;MM253622;C#CCC(F)=CNC(C)=N;LCWBCHKZEIHDII-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253623;MM253623;C#CCC(F)=CNC(C)=O;WGMIXJWLQTWKBR-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253624;MM253624;C#CCC(C)=COC(=C)C;RUZVKWBXKAEMEU-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253625;MM253625;C#CCC(C)=COC(C)=O;YESGAVXZVZFUKY-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253626;MM253626;C#CCC(C)=NNC(C)=O;AZOONLCASGVRAH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253627;MM253627;C#Cc1nc(NCC)c[nH]1;OAWVLDBQOQOLNG-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253628;MM253628;CC=CC(C)=CCC(C)C;ZRRHJSNKYAVHNU-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253629;MM253629;CC=CC(C)=CCC(C)N;BSLYRMWHNNVTDF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253630;MM253630;CC(C=CF)=CCC(C)N;KMBIGGWRRGPUAA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253631;MM253631;N#CC=C1C=C(CO)C=N1;XKVDXNAQUCZJRY-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253632;MM253632;CC1CC1C=NOCCO;DMMHJEANDWBBPN-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253633;MM253633;CC=CC(C)=CCC(C)F;CFKMCVWYWBQNSW-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253634;MM253634;CC=CC(F)=CCC(C)N;JYTFRAPRIIPIJT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253635;MM253635;CC(C=NO)=CCC(C)N;VQPHBRAHBLMKSQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253636;MM253636;C=CCNC=NOCCO;UODSEORMRUIFPX-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253637;MM253637;N=CNC(N)=NCC(F)F;WKUDQYKOIUJNQZ-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253638;MM253638;CC(C=CF)=NNC(C)C;FJFQWPTYLKVCMG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253639;MM253639;CC=CC(C)=CCN(C)C;SPQINIIWZLIMHX-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253640;MM253640;CC(C=CF)=CCN(C)C;GXNAZMPXEOWXCN-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253641;MM253641;CC(C=NN)=CCN(C)C;BTSJFFIOYPIGDN-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253642;MM253642;CC(C=NO)=CCN(C)C;AYFXNQMRMYYSCF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253643;MM253643;C=C(C)CC=C(C)C=CC;MYYMPWAKVKAAFD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253644;MM253644;CC=CC(C)=CCC(C)=O;NMCRLRHKUIQENY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253645;MM253645;CC=CC(C)=CCC(=N)N;HNJJHDYCQMFGKV-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253646;MM253646;C#CCNC=NOCCO;FICUBHMYWPTGNE-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253647;MM253647;CC(C=CF)=CCC(N)=O;YGAACBIFFYACKM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253648;MM253648;CC=CC(C)=CCC(=O)O;SKXGQJLWFPGUBF-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253649;MM253649;CC(C=CF)=CCC(=O)O;LYGWOVDTLLBWAN-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253650;MM253650;C=C(F)CC=C(C)C=CC;FGOFCXBXWANVNM-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253651;MM253651;CC=CC(F)=CCC(=N)N;TZNNBFOFOYCCAR-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253652;MM253652;CC=CC(F)=CCC(N)=O;XYADTTXMVZWCNC-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253653;MM253653;NNC=NC=NOCCO;KLCUSMYQLZQOAF-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253654;MM253654;CC(C=NO)=CCC(N)=O;NNFTVMVDRFCUPY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253655;MM253655;N=C(N)CC=C(F)C=NN;BSBPTTWHFITQDM-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253656;MM253656;CCCCC=NOCCO;AVIYGYSSZYBQIN-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253657;MM253657;O=C(O)CCC1CC1O;KULPCTHLDPWXDD-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253658;MM253658;CC=CC(C)=CNC(C)=N;SNOAXSBYTGJERS-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253659;MM253659;CC=CC(C)=CNC(C)=O;MPCXNAKWJOGCCJ-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253660;MM253660;CC(=O)NC=C(C)C=CF;VFCBZHGIVJBADT-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253661;MM253661;CC=CC(C)=CNC(=N)N;GNPDHMJTCDBWSY-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253662;MM253662;CC=CC(C)=CNC(N)=O;FKWHKJGGOQGYQC-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253663;MM253663;CC=CC(F)=CNC(C)=N;JHLDSCOROPENTC-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253664;MM253664;CC=CC(F)=CNC(C)=O;NIKDCGYAQKWSTG-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253665;MM253665;N=C(N)NC=C(F)C=CF;UPHUFIWJQCWRTP-UHFFFAOYSA-N;147.13;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253666;MM253666;CC=CC(F)=CNC(N)=O;HOCUYNDFYMZBNL-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253667;MM253667;NC(=O)NC=C(F)C=CF;IZOZIJBKXBKLKA-UHFFFAOYSA-N;148.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253668;MM253668;CCCOC=NOCCO;OMLVEGNDGOXYMO-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253669;MM253669;CC(C=NN)=CNC(=N)N;DKHKAELSHOFUGK-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253670;MM253670;CC(C=NO)=CNC(=N)N;YGDBJKKXFVVEOD-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253671;MM253671;C=C(C)OC=C(C)C=CC;DVVBTVPKKGVNBH-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253672;MM253672;CC=CC(C)=COC(C)=O;CEVTUCPUGRJKOU-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253673;MM253673;CC(=O)OC=C(C)C=NN;JMANDHRQZDDHKY-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253674;MM253674;N=CNC(N)=NCC(=N)N;PJKINSHEYREIHP-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253675;MM253675;N=CNC(N)=NCC(N)=O;AWZLNMUXPNODCB-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253676;MM253676;C=C(F)CN=C(N)NC=N;ILRCITHREZNMNU-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253677;MM253677;CC(C=CN)=NNC(=N)N;ZHFBVSBWOGPCEL-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253678;MM253678;CC(C=CF)=NNC(N)=O;VGRKIXXTEKDUGY-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253679;MM253679;CC(C=NN)=NNC(=N)N;SZPRAWASUXXHDR-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253680;MM253680;CC(C=NO)=NNC(=N)N;MZFQUXIWINLEJM-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253681;MM253681;OCCON=COCCF;SUCJMHMMBGCKGZ-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253682;MM253682;CC(C=NO)=NNC(N)=O;OLPAEIZEOFQPJR-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253683;MM253683;N=CNC(N)=NNC(=N)N;BANOTOXSIWFQFI-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253684;MM253684;N=CNC(N)=NNC(N)=O;BAPNUOHATPIXKZ-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253685;MM253685;CC(=O)ON=C(C)C=CN;KUMAYZHIDQFPRY-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253686;MM253686;C=CCOC=NOCCO;QGZDTNIDYINDRQ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253687;MM253687;N=CNC(N)=NOC(N)=O;PBRRMTJETWXLOU-UHFFFAOYSA-N;145.12;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253688;MM253688;CC#CC(C)=CCC(C)C;FETODDVJWSLFLP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253689;MM253689;CC#CC(C)=NNC(C)C;NBPUAFYWXNGSGK-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253690;MM253690;C=C(C)CC=C(C)C#CC;RFGIXUJIEMHEKU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253691;MM253691;CC#CC(C)=CNC(C)=N;DAHXHOLAJBTLSH-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253692;MM253692;CC#CC(C)=CNC(C)=O;ABBBCUJFMCIIEI-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253693;MM253693;CC#CC(F)=CNC(N)=O;JTGHRSXENDDMGK-UHFFFAOYSA-N;142.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253694;MM253694;C=C(C)OC=C(C)C#CC;KXZOBTNCLBSYTF-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253695;MM253695;CC#CC(C)=NNC(=N)N;FVLKOPRUVLOMRU-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253696;MM253696;CC#CC(C)=NNC(N)=O;ZRINOYNYMYRBGY-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253697;MM253697;CC#CC(C)=NOC(N)=O;VZIXSMSLWDGCSK-UHFFFAOYSA-N;140.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253698;MM253698;CCCC(C)=CC=C(C)C;PZJHEIWQZNFXAH-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253699;MM253699;CC(C)=CC=C(C)CCN;XGXJCQPNSBGGDB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253700;MM253700;CCCC(C)=CC=C(C)F;IYCVLHNNVMULAL-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253701;MM253701;CC(F)=CC=C(C)CCN;SHLXQQPESWQQOT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253702;MM253702;NN=COC=NOCCO;MNEHUMROZCHCJP-UHFFFAOYSA-N;147.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253703;MM253703;CCCC(C)=CC=C(F)F;UNQZWEWMSAFSMX-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253704;MM253704;CC(=CC=C(F)F)CCN;QHFIHQQSQIVHMT-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253705;MM253705;CC(C)=CC=C(F)CCN;GKXZEJUCLBIOBZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253706;MM253706;CNCC(C)=CC=C(C)C;OPYCVVHOLYAGAT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253707;MM253707;CNCC(C)=CC=C(C)F;NJTRALXYQPSUMA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253708;MM253708;CNCC(C)=CC=C(F)F;RYFPLKLGVNVPJJ-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253709;MM253709;CCOC(C)=CC=C(C)C;FDRIATGHTXFZQU-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253710;MM253710;CCOC(C)=CC=C(C)F;MSFHTEWUCGWSHI-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253711;MM253711;CCCC(=N)NN=C(N)N;DRPOXRWIIARRAM-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253712;MM253712;CNCC(=N)NN=C(N)N;HYLVLRUUOPJCKH-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253713;MM253713;COCC(C)=NN=C(C)C;JYNGXFXNEDOTCE-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253714;MM253714;CCOC(=N)NN=C(N)N;WZAQUHXJTRRURR-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253715;MM253715;C=CCC(C)=CC=C(C)C;RJROWLUYBCHZRG-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253716;MM253716;CC(C)=CC=C(C)CC=O;QGSCDRKRANXHTH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253717;MM253717;CC(C)=CC=C(C)CC#N;QOODHUAUFVEFKY-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253718;MM253718;C=CCC(C)=CC=C(C)F;QOEAMGIYGQIPRE-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253719;MM253719;CC(F)=CC=C(C)CC=O;JIDOOHXLKQPGGO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253720;MM253720;CC(F)=CC=C(C)CC#N;SHUDUMXZSZOCAP-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253721;MM253721;CC(=CC=C(F)F)CC=O;XWODAYHFEKMWRC-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253722;MM253722;CC(=CC=C(F)F)CC#N;ADOZHZIAKHXGBX-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253723;MM253723;CC(C)=CC=C(F)CC=O;PAMZNSRNFHKJNE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253724;MM253724;CC(F)=CC=C(F)CC=O;KHTOCALGWNNDQT-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253725;MM253725;C=CCC(F)=CC=C(F)F;NQGMPHPMMAPFDP-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253726;MM253726;C=COC(C)=CC=C(C)C;OXHUOAAILVEYAO-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253727;MM253727;CC(C)=NN=C(C)CC#N;RITLSODIETZHMF-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253728;MM253728;C=CC=CC=NOCCO;MUZWOGHRDHXVJK-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253729;MM253729;C=CNC(N)=NNC(C)=N;OWDOOUSTLNDMIW-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253730;MM253730;CC(=N)NN=C(N)NC=N;QKDBJTBWNIDZDO-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253731;MM253731;C=COC(C)=NN=C(C)C;FMJYJSHNWISZBP-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253732;MM253732;CC(C)=NN=C(C)OC=O;YXZYYUWYMKLVDC-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253733;MM253733;C=NOC(C)=NN=C(C)C;WHEBAFYXDDIEDI-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253734;MM253734;C#CCC(C)=CC=C(C)C;DVBHPMBZWMXSKW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253735;MM253735;C#CCC(C)=CC=C(C)F;LWBUECOOHHJIBO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253736;MM253736;C#CCC(C)=CC=C(F)F;WRMZAFUMNQWLOA-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253737;MM253737;C#CCC(F)=CC=C(C)F;UDDQALVSZUZBCQ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253738;MM253738;C#CCC(C)=NN=C(C)C;HQJPKNXTVFGMSM-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253739;MM253739;CC=CC(C)=CC=C(C)C;VMJZCRLJWCETEG-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253740;MM253740;CC=CC(C)=CC=C(C)F;WQHCFDKPESWXNS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253741;MM253741;CC=CC(C)=CC=C(F)F;NRYCFDJRCJCTQB-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253742;MM253742;CC(C=CF)=CC=C(F)F;CWADIJAQSUUXRQ-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253743;MM253743;CC=CC(F)=CC=C(F)F;IRUIWMIAOLOMOQ-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253744;MM253744;CC(F)=CC=C(C)C=NN;PQBHPBQHVHKTNJ-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253745;MM253745;CC(C=NN)=CC=C(F)F;JXQKQLSRFAVDHZ-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253746;MM253746;CC(C=NO)=CC=C(F)F;OLCBBLVFKAMHCG-UHFFFAOYSA-N;147.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253747;MM253747;CC(C)=NN=C(C)C=CN;IBIWDBOKFASCTF-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253748;MM253748;CC=CC(=N)NN=C(N)N;MJKNOSQTXOARHJ-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253749;MM253749;N#CC=CC=NOCCO;JNOWHOQOCULQGQ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253750;MM253750;N=C(C=NN)NN=C(N)N;QWTNCCZOERNNTE-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253751;MM253751;CC#CC(C)=CC=C(C)C;BGYXBKIXSDXZHL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253752;MM253752;CC#CC(C)=CC=C(F)F;KTHNSTZJNBXLSB-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253753;MM253753;CC#CC(C)=NN=C(C)C;YXFFGIPNLSMNBN-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253754;MM253754;CC#CC(=N)NN=C(N)N;KNFSTSJSIAFECA-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253755;MM253755;CC(C)C(C)C(C)C(C)C;BHGNYYIOYPFWKC-UHFFFAOYSA-N;142.29;3.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253756;MM253756;CC(C)C(C)C(C)C(C)N;RTZVFVJSLCADGQ-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253757;MM253757;C#CC=CC=NOCCO;PAQDTIKFHPCWMV-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253758;MM253758;CC(C)C(C)C(C)C(C)F;UAFLCLKRWRJNCY-UHFFFAOYSA-N;146.25;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253759;MM253759;CC(N)C(C)C(C)C(C)O;WKNJNCQOMIUELU-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253760;MM253760;CC(N)C(C)C(C)C(C)F;QIHUBIJPAJIIRC-UHFFFAOYSA-N;147.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253761;MM253761;CC(N)C(C)C(C)C(F)F;VRNOJYRRZMEVND-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253762;MM253762;CC(O)C(C)C(C)C(C)O;PXNAPGDENOWLRW-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253763;MM253763;CC(O)C(C)C(C)C(C)F;OUJSYYVZUKIEPR-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253764;MM253764;CC(F)C(C)C(C)C(C)F;GHAAPRWLVHWEIH-UHFFFAOYSA-N;150.21;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253765;MM253765;CC(F)C(C)C(C)C(F)F;NUNSCCYCGRIMKE-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253766;MM253766;CC(C(F)F)C(C)C(F)F;ZULWWVKYOVMMLB-UHFFFAOYSA-N;158.14;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253767;MM253767;CC(C)C(C)C(N)C(C)O;NYJSAUCWELCOMP-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253768;MM253768;CC(C)C(C)C(N)C(C)F;DMPVALAOSJDRHJ-UHFFFAOYSA-N;147.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253769;MM253769;CC(C)C(N)C(C)C(C)O;RLPDAXBTSLGZGU-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253770;MM253770;CC(C)C(N)C(C)C(F)F;XIJJMINXNTZRMA-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253771;MM253771;CC(C)C(O)C(C)C(C)N;ZQTSNQDNOQQRHQ-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253772;MM253772;CC(O)C(C)C(O)C(F)F;NUWGPRAAEPINMQ-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253773;MM253773;CC(F)C(C)C(O)C(C)F;LPFBPANEGWOTKK-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253774;MM253774;CC(F)C(C)C(O)C(F)F;YHLBXISFADZBSQ-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253775;MM253775;CC(C)C(C)C(F)C(C)N;PZKFXCRRWTWFGJ-UHFFFAOYSA-N;147.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253776;MM253776;CC(C)C(C)C(F)C(F)F;CEQKXNNUXFIDGS-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253777;MM253777;CC(C)C(F)C(C)C(C)N;RYFSMBSMMHBPCF-UHFFFAOYSA-N;147.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253778;MM253778;CC(N)C(C)C(F)C(C)N;AWZLJWBFMXFKKR-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253779;MM253779;CC(N)C(F)C(C)C(C)F;KJXKZGIKYOJPAB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253780;MM253780;CC(O)C(F)C(C)C(C)F;IHQTYWHNVWPKBX-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253781;MM253781;CC(C)C(F)C(C)C(F)F;HXQWGFVGGHCOKL-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253782;MM253782;CC(N)C(N)C(O)C(F)F;LQVQKRUKUQBNGY-UHFFFAOYSA-N;154.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253783;MM253783;CC(O)C(N)C(O)C(C)O;NHZPEZQZGDJDRX-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253784;MM253784;CC(C)C(N)C(F)C(C)C;FRHSUHKJWXYMIL-UHFFFAOYSA-N;147.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253785;MM253785;CC(C)C(N)C(F)C(C)N;AYYJWQWVCDJHKN-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253786;MM253786;CC(C)C(O)C(O)C(C)N;BULQEJIOOHLELI-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253787;MM253787;CC(C)C(O)C(O)C(F)F;PDELKUPVGYILNW-UHFFFAOYSA-N;154.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253788;MM253788;CC(N)C(O)C(O)C(C)O;CLRHTZSJECFLGM-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253789;MM253789;CC(C)C(C)C(C)N(C)C;LYJLHNBEJLGHSN-UHFFFAOYSA-N;143.27;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253790;MM253790;CC(O)C(C)C(C)N(C)C;VECFIWVHZSIURV-UHFFFAOYSA-N;145.25;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253791;MM253791;CC(O)C(N)C(C)N(C)C;FRBDMHDTTRZRPM-UHFFFAOYSA-N;146.23;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253792;MM253792;CC(C)C(O)C(C)N(C)C;TWJZFRDVZRFWSK-UHFFFAOYSA-N;145.25;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253793;MM253793;CC(N)C(C)N(C)C(C)C;AYXHWABFKUDKDC-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253794;MM253794;C=C(C)C(C)C(C)C(C)C;GEYMPHZGTHNXLP-UHFFFAOYSA-N;140.27;3.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253795;MM253795;CN1C(C#CCF)C1CO;MOLYUTYEFUOTMP-UHFFFAOYSA-N;143.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253796;MM253796;CC(C)C(C)C(C)C(=O)O;RWJKYJZSUKHVAN-UHFFFAOYSA-N;144.21;2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253797;MM253797;C=C(C)C(C)C(C)C(C)N;YWJXYZGRIZLCBP-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253798;MM253798;CC(N)C(C)C(C)C(N)=O;VSZQCMGQQTZVEV-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253799;MM253799;C=C(F)C(C)C(C)C(C)N;CPXWTKYAOQHKBI-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253800;MM253800;N#CC(C=C(F)CO)=NO;SPDRVCIRKWWGEN-UHFFFAOYSA-N;144.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253801;MM253801;C=C(C)C(C)C(C)C(C)F;UKYFLALKSJOCFA-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253802;MM253802;CC(F)C(C)C(C)C(=N)N;GVPIITZCFJDWCL-UHFFFAOYSA-N;146.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253803;MM253803;C=CC#CC1C(CO)N1C;APBQXDJKZKNCRC-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253804;MM253804;C=C(C)C(C)C(C)C(F)F;CWSZCPKHLRRQCY-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253805;MM253805;CC(C(=O)O)C(C)C(F)F;GXCWXJJREIDDNE-UHFFFAOYSA-N;152.14;1.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253806;MM253806;C=C(F)C(C)C(C)C(F)F;IBOQEXNOFFQIFF-UHFFFAOYSA-N;152.16;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253807;MM253807;C=C(F)C(N)C(C)C(C)C;FUVMIGQGJPTQPV-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253808;MM253808;CC(F)C(C)C(N)C(N)=O;ZHUQTMHHEOGQCU-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253809;MM253809;C=C(F)C(N)C(C)C(C)F;LZIGKJSLPMNBGG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253810;MM253810;C=C(C)C(O)C(C)C(C)O;GGZBFCBGBFRGPA-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253811;MM253811;C=C(C)C(O)C(C)C(C)F;JUFCCBQEDRFOIB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253812;MM253812;CC(=O)C(O)C(C)C(F)F;URRZZVSFXMLLAQ-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253813;MM253813;CC(C(F)F)C(O)C(N)=O;BLOASCVICFOFLV-UHFFFAOYSA-N;153.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253814;MM253814;CC(CCC(N)=O)C(=O)O;UGYCMEYLYADHPZ-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253815;MM253815;C=C(C)C(F)C(C)C(C)C;FEUOSRNPUQVUQT-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253816;MM253816;CC(=O)C(F)C(C)C(C)C;YLTJBPMGBURXSF-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253817;MM253817;C=C(C)C(F)C(C)C(C)O;RVWQMVYAEAYVQQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253818;MM253818;C=C(C)C(F)C(C)C(C)F;ILBTVMSSDOLKQN-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253819;MM253819;CC(=O)C(F)C(C)C(C)F;DRQZWTNLJDEEDH-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253820;MM253820;CC(F)C(C)C(F)C(N)=O;VSRLTDMURAFMCE-UHFFFAOYSA-N;151.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253821;MM253821;CC(F)C(C)C(F)C(=O)O;DBPSJXHYKLDPKK-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253822;MM253822;C=C(F)C(F)C(C)C(C)F;BIMMMPQSTHNCKN-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253823;MM253823;CC(C)C(N)C(C)C(N)=O;KDNFYGDJFHBNNL-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253824;MM253824;CC(F)C(N)C(C)C(=N)N;CERPLTNCAFNPPY-UHFFFAOYSA-N;147.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253825;MM253825;C=C(F)C(C)C(N)C(C)F;OUFZHZGBDCJHGN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253826;MM253826;C=C(F)C(N)C(N)C(C)C;UDPGQFAXLCGJEI-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253827;MM253827;N=C(N)C(N)C(N)C(F)F;NNESCVDBMYPXSU-UHFFFAOYSA-N;152.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253828;MM253828;CC(C)C(N)C(O)C(=N)N;JTYZWFNRNMYDAY-UHFFFAOYSA-N;145.21;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253829;MM253829;N=C(N)C(O)C(N)C(F)F;KDEPSWOGQQZJIZ-UHFFFAOYSA-N;153.13;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253830;MM253830;CC(=O)C(C)C(O)C(C)C;BNHMGUBZKOAJCU-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253831;MM253831;CC(C)C(O)C(C)C(N)=O;INLHIWDROMGPPJ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253832;MM253832;CC(=O)C(C)C(O)C(C)O;FLLNVJJCLOZWCX-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253833;MM253833;CC(=O)C(C)C(O)C(F)F;JALCCLGZQJRHCP-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253834;MM253834;C=C(C)C(N)C(O)C(C)O;CNDJZIBEAYQDFY-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253835;MM253835;CC(O)C(O)C(N)C(=N)N;VCSXJRPYUGFTHK-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253836;MM253836;N=C(N)C(N)C(O)C(F)F;MNHYDTNIQSHHIK-UHFFFAOYSA-N;153.13;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253837;MM253837;C#CC(O)C(=NO)C(=C)F;YOGSJUJVPMMCJA-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253838;MM253838;C=C(F)C(O)C(O)C(C)C;UJQVUPDOHRQLSV-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253839;MM253839;C=C(C)C(O)C(O)C(C)N;JYEGCBBKMLVTBI-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253840;MM253840;CC(N)C(O)C(O)C(=N)N;VRNGJEXJCWMYAK-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253841;MM253841;C=C(C)C(O)C(O)C(C)O;BTWZKJMMVNJWJU-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253842;MM253842;CC(=O)C(O)C(O)C(C)O;DFQUTANVBPRYRI-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253843;MM253843;CC(O)C(O)C(O)C(=N)N;SPDBMSSIZRBHOH-UHFFFAOYSA-N;148.16;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253844;MM253844;CC(=O)C(O)C(O)C(C)F;FGEZNPCPIIXQEB-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253845;MM253845;C=C(C)C(O)C(O)C(F)F;KQSSRAMAIQROHQ-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253846;MM253846;C=C(C)C(F)C(O)C(C)C;NEUMRMFNCMUFAQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253847;MM253847;CC(=O)C(F)C(O)C(C)C;CCXHYRCJGRJFKG-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253848;MM253848;CC(N)C(O)C(F)C(=N)N;JYUGWGAPDQFBOR-UHFFFAOYSA-N;149.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253849;MM253849;C=C(F)C(F)C(O)C(C)N;DAUGQGHEGSYGND-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253850;MM253850;C=CC1C=CC(=O)N1;HBYIMIZOPILTET-UHFFFAOYSA-N;109.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253851;MM253851;CC(=O)C(C)C(F)C(C)C;RZDUVRJWFRSELF-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253852;MM253852;CC(C)C(F)C(C)C(N)=O;PCKIFZWUBKHZIZ-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253853;MM253853;CC(C)C(F)C(C)C(=O)O;NTQQCZVUMFGBND-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253854;MM253854;C=C(C)C(C)C(F)C(C)N;MUQDKPOBUGXXSW-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253855;MM253855;CC(F)C(F)C(C)C(N)=O;WMGGROPRUNUJAE-UHFFFAOYSA-N;151.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253856;MM253856;C=C(C)C(C)C(F)C(F)F;HTFDQDKJQBRULB-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253857;MM253857;C=C(C)C(F)C(F)C(C)C;ABPBWPJWFSPCLF-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253858;MM253858;C=C(C)C(F)C(F)C(C)N;QIRDTRKDLHZYFD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253859;MM253859;C=C(C)C(C)C(C)N(C)C;LTGMCAKKTOGYMW-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253860;MM253860;CC(=O)C(C)C(C)N(C)C;XVYLGLMTEZPIQC-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253861;MM253861;CC(=N)N(C)C(C)C(C)C;JJTHQHMFESPFSJ-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253862;MM253862;CC(=O)N(C)C(C)C(C)C;UKIXINWNFAAUNE-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253863;MM253863;CC(=N)N(C)C(C)C(C)N;SECPYFDVQHFTNS-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253864;MM253864;CC(=N)N(C)C(C)C(C)F;VHISVKBLVCUTLT-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253865;MM253865;CC(=O)N(C)C(C)C(C)F;OARKUTHUFCHVSJ-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253866;MM253866;CC(=N)N(N)C(C)C(C)C;RPMIYBWYCNKGDU-UHFFFAOYSA-N;143.23;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253867;MM253867;CC(=N)N(O)C(C)C(C)C;QUMKMXWTRBIBDY-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253868;MM253868;C=C(C)C(C)N(C)C(C)C;PIIYVAYMHIUYRH-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253869;MM253869;CC(C)N(C)C(C)C(=N)N;ZACPOLSTINOLQH-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253870;MM253870;C=C(C)C(C)C(C)C(=C)C;PSELWIOTORJGPG-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253871;MM253871;C=C(C)C(C)C(C)C(C)=O;OQUIWXKOVPDRTM-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253872;MM253872;C=C(C)C(C)C(C)C(=N)N;YCBMISSQOKSEGS-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253873;MM253873;C=C(C)C(C)C(C)C(=O)O;JZVMHZKFVYZSGE-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253874;MM253874;CC(=O)C(C)C(C)C(C)=O;GECZPGNLQXZLFU-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253875;MM253875;CC(=NO)C(F)C#N;LMHDFCCCAWVOMB-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253876;MM253876;C=C(F)C(C)C(C)C(C)=O;ZPGPKIKAWDNTAC-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253877;MM253877;C=C(F)C(C)C(C)C(=N)N;KBMUMHGSSGWTKH-UHFFFAOYSA-N;144.19;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253878;MM253878;CN(C)NC(=O)C(F)(F)F;TUVIMUKVMZUAEM-UHFFFAOYSA-N;156.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253879;MM253879;CN1C(C#CC=O)C1CO;FWMHVOUTPBKFAL-UHFFFAOYSA-N;139.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253880;MM253880;CC(C(=O)O)C(C)C(=O)O;KLZYRCVPDWTZLH-UHFFFAOYSA-N;146.14;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253881;MM253881;C=C(F)C(C)C(C)C(=O)O;MABNFYNUTJBENP-UHFFFAOYSA-N;146.16;1.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253882;MM253882;C=C(C)C(C)C(N)C(=C)C;HKNAHOBPRNSUMP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253883;MM253883;C=C(C)C(C)C(N)C(=N)N;KVEVTWPBHNRXPY-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253884;MM253884;C=C(C)C(C)C(N)C(=C)F;WHKCMNASWVTWCG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253885;MM253885;C=C(F)C(N)C(C)C(=N)N;MDSYRSPDQSTIDS-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253886;MM253886;C=C(F)C(C)C(N)C(=C)C;AWDRUGWCIFFMBW-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253887;MM253887;C=C(C)C(C)C(O)C(N)=O;XIZPWTRSOHWJET-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253888;MM253888;CC(=O)C(C)C(O)C(C)=O;BDJIDAHXOAZMLT-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253889;MM253889;C=C(F)C(O)C(C)C(C)=O;GSUZGODJSCWRSA-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253890;MM253890;C=C(F)C(O)C(C)C(N)=O;MPLLWJSVUXBZQZ-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253891;MM253891;Nn1nc(F)c(=O)nc1O;PPHHGMNHPGENKI-UHFFFAOYSA-N;146.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253892;MM253892;C=C(C)C(C)C(F)C(=O)O;FXFSMCODIZOMNJ-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253893;MM253893;C=C(C)C(F)C(C)C(C)=O;KQKMHXUIKZZKIR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253894;MM253894;CC(=O)C(C)C(F)C(C)=O;OVARSCHAMGAVFK-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253895;MM253895;C=C(C)C(F)C(C)C(=N)N;QPVDRWJNUFTHCR-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253896;MM253896;C=C(C)C(F)C(C)C(N)=O;FVXJMYJHHMIMKY-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253897;MM253897;C=C(C)C(F)C(C)C(=O)O;BNGTUHPPNOMRPK-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253898;MM253898;Nn1ncc(O)c1F;BRQJFXHOWDUUNE-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253899;MM253899;C=C(F)C(F)C(C)C(=O)O;ZYGKYJOCTGYYAU-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253900;MM253900;N=C(N)C(N)C(N)C(=N)N;JRDUQOJWYVWJFL-UHFFFAOYSA-N;144.18;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253901;MM253901;C=C(C)C(N)C(O)C(=C)F;JMTCTQVRCKMYJL-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253902;MM253902;N=C(N)C(N)C(O)C(=N)N;NCEZDOKCKKJWOZ-UHFFFAOYSA-N;145.17;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253903;MM253903;C=C(F)C(O)C(N)C(=N)N;GOLVVSUWAFCJQI-UHFFFAOYSA-N;147.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253904;MM253904;C=C(C)C(N)C(F)C(=C)C;YJSIJTCHWQAABW-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253905;MM253905;N=C(N)C(N)C(F)C(N)=O;RCDOEQISMXKQBW-UHFFFAOYSA-N;148.14;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253906;MM253906;CC(=O)C(O)C(O)C(C)=O;RQDWELNLPMBYMA-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253907;MM253907;C=C(F)C(O)C(O)C(C)=O;HPJDVGPSBHXBSL-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253908;MM253908;N=C(N)C(O)C(O)C(=N)N;DSCGLMFRVZXUKG-UHFFFAOYSA-N;146.15;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253909;MM253909;N=C(N)C(O)C(O)C(N)=O;QDRCVWVCFHYPFV-UHFFFAOYSA-N;147.13;-2.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253910;MM253910;C=C(F)C(O)C(O)C(=N)N;JPKAUOIOOTUHNQ-UHFFFAOYSA-N;148.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253911;MM253911;NC(=O)C(O)C(O)C(N)=O;GRMNJXQBRPJVQV-UHFFFAOYSA-N;148.12;-3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253912;MM253912;O=C(O)C=CNCCF;MRCGCKUXTXGULM-UHFFFAOYSA-N;133.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253913;MM253913;C=C(F)C(O)C(O)C(N)=O;GVZTXSPNMYIXOH-UHFFFAOYSA-N;149.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253914;MM253914;CC=NOC(C)CC(=O)O;BBZRHBGFUJGFJQ-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253915;MM253915;C=C(F)C(O)C(O)C(=C)F;KRTXPNAKSXTYBL-UHFFFAOYSA-N;150.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253916;MM253916;C=C(C)C(O)C(F)C(N)=O;GCFXOMALDBUGCV-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253917;MM253917;CC(=O)C(O)C(F)C(N)=O;LVPCGUTURAHYSF-UHFFFAOYSA-N;149.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253918;MM253918;C=NNC(C)=CC(=O)O;ICNRYUKUSDSMRV-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253919;MM253919;N=C(N)C(O)C(F)C(=N)N;UACSUHHOSVNTLZ-UHFFFAOYSA-N;148.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253920;MM253920;N=C(N)C(O)C(F)C(N)=O;DFZHCUSJIWYLLZ-UHFFFAOYSA-N;149.13;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253921;MM253921;NC(=O)C(O)C(F)C(N)=O;BODOOYWCPWVLNV-UHFFFAOYSA-N;150.11;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253922;MM253922;CC=NN(C)CC(=O)O;XQAJEWXAAWVESY-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253923;MM253923;C=NN(C)C(C)C(=O)O;WHTHNGLTEFXWIB-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253924;MM253924;C=NOCC(C)(C)C(=O)O;BHYQBQYIGJWYPD-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253925;MM253925;C=C(C)C(F)C(F)C(C)=O;HMLVGDXBLNHARG-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253926;MM253926;C=C(C)C(F)C(F)C(=C)F;ZHVNCGSEARRQJK-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253927;MM253927;CC(=O)C(F)C(F)C(C)=O;NONOZYIDTKGVOI-UHFFFAOYSA-N;150.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253928;MM253928;C=C(C)C(C)N(C)C(C)=N;OBMSINFRFFYVEM-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253929;MM253929;C=C(C)C(C)N(C)C(C)=O;HURFORRDCBOIDI-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253930;MM253930;OCC1=CN=C(CF)NC1;LTXFFXBBKCXUEF-UHFFFAOYSA-N;144.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253931;MM253931;CC(=O)C(C)N(C)C(=N)N;LRERESIFNIEGME-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253932;MM253932;Cc1c(C#N)[nH]oc1=O;XYOMXBZPRJBJFM-UHFFFAOYSA-N;124.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253933;MM253933;C=C(F)C(C)N(C)C(C)=N;ACFBQOVWMUOTPJ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253934;MM253934;C=C(F)C(C)N(C)C(C)=O;UJJAAZJNQDNQCW-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253935;MM253935;C=C(F)C(C)N(C)C(N)=O;IFCACVRPOMIOPN-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253936;MM253936;C=C(C)C(C)N(N)C(C)=O;SKQBICQQVHVDDT-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253937;MM253937;C=C(C)C(C)N(O)C(C)=N;HSVRVCQJIJXWCM-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253938;MM253938;CC(=O)C(C)N(O)C(N)=O;UTMWASPSBXBJDT-UHFFFAOYSA-N;146.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253939;MM253939;CC(=N)N(C)N(C)C(C)=O;WLMVBTMLASBNQR-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253940;MM253940;CC(=N)N(C)N(C)C(=N)N;CVVGJNCRCFKCLE-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253941;MM253941;CC(=N)N(C)N(C)C(N)=O;WJAANVAFKIZMAI-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253942;MM253942;CC(=O)N(C)N(C)C(C)=O;VGXGKZRQYHJZJV-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253943;MM253943;CC(=O)N(C)N(C)C(=N)N;QMKILCVXRXLXAN-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253944;MM253944;C=C(C(C)C)C(C)C(C)C;CCWYQEJCLBJJFU-UHFFFAOYSA-N;140.27;3.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253945;MM253945;C=C(C(C)N)C(C)C(C)C;VDNQZUSBQLPLTH-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253946;MM253946;C#CC1NC1CO;CYLCWODHKPWEHG-UHFFFAOYSA-N;97.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253947;MM253947;C=C(C(C)C)C(C)C(C)N;RWLKJZNTFWTTFD-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253948;MM253948;C=C(C(C)F)C(C)C(C)N;HSXNXUHCLDTJJP-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253949;MM253949;C=C(C(F)F)C(C)C(C)N;VZDSNEKXXKSDNC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253950;MM253950;OCC1CC=NN1;PTZRCQMKPCTOCP-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253951;MM253951;C=C(C(C)N)C(C)C(C)F;FKUZHBYYVHCFSH-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253952;MM253952;C=C(C(C)O)C(C)C(C)F;GTVDKGFDBGXDOB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253953;MM253953;C=C(C(C)F)C(C)C(C)F;QMZCVNUPSADWNA-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253954;MM253954;C=C(C(F)F)C(C)C(C)F;KAMAZSADZHRWDI-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253955;MM253955;C=C(C(C)C)C(C)C(F)F;IEVYSXIJAPLVOO-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253956;MM253956;C=C(C(C)F)C(C)C(F)F;ZVRFRZNMRNKXAY-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253957;MM253957;C=C(C(C)F)C(N)C(C)C;JFVUCJVHZUTWOV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253958;MM253958;C=C(C(F)F)C(N)C(C)C;FJOAVZCBUNLUQF-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253959;MM253959;C=C(C(C)C)C(N)C(C)O;WMLVKNWDWYQTPG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253960;MM253960;C=C(C(F)F)C(N)C(C)O;BVZRWAOHRLCHCK-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253961;MM253961;C=C(C(C)C)C(N)C(C)F;SQZCUDNXHHLFJZ-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253962;MM253962;C=C(C(C)F)C(N)C(C)F;FLMGXELDQMNLMT-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253963;MM253963;C=C(C(C)N)C(O)C(C)N;QAAPBGIMUCOYLY-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253964;MM253964;C=C(C(C)O)C(O)C(C)N;IPUQNZJJDPTDFH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253965;MM253965;C=C(C(F)F)C(O)C(C)N;XVUUTXQHPHTNAX-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253966;MM253966;C=C(C(C)N)C(O)C(C)O;ACYOBFBFYWAKGI-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253967;MM253967;C=C(C(C)F)C(O)C(C)O;SRMXHTDVGRGNMW-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253968;MM253968;CC(O)C(=O)C(O)C(C)O;FDTIIDYFOGWXFM-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253969;MM253969;CC(F)C(O)C(=O)C(F)F;JREBCPCGPVZWHZ-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253970;MM253970;C=C(C(C)N)C(F)C(C)C;UMWAWVDCXVLWHS-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253971;MM253971;C=C(C(C)C)C(F)C(C)N;ZMQRAWWFINRRLB-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253972;MM253972;CC(C)C(C)C(=N)N(C)N;BHXFIAXQROJBNN-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253973;MM253973;CC(N)C(C)C(=N)N(C)C;IKQSZKFYPZCKQL-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253974;MM253974;CC(N)C(C)C(=N)N(C)O;MZYOVCCCUFFDQQ-UHFFFAOYSA-N;145.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253975;MM253975;CC(O)C(C)C(=N)N(C)O;URBSMHPBTGLGJY-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253976;MM253976;CC(N)C(C)C(=O)N(C)C;QOWSVOXZYMMXDL-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253977;MM253977;CC(C)C(N)C(=N)N(C)C;LDJBCCNVZVAVHW-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253978;MM253978;CC(F)C(N)C(=N)N(C)C;STGBYORCXCSLLY-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253979;MM253979;CC(F)C(O)C(=N)N(C)N;GYQKNGVWSVTGMY-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253980;MM253980;CC1=NNC(CO)C1;GSGAFZGJVNQCDJ-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253981;MM253981;CC(F)C(O)C(=O)N(C)C;FJRPWVMEVABTAK-UHFFFAOYSA-N;149.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253982;MM253982;CN1C(C=O)C1CO;KUCDWCMLEDEMRH-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253983;MM253983;CN(N)C(=O)C(O)C(F)F;AWAVEHUDBDZFGJ-UHFFFAOYSA-N;154.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253984;MM253984;CC#CC1NC1CO;FBAONHKAFZTLEF-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253985;MM253985;C=C(C(C)C)C(C)N(C)C;YGZGBSPFDILDAB-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253986;MM253986;CC(C)C(=O)N(C)C(C)C;MEGAKIOVGGTJFY-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253987;MM253987;C=NOCCOC(N)=O;HEYCPFCNSCINJS-UHFFFAOYSA-N;132.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253988;MM253988;N=C(NCC=O)C(N)=O;SRRACQQAJSGPMY-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253989;MM253989;CC(O)C(=N)N(C)N(C)C;HSRRLUPXGUQMEN-UHFFFAOYSA-N;145.21;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253990;MM253990;C=CC1(C)C(CO)N1C;OUPAQHKLRUKWBI-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253991;MM253991;CN(N)C(=N)N(C)N(C)C;KISBKGQTBSJCIZ-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253992;MM253992;C=C(C)C(=C)C(C)C(C)C;FNPQCCCMJAWFDU-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253993;MM253993;C=C(C)C(=C)C(C)C(C)N;GRFSKKJINWSALG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253994;MM253994;C=C(C(=N)N)C(C)C(C)N;KQADZEHVCMYARV-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253995;MM253995;C=C(C(N)=O)C(C)C(C)N;RRWMMQDKDHDTBR-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253996;MM253996;CC(CCC=O)C(=O)O;HKHIDJPZKVXQFU-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253997;MM253997;C=C(C(C)=O)C(C)C(C)F;NXQYQZDLDRZAEX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253998;MM253998;C=C(C(=N)N)C(C)C(C)F;DNEMYTWTDUCENR-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM253999;MM253999;CC=C1CC(=O)C(=N)N1;WTXVMUCWUBVWQL-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254000;MM254000;C=C(C(=O)O)C(C)C(C)F;HCKWSXXWJRWCSY-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254001;MM254001;C=C(C(C)=O)C(C)C(F)F;YEWAAHQHEXOTGF-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254002;MM254002;C=C(C)C(=O)C(C)C(C)C;ZHQIGDALIGSIPS-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254003;MM254003;CC(=O)C(=O)C(C)C(C)C;QBSFQHRBFFVEDJ-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254004;MM254004;C=C(C)C(=O)C(C)C(C)F;HDZGXABYDOQICP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254005;MM254005;CC(=O)C(=O)C(C)C(C)F;LCTJPQLQRLIUCM-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254006;MM254006;C=C(F)C(=O)C(C)C(C)F;BQOFLEXKAIMAKM-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254007;MM254007;C=C(C)C(=O)C(C)C(F)F;ROQCQPLJGOXUDQ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254008;MM254008;C=C(C)C(=C)C(N)C(C)C;VYVFJPAPVOKIEH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254009;MM254009;C=C(C(N)=O)C(N)C(C)C;GIYUWCLEVLXOSF-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254010;MM254010;C=C(C)C(=C)C(N)C(C)F;UJSIOOQQOLYCMF-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254011;MM254011;C=C(C(C)=O)C(O)C(C)C;NVWLYPGCOZGDDY-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254012;MM254012;C=C(C)C(=C)C(O)C(C)O;YWVDKIUUZQPZQK-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254013;MM254013;C=C(C(N)=O)C(O)C(C)F;WIXJBKFRDWXFCU-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254014;MM254014;O=c1cc(O)on(O)c1=O;DZVFHGGTDYCSEF-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254015;MM254015;C=C(C)C(=O)C(O)C(C)C;IWLKWFPWGLHJJW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254016;MM254016;CC(=O)C(=O)C(O)C(C)O;AIPDLMFOMKZWOH-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254017;MM254017;CC1=NNC(CO)C1C;ABAAXPCIEBQFKI-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254018;MM254018;C=C(F)C(=O)C(O)C(C)F;FNZQOIOLJFTGRZ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254019;MM254019;C=C(C(C)=O)C(F)C(C)C;BKTCQZMIWHEUHG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254020;MM254020;C=C(C)C(=O)C(F)C(C)C;XKYXMICGEUOILX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254021;MM254021;COc1onc(N)c1N;DCCQRVCJEULPNX-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254022;MM254022;CC(C)C(F)C(=O)C(N)=O;POGXYZRANTZZRI-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254023;MM254023;C#CC(=O)C(C#N)NC;JZNWZYHWCLZWGV-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254024;MM254024;C=C(C)C(=C)C(C)N(C)C;TZZZFJLHEAGOHR-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254025;MM254025;C=C(C(N)=O)C(C)N(C)C;FKLFWCVYEARNFL-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254026;MM254026;CC(=O)C(=O)N(C)C(C)C;LMTHVCCRBZRMIN-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254027;MM254027;C=C(F)C(=O)N(N)C(C)C;SVGKIQKZBUHXST-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254028;MM254028;C=COC(=C)CC(=O)O;MLQYFQZWLCLJCI-UHFFFAOYSA-N;128.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254029;MM254029;C=C(COC=CC)C(=O)O;QBYRPVFVQMNYKX-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254030;MM254030;C=C(C)C(C)C(=C)C(C)C;LWDYULJMYFLFEA-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254031;MM254031;C=C(C)C(C)C(=C)C(C)N;QJAJOOODGLCPCG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254032;MM254032;C=C(C(C)C)C(C)C(C)=O;CGIAXCUKESPDHN-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254033;MM254033;C=C(C(C)C)C(C)C(=N)N;PGHQMNKLVREOPA-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254034;MM254034;C=C(C(C)F)C(C)C(=N)N;HYXGEBUGWDJBEQ-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254035;MM254035;C#CCNC(C#N)C#N;FVHQFCBFAWBNNO-UHFFFAOYSA-N;119.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254036;MM254036;C=C(C(C)F)C(C)C(N)=O;YDWCQRIBFSXBNR-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254037;MM254037;C=C(C(F)F)C(C)C(N)=O;SPUDXGWOLBIREL-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254038;MM254038;C=C(C(C)C)C(C)C(=O)O;PJAKHUYLRBQXSU-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254039;MM254039;C=C(C(C)F)C(C)C(=O)O;DSTIHZOVGDLGGC-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254040;MM254040;C=C(C)C(C)C(=O)C(C)C;KBJSZOSCHHNTTO-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254041;MM254041;C=C(C)C(C)C(=O)C(C)F;BHJDKVNWFOYGDQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254042;MM254042;C=C(C)C(C)C(=O)C(F)F;NNXVACABZRJKNV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254043;MM254043;CC(=O)C(C)C(=O)C(C)O;BKQGZASYNUWFEK-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254044;MM254044;CC(C(N)=O)C(=O)C(F)F;LIBPHZLZWNSHBE-UHFFFAOYSA-N;151.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254045;MM254045;C=C(C)C(N)C(=C)C(C)N;VCKDZMKVJPNNIS-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254046;MM254046;C=C(C)C(N)C(=C)C(C)O;ZJQXNVFBRFUDQL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254047;MM254047;C=C(C)C(N)C(=C)C(F)F;JZPRQGSCJPOYEE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254048;MM254048;C=C(C(F)F)C(O)C(=N)N;PXAWABKJGBGWHG-UHFFFAOYSA-N;150.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254049;MM254049;CC(O)C(=O)C(O)C(=N)N;YQSWVJICVCCOKG-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254050;MM254050;CC(C)C(=O)C(O)C(N)=O;YXIQZNHCVLGNOL-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254051;MM254051;C=C(F)C(O)C(=O)C(C)C;XOYMPXUOYSCMHQ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254052;MM254052;C=C(F)C(O)C(=O)C(C)O;PYMZYJZWBOXUIP-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254053;MM254053;C=C(F)C(O)C(=O)C(C)F;BNHHAZKHQDXJNA-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254054;MM254054;C=C(C(C)C)C(F)C(C)=O;MQEIFOHVLDTTQI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254055;MM254055;C=C(C(C)F)C(F)C(C)=O;IYWJWILOFHFPRZ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254056;MM254056;C=C(C(C)C)C(F)C(=O)O;XZXJEOCWIBFJAP-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254057;MM254057;C=C(C)C(F)C(=O)C(C)F;CRTKQZRIZDVSAE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254058;MM254058;CC(O)C(=O)C(F)C(N)=O;LOWCRXLKJKLJDW-UHFFFAOYSA-N;149.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254059;MM254059;C=C(C)C(C)C(=N)N(C)C;VOUDIJFDJLSHPJ-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254060;MM254060;CC(=O)C(C)C(=N)N(C)C;ZYZAGXRUJCWISA-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254061;MM254061;C=C(C)C(C)C(=O)N(C)N;NZBIAFHVTHLHLP-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254062;MM254062;C=C(C)C(C)C(=O)N(C)O;KGZJSHNURWJMHR-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254063;MM254063;CC(=O)C(C)C(=O)N(C)C;PPUURUJMSXGDPC-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254064;MM254064;CN(C)C(=N)C(N)C(=N)N;NWPGDMROJFFYJO-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254065;MM254065;CN(C)C(=N)C(N)C(N)=O;WBBMCGBQDOWMEE-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254066;MM254066;CN(C)C(=O)C(N)C(=N)N;LBAMRESPONABKB-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254067;MM254067;C=C(C)C(O)C(=N)N(C)C;MTLXRYPXAMATDJ-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254068;MM254068;C=C(C)C(O)C(=N)N(C)N;KAYQDLJTFMEZME-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254069;MM254069;CC(=O)C(O)C(=N)N(C)C;HOPHIUKJRWJKSR-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254070;MM254070;CN(O)C(=N)C(O)C(=N)N;VTVJFNZERVNYDK-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254071;MM254071;CN(C)C(=N)C(O)C(N)=O;IPXLHMUJFZBFPC-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254072;MM254072;C=CCONC(=O)C(N)=O;CDGUEEKNTPELQY-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254073;MM254073;C=C(F)C(O)C(=N)N(C)N;DMEHZYGJJZYJTQ-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254074;MM254074;CC(=O)C(O)C(=O)N(C)C;BASUMFNOPUINSN-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254075;MM254075;CN(C)C(=O)C(O)C(=N)N;HVJDNJBMCHOKCS-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254076;MM254076;CCC1=NNC(CO)C1;NTNIPRCBCWVTAR-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254077;MM254077;OCC1CC(CF)=NN1;LLLQKWBAXGCDJR-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254078;MM254078;COC1=NNC(CO)C1;XXSBMSWKDQHNBZ-UHFFFAOYSA-N;130.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254079;MM254079;COC1=NCC(CO)N1;XFQNEAXFOZTZDU-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254080;MM254080;CN(C)C(=O)C(F)C(N)=O;BITMPWHQBZHBCU-UHFFFAOYSA-N;148.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254081;MM254081;C=C(F)C(F)C(=O)N(C)N;CWYWUKWFPRYIHC-UHFFFAOYSA-N;150.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254082;MM254082;C=C(C(C)C)N(C)C(C)=O;ONWYTVUEAXDXOM-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254083;MM254083;C=C(C(C)N)N(C)C(C)=O;DCIJBHGUNYVNRG-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254084;MM254084;CC(=N)N(C)C(=N)C(C)O;YBFDGRJERLXFGQ-UHFFFAOYSA-N;143.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254085;MM254085;CC(=O)N(C)C(=N)C(F)F;GOLSCRCKPCZSQS-UHFFFAOYSA-N;150.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254086;MM254086;CC(N)C(=N)N(C)C(=N)N;YYFHSXXMYIOKKC-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254087;MM254087;CC(F)C(=N)N(C)C(=N)N;RLYJDCIGDYGXRP-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254088;MM254088;C=CC1=NNC(CO)C1;XLSDBXUUEMDWHH-UHFFFAOYSA-N;126.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254089;MM254089;O=CC1=NNC(CO)C1;YKPZQZZSVROSKM-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254090;MM254090;N#CC1=NNC(CO)C1;INCYMXMGYSPDKJ-UHFFFAOYSA-N;125.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254091;MM254091;CC(=N)N(C)C(=O)C(F)F;VLSSWWIHACDUFV-UHFFFAOYSA-N;150.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254092;MM254092;CC(=O)N(C)C(=O)C(C)O;QQNGHGUVFNBHQU-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254093;MM254093;CC(=O)N(C)C(=O)C(C)F;ZLPQZTKCZKUTSR-UHFFFAOYSA-N;147.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254094;MM254094;CC(N)C(=O)N(C)C(=N)N;HQKZTYOYQIQSCU-UHFFFAOYSA-N;144.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254095;MM254095;CC(F)C(=O)N(C)C(=N)N;ZXVDNAZZHOBUCE-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254096;MM254096;CC(F)C(=O)N(C)C(N)=O;HWMPLOMJKRDGGX-UHFFFAOYSA-N;148.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254097;MM254097;C=C(C(C)C)N(N)C(C)=N;YRFWCYPKHIGKID-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254098;MM254098;N#CC1=NCC(CO)N1;NBEBSYBDDKCJPN-UHFFFAOYSA-N;125.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254099;MM254099;C=C(C(C)O)N(N)C(=N)N;JVHPXEZSRUWVIK-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254100;MM254100;CC(=O)N(N)C(=N)C(C)F;DWHUQHPZMOQPRC-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254101;MM254101;CC(O)C(=N)N(N)C(=N)N;ALUUJGBQHYXTIV-UHFFFAOYSA-N;145.17;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254102;MM254102;C#CC1=NNC(CO)C1;GDFIIXJVAZNWML-UHFFFAOYSA-N;124.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254103;MM254103;NN=C1CC(CO)=CO1;BJRDWCQZLXTVDQ-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254104;MM254104;CCC#CC1NC1CO;JGFXMBUFVZQTRE-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254105;MM254105;CC(=N)N(N)C(=O)C(C)C;DRIFSEZWQDRNKC-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254106;MM254106;C=CC#CC1NC1CO;OMVUVKAIURXQKZ-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254107;MM254107;N#CC#CC1NC1CO;IRZINASKVUQPHO-UHFFFAOYSA-N;122.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254108;MM254108;CC(O)C(=O)N(N)C(=N)N;CGGSJYXITPAPQV-UHFFFAOYSA-N;146.15;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254109;MM254109;CC(F)C(=O)N(N)C(=N)N;YZSVHJYRIFDZLC-UHFFFAOYSA-N;148.14;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254110;MM254110;NC(=O)N(N)C(=O)C(F)F;WHGJMPFYAQANOO-UHFFFAOYSA-N;153.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254111;MM254111;C=C(C(C)C)N(O)C(C)=N;WSMDRWJZOHRXEP-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254112;MM254112;C=C(C(C)N)N(O)C(=N)N;GFKHTMVKFXZDRN-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254113;MM254113;CC(N)C(=N)N(O)C(=N)N;JCVNWZIHQNUVNQ-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254114;MM254114;CC(O)C(=N)N(O)C(=N)N;CHBIUKCZFJFZTE-UHFFFAOYSA-N;146.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254115;MM254115;CC(F)C(=N)N(O)C(=N)N;MPGLYQRLUZAKQE-UHFFFAOYSA-N;148.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254116;MM254116;CC(O)C(=N)N(O)C(N)=O;JDSPASCVGRTDES-UHFFFAOYSA-N;147.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254117;MM254117;CC(=N)N(C)C(=O)N(C)C;MJHZNGKIBWKCJT-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254118;MM254118;CC(=N)N(C)C(=O)N(C)N;FJVOHYATHDOPRO-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254119;MM254119;CC(=N)N(C)C(=O)N(C)O;CREVDRLHNLOKJJ-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254120;MM254120;CC(=O)N(C)C(=O)N(C)N;BVVBMYRAIPAEFW-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254121;MM254121;CC(=N)N(N)C(=N)N(C)N;WLZGFAJOPSSITL-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254122;MM254122;CC(=N)N(N)C(=N)N(C)O;JOONLPGQTOZDBW-UHFFFAOYSA-N;145.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254123;MM254123;CC(=O)N(N)C(=N)N(C)N;NRRBEKGGAJZNOK-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254124;MM254124;CN(O)C(=N)N(N)C(=N)N;QKLMFCRSLWONEX-UHFFFAOYSA-N;146.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254125;MM254125;CC(=N)N(N)C(=O)N(C)N;KCYHFFWJGUEILK-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254126;MM254126;CC(=N)N(N)C(=O)N(C)O;WSLUOOXNIMDVSC-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254127;MM254127;CC(=O)N(N)C(=O)N(C)C;MREMVDGKMGKFEZ-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254128;MM254128;CC(=O)N(N)C(=O)N(C)N;DCBIROWUGHYRJH-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254129;MM254129;CC(=O)N(N)C(=O)N(C)O;WIPRMUFJMIZDSA-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254130;MM254130;CC(=N)N(O)C(=N)N(C)N;MLGXOGDISGTRRR-UHFFFAOYSA-N;145.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254131;MM254131;CC(=N)N(O)C(=O)N(C)C;PTTXMCDYZQSWAN-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254132;MM254132;C=C(C)C(=C)C(C)C(=C)C;IMYIUSUKOKXPRH-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254133;MM254133;C=C(C)C(C)C(=C)C(C)=O;HCOHUPKVXKZGEN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254134;MM254134;C=C(C(C)=O)C(C)C(C)=O;PXIRPOLUCSVDNZ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254135;MM254135;C=C(F)C(=C)C(C)C(=N)N;BETZBTCNNQTAAE-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254136;MM254136;C#CC#CC1NC1CO;HFHVNLINKYQONZ-UHFFFAOYSA-N;121.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254137;MM254137;C=C(C)C(=C)C(C)C(=O)O;DAGVXEDQKFHLHF-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254138;MM254138;C=C(F)C(C)C(=C)C(C)=O;WCHDRFVZVRWOJZ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254139;MM254139;C=C(F)C(C)C(=C)C(=N)N;VTOSILQNPNJKNH-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254140;MM254140;C=C(F)C(=O)C(C)C(=C)C;JMSKVXZQOHUCOV-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254141;MM254141;C=C(C)C(=O)C(C)C(C)=O;UHXGDMKOZOQGNT-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254142;MM254142;C=C(F)C(=O)C(C)C(=N)N;ISRZHBMUSOFLDI-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254143;MM254143;C=C(F)C(=O)C(C)C(N)=O;YCIQZUJQXBJWHT-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254144;MM254144;C=C(C)C(=O)C(C)C(=C)F;UHDSDEXKJNKCEA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254145;MM254145;C=C(C)C(O)C(=C)C(=N)N;ZCSGCUDFJFHOOT-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254146;MM254146;C=C(C)C(O)C(=C)C(N)=O;IIUXUDLCZXNOMJ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254147;MM254147;C=C(C(C)=O)C(O)C(C)=O;NPQYAKWALBOXOL-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254148;MM254148;C=C(C(C)=O)C(O)C(=N)N;ZKQHEJFPLSZFFZ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254149;MM254149;C=C(C(C)=O)C(O)C(N)=O;YBVGSNRDTBXBTM-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254150;MM254150;CC1(CCC(=O)O)CO1;YABQMJDPFOQUOE-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254151;MM254151;C=C(C)C(=O)C(O)C(C)=O;VEFNAPIGGMMNOX-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254152;MM254152;CC(=O)C(O)C(=O)C(N)=O;RBBLPNMTOSMIRP-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254153;MM254153;C=C(C)C(=O)C(O)C(=N)N;ZKVNDFHKBVSYCY-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254154;MM254154;C=C(C)C(=O)C(O)C(N)=O;CGWUTZNHXZNVIQ-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254155;MM254155;NC(=O)C(=O)C(O)C(N)=O;OZRKCCDHTLQTOP-UHFFFAOYSA-N;146.1;-3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254156;MM254156;C=C(COCC)C(=O)O;IZNVNFGCUTXHEH-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254157;MM254157;O=CCONC(=O)CO;CKUDOUPWHGWDBC-UHFFFAOYSA-N;133.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254158;MM254158;C=C(C)C(F)C(=C)C(C)=O;HSHRLVOGWVDDPW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254159;MM254159;C=C(C)C(=C)C(F)C(C)=O;ROLFYXZODCESSW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254160;MM254160;C=C(C(C)=O)C(F)C(C)=O;LLACUCNGZDEMNI-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254161;MM254161;C=C(C(=N)N)C(F)C(C)=O;UXOFDKOJZPJWBP-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254162;MM254162;C=C(C)C(=O)C(F)C(=C)C;DUFNCLFHBCIMGW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254163;MM254163;C=C(C)C(F)C(=O)C(C)=O;HKSAZKFROGKLKP-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254164;MM254164;C=C(C)C(=C)N(C)C(=N)N;ZUNZHKZRFSDPNO-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254165;MM254165;C=C(C)C(=N)N(C)C(=C)C;CQCLFCLBMKQEGT-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254166;MM254166;C=C(C)C(=N)N(C)C(C)=N;IZUMSSXIMLAHME-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254167;MM254167;CC(=N)N(C)C(=N)C(=N)N;OQYWXIBGBMBVPQ-UHFFFAOYSA-N;141.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254168;MM254168;C=C(F)C(=N)N(C)C(C)=N;LYZPYGYHPANHBE-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254169;MM254169;CC(=O)N(C)C(=N)C(=N)N;PMOIFAOPZLZMQL-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254170;MM254170;CC(=O)N(C)C(=N)C(N)=O;DOFLOGBSWFDGSM-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254171;MM254171;C=C(F)CONC(=O)CO;PPYKTBBUIUCHNF-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254172;MM254172;C=C(F)C(=N)N(C)C(C)=O;HRRMIUXRLJKJQU-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254173;MM254173;C=C(F)C(=N)N(C)C(=N)N;HQPRZVIPAKAMIR-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254174;MM254174;CNC(C#N)C(C)(C)CO;OUABXQBFHZXGLT-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254175;MM254175;CC(C)(CO)C(C#N)=CN;PGYGQKMZNVBIRF-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254176;MM254176;C=C(F)C(=O)N(C)C(=C)C;SKCXLRRHPWUERU-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254177;MM254177;CC(=O)N(C)C(=O)C(N)=O;YMQLNPHELWKYGO-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254178;MM254178;CCC(F)(CO)CC(=O)O;ADQDIOQBUDBNGH-UHFFFAOYSA-N;150.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254179;MM254179;C=C(F)C(=O)N(C)C(C)=O;ZDABXYLDXKPUIV-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254180;MM254180;C=C(F)C(=O)N(C)C(=N)N;YJZZENRFHOWCHK-UHFFFAOYSA-N;145.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254181;MM254181;CC(=O)C(=O)N(C)C(N)=O;VMEKQKJDHHPPIV-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254182;MM254182;C=C(C(N)=O)N(N)C(C)=N;WSAJMEGJGBUAED-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254183;MM254183;CC(=N)N(N)C(=N)C(=N)N;KSSULUCYUFSMBD-UHFFFAOYSA-N;142.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254184;MM254184;CC(=O)N(N)C(=N)C(=N)N;FQNWYBZNNFQHQT-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254185;MM254185;C=C(F)C(=N)N(N)C(=N)N;MKNIBQHPLTXRFQ-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254186;MM254186;C=C(C)C(=O)N(N)C(C)=N;UIHHEAMUSKVWJO-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254187;MM254187;CC(=N)N(N)C(=O)C(=N)N;JEMDMKPBFNNPFM-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254188;MM254188;CC(=NN)ON(C)C(N)=O;YVQDTXQNELEDTB-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254189;MM254189;CN(C=N)N=COC(N)=O;BCVHVRFNUJEWHC-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254190;MM254190;CC(=O)N(N)C(=O)C(N)=O;ONYKHYBHJJUFHN-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254191;MM254191;CC1(CC(=O)O)CC1O;NFEILAHYFUNTKF-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254192;MM254192;CC1(CO)CN(CC#N)C1;ZWLZWDIPOOURDW-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254193;MM254193;C=C(C(=N)N)N(O)C(=N)N;DZPDMCZRXWQCIC-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254194;MM254194;C=C(F)C(=C)N(O)C(=N)N;SEROUWKJZZAAMN-UHFFFAOYSA-N;145.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254195;MM254195;C=C(F)C(=C)N(O)C(N)=O;OBCUMGILFIVSJG-UHFFFAOYSA-N;146.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254196;MM254196;C=C(C)N(O)C(=N)C(=N)N;GUQXGHZLBNUFOY-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254197;MM254197;CC(=N)N(O)C(=N)C(=N)N;PELYNHZHXVFQRO-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254198;MM254198;C=NOCC(C)(CC)CO;BBWDOUPLEUXQCD-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254199;MM254199;CC1C(O)C1CC(=O)O;APXZSRNLUMSWDO-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254200;MM254200;O=C(O)CC1(CO)CC1;OVMNWDIMDCLADX-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254201;MM254201;CONC(=O)COCCO;OWTYTOLPHRGLEE-UHFFFAOYSA-N;149.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254202;MM254202;C=C(C(=C)C(C)C)C(C)C;LEGSASFVKZGZFF-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254203;MM254203;C=C(C(=C)C(C)N)C(C)C;RRDLBZQKOWCUNI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254204;MM254204;C=C(C(=C)C(C)F)C(C)C;QWOKZBJRGSNJLC-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254205;MM254205;C=C(C(=O)C(C)F)C(C)C;XJCVYTIRHYBKJQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254206;MM254206;C=C(C(=N)N(C)C)C(C)C;GADLUUILVNHQAL-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254207;MM254207;C=C(C(=N)N(C)N)C(C)C;NXFQEBWHBVZEMR-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254208;MM254208;C=C(C(=N)N(C)O)C(C)N;WZYULRMHQDPNAF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254209;MM254209;C=C(C(=O)N(C)N)C(C)C;QGECYCDCOKQAQF-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254210;MM254210;C=C(C(=O)N(C)O)C(C)C;AGQNPAJNRNQVES-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254211;MM254211;C=C(C(=O)N(C)C)C(C)N;FDGJEQQKECJXIA-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254212;MM254212;C=C(C(=O)N(C)C)C(C)O;HBINVEVDDNESLL-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254213;MM254213;CC1(CO)CNN(C=O)C1;AMSFQJZYQIWABW-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254214;MM254214;CCC(CC1(O)CC1)=NN;XWQHOBKQSLMPNE-UHFFFAOYSA-N;142.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254215;MM254215;CC(O)C(=O)C(=O)N(C)C;RMNFYFCZAJSRPH-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254216;MM254216;CN(C)C(=N)C(=N)N(C)N;CRIROKWPVOGGSE-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254217;MM254217;CN(C)C(=N)C(=N)N(C)O;YLVLLNALWLLCPY-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254218;MM254218;NC(=O)C=CC(CO)CO;RVLVRUBLVHMXGK-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254219;MM254219;C=C(C)C(=C)C(=C)C(C)C;VYWYXYKLXXSFQI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254220;MM254220;C=C(C(=C)C(C)C)C(C)=O;NJILCXUWVGGRFQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254221;MM254221;C=C(C(=C)C(C)C)C(=N)N;JDGCWOOVZFOKCE-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254222;MM254222;C=C(C)C(=C)C(=C)C(C)N;GYJYDUFGMNWCJM-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254223;MM254223;CNC(=O)CC1(C#N)CN1;ICBHHNZAHBCHSZ-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254224;MM254224;C=C(C(=C)C(C)O)C(N)=O;KWWLIVZIFQAHJH-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254225;MM254225;C=C(C(=C)C(C)F)C(C)=O;FRULIIQTDQYYLA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254226;MM254226;CC1(O)CC1CC(=O)O;WHKZQCQLASRHPF-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254227;MM254227;C=C(F)C(=O)C(=C)C(C)O;ZAHXZHSJGBBDMK-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254228;MM254228;C=C(C(=O)C(C)=O)C(C)F;SBJFRDIWCDKWQI-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254229;MM254229;C=C(C)C(=C)C(=O)C(C)O;WTRKCQLYUYZHHD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254230;MM254230;C=C(C(C)=O)C(=O)C(C)O;NYVVBARDZVEBHS-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254231;MM254231;C=C(C)C(=C)C(=O)C(C)F;CPAHQAWLPCIWST-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254232;MM254232;C=C(C(N)=O)C(=O)C(F)F;POMSCBNCAVYVER-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254233;MM254233;CC(=O)C(=O)C(=O)C(C)F;MUZIHHSKAHRHIF-UHFFFAOYSA-N;146.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254234;MM254234;CC(F)C(=O)C(=O)C(N)=O;ZAJHBYNCNPOFGV-UHFFFAOYSA-N;147.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254235;MM254235;CC(=O)C(=O)C(=O)C(F)F;JIKOVGFOSMODCR-UHFFFAOYSA-N;150.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254236;MM254236;C=C(C(=N)N)C(=N)N(C)C;AEKFDQCZMLTKJC-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254237;MM254237;C=C(C)C(=C)C(=N)N(C)N;NQWQPKMZIYTEPG-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254238;MM254238;C=C(F)C(=C)C(=N)N(C)N;NKIURTHDMFGBLC-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254239;MM254239;C=C(C)C(=C)C(=N)N(C)O;KNHQISXCMPWSMF-UHFFFAOYSA-N;140.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254240;MM254240;CNC(=O)OCCC=NN;SBWYQJBKSDYWTG-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254241;MM254241;C=C(F)C(=O)C(=N)N(C)C;VMAGTCIJNWFPIU-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254242;MM254242;CCCON=CC(=O)CF;ZIWRXMVMKBJFLT-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254243;MM254243;C=NN(C)C(CO)CCF;KNKGAJMIVLVWKA-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254244;MM254244;O=C(O)CCC1(O)CC1;SAPKYMGUSCQGEW-UHFFFAOYSA-N;130.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254245;MM254245;C=C(C)C(=C)C(=O)N(C)C;WLWPIUAOWAMPJO-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254246;MM254246;CC=NN(C=N)C(C)CO;OLRSEVIVRKHILF-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254247;MM254247;C=C(C)C(=C)C(=O)N(C)N;OSTXJOOZZFUJFR-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254248;MM254248;C=C(F)C(=C)C(=O)N(C)N;YYDBUBWDWMGZIN-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254249;MM254249;C=C(C(C)=O)C(=O)N(C)O;RBPCAGMDILFSQC-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254250;MM254250;C=C(F)C(=C)C(=O)N(C)O;DPFDSUWKAUUNAZ-UHFFFAOYSA-N;145.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254251;MM254251;C=C(C)C(=C)C(=C)C(=C)C;SOOZMLPCHZGREJ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254252;MM254252;C=C(C)C(=C)C(=C)C(C)=O;YGDRSWUROTXCPF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254253;MM254253;C=C(C)C(=C)C(=C)C(=O)O;ZRIMAHOOSNPWDK-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254254;MM254254;C=C(C(=C)C(C)=O)C(C)=O;FPFKMVBIPRRUOO-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254255;MM254255;C=C(C)C(=O)C(=C)C(C)=O;JCBNZFMBFXGLIH-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254256;MM254256;C=C(C(=N)N)C(=O)C(C)=O;FPPNTLVHRCDFIR-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254257;MM254257;C=C(C(N)=O)C(=O)C(N)=O;RQKAUOYFYWPFET-UHFFFAOYSA-N;142.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254258;MM254258;Cn1oc(O)c(F)c1=NO;DRLDZVIEDCOSGM-UHFFFAOYSA-N;148.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254259;MM254259;C=C(C)C(=O)C(=C)C(=C)F;VLYCOEYGQHVRSP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254260;MM254260;C=C(C)C(=O)C(=O)C(=C)C;VRUCELYCKMCYDG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254261;MM254261;CC(=O)C(=O)C(=O)C(C)=O;DOTFTHPAHSFNIZ-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254262;MM254262;C=C(F)C(=O)C(=O)C(C)=O;MZOUEPJLWUJSRE-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254263;MM254263;CC(C(N)=O)C(C)C(=O)O;IIXKFEKAYWUBLH-UHFFFAOYSA-N;145.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254264;MM254264;C=C(F)C(=O)C(=O)C(N)=O;KAJASNGFCODEHD-UHFFFAOYSA-N;145.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254265;MM254265;CC(C)=C(C)C(C)C(C)C;UKEKPMDWHCLADM-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254266;MM254266;CC(F)=C(C)C(C)C(C)C;DEZVUCBHPBLTOK-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254267;MM254267;CC(C)=C(C)C(C)C(C)N;BLASECXELKTXMA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254268;MM254268;CC(F)=C(C)C(C)C(C)N;FLZCBEWWZATBMB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254269;MM254269;CC(=C(F)F)C(C)C(C)N;QGYAXBYEDLXPQT-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254270;MM254270;CC(F)=C(C)C(C)C(C)O;UDMVKZKALISRFI-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254271;MM254271;CC(F)=C(C)C(C)C(C)F;VICAXPPGCUQJGD-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254272;MM254272;CC(C)=C(C)C(C)C(F)F;YFOXMBUUPOKUQE-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254273;MM254273;CC(F)=C(C)C(C)C(F)F;JKWASPSEXUTXAF-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254274;MM254274;CC(C)=C(F)C(C)C(C)C;KRVUFDSLTNUPTE-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254275;MM254275;CC(C)=C(F)C(C)C(C)N;RVCNRVSHPJEUMH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254276;MM254276;CC(C)=C(F)C(C)C(F)F;DYFFPIVYWZRVAG-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254277;MM254277;CC(C)=C(C)C(N)C(C)C;UEXQPJSZVODYHP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254278;MM254278;CC(C)=C(C)C(N)C(C)O;FAEOYVNVFLMSSF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254279;MM254279;CC(C)=C(C)C(N)C(C)F;CRPXXGGCABIMOC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254280;MM254280;CC(C)=C(F)C(N)C(C)N;RMPNZUAEXRZYOC-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254281;MM254281;CC(N)C(N)C(F)=C(F)F;NXKCMAZTWBUATB-UHFFFAOYSA-N;154.14;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254282;MM254282;CC(C)=C(F)C(O)C(C)O;UUXDWILNAYPQJZ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254283;MM254283;CC(O)C(O)C(F)=C(F)F;YWBJUXPRBKQMKX-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254284;MM254284;CC(C)=C(C)C(F)C(C)N;KKPRRACTWJRHJX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254285;MM254285;CC(F)=C(C)C(F)C(C)N;ALMGXQYTWYDSHO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254286;MM254286;CC(F)=C(C)C(F)C(C)O;OXDCOEARECUWOO-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254287;MM254287;CC(C)=C(C)C(F)C(F)F;IIQRGOXQAKIUPY-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254288;MM254288;CC(F)=C(C)C(C)N(C)C;ZNJPZHAZCCROCU-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254289;MM254289;CC(=O)C(C)C(C)=C(C)C;LTTDCAMFLDXNDV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254290;MM254290;CC(=O)C(C)C(C)=C(C)F;CECSUURSQKDRHC-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254291;MM254291;CC(C)=C(C)C(C)C(=N)N;SGCGINYPDSNVCI-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254292;MM254292;CC(F)=C(C)C(C)C(=N)N;SHLZSUBXAPMVMR-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254293;MM254293;CC(=C(F)F)C(C)C(=N)N;ZBBXMJFLTFUFCZ-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254294;MM254294;CC#CC(CO)C(C)=NN;CLWLGHVRUOYZCU-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254295;MM254295;CC(C)=C(C)C(C)C(=O)O;YTUBYXKZIMULBS-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254296;MM254296;CC(F)=C(C)C(C)C(=O)O;PTEXAFCLMLLNBY-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254297;MM254297;CC(=C(F)F)C(C)C(=O)O;PRGZVRICGGZNIH-UHFFFAOYSA-N;150.12;1.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254298;MM254298;CC(=O)C(C)C(F)=C(C)C;VJVSMFMWVXESSJ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254299;MM254299;CC(F)=C(F)C(C)C(=N)N;JORLYBXSIZMLFH-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254300;MM254300;CC(C)=C(F)C(C)C(N)=O;DZBBSJHZLLJIDU-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254301;MM254301;CC(C)=C(F)C(C)C(=O)O;FNAZDPYNSDTFNJ-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254302;MM254302;C=C(C)C(N)C(C)=C(C)F;NRHWUJKKYBLFTR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254303;MM254303;CC(C)=C(C)C(O)C(=N)N;VFDVRQXXCAHLMJ-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254304;MM254304;CC(=O)NCC(C)C(=O)O;DBKNTBMBKSLJRD-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254305;MM254305;CC(F)=C(F)C(O)C(=N)N;JDEGHTPBRSBRLL-UHFFFAOYSA-N;150.13;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254306;MM254306;CC(F)=C(F)C(O)C(N)=O;ASFUSSKRPVVKCN-UHFFFAOYSA-N;151.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254307;MM254307;CC(=O)C(F)C(C)=C(F)F;MTMFFTPHDNAWSS-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254308;MM254308;CC(C)=C(C)C(F)C(N)=O;SOJHZPBDLUJGFX-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254309;MM254309;CC(C)=C(C)C(F)C(=O)O;GIRURTGRMZQQKI-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254310;MM254310;CC(=O)C(F)C(F)=C(C)C;GRWCZLRVCDKJSF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254311;MM254311;CC(=O)N(C)C(C)=C(C)F;JCFDBPPLWHSQGT-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254312;MM254312;CC(F)=C(C)N(C)C(=N)N;CJJSTIWDBZUCNS-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254313;MM254313;CC(F)=C(C)N(C)C(N)=O;UTYKLKWNJGMNQV-UHFFFAOYSA-N;146.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254314;MM254314;CC(=N)N(N)C(C)=C(C)C;XRAUQBGPBTTZOU-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254315;MM254315;C=CC=C(C=NOC)CO;WOXUMIMCBOTZNW-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254316;MM254316;CC(=O)N(O)C(C)=C(C)C;LMRHGTPOFDAEFO-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254317;MM254317;C=C(C(C)=C(C)C)C(C)C;XOYMQIYGFSMPIV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254318;MM254318;C=C(C(C)=C(C)F)C(C)C;OVRLUUZIJKXVEN-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254319;MM254319;C=C(C(C)=C(C)C)C(C)N;UPIVYQHIPUHMMI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254320;MM254320;C=C(C(F)=C(C)C)C(C)O;DUSSXIHWXJQXIE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254321;MM254321;CC(C)=C(C)C(=O)C(C)O;SGTFIDRVUPSISO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254322;MM254322;CC(N)=C(C)C(=O)C(C)O;RQBDEYGZFFQFJP-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254323;MM254323;CC(C)=C(C)C(=O)C(C)F;CBMWEAYSDOCDFM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254324;MM254324;CC(F)=C(C)C(=O)C(C)F;XYAKPTSWAJLULR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254325;MM254325;CC(C)=C(C)C(=O)C(F)F;JZESMQASDWZGEV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254326;MM254326;CC(C)=C(F)C(=O)C(C)C;WYASHRPKBMHPEG-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254327;MM254327;CC(N)=C(F)C(=O)C(C)C;LIPORMCBESKOGK-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254328;MM254328;CC(N)=C(F)C(=O)C(C)O;JUCIKNKFRXPFJQ-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254329;MM254329;CC(O)C(=O)C(F)=C(N)N;WHINAEFGEDTQEE-UHFFFAOYSA-N;148.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254330;MM254330;CC(N)=C(F)C(=O)C(F)F;BOEBHBGCPYAXNM-UHFFFAOYSA-N;153.1;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254331;MM254331;CC(N)=C(C)C(=N)N(C)C;PUVBPJJPJHFRJR-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254332;MM254332;CC(C)=C(C)C(=N)N(C)N;MBLFQEZQSVHVTO-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254333;MM254333;CC(N)=C(C)C(=N)N(C)O;LEIHYPCQHAJJGC-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254334;MM254334;CC(C(=N)N(C)O)=C(N)N;LIUILFIXRVYXEH-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254335;MM254335;CNN(C(=N)OC)C(N)=O;FMLAJPWWQVWZON-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254336;MM254336;CN(C)C(=N)C(F)=C(F)F;CTWXDYXHEIBIAN-UHFFFAOYSA-N;152.12;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254337;MM254337;CC(F)=C(F)C(=N)N(C)N;NFRDFKNWILLICE-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254338;MM254338;CON=CC(CO)=C(C)C;VHWDLPHKVITZGD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254339;MM254339;Nc1cc(CO)c(N)n1N;PRCBQWMLYMTWOR-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254340;MM254340;CC(C)=C(C)C(=O)N(C)C;OVFUDUAQVKXXRX-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254341;MM254341;CC(C(=O)N(C)C)=C(N)N;GFLRUPKGERESSV-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254342;MM254342;CC(C(=O)N(C)N)=C(N)N;RQWFMYHSURMNQK-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254343;MM254343;CN(C)C(=O)C(F)=C(F)F;GPIMQYBOJVUWSK-UHFFFAOYSA-N;153.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254344;MM254344;CC(F)=C(F)C(=O)N(C)N;UFRVFAUNRQXMMM-UHFFFAOYSA-N;150.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254345;MM254345;C=C(C)C(=C)C(C)=C(C)C;VYRUFOHLASANAQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254346;MM254346;C=C(C)C(=C)C(C)=C(C)F;VLVPGCNMWBUKHT-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254347;MM254347;C=C(C)C(=C)C(C)=C(F)F;YQBGHKZYMKEKEH-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254348;MM254348;C=C(C(C)=O)C(C)=C(C)C;PCIRVYRJGNCBCP-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254349;MM254349;C=C(C(C)=O)C(C)=C(C)F;XLKWCFOBHCUGFJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254350;MM254350;C=C(C(=N)N)C(C)=C(C)F;NUCRDFZTLLGWCP-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254351;MM254351;C=C(C)C(=C)C(F)=C(C)C;LDTFLMVZAHGEGK-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254352;MM254352;C=C(C(C)=O)C(F)=C(C)C;IGIRJUGHRINGKU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254353;MM254353;C=C(C)C(=O)C(C)=C(C)C;KTMQHJHUJKBYFF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254354;MM254354;C=C(C)C(=O)C(C)=C(C)N;YVDCOQOJTDEVTR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254355;MM254355;C=C(C)C(=O)C(C)=C(C)F;WLJKUDWZRWYJEM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254356;MM254356;CC(=O)C(=O)C(C)=C(C)C;AWVAAPXFQHMWHI-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254357;MM254357;CC(=O)C(=O)C(C)=C(F)F;GVTVWILQWVCMFO-UHFFFAOYSA-N;148.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254358;MM254358;C=C(C=NN)C(CO)CO;OLAYXSRUJRYHKR-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254359;MM254359;CC(C(=O)C(=N)N)=C(N)N;RSOMOTYKIBFUFB-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254360;MM254360;CONC(=O)C=NO;LPDYIHGQPPPLFI-UHFFFAOYSA-N;118.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254361;MM254361;C=C(F)C(=O)C(C)=C(C)C;QDKHUHIDVPKMEY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254362;MM254362;C=C(F)C(=O)C(C)=C(F)F;UDZFEACBLQUYGI-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254363;MM254363;C=C(C)C(=O)C(F)=C(C)C;MTGDXIKHQCIDLR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254364;MM254364;CC(=O)C(=O)C(F)=C(C)C;MQZRZQIHFHIFEB-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254365;MM254365;NN=COCC1(CO)CC1;APNUCJJGJZLNJZ-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254366;MM254366;CCCC1=NNC(CO)C1;KNPUIULVAZTXCL-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254367;MM254367;N=C(N)C(=O)C(F)=C(F)F;FSVZXIWAALXIBV-UHFFFAOYSA-N;152.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254368;MM254368;CC(N)=C(F)C(=O)C(N)=O;LGPZGPFLUQCJTN-UHFFFAOYSA-N;146.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254369;MM254369;NC(=O)C(=O)C(F)=C(N)N;YZTVWEYMVDNSHV-UHFFFAOYSA-N;147.11;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254370;MM254370;NC(=O)C(=O)C(F)=C(F)F;RRWYQHMPMBXQGQ-UHFFFAOYSA-N;153.06;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254371;MM254371;CC(CN(C)C=O)C(=O)O;BYCDFAVGICQPQP-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254372;MM254372;CC(F)=C(F)C(=O)C(=O)O;JWZOZKLRPGZNBD-UHFFFAOYSA-N;150.08;0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254373;MM254373;C=Cc1noc(C=C)c1O;ZNLIZKGQKQXECM-UHFFFAOYSA-N;137.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254374;MM254374;CC(C)=C(C)C(C)=C(C)C;OXAOLOBMDYZLOB-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254375;MM254375;CC(C)=C(C)C(C)=C(C)F;OMJPSIAFTKEZDW-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254376;MM254376;CC(C)=C(C)C(C)=C(F)F;VWFRYTDHJRSCCM-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254377;MM254377;CC(F)=C(C)C(C)=C(C)F;FCUSLZIOKMREDG-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254378;MM254378;CC(F)=C(C)C(C)=C(F)F;VLOODJANJPRGHP-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254379;MM254379;CC(C)=C(C)C(F)=C(C)F;MCPGNYHRFLQHOH-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254380;MM254380;CC(C)=C(F)C(C)=C(C)F;IXHKJWZXJYSQQZ-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254381;MM254381;CC(F)=C(C)C(F)=C(F)F;GOVFLUFDUSIFMA-UHFFFAOYSA-N;154.11;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254382;MM254382;CC(C)=C(F)C(C)=C(F)F;NPWJAOFEDBHJGF-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254383;MM254383;CC(F)=C(F)C(C)=C(F)F;PVZIMXFKUIRJHZ-UHFFFAOYSA-N;154.11;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254384;MM254384;CC(=C(F)F)C(F)=C(F)F;HFDXDGWBRMVFNT-UHFFFAOYSA-N;158.07;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254385;MM254385;CC(=C(C)C(C)C)C(C)C;FCZMPSIXJOCEGI-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254386;MM254386;CC(=C(C)C(C)N)C(C)C;ISNCTAJGGBJDGI-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254387;MM254387;C=CCC1=NNC(CO)C1;BGWRPQRVZJCTRA-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254388;MM254388;CC(=C(C)C(C)O)C(C)N;HNFHGZWRWBIBTH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254389;MM254389;CC(=C(C)C(C)F)C(C)N;FKXLVIUMZFYBQQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254390;MM254390;CC(=C(C)C(C)F)C(C)O;GMVOALLDLMUMMG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254391;MM254391;CC(=C(C)C(F)F)C(C)O;CNNVARGTURAPSD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254392;MM254392;CC(=C(C)C(C)F)C(C)F;NHCNJBISTXYTAQ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254393;MM254393;CC(=C(C)C(F)F)C(C)F;WAEYEHRHTAVEHR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254394;MM254394;CC(=C(C)C(F)F)C(F)F;XXDVPXVXAHGRQN-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254395;MM254395;CC(=C(F)C(C)F)C(C)C;BJJZJIQXRLLJBF-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254396;MM254396;CC(=C(F)C(C)C)C(C)N;IXXQOZRWSWUWAS-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254397;MM254397;CC(=C(F)C(C)O)C(C)O;GSQYQWCJZAQSGL-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254398;MM254398;CC(=C(F)C(C)F)C(C)F;ONUPLEIDHXGCBH-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254399;MM254399;C=C(C)C(C)=C(C)C(C)C;HWGUNXMAPQRECD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254400;MM254400;CC(=O)C(C)=C(C)C(C)C;GMVATIICFNFQGG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254401;MM254401;CC(C(=N)N)=C(C)C(C)C;IWTQCUVOZPVHLR-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254402;MM254402;C#CCC1=NNC(CO)C1;ODGRQHKUWHVIDD-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254403;MM254403;CC(C(=O)O)=C(C)C(C)C;HHLQQQSOSDWBCO-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254404;MM254404;C=C(C)C(C)=C(C)C(C)N;BUTYFJJVSKDARU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254405;MM254405;CC(C(=N)N)=C(C)C(C)N;UIIYEPRWJLISBW-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254406;MM254406;C=C(F)C(C)=C(C)C(C)N;KNDDLPRJXZSEDK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254407;MM254407;CC=CC1=NNC(CO)C1;BSIGDPBFTOKNCP-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254408;MM254408;CC(=O)C(C)=C(C)C(C)O;RHHBAZXDXJYLNH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254409;MM254409;CC(C(N)=O)=C(C)C(C)O;QNNUEQQTLOUHOK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254410;MM254410;CC(=O)C(C)=C(C)C(C)F;OWZYFGPYKIMTLE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254411;MM254411;CC(C(=N)N)=C(C)C(C)F;HCQCLDMMIDXGDP-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254412;MM254412;CC(=O)C(C)=C(C)C(F)F;BSHQBTXNWVIUDO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254413;MM254413;CC(C(=N)N)=C(C)C(F)F;IMQDNSGSIGWTDW-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254414;MM254414;CC(C(=O)O)=C(C)C(F)F;IKYIXPQMFGNWQX-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254415;MM254415;C=C(C)C(F)=C(C)C(C)C;IPZQSNOJVJFPDY-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254416;MM254416;CC(=O)C(F)=C(C)C(C)C;ACSKLAGVPISDPN-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254417;MM254417;CC(=O)C(F)=C(C)C(C)F;ZLIFCUYICWPWRB-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254418;MM254418;CC(=O)C(C)=C(N)C(C)C;QRNGILWIKPYRSM-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254419;MM254419;CC(C(=N)N)=C(N)C(C)C;BJXICBMSQLOXPS-UHFFFAOYSA-N;141.22;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254420;MM254420;CC#CC1=NNC(CO)C1;PLZDTQVZDZUJTF-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254421;MM254421;CC(=O)C(C)=C(N)C(C)O;MIVIMQNWWIGVOL-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254422;MM254422;CC(O)C(N)=C(F)C(N)=O;VBPLIPABNKKTBY-UHFFFAOYSA-N;148.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254423;MM254423;CC(=O)C(C)=C(F)C(C)C;GZMCFGRADNNFIT-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254424;MM254424;CC(C(=N)N)=C(F)C(C)F;WQAAYQAOSMJERX-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254425;MM254425;CNc1cc(NC=N)n[nH]1;HRBGNNLARBSDQN-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254426;MM254426;CC(C(=N)N)=C(C)N(C)C;MUUTYUUHQORAAA-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254427;MM254427;C=C(C)C(C)=C(C)C(=C)C;IZQPDEGMJRSKON-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254428;MM254428;C=C(C)C(C)=C(C)C(C)=O;KKPUGQTWEDFSCJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254429;MM254429;C=C(C)C(C)=C(C)C(=N)N;KXMSCMOTFWPETC-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254430;MM254430;O=CC=C1C=C(CO)C=N1;YDUKWZKLQCYOJY-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254431;MM254431;C=C(C)C(C)=C(C)C(=O)O;MBRPTEBRTIHJLK-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254432;MM254432;CN1C(C#N)=NCC1CO;JPUGTPVTUFHXNF-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254433;MM254433;Cn1[nH]oc(=NO)c1=O;NCADTLPDAXWAES-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254434;MM254434;C=C(F)C(C)=C(C)C(C)=O;QVQVXQJCEKDZIJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254435;MM254435;C=C(F)C(C)=C(C)C(=N)N;OUOZRTWWCJUNBE-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254436;MM254436;Nn1[nH]c(=O)[nH]c1=O;RFUUOGMETNERHK-UHFFFAOYSA-N;116.08;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-10.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254437;MM254437;C=NN1CC1C(CO)CO;LFTVOMYPXFJUAA-UHFFFAOYSA-N;144.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254438;MM254438;C=C(F)C(C)=C(C)C(=O)O;JKDSLHSBJRAGDT-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254439;MM254439;C=C(C)C(N)=C(C)C(C)=O;CLOHMVGGXOOLCS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254440;MM254440;CC(C(=N)N)=C(N)C(=N)N;SMDLVZCHJVJCJA-UHFFFAOYSA-N;141.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254441;MM254441;CC(C(=N)N)=C(N)C(N)=O;IVYIFENLYKXXRS-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254442;MM254442;C#CC1NC1C(CO)CO;HMAISEQLNBMGHE-UHFFFAOYSA-N;141.17;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254443;MM254443;CC(CCCC(=O)O)=NO;PJYNLHFAFFMVMX-UHFFFAOYSA-N;145.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254444;MM254444;C=C(C)C(F)=C(C)C(C)=O;AMZTVFBGMCAXFR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254445;MM254445;CC(=O)C(C)=C(F)C(N)=O;VOJQDVWZAWZIKT-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254446;MM254446;C=C(C)C(F)=C(C)C(=N)N;LDPIPKSDCRXQTG-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254447;MM254447;CC(C(=N)N)=C(F)C(=N)N;CJRJEQKBBQXREZ-UHFFFAOYSA-N;144.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254448;MM254448;C=C(F)C(F)=C(C)C(=N)N;CBJMXAJOBYRKLH-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254449;MM254449;CC#CC#CC1NC1CO;KFDKDGJCIUIMPG-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254450;MM254450;CC(=O)C(F)=C(C)C(N)=O;FTDNASPHNNYFKV-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254451;MM254451;C=CCc1n[nH]c(=NN)o1;BZQMNBTXHBELLL-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254452;MM254452;C=C(F)C(C)=C(F)C(C)=O;OAOYPOYYZVBWLP-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254453;MM254453;N=C(N)C(N)=C(N)C(=N)N;UKOUUPWZJFFGSN-UHFFFAOYSA-N;142.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254454;MM254454;CNC(=CC(=O)O)CO;HZLFYGIHBIDWBU-UHFFFAOYSA-N;131.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254455;MM254455;N=C(N)C(N)=C(F)C(=N)N;YAZWXKLTASSFQI-UHFFFAOYSA-N;145.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254456;MM254456;NC(=O)C(N)=C(F)C(N)=O;LYUADWCFKRPDQF-UHFFFAOYSA-N;147.11;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254457;MM254457;CCC=NOCCC(=O)O;JIVFAVJDJDVVQH-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254458;MM254458;CC(C)=NNCC(=O)O;QBSQBLRERZPQLE-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254459;MM254459;CC(F)CCC(C)C(C)C;WAVALHCMQGSYRU-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254460;MM254460;CC(N)CCC(C)C(C)N;WTQZTJHGJSNPGT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254461;MM254461;CC(O)CCC(C)C(C)N;XYSCCXKHNRVHJC-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254462;MM254462;CC(F)CCC(C)C(C)N;PXOUQCBURWJVCU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254463;MM254463;CC(N)C(C)CCC(F)F;ATSVRARTIKYWFJ-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254464;MM254464;NN=C1CNC(CO)CO1;NFHTUHFMMGUORK-UHFFFAOYSA-N;145.16;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254465;MM254465;CC(N)CCC(C)C(C)F;HDYYCEFJZNCOCO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254466;MM254466;CC(F)CCC(C)C(C)F;NTSJVNHFQYYTIG-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254467;MM254467;CC(F)C(C)CCC(F)F;RPTLJUHDYGNMTN-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254468;MM254468;CC(F)CCC(C)C(F)F;HSLLEUPJSPLDLY-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254469;MM254469;CC(CCC(F)F)C(F)F;RVEPZFVVBKFVRI-UHFFFAOYSA-N;158.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254470;MM254470;CC(C)CCC(N)C(C)C;YYZBMFPELSRAKX-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254471;MM254471;CC(N)CCC(N)C(C)C;NXCNVQIYLQKBEH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254472;MM254472;CC(O)CCC(N)C(C)C;XTAVYDMPLJBJTC-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254473;MM254473;CC(F)CCC(N)C(C)C;SFUGSZFLLGOTBW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254474;MM254474;CC(C)C(N)CCC(F)F;NUWQNPUZNCEYCV-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254475;MM254475;CC(N)C(N)CCC(F)F;UGFVJYCRDLNVLZ-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254476;MM254476;CC(C)CCC(N)C(C)O;YFAAGKRJCHSTTF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254477;MM254477;CC(C)CCC(N)C(C)F;IZWLDRIOHSXIBC-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254478;MM254478;CC(F)C(N)CCC(F)F;CTWSHOVBJOEXNN-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254479;MM254479;CC(N)CCC(O)C(C)C;FFJAXDDPGDKPKQ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254480;MM254480;CC(O)CCC(O)C(C)C;MFBMFHMAWZBOEZ-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254481;MM254481;CC(C)C(O)CCC(F)F;ZSKMUGAFMZTJIN-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254482;MM254482;CC(C)CCC(O)C(C)N;YWYZQYIDJGGGDE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254483;MM254483;CC(O)CCC(O)C(C)N;HIEHDHXOPHPBKE-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254484;MM254484;CC(N)CCC(O)C(C)O;WGDKACOBKIQNIP-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254485;MM254485;CC(O)CCC(O)C(C)O;FSNZWDCGHNUSJZ-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254486;MM254486;CC(O)C(O)CCC(F)F;ZMNOCFBLLVLEAA-UHFFFAOYSA-N;154.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254487;MM254487;CC(F)CCC(O)C(C)F;WASYTVLMDQEVHH-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254488;MM254488;CC(N)CCC(O)C(F)F;ANUSCMJJHOZKEO-UHFFFAOYSA-N;153.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254489;MM254489;CC(F)CCC(O)C(F)F;RMAHXBDFKUUWGM-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254490;MM254490;CC(C)CCC(F)C(C)C;UOLAKXBIWVDLRZ-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254491;MM254491;CC(N)CCC(F)C(C)C;RCQMNLYWTXDBQU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254492;MM254492;CC(O)CCC(F)C(C)C;JCVDBMYPWYKOKX-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254493;MM254493;CC(F)CCC(F)C(C)C;LXELWNOHCOAOHP-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254494;MM254494;CC(C)C(F)CCC(F)F;QCPPPWVCLJPRLB-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254495;MM254495;CC(F)CCC(F)C(C)N;XTRUTDCAWYFWAC-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254496;MM254496;CC(N)C(F)CCC(F)F;JCTFXANMWABROH-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254497;MM254497;CC(F)CCC(F)C(C)O;IXFBLJPCGBEUMO-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254498;MM254498;CC(O)C(F)CCC(F)F;AFJHJPHTSBKPBJ-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254499;MM254499;CC(O)CCC(F)C(C)F;SREBUBAMZHYEOH-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254500;MM254500;CC(O)CCC(F)C(F)F;HZANGDBKOIAXMB-UHFFFAOYSA-N;156.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254501;MM254501;CC(F)CCC(F)C(F)F;SXGGZODYRRQKKD-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254502;MM254502;FC(F)CCC(F)C(F)F;WCPCCBKSKRBBRX-UHFFFAOYSA-N;162.1;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254503;MM254503;CC(C)NCC(C)C(C)C;UXVLNAJNGBBANX-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254504;MM254504;CC(C)NCC(C)C(C)N;ATJFVBPIZQBQBS-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254505;MM254505;CC(C)NCC(C)C(C)O;PVXUUPCPKODYCG-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254506;MM254506;CC(C)NCC(C)C(C)F;FHROANLIWNYOFU-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254507;MM254507;CC(C)NCC(C)C(F)F;CVJYPCYXPWQPES-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254508;MM254508;CC(C)NCC(N)C(C)C;CPMDYTUUHTVWKQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254509;MM254509;CC(C)NCC(O)C(C)C;WHTMXAOQKHJEDS-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254510;MM254510;CC(C)NCC(O)C(F)F;PZXTWKZNPCFJIC-UHFFFAOYSA-N;153.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254511;MM254511;CC(C)NCC(F)C(C)C;AHNCIZIBQDBBME-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254512;MM254512;CC(C)NCC(F)C(C)F;LEXIJAZBYGXJPG-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254513;MM254513;CC(C)OCC(N)C(C)C;YPPOLJWDJQIHHA-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254514;MM254514;CC(C)OCC(N)C(C)O;ATLNWDFLOQZILN-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254515;MM254515;CC(C)OCC(O)C(C)N;SXZXFMOEWXNEQC-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254516;MM254516;CC(C)OCC(O)C(C)O;FTSYKFIYGAMBQT-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254517;MM254517;CC(C)OCC(O)C(C)F;JNJHMYCFUIFLDF-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254518;MM254518;CC(C)CNC(C)C(C)C;KVBNRAPUSDQJDB-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254519;MM254519;CC(N)CNC(C)C(C)C;FVESMVLQJKZNQS-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254520;MM254520;CC(O)CNC(C)C(C)C;ZRQQQPCOWOCCSG-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254521;MM254521;CC(F)CNC(C)C(C)C;FRCRUIYSOKTWPL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254522;MM254522;CC(C)CNC(C)C(C)N;IZADSRLPUKCNAA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254523;MM254523;CC(N)C(C)NCC(F)F;YTNVUANVEMCHST-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254524;MM254524;CC(C)CNC(C)C(C)O;WWPVGDJMKKBEOE-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254525;MM254525;CC(C)CNC(C)C(C)F;VIFYNFCXERNBTC-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254526;MM254526;CC(F)C(C)NCC(F)F;LDZCTGGTADURJY-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254527;MM254527;CC(C)COC(C)C(C)N;GQDLLNGYXWRNRO-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254528;MM254528;CC(O)COC(C)C(C)N;YMSDHQYAXNDUHR-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254529;MM254529;CC(N)COC(C)C(C)O;HWXTXBGJONGANZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254530;MM254530;CC(F)C(C)CCN(C)C;WASLAHVMDMQIOD-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254531;MM254531;CC(N)C(O)CCN(C)C;RPALUCKZLNKJCM-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254532;MM254532;CC(C)C(F)CCN(C)C;OGWNAOKKCQAOLQ-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254533;MM254533;CC(C)CCC(C)N(C)C;ANSLWXNLQTXZKN-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254534;MM254534;CC(N)CCC(C)N(C)C;BVNINJPSBVGSBA-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254535;MM254535;CC(F)CCC(C)N(C)C;JABIJOQVTOLPOD-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254536;MM254536;CC(CCC(F)F)N(C)C;MHJYRQMCFMGDTK-UHFFFAOYSA-N;151.2;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254537;MM254537;CC(C)NCC(C)N(C)C;OGNFWOGUOYORNN-UHFFFAOYSA-N;144.26;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254538;MM254538;CC(C)OCC(C)N(C)C;IVMOIEQZGLOBLV-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254539;MM254539;CC(C)CCN(C)C(C)C;FFXHZESBJFDNKX-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254540;MM254540;CC(N)CCN(C)C(C)C;ZPGBPEBNZJBAPM-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254541;MM254541;CC(O)CCN(C)C(C)C;XAHWFIALFXVMKE-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254542;MM254542;CC(F)CCN(C)C(C)C;NMYUGISARRSFMT-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254543;MM254543;CC(C)C(C)CCC(=N)N;HZBBSDDKJQFYET-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254544;MM254544;Nc1c[nH]nn1;JSIAIROWMJGMQZ-UHFFFAOYSA-N;84.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254545;MM254545;CC(C)C(C)CCC(=O)O;HHGZJCMMPUJXIF-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254546;MM254546;C=C(F)CCC(C)C(C)N;AHFKYVOOAKEQOM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254547;MM254547;O=CC1NC1CO;RKFPVNDHJJHEIX-UHFFFAOYSA-N;101.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254548;MM254548;CC(C)N=c1[nH]oc(=O)o1;GNMRTJPEMBGBDF-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254549;MM254549;CC(F)C(C)CCC(=N)N;HJVLLTQGEGEBRG-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254550;MM254550;CC(F)C(C)CCC(=O)O;UXKVPDLUTMPRCW-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254551;MM254551;C=C(C)CCC(C)C(F)F;IYOYGVMYKIKTCE-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254552;MM254552;CC(CCC(N)=O)C(F)F;DWYXGUSWTWEMHY-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254553;MM254553;CC(CCC(=O)O)C(F)F;CCDMCWVOERPNBL-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254554;MM254554;C=C(F)CCC(C)C(F)F;GLUPWUCXCAVOAJ-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254555;MM254555;CC(C)C(N)CCC(=N)N;QNKDGPBPXGYUAP-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254556;MM254556;C=C(F)CCC(N)C(C)C;GMVIQVQJGOQYPI-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254557;MM254557;C=C(C)CCC(N)C(C)F;SFIIDVYHQXYFLO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254558;MM254558;CC(F)C(N)CCC(N)=O;BXFJMYOEPXDCFH-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254559;MM254559;CC(=NN)OC(N)=O;PDEKEVJSQPMWIE-UHFFFAOYSA-N;117.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254560;MM254560;CC(=O)CCC(O)C(C)C;VWEXEHRUDBDVEF-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254561;MM254561;CC(C)C(O)CCC(=N)N;NPBNKYIMSBFQRF-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254562;MM254562;CC(C)C(O)CCC(N)=O;SGRXGRBVGDQDNH-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254563;MM254563;N=c1cnnc(O)n1N;GCMXZXUQJKBOTF-UHFFFAOYSA-N;127.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254564;MM254564;C=C(F)CCC(O)C(C)C;IANHGUGFLYGNSE-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254565;MM254565;CC(=O)CCC(O)C(C)O;CZNMMNGWBIIGKX-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254566;MM254566;CC(O)C(O)CCC(N)=O;CMURXWOYNFOUDR-UHFFFAOYSA-N;147.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254567;MM254567;CC(C=O)C(C)C(=O)O;SHWDMZIOTPTQEA-UHFFFAOYSA-N;130.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254568;MM254568;C=C(C)CCC(F)C(C)C;HBJKOIUOOWISON-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254569;MM254569;CC(=O)CCC(F)C(C)C;DHURXSUCOKREAU-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254570;MM254570;CN1C(CO)C1(C)C;HOHULJPJNJRBSD-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254571;MM254571;CC(C)C(F)CCC(=O)O;ZSWHTBQOEUPCSO-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254572;MM254572;C=C(F)CCC(F)C(C)C;UGEUIMWUPQOXQS-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254573;MM254573;C=C(C)CCC(F)C(C)N;BGNAJXUAMSLVJT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254574;MM254574;CC(N)C(F)CCC(N)=O;SSRQVVLPQIOISN-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254575;MM254575;CC(F)C(F)CCC(=N)N;NEQNYVAQYTWOSX-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254576;MM254576;N=C(N)CCC(F)C(F)F;XVWPABWVNGSAHS-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254577;MM254577;CC(=N)NCC(C)C(C)C;JEEHPPBDGHWRTB-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254578;MM254578;CC(=O)C1NC1CO;XZZQGBSKLZYGTA-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254579;MM254579;CC(C)C(C)CNC(=N)N;YOYNDFLQRKLSIV-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254580;MM254580;CC(C)C(C)CNC(N)=O;LADRRSHOANUTQL-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254581;MM254581;CC(=N)NCC(C)C(C)N;LHGBFWZVVSAYAA-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254582;MM254582;CC(N)C(C)CNC(=N)N;DQRWADNAPLBQOR-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254583;MM254583;CC(O)C(C)CNC(N)=O;GSIQOHQARODGSO-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254584;MM254584;CC(=N)NCC(C)C(C)F;JPSMSROIVDLHSQ-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254585;MM254585;CC(=O)NCC(C)C(C)F;AJODCEUHROKZGD-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254586;MM254586;CC(=O)NCC(C)C(F)F;GUZKLKIHQMLXCS-UHFFFAOYSA-N;151.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254587;MM254587;CC(CNC(=N)N)C(F)F;SIOHSIBMYUSAMN-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254588;MM254588;CC(=N)NCC(N)C(C)C;HMJSJJBBCUBXLW-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254589;MM254589;CC(C)C(N)CNC(=N)N;CEEYCBRDIMXVMI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254590;MM254590;CC(C)C(N)CNC(N)=O;GGSMGRSJKQIKLL-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254591;MM254591;CC(O)C(N)CNC(=N)N;GTRQSDMQKLWEMP-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254592;MM254592;N=C(N)NCC(N)C(F)F;RWMBOYQNFFFAGC-UHFFFAOYSA-N;152.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254593;MM254593;CC(=N)NCC(O)C(C)O;KTQUZMQMJKDIAE-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254594;MM254594;CC(=O)NCC(O)C(C)O;LERBXSNWZHBRNT-UHFFFAOYSA-N;147.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254595;MM254595;CC(O)C(O)CNC(N)=O;BYUGAPYZHQCUTL-UHFFFAOYSA-N;148.16;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254596;MM254596;CC(=N)NCC(O)C(C)F;QDVZJBSLZJPJQC-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254597;MM254597;N=C(N)NCC(O)C(F)F;VVSOLDFUBXZOQE-UHFFFAOYSA-N;153.13;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254598;MM254598;NC(=O)NCC(O)C(F)F;XQBASAIOOCDQNT-UHFFFAOYSA-N;154.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254599;MM254599;CC(=N)NCC(F)C(C)C;OELZPPAXYPSQKJ-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254600;MM254600;CC(=O)NCC(F)C(C)C;KWBCVNNKNKRKID-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254601;MM254601;CC(=N)NCC(F)C(C)F;PFKJMCQGCOOWOJ-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254602;MM254602;CC(F)C(F)CNC(N)=O;RMOCZAHPVVBQNV-UHFFFAOYSA-N;152.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254603;MM254603;N=C(N)NCC(F)C(F)F;DBGVEBVXEZCCPA-UHFFFAOYSA-N;155.12;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254604;MM254604;CC(=O)OCC(C)C(C)C;WFDGVYOPMMQGAR-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254605;MM254605;CC(C)C(C)COC(=N)N;IEKYQFCLUKWQAN-UHFFFAOYSA-N;144.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254606;MM254606;CC(=O)OCC(C)C(C)N;SLVHUEVREKWQLE-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254607;MM254607;CC(=O)OCC(C)C(C)O;AEMICLVFJNYFLC-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254608;MM254608;CC(F)C(C)COC(=N)N;RRDKMPQHLNEHOG-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254609;MM254609;CC(COC(=N)N)C(F)F;FDCXYDIHTNBCMX-UHFFFAOYSA-N;152.14;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254610;MM254610;CC(=O)OCC(N)C(C)C;DTYCEIFSOWNFNV-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254611;MM254611;C=C(C)OCC(N)C(C)O;IYJVGPDPDCSKCU-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254612;MM254612;C=C(C)OCC(O)C(C)C;IIURRWPBNWEBKT-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254613;MM254613;CC(=O)OCC(O)C(C)C;YPPZVMJFMVHVTE-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254614;MM254614;CC(=O)OCC(O)C(C)O;HFHWELMJHBZTIJ-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254615;MM254615;CC(O)C(O)COC(=N)N;OLDYJWDKDZPZNC-UHFFFAOYSA-N;148.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254616;MM254616;CC(O)C(O)COC(N)=O;LXIDOMOREZLPDK-UHFFFAOYSA-N;149.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254617;MM254617;CC(F)C(O)COC(N)=O;UFJINLPOQGDGMW-UHFFFAOYSA-N;151.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254618;MM254618;N=C(N)OCC(O)C(F)F;RYDLOOZBZRDRDR-UHFFFAOYSA-N;154.12;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254619;MM254619;CC(C)C(F)COC(=N)N;KIIQWGVBGUSUMV-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254620;MM254620;C=C(C)OCC(F)C(C)N;CANYLWRONFVUSY-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254621;MM254621;CC(=O)OCC(F)C(C)F;XDKBHTIPIIDUFC-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254622;MM254622;CC(=O)OCC(F)C(F)F;IBOFTQSWEAPHKL-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254623;MM254623;C=C(C)CNC(C)C(C)C;CXDKJSCEMLMNCH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254624;MM254624;CC(=O)CNC(C)C(C)C;SPDYHTARUQDBOQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254625;MM254625;C=C(C)CNC(C)C(C)F;FCVSQWAGWSGZJU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254626;MM254626;CC(F)C(C)NCC(=N)N;OWUOMUKYXNSTBS-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254627;MM254627;CC(=N)NNC(C)C(C)N;JIJMRNGRFOHMJM-UHFFFAOYSA-N;144.22;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254628;MM254628;CC(N)C(C)NNC(=N)N;BTXWHYLLEQRSHM-UHFFFAOYSA-N;145.21;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254629;MM254629;C=C(F)C1NC1CO;HZJJSVUNPRMWAS-UHFFFAOYSA-N;117.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254630;MM254630;CC(NNC(N)=O)C(F)F;CUCNGANGASSBRB-UHFFFAOYSA-N;153.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254631;MM254631;CC(=O)COC(C)C(C)O;DGBUQTNWIWUYII-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254632;MM254632;CC(=O)NOC(C)C(C)C;YUSOOLPEYFGCQR-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254633;MM254633;CC(N)C(C)ONC(N)=O;PPZPAJHOXDKTHR-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254634;MM254634;CC(=N)NOC(C)C(C)O;GRPFWJIXRJOTSK-UHFFFAOYSA-N;146.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254635;MM254635;CC(=N)NOC(C)C(C)F;CNNTXWIOCYMRRA-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254636;MM254636;CC(ONC(=N)N)C(F)F;SHQUVSPZWRKGTC-UHFFFAOYSA-N;153.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254637;MM254637;CC(ONC(N)=O)C(F)F;FBOQECMHCYOBQE-UHFFFAOYSA-N;154.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254638;MM254638;C=C(C)CCC(C)N(C)C;IPCSDAUDLTVFMO-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254639;MM254639;CC(=O)CCC(C)N(C)C;ZFWAVCURWGOYDY-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254640;MM254640;CC(CCC(=N)N)N(C)C;HZNBYTRNJZZEKC-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254641;MM254641;CC(CNC(=N)N)N(C)C;OKILELKXOGVTTD-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254642;MM254642;C=C(C)OCC(C)N(C)C;ORPZHHTXKRNSJB-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254643;MM254643;CC(=O)OCC(C)N(C)C;GOPNTFCRGQUTDA-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254644;MM254644;CC(COC(=N)N)N(C)C;WJMKHAXPOXVDPQ-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254645;MM254645;CC(COC(N)=O)N(C)C;WSCILZJYYHSHEM-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254646;MM254646;C=C(C)CCN(C)C(C)C;PXXZYULUEMIANR-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254647;MM254647;CC(=O)CCN(C)C(C)C;JRSKFKZAKLAAMS-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254648;MM254648;C=C(F)CCN(C)C(C)C;WXJQDERFHJKKLG-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254649;MM254649;C=C(C)C(C)CCC(C)F;RSZZZSNSLJGZIS-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254650;MM254650;C=C(C)C(C)CCC(F)F;FEGFRMLHZJQNNH-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254651;MM254651;CC(=O)C(C)CCC(C)C;HOLXQPDPTQSXMM-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254652;MM254652;CC(=O)C(C)CCC(F)F;STHKMBACUORPFY-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254653;MM254653;CC(C)CCC(C)C(=N)N;NETVTPZTFVPQPI-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254654;MM254654;CC(CCC(F)F)C(=N)N;SGMRKPPVDXRIGO-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254655;MM254655;CC(N)CCC(C)C(N)=O;GBUUHZOADFTHMO-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254656;MM254656;NN=CNOCCO;FEWJZOQYNBJTLA-UHFFFAOYSA-N;119.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254657;MM254657;CC(F)CCC(C)C(=O)O;KEOKLSUELKNSRK-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254658;MM254658;C=C(F)C(C)CCC(C)F;SJZLUXAOISNHLJ-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254659;MM254659;C=C(F)C(C)CCC(F)F;PGKGOQRCPANUAW-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254660;MM254660;C=C(C)C(N)CCC(C)O;DSCLNCLTQYRJNP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254661;MM254661;C=C(C)C(N)CCC(C)F;QCOQQBUXFWMTGN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254662;MM254662;C=C(C)C(N)CCC(F)F;AOUVZWNHSBVLRV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254663;MM254663;CC(F)CCC(N)C(=N)N;LXQKYMZBAHJLGK-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254664;MM254664;N=C(N)C(N)CCC(F)F;PWJLSLKWMSYRCU-UHFFFAOYSA-N;151.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254665;MM254665;C=C(F)C(N)CCC(C)F;CTPJGOQVPZUPQY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254666;MM254666;C=C(F)C(N)CCC(F)F;JWRUTHRLBZVHMP-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254667;MM254667;C=C(C)C(O)CCC(C)O;DLDWGVFXFIXIDG-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254668;MM254668;C=C(C)C(O)CCC(C)F;JXYGXKJNHBTDOB-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254669;MM254669;CC(F)CCC(O)C(=N)N;NDDRZGRBIJRKRN-UHFFFAOYSA-N;148.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254670;MM254670;N=C(N)C(O)CCC(F)F;MITLSMUFVCSFPV-UHFFFAOYSA-N;152.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254671;MM254671;O=c1[nH]c(O)c(F)n1O;NGZBMFMIRWOWJH-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254672;MM254672;C=C(F)C(O)CCC(F)F;PUGGOYLMLFGLHG-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254673;MM254673;C=C(C)C(F)CCC(C)N;AXZJSFYKZKSYNH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254674;MM254674;C=C(C)C(F)CCC(C)O;CGTWXZUVLNCMHH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254675;MM254675;C=C(C)C(F)CCC(C)F;AMMCGZZPMOLVOO-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254676;MM254676;CC(=O)C(F)CCC(C)F;GHIPFBTUOAUULS-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254677;MM254677;CC(=O)C(F)CCC(F)F;GJNJCYKATXERHU-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254678;MM254678;CC(F)CCC(F)C(=N)N;FICXDNBZHDMHFF-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254679;MM254679;N#CCc1oc(=O)oc1O;HVMBBBGOAXVTRJ-UHFFFAOYSA-N;141.08;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254680;MM254680;CC(F)CCC(F)C(=O)O;LNIYNRJFCGDMIY-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254681;MM254681;C=C(F)C(F)CCC(C)N;CHHONKWWTUDXJS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254682;MM254682;C=C(F)C(F)CCC(C)O;BOQCJJDSDKBENR-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254683;MM254683;CC(=O)C(C)CNC(C)C;FHHRVAFPHVMSBU-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254684;MM254684;C=C(F)C(C)CNC(C)C;CBLQGLKIHKZJGN-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254685;MM254685;CC(C)NCC(N)C(=N)N;WSNUQAHITMLASR-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254686;MM254686;CC(C)NCC(N)C(N)=O;GZYSMYXZABTIPI-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254687;MM254687;CC(=O)C(O)CNC(C)C;COGKQVXGZYQXBS-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254688;MM254688;C=C(C)C(F)CNC(C)C;LPKQSDCLDFMVFF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254689;MM254689;CC(=O)C(C)COC(C)C;GUMJEEWFBBWBHT-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254690;MM254690;C=C(C)C(C)NCC(C)C;ZNJTYOXFYAHMNF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254691;MM254691;C=C(C)C(C)NCC(C)F;AVSDMDUWPNACLE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254692;MM254692;CC(=O)C(C)NCC(C)C;WPKLNUBTYIQILY-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254693;MM254693;CC(=O)C(C)OCC(C)O;NOSLSQWKYDYCMV-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254694;MM254694;CC(=O)C(C)OCC(C)F;KYFRMJWACAMNMM-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254695;MM254695;CC(N)COC(C)C(=N)N;HEYIDAHSTSYNSF-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254696;MM254696;CC(O)COC(C)C(=N)N;LQQCEEYGOPGYTR-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254697;MM254697;C=COC1CC(C(=O)O)C1;XBIBRWRHENAHIE-UHFFFAOYSA-N;142.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254698;MM254698;CC(=O)C(C)CCN(C)C;RRARQPRDCCTJII-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254699;MM254699;C=C(F)C(N)CCN(C)C;ZEZYDPXRQYYBLC-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254700;MM254700;C=C(C)C(O)CCN(C)C;QPNATSBCLMVDQG-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254701;MM254701;CN(C)CCC(O)C(=N)N;WIBULYOQNBURQX-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254702;MM254702;C=C(C)C(F)CCN(C)C;PYFSORGTOPYLQY-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254703;MM254703;CC(=N)N(C)CCC(C)O;YREHRJIOAKRACZ-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254704;MM254704;CC(=O)N(C)CCC(C)C;HOQJKFOIXVMEJW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254705;MM254705;CC(=O)N(C)CCC(C)N;ZQQMIIFDQALAGE-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254706;MM254706;CC(=O)N(C)CCC(C)O;UTUVCVHMZOINOJ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254707;MM254707;CC(=O)N(C)CCC(C)F;CGCSSBOHGSRTCM-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254708;MM254708;CC(=O)N(C)CCC(F)F;NEWYZXZRNQKUPO-UHFFFAOYSA-N;151.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254709;MM254709;CC(C)CCN(C)C(=N)N;DWDWGJFPMQFQDB-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254710;MM254710;CC(=N)N(N)CCC(C)C;ASXBSNZIMATCPV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254711;MM254711;CC(=O)N(N)CCC(C)C;VZUHATCLJHMDKK-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254712;MM254712;CC(F)CCN(N)C(=N)N;VJCAWJIMWCDNMX-UHFFFAOYSA-N;148.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254713;MM254713;N=C(N)N(N)CCC(F)F;IPSATCIYDTXVOM-UHFFFAOYSA-N;152.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254714;MM254714;C=CC1C(CO)N1C;VSBRHOQPQHABAA-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254715;MM254715;CC(=N)N(O)CCC(F)F;IVTSWZSIRKADQK-UHFFFAOYSA-N;152.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254716;MM254716;N=C(N)N(O)CCC(F)F;OKENQECKPDDRGW-UHFFFAOYSA-N;153.13;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254717;MM254717;CC(C)CCN(O)C(N)=O;FJACMROUOAGUIX-UHFFFAOYSA-N;146.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254718;MM254718;NC(=O)N(O)CCC(F)F;VYAVLUXNXDYYHC-UHFFFAOYSA-N;154.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254719;MM254719;CC(=N)N(C)NCC(C)F;JXNOWNYNFXLGRQ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254720;MM254720;CC(=O)N(C)NCC(C)C;OPDRTOKNMWEWDI-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254721;MM254721;CC(N)CNN(C)C(=N)N;LYNWJDVXYHOQQA-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254722;MM254722;CN(NCC(F)F)C(=N)N;XVTGQFAOFLCCCQ-UHFFFAOYSA-N;152.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254723;MM254723;CC(N)CNN(C)C(N)=O;RIRPSJSUYGWHSD-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254724;MM254724;C=NOCC(C)(C)CO;NDYVEPMBUSVEBO-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254725;MM254725;C=NOCCNC(N)=O;DBEBLKNBFJYGJV-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254726;MM254726;CC(=N)N(C)OCC(C)F;BNEXFOJWWNGWLG-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254727;MM254727;CC(=N)N(C)OCC(F)F;OGODTCBCTWFPSK-UHFFFAOYSA-N;152.14;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254728;MM254728;CC(=O)N(C)OCC(C)C;WNBFSVOMIADNIU-UHFFFAOYSA-N;145.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254729;MM254729;CC(=O)N(C)OCC(C)O;FDZAQIRLUQSITR-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254730;MM254730;CC(=O)N(C)OCC(C)F;DOJTYDQZLGYQII-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254731;MM254731;CC(N)CON(C)C(=N)N;YRDQHFUSVHCOBW-UHFFFAOYSA-N;146.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254732;MM254732;CC(O)CON(C)C(=N)N;GZKRUTBSOJDABY-UHFFFAOYSA-N;147.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254733;MM254733;CC(F)CON(C)C(=N)N;XMXYCFYLPDSACV-UHFFFAOYSA-N;149.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254734;MM254734;CC(C)CON(C)C(N)=O;HDKGJNQJPMKISW-UHFFFAOYSA-N;146.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254735;MM254735;CC(N)CON(C)C(N)=O;FZFVHBZKKWCHQO-UHFFFAOYSA-N;147.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254736;MM254736;CC(O)CON(C)C(N)=O;YXALPFGIOWRGMQ-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254737;MM254737;CN(OCC(F)F)C(N)=O;IUWHBTJUMWVJDA-UHFFFAOYSA-N;154.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254738;MM254738;CN(C)CCN(C)C(=N)N;COQQDPGSXXFGRE-UHFFFAOYSA-N;144.22;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254739;MM254739;CN(C)CCN(C)C(N)=O;ZQGDDVMOHOKDFO-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254740;MM254740;CN(C)CCN(N)C(=N)N;PCXBCJYTYGTRFU-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254741;MM254741;CN(C)CCN(O)C(=N)N;LPHFGZFMMOQKCL-UHFFFAOYSA-N;146.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254742;MM254742;C=C(C)C(C)CCC(C)=O;BDUFMAYMJLDPIH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254743;MM254743;CN(O)C=NNCCO;NKPJINQOOAXGGG-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254744;MM254744;C=C(C)C(C)CCC(=O)O;AAYLSGQMDZQYDH-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254745;MM254745;CC(=O)CCC(C)C(C)=O;YLOUWNWIFUFLQS-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254746;MM254746;COC=CC=CC(=O)O;YWOQEVRXWCTXSQ-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254747;MM254747;C=C(C)CCC(C)C(=N)N;JGNUSYWWOKZEQR-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254748;MM254748;CN(C=NN)OCCO;YXXISJZTYPLTOP-UHFFFAOYSA-N;133.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254749;MM254749;Cn1c(O)c(O)ncc1=O;ANSWOHYESWUPMR-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254750;MM254750;N#CC(=N)NOCCO;AXECXZGHGIRDRY-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254751;MM254751;C=C(C)CCC(C)C(=O)O;GCVHNHQXAQISRR-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254752;MM254752;CCCONC(=O)COC;LUWJUZUQBHVXAT-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254753;MM254753;COCC(O)CCC(=O)O;FAFMYMDPFIDXOA-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254754;MM254754;C=C(F)CCC(C)C(=O)O;MFZAECAZDPBQKW-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254755;MM254755;C=NNC(CO)CCF;YRKPWJYQNBRPCK-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254756;MM254756;C=C(F)C(C)CCC(=O)O;WUDPROWHXJXXNG-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254757;MM254757;C=C(C)CCC(N)C(=C)C;XFSSQGWITHBOSB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254758;MM254758;C=C(C)C(N)CCC(=N)N;PHHZRXNJOXFQHH-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254759;MM254759;C=C(F)CCC(N)C(=C)C;PXTKRFMRAJKKJW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254760;MM254760;C=C(F)CCC(N)C(=C)F;GPZZNNPWGPKXKT-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254761;MM254761;C=C(C)C(O)CCC(C)=O;DTFMEMWEEXYNRO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254762;MM254762;C=C(C)C(O)CCC(N)=O;RDRVVRNCEYZQQV-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254763;MM254763;CC(O)C(O)CCC(=O)O;FKHCKVQMPWUKCV-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254764;MM254764;C=C(F)CCC(O)C(=C)C;WFKHXRNCAYGXKX-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254765;MM254765;C=C(F)CCC(O)C(=N)N;DKYYVBGBOISQLO-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254766;MM254766;COC(CO)CCC(=O)O;ZIVWKVGXKQRFAE-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254767;MM254767;C=C(F)C(O)CCC(=N)N;KXHUYKSZQOTXGT-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254768;MM254768;C=C(C)C(F)CCC(C)=O;XCGIDHRLENGBJT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254769;MM254769;C=C(C)C(F)CCC(=O)O;BKJHHZCUNFHARG-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254770;MM254770;C=C(F)CCC(F)C(=C)C;ZSFCDTXKPXYKDB-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254771;MM254771;C=C(C)CCC(F)C(=N)N;POJYVNAGJWNDMQ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254772;MM254772;CC(=O)CCC(F)C(=N)N;CVFNRASUBWOOCE-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254773;MM254773;C=C(C)CCC(F)C(=O)O;DCMZJZLMQXSTAM-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254774;MM254774;C=C(F)C(F)CCC(C)=O;WTFLTTBFCGZGIF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254775;MM254775;CC(=O)NCC(C)C(C)=O;HTYLVPYCUZYGSW-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254776;MM254776;CC(=O)C(C)CNC(N)=O;ZSBYKGSUSFOGIZ-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254777;MM254777;CC(N)=NCC(C)C(N)=O;NWSFNTBNXWNXJL-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254778;MM254778;CC(CNC(N)=O)C(N)=O;JTNROPBAYLZEDY-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254779;MM254779;CCC=C(CO)C(=O)O;VLFBJVMAFQPEIJ-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254780;MM254780;O=C(O)CCC(CO)CO;UUYAPFVLNLJSQW-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254781;MM254781;C=C(F)C(C)CNC(C)=N;DUABOOLPEGFDET-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254782;MM254782;C=C(F)C(C)CNC(C)=O;DTYYPTHESLGKPW-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254783;MM254783;C=C(F)C(C)CNC(N)=O;LOGJTKVUPFEGMZ-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254784;MM254784;C=C(C)C(N)CNC(C)=N;YVRGNTUSCQJPDJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254785;MM254785;C=C(C)C(O)CNC(C)=N;NMGQXVSZUGTAJE-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254786;MM254786;C=C(C)C(O)CNC(C)=O;ZGJZOANDWKIYDD-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254787;MM254787;C=C(C)C(O)CNC(=N)N;DMYZOFXEHPZRQR-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254788;MM254788;C=C(C)C(O)CNC(N)=O;ZFXMWGKUJKVZEM-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254789;MM254789;N=C(N)NCC(O)C(=N)N;UNMKSRFDVUZNFY-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254790;MM254790;C=C(F)C(O)CNC(C)=N;WXLKRUDUBQTTCY-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254791;MM254791;CC(=N)NCC(F)C(C)=O;DNOGGRLRANSNGR-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254792;MM254792;CC(=O)NCC(F)C(C)=O;YPVHHEOXNLSWGD-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254793;MM254793;C=C(F)C(F)CNC(C)=O;BQSQMVJCSMLLCB-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254794;MM254794;C=C(C)C(C)COC(N)=O;CMMGWKNSLVGGRD-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254795;MM254795;CC(=O)C(C)COC(=N)N;XLKLBZRKWCRPHG-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254796;MM254796;C=C(C)OCC(C)C(=N)N;AOMVQZQIMSOWMQ-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254797;MM254797;CC(=O)OCC(C)C(=N)N;HSGSLQWUVGVMSA-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254798;MM254798;CC(COC(=N)N)C(=N)N;BHOWOFMAKWSQOY-UHFFFAOYSA-N;144.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254799;MM254799;CC(COC(N)=O)C(=N)N;APIPVQCURFSZPZ-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254800;MM254800;C=C(C)OCC(C)C(N)=O;ZXBWUENPEGAVSQ-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254801;MM254801;CC(=O)OCC(C)C(N)=O;ASVZTGQTJBAGMQ-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254802;MM254802;Oc1cnoc1;ABFBKQBATYREHU-UHFFFAOYSA-N;85.06;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254803;MM254803;Oc1c[nH]nc1F;ITGHNJOVBQTVQW-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254804;MM254804;C=C(F)C(C)COC(N)=O;UQEUJXXTUXHODC-UHFFFAOYSA-N;147.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254805;MM254805;C=C(C)OCC(N)C(=C)C;BXMQZDVYBVWASO-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254806;MM254806;C=C(C)C(N)COC(C)=O;DSGPSPKYIOACCC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254807;MM254807;C=C(C)C(N)COC(=N)N;GXPRRABISXNIPW-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254808;MM254808;C=C(C)OCC(O)C(=C)C;POHFDOWLWMHYMA-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254809;MM254809;C=C(C)C(O)COC(C)=O;VTUWVOOXELAAOZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254810;MM254810;C=C(C)C(O)COC(=N)N;FGJDUNWZGVTRPV-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254811;MM254811;C=C(C)C(O)COC(N)=O;UNYAMVUIUUVNGG-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254812;MM254812;C=C(C)OCC(O)C(=N)N;SIWNBKZRGLNWMQ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254813;MM254813;N=C(N)OCC(O)C(=N)N;KVSCZPGZBSNUNY-UHFFFAOYSA-N;146.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254814;MM254814;C=C(C)OCC(O)C(N)=O;IOXHNIXGIKIHGV-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254815;MM254815;CC(=O)OCC(O)C(N)=O;UQHPBMXWZQZQFM-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254816;MM254816;N=C(N)OCC(O)C(N)=O;AQAKJPPYQVXJSV-UHFFFAOYSA-N;147.13;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254817;MM254817;N=c1c(=O)onc(O)n1O;CNHHJOGHHRPPFI-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254818;MM254818;C=C(F)C(O)COC(N)=O;LWJHUHXDMWSZGB-UHFFFAOYSA-N;149.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254819;MM254819;C=C(C)C(F)COC(N)=O;GKWTYUAAAZLPSI-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254820;MM254820;CC(=O)C(F)COC(=N)N;WYWKRNWPYIGGFU-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254821;MM254821;COn1nnc(O)c1N;DPGAFCYVTAQYOE-UHFFFAOYSA-N;130.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254822;MM254822;C=C(F)C(F)COC(C)=O;OAFLWVALNJHENQ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254823;MM254823;C=C(F)C(F)COC(=N)N;DLCGTRDXEPRIKF-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254824;MM254824;C=C(F)C(F)COC(N)=O;NYHHGSGIDHQODF-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254825;MM254825;C=C(C)C(C)NCC(N)=O;GKPQIDRFOIIAOG-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254826;MM254826;C=CCC(CO)NN=C;LAWJIJHEGSUBCT-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254827;MM254827;C=C(C)CNC(C)C(=N)N;QOPFEKSXVLRISQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254828;MM254828;C=C(F)CNC(C)C(=N)N;QLHCIKOYCFXJOR-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254829;MM254829;C=C(C)CNC(C)C(N)=O;IIACWIGBGKGLTK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254830;MM254830;C=C(C)C(C)NNC(C)=N;PBHNLSRVPXKQHT-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254831;MM254831;CCC(CO)N(N)C=O;YWGGOUADCTVPDN-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254832;MM254832;CNC(=O)C(=NN)NC;ROOQTIDDRXTPHG-UHFFFAOYSA-N;130.15;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254833;MM254833;C=C(F)C(C)NNC(C)=O;MRIRYGVANPJMRS-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254834;MM254834;C=C(C)C(C)OCC(C)=O;KIYALCPTAPTSTB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254835;MM254835;C=C(C)COC(C)C(C)=O;DWOLGPDNZWWURK-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254836;MM254836;N=c1[nH]c(=O)[nH]nc[nH]o1;RTWUQYXOAAXIQC-UHFFFAOYSA-N;143.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254837;MM254837;C=C(C)COC(C)C(=N)N;WWOOUWQIGYWOBF-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254838;MM254838;CC(OCC(=N)N)C(=N)N;DVJRYPWGADDPPU-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254839;MM254839;CC(OCC(N)=O)C(=N)N;RMLFKQNTSLILBF-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254840;MM254840;C=C(C)COC(C)C(N)=O;GCUAOTLRYYJUKM-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254841;MM254841;C=C(F)COC(C)C(N)=O;CZRSHAAEVHIKLA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254842;MM254842;CC(=O)C(C)ONC(N)=O;AXRWIXQEBOPIPG-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254843;MM254843;CC(=N)NOC(C)C(=N)N;OGIQLGFFEHSVHI-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254844;MM254844;CC(ONC(=N)N)C(=N)N;RPBRWIUZQBAPKG-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254845;MM254845;C=C(C)CCN(C)C(C)=N;XYDUWQCSYCMPTA-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254846;MM254846;CC(=N)N(C)CCC(=N)N;ZRZRLAQJQCYLPN-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254847;MM254847;C=C(C)CCN(C)C(C)=O;IEHRRYCLKJPHLL-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254848;MM254848;C=NNCC(CO)CO;GNBHEIWFVOFIIS-UHFFFAOYSA-N;132.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254849;MM254849;N=CN(C=O)OCCO;VONHISOJFGVHCB-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254850;MM254850;C=C(F)CCN(C)C(C)=O;VPVAKWNJVKLWIY-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254851;MM254851;CN(CCC(=N)N)C(=N)N;RTLJCVLFFYIUSY-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254852;MM254852;CC(=N)N(N)CCC(=N)N;LNCJETDDRJHAIJ-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254853;MM254853;CC(=N)N(N)CCC(N)=O;IPRXYYVQDVAKHD-UHFFFAOYSA-N;144.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254854;MM254854;C=C(F)CCN(N)C(C)=N;WVSUHYJGFVEOLL-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254855;MM254855;CC(=O)N(N)CCC(=N)N;NNHIQFVBTZGPCJ-UHFFFAOYSA-N;144.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254856;MM254856;CC=C(C=NOC)CO;WGNMRMIOQCIGDS-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254857;MM254857;N=C(N)CCN(N)C(=N)N;RQJKTASADMBIBV-UHFFFAOYSA-N;144.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254858;MM254858;N=C(N)N(N)CCC(N)=O;NFTYYQHTAGPCNB-UHFFFAOYSA-N;145.17;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254859;MM254859;C=C(F)CCN(N)C(=N)N;NXYXECKSTMVFLE-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254860;MM254860;N=C(N)CCN(N)C(N)=O;LRRLKWJJJPDPNN-UHFFFAOYSA-N;145.17;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254861;MM254861;OCC1CN=C(CF)N1;YKUCEDOLJJEJEM-UHFFFAOYSA-N;132.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254862;MM254862;NN=c1[nH]n(O)c(=O)n1N;OQVCATSYLXPOJH-UHFFFAOYSA-N;146.11;-3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254863;MM254863;O=CC1=NCC(CO)N1;RLVABJDHHZFJDK-UHFFFAOYSA-N;128.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254864;MM254864;CC(=N)N(O)CCC(C)=O;BGFGZLMEPXTSMM-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254865;MM254865;CC(=N)N(O)CCC(=N)N;BFYVKMGKIWFWJS-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254866;MM254866;CC(=N)N(O)CCC(N)=O;HKROJWQTDJNQDV-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254867;MM254867;C=C(F)CCN(O)C(C)=N;KDYLXCWZZQMLCQ-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254868;MM254868;N=C(N)CCN(O)C(=N)N;PQQDTGBVLQYLDB-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254869;MM254869;N=C(N)N(O)CCC(N)=O;KBYOUQRYEFBUDQ-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254870;MM254870;C=C(F)CCN(O)C(=N)N;CASHNIZTOILRSN-UHFFFAOYSA-N;147.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254871;MM254871;N=C(N)CCN(O)C(N)=O;WNHPPUJIMMLGBK-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254872;MM254872;NC(=O)CCN(O)C(N)=O;JDJACCZANBWPBO-UHFFFAOYSA-N;147.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254873;MM254873;CC(=N)N(C)NCC(C)=O;RSFMGOOBOKRPCP-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254874;MM254874;CON=CCC(C)C(=O)O;BWAOPKWQVHDDJN-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254875;MM254875;C=C(F)CNN(C)C(C)=O;WCAATLQWMUOEDI-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254876;MM254876;CN(NCC(=N)N)C(=N)N;KZTJVSOIKIHIIC-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254877;MM254877;CN(NCC(N)=O)C(=N)N;DIHHIZRVPJZFOG-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254878;MM254878;CN(NCC(=N)N)C(N)=O;XCZPRIKPHSHVHI-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254879;MM254879;CCC(=O)C1NC1CO;SAIWMSITQCTIRJ-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254880;MM254880;COC(=O)C1NC1CO;YULXKFZUTQRMRF-UHFFFAOYSA-N;131.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254881;MM254881;CC(=N)N(C)OCC(C)=O;LYOFQSBYCMRZLE-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254882;MM254882;C=C(F)CON(C)C(C)=N;MITSBAVVMFPALZ-UHFFFAOYSA-N;146.17;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254883;MM254883;C=C(C)CON(C)C(C)=O;BIJNGHYRQIAPOL-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254884;MM254884;C=C(F)CON(C)C(C)=O;WCVZCJDEIMUSQB-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254885;MM254885;CN(OCC(=N)N)C(=N)N;LSMFUPZPVQZISG-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254886;MM254886;CN(OCC(N)=O)C(=N)N;VVFQJTJOEMZBQF-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254887;MM254887;C=C(F)CON(C)C(=N)N;KULJTNLGLTWBLZ-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254888;MM254888;CN(OCC(=N)N)C(N)=O;LBRKUEZLWMEBRM-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254889;MM254889;Cc1nc(=O)nc(O)n1N;YWRDAOSPDFSOHM-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254890;MM254890;C=C(CCC(C)F)C(C)C;SBNGMWWPOKUSNM-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254891;MM254891;C=C(CCC(F)F)C(C)C;JIXQICGWIVBQJU-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254892;MM254892;C=C(CCC(C)N)C(C)N;SVPAZLWYAUETAI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254893;MM254893;C=C(CCC(C)F)C(C)N;LZSBAZQGTJEXBX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254894;MM254894;C=C(CCC(F)F)C(C)N;KCGNLUZHTPBIDV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254895;MM254895;C=CC(=O)C1NC1CO;ZMVVHGBPXIDWCA-UHFFFAOYSA-N;127.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254896;MM254896;N#CC(=N)N1CC1CO;SZITVBUWDZXFFH-UHFFFAOYSA-N;125.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254897;MM254897;C#CC(=O)C1NC1CO;MMZSEFHNADDYSO-UHFFFAOYSA-N;125.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254898;MM254898;C=C(CCC(C)N)C(C)F;CJVXXVPXHCTXGS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254899;MM254899;CNN=CNOCCO;FRKIIPIPVLIBLA-UHFFFAOYSA-N;133.15;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254900;MM254900;C=C(CCC(C)F)C(C)F;HAUHLJXAISSPHI-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254901;MM254901;C=C(CCC(F)F)C(C)F;UPEBEZKNMLSSJP-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254902;MM254902;C=C(CCC(C)N)C(F)F;WNTAHQMQKABFRF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254903;MM254903;C=C(CCC(C)F)C(F)F;GDOCDFTULYASBE-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254904;MM254904;C=C(CCC(F)F)C(F)F;HPXIZSPZQJLIMD-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254905;MM254905;CC(C)CCC(=O)C(C)C;HFNWDYQEGABWQS-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254906;MM254906;CC(O)CCC(=O)C(C)C;MNRNBHGRJQPNFC-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254907;MM254907;CC(F)CCC(=O)C(C)C;BOUGQGGTLQQIBG-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254908;MM254908;CC(C)C(=O)CCC(F)F;GTFBRAPJIPBAJO-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254909;MM254909;CC(C)CCC(=O)C(C)O;RRFIDLDBZJMLAN-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254910;MM254910;CC(F)CCC(=O)C(C)F;ZZIHMBIDERVIIE-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254911;MM254911;CC(F)CCC(=O)C(F)F;XIKCRNJVSPBISQ-UHFFFAOYSA-N;154.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254912;MM254912;C=C(CNC(C)C)C(C)F;PJLSFJRNCSUOQL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254913;MM254913;CC(C)NCC(=O)C(C)C;OUGMCWFCRRKTIV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254914;MM254914;C=C(COC(C)C)C(C)C;YUEZVMDWMPKNLJ-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254915;MM254915;C=C(COC(C)C)C(C)N;YYZURJTVAAUMHG-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254916;MM254916;C=C(COC(C)C)C(C)O;GDDMOCJLMVBVJJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254917;MM254917;CC(N)CNC(=N)C(C)N;AJSZVARNHNQJIE-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254918;MM254918;CC(O)CNC(=N)C(C)N;NYXFUPFAVRUVDP-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254919;MM254919;CC(F)CNC(=N)C(C)N;CYJILXZTSATWMQ-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254920;MM254920;CC(N)CNC(=N)C(C)O;OFDWQJXBBOUZML-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254921;MM254921;CC(O)CNC(=N)C(C)O;FBIHWUYUYWXFNQ-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254922;MM254922;CON=CNOCCO;OHTKPHAPJWNURE-UHFFFAOYSA-N;134.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254923;MM254923;CC=NOCC(C)(C)CO;XOORBQZCYPSPDE-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254924;MM254924;CC(O)CNC(=O)C(C)F;IWDFFEBCGVNZQI-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254925;MM254925;CC(C)ONC(=N)C(C)C;LEPWSAYZXHBEAR-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254926;MM254926;C=C(OCC(C)F)C(C)N;LAMAKPXQBWTADR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254927;MM254927;C=C(OCC(F)F)C(C)N;IHWUWHOLJOPPID-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254928;MM254928;C=C(OCC(C)N)C(C)O;CMPKUFZXASAUMB-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254929;MM254929;C=C(OCC(C)N)C(C)F;FRGYOMPTCNGHMS-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254930;MM254930;CC(O)COC(=O)C(C)C;TWVANRHJFGGUTM-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254931;MM254931;CC(C)COC(=O)C(C)O;WBPAQKQBUKYCJS-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254932;MM254932;CC(F)COC(=O)C(C)F;YOAVQUOURFLAGJ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254933;MM254933;CC(F)C(=O)OCC(F)F;XSPJCCRKSOWSTJ-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254934;MM254934;CC(C)COC(=O)C(F)F;KXAUIPCPTYSFIS-UHFFFAOYSA-N;152.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254935;MM254935;CC(F)COC(=O)C(F)F;OZZOCHBADUFQIQ-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254936;MM254936;C=C(CCN(C)C)C(C)C;QXHWXTKEQZKBJL-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254937;MM254937;C=C(CCN(C)C)C(C)F;MPVFBZBTTLJMTO-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254938;MM254938;CC(C)C(=O)CCN(C)C;ORZXLVOLYLGCSV-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254939;MM254939;CC(O)CCC(=N)N(C)C;QTMSUMIRSGIGSF-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254940;MM254940;CN(C)C(=N)CCC(F)F;HRQHTSSSYFDGMK-UHFFFAOYSA-N;150.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254941;MM254941;CN(O)C(=N)CCC(F)F;NUFVRUXTFPGKKI-UHFFFAOYSA-N;152.14;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254942;MM254942;CC(C)CCC(=O)N(C)C;ANGBPOUMOWHMDC-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254943;MM254943;CC(N)CCC(=O)N(C)C;SACMKSSUVAEAJX-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254944;MM254944;CC(O)CCC(=O)N(C)C;XSILNJNEPDCZHE-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254945;MM254945;CC(F)CCC(=O)N(C)C;KZRYNYZBXBHENS-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254946;MM254946;CN(C)C(=O)CCC(F)F;NPJKYSFKKXRRRP-UHFFFAOYSA-N;151.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254947;MM254947;CC(C)NCC(=N)N(C)N;PALZZTWYGAFUFX-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254948;MM254948;CC(C)OCC(=N)N(C)C;ATSJSIFDBLREFN-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254949;MM254949;CC(C)OCC(=O)N(C)C;WNOWBCBGPPTUTM-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254950;MM254950;CC(C)CNC(=N)N(C)C;OMCPXLCRPCVLGY-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254951;MM254951;CC(N)CNC(=N)N(C)C;MIOWRXXYUMGERY-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254952;MM254952;CC(O)CNC(=N)N(C)N;PTXAWCGVEZMORR-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254953;MM254953;CC(N)CNC(=N)N(C)O;YAOXRXOXTMYSIS-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254954;MM254954;CC(O)CNC(=N)N(C)O;SYABLAUPDUUKMG-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254955;MM254955;CC(F)CNC(=N)N(C)O;IJWGJXNMNXJKAK-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254956;MM254956;CC(O)CNC(=O)N(C)C;CBBPPTNMRXEOMD-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254957;MM254957;CN(O)C=NN(C)CCO;NQOFWXLKGWECIT-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254958;MM254958;CC(=O)N(N)C(=O)C(C)F;NMZUQEHVSCHSAQ-UHFFFAOYSA-N;148.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254959;MM254959;CC(N)CNC(=O)N(C)O;LNPJRYUORBFZRX-UHFFFAOYSA-N;147.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254960;MM254960;CC(O)CNC(=O)N(C)O;CSTAFTMREVWTIU-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254961;MM254961;CC(F)CNC(=O)N(C)O;WYNFMCDZDGVENK-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254962;MM254962;CC(C)NNC(=N)N(C)O;SHCALUVSDZTRNO-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254963;MM254963;CC(N)COC(=N)N(C)C;DNZONXIQFUBKEN-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254964;MM254964;CC(O)COC(=N)N(C)C;MHLRRNXGHTUFAA-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254965;MM254965;CC(N)COC(=N)N(C)O;POUFHKHUMCKWSG-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254966;MM254966;C=NN(CCO)CC(C)O;NOKDJGVNMMRHSP-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254967;MM254967;CN(C)CCC(=N)N(C)O;KAROZMYQGWKXMY-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254968;MM254968;C=C(CCC(C)=O)C(C)C;RNUYQXXGCJJIPA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254969;MM254969;C=C(CCC(=N)N)C(C)C;AAPFOVZKERDGBG-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254970;MM254970;C#CCC(=CC(N)=O)CO;HVAKOWRUDZLRBU-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254971;MM254971;C=C(CCC(=O)O)C(C)C;LAKCNOFQZPORFS-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254972;MM254972;C=C(CCC(=N)N)C(C)N;GMXLYIWSXGKJBM-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254973;MM254973;CN(C)N=CNOCCO;GZDBQUSOSJLDIT-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254974;MM254974;N=C(NOCCO)OC=O;IJGVGEFTPSWPQW-UHFFFAOYSA-N;148.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254975;MM254975;Nn1c(O)ncnc1=NO;MPDMUQFAZPGQOX-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254976;MM254976;C=NOC(=N)NOCCO;PWYHMZYBHFAKLR-UHFFFAOYSA-N;147.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254977;MM254977;C=C(CCC(C)=O)C(C)F;JOQWKJLXLJSCCH-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254978;MM254978;C=C(CCC(=N)N)C(C)F;HFKOGYNQOXXPPK-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254979;MM254979;C=C(CCC(=O)O)C(C)F;ZHLZOSFKVLFXQH-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254980;MM254980;C=C(CCC(C)=O)C(F)F;LIDVVDXMXPTUBE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254981;MM254981;C=C(CCC(=O)O)C(F)F;OBZMTHQURIGIQX-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254982;MM254982;C=C(F)CCC(=C)C(F)F;CXNBESZUZFDAIA-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254983;MM254983;C=C(C)CCC(=O)C(C)C;AFRMPVFYDOTUAB-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254984;MM254984;CC(=O)CCC(=O)C(C)C;GQOZVBVPTAONFU-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254985;MM254985;CC(C=CCC=O)C(=O)O;AUSFZERLKIAHHH-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254986;MM254986;C=C(F)CCC(=O)C(C)C;HKPVCHCJGOLBMV-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254987;MM254987;C=C(C)CCC(=O)C(C)F;NWQZTYSLDSCJSS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254988;MM254988;CC(F)C(=O)CCC(=N)N;MEMNOCBMLCYSFI-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254989;MM254989;C=C(F)CCC(=O)C(C)F;YYIZMHKTWNCVMI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254990;MM254990;C=C(C)CCC(=O)C(F)F;XRDNFWAJZAPGSN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254991;MM254991;O=c1occ(C(F)=CO)o1;RSYQUINIFIFYBP-UHFFFAOYSA-N;146.07;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254992;MM254992;C=C(F)CCC(=O)C(F)F;LKIOFLKBAJDCLA-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254993;MM254993;C=C(CNC(C)=N)C(C)C;OGLYUZWQZKMZKR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254994;MM254994;CNN(C=O)C(=O)C(C)F;QLSOUWDIONHHQU-UHFFFAOYSA-N;148.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254995;MM254995;C=C(CNC(C)=N)C(C)N;KXZSUSUTRBPTME-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254996;MM254996;C=C(CNC(C)=O)C(C)N;LFUYOBCRPBMUBT-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254997;MM254997;C=C(CNC(=N)N)C(C)N;BCRSPRJGXUCXIV-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254998;MM254998;C=C(CNC(N)=O)C(C)N;XRXFLIIHACNIAV-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM254999;MM254999;C=C(CNC(=N)N)C(C)O;LFQIAPBQVHUXDU-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255000;MM255000;C=C(CNC(=N)N)C(F)F;XULYLVYUPFEMQO-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255001;MM255001;CC(O)C(=O)CNC(N)=O;VEIPEWKBAHNCTG-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255002;MM255002;CC(N)=NCC(=O)C(C)F;QHZDVSZNJXXOAZ-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255003;MM255003;CC(=O)NCC(=O)C(C)F;NXYYSNMIVMQPPH-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255004;MM255004;CC(=O)NCC(=O)C(F)F;QDTNPAQHEMGFMP-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255005;MM255005;N=C(N)NCC(=O)C(F)F;GBKFHKIUENPGQO-UHFFFAOYSA-N;151.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255006;MM255006;C=C(COC(=N)N)C(C)C;NSBWCGZZKSDQBM-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255007;MM255007;C=C(COC(N)=O)C(C)C;AKWSPRBIIJXCQI-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255008;MM255008;C=C(COC(=N)N)C(C)N;OIFMNTIHILRZTN-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255009;MM255009;C=C(COC(=N)N)C(C)O;XINVPTGVYCEQEF-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255010;MM255010;C=C(COC(N)=O)C(C)O;AGMMHXSCYXRWJA-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255011;MM255011;C=C(COC(C)=O)C(F)F;UQXJEEBVGQECPK-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255012;MM255012;C=C(COC(=N)N)C(F)F;MTEBTMAOZIODNN-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255013;MM255013;C=C(C)OCC(=O)C(C)C;LQKNZAHXLXZFTK-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255014;MM255014;CC(C)C(=O)COC(=N)N;JYZVMVYBWIKRSA-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255015;MM255015;CC(C)C(=O)COC(N)=O;FWRPMNAJYAWHGT-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255016;MM255016;C=C(C)OCC(=O)C(C)O;VEJMXEPSHFTVSX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255017;MM255017;CC(F)C(=O)COC(N)=O;FFFDEJSTBBSQBI-UHFFFAOYSA-N;149.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255018;MM255018;NC(=O)OCC(=O)C(F)F;YOECSYDQSRPMCQ-UHFFFAOYSA-N;153.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255019;MM255019;CC(=O)CNC(=N)C(C)C;WXEBKTDBQKDNLN-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255020;MM255020;CC(N)C(=N)NCC(=N)N;RNUAZMLZRMMTRS-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255021;MM255021;CC(N)C(=N)NCC(N)=O;JACFUEMFRDDIRK-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255022;MM255022;C=C(C)CNC(=N)C(C)O;GENQCTQYZCADJB-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255023;MM255023;CC(O)C(=N)NCC(=N)N;HJVCYSQMAPKMOI-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255024;MM255024;N=C(N)CNC(=N)C(F)F;OVNLCJCDOALBRR-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255025;MM255025;CN(N=CCCF)C(N)=O;SCUNTNLGWVVLCH-UHFFFAOYSA-N;147.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255026;MM255026;C#CCN=CN(N)C(N)=O;RCLKBIHYQUZSCQ-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255027;MM255027;C=C(F)CNC(=O)C(C)C;DUCKWDUDRNMYSV-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255028;MM255028;C=C(F)CNC(=O)C(C)O;LKULIEOTMYHLGY-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255029;MM255029;CC(C=O)=CC(C)C(=O)O;ATBARKKYXKXSTH-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255030;MM255030;N=C(N)CNC(=O)C(F)F;VKSWYWLUQONZPU-UHFFFAOYSA-N;151.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255031;MM255031;CC(=N)NNC(=N)C(C)C;BJSRYPXPCXSJLZ-UHFFFAOYSA-N;142.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255032;MM255032;CC(N)C(=N)NNC(=N)N;QIUHXAWFVSJKSR-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255033;MM255033;CC(N)C(=N)NNC(N)=O;SRPHPSVSUJTGHQ-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255034;MM255034;CC(O)C(=N)NNC(N)=O;MPZHOLIRPRRBGD-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255035;MM255035;CC(=O)NN=C(N)C(F)F;SCUNZEYHLWYWAR-UHFFFAOYSA-N;151.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255036;MM255036;N=C(N)NNC(=N)C(F)F;CDPULAZOZYRPKL-UHFFFAOYSA-N;151.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255037;MM255037;N=C(NNC(N)=O)C(F)F;MGSBHFKLKYQSKE-UHFFFAOYSA-N;152.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255038;MM255038;Cc1[nH]n(C)c(=O)c1F;SYVBHKWNZGSMMO-UHFFFAOYSA-N;130.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255039;MM255039;CC(N)C(=N)NOC(=N)N;AXLYYTJNERZFCG-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255040;MM255040;CCOC(=N)N(N)C(N)=O;WVSRAUYVCGKATP-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255041;MM255041;CC(=O)ON=C(N)C(F)F;PCBAJYNJKSKVLK-UHFFFAOYSA-N;152.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255042;MM255042;CC(O)C(=O)NOC(N)=O;HADUIFXMNAKBAG-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255043;MM255043;CC(=O)ONC(=O)C(C)F;UKSXNUPKPMFKIY-UHFFFAOYSA-N;149.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255044;MM255044;C=C(OCC(C)=O)C(C)C;UXZJMXFEQIVYIU-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255045;MM255045;C=C(OCC(=N)N)C(C)C;JRAALCJKYBTAOM-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255046;MM255046;C=C(OCC(N)=O)C(C)C;DJUAYTWRAMBCOB-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255047;MM255047;C=C(OCC(=N)N)C(C)N;FVWMKLJIXKEINU-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255048;MM255048;C=C(OCC(C)=O)C(C)O;OKYVGFXAGZRNFD-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255049;MM255049;C=C(OCC(=N)N)C(C)O;OVYBBABBTXKJCS-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255050;MM255050;C=C(OCC(N)=O)C(C)F;ULSPPYAGGBADDV-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255051;MM255051;C=C(OCC(C)=O)C(F)F;FEEPJJGGISNQET-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255052;MM255052;C=C(OCC(N)=O)C(F)F;SYTDXYMOKRCJFY-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255053;MM255053;CC(C)C(=O)OCC(=N)N;KDJHIVQTTBYIFO-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255054;MM255054;CC(C)C(=O)OCC(N)=O;KEONWWUGTBLROR-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255055;MM255055;C=CC1(CO)CC1C(=O)O;FNZDVJZOXFQHMP-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255056;MM255056;C=C(F)COC(=O)C(C)F;GPDWIUKCMDXLIF-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255057;MM255057;CC(N)C(=O)ONC(=N)N;VKPSXCWGYRMORH-UHFFFAOYSA-N;146.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255058;MM255058;CC(O)C(=O)ONC(=N)N;ZUHAXEINFRZFCU-UHFFFAOYSA-N;147.13;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255059;MM255059;CC(O)C(=O)ONC(N)=O;RWSYFKJHJBHACY-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255060;MM255060;C=NN(C)CC(CO)CO;GAYXWIBMCWQFGG-UHFFFAOYSA-N;146.19;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255061;MM255061;CC(F)C(=O)ONC(=N)N;KKGXPADDCINCOX-UHFFFAOYSA-N;149.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255062;MM255062;CC(F)C(=O)ONC(N)=O;SFPLOEZSOZGJGQ-UHFFFAOYSA-N;150.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255063;MM255063;CN(N)C(=N)CCC(=N)N;BYAACRBPFKFIIP-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255064;MM255064;CN(N)C(=N)CCC(N)=O;UZFLFHOKOOKDKP-UHFFFAOYSA-N;144.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255065;MM255065;C=C(F)CCC(=N)N(C)N;LNVJTAFKDWVAJI-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255066;MM255066;CC(=O)CCC(=N)N(C)O;QTHZXFKWXWCEPW-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255067;MM255067;C=C(C)CCC(=O)N(C)C;YQRYLMWCIOMFFH-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255068;MM255068;CN(C)C(=O)CCC(=N)N;FLDZXCXPVPUCSR-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255069;MM255069;NC(=O)OCC1(CF)CN1;QIBWRBZOBFLLSJ-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255070;MM255070;C=C(F)CCC(=O)N(C)C;ODMIRSYOGREYAV-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255071;MM255071;C=C(C)CCC(=O)N(C)N;BLKLJCUCFVGBSI-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255072;MM255072;CN(C)C(=N)CNC(=N)N;ICTBCMPSPUDTIR-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255073;MM255073;CN(C)C(=N)CNC(N)=O;PIYVFMGCJLTEEA-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255074;MM255074;CC(=N)NCC(=N)N(C)N;QZQZJCWNAIWYOB-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255075;MM255075;CN(N)C(=N)CNC(=N)N;HBBPYLZJHXWIER-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255076;MM255076;CN(N)C(=N)CNC(N)=O;RWVRUFBEYYFWMK-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255077;MM255077;CN(O)C(=N)CNC(=N)N;PCAYUCOJTKTVNH-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255078;MM255078;CN(C)C(=O)CNC(=N)N;AVLDVRPGSMROHA-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255079;MM255079;CN(C)C(=O)CNC(N)=O;HDTBOLFHDSCAAC-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255080;MM255080;CC(N)=NCC(=O)N(C)N;BEXDSWNBCNUJIY-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255081;MM255081;C=C(C)OCC(=N)N(C)C;JOORSRFLNAQYLY-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255082;MM255082;CN(C)C(=N)COC(=N)N;KXLKFALHWGZMBH-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255083;MM255083;CN(C)C(=N)COC(N)=O;OMORXMMVCHOEPV-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255084;MM255084;CC(=O)OCC(=N)N(C)N;JQWDJNUYNPXRNP-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255085;MM255085;CN(N)C(=N)COC(N)=O;NSTMVCOSHYXGRY-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255086;MM255086;CN(O)C(=N)COC(=N)N;MPUIMRQZVDBDDK-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255087;MM255087;CC(=O)OCC(=O)N(C)C;CWYWDHYMHWDYPR-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255088;MM255088;CC(CO)N(N)C(=O)CF;DANVVTYKJLAGPS-UHFFFAOYSA-N;150.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255089;MM255089;CN(N)C(=O)COC(=N)N;SWZFVUYQLJBHJY-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255090;MM255090;C=C(C)CNC(=N)N(C)C;VBCUMRFWJCYZHZ-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255091;MM255091;CN(C)C(=N)NCC(=N)N;WPCHZYMLKCNTKG-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255092;MM255092;CN(C)C(=N)NCC(N)=O;FWBXGKQRTATHES-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255093;MM255093;CN(N)C(=N)NCC(=N)N;PEQPEHTZOLXXMU-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255094;MM255094;CN(N)C(=N)NCC(N)=O;ISXIVSCZAGBQLN-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255095;MM255095;C=C(F)CNC(=N)N(C)N;QJYZTNZKHIFIAE-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255096;MM255096;C=C(C)CNC(=N)N(C)O;FSPBWLMSUYZEAP-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255097;MM255097;CN(O)C(=N)NCC(=N)N;WPSDTCCDBVGPFC-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255098;MM255098;CN(O)C(=N)NCC(N)=O;SQKHDMISXIYJDD-UHFFFAOYSA-N;146.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255099;MM255099;CC(=O)CNC(=O)N(C)C;FLQDJKSHCLLFEO-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255100;MM255100;CN(C)C(=O)NCC(=N)N;OJKCWTRCJDQXSV-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255101;MM255101;C=C(F)CNC(=O)N(C)C;DFUQXAWULGSUGS-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255102;MM255102;CN(N)C(=O)NCC(=N)N;KNYLIXGGMLLTGF-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255103;MM255103;C=CN(C)C(=N)C(F)C#N;AALXJYDUZXVERX-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255104;MM255104;CNN=CN(C)OCCO;SRCDWNSOOCSFLD-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255105;MM255105;CC(=O)CNC(=O)N(C)O;RWLHFEGZMMOBDE-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255106;MM255106;CN(O)C(=O)NCC(=N)N;SJHAWGOUPFZGQO-UHFFFAOYSA-N;146.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255107;MM255107;CN(C)C(=N)NNC(N)=O;MWMJQKWTIWTXFG-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255108;MM255108;CC(=N)NNC(=N)N(C)N;BDVTZTOVOSTPKG-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255109;MM255109;CC(=O)NNC(=N)N(C)N;GOQWFXVFLPMTRB-UHFFFAOYSA-N;145.17;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255110;MM255110;CN(N)C(=N)NNC(=N)N;KHAKWOYETMQMLN-UHFFFAOYSA-N;145.17;-2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255111;MM255111;CN(O)C(=N)NNC(=N)N;PFKOSEVMKCIBRG-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255112;MM255112;CC(=N)NNC(=O)N(C)C;GDHROULOJHKFHL-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255113;MM255113;CN(C)C(=O)NNC(=N)N;JUPORQYPONPYKI-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255114;MM255114;CN(C)C(=O)NNC(N)=O;OPLOXOLQDKXROB-UHFFFAOYSA-N;146.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255115;MM255115;CC(=N)NNC(=O)N(C)N;BXRDMCHMRZQQME-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255116;MM255116;CC(=O)NNC(=O)N(C)N;KKTSCEDFKRIHJN-UHFFFAOYSA-N;146.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255117;MM255117;CN(N)C(=O)NNC(N)=O;MTORBTVXEYOESM-UHFFFAOYSA-N;147.14;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255118;MM255118;CC(=O)NNC(=O)N(C)O;RHPXMFMMSHJFGH-UHFFFAOYSA-N;147.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255119;MM255119;CC(=O)ONC(=N)N(C)N;OBUNLLHMZITGLT-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255120;MM255120;CN(C)C(=O)NOC(N)=O;XJQGARDLEYNUBR-UHFFFAOYSA-N;147.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255121;MM255121;CON=CN(C)OCCO;BJYHKVKKYFVBIA-UHFFFAOYSA-N;148.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255122;MM255122;CC(=O)COC(=N)N(C)C;FLZQOMUKGGMYBH-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255123;MM255123;CN(C)C(=N)OCC(=N)N;UBFJZAVIWNZWEL-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255124;MM255124;CN(C)C(=N)OCC(N)=O;FTFSAKJWWWIMRD-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255125;MM255125;CN(N)C(=N)OCC(=N)N;IMFCPQQTGKBDOV-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255126;MM255126;CN(O)C(=N)OCC(=N)N;BOKPIYYDQXVWFT-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255127;MM255127;CN(C)C(=O)OCC(N)=O;HJAKTISGTIXFHX-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255128;MM255128;C=C(F)COC(=O)N(C)C;CAYSRWATSZGSBN-UHFFFAOYSA-N;147.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255129;MM255129;CN(N)C(=O)OCC(=N)N;RAZALACDTBSGNA-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255130;MM255130;CN(C=NC=O)OCCO;OHACEUFWUOXOON-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255131;MM255131;N#CC(CC(N)=O)=NO;VJRPVDXUQCKACR-UHFFFAOYSA-N;127.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255132;MM255132;CC(=N)NOC(=N)N(C)C;PVGNVFJNWDZUDT-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255133;MM255133;CC(=N)NOC(=N)N(C)O;WOIUYCIYUMPPIP-UHFFFAOYSA-N;146.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255134;MM255134;CC(=O)NOC(=O)N(C)C;OGDJYNJKINJDRA-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255135;MM255135;CN(C)C(=O)ONC(=N)N;UVBCLNLNPKDUBI-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255136;MM255136;CN(C)C(=O)ONC(N)=O;LEFVGNHJDSTNCB-UHFFFAOYSA-N;147.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255137;MM255137;CC(=O)NOC(=O)N(C)N;JWBPMBWBIDVDTL-UHFFFAOYSA-N;147.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255138;MM255138;CN(OCCO)C(=N)C=O;MDQJJVBCUVCMKF-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255139;MM255139;C=C(C)C(=C)CCC(F)F;JIQCLBSUDWCOQF-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255140;MM255140;CN(OCCO)C(=N)C#N;NKXUWZKUUYJECL-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255141;MM255141;C=C(CCC(C)F)C(C)=O;BYJRCLSYAKKTOE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255142;MM255142;C=C(CCC(F)F)C(C)=O;QWPWDVLRLBPHCS-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255143;MM255143;C=C(CCC(C)C)C(=N)N;IMUWREZSIQYWBJ-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255144;MM255144;C=C(CCC(C)N)C(=N)N;QWFBBWKJQKPHMQ-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255145;MM255145;C=C(CCC(C)F)C(=N)N;ISYWLDBFLYHXQI-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255146;MM255146;C=C(CCC(F)F)C(=N)N;RTXRNTQDMVTXML-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255147;MM255147;C=C(CO)C(=C)OC=NN;PDKUQVFFTQBDPH-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255148;MM255148;C=C(CO)C(C)=NOCC;QZWUTKUFUCDRAF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255149;MM255149;C=NN=CC(=O)NOCC;CQGCJFJPCIEGGP-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255150;MM255150;C=C(CCC(C)F)C(=O)O;QHLVCIUBDSRNND-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255151;MM255151;C=C(CCC(F)F)C(=O)O;WXUXXANYHBDCOD-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255152;MM255152;C=C(F)C(=C)CCC(F)F;JLYMUBGWUCPQJY-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255153;MM255153;C=C(C)C(=O)CCC(C)C;IXUUJNGXLWWNBZ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255154;MM255154;C=C(C)C(=O)CCC(C)F;CNHZDWBPZXVLPF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255155;MM255155;C=C(C)C(=O)CCC(F)F;SPILKYKJCBIGFU-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255156;MM255156;CC(=O)C(=O)CCC(C)C;AAXZUVHMTFZSFQ-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255157;MM255157;CC(=O)C(=O)CCC(F)F;GIHKHSKZBXFNIZ-UHFFFAOYSA-N;150.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255158;MM255158;CC(C)CCC(=O)C(=N)N;MUESWOZUWOOPHW-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255159;MM255159;CC(F)CCC(=O)C(N)=O;KBLJGNKOIGNHTE-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255160;MM255160;NC(=O)C(=O)CCC(F)F;HWTBYCYJMFCWSW-UHFFFAOYSA-N;151.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255161;MM255161;C=Cc1onc(O)c1N;YPVWWPNEDSHPGD-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255162;MM255162;C=C(F)C(=O)CCC(C)C;FLZZBOCXVSXRCK-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255163;MM255163;C=C(F)C(=O)CCC(C)F;URKZAUNPMXWCMY-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255164;MM255164;C=C(F)C(=O)CCC(F)F;VHZQXIZIBPPYNY-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255165;MM255165;C=C(CNC(C)C)C(C)=O;GBFLHQBNENBKPP-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255166;MM255166;C=C(CNC(C)C)C(=N)N;PEEGRPZKAPSSPB-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255167;MM255167;C=C(COC(C)C)C(=N)N;FPBLTDTVGJUTRM-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255168;MM255168;C=C(C=NOCC=O)CO;WACCQRUSKVLOOI-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255169;MM255169;CC(C)OCC(=O)C(=N)N;RJYNBTCADDFUCV-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255170;MM255170;C=C(C)C(=N)NCC(C)C;JSMZQCXYBTWFBU-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255171;MM255171;CC(N)CNC(=N)C(=N)N;UJZQILKNPXUFOV-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255172;MM255172;CC(O)CNC(=N)C(=N)N;SPKQXCVDKBHBMD-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255173;MM255173;CC(F)CNC(=N)C(=N)N;NEVCHMLRKQOPEO-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255174;MM255174;N=C(N)C(=N)NCC(F)F;TYPPSKSLWDJLDY-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255175;MM255175;C=C(CO)C(C=CF)=NN;PTEFCWJXZCSEOF-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255176;MM255176;CC(=O)C(=O)NCC(C)F;DARDSGUNICUOPI-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255177;MM255177;CC(N)CNC(=O)C(=N)N;TYHUKDPVYHUBQU-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255178;MM255178;CC(O)CNC(=O)C(N)=O;LAUKVUOPGNRLGH-UHFFFAOYSA-N;146.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255179;MM255179;NC(=O)C(=O)NCC(F)F;LYWARTHEFYDZDJ-UHFFFAOYSA-N;152.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255180;MM255180;C=C(F)C(=O)NCC(C)N;AVGZGWLPYCFUNY-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255181;MM255181;C=C(F)C(=O)NCC(C)F;HILNEUIEOIGULG-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255182;MM255182;CC(=O)C(=O)NNC(C)C;OTLZBQXMIUWOBO-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255183;MM255183;C=C(C)C(=N)NOC(C)C;FXPMKCBRQGINAP-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255184;MM255184;C=C(C)C(=O)NOC(C)C;OLJBAHAQNWCHLV-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255185;MM255185;C=C(OCC(C)C)C(=N)N;PLVPJWLVPFZNSV-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255186;MM255186;C=C(OCC(C)N)C(=N)N;JOEQYTMOTAEOLX-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255187;MM255187;C=C(OCC(C)O)C(=N)N;GTJLGTNYCBYRNG-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255188;MM255188;C=C(OCC(C)N)C(N)=O;BMSMOIFPDZTSAN-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255189;MM255189;C=C(OCC(C)F)C(N)=O;TWBTVQGLDIHALR-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255190;MM255190;C=C(C)C(=O)OCC(C)F;SNSAVVYRBBASAQ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255191;MM255191;CC(F)COC(=O)C(=N)N;OEFVLPWGSCRUPA-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255192;MM255192;N=C(N)C(=O)OCC(F)F;RVHMADKQYIDUOP-UHFFFAOYSA-N;152.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255193;MM255193;CC(O)COC(=O)C(N)=O;LYQRLSFQXITLMZ-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255194;MM255194;NC(=O)C(=O)OCC(F)F;BJMHOWYWEZBDPB-UHFFFAOYSA-N;153.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255195;MM255195;C=C(C)C(=C)CCN(C)C;DLSHMHRJPKQQNW-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255196;MM255196;C=C(CCN(C)C)C(N)=O;UYAFNMBGMXYWSZ-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255197;MM255197;C=C(F)C(=C)CCN(C)C;ISXTUZVGSPDYAW-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255198;MM255198;C=C(F)C(=O)CCN(C)C;LZKQCNDJWBLYDU-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255199;MM255199;C=C(C)CCC(=C)C(=C)C;YTOXQASZDFGCKO-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255200;MM255200;C=C(C)C(=C)CCC(C)=O;GMEZVPDMKSPVOT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255201;MM255201;C=C(C)C(=C)CCC(=N)N;LWEZCPFTLWFIEW-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255202;MM255202;C=C(CO)C(CC)=NOC;GKBRVMFLCPMDNE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255203;MM255203;C=C(C)C(=C)CCC(=O)O;QIWWYEAUWIODMU-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255204;MM255204;C=C(F)CCC(=C)C(=C)C;BUGRJWNCYNMPBE-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255205;MM255205;C=C(C)CCC(=C)C(C)=O;GELPCCNYTARJPI-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255206;MM255206;C=C(CCC(C)=O)C(C)=O;FFPAMXZGKPTNDP-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255207;MM255207;C=C(CCC(=N)N)C(C)=O;KAGLOEFUOMWXAI-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255208;MM255208;C=NNC(CO)CCOC;SIAXCJOOXHZTGS-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255209;MM255209;C=C(F)CCC(=C)C(C)=O;AFGSSGFCTJHKDR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255210;MM255210;C=C(C)CCC(=C)C(=N)N;PLOUWYRAUXQBLD-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255211;MM255211;C=C(CCC(=N)N)C(=N)N;WOAGWANGLNYGJY-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255212;MM255212;C=C(CCC(N)=O)C(=N)N;JNOXHXGNZFRTTH-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255213;MM255213;C=C(F)CCC(=C)C(=N)N;DHJZZAATJRABCO-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255214;MM255214;C=NNC(CO)CC=CC;XNIIZGCQSTXLJL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255215;MM255215;C=NNC(CO)CC=CF;JSYVIYGSJPNCRC-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255216;MM255216;C=C(C)CCC(=C)C(=O)O;NBMIJOZCGBJEEY-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255217;MM255217;ON=c1ncc(O)nn1O;CMNHBAIGRGSWDJ-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255218;MM255218;C=C(F)CCC(=C)C(=O)O;CPQBWTBJJGPZLX-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255219;MM255219;C=C(F)C(=C)CCC(C)=O;RXHJFUQJDCZXJO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255220;MM255220;C#CCNN(C=N)C(N)=O;SHZQAWPZAGDKCT-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255221;MM255221;C=C(F)C(=C)CCC(=O)O;FWMVJFIQENLXQN-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255222;MM255222;C=C(C)CCC(=O)C(=C)C;GWVDFTUCXJXDJT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255223;MM255223;C=C(C)C(=O)CCC(=N)N;WWVHCFLBOUUKEG-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255224;MM255224;C=C(C)C(=O)CCC(N)=O;KAKJTRMEYXKDAY-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255225;MM255225;C=C(F)CCC(=O)C(=C)C;CTEKQVDNUVBHMT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255226;MM255226;N=c1nc(O)n(O)c(O)n1;PYZXJADVWMXKIF-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255227;MM255227;C=C(F)CCC(=O)C(N)=O;KPXRYCQPKGGNRE-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255228;MM255228;C=Cn1nnc(C)c1O;PUVBZRVGRUIVOP-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255229;MM255229;C=C(C)CCC(=O)C(=C)F;HBPFRLHOPWBPMQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255230;MM255230;C=C(F)C(=O)CCC(=N)N;YIGPXOCLHKSSRA-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255231;MM255231;C=C(F)C(=O)CCC(N)=O;FIVIEIDPEWZVGN-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255232;MM255232;C=C(F)CCC(=O)C(=C)F;WVUGIPUUVWTHPN-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255233;MM255233;C=C(C)C(=C)CNC(C)=N;HSAFXTNTYNPMRT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255234;MM255234;C=C(CNC(C)=O)C(C)=O;MXHBJNHSTYWUME-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255235;MM255235;C=C(CNC(N)=O)C(=N)N;ZCQDBRHDGHBVCC-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255236;MM255236;N=c1ncc(=O)c(O)no1;ITFNULGIOSCGHC-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255237;MM255237;C=C(F)C(=C)CNC(C)=N;UULFGZBEQHHXFT-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255238;MM255238;C=C(C)C(=O)CNC(C)=O;NNMKJPGGBCHOJK-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255239;MM255239;C=C(C)C(=O)CNC(=N)N;WRTQFGRAKOAQDS-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255240;MM255240;CC(=O)C(=O)CNC(=N)N;XBFGBUMREADSBY-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255241;MM255241;CON(CC=NN)C(N)=O;QFKSIGSCPXNPFJ-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255242;MM255242;C=C(C)C(=C)COC(C)=O;BSOAMSBQABKLQG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255243;MM255243;C=C(C)C(=C)COC(=N)N;VFMKNIDJZKOTQL-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255244;MM255244;C=C(C)OCC(=C)C(C)=O;PLMJQZFLKBLPLM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255245;MM255245;C=C(COC(N)=O)C(C)=O;DXUWEKMWBJDAIF-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255246;MM255246;C=C(C)OCC(=C)C(=N)N;XRHSMQVYHBHYLR-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255247;MM255247;C=C(COC(N)=O)C(=N)N;PJJBMEHWBSOPDH-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255248;MM255248;CNN=CC(CO)=C(C)C;RCNNBQDEVMWHCY-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255249;MM255249;C=C(C)OCC(=O)C(=C)C;TXANLDVYHKLMDH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255250;MM255250;C=C(C)C(=O)COC(N)=O;HDZPXWOWOIXDEC-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255251;MM255251;CC(=O)C(=O)COC(=N)N;BPRDDFWZKGOELQ-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255252;MM255252;C=C(C)OCC(=O)C(=N)N;XHQVGWKOTDGRGV-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255253;MM255253;C=NN(C)C1CC(O)C1C;UDCFREVBVCIXOR-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255254;MM255254;C=C(C)OCC(=O)C(N)=O;FKKXCZYFHOURQS-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255255;MM255255;N=C(N)OCC(=O)C(N)=O;HVFYDIOZAAIXBF-UHFFFAOYSA-N;145.12;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255256;MM255256;C=C(F)C(=O)COC(=N)N;LNVLEMPSAMFQJG-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255257;MM255257;CC(=O)C(=N)NCC(=N)N;LGGGVUJBLNEJMD-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255258;MM255258;C#CC(CO)C(CF)=NN;IMLILWQAJBSDIW-UHFFFAOYSA-N;144.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255259;MM255259;N=C(N)CNC(=N)C(=N)N;FFVQIXIIWYVXHV-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255260;MM255260;N=C(N)C(N)=NCC(N)=O;CNLKIUWQBDNFFX-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255261;MM255261;N=C(N)CN=C(N)C(N)=O;ZZEUBYPMBGTGED-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255262;MM255262;CC=NNCC(CO)CO;PWQIOORRSHMWQO-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255263;MM255263;CN=C(NOCCO)OC;VTBQYIPFNSRNMD-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255264;MM255264;C=CC(F)C(=NO)ON=C;VNALEFOHJIDVCX-UHFFFAOYSA-N;146.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255265;MM255265;NN=c1[nH]cnc(=O)o1;FCHPBQJEWIHVOX-UHFFFAOYSA-N;128.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255266;MM255266;C=CC(C(=O)O)N(C)N=C;XKHPSDBIJUIEFW-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255267;MM255267;Cc1nc(=N)oc(=NN)[nH]1;NXBDJIUXWISKTQ-UHFFFAOYSA-N;141.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255268;MM255268;COC(=NN)NOCCO;DEPUNUQFCPLUJL-UHFFFAOYSA-N;149.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255269;MM255269;N=C(N)CNC(=O)C(=N)N;PVIQFSUOGHTDJK-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255270;MM255270;CC(=O)CNC(=O)C(N)=O;MHRLWFWWZSUELC-UHFFFAOYSA-N;144.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255271;MM255271;N=C(N)CNC(=O)C(N)=O;GPSOPUZYOPJTGL-UHFFFAOYSA-N;144.13;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255272;MM255272;NC(=O)CNC(=O)C(N)=O;SVNMTJICWDGAQJ-UHFFFAOYSA-N;145.12;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255273;MM255273;N=c1nc(O)ncn1O;DVFFFIRVXNBTLH-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255274;MM255274;N=c1cc(F)n(N)c(O)n1;MLFDXFLMUOFCSV-UHFFFAOYSA-N;144.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255275;MM255275;C=Cn1oc(O)nc1=NC;FSOGFIYJXIKMHN-UHFFFAOYSA-N;141.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255276;MM255276;CN=C(C#N)NOCCO;LECSHKBEPKNDFA-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255277;MM255277;CC(=N)NNC(=N)C(=N)N;ZWJDCUZZLOMFQU-UHFFFAOYSA-N;142.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255278;MM255278;N=C(N)C(=N)NNC(N)=O;JJFUVDIXWCDSAX-UHFFFAOYSA-N;144.14;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255279;MM255279;CC(=O)NN=C(N)C(N)=O;OLEOLPPNLOEPAT-UHFFFAOYSA-N;144.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255280;MM255280;CC(=O)CC(=O)C(=O)C=O;OZZVHVJFLVTQEG-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255281;MM255281;C=C(F)C(N)=NNC(C)=O;VNKHEBPMQHXYQT-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255282;MM255282;N=C(N)NNC(=O)C(=N)N;AITAGGQCPKOQJJ-UHFFFAOYSA-N;144.14;-2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255283;MM255283;CC(=O)NNC(=O)C(N)=O;GNNKACXTPIJEMS-UHFFFAOYSA-N;145.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255284;MM255284;N=C(N)NNC(=O)C(N)=O;YDOLEMIYRMELMJ-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255285;MM255285;NC(=O)NNC(=O)C(N)=O;JISUTJNQPJXYDU-UHFFFAOYSA-N;146.11;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255286;MM255286;C#CC(=NN)NOCCO;RCBADJXUFBXABH-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255287;MM255287;CC(=O)ON=C(N)C(=N)N;YAGMDKYSIWDJPF-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255288;MM255288;N=C(N)C(=N)NOC(N)=O;RDXKIWRVJKSIDP-UHFFFAOYSA-N;145.12;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255289;MM255289;CC=C(C=NOC=O)CO;YQBWUHOWBVTIPK-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255290;MM255290;NC(=O)ON=C(N)C(N)=O;JBDRERQPZZSDGE-UHFFFAOYSA-N;146.11;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255291;MM255291;CC=CC(CC=O)C(=O)O;QPCVWEXFKZDHIW-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255292;MM255292;CCNC(=O)C(=NN)NC;HODKIWSLUJNYLD-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255293;MM255293;CC=C(CO)C(C)=NNC;CMOYQVRXTIVYSM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255294;MM255294;CN1CC1CC(C#N)C=O;GXAGTQOYVOZYFS-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255295;MM255295;C=CCc1c[nH]c(N=N)c1;BZUJJJGMSQFGKN-UHFFFAOYSA-N;135.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255296;MM255296;CC(=O)ONC(=O)C(N)=O;AUHBFPXMXDKVDE-UHFFFAOYSA-N;146.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255297;MM255297;NC(=O)ONC(=O)C(N)=O;NYLWTDZMNQFJHW-UHFFFAOYSA-N;147.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255298;MM255298;C=C(C)C(=C)OCC(N)=O;LMXMQXDCKIXNRR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255299;MM255299;C=C(OCC(=N)N)C(=N)N;QYEYGBIUHUDMLU-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255300;MM255300;C=C(OCC(N)=O)C(=N)N;YHJAUAGRHLZUOC-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255301;MM255301;C=C(OCC(=N)N)C(N)=O;RFGICKMYOANQHG-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255302;MM255302;C=C(OCC(N)=O)C(N)=O;MCSXVWNMJJCBOE-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255303;MM255303;CC(=CCCC=O)C(=O)O;UNPCTDBYTHOKGF-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255304;MM255304;C=C(F)COC(=C)C(N)=O;HZUNILVLSFUOLD-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255305;MM255305;C=C(F)C(=C)OCC(C)=O;YADYWMFQWOHHER-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255306;MM255306;Cn1nc(O)c(=O)n1O;MEUVPCYIEDVEFX-UHFFFAOYSA-N;131.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255307;MM255307;CNc1noc(C#N)c1N;YTBWSYRBVOHDRJ-UHFFFAOYSA-N;138.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255308;MM255308;C=C(F)COC(=O)C(=N)N;LUDKPQNOQMDHNH-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255309;MM255309;ON=c1o[nH]c(F)c1F;OARXNXKHXHWWJC-UHFFFAOYSA-N;136.06;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255310;MM255310;C=C(F)COC(=O)C(N)=O;KUPYJTAQHMWMIK-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255311;MM255311;N=c1nn[nH]c(=O)nc1F;RITDLNRZLZLFIE-UHFFFAOYSA-N;143.08;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255312;MM255312;C=C(F)C(=O)OCC(=N)N;GBCQBVOPEKZOPN-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255313;MM255313;C=C(F)C(=O)OCC(N)=O;JEMBDFYORULZAX-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255314;MM255314;CC(=O)C(=O)ONC(=N)N;GLSJRKZEMZUNDO-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255315;MM255315;CC(=O)C(=O)ONC(N)=O;CAHHLGMCTKOKLA-UHFFFAOYSA-N;146.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255316;MM255316;CC(N)C=CC(C)C(C)C;SYYWAPVVSBWVTF-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255317;MM255317;CC(F)C=CC(C)C(C)C;AALGESFLYUXLPU-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255318;MM255318;CC(C)C=CC(C)C(C)N;VYDJQPWSFYMHKB-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255319;MM255319;CC(F)C=CC(C)C(C)N;RMHQFHVXVFDVBC-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255320;MM255320;CC(N)C(C)C=CC(F)F;MFSGEZBJUXTPDU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255321;MM255321;CC(N)C=CC(C)C(C)O;FKDPKRVAUJVBLH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255322;MM255322;C=CC1NC1C(CO)CO;AVZWBCYGNIYYLS-UHFFFAOYSA-N;143.19;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255323;MM255323;O=CC1NC1C(CO)CO;DYXPTQPGUGTEIL-UHFFFAOYSA-N;145.16;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255324;MM255324;CC(N)C=CC(C)C(C)F;PLYITSHISINOJT-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255325;MM255325;C=CC(=C)C1C(CO)N1C;WSPYTJOSBZRVCN-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255326;MM255326;CC(F)C=CC(C)C(C)F;KRHJGDYRQBAKGW-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255327;MM255327;CC(F)C(C)C=CC(F)F;NMDDDDGUPFDOJA-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255328;MM255328;CC(N)C=CC(C)C(F)F;XMGJUYVIWRJRDU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255329;MM255329;CC(C)C=CC(N)C(C)C;URCKVADZARATFF-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255330;MM255330;CC(F)C=CC(N)C(C)C;FOEBMZVVAJTGPA-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255331;MM255331;CC(C)C(N)C=CC(F)F;VLOMZOVAQJHJFA-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255332;MM255332;CC(C)C=CC(N)C(C)N;ZUJRWGLCLMOHGP-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255333;MM255333;CC(C)C=CC(N)C(C)O;IXZJWMZSZVYACY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255334;MM255334;CC(C)C=CC(N)C(C)F;ZCWDWIZCNYQEBE-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255335;MM255335;CC(N)C=CC(N)C(F)F;WVWKOXUHYBWYRS-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255336;MM255336;C#CC(=C)C1C(CO)N1C;XMXHRRXHRBLZJU-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255337;MM255337;CC(N)C=CC(O)C(C)C;JYEWHQWGJCRYDT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255338;MM255338;CC(O)C=CC(O)C(C)C;DRLRWJYGSAACFV-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255339;MM255339;CC(F)C=CC(O)C(C)C;LXIGHZUMUDTPQZ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255340;MM255340;CC(N)C=CC(O)C(C)N;AWRWAQFFMVHXOF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255341;MM255341;CC(F)C=CC(O)C(C)O;XNJPGKHMIYCXRW-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255342;MM255342;CC(O)C=CC(O)C(F)F;LTLAHAWZERWYTE-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255343;MM255343;CC(N)C=CC(F)C(C)C;HMCIEBVUTGAGBG-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255344;MM255344;CC(F)C=CC(F)C(C)F;RVOOBBPTZOEMIJ-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255345;MM255345;CC(N)C(C)C=NN(C)C;MEYBXHXPBKFXCU-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255346;MM255346;CC(C)C(N)C=NN(C)C;NWUILFROYDQWID-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255347;MM255347;CC(N)C(N)C=NN(C)C;JNTONNSOQNFMBM-UHFFFAOYSA-N;144.22;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255348;MM255348;C=COC(=C)C1NC1CO;OFFNXCFMXVETBF-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255349;MM255349;CC(N)C(O)C=NN(C)C;RXLDKPLXXIOWMT-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255350;MM255350;CCNN=CNOCCO;TXPBSKWXXDWRSX-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255351;MM255351;CC(N)C(F)C=NN(C)C;RLAFAUOUVYUJLZ-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255352;MM255352;CC(C)C(C)N=CN(C)C;WHIPTFFPQNJKSM-UHFFFAOYSA-N;142.25;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255353;MM255353;CC(N)C(C)N=CN(C)C;FIMYCLFUZWFDTI-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255354;MM255354;CC(N)C(C)N=CN(C)O;MELNZKHNFYOJBA-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255355;MM255355;CC(C)C=CC(C)N(C)C;AHNLEGSIVANKRR-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255356;MM255356;CC(O)C=CC(C)N(C)C;VQGINJNNVHDJOG-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255357;MM255357;CC(F)C=CC(C)N(C)C;ZBFKIYZLFVQWIK-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255358;MM255358;CC(C)N=CN(N)C(C)C;IYTSHCCCPZXYSH-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255359;MM255359;CC(C)C=NN(C)C(C)C;RTSVHSQUTLPYHQ-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255360;MM255360;CCON=CNOCCO;SCASTZAKIJDTEW-UHFFFAOYSA-N;148.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255361;MM255361;CN1C(C=CC=O)C1CO;OYEABKRBUFNFIH-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255362;MM255362;CC(=O)C=CC(C)C(C)C;LJNTUYJXRDIJIV-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255363;MM255363;CC(C)C(C)C=CC(=N)N;RNWHRWQHJPXILA-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255364;MM255364;C=NN=CC1C(CO)N1C;JSLKAGRYKTZCEB-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255365;MM255365;CC(C)C(C)C=CC(=O)O;UJBNVEIZOFXDBG-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255366;MM255366;C=C(C)C=CC(C)C(C)N;YATJFYNEGACKPX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255367;MM255367;CC(N)C(C)C=CC(=N)N;WBHGAEOQXCZJDE-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255368;MM255368;C=C(F)C=CC(C)C(C)N;RDXCXIVMOGRLSB-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255369;MM255369;C#CC=CC1C(CO)N1C;GGOUVAQQCYHBMW-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255370;MM255370;N=CN1CC=C(CO)C=N1;NHYPEPBBFNVPSD-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255371;MM255371;CC(=O)C=CC(C)C(C)F;KGQCYESKHOIGGJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255372;MM255372;CC(F)C(C)C=CC(=N)N;PRAZFUWKABTUSF-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255373;MM255373;O=CN1CC=C(CO)C=N1;AGAWSWGOCOTOPX-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255374;MM255374;CC(F)C(C)C=CC(=O)O;IYVSAOJNYPFFJU-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255375;MM255375;C=C(C)C=CC(C)C(F)F;VSHPJSLQYXDTIG-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255376;MM255376;CC(=O)C=CC(C)C(F)F;RGFZPHKKUYVAOT-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255377;MM255377;C=C(F)C=CC(C)C(F)F;ABIDNAYQTBGJNX-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255378;MM255378;C=C(C)C=CC(N)C(C)C;PDRRTEOKBOHCGN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255379;MM255379;CC(C)C(N)C=CC(=N)N;IOCXLSVZPPYQOF-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255380;MM255380;CC(C)C(N)C=CC(N)=O;CDCZFWKZUDIMOD-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255381;MM255381;C=C(F)C=CC(N)C(C)C;ADWPXFGHEIRWKG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255382;MM255382;CC(O)C(N)C=CC(=N)N;IWQPCLAVTYSGJW-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255383;MM255383;C=C(C)C=CC(N)C(C)F;FKVWCADMMNBOBS-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255384;MM255384;N=C(N)C=CC(N)C(F)F;IGQOSXSOVKLHAC-UHFFFAOYSA-N;149.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255385;MM255385;C=NN1CCC2(CO)CC12;OYPMOHOVPGNAOT-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255386;MM255386;CC(=O)C=CC(O)C(C)C;FELIVJIJRSRLNH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255387;MM255387;C=C(C)C=CC(O)C(C)O;CBDDNGCGSKNDSL-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255388;MM255388;CC(F)C(O)C=CC(=N)N;HSHKHAZQTUMOAF-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255389;MM255389;N=C(N)C=CC(O)C(F)F;UMARQXQKCPFFAE-UHFFFAOYSA-N;150.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255390;MM255390;N#Cc1[nH]oc(=O)c1N;YZSNVNPCDGLLIX-UHFFFAOYSA-N;125.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255391;MM255391;CC(=O)C=CC(F)C(C)C;ZMWGAUJYIHSNFL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255392;MM255392;CC(N)C(F)C=CC(=N)N;BZKCNBKQZSTSQN-UHFFFAOYSA-N;145.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255393;MM255393;CC(O)C(F)C=CC(=N)N;KVDJJRWQSDMWNY-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255394;MM255394;CC(F)C(F)C=CC(=O)O;CDDORVLGRUVPQW-UHFFFAOYSA-N;150.12;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255395;MM255395;C=C(F)C=CC(F)C(C)F;NGRDFFFGAVEQKX-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255396;MM255396;C=C(C)C=CC(C)N(C)C;OKIKWIIBHORKKK-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255397;MM255397;CC(C=CC(N)=O)N(C)C;LCLLVLPJUURIDR-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255398;MM255398;C=C(F)C=CC(C)N(C)C;RDLNTJVVAKYAHD-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255399;MM255399;NN=C1C=CC2(CO)CC12;KEBDOAWLVLDQLC-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255400;MM255400;CC(C)N(C)C=NC(=N)N;FXYKQOAUWRRIBY-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255401;MM255401;C=CC1NC1CO;MZMSHOIJRIBXLG-UHFFFAOYSA-N;99.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255402;MM255402;C=C(C)C=NN(C)C(C)C;YKRVNHGQPIMKJC-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255403;MM255403;CN(C)N(C)C=NC(=N)N;XIPJUSIFOXQZOI-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255404;MM255404;CC1C(CO)N1C;PZLVXSZINFWTSE-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255405;MM255405;C=C(C)C(C)C=CC(C)N;YNDZHDWGQJEUAJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255406;MM255406;C=C(C)C(C)C=CC(C)F;CZTNLCUFCBAWIG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255407;MM255407;CC(=O)C(C)C=CC(C)C;KOGHCKJBWYSCCZ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255408;MM255408;CC(=O)C(C)C=CC(F)F;KILYIUSAOSXQIF-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255409;MM255409;CC(C)C=CC(C)C(=N)N;GLJRQHZIKXUWQK-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255410;MM255410;CC(N)C=CC(C)C(=N)N;IVEFMSNXDZCUPR-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255411;MM255411;CC(C=CC(F)F)C(=N)N;NTJQXTDFHQNINJ-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255412;MM255412;CC(CO)N(N)C=O;OITCDRMSKWESCD-UHFFFAOYSA-N;118.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255413;MM255413;CC(F)C=CC(C)C(N)=O;ZFMCNTFCPNQKEN-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255414;MM255414;CC(C=CC(F)F)C(N)=O;JZFBRFSPHAMFDO-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255415;MM255415;CC(F)C=CC(C)C(=O)O;UGZDEFLTLBHEMT-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255416;MM255416;CC(C=CC(F)F)C(=O)O;LNLHSKREPSMWBO-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255417;MM255417;C=C(F)C(C)C=CC(C)N;UIEKONOJYYXHBQ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255418;MM255418;C=C(F)C(C)C=CC(F)F;AZSLZBFOYATAQK-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255419;MM255419;C=C(C)C(N)C=CC(C)C;UBWPWRLAWRDJNW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255420;MM255420;C=C(C)C(N)C=CC(C)O;VAUAUEVVNFPZEJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255421;MM255421;C=C(C)C(N)C=CC(C)F;ZGYBDRVBOBFSNR-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255422;MM255422;C=C(C)C(N)C=CC(F)F;KPHZKZVNAQKCLY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255423;MM255423;CC(C)C=CC(N)C(=N)N;PNTJYIGYUOKGII-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255424;MM255424;N=C(N)C(N)C=CC(F)F;BKJXOCMQKNHIQX-UHFFFAOYSA-N;149.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255425;MM255425;C=C(C=NOC)CO;JVSNRVLRTZRHDU-UHFFFAOYSA-N;115.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255426;MM255426;C=C(C)C(O)C=CC(F)F;MXUKJYGCTYBZQI-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255427;MM255427;CC(F)C=CC(O)C(=N)N;HMWQLAFZSQBCRL-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255428;MM255428;CC(F)C=CC(O)C(N)=O;UOMDSGBNSFUPHB-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255429;MM255429;C=C(F)C(O)C=CC(C)C;YOOBQHOSMXGBAF-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255430;MM255430;C=C(C)C(F)C=CC(C)C;IPVIGAMWXCYXBC-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255431;MM255431;C=C(C)C(F)C=CC(C)F;BMHTYJRSZKLHEB-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255432;MM255432;CC(=O)C(F)C=CC(C)C;LFFBCFPNNFZLID-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255433;MM255433;CC(=O)C(F)C=CC(C)F;YVCWSPZMVMURTD-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255434;MM255434;CC(F)C=CC(F)C(N)=O;FGRFJPDMWNWZBC-UHFFFAOYSA-N;149.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255435;MM255435;CC(C)C=CC(F)C(=O)O;SZNZJZGWYKWJFV-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255436;MM255436;CC(F)C=CC(F)C(=O)O;VZMXAHRSUSBOIS-UHFFFAOYSA-N;150.12;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255437;MM255437;CC(C=NN(C)C)C(=N)N;BNSNKNRHAWUYRQ-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255438;MM255438;NC(=O)C(=O)NOCC=O;VIQNWLNKBKBTMG-UHFFFAOYSA-N;146.1;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255439;MM255439;CN(C)N=CC(N)C(=N)N;QSFPTJSZDSHYRU-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255440;MM255440;CN(C)N=CC(O)C(=N)N;ZDFBTOLMLJHOKO-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255441;MM255441;CC1(CF)NC1CO;XUYARTKNMZSCMH-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255442;MM255442;C=C(C)C(C)N=CN(C)C;PMDHLFJPNUKSDS-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255443;MM255443;C=C(C)C(C)N=CN(C)N;FIKSIBVTTVUHAM-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255444;MM255444;CC(N=CN(C)O)C(=N)N;NAICWRCOIWJAQE-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255445;MM255445;N#CC(=NO)OC(N)=O;JOVFIJWPNMRXCA-UHFFFAOYSA-N;129.08;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255446;MM255446;CC(=O)N(C)C=CC(C)C;CAYSVYLGKAPART-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255447;MM255447;CC(=O)N(C)C=CC(C)N;JGLIJIPXZPHMFI-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255448;MM255448;CC(=O)N(C)C=CC(C)F;AHIQJWWQSLETLI-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255449;MM255449;CC(C)C=CN(C)C(=N)N;GRCUKRDFKRYOEU-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255450;MM255450;CC(O)C=CN(C)C(=N)N;XZXTWZKEYSMCPG-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255451;MM255451;CC(N)C=CN(C)C(N)=O;WWJINFFSUZKPNH-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255452;MM255452;CN(C=CC(F)F)C(N)=O;JCUDVNSRDUWTQJ-UHFFFAOYSA-N;150.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255453;MM255453;CC(=O)N(N)C=CC(C)C;DOHGWOGXWIGQEO-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255454;MM255454;CC(O)C=CN(N)C(=N)N;JRQDGDLJAUEGNJ-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255455;MM255455;CC(F)C=CN(N)C(=N)N;BAUIPUBDXGJURC-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255456;MM255456;N=C(N)N(N)C=CC(F)F;UDWOCNKFYLJGOU-UHFFFAOYSA-N;150.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255457;MM255457;C=NNC(CC)CO;FWNXQTUFEGLRMK-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255458;MM255458;CC(F)C1NC1CO;UNUYOEAWOSQFPX-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255459;MM255459;CC(=N)N(O)C=CC(C)O;JOAKQQGQXUKFQJ-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255460;MM255460;CC(=N)N(O)C=CC(C)F;HGXXCOMFCXUFOI-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255461;MM255461;CC(=O)N(O)C=CC(C)C;BMGZWLVYUKGPJC-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255462;MM255462;CC(=O)N(O)C=CC(C)O;ZWBMHVUEMHSWGO-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255463;MM255463;CC(=O)N(O)C=CC(F)F;DQJLOFSSAMWNHN-UHFFFAOYSA-N;151.11;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255464;MM255464;CC(C)C=CN(O)C(=N)N;XFMZKIMXANOAQG-UHFFFAOYSA-N;143.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255465;MM255465;CC(N)C=CN(O)C(=N)N;DCERMHMIBHMGCM-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255466;MM255466;CC(O)C=CN(O)C(=N)N;BUPSBSUQLKXMEK-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255467;MM255467;CC(F)C=CN(O)C(=N)N;CMIFFWJWPIDJED-UHFFFAOYSA-N;147.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255468;MM255468;CC(C)C=CN(O)C(N)=O;LSLWPVUDXHGJIC-UHFFFAOYSA-N;144.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255469;MM255469;CC(=O)N(C)C=NC(C)C;BLMKGBOCNVMRJC-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255470;MM255470;CC(=N)N(N)C=NC(C)C;HOVVEBKBLRAALK-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255471;MM255471;CC(=O)N(N)C=NC(C)C;YXSLBJUAUMPDTH-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255472;MM255472;CC(C)N=CN(N)C(=N)N;CAFUROPNIRUBGF-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255473;MM255473;OCC1NC1C(F)F;OSWCZGLQTODXMY-UHFFFAOYSA-N;123.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255474;MM255474;CC(C)N=CN(O)C(=N)N;SRYYUXGQZNWVEA-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255475;MM255475;CC(C)N=CN(O)C(N)=O;FNRDGKPHYWUMGQ-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255476;MM255476;CC(=O)N(C)N=CC(C)C;MJIACBNGMQNQAQ-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255477;MM255477;CC(N)C=NN(C)C(=N)N;JOIMDYLZXWMXKL-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255478;MM255478;CC(O)C=NN(C)C(=N)N;BLDNVFBXCYEPRJ-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255479;MM255479;CC(N)C=NN(C)C(N)=O;KXXHJKORYVAYCK-UHFFFAOYSA-N;144.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255480;MM255480;C=C(C)C1NC1CO;BYVVXNUSFFYSHI-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255481;MM255481;CN1C(CO)C1CF;BGRZMTSGDPRAHX-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255482;MM255482;CC(=N)N(C)C=NN(C)C;CLTXFUYHBJLBLZ-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255483;MM255483;CC(=O)N(C)C=NN(C)C;ZMFNPYGMELUWNP-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255484;MM255484;CC=CC1NC1CO;HEKSMCQNOXAMPG-UHFFFAOYSA-N;113.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255485;MM255485;CC(=N)N(N)C=NN(C)C;BLUQLCIHGYCOMK-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255486;MM255486;CC(=O)N(N)C=NN(C)C;ZUJZCWTVCUEVMK-UHFFFAOYSA-N;144.18;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255487;MM255487;OCC1NC1C=CF;XPKKSHXNNCEAFQ-UHFFFAOYSA-N;117.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255488;MM255488;CC(=O)N(C)N=CN(C)C;HGOWNRVGIQONCS-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255489;MM255489;NN=CC1NC1CO;NJUGMNJTVMTCIQ-UHFFFAOYSA-N;115.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255490;MM255490;C=C(C)C(C)C=CC(=N)N;FNJOCDSWOPGVOU-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255491;MM255491;C=C(C)C(C)C=CC(=O)O;YECYKDVUCDOQAY-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255492;MM255492;C=C(C)C=CC(C)C(C)=O;LYPVBORJZCRWNY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255493;MM255493;CC(=O)C=CC(C)C(C)=O;GECKHNWIDAJIMS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255494;MM255494;C=C(F)C=CC(C)C(C)=O;LROPIYDDVGEWNG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255495;MM255495;C=C(C)C=CC(C)C(=N)N;ZSGHNMWDOLIQRC-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255496;MM255496;CC(C=CC(=N)N)C(=N)N;OLNLZMIJZCDWAJ-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255497;MM255497;C=C(F)C=CC(C)C(=N)N;DRRXWUAUQJKGSG-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255498;MM255498;CC(C)(F)C1NC1CO;JQOLIBWUXNZZDO-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255499;MM255499;CC(C=CC(=N)N)C(N)=O;WBJWBUBFWLJMTI-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255500;MM255500;CC(F)(F)C1NC1CO;BOHQETQRXPGPIO-UHFFFAOYSA-N;137.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255501;MM255501;C=C(C)C=CC(C)C(=O)O;XDFXFQCBSORCKZ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255502;MM255502;C=C(F)C(C)C=CC(C)=O;HUABJIAPDHJYJN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255503;MM255503;C=C(F)C(C)C=CC(=N)N;GRLYWXNCBPGZAQ-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255504;MM255504;C=C(C)C=CC(N)C(=C)C;ARJDEAOBMJEYHG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255505;MM255505;C=C(C)C(N)C=CC(N)=O;KTBYHXAOQRKMGN-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255506;MM255506;C=C(F)C=CC(N)C(=C)C;XPBIJJXBQQDLGO-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255507;MM255507;C=C(C)C=CC(N)C(=N)N;FTAQGWHJEGXSHZ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255508;MM255508;C=C(C=NOC=O)CO;BFDAQLBZOQOHBE-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255509;MM255509;C=C(C)C(O)C=CC(C)=O;SWTRDCPACYQZQV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255510;MM255510;C=C(C)C(O)C=CC(=N)N;JTTWOQVLZRUAHH-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255511;MM255511;CC1(C)OC1CC(=O)O;NQLANPJAIKFEAJ-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255512;MM255512;C=C(F)C=CC(O)C(C)=O;RWDOHLUZCFIQKS-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255513;MM255513;N=C(N)C=CC(O)C(=N)N;UJHUIVYZJQDLPA-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255514;MM255514;COC1(CC(=O)O)CC1;NCPHNERIMKBGLV-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255515;MM255515;C=C(F)C(O)C=CC(N)=O;GOZVXYCEVUHOOB-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255516;MM255516;C=C(C)C=CC(F)C(=C)C;WBPAGHHJTMPVTB-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255517;MM255517;C=C(C)C(F)C=CC(C)=O;KYAAQWAXQFZQTD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255518;MM255518;C=C(C)C=CC(F)C(C)=O;BAETVVSCJXZGKD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255519;MM255519;C=C(F)C=CC(F)C(C)=O;FALFXLSQLYVBSO-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255520;MM255520;CC(=O)C=CC(F)C(N)=O;GSKRTBKJFGXKDA-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255521;MM255521;CONC(=O)COCC#N;KFRDBYFRPIMAOP-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255522;MM255522;C=C(C)C=CN(C)C(C)=N;NLHJVJPCVMJFDJ-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255523;MM255523;C=C(C)C=CN(C)C(C)=O;BYTRPAHYPRKISO-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255524;MM255524;CC(=O)C=CN(C)C(C)=O;AJIVOUNIUCGZMW-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255525;MM255525;C=C(F)C=CN(C)C(C)=O;JPDDCSVCVXQMMV-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255526;MM255526;C=C(C)C=CN(C)C(=N)N;QDOFSNDFUZKRKN-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255527;MM255527;CN(C=CC(N)=O)C(=N)N;MAKIPEZSUFWOCX-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255528;MM255528;CN(C=CC(=N)N)C(N)=O;VNIWAZGEXPMRDH-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255529;MM255529;CC(=COC=NN)CO;KSXACPLAQXVQFP-UHFFFAOYSA-N;130.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255530;MM255530;C=C(F)C=CN(C)C(N)=O;XJZAEKBHNVBSAC-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255531;MM255531;C=C(C)C=CN(N)C(C)=N;CKXXJIXOAQTSPN-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255532;MM255532;CC(=N)N(N)C=CC(=N)N;SMZWTOADPYBBAH-UHFFFAOYSA-N;141.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255533;MM255533;C=C(F)C=CN(N)C(=N)N;FRGISAWXNXPDCO-UHFFFAOYSA-N;144.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255534;MM255534;N=C(N)C=CN(N)C(N)=O;QVFKBMMQCGNCOI-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255535;MM255535;C#CCOCC(=O)NOC;AEODDEFKCKNULS-UHFFFAOYSA-N;143.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255536;MM255536;C=C(C)C=CN(O)C(C)=N;HLJUGBNAXLWYGF-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255537;MM255537;CC(=N)N(O)C=CC(=N)N;JHEYQKBMIWVNAS-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255538;MM255538;CC(=N)N(O)C=CC(N)=O;JTRHSHCBMLAXDO-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255539;MM255539;NC=C(C=O)CCC(=O)O;DCBGCKWPNLVMTE-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255540;MM255540;CC(=O)C=CN(O)C(=N)N;VOIYSFPYGXFBKB-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255541;MM255541;N=C(N)C=CN(O)C(=N)N;XJUCCGQXIFPFPK-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255542;MM255542;CC(=O)C=CN(O)C(N)=O;HJNIXNPWMPJMGF-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255543;MM255543;C=C(F)C=CN(O)C(N)=O;CCVXWDHAHVZICO-UHFFFAOYSA-N;146.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255544;MM255544;C=C(CO)C(C)=NNC;ISDRVRVLDCWFSX-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255545;MM255545;CC(=N)N(C)C=NC(N)=O;SLHVTZHHUVSFQW-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255546;MM255546;CN(C=NC(=N)N)C(=N)N;FXLCJRVENSXPCZ-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255547;MM255547;CN(C=NC(N)=O)C(=N)N;KWFBDXNISKWLKP-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255548;MM255548;CC(C)=CC1NC1CO;WINLWFZPISXDGS-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255549;MM255549;CN(C=NC(=N)N)C(N)=O;PKCQETLMWBBSJQ-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255550;MM255550;CN(C=NC(N)=O)C(N)=O;KCYXGAWIWYGHDQ-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255551;MM255551;C=C(C)N(N)C=NC(=N)N;QECSWHKYAPZEPR-UHFFFAOYSA-N;141.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255552;MM255552;CC(=N)N(N)C=NC(=N)N;CYDFDTOZLJJBGY-UHFFFAOYSA-N;142.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255553;MM255553;CC(=N)N=CN(N)C(=N)N;XMHYEPNBZJERRV-UHFFFAOYSA-N;142.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255554;MM255554;N=C(N)N=CN(N)C(=N)N;CIIFBUCWOCNLBS-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255555;MM255555;N=C(N)N(N)C=NC(N)=O;NCEWOIYSRJNSET-UHFFFAOYSA-N;144.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255556;MM255556;C=C(CO)C(CC)=NN;BLTDDKKQFACEAB-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255557;MM255557;N=C(N)N=CN(N)C(N)=O;GEIGZQKASILTPL-UHFFFAOYSA-N;144.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255558;MM255558;N#CC1(CNC=O)CN1;KQAVLKNGWNDURC-UHFFFAOYSA-N;125.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255559;MM255559;N=C(N)N=CN(O)C(=N)N;AJNUOYFNMDDWJR-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255560;MM255560;CC(=N)N=CN(O)C(N)=O;NWIRFAYLMJRMFJ-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255561;MM255561;CC(=O)N(C)N=CC(=N)N;ZGQQXQCJEBIEIA-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255562;MM255562;CN(N=CC(=N)N)C(=N)N;GIYRQYQFKBHENF-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255563;MM255563;CN(N=CC(N)=O)C(=N)N;RMULANHBRVEEDB-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255564;MM255564;C=C(F)C=NN(C)C(=N)N;TUWUPALUIINVEV-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255565;MM255565;CN(N=CC(=N)N)C(N)=O;LKMPNCSJJNXRIJ-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255566;MM255566;CN(N=CC(N)=O)C(N)=O;LGZWHUIZCCITOR-UHFFFAOYSA-N;144.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255567;MM255567;C=C(C=CC(F)F)C(C)C;FHODXWOYTLLGRP-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255568;MM255568;C=C(C=CC(F)F)C(C)N;QADLEBSZIQEGIX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255569;MM255569;NN=C1C=NN(C=O)C1;PTTCPXUDDUYHOA-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255570;MM255570;C#Cc1nc(NC)c[nH]1;RWXMNUIHMQCOOU-UHFFFAOYSA-N;121.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255571;MM255571;C=C(C=CC(F)F)C(C)F;UZJOETSMKAJTIR-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255572;MM255572;CC(C)C=CC(=O)C(C)C;FXHCGFPVKLZHCE-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255573;MM255573;CC(F)C=CC(=O)C(C)C;OZGCBCKPNPLVCU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255574;MM255574;CC(C)C=CC(=O)C(C)O;TURPVUGEALHLNF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255575;MM255575;CC(C)C=CC(=O)C(C)F;YTBBURKCQVEKLV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255576;MM255576;CC(F)C=CC(=O)C(C)F;COBHKUPTUVBNNE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255577;MM255577;CC(C)C(=O)C=CN(C)C;KLNDLIOPBBBDGL-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255578;MM255578;C#Cc1c[nH]c(N=N)c1;DHGVQRWVAUECBU-UHFFFAOYSA-N;119.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255579;MM255579;CC1(C2NC2CO)CO1;NYHUGYUQSIHEPX-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255580;MM255580;CN1CC1C1(CO)CC1;DLHGIJQAKCTNFX-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255581;MM255581;CC(O)C(=O)N=CN(C)O;DYKWFHHCFSEKQP-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255582;MM255582;CN(O)C=NC(=O)C(F)F;YCSMQXGZYVBPSH-UHFFFAOYSA-N;152.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255583;MM255583;CN(O)C(=N)C=CC(F)F;JPBITSUDPOIQSN-UHFFFAOYSA-N;150.13;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255584;MM255584;CC(C)C=CC(=O)N(C)C;WBFYIFXVQGCBIK-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255585;MM255585;CC(C)C=CC(=O)N(C)N;HSUOSNLOSXSFCH-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255586;MM255586;CC(C)C=CC(=O)N(C)O;SYJFXPQYYKWDMV-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255587;MM255587;CC(F)C=CC(=O)N(C)O;UGFCTHOLJDTFFQ-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255588;MM255588;CN(C)N=CC(=N)N(C)C;LPBDECXXUIXERK-UHFFFAOYSA-N;142.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255589;MM255589;C=C(CC)C1NC1CO;NTTPDBBMCZJCDN-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255590;MM255590;CN(O)C=NC(=N)N(C)C;YRQDQLGJHCBMPC-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255591;MM255591;CN(C)C=NC(=N)N(C)N;DRLCWZXXRVGPPS-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255592;MM255592;CN(C)C=NC(=N)N(C)O;ORLMUVAYWOGQJP-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255593;MM255593;CN(N)C=NC(=O)N(C)C;CYKDRZKNGCCFQW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255594;MM255594;C=CC(=C)C1NC1CO;ONIKBTJVXYTMOF-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255595;MM255595;CN(C)C=NC(=O)N(C)N;HFKMNCOUBDZORR-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255596;MM255596;C=C(C=CC(C)=O)C(C)C;ZCAGAXBLHZNQEO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255597;MM255597;C=C(C=CC(=N)N)C(C)C;FGZWXZJATPYUBH-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255598;MM255598;N=C(C=O)N1CC1CO;BAIRVCUKXDUYBF-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255599;MM255599;C=C(C=CC(=O)O)C(C)C;CTVASJNGSCAZPI-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255600;MM255600;C=C(C=CC(=N)N)C(C)N;YVGMPBGYFBHYJK-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255601;MM255601;C#CC(=C)C1NC1CO;XYPRMVRTGMJOCP-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255602;MM255602;CC=C(C)C1NC1CO;FCOQWZJRICQGPM-UHFFFAOYSA-N;127.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255603;MM255603;NC=CC(=O)CCC(=O)O;HNHURNHURIAEGD-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255604;MM255604;CC(=CF)C1NC1CO;KFBLJXHQCJMDPW-UHFFFAOYSA-N;131.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255605;MM255605;C=C(C=CC(C)=O)C(C)F;JQQLLRMHBGVCOF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255606;MM255606;C=C(C)C=CC(=O)C(C)C;AMLBHJUNKMBCEA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255607;MM255607;CC(=O)C=CC(=O)C(C)C;BWSZTLQPKADLGT-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255608;MM255608;CCC(C(=O)O)C(F)CO;QKZMSYJSULAFMT-UHFFFAOYSA-N;150.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255609;MM255609;C=C(F)C=CC(=O)C(C)C;BZPRNODMORYFMT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255610;MM255610;CC(=O)C=CC(=O)C(C)O;DHSZMCWHACGPAO-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255611;MM255611;CC1CC1(O)CC(=O)O;DRMSQGZDVOVFIC-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255612;MM255612;C=C(C)C=CC(=O)C(C)F;SSVSKEHZVYVZJE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255613;MM255613;C=C(C)C=CC(=N)N(C)C;YIEQKSZEIRVNBL-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255614;MM255614;CN(N)C(=N)C=CC(=N)N;XZXHHCOGVSMVGT-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255615;MM255615;CN(N)C(=N)C=CC(N)=O;WSSRETSRHDSLQS-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255616;MM255616;C=C(F)C=CC(=N)N(C)O;LBRAVXCNNFWVGK-UHFFFAOYSA-N;144.15;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255617;MM255617;CN(O)C(=O)C=CC(N)=O;LWJSELOQAVUQIN-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255618;MM255618;C=C(C=CC(C)C)C(C)=O;OJMWHSZKNJVROS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255619;MM255619;CC(=NN)C1NC1CO;JLGQZWHPIIRMRT-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255620;MM255620;C=C(C=CC(C)F)C(C)=O;HLJAKAWRUHWTQB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255621;MM255621;C=C(C=CC(C)C)C(=N)N;BQNANYPSUTZTRW-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255622;MM255622;C=CC=CC1NC1CO;ICNZEMKLWLRBGA-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255623;MM255623;C=C(C=CC(C)N)C(N)=O;IVTSQWZRXKSUPY-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255624;MM255624;N#CC=CC1NC1CO;HRFYEVMAJQXNDA-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255625;MM255625;C=C(C=CC(C)C)C(=O)O;CXFXAGUIUCHPJA-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255626;MM255626;C=C(C)C(=O)C=CC(C)C;OJLWNZLOZBFAPQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255627;MM255627;C=C(C)C(=O)C=CC(C)O;PVZIUILTCYNDPE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255628;MM255628;C=C(C)C(=O)C=CC(C)F;CLNWTYHLLGQIDF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255629;MM255629;CC(=O)C(=O)C=CC(C)C;MOXXUPBZYXNFLU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255630;MM255630;CC(=O)C(=O)C=CC(C)F;PVCKXCSURPVPJM-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255631;MM255631;O=COC(=NO)C(F)CO;DWDWLHIAJOMUGT-UHFFFAOYSA-N;151.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255632;MM255632;C=C(F)C(=O)C=NN(C)C;JYSXAQBNZRBYTR-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255633;MM255633;C=NN=CC1NC1CO;XNSJXQJCCYUOCL-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255634;MM255634;CC1C(=O)NOC1=NO;YDEGPMCWAXEDFC-UHFFFAOYSA-N;130.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255635;MM255635;CCC(C)(O)CCC=NN;KTTPQQRWBALVNP-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255636;MM255636;C=NOC(C)(C=O)C(N)=O;DSYBXCMUQDSTAV-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255637;MM255637;CC(O)C=CN(N)C(N)=O;UWTMFPXYHOZWMT-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255638;MM255638;C=C(C=NOC(C)C)CO;VTRLDDZZFFSCBV-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255639;MM255639;CN(O)C=NC(=O)C(N)=O;UPZPEBVLVSJDHY-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255640;MM255640;N=c1nnn(O)c(O)n1;FTAHEKGKWPAQDF-UHFFFAOYSA-N;129.08;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255641;MM255641;C=C(C)C=CC(=C)C(=C)C;AYXQYYDFXUCVFI-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255642;MM255642;C=C(C)C(=C)C=CC(C)=O;RDEWSZDCHSHJOC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255643;MM255643;C=C(C)C(=C)C=CC(=O)O;MTYVTPVYXZDMPP-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255644;MM255644;C=C(C)C=CC(=C)C(C)=O;GYPLDKNNJDTAKY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255645;MM255645;C=C(C=CC(C)=O)C(C)=O;GVULGXUBDVKZPF-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255646;MM255646;C=Cc1oc(=NN)oc1O;DAAKURZGNASWFH-UHFFFAOYSA-N;142.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255647;MM255647;C=C(C)C=CC(=C)C(=N)N;ZHLVVNKVMODFLI-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255648;MM255648;CC1(CO)CC(=O)N(N)C1;KIILTGVQONPDQX-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255649;MM255649;C=C(C)C=CC(=C)C(=O)O;SSUHHXJCSRFDHL-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255650;MM255650;C=C(C)C=CC(=O)C(=C)C;AWSSLDMTYRAJPV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255651;MM255651;C=C(C)C(=O)C=CC(C)=O;JDVNDSDFPMNGKQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255652;MM255652;CCONC(=O)C=NO;JUOKVSLOIKTUAW-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255653;MM255653;C=C(F)C=CC(=O)C(=C)C;OAFNDZUNISPVCM-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255654;MM255654;Cc1c(O)nn(O)c1F;ZNGZCBJRLDZJDX-UHFFFAOYSA-N;132.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255655;MM255655;CC(N)C#CC(C)C(C)C;RZCUQPXDBUDMLR-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255656;MM255656;CC(C)C#CC(C)C(C)N;NYKVEBUHAUMSAK-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255657;MM255657;CC(F)C#CC(C)C(C)N;LCLNIORZGXWSDF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255658;MM255658;CC(N)C(C)C#CC(F)F;GQBPNFKBGCFBQY-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255659;MM255659;CON=CCC(O)CCF;XAOSARRBXZVYCJ-UHFFFAOYSA-N;149.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255660;MM255660;CC=NN(C)C(=O)NCC;TWBBJFUGVHUSDX-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255661;MM255661;CC(C)C#CC(C)C(C)F;OUVRBGOXUWFADR-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255662;MM255662;CC(N)C#CC(C)C(C)F;WYDNLIHIGUIYFM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255663;MM255663;CC(O)C#CC(C)C(C)F;TYFAANWYIOAKAQ-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255664;MM255664;CC(F)C(C)C#CC(F)F;WXDOGDJVXSIBTK-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255665;MM255665;CC(C#CC(F)F)C(F)F;VRUTUUHCPLVBOV-UHFFFAOYSA-N;154.11;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255666;MM255666;CC(C)C#CC(N)C(C)C;OYKVPGRZGBNKKF-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255667;MM255667;CC(N)C#CC(N)C(C)C;HMSDHHDUSRPECD-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255668;MM255668;CC(F)C#CC(N)C(C)C;CLPVMJLAQBMBAL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255669;MM255669;CC(C)C(N)C#CC(F)F;WBIDUYOXIUYGSW-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255670;MM255670;CC(F)C#CC(N)C(C)N;RARBXNRFOGIFLL-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255671;MM255671;CC(C)C#CC(O)C(C)C;RZQCKHGOJBNXKO-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255672;MM255672;CC(F)C#CC(O)C(C)C;ZRWBGTGVHLNOQO-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255673;MM255673;CC(C)C(O)C#CC(F)F;FPYNYMSKKRHRKM-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255674;MM255674;CC(C)C#CC(O)C(C)O;GGDKHLKBCJJTGI-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255675;MM255675;CC(C)C#CC(O)C(C)F;YPTNWAHOZQUQAV-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255676;MM255676;CC(F)C(O)C#CC(F)F;LGZMOOPWGGMTQZ-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255677;MM255677;CC(N)C#CC(F)C(C)C;XVXUKKDFJGBVCW-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255678;MM255678;CC(F)C#CC(F)C(C)C;AMIMUHGHIIBYQP-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255679;MM255679;CC(C)C#CC(F)C(C)N;ZNQKAHQYLPURNX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255680;MM255680;CC(F)C#CC(F)C(C)N;ICSXCGYAWZLTSF-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255681;MM255681;CC(C)C#CC(F)C(C)O;YQDLXHFWLSXMNF-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255682;MM255682;CC(O)C#CC(F)C(C)O;OLKPZQMKSGFTPQ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255683;MM255683;CC(C)C#CC(C)N(C)C;AWSHBPPMBYHSCX-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255684;MM255684;C=C(C)C#CC(C)C(C)C;HZTNPXVALNGYJP-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255685;MM255685;CC(=O)C#CC(C)C(C)C;LDACGIRQSIYGBX-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255686;MM255686;CC(C)C(C)C#CC(=N)N;ADAXRZBPSDIPDM-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255687;MM255687;CC(C)C(C)C#CC(N)=O;VAVYCMRFQHIGJK-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255688;MM255688;C=C(C)C#CC(C)C(C)N;UZNVFABUTBVTCO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255689;MM255689;C=C(C)C#CC(C)C(C)F;OKPOJFTVCHLQGW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255690;MM255690;CC(=O)C#CC(C)C(C)F;XBIZAVPNAFWILX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255691;MM255691;CC(F)C(C)C#CC(=O)O;HIQWPPRRLNBCLE-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255692;MM255692;C=C(F)C#CC(C)C(C)F;CIUCOHFKVXFUFF-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255693;MM255693;CC(=O)C#CC(C)C(F)F;DHJMBLMNLCJVFK-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255694;MM255694;C=C(C)C#CC(N)C(C)C;MRBZFUSJGQEISC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255695;MM255695;C=C(F)C#CC(N)C(C)C;DFYDOVZQAQMHRD-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255696;MM255696;C=C(C)C#CC(N)C(C)N;BMZZTDUZACOSTM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255697;MM255697;CC(N)C(N)C#CC(=N)N;DSUOUJMDSSANHK-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255698;MM255698;C=C(C)C#CC(O)C(C)C;BFMYHVFFFLJULH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255699;MM255699;CC(=O)C#CC(O)C(C)C;LXBTWZKAQSPPNM-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255700;MM255700;C=C(F)C#CC(O)C(C)C;CIYKXOIOVWUUNV-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255701;MM255701;CC(O)C(O)C#CC(=N)N;YBSUFDNEPNHGJW-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255702;MM255702;C=CC1C=CC(=O)N1C;AINQCZQIFJJWBH-UHFFFAOYSA-N;123.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255703;MM255703;C=C(C)C#CC(O)C(C)F;DKCJLHIWFHWELU-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255704;MM255704;CC(F)C(O)C#CC(=N)N;UVOQTTBZIAXZQK-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255705;MM255705;NN=c1nnnc(O)n1O;NHFRDUBMRSFLID-UHFFFAOYSA-N;144.09;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255706;MM255706;C=C(C)C#CC(F)C(C)C;YSTLPNSALVNSJU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255707;MM255707;CC(=O)C#CC(F)C(C)C;FCEGCVRAGYMICV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255708;MM255708;CC(C)C(F)C#CC(N)=O;HGRDQJRTQQWHOZ-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255709;MM255709;CC(N)C(F)C#CC(=N)N;FJVXBCOTQMODBU-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255710;MM255710;CC(O)C(F)C#CC(=N)N;OJYXUAZJPPGAEJ-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255711;MM255711;CC(=O)C#CC(F)C(C)F;UOSOLOPVVWNFHB-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255712;MM255712;CC(F)C(F)C#CC(=N)N;YFNIEWNSXOOHIO-UHFFFAOYSA-N;146.14;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255713;MM255713;C=C(C)C#CC(C)N(C)C;SUZBCTYNSVRTBD-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255714;MM255714;C=C(C)C(C)C#CC(C)O;OLLONIQSLGAVDT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255715;MM255715;C=C(C)C(C)C#CC(F)F;OZSHMKQCJMWWQQ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255716;MM255716;CC(=O)C(C)C#CC(C)C;AWDQTZZMHUKYTH-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255717;MM255717;CC(=O)C(C)C#CC(C)F;SQDSCWKAIZGLQC-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255718;MM255718;CC(C)C#CC(C)C(=N)N;YGVLRZRNNZBCAT-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255719;MM255719;CC(F)C#CC(C)C(=N)N;HLMJVBXLRWOVMM-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255720;MM255720;CC(C)C#CC(C)C(N)=O;BJNQODLQRITZBI-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255721;MM255721;CC(F)C#CC(C)C(N)=O;VVZBOUKOSMTILE-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255722;MM255722;CC(C)C#CC(C)C(=O)O;FUTDMOVCCKHTPY-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255723;MM255723;CC(C#CC(F)F)C(=O)O;JZVBBDIBFCAGPK-UHFFFAOYSA-N;148.11;0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255724;MM255724;C=C(C)C(N)C#CC(C)C;UKLXXUXXIQUUDB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255725;MM255725;C=C(C)C(N)C#CC(C)N;ABDPFPUZBKCQSI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255726;MM255726;C=C(C)C(N)C#CC(C)F;YQJJNCFBSNJSSY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255727;MM255727;C=C(C)C(N)C#CC(F)F;KNDNAUPIGKMOOW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255728;MM255728;CC(N)C#CC(N)C(=N)N;SADBNBLCWOHQTL-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255729;MM255729;CC(F)C#CC(N)C(=N)N;OFNDFOARCOTYFF-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255730;MM255730;N=C(N)C(N)C#CC(F)F;VERZVBKXSYHJHQ-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255731;MM255731;C=C(C)C(O)C#CC(C)C;WFMMNEUNPIXMJB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255732;MM255732;C=C(C)C(O)C#CC(C)O;MPVJFBDJEGKPLC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255733;MM255733;C=C(C)C(O)C#CC(C)F;CBEPPHVBJLDSMP-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255734;MM255734;C=C(C)C(O)C#CC(F)F;VZZFCBUKFXUAEX-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255735;MM255735;CC(=O)C(O)C#CC(F)F;PNJIHHCDTKVYAW-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255736;MM255736;CC(N)C#CC(O)C(=N)N;XBVSNAHDDMSXDD-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255737;MM255737;CC(O)C#CC(O)C(=N)N;KPPXFNRVQBULLX-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255738;MM255738;CC(F)C#CC(O)C(=N)N;JSBYSEUWNWTDSY-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255739;MM255739;N=C(N)C(O)C#CC(F)F;HVRRJSFSOLOJSG-UHFFFAOYSA-N;148.11;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255740;MM255740;CC(O)C#CC(O)C(N)=O;UJEKWSYKJRKRPE-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255741;MM255741;NC(=O)C(O)C#CC(F)F;WSWGKLLTUZALMH-UHFFFAOYSA-N;149.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255742;MM255742;CNc1cc(O)[nH]n1;AQRLRFVBIGTGCK-UHFFFAOYSA-N;113.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255743;MM255743;C=C(F)C(O)C#CC(C)C;XKBOCHVQUMOVMJ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255744;MM255744;C=C(C)C(F)C#CC(C)C;WZHXAYCEEZALOU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255745;MM255745;CC(=O)C(F)C#CC(C)C;OOXGHBNGDSEBAO-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255746;MM255746;CC(C)C#CC(F)C(N)=O;RCYYWTCLUCVTLO-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255747;MM255747;CC(N)C#CC(F)C(N)=O;UVTAOEQEESDSRG-UHFFFAOYSA-N;144.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255748;MM255748;CC(O)C#CC(F)C(N)=O;HPEJLOXMSWNANY-UHFFFAOYSA-N;145.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255749;MM255749;CC=NOCC(C)C(=O)O;FFMZYJNJDCCNGN-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255750;MM255750;C=C(C)C(C)C#CC(C)=O;AGINIVJJBPZJNS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255751;MM255751;C=C(C)C(C)C#CC(=O)O;PAHLRBWCTLJPTM-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255752;MM255752;C=C(C)C#CC(C)C(C)=O;IPPJVKBONJLLSA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255753;MM255753;CC(=O)C#CC(C)C(C)=O;NLESGEVWIUJRNN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255754;MM255754;CC(=O)C(C)C#CC(N)=O;TUFOHOYXLKJKKR-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255755;MM255755;C=C(F)C#CC(C)C(C)=O;HXCPYQKXFYFCTD-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255756;MM255756;C=C(C)C#CC(C)C(=N)N;NMHZFXOTXLTJKI-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255757;MM255757;CC(C#CC(=N)N)C(=N)N;PDPOXVJUPDCKMS-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255758;MM255758;C=C(F)C#CC(C)C(=N)N;BYUQJYRYBQFJEB-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255759;MM255759;C=C(C)C#CC(C)C(N)=O;DJNCAWYQDAHUMK-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255760;MM255760;CC(=O)C#CC(C)C(N)=O;GQLWMQAKDWKJEP-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255761;MM255761;C=C(F)C#CC(C)C(N)=O;GYDBAUZBSLVJPO-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255762;MM255762;C=C(C)C#CC(C)C(=O)O;HMPUAYXUMXESLR-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255763;MM255763;C=C(C)C#CC(N)C(=C)C;RMQMMAGXUGGWKY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255764;MM255764;C=C(C)C(N)C#CC(=N)N;LEFXFJUSWCKUCV-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255765;MM255765;C=C(C)C#CC(N)C(=N)N;HHGOEJWUJYWRID-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255766;MM255766;N=C(N)C#CC(N)C(=N)N;OZFCXJWWHIOKEK-UHFFFAOYSA-N;139.16;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255767;MM255767;N=C(N)C(N)C#CC(N)=O;PKOLVCOARWMINW-UHFFFAOYSA-N;140.15;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255768;MM255768;C=C(C)C#CC(O)C(=C)C;CKHHGBWCCOEMRG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255769;MM255769;C=C(F)C#CC(O)C(=C)C;ZAPAFOSQUYOJRX-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255770;MM255770;CC(=O)C#CC(O)C(C)=O;XNQCJGLZDKQINX-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255771;MM255771;CC(=O)C(O)C#CC(=N)N;GFCLRBFTBWWGIN-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255772;MM255772;CC(=O)C#CC(O)C(=N)N;SLHJPVGJXCBJAG-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255773;MM255773;N=C(N)C#CC(O)C(=N)N;UNYQICLHBUEAGI-UHFFFAOYSA-N;140.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255774;MM255774;N=C(N)C(O)C#CC(N)=O;LBLMTLROVHWLEK-UHFFFAOYSA-N;141.13;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255775;MM255775;N=C(N)C#CC(O)C(N)=O;RQNLVRHBUFUSPM-UHFFFAOYSA-N;141.13;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255776;MM255776;NC(=O)C#CC(O)C(N)=O;RIVWOKADTBNONJ-UHFFFAOYSA-N;142.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255777;MM255777;C=NNC=C(C)C(=O)O;ZHAXEZDOTZKEHC-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255778;MM255778;C=C(F)C#CC(O)C(N)=O;ITVJTVASNKDOHK-UHFFFAOYSA-N;143.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255779;MM255779;Nn1cc2oc(=O)cc-2[nH]1;PUKUJVJBKOHCMZ-UHFFFAOYSA-N;139.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255780;MM255780;CC(=CC(C)C=O)C(=O)O;MZEHNSVNMCEQQS-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255781;MM255781;C=C(C)C#CC(O)C(=C)F;AGAKJYCKVOBJSU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255782;MM255782;C=C(F)C(O)C#CC(=N)N;AGEKKJAXCLNHDI-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255783;MM255783;C=C(F)C(O)C#CC(N)=O;USXARNIVGNWPPY-UHFFFAOYSA-N;143.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255784;MM255784;C=C(C)C(F)C#CC(C)=O;ZKZZZMKWEPKBKX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255785;MM255785;C=C(C)C#CC(F)C(C)=O;TWTBOEZQPRAGGR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255786;MM255786;C=C(F)C#CC(F)C(C)=O;FWFHIBBZAORCST-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255787;MM255787;N=C(N)C#CC(F)C(=N)N;YZLTXJZAUXSABI-UHFFFAOYSA-N;142.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255788;MM255788;N=C(N)C#CC(F)C(N)=O;KOZGJSNUHLUPGG-UHFFFAOYSA-N;143.12;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255789;MM255789;C=C(F)C#CC(F)C(N)=O;KHPBNGHIQXRULS-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255790;MM255790;C=C(C)C#CC(F)C(=O)O;KQJOQPNXGMYIFZ-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255791;MM255791;C=C(F)C(F)C#CC(C)=O;SSVUEHZUMRZYTH-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255792;MM255792;C=C(F)C(F)C#CC(=N)N;DPEPEDOTEVULJB-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255793;MM255793;C=C(F)C(F)C#CC(N)=O;UYZSOGMKPRRLLR-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255794;MM255794;CC(C)C#CC(=O)C(C)C;XCEFHRAUDZEWLQ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255795;MM255795;CC(O)C#CC(=O)C(C)C;USHXPVQRBDQSNW-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255796;MM255796;CC(F)C#CC(=O)C(C)C;NXTYGSHHKUZRNJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255797;MM255797;CC(C)C#CC(=O)C(C)O;JAEUEMIWDZXFQR-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255798;MM255798;CC(C)C#CC(=O)C(C)F;SQUOBDKYAWOLCZ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255799;MM255799;CC(C)C#CC(=N)N(C)C;LJBBECYUTLCTKY-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255800;MM255800;CC(F)C#CC(=N)N(C)C;YQMSGXZZBDZLOY-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255801;MM255801;CN(C)C(=N)C#CC(F)F;GWDSMRAHTZMNQT-UHFFFAOYSA-N;146.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255802;MM255802;CC(C)C#CC(=N)N(C)N;GNMYCUGWJSJCLO-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255803;MM255803;CC(N)C#CC(=O)N(C)C;JTPQBTKRZYFJNQ-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255804;MM255804;CC(O)C#CC(=O)N(C)C;VSBJOLPWOOIVPB-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255805;MM255805;CC(C)C#CC(=O)N(C)N;HIUSDTNELUQHLR-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255806;MM255806;C=CC(CO)=C(C)C(N)=O;YIAZXOIEUSMMNU-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255807;MM255807;CC(C)C#CC(=O)N(C)O;KFDWYKFMWXJHTO-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255808;MM255808;CN(O)C(=O)C#CC(F)F;CGQNRNXVIJLLTP-UHFFFAOYSA-N;149.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255809;MM255809;C=C(C#CC(C)=O)C(C)C;ARDPKKCALGQPSL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255810;MM255810;C=C(C#CC(N)=O)C(C)N;LHWFTVNXKINZNS-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255811;MM255811;C=C(C#CC(C)=O)C(C)O;FFDLFGDANCGLNF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255812;MM255812;C=C(C#CC(=N)N)C(C)O;QWJNQWMECOMTIM-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255813;MM255813;C=C(C#CC(N)=O)C(C)O;HWEMURSJVOLNLX-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255814;MM255814;C=C(C)C(CC=O)C(=O)O;JLZQTWKOMNTLLR-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255815;MM255815;C=C(C#CC(C)=O)C(C)F;KTIXAUZYTYMHPP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255816;MM255816;C=C(C#CC(N)=O)C(F)F;NUNCAJHBTMHPDM-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255817;MM255817;C=C(C)C#CC(=O)C(C)C;TZVLVGLXMHMVOG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255818;MM255818;CC(=O)C#CC(=O)C(C)C;IJKDNVUIUJDGDN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255819;MM255819;C=C(F)C#CC(=O)C(C)C;ROWWAYPGCPRPPE-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255820;MM255820;C=C(C)C#CC(=O)C(C)O;HEYSNIRXSCSHIN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255821;MM255821;CC(O)C(=O)C#CC(=N)N;JZTXGXINIMOQSF-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255822;MM255822;CC(O)C(=O)C#CC(N)=O;BGXBWVOZQKPEKW-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255823;MM255823;C=C(C)C#CC(=O)C(C)F;BBPPUIHYZQDJBB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255824;MM255824;CC(F)C(=O)C#CC(=N)N;GPYLEUKVDVVHKV-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255825;MM255825;CC(F)C(=O)C#CC(N)=O;QOOSGUHOOHQJPD-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255826;MM255826;CC(=O)C#CC(=N)N(C)C;PNHYJFJMOUABSO-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255827;MM255827;CN(C)C(=N)C#CC(N)=O;URHIVABMIQXMQK-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255828;MM255828;CN(N)C(=N)C#CC(=N)N;RPJSGMKMHGBTOM-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255829;MM255829;NN=CN=CN(N)C(N)=O;VPXCESUGETYJKH-UHFFFAOYSA-N;144.14;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255830;MM255830;CN(O)C(=N)C#CC(=N)N;CDQZKXQFUVUSSY-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255831;MM255831;N=C(C(N)=O)N(N)CCO;LPAMLMGTBMSLFW-UHFFFAOYSA-N;146.15;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255832;MM255832;CC(CO)NN=C(N)C=O;LZROCXCUUOYPIB-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255833;MM255833;CN(C)C(=O)C#CC(=N)N;LPERIDISCLVKCM-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255834;MM255834;CN(C)C(=O)C#CC(N)=O;VHGLSGHBFXAYFL-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255835;MM255835;C=C(C)C#CC(=O)N(C)N;DAFCGAHWQWWHJO-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255836;MM255836;CN(N)C(=O)C#CC(=N)N;BFOGEULINXVWJF-UHFFFAOYSA-N;140.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255837;MM255837;C=C(C(=O)O)C(C)CC=O;VYDXWNRIIAFIAU-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255838;MM255838;CN(O)C(=O)C#CC(N)=O;CGWVCFZARJFCSB-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255839;MM255839;C=C(F)C#CC(=O)N(C)O;GLEVCOKPFOJJJU-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255840;MM255840;C=C(C#CC(C)C)C(C)=O;MQPAZQGDOGMTGP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255841;MM255841;C=C(C#CC(C)F)C(C)=O;NMHYGKCEFDOHMS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255842;MM255842;C=C(C#CC(C)O)C(N)=O;CPIFWGFNMNAPJZ-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255843;MM255843;C=C(C#CC(F)F)C(N)=O;GWBMXJCYLYIBDV-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255844;MM255844;C=C(C)C(=O)C#CC(C)C;GPIFCBVPAPPYFC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255845;MM255845;C=C(C)C(=O)C#CC(C)F;NBCKWNDKUHJBES-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255846;MM255846;CC(=O)C(=O)C#CC(C)C;BENMIXJSVXHMSV-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255847;MM255847;CC(C)C#CC(=O)C(N)=O;RWBNDFMYVAJYHC-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255848;MM255848;CC(O)C#CC(=O)C(N)=O;MTUFTYQSJZDBAO-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255849;MM255849;CC(F)C#CC(=O)C(N)=O;FLTPZIKJPNEZNV-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255850;MM255850;CC=C(CCC=O)C(=O)O;LOWMRMSOJIPMSF-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255851;MM255851;C=C(F)C(=O)C#CC(C)C;ZPPVICTZDAAOFP-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255852;MM255852;C=C(C)C(=C)C#CC(C)=O;SNTASBJEACWJCI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255853;MM255853;C=C(C)C#CC(=C)C(C)=O;MRMGSOUZRFUSSD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255854;MM255854;C=C(C#CC(C)=O)C(C)=O;GLCPGHFBWKXTFD-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255855;MM255855;C=C(F)C#CC(=C)C(C)=O;PSRMKEFGMZTWHG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255856;MM255856;C=C(C#CC(C)=O)C(=N)N;JHNWQTUNOKBICV-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255857;MM255857;C=C(C#CC(=N)N)C(=N)N;PMOCKZZOCUVEEL-UHFFFAOYSA-N;136.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255858;MM255858;C=C(C#CC(N)=O)C(=N)N;OWQYMNSBBCVBQI-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255859;MM255859;C=C(C#CC(C)=O)C(N)=O;HQQFXOHSYDKVBL-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255860;MM255860;C=C(C#CC(=N)N)C(N)=O;JMPGOAMNYLDIDP-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255861;MM255861;C=C(C#CC(N)=O)C(N)=O;SMSRIIVHODCXLW-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255862;MM255862;C=C(F)C(=C)C#CC(N)=O;MHMAJZGFGBIYOM-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255863;MM255863;C=C(C)C#CC(=O)C(=C)C;OGOVBJLXVKCIIY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255864;MM255864;C=C(C)C(=O)C#CC(C)=O;GJTNEZXHRGATDZ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255865;MM255865;C=C(F)C#CC(=O)C(=C)C;JNJDHAFJHUBLAY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255866;MM255866;C=C(C)C#CC(=O)C(C)=O;WMXLAWSQABFXNM-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255867;MM255867;N=C(N)C#CC(=O)C(=N)N;AHFFZQJDZWWPCB-UHFFFAOYSA-N;138.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255868;MM255868;CC(C#N)NCC(=O)C#N;OMPLDJHHROBOJK-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255869;MM255869;O=c1cc(CF)[nH]n1O;BUDPNEDPHOUCNF-UHFFFAOYSA-N;132.09;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255870;MM255870;N=C(N)C#CC(=O)C(N)=O;PMFHXHFESXOYBK-UHFFFAOYSA-N;139.11;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255871;MM255871;C=C(CC(=O)O)OC;HLJQZTOGZQWJHH-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255872;MM255872;C=C(C)C#CC(=O)C(=O)O;FPHSJLXLDXBOHU-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255873;MM255873;CC1OC1(C)CC(=O)O;QSPPOFBRSLVRDB-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255874;MM255874;C=C(F)C(=O)C#CC(=N)N;MIWADZCOALKQIN-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255875;MM255875;CC(C)C(C)CC=C(F)F;UVJZKYSAVBFNML-UHFFFAOYSA-N;148.2;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255876;MM255876;CC(C)=CCC(C)C(C)N;YDFLNSAZVYGGHT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255877;MM255877;CC(F)=CCC(C)C(C)N;NUCVWIVNTRKSLM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255878;MM255878;CC(C)=CCC(C)C(F)F;JOZRFMFMYKEOQW-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255879;MM255879;CC(C)=CCC(N)C(C)C;DWLLRCWZYLXKPP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255880;MM255880;CC(F)=CCC(N)C(C)C;OPSJFKQSFCGCBG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255881;MM255881;CC(C)C(N)CC=C(F)F;MEWOEINXRAHLOS-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255882;MM255882;CC(N)C(N)CC=C(F)F;MUJSANVECUGGMY-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255883;MM255883;CC(C)=CCC(N)C(C)O;BUPSVDLEIRVLKI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255884;MM255884;CC(C)=CCC(N)C(C)F;FUESJXNKTUJCSB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255885;MM255885;CC(F)=CCC(N)C(C)F;SGWMNQWHKHCKMO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255886;MM255886;C=NN(C)C1CC1(C)CO;NINCUTMBLDZOGS-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255887;MM255887;CC(F)=CCC(O)C(C)C;YAZYJAJOKHUHOY-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255888;MM255888;CC(C)C(O)CC=C(F)F;UFHMXSYSFPKNOV-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255889;MM255889;CC(F)=CCC(O)C(C)N;MEAMWIVIFJONPP-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255890;MM255890;CC(F)=CCC(O)C(C)O;MMSPDVXZZYVUNB-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255891;MM255891;CC(C)=CCC(F)C(C)N;MSXGZGNNIKHUHO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255892;MM255892;CC(F)=CCC(F)C(C)N;ONGGFJDUCMMGBS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255893;MM255893;CC(C)=CCC(F)C(C)O;HMEPTZRFVOCGGU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255894;MM255894;CC(C)=CCC(F)C(C)F;UOZCRDRJOWLJPC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255895;MM255895;CC(F)=CCC(F)C(C)F;HDXGCARHJZNWDQ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255896;MM255896;CC(C)=CCC(F)C(F)F;DZBBOTILJKOFIF-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255897;MM255897;CC(C)=NNC(C)C(C)C;UCXUPDLBOYHSAR-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255898;MM255898;CC(C)=NNC(C)C(C)F;ZDHWWLZPLFYGBK-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255899;MM255899;CC(C)=COC(C)C(C)N;IJQZUVPKNBROMB-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255900;MM255900;CC(F)=COC(C)C(C)N;LUNRIGOHYJJWPM-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255901;MM255901;CC(F)=COC(C)C(C)O;ZQQPFGQFZPYALH-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255902;MM255902;CC1(CO)C=CC(=NN)C1;IAIGRRNRAVHIQC-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255903;MM255903;CC(C)=CCC(C)N(C)C;OEERVUZKKUGRHT-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255904;MM255904;C=C(C)C(C)CC=C(C)C;CHGRWGYJOYKPSL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255905;MM255905;CC(C)=CCC(C)C(=N)N;GJIJVJJOSMRVKF-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255906;MM255906;CC(F)=CCC(C)C(=N)N;SLWXYOAZFNMBLW-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255907;MM255907;CC(CC=C(F)F)C(=N)N;LVNODPALOUKDDL-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255908;MM255908;CCC(CO)NN=C(C)C;PILFKPRKOYZMLK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255909;MM255909;C=CC(C)(F)C1NC1CO;FDYPVXOGSNNNKD-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255910;MM255910;CC(CC=C(F)F)C(N)=O;ZMFXLWCVTZXGFD-UHFFFAOYSA-N;149.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255911;MM255911;CC(C)=CCC(C)C(=O)O;RHOVEHOUFDXMJJ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255912;MM255912;CC(F)=CCC(C)C(=O)O;NPNBHLGLEKOYIX-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255913;MM255913;C=C(C)C(N)CC=C(C)C;ARDGIRVMXWOZHG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255914;MM255914;C=C(C)C(N)CC=C(C)F;RZIKXSQVZFWOBI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255915;MM255915;C=C(F)C(N)CC=C(F)F;VVNDPCUSYIQSHY-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255916;MM255916;N#CC12CC(CO)(CN1)C2;UFGZTEMHEMMEDD-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255917;MM255917;CC(=O)C(O)CC=C(C)C;QQAYIROWAQQQFZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255918;MM255918;CC(=O)C(O)CC=C(C)F;FGRAQAJLEUVUGC-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255919;MM255919;C=C(C)C(F)CC=C(C)C;WXDIDPHJIZFMAS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255920;MM255920;CC(=O)C(F)CC=C(C)C;LAOFZEWAQGVEHS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255921;MM255921;CC(=O)C(F)CC=C(C)F;OSDJPXWDSPJBJV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255922;MM255922;CC(C)=CCC(F)C(N)=O;LSMHJEVMFKWEEI-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255923;MM255923;CC(F)=CCC(F)C(N)=O;AKIMGEUMUNPXOL-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255924;MM255924;CC(C)=CCC(F)C(=O)O;HULNKEJOWDVYGU-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255925;MM255925;CC(F)=CCC(F)C(=O)O;SYQBIOXXKNWTOY-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255926;MM255926;O=C(O)C(F)CC=C(F)F;XAPRUXAUCMRREQ-UHFFFAOYSA-N;154.09;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255927;MM255927;C=C(C)C(C)NN=C(C)C;XCUHAMXOHIXSOF-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255928;MM255928;CC(F)=COC(C)C(=N)N;UIXVNRCUUWXPAZ-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255929;MM255929;CC(OC=C(F)F)C(=N)N;OCRVZOAKIYXRQF-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255930;MM255930;CC(C)=COC(C)C(N)=O;NBMOTQMWSLRBMD-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255931;MM255931;CC(C)=NOC(C)C(=N)N;OUFJJYONDCAJKD-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255932;MM255932;CC(=N)N(C)CC=C(C)C;CNRDCGAHBZBZDY-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255933;MM255933;CC(=O)N(C)CC=C(C)C;HDKFETNTFPUWEK-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255934;MM255934;CC(=O)N(C)CC=C(C)F;OJOHQVJXFKCTHM-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255935;MM255935;CC(=O)N(C)CC=C(F)F;OPXVUYHDGJCWKA-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255936;MM255936;CN(CC=C(F)F)C(=N)N;BWTLMGYEMCHRHC-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255937;MM255937;CC(=O)N(N)CC=C(C)F;WFCCTHKAZFZDEN-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255938;MM255938;CC(F)=CCN(N)C(=N)N;NRVVKWVLXVWQIJ-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255939;MM255939;CNC(=O)C(C)=C(C)CO;FJYMWZKRKQRGPZ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255940;MM255940;NC(=O)N(O)CC=C(F)F;VMKRTSRKPTWRRX-UHFFFAOYSA-N;152.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255941;MM255941;C=C(CC=C(F)F)C(C)C;YNKSZDWOKSOUCN-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255942;MM255942;CC(C)=CCC(=O)C(C)C;WEMKQGKAHVHEDK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255943;MM255943;CC(F)=CCC(=O)C(C)C;LHAZPPNQQOOKBC-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255944;MM255944;CC(C)C(=O)CC=C(F)F;IPIXSJXGJIHKJW-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255945;MM255945;CC(C)=CCC(=O)C(C)O;XBDVSTGRYLKCRN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255946;MM255946;CC(F)=CCC(=O)C(C)O;YCSFPWTWQVYDSP-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255947;MM255947;CC(C)=CCC(=O)C(C)F;RKZQMSJCGMMSRE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255948;MM255948;CC(F)=CCC(=O)C(C)F;KSNGIUCGBPHBNP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255949;MM255949;CC(F)C(=O)CC=C(F)F;LOFJLSYIHAODGC-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255950;MM255950;CC(C)=CNC(=N)C(C)C;JKJKMCNGLDUUFQ-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255951;MM255951;CC(F)=CNC(=N)C(C)C;NXSHSNSUXYVKCQ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255952;MM255952;CC(F)=CNC(=N)C(C)N;OLXFUXFCHHJSBQ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255953;MM255953;CC(N)C(=N)NC=C(F)F;UUNUBZQCNYWXHL-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255954;MM255954;CC(C)=CNC(=O)C(C)C;WMNMCUDOCPDLRJ-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255955;MM255955;CC(C)C(=O)NC=C(F)F;OPLLUHCRNLULEO-UHFFFAOYSA-N;149.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255956;MM255956;CC(C)=CNC(=O)C(C)F;NGLOMNVFVJJDMG-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255957;MM255957;CC(F)=CNC(=O)C(C)F;NBMBSGMBHHVJGL-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255958;MM255958;C=C(OC=C(C)F)C(C)N;FLZBIRNOJGEGKX-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255959;MM255959;C=C(OC=C(C)C)C(C)O;YAOKPWJOFXYUAP-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255960;MM255960;CC(C)=NOC(=O)C(C)C;DQAQFLQBOQDUCL-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255961;MM255961;CC(C)=NOC(=O)C(C)O;BINDDEHCGAEUDW-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255962;MM255962;CC(C)=CCC(=O)N(C)C;GWJKLEBFZYLCKJ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255963;MM255963;CC(F)=CCC(=O)N(C)O;BFFIYBPYJILGKU-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255964;MM255964;CC(C)=CNC(=N)N(C)C;JDEZAZXUJOLKRO-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255965;MM255965;CN(C)C(=N)NC=C(F)F;MYOZYYYKQCOXAB-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255966;MM255966;CN(N)C(=N)NC=C(F)F;AHVFMQYYGQOGDQ-UHFFFAOYSA-N;150.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255967;MM255967;CC(F)=CNC(=O)N(C)C;HJYNFKUURRAQIR-UHFFFAOYSA-N;146.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255968;MM255968;CNN=CN(N)C(C)CO;OPKISVMSQUUFQN-UHFFFAOYSA-N;146.19;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255969;MM255969;CN(O)C(=O)NC=C(F)F;OZWOWUWZXUVNBS-UHFFFAOYSA-N;152.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255970;MM255970;CC(C)=NNC(=O)N(C)C;YZRWCYUQZHRZMD-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255971;MM255971;CC(CO)N(N)C=NC=N;VDFQDTSHJAPEDX-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255972;MM255972;C=C(CC=C(C)F)C(C)=O;AHYIYVYYPJTQKM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255973;MM255973;C=C(CC=C(C)C)C(=N)N;JVPQHJSQFJRHEP-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255974;MM255974;C=C(CC=C(C)F)C(=N)N;XGUDZVIPYBQBNL-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255975;MM255975;C=NN=CN(N)C(C)CO;GOBCHAYZGQGNLB-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255976;MM255976;C=C(C)C(=O)CC=C(C)C;LKJZUSHUIDUYLL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255977;MM255977;C=C(C)C(=O)CC=C(C)F;AIACHHZJVUWIOL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255978;MM255978;C=C(C)C(=O)CC=C(F)F;MZKZQGBGBOUZAQ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255979;MM255979;CC(F)=CCC(=O)C(N)=O;SDQJPAFWMMKDSE-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255980;MM255980;CCC1(CC(=O)O)CO1;PJEIVIKNPJGMQN-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255981;MM255981;C=C(F)C(=O)CC=C(C)C;OYSSCRNEMAAYCL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255982;MM255982;C=C(F)C(=O)CC=C(C)F;WMUCIOQTKTVCHX-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255983;MM255983;C=C(C)C(=N)NC=C(F)F;ZGHICQNBEOHAQE-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255984;MM255984;CC(F)=CNC(=N)C(=N)N;RXPUNHXIDYGGHA-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255985;MM255985;CC(CO)N(C)N=CC=O;KXSWIIYUIUSORF-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255986;MM255986;CNC(=O)N(N)C=COC;SXJCAVWXRHMHQC-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255987;MM255987;CCC(CC)OCC(=O)O;PRWBVHWCYMYORG-UHFFFAOYSA-N;146.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255988;MM255988;C=C(C)C(=O)NC=C(F)F;NMDDJRZNALTRAB-UHFFFAOYSA-N;147.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255989;MM255989;CC(=O)C(=O)NC=C(F)F;HLNMHBLCNBNAMD-UHFFFAOYSA-N;149.1;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255990;MM255990;CC(F)=CNC(=O)C(N)=O;NJGAKPSAXFKQBX-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255991;MM255991;COCOC(C)CC(=O)O;DGRBILULKINLRX-UHFFFAOYSA-N;148.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255992;MM255992;O=C(O)C(=O)NC=C(F)F;QIBUFUAEMRSHEY-UHFFFAOYSA-N;151.07;-0.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255993;MM255993;C#CC(O)CC=CC=NN;PJVWZGCNMFLRRL-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255994;MM255994;C=C(OC=C(C)F)C(=N)N;JPKWTAAZMSVJCO-UHFFFAOYSA-N;144.15;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255995;MM255995;C=C(OC=C(C)C)C(N)=O;PKDNKJZLRCKYDM-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255996;MM255996;C=C(OC=C(C)F)C(N)=O;NGUVFGNZDDLPQX-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255997;MM255997;C=C(OC=C(F)F)C(N)=O;HZHZQMZAOHQZDP-UHFFFAOYSA-N;149.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255998;MM255998;CC(=O)C(=O)OC=C(C)F;YATOCJOMVUWNFP-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM255999;MM255999;CC(C)=COC(=O)C(N)=O;KVXPVCKVJOJONO-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256000;MM256000;NC(=O)C(=O)OC=C(F)F;JIOIAWZZYMHLLS-UHFFFAOYSA-N;151.07;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256001;MM256001;COCC(CC(=O)O)OC;UQIKXFJCMLRFDM-UHFFFAOYSA-N;148.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256002;MM256002;O=c1[nH]nn[nH]1;JXBKZAYVMSNKHA-UHFFFAOYSA-N;86.05;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256003;MM256003;CC(=CCC(C)N)C(C)C;LLZVXCGUDMUDFM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256004;MM256004;CC(=CCC(C)F)C(C)C;AMEZRFCECFVHDH-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256005;MM256005;CC(=CCC(F)F)C(C)C;JGYCIYFYPSWECT-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256006;MM256006;CC(=CCC(C)N)C(C)N;BPOKHGOYWSVRDE-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256007;MM256007;CC(=CCC(C)O)C(C)N;UQIPSYIOTCYLNS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256008;MM256008;CC(=CCC(C)F)C(C)N;MJGWUDDBAIWCOD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256009;MM256009;CC(=CCC(F)F)C(C)N;XADFAUQJWIJZHF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256010;MM256010;C=CCON=CC(=C)CO;WNAUNVAJTQJLSK-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256011;MM256011;CC(=CCC(C)N)C(C)O;IZITZCNWMWHQOB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256012;MM256012;C=C(C=NOCC#N)CO;LHGUKTYYRZATKL-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256013;MM256013;CC(=CCC(C)N)C(C)F;OMKZMMXITNTDQG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256014;MM256014;C#CCON=CC(=C)CO;CZZYIVIGVVNPGF-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256015;MM256015;CC(=CCC(F)F)C(C)F;XKHKZSZZPGEKMI-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256016;MM256016;CC(=CCC(C)N)C(F)F;JJYZXQXGKNJPBY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256017;MM256017;CC(=CCC(F)F)C(F)F;DCJRCWVRVXQVNE-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256018;MM256018;CC(N)CC=C(F)C(C)C;QUDNZZWDTXSDGT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256019;MM256019;CC(N)CC=C(F)C(C)F;PAGHCAPBONGANW-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256020;MM256020;CC(=NNC(C)C)C(C)C;QVJHOQIDTFPPMG-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256021;MM256021;CC(=NNC(C)C)C(C)F;HVXYRHRKCJIEFA-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256022;MM256022;CC(=NOC(C)C)C(C)N;QPISUHHDXBTNMO-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256023;MM256023;CNN=COC=C(C)CO;KMULMTCUTWHEEO-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256024;MM256024;CC(=CCN(C)C)C(C)F;VJMGKLDDRAXZIO-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256025;MM256025;CC(=NCC(C)O)N(C)C;JZVQEDULTHVIML-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256026;MM256026;CC(=NCC(C)F)N(C)C;KXPLENPXWCFCMM-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256027;MM256027;CC(=NCC(F)F)N(C)N;XEJAPGITLRIQDQ-UHFFFAOYSA-N;151.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256028;MM256028;CC(=NCC(C)N)N(C)O;CPJXYOLAXYHCJD-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256029;MM256029;CC(=NNC(C)C)N(C)C;DZBJHDQYKWPPHL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256030;MM256030;C=C(C)CC=C(C)C(C)C;KYGVVYNJZCVIEB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256031;MM256031;CC(=CCC(=N)N)C(C)C;ISNAMZISFJLOKM-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256032;MM256032;C=NNC(CO)CCCC;XIGACPQSKABTNK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256033;MM256033;CC(=CCC(=O)O)C(C)C;GZJSRDFSSVMALA-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256034;MM256034;C=C(C)CC=C(C)C(C)N;DWGAYHOADIXHQQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256035;MM256035;CC(=CCC(=N)N)C(C)N;AMXKDCPTXWNNLR-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256036;MM256036;C=C(F)CC=C(C)C(C)N;NPJIUPAXIZJGOK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256037;MM256037;C#CC#CC(OC)ON=C;UYOYAQSIDBLJQH-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256038;MM256038;O=c1cc(F)n(O)c(O)n1;URJLVDKBSHSCHZ-UHFFFAOYSA-N;146.08;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256039;MM256039;CC(=CCC(=O)O)C(C)F;BDINBXOMXAHBHU-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256040;MM256040;CC(=O)CC=C(C)C(F)F;KFQITIDPLGPPHD-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256041;MM256041;CC(=CCC(=N)N)C(F)F;VRNOBIFERBXCOV-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256042;MM256042;CC(=CCC(=O)O)C(F)F;DUEXHJNVOXSXPJ-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256043;MM256043;C=C(C)CC=C(F)C(C)C;RPXKSGNPUMNLJM-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256044;MM256044;CC(C)C(F)=CCC(=N)N;OLXIJOPYICXYJF-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256045;MM256045;CC(C)C(F)=CCC(N)=O;HFIVWCCYNCFBGF-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256046;MM256046;CC(C)C(F)=CCC(=O)O;YXQKVCQEYSTTEH-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256047;MM256047;C=C(F)CC=C(F)C(C)C;LHIKKBPMVPFBAA-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256048;MM256048;CC(O)C(F)=CCC(N)=O;XZAAQDCSMUUKJK-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256049;MM256049;CC(F)C(F)=CCC(=N)N;UOVYHERKUMOQRW-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256050;MM256050;CC(F)C(F)=CCC(N)=O;JXNYBOQUCJSIFH-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256051;MM256051;CC(F)C(F)=CCC(=O)O;IGWIFDIHDCSPDC-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256052;MM256052;CC(=N)NC=C(C)C(C)C;GBXSIJKMTQBXOM-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256053;MM256053;CC(=O)NC=C(C)C(C)C;DPTZWTGLBUTVOD-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256054;MM256054;CC(=CNC(N)=O)C(C)C;LDEBLPCGKOYSKB-UHFFFAOYSA-N;142.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256055;MM256055;CC(=N)NC=C(C)C(C)N;AODFWIHWZJSHNI-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256056;MM256056;CC(=CNC(=N)N)C(C)N;XREILRCEGKDJNF-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256057;MM256057;CC(=CNC(N)=O)C(C)N;AZXZQNNVPBJTGP-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256058;MM256058;CC(=CNC(=N)N)C(C)O;SGLNPVNQRGYHSS-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256059;MM256059;CC(=CNC(N)=O)C(C)O;NVHSPLMGXVDKTH-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256060;MM256060;CC(=N)NC=C(C)C(C)F;MJDJFPRDUIJSFP-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256061;MM256061;CC(=N)NC=C(C)C(F)F;DDWSSDIKHHFZOM-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256062;MM256062;CC(=O)NC=C(C)C(F)F;MFPALYMTKUVZGN-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256063;MM256063;CC(=N)NC=C(F)C(C)C;HKZMSYJHECUHCV-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256064;MM256064;CC(=O)NC=C(F)C(C)C;QIKFJQJRJCQEIS-UHFFFAOYSA-N;145.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256065;MM256065;CC(C)C(F)=CNC(N)=O;BSDODQFQXGUSNF-UHFFFAOYSA-N;146.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256066;MM256066;CC(F)C(F)=CNC(=N)N;MHLDGQPHGYQKFI-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256067;MM256067;C=C(C)OC=C(C)C(C)C;UZDMAECEXYOTLM-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256068;MM256068;CC(=O)OC=C(C)C(C)C;ULBBVTXBKSKJOU-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256069;MM256069;CC(=O)NN=C(C)C(C)C;DGRNIPTUSBUTDN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256070;MM256070;CC(=NNC(N)=O)C(C)C;ZZDDKDAGFXIWOL-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256071;MM256071;CC(=NNC(=N)N)C(C)N;AHZNRDWLJBAKLF-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256072;MM256072;CC(=NOC(N)=O)C(C)N;SYRDFDJHBUNKSD-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256073;MM256073;CC(=NOC(N)=O)C(C)O;HHLDFBLJXLHYCU-UHFFFAOYSA-N;146.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256074;MM256074;CC(=NCC(=N)N)N(C)C;UGAKPFYPZGREPT-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256075;MM256075;CC(=NCC(=N)N)N(C)N;NYUGZWCNIZINNK-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256076;MM256076;C=C(F)CN=C(C)N(C)N;SGRYNHBAHSKVKO-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256077;MM256077;CC(=NCC(=N)N)N(C)O;KZGUEOFDSJHZFJ-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256078;MM256078;NN=CC=C(CO)CCO;DYOUWOPIZFBBOZ-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256079;MM256079;CC(=NNC(=N)N)N(C)C;CVKACMIMVQDDAC-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256080;MM256080;NN=C(NCCO)C(N)=O;CWZGERINKJJPAA-UHFFFAOYSA-N;146.15;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256081;MM256081;C=C(C(C)C)C1NC1CO;NSASWMAAGRYJMJ-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256082;MM256082;CC(=O)ON=C(C)N(C)N;CPYOZPMHSDMEDG-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256083;MM256083;C=C(C)C(=C)C1NC1CO;ODEKUJDJCZNUQD-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256084;MM256084;CCC=NNC(CC)CO;LILGTJUNHMYHDK-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256085;MM256085;CC(=O)C(C)=CCC(C)C;SEWIYDKGNVLHPH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256086;MM256086;C=CC=NNC(CC)CO;HFGBGPOIVHQBGT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256087;MM256087;CC(=O)C(C)=CCC(C)F;QYQLNUYPCOHHAL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256088;MM256088;CC(=O)C(C)=CCC(F)F;JFMIRISUACCBNC-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256089;MM256089;CC(=CCC(C)C)C(=N)N;STDFWNJCWUURPB-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256090;MM256090;CC(=CCC(C)F)C(=N)N;QKELSQZVTRVUNQ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256091;MM256091;CC(=CCC(F)F)C(=N)N;FHRWPNOTQDUUGK-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256092;MM256092;CC=C(C=NNCC)CO;UUQRKSHADJKGJA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256093;MM256093;CCC(C)=CC1NC1CO;JZDGXIMCSIRQOV-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256094;MM256094;C=NN1CC2CC2(CO)C1;XFBKTEXNKOPGJT-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256095;MM256095;CC1CC1(F)C1NC1CO;STBMMOPXAKHMMN-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256096;MM256096;CC(=CCC(C)C)C(=O)O;BLCHIKLQYBVYAF-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256097;MM256097;CCC(O)C(O)CC(=O)O;IMXCEUOMKHNTOT-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256098;MM256098;CC(=CCC(C)F)C(=O)O;XJFFMIBLXAOZAG-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256099;MM256099;CC(=CCC(F)F)C(=O)O;QVDJGGNRAWQJTR-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256100;MM256100;C=C(F)C(C)=CCC(C)N;CDMVPYCHWUABMV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256101;MM256101;C=C(C)C(F)=CCC(C)N;IYIALTNFXCTXLL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256102;MM256102;C=C(C)C(F)=CCC(C)O;FJLQLWQMHZJHGM-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256103;MM256103;CC(=O)C(F)=CCC(C)O;ANMDCADJWFBHIA-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256104;MM256104;CC(=O)C(F)=CCC(C)F;ANWDEVUVBDXVDX-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256105;MM256105;CC(=O)C(F)=CCC(F)F;VQSKXEJWLMAUCO-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256106;MM256106;O=C(O)C(F)=CCC(F)F;JUGQJTMTJSDKRJ-UHFFFAOYSA-N;154.09;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256107;MM256107;CC(=O)C(C)=CNC(C)C;MOZLLNNKAWLXKG-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256108;MM256108;C=NN1CC2(CO)CC1C2;UYUZVTVZTZABDS-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256109;MM256109;CC(C)(O)C(O)CC(=O)O;UXBNVMDLZGGSAF-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256110;MM256110;CC(=O)C(F)=CNC(C)C;UEYQYQKJNJFWEA-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256111;MM256111;CC1C(C2(CO)CC2)N1C;HHSKYIRQIXVTNX-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256112;MM256112;C=C(C)C(C)=NNC(C)C;FYEVRUBORDIDOS-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256113;MM256113;CC12CN1CC1(CO)CC12;IZPRVMWLWQTQRD-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256114;MM256114;C=C(F)C(C)=NNC(C)C;UEVIBWBYGBPZKG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256115;MM256115;COC(OC)C1NC1CO;UIZKSAAELLFQSB-UHFFFAOYSA-N;147.17;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256116;MM256116;C=CC(OC)C1NC1CO;XCQNIDGIHSQWOE-UHFFFAOYSA-N;143.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256117;MM256117;CC(O)COCCC(=O)O;VMYHHNZCNXKUAO-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256118;MM256118;C=C(F)C(C)=CCN(C)C;BHCREBRASDHWJH-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256119;MM256119;C=C(C)C(C)=CCC(=N)N;IZDCUUCJOZKCIJ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256120;MM256120;C#CC(C#N)N1CC1CO;NWYSHYPMNIKBLO-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256121;MM256121;C=C(C)C(C)=CCC(=O)O;SFPNRDQTFRVMLD-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256122;MM256122;C=C(C)CC=C(C)C(C)=O;FOGKEFJULFNWQR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256123;MM256123;CC(=O)CC=C(C)C(C)=O;LRQPBWGHPPMRQW-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256124;MM256124;CC(=O)C(C)=CCC(N)=O;TVXUIUUGHYYWAT-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256125;MM256125;CC(C(=O)O)C1CC1O;SZCRXOCJQGKOCN-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256126;MM256126;C=C(F)CC=C(C)C(C)=O;IMEGKYJDCPTKMG-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256127;MM256127;C=C(C)CC=C(C)C(=N)N;BTDQFFHNPCSKQC-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256128;MM256128;CC(=CCC(=N)N)C(=N)N;XPGBLVWJHXJZDU-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256129;MM256129;C=C(F)CC=C(C)C(=N)N;JYIVSYQXKLYINJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256130;MM256130;CCC(=CF)C1NC1CO;HCFJPLVQULTHTN-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256131;MM256131;CC(=CCC(=N)N)C(N)=O;WPTAZBOBDYEDHR-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256132;MM256132;CC(CO)C(O)CC(=O)O;VFXFWGSPGRUWSJ-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256133;MM256133;C=C(C)CC=C(C)C(=O)O;GFKWAOGUAFQGPE-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256134;MM256134;C=C(F)C(C)=CCC(N)=O;GRAZWWXOIBYYGV-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256135;MM256135;C=C(C)C(F)=CCC(=N)N;NXPZNRCNEBYJKL-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256136;MM256136;C=C(C)C(F)=CCC(N)=O;ZZHAQIHCDXAGKP-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256137;MM256137;C=C(C)CC=C(F)C(C)=O;LAHVMNMUQGEBFB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256138;MM256138;CC(=O)C(F)=CCC(N)=O;ORVKTVOXTXAQTC-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256139;MM256139;C=C(F)CC=C(F)C(C)=O;NVAKQQUSQVSSLI-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256140;MM256140;C=C(C)CC=C(F)C(=N)N;XUBXHMLMHIAFPZ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256141;MM256141;CC(=O)CC=C(F)C(N)=O;ACAXSEGFKNCJEU-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256142;MM256142;C=C(F)C(F)=CCC(=N)N;OIKPSNPZAOKEGJ-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256143;MM256143;C=C(C)C(C)=CNC(C)=N;SFWVUUIPEXZGBG-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256144;MM256144;C=C(C)C(C)=CNC(C)=O;XDYLQOQYDQQYJC-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256145;MM256145;CC(=N)NC=C(C)C(C)=O;MKQKKLHEZWDALY-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256146;MM256146;CC(=O)NC=C(C)C(N)=O;CDRFQJYIFYUAAL-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256147;MM256147;C=C(F)C(C)=CNC(C)=N;IXNJJOYKLBSXAN-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256148;MM256148;C=C(F)C(C)=CNC(C)=O;FZWDWANNBREOCZ-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256149;MM256149;C=C(C)C(F)=CNC(C)=N;OKJCJSSWOYVYDA-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256150;MM256150;C=C(C)C(F)=CNC(=N)N;KLRVYEOIBBPTHV-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256151;MM256151;CC(=N)NC=C(F)C(C)=O;SZMHJWNYSFRQNK-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256152;MM256152;CC(=O)NC=C(F)C(C)=O;CHTNULAPMCRCMH-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256153;MM256153;C=C(F)C(F)=CNC(N)=O;SEHZEJKRQZLNKN-UHFFFAOYSA-N;148.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256154;MM256154;C=C(C)OC=C(C)C(C)=O;FAJHEIDHZRYAEN-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256155;MM256155;CCc1onc(C=O)c1O;TZADZTFLTQJHGZ-UHFFFAOYSA-N;141.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256156;MM256156;CC(=O)OC=C(F)C(C)=O;PBWYSGSFBYCPMD-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256157;MM256157;C=C(C)C(C)=NNC(C)=O;GLXCJVCESSRVOM-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256158;MM256158;CC(=NNC(N)=O)C(=N)N;DFTNGYQLNPCRRK-UHFFFAOYSA-N;143.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256159;MM256159;CC(=NNC(N)=O)C(N)=O;JARSENPYLLAZTK-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256160;MM256160;Cn1[nH]ncc1=O;SNRYLDKJDJBNCX-UHFFFAOYSA-N;99.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256161;MM256161;C=C(F)C(C)=NNC(N)=O;UXXPPICHZOKZBG-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256162;MM256162;CC=C(CF)C1NC1CO;NGGBHFICHDOWAH-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256163;MM256163;C=C(F)C(C)=NOC(N)=O;PYNNZTDAOKLPPD-UHFFFAOYSA-N;146.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256164;MM256164;CC(=CC=C(F)F)C(C)N;GLZCPSXRCRWLMR-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256165;MM256165;CC(C)=NN=C(C)C(C)O;MLIFRLISBNGMGU-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256166;MM256166;CC(N)C(=N)NN=C(N)N;QIUHXAWFVSJKSR-UHFFFAOYSA-N;144.18;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256167;MM256167;CC(F)C(=N)NN=C(N)N;JKJPPNOHWHIQNK-UHFFFAOYSA-N;147.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256168;MM256168;CC(C)=NN=C(C)N(C)C;XBWOGIGUORXCNQ-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256169;MM256169;CC(C)=NN=C(C)N(C)N;XFYGQWRUOZDOFI-UHFFFAOYSA-N;142.21;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256170;MM256170;C#CC(=CC)C1NC1CO;VNOXNEVDHJRLQB-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256171;MM256171;CC(=O)C(C)=CC=C(C)F;IJSXREJLIIOVRN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256172;MM256172;CC(=O)C(C)=CC=C(F)F;HDQUERDWFJKNTF-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256173;MM256173;CC(C)=CC=C(C)C(=N)N;AZDLUBHCRQMIQE-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256174;MM256174;CC(F)=CC=C(C)C(=N)N;UWSACIMDHINRAW-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256175;MM256175;CC(=CC=C(F)F)C(=N)N;DHPZXNCDZFRBKX-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256176;MM256176;C#CCC(F)C1NC1CO;AKURUDCINURGJG-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256177;MM256177;C=C(CCC)C1NC1CO;HMBLIRLOBFFDLD-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256178;MM256178;C=C(CC#N)C1NC1CO;IZQRBVHZNZFASK-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256179;MM256179;CC(C)=CC=C(C)C(=O)O;YGLNXMOCZLUGEO-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256180;MM256180;CC(=CC=C(F)F)C(=O)O;KVTUQENHRMHCBY-UHFFFAOYSA-N;148.11;1.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256181;MM256181;C=C(F)C(C)=CC=C(F)F;JKCXBBWDAMUTSK-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256182;MM256182;C=C(C)C(F)=CC=C(F)F;UIFIDXONOZUEFM-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256183;MM256183;CC(=O)C(F)=CC=C(C)C;QRSZQBGCKKWFAA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256184;MM256184;O=C(O)C(F)=CC=C(F)F;PPURBMWXINTOGA-UHFFFAOYSA-N;152.07;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256185;MM256185;C=C(F)C(F)=CC=C(F)F;LWZIDNQMCKILTI-UHFFFAOYSA-N;152.09;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256186;MM256186;CC(C)=NN=C(C)C(=N)N;XHAZRSLDLQOIDK-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256187;MM256187;CC(C)=NN=C(C)C(N)=O;RSQQLCBNJZHRRI-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256188;MM256188;CC(=O)C(=N)NN=C(N)N;CXGQNXPFCXYXSV-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256189;MM256189;CC(C)=C(C)CCC(F)F;MTTKALSKKVATJG-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256190;MM256190;CC(F)=C(C)CCC(C)N;QXEHJNBHFNQDDS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256191;MM256191;CCC=C(C)C1NC1CO;RNMKRCLRVPSLAY-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256192;MM256192;CC(F)=C(C)CCC(C)F;SUOCDAOKCCVCSP-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256193;MM256193;CC(F)=C(C)CCC(F)F;FKAKTBFQMBBMQX-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256194;MM256194;CC(CCC(C)N)=C(F)F;JHWHZSOBWLJXPG-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256195;MM256195;CC(CCC(F)F)=C(F)F;UPMOJPZESGLBNC-UHFFFAOYSA-N;156.12;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256196;MM256196;CC(C)=C(F)CCC(C)N;WAQITOQVVZDLLY-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256197;MM256197;CC(C)=C(F)CCC(C)O;SBNVTAJQXJIJCN-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256198;MM256198;CC(C)=C(F)CCC(C)F;YNKMKEOADKUOLQ-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256199;MM256199;CC(C)=C(F)CCC(F)F;NVRMEUSWVMKCGH-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256200;MM256200;CC(F)=C(F)CCC(F)F;PCXNAQMFDMWNQV-UHFFFAOYSA-N;156.12;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256201;MM256201;CC(CNC(C)C)=C(F)F;UWZWXAHUEKVNBX-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256202;MM256202;CC(C)=C(C)OCC(C)O;VCVVAKOIXRZYRY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256203;MM256203;CC(C)=C(C)OCC(C)F;TWDQLZJKSWJRSV-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256204;MM256204;CC(C)=C(C)CCN(C)C;XIEWZPAVMXONIK-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256205;MM256205;CC(F)=C(C)CCN(C)C;HLJPSJVVSKRHFE-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256206;MM256206;CC(CCN(C)C)=C(F)F;VZBFUADNGAAHFE-UHFFFAOYSA-N;149.18;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256207;MM256207;CC(C)=C(F)CCN(C)C;GQUNNTAZQABGBS-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256208;MM256208;CC(F)=C(F)CCN(C)C;UFHFXXMCHADONX-UHFFFAOYSA-N;149.18;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256209;MM256209;C=C(C)CCC(C)=C(C)C;OHKFMKLEEODNBZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256210;MM256210;CC(=O)CCC(C)=C(C)C;HASNVACCRLSDMU-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256211;MM256211;CC(C)=C(C)CCC(=N)N;CXAIMVWUWKNSAA-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256212;MM256212;CCOCC1C(CO)N1C;ZCKMVAPWKJNNCO-UHFFFAOYSA-N;145.2;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256213;MM256213;CC(C)=C(C)CCC(=O)O;KLACQCRQAPTJSM-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256214;MM256214;C=C(F)CCC(C)=C(C)C;PCJNRJROEKQPAY-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256215;MM256215;C=C(C)CCC(C)=C(C)F;JIOSEXHAJKTKLF-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256216;MM256216;CC(=O)CCC(C)=C(C)F;JZKMWCPUBXOJNN-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256217;MM256217;CC(F)=C(C)CCC(=N)N;SKXZTYJZVIJWJQ-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256218;MM256218;CC(F)=C(C)CCC(=O)O;JOBFAXPMYFJYEW-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256219;MM256219;C=C(F)CCC(C)=C(C)F;YXOZHJGPTCAIQO-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256220;MM256220;C=C(C)CCC(C)=C(F)F;SOLQLNMLJMLEAB-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256221;MM256221;CC(=O)CCC(C)=C(F)F;CFJFCINTZYRVRR-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256222;MM256222;CC(CCC(N)=O)=C(F)F;MBNLWJWKVABYIT-UHFFFAOYSA-N;149.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256223;MM256223;CC(CCC(=O)O)=C(F)F;RRZXBSMGHPARCD-UHFFFAOYSA-N;150.12;2.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256224;MM256224;C=C(F)CCC(C)=C(F)F;BPSGAYGAFWAKOP-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256225;MM256225;C=C(C)CCC(F)=C(C)C;KBSRPUXKBJEJFJ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256226;MM256226;CC(=O)CCC(F)=C(C)C;LVVCYGIVHAEUTP-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256227;MM256227;CC(C)=C(F)CCC(=N)N;CXAZJGYLYMZCIR-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256228;MM256228;CC(C)=C(F)CCC(=O)O;SEFDBKHZAIPJPW-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256229;MM256229;C=C(F)CCC(F)=C(C)C;CDFGNUQPGNXUNP-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256230;MM256230;C=C(C)CCC(F)=C(C)F;YOTQWKOSYOPUHE-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256231;MM256231;CC(=O)CCC(F)=C(C)F;KRXXVVPQYSNNRZ-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256232;MM256232;CC(F)=C(F)CCC(=O)O;RJTGTKOTRDLHEG-UHFFFAOYSA-N;150.12;2.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256233;MM256233;C=C(F)CCC(F)=C(C)F;NAKPLGABEYCFKM-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256234;MM256234;O=C(O)CCC(F)=C(F)F;YWHZHTHRRXAUFQ-UHFFFAOYSA-N;154.09;1.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256235;MM256235;C=C(F)CCC(F)=C(F)F;MSGMTSIRLSPXRD-UHFFFAOYSA-N;154.11;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256236;MM256236;CC(=N)NCC(C)=C(C)C;KACNDVXFUBHCGR-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256237;MM256237;CC(=N)NCC(C)=C(C)F;JDOJNRSBAIWBQN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256238;MM256238;CC(=N)NCC(C)=C(F)F;LHRAJPIGVOXWSF-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256239;MM256239;CC(CNC(N)=O)=C(F)F;WOSDRINQEUHQRY-UHFFFAOYSA-N;150.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256240;MM256240;CC(=N)NCC(F)=C(C)C;FHERFOQTJDEWIE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256241;MM256241;CC(C)=C(F)CNC(N)=O;KPGXFAUSCLAZRK-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256242;MM256242;CC(F)=C(F)CNC(=N)N;SJUFKGURXOMWRH-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256243;MM256243;CC(F)=C(F)CNC(N)=O;LCZWONSLOFDDDY-UHFFFAOYSA-N;150.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256244;MM256244;CC(C)=C(C)COC(=N)N;YZJRQHNLOHOWLN-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256245;MM256245;CC(F)=C(C)COC(=N)N;QXNUBSZGCHTZPT-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256246;MM256246;CC(C)=C(F)COC(=N)N;BNBFSJBPTLPODD-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256247;MM256247;CC(F)=C(F)COC(N)=O;KEWOUYFMETWSDU-UHFFFAOYSA-N;151.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256248;MM256248;CC(C)=C(C)OCC(=N)N;NQSDEVAASRRADN-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256249;MM256249;CC(F)=C(C)OCC(=N)N;GRESLNHKPPRSGZ-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256250;MM256250;CC(OCC(=N)N)=C(F)F;BBJCVBJUDGHOSE-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256251;MM256251;CC(F)=C(F)C=NN(C)C;CTTCMYLDZUYVNG-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256252;MM256252;CN(C)N=CC(F)=C(F)F;GBXFQELUBCHXJU-UHFFFAOYSA-N;152.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256253;MM256253;CC(C)=C(C)C=CC(=O)O;QQLXJOJOBDQEIW-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256254;MM256254;CC(=O)C=CC(C)=C(C)F;KLYFDTBCTGOYSK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256255;MM256255;CC(F)=C(C)C=CC(=N)N;FZRJZIGAWVGQLQ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256256;MM256256;NN=C1CCC(CO)=CO1;QDUYDTQJCPQTNG-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256257;MM256257;CC(=O)C=CC(C)=C(F)F;PSUSLLULSUUVEP-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256258;MM256258;CC(=O)C=CC(F)=C(C)C;ZSICDZKFQZZIEB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256259;MM256259;C=C(C)C=CC(F)=C(F)F;WRPDNAXDZYYKBX-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256260;MM256260;CC(C#CC(F)F)=C(F)F;VCHGXNZUEQVZIR-UHFFFAOYSA-N;152.09;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256261;MM256261;CC(F)=C(F)C#CC(C)N;JPSLMKNQZKMYRV-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256262;MM256262;CC(F)=C(F)C#CC(C)O;ISEHFZQKWKKJKE-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256263;MM256263;CC(=O)C#CC(C)=C(C)F;HHYXYWFWMQSVBA-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256264;MM256264;CC(=O)C#CC(C)=C(F)F;PPGMZZUNZMUEFA-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256265;MM256265;CC(C#CC(N)=O)=C(F)F;GMXPZONHIITNDB-UHFFFAOYSA-N;145.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256266;MM256266;CC(F)=C(F)C#CC(=N)N;OGIISABSTQHTBR-UHFFFAOYSA-N;144.12;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256267;MM256267;CC(F)=C(F)C#CC(N)=O;JBOMBZWSFXCPHH-UHFFFAOYSA-N;145.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256268;MM256268;CC(F)=C(F)C#CC(=O)O;HIJGVTNDDMZVEE-UHFFFAOYSA-N;146.09;1.24;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256269;MM256269;N=C(N)C#CC(F)=C(F)F;GQGZFHLDEXEVGD-UHFFFAOYSA-N;148.09;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256270;MM256270;NC(=O)C#CC(F)=C(F)F;QKPQZYHZZCVAPS-UHFFFAOYSA-N;149.07;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256271;MM256271;CC(C)=CCC(C)=C(F)F;STSHLGZAVJDTSV-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256272;MM256272;CC(C)=CCC(F)=C(F)F;KOIKRTSTYKRBCR-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256273;MM256273;CC(C)=COC(C)=C(C)C;ONOLGYGUQFZZNY-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256274;MM256274;CC(F)=COC(C)=C(C)C;LFDALJCDPGSIKL-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256275;MM256275;CC#CC1(C)CC(N)C1C;NDHIMSFZPXGCGI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256276;MM256276;CC=C(C=NN1CC1)CO;HSBGOBDTKUNAJA-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256277;MM256277;CC#CC1(N)CC(O)C1C;IKQHKCWMTHWKJO-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256278;MM256278;CC#CC1(N)CC(F)C1C;QCABZIVJLVFIBO-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256279;MM256279;C#CCC1(N)CC(CC)C1;QACZKRSLHXVAIW-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256280;MM256280;C#CCC1(C)CC(CC)N1;OEQKNMUJSIYJIE-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256281;MM256281;C#CCC1(C)CC(C=O)C1;PZCNLIWWUOHBFF-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256282;MM256282;C#CCC1(C)CC(C#N)C1;UIDYEPOJVVYWTA-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256283;MM256283;C#CCC1(C)CN(C=N)C1;XRDQCWAHFAAPEQ-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256284;MM256284;C#CCC1(C)CN(C=O)C1;YOOBFEJXHLAGPU-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256285;MM256285;C#CCC1(C)CC(C#C)C1;VRROTPKWNIUZSK-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256286;MM256286;CC=CC1(C)CC(CN)C1;RZGRXPZLNPCXBL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256287;MM256287;CC=CC1(C)CC(C=O)C1;DRPMXIZASIBHTK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256288;MM256288;CC#CC1(C)CC(CC)C1;VZTKAHPWBGZDPC-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256289;MM256289;CC#CC1(C)CC(CN)C1;LHJLNFWYCUCZCI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256290;MM256290;N#CC1NCC2(CO)CC12;NNOSDDUDMGDBPM-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256291;MM256291;CC#CC1(C)CC(CF)C1;UZGJLGPFROQNHK-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256292;MM256292;CC#CC1(N)CC(CC)C1;LMQUTXMBOHLLEK-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256293;MM256293;CC#CC1(N)CC(CN)C1;SZHNBDRMSUCJSY-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256294;MM256294;CC#CC1(N)CC(CO)C1;RNGIIUWUFXJHHT-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256295;MM256295;CC#CC1(N)CC(CF)C1;PTPBOCUJBWVHEF-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256296;MM256296;CC#CC1(O)CC(CC)C1;XKDOKLDUQWNFDY-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256297;MM256297;CC#CC1(O)CC(CO)C1;WGDBUIOZUVYPDZ-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256298;MM256298;CC#CC1(O)CC(CF)C1;AKOYVFKLEMOISL-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256299;MM256299;CC#CC1(C)CC(NC)C1;HEWUUZMEAIVLFK-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256300;MM256300;CC#CC1(N)CC(NC)C1;HGHJCAOUGXMIQW-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256301;MM256301;CC#CC1(O)CC(NC)C1;BHHFAEXKCIWGID-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256302;MM256302;CC#CC1(C)CC(OC)C1;NGHGZMXQTDCMCK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256303;MM256303;CC#CC1(N)CC(OC)C1;ZDGIDIAHHRGTHU-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256304;MM256304;CC#CC1(O)CC(OC)C1;JXZJPLOKIRKCPL-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256305;MM256305;CC#CC1(C)CC(CC)N1;QQSZVJYBYHUKHV-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256306;MM256306;CC#CC1(C)CC(CN)N1;JRRXQDVWODYDAL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256307;MM256307;CC#CC1(C)CC(CO)N1;RVDIYXNMMOPVBV-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256308;MM256308;CC#CC1(C)CC(CN)O1;CZIMFXKNJWETLA-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256309;MM256309;CC#CC1(C)CC(CO)O1;GWVBYCGZAKIBKK-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256310;MM256310;CC#CC1(C)CC(CF)O1;FXRXVOUFHQACDE-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256311;MM256311;CCC1(CO)CC1N1CC1;MGJGOWJOLIVMCM-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256312;MM256312;C=CC1CC(C)(C#CC)C1;QPXANRCJTWZGDS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256313;MM256313;CC#CC1(C)CC(C=O)C1;MVCSKXXWWNAVQD-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256314;MM256314;CC#CC1(C)CC(C#N)C1;GITSYOQSUZLSPB-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256315;MM256315;C=CC1CC(N)(C#CC)C1;OUTCXQQGFHMLAG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256316;MM256316;C=CC1CC(O)(C#CC)C1;APQFPJKLPUDTNX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256317;MM256317;CC#CC1(O)CC(C=O)C1;YQLGOOPMGGKSDW-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256318;MM256318;CC#CC1(O)CC(C#N)C1;FULUWTBSEKZAHO-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256319;MM256319;C=CC1CC(C)(C#CC)N1;MPGHUQDXTSQZMF-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256320;MM256320;CC#CC1(C)CC(C#N)N1;COZLCAXHEZOMMU-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256321;MM256321;C=CC1CC(C)(C#CC)O1;UOJHZPNKPGPOJN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256322;MM256322;CC#CC1(C)CC(C=O)O1;SMWDFXMYVXBITJ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256323;MM256323;CC#CC1(C)CC(C#N)O1;WGYVDDQPLTTXOR-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256324;MM256324;CC#CC1(C)CN(C=N)C1;WDEZSRYGLCKIRM-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256325;MM256325;CC#CC1(C)CN(C=O)C1;QJKAXRQWOZILNQ-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256326;MM256326;CC#CC1(N)CN(C=N)C1;BGHYKTSNJIBMDJ-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256327;MM256327;CC#CC1(O)CN(C=N)C1;SQLOVUOYAIQNSV-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256328;MM256328;CC#CC1(O)CN(C=O)C1;OBSZLXBTEALNSA-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256329;MM256329;CC#CC1(F)CN(C=N)C1;HSSOIULJJUWFBT-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256330;MM256330;CC#CC1(F)CN(C=O)C1;UAFSYTIWLZPQBM-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256331;MM256331;C=NN1CC(C)(C#CC)C1;GXDFZLABIMPBGM-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256332;MM256332;C=NN1CC1C1(CO)CC1;STNIIHGAKOWWKI-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256333;MM256333;C=NN1CC(F)(C#CC)C1;PNQLEOUZKQJJDI-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256334;MM256334;C#CC1CC(C)(C#CC)C1;RCKWNZYKAYYZKF-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256335;MM256335;C#CC1CC(N)(C#CC)C1;IFJZKXGAJCJKLQ-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256336;MM256336;C#CC1CC(O)(C#CC)C1;BAFMWTFNPDOLLS-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256337;MM256337;C#CC1CC(C)(C#CC)O1;JZGKCMICNZPDRE-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256338;MM256338;CN1CC1CO;OPHVCWSZWMWCSF-UHFFFAOYSA-N;87.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256339;MM256339;CC#CC1(O)CCC(N)C1;ALMQJOCHHHKSFO-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256340;MM256340;CC#CC1(C)CNC(=N)C1;UTUFIYMVNVPTIP-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256341;MM256341;CC#CC1(C)CNC(=O)C1;WVWLQQAHHWOCKZ-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256342;MM256342;C=C1CC(C)(C#CC)CO1;GZDNIIJCBHSUHJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256343;MM256343;C=C1CC(N)(C#CC)CO1;PYKBDQFXRZRBEE-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256344;MM256344;CC#CC1(C)CCC(=N)N1;FRVJDIYCUKVPNZ-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256345;MM256345;CC#CC1(C)CCC(=O)N1;OCNIMRXVZTZTCI-UHFFFAOYSA-N;137.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256346;MM256346;CC#CC1(C)CNC(=N)N1;VPYIZTRYBYIRBU-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256347;MM256347;CC#CC1(C)C=CC(C)C1;RRSDXROZPONXML-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256348;MM256348;CC#CC1(C)C=CC(N)C1;LJGIGNAEWJRUEZ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256349;MM256349;C=NNC(C)CO;ZJWFCRQVXSHFRC-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256350;MM256350;CC#CC1(N)C=CC(N)C1;ZIUQVMTUTGUUJD-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256351;MM256351;CC#CC1(N)C=CC(O)C1;WDSWNWGTXJRRDI-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256352;MM256352;CC#CC1(N)C=CC(F)C1;XGZLVIPDVBUNQM-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256353;MM256353;CC#CC1(C)C=CC(C)N1;KUFFWAJZKDHGGV-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256354;MM256354;CC#CC1(C)C=NN(C)C1;YLRDTBYXAJMAJB-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256355;MM256355;CC#CC1(C)CN(N)C=N1;IICOGYYTOCVNTJ-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256356;MM256356;OCC1NC1CF;MJFRTEHASJYMPW-UHFFFAOYSA-N;105.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256357;MM256357;C=C1C=CC(C)(C#CC)C1;XEEKHJLAVZAENK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256358;MM256358;CC#CC1(C)C=CC(=O)C1;FHHFTUVABBWOIV-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256359;MM256359;C=C1C=CC(N)(C#CC)C1;KWPOPVAMISNUSJ-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256360;MM256360;C=C1C=CC(O)(C#CC)C1;SNESUPJPNUXNSV-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256361;MM256361;CC#CC1(C)C=CC(=N)N1;WGJCMVONUYANJW-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256362;MM256362;CC#CC1(C)C=CC(=O)N1;YHPNDSAROORTIO-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256363;MM256363;C=C1C=CC(C)(C#CC)O1;LPUTWIVIIYKOJK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256364;MM256364;CC#CC1(C)CC=C(C)C1;FFYLPHFXIPRZIQ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256365;MM256365;CC#CC1(C)CC=C(F)C1;VHRDSDHPYAPKHX-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256366;MM256366;CC#CC1(N)CC=C(C)C1;MAOZDJGGTCYVJQ-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256367;MM256367;CC#CC1(N)CC=C(F)C1;ZGCNHPWRLLBDKA-UHFFFAOYSA-N;139.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256368;MM256368;CC#CC1(O)CC=C(C)C1;JQVKZVQVDZSTPR-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256369;MM256369;CCN1CC1CO;NKTFRYZWAUKZRP-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256370;MM256370;CC#CC1(C)CC(C)=CO1;HECXMTZGPCQYIQ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256371;MM256371;CC#CC1(C)CC=C(C)O1;FSBTZKSRNSZGOI-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256372;MM256372;CC#CC1(C)C=C(C)CC1;TYDYQOWMSMCCEB-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256373;MM256373;CC#CC1(C)C=C(F)CC1;LSGHKQDSYMWJEL-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256374;MM256374;CC#CC1(N)C=C(C)CC1;JWMVZEZHBVPYEZ-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256375;MM256375;CC#CC1(N)C=C(F)CC1;RHVGIQDCGSTOAP-UHFFFAOYSA-N;139.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256376;MM256376;CC#CC1(O)C=C(C)CC1;YFKZUDWRDYSMAI-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256377;MM256377;CC#CC1(C)C=C(C)OC1;OAHVNOJQFBBYEL-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256378;MM256378;CC#CC1(C)C=C(C)CN1;HCSFILWTBLVLBD-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256379;MM256379;CC#CC1(C)C=CC(C)=C1;LDGCQEHEILLLAW-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256380;MM256380;CC#CC1(C)C=CC(F)=C1;LDPRNBAXFUESLT-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256381;MM256381;CC#CC1(O)C=CC(C)=C1;WBPSNKKZMPPAJZ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256382;MM256382;CC(C)C(C)C1(N)CC1C;WFSGYHUXVDBUOE-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256383;MM256383;CC(C)C(C)C1(N)CC1N;GHBBTZDCUDTKFH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256384;MM256384;CC1CC1(C)C(C)N(C)C;YCOKYIOCOKSTQW-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256385;MM256385;C=C(C)C(C)C1(C)CC1C;VBHJLSVWOYDMKF-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256386;MM256386;CC(=O)C(C)C1(C)CC1C;KQZWVYKERFCCGK-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256387;MM256387;CC1CC1(C)C(C)C(=N)N;FMBCPOIRLQQFMQ-UHFFFAOYSA-N;140.23;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256388;MM256388;C=C(C=NNC)CO;YQJUNDYXWKWINL-UHFFFAOYSA-N;114.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256389;MM256389;C=C(C)C(N)C1(C)CC1C;LCZBMODPCFSRAR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256390;MM256390;C=C(C)C(C)C1(C)CC1N;RROITEVELYVDOX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256391;MM256391;CC(C(=N)N)C1(C)CC1N;JMKBFRXMWYYWKN-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256392;MM256392;CC(C(N)=O)C1(C)CC1N;FCTDOKBXBOYAKF-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256393;MM256393;COCC1NC1CO;LMXVZSCIIOTLFE-UHFFFAOYSA-N;117.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256394;MM256394;CC(=O)C(C)C1(C)CC1O;GYELXSHOKXQMIK-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256395;MM256395;CC(C(=N)N)C1(C)CC1O;WPHWWLZOQYMPMY-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256396;MM256396;C=C(F)C(C)C1(C)CC1O;DOSNVYRDQJCRLN-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256397;MM256397;C=C(C)C(C)C1(N)CC1C;PZLYHHCNQWRQKD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256398;MM256398;CC1CC1(N)C(C)C(=N)N;MSASUIAVQZOLLI-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256399;MM256399;CC(C(=N)N)C1(N)CC1N;CPZZBJKLCIFACS-UHFFFAOYSA-N;142.21;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256400;MM256400;CC(=N)N(C)C1(C)CC1C;RNAHNXGTBHLHOI-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256401;MM256401;C=C(C)C(C)C1(C)OC1C;NCTQHLWXSSTLOL-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256402;MM256402;C=C(C(C)C)C1(C)CC1C;KOOJBLICUCDQAN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256403;MM256403;OCC1CN1CCF;XEOSCEISVVRPEE-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256404;MM256404;C=C(C(C)F)C1(C)CC1C;ODHAQPJDZGQMTM-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256405;MM256405;C=C(C(C)C)C1(C)CC1N;WTEKADVKJQKOFR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256406;MM256406;C=C(C(C)C)C1(C)CC1F;QWYIPJUOMUIXCL-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256407;MM256407;CC1CC1(C)C(=O)N(C)C;KWOJRUXATGLSHQ-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256408;MM256408;C=C(C(C)N)C1(C)OC1C;BEPKFKGQGJXYSC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256409;MM256409;C=C(C(C)C)C1(C)CN1C;CAFYAXDWTAMINN-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256410;MM256410;C=C(C(C)=O)C1(C)CC1C;NLEYYKCJWGOAOX-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256411;MM256411;C=C(C(=N)N)C1(C)CC1C;CLAMUXNUABOYKA-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256412;MM256412;N#CCC1NC1CO;VNDVTPXDUCCGOB-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256413;MM256413;C=C(C)C(=C)C1(N)CC1N;OEPQUKLUGUFEFF-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256414;MM256414;C=CCN1CC1CO;ACXZTMIRKDYVLR-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256415;MM256415;O=CCN1CC1CO;UUGSCZOHAMJEFC-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256416;MM256416;C=C(C)C1(C)CN(C)C1C;YTMSEQNJBWKVRY-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256417;MM256417;C=C(C)C1(N)CN(C)C1C;BXMXUMNIYNAZOS-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256418;MM256418;CCC(C)CC1(C)CC1C;MNLLHVBNMRMEDR-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256419;MM256419;CC(CN)CC1(C)CC1C;CIOBMAGTFRPPJA-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256420;MM256420;CC(CF)CC1(C)CC1C;JPSUSSXWIVSSOO-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256421;MM256421;CCC(N)CC1(C)CC1C;NQJMHCUWNJHRNO-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256422;MM256422;CC1CC1(C)CC(N)CN;VVEMJFZSETVBNV-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256423;MM256423;CC1CC1(C)CC(N)CO;AHOTVCCHAGWZDQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256424;MM256424;CC1CC1(C)CC(N)CF;QOQDMUYRNCOULB-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256425;MM256425;N#CCN1CC1CO;MRLJEWVKDHEKGI-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256426;MM256426;CC1CC1(C)CC(O)CN;IJHYYCOSBNTRDU-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256427;MM256427;CC1CC1(C)CC(O)CF;JAPFVSLLYIOTHV-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256428;MM256428;CCC(F)CC1(C)CC1C;QFZTXMHCDCTYTO-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256429;MM256429;CC1CC1(C)CC(F)CN;CNPUXWXDNZOGQR-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256430;MM256430;CC1CC1(C)CC(F)CO;ZAEFKKWTBCJRBP-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256431;MM256431;CCC(C)CC1(C)CC1N;YDXFJXGTBUWMIO-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256432;MM256432;CC(CN)CC1(C)CC1N;MRUBSLGLDLOTEG-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256433;MM256433;CC(CO)CC1(C)CC1N;LWONFEABGTWAIU-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256434;MM256434;CC(CF)CC1(C)CC1N;AXLGLEJGGDQEPK-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256435;MM256435;CCC(N)CC1(C)CC1N;XJBNRAGJUIDZBD-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256436;MM256436;CC1(CC(N)CN)CC1N;QNVLOUDHHKOXBB-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256437;MM256437;CC1(CC(N)CF)CC1N;DOHWEROWSRGRIS-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256438;MM256438;CCC(O)CC1(C)CC1N;SJJHIOWFNBMWQW-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256439;MM256439;CC1(CC(O)CN)CC1N;GXLCXQFEPNWXFF-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256440;MM256440;CC1(CC(O)CO)CC1N;JFQFIADPUXRPEH-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256441;MM256441;CC1(CC(O)CF)CC1N;DVQBBHLGNDAYFO-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256442;MM256442;CCC(F)CC1(C)CC1N;CVZYQVAJBYHUCP-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256443;MM256443;CC1(CC(F)CN)CC1N;UFIZSWKTGPXCFY-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256444;MM256444;CC1(CC(F)CF)CC1N;CGJANFNQFLKMKM-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256445;MM256445;C#CCN1CC1CO;YKVDDESNOCCUGT-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256446;MM256446;CC(CN)CC1(C)CC1O;VMWXPRCVYQIXTA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256447;MM256447;OCC1NC1C1CO1;AUDYKTHMSJBUCM-UHFFFAOYSA-N;115.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256448;MM256448;OCC1CN1C1CC1;QDBRLRMUTWUYKI-UHFFFAOYSA-N;113.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256449;MM256449;CCC(N)CC1(C)CC1O;YQYNRONTDNURGO-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256450;MM256450;CC1(CC(N)CN)CC1O;YBUGGONHIACGFQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256451;MM256451;CC1(CC(N)CO)CC1O;PWHZNHUSCVDPQR-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256452;MM256452;CC1(CC(N)CF)CC1O;NHULWDDCJJSSCE-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256453;MM256453;CCC(O)CC1(C)CC1O;GJVPWTIDWNXGMU-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256454;MM256454;CC1(CC(O)CN)CC1O;WQUPBGHNCOYYQI-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256455;MM256455;CC1(CC(O)CO)CC1O;QIJPVGHSQNNACC-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256456;MM256456;CC1(CC(O)CF)CC1O;VZALXTUQLYEOGH-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256457;MM256457;CC1(CC(F)CN)CC1O;MHRXJNWJAMGYEW-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256458;MM256458;CC1(CC(F)CF)CC1O;YTAFMCGIRRRSHY-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256459;MM256459;CCC(C)CC1(C)CC1F;MBCMCMVDBYUDTC-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256460;MM256460;CC(CN)CC1(C)CC1F;SEPPVHYIUPAOMU-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256461;MM256461;CCC(N)CC1(C)CC1F;OMYWBFHVWPSWSX-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256462;MM256462;CC1(CC(N)CN)CC1F;OVSBXZUDZWBRMI-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256463;MM256463;CC1(CC(N)CF)CC1F;KPRFMDYJTMGMFJ-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256464;MM256464;CCC(O)CC1(C)CC1F;YUWMDWWBTHXOPQ-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256465;MM256465;CC1(CC(O)CO)CC1F;DFUCVDBLCGJTTF-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256466;MM256466;CC1(CC(O)CF)CC1F;CGHFQXXESHQYDT-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256467;MM256467;CC1(CC(F)CN)CC1F;HADASIJYOCJUMF-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256468;MM256468;CC1(CC(F)CF)CC1F;RADRKPDBVAZHHL-UHFFFAOYSA-N;152.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256469;MM256469;CCC(C)CC1(N)CC1C;YHHDTFPYQSHIPA-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256470;MM256470;CC(CN)CC1(N)CC1C;VSHVBLGGUBGIBX-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256471;MM256471;CC(CO)CC1(N)CC1C;FXHDSURQEOEUBQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256472;MM256472;CC(CF)CC1(N)CC1C;VKDHBLCKQJZEJZ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256473;MM256473;CCC(N)CC1(N)CC1C;RDKIZVHHVOLFPX-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256474;MM256474;CC1CC1(N)CC(N)CN;BCNCXOGERXZACA-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256475;MM256475;CC1CC1(N)CC(N)CO;OPMACVKFKBYXGP-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256476;MM256476;CC1CC1(N)CC(N)CF;LNOYTDJRECTBJP-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256477;MM256477;CCC(O)CC1(N)CC1C;QMBRRWSIFJWFPF-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256478;MM256478;CC1CC1(N)CC(O)CN;RVGIMZSXMVNZGG-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256479;MM256479;CC1CC1(N)CC(O)CO;NSTNONYARPXHOD-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256480;MM256480;CC1CC1(N)CC(O)CF;PLNQZDDKAWIOQI-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256481;MM256481;CCC(F)CC1(N)CC1C;XJRVRQSHJBEKQD-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256482;MM256482;CC1CC1(N)CC(F)CN;ZBIXEUNLFCIFJJ-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256483;MM256483;CCC(C)CC1(N)CC1N;XKADJCOENZGJHL-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256484;MM256484;CC(CN)CC1(N)CC1N;OFAIBMUPBQTLKM-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256485;MM256485;CC(CO)CC1(N)CC1N;IJRRTJBCWHZGDL-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256486;MM256486;CC(CF)CC1(N)CC1N;BDUMPRXMLZECLS-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256487;MM256487;CCC(N)CC1(N)CC1N;RXJYFNREQLDMIU-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256488;MM256488;NCC(N)CC1(N)CC1N;GGBKBNMAURLUEG-UHFFFAOYSA-N;144.22;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256489;MM256489;NC(CO)CC1(N)CC1N;LYDVKJVWZZEBGQ-UHFFFAOYSA-N;145.21;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256490;MM256490;CCC(O)CC1(N)CC1N;JVDNROKVCRFYBU-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256491;MM256491;NC1CC1(N)CC(O)CO;CLDBVYOPNVHEOQ-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256492;MM256492;NC1CC1(N)CC(O)CF;RRIXBKGNDAHTSU-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256493;MM256493;CCC(F)CC1(N)CC1N;YKCVXURAOLQRQS-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256494;MM256494;NCC(F)CC1(N)CC1N;NVAUYFAKAQNLKQ-UHFFFAOYSA-N;147.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256495;MM256495;NC1CC1(N)CC(F)CO;ICQOWKPTDNTPLJ-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256496;MM256496;CCC(C)CC1(N)CC1O;GVBOWSBNOSSNIX-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256497;MM256497;CC(CN)CC1(N)CC1O;HJAUYEDAWNIKSC-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256498;MM256498;CC(CO)CC1(N)CC1O;GMAWHHCNOKOYLH-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256499;MM256499;CC(CF)CC1(N)CC1O;GTNTVBMZFDMQGC-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256500;MM256500;NCC(N)CC1(N)CC1O;LOTDRKCHBADRQN-UHFFFAOYSA-N;145.21;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256501;MM256501;NC(CO)CC1(N)CC1O;HRGAAMZZNLNART-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256502;MM256502;CCC(O)CC1(N)CC1O;IXGIVRGYEGVZDP-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256503;MM256503;NC1(CC(O)CF)CC1O;MKOGSGKAUWQMTF-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256504;MM256504;CCC(F)CC1(N)CC1O;FAYFGCMZQBBMIZ-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256505;MM256505;CCC(C)CC1(N)CC1F;RLWSERUHHOZIPH-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256506;MM256506;CC(CO)CC1(N)CC1F;YIXKCYHTJYSQFJ-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256507;MM256507;NCC(N)CC1(N)CC1F;ZJACXEBGMPOWGO-UHFFFAOYSA-N;147.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256508;MM256508;CCC(O)CC1(N)CC1F;SIEBYLVHPJTGFM-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256509;MM256509;NC1(CC(O)CF)CC1F;BDODHNRIKDROHK-UHFFFAOYSA-N;151.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256510;MM256510;C=C(C=NN(C)C)CO;OFWVLWKQROFSBJ-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256511;MM256511;CC(CN)CC1(O)CC1C;UILJMEUGUVNGLJ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256512;MM256512;CC(CF)CC1(O)CC1C;KIPUXKDXDUZKFE-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256513;MM256513;CCC(N)CC1(O)CC1C;GEXWMYVYUXFVOJ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256514;MM256514;CC1CC1(O)CC(N)CN;WVWQSDLJQPCXAO-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256515;MM256515;CC1CC1(O)CC(N)CF;FBTKTPMFSOIWQB-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256516;MM256516;CCC(O)CC1(O)CC1C;VLQKMFACAQKBQT-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256517;MM256517;CC1CC1(O)CC(O)CN;RUGSNWOECVFPQN-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256518;MM256518;CC1CC1(O)CC(O)CO;PNUMIAJISDCJDR-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256519;MM256519;CC1CC1(O)CC(O)CF;QKSWTJPZKHNWEL-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256520;MM256520;CCC(F)CC1(O)CC1C;KLMOOBLRDLMZBV-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256521;MM256521;CC1CC1(O)CC(F)CN;CAMWERKFCFVZFS-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256522;MM256522;CC1CC1(O)CC(F)CO;IPDRIJADZCHURB-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256523;MM256523;CCC(C)CC1(O)CC1N;WVQUFCYRAAANTM-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256524;MM256524;CC(CN)CC1(O)CC1N;OGUFUSQFPLWFOI-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256525;MM256525;CC(CO)CC1(O)CC1N;DFBACMRYMSDQIP-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256526;MM256526;CC(CF)CC1(O)CC1N;VTHKMSBIFYXIFW-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256527;MM256527;CCC(N)CC1(O)CC1N;WSONWTMKLBEONG-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256528;MM256528;NCC(N)CC1(O)CC1N;ADGNFDXDFJANEU-UHFFFAOYSA-N;145.21;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256529;MM256529;NC(CF)CC1(O)CC1N;PIPVSAHMIAPCDE-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256530;MM256530;CCC(O)CC1(O)CC1N;NGPGAMYQFKKFTE-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256531;MM256531;NCC(O)CC1(O)CC1N;SBAVXGQTEVRARM-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256532;MM256532;CCC(F)CC1(O)CC1N;MLDQCAYPAZVMMB-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256533;MM256533;NCC(F)CC1(O)CC1N;WTGHEMRVTGUHSD-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256534;MM256534;NC1CC1(O)CC(F)CO;LUWBTSHSDQMNAI-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256535;MM256535;NC1CC1(O)CC(F)CF;QWTZAKYBNOBIGQ-UHFFFAOYSA-N;151.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256536;MM256536;CCC(C)CC1(O)CC1O;VRKFSHSWQHNUID-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256537;MM256537;CC(CN)CC1(O)CC1O;PDEWWHDLEMHXAT-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256538;MM256538;NCC(N)CC1(O)CC1O;HKOQSZNPJDUFFG-UHFFFAOYSA-N;146.19;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256539;MM256539;CCC(O)CC1(O)CC1O;NPXVZDOZPVYLTL-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256540;MM256540;CCC(F)CC1(O)CC1O;OXPNPORJCJFJEF-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256541;MM256541;CC(CN)CC1(O)CC1F;FOOZWKQGNPIUHZ-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256542;MM256542;NC(CO)CC1(O)CC1F;AFHMSGGLSJVFQJ-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256543;MM256543;CCC(C)CC1(F)CC1C;ZMUBRUVRXHNPBB-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256544;MM256544;CC(CN)CC1(F)CC1C;FLJMADNCTWWPTJ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256545;MM256545;CC(CO)CC1(F)CC1C;LPQJWOJLYGILNV-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256546;MM256546;CC(CF)CC1(F)CC1C;GTLVTPBZDAQTGE-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256547;MM256547;CCC(N)CC1(F)CC1C;DOTNJUHQBGJRMO-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256548;MM256548;CC1CC1(F)CC(N)CN;KCSZWKHBLCXZKG-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256549;MM256549;CCC(O)CC1(F)CC1C;FFOAHCXBWINKMS-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256550;MM256550;CC1CC1(F)CC(O)CN;JSTKQKHFXMAIQO-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256551;MM256551;CC1CC1(F)CC(O)CO;FSWOFISIWIJIJE-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256552;MM256552;CC1CC1(F)CC(O)CF;BLSMVGVWPMKOLU-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256553;MM256553;CCC(F)CC1(F)CC1C;QLNAMPSYPRXCHI-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256554;MM256554;CC1CC1(F)CC(F)CN;WUSPYWPTAJUMSH-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256555;MM256555;CC1CC1(F)CC(F)CO;GGXCXJUDBFASHM-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256556;MM256556;CC1CC1(F)CC(F)CF;MDHJJUMXYJIOPS-UHFFFAOYSA-N;152.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256557;MM256557;CCC(C)CC1(F)CC1N;LLVZZLPCJFMADQ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256558;MM256558;CC(CO)CC1(F)CC1N;HNAKRJIMZRLWGV-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256559;MM256559;CCC(N)CC1(F)CC1N;JHQAVOBKJXALMW-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256560;MM256560;NC(CO)CC1(F)CC1N;BYPUTLUXNREISR-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256561;MM256561;NCC(O)CC1(F)CC1N;GRYVNYMLCNYGJL-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256562;MM256562;CCC(F)CC1(F)CC1N;UHFJNBBJSYWKHW-UHFFFAOYSA-N;149.18;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256563;MM256563;CC(CF)CC1(F)CC1O;HSMLJLUPMWMBIO-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256564;MM256564;NC(CO)CC1(F)CC1O;QNZHZQKBENVCRY-UHFFFAOYSA-N;149.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256565;MM256565;CCC(F)CC1(F)CC1O;FPCPFQIEGDQECY-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256566;MM256566;CNC(C)CC1(C)CC1C;DUHPXZJHKYIQPS-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256567;MM256567;CNC(C)CC1(C)CC1N;YPEBYSPBQGNSAX-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256568;MM256568;CNC(C)CC1(C)CC1O;UNQHSVQSMYZCLS-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256569;MM256569;CNC(C)CC1(C)CC1F;GLZMXOASXFGBCZ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256570;MM256570;CNC(C)CC1(N)CC1C;VEFIPXLIPQCSJG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256571;MM256571;CNC(C)CC1(N)CC1N;JQSIRMDYJYPHRZ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256572;MM256572;CNC(C)CC1(N)CC1O;FTYPLIJOOWZKFX-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256573;MM256573;CNC(C)CC1(O)CC1C;CPBGXJWHKDUEQJ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256574;MM256574;CNC(C)CC1(O)CC1N;IWUGOVHYJRKGBM-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256575;MM256575;CNC(C)CC1(O)CC1O;HLSNKUMNBKMYLG-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256576;MM256576;CNC(C)CC1(O)CC1F;JKXWYLGRCASASN-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256577;MM256577;CNC(C)CC1(F)CC1C;AKTFNFPHUNMTRM-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256578;MM256578;CNC(C)CC1(F)CC1N;QDHSSEFGFVIXEP-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256579;MM256579;COC(C)CC1(C)CC1C;UEFAXBGPIWOAFT-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256580;MM256580;COC(C)CC1(C)CC1N;GWLKRTSAHFUJMS-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256581;MM256581;COC(C)CC1(C)CC1O;FWILZDNFKFDYIT-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256582;MM256582;COC(C)CC1(N)CC1C;NZFOGMMUBNUPDI-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256583;MM256583;COC(C)CC1(N)CC1O;XNXJPZRZBHBWSG-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256584;MM256584;COC(C)CC1(N)CC1F;CUNBFHASVVRCAG-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNda";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256585;MM256585;COC(C)CC1(O)CC1C;IIJXYKASQQWGEN-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256586;MM256586;COC(C)CC1(O)CC1N;HYHLLLBOANNZNI-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256587;MM256587;COC(C)CC1(O)CC1O;XNWOLOFWXGVOAC-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256588;MM256588;COC(C)CC1(F)CC1C;NXELGOHVXAIQOP-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256589;MM256589;CCC(C)NC1(C)CC1C;QOFQRHPZZNUMGY-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256590;MM256590;CC(CN)NC1(C)CC1C;LSTOWCIDXMENCU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256591;MM256591;CC(CO)NC1(C)CC1C;QGMSQOQPBFHJPR-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256592;MM256592;CCC(C)NC1(C)CC1N;HMHGTFHQRRYTRM-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256593;MM256593;CC(CN)NC1(C)CC1N;IEZOKUYXXCFDMG-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256594;MM256594;CC(CO)NC1(C)CC1N;PENXEZQRYBZGBQ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256595;MM256595;CC(CF)NC1(C)CC1N;BDXVKGAVHDYVHX-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256596;MM256596;CC(CN)NC1(C)CC1O;GHCUORKMTXQQKG-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256597;MM256597;CC(CN)NC1(C)CC1F;UOEYJFDEKUJCJI-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256598;MM256598;CCC(C)OC1(C)CC1C;CHIIYDHICXYHSL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256599;MM256599;CC(CN)OC1(C)CC1C;RQCIIVHMWKRZRC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256600;MM256600;CC(CF)OC1(C)CC1C;OYFSJXVWLXZTJT-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256601;MM256601;CCC(C)OC1(C)CC1N;JPJXWZACUIHFBT-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256602;MM256602;CC(CN)OC1(C)CC1N;UNMCKBYPHJRGGZ-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256603;MM256603;CCC(C)OC1(C)CC1O;IHRZXBJVAROXGX-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256604;MM256604;COC(C)OC1(C)CC1C;LWCNTRAQZIGBLJ-UHFFFAOYSA-N;144.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256605;MM256605;COC(C)OC1(C)CC1N;GIMKNRNGWNDYTN-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256606;MM256606;COC(C)OC1(C)CC1O;VWFISXKRJDZPLD-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256607;MM256607;CCN(C)CC1(C)CC1C;MRUXQCAGEWIUIH-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256608;MM256608;CCN(C)CC1(C)CC1N;AGVYACXJRZSDFL-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256609;MM256609;CCN(C)CC1(C)CC1O;JETUUKMBOLWCBX-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256610;MM256610;CCN(C)CC1(C)CC1F;LGHRCSDKZBQDEH-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256611;MM256611;CCN(C)CC1(N)CC1C;CYHLUGDGCQYURF-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256612;MM256612;CCN(C)CC1(N)CC1N;MZPZZBYSFOOFAY-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256613;MM256613;CCN(C)CC1(N)CC1O;ZMMKFDDBARHKJL-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256614;MM256614;CCN(C)CC1(O)CC1C;RELSMDYBWYGMID-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256615;MM256615;CCN(C)CC1(O)CC1N;JOLLAHKFSGNTIB-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256616;MM256616;CCN(C)CC1(O)CC1O;IKXXBEKPBFIFSV-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256617;MM256617;CCN(C)CC1(O)CC1F;JTDUQRMNRRYRFZ-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256618;MM256618;CCN(C)CC1(F)CC1N;CZLVKBWPLURCBH-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256619;MM256619;CC(CN)CC1(C)NC1C;PWVAHWNSIZFBJL-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256620;MM256620;CCC(N)CC1(C)NC1C;GCUVMNOMMDUBJN-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256621;MM256621;CC1NC1(C)CC(N)CN;FIRKFLPXBWCONV-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256622;MM256622;CC1NC1(C)CC(N)CO;DSRJYQLFIGOAFA-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256623;MM256623;CC1NC1(C)CC(N)CF;ZTUXSWMNMUUFHV-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256624;MM256624;CC1NC1(C)CC(O)CN;IJEFBSJPHAXAEB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256625;MM256625;CC1NC1(C)CC(F)CN;FDUCYZSJVMCHJM-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256626;MM256626;CNC(C)CC1(C)NC1C;NVFXGSSGSWDFGP-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256627;MM256627;CCN(C)CC1(C)NC1C;JCAKXACAFSEIKS-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256628;MM256628;CCC(C)CC1(C)OC1C;ZYRSGZWPOFEDRK-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256629;MM256629;CC(CN)CC1(C)OC1C;WVVXHDAPUWTVMQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256630;MM256630;CC(CO)CC1(C)OC1C;JUFWSFPFYYLRRE-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256631;MM256631;CC(CF)CC1(C)OC1C;GNGXGTUZHKXNCJ-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256632;MM256632;CCC(N)CC1(C)OC1C;LSJWVHWAPGKOSS-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256633;MM256633;CC1OC1(C)CC(N)CN;KGQIBFLIPWZRBZ-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256634;MM256634;CC1OC1(C)CC(N)CO;OAKJJWMMQXPVRY-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256635;MM256635;CC1OC1(C)CC(N)CF;ZHRQGXAFPWOXEO-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256636;MM256636;CCC(O)CC1(C)OC1C;SWEIAOQBORJPNF-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256637;MM256637;CC1OC1(C)CC(O)CN;SDEVSLANCFERSI-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256638;MM256638;CC1OC1(C)CC(O)CO;RUJGGTYOPYAHCL-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256639;MM256639;CC1OC1(C)CC(O)CF;TWDTVKMWZQZTPT-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256640;MM256640;CCC(F)CC1(C)OC1C;DPADSHRQUAHAAH-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256641;MM256641;CC1OC1(C)CC(F)CN;OLRWUXHMWXUSEX-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256642;MM256642;CNC(C)CC1(C)OC1C;MZEUOWOSOPFIDQ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256643;MM256643;COC(C)CC1(C)OC1C;RBNYKWGHIZLMGV-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256644;MM256644;CCN(C)CC1(C)OC1C;CAVYMSRZOPRIPO-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256645;MM256645;CC(CN)CC1(C)CN1C;VFRBWCCEMIKLJR-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256646;MM256646;CCC(N)CC1(C)CN1C;FFCRIUYZXKSKNI-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256647;MM256647;CN1CC1(C)CC(N)CN;FMWJPDIQCYYHEC-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256648;MM256648;CN1CC1(C)CC(N)CF;GKPFUCLQWKRMGS-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256649;MM256649;CN1CC1(C)CC(O)CN;QDUZQWHSXNYNJL-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256650;MM256650;C#CCON=CC(N)=O;WKCQCBYWBKDAKP-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256651;MM256651;CN1CC1(C)CC(F)CN;GWZLSRIVLPSEHP-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256652;MM256652;CCC=NNC(C)CO;XGTZPFSHBUBVTP-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256653;MM256653;CNC(C)CC1(C)CN1C;VOVDBIFJPDYZJO-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256654;MM256654;CCN(C)CC1(C)CN1C;PZMDLWXPXLHGQB-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256655;MM256655;C=CC(C)CC1(C)CC1C;AOJXMPFMSROTFE-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256656;MM256656;CC(C=O)CC1(C)CC1C;RLBMPONOMQBCSM-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256657;MM256657;CC(C#N)CC1(C)CC1C;WLKJJZRAVJTFCP-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256658;MM256658;C=CC(N)CC1(C)CC1C;WRKZZALPAMVZBU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256659;MM256659;CC(CO)NN=CCF;CKHHWQQUYYHTSF-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256660;MM256660;CC1CC1(C)CC(O)C=O;MWRXOSZENKRYRW-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256661;MM256661;CC1CC1(C)CC(O)C#N;KDHDKHUHWIXMPY-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256662;MM256662;C=CC(F)CC1(C)CC1C;INCOHCWCBHCPGT-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256663;MM256663;CC1CC1(C)CC(F)C=O;FHGSQKNNHCJHIR-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256664;MM256664;CC1CC1(C)CC(F)C#N;PQEWKYBDHJBSMD-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256665;MM256665;C=CC(C)CC1(C)CC1N;DPUAIOJDPCJXRY-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256666;MM256666;C=CC(N)CC1(C)CC1N;RXTKQXWITDNVTG-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256667;MM256667;C=CC(O)CC1(C)CC1N;FVSSUGBHWFWNHB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256668;MM256668;C=CC(F)CC1(C)CC1N;NPNYSZWJRJSJOV-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256669;MM256669;C=CC=NNC(C)CO;RQTZPUIECRAOJU-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256670;MM256670;C#CCN(N)C(=O)NC;CNBJZJYDEAWQQE-UHFFFAOYSA-N;127.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256671;MM256671;C=CC(N)CC1(C)CC1O;COSDTEJCMYAQJC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256672;MM256672;C=CC(O)CC1(C)CC1O;FBVZTNNXHZULRU-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256673;MM256673;CC1(CC(O)C=O)CC1O;FYWHNQPBQHFPIO-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256674;MM256674;CC1(CC(O)C#N)CC1O;YTAAKPHEPOALLD-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256675;MM256675;C=CC(F)CC1(C)CC1O;QZEAGQPIJRKGPC-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256676;MM256676;CC1(CC(F)C=O)CC1O;RCRYHEOWVKYQCD-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256677;MM256677;CC(C=O)CC1(C)CC1F;ZAHRRNKPPIYHLJ-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256678;MM256678;CC(C#N)CC1(C)CC1F;VIWREQDKZHIMGJ-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256679;MM256679;C=CC(O)CC1(C)CC1F;ISKDJFLRPUBZHG-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256680;MM256680;C=CC(F)CC1(C)CC1F;FFFNAIBBOZCINF-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256681;MM256681;C=CC(C)CC1(N)CC1C;QJWLZWCOGFYTOM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256682;MM256682;C=CC(N)CC1(N)CC1C;AYJFTLCKIGRTHD-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256683;MM256683;C=CC(O)CC1(N)CC1C;NHOKLEHGNHKJQH-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256684;MM256684;C=CC(F)CC1(N)CC1C;PXLHHWLFEPMFRI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256685;MM256685;C=CC(C)CC1(N)CC1N;UNYKZRDBIJGGNC-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256686;MM256686;C=CC(N)CC1(N)CC1N;VYLGLSLPWWSWDF-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256687;MM256687;C=CC(O)CC1(N)CC1N;FQOZFKMCFOXEIR-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256688;MM256688;C=CC(F)CC1(N)CC1N;KUQGIZHCXZNZFI-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256689;MM256689;C=CC(C)CC1(N)CC1O;WCUNAOGRATYVDT-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256690;MM256690;C=CC(N)CC1(N)CC1O;VKTOMVWAXRGIFX-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256691;MM256691;C=CC(F)CC1(N)CC1O;LOYJVLAHIQQLPQ-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256692;MM256692;C=CC(C)CC1(N)CC1F;ATMFSTCYRUDRFI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256693;MM256693;C=CC(N)CC1(N)CC1F;KRCLZPOHJPGPLV-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256694;MM256694;C=CC(F)CC1(N)CC1F;CMHJDUYZNBTCHC-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256695;MM256695;C=NNC1CC1(C)CO;ZCBOCEPSYNZEEL-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256696;MM256696;CC(C=O)CC1(O)CC1C;CAYXPYCYZRZJNV-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256697;MM256697;CC(C#N)CC1(O)CC1C;ITMMZVDZCKKQCW-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256698;MM256698;C=CC(N)CC1(O)CC1C;COELTQKWUMJPRL-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256699;MM256699;C=CC(O)CC1(O)CC1C;DQZHWMDCTDKNRZ-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256700;MM256700;CC1CC1(O)CC(O)C=O;XJEYMJPCJSPPMM-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256701;MM256701;CC1CC1(O)CC(O)C#N;UWGXDXOAYFSENF-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256702;MM256702;C=CC(F)CC1(O)CC1C;AXNKABKYDUXXIE-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256703;MM256703;CC1CC1(O)CC(F)C=O;YXXZPIOGUGSAHU-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256704;MM256704;CC1CC1(O)CC(F)C#N;ZRWWNFLXGJEIFO-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256705;MM256705;C=CC(C)CC1(O)CC1N;UZJSQDGYHJRSSC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256706;MM256706;C=CC(N)CC1(O)CC1N;MQDBWLDGHARXLT-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256707;MM256707;C=CC(O)CC1(O)CC1N;CCDAHJVXDZQNSC-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256708;MM256708;C=CC(F)CC1(O)CC1N;OPHNLDGODYMKEP-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256709;MM256709;C=CC(C)CC1(O)CC1O;IVZYYZWKXWULMO-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256710;MM256710;CC(C=O)CC1(O)CC1O;VXNZHRPJEWELPH-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256711;MM256711;CC(C#N)CC1(O)CC1O;CHLWPNKZLXQSQF-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256712;MM256712;O=CC(O)CC1(O)CC1O;UCWRREOLYQTEQC-UHFFFAOYSA-N;146.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256713;MM256713;N#CC(O)CC1(O)CC1O;DYNNDSYZQZJWPX-UHFFFAOYSA-N;143.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256714;MM256714;C=CC(F)CC1(O)CC1O;WTRCRWYTSNWEID-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256715;MM256715;C=CC(C)CC1(O)CC1F;XGNKWLBRWTZKCA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256716;MM256716;CC(C#N)CC1(O)CC1F;IGTCVLJJAIQPGN-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256717;MM256717;C=CC(F)CC1(O)CC1F;BXARXXHNXDERET-UHFFFAOYSA-N;148.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256718;MM256718;N#CC(F)CC1(O)CC1F;GMLVBNGXPVKADX-UHFFFAOYSA-N;147.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256719;MM256719;C=CC(C)CC1(F)CC1C;NBPJTZQLCFLSHM-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256720;MM256720;CC(C=O)CC1(F)CC1C;LWOYZQNYVZXMOE-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256721;MM256721;C=CC(N)CC1(F)CC1C;ASRSLCMOKBMXOZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256722;MM256722;C=CC(O)CC1(F)CC1C;IBPZZRITGGKHDM-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256723;MM256723;CC1CC1(F)CC(O)C=O;ZNXWSHJSNLXEQW-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256724;MM256724;CC1CC1(F)CC(O)C#N;UGXUDHHZFHNXNE-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256725;MM256725;C=CC(F)CC1(F)CC1C;BMEBZCYAWOETNP-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256726;MM256726;CC1CC1(F)CC(F)C#N;LJACHLOAYOXUHI-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256727;MM256727;C=CC(C)CC1(F)CC1N;WOVUWXZZZXIONZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256728;MM256728;CC(C#N)CC1(F)CC1O;DJWPDBKLHHTIGE-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256729;MM256729;N#CC(O)CC1(F)CC1O;OUUUQXNKQLFQCY-UHFFFAOYSA-N;145.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256730;MM256730;C=CC(O)CC1(F)CC1F;MNFJILQGEJJHOK-UHFFFAOYSA-N;148.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256731;MM256731;C=CC(C)NC1(C)CC1C;PVISJVHKWNQZGT-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256732;MM256732;CC(C=O)NC1(C)CC1C;ZSKXNWIIGQAHHF-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256733;MM256733;CC(C#N)NC1(C)CC1C;RQGCQRWLIBGIJH-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256734;MM256734;C=CC(C)NC1(C)CC1N;YMQLGFUJVAOWPO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256735;MM256735;C=CC(C)NC1(C)CC1O;SYZUQIUFWKYROV-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256736;MM256736;COC(C=NN)C(N)=O;QYUSYDRUFWAEFE-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256737;MM256737;CC(C#N)NC1(C)CC1F;XPUMSBZPTDGDQB-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256738;MM256738;C=CC(C)OC1(C)CC1C;RFFPABIMGFDSPL-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256739;MM256739;CC(C=O)OC1(C)CC1C;UFNSZCQPSJPZGO-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256740;MM256740;CC(C#N)OC1(C)CC1C;LDKDDFRTQLZPNJ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256741;MM256741;C=CC(C)OC1(C)CC1N;RNEOSHVTDVFMHC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256742;MM256742;C=CC(C)OC1(C)CC1O;JEEPWUQKFOFMDZ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256743;MM256743;CC(C=O)OC1(C)CC1O;OGBVBSNTQMUSCZ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256744;MM256744;CC(C#N)OC1(C)CC1O;NMECFFLLFRRAKC-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256745;MM256745;C=CC(C)OC1(C)CC1F;XXYIYSCRIHIVMY-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256746;MM256746;CC(C=O)OC1(C)CC1F;OGDDYKFRTLIEDP-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256747;MM256747;CC(C#N)OC1(C)CC1F;LHWWDOQSTMJRGE-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256748;MM256748;CC1CC1(C)CN(C)C=N;CHGWNAJFBTUDGB-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256749;MM256749;CC1CC1(C)CN(C)C=O;BKPBQJXMGXWCDU-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256750;MM256750;CC1CC1(C)CN(N)C=N;MEXQVSDIDFFNPP-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256751;MM256751;CC1CC1(C)CN(N)C=O;WIICTFSAAJCYCZ-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256752;MM256752;CC1CC1(C)CN(O)C=N;UQOSEHPVVSPCAA-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256753;MM256753;CC1CC1(C)CN(O)C=O;ZDVPCTADBQDEKC-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256754;MM256754;CN(C=N)CC1(C)CC1N;BBXJTDOGFIMUAO-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256755;MM256755;CN(C=O)CC1(C)CC1N;BGSIESNCOJTKHJ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256756;MM256756;CC1(CN(O)C=N)CC1N;QYRHSUMEVRGHPX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256757;MM256757;CN(C=N)CC1(C)CC1O;PBUJKERLGTXDGG-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256758;MM256758;CN(C=O)CC1(C)CC1O;HWWAYRBHLHMRSW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256759;MM256759;CC1(CN(O)C=N)CC1O;WFKXHIXLUYWSCA-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256760;MM256760;CC1(CN(O)C=O)CC1O;UPZYWNQIFNEPQS-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256761;MM256761;CN(C=N)CC1(C)CC1F;OOICAWCQXYMKSN-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256762;MM256762;CC1(CN(N)C=N)CC1F;QIIXUHAEGYJZSO-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256763;MM256763;CC1(CN(N)C=O)CC1F;WKRRZOAQNOYGHF-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256764;MM256764;CC1CC1(N)CN(C)C=N;WJARRYTYDZSLSR-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256765;MM256765;CC1CC1(N)CN(C)C=O;KDWJEHMXJVSITI-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256766;MM256766;CN(C=N)CC1(N)CC1N;AFUCNVJXWFUULR-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256767;MM256767;CN(C=O)CC1(N)CC1N;ANIYMINQLRDEGC-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256768;MM256768;N=CN(O)CC1(N)CC1N;XCBWTSLNWCVVHO-UHFFFAOYSA-N;144.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256769;MM256769;CN(C=N)CC1(N)CC1O;BSOWJRGBKUZXNB-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256770;MM256770;CC1CC1(O)CN(C)C=N;MBHBCIVQOOPJRD-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256771;MM256771;CC1CC1(O)CN(C)C=O;FETMQGKOKMOBJF-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256772;MM256772;CC1CC1(O)CN(N)C=N;QWKLCQHVFRWRBP-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256773;MM256773;Cc1cc(N)c(C)n1O;XRTHHUFNCLUCPM-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256774;MM256774;CN(C=N)CC1(O)CC1N;NJIPSNHIJHYOQH-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256775;MM256775;CN(C=O)CC1(O)CC1F;MNBCIVUFIQUHDE-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256776;MM256776;CC1CC1(F)CN(C)C=N;XCWYGNZIZCVJHX-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256777;MM256777;CC1CC1(F)CN(C)C=O;HMWORFWQWSWOPW-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256778;MM256778;CC1CC1(F)CN(N)C=N;ONSQXGOUGWULRB-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256779;MM256779;CC1CC1(F)CN(N)C=O;GMMZVZUYLSGTPM-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256780;MM256780;C=NN(C)CC1(C)CC1C;RDTAFQYATGPXKY-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256781;MM256781;C=NN(C)CC1(C)CC1N;LYJLHICZIHWNQD-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256782;MM256782;C=NNCC1(CO)CC1;HYFQGMDQMXBMBT-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256783;MM256783;C=NN(C)CC1(C)CC1F;QCQZDRPAOCEZIV-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256784;MM256784;C=NN(C)CC1(N)CC1C;BIHNSGXEEBYXMM-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256785;MM256785;C=NN(C)CC1(N)CC1N;WDKRNAUFDILDIW-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256786;MM256786;C=NN(C)CC1(N)CC1O;LWTKVAONBJIYCE-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256787;MM256787;O=CN1CCC(CO)N1;SNFNEHPDUARYNW-UHFFFAOYSA-N;130.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256788;MM256788;C=NN(C)CC1(O)CC1N;TVABBSXJWCMECD-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256789;MM256789;C=NN(C)CC1(F)CC1C;YJIQEESOLZWJQE-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256790;MM256790;CC1CC1(C)NN(C)C=N;NUGVODDZJHUDMV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256791;MM256791;CC1CC1(C)NN(C)C=O;PMHMTNRJCHURTF-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256792;MM256792;CN(C=N)NC1(C)CC1N;BNSGTDLOBBPWDO-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256793;MM256793;CN(C=O)NC1(C)CC1N;RNWCCEVFPQQZIG-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256794;MM256794;CN(C=N)NC1(C)CC1O;PZTCYKGJFDDDQD-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256795;MM256795;O=CN1C=C(CO)CN1;UYQJQTCZFHWXHK-UHFFFAOYSA-N;128.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256796;MM256796;CC1CC1(C)ON(C)C=N;CBTKBGSUUGOBIR-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256797;MM256797;CC1CC1(C)ON(C)C=O;SRTVKXFAJVVRSV-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256798;MM256798;CN(C=N)OC1(C)CC1N;VECWXQSRKNOCCI-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256799;MM256799;CN(C=O)OC1(C)CC1N;PGCQSRMKFZUULR-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256800;MM256800;CN(C=N)OC1(C)CC1O;RGNJAZXAMQMBTO-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256801;MM256801;CN(C=O)OC1(C)CC1O;HJVLOZCRNRAXDM-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256802;MM256802;CN(C=N)OC1(C)CC1F;PGWAWMDCAXHPHI-UHFFFAOYSA-N;146.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256803;MM256803;CN(C=O)OC1(C)CC1F;NEORJZNSBONSEA-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256804;MM256804;C=CC(N)CC1(C)NC1C;VZAXZMCYKLSHNT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256805;MM256805;C=C(C=NN1CC1)CO;QHCRIEXPNQBARQ-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256806;MM256806;CC1NC1(C)CN(C)C=N;SCECTDOWSZJSOW-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256807;MM256807;CC1NC1(C)CN(N)C=N;XCSSAUXSXNMUIC-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256808;MM256808;C=CC(C)CC1(C)OC1C;WEZREZWVRQHTSO-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256809;MM256809;CC(C=O)CC1(C)OC1C;UCMUPSCLZNEMLY-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256810;MM256810;CC(C#N)CC1(C)OC1C;GFNBYRNDXRQKMS-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256811;MM256811;C=CC(N)CC1(C)OC1C;NEBNQMPOSYZCAI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256812;MM256812;C=CC(O)CC1(C)OC1C;LMIDGVLINVQWRR-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256813;MM256813;CC1OC1(C)CC(O)C=O;HFLBGBAZFHQFCK-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256814;MM256814;CC1OC1(C)CC(O)C#N;KWUFQSYZSYRMQT-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256815;MM256815;C=CC(F)CC1(C)OC1C;RBCRCQLHHDIWJX-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256816;MM256816;CC1OC1(C)CC(F)C#N;ZLQUIBYRASJMCV-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256817;MM256817;CC1OC1(C)CN(C)C=N;IRUIRFFFZADDKN-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256818;MM256818;CC1OC1(C)CN(C)C=O;BFMJIFCFEYGNEH-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256819;MM256819;CC1OC1(C)CN(N)C=N;APDZHSBXNDZGHF-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256820;MM256820;CC1OC1(C)CN(N)C=O;OBWLNKZHZVPDMI-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256821;MM256821;C=NN(C)CC1(C)OC1C;QJHIBBAQNFNKLA-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256822;MM256822;CC1(CO)CC1N1CC1;UJVZOFHMKFHGLT-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256823;MM256823;CC(C#N)CC1(C)CN1C;RARSJYUWWQSFOV-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256824;MM256824;CC1(N2CC2CO)CC1;LPNPBXRNYLTDDZ-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256825;MM256825;OCC1(CN2CC2)CC1;PYNPZBPLHNPEFZ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256826;MM256826;CC(C#N)C1NC1CO;RUHRTHOFIDJRKA-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256827;MM256827;CN1CC1(C)CC(F)C#N;LPLSYCFDCQBYSO-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256828;MM256828;CN(C=N)CC1(C)CN1C;HANIIFYFKOJSNY-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256829;MM256829;CN(C=O)CC1(C)CN1C;YNKLOGBTRSPIOO-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256830;MM256830;CN1CC1(C)CN(N)C=N;WKSLQWXKNZXDNR-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256831;MM256831;CN1CC1(C)CN(N)C=O;DDKHPRCEZVWCSW-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256832;MM256832;C=NN(C)CC1(C)CN1C;KWZGTRCGLKVQHS-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256833;MM256833;C#CC(C)CC1(C)CC1C;LZHSIPADPVMJRC-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256834;MM256834;C#CC(N)CC1(C)CC1C;OZEIXIMXNPIOSJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256835;MM256835;C#CC(O)CC1(C)CC1C;CIFZVAODZXRWNZ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256836;MM256836;C#CC(F)CC1(C)CC1C;QPBKDPZQKLODGO-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256837;MM256837;C#CC(C)CC1(C)CC1N;JWIJFKCULNMMND-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256838;MM256838;C#CC(N)CC1(C)CC1N;BLBWAEXJXQYMIF-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256839;MM256839;C#CC(O)CC1(C)CC1N;JRUDBYLXXJFDOA-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256840;MM256840;C#CC(F)CC1(C)CC1N;QFAWSVUARIAXEZ-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256841;MM256841;C=CC(C)N1CC1CO;KBPDTCBSIWGXRM-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256842;MM256842;C#CC(N)CC1(C)CC1O;LCAIYRHNXMPVLY-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256843;MM256843;C#CC(O)CC1(C)CC1O;RRSZOXUAELULOC-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256844;MM256844;C#CC(C)CC1(C)CC1F;ZPJLWJGTJSFDOU-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256845;MM256845;C#CC(O)CC1(C)CC1F;UPLRGPWNUSEVKK-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256846;MM256846;C#CC(C)CC1(N)CC1C;NDSZEVSTFFDASY-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256847;MM256847;C#CC(N)CC1(N)CC1C;ZKNXOYFEWTZAFX-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256848;MM256848;C#CC(O)CC1(N)CC1C;UNPRIGNVRKOASF-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256849;MM256849;C#CC(F)CC1(N)CC1C;RNEHUIOFNTZNAH-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256850;MM256850;C#CC(C)CC1(N)CC1N;FEUWQBLAUWKXNY-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256851;MM256851;C#CC(N)CC1(N)CC1N;MXPACKYNGAJZMP-UHFFFAOYSA-N;139.2;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256852;MM256852;C#CC(O)CC1(N)CC1N;FJINCJWKZZGVQL-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256853;MM256853;C#CC(N)CC1(N)CC1O;CKGPBURSYRZNFL-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256854;MM256854;C#CC(F)CC1(N)CC1O;VGNFARYDAMZPPI-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256855;MM256855;C#CC(C)CC1(N)CC1F;LVTZEZCITFQQCI-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256856;MM256856;C#CC(F)CC1(N)CC1F;RLFMFDHATDTPDS-UHFFFAOYSA-N;145.15;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256857;MM256857;CC(C=O)N1CC1CO;FZABQFVGYHBHKQ-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256858;MM256858;C#CC(N)CC1(O)CC1C;YMHJXRKWLDXBPZ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256859;MM256859;C#CC(O)CC1(O)CC1C;HNFFGGFRDSEFHC-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256860;MM256860;C#CC(F)CC1(O)CC1C;OXUQWWWKGAACBG-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256861;MM256861;C#CC(C)CC1(O)CC1N;OTCOTNFYSBHWPG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256862;MM256862;C#CC(N)CC1(O)CC1N;NPGJFWSZGMCEJW-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256863;MM256863;C#CC(O)CC1(O)CC1N;RVKMLQBKYVJIJV-UHFFFAOYSA-N;141.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256864;MM256864;C#CC(F)CC1(O)CC1N;CJLIDLSGPVPJQP-UHFFFAOYSA-N;143.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256865;MM256865;C#CC(C)CC1(O)CC1O;VJHDIRTYRDMVLY-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256866;MM256866;C#CC(O)CC1(O)CC1O;FWXCLIHPZHIWTR-UHFFFAOYSA-N;142.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256867;MM256867;C#CC(C)CC1(O)CC1F;FKUBFYXUEMWQSG-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256868;MM256868;C#CC(C)CC1(F)CC1C;BYXVQNFSJYRTRC-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256869;MM256869;C#CC(N)CC1(F)CC1C;MKLDUSOBLDJCFS-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256870;MM256870;C#CC(O)CC1(F)CC1C;UDLRCNHMZRKJDC-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256871;MM256871;C#CC(C)NC1(C)CC1C;WJIMCNRHHBZKPH-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256872;MM256872;C#CC(C)NC1(C)CC1N;OHRPBNARPITJOL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256873;MM256873;C#CC(C)NC1(C)CC1O;LCTYPOKYVFWUMT-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256874;MM256874;C#CC(C)OC1(C)CC1C;WTOPSXVJSDNTIH-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256875;MM256875;C#CC(C)OC1(C)CC1N;LDQUMWPVGQKTPG-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256876;MM256876;C#CC(C)OC1(C)CC1O;AATMUKDGUXUQNH-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256877;MM256877;C#CC(C)OC1(C)CC1F;GZOLEWCVLJYBKR-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256878;MM256878;C#CC(N)CC1(C)NC1C;LYNIPIPINGDBAS-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256879;MM256879;C#CC(C)CC1(C)OC1C;OTHCEXAXGVBSTQ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256880;MM256880;C#CC(N)CC1(C)OC1C;VZDUHIOOXKPAJF-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256881;MM256881;C#CC(O)CC1(C)OC1C;OCPBXXUGWOQDOH-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256882;MM256882;C#CC(F)CC1(C)OC1C;GKISBEBRKDZATL-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256883;MM256883;C#CC(N)CC1(C)CN1C;QUUZIVITCLWHBG-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256884;MM256884;CC(C#N)N1CC1CO;QLPJXOVQSVAPBT-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256885;MM256885;C#CC(F)CC1(C)CN1C;RNCPNGABXHYLJG-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256886;MM256886;C=C(CC)CC1(C)CC1C;SBGYHCFPUZQTJG-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256887;MM256887;C=C(CN)CC1(C)CC1C;CVIYYBRBIDLFJC-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256888;MM256888;C=C(CO)CC1(C)CC1C;VUDSZPCEOPASAR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256889;MM256889;C=C(CF)CC1(C)CC1C;KPABYUPFYMHPOX-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256890;MM256890;CCC(=O)CC1(C)CC1C;HJWPEVPMXCXYQD-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256891;MM256891;CC1CC1(C)CC(=O)CO;CBKLQVZIERDQCV-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256892;MM256892;CC1CC1(C)CC(=O)CF;OUMBRLZOYFUNMH-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256893;MM256893;C=C(CC)CC1(C)CC1N;IZZZIIRHFCMSGX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256894;MM256894;C=C(CO)CC1(C)CC1N;WJIXMEJHNWDYHU-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256895;MM256895;C=C(CF)CC1(C)CC1N;YJOSKJXZGJIAFW-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256896;MM256896;C#CC(C)N1CC1CO;XMYSPDHTKYDPQH-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256897;MM256897;C=C(CN)CC1(C)CC1O;PRKLWXCMUQSERQ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256898;MM256898;CCOCC1NC1CO;UJBJEPCIDVRKIR-UHFFFAOYSA-N;131.18;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256899;MM256899;CCC(=O)CC1(C)CC1O;LOXXVRJGMNHQCX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256900;MM256900;CC1(CC(=O)CO)CC1O;IZILSWBNFHPZKB-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256901;MM256901;CC1(CC(=O)CF)CC1O;ZQDLXAURAHRMAP-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256902;MM256902;C=C(CN)CC1(C)CC1F;HOLXKNMBUWZIQI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256903;MM256903;CCC(=O)CC1(C)CC1F;VXSOMVPJSLMQBI-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256904;MM256904;C=C(CC)CC1(N)CC1C;QMNLZZRUZMCTEK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256905;MM256905;C=C(CN)CC1(N)CC1C;NISLWUGJCAJDNK-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256906;MM256906;C=C(CO)CC1(N)CC1C;WVLVMPYFLDGILP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256907;MM256907;C=C(CF)CC1(N)CC1C;HVGTYMLCQJEWPW-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256908;MM256908;C=C(CC)CC1(N)CC1N;WKGRYBSDRMPZAO-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256909;MM256909;C=C(CN)CC1(N)CC1N;LWSBPRCDADRPPC-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256910;MM256910;C=C(CO)CC1(N)CC1N;QECAYIAUTUGGTG-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256911;MM256911;C=C(CF)CC1(N)CC1N;YEUWSGDCPDBFKW-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256912;MM256912;C=C(CN)CC1(N)CC1O;RXLAZYXHFFWGMM-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256913;MM256913;C=C(CO)CC1(N)CC1O;ZLQZGPHOYSBNTK-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256914;MM256914;C=C(CC)CC1(N)CC1F;CPWQEOLDLBTTQN-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256915;MM256915;C=C(CO)CC1(N)CC1F;DHGOIPVNYLNDSU-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256916;MM256916;C=C(CF)CC1(N)CC1F;OOHVININMMLNMV-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256917;MM256917;N#CCCC1NC1CO;IAQYIDNPWALTRC-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256918;MM256918;C=C(CN)CC1(O)CC1C;IINFEOWAALTSRB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256919;MM256919;C=C(CO)CC1(O)CC1C;NCMDNRLEIXQIPO-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256920;MM256920;C=C(CF)CC1(O)CC1C;BLDRWFCRXPWACQ-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256921;MM256921;CCC(=O)CC1(O)CC1C;GWLHYELHOSPFRO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256922;MM256922;CC1CC1(O)CC(=O)CO;ZONOANMPUPAAHG-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256923;MM256923;CC1CC1(O)CC(=O)CF;KQAGXYWUTUWUPY-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256924;MM256924;C=C(CC)CC1(O)CC1N;CDBQAZPLYWSOBS-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256925;MM256925;C=C(CN)CC1(O)CC1N;RWNWVGYRBRMPLM-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256926;MM256926;C=C(CF)CC1(O)CC1N;UGZSYJWIYHTBRZ-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256927;MM256927;C=C(CC)CC1(O)CC1O;LLNBXLDFKUTOCS-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256928;MM256928;C=C(CN)CC1(O)CC1O;RCTDVVWKQKHLSV-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256929;MM256929;C=C(CO)CC1(O)CC1O;QFTAKWVSKXAIFO-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256930;MM256930;C=C(CC)CC1(O)CC1F;UARCVTNEOHKERN-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256931;MM256931;O=C(CF)CC1(O)CC1F;LDEQAXVXTKOJPF-UHFFFAOYSA-N;150.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256932;MM256932;C=C(CC)CC1(F)CC1C;AEFSBGYUNPUMCH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256933;MM256933;C=C(CN)CC1(F)CC1C;YZWGNSBDEODOLG-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256934;MM256934;C=C(CO)CC1(F)CC1C;WKKSCASQJFKWKB-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256935;MM256935;C=C(CF)CC1(F)CC1C;UOZGJFIPEFFTDS-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256936;MM256936;CCC(=O)CC1(F)CC1C;XIFBYYDZHQARKR-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256937;MM256937;CC1CC1(F)CC(=O)CO;KGDIFFZVXYQISG-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256938;MM256938;C=C(CC)CC1(F)CC1N;VCEACLDINOCUBQ-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256939;MM256939;C=C(CN)CC1(F)CC1N;SWZOSXSAIKRVMX-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256940;MM256940;C=C(CO)CC1(F)CC1N;UVXBCNZCFLBWPS-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256941;MM256941;C=C(CF)CC1(F)CC1N;LLEHECJIRVYESJ-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256942;MM256942;C=C(CC)CC1(F)CC1O;ZRDHLAXVOGDIKN-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256943;MM256943;C=C(CN)CC1(F)CC1O;JPVHYYZMYZAYFC-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256944;MM256944;CNC(=N)CC1(C)CC1C;AUTKEXJWVKOHRA-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256945;MM256945;CC1CC1(C)CC(=N)NN;HFACCBGBZJWZJN-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256946;MM256946;CC1CC1(C)CC(=N)NO;DWMVRJKITABNLR-UHFFFAOYSA-N;142.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256947;MM256947;N#CCCN1CC1CO;YLHLBIUKKSTYGD-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256948;MM256948;C#CCCN1CC1CO;BVVFNCURIUQEBR-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256949;MM256949;CC1CC1(C)CC(=O)NO;KLODSTBFJMQQGA-UHFFFAOYSA-N;143.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256950;MM256950;CNC(=N)CC1(C)CC1N;GZYDAEOLOVQJDZ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256951;MM256951;CC1(CC(=N)NO)CC1N;VRBINPZAUNOPIO-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256952;MM256952;CNC(=O)CC1(C)CC1N;JAMIVJLWNNGMGU-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256953;MM256953;CC1(CC(=O)NO)CC1N;YMYKQRDLEVBFOX-UHFFFAOYSA-N;144.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256954;MM256954;CNC(=N)CC1(C)CC1O;XWGNTLJDLPWITD-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256955;MM256955;CC1(CC(=N)NN)CC1O;XLAGGHHOZDZROH-UHFFFAOYSA-N;143.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256956;MM256956;CC1(CC(=N)NO)CC1O;UJTHMIZHANLTPG-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256957;MM256957;CNC(=O)CC1(C)CC1O;VGCFKWWKDXXPRF-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256958;MM256958;CC=CCN1CC1CO;UJLJMHDFXPXKRW-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256959;MM256959;CC1(CC(=O)NO)CC1O;VUZQOBVQROBVAH-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256960;MM256960;CNC(=N)CC1(C)CC1F;OHAFWJCIKVJHBI-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256961;MM256961;CC1(CC(=N)NN)CC1F;PFSPDHMMBRHKJH-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256962;MM256962;CC1(CC(=N)NO)CC1F;IJKSAFRGLSDZNM-UHFFFAOYSA-N;146.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256963;MM256963;CNC(=O)CC1(C)CC1F;UMKKQJBJNDNUQE-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256964;MM256964;CC1(CC(=O)NO)CC1F;URQYTHBBKPXQIW-UHFFFAOYSA-N;147.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256965;MM256965;CNC(=N)CC1(N)CC1C;BKXWQOOOMNPVCX-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256966;MM256966;CC1CC1(N)CC(=N)NO;RQZNPZJOBMZBKT-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256967;MM256967;CNC(=O)CC1(N)CC1C;QTCMPTOLXYKDLC-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256968;MM256968;CC1CC1(N)CC(=O)NO;FLMDAKQANVIECN-UHFFFAOYSA-N;144.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256969;MM256969;CNC(=N)CC1(N)CC1N;QVPBYUAWWSYOTQ-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256970;MM256970;CNC(=O)CC1(N)CC1N;KPFLGPHVXQKNEK-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256971;MM256971;N=C(CC1(N)CC1O)NO;ZPJGCKZAAJMMJM-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256972;MM256972;CNC(=O)CC1(N)CC1O;RHOASYCKZYZAMB-UHFFFAOYSA-N;144.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256973;MM256973;CNC(=N)CC1(O)CC1C;OJKWSNHFEZMUKH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256974;MM256974;CC1CC1(O)CC(=N)NN;NPIWFYHDBLZZJV-UHFFFAOYSA-N;143.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256975;MM256975;CC1CC1(O)CC(=N)NO;LRRLHFUYPRQXDB-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256976;MM256976;CNC(=O)CC1(O)CC1C;ZEWPNENYXYUWLO-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256977;MM256977;CC#CCN1CC1CO;MUXFZRTZZOTAGO-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256978;MM256978;CC1CC1(O)CC(=O)NO;ZGQCTZRVHTYSDL-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256979;MM256979;CNC(=N)CC1(O)CC1N;SLBGZEHOFAFVJM-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256980;MM256980;N=C(CC1(O)CC1N)NO;PDNPNPKJQZNVEU-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256981;MM256981;CNC(=O)CC1(O)CC1N;PYPANUCTNGUNRT-UHFFFAOYSA-N;144.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256982;MM256982;NC1CC1(O)CC(=O)NO;GYASQUUVKAWXDR-UHFFFAOYSA-N;146.15;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256983;MM256983;CNC(=O)CC1(O)CC1F;QTRRHPNSLKFELA-UHFFFAOYSA-N;147.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256984;MM256984;CNC(=N)CC1(F)CC1C;ZJZRYGZOBNGRIW-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256985;MM256985;CC1CC1(F)CC(=N)NN;XMETWHQTRCFFHT-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256986;MM256986;CC1CC1(F)CC(=N)NO;BBRUJXOOBAHNAP-UHFFFAOYSA-N;146.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256987;MM256987;CNC(=O)CC1(F)CC1C;YVCIPEWBAHZFHD-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256988;MM256988;CC1CC1N1CC1CO;SWRQFNAKJFPHKG-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256989;MM256989;CNC(=N)CC1(F)CC1N;MHOJOMQTIYGVBJ-UHFFFAOYSA-N;145.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256990;MM256990;C=C(CC1(C)CC1C)OC;XAMVKVJVMHKVKW-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256991;MM256991;COC(=O)CC1(C)CC1C;LOHURRYCXVJUAH-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256992;MM256992;C=C(CC1(C)CC1N)OC;UAELOQHLKRYJEZ-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256993;MM256993;COC(=O)CC1(C)CC1N;DKIGAZLUIDRZGW-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256994;MM256994;C=C(CC1(C)CC1O)OC;VOIXENFMQYFDOT-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256995;MM256995;C=C(CC1(C)CC1F)OC;KAISHYKEQTZGFK-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256996;MM256996;C=C(CC1(N)CC1C)OC;WPOZQZZWAYILAE-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256997;MM256997;COC(=O)CC1(N)CC1C;DUNBWINFNNDTQX-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256998;MM256998;C=C(CC1(N)CC1N)OC;OPHPCMBDZHCIMV-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM256999;MM256999;COC(=O)CC1(N)CC1N;GYWDKRYVCZYQDK-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257000;MM257000;C=C(CC1(N)CC1O)OC;ZJUOKOCGYVMZJA-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257001;MM257001;COC(=O)CC1(N)CC1O;JTGXXSMGXRLRKK-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257002;MM257002;C=C(CC1(O)CC1C)OC;XMDIJXURGKUZSC-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257003;MM257003;COC(=O)CC1(O)CC1C;XIFYLLMDDKTKQJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257004;MM257004;C=C(CC1(O)CC1N)OC;QUHRSNVRYAVHDY-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257005;MM257005;COC(=O)CC1(O)CC1N;GIJDRAJSPXLKMU-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257006;MM257006;COC(=O)CC1(O)CC1O;VDCUZOSZXPFQGX-UHFFFAOYSA-N;146.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257007;MM257007;C=C(CC1(F)CC1C)OC;LQPKLFFNWQZHRI-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257008;MM257008;COC(=O)CC1(F)CC1C;OEZXAAQJSAMSNB-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257009;MM257009;C=C(CC1(F)CC1N)OC;GAPHQBFKPOPJHL-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257010;MM257010;C=C(CC1(F)CC1O)OC;QKPBAKOSRPGULF-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257011;MM257011;CCC(=N)NC1(C)CC1C;PWNBDBXBKNPKJC-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257012;MM257012;CC1CC1(C)NC(=N)CN;IMWCNTFAGBDDAL-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257013;MM257013;CC1CC1(C)NC(=N)CO;BUAQJDVZOJNMKR-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257014;MM257014;OCC12CC3C(C1)N3C2;ZAABJFKSSBEHDA-UHFFFAOYSA-N;125.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257015;MM257015;CC1CC1(C)NC(=O)CO;IFRFMIGXSNBWPW-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257016;MM257016;CCC(=N)NC1(C)CC1N;YXXOHHZKSQEFGC-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257017;MM257017;CC1(NC(=N)CN)CC1N;GCVCBFFYEAKBPG-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257018;MM257018;CCC(=N)NC1(C)CC1O;FFIRUZLWLGRPBQ-UHFFFAOYSA-N;142.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257019;MM257019;CC1(NC(=N)CN)CC1O;ZMBUMKKASVDLPD-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257020;MM257020;CCC(=O)NC1(C)CC1O;SZIDCEGOCRNFCG-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257021;MM257021;CNC(=N)NC1(C)CC1C;UPJQQBVAQDZVDO-UHFFFAOYSA-N;141.22;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257022;MM257022;CC1CC1(C)NC(=N)NN;UGNKNWHKDPXEIS-UHFFFAOYSA-N;142.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257023;MM257023;CC1CC1(C)NC(=N)NO;GPENIHIQJQBQAU-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257024;MM257024;CC1CC1(C)NC(=O)NO;OEBNIRIFCVRHSF-UHFFFAOYSA-N;144.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257025;MM257025;CNC(=N)NC1(C)CC1N;XMURJWROFBKGKP-UHFFFAOYSA-N;142.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257026;MM257026;C#CC(=C)NC(=N)C(N)=O;SACUMRPWTQGHJT-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257027;MM257027;CC1(NC(=O)NO)CC1O;RSVBHCAQNYDXGN-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257028;MM257028;C=C(CC)OC1(C)CC1C;NXZSORXZQJBXAU-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257029;MM257029;C=C(CN)OC1(C)CC1C;ZMFBVWJXEXJQFA-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257030;MM257030;C=C(CO)OC1(C)CC1C;DPLBAPNTGURVAY-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257031;MM257031;C=C(CF)OC1(C)CC1C;UPMHKBUNPKZTIC-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257032;MM257032;CCC(=O)OC1(C)CC1C;DGJLFZVBFZQDHN-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257033;MM257033;CC1CC1(C)OC(=O)CO;NPJFFCFWLJJWSD-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257034;MM257034;CC1CC1(C)OC(=O)CF;SWEOUTLWINYJOT-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257035;MM257035;C=C(CC)OC1(C)CC1N;IWWBUGDRNIEDOL-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257036;MM257036;C=C(CF)OC1(C)CC1N;FSKPTKPODOFMQW-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257037;MM257037;CCC(=O)OC1(C)CC1N;NAKCWVKLLMTTQE-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257038;MM257038;CC1(OC(=O)CO)CC1N;UDSUSROGONUXMI-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257039;MM257039;C=C(CC)OC1(C)CC1O;VGBDZXWIUPRZFS-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257040;MM257040;CC1(OC(=O)CO)CC1O;WODCZNRCFVJIRF-UHFFFAOYSA-N;146.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257041;MM257041;CC1(OC(=O)CF)CC1O;PWIMYKPVEUFHDV-UHFFFAOYSA-N;148.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257042;MM257042;CNC(=N)OC1(C)CC1C;OYGWEKMHLIBINB-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257043;MM257043;CNC(=O)OC1(C)CC1C;KRYNKBOZDMRZAI-UHFFFAOYSA-N;143.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257044;MM257044;CON=C(C)CNC(N)=O;BCBIGHVJWALVIY-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257045;MM257045;CC1CC1(C)OC(=O)NO;OMLUGWZPIGYHDQ-UHFFFAOYSA-N;145.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257046;MM257046;CNC(=N)OC1(C)CC1N;GCTDURFRBHRONO-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257047;MM257047;CC1(OC(=N)NO)CC1N;QEOLLKHAUCRFEB-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257048;MM257048;CNC(=N)OC1(C)CC1F;ZSSISGWMQGXKLH-UHFFFAOYSA-N;146.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257049;MM257049;COC(=O)OC1(C)CC1C;TZQSMCULOVHGMU-UHFFFAOYSA-N;144.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257050;MM257050;COC(=O)OC1(C)CC1N;ZMEKBJOYAAAOHG-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257051;MM257051;COC(=O)OC1(C)CC1O;SYXIUEXHIBLINB-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257052;MM257052;C=C(CN)CC1(C)NC1C;UKYFPMXBJXQJGZ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257053;MM257053;CNC(=N)CC1(C)NC1C;GMUKSOWSZAYUKW-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257054;MM257054;CC1NC1(C)CC(=N)NN;XLYIHNXRWUQWGA-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257055;MM257055;C=C(CC)CC1(C)OC1C;YKCCXIHIMXWUMX-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257056;MM257056;C=C(CN)CC1(C)OC1C;GYFGQQMGBQBLGQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257057;MM257057;C=C(CO)CC1(C)OC1C;PSLQAXGPTUCCTD-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257058;MM257058;C=C(CF)CC1(C)OC1C;CMQKCEZWAWKENT-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257059;MM257059;CCC(=O)CC1(C)OC1C;BLKONNZHAYJRKM-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257060;MM257060;CC1OC1(C)CC(=O)CO;NIGSVAKWZKAAIU-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257061;MM257061;CC1OC1(C)CC(=O)CF;QBYSRZBOHYPGPC-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257062;MM257062;CNC(=N)CC1(C)OC1C;DUSGZJRKGWKHTO-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257063;MM257063;CC1OC1(C)CC(=N)NN;NZZJBANKBNDZDF-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257064;MM257064;CC1OC1(C)CC(=N)NO;SIYGCNDPEMGHFB-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257065;MM257065;CNC(=O)CC1(C)OC1C;AVLGEJGZFCPNIA-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257066;MM257066;CC(C)C=NNC(C)CO;FFVLXYXOFXTCKU-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257067;MM257067;CC1OC1(C)CC(=O)NO;ZMXMZWFIVBNOTA-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257068;MM257068;C=C(CC1(C)OC1C)OC;JJIGWTPCOUDNBA-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257069;MM257069;COC(=O)CC1(C)OC1C;AUOOWTILJRSVKB-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257070;MM257070;C=C(CN)CC1(C)CN1C;PNFLSAJJKHPIQR-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257071;MM257071;C=C(C)C=NNC(C)CO;IDCXPXMAFBUKMT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257072;MM257072;COCCNC(=O)C=NN;YYZLTTDUFRVKHC-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257073;MM257073;C#CCCNC(=O)C=NN;PGFNIEQMDFIECA-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257074;MM257074;CNC(=N)CC1(C)CN1C;IMYIWJZYZJACAT-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257075;MM257075;CN1CC1(C)CC(=N)NN;NVVCYCUJEZGMGU-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257076;MM257076;CN1CC1(C)CC(=N)NO;IRZOUEOUYMYWQN-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257077;MM257077;C#CCN(N)C(=O)NCC;VDSPBHGLYZOLRH-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257078;MM257078;C=CC(CF)C(=O)C(=N)N;CCWBRWRSQMNIMN-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257079;MM257079;COC(=O)CC1(C)CN1C;XAEYGDXYIJJJEQ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257080;MM257080;C=CC(=C)CC1(C)CC1C;QUWHCPORLMQXIR-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257081;MM257081;C=C(C=O)CC1(C)CC1C;UHWIPOJSSHANMZ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257082;MM257082;C=C(C#N)CC1(C)CC1C;BPCBAEKFBMUXAD-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257083;MM257083;C=CC(=O)CC1(C)CC1C;ZLYCRHDETKZGEK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257084;MM257084;CC1CC1(C)CC(=O)C=O;DSIXEJCZCSCNPL-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257085;MM257085;CC1CC1(C)CC(=O)C#N;YXGKAMQXGOUTCP-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257086;MM257086;C=CC(=C)CC1(C)CC1N;NGXPZJNIAMJPPS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257087;MM257087;CN(OCC=NN)C(N)=O;YDGRYLGRWWFAOY-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257088;MM257088;Cn1c(N)nc(=O)nc1N;CKSZQWWXWSNZND-UHFFFAOYSA-N;141.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257089;MM257089;C=CC(C)(CO)CC=NN;HTACROBLABNATQ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257090;MM257090;C=CC(=O)CC1(C)CC1O;DGOQJPNVUVDXJN-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257091;MM257091;CC1(CC(=O)C=O)CC1O;MKMNSQIRYOXULU-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257092;MM257092;CC1(CC(=O)C#N)CC1O;JJAQYRGEKLLROS-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257093;MM257093;C=CC(=C)CC1(C)CC1F;DTTYXIXZTCUFTL-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257094;MM257094;C=C(C=O)CC1(C)CC1F;OAMJLUQAXIZXAK-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257095;MM257095;C=C(C#N)CC1(C)CC1F;MKDYQSSNMRYSCZ-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257096;MM257096;CC1(CC(=O)C=O)CC1F;FLIZFVKZJHMACG-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257097;MM257097;CC1(CC(=O)C#N)CC1F;MFTPRXFGXQJYDI-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257098;MM257098;C=CC(=C)CC1(N)CC1C;RBAUWMLNPCJKQI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257099;MM257099;C=CC(=C)CC1(N)CC1N;VQSYKOSMISOVAU-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257100;MM257100;C=CC(=C)CC1(N)CC1O;DDRKSFIHNPGJMP-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257101;MM257101;C=CC(=C)CC1(N)CC1F;CVAWFQUFDBLFOS-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257102;MM257102;C=CC(CO)N1CC1(C)C;VJPRIPSIDXANKF-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257103;MM257103;C=C(C=O)CC1(O)CC1C;WNWGUYMEPXCJKU-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257104;MM257104;C=C(C#N)CC1(O)CC1C;XGLRQKDJRZJFJJ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257105;MM257105;C=CC(=O)CC1(O)CC1C;WRUPHOHZLRQMCR-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257106;MM257106;CC1CC1(O)CC(=O)C=O;PLXPJACGQVDSON-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257107;MM257107;CC1CC1(O)CC(=O)C#N;CLVRIRAYULXDJG-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257108;MM257108;C=CC(=C)CC1(O)CC1N;HLWGWFLOVFRKLS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257109;MM257109;C=C(C=O)CC1(O)CC1F;CPGGZVOJDJYPDE-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257110;MM257110;O=CC(=O)CC1(O)CC1F;XNGJGNBIPMJIAY-UHFFFAOYSA-N;146.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257111;MM257111;C=CC(=C)CC1(F)CC1C;VWCXGPFDPZYTRY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257112;MM257112;C=C(C=O)CC1(F)CC1C;RJDXXLKGEFWLPU-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257113;MM257113;C=C(C#N)CC1(F)CC1C;DTRDFSNJMOZVGR-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257114;MM257114;C=CC(=O)CC1(F)CC1C;KHPVBYBIPSOGSK-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257115;MM257115;CC1CC1(F)CC(=O)C=O;JDBMTYZLCKHDHP-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257116;MM257116;CC1CC1(F)CC(=O)C#N;ATBRWUKFGQDZCD-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257117;MM257117;C=CC(=C)CC1(F)CC1N;IJHLRSSIAAUIEQ-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257118;MM257118;C=CC(=C)CC1(F)CC1F;QHVJHHPVGYVKHT-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257119;MM257119;O=CC(=O)CC1(F)CC1F;FJTOWJQGVLUGNH-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257120;MM257120;C=CC(=N)NC1(C)CC1C;PXYOIKUHIDFTHL-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257121;MM257121;CC1CC1(C)N=C(N)C=O;BVJOUADJIPNWFS-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257122;MM257122;CC1CC1(C)NC(=N)C#N;LTNTYBHETBTEOW-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257123;MM257123;CC1CC1(C)NC(=O)C#N;XBOWGNYMUIRRRI-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257124;MM257124;C=CC(=O)NC1(C)CC1N;WPJBQXNPHHORPE-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257125;MM257125;C=C(C=NN(C)CC)CO;LLVPBHWANKPJDC-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257126;MM257126;CC1(NC(=O)C#N)CC1O;SVPBSFGJEIITPS-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257127;MM257127;C=CC(=C)OC1(C)CC1C;GZMZXPGPUZUHMH-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257128;MM257128;C=C(C#N)OC1(C)CC1C;JDJTVMHADRUFSF-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257129;MM257129;C=CC(=O)OC1(C)CC1C;BHUQTSFRHNKEEC-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257130;MM257130;CC1CC1(C)OC(=O)C=O;XIWIJRCRKGBEFC-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257131;MM257131;CC1CC1(C)OC(=O)C#N;GKBJHJHCGCDYPP-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257132;MM257132;C=CC(=C)OC1(C)CC1N;MPJQJSXYQAVJHU-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257133;MM257133;C=CC(=O)OC1(C)CC1N;CEZMXZKECXYBDA-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257134;MM257134;C=CC(=O)OC1(C)CC1O;BKRVTALSLLCLKC-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257135;MM257135;CC1(OC(=O)C=O)CC1O;HPIVHTCWVOTKAN-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257136;MM257136;CC1(OC(=O)C#N)CC1O;NFLHGINIXIDBOT-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257137;MM257137;CCC(C)=NNC(C)CO;DJJUEAQDMUWVMJ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257138;MM257138;C=CC(=C)CC1(C)OC1C;KSWFVFQKYNAVOZ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257139;MM257139;C=C(C=O)CC1(C)OC1C;OYEKAVYWOILYMB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257140;MM257140;C=C(C#N)CC1(C)OC1C;WFRBPQCROWCWSJ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257141;MM257141;C=CC(=O)CC1(C)OC1C;CWOAZAATSDZZSG-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257142;MM257142;CC1OC1(C)CC(=O)C=O;HXEOAVJNVQTRTN-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257143;MM257143;CC1OC1(C)CC(=O)C#N;BIEFNBDDLDEYLP-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257144;MM257144;C=C(C=O)CC1(C)CN1C;GNZVIVSUHUXECY-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257145;MM257145;C=C(C#N)CC1(C)CN1C;ZUYJMQOIZOTGTJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257146;MM257146;C=CC(C)=NNC(C)CO;MSOVSMFVKLRWHD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257147;MM257147;CC(C=O)=NNC(C)CO;LNKXBGAXXAFTCV-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257148;MM257148;C=NN1CCC(C)(CO)C1;RRPOAWKLGHJJJT-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257149;MM257149;C#CC(=C)CC1(C)CC1C;UMGFGTUTXUYGOO-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257150;MM257150;C#CC(=O)CC1(C)CC1C;SGWMYUBEBHWNNH-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257151;MM257151;C#CC(=C)CC1(C)CC1N;JTYARGHXKQNJBC-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257152;MM257152;C#CC(C=NN(C)C)CO;OTFDKKLWEIYXMF-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257153;MM257153;C#CC(=O)CC1(C)CC1O;HQFWYWUZOUTNCQ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257154;MM257154;C#CC(=C)CC1(C)CC1F;ZRTUEXRZOFPPGA-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257155;MM257155;C#CC(=O)CC1(C)CC1F;JVCFBCFDVNPDMI-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257156;MM257156;C#CC(=C)CC1(N)CC1C;RAGNJSLIKGVRPW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257157;MM257157;C#CC(=C)CC1(N)CC1N;LRSCYDFDQVZLNT-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257158;MM257158;C#CC(=C)CC1(N)CC1O;CQKHLOLTSSOOCE-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257159;MM257159;C#CC(=C)CC1(N)CC1F;BPBPYPNSKQCJDS-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257160;MM257160;C=NN(C)CC1(CO)CC1;JKUVSBHKWJWDNF-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257161;MM257161;C#CC(=O)CC1(O)CC1C;BYRWIMZLWVHZMZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257162;MM257162;C#CC(=C)CC1(O)CC1N;VCYOCXAARLXPOE-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257163;MM257163;C#CC(=C)CC1(F)CC1C;BIKAQWNZEIGGIG-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257164;MM257164;C#CC(=O)CC1(F)CC1C;UHEUXTJUPHDBCG-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257165;MM257165;C#CC(=C)CC1(F)CC1N;BIQNHWCERBUPPO-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257166;MM257166;C#CC(=C)CC1(F)CC1F;QLFTVUARQDLYIW-UHFFFAOYSA-N;142.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257167;MM257167;C#CC(=N)NC1(C)CC1C;AEVGSTWHBGSNIY-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257168;MM257168;C#CC(=O)NC1(C)CC1C;IIVIZSJFZIAFQA-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257169;MM257169;C#CC(=N)NC1(C)CC1N;GLOJOUFWOVWSKD-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257170;MM257170;C#CC(=O)NC1(C)CC1O;GROTXQKOXJTVNS-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257171;MM257171;C#CC(=O)NC1(C)CC1F;HCFUZLRGCDWRLG-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257172;MM257172;C#CC(=C)OC1(C)CC1C;UWEGNARTPADTMN-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257173;MM257173;C#CC(=O)OC1(C)CC1C;KGYZGTWOFHVBNJ-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257174;MM257174;C#CC(=C)OC1(C)CC1N;MNKZPMUBVFGLLO-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257175;MM257175;C#CC(=O)OC1(C)CC1N;XBRJEZCWSHEKIJ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257176;MM257176;C#CC(=O)OC1(C)CC1O;APPLUDKHXPRPKJ-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257177;MM257177;C#CC(=C)CC1(C)OC1C;GFKHMTPWQULXDJ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257178;MM257178;C#CC(=O)CC1(C)OC1C;OFDYQQFABFEHJQ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257179;MM257179;CC(C)(C#N)C1NC1CO;CMUNLZVMAGSALY-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257180;MM257180;CCC1CC(C)(C(C)C)C1;WISGEDISFJWLCN-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257181;MM257181;CC(C)C1(C)CC(CN)C1;NPKNFLPDYOLLKD-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257182;MM257182;C=CC(C)(C)N1CC1CO;OLMFTMMLCRVKSO-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257183;MM257183;CC(C)C1(C)CC(CF)C1;DLURCKVLVORJDJ-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257184;MM257184;CC(N)C1(C)CC(CN)C1;JLZDERCBMFOVQV-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257185;MM257185;CC(N)C1(C)CC(CO)C1;LGPITTGWYRRDRI-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257186;MM257186;CC(N)C1(C)CC(CF)C1;FNRSGZCTYBDKHN-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257187;MM257187;CC(O)C1(C)CC(CN)C1;UUEFKBIXZNHDGL-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257188;MM257188;C=NN1CC1C(C)(C)CO;BLZVQXGEVNPRMZ-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257189;MM257189;CCC1CC(N)(C(C)C)C1;HCTASYDRVZOBBH-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SN0";;;;;;;3.13;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257190;MM257190;CC(C)C1(N)CC(CO)C1;OYTBCOIWMSAZJW-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257191;MM257191;CC(C)C1(N)CC(CF)C1;ZJKOTHFNLOGNFI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257192;MM257192;CCC1CC(N)(C(C)N)C1;ZDKKGQXMHHRTAT-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257193;MM257193;CC(N)C1(N)CC(CN)C1;FVNZNYKJXMQRGR-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257194;MM257194;CC(CO)N(C)N(C)C=O;MORQRQXMZIKYAM-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257195;MM257195;CC(C)C1(O)CC(CN)C1;JTTMMQZFOPRUKJ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257196;MM257196;CC(C)C1(O)CC(CO)C1;QDOLPAFZKPMAKP-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257197;MM257197;CC(C)C1(O)CC(CF)C1;LLJCBYLZNPOPDA-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257198;MM257198;CC(N)C1(O)CC(CN)C1;KCLMKCAAZKFOJU-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257199;MM257199;CC(N)C1(O)CC(CF)C1;JQWGBLOTALHWHW-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257200;MM257200;CCC1CC(F)(C(C)C)C1;SIYDGSUBPBQOII-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257201;MM257201;CC(C)C1(F)CC(CN)C1;YKZCGAJQZCSAPW-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257202;MM257202;CC(C)C1(F)CC(CO)C1;NREZNIGZUYQUJO-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257203;MM257203;CC(C)C1(F)CC(CF)C1;YKMHQSKLFPPGOW-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257204;MM257204;CC(N)C1(F)CC(CO)C1;XEQPMRMGSFGQTK-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257205;MM257205;CNC1CC(C)(C(C)C)C1;PDNYMJJICMQOGV-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257206;MM257206;CNC1CC(C)(C(C)N)C1;VJGKAYRAUNVFNG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257207;MM257207;CNC1CC(N)(C(C)C)C1;MVIBITQLKSDCAP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257208;MM257208;CNC1CC(O)(C(C)C)C1;NBUBLIATZZBLTJ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257209;MM257209;CNC1CC(F)(C(C)C)C1;GXWAXNMDGZAHAH-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257210;MM257210;COC1CC(C)(C(C)C)C1;NWMBQOHOINEEEU-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257211;MM257211;COC1CC(C)(C(C)N)C1;ZPHCWJRCTLJCIH-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257212;MM257212;COC1CC(C)(C(C)O)C1;UGGXTKIGDMWGPN-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257213;MM257213;COC1CC(N)(C(C)C)C1;NWXHCEBOZUXJFI-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257214;MM257214;COC1CC(O)(C(C)C)C1;YSPARLJDSQYTSU-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257215;MM257215;COC1CC(O)(C(C)N)C1;LCFBXIXYORRKRH-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257216;MM257216;CC(C)C1(C)CC(CN)N1;KURNLUYVGYOULT-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257217;MM257217;CC(C)C1(C)CC(CO)N1;XNDQEPBNTZRMTR-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257218;MM257218;CC(C)C1(C)CC(CF)N1;RUDSXFIAECOQBZ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257219;MM257219;CC(C)C1(C)CC(CN)O1;KTMXJYFMGXCOGD-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257220;MM257220;CC(C)C1(C)CC(CO)O1;RBBCXQDINTUYEB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257221;MM257221;CCC1CC(C)(N(C)C)C1;CVXKNGDWUWAJRV-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257222;MM257222;CN(C)C1(C)CC(CN)C1;GRMPLJHSGNTDII-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257223;MM257223;CN(C)C1(C)CC(CO)C1;MPXFMNDJKYHBTC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257224;MM257224;CN(C)C1(C)CC(CF)C1;IPZGPEBCNQDAJX-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257225;MM257225;COC1CC(C)(N(C)C)C1;VDQOEIJYHDCOEO-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257226;MM257226;CCN1CC(C)(C(C)C)C1;AOZSPVHNCDHXHX-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257227;MM257227;CCN1CC(C)(C(C)N)C1;WCWXVDROTQHJSK-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257228;MM257228;CCN1CC(N)(C(C)C)C1;KPZBTJHIMKTFMG-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257229;MM257229;C=CC1CC(C)(C(C)C)C1;ZBNJTNAJKWNSBN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257230;MM257230;CC(C)C1(C)CC(C=O)C1;TWYYCHGAYORELJ-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257231;MM257231;CC(C)C1(C)CC(C#N)C1;QOWYQGZOCPEVGX-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257232;MM257232;C=CC1CC(C)(C(C)N)C1;HSZWDNJLNRDLON-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257233;MM257233;C=CCNC(=O)CON=C;VXRZLLQSYGJSND-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257234;MM257234;CC(C)C1(F)CC(C#N)C1;XVZFBTWGLFOXQR-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257235;MM257235;CC(C)C1(C)CC(C=O)N1;RCGYWYGJUBFNPP-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257236;MM257236;C=CC1CC(C)(C(C)C)O1;ZQCAJRBKPBWXJN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257237;MM257237;CC(C)C1(C)CC(C=O)O1;URLHKBGYBYFYIZ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257238;MM257238;CC(C)C1(C)CC(C#N)O1;KMARGDCQXDQRLV-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257239;MM257239;C=CC1CC(C)(N(C)C)C1;VLWMJJLBPJLWCO-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257240;MM257240;CN(C)C1(C)CC(C=O)C1;PHBYSMZDHJKECO-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257241;MM257241;CN(C)C1(C)CC(C#N)C1;LBDWYVFEKMIVAQ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257242;MM257242;CC(C)C1(C)CN(C=N)C1;HFIRZCZNHYCXFG-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257243;MM257243;CC(C)C1(C)CN(C=O)C1;BAKGUBGIDSKOPL-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257244;MM257244;CC(N)C1(C)CN(C=O)C1;LSXAKEUSGHVAGU-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257245;MM257245;CC(C)C1(N)CN(C=N)C1;BKBXYPSXUVVROG-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257246;MM257246;CC(C)C1(N)CN(C=O)C1;RFNAACXICCAZDL-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257247;MM257247;CC(N)C1(N)CN(C=N)C1;VUYQRQJBJPKRDU-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257248;MM257248;CC(N)C1(N)CN(C=O)C1;BGEWCNYZVSFDDU-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257249;MM257249;CC(C)C1(O)CN(C=N)C1;BUTWOFDZBLOKII-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257250;MM257250;CC(C)C1(O)CN(C=O)C1;KBOIZMPWNDGTPK-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257251;MM257251;CC(N)C1(O)CN(C=N)C1;DANQAOCNUVCBJI-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257252;MM257252;CC(N)C1(O)CN(C=O)C1;QNQOJWGZSPJMHF-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257253;MM257253;CC(C)C1(F)CN(C=N)C1;SRSPREJSLVYFDW-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257254;MM257254;CC(C)C1(F)CN(C=O)C1;LYWNMCGIWZZJLX-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257255;MM257255;CC(N)C1(F)CN(C=N)C1;MKXJLIGNQSPECA-UHFFFAOYSA-N;145.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257256;MM257256;C=NN1CC(C)(C(C)C)C1;YSYXQWDQQVBCGU-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257257;MM257257;CCCNC(=O)C(=N)NN;XZELSDSUTJTWRX-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257258;MM257258;C=NN1CC(N)(C(C)C)C1;DHOVVEVVIVUCBV-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257259;MM257259;C=NN1CC(N)(C(C)N)C1;LQESWUSOLSDFMD-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257260;MM257260;C=CCC=NNC(C)CO;VUIFZBAWUSWRLH-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257261;MM257261;C=NN1CC(O)(C(C)N)C1;ROMNGWITWIOVOJ-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257262;MM257262;C=NN1CC(F)(C(C)C)C1;VKSVSYIMRXHXRZ-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257263;MM257263;CN(C)C1(C)CN(C=N)C1;RXSUAZXYZYPPOH-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257264;MM257264;C#CC1CC(C)(C(C)C)C1;CBMNPOIEPFRBFC-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257265;MM257265;C#CC1CC(C)(C(C)N)C1;CPYHLIDWIBFJFZ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257266;MM257266;C#CC1CC(N)(C(C)C)C1;ZIGWGNBHNQVKMO-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257267;MM257267;C#CC1CC(N)(C(C)N)C1;VWUPXEDGNUFHKO-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257268;MM257268;C#CCC=NNC(C)CO;VTAIBUISONVCMV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257269;MM257269;C#CC1CC(F)(C(C)C)C1;JWTXSWKNRXPSFR-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257270;MM257270;C#CC1CC(C)(C(C)C)N1;DKWZFGVFNHJUJK-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257271;MM257271;C#CC1CC(C)(C(C)N)N1;XTHBLWZLDSNVCS-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257272;MM257272;C#CC1CC(C)(C(C)C)O1;ASDJEZYZXSAWPH-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257273;MM257273;C#CC1CC(C)(N(C)C)C1;FJNYJWASWANWJT-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257274;MM257274;C=C(C)C1(C)CC(CC)C1;TUCTYLSXKFZKMV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257275;MM257275;C=C(C)C1(C)CC(CN)C1;QCJDLUYWYMRSEK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257276;MM257276;CC(CO)NN=CC=CF;QWBIPERCWVBSFU-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257277;MM257277;C=C(C)C1(C)CC(CF)C1;QXUURXJWNFZRDQ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257278;MM257278;CC(C=NN=CNO)CO;XSSWGUDBXOUXJY-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257279;MM257279;CC1(C(=N)N)CC(CN)C1;DESWZCYZRHIESH-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257280;MM257280;C=C(C)C1(N)CC(CC)C1;OMGJVGDZQORNFL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257281;MM257281;C=C(C)C1(N)CC(CN)C1;KVEQZFFMDWJIIA-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257282;MM257282;C=C(C)C1(N)CC(CO)C1;PXZNJIHADYBVOD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257283;MM257283;C=C(C)C1(N)CC(CF)C1;LKKJKDYQTGFMHP-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257284;MM257284;CCC1CC(N)(C(=N)N)C1;DYSGHGQHXZHPDS-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257285;MM257285;N=C(N)C1(N)CC(CO)C1;VXFGBXKBAHHZJF-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257286;MM257286;CC1(CO)CC1NCC#N;QFOVQWCGISKSFG-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257287;MM257287;C=C(C)C1(O)CC(CN)C1;FJEHPRUCLIOSHZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257288;MM257288;C=C(C)C1(O)CC(CO)C1;XDNZINKJRFCSJY-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257289;MM257289;C=C(C)C1(O)CC(CF)C1;BGKBZPOZJBPLBI-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257290;MM257290;N=C(N)C1(O)CC(CN)C1;JZXQFWPLRPYBSL-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257291;MM257291;N=C(N)C1(O)CC(CO)C1;QHCNRHVFAJPNCI-UHFFFAOYSA-N;144.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257292;MM257292;N=C(N)C1(O)CC(CF)C1;ORBANHBVDSPTDL-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257293;MM257293;C=C(C)C1(F)CC(CC)C1;XELZHWHPZIZOQG-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257294;MM257294;C=C(C)C1(F)CC(CN)C1;AQJUTDKIIIVUJJ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257295;MM257295;C=C(C)C1(F)CC(CO)C1;OZPMBIDDTUXQHW-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257296;MM257296;C=C(C)C1(F)CC(CF)C1;GWWLBUHXMIBUCO-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257297;MM257297;C=C(C)C1(C)CC(NC)C1;XHDVIZMCQHVGNP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257298;MM257298;CNC1CC(C)(C(=N)N)C1;LQFZVZRKQSSFGO-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257299;MM257299;C=C(C)C1(N)CC(NC)C1;UBQPCPSCYYKRJL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257300;MM257300;C=C(C)C1(O)CC(NC)C1;CNPUBVWSHYJTQM-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257301;MM257301;C=C(C)C1(C)CC(OC)C1;XQBZASNTAWOXOT-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257302;MM257302;COC1CC(C)(C(=N)N)C1;VBSYARGJGJODRF-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257303;MM257303;C=C(C)C1(N)CC(OC)C1;NETIQRKKJLRFME-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257304;MM257304;C=C(C)C1(O)CC(OC)C1;IDEQNRVQEBTDON-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257305;MM257305;COC1CC(O)(C(=N)N)C1;OEKRLBFKVSBWCZ-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257306;MM257306;C=C(C)C1(F)CC(OC)C1;OOUBLYQKBOJOTD-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257307;MM257307;C=C(C)C1(C)CC(CC)N1;LMFYSRGRCHYMFC-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257308;MM257308;C=C(C)C1(C)CC(CN)N1;IETJSAUHFRMVED-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257309;MM257309;C=C(C)C1(C)CC(CO)N1;USHJFTJILDNWAT-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257310;MM257310;C=C(C)C1(C)CC(CF)N1;HBTURRYIAPMSDL-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257311;MM257311;CC(=O)C1(C)CC(CO)N1;MIUVEOHKUHYIEC-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257312;MM257312;CC1(C(=N)N)CC(CO)N1;XLSITDFFZIAELB-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257313;MM257313;C=C(C)C1(C)CC(CC)O1;VNKAOXYPOJBOBD-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257314;MM257314;C=C(C)C1(C)CC(CN)O1;VARGGJQKENSOBS-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257315;MM257315;C=C(C)C1(C)CC(CO)O1;ALSHAXLJHQCXCB-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257316;MM257316;C=C(C)C1(C)CC(CF)O1;QEKSJCOSSLBTMT-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257317;MM257317;C=C(C)C1(C)CN(CC)C1;DKWRJQBMQWZBRD-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257318;MM257318;C=C(C)C1(N)CN(CC)C1;RPNYNHSWOWHONA-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257319;MM257319;C=C(C)C1(F)CN(CC)C1;SMGUGFKEFDJPRP-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257320;MM257320;C=CC1CC(C)(C(=C)C)C1;SJNYNESMOPQTOT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257321;MM257321;C=C(C)C1(C)CC(C=O)C1;QWCDZODAKCQOGC-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257322;MM257322;C=C(C)C1(C)CC(C#N)C1;SRHPQBBSZAAYDZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257323;MM257323;CC(=O)C1(C)CC(C=O)C1;PJXVUYXBIYFXJK-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257324;MM257324;C=CC1CC(N)(C(=C)C)C1;OGNPMNBXLQTVRN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257325;MM257325;C=CC1CC(N)(C(=N)N)C1;HZXJORKKFMUPQC-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257326;MM257326;CC=NNC1CC1(C)CO;LOKVFDKAOQRLJM-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257327;MM257327;C=C(C)C1(O)CC(C=O)C1;RKXYPXRBXUVWSH-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257328;MM257328;C=C(C)C1(O)CC(C#N)C1;OUVAPZMDKHEMFB-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257329;MM257329;C=CC1CC(F)(C(=C)C)C1;LSIWCLQWURBZTQ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257330;MM257330;C=C(C)C1(F)CC(C=O)C1;OONLDWPTAQSDBC-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257331;MM257331;C=C(C)C1(F)CC(C#N)C1;MCJKEPUESCMNLB-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257332;MM257332;C=CC1CC(C)(C(=C)C)N1;HAWHYLIXKFDVKD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257333;MM257333;C=C(C)C1(C)CC(C#N)N1;IFEDZVDWHFGJLJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257334;MM257334;C=CC1CC(C)(C(=C)C)O1;OKVZGWIGDKVLEE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257335;MM257335;C=C(C)C1(C)CC(C#N)O1;USHVWYUUNGLCCY-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257336;MM257336;C=CC1CC(C)(C(=N)N)O1;CJHJKJYVAYKVSV-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257337;MM257337;CC1(C(=N)N)CC(C#N)O1;DEXSBFKFJPIWAH-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257338;MM257338;C=C(C)C1(C)CN(C=N)C1;NBABDEHZASQMEI-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257339;MM257339;C=C(C)C1(C)CN(C=O)C1;PKGLBHYSINTKFL-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257340;MM257340;CC1(C(=N)N)CN(C=N)C1;KBMYVCHEXJHKNW-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257341;MM257341;C=C(C)C1(N)CN(C=N)C1;KHFMIXRDDKVLNK-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257342;MM257342;C=C(C)C1(N)CN(C=O)C1;OQWUZWUQDYAZNJ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257343;MM257343;N=CN1CC(N)(C(=N)N)C1;WIRYKPXAEMKDBZ-UHFFFAOYSA-N;141.18;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257344;MM257344;C=C(C)C1(O)CN(C=N)C1;ILIFTWVMEOQONK-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257345;MM257345;C=C(C)C1(O)CN(C=O)C1;FOQZHSPTIKHABL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257346;MM257346;C=C(C)C1(F)CN(C=N)C1;XQDKVATVWKIJFE-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257347;MM257347;C=C(C)C1(F)CN(C=O)C1;HXDDXWGOFVLUHR-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257348;MM257348;C=NN1CC(C)(C(=C)C)C1;DUIYAQJCLYUVFS-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257349;MM257349;C=NN1CC(C)(C(=N)N)C1;CPAMFYJRQZGBJR-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257350;MM257350;C=NN1CC(N)(C(=N)N)C1;OFLOLOJFHHSSTN-UHFFFAOYSA-N;141.18;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257351;MM257351;CNC(=O)N(CC=O)NC;LHQOKLGCLPTXET-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257352;MM257352;C=NN1CC(O)(C(=N)N)C1;PCYSEYXMWJAKKT-UHFFFAOYSA-N;142.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257353;MM257353;C=NN1CC(F)(C(=C)C)C1;WVIDBCMXQITNER-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257354;MM257354;C#CC1CC(C)(C(=C)C)C1;XGOHFEZJXPGAEU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257355;MM257355;C#CC1CC(N)(C(=C)C)C1;STMARFOELLRRFU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257356;MM257356;C=CC(=NOC)C(=O)NC;WLHLQPZIWKXFDO-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257357;MM257357;C#CC1CC(F)(C(=C)C)C1;KBKQHDKHLPKGLG-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257358;MM257358;C#CC1CC(C)(C(=C)C)N1;HGESBPQFFJUQRT-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257359;MM257359;C#CC1CC(C)(C(=C)C)O1;RBFWBHLFMRBJKF-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257360;MM257360;CC(C)C1CC1(C)C(C)C;JQEHFYPOICXLSF-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257361;MM257361;CC12CC3(CO)CC1N2C3;CVADUWIMTCCSOZ-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257362;MM257362;CC(F)C1CC1(C)C(C)C;KTWJWUSSAITXAJ-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257363;MM257363;CC(C)C1CC1(C)C(C)N;IMJXGSBEHKKVIW-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257364;MM257364;CC(C)C1CC1(N)C(C)C;QOSJIACAKGNLLF-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257365;MM257365;CC(C)C1(C)CC1N(C)C;ATDCMAVVMSJPCM-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257366;MM257366;C=C(C)C1CC1(C)C(C)C;CYHFMUPFUUXVMV-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257367;MM257367;CC(=O)C1CC1(C)C(C)C;IAQVXBVGLGJYIR-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257368;MM257368;CC(C)C1(C)CC1C(=N)N;SOWIMDSDZJEVEX-UHFFFAOYSA-N;140.23;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257369;MM257369;N#CCNCC1(CO)CC1;BLEXEYRFRAAENK-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257370;MM257370;CC(C)C1(C)CC1C(=O)O;KUYXBNIFEDSVEP-UHFFFAOYSA-N;142.2;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257371;MM257371;C=C(F)C1CC1(C)C(C)C;AQKBBCCWYCKGLB-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257372;MM257372;CC(N)C1(C)CC1C(N)=O;XZPAHGGFYULOTL-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257373;MM257373;CC(=O)C1CC1(C)N(C)C;IVNRCRKJFJRFBJ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257374;MM257374;CN(C)C1(C)CC1C(N)=O;KRHZPPAUROFKHF-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257375;MM257375;C=C(F)C1CC1(C)N(C)C;CDLPPKVBSMDOQU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257376;MM257376;C=C(C)C1(C)CC1C(C)C;FFSREWFQRRPPJO-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257377;MM257377;C=C(C)C1(C)CC1C(C)N;DDBBFUZQPGPCDD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257378;MM257378;CC=NNCC1(CO)CC1;YDXVOBNJCTYQEL-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257379;MM257379;C=C(C)C1(C)CC1C(C)F;AGMMEVFPUVTIGH-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257380;MM257380;C=C(C)C1(N)CC1C(C)O;XTDGGZZNNYPWBC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257381;MM257381;C=C(C)C1(N)CC1C(C)F;RKPXFNUYIZMUTP-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257382;MM257382;Nn1ccc(CO)cc1=O;IQNACEGPNHIIMN-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257383;MM257383;C=C(C)C1(O)CC1C(C)O;UFVDPMLEYVKFRP-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257384;MM257384;C=C(C)C1(O)CC1C(C)F;QKNRUPWWBRNSQF-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257385;MM257385;C=C(C)C1(C)CC1N(C)C;VGYWHXDBRQEDOM-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257386;MM257386;C=C(C)C1(N)CC1N(C)C;SJXNHMMPZPAKIA-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257387;MM257387;C=C(C)C1(O)CC1N(C)C;SKJLKGDXFQUFJZ-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257388;MM257388;C=C(C)C1CC1(C)C(=C)C;GWVPUBRYCAATII-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257389;MM257389;C=C(C)C1(C)CC1C(C)=O;BCMSQFDOWTYHOB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257390;MM257390;C=C(C)C1(C)CC1C(=O)O;BGSHFZLVGCJRJC-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257391;MM257391;C=C(F)C1CC1(C)C(=C)C;XCKZWEJMSXMHPD-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257392;MM257392;CC(=O)C1CC1(C)C(C)=O;IYKMEDJJKOMNJL-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257393;MM257393;CC(=O)C1(C)CC1C(=N)N;DMQIBAQKOFRVBR-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257394;MM257394;CC(=O)C1(C)CC1C(N)=O;HJXJZKWJRRQTNF-UHFFFAOYSA-N;141.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257395;MM257395;C=C(F)C1CC1(C)C(C)=O;QTSWJKVWUDPKRC-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257396;MM257396;C=C(C)C1CC1(C)C(=N)N;YBFHVUWPHOSBDX-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257397;MM257397;CC1(C(=N)N)CC1C(=N)N;SWKXACPMMZCTCC-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257398;MM257398;CC1(C(=N)N)CC1C(N)=O;UPJARPJLAPZVOQ-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257399;MM257399;C=C(F)C1CC1(C)C(=N)N;QHCRGLXDNLNRDA-UHFFFAOYSA-N;142.18;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257400;MM257400;C=C(C)C1CC1(N)C(=C)C;JAJUZJGDVIWFMC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257401;MM257401;C=C(F)C1CC1(N)C(=C)C;MBPJYRWOGPDDJG-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257402;MM257402;C=C(F)C1CC1(N)C(=N)N;GKQUPIXJGYQYSD-UHFFFAOYSA-N;143.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257403;MM257403;C=C(C)C1(O)CC1C(=N)N;AVWDEMRIGYSRMA-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257404;MM257404;C=C(C)C1(O)CC1C(N)=O;MZUXHYQFGHQAJI-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257405;MM257405;N#CC(CC(=O)CF)=NO;QRJQRFZQVZHMQX-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257406;MM257406;C=C(F)C1CC1(O)C(=C)C;CGTXVPGTGKIKHS-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257407;MM257407;C=C(C)C1NC1(C)C(=C)C;GPSDMQNFJDVOGW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257408;MM257408;CC(C)CCC1(C)CC1C;CWFJUNGFRKWTDN-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257409;MM257409;CC(N)CCC1(C)CC1C;BSNZEZXTDHRBAJ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257410;MM257410;N#CC=C1NCC(CO)N1;KCHCOALBWDZPNL-UHFFFAOYSA-N;139.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257411;MM257411;CC(C)CCC1(C)CC1N;OQSODBFJSDVCPO-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257412;MM257412;CC(N)CCC1(C)CC1N;DQQKCBZIWFSQDV-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257413;MM257413;CCNc1cc(CF)[nH]n1;ZJQVCHZQRLJVIX-UHFFFAOYSA-N;143.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257414;MM257414;CC1CN1C1CC1(C)CO;VGPNFZKLYBRWOH-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257415;MM257415;CC(C)CCC1(N)CC1C;FHWHBTIVSNSCHI-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257416;MM257416;CC(N)CCC1(N)CC1C;PGJXMFVFIHCKDQ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257417;MM257417;CC(O)CCC1(N)CC1C;GXVGMELSENTXFW-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257418;MM257418;CCC1(CO)CC2CN2C1;JKZANDOCJNBFFU-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257419;MM257419;CC(N)CCC1(O)CC1C;SYIFOJPGMZSLLV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257420;MM257420;CC(O)CCC1(O)CC1C;NCESNKBQKILVFO-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257421;MM257421;CC(F)CCC1(O)CC1C;KNZDUMHCRUVMHD-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257422;MM257422;CC(C)CCC1(F)CC1C;GUBBDHIHVSOSBA-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257423;MM257423;CC(N)CCC1(F)CC1C;KCTGIMFPHSNNKJ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257424;MM257424;CC(C)CCC1(F)CC1N;QXMWOCSASUHFHO-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257425;MM257425;CC(C)CCC1(F)CC1O;YIDBQGJRXHHEQX-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257426;MM257426;OC1CC1(F)CCC(F)F;SONIUCUZKPJMBP-UHFFFAOYSA-N;154.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257427;MM257427;CC(C)NCC1(C)CC1C;MBBVLJZUHOJDEW-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257428;MM257428;CC(C)NCC1(N)CC1C;QGGRCYJJTCHEMK-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257429;MM257429;CC(C)NCC1(O)CC1C;OEQJRLUTCOGZLR-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257430;MM257430;CC(C)NCC1(F)CC1C;AOSDEUULFQGOJN-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257431;MM257431;CC(C)NCC1(F)CC1O;IRQRBMSYGXUCHN-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257432;MM257432;CC(C)OCC1(C)CC1C;SUUNYZCZDZUFRA-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257433;MM257433;CC(C)OCC1(N)CC1C;UJZBLUGAOLBWKO-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257434;MM257434;CC(C)CNC1(C)CC1C;WQPNNSBRAPXGEK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257435;MM257435;CC(C)CNC1(C)CC1N;WRYKUVSQLLMOBS-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257436;MM257436;CC1CC1(C)CCN(C)C;DWHBRWPSYBNJRM-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257437;MM257437;CN(C)CCC1(C)CC1N;UDDHKHWJGQRNEC-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257438;MM257438;CC1CC1(N)CCN(C)C;YOJRATIBSHIUGJ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257439;MM257439;CC1CC1(O)CCN(C)C;NQRNDRYHZWIAOE-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257440;MM257440;CC1CC1(F)CCN(C)C;KXZFCSXMLSHAAK-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257441;MM257441;CN(C)CCC1(F)CC1N;VQRURHDJNAQJCD-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257442;MM257442;C=C(C)CCC1(C)CC1C;JRDNWYPVXSDKPW-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257443;MM257443;CC(=O)CCC1(C)CC1C;ZBRQUPFDZWGRIY-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257444;MM257444;CC1CC1(C)CCC(=N)N;ZVPQGPCVNJQHPX-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257445;MM257445;N=c1cnccn1C(N)=O;TWIRTTJCQMZRNW-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257446;MM257446;CC1CC1(C)CCC(=O)O;YUTNVCBQMWDPLZ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257447;MM257447;C=C(F)CCC1(C)CC1C;PPHCYLGGSCDVGQ-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257448;MM257448;C=C(C)CCC1(C)CC1N;GEBZLQRHLITHRT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257449;MM257449;CC1(CCC(=N)N)CC1N;VDMLABJZVNHQLJ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257450;MM257450;CC1(CCC(N)=O)CC1N;YECBISAECWSVNI-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257451;MM257451;C=C(F)CCC1(C)CC1N;YGMRXVOHIOJVSV-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257452;MM257452;CCC(C#N)C1NC1CO;PUBHBGFKNPWZAI-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257453;MM257453;C=CC(CO)N1CC1CC;SNHTYNHJOTXYTK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257454;MM257454;C=C(C)CCC1(N)CC1C;OGWXHYBNIHOETC-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257455;MM257455;CC1CC1(N)CCC(=N)N;VNMRBSDAWLQMNW-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257456;MM257456;CC1CC1(N)CCC(N)=O;ISRUWUUAPCPAFD-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257457;MM257457;C=C(F)CCC1(N)CC1C;VJNZRVNGRNXIFN-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257458;MM257458;N=C(N)CCC1(N)CC1N;VJLDBWUGKYEBJB-UHFFFAOYSA-N;142.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257459;MM257459;C=CC(CC)N1CC1CO;YQDUKHJBITWWRS-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257460;MM257460;CC(=O)CCC1(O)CC1C;YNFHRDJRFPFVIY-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257461;MM257461;CC1CC1(O)CCC(=N)N;NVBQUETZNXRTEK-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257462;MM257462;CC(C)(CC(N)=O)C(=O)O;IBPSGJDBOYFNEM-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257463;MM257463;C=C(C)CCC1(O)CC1N;ABZRJRTYNCRUAT-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257464;MM257464;C=C(F)CCC1(O)CC1O;YCGTUOPKJXRDQE-UHFFFAOYSA-N;146.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257465;MM257465;C=C(C)CCC1(F)CC1C;UZVHGROQATXRSC-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257466;MM257466;CC(=O)CCC1(F)CC1C;OLNIWRSCIQAXGE-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257467;MM257467;CC1CC1(F)CCC(=N)N;LPCPCLSTDSIPCV-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257468;MM257468;C#CC(CF)N1CC1CO;MGVCDWMHUXQAQR-UHFFFAOYSA-N;143.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257469;MM257469;CC(=O)CCC1(F)CC1O;YSTRHFJWJBHNFE-UHFFFAOYSA-N;146.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257470;MM257470;CC(=N)NCC1(C)CC1C;WWEBIAHOCNWQOP-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257471;MM257471;C=CC(C#N)C1NC1CO;FCBMNKRKQADTNN-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257472;MM257472;CC1CC1(C)CNC(=N)N;FICDIHBFIPJUSS-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257473;MM257473;CC1CC1(C)CNC(N)=O;CYTHOBWXTDQVID-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257474;MM257474;CC(=O)NCC1(C)CC1N;PXWLMRHVVZGLRH-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257475;MM257475;CC(=O)NCC1(C)CC1O;XGJKIMXROXWLBR-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257476;MM257476;CC(=N)NCC1(N)CC1C;QYMXNLNQVBGDAM-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257477;MM257477;CC(=O)NCC1(N)CC1C;JUSNHBRTAKWVMP-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257478;MM257478;CC1CC1(N)CNC(=N)N;IPUWVRDVOXYORB-UHFFFAOYSA-N;142.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257479;MM257479;CC1CC1(N)CNC(N)=O;KPQZLUDNJATTFU-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257480;MM257480;CC(=O)NCC1(N)CC1N;BKUAMWOICAHTGA-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257481;MM257481;NC(=O)NCC1(N)CC1N;XNFNLZLCOOFIQC-UHFFFAOYSA-N;144.18;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P5";;;;;;;-3.08;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257482;MM257482;CC(=N)NCC1(O)CC1C;WPRJFZGENAYYAJ-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257483;MM257483;CC(=O)NCC1(O)CC1C;SERXVVXALQJLFO-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257484;MM257484;CC1CC1(O)CNC(=N)N;DOOOIUSZGQVRTK-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257485;MM257485;CC(=N)NCC1(F)CC1C;UPDICACHEMGSLE-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257486;MM257486;CC(=O)NCC1(F)CC1C;LONVAUSLKAICLZ-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257487;MM257487;CC1CC1(F)CNC(=N)N;PCFRUYXRVYYSRH-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257488;MM257488;CC1CC1(F)CNC(N)=O;IIUCYCPPCUUSSD-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257489;MM257489;C=C(C)OCC1(C)CC1C;JAWJTNIOBOGBMS-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257490;MM257490;CC(=O)OCC1(C)CC1C;CZHNTYRKHUJSDX-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257491;MM257491;CC1CC1(C)COC(=N)N;IKDOMKZMBCMUDG-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257492;MM257492;CC1CC1(C)COC(N)=O;AIPAUVWMJQAVRD-UHFFFAOYSA-N;143.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257493;MM257493;C=C(C)OCC1(C)CC1N;LCHPIMNHBFWBCJ-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257494;MM257494;C=C(C)OCC1(N)CC1C;XFXYKELYXRKIHK-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257495;MM257495;CC(=O)OCC1(N)CC1C;LJOODBJZCQXRDB-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257496;MM257496;CC1CC1(N)COC(=N)N;VUJKQQJBUCEMGZ-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257497;MM257497;C=C(C)OCC1(N)CC1N;LCGCWTGUVZQELY-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257498;MM257498;N=C(N)OCC1(N)CC1N;AGYFSZPDBOVJHM-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257499;MM257499;C=C(C)OCC1(O)CC1C;JKFGTIQWIQLBGN-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257500;MM257500;CC(=O)OCC1(O)CC1C;NWEFORIYRUGWHG-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257501;MM257501;CC1CC1(O)COC(=N)N;PNUWFVMKWXSEMI-UHFFFAOYSA-N;144.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257502;MM257502;CC1CC1(O)COC(N)=O;DWEGMCXMOWPPCJ-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257503;MM257503;C=C(C)OCC1(F)CC1C;ZEABRBKUWGYVDW-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257504;MM257504;CC(=O)OCC1(F)CC1C;FLNJFULQTPVCKP-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257505;MM257505;CC1CC1(F)COC(=N)N;OWPYHBBHJOGCAN-UHFFFAOYSA-N;146.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257506;MM257506;CC1CC1(F)COC(N)=O;QNWUZFIERKRFHR-UHFFFAOYSA-N;147.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257507;MM257507;CC1CC1(C)NCC(=N)N;WKVZYRBUYLIUBC-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257508;MM257508;C=CC(C=C)N1CC1CO;TYGHTIBVLRIAPD-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257509;MM257509;C=CC(C=O)N1CC1CO;PUJNGZICNLNUBO-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257510;MM257510;CC(=O)NCC1(C)OC1C;DSVDCOKSQVUOCX-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257511;MM257511;C=C(C)OCC1(C)OC1C;TVTXAUPHHKAPIT-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257512;MM257512;CC(=O)OCC1(C)OC1C;IISQQMCUFDWILI-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257513;MM257513;CC1OC1(C)COC(N)=O;SEXOZDRTKHGHIO-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257514;MM257514;CC(=O)OCC1(C)CN1C;DVSQHIRVGTUXSM-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257515;MM257515;CC(C)C1(O)CCC(F)C1;LFLIBJLUUMQOOJ-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257516;MM257516;CC1CC(C)(N(C)C)CO1;ISVRDLZXKYITHQ-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257517;MM257517;CN1CCC(C)(N(C)C)C1;KMAOIEARNCNUNE-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257518;MM257518;C#CC(C=C)N1CC1CO;PWVZKHQTOCIFIJ-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257519;MM257519;C=C(C)C1(F)CCC(C)C1;NXGORQQCSKZKGZ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257520;MM257520;C=C(C)C1(F)CCC(O)C1;XFHRYXRNCQMQRY-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257521;MM257521;C=C(C)C1(O)CCN(C)C1;SXKCJVUDVRHPFC-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257522;MM257522;CC(C)C1(O)CCC(=O)C1;RRJICOFCYJNXCU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257523;MM257523;C=C1CCC(C)(C(=C)C)C1;NUNGFTOXOIKOHO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257524;MM257524;C#CC(C=O)N1CC1CO;FYNXOXUFASMXOT-UHFFFAOYSA-N;139.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257525;MM257525;C=C(C)C1(O)CCC(=O)C1;CLGWASPDIBOUFQ-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257526;MM257526;C=C(C)C1(N)CC=C(C)C1;HDCDJEIMAQJTDM-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257527;MM257527;C=C(C)C1(F)CC=C(C)C1;BVEYVHYVORPJHD-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257528;MM257528;CC1C(C)(C)C1(C)CCN;GZQVUEJHDGPXQE-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257529;MM257529;CCC(C)(C)C1(F)COC1;RJKMBTOOUKKOLW-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257530;MM257530;CC(N)CCCC(C)CN;QRUPFRPVZVXDNZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257531;MM257531;CC(N)CCCC(C)CO;RGCLFUHILMERSL-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257532;MM257532;CC(N)CCCC(C)CF;XHKQGSUAZPMDRC-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257533;MM257533;CC(O)CCCC(C)CN;QZSWBTWTEWJUEE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257534;MM257534;C#CC(C#C)C1NC1CO;AKCODYOLHRJELQ-UHFFFAOYSA-N;135.17;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257535;MM257535;CC(CN)CCCC(F)F;IVSFQPZLMYGCNF-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257536;MM257536;CC(CF)CCCC(F)F;AOJTVWHVHKMOKJ-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257537;MM257537;CC(C)CCCC(N)CN;ODWCZJOJPPCVHT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257538;MM257538;CCC(N)CCCC(C)N;RMWNKQNPJOKUNI-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257539;MM257539;CC(N)CCCC(N)CN;ZPPMIRCHJYWMHO-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257540;MM257540;CC(N)CCCC(N)CO;IWKWGWXUPNFIGI-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257541;MM257541;CC(N)CCCC(N)CF;XZRGUTWHCYPTHO-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257542;MM257542;CCC(N)CCCC(C)O;ZOGNODKUADELAY-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257543;MM257543;CC(O)CCCC(N)CN;WQVHZILWVWPERE-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257544;MM257544;CC(O)CCCC(N)CO;OJMTXCFRQKEXRU-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257545;MM257545;CC(O)CCCC(N)CF;WNKUNKWHFPWFDX-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257546;MM257546;NCC(N)CCCC(F)F;TYLSOQRBIVFELR-UHFFFAOYSA-N;152.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257547;MM257547;C#CC(C#C)N1CC1CO;YYFIWETXTJIMHH-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257548;MM257548;CCC(O)CCCC(C)N;XVJDQMSNCZNNJB-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257549;MM257549;CC(N)CCCC(O)CO;IBCSALYFNNKXMV-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257550;MM257550;C=CC(CO)N1CC1C=C;YQYTUQWIRWEIPS-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257551;MM257551;CC(O)CCCC(O)CN;RZCZZXQAXKBYQW-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257552;MM257552;CC(O)CCCC(O)CO;JLNBMESXSVZYNQ-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257553;MM257553;CC=CC(C)N1CC1CO;BPSZNGGRSLMWHM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257554;MM257554;CC#CC(C)N1CC1CO;IEHCYKOGYPUROW-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257555;MM257555;CCC(F)CCCC(C)N;KTWBMUYPHSGJCR-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257556;MM257556;O=CCNN=COCCO;NTRSLJNEGAHBHC-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257557;MM257557;CC(O)CCCC(F)CO;NUGHQQLVCRAQQK-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257558;MM257558;C=CC=CCN1CC1CO;GWUFNETXJODCIX-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257559;MM257559;CCC(F)CCCC(C)F;FYZBJAGDZNKHGM-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257560;MM257560;CC(F)CCCC(F)CF;NHGSWMAFOZLYNC-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257561;MM257561;NCC(F)CCCC(F)F;SDODUOZSMIOAPK-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257562;MM257562;FCC(F)CCCC(F)F;ZDXWGIYKPCBIAX-UHFFFAOYSA-N;158.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257563;MM257563;CNC(C)CCCC(C)C;KYMRGVJAIFPUPQ-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257564;MM257564;CNC(C)CCCC(C)N;HYRSUWXXMNWSFO-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257565;MM257565;CNC(C)CCCC(C)O;UDCMAOYTSCNTPJ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257566;MM257566;CNC(C)CCCC(F)F;KJDXVQOPTAOSGL-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257567;MM257567;CC(C)CNCC(C)CN;DUAOCTXGBRHHSF-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257568;MM257568;CC(N)CNCC(C)CF;PAEUCOVTAYUMBV-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257569;MM257569;CC(F)CNCC(C)CF;MZRLIZPTIKWGKF-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257570;MM257570;CCC(N)CNCC(C)C;VKEIEVAUMUIJJA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257571;MM257571;CC(F)CNCC(N)CF;ALMCBTCTJASGCZ-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257572;MM257572;CCC(N)CNCC(F)F;LHZBOMGZSDSEIN-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257573;MM257573;CCC(O)CNCC(C)C;QNKCMZKLIVAQLO-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257574;MM257574;CCC(O)CNCC(C)O;VXACYDQJTBOEIB-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257575;MM257575;CCC(F)CNCC(C)C;BFSMPVFQOLBYFO-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257576;MM257576;CC(F)CNCC(F)CN;NKIPOAAOHWBFSQ-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257577;MM257577;CCC(F)CNCC(F)F;PDIKMULKQOQKFH-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257578;MM257578;CNC(C)CNCC(C)C;BYQQJQBAUHUNQX-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257579;MM257579;CNC(C)CNCC(F)F;LHVSNIWWEFZQDV-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257580;MM257580;COC(C)CNCC(C)N;VRGGHHNCSLNJTG-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257581;MM257581;COC(C)CNCC(C)O;OHICXWSYBXFDSI-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257582;MM257582;CC(C)COCC(C)CN;REMJFGQFHAQYKC-UHFFFAOYSA-N;145.25;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257583;MM257583;CC(O)COCC(C)CO;JKGNQAAPYMKHAE-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257584;MM257584;CC(F)COCC(C)CN;DHBLNJMHSLLQDE-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257585;MM257585;CC(C)COCC(N)CN;FPKKJOODOHQYIP-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257586;MM257586;CC(C)COCC(N)CF;MQUBHORHSLCJBD-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257587;MM257587;CC(O)COCC(N)CO;FNVSTWBPPPQURL-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257588;MM257588;CCC(N)COCC(C)F;GIUDJBOKUBRGCP-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257589;MM257589;CC(F)COCC(N)CF;NWXYOMJEPPZVNK-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257590;MM257590;CC(N)COCC(O)CO;RHYWGUPRQNJIBR-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257591;MM257591;CC(O)COCC(O)CO;WQYPVEKEHDLOBS-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257592;MM257592;CC(O)COCC(O)CF;ANSGCEULKSUOAI-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257593;MM257593;CCC(O)COCC(F)F;AXRQTVGUOLPEFA-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257594;MM257594;CC(C)COCC(F)CN;FAYQFCCZNKIZAL-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257595;MM257595;CC(N)COCC(F)CO;MWQKFDWSULVILF-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257596;MM257596;CC(O)COCC(F)CN;PDOPNCYUTOCUKI-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257597;MM257597;CC(O)COCC(F)CO;MXRZBCSXIHXBAU-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257598;MM257598;CC(F)COCC(F)CN;GMDRLVSHHHZRDG-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257599;MM257599;CNC(C)COCC(C)F;HOYZCORDLNVLRD-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257600;MM257600;COC(C)COCC(C)N;JJFWKCHUZOWJRZ-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257601;MM257601;CC(CN)CCNC(C)C;BCUBIHYDYNMFTE-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257602;MM257602;CC(CF)CCNC(C)C;WCZJIGPDDCMBDX-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257603;MM257603;CCC(N)CCNC(C)C;NFZOCXAJDABCHE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257604;MM257604;CCC(O)CCNC(C)C;ADXFBNMRRIHDMP-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257605;MM257605;CC(C)NCCC(O)CN;ZRZDSPYLIYMPOD-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257606;MM257606;CC(C)NCCC(O)CO;VBYIGEGDFKPGPZ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257607;MM257607;CC(C)NCCC(F)CO;HKOBROBNHDEURQ-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257608;MM257608;CC(C)NCCC(F)CF;HDFXEBHDOKCYBE-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257609;MM257609;CNC(C)CCNC(C)C;GIDGEIHYOORGLW-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257610;MM257610;CC(C)OCCC(N)CN;HEPAGQXDHKXOKQ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257611;MM257611;CC(C)OCCC(N)CF;PMQQAKHIQQPNRC-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257612;MM257612;CC(C)OCCC(O)CN;MATLYMFKXAZGBV-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257613;MM257613;CC(C)OCCC(F)CN;KCMYVOSRWLLARQ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257614;MM257614;CC(C)CCNC(C)CN;AVWRQGZVNXGJOK-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257615;MM257615;CC(C)CCNC(C)CF;KFVRMEHHAFPYOJ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257616;MM257616;CCC(C)NCCC(C)O;NCXYACRMQDLWMX-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257617;MM257617;CC(F)CCNC(C)CF;BPABRTXGVVAOCE-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257618;MM257618;CC(O)CCOC(C)CO;BPPFJQUGZBXERR-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257619;MM257619;CC(CO)OCCC(F)F;KHFSEXFALVMCHK-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257620;MM257620;CN(C)CCCC(N)CF;ZZOZNRFTRUHGOJ-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257621;MM257621;CN(C)CCCC(O)CO;NGHKTBASBMSUTB-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257622;MM257622;CCC(C)OCCN(C)C;JZQYPRNDEDVCFD-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257623;MM257623;CC(CN)OCCN(C)C;KVIQVLORHAXLQG-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257624;MM257624;CC(CO)OCCN(C)C;NUIVSFRZJNALKC-UHFFFAOYSA-N;147.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257625;MM257625;CCN(C)CCCC(C)O;MSERCLKLCXDQKH-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257626;MM257626;CCN(C)CCCC(C)F;SIZICNZUBMCJKS-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257627;MM257627;CCN(C)CCNC(C)C;MLQNEDHOAKZIAD-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257628;MM257628;O=CC=CCN1CC1CO;ZHRMIRZQPLCFHA-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257629;MM257629;C=CC(C)CCCC(F)F;AZDSPPHHRKJJMI-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257630;MM257630;CC(C=O)CCCC(F)F;MTMMQVYVKJNYKI-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257631;MM257631;C=CC(N)CCCC(C)O;DKOHLABLGZBUPR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257632;MM257632;C=CC(N)CCCC(C)F;SJQONBSHGTZKIC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257633;MM257633;C=CC(N)CCCC(F)F;FHRQGEVBXIXKJX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257634;MM257634;CC(C)CCCC(O)C=O;ZWNWWCMEXXBMDK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257635;MM257635;C=CC(O)CCCC(C)N;FAQZWGWCLJMJQG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257636;MM257636;CC(F)CCCC(O)C#N;FLHOPWXRHIMTGQ-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257637;MM257637;C#CC=CCN1CC1CO;RPOCJCNEWVTLPF-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257638;MM257638;CC(F)CCCC(F)C#N;XRXQAEDWBAMPCB-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257639;MM257639;C=CC(C)CNCC(C)C;XDIGWHRBHPIGEI-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257640;MM257640;CC(C)CNCC(C)C=O;BEKYBXYNQOJNGX-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257641;MM257641;C=CC(C)CNCC(C)F;JUFKWCYEMXAONA-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257642;MM257642;CC(F)CNCC(C)C=O;QKYNKKMHGFZUGK-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257643;MM257643;C=CC(N)CNCC(C)C;QUBMUOPBGAOXTJ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257644;MM257644;C=CC(N)CNCC(C)F;GUMJGCXILWTHMV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257645;MM257645;C=CC(O)CNCC(C)C;YREPKPJCLMVEFA-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257646;MM257646;C=CC(O)CNCC(C)N;JVXYGRKVALQGFB-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257647;MM257647;C=CC#CCN1CC1CO;CAZXLFPQJIEHQI-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257648;MM257648;CC(F)COCC(C)C=O;OMFGITTWNGUPTI-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257649;MM257649;CC(F)COCC(C)C#N;HBFMMSBUOPYBBR-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257650;MM257650;CC(C=O)COCC(F)F;YYYIPBOVFXVPEW-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257651;MM257651;C=CC(N)COCC(F)F;PJKAVGICHJWCSP-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257652;MM257652;CC(C)COCC(O)C#N;NYWSSONVHOUQGN-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257653;MM257653;CC(O)COCC(O)C#N;NFURSXMOZFYKQQ-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257654;MM257654;C=CC(O)COCC(C)F;AGDDWXWRTVMZKX-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257655;MM257655;CC(F)COCC(O)C=O;LWAULVQCAKCNMK-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257656;MM257656;CC(F)COCC(O)C#N;HLJIPVZXYFGGMW-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257657;MM257657;O=CC(O)COCC(F)F;YFFIVAFTEMRODH-UHFFFAOYSA-N;154.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257658;MM257658;CC(F)COCC(F)C#N;UWTVLMOTMYJTOO-UHFFFAOYSA-N;149.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257659;MM257659;O=CC(F)COCC(F)F;YULZEDAAXHUKQG-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257660;MM257660;C=CC(C)CCNC(C)C;ATXZHRMBAOQRLC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257661;MM257661;CC(C=O)CCNC(C)C;UWCCRUPNEKDDBE-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257662;MM257662;C=CC(O)CCNC(C)C;PRRPMPSQGJMWKP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257663;MM257663;CC(C)NCCC(O)C=O;ONERKOBYKPHPNJ-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257664;MM257664;CC(C)NCCC(O)C#N;MWHYWZXROYXLHB-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257665;MM257665;CC(C)NCCC(F)C#N;SSCJDXIFDFDJPA-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257666;MM257666;C=CC(O)CCOC(C)C;PBGZLWKWNHPPHX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257667;MM257667;C=CC(C)NCCC(C)O;FUYCTMSDTKHNJQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257668;MM257668;C=CC(C)NCCC(C)F;ZPRRQQHXDGYTMX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257669;MM257669;C=CC(C)NCCC(F)F;OUEMANCBANPWIR-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257670;MM257670;CC(O)CCOC(C)C=O;CGLYTFHIPLKTIU-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257671;MM257671;CC(C)OCOC(C)C#N;NXUMGDHQJJOWEA-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257672;MM257672;CC(C#N)CCCN(C)C;OBAUILTUUPRSSZ-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257673;MM257673;C=CC(O)CCCN(C)C;KWIJFINCTQHORO-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257674;MM257674;CN(C)CCCC(O)C=O;DXLAYGSCSWLEBN-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257675;MM257675;CN(C)CCCC(O)C#N;XGIKLYWBJBQIMQ-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257676;MM257676;CN(C)CCCC(F)C#N;XMKWVDIROHVZJN-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257677;MM257677;C=CC(C)OCCN(C)C;XGOAAQWOBSSOSH-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257678;MM257678;CC(C)CCCN(C)C=O;LLCLTHPOLLKHEW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257679;MM257679;CC(N)CCCN(C)C=O;QPIPNSDROZGDJQ-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257680;MM257680;CC(O)CCCN(C)C=O;NJPLROGYRLPCDH-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257681;MM257681;CC(C)CCCN(N)C=O;SECYOCSXVSQROC-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257682;MM257682;NN(C=O)CCCC(F)F;GESWPLGUFAJWEE-UHFFFAOYSA-N;152.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257683;MM257683;CC(C)CCCN(O)C=O;KXVDILIHBQLWSC-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257684;MM257684;CC(N)CCCN(O)C=O;SXUPDGMVDICMBK-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257685;MM257685;CC(O)CCCN(O)C=N;JQKRQYXQMHTNIJ-UHFFFAOYSA-N;146.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257686;MM257686;C=NN(C)CCCC(C)F;AGGQFFDJRHMPIG-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257687;MM257687;CC(C)NCCN(C)C=N;NAQGDPBIHHISTM-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257688;MM257688;CC(C)NCCN(N)C=N;TYOIAFVBMSCQAY-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257689;MM257689;CC(C)NCCN(N)C=O;KRVJEPWKHMQGEJ-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257690;MM257690;CC(C)OCCN(N)C=O;BSCLLKGVRXFJHU-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257691;MM257691;CC(C)CCNN(C)C=O;QUEUQQHNFWFSJX-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257692;MM257692;CC(O)CCNN(C)C=N;OIDNDSCMKIELSX-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257693;MM257693;CN(C=N)NCCC(F)F;GSEWJMIAHFQXSJ-UHFFFAOYSA-N;151.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257694;MM257694;CC(O)CCON(C)C=N;UQBRAXVAPLMUJI-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257695;MM257695;CC(O)CCON(C)C=O;VIYDUYUMAMESQW-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257696;MM257696;CC(F)CCON(C)C=N;MATRVTCKPMJMKB-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257697;MM257697;CN(C)CCCN(C)C=N;XIRHIZZPSUSSNI-UHFFFAOYSA-N;143.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257698;MM257698;CN(C)CCCN(C)C=O;BLSJYVZYIBCLCI-UHFFFAOYSA-N;144.22;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257699;MM257699;C#CC(N)CCCC(F)F;VHCMHPSSHUMBEU-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257700;MM257700;C#CC(O)CCCC(F)F;DTHUDPQFXWBUBP-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257701;MM257701;C#CC(F)CCCC(C)N;NPAXKMOBAWRJFH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257702;MM257702;C#CC(C)CNCC(C)C;ZCMXZAJNYKWPLH-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257703;MM257703;C#CC(N)CNCC(C)C;VKMBRYSPXIRFRU-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257704;MM257704;C#CC(N)CNCC(C)F;IRDLCRQSGMDKFE-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257705;MM257705;C#CC(O)CNCC(C)C;DQCJADIORDFFHW-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257706;MM257706;C#CC(F)CNCC(C)C;UOKYNSZJVQCKAL-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257707;MM257707;C#CC(F)CNCC(F)F;RYTCZPVSQOLUJY-UHFFFAOYSA-N;151.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257708;MM257708;C#CC(N)COCC(C)C;KCELMQSUKOHTOU-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257709;MM257709;C#CC(N)COCC(C)N;HUXBAGFRJPABDG-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257710;MM257710;C#CC(N)COCC(C)O;NGEIGOBMMKKEBE-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257711;MM257711;C#CC(N)COCC(C)F;VHVQBZOCTXMCDY-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257712;MM257712;C#CC(O)COCC(C)N;GKIHXRCRNYETFG-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257713;MM257713;C#CC(O)COCC(C)O;ADOASXWVTHJZHC-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257714;MM257714;C#CC(O)COCC(F)F;OJTAIEMZXOYAPZ-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257715;MM257715;C#CC(C)CCNC(C)C;WGKOKEYPDLKNGE-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257716;MM257716;C#CC(C)NCCC(C)O;OQWQPKHFGHRFHS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257717;MM257717;C#CC(C)NCCC(C)F;LEEVOVBCKCGXPX-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257718;MM257718;C#CC(C)NCCC(F)F;OCCAZTXOLZPQGB-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257719;MM257719;C#CC(C)OCCN(C)C;DQVLNRNDSWZJMM-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257720;MM257720;CC(CN)CCCC(=N)N;XPVIKUHDULTMKI-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257721;MM257721;CC(CF)CCCC(=N)N;MZCSDOIXBMETNL-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257722;MM257722;C#CC#CCN1CC1CO;VXUNADXJSFTDJJ-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257723;MM257723;CC(CN)CCCC(N)=O;PKMDLLYKNSQEJV-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257724;MM257724;CCC12C=CC(CO)N1C2;VSYCFWOJIDJAME-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257725;MM257725;C#Cc1oncc1O;ARKHUBBYQZKUDB-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257726;MM257726;CC(CF)CCCC(=O)O;FOZXFTRJJYJKPE-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257727;MM257727;N=C(N)CCCC(N)CF;SXICRGWVQWCSRJ-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257728;MM257728;NC(=O)CCCC(N)CO;BPVMGZLGOZHKNW-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257729;MM257729;NC(=O)CCCC(N)CF;BMAJXGDTMDIRFL-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257730;MM257730;C=C(C)CCCC(O)CF;RCJAZWIABAKOQS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257731;MM257731;CC(=O)CCCC(O)CF;JTAQVPZVPYYTNM-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257732;MM257732;O=CC12C=CC(CO)N1C2;QTGDGQCNGIHRTO-UHFFFAOYSA-N;139.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257733;MM257733;NCC(O)CCCC(N)=O;KTNROFRGOYUJQN-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257734;MM257734;NC(=O)CCCC(O)CF;PHTRZEHDTYABDX-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257735;MM257735;CCC(F)CCCC(=N)N;ZNYNYKVBJLTHQL-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257736;MM257736;N=C(N)CCCC(F)CN;FSWIOPHAZXNXBH-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257737;MM257737;NCC(F)CCCC(N)=O;AMOKXLTXGVMAIF-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257738;MM257738;CCC(F)CCCC(=O)O;RVXRNVIUAVBQLO-UHFFFAOYSA-N;148.18;1.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257739;MM257739;O=C(O)CCCC(F)CF;HULHBANITQBGQI-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257740;MM257740;C=C(F)CCCC(F)CN;YONGZBDIPGVZPH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257741;MM257741;C=C(F)CCCC(C)NC;UFEJTSXRINEGMG-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257742;MM257742;C=C(C)CNCC(C)CC;UFXPFSASLLSBBT-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257743;MM257743;C=C(C)CNCC(C)CF;KGIQAIOPWYKRTJ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257744;MM257744;CCC(C)CNCC(C)=O;NASLLOZJHFNVJJ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257745;MM257745;CC(=O)CNCC(C)CF;JIWRJYHVYUUJIV-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257746;MM257746;CCC(C)CNCC(=N)N;DVPVRBGYORZTNC-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257747;MM257747;CCC(C)CNCC(N)=O;FVQYGBJSQSNETC-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257748;MM257748;CC(CF)CNCC(N)=O;PTNNBTZKXJTAHJ-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257749;MM257749;C=C(C)CNCC(N)CN;CGRLDUMVVIVCTD-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257750;MM257750;C=C(C)CNCC(N)CO;LJYMQTNYCKKRTP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257751;MM257751;C=C(C)CNCC(N)CF;BFLLQTBRWJUSJP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257752;MM257752;N=C(N)CNCC(N)CN;VRCINVNZVNSXDC-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257753;MM257753;N=C(N)CNCC(N)CO;XARKLNXKQIZSMF-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257754;MM257754;NCC(N)CNCC(N)=O;XSOVRJDQZQPZBU-UHFFFAOYSA-N;146.19;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257755;MM257755;C=C(C)CNCC(O)CN;FMQDHJHQVWDGHB-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257756;MM257756;C=C(C)CNCC(O)CO;RYKLCSFVFPQJCE-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257757;MM257757;C=C(C)CNCC(O)CF;ZRVLNAKFMAIQGV-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257758;MM257758;N=C(N)CNCC(O)CN;KCHGHLWTFFGCBA-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257759;MM257759;C=C(C)CNCC(F)CC;JMMJVVNUSYOBAA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257760;MM257760;C=C(C)CNCC(F)CN;NJCXIHGMPXIPKZ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257761;MM257761;CCC(F)CNCC(=N)N;JERKZQAURKPPDY-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257762;MM257762;N=C(N)CNCC(F)CN;DDPLVBARIMEVJY-UHFFFAOYSA-N;148.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257763;MM257763;C=C(F)CNCC(F)CN;BICNNCUKEQOOGQ-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257764;MM257764;C=C(F)CNCC(C)NC;RNKJCAFVPQCEIQ-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257765;MM257765;C=C(C)CNCC(C)OC;VKMZDOUFSVWWTD-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257766;MM257766;COC(C)CNCC(=N)N;DPESDHKXUJUSDI-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257767;MM257767;CC(CO)COCC(N)=O;BRTBGUZOAXVTGJ-UHFFFAOYSA-N;147.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257768;MM257768;ON=c1nc(O)n(O)o1;SFNJAKTYTVATDW-UHFFFAOYSA-N;133.06;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257769;MM257769;C=C(C)COCC(N)CC;KEOVVOQYBGBCGP-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257770;MM257770;N=C(N)COCC(N)CF;LQYDSVMXEBVEJT-UHFFFAOYSA-N;149.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257771;MM257771;NC(=O)COCC(N)CO;KGHFWWLIGXUFST-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257772;MM257772;C=C(C)COCC(O)CO;HALWGCIWQTXDID-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257773;MM257773;CCC(O)COCC(=N)N;BTJSEZGKXXFALG-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257774;MM257774;N=C(N)COCC(O)CN;AGNYJWULKPJLAN-UHFFFAOYSA-N;147.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257775;MM257775;N=C(N)COCC(O)CO;FBSDKUUYQDPGOE-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257776;MM257776;N=C(N)COCC(O)CF;CALGFBLEYLGINM-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257777;MM257777;NC(=O)COCC(O)CO;BALWCOJEXYEKDB-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257778;MM257778;CCC(F)COCC(C)=O;ZSYFGWAMHWUZHQ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257779;MM257779;N=C(N)COCC(F)CO;LSVKGJAADWGTLE-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257780;MM257780;C=C(C)COCC(C)NC;NGZUARXOYOBHKD-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257781;MM257781;CNC(C)COCC(C)=O;HAIGNHOUQLXIGZ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257782;MM257782;CNC(C)COCC(N)=O;SOOYBWOFQILCCA-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257783;MM257783;C=C(F)COCC(C)NC;ILSPDZKBIGQXLP-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257784;MM257784;COC(C)COCC(=N)N;IKNZBJWJVUZPLX-UHFFFAOYSA-N;146.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257785;MM257785;CC(=N)NCCC(C)CF;SCSQKLOHVXCNNV-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257786;MM257786;CC(=O)NCCC(C)CN;ZGQVTVFQYHXIEB-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257787;MM257787;CC(=O)NCCC(C)CO;IXUKMGIIGYKZOS-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257788;MM257788;CC(=O)NCCC(C)CF;QHLPTDGTJCVRLJ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257789;MM257789;CCC(C)CCNC(=N)N;VVBNBQOPZYAOSD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257790;MM257790;CC(CN)CCNC(=N)N;GWQNQGQCLGJULP-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257791;MM257791;CCC(C)CCNC(N)=O;YAIFAWIKOIJHRJ-UHFFFAOYSA-N;144.22;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257792;MM257792;CC(CN)CCNC(N)=O;PTEKFQAYJVHZMT-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257793;MM257793;CC(CF)CCNC(N)=O;APVCMGJFQCSODA-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257794;MM257794;CCC(N)CCNC(C)=O;NWUJEBQMUXYBKX-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257795;MM257795;CC(=O)NCCC(N)CF;QVYYYFQCXINYIR-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257796;MM257796;CCC(N)CCNC(=N)N;OSRJQFBQFOICCW-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257797;MM257797;CCC(N)CCNC(N)=O;MPSZDWVURIXYKD-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257798;MM257798;CCC(O)CCNC(C)=N;ZLBUELVXALPOFC-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257799;MM257799;CCC(O)CCNC(=N)N;CLTHOMLCMVEZNP-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257800;MM257800;CCC(F)CCNC(C)=N;AGZZEVPYOCOXKI-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257801;MM257801;CC(=N)NCCC(F)CN;NEYQMANIMYCIPJ-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257802;MM257802;CCC(F)CCNC(C)=O;NZJINECHDODOLX-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257803;MM257803;CC(=O)NCCC(F)CN;JSDGYJSPFIHWCI-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257804;MM257804;CC(=O)NCCC(F)CF;MYBGIMCJEKGXSA-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257805;MM257805;N=C(N)NCCC(F)CF;MOHBNDFCGDAWAB-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257806;MM257806;CNC(C)CCNC(C)=O;AGOODKKNMIUHIK-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257807;MM257807;CNC(C)CCNC(=N)N;LTVRZKFKSQTNSI-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257808;MM257808;CNC(C)CCNC(N)=O;XEIUIDKUZDBAMV-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257809;MM257809;COC(C)CCNC(=N)N;HYNDCLHDSZICNW-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257810;MM257810;COC(C)CCNC(N)=O;QIMLKKSGWUBKED-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257811;MM257811;CCC(C)CNNC(C)=N;UOFWMBSAKITTLG-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257812;MM257812;CC(=N)NNCC(C)CF;BRMUPAUJMRUVLD-UHFFFAOYSA-N;147.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257813;MM257813;CC(O)CN(N)C(N)=O;QKELZSFYMSYKGY-UHFFFAOYSA-N;133.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257814;MM257814;CC(CO)NN(C)C=O;VGKACHLVTXYPDF-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257815;MM257815;CC(CN)CNNC(=N)N;FWPQGXWEFXRAQC-UHFFFAOYSA-N;145.21;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257816;MM257816;CN1CC1C(C)(C)CO;CQVBGUOULULROD-UHFFFAOYSA-N;129.2;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257817;MM257817;N=C(N)NNCC(N)CN;SPQOFDLWFOZWBP-UHFFFAOYSA-N;146.2;-2.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257818;MM257818;N=C(N)NNCC(N)CF;AZPGCQLJRXELGM-UHFFFAOYSA-N;149.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257819;MM257819;CCC(N)CNNC(N)=O;YOSYYBOEJVIDLY-UHFFFAOYSA-N;146.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257820;MM257820;NCC(N)CNNC(N)=O;QKFHYAGARIVYKY-UHFFFAOYSA-N;147.18;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257821;MM257821;NC(=O)NNCC(N)CO;YUGWCHHBRKCIIA-UHFFFAOYSA-N;148.17;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257822;MM257822;N=C(N)NNCC(O)CN;YOXACBUUJKAPLC-UHFFFAOYSA-N;147.18;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257823;MM257823;C=NOCC1CC1(C)O;FXIGTFHOZRZOBU-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257824;MM257824;NCC(O)CNNC(N)=O;RIOMNPRRZXAKGZ-UHFFFAOYSA-N;148.17;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257825;MM257825;CNC(=O)C(=N)N(C)N;SCPYEZIHNKGXSE-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257826;MM257826;N=C(N)NNCC(F)CN;QGYSQJYIZXIBJX-UHFFFAOYSA-N;149.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257827;MM257827;CNC(C)CNNC(N)=O;JZHMTOTXTGLUMR-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257828;MM257828;CC(CO)=C(C)C(N)=O;RWFVDIDGJKIBTL-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257829;MM257829;CC(=O)NOCC(C)CF;MJRPOEKVEPILDU-UHFFFAOYSA-N;149.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257830;MM257830;CC(CN)CONC(=N)N;YHDWTHOMWXMGDS-UHFFFAOYSA-N;146.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257831;MM257831;CCC(C)CONC(N)=O;DUHYRARGLLMEHX-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257832;MM257832;CCC(N)CONC(C)=N;PUFOESHDWMTHIJ-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257833;MM257833;CCC(N)CONC(=N)N;JMUVERJUTDUCMH-UHFFFAOYSA-N;146.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257834;MM257834;N=C(N)NOCC(N)CN;ULWWLCKEBANPDT-UHFFFAOYSA-N;147.18;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257835;MM257835;N=C(N)NOCC(N)CO;XXWWFLZGECKLIL-UHFFFAOYSA-N;148.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257836;MM257836;NC(=O)NOCC(N)CO;RZAVAVVJINARNZ-UHFFFAOYSA-N;149.15;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257837;MM257837;CCC(O)CONC(C)=N;RARKGPBPSFPKSM-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257838;MM257838;CCC(O)CONC(C)=O;SESMMNYZGZRJFO-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257839;MM257839;N=C(N)NOCC(O)CF;LQFFBPZYYSZMID-UHFFFAOYSA-N;151.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257840;MM257840;NC(=O)NOCC(O)CO;LXSOJIMHNTVTPV-UHFFFAOYSA-N;150.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257841;MM257841;CCC(F)CONC(C)=N;YLWUOCWTABBWBH-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257842;MM257842;CC(=O)NOCC(F)CF;LGNWCQCUVXZOQL-UHFFFAOYSA-N;153.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257843;MM257843;NCC(F)CONC(N)=O;PVMLDDKHXPPUMK-UHFFFAOYSA-N;151.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257844;MM257844;CNC(C)CONC(C)=O;UROJNSDVADWGIR-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257845;MM257845;CNC(C)CONC(=N)N;MZSDQSCLMFKSJQ-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257846;MM257846;CNC(C)CONC(N)=O;AFJLJYAFBHMOIW-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257847;MM257847;CC(=O)OCCC(C)CO;LTJZCGRKLVKGSU-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257848;MM257848;CCC(C)CCOC(=N)N;HGGPDNIPDVSXDJ-UHFFFAOYSA-N;144.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257849;MM257849;CC(CN)CCOC(=N)N;KZAHICMEKFLWIB-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257850;MM257850;CC(CO)CCOC(=N)N;QIGKZMMTTAAJFZ-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257851;MM257851;CCC(C)CCOC(N)=O;KOXANZIRFBDRPS-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257852;MM257852;C=C(C)OCCC(N)CN;CDRWJCMISAXVPB-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257853;MM257853;CCC(N)CCOC(C)=O;QUUXHYXYKAWIKJ-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257854;MM257854;CCC(N)CCOC(=N)N;XSGAFIZWVAZBNJ-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257855;MM257855;CCC(N)CCOC(N)=O;KDDUMQNJFVVZSE-UHFFFAOYSA-N;146.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257856;MM257856;NC(=O)OCCC(N)CF;SDRIPTOYOXJWDA-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257857;MM257857;C=C(C)OCCC(O)CO;LRUBOJIURVJATC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257858;MM257858;CCC(O)CCOC(C)=O;JMAHTRMRVSPPCM-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257859;MM257859;CCC(O)CCOC(=N)N;SAMCXDRDOLQGLF-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257860;MM257860;CC(=O)OCCC(F)CN;AQHMKVKZOLVVHW-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257861;MM257861;N=C(N)OCCC(F)CF;XHRROOQKZFVTNS-UHFFFAOYSA-N;152.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257862;MM257862;NCC(F)CCOC(N)=O;NIFJHBGWMMYEMK-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257863;MM257863;NC(=O)OCCC(F)CF;XINDHWYUKMVSEM-UHFFFAOYSA-N;153.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257864;MM257864;C=C(C)OCCC(C)NC;GMAIPAKUHKGTND-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257865;MM257865;CNC(C)CCOC(=N)N;LKZHBMGYGLRSKL-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257866;MM257866;CNC(C)CCOC(N)=O;LUIBFWSNNYRPNO-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257867;MM257867;C=C(C)CCNC(C)CC;XSZLHEHUFLWLNF-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257868;MM257868;CC(=O)CCNC(C)CO;NSPWJRKRXVBQHJ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257869;MM257869;CC(CF)NCCC(=N)N;OMPIOCOWKMDCTH-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257870;MM257870;C=C(F)CCNC(C)CF;ZGDZNQUDTPJZNU-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257871;MM257871;CCC(C)OCCC(C)=O;OVCAIYGWLZKIOR-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257872;MM257872;CCC(C)OCCC(=N)N;DBXKSVKDIPWBDM-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257873;MM257873;CC(CO)OCCC(=N)N;XFKNEPFMWNJXPA-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257874;MM257874;CCC(C)OCCC(N)=O;PRWDDMFUMJSDMM-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257875;MM257875;CC(CF)OCCC(N)=O;IASWKAZMVMYTJU-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257876;MM257876;CCON=CC(=O)NOC;UKTCDOYZRGTFRC-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257877;MM257877;C=C(F)CCOC(C)CN;FBOJLIHETHGNMU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257878;MM257878;C=C(C)CCOC(C)OC;IEWNZJMTCUWEEY-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257879;MM257879;COC(C)OCCC(=N)N;JFEIQXHRPWNSIS-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257880;MM257880;COC(C)OCCC(N)=O;JJINFIPYKDKNNI-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257881;MM257881;C=C(C)OCOC(C)CO;PUZIOSVONQZWEY-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257882;MM257882;CC(CO)OCOC(=N)N;DXQCVXDNIUZTGH-UHFFFAOYSA-N;148.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257883;MM257883;CC(CO)OCOC(N)=O;MJAGYBLQZYEEBV-UHFFFAOYSA-N;149.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257884;MM257884;C=C(C)OCOC(C)OC;FLSGLLMMKXHXIZ-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257885;MM257885;COC(C)OCOC(N)=O;DVAUTWBAGREVHT-UHFFFAOYSA-N;149.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257886;MM257886;C=C(C)CCCN(C)CC;MZTCJMNNJTWEAE-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257887;MM257887;CCN(C)CCCC(C)=O;UFJCHNNTOOVVCC-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257888;MM257888;CCN(C)CCNC(C)=O;ZBQCNSKMULDELI-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257889;MM257889;CCN(C)CCNC(=N)N;SGOYVXWIYCHEJC-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257890;MM257890;CCN(C)CCNC(N)=O;OHPBCWWRHSDRRX-UHFFFAOYSA-N;145.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257891;MM257891;CCN(C)CCOC(C)=O;LIKTULWANJGHDM-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257892;MM257892;CCN(C)CCOC(=N)N;UZTHACGKISFOCW-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257893;MM257893;CCN(C)CCOC(N)=O;IOTSLQAPURGYBR-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257894;MM257894;CC(=O)CCCC(C)C#N;ZAYXJHRQIGGXJE-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257895;MM257895;CC(C=O)CCCC(=N)N;OXXQTUVHAQQVMZ-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257896;MM257896;CC(C#N)CCCC(=N)N;MHOFXIARFWAKMB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257897;MM257897;N#CCNCC(=O)C#N;QBFKIRFLDCDWHQ-UHFFFAOYSA-N;123.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257898;MM257898;C=CC(N)CCCC(=C)C;XMIMNIWFVRJPHE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257899;MM257899;C=CC(N)CCCC(=N)N;IHLREEUMAOUUOY-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257900;MM257900;C=CC(N)CCCC(N)=O;WENWCSQDNMODQL-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257901;MM257901;NC(=O)CCCC(O)C=O;OBLVHZXYBLAHPE-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257902;MM257902;C=NOCCC1(O)CC1;CNKDAEZQXQKQOQ-UHFFFAOYSA-N;129.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257903;MM257903;C=C(C)CCCC(F)C#N;RGJHEMGKXXSTEB-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257904;MM257904;C=CC(F)CCCC(=N)N;QEUKCHYEBSIPBZ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257905;MM257905;N=C(N)CCCC(F)C=O;KCVHRNZTRBKPEA-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257906;MM257906;N#CC(F)CCCC(N)=O;MGHDDUSQQJVJQT-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257907;MM257907;C=CC(C)CNCC(=C)C;LBQFDRUUIWZDAC-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257908;MM257908;C=C(C)CNCC(C)C=O;WHNKLBLWHGXZIX-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257909;MM257909;C=CC(C)CNCC(=N)N;YNBGZEVLTBDJTP-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257910;MM257910;CC(C#N)CNCC(=N)N;ARESIQNFUFASOE-UHFFFAOYSA-N;140.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257911;MM257911;C=CC(C)CNCC(N)=O;YFNCAEZHPLAQLP-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257912;MM257912;C=C1CC(=O)C(=N)N1C;RXWNMEJXOYAPSR-UHFFFAOYSA-N;124.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257913;MM257913;Nc1cc(CO)cn1N;TUJKCSNLANFJJN-UHFFFAOYSA-N;127.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257914;MM257914;C=CC(F)CNCC(=C)C;STQGFUYBJLMFDP-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257915;MM257915;CC1(CO)CC2CN2C1;FKYQKEBBFRZWQD-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257916;MM257916;C=CC(C)COCC(C)=O;WUHFXOTYSAWNOV-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257917;MM257917;N#Cc1[nH]nc(O)c1N;ZAOJMCHSMFDSFR-UHFFFAOYSA-N;124.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257918;MM257918;C=C(F)COCC(C)C=O;AHTVVWXJIXJHLW-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257919;MM257919;C=C(F)COCC(C)C#N;ROWDTEGKNQGNFU-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257920;MM257920;C=CC(N)COCC(=N)N;IXYZUTIVTJKEHB-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257921;MM257921;C=CC(N)COCC(N)=O;TYBBDRXCFMTKNF-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257922;MM257922;C=CC(O)COCC(C)=O;OIRLPFKUUPDBDS-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257923;MM257923;N#CC(O)COCC(=N)N;WZMJTRZDDGRTRZ-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257924;MM257924;Cc1c(O)c(F)nn1N;GXUHDAVAFXLKCD-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257925;MM257925;C=CC(O)COCC(=C)F;ROLNMEMAPIFBAD-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257926;MM257926;C=C(F)COCC(O)C=O;MXAYPOMKUYVAES-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257927;MM257927;C=CC(F)COCC(=N)N;LJQYEYXOTKNMNK-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257928;MM257928;N=C(N)COCC(F)C=O;SKZUYDBLLSBRLO-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257929;MM257929;C=CC(F)COCC(N)=O;ILIRLOOJJVYMGS-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257930;MM257930;NC(=O)COCC(F)C=O;SWNSYFBWDFOVGA-UHFFFAOYSA-N;149.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257931;MM257931;N#CC(F)COCC(N)=O;MQHRSKGQGHHZET-UHFFFAOYSA-N;146.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257932;MM257932;C=CC(C)CCNC(C)=N;VYZHAFRKAYIYBA-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257933;MM257933;CC(N)=NCCC(C)C=O;DGEKEQVBYOKGKU-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257934;MM257934;CC(=N)NCCC(C)C#N;HPACFDBJNSNPAU-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257935;MM257935;C=CC(CO)NCC#N;CTJOZGOMTNRKHA-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257936;MM257936;CC(C=O)CCNC(=N)N;PYWDUIKNCWHJGY-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257937;MM257937;CC(C#N)CCNC(=N)N;ZFNHJLXAWAITSC-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257938;MM257938;CC(C=O)CCNC(N)=O;JCGVZCBVQZYVSO-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257939;MM257939;CC(C#N)CCNC(N)=O;OVNKMLRLDKZZOL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257940;MM257940;C=CC(N)CCNC(C)=N;UPRGAOBOACRBNJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257941;MM257941;C=CC(N)CCNC(C)=O;KRSREZAYXIEEIS-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257942;MM257942;CC(=O)NCCC(O)C=O;FIOTYEKMZXTWGR-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257943;MM257943;C=CC(O)CCNC(N)=O;MSKOFMGHIZPTMF-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257944;MM257944;CC(=N)NCCC(F)C=O;XZVPHMYPXSPCMW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257945;MM257945;CC(=O)NCCC(F)C#N;AMHUKXOAQIGTSH-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257946;MM257946;N#CC(F)CCNC(=N)N;GYPAEWJABJYZKF-UHFFFAOYSA-N;144.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257947;MM257947;C=CC(C)CNNC(C)=N;BFTPXIAATRMWQS-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257948;MM257948;CC(=O)NNCC(C)C#N;PXICRIQDSGWLNZ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257949;MM257949;CC(C#N)CNNC(=N)N;FPYVAMUYXWNHRM-UHFFFAOYSA-N;141.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257950;MM257950;CC(C#N)CNNC(N)=O;SNJWXRYBMYXIFF-UHFFFAOYSA-N;142.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257951;MM257951;C=CC(N)CNNC(=N)N;WFZJEOHXIFGXOE-UHFFFAOYSA-N;143.19;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257952;MM257952;CC(=N)NNCC(O)C#N;FSENYBIOBQVYRP-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257953;MM257953;CC(=O)NNCC(O)C#N;YNLXKEMYVNOYDI-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257954;MM257954;N#CC(O)CNNC(=N)N;CSVBQUXHYBPCES-UHFFFAOYSA-N;143.15;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257955;MM257955;N#CC(O)CNNC(N)=O;CPHFOUPATJBDKF-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257956;MM257956;CC(=N)NNCC(F)C=O;PDKLWNFICBRMBZ-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257957;MM257957;NC(=O)NNCC(F)C=O;DXFYCXCVVSMPHG-UHFFFAOYSA-N;149.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257958;MM257958;C=CC(C)CONC(C)=O;FGPFSKUUUCZIAX-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257959;MM257959;CC(=O)NOCC(C)C=O;RVPAIHFGGMFQQF-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257960;MM257960;CC(C=O)CONC(=N)N;CUUJNRDGZXWSDH-UHFFFAOYSA-N;145.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257961;MM257961;CC(C#N)CONC(=N)N;HFZKHGLBQUJQNM-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257962;MM257962;CC(C=O)CONC(N)=O;KQOIRZQMPSTOPN-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257963;MM257963;CC(C#N)CONC(N)=O;YUUIXSWFDOPWKV-UHFFFAOYSA-N;143.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257964;MM257964;C=CC(N)CONC(=N)N;UCZRDHGTZDYWAW-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257965;MM257965;C=CC(N)CONC(N)=O;MEJBHVVOYLMFHF-UHFFFAOYSA-N;145.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257966;MM257966;C=CC(O)CONC(C)=N;SZUXGONVYKZILP-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257967;MM257967;C=CC(O)CONC(=N)N;VYPIWHANEUPFBV-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257968;MM257968;N#CC(O)CONC(=N)N;KFHSFRIXCCVHCK-UHFFFAOYSA-N;144.13;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257969;MM257969;NC(=O)NOCC(O)C=O;OLKKMIZOYMKWAC-UHFFFAOYSA-N;148.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257970;MM257970;N#CC(O)CONC(N)=O;UBTUUOPWCUHJPY-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257971;MM257971;CC(=O)NOCC(F)C#N;YUVQWFJTXKYCIY-UHFFFAOYSA-N;146.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257972;MM257972;C=C(C)OCCC(C)C=O;CDDBNSJROUJKFW-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257973;MM257973;CC(=O)OCCC(C)C#N;TUMKUWVUPCYUJN-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257974;MM257974;CC(C=O)CCOC(=N)N;CVWRCOHXDOMFBQ-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257975;MM257975;C=CC(C)CCOC(N)=O;RUZGWFKRSPISBC-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257976;MM257976;C=CC(N)CCOC(C)=O;CRHPHVSFIISPIZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257977;MM257977;C=CC(N)CCOC(N)=O;ZXWNAKWDMMXJPB-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257978;MM257978;C=C(C)OCCC(O)C#N;MBNFHTAXCHMWFF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257979;MM257979;C=CC(O)CCOC(=N)N;RXIFEYFGPOYCJQ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257980;MM257980;C=CC(O)CCOC(N)=O;HKPNWBXKDZICJX-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257981;MM257981;NC(=O)OCCC(O)C=O;XYBPUCLPNGRHGO-UHFFFAOYSA-N;147.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257982;MM257982;N#CC(F)CCOC(=N)N;CRROUKOQPMMVMC-UHFFFAOYSA-N;145.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257983;MM257983;N#CC(F)CCOC(N)=O;VLBOFBLUNOVNMJ-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257984;MM257984;C=C(C)CCNC(C)C=O;MCCWJSLIIUGECA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257985;MM257985;N#CC1C=CC(CO)N1;BSPMUIXIAFURJS-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257986;MM257986;C=CC(C)NCCC(=N)N;DBJWJHGPCPHCIP-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257987;MM257987;CC(C#N)NCCC(=N)N;PLUJQKVFDWZGBF-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257988;MM257988;C=CC(C)NCCC(N)=O;FNLLIQBENKLCFV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257989;MM257989;CNc1cc(CF)[nH]n1;OZMOKZVXMCORML-UHFFFAOYSA-N;129.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257990;MM257990;C=CC(C)NCCC(=C)F;GUKFZYOQCZBMCR-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257991;MM257991;C=C(F)CCNC(C)C#N;JZYDXBBYMNTNLR-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257992;MM257992;C=C(C)CCOC(C)C#N;WJEUWUPIVZTIIC-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257993;MM257993;CC(C#N)OCCC(=N)N;OBWMJPURKINELB-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257994;MM257994;Nn1c(O)c(F)cnc1=O;ZEVXUDMVEMQILL-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257995;MM257995;C=CC(C)OCOC(=C)C;DANQZSGPQGRAMY-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257996;MM257996;C=C(C)OCOC(C)C=O;BWSJAMVUWRJDER-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257997;MM257997;C=C(C)OCOC(C)C#N;QTQXZYJGISQLPJ-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257998;MM257998;CC(C=O)OCOC(=N)N;OARONONQYOTYDP-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM257999;MM257999;C=CC(C)OCOC(N)=O;ONZQFILCRKDPGD-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258000;MM258000;C=C(CF)CC(=O)C(=N)N;XYVRPIAXQNKWLI-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258001;MM258001;C=C(F)CCCN(N)C=N;MQAJJFGABWJTCI-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258002;MM258002;C=C(C)CCCN(O)C=O;DKMADYIDUAAQLY-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258003;MM258003;CC(=O)CCCN(O)C=N;UWTRDGJSCPKQQD-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258004;MM258004;C=C(F)CCCN(O)C=N;CICKBGOGPNWQDE-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258005;MM258005;C=NN(C)CCCC(=C)C;LNTOSAOHCLDZPS-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258006;MM258006;C=NN(C)CCCC(=N)N;AQNZYMZUKXAHAG-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258007;MM258007;CC(CCC=NO)C(=O)O;XAEXYQPWKBXSON-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258008;MM258008;CC(=O)OCCN(C)C=N;JWFVWHFEQOFYFB-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258009;MM258009;CC(=O)OCCN(C)C=O;FQGWJOQNUDNGEC-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258010;MM258010;CN(C=N)CCOC(=N)N;CYMKMLOIGHIYKR-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258011;MM258011;CN(C=O)CCOC(=N)N;VTLOUKPTFBMHST-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258012;MM258012;CN(C=N)CCOC(N)=O;OXGSBISYEHNNGH-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258013;MM258013;CN(C=O)CCOC(N)=O;PLPYRVVRDKSZDM-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258014;MM258014;C=C(C)OCCN(N)C=N;BRFHGQWJMQRAGZ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258015;MM258015;C=C(C)OCCN(N)C=O;IAMSPZBQAJZTOJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258016;MM258016;N=CN(N)CCOC(=N)N;RPQQAIMWZIEXOQ-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258017;MM258017;CC(F)=CN(N)C(=O)CF;PXYDUUQMGHIWOU-UHFFFAOYSA-N;150.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258018;MM258018;N=CN(O)CCOC(=N)N;OGKABKAGOFPMCI-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258019;MM258019;C=NN(C)CCOC(=N)N;SNNSFBUKBNGKPD-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258020;MM258020;C=CCC(=CC(N)=O)CO;PRSGMNALWOCDAW-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258021;MM258021;CCON=CCNC(N)=O;JPUBSGFYHNYELY-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258022;MM258022;CC=NOCC1CC1(C)O;VUEVOLQCLJDEDQ-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258023;MM258023;C=C(F)CCNN(C)C=O;DFXLGUQNSZOZCD-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258024;MM258024;C=C(C)CCON(C)C=O;UCZKWKZSDBFRLS-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258025;MM258025;CC(=O)CCON(C)C=O;NFYXGBOKNRNMJT-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258026;MM258026;NN=c1[nH]nc(N)o1;PNOXGRUOQSPNLZ-UHFFFAOYSA-N;115.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258027;MM258027;C=C(F)CCON(C)C=O;SQHWLFKIEBAYHC-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258028;MM258028;CC(=O)OCON(C)C=O;QLHICYBHLBVFKH-UHFFFAOYSA-N;147.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258029;MM258029;CN(C=N)OCOC(=N)N;SMXVQPWIOCXZTD-UHFFFAOYSA-N;146.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258030;MM258030;CN(C=O)OCOC(=N)N;LVQWNIXHKICUOY-UHFFFAOYSA-N;147.13;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258031;MM258031;CN(C=N)OCOC(N)=O;VJNKYMKKMNZAQG-UHFFFAOYSA-N;147.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258032;MM258032;CN(C=O)OCOC(N)=O;STECRSIHUIFROK-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258033;MM258033;C#CC(C)CCCC(=N)N;RXQFCTBFFZAPBU-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258034;MM258034;CCC(CO)=C(C)C(N)=O;UFZXBVVOUMDVHT-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258035;MM258035;C#CC(C)CCCC(=O)O;KRJWWTGUMXXOGM-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258036;MM258036;C#CC(N)CCCC(=N)N;QFJGUUSXVLVMCK-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258037;MM258037;C#CC(O)CCCC(=N)N;MLGYYCTZRCELLB-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258038;MM258038;C#CC(N)CNCC(=C)F;XZHFWAWYSWRWKX-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258039;MM258039;C#CC(F)CNCC(=C)F;BQPRPFVOPOURDC-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258040;MM258040;C#CC(C)COCC(C)=O;HMCVXVZSLDRXQZ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258041;MM258041;C#CC(C)COCC(N)=O;QXLKGURGUUZYFF-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258042;MM258042;C#CC(N)COCC(=N)N;ZYKZFXXIGIHCJI-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258043;MM258043;C#CC(O)COCC(=N)N;JVSZWHVIRXEDSZ-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258044;MM258044;C#CC(O)COCC(N)=O;NWGOAHFERKOCOY-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258045;MM258045;C#CC(O)COCC(=C)F;NCWGRJJCPYCFFH-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258046;MM258046;C#CC(F)COCC(=N)N;VTLYLQAEJKXURG-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258047;MM258047;C#CC(F)COCC(N)=O;HZBQCYGXHAQMQC-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258048;MM258048;C#CC(C)CCNC(C)=O;CXBFTJBVEWPQTB-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258049;MM258049;C#CC(C)CCNC(=N)N;IVPJZBXFAOKUEV-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258050;MM258050;C#CC(C)CCNC(N)=O;CWDOQAGXZLMYQI-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258051;MM258051;C#CC(O)CCNC(C)=N;FVQZVBZEXOAIFC-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258052;MM258052;C#CC(F)CCNC(=N)N;KEPBDSYZYCVTNE-UHFFFAOYSA-N;143.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258053;MM258053;C#CC(F)CCNC(N)=O;ZZTOATNPGLDSMC-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258054;MM258054;C#CC(C)CNNC(C)=N;PCDLJFLGUNVHMJ-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258055;MM258055;C#CC(C)CONC(C)=O;XGHNBPZFQBVHOO-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258056;MM258056;C#CC(C)CONC(=N)N;JRCZTFUZGOAHCV-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258057;MM258057;C#CC(C)CONC(N)=O;BUEKEKRLLYDDOG-UHFFFAOYSA-N;142.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258058;MM258058;C#CC(N)CONC(=N)N;WHLRBTNXGXTKJI-UHFFFAOYSA-N;142.16;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258059;MM258059;C#CC(O)CONC(=N)N;ZHCSVWRKKWSTGN-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258060;MM258060;C#CC(F)CONC(N)=O;MINYTEZABQEREB-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258061;MM258061;C#CC(C)CCOC(N)=O;FQVINEKHAVQVDD-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258062;MM258062;C#CC(N)CCOC(N)=O;HYXYTMUUFQWHFS-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258063;MM258063;C#CC(C)NCCC(=C)C;UDQDIVSWKDUBFB-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258064;MM258064;C#CC(C)NCCC(=N)N;RFDLGWKSUYZEIP-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258065;MM258065;C#CC(C)NCCC(N)=O;UUNHQTMGJYLRJJ-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258066;MM258066;C#CC(C)NCCC(=C)F;VHXVNTJBYRBUGD-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258067;MM258067;C#CC(C)OCCC(C)=O;PBDNEOLGSOPXQV-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258068;MM258068;C#CC(C)OCCC(=N)N;ZFYYKMLIWUMOML-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258069;MM258069;C#CC(C)OCCC(N)=O;XEBZTHZZJPFNLP-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258070;MM258070;C#CC(C)OCOC(=C)C;LJMBUQSYXXOYHE-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258071;MM258071;C#CC(C)OCOC(C)=O;GRGOLGCPNZGOEV-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258072;MM258072;C#CC(C)OCOC(=N)N;BILUMUQDHIQWQL-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258073;MM258073;C=C(CC)CCCC(C)C;KHXBSPAXCBOYHZ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258074;MM258074;C=C(CN)CCCC(C)O;IJLVRZBXNMZURL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258075;MM258075;CC(C)CCCC(=O)CO;PLOWULGFXZENID-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258076;MM258076;C#CCC(=N)N(N)C(N)=O;WFPBJCULOKJPIX-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258077;MM258077;CCC(=O)CCCC(F)F;NFWVRXUUWMHQBK-UHFFFAOYSA-N;150.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258078;MM258078;CC(O)CCCC(=N)NN;WDMMVHGKIAZGMC-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258079;MM258079;CC(O)CCCC(=N)NO;RMESKBOJQYPCQD-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258080;MM258080;CC(CO)NNC(=N)C#N;GYTWGGJVAPAXKU-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258081;MM258081;CC(C)CCCC(=O)NO;TWBINIHAXPCYIH-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258082;MM258082;CC1(CO)CNC(C#N)C1;HCRHOTKTNNKZPZ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258083;MM258083;C=C(CC)CNCC(C)C;ONBCTHMCGSQSEQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258084;MM258084;C=C(CO)CNCC(C)C;IAZKPJZLWPLHTI-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258085;MM258085;C=C(CO)CNCC(C)N;CMTUNZKUPCWSRL-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258086;MM258086;C=C(CC)CNCC(C)F;UTGHFUQDGLIJFK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258087;MM258087;C=C(CN)CNCC(C)F;QUCPFSHJSPPTAQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258088;MM258088;CCC(=O)CNCC(C)C;BJGIZQLJPHVMCQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258089;MM258089;CC(C)CNCC(=O)CO;GFVLXXJUIGVEIZ-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258090;MM258090;CNC(=N)CNCC(C)C;HDFGPDWIKYZCEH-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258091;MM258091;CNC(=N)CNCC(C)O;AVWAKNBABKLFJL-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258092;MM258092;CNC(=O)CNCC(C)N;ZBAFEWNEYMIMTN-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258093;MM258093;CNC(=O)CNCC(C)O;OWKYWCGWWOSBKU-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258094;MM258094;C=C(CNCC(C)C)OC;QKJARDFQFYGQSB-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258095;MM258095;C=C(CNCC(C)O)OC;GEBYGBAHGLPIKQ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258096;MM258096;C=C(CNCC(F)F)OC;HWJHZTAUFLPTOR-UHFFFAOYSA-N;151.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258097;MM258097;C=C(CO)COCC(C)C;HUCGGEYNHVHDAW-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258098;MM258098;C=C(CN)COCC(C)O;LPNNGOUUCBGCJT-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258099;MM258099;C=C(CN)COCC(C)F;FALLDWQPKCYBJF-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258100;MM258100;C=C(CO)COCC(C)F;DVNOLULFIKUUOD-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258101;MM258101;C=C(CO)COCC(F)F;APYJJNNQQTWANN-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258102;MM258102;CC(O)COCC(=O)CF;CLURQBUJWKLISS-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258103;MM258103;CCC(=O)COCC(C)F;ILNQQLOQVHVBJW-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258104;MM258104;CC(F)COCC(=O)CO;UNGSVGFINCSCDP-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258105;MM258105;CCC(=O)COCC(F)F;ZMFZGVHTOSGOSZ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258106;MM258106;CNC(=N)COCC(C)C;JNZZDHXXAZPIPZ-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C3";;;;;;;0.59;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258107;MM258107;CNC(=N)COCC(C)N;CUCXKPSVZNCGSO-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258108;MM258108;CNC(=N)COCC(C)O;PFMNDLLVOWQFFY-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258109;MM258109;CC(O)COCC(=N)NN;XMVDAYNXWDWHKS-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258110;MM258110;CC(O)COCC(=N)NO;MSZZEDNAGGZYIY-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258111;MM258111;CC(F)COCC(=N)NN;HZOXXQMDJXJBHU-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258112;MM258112;CC(F)COCC(=N)NO;KSKPILYBRGIQFQ-UHFFFAOYSA-N;150.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258113;MM258113;N=C(COCC(F)F)NN;OOYXQTKCSODARI-UHFFFAOYSA-N;153.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258114;MM258114;N=C(COCC(F)F)NO;AKAXKEDIQKRCJV-UHFFFAOYSA-N;154.12;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258115;MM258115;CNC(C#N)CC1(O)CC1;ZIPGSUDUURCLRN-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258116;MM258116;CNC(=O)COCC(C)N;YIHUXVDPLPCMPJ-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258117;MM258117;CC(N)COCC(=O)NO;RMHKMCSWUSCPHG-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258118;MM258118;CNC(=O)COCC(C)O;NPRKXJDSOBNGAL-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258119;MM258119;CC(O)COCC(=O)NO;VQZLUKJBYJZJBP-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258120;MM258120;NNC(=O)COCC(F)F;MOOYNWWLHSDLGA-UHFFFAOYSA-N;154.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258121;MM258121;O=C(COCC(F)F)NO;IXVNPZVKVWKEOV-UHFFFAOYSA-N;155.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258122;MM258122;COC(=O)COCC(C)N;KLUDCHDZMDYKFL-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258123;MM258123;COC(=O)COCC(C)O;DAVAQLRWLUGOIC-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258124;MM258124;C=C(CC)CCNC(C)C;MFCOMTLVPCBXSP-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258125;MM258125;CCC(=O)CCNC(C)C;QPKOXMSETICELJ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258126;MM258126;CC(C)NCCC(=O)CO;ADSRETIUYNTLIF-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258127;MM258127;CC(C)NCCC(=O)CF;XFBMDRNBAYWIET-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258128;MM258128;CNC(=N)CCNC(C)C;OQVIXXZSAVGZIK-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258129;MM258129;CNC(=O)CCNC(C)C;XRNMWDXTWCXBDU-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258130;MM258130;C=C(CCNC(C)C)OC;AZQGVHCLIBIHPK-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258131;MM258131;COC(=O)CCNC(C)C;CDMLINZNKOVCCN-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258132;MM258132;CC(C)OCCC(=O)CO;ZBZGPSOBKCPSED-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258133;MM258133;CC(C)CCNC(=N)CO;CTOPOPNORNEEQR-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258134;MM258134;CCC(=N)NCCC(C)F;PYRDFMSLNZSFLZ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258135;MM258135;CC(F)CCNC(=N)CN;VSRCLQSFTIVHKA-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258136;MM258136;CC(F)CCNC(=N)CO;FUCSILLHOXOICT-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258137;MM258137;N=C(CN)NCCC(F)F;DWWSJGNRSMMIOI-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258138;MM258138;N=C(CO)NCCC(F)F;UUUPBYAZGNZSQO-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258139;MM258139;CCC(=O)NCCC(C)N;GKBYAPFKZQMTQO-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258140;MM258140;CC(O)CCNC(=O)CF;MQJBXMIDSVYVTJ-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258141;MM258141;CC(F)CCNC(=O)CO;KUSFUJSEUDTFBQ-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258142;MM258142;CC(F)CCNC(=O)CF;BYCKPNPQRZIPJT-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258143;MM258143;CNC(=N)NCCC(C)C;SQLSMDYMSMKKOS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258144;MM258144;CC(C)CCNC(=N)NN;DPYSWVBKZLEYRI-UHFFFAOYSA-N;144.22;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258145;MM258145;CNC(=N)NCCC(C)O;ZEPSVGDMWMDBKC-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258146;MM258146;CNC(=N)NCCC(C)F;CYAVYUQLHZPJAG-UHFFFAOYSA-N;147.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258147;MM258147;CC(F)CCNC(=N)NN;VZAJDTPWZAZQKY-UHFFFAOYSA-N;148.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258148;MM258148;N=C(NN)NCCC(F)F;PNBMRZLURTYDSZ-UHFFFAOYSA-N;152.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258149;MM258149;N=C(NO)NCCC(F)F;MYZJOXKBTDWIKM-UHFFFAOYSA-N;153.13;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258150;MM258150;CNC(=O)NCCC(C)C;GCYKFOSLUQEBMJ-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258151;MM258151;CNC(=O)NCCC(F)F;DZOUEITYRQYJGY-UHFFFAOYSA-N;152.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258152;MM258152;C=CC(CO)NC(C)C#N;HTFFXSVDAGVMLE-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258153;MM258153;COC(=N)NCCC(C)O;VWMHBYRZDHGIAY-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258154;MM258154;CCC(=N)NNCC(C)C;SAMSPDRJEXCOBC-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258155;MM258155;CCC(=N)NNCC(C)N;YFMAGVQKUROYHF-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258156;MM258156;CC(CO)NN(C=N)C=O;HSAKUJNTCNLIOB-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258157;MM258157;CCC(=O)NNCC(C)N;YIUJVGWSKYUAPW-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258158;MM258158;CNC(=N)NNCC(C)O;YUPSHWUUKIXVFN-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258159;MM258159;CNC(=N)NNCC(F)F;JQSNEYKUYKOCSP-UHFFFAOYSA-N;152.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258160;MM258160;CNC(=O)NNCC(C)N;ZHHSWAJGDTWIML-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258161;MM258161;CC(CO)NN(C=O)C=O;REJHRASJHDEPNZ-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258162;MM258162;CC(O)CNNC(=O)NO;OXVMZUPMOLROJZ-UHFFFAOYSA-N;149.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258163;MM258163;CC(CC(CO)CO)=NN;WOJLYJNPJCHICL-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258164;MM258164;CC(C)CONC(=N)CN;ZRKIRWPVLKEJCG-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258165;MM258165;CC(N)CONC(=N)CO;KCCJDBYDSFOOMX-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258166;MM258166;CCC(=N)NOCC(C)O;RPXGADVZOWTSNW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258167;MM258167;CC(O)CONC(=N)CO;ARPGJGQHRBHZEV-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258168;MM258168;N=C(CO)NOCC(F)F;WYMLWVGETKWQTF-UHFFFAOYSA-N;154.12;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258169;MM258169;CCC(=O)NOCC(C)C;DOGLYJIGXYZKTO-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258170;MM258170;CN=c1nc(O)on1C=N;HHDVOHNXNTUTKT-UHFFFAOYSA-N;142.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258171;MM258171;CNC(=N)NOCC(C)N;NBSARDUTPVUPJJ-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258172;MM258172;CC(N)CONC(=N)NO;KRNHNNSLUKNLKT-UHFFFAOYSA-N;148.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258173;MM258173;CNC(=N)NOCC(C)O;AJHCRTAAZLHUCV-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258174;MM258174;CC(O)CONC(=N)NN;LIMVGKZCAOTSDE-UHFFFAOYSA-N;148.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258175;MM258175;CC(O)CONC(=N)NO;LEVTVGLADLZXJZ-UHFFFAOYSA-N;149.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258176;MM258176;CC(F)CONC(=N)NN;MHCQKPCSKNLDLQ-UHFFFAOYSA-N;150.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258177;MM258177;CC(F)CONC(=N)NO;OEGXVGALGWRGNG-UHFFFAOYSA-N;151.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258178;MM258178;N=C(NN)NOCC(F)F;HKWHHSVSUBHMNC-UHFFFAOYSA-N;154.12;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258179;MM258179;CNC(=O)NOCC(C)N;XSHASTOACRUUHD-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258180;MM258180;CC(N)CONC(=O)NO;OVDFVATWQIATPU-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258181;MM258181;CNC(=O)NOCC(C)O;KJRIARFOCFBFHU-UHFFFAOYSA-N;148.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258182;MM258182;CC(O)CONC(=O)NN;IXKLPEFTAQEVIE-UHFFFAOYSA-N;149.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258183;MM258183;CC(O)CONC(=O)NO;RZKXTZQMZXYRLO-UHFFFAOYSA-N;150.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258184;MM258184;CNC(=O)NOCC(C)F;RTUZPWGAMAEALH-UHFFFAOYSA-N;150.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258185;MM258185;CC(F)CONC(=O)NN;FRJWFKRKWZTNFU-UHFFFAOYSA-N;151.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258186;MM258186;CC(F)CONC(=O)NO;XJNIMBYOUJCLGF-UHFFFAOYSA-N;152.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258187;MM258187;NNC(=O)NOCC(F)F;JOYOWFMRBMZBHK-UHFFFAOYSA-N;155.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258188;MM258188;O=C(NO)NOCC(F)F;PCYJRZJWPGYSRG-UHFFFAOYSA-N;156.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258189;MM258189;C=C(CF)OCCC(C)N;DSQWEPIASXONOZ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258190;MM258190;C=C(CN)OCCC(C)O;ZZTYCUJUGAKHQW-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258191;MM258191;C=C(CN)OCCC(F)F;PUMMYXHZGYOBAW-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258192;MM258192;C=C(CO)OCCC(F)F;JWYSMRHGXCUZLW-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258193;MM258193;CC(C)CCOC(=O)CO;KVYOYAKIZBJZOC-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258194;MM258194;CCC(=O)OCCC(C)N;YMYIXMKQHCFQEE-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258195;MM258195;CCC(=O)OCCC(C)O;OQOQFUOBKIIZRR-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258196;MM258196;CC(O)CCOC(=O)CO;CHZBBMCUJYALDB-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258197;MM258197;CCC(=O)OCCC(F)F;LVTJQWGHKKVDST-UHFFFAOYSA-N;152.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258198;MM258198;COC(COC(N)=O)=NN;GIHXVDGWSGRDIV-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258199;MM258199;CNC(=N)OCOC(C)C;YVJLCPIAPQSPGW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258200;MM258200;COC(=O)OCOC(C)C;GSUYLFROQKPLON-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258201;MM258201;C=C(CO)CCCN(C)C;OYOCGWJKYHAEQC-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258202;MM258202;CCC(=O)CCCN(C)C;KZTGSPAWPUFDRN-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258203;MM258203;CN(C)CCCC(=N)NN;WDNWMFJJIVDZBV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258204;MM258204;CN(C)CCCC(=N)NO;IRHUQUBXVJCDJH-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258205;MM258205;CCC(=N)NCCN(C)C;UEGHAUVCIWWTFB-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258206;MM258206;CN(C)CCNC(=N)CN;ORONMHSNYRNBSQ-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258207;MM258207;CN(C)CCNC(=N)CO;QHTSCFXFYAPZQW-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258208;MM258208;CN(C)CCNC(=O)CN;RAPLOFPMGSYVQW-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258209;MM258209;CN(C)CCNC(=O)CO;VSIMYTBEQWJZEI-UHFFFAOYSA-N;146.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258210;MM258210;CN(C)CCNC(=O)CF;IIVKRKDUSUHQBS-UHFFFAOYSA-N;148.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258211;MM258211;CNC(=N)NCCN(C)C;YRUHIZGOWMOWSR-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258212;MM258212;CN(C)CCNC(=N)NN;JFKFFJYIXBGCGL-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258213;MM258213;CN(C)CCNC(=N)NO;PETXIPRRHBOBEW-UHFFFAOYSA-N;146.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258214;MM258214;CNC(=O)NCCN(C)C;FAXYFOSSPDGHFA-UHFFFAOYSA-N;145.21;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258215;MM258215;CN(C)CCNC(=O)NN;AYJMPVVRJRKUAR-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258216;MM258216;CN(C)CCNC(=O)NO;ZARGXBGWPNNPOF-UHFFFAOYSA-N;147.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258217;MM258217;COC(=N)NCCN(C)C;WBHIEDOFYNLYDC-UHFFFAOYSA-N;145.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258218;MM258218;COC(=O)NCCN(C)C;PBGMOPVWZWZNMQ-UHFFFAOYSA-N;146.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258219;MM258219;C=C(CC)OCCN(C)C;GRHQIQKEXMPYKW-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258220;MM258220;C=C(CN)OCCN(C)C;RXGJZFJBFMCFNI-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258221;MM258221;CN(C)CCOC(=O)CO;FEZGDJARTFLGFZ-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258222;MM258222;CNC(=N)OCCN(C)C;SGUXLXLGPHRTCM-UHFFFAOYSA-N;145.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258223;MM258223;CN(C)CCOC(=N)NN;LTWDVADQEJNXKF-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258224;MM258224;CNC(=O)OCCN(C)C;ZQLSPASKNLYZKC-UHFFFAOYSA-N;146.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258225;MM258225;CN(C)CCOC(=O)NN;PAQXDBTZGNEGLQ-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258226;MM258226;C#CC1(CNC(N)=O)CN1;OKTAIIRJXCFVRP-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258227;MM258227;CC(C)(CO)C1NC1CF;FXXYSNYZPYDRBW-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258228;MM258228;C=C(C=O)CCCC(C)F;XVBFJFRLOBXDFF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258229;MM258229;C=C(C=O)CCCC(F)F;AMQBPUAVZMOCTR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258230;MM258230;C=C(C#N)CCCC(F)F;KVPSNZNFMZTTQR-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258231;MM258231;C=CC(=C)N(N)C(=O)CF;RMUQPTNVYPPLIM-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258232;MM258232;C=CC(=O)CCCC(C)F;KSIWKVAVIGFJOO-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258233;MM258233;CC(F)CCCC(=O)C=O;UQUVDEUJJDKALJ-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258234;MM258234;CC(F)CCCC(=O)C#N;DCUGENNIFRWZRQ-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258235;MM258235;C=CC(=O)CCCC(F)F;RKYUXSPSEHBREE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258236;MM258236;C=CC(=C)CNCC(C)C;BJWRKVCICNXDCJ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258237;MM258237;C=C(C=O)CNCC(C)C;SZXLIHNBYCODDG-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258238;MM258238;C=C(C#N)CNCC(C)F;PIUXKSWLOYEFGK-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258239;MM258239;C=CC(=O)CNCC(C)C;BGMIDEIPTLVKFZ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258240;MM258240;C=NNC=NC=C(C)CO;FVWFRISTUWRVMV-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258241;MM258241;C=C(C#N)COCC(C)O;YJGFZNQBTVITDF-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258242;MM258242;C=C(C#N)COCC(C)F;ZYOGJZKTACUTLA-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258243;MM258243;C=C(C#N)COCC(F)F;GRVFQNNHXKEYKL-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258244;MM258244;CC(C)COCC(=O)C#N;IUDKEALMZQWGBN-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258245;MM258245;C=CC(=O)COCC(C)F;GELLFNAZYDMLRH-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258246;MM258246;N#CC(=O)COCC(F)F;NKCWSIOMSZJWCV-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258247;MM258247;C=C(C=O)CCNC(C)C;GYHNUNNHFNCDJS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258248;MM258248;C=C(C#N)CCNC(C)C;RXHDOTZMXQTBGP-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258249;MM258249;C=CC(=O)CCNC(C)C;VWTBSUNAXKHPNX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258250;MM258250;CC(C)CCNC(=N)C#N;GXSWYTRWCFKBBO-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258251;MM258251;C#CC(C=NN)=C(C)CO;ISSXITQJNFPCHS-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258252;MM258252;CC(F)CCNC(=N)C#N;VLRSHQZFDAKRIQ-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258253;MM258253;C=CC(=N)NCCC(F)F;CKKPZDDVWFRGOO-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258254;MM258254;CC(C)CCNC(=O)C=O;HWFHIVRBOAPOHR-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258255;MM258255;CC(C)CCNC(=O)C#N;JEKODMMXLDAGEO-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258256;MM258256;C#CCNC(CO)CC#N;IKNDYFRAAXSYDO-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258257;MM258257;CC(F)CCNC(=O)C=O;NWQWLCBAKIHAJS-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258258;MM258258;O=CC(=O)NCCC(F)F;ZUUFCLNPTWKWOW-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258259;MM258259;C=CC(=N)NNCC(C)C;VNKDFFMJTGVREN-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258260;MM258260;CNC(=O)N(NC)C(C)=N;AVNCUBVCFZIBBF-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258261;MM258261;C=CC(=N)NNCC(C)N;BATVUQFEWFQNTJ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258262;MM258262;CCC(C(N)=O)=C(C)CO;DNGXMKSAFWVTBE-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258263;MM258263;C=NOCC(CO)=C(C)C;IZAUNLGOAQUMFU-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258264;MM258264;CC(C)CNNC(=O)C#N;XASQHHCHNLEOQC-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258265;MM258265;O=CC(=O)NNCC(F)F;BDNHTOTVBZQRDB-UHFFFAOYSA-N;152.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258266;MM258266;N=Cn1nc(N)n(N)c1=O;HNNJKFLUBXCDOL-UHFFFAOYSA-N;142.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258267;MM258267;CC1C2CC(C)(CO)CN12;IMRGHZFVUFGBAM-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258268;MM258268;C=CC(=N)NOCC(F)F;KTRWUHGSTSDQED-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258269;MM258269;NN=C(NN)N(C=O)C=O;CCKQYKFHSFPVHS-UHFFFAOYSA-N;145.12;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258270;MM258270;C=NOCC=CCC(=O)O;XMJYQUOELPBHIB-UHFFFAOYSA-N;143.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258271;MM258271;NN=CN(O)CCC(=O)O;XCDGMPWCPHDCGK-UHFFFAOYSA-N;147.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258272;MM258272;O=c1ncoc(=O)[nH]1;XUXUUURPTHYGBU-UHFFFAOYSA-N;114.06;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258273;MM258273;C=C(C#N)OCCC(C)C;JGUQTIFRNOEWCG-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258274;MM258274;C=C(C#N)OCCC(C)O;QUXUHNDMWPINBU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258275;MM258275;CC(O)CCOC(=O)C=O;AANZJLSYKUKXQU-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258276;MM258276;CC(F)CCOC(=O)C#N;CYDFQOWVJCXFGT-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258277;MM258277;N#CC(=O)OCCC(F)F;DSQVSCBNICEOOU-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258278;MM258278;C=C(C#N)CCCN(C)C;LEQQQZLMQYCOKK-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258279;MM258279;C=CC(=N)NCCN(C)C;ZXRJYNDJHOBXKL-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258280;MM258280;C=CC(=O)NCCN(C)C;WDQKICIMIPUDBL-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258281;MM258281;C=C(C#N)OCCN(C)C;DQAFJHUEFWWPNL-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258282;MM258282;C=CC(=O)OCCN(C)C;DPBJAVGHACCNRL-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258283;MM258283;CN(C)CCOC(=O)C#N;RLKLMXZJDBGYLB-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258284;MM258284;C=NNCC=C(CO)CF;OKPRIJDMMYZFBJ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258285;MM258285;C#CC(=C)CNCC(C)C;KBHQZTYRWDRDLL-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258286;MM258286;C#CC(=C)CNCC(C)N;CPDAUBGBZCMLNX-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258287;MM258287;C#CC(=C)CNCC(F)F;UFLZNWLJBDTRBL-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258288;MM258288;C#CC(=C)COCC(C)N;PABVFNGNYNOJDQ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258289;MM258289;C#CC(=C)COCC(C)O;NHUOJRSTJFGNGQ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258290;MM258290;C#CC(=O)COCC(C)O;PNHDVACUSFPGCO-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258291;MM258291;C#CC(=O)COCC(F)F;PAPYODZUNYLVHN-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258292;MM258292;C#CC(=C)CCNC(C)C;LNSLMYGONHENOY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258293;MM258293;C#CC(=N)NCCC(C)C;LHXRVZVKSZUQLO-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258294;MM258294;C#CC(=N)NCCC(C)N;JEYVMDYYILNVPT-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258295;MM258295;C#CC(=N)NCCC(F)F;CSOVQOHUSYZUFJ-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258296;MM258296;C#CC(=O)NCCC(C)C;DZLNKNGCJCZTNA-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258297;MM258297;C#CC(=O)NCCC(C)N;IBCHTTIDPHBNAB-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258298;MM258298;C#CC(=O)NCCC(C)O;DENPHRLJMZGRSY-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258299;MM258299;C#CC(=N)NNCC(C)C;CNTYXSVKNLIJNQ-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258300;MM258300;CN1CC1C=C(CO)CF;NIYNNUOJRULGOB-UHFFFAOYSA-N;145.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258301;MM258301;C#CC(=N)NOCC(C)N;ZNKWNNXYZFLCIG-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258302;MM258302;C#CC(=O)NOCC(C)O;DIEAZQUEZRCZGH-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258303;MM258303;C#CC(=C)OCCC(C)O;OOPYPJFBGZWHOF-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258304;MM258304;C#CC(=C)OCCC(C)F;UETISIWCIKMFAS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258305;MM258305;C#CC(=O)OCOC(C)C;YFKMWCKCKVVIPE-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258306;MM258306;C#CC(=N)NCCN(C)C;RWZVTZMJPJSJIS-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258307;MM258307;C#CC(=O)NCCN(C)C;FKWOEELHENBIIR-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258308;MM258308;C=C(C)CCCC(=C)CN;FTOAEERXZHWRPT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258309;MM258309;C=C(CC)CCCC(C)=O;PVTCFKBVRSHPAB-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258310;MM258310;C=C(CN)CCCC(=N)N;PYHUFNFICXVBNT-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258311;MM258311;CCc1[nH]nc(C#N)c1C;SNXSGBMZZUXUKB-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258312;MM258312;C=Cc1ccc(NO)cc1;GKBSOPVSSKTOEP-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258313;MM258313;C=C(CC)CCCC(=O)O;PCIDPZFSHILZJM-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258314;MM258314;C=C(F)CCCC(=C)CO;CGSKZTGBGKJLKR-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258315;MM258315;C=C(C)CCCC(=O)CC;YMIXZJZFKCPCAX-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258316;MM258316;C=C(C)CCCC(=O)CF;IFIRJIQZBVHVRJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258317;MM258317;CCC(=O)CCCC(C)=O;XSHOQLFLPSMAGQ-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258318;MM258318;CC(=O)CCCC(=O)CF;FRWMLPXWZWAYHG-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258319;MM258319;N=C(N)CCCC(=O)CF;LJRPGTIOZJUWSQ-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258320;MM258320;CC(=CC(N)=O)CO;MDMXJKNVPZYKKI-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258321;MM258321;NC(=O)CCCC(=O)CF;UEFYEULGSBLBQY-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258322;MM258322;CC(C)(CC=O)C(=O)O;YKNQNJJIRXGJSV-UHFFFAOYSA-N;130.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258323;MM258323;O=c1c(F)c(O)on1O;VWJYWJCVYBFSIJ-UHFFFAOYSA-N;135.05;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258324;MM258324;CN=C(N)CCCC(C)=O;ACKRQXJAXGEOSV-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258325;MM258325;CNC(=N)CCCC(=N)N;XSIOGWOBWMCPQK-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258326;MM258326;C=C(C)CCCC(=O)NO;MXXIHKUNFYRNOJ-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258327;MM258327;CNC(=O)CCCC(C)=O;YIMVAENSGKTWEN-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258328;MM258328;C=NNCC(C)(C)CO;NSNBDGHXHOQAAV-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258329;MM258329;COC(=O)CCCC(=N)N;ZZFCXEZPRQXOHR-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258330;MM258330;COC(=O)CCCC(N)=O;WGWCCCBSMGNFOE-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258331;MM258331;C=C(C)CNCC(=C)CN;LOXISGDTPVQZEC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258332;MM258332;C=C(C)CNCC(=C)CF;ZPAFOLFGBDHNCR-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258333;MM258333;CCC(=O)CNCC(=N)N;GAEMWKOFFVRMDG-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258334;MM258334;CCC(=CC(N)=O)CO;FECUMRCGGJHTSJ-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258335;MM258335;CN=C(N)CNCC(C)=O;GOKHCPQTERAJOI-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258336;MM258336;CN(N)C(=O)OCCO;FSQKDHVXSZCTDC-UHFFFAOYSA-N;134.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258337;MM258337;C=C(F)CNCC(=O)OC;NBOGZYKYBLKSDC-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258338;MM258338;C=C(C)COCC(=C)CO;PLCAKBATHKITHH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258339;MM258339;C=C(CF)COCC(=N)N;DWRNFOKDZJTKOP-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258340;MM258340;C=C(CF)COCC(N)=O;JGHMOCQYNHCCJK-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258341;MM258341;C=C(F)COCC(=C)CO;JIZNXNKLEAQIDO-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258342;MM258342;C=C(C)COCC(=O)CC;MAVAMMJZADNKDG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258343;MM258343;C=C(C)COCC(=O)CF;DMUDFIGDONIGGA-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258344;MM258344;CCC(=O)COCC(=N)N;SRJNGLCZXXBPKM-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258345;MM258345;N=C(N)COCC(=O)CO;VVEXWAJWLRIQQO-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258346;MM258346;N=C(N)COCC(=O)CF;YWWUKTLFBKVNKE-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258347;MM258347;CCC(=O)COCC(N)=O;RVDZEDKFUNMTRO-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258348;MM258348;C=C(F)COCC(=O)CO;KHSPNHMTDJYEPB-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258349;MM258349;C=C(C)COCC(=N)NO;DVIAIYCGAUYXCJ-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258350;MM258350;CC(=O)COCC(=N)NO;TXBUQUJHIQENMC-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258351;MM258351;N=C(N)COCC(=N)NO;NQPGRMGUXSHGOB-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258352;MM258352;CN=C(N)COCC(N)=O;LYRIKUVZFOSQBX-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258353;MM258353;N=C(COCC(N)=O)NO;FWYJPJUDZZCXIJ-UHFFFAOYSA-N;147.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258354;MM258354;Cc1cc(=O)[nH]n(O)c1=O;WEUPIBQFYTXNCU-UHFFFAOYSA-N;142.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258355;MM258355;C=C(F)COCC(=N)NN;PPGVXYOEFUBDGN-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258356;MM258356;C=C(N=CNO)C(N)=O;YKEJSUDMCGJPSJ-UHFFFAOYSA-N;129.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258357;MM258357;C=C(C)COCC(=O)NO;DVLCFISURKSIHV-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258358;MM258358;CNC(=O)COCC(C)=O;BGEZKCOCUCJSEC-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258359;MM258359;CNC(=O)COCC(=N)N;KUAWMFVRMQRUQE-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258360;MM258360;N=C(N)COCC(=O)NO;RKEGJEKATMISPU-UHFFFAOYSA-N;147.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258361;MM258361;CNC(=O)COCC(N)=O;YTXRSDWKCKSVCX-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258362;MM258362;CNN(C(C)=O)C(N)=O;XIMMZQFSPMSOOI-UHFFFAOYSA-N;131.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258363;MM258363;NC(=O)COCC(=O)NO;YGDHNDJLGZXDMQ-UHFFFAOYSA-N;148.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258364;MM258364;O=c1nccnc(=O)[nH]1;NRVOGNBKOIEIHM-UHFFFAOYSA-N;125.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258365;MM258365;C=C(F)COCC(=O)NC;ZDSPNIHJHGEOTK-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258366;MM258366;C=C(COCC(=N)N)OC;MVGMQLCRBRVQGS-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258367;MM258367;C=C(COCC(N)=O)OC;LKLSYZXJQMICCK-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258368;MM258368;C=CC1(OC)CC1C(=O)O;XOJXXHCCLQEDFI-UHFFFAOYSA-N;142.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258369;MM258369;COC(=O)COCC(=N)N;FZVBWCRZMKVXEJ-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258370;MM258370;COC(=O)COCC(N)=O;BGDOLWFAQLJWPC-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258371;MM258371;C#CCONC(=O)CO;TXZUTYREPUHWAQ-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258372;MM258372;C=C(CN)CCNC(C)=N;KRJKZFWLLVVBAZ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258373;MM258373;CC1C(=N)N=C(N)C1=O;KTDQVCXFLKVJDG-UHFFFAOYSA-N;125.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258374;MM258374;C=C(CN)CCNC(C)=O;VLVNYGUEQHMHBO-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258375;MM258375;C=C(CO)CCNC(C)=O;XFNBYANXDIQMIL-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258376;MM258376;C=C(CC)CCNC(=N)N;MGZLRBDXEJXDQW-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258377;MM258377;C=C(CO)CCNC(=N)N;JYVIAPHQABCWQC-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258378;MM258378;C=C(CO)CCNC(N)=O;BJZCQFATXXAWLQ-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258379;MM258379;CCC(=O)CCNC(C)=O;DPFVVCYPDWRFJK-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258380;MM258380;CCC(=O)CCNC(=N)N;INAUJQAIBBGCSV-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258381;MM258381;CCC(=O)CCNC(N)=O;NOQAWNIKLYFTII-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258382;MM258382;N=C(N)NCCC(=N)NN;DYVJSEHHUNMLQX-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258383;MM258383;N=C(CCNC(N)=O)NO;XYCJNGMUYYTRMI-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258384;MM258384;CNC(=O)CCNC(N)=O;JNBNTQDQGHOQSU-UHFFFAOYSA-N;145.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258385;MM258385;C=C(CCNC(=N)N)OC;PHWFSMJTOIYYKW-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258386;MM258386;C=C(CCNC(N)=O)OC;CVSROZWMVABLPP-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258387;MM258387;COC(=O)CCN=C(C)N;CXJINXRBKCPKDP-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258388;MM258388;COC(=O)CCNC(C)=O;FDIFXCFYMLCGNA-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258389;MM258389;C=C(CC)CNNC(C)=N;ASSAXJBCKKPUQV-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258390;MM258390;NN=CCC(CO)CO;LDPYCBYUEFDSDQ-UHFFFAOYSA-N;132.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258391;MM258391;C=C(CN)CNNC(N)=O;KVIGVUMBNWXRMS-UHFFFAOYSA-N;144.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258392;MM258392;CCC(=O)CNNC(=N)N;PDYHTGCFAZYEDB-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258393;MM258393;N=C(N)NNCC(=O)CF;SERFGTIAQVRXER-UHFFFAOYSA-N;148.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258394;MM258394;CCC(=O)CNNC(N)=O;IMIJRAGGWWPXPU-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258395;MM258395;NC(=O)NNCC(=O)CO;IOGKEUUNYWBYEK-UHFFFAOYSA-N;147.13;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258396;MM258396;CNC(=N)CNNC(C)=N;BEMGFNFMVOGDDP-UHFFFAOYSA-N;143.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258397;MM258397;CNC(=N)CNNC(=N)N;HIYVEBALDIYAFL-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258398;MM258398;N=C(N)NNCC(=N)NN;UEEZJGWQIBTOOC-UHFFFAOYSA-N;145.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258399;MM258399;N=C(N)NNCC(=N)NO;QFNFRZRWSHIIMO-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258400;MM258400;CNC(=N)CNNC(N)=O;VCVUDEHTHUJMRN-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258401;MM258401;N=C(CNNC(N)=O)NN;DOFFNUXBTKSOPA-UHFFFAOYSA-N;146.15;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258402;MM258402;CNC(=O)CNN=C(C)N;IUOOIKGPQVAFBB-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258403;MM258403;C=NOCC(=CC)CO;CHMFCKWJJNRWKU-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258404;MM258404;CC(=O)NNCC(=O)NO;LWNZZVSEBZRJSA-UHFFFAOYSA-N;147.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258405;MM258405;CNC(=O)CNNC(=N)N;XAWSDUVMULFTRU-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258406;MM258406;N=C(N)NNCC(=O)NN;COPNQNPFAUXFOO-UHFFFAOYSA-N;146.15;-3.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258407;MM258407;N=C(N)NNCC(=O)NO;HORQQLKUHIDODN-UHFFFAOYSA-N;147.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258408;MM258408;CNC1(C#N)CC(C)(O)C1;LZZQKTWAFXFNCF-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258409;MM258409;NNC(=O)CNNC(N)=O;XDHPBFKIILJRAR-UHFFFAOYSA-N;147.14;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258410;MM258410;NC(=O)NNCC(=O)NO;ILNAWJJJJOICGH-UHFFFAOYSA-N;148.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258411;MM258411;COC(=O)CNN=C(C)N;HZLFJNYVHQYXOI-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258412;MM258412;C=C(CC)CONC(C)=O;VADAANXOFVSWRO-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258413;MM258413;C=C(CN)CONC(C)=O;JPUNVGSLHNEGJP-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258414;MM258414;CCC(=O)CONC(C)=O;RYTICDZYQDLWGZ-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258415;MM258415;CCC(=O)CONC(=N)N;ZTGMYKNOZIRELT-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258416;MM258416;N=C(N)NOCC(=O)CO;CUNBATMOXXHONI-UHFFFAOYSA-N;147.13;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258417;MM258417;NC(=O)NOCC(=O)CO;LHIYIJLEHOKBOP-UHFFFAOYSA-N;148.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258418;MM258418;CNC(=N)CONC(C)=N;CUYIXBLFNIHGDO-UHFFFAOYSA-N;144.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258419;MM258419;CC(=N)NOCC(=N)NN;KJJLMRILGHWQPD-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258420;MM258420;CC(=N)NOCC(=N)NO;CIJRLYNGDNGTFN-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258421;MM258421;CNC(=N)CONC(=N)N;IPGWMCLPJNXXEY-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258422;MM258422;N=C(N)NOCC(=N)NN;MYSPVVMRDMWONV-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258423;MM258423;N=C(N)NOCC(=N)NO;UNWXMKGSDIZSTO-UHFFFAOYSA-N;147.14;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258424;MM258424;CNC(=N)CONC(N)=O;BSQOWQWKFPLPCT-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258425;MM258425;N=C(CONC(N)=O)NN;YHJCEECETAPLIH-UHFFFAOYSA-N;147.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258426;MM258426;CNC(=O)CONC(=N)N;YCLKYRKMEULLOS-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258427;MM258427;N=C(N)NOCC(=O)NN;CVCSHCYQLMNFRM-UHFFFAOYSA-N;147.14;-2.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258428;MM258428;N=C(N)NOCC(=O)NO;XPWAVMODGAPHCU-UHFFFAOYSA-N;148.12;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258429;MM258429;CNC(=O)CONC(N)=O;YCRQVGZYTAQLNT-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258430;MM258430;NNC(=O)CONC(N)=O;SUVAMMDYYAUJDV-UHFFFAOYSA-N;148.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258431;MM258431;C=C(CONC(C)=O)OC;OZGZNVXMWBOVCY-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258432;MM258432;C=C(CONC(=N)N)OC;FXJHZKXEYYKBKY-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258433;MM258433;C=C(CONC(N)=O)OC;NIYYUEGCPDNBGS-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258434;MM258434;COC(=O)CONC(=N)N;YOCGSPOGGVEYCS-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258435;MM258435;COC(=O)CONC(N)=O;XRUZWMZNSJGRCL-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258436;MM258436;C=C(CC)CCOC(=N)N;PDRKCTNPPPWKSY-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258437;MM258437;C=C(CN)CCOC(N)=O;DVUSMBQNQRJEQD-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258438;MM258438;C=C(CO)CCOC(N)=O;ILKDEIUHZNPFSF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258439;MM258439;CCC(=O)CCOC(=N)N;YLQQMUOBACVZQU-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258440;MM258440;N=C(N)OCCC(=O)CO;VIYLXOZTFYJONR-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258441;MM258441;NC(=O)OCCC(=O)CO;VCLPPDFMFQFARG-UHFFFAOYSA-N;147.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258442;MM258442;NC(=O)OCCC(=O)CF;ZCDFMKBFFHFXOP-UHFFFAOYSA-N;149.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258443;MM258443;C=C(C)OCCC(=N)NC;BWSDMAYQGYZWKA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258444;MM258444;CN=C(N)CCOC(C)=O;VFCGGONNQHEGNA-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258445;MM258445;CNC(=N)CCOC(=N)N;BFBXWGSDAUCBFK-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258446;MM258446;N=C(CCOC(=N)N)NN;HIDFUWZDDBMLBZ-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258447;MM258447;N=C(CCOC(=N)N)NO;XGVSMUZIOMFSSP-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258448;MM258448;N=C(CCOC(N)=O)NN;XMWZKBPJPMSGJP-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258449;MM258449;N=C(CCOC(N)=O)NO;BJQPBGRLTPTOMK-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258450;MM258450;C=NOCC(F)=CC(N)=O;MLQHCWPDCDYXMF-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258451;MM258451;CNC(=O)CCOC(=N)N;ADKSFZROUUMKGX-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258452;MM258452;CNC(=O)CCOC(N)=O;OZLMKUPMWBBONR-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258453;MM258453;C=C(CCOC(C)=O)OC;YUTWEZYAQBHTAJ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258454;MM258454;COC(=O)CCOC(N)=O;NUMFRTMGFQZTNE-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258455;MM258455;CC(=O)CCN=C(N)CO;BTEHRPUGRBCKAC-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258456;MM258456;CCC(=N)NCCC(=N)N;HIMYZPKUOYCSTC-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258457;MM258457;N=C(N)CCNC(=N)CN;GHFMPYYSIUFTNJ-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258458;MM258458;N=C(N)CCNC(=N)CO;QPIMWCIYKCBKLW-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258459;MM258459;N=C(N)CCNC(=N)CF;UDNHNOLCNNAURU-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258460;MM258460;CCC(=O)NCCC(C)=O;PPDCFDMNNFUXBY-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258461;MM258461;CC(=O)CCNC(=O)CF;WQYCXMOQIYCDTJ-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258462;MM258462;CC#CCONC(=O)CO;GGQPTJIFZQXJDZ-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258463;MM258463;C=C(F)CCNC(=O)CO;BFVLARGFQYSABU-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258464;MM258464;C=C(C)CCNC(=N)NC;IFDGYIWCWFWUDA-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258465;MM258465;C=C(C)CCNC(=N)NO;ODUBKJKETCOPHI-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258466;MM258466;CNC(=N)NCCC(C)=O;HKYVIQOVHFAAQU-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258467;MM258467;CC(=O)CCNC(=N)NO;ARYMVBRVVJRJPA-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258468;MM258468;CNC(=N)NCCC(=N)N;QJVPQRDJAJLNAX-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258469;MM258469;N=C(N)CCNC(=N)NN;IKWNEAOPEYIGIN-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258470;MM258470;N=C(N)CCNC(=N)NO;YOLNBGRYKAGGNL-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258471;MM258471;CNC(=N)NCCC(N)=O;IIICDTMDXDMNLX-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258472;MM258472;C=C(F)CCNC(=N)NC;PPLVFSKIMMEFBK-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258473;MM258473;C=C(F)CCNC(=N)NN;KDSLDLJOUCUMHQ-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258474;MM258474;C=C(F)CCNC(=N)NO;NBZWMOBUUHZSAC-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258475;MM258475;C=C(C)CCNC(=O)NC;LIASCPRBQZIIIE-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258476;MM258476;CNC(=O)NCCC(C)=O;GUQBXHTYKRVNFV-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258477;MM258477;CC(=O)CCNC(=O)NO;QMRGFHIJEQDBMS-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258478;MM258478;N=C(N)CCNC(=O)NO;VOQCGORRXWRTRS-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258479;MM258479;C=C(C)C1(O)CC1C(=O)O;CAEUFCISRZONKX-UHFFFAOYSA-N;142.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258480;MM258480;C=CCC(O)CC(C)=NN;CKFQMLNVHOWDFA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258481;MM258481;COC(=N)NCCC(C)=O;IYZKGSVQIQTONR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258482;MM258482;COC(=N)NCCC(=N)N;CTIMGFWRNSENCN-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258483;MM258483;COC(=O)NCCC(C)=O;OQSRXHWEFTXJKK-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258484;MM258484;COC(=O)NCCC(=O)O;IMMVCLVAEGHEIC-UHFFFAOYSA-N;147.13;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258485;MM258485;C=NOC(C#N)CC(N)=O;SFCWSLAUJVJKAU-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258486;MM258486;N=C(N)CNNC(=N)CO;PBDQIFWCNBUQJO-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258487;MM258487;C=C(F)CNNC(=N)CC;CLOXCAIYCOHILZ-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258488;MM258488;NC=CC(=NN)OC(N)=O;HEIOWGYSMNRSHK-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258489;MM258489;NC(=O)CNNC(=O)CO;MFNRTZUVWHRLSU-UHFFFAOYSA-N;147.13;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258490;MM258490;C=C(F)CNNC(=O)CC;GTAFACRYCYBTQH-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258491;MM258491;CNC(=N)NNCC(C)=O;KYWPADMYWAXFMD-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258492;MM258492;CNC(=N)NNCC(=N)N;HCYLRIUNERRCQF-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258493;MM258493;N=C(N)CNNC(=N)NN;HMAQBPAMPMPBGX-UHFFFAOYSA-N;145.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258494;MM258494;N=C(N)CNNC(=N)NO;QKOAZOAYBXZAQD-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258495;MM258495;N=C(NO)NNCC(N)=O;DKHAOZRFLFDHSE-UHFFFAOYSA-N;147.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258496;MM258496;CNC(=O)NNCC(C)=O;DFTLQODXCKBFLB-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258497;MM258497;CC(=O)CNNC(=O)NO;LSTJVVPHAPNQRZ-UHFFFAOYSA-N;147.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258498;MM258498;CNC(=O)NNCC(=N)N;ZTCWNJMNGDHQPN-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258499;MM258499;N=C(N)CNNC(=O)NO;LQGJTTSWHSTKDG-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258500;MM258500;CCCON=COC(N)=O;ZBNXNTCEPRTFSI-UHFFFAOYSA-N;146.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258501;MM258501;NNC(=O)NNCC(N)=O;AJCCHKRLJAKMGA-UHFFFAOYSA-N;147.14;-2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258502;MM258502;NC(=O)CNNC(=O)NO;RQMBDBUHURQNFC-UHFFFAOYSA-N;148.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258503;MM258503;CCNC(=O)CNCC#N;OAJKDINKGUNDHD-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258504;MM258504;N=C(N)CONC(=N)CO;FYDPTDGXNQSWJG-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258505;MM258505;N=C(N)CONC(=N)CF;WMCORZHNODXVFO-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258506;MM258506;CC(F)C(=O)N(C=N)C=N;QLSAUVUUPHNEQC-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258507;MM258507;COCC(C)(O)CC(=O)O;VCBDUFFLDHXECV-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258508;MM258508;C=C(C)CONC(=O)CC;WEXSWMSVWMRIPM-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258509;MM258509;CCC(O)(CO)CC(=O)O;DHWOFZCLRKVPAX-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258510;MM258510;C=C(C)CONC(=N)NC;RYYWFOQYPTUYLW-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258511;MM258511;CC(=O)CONC(=N)NO;UYLFOVIXWLHHBU-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258512;MM258512;CNC(=N)NOCC(=N)N;YZPDOBZPMINVEY-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258513;MM258513;N=C(N)CONC(=N)NN;BQRILSXXGIXEAF-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258514;MM258514;N=C(N)CONC(=N)NO;ZKBAYFVZVURUGR-UHFFFAOYSA-N;147.14;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258515;MM258515;N=C(NN)NOCC(N)=O;CKGCBHWZTVOIOH-UHFFFAOYSA-N;147.14;-2.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258516;MM258516;C=C(F)CONC(=N)NN;KUZFVGLPLBPVGF-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258517;MM258517;C=C(F)CONC(=N)NO;IQJPVVIYBFBYHR-UHFFFAOYSA-N;149.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258518;MM258518;CNC(=O)NOCC(=N)N;IWTPWAJOUYJRBK-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258519;MM258519;N=C(N)CONC(=O)NN;NCHSLGBGTLUHHK-UHFFFAOYSA-N;147.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258520;MM258520;N=C(N)CONC(=O)NO;VMTBYDOHYLJFOA-UHFFFAOYSA-N;148.12;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258521;MM258521;CNC(=O)NOCC(N)=O;QOCVPTBLAATTAD-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258522;MM258522;NNC(=O)NOCC(N)=O;RYCSQANNVHIXOC-UHFFFAOYSA-N;148.12;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258523;MM258523;NC(=O)CONC(=O)NO;IQPZSDPCAYCNGR-UHFFFAOYSA-N;149.11;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258524;MM258524;CC(CC(O)CO)C(=O)O;TUIQTQIQTRRTSK-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258525;MM258525;CC1(CO)CC1C(=O)O;UKDILGCAUCEKCX-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258526;MM258526;C=C(F)CONC(=O)NN;JYMNDAJGAQFUIM-UHFFFAOYSA-N;149.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258527;MM258527;C=C(F)CONC(=O)NO;VMSYFDYZDMTMJS-UHFFFAOYSA-N;150.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258528;MM258528;COC(=N)NOCC(=N)N;HZXMCEROJPDQFJ-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258529;MM258529;COC(=O)NOCC(N)=O;REFLULHGHPMIFL-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258530;MM258530;C=C(C)CCOC(=C)CO;VFJRBIAYWNWUQS-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258531;MM258531;C=C(CO)OCCC(=N)N;ITDNNHBWHWSIDW-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258532;MM258532;C=C(CO)OCCC(N)=O;MZIOHTJKAGGTCV-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258533;MM258533;CCC(=O)OCCC(=N)N;ZLIIVOIULWIWRH-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258534;MM258534;N=C(N)CCOC(=O)CO;UGAQGOMJDHJEHI-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258535;MM258535;CCC(=O)OCCC(N)=O;QNWQZVBLECCXAG-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258536;MM258536;N#Cc1nnc(O)n1O;WHOLJNNUZJTVKD-UHFFFAOYSA-N;126.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258537;MM258537;CNC(=N)OCCC(=N)N;YBGMXFFNUFQBSP-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258538;MM258538;N=C(N)CCOC(=N)NN;LIVUFPFRHMMEAO-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258539;MM258539;N=C(N)CCOC(=N)NO;USQTWKGKUZMFFY-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258540;MM258540;C=C(F)CCOC(=N)NC;WOQHBSKKVVHXKY-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258541;MM258541;CC(=NOCC=O)C(N)=O;VTPPDXHKDFVCKD-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258542;MM258542;CC(=O)CCOC(=O)NO;XZEMTUHDJIFSFA-UHFFFAOYSA-N;147.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258543;MM258543;CNC(=O)OCCC(=N)N;LXBFYUZBXKJRPP-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258544;MM258544;N=C(N)CCOC(=O)NN;CBXMOPPPQQEYGL-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258545;MM258545;CCOC(C=NN)C(N)=O;JMBJQUCQRBAIGG-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258546;MM258546;CNC(=O)OCCC(=O)O;GLUKIZNIURVODB-UHFFFAOYSA-N;147.13;-0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258547;MM258547;CC(=O)C(=NO)C(C)(C)F;FPOSBRSSJCHYJL-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258548;MM258548;O=C(C=NO)NOCCO;GIHZSYIVJKFWJS-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258549;MM258549;C=C(F)CCOC(=O)NC;KNHPUOKQLBFDLA-UHFFFAOYSA-N;147.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258550;MM258550;C=C(C)CCOC(=O)OC;DEMCSNGAPYFIHF-UHFFFAOYSA-N;144.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258551;MM258551;C=C(C)OCOC(=C)CC;DSBRHLHZXYCGOX-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258552;MM258552;C=C(C)OCOC(=C)CO;LEXZMCWXGRNDOI-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258553;MM258553;C=C(C)OCOC(=C)CF;ITQYLYFXDGMUDJ-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258554;MM258554;C=C(CO)OCOC(=N)N;FCXDEBZPRFJXJP-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258555;MM258555;C=C(CN)OCOC(N)=O;LREMKGUHMLAATD-UHFFFAOYSA-N;146.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258556;MM258556;C=C(CO)OCOC(N)=O;LFGSAYIAECXXAL-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258557;MM258557;C=C(C)OCOC(=O)CO;HZWNZNCROJKGEH-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258558;MM258558;C=C(C)OCOC(=O)CF;HPOFPKWHAOFCHB-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258559;MM258559;CC(=O)OCOC(=O)CO;UAGPKUCWHBKBLC-UHFFFAOYSA-N;148.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258560;MM258560;N=C(N)OCOC(=O)CO;YJVLJYMJBTXZKO-UHFFFAOYSA-N;148.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258561;MM258561;NC(=O)OCOC(=O)CO;SGMXBEWZUBWHQR-UHFFFAOYSA-N;149.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258562;MM258562;C=C(C)OCOC(=N)NC;KPSUGVFJADUNAX-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258563;MM258563;CNC(=N)OCOC(C)=O;XSFUYODRTCGPDZ-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258564;MM258564;N=C(N)OCOC(=N)NN;JGXXFCDOTZSATI-UHFFFAOYSA-N;147.14;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258565;MM258565;N=C(N)OCOC(=N)NO;LZDXDGQOQCCAMJ-UHFFFAOYSA-N;148.12;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258566;MM258566;C=C(C)OCOC(=O)NC;RPOHVYIUOUFFBW-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258567;MM258567;C=C(CO)C(C)(C#N)NC;MBHYLFHZILWLPH-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258568;MM258568;CNC(=O)OCOC(C)=O;FHNUZOXYHIRWPT-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258569;MM258569;CNC(=O)OCOC(=N)N;BWGHRVXBBDZAST-UHFFFAOYSA-N;147.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258570;MM258570;N=C(N)OCOC(=O)NN;NVXBRRSIEBJUMV-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258571;MM258571;CNC(=O)OCOC(N)=O;VGSTYQJJFOJTQT-UHFFFAOYSA-N;148.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258572;MM258572;NNC(=O)OCOC(N)=O;PZGWQFOGRZACJG-UHFFFAOYSA-N;149.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258573;MM258573;COC(=O)OCOC(=N)N;GHJNKJNXHPBEAX-UHFFFAOYSA-N;148.12;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258574;MM258574;C=CC(=C)CCCC(=C)C;VYBREYKSZAROCT-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258575;MM258575;C=C(C)CCCC(=C)C=O;HPVIHPYQGWWAJH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258576;MM258576;C=CC(=C)CCCC(C)=O;OKLKWCOBZVUYBD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258577;MM258577;C=C(C=O)CCCC(C)=O;XTDOVQOTJHAKCO-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258578;MM258578;CC1(NC(C#N)C#N)CC1;NVFXRXNSNIGIES-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258579;MM258579;COC(C#CC(F)F)=NN;ZOEPOWVCJAPVBV-UHFFFAOYSA-N;148.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258580;MM258580;C=C(C#N)CCCC(N)=O;GKFKAVYRJGHREI-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258581;MM258581;C=CC(=C)CCCC(=O)O;SYGPCXRETLDZFX-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258582;MM258582;CC(C)(CNC=O)C(=O)O;AZVCJEUCBSKFGC-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258583;MM258583;C=C(C#N)CCCC(=O)O;SXYIFJSTYDNSOF-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258584;MM258584;C=C(F)CCCC(=C)C=O;AXWSKPNVHCSURO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258585;MM258585;C=CC(=O)CCCC(C)=O;FJENJICHKAAWLU-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258586;MM258586;CC(=O)CCCC(=O)C=O;UYMHIFBMWGFMEO-UHFFFAOYSA-N;142.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258587;MM258587;CCC(=N)N(N)C(=O)NC;LOWIRTUKHSKQNN-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258588;MM258588;C=CC(=O)CCCC(=C)F;MYKHFIHUYVPEQM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258589;MM258589;C=C(C)CNCC(=C)C=O;QFMLRGQNUHJWRO-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258590;MM258590;C=CC(=C)CNCC(=N)N;LEHGZHAAGGIMFT-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258591;MM258591;C=C(F)CNCC(=C)C#N;YOXYBCMTOAVIFN-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258592;MM258592;C=C(C=O)COCC(C)=O;NUPRTZODLLMMKF-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258593;MM258593;C=C(C#N)COCC(C)=O;BONBPALLWBYMJQ-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258594;MM258594;C=C(C=O)COCC(=N)N;JCGCWBTUNKDSNG-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258595;MM258595;C=C(C=O)COCC(N)=O;KCAJMDIDKGERPT-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258596;MM258596;C=C(C#N)COCC(N)=O;WOEIQPFVGKAQSJ-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258597;MM258597;N#CC(=O)COCC(=N)N;PUKXUPAJKKVIAR-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258598;MM258598;C=CC(=O)COCC(N)=O;XFDLKQLCMNVTBJ-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258599;MM258599;NC(=O)C(F)(C=NO)CO;WIAIWYJDTGYFLE-UHFFFAOYSA-N;150.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258600;MM258600;C=CC(=O)COCC(=C)F;HIQJJGZPZSQGLS-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258601;MM258601;C=C(C=O)CCNC(C)=N;KFBVUTHMTQTDCP-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258602;MM258602;C=C(C=O)CCNC(C)=O;SUPLMCVOZAYGJT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258603;MM258603;C=C(C=O)CCNC(=N)N;YIOCSJFFUXJGKV-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258604;MM258604;C=C(C#N)CCNC(=N)N;OGQWTTILZUEOLW-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258605;MM258605;C=C(C=O)CCNC(N)=O;XBLTYKXQTIDESK-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258606;MM258606;C=C(C#N)CCNC(N)=O;KHDQBLFSMZVNFH-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258607;MM258607;C=CC(=O)CCNC(C)=N;WCILMICMAAHNQC-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258608;MM258608;C=CC(=O)CCNC(C)=O;WNQQSQQASDVKMD-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258609;MM258609;CC(=O)NCCC(=O)C#N;NYCRFXBHZZLEIZ-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258610;MM258610;C=CC(=O)CCNC(=N)N;MYDBBGPMUUULAU-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258611;MM258611;N=C(N)NCCC(=O)C=O;QZSDVMTUDPRWQI-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258612;MM258612;C=CC(=O)CCNC(N)=O;MTEYMGROSHZMIK-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258613;MM258613;NC(=O)NCCC(=O)C=O;VPQXERSGTACYHG-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258614;MM258614;C=CC(=C)CNNC(C)=N;WLQLCAHDEXXOKH-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258615;MM258615;CCN(C)C(=N)C(F)C#N;ZMEHQTXGPLHGFR-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258616;MM258616;C=C(CO)C(=C)N(N)C=O;VZGJPKBGDGPEFI-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258617;MM258617;C=CC(=O)CNNC(N)=O;YWIHWOHTFGVVPL-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258618;MM258618;N#CC(=O)CNNC(N)=O;KLHINQFCSKXVIU-UHFFFAOYSA-N;142.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258619;MM258619;C=CC(=C)CONC(C)=O;OJCAWRMJGGUDIZ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258620;MM258620;C=CC(=C)CONC(=N)N;UYHXVUROOIFFMM-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258621;MM258621;C=C(C=O)CONC(=N)N;GMJHVXZHLUEKRB-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258622;MM258622;C=C(C#N)CONC(=N)N;UHLJMQKXJVFHTD-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258623;MM258623;C=C(C=O)CONC(N)=O;MHNVVSRAQDHQCU-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258624;MM258624;C=C(C#N)CONC(N)=O;XQLCRVFEOUFBST-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258625;MM258625;CC(=N)NOCC(=O)C=O;RHTPFNQMDKITDE-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258626;MM258626;CC(=O)NOCC(=O)C=O;XHDWBJVWOJNWHJ-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258627;MM258627;C=CC(=O)CONC(=N)N;IYJSIFQVKGXDCN-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258628;MM258628;C=CC(=O)CONC(N)=O;AHXMGWPUSXNTQF-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258629;MM258629;NC(=O)NOCC(=O)C=O;AWWRFYPKSWNFCT-UHFFFAOYSA-N;146.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258630;MM258630;C=C(C=O)CCOC(=C)C;DEBZDYIJGRPQMS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258631;MM258631;C=C(C=O)CCOC(C)=O;FFMRZGOBLFVKQY-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258632;MM258632;C=C(C#N)CCOC(C)=O;AQGQKBHKXPHENG-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258633;MM258633;C=CC(=C)CCOC(N)=O;SUGFFPQMDUGIRC-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258634;MM258634;C=C(C=O)CCOC(N)=O;YTJFYQFOAWAGIC-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258635;MM258635;C=CC(=O)CCOC(C)=O;ZTUQONZTUVRBCW-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258636;MM258636;CC(=O)OCCC(=O)C=O;XKVMHIWFVZJINA-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258637;MM258637;N=C(N)OCCC(=O)C=O;WAYMETRWNMIACV-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258638;MM258638;C=CC(=O)CCOC(N)=O;BKHPPSBOJHWBCW-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258639;MM258639;NC(=O)OCCC(=O)C=O;JEYWGFYDNDZBRK-UHFFFAOYSA-N;145.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258640;MM258640;N#CC(=O)CCOC(N)=O;IOPGHTDCKATBCR-UHFFFAOYSA-N;142.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258641;MM258641;CN=C(C)N(N)C(=O)NC;IICOQMYDBUVWRA-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258642;MM258642;C=CC(=N)NCCC(=N)N;UALGJNXLQSSTKX-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258643;MM258643;C=C(CO)C(N)=C(C)C#N;CMGQJNQKYMRCDC-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258644;MM258644;Nn1cc(F)c(O)n1;ZWMZKQULJKZIJW-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258645;MM258645;Nn1c(O)nc(=O)[nH]c1=O;QXKHSTPGZNCWGC-UHFFFAOYSA-N;144.09;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258646;MM258646;C=C(F)CCNC(=N)C#N;SNXJRYFSPIPXSG-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258647;MM258647;C=C(F)CCNC(=O)C=O;QLZVKMRIEFJLDB-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258648;MM258648;C=CC(=N)NNCC(=C)C;ZLVXKQVIPBYUQP-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258649;MM258649;C=CC(N)=NNCC(C)=O;BEJFRFDPBFSPFN-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258650;MM258650;N=C(N)CNN=C(N)C=O;ARKJRMCFBMDDTR-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258651;MM258651;C=CC(N)=NNCC(N)=O;GPXGLYUMEFCWIE-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258652;MM258652;NN=COC(=O)OCCO;HFFNPQZUZKZQPV-UHFFFAOYSA-N;148.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258653;MM258653;C=C(C)CNNC(=O)C=O;FWGBQNSNVNDGJG-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258654;MM258654;C=C(C)CNNC(=O)C#N;XTPIQBYDGYMDFD-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258655;MM258655;CCN(N)C(=O)OCCO;NMQKUAVJSUWLAP-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258656;MM258656;N=C(N)CON=C(N)C=O;AKSDYHPZNKTSTB-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258657;MM258657;CNN(C)C(=O)OCCO;IOKFFLNVLHTTOQ-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258658;MM258658;CN(C=N)C(=O)OCCO;LWTNGBZJYMIIQJ-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258659;MM258659;C#CCc1n[nH]c(=NN)o1;BBBGJJRZBRCSDU-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258660;MM258660;C#CCNC=CC(=O)O;ICCIGMCAMQMYBA-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258661;MM258661;C=CC(=N)NOCC(=C)F;LRPOTTLHUMBKAQ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258662;MM258662;N=CN(N)C(=O)OCCO;XSKGTTRVQSLXSI-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258663;MM258663;CCNc1cc(O)[nH]n1;WHVYXXPSMINRMZ-UHFFFAOYSA-N;127.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258664;MM258664;C=CC(=O)NOCC(=N)N;RHZYHHNMTHCMMA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258665;MM258665;C=CC(=O)NOCC(N)=O;GQBMRETWSQYJPA-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258666;MM258666;CNc1n[nH]c(O)c1C;VDKUDOMLYKUQCY-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258667;MM258667;CN=c1[nH]ncc(=NN)o1;GRURBXLDGLPHHD-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258668;MM258668;Cc1c(O)[nH]n(O)c1=NN;NCDPIAGZSUHGPP-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258669;MM258669;C=C(C#N)OCCC(=N)N;WVZYJRWBJAXVCJ-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258670;MM258670;O=c1cn[nH]c(=O)c(O)n1;MZRFMUDPDQYXCB-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258671;MM258671;C=C(F)CCOC(=C)C#N;URDPUICDBPPTDT-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258672;MM258672;C=CC(=O)OCCC(C)=O;ILAOMIUYWLLLFG-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258673;MM258673;CC(=O)CCOC(=O)C#N;KFPDAUJVCLUDNM-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258674;MM258674;N#CC(=O)OCCC(=N)N;IEJYNRGNTDLLFR-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258675;MM258675;N#CC(=O)OCCC(N)=O;JKFNCOVIRGBDTK-UHFFFAOYSA-N;142.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258676;MM258676;Cc1cnc(=O)[nH]c(=O)n1;HVRQTOIDGYZKDD-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258677;MM258677;C=C(F)CCOC(=O)C=O;LKNUSQVXGJMXTI-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258678;MM258678;C=C(F)CCOC(=O)C#N;BBTIFCFBKFMUQS-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258679;MM258679;C=C(C)OCOC(=C)C=O;CRZFAKICEFTDBY-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258680;MM258680;C=C(C)OCOC(=C)C#N;SSKVRXVONFVVRB-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258681;MM258681;C=C(C=O)OCOC(=N)N;WQGSZLVGVNOGFQ-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258682;MM258682;C=C(C#N)OCOC(=N)N;UVEYQWAHZGXIEV-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258683;MM258683;C=C(C)OCOC(=O)C=O;DAOLXNQOYNQNMA-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258684;MM258684;C=C(C)OCOC(=O)C#N;UNRGNVRWQZTGHP-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258685;MM258685;CC(=O)OCOC(=O)C=O;DIOVBHTUHUUROP-UHFFFAOYSA-N;146.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258686;MM258686;N=C(N)OCOC(=O)C=O;QGIMMBRNPDIIGL-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258687;MM258687;N#CC(=O)OCOC(=N)N;MSRRJWOAWRGZSW-UHFFFAOYSA-N;143.1;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258688;MM258688;NC(=O)OCOC(=O)C=O;JFWJQIFWADZTED-UHFFFAOYSA-N;147.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258689;MM258689;C#CC(=C)CCCC(=C)C;IUERUCQLBLHLCT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258690;MM258690;C#CC(=C)CCCC(C)=O;YLOKNWWTPCJISU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258691;MM258691;C#CC(=C)CCCC(=N)N;WETPBODTYYBPMR-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258692;MM258692;C#CC(=O)CCCC(=N)N;LYIQMAHLGQGQOE-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258693;MM258693;C#CC(=O)CCCC(=C)F;BBTKWYYWMCLMJO-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258694;MM258694;C#CC(=C)CNCC(=C)C;KEYIUDQELUDQKD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258695;MM258695;C#CC(=C)COCC(=N)N;XMILHQQBKGVDSE-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258696;MM258696;C#CC(=C)COCC(N)=O;NHJCSFWJSPIESZ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258697;MM258697;C=CC1(O)C(C)C1C(=O)O;UVADKGPREYSJBZ-UHFFFAOYSA-N;142.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258698;MM258698;C#CC(=O)COCC(C)=O;HDSKLOFXVGFLNJ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258699;MM258699;C#CC(=O)COCC(=N)N;GIUBZNCUIBCSEL-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258700;MM258700;C#CC(=O)COCC(N)=O;JKWYHTSLBQABGE-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258701;MM258701;CCC(F)C(CO)C(=O)O;ILOCJYHGGKALOT-UHFFFAOYSA-N;150.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258702;MM258702;C#CC(=C)CCNC(C)=O;ZDWQOFCPFHEXPC-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258703;MM258703;C#CC(=C)CCNC(=N)N;YMZRXVMRUFUHNN-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258704;MM258704;C#CC(=O)CCNC(C)=N;UZUGGRQAHFBDTC-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258705;MM258705;C#CC(=O)CCNC(C)=O;RLAULRRFEMNMFK-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258706;MM258706;C#CC(=O)CNNC(N)=O;CAVUTIONXZVEPA-UHFFFAOYSA-N;141.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258707;MM258707;C#CC(=C)CONC(=N)N;JFGOFGAHAFMWOF-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258708;MM258708;C#CC(=C)CONC(N)=O;AOZUKSFXMPENCH-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258709;MM258709;C#CC(=O)CONC(=N)N;PLKSCRABDZZWHS-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258710;MM258710;C#CC(=O)CONC(N)=O;XJTKRZVQCFGXSZ-UHFFFAOYSA-N;142.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258711;MM258711;C#CC(=C)CCOC(C)=O;SKIQPJFSYPDJAM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258712;MM258712;C#CC(=C)CCOC(N)=O;GAFORKCRXGHPAJ-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258713;MM258713;C#CC(=O)CCOC(C)=O;DFMCEMQNOPQVAU-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258714;MM258714;C#CC(=O)CCOC(N)=O;FTRAGRVJKJSJRW-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258715;MM258715;C#CC(N)=NCCC(N)=O;RYUCGNSQIOPKFO-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258716;MM258716;C#CC(=O)NCCC(=N)N;FSIKHATUDYGWEE-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258717;MM258717;CNC(=O)NCCC(=O)O;OVCTUNWIRUAKAI-UHFFFAOYSA-N;146.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258718;MM258718;C#CC(=N)NNCC(=N)N;CWHOAWBGBDGNFI-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258719;MM258719;NN(C=O)C(=O)OCCO;MNFUTTPTTZDIJN-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258720;MM258720;C#CC(=N)NOCC(=N)N;CIKZRBSJJAFWSR-UHFFFAOYSA-N;140.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258721;MM258721;N#CCCNCC(=O)CF;VYGCLFJFPBTJCG-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258722;MM258722;Cc1c(F)c(O)nn1O;VRFCWMLDQAGLGI-UHFFFAOYSA-N;132.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258723;MM258723;Nn1nnc(=O)[nH]c1=O;VTAXCYJPUGBEKW-UHFFFAOYSA-N;129.08;-2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP5";;;;;;;-3.17;;-10.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258724;MM258724;C#CC(=C)OCCC(=C)C;JLKFMQWLESBQCI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258725;MM258725;C#CC(=C)OCCC(C)=O;VVTJAIIFLWIMKZ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258726;MM258726;C#CC(=O)OCCC(=C)C;NAIZFYLTUBXICS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258727;MM258727;C#CC(=C)OCOC(=C)C;FTZGHJQWCUEMCX-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258728;MM258728;C#CC(=C)OCOC(C)=O;KIZIXEFJTUBEFB-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258729;MM258729;C#CC(=C)OCOC(=N)N;QQPZHZMMLJCUAP-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258730;MM258730;C#CC(=O)OCOC(=C)C;OZZMDZXLVIYLPT-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258731;MM258731;C#CC(=O)OCOC(N)=O;RKFWAADSGJURMM-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258732;MM258732;CC=C(C)CCCC(C)C;ADGIRGGMVLTMJM-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258733;MM258733;CC(=CF)CCCC(F)F;WFKUZOFSKUHQGA-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258734;MM258734;CC(CCCC(C)N)=NO;RSDPEBHBFJBWPX-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258735;MM258735;CC(CCCC(C)F)=NN;QLWASZVURUKCHO-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258736;MM258736;CC=C(C)CNCC(C)C;ONJNHTRKYQXUNK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258737;MM258737;CC(=CF)CNCC(C)C;CCTXENLOBWXGBL-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258738;MM258738;CC=C(C)CNCC(C)N;HSHVJFQIWGFKTH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258739;MM258739;CC(=CF)CNCC(C)O;SSSJGPULNOWPDI-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258740;MM258740;CC=C(C)CNCC(C)F;GIIKFZLPJOPPHC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258741;MM258741;CC(=CF)CNCC(F)F;WHDFWVWWAFMUAD-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258742;MM258742;CC=C(F)CNCC(C)N;BILWQTOKIAQZCD-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258743;MM258743;CC(F)CNCC(F)=CF;PLZCNVZBZRSSDA-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258744;MM258744;CC(CNCC(F)F)=NN;XEPVSTXCFFBBSX-UHFFFAOYSA-N;151.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258745;MM258745;CC(CNCC(F)F)=NO;ABVODIALQUOUOY-UHFFFAOYSA-N;152.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258746;MM258746;CC(COCC(C)C)=NN;QVEUCGJKMDZGIR-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258747;MM258747;CC(COCC(C)N)=NO;HKURFITUUAWAPN-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258748;MM258748;CC=C(C)CCNC(C)C;TXCBTCVLYXXSRD-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258749;MM258749;CC(=CF)CCNC(C)C;ZXRWLCTWBUMEQG-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258750;MM258750;CC=C(F)CCNC(C)C;YWDXGNJMJBNWFU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258751;MM258751;CC(C)NCCC(F)=CF;VNMSEVQAXBBIDD-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258752;MM258752;CC(=NCCC(C)N)NO;DGAWCRQCHWGVIK-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258753;MM258753;CN=C(C)NCCC(C)O;WXDDVSDQOCKQKY-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258754;MM258754;CC(=NCCC(C)O)NN;HBMUNWRAEHUBDE-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258755;MM258755;CC(=NCCC(C)O)NO;QUHHEPYPTOUKGK-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258756;MM258756;CC(=NCCC(C)F)NN;KWNLRSSTDMPYFT-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258757;MM258757;CC(=NN)NCCC(F)F;XLKLIQWYAZRMPN-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258758;MM258758;CNC(=O)N(CCO)NC;BGQOCVGAQGEMDK-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258759;MM258759;CC(=NOCC(C)N)NO;TXDHQURBQKAXEO-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258760;MM258760;C=C(CO)C(C=NN)=CF;NALPMNHAAOUOBZ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258761;MM258761;CC(=NOCC(C)F)NN;GZGSBUWMUXIIFH-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258762;MM258762;C#CCC(CO)NCC#N;RKASCQWBKLAXPN-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258763;MM258763;NN=CNC(=NN)C(N)=O;ZFPJXLJOXUQYRC-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258764;MM258764;CC(=NO)OCCC(C)O;KULBQRDKYQPZDW-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258765;MM258765;Cc1c(CO)cc(N)n1N;GLELZQIAVNLEQS-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258766;MM258766;CC(=NO)OCCC(F)F;QGIXYHZBGLUUQQ-UHFFFAOYSA-N;153.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258767;MM258767;CC(=CF)CCCN(C)C;DKHXANSKACQAHG-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258768;MM258768;CC(=NCCN(C)C)NO;KTBMMFWWPMFOGI-UHFFFAOYSA-N;145.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258769;MM258769;CC=C(C)OCCN(C)C;MLBNBZDKVVREKD-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258770;MM258770;CC(=CF)OCCN(C)C;HOXCWGYIRUFXAM-UHFFFAOYSA-N;147.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258771;MM258771;CC(=O)CCCC(C)=CF;BQZVFSCBLXKMFB-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258772;MM258772;CON=CCC(CO)CO;MEADFPBQRAGGFN-UHFFFAOYSA-N;147.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258773;MM258773;CC(=CF)CCCC(=O)O;OUICVGLMEKJWTG-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258774;MM258774;CC=NOCC(=CC)CO;FSNBLWFRPAJSRF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258775;MM258775;NC(=O)CCCC(F)=CF;TXNRPYPSPGNURW-UHFFFAOYSA-N;149.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258776;MM258776;CC=C(F)CCCC(=O)O;DLRAYUQPFJUJCK-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258777;MM258777;CC(CCCC(N)=O)=NO;UQUUWIQGMCJZHQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258778;MM258778;CNn1cc(F)c(O)n1;AMKDIXIOCOSTHK-UHFFFAOYSA-N;131.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258779;MM258779;C=C(C)CNCC(C)=CC;LVEQHSULDYQYLC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258780;MM258780;C=C(C)CNCC(C)=CF;FMBNUBZYILOJMA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258781;MM258781;CC(=CF)CNCC(=N)N;DQVMHPDIEYTNGG-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258782;MM258782;C=NOC(C)C(=CC)CO;XUKUBUCVTZSNDD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258783;MM258783;CC=C(C)COCC(C)=O;OMSNGAOIKWJWDW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258784;MM258784;N=C(N)COCC(F)=CF;WHZZSARFMJHGTQ-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258785;MM258785;CC(COCC(=N)N)=NO;OQKJAJQUOJXBBU-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258786;MM258786;CC(COCC(N)=O)=NO;LUBCLQHPQHQJEB-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258787;MM258787;Cn1nc(O)oc1=NN;YYUNFTQVYWSTDI-UHFFFAOYSA-N;130.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258788;MM258788;CC(=O)NCCC(C)=CF;ZJGCJEVYEKAGNN-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258789;MM258789;CC=C(C)CCNC(=N)N;KOSDXQVNTDGWIJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258790;MM258790;CC=C(C)CCNC(N)=O;SVFIFKIJPGJOPV-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258791;MM258791;CC(=N)NCCC(F)=CF;PHQDOVQYNTUEGI-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258792;MM258792;CC=C(F)CCNC(C)=O;STISIAGLAVCTGH-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258793;MM258793;CC=C(F)CCNC(N)=O;UYKUHZHTJSQZMZ-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258794;MM258794;CC(CCNC(=N)N)=NN;PABLAXXGOPWCCC-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258795;MM258795;CC=C(C)CNNC(C)=N;NUWXQKNFNFJQTK-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258796;MM258796;CC(=N)NNCC(C)=CF;NEFPCDSGUYVIID-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258797;MM258797;CC(=N)NNCC(F)=CF;ULYWBVMJMKYIOP-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258798;MM258798;NC(=O)NNCC(F)=CF;MMFXERNPVHIJOB-UHFFFAOYSA-N;151.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258799;MM258799;CC=C(C)CONC(C)=N;KYIWPMFLRJJHQG-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258800;MM258800;CC=C(C)CONC(C)=O;DDWXZHZQCPMGDX-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258801;MM258801;CC=C(F)CONC(C)=O;VMJPXTJYYODJGV-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258802;MM258802;CC=C(F)CONC(N)=O;GXXVMHWQQUAERN-UHFFFAOYSA-N;148.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258803;MM258803;CC(=N)NOCC(C)=NN;UHDDFDBXBOHEIY-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258804;MM258804;CC=C(C)CCOC(=N)N;FTXNBGBEZHITRK-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258805;MM258805;CC=C(C)CCOC(N)=O;YRFYXEREOWQGQN-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258806;MM258806;CC=C(F)CCOC(N)=O;AAVKYGJLEFZPCJ-UHFFFAOYSA-N;147.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258807;MM258807;NC(=O)OCCC(F)=CF;FZXQNAFJJCZCID-UHFFFAOYSA-N;151.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258808;MM258808;CC(=O)OCCC(C)=NN;OAGHLJVQAGTISW-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258809;MM258809;CN=Nc1c[nH]c(NC)c1;KLMRUMPMDMXGCY-UHFFFAOYSA-N;138.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258810;MM258810;C=C(C)CCN=C(C)NO;GVLPABFCRXLPNV-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258811;MM258811;CC(=O)CCN=C(C)NO;XRSKMSROBBOCQY-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258812;MM258812;CN=C(C)NCCC(=N)N;XMSFIYYOMOVHDD-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258813;MM258813;CC(=NO)NCCC(=N)N;NOLGPVWOIZIOTJ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258814;MM258814;Cc1nn(N)c(F)c1O;NRYIGRLFGQKYCV-UHFFFAOYSA-N;131.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258815;MM258815;NN=C1CC2CC2(CO)C1;VHPXTCIZMALAPA-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258816;MM258816;NN=C1CC2(CO)CC1C2;GMQGEPHODJHRTM-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258817;MM258817;CC1C(C#N)=CNC1CO;KURBAJMHSVESAO-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258818;MM258818;CN=C(C)NOCC(=N)N;ZDBVGEZVEUJXBY-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258819;MM258819;CC(=NOCC(=N)N)NN;JQBZAGWJNTXNER-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258820;MM258820;CC(=NOCC(=N)N)NO;DZKFSJXCTYNWBJ-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258821;MM258821;NN=C1CCC2(CO)CC12;HOCYWVUWTNSEFO-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258822;MM258822;CC(=NN)OCCO;KNDIHVCOXOBWEW-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258823;MM258823;CC(C)ON=CCC(=O)O;JXFXGIUZYXTAMR-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258824;MM258824;CCC=C(C=NN)C(=O)O;RVHZWIMUMRUMOI-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258825;MM258825;C=C(F)CON=C(C)NN;FIAHTXWMIYOTFO-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258826;MM258826;CNN=COCCO;REQBHDONWPZYGR-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258827;MM258827;CC=C(C)OCCC(C)=O;XVYSOCBTCQYTGG-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258828;MM258828;CC(=O)CCOC(C)=CF;KMIWIOVEUWYTJU-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258829;MM258829;CC(=CF)OCCC(N)=O;GDTWNJRRNNGFKD-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258830;MM258830;CCCON=CCC(=O)O;ADPLDUOWFJSSJO-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258831;MM258831;COc1cc(=N)nc(O)o1;GABYLNFWPMUAJA-UHFFFAOYSA-N;142.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258832;MM258832;CN(C)N=COCCO;UUCDZLVTUOHZCI-UHFFFAOYSA-N;132.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258833;MM258833;C=C(C)CCOC(C)=NO;NISIFOMEJCBWKB-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258834;MM258834;CC(=O)CCOC(C)=NO;VBEIFWDRBHMRBW-UHFFFAOYSA-N;145.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258835;MM258835;CCC(=O)N(N)C(N)=O;SRHIVCHSAHAHCM-UHFFFAOYSA-N;131.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258836;MM258836;C=C(F)CCOC(C)=NO;CWSOTKKKASFEEU-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258837;MM258837;C=C(C)OCOC(C)=CC;ONWBSVIPGHPICF-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258838;MM258838;CC=C(C)OCOC(C)=O;HWAJMRWDMBJXKK-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258839;MM258839;CC(=O)OCOC(C)=CF;OIFHBFAYXMXEPM-UHFFFAOYSA-N;148.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258840;MM258840;CC=C(C)OCOC(=N)N;NETBBGXSNHNZFN-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258841;MM258841;CC(=CF)OCOC(=N)N;UVVZEWRFBZYUPE-UHFFFAOYSA-N;148.14;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258842;MM258842;CC=C(C)OCOC(N)=O;AEBABLOCIVQPBJ-UHFFFAOYSA-N;145.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258843;MM258843;CC(=CF)OCOC(N)=O;METOVXHUVBISAJ-UHFFFAOYSA-N;149.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258844;MM258844;N=C(N)C(=O)OCCO;YBDHUCRNOLQXGM-UHFFFAOYSA-N;132.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258845;MM258845;C=C(C)OCOC(C)=NO;UYPQAKRQTKIENQ-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258846;MM258846;CC(=NN)OCOC(=N)N;BTDSYJSDUDREIN-UHFFFAOYSA-N;146.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258847;MM258847;CC(=NO)OCOC(=N)N;XWIKNPZPMBNXIZ-UHFFFAOYSA-N;147.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258848;MM258848;NN=C(CF)OCCO;JUYBEZPTJKTERQ-UHFFFAOYSA-N;136.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258849;MM258849;CC(C)C=CCC(C)CN;MRODWXYBYOMAPM-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258850;MM258850;NN=C(NN)OCCO;XTDJAKFAQQBMIR-UHFFFAOYSA-N;134.14;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258851;MM258851;CCC(C)CC=CC(C)N;AKWLTFMIEBRXBG-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258852;MM258852;CC(N)C=CCC(C)CN;YSRNHZYWCLZMBT-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258853;MM258853;CC(N)C=CCC(C)CO;WSUJWMOMPROLOQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258854;MM258854;CC(O)C=CCC(C)CN;LNPIVPHKGXIISB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258855;MM258855;COC(=NN)OCCO;FJMXQJBKIAKBCH-UHFFFAOYSA-N;134.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258856;MM258856;CC(F)C=CCC(C)CN;YARBDACOCLHBQB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258857;MM258857;N#CC(=CN)OCCO;AXNANICVTOWHPP-UHFFFAOYSA-N;128.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258858;MM258858;CCC(N)CC=CC(C)C;ALECHQIBWSESGM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258859;MM258859;CC(C)C=CCC(N)CN;MFVSDPBENBRTMP-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258860;MM258860;CC(C)C=CCC(N)CO;PHNJBPPVAFMNFP-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258861;MM258861;CC(C)C=CCC(N)CF;HLFOCNYEUTXKFP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258862;MM258862;CCC(N)CC=CC(C)N;BZXUBHOMLJLWMB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258863;MM258863;CCC(N)CC=CC(C)O;FYJUXXXMVSMYQI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258864;MM258864;CC(O)C=CCC(N)CN;VFSFLQVKQBEOAH-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258865;MM258865;CC(C)C=CCC(O)CN;XRFGLEGDZVOUTN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258866;MM258866;CCC(O)CC=CC(C)N;LOYBYEXLJLTVHG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258867;MM258867;CC(N)C=CCC(O)CN;GSSMMPMWVMTACY-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258868;MM258868;CC(O)C=CCC(O)CN;RPQVHPCSTYQKRH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258869;MM258869;N#CC1=CNC(CO)C1;SBDOZEUEGUSGGB-UHFFFAOYSA-N;124.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258870;MM258870;CC(F)C=CCC(O)CO;IQYAWWIILMWMGY-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258871;MM258871;CC(F)C=CCC(O)CF;LKPCHYAUXQVRCD-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258872;MM258872;CC(C)C=CCC(F)CN;RBPARSCLNLMMIE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258873;MM258873;CC(C)C=CCC(F)CO;RNMNULGKJQPDQQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258874;MM258874;CCC(F)CC=CC(C)N;LOELHLQNNMTPNH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258875;MM258875;CC(N)C=CCC(F)CF;PXQJXCIPCRMGKV-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258876;MM258876;CNc1ncn(C=N)n1;QOYGKQZYKDDWDK-UHFFFAOYSA-N;125.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258877;MM258877;CC(F)C=CCC(F)CN;XBOKHIOAMSIKBD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258878;MM258878;CNC(C)CC=CC(C)C;RIEZUXRZRSHGLP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258879;MM258879;CNC(C)CC=CC(C)O;JNIXPKAGKGAEAN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258880;MM258880;COC(C)CC=CC(C)N;BYKYVZSZJWPZAO-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258881;MM258881;CCC(C)NN=CC(C)C;RLZBXWQODKFTIZ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258882;MM258882;CC(C)C=NNC(C)CN;YIVXSYRIEDTPES-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258883;MM258883;NN=C1C=CC(CO)=C1;ALTGJCGJFRYUKQ-UHFFFAOYSA-N;124.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258884;MM258884;O=CON=COCCO;WHDCSRAUQPJNJH-UHFFFAOYSA-N;133.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258885;MM258885;NN=CC=COCCO;ZPWGRWXTTZCCFM-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258886;MM258886;COC(C)OC=CC(C)O;LXUAYDIBVAWVDG-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258887;MM258887;C=C(OCCO)C1CN1;DQNKICQTRCCMSB-UHFFFAOYSA-N;129.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258888;MM258888;CC(CN)ON=CC(F)F;QGKHWAPDGRIUFU-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258889;MM258889;O=C(OCCO)C1CN1;HHGKGGHKIOJBGS-UHFFFAOYSA-N;131.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258890;MM258890;COC(C)ON=CC(C)N;NYGGXEKUKDNNKS-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258891;MM258891;CC(CF)CN=CN(C)C;UTLCXQMJJQYPCE-UHFFFAOYSA-N;146.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258892;MM258892;CCC(N)CN=CN(C)O;RTYHMHGUFYGLDX-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258893;MM258893;CCC(O)CN=CN(C)C;YCHFVYLSCHQJAP-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258894;MM258894;CCC(O)CN=CN(C)N;WLXIQIGKMAEGFV-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258895;MM258895;CN(O)C=NCC(O)CN;NDBFBQJMYNMWPT-UHFFFAOYSA-N;147.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258896;MM258896;CCC(F)CN=CN(C)C;REJBJPXIUBMAJV-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258897;MM258897;CN(C)N=CCC(N)CF;MZJFAXSCJMDUMO-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258898;MM258898;C=NOC(CC)OC(N)=O;XGVQHOKFLZYBSD-UHFFFAOYSA-N;146.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258899;MM258899;CC(CO)NN=CN(C)C;PRRIEIDGXLFESW-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258900;MM258900;CC(CN)NN=CN(C)O;CMIDZEOPUYSDPJ-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258901;MM258901;CNN(CC(C)O)C(N)=O;XQDMDTIVIMZANE-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258902;MM258902;COC(C)ON=CN(C)N;XIFQBWMMAYIOMD-UHFFFAOYSA-N;147.18;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258903;MM258903;C=CCC(O)CC=NNC;UOUQNEZGMWYYEF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258904;MM258904;C=CCC(O)CC=NOC;CVKUWUBPKNFWHK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258905;MM258905;CC(C)C=CCC(C)C=O;SWRITUZFHMXJIZ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258906;MM258906;N=C(NC=CC=O)C(N)=O;RPPFCTVSRCGGBY-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258907;MM258907;C=CC(N)CC=CC(C)O;FEYYEOSWZGVKNC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258908;MM258908;CCNc1nc(C)n(C)n1;DJDUHOJEIMZYEO-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258909;MM258909;CC(C)C=CCC(O)C=O;UHVYDVIUZQXNPU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258910;MM258910;CC(C)C=CCC(O)C#N;RVLBXNOOVOGTFA-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258911;MM258911;C=CC(O)CC=CC(C)N;WFGCLHGWSXODBN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258912;MM258912;CC1C(CO)NC1(C)C#N;VMZOYQNUYGTDFZ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258913;MM258913;CC(O)C=CCC(O)C=O;ZRKPODBGIQFCSR-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258914;MM258914;C#CC1(COC(N)=O)CN1;PBSKPWNNHIHBMR-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258915;MM258915;CC(F)C=CCC(O)C#N;AAAXKHAFMMMRHE-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258916;MM258916;CC(C)C=CCC(F)C=O;DSFKELYFHDGBLW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258917;MM258917;CC(C)C=CCC(F)C#N;RJKOISUMMLUYFL-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258918;MM258918;CC(O)C=CCC(F)C=O;ADKDLIBCXZMPKI-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258919;MM258919;C=NOCC(=C)OCCO;JTIAVDGLFVNYIK-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258920;MM258920;CC(F)C=CCC(F)C=O;PJJACWAHYZTOHZ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258921;MM258921;C=CC(C)NN=CC(C)C;JTFMFDYELBWOOM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258922;MM258922;C=NOCC(=O)OCCO;IRPHBVCFIZWJAF-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258923;MM258923;N=C(NOC=O)OCCO;KTJVXTZGSQHHOI-UHFFFAOYSA-N;148.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258924;MM258924;C=CC(C)NC=NC(C)C;BCPYUHUABOCHJE-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258925;MM258925;CC(C)N=CNC(C)C=O;NHUAFLNOJZFGIL-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258926;MM258926;CC(O)C=COC(C)C#N;FQPLXLABMIVHPU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258927;MM258927;CC(C#N)OC=CC(F)F;PEZPHADTHYTJRF-UHFFFAOYSA-N;147.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258928;MM258928;C=CC(C)ON=CC(C)C;DGCKNNZALXEHPD-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258929;MM258929;N=C(NC=NN)OCCO;FONANTZUIGDZGI-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258930;MM258930;CC(C#N)CN=CN(C)C;YCERPAVZENJQIR-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258931;MM258931;C=CC(C)CN=CN(C)N;WHSLZVROPKTTAQ-UHFFFAOYSA-N;141.22;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258932;MM258932;C=CC(N)CN=CN(C)C;WKUZOZLCIQFLFK-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258933;MM258933;CN(C)C=NCC(F)C=O;XNEPKJJEQIJPAI-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258934;MM258934;CC(=NNC=N)OCCO;LYBAVRLWWGDIHJ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258935;MM258935;CC(C#N)CC=NN(C)C;QRMAGDIHRJRXSP-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258936;MM258936;C=CC(N)CC=NN(C)C;BXCGTLUEYZDXQQ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258937;MM258937;CC(=NOC=O)OCCO;JNNFJIVOVJQBMC-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258938;MM258938;CNC(=O)N(C)NCC=O;HJAIQQMQPJRVMK-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258939;MM258939;C=C(OCCO)N(N)C=O;JISVFAUHESLNIR-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258940;MM258940;CN(C=O)C(=N)OCCO;VFAZUCKSVHAUDU-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258941;MM258941;CC(C)C=CCN(C)C=O;UERYCGKICCUXIA-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258942;MM258942;CC(O)C=CCN(C)C=O;GWNKFAGHQZZPOS-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258943;MM258943;CN(C=O)CC=CC(F)F;COXDOSCEVKPOQI-UHFFFAOYSA-N;149.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258944;MM258944;CC(C)C=CCN(N)C=N;XFQQKBQTIHKBEX-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258945;MM258945;CC(C)C=CCN(N)C=O;LDBZIQSIZYJTKC-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258946;MM258946;C=NN(C)CC=CC(C)N;OJNOVHBRNXRWBO-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258947;MM258947;N=C(OCCO)N(N)C=O;MZZWDJBIJAEPQU-UHFFFAOYSA-N;147.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258948;MM258948;CC(C)N=CNN(C)C=N;GBJACJULOKQSOU-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258949;MM258949;C#CC(O)CC=CC(C)C;PAEISRBCNDWWJH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258950;MM258950;C#CC(F)CC=CC(C)C;GPCOAIVCEXQYMY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258951;MM258951;C#CC(F)CC=CC(C)N;GPGNRUHNMLYOCJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258952;MM258952;C=NN(C)C(=N)OCCO;UPEKCQLMTASQQK-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258953;MM258953;C=NNCC(=O)N(N)C=O;GJDLEFURAYKDIF-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258954;MM258954;C#CC(C)NC=NC(C)C;RMPPYYSRZHWPTB-UHFFFAOYSA-N;138.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258955;MM258955;C#CC(C)OC=CC(C)C;LCNOZTMTUVJRRX-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258956;MM258956;C#CC(C)CN=CN(C)C;LTPACEGTKHRQEL-UHFFFAOYSA-N;138.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258957;MM258957;C#CC(N)CC=NN(C)C;XGFANRIFMXWCRT-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258958;MM258958;C#CC(N)C(=O)OCCO;ILIFANPAVPHEDO-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258959;MM258959;C#CC(C)OC=NN(C)C;MEJBDXIYPYJWDO-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258960;MM258960;CCC(C)CC=CC(C)=O;BBVDZAMVDAJMEZ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258961;MM258961;CN=C(N)C(=O)OCCO;DBIUQRIRCXIXAZ-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258962;MM258962;CC(CO)CC=CC(=N)N;RLRZNMGSLSSFTA-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258963;MM258963;CC(CF)CC=CC(=N)N;MQHJCBIMUOOSJA-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258964;MM258964;CC(CN)CC=CC(N)=O;OWBDSZXBLJLUPX-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258965;MM258965;CCN=CN(N)C(=O)NC;ABGURFHUQBEHII-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258966;MM258966;C=NN1CC1CC(=O)O;OXRIMCSKWSTMNQ-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258967;MM258967;C=C(F)C=CCC(C)CN;NAIJUSUEWFNSAT-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258968;MM258968;CC(C#N)=C(N)OCCO;YTZAGIOPMNDJAV-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258969;MM258969;CCC(N)CC=CC(N)=O;XVMVABIRJHIQRV-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258970;MM258970;C=NOCOCC(=O)NC;XHUHHNSWTKOPTP-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258971;MM258971;CC(=O)C=CCC(O)CO;MUBYZEVYNRTCEP-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258972;MM258972;CC(CO)CNN=CNO;NJRQBDUEMPSOQR-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258973;MM258973;N=c1[nH]ncn(N)cno1;NBAAJQHPILQFKP-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258974;MM258974;Nn1cnc(=O)c(F)c1O;GZURBCHBMJWQMO-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258975;MM258975;CNC(=O)CNN=CNO;GAVVJSPEIGUNPI-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258976;MM258976;C=C(C)C=CCC(F)CN;FCESAPOJBGSGIW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258977;MM258977;C=C(C)C=CCC(F)CO;UPVUVGLWBTWBHW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258978;MM258978;CC(=O)C=CCC(F)CO;RTXRSGVWGGVIFG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258979;MM258979;CCC(F)CC=CC(=N)N;QOFZBCOTSXGRQG-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258980;MM258980;N=C(N)C=CCC(F)CF;ZROUAGSBSBJOON-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258981;MM258981;CN(C=O)N=COCCO;NQJMTQNLQWYJBW-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258982;MM258982;CCC(F)CC=CC(=O)O;USLBLCQXHFEZBE-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258983;MM258983;C=C(C)C=CCC(C)NC;BKMNEMWSJSDWBO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258984;MM258984;CNC(C)CC=CC(C)=O;TWNAFNPOUQPCOQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258985;MM258985;COC(C)CC=CC(C)=O;KEPYVXIGQKZXOI-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258986;MM258986;C=C(OCCO)C1(C)CN1;SGLDDNMAUVHKTN-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258987;MM258987;CC(=O)C=CNC(C)CO;NEESAPAAVOWKGN-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258988;MM258988;C=C(C)C=NNC(C)CC;YKOHQYFRTGTSQB-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258989;MM258989;C=C(C)C=NNC(C)CN;FLNFPJKIESJSJR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258990;MM258990;CNC(=O)N(CCF)NC;QQQORZBFRPUDQN-UHFFFAOYSA-N;149.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258991;MM258991;C=C(CO)C(C#N)NCC;PSHZLKIDTLKSIW-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258992;MM258992;CNC(=O)C(CCO)=NN;ZYZJCMZZEBVVKE-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258993;MM258993;COCC(=NN)OCCO;VTKJNXCUVAWOMT-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258994;MM258994;C=C(F)C=NNC(C)CC;BLFZWYBRXIWQGF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258995;MM258995;CCC(C)N=CNC(C)=O;DMQVRDYRQFPMSP-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258996;MM258996;CC(CO)N=CNC(=N)N;CSTOKXYDOGWCFN-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258997;MM258997;CC(CF)N=CNC(=N)N;FCSNMFKKOKQWOA-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258998;MM258998;CNNC(=NN)OCCO;PYKMCPXNZNMQEZ-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM258999;MM258999;CC(=O)C=COC(C)CO;MOHXOWZYBXKDMQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259000;MM259000;CC(CO)OC=CC(N)=O;CAYNEVADOPJYSA-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259001;MM259001;C=C(C)C=NOC(C)CN;JFNNISKQXLFDRF-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259002;MM259002;CN=C(NOC)OCCO;WZBZJPPTYUDHAE-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259003;MM259003;CC(CO)ON=CC(=N)N;QPZREGPZALEFPU-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259004;MM259004;CC(CO)ON=CC(N)=O;YFIUADLKUJYERU-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259005;MM259005;C=C(F)C=NOC(C)CN;BFSVXSPWZLPTFX-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259006;MM259006;COC(C)ON=CC(=N)N;KVUOCSIIEBXMAG-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259007;MM259007;Cn1nc(F)c(O)nc1=O;QXIWZBAAGOYDHL-UHFFFAOYSA-N;145.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259008;MM259008;C=CC(C)CC=CC(C)=O;ZLIQDACENHUDEW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259009;MM259009;CC(=O)C=CCC(C)C=O;MSSYJZBVGWWFPP-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259010;MM259010;CC(=O)C=CCC(C)C#N;YDTHWSUNEZQROO-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259011;MM259011;C=CC(C)CC=CC(=N)N;GETARYGCBBMAJQ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259012;MM259012;CC(C#N)CC=CC(=N)N;QYBXCZMSZYHYIZ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259013;MM259013;CONC(=NN)OCCO;GLGAFGMFZBYFIT-UHFFFAOYSA-N;149.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259014;MM259014;C=CC(C)CC=CC(=O)O;BEQMEDHXZNMHPH-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259015;MM259015;CC(=O)C=CCC(O)C#N;NQBIKKCUSSJQSE-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259016;MM259016;C=CC(O)CC=CC(=N)N;CWSMTDBAGUEOMM-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259017;MM259017;CCOC(=NN)OCCO;MWNZQFFGEGQSCH-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259018;MM259018;C=CC(C)NC=CC(=N)N;HNRXOZDHCGGNSR-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259019;MM259019;NC=C(C=NN)OCCO;UEMNIGLUXKQGKI-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259020;MM259020;Cc1nc(=O)[nH]c(=O)o1;QBMIANQSGJJBBN-UHFFFAOYSA-N;128.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259021;MM259021;N#CC(C=O)C(=O)C(F)F;ZIAULQJLAGXYOC-UHFFFAOYSA-N;147.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259022;MM259022;C=CC(C)NN=CC(=C)C;MQQZLMFBOMRKRE-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259023;MM259023;NC=CC(=NN)OCCO;JYHDGICQWGPQSC-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259024;MM259024;CC(C=O)NN=CC(=N)N;QQDMVIRNVNMAAV-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259025;MM259025;Cn1nc(O)c(F)cc1=O;UXXIJQHUBXCSDR-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259026;MM259026;NN=CC(=NN)OCCO;OLUAPEBIEDTLJI-UHFFFAOYSA-N;146.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259027;MM259027;C=CC(C)N=CNC(C)=N;XTZKSDDZRNLVHE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259028;MM259028;CC(=O)NC=NC(C)C=O;UQFSFPZXXKQGAH-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259029;MM259029;C=CC(C)N=CNC(=N)N;FZDBJWAAVJOQFO-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259030;MM259030;C=CC(C)OC=CC(C)=O;ZLEACEBOWCWUKX-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259031;MM259031;CC(C=O)OC=CC(=N)N;MMHQRXXHYGVECN-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259032;MM259032;CC(C#N)OC=CC(=N)N;ZIMZYJOHKVFKEE-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259033;MM259033;CNN=C(NN)OCCO;PYKMCPXNZNMQEZ-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259034;MM259034;CC(C)=C(CC=O)C(=O)O;HHPAZAJQZRJAPP-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259035;MM259035;CC(C)(C=CC=O)C(=O)O;LMSRVBXWAVUFHJ-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259036;MM259036;CNC(=NOC)OCCO;WZBZJPPTYUDHAE-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259037;MM259037;CON=C(NN)OCCO;GLGAFGMFZBYFIT-UHFFFAOYSA-N;149.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259038;MM259038;CC(C#N)ON=CC(=N)N;IPLATILMBLPAJO-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259039;MM259039;CNC(=NC=N)OCCO;CYBGJTRIWRUBQZ-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259040;MM259040;N=c1nc(O)cnc(=O)[nH]1;SGSLSJDRQSBOLJ-UHFFFAOYSA-N;140.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259041;MM259041;C=C(F)C=NOC(C)C#N;NADUYQBPZJDDCY-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259042;MM259042;C=C(C)C=CCN(C)C=O;YIOPPWINLRQOJW-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259043;MM259043;C=C(F)C=CCN(C)C=O;NBLMIDJGEMYCQG-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259044;MM259044;C=C(C)C=CCN(N)C=N;YZCGSPINSSXXEO-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259045;MM259045;C=C(C)C=CCN(N)C=O;VMAYGIAHCVGRCM-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259046;MM259046;N=C(N)C=CCN(N)C=O;LHFXYGIKBKEXOK-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259047;MM259047;N=CN=C(NN)OCCO;VMOJFCDUSAORDJ-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259048;MM259048;COc1nc(=O)o[nH]1;ZPJYVEAFVANJEI-UHFFFAOYSA-N;116.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259049;MM259049;C=C(C=CCOC)C(=O)O;YRUBAQPWDLNVEB-UHFFFAOYSA-N;142.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259050;MM259050;CC(=O)C=CNN(C)C=N;UBADZMSUGUGGHL-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259051;MM259051;CC(=O)C=CNN(C)C=O;QOCAXBJDOSPYMB-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259052;MM259052;CC(=N)NC=NN(C)C=N;OKEUBSBDBRHAMD-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259053;MM259053;NNC(=NC=O)OCCO;FSHDLHKLJGHRQQ-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259054;MM259054;CC(=O)NC=NN(C)C=O;GYEDCJTXGXCXJI-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259055;MM259055;CN(C=N)N=CNC(=N)N;MNDOXELKTUJOSV-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259056;MM259056;CN(C=O)N=CNC(=N)N;SEVLMQWWUMAUMF-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259057;MM259057;CN(C=O)N=CNC(N)=O;YUIJIWVEMVYWHI-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259058;MM259058;C#CC(C)CC=CC(C)=O;GDOIFSRWWOMAKR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259059;MM259059;C#CC(C)CC=CC(=N)N;UZIMKRPZWXPPTF-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259060;MM259060;C#CC(C)CC=CC(=O)O;ZJVJRWWSAHFDCK-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259061;MM259061;C#CC(N)CC=CC(=C)F;YBSSYHBGAPOOPW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259062;MM259062;C#CC(O)CC=CC(=C)C;RZMIBSBEANWDOZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259063;MM259063;CNN=C(C=O)OCCO;BMSTTXXPXOYXMC-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259064;MM259064;C#CC(C)NC=CC(C)=O;BMOKXCOLKQMPOF-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259065;MM259065;C#CC(=NNC)OCCO;WSSIGPWMUUQWFY-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259066;MM259066;C#CC(C)NN=CC(=C)C;KXPFSDLWCZNQND-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259067;MM259067;C#CC(C)NN=CC(=N)N;OQJKJQORSWCEOW-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259068;MM259068;C#CCC(=CC=NN)CO;YGJSUSISKZCTQV-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259069;MM259069;C#CC(C)N=CNC(=N)N;FOZUUMIBMFLCSK-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259070;MM259070;C#CC(C)N=CNC(N)=O;FZJXDRBWLJISFN-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259071;MM259071;N#CCONC(=O)CO;CURVBHBPFHETJT-UHFFFAOYSA-N;130.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259072;MM259072;C=C(C=O)N(C=N)C(N)=O;YSPKZYDFBODSFU-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259073;MM259073;C=C(CO)CC=CC(C)C;LITGTMLDWOMMKH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259074;MM259074;CC(C)C(=NN)OCCO;QTPNKMWMKRTFLH-UHFFFAOYSA-N;146.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259075;MM259075;C=C(CN)CC=CC(C)F;CAIOJPJMMJIEAZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259076;MM259076;C=C(CO)CC=CC(C)F;CSUNYLRIVOSEEK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259077;MM259077;C=C(CN)CC=CC(F)F;GMDJJIIPJGVPNH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259078;MM259078;CCC(=O)CC=CC(C)C;BQGHQIDIRDKJHU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259079;MM259079;CC(C)C=CCC(=O)CF;DZMCRDRXKORDTC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259080;MM259080;CCC(=O)CC=CC(C)O;SNPBMVSCWWGPDM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259081;MM259081;CC(O)C=CCC(=O)CO;PBRFJRBYVKTRHB-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259082;MM259082;CCC(=O)CC=CC(C)F;IWQWFEOZRWLCOV-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259083;MM259083;CC(C)C=CCC(=N)NN;OWWHMPDMAYAVSW-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259084;MM259084;CC(C)C=CCC(=N)NO;PUWVWNULBBZHKK-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259085;MM259085;CC(O)C=CCC(=N)NO;RFVSZDUYECIFQV-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259086;MM259086;CC(F)C=CCC(=N)NO;OXDSEWBWMNVPDR-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259087;MM259087;CC(C)C=CCC(=O)NO;MPCXWZOXCUWBKR-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259088;MM259088;CC(N)=C(C#N)OCCO;GFOFSUWUJJVUTN-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259089;MM259089;COC(=O)CC=CC(C)N;XUFREEOABIQIPT-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259090;MM259090;COC(=O)CC=CC(F)F;IEJMRTKKRMHGML-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259091;MM259091;CC(C)C=CNC(=N)CO;ZSFUFCSITMZGRS-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259092;MM259092;CC(O)C=CNC(=N)CO;GBZIFKXJJWTXNV-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259093;MM259093;CC(F)C=CNC(=N)CN;WPFQCMXVMHSATH-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259094;MM259094;CC(F)C=CNC(=N)CO;LTVHCWZCMPQTFC-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259095;MM259095;N=C(CN)NC=CC(F)F;YRBQVKAQKBEWPZ-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259096;MM259096;CC(O)C=CNC(=O)CO;DGQHXLRCWLSNRI-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259097;MM259097;CC(O)C=CNC(=O)CF;KUNKTRSNVVWTRV-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259098;MM259098;CC(F)C=CNC(=O)CO;ZUPFDCGHCMXDCW-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259099;MM259099;CC(F)C=CNC(=O)CF;XWQRIUYYUVZFQO-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259100;MM259100;O=C(CO)NC=CC(F)F;OGCRDPIKADHZFF-UHFFFAOYSA-N;151.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259101;MM259101;CNC(=N)NC=CC(C)C;YEXFYVAXIWMPLF-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259102;MM259102;CNC(=N)NC=CC(C)N;UDLYRGXKZJCFBL-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259103;MM259103;CC(N)C=CNC(=N)NO;OZKFTJVDXJAEAK-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259104;MM259104;CC(O)C=CNC(=N)NN;NSEFFEAWJAFZIU-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259105;MM259105;CC(O)C=CNC(=N)NO;MHNMPYFMFMEKIC-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259106;MM259106;CC(F)C=CNC(=N)NN;AYEAKZGGHQZORA-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259107;MM259107;CNC(=N)NC=CC(F)F;ZVKMBZBUGOSBSC-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259108;MM259108;CNC(=O)NC=CC(C)C;WJVIWQUEHBOSQU-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259109;MM259109;N#CC(OCCO)=C(N)N;XYXGEJWQRBWIQE-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259110;MM259110;CC(O)C=CNC(=O)NO;DGLMESVNRSIIOY-UHFFFAOYSA-N;146.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259111;MM259111;NN=CCCC(CO)CO;XKABHZBOWCLOSW-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259112;MM259112;CC(F)C=CNC(=O)NO;QGSLVLOSPYSIOT-UHFFFAOYSA-N;148.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259113;MM259113;CNC(=O)NC=CC(F)F;IOTLQRKINWOUFC-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259114;MM259114;NN1C=C(CO)CCC1=O;QNBXRZUKZISXCG-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259115;MM259115;COC(=O)NC=CC(F)F;DZWNSJLSHHJBMF-UHFFFAOYSA-N;151.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259116;MM259116;NN1CCC(CO)=CC1=O;SXBNIXLZRLRYDV-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259117;MM259117;CCNc1cc(C=O)c[nH]1;NVTLAQHIOSECHT-UHFFFAOYSA-N;138.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259118;MM259118;CC(N)C=NNC(=O)CN;BBSFVRIKZNSKCD-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259119;MM259119;CC(N)C=NNC(=O)CF;FBKXAMNOJNTFOK-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259120;MM259120;O=C(CF)NN=CC(F)F;YIYSKEHXKAGDBJ-UHFFFAOYSA-N;154.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259121;MM259121;CNC(=N)NN=CC(C)C;UYOAFNYIBUQVHL-UHFFFAOYSA-N;142.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259122;MM259122;CNC(=N)NN=CC(C)N;AKQQNOVVACNGHH-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259123;MM259123;CC(O)C=NNC(=N)NN;XEKWYKJGQVOWMN-UHFFFAOYSA-N;145.17;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259124;MM259124;CC(F)C=NNC(=N)NN;ASDWBRSZSBUNGP-UHFFFAOYSA-N;147.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259125;MM259125;CNC(=O)NN=CC(C)C;BPKKNIGWFVICIW-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259126;MM259126;CC(N)C=NNC(=O)NO;DSGAHYXVIICWSN-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259127;MM259127;CC(O)C=NNC(=O)NN;FDQKVDCFLYSOSM-UHFFFAOYSA-N;146.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259128;MM259128;CC(O)C=NNC(=O)NO;XJYUZWCFRIQMRH-UHFFFAOYSA-N;147.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259129;MM259129;CNC(=O)NN=CC(F)F;GGBQNLSTKOZZMZ-UHFFFAOYSA-N;151.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259130;MM259130;NNC(=O)NN=CC(F)F;RODRHDUNGCJPOY-UHFFFAOYSA-N;152.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259131;MM259131;N#CC12C=C(CO)C(C1)N2;QCYFKOUOMDFTDP-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259132;MM259132;CC1=C(CO)CNC1C#N;AWRWALXAMIMMOF-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259133;MM259133;C=C(CC)N=CNC(C)C;RMFDCTPZCWXQQX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259134;MM259134;C=C(CO)NC=NC(C)C;NYJPFAQCGJJZMJ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259135;MM259135;CC(C)N=CNC(=N)CN;OCXWJTXAHCAHIW-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259136;MM259136;CC(C)N=CNC(=N)CO;HPSSYPQXDQSDPQ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259137;MM259137;CCC(=O)NC=NC(C)C;BVSGPFMYFNVUKV-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259138;MM259138;CC(C)N=CNC(=O)CO;VRLBFGZUGRCWQI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259139;MM259139;CC(C)N=CNC(=O)CF;SGTSFRZEHUPGSP-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259140;MM259140;CNC(=N)NC=NC(C)C;RUOOGSQMBLAJDB-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259141;MM259141;CC(C)N=CNC(=O)NO;KSPVCUQEXFBBTQ-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259142;MM259142;C=C(CN)OC=CC(C)N;XAYDNRDRJKUAEJ-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259143;MM259143;C=C(CO)OC=CC(C)N;HNHAAKMRWOMWEA-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259144;MM259144;C=C(CN)OC=CC(C)F;JATIFSWOXMNGGJ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259145;MM259145;CC(N)C=COC(=O)CO;AQWBSCJYXANHQQ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259146;MM259146;CC(O)C=COC(=O)CO;PCJKBWSZSWQKQD-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259147;MM259147;CC(F)C=COC(=O)CO;FIDTVZQODHYDLA-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259148;MM259148;COC(=O)OC=CC(C)F;HRQKNMZAAJARHO-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259149;MM259149;COC(=O)OC=CC(F)F;LTTJKMVSBOXNTA-UHFFFAOYSA-N;152.1;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259150;MM259150;CCCON=COCCO;WUCJKHYHLCXJLP-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259151;MM259151;CCC(=O)ON=CC(C)N;HSJUETKGDFRQGD-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259152;MM259152;CC(O)C=NOC(=O)CO;RBLDYLRKLAMDPT-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259153;MM259153;OCCOC=NOCCF;VFTJIJHKGPAHHI-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259154;MM259154;N#CCNN=COCCO;ZYZNGOBIJYAZTP-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259155;MM259155;C=CCON=COCCO;PZLLIMYSMZONPB-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259156;MM259156;CC(C)C=NOC(=O)NN;KPFLVBAQZLQLOD-UHFFFAOYSA-N;145.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259157;MM259157;CC(O)C=NOC(=O)NN;UONQUPURKXVXEW-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259158;MM259158;CNC(=O)ON=CC(C)F;MHUIHGVWEYXVNZ-UHFFFAOYSA-N;148.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259159;MM259159;NNC(=O)ON=CC(F)F;FUSMUFKNYJRALN-UHFFFAOYSA-N;153.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259160;MM259160;C#CCNN=COCCO;CMGVCKOMPUFEBQ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259161;MM259161;C=C(CC)CN=CN(C)C;IHLTYKQSZINXQK-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259162;MM259162;C=C(CN)CN=CN(C)C;KYGCVEJHETZOOV-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259163;MM259163;CN(C)C=NCC(=O)CO;AESXGTZSJZAGRR-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259164;MM259164;CNC(=N)CN=CN(C)O;HTLSNUAHSISDKZ-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259165;MM259165;CN(O)C=NCC(=N)NN;WBHFCMFXQWVXHK-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259166;MM259166;CNC(=O)CN=CN(C)C;JLUIAFAWKBOXDA-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259167;MM259167;NN=CNN=COCCO;SAZSGFXIZDXKDN-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259168;MM259168;NN=CON=COCCO;HIOWVEWCNKRJKZ-UHFFFAOYSA-N;147.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259169;MM259169;OCCOC=NNC1CC1;KIRSFPREVFISND-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259170;MM259170;COc1ccc(NO)cc1;LJCIZJORSSYKKN-UHFFFAOYSA-N;139.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259171;MM259171;CNC(=N)CC=NN(C)C;WRNHFQJUVHIUNQ-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259172;MM259172;CN(C)N=CCC(=N)NO;IFTFBTFERMAWGX-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259173;MM259173;C=C(CC=NN(C)C)OC;YRGIWPRYMOEQMO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259174;MM259174;CN(C)C=NNC(=N)CN;ZMRBRWFSSZLWIN-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259175;MM259175;Cc1[nH]nnc1N;QAHJJQGHAWTUQU-UHFFFAOYSA-N;98.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259176;MM259176;CN(C)C=NNC(=O)CO;BARSNFACBZWSLF-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259177;MM259177;N#CC1CC(CO)N1;PRABQSLTEHYXSJ-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259178;MM259178;CC(C)(CO)CC=NN;YMPVUMQATBQFHI-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259179;MM259179;CCC(=O)NN=CN(C)O;TXHXWYNZOUGQLG-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259180;MM259180;CN(O)C=NNC(=O)CO;RUXOEGHFNHGAGW-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259181;MM259181;CN(C)C=NNC(=N)NN;YXBPSLDETCKMCS-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259182;MM259182;CNC(=O)NN=CN(C)C;UNGLUDJYNHGXDI-UHFFFAOYSA-N;144.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259183;MM259183;CN(C)C=NNC(=O)NN;WAZFKCAIUJFTSL-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259184;MM259184;CN(C)C=NNC(=O)NO;ODTBAEBXDCILNK-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259185;MM259185;CC(=CN(N)C=O)CO;GZVAYYMWVMECRS-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259186;MM259186;CC1(C#N)CC(CO)N1;QGALXFSIKHQZLT-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259187;MM259187;COC(=O)NN=CN(C)N;AHSHJGXSZIPXJL-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259188;MM259188;CN(C)N=CNC(=N)CF;OYGHEQGKTQYKTA-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259189;MM259189;CN(C)N=CNC(=O)CF;OHGNUUFSFHCXRQ-UHFFFAOYSA-N;147.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259190;MM259190;CNC(=N)NC=NN(C)C;XRMALYTTWYZGBF-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259191;MM259191;CN(C)N=CNC(=N)NN;GCSLOCOOWUILRX-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259192;MM259192;CN(C)N=CNC(=N)NO;FUSSREGITBKMJO-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259193;MM259193;CNC(=O)NC=NN(C)C;YODCWCOURIKPKA-UHFFFAOYSA-N;144.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259194;MM259194;CN(C)N=CNC(=O)NN;WCTCIIAMVWPGCI-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259195;MM259195;CN(C)N=CNC(=O)NO;QSKNNFVUGYJOKX-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259196;MM259196;COC(=N)NC=NN(C)C;JIXYLLCKXUOBHT-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259197;MM259197;COC(=O)NC=NN(C)C;YYTDKBPZCRSBMU-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259198;MM259198;NC(=O)CON=CC=O;AEHOYAYRMXMIRF-UHFFFAOYSA-N;130.1;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259199;MM259199;NN=CON=CC(N)=O;GRTKWEFHKCDOHB-UHFFFAOYSA-N;130.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259200;MM259200;CNC(=O)NCC=NN;VCDLYVAOQXPNRB-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259201;MM259201;C=C(C=NN)C(=C)CO;DLHMYUJEWRXFIT-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259202;MM259202;C=COc1cc(N)on1;BBFCPKZBJUKSLK-UHFFFAOYSA-N;126.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259203;MM259203;N#CC12CC(O)CC1N2;BDFLMEAWDSERSE-UHFFFAOYSA-N;124.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259204;MM259204;CN1CC1CC1(O)CC1;OGBXSQDYNABZCT-UHFFFAOYSA-N;127.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259205;MM259205;CN(O)C=NOC(=O)NN;UEIQTJMYNYBXSZ-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259206;MM259206;CC1C(C#N)NC1CO;UCHBYDWFFGNATF-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259207;MM259207;C=C(CF)OC=NN(C)C;CPOSJWHGSTYQHO-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259208;MM259208;CNC(=N)OC=NN(C)C;MWWAIFSHFWYAGD-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259209;MM259209;CN1C(C#N)CC1CO;SLFAZSLHQBNNEV-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259210;MM259210;C=CC(=C)CC=CC(C)C;YBCZWGPYEGPDCT-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259211;MM259211;C=C(C=O)CC=CC(C)C;SATGSSMBNNQGLI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259212;MM259212;C=C(C#N)CC=CC(C)C;OPRZYEOGORWVNR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259213;MM259213;C=CC(=O)CC=CC(C)C;CHVPRJPTDSLTPQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259214;MM259214;CC(C)C=CCC(=O)C=O;XHEKPIOPPIEAPG-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259215;MM259215;CC(O)C=CCC(=O)C#N;JBASYINQOFCZTP-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259216;MM259216;CC(C)C=CN=C(N)C=O;MIDUECIWCPVDDF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259217;MM259217;CC(C)C=CNC(=N)C#N;ZKEKAOQGTOGMEN-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259218;MM259218;C=CC(=N)NC=CC(C)F;WNJNRZLWHJEAGH-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259219;MM259219;CC(O)C=CNC(=O)C#N;OQLUPCULOQAROZ-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259220;MM259220;CC(F)C=CNC(=O)C#N;AGDYIYBERQGJLU-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259221;MM259221;N#CC(=O)NC=CC(F)F;YKCHNVJZITZJMB-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259222;MM259222;C=C1CNC(C#N)C1=O;ABIUGAJNYVMBGL-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259223;MM259223;C=NN1CC=C(CO)C1;BZEYIDHOTBQGJY-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259224;MM259224;N#CC1C=C(CO)CN1;RXIUOBZGNUECRV-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259225;MM259225;CC(CC(C)(C)CO)=NN;VBBJZGAWJIGYJH-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259226;MM259226;CC(C)C=NNC(=O)C=O;JHGHODQTKUSZMR-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259227;MM259227;N#CC(=O)NN=CC(F)F;XBEKUZHYSIZMRR-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259228;MM259228;C=CC(=N)NC=NC(C)C;RYWUZCCIDQXXAY-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259229;MM259229;CC(O)CNN=CC(N)=O;VGKVKEPPEKTKTO-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259230;MM259230;C=C(C#N)OC=CC(C)O;SGHPPIRQMPVTRJ-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259231;MM259231;C=C(C#N)OC=CC(F)F;YWNPXABFOHLAQM-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259232;MM259232;C=CC(=O)OC=CC(C)N;DWXTXHYSAJDZBD-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259233;MM259233;CC(O)C=COC(=O)C=O;JBPAIBCEGHDOBH-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259234;MM259234;CC(F)C=COC(=O)C=O;WWKKQPJRUVREOR-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259235;MM259235;CC(C)=NOCOC(N)=O;NZHVIVZGEFARBH-UHFFFAOYSA-N;146.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259236;MM259236;N#CC(=O)ON=CC(F)F;JSERGHMXYDDKGJ-UHFFFAOYSA-N;148.07;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259237;MM259237;C=C(C#N)CN=CN(C)C;NCFLLZJNOLICIW-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259238;MM259238;CNN=CCC(C)(C)CO;KYEYAAWJSXVUIR-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259239;MM259239;CON=CCC(C)(C)CO;XNDSYMJXBIXTHX-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259240;MM259240;CC(CO)NC(=N)C(F)F;CHTSZHPQTMJIQT-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259241;MM259241;C=CC(=O)NN=CN(C)O;FNLCZDSKAXUHDJ-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259242;MM259242;C=CC(=N)NC=NN(C)C;VGRMNAXQVBDVHP-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259243;MM259243;O=CC(=O)C(F)C(=O)CO;VZAUXNLFLACRFN-UHFFFAOYSA-N;148.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259244;MM259244;C=CC(=O)ON=CN(C)C;SJJQRFYMEMBAJW-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259245;MM259245;C=C(CO)CON=C(C)C;HDMUGPNHGWMWGC-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259246;MM259246;CNC(=O)N(N)CC(C)F;HTJMZANZKQVWJQ-UHFFFAOYSA-N;149.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259247;MM259247;N=CN(CC(N)=O)C(N)=O;FTTKWIQOGRGNNN-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259248;MM259248;C=CC(=C)OC=NN(C)C;NVWUOTWYTARDQH-UHFFFAOYSA-N;140.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259249;MM259249;C#CC(=O)CC=CC(C)C;GDIWGRRAMFSISO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259250;MM259250;C#CC(=N)NC=CC(C)F;WYJTYDQJMPSTNO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259251;MM259251;C#CC(=O)NC=CC(F)F;ZUZCZGJXKIZPIF-UHFFFAOYSA-N;145.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259252;MM259252;C#CC(=O)NN=CC(C)N;DRFWHNLIHKNVFX-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259253;MM259253;C#CC(=O)NN=CC(C)O;HOECXPQYTBVRNC-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259254;MM259254;C#CC(=O)NN=CC(F)F;PQHFKXWTYWSBDR-UHFFFAOYSA-N;146.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259255;MM259255;C#CC(=O)NC=NC(C)C;SPDIYLCHYWSFRR-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259256;MM259256;C#CC(=C)OC=CC(C)N;AOORWDNIHBZDEV-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259257;MM259257;C#CC(=C)OC=CC(F)F;FDYBXMOQIXPYTQ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259258;MM259258;NC(=O)CON=CC=CF;AKFNFQYQLGHBBH-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259259;MM259259;C#CC(=O)ON=CC(F)F;HXHWWAJBKPFULG-UHFFFAOYSA-N;147.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259260;MM259260;CN(C(N)=O)N(C=N)C=O;XKARWFZJQBYUDM-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259261;MM259261;COCCNC(=O)N(C)N;IXORXKARJOPWAR-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259262;MM259262;C#CC(=O)ON=CN(C)N;DKVIWKBSTYILNB-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259263;MM259263;C=C(CC)CC=CC(C)=O;WRDPUMMEZOFUSQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259264;MM259264;C=C(CO)CC=CC(C)=O;MWTBMOODMHHWQU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259265;MM259265;C=C(CC)CC=CC(=N)N;HRZUGHOSLJPWHG-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259266;MM259266;C=C(CO)CC=CC(=N)N;OGDSMEGWYIJPMJ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259267;MM259267;C#CC=CNC(=N)C(N)=O;JDUURYXOJCVNAD-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259268;MM259268;CN(C=NCCO)C(N)=O;HGNWVPHLFBIFCA-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259269;MM259269;C=C(CC)CC=CC(=O)O;YVPLWPXUBMEDMW-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259270;MM259270;C=C(CF)C(O)CC(=O)O;NSWFJAGINVPKCE-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259271;MM259271;C=C(F)C=CCC(=C)CN;AGCCNHATPFXGLT-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259272;MM259272;C=C(F)C=CCC(=C)CO;PRHSNUIXSZLPQP-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259273;MM259273;C=C(C)C=CCC(=O)CC;QBIVXBZVYRIQLK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259274;MM259274;C=C(C)C=CCC(=O)CF;WRIPDGANUPXNAB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259275;MM259275;CCC(=O)CC=CC(C)=O;JJQDVEIECQWKJX-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259276;MM259276;N=C(N)C=CCC(=O)CO;CUPPIMMRQOGWQH-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259277;MM259277;NC(=O)C=CCC(=O)CO;JVESJGWRGHHDKW-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259278;MM259278;CC#CC(=O)C(CF)=NO;UGZBUEHZBYFFOJ-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259279;MM259279;C=C(F)C=CCC(=O)CC;KHYLZXXAPMCFLB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259280;MM259280;CN=C(N)CC=CC(C)=O;SZMCUVQDMMLUDS-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259281;MM259281;C=C(C)C=CCC(=O)NO;PDIHAVDXKWWGCF-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259282;MM259282;CNC(=O)CC=CC(C)=O;UJPAPTAFHVGPCW-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259283;MM259283;C=C(F)C=CCC(=O)NO;KSMUDGXSVGWYCA-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259284;MM259284;C=C(CC=CC(C)=O)OC;NISNGBRZQMDTSL-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259285;MM259285;CC(=O)C=CN=C(N)CO;ISLJDHQVGUFEPJ-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259286;MM259286;N=C(N)C=CNC(=N)CN;QFCAOXCBXDYJNL-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259287;MM259287;N=C(N)C=CNC(=N)CO;AYJDMUAVJPJBGW-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259288;MM259288;N=C(N)C=CNC(=N)CF;MMMCUGWYQSTTTL-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259289;MM259289;C=C(F)C=CNC(=N)CN;QJTPOFXINCZBSY-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259290;MM259290;CC(=O)C=CNC(=O)CO;FHVHERBEOJJFSG-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259291;MM259291;N=C(N)C=CNC(=O)CF;QIUJGHUHHVBMAE-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259292;MM259292;C=CCc1nnn[nH]1;GKYAEESRJSQGLY-UHFFFAOYSA-N;110.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259293;MM259293;C=C(C)C=CNC(=N)NC;BQEGXSMVJSWWLI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259294;MM259294;C=C(C)C=CNC(=N)NN;LIASWAYAUDIQII-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259295;MM259295;C=C(C)C=CNC(=N)NO;SHPBOWGFUGHBCQ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259296;MM259296;CC(=O)C=CNC(=N)NO;JXSWGLRAUKMOQB-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259297;MM259297;N=C(N)C=CNC(=N)NN;MCMONSZNMKPVMA-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259298;MM259298;N=C(N)C=CNC(=N)NO;RZEHYAJHCUHINC-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259299;MM259299;CNC(=N)NC=CC(N)=O;PIBCRENHANSWFL-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259300;MM259300;N=C(NN)NC=CC(N)=O;XSKHYBYOMDKEOP-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259301;MM259301;C=C(C)C=CNC(=O)NC;RVHLFFVILZVQQL-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259302;MM259302;N=C(N)C=CNC(=O)NN;VWPIAAVOAACNCS-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259303;MM259303;N=C(N)C=CNC(=O)NO;IIIZCBLTMVNXKT-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259304;MM259304;N=C(C(N)=O)N(N)C=NN;FVNFHIIQFZBYTN-UHFFFAOYSA-N;144.14;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259305;MM259305;C=C(F)C=CNC(=O)NO;VADZUFUGOKIMHI-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259306;MM259306;COC(=N)NC=CC(=N)N;DQNTZMTUYGFMDB-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259307;MM259307;COC(=O)NC=CC(N)=O;CSHBNMLFKSDOQU-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259308;MM259308;N=C(N)C=NNC(=N)CN;XUWGFMAKSZJFMO-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259309;MM259309;Cn1nc(O)c(N)c1F;VPYUHYZHXOBKOQ-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259310;MM259310;Nn1c(F)c(O)n(O)c1=O;JREIWMJWPJNMJN-UHFFFAOYSA-N;149.08;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259311;MM259311;CCC(=O)NN=CC(=N)N;WEJXLFWRSISXIN-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259312;MM259312;N=C(N)C=NNC(=O)CN;NGGKJUMSAMJNKR-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259313;MM259313;N=C(N)C=NNC(=N)NN;HSXRRODERVAGGT-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259314;MM259314;N=C(N)C=NNC(=N)NO;AOPHUKSBXKJGLO-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259315;MM259315;CC=Cc1n[nH]c(=NN)o1;CFMZJCCCPJZSFK-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259316;MM259316;C=C(F)C=NNC(=O)NC;QZAFPIMMAIWHQE-UHFFFAOYSA-N;145.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259317;MM259317;CNN=C(NOC)C(N)=O;LQKRCNKWVJOLIQ-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259318;MM259318;C=C(C)C=NNC(=O)OC;CSUNUEMFSZEJPN-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259319;MM259319;C=C(F)C=NNC(=O)OC;ASSRGQHSCMERHZ-UHFFFAOYSA-N;146.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259320;MM259320;C=C(CC)N=CNC(C)=N;RNPUVJTYRBQTMM-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259321;MM259321;C=C(CN)N=CNC(C)=N;YLAPLMLHQMYPFK-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259322;MM259322;C=C(CC)N=CNC(C)=O;DRXHLKXOZVGJQU-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259323;MM259323;C=C(CO)N=CNC(=N)N;FJRTTXKGWHSHMP-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259324;MM259324;CC(F)=C(C=NN)C(N)=O;XFRKDTUEVDJYEW-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259325;MM259325;CCC(=N)N=CNC(C)=N;FPEWEXVKRHLUHC-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259326;MM259326;CC(=N)NC=NC(=N)CO;HRXSDQMGKTWPQZ-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259327;MM259327;CC(=N)NC=NC(=N)CF;IPWYRSTVOXGXLY-UHFFFAOYSA-N;144.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259328;MM259328;CC(=O)NC=NC(=N)CO;NJTGZYAOSRJWLZ-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259329;MM259329;CCC(=N)NC=NC(=N)N;UUWCLEFXTVPAQT-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259330;MM259330;N=C(N)N=CNC(=N)CN;OTTALXNYBFKWPK-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259331;MM259331;N=C(CO)N=CNC(=N)N;GRPGLOCLCCVMNA-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259332;MM259332;N=C(CF)N=CNC(=N)N;GORFZPXAKBXQKS-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259333;MM259333;CCC(C)(CO)CC=NN;CEABXLJOEAWXHA-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259334;MM259334;CN1C(CO)CC1(C)C#N;DJAMTWKVNAOECV-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259335;MM259335;CC(=N)N=CNC(=O)CF;WHFGELLETJNRET-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259336;MM259336;CCC(=O)N=CNC(C)=O;SWVRUEXDGTXSFK-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259337;MM259337;CCC(=O)NC=NC(=N)N;DRRPNIOKNJBMKC-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259338;MM259338;N=C(N)N=CNC(=O)CO;STVZLYLUEHUIEO-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259339;MM259339;N=C(N)N=CNC(=O)CF;LKZLKPHEKHFIIF-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259340;MM259340;CCC(=O)N=CNC(N)=O;IGPJOQOLTQGSER-UHFFFAOYSA-N;143.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259341;MM259341;NC(=O)N=CNC(=O)CO;NEUVNJVFINSWFC-UHFFFAOYSA-N;145.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259342;MM259342;NC(=O)N=CNC(=O)CF;RYFPTCSDGMWJHO-UHFFFAOYSA-N;147.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259343;MM259343;CNC(=N)N=CNC(C)=N;HCDSTNMCVINNAT-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259344;MM259344;CC(=N)NC=NC(=N)NN;HKQJAYNPGNFDGF-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259345;MM259345;CC(=N)NC=NC(=N)NO;FBZFTNILZIHKJU-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259346;MM259346;CNC(=N)N=CNC(C)=O;DKQPNCCTRXPULF-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259347;MM259347;N=C(N)N=CNC(=N)NO;ZIABNGHTIBYJBR-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259348;MM259348;CNC(=N)N=CNC(N)=O;RFNLESMVADDFND-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259349;MM259349;CC1(CO)CCC(=NN)C1;IZKYTVJUVGAUDM-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259350;MM259350;CC1(C#N)C=C(CO)CN1;JQRIMIVSVWVPJH-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259351;MM259351;CC(=O)N=CNC(=O)NN;NRMZATJEYGFONZ-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259352;MM259352;CC(=O)N=CNC(=O)NO;DVAOTHMNBVYYCN-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259353;MM259353;N=C(N)N=CNC(=O)NN;BFQPNHMDRMIGBA-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259354;MM259354;N=C(N)N=CNC(=O)NO;VUUYQDHKRMVMBM-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259355;MM259355;NNC(=O)N=CNC(N)=O;DETLMMPJERCEAL-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P5";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259356;MM259356;NC(=O)N=CNC(=O)NO;AZVUXWUBZPOUCC-UHFFFAOYSA-N;146.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259357;MM259357;C=C(N=CNC(C)=O)OC;QGSWRPSFJLMHAK-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259358;MM259358;C=C(N=CNC(=N)N)OC;BCPOLSHUTIHNIZ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259359;MM259359;C=C(N=CNC(N)=O)OC;KNKDCAKFZSNPEK-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259360;MM259360;CC(CO)NC(C#N)C=O;GDUPXOQREKZZAW-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259361;MM259361;CCC(CO)NC(=N)C#N;DWQKRPVEZGMIMT-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259362;MM259362;C=C(CF)OC=CC(C)=O;JMWNSPBTRZAGGK-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259363;MM259363;C=C(CO)OC=CC(N)=O;IRGSYUWULTZXHH-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259364;MM259364;CN=C(C#N)NC(C)CO;VRKQBFNYAKYQOV-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259365;MM259365;C=Cc1n[nH]c(=NN)o1;PERCEGXDHLBJQC-UHFFFAOYSA-N;126.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259366;MM259366;C=C(C)C=COC(=O)CF;MCZJTZHCHFLYNG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259367;MM259367;N=C(N)C=COC(=O)CO;SOLBNECCWZICHN-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259368;MM259368;N=C(N)C=COC(=O)CF;ABQGHUYJOOMACV-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259369;MM259369;NC(=O)C=COC(=O)CO;WHPPZHKIWDZXSO-UHFFFAOYSA-N;145.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259370;MM259370;CNN(C=O)C=C(C)CO;YWALNGZMXWOONG-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259371;MM259371;C=C(F)C=COC(=O)CO;LZXYHIRUQZRKCL-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259372;MM259372;C=C(C)C=COC(=O)OC;GQTOFZBQLDZREN-UHFFFAOYSA-N;142.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259373;MM259373;COC(=O)OC=CC(=N)N;NTWVZXOFGFBDED-UHFFFAOYSA-N;144.13;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259374;MM259374;NC(=O)C=NOC(=O)CO;MDRDXZSMETYWKN-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259375;MM259375;CCC(=CN(N)C=O)CO;IJOBGPDJAWDTDB-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259376;MM259376;Nn1c(O)nc(=NO)n1O;DFYVYEOJCBOFMW-UHFFFAOYSA-N;147.09;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259377;MM259377;CC(=O)CC(=O)C#N;RHOWHHJQIHHJKK-UHFFFAOYSA-N;111.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259378;MM259378;C=C(C)C=NOC(=O)NN;KRYXKBRBIPNSRK-UHFFFAOYSA-N;143.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259379;MM259379;CNC(=O)ON=CC(N)=O;HYCJBGROGBUGTH-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259380;MM259380;NNC(=O)ON=CC(N)=O;XEUHOMNVDUOLPK-UHFFFAOYSA-N;146.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259381;MM259381;O=CC1(CCC(=O)O)CC1;SXMYAGNDMJBKFB-UHFFFAOYSA-N;142.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259382;MM259382;C=C(F)C=NOC(=O)NC;VABKVHLZJMEBDY-UHFFFAOYSA-N;146.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259383;MM259383;C=C(F)C=NOC(=O)NN;FBAZNOSAOKFGPR-UHFFFAOYSA-N;147.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259384;MM259384;COC(=O)ON=CC(N)=O;STAXBVXLLKAXHB-UHFFFAOYSA-N;146.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259385;MM259385;C=C(F)C=NOC(=O)OC;ISMFNHWJMMVQAZ-UHFFFAOYSA-N;147.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259386;MM259386;C=CC(=C)CC=CC(C)=O;WDUWBCZAQPPJHG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259387;MM259387;C=C(C#N)CC=CC(C)=O;ULXNCGHNMAQVRJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259388;MM259388;C=CC(=C)CC=CC(=N)N;XHOXARBVNMYALX-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259389;MM259389;C=C(C#N)CC=CC(=N)N;FPVCVSXVOSVBIB-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259390;MM259390;C=CC(=CC(C)=NN)CO;RMNXCFLGYIQICQ-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259391;MM259391;C=CC(=C)CC=CC(=O)O;JXIGWJXHVQGASS-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259392;MM259392;C=C(C)C=CCC(=O)C#N;ZHSMGRRAWAEJCJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259393;MM259393;C=CC(=O)CC=CC(C)=O;FEKQZWNAIIPLMG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259394;MM259394;C=CC(=O)CC=CC(=N)N;JRRIGNZRXIKPKZ-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259395;MM259395;NC(=O)C=CCC(=O)C=O;NRSTWCSJDUVQQW-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259396;MM259396;C=CC(=O)CC=CC(=C)F;DZISKKQNDICYKN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259397;MM259397;CC(=O)NCC(C#N)=CN;DCBONDIZSGKNMK-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259398;MM259398;C=CC(=N)NC=CC(=N)N;FVBMFKQYZYPEIZ-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259399;MM259399;N=C(N)C=CN=C(N)C=O;RZFLMXHPWSBGOB-UHFFFAOYSA-N;140.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259400;MM259400;N#CC(=N)NC=CC(=N)N;LANPXENVUTVUSW-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259401;MM259401;CCC1(C#N)CC(CO)N1;AIJGUBGVPUMZSY-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259402;MM259402;C=CC(C)(CC=O)C(=O)O;JFGVPRKSHOMYJH-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259403;MM259403;C=C(C)OC=CC(=O)O;VKDPYOSWQHSCHL-UHFFFAOYSA-N;128.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259404;MM259404;C=C(C)C=CNC(=O)C=O;VRZZHYMJGQKDFT-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259405;MM259405;CC(=O)C=CNC(=O)C=O;POLRMFDGRYFEET-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259406;MM259406;C=CC(=O)NC=CC(=N)N;SCJUTCVRPDREPR-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259407;MM259407;N#CC(=O)NC=CC(=N)N;WRXQZQFWONKZPL-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259408;MM259408;N#CC(=O)NC=CC(N)=O;XBACYQLSLYEXTB-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259409;MM259409;N#CC1(CF)CC(CO)N1;BNBPYPMSAPPSMM-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259410;MM259410;C=CC1(C#N)CC(CO)N1;CRZGPHDYTYOKIY-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259411;MM259411;CC=COC=CC(=O)O;WBZPNZKWVAXDTJ-UHFFFAOYSA-N;128.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259412;MM259412;N=C(N)C=NNC(=O)C=O;YBOIWTGTYXACMO-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259413;MM259413;N#CC(=O)NN=CC(=N)N;JDGVQNTWYNLTDO-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259414;MM259414;CN(C=O)C=CCC(=O)O;HCMFUHPMSNNPRF-UHFFFAOYSA-N;143.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259415;MM259415;C=C(F)C=NNC(=O)C#N;CXIIOOUDHLSZCT-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259416;MM259416;O=CC1(C=O)CC(CO)N1;RTEIFFSMFRJANL-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259417;MM259417;C=C(C=O)N=CNC(C)=O;JVUYARUOKLVFBY-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259418;MM259418;C=C(C=O)NC=NC(=N)N;IQGSKNILYVEVTB-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259419;MM259419;C=C(C#N)N=CNC(=N)N;FNCHMKGKPREIFH-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259420;MM259420;C=C(C=O)N=CNC(N)=O;ZVNRAJVWGRSAAL-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259421;MM259421;C=C(C#N)N=CNC(N)=O;QMIBOQHUGDMQQH-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259422;MM259422;C=CC(=N)NC=NC(C)=N;RZJNDODXYMAAGA-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259423;MM259423;CC(=N)NC=NC(=N)C#N;OTGWBGGOEPWCSF-UHFFFAOYSA-N;137.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259424;MM259424;CC(=O)NC=NC(=N)C=O;OXBRCEHCYOKYMQ-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259425;MM259425;C=CC(=N)NC=NC(=N)N;JEZPSLIRHPMXOP-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259426;MM259426;N#CC(=N)NC=NC(=N)N;LEMQNGQGXMDSOH-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259427;MM259427;N#CC(=N)N=CNC(N)=O;QODBSGBBKVEPIK-UHFFFAOYSA-N;139.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259428;MM259428;N#CC1(C=O)CC(CO)N1;LECXGYIQICKQNN-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259429;MM259429;C=CC(=O)NC=NC(C)=O;NFWNJXPUAQNYCF-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259430;MM259430;C=CC(=O)NC=NC(=N)N;QORFSLIFDZLIJX-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259431;MM259431;C=CC(=O)NC=NC(N)=O;ROTVSFPUWUEJQA-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259432;MM259432;N#CC1(C#N)CC(CO)N1;BGQZMYXUONOZRZ-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259433;MM259433;C#CCONC(=O)C(N)=O;NLHKAIDJVPOWEN-UHFFFAOYSA-N;142.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259434;MM259434;N=C(N)C=COC(=O)C=O;ZZQODBYEOVUQNO-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259435;MM259435;NC(=O)C=COC(=O)C=O;ZCHBWXGLAGDOOE-UHFFFAOYSA-N;143.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259436;MM259436;C#CC1(C#N)CC(CO)N1;MPSCRFAHHNHHKU-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259437;MM259437;C=CC(=O)ON=CC(N)=O;QYYXAYLLMURSTI-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259438;MM259438;CC(C(=O)O)C1(C)CO1;FRADKJFJRDDHLS-UHFFFAOYSA-N;130.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259439;MM259439;C=C(F)C=NOC(=O)C=O;SHIIWEDSIATBJN-UHFFFAOYSA-N;145.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259440;MM259440;C=C(F)C=NOC(=O)C#N;SLLXGPOPFLRYPL-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259441;MM259441;C#CC(=O)CC=CC(=C)C;KXBFSVPHUMYGPD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259442;MM259442;C#CC(=N)NC=CC(=N)N;YYDHDQLSOCFECZ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259443;MM259443;C#CC(N)=NC=CC(N)=O;RWCVHIWLBRVPFP-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259444;MM259444;C#CC(=O)NC=CC(=N)N;KVGHKJYPJPXOJM-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259445;MM259445;CC1OC1C(C)C(=O)O;PFABHJPVHYVYJO-UHFFFAOYSA-N;130.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259446;MM259446;CC(CO)N(C)C(=N)C#N;PCOMSAOLGDAKTD-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259447;MM259447;CNC(=O)N(C)NCCO;CJROVYYRIJQDMG-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259448;MM259448;C#CC(=N)N=CNC(C)=N;RYGYXNNGYDLLCG-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259449;MM259449;C#CC(=O)NC=NC(=N)N;MVAZKTKQYDBHAK-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259450;MM259450;C#CC(=O)NC=NC(N)=O;CTFLDSZYRZFOHJ-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259451;MM259451;COC1(C)CC1C(=O)O;IDTMWRGKAWZFCI-UHFFFAOYSA-N;130.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259452;MM259452;C#CC(=O)OC=CC(C)=O;QJJWXOOLCOROIB-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259453;MM259453;C#CC(=O)OC=CC(=N)N;ULZLKSLIMDWLLA-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259454;MM259454;COCC(=O)NOCC=O;UPJPLUYSSQSWIT-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259455;MM259455;C#CC(=O)ON=CC(=C)F;ONHNBOOFYUGVQA-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259456;MM259456;CC(=CF)CC=CC(C)N;ZYHZQQOLRYTFJI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259457;MM259457;C=C(CO)CON=CCC;JQKDDSWSSWVKAN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259458;MM259458;CC=C(F)CC=CC(C)N;YKQSKFWMHUTBAV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259459;MM259459;CC(CC=CC(C)C)=NN;COKNOFIWUBRCEP-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259460;MM259460;CC(CC=CC(C)C)=NO;FULZOSLCFOVKDI-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259461;MM259461;C=CC=NOCC(=C)CO;VGOCQQXSNNHSTF-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259462;MM259462;CC(CC=CC(C)F)=NN;ZLXNFLHEBBHVNY-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259463;MM259463;CC(=NC=CC(C)O)NN;BJXFGDGHEZUSNX-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259464;MM259464;C=NOCC1CC1(C)CO;QEGLJQZHIXOBPO-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259465;MM259465;COC(C=NN)OCCO;GXVWLVVBIGUTHX-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259466;MM259466;CC(=NO)NN=CC(F)F;POOOYPLWMMBRHZ-UHFFFAOYSA-N;151.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259467;MM259467;CC=C(C)N=CNC(C)C;GKGGFKNUVOTHRG-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259468;MM259468;CC=C(C)OC=CC(C)C;HIQLAPCFQBAORU-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259469;MM259469;C#CC(CNC=O)=NOC;CYQPDPVYBKFDBW-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259470;MM259470;CC(=NO)OC=CC(C)F;GHGCCFQFTYXKKZ-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259471;MM259471;CC(=NO)OC=CC(F)F;RFVBBGSBWUQXAM-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259472;MM259472;CC=C(C)CN=CN(C)C;CYJFZPJFIFNJKT-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259473;MM259473;CC(CN=CN(C)C)=NO;PFHAIRCQIJTPDB-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259474;MM259474;CN(C)N=CCC(F)=CF;BQPKYVJKFRRETL-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259475;MM259475;CC(CC=NN(C)C)=NO;HDDOLFHCFONUDM-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259476;MM259476;CC=CC(=CC=NN)CO;YLBAVBYYFGJGDS-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259477;MM259477;CNN(C(N)=O)C(=O)CN;NUZXMRHRVUSNSO-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259478;MM259478;CC=C(C)OC=NN(C)C;FTVCUHFMGFKJGF-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259479;MM259479;CC(=CF)OC=NN(C)C;NAKXQFYHOUUXQT-UHFFFAOYSA-N;146.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259480;MM259480;C=C(C)C=CCC(C)=CC;FIQBDODLZGWZOI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259481;MM259481;CC=C(C)CC=CC(C)=O;QUTSNQWKPRKFDM-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259482;MM259482;CC=C(C)CC=CC(=N)N;DOQBLLPBCCLKFZ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259483;MM259483;CC(=NN)C1CC(O)C1C;CPWRTYOVOZUITO-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259484;MM259484;C=NNCCC1(CO)CC1;FCOMCNZUDBXHTP-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259485;MM259485;CC=C(C)CC=CC(=O)O;QRHBMDCDNQMJBP-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259486;MM259486;C=C(C)C=CCC(F)=CF;PQWLKEBHQZTIPP-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259487;MM259487;CC=C(F)CC=CC(=N)N;GLRQIDXMYKKAQP-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259488;MM259488;CC(=O)C=CCC(C)=NO;CSRZWOTUFYHWIZ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259489;MM259489;C=C(F)C=CCC(C)=NN;QAUGVHOJOZAVDL-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259490;MM259490;CN=C(C)NC=CC(=N)N;NJSKAGZTQALECQ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259491;MM259491;CC(=NO)NC=CC(=N)N;HQFKHYKLRVGVLY-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259492;MM259492;C#CC1(C(=O)NCC)CN1;BAMBAPJUZAKHIU-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259493;MM259493;CN=C(C)NN=CC(=N)N;GWPVSVRMOMRKPL-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259494;MM259494;CC(=NN=CC(=N)N)NN;KVYDENGPUSBFGN-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259495;MM259495;CC(=NO)NN=CC(=N)N;QDXQEVJFPGUWQY-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259496;MM259496;CC=C(C)N=CNC(C)=N;BBJRAZDTESWMFC-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259497;MM259497;CC(=O)NC=NC(C)=NN;UNXUTQHPJKJCCB-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259498;MM259498;CN=C(C)N=CNC(=N)N;BSBWLKIJMFXLFH-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259499;MM259499;CC(N=CNC(=N)N)=NN;MTRSHRXHGKPJMD-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259500;MM259500;CC1CC1NC(C#N)C#N;OSRQLHZGXXRKAA-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259501;MM259501;CC(N=CNC(N)=O)=NO;ISGWRUAGVPPWFV-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259502;MM259502;C=C1C(CO)=CC2NC12C;VNERKEHUUOEDPT-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259503;MM259503;N#CC=C1CCC(CO)N1;VVAQREJZMHPVFO-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259504;MM259504;CC(=NN)OC=CC(=N)N;KPSIHZCEZZYFPO-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259505;MM259505;CC=NN1CC=C(CO)C1;USXACVUMOGYDPY-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259506;MM259506;CC(=NO)OC=CC(N)=O;RRQXRRLRWVHGFO-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259507;MM259507;CC=Cc1cc(NN)n[nH]1;BAWIPMDGSJCTCH-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259508;MM259508;C#CC(C)ONC(=O)CO;KOOICZAMSTVVOA-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259509;MM259509;CC(C)C#CCC(C)CN;UYLBDTUFENFZFP-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259510;MM259510;CC#CC(CO)CN1CC1;DVZPMSNTPDDZJF-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259511;MM259511;CC(N)C#CCC(C)CN;NHVXKUMMISEBSI-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259512;MM259512;CC(N)C#CCC(C)CF;QAFXXRRPOYCBKV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259513;MM259513;CC(F)C#CCC(C)CN;RCEYEBMIQMGLJA-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259514;MM259514;CC(F)C#CCC(C)CF;KIFXEWYYUANSGE-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259515;MM259515;CCC(C)CC#CC(F)F;NZRJTUWWJFGMKX-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259516;MM259516;C=NN1CC(CO)=CC1C;WZNHNFQXYSAQMV-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259517;MM259517;CCC(N)CC#CC(C)C;HMWSNZUGPSXDOS-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259518;MM259518;CC(C)C#CCC(N)CN;HAPXGMUTDVAUDS-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259519;MM259519;CC(C)C#CCC(N)CF;GDYZINUXYPRMLF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259520;MM259520;CCC(N)CC#CC(C)F;OAAOAVPGJSNVEP-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259521;MM259521;CC(F)C#CCC(N)CN;ZRMSLUDWUGLELK-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259522;MM259522;CC(C)C#CCC(O)CN;PFIYIVJCWMORIU-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259523;MM259523;CC(C)C#CCC(O)CO;JAKXVZJRGYQWQN-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259524;MM259524;CC(F)C#CCC(O)CO;HWWOYVLUAYMEEL-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259525;MM259525;CC(F)C#CCC(O)CF;WBYJGJXJECGFBN-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259526;MM259526;CC(O)C#CCC(F)CN;BIJCVTOLXCCKLD-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259527;MM259527;CC(F)C#CCC(F)CO;SQSFEXDBNCHXFQ-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259528;MM259528;CNC(C)CC#CC(C)C;KIXDTGLLWODWRF-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259529;MM259529;CNC(C)CC#CC(C)F;YRMVLXQPRINKPL-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259530;MM259530;CNC(C)CC#CC(F)F;PLFGLUNZWBDHBZ-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259531;MM259531;CC(F)C#CCC(C)C#N;NRBHRGGMGNTWQW-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259532;MM259532;C=CC(C)CC#CC(F)F;IUOIWQRAIZQJFN-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259533;MM259533;CC(C=O)CC#CC(F)F;IHLIDHYPHYYLIT-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259534;MM259534;CC(C#N)CC#CC(F)F;TZLJGSRFGXYDHV-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259535;MM259535;C=CC(N)CC#CC(C)N;PRYZYQNZHLRFNS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259536;MM259536;C=CC(N)CC#CC(F)F;SSJSFVJUCHZZLM-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259537;MM259537;C=CC(O)CC#CC(C)C;UCIPIUCQEQFRFX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259538;MM259538;CC(C)C#CCC(O)C=O;ZWRXSRKDVNQADJ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259539;MM259539;C=CC(O)CC#CC(C)F;MPCFEAVSNGDXEC-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259540;MM259540;CC(F)C#CCC(O)C#N;HDVHYHLGSFYJNW-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259541;MM259541;C=CC(O)CC#CC(F)F;DXNVGXQBHHHGHR-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259542;MM259542;O=CC(O)CC#CC(F)F;KLWZAPFBNYLNME-UHFFFAOYSA-N;148.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259543;MM259543;CC(C)C#CCC(F)C#N;QHVOANLRZZDGFG-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259544;MM259544;CN(C=N)CC#CC(F)F;QXOZCTWUQBWZNH-UHFFFAOYSA-N;146.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259545;MM259545;N#CC1NC1CC1(O)CC1;CSWQIFBXNINULB-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259546;MM259546;CC(C)C#CCN(N)C=O;RWIJEJDSAKUGEH-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259547;MM259547;CC(F)C#CCN(N)C=N;OISJYJJWVFPRDV-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259548;MM259548;CC(F)C#CCN(N)C=O;HJNVNJRQGJAAQR-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259549;MM259549;C=NN1CC1CC1(O)CC1;LFOGVEGOBKCPII-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259550;MM259550;CC(N)C#CCN(O)C=N;RZOQLPVSRFANTP-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259551;MM259551;C=NN(C)CC#CC(C)F;CUFCBSIALJNZPM-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259552;MM259552;C#CC(C)CC#CC(F)F;TYNUJQQKOVIDRH-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259553;MM259553;C#CC(N)CC#CC(C)F;RMJGCXYBVFNOSR-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259554;MM259554;CCC(C)CC#CC(C)=O;IHNALVJRYBPGIN-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259555;MM259555;C#CC1NC1CC1(O)CC1;YVYYNHTYNGQRNR-UHFFFAOYSA-N;137.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259556;MM259556;CC(CN)CC#CC(=N)N;CWHVTUNONIRLBQ-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259557;MM259557;CCC(C)CC#CC(N)=O;PTPCIGCTHVQJKN-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259558;MM259558;CC(CN)CC#CC(N)=O;QJUASZJYTPMRTJ-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259559;MM259559;CC(CF)CC#CC(N)=O;IGAUVOMOMJQPOW-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259560;MM259560;CC(CF)CC#CC(=O)O;VYRKZLRZIZFMBV-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259561;MM259561;C=C(F)C#CCC(C)CN;HPRIZANUGVVHDI-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259562;MM259562;N=C(N)C#CCC(N)CN;FNHMRGDPFFCVCI-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259563;MM259563;N=C(N)C#CCC(N)CF;DTJUEXNXXSQHLU-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259564;MM259564;CCC(N)CC#CC(N)=O;ARNLXRIINXZNTR-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259565;MM259565;NCC(N)CC#CC(N)=O;RZXLUXAIWCIHPD-UHFFFAOYSA-N;141.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259566;MM259566;NC(=O)C#CCC(N)CO;KJNNFCMTWMRAFC-UHFFFAOYSA-N;142.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259567;MM259567;C#CC(CO)C1CN1CC;SJVBWGKQXWBGKG-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259568;MM259568;C=C(C)C#CCC(O)CF;JCKSQWRGQHYIHW-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259569;MM259569;C#CC(CO)C1NC1C=C;QNUYNTOGYQKFOJ-UHFFFAOYSA-N;137.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259570;MM259570;CC(=O)C#CCC(O)CO;OXRDBJBUYCWSHD-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259571;MM259571;NC(=O)C#CCC(O)CF;UMATVBIAHXSEDB-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259572;MM259572;C=C(C)C#CCC(F)CN;ZJFHITPFTGKKSF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259573;MM259573;C=C(C)C#CCC(F)CF;ZUFGNGIOLHBKKJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259574;MM259574;CCC(F)CC#CC(C)=O;DEEIOFZIMMLAGH-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259575;MM259575;CC(=O)C#CCC(F)CF;YSWZYOYDQYCQQL-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259576;MM259576;N=C(N)C#CCC(F)CN;LDHIAIAFWNWQHF-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259577;MM259577;N=C(N)C#CCC(F)CF;DDTFFFIDUSWLDY-UHFFFAOYSA-N;146.14;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259578;MM259578;NCC(F)CC#CC(N)=O;QMLDCAZKLBXWRI-UHFFFAOYSA-N;144.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259579;MM259579;NC(=O)C#CCC(F)CO;XRBCMJXRVDYYNM-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259580;MM259580;C=C(F)C#CCC(F)CN;IQOYXAASUZROHW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259581;MM259581;C=C(C)C#CCC(C)NC;NTPHEZRJKAAAPH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259582;MM259582;CNC(C)CC#CC(N)=O;XZCAOMXATUZLAG-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259583;MM259583;C=C(F)C#CCC(C)NC;MXGSSHDLSGWMDW-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259584;MM259584;C=C(C)C#CCC(C)OC;FINZEGAOIKGUED-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259585;MM259585;C=C(C)C#CCN(C)CC;IMOWLUKCRKNYDN-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259586;MM259586;CCN(C)CC#CC(=N)N;BXPOIXSJIIIEMK-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259587;MM259587;C=C(C)C#CCC(C)C=O;YAJCAERWNPILGX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259588;MM259588;C=C(C)C#CCC(C)C#N;CCZCGGFHJFITHQ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259589;MM259589;C=CC(C)CC#CC(C)=O;ONMCLQBBJCJGMD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259590;MM259590;CC(=O)C#CCC(C)C=O;NHKLPPJYUVIRFM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259591;MM259591;CC(=O)C#CCC(C)C#N;TYXNZQJRWPVQOP-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259592;MM259592;CC(C=O)CC#CC(=N)N;NDSTXUFXNHSQJA-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259593;MM259593;CC(C#N)CC#CC(=O)O;ROCWPFXYPNAEIC-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259594;MM259594;C=CC(N)CC#CC(=N)N;FXCOMNPAFRMTHS-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259595;MM259595;C=CC(N)CC#CC(N)=O;ZTGWRMHJJLJPCY-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259596;MM259596;C=CC(O)CC#CC(=C)C;MMBWVXOQLWFNIV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259597;MM259597;C=C(C)C#CCC(O)C#N;DTTLKXWCAVINGO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259598;MM259598;N#CC(O)CC#CC(=N)N;FONKVVSNYSBURS-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259599;MM259599;N#CC(O)CC#CC(N)=O;WLLNQMGJVIVWBI-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259600;MM259600;CCC1(O)CC1C(=O)O;XLJWUMQWXFODPS-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259601;MM259601;C=CC(O)CC#CC(=C)F;QTTHVLUJHKUPCZ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259602;MM259602;C=C(F)C#CCC(O)C=O;DUKWBUFDISUYBV-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259603;MM259603;C=C(C)C#CCC(F)C#N;HMJBHQBHIHCSEK-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259604;MM259604;CC(=O)C#CCC(F)C#N;YFBGTPCQCUQOFG-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259605;MM259605;C=CC(F)CC#CC(N)=O;ZKYUHQXSNZGCDU-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259606;MM259606;NC(=O)C#CCC(F)C=O;ABTVSVUGNUPOLU-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259607;MM259607;N#CC(F)CC#CC(N)=O;RFSPXZZIJVOWHD-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259608;MM259608;C#CC(CO)C1NC1C#N;HLXJSNUFIJNXQR-UHFFFAOYSA-N;136.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259609;MM259609;CN(C=N)CC#CC(=N)N;CXTSHBXEDISQFK-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259610;MM259610;CN(C=O)CC#CC(=N)N;VZJKORFPHJIINV-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259611;MM259611;CN(C=N)CC#CC(N)=O;YKFDNZANVXLWNR-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259612;MM259612;CN(C=O)CC#CC(N)=O;UCTVZRUZUNWWCE-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259613;MM259613;C=C(C)C#CCN(N)C=O;RLNKYHCQTNRYHU-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259614;MM259614;N=CN(N)CC#CC(=N)N;LPNOVWMIPGEYCX-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259615;MM259615;N=C(N)C#CCN(N)C=O;ACZHYWZJAMNIER-UHFFFAOYSA-N;140.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259616;MM259616;N=CN(N)CC#CC(N)=O;YACMKSHLDCUDOA-UHFFFAOYSA-N;140.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259617;MM259617;C#CC(CO)C1CN1N=C;INWWPTAQFUFABW-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259618;MM259618;CC(C(=O)O)C1(O)CC1;IUFDJXFUUAZFSZ-UHFFFAOYSA-N;130.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259619;MM259619;N=CN(O)CC#CC(=N)N;LPGQUAGNMVBXOS-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259620;MM259620;O=C(O)C=CC(O)CCF;JXBQPDAMYRYEPC-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259621;MM259621;C=NN(C)CC#CC(=C)C;WCUAKOZGWCFNAY-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259622;MM259622;C=NN(C)CC#CC(=N)N;LVBZVEJJBFDWDQ-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259623;MM259623;CNC(=O)CCC(=O)O;RGWXLLFCRBVSBL-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259624;MM259624;C=NN(C)CC#CC(=C)F;OMTKSWNBYANING-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259625;MM259625;C#CC(C)CC#CC(=C)C;HXXDSFAGLUOUDI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259626;MM259626;C#CC(C)CC#CC(C)=O;QBNNLYDHOUVNHR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259627;MM259627;C#CC(C)CC#CC(=N)N;FIMLVPQJWPNHFB-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259628;MM259628;C#CC(C)CC#CC(=O)O;CMMWLDIFXDMGFE-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259629;MM259629;C#CC(N)CC#CC(=C)C;HPSHHLAGIMTSJX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259630;MM259630;C=C(CCO)C(=C)C(=O)O;WVHAYTKARJXXNN-UHFFFAOYSA-N;142.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259631;MM259631;C#CC(F)CC#CC(=N)N;MITUITKMQKVJPP-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259632;MM259632;C=C(CC)CC#CC(C)C;GRXGICWVGYVSJD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259633;MM259633;C=C(CO)CC#CC(C)C;BYQDVPGYCNYAJD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259634;MM259634;C=C(CN)CC#CC(C)N;XPWDMUUVAVZVGV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259635;MM259635;C=C(CC)CC#CC(C)O;MRTYNLIWOQFIRL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259636;MM259636;C=C(CC)CC#CC(C)F;BJORQRDJQDMIHU-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259637;MM259637;C=C(CN)CC#CC(C)F;JQSWBXBUPOROBV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259638;MM259638;C=C(CC)CC#CC(F)F;RIPQHAGJZYJCBD-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259639;MM259639;C=C(CO)CC#CC(F)F;MGCWQTHZCWJHLD-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259640;MM259640;C=C(CF)CC#CC(F)F;BBNWVQVCJKZPTM-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259641;MM259641;CC(C)C#CCC(=O)CO;KTSPSRCMNROGJK-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259642;MM259642;CCC(=O)CC#CC(F)F;GUQVDSZTDZSHPQ-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259643;MM259643;CC(C)C#CCC(=N)NN;DSNJAVSZPPLCCS-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259644;MM259644;CNC(=N)CC#CC(C)F;GZCFBEBILMQKRR-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259645;MM259645;CC(F)C#CCC(=N)NN;LITUNBONRVPXKM-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259646;MM259646;C=NN1CC1C(=CC)CO;MNZVVRJVTHLNEY-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259647;MM259647;CNC(=O)CC#CC(C)O;VSLZYMNHPQIBGP-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259648;MM259648;C=C(C=O)CC#CC(C)C;VMMBLLQZRODRIJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259649;MM259649;C=C(C#N)CC#CC(C)C;CBIQXRPJDADKNL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259650;MM259650;C=CC(=C)CC#CC(C)F;AKTYDFQYXNMFLI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259651;MM259651;C=C(C#N)CC#CC(C)F;GOGQMFVKXZFQOF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259652;MM259652;C=CC(=C)CC#CC(F)F;YXDSQOPOLVYBAG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259653;MM259653;C=C(C#N)CC#CC(F)F;WXOSHVNTZPYRIG-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259654;MM259654;C=CC(=O)CC#CC(C)C;NEPGPEKUIULBLQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259655;MM259655;CC(C)C#CCC(=O)C=O;ZMEIUKMHQNMIOB-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259656;MM259656;CC(C)C#CCC(=O)C#N;WGSGNEIADWFVQQ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259657;MM259657;C=CC(=O)CC#CC(C)F;AWLQHVZVRLCDBZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259658;MM259658;CC(F)C#CCC(=O)C=O;CAIGQZIJNZCBJI-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259659;MM259659;CC(F)C#CCC(=O)C#N;INMVWCSMXBUFPC-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259660;MM259660;C=CC(=O)CC#CC(F)F;FQNPWFRHNQYBEK-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259661;MM259661;O=CC(=O)CC#CC(F)F;MTEAVSVRDAYDHH-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259662;MM259662;C#CC(=C)CC#CC(C)C;QXGMFWQKOKKWHG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259663;MM259663;C#CC(=C)CC#CC(C)F;RJKLLMMVNXHVEP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259664;MM259664;C#CC(=C)CC#CC(F)F;KWWHPFIQLAANGL-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259665;MM259665;C#CC(=O)CC#CC(F)F;FRMHNVGMFODKKK-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259666;MM259666;C=C(C)C#CCC(=C)CC;AQKTWIBEPSOJJA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259667;MM259667;C=C(C)C#CCC(=C)CO;BSRLBAZGLKSVRB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259668;MM259668;C=C(C)C#CCC(=C)CF;DHQXWKCQMRYHCM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259669;MM259669;C=C(CC)CC#CC(C)=O;GRJVBRJOPADECB-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259670;MM259670;C=C(CN)CC#CC(=N)N;RVNNBBVKWAMVCF-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259671;MM259671;C=C(CC)CC#CC(N)=O;MUEBGNXMNGXOGH-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259672;MM259672;C=C(CN)CC#CC(N)=O;XFSAHAFULYJTNN-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259673;MM259673;C=C(CF)CC#CC(N)=O;KGINIJDBTIIAAZ-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259674;MM259674;C=C(CC)CC#CC(=O)O;LPXLKYYLGOHRMD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259675;MM259675;C=C(F)C#CCC(=C)CO;KBPKACFYWMJIMJ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259676;MM259676;C=C(C)C#CCC(=O)CF;SKUVUJBFHVZRSL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259677;MM259677;CCC(=O)CC#CC(C)=O;HCHQSDGBGPWAGS-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259678;MM259678;CCC(=O)CC#CC(=N)N;MXFMRWKRCXSGLU-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259679;MM259679;N=C(N)C#CCC(=O)CF;YWBBGQXNPKUOAX-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259680;MM259680;CC=NN=C(C)CC(=O)O;MKHKXYLSHDNXKW-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259681;MM259681;C=C(C)C#CCC(=N)NC;KHJOTVMBVMBETH-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259682;MM259682;N=C(N)C#CCC(=N)NN;HZNGEDUJEHHALF-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259683;MM259683;N=C(N)C#CCC(=N)NO;ODYJEFZNNNQPID-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259684;MM259684;CN=C(N)CC#CC(N)=O;UIOZNQHASYSHNJ-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259685;MM259685;CC(=O)NCC=CC(=O)O;FFMCJGYZAHPFJO-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259686;MM259686;CNC(=O)CC#CC(=N)N;CIUFAWFBUPABQF-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259687;MM259687;N=C(N)C#CCC(=O)NN;MVOPPBLPIRQODC-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259688;MM259688;C#CC(CO)C1C(C)N1C;UMHJODBHZUWGQD-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259689;MM259689;C#CC(C)(F)C(=NO)OC;OHXXKCWBSXLXSV-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259690;MM259690;C=C(C)C#CCC(=C)OC;XOSPIWXQBLJMQN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259691;MM259691;C=C(CC#CC(C)=O)OC;QNZOBQPOKAGZDL-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259692;MM259692;COC(=O)CC#CC(=N)N;TVQKUYWJVRZEJL-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259693;MM259693;COC(=O)CC#CC(N)=O;OGHWFPGIDNYDQR-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259694;MM259694;CC(C=CC(=O)O)NC=O;ASVVVKGQQLWGPT-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259695;MM259695;C=C(C)C#CCC(=C)C=O;UZPPEQHWRXXYKJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259696;MM259696;C=C(C)C#CCC(=C)C#N;CRQIUKBYGALICS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259697;MM259697;C=CC(=C)CC#CC(C)=O;APKFHMWGHXHERM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259698;MM259698;C=C(C=O)CC#CC(C)=O;RZGNDQMCXJGGMU-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259699;MM259699;C=C(C#N)CC#CC(C)=O;XVBMHOIAEUCSJV-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259700;MM259700;C=C(C#N)CC#CC(N)=O;TWVACXWXKYTFKV-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259701;MM259701;C=CC(=C)CC#CC(=O)O;SQTPLOLHBOKICG-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259702;MM259702;C=CC(=O)CC#CC(=C)C;KIMPQVIONHDYJD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259703;MM259703;C=C(C)C#CCC(=O)C=O;JDCLCGSUDDFYKG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259704;MM259704;C=C(C)C#CCC(=O)C#N;NZTNFKFAUHDRRH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259705;MM259705;C=CC(=O)CC#CC(C)=O;RXOHMKXZOSUVBF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259706;MM259706;CC(=O)C#CCC(=O)C=O;DKFHRINMLBVQCI-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259707;MM259707;N=C(N)C#CCC(=O)C=O;ATZBOTUGNXPIOF-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259708;MM259708;N#CC(=O)CC#CC(=N)N;YIKPWIQBNFXBBD-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259709;MM259709;C=CC(=O)CC#CC(N)=O;KVNLMHGZACTVAV-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259710;MM259710;C=C(F)C#CCC(=O)C=O;RIJHXAQTVFHWMW-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259711;MM259711;C#CC(=C)CC#CC(=C)C;RAFHRCNOEVSINX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259712;MM259712;C#CC(=C)CC#CC(C)=O;MHSBSYQLAQZKCM-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259713;MM259713;C#CC(=C)CC#CC(=N)N;CCJMUDVFVLDUOQ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259714;MM259714;C#CC(=C)CC#CC(N)=O;YAGAJANPIMQIJU-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259715;MM259715;C#CC(=C)CC#CC(=O)O;GXLNTMSLHMLTOI-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259716;MM259716;C#CC(=O)CC#CC(=C)C;ZZPFSEPKJQQJRL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259717;MM259717;C#CC(=O)CC#CC(N)=O;USTIMHDMDGDIET-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259718;MM259718;CC=C(C)CC#CC(C)C;AJWLYQKZHSLQLO-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259719;MM259719;CC(=CF)CC#CC(C)N;BZEAJYAFYJYYMR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259720;MM259720;CC=C(C)CC#CC(C)O;ZFHDXMWMZDKPSR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259721;MM259721;CC(=CF)CC#CC(C)O;SSQOZGZKZCGJEZ-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259722;MM259722;CC=C(C)CC#CC(C)F;BFEUMSDFPAGWSF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259723;MM259723;CC(=CF)CC#CC(C)F;RVIKMQSXPBVMKJ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259724;MM259724;CC=C(F)CC#CC(C)O;BDNWJIDAMOMGNX-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259725;MM259725;CC=C(F)CC#CC(F)F;LQZIFENUZUDRMW-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259726;MM259726;CC(CC#CC(C)C)=NN;BYXOKZXWJIBUFR-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259727;MM259727;CC(CC#CC(C)N)=NO;DVUHMQJLEMXCSX-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259728;MM259728;CC(CC#CC(C)F)=NN;FYSJZIZMQRFHIX-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259729;MM259729;CC(CC#CC(C)F)=NO;LKHOSRUYHWEPGB-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259730;MM259730;OCC1CCC2(CF)CN12;DEKHLMKJLRMYKK-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259731;MM259731;CC(CC#CC(F)F)=NO;LJWGXTMUBWAEFC-UHFFFAOYSA-N;147.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259732;MM259732;C=C(C)C#CCC(C)=CC;HUHPBSHXKBXMOM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259733;MM259733;C=C(C)C#CCC(C)=CF;JYCLXGZNTAUIFT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259734;MM259734;CC=C(C)CC#CC(C)=O;BNXQMVKNUQBYQZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259735;MM259735;CC(=O)C#CCC(C)=CF;UWLLINMAEYYEOG-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259736;MM259736;CC=C(C)CC#CC(=N)N;GENCSSXVVXQCEF-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259737;MM259737;CC=C(C)CC#CC(N)=O;ZVYZZAHVGBFXID-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259738;MM259738;CC(=CF)CC#CC(N)=O;CJSNDQXCXQRCKM-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259739;MM259739;CC=C(C)CC#CC(=O)O;KOVRXAQENVKBQV-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259740;MM259740;CC(=CF)CC#CC(=O)O;SXDSZMRUPDKJQI-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259741;MM259741;CC=C(F)CC#CC(C)=O;IFOVZTCQGKUBGZ-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259742;MM259742;CC(=O)C#CCC(F)=CF;ZDGMGLKXSIBNCF-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259743;MM259743;C=C(C)C#CCC(C)=NN;LZHRWVIGNNMWLB-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259744;MM259744;C=C(C)C#CCC(C)=NO;SOCKQISHPUMTGV-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259745;MM259745;CC(CC#CC(=N)N)=NO;LLTGLZLGFOXVDA-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259746;MM259746;CC(CC#CC(N)=O)=NO;XUPCJRDBQOTGCE-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259747;MM259747;CC(C)CC=CC(C)CN;YIROERNEXOWMGL-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259748;MM259748;CCC(C)C=CCC(C)N;QHKPVRADPGKERS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259749;MM259749;CC(N)CC=CC(C)CN;DLEWQAQHJWQQLN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259750;MM259750;CC(N)CC=CC(C)CO;PEXYNEZZMKFVCH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259751;MM259751;CC(O)CC=CC(C)CN;MBVOSJVOMIVUIM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259752;MM259752;CC(F)CC=CC(C)CN;PKCSNSLALAVJCQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259753;MM259753;CC(C=CCC(F)F)CN;RRLVVFOXAOKIAL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259754;MM259754;CCC(N)C=CCC(C)C;QJFHTFLWDFVSLF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259755;MM259755;CC(C)CC=CC(N)CN;KNAPORGEEVDGDU-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259756;MM259756;CC(C)CC=CC(N)CO;YCKZQQFOMOABNO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259757;MM259757;CCC(N)C=CCC(C)N;WDHYZLHORMCMSX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259758;MM259758;CCC(N)C=CCC(C)O;IFXDQTUNROELBH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259759;MM259759;CC(O)CC=CC(N)CN;DKZQHCCEAHWTOP-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259760;MM259760;CC(O)CC=CC(N)CO;ROBVKMLXMMRVTE-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259761;MM259761;NC(C=CCC(F)F)CO;HWBRNWUQFXJPAS-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259762;MM259762;CC(C)CC=CC(O)CN;KLWUPLDACLVKOJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259763;MM259763;CC(C)CC=CC(O)CO;RKUIBPGHSDCYOW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259764;MM259764;CCC(O)C=CCC(C)N;KLETZTVCWUNERO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259765;MM259765;CC(O)CC=CC(O)CN;GOQVSIHZODIQQQ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259766;MM259766;C=CC12CCC(CO)N1C2;JVXAGRVHINDBSD-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259767;MM259767;CC(F)CC=CC(O)CF;RDBFSWGRWXJWTH-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259768;MM259768;NCC(O)C=CCC(F)F;GXVBDUFXGZEJLJ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259769;MM259769;OCC(O)C=CCC(F)F;YTHJSIUCSZCPHH-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259770;MM259770;OC(C=CCC(F)F)CF;MLATVRFFXFVPPE-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259771;MM259771;CC(C)CC=CC(F)CN;MOADFVKNRZYYQH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259772;MM259772;CC(O)CC=CC(F)CN;ZHGZRMNPSHWAJW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259773;MM259773;CC(F)CC=CC(F)CO;OBIOLGCKDPFGSS-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259774;MM259774;OCC(F)C=CCC(F)F;UHWDCOVCHDKBDW-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259775;MM259775;CNC(C)C=CCC(C)O;KXHGKDZGYBCJMI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259776;MM259776;COC(C)C=CCC(C)N;IBYCVOGEKHNPCZ-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259777;MM259777;CCC(C)C=NNC(C)C;SLIUTAICHAUBQX-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259778;MM259778;CC(C=NNC(C)C)CF;FYGWYGHUIHNWBH-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259779;MM259779;CCC(N)C=NNC(C)C;JTUPZBGZGYVXBG-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259780;MM259780;CC(C=NOC(C)C)CN;UXACGSGWKCSRIU-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259781;MM259781;O=CC12CCC(CO)N1C2;WXXNMOCDICJBEH-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259782;MM259782;CCC(N)C=NOC(C)C;GQTGWOPOWNCBJV-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259783;MM259783;CC(C)ON=CC(N)CN;HJBLFJBMIMBDTN-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259784;MM259784;CC(C)ON=CC(N)CO;NAOOZXJPCDXXMV-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259785;MM259785;Nc1n[nH]cc1F;ORLRTNMBWQIKSI-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259786;MM259786;CC(C)ON=CC(O)CN;KYDJXIQMESIIPE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259787;MM259787;N=Cn1cnc(N)n1;QMIXENHVLXEQMJ-UHFFFAOYSA-N;111.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259788;MM259788;CCC(F)C=NOC(C)C;WEYYQASVPQLFAZ-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259789;MM259789;C=NOCOCCO;RUNXGHXJCPQYGT-UHFFFAOYSA-N;119.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259790;MM259790;CNC(C)C=NOC(C)C;LUHRJHMATBQEEV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259791;MM259791;COC(C)C=NOC(C)C;NOJBOWXTJNYQTH-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259792;MM259792;CN(C)CC=CC(N)CN;OCSSKHOQOGMIIL-UHFFFAOYSA-N;143.23;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259793;MM259793;CN(C)CC=CC(N)CF;QSKQBIDCOVJVGM-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259794;MM259794;CCN(C)C=NCC(C)C;SEHPNKQAJNIHEV-UHFFFAOYSA-N;142.25;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259795;MM259795;CCN(C)C=NCC(C)F;GHUGSGRIWBUECO-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259796;MM259796;CCN(C)C=NCC(F)F;GRVTZPPNDMUICU-UHFFFAOYSA-N;150.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259797;MM259797;CCN(N)C=NCC(C)C;LQYHDDXQBUXZSR-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259798;MM259798;CCN(N)C=NCC(C)O;NEFYLYLIKRRCFY-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259799;MM259799;CNN(C)C=NCC(C)N;ZRRKSAOWDUBQEG-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259800;MM259800;CNN(C)C=NCC(C)O;NLFCIVJNICGKNP-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259801;MM259801;CON(C)C=NCC(C)N;PFZTWJSCZAIIBY-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259802;MM259802;CCN(C)C=NNC(C)C;MSLIXWGMPMZTGV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259803;MM259803;CON(C)C=NOC(C)C;JOLGOKCICMITMM-UHFFFAOYSA-N;146.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259804;MM259804;NN=CCOCCO;FAWCNMKIEPOVTQ-UHFFFAOYSA-N;118.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259805;MM259805;C=CC(C)C=CCC(C)N;SVOWBBXYOHUIPT-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259806;MM259806;CC(C)NC(C#N)C#N;WERZALPOTVBJAA-UHFFFAOYSA-N;123.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259807;MM259807;CC(C=O)C=CCC(C)F;PBRBWQVFSAMJSS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259808;MM259808;CC(C=O)C=CCC(F)F;NZPZIKZLRJWMRY-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259809;MM259809;C=CC(N)C=CCC(C)O;HSHGITXRLINLFI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259810;MM259810;C=CC(O)C=CCC(C)C;GOMDJPLIVDNNAZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259811;MM259811;C=CC(O)C=CCC(C)N;QHGOUJLZYSYJHU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259812;MM259812;CC(CO)N(C)CC#N;UVDZSCRAAPOSIZ-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259813;MM259813;CC(O)CC=CC(O)C=O;LMBOYGXVCQNVIW-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259814;MM259814;CC(F)CC=CC(O)C=O;VUUSZSHRTAFPHH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259815;MM259815;CC(F)CC=CC(O)C#N;COXWHGZETBCVTG-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259816;MM259816;N#CC(O)C=CCC(F)F;GFUOMZHHPBYMNH-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259817;MM259817;CC(F)CC=CC(F)C=O;WUTGFFWNHZIOHU-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259818;MM259818;C=CC(C)C=NNC(C)C;ALGCDABLTNXJLQ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259819;MM259819;C=CC(O)C=COC(C)C;GOCPDAGGMCKSSF-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259820;MM259820;C=CC(C)C=NOC(C)C;HRMANJVUANJNJU-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259821;MM259821;C=NNCCC1(O)CC1;HQQIXEYGCWAMKD-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259822;MM259822;C=CC(N)C=NOC(C)C;SUMXIVVWVFVPNE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259823;MM259823;N=CN(C=NN)C(N)=O;SUIFAWRSECRMMY-UHFFFAOYSA-N;129.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259824;MM259824;N=CNc1cc(N)[nH]n1;HVZVHIMVXJKCFD-UHFFFAOYSA-N;125.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259825;MM259825;CC(C#N)C=CCN(C)C;BNMSFWVDHRJUSU-UHFFFAOYSA-N;138.21;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259826;MM259826;C=CC(F)C=CCN(C)C;CKGFPUJJHOCHSI-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259827;MM259827;CC(F)CC=CN(C)C=O;FVDLWNVUTXHREV-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259828;MM259828;CN(C=O)C=CCC(F)F;SPFVUGDXQKYYOV-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259829;MM259829;CC(C)CC=CN(N)C=N;OWWVZCMXQHEJGT-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259830;MM259830;CC(C)CC=CN(N)C=O;XMXMJJYNGBPEBB-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259831;MM259831;CC(F)CC=CN(N)C=N;ZVPOZINZAFCFKY-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259832;MM259832;CC(C)CC=CN(O)C=N;DAQBLIGRDJOCPZ-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259833;MM259833;CC(C)CC=CN(O)C=O;YZIMQKWZPVJXTP-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259834;MM259834;CC(F)CC=CN(O)C=N;VZUVHJZYPJEQGZ-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259835;MM259835;CC(F)CC=CN(O)C=O;PHDBEVLHYUJQGJ-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259836;MM259836;C=CN(C)C=NCC(C)C;ULCPBZPLXZNLGE-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259837;MM259837;CC(C)CN=CN(C)C=O;DOPCXWMXAXMVIR-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259838;MM259838;CC(N)CN=CN(C)C=N;KXSBRCUQWGKAIN-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259839;MM259839;Cc1c[nH]c(N=N)c1F;IGOSXGSBYFIDQX-UHFFFAOYSA-N;127.12;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259840;MM259840;C=CN(C)C=NCC(C)F;HYNZDAPKIKJCKM-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259841;MM259841;C=NN(C)C=NCC(C)F;KTXMUFNKZVFVQR-UHFFFAOYSA-N;145.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259842;MM259842;C=CN(C)C=NNC(C)C;LAAMMGOVDWXONL-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259843;MM259843;CC(C)NN=CN(C)C=N;HJSYFHZXFSCRDL-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259844;MM259844;CC(C)OC=CN(N)C=O;OZTJROKZIIVHFI-UHFFFAOYSA-N;144.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259845;MM259845;C=CN(C)C=NOC(C)C;ATNOHOHRYHYLRW-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259846;MM259846;CC=C(CO)C1CN1C;BKIGYWQRICAIES-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259847;MM259847;CC(C)CC=NN(C)C=O;GZCRKMACGRBALK-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259848;MM259848;CC(N)CC=NN(C)C=O;FRXIKZQWQNINEL-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259849;MM259849;C#CC(CO)CNN=C;LTZGIUGVCXRQQJ-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259850;MM259850;CC(F)CC=NN(C)C=N;DTJHCWZCDIQEDH-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259851;MM259851;CC(C)OC=NN(C)C=O;MMEUNJTYXFOLKE-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259852;MM259852;C#CC(C)C=CCC(F)F;JGOYTHBSFYQQFE-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259853;MM259853;C#CC(N)C=CCC(C)C;KKFJYJZPXYYVGI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259854;MM259854;C#CC(F)C=NNC(C)C;LAEUTIKPUIGNBV-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259855;MM259855;N#CC1CCC(CO)N1;AVNPKZCJHULAJL-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259856;MM259856;C=C(C)CC=CC(C)CN;ISBSCLUUABYJDR-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259857;MM259857;CC(=O)CC=CC(C)CO;IBFLWRVXBVKMLX-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259858;MM259858;CC(C=CCC(=N)N)CN;FKCVMRHQWQFSHZ-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259859;MM259859;CC(C=CCC(=N)N)CF;BSFFTACLOXFIIY-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259860;MM259860;CCC(C)C=CCC(N)=O;VUMIGOAPPWHFDW-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259861;MM259861;CNc1cc(C=O)c[nH]1;HZORXDMWMAJQBF-UHFFFAOYSA-N;124.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259862;MM259862;C=C(F)CC=CC(C)CN;YFGMQLKPIPCWRB-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259863;MM259863;C=C(C)CC=CC(N)CC;LMITUMGKJPFYTI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259864;MM259864;C=C(C)CC=CC(N)CN;CXDHEBVMRKCFNU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259865;MM259865;C=C(C)CC=CC(N)CO;BZPUGJPIHDVUPX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259866;MM259866;CCC(N)C=CCC(=N)N;CFOBKVQYZJFDPI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259867;MM259867;C=C(C)CC=CC(O)CF;IABHBZUZEHZNNB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259868;MM259868;CCC(O)C=CCC(=N)N;PZSMLQKFKKLOFS-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259869;MM259869;C#CC(CO)CN1CC1;AOESWUQOZNDOAR-UHFFFAOYSA-N;125.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259870;MM259870;C=C(F)CC=CC(O)CO;WZVGODMSGSOQEA-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259871;MM259871;C=C(C)CC=CC(F)CN;PNZMAYGXSWYFHJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259872;MM259872;C=C(C)CC=CC(C)NC;WZZZUXXMCZQTCB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259873;MM259873;CNC(C)C=CCC(N)=O;YYGLJYUVBCKCTK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259874;MM259874;COC(C)C=CCC(=N)N;YNVAWQOUNDHNTA-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259875;MM259875;COC(C)C=CCC(N)=O;PZMOEMZSSMIFEV-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259876;MM259876;CC(=N)NC=CC(C)CN;HWLYKMPNRAPXHR-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259877;MM259877;CCC(C)C=CNC(C)=O;KWQKJQJFDKTZLR-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259878;MM259878;CC(=O)NC=CC(C)CF;BFLZIFYXNUTCOV-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259879;MM259879;CC(C=CNC(=N)N)CN;RZUIELSTDIEASV-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259880;MM259880;CCC(C)C=CNC(N)=O;NHLPBWFSFMZHBW-UHFFFAOYSA-N;142.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259881;MM259881;CC(C=CNC(N)=O)CN;OJHXDABAVOKGCZ-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259882;MM259882;CC(C=CNC(N)=O)CF;VXWISIHOXJSXGP-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259883;MM259883;CCC(N)C=CNC(C)=N;BIJVEINJVZTTER-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259884;MM259884;CCC(N)C=CNC(C)=O;VOTXHKBOCFFLSM-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259885;MM259885;CC(=O)NC=CC(O)CF;CFMWSSBRWFHUSC-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259886;MM259886;CCC(O)C=CNC(=N)N;CFPHAKIJTOEFKK-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259887;MM259887;CCC(O)C=CNC(N)=O;QQUOXYRXZFMPDP-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259888;MM259888;CC(=O)NC=CC(F)CO;KHYAWRBNDBDEHV-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259889;MM259889;CCC(F)C=CNC(=N)N;LGRNSVQBGSDVBP-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259890;MM259890;N=C(N)NC=CC(F)CN;WKGRMFAJFATYQV-UHFFFAOYSA-N;146.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259891;MM259891;N=C(N)NC=CC(F)CO;NZWJQBMRHJJWCJ-UHFFFAOYSA-N;147.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259892;MM259892;NC(=O)NC=CC(F)CF;NEZYCRWSPOFYJU-UHFFFAOYSA-N;150.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259893;MM259893;CNC(C)C=CNC(C)=N;PVYZXODRBGTOQO-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259894;MM259894;CNC(C)C=CNC(C)=O;JGQUYWURRPSQQR-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259895;MM259895;CNC(C)C=CNC(N)=O;QXMXKAZANOQZTG-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259896;MM259896;CC(=N)NN=CC(C)CN;SKHZRXOEVVMCCV-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259897;MM259897;CCC(C)C=NNC(C)=O;OWYVFWFRHNBART-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259898;MM259898;CC(=O)NN=CC(C)CO;BRTOBSKPXWVOKS-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259899;MM259899;CC(C=NNC(=N)N)CN;QODSIEAKYGNDFL-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259900;MM259900;CCC(C)C=NNC(N)=O;JZDOKDSBKHEARE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259901;MM259901;CC(C=NNC(N)=O)CN;QPJROPCMYKLKPJ-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259902;MM259902;N=C(N)NN=CC(N)CN;HCVNLDILHDXIOF-UHFFFAOYSA-N;144.18;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259903;MM259903;N=C(N)NN=CC(N)CO;MNGDHPSGSGPIHT-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259904;MM259904;N=C(N)NN=CC(N)CF;LOLPLKACGIFFAM-UHFFFAOYSA-N;147.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259905;MM259905;NCC(N)C=NNC(N)=O;CCUZOFDMTGZXPJ-UHFFFAOYSA-N;145.17;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259906;MM259906;CC(=O)NN=CC(O)CO;UHCNQERPHHUVDK-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259907;MM259907;CC(=O)NN=CC(O)CF;BFDXAXJATBXAAZ-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259908;MM259908;CCC(O)C=NNC(=N)N;LTWWCZPYQBYQLN-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259909;MM259909;N=C(N)NN=CC(O)CN;RBWXIULNPLCPBQ-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259910;MM259910;N=C(N)NN=CC(O)CF;KIIUQISJXCEYRJ-UHFFFAOYSA-N;148.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259911;MM259911;NCC(O)C=NNC(N)=O;VNHDCAWCEVBZLJ-UHFFFAOYSA-N;146.15;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259912;MM259912;NC(=O)NN=CC(O)CO;RMMPYGPFOXKUJK-UHFFFAOYSA-N;147.13;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259913;MM259913;NC(=O)NN=CC(O)CF;LFIHGSIARIIOQG-UHFFFAOYSA-N;149.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259914;MM259914;CCC(F)C=NNC(C)=O;QVKPEZNCERJZPP-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259915;MM259915;CC(=O)NN=CC(F)CO;AAKDCRCYDQYXIS-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259916;MM259916;N=C(N)NN=CC(F)CF;XGNFSNIDZBHETB-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259917;MM259917;CCC(F)C=NNC(N)=O;QOWXSLUTZDNQTK-UHFFFAOYSA-N;147.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259918;MM259918;NC(=O)NN=CC(F)CO;FQPWQDZJDWMJMU-UHFFFAOYSA-N;149.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259919;MM259919;NC(=O)NN=CC(F)CF;OLTAEUDUMSYAGU-UHFFFAOYSA-N;151.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259920;MM259920;CNC(C)C=NNC(N)=O;ISCXWRDVUOQDEA-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259921;MM259921;COC(C)C=NNC(=N)N;OFBXSKUFZDPSSN-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259922;MM259922;C=C(C)OC=CC(C)CC;ZMNOLAWYBWEMQG-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259923;MM259923;CCC(C)C=COC(C)=O;SXHSVWXSDJNLFJ-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259924;MM259924;CC(=O)OC=CC(C)CO;WDKAEDCKWPAFQC-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259925;MM259925;C=C(C)OC=CC(C)NC;OYMIWNICYVTYGT-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259926;MM259926;CC(=O)ON=CC(C)CF;PTALRFMYZJSQEQ-UHFFFAOYSA-N;147.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259927;MM259927;N#CC(C#N)NC1CC1;YXFSPKGYEWHTAU-UHFFFAOYSA-N;121.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259928;MM259928;C=CC1CN1C(C)CO;ISHOIUVQHLTTSS-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259929;MM259929;CCC(N)C=NOC(=N)N;SXLCXGNLMDTQTP-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259930;MM259930;N=C(N)ON=CC(N)CN;WULCTKINUTZWRM-UHFFFAOYSA-N;145.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259931;MM259931;CCC(N)C=NOC(N)=O;ZIDIQSMNVUYDLG-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259932;MM259932;NCC(N)C=NOC(N)=O;LMAMOLPAEOIFLI-UHFFFAOYSA-N;146.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259933;MM259933;CC(=O)ON=CC(O)CF;VKCKDELUXBTQGR-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259934;MM259934;N=C(N)ON=CC(O)CN;OZGHTOVHKXSXQY-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259935;MM259935;NCC(O)C=NOC(N)=O;XHOFEFNWWDTBRB-UHFFFAOYSA-N;147.13;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259936;MM259936;NC(=O)ON=CC(O)CO;RPLPVGRZBQVHBJ-UHFFFAOYSA-N;148.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259937;MM259937;CC(=O)ON=CC(F)CN;WBIUTLDPVCXKRU-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259938;MM259938;CC(=O)ON=CC(F)CO;RUGNYCHUOBJNMN-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259939;MM259939;N=C(N)ON=CC(F)CN;QZFOZIIUBLMRLX-UHFFFAOYSA-N;148.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259940;MM259940;C=C(C)CN=CN(C)CC;FQNYBWSSJULVDD-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259941;MM259941;CCN(C)C=NNC(C)=O;SVOYSACTRKFSID-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259942;MM259942;CCN(C)C=NNC(=N)N;DCCQTNCTGFXJBO-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259943;MM259943;CCN(N)C=NNC(=N)N;XEEDMHZYZGKCRB-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259944;MM259944;CC(CO)N1CC1C=O;VNMFRKGFGXNYBA-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259945;MM259945;CCN(O)C=NNC(=N)N;JWARZIHYKJSQQR-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259946;MM259946;CNN(C)C=NNC(=N)N;CGBWPSZRCVFLFB-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259947;MM259947;CON(C)C=NNC(C)=O;MGZDVYVXUJXSLH-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259948;MM259948;CON(C)C=NNC(=N)N;WRJVAOKPSXSMBC-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259949;MM259949;C#CC1CN1C(C)CO;YDJZQFWFQWTEMU-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259950;MM259950;C=NNCCOCCO;BOXAHZCOZOLSBG-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259951;MM259951;NN=CCCOCCO;YPBQKYFQWMDSIC-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259952;MM259952;C=C(C)OC=NN(C)CC;ARMIZJGQLXEFKA-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259953;MM259953;CCN(C)N=COC(C)=O;FTOPNCQARPQJLT-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259954;MM259954;C=C(C)CC=CC(C)C=O;ILWKRMRAHOUPHI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259955;MM259955;C=CC(C)C=CCC(C)=O;NPDHVPBOKYLVMA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259956;MM259956;CC(=O)CC=CC(C)C#N;JGMUYYPVAOGXBW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259957;MM259957;C=CC(C)C=CCC(=N)N;UAHXWEMIGRWFRV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259958;MM259958;C=CC(C)C=CCC(N)=O;BBJWGYLAKSTTEQ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259959;MM259959;CC(C=O)C=CCC(N)=O;JYXUSUCXSWQEDN-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259960;MM259960;CC(C#N)C=CCC(N)=O;UMTXDPWFTIUACN-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259961;MM259961;CC(C#N)C=CCC(=O)O;RQQLEANEUWJTGX-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259962;MM259962;C=CC(N)C=CCC(=C)C;IDUVRDRBWMJXMS-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259963;MM259963;C=C(C)CC=CC(O)C=O;VNHPAVMKIBOQKR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259964;MM259964;CC(=O)CC=CC(O)C#N;KKLJNMKYVUXOCT-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259965;MM259965;C=CC(O)C=CCC(=N)N;IRRLDYZKXLHMLP-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259966;MM259966;C=CC(O)C=CCC(N)=O;OAQLCWGXRLIONI-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259967;MM259967;CC=CC1C=CC(=O)N1;ZZUJISIFYKUZPH-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259968;MM259968;Cc1nocc1O;KUMOAOQYJJANKL-UHFFFAOYSA-N;99.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259969;MM259969;C=C(F)CC=CC(O)C=O;FXLCYLXFAXQGKX-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259970;MM259970;C=CC(F)C=CCC(C)=O;CHUYKUCDRZJUFE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259971;MM259971;C=CC(C)C=CNC(C)=N;BALFONYWEPDTPD-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259972;MM259972;CC(N)=NC=CC(C)C=O;LNUDPOCKZAIIOF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259973;MM259973;CC(C#N)C=CNC(=N)N;PFYYYHGDDZVYET-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259974;MM259974;C=CC(C)C=CNC(N)=O;WJFBWNBDAJCCSW-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259975;MM259975;CC(C#N)C=CNC(N)=O;GUDHTPSUABPBJE-UHFFFAOYSA-N;139.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259976;MM259976;C=CC(N)C=CNC(=N)N;NIYPDYSELCWLED-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259977;MM259977;CC(=N)NC=CC(O)C#N;HEOCRIKBEAMFAC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259978;MM259978;C=CC(O)C=CNC(C)=O;MOQWUOIDRLWQMC-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259979;MM259979;CC(=O)NC=CC(O)C#N;KQANVHYCRHZKGT-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259980;MM259980;C=CC(F)C=CNC(C)=N;VTKXMTHDPSUMKA-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259981;MM259981;C=CC(F)C=CNC(C)=O;SVYBBEQMIGSSIH-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259982;MM259982;N=C(N)NC=CC(F)C=O;QRLRKNHHXBMOCC-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259983;MM259983;C=CC(F)C=CNC(N)=O;ZPVLHDMBFLZWCD-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259984;MM259984;O=C(NCCO)C1CN1;XVYRGXACUGNKKR-UHFFFAOYSA-N;130.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259985;MM259985;CC(C=O)C=NNC(=N)N;RVHFVKLVGSQCIB-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259986;MM259986;C=CC(C)C=NNC(N)=O;NDCJCERFAJXUPI-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259987;MM259987;CC(C=O)C=NNC(N)=O;RHXZVNDIMJLARH-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259988;MM259988;C=CC(N)C=NNC(=N)N;WEXOPFGDDXQLCR-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259989;MM259989;C=CC(O)C=NNC(=N)N;BABONDWAMVOENK-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259990;MM259990;N=C(N)NN=CC(O)C=O;RZWKPQMKSVKXNB-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259991;MM259991;NC(=O)NN=CC(O)C=O;HYGLCXWJOPEKPY-UHFFFAOYSA-N;145.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259992;MM259992;N#CC(F)C=NNC(=N)N;XWUWGLAPSHCAHR-UHFFFAOYSA-N;143.13;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259993;MM259993;C=C(C)OC=CC(C)C#N;NXDNOFLORFTHHR-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259994;MM259994;CC(=O)OC=CC(C)C#N;BAAXQBAPCRDTOQ-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259995;MM259995;C=CC(N)C=COC(C)=O;CKIAAPXJEWMNEB-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259996;MM259996;C=C(C)OC=CC(O)C#N;HZSJXRVUWFVYET-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259997;MM259997;C=CC(F)C=COC(C)=O;ZTYFDJHBWSNXLE-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259998;MM259998;CC(=O)OC=CC(F)C=O;ZKXGQTXJEMTDIU-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM259999;MM259999;OCCOCCN1CC1;OJGHXBHCUOZJAG-UHFFFAOYSA-N;131.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260000;MM260000;CC1C2C=C(CO)CN12;NFOULXWPBMRPSY-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260001;MM260001;C=CC(O)C=NOC(N)=O;FLDKIYDCLGCSKN-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260002;MM260002;NC(=O)ON=CC(O)C=O;AXPAIGBSBPZUOT-UHFFFAOYSA-N;146.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260003;MM260003;C=CC(F)C=NOC(C)=O;WRNUTQKIOABKRI-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260004;MM260004;C=C(C)CC=CN(C)C=O;ZFPMNMOCKNIFKD-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260005;MM260005;CC(=O)CC=CN(C)C=O;RIEDSQXRQBDFLD-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260006;MM260006;CN(C=N)C=CCC(=N)N;CWIBJUZZVMSPNF-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260007;MM260007;CC(=CCC(=O)O)C(N)=O;ZAARAQXCLJBQGH-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260008;MM260008;C=C(F)CC=CN(C)C=O;IMRDGJNXBQBOGR-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260009;MM260009;C=C(C)CC=CN(N)C=O;QJISTOQXEVRCMJ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260010;MM260010;C=C(C)CC=CN(O)C=O;MQKQABYSPQLKOQ-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260011;MM260011;CC(=O)CC=CN(O)C=N;WSIWYGBFCNRBFI-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260012;MM260012;N=C(N)CC=CN(O)C=O;XNGVMDTZLQDKLZ-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260013;MM260013;C=C(F)CC=CN(O)C=N;DVZVMNKAPGGUJT-UHFFFAOYSA-N;144.15;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260014;MM260014;C=C(F)CC=CN(O)C=O;PMIYPBLNJRCMIB-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260015;MM260015;C=CN(C)C=NCC(=C)C;NOXBZKVJYPFXIA-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260016;MM260016;C=C(C)CN=CN(C)C=O;XUWOQZCGTWYFAX-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260017;MM260017;N=c1nc2c(co1)NC2;MAABOULDLUFJND-UHFFFAOYSA-N;123.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260018;MM260018;C=CN(C)C=NCC(=N)N;JRRYHRHRSPYGAD-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260019;MM260019;C=CN(C)C=NCC(N)=O;HLDNCIZRTMKWOP-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260020;MM260020;CN(C=N)C=NCC(N)=O;GYHIESVVYYBQQD-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260021;MM260021;C=CN(C)C=NCC(=C)F;GBLAWMWPIBTGAL-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260022;MM260022;N=CN(N)C=NCC(=N)N;PJKSRUQRZBOLNT-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260023;MM260023;C=C(F)CN=CN(N)C=O;NRHYOWSAYWTOBX-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260024;MM260024;C=CN(O)C=NCC(=N)N;JRSVPACDNZPJMB-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260025;MM260025;N=CN(O)C=NCC(=N)N;HBJZRLGKKNGIQB-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260026;MM260026;C=NN(C)C=NCC(=C)C;OTXSPTPWCJSFTF-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260027;MM260027;CC(=N)NC=CN(C)C=N;XXRYHUGIOUDSOR-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260028;MM260028;CC(=O)NC=CN(C)C=N;YQANRXCAHUDMKB-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260029;MM260029;CN(C=N)C=CNC(=N)N;OQWUKDYCOVOMDL-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260030;MM260030;CN(C=O)C=CNC(=N)N;PHJYIAAEMZAMAE-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260031;MM260031;CN(C=N)C=CNC(N)=O;JRIIPOJGXUTRTG-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260032;MM260032;CN(C=O)C=CNC(N)=O;XALLOSPECLCVEJ-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260033;MM260033;N=CN(N)C=CNC(=N)N;UUZIJIFLCDVUCJ-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260034;MM260034;N=C(N)NC=CN(N)C=O;DGMVXPXNDZSHPE-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260035;MM260035;C=NNC(C)(C)C(=C)CO;VVTXJYUEULVHPJ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260036;MM260036;CC(=N)NC=CN(O)C=N;MYSHXNHKKOVNBW-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260037;MM260037;N=CN(O)C=CNC(=N)N;XONIJPMGEVCGOT-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260038;MM260038;C=CN(C)C=NNC(=N)N;AORGCUWJDVRSQZ-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260039;MM260039;CN(C=O)C=NNC(N)=O;YGOLLLTWBMYEEB-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260040;MM260040;C=NOCCC(C)(C)CO;TYACBAHGABVHLT-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260041;MM260041;CC(=O)NN=CN(N)C=O;OQRDHPVENWWWPN-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260042;MM260042;C=CN(N)C=NNC(=N)N;LEASVNHQRREJPB-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260043;MM260043;N=CN(N)C=NNC(=N)N;RFVLVQYMLOEHPS-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260044;MM260044;CC1(O)CC1CN(N)C=O;PKGXQXIZOQAVIV-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260045;MM260045;C=CN(O)C=NNC(=N)N;LIOQKEYYGQESSK-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260046;MM260046;C=CN(O)C=NNC(N)=O;JLUUSRXHHWTUCC-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260047;MM260047;C=NN(C)C=NNC(C)=O;QMIDMWXNMFOHRX-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260048;MM260048;C=C(C)OC=CN(C)C=N;AOLNPFUNXKUVMI-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260049;MM260049;C=C(C)OC=CN(C)C=O;LBTCGRMPEKEYJE-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260050;MM260050;CC(=O)NCC(N)=CC#N;XWBYAKLNGBBPKF-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260051;MM260051;C=C(C)CC=NN(C)C=O;KMMMYOZHFYLTEK-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260052;MM260052;CN(C=N)N=CCC(=N)N;XUCFHUXQJVZURH-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260053;MM260053;CN(C=O)N=CCC(=N)N;YHHJSWDHXZBMEC-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260054;MM260054;C=C(C=C(F)C=NN)CO;NWBUUJPFDNBHSB-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260055;MM260055;Cc1c(NO)noc1O;QZLCBTUDMFHABG-UHFFFAOYSA-N;130.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260056;MM260056;C=Cc1noc(O)c1C;ZOEJPPRSCQHAQR-UHFFFAOYSA-N;125.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260057;MM260057;C=C(F)CC=NN(C)C=O;XMDPBNMDNFVDEU-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260058;MM260058;C=C(C)OC=NN(C)C=N;VJVYDLKGFSVFLG-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260059;MM260059;C=C(C)OC=NN(C)C=O;BHDRORCCUWBUED-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260060;MM260060;CC(CO)N(C)CC(F)F;AKOHAYYDPGQAAQ-UHFFFAOYSA-N;153.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260061;MM260061;CN(C=O)N=COC(N)=O;CAGGTRQPQDMAGJ-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260062;MM260062;C#CC(C)C=CCC(C)=O;LFHNJGLRTKQQAZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260063;MM260063;C#CC(C)C=CCC(=N)N;NFDHAJYDSZDFGK-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260064;MM260064;C#CC(C)C=CCC(N)=O;QWJRPKADLAURLC-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260065;MM260065;C#CC(N)C=CCC(=C)F;SQXODQCXPROCEP-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260066;MM260066;C=Cn1ncc(C#N)c1O;BESLGXOLPRFTQR-UHFFFAOYSA-N;135.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260067;MM260067;C#CC(C)C=CNC(C)=O;LORHFVHIXFMQRZ-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260068;MM260068;C#CC(O)C=CNC(C)=N;WZWMGLRVHNHFKZ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260069;MM260069;C#CC(F)C=CNC(C)=O;SAYMNVZMGIIIOA-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260070;MM260070;C#CC(C)C=NNC(N)=O;MFPVATXASPJMJM-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260071;MM260071;C#CC(N)C=NNC(=N)N;SCLWFGVBBHOADY-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260072;MM260072;C#CC(O)C=NNC(C)=O;PXAWJISJZKGZMS-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260073;MM260073;C#CC(O)C=COC(C)=O;OOSONBVDHHHTCJ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260074;MM260074;N=NC=C(CC(N)=O)NO;NQYHEEPKZHAIMN-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260075;MM260075;CC(F)=CC(=NN)C(N)=O;ZBJDIEPJBGMXKJ-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260076;MM260076;C=C(C=CCC(C)C)CO;TYTPQIYEXLZNBO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260077;MM260077;C=C(C=CCC(C)O)CN;BNMGXCKWUFMJIW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260078;MM260078;C=C(C=CCC(C)F)CN;UNQNLDICJNADDV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260079;MM260079;C=C(C=CCC(F)F)CN;MPHPUOQCBCOQBX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260080;MM260080;CC(C)CC=CC(=O)CO;MXISZKYKQINPDZ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260081;MM260081;CC(O)CC=CC(=O)CO;XCIBTTFUYQHURJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260082;MM260082;CC#CC=NOCC(N)=O;SFBQTQNGXBHJGG-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260083;MM260083;CCC(=O)C=CCC(F)F;ILERBODFOUFNHH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260084;MM260084;CNC(=N)C=CCC(C)N;WBXIXNIODZLXJO-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260085;MM260085;CN(O)C=NOCCCO;WZZDTBFYRNADBB-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260086;MM260086;CN(C)N=CCOCCO;ZEKOWZGORBDBDD-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260087;MM260087;CC(C)=NOCOCCO;WGZUDXYYVIVITK-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260088;MM260088;O=C(C=CCC(F)F)NO;JTEBNUDTPNDNKX-UHFFFAOYSA-N;151.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260089;MM260089;CCC(=O)C=CNC(C)C;SEVNMLFIBYSSKB-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260090;MM260090;CC(C)NC=CC(=O)CO;KBWJPUWXCYWCHL-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260091;MM260091;CC(C)NC=CC(=O)CF;JGWLULLRBHUISR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260092;MM260092;CNC(=N)C=CNC(C)C;QCTCDBIOKSSMQU-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260093;MM260093;C=C(C=NNC(C)C)CC;DKTOMRVZZDRLIO-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260094;MM260094;C=C(C=NNC(C)C)CF;GPHPNXAJAWHLRK-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260095;MM260095;C=C(C=NNC(C)C)OC;XAYYQFBDVVNYKK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260096;MM260096;CNC(=N)C=COC(C)C;YNIFYSDGPPNCHA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260097;MM260097;C=C(C=NOC(C)C)CN;HUCLUDUOACTXRN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260098;MM260098;CC(C=NN)COCCO;GFGXACIZQZBIAZ-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260099;MM260099;CNN=C(C)COCCO;YQUKFIRMVCUKMO-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260100;MM260100;CON=C(C)COCCO;UMRILRWPKLKEJJ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260101;MM260101;CC(C)ON=CC(=O)NO;DRTCLAJHOQIOAK-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260102;MM260102;CN(C)CC=CC(=N)NN;QPGSXJNPKCEIAS-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260103;MM260103;C=CC(=C)C=CCC(C)C;PVCGJWWKUWDOJK-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260104;MM260104;C=C(C=O)C=CCC(C)C;QOIHAUWZAQBQQB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260105;MM260105;N#CC=C(N)COCCO;CDENJDZLZMPTOV-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260106;MM260106;C=C(C=O)C=CCC(C)F;KHYHOTVYTHZRDG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260107;MM260107;C=CC(=O)C=CCC(C)C;DXKISBHQESRBMY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260108;MM260108;CC(C)CC=CC(=O)C=O;ZGVYTKCSTXDQPV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260109;MM260109;CN(N)C(=O)COCCO;NTJZDTSDNHDAQB-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260110;MM260110;CC(F)CC=CC(=O)C=O;BLKPVLAHGMRPJW-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260111;MM260111;O=CC(=O)C=CCC(F)F;GNDPCNWHQRNGEM-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260112;MM260112;C=CC(=O)C=CNC(C)C;BLQKTKCOCMGHFX-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260113;MM260113;C=CC(=C)C=NNC(C)C;FCJNINKPUNOPHG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260114;MM260114;C=C(C=O)C=NNC(C)C;OSTURJZIGBZESI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260115;MM260115;CN(N)C(=O)NCCCO;JDDYVXCFRUJPKU-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260116;MM260116;C#CCCNC(=O)N(C)N;KKJWMHOCZKORFK-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260117;MM260117;C=C(C#N)C=NOC(C)C;DWQISACLKWBKFZ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260118;MM260118;C=CC(=O)C=NOC(C)C;AKPYQRYBBSAMGZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260119;MM260119;C#CC(=C)C=NNC(C)C;XEYNWUXZLVPCSC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260120;MM260120;N=C(N)C(=O)COCCO;JCLUPMAWMZMPGS-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260121;MM260121;C=C(C=CCC(C)=O)CC;XINUJKOACPXILB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260122;MM260122;C=C(C=CCC(C)=O)CO;XKBDUULGRYHEQD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260123;MM260123;C=C(C=CCC(=N)N)CC;MEOMPKFJFNUYAV-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260124;MM260124;C=C(C=CCC(=N)N)CN;SPQBRQPPXUBATJ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260125;MM260125;C=C(C=CCC(N)=O)CC;UMVMPNBPLUOVLO-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260126;MM260126;C=C(C=CCC(N)=O)CN;AOXGDDCCCAWQOK-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260127;MM260127;C=C(C)CC=CC(=O)CC;ARYQQVXPAOZKQD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260128;MM260128;C=C(C)CC=CC(=O)CF;NZGMITMSVZBPQX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260129;MM260129;CC(=O)CC=CC(=O)CF;ZMTXURRBCKEGBJ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260130;MM260130;NC(=O)CC=CC(=O)CF;ZJGKGMGCHWRRBM-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260131;MM260131;CNC(=N)C=CCC(=N)N;RREUKABLINFKEM-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260132;MM260132;CCn1onc(O)c1=N;KAQRAUFVQWBTDK-UHFFFAOYSA-N;129.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260133;MM260133;C=C(F)CC=CC(=N)NN;LSDIXBXHBSFONB-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260134;MM260134;NN=CNN=C(N)C(N)=O;TXZVNMNTXUWCAM-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260135;MM260135;CNC(=O)C=CCC(=N)N;VFUAOSGZKXFZRR-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260136;MM260136;C=C(C=CNC(C)=O)CN;SRBOJGJNDIIWKW-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260137;MM260137;C=C(C=CNC(=N)N)CC;PNYWPGTZABZRJC-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260138;MM260138;C=C(C=CNC(=N)N)CN;BNGIFFUYSOQIDW-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260139;MM260139;C=C(C=CNC(=N)N)CO;FTSRLBAGIJUFIE-UHFFFAOYSA-N;141.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260140;MM260140;C=C(C=CNC(=N)N)CF;CKUOZWARSIUTKZ-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260141;MM260141;C=C(C=CNC(N)=O)CC;DIWWCONFWVFJRE-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260142;MM260142;C=C(C=CNC(N)=O)CN;OLJLBCRCITXGJY-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260143;MM260143;C=C(C=CNC(N)=O)CF;UQPBKUKLMSDAGJ-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260144;MM260144;CC(=O)NC=CC(=O)CF;BWLJOAOUBBCEJW-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260145;MM260145;N=C(N)NC=CC(=O)CO;OGDCVFMJLXKIHL-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260146;MM260146;CC(=N)NC=CC(=N)NO;MNMSKORDBAQVNO-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260147;MM260147;CC(=O)NC=CC(=N)NN;DVADMVTVIVOADG-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260148;MM260148;N=C(N)NC=CC(=N)NN;HWCAXUFHYQPGGD-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260149;MM260149;N=C(N)NC=CC(=N)NO;JQBIHCKSPFOJLB-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260150;MM260150;CNC(=N)C=CNC(N)=O;KFBQVDMVFPIHJB-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260151;MM260151;CC(=N)NC=CC(=O)NN;QCNWOECRDHSVEH-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260152;MM260152;C=C(C=CNC(=N)N)OC;HYJGGOYVPRALNN-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260153;MM260153;COC(=O)C=CNC(N)=O;YSTIBVAJTJZJAZ-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260154;MM260154;C=NNC=NN(C)C(N)=O;GCOMOYCVRFWVRT-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260155;MM260155;C=C(C=NNC(=N)N)CC;QQHDALVNRFEHCW-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260156;MM260156;C=C(C=NNC(=N)N)CN;PZDJEYHQYRMTNC-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260157;MM260157;C=C(C=NNC(=N)N)CF;QBHHUXAYTRVBCE-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260158;MM260158;C=C(C=NNC(N)=O)CC;QTOPLJBEAWUDQI-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260159;MM260159;C=C(C=NNC(N)=O)CN;AIVZWIDOUWJHRQ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260160;MM260160;CCC(=O)C=NNC(=N)N;KFDNMMCJBPPWGT-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260161;MM260161;N=C(N)NN=CC(=O)CO;LVSIJRCKWSTLHC-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260162;MM260162;NC(=O)NN=CC(=O)CO;AXQJBABGFROFII-UHFFFAOYSA-N;145.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260163;MM260163;CN=C(N)C=NNC(C)=O;JZAQDFCZUJNIBI-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260164;MM260164;N=C(N)NN=CC(=N)NN;MMFPQYGSYAREGB-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260165;MM260165;CC(=O)NN=CC(=O)NN;JABXZNIMLBRMOS-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260166;MM260166;CC(=O)NN=CC(=O)NO;VGBWWVPICFISBH-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260167;MM260167;CNC(=O)C=NNC(N)=O;XBNUZUSAQBQKBO-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260168;MM260168;C=C(C=NNC(=N)N)OC;KNIHYSBEULDEQN-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260169;MM260169;COC(=O)C=NNC(=N)N;GFUAXBKCQQCCDW-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260170;MM260170;CCC(=O)C=COC(C)=O;NTWHMFLKJHZTKT-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260171;MM260171;C=C(C)OC=CC(=N)NC;ZDZLHCVNECTNQK-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260172;MM260172;C=C(C)OC=CC(=N)NN;JUYBTWPPKTXEAG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260173;MM260173;C=C(C)OC=CC(=N)NO;QEHWGJCBXFVUOP-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260174;MM260174;C=C(CO)CN=C(N)C=O;MJVVCVDZLWOKJU-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260175;MM260175;C=C(C)OC=CC(=O)NO;GWPLQCCRMKIJCD-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260176;MM260176;C=C(C=COC(C)=O)OC;LMRLCBQVKXSLMO-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260177;MM260177;COC(=O)C=COC(C)=O;MSQPGECJSAMXBT-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260178;MM260178;C=C(C=NOC(=N)N)CN;NFXMVMRQNPQOBD-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260179;MM260179;CC(C#N)=CNC(C)CO;POMSHVCMBIEHNT-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260180;MM260180;C=CC1(C)CN1C(C)CO;XKCUGQROEOYELZ-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260181;MM260181;NC(=O)ON=CC(=O)CO;JAWGDOHEXBTYOD-UHFFFAOYSA-N;146.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260182;MM260182;CNC(=N)C=NOC(N)=O;DDQHYSKVYUNRRL-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260183;MM260183;CNC(=O)C=NOC(C)=O;OSPJZIZCTHQGPT-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260184;MM260184;CC(=O)ON=CC(=O)NO;ZTOJELVZUYCVPZ-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260185;MM260185;C=C(C=NOC(C)=O)OC;AZZSYWIDZYQIRX-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260186;MM260186;C=C(C)N=CNC(=N)CN;TWJXUBMKJLKLLS-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260187;MM260187;C=C(C=O)C=CCC(=C)C;VTEQNKMVPJPTLZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260188;MM260188;C=CC(=C)C=CCC(C)=O;FVZCCCWMUZCFMF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260189;MM260189;C=CC(=C)C=CCC(=N)N;DLLQDTWFSFOXSB-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260190;MM260190;C=CC(=C)C=CCC(N)=O;FOPDIXOEELVKKQ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260191;MM260191;C=C(C=O)C=CCC(=C)F;QVZQBFFFPKCNFA-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260192;MM260192;C=CC(=O)C=CCC(=C)C;WFPWPMUAWGWMCV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260193;MM260193;C=C(C)CC=CC(=O)C=O;ONTVYLGMARFJSC-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260194;MM260194;CC(=O)CC=CC(=O)C#N;YUIUJSOUNCAZGW-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260195;MM260195;C=CC(=O)C=CCC(=N)N;ORWRGTZQZQNAOE-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260196;MM260196;N=C(N)CC=CC(=O)C=O;RJFPEOHLPQUQFJ-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260197;MM260197;C=C(C#N)C=CNC(C)=N;NEVIRROJJNJMGC-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260198;MM260198;C=C(C#N)C=CNC(C)=O;VIZVOIWQDQSSQK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260199;MM260199;C=CC(=C)C=CNC(=N)N;DSJTUNKAYJUNNA-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260200;MM260200;C=C(C#N)C=CNC(=N)N;PVDIMIDJKFLQQI-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260201;MM260201;C=CC(=C)C=CNC(N)=O;IGIOOKKTRIASNA-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260202;MM260202;CC(=N)NC=CC(=O)C=O;NKYDPNADHYUZCY-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260203;MM260203;N#CC(=O)C=CNC(=N)N;PBDCOUBFLBFCAG-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260204;MM260204;C=CC(=C)C=NNC(N)=O;IFJKYERFNRBHAL-UHFFFAOYSA-N;139.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260205;MM260205;N#CC(=O)C=NNC(=N)N;PBLNQZWRXYTETD-UHFFFAOYSA-N;139.12;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260206;MM260206;C=C(C#N)C=COC(C)=O;SNZDUYIBCAYJAS-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260207;MM260207;C=C(C)OC=CC(=O)C=O;AGJUBZFMIZRQFS-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260208;MM260208;CC(CO)N1CC1(C)C#N;PARNRJMQVHVNKD-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260209;MM260209;C=C(C=O)C=NOC(N)=O;BXLATKJZDNPDMT-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260210;MM260210;CC(=O)ON=CC(=O)C=O;GSTJOTYCHMNBSV-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260211;MM260211;C=CC(=O)C=NOC(N)=O;VBWAMBQWFVXSIO-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260212;MM260212;C#CC1(C)CN1C(C)CO;TYNXPYLTYFPFHT-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260213;MM260213;C#CC(=O)C=CCC(C)=O;PPIQIIVHTMZRDU-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260214;MM260214;C#CC(=C)C=CNC(N)=O;PUBSXGSBSSRVDU-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260215;MM260215;C#CC(=O)C=CNC(C)=N;PVBPTDJVWBMZKY-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260216;MM260216;C#CC(=O)C=CNC(=N)N;AWENRDQAIYNLLJ-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260217;MM260217;C#CC(=C)C=NNC(N)=O;PLTBHBHZGIASBW-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260218;MM260218;C#CC(=O)C=COC(C)=O;PNWISKIFGONWEF-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260219;MM260219;CC(C=CCC(C)N)=CF;JPDREOIPOLSIPT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260220;MM260220;CC1(C#N)CCC(CO)N1;QCCVYTLTRMANMS-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260221;MM260221;CC(C=CCC(C)F)=CF;GJKDESBVOMLELZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260222;MM260222;CC(C=CCC(F)F)=CF;ZTTJMANCBKAYSR-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260223;MM260223;CC(C=CCC(C)C)=NN;FHICDCKQWNNQLY-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260224;MM260224;NN(C=O)CCC1(O)CC1;WJKKVGPGKZERCT-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260225;MM260225;CC(=CC=NC(C)C)NO;IIWBGTGPONMCIN-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260226;MM260226;CC=C(C)C=NNC(C)C;BQVNZFFCCAOZLR-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260227;MM260227;CC(C=NNC(C)C)=CF;HHSIJNBSISOAPB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260228;MM260228;CC(C)NN=CC(F)=CF;KBOVUMBVOGPVJF-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260229;MM260229;CC=C(C)C=NOC(C)C;NRIAITIUZWUBEP-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260230;MM260230;C#CC(CO)CN(N)C=O;MUMXNVUGMZGDJV-UHFFFAOYSA-N;142.16;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260231;MM260231;CC=C(C)C=CCC(=N)N;JRJYRWRJKYBPOR-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260232;MM260232;CC=C(C)C=CCC(N)=O;LKOJTXDNHIVCIP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260233;MM260233;N=C(N)CC=CC(F)=CF;IFHBDFZGNFZPJV-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260234;MM260234;CC=C(F)C=CCC(N)=O;BJUKOZCTOBRSDM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260235;MM260235;CC(=O)CC=CC(C)=NO;YTEJKXNOIJQDHK-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260236;MM260236;CC=C(C)C=CNC(C)=N;MJMXUGZIIPXRFD-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260237;MM260237;CC=C(C)C=CNC(N)=O;RUAOQRYMBVCTQL-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260238;MM260238;C#CC(CO)CN(C)N=C;WBYVZJULUQWPNL-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260239;MM260239;CC(C=CNC(N)=O)=NO;VHHQEATVTRKICN-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260240;MM260240;CC=C(C)C=NNC(C)=O;SMTDTHXLDZXJAE-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260241;MM260241;CC=C(F)C=NNC(=N)N;HNBDWTKHNHBIIT-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260242;MM260242;CC=C(F)C=NNC(N)=O;YOZPJXPHIJIMJM-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260243;MM260243;NC(=O)NN=CC(F)=CF;GKPDZYORWOCWIJ-UHFFFAOYSA-N;149.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260244;MM260244;CC(C=NNC(=N)N)=NN;LODDIYHEQBPAGX-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260245;MM260245;CC(C=NNC(=N)N)=NO;XVIAETPBCZOTGZ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260246;MM260246;CC=C(CO)CN(N)C=O;OUPJHIMOHHMBTB-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260247;MM260247;CC(C=NNC(N)=O)=NO;FUHQUTBVSUCMLA-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260248;MM260248;C=C(C)OC=CC(F)=CC;KFNDCGKGSARNOW-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260249;MM260249;CC(=O)OC=CC(C)=NN;JDSTZKONZCDIFZ-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260250;MM260250;CC(=O)OC=CC(C)=NO;KFPBNFPZPUZNHN-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260251;MM260251;CC(C#N)N(C)C(C)CO;VYDSZRXTFKMTKQ-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260252;MM260252;CC(C=NOC(N)=O)=CF;GOAVJIMCJDRHIV-UHFFFAOYSA-N;146.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260253;MM260253;CC=C(F)C=NOC(N)=O;UDDTVWQADLKAGB-UHFFFAOYSA-N;146.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260254;MM260254;C=NN1CC1(C)C(=C)CO;GLSABESPDGATNN-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260255;MM260255;NC(=O)ON=CC(F)=CF;YTRBOBFERPWWPS-UHFFFAOYSA-N;150.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260256;MM260256;CNC(=O)N(C)NCCF;FJUQFZZFMQCXQH-UHFFFAOYSA-N;149.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260257;MM260257;CC(N)CC#CC(C)CO;DBQYSXLGGUFMMZ-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260258;MM260258;CC(N)CC#CC(C)CF;FBXUTPJZLSSJKX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260259;MM260259;CC(O)CC#CC(C)CO;DEKOXYXXMDJTQZ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260260;MM260260;CC(C#CCC(F)F)CO;ATUIMAXEWVCNIJ-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260261;MM260261;CC(C)CC#CC(N)CN;QSKZQUIXKAMDNY-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260262;MM260262;CC(C)CC#CC(N)CO;FGQHLPNQNWFAIK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260263;MM260263;CC(F)CC#CC(N)CN;WTRSEVSHOPXKMH-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260264;MM260264;NC(C#CCC(F)F)CO;MFCMBNAFPKMYQQ-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260265;MM260265;CC(C)CC#CC(O)CO;BWPZIXQIDHIAAS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260266;MM260266;CC(N)CC#CC(O)CF;OWWXDVWZGBEWIX-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260267;MM260267;CC(F)CC#CC(O)CO;ARAPYSLWQANXGT-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260268;MM260268;OCC(O)C#CCC(F)F;CRHYMTPOLIKWBY-UHFFFAOYSA-N;150.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260269;MM260269;CC(N)CC#CC(F)CO;RUTAEWUKLAPOHS-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260270;MM260270;CC(F)CC#CC(F)CO;RYNVQFDBZGJLLC-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260271;MM260271;OCC(F)C#CCC(F)F;YCFKEEZCTIQYGN-UHFFFAOYSA-N;152.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260272;MM260272;CNC(C)C#CCC(C)F;HNTJUOYCQGAPLZ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260273;MM260273;CC(C#N)C#CCC(C)O;SCWFZOMRXMRAOK-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260274;MM260274;C=CC(C)C#CCC(C)F;XWCTVJBWOXBOCB-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260275;MM260275;CC(O)CC#CC(O)C#N;WBQZVESZCKGKNQ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260276;MM260276;C#CC(O)C#CCC(C)C;QRMRJXIJTDXTSE-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260277;MM260277;CC(=O)CC#CC(C)CO;RJZQRLYQTZGORA-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260278;MM260278;CC(C#CCC(=N)N)CF;KGLAEPGNRCEFHF-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260279;MM260279;CC(C#CCC(N)=O)CF;LNOZIEPIDRLJCV-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260280;MM260280;CC(C#CCC(=O)O)CF;CVSJJSCQESEIBF-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260281;MM260281;C=C(F)CC#CC(N)CO;MPWVCYTYBZWBBL-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260282;MM260282;C=C(C)CC#CC(O)CC;YMRYAFZJVUEJKP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260283;MM260283;C=C(C)CC#CC(O)CO;CIKYOZMTIAUHRW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260284;MM260284;C=C(C)CC#CC(O)CF;RPAZXNGPKIFSKY-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260285;MM260285;CCC(O)C#CCC(C)=O;UZIJFBHRNTXXOM-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260286;MM260286;CC(=O)CC#CC(O)CO;KNSFVQZZSGNYFZ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260287;MM260287;CC(=O)CC#CC(F)CO;UFBQLUYBZLEIGL-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260288;MM260288;CC(=O)CC#CC(F)CF;TXFYTNFUVQNJQE-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260289;MM260289;N=C(N)CC#CC(F)CO;QKESNYCQJPESEX-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260290;MM260290;NC(=O)CC#CC(F)CO;QTHAXNZCJUOZJO-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260291;MM260291;Nn1[nH]c(=NO)oc1=O;CBZGMBCCJANRME-UHFFFAOYSA-N;132.08;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260292;MM260292;C=C(C)CC#CC(C)NC;ZEQBVVLJXGBRKH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260293;MM260293;COC(C)C#CCC(C)=O;PMQOLCPMXLNNMQ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260294;MM260294;COC(C)C#CCC(=N)N;WWLLUKJRODMYTR-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260295;MM260295;COC(C)C#CCC(N)=O;DZDZLYXOSOHAAA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260296;MM260296;C=CC(C)C#CCC(C)=O;MFASXWHOEPRWKN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260297;MM260297;CC(=O)CC#CC(C)C=O;BDSIGGMNCVASFF-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260298;MM260298;C=CC(C)C#CCC(=N)N;JRBAQBDRFUIOOE-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260299;MM260299;C=CC(C)C#CCC(N)=O;PTHHPRFYMOGGGS-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260300;MM260300;C=CC(C)C#CCC(=O)O;TYIQYOAPECBJDT-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260301;MM260301;C=Nn1cnc(=NO)[nH]1;WSXTZICGOBOCEE-UHFFFAOYSA-N;127.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260302;MM260302;CC(C#N)C#CCC(=O)O;YXNITLJCAHQESP-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260303;MM260303;C=CC(N)C#CCC(=N)N;LSIWBWHXLDIROA-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260304;MM260304;C=CC(O)C#CCC(=C)C;DNPFMDZILBSLFZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260305;MM260305;CC(=O)CC#CC(O)C=O;SDDZCRNUBMOQAR-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260306;MM260306;N#CC(O)C#CCC(=N)N;BESPZKCCDZRMJN-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260307;MM260307;N#CC(O)C#CCC(N)=O;FWFJIUBMPWJJGG-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260308;MM260308;C=NNC1CC1C(=O)O;HNHUAFMMYUEBAD-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260309;MM260309;C=Nn1nnc(O)c1N;RHKJLQYFORZTBC-UHFFFAOYSA-N;127.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260310;MM260310;C#CCC(CC(=O)O)OC;AVNVREQQZDBKRR-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260311;MM260311;C=CC(O)C#CCC(=C)F;TZRNLTJKZMLKAE-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260312;MM260312;CC(=O)CC#CC(F)C#N;WZMLAHKTJWRZJM-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260313;MM260313;NC(=O)CC#CC(F)C=O;KNFOKMWRLOIRFY-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260314;MM260314;N#CC(F)C#CCC(N)=O;VBYUIMQTZIZOOS-UHFFFAOYSA-N;140.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260315;MM260315;C#CC(C)C#CCC(C)=O;HRUZYCGCSOVQNF-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260316;MM260316;C#CC(C)C#CCC(=O)O;OUAHTTFPMVXIFE-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260317;MM260317;C#CC(N)C#CCC(=N)N;JNWSFRDJQNRLFR-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260318;MM260318;C#CC(O)C#CCC(=C)C;IFJDPBJVMMJUAQ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260319;MM260319;C#CC(O)C#CCC(=N)N;BOSGMCBNZKNBFP-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260320;MM260320;C#CC(O)C#CCC(N)=O;QNTPMPQEJUEMMB-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260321;MM260321;CCC(CC)C(O)C(=O)O;MBJNVIFBWMTUSE-UHFFFAOYSA-N;146.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260322;MM260322;C#CC(F)C#CCC(=N)N;HZUGLWLHXVRPLY-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260323;MM260323;C#CC(F)C#CCC(N)=O;IOKLURHXLLQWMB-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260324;MM260324;C=C(C#CCC(C)C)CO;HHQVFJVMYCRWIW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260325;MM260325;C=C(C#CCC(C)N)CN;BFJRUBJPDGWRDQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260326;MM260326;C=C(C#CCC(C)F)CO;CYDFTOUYCBAHKT-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260327;MM260327;C=C(C#CCC(F)F)CC;LJEUGBLVJQSUHK-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260328;MM260328;C=C(C#CCC(F)F)CO;NUKCKZOXGLGQJC-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260329;MM260329;CC(C)CC#CC(=O)CO;NQCHLKSRIMWCES-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260330;MM260330;CC(F)CC#CC(=O)CO;BFTXIPKGZOBTMJ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260331;MM260331;CC(C)CC#CC(=N)NN;YCWVIEPCSMRJJN-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260332;MM260332;CC(N)CC#CC(=N)NO;JQPWUKXGURIZKM-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260333;MM260333;CC(O)CC#CC(=N)NN;MDFDLAVITZQBBE-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260334;MM260334;CNC(=N)C#CCC(C)F;MYDUWHWZECEAMY-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260335;MM260335;CNC(=N)C#CCC(F)F;MSAIPBRDEIKPNY-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260336;MM260336;N=C(C#CCC(F)F)NN;SMHWCKOMQCVTFG-UHFFFAOYSA-N;147.13;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260337;MM260337;C=NNC=NCC(=C)CO;RDOVJKBLNOULKK-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260338;MM260338;CNC(=O)C#CCC(C)N;QBPYPZCPHUZUPQ-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260339;MM260339;CNC(=O)C#CCC(C)O;WLOJLOKHQXGONX-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260340;MM260340;CC(F)CC#CC(=O)NN;YOVWDPHWEQIWPB-UHFFFAOYSA-N;144.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260341;MM260341;CC(F)CC#CC(=O)NO;MNCNTDHGITXSMV-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260342;MM260342;CNC(=O)C#CCC(F)F;KWELABJFRJHHOD-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260343;MM260343;CN(C)CC#CC(=N)NN;WJEAEJLZCFPNRB-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260344;MM260344;C=CC(=C)C#CCC(C)C;ILXXZGRUUWMZJO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260345;MM260345;C=C(C#N)C#CCC(C)F;QWHSGFQAGIYWOH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260346;MM260346;C=C(C#CCC(F)F)C=O;XNBUHNREAXEPLH-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260347;MM260347;CC(C)CC#CC(=O)C#N;GBNVFCSEGGLPND-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260348;MM260348;C=CC(=O)C#CCC(C)F;INFCHPSSOXSAED-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260349;MM260349;CC(F)CC#CC(=O)C=O;QEJPXFAOMXDLMI-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260350;MM260350;CC(F)CC#CC(=O)C#N;ARJKFPQACIKWSK-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260351;MM260351;O=CC(=O)C#CCC(F)F;VQRQJPGBWROVAE-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260352;MM260352;C#CC(=C)C#CCC(C)C;LYGYHEXJPNZTAB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260353;MM260353;C#CC(=O)C#CCC(C)C;DYOFRXDGFUEHQD-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260354;MM260354;C=C(C)CC#CC(=C)CC;GCQISDXQOVFAAC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260355;MM260355;C=C(C#CCC(C)=O)CC;OAISJVNCWGAVLD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260356;MM260356;C=C(C#CCC(N)=O)CO;CLTDAZBIKJCERY-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260357;MM260357;C=C(C#CCC(N)=O)CF;QQUXVOZCOJRNPG-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260358;MM260358;C=C(C#CCC(=O)O)CC;ZSYIFAQEJBKVNH-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260359;MM260359;C=C(F)CC#CC(=C)CO;QTYAHKJNBKDNAK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260360;MM260360;C=C(C)CC#CC(=O)CO;PHQYOLJDNSOWRA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260361;MM260361;CCC(=O)C#CCC(=N)N;RZXFOEXHTOTXTA-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260362;MM260362;N=C(N)CC#CC(=O)CF;LWNRHJBJBVGNCN-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260363;MM260363;CC1(C)C(O)C1C(=O)O;QPTSZOBNEIFJEM-UHFFFAOYSA-N;130.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260364;MM260364;C=C(C)CC#CC(=N)NN;VIJRDZOFAAEUNN-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260365;MM260365;CNC(=N)C#CCC(=N)N;YUMVSJKUEOQZFF-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260366;MM260366;N=C(N)CC#CC(=N)NN;WPEIMNHIOLNCDP-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260367;MM260367;N=C(N)CC#CC(=N)NO;BBMTWPFFIOZSNV-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260368;MM260368;CN=C(N)C#CCC(N)=O;QEFUCFLJTZCDBJ-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260369;MM260369;COC(CO)C(C)C(=O)O;SSXVFVGSKBSWLC-UHFFFAOYSA-N;148.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260370;MM260370;C=C(C)CC#CC(=O)NO;XCNLNDOOAAMWEM-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260371;MM260371;CNC(=O)C#CCC(=N)N;RZHFHRRXGYPJSJ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260372;MM260372;N=C(N)CC#CC(=O)NN;HWODIPMGVZXEFD-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260373;MM260373;N=C(N)CC#CC(=O)NO;GKTZYBHHLGQFHB-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260374;MM260374;CNC(=O)C#CCC(N)=O;VJRCEHQCARETKD-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260375;MM260375;NNC(=O)C#CCC(N)=O;DHONBTHYJBGKFY-UHFFFAOYSA-N;141.13;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260376;MM260376;NC(=O)CC#CC(=O)NO;IXJIJEMNJSEJIC-UHFFFAOYSA-N;142.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260377;MM260377;On1nnc(F)c1F;PJJLRDSAPREPDL-UHFFFAOYSA-N;121.05;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260378;MM260378;N#Cc1nnn(O)c1F;JMHMCGVEHWPRIW-UHFFFAOYSA-N;128.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260379;MM260379;C=C(C#CCC(C)=O)OC;RGVNFDJVIFTJMF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260380;MM260380;C=C(C#CCC(=N)N)OC;PUWSLLBTMINVJV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260381;MM260381;COC(=O)C#CCC(=N)N;AAIUUFOTALEEMY-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260382;MM260382;COC(=O)C#CCC(N)=O;XKUMCDIWXNCGRG-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260383;MM260383;C=C(C#CCC(=C)C)C=O;XQEQBWRUBJJPEZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260384;MM260384;C=C(C#N)C#CCC(=C)C;AGGRKHXQMCRXNR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260385;MM260385;C=CC(=C)C#CCC(C)=O;RMKIFFMOFGHFNV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260386;MM260386;C=C(C#CCC(C)=O)C=O;VTNMPWMAYOEGKX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260387;MM260387;C=C(C#N)C#CCC(C)=O;PDTDMUCJHJMAIG-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260388;MM260388;C=CC(=O)C#CCC(=C)C;BYBTVBOMSBZFAM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260389;MM260389;C=CC(=O)C#CCC(C)=O;DNQBPPQZWYVMAI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260390;MM260390;CC(=O)CC#CC(=O)C=O;CTDGAJMAUFOFTE-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260391;MM260391;N=C(N)CC#CC(=O)C=O;HHUZCNQUHRVMKQ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260392;MM260392;N#CC(=O)C#CCC(=N)N;PHUFWBKBVMHXTF-UHFFFAOYSA-N;135.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260393;MM260393;C=C(F)CC#CC(=O)C=O;OEJJKRQATGKBAZ-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260394;MM260394;C#CC(=C)C#CCC(=C)C;VTIIDEAZGWFDCY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260395;MM260395;C#CC(=C)C#CCC(=N)N;UZEXIATXOFLNOK-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260396;MM260396;C#CC(=C)C#CCC(N)=O;YYDAGYFJZXDZKC-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260397;MM260397;C#CC(=C)C#CCC(=O)O;OCZGBQAYMCYNAP-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260398;MM260398;C#CC(=O)C#CCC(=C)C;PBEGQBBDEGSLIR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260399;MM260399;C#CC(=O)C#CCC(=N)N;PZQVYTCLWDDLCQ-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260400;MM260400;C#CC(=O)C#CCC(N)=O;PUPATDYPBSYTHL-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260401;MM260401;C#CC(=O)C#CCC(=C)F;PSOQRWGRUSPDDR-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260402;MM260402;CC(C#CCC(C)O)=CF;QXJOUMVKHBDPBM-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260403;MM260403;C=C(C)CC#CC(C)=CF;NJBCDOYAPQOYPA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260404;MM260404;CC=C(C)C#CCC(=N)N;OKZSPUMWGXCKKR-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260405;MM260405;CC=C(C)C#CCC(=O)O;FAXBUYYQYACMPD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260406;MM260406;C=C(C)CC#CC(C)=NO;BUDXOSFENDIKGY-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260407;MM260407;CC(C#CCC(=N)N)=NO;NWJFFLQBBOIRLY-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260408;MM260408;CC(CN)CCC=C(F)F;KOVNFOJLCQPIIL-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260409;MM260409;CC(C)=CCCC(N)CF;VIKRNBNNLXCVHE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260410;MM260410;CCC(N)CCC=C(F)F;LFXOETNKYCMWMR-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260411;MM260411;NCC(N)CCC=C(F)F;WWGROBCJKLOCCL-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260412;MM260412;NC(CF)CCC=C(F)F;LAKIVASOPIDJNG-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260413;MM260413;CC(F)=CCCC(O)CO;XBCATKVOQOLBGA-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260414;MM260414;OCC(O)CCC=C(F)F;AFNQEKQTVPZMMP-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260415;MM260415;CC(C)=CCCC(F)CN;HNRMIHCLVDVYCR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260416;MM260416;NCC(F)CCC=C(F)F;QAWIDYKFWWWJGQ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260417;MM260417;CNC(C)CCC=C(C)C;XVQUOJBERHHONY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260418;MM260418;CNC(C)CCC=C(C)F;VXVUOFAYHFJRIF-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260419;MM260419;CNC(C)CCC=C(F)F;MRSMEILCOHPHRH-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260420;MM260420;CC(C)=COCC(C)CN;PRJVICYVDSKRKM-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260421;MM260421;CC(C)=COCC(C)CO;NAFMNROCKVVGGO-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260422;MM260422;CCC(N)COC=C(C)F;JHJLQGBOCUDEBJ-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260423;MM260423;CC(F)=COCC(N)CF;MNRKYPSXQTVIFW-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260424;MM260424;NC(CO)COC=C(F)F;UXEDFJYRRINTCT-UHFFFAOYSA-N;153.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260425;MM260425;CCC(O)COC=C(C)C;QKYZDJULMZQLHE-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260426;MM260426;CC(C)=COCC(O)CN;LTCQYKDZDMTOTC-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260427;MM260427;CC(F)=COCC(O)CN;XCRXKTPAEAZCIL-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260428;MM260428;CC(F)=COCC(O)CO;QWKIUORXUROORS-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260429;MM260429;CC(F)=COCC(F)CO;YXZNCJPWOHEXSZ-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260430;MM260430;OCC(F)COC=C(F)F;STRCMTMBHVWSEM-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260431;MM260431;CNC(C)COC=C(C)F;LEWTUSQHQDEHTA-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260432;MM260432;COC(C)COC=C(C)C;WDBHCLKLAXYTLT-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260433;MM260433;COC(C)COC=C(C)F;DJMYGRLAWVDRDV-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260434;MM260434;COC(C)COC=C(F)F;UPSVZVTUHQLABM-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260435;MM260435;CC(C)=NNCC(C)CF;ZUTPRASOQMNEAD-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260436;MM260436;CC(C)=NNCC(N)CN;RNFOIVGWFUBRNK-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260437;MM260437;CC(C)=NNCC(N)CO;QIFQXMSAGSFVPN-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260438;MM260438;CC(CCOCCO)=NN;CTKWBSJQOGEDDZ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260439;MM260439;CC(=NN)OCOCCO;NWZNONCDSAUWQZ-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260440;MM260440;CCC(F)CNN=C(C)C;FLVCSUUDBMFJEI-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260441;MM260441;CC=NN=CNC(C)CO;GZZPEEOAVQKDMU-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260442;MM260442;CNC(C)CNN=C(C)C;NBWSWJDCEVZLDK-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260443;MM260443;CCC(N)CON=C(C)C;IQXFSICUCHSAOI-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260444;MM260444;N#CCNCCC1(O)CC1;LYVPGLRDENIZGJ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260445;MM260445;CCC(F)CON=C(C)C;BIUGHCCTSHRDNO-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260446;MM260446;CC(C)=NOCC(F)CF;PHCSJXLISUUFOO-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260447;MM260447;COC(C)CON=C(C)C;FAKTXDIPIUVZDD-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260448;MM260448;CCC(C)NCC=C(C)C;NFTIRUJWLXTHMB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260449;MM260449;CC(F)=CCNC(C)CO;PYZQUCACQKTZIA-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260450;MM260450;CC(CN)NCC=C(F)F;MVYAEMXHKUYLKG-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260451;MM260451;COC(C)OCC=C(C)C;AGAKWCBKRYPYSQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260452;MM260452;COC(C)OCC=C(C)F;JYYSARVLBUCQHY-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260453;MM260453;COC(C)OCC=C(F)F;KRMARMFKPDUBMN-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260454;MM260454;CCN(C)CCC=C(C)C;CKXJCHGMYUCAST-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260455;MM260455;CC(C=O)CCC=C(F)F;QZRFNKUOFCGWLM-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260456;MM260456;C=CC(N)CCC=C(F)F;FRUUBHVEULOTPT-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260457;MM260457;C=NOC(CF)OCCO;FPZZKSOYINTIIS-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260458;MM260458;CC(F)=CCCC(O)C=O;GIOBBSXEOCJCEK-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260459;MM260459;CCC(C=NN)OCCO;XBILNISJFNFVJE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260460;MM260460;CC(C)=CCCC(F)C#N;VYAFAHVEDPHJKR-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260461;MM260461;CC(F)=CCCC(F)C#N;DWMLGOPTZRRRMI-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260462;MM260462;CC(C)=COCC(C)C#N;ZRQWHBGBZQBMJF-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260463;MM260463;CC(F)=COCC(C)C#N;SOGODMYWDKPDGT-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260464;MM260464;CC(C#N)COC=C(F)F;VLKZSEYNCBEOIX-UHFFFAOYSA-N;147.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260465;MM260465;C=CC(N)COC=C(C)C;LWLWJGFMSKROGB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260466;MM260466;C=CC(N)COC=C(C)F;NWDNPDOBHNXTMQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260467;MM260467;C=CC(N)COC=C(F)F;WQKILMQPZJHUQQ-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260468;MM260468;CC(C)=COCC(O)C=O;BMMTZNSBSFHCEJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260469;MM260469;CC(C)=COCC(O)C#N;MLVJJERBGXKYAJ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260470;MM260470;C=CC(O)COC=C(C)F;MIMDZOSVGCQUFD-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260471;MM260471;O=CC(O)COC=C(F)F;IJQIYAKENQVUJG-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260472;MM260472;C=CC(F)COC=C(C)C;QEANCBAHMNGBPC-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260473;MM260473;CC(C)=COCC(F)C=O;WACSPFSEFLQNEL-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260474;MM260474;C=CC(F)COC=C(C)F;HKYHPANKADSPHJ-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260475;MM260475;CC(F)=COCC(F)C=O;YVBUNFNRWAWZCZ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260476;MM260476;CC(F)=COCC(F)C#N;QQRGIKAOFJVZRI-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260477;MM260477;C=CC(F)COC=C(F)F;BGZCESIOMICOEP-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260478;MM260478;O=CC(F)COC=C(F)F;VPTBKDVCIAHSQO-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260479;MM260479;N#CC(F)COC=C(F)F;DWOJEJFVJDLUPQ-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260480;MM260480;C=CC(C)CNN=C(C)C;ABOUHFKTJNXYFX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260481;MM260481;C#CC(C=NN)OCCO;BPVSNCFCMXLJHU-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260482;MM260482;C=NNCC(=CCC)CO;TWIGPSICKWGUFI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260483;MM260483;N#CC(=CCO)N=CNO;KQDOFAAKBDDNPK-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260484;MM260484;CC(C)=NOCC(C)C#N;SKQRCRYAKSDNLE-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260485;MM260485;C=CCC(=CC=NN)CO;NFRHIBGQWIESJZ-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260486;MM260486;CC(C)=NOCC(O)C#N;UYKJJTOMNOEJKQ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260487;MM260487;C=CC(F)CON=C(C)C;GZZVAXZPWLGXHY-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260488;MM260488;CC(=NN)C(=CF)C(N)=O;OZCMVKBMRIYADU-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260489;MM260489;CC(C)=NOCC(F)C#N;UYORBNXWHNYFFH-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260490;MM260490;C=CC(C)NCC=C(C)C;BBECEQWPWMBJGT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260491;MM260491;C=CC(C)NCC=C(C)F;YBTSMAWXAAAWAT-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260492;MM260492;CC(F)=CCNC(C)C#N;RARXSZQENLOPLB-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260493;MM260493;CC(C)=CCOC(C)C=O;FBRVNSRWYXRXGG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260494;MM260494;CC(C)=CCOC(C)C#N;DEHSVILIMPKCNV-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260495;MM260495;CC(F)=CCOC(C)C=O;DACKQFWGXRJUSN-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260496;MM260496;CC(C#N)OCC=C(F)F;OOTVKAOOBUFNIW-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260497;MM260497;CC(C)=CCCN(C)C=N;LVSKFBPBJBGDCK-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260498;MM260498;CC(C)=CCCN(C)C=O;KSAXOLNQPQKYJT-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260499;MM260499;CC(F)=CCCN(C)C=N;QTOCFAHFFBNSMC-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260500;MM260500;CC(C)=CCCN(N)C=O;WWMNZQNXKFWCAN-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260501;MM260501;CC(F)=CCCN(N)C=N;ZBHYAHHZMQCBMK-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260502;MM260502;CC(C)=CCCN(O)C=O;DPXNYEOGFPJYHA-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260503;MM260503;C=NN(C)CCC=C(C)C;RUQKXSKMVKNBBO-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260504;MM260504;C=NN(C)CCC=C(C)F;WFMXZPCYXHKKSC-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260505;MM260505;CC(F)=CCNN(C)C=N;CSMACPBRFVVQDU-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260506;MM260506;CC(C)=CCON(C)C=N;RVHASVYRBJYPOY-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260507;MM260507;CC(C)=CCON(C)C=O;MSYRGVOAIPZPPD-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260508;MM260508;CC(F)=CCON(C)C=N;FOPFWOYXHWUCPO-UHFFFAOYSA-N;146.17;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260509;MM260509;C#CC(N)CCC=C(F)F;DKQUTLMCHRTQHQ-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260510;MM260510;C#CC(O)CCC=C(F)F;OCIDUEPPFHLDHC-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260511;MM260511;C#CC(F)CCC=C(F)F;OPXPWQDCQUEERV-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260512;MM260512;C#CC(C)COC=C(C)F;SSRQXEDDDNWEHQ-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260513;MM260513;C#CC(N)COC=C(C)F;IIXUNMWVMUBDLY-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260514;MM260514;C#CC(N)COC=C(F)F;ISJMFOAVRGWKKD-UHFFFAOYSA-N;147.12;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260515;MM260515;C#CC(O)COC=C(C)F;GNRUMQGUHIFWBM-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260516;MM260516;C#CC(O)COC=C(F)F;JOURDVQOZAJNEO-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260517;MM260517;C#CC(F)COC=C(C)C;MFZYWGXTKQHVHT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260518;MM260518;C#CC(F)COC=C(C)F;OCLWFJQMHUOXID-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260519;MM260519;C#CC(F)COC=C(F)F;FALDERPVSIWBMW-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260520;MM260520;C#CCNC(=NN)C(N)=O;IQTAXVIPCDHLKP-UHFFFAOYSA-N;140.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260521;MM260521;C#CC(C)CON=C(C)C;FBCPVKUAZYFYSD-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260522;MM260522;CNC(C#N)COCCO;KJEJITDRLUFIPE-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260523;MM260523;C#CC(C)NCC=C(C)C;QNOHTXVWCIMEDP-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260524;MM260524;C#CC(C)OCC=C(C)F;BELOBKRAHXHNGE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260525;MM260525;C=C(CN)CCC=C(C)C;LHMQRFMWFKVGON-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260526;MM260526;C=C(CN)CCC=C(C)F;AAXHGVANGKLDOK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260527;MM260527;C=C(CO)CCC=C(C)F;JIXZEUDYMCKTHF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260528;MM260528;C=C(CN)CCC=C(F)F;RVZWWQBJWODZJY-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260529;MM260529;O=C(CF)CCC=C(F)F;LDQVXLMRVPKVNO-UHFFFAOYSA-N;152.12;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260530;MM260530;CNC(=N)CCC=C(C)C;HLFQIWHCKQMFEA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260531;MM260531;CC(C)=CCCC(=N)NN;FUZVXNVCMRAWQI-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260532;MM260532;CC(C)=CCCC(=N)NO;KKUAUUREVMAFNF-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260533;MM260533;CC(F)=CCCC(=N)NO;GRQIKLOFLSCJNK-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260534;MM260534;C#CC(CO)CNCC#N;YGAXTSRDWYUXFC-UHFFFAOYSA-N;138.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260535;MM260535;CCC(COCCO)=NN;ZSYDZHVHLRYFGD-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260536;MM260536;CC(C)=CCCC(=O)NO;JOJNWMIEXAYIFR-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260537;MM260537;CC(F)=CCCC(=O)NO;ZMGXZVNZBHOWHK-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260538;MM260538;C=C(CCC=C(C)F)OC;VGDVWPSGPGORIU-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260539;MM260539;COC(=O)CCC=C(C)C;NRJSHTINJMCKTR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260540;MM260540;COC(=O)CCC=C(F)F;INKCFRCILCILKM-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260541;MM260541;C=C(CN)COC=C(C)C;ZRJXBKSKAUTCIQ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260542;MM260542;C=C(CO)COC=C(C)C;GYDHBFJRMYSGGQ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260543;MM260543;C=C(CF)COC=C(C)C;OMJKTXMAEPSMRL-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260544;MM260544;C=C(CN)COC=C(C)F;GAQHPOSIHFUAFR-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260545;MM260545;C=C(CO)COC=C(C)F;LIJUCEUAUREDHO-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260546;MM260546;C=C(CF)COC=C(C)F;SFBMVJHREUOPIX-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260547;MM260547;C=C(CN)COC=C(F)F;GZPLRWHSBDDGGJ-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260548;MM260548;C=C(CF)COC=C(F)F;ODWWSCJBMXFHMB-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260549;MM260549;CC(C)=COCC(=O)CO;XBPAOIGDEASMKU-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260550;MM260550;CC(C)=COCC(=O)CF;ZBKCWZTYWUCWST-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260551;MM260551;CCC(=O)COC=C(C)F;KVRNJFAOQBGQAF-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260552;MM260552;CC(F)=COCC(=O)CF;FUEQHODSNNDJAI-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260553;MM260553;O=C(CF)COC=C(F)F;XWKQGNFJPAMYKY-UHFFFAOYSA-N;154.09;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260554;MM260554;CNC(=N)COC=C(C)F;OZLJXCFUNOMXCD-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260555;MM260555;N=C(COC=C(F)F)NN;PGRJHGIEAPOOFP-UHFFFAOYSA-N;151.12;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260556;MM260556;N=C(COC=C(F)F)NO;IPKAWJDUUJNDSC-UHFFFAOYSA-N;152.1;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260557;MM260557;O=C(COC=C(F)F)NO;IVGMASCVFVJROX-UHFFFAOYSA-N;153.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260558;MM260558;C=C(COC=C(C)C)OC;KJUXTIWISQZZRC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260559;MM260559;C=C(COC=C(F)F)OC;WBBNICOKKIRJHF-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260560;MM260560;COC(=O)COC=C(C)C;OWUDJHZHMJQRIJ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260561;MM260561;COC(=O)COC=C(C)F;DPBAPXPYJRVGJO-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260562;MM260562;COC(=O)COC=C(F)F;DRKYXABQJLUTEF-UHFFFAOYSA-N;152.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260563;MM260563;CNC(=N)CNN=C(C)C;RRAKWAYBCXIMDE-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260564;MM260564;CC(C)=NNCC(=N)NN;XWRMMXVNPBFLKP-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260565;MM260565;NN=C(CF)COCCO;KUCOEIITICWVSW-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260566;MM260566;C=C(CC)CON=C(C)C;MAAVYOHTJCURHW-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260567;MM260567;COC(COCCO)=NN;IBHCWBRPEYAFHB-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260568;MM260568;C=C(CF)CON=C(C)C;IFOSJCBRVLOVLI-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260569;MM260569;N#CC(=CN)COCCO;CXCALCOOJMABLP-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260570;MM260570;CC=NNCC(=CC)CO;RPEIHIQIXXPSIZ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260571;MM260571;OCCOCC1(CF)CN1;QZDMAORONDJCCM-UHFFFAOYSA-N;149.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260572;MM260572;N#CC1(COCCO)CN1;NVDIDRXJPZYUQU-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260573;MM260573;C#CC1(COCCO)CN1;BBAKZQLFGBCZCY-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260574;MM260574;CC(C)=NOCC(=O)NO;AMVMRBKODKWSGO-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260575;MM260575;C=C(CON=C(C)C)OC;CANLBZKXNCBNSS-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260576;MM260576;COC(=O)CON=C(C)C;ZUDHMEYXLMEMMP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260577;MM260577;CC(C)=CCNC(=N)CO;FJXHTOVUCZPZEO-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260578;MM260578;CC(F)=CCNC(=N)CN;DJOWCXGNVVKMFL-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260579;MM260579;CC(F)=CCNC(=N)CO;CICGYBJVJIWSEO-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260580;MM260580;N=C(CO)NCC=C(F)F;FKQDYTZJOXHNPO-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260581;MM260581;CNC(=N)NCC=C(C)C;JUDQCYGVCDBSOE-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260582;MM260582;CC(C)=CCNC(=N)NN;YOWXLXJNXHLTCZ-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260583;MM260583;CC(C)=CCNC(=N)NO;BQGDYTPHLNZATR-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260584;MM260584;N=C(NN)NCC=C(F)F;YECZBUQGOBUEGO-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260585;MM260585;N=C(NO)NCC=C(F)F;CBMRKYUVQJVYED-UHFFFAOYSA-N;151.12;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260586;MM260586;CNC(=O)NCC=C(C)C;QYOFQBLNQNRNMI-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260587;MM260587;C#CC(CO)CN1CC1C;IQLKPZWQVZIGQT-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260588;MM260588;NN1CC(CO)=CCC1=O;WKSCCSUNMOCWQF-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260589;MM260589;CC(F)=CCNC(=O)NO;QNBVETNTWZMIPR-UHFFFAOYSA-N;148.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260590;MM260590;CNC(=O)NCC=C(F)F;LLXNNLQURAGVTC-UHFFFAOYSA-N;150.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260591;MM260591;C=C(CO)OCC=C(C)C;QQKOUBQIMIQDKM-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260592;MM260592;C=C(CO)OCC=C(C)F;BBOKNQUQACVFHN-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260593;MM260593;C=C(CN)OCC=C(F)F;FQCRCFMVKPOZOZ-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260594;MM260594;CCC(=O)OCC=C(C)C;VFPUFUGUGFKTJE-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260595;MM260595;CCC(=O)OCC=C(F)F;RRMSFXLTGJSBEY-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260596;MM260596;N#CCN1CC=C(CO)C1;AVZKHQSSWWLENT-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260597;MM260597;CC(C)=CCOC(=O)NO;XTKARSPSPYPWSO-UHFFFAOYSA-N;145.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260598;MM260598;CNC(=O)OCC=C(C)F;NGABLYRBIFZMML-UHFFFAOYSA-N;147.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260599;MM260599;COC(=O)OCC=C(C)C;RMDAKUWBEVVNMB-UHFFFAOYSA-N;144.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260600;MM260600;COC(=O)OCC=C(C)F;CZJXZEYDHLALST-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260601;MM260601;C=C(C=O)CCC=C(C)F;IUMCAJKMKLIYPY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260602;MM260602;C=CC(=O)CCC=C(C)F;MUFDLWBRHLOWLH-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260603;MM260603;CC(F)=CCCC(=O)C=O;KEADQMGXAPHBQR-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260604;MM260604;CC(F)=CCCC(=O)C#N;VAPXTGHTHJPRFE-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260605;MM260605;C=C(C=O)COC=C(C)F;UMZMLSDZCNLYTL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260606;MM260606;C=C(C#N)COC=C(C)F;YKAWLCIGUYCTIE-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260607;MM260607;C=CC(=O)COC=C(C)F;WEZMOVKNBLZJOL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260608;MM260608;CC(F)=COCC(=O)C=O;OMORABYDIHGFRT-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260609;MM260609;CC(F)=COCC(=O)C#N;JENNRKAUUSHOES-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260610;MM260610;N#CC(=O)COC=C(F)F;PPDVBBUKRKNDRU-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260611;MM260611;C=CC(=C)CNN=C(C)C;AJDJEFILSYOBEW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260612;MM260612;C=CC(=C)CON=C(C)C;QUYLNBZXYNGPBN-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260613;MM260613;C=C(C=O)CON=C(C)C;CIQXKGRSGNJLDN-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260614;MM260614;C=C(C#N)CON=C(C)C;RCLZPOQBAJESGA-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260615;MM260615;CCNc1cc(N=N)c[nH]1;HLCJBOPVGONORZ-UHFFFAOYSA-N;138.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260616;MM260616;CC1CC(=NN)C=C1CO;SCRVCBUCMQZVMN-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260617;MM260617;C=CC(=N)NCC=C(C)C;XLADOWKYOKPJRB-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260618;MM260618;C=CC(=N)NCC=C(C)F;MYEVRHMRTQNUCJ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260619;MM260619;CC(F)=CCNC(=N)C#N;RPPSZJNXQIWREA-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260620;MM260620;CC(F)=CCNC(=O)C#N;UCVZXGXKSWXJBE-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260621;MM260621;O=CC(=O)NCC=C(F)F;KZYCZTKZURPVCX-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260622;MM260622;C=C(C#N)OCC=C(C)C;CQKJKSIVSONJRJ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260623;MM260623;C=C(C=O)OCC=C(F)F;UMDMFXFEAGJBOH-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260624;MM260624;C=CC(=O)OCC=C(C)C;OXUKGAGPJSQCDS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260625;MM260625;CC(F)=CCOC(=O)C=O;OQVSTWGDGZIBJE-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260626;MM260626;CC(F)=CCOC(=O)C#N;VSPZSSJUAIRKIE-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260627;MM260627;C#CC(=O)CCC=C(F)F;XJQDKAUEGHYVHY-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260628;MM260628;C#CC(=C)COC=C(C)C;FGLKMIGMFAMPBC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260629;MM260629;C#CC(=C)COC=C(C)F;XVUNMMKQAPPWJU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260630;MM260630;C#CC(=O)COC=C(C)C;NWVYOSAKUOHYEV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260631;MM260631;C#CC(=O)COC=C(C)F;FCDXCTCMGDFDDP-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260632;MM260632;C#CC(=O)COC=C(F)F;APTCXKJZMGEBEO-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260633;MM260633;C#CC(=C)CON=C(C)C;RSPXQZLQXVCLCQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260634;MM260634;C#CC(=O)NCC=C(C)F;AUDHCUMSWDWIQH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260635;MM260635;C#CC(=C)OCC=C(C)C;BLJZPJNVEJLKSJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260636;MM260636;C#CC(=C)OCC=C(C)F;VZIDJLLDYSPSDN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260637;MM260637;C#CC(=O)OCC=C(C)C;CMWWOLASCZJNCX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260638;MM260638;C#CC(=O)OCC=C(C)F;DXVFUCAXAUMLLD-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260639;MM260639;CC(C)=CCCC(C)=NN;IOPTULRFALXIMW-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260640;MM260640;N#CC12CC1CC(CO)N2;SJKHPYYTUHPOGQ-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260641;MM260641;CC(F)=CCCC(C)=NN;LFBJYJDBYAKNHR-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260642;MM260642;CC(F)=CCCC(C)=NO;RPHFAERRPVNUMI-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260643;MM260643;CC(F)=COCC(F)=CF;LRHUESYEVGAPKZ-UHFFFAOYSA-N;152.12;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260644;MM260644;CC(C)=COCC(C)=NN;KAXKIFKGJTZIGI-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260645;MM260645;CC(C)=COCC(C)=NO;TZEJLOVUJXZNDQ-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260646;MM260646;CC(F)=COCC(C)=NN;VPBKBSPILJVPNH-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260647;MM260647;CC(COC=C(F)F)=NN;ACOLDVXYWMRXND-UHFFFAOYSA-N;150.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260648;MM260648;CC=C(C)CNN=C(C)C;UOYAVARFEGJKAV-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260649;MM260649;CC(=CF)CNN=C(C)C;KTCLHZWDSRMDJK-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260650;MM260650;CC=C(F)CNN=C(C)C;XNZUPSLDZBJPSA-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260651;MM260651;CC(=CF)CON=C(C)C;KCESHVILIFJRQF-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260652;MM260652;CC(C)=NOCC(F)=CF;HTSCJVGHDBHDDI-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260653;MM260653;CC(C)=NOCC(C)=NN;SEZMTJZZBHQASH-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260654;MM260654;CC(F)=CCN=C(C)NO;DARDDEHPRXBBBI-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260655;MM260655;CC(=NN)NCC=C(F)F;AARFEDKKLIKWCX-UHFFFAOYSA-N;149.14;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260656;MM260656;CC=C(CO)C1CN1CC;QCPMUVQRILOROY-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260657;MM260657;CC(C)=CCOC(C)=NO;CTNMIDLHWREQEB-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260658;MM260658;CC=CC1CN1C(C)CO;SFGIQTAHBNJWBL-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260659;MM260659;CC(F)=CCOC(C)=NO;YPVWVRJRQITVHU-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260660;MM260660;CC(=NO)OCC=C(F)F;HBTFTRGCIRBSOX-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260661;MM260661;CCC(C)C=CC=C(C)C;YDPXEIXLONTGCJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260662;MM260662;CC(C)=CC=CC(C)CN;NRFZTLNJAFEZLN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260663;MM260663;CC(C)=CC=CC(C)CF;NFRLSVAASCRYAZ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260664;MM260664;CCC(C)C=CC=C(C)F;BWKLEOGCJXOVPH-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260665;MM260665;CC(C=CC=C(F)F)CN;JAZBFLZZBILJSH-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260666;MM260666;CCC(N)C=CC=C(C)C;YEDVBVFCMSLCAB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260667;MM260667;CC(C)=CC=CC(N)CN;PTVKVBRQOSYVDQ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260668;MM260668;NCC(N)C=CC=C(F)F;WRZCJCGYUNPNED-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260669;MM260669;NCC(O)C=CC=C(F)F;WMXVMQBWELSNLC-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260670;MM260670;CC(F)=CC=CC(F)CN;RBVBCIAGXOFUAL-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260671;MM260671;CNC(C)C=CC=C(F)F;WZKYSDMYURNUDA-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260672;MM260672;CC(C)=NN=CC(C)CO;JCEUJZNTIFQXAB-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260673;MM260673;CC(C)=NN=CC(N)CN;PRDZUVVEAWCASK-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260674;MM260674;CCC(O)C=NN=C(C)C;HDMKKZMRUNALTM-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260675;MM260675;CC(C)=NN=CC(O)CN;HZJWVCANKFKRKM-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260676;MM260676;CC(C)=NN=CC(O)CF;IVHBJTULXGTSRK-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260677;MM260677;CC(C)=NN=CC(F)CN;RBLRPIMIFATOAN-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260678;MM260678;CC(C)=NN=CC(F)CO;ZZEOGRHFJSMIEH-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260679;MM260679;COC(C)C=NN=C(C)C;RXQSVZGSUINWAG-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260680;MM260680;CCN(C)C=NN=C(C)C;VTWWFWZEHWOBFV-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260681;MM260681;CCN(N)C=NN=C(C)C;NSMJYTLEUQXBNV-UHFFFAOYSA-N;142.21;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260682;MM260682;CON(C)C=NN=C(C)C;SVYMGVXSCXVJLE-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260683;MM260683;CCN(C)N=CC=C(C)C;LJPINXIOZJRLNB-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260684;MM260684;CCN(C)N=CC=C(C)F;NAPIKLHTMFLJDD-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260685;MM260685;CC(C)=CC=CC(C)C#N;UBYXMQRCFMAZOT-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260686;MM260686;CC(C=O)C=CC=C(F)F;DSNIVWBSTRBPCL-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260687;MM260687;CC(C#N)C=CC=C(F)F;KLXLKFFXEXLWBC-UHFFFAOYSA-N;143.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260688;MM260688;CC(C)=CC=CC(O)C=O;ZKAMBKOXMGCRQS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260689;MM260689;CC(F)=CC=CC(O)C=O;LEPGGBYRAQRNKG-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260690;MM260690;CC(F)=CC=CC(O)C#N;QPBPPXHQBXOQNC-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260691;MM260691;NN=COCCOCCO;SAJXBWREYCHJFV-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260692;MM260692;O=CC(O)C=CC=C(F)F;GCYJUBOBFDNTRZ-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260693;MM260693;NN=CCOCOCCO;GWYKYVRCGROFAV-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260694;MM260694;CC(C)=NN=CC(C)C#N;MECYOPBHNUOGCZ-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260695;MM260695;C=CC(O)C=NN=C(C)C;RKGQHFQHYYNLPO-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260696;MM260696;CC(C)=NN=CC(O)C=O;BXZXMWDJSZXSOB-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260697;MM260697;C=CC(F)C=NN=C(C)C;PIKOEQMZHFEXGX-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260698;MM260698;CC(C)=NN=CC(F)C#N;AVPSCCKYSKHSKM-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260699;MM260699;CC(F)=CC=CN(C)C=N;YIODTYHSDKNBMK-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260700;MM260700;CC(F)=CC=CN(C)C=O;QRTLZVRIATYHPG-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260701;MM260701;CC(F)=CC=CN(N)C=N;BDSMNTGFOIPLEI-UHFFFAOYSA-N;143.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260702;MM260702;CC(F)=CC=CN(N)C=O;LFWZRZSAUGZFII-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260703;MM260703;CC(F)=CC=CN(O)C=N;PVEGJVPEDAAMQO-UHFFFAOYSA-N;144.15;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260704;MM260704;C=CN(C)C=NN=C(C)C;UDYIGOVGXFUOHQ-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260705;MM260705;CNN=CCCOCCO;MHNWQVFGAASLJG-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260706;MM260706;CNN=COCOCCO;OGEKRVYSFZMXRV-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260707;MM260707;C=NN(C)C=NN=C(C)C;OIPUTTUHDDGAJP-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260708;MM260708;CC(N)=CC=NN(C)C=O;DKAOKCULJNNRAA-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260709;MM260709;CC(F)=CC=NN(C)C=N;STHZEIQTSZVFED-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260710;MM260710;CC(F)=CC=NN(C)C=O;SEABIBZJDAWXKI-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260711;MM260711;CN(C=O)N=CC=C(N)N;FAOCLIRBGGUOQT-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260712;MM260712;CN(C=N)N=CC=C(F)F;KUBLLMVZDXMQCC-UHFFFAOYSA-N;147.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260713;MM260713;C#CC(C)C=CC=C(C)C;OJWYSWZGFBSUDF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260714;MM260714;C#CC(C)C=CC=C(F)F;WZHGDLAAMSJMOC-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260715;MM260715;C#CC(O)C=CC=C(C)F;FUYUMRFZFATGBF-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260716;MM260716;C#CC(O)C=NN=C(C)C;QHEGWMLGHRXQBZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260717;MM260717;C#CC(F)C=NN=C(C)C;RDLGDSVOXOVRHJ-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260718;MM260718;C=C(C=CC=C(C)C)CC;VJFUCFGDUZKWQT-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260719;MM260719;C=C(C=CC=C(C)C)CN;HBQWVAPWKNSAQH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260720;MM260720;C=C(C=CC=C(F)F)CF;NJDJMIXROPEHSY-UHFFFAOYSA-N;148.13;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260721;MM260721;CC(F)=CC=CC(=O)CO;HGRIIHPDPZXXPB-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260722;MM260722;O=C(C=CC=C(F)F)CO;RASVXTCLHLLCPK-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260723;MM260723;CC(F)=CC=CC(=N)NN;ARVITOONYBMQFJ-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260724;MM260724;O=CC=NOCOCCO;UUMQCPHPCKHCCW-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260725;MM260725;C=C(C=NN=C(C)C)CN;WIPUCSODCXYCHH-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260726;MM260726;C=C(C=NN=C(C)C)CF;KEMCDRZISMLFSM-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260727;MM260727;CC(C)=NN=CC(=O)CO;PUXILDCNMSAUTQ-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260728;MM260728;CC(C)=NN=CC(=O)CF;GJHBSDFQTIEDMU-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260729;MM260729;CNC(=N)C=NN=C(C)C;PMBATSJEXNFNPG-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260730;MM260730;C=C(C=NN=C(C)C)OC;OGBNTTFJJPVKTJ-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260731;MM260731;COC(=O)C=NN=C(C)C;JCMLAMYWSJZEAK-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260732;MM260732;CC(C)=CC=CC(=O)C=O;KCCGUWDRSLBLSS-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260733;MM260733;C=CC(=O)C=CC=C(C)F;WHZANUVBKXPQPA-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260734;MM260734;CC(F)=CC=CC(=O)C=O;HPJRRWWBPBEIQX-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260735;MM260735;CC(F)=CC=CC(=O)C#N;AWHQSIKSGHCQOP-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260736;MM260736;C=CC(=O)C=CC=C(F)F;KMBVOXIHUNLLNO-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260737;MM260737;O=CC(=O)C=CC=C(F)F;MTHGWNVDOYRZQL-UHFFFAOYSA-N;146.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260738;MM260738;C=C(C=O)C=NN=C(C)C;ZPHLRADTXVMUAF-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260739;MM260739;C=CC(=O)C=NN=C(C)C;ZKBXATJZTQCXGK-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260740;MM260740;CC(C)=NN=CC(=O)C#N;GUYDPZOZGWXYLO-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260741;MM260741;C#CC(=C)C=CC=C(F)F;PFFRWAPGUHOTHJ-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260742;MM260742;C#CC(=O)C=CC=C(F)F;AXHRBCDRNVKQPA-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260743;MM260743;C#CC(=C)C=NN=C(C)C;IDMYYUVXESHOMV-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260744;MM260744;C#CC(=O)C=NN=C(C)C;OQDFNCUPZFQXHT-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260745;MM260745;CC(C=CC=C(F)F)=NN;WFTMJRPROBDEMU-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260746;MM260746;CC(C=NN=C(C)C)=CN;DMOICBXMEUQEFL-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260747;MM260747;CC(C)=NN=CC(F)=CN;LAJNWOMZVWBWGS-UHFFFAOYSA-N;143.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260748;MM260748;CC(C)=NN=CC(C)=NO;CROYTYJUFBIXGE-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260749;MM260749;CC(C)=CC#CC(N)CO;UVKDAZWOPYEPRE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260750;MM260750;NCC(O)C#CC=C(F)F;FDXYCQQQMIWCFF-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260751;MM260751;OCC(O)C#CC=C(F)F;ZJPQGPDXHXPHKI-UHFFFAOYSA-N;148.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260752;MM260752;CC(F)=CC#CC(F)CO;RJUAEWXQQAFBRR-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260753;MM260753;CC(C)=CC#CC(C)C#N;RVHCIDZQTSTAKI-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260754;MM260754;CC(F)=CC#CC(C)C#N;CBWBUHGLURSZNF-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260755;MM260755;CC(C#N)C#CC=C(F)F;TXICDKPTNOREEB-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260756;MM260756;CC(F)=CC#CC(O)C=O;VEVRVHZCBGVLCJ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260757;MM260757;CC(F)=CC#CC(O)C#N;ONVKMYZYOODKSH-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260758;MM260758;N#CC(O)C#CC=C(F)F;PXRACINTWHXLQM-UHFFFAOYSA-N;143.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260759;MM260759;C#CC(O)C#CC=C(C)C;TVMXFBLBQQSZDR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260760;MM260760;C#CC(O)C#CC=C(C)F;SMAVWABHNWOTEB-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260761;MM260761;C#CC(O)C#CC=C(F)F;CTEGKFQUAYFNFV-UHFFFAOYSA-N;142.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260762;MM260762;C#CC(F)C#CC=C(C)F;FLIUGVNFDKOFNQ-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260763;MM260763;C=C(C#CC=C(C)F)CN;DDFFCCYLYFLOPI-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260764;MM260764;CC(F)=CC#CC(=O)CO;IQEISXAFOJMBQX-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260765;MM260765;CNC(=N)C#CC=C(C)F;KWTPJHYFUPHQDW-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260766;MM260766;CNC(=N)C#CC=C(F)F;MMNGSOPUYPZCID-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260767;MM260767;CNC(=O)C#CC=C(C)C;LGVYQFCBMOQJQJ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260768;MM260768;CNC(=O)C#CC=C(C)F;ZGSONQVAICQNDS-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260769;MM260769;CC(F)=CC#CC(=O)NN;SDRWJMQZFXWSOB-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260770;MM260770;CNC(=O)C#CC=C(F)F;SWGWVQMNBGDULQ-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260771;MM260771;NNC(=O)C#CC=C(F)F;CZYVNTNQSYCBJZ-UHFFFAOYSA-N;146.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260772;MM260772;COC(=O)C#CC=C(C)F;QKTYNYNUVMSBTF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260773;MM260773;C=C(C#N)C#CC=C(C)C;PWKQYVDQGXVEJF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260774;MM260774;C=CC(=O)C#CC=C(C)C;ZBRNIVRRLHEYNW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260775;MM260775;CC(F)=CC#CC(=O)C#N;IXRNLWZXLILTET-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260776;MM260776;C#CC(=C)C#CC=C(C)C;AYXINULOBHTAHR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260777;MM260777;C#CC(=O)C#CC=C(C)C;QZSSIVOBLXOWAQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260778;MM260778;C#CC(=O)C#CC=C(C)F;MRXUGFOBQXKPSG-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260779;MM260779;CC(F)=CC#CC(C)=NO;FWJSFJHWMCHACW-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260780;MM260780;CC(=CCCC(C)N)CN;RKGYMBHSSBUKLQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260781;MM260781;CC(=CCCC(C)N)CF;YNQGEWVQLIQUSL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260782;MM260782;CC(=CCCC(C)F)CN;BRQKFICGZNRGOQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260783;MM260783;CC(=CCCC(F)F)CN;ZKACPCSLBAYKFV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260784;MM260784;CC(=CCCC(F)F)CF;JCRJPAXNSDVHKT-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260785;MM260785;CCC(C)=COCC(C)N;WQNSNOYSQHSYRV-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260786;MM260786;CC(=COCC(C)N)CN;BICVGYPRRBVEJL-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260787;MM260787;CCC(C)=COCC(C)O;MEUNVXMBCYCJTQ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260788;MM260788;CC(=COCC(C)O)CO;SDUVTUMDSHGUGF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260789;MM260789;CC(N)COC=C(F)CO;HENSBHWAFSDBJW-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260790;MM260790;CC(N)COC=C(F)CF;MAIHNPCLAGUEDU-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260791;MM260791;CC(O)COC=C(F)CF;FPYFARJEULVFHJ-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260792;MM260792;CC(F)COC=C(F)CO;YGZWBXKBUSZLPV-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260793;MM260793;COC(C)=COCC(C)N;PKAHYGGIXSSJSN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260794;MM260794;COC(C)=COCC(C)O;LIBLFZAPAORMOJ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260795;MM260795;CCC(C)=CCNC(C)C;DHTONYVAYXGWJZ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260796;MM260796;CC(=CCNC(C)C)CO;LNNYGPDELLNFNC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260797;MM260797;CC(=CCNC(C)C)CF;GNWQJXGMXFUVMO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260798;MM260798;CC(C)NCC=C(F)CN;IYFUOMVAUVARQX-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260799;MM260799;COC(C)=CCNC(C)C;QDYFVRWQFRWMFI-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260800;MM260800;CCC(C)=NNCC(C)C;ZHCTWLPMIFPARY-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260801;MM260801;CC(CN)=NNCC(C)N;ZBRDMWKXAUXNFJ-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260802;MM260802;CC(CF)=NNCC(C)N;NZUMYLBFGJFHCZ-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260803;MM260803;CCC(C)=NNCC(C)F;LDSQUQAPWPRSFV-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260804;MM260804;OCCOCC#CC1CN1;DPVKSRJQQFIZLR-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260805;MM260805;CCC(C)=NOCC(C)N;KIAWYJWLLHCSHE-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260806;MM260806;CC(CF)=NOCC(C)N;SSFHPHIOUFHGAH-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260807;MM260807;O=CN1CC=C(CO)CN1;AWEYYZLEZVYZAZ-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260808;MM260808;CCC(C)=NOCC(C)F;NJEUPEJXRNKOHO-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260809;MM260809;NN=CCNC(N)=O;DWMRNOQQMCWIJJ-UHFFFAOYSA-N;116.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260810;MM260810;C=C1CC(=O)C(=N)N1;XBDJULBRFGIGNM-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260811;MM260811;CC(=CCCN(C)C)CN;PFGVNICKOJUKIC-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260812;MM260812;CC(=CCCN(C)C)CF;NLAZHAYTPXOQOZ-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260813;MM260813;CC(C=O)=CCCC(C)F;PYDODOVFSBJXOM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260814;MM260814;CC(C=O)=CCCC(F)F;MQWMTICINJZBPN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260815;MM260815;C=CC(F)=CCCC(C)N;CHSRQKCWBPDGPY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260816;MM260816;CC(C=O)=CNCC(C)C;VMBXSWKXBBWSQH-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260817;MM260817;CC(CO)NCC#N;QRIMBPVGOASALD-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260818;MM260818;CC(C=O)=CNCC(C)F;VDLFFAFDFDAWGY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260819;MM260819;CC(C)CNC=C(F)C=O;FKMCUJNOHSJLGP-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260820;MM260820;CC(F)CNC=C(F)C=O;LPGZEUCUGLFREX-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260821;MM260821;CC(C=O)=COCC(C)O;CBUOPXQPHIHWIV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260822;MM260822;CC(C#N)=COCC(C)O;UGKNDWWCJUZNKI-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260823;MM260823;C=CC(F)=COCC(C)N;TYRBXJSELVLWNN-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260824;MM260824;CC(O)COC=C(F)C=O;MUABYPVLZKSJAL-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260825;MM260825;CC(O)COC=C(F)C#N;ZDRPMIINYUTSTK-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260826;MM260826;C=CC(C)=CCNC(C)C;RAGYWHLPNHLDMF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260827;MM260827;CC(C=O)=CCNC(C)C;YJDKJQNTAFDDEV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260828;MM260828;C=CC(F)=CCNC(C)C;NAZQMGKAICZQKD-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260829;MM260829;C=CC(C)=NNCC(C)C;SHMFAKMMBTYMTA-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260830;MM260830;NN=C1CCC(O)C1;ILNKRQAGJGNGCP-UHFFFAOYSA-N;114.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260831;MM260831;C=CC(C)=NNCC(C)F;MSEREEQQEDYFMK-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260832;MM260832;C=C(CO)C1CN1C;HUBZNICAWRCFIG-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260833;MM260833;N#Cc1conc1N;LNFYBZNMQYBIIN-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260834;MM260834;CC(C#N)=NOCC(C)C;ASBNRVWBBNQANO-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260835;MM260835;CC(C#N)=NOCC(C)O;CGYKQZPSNSAZLM-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260836;MM260836;CC(C=O)=NOCC(C)F;DHLFYOQOVKUUBA-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260837;MM260837;CC(C#N)=NOCC(C)F;CWHNVRDARVDTKU-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260838;MM260838;CC(C#N)=CCCN(C)C;CDYCSAMRMQPRJL-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260839;MM260839;C#CC(C)=COCC(C)N;DJBYFZIXHMFRJI-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260840;MM260840;C#CC(C)=CCNC(C)C;XTNXOWCGCBPXFY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260841;MM260841;C#CC(F)=CCNC(C)C;RQYJBNZSJPPQCA-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260842;MM260842;C#CC(C)=NNCC(C)N;KYMJJLSFCAXEAQ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260843;MM260843;CN(O)C=NCC(N)=O;UMAFUBUBCFMUCF-UHFFFAOYSA-N;131.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260844;MM260844;C#CC(C)=NOCC(F)F;NGUQBURQBCRXMR-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260845;MM260845;CC(=O)CCC=C(C)CF;UCGRHOZJQYSFRU-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260846;MM260846;CCC(C)=CCCC(=N)N;DNJLCTFBBGUAAM-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260847;MM260847;CC(=CCCC(=N)N)CN;MEMGPHGLZPEVEJ-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260848;MM260848;CC(=CCCC(=N)N)CF;BDMXGKFQZJJEPI-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260849;MM260849;CC1(C)NC1C(=O)CF;NZAAGRDLYHPWMI-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260850;MM260850;CC(C#N)NC(C)CO;OEJNOOMXFWZPQN-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260851;MM260851;CCON=C(N)C(N)=O;FCTPISDEVILJFG-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260852;MM260852;CCC(C)=CCCC(=O)O;SRZROCIHKKEPTM-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260853;MM260853;C=C(F)CCC=C(C)CN;LOTFAMVUMLDWFO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260854;MM260854;N=C(N)CCC=C(F)CN;BRGXVCHDZCXRRK-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260855;MM260855;Cc1cc(C#N)[nH]c1N;ZATQHHUUKTXNSQ-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260856;MM260856;CCC(F)=CCCC(=O)O;CIZUJRIFYVJMAI-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260857;MM260857;CC(=O)COC=C(C)CO;IHVFBBMKAACTRS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260858;MM260858;CCC(C)=COCC(=N)N;UAQCLICXFVSJFJ-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260859;MM260859;CC(=COCC(=N)N)CO;UGNZWPOGEPFJFM-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260860;MM260860;CCC(C)=COCC(N)=O;QRBTUVVTPBFWRD-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260861;MM260861;CC(=CC(=O)O)CC(N)=O;NOXOVTXGBTVHNG-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260862;MM260862;C=C(F)COC=C(C)CN;IMOCAWQWEVQYTP-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260863;MM260863;CCC(F)=COCC(=N)N;NICIOZUBSBLFBW-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260864;MM260864;CCC(F)=COCC(N)=O;OWMTZXCQIAIEDD-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260865;MM260865;NC(=O)COC=C(F)CO;UJMXDFHETNJWFV-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260866;MM260866;C=C(F)COC=C(F)CO;ZMXUPUNHSNVVBQ-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260867;MM260867;COC(C)=COCC(N)=O;WCWKUUAWSRYLDQ-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260868;MM260868;CN(C=O)CCC(=O)O;WXXDJYNXUHKOIG-UHFFFAOYSA-N;131.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260869;MM260869;CC(=N)NCC=C(C)CN;IPXCQSZQZQLOFM-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260870;MM260870;CC(=N)NCC=C(C)CO;MNMWLMAOBIJAID-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260871;MM260871;CC(=N)NCC=C(C)CF;DQLYSOPTPLJSHP-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260872;MM260872;CCC(C)=CCNC(=N)N;JZVJCKRBMWZVPJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260873;MM260873;CC(=CCNC(=N)N)CN;ZANHSSYFSHVCIL-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260874;MM260874;CCC(C)=CCNC(N)=O;JLYRJEIQROIVDD-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260875;MM260875;CC(=N)NCC=C(F)CO;IYEHFLJHJPYEOW-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260876;MM260876;CCC(F)=CCNC(C)=O;CLVPWTWKLCOLMF-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260877;MM260877;CC(=O)NCC=C(F)CF;BSFRSJVLLOOSAO-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260878;MM260878;CCC(F)=CCNC(N)=O;GBCWMVWOMCSEBN-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260879;MM260879;NC(=O)NCC=C(F)CO;TZFMOKAFSQZXPK-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260880;MM260880;COC(C)=CCNC(C)=O;HSIQOBXOOBCDFI-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260881;MM260881;COC(C)=CCNC(=N)N;NKCSGHKECPMEJK-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260882;MM260882;COC(C)=CCNC(N)=O;FILDNXFJQMZFJJ-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260883;MM260883;C=C(C)OCC=C(C)CN;CIRLBMIWOAQWNX-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260884;MM260884;C=C(C)OCC=C(C)CO;NELQGSCXGVTITQ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260885;MM260885;CC(=O)OCC=C(C)CN;HDEPATVZJAPHSB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260886;MM260886;CCC(C)=CCOC(=N)N;ADVNMLAEPUMYNP-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260887;MM260887;CC(=CCOC(=N)N)CN;PNPKLTLOJVYYTC-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260888;MM260888;CCC(C)=CCOC(N)=O;PFCAFYQOVWDTDO-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260889;MM260889;CC(=CCOC(N)=O)CO;QXCWYBALVFUDAN-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260890;MM260890;N=C(N)OCC=C(F)CN;OMTIJYFODZSJCS-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260891;MM260891;N=C(N)OCC=C(F)CF;JHHKYHBSWUBWCG-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260892;MM260892;CCC(F)=CCOC(N)=O;WUGHOATXXRVJLP-UHFFFAOYSA-N;147.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260893;MM260893;NC(=O)OCC=C(F)CO;TVSZANUGCWVMEH-UHFFFAOYSA-N;149.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260894;MM260894;NC(=O)OCC=C(F)CF;LNZRUYOMXXOFNZ-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260895;MM260895;COC(C)=CCOC(C)=O;JGGOJEINKXBRRX-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260896;MM260896;COC(C)=CCOC(N)=O;NXNVXLLVJBNKAD-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260897;MM260897;NN=CC1=CCC(O)C1;HGUYYRPBVGSZCB-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260898;MM260898;C=C(F)CNN=C(C)CC;NGAOYVNJWORQNP-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260899;MM260899;C=NNc1cc(C)[nH]n1;HVJORKIHPLJPMK-UHFFFAOYSA-N;124.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260900;MM260900;COC(C)=NNCC(=N)N;PISVSLNPCPNNGI-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260901;MM260901;O=CC12CC(O)CC1N2;LGNOINSSFPRNPL-UHFFFAOYSA-N;127.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260902;MM260902;N#CCN1CC1C(N)=O;DDOQHUFJEPHDKN-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260903;MM260903;NN=C1C=C(CO)CC1;YIHBWZGGBOSQLX-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260904;MM260904;CC(CO)=NOCC(=N)N;GPQVKDVCHUWZIE-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260905;MM260905;CC=C(CO)CN1CC1;NZYSOQYBGLPTAL-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260906;MM260906;CC(CN)=NOCC(N)=O;JZNNDFUOVUVTFS-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260907;MM260907;Cc1onnc(=NO)c1O;GQIULAWCVNFFTC-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260908;MM260908;C=C(CO)C1NC1CF;NKGHGDWCJIXLIO-UHFFFAOYSA-N;131.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260909;MM260909;CC(=NO)NOCC(=N)N;DZKFSJXCTYNWBJ-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260910;MM260910;C=C(F)CONC(C)=NO;XERMLIGZJBVSGE-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260911;MM260911;C=C(C)CON=C(C)OC;RPSYYISKTMFIEM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260912;MM260912;COC(C)=NOCC(=N)N;VOJGMTWVVPWLGM-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260913;MM260913;C=C(CO)C1CN1CC;DCNHFTRUHDCGJH-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260914;MM260914;C=C(F)CON=C(C)OC;AMWWQMXSUJPBJG-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260915;MM260915;C=CC(C)=CCCC(=N)N;YFEWDKQVTJTKDB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260916;MM260916;C=CC1NC1C(=C)CO;GRMGVLPFWWDCBH-UHFFFAOYSA-N;125.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260917;MM260917;C=C(CO)C1NC1C#N;LBNLFPUUIBDZPG-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260918;MM260918;C=CC(C)=CCCC(=O)O;ADYSIWWJWZPGCD-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260919;MM260919;O=CC(O)C(CO)=NO;KJUUJXAUIZRDIF-UHFFFAOYSA-N;133.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260920;MM260920;C=C(F)CCC=C(C)C=O;GYDJMZPHZUCBCK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260921;MM260921;C=C(C)CNC=C(C)C=O;WRSASAWYTWVEDO-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260922;MM260922;C=C(C)CNC=C(C)C#N;MWYBTDGYBOUUBY-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260923;MM260923;N#CC(F)=CNCC(=N)N;GTBOPDBVQGJTOF-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260924;MM260924;NC(=O)CNC=C(F)C=O;NWPKXPAJRIUNQB-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260925;MM260925;N#CC(F)=CNCC(N)=O;ZNKVOBNSBWBSLK-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260926;MM260926;C=C(F)CNC=C(F)C=O;FDSREVCMPFMDIV-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260927;MM260927;CC(C#N)=COCC(=N)N;BYZGHAXPXNTRBH-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260928;MM260928;CC(C#N)=COCC(N)=O;RSBBUOFHKLTWBP-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260929;MM260929;CC(C)(C)NN=CC(=O)O;DVTMRRPSLMSXBK-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260930;MM260930;CC(=O)COC=C(F)C=O;KDNYNMPSYQHNEF-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260931;MM260931;C=CC(F)=COCC(=N)N;WCSUGLJNQSAJNY-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260932;MM260932;CN=c1nc(O)nnn1C;QGALPQLJIQVONT-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260933;MM260933;CC(=O)NCC=C(C)C=O;KCGBRYQGYSCFOT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260934;MM260934;CC(C=O)=CCNC(=N)N;YTKCWOHOBULKCA-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260935;MM260935;C=CC(C)=CCNC(N)=O;QGTCIXLNASDOBU-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260936;MM260936;CC(C=O)=CCNC(N)=O;LQKSXNOORIVWQI-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260937;MM260937;C=CC(F)=CCNC(N)=O;IJCRAIOLJJMHLQ-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260938;MM260938;N#CC(F)=CCNC(N)=O;DUBMZOLODNESJB-UHFFFAOYSA-N;143.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260939;MM260939;CC(C#N)=CNNC(=N)N;MQUAMEKGTGOJPN-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260940;MM260940;CC(C=O)=CNNC(N)=O;JSAXEXAOHUZRAV-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260941;MM260941;CC(C#N)=CNNC(N)=O;YGJZYTPVBPADPU-UHFFFAOYSA-N;140.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260942;MM260942;CC(=O)NNC=C(F)C#N;CWJJZLXUPURVBG-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260943;MM260943;N#CC(F)=CNNC(=N)N;SFIPHWYHPAYZQY-UHFFFAOYSA-N;143.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260944;MM260944;N#CC(F)=CNNC(N)=O;ZBCLENQTNNMWHR-UHFFFAOYSA-N;144.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260945;MM260945;C=C(C)OCC=C(C)C=O;ONJZGIJDFBOCJO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260946;MM260946;C=CC(C)=CCOC(=N)N;MSWLULHHZVFQJD-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260947;MM260947;CC(C#N)=CCOC(=N)N;HUZGPAUAJQUDAS-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260948;MM260948;C=CC(C)=CCOC(N)=O;YYFJBWOQIGDXHF-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260949;MM260949;CC(C=O)=CCOC(N)=O;SVLWIKWSHFSIOU-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260950;MM260950;C=CC(F)=CCOC(=N)N;RPLSAVCEHBUBSU-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260951;MM260951;N=C(N)OCC=C(F)C=O;WDHATUGOBLSZLN-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260952;MM260952;N#CC(F)=CCOC(=N)N;GJLQMDWIOHDNLS-UHFFFAOYSA-N;143.12;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260953;MM260953;C=CC(F)=CCOC(N)=O;YOHXTRYOKAIYTM-UHFFFAOYSA-N;145.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260954;MM260954;C=CC(C)=NNCC(=C)C;UUSJFURLCSZEEP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260955;MM260955;NN=C(CO)CCC(=O)O;RJROVJUNJHTYOE-UHFFFAOYSA-N;146.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260956;MM260956;C=NN1CC1C(=C)CO;VKIPCZQRMOTELE-UHFFFAOYSA-N;126.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260957;MM260957;C=C(C)CON=C(C)C#N;FKUOQWGKSJUZDU-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260958;MM260958;C#CC1NC1C(=C)CO;JZCIPXQFPQSPGY-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260959;MM260959;CC(C#N)=NOCC(N)=O;ILEFUSZQCKBCHD-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260960;MM260960;C=C(F)CON=C(C)C=O;DJJHYPOCVFFRES-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260961;MM260961;C=C(F)CON=C(C)C#N;ISCVCESTOCNNKC-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260962;MM260962;C#CC(C)=CCCC(=N)N;GNXZLQDBDGYQEU-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260963;MM260963;C=C(CO)C1C(C)N1C;WNUHWFRBUZJEBA-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260964;MM260964;C#CC(C)=CCCC(=O)O;KJXVUWKDNUUDGJ-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260965;MM260965;C#CC(C)=COCC(C)=O;QEUGEXFSPJQGOX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260966;MM260966;C#CC(C)=COCC(=N)N;JJMOZMKEYKSTBU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260967;MM260967;C#CC(C)=COCC(=C)F;KFFIDMKBCJEXBC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260968;MM260968;C#CC(F)=COCC(C)=O;SDAIHGPCMBCOGT-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260969;MM260969;O=C(O)CC=NNCCF;SDALMGSOPUWMTC-UHFFFAOYSA-N;148.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260970;MM260970;C#CC(C)=CCNC(C)=N;BVXQZSZIEPMFKB-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260971;MM260971;C#CC(C)=CCNC(N)=O;KFUUPVFMNUGBTB-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260972;MM260972;C#CC(F)=CCNC(=N)N;JACXSDXFAUSMLO-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260973;MM260973;C#CC(F)=CCNC(N)=O;VTAZTZRHIQGTJC-UHFFFAOYSA-N;142.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260974;MM260974;C#CC(C)=CCOC(=N)N;AOFGGZBVQQIOEX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260975;MM260975;C#CC(C)=CCOC(N)=O;NJLSYNSMRAPDIB-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260976;MM260976;C#CC(F)=CCOC(C)=O;KEKBHUZKFHBXOY-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260977;MM260977;C#CC(C)=NOCC(=C)C;SSTYIXDWQKTYLX-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260978;MM260978;C#CC(C)=NOCC(=N)N;YLBIDQSSUNPALA-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260979;MM260979;C=C(CO)C(C)N1CC1;ZDRGFAAYVXYUDZ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260980;MM260980;CCC(C)=CC=CC(C)C;OYAKEUHRGLVKLO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260981;MM260981;CC(=CC=CC(C)N)CF;ZWBPTHQSIVKTPB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260982;MM260982;CC(=CC=CC(C)F)CN;XFTMKMWMJZRPGS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260983;MM260983;CC(CO)=NN=CC(C)C;YZVLSYAYHBYLEI-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260984;MM260984;CC(CO)=NN=CC(C)F;LPHYMCNLYKMBAP-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260985;MM260985;COC(C)=NN=CC(C)O;LCYDLMSHCZQDPK-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260986;MM260986;COC(C)=NN=CC(F)F;PTQUPBCFGDIPFS-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260987;MM260987;N#CC=C(F)C=CC(N)=O;NRDSEXFUIYIGTM-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260988;MM260988;COC(C)=CC=NN(C)C;GGZCMNQVLYWCMO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260989;MM260989;C=C(F)C(=N)N(C)C(N)=O;BACQLLFEVDWHRS-UHFFFAOYSA-N;145.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260990;MM260990;CC(O)CNN(C)C(N)=O;BYFVZMGQXKOVBD-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260991;MM260991;CC(C=O)=NN=CC(C)O;UILILPUXBQDAOZ-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260992;MM260992;CC(C#N)=NN=CC(C)O;CFLYEJIIVSFIET-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260993;MM260993;CC(C#N)=NN=CC(C)F;ZYPULPXWHWHZSV-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260994;MM260994;CC(C#N)=NN=CC(F)F;HQCJIENLDFYWNQ-UHFFFAOYSA-N;145.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260995;MM260995;CON=C(C)C=C(C)CO;SNPBXOWXHZBFAO-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260996;MM260996;CC(C=O)=CC=NN(C)C;QDGLOVIUFPOUCG-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260997;MM260997;CC(C#N)=CC=NN(C)C;KRDHNGXFDFGNKF-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260998;MM260998;CN(C)N=CC=C(F)C#N;LKYMKKSOCYLRSJ-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM260999;MM260999;CC(C#N)=NN=CN(C)C;FXQPANUDWGFPRY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261000;MM261000;C=CC(C)=NN=CN(C)N;DQERUKCBTWNNSC-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261001;MM261001;CN(O)C=NN=CCCO;VPFBHHUGKHBCNR-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261002;MM261002;C#CC(F)=CC=CC(F)F;HKQQVYHWFZWEEM-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261003;MM261003;C#CC(C)=NN=CC(C)O;XQFWDASJZBAIKZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261004;MM261004;C#CC(C)=CC=NN(C)C;KZCYYDRMNPNYMC-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261005;MM261005;C#CC(C)=NN=CN(C)N;NDTMNYMOZDRXKA-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261006;MM261006;C=NNCCC(O)CCF;UXNSIHFFCGLYLQ-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261007;MM261007;C=C(C)C=CC=C(C)CC;NVQRIRLJPCDULK-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261008;MM261008;C=C(C)C=CC=C(C)CO;XLMPRIABDVPKLC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261009;MM261009;CC(=O)C=CC=C(C)CF;YFELZJKZQOBHPP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261010;MM261010;CC(=CC=CC(=N)N)CO;UCULLWLLHIIKIS-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261011;MM261011;CC(=CC=CC(N)=O)CN;JBEMRVZKIREVMQ-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261012;MM261012;CN(N=CC=NN)C(N)=O;XVBQCGPHYVPUNL-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261013;MM261013;CC(=O)C=CC=C(F)CO;YQLFHQXDXUTCMQ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261014;MM261014;CNN=C(C=CF)C(N)=O;XXMPCAHGCIUYCO-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261015;MM261015;COC(C)=CC=CC(C)=O;WQHDPSNOYSDAMI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261016;MM261016;C=C(C)C=NN=C(C)CO;PIMXOGSSTPIWLZ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261017;MM261017;CCC(C)=NN=CC(=N)N;ACBUGXHYMPVJJK-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261018;MM261018;CCC(C)=NN=CC(N)=O;XXSQHEDMERSMOC-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261019;MM261019;CC(CF)=NN=CC(N)=O;KKMXEVZLMDCAIF-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261020;MM261020;NN=CC1CC1C(=O)O;JDGHUKFMWPPEDJ-UHFFFAOYSA-N;128.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261021;MM261021;C=C(C)C=NN=C(C)OC;BGHHKDZRXHXJEJ-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261022;MM261022;COC(C)=NN=CC(C)=O;VBNZGJSBWCNVNC-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261023;MM261023;CC(C#N)=CC=CC(=N)N;WSZXPXBPSQHITO-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261024;MM261024;N#CC(F)=CC=CC(=N)N;JUVVCDUBGTYQNS-UHFFFAOYSA-N;139.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261025;MM261025;Nc1nc(=O)cc(F)n1N;UGVXTLZHDQCWFT-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261026;MM261026;CC(CO)NCC(F)C#N;WVMOOQWGTPQWJW-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261027;MM261027;CC(=O)C=NN=C(C)C#N;BVMWZPJCLKKFAC-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261028;MM261028;C=CC(C)=NN=CC(=N)N;FHEXFNSDCNOCAI-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261029;MM261029;C=CC(C)=NN=CC(N)=O;GOBQCBZHJPPEAC-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261030;MM261030;C=C(F)c1oc(=O)oc1O;GIJHDZTYYWKZBT-UHFFFAOYSA-N;146.07;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261031;MM261031;CCC(C)=CC#CC(C)C;RMZQNNJZGIUGEX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261032;MM261032;CC(=CC#CC(C)C)CN;COYRHMXPRBDRCX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261033;MM261033;CCC(C)=CC#CC(C)O;RPDCSFRSVFGQED-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261034;MM261034;CC(=CC#CC(C)F)CN;XDFVQNXMPXSKNZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261035;MM261035;CCC(C)=CC#CC(F)F;OIKSUFIOPXIDAF-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261036;MM261036;CCC(F)=CC#CC(F)F;VCQFAZJIYNOIQR-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261037;MM261037;COC(C)=CC#CC(C)N;URUYOFOPYJYSRS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261038;MM261038;COC(C)=CC#CC(C)O;MAPNJSVJQIEELX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261039;MM261039;COC(C)=CC#CC(C)F;NSTPDNPVQNIXAJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261040;MM261040;COC(C)=CC#CC(F)F;XIRPJIDCTPJAAY-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261041;MM261041;CC(C=O)=CC#CC(C)C;JVMATGGMPJLCCT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261042;MM261042;CC(C#N)=CC#CC(C)C;VVXXDPCSNZGHNH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261043;MM261043;CC(C#N)=CC#CC(C)O;KXJRRSKPQZXKSE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261044;MM261044;C=CC(C)=CC#CC(C)F;CEMWBIHAQSYIHM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261045;MM261045;CC(C#N)=CC#CC(C)F;QFCPYPKWPDKPSK-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261046;MM261046;C=CC(C)=CC#CC(F)F;QZEMDFUWCWSFAT-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261047;MM261047;CC(C=O)=CC#CC(F)F;NGICBIXRHWJLOC-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261048;MM261048;CC(C#N)=CC#CC(F)F;XRIWYCDPTGSCBN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261049;MM261049;CC(O)C#CC=C(F)C=O;ZPSKFKLWYSZVNE-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261050;MM261050;CC(O)C#CC=C(F)C#N;OFLTWPYWAUGHTA-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261051;MM261051;C=CC(F)=CC#CC(F)F;RFNGDWJPTUHLKE-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261052;MM261052;C#CC(C)=CC#CC(C)C;OLKOAPYRRPAMEG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261053;MM261053;C#CC(C)=CC#CC(C)N;BWNFWSJCZQEHNL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261054;MM261054;C#CC(C)=CC#CC(C)O;IJJAYCCWDZDWSG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261055;MM261055;C#CC(C)=CC#CC(C)F;RCUKPVJIPVPAGF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261056;MM261056;C#CC(C)=CC#CC(F)F;NCAWRNZJSDJHKG-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261057;MM261057;C#CC(F)=CC#CC(C)N;AUYPXQSTUDUWGD-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261058;MM261058;C#CC(F)=CC#CC(C)F;JZZOFCXRQWWQQM-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261059;MM261059;C=C(C)C#CC=C(C)CC;YFDIXGIFENEIPQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261060;MM261060;CCC(C)=CC#CC(C)=O;YRKFSDJKTAVWDH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261061;MM261061;CC(=O)C#CC=C(C)CO;YFIIVUARIRVJSI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261062;MM261062;CCC(C)=CC#CC(=N)N;CYPVDEPXDGEBTL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261063;MM261063;CC(=CC#CC(=N)N)CF;VGKCZMBTPSBALM-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261064;MM261064;CCC(C)=CC#CC(N)=O;YQLFGVPXVOECJC-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261065;MM261065;CC(=CC#CC(N)=O)CO;QWGZZKNJCAQOMX-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261066;MM261066;CC(=CC#CC(N)=O)CF;PIZMADHHVUXAHW-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261067;MM261067;CCC(C)=CC#CC(=O)O;QCGLMLBAIDLQDI-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261068;MM261068;CCC(F)=CC#CC(C)=O;YGVQFWFHCHDBGN-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261069;MM261069;CCC(F)=CC#CC(=N)N;JHVRKRUSMGCKCH-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261070;MM261070;C=C(C)C#CC=C(C)OC;DBJCHNQLDRQMRF-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261071;MM261071;COC(C)=CC#CC(C)=O;AGAJZCDBJGEGRH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261072;MM261072;CCOC=CC(=O)O;SYMAGJYJMLUEQE-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261073;MM261073;C=C(C)C#CC=C(C)C#N;BUHGQDHBLCFAFY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261074;MM261074;C=CC(C)=CC#CC(C)=O;FLRJDOSIIKWLFZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261075;MM261075;CC(=O)C#CC=C(C)C=O;GSKKGVYSNALSHF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261076;MM261076;CC(=O)C#CC=C(C)C#N;JCUGDBNFXMBUPY-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261077;MM261077;C=CC(C)=CC#CC(=N)N;DSHGKTNCYXHQGB-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261078;MM261078;CC(C#N)=CC#CC(=N)N;RDODITLBFSZSOA-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261079;MM261079;C=CC(C)=CC#CC(N)=O;RQUOIFXVHBVOMM-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261080;MM261080;CC(C#N)=CC#CC(=O)O;SXJPBRJYBFDLNH-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261081;MM261081;C=CC(F)=CC#CC(C)=O;RXXGXILIGQWJBP-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261082;MM261082;CC(=O)C#CC=C(F)C=O;CWWNAFKKCXFJCT-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261083;MM261083;CC(=O)C#CC=C(F)C#N;JANWCJQVNZFHGE-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261084;MM261084;C=CC(F)=CC#CC(=N)N;MQSQCDBDGFZXLA-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261085;MM261085;C=CC(F)=CC#CC(N)=O;DDXHMEOWKQSKOR-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261086;MM261086;N#CC(F)=CC#CC(=O)O;GUGOZYVIKDCZCS-UHFFFAOYSA-N;139.09;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261087;MM261087;C#CC(C)=CC#CC(=C)C;AEVLHHIKFDXUFH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261088;MM261088;C#CC(C)=CC#CC(C)=O;LJOUDOGVZHJGPN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261089;MM261089;C#CC(C)=CC#CC(=N)N;PPNUCMWDMADBKF-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261090;MM261090;C#CC(C)=CC#CC(N)=O;YLUDXUSQPQEZHS-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261091;MM261091;C#CC(C)=CC#CC(=O)O;BFSFFZJKEVAWNO-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261092;MM261092;C#CC(F)=CC#CC(C)=O;UISYACBWXJIWMT-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261093;MM261093;C#CC(F)=CC#CC(=N)N;DPCFSNCPNFZWKO-UHFFFAOYSA-N;136.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261094;MM261094;C#CC(F)=CC#CC(N)=O;BYYIIGXLKWKSGW-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261095;MM261095;C#CC(F)=CC#CC(=O)O;JMCRFGRIDQOMCX-UHFFFAOYSA-N;138.1;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261096;MM261096;CC(C)=CCC=C(C)CO;RTAAHZJTBDXDOL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261097;MM261097;CC(F)=CCC=C(C)CN;MLWJOEIEYFRMEP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261098;MM261098;CC(=CCC=C(F)F)CN;XINFGPIGOREPEP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261099;MM261099;CC(C)=COC=C(C)CO;SDPFWEWLPQTWNT-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261100;MM261100;CC(F)=COC=C(C)CN;INPDEKSQGYEVTN-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261101;MM261101;CC(F)=COC=C(C)CO;XDLWZKSWIKLFIM-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261102;MM261102;CC(F)=COC=C(F)CO;JAYXUXDMWWDJNY-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261103;MM261103;OCC(F)=COC=C(F)F;ONHSNHANEGJWKF-UHFFFAOYSA-N;154.09;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261104;MM261104;COC(C)=COC=C(C)F;NBNCUIOPTWBPEZ-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261105;MM261105;COC(C)=COC=C(F)F;RUEUTYCGYHKEKQ-UHFFFAOYSA-N;150.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261106;MM261106;CC(F)=COC=C(C)C#N;CPXZXRSEXROVDO-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261107;MM261107;CC(F)=COC=C(F)C#N;AYNBWKVZBUHVDO-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261108;MM261108;C#CC(C)=CCC=C(F)F;PZWLGEULRCCVDA-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261109;MM261109;CCCC(C)CC(C)CC;VRHRGVJOUHJULC-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261110;MM261110;CCCC(C)CC(C)CN;LKLBSUYMWQRZLL-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261111;MM261111;CC(CN)CC(C)CCN;KSQSUDDRZLCKSW-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261112;MM261112;CC(CN)CC(C)CCF;CQCWWNGMNUSCRC-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261113;MM261113;C=CC1(C)NC1C(=C)CO;DIVNZFKJNVWQNQ-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261114;MM261114;C=C(CO)C1NC1(C)C#N;QOCMDEAFQVIDHR-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261115;MM261115;CCCC(C)CC(C)CF;JXIPFUZRDWUDLZ-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261116;MM261116;CC(CF)CC(C)CCN;UJGTYAZTDCBVKU-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261117;MM261117;CCCC(C)CC(N)CC;KGOHRKQWLMNCDC-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261118;MM261118;CCC(N)CC(C)CCN;XAZFGQIQYBQYAQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261119;MM261119;CCC(N)CC(C)CCO;RPYFYJDSCZKKMS-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261120;MM261120;CCCC(C)CC(N)CN;AQMIRGJQQZQKLZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261121;MM261121;CC(CCN)CC(N)CN;DEOUNHVVQPKITD-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261122;MM261122;CC(CCO)CC(N)CN;BNZCBTVNWPOUNP-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261123;MM261123;CCCC(C)CC(N)CO;NXIPMCRIUUKIMK-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261124;MM261124;CC(CCN)CC(N)CO;QHCMBNKVFOLTNT-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261125;MM261125;CC(CCO)CC(N)CO;DAUPZMBQAFFWNE-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261126;MM261126;CCCC(C)CC(N)CF;JBEVOCZNUFLGHU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261127;MM261127;CC(CCN)CC(N)CF;ATBNOZUMWDRUDI-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261128;MM261128;CC(CCF)CC(N)CF;SDUHJBNNYPOFBC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261129;MM261129;C#CC1(C)NC1C(=C)CO;ZCVYMRLMWRUBKC-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261130;MM261130;CCC(O)CC(C)CCN;YBSHWZKWTJWCJN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261131;MM261131;CCCC(C)CC(O)CN;JZEDCWYUCQIQAE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261132;MM261132;CC(CCN)CC(O)CN;JRJWHYMFTWEYJU-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261133;MM261133;CC(CCO)CC(O)CN;JVRAQCQLQRVEQN-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261134;MM261134;CCCC(C)CC(O)CO;HQDUPXREPYCQCS-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261135;MM261135;CC(CCO)CC(O)CO;ASIVSHMOKCMYPA-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261136;MM261136;CCC(F)CC(C)CCN;PLQKZLYHVZYICO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261137;MM261137;C=CC(C=C(C)CO)=NN;VLWWRSPLAUCGSB-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261138;MM261138;CCC(F)CC(C)CCF;HBFQJKLMAIEUCP-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261139;MM261139;CC(CCF)CC(F)CN;RVWIIOCQROFWFW-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261140;MM261140;CCCC(N)CC(C)CC;PNHBLQZXNKWLMP-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261141;MM261141;CCCC(N)CC(C)CN;DPYFCOLGJVBTCN-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261142;MM261142;CCCC(N)CC(C)CO;ZOZCEUIGLDERDL-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261143;MM261143;CCCC(N)CC(C)CF;NEGAFBGIBMJHDP-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261144;MM261144;CC(CF)CC(N)CCO;LZZQCHGGJTVXJP-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261145;MM261145;CC(CF)CC(N)CCF;NMJLUZFXGFDAJK-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261146;MM261146;CCCC(N)CC(N)CC;GAJIJQSBPQDOSM-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261147;MM261147;CCC(N)CC(N)CCO;VPJMZVYADILZEC-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261148;MM261148;CCCC(N)CC(N)CN;FYFBRCQWZXTYJO-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261149;MM261149;CCCC(N)CC(N)CO;GAYXCLUIZUGBMR-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261150;MM261150;NCCC(N)CC(N)CO;FHUAOOUWTJODJE-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261151;MM261151;NC(CF)CC(N)CCF;LFAGPARWLBFYMF-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261152;MM261152;CCC(O)CC(N)CCO;RSKAKSMEYXNRKB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261153;MM261153;CCCC(N)CC(O)CN;DNIWZHMGYBESBT-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261154;MM261154;NCCC(N)CC(O)CN;GLOFTZZXXDUKGT-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261155;MM261155;NCC(O)CC(N)CCF;CAQFYEICJALGOI-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261156;MM261156;CCCC(N)CC(O)CO;CDPVGDPFNVRTGE-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261157;MM261157;NC(CCO)CC(O)CO;FXVHOXMCIJGDDO-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261158;MM261158;CCCC(N)CC(O)CF;IXZKKSKXKSEWCV-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261159;MM261159;NC(CCF)CC(O)CF;BJLROAFORRDQCW-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261160;MM261160;CCCC(N)CC(F)CC;OCJHXPZDZYURSS-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261161;MM261161;CCC(F)CC(N)CCN;KUVYNEFMFORGRD-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261162;MM261162;CCC(F)CC(N)CCF;XHYUFCUVQBADJM-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261163;MM261163;NCC(F)CC(N)CCF;CCBQOTUDCLFCAM-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261164;MM261164;NCCC(N)CC(F)CO;TUHPOLFVKXFYQK-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261165;MM261165;NC(CCF)CC(F)CO;GKQFCXAMXHIACS-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261166;MM261166;CCCC(N)CC(F)CF;ABQXZIIKTIPPSQ-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261167;MM261167;NCCC(N)CC(F)CF;ZGNAKIFPBFEULU-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261168;MM261168;C#CC(C=C(C)CO)=NN;PWHFYRPXDOZYGQ-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261169;MM261169;CCCC(O)CC(C)CN;YPEMQSQOIXTKHZ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261170;MM261170;CC(CN)CC(O)CCN;VTDKBKVURWPHAR-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261171;MM261171;CCCC(O)CC(C)CO;AHACCVCMRSHWPX-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261172;MM261172;CC(CO)CC(O)CCN;KBTIJASUHSSWPZ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261173;MM261173;CCCC(O)CC(C)CF;BRXRMHJWLRGRRB-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261174;MM261174;CC(CF)CC(O)CCO;GMJLIUSIPLDQLO-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261175;MM261175;CCCC(O)CC(N)CC;RQQZDMMMZZUTAO-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261176;MM261176;CCC(N)CC(O)CCF;TVNIVXXJSGKNIS-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261177;MM261177;CCCC(O)CC(N)CN;BDVJMJPNNPHCGS-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261178;MM261178;CCCC(O)CC(N)CO;PKNBBJGLUYEASV-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261179;MM261179;NCCC(O)CC(N)CO;IAWLPEWGJLTLHO-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261180;MM261180;NC(CO)CC(O)CCO;FYIUPIOXPHPGMA-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261181;MM261181;NCCC(O)CC(N)CF;AIYDWFZYALUCHQ-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261182;MM261182;CCCC(O)CC(O)CC;WYNVIVRXHYGNRT-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261183;MM261183;CCCC(O)CC(O)CN;JDSCCFPHVFCFHB-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261184;MM261184;NCC(O)CC(O)CCO;KOMPNEDIIDCYDC-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261185;MM261185;CCCC(O)CC(O)CO;YCCMFJOOYZBMME-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261186;MM261186;NCCC(O)CC(O)CO;LHJZAVYVQXLWJP-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261187;MM261187;CCCC(O)CC(O)CF;OAAWXBKGPSTRGC-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261188;MM261188;OC(CF)CC(O)CCF;MGRNOPRCEOYVKK-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261189;MM261189;CCCC(O)CC(F)CC;YQGZRKRVWQDIRF-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261190;MM261190;CCC(F)CC(O)CCF;IHPDOQKTOCBZHL-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261191;MM261191;NCC(F)CC(O)CCO;BWANQCCILQKSFG-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261192;MM261192;CCCC(O)CC(F)CO;HFLPKCNRPTUGJJ-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261193;MM261193;CCC(C)CC(F)CCO;WGZMAECMQPMOKZ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261194;MM261194;CCC(C)CC(F)CCF;GQDHBPDHULIQOA-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261195;MM261195;CCCC(F)CC(C)CN;HGIOMVFEQHIVGB-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261196;MM261196;CC(CN)CC(F)CCF;JCGAUNCLWSHDOA-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261197;MM261197;CCCC(F)CC(C)CO;DEEBFIZBDCCLFP-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261198;MM261198;CC(CO)CC(F)CCF;WEWPGPHJEZRCMZ-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261199;MM261199;CCCC(F)CC(C)CF;OAZSQFXXWIPRFT-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261200;MM261200;CCCC(F)CC(N)CC;XSWGPDONPKIJJP-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261201;MM261201;CCC(N)CC(F)CCF;MDEWUEFWDFKPEE-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261202;MM261202;NCC(N)CC(F)CCF;CSNLLCHYKZZMCD-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261203;MM261203;NC(CO)CC(F)CCF;KCZBMEIFIGSWGT-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261204;MM261204;CCCC(F)CC(N)CF;KBPCIBGGOCNLAY-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261205;MM261205;NCCC(F)CC(N)CF;IDMUFAKKYXDURT-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261206;MM261206;CCCC(F)CC(O)CC;IZJHUAAEWYYLMB-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261207;MM261207;CCC(O)CC(F)CCF;WYVOEBLZVPYKJX-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261208;MM261208;NCCC(F)CC(O)CN;SPNCCICVURLXHA-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261209;MM261209;CCCC(F)CC(O)CO;IFTGDAWCULIWTH-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261210;MM261210;OCCC(F)CC(O)CF;SYVLPIMPVYHGFP-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261211;MM261211;CCCC(F)CC(F)CC;OASBVUNNEQFHQS-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261212;MM261212;CCC(F)CC(F)CCN;IWCQMGZUUMDBMW-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261213;MM261213;CCC(F)CC(F)CCF;SQSJZKCHOQOODM-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261214;MM261214;CCCC(F)CC(F)CN;QETGVYVLRPZUEU-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261215;MM261215;NCCC(F)CC(F)CN;DNFWAKYQCANVIH-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261216;MM261216;OCCC(F)CC(F)CO;YYUQUFSOKFJQMF-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261217;MM261217;FCCC(F)CC(F)CF;SQNWPNLVNSAZIF-UHFFFAOYSA-N;158.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261218;MM261218;CNCC(C)CC(C)CN;UUQWOXNWEGCDJX-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261219;MM261219;CNCC(C)CC(C)CO;KCJXDOZQPVXSNU-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261220;MM261220;CNCC(C)CC(C)CF;RPPOJRFVCDNBNK-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261221;MM261221;CCC(N)CC(C)CNC;WNZDOKICTSNZGK-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261222;MM261222;CCC(F)CC(C)CNC;AOCZXIHBOUITDN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261223;MM261223;CNCC(C)CC(F)CN;DHCPNTFQJVRHIP-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261224;MM261224;CNCC(C)CC(F)CF;FFIZNKCZNKYKRE-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261225;MM261225;CCC(F)CC(N)CNC;BCDCWGLQGIAACI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261226;MM261226;CNCC(O)CC(C)CO;UWZRNDJQOUCFOC-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261227;MM261227;CNCC(O)CC(N)CF;PRJGHTRNZBINTR-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261228;MM261228;CCC(O)CC(O)CNC;RRYOZXUPLYDTQX-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261229;MM261229;CNCC(O)CC(O)CO;FEQUNHMOVOECFB-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261230;MM261230;CNCC(O)CC(O)CF;DNFCLHYVWLLVLR-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261231;MM261231;CNCC(O)CC(F)CN;WLHQGKSZZCUXSS-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261232;MM261232;CNCC(F)CC(O)CN;OSWYJOBTTVDRIB-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261233;MM261233;CCC(F)CC(F)CNC;ZLQCONORZJBMFM-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261234;MM261234;COCC(C)CC(N)CN;QGLDGRUPXWIVSY-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261235;MM261235;COCC(C)CC(O)CN;QFTOIRRTMMRFMA-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261236;MM261236;COCC(C)CC(O)CO;RIMPRQDKVVMUGP-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261237;MM261237;COCC(N)CC(C)CN;QDEOSSIIDDAEFF-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261238;MM261238;COCC(N)CC(N)CO;JYUYFUSJRVBCMM-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261239;MM261239;CCC(O)CC(N)COC;NKXIHLXIBVPUNY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261240;MM261240;COCC(N)CC(O)CO;RDIPORVXLJAWEM-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261241;MM261241;COCC(N)CC(F)CO;FCYCPJASVLUSKN-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261242;MM261242;COCC(N)CC(F)CF;QEKNVHXXZPFXMF-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261243;MM261243;CCC(N)CC(O)COC;WEVXUHOZOBTRKS-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261244;MM261244;COCC(O)CC(N)CN;QQYKTKKJFLIXDN-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261245;MM261245;COCC(O)CC(O)CN;OHNQQPIZZTWLEZ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261246;MM261246;COCC(O)CC(O)CO;LCKAYSRVPUXJRJ-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261247;MM261247;COCC(O)CC(F)CN;WJMNYHVKJHDAMY-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261248;MM261248;CCC(N)CC(F)COC;VDYLZVCCBMXWOW-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261249;MM261249;CCC(F)CC(F)COC;FZGDSQXGBDRRLX-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261250;MM261250;CCCC(C)CC(C)NC;MJLVRCDNTBVUHN-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261251;MM261251;CNC(C)CC(C)CCN;BISNYFPZMRFYGY-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261252;MM261252;CNC(C)CC(C)CCO;JTBMUQFSDOODAK-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261253;MM261253;CNC(C)CC(C)CCF;XOTQSVXANQDGCR-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261254;MM261254;CCCC(N)CC(C)NC;IHAQSEZMWHWLFV-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261255;MM261255;CNC(C)CC(N)CCN;BRKIRARUUWQLKV-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261256;MM261256;CNC(C)CC(N)CCF;NFCXHYOLLBUFBH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261257;MM261257;CNC(C)CC(F)CCN;AVQBQBMJGOOZBI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261258;MM261258;CNC(C)CC(F)CCF;GUXXJUISWCBHKQ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261259;MM261259;CNCC(F)CC(C)NC;JPAQQGLBUTXILX-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261260;MM261260;CNC(C)CC(N)COC;DVHNIVUCZRUZED-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261261;MM261261;CNC(C)CC(O)COC;KACKKSCSCGXPDC-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261262;MM261262;CNC(C)CC(F)COC;IURRJYLESOTQIZ-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261263;MM261263;CCCC(C)CC(C)OC;KQIFBZJORWRZTP-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261264;MM261264;COC(C)CC(C)CCN;VMBPPODWPCBWBR-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261265;MM261265;COC(C)CC(N)CCO;HXNGUQCEJSWHJZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261266;MM261266;COC(C)CC(F)CCO;BQECWCKXRXINDZ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261267;MM261267;COC(C)CC(F)CCF;FSRRVHPTPXDHTI-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261268;MM261268;CNCC(N)CC(C)OC;CMLPMJRSWLJWFZ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261269;MM261269;CNCC(F)CC(C)OC;REAHKOWMSBKHKU-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261270;MM261270;CCNC(C)CC(C)CN;IPCLJCJWKHKNKE-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261271;MM261271;CCNC(C)CC(C)CO;XMLLBMUGOZPVDI-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261272;MM261272;CCNC(C)CC(N)CC;OJZQURJZIOSRIM-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261273;MM261273;CCNC(C)CC(N)CO;PNJQUXPAWSKRBB-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261274;MM261274;CCNC(C)CC(O)CN;MVRXPLCETAENRD-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261275;MM261275;CCNC(C)CC(O)CO;LHAHSHQFBYLWBM-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261276;MM261276;CCNC(C)CC(C)OC;XJRUMMDTWBPIIB-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261277;MM261277;CCOC(C)CC(N)CN;CYJXKIRLHKVQIQ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261278;MM261278;CCOC(C)CC(O)CF;FYHZATWPFMBMQK-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261279;MM261279;CCOC(C)CC(C)OC;QYIGVLMDCWAMLE-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261280;MM261280;CCCC(C)NC(C)CC;USZXXLAOQXXWTH-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261281;MM261281;CC(CN)NC(C)CCF;ZBVQHYNMGXMEEE-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261282;MM261282;CCCC(C)NC(C)CO;NUIYINVICBDEFB-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261283;MM261283;CC(CO)NC(C)CCN;IWSRADLRRQVGGJ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261284;MM261284;CCCC(C)NC(C)CF;OMKZWDBPOWMYKE-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261285;MM261285;CC(CF)NC(C)CCF;MWXJENZPSFDORH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261286;MM261286;COCC(C)NC(C)CN;KCOQGRLLQSHWEI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261287;MM261287;CCCC(C)OC(C)CC;RQQHOCUNKATIDF-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261288;MM261288;CCC(C)OC(C)CCN;PPRODMMQYSOGNT-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261289;MM261289;CC(CO)OC(C)CCF;SMWLIEZBCYGGCQ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261290;MM261290;CCCC(C)OC(C)CF;QYNMVKYBXYIMQZ-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261291;MM261291;CNCC(C)OC(C)CN;MFSJZDWTKAYEMI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261292;MM261292;CCOC(C)OC(C)CF;BDWYKFRNAOOFQT-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261293;MM261293;CCOC(C)OC(C)OC;NXOWFBNIXZSNNF-UHFFFAOYSA-N;148.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261294;MM261294;CCCC(C)CN(C)CC;XHEKGDVTYCPZLB-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261295;MM261295;CCN(C)CC(C)CCN;HGIXEKRIIIDINK-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261296;MM261296;CCCC(N)CN(C)CC;UGJUADDZMMFFIA-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261297;MM261297;CCN(C)CC(O)CNC;HOSMMJJBGQBEQO-UHFFFAOYSA-N;146.23;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261298;MM261298;CCNC(C)CN(C)CC;YSRNBXQYUOOESY-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261299;MM261299;CCCN(C)CC(C)CC;KZADOINBMDTBMQ-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261300;MM261300;CCCN(C)CC(C)CF;FMLZJUVOERPMQH-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261301;MM261301;CC(CF)CN(C)CCO;FNPZXTYWPYHZLN-UHFFFAOYSA-N;149.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261302;MM261302;CCCN(C)CC(N)CN;BDLGSMCOMLFMKJ-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261303;MM261303;CN(CCO)CC(N)CN;FMPBIPQUUOQRKR-UHFFFAOYSA-N;147.22;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261304;MM261304;CN(CCN)CC(N)CO;TZEYKPRUUKIUPH-UHFFFAOYSA-N;147.22;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261305;MM261305;CN(CCO)CC(N)CO;ORZNQDVPWQVVKP-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261306;MM261306;CN(CCO)CC(N)CF;ZXYJPMPGAAXIOH-UHFFFAOYSA-N;150.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261307;MM261307;CCCN(C)CC(O)CC;CTMOARDSQFLKRU-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261308;MM261308;CCCN(C)CC(O)CN;VKCPHNPTCPWBSX-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261309;MM261309;CN(CCN)CC(O)CN;AYBMDCMVNHHVIU-UHFFFAOYSA-N;147.22;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261310;MM261310;CN(CCO)CC(O)CN;YVRGQPMXGQHXPQ-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261311;MM261311;CN(CCN)CC(O)CO;XKBXZUYIWPVEPE-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261312;MM261312;CCCN(C)CC(O)CF;GRBAUAHUYMFPMV-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261313;MM261313;CN(CCO)CC(O)CF;KPRFXLFMLBHGPF-UHFFFAOYSA-N;151.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261314;MM261314;CCCN(C)CC(F)CC;JKICYQXLKRZIQF-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261315;MM261315;CCCN(C)CC(F)CN;LOGOIAVJNRPLBR-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261316;MM261316;CN(CCO)CC(F)CN;ODDWQCXGFHAWJV-UHFFFAOYSA-N;150.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261317;MM261317;CC(CO)NC1(C#N)CC1;RZXVSABKBRUBTQ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261318;MM261318;CCCN(C)CC(C)NC;FUYSRBNGGAPDCQ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261319;MM261319;CCCN(C)CC(C)OC;WEEOBZAYCPVUPD-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261320;MM261320;C=CCC(C)CC(C)CC;BHSWQTVUWYFZQH-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261321;MM261321;CCC(C)CC(C)CC#N;QCQQDZQCZHYXBL-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261322;MM261322;C=CCC(C)CC(C)CN;VEDQFKJEFASUSE-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261323;MM261323;C#CC(C)C(=O)CON=C;UDDWWZLMPBMETL-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261324;MM261324;C=CCC(C)CC(C)CF;DUTVHPOSKYLMQJ-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261325;MM261325;C=CCC(C)CC(N)CC;NLJLQOOQBAGMGI-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261326;MM261326;C=CCC(C)CC(N)CN;RCEGDGQREURUHI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261327;MM261327;C=CCC(C)CC(N)CO;YSKDMCFKUDXDDA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261328;MM261328;C=CCC(C)CC(N)CF;MLPQGMOAQQQFQS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261329;MM261329;CNN=CC(C)=C(C)CO;JWHXXTALSVCIHY-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261330;MM261330;C=C(C=COC=NN)CO;NBUIMTHZQFHECE-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261331;MM261331;CC(CC=O)CC(O)CO;QCUNECFXTJISBV-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261332;MM261332;CC(CC=O)CC(O)CF;JKPBLYHZXZXVKT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261333;MM261333;C=CCC(C)CC(F)CN;SBHKSXNWCFXSLK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261334;MM261334;C=CCC(C)CC(F)CF;VDOYAUQAJUBJJP-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261335;MM261335;CC(CC=O)CC(F)CF;CMUYHQDMBVLSQS-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261336;MM261336;C=CCC(N)CC(C)CN;KFNIXCHUSQSCJE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261337;MM261337;C=CCC(N)CC(C)CO;ZGSMRWMTEKMADY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261338;MM261338;C=CCC(N)CC(C)CF;JTYDBXJKEWYUQS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261339;MM261339;C=CCC(N)CC(N)CC;HJEJELINQQUSJQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261340;MM261340;C=CCC(N)CC(N)CO;XCLJSTGIXHWCKT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261341;MM261341;C=CCC(N)CC(N)CF;GADKWTLIEFEMHC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261342;MM261342;C=CCC(N)CC(O)CN;KCVFSBTWRDDKDB-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261343;MM261343;C=CCC(N)CC(F)CC;MDEOTANYKVUMAB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261344;MM261344;C=CCC(N)CC(F)CN;XMFCMBOJUPPITC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261345;MM261345;C=CCC(N)CC(F)CF;SXHHPGNCHNBLQC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261346;MM261346;CCC(C)CC(O)CC#N;UNHOFLSJGHUSGZ-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261347;MM261347;C=CCC(O)CC(C)CN;LHXNEWKLNAPYFV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261348;MM261348;C=CCC(O)CC(C)CO;KITFDADBPLXFPR-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261349;MM261349;CC(CO)CC(O)CC=O;MZZGMGKUCWURRV-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261350;MM261350;C=CCC(O)CC(N)CN;OSQJGDMNCTYVIT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261351;MM261351;C=CCC(O)CC(N)CF;WGVKWRTZQDWRMF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261352;MM261352;CCC(O)CC(O)CC=O;YZSZJKKWGCQVJL-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261353;MM261353;C=CCC(O)CC(O)CO;JDLWOLSYKQUULO-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261354;MM261354;N#CCC(O)CC(O)CO;SOOMYOMAGLRIOZ-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261355;MM261355;O=CCC(O)CC(O)CF;LFJQWNXOVHLHRK-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261356;MM261356;N#CCC(O)CC(O)CF;IFDMWPPSXNRBCV-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261357;MM261357;CCC(F)CC(O)CC=O;AHOHBVFKHNLTHF-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261358;MM261358;N#CCC(O)CC(F)CO;BHYXLUIDNMWCDW-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261359;MM261359;O=CCC(O)CC(F)CF;JRKAICLYSFUBKG-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261360;MM261360;CCC(C)CC(F)CC#N;YEDSJSMRKUNWBV-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261361;MM261361;C=CCC(F)CC(C)CN;FEYCHBIARFTCOH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261362;MM261362;C=CCC(F)CC(C)CO;ZCXUPHZOASVMBM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261363;MM261363;CC(CO)CC(F)CC#N;CPMRGUHZDZIEHJ-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261364;MM261364;CC(CF)CC(F)CC=O;CTIJVHJWWOPZNW-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261365;MM261365;C=CCC(F)CC(N)CC;FRIGCSUWYDKMBV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261366;MM261366;C=CCC(F)CC(N)CN;YPDXYJNRKNEPER-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261367;MM261367;C=CCC(F)CC(O)CC;QWEDGZMBQSPAIM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261368;MM261368;CCC(O)CC(F)CC=O;ARXNMOKTQUJRFN-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261369;MM261369;CCC(O)CC(F)CC#N;WOVBPPOZRGPVMC-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261370;MM261370;C=CCC(F)CC(O)CF;ZYPFBGTYGJDYKR-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261371;MM261371;O=CCC(F)CC(O)CF;NQTLFZNLFHGRLB-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261372;MM261372;CCC(F)CC(F)CC=O;UTOGEHGJNOPTHY-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261373;MM261373;C=CCC(F)CC(F)CN;WJGOTRRRPPORCR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261374;MM261374;C=CCC(F)CC(F)CO;KSITUFVXPRGNBA-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261375;MM261375;O=CCC(F)CC(F)CO;YFQRORLVJMTMQA-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261376;MM261376;N#CCC(F)CC(F)CF;OHJHWSICPRVMJY-UHFFFAOYSA-N;151.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261377;MM261377;C=CCC(C)CC(C)NC;CLFQRZLOGOYANW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261378;MM261378;CNC(C)CC(C)CC=O;ZNTMKTJQYPFLBV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261379;MM261379;CNC(C)CC(C)CC#N;KHBCYJVHQNXCQO-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261380;MM261380;C=CCC(N)CC(C)NC;QZYBGEJGMLPOQD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261381;MM261381;C=CCC(O)CC(C)NC;IDHKJNIPRPNIAP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261382;MM261382;CNC(C)CC(O)CC#N;JHBMERIVNHEHPI-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261383;MM261383;C=CCC(F)CC(C)NC;HWHWOJQISDSOPR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261384;MM261384;C=CCC(C)CC(C)OC;ZOZROGNACYLNKX-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261385;MM261385;C=CCC(O)CC(C)OC;DYJMACZSMJUJLN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261386;MM261386;COC(C)CC(F)CC=O;LRKDVWPSCSMNNR-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261387;MM261387;COC(C)CC(F)CC#N;RQEVTDLZMXDFGQ-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261388;MM261388;CCC(C)CC(C)NC=N;ZVPPSQMAXZUMMI-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261389;MM261389;CC(CN)CC(C)NC=N;DWPUGVYBSBHKGT-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261390;MM261390;CC(CO)CC(C)NC=N;OFOJVBSAKGJMAZ-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261391;MM261391;CC(CO)CC(C)NC=O;ABTQMOUUNMWWTQ-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261392;MM261392;CC(CF)CC(C)NC=N;MQKLNBDXRXISRC-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261393;MM261393;CCC(N)CC(C)NC=O;XSBZACDUWKVYMJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261394;MM261394;CC(CC(N)CN)NC=N;KKBHYTLQVAWNAO-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261395;MM261395;CC(CC(N)CN)NC=O;VTFVOUVODDWLOE-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261396;MM261396;CCC(O)CC(C)NC=N;ZVKGHPUIYQPFEC-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261397;MM261397;CCC(F)CC(C)NC=N;OSWGBFGWNALFAE-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261398;MM261398;C=CC=C(CO)CC=NN;RGNSCPFXARTRBP-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261399;MM261399;C=NNC(C)CC(C)CC;BDHNBHOAJRKYDX-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261400;MM261400;C=NNC(C)CC(C)CN;BBCMOOPXUFVPMB-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261401;MM261401;CCCC(=CC=NN)CO;CYIFUBPGDLTNQA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261402;MM261402;C=NNC(C)CC(N)CC;KUCNXZVTDXAJBR-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261403;MM261403;C=NNC(C)CC(F)CF;UQOMYZARRVQKKX-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261404;MM261404;C=NNC(C)CC(C)NC;ZKJVVGFHYHXYRT-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261405;MM261405;C=NNC(C)CC(C)OC;YSCYMKRWAIZJBJ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261406;MM261406;CC(CN)CC(C)OC=O;FCCYVUTVZJEBJV-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261407;MM261407;C=COC(C)CC(C)CO;GEPNBIWVDRFRRU-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261408;MM261408;CC(CO)CC(C)OC=O;VLDWMTWEASOVQB-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261409;MM261409;C=COC(C)CC(C)CF;YAZARSZLNIWIKS-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261410;MM261410;CC(CF)CC(C)OC=O;PYBOLIYMKSENNL-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261411;MM261411;CCC(N)CC(C)OC=O;KRGAZWTWJWDNAG-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261412;MM261412;C=COC(C)CC(N)CN;XSCHKIJPINRMQX-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261413;MM261413;CC(CC(N)CN)OC=O;GVJWQEURLXIPFU-UHFFFAOYSA-N;146.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261414;MM261414;CC(CC(N)CO)OC=O;UADDXKQNVJFEEP-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261415;MM261415;C=COC(C)CC(N)CF;AKXXYWDIQOTQLE-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261416;MM261416;CC(CC(N)CF)OC=O;JKJNPCNKGWIWQH-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261417;MM261417;CCC(O)CC(C)OC=O;IGVFVADVELGAJF-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261418;MM261418;C=COC(C)CC(O)CN;DBTFOKLGUHSOAP-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261419;MM261419;CC(CC(F)CN)OC=O;CJXXVMWFNNRKHB-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261420;MM261420;CC(CC(F)CF)OC=O;SBNYJJPGOQKWFZ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261421;MM261421;C=NOC(C)CC(C)CC;AEGMGYFMGFRQQM-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261422;MM261422;C=NOC(C)CC(C)CF;GDKVTKFKFJBOTO-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261423;MM261423;C=NOC(C)CC(N)CC;BRVPGTDODKZZGQ-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261424;MM261424;C=NOC(C)CC(N)CN;MNYYULOODQRSJX-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261425;MM261425;C=NOC(C)CC(N)CO;PGLIFEAQFZYZCG-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261426;MM261426;C=NOC(C)CC(N)CF;ADDNNVXNTSSYDO-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261427;MM261427;CCC(=CC=NNC)CO;MOWFGKXAFQKHOE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261428;MM261428;C=NOC(C)CC(F)CN;VZUDIIMTTNOJOV-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261429;MM261429;C=NOC(C)CC(F)CF;VQOPXOFLLJURSK-UHFFFAOYSA-N;151.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261430;MM261430;CNC(C)CC(C)OC=O;RZSLLRZIDCSVIA-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261431;MM261431;C=NOC(C)CC(C)NC;ADEYYLVLXWHJOU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261432;MM261432;C=COC(C)CC(C)OC;URZUQZQMPXIEEB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261433;MM261433;COC(C)CC(C)OC=O;UGIYKZPOJAZCOV-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261434;MM261434;C=NOC(C)CC(C)OC;GTMIGYUZKRGMOB-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261435;MM261435;C=CCC(C)NC(C)CC;GNEQZDIMKOULEW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261436;MM261436;C=CCC(C)NC(C)CN;HUJAQJHFDJHVCP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261437;MM261437;C=CCC(C)NC(C)CF;RTZZQYVBSSJMBA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261438;MM261438;CC(CF)NC(C)CC=O;OUXNFVMCVGKJNB-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261439;MM261439;CCC(C)OC(C)CC#N;ORSFQYGYYKDHJX-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261440;MM261440;C=CCC(C)OC(C)OC;DOVUSZKBLNYHJH-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261441;MM261441;C=COC(C)OC(C)CO;VMHMGZVXYRHTHX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261442;MM261442;C=COC(C)OC(C)OC;CFVYNBMSFBDBFN-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261443;MM261443;CCN(C)CC(C)CC#N;XETLOIRORHZOIS-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261444;MM261444;C=CCC(N)CN(C)CC;JTNUXGLJVMQCQE-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261445;MM261445;C=CCC(O)CN(C)CC;GJHDSJWRGBTVTQ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261446;MM261446;CCN(C)CC(C)NC=N;XGJJGHMQSDHITK-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261447;MM261447;C=CCN(C)CC(C)CC;WFMSEEZULXETMS-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261448;MM261448;CCC(C)CN(C)CC#N;VXYPILVKBJJBJA-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261449;MM261449;CCC(=CC=NOC)CO;UUCWQNVNWCDCPZ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261450;MM261450;C=CCN(C)CC(C)CF;OXSIHPWUFPSTBY-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261451;MM261451;CN(CC(O)CO)NC=O;NYZOFWXFRSAIKB-UHFFFAOYSA-N;148.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261452;MM261452;CCC(F)CN(C)NC=N;NGSFNZPIASYZLZ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261453;MM261453;C#CCC(C)CC(C)CC;TZMJCWBUDYGDJP-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261454;MM261454;C#CCC(C)CC(C)CN;MGVCQIQWLCSQCI-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261455;MM261455;C#CCC(C)CC(N)CC;QIDVJWJYTKBJRP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261456;MM261456;CC=C(CO)CN1CC1C;WAKLGKPRLJCVEH-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261457;MM261457;C#CCC(C)CC(O)CN;BOMZKULKXHAUEP-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261458;MM261458;C#CCC(C)CC(O)CO;UHFJROWFSWKYKD-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261459;MM261459;C#CCC(C)CC(F)CC;WATNUSJEZCVCBA-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261460;MM261460;C#CCC(C)CC(F)CO;TZMZIJWVGMITJQ-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261461;MM261461;C#CCC(N)CC(C)CN;RZRUVKHFBNMNOM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261462;MM261462;C#CCC(N)CC(O)CO;WAWRVFWCWCVNHM-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261463;MM261463;C#CCC(O)CC(N)CC;BPWOJQHIDRTMKZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261464;MM261464;C#CCC(O)CC(N)CN;DGORCFPSJGXZPE-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261465;MM261465;C#CCC(O)CC(N)CF;BVHLPOCQACPEDJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261466;MM261466;C#CCC(O)CC(O)CO;ADPGZBZSDXOEDJ-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261467;MM261467;C#CCC(O)CC(F)CN;WFLXBUVLQJNXED-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261468;MM261468;C#CCC(O)CC(F)CF;SXFBVFSVAMROIV-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261469;MM261469;C#CCC(F)CC(C)CN;AWAYUNANJVOHOM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261470;MM261470;C#CCC(F)CC(C)CF;AOMHJAOUSCABPO-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261471;MM261471;C#CCC(F)CC(N)CC;JBQCQFWPSDTABN-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261472;MM261472;C#CCC(F)CC(O)CC;ZUJFWQSFXZZOPS-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261473;MM261473;C#CCC(F)CC(F)CC;DGSUBYOAQLBDRB-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261474;MM261474;C#CCC(C)CC(C)NC;QINZHQBKSHKLGZ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261475;MM261475;C#CCC(O)CC(C)NC;CTWIMAJQUSZURQ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261476;MM261476;C#CCC(F)CC(C)NC;VZOJSDQPXYUOJO-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261477;MM261477;C#CCC(C)CC(C)OC;YDBXYOYMCTZMMU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261478;MM261478;C#CCC(N)CC(C)OC;MFJJOTBTYKEXHR-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261479;MM261479;C#CCC(O)CC(C)OC;CXNKZRZELSVEKD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261480;MM261480;C#CCC(C)NC(C)CC;VIPSPHCXLAQKPG-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261481;MM261481;C#CCC(C)NC(C)CF;SVUYPAOBRRULON-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261482;MM261482;C#CCC(C)OC(C)CO;KZYDKWWHBQLILM-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261483;MM261483;C#CCC(C)OC(C)OC;AJBDTMHBSQUWRX-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261484;MM261484;C#CCC(C)CN(C)CC;OPVZVQRHBKEMFQ-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261485;MM261485;C#CCN(C)CC(C)CC;ILJNSUKJOUAGMP-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261486;MM261486;C#CCN(C)CC(C)CN;YJUZFRIAKHCIJA-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261487;MM261487;C#CCN(C)CC(C)CF;RLOUGIDCRBDHMZ-UHFFFAOYSA-N;143.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261488;MM261488;C#CCN(C)CC(N)CO;YYSGMRDWVVXQMP-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261489;MM261489;C#CCN(C)CC(N)CF;PWKANJYOLJWILW-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261490;MM261490;C#CCN(C)CC(C)NC;QZCUPHXXBJJOKN-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261491;MM261491;C=CC(C)CC(C)CCC;QWYZWVSIGZRNKQ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261492;MM261492;CCCC(C)CC(C)C=O;OSRWYVAHHIGPEA-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261493;MM261493;C=CC(N)CC(C)CCC;PKHJBLQENPIMDE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261494;MM261494;C=CC(N)CC(C)CCO;JZUXTGAZIPHQFY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261495;MM261495;C=CC(N)CC(C)CCF;UUHZQFVIPADYOF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261496;MM261496;C=CC(O)CC(C)CCN;GPAHAJMKJSEORC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261497;MM261497;C=NN=C1C=C(NC)NC1;YNYYQJQCEPNFBH-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261498;MM261498;CCCC(C)CC(O)C=O;IPLMAYLUVIISRC-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261499;MM261499;CC(CCO)CC(O)C=O;XXTUGRXGVXRDSR-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261500;MM261500;CC(CCF)CC(O)C#N;LMRSTFSUUZAVLA-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261501;MM261501;C=CC(C)CC(N)CCC;HHOMKNYQVKXNNB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261502;MM261502;C=CC(C)CC(N)CCF;NULFIDIPFCRAGY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261503;MM261503;C=CC(N)CC(N)CCC;ANRBMAHYMIPDRI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261504;MM261504;C=CC(N)CC(N)CCN;IJNONFZAJRVKIX-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261505;MM261505;C=CC(O)CC(N)CCC;MPJODAYVSLOVDE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261506;MM261506;C=CC(F)CC(N)CCC;GDHFAEUFRVVBSZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261507;MM261507;C=COc1cc(NC)on1;GXDHCDXBHVUOLC-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261508;MM261508;C=CC(C)CC(O)CCO;XUQXTRKLMJRTOR-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261509;MM261509;C=CC(N)CC(O)CCC;GCWNHJMKUGUZEG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261510;MM261510;C=CC(O)CC(O)CCO;CLFKUSKVXQSJIL-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261511;MM261511;CCCC(O)CC(O)C=O;JHMVYIVZWQBDSY-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261512;MM261512;O=CC(O)CC(O)CCO;BAHLSDBISJVHNS-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261513;MM261513;N#CC(O)CC(O)CCO;DBWNGFPVOMZWRU-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261514;MM261514;C=CC(F)CC(O)CCN;ZZKAKLQDUBONIR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261515;MM261515;N#CC(F)CC(O)CCO;HVOWDNKNENZKDC-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261516;MM261516;C=CC(C)CC(F)CCF;LCNIMUVCCHMDFB-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261517;MM261517;CC(C=O)CC(F)CCF;ZYRQKPRRYANGPS-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261518;MM261518;C=CC(N)CC(F)CCC;DXEXDKCINZKMQE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261519;MM261519;CCCC(F)CC(O)C#N;TWRPQRBSZRICNL-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261520;MM261520;O=CC(O)CC(F)CCF;YXNVPTFGRHCXSG-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261521;MM261521;N#CC(O)CC(F)CCF;LVMCRLOASINVSV-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261522;MM261522;C=CC(F)CC(F)CCC;MHADRYZJKSFQGU-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261523;MM261523;C=CC(F)CC(F)CCN;UFSPQVMDLUMPDQ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261524;MM261524;C=CC(F)CC(F)CCF;YOXCCFGPXIGMEN-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261525;MM261525;N#CC(F)CC(F)CCF;TUAIIZNDHKLPMK-UHFFFAOYSA-N;151.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261526;MM261526;CNCC(C)CC(O)C=O;AVCDRLQUPYYRJE-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261527;MM261527;C=CC(F)CC(C)CNC;UPYZEEFLYYBKNQ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261528;MM261528;CNCC(O)CC(O)C#N;ALODQTDCRIKIDX-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261529;MM261529;CNCC(O)CC(F)C=O;KUUIPYKYIGRFBJ-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261530;MM261530;CNCC(O)CC(F)C#N;NRNVTUJVAOHVAK-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261531;MM261531;C=CC(C)CC(F)CNC;CUBKBSWXXZEZKA-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261532;MM261532;CNCC(F)CC(C)C#N;BNIMTQVVDOAGTC-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261533;MM261533;C=CC(F)CC(F)CNC;XDSJJCQSIIIDKP-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261534;MM261534;C=CC(O)CC(N)COC;LUAHIMDVGLLRQX-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261535;MM261535;COCC(O)CC(C)C=O;RCUZZZKFMUFOLW-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261536;MM261536;C=CC(N)CC(O)COC;CNPYBZHMZBNUKP-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261537;MM261537;COCC(O)CC(O)C=O;JFMVNWFXDGBXBK-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261538;MM261538;C=CC(N)CC(F)COC;IYFSRMNLORORQJ-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261539;MM261539;COCC(F)CC(F)C=O;GDWNQWBVAZNJJK-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261540;MM261540;C=CC(N)CC(C)NCC;MOTHFKVZMQUVNI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261541;MM261541;C=CC(C)CC(C)OCC;RBDVYHNQUXKYJI-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261542;MM261542;CCOC(C)CC(C)C=O;QZGNXXDWDDUJTN-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261543;MM261543;C=CC(N)CC(C)OCC;JQRSMDNIPNDWRO-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261544;MM261544;CCOC(C)CC(O)C#N;VMOXBFTZVYWPRF-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261545;MM261545;C=CC(C)NC(C)CCC;KRPWWLWJMOUHDO-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261546;MM261546;CCCC(C)NC(C)C#N;PIFNWCASAAOVOQ-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261547;MM261547;C=C(CO)C(=C)CN1CC1;WKIJSLDMKBQCOJ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261548;MM261548;C=CC(C)NC(C)CNC;PGEVFHKVMFGUFI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261549;MM261549;CNCC(C)NC(C)C#N;PJTSVOKNTUINEB-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261550;MM261550;C=CC(C)OC(C)CCC;UVNUOMYIEFJZHS-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261551;MM261551;C=CC(C)OC(C)CCN;IJIPXCXJFZEQIV-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261552;MM261552;CC(C=O)OC(C)CCO;GOISOALXALNHOZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261553;MM261553;CC(C=O)OC(C)CCF;LVHRHBKCEMTDAJ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261554;MM261554;CC(C#N)OC(C)CCF;ITNARUVESQZFMZ-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261555;MM261555;CCOC(C)OC(C)C=O;PTTZREOPIFGPAT-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261556;MM261556;CCOC(C)OC(C)C#N;QCIGZEVBUMNSPE-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261557;MM261557;CCCC(C)CN(C)C=N;UXXGQHVLYCTMJJ-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261558;MM261558;CC(CCN)CN(C)C=N;GWZAAQJCFBLLGQ-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261559;MM261559;CC(CCO)CN(C)C=N;CISURAGLZYEOCB-UHFFFAOYSA-N;144.22;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261560;MM261560;CC(CCF)CN(C)C=N;QCJASLFDBQOBJB-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261561;MM261561;CC(CCN)CN(C)C=O;ZTWQUKCVYJMNIG-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261562;MM261562;C#Cc1n[nH]c(C#N)c1N;UNJSQTQBRJUZLF-UHFFFAOYSA-N;132.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261563;MM261563;CC(CCF)CN(C)C=O;RVPMITMXBPTNJG-UHFFFAOYSA-N;147.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261564;MM261564;CCCC(C)CN(N)C=N;ZIRIWSTWOOELEV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261565;MM261565;CCCC(C)CN(N)C=O;GGXNRFJCFUDBMP-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261566;MM261566;CC(CCO)CN(O)C=N;OVMJKLCFLOLAEN-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261567;MM261567;CCCC(C)CN(O)C=O;BAGZQUOQHFJHGV-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261568;MM261568;CN(C=N)CC(N)CCF;MWEXFSMUUKBOKA-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261569;MM261569;CCCC(N)CN(C)C=O;PIPDYSJGXPYSEC-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261570;MM261570;N=CN(O)CC(N)CCF;RZGLNEGFDFPJCT-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261571;MM261571;CN(C=N)CC(O)CCN;SCPSVHQMKDESGU-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261572;MM261572;CCCC(O)CN(C)C=O;SBVCKSCBHUPZKQ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261573;MM261573;CN(C=O)CC(O)CCN;BMURYYGYSMIYMF-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261574;MM261574;CCCC(O)CN(N)C=N;OISNWZFXDMPVRQ-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261575;MM261575;C=C(CO)C1C(CC)N1C;HIQYDTSOUZHWEL-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261576;MM261576;C=C(CO)C1C(C)N1CC;RUDDONNYXYNVJL-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261577;MM261577;CCCC(F)CN(C)C=N;CXZMMFUHCWDGJJ-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261578;MM261578;CCCC(F)CN(C)C=O;DLKJYJVZUYJEOU-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261579;MM261579;CCCC(F)CN(N)C=N;VEPYQLYEJIQVGL-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261580;MM261580;CNCC(C)CN(C)C=N;VUHIFZJYECPMNR-UHFFFAOYSA-N;143.23;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261581;MM261581;CNCC(C)CN(C)C=O;BNLAVZFDUSVWLN-UHFFFAOYSA-N;144.22;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261582;MM261582;CNCC(O)CN(C)C=O;ZOOKYOCQKNXHDL-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261583;MM261583;CNCC(O)CN(N)C=O;UVJWSCNJJSXKCI-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261584;MM261584;COCC(C)CN(C)C=O;JSDZIEBENKBXFI-UHFFFAOYSA-N;145.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261585;MM261585;COCC(C)CN(O)C=N;HRVIUZRYEYXZEV-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261586;MM261586;COCC(C)CN(O)C=O;KLEAAVJTBZAHPE-UHFFFAOYSA-N;147.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261587;MM261587;COCC(O)CN(C)C=N;ZEJCLLHCGAKFMK-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261588;MM261588;COCC(O)CN(C)C=O;UDSBBLVVHMGBEG-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261589;MM261589;C=C(CO)C1C(C=O)N1C;YBOAUNWXPITNAU-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261590;MM261590;COCC(F)CN(C)C=O;OAHPZTOUUTZVOF-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261591;MM261591;C=NN(C)CC(C)CCN;KZBXPZAUHDGYQF-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261592;MM261592;C=NN(C)CC(C)CCF;CKOFTZGOJLGPEN-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261593;MM261593;C=NN(C)CC(N)CCF;UURZXNDISJGLNC-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261594;MM261594;C=NN(C)CC(O)CCN;AWRHVROTGXAFNV-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261595;MM261595;C=NN(C)CC(F)CCC;QQWHMVFTPDRGFO-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261596;MM261596;C=NN(C)CC(O)CNC;YGTLLRNGKMXZOX-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261597;MM261597;C=NN(C)CC(N)COC;SXGHWWUNTBEBNZ-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261598;MM261598;CCNC(C)CN(N)C=O;QBIYHVUGMGDTEK-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261599;MM261599;CCOC(C)CN(C)C=O;ZUGHKIJBFCQJSC-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261600;MM261600;CCCC(C)NN(C)C=O;QHIMWNLUOZKBND-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261601;MM261601;CC(CCN)NN(C)C=O;YIWQLDBIBHGPSO-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261602;MM261602;CNCC(C)NN(C)C=O;DQLHBYIKBICJNM-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261603;MM261603;CCCC(C)ON(C)C=N;GZALIZVDRPCWPW-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261604;MM261604;CC(CCO)ON(C)C=N;DCSLVMZISNGQDR-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261605;MM261605;CC(CCN)ON(C)C=O;NSOKXQFAKLWIBA-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261606;MM261606;CC(CCF)ON(C)C=O;UZBHETXJZUCFKN-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261607;MM261607;COCC(C)ON(C)C=N;UVKLSHBSIDLYFA-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261608;MM261608;C=CC(C)CN(C)CCC;XWFLJBLCZZQVBN-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261609;MM261609;C=CC(N)CN(C)CCO;LGSPHIDCBOGCAS-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261610;MM261610;C=CC(O)CN(C)CCC;BAOGJSGYUJFDGW-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261611;MM261611;C=CC(F)CN(C)CCN;JIDVEQPNNWBZJB-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261612;MM261612;C=CCC(C)CC(C)C=C;VGTATGVAAOIEQC-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261613;MM261613;C=CC(C)CC(C)CC=O;RIOBICGOGWJBQA-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261614;MM261614;C=CC(C)CC(C)CC#N;KKAAMKCCZQKSHC-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261615;MM261615;C=CCC(C)CC(C)C=O;YJNFRFJGSBNUID-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261616;MM261616;C=CCC(C)CC(C)C#N;SIMAFTKWVGVRAN-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261617;MM261617;CC(C=O)CC(C)CC=O;IKCBDKWMBKZTEA-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261618;MM261618;CC(C=O)CC(C)CC#N;ATTAASGIUPNWGE-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261619;MM261619;C=CCC(C)CC(N)C=C;WXECMTHZHZYTOB-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261620;MM261620;C=C(CO)C1C(C#N)N1C;XIJXNKJWXSWPAK-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261621;MM261621;C=NN1C(C)C1C(=C)CO;WPUNPKLBONNEIM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261622;MM261622;C=CCC(C)CC(O)C#N;WTQNDFQTYYSPKA-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261623;MM261623;CC(CC=O)CC(O)C=O;KETWEGHRDXUIJL-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261624;MM261624;CC(CC#N)CC(O)C=O;ZDBCPFCNCXVFEI-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261625;MM261625;CC(CC=O)CC(O)C#N;VBALDEGNKZIKLG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261626;MM261626;C=CCC(C)CC(F)C=C;XJRTUHFOKBPNHJ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261627;MM261627;C=CC(F)CC(C)CC#N;UCYRUFGFPRBDCX-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261628;MM261628;C=CCC(C)CC(F)C#N;ZWPFWOQNNBNUAH-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261629;MM261629;CC(CC=O)CC(F)C#N;JWSOKMQICOJHRZ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261630;MM261630;C=CCC(N)CC(C)C=C;ZAPLTAJOVRSGCZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261631;MM261631;C=CC(O)CC(O)CC=O;IBZGSFRILNDGJX-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261632;MM261632;N#CCC(O)CC(O)C=O;MTGVZJRKMPRGPO-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261633;MM261633;N#CC(O)CC(O)CC=O;CDMIYPNFXNHCPM-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261634;MM261634;N#CCC(O)CC(O)C#N;RZLLLULRCHYRRY-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261635;MM261635;C=CC(F)CC(O)CC=O;RFMNZGDTERNAPT-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261636;MM261636;N#CCC(O)CC(F)C#N;DFGYAOVVOZXWIT-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261637;MM261637;C=CC(C)CC(F)CC=O;FCKCOPHUQXIRJU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261638;MM261638;C=CC(C)CC(F)CC#N;YGXGVHBHMPEVSA-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261639;MM261639;C=CCC(F)CC(C)C=O;PBZJTDXLMLOZHN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261640;MM261640;C=CCC(F)CC(C)C#N;PTELZILHDJKBIA-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261641;MM261641;CC(C=O)CC(F)CC#N;PJLVJFBCSVGHQW-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261642;MM261642;C=CCC(F)CC(N)C=C;KFSUMVJEIMELOU-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261643;MM261643;C=CC(O)CC(F)CC=O;VFBGNEXVMXUFHP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261644;MM261644;C=CCC(F)CC(O)C#N;XXBFKPCQMYRQMI-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261645;MM261645;N#CCC(F)CC(O)C#N;UNIIERBSIQHUFX-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261646;MM261646;C=CCC(F)CC(F)C=C;FUFVUXAHNLHMAD-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261647;MM261647;C=CC(F)CC(F)CC=O;RQBNIRYPIKDADW-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261648;MM261648;C=CC(F)CC(F)CC#N;YKPMMPPCGGLVCY-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261649;MM261649;C=CCC(F)CC(F)C=O;HTOYZRHRCYOWJX-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261650;MM261650;C=CCC(F)CC(F)C#N;NEBIFZVVNMKXIY-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261651;MM261651;C=CC(C)CC(C)NC=N;UCPODFBLEPQEKV-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261652;MM261652;C#CC1C(C(=C)CO)N1C;YFFABAUVHAVVPN-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261653;MM261653;C=CC(N)CC(C)NC=N;PZXDXDZWOQAXIT-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261654;MM261654;C=C(CO)C1CN1CC#N;USNGYZWKIPIHCW-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261655;MM261655;C#CCC1NC1C(=C)CO;XFSDTALGGKGMRB-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261656;MM261656;C=CC(F)CC(C)NN=C;KTEGBAGPQQYVKS-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261657;MM261657;C=COC(C)CC(C)C=C;UGHZSGFLZGDZMD-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261658;MM261658;C=CC(C)CC(C)OC=O;XUVCLDPSLOGTTM-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261659;MM261659;C=COC(C)CC(C)C=O;YKQHAFQQEVFNIA-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261660;MM261660;CC(C=O)CC(C)OC=O;CNKMIZOAOPKGQO-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261661;MM261661;C=CC(O)CC(C)OC=O;VAIDFKWUARQTFM-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261662;MM261662;C=COC(C)CC(O)C#N;PJAGVXQVHYYBFR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261663;MM261663;CC(CC(O)C#N)OC=O;UHFFGXOCMMHPEO-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261664;MM261664;CC(CC(F)C=O)OC=O;KEFZBUYQPLHLMZ-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261665;MM261665;C=C(CO)C1CN1N=CC;MLGMIBPRTDEUMB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261666;MM261666;C=CC(N)CC(C)ON=C;OTLMMEOYFCFPLV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261667;MM261667;C=C(CO)C1NC1C#CC;MYDMQQQDICOPTL-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261668;MM261668;NNc1ccc(CO)cc1;BBJOGQWGYPHPCA-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261669;MM261669;N=CN(N)C(N)=O;CAQOOMSDOUQQAO-UHFFFAOYSA-N;102.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261670;MM261670;C=NOC(C)CC(F)C#N;OXWPQMVZKNFPHB-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261671;MM261671;C=CCC(C)NC(C)C=C;VIEYWWZUFPDWIA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261672;MM261672;C=CCC(C)NC(C)C=O;FTEJSOMWPPZNRO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261673;MM261673;C=CCC(C)NC(C)C#N;VBUDIWSTVAXHID-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261674;MM261674;CC(C#N)NC(C)CC#N;AKNGXHMHFZLLED-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261675;MM261675;C=CCC(C)OC(C)C=O;SVLHOTPCEGHBHB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261676;MM261676;C=COC(C)OC(C)C=O;LHJAGFQWCYKYSI-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261677;MM261677;Nc1cc(CF)[nH]n1;FEJNOGLNVGUDHY-UHFFFAOYSA-N;115.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261678;MM261678;C=NOC(C)OC(C)C#N;NEWCDSDEZWRCHW-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261679;MM261679;C=CCC(C)CN(C)C=N;KZUFFXUPJQVUQK-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261680;MM261680;C=CCC(C)CN(C)C=O;UTXBQESVARUMHF-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261681;MM261681;C=C(CO)CN1CC1;JPAYPPPIIXULKF-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261682;MM261682;C=CCC(C)CN(N)C=N;KOYYHMVCTDWKNP-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261683;MM261683;C=CCC(C)CN(N)C=O;NYBFNZGONKKTMO-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261684;MM261684;C=CCC(C)CN(O)C=O;BRZBPYJFEOMAPQ-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261685;MM261685;CC(CC=O)CN(O)C=O;IOXJIRMMELRYLG-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261686;MM261686;C=CCC(N)CN(C)C=N;AWIOSZCXIAWBTE-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261687;MM261687;CN(C=O)CC(O)CC#N;SKZLFVCTXHJNEB-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261688;MM261688;OCCNN=CNO;NBVVHNLEZVERAG-UHFFFAOYSA-N;119.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261689;MM261689;C=CCC(F)CN(C)C=N;PDDYKGCIUSXDHR-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261690;MM261690;C=CCC(F)CN(C)C=O;VDIWKQPLWRCFIY-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261691;MM261691;CN(C=O)CC(F)CC=O;KJBFFKWRMIVLBW-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261692;MM261692;C=CCC(C)CN(C)N=C;PPLNBNWANCCSFE-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261693;MM261693;C=CCC(N)CN(C)N=C;WPDAACKEIWPQGB-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261694;MM261694;Cc1c[nH]nc1C#N;WFPRLXZIHCHHKP-UHFFFAOYSA-N;107.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261695;MM261695;CC(CN(C)C=N)NC=N;HEYVZXKRRMVBOH-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261696;MM261696;CC(CN(C)C=O)NC=N;BSKNJBLBXTUZBH-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261697;MM261697;C=C(CO)CN(N)C=O;CTQQUAGGARZQKN-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261698;MM261698;C=NNC(C)CN(C)C=N;RTQHERVJIUYNBF-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261699;MM261699;C=COC(C)CN(C)C=N;XOCIFKDJFADSPY-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261700;MM261700;CC(CN(C)C=O)OC=O;ITWCSFBBSZPLLI-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261701;MM261701;C=COC(C)CN(N)C=N;BWHILCMBAUEFSW-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261702;MM261702;C=NOC(C)CN(C)C=O;FXTGBGNPZZAVMF-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261703;MM261703;C=COC(C)CN(C)N=C;IMFUZNZZPVRHTI-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261704;MM261704;C=NN(C)CC(C)OC=O;PUUMHEZJCFSOLV-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261705;MM261705;C=NN(C)CC(=C)CO;UGTAUDGXTMWOJY-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261706;MM261706;CC(CC=O)ON(C)C=N;PBEQJVLOGDWHAU-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261707;MM261707;C=CCC(C)ON(C)C=O;HJYVGPYYMHWFGW-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261708;MM261708;CC(CC=O)ON(C)C=O;ZLDLKCQFOWKIEV-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261709;MM261709;CC(OC=O)ON(C)C=N;XNWNGRONOAASDU-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261710;MM261710;C=NOC(C)ON(C)C=N;AXHDSNQVJMKDLU-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261711;MM261711;C=CCN(C)CC(C)C=C;PTMJGZVQPTYNCW-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261712;MM261712;CC(=CC(C)=NN)CO;QWXMQSAVPOTBEN-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261713;MM261713;CN(CCO)N=CNO;HOXRBYKBSSLKKJ-UHFFFAOYSA-N;133.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261714;MM261714;CN(CC#N)CC(O)C#N;LBYUUGZVBUAKQC-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261715;MM261715;CC(C#N)CN(C)NC=N;HPUIIQFGRVLVDL-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261716;MM261716;CN(CC(O)C#N)NC=N;HUIWOTSOKRGJTR-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261717;MM261717;C#CCC(C)CC(C)C=C;XOHWIJFYVJPFLB-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261718;MM261718;C#CCC(C)CC(C)C=O;GTRNMRCLJAZNPW-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261719;MM261719;C#CCC(C)CC(C)C#N;KWUXQARASOKUPG-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261720;MM261720;C#CCC(C)CC(F)C#N;SWVDOGKGLBNVBC-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261721;MM261721;C#CCC(N)CC(C)C=C;BFMPZRAYZTZNMG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261722;MM261722;C#CCC(O)CC(C)C#N;DBIDHICGTNKHQY-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261723;MM261723;C#CCC(O)CC(N)C=C;SKCIGFNQRGOHCG-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261724;MM261724;C#CCC(O)CC(O)C#N;YXTQQKNCDWINCT-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261725;MM261725;C#CCC(F)CC(C)C#N;FIEWHFASGQAEBW-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261726;MM261726;C#CCC(F)CC(N)C=C;KJOJUSDKWRTGTJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261727;MM261727;C#CCC(F)CC(F)C=C;GEAGTLDDHWLRPG-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261728;MM261728;C#CCC(C)NC(C)C=C;DQFQGPAKGYJTPF-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261729;MM261729;C#CCC(C)OC(C)C=C;MROORJCDJKVFJS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261730;MM261730;C#CCC(C)OC(C)C=O;TYPXEBNYGGVHPH-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261731;MM261731;C#CCC(C)OC(C)C#N;KZQMKOPFLITWSQ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261732;MM261732;C#CCC(C)CN(N)C=O;OIEQLJUSZQYBAN-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261733;MM261733;C#CCC(O)CN(N)C=N;ISEOPYVUBVEGTL-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261734;MM261734;NN=CN=C(N)C(N)=O;ZAYXXJWTHICIBW-UHFFFAOYSA-N;129.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261735;MM261735;C#CCC(C)CN(C)N=C;IHQXXJZHKSVXBW-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261736;MM261736;C=C(CO)CNCC#N;BTXJOQQMXHDCBT-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261737;MM261737;C#CCC(C)ON(C)C=N;ZBRLEXFNFSJJEB-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261738;MM261738;C#CCN(C)CC(C)C=C;YGTJRASQGOSZLL-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261739;MM261739;C#CCN(C)CC(C)C#N;ZNAYBBMFCOTZHZ-UHFFFAOYSA-N;136.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261740;MM261740;C#CC(C)CC(C)CCC;NSMJHQCXLLTGDQ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261741;MM261741;C#CC(N)CC(C)CCF;ARXQVVHQORZBRP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261742;MM261742;C#CC(O)CC(C)CCF;VRDVSKFUSAPZKX-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261743;MM261743;C#CC(C)CC(N)CCN;XGJHGIGZYXMLGU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261744;MM261744;C#CC(C)CC(N)CCF;SHJXAQDIFCTCOP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261745;MM261745;C#CC(N)CC(N)CCC;AFNPDPBKNCBHDL-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261746;MM261746;C#CC(N)CC(N)CCF;WCBHPRMKVSPOIV-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261747;MM261747;C#CC(O)CC(N)CCC;MCXVQIPKOALMJD-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261748;MM261748;C#CC(F)CC(N)CCC;UURJTPZLRRUWFA-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261749;MM261749;CON=CC=C(C)CO;CMNNLRGGLCQOLA-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261750;MM261750;C#CC(C)CC(O)CCO;MWMOBMHJFVAEQK-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261751;MM261751;C#CC(N)CC(O)CCC;UHWCTODPGYOAON-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261752;MM261752;C#CC(N)CC(O)CCN;AIAXGKBEKRHFTH-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261753;MM261753;C#CC(N)CC(O)CCF;LZPFXNMIUUWRMV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261754;MM261754;C#CC(O)CC(O)CCN;NXBCISVQYOEXQS-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261755;MM261755;C#CC(C)CC(F)CCN;RNBDUEODASGFCO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261756;MM261756;C#CC(N)CC(F)CCC;WVMZTFHCRQCEOR-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261757;MM261757;C#CC(F)CC(F)CCF;HWCZIMVDYRITIT-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261758;MM261758;C#CC(C)CC(C)CNC;HWSDGTUUOJLFBC-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261759;MM261759;C#CC(N)CC(C)CNC;MHQCYBQGGFWAMQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261760;MM261760;C#CC(N)CC(O)CNC;XLURAGCLXJNTBN-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261761;MM261761;C#CC(O)CC(O)CNC;VHOUFXXJJRYHMQ-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261762;MM261762;C#CC(N)CC(N)COC;IUIOHLBRNSPHFM-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261763;MM261763;C#CC(O)CC(N)COC;UVHTWPYIPWHYOA-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261764;MM261764;C#CC(N)CC(O)COC;IFVOQAAWCXMWCW-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261765;MM261765;C#CC(O)CC(O)COC;SLOSROJEXXSOTJ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261766;MM261766;C#CC(C)CC(C)NCC;IJUHGAFRQUDDJO-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261767;MM261767;C#CC(N)CC(C)NCC;JXLWCQCWKVOTAH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261768;MM261768;C#CC(F)CC(C)NCC;UXBJQBJOSAEQGX-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261769;MM261769;C#CC(C)CC(C)OCC;SYQOHXQCCNPADZ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261770;MM261770;C#CC(N)CC(C)OCC;BRYKMRCFRPFGOB-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261771;MM261771;C#CC(O)CC(C)OCC;ZKFHLPRIYLPCMG-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261772;MM261772;C#CC(C)NC(C)CCF;KVWNPKRCKCZHMG-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261773;MM261773;C#CC(C)OC(C)CCO;SNQYPEXVSNWPCO-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261774;MM261774;C#CC(C)OC(C)COC;OUZHFFSTHJSAKR-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261775;MM261775;C#CC(C)OC(C)OCC;ITTYWRVANIZAME-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261776;MM261776;C#CC(N)CN(C)CCC;WASHICQAOCLLEJ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261777;MM261777;C#CC(N)CN(C)CCO;LMGQOIXKKURTAO-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261778;MM261778;C#CC(C)CC(C)CC=O;PXLQUPQPIIBXNV-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261779;MM261779;C#CC(N)CC(C)CC=C;UBBGXRBQZUYRCY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261780;MM261780;C#CC(O)CC(C)CC=O;NJVMVRCNXCDLJR-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261781;MM261781;C#CC(F)CC(C)CC=C;RJSBQGJPJKQYSD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261782;MM261782;C#CC(F)CC(C)CC=O;WTFFWZNGULAKJK-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261783;MM261783;C#CC(C)CC(N)CC=C;YRIDREXXERCDTQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261784;MM261784;C#CC(F)CC(N)CC=C;HFGYHISDQLOPEM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261785;MM261785;C#CC(N)CC(O)CC=C;UKNWVVSNLVOQJR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261786;MM261786;C#CC(F)CC(O)CC#N;NEQTYCQRRJXLQJ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261787;MM261787;C#CC(C)CC(F)CC=C;LFPBNXHDZXGYKV-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261788;MM261788;C#CC(C)CC(F)CC=O;XOSBKPYFCJCSTO-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261789;MM261789;C#CC(N)CC(F)CC=C;ABBLPPRPDANBKI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261790;MM261790;C#CC(O)CC(F)CC=C;TYXYNVXAPKXXAU-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261791;MM261791;C#CC(O)CC(F)CC=O;KJZZQIUFIKKHGQ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261792;MM261792;C#CC(F)CC(F)CC=C;USQYPSUBEZULFJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261793;MM261793;C#CC(F)CC(F)CC=O;PWGVRSIBVLCDAI-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261794;MM261794;C#CC(F)CC(F)CC#N;HUKYGAXFVZAXLK-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261795;MM261795;C#CC(C)CC(C)NC=N;YFJNQIMPWDQAHU-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261796;MM261796;C#CC(N)CC(C)NC=O;QCFUQXVZXFKTDI-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261797;MM261797;C#CC(C)CC(C)NN=C;WNWAOJNOECOZEI-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261798;MM261798;C#CC(N)CC(C)NN=C;BMHQSUBCQGGKCO-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261799;MM261799;C=C(CO)CN1CC1C;FGXZHPGXGRYTDW-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261800;MM261800;C#CC(F)CC(C)NN=C;GHUJXXKJAJFGEL-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261801;MM261801;C#CC(C)CC(C)OC=O;YBAGWHQLURQDAT-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261802;MM261802;C#CC(O)CC(C)OC=C;ZOUZFTZRYMADJL-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261803;MM261803;C#CC(F)CC(C)OC=O;KASOFLJOMUPXGY-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261804;MM261804;C#CC(C)NC(C)CC=C;UXSRIXOAYAPAAA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261805;MM261805;C#CC(C)NC(C)CC=O;QTKJLAJSQGONKP-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261806;MM261806;C#CC(C)OC(C)CC#N;XNGBHNJGNGEYAZ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261807;MM261807;C#CC(C)OC(C)OC=C;SBOJGBNVWRABOV-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261808;MM261808;C#CC(C)OC(C)OC=O;ZQXNXIFRPNWSKR-UHFFFAOYSA-N;142.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261809;MM261809;C#CC(C)OC(C)ON=C;XSAQEFRTMMOQBE-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261810;MM261810;C#CC(C)CN(C)CC=C;GVHGKWKYUQIUKA-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261811;MM261811;C#CC(F)CN(C)CC#N;LSXNDEKSMCEZOB-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261812;MM261812;C#CC(C)CN(C)NC=N;UBFGKFLQOBOFMD-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261813;MM261813;C#CCC(C)CC(C)C#C;SKRTXGITYBBQRD-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261814;MM261814;C#CCC(C)CC(N)C#C;UTWRFOJVATXPNP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261815;MM261815;C#CCC(C)CC(O)C#C;UMUGUZRMFPBFDP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261816;MM261816;C#CCC(N)CC(N)C#C;FHJNKAZAXCVFQV-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261817;MM261817;C#CCC(O)CC(N)C#C;LQTFMQRULOQWLP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261818;MM261818;C#CCC(F)CC(C)C#C;ROAIJTAJGPENBY-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261819;MM261819;C#CCC(F)CC(N)C#C;ARMJXXDVVSTSOF-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261820;MM261820;C#CCC(F)CC(F)C#C;GASQAHHQDOANNO-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261821;MM261821;C#CCC(C)NC(C)C#C;TYJGCXQIRKMVJK-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261822;MM261822;C#CCC(C)OC(C)C#C;XMHDOFUXSSRVKZ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261823;MM261823;C#CCN(C)CC(C)C#C;ZURFZCLFBNDXQO-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261824;MM261824;C=C(CC)CC(C)CCC;FCZKCECDUMVVSE-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261825;MM261825;C=C(CN)CC(C)CCN;PQPUHFMMTNOUIK-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261826;MM261826;C=C(CN)CC(C)CCO;ZXJCWQOBCDIXKZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261827;MM261827;C=C(CN)CC(C)CCF;QBYMNERVLHZMAF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261828;MM261828;C=C(CO)CC(C)CCN;FHRSSQBTLWLQBW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261829;MM261829;C=C(CO)CC(C)CCF;LGQRZWXDSIGPQO-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261830;MM261830;Cn1cc(CO)cc1N;GMQKEKQQWRADFC-UHFFFAOYSA-N;126.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261831;MM261831;CC#Cc1nc(N)c[nH]1;YWIBBUMEOIGTEF-UHFFFAOYSA-N;121.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261832;MM261832;CCCC(C)CC(=O)CO;BQYUWWBNXQHSKG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261833;MM261833;CC(CCO)CC(=O)CO;GPRNYGYVORFCSY-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261834;MM261834;CC(CCO)CC(=O)CF;MFHAIKCNMFOOOU-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261835;MM261835;C=C(CC)CC(N)CCC;BVKNHJUJUITRNQ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261836;MM261836;C=C(CC)CC(N)CCF;QXUFLQPOAWHYKT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261837;MM261837;C=C(CO)CC(N)CCC;MTULLBHZMWKEBD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261838;MM261838;C=C(CF)CC(N)CCC;MPLYKMARPIYUBX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261839;MM261839;CN=Nc1c[nH]c(C)c1;IHBBJVLBCISYOQ-UHFFFAOYSA-N;123.16;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261840;MM261840;C=C(CN)CC(O)CCC;MUNLGMRFQCVXQT-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261841;MM261841;C=C(CN)CC(O)CCF;ZPWRUUOVMXVCQM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261842;MM261842;C=C(CO)CC(O)CCC;LAWJIRFAHKDCFE-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261843;MM261843;C=C(CF)CC(O)CCC;HJPYEZATQJOLFA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261844;MM261844;CCCC(O)CC(=O)CC;PGABBSFKAKVBJC-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261845;MM261845;CCCC(O)CC(=O)CO;PESBBSXPWYNRLJ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261846;MM261846;O=C(CO)CC(O)CCO;SRUUYRSKNDFVMS-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261847;MM261847;CCCC(O)CC(=O)CF;YAYFBPPAYMQSOH-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261848;MM261848;O=C(CF)CC(O)CCF;JQBRQYXMEMNEED-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261849;MM261849;C=C(CC)CC(F)CCN;HCMFFTSGQAVIQY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261850;MM261850;C=C(CN)CC(F)CCC;QFXQPVWMHHJTOF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261851;MM261851;C=C(CO)CC(F)CCC;BLQGFSNFTJJQMU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261852;MM261852;C=C(CO)CC(F)CCF;GGBAYPOXEXZOBQ-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261853;MM261853;C=C(CF)CC(F)CCC;ROPQDIHPPGMSEK-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261854;MM261854;C=C(CF)CC(F)CCO;SDCLWANLAXXGSA-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261855;MM261855;C=C(CF)CC(F)CCF;SWLJVRNWWFIZEP-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261856;MM261856;CCC(=O)CC(F)CCF;CYTRSGLELBZXPV-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261857;MM261857;O=C(CO)CC(F)CCF;NFLIOPWVKGGFGK-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261858;MM261858;CCCC(F)CC(=O)CF;URZZMTJXNMUAEX-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261859;MM261859;O=C(CF)CC(F)CCF;ZLICWGIUDRIGQW-UHFFFAOYSA-N;154.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261860;MM261860;C=C(CC)CC(C)CNC;FNHGZZNLFKASFF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261861;MM261861;CNCC(C)CC(=O)CO;VTSZVHYVFTWMNK-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261862;MM261862;C=C(CC)CC(F)CNC;LLWQDJXCCVOBBD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261863;MM261863;C=C(CF)CC(F)CNC;NMOCTWDXEHILON-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261864;MM261864;C=C(CC)CC(O)COC;ZDUNOGQYHCWHPQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261865;MM261865;C=C(CO)CC(O)COC;YJGSUEIWQXIUOE-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261866;MM261866;CCC(=O)CC(O)COC;UDVYEUSDODNKNF-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261867;MM261867;COCC(O)CC(=O)CO;MXDVBUXFQAJZFD-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261868;MM261868;CNC(=N)CC(C)CCF;JBBKFAVZSJDRLB-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261869;MM261869;CCCC(C)CC(=N)NN;CPYHFPGHJUYECM-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261870;MM261870;CC(CCO)CC(=N)NN;YECRVYJGWRCFKY-UHFFFAOYSA-N;145.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261871;MM261871;CCCC(C)CC(=N)NO;IIWJWYTXIYAIFO-UHFFFAOYSA-N;144.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261872;MM261872;CC(CCO)CC(=N)NO;SKZKIFDHALRBHO-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261873;MM261873;CNC(=O)CC(C)CCN;WYSJRVZYQCKIRX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261874;MM261874;CC1C(=NN)N=CN1N;CATSRQHFWGBQSA-UHFFFAOYSA-N;127.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261875;MM261875;C=NOC(=O)C1CC1O;BPGVRNYBYYSBGL-UHFFFAOYSA-N;129.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261876;MM261876;C=Cc1cc(NN)n[nH]1;LARSGVDIEWUHQT-UHFFFAOYSA-N;124.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261877;MM261877;CNc1cc(N=N)c[nH]1;ATTFHJVXLGKGEP-UHFFFAOYSA-N;124.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261878;MM261878;CCCC(C)CC(=O)NO;NFDNODNERMIBMC-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261879;MM261879;CC(CCN)CC(=O)NO;SKWCILCCACXULI-UHFFFAOYSA-N;146.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261880;MM261880;CNC(=N)CC(N)CCF;ZPMFDKXFKKCMIS-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261881;MM261881;N=C(CC(N)CCF)NO;ATUNGTBHFOEMLW-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261882;MM261882;CCCC(N)CC(=O)NC;RCPRSDNZZZJHCV-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261883;MM261883;CNC(=O)CC(N)CCF;GAJJZLIEABFPBD-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261884;MM261884;CCCC(N)CC(=O)NO;MSCHPZOJVNRALQ-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261885;MM261885;CNC(=N)CC(O)CCN;MXANQYLRTOXWHY-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261886;MM261886;CNC(=N)CC(O)CCO;HMZSXRWFUFATNI-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261887;MM261887;CCCC(O)CC(=N)NN;BUZJKUNOGXNVDV-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261888;MM261888;CCCC(O)CC(=N)NO;VNVATWFZNOKHDP-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261889;MM261889;N=C(CC(O)CCO)NO;CCNVOCBJSFYTCJ-UHFFFAOYSA-N;148.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261890;MM261890;CNC(=O)CC(O)CCN;GGKOUSHROMDUSI-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261891;MM261891;CCCC(F)CC(=N)NC;MZRMHQXWGQXKJC-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261892;MM261892;N=C(CC(F)CCF)NN;IIFYUYMFNQMKEU-UHFFFAOYSA-N;151.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261893;MM261893;N=C(CC(F)CCN)NO;HWAZCGHYCBYHLA-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261894;MM261894;N=C(CC(F)CCF)NO;HWQVVFNLHSZIIL-UHFFFAOYSA-N;152.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261895;MM261895;CCCC(F)CC(=O)NC;VAKDQIJIRATPQB-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261896;MM261896;CC1C(CO)=CC2NC21;RYPZJCSKVTUYRL-UHFFFAOYSA-N;125.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261897;MM261897;CCCC(F)CC(=O)NO;QOCIFYGSGTZCIS-UHFFFAOYSA-N;149.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261898;MM261898;O=C(CC(F)CCF)NO;OPOHOSNGPVNDSE-UHFFFAOYSA-N;153.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261899;MM261899;CNCC(O)CC(=N)NC;BGNCUBYZLUCNCR-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261900;MM261900;CNCC(O)CC(=O)NC;ZTGVAXZYTYVTAH-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261901;MM261901;CNCC(O)CC(=O)NN;NOYXLJDNTSTCCB-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261902;MM261902;CNCC(O)CC(=O)NO;PNTYWEVSKRPLBH-UHFFFAOYSA-N;148.16;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261903;MM261903;CNCC(F)CC(=N)NC;VGGHIBKXGMBRJR-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261904;MM261904;COCC(C)CC(=N)NN;CRVQRSBPQJOEDP-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261905;MM261905;COCC(C)CC(=O)NO;VLMWVVQZGXVFCJ-UHFFFAOYSA-N;147.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261906;MM261906;CNC(=N)CC(O)COC;MRVPNSPJNHTXKL-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261907;MM261907;COCC(O)CC(=N)NN;KRRQAAYFHVRPCF-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261908;MM261908;COCC(O)CC(=N)NO;MBFHPVDEDUVTGH-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261909;MM261909;CNC(=O)CC(O)COC;YUWVPFMOKZTLCN-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261910;MM261910;CN(O)C=NNCC(N)=O;NBRABKMBLVKARX-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261911;MM261911;COCC(O)CC(=O)NO;MXYHTFDFKASYMS-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261912;MM261912;CNC(=O)CC(F)COC;ITSLIHIAYDJURY-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261913;MM261913;C=C(CC(C)CCN)OC;NXGGVSMEJRRGKD-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261914;MM261914;C=C(CO)CN(N)C(C)=O;FZVMUJWWFLVBQL-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261915;MM261915;C=C(CC(N)CCN)OC;SJMFPZBVSDUTTC-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261916;MM261916;CCCC(N)CC(=O)OC;UEOPHSISSQTFHC-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261917;MM261917;COC(=O)CC(N)CCN;CSQPHVVRFHDAOJ-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261918;MM261918;C=C(CC(O)CCC)OC;PATSBCCXPQEGTC-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261919;MM261919;C=C(CC(O)CCO)OC;HQCWLRWFQFWFLF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261920;MM261920;C=C(CC(F)CCN)OC;MTWKOEQKGBHCTG-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261921;MM261921;C=C(CC(F)CCF)OC;QRQPOKQESKGBBM-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261922;MM261922;C=C(CC(N)CNC)OC;MLUOOMHKGDWXHC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261923;MM261923;C=C(CC(F)CNC)OC;KZYAGTPPLVBKII-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261924;MM261924;C=C(CC(O)COC)OC;VACKFSJNLHATRP-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261925;MM261925;COCC(O)CC(=O)OC;VKCKOTRHMPAORK-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261926;MM261926;C=C(CF)CC(C)NCC;MKKQJNZUGREEOW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261927;MM261927;CCNC(C)CC(=O)CO;GIIGNJNJAONSFH-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261928;MM261928;CCNC(C)CC(=O)CF;LNRHJBHPLNGYKK-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261929;MM261929;CCNC(C)CC(=N)NC;OCFLBIFWMXDKNK-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261930;MM261930;CCNC(C)CC(=N)NN;MGTZJBDIQJUSNC-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261931;MM261931;CCNC(C)CC(=N)NO;WSDLYCUVMZZNGZ-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261932;MM261932;CCNC(C)CC(=O)NN;IRJOMLVNNZPEGO-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261933;MM261933;CCNC(C)CC(=O)NO;MXHUZPQRPBWKGE-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261934;MM261934;CCNC(C)CC(=O)OC;WFITUCSMIUVQDS-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261935;MM261935;CCOC(C)CC(=O)NC;JKBVVLVANYWMPQ-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261936;MM261936;COC(=O)CN(N)C(N)=O;YFRGQMWNGSBYNZ-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261937;MM261937;CCOC(C)CC(=O)NO;IMVHPDGHJXBKQE-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261938;MM261938;CCCC(C)NC(=N)CO;XXFUOBOTXWSZID-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261939;MM261939;C=C(CO)CN1CC1(C)C;BODWBNNXHFJBNS-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261940;MM261940;CCC(=O)NC(C)CCN;KRQWSWGFOZWIKX-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261941;MM261941;CCC(=O)NC(C)CCF;DQZGDMUWDFQRCE-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261942;MM261942;CC(CCN)NC(=O)CO;MSMCAWZWKLNVRZ-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261943;MM261943;CCCC(C)NC(=O)CF;ZHHYZBYNZFSRKP-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261944;MM261944;CC(CCO)NC(=O)CF;LYKHFTKMWPJWIV-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261945;MM261945;CNCC(C)NC(=N)CF;DTIDHPLNGNSGKM-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261946;MM261946;CNCC(C)NC(=O)CF;LVAUDWCUFQWNGN-UHFFFAOYSA-N;148.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261947;MM261947;CCCC(C)NC(=N)NC;DHNSRCHXPZUTQZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261948;MM261948;CNC(=N)NC(C)CCF;AEMCOHQQTSOCLO-UHFFFAOYSA-N;147.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261949;MM261949;CCCC(C)NC(=N)NN;BISMAJYOWWFFMC-UHFFFAOYSA-N;144.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261950;MM261950;CC(CCN)NC(=O)NO;KEFNLEUHDHAEON-UHFFFAOYSA-N;147.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261951;MM261951;CNCC(C)NC(=N)NC;MNHHIPBTWZKSCD-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261952;MM261952;COC(=N)NC(C)CCO;UQAQHMKBPAKLSK-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261953;MM261953;COC(=O)NC(C)CCN;WRWVCYPWDJVESY-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261954;MM261954;COC(=O)NC(C)CCO;SXIHALMUNQKHQE-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261955;MM261955;CNCC(C)NC(=N)OC;WUQMPDRQMDHTJS-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261956;MM261956;CNCC(C)NC(=O)OC;KKYHBGXCOVMIFC-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261957;MM261957;C=C(CC)OC(C)CCC;JDLOZMUXIQVJKV-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261958;MM261958;C=C(CC)OC(C)CCO;VRANRQCCYZJUOZ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261959;MM261959;C=C(CF)OC(C)CCN;NQLUYXMPRQKJEG-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261960;MM261960;CCC(=O)OC(C)CCN;GZGXPXQJWFPWKX-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261961;MM261961;CC(CCN)OC(=O)CN;QIWOJMDJJGFRBM-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261962;MM261962;CCCC(C)OC(=O)CO;OGFZZOJAUTYZLD-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261963;MM261963;CC(CCO)OC(=O)CO;VUFFGQATAQTUKV-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261964;MM261964;CCCC(C)OC(=O)CF;LMUCCRNEWQFXOS-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261965;MM261965;CC(CCN)OC(=O)CF;FHMGUTRQJCSXIX-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261966;MM261966;CC(CCF)OC(=O)CF;CMTBFSPVCXQUFG-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261967;MM261967;C=C(CN)OC(C)CNC;VVGHAFIKDRJSNC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261968;MM261968;C=C(CF)OC(C)CNC;OLZBLPFRCRAPGR-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261969;MM261969;CNCC(C)OC(=O)CO;IVIRELSPYTTXKN-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261970;MM261970;CNC(=N)OC(C)CCF;ADIBZVLUQCOHKN-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261971;MM261971;CNC(=O)OC(C)CCO;ROSBQVYZUFAMDC-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261972;MM261972;C#CC(C)=NOCC(N)=O;YYPTZVYZELOPKK-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261973;MM261973;CNCC(C)OC(=O)NC;SPDPBEWEDLHHRA-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261974;MM261974;CCCC(C)OC(=O)OC;SZNSABMHTKBDFG-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261975;MM261975;CNCC(C)OC(=O)OC;HMSRTTKEQFHPKJ-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261976;MM261976;C=C(CO)OC(C)OCC;SVJWDOOTLZISET-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261977;MM261977;CCOC(C)OC(=O)CF;GMYCGULYQURFQI-UHFFFAOYSA-N;150.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261978;MM261978;C=C(CC)CN(C)CCC;DKZBCRGNZOABNQ-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261979;MM261979;C=C(CN)CN(C)CCO;CCRIPECDUUTDJP-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261980;MM261980;C=C(CO)CN(C)CCC;UQUZTHDXMKAINP-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261981;MM261981;C=C(CF)CN(C)CCC;ADOQCAJMRTYMCG-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261982;MM261982;CNC(=N)CN(C)CCN;FBXYCUCMSAUOOD-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261983;MM261983;CNC(=N)CN(C)CCO;PVVDMSLZQFYRQD-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261984;MM261984;CNC(=N)CN(C)CCF;YFCKCPQZLWGLCG-UHFFFAOYSA-N;147.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261985;MM261985;CCCN(C)CC(=N)NN;PMAAVBFDLRVKNM-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261986;MM261986;CN(CCO)CC(=N)NN;IUGQSJALXYZURM-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261987;MM261987;CCCN(C)CC(=N)NO;GSJONTUBTNAEPB-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261988;MM261988;CN(CCO)CC(=N)NO;ZLYXZIJOMSTMMF-UHFFFAOYSA-N;147.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261989;MM261989;CN(CCF)CC(=N)NO;WSNKOYUFJKYCCJ-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261990;MM261990;CNC(=O)CN(C)CCN;FNPWBIQOPLHUQN-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261991;MM261991;CN(CCN)CC(=O)NO;VQVXPICVGXKAQM-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261992;MM261992;C=C(CN(C)CCC)OC;VBCVYVITXFRMOM-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261993;MM261993;C=C(CN(C)CCN)OC;NWEKYSIZESBNMW-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261994;MM261994;C=C(CO)CN(C)N=CC;LJKCNFNGUNUCQE-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261995;MM261995;CN(CCO)NC(=N)CO;ZWLSFOFPJZXAAF-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261996;MM261996;CCC(=O)NN(C)CCO;RGTOLZLWDYYRQC-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261997;MM261997;CCCN(C)NC(=O)CO;JPNSURGTAXJYFM-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261998;MM261998;CN(CCO)NC(=O)CO;PCCVGRSPHXSTHF-UHFFFAOYSA-N;148.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM261999;MM261999;CN(CCF)NC(=O)CF;PFKFYBAEBFXFMF-UHFFFAOYSA-N;152.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262000;MM262000;CNC(=N)NN(C)CCN;JEELKNLRNZVGNS-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262001;MM262001;CN(CCO)NC(=N)NN;FAIOSODPWWADOH-UHFFFAOYSA-N;147.18;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262002;MM262002;CN(CCO)NC(=N)NO;NSDTYOBFDMQGBH-UHFFFAOYSA-N;148.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262003;MM262003;CNC(=O)NN(C)CCN;ABFGJKJWORFVAB-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262004;MM262004;CNC(=O)NN(C)CCO;ACUYUJHZCAVISV-UHFFFAOYSA-N;147.18;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262005;MM262005;CN(CCO)NC(=O)NN;MYLFYAVQBNYXCZ-UHFFFAOYSA-N;148.17;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262006;MM262006;CN(CCO)NC(=O)NO;NSJLCRFVHXMUKZ-UHFFFAOYSA-N;149.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262007;MM262007;COC(=O)NN(C)CCO;WCSMHPIKRSAQAL-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262008;MM262008;C=C(CC)CC(C)CC#N;BMWXABQPDUZJFS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262009;MM262009;C=CCC(C)CC(=C)CN;PMXFHTLNGMXARZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262010;MM262010;C=CCC(C)CC(=C)CO;PGDFIMKODDNYMV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262011;MM262011;C=C(CO)CC(C)CC=O;BEJQOGBOGPIZQS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262012;MM262012;C=C(CF)CC(C)CC=O;LBHWBKAHNFHFFT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262013;MM262013;CCC(=O)CC(C)CC=O;VESBQJDNSPRIFQ-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262014;MM262014;C=CCC(C)CC(=O)CF;REPABZGIJYOPAF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262015;MM262015;CC(CC=O)CC(=O)CF;RJOMLSYAKTUVHD-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262016;MM262016;C=CCC(N)CC(=C)CC;VCIGNGFNTFNMNJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262017;MM262017;CCCC(O)CC(C)=NN;FUIYLHAWSFYIOY-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262018;MM262018;C=CCC(O)CC(=C)CF;MBDDNRMOZWYRIP-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262019;MM262019;C=CCC(O)CC(=O)CC;FWGBDFBCJITCIY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262020;MM262020;N#CCC(O)CC(=O)CO;VMFWBNMUKOXLQN-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262021;MM262021;C=C(CC)CC(F)CC=O;NZEKTYIAJFQBFR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262022;MM262022;C=CCC(F)CC(=C)CN;OCSIVCSKXHHYPQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262023;MM262023;C=C(CF)CC(F)CC=O;IBGUWOWMGYUUOO-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262024;MM262024;C=CCC(F)CC(=O)CC;CUOSKSXBDSVHCZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262025;MM262025;CCC(=O)CC(F)CC#N;GBBSKNKJLUTBCO-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262026;MM262026;C=CCC(F)CC(=O)CF;UMVIAEZNJZJSKQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262027;MM262027;C=CCC(C)CC(=N)NC;LFIMKRJJFHPLAR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262028;MM262028;C=CCC(C)CC(=N)NO;AGCCSPKBFOGNKG-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262029;MM262029;CNN=C(C)OC(=O)NC;GRNJJCUKEYDKGB-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262030;MM262030;CC(=NN)C(F)=CC(C)O;AGMXHYKRZKOQFF-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262031;MM262031;C=CCC(C)CC(=O)NO;BQAAFIJXTZKSBU-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262032;MM262032;CC(CC=O)CC(=O)NO;YQGCDRCDOYWTBJ-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262033;MM262033;CNC(=N)CC(O)CC#N;BDSRFZOCNRNQFN-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262034;MM262034;N#CCC(O)CC(=N)NO;QQMYJDXGXYZIQQ-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262035;MM262035;CNC(=O)CC(O)CC=O;SQNMKXFYGMKMBP-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262036;MM262036;CNC(=O)CC(O)CC#N;WGFIWEQUXAGXFA-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262037;MM262037;C=CCC(O)CC(=O)NO;JCZJCTVZOJLGRR-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262038;MM262038;C=CCC(F)CC(=N)NC;WAJKBFLNXZKLRX-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262039;MM262039;C=CCC(F)CC(=O)NC;GBYIKBYOKKNTRL-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262040;MM262040;C=CCC(C)CC(=C)OC;QCBZQQONIBYVFE-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262041;MM262041;C=C(CC(C)CC=O)OC;FABBKJWCMPQLNG-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262042;MM262042;C=CCC(C)CC(=O)OC;XQBCHBIXXOXENP-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262043;MM262043;COC(=O)CC(C)CC=O;BZZBJWKYGKZPOE-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262044;MM262044;C=CCC(N)CC(=O)OC;XBGLMCWXHVJSLE-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262045;MM262045;C=C(CC(O)CC#N)OC;QTKVSWJQTKOSMU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262046;MM262046;COC(=O)CC(O)CC#N;SSIBSMAGWANLAQ-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262047;MM262047;C=C(CC(F)CC=O)OC;DQQJUZPMUDMBMO-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262048;MM262048;C=C(CC)CC(C)NC=N;IMLKHHXRUNVDCG-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262049;MM262049;C=C(CO)CC(C)NC=N;SPPDWAGKLWDZKD-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262050;MM262050;C=NNC(C)CC(=C)CF;SFZNLNNYPSIYFT-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262051;MM262051;CC(O)CNN=CCCO;OYHPGKVHFGNAGI-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262052;MM262052;C=NOC=NOCC(N)=O;ZVBYJSZVGPGKCK-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262053;MM262053;CC(CC(=N)NN)NC=N;STZMBSYWRJNZCY-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262054;MM262054;CC(CC(=N)NN)NC=O;ZDWAXOIJTWMICU-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262055;MM262055;CC(CC(=O)NN)N=CN;QEMRPUITJUAFND-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262056;MM262056;CC(CC(=O)NO)N=CN;YTICJXVMYIKLCI-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262057;MM262057;C=NNC(C)CC(=N)NO;JOHYZTAULCYWKJ-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262058;MM262058;CN(N=CCCO)C(N)=O;OOSZNHFROKQGBD-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262059;MM262059;C=COC(C)CC(=C)CN;QQQJKJFRAGGAQV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262060;MM262060;C=C(CO)CC(C)OC=O;NPALZFOOWMYPFT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262061;MM262061;C=COC(C)CC(=C)CF;VTESSETWLCEPLS-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262062;MM262062;C=C(CF)CC(C)OC=O;NQQSXUUMCJNALI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262063;MM262063;CCC(=O)CC(C)OC=O;PHMODRBWOWKHTJ-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262064;MM262064;CC(CC(=O)CO)OC=O;KIJFFGCFGMCLES-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262065;MM262065;C=NOC(C)CC(=C)CC;PRUYLXGZFFTHNT-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262066;MM262066;C=NOC(C)CC(=C)CN;DLFAPDICLPJDBY-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262067;MM262067;C=NOC(C)CC(=C)CF;ACUMVQSUOPZYLJ-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262068;MM262068;COCC(=N)N(N)C(N)=O;MBYJPHXQYUNOSH-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262069;MM262069;C=COC(C)CC(=N)NC;BQOAQUSIIBVTRR-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262070;MM262070;C=COC(C)CC(=N)NN;YZWVFFPWSUAHBJ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262071;MM262071;C=COC(C)CC(=N)NO;ZGIFUGHJTHDVLN-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262072;MM262072;CC(CC(=N)NO)OC=O;DNAHNMMCUJBTSK-UHFFFAOYSA-N;146.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262073;MM262073;C=COC(C)CC(=O)NC;ZINGLZZKKWBHQH-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262074;MM262074;CNC(=O)CC(C)OC=O;GQJBRFWRLCSDMR-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262075;MM262075;C#CCN(N)C(=N)C(N)=O;MQASSTJDLBROTC-UHFFFAOYSA-N;140.15;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262076;MM262076;C=NOC(C)CC(=N)NC;NJTRCYRUVQNXFY-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262077;MM262077;C=NOC(C)CC(=N)NN;HVHDSYMJIGBJCE-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262078;MM262078;C=NOC(C)CC(=N)NO;RGRIRPNNNYSCMA-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262079;MM262079;C=C(CO)CNC(C)C#N;YSLOFUKGPOGHKA-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262080;MM262080;C=CCC(C)NC(=N)CC;NEMYNQZGHCASKW-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262081;MM262081;CCC(=N)NC(C)CC=O;SKSKYHPBFUTBPT-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262082;MM262082;CC(CC=O)N=C(N)CO;IVGHFPNOKVUAEG-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262083;MM262083;C=CC1(C)NC1C(=O)CF;LVKXKJAMMHAJEC-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262084;MM262084;C=CCC(C)NC(=N)NC;FPJNWYSXVKMTBZ-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262085;MM262085;CNC(=N)NC(C)CC=O;NDGMYHPHUVWTJE-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262086;MM262086;CC(CC=O)NC(=N)NO;NVARBDTUBXLIMV-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262087;MM262087;CNC(=O)NC(C)CC=O;JSRVDOXWELNJIC-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262088;MM262088;C=CCC(C)OC(=C)CC;ZYHBYMHQEMDBFZ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262089;MM262089;C=CCC(C)OC(=C)CN;LFHOBIMIJOAVCX-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262090;MM262090;C=CCC(C)OC(=C)CF;MCEWRQIGBAAJFC-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262091;MM262091;CCC(=O)OC(C)CC=O;PQWCRDYIGKFKSP-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262092;MM262092;C=CCC(C)OC(=O)CF;GJMQALUMIKBPPT-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262093;MM262093;C=CCC(C)OC(=N)NC;AWPRGAAKSXCIHH-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262094;MM262094;C=CCC(C)OC(=O)NC;YSHUBZVFPRUCTC-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262095;MM262095;C=CCC(C)OC(=O)NO;VQMUXFRDBTUEDM-UHFFFAOYSA-N;145.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262096;MM262096;C=COC(C)OC(=C)CC;FGWVEPWFOJFQAR-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262097;MM262097;C=COC(C)OC(=C)CO;NKJQSGWUHTYYHZ-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262098;MM262098;CCC(=O)OC(C)OC=O;VPDKXKMMKCXWIA-UHFFFAOYSA-N;146.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262099;MM262099;CC(OC=O)OC(=O)CO;YZDSGVVGKFLUMF-UHFFFAOYSA-N;148.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262100;MM262100;C=COC(C)OC(=O)CF;NETIJTOPTAVIRX-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262101;MM262101;C=NOC(C)OC(=C)CN;GRLHOKFGMQVQGH-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262102;MM262102;C=C(CO)CN(C=O)NC;MQMNTXIEMBOIEN-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262103;MM262103;C=COC(C)OC(=O)NC;WKPKOQYQFADXIQ-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262104;MM262104;CNC(=O)OC(C)OC=O;OYRHTQIQYPJLGY-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262105;MM262105;CC(OC=O)OC(=O)NN;UNYVHPGSCGRCHB-UHFFFAOYSA-N;148.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262106;MM262106;C=NOC(C)OC(=N)NC;AIXAVTXCUFDSJS-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262107;MM262107;C=CCN(C)CC(=C)CN;IXXVOCPSWGUBMR-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262108;MM262108;C=C(CO)CN(C=N)C=O;BXKSLKQEQVGZLP-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262109;MM262109;C=CC(CC(O)CC)=NN;GVWDAUZIOFWPJW-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262110;MM262110;CN=C(N)CN(C)CC=O;ZXUYRTUURFTQFA-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262111;MM262111;CNC(=N)CN(C)CC#N;GSOXJMMDKFQQIY-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262112;MM262112;CN(CC=O)CC(=N)NO;VJAJONYWBFYBKA-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262113;MM262113;CN(CC#N)CC(=N)NO;URZXUWIQUNYLNA-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262114;MM262114;C=CCN(C)CC(=O)OC;ZXTBCLRJPBHPPV-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262115;MM262115;CCC(C=C(C)CO)=NN;MFXSQGGNJUPPNJ-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262116;MM262116;COC(=O)CN(C)CC#N;YLQDNQNIYUBYSJ-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262117;MM262117;C=C(CC)CN(C)NC=N;RCVJRWLQPBBNSH-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262118;MM262118;C=C(CO)CN(C)NC=O;ZGKOIGYJDJMHPN-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262119;MM262119;CNC(=N)CN(C)NC=N;MGINHBNDIGWHMC-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262120;MM262120;CN(CC(=N)NO)NC=N;SGWSVZZQDUULHN-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262121;MM262121;CNC(=O)CN(C)N=CN;JDIKMYYPPCFPBN-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262122;MM262122;C=NOCC(C)=C(C)CO;QVKMKTIIPIJUJD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262123;MM262123;C=C(CN(C)NC=O)OC;ZHUWNYQRNFROBP-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262124;MM262124;COC(=O)CN(C)N=CN;RGNPUWCGNKRBBR-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262125;MM262125;COC(=O)CN(C)NC=O;BUVNYMASFGIKAW-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262126;MM262126;CCC(=N)NN(C)CC=O;PWMKLQBWYMVBCV-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262127;MM262127;CCC(=N)NN(C)CC#N;TXFITEMECLISFF-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262128;MM262128;CN(CC#N)NC(=N)CO;OAYCXYWRMRRFNY-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262129;MM262129;CCC(=O)NN(C)CC=O;VCPZQZSQGSZUMT-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262130;MM262130;CCC(=O)NN(C)CC#N;BLEOAEPZBXCDFL-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262131;MM262131;CN(CC#N)NC(=O)CO;CLIJNASFESVOKV-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262132;MM262132;CNC(=N)NN(C)CC=O;QLLSEZWPGAWWSS-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262133;MM262133;CN(CC=O)NC(=N)NO;RYIWYUNPJMWYGU-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262134;MM262134;CN(CC#N)NC(=N)NO;CIXVPLMXWKSLJK-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262135;MM262135;CNC(=O)NN(C)CC=O;ABRNFZPOVJBZBM-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262136;MM262136;CN(CC=O)NC(=O)NO;LAFYZDCMSJCOBM-UHFFFAOYSA-N;147.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262137;MM262137;C#CCC(C)CC(=C)CC;FPFOOVXEEUUDEF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262138;MM262138;C#CCC(C)CC(=C)CN;BAZLXBFCWXLXSW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262139;MM262139;C#CCC(C)CC(=O)CC;VDHLICCDEVKGNA-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262140;MM262140;C#CCC(O)CC(=O)CC;FDROMEVTYIKRLI-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262141;MM262141;C#CCC(F)CC(=C)CN;PYMRWUPRZIACRL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262142;MM262142;C#CCC(F)CC(=C)CO;LAHIVQSXURMKEZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262143;MM262143;C#CCC(F)CC(=C)CF;UEKFRMNFDSSUSS-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262144;MM262144;C#CCC(F)CC(=O)CF;RCFRTTNDBGSFSD-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262145;MM262145;C#CCC(C)CC(=N)NC;IBRHGEPSVNKNPU-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262146;MM262146;C#CCC(C)CC(=N)NO;XWSWMUGZLJXDNF-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262147;MM262147;CNC(=O)C=NN=CNN;BEEMHTKKWLRJOV-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262148;MM262148;CCNN=CC=C(C)CO;HDEWXQSTHBTKGD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262149;MM262149;C#CCC(N)CC(=O)NC;IFXITVIKDWPCTA-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262150;MM262150;C#CCC(N)CC(=O)NO;WIHPTEGNVLZOCW-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262151;MM262151;C#CCC(C)CC(=C)OC;QVFPJXIOLFZWKL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262152;MM262152;C#CCC(C)CC(=O)OC;OHHLNACQZJDYHE-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262153;MM262153;C#CCC(N)CC(=O)OC;POOCMMJFXYFJRT-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262154;MM262154;C#CCC(O)CC(=C)OC;OQCBYPKMJSJBNL-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262155;MM262155;C#CCC(O)CC(=O)OC;HYKUJYAPINIGBU-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262156;MM262156;C#CCC(C)NC(=N)CC;ZKQIOKHUVLYBGM-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262157;MM262157;C#CCC(C)NC(=O)CC;CSRZBUZNKVULKG-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262158;MM262158;C#CCC(C)NC(=N)NN;FILHMFBUCFMSBY-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262159;MM262159;C#CCC(C)NC(=O)OC;APIPTHVOKAMMFV-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262160;MM262160;C#CCC(C)OC(=C)CC;BWTBZNVSIQJSFU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262161;MM262161;C#CCC(C)OC(=C)CO;PZIQEABQLIHZJE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262162;MM262162;C#CCC(C)OC(=O)CO;SFKFYQILZPBCHM-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262163;MM262163;CCON=CC=C(C)CO;ZFYWXSJNADTWME-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262164;MM262164;C#CCC(C)OC(=O)OC;SXAFDUAMYYUQPR-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262165;MM262165;C#CCN(C)CC(=C)CN;SCLJUGBZZRSRKB-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262166;MM262166;CC(=CC=NOC=O)CO;WVMIVDNALIOKDD-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262167;MM262167;C#CCN(C)NC(=N)CN;XPQCFDULTITPBF-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262168;MM262168;C#CCN(C)NC(=N)CO;VTRVCQSKAUYVGL-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262169;MM262169;C#CCN(C)NC(=O)CF;JNBGXVKGHZUZFW-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262170;MM262170;C#CCN(C)NC(=N)NC;AVTPOKWCZYQKPD-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262171;MM262171;C#CCN(C)NC(=N)NN;MRUBXKRURNYFMQ-UHFFFAOYSA-N;141.18;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262172;MM262172;C#CCN(C)NC(=N)NO;UIBYPFPLMMJTPS-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262173;MM262173;C#CCN(C)NC(=O)NC;XBGQGLJALXZKMW-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262174;MM262174;C#CCN(C)NC(=O)NN;ZMGAMPDQKGFNNO-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262175;MM262175;C#CCN(C)NC(=O)NO;NKEUMIBBCYLNSE-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262176;MM262176;C=CC(=C)CC(C)CCC;AREKIHAFRZTNEN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262177;MM262177;C=CC(=C)CC(C)CCN;CZNBAQDNITVXIJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262178;MM262178;C=C(C=O)CC(C)CCF;VAZNYPLLJBRUFF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262179;MM262179;CCN(CCO)N=CNO;BDAQCJSWOLKRBE-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262180;MM262180;C=CC(=O)CC(C)CCF;XJWBYPKEBUMIHL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262181;MM262181;CC(CCF)CC(=O)C=O;CFRMSVNJHHYCTK-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262182;MM262182;CC(CCF)CC(=O)C#N;FYZUYEZBGVLUOC-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262183;MM262183;C=CC(=C)CC(N)CCF;ADWLWOCUKSZILY-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262184;MM262184;O=CC(=CCO)N=CNO;IUWFTOJUAWCLGR-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262185;MM262185;C=CC(=C)CC(O)CCN;PYJMUOCYFIBDQR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262186;MM262186;C=CC(=C)CC(O)CCO;YCRGMSXHRXGKMT-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262187;MM262187;C=C(C=O)CC(O)CCC;NQAVWKZUDGVDHG-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262188;MM262188;C=CC(=C)CC(F)CCC;WEGZORMZTZQMRS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262189;MM262189;C=CC(=C)CC(F)CCN;NSDJLUUHRZTQBL-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262190;MM262190;C=CC(=C)CC(F)CCF;KCDXVAHWAWQLCK-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262191;MM262191;C=C(C=O)CC(F)CCF;DRHIZZTZMPYASE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262192;MM262192;C=C(C#N)CC(F)CCF;CYODGXPTRYAUEB-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262193;MM262193;C=CC(=O)CC(F)CCC;CJHOPVYCOCTWMM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262194;MM262194;C=CC(=O)CC(F)CCF;BZGIHLAZLJYRCQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262195;MM262195;CCCC(F)CC(=O)C=O;PTDMECRFIDCFPF-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262196;MM262196;C=CC(=C)CC(C)CNC;GUHICZIDQIWAIY-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262197;MM262197;C=C(C=O)CC(C)CNC;LLBFBIUGQDQKPT-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262198;MM262198;CNCC(O)CC(=O)C=O;LVPWOYFVKCOHPH-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262199;MM262199;CNCC(F)CC(=O)C#N;BDXNJBZOOKHMOA-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262200;MM262200;C=C(C#N)CC(O)COC;QPXMQKPOYWYKLR-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262201;MM262201;C=CC(=O)CC(O)COC;AGRUFZMAHLIMDW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262202;MM262202;COCC(O)CC(=O)C=O;UXNLSXUNHMLTSO-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262203;MM262203;COCC(O)CC(=O)C#N;FPUZDWGVSIRKNB-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262204;MM262204;C=CC(=C)CC(C)NCC;OCMAXISPZHJJML-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262205;MM262205;CCOC(C)CC(=O)C=O;BHSIFDKHVLRUPI-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262206;MM262206;C=CC(=N)NC(C)CCN;AETLHYUYFIRDOA-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262207;MM262207;C=CC(=N)NC(C)CCF;OMLAJOGLLVDMPV-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262208;MM262208;CCCC(C)NC(=N)C#N;NAIYXYHRRBONIL-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262209;MM262209;C=NNCC(CF)C(C)O;CXVRTXBULOHMKG-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262210;MM262210;C=CC(=O)NC(C)CCN;IAVRWYNBLPWQSD-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262211;MM262211;C=NN=CN(NC)C(N)=O;BDQRMOUWOJDICP-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262212;MM262212;CCCC(C)NC(=O)C=O;JZHWNNIBGSIKTJ-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262213;MM262213;CC(CCF)NC(=O)C=O;AMQJHZSWFZASOX-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262214;MM262214;CNCC(C)NC(=N)C#N;NSTMOGHAZXBKKI-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262215;MM262215;CNCC(C)NC(=O)C=O;RCBTXYKEYUSCOR-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262216;MM262216;C=CC(=N)NC(C)COC;WCWVFRNXJGTOKD-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262217;MM262217;COCC(C)NC(=N)C#N;JFCOECCOIITNJW-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262218;MM262218;C=C(C#N)OC(C)CCO;NFRLVSFWRUICON-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262219;MM262219;C=C(C=O)OC(C)CCF;MWZIKSZIPLCFBM-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262220;MM262220;C=C(C#N)OC(C)CCF;PQPVDLRLTAKTST-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262221;MM262221;C=CC(=O)OC(C)CCO;RGQAJRYYRHQYPE-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262222;MM262222;C=CC(=O)OC(C)CCF;KIVIMOOYZKABKX-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262223;MM262223;CCCC(C)OC(=O)C=O;YYQRSQGEHLEHKM-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262224;MM262224;CC(CCO)OC(=O)C=O;LTVCKZZVSPAFQX-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262225;MM262225;C=CC(=O)OC(C)CNC;SHUASOZFCKWDFR-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262226;MM262226;C=C(C=O)OC(C)COC;JVUWSPSUUBFCJX-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262227;MM262227;C=C(C=O)OC(C)OCC;POHFLMPHVYPRBG-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262228;MM262228;C=CC(=O)OC(C)OCC;DBZKLCIHFPDWMJ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262229;MM262229;CCOC(C)OC(=O)C=O;JZZJYPYFUHWNAT-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262230;MM262230;C=C(C=O)CN(C)CCC;XZLMHDCABFHVJV-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262231;MM262231;C=C(C#N)CN(C)CCF;NIHMPTPVVGEWFT-UHFFFAOYSA-N;142.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262232;MM262232;N=CN(C=CC=O)C(N)=O;ORANWEKGTAPLHD-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262233;MM262233;C#CC=CN(C=N)C(N)=O;HLLHJKSOWIBJGY-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262234;MM262234;C=CC(=N)NN(C)CCO;PMDLVUOELZWWIM-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262235;MM262235;C=C(CO)CN1C(C)C1C;NQKKANUQCHZFGV-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262236;MM262236;N#CC(C#N)NCCCF;JAQOIQBGEHMUIP-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262237;MM262237;C#CC(CO)C(C)C=NN;UDELWNDMPWJQET-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262238;MM262238;CNC1(C#N)CC1NC=O;FFHFLVUUFUTSIJ-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262239;MM262239;NN1CC=C(CO)CC1=O;RCDSBKJBJOCODB-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262240;MM262240;C=CC(=O)NN(C)CCF;ILKMIAZFROKITF-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262241;MM262241;C=CCC(C)CC(=C)C=C;GQPHOVRVPWZZJG-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262242;MM262242;C=CC(=C)CC(C)CC#N;AKZXLXFCGDYMIE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262243;MM262243;C=CCC(C)CC(=C)C#N;HRJJRALWQZKBLQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262244;MM262244;C=C(C=O)CC(C)CC#N;RPGXBMPEAXDBOS-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262245;MM262245;C=C(C#N)CC(C)CC#N;BGADTOHQEIBEIE-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262246;MM262246;C=CC(=O)CC(C)CC=O;OIJNLQXCVVPEMR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262247;MM262247;C=CCC(C)CC(=O)C=O;NLGSYIMSHKWZFW-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262248;MM262248;C=CCC(C)CC(=O)C#N;VRNVJPLRCAEROT-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262249;MM262249;C=CC(=C)CC(O)CC#N;OPYWCWQLRDOYFV-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262250;MM262250;C=CCC(O)CC(=C)C#N;XCNILXJNBCQEHY-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262251;MM262251;C=C(C=O)CC(O)CC#N;FBUYAHTXVYTJPK-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262252;MM262252;C=CC(=O)CC(O)CC=O;DBOGXHGNHAATGB-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262253;MM262253;O=CCC(O)CC(=O)C=O;FQHANMAZISLWEC-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262254;MM262254;N#CC(=O)CC(O)CC=O;FODRFAFVXXXMHU-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262255;MM262255;N#CCC(O)CC(=O)C#N;XATSUDXFOOHWSM-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262256;MM262256;C=CC(=C)CC(F)CC=O;ACHDDDXZHWIRGV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262257;MM262257;C=CC(=C)CC(F)CC#N;XNAHOAVGOLCQPQ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262258;MM262258;C=CCC(F)CC(=C)C=O;SWXPPCUNPOAGCX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262259;MM262259;C=C(C=O)CC(F)CC=O;KCIHTXXCKWRAGY-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262260;MM262260;C=CCC(F)CC(=O)C=C;DYJQWEMSHZUUGS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262261;MM262261;C=CC(=O)CC(F)CC#N;HUVNXTBLRSPNSZ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262262;MM262262;C=CCC(F)CC(=O)C=O;DRNQQROYHGUORY-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262263;MM262263;C=CCC(F)CC(=O)C#N;DPKFPUXYDKXFDJ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262264;MM262264;C=CC(=C)CC(C)NC=N;JRZVNQVYVLLFJZ-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262265;MM262265;CCc1cc(C(C)C)[nH]n1;WTMLGJLFLXIXPS-UHFFFAOYSA-N;138.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262266;MM262266;CC(CC(=O)C#N)N=CN;VLUJSVMONURPKK-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262267;MM262267;C=C(CO)CN1CC1CC;LLJFPDXEYGYLJF-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262268;MM262268;C=C(C=O)CC(C)OC=O;DAQQCZWMGSQIMW-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262269;MM262269;C=CC(=O)CC(C)OC=O;PDRBUVAVTVODTL-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262270;MM262270;C=COC(C)CC(=O)C#N;CSXHTTULWGSWRP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262271;MM262271;CC(CC(=O)C#N)OC=O;SHTDZVGYFVBGLT-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262272;MM262272;CCc1ccc(NO)cc1;WHEWNUKTGUEMKA-UHFFFAOYSA-N;137.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262273;MM262273;C=CCC(C)NC(=N)C=C;MKTDRPWNVFFOBU-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262274;MM262274;C=CCC(C)N=C(N)C=O;UKMJIKUHBIFJCB-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262275;MM262275;Nc1nnoc1N;NGWOOEYJRLFKPC-UHFFFAOYSA-N;100.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262276;MM262276;C=CCC(C)NC(=O)C#N;FLQUSNQCHPAVGJ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262277;MM262277;C=CCC(C)OC(=C)C=O;COXLPRGRITVFBZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262278;MM262278;C=CCC(C)OC(=C)C#N;SVHJQAUVBMALGX-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262279;MM262279;C=CCC(C)OC(=O)C=O;NFTJCBHAZCBJMA-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262280;MM262280;C=CCC(C)OC(=O)C#N;GUXZBRJBWPPTHK-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262281;MM262281;CC(CC=O)OC(=O)C=O;BGSAGMBNGURAMY-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262282;MM262282;C=COC(C)OC(=C)C=O;GLHLGEWUICIJBO-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262283;MM262283;C=C(C#N)OC(C)OC=O;ZYFMMKBSBPYRFV-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262284;MM262284;C=COC(C)OC(=O)C=C;KCXKFEMQUHDXQC-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262285;MM262285;C=COC(C)OC(=O)C=O;VQZSKZBYXHCAPO-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262286;MM262286;CC(OC=O)OC(=O)C=O;BIGXJFVKSDMEHS-UHFFFAOYSA-N;146.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262287;MM262287;C=CCN(C)CC(=C)C#N;BJACIJQKJJJWPN-UHFFFAOYSA-N;136.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262288;MM262288;C=NOCC(=O)NC;COIZPIPQMSOIDQ-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262289;MM262289;OCC1=CC2NC2C1;OSZNLAQEVRQABD-UHFFFAOYSA-N;111.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262290;MM262290;CCC(O)CC(C)=NN;OTFPVYRLTJOUAL-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262291;MM262291;CCN=CNOC(N)=O;IDCHQGDKVGDWRT-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262292;MM262292;C=C(C=O)CN(C)N=CN;AZJTXVZDKITSJB-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262293;MM262293;C=CC(=O)CN(C)N=CN;PKXFUNBGYIGRCH-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262294;MM262294;C=CC(=N)NN(C)CC#N;SJPUEFMJOXWPQJ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262295;MM262295;NN=CCCC1(O)CC1;UKRLCILHLLXYHX-UHFFFAOYSA-N;128.18;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262296;MM262296;CN(CC#N)N=C(N)C=O;WQEZLTXVFQIUEP-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262297;MM262297;N#CC1CC(C(N)=O)N1;RCIGEGZBPVJROQ-UHFFFAOYSA-N;125.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262298;MM262298;CC12CC(CO)=CC1N2;JKHJQWGRPAZXJB-UHFFFAOYSA-N;125.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262299;MM262299;C=CC(=O)NN(C)CC#N;KSZMMHUAEXWYGL-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262300;MM262300;C=CCN(C)NC(=O)C#N;AIJGCFQMWDNMRE-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262301;MM262301;C#CCC(C)CC(=C)C=O;UDXILVAKHSAOGA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262302;MM262302;C#CCC(C)CC(=O)C=C;QBBWFENENCADIH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262303;MM262303;C#CCC(F)CC(=C)C=O;JDUYTYFFSYWHIA-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262304;MM262304;C#CCC(F)CC(=C)C#N;QKUVPLUNRAVWMO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262305;MM262305;C#CCC(C)NC(=N)C=C;ANLBRBGIDBJSMH-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262306;MM262306;C#CCC(C)NC(=O)C=O;CDBQHBAORPWQHM-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262307;MM262307;C#CCC(C)NC(=O)C#N;NUDRBQYFYBMVSH-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262308;MM262308;C#CCC(C)OC(=C)C=C;ZFAIEXNPPIMYMZ-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262309;MM262309;C#CCN(C)N=C(N)C=O;IVITZPNKYNJLBG-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262310;MM262310;C#CC(=C)CC(C)CCN;WMJGYFVQVMKAGB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262311;MM262311;N#CCC1NC1C(N)=O;KPNIDXFXJJIUCT-UHFFFAOYSA-N;125.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262312;MM262312;C#CC(=O)CC(C)CCF;XVDZSWXZTXYPEX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262313;MM262313;C#CC(=C)CC(N)CCO;SDDPQSIBOKWCFU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262314;MM262314;C#CC(=C)CC(N)CCF;OGNDXNVFOHDJAE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262315;MM262315;NN=C1CC=C(CO)C1;KOGKVJDKGHKLIO-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262316;MM262316;C#CC(=C)CC(O)CCN;NGNCMFPNPYVZLP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262317;MM262317;C#CC(=C)CC(O)CCO;KSRITKORVDMVCH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262318;MM262318;C#CC(=O)CC(O)CCC;FVRBXGZNCKJBTD-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262319;MM262319;C#CC(=C)CC(F)CCN;CNTLOMNBUIZEKC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262320;MM262320;C#CC(=C)CC(F)CCO;UYXIMAUOXZBFLB-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262321;MM262321;C#CC(=C)CC(F)CCF;HHWYVNZTBSQHRM-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262322;MM262322;C#CC(=O)CC(F)CCC;RJORCMUQBVYHOY-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262323;MM262323;C#CC(=C)CC(C)CNC;QRKGSTNADAGOHD-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262324;MM262324;C#CC(=C)CC(O)COC;TXXGGOHKAGPBMS-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262325;MM262325;C#CC(=O)CC(O)COC;LIZCWZWPVMZKHO-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262326;MM262326;C#CC(=N)NC(C)CCN;MQGOWXKOWNUGQO-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262327;MM262327;C#CC(=O)NC(C)CCC;BBRHKKFYHRDOIC-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262328;MM262328;C#CC(=O)NC(C)CCN;LQTCVZHORTUOMP-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262329;MM262329;C#CC(=O)NC(C)CCO;TYKHLGMHRMLQRH-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262330;MM262330;C#CC(=C)OC(C)CCF;JYPJOPKAHZMCOK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262331;MM262331;C#CC(=C)OC(C)CNC;AHUHQBLHRDYKBE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262332;MM262332;C#CC(=O)OC(C)CNC;LGPXARDRYGJVDK-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262333;MM262333;C#CC(=O)OC(C)OCC;MZLRCAJEIZNVJU-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262334;MM262334;CN1C2C=C(CO)CC21;DJZJQUIQVTWOSE-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262335;MM262335;C#CC(=N)NN(C)CCO;QLCDARKJZZRYFQ-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262336;MM262336;C#CC(=O)NN(C)CCC;ABLLKPBKJSUKLB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262337;MM262337;C#CC(=O)NN(C)CCO;WWJRFABCMXYDQR-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262338;MM262338;C#CC(=O)CC(C)CC=C;RVMXXFHGMYNIBC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262339;MM262339;C#CC(=O)CC(C)CC=O;QJWXYYCLXBMUGH-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262340;MM262340;C=C(CO)C(C)(C)C=NN;XLLHQUHZWYEHGA-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262341;MM262341;C#CC(=C)CC(O)CC=O;XSRWXTGEUBMYHO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262342;MM262342;C#CC(=C)CC(O)CC#N;MQDRSXIBEHKWLW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262343;MM262343;C#CC(=O)CC(O)CC=O;VAMOBYNHRZSGSL-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262344;MM262344;C#CC(=O)CC(O)CC#N;UQRXSGIFOSQUTP-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262345;MM262345;C#CC(=C)CC(F)CC=O;XBSCQSCHGFDNFJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262346;MM262346;C#CC(=O)CC(F)CC=C;OJVYRNPYHJGRPF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262347;MM262347;C#CC(=C)CC(C)NC=N;NDHPXRGHHUQSAC-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262348;MM262348;CNC(=O)CN(N)C(N)=O;CLZVQOKNBXZQKN-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262349;MM262349;C#CC(=C)CC(C)NN=C;HIONWUCWQYIQLO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262350;MM262350;C#CC(=O)CC(C)OC=O;PTJVBUGIVYGFQR-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262351;MM262351;C#CC(=C)CC(C)ON=C;VSGIORHMYVOUHA-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262352;MM262352;CC(CC1CC1(C)O)=NN;UUWQSCBFFBWBBB-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262353;MM262353;C#CC(N)=NC(C)CC=O;GEFNIHNLRMQUGL-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262354;MM262354;C#CC(=C)OC(C)CC=C;CLNDNSVZYQWAPL-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262355;MM262355;C#CC(=C)OC(C)CC=O;LNWHPFXEMZCRLA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262356;MM262356;C#CC(=O)OC(C)CC=C;BOLHLYMNMXZZBS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262357;MM262357;C#CC(=O)OC(C)OC=C;MQZGWKIHJQURNA-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262358;MM262358;CC(F)=C(C)N(N)C(N)=O;ZTEDZIMOPPZFPT-UHFFFAOYSA-N;147.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262359;MM262359;CCC(O)CC(C)=NOC;FPQMUAAFFJDMTO-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262360;MM262360;CC(C)=CN(N)C(=O)CF;GOGQGEPQTHYVKN-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262361;MM262361;C#CC(=O)CN(C)N=CN;IYBHCSYVQBPHRO-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262362;MM262362;C#CC(=O)CN(C)NC=O;WFRFAFJXNFZKNA-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262363;MM262363;C#CC(=O)NN(C)CC=O;QUYNZCNCAPJYPR-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262364;MM262364;C#CCC(C)CC(=C)C#C;ATJODUMHHGAFSM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262365;MM262365;CNN(C=C(C)F)C(N)=O;FRAQOENXBSDERK-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262366;MM262366;C#CCC(O)CC(=O)C#C;CJPJAUPRYCMQND-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262367;MM262367;C#CCC(F)CC(=C)C#C;CXSMNKIQAKNVKM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262368;MM262368;C#CCC(F)CC(=O)C#C;VGQHGLBNXYXPPU-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262369;MM262369;C#CCC(C)OC(=O)C#C;PLLQGYSUZRZAQN-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262370;MM262370;C=C(CCC)CC(C)CC;OHJYQJMAFPPQIG-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262371;MM262371;C=C(CCC)CC(C)CN;IVKMMBUWKMJTCJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262372;MM262372;C=C(CCF)CC(C)CN;SAWMCMQKEWEZMN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262373;MM262373;CCCC(O)CC=NNC;WLBNJNUPOFINMW-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262374;MM262374;CC=NN=CN(N)C(N)=O;UUHRRPUTWOHNLJ-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262375;MM262375;C=C(CCC)CC(C)CF;CVONGXWQMYGDPD-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262376;MM262376;C=C(CCN)CC(C)CF;QIFMLQGYESDGBK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262377;MM262377;C=C(C#CC)N(N)C(N)=O;APEGEOZVDCOWFZ-UHFFFAOYSA-N;139.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262378;MM262378;C=C(CCF)CC(C)CF;BHTMLMGWSDIHKH-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262379;MM262379;C=C(CCC)CC(N)CC;YPXKKXCEDXXCOS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262380;MM262380;C=C(CCN)CC(N)CC;IFYMIPDWIGIICV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262381;MM262381;C=C(CCF)CC(N)CC;NALZFZGDIVXWIL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262382;MM262382;C=C(CCC)CC(N)CN;BDVWWWUJPGLBON-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262383;MM262383;C=C(CCN)CC(N)CN;MTTDOXBZZVYECI-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262384;MM262384;C=C(CCF)CC(N)CN;SFBBPIODFURAPY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262385;MM262385;C=C(CCC)CC(N)CO;XKZVGTFWXCOUSB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262386;MM262386;C=C(CCN)CC(N)CO;FGTAJVPAULCXLH-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262387;MM262387;C=C(CCC)CC(N)CF;WERNRMMSRLKOIO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262388;MM262388;C=C(CCN)CC(O)CC;XCTACLBWWYAKGV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262389;MM262389;CC(=NC=N)N(N)C(N)=O;GDAIYNZJTDNLRJ-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262390;MM262390;CN(C)N(C=CF)C(N)=O;ASOREMZVEKCZEF-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262391;MM262391;C=C(CCC)CC(O)CN;LVLQXBDCWZAFMW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262392;MM262392;C=C(CCN)CC(O)CN;NUMCPIWFLBQHJN-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262393;MM262393;C=C(CCC)CC(O)CO;PDBISZCMHDPXHE-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262394;MM262394;C=C(CCN)CC(O)CO;KFCGMWNVVSOLHS-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262395;MM262395;C=C(CCO)CC(O)CO;DTPBTRKHGBHNMK-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262396;MM262396;C=C(CCC)CC(O)CF;HRSFSRQWXWVQOA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262397;MM262397;C=C(CCN)CC(O)CF;HZPPABUQWMPSEU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262398;MM262398;C=C(CCF)CC(O)CF;OSYXWHRAOSLLCH-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262399;MM262399;C=C(CCN)CC(F)CC;QSZADNBITKHQFA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262400;MM262400;C=C(CCO)CC(F)CN;JOKVQAHORZYEHO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262401;MM262401;C=C(CCN)CC(F)CO;XLZDGCVSRBFBJD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262402;MM262402;C=C(CCF)CC(F)CF;FPINXKQJXAWEDM-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262403;MM262403;CCCC(=O)CC(C)CC;DFFXAIUEWPSFQR-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262404;MM262404;CC(CF)CC(=O)CCF;WBMVEXCIPUQLEO-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262405;MM262405;CCC(O)CC(=O)CCO;ZYYDWYDTLNOCBE-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262406;MM262406;O=C(CCO)CC(O)CO;RTESPEIDNJCLBG-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262407;MM262407;O=C(CCO)CC(F)CO;YYQFFUZXTPRRTE-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262408;MM262408;C=C(CNC)CC(C)CC;RBWNLVYQHUQXHJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262409;MM262409;C=C(CNC)CC(N)CC;CCWONBDJLFVOOG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262410;MM262410;C=C(CNC)CC(N)CN;LYLHUDYXXRBHLN-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262411;MM262411;C=C(CNC)CC(N)CO;XDHACIKLCWPLIZ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262412;MM262412;C=C(CNC)CC(N)CF;SGBWXXKJGLHNAS-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262413;MM262413;C=C(CNC)CC(O)CN;MGZXERBRNHRQGN-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262414;MM262414;C=C(CNC)CC(O)CO;JTDKXYLWLNJVDX-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262415;MM262415;C=C(CNC)CC(O)CF;VFQNYCNJQXHKTO-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262416;MM262416;C=C(CNC)CC(F)CN;ZERGWTRLZVLMMA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262417;MM262417;C=C(CNC)CC(F)CO;WCQHPBUHAIUBRI-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262418;MM262418;CCC(C)CC(=O)CNC;PKULNADROFOGLX-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262419;MM262419;CCC(CC(O)CC)=NN;PFQDZKSVUZNUKE-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262420;MM262420;C=C(COC)CC(C)CF;RWWJOYSWDPAMJU-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262421;MM262421;C=C(COC)CC(N)CN;KUBRQOFLDTZUAA-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262422;MM262422;C=C(COC)CC(O)CN;IDISXWZSOUSGBM-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262423;MM262423;C=C(COC)CC(O)CO;WSYYNQXVYQPFPV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262424;MM262424;C=C(COC)CC(O)CF;NETLHQBEFGLZGF-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262425;MM262425;C=C(COC)CC(F)CN;NPCIOIMQEYOWFW-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262426;MM262426;C=C(COC)CC(F)CF;DLZGPVLRSSIMGN-UHFFFAOYSA-N;150.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262427;MM262427;C=C(CCC)CC(C)NC;NATVTCVJQHQPNU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262428;MM262428;C=C(CCF)CC(C)NC;ALYLYMBJDZTILO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262429;MM262429;CCCC(=O)CC(C)NC;KZYXQROJLZVPTB-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262430;MM262430;C=C(COC)CC(C)NC;JBLYCEWSPVTCEP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262431;MM262431;C=C(CCN)CC(C)OC;XDNTZHYDEYBDEK-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262432;MM262432;CC=C(CO)CC(C)=NN;NXDXLOBFGWTMMK-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262433;MM262433;CCCC(=O)CC(C)OC;DTHPGVOLCGMIBQ-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262434;MM262434;COC(C)CC(=O)CCO;SEXHVAOZYBYGJG-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262435;MM262435;C=C(CNC)CC(C)OC;JSYFCCPXWWUXHR-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262436;MM262436;CCNC(=N)CC(N)CN;XLCHPXUHGUQJGZ-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262437;MM262437;CCNC(=N)CC(O)CC;YBJVNNOKZLEVGZ-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262438;MM262438;CCNC(=N)CC(F)CO;HJJFJZGTOSQDCQ-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262439;MM262439;CCNC(=O)CC(O)CF;PHAZTZNUYOGPSA-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262440;MM262440;CCNC(=O)CC(F)CC;UYPDETZEAINFBG-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262441;MM262441;CCC1(C#N)NC1C(N)=O;GPILDEXFLBNHEZ-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262442;MM262442;CCC(O)CC(=N)NOC;JVMJESUYPKGDME-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262443;MM262443;CONC(=N)CC(F)CF;VXXJKQQDHLGNJN-UHFFFAOYSA-N;152.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262444;MM262444;CCC(N)CC(=O)NOC;RIMOLCYNDPFYCZ-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262445;MM262445;CCNC(=N)CC(C)NC;WXTBQCJYSFBDHO-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262446;MM262446;CNC(C)CC(=N)NOC;VWZWWOTXXIMDQE-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262447;MM262447;CNC(C)CC(=O)NOC;OASRAZNVBCAOHL-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262448;MM262448;CONC(=O)CC(C)OC;SKTALXUMLAATPR-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262449;MM262449;C=C(CC(N)CN)OCC;PYZGYOQVMSUNDA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262450;MM262450;CCOC(=O)CC(C)CN;WDSJSQKWRWJLCD-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262451;MM262451;CCOC(=O)CC(C)CO;MYMVLVDELOCLIK-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262452;MM262452;CCOC(=O)CC(N)CC;OKIYALVMFMZSLV-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262453;MM262453;CCOC(=O)CC(F)CN;PNIAIEMEJIGELF-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262454;MM262454;CCCC(=N)NC(C)CC;KXRJIVXJNXGHJO-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262455;MM262455;CCCC(=N)NC(C)CO;CFVITLDYXQHRHT-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262456;MM262456;CCCC(=N)NC(C)CF;LCEFIKGCTDMRAU-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262457;MM262457;N#CC(F)C(=N)NCCO;ZZWPCHZUDKSSRO-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262458;MM262458;CCCC(=O)NC(C)CN;IAQAQXTWVLUFFU-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262459;MM262459;CNCC(=N)NC(C)CO;BAWQZEMBXQJDOA-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262460;MM262460;COCC(=N)NC(C)CN;MWZOQORERUBOAO-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262461;MM262461;CCNC(=N)NC(C)CC;SWIMSTFTYPNPAZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262462;MM262462;CCNC(=N)NC(C)CO;HRYXHKPWHCACQP-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262463;MM262463;CCNC(=N)NC(C)CF;KLEIPDYSXRMYDL-UHFFFAOYSA-N;147.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262464;MM262464;CCNC(=O)NC(C)CO;FJAIFCYIKCZCKA-UHFFFAOYSA-N;146.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262465;MM262465;CNNC(=N)NC(C)CN;SNPMMSCTNWKDHD-UHFFFAOYSA-N;145.21;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262466;MM262466;CNNC(=N)NC(C)CO;XYTPYWNTUZYCQT-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262467;MM262467;CNNC(=O)NC(C)CN;SITXPAHHDUYLJM-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262468;MM262468;CON=COCC(=O)CF;BKXQLNPSJHNEKI-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262469;MM262469;CCC(C)NC(=N)NOC;XSXJZBLHIJWBAC-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262470;MM262470;CONC(=N)NC(C)CO;AGTJXPURWJSYIH-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262471;MM262471;CCC(C)NC(=O)NOC;KCLAUPJLTRHGHM-UHFFFAOYSA-N;146.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262472;MM262472;CONC(=O)NC(C)CO;PKTCJSMJGKTKOY-UHFFFAOYSA-N;148.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262473;MM262473;CCOC(=O)NC(C)CO;RKYXSMCBIDZVQU-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262474;MM262474;C=C(CCC)OC(C)CC;OOVVAKSEUCZAJY-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262475;MM262475;C=C(CCF)OC(C)CN;JQCKRNDJSGVTQU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262476;MM262476;C=C(CCC)OC(C)CF;FZWFTVBPRDTCCK-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262477;MM262477;CCC(C)OC(=O)CCN;OJGPAKJGUGWDIT-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262478;MM262478;CCCC(=O)OC(C)CN;GOIQRTPIMOMQDS-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262479;MM262479;CC(CN)OC(=O)CCN;ALNYWNNZTATEGR-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262480;MM262480;CC(CO)OC(=O)CCO;MJJWXSWGOFHONA-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262481;MM262481;CNCC(=O)OC(C)CN;FDIZBSWEIRJJBX-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262482;MM262482;CCNC(=N)OC(C)CC;NLTQEKGMKORJDY-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262483;MM262483;C#CC(NN=C)C(=O)NC;NBGJZCMTPCNCTC-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262484;MM262484;CCOC(=O)OC(C)CC;KMIKGMBRCMHTMM-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262485;MM262485;CCOC(=O)OC(C)OC;HFRARHVBRDPKDG-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262486;MM262486;C=C(CCC)CN(C)CC;LBHJCOWARGTEQS-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262487;MM262487;C=C(CCF)CN(C)CC;NGTDCLLEVMZJJO-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262488;MM262488;CCNC(=N)CN(C)CC;OYPIHUWVQPAHSV-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262489;MM262489;CCCC(=N)NN(C)CC;CYJVTKFVESCFQA-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262490;MM262490;CCN(C)NC(=N)CCF;HZWOLOHSDNDNJA-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262491;MM262491;CCN(C)NC(=O)CCF;NVHUXJYUXDAJDJ-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262492;MM262492;CCN(C)NC(=N)COC;AFRMIBGDXAZJPK-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262493;MM262493;CCN(C)NC(=O)COC;UADMTWZHPVZLNX-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262494;MM262494;C=C(CC=O)CC(C)CC;GNVNUYKCPXBRQT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262495;MM262495;C=CC(C=NN)C(=C)CO;JJQKWXOUVPUZRX-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262496;MM262496;N=CN(C=CCO)C(N)=O;OFFMKUGEGGMPEF-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262497;MM262497;CN1C2C=C(CO)CC21C;BMSIOOWDXVVYMQ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262498;MM262498;C=CCC(=C)CC(C)CF;KPEZMIFAPVKOJJ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262499;MM262499;C=C(CC#N)CC(C)CF;SOASYTNVEFMVSE-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262500;MM262500;C=CCC(=C)CC(N)CF;GMALASNCEBNOSK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262501;MM262501;C#CC(CO)CC=NNC;ITCDMGWDSINMKL-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262502;MM262502;CC=C(CO)CC=NNC;QSQJYIRQDJVXKD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262503;MM262503;C=NNCC=C(CC)CO;VUTIMEHXONOWNR-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262504;MM262504;C=CCC(=C)CC(O)CN;PYGICBQWDBUEDK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262505;MM262505;C=C(CC#N)CC(O)CO;MSZUZZSCTAEJSM-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262506;MM262506;C=CCC(=C)CC(O)CF;VRBBISGFVOICSG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262507;MM262507;C=C(CC#N)CC(O)CF;PJXPWICVIUTEOF-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262508;MM262508;C=CCC(=C)CC(F)CC;MCHSNAGZKYWRMI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262509;MM262509;C=C(CC=O)CC(F)CC;MJKUZNWFITWPLU-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262510;MM262510;C=CCC(=C)CC(F)CN;IIENQWUQVZGDKP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262511;MM262511;C=CCC(=C)CC(F)CO;AMWFKOVVOMLPFA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262512;MM262512;C=C(CC#N)CC(F)CO;UXVFRTBGJUNNDJ-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262513;MM262513;C=CCC(=O)CC(C)CC;XHXXPFYLBIMEDM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262514;MM262514;C=CCC(=O)CC(C)CF;BOEJPEMFDYYJST-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262515;MM262515;C=CCC(=O)CC(O)CC;YIHQHIAWWUORKT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262516;MM262516;N#CCC(=O)CC(O)CO;GCKFBPOEXWUQIE-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262517;MM262517;C=CCC(=O)CC(O)CF;IOEAQTSUJBZVTN-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262518;MM262518;C=CCC(=O)CC(F)CC;UMPZXCPKYPKGFH-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262519;MM262519;C=CCC(=O)CC(F)CO;QRIUAMNDOOMNRL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262520;MM262520;C=CCC(=C)CC(C)NC;VCYLCSYPPFCIIQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262521;MM262521;C=C(CC=O)CC(C)NC;IMAXGVIFKFCCEN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262522;MM262522;C=C(CC#N)CC(C)NC;IVLHXEZYJJFXIW-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262523;MM262523;C=CCC(=O)CC(C)NC;QSMVQKGXWHLUGS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262524;MM262524;C=CCC(=C)CC(C)OC;RQRIDCRQBAWVAD-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262525;MM262525;C=C(CC=O)CC(C)OC;WNPAAZIZQGGEGA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262526;MM262526;C=C(CC#N)CC(C)OC;ISBUFXMWOFSOKS-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262527;MM262527;C=CCC(=O)CC(C)OC;CLZGETXJIJLTHU-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262528;MM262528;C=C(CC(C)CC)NC=N;ZQYICMLVEABOMI-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262529;MM262529;C=C(CC(C)CF)NC=N;AENOETRTEBMLSG-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262530;MM262530;C=C(CC(C)CF)NC=O;IAJQKDPGERWTCD-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262531;MM262531;C=C(CC(O)CC)NC=O;ZPQHELPEZDGIJX-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262532;MM262532;C=CNC(=N)CC(C)CN;DTPMELLGWXZCQH-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262533;MM262533;C=CNC(=N)CC(N)CN;NJIZFYUXKPLAPD-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262534;MM262534;N=CNC(=N)CC(N)CO;OSUOVYDEPKMFPH-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262535;MM262535;N=CNC(=N)CC(N)CF;MOZONVODRPGNSY-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262536;MM262536;C=CNC(=N)CC(O)CN;YQLCJKGODFJHKY-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262537;MM262537;C=CNC(=N)CC(O)CO;ZJXBCDFTUDMVCQ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262538;MM262538;C=NOCC=C(CC)CO;QTUYSZRVOQRMEK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262539;MM262539;N=CNC(=N)CC(F)CO;KYJZINCZPPVGCO-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262540;MM262540;C=CNC(=O)CC(C)CC;IQHXVLAUPFWZEQ-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262541;MM262541;C=CNC(=O)CC(C)CN;XWSHDJIQWOSOLT-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262542;MM262542;CC(CN)CC(=O)NC=O;AZNVHGPAUJUHKN-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262543;MM262543;CC(NC=O)C1(C#N)CN1;LSAVGQPFTVOJCU-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262544;MM262544;C=CNC(=O)CC(N)CC;SCUPBUQVIWQOMZ-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262545;MM262545;CCC(=CC1CN1C)CO;YZOQWJHPGRZYHK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262546;MM262546;C=CNC(=O)CC(O)CO;QLCNXBOVEHVCJD-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262547;MM262547;CCC12CC(CO)=CC1N2;HHTFYHVAEQARCT-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262548;MM262548;O=CNC(=O)CC(O)CO;WVHMTBPMEQTAIQ-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262549;MM262549;C=NNC(=O)CC(C)CF;GBQPDZWWKVNCPS-UHFFFAOYSA-N;146.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262550;MM262550;C=NNC(=O)CC(N)CC;XRHFUYHWJXMZSB-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262551;MM262551;C=NNC(=O)CC(F)CC;MJGVSMIDTNTYDV-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262552;MM262552;C=C(CC(C)NC)NC=O;HIDNGRSIDSWXTC-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262553;MM262553;C=CNC(=N)CC(C)NC;WHCARFVPQHQMRH-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262554;MM262554;CNC(C)CC(=O)NC=N;SLIFXRJMMKEAKQ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262555;MM262555;C=NNC(=N)CC(C)NC;BETGJNXQNCMPNJ-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262556;MM262556;C=NNC(=O)CC(C)NC;GKFZTZVGYFOKPF-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262557;MM262557;C=C(CC(C)OC)NC=N;JTKBPXJEDJSEKF-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262558;MM262558;COC(C)CC(=N)NC=N;QHZYYSAZLBFARM-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262559;MM262559;C=CC12CC(CO)=CC1N2;FYMWQJRXUXDCHM-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262560;MM262560;C=C(CC(C)CO)OC=O;JMCLTZLIAFUJHB-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262561;MM262561;C=C(CC(C)CF)OC=O;HCDIMYWLGKJKGY-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262562;MM262562;C=COC(=C)CC(N)CC;TYMNBWIGINUTIB-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262563;MM262563;C=C(CC(N)CC)OC=O;LWOQZWXJUHPQCC-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262564;MM262564;C=C(CC(N)CN)OC=O;XJSUKQUOHWYWCU-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262565;MM262565;C=C(CC(N)CO)OC=O;MHSOHYDHDRIBSI-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262566;MM262566;C=C(CC(N)CF)OC=O;SNILOUBQVDXIDI-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262567;MM262567;C=C(CC(O)CC)OC=O;RFKGQWZDRWBQIQ-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262568;MM262568;C=C(CC(F)CC)OC=O;SAJJHSQYSQCPCT-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262569;MM262569;C=C(CC(F)CN)OC=O;PRHFQNAZCUBHSZ-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262570;MM262570;C=COC(=O)CC(N)CN;PCVQMISOPCUQDH-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262571;MM262571;C=COC(=O)CC(N)CO;LSKPREMQBOSADH-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262572;MM262572;O=CC12CC(CO)=CC1N2;LSUXHSZMBARNGT-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262573;MM262573;N#CC12CC(CO)=CC1N2;CZVKGKNLVOLZIG-UHFFFAOYSA-N;136.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262574;MM262574;C#CC12CC(CO)=CC1N2;ZNHXRUBCXILGGK-UHFFFAOYSA-N;135.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262575;MM262575;C=C(CC(C)NC)OC=O;YFYUSTTZLNYKGC-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262576;MM262576;C=COC(=O)CC(C)NC;DDWRMQZLFKFWPU-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262577;MM262577;C=CCC(=N)NC(C)CC;ZZXISZMOBMCBKS-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262578;MM262578;C=CCC(=O)NC(C)CC;VCGLVKJVLICSGS-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262579;MM262579;CC(CO)NC(=O)CC#N;HFDSJXWTIJLDGS-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262580;MM262580;C=CNC(=N)NC(C)CC;MLKIGTJWPLCQDY-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262581;MM262581;CCC(C)NC(=N)NC=N;KJFBJWKJIZPKOX-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262582;MM262582;CCC(C)NC(=N)NC=O;QBYZBYWDHOWUDV-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262583;MM262583;CC(CN)NC(=N)NC=N;UGAUCPBWINTSLS-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262584;MM262584;CC(CO)NC(=N)NC=N;FZGDRGPDASWEBC-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262585;MM262585;CC(CO)NC(=N)NC=O;YKGLAPKVLKCUIA-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262586;MM262586;CC(CN)NC(=O)NC=N;QDTNADHMPLLPFJ-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262587;MM262587;C=CNC(=O)NC(C)CO;JFMWGFBCCAQYLT-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262588;MM262588;Cc1c(N=N)c[nH]c1CF;TUDAZOMUTWOOGT-UHFFFAOYSA-N;141.15;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262589;MM262589;C=NNC(=N)NC(C)CN;QYOIAEMMISBBTF-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262590;MM262590;C=Cc1[nH]cc(NO)c1C;XNFOJJZXMQKCIU-UHFFFAOYSA-N;138.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262591;MM262591;CNc1[nH]cc(CO)c1C;AYBJBKPFMAWMCN-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262592;MM262592;C=C(CC=O)OC(C)CC;WTBMCHOVZVAXDW-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262593;MM262593;C=C(CC#N)OC(C)CC;LQRPUIOMLBCRHS-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262594;MM262594;C=CCC(=C)OC(C)CF;SAFCBTIQIPVTDD-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262595;MM262595;C=C(CC=O)OC(C)CF;QNYLYMNXFJSVDS-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262596;MM262596;C=CCC(=O)OC(C)CC;NWCFRHINQXDFIJ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262597;MM262597;C=CCC(=O)OC(C)CO;QNEVLGWWHKHNHW-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262598;MM262598;CC(CO)OC(=O)CC=O;UWFDVEMSKSKDOL-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262599;MM262599;C=CCC(=C)OC(C)OC;FCCDNGZRVJOAQY-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262600;MM262600;C=CCC(=O)OC(C)OC;LITUVDPLHKYUPT-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262601;MM262601;C=C(NC=N)OC(C)CC;UKDJKFGTIMFJST-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262602;MM262602;C=C(NC=O)OC(C)CC;FWYNKLPBOITNOY-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262603;MM262603;C=C(NC=N)OC(C)CO;JIAHZQXQOKSAFF-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262604;MM262604;C=C(NC=O)OC(C)CF;XAUASBMCESQGNT-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262605;MM262605;CC(CN)OC(=N)NC=O;APFKBJQHLBAGND-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262606;MM262606;CC(CO)OC(=N)NC=O;OBOHVNFZINFFIO-UHFFFAOYSA-N;146.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262607;MM262607;CC(CN)OC(=O)NC=N;IBPAPQDVKADQNY-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262608;MM262608;CC(CO)OC(=O)NC=N;UFQJIWIPMDHLJP-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262609;MM262609;C=NN1CC=C(CO)CC1;MYGKZXFSTFBIJO-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262610;MM262610;C=COC(=O)OC(C)CC;TXDHLUGBRVJABC-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262611;MM262611;C=COC(=O)OC(C)OC;WZUPYSIPRRYGQT-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262612;MM262612;C=NOC(=O)OC(C)OC;HYIWNDHZULRIDR-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262613;MM262613;C=CCC(=C)CN(C)CC;BVLGDSOAEXOKBE-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262614;MM262614;C=C(CC=O)CN(C)CC;RGOFJIZWGWHDFZ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262615;MM262615;CCN(C)CC(=N)NC=N;HPFXYAOZRJIAAR-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262616;MM262616;CCN(C)NC(=O)CC=O;RGYVQLHMUMNBGJ-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262617;MM262617;CCC(=CCN1CC1)CO;OXCNBTONQJYDPK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262618;MM262618;CCN(C)NC(=O)NC=O;WBWLEYDUNPLTSO-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262619;MM262619;C=NNC(=N)NN(C)CC;CCMNGXLCVZKREC-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262620;MM262620;C=NNC(=O)NN(C)CC;PULBJWPTWLDZDF-UHFFFAOYSA-N;144.18;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262621;MM262621;CCN1C2C=C(CO)CC21;QSRNZLSOFPYGBU-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262622;MM262622;C=NOC(=O)NN(C)CC;RCMZARGCWZAAQR-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262623;MM262623;C#CCC(=C)CC(C)CC;AKNBYWYAEVIJJE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262624;MM262624;C#CCC(=C)CC(C)CN;CQLHRTQRXSNCBG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262625;MM262625;C=NN1C2C=C(CO)CC21;VSBKDMCPHPHTDJ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262626;MM262626;C#CCC(=C)CC(N)CC;HOJYSGQHSHYBGO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262627;MM262627;C#CCC(=C)CC(N)CO;NPHFRGCEBQMUEY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262628;MM262628;C#CCC(=C)CC(N)CF;GLPBIZJXDNLCQU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262629;MM262629;NN=CCOC(N)=O;RSDPEDFVKIGBIK-UHFFFAOYSA-N;117.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262630;MM262630;C#CCC(=C)CC(O)CN;KLHJJPIWHNWWPT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262631;MM262631;C#CCC(=C)CC(F)CC;DJOQBRDHSWKHLM-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262632;MM262632;C#CCC(=C)CC(F)CN;UGNUMNDZHGMCGC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262633;MM262633;C#CCC(=C)CC(F)CF;ITBVTIYALTZHQC-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262634;MM262634;C#CCC(=O)CC(C)CC;LHKCIEFBWRBWTL-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262635;MM262635;C#CCC(=O)CC(O)CO;YAMFLWVYPIQSPE-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262636;MM262636;C#CCC(=O)CC(O)CF;XYZPRUHSCRGNHE-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262637;MM262637;C#CCC(=C)CC(C)NC;CUTARHAKBPEENN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262638;MM262638;C#CCC(=C)CC(C)OC;QSPAFZHOFUMUHQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262639;MM262639;C#CCC(=O)CC(C)OC;DTFIECQVKPFPQE-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262640;MM262640;C#CCC(=N)NC(C)CC;HRFRSCAQIDZGKE-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262641;MM262641;C#CCC(=O)NC(C)CN;GIFPDCJMUYWZQN-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262642;MM262642;C#CCC(=C)OC(C)CC;OUHQQEFJBQXMMZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262643;MM262643;C#CCC(=C)OC(C)CN;UKRSTYXDFQWBHB-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262644;MM262644;C#CCC(=C)OC(C)CO;JIEAZQTZMUFCME-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262645;MM262645;C#CCC(=C)OC(C)OC;BUIVEPCAPMYPRD-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262646;MM262646;C#CCC(=O)OC(C)OC;FDMWIFYJYOLRRD-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262647;MM262647;C=CC(C)CC(=C)CCN;WLXSOSNGHAJMOZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262648;MM262648;NN=CN(N)C(N)=O;VVYQIZUVPGQNES-UHFFFAOYSA-N;117.11;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262649;MM262649;C=C(CCC)CC(C)C=O;HGSQBTAIZFYJAK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262650;MM262650;C=C(CCC)CC(C)C#N;YVAJPMIZDPTFNI-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262651;MM262651;CCC(O)CC=NN;CYKAEXDMAGPZBH-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262652;MM262652;CN1C2CC(O)CC21;NJKWIMLRAMMMNO-UHFFFAOYSA-N;113.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262653;MM262653;C=C(CCF)CC(C)C=O;KJCCASHFXKANFU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262654;MM262654;NC(=O)CN(N)C(N)=O;FTLVOEIHSLAUOS-UHFFFAOYSA-N;132.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262655;MM262655;CON(C)C(=N)C(N)=O;VOJLLKAKFJWPIU-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262656;MM262656;C=C(CCF)CC(O)C=O;ZEMDFOUYWUOBEK-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262657;MM262657;NC(=O)N(N)C=CCF;WXBLYJYQMAYECS-UHFFFAOYSA-N;133.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262658;MM262658;C=C(CCC)CC(F)C=O;AVTBTVMZFITRKK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262659;MM262659;C=C(CCF)CC(F)C=O;OYDBVXFXCDZKLP-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262660;MM262660;C=C(CCF)CC(F)C#N;UZLLEOWBWPPBKM-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262661;MM262661;C=CC(C)CC(=O)CCF;UKUCJMPZSNVYCV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262662;MM262662;CCCC(=O)CC(C)C=O;UCIXNVMLAZJQRR-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262663;MM262663;C=CC(O)CC(=O)CCC;YQKAWALPGJBXPQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262664;MM262664;C=CC(O)CC(=O)CCF;OMPVRDYVEITIFR-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262665;MM262665;CCCC(=O)CC(O)C#N;ORZADSSMCICXOP-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262666;MM262666;O=CC(O)CC(=O)CCO;HPXZKKFBTJNMNG-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262667;MM262667;N#CC(O)CC(=O)CCO;WARIVEGGCKMWQU-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262668;MM262668;C=CC(F)CC(=O)CCO;VBSXUVGDSQKPFC-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262669;MM262669;CCCC(=O)CC(F)C#N;FPWCXEATAUBLGS-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262670;MM262670;N#CC(F)CC(=O)CCO;JZBSXKCTWIPTHO-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262671;MM262671;C=CC(C)CC(=C)CNC;QTKDWZCYRYBHRQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262672;MM262672;C=CC(O)CC(=C)CNC;XUPJUBNPZXFRLY-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262673;MM262673;C=C(CNC)CC(O)C#N;LJDKMQKGVZVRIV-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262674;MM262674;C=CC(F)CC(=C)CNC;SRDXMZHTBQWLMB-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262675;MM262675;C=C(CNC)CC(F)C=O;BHWBRJXXMVVJKH-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262676;MM262676;C=CC(C)CC(=O)CNC;WPPOHAXGFMFMMF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262677;MM262677;CNCC(=O)CC(C)C=O;YBFGJGFNFKMTAJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262678;MM262678;C=CC(F)CC(=O)CNC;CROZWAUBSOLMER-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262679;MM262679;CNCC(=O)CC(F)C#N;KUVWVXJCSJMSNN-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262680;MM262680;C=C(COC)CC(O)C=O;YARBVVDHBJSNLP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262681;MM262681;C=C(COC)CC(F)C#N;YUEKOZJBCUTBMY-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262682;MM262682;C=CC(C)CC(=O)COC;FJLNGRDAAQBCFK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262683;MM262683;COCC(=O)CC(C)C#N;BLKVZVSEDCGXAB-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262684;MM262684;C=CC(C)CC(=N)NCC;QJDYEYIOPWMVBW-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262685;MM262685;CCN=C(N)CC(C)C=O;GEGGCXFRNOTGLH-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262686;MM262686;CCNC(=N)CC(C)C#N;GWERNGVHPRBMLN-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262687;MM262687;C=CC(N)CC(=N)NCC;LKWAMEVSHFXJJN-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262688;MM262688;C#CC=CN(N)C(N)=O;JOSZVZQZJOHCKU-UHFFFAOYSA-N;125.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262689;MM262689;CCNC(=O)CC(C)C#N;WOOWRDKPPRGOOB-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262690;MM262690;C=CC(N)CC(=O)NCC;FXCSIHYXBXGBCQ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262691;MM262691;CCNC(=O)CC(O)C=O;KSXPOYMXZBRSBJ-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262692;MM262692;CNN=C(N)CC(O)C=O;YWNYTZVTOLHZAR-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262693;MM262693;CNNC(=N)CC(O)C#N;SCQVQRTWASJWEQ-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262694;MM262694;CCC(O)CC=NOC;QWROUFXADQPUSU-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262695;MM262695;C=C(CO)CC=NNC;BPIDAHHQXRASOF-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262696;MM262696;CONC(=O)CC(C)C#N;ZJXSBDKFGSXEIB-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262697;MM262697;C=C(CC(O)C#N)OCC;MWRRIUZEJUDEFA-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262698;MM262698;CCOC(=O)CC(C)C=O;PTVUASUIMPCWSD-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262699;MM262699;CCOC(=O)CC(C)C#N;HNRANOZSFPYDHH-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262700;MM262700;C=CC(O)CC(=O)OCC;QTFCTAJBDSTPSR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262701;MM262701;CCOC(=O)CC(O)C=O;MBJGAFNZSBVSFN-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262702;MM262702;CCOC(=O)CC(O)C#N;XWYWOPKTNJPXHY-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262703;MM262703;CCCC(=N)NC(C)C=O;NQQWRWUSXUAHHN-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262704;MM262704;CC(C=O)N=C(N)CCO;FRVFWUHNTSAUIA-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262705;MM262705;CC(C#N)NC(=N)CCO;QXPCXWAPHUYFKR-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262706;MM262706;C=C(CO)CC=NOC;KENOVPXSYOFIQQ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262707;MM262707;CCCC(=O)NC(C)C#N;KGOOITZPOCRMRB-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262708;MM262708;CC(C=O)NC(=O)CCO;NLIUZZDSAGWIJM-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262709;MM262709;C=CC(C)NC(=N)CNC;GRMXVHWAEKEXMY-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262710;MM262710;CNCC(=O)NC(C)C#N;YJCHPSZXMMKRIR-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262711;MM262711;COCC(=N)NC(C)C=O;VHQHVIFWCIPEST-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262712;MM262712;COCC(=O)NC(C)C=O;CFXTXGUCICVAEX-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262713;MM262713;C=CC(C)NC(=N)NCC;UPDWOSUQZKJCRR-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262714;MM262714;CCNC(=N)NC(C)C=O;VCGMRNOATNORKK-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262715;MM262715;C=CC(C)NC(=O)NCC;WWSFWPXVYXGSHZ-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262716;MM262716;CCNC(=O)NC(C)C=O;UPXJBNPIHNTNGH-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262717;MM262717;CNNC(=N)NC(C)C=O;MUGWCIRYZBVUOE-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262718;MM262718;C=NNCC=C(C)CO;QHTXHNCKROHURM-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262719;MM262719;CONC(=N)NC(C)C=O;JEADCMAQIBDUHK-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262720;MM262720;CONC(=O)NC(C)C=O;MDBKOGPIIXWKRL-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262721;MM262721;CCOC(=O)NC(C)C=O;FSANJOZHOFDHFY-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262722;MM262722;C=CC(C)OC(=C)CCC;JJMTZLVIXSMNHD-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262723;MM262723;C=CC(C)OC(=C)CCN;ARUQGQFXEYSSTG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262724;MM262724;C=C(CCC)OC(C)C=O;HUDLRUZHOPIFCV-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262725;MM262725;C=C(CCO)OC(C)C#N;QCVSRFACPDOJIN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262726;MM262726;C=CC(C)OC(=O)CCF;XRMJHWBTQZZBIM-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262727;MM262727;CCCC(=O)OC(C)C=O;JXOVRINZELLEBR-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262728;MM262728;CC(C=O)OC(=O)CCO;YCCFKOVYQMSWPM-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262729;MM262729;C=C(COC)OC(C)C=O;HMTWYRJUNNBLOC-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262730;MM262730;C=C(COC)OC(C)C#N;WRPCUFUCAHMBNT-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262731;MM262731;COCC(=O)OC(C)C=O;KACUTMKMRIGDMF-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262732;MM262732;CCNC(=O)OC(C)C=O;TXOGIADHXIRPHY-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262733;MM262733;CONC(=O)OC(C)C=O;ZGADSEXNOZKGPV-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262734;MM262734;C=CC(C)OC(=O)OCC;MKNRKMINSCBDEX-UHFFFAOYSA-N;144.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262735;MM262735;C=C(CCC)CN(C)C=N;YKIYDABCABFZDI-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262736;MM262736;C=C(CCF)CN(C)C=N;LQIPYTIBJYVAOE-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262737;MM262737;C=C(CCF)CN(C)C=O;QTUUATANAJLFLA-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262738;MM262738;C=C(CCO)CN(N)C=N;KYHHGYIRHBWWMS-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262739;MM262739;C=C(CCF)CN(N)C=N;WJZVQBBJRMZUDG-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262740;MM262740;C=C(CCC)CN(N)C=O;GZJSOCDCHQNFQF-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262741;MM262741;C=C(CO)C(C)C=NN;XSTIHWLERYYQEY-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262742;MM262742;C=C(CCF)CN(N)C=O;NNVANZAPJABBDF-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262743;MM262743;CN(C=N)CC(=O)CCF;FIEUEESOCJJSHU-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262744;MM262744;C=C(CNC)CN(C)C=O;WLHWXJPZWSTBTO-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262745;MM262745;C=C(CNC)CN(N)C=N;MBQICPRVRMEBKH-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262746;MM262746;C=C(CNC)CN(N)C=O;YXCDDIWLHHTAAN-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262747;MM262747;C=C(CNC)CN(O)C=N;FOHFBMOGWALAAW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262748;MM262748;C=C(COC)CN(N)C=O;OPXGNZWJKDZUSD-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262749;MM262749;COCC(=O)CN(C)C=N;YCWJMLWGEWBZQK-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262750;MM262750;N=CN(CC=O)C(N)=O;CZELQNLGCJMXCV-UHFFFAOYSA-N;129.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262751;MM262751;C=NN(C)CC(=C)CCC;ZFKCCNIXMXIQHA-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262752;MM262752;C=NN(C)CC(=C)CCF;HVHDXTANFZPNNM-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262753;MM262753;C=NN(C)CC(=C)COC;SNNJEAAJPSFXSF-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262754;MM262754;CNNC(=N)CN(N)C=O;SYRJWRWOKKOFOA-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262755;MM262755;CNNC(=N)CN(O)C=N;UDTVJXCFUDXDFY-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262756;MM262756;CC(=CC1CN1C)CO;OJKMDTXUVWOXFG-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262757;MM262757;Nc1cnc(=O)[nH]c(=O)n1;LZJQPJONMWYQSU-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262758;MM262758;CC(=CC(=O)O)C(O)CF;HXIOIWIYJAWAHJ-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262759;MM262759;C#CCC(C)(O)CC(=O)O;PVYBQYGLONXFQQ-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262760;MM262760;C=NN(C)CC(=N)NCC;ITQXPMFTARQQDW-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262761;MM262761;C=NN(C)CC(=N)NNC;NIBDPGVQKZQBDU-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262762;MM262762;C=C(CN(C)C=N)OCC;DWEPAIMRYFCMIX-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262763;MM262763;C=C(CN(C)C=O)OCC;UCENSMZXWGLOLX-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262764;MM262764;C=C(CN(N)C=N)OCC;AAYNXZOZIDPDHD-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262765;MM262765;CCOC(=O)CN(C)C=N;MOEQHIFLHQEMSN-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262766;MM262766;CCOC(=O)CN(C)C=O;NIKQGOWFFADOLO-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262767;MM262767;C=NN(C)CC(=C)OCC;JETZVJFEUDYDPJ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262768;MM262768;CCCC(=N)NN(C)C=N;JKMCSBFNDRZUOU-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262769;MM262769;CN(C=N)NC(=N)CCO;SKVCYOGUFSFOJV-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262770;MM262770;CCCC(=N)NN(C)C=O;PZLYFXRSHZUGDL-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262771;MM262771;CCCC(=O)NN(C)C=N;YLAVFNRVTNSOTH-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262772;MM262772;CCCC(=O)NN(C)C=O;OWUFHGMGLQDQHK-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262773;MM262773;CN(C=O)NC(=O)CCO;PZRASHHHHAYRNZ-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262774;MM262774;COCC(=N)NN(C)C=O;ARBOKMVBMSXUGI-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262775;MM262775;COCC(=O)NN(C)C=N;FTCPJSMTIHMHGL-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262776;MM262776;COCC(=O)NN(C)C=O;RANVEIQCUACZCP-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262777;MM262777;CCNC(=N)NN(C)C=N;PPQVXGVRSQBLPZ-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262778;MM262778;CONC(=N)NN(C)C=O;UVZFKRZDHWTJRV-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262779;MM262779;CONC(=O)NN(C)C=N;RFWMYSSMAQVOLO-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262780;MM262780;CN(C=O)OC(=O)CCO;DZJOKUILOUXREV-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262781;MM262781;Cc1c(CO)c[nH]c1N;OICWXLHLGQYULA-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262782;MM262782;C=CCC(=C)CC(C)C=C;XXKIYPCUOAILLL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262783;MM262783;C=CC(C)CC(=C)CC=O;GLQHOKRQTSPCIJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262784;MM262784;C=CC(C)CC(=C)CC#N;AYGDNIAKYCRMCE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262785;MM262785;C=CCC(=C)CC(C)C=O;SWBFOJOIXWLOTQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262786;MM262786;C=CCC(=C)CC(C)C#N;FGTFQSGIXBYXFL-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262787;MM262787;C=C(CC=O)CC(C)C=O;MUTWJLBBMSEWTF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262788;MM262788;C=C(CC#N)CC(C)C=O;QSHRKCVFLIZMCX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262789;MM262789;C=C(CC=O)CC(C)C#N;NQNXWCSKHQRIGO-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262790;MM262790;C=CCC(=C)CC(N)C=C;NJXRLWIGUYWEKM-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262791;MM262791;Cc1[nH]nc(C#N)c1C;BZFJYTIXPOZBFV-UHFFFAOYSA-N;121.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262792;MM262792;CC(=CCN1CC1)CO;FWOMEFUIUSQFIW-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262793;MM262793;CCC1NC1C(=O)CF;BCPOVZSNRCRWDU-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262794;MM262794;C=CCC(=C)CC(O)C#N;IBUFVTPNTYCLIE-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262795;MM262795;C=C(CC=O)CC(O)C#N;PQWZVOQKAJVBHY-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262796;MM262796;C=CCC(=C)CC(F)C=C;HVLNSSWYGURCDC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262797;MM262797;C=CC(F)CC(=C)CC=O;HPFDKCXFCIPMDE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262798;MM262798;C=CCC(=C)CC(F)C=O;KGBHABROPMRJPT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262799;MM262799;C=CCC(=C)CC(F)C#N;YLOIIRJXKZBQJB-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262800;MM262800;C=C(CC=O)CC(F)C#N;AOJLRRCHZIVNFO-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262801;MM262801;C=C(CC#N)CC(F)C#N;KOTVNPAFZXHAFK-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262802;MM262802;C=CCC(=O)CC(C)C=C;YEHZGQQODFQSFU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262803;MM262803;C=CCC(=O)CC(C)C=O;BPQDCHONERUCTI-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262804;MM262804;C=CCC(=O)CC(C)C#N;ARBOAPIUZHFKEN-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262805;MM262805;CC(C=O)CC(=O)CC#N;QMGQLUOJYPXHDR-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262806;MM262806;CC(C#N)CC(=O)CC#N;NQGORCLYEQIBPC-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262807;MM262807;C=CCC(=O)CC(O)C=C;ZVSFENYTAYSTDV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262808;MM262808;C=CCC(=O)CC(O)C=O;DBWXHACZQXIWRL-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262809;MM262809;C=CCC(=O)CC(O)C#N;NOOUQMDMTKNWLF-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262810;MM262810;N#CCC(=O)CC(O)C=O;LOSGBIAJOGJIPT-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262811;MM262811;C=CCC(=O)CC(F)C=C;XRSVSVXCOWPAMW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262812;MM262812;C=CCC(=O)CC(F)C#N;ZZMJOSLSLILNCT-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262813;MM262813;C=C(CC(C)C#N)NC=N;YDWJHPSUESOSNW-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262814;MM262814;C=CC(N)CC(=C)NC=O;XEZYILUYMZUVKD-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262815;MM262815;C=C(CC(F)C=O)NC=O;GVAMMDNXMOREAL-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262816;MM262816;C=CNC(=N)CC(C)C=C;CAEUWCIVBRAYPX-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262817;MM262817;CC(C=O)CC(=N)N=CN;RMVLKNLBWKHHQP-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262818;MM262818;CN(NC(=N)CF)C(N)=O;MBEKZJQMOPQZTO-UHFFFAOYSA-N;148.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262819;MM262819;C=CC(N)CC(=N)NC=N;XEOUZUHVZNSRNS-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262820;MM262820;N#CC(O)CC(=N)NC=N;YKGZDSMEDGXASA-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262821;MM262821;C=C(CO)CC(=O)N(C)N;VDQXHTKQUFJJDF-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262822;MM262822;C=CNC(=N)CC(F)C=O;BBFHOEZXYOEDKQ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262823;MM262823;C=CNC(=O)CC(C)C=C;MNALSIRNOUDTSY-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262824;MM262824;CCC(F)=CN(N)C(N)=O;IEFWZOCYZXMOMA-UHFFFAOYSA-N;147.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262825;MM262825;CC(C#N)CC(=O)NC=O;UDBFMZIJTYUYGW-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262826;MM262826;C=CNC(=O)CC(O)C=C;QCUCGVIZFQACFH-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262827;MM262827;C=CC(O)CC(=O)NC=O;WRWMJVLKRXSPMM-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262828;MM262828;C=CNC(=O)CC(O)C=O;OFNQLVCURHIASE-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262829;MM262829;C=CNC(=O)CC(O)C#N;HFYJRJFSUMIBQF-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262830;MM262830;N#CC(O)CC(=O)NC=O;VLUHAZJFQNCYFT-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262831;MM262831;C=CNC(=O)CC(F)C=C;JVZOTZWMXFCRLM-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262832;MM262832;C=CNC(=O)CC(F)C#N;UAAYHNFBRNQRIK-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262833;MM262833;O=CNC(=O)CC(F)C=O;XHFRJPLWJVUADJ-UHFFFAOYSA-N;147.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262834;MM262834;CC(=N)N=CN(N)C(N)=O;CGKIWJFVVRCGJV-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262835;MM262835;NC(=O)OCCN(N)C=O;VTDMADAZMSEGGJ-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262836;MM262836;C=CC(C)CC(=C)OC=O;XAPURNLMLQYSPL-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262837;MM262837;C=COC(=C)CC(C)C=O;LIJXRJYPSVZLRK-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262838;MM262838;C=COC(=C)CC(C)C#N;WEBQFGFTSSNEBT-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262839;MM262839;C=C(CC(C)C=O)OC=O;PJNKBEUBAGBZQB-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262840;MM262840;C=COC(=C)CC(O)C#N;DEQZBCYTOQALAW-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262841;MM262841;C=C(CC(O)C=O)OC=O;TXPVRLBXVLKHIG-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262842;MM262842;C=C(CC(F)C#N)OC=O;VDKCFYYEOQEGCT-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262843;MM262843;C=COC(=O)CC(C)C#N;ATOOZOQCCBIDIY-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262844;MM262844;C=COC(=O)CC(O)C=O;MQKWHLDJMCIXHQ-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262845;MM262845;C=COC(=O)CC(F)C=C;KPVFWLARZUZGBW-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262846;MM262846;C=CC(C)CC(=O)ON=C;ZOUAJPJUZAMCKS-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262847;MM262847;C=CC(F)CC(=O)ON=C;PCJKWTNWOLOTPL-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262848;MM262848;C=CCC(=N)NC(C)C=C;DPGYUGLNNNPELL-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262849;MM262849;C=CC(C)N=C(N)CC=O;PTZJPLVVIFHEME-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262850;MM262850;C=CCC(=O)NC(C)C=C;AOIPORDLRKZLAF-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262851;MM262851;C=CC(C)NC(=O)CC=O;QIFVBYKYBABGDW-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262852;MM262852;C=CC(C)NC(=O)CC#N;MAZWVVIVZOAOJV-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262853;MM262853;CC(C=O)NC(=O)CC=O;DIOUEFOBGVVSOB-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262854;MM262854;CC(C=O)NC(=O)CC#N;OYVACWOYWZZBHD-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262855;MM262855;CC(C=O)NC(=N)N=CN;JLAYRUWZCPGBBG-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262856;MM262856;CC(C=O)NC(=N)NC=O;QGOQHWRGGWBPIC-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262857;MM262857;C=CNC(=O)NC(C)C=C;KMSOFTCSBHNDBD-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262858;MM262858;C=CNC(=O)NC(C)C=O;AOQXJNFAAONHBG-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262859;MM262859;CCC(O)CC=NN(C)C;VDPIAKRIWGQMCD-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262860;MM262860;CC(C=O)NC(=O)NC=O;IHOQLJDKVJEJLF-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262861;MM262861;CC(C#N)NC(=O)NC=O;LKIMSOPSLLHXKT-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262862;MM262862;CCC(O)CC(N)=CC#N;PHXKEPNSEHXLEE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262863;MM262863;C=NN(CC=O)CC(C)O;UGDWQDPHZSECTD-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262864;MM262864;C=CCC(=C)OC(C)C=C;ZDXJABFNXIFGOS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262865;MM262865;C=CCC(=C)OC(C)C#N;CKWRNXHRGIMUGB-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262866;MM262866;C=C(CC#N)OC(C)C#N;ZEYDEOFVKOBEAN-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262867;MM262867;C=CCC(=O)OC(C)C=C;LZCLGJXRFJPKDU-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262868;MM262868;C=CCC(=O)OC(C)C#N;NJUTVJPVICWJHZ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262869;MM262869;CC(C#N)OC(=O)CC=O;JSZAUYSGBDTKCX-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262870;MM262870;C=CC(C)OC(=C)NC=N;XCMWPHNLJKMNMP-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262871;MM262871;CC(C#N)OC(=N)NC=O;JLXXDJAIVKAKBH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262872;MM262872;CC(C#N)OC(=O)NC=N;ZAKUCEPIIWYJAO-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262873;MM262873;CC(C#N)OC(=O)NC=O;BGFFJSWIAKSEEJ-UHFFFAOYSA-N;142.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262874;MM262874;C=COC(=O)OC(C)C=C;NNUAZAXIVXFOFB-UHFFFAOYSA-N;142.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262875;MM262875;C=COC(=O)OC(C)C=O;ZMXHVNJKKFMZOG-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262876;MM262876;C=CCC(=C)CN(C)C=N;NTOPBFYOJOGDSJ-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262877;MM262877;C=C(CC=O)CN(C)C=N;DDIPAFQSUIZMGQ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262878;MM262878;C=C(F)CN(C=N)C(N)=O;NDFINRPOSXUDHO-UHFFFAOYSA-N;145.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262879;MM262879;C=CCC(=C)CN(N)C=O;KYYQNYINVZCGNU-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262880;MM262880;C=CCC(=O)CN(C)C=N;IJIYLZOAMHDZJM-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262881;MM262881;C=CCC(=O)CN(C)C=O;UORNFIQOOYDURN-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262882;MM262882;C=CCC(=C)CN(C)N=C;QWOSNMWWPSLYTB-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262883;MM262883;C=NN(C)CC(=C)CC#N;GVKNPODFDWWDLD-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262884;MM262884;C=CCC(C=NN)C(C)O;MZXDDJCQBQPPJN-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262885;MM262885;C=C(CN(N)C=N)NC=O;QYGOXVOQYPRKEL-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262886;MM262886;C=CNC(=N)CN(C)C=N;IYDPNLKPMVQAHE-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262887;MM262887;CN(C=N)CC(=N)NC=O;SKLGBBKGWHPLES-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262888;MM262888;C=CNC(=N)CN(C)C=O;MZTXDYIPUJELDP-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262889;MM262889;CN(C=O)CC(=N)NC=N;MBGMYUBXIOAFOV-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262890;MM262890;CC(C)C(C=NN)C(C)O;PTLNDESNGRFNCG-UHFFFAOYSA-N;144.22;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262891;MM262891;C=CNC(=N)CN(N)C=O;KUYJKMQZEZZUKY-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262892;MM262892;C=CNC(=N)CN(O)C=N;PSJSKJUOVAPNRL-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262893;MM262893;C=CNC(=O)CN(C)C=N;QFLWGEDOPYBGBO-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262894;MM262894;CN(C=N)CC(=O)NC=N;NQCYZEGJFUBNAM-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262895;MM262895;CN(C=N)CC(=O)NC=O;NWGMGZNDWKKETR-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262896;MM262896;C=CC(CC(=C)CO)=NN;YQRWACPYOSFWKV-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262897;MM262897;CN(C=O)CC(=O)NC=O;OJPZPLMUALFGNT-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262898;MM262898;CNC1(C#N)CCC(O)C1;AZXASXJGFRGLHP-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262899;MM262899;C#CC(C)N(N)C(=O)NC;KJWCKZDZKWVZLM-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262900;MM262900;C=NN(C)CC(=N)NC=N;HYUVNARJBGXXRZ-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262901;MM262901;C=COC(=C)CN(C)C=N;JKOUETAXPBWBLK-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262902;MM262902;C=COC(=C)CN(C)C=O;ZFXXMPMTPITFEF-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262903;MM262903;C=COC(=O)CN(C)C=N;QCGQZQLDBBDFOK-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262904;MM262904;C=NOC(=O)CN(N)C=O;MXWYRJVGKSRHLX-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262905;MM262905;C=COC(=C)CN(C)N=C;CMZNTWQZVDQVFU-UHFFFAOYSA-N;140.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262906;MM262906;C=NN(C)CC(=C)OC=O;UILNFOBWBCAKBR-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262907;MM262907;CN(C=N)NC(=O)CC#N;OQDLBAIEWSVYBB-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262908;MM262908;CN(C=O)NC(=O)CC=O;QBDZXHHKRWHLAS-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262909;MM262909;CN(C=O)NC(=O)CC#N;YOADFSUAKLASFW-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262910;MM262910;CN(C=N)NC(=O)NC=O;BNABUSTUUPWMFW-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262911;MM262911;CN(C=O)OC(=O)NC=N;SCIDMEQLTJSJSR-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262912;MM262912;CN(C=O)OC(=O)NC=O;KTLHHNQHPUVGJH-UHFFFAOYSA-N;146.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262913;MM262913;C#CCC(=C)CC(C)C=C;QGFWLJLDAHOLKV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262914;MM262914;C#CCC(=C)CC(C)C=O;IKKGCZWNCMKWIH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262915;MM262915;C#CCC(=C)CC(C)C#N;LSAIERPKTFXPCD-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262916;MM262916;C#CCC(=C)CC(O)C=O;RYUZOMBBGWVREF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262917;MM262917;C#CCC(=C)CC(O)C#N;FGQKBJXEAFJZSL-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262918;MM262918;C#CCC(=C)CC(F)C=O;OOCNEBUQOVUNRR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262919;MM262919;C#CCC(=C)CC(F)C#N;CUNQDRLRWDIXDB-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262920;MM262920;C#CCC(=O)CC(C)C=O;OTMSGHNBNVYGCD-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262921;MM262921;C#CCC(=O)CC(O)C=O;JBWBOOUWIFDPCZ-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262922;MM262922;C#CCC(N)=NC(C)C=O;JJSXRWLYAHSZPE-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262923;MM262923;C#CCC(=N)NC(C)C#N;YMYLVOCGRVGKAI-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262924;MM262924;C#CCC(=C)OC(C)C=O;DDHHJNGWLPMCEX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262925;MM262925;C#CCC(=O)OC(C)C=O;RCLZTNXYLJPWLJ-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262926;MM262926;C#CCC(=C)CN(C)C=N;RSNIGTYJUAKQPR-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262927;MM262927;C#CCC(=C)CN(C)C=O;XQZKBOMPRIHQOU-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262928;MM262928;C#CCC(=C)CN(N)C=N;RNGCJHYOTWJAEV-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262929;MM262929;C#CCC(=C)CN(N)C=O;LOULHWSVMBNLRM-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262930;MM262930;C#CCC(=O)CN(C)C=N;BSMUBEVZTFHMQJ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262931;MM262931;C#CCC(=C)CN(C)N=C;YRNPCFIVQNGOKF-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262932;MM262932;C#CCC(=N)NN(C)C=N;SECOVHUIOVSCQX-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262933;MM262933;C#CCC(=N)NN(C)C=O;VVMYDJAHQATIJS-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262934;MM262934;C#CCC(=O)NN(C)C=O;FVTCDYMMKMCAIF-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262935;MM262935;C#CC(C)CC(=C)CCN;HKJLNRUHQUDCCQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262936;MM262936;CNC(=O)N(C)C=NC=N;JZFCQAPWFKUATQ-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262937;MM262937;C#CC(C)CC(=C)CCF;UWTROKUGMOSYQO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262938;MM262938;C#CC(N)CC(=C)CCN;GAGGDDVZCYDNIK-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262939;MM262939;C#CC(N)CC(=C)CCF;QKAVYYPMCXTDRX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262940;MM262940;C#CC(O)CC(=C)CCC;JDAHAVGPKHKYOY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262941;MM262941;C#CC(O)CC(=C)CCF;QHSXHZLSOQBNNC-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262942;MM262942;C#CC(F)CC(=C)CCN;RPVUATRGEUHZCW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262943;MM262943;C#CC(F)CC(=C)CCF;YAAAANFQVSPUCD-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262944;MM262944;C#CC(C)CC(=O)CCC;VWWCIZNHCYJMHZ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262945;MM262945;C#CC(O)CC(=O)CCO;CQAOSEDJJWECCV-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262946;MM262946;C#CC(F)CC(=O)CCC;VCEYNVXJPQDJRK-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262947;MM262947;C#CC(F)CC(=O)CCO;PXFAEDYDVUBUHM-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262948;MM262948;C#CC(O)CC(=C)CNC;LSBYIVSVDRTQQF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262949;MM262949;C#CC(F)CC(=O)CNC;PGSGXWHMEBCDIW-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262950;MM262950;C#CC(O)CC(=C)COC;DJJRFJVUSBWMQR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262951;MM262951;C#CC(C)CC(=O)COC;NECJEUTXENBPNJ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262952;MM262952;C#CC(N)CC(=N)NCC;FUOYDPMYOUONLM-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262953;MM262953;C#CC(C)CC(=O)NCC;BMLOWCDISXBLJA-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262954;MM262954;C#CC(O)CC(=O)NCC;XWJSYCXTILNEEZ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262955;MM262955;C#CC(C)CC(=N)NNC;CNFKFKMZYLSYDQ-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262956;MM262956;CCON=C(C)C(F)C=O;GZRCBKAVTHRNOT-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262957;MM262957;C#CC(C)CC(=N)NOC;CIHFHNDZUOMTCI-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262958;MM262958;C#CC(C)NC(=N)CCC;SNRFBWUADHXPRB-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262959;MM262959;C#CC(C)NC(=N)CCN;MHSCWGPLDOAZQT-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262960;MM262960;C#CC(C)NC(=N)CCO;QNDGXZYMCBOAEK-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262961;MM262961;C#CC(C)NC(=O)CCC;HFDGBZWDVLZSDQ-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262962;MM262962;C#CC(C)NC(=O)CCN;DQSUOEDLHDBONM-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262963;MM262963;C#CC(C)NC(=O)CCO;KRGLLOBRZPUZLG-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262964;MM262964;C#CC(C)NC(=O)NOC;GZANELNHBJBOKL-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262965;MM262965;C#CC(C)OC(=C)CCC;FQYKRUBMTOVAIK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262966;MM262966;C#CC(C)OC(=C)CCO;GLZVUBUCIHFSNZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262967;MM262967;C#CC(C)OC(=O)CCC;HFKHPRPCSKQTCT-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262968;MM262968;C#CC(C)OC(=O)CCN;MBPYCSUISSHBMS-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262969;MM262969;C#CC(C)OC(=O)CCO;DYLUTCHNCFXBTG-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262970;MM262970;C#CC(C)OC(=O)CCF;JFQYZUOAMUKGEL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262971;MM262971;C#CC(C)OC(=C)COC;CODFTIALWKRFDB-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262972;MM262972;C#CC(C)OC(=N)NCC;OHLCQBVHGOKNSG-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262973;MM262973;C#CC(C)OC(=O)NOC;XRIGOHUOQUDCMH-UHFFFAOYSA-N;143.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262974;MM262974;C#CC(C)OC(=O)OCC;JPRAYECWXNGOIQ-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262975;MM262975;C#CC(C)CC(=C)CC=C;CYZOKWIPRBAAMA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262976;MM262976;C#CC(C)CC(=C)CC=O;YBNBLRZODQPKOH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262977;MM262977;C#CC(C)CC(=C)CC#N;OSPPPVLLMFWNCD-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262978;MM262978;C#CC(N)CC(=C)CC=C;JRZYAKBVXPJQAS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262979;MM262979;C#CC(F)CC(=C)CC=C;UDYUZRBKBBZGSI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262980;MM262980;C#CC(F)CC(=C)CC=O;QPTMCWBPOQPSNC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262981;MM262981;C#CC(F)CC(=C)CC#N;GANHPBRXJHSADH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262982;MM262982;C#CC(C)CC(=O)CC=C;HGFULLUGVWIKQN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262983;MM262983;C#CC(O)CC(=O)CC#N;MGRJBTZEJHTIEJ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262984;MM262984;C#CC(F)CC(=O)CC=C;GZNXGOHDHKCIIR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262985;MM262985;C#CC(C)CC(=C)NC=O;URCDRPUXYPFABG-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262986;MM262986;C#CC(O)CC(=C)NC=N;AQFJDPVSTALJHS-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262987;MM262987;CCON=CCC(O)CC;TZAIRXUXAPXOKE-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262988;MM262988;C#CC(O)CC(=N)NC=C;ZLOKYAUJLOLYNB-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262989;MM262989;C#CC(O)CC(=N)NC=N;WJXQDBIYWPUDEB-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262990;MM262990;C#CC(C)CC(=O)NC=C;OXIAKIXEKNNPTG-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262991;MM262991;CCC(O)CC=NOC=O;BMZWOTKNFPAREI-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262992;MM262992;C#CC(O)CC(=O)NC=O;DASOUXHCHYIQFJ-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262993;MM262993;C#CC(C)CC(=C)OC=C;XGWSUQRNZZCURR-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262994;MM262994;C#CC(O)CC(=C)OC=O;GZZNHOKKXHKCDQ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262995;MM262995;C#CC(F)CC(=C)OC=O;LGKNLHVJYRWGQC-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262996;MM262996;C#CC(C)CC(=O)ON=C;JSTWSWKDGNJBMC-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262997;MM262997;C#CC(C)NC(=O)CC=C;DJUYYVAYONAXMF-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262998;MM262998;C#CC(C)NC(=O)CC=O;TVNBHUAJLFUIJS-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM262999;MM262999;C#CC(C)NC(=N)NC=N;KFLMYGAQXCSKCV-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263000;MM263000;C#CC(C)NC(=N)NC=O;KUADEFZAFYLZHC-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263001;MM263001;CC=NNCC=C(C)CO;NQGUPGOCSNYRPX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263002;MM263002;C#CC(C)NC(=O)NC=O;UDZGZNXUUJWSDD-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263003;MM263003;C#CC(C)NC(=O)NN=C;UCBYOJSICVUEAW-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263004;MM263004;C#CC(C)OC(=C)CC=C;KPCNZUXZQFKOFG-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263005;MM263005;C#CC(C)OC(=C)CC#N;IGIBXKLNFDBMBO-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263006;MM263006;C#CC(C)OC(=O)CC=C;PDVHNCFMUBVRBA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263007;MM263007;C#CC(C)OC(=O)CC#N;BIOLQTFLXNJICD-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263008;MM263008;C#CC(C)OC(=C)NC=N;NTNXQISCGDHJGV-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263009;MM263009;C#CC(C)OC(=N)NC=O;LWZRAXRZFMSBLU-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263010;MM263010;CC=NN(CC)C(=O)NC;JUKGYOMCOFXXJV-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263011;MM263011;C#CC(C)OC(=O)NN=C;NCBYJHOUOANVMJ-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263012;MM263012;C#CC(C)OC(=O)OC=C;PJQHSSJAIRHHAU-UHFFFAOYSA-N;140.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263013;MM263013;C#CCC(=C)CC(C)C#C;KVILKXWSRXIFOV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263014;MM263014;C#CCC(=C)CC(N)C#C;RAHVCPZAKQABGP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263015;MM263015;C#CCC(=C)CC(O)C#C;DWONVAFEEHUOOW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263016;MM263016;C#CCC(=C)CC(F)C#C;MKOOGXCERJXEHW-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263017;MM263017;C#CCC(=O)CC(C)C#C;NCWZVRNVLKNAQR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263018;MM263018;C#CCC(=O)CC(F)C#C;HDTMFIHVGSOQHF-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263019;MM263019;C#CCC(=C)OC(C)C#C;VCEPSULTZRTZIJ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263020;MM263020;C#CCC(=O)OC(C)C#C;RVEGONCGXRXLDL-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263021;MM263021;C=C(CC)CC(=C)CCC;DTAQEBYWKHNNLW-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263022;MM263022;C=C(CN)CC(=C)CCF;OAMYKMJRBPSZDP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263023;MM263023;C=C(CF)CC(=C)CCN;LCGIJPHJDGOKFD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263024;MM263024;C=C(CCF)CC(=O)CC;OOWVGASMPUDGQK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263025;MM263025;C=C(CCF)CC(=O)CO;CTONUIGDGNUCMP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263026;MM263026;C=C(CCF)CC(=O)CF;PYCVNMGPLBOONI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263027;MM263027;C=C(CC)CC(=O)CCC;CMNNAQATERBOCQ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263028;MM263028;C=C(CF)CC(=O)CCC;GBCARMUTEUBXIV-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263029;MM263029;C=C(CC)CC(=C)CNC;ZRACWCMOUHCFTQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263030;MM263030;C=C(CF)CC(=C)CNC;NUFAQFITBPRJEJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263031;MM263031;C=C(COC)CC(=O)CF;QUJSSXMGIXTURI-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263032;MM263032;C=C(CCF)CC(=N)NC;UHCOONWEMCVRLN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263033;MM263033;C=C(CCC)CC(=N)NN;MVOORQYJGGZIJB-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263034;MM263034;C=C(CCF)CC(=N)NN;LZLDAXDTJWHFCT-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263035;MM263035;C=C(CCC)CC(=N)NO;OHWWYAULLCVWLO-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263036;MM263036;C=C(CCN)CC(=N)NO;RBZGGZRBPGWCDA-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263037;MM263037;C=NNC(C#N)CNC=O;GFRCUCNBTPNOSK-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263038;MM263038;C=C(CCF)CC(=O)NC;VALWUTPJTDYZBY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263039;MM263039;C=NOCC(OC)C(N)=O;ISDPSBDYNAPBTK-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263040;MM263040;CC(=CC1C(C)N1C)CO;MZWRBQXVLYCSRG-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263041;MM263041;C=C(CCC)CC(=O)NO;FWOWAJKTYFFPRM-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263042;MM263042;C=C(CCN)CC(=O)NO;PZGWDKAENARKRP-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263043;MM263043;CCCC(=O)CC(=N)NC;LRBSMCGWGYXEPL-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263044;MM263044;CN=C(N)CC(=O)CCO;JJAVYGYGDNRPIM-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263045;MM263045;CN=C(N)CC(=O)CCF;AELKECLRSHWQDT-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263046;MM263046;C=NNCCC(=CC)CO;UGBYAGNZWNWSMO-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263047;MM263047;C=NOCCC(=CC)CO;CJGADYXZHZWQSM-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263048;MM263048;CNC(=O)CC(=O)CCF;IXPREARTSANXQV-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263049;MM263049;CCCC(=O)CC(=O)NO;MOAWDAQUTQBNMW-UHFFFAOYSA-N;145.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263050;MM263050;O=C(CCO)CC(=O)NO;WRIARBKNWFQWNW-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263051;MM263051;C=C(CNC)CC(=N)NN;YKXHPLPGIVGQGB-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263052;MM263052;C=C(CNC)CC(=O)NN;NPZMYENEIZAHIA-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263053;MM263053;C=C(COC)CC(=N)NN;JOFZCWRFLBPXSC-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263054;MM263054;CNC(=N)CC(=O)COC;OTLFVGZPRILBFE-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263055;MM263055;COCC(=O)CC(=N)NO;SQGUVXKVENEQBB-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263056;MM263056;C=C(CCN)CC(=C)OC;IEMUIVDUTXAIQP-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263057;MM263057;C#CC(CO)CC1CN1C;WBJXUQSUWFBECC-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263058;MM263058;C=C(CCF)CC(=C)OC;NKOJZPJSRUVHHR-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263059;MM263059;C=C(CC(=O)CCC)OC;CAFGMNQTRDQPNU-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263060;MM263060;C=C(CC(=O)CCO)OC;FEZUOPICJACOBM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263061;MM263061;C=C(CNC)CC(=C)OC;POZIIWBSNMXXBU-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263062;MM263062;C=C(CC)CC(=N)NCC;HVELYZGOQTXULL-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263063;MM263063;C=C(CN)CC(=N)NCC;KQLBRDJAXNUWTJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263064;MM263064;C=C(CF)CC(=N)NCC;UOBCMYAEYPUWAE-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263065;MM263065;CC=C(CO)CC1CN1C;AVUAIKHOWZKVRK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263066;MM263066;C=C(CN)CC(=O)NCC;LAVNQMYNHJYMJR-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263067;MM263067;CCNC(=O)CC(=O)CO;QCDQMFLDLCMGBX-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263068;MM263068;C=C(CO)CC(=N)NNC;DFIPQQFIZGEUSM-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263069;MM263069;CCC(=O)CC(=N)NNC;UGXPCBAFOUDMBU-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263070;MM263070;C=NN1CC(C(=C)CO)C1;WVHAPYLFTJDZSI-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263071;MM263071;CCC(=O)CC(=N)NOC;NHKRHMXLYBNQOZ-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263072;MM263072;NC=Cc1cc(NO)c[nH]1;KBHCZWMFYACWCT-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263073;MM263073;C=C(CN)CC(=O)NOC;LJZNAFFDCHMLDA-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263074;MM263074;ON=c1nnc(O)c(O)o1;HYFDJZQGIIFHAQ-UHFFFAOYSA-N;145.07;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263075;MM263075;CCNC(=N)CC(=N)NC;LUKVDPGAGBHXSD-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263076;MM263076;CCN=C(N)CC(=O)NN;PLDQWDOUYAOMMN-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263077;MM263077;CCNC(=O)CC(=N)NN;WMJGLIQWDBIWCG-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263078;MM263078;CNNC(=N)CC(=N)NC;RZLOWGXOUNVESO-UHFFFAOYSA-N;143.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263079;MM263079;CNC(=N)CC(=N)NOC;YSSKZCBXKALPMB-UHFFFAOYSA-N;144.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263080;MM263080;C=NN1CC1C=C(C)CO;OUJLBFMFCWRBEU-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263081;MM263081;C=C(CC(=N)NCC)OC;YYOPEMMFKDLYBW-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263082;MM263082;C=C(CC(=N)NOC)OC;UOTDNCKLTGGPMH-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263083;MM263083;C=C(CN)CC(=O)OCC;KUJKZXPQCMPWAS-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263084;MM263084;C=C(CO)CC(=O)OCC;BODPYMDWQNGYPE-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263085;MM263085;CCOC(=O)CC(=O)CC;UDRCONFHWYGWFI-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263086;MM263086;CCOC(=O)CC(=O)CO;NZJBBKAVCWXTPT-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263087;MM263087;C=C(CC(=N)NC)OCC;CXRLQCUXQLJCEA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263088;MM263088;C=C(CC(=N)NO)OCC;IZMYPTQWWRPACW-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263089;MM263089;C=C(CC(=O)NC)OCC;HQMCATMPKPHRJZ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263090;MM263090;CCOC(=O)CC(=O)NC;VWTRXRCWWIJCCQ-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263091;MM263091;C=C(CCC)NC(=N)CC;PUVZCNYLAKYUHQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263092;MM263092;C=C(CCN)NC(=N)CC;FBAZYTWMAPTIQJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263093;MM263093;C=C(CCN)NC(=N)CN;RBJXJIAHTZTQDM-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263094;MM263094;C=C(CCF)NC(=N)CN;FMBXZUVKJFXEMP-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263095;MM263095;C=C(CCN)NC(=N)CO;MREDWEZJWCWNOM-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263096;MM263096;C=C(CCN)NC(=N)CF;KJIMARLHZSUJOD-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263097;MM263097;C=C(CCO)NC(=O)CC;YQRJBJOUDFCQIU-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263098;MM263098;C=C(CCN)NC(=O)CN;YWSMMUMVQRSPAK-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263099;MM263099;C=C(CCC)NC(=O)CO;VJBMDXUJYWPHGV-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263100;MM263100;C=C(CCN)NC(=O)CO;HJPBWAIFKAHEQE-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263101;MM263101;C=C(CCF)NC(=O)CF;OPDNZUQQYHPLPA-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263102;MM263102;C=C(CC)NC(=N)CCC;YDCJINAAFAJKFQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263103;MM263103;C=C(CC)NC(=N)CCN;ITOMLRCZCQZJQX-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263104;MM263104;C=C(CO)NC(=N)CCO;RVWGLRDZJCHSBC-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263105;MM263105;C=C(CO)NC(=N)CCF;DISGPLBELSTEBW-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263106;MM263106;C=C(CF)NC(=N)CCC;BKDQBGVPXFIBSZ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263107;MM263107;C=C(CF)NC(=N)CCO;HUQJWXJWSAXMLD-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263108;MM263108;CCC(=N)NC(=N)CCN;IWOKXLUABIHCKE-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263109;MM263109;CCCC(=N)NC(=N)CN;JRQSUCKUTCYSFS-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263110;MM263110;N=C(CN)NC(=N)CCN;DMBHADHKNHUCFX-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263111;MM263111;CCCC(=N)NC(=N)CO;MRTMSMYYLPSHBY-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263112;MM263112;N=C(CO)NC(=N)CCO;ZGPPSGGNJKMPGL-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263113;MM263113;N=C(CF)NC(=N)CCN;SZDNXZPYLULVSZ-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263114;MM263114;N=C(CF)NC(=N)CCO;NVLPKSLOOTXTDB-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263115;MM263115;C#CC1NC1C=C(C)CO;QUMAWJCRUBCKTG-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263116;MM263116;C=NNC1CC1C(=C)CO;LCUZACQVEMJRJE-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263117;MM263117;CCCC(=N)NC(=O)CF;NQZVEBOCTFYAIZ-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263118;MM263118;N=C(CCO)NC(=O)CF;IPWCCJUACWRXOP-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263119;MM263119;C=C(CC)NC(=O)CCO;DBYUWNAMFBUYKE-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263120;MM263120;C=C(CN)NC(=O)CCO;ZZEMWDBYEKTXHQ-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263121;MM263121;C=C(CO)NC(=O)CCC;VDJUKZJEJXUYRD-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263122;MM263122;C=C(CO)NC(=O)CCF;XTDMSPQUARRVBT-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263123;MM263123;CCCC(=O)NC(=N)CO;QBFJCFPYLGCEIM-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263124;MM263124;N=C(CO)NC(=O)CCO;WFATXWYXUBVHHN-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263125;MM263125;CCCC(=O)NC(=N)CF;TUWYFNIFAJHGBL-UHFFFAOYSA-N;146.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263126;MM263126;N=C(CF)NC(=O)CCO;QVYOWQNVCPHADA-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263127;MM263127;CCCC(=O)NC(=O)CC;IWNOLSWCBOWZCW-UHFFFAOYSA-N;143.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263128;MM263128;CCCC(=O)NC(=O)CO;WIZJHXOAWKOMDK-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263129;MM263129;O=C(CO)NC(=O)CCO;HCLKKSQWISOFJI-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263130;MM263130;O=C(CF)NC(=O)CCO;YLBWNJDDULMBIR-UHFFFAOYSA-N;149.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263131;MM263131;C=C(CNC)NC(=N)CO;CTFJFGRMEPHYEL-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263132;MM263132;C=C(CNC)NC(=O)CC;SBJSLMPMXGSMED-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263133;MM263133;CCC(=N)NC(=N)CNC;GFTBGDCFWJWWNQ-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263134;MM263134;CNCC(=N)NC(=N)CN;SSARSEIONYEDRX-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263135;MM263135;CNCC(=O)NC(=N)CN;GTRWQKUJMVNWEU-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263136;MM263136;CNCC(=O)NC(=O)CN;JWMNSOKONPVWLQ-UHFFFAOYSA-N;145.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263137;MM263137;CNCC(=O)NC(=O)CO;XYIUCQOKCUPSKM-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263138;MM263138;CNCC(=O)NC(=O)CF;JTXOHUVLUUZVFF-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263139;MM263139;C=C(COC)NC(=N)CN;BNJMRUCROJWUHC-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263140;MM263140;C=C(COC)NC(=N)CO;GGPFRTMRXXLUSM-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263141;MM263141;C=C(COC)NC(=O)CO;UHKSQNIPWXISOY-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263142;MM263142;C=C(CN)NC(=N)COC;LNXZTZUERDZVRG-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263143;MM263143;CCC(=N)NC(=N)COC;JIVFBVPEFCIJAP-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263144;MM263144;COCC(=N)NC(=N)CN;QXFNZJPQLSJXCC-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263145;MM263145;COCC(=N)NC(=O)CO;BNRKIXPRKRSWQT-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263146;MM263146;C=C(CO)NC(=O)COC;WDXAEUSLVRVUAO-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263147;MM263147;C=NOC1CC1C(=C)CO;NIOONAMMCUBJIA-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263148;MM263148;COCC(=O)NC(=N)CO;NRPBPYGTEZSNSG-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263149;MM263149;CCC(=O)NC(=O)COC;PGVUEBJAPBVBQQ-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263150;MM263150;COCC(=O)NC(=O)CO;HZPVZNJJAAGHIR-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263151;MM263151;C=C(CCC)NC(=N)NC;XZJZALNIJNSOHD-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263152;MM263152;C=C(CCN)NC(=N)NC;HSNRPVLRWQPPHY-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263153;MM263153;C=C(CCO)NC(=N)NC;WBUZVKJTASRNGD-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263154;MM263154;C=C(CCC)NC(=N)NN;AQTDPJZJRWQROE-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263155;MM263155;C=C(CCF)NC(=N)NN;OTPVKTRBLDMONN-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263156;MM263156;C=C(CCN)NC(=N)NO;RYCIGTBUXLQVCY-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263157;MM263157;C=C(CCO)NC(=N)NO;LZTFMOVOCMJSEQ-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263158;MM263158;C=C(CCC)NC(=O)NC;VCCSVEUGHWZZIV-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263159;MM263159;C=C(CCN)NC(=O)NC;KFBCVKCHPHMLNN-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263160;MM263160;C=C(CCO)NC(=O)NC;GTXUNAXHCCNFEV-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263161;MM263161;CC=C(CO)CCN1CC1;BEBOKMOEEQWNSM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263162;MM263162;C=C(CCC)NC(=O)NO;SQACZRYPMKQBGM-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263163;MM263163;CCCC(=N)NC(=N)NC;NGGVXWAGNQUUML-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263164;MM263164;CNC(=N)NC(=N)CCN;PLNFGGUOQUNJBN-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263165;MM263165;CNC(=N)NC(=N)CCO;AIENOUUZKHWXNK-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263166;MM263166;CCCC(=N)NC(=N)NN;UFUFDFKQMSQYBC-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263167;MM263167;N=C(CCO)NC(=N)NN;NXHJBHSOQSMNPQ-UHFFFAOYSA-N;145.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263168;MM263168;CCCC(=N)NC(=N)NO;GLZYGEHIAYNWKQ-UHFFFAOYSA-N;144.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263169;MM263169;N=C(CCO)NC(=N)NO;YPIMNZBEAIULQU-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263170;MM263170;C=CN(N)C(=O)CF;PELYRMXVCZGHQM-UHFFFAOYSA-N;118.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263171;MM263171;COc1cc(N)on1;DRJHZHSGIGOPPN-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263172;MM263172;CC1NC1C(=O)CF;OQRCWAAWQSISSL-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263173;MM263173;N=C(CCO)NC(=O)NO;ZYVJZEFKFYTDIF-UHFFFAOYSA-N;147.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263174;MM263174;CCCC(=O)NC(=N)NC;JKZHTHDDVWJGKC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263175;MM263175;CNC(=N)NC(=O)CCO;MLYXFBODMXPPQL-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263176;MM263176;CCCC(=O)NC(=O)NC;YRRLCUSJRXHGSD-UHFFFAOYSA-N;144.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263177;MM263177;CNC(=O)NC(=O)CCO;VHJGDUUIMWRPQN-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263178;MM263178;CNC(=O)NC(=O)CCF;VYVBBLMRENROLJ-UHFFFAOYSA-N;148.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263179;MM263179;CCCC(=O)NC(=O)NN;LGXRNIOZAJSFLR-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263180;MM263180;CCCC(=O)NC(=O)NO;GNGFDJIEHQHENW-UHFFFAOYSA-N;146.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263181;MM263181;O=C(CCO)NC(=O)NO;YVAZLHNOBAOOJY-UHFFFAOYSA-N;148.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263182;MM263182;C=C(CNC)NC(=N)NN;RYPOEBBKYXUYMK-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263183;MM263183;C=C(CNC)NC(=O)NO;FMXIDBCBVFYOGQ-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263184;MM263184;CNCC(=N)NC(=N)NN;MVKBRFFHWOGPBA-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263185;MM263185;CNCC(=O)NC(=N)NC;BFRYGGQXZADEQU-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263186;MM263186;CNCC(=O)NC(=N)NN;PCSYTFRLKAJTFF-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263187;MM263187;CNCC(=O)NC(=O)NC;MMGFFOBSHSWITI-UHFFFAOYSA-N;145.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263188;MM263188;CNCC(=O)NC(=O)NN;TVHNZMFDPPJCIF-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263189;MM263189;CNCC(=O)NC(=O)NO;VIRREVMEUMSSCU-UHFFFAOYSA-N;147.13;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263190;MM263190;C=C(COC)NC(=N)NC;JMBCFEMHGCGCIR-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263191;MM263191;C#CCNC(=N)C(N)=O;UBAHUSGUQPVFAO-UHFFFAOYSA-N;125.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263192;MM263192;CNC(=N)NC(=N)COC;GGEAPQNEFSKWBK-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263193;MM263193;COCC(=N)NC(=N)NN;POHWVDPZQOBZNC-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263194;MM263194;COCC(=N)NC(=N)NO;SYFDWWVKDRVMLU-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263195;MM263195;COCC(=N)NC(=O)NN;YCQBTHPZTYDXNP-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263196;MM263196;COCC(=O)NC(=N)NN;JACLOYWNSNIMCG-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263197;MM263197;COCC(=O)NC(=O)NN;XMKBWGVBRFICPU-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263198;MM263198;C=C(NC(=N)CCC)OC;RBYJQSOPHIRSBG-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263199;MM263199;C=C(NC(=N)CCO)OC;ANNJPFIBDVBUQQ-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263200;MM263200;CCCC(=N)NC(=O)OC;NLESGGMMLGGRNC-UHFFFAOYSA-N;144.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263201;MM263201;COC(=O)NC(=N)CCO;IWUVGFMIIWTLIE-UHFFFAOYSA-N;146.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263202;MM263202;COC(=O)NC(=O)CCO;UHLPTNHGKKXEMN-UHFFFAOYSA-N;147.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263203;MM263203;COCC(=N)NC(=O)OC;OASUCWCWBYWERI-UHFFFAOYSA-N;146.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263204;MM263204;COCC(=O)NC(=N)OC;WEVOXFOAJRYCEQ-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263205;MM263205;C=C(CC)NC(=N)NCC;HFBSYMNOOZNYFO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263206;MM263206;C=C(CO)NC(=N)NCC;XIDWZMDMFCPOEO-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263207;MM263207;CCNC(=N)NC(=N)CC;NOPCJEQWOLEOOH-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263208;MM263208;CCNC(=N)NC(=N)CN;BQEZVOUCAWXEFV-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263209;MM263209;CCNC(=N)NC(=N)CF;GFGTUGFNSVJTRY-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263210;MM263210;CCNC(=N)NC(=O)CC;XGTKKQNIBXXCMS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263211;MM263211;CCNC(=N)NC(=O)CN;ISUWHXAATHLHNH-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263212;MM263212;CCNC(=N)NC(=O)CO;PLEGRPIEODEGPS-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263213;MM263213;C=C(CO)NC(=O)NCC;XLLAWFGJGJFEPR-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263214;MM263214;C=C(CC)NC(=N)NNC;OMUJIKUGBORUBW-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263215;MM263215;C=C(CN)NC(=N)NNC;WXSXLGMZDGDFAZ-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263216;MM263216;C=C(CO)NC(=N)NNC;NZWTUNMLBLRSAW-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263217;MM263217;CNNC(=N)NC(=N)CN;FOESAZPPYGSORD-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263218;MM263218;CNNC(=N)NC(=N)CF;YYCNVURXPLIUMQ-UHFFFAOYSA-N;147.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263219;MM263219;CNNC(=N)NC(=O)CN;JQMRSJBAICAGQP-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263220;MM263220;CNNC(=N)NC(=O)CO;YMGRYUBFIKZFHO-UHFFFAOYSA-N;146.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263221;MM263221;CNNC(=N)NC(=O)CF;RZLTWCQVHYQDTR-UHFFFAOYSA-N;148.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263222;MM263222;C=C(CN)NC(=O)NNC;JCWKGTQXZLRJAW-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263223;MM263223;NC(=O)N(N)CC=CF;UKUFHNRREGCXPP-UHFFFAOYSA-N;133.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263224;MM263224;CNN=CC(C)C(C)O;BCFWYNOKAFASMM-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263225;MM263225;C=NNCCC(=C)CO;WVHKKWPIXBDDNH-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263226;MM263226;C=C(CO)CC1CN1C;IJVKRYMOBXCSCO-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263227;MM263227;NNc1cnn(C=O)n1;BWUUYEMAXLDTIT-UHFFFAOYSA-N;127.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263228;MM263228;CNNC(=O)NC(=O)CF;MUFBQDRPYSCAAZ-UHFFFAOYSA-N;149.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263229;MM263229;C=C(CC)NC(=N)NOC;FZHUNIOCKSBNJN-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263230;MM263230;C=C(CN)NC(=N)NOC;NAUCIPUVZHCPCU-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263231;MM263231;C=C(CO)NC(=N)NOC;VRGBEEJUVLQVBY-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263232;MM263232;C=C(CF)NC(=N)NOC;QGWMEMDECZNAMW-UHFFFAOYSA-N;147.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263233;MM263233;CCC(=N)NC(=N)NOC;AFQMEHGOVQDODR-UHFFFAOYSA-N;144.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263234;MM263234;CONC(=N)NC(=N)CN;NPTKSKFQKSZBBJ-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263235;MM263235;CONC(=N)NC(=N)CO;AKVJVPSQNIOYBA-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263236;MM263236;C=C(CN)NC(=O)NOC;WGPKPCYAQPROHY-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263237;MM263237;C=C(CO)NC(=O)NOC;OMSDXNVIZUEOMF-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263238;MM263238;CONC(=O)NC(=N)CO;CGUIAKYAHAROQP-UHFFFAOYSA-N;147.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263239;MM263239;CONC(=O)NC(=N)CF;IOHVZIRBCZVIEQ-UHFFFAOYSA-N;149.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263240;MM263240;CONC(=O)NC(=O)CO;PPWKMBHNRGTFJK-UHFFFAOYSA-N;148.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263241;MM263241;CCNC(=N)NC(=N)NN;CNBYBIBBFLTIRM-UHFFFAOYSA-N;144.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263242;MM263242;CCNC(=N)NC(=O)NC;CCZFKDXXNDNUIG-UHFFFAOYSA-N;144.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263243;MM263243;CNC(=N)NC(=N)NOC;JJXPNBKMSLZIIW-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263244;MM263244;CONC(=N)NC(=N)NN;PAVYLQWGLFNCCB-UHFFFAOYSA-N;146.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263245;MM263245;CONC(=N)NC(=N)NO;WGRITFFEHFOGET-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263246;MM263246;CCNC(=N)NC(=N)OC;VMJNYGLUKJZPMA-UHFFFAOYSA-N;144.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263247;MM263247;C=C(NC(=N)NNC)OC;VBELDWWMSHLCEL-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263248;MM263248;C=Cn1cnc(NC)n1;COXJNXKSBXMULS-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263249;MM263249;CNNC(=O)NC(=N)OC;GLAIDOMYBOHVAB-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263250;MM263250;C=C(NC(=N)NOC)OC;MYJFMRUFNXLSTA-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263251;MM263251;CONC(=N)NC(=N)OC;HOJNQMWLKNEHEQ-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263252;MM263252;C=C(NC(=O)NOC)OC;OOJHQALSSKBFKM-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263253;MM263253;CONC(=O)NC(=N)OC;CZIQLWYZCWXELG-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263254;MM263254;C=C(NC(=N)CF)OCC;AIBPFXFWWBANKJ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263255;MM263255;C=C(NC(=O)CC)OCC;IXJNSQNQBYRWAI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263256;MM263256;C=C(NC(=O)CF)OCC;AZCVTCKPOJYYEG-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263257;MM263257;C=C(CC)NC(=O)OCC;FKTQWTHDOZZCII-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263258;MM263258;C=Cc1cc(NO)c[nH]1;QXOJREMGOZOKCP-UHFFFAOYSA-N;124.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263259;MM263259;CCOC(=N)NC(=O)NN;BBTLCGJWISKMOV-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263260;MM263260;C=C(NC(=O)OC)OCC;CAXOHBJYUSAFIA-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263261;MM263261;CCOC(=N)NC(=O)OC;BOBZQVKQMFMKOZ-UHFFFAOYSA-N;146.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263262;MM263262;CCOC(=O)NC(=N)OC;OMMSECGBRSFDEZ-UHFFFAOYSA-N;146.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263263;MM263263;C=C(CN)OC(=C)CCN;ABEZTBBQZVHSHH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263264;MM263264;C=C(CO)OC(=C)CCN;ZHIFDVPSNHIHPN-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263265;MM263265;C=C(CF)OC(=C)CCC;JRCATZYBHQYIDP-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263266;MM263266;C=C(CCF)OC(=O)CC;VHXMJDMQJCADRH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263267;MM263267;C=C(CCN)OC(=O)CN;OLAKTTVFBBIHRM-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263268;MM263268;C=C(CCF)OC(=O)CF;HCJGDBWPLORZQL-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263269;MM263269;C=C(CC)OC(=O)CCN;QGJNFJHRUREBHG-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263270;MM263270;C=C(CN)OC(=O)CCO;JJKCOYPKZRTADF-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263271;MM263271;C=C(CO)OC(=O)CCO;PLFJWFAWFGKBSJ-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263272;MM263272;C=C(CO)OC(=C)CNC;DCGAIVURIBPTSN-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263273;MM263273;C=C(CNC)OC(=O)CN;JXLBCTURCDGVJX-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263274;MM263274;C=C(CNC)OC(=O)CO;AZSLBCPGDZHHFA-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263275;MM263275;CNC(=N)OC(=O)CCN;IFTJJBNONRSMAF-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263276;MM263276;CNc1cc(CO)c[nH]1;JZDQLAJONDTUNS-UHFFFAOYSA-N;126.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263277;MM263277;CN(C)CC(=O)C(C)(F)F;GUYQTKURXLACOV-UHFFFAOYSA-N;151.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263278;MM263278;C=C(CCN)OC(=O)OC;AYUNBAFXUPHLIM-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263279;MM263279;C=C(CCF)OC(=O)OC;FHWMOHAVZAIOJU-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263280;MM263280;CN1C(C(=O)CF)C1(C)C;XAWSIXZXHJWOMG-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263281;MM263281;CCNC(=N)OC(=N)NC;QQNMZRLTHRHXEO-UHFFFAOYSA-N;144.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263282;MM263282;CNN=C(C)NOC(N)=O;DIFNQPZBJKIKMD-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263283;MM263283;C=C(CC)OC(=O)OCC;YFYWHOTXFPLVJH-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263284;MM263284;C=C(CC)CC(=C)CC#N;XUYZWSLXDAKYDV-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263285;MM263285;C=CCC(=C)CC(=C)CO;XAWXKEKPZHGTNF-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263286;MM263286;C=C(CO)CC(=C)CC#N;GMIIKTVDCXJPKK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263287;MM263287;C=CCC(=C)CC(=C)CF;ZIIIJHDZFSLAAI-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263288;MM263288;C=C(CF)CC(=C)CC=O;AXQPQHFKMNKOHX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263289;MM263289;C=C(CF)CC(=C)CC#N;CIILGSFKORDUSU-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263290;MM263290;C=CCC(=C)CC(=O)CC;BCSALBDJAQHEIS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263291;MM263291;C=C(CC=O)CC(=O)CC;SQBLUEWTIFYOJN-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263292;MM263292;C=CCC(=C)CC(=O)CF;DXHOFLPDZJPCRT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263293;MM263293;C=C(CC=O)CC(=O)CF;FXIHQIKMLJOTMF-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263294;MM263294;C=CCC(=O)CC(=C)CC;AAMTUOIGDSKFCX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263295;MM263295;C=CCC(=O)CC(=C)CF;KZVVBLFIUQIVEF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263296;MM263296;C=CCC(=O)CC(=O)CC;FCJNFFYWOMDINQ-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263297;MM263297;C=CCC(=O)CC(=O)CF;XPXZLSOBMIPNOE-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263298;MM263298;C=CCC(=C)CC(=N)NC;HYSWOIUTUJSAFX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263299;MM263299;C=CCC(=C)CC(=N)NO;FGWHACLSZYCHQJ-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263300;MM263300;C=CCC(=C)CC(=O)NC;FDLJWLBXSVDQGJ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263301;MM263301;C=C(CC=O)CC(=O)NC;LNQJCFZOHOZMSI-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263302;MM263302;C=C(CC#N)CC(=O)NC;AAHOPYLTGHRBTL-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263303;MM263303;C#CC(=O)N(N)CC(N)=O;CSWHRYGTKBXFEC-UHFFFAOYSA-N;141.13;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263304;MM263304;C=C(CC#N)CC(=O)NO;HDXHBPFUHJOACE-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263305;MM263305;N#CCC(=O)CC(N)=NO;AJHAXWWSJGOXSF-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263306;MM263306;N#CCC(=O)CC(=O)NO;HSEWZDVMFLPRER-UHFFFAOYSA-N;142.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263307;MM263307;C=CCC(=C)CC(=C)OC;NWLIMKLHGWMKRR-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263308;MM263308;C=C(CC=O)CC(=C)OC;DSYSOOJUIBRLEA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263309;MM263309;C=C(CC#N)CC(=C)OC;GWRCOZIYRRWNCF-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263310;MM263310;C=CCC(=O)CC(=C)OC;ITOWLCJWMSKRSG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263311;MM263311;C=C(CN)CC(=C)NC=N;RCBQPWOZTKJNMX-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263312;MM263312;C=C(CO)CC(=C)NC=O;ORQWCPSZRPCDKY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263313;MM263313;C=C(CF)CC(=C)NC=N;LTUQVAWFVFKWGE-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263314;MM263314;C=C(CF)CC(=C)NC=O;DQAVJJWPRNYRAO-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263315;MM263315;C=C(CC(=O)CC)NC=O;RMFLFEIGFFWNSD-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263316;MM263316;C=C(CC(=O)CO)NC=O;FBHLASJDGKUZKN-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263317;MM263317;C=C(CC(=O)CF)NC=N;CHYDVPOHCMFKRM-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263318;MM263318;C=C(CC)CC(=N)NC=N;OFQQPGREOSILAR-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263319;MM263319;C=C(CN)CC(=N)NC=N;RMTIMZHVRLAUFI-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263320;MM263320;C=CNC(=N)CC(=C)CO;CSVBRQAXZANDFB-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263321;MM263321;C=C(CF)CC(=N)NC=N;KCGQDSCSBLUSDC-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263322;MM263322;CCC(=O)CC(=N)N=CN;UZJHITLBJFICRK-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263323;MM263323;C=CNC(=N)CC(=O)CF;NDRMNHOOSANNHX-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263324;MM263324;N=CNC(=N)CC(=O)CF;HGQPQQBMTRBGSI-UHFFFAOYSA-N;145.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263325;MM263325;C=CNC(=O)CC(=C)CN;UHSXSAQHOCJQDK-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263326;MM263326;C=CNC(=O)CC(=C)CO;BOARAGRUCJPSPM-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263327;MM263327;C=C(CC#N)C(=O)NCC;NEKSTTUVLJHVTM-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263328;MM263328;C=C(CF)CC(=O)NC=O;HMHVYKFGMCKZPG-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263329;MM263329;N=CNC(=O)CC(=O)CO;ODNIBUJZPRCREO-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263330;MM263330;N=CNC(=O)CC(=O)CF;FOBXKJKZEHTMAQ-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263331;MM263331;O=CNC(=O)CC(=O)CF;PIMMDQGNORYBOC-UHFFFAOYSA-N;147.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263332;MM263332;C#CCC=NN(C)C(N)=O;LHZNYVYDRXSMCS-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263333;MM263333;CN(CC=O)C(=N)C(N)=O;PNYGXQKRYVAGEH-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263334;MM263334;C=C(CC(=N)NC)NC=N;GLKPHMVMYMVKQR-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263335;MM263335;C=C(CC(=N)NN)NC=O;SCRMEHJLFDQNCV-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263336;MM263336;C=C(CC(=O)NC)N=CN;NWBLZPUQEJJHIE-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263337;MM263337;C=C(CC(=O)NC)NC=O;BBQIVBOGTBQMGN-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263338;MM263338;C=CNC(=N)CC(=N)NC;PMZJRXUZUIFRTH-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263339;MM263339;CNC(=N)CC(=N)NC=O;ZMPJFHQLZUAIDO-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263340;MM263340;N=CNC(=N)CC(=N)NN;KXYQYBUONVWONH-UHFFFAOYSA-N;142.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263341;MM263341;N=C(CC(=N)NC=O)NN;KBTWDXWLNFODRH-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263342;MM263342;C=CNC(=N)CC(=N)NO;YCGBBDCVRMERGR-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263343;MM263343;N=C(CC(=N)NC=O)NO;RHYGMMVJRHTVEZ-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263344;MM263344;CN(C(=N)C=CF)C(N)=O;ZISGTAGFVOFHLK-UHFFFAOYSA-N;145.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263345;MM263345;C=CNC(=N)CC(=O)NN;YSOFHPVZSZMJCL-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263346;MM263346;N=C(CC(=O)NN)N=CN;YMZUARHAQRCRBR-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263347;MM263347;C=CNC(=O)CC(N)=NC;MCYUEJAPJDYYIP-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263348;MM263348;N=CNC(=O)CC(N)=NO;AJHNXIJPDUXARM-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263349;MM263349;C=CNC(=O)CC(=O)NC;OTBKHAXVAWZSDI-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263350;MM263350;N=c1cc[nH]c(N)nc1=O;ZHUUDLAECIJVAK-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263351;MM263351;NNC(=O)CC(=O)NC=O;OTNKWRAYKFOZMU-UHFFFAOYSA-N;145.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263352;MM263352;O=CNC(=O)CC(=O)NO;VDGBTCOIGLGNRT-UHFFFAOYSA-N;146.1;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263353;MM263353;C=NNC(=N)CC(=N)NC;UTVYSOHBKRCRDV-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263354;MM263354;C=NNC(=N)CC(=N)NN;LQRHMMYMLVEFEV-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263355;MM263355;C=NNC(=N)CC(=N)NO;VXILNOVVNIYUBT-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263356;MM263356;C=NN=C(N)CC(=O)NO;CYLNJYNDVAZYIX-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263357;MM263357;C=NNC(=O)CC(N)=NO;PUKUCGBWTWJSKO-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263358;MM263358;C=C(CO)CCN(N)C=O;SCLKKNBYCBAYKF-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263359;MM263359;C=C(CC(=C)OC)NC=N;FIYUMJNDVIDAGB-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263360;MM263360;C=CNC(=N)CC(=C)OC;UDZBMOXOYVRQAR-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263361;MM263361;C=C(CC(=N)NC=N)OC;VXDOHLVYENUTRW-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263362;MM263362;CNC1(C#N)CC1C(C)O;AZHZILLOAQOLGV-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263363;MM263363;C=CNC(=N)CC(=O)OC;GKOOOKFEVQXFEA-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263364;MM263364;COC(=O)CC(=N)N=CN;IBXSURAKGAKWPE-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263365;MM263365;C=C(CC(=O)NC=O)OC;BTTLGZAJFSEBBB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263366;MM263366;C=CNC(=O)CC(=O)OC;AMFCFZIZXMGCQW-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263367;MM263367;COC(=O)CC(=O)NC=O;CTYIDUDICHXGPU-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263368;MM263368;CCC(O)CC1(C#N)CN1;SZFJLGYUJTUSLC-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263369;MM263369;C=COC(=O)CC(=C)CC;FOWHHVZRCJANAI-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263370;MM263370;C=COC(=O)CC(=C)CN;CLCGSGMUUJUTKN-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263371;MM263371;C=COC(=O)CC(=C)CF;AFQNEJLFIAEUDI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263372;MM263372;C=NOC(=O)CC(=C)CC;STQXEOVYWSTMTD-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263373;MM263373;C=NOC(=O)CC(=C)CF;WRKUJNUZBCYIRG-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263374;MM263374;C=NOC(=O)CC(=O)CF;PCYSIQQOAWOROI-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263375;MM263375;C=COC(=C)CC(=N)NC;MDGOTBUWBANQNW-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263376;MM263376;C=COC(=C)CC(=N)NN;RSFZBFRIPOFQOC-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263377;MM263377;C=COC(=C)CC(=N)NO;NRMSSGSGACRWSO-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263378;MM263378;C=COC(=C)CC(=O)NC;ATYMRZDVPCMFDQ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263379;MM263379;C=COC(=C)CC(=O)NO;JKAHNQCZJFJZEL-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263380;MM263380;C=NOC(=O)CC(N)=NC;WNLSAIFQRAPGAU-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263381;MM263381;C=C(CO)CC1(C=O)CN1;IOLKTBHPEGMXMH-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263382;MM263382;C=C(CO)CC1(C#N)CN1;KVRPGFHJPYOGAL-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263383;MM263383;C=NOC(=O)CC(=O)NO;TUGPNCGMNNTNPQ-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263384;MM263384;C=COC(=C)CC(=C)OC;KATMGBYQCQPBQA-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263385;MM263385;C=NOC(=O)CC(=C)OC;SBFXIPSDXOFOFO-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263386;MM263386;C=CCC(=C)NC(=N)CC;FRSLXXNDGYPPNF-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263387;MM263387;C=CCC(=C)NC(=N)CO;LPYWEAZMFXPZFE-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263388;MM263388;C=C(CC#N)NC(=O)CC;JNSMXAKRDICRRW-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263389;MM263389;C=C(CC#N)NC(=O)CO;FAFFNLHJWQRKEI-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263390;MM263390;C=CCC(=C)NC(=O)CF;PPYXVNQUDDLSAW-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263391;MM263391;C=CCC(=N)NC(=C)CC;KBPXNXOEIBPWRZ-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263392;MM263392;C=CCC(=N)NC(=C)CF;YSIFAZJPWFQLQM-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263393;MM263393;C#CC1(CC(=C)CO)CN1;WPGBORZVPXHLKN-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263394;MM263394;N#CCC(=N)NC(=O)CO;ROSMQRKYXPWGML-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263395;MM263395;C=C(CC)NC(=O)CC#N;MOPCKVXFTIQCDA-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263396;MM263396;C=C(CO)NC(=O)CC#N;PYFKGXGNZZXISY-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263397;MM263397;N#CCC(=O)NC(=N)CO;BOJPLEJUEFQLTL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263398;MM263398;C=CCC(=O)NC(=N)CF;POFZDRVSKLAKHT-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263399;MM263399;C=CCC(=C)NC(=O)NC;QUQYPUJDOFICPA-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263400;MM263400;C=CCC(=C)NC(=O)NO;JKNKOQROFQBLBN-UHFFFAOYSA-N;142.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263401;MM263401;C=CCC(=N)NC(=N)NC;GZUFCRJJTRFSOP-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263402;MM263402;CNC(=N)N=C(N)CC=O;VIHALUUHSYNIOW-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263403;MM263403;C=CCC(=N)NC(=N)NN;NWYIGOXQKRNUHF-UHFFFAOYSA-N;141.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263404;MM263404;C=CCC(=N)NC(=N)NO;GSMGKBVLIWICHQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263405;MM263405;CCC=NN(C)C(=O)NC;ZWFRFTXAHVLARR-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263406;MM263406;N=C(CC=O)NC(=O)NO;RIHKXCHLTCZTKI-UHFFFAOYSA-N;145.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263407;MM263407;CNC(=N)NC(=O)CC=O;VWUVLNAVZQYZFY-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263408;MM263408;C=C(NC=O)NC(=N)CN;WYGJBHRLAZKKTB-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263409;MM263409;C=C(NC=N)NC(=N)CO;BZXABRKFIAIQNV-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263410;MM263410;C=C(NC=O)NC(=N)CO;VMCUFEXUYYNDNV-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263411;MM263411;C=C(NC=N)NC(=N)CF;NIZTUTYYDUCRNJ-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263412;MM263412;C=C(N=CN)NC(=O)CC;YRWAHUWTTPPCEH-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263413;MM263413;C=C(N=CN)NC(=O)CN;DYMHGYURBREOIY-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263414;MM263414;C=C(N=CN)NC(=O)CO;OOMPVCJJVSPANS-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263415;MM263415;C=C(NC=N)NC(=O)CF;MIWNKYXLVVBQRT-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263416;MM263416;C=CNC(=N)NC(=C)CC;MROCQYJIXVYVER-UHFFFAOYSA-N;139.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263417;MM263417;C=C(CC)NC(=N)NC=N;AGCFQHFYOWOQND-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263418;MM263418;C=C(CN)NC(=N)NC=O;VLLRURGRQQYLNO-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263419;MM263419;C=C(CO)NC(=N)NC=N;MBBFBRMXUWVECZ-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263420;MM263420;C=C(CO)NC(=N)NC=O;LOJWOMYTOLQJKL-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263421;MM263421;C=C(CF)NC(=N)NC=N;JWCMRTMODQXXOZ-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263422;MM263422;C=C(CF)NC(=N)NC=O;MWPQTOYEWYOCJG-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263423;MM263423;CCC(=N)NC(=N)NC=N;OOVURAQIVRTREY-UHFFFAOYSA-N;141.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263424;MM263424;CCC(=N)NC(=N)NC=O;KGPWDIHXNVYSNE-UHFFFAOYSA-N;142.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263425;MM263425;N=CNC(=N)NC(=N)CN;YJIKEIGFNFAESB-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263426;MM263426;C=CNC(=N)NC(=N)CO;AMRTZSVHNUEYQX-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263427;MM263427;N=CNC(=N)NC(=N)CO;YZKLFSIVMCOZNJ-UHFFFAOYSA-N;143.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263428;MM263428;C=CNC(=N)NC(=N)CF;RQFJUYCREVZOIF-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263429;MM263429;N=CNC(=N)NC(=N)CF;ABJOGHVOJQKZKC-UHFFFAOYSA-N;145.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263430;MM263430;C=CNC(=N)NC(=O)CC;AAEKMTMOLLWVSB-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263431;MM263431;CNC(=O)C(C)=NN=CN;HYJHCNWLADWXCL-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263432;MM263432;C=CNC(=N)NC(=O)CO;WSEIJUMENCKQJW-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263433;MM263433;C=C(CO)CCON=CC;IGRORPBYEHKNNB-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263434;MM263434;N=CNC(=N)NC(=O)CF;WWNZVDXALSHURT-UHFFFAOYSA-N;146.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263435;MM263435;C#CCN(NC)C(=O)NC;BXMSTZSKKFRZJX-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263436;MM263436;C=CNC(=O)NC(=C)CC;DNBMJZRPTIKOQY-UHFFFAOYSA-N;140.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263437;MM263437;C=C(CN)NC(=O)NC=N;WKJOXNQRZHRDPS-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263438;MM263438;C=C(CN)NC(=O)NC=O;JJWGTQGEWAWJFM-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263439;MM263439;C=CC(ON=C)C(=O)NC;BJSZIBLPEZOCCR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263440;MM263440;C=C(CO)NC(=O)NC=O;IHGUHUOXKONCJZ-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263441;MM263441;C=C(CF)NC(=O)NC=O;AMZMIUCXPDLSJK-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263442;MM263442;CCC(C=NNC)C(C)O;MMIVTRYZKGNOPT-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263443;MM263443;CC=Cn1cnc(NC)n1;FRHKSZSSYYFAIH-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263444;MM263444;C=CNC(=O)NC(=N)CO;PNUDTUQWXCFMPL-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263445;MM263445;CC=Cc1cc(NO)c[nH]1;UCTFGWOZGIBXMD-UHFFFAOYSA-N;138.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263446;MM263446;N=C(CF)NC(=O)NC=O;XECKSNUSIJFKKB-UHFFFAOYSA-N;147.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263447;MM263447;CCNc1cc(CO)c[nH]1;HRQIXAHQHNANTC-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263448;MM263448;C=CCC(O)CCN1CC1;CWLCGXSWDFIMSU-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263449;MM263449;O=CNC(=O)NC(=O)CO;PLPKJCNQMBESAK-UHFFFAOYSA-N;146.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263450;MM263450;C=NNC(=N)NC(=C)CO;ZYCVXQJAJWIWKH-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263451;MM263451;C=NNC(=N)NC(=N)CC;ZKDBHGRAVLWFBZ-UHFFFAOYSA-N;141.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263452;MM263452;C=NNC(=N)NC(=N)CN;ISMLTALQZKRZIJ-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263453;MM263453;C=NNC(=O)NC(=C)CN;INZOHHRABUDHQD-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263454;MM263454;C=NNC(=O)NC(=N)CF;XVOLHBNPHHQLIT-UHFFFAOYSA-N;146.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263455;MM263455;C=NNC(=O)NC(=O)CC;ZEJAYPAWWCBCSQ-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263456;MM263456;C=C(NC=O)NC(=N)NC;MRBNHEOWLVQIFP-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263457;MM263457;C=C(NC=N)NC(=N)NN;SEGWNJHCWGSGPC-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263458;MM263458;C=C(NC=N)NC(=O)NC;NPFPXVWAMOQDEW-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263459;MM263459;C=CNC(=N)NC(=N)NC;HSRSCZDEUMQXMU-UHFFFAOYSA-N;141.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263460;MM263460;CNC(=N)NC(=N)NC=N;KCMFAQVTNWWYQN-UHFFFAOYSA-N;142.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263461;MM263461;CNC(=N)NC(=N)NC=O;DPOLRNFZUZLEKN-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263462;MM263462;C=CNC(=N)NC(=N)NN;QMOGJHBWXXMVPD-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263463;MM263463;N=CNC(=N)NC(=N)NN;GUBVPDUTAWSAKH-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263464;MM263464;C=CNC(=N)NC(=N)NO;ZJVXWLLYVGSEGJ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263465;MM263465;CNC(=N)NC(=O)NC=N;MGESXTJATGUVJY-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263466;MM263466;C=CNC(=O)NC(=O)NC;LBYIIJZPOGHUTA-UHFFFAOYSA-N;143.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263467;MM263467;C=NN1CC1CC(=C)CO;GWOREXBVDFCHRG-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263468;MM263468;C=NNC(=N)NC(=N)NC;MKBBCHZMMQWTIH-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263469;MM263469;C=C(NC(=N)NC=N)OC;ZVFYHGQMTHPBLY-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263470;MM263470;CC=CC1NC1C(=O)CF;FSNOHHJQRJOPHK-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263471;MM263471;COC(=N)NC(=O)NC=O;IIOANYUYYVWRGK-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263472;MM263472;COC(=O)NC(=O)NC=N;JDHVNXJMJBOJPA-UHFFFAOYSA-N;145.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263473;MM263473;C=COC(=C)NC(=N)CC;PMSRZPVEUYVZTH-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263474;MM263474;C=COC(=C)NC(=N)CN;BSCNIBNWXATLPL-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263475;MM263475;C=C(NC(=N)CN)OC=O;MPWOMUXBIWXYGY-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263476;MM263476;C=COC(=C)NC(=N)CF;FNMWJXXASXWDNQ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263477;MM263477;C=C(NC(=O)CC)OC=O;ZRNBLYOTMHHMRS-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263478;MM263478;N#CC(C=O)CCN1CC1;DYCIHMYRJFDNIA-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263479;MM263479;CCC(=O)NC(=N)OC=O;LBPPZINCXLTGTJ-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263480;MM263480;N=C(NC(=O)CO)OC=O;UCCYBXCCYPJQIZ-UHFFFAOYSA-N;146.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263481;MM263481;C#Cc1nc(N)c[nH]1;SSOSKRGYAHUFTD-UHFFFAOYSA-N;107.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263482;MM263482;C=NOC(=N)NC(=O)CF;OFBQHPFBHKHJLS-UHFFFAOYSA-N;147.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263483;MM263483;Nc1cc(CO)c[nH]1;BBODRVLQPZXELZ-UHFFFAOYSA-N;112.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263484;MM263484;C=NOC(=O)NC(=N)CF;PSOUCBCOWOYJDP-UHFFFAOYSA-N;147.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263485;MM263485;C=NOC(=O)NC(=O)CO;AHKQFEKXGOKMND-UHFFFAOYSA-N;146.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263486;MM263486;N=C(NN)NC(=N)OC=O;BJQREASILRKRJI-UHFFFAOYSA-N;145.12;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263487;MM263487;N=C(NC(=O)NN)OC=O;SKRHJVPWIMYUIX-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263488;MM263488;N=C(NC(=O)NO)OC=O;SRRBNLHFIXMEHL-UHFFFAOYSA-N;147.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263489;MM263489;C=NOC(=N)NC(=N)NC;PSZYGRQZLPVOAO-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263490;MM263490;C=NOC(=N)NC(=N)NN;YFAUUTIZVGAYRR-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263491;MM263491;C=C(NC(=N)OC)OC=O;MHWDDBTXQQZITF-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263492;MM263492;C=COC(=C)NC(=O)OC;YNLVKEUPYBJLPQ-UHFFFAOYSA-N;143.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263493;MM263493;C=NNC1CC(C)(O)C1;ZGHUMNCDDIQRGV-UHFFFAOYSA-N;128.18;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263494;MM263494;COC(=O)NC(=N)OC=O;GMYBLQKPJBFUFU-UHFFFAOYSA-N;146.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263495;MM263495;C=C(CC)OC(=C)CC#N;FDXVBGTVYHUUNA-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263496;MM263496;C=CCC(=C)OC(=C)CO;HNAXTGYTLJGCPB-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263497;MM263497;C=C(CO)OC(=C)CC=O;PSTYYWYKOFDVTQ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263498;MM263498;C=CCC(=C)OC(=O)CC;WWDPTVKSLPAPSW-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263499;MM263499;C=C(CC=O)OC(=O)CC;JYXGXJVXMUJWKL-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263500;MM263500;C=C(CC#N)OC(=O)CC;ZHPBPSMLXXDWKK-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263501;MM263501;C=CCC(=C)OC(=O)CF;DJNUZPQGKUKDLE-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263502;MM263502;C=CCC(=O)OC(=C)CC;QGIJYVUYFSIZHF-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263503;MM263503;C=C(CO)OC(=O)CC=O;WPBOIMVXNQNEDW-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263504;MM263504;C=CCC(=O)OC(=C)CF;LBTOLOHAFIPDQK-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263505;MM263505;N#CC=C(N)CNC=O;PJQSJXUZOWRBBE-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263506;MM263506;C=C(CC)OC(=C)NC=N;PBGLOMABDKWWDD-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263507;MM263507;C=C(CN)OC(=C)NC=N;PLBQFKZUSZVMOV-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263508;MM263508;C=C(CN)OC(=C)NC=O;FOBMLUOQELKRBJ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263509;MM263509;C=C(CO)OC(=C)NC=N;OLTNTLLPZSDHAV-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263510;MM263510;C=C(CF)OC(=C)NC=O;WITUVQHFTSGWKC-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263511;MM263511;C=C(N=CN)OC(=O)CC;RLRXFCPXPILNMV-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263512;MM263512;N=C(NC=O)OC(=O)CO;MFPOKTWCFKKDIA-UHFFFAOYSA-N;146.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263513;MM263513;N=C(NC=O)OC(=O)CF;GZMOSYRZHHMDMK-UHFFFAOYSA-N;148.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263514;MM263514;C=CNC(=N)OC(=N)NC;NQZNYZSXCDNSMQ-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263515;MM263515;N=C(NC=O)OC(=O)NN;YRYSNSJUBFFMCN-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263516;MM263516;NC(=O)N(N)C=CCO;YHEDOKLTEUPZLX-UHFFFAOYSA-N;131.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263517;MM263517;COC(=O)OC(=N)NC=O;CATOOGZSILGZME-UHFFFAOYSA-N;146.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263518;MM263518;C=COC(=O)OC(=C)CC;NBMHXXYIKMMFMZ-UHFFFAOYSA-N;142.15;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263519;MM263519;C=NOC(=O)OC(=C)CF;MKFKITTXZWWSKX-UHFFFAOYSA-N;147.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263520;MM263520;C#CCC(=C)CC(=C)CC;SWBHOHAJAIHEAR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263521;MM263521;C#CCC(=C)CC(=O)CO;NAIPJDPHQGKGOJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263522;MM263522;C#CCC(=C)CC(=O)CF;WWJKJEVZMDIGIE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263523;MM263523;C#CCC(=O)CC(=C)CC;OPHWWTQQAFTSDZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263524;MM263524;C#CCC(=O)CC(=O)CC;MJROQIVPAWWJBY-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263525;MM263525;C#CCC(=C)CC(=N)NC;CJDOAXUOEBBCJL-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263526;MM263526;C#CCC(=C)CC(=N)NN;XEQVNSGDFBMTFS-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263527;MM263527;C#CCC(=C)CC(=N)NO;ZNFDWMAPTZEFSA-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263528;MM263528;C#CCC(=C)CC(=O)NC;CZXZSUHCJGUFCP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263529;MM263529;C#CCC(=C)CC(=C)OC;GKMNFPIBIDEOPJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263530;MM263530;C#CCC(=C)NC(=N)CO;QBTCZMWKNWYIGT-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263531;MM263531;C#CCC(=N)NC(=C)CC;KCRUGZQHEMOIOW-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263532;MM263532;C#CCC(=N)NC(=N)CN;APGHKCSROPGKJD-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263533;MM263533;C#CCC(=N)NC(=N)CO;ITPABXGPMIDNMO-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263534;MM263534;C#CCC(=N)NC(=O)CO;VVNHFLLBEZRCEF-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263535;MM263535;C#CCC(=N)NC(=O)CF;FPCVWOSNMZUQAL-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263536;MM263536;C#CCC(=O)NC(=C)CC;OEJQCMSNLSNGGY-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263537;MM263537;C#CCC(=O)NC(=C)CN;JCKLEIYQXUMGQX-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263538;MM263538;CCNC(C#N)C(C)=O;AEQOXWQXOBVDKY-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263539;MM263539;C#CCC(=O)NC(=N)CO;LKNKHSBXEYLCHD-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263540;MM263540;C#CCC(=O)NC(=O)CO;NVHIUDBGVMCJSV-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263541;MM263541;C#CCC(=C)NC(=N)NN;RBGZNKUOURWCMO-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263542;MM263542;C#CCC(=N)NC(=N)NC;UAKIXBGNPHXZMY-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263543;MM263543;C#CCC(=N)NC(=N)NO;KRFWOLATHNHDOE-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263544;MM263544;C=NN1CC(C(C)O)C1;VEHBMWXJJZMHLE-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263545;MM263545;C#CCC(=N)NC(=O)NO;SISXJVPBLONULB-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263546;MM263546;C#CCC(=O)NC(=N)NC;ZXYLQFAXOZFAFX-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263547;MM263547;C#CCC(=O)NC(=N)NN;AJWTYVSNPXENBY-UHFFFAOYSA-N;140.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263548;MM263548;C#CCC(=O)NC(=O)NC;OOAWDUBQAAFHIJ-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263549;MM263549;C#CCC(=O)NC(=O)NN;KPEKTJYFBYLADH-UHFFFAOYSA-N;141.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263550;MM263550;C#CCC(=O)NC(=O)NO;DAYZLYGGODOHJD-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263551;MM263551;C#CCC(=C)NC(=N)OC;DPXMZPKLBWHCRG-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263552;MM263552;C#CCC(=C)NC(=O)OC;NILHHTLQKYQORQ-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263553;MM263553;C#CCC(=N)NC(=O)OC;FMOXCXDOLQNPJQ-UHFFFAOYSA-N;140.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263554;MM263554;C#CCC(=O)NC(=C)OC;NMLXKSAMOHBOCF-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263555;MM263555;C#CCC(=O)NC(=N)OC;NNTHSJVNRHXBLY-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263556;MM263556;C#CCC(=O)NC(=O)OC;IEHJQTUNEVZJEJ-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263557;MM263557;C#CCC(=C)OC(=O)CO;XOTDYRBTWAXOIT-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263558;MM263558;C#CCC(=C)OC(=O)CF;OALMZLNOTMQSIO-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263559;MM263559;C#CCC(=O)OC(=C)CC;QOZUZTTVHPVCCT-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263560;MM263560;C#CCC(=O)OC(=C)CO;OOLNAXXEXMXFMH-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263561;MM263561;C#CCC(=O)OC(=C)CF;NTKRNQVYFLMZPR-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263562;MM263562;C#CCC(=C)OC(=O)OC;DMWDDXQJFWCCPA-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263563;MM263563;C=CC(=C)CC(=C)CCN;DACGFWAINLIZKS-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263564;MM263564;C=CC(=C)CC(=C)CCF;ZAJXESBFGRCTRM-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263565;MM263565;C=C(C#N)CC(=C)CCC;SQTYOAUNENQDSM-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263566;MM263566;C=C(C=O)CC(=C)CCF;QZHCHIXFCBXRDK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263567;MM263567;C=CC(=O)CC(=C)CCF;YCMVBBSDVYBOHD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263568;MM263568;C=C(CCC)CC(=O)C#N;LJPROOPXOODDRC-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263569;MM263569;C=C(CCF)CC(=O)C#N;VBOPGHGQCOWEDK-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263570;MM263570;C=CC(=C)CC(=O)CCC;SGUPLJRKHGLNKF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263571;MM263571;C=CC(=C)CC(=O)CCF;STBXHWSQZDWCNJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263572;MM263572;C=C(C=O)CC(=O)CCC;XIVYMEYIMUYNMA-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263573;MM263573;C=C(C=O)CC(=O)CCO;WKWGTHFOKCFSSG-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263574;MM263574;C=C(C#N)CC(=O)CCF;RMIGNSRYABIUBW-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263575;MM263575;C=CC(=O)CC(=O)CCC;AGDZBDXJVUEYTK-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263576;MM263576;C=CC(=O)CC(=O)CCO;HQTBQBVETSGBPJ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263577;MM263577;Nc1nn(O)cc1O;IEJOAKPNXKCQTH-UHFFFAOYSA-N;115.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263578;MM263578;CON=CCCC(=O)O;SEHGJFLFJFRBAO-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263579;MM263579;N=c1cc(C=O)oc(O)n1;MGQANSBDGOUNFV-UHFFFAOYSA-N;140.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263580;MM263580;C=C(C=O)CC(=O)CNC;CQZXPEVEHPFZAO-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263581;MM263581;C=C(COC)CC(=O)C=O;YVOKTCNJVFOZOI-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263582;MM263582;C=C(C#N)CC(=O)COC;NWIQAPFYHBKMRZ-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263583;MM263583;C=CC(=C)CC(=O)NCC;GVWRJLPLQKPZDU-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263584;MM263584;C=C(C#N)CC(=O)NCC;AYPJAYVADLAANB-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263585;MM263585;Nc1noc(C=O)c1N;NYVXTWAFTMCSBT-UHFFFAOYSA-N;127.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263586;MM263586;C#CCC(=O)C1NC1C;WILOTVIHTKHGBV-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263587;MM263587;C=CC(=C)CC(=N)NOC;BUTWLEBUZVXUDU-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263588;MM263588;CON=CC(C)OC(N)=O;DERNOLYYVQAQLT-UHFFFAOYSA-N;146.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263589;MM263589;C=CC(=O)CC(=O)OCC;IEZWUJDDYLWKEP-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263590;MM263590;C=CC(=N)NC(=C)CCC;CEZUPXJFYXFJMY-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263591;MM263591;C=CC(=N)NC(=C)CCN;QIFATUHBSRMQIF-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263592;MM263592;C=C(CCC)N=C(N)C=O;WSZFOPHDBDCIKE-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263593;MM263593;CC(C=O)ON=CC(N)=O;URHQISQHEJCDQO-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263594;MM263594;C=CC(=O)NC(=C)CCC;MTVSFPPTBHWFJY-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263595;MM263595;C=CC(=O)NC(=C)CCN;KMBWDQOVNLRMLY-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263596;MM263596;C=CC(=O)NC(=C)CCO;LCNRSSKSLJUSGQ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263597;MM263597;C=C(CCC)NC(=O)C=O;KIAVLIAYMKDPEL-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263598;MM263598;C=C(CCO)NC(=O)C=O;ZKMWRUFRLOAZCF-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263599;MM263599;C=CC(=C)NC(=N)CCC;FWJMCUBOTYQCAO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263600;MM263600;C=CC(=C)NC(=N)CCN;WAMGSQBZUICXPJ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263601;MM263601;C=CC(=C)NC(=N)CCO;WKHMFNIEXSQQNG-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263602;MM263602;C=CC(=C)NC(=N)CCF;PSRDVJWPTNREQV-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263603;MM263603;C=C(C#N)NC(=N)CCC;CCTUNEJWHSVHLJ-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263604;MM263604;CC=NOCCNC(N)=O;UAPQKZPEKJQFLK-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263605;MM263605;CCNN=CNOC(N)=O;KNFFJIQBSFOOLR-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263606;MM263606;C=CC(=C)NC(=O)CCC;YKGDRDIHOKCYIH-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263607;MM263607;C=CC(=C)NC(=O)CCO;CDCKBCZGBWMXCB-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263608;MM263608;C=C(C=O)NC(=O)CCO;INASMYYCZRGBHS-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263609;MM263609;C=C(C(N)=O)C(C=O)CO;FNONGVNUTKCTAH-UHFFFAOYSA-N;143.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263610;MM263610;C#CCON=C(C)C(N)=O;NWASAPWLOQXCDF-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263611;MM263611;C=NN1CC(C(=O)O)C1;QLMGMEGOOLAYCB-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263612;MM263612;C=NN(C)CC(=O)O;CNDSOXAVZCJRHU-UHFFFAOYSA-N;116.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263613;MM263613;C=CC(=O)NC(=O)CCC;SNGIAICUHMKOEP-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263614;MM263614;C=CC(=O)NC(=O)CCO;BCONETYDMAHHHS-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263615;MM263615;C=CC(=N)NC(=C)CNC;SVCOOQLWEOSERI-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263616;MM263616;C=CC(=C)NC(=N)CNC;WSDHLAZZGGXTBN-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263617;MM263617;C=C(C=O)NC(=N)CNC;BAPBGYBAVZGBRD-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263618;MM263618;C=C(C#N)NC(=N)CNC;CPICGPIEFDSOBS-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263619;MM263619;C=C(C=O)NC(=O)CNC;TTZBVRMTBBNFOV-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263620;MM263620;C=CC(=N)NC(=O)CNC;SADBZVBNWVLCHI-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263621;MM263621;C=CC(=C)NC(=N)COC;DGRJXJATFFLOPQ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263622;MM263622;C=CC(=N)NC(=N)COC;ILQARNODSYZZDY-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263623;MM263623;C=CC(=O)NC(=N)COC;TVINJKKDQONPIQ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263624;MM263624;C=C(C#N)NC(=O)COC;CCRLKGXLKJDQBG-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263625;MM263625;CC=NN1CC(C(C)O)C1;ZCAKODNHEYPRSZ-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263626;MM263626;C=CC(=O)NC(=O)COC;UEPVVEVQOMVUAH-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263627;MM263627;C=CC(=N)NC(=N)NCC;UAJOKKJNIZUEJJ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263628;MM263628;CCNC(=N)N=C(N)C=O;PVKMBHYKPZALBV-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263629;MM263629;C=CC(=O)NC(=N)NCC;ZITVBCDPUKAWKQ-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263630;MM263630;C=CC(=O)NC(=N)NNC;ZXUMCLPIQBXBCL-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263631;MM263631;CNC(=O)CC(C#N)=CN;ZTGILUYQRUJJNB-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263632;MM263632;O=c1o[nH]c(=NC2CC2)o1;CDBCZNUTSDSZHE-UHFFFAOYSA-N;142.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263633;MM263633;N=CN(C=O)OCC(N)=O;AREAZDGVVFSCKH-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263634;MM263634;C=CC(=C)NC(=N)NOC;CXHZXOABPUBDEK-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263635;MM263635;CONC(=N)N=C(N)C=O;PRBVSYURGKHELX-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263636;MM263636;C=CC(=C)NC(=O)NOC;NSLZIEJGTXKFTJ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263637;MM263637;C#CC1(CC(O)CC)CN1;YBCPWDRIRJGVSC-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263638;MM263638;C=CC(=N)NC(=C)OCC;OCEUKQQWCHGZGZ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263639;MM263639;C=C(NC(=N)C#N)OCC;AEJVPOWGRZNYJJ-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263640;MM263640;C=CC(=O)NC(=C)OCC;SMICTQSNHSLTMZ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263641;MM263641;C=C(NC(=O)C#N)OCC;RHNFBEZOAYSESV-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263642;MM263642;CCN=C(NN)C(=O)NC;GVXWCUYWXGGRAH-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263643;MM263643;C=CC(=C)NC(=O)OCC;XRNDBYSDGKMPFZ-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263644;MM263644;C=CC(=O)NC(=O)OCC;IPZIVCLZBFDXTA-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263645;MM263645;C=CC(=C)OC(=C)CCO;GBWZAGDVJLFMCC-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263646;MM263646;C=C(C=O)OC(=C)CCC;AMVQMEFUZULNOQ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263647;MM263647;C=C(C#N)OC(=C)CCC;AYMNMKRNDLAEJW-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263648;MM263648;C=CC(=O)OC(=C)CCF;MOKXJYGWXOPCAQ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263649;MM263649;C=C(CCO)OC(=O)C=O;XOCJZSNGXKMQLD-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263650;MM263650;C=C(CCF)OC(=O)C=O;OGQWTWNUZSPGDM-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263651;MM263651;C=C(CCF)OC(=O)C#N;YEFLSEBEBUUXMU-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263652;MM263652;C=CC(=C)OC(=O)CCC;ZDCSUEHBJJXSKQ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263653;MM263653;C=CC(=C)OC(=O)CCN;RUGWCOHLUYZDAS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263654;MM263654;C=C(C#N)OC(=O)CCC;FGUKXNWWBCBQOU-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263655;MM263655;C=C(C=O)OC(=O)CCO;OBCZWOPRQOKYBG-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263656;MM263656;C=CC(=O)OC(=C)CNC;ZHQJDCGYSZCBLX-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263657;MM263657;C=C(CNC)OC(=O)C=O;JOWUUFCUFXSLQB-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263658;MM263658;C=C(C#N)OC(=O)COC;QNDVNGQUCXIMJN-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263659;MM263659;C=CC(=C)OC(=O)OCC;GIPMOSRBYWGQBJ-UHFFFAOYSA-N;142.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263660;MM263660;C=C(C#N)OC(=O)OCC;IHACYHISAXGZGX-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263661;MM263661;C=CCC(=C)CC(=C)C=C;GPRZRFGUHPEEIU-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263662;MM263662;C=CC(=C)CC(=C)CC=O;FDQBHIXOASMGCL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263663;MM263663;C=CCC(=C)CC(=C)C#N;PXFJHKVKXOQRNR-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263664;MM263664;C=C(C=O)CC(=C)CC=O;BHGHRTAQCWWTAI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263665;MM263665;C=C(C#N)CC(=C)CC=O;GFGWNNFDIGLGGQ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263666;MM263666;C=CCC(=C)CC(=O)C=C;TZRPJKIJTZTVGM-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263667;MM263667;C=CC(=O)CC(=C)CC=O;POQFVDVYUQRBNN-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263668;MM263668;C=C(CC#N)CC(=O)C=O;QIJPOIPKGNSISG-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263669;MM263669;C=C(CC#N)CC(=O)C#N;SGVMCRAVOTXNAD-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263670;MM263670;C=CCC(=O)CC(=C)C=C;ZJIQMBPZKZMJGV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263671;MM263671;C=CCC(=O)CC(=C)C=O;BULAYWTVOCNADA-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263672;MM263672;C=CCC(=O)CC(=C)C#N;KLFZVPRQWGHLDM-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263673;MM263673;C=C(C=CC(=O)O)CC=O;CESNIKLNKWQQPO-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263674;MM263674;C=C(C#N)CC(=C)NC=N;IDMUSKQYTROMCO-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263675;MM263675;C=C(C#N)CC(=C)NC=O;PUDQTFNVQBDEAC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263676;MM263676;C=C(CC(=O)C=O)NC=N;DOIHFERVQHBBEA-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263677;MM263677;C=C(C#N)CC(=N)NC=N;ZKQCBAYXECRPRI-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263678;MM263678;NN=C(N)C(=NN)C(N)=O;HKMQPUAIDLSLOA-UHFFFAOYSA-N;144.14;-2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263679;MM263679;N=CN(CC=CF)C(N)=O;ZJTNCAIQGWRMAH-UHFFFAOYSA-N;145.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263680;MM263680;NN=CCN(C=O)C(N)=O;PBJRMTWQBHKITK-UHFFFAOYSA-N;144.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263681;MM263681;C=CNC(=O)CC(=C)C=C;ZVYJOXRGJWWBQX-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263682;MM263682;C=CNC(=O)CC(=C)C#N;HDBSSLZUCPAYEC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263683;MM263683;CN=C(NCCO)C(N)=O;DBLNDPJRKWEOHS-UHFFFAOYSA-N;145.16;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263684;MM263684;C=C(CC(=O)O)NC(C)=O;UIVSSRBXDCHDNH-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263685;MM263685;C=Cn1nc(N)n(N)c1=O;UJOOOYZNWXEFHC-UHFFFAOYSA-N;141.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263686;MM263686;C=NNC(=O)CC(=C)C#N;DHMRJHYIRDQJCP-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263687;MM263687;C=CC(=C)CC(=C)OC=O;ZEBUJDSLRCMTCU-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263688;MM263688;C=COC(=C)CC(=C)C=O;WNSJXKTXQQHSPS-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263689;MM263689;C=COC(=C)CC(=C)C#N;KYSRLNGNKFXEJV-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263690;MM263690;C=C(C#N)CC(=C)OC=O;CVCKUYFTQRPGDP-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263691;MM263691;C=COC(=C)CC(=O)C=C;FCNVUSBNGYHPFB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263692;MM263692;C=COC(=C)CC(=O)C#N;MSDRQIJEVAHTAF-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263693;MM263693;C=CC(=C)CC(=O)ON=C;IZSCQYCHZSLTEO-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263694;MM263694;C=CCC(=C)NC(=N)C=C;VNKREJNPKRNWAC-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263695;MM263695;C=CCC(=C)NC(=N)C=O;PBWHBFCXCUOFIN-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263696;MM263696;C=CC(=O)NC(=C)CC#N;RXAAIYJYCFDOTA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263697;MM263697;C=CCC(=C)NC(=O)C=O;ZGKLLWNHZCZISC-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263698;MM263698;C=CCC(=C)NC(=O)C#N;WNFCQSXXAQFAIO-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263699;MM263699;C=C(CC=O)NC(=O)C=O;VAJXRRRNDUVCOB-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263700;MM263700;C=CCC(=N)NC(=C)C#N;PHTYPPDNYPSQJV-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263701;MM263701;C=CCC(=N)NC(=N)C=C;ZJDKWEDXJGUODK-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263702;MM263702;C=CC(=O)NC(=N)CC#N;ZCBWESFLTMPALG-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263703;MM263703;C=CCC(=O)NC(=C)C=C;BCDMOFSKTQQCIS-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263704;MM263704;C=CC(=C)NC(=O)CC#N;RITAIYKGHAROOG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263705;MM263705;C=C(C#N)NC(=O)CC=O;DQZXDAWBNYZKEU-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263706;MM263706;C=CC(=N)NC(=O)CC#N;TWJXUFAHCRKYFA-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263707;MM263707;C=CC(=O)NC(=O)CC=O;WPVABBUQNJRPMT-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263708;MM263708;C=C(C=CC(=O)O)C(C)=O;FPCHYUPSOBHBGX-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263709;MM263709;C=CC(=N)NC(=C)NC=N;SRYFRUPNPWRCRQ-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263710;MM263710;C=C(NC=N)NC(=N)C=O;MIEDAPRKKPFLPD-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263711;MM263711;C=NN=C(N)C(C=O)CO;KRVGKWQALFIUPU-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263712;MM263712;C=CNC(=N)NC(=C)C=O;PIBNZRQHVFAUFZ-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263713;MM263713;C=C(C#N)NC(=N)NC=N;VGCGOUVYRKMGRB-UHFFFAOYSA-N;137.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263714;MM263714;C=CC(=N)NC(=N)NC=O;JINFOXGEGBKPRP-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263715;MM263715;C=CNC(=N)NC(=N)C=O;FSCIRPOTLOBOBY-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263716;MM263716;C=Cn1cnc(N)n1;VLPMGEXXHDVLBC-UHFFFAOYSA-N;110.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263717;MM263717;C=CNC(=N)NC(=O)C=C;WXEDKMZTJVDGDF-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263718;MM263718;C=CC(=O)NC(=N)NC=N;FNKIBPCGXNQQKN-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263719;MM263719;C=CNC(=O)NC(=C)C=C;UHCJAYVAXGNOFZ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263720;MM263720;C=CC(=O)NCC(C)O;IPGRTXQKFZCLJS-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263721;MM263721;C=NOCCC(O)CC;PSQDJLBSWHYEPS-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263722;MM263722;C=CC(=O)NC(=O)NC=O;YWJNGTCBVSQICQ-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263723;MM263723;C=CC(=C)NC(=N)NN=C;GAXPHFHKILALKV-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263724;MM263724;C=CC(=C)NC(=O)NN=C;BEDQTKXVHXIHJN-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263725;MM263725;C=NNC(=O)NC(=C)C#N;XBKHZWAVYIUGAB-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263726;MM263726;C=COC(=C)NC(=N)C=C;LICKVCSSURAMAU-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263727;MM263727;C=CC(=N)NC(=C)OC=O;HUBLLIOQHCJQFR-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263728;MM263728;N=Cn1nc(N)c(N)n1;GQMPLYICQXKJMH-UHFFFAOYSA-N;126.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263729;MM263729;C=COC(=C)NC(=O)C=C;XEZPWDSIAYRYGT-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263730;MM263730;C=CC(=O)NC(=C)OC=O;FJFOILDYNVDRFI-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263731;MM263731;C=CC(=C)NC(=O)ON=C;BNGNMHGGWXAQHM-UHFFFAOYSA-N;140.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263732;MM263732;C=CC(=O)NC(=O)ON=C;IZBYFAMTOWMNGH-UHFFFAOYSA-N;142.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263733;MM263733;C=CCC(=C)OC(=C)C=C;ADBRMHOPLQSLTF-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263734;MM263734;C=CC(=C)OC(=C)CC#N;SNHAMXNQOPQAHO-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263735;MM263735;C=CCC(=C)OC(=C)C=O;OEZHDKHUJOVQFK-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263736;MM263736;C=C(C=O)OC(=C)CC#N;YODSHFDUZRAZHG-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263737;MM263737;C=C(C#N)OC(=C)CC=O;VBYZLTWZHQAIQV-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263738;MM263738;C=C(C#N)OC(=C)CC#N;KPPIAXZHXBFHAW-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263739;MM263739;C=CCC(=C)OC(=O)C=C;QTHMDHWMUWDVKQ-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263740;MM263740;C=CC(=O)OC(=C)CC#N;LHJAEIPQIYGDKQ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263741;MM263741;C=CCC(=C)OC(=O)C=O;VVNWYZVDORXAQP-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263742;MM263742;C=C(CC#N)OC(=O)C#N;SILHDWONXDIKCB-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263743;MM263743;C=CCC(=O)OC(=C)C=C;ZCUFCDRBDUVTBP-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263744;MM263744;C=CC(=C)OC(=O)CC#N;GSRPLEXKFWFLLO-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263745;MM263745;C=CCC(=O)OC(=C)C=O;ANXNEJXLLXQKMG-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263746;MM263746;C=CCC(=O)OC(=C)C#N;PXMMWDDMJHJGTL-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263747;MM263747;C=CC(=C)OC(=C)NC=N;RBUOJGQAJWCILI-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263748;MM263748;C=CC(=C)OC(=C)NC=O;YRCFEHDMILPYMS-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263749;MM263749;C=CC(=O)OC(=C)NC=O;LUIFAMDRTPVEMD-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263750;MM263750;C=CC(=O)OC(=N)NC=O;IGJZCQQHMRIGBT-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263751;MM263751;CNc1nc(C)n(N)n1;JLQOQNUJNXNKTP-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263752;MM263752;CC=Cn1cnc(N)n1;LRMSISHAOFFZMJ-UHFFFAOYSA-N;124.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263753;MM263753;C=COC(=O)OC(=C)C=C;WBDYMLCDUDVBJD-UHFFFAOYSA-N;140.14;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263754;MM263754;C=COC(=O)OC(=C)C#N;NOUCXEAEODMQLC-UHFFFAOYSA-N;139.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263755;MM263755;C=NOC(=O)OC(=C)C#N;QSMYBGQEFAEIOO-UHFFFAOYSA-N;140.1;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263756;MM263756;C#CCC(=C)CC(=C)C=O;SJQLWVDYXIHNKD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263757;MM263757;C#CCC(=C)CC(=O)C=O;OVZOEJOMVVRQKS-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263758;MM263758;C#CCC(=O)CC(=C)C=C;ZTTBFOSKHZMRLU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263759;MM263759;C#CCC(=C)NC(=O)C=O;UOELILQUSDKGBE-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263760;MM263760;C#CCC(=C)NC(=O)C#N;QHRSATUUFHJAES-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263761;MM263761;C#CCC(=N)NC(=C)C=C;WYBGICDAPWGWNI-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263762;MM263762;CCc1[nH]nc(N)c1F;JSPSWHDHHBHHET-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263763;MM263763;CN=NC=C(C=O)NO;YLKXTIIYQUGBND-UHFFFAOYSA-N;129.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263764;MM263764;CNc1cc(OC)no1;YANCFJCLNZMFFD-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263765;MM263765;C#CCC(=O)NC(=C)C=O;NQCIHARLGXQTJZ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263766;MM263766;C#CCC(=O)NC(=C)C#N;NHULBFPFRVEOEX-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263767;MM263767;C#CCC(=C)OC(=O)C=C;AZBSKFFXIOARKX-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263768;MM263768;C#CCC(=O)OC(=C)C=O;CJDNWUUDSOZEMO-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263769;MM263769;C#CCC(=O)OC(=C)C#N;KBZZBCSRUVSMNT-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263770;MM263770;C#CC(=C)CC(=C)CCN;GNMNLOLIGTXVKO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263771;MM263771;C#CC(=C)CC(=C)CCF;LQFQQQOLYTZTBI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263772;MM263772;C#CC(=O)CC(=C)CCC;JVILZVOFTNHRMR-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263773;MM263773;C#CC(=C)CC(=O)CCC;MCONGUKLZVICSU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263774;MM263774;C#CC(=C)CC(=C)CNC;KTYBIFFMZXNIRX-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263775;MM263775;C#CC(=C)CC(=N)NCC;NCLDBLGRJWLXOJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263776;MM263776;C#CC(=O)CC(N)=NCC;TUMSSGUWVFVNKP-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263777;MM263777;C#CC(=C)CC(=O)NCC;IGESMEXRFPXRDI-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263778;MM263778;CC(F)(F)C(C=NN)CO;WGTZYFXKTHBETJ-UHFFFAOYSA-N;152.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263779;MM263779;C#CC(=N)NC(=C)CCC;JQZXJFBLWPIKQJ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263780;MM263780;C#CC(=N)NC(=C)CCN;RQRIOMRYKMRKFA-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263781;MM263781;C#CC(=O)NC(=C)CCC;SJAIIOVWMMQKSI-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263782;MM263782;C#CC(=O)NC(=C)CCN;QXMFUTOATWUSRK-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263783;MM263783;C#CC(=O)NC(=C)CCF;OIQSOGSHZSPKOJ-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263784;MM263784;C#CC(=C)NC(=N)CCC;HEOLCLXWCICXQD-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263785;MM263785;C#CC(=C)NC(=N)CCN;ZGAVZMQAGKCNHB-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263786;MM263786;C#CC(=C)NC(=N)CCF;ONJBDOUFKMOWKM-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263787;MM263787;C#CC(=N)NC(=N)CCN;AZYRQOJTZSHWFJ-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263788;MM263788;C#CC(=N)NC(=N)CCO;HKYHDCIQOFVPHE-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263789;MM263789;C#CC(=N)NC(=N)CCF;QOWHAXFHELOYIX-UHFFFAOYSA-N;141.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263790;MM263790;CN(O)C=NN=CC(F)F;ZYVYEABYUSHBKH-UHFFFAOYSA-N;151.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263791;MM263791;C#CC(=N)NC(=O)CCO;FLDWYVLLAVXEFX-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263792;MM263792;C#CC(=O)NC(=O)CCO;COUMDOWZRZIYNU-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263793;MM263793;C#CC(=O)NC(=O)CCF;IEBSCQNYVDFXNH-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263794;MM263794;C#CC(=N)NC(=C)CNC;SCWSUHGHGQTJCY-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263795;MM263795;C#CC(=C)NC(=N)CNC;YUHYMZIUQOAIAB-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263796;MM263796;C#CC(=C)NC(=O)CNC;YOXCUAOXECPSPR-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263797;MM263797;C#CC(=N)NC(=O)CNC;HBBKUFXLZLDWDD-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263798;MM263798;C#CC(=C)NC(=N)COC;VDNRPQJKUFNRDK-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263799;MM263799;C#CC(=N)NC(=O)COC;BPGYCTZAUPVYAC-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263800;MM263800;C#CC(=O)NC(=O)COC;AGONCHZVSLTEHE-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263801;MM263801;C#CC(=N)NC(=N)NCC;ONVVSYPUQRBDCC-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263802;MM263802;C#CC(=C)NC(=N)NNC;OIIFWJWEDNWJGN-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263803;MM263803;C#CC(=N)NC(=N)NNC;NVWFZDZFSBIOAD-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263804;MM263804;C=C(C=NN)CC(O)CC;YZGWODGGLRQCIU-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263805;MM263805;CNC(=O)C(=N)NN(C)C;PRPQVSVCYLFTLH-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263806;MM263806;O=C(CCO)ON=CNO;RISXARYEEQODGL-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263807;MM263807;C#CC(=C)NC(=N)NOC;ZAEAUSCRARKSLX-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263808;MM263808;C#CC(=N)NC(=N)NOC;PAPVKVKASFSWSN-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263809;MM263809;C#CC(=O)NC(=O)NOC;UUJJERBCQGEQMS-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263810;MM263810;C#CC(=N)NC(=C)OCC;ACBUBTOLYDVANA-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263811;MM263811;C#CC(=O)NC(=C)OCC;AIOOPSYBMKCCRE-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263812;MM263812;C#CC(=C)NC(=O)OCC;DTSWQKWLOOMDFN-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263813;MM263813;C#CC(=O)NC(=O)OCC;QGPNNLJWJQRSEF-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263814;MM263814;C#CC(=C)OC(=C)CCC;NBVHIRCHPAKGNF-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263815;MM263815;C#CC(=C)OC(=C)CCN;MDKHCKLGOSXAGB-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263816;MM263816;C#CC(=O)OC(=C)CCF;YODWPQNCVPAGMN-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263817;MM263817;C#CC(=C)OC(=O)CCC;BTBFGJVYXZHMQO-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263818;MM263818;C#CC(=C)OC(=O)OCC;VQYXZKLXQMWRQJ-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263819;MM263819;C#CC(=C)CC(=C)CC=C;CNPFYRTZYPIJCH-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263820;MM263820;C#CC(=O)CC(=C)CC=C;IQESIPCYKJUGEM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263821;MM263821;C#CC(=O)CC(=C)CC=O;JRXAKOBYOYKXCA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263822;MM263822;C#CC(=C)CC(=O)CC=C;AZJFBWAAKPLEEX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263823;MM263823;C#CC(=O)CC(=O)CC=C;NRLYNWZLMLMOFW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263824;MM263824;C#CC(=C)CC(=C)NC=N;YLOFJVAOFFAJRX-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263825;MM263825;C#CC(=C)CC(=N)NC=C;OARNZCLJWIRXPW-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263826;MM263826;C#CC(=O)CC(=N)NC=N;MMPOYAQZPYFKNZ-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263827;MM263827;CC(O)C1CN(CC#N)C1;JQBDQDDMINSQKU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263828;MM263828;C#CC(=C)CC(=O)NC=C;VRYKUHNVLNIWGR-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263829;MM263829;C#CC(=C)CC(=O)NC=O;QCZGRKUNRJZGFN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263830;MM263830;C#CC(=O)CC(=O)NC=C;PWIVVBNFFMBJHQ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263831;MM263831;C#CC(=O)CC(=O)NC=N;CQGOVZLPYQYFOS-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263832;MM263832;C#CC(=O)CC(=O)NC=O;NNRMSAWHWPLPFN-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263833;MM263833;C#CC(=C)NC(=N)CC=C;XSLRXONPDOVXPL-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263834;MM263834;C#CC(=C)NC(=N)CC=O;SIMUQTVGPYSIIM-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263835;MM263835;CCC(O)CC1(C=O)CN1;IDPKQMUSDQAFDT-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263836;MM263836;C#CC(=C)NC(=O)CC=O;WIPBIZPABOVCER-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263837;MM263837;C#CC(=N)NC(=C)NC=N;AXQNBODSFUVMPL-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263838;MM263838;C#CC(=C)NC(=N)NC=N;NAYNQZMJRVHHCT-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263839;MM263839;C#CC(=N)NC(=N)NC=C;GZAWOZBJDCGBPZ-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263840;MM263840;C#CC(=O)NC(=N)NC=C;ZZOAEOFTUCQZSS-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263841;MM263841;C#CC(=O)NC(=N)NC=N;BHEBVCZFSMNGIX-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263842;MM263842;N#CC(=N)NCCNC=O;GADOGWDWFJDJKW-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263843;MM263843;C#CC(=C)NC(=O)NC=C;INDYVEXLODNEOX-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263844;MM263844;C=Nn1nc(N)n(C)c1=O;LBZAIQSZWSPQOC-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263845;MM263845;C#CC(=C)NC(=O)NC=O;SAUDNEACBDUXMR-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263846;MM263846;C#CC(=N)NC(=O)NC=C;PFVYBLNDEOZEIN-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263847;MM263847;CCNc1ccc(OC)[nH]1;OXIIWFQCGKBJDZ-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263848;MM263848;C#CC(=N)NC(=O)NC=O;LVBPNOZIBOCGGD-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263849;MM263849;C#CC(=C)NC(=O)NN=C;SEWNEISKTAOXLU-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263850;MM263850;C#CC(=O)NC(=C)OC=C;QYXQFVXQCPPJPH-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263851;MM263851;C#CC(=C)NC(=N)OC=O;JSPJILLQASGOFT-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263852;MM263852;C#CC(=C)OC(=C)CC#N;NIELRHIJSQECQK-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263853;MM263853;C#CC(=O)OC(=C)CC=C;KPNNMVSHADBZOA-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263854;MM263854;C#CC(=C)OC(=O)CC=C;SBIYGUVZVSCJNN-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263855;MM263855;C#CC(=C)OC(=O)CC#N;NPXSRBCDRMEFNG-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263856;MM263856;C#CC(=C)OC(=O)OC=C;VXOWXUDPTZUMRA-UHFFFAOYSA-N;138.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263857;MM263857;C#CCC(=C)CC(=C)C#C;VEUNEXLGXAIJIW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263858;MM263858;C#CCC(=C)CC(=O)C#C;MYFNBPBONQRCEZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263859;MM263859;C#CCC(=C)NC(=N)C#C;PXAYVLXANOXRBE-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263860;MM263860;C#CCC(=C)NC(=O)C#C;HUWUUCDDNNZMIM-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263861;MM263861;C#CCC(=O)NC(=C)C#C;XJBQBVTYHSMHMX-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263862;MM263862;C#CCC(=C)OC(=C)C#C;ZMKFTGHLZYLXSO-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263863;MM263863;C#CCC(=C)OC(=O)C#C;APBWGLNVDRSBOG-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263864;MM263864;C#CCC(=O)OC(=C)C#C;JBFFSWGZNMYNAO-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263865;MM263865;CC=CC(C)CC(C)CN;DSEBWUVVRPPXJJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263866;MM263866;CC=CC(C)CC(N)CC;XSHAQKWCQNZZCQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263867;MM263867;CCC(N)CC(C)C=CF;GTNDWFQBHBJKCO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263868;MM263868;CC=CC(C)CC(N)CN;XIMLLTPCKGIVCS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263869;MM263869;O=C(CF)C1CN1;GIRRNIXQNDDJCT-UHFFFAOYSA-N;103.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263870;MM263870;CC=CC(C)CC(O)CN;YIPZPXWSPKVRPA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263871;MM263871;CC(C=CF)CC(O)CF;GCSKTHSUFPLWTP-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263872;MM263872;CC=CC(N)CC(C)CC;SUYPBSDTGKEFQE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263873;MM263873;CCC(C)CC(N)C=CF;ZOZKIACWCBGFAS-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263874;MM263874;CC=CC(N)CC(C)CN;DSTQWXYJFYNOTR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263875;MM263875;CC=CC(N)CC(C)CO;SHVUFAYBLOCCBD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263876;MM263876;CC=CC(N)CC(C)CF;NCAYGXAHJNTWOB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263877;MM263877;CC(CF)CC(N)C=CF;RHEPTBFEOQSKJT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263878;MM263878;CC=CC(N)CC(N)CC;DHNXKWKAKZAGOD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263879;MM263879;NC(C=CF)CC(N)CF;NLJYVIIZKIYKHG-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263880;MM263880;CC=CC(N)CC(O)CC;KURXGCXGCZAHAL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263881;MM263881;CC=CC(N)CC(O)CF;VNRAADXNXWCGGH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263882;MM263882;CC=CC(N)CC(F)CC;LOQNZKVPGOMECA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263883;MM263883;CCC(F)CC(N)C=CF;IIFIBUZEAUYFLS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263884;MM263884;NCC(F)CC(N)C=CF;PTKIVYFVKLQZCT-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263885;MM263885;CC=CC(N)CC(F)CF;SONCYLWOEAVVIA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263886;MM263886;CC=CC(O)CC(C)CO;KVHITMISPHQZPW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263887;MM263887;CC=CC(O)CC(C)CF;UFBMHOZIAPCFTI-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263888;MM263888;CC=CC(O)CC(N)CC;CFGBOXCCIRIUFO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263889;MM263889;CC=CC(O)CC(N)CN;QXVQIEBZROCDTF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263890;MM263890;CC=CC(O)CC(N)CO;PXBOEJBJOGSREH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263891;MM263891;NC(CF)CC(O)C=CF;NWNYKRBUMLZSIA-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263892;MM263892;CC=CC(O)CC(O)CC;CFVJOJZVNRYDDJ-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263893;MM263893;CC=CC(O)CC(O)CO;PFBVZTVMZDIXRO-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263894;MM263894;NCC(F)CC(O)C=CF;ATRQSMWFVZLRBQ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263895;MM263895;OC(C=CF)CC(F)CF;ANHWEASCKDUERX-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263896;MM263896;CC=CC(F)CC(C)CN;ZRCXYOQDXLPNQK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263897;MM263897;CC(CN)CC(F)C=CF;DKHMMLKVSCMMIP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263898;MM263898;CC=CC(F)CC(C)CO;QDVCEVWAMFAMCQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263899;MM263899;CC=CC(F)CC(C)CF;BSWFYTYRXLJRQZ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263900;MM263900;CC(CF)CC(F)C=CF;BZMRJUYIBDZHDR-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263901;MM263901;CC=CC(F)CC(N)CC;LLJBYCPDAVSRDH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263902;MM263902;NCC(N)CC(F)C=CF;FGBIXTIBSOHWPB-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263903;MM263903;CC=CC(F)CC(N)CO;RXDYBKCBRIYLFS-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263904;MM263904;NC(CO)CC(F)C=CF;VDQANEUBQSVKBW-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263905;MM263905;CC=CC(F)CC(N)CF;GWOVDTFSUPLPKM-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263906;MM263906;NC(CF)CC(F)C=CF;ZMORWJOKMYKELK-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263907;MM263907;CC=CC(F)CC(O)CC;SJEQNENOUOHYLB-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263908;MM263908;CCC(O)CC(F)C=CF;LKTAHXMFYVLYEY-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263909;MM263909;NCC(O)CC(F)C=CF;URIZBZSCADVWKB-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263910;MM263910;CC=CC(F)CC(O)CO;SEBQJZSSHCPCSN-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263911;MM263911;CC=CC(F)CC(O)CF;PHTBFSZUCXDBBW-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263912;MM263912;OC(CF)CC(F)C=CF;XREJWVMZEQCCJU-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263913;MM263913;CCC(F)CC(F)C=CF;BQJSKUJXCHDSAJ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263914;MM263914;CC=CC(F)CC(F)CN;HELICUDCQABNCY-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263915;MM263915;NCC(F)CC(F)C=CF;CHQZRZKYXWXOSD-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263916;MM263916;CC=CC(F)CC(F)CO;OFJKTMYOTZXDRU-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263917;MM263917;OCC(F)CC(F)C=CF;PNBPHWOTKFXYNU-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263918;MM263918;CC(C=NN)CC(C)CF;VHNGAHZQWBKHNZ-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263919;MM263919;CCC(N)CC(C)C=NO;BECYHPFMIMANOI-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263920;MM263920;NC(=O)C=CC(F)F;OBUMROKBNQHUBJ-UHFFFAOYSA-N;121.09;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263921;MM263921;CCC(O)CC(C)C=NO;MYHNQNQUPIJWAW-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263922;MM263922;CCC(F)CC(C)C=NN;PZPLIMDZPLGYAJ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263923;MM263923;CC(C=NO)CC(F)CO;NAHLWRRQYVWAAU-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263924;MM263924;C#CCC(=O)C1CN1;APPIIEUSZZNJNY-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263925;MM263925;CC(=O)ON=CN(C)O;SAEVKIWIDSUPPN-UHFFFAOYSA-N;132.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263926;MM263926;CCC(C)CC(F)C=NN;CSMVFYMPQBIIAX-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263927;MM263927;CNC(=O)C=CC(C)O;VPOKJHWCZMRTOV-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263928;MM263928;C=NN(C=O)CC(C)O;XSUPUUQFPBWVOA-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263929;MM263929;C=CCON=CN(C)O;CGPXUSRYNYAZSU-UHFFFAOYSA-N;130.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263930;MM263930;CC=CC(C)CC(C)NC;QAWVELBJEONVDX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263931;MM263931;CNC(C)CC(C)C=CF;WYHPTPMLYIPHSE-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263932;MM263932;CC=CC(N)CC(C)NC;PZRWUOCPUHSGEF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263933;MM263933;CNC(C)CC(N)C=CF;CSKVHIQOCGTVEE-UHFFFAOYSA-N;146.21;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263934;MM263934;CC=CC(F)CC(C)NC;FWCZCDBVSCHKAV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263935;MM263935;CNC(C)CC(C)C=NN;JNCQJXIPYNVCQN-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263936;MM263936;CNC(C)CC(C)C=NO;GCAMFCSNKSSSQW-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263937;MM263937;CC=CC(C)CC(C)OC;ZALIWADTTPMHML-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263938;MM263938;COC(C)CC(N)C=CF;NFIDMCIECPMYKQ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263939;MM263939;COC(C)CC(O)C=CF;OVZNLOQLVQESNE-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263940;MM263940;CC=CC(C)NC(C)CC;PHVFQCXXHSSALW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263941;MM263941;CC=CC(C)NC(C)CN;FGDHFRSVCUVUOX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263942;MM263942;CC=CC(C)NC(C)CF;FBJIOIAZBBJPPR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263943;MM263943;CCC(C)NC(C)C=NO;FHZLZKPPUUREPL-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263944;MM263944;CC(C=CF)OC(C)CN;GRTRWKZRICTUMB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263945;MM263945;CC=CC(N)CN(C)CC;CAKQTGGYZGRISN-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263946;MM263946;CC=CC(O)CN(C)CC;ZQIQGNXYSZRAKJ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263947;MM263947;CC(CF)CN(C)C=NN;ANZRZUSKEATEOP-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263948;MM263948;C=NOCC(C)C(C)O;CRXIJHPSUGKWIC-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263949;MM263949;C=CC(=O)NCCC#N;FTJXXXSSRCHQKC-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263950;MM263950;CN=CN(N)CC(C)CF;GDWLFWHDTNDTPJ-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263951;MM263951;CCC(O)CN(N)C=NC;VMYIHPJGMYKQKL-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263952;MM263952;N=CN(CCO)C(N)=O;GIKZAEJSXCZKJG-UHFFFAOYSA-N;131.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263953;MM263953;CN=Nc1c[nH]c(N)c1;XTNJOINRIAEHPP-UHFFFAOYSA-N;124.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263954;MM263954;CN=CN(N)CC(F)CO;MJTQKQCGNOFVRC-UHFFFAOYSA-N;149.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263955;MM263955;CC(CN)CN(O)C=NO;AOJUNXRYDXTTND-UHFFFAOYSA-N;147.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263956;MM263956;C=NOCC(C=O)CO;BCUVFTUCUDNSGF-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263957;MM263957;CC(CF)CN(O)C=NO;PMKYMAPTODBUDQ-UHFFFAOYSA-N;150.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263958;MM263958;CN(O)C=NOC(C)(C)C;JBWUUMPGARJYFG-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263959;MM263959;OCC(O)CN(O)C=NO;MVMWXMILKLIMGK-UHFFFAOYSA-N;150.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263960;MM263960;CC(F)CON=CN(C)O;TWYJLSIZMDJPKM-UHFFFAOYSA-N;150.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263961;MM263961;CN=CN(C)CC(C)NC;STTCDBXJPUKXCE-UHFFFAOYSA-N;143.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263962;MM263962;CNC(C)CN(N)C=NN;GAPGZTPEHMEGFT-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263963;MM263963;CNC(C)CN(N)C=NO;AVHITKAZGXEHST-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263964;MM263964;CNC(C)CN(O)C=NN;YSBHEIWMOFYKRZ-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263965;MM263965;CN(O)C=NOCC(F)F;YDWVZKLQZDTMMR-UHFFFAOYSA-N;154.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263966;MM263966;COC(C)CN(O)C=NO;VWIMXKRFKZCIGA-UHFFFAOYSA-N;148.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263967;MM263967;CC=NN(C)CC(C)CF;MXWWBNGHYHPSBW-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263968;MM263968;CN=CN(C)NC(C)CF;BDKFEJJYWMYURI-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263969;MM263969;CC(F)CON=CC(N)=O;AWSKRBVABGYPCY-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263970;MM263970;CC(C#N)CC(C)C=CF;NBMNWRAVZBYYTM-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263971;MM263971;C=CC(N)CC(C)C=CC;CNSBRHZXTYJYMQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263972;MM263972;C=C(F)CON=CN(C)O;FDQHKMZSSJESAJ-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263973;MM263973;CC(=CC(C)O)OC=NN;YLQLJEQRTMYBMT-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263974;MM263974;CC=CC(C)CC(O)C=O;YVUJULFJRAEYKK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263975;MM263975;CC(C=CF)CC(F)C=O;FTRVYUIPIBBEBP-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263976;MM263976;C=CC(C)CC(N)C=CC;QFDYPYQQGREKKV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263977;MM263977;C=CC(O)CC(N)C=CC;IHGOFIYSQZAOSB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263978;MM263978;C=CC(O)CC(N)C=CF;HKASIFLNXMQRBZ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263979;MM263979;C=CC(F)CC(N)C=CC;YWVDCVYMKWBIMP-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263980;MM263980;CN(O)C=NC(=N)CC=O;JENGHXMLOVOQES-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263981;MM263981;CC=CC(O)CC(C)C=O;XDYKUNDGHGYIBF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263982;MM263982;C=CC(N)CC(O)C=CC;MZEATJJKKWAEGG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263983;MM263983;C=CC(N)CC(O)C=CF;JVTOISQRLVWJHW-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263984;MM263984;C=CC(O)CC(O)C=CC;DHEIOBWLFVNBNS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263985;MM263985;CC=CC(O)CC(O)C=O;VUJMSMRQTKSISZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263986;MM263986;O=CC(F)CC(O)C=CF;SUGCFMMOVUTHOH-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263987;MM263987;CC(C=O)CC(F)C=CF;PXZPLNOJBUHNDU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263988;MM263988;C=CC(N)CC(F)C=CC;NEACMYFJAKUBDE-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263989;MM263989;C=CC(O)CC(F)C=CC;TWSMAKAWFISQQH-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263990;MM263990;CC=CC(F)CC(F)C=O;ARWIOROWRVNZRV-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263991;MM263991;O=CC(F)CC(F)C=CF;YTBSHEDFMPCYBK-UHFFFAOYSA-N;152.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263992;MM263992;C=CC(C)CC(C)C=NN;PWXPYQIJERDQGQ-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263993;MM263993;C=CC(C)CC(C)C=NO;YVSMCGIRCNTGOR-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263994;MM263994;CC(C=O)CC(C)C=NO;FDENBUHSOJYDGM-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263995;MM263995;CC(C#N)CC(C)C=NO;VTMWBTYBJQZUEJ-UHFFFAOYSA-N;140.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263996;MM263996;C=CC(N)CC(C)C=NO;NIUHRVOHZVHKNM-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263997;MM263997;CC(C=NO)CC(O)C#N;JENFBPXFGRDAQV-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263998;MM263998;C=CC(F)CC(C)C=NO;SUKBJUDHLPZRIL-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM263999;MM263999;CC(C=NO)CC(F)C#N;LULKKDULQXCKHT-UHFFFAOYSA-N;144.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264000;MM264000;C=CC(C)CC(N)C=NO;OWXVXEIUYBLOAA-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264001;MM264001;NC(=O)CON=C(N)C=O;XPSQBYSSCXEKRF-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264002;MM264002;C=CC(C)NC(C)C=CC;YKKHRPCXEMNHQA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264003;MM264003;C=CC(C)NC(C)C=CF;UYKMZKTXTFDKLW-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264004;MM264004;CC=CC(C)NC(C)C#N;GPMTUBARUHNHGL-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264005;MM264005;CC(C#N)NC(C)C=NO;DGYPCMVXJYXPAZ-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264006;MM264006;CC=CC(C)OC(C)C=O;ORUBEYPRPPFFBJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264007;MM264007;CC=CC(C)OC(C)C#N;WMLNZCXRWFLASJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264008;MM264008;CC(C=CF)CN(C)C=N;GZPJUZGYNDBZNT-UHFFFAOYSA-N;144.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264009;MM264009;CC=CC(C)CN(C)C=O;HRDJDDKUIAYTAC-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264010;MM264010;CC=CC(C)CN(O)C=O;ZNVKTAFPOLSGCK-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264011;MM264011;CC=CC(N)CN(C)C=N;ORXGDKLBSTWIQQ-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264012;MM264012;CN(C=N)CC(N)C=CF;UMORSXOVIGDMLB-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264013;MM264013;CC=CC(O)CN(C)C=N;ZYHACEHNVJZXKB-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264014;MM264014;CN(C=N)CC(O)C=CF;YYHPZVHHFATDCD-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264015;MM264015;CN(C=N)CC(F)C=CF;PBTAALYMUMRQOP-UHFFFAOYSA-N;148.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264016;MM264016;CC=CC(F)CN(C)C=O;GUTOMUYRDMOAMZ-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264017;MM264017;CC=CC(F)CN(N)C=N;QPLSTMUVRZJXKX-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264018;MM264018;CC(C=NN)CN(C)C=N;AVRFUMINEXYRGH-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264019;MM264019;CC(C=NO)CN(C)C=N;KVDBRVPANUQWMM-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264020;MM264020;CN(C=N)CC(O)C=NN;ZYUDQJRWVJHHRK-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264021;MM264021;N=CN(N)CC(O)C=NN;VDRZOZANZNEXSI-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264022;MM264022;COC(C)ON=CN(C)O;WFSASLKXCDWPET-UHFFFAOYSA-N;148.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264023;MM264023;C=NN(C)CC(C)C=CF;CUEXHYRNBARQSF-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264024;MM264024;C=NN(C)CC(N)C=CC;UWIXZCRVGLHWFE-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264025;MM264025;CC(C#N)ON=CN(C)O;OXPWDQOXFXSZBT-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264026;MM264026;C=CC(=O)ON=CN(C)O;HWIIHPAPXRARDP-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264027;MM264027;CC=CC(C)NN(C)C=O;GQNOJIVQVLZAIO-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264028;MM264028;CC(C=NN)NN(C)C=N;FRPLEEYHVDHCBS-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264029;MM264029;CC(C=CF)ON(C)C=O;CUGAHAVDQRYGEZ-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264030;MM264030;C=CC(C)CN(C)C=NN;BNWZMYQKBXLRGD-UHFFFAOYSA-N;141.22;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264031;MM264031;CN(O)C=NOC(=O)C=O;ZGYIUZHVWLOSRM-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264032;MM264032;CN(O)C=NOC(=O)C#N;CFFCSKJDTARMRT-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264033;MM264033;CC(=NN)ON=CN(C)O;MJZVRPRWHOHHQN-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264034;MM264034;CN=CN(C)CC(F)C=O;AWQVPVBAEPYMOA-UHFFFAOYSA-N;146.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264035;MM264035;C=NN(C=NN)CC(C)O;WYHLADJTXHMSFY-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264036;MM264036;C=CC(=NNC)OC(N)=O;VYBWEBLJCYMESP-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264037;MM264037;C=NN(CC(C)O)C(C)=O;NBPIKIMPMUFPFU-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264038;MM264038;O=CC(O)CN(O)C=NO;ILQDZEVPRKCMFI-UHFFFAOYSA-N;148.12;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264039;MM264039;N#CC(F)CN(O)C=NO;OYCYPRYDGPNOBW-UHFFFAOYSA-N;147.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264040;MM264040;C=CC(C)CN(C)N=CC;VZLNRZLRQFGESM-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264041;MM264041;CC=NN(C)CC(C)C#N;OMAOBIULNJHIBY-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264042;MM264042;C=CC(F)CN(C)N=CC;QHOXDHTYEQXXOY-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264043;MM264043;C=CC(C)NN(C)C=NC;NGOHJVJTKHCGBM-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264044;MM264044;CC(C#N)NN(C)C=NO;YGWVLGCEDSCDPN-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264045;MM264045;C#CC(C)CC(C)C=CC;PELRVTXYYHFFCM-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264046;MM264046;C#CC(N)CC(C)C=CF;AFCTTZSVLVAPEQ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264047;MM264047;C#CC(O)CC(C)C=CC;PRGZZHNLUINQRT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264048;MM264048;C#CC(O)CC(C)C=CF;JADXILFPBKFJAE-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264049;MM264049;C#CC(F)CC(C)C=CC;XRUBDQSYUOHOHR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264050;MM264050;C#CC(F)CC(C)C=CF;GMMPKZRWKSTNBJ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264051;MM264051;C#CC(C)CC(N)C=CC;NRKWCPILTJJTKX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264052;MM264052;C#CC(C)CC(N)C=CF;ZWHFLCURUKNHFG-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264053;MM264053;C#CC(F)CC(N)C=CC;QFHSRQVDCFGMBK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264054;MM264054;C#CC(F)CC(N)C=CF;VWLFJRQYWCMUKL-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264055;MM264055;COCCON=CN(C)O;SMIZEEBLDOBXCE-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264056;MM264056;C#CC(N)CC(O)C=CF;YMYMQWCIXFWEES-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264057;MM264057;C#CC(O)CC(O)C=CC;OCLBJSJDRTVSJW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264058;MM264058;C#CC(C)CC(F)C=CC;FCCDAFDRYCGCAJ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264059;MM264059;C#CC(C)CC(F)C=CF;SVXHKWGYIFVRJU-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264060;MM264060;C#CC(N)CC(F)C=CC;OFSXFHBQPUVFRH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264061;MM264061;C#CC(O)CC(F)C=CF;OAGHUVAYCLBMQS-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264062;MM264062;C#CC(F)CC(F)C=CC;NJAWTYPBZQQHIY-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264063;MM264063;C#CC(F)CC(C)C=NN;ONGZNYLGIHGDFU-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264064;MM264064;C#CC(F)CC(C)C=NO;SHLKVMLGFBVAHK-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264065;MM264065;CN(O)C=NOCOC=O;BQSZJWOOLFIKQP-UHFFFAOYSA-N;148.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264066;MM264066;C#CC(C)OC(C)C=CC;CJXZKUMUJCHJBJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264067;MM264067;C#CCCON=CN(C)O;ICUGGXONOYOYAN-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264068;MM264068;CN(O)C=NOCC=CF;APMKQNQEQKUNAB-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264069;MM264069;CN(O)C=NOCC=NN;VVQTTXKUTZSMDV-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264070;MM264070;CC#CCON=CN(C)O;UEPDFXAMHAOMBW-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264071;MM264071;C#CC(C)CN(C)N=CC;QWMFIKIUALVYPA-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264072;MM264072;C#CC(F)CN(C)N=CC;HDIHNHWACKETCZ-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264073;MM264073;C=C(CC)CC(C)C=CC;UULWDRZGMMDCFO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264074;MM264074;C=C(CN)CC(C)C=CF;AUSUCTAKBILPRC-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264075;MM264075;C=C(CO)CC(C)C=CF;UQIVPUICBJBPGA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264076;MM264076;C=C(CF)CC(C)C=CF;ZDSMNGNXOZXNJD-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264077;MM264077;CC=CC(C)CC(=O)CO;QUKZMULOYZJXOB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264078;MM264078;CC=CC(C)CC(=O)CF;NFRYJYGLDYJWAK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264079;MM264079;CC(C=CF)CC(=O)CF;NBJVUJKVLPIOQG-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264080;MM264080;C=C(CC)CC(N)C=CC;XKSIBSMXNYTBLA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264081;MM264081;C=C(CC)CC(N)C=CF;RQBDLSJQHQJMME-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264082;MM264082;C=C(CF)CC(N)C=CC;BSEOHYYUPHWIPB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264083;MM264083;C=C(CO)CC(O)C=CC;WKMNWCJJEWFGMS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264084;MM264084;C=C(CF)CC(O)C=CC;ZCAVNVNIGNDVPW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264085;MM264085;CC=CC(O)CC(=O)CC;RTXBJBYNWCFMJS-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264086;MM264086;CC=CC(O)CC(=O)CO;OBKMZCHSULMNEK-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264087;MM264087;CC=CC(O)CC(=O)CF;PFNUGAWTKUZWJL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264088;MM264088;C=C(CN)CC(F)C=CC;OOHPVTNRYGFDLG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264089;MM264089;C=C(CN)CC(F)C=CF;NBEBHDWYTPAQLK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264090;MM264090;C=C(CF)CC(F)C=CF;PCMOVZMZTMEEHS-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264091;MM264091;CC=CC(F)CC(=O)CF;WNWDTWMIMXPIGQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264092;MM264092;C=C(CN)CC(C)C=NO;MYKWUTURKVBBLL-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264093;MM264093;CC(=O)C(=O)ON=CNO;GQVXDXKCPZZIIT-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264094;MM264094;CC(C=NO)CC(=O)CO;SUEXCPHWEWKSOQ-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264095;MM264095;C=C(CC)CC(N)C=NO;RRUDMVCPLZTVPI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264096;MM264096;C=C(CF)CC(F)C=NN;UBNTVGHYDJQZHN-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264097;MM264097;CC=CC(C)CC(=N)NC;YTLZGJBUOZXEQW-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264098;MM264098;CC=CC(C)CC(=N)NN;PNITVXGJIKVALV-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264099;MM264099;CC(C=CF)CC(=N)NN;NEAXLSXZSSTNEJ-UHFFFAOYSA-N;145.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264100;MM264100;CNC(=O)CNC(C)C#N;IDSLIPFUUDUYMI-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264101;MM264101;CNC(=O)CC(C)C=CF;OPSDNSCLCAFSAR-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264102;MM264102;CNC(=O)NCC(C)=NN;KVJKESCWEPBNSG-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264103;MM264103;CC=CC(C)CC(=O)NO;DNSLXFTXQTVIAU-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264104;MM264104;N=C(CC(N)C=CF)NO;SWTKIYPGMRLHMG-UHFFFAOYSA-N;147.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264105;MM264105;CC=CC(N)CC(=O)NC;GXHIXDQTPGWSDO-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264106;MM264106;CC=CC(O)CC(=N)NN;LANNCHYWZICTJQ-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264107;MM264107;CC=CC(O)CC(=N)NO;PECMFRSAFNBDLT-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264108;MM264108;C#CC1(C)NC1C(=O)CF;OHJPNIPUPSQFGF-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264109;MM264109;CC=CC(O)CC(=O)NO;UOWBKYVDMKLBNJ-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264110;MM264110;CC=CC(F)CC(=N)NC;RMUFUGWLAKJMQO-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264111;MM264111;CNC(=N)CC(F)C=CF;YWSVILLOELDZGY-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264112;MM264112;CC=CC(F)CC(=N)NO;UMFOSUUBWUWJCX-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264113;MM264113;CC=CC(F)CC(=O)NC;LOIJSVVGWWIJKB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264114;MM264114;CNC(=O)CC(F)C=CF;JASWOKSLMSZDDK-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264115;MM264115;C=NOCC(=O)CC=CC;CYCRCSOALZODNB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264116;MM264116;CC=CC(F)CC(=O)NO;AHDLKJRNOKHFJV-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264117;MM264117;CC(C=NO)CC(=N)NN;SSOCJGAPRSIIMM-UHFFFAOYSA-N;144.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264118;MM264118;CC(C=NN)CC(=N)NO;DACWVAJFDQKDOX-UHFFFAOYSA-N;144.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264119;MM264119;CNC(=O)N(N)CC=NN;NECVKTIDXFCOSR-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264120;MM264120;CNC(=O)CC(C)C=NO;JPJDRXDQRUUQGH-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264121;MM264121;CNC(=N)CC(O)C=NN;CPRCROBDNRCNKB-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264122;MM264122;NN=CC(O)CC(=O)NO;LSTZYRFLHPOGGS-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264123;MM264123;CC=CC(C)CC(=O)OC;KEMAFHCORYMLRQ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264124;MM264124;COC(=O)CC(C)C=CF;QGIJXHYDLDOBRW-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264125;MM264125;C=C(CC(N)C=CF)OC;GTETVOKMTABGSY-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264126;MM264126;CC=CC(F)CC(=O)OC;NIFQNIKJZVTJEV-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264127;MM264127;COC(=O)CC(C)C=NN;WYYBBHIVWLSVKJ-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264128;MM264128;CCC(=N)NC(C)C=CF;UHBNTOTYPYLSKO-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264129;MM264129;CC(C=CF)NC(=O)CO;XXRABXYUWDJIKF-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264130;MM264130;CC(C=CF)NC(=O)CF;PXXZOPOFTDEGEB-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264131;MM264131;CN=NC(NC)=C(C)NO;FVZFKJPAZUGLOO-UHFFFAOYSA-N;144.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264132;MM264132;CCC(=O)NC(C)C=NO;UGLQQCHMTQIKTA-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264133;MM264133;CC=CC(C)NC(=N)NC;WFNUUJSPBAGHSJ-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264134;MM264134;CNC(=N)NC(C)C=CF;IUABAYGYZAQPPR-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264135;MM264135;CC=CC(C)NC(=O)NC;BAVOHOZTIJIQQN-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264136;MM264136;CC=CC(C)NC(=O)NO;ULPTVRBHXUYXCC-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264137;MM264137;COC(=O)NC(C)C=NO;QNQNLFXFEJGHMA-UHFFFAOYSA-N;146.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264138;MM264138;C=C(CC)OC(C)C=CC;XHLQPSUEOXKPJO-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264139;MM264139;C=C(CO)OC(C)C=CC;YHBDTIHWVYDFRH-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264140;MM264140;C=C(CO)OC(C)C=CF;IFSJYVRBADVSMB-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264141;MM264141;C=C(CF)OC(C)C=CC;VNRQTCOTGUXTTM-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264142;MM264142;CCC(=O)OC(C)C=CF;CFEXEIKZMMOWAQ-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264143;MM264143;CC=CC(C)OC(=O)CF;KSWRHCITYASILM-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264144;MM264144;CCC(=O)OC(C)C=NN;MBWHDYDMESUVAF-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264145;MM264145;CN=NC(C#N)=C(C)NO;AJHMTDIGBJYOOM-UHFFFAOYSA-N;140.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264146;MM264146;CNC(=N)OC(C)C=CF;SNUVDZSNWFOYFL-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264147;MM264147;CON=CC(C=O)C(C)=O;MPIIHFJOKKVUHJ-UHFFFAOYSA-N;143.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264148;MM264148;COC(=O)OC(C)C=CF;XHFMBTJHGPNJNA-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264149;MM264149;CC=NOCC(C=O)CO;DXJQQWPUFKGVEO-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264150;MM264150;C=C(CO)CN(N)C=NC;UVNVJXDVIRMIDZ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264151;MM264151;C#Cc1n[nH]c(CF)c1C;PMCGDEJUHDBHGQ-UHFFFAOYSA-N;138.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264152;MM264152;C=C(CN)CN(O)C=NO;ICCGJTWNGASEKX-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264153;MM264153;CCC(=O)CN(O)C=NO;HQXBABNQKVZVKI-UHFFFAOYSA-N;146.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264154;MM264154;O=C(CO)CN(O)C=NO;UMNJSBFDUUBBQY-UHFFFAOYSA-N;148.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264155;MM264155;CN=CN(C)CC(=N)NC;LNRCDAHDYNUVJB-UHFFFAOYSA-N;142.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264156;MM264156;N=C(CN(N)C=NN)NN;MXIGTQZXSYAEIN-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264157;MM264157;N=C(CN(N)C=NO)NN;NFFNJMYUIYCAET-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264158;MM264158;CCN1C(C)C1C(=O)CF;KKWJOFHYGWFJHO-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264159;MM264159;NC(=O)N(N)CCO;WUTAIVZRWCBPOR-UHFFFAOYSA-N;119.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264160;MM264160;NN=CN(N)CC(=O)NO;XCQZLCJUPUMTJK-UHFFFAOYSA-N;147.14;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264161;MM264161;CN=CN(O)CC(=N)NN;XSNKEYANHPWPNB-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264162;MM264162;N=C(CN(O)C=NN)NN;KVYXQFXLUAWQLI-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264163;MM264163;N=C(CN(O)C=NO)NN;DWTFKAPVHPJXAZ-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264164;MM264164;Cc1nc(N)nn1N;NTIZEULIEMDNFS-UHFFFAOYSA-N;113.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264165;MM264165;CNC(=O)CN(O)C=NO;NVXSPCLAVFHUBG-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264166;MM264166;CCC(=NN)OC(N)=O;WQCPBCKSMUTOKB-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264167;MM264167;NNC(=O)CN(O)C=NO;BLWUFFFQRCKEKM-UHFFFAOYSA-N;148.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264168;MM264168;NN=CN(O)CC(=O)NO;ZYIGYDVENOWTFL-UHFFFAOYSA-N;148.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264169;MM264169;O=C(CN(O)C=NO)NO;BWAKRXNBLQQMJV-UHFFFAOYSA-N;149.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264170;MM264170;NC(=O)CNN=CNO;OYXBVAWJMWTZSG-UHFFFAOYSA-N;132.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264171;MM264171;C=CCNC(=O)C=NN;BQYHBRUKSZHPMI-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264172;MM264172;NN=CC(=NN)C(N)=O;ARHPYRNECRZWNG-UHFFFAOYSA-N;129.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264173;MM264173;C=NN1CC(CO)C1=O;UHIJAPSQROTIDN-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264174;MM264174;COC(=O)CN(O)C=NO;BYMUWNSCDFJSQV-UHFFFAOYSA-N;148.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264175;MM264175;C=C(CC)CN(C)N=CC;HBBZTSRZPKCCJG-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264176;MM264176;CNc1ccc(OC)[nH]1;SSHVMHKRNFNKRP-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264177;MM264177;CC=NN(C)CC(=N)NC;LNQAUIADPUABFP-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264178;MM264178;CC=NN(C)CC(=N)NN;YBXIWSKGMVVWTG-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264179;MM264179;C=C(CN(C)N=CC)OC;AJVVUPJRDBPEBM-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264180;MM264180;CCC(=N)NN(C)C=NO;QGGDCVQETQJLHX-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264181;MM264181;CN=CN(C)NC(=N)CN;BPSWYZQFCWMZAP-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264182;MM264182;CN=CN(C)NC(=N)CO;AVLBYNZXZFNDHZ-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264183;MM264183;CN(C=NN)NC(=N)CO;UEJNHTVLYWHXEN-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264184;MM264184;CN(C=NO)NC(=N)CO;VZGNSCBUVTYQEG-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264185;MM264185;CCC(=O)NN(C)C=NC;FYEOMCMJXBGPHH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264186;MM264186;C=C(F)C=NN=CN(C)O;NWPRGJWAGJHCLL-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264187;MM264187;CN(C=NO)NC(=O)CF;UVBILJNVKWQRIN-UHFFFAOYSA-N;149.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264188;MM264188;CN(C=NN)NC(=N)NN;XLMSEPIBWUTOAE-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264189;MM264189;CN(C=NO)NC(=N)NN;UBZJHDGPFRFJTO-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264190;MM264190;CN(C=NN)NC(=N)NO;SMPMEFHZCNLYLH-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264191;MM264191;CN(C=NO)NC(=N)NO;CORJAANEDRXRAZ-UHFFFAOYSA-N;147.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264192;MM264192;CC=CC(=O)NCC(C)O;UWJCTKULNBLRJO-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264193;MM264193;CNC(=O)NN(C)C=NO;CGCFBOAYMKRDRI-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264194;MM264194;C=CC(C)=NN=CN(C)O;BELWWKJXUVLPOO-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264195;MM264195;CN=CN(C)NC(=N)OC;YDEHGJRSCZBGHV-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264196;MM264196;C#CC(C)=NN=CN(C)O;ZDAIMTRNXDETMP-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264197;MM264197;COC(=O)NN(C)C=NO;VSFMHFHOZVUEDR-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264198;MM264198;CCC(=O)ON(C)C=NC;SLOSUADNPIDLRI-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264199;MM264199;CC(O)CN(N)C(=O)CF;BSLRXJCPNRKTNJ-UHFFFAOYSA-N;150.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264200;MM264200;NN=C(N)C(F)=CC(N)=O;PQNWPZAQASLGPD-UHFFFAOYSA-N;146.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264201;MM264201;CN(C=NO)OC(=O)CO;SHFPGMWYDUMAOO-UHFFFAOYSA-N;148.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264202;MM264202;CC(=N)N=C(NN)C(N)=O;WTXPDDPXFGXZOW-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264203;MM264203;CN(O)C=NNCCC=O;HNBXBJHKTYYMII-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264204;MM264204;C=CC(=C)CC(C)C=CC;OKNPOAUQZPGIRC-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264205;MM264205;C=CC(=C)CC(C)C=CF;COBBAPBVWOYWTR-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264206;MM264206;C=C(C#N)CC(C)C=CC;GPTYIALOFXQFGF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264207;MM264207;C=C(C=O)CC(C)C=CF;TVUFKJUFMCCTGA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264208;MM264208;CC=CC(C)CC(=O)C#N;YKSPLISLEHZSFG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264209;MM264209;CC(C=CF)CC(=O)C#N;FBQGWXKGARSHGS-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264210;MM264210;C=CC(=C)CC(N)C=CC;PMPNZNQVGHTTQZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264211;MM264211;C=CC(=C)CC(N)C=CF;HBGOBBXWZXYYJJ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264212;MM264212;CC#CCON=CC(N)=O;FQYPQKPKSJOPFW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264213;MM264213;C=CC(=O)CC(O)C=CC;FSEJCDGXZGHSNR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264214;MM264214;C=C(C=O)CC(F)C=CF;ZTAIANRWKHVQSL-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264215;MM264215;C=CC(=O)CC(F)C=CF;YLJAUEPHCWCJKJ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264216;MM264216;CC=CC(F)CC(=O)C=O;WGOBKRIUEGIJQP-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264217;MM264217;O=CC(=O)CC(F)C=CF;BTZIGGHIWIDWPP-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264218;MM264218;N#CC(=O)CC(F)C=CF;GEURVWFNKUVYGY-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264219;MM264219;C=CC(=C)CC(N)C=NO;ULUIVGUVPAUQSE-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264220;MM264220;C=CC(=N)NC(C)C=CF;YENRTWXXIOQMIG-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264221;MM264221;CC=CC(C)N=C(N)C=O;HNSYDRBCGBQOCG-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264222;MM264222;C=CNC=NN=CN(C)O;MGCULCQYMOAGLP-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264223;MM264223;CC=CC(C)NC(=O)C#N;LWKLWHWAYYSHCT-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264224;MM264224;C=CC(=O)NC(C)C=NO;CWWQVBOQJWOZEH-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264225;MM264225;C=C(C#N)OC(C)C=CC;PHNCBVJOUNSVRH-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264226;MM264226;C=CC(=O)OC(C)C=CC;YUTIJSKNEMFZBW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264227;MM264227;C=CC(=O)OC(C)C=CF;JEWRPXNTWBIFPA-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264228;MM264228;CC=CC(C)OC(=O)C=O;MDJGRCZZMAOUFR-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264229;MM264229;CC=CC(C)OC(=O)C#N;PKGDPSAIOOBWLQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264230;MM264230;C=C(C#N)CN(C)C=NC;SFLFRLNOQBXGCU-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264231;MM264231;C#CCC=NN=CN(C)O;GTNYWRZUMIDXOY-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264232;MM264232;CC=CC=NN=CN(C)O;RWWNNTCSIVCIAE-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264233;MM264233;CN(O)C=NN=CC=CN;LNDCFDFEVUKIKR-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264234;MM264234;C=CC(=C)CN(O)C=NO;KDPOHSIKEQSGBE-UHFFFAOYSA-N;142.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264235;MM264235;C=C(C=O)CN(O)C=NO;NHJKOMUNGAMFBD-UHFFFAOYSA-N;144.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264236;MM264236;N#CC(=O)CN(O)C=NO;FVZZYSQCCDBGQZ-UHFFFAOYSA-N;143.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264237;MM264237;C=CC(=C)CN(C)N=CC;HOHKVIVKAUAMBH-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264238;MM264238;C=C(C#N)CN(C)N=CC;LVYCSIDLLXFFSU-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264239;MM264239;CN(O)C=NN=CC=CF;WDABPEJNGSJNRT-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264240;MM264240;C=CC(=N)NN(C)C=NN;QYAXIYDRGGVAKR-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264241;MM264241;C=CC(=N)NN(C)C=NO;UFKRGTAXMQFYTF-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264242;MM264242;CC#CC=NN=CN(C)O;RMQFLSOJWZEDAP-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264243;MM264243;CN(C=NO)N=C(N)C=O;HPAUBTIYJXXYRI-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264244;MM264244;CN(C=NO)NC(=N)C#N;HNJJCYKNZDXLAE-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264245;MM264245;CN(C=NO)NC(=O)C#N;LUQGBQBXCQVRJS-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264246;MM264246;CN(C=NO)OC(=O)C=O;BDCBEXIXQAOILD-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264247;MM264247;C#CC(=C)CC(C)C=CC;VAUWXEDJNXZECP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264248;MM264248;C#CC(=O)CC(C)C=CF;YVSLGWGYARUSJD-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264249;MM264249;C#CC(=C)CC(N)C=CF;GCBZFKVLUVSHDF-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264250;MM264250;C#CC(=O)CC(O)C=CC;AZPHDWCOGDGPMP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264251;MM264251;C#CC(=O)CC(F)C=CC;GTUAPUKTNYJCRQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264252;MM264252;C#CC(=O)CC(F)C=CF;LJPUAGQULBCWKZ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264253;MM264253;CCNC(=O)C=NOCC;GFUHHDCBFBGGMZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264254;MM264254;CC=C(CC(=O)O)NC=O;PNTSLIAYGXJSAW-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264255;MM264255;C#CC(=N)NC(C)C=CC;ZKKFKDPJZXMUTR-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264256;MM264256;CN=CN(N)C(=N)C(N)=O;MRBBKVHZIZJMCV-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264257;MM264257;C#CC(=O)NC(C)C=NO;HJLCINJHLRLDQS-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264258;MM264258;C#CC(=C)OC(C)C=CC;ZIVQBSXJXUQYFZ-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264259;MM264259;C#CC(=O)OC(C)C=CC;RGHBFGLVMWLCGY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264260;MM264260;C#CC(=C)CN(O)C=NO;STXZICQXGLVUHF-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264261;MM264261;CCCC(O)CC1CN1C;SVDUFWSNFDFTNL-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264262;MM264262;C#CC(=O)CN(O)C=NO;SQSLOFDUKIWPRD-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264263;MM264263;C#CC(=C)CN(C)N=CC;NZSXBQREUYEHQI-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264264;MM264264;CNC(=O)N(N)CCCO;ADRUZZQZXWBHOB-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264265;MM264265;C=C(C=CC)CC(C)CC;ABILPFRERCUHQA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264266;MM264266;C=C(C=CC)CC(C)CN;UZRFZEFNRZEGSZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264267;MM264267;C=C(C=CF)CC(C)CN;UATWKHBKKGGAAP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264268;MM264268;CNN=CCNC(=O)NC;RQWVWDUOEWZVJR-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264269;MM264269;C=C(C=CC)CC(C)CF;IVZQMJNANPZWRV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264270;MM264270;C=C(C=CF)CC(C)CF;YPOWXZRCDSIURT-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264271;MM264271;C=C(C=CC)CC(N)CC;URRBVKRSWXMQPO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264272;MM264272;C=C(C=CF)CC(N)CC;KAUFRWQHBQUBHF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264273;MM264273;CN=NC(C=O)=C(C)NO;TZESPBXBEOHTAY-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264274;MM264274;C=NOCC(CO)C(F)F;ZNIGALNCYGELHY-UHFFFAOYSA-N;153.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264275;MM264275;C=C(C=CC)CC(O)CO;CIWHOSOLKUHZJD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264276;MM264276;C=C(C=CF)CC(O)CO;DPGRVTOSDAVKNW-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264277;MM264277;C=C(C=CC)CC(O)CF;KHARHVRKWGRYHV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264278;MM264278;C=C(C=CC)CC(F)CC;ISYMXMCJBGCXHQ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264279;MM264279;C=C(C=CF)CC(F)CC;ZQBLYAZZRDDISH-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264280;MM264280;C=C(C=CC)CC(F)CN;CZUMIQGCVWHURX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264281;MM264281;CC=CC(=O)CC(C)CC;MYQJFLVLZUMLHA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264282;MM264282;CCC(C)CC(=O)C=CN;VBZUSZLONLQBTE-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264283;MM264283;CC=CC(=O)CC(C)CO;WQQTZUKTKLMFHM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264284;MM264284;CC=CC(=O)CC(C)CF;WHLOETXOLIEWOI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264285;MM264285;CC=CC(=O)CC(O)CC;CSFPKGUNXSLNJD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264286;MM264286;CCC(O)CC(=O)C=CN;NOQVAYLCSWLHDN-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264287;MM264287;CCC(O)CC(=O)C=CF;RBSVWEVNKINESQ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264288;MM264288;CC=CC(=O)CC(O)CO;XCFIJJYGPJDPOX-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264289;MM264289;NC=CC(=O)CC(O)CO;PYIKODOLVMTWJG-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264290;MM264290;CC=CC(=O)CC(O)CF;WFGFRIBOHKRKKA-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264291;MM264291;O=C(C=CF)CC(O)CF;LOTKVUJLIBRIDQ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264292;MM264292;CC=CC(=O)CC(F)CC;HUNPYJDBASTWTJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264293;MM264293;CCC(F)CC(=O)C=CN;HNAXTBZNZIZDIX-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264294;MM264294;CCC(F)CC(=O)C=CF;BPPWDWFLVXWHQS-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264295;MM264295;CC=CC(=O)CC(F)CO;XEGAITZRPOSUFU-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264296;MM264296;O=C(C=CF)CC(F)CO;SVPPALOGUPXKAM-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264297;MM264297;O=C(C=CF)CC(F)CF;GTJZGLIWQLEWCH-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264298;MM264298;C=C(C=NO)CC(C)CN;BSLPMYHEPZQKOU-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264299;MM264299;CN=C(NCCF)C(N)=O;GNDMUKRLMQFRFC-UHFFFAOYSA-N;147.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264300;MM264300;CN=CN=C(NN)C(N)=O;MIXJZXAAMFFRDJ-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264301;MM264301;C=C(C=NO)CC(C)CF;BFTXDUMIIGOOSS-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264302;MM264302;C=C(C=NO)CC(N)CC;YBPGKJTUPZGKBY-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264303;MM264303;C=C(C=NO)CC(N)CN;UPPDOZKTEUVWQI-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264304;MM264304;CCNc1cc(NN)no1;GHGGGTTVFBMOIU-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264305;MM264305;C=C(C=NO)CC(O)CC;LJNUMVMLRCOYQL-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264306;MM264306;CNN=CN(C)O;NCKQEBWUAPEHSL-UHFFFAOYSA-N;103.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264307;MM264307;C=C(C=NO)CC(O)CO;NYUZKXVDTYYEMF-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264308;MM264308;C=C(C=NN)CC(F)CC;DYAQNWNFPWGCFV-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264309;MM264309;C=C(C=NO)CC(F)CC;HPZQDRSPKRRFPN-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264310;MM264310;CCC(C)CC(=O)C=NO;NMDNGIVMVXFCFO-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264311;MM264311;C=C(C=CC)CC(C)NC;HPLSQNHJJUFMKC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264312;MM264312;CC=CC(=O)CC(C)NC;CTFDFHMHSPYVRE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264313;MM264313;CNC(C)CC(=O)C=CN;FBTGBWUIEQJHHO-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264314;MM264314;CC=CC(=O)CC(C)OC;WVGXWSRKZDHIAD-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264315;MM264315;COC(C)CC(=O)C=CF;DNMXVLLBWMSODN-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264316;MM264316;CC=CC(=N)NC(C)CC;LMCHAIVNMCTFFM-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264317;MM264317;CC=CC(=N)NC(C)CN;QVKJXTYNCOPDSU-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264318;MM264318;CC(CN)NC(=N)C=CF;ODYGHLOZUIWEMS-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264319;MM264319;CC(CO)NC(=N)C=CN;KYTVSBPGKZNEBO-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264320;MM264320;CC(CN)NC(=O)C=CN;JQBNTFZPXXTAJI-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264321;MM264321;CC(CN)NC(=O)C=CF;BQLCFZZSICHBLO-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264322;MM264322;CC=CC(=O)NC(C)CO;AHVLNEKWRRIBHT-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264323;MM264323;CC(CO)NC(=O)C=CN;MDXJLDAKZXKXSN-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264324;MM264324;CC(CO)NC(=O)C=CF;SQHWZSCJGFHBBG-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264325;MM264325;CN(O)C=NN(C)C;SRGTVFMMBWAAOI-UHFFFAOYSA-N;117.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264326;MM264326;C=C(C=CF)OC(C)CN;PQBQDRFGMUECHZ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264327;MM264327;C=C(C=CC)OC(C)CO;KXOZNTHFMKJGQT-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264328;MM264328;CC=CC(=O)OC(C)CC;KAKJZWSUVDRWQU-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264329;MM264329;CC=CC(=O)OC(C)CN;RNRLXWAKCJYYSW-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264330;MM264330;CC=CC(=O)OC(C)CO;IFVPSRANUAUOSR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264331;MM264331;CC(CO)OC(=O)C=CF;CRBBOLQEQJJSPK-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264332;MM264332;CC(CF)OC(=O)C=CN;IYSJAQOCCTWMFV-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264333;MM264333;C=C(C=NO)OC(C)CN;MOKZJXWFDZFQTN-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264334;MM264334;C=C(C=CC)OC(C)OC;HRZCTMJLEMMQLU-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264335;MM264335;CCN(C)NC(=N)C=CN;CPRLOCPOMMOKJF-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264336;MM264336;C=CC(C)CC(=C)C=CC;KJTVHRQZFYVTPF-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264337;MM264337;C=C(C=CC)CC(C)C=O;ZUMVDKZSPZMMOQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264338;MM264338;C=C(C=CC)CC(C)C#N;IFHLHVCEYWDJAA-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264339;MM264339;C=C(C=CF)CC(C)C=O;GNHSFQBYEDJMQB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264340;MM264340;C=CC(N)CC(=C)C=CC;NKUGNDKRYBXNCX-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264341;MM264341;C=CC(N)CC(=C)C=CF;DGCZWUVCAUTPFT-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264342;MM264342;CC(O)CN(N)C=O;FXDQCINBALGTIG-UHFFFAOYSA-N;118.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264343;MM264343;CN(O)C=NN1CC1;DMVNRIOWMWZATB-UHFFFAOYSA-N;115.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264344;MM264344;C=C(C=CF)CC(O)C#N;CNVCIYULYXCPDX-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264345;MM264345;C=CC(F)CC(=C)C=CC;PWFDRMXUIMGJIC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264346;MM264346;C=C(C=CC)CC(F)C#N;LBNUTUCZBTVZEB-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264347;MM264347;C=C(C=CF)CC(F)C=O;NHCXQVMSZMDPKD-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264348;MM264348;C=CC(C)CC(=O)C=CC;BRQIPCHWUBXINX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264349;MM264349;C=CC(C)CC(=O)C=CN;RXRYMVBGQGQSJJ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264350;MM264350;CC=CC(=O)CC(C)C=O;LSBCGRSVWDDTBL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264351;MM264351;CC=CC(=O)CC(C)C#N;QGTZXXWCXLDRGH-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264352;MM264352;C=CC(O)CC(=O)C=CN;ALZBKCPEDXILKA-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264353;MM264353;CC=CC(=O)CC(O)C#N;JLTCRACLYDISEG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264354;MM264354;NC=CC(=O)CC(O)C=O;BFKYFKOMMZDUCP-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264355;MM264355;C=CC(F)CC(=O)C=CF;ABBRCWCVJOXAEE-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264356;MM264356;CC=CC(=O)CC(F)C#N;LGFICWWLLHMCFQ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264357;MM264357;N#CC(F)CC(=O)C=CF;IXXSMBKYVKOJTA-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264358;MM264358;C=CC(C)CC(=C)C=NN;MUWNJRQERMPNSM-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264359;MM264359;C=C(C=NO)CC(C)C=O;LTTUGOYOPXOILI-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264360;MM264360;C=CC(C)CC(=O)C=NO;CTMIDZBGDMISNO-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264361;MM264361;C=CC(C)NC(=N)C=CF;XXOUAAALNGRYLS-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264362;MM264362;CC(C=O)NC(=O)C=CN;CRKWRARZSHJFPP-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264363;MM264363;CC(C#N)NC(=O)C=CN;UNBFMEXSFAUATM-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264364;MM264364;NN1CC(CO)C1=O;MOKLVVZOTUPGRU-UHFFFAOYSA-N;116.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264365;MM264365;CC(C#N)NC(=O)C=NO;VVBRMKWSYUMIRE-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264366;MM264366;C=CC(C)OC(=C)C=CC;XIEJKHPCXNXJCY-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264367;MM264367;C=CC(C)OC(=O)C=CC;BZWFKYRLILWCAT-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264368;MM264368;CC=CC(=O)OC(C)C=O;BHXHJSNBRBXRAE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264369;MM264369;C=C(C=NO)OC(C)C=O;RRZGNQPVVHFAPZ-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264370;MM264370;C=C(C=NO)OC(C)C#N;QRMLZTNDSQKKDP-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264371;MM264371;C=C(C=CC)CN(C)C=N;NHFDIVZQPHPEJV-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264372;MM264372;C=C(C=CF)CN(C)C=N;NIAQLLKASPXCCW-UHFFFAOYSA-N;142.18;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264373;MM264373;C=C(C=CC)CN(C)C=O;WXZQQMZNZFBIDS-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264374;MM264374;C=C(C=CF)CN(N)C=N;KGYWRDUKENZASF-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264375;MM264375;C=C(C=CC)CN(N)C=O;SJECQAYADLEEET-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264376;MM264376;C=C(C=CF)CN(N)C=O;KUFYWTFUSZWHGY-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264377;MM264377;CN(C=N)CC(=O)C=CN;NUWXVSAVDQOTGX-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264378;MM264378;CN(C=N)CC(=O)C=CF;LZESFKFBYWMJCP-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264379;MM264379;CC(=CC(C)O)C(N)=O;OFRIKOBYUIJGIR-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264380;MM264380;C=C(C=NO)CN(C)C=O;RXEAVERDZKKEKP-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264381;MM264381;C=NN(C)CC(=C)C=CC;BXXNJGFEBZOMLL-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264382;MM264382;CN(O)C=NN(C)C=N;AAUPBRYOLIJLLW-UHFFFAOYSA-N;130.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264383;MM264383;CNN(C=O)CC(C)O;MLTVZDINQJEADH-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264384;MM264384;CN(C=N)NC(=N)C=CF;BQLPLYFDPSEPQK-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264385;MM264385;CN(C=O)NC(=N)C=CN;MUYWFZCDGBGTAH-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264386;MM264386;CN(C=N)NC(=O)C=CN;AQLCBEYIXLJKNF-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264387;MM264387;CN(C=O)NC(=O)C=CN;RQCLBVDEKNMDSP-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264388;MM264388;CC(N=CNO)C(N)=O;MJYJGESPDPJXOR-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264389;MM264389;CN(C=N)NC(=O)C=NN;MIFGYJGIBJICNT-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264390;MM264390;CN(C=N)NC(=O)C=NO;SQNDSPKDHPFEBA-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264391;MM264391;CC=CC(=O)ON(C)C=O;DXXMAOJSCFPWBE-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264392;MM264392;CN(C=O)OC(=O)C=CN;DNSUCOSIXDVHLU-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264393;MM264393;CN(C=O)OC(=O)C=CF;WJZYFTYUJXJGIK-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264394;MM264394;Cn1nc(N)c(F)c1F;IQKPMAVXXKZUQZ-UHFFFAOYSA-N;133.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264395;MM264395;C#CC(C)CC(=C)C=CC;LCTRJLYLUHSDIJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264396;MM264396;C#CC(C)CC(=C)C=CF;UDTPKLYUKICDGO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264397;MM264397;C#CC(N)CC(=C)C=CC;UASRERGLAURVIG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264398;MM264398;C#CC(N)CC(=C)C=CF;QLCWZNCQDDHRFY-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264399;MM264399;C#CC(O)CC(=C)C=CC;JDTCNIMTPKTDFH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264400;MM264400;C#CC(F)CC(=C)C=CC;KBMBSCOVVCMHED-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264401;MM264401;C#CC(F)CC(=C)C=CF;IXPHNWIYZGYHKX-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264402;MM264402;C#CC(C)CC(=O)C=CC;ZCZVRHBKABDEPX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264403;MM264403;C#CC(C)CC(=O)C=CN;CIDUIVYWRSOLKT-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264404;MM264404;C#CC(C)CC(=O)C=CF;USUMVCCIZREFLV-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264405;MM264405;C#CC(O)CC(=O)C=CC;GHNCUHBFGIFCJZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264406;MM264406;C#CC(F)CC(=O)C=CC;NZOVYZFOPDTDAG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264407;MM264407;C#CC(F)CC(=O)C=CF;ZUWYFFQMKRBOAR-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264408;MM264408;C#CC(C)CC(=C)C=NO;RZCWWZGRDNAPKE-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264409;MM264409;C#CC(F)CC(=C)C=NN;YZISYIUTAZCLIM-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264410;MM264410;C#CC(F)CC(=C)C=NO;MMALJTSAZASCDD-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264411;MM264411;C#CC(C)NC(=O)C=NN;BWQXKAFZSAJBPI-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264412;MM264412;C#CC(C)NC(=O)C=NO;PLOZAEFZZJYORB-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264413;MM264413;C#CC(C)OC(=C)C=CC;BSBUCOIOFZCIAU-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264414;MM264414;C#CC(C)OC(=O)C=CC;YBIDLVPNYJNTGW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264415;MM264415;C#CC(C)OC(=C)C=NN;GROOKBYPGFZCNO-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264416;MM264416;C#CC(C)OC(=C)C=NO;KOMCFKHTLYUESI-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264417;MM264417;C=C(C=CC)CC(=C)CC;WEPBTFPNORCTGZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264418;MM264418;C=C(C=CC)CC(=C)CN;KSHQAANNUTZEAY-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264419;MM264419;C=C(C=CF)CC(=C)CN;FDMXUDGCCVSATN-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264420;MM264420;C=C(C=CC)CC(=C)CO;SXYVOWJHJVIIBE-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264421;MM264421;C=C(C=CF)CC(=C)CO;YVQRCYSEUYRBKE-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264422;MM264422;C=C(C=CC)CC(=C)CF;KGJNHLRQMBIXMG-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264423;MM264423;C=C(C=CC)CC(=O)CC;RXGPLLLZFFOADV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264424;MM264424;C=C(CC)CC(=O)C=CC;WUAIRIJSOJZBCV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264425;MM264425;C=C(CC)CC(=O)C=CN;STNMYFBXTRVLMX-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264426;MM264426;C=C(CC)CC(=O)C=CF;ROZSDZHUOCYZOA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264427;MM264427;C=C(CO)CC(=O)C=CC;MSJRDRNBGXOZJB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264428;MM264428;C=C(CF)CC(=O)C=CC;NXYYNNKLSHYMFD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264429;MM264429;C=C(CF)CC(=O)C=CF;YGTHBJIVHCKTFF-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264430;MM264430;CC=CC(=O)CC(=O)CC;WMOTWRVUQUOPEU-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264431;MM264431;CC=CC(=O)CC(=O)CF;ZIJKKWZMUJIGNW-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264432;MM264432;C=C(C=NO)CC(=C)CO;XOFUUQMAIUNMBR-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264433;MM264433;C=C(C=NO)CC(=O)CO;IGPZDOJGFCUZLR-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264434;MM264434;C=C(C=CC)CC(=N)NC;WMHPJSCDVRULAW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264435;MM264435;C=C(C=CF)CC(=N)NN;AFJXHOIDGQPNGA-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264436;MM264436;C=C(C=CC)CC(=O)NC;LFBCVGPKYCXMOP-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264437;MM264437;C=C(C=CC)CC(=O)NO;DVZXIXQCFBWDGN-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264438;MM264438;CC=CC(=O)CC(N)=NC;GRUCVKGIQLNTNC-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264439;MM264439;CC=CC(=O)CC(=N)NO;NJPJQHQEXLSQDN-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264440;MM264440;NC(CC(=O)C=CF)=NO;KTYJVALKQKLSIP-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264441;MM264441;CNC(=O)CC(=O)C=CF;XFWCUAHZOPFVBN-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264442;MM264442;C=C(C=CC)CC(=C)OC;SLJACNMBLZXMDC-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264443;MM264443;C=C(CC(=O)C=CF)OC;XEMUIPJHIORONB-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264444;MM264444;CC=CC(=O)CC(=O)OC;BBCWLSHRIURHSE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264445;MM264445;C=C(C=CF)NC(=N)CN;JSTALWXWHLQHLI-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264446;MM264446;C=C(C=CC)NC(=N)CO;CYZXPSLQZKVFCY-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264447;MM264447;C=C(C=CC)NC(=O)CC;FNXRYOBWQXBCIU-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264448;MM264448;C=C(CF)NC(=N)C=CC;PQHZYLLJWAWIHJ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264449;MM264449;CCC(=N)NC(=N)C=CN;LGPRGQMMTBERSB-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264450;MM264450;N=C(C=CN)NC(=N)CN;BUVKVFCKWIPPGN-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264451;MM264451;N=C(C=CN)NC(=N)CO;YBAUXOLHXDCCGP-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264452;MM264452;CCC(O)CC1CN1C;OUKOIZOYANEEKT-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264453;MM264453;CCC(=O)NC(=N)C=CF;GXCRCIDKCYIPSJ-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264454;MM264454;C=C(CC)NC(=O)C=CN;ARSHWSWXPGQJOJ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264455;MM264455;C=C(CN)NC(=O)C=CC;JSWBECUEAPLHTN-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264456;MM264456;C=C(CO)NC(=O)C=CN;QQYJKGKJRQWTBT-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264457;MM264457;C=C(CO)NC(=O)C=CF;SNVDUAMSJPXRPK-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264458;MM264458;C=C(CF)NC(=O)C=CC;GPARXVJNFDHNCY-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264459;MM264459;C#Cc1nc(N)c(C)[nH]1;RZTOWTKJCWBQIZ-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264460;MM264460;CC1CN1N=CN(C)O;RSYHASLTYITBSA-UHFFFAOYSA-N;129.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264461;MM264461;N=C(CO)NC(=O)C=CN;DQEQZLHTGHYTLP-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264462;MM264462;CCC(=O)NC(=O)C=CN;BJFAHSRAUCOWHH-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264463;MM264463;CC=CC(=O)NC(=O)CO;SKIYEWMUWMCYEY-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264464;MM264464;NC=CC(=O)NC(=O)CO;UWXYWKWXUQDFRA-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264465;MM264465;O=C(C=CF)NC(=O)CO;MJOPTKNRZPTQIE-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264466;MM264466;C=C(C=NN)NC(=N)CC;RRDNFUSEESVABF-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264467;MM264467;C=C(C=NN)NC(=N)CF;LDBHWIVSJNJCLP-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264468;MM264468;CCC(=N)NC(=N)C=NN;QGZBNQXIWCHSIB-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264469;MM264469;CCC(=N)NC(=N)C=NO;UXQWZMAXQDFHCT-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264470;MM264470;N=C(C=NN)NC(=O)CO;UHNDBGMJBXAPCE-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264471;MM264471;N=C(C=NO)NC(=O)CO;KLQFYJUTOVSXAD-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264472;MM264472;N=C(C=NN)NC(=O)CF;HFTZDYQBKMURQE-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264473;MM264473;N=C(C=NO)NC(=O)CF;VXCIKJOFTXSJLG-UHFFFAOYSA-N;147.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264474;MM264474;CNN1CC(CO)C1=O;YJUITKUAYKLKNU-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264475;MM264475;C=C(CO)NC(=O)C=NN;OINVOFVTMKNQET-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264476;MM264476;C=C(CO)NC(=O)C=NO;JEIKXGVWRXTUSN-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264477;MM264477;C=C(CF)NC(=O)C=NO;SZWFIYNCCFNQLQ-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264478;MM264478;N=C(CO)NC(=O)C=NN;CVLGMUSEKLOSRT-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264479;MM264479;N=C(CO)NC(=O)C=NO;LYOFPCAOIFAIEY-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264480;MM264480;N=C(CF)NC(=O)C=NN;YVWZFRLCXDIJGG-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264481;MM264481;N=C(CF)NC(=O)C=NO;MUJFBJYORGEBGO-UHFFFAOYSA-N;147.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264482;MM264482;CCC(=O)NC(=O)C=NO;SJFAIDSPNZRUKL-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264483;MM264483;NN=CC(=O)NC(=O)CO;BDEBQGKBPVMLEJ-UHFFFAOYSA-N;145.12;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264484;MM264484;O=C(C=NO)NC(=O)CO;RGPFXWBTPFGPJU-UHFFFAOYSA-N;146.1;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264485;MM264485;NN=CC(=O)NC(=O)CF;SVQUYOFTEICZOY-UHFFFAOYSA-N;147.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264486;MM264486;C=C(C=CC)NC(=N)NN;FWPSYYCPPBPKHX-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264487;MM264487;C=C(C=CF)NC(=N)NN;KCPIBGNSWMNKQC-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264488;MM264488;C=C(C=CC)NC(=O)NC;ICSIKLRDBGYXSE-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264489;MM264489;C#CC(CNC=O)=NN;GFVQCXCVIBONSN-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264490;MM264490;C=C(C=CC)NC(=O)NO;WLYWSKSGYUSCJT-UHFFFAOYSA-N;142.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264491;MM264491;C=C(C=CF)NC(=O)NO;FJGFBUQHYGUBOC-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264492;MM264492;CNC(=N)NC(=N)C=CN;ZKDXDZZVBCVFII-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264493;MM264493;N=C(C=CN)NC(=N)NN;MBMLQJFJLIUAGI-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264494;MM264494;CC1C(C(=O)CF)N1C;RKISDMDHPGRDIB-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264495;MM264495;N=C(C=CN)NC(=O)NO;TWXHQQASPVCHLL-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264496;MM264496;CC=CC(=O)NC(=O)NC;TYLUQNBGDJJFJS-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264497;MM264497;NC=CC(=O)NC(=O)NN;CKWNZOVWTBHOCK-UHFFFAOYSA-N;144.13;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264498;MM264498;C=C(C=NO)NC(=N)NN;XMADLIASYHIQCR-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264499;MM264499;C=C(C=NN)NC(=O)NO;UDUJKDOIBSUGSJ-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264500;MM264500;C=C(C=NO)NC(=O)NO;LJBZJDUUHZPYNF-UHFFFAOYSA-N;145.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264501;MM264501;CNC(=N)NC(=N)C=NO;KZVYOORSYJOZKB-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264502;MM264502;N=C(C=NO)NC(=N)NN;ZRKWTFGWQRUGSW-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264503;MM264503;CNC(=O)NC(=N)C=NN;AKPOEDHHILYXDA-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264504;MM264504;CNC(=O)NC(=N)C=NO;BBKQHZHQNKIZCL-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264505;MM264505;N=C(C=NN)NC(=O)NN;YNXJFUAGJQFHQE-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264506;MM264506;N=C(C=NO)NC(=O)NN;FEDJIEVRCSFRIH-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264507;MM264507;N=C(C=NN)NC(=O)NO;SWRAEDUCLLYCLM-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264508;MM264508;N=C(C=NO)NC(=O)NO;OSJWMXXSVGHNKC-UHFFFAOYSA-N;146.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264509;MM264509;CNC(=N)NC(=O)C=NN;KGZPBBLIQOUECJ-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264510;MM264510;CNC(=O)NC(=O)C=NN;OYIWPLCNUAICJB-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264511;MM264511;CNC(=O)NC(=O)C=NO;WJZHZCLABRCZTA-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264512;MM264512;NN=CC(=O)NC(=O)NN;YTIBPVAJHNGOAK-UHFFFAOYSA-N;145.12;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264513;MM264513;NNC(=O)NC(=O)C=NO;LVRKARAYLJPOLN-UHFFFAOYSA-N;146.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264514;MM264514;NN=CC(=O)NC(=O)NO;BMEILNJMUMTHQF-UHFFFAOYSA-N;146.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264515;MM264515;C=C(NC(=N)C=CC)OC;PQHXXNCNMQIUSO-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264516;MM264516;C=C(NC(=N)C=CN)OC;GKMGZRVJWQJZRA-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264517;MM264517;COC(=O)NC(=N)C=CN;BZFLUCFCIZRVNZ-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264518;MM264518;COC(=N)NC(=O)C=CN;CQTFUSLPLMVHEW-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264519;MM264519;CNC(=O)C=CC(C)(F)F;CGYIDQWJJAJMSG-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264520;MM264520;CON=CN(N)CC(C)O;MZCKHOOZJIUTKF-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264521;MM264521;CCC=NN(C)CC(C)O;MUYAXRPOHVBUIC-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264522;MM264522;COC(=O)NC(=N)C=NN;MWYDROSHDICZQS-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264523;MM264523;COC(=N)NC(=O)C=NN;XBSPSGUMCYBTCX-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264524;MM264524;COC(=O)NC(=O)C=NN;MHCDCCYPGOYUBK-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264525;MM264525;C=C(C=CC)OC(=C)CC;FHUFFHRTIIYBSX-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264526;MM264526;C=C(C=CF)OC(=C)CN;PEZNQWIJXBDIGC-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264527;MM264527;C=C(C=CC)OC(=O)CF;LWPAJVQUGQHAAW-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264528;MM264528;C=C(CC)OC(=O)C=CC;GCNFJNUSFNQYIM-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264529;MM264529;C=C(CC)OC(=O)C=CN;AYMIVIAHPPGGDR-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264530;MM264530;C=C(CN)OC(=O)C=CN;IABCVEQWFQZUQO-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264531;MM264531;CC(O)CN(C)N=CCF;UHGBRRUFPKNWHF-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264532;MM264532;C=C(C=NO)OC(=C)CO;OLURVKAFIGIWBC-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264533;MM264533;C=NN=CN(N)CC(C)O;NLZPRVJVQABQGF-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264534;MM264534;CN(C=N)N=C(N)C(N)=O;BOOOTPUOIJSMOV-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264535;MM264535;C=C(C=CF)OC(=O)OC;XBEYEAYIHDKNLK-UHFFFAOYSA-N;146.12;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264536;MM264536;C=CC(=C)CC(=C)C=CC;GAYCUJKYTRWUQL-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264537;MM264537;C=C(C=O)CC(=C)C=CC;JSIMOZDPWBJYRF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264538;MM264538;C=C(C#N)CC(=C)C=CC;SFCWOUALOIAMRX-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264539;MM264539;C=CC(=C)CC(=O)C=CC;KZXRHIIOHXTYHO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264540;MM264540;C=CC(=C)CC(=O)C=CN;DOOHDFXVUWTQEZ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264541;MM264541;C=CC(=C)CC(=O)C=CF;ANIOKUYDHWNZLU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264542;MM264542;C=C(C=O)CC(=O)C=CC;IVWHBBCRSKRLRT-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264543;MM264543;C=C(C=O)CC(=O)C=CN;AAKMTAKAIZUVJG-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264544;MM264544;C=C(C#N)CC(=O)C=CN;LQBXMQKGXRRMDZ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264545;MM264545;C=C(C=O)CC(=O)C=CF;FQPINFQUZVRUNW-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264546;MM264546;C=CC(=O)CC(=O)C=CC;GPCAQSUVTOMDDZ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264547;MM264547;C=CC(=C)CC(=O)C=NO;CLBJGNZSHLQVLW-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264548;MM264548;COC(C)=CC(=O)O;BNKISRDHFGXPMO-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264549;MM264549;C=C(C=CC)N=C(N)C=O;IEZHTUYFVHNWBC-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264550;MM264550;C=C(C=CC)NC(=N)C#N;OMDLFOFFBLSEHS-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264551;MM264551;C=CC(=O)NC(=C)C=CC;VVSIPPZFEQDSSJ-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264552;MM264552;C=C(C=CC)NC(=O)C#N;OPSRNFLHCZALME-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264553;MM264553;C=C(C=CF)NC(=O)C#N;ABILHFWKMYXYHQ-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264554;MM264554;C=CC(=C)NC(=N)C=CC;KRBQZEAXWHMGNF-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264555;MM264555;C=CC(=C)NC(=N)C=CN;JZWFMAHRIAXISP-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264556;MM264556;C=C(C#N)NC(=N)C=CC;MCMGHRCUKZLGFO-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264557;MM264557;CN(O)C=NN(C)CC#N;OCHMJWZTJORMFZ-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264558;MM264558;CN(O)C=NN(C)C=NN;KANOTFKDZRBVGB-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264559;MM264559;CC(=CC=O)CC(=O)O;QDHGBTUGFMGYQX-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264560;MM264560;C=CC(=C)NC(=O)C=CC;FBOCETMCGXVVTD-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264561;MM264561;C=CC(=C)NC(=O)C=CN;UBROAUNJTFPGAM-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264562;MM264562;C=C(C=O)NC(=O)C=CC;XVGLRVFAUFMQBU-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264563;MM264563;C=C(C#N)NC(=O)C=CC;LCEPNKUVXJAHTQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264564;MM264564;C=C(C#N)NC(=O)C=CF;XDUWDAZYQIJQFA-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264565;MM264565;CC(=O)N(C)N=CN(C)O;YFWCPNBECMKPLX-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264566;MM264566;COC(=N)NN=CN(C)O;IXEALZGBNKYYSS-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264567;MM264567;CC=C(C=O)C=CC(=O)O;WVMMKKUXBUHQET-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264568;MM264568;Cc1n[nH]c(N)c(F)c1=O;BTKAFYSOHBWQAL-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264569;MM264569;C=CC(=O)NC(=O)C=CC;QPNIKQOMMMOUGM-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264570;MM264570;C=CC(=N)NC(=C)C=NO;BTLOIGWMSKIMOU-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264571;MM264571;C=CC(=O)NC(=C)C=NO;UENNOKAXQZPHQK-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264572;MM264572;N#CC(=N)NC(=N)C=NO;PKTRQINGPLLTIX-UHFFFAOYSA-N;139.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264573;MM264573;C=CC(=O)NC(=N)C=NN;CDJCLSXYMRELAW-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264574;MM264574;C=CC(=O)NC(=N)C=NO;ZBPSIVUQMVZWJX-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264575;MM264575;C#CC(=O)N(N)CC(C)O;RMYDATLLDSZQGZ-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264576;MM264576;C=NN(CCF)CC(C)O;XTPWRUSAIJWAIL-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264577;MM264577;C=CC(=N)NC(=O)C=NO;VQMYEYXXSTTXFQ-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264578;MM264578;CC(=CC(=O)O)C(F)CO;YMIIIUAAACXQMF-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264579;MM264579;C=C(C=O)OC(=C)C=CC;ODYBLPHAQDRZFJ-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264580;MM264580;C=CC(=O)OC(=C)C=CC;YLVRKYRFXQEWDR-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264581;MM264581;C=CC(=C)OC(=O)C=CC;VOQIGJXHGBNXDB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264582;MM264582;C=C(C=O)OC(=O)C=CC;VIDQWJSCKKWRES-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264583;MM264583;C=C(C#N)OC(=O)C=CN;PBNJWSLNZIJEQF-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264584;MM264584;C=C(C=O)OC(=O)C=CF;AACKJTIEQKIEKH-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264585;MM264585;C=C(C=NO)OC(=O)C=O;ZIAHYVWRFLLNMY-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264586;MM264586;C#CC(=C)CC(=C)C=CC;HRFPPOOCQZQGMT-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264587;MM264587;C#CC(=O)CC(=C)C=CC;UAHLYSVFAULDBS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264588;MM264588;C#CC(=C)CC(=O)C=CC;BNSSNEILWPPMAB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264589;MM264589;C#CC(=O)CC(=O)C=CC;KMWOUURHJMZHCN-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264590;MM264590;C#CC(=O)CC(=O)C=CN;CNUZYSNORUOHFW-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264591;MM264591;C#CC(=N)NC(=C)C=CC;GUTTZVGVLPCUEZ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264592;MM264592;C#CC(=C)NC(=N)C=CC;NFYUTGJDIJHSQP-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264593;MM264593;C#CC(=C)NC(=N)C=CN;WTXNFUHWOFORNP-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264594;MM264594;C#CC(=N)NC(=N)C=CN;OXCONKYIJZXJPH-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264595;MM264595;C=CCN(CC(C)O)N=C;KIRNCIUXQNTOHR-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264596;MM264596;C#CC(=N)NC(=O)C=CN;NYYKUKCZYWCNEQ-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264597;MM264597;C#CC(=O)NC(=O)C=CN;MMCCZQJXZGNZHO-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264598;MM264598;C#CC(=O)NC(=N)C=NN;QSKPUZVGNPQRSN-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264599;MM264599;C#CC(=O)NC(=N)C=NO;MZEQMKXKSKNPIL-UHFFFAOYSA-N;139.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264600;MM264600;C#CC(=C)NC(=O)C=NO;MGLVMDZHSDXUIO-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264601;MM264601;C#CC(=N)NC(=O)C=NN;MRYUENRHYQWHIU-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264602;MM264602;C#CC(=N)NC(=O)C=NO;YRBWSEWFWRBBJH-UHFFFAOYSA-N;139.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264603;MM264603;C#CC(=O)NC(=O)C=NN;KGKJUTDJZQAYSI-UHFFFAOYSA-N;139.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264604;MM264604;C#CC(=C)OC(=C)C=CC;PHWAMGVOGKOMJU-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264605;MM264605;C#CC(=O)OC(=C)C=CC;GQYAKWARJPVRAM-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264606;MM264606;C#CC(=C)OC(=O)C=CC;MKGJSRCCENWZDW-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264607;MM264607;C#CC(=C)OC(=O)C=CN;NUNOLMIPIGBHLF-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264608;MM264608;CC#CC(C)CC(C)CC;AYWRCFLCLGMPOR-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264609;MM264609;CC#CC(C)CC(C)CN;QNMLIXOJDQIWFX-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264610;MM264610;C#CC1(F)CC(=O)N(N)C1;NLHFFYGEDCHERC-UHFFFAOYSA-N;142.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264611;MM264611;CC#CC(C)CC(N)CC;UUFAWANJDNZMOY-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264612;MM264612;CC#CC(C)CC(N)CN;VROMKGCWEKWCCX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264613;MM264613;CC#CC(C)CC(N)CF;IQYVEQNHBXRTQZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264614;MM264614;COCCNN=CN(C)O;YEFHLEGMCCNTEU-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264615;MM264615;CC#CC(C)CC(O)CN;HYMLRYTXHUWASB-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264616;MM264616;CC#CC(C)CC(O)CF;JTRCQIUINCXNDK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264617;MM264617;CC#CC(C)CC(F)CC;VMNHFQHDZZSTRJ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264618;MM264618;CC#CC(C)CC(F)CN;FOBRYOCUDRRVLK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264619;MM264619;CC#CC(C)CC(F)CO;ONDPRCWCNYXCMV-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264620;MM264620;CC#CC(C)CC(F)CF;VZKAQIIGHGOIPR-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264621;MM264621;CC#CC(N)CC(C)CC;KKFBRTHRVMJLGA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264622;MM264622;CC#CC(N)CC(C)CN;HYDWSHYNEPHCHW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264623;MM264623;CC#CC(N)CC(C)CF;ZDWYQVMCTLLUCJ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264624;MM264624;CC#CC(N)CC(N)CC;VHFZQYJKHCXIKG-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264625;MM264625;CC#CC(N)CC(N)CO;AVKNKBGEJLHNFJ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264626;MM264626;CC#CC(N)CC(O)CC;OWIMSKRTXCWYDH-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264627;MM264627;CC#CC(N)CC(O)CF;FBVHPZKGILPSBB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264628;MM264628;CC#CC(O)CC(C)CC;RJZJNXOIXQFBPS-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264629;MM264629;CC#CC(O)CC(C)CN;MKDPIHKQTLOJHM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264630;MM264630;CC#CC(O)CC(N)CC;NGJFCJMMLAKVEQ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264631;MM264631;CC#CC(O)CC(O)CC;IVTWTZGOZFWXMV-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264632;MM264632;CC#CC(O)CC(O)CO;KGCFAFPDGWSMLD-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264633;MM264633;CC#CC(O)CC(O)CF;PUVMYWBTKLRSMA-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264634;MM264634;CC#CC(F)CC(C)CC;CPPWBQYVWMBNKP-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264635;MM264635;CC#CC(F)CC(C)CN;PWDHPFANKDNGLP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264636;MM264636;CC#CC(F)CC(F)CC;HEEPTQGNVVJXLQ-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264637;MM264637;CC#CC(C)CC(C)NC;PZNSAHIAQPUXND-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264638;MM264638;CC#CC(O)CC(C)NC;QOUZRHTZOBXJBC-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264639;MM264639;CC#CC(F)CC(C)NC;RWWFVGKQYAJZKA-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264640;MM264640;CC#CC(C)CC(C)OC;JXDKAIAPGGNHOZ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264641;MM264641;CC#CC(N)CC(C)OC;HZHBMVFVYRGMSZ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264642;MM264642;CC#CC(O)CC(C)OC;IZHBBKUSBHLEOI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264643;MM264643;CC#CC(F)CC(C)OC;VTJWVDVBRINDRI-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264644;MM264644;CC#CC(C)NC(C)CC;HSIUVRBZNCKXAJ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264645;MM264645;CC#CC(C)NC(C)CN;VDVQBJDAHISUOA-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264646;MM264646;CC#CC(C)NC(C)CO;ZBAMACAFAGCTSW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264647;MM264647;CC#CC(C)OC(C)CC;KGRICXPYMFZXQA-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264648;MM264648;CC#CC(C)OC(C)CN;YCKZHUMOWMZJQL-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264649;MM264649;CC#CC(C)OC(C)CF;ATSFHLVLJMRATK-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264650;MM264650;CC#CC(C)OC(C)OC;KMRCKURCHKSMND-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264651;MM264651;CC#CC(C)CN(C)CC;XJVSFMWZXOATFU-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264652;MM264652;CC#CC(O)CN(C)CC;NYQBKAWNUDBAIB-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264653;MM264653;C=CC(C)CC(C)C#CC;LKVPOMZDUQTQKA-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264654;MM264654;CC#CC(C)CC(C)C=O;REUQZWFHWMOZCQ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264655;MM264655;CC#CC(C)CC(C)C#N;MURIEKAXFGNGFS-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264656;MM264656;C=CC(N)CC(C)C#CC;BAPQJLPNKBOUQX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264657;MM264657;C#CCCNN=CN(C)O;BRHYRNAVUYVKCB-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264658;MM264658;CC#CC(C)CC(O)C=O;PADRGUCEUVZUSV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264659;MM264659;CC#CC(C)CC(O)C#N;IWQYHUHDWCEXDL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264660;MM264660;C=CC(F)CC(C)C#CC;PZEXGAPLWVGCKO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264661;MM264661;CC#CC(C)CC(F)C=O;JZPPUTLTKZWYIO-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264662;MM264662;CC#CC(C)CC(F)C#N;BIDRPZVBAJYCFV-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264663;MM264663;C=CC(C)CC(N)C#CC;BXKAZYBQIGPGMX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264664;MM264664;CC#CC(O)CC(C)C=O;JYEQSXNVZCEWQT-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264665;MM264665;CC#CC(O)CC(C)C#N;KELPGJSJMDVPEQ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264666;MM264666;C=CC(O)CC(O)C#CC;PURMAVIDPMDICF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264667;MM264667;CC#CC(O)CC(O)C#N;JLZWYKRIYHHPTJ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264668;MM264668;CC#CC(F)CC(C)C=O;IBVCJSAOWVIVKV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264669;MM264669;CC#CC(F)CC(C)C#N;KCZGQOZXUREJQS-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264670;MM264670;C=CC(N)CC(F)C#CC;QJGURHKUZQXVHR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264671;MM264671;C=CC(O)CC(F)C#CC;ZKZDXUYYVOHXAE-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264672;MM264672;C=CC(C)NC(C)C#CC;CHBSDJZNLOSRAR-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264673;MM264673;CC#CC(C)NC(C)C#N;DREITTIQYQHEMH-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264674;MM264674;C=CC(C)OC(C)C#CC;REWODISGWVXOFV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264675;MM264675;CC#CC(C)OC(C)C=O;WICSXISYKDZNCF-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264676;MM264676;CC#CC(C)OC(C)C#N;BADDATVNFVXATQ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264677;MM264677;CC#CC(C)CN(C)C=N;WIKKSZOSRFXAGV-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264678;MM264678;CC#CC(C)CN(N)C=N;GJBVMTOUMLCXKQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264679;MM264679;CC#CC(C)CN(N)C=O;OUSXRUQYQSMYFZ-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264680;MM264680;CC#CC(N)CN(C)C=N;DBKNEHBMGLNWHD-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264681;MM264681;CC#CC(O)CN(C)C=N;ZQRIWAKQLPFUBB-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264682;MM264682;CC#CC(O)CN(C)C=O;DGTYXRVCGVSLMO-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264683;MM264683;CC#CC(O)CN(N)C=N;KVDFFSVUXUWXDB-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264684;MM264684;CC#CC(F)CN(N)C=N;HOSZDAKQVDLCBE-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264685;MM264685;CC#CC(C)NN(C)C=O;OWJFREIZRXLIDB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264686;MM264686;CC#CC(C)ON(C)C=O;LTEGHFWKNOVLJZ-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264687;MM264687;C#CC(C)CC(C)C#CC;XZGSMQGIFQILSX-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264688;MM264688;C#CC(N)CC(C)C#CC;DOLCNEUSKCRJFI-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264689;MM264689;C#CC(O)CC(C)C#CC;YGFOZZVYDBCSRQ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264690;MM264690;C#CC(F)CC(C)C#CC;WSOLHYYRCZULCY-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264691;MM264691;C#CC(C)CC(N)C#CC;YWTKPLOSVDVCNW-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264692;MM264692;C#CC(C)CC(O)C#CC;MJPYDBWWKZDRJO-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264693;MM264693;C#CC(C)CC(F)C#CC;GYHKFJLENJCUGI-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264694;MM264694;C#CC(N)CC(F)C#CC;IIXUMYVZUYNOKT-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264695;MM264695;C#CC(O)CC(F)C#CC;ATPZEWVPKZUHHW-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264696;MM264696;C#CC(C)OC(C)C#CC;INROZVSZBQXDAM-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264697;MM264697;C=C(CC)CC(C)C#CC;KMHJWPYYCGKZOH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264698;MM264698;C=C(CN)CC(C)C#CC;HKOYZHDWUFXZDK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264699;MM264699;C=C(CO)CC(C)C#CC;HHQYJSBLMYPMDT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264700;MM264700;C=C(CC)CC(N)C#CC;GHJCHIXAHVDAFQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264701;MM264701;C=C(CF)CC(N)C#CC;HZCSFMSFUKOFQE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264702;MM264702;C=C(CC)CC(O)C#CC;MUNLXJRIDZGGAL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264703;MM264703;CC#CC(O)CC(=O)CC;RIUFPVLOKIIQNS-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264704;MM264704;C=C(CC)CC(F)C#CC;LZFVYQJBKVLELD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264705;MM264705;C=C(CN)CC(F)C#CC;RONNOBVJMKWSJI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264706;MM264706;CC#CC(C)CC(=N)NC;DAFYIFFVVNZPML-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264707;MM264707;CC#CC(C)CC(=N)NO;ODVDDNMOPNGPCI-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264708;MM264708;CC#CC(C)CC(=O)NC;RCDZSXMHRRHIPQ-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264709;MM264709;CC#CC(C)CC(=O)NO;HACNATORCLSZOU-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264710;MM264710;CC#CC(O)CC(=O)NC;HKRWYKWOOPGIBU-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264711;MM264711;C=C(CC(C)C#CC)OC;NQHAPTJEEIZBRK-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264712;MM264712;CC#CC(C)CC(=O)OC;DUFXRDCLSGAWGX-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264713;MM264713;C=C(CC(O)C#CC)OC;ZAQBPPHEEWDUNU-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264714;MM264714;CC#CC(O)CC(=O)OC;BAWJFPMOXKSZOD-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264715;MM264715;C=C(CC(F)C#CC)OC;OYFCSYBBQACXKF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264716;MM264716;CC#CC(C)NC(=N)CC;GKHJGDAAHCWMCU-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264717;MM264717;CC#CC(C)NC(=O)CC;OJBATSAQIYBXGN-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264718;MM264718;CC#CC(C)NC(=O)CO;XXGRLBWLWXMBPA-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264719;MM264719;CC#CC(C)NC(=N)NC;MXAZVPUCKKBOPC-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264720;MM264720;CC#CC(C)NC(=N)NN;LBOXAIOQFHAXIW-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264721;MM264721;C=C(CC)OC(C)C#CC;CPCYVUWPLDCKLP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264722;MM264722;C=C(CO)OC(C)C#CC;SKBSAZHAZGUIJK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264723;MM264723;C=C(CF)OC(C)C#CC;YGKAVUMQKMCLEQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264724;MM264724;CC#CC(C)OC(=O)CC;XTFFVROSRDCIOT-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264725;MM264725;CC#CC(C)OC(=O)CO;BBYJTQHXUGTLOB-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264726;MM264726;CC#CC(C)OC(=O)CF;BICKWUFAGRVMHO-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264727;MM264727;CC#CC(C)OC(=N)NC;LKRPQVFTWYXCBV-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264728;MM264728;CCN=CNN=CN(C)O;XDEBCOSMOCJWAQ-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264729;MM264729;CC#CC(C)OC(=O)OC;IPCOLTRBLFLBOG-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264730;MM264730;C=CC(=C)CC(C)C#CC;KMJYBFSPKYQUBP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264731;MM264731;C=C(C=O)CC(C)C#CC;LYTPGMXCABAFIR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264732;MM264732;C=C(C#N)CC(C)C#CC;FEMMLNAJGPKJSZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264733;MM264733;C=CC(=O)CC(C)C#CC;JMYXXINCIFPEQI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264734;MM264734;CC#CC(C)CC(=O)C=O;IUWSMCPGCKBFIK-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264735;MM264735;C=CC(=C)CC(N)C#CC;OSDRNCGTAPBYQU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264736;MM264736;C=CC(=C)CC(O)C#CC;QIVUAMZXYWLPBY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264737;MM264737;C=C(C=O)CC(O)C#CC;WLCKJTWFOVZLHS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264738;MM264738;C=C(C#N)CC(O)C#CC;KTDOJZNIVPHDDD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264739;MM264739;C=CC(=O)CC(O)C#CC;NDMXJJUDGZIFHH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264740;MM264740;C=CC(=C)CC(F)C#CC;LFGXIAJGNMXDNQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264741;MM264741;C=C(C=O)CC(F)C#CC;FSGRMIVZUPRXDO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264742;MM264742;C=C(C#N)CC(F)C#CC;PPBYZQYPYRGFRX-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264743;MM264743;C=CC(=N)NC(C)C#CC;ZRSYZIAMAJPQTB-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264744;MM264744;C=CC(=O)NC(C)C#CC;WUERRRKMCHDZQR-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264745;MM264745;CC#CC(C)NC(=O)C=O;PDFXMJQOTKJGAW-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264746;MM264746;C=CC(=C)OC(C)C#CC;GJNWRVBFUYDTEN-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264747;MM264747;C=CC(=O)OC(C)C#CC;CUOQLARYCJKBOT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264748;MM264748;CC#CC(C)OC(=O)C=O;HYWYMCDALIZHOA-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264749;MM264749;CC#CC(C)OC(=O)C#N;MVOLRHSKYQTVEM-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264750;MM264750;C#CC(=C)CC(C)C#CC;MSKPSMJTJNXINO-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264751;MM264751;C#CC(=C)CC(N)C#CC;HEIJVBYNDPGLKD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264752;MM264752;C#CC(=C)CC(O)C#CC;UICPUMAUPSENED-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264753;MM264753;C#CC(=C)CC(F)C#CC;DQLJRQCQLUFRAX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264754;MM264754;C#CC(=N)NC(C)C#CC;VRHVHIBSIVHFMI-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264755;MM264755;C#CC(=O)OC(C)C#CC;YFFVDIZTQIFZNO-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264756;MM264756;C=C(C#CC)CC(C)CC;IUSYHERXJIPPST-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264757;MM264757;C=C(C#CC)CC(C)CN;AVOIJEKEIJFQAA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264758;MM264758;CON=CNN=CN(C)O;CTMJWIWBEQDFBL-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264759;MM264759;C=C(C#CC)CC(N)CC;QZCXFTRCWZCBMP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264760;MM264760;C=C(C#CC)CC(N)CN;JBDFSQHELIIWMH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264761;MM264761;C=C(C#CC)CC(N)CO;QRZICRIALSWUOA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264762;MM264762;C=C(C#CC)CC(N)CF;YTHOQOZFNKMQOO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264763;MM264763;C=NNC=NC=CC(C)O;NAXXRRFZHHSJEY-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264764;MM264764;C=C(C#CC)CC(O)CN;LLPHNZKGBJBDKB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264765;MM264765;C=C(C#CC)CC(O)CO;XXNPTKATROCVRK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264766;MM264766;C=C(C#CC)CC(F)CC;VSTGGNCNILKDNC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264767;MM264767;C=C(C#CC)CC(F)CN;LASVOTSQNSXSLE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264768;MM264768;C=C(C#CC)CC(F)CF;BSDJFZZLMCXLMT-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264769;MM264769;CC#CC(=O)CC(C)CC;PPKLMZJDDBVIIX-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264770;MM264770;CC#CC(=O)CC(C)CO;DBKXYFMDZGCITP-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264771;MM264771;CC#CC(=O)CC(C)CF;OJWWYIMWHQQOSI-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264772;MM264772;CC#CC(=O)CC(O)CC;OFHQKLFPBWOWJP-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264773;MM264773;CC#CC(=O)CC(O)CO;GAPXKWLXEOPZML-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264774;MM264774;CC#CC(=O)CC(F)CC;QMNMLXQHHLYSKE-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264775;MM264775;CC#CC(=O)CC(F)CF;MEAVAWUIIPOBMA-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264776;MM264776;C=C(C#CC)CC(C)NC;GZKDQVMOGPBKEQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264777;MM264777;CC#CC(=O)CC(C)NC;YFMGMUPJDXVMSH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264778;MM264778;C=C(C#CC)CC(C)OC;PJOKCPSPNJFGQR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264779;MM264779;CC#CC(=O)CC(C)OC;OVZGPOKJLCYTRJ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264780;MM264780;CC#CC(=N)NC(C)CC;XQWZVUGWQFBHHK-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264781;MM264781;CC#CC(=O)NC(C)CC;SXUOEEGOTRPFLC-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264782;MM264782;CC#CC(=O)NC(C)CN;HQFYMTNVDGHJEF-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264783;MM264783;CC#CC(=O)NC(C)CF;RJCXVKKZWIFZEL-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264784;MM264784;CC#CC(=O)OC(C)CC;ZITMNJMXQCJZKR-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264785;MM264785;CC#CC(=O)OC(C)CN;QJKPXCAOMQSCLD-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264786;MM264786;CC#CC(=O)OC(C)CO;KQCCXLSXICUXDT-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264787;MM264787;CC#CC(=O)OC(C)CF;OPWPBXCXSFESCK-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264788;MM264788;C=C(C#CC)OC(C)OC;PMQFSJGETZSXCI-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264789;MM264789;CC#CC(=O)OC(C)OC;FDZHRQYQPPZULM-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264790;MM264790;C=C(C#CC)CN(C)CC;SPUPQNXKIYYRNM-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264791;MM264791;CC#CC(=O)NN(C)CC;KXHFXHNEITZAPK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264792;MM264792;C=CC(C)CC(=C)C#CC;VFVWYWFJYQSRJL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264793;MM264793;C=C(C#CC)CC(C)C=O;SUJFHYDECHRFIO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264794;MM264794;C=C(C#CC)CC(C)C#N;WUEBSSPSUSICCD-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264795;MM264795;C=CC(N)CC(=C)C#CC;UCYDCUMFAFGLDX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264796;MM264796;CN(O)C=NNC=CC=O;HGDCLSWPBOGEDN-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264797;MM264797;C=C(C#CC)CC(O)C#N;MINUUZOOVATITC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264798;MM264798;C=CC(F)CC(=C)C#CC;WQNHMGDCZBDBGT-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264799;MM264799;C=C(C#CC)CC(F)C#N;PHPOOLUIQOUVNR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264800;MM264800;C=CC(C)CC(=O)C#CC;ABOVYAXMTCFOBJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264801;MM264801;CC#CC(=O)CC(C)C=O;DKZWYWQVNXYDDQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264802;MM264802;C=CC(O)CC(=O)C#CC;HPMHYQRJYYWYDN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264803;MM264803;C=CC(F)CC(=O)C#CC;XJXWNGNTYKQIDQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264804;MM264804;CC#CC(=O)CC(F)C=O;QOSCYDAEYHWFKP-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264805;MM264805;CC#CC(=O)CC(F)C#N;MIPNRYFEWZIGBZ-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264806;MM264806;CC#CC(=O)NC(C)C=O;FPTKMVRKSQVKLT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264807;MM264807;CC#CC(=O)NC(C)C#N;ABRVLZCXIHQHIE-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264808;MM264808;C=CC(C)OC(=C)C#CC;OJNYWNFPCCUYPO-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264809;MM264809;C=CC(C)OC(=O)C#CC;UWOHRSVOCGLLDR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264810;MM264810;CC#CC(=O)OC(C)C=O;XBQWLNASPUUUDK-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264811;MM264811;CC#CC(=O)OC(C)C#N;XOMACXMXAPCVMC-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264812;MM264812;C=C(C#CC)CN(C)C=N;WROGJCPXGINFHK-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264813;MM264813;C=C(C#CC)CN(C)C=O;OXIUWGIEIFNGJZ-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264814;MM264814;C=C(C#CC)CN(N)C=O;SVVYOTXIPNFGCE-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264815;MM264815;C=NN(C)CC(=C)C#CC;VUFBFBDUJQYCOL-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264816;MM264816;CC#CC(=O)NN(C)C=N;PJBNETRQSCOLBM-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264817;MM264817;CC#CC(=O)NN(C)C=O;AKVRMRXLRNOHLO-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264818;MM264818;C#CC(C)CC(=C)C#CC;XYRJOYNRFBFVMG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264819;MM264819;C#CC(N)CC(=C)C#CC;LHTBSPNFYYIWSS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264820;MM264820;C#CC(O)CC(=C)C#CC;QROJZKAFGRMNQV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264821;MM264821;C#CC(F)CC(=C)C#CC;RBGCKLQFWNCXAY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264822;MM264822;C#CC(C)CC(=O)C#CC;KIVUNRGJHKQPIN-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264823;MM264823;C#CC(F)CC(=O)C#CC;RGLHKCKIXRTMIX-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264824;MM264824;C#CC(C)NC(=N)C#CC;LRYJFOCGVCMTRR-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264825;MM264825;C#CC(C)NC(=O)C#CC;YBXQPAJYYGYUMI-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264826;MM264826;C#CC(C)OC(=C)C#CC;QGEGBUMPMLCLBR-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264827;MM264827;C#CC(C)OC(=O)C#CC;KTGVMXBMLRWJBM-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264828;MM264828;C=C(C#CC)CC(=C)CC;JQZGPRDKUXWXRE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264829;MM264829;C=C(C#CC)CC(=C)CN;HUVIHLSCHKHYQO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264830;MM264830;C=C(C#CC)CC(=C)CO;YWWOGUAPPVNNID-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264831;MM264831;C=C(C#CC)CC(=C)CF;BRQAWGHZYJGIAB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264832;MM264832;C=C(C#CC)CC(=O)CC;BJIRAHUCLYNLIW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264833;MM264833;C=C(C#CC)CC(=O)CF;AFZOYCYHIXPOOR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264834;MM264834;C=C(CC)CC(=O)C#CC;DELGIGFWYNFFIL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264835;MM264835;C=C(CF)CC(=O)C#CC;AOVGWSYXAPSJGK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264836;MM264836;C=C(C#CC)CC(=N)NC;KOUUBUOFEHIABL-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264837;MM264837;C=C(C#CC)CC(=N)NN;VHHGRFSKXZYTFW-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264838;MM264838;C=C(C#CC)CC(=N)NO;RKPXNKPPAAGJIA-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264839;MM264839;CN(O)C=NC=NCC=O;ZZQVVTQFLORBCB-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264840;MM264840;C=C(C#CC)CC(=O)NO;WGPFZEZEZFNCGK-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264841;MM264841;C=C(C#CC)CC(=C)OC;IKSMLPWYZFDDIW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264842;MM264842;C=C(C#CC)CC(=O)OC;MSQJYFISAXHGQB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264843;MM264843;C=C(CC(=O)C#CC)OC;WHQHYGNAGRISIA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264844;MM264844;C=C(C#CC)NC(=N)CC;KLDHKMLSIAADAW-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264845;MM264845;C=C(C#CC)NC(=O)CC;QGJSJNDSLGMBQI-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264846;MM264846;C=C(C#CC)NC(=O)CF;OENYMZAJEHLNHW-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264847;MM264847;C=C(CC)NC(=N)C#CC;ZEQIOANBQXGJNE-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264848;MM264848;CC#CC(=N)NC(=N)CC;UTEKKJGJXGVENX-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264849;MM264849;C=C(CC)NC(=O)C#CC;SPHOMIUCQGEJSR-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264850;MM264850;C=NNCCC(O)CCC;FGWRXDREPKHUJO-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264851;MM264851;CC#CC(=O)NC(=N)CO;XZMIMFJXUZIQJR-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264852;MM264852;CC#CC(=O)NC(=O)CO;XAEMCQDFJOSTNC-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264853;MM264853;C=C(C#CC)NC(=N)NC;PRPFJDPJACUDEE-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264854;MM264854;C=C(C#CC)NC(=N)NO;PGHZZVGKYZTVRB-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264855;MM264855;C=C(C#CC)NC(=O)NC;LNVAMNBXGYHJPY-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264856;MM264856;C=CCONC(=N)C(N)=O;UBKBTGQTDSETCE-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264857;MM264857;C=C(C#CC)NC(=O)NO;INXICUNCJGGUBV-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264858;MM264858;CC#CC(=O)NC(=O)NN;RNOWXQHVIIUYKZ-UHFFFAOYSA-N;141.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264859;MM264859;CC#CC(=O)NC(=O)NO;HUJBCHJFYHELDW-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264860;MM264860;CC#CC(=N)NC(=N)OC;ZTFZBCZZNDPGGT-UHFFFAOYSA-N;139.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264861;MM264861;CC#CC(=N)NC(=O)OC;UQXHLCWDQMGYFY-UHFFFAOYSA-N;140.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264862;MM264862;CC#CC(=O)NC(=O)OC;HZBCXKVAUZJTBT-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264863;MM264863;C=C(C#CC)OC(=C)CC;OAGYYGHJTYHUPF-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264864;MM264864;C=C(C#CC)OC(=C)CO;KXQAVNYIJKTYKX-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264865;MM264865;C=C(C#CC)OC(=O)CC;JQMULUUSACLXGC-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264866;MM264866;C=C(C#CC)OC(=O)CF;HYTVDWLNPSIQSX-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264867;MM264867;C=C(CC)OC(=O)C#CC;BWSXCRQQYRCAEA-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264868;MM264868;C=C(CN)OC(=O)C#CC;KYZWTNICRMLUCF-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264869;MM264869;C=C(CO)OC(=O)C#CC;XETZRMIXZQJETG-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264870;MM264870;C=C(CF)OC(=O)C#CC;ZMKXRFYQZSIIEE-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264871;MM264871;C=C(C#CC)OC(=O)OC;OXDISVUTPSANDI-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264872;MM264872;C=CC(=C)CC(=C)C#CC;RSJFODZPYSQGMO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264873;MM264873;C=C(C#CC)CC(=C)C=O;GFHRCSXQJGTQKS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264874;MM264874;C=C(C#N)CC(=C)C#CC;BQKWZCAAFIZQJD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264875;MM264875;C=CC(=O)CC(=C)C#CC;RVVRPCNFIQYGCR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264876;MM264876;C=C(C#CC)CC(=O)C=O;JTJPWPZOWQGGPP-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264877;MM264877;C=C(C#CC)CC(=O)C#N;XGXWDYUHBTUXFU-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264878;MM264878;C=CC(=C)CC(=O)C#CC;FJBSFWWABBENLE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264879;MM264879;C=C(C=O)CC(=O)C#CC;UCCPDRWVJQNFCC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264880;MM264880;C=C(C#N)CC(=O)C#CC;NRJARISIFANDKH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264881;MM264881;Cc1n[nH]n(C)c1=O;HLFOWTCFPSYHCJ-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264882;MM264882;OCc1nnn(O)c1F;DHKKITKUALILDH-UHFFFAOYSA-N;133.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264883;MM264883;C=CC(=O)NC(=C)C#CC;PHYIPUVDTPGEST-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264884;MM264884;C=C(C#CC)NC(=O)C=O;WKOLEIRPDPJCJG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264885;MM264885;C=CC(=N)NC(=N)C#CC;WBVYFZBNPQWQKU-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264886;MM264886;C=CC(=O)NC(=N)C#CC;YXYXHZVVCHOXDU-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264887;MM264887;C=CC(=C)NC(=O)C#CC;PVBZITHLWMWNOW-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264888;MM264888;C=C(C=O)NC(=O)C#CC;BXLNYTHPPUZMQE-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264889;MM264889;C=C(C#N)NC(=O)C#CC;HTUNDCNBPGXEPI-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264890;MM264890;CN=CNN=C(N)C(N)=O;DYWXCYUSILXLBX-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264891;MM264891;C=CC(=O)NC(=O)C#CC;KOHVRABEDYSUPD-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264892;MM264892;C=CC(=O)OC(=C)C#CC;GUFYBEPJLNYBPP-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264893;MM264893;C=C(C#CC)OC(=O)C=O;YFKSHMPLMFZBKB-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264894;MM264894;C=C(C#CC)OC(=O)C#N;INUGDVOHSHBXAB-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264895;MM264895;C=CC(=C)OC(=O)C#CC;NDHFEZVVCSGHHE-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264896;MM264896;C=C(C=O)OC(=O)C#CC;XZMRIKLOKUUOEX-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264897;MM264897;C=C(C#N)OC(=O)C#CC;ZEDINHQHAOXKDP-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264898;MM264898;C#CC(=C)CC(=C)C#CC;QFOODGDGFUHYSU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264899;MM264899;C#CC(=O)CC(=C)C#CC;ZXNYHSHOMANAGM-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264900;MM264900;C#CC(=C)CC(=O)C#CC;UNHIPYPRVWJMKZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264901;MM264901;C#CC(=N)NC(=C)C#CC;AURQMLKIANWCCG-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264902;MM264902;C#CC(=O)NC(=C)C#CC;VXGXERGBYFXHQC-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264903;MM264903;C#CC(=C)NC(=N)C#CC;RRSOGVWQLBFPNQ-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264904;MM264904;C#CC(=C)NC(=O)C#CC;XBYKNRKACBQHQB-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264905;MM264905;C#CC(=N)NC(=O)C#CC;YVAYQPJDFQXDLC-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264906;MM264906;C#CC(=O)NC(=O)C#CC;DPVFMYBASCLBNC-UHFFFAOYSA-N;135.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264907;MM264907;C#CC(=C)OC(=C)C#CC;UPJUDLPSMXIGHA-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264908;MM264908;C#CC(=O)OC(=C)C#CC;VSCKQXAJSTXKDM-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264909;MM264909;C#CC(=C)OC(=O)C#CC;UTYUSGOSFIDEJW-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264910;MM264910;CC=C(C)CC(C)CCC;NMLLTOMMZIQBCA-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264911;MM264911;CC(=CF)CC(C)CCN;ZTSHGRYISGRKHL-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264912;MM264912;CC=C(F)CC(C)CCN;RZDNHPSYOWKCPR-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264913;MM264913;CC(CCN)CC(F)=CF;BGDXYSSSCIFEFP-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264914;MM264914;CC=C(C)CC(N)CCC;MLTBQSRBZXBRBN-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264915;MM264915;CC=C(C)CC(N)CCN;PEBHQBDUMBGEMJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264916;MM264916;CC=C(C)CC(N)CCF;MDFDOLBVKBBPNI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264917;MM264917;CCCC(N)CC(C)=CF;HDDZCJDWRPZFHH-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264918;MM264918;CC=C(F)CC(N)CCC;CDMOIOMZJYIMQH-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264919;MM264919;CC=C(F)CC(N)CCF;WGGBMQWIPXDUQH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264920;MM264920;CCCC(N)CC(F)=CF;OFJTVRXHFSNYBY-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264921;MM264921;NCCC(N)CC(F)=CF;QEDZSTWITAXVAQ-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264922;MM264922;NC(CCF)CC(F)=CF;HGXOHGKXFTUTIW-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264923;MM264923;CCNN(C(C)=O)C(N)=O;CQZGCQIRONIHNA-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264924;MM264924;CC(=CF)CC(O)CCO;XLRSQRLATRKFOB-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264925;MM264925;CC=C(F)CC(O)CCO;ZAQKRKUNIBHWPQ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264926;MM264926;CCCC(O)CC(F)=CF;NXDJTPPSWOGQQJ-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264927;MM264927;CC=C(C)CC(F)CCC;HEVQIUSIEFXLPZ-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264928;MM264928;CC=C(C)CC(F)CCO;KUQZHSJXKCWFDX-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264929;MM264929;CC=C(C)CC(F)CCF;XBEPHSVTTYYNSL-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264930;MM264930;CC(=CF)CC(F)CCO;CBAQUCHXYQMBHZ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264931;MM264931;CC(=CF)CC(F)CCF;KHSMDHVSHZIGHW-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264932;MM264932;CC=C(F)CC(F)CCC;KRQMEJXANZSICQ-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264933;MM264933;CC=C(F)CC(F)CCN;VGQZXYXJBXZORX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264934;MM264934;CC=C(F)CC(F)CCF;PGBPAXDGGLWZDM-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264935;MM264935;NCCC(F)CC(F)=CF;JWBWLMKIADTKTK-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264936;MM264936;FC=C(F)CC(F)CCF;XXGCLJXJTNWYBK-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264937;MM264937;CNCC(C)CC(C)=CF;CLQYROZRXQFGSE-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264938;MM264938;CNCC(C)CC(F)=CF;HAWDDUDEMNQPRZ-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264939;MM264939;CC=C(C)CC(N)CNC;QXOSQQRKIVGCRD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264940;MM264940;CNCC(N)CC(F)=CF;CTCXECCYDDJEQQ-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264941;MM264941;CNCC(O)CC(C)=CF;XUKZLBRWARLZSL-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264942;MM264942;CC=C(C)CC(F)CNC;SKVRUMJIIAXMPC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264943;MM264943;CNCC(F)CC(C)=CF;ZTHPBWFFGKFGMT-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264944;MM264944;CC=C(F)CC(F)CNC;MKIYHWTXXYELEJ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264945;MM264945;CNCC(F)CC(F)=CF;FDWKHLGWQWOTJT-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264946;MM264946;COCC(O)CC(F)=CF;RQULHSLAWDJBGD-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264947;MM264947;CCCC(C)CC(C)=NN;UQLZYGURWSUDAQ-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264948;MM264948;CC(CC(C)CCF)=NN;BBYIVRGHGGPABF-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264949;MM264949;CCN(C=N)N=CN(C)O;FHVBPCZNXQVRHU-UHFFFAOYSA-N;144.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264950;MM264950;CC(CC(C)CCO)=NO;NQYAJNUDEWTVBT-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264951;MM264951;CC(CC(C)CCF)=NO;BZDQSDYZGAYXLG-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264952;MM264952;CCCC(N)CC(C)=NO;UGCWAARPYAQBJX-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264953;MM264953;C#CCNN(C)C(=O)NC;VUYZHBQQCLDYGM-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264954;MM264954;CCN(C)N(C=O)C(N)=O;MLJODTIYIOZHHK-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264955;MM264955;CC(CC(O)CCO)=NO;VKUWJKRYGVKJGF-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264956;MM264956;CCCC(F)CC(C)=NN;NCKLIVSGXSALQE-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264957;MM264957;CC(CC(F)CCF)=NN;SEEGAPSIBBYTTO-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264958;MM264958;CCCC(F)CC(C)=NO;VDTIILRLDSTYIB-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264959;MM264959;CC(CC(F)CCF)=NO;PDWVDJOVJPUUCX-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264960;MM264960;CNc1nc(=O)n(C)n1N;YNORGRIUOPZFEZ-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264961;MM264961;COCC(O)CC(C)=NO;KOMVAPASSOECIE-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264962;MM264962;CCNC(C)CC(F)=CF;NZQYGCALTRZFFC-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264963;MM264963;CC(=NC(C)CCN)NO;GKFXYGSJPRNVHJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264964;MM264964;CC(=NC(C)CCO)NO;RPQXLTQABGKTFL-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264965;MM264965;CC(=NC(C)CCF)NO;JITVXQGQNAUCPJ-UHFFFAOYSA-N;148.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264966;MM264966;CNC(C)=NC(C)COC;PRMFOSRCKHDAIS-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264967;MM264967;CC=C(C)OC(C)CCC;QWCYUDUWZLNVGZ-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264968;MM264968;CC(=CF)OC(C)CCN;FEGWXNFTVUWFCJ-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264969;MM264969;CNC(C#N)C(=O)C=CN;MBSVJJLFXOJPST-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264970;MM264970;CC(=NO)OC(C)CCF;YEIVFDOBGHXWTR-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264971;MM264971;CC=C(C)OC(C)OCC;KYYPQFVNRUUKKX-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264972;MM264972;CNN=C(C)C(C=O)CO;DIPKUUQRMYGBPA-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264973;MM264973;CCOC(C)OC(C)=NO;FSCCVGSUKDEDBP-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264974;MM264974;CC=C(C)CN(C)CCC;VMVUQNOXSHFZPC-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264975;MM264975;CC=C(C)CN(C)CCN;DFNVERPYVKYADP-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264976;MM264976;CC=C(F)CN(C)CCN;RRMKYEZZAMWLIS-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264977;MM264977;CC(CN(C)CCN)=NO;LHJAORPHFJUOLT-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264978;MM264978;CCCN(C)N=C(C)NC;LBMWVQNDIVRDEM-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264979;MM264979;CC(=NN(C)CCN)NO;IKZZDEPLPHFWMS-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264980;MM264980;CC=C(C)CC(C)CC#N;FRFFPHPXEUBXMG-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264981;MM264981;CC(=CF)CC(C)CC=O;FBWCYEQTXSGVSN-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264982;MM264982;C=CCC(C)CC(F)=CC;VNPVZZWTQCQHKB-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264983;MM264983;CC=C(F)CC(C)CC=O;XGROODZMZQUAES-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264984;MM264984;C=CCC(C)CC(F)=CF;PPYFHMUQGNTXBJ-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264985;MM264985;C=CCC(N)CC(C)=CC;MUARPLJCGWZLLC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264986;MM264986;C=CCC(N)CC(C)=CF;VZJIFPNPNAWFPJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264987;MM264987;C=CCC(N)CC(F)=CC;VEPUZXUPKLZGJR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264988;MM264988;CC=C(C)CC(O)CC#N;IOTHPGNPYNMKQE-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264989;MM264989;CC=C(F)CC(O)CC#N;SHZJFXCKNVRLBQ-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264990;MM264990;N#CCC(O)CC(F)=CF;UBOCRGQRMLKZOK-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264991;MM264991;CC=C(C)CC(F)CC=O;RFVUPMKITCQODS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264992;MM264992;CC(=CF)CC(F)CC=O;SSMACJXUFDOUME-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264993;MM264993;C=CCC(F)CC(F)=CC;HHZWUKADEAHLOQ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264994;MM264994;CC=C(F)CC(F)CC=O;BGMJPULQSIOVBV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264995;MM264995;CC(CC(C)CC=O)=NO;CUVWSUPOBBUMGH-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264996;MM264996;C=CCC(N)CC(C)=NO;ZBHNXTJTQPUTPN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264997;MM264997;CCCc1cc(CC)[nH]n1;HDEARMOWMFTJJO-UHFFFAOYSA-N;138.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264998;MM264998;CC(CC(O)CC=O)=NO;MEZWWXPGGZXUBK-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM264999;MM264999;CC(CC(O)CC#N)=NO;YUSYQDJRAPVARV-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265000;MM265000;C=CCC(F)CC(C)=NN;CZZBBKSDMGZLPH-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265001;MM265001;NN=Cc1c[nH]c(CF)c1;SRHAELAQOXIFRS-UHFFFAOYSA-N;141.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265002;MM265002;CC(=CF)CC(C)NC=N;CHMHIXJVDHAAIG-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265003;MM265003;CC=C(F)CC(C)NC=N;UKUIYCGGJCICDF-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265004;MM265004;CC(CC(C)NC=N)=NN;CFKMXUXKDCOXJT-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265005;MM265005;CC(CC(C)NC=N)=NO;SXRCZCHRILBWPQ-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265006;MM265006;CC(CC(C)NC=O)=NO;PNPGASUIESRTGW-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265007;MM265007;C=COC(C)CC(C)=CF;ZDXCQDWYLFYFLR-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265008;MM265008;C=COC(C)CC(F)=CF;DMLSTMJSWHJXCR-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265009;MM265009;C=NOC(C)CC(C)=CC;UACJHXAVEXRBBG-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265010;MM265010;CC(CC(C)OC=O)=NN;ZRRATOZDMNZZIP-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265011;MM265011;CC(CC(C)OC=O)=NO;USUCJFUWTVGMIY-UHFFFAOYSA-N;145.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265012;MM265012;CN=C(C)NC(C)CC=O;VFHACSXORUNNKF-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265013;MM265013;CN=C(C)NC(C)CC#N;XDKWPLGHVPMEKK-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265014;MM265014;CC(=NC(C)CC#N)NO;SXTJRZMGSDJDJM-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265015;MM265015;C=CCC(C)OC(C)=CF;KWYGKNJCQASJFW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265016;MM265016;C=COC(C)OC(C)=CC;PUKXZCKXXXOJPR-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265017;MM265017;C=CC1C(C(=O)CF)N1C;JIOZJFQMOVOMBX-UHFFFAOYSA-N;143.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265018;MM265018;CC=C(F)CN(C)CC#N;OXCFPBZHOZROQI-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265019;MM265019;C=NNCC(C)O;CJXMBLJMRQQAGR-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265020;MM265020;CN(CC#N)CC(F)=CF;LAIWZVKGVYLCLA-UHFFFAOYSA-N;146.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265021;MM265021;CC(O)C=CC(N)=O;SAHSWSDSBCIEKI-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265022;MM265022;CC(CN(C)CC#N)=NO;GZNCZCJXPUGFEE-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265023;MM265023;CN(CC(F)=CF)NC=N;XQQDDUSECRGFML-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265024;MM265024;CN(CC(F)=CF)NC=O;KUFHYDDRLYOEIY-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265025;MM265025;N=C1OC(=O)CN1N;KLFVTKXLZHJHJR-UHFFFAOYSA-N;115.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265026;MM265026;C#CCC(C)CC(C)=CC;MJSCFLKQAKIRIR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265027;MM265027;C#CCC(F)CC(F)=CC;BWSGNWJWSSWLGT-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265028;MM265028;C#CCC(C)CC(C)=NN;YQEBCDCSTYUXHU-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265029;MM265029;C#CCC(C)NC(C)=NC;GZEVWVDTHPNJMK-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265030;MM265030;C#CCC(C)N=C(C)NO;LVSOBYWQHTUNAW-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265031;MM265031;C#CCC(C)OC(C)=CC;SPHMVPBUOXKLHG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265032;MM265032;C#CCC(C)OC(C)=CF;UUQKVRKOPYITBA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265033;MM265033;C#CCN(C)CC(F)=CC;QCYFQOLHAZYPDH-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265034;MM265034;C#CCN(C)NC(C)=NC;CQZXNPUDKOUAQE-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265035;MM265035;C=C(CCC)CC(C)=CC;ZLONRKNCBXAAKN-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265036;MM265036;C=C(CCN)CC(C)=CF;IDXPHESOAYXQQJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265037;MM265037;C=C(CCF)CC(C)=CF;LEXCHMDISSDMOS-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265038;MM265038;C=C(CCC)CC(F)=CC;GIOWFJIEOJVLRV-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265039;MM265039;C=C(CCF)CC(F)=CC;WCVMQYSGVGBGLN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265040;MM265040;C=C(CCN)CC(F)=CF;WHKMMVVSKMMPAQ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265041;MM265041;CC=C(C)CC(=O)CCC;XOMXXRKUIWPDKT-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265042;MM265042;CC(=CF)CC(=O)CCO;SUUPCNAPDFWUNY-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265043;MM265043;CC=C(F)CC(=O)CCC;TUCIXCKGAYCHNC-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265044;MM265044;CC=C(F)CC(=O)CCF;ROMIYPKUBZFCPM-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265045;MM265045;CCCC(=O)CC(F)=CF;DHWIRMGOKNBIGA-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265046;MM265046;C=C(CNC)CC(C)=CC;XNZAGLKYAJYWQP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265047;MM265047;C=C(CNC)CC(F)=CC;SQCNZESWNXXBPS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265048;MM265048;CC=C(F)CC(=O)COC;CBNCOUFVDPLNIB-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265049;MM265049;COCC(=O)CC(F)=CF;UWAQRTITFJFUGA-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265050;MM265050;C=C(CCC)CC(C)=NN;LZLVGSOGHBXVRX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265051;MM265051;C=C(CCF)CC(C)=NN;GPXDUTUCGFVSOQ-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265052;MM265052;C=C(CCN)CC(C)=NO;MFESFGPEWXXCJU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265053;MM265053;C=C(CCF)CC(C)=NO;DMACKORFSKLHFT-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265054;MM265054;CC=C(C)CC(=N)NCC;DJGXAFXUFOVIFV-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265055;MM265055;CCNC(=N)CC(C)=CF;LXCHIXUIXZVTNC-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265056;MM265056;CC=C(F)CC(=N)NCC;JTGRZEGVOFBWFM-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265057;MM265057;Nc1cc(C=O)c[nH]1;DXZBVZBQPJIWJG-UHFFFAOYSA-N;110.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265058;MM265058;CC=C(F)CC(=O)NCC;MLLOFJVISGWQTC-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265059;MM265059;CNNC(=N)CC(C)=CF;HCXKUIXFFUGAGB-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265060;MM265060;CNNC(=N)CC(F)=CF;QVWWKHGAMGUCRP-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265061;MM265061;CCCc1cc[nH]n1;QBNRQCHCKIIYGV-UHFFFAOYSA-N;110.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265062;MM265062;CC=C(C)CC(=N)NOC;ZZAJPXTVCAPTLB-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265063;MM265063;C=C(CC(F)=CC)OCC;HPCPTXXAWCJLIV-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265064;MM265064;CC=C(C)NC(=N)CCC;SUGVWIRVKYHANJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265065;MM265065;CCCC(=N)NC(C)=CF;ZDKFGAAHYMVTJQ-UHFFFAOYSA-N;144.19;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265066;MM265066;CC=C(C)NC(=O)CCC;CGUSYYMHZMKCRP-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265067;MM265067;CC=C(C)NC(=O)CCN;XLPGHWWLAHPKHP-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265068;MM265068;CC=C(C)NC(=O)CCO;KECSVLAEDPVQDF-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265069;MM265069;CC=C(C)NC(=O)CCF;AEEGYVVQLWXULN-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265070;MM265070;CCCC(=O)NC(C)=CF;MOWZAUVFLVOGRX-UHFFFAOYSA-N;145.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265071;MM265071;CC(=CF)NC(=O)CCF;PXELKRJSJGXUAT-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265072;MM265072;CNCC(=N)NC(C)=CF;LKYCPDTUYJZULT-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265073;MM265073;CNCC(=O)NC(C)=CF;JELJKJCUFWPPFP-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265074;MM265074;C=C(CCF)NC(C)=NC;PABATAWVPUPBQS-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265075;MM265075;C=C(CCO)NC(C)=NN;FVLGIWHHPRUWOL-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265076;MM265076;C=C(CCF)NC(C)=NN;STOYSTGZWJYKOC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265077;MM265077;C=C(CCN)NC(C)=NO;GJWPFJCIUBNUPD-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265078;MM265078;CN=C(C)NC(=N)CCO;FHPYWVINKSQLTQ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265079;MM265079;CCCC(=N)NC(C)=NN;WXIJTCNZLHTAAU-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265080;MM265080;CC(=NN)NC(=N)CCO;WFMJVAGGMNPRMI-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265081;MM265081;OCCc1cn[nH]c1;YVQFZSHMTCZYMI-UHFFFAOYSA-N;112.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265082;MM265082;CC(=NN)NC(=O)CCF;MVPQCEOSAMOEPX-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265083;MM265083;CC(=NO)NC(=O)CCF;BREZQGKXDJFAAM-UHFFFAOYSA-N;148.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265084;MM265084;CN=C(C)NC(=O)CNC;BUFLXLAQIXCEMP-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265085;MM265085;CNCC(=O)NC(C)=NN;FXYOCRZWDRIQJU-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265086;MM265086;C=C(COC)N=C(C)NC;UMQCFGQWNYTZDF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265087;MM265087;C=C(COC)N=C(C)NN;BFULAUYRYYZKEZ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265088;MM265088;COCC(=O)NC(C)=NO;BIUZIRHTVNOKSQ-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265089;MM265089;CC=C(C)NC(=N)NCC;PRKQNFWKLYOKSQ-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265090;MM265090;CCNC(=N)NC(C)=CF;NYNHMSACRPBHHI-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265091;MM265091;CCNC(=O)NC(C)=CF;VHKTUQZRBRTLGX-UHFFFAOYSA-N;146.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265092;MM265092;CONC(=N)NC(C)=CF;NPHQKSXKIGSDEB-UHFFFAOYSA-N;147.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265093;MM265093;CCNC(=N)NC(C)=NC;JOXJYDXKEGRSHM-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265094;MM265094;CCNC(=N)NC(C)=NN;FARNIHMRZFKVEY-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265095;MM265095;CCNC(=N)NC(C)=NO;MHBHKVRSIHHUTD-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265096;MM265096;CCNC(=O)NC(C)=NN;ACQOBSJOUBKOLY-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265097;MM265097;CN=C(C)NC(=N)NNC;QJKAOKZFPJQCOW-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265098;MM265098;CNNC(=N)NC(C)=NN;YRDHTHNKNSRDJO-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265099;MM265099;CNNC(=N)NC(C)=NO;UVPJMPCVUWTRHS-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265100;MM265100;CN(O)C=NC(=O)CN;QRGXOFVQGKXVGN-UHFFFAOYSA-N;131.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265101;MM265101;CONC(=N)NC(C)=NN;NOBCUQLXWJNMPD-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265102;MM265102;CONC(=O)NC(C)=NN;NENWDIBXFLFQEU-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265103;MM265103;CONC(=O)NC(C)=NO;TUFMKVFBFIDEGQ-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265104;MM265104;CC=C(C)NC(=N)OCC;CNLJVEQPFUFCTD-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265105;MM265105;CC=C(C)NC(=O)OCC;ASZIUURYCHSVDO-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265106;MM265106;CCOC(=O)NC(C)=CF;FKMVLGAMGAAFEQ-UHFFFAOYSA-N;147.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265107;MM265107;C=C(N=C(C)NN)OCC;PBXBFQQHUGGOMM-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265108;MM265108;COC(=N)N=CN(C)O;WYALENLRGXODDM-UHFFFAOYSA-N;131.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265109;MM265109;COC=NNCC(C)O;FAKKCPCYIXTKAT-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265110;MM265110;CCOC(=O)NC(C)=NN;TYBSZAXEBFJBHO-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265111;MM265111;CCOC(=O)NC(C)=NO;ABYMPXPQFYYPKY-UHFFFAOYSA-N;146.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265112;MM265112;C=C(CCC)OC(C)=CC;RQARPMXTOZDEDW-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265113;MM265113;C=C(CCC)OC(C)=CF;GNPUAVREODYEGR-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265114;MM265114;C=C(CCN)OC(C)=CF;GQWYGROFHQZKKO-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265115;MM265115;CC=C(C)OC(=O)CCF;HIUKLNNGVWDMDI-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265116;MM265116;CC(=CF)OC(=O)CCN;CGJRMBALLKZFPE-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265117;MM265117;CC(=CF)OC(=O)CCF;NPBKMSGYEDFONX-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265118;MM265118;C=C(CNC)OC(C)=CC;SCANDEPXXVHKIJ-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265119;MM265119;C=CC=NNCC(C)O;GAVQEBBAVNWHKO-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265120;MM265120;CC(=NO)OC(=O)CCN;SFKFUGHURVPPHN-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265121;MM265121;C#CCC(=O)C=NOC;OPQJBMADXQVSBE-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265122;MM265122;CNC(=O)COC=NN;VVRXXQGLOFNXKH-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265123;MM265123;CC=C(C)OC(=O)OCC;FSVTVDKIGXRURF-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265124;MM265124;C=C(CC=O)CC(C)=CC;MLJPLCMCSPGKLU-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265125;MM265125;C=C(CC#N)CC(C)=CC;BGXDOUOTWNOVMX-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265126;MM265126;C=CCC(=C)CC(C)=CF;MUFUDASTUJJBLE-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265127;MM265127;C=C(CC=O)CC(C)=CF;ANEDBOGZLFOBLP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265128;MM265128;C=CCC(=C)CC(F)=CC;URJYAJVBTXLZEA-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265129;MM265129;C=C(CC=O)CC(F)=CC;XZHJKSLLRZRLHN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265130;MM265130;C=C(CC=O)CC(F)=CF;CIEIONQTZBXQLQ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265131;MM265131;C=CCC(=O)CC(F)=CC;BMCQZWCXYVFAPS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265132;MM265132;C=CCC(=O)CC(F)=CF;CUFYJCZYMXEDCC-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265133;MM265133;C=CCC(=C)CC(C)=NN;JSTBFAHQBXAELY-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265134;MM265134;C=CCC(=C)CC(C)=NO;ORKVKTFKHFZIFA-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265135;MM265135;C=C(CC=O)CC(C)=NO;HHVOIXWVGSVQPY-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265136;MM265136;C=C(CC(C)=CC)NC=N;HUIWILAUKBKKEO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265137;MM265137;C=C(CC(C)=CF)NC=O;BIPGUTHSDLBLEN-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265138;MM265138;C=C(CC(F)=CF)NC=N;IHKYZIHEXISLLE-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265139;MM265139;C=C(CC(F)=CF)NC=O;BNFJYJFGOBRIHF-UHFFFAOYSA-N;147.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265140;MM265140;CC=C(C)CC(=N)NC=N;KLLAGMAXGVDUPT-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265141;MM265141;CC=C(F)CC(=N)NC=N;KJBBJAHNPRQGEQ-UHFFFAOYSA-N;143.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265142;MM265142;C=CNC(=N)CC(F)=CF;BFZTUVTWXLAZPV-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265143;MM265143;C=CNC(=O)CC(C)=CC;RTIUKCVGFNWOOT-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265144;MM265144;C=CNC(=O)CC(C)=CF;DQLNCAVOYOYFMZ-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265145;MM265145;C=CNC(=O)CC(F)=CC;KFHVPTHLURJUJO-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265146;MM265146;C=CNC(=O)CC(F)=CF;KBYYLNNNLQAYJT-UHFFFAOYSA-N;147.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265147;MM265147;N=CN(CCF)C(N)=O;RUDXWXHAMQZNQD-UHFFFAOYSA-N;133.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265148;MM265148;CC(=N)N(C=N)C(N)=O;IRBWYXMYLYMSSR-UHFFFAOYSA-N;128.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265149;MM265149;N=CN1CC(CO)C1=O;QFQXSRHFRAPCEQ-UHFFFAOYSA-N;128.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265150;MM265150;C=NNC(=O)CC(C)=CF;FMSBINFZCUOLIY-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265151;MM265151;C=CNC(=N)CC(C)=NO;ZYTZGPMVOIZDKE-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265152;MM265152;CC(CC(=N)NC=N)=NO;DDUKSGMTAPABBN-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265153;MM265153;CC(CC(=O)NC=O)=NO;LTDJQTUEPSSSGU-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265154;MM265154;CNc1n[nH]c(C)c1F;DWXHITSQEBPNBK-UHFFFAOYSA-N;129.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265155;MM265155;C=C(CC(F)=CF)OC=O;AUXROGXSKQUTRL-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265156;MM265156;C=COC(=O)CC(F)=CF;GWDWYIGZHSULAT-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265157;MM265157;C=NOC(=O)CC(C)=CC;BAOLGHDTJJMWMY-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265158;MM265158;C=NOC(=O)CC(C)=CF;WNVQZGCEBUUVTK-UHFFFAOYSA-N;145.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265159;MM265159;C=C(CC(C)=NN)OC=O;WOTYBNWLGYMZLN-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265160;MM265160;CNN=CC(C=O)CO;BLXUQKDYBVZJFJ-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265161;MM265161;C=COC(=O)CC(C)=NO;DQSKJTKXGZFOTB-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265162;MM265162;C=CCC(=N)NC(C)=CC;BVXMLNDCCCZSLO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265163;MM265163;CC=C(C)N=C(N)CC=O;PXQADIQXUFWLMP-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265164;MM265164;C=CCC(=O)NC(C)=CC;UNUZHQQDMIFGDH-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265165;MM265165;CC=C(C)NC(=O)CC#N;CHMDGZRLUDUTFA-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265166;MM265166;C=CCC(=N)NC(C)=NC;DOXQXYVFUGSBGV-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265167;MM265167;CN=C(C)NC(=N)CC#N;JZXVVZFKOYIQDH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265168;MM265168;CON=CC(C=O)CO;WMXPAGADPNEPNF-UHFFFAOYSA-N;131.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265169;MM265169;CN=C(C)NC(=O)CC=O;PZXNXNFIQIIOPI-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265170;MM265170;C=CCC(=O)NC(C)=NN;BZXBWGAJTORSDI-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265171;MM265171;C=CNC(=O)NC(C)=CC;ZMKUWINDEIXOSU-UHFFFAOYSA-N;140.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265172;MM265172;C=C(NC=O)NC(C)=NN;FUZLPCJCJZBFAM-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265173;MM265173;CN=C(C)NC(=N)NC=N;VPMQMWISOUUUDD-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265174;MM265174;CN=C(C)NC(=N)NC=O;BHIGSFNKPUGBBZ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265175;MM265175;CC(=NN)NC(=N)NC=N;IWRXQOZMDMJNBZ-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265176;MM265176;CC(=NO)NC(=N)NC=N;NPRZZZFYABZCMW-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265177;MM265177;CCC(O)CCN1CC1;USJZGHINZCQHBN-UHFFFAOYSA-N;129.2;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265178;MM265178;CN(O)C=NC(=N)OC=O;PXEPDQJBQAQCQB-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265179;MM265179;CN(O)C=NC(=O)C=CN;DYVZMJUWWHGNCB-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265180;MM265180;CC(=NN)NC(=O)NC=O;RZQVOKGVKRQXFS-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265181;MM265181;CC#CC(=O)N=CN(C)O;KWHGLJAVRIFGJW-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265182;MM265182;CC(=CF)NC(=N)OC=O;GUFKBZUORYMQCL-UHFFFAOYSA-N;146.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265183;MM265183;CC(N)C(=O)N=CN(C)O;PCVMLXONBYDLBN-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265184;MM265184;C=COC(=C)NC(C)=NC;RTSJXUVGZUTALS-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265185;MM265185;C=C(NC(C)=NC)OC=O;YYYYNJBWBVADHG-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265186;MM265186;CN(O)C=NC(=O)N(C)C;HLUMRWXBTRRHSY-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265187;MM265187;C=NOC(=O)NC(C)=NN;ISXVSYQDDGADJX-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265188;MM265188;C=CCC(=C)OC(C)=CC;AIXROJKVTFHKDZ-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265189;MM265189;CC=C(C)OC(=O)CC#N;YIGDZAIJPGKTGM-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265190;MM265190;CC(=CC=C(F)F)C(N)=O;ZXGIEVSVERZBKR-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265191;MM265191;C=C(NC=N)OC(C)=CC;ZLUGGZNGDAYZQZ-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265192;MM265192;C=C(NC=O)OC(C)=CC;KCFZOANAELGMSO-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265193;MM265193;C=C(NC=N)OC(C)=CF;OLRCGZDTFYKNOY-UHFFFAOYSA-N;144.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265194;MM265194;CC(=NN)OC(=N)NC=O;FWWWXKPVXSGWLW-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265195;MM265195;CC(=NN)OC(=O)NC=N;UGOARHXBRVTVIN-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265196;MM265196;CC(=NO)OC(=O)NC=N;KPAGWFSFVGQCDK-UHFFFAOYSA-N;145.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265197;MM265197;CC(=NO)OC(=O)NC=O;MENSSARRAMCNOH-UHFFFAOYSA-N;146.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265198;MM265198;C=NNC(=O)OC(C)=NN;QWWLHLMZCSBAIC-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265199;MM265199;C=COC(=O)OC(C)=CC;ZGJFPDKNLAHKPL-UHFFFAOYSA-N;142.15;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265200;MM265200;C#CCC(=C)CC(C)=CC;SVGYQJDMPHHROU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265201;MM265201;C#CCC(=C)CC(C)=CF;OCTBTSSZEIJGBB-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265202;MM265202;C#CCC(=C)CC(F)=CC;BKAJNYFZQAJOCH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265203;MM265203;C#CCC(=C)CC(F)=CF;UMDQCSSKFPGWKZ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265204;MM265204;C#CCC(=O)CC(C)=CC;ZKRVAAOWJBCEOS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265205;MM265205;C#CCC(=O)CC(C)=NO;VSZWMMMNUUCLAI-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265206;MM265206;C#CCC(=N)NC(C)=CC;FKOYWOYJTPQKBY-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265207;MM265207;C#CCC(=O)NC(C)=CF;AYYYAFZXUCHYEJ-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265208;MM265208;C#CCC(=C)NC(C)=NN;QFZAAFFEVQCMKN-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265209;MM265209;C#CCC(=N)NC(C)=NC;YOGHRTJXYHSGEI-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265210;MM265210;C#CCC(=O)NC(C)=NO;AERAXHJJDYTIOW-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265211;MM265211;C#CCC(=O)OC(C)=CC;ALOKCWXQPPDGER-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265212;MM265212;CC(O)CNN=C(N)C=O;TVGVRRHFGYWWPL-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265213;MM265213;C#CCC(=O)OC(C)=NO;SUZHNYLJEZOEKZ-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265214;MM265214;CC=CC(C)CC(C)=CF;OPUJRZSFVQHUDE-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265215;MM265215;CC=CC(C)CC(F)=CC;OWWAMUNOXNUKJU-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265216;MM265216;CC=CC(N)CC(C)=CC;HVNHYMDPCBXYDX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265217;MM265217;CC=CC(N)CC(C)=CF;QCLFIMRRQMCYLQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265218;MM265218;CC=CC(N)CC(F)=CC;WYELWBURZSKYCF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265219;MM265219;CC=C(F)CC(N)C=CF;ZBRAPGVXCHXULO-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265220;MM265220;CC=CC(N)CC(F)=CF;DJIVJDUYCSQLDI-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265221;MM265221;CC(C=O)=NNCC(C)O;UQXKSIGWZXEERF-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265222;MM265222;CC=CC(O)CC(C)=CF;SXGODSQPHVZPOI-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265223;MM265223;CC=CC(O)CC(F)=CC;ZFGMDAGIMAKVMN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265224;MM265224;CC=CC(O)CC(F)=CF;LUQNHPLDKPPNQD-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265225;MM265225;CC=CC(F)CC(C)=CC;FUKJEOGJPVQXIS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265226;MM265226;CC(=CF)CC(C)C=NO;ZRCXJFSQFALKPY-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265227;MM265227;CC=C(C)CC(N)C=NO;HGJJQAPVBRNZAK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265228;MM265228;CC=CC(N)CC(C)=NO;JBKYFCCMWOCALB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265229;MM265229;CC=CC(O)CC(C)=NO;LDOWDOTXRXIUKD-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265230;MM265230;CC(CC(C)C=NN)=NN;MCVAGDYQSGPJDJ-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265231;MM265231;CN(CC(N)=O)C(=N)C#N;JVJPEVHKNFYRKM-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265232;MM265232;NC(=O)CCON=CNO;NYFOCIITSLQZJK-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265233;MM265233;CC(CC(C)C=NO)=NO;HHCUYEDRCUXKAI-UHFFFAOYSA-N;144.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265234;MM265234;CC(CC(O)C=NN)=NO;HLUDYFPAAUHUEB-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265235;MM265235;CC=CC(C)NC(C)=NC;IQXQYFGHZKHSQJ-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265236;MM265236;CC=CC(C)N=C(C)NN;WNFIDYBNSUWBSE-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265237;MM265237;CC=CC(C)OC(C)=CC;SEIFFHZKFBNYBW-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265238;MM265238;CC=CC(C)OC(C)=CF;QKBAXNATBSCWBI-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265239;MM265239;CC=C(C)CN(C)C=NC;XKLFCGQUUFADIU-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265240;MM265240;CC=C(C)CN(C)C=NN;FQHIHIOZFKFSIE-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265241;MM265241;CC(O)CNN=CCCF;REGRMDIQUFRUGG-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265242;MM265242;CN=CN(C)CC(C)=CF;DSBDYJKXWRXMAK-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265243;MM265243;C=CCC=NNCC(C)O;ZFGJGQFXHQXZAB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265244;MM265244;CC=C(C)CN(N)C=NC;NHISGTYMWDJQOU-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265245;MM265245;C#CCC=NNCC(C)O;NIVGEDDKVMEASK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265246;MM265246;CC(O)CNN=CC=CF;FOPPQCDUPNMTIT-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265247;MM265247;CC(C=NOC=O)NC=O;QZOGZXVXFLKNQB-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265248;MM265248;C#CCC(=O)C=NOCC;YBPOJNUKOBVOIE-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265249;MM265249;COCC=NN(C)C(N)=O;DLICCOMBOOAJCV-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265250;MM265250;ON=CN(O)CC(F)=CF;FLMWCHOJXWSWJY-UHFFFAOYSA-N;152.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265251;MM265251;CCCC(=O)N(N)C(N)=O;YZBBOMYQEFTLLP-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265252;MM265252;CN=CN(N)CC(C)=NN;HHEFESXACAJNOY-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265253;MM265253;CC(=CCO)N(N)C(N)=O;OASPGOMGZYOAKX-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265254;MM265254;CC(CN(O)C=NN)=NO;VFVDDACJCVJXFZ-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265255;MM265255;CC(CN(O)C=NO)=NO;MDLKOHSXQDMHFA-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265256;MM265256;CN=C(C)NN(C)C=NO;WLIPQXRZCMTTFB-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265257;MM265257;CN=CN(C)NC(C)=NO;WUGKYPXUORTQME-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265258;MM265258;CC=NN(CCO)CCO;LKGIJKOWTALSJM-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265259;MM265259;CN=C(C#N)NCC(N)=O;XFSKDHJBHKYHFK-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265260;MM265260;CN(C)N=CC(C=O)CO;WHHAOEAGQICAAS-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265261;MM265261;CC(=NN)ON(C)C=NO;YCVANCNEGSJKKI-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265262;MM265262;C=C(C=CC)CC(C)=CC;PPJLKENDMIGWSV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265263;MM265263;C=C(C=CC)CC(C)=CF;DWSWILYFXHDIAX-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265264;MM265264;C=C(C=CC)CC(F)=CC;AKQIIFKIAUUXAH-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265265;MM265265;C=C(C=CC)CC(F)=CF;RMYKDUDDDUXCIB-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265266;MM265266;CC=CC(=O)CC(C)=CC;KCUREPXFXQPVJH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265267;MM265267;CC=C(C)CC(=O)C=CN;YOCFCCWRYWEGNZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265268;MM265268;CC=C(C)CC(=O)C=CF;PQVBIKXFPCCYLA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265269;MM265269;CC=CC(=O)CC(C)=CF;VUBICPHMSGLYKX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265270;MM265270;CC(=CF)CC(=O)C=CF;MPPZOHNSUJFSRD-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265271;MM265271;CC=CC(=O)CC(F)=CC;ALUCOXHKJZGGRC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265272;MM265272;CC=C(F)CC(=O)C=CN;WKNWNSQPUAWMAW-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265273;MM265273;CC=C(F)CC(=O)C=CF;GNPOEUQWKBAMNU-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265274;MM265274;CC=CC(=O)CC(F)=CF;LVVXUZMSYINZBT-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265275;MM265275;O=C(C=CF)CC(F)=CF;LVXMKQGNFBVZAM-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265276;MM265276;C=C(C=CC)CC(C)=NN;IMHOXZPYQPWCBZ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265277;MM265277;C=C(C=CF)CC(C)=NN;WNBGFYICZDRAFV-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265278;MM265278;C=C(C=CC)CC(C)=NO;YQBKOSPGRFVQBD-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265279;MM265279;CC=CC(=O)CC(C)=NO;NLOOZTKKAYDFDS-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265280;MM265280;CC=C(C)NC(=N)C=CN;IOCVSMUYPZMHCS-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265281;MM265281;CC(=CF)NC(=N)C=CN;AYAUVHGOOABVCS-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265282;MM265282;CC=C(C)NC(=O)C=CN;YGUXZUUWCUWRME-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265283;MM265283;CC(=CF)NC(=O)C=CN;BAFVQUDNYSMUMH-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265284;MM265284;C=C(C=CC)NC(C)=NC;MEOLNWXOOAIODQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265285;MM265285;C=C(C=CC)N=C(C)NN;IJLTZPNMFOUHDF-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265286;MM265286;CC=CC(=N)NC(C)=NC;GYCLNHTXIZXDDJ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265287;MM265287;CN=C(C)NC(=N)C=CN;OINGJUDPPGYIQZ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265288;MM265288;CN=CN=NC=C(C)NO;WNQALBDMENZBTB-UHFFFAOYSA-N;142.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265289;MM265289;CC=CC(=O)NC(C)=NN;BIBBVOGOYXQUQO-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265290;MM265290;CC(=NN)NC(=O)C=CF;DQLUHAXCAZPTJY-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265291;MM265291;C=C(C=NO)NC(C)=NC;JZTBJHRWXYNASI-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265292;MM265292;N#CC(CNC=O)=C(N)N;JTFWBVSOAZTTAU-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265293;MM265293;CCNN=CC(C=O)CO;BEGOBDZJUABMDX-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265294;MM265294;NC=NN=CC(C=O)CO;ZIRIHYRUWAPXAJ-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265295;MM265295;O=CON=CC(C=O)CO;PAMCJLHVTAFDQZ-UHFFFAOYSA-N;145.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265296;MM265296;C#CCc1cc(NN)n[nH]1;WRHKVOXKHCALHM-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265297;MM265297;CC(=NO)NC(=N)C=NO;UNSMCZHVSRHLEJ-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265298;MM265298;CCCN1CC1C(=O)CF;OYRJAJJXFRVFKL-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265299;MM265299;CN=C(C)NC(=O)C=NO;LDWWXGXRENAQIS-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265300;MM265300;CC(=NN)NC(=O)C=NN;OCCFXQFFQHDPLI-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265301;MM265301;CC(=NN)NC(=O)C=NO;NZUKWJFNFDYLRH-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265302;MM265302;CC(=NO)NC(=O)C=NN;DNNZOKUYPQSZNZ-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265303;MM265303;CC(=NO)NC(=O)C=NO;UUGGJAROPWPUQY-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265304;MM265304;C=C(C=CC)OC(C)=CF;RDAPYIRPXHSGNY-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265305;MM265305;O=CC(C=NN1CC1)CO;TUFWALSXBHUJMI-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265306;MM265306;CN(O)C=NC=NN;HBASRLKRLPIUQM-UHFFFAOYSA-N;116.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265307;MM265307;NC(=O)N(N)CCF;YEDIAANQPPLOAU-UHFFFAOYSA-N;121.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265308;MM265308;CCC(=N)N=CN(C)O;HLGFREZKWLNDSQ-UHFFFAOYSA-N;129.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265309;MM265309;C=C(C=NO)OC(C)=NN;MDKUTLIZYUXZMW-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265310;MM265310;CC#CC(C)CC(C)=CC;XKPODHRQOSAGTB-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265311;MM265311;CC#CC(C)CC(C)=CF;UBKGXTVTRKOJJQ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265312;MM265312;CC#CC(C)CC(F)=CF;UYXLCZXPFLVQFW-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265313;MM265313;CC#CC(N)CC(C)=CC;WPJOHCZXRLHRFN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265314;MM265314;CC#CC(O)CC(C)=CC;FSUREBVYEKEXBX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265315;MM265315;CC#CC(O)CC(F)=CF;VVWMLWCODOLTTI-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265316;MM265316;CC#CC(F)CC(F)=CC;QJFHJOPEGCGHBH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265317;MM265317;CC#CC(C)CC(C)=NN;WGGRXNDNPMOAMG-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265318;MM265318;CC#CC(C)CC(C)=NO;SBJPCSFZIUUXIB-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265319;MM265319;CN(O)C=NC(=N)C=O;ZEMJPIBSKIMPQH-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265320;MM265320;CC#CC(F)CC(C)=NN;UGQLEJLKCJVTOM-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265321;MM265321;CC#CC(F)CC(C)=NO;FZGMADYZKPJFOK-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265322;MM265322;CC#CC(C)NC(C)=NC;JHENIHLJCFXAQF-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265323;MM265323;CC#CC(C)OC(C)=CC;FZJYAWDZVFNSCG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265324;MM265324;CC#CC(C)OC(C)=CF;YWCTUXZBODOWTD-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265325;MM265325;CC(N=CN(C)O)=NN;NIOHJTGAPFCDQG-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265326;MM265326;C=C(C#CC)CC(C)=CC;MELBAFRTNRCTMB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265327;MM265327;C=C(C#CC)CC(C)=CF;HAMPQTIGAIVBER-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265328;MM265328;C=C(C#CC)CC(F)=CC;QNEWSVYFIIHLGO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265329;MM265329;C=C(C#CC)CC(F)=CF;CZYUEWMMFPENAP-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265330;MM265330;CC#CC(=O)CC(C)=CC;MGEIERGCSXFNAT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265331;MM265331;CC#CC(=O)CC(C)=CF;ISWXOXDKAJTSTQ-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265332;MM265332;CC#CC(=O)CC(F)=CC;FTYIYKIKYHOHGI-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265333;MM265333;CC#CC(=O)CC(F)=CF;MFBNYAZDNMPOSW-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265334;MM265334;C=C(C#CC)CC(C)=NN;GSIJDICJSDIZMO-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265335;MM265335;C=C(C#CC)CC(C)=NO;KAKBXNRLQVSDMM-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265336;MM265336;CC#CC(=O)NC(C)=CC;JDKRLYHQTJFXCT-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265337;MM265337;C=C(C#CC)NC(C)=NC;XODUCFYOZPHHCS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265338;MM265338;C=C(C#CC)N=C(C)NN;VFMQFNJZBGPQIB-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265339;MM265339;CC#CC(=N)NC(C)=NC;ALQMPCJTLDIGIX-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265340;MM265340;CCc1cc(CC)[nH]n1;UFLLSVUGUWBXJA-UHFFFAOYSA-N;124.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265341;MM265341;C=C(C#CC)OC(C)=CC;RTNGEFLHAWZUIE-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265342;MM265342;CC#CC(=O)OC(C)=CC;CHQOPXWNAATXJI-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265343;MM265343;C#CC1NC1C(=O)CF;HUDMOLUOPJVMGF-UHFFFAOYSA-N;127.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265344;MM265344;CCC=C(C)CC(C)CC;KOBDHZQPGXDRPG-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265345;MM265345;CCC(C)CC(C)=CCO;AHNTTYYUDJJKQK-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265346;MM265346;CCC=C(C)CC(C)CN;CKKDUZZJMDLROE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265347;MM265347;CC(=CCN)CC(C)CN;MXAGGILGZCDJIO-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265348;MM265348;CC(=CCF)CC(C)CN;BAWWCAMHZMHKIX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265349;MM265349;OCCCON=CNO;NRLHYVAMCLIXTQ-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265350;MM265350;CC(C)N=CN=CN(C)O;LHAIWCVQHKBBFB-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265351;MM265351;CCC=C(C)CC(C)CF;GNSHQUXIMRGWJU-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265352;MM265352;CC(=CCN)CC(C)CF;UEOXTYNKTFJEBA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265353;MM265353;CC(=CCO)CC(C)CF;SWXVTXOYHDYUGH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265354;MM265354;CCC=C(C)CC(N)CC;YHYKCKLYAHLYAL-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265355;MM265355;CCC(N)CC(C)=CCN;UETUQIZFMOHTKT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265356;MM265356;CCC=C(C)CC(N)CN;SHSBOFIJVYHSOZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265357;MM265357;CC(=CCO)CC(N)CN;POPGZOUDRFDKQN-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265358;MM265358;CC(=CCF)CC(N)CN;UELJPWNYRVXGEK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265359;MM265359;CCC=C(C)CC(N)CO;MFIPOVNZRMWEON-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265360;MM265360;CCC=C(C)CC(N)CF;PTRPFWODUBQYKR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265361;MM265361;CC(=CCN)CC(N)CF;DFZWOEBYVPZBOC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265362;MM265362;CC(=CCF)CC(N)CF;KEWMQFQPULZYMC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265363;MM265363;CCC(O)CC(C)=CCN;ZHRYAOVKHQPBCM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265364;MM265364;CC(=O)N=CN=CN(C)O;IMUUROVCHJTMRL-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265365;MM265365;CCC=C(C)CC(O)CO;AYMYAYBBKHBWNP-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265366;MM265366;CC(=CCN)CC(O)CF;VSEUYCWPLJBBBT-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265367;MM265367;CC(=CCO)CC(O)CF;DGGOWCSIHUPBTI-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265368;MM265368;CC(=CCF)CC(O)CF;PJDRSGWJRYHKIS-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265369;MM265369;CC(=CCN)CC(F)CN;ODYFVRYENBBTER-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265370;MM265370;CC(=CCF)CC(F)CN;KHEXOQLUIPMWRY-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265371;MM265371;CC(=CCN)CC(F)CF;LEMQYCXLKMESKN-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265372;MM265372;CC(=CCF)CC(F)CF;FLGPLUTYWJCBIN-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265373;MM265373;CCC=C(F)CC(C)CC;GLFCWMPXPZIJEA-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265374;MM265374;CC(CN)CC(F)=CCF;UZFRAHHBKJBAKV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265375;MM265375;CCC=C(F)CC(C)CO;KQXIFJCYIMYIPX-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265376;MM265376;CC(CO)CC(F)=CCO;JJONIOODLNEYMW-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265377;MM265377;CCC=C(F)CC(C)CF;FDTKJYMFCHYEBV-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265378;MM265378;CC(CF)CC(F)=CCN;CCRNNEGOZDKFNM-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265379;MM265379;CCC=C(F)CC(N)CC;YAGIVOJCQONWEC-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265380;MM265380;NCC(N)CC(F)=CCO;PLWCGCRMIUTEMV-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265381;MM265381;NCC(N)CC(F)=CCF;SMJUTLIPBWVLTP-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265382;MM265382;NC(CO)CC(F)=CCO;SFQVZOGPWKUHLI-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265383;MM265383;NCC=C(F)CC(N)CF;RUZHCNPYBLVAIR-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265384;MM265384;NC(CF)CC(F)=CCO;NAQJAQZGHNTRBQ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265385;MM265385;NC(CF)CC(F)=CCF;MWHKODLUIQPENV-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265386;MM265386;CCC(O)CC(F)=CCO;OYSWGSPJMNMUBJ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265387;MM265387;OCC=C(F)CC(O)CO;YFJYEXCMCOTFTE-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265388;MM265388;NCC=C(F)CC(O)CF;CKGGMSQOAKYTDJ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265389;MM265389;CCC(F)CC(F)=CCN;BZWQJAZMCGLDAR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265390;MM265390;NCC=C(F)CC(F)CN;YKAYBCLWDNACCY-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265391;MM265391;NCC(F)CC(F)=CCF;WRBHIXITQKLQLN-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265392;MM265392;COC=C(C)CC(C)CN;QXRUEXKMJWDOSA-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265393;MM265393;COCC(=N)N=CN(C)O;LHOBDDKYFZQDGS-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265394;MM265394;CCC(N)CC(C)=COC;LTHXTVRDMLSDQS-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265395;MM265395;COC=C(C)CC(N)CN;HLEAFMYTTSFPNN-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265396;MM265396;COC=C(C)CC(N)CF;YITBUJMQWNHWCJ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265397;MM265397;CCC(O)CC(C)=COC;ZTRHTXYTDZGDGG-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265398;MM265398;COC=C(C)CC(O)CF;CROJLYLZARKSFL-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265399;MM265399;COC=C(C)CC(F)CN;PSKRXYMHJOFTSB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265400;MM265400;COC=C(C)CC(F)CO;OBDXSHXJLQDYDP-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265401;MM265401;COC=C(F)CC(C)CN;UYRKNBBEBVFMCD-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265402;MM265402;COC=C(F)CC(C)CO;OLTQBFXMICZZKW-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265403;MM265403;CCC(N)CC(F)=COC;CMDOPTYHOGKROS-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265404;MM265404;COC=C(F)CC(N)CN;HJGLVXHNPSJVQO-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265405;MM265405;COC=C(F)CC(N)CO;JXNSOMAXULFISV-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265406;MM265406;COC=C(F)CC(N)CF;DZOCLZPTPSCYBN-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265407;MM265407;CCC(O)CC(F)=COC;ZNICOAQTNYEOMT-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265408;MM265408;COC=C(F)CC(O)CN;YKLVIORSYCATQE-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265409;MM265409;COC=C(F)CC(O)CO;OLQDODJEMSPDGC-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265410;MM265410;COC=C(F)CC(O)CF;QWFTZHBMNKAPAS-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265411;MM265411;COC=C(F)CC(F)CN;PADKMJRJVWRMSP-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265412;MM265412;COC=C(F)CC(F)CO;VKFHKAMVBWDWTJ-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265413;MM265413;CCC=C(C)CC(C)NC;ZKTZFXINTZTBTI-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265414;MM265414;CNC(C)CC(C)=CCN;JZORJFKKGMNOQB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265415;MM265415;CNC(C)CC(C)=CCF;WWORJZJVZLLWJW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265416;MM265416;CCC=C(F)CC(C)NC;ZEUPMTLREGINGX-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265417;MM265417;CNC(C)CC(F)=CCF;DEJLOJFLUKMENO-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265418;MM265418;CNC(C)CC(F)=COC;VTZRWAWOWQMBBQ-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265419;MM265419;CCC=C(C)CC(C)OC;NDJSCHJVKDAMRN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265420;MM265420;COC(C)CC(F)=CCO;OIVSQGXNSQKPSJ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265421;MM265421;COC=C(F)CC(C)OC;ZDRSEFHZBNDOCJ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265422;MM265422;CNN=C(C)CC(N)CN;WGMOTQOUAYELHB-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265423;MM265423;CNN=C(C)CC(N)CO;LJFMVPGEHQXDPQ-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265424;MM265424;CNN=C(C)CC(N)CF;OJYKGIUQODRMOW-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265425;MM265425;CNN=C(C)CC(O)CN;PYXGHTBUZQMKOH-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265426;MM265426;C=CCC(=N)N=CN(C)O;WNJVKQYVRAPYKN-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265427;MM265427;C#CCC(=N)N=CN(C)O;YYGWDPPDMWLLLH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265428;MM265428;CCC(F)CC(C)=NNC;QOUAPONHXVOGBF-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265429;MM265429;CN(O)C=NC(=N)C=CN;DDBMTZAYIMEXIU-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265430;MM265430;CCC(C)CC(C)=NOC;OIKBEFDVRHXSNL-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265431;MM265431;CON=C(C)CC(C)CN;XIXQERDJKIRWHA-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265432;MM265432;CN(O)C=NC(=N)C=NN;ZGXPXOXVCUVAGI-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265433;MM265433;CCC(N)CC(C)=NOC;HQVNMZYLMMVGEU-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265434;MM265434;CON=C(C)CC(N)CN;SHCIFNFLDNTDKG-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265435;MM265435;CON=C(C)CC(N)CF;FIMOVWVIPWQTMK-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265436;MM265436;CCN=C(C)N=CN(C)O;VRLXZUBIQUIHFQ-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265437;MM265437;CC(N=CN(C)O)=NC=O;ALFHZJSKZTWCQN-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265438;MM265438;CCC(F)CC(C)=NOC;ZXMHBUMVJUDHOF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265439;MM265439;CON=C(C)CC(F)CN;XMDBMWBUOWGXDI-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265440;MM265440;CON=C(C)CC(F)CF;HQVWEHFLZRSEOJ-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265441;MM265441;CON=C(C)CC(C)OC;MKRUVKKAEVSWSF-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265442;MM265442;CCN=C(C)NC(C)CN;UBXWDEPPWNUKHK-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265443;MM265443;CCC=C(C)OC(C)CC;QFYWKOSTTBHCOF-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265444;MM265444;CCC(C)OC(C)=CCN;OCGGNWJBHHYSQQ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265445;MM265445;CC(=CCN)OC(C)CN;UPTVUEBFCMTIKF-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265446;MM265446;CCC(C)OC(C)=COC;RFEVOBQRBXACNL-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265447;MM265447;COC=C(C)OC(C)CN;FWSBDZPYILAXMP-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265448;MM265448;COC=C(C)OC(C)CO;ULNJPNPSHXQBGB-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265449;MM265449;COC=C(C)OC(C)OC;MVPOHCKBOSLWCE-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265450;MM265450;C=NN=C(C)N=CN(C)O;VANRJJQCCHEECV-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265451;MM265451;CCC(C)OC(C)=NOC;OECNLTQVXVSCEC-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265452;MM265452;CCC=C(C)CN(C)CC;ZEMQRDIJOGDJDJ-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265453;MM265453;CCN(C)CC(C)=CCN;NNPXEQUYBKPQQH-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265454;MM265454;CCN(C)CC(C)=CCF;JWAOJIUDNWNOSM-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265455;MM265455;C=CC=C(C)CC(C)CC;YCCPTCARYXSVDW-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265456;MM265456;CCC(C)CC(C)=CC#N;UBBWSSALDNAORF-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265457;MM265457;C=C(F)C(=N)N=CN(C)O;SVCSOQYPHZCRCN-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265458;MM265458;CN(O)C=NC=C(F)C#N;JPCLFTWJFGQVRR-UHFFFAOYSA-N;143.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265459;MM265459;C=CC=C(C)CC(C)CF;NRELJHWMUSPLCL-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265460;MM265460;CC(=CC=O)CC(C)CF;YFRONILVCUTWQP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265461;MM265461;CC(=CC#N)CC(C)CF;UZLCDHBOSXYUEK-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265462;MM265462;C=CC=C(C)CC(N)CC;SKOMBUYSOLDWKN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265463;MM265463;C=CC=C(C)CC(N)CN;CFCHETHKFOHSQJ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265464;MM265464;C=CC=C(C)CC(N)CF;DRKVIBKCEGAGNX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265465;MM265465;CC(O)CN(C)N(C)C=O;ASNJQMBNYUZOMI-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265466;MM265466;CCNN=CN=CN(C)O;ZAKWFPJTWWJUIG-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265467;MM265467;C=CC=C(C)CC(O)CO;CPXRPNREHRATLZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265468;MM265468;C=CC=C(C)CC(F)CC;FLPDZIMPPVSXKE-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265469;MM265469;C=CC=C(C)CC(F)CN;WJBUEJZBKNDLJO-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265470;MM265470;C=CC=C(C)CC(F)CF;QHDADFHYHJAQSB-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265471;MM265471;CC(=CC=O)CC(F)CF;JEBLIUOUNSHUNS-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265472;MM265472;CCC(C)CC(N)=CC=O;FCLUYXTXXBXPMA-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265473;MM265473;CCC(C)CC(N)=CC#N;XFVHKFCZTPNJQI-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265474;MM265474;CC(CO)CC(N)=CC=O;BWNMLZGYIDSMAE-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265475;MM265475;CC(CF)CC(N)=CC=O;AVCGGCIPYOYAPH-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265476;MM265476;CCC(O)CC(N)=CC=O;SQNZHSFQBLVNDS-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265477;MM265477;CC=NN=CN=CN(C)O;TXZIDXXSWZJFNE-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265478;MM265478;CON=C(C(N)=O)N(C)C;RRQGNPYQXXSTEK-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265479;MM265479;C#CC(C=O)N=CN(C)O;STVNAQXHQUSEMF-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265480;MM265480;CCC(C)CC(F)=CC#N;YXSMZLJGVMGZRW-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265481;MM265481;CC(CO)CC(F)=CC=O;JIVMVOYEOJEQPJ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265482;MM265482;CC(CO)CC(F)=CC#N;UWHURPNUIXKZRD-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265483;MM265483;C=CC=C(F)CC(N)CF;YHBAOIAKSIYEFJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265484;MM265484;C=CC=C(F)CC(O)CO;AEZJNCXBXGTIQT-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265485;MM265485;O=CC=C(F)CC(O)CO;RQEYUTNRMYJDJV-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265486;MM265486;N#CC=C(F)CC(O)CO;KKYLHGKPGYWVBU-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265487;MM265487;C=CC=C(F)CC(O)CF;OMMSXEDOWJHZQN-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265488;MM265488;N#CC=C(F)CC(F)CF;IJJHXZXBUQKYKB-UHFFFAOYSA-N;149.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265489;MM265489;C=CC=C(C)CC(C)NC;LZPAGPUWFXPQRH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265490;MM265490;CNC(C)CC(C)=CC=O;KCDXZWMOZVRVJY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265491;MM265491;CNC(C)CC(C)=CC#N;OPSKRXKUUCFNPQ-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265492;MM265492;CNC(C)CC(N)=CC=O;CBUCAXJCZWTZQP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265493;MM265493;CNC(C)CC(F)=CC#N;LAEGXEPRYADWAG-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265494;MM265494;COC(C)CC(C)=CC=O;IFKNCRMELCWOAV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265495;MM265495;COC(C)CC(F)=CC#N;LVYKORDITOJRPU-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265496;MM265496;C=NN=C(C)CC(C)CC;GFCMMJMVYLFWPG-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265497;MM265497;C=NN=C(C)CC(C)CN;UVXVERSCBUDHRH-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265498;MM265498;C=NN=C(C)CC(C)CO;CGNJLVGCXUJEBZ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265499;MM265499;C=NN=C(C)CC(N)CC;QLQSQAFMERZESK-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265500;MM265500;C=NN=C(C)CC(N)CN;OJJCVQYPQJBTMW-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265501;MM265501;C=NN=C(C)CC(N)CO;HEBZBVZHEIZLHX-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265502;MM265502;C=NN=C(C)CC(N)CF;OJGISBPGKFQNPV-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265503;MM265503;C=NN=C(C)CC(O)CC;GACOBKNRPBRDTD-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265504;MM265504;C=NN=C(C)CC(O)CN;JSDAQTPZOJZLGG-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265505;MM265505;C=NN=C(C)CC(O)CF;YQGWIJXBXKUTAQ-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265506;MM265506;C=NN=C(C)CC(F)CN;OVPXIMSFDKCNJC-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265507;MM265507;C=NN=C(C)CC(F)CO;GSYLLBQLJGGNJB-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265508;MM265508;C=NN=C(C)CC(C)OC;NSXWPPVSURSDBD-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265509;MM265509;CCC(C)NC(C)=CC=O;RBGWZMIJUODBAC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265510;MM265510;CCC(C)NC(C)=CC#N;BTJLSRFBPXAUHG-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265511;MM265511;CC(=CC=O)NC(C)CO;GRVZKSZBCVBYIG-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265512;MM265512;CC(CF)NC(N)=CC=O;LXWPUQWAHIAQMZ-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265513;MM265513;CCC(N=CN(C)O)=NC;UDHJWFJWXRXWDL-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265514;MM265514;CN=C(CF)N=CN(C)O;QIXDHLWHZOZBOT-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265515;MM265515;C=CC=C(C)OC(C)CC;XAFAQKYIZUQNIW-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265516;MM265516;CCC(C)OC(C)=CC#N;PCNWHPDJKFZHBY-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265517;MM265517;CC(=CC=O)OC(C)CF;QKJHBCHAEUAGGU-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265518;MM265518;CCC(C)OC(N)=CC#N;RSMDMKMSLHXZNT-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265519;MM265519;CC(CF)OC(N)=CC=O;KBBBOGQYQMAHHM-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265520;MM265520;C=CC=C(C)OC(C)OC;GBTZUZPMYPUDLX-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265521;MM265521;C=NN=C(C)OC(C)CN;BVWUNJYVBLAJNZ-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265522;MM265522;C=NN=C(C)OC(C)CO;RMARGROVOXVSBI-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265523;MM265523;C=NN=C(C)OC(C)OC;MWMJCPIKQZYHEI-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265524;MM265524;C=CC=C(C)CN(C)CC;OTPOWMLNRNAQHN-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265525;MM265525;CCN(C)CC(C)=CC=O;WTECDBSABRMBSA-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265526;MM265526;CCN(C)CC(F)=CC#N;LXSAIQQUKZNHTB-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265527;MM265527;C#CC=C(C)CC(C)CC;VVXNLOSJHDTFPG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265528;MM265528;C#CC=C(C)CC(C)CN;GINGUFXEDJKSDW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265529;MM265529;C=CC(N=CN(C)O)=NN;TTYGWCUQHDOSCE-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265530;MM265530;C#CC=C(C)CC(C)CF;OGTOYDRPWSGCOD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265531;MM265531;C#CC=C(C)CC(N)CC;INZFGICSVSLBNV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265532;MM265532;C#CC=C(C)CC(N)CN;MIKJKPGQNSLJHS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265533;MM265533;C#CC=C(C)CC(N)CO;JCVCVXMTWGJLIW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265534;MM265534;C#CC=C(C)CC(N)CF;IQYHEXQOHHJNQO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265535;MM265535;C#CC(N=CN(C)O)=NC;HDMPPLGZYAHRGX-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265536;MM265536;C#CC=C(C)CC(O)CN;SPLKXUYNBJNXSP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265537;MM265537;C#CC=C(C)CC(O)CO;NPUOXUMINGTEBE-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265538;MM265538;C#CC=C(C)CC(O)CF;AUZMTZIGWFTKFF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265539;MM265539;C#CC=C(C)CC(F)CC;PXJGOHCZVBQKHA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265540;MM265540;C#CC=C(C)CC(F)CO;HYUBOMNXFZBVAW-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265541;MM265541;C#CC=C(C)CC(F)CF;RIJHGJYXWHQCGH-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265542;MM265542;C#CC=C(F)CC(C)CC;NANVDFNGRNCTSJ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265543;MM265543;C#CC=C(F)CC(C)CO;TVFYINSHGUXCKB-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265544;MM265544;C#CC=C(F)CC(N)CC;WPNWCUVJSKZEAV-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265545;MM265545;C#CC=C(F)CC(N)CF;YJWSUOMBLFYWOS-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265546;MM265546;C#CC=C(F)CC(O)CC;KGHFMOZBGKQOLG-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265547;MM265547;C#CC=C(F)CC(O)CF;BAZHGSIUKXSADQ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265548;MM265548;C#CC=C(C)CC(C)NC;PWXZYGBSQMUWAD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265549;MM265549;C#CC=C(F)CC(C)NC;AGOBEDUMQLEUTP-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265550;MM265550;C#CC=C(C)CC(C)OC;AVHUGZVBBWNQQR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265551;MM265551;C#CC=C(F)CC(C)OC;SYQIYDBTRNDFBU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265552;MM265552;C#CC=C(C)OC(C)CC;WLAZKTALIPBMTC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265553;MM265553;C#CC=C(C)OC(C)CN;JPEUEZIWFJFCHU-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265554;MM265554;C#CC=C(C)OC(C)CO;RMRNNUWGCUXZAT-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265555;MM265555;C#CC=C(C)OC(C)CF;KXXSHVSNEMKWBP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265556;MM265556;C#CC=C(C)OC(C)OC;DEPUQOGTNJQMGV-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265557;MM265557;C#CC=C(C)CN(C)CC;MHVOCJVHBAPTRD-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265558;MM265558;C=CC(C)CC(C)=CCC;GHQJDIQSUVNIQX-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265559;MM265559;C=CC(C)CC(C)=CCN;BUZZYAGVXYQFSE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265560;MM265560;CCC=C(C)CC(C)C=O;RUHOFKVMNTUDTD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265561;MM265561;CC(=CCO)CC(C)C#N;COALHOGWXPGSBN-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265562;MM265562;CC(=CCF)CC(C)C=O;LFZNJOBXZNKIBG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265563;MM265563;C=CC(N)CC(C)=CCC;QPTMYQUXEMEXFP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265564;MM265564;C=NN=CC(N)C(=O)NC;OSISQGFOOOFFAV-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265565;MM265565;CCC=C(C)CC(O)C=O;GNKNCHRIRJBZOJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265566;MM265566;CCC=C(C)CC(O)C#N;SJQOLTDXYPBURW-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265567;MM265567;CC(=CCO)CC(O)C#N;AOTFYXFYADWNHN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265568;MM265568;CC(=CCF)CC(O)C=O;HRNIUKDPOWDLOS-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265569;MM265569;CC(=CCF)CC(O)C#N;PMHKMLAHBCSRQW-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265570;MM265570;C=CC(F)CC(C)=CCC;PAFZRZIULQNNQI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265571;MM265571;C=CC(F)CC(C)=CCO;JCSXGVIZFQCGEJ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265572;MM265572;CCC=C(C)CC(F)C#N;CMAXLYGSRMWRQW-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265573;MM265573;C=CC(C)CC(F)=CCN;BKUNFJCTNUNTEX-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265574;MM265574;CCC=C(F)CC(C)C#N;DOMNGNQUAFLGOG-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265575;MM265575;CC(C=O)CC(F)=CCF;PPGRUAIJUOSHPO-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265576;MM265576;C=CC(N)CC(F)=CCN;MIGDUYWAHKIXKJ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265577;MM265577;C=CC(O)CC(F)=CCF;FMHQGNKAMCNRLR-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265578;MM265578;N#CC(O)CC(F)=CCO;PVEWZHCKZNBOIO-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265579;MM265579;N#CC(O)CC(F)=CCF;POHAJZPVMQOAOI-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265580;MM265580;C=CC(F)CC(F)=CCO;UQHWXAFVBDXMHV-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265581;MM265581;COC=C(C)CC(C)C#N;MSAXXMVOTRHBNH-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265582;MM265582;C=CC(N)CC(C)=COC;KPLAOTTUAUJNHU-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265583;MM265583;COC=C(C)CC(O)C#N;FNBBTYQEYKVUGW-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265584;MM265584;COC=C(C)CC(F)C=O;ITXUGILTOMIZDI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265585;MM265585;COC=C(F)CC(C)C=O;OEUUAMDFXKSGEQ-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265586;MM265586;COC=C(F)CC(C)C#N;QHIXCUHPUGSUFV-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265587;MM265587;C=CC(N)CC(F)=COC;XQJQPJJNLARFQP-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265588;MM265588;C=CC(O)CC(F)=COC;VTLVQPKLAGGMAH-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265589;MM265589;COC=C(F)CC(F)C=O;VOGKAWSNVLGESG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265590;MM265590;C=CC(C)CC(C)=NNC;STVPIXPCOOXFRY-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265591;MM265591;C=CC(C)CC(C)=NOC;BNMHXIBDUFJQET-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265592;MM265592;C=NN=CN(CC=O)N=C;ZCGILAXNWUWXKU-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265593;MM265593;CON=C(C)CC(C)C#N;VHSSBTCSDSEJKN-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265594;MM265594;C=CC(N)CC(C)=NOC;DZYNYVOKHSBADT-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265595;MM265595;C=C(OC)N(C=N)C(N)=O;QZVZDYKRTOZBJI-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265596;MM265596;C=C(F)C(CO)C(C)=NN;PYHCYORZFOSNTH-UHFFFAOYSA-N;146.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265597;MM265597;CON=C(C)CC(F)C#N;HCFSPVNVLDPANW-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265598;MM265598;C=CC(C)NC(C)=NCC;MAKYEBVQHFXNGR-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265599;MM265599;CCN=C(C)NC(C)C#N;XPGDZODYURPGDB-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265600;MM265600;C=CC(C)NC(C)=NNC;SHZJWCIMEPFAFW-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265601;MM265601;CNN(C=CCO)C(N)=O;MWFQFQBMLYHSFI-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265602;MM265602;C=CC(C)OC(C)=CCC;LNEYFICKQPMZLM-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265603;MM265603;C=CC(C)OC(C)=CCN;MCWZDKHIIGPCCG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265604;MM265604;CCC=C(C)OC(C)C=O;FAVBUWROHZSBDN-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265605;MM265605;C=CC(C)OC(C)=COC;NXGLDWTVOIZCHO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265606;MM265606;COC=C(C)OC(C)C=O;WWIGZSSJOYNJCV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265607;MM265607;COC=C(C)OC(C)C#N;FLFURVJVYNKQGE-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265608;MM265608;CCC=C(C)CN(C)C=N;NKTXXNJACAOHHH-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265609;MM265609;CC(=CCO)CN(C)C=N;HXWAIUCDXLIDSG-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265610;MM265610;CCC=C(C)CN(C)C=O;NRWDDISLCIZQEX-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265611;MM265611;CC(=CCO)CN(C)C=O;LJFBBGASQSMBHK-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265612;MM265612;CCC=C(C)CN(N)C=N;JEQRMEVVJLHTHI-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265613;MM265613;CC(=CCO)CN(N)C=N;VNEBATCBTRXTGR-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265614;MM265614;CCC=C(C)CN(N)C=O;FCCMBBYKXZLNNE-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265615;MM265615;C=Cc1n[nH]c(CF)c1C;PCHNRCUNAOKBIL-UHFFFAOYSA-N;140.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265616;MM265616;CCC=C(F)CN(C)C=N;LDHQXWPZAKEFFS-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265617;MM265617;CN(C=N)CC(F)=CCO;JLSICOTZWCGVLY-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265618;MM265618;CN(C=N)CC(F)=CCF;VFZHWFOWHSYJQU-UHFFFAOYSA-N;148.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265619;MM265619;CCC=C(F)CN(C)C=O;DULBTQZXHXFDKA-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265620;MM265620;CN(C=O)CC(F)=CCO;KKMPXMRPVHTWFF-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265621;MM265621;CCC=C(F)CN(N)C=N;KMXVTCDXHBGPPW-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265622;MM265622;N=CN(N)CC(F)=CCO;YJNPLPMUMWOLGO-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265623;MM265623;CCC=C(F)CN(N)C=O;ZIQJTZRLVXWGEJ-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265624;MM265624;NN(C=O)CC(F)=CCF;RICZSNYMODJIGF-UHFFFAOYSA-N;150.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265625;MM265625;N=CN(O)CC(F)=CCN;RRQULZSARZWANZ-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265626;MM265626;C=NN(C)CC(C)=CCC;XNQRLALDVCSHBH-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265627;MM265627;C=NN(C)CC(C)=CCF;KWHONWPVTXLACK-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265628;MM265628;C=NN(C)CC(F)=COC;BRDBTOPTGCZUER-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265629;MM265629;CNN=C(C)CN(C)C=O;YDUZRLMDXWPILV-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265630;MM265630;CNN=C(C)CN(N)C=N;BZAVBOWEBLAOHW-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265631;MM265631;CON=C(C)CN(C)C=N;GARQDQPWZZXKPR-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265632;MM265632;CON=C(C)CN(C)C=O;DDZIRZQZENVMHM-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265633;MM265633;CON=C(C)CN(N)C=N;VIEUPZJGYDQAPR-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265634;MM265634;C=NN(C)CC(C)=NNC;HPNHCBLRXHAGMC-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265635;MM265635;C=NN(C)CC(C)=NOC;VZLVXNHQFCWTSJ-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265636;MM265636;CCN=C(C)NN(C)C=N;XHEAJWLTCYHCAW-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265637;MM265637;CCN=C(C)NN(C)C=O;JEPBHMORYFQLOU-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265638;MM265638;CNN=C(C)NN(C)C=N;JNGRBYJWQVRUSN-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265639;MM265639;CON=C(C)NN(C)C=N;YXFBGRWRZVRCLO-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265640;MM265640;CC#CC1NC1C(=O)CF;XSVCLURCDLULFD-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265641;MM265641;CON=C(C)ON(C)C=O;CPQTVIPDBXXWGL-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265642;MM265642;C=CC=C(C)CC(C)C=C;GUCAXOWPDUUJKL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265643;MM265643;C=CC(C)CC(C)=CC#N;NFSHGTMMVYPURU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265644;MM265644;C=CC=C(C)CC(C)C=O;OMDWORMLKNQZFL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265645;MM265645;C=CC=C(C)CC(C)C#N;MSXHFVDFBFCJIR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265646;MM265646;CC(=CC=O)CC(C)C=O;ZRQCULVEQQLUEN-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265647;MM265647;CC(=CC=O)CC(C)C#N;MGWTUYYJRYYXBS-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265648;MM265648;CC(=CC#N)CC(C)C#N;QDGCVEBAKVFSIS-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265649;MM265649;C=CC=C(C)CC(N)C=C;POXDLOIMIYJQFL-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265650;MM265650;C#CCC(=O)C1C(C)N1C;VLDWFULDMYDORL-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265651;MM265651;C=CC=C(C)CC(O)C=O;PPVQMGNOOYDPQF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265652;MM265652;C=CC=C(C)CC(O)C#N;PGSJQZZZHBIOEN-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265653;MM265653;C=CC=C(C)CC(F)C=C;RBSQQQUNBLMAAP-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265654;MM265654;C=CC(F)CC(C)=CC#N;ARDMUZJNJUFDGT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265655;MM265655;C=CC=C(C)CC(F)C=O;UYXUIQRZWFQHSJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265656;MM265656;C=CC=C(C)CC(F)C#N;VRRMXSSJLWZWRH-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265657;MM265657;CC(=CC=O)CC(F)C#N;NDJQQOGOWFUSJE-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265658;MM265658;CC(=CC#N)CC(F)C=O;QSMWBTSGHOQWIU-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265659;MM265659;CC(=CC#N)CC(F)C#N;RZRMXAAYAHJITL-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265660;MM265660;C=CC(C)CC(N)=CC=O;IFSFMBKLODCVIO-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265661;MM265661;CC(C#N)CC(N)=CC#N;BEWNMPXKXYVQJE-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265662;MM265662;C=CC(O)CC(N)=CC=O;KUAGFUCPLMXGAU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265663;MM265663;CCc1cc[nH]n1;CBNLNXLAIMQSTR-UHFFFAOYSA-N;96.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265664;MM265664;C=CC(F)CC(N)=CC#N;CKIWDPGIGSHOHB-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265665;MM265665;C=CC=C(F)CC(C)C=C;DLBMDZLGFDIFEL-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265666;MM265666;C=CC=C(F)CC(C)C=O;UNKFUVQGSWWJAF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265667;MM265667;C=CC=C(F)CC(C)C#N;OMKBCKNSAHJNQR-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265668;MM265668;CC(C#N)CC(F)=CC#N;VORUHDGATXXTSF-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265669;MM265669;C=CC=C(F)CC(O)C=C;ATPBGCUHOLIPDT-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265670;MM265670;C=CC(O)CC(F)=CC=O;FUVYGZVXEDSPSH-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265671;MM265671;C=CC=C(F)CC(O)C#N;JIQWIHXBKKZJPZ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265672;MM265672;C=CC(F)CC(F)=CC#N;ADZMSZOPNGAGFK-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265673;MM265673;N#CC=C(F)CC(F)C#N;PJPYFIDEQZZNKY-UHFFFAOYSA-N;142.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265674;MM265674;C=CC(C)CC(C)=NN=C;BDZSPCQFGIYXTC-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265675;MM265675;N=Nc1c[nH]c(N)c1;HCNICBHISNEPNH-UHFFFAOYSA-N;110.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265676;MM265676;C=NN=C(C)CC(C)C#N;QUEBNCGYEDSDMF-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265677;MM265677;C=CC(N)CC(C)=NN=C;ZDNTUMPORLZFFV-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265678;MM265678;C=CC(O)CC(C)=NN=C;GFZJXKSBXWFQNV-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265679;MM265679;C=NN=C(C)CC(O)C#N;UZUIKJAVAJLZAI-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265680;MM265680;C=CC(F)CC(C)=NN=C;PWQFBMZENUPKNA-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265681;MM265681;C=NN=C(C)CC(F)C#N;ONWBMSUIHWUPLM-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265682;MM265682;C=CC(C)NC(C)=CC=O;MOAMRBNSBREAOJ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265683;MM265683;CC(=N)N=C(N)C(N)=O;LHHIWKPZDYKAJB-UHFFFAOYSA-N;128.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265684;MM265684;CC(C=O)NC(N)=CC=O;CPEDAWBJEIWBGN-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265685;MM265685;CC(O)CNN(C)C=O;QHWJGJBYFIZYTO-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265686;MM265686;CC(=NC(C)C=O)NC=O;YSJNMEPGUIRRSN-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265687;MM265687;CC(C=O)N=CN(C)O;MFEMHALKJWLBNJ-UHFFFAOYSA-N;130.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265688;MM265688;CC(O)CN(C=N)C=O;OVKTUPLEIWQRDH-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265689;MM265689;CN=CN=C(N)C(N)=O;PSZNARZBVWKZMQ-UHFFFAOYSA-N;128.14;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265690;MM265690;C=CC=C(C)OC(C)C=C;IVQVRULSZXAQPA-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265691;MM265691;C=CC(C)OC(C)=CC#N;WKSHDKWKWMTCHB-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265692;MM265692;C=CC=C(C)OC(C)C=O;UEEYCHQPQUUFRU-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265693;MM265693;CC(=CC=O)OC(C)C#N;FGGUMYZBZOJWRA-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265694;MM265694;C=CC(C)OC(N)=CC#N;FDXYMEQUSRCEGQ-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265695;MM265695;C=CC(C)OC(C)=NN=C;BMGNSELOJSTCTD-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265696;MM265696;C=NN=C(C)OC(C)C=O;OFRHRTDISZAHMG-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265697;MM265697;CC(=CC=O)CN(C)C=N;BTOFNJPTASUPTN-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265698;MM265698;C=CC=C(C)CN(N)C=O;AUWKMYSKQZZELP-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265699;MM265699;C=NNc1ccn(C)n1;DEPSIVQTHAOVFS-UHFFFAOYSA-N;124.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265700;MM265700;C=CC=C(F)CN(C)C=O;KPUDPGIWPQMXFE-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265701;MM265701;C=CC=C(C)CN(C)N=C;IEIQIITZHKDJBQ-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265702;MM265702;C=NN(C)CC(C)=CC#N;HSCWFBCLWHXECX-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265703;MM265703;C=NN(C)CC(N)=CC#N;WZFDYWCEXXJKSI-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265704;MM265704;C=NN(C)CC(F)=CC#N;NFUZCVRKCBLRKY-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265705;MM265705;C=NN=C(C)CN(C)C=O;RVSPRSKTZXUPDA-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265706;MM265706;C=NN=C(C)CN(N)C=N;NNTWTJCGAZOFGS-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265707;MM265707;C=NN=C(C)CN(C)N=C;DAEKWYMVGCCHTR-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265708;MM265708;CN(C=N)NC(N)=CC=O;VJKGLBRXSSFLSU-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265709;MM265709;CC(=NN(C)C=N)NC=N;PNFJJSJHBVKGKJ-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265710;MM265710;C#CC(=NN)C1CC1O;RDDDNLSXGFYAMC-UHFFFAOYSA-N;124.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265711;MM265711;CC(=NN(C)C=O)NC=O;WWBBNHAWTZJDSK-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265712;MM265712;C=NN=C(C)NN(C)C=N;UCYVOIJVODWQGY-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265713;MM265713;C#CC=C(C)CC(C)C=C;SUNHMCGUHAUBMC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265714;MM265714;C#CC=C(C)CC(C)C=O;SLUHAVDKWSESNJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265715;MM265715;C#CC=C(C)CC(C)C#N;MCXKPTDCJNFQKH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265716;MM265716;C#CC=C(C)CC(N)C=C;NHTOLABLOGPWTB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265717;MM265717;C#CC=C(C)CC(F)C=C;CTCKBMYGTANJHP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265718;MM265718;C#CC=C(C)CC(F)C=O;HMRYWQOOCYJBFZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265719;MM265719;C#CC=C(C)CC(F)C#N;IOYMVXRNSBIFQH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265720;MM265720;C#CC=C(F)CC(C)C#N;DQPGTMTYDKHVLN-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265721;MM265721;C#CC=C(F)CC(N)C=C;OIMUTQPKCFIPRS-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265722;MM265722;C#CC=C(F)CC(O)C#N;QHYLXKHKJKSHBF-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265723;MM265723;C#CC=C(F)CC(F)C=O;RWNHPOGKBLCRAS-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265724;MM265724;C#CC=C(C)OC(C)C=C;BNCSUVQREIEUGN-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265725;MM265725;C#CC=C(C)OC(C)C=O;IUHKUBMRRDXZLJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265726;MM265726;C#CC=C(C)OC(C)C#N;UYOXGZXKPPXSLM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265727;MM265727;C#CC=C(C)CN(N)C=N;UWSDGLIKCCSSLS-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265728;MM265728;C#CC=C(F)CN(C)C=N;GRYGGXPNPNBOTP-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265729;MM265729;C#CC=C(F)CN(C)C=O;LOVFUHCCKGQEBE-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265730;MM265730;C#CC=C(F)CN(N)C=N;RZXGELWOGLTAOG-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265731;MM265731;C#CC=C(C)CN(C)N=C;BDTDGUBBIXNXOR-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265732;MM265732;C#CC=C(F)CN(C)N=C;RMYIOKFTALMLEP-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265733;MM265733;C#CC(C)CC(C)=CCC;BTYWXTDDZRJMJH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265734;MM265734;C#CC(N)CC(C)=CCC;FBFVSEWUBRBQSX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265735;MM265735;C#CC(N)CC(C)=CCN;QTYJYCPQXOPTPQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265736;MM265736;C#CC(N)CC(C)=CCF;JWGWFQVMYNSWJF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265737;MM265737;C#CC(O)CC(C)=CCC;QIMVHLZMAZDPPW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265738;MM265738;C#CC(O)CC(C)=CCF;MSKLOUAOVRHNQH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265739;MM265739;C#CC(F)CC(C)=CCC;FGYCKYKOVPCYAD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265740;MM265740;C#CC(F)CC(C)=CCO;GGRYPSXSPOXPOH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265741;MM265741;C#CC(N)CC(F)=CCN;OLXGJWUUBWWFSK-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265742;MM265742;C#CC(N)CC(F)=CCO;FJVQKVVMFDLGAD-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265743;MM265743;C#CC(N)CC(F)=CCF;TXBRUFZIVLQFKA-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265744;MM265744;C#CC(O)CC(F)=CCC;BKEGUPZQEJBYMS-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265745;MM265745;C#CC(O)CC(F)=CCO;QSWARBPRXJJHDQ-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265746;MM265746;C#CC(O)CC(F)=CCF;JTPVCPURXWKIEY-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265747;MM265747;C#CC(F)CC(F)=CCO;YGHVDDPHSCQMJQ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265748;MM265748;C#CC(N)CC(C)=COC;PREYKNXRHBWFQG-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265749;MM265749;C#CC(O)CC(C)=COC;ONJGZOUNOUJDAZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265750;MM265750;C#CC(C)CC(F)=COC;COLJCSUXNHMIJI-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265751;MM265751;C#CC(N)CC(F)=COC;JBSWJFVYNHEBIN-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265752;MM265752;C#CC(O)CC(F)=COC;ROTFXIZIYWWKSC-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265753;MM265753;C#CC(F)CC(F)=COC;FQDMCFIQWXIZHW-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265754;MM265754;CCN1CC1C(=O)CF;DUWZGBDNPIOHLC-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265755;MM265755;C#CC(C)CC(C)=NOC;JXUDEUXIMNVKLA-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265756;MM265756;C#CC(F)CC(C)=NOC;KCYLKOQPVLBJTE-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265757;MM265757;C#CC(C)NC(C)=NCC;WTIRISBECWYSAP-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265758;MM265758;C#CC(C)NC(C)=NOC;OIPUAFPIQFDEOT-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265759;MM265759;C#CC(C)OC(C)=CCC;CEFHGVJCTJGBSK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265760;MM265760;C#CC(C)OC(C)=CCO;FFAFWXCGIGQZRQ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265761;MM265761;C#CC(C)OC(C)=COC;JQDYJQUBLMJHCN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265762;MM265762;C#CC(C)(C)N=CN(C)O;UHDVXWAUCFVNQQ-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265763;MM265763;C#CC(C)OC(C)=NOC;YFAVCEDMGBXMPE-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265764;MM265764;C#CC(N)CC(C)=CC=C;AQWKNKLQZXWNEL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265765;MM265765;C#CC(O)CC(C)=CC=C;NBJHUNMLXTVHCF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265766;MM265766;C#CC(F)CC(C)=CC=C;QCNQOXHBGWMPMQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265767;MM265767;C#CC(F)CC(C)=CC=O;HZKOIRAMLLXRPX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265768;MM265768;C#CC(F)CC(C)=CC#N;RZSWZCIIOVTFRJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265769;MM265769;CC#CC(C)N=CN(C)O;GWUIZXQBAXEHHA-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265770;MM265770;C#CC(F)CC(N)=CC=O;CSWUGUCEZOSVNW-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265771;MM265771;C#CC(F)CC(N)=CC#N;VMHIVZJFPITQME-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265772;MM265772;C#CC(C)CC(F)=CC=C;TWNIOQOGYAHMRN-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265773;MM265773;C#CC(N)CC(F)=CC=C;UBCIPWFUIULQHF-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265774;MM265774;C#CC(O)CC(F)=CC#N;MJIUAYPDRBSWCD-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265775;MM265775;C#CC(N)CC(C)=NN=C;WQOPRDUTXDEOGH-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265776;MM265776;C#CC(O)CC(C)=NN=C;JFHWSQYTDZZRCZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265777;MM265777;C#CC(F)CC(C)=NN=C;WRKVXULWJQQROR-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265778;MM265778;C#CC(C)N=C(C)NC=N;KEKABJNGHILLJY-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265779;MM265779;C#CC(C)N=C(C)NC=O;GDWMRNPCCKRWOY-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265780;MM265780;CC(O)CNNC(=N)C#N;GJDPGRSEYTVDQI-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265781;MM265781;C#CC(C)OC(C)=CC=C;BMIGDYRRXYADJO-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265782;MM265782;C#CC(C)OC(N)=CC#N;BHJWZKQKZHZCLK-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265783;MM265783;C#CC(C)OC(C)=NN=C;DCCWNFCDNVERFT-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265784;MM265784;C#CC=C(C)CC(C)C#C;OLPGBGXDCUFTRZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265785;MM265785;C#CC=C(C)CC(N)C#C;FURMFDFTFAASFQ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265786;MM265786;C#CC=C(C)CC(O)C#C;DJWJIWQSQNVBED-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265787;MM265787;C#CC=C(C)CC(F)C#C;OMTIUPXCZNHDAU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265788;MM265788;C#CC=C(F)CC(C)C#C;QKOKJLQIYGIUIL-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265789;MM265789;C#CC=C(F)CC(N)C#C;IHYKYLNZMMWJIV-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265790;MM265790;C#CC=C(F)CC(O)C#C;AHOVGIDYTVZSAE-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265791;MM265791;C#CC=C(F)CC(F)C#C;MBIXGAGYOJSIPB-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265792;MM265792;C#CC=C(C)OC(C)C#C;QNODVPKBHYRZEE-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265793;MM265793;C=C(CC)CC(C)=CCC;ZVZHECDLZPKVQP-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265794;MM265794;C=C(CC)CC(C)=CCN;BLTWZGSEDGFDGJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265795;MM265795;C=C(CC)CC(C)=CCO;ZTJQLWXWVPWZAN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265796;MM265796;C=C(CN)CC(C)=CCF;HWEOTJJVPWCFMH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265797;MM265797;CCC(=O)CC(C)=CCF;JUGUKYNBEFHEDA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265798;MM265798;CCC=C(C)CC(=O)CF;BHWYGCLNACGKSG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265799;MM265799;CC(=CCF)CC(=O)CF;FXHWPFARKNGKTI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265800;MM265800;C=C(CC)CC(F)=CCC;NKGUVRCYFHBQJS-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265801;MM265801;C=C(CC)CC(F)=CCN;SWNZKGAVPRYGSN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265802;MM265802;C=C(CN)CC(F)=CCC;QLUBDEWBYAGCMU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265803;MM265803;C=C(CN)CC(F)=CCN;XHNHVJODJHPEMN-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265804;MM265804;C=C(CO)CC(F)=CCC;JHDYYSKOLFWPQF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265805;MM265805;C=C(CO)CC(F)=CCF;UQUMFHCNHXDWOK-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265806;MM265806;C=C(CF)CC(F)=CCC;PTCACVJKVXVRKY-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265807;MM265807;CCC=C(F)CC(=O)CC;XDBMNKQEWZUAFG-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265808;MM265808;CCC=C(F)CC(=O)CO;YQVWUTVKQAFWRA-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265809;MM265809;C=C(CN)CC(C)=COC;AAWBKEOAWUURNT-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265810;MM265810;C=C(CF)CC(C)=COC;DBWNXSCLMGGYFH-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265811;MM265811;C=C(CN)CC(F)=COC;JSHBGZJYOLPUNS-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265812;MM265812;C=C(CO)CC(F)=COC;GMXDLIABWZLNHN-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265813;MM265813;C=C(CF)CC(F)=COC;UBIGHNXJJQDUFW-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265814;MM265814;CCC(=O)CC(F)=COC;ULRQVHAQAVDBOD-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265815;MM265815;CCC=C(C)CC(=N)NC;CDRIKFALIIOYBI-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265816;MM265816;CCC=C(C)CC(=N)NN;KPBLMNCRTWPBSF-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265817;MM265817;CC(=CCF)CC(=N)NN;LGQZEVYDKPZMCE-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265818;MM265818;CCC=C(C)CC(=N)NO;FNFVRVWYOUNXAH-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265819;MM265819;CC(=CCF)CC(=N)NO;VEBPXRYXDDUINV-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265820;MM265820;CNC(=O)CC(C)=CCO;WKXUTXCQOVROOC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265821;MM265821;CNC(=O)CC(C)=CCF;GGDMJEVVTYMXGF-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265822;MM265822;COC(=O)CN=CN(C)O;RIXVSSLEOPKRFL-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265823;MM265823;C#CC(=O)CN=CN(C)O;FHHSNMRKFXILLV-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265824;MM265824;CCC=C(C)CC(=O)NO;RBJJQEBIPGYRBN-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265825;MM265825;CC(=CCN)CC(=O)NO;XPNBZIANLZHVKC-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265826;MM265826;CC(=CCO)CC(=O)NO;CFHOYCYOCPTAJB-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265827;MM265827;CC(=CCF)CC(=O)NO;MGBOSLCHOXDXOZ-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265828;MM265828;CCC=C(F)CC(=N)NC;BFRPSROVGMIXFQ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265829;MM265829;CNC(=N)CC(F)=CCF;QSIRLMQQFUBIFP-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265830;MM265830;CCC=C(F)CC(=N)NN;KNBXNPAZUIXFNT-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265831;MM265831;CCC=C(F)CC(=O)NC;TYIMAZIMQDBUGC-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265832;MM265832;CNC(=O)CC(F)=CCF;OLAOAWSYNFPADA-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265833;MM265833;O=C(CC(F)=CCF)NO;FLGWZBVYPUOUAG-UHFFFAOYSA-N;151.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265834;MM265834;CNC(=N)CC(C)=COC;RULRBXWFYFYGKB-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265835;MM265835;COC=C(C)CC(=N)NO;CSFVXRCGXICTFX-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265836;MM265836;CNC(=O)CC(C)=COC;QHLODIAOHMPBNZ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265837;MM265837;CCC(O)CC(C)C=NN;DDAFUYUQZLJORL-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265838;MM265838;COC=C(C)CC(=O)NO;BWDKCLCSKGGXDY-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265839;MM265839;CNC(=N)CC(F)=COC;SGUDBJNMRJHVDZ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265840;MM265840;C=C(CC(C)=CCC)OC;KOBQBBCJCNOMQK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265841;MM265841;C=C(CC(C)=CCN)OC;NZDIHJIUVKUSKZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265842;MM265842;C=C(CC(F)=CCC)OC;CDBPOBLOUPAKEL-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265843;MM265843;C=C(CC(F)=CCN)OC;NPFRLPDEXXBERE-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265844;MM265844;COC(=O)CC(F)=CCN;PEYJMWZOXQZACB-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265845;MM265845;C=C(CC(C)=COC)OC;TYVHCESLUPLGHI-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265846;MM265846;C=C(CC(F)=COC)OC;BSGQMQSIHMUKHR-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265847;MM265847;COC=C(F)CC(=O)OC;JUSULHVEYUXCSJ-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265848;MM265848;C=C(CC)CC(C)=NNC;VITSTZRJVNSSMJ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265849;MM265849;CC(=CC(C)O)N(N)C=O;GNLHZJANTZTMHW-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265850;MM265850;C=C(CC)CC(C)=NOC;HRHZOBOVDWFDFP-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265851;MM265851;C=C(CN)CC(C)=NOC;LEQAURJMYYTKGQ-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265852;MM265852;C=NN(CC#N)CC(N)=O;CKIXFDFKFGURJD-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265853;MM265853;CCC#CCN=CN(C)O;KCKHODMQXWYTEP-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265854;MM265854;CNN=C(C)CC(=O)NO;FMUHPHXTFTUUMV-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265855;MM265855;CON=C(C)CC(=N)NN;PSKAYVXKWRKYAH-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265856;MM265856;CON=C(C)CC(=N)NO;BGEXJIBSASYJHS-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265857;MM265857;CN(O)C=NCC#CCF;KARXFHSQYDJNPY-UHFFFAOYSA-N;144.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265858;MM265858;C=CC#CCN=CN(C)O;IEQJQPNEBFETKM-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265859;MM265859;CON=C(C)CC(=O)NO;RLDKVAWWXNCCFC-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265860;MM265860;CN(O)C=NCC#CC#N;SIHUICIWRRJJCL-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265861;MM265861;CC(=CCN)NC(=N)CO;AHBUEPPQTSLQDA-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265862;MM265862;CC(=CCO)NC(=N)CO;SRQSRKNFROJVGN-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265863;MM265863;CCC=C(C)NC(=O)CC;YVENSFYQIOLYIQ-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265864;MM265864;CCC=C(C)NC(=O)CO;IKOVXWQHWZHVLW-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265865;MM265865;CC(=CCF)NC(=O)CO;YYEIDZLEAQYAHW-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265866;MM265866;CCC=C(C)NC(=O)CF;SDHCABSCWNVVNY-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265867;MM265867;CC(=CCN)NC(=O)CF;WBYLELQBGQXFHW-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265868;MM265868;CC(=CCO)NC(=O)CF;HIPMFTOYCAJMRX-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265869;MM265869;CCC(=N)NC(C)=COC;OFEIJZUXRIVADG-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265870;MM265870;COC=C(C)NC(=N)CO;HHZRZHPFXQQIFY-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265871;MM265871;CCC(=O)NC(C)=COC;ALMFILFLAXKTOC-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265872;MM265872;COC=C(C)NC(=O)CO;LLBRDXDAFVRJDN-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265873;MM265873;COC=C(C)NC(=O)CF;IIBVLSJJSVVSII-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265874;MM265874;CCC=C(C)NC(=N)NC;VCHJBNBRJSGYJO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265875;MM265875;CCC=C(C)NC(=N)NN;RLYRVJCIWOJBGQ-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265876;MM265876;CC(=CCO)NC(=N)NN;JWUGUTQTHGRDOB-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265877;MM265877;CC(=CCN)NC(=N)NO;NQEWIDKJOUDSJT-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265878;MM265878;CCC=C(C)NC(=O)NC;RFOWPVJNYYXFMB-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265879;MM265879;CNC(=O)NC(C)=CCN;JEFOWBGWRINHNJ-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265880;MM265880;C#CC#CCN=CN(C)O;ARVWOECLEOMJJM-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265881;MM265881;CCC=C(C)NC(=O)NO;JRGIGHPNYMJQJL-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265882;MM265882;CC(=CCN)NC(=O)NO;MVZRUNDGSODNQH-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265883;MM265883;CNC(=O)NC(C)=COC;OIGIJIIZOLNTEY-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265884;MM265884;CCCC(O)CCC=NN;XMMYSEGCSMFEBS-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265885;MM265885;COC=C(C)NC(=O)NO;XMADZYMLYDXVEP-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265886;MM265886;CCC=C(C)NC(=N)OC;YBDNYTPFUUMWEI-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265887;MM265887;COC(=N)NC(C)=CCO;LQUVPJCEUSSMSM-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265888;MM265888;CCC=C(C)NC(=O)OC;HOHJKELMIKZUBS-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265889;MM265889;C=C(CO)NC(C)=NCC;GNNCUNFDEWGPOD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265890;MM265890;CCN=C(C)NC(=N)CC;CGHJOQYWVPMLLO-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265891;MM265891;CCN=C(C)NC(=N)CN;POJMSFUDDQJGIX-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265892;MM265892;CCN=C(C)NC(=N)CO;OTDIKOSZMOZXQM-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265893;MM265893;CCN=C(C)NC(=N)CF;FYBIIIWRXSKOJD-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265894;MM265894;CC(F)C(=CCO)C(N)=O;XNBUGSPUBIZDRZ-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265895;MM265895;CCN=C(C)NC(=O)CO;QAKOYSYUAIBGEI-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265896;MM265896;CCN=C(C)NC(=O)CF;XGXTUJPLBORALY-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265897;MM265897;C=C(CC)N=C(C)NNC;LRBQRALBJZRZRJ-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265898;MM265898;CC(O)CNN(C=N)C=O;MHHGKHHSRBEVKR-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265899;MM265899;CNN=C(C)NC(=O)CO;RTFDXXRAKRVLDX-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265900;MM265900;CNN=C(C)NC(=O)CF;JXSJFVHPAIRIML-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265901;MM265901;CC(O)CNN(C=O)C=O;GSMSDEZCYKHMRA-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265902;MM265902;CON=C(C)NC(=O)CO;FHIDECZPDLBHTE-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265903;MM265903;CCN=C(C)NC(=N)NC;IISFRSISXAAZAB-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265904;MM265904;CCN=C(C)NC(=N)NO;MEBGDYGTAZKMPF-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265905;MM265905;C=NN(C=N)C=CC(C)O;XUNSYQGTCSJOBU-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265906;MM265906;CCN=C(C)NC(=O)NO;QQRQVOXPCBXZCQ-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265907;MM265907;CNN=C(C)NC(=N)NC;KPBLZIMSPZJYOC-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265908;MM265908;CNN=C(C)NC(=N)NN;MENAFRZJAAPHRB-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265909;MM265909;CNN=C(C)NC(=N)NO;GAYCXDSTKRKDSJ-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265910;MM265910;CNN=C(C)NC(=O)NC;DTUMGDFTJYYCEV-UHFFFAOYSA-N;144.18;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265911;MM265911;CNN=C(C)NC(=O)NN;RMIPSGPQFKLGNB-UHFFFAOYSA-N;145.17;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265912;MM265912;CNN=C(C)NC(=O)NO;XJSKJWBYISBFED-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265913;MM265913;CNC(=N)NC(C)=NOC;MOKNVALBVXEHRZ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265914;MM265914;CON=C(C)NC(=N)NN;RIIAJDUROZZVIA-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265915;MM265915;CON=C(C)NC(=O)NN;VTCPZEHWFUXIRO-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265916;MM265916;C=C(NC(C)=NCC)OC;WCUXXLHYNRLVNP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265917;MM265917;C=C(NC(C)=NOC)OC;YEAMPQRSWVIYOF-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265918;MM265918;C#CC(C=C)N=CN(C)O;FWJHMZGYYOCJGT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265919;MM265919;C=C(CC)OC(C)=CCC;IVQBFAYEMJXJHW-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265920;MM265920;C=C(CN)OC(C)=CCC;PUVYXJAJYUHMEA-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265921;MM265921;C=C(CN)OC(C)=CCO;AEKGRWMRGSISQB-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265922;MM265922;C=C(CO)OC(C)=CCC;VLNTXBFXYLHUPA-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265923;MM265923;C=C(CF)OC(C)=CCC;ANERMZJIZQEKQA-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265924;MM265924;CCC=C(C)OC(=O)CC;DEFGZLRDXZJNEO-UHFFFAOYSA-N;142.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265925;MM265925;CCC(=O)OC(C)=CCO;ZVGHPKQLCBCUHI-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265926;MM265926;CCC(=O)OC(C)=CCF;QUIMTUKQSQQMNX-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265927;MM265927;CC(=CCN)OC(=O)CN;GSLQHWMTVXHSLA-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265928;MM265928;CCC=C(C)OC(=O)CF;XEFKMEPJZAKFLU-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265929;MM265929;C=C(CC)OC(C)=COC;HTUKZZXLGPNAOC-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265930;MM265930;C=C(CN)OC(C)=COC;VNKSZHUVWXWUIK-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265931;MM265931;C=C(CO)OC(C)=COC;FEGBRWJWRBEYKV-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265932;MM265932;CCC(=O)OC(C)=COC;IIDBAGSODXAYKH-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265933;MM265933;COC=C(C)OC(=O)CF;POYZZVYHDAAHII-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265934;MM265934;CCC=C(C)OC(=O)OC;BOPOPUUPUSUTSM-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265935;MM265935;COC(=O)OC(C)=CCF;DRYGKCRZJAVSPT-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265936;MM265936;C=C(C=O)N(NC)C(N)=O;SXRFRMNWCFWPCW-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265937;MM265937;CCC(=O)OC(C)=NOC;LDNJEKVVZDXRFN-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265938;MM265938;CON=C(C)OC(=O)CO;DFIVWHXEHXJILS-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265939;MM265939;C=CC(=C)N(N=C)C(N)=O;QLDHHRSDVRYZGG-UHFFFAOYSA-N;139.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265940;MM265940;CC(=NN)N(C=N)C(N)=O;YUQXCBQDWCJRJJ-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265941;MM265941;CNC(=O)OC(C)=NOC;AQJYYMKGVZFYSG-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265942;MM265942;CON=C(C)OC(=O)NN;HAJPIAOKSIMMMK-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265943;MM265943;C=C(CC)CC(C)=CC=O;OJLYKYKNOWLIED-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265944;MM265944;C=C(CC)CC(C)=CC#N;CLUHQNCXCSNRQJ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265945;MM265945;C=CC=C(C)CC(=C)CN;UMCSLYQTOAETEO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265946;MM265946;C=C(CO)CC(C)=CC=O;UEHSBKMOJQCJRG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265947;MM265947;C=CC=C(C)CC(=O)CF;JJUNXTDNCJNHNT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265948;MM265948;CC(=CC=O)CC(=O)CF;HAISRHIMAKGOSB-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265949;MM265949;CC(=CC#N)CC(=O)CF;QAQDFCNRCQXYFF-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265950;MM265950;C=C(CO)CC(N)=CC=O;JERIWAMTNVHFQZ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265951;MM265951;C=C(CF)CC(N)=CC#N;WBBWTTSECSZGJC-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265952;MM265952;C=CC=C(F)CC(=C)CC;FHJMVBSDFXGWJG-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265953;MM265953;C=C(CC)CC(F)=CC#N;CETYLACUKJVABH-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265954;MM265954;C=CC=C(F)CC(=C)CN;MUAUBHQNTAKZFR-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265955;MM265955;C=CC=C(F)CC(=C)CO;QIVVGKCLKMNDQF-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265956;MM265956;C=C(CF)CC(F)=CC=O;WMFWFLPMFYKCOE-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265957;MM265957;C=CC=C(F)CC(=O)CF;CAZRNIOIPJPKQW-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265958;MM265958;O=CC=C(F)CC(=O)CF;CRJIDWWIAVWWEQ-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265959;MM265959;N#CC=C(F)CC(=O)CF;HFMMDLXTXDEXCJ-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265960;MM265960;C=CC=C(C)CC(=N)NC;YHJJKYLZOFGICT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265961;MM265961;CN=C(N)CC(C)=CC=O;NHPYMIFOJUESHR-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265962;MM265962;CNC(=N)CC(C)=CC#N;FQUAARRDIBEDKA-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265963;MM265963;C=CC=C(C)CC(=N)NN;XQKBQTMJWKPLPL-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265964;MM265964;C=CC=C(C)CC(=N)NO;VOLHRGOPGRLRSG-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265965;MM265965;CNC(=O)CC(C)=CC=O;HVJFRYOOFQDWMY-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265966;MM265966;N#CC=C(N)CC(=N)NO;RKQCGNOSJYPDSX-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265967;MM265967;CNC(=O)CC(N)=CC=O;AKXATTYLUPDMIZ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265968;MM265968;N#CC=C(N)CC(=O)NO;KMGAIOCGATYOBP-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265969;MM265969;C=CC=C(F)CC(=N)NC;SJPXVZIZKLDWOX-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265970;MM265970;CN=C(N)CC(F)=CC=O;PRXFFQKLCSHJEO-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265971;MM265971;C=CC=C(F)CC(=N)NN;NMVIHCRCJICQOO-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265972;MM265972;CNC(C(N)=O)=C(C)C#N;RDVGCTJLJPDXFD-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265973;MM265973;C=C(CC(C)=CC=O)OC;KITPZEGEKJHKMZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265974;MM265974;C=C(CC(C)=CC#N)OC;VKPFVZWUIFXLIL-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265975;MM265975;C=CC=C(C)CC(=O)OC;ZNKWPLIOAOKARV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265976;MM265976;COC(=O)CC(C)=CC=O;JJSAVRQURTUCHN-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265977;MM265977;COC(=O)CC(C)=CC#N;AQIIMPXBVSEJQA-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265978;MM265978;C=C(CC(N)=CC#N)OC;UGNYKDIYNYXBRH-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265979;MM265979;COC(=O)CC(N)=CC=O;ZCNSHHHHVNDCMX-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265980;MM265980;COC(=O)CC(N)=CC#N;UZWQJWCECGYDIQ-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265981;MM265981;C=CC=C(F)CC(=C)OC;QAYDSSAPZOXATG-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265982;MM265982;C=CC=C(F)CC(=O)OC;SSWVMUIXUONTRR-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265983;MM265983;C=NN=C(C)CC(=C)CN;ZEDWDNSNMPQNOH-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265984;MM265984;C=NN=C(C)CC(=C)CO;LQTWNPYRLGBWDV-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265985;MM265985;C=NN=C(C)CC(=C)CF;HGXOEUZGJVBJLH-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265986;MM265986;CC(NC=O)C(C#N)=CN;IZXLDZXPWMPNRH-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265987;MM265987;C=NN=C(C)CC(=O)CF;VXXIRTJNNJIRBU-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265988;MM265988;C=NN=C(C)CC(=C)OC;SGBPCQNAWAAEIV-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265989;MM265989;C#CCC(=O)C1CN1CC;WPSSLFSZKHVESS-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265990;MM265990;CC(=CC=O)NC(=O)CO;XKDHSHNWXAPGGM-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265991;MM265991;CC(=CC#N)NC(=O)CO;UAUNCFGRIYTZOX-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265992;MM265992;CCC(=N)NC(N)=CC#N;SHIFGACZTUGYJU-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265993;MM265993;NC(=CC=O)N=C(N)CO;DZGLOLJPHZWJID-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265994;MM265994;CC(O)C=CN(N)C=O;QTZURNWMYTZULJ-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265995;MM265995;C=CC=C(C)NC(=N)NC;CZXAIKSWDOTYKT-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265996;MM265996;C=CC=C(C)NC(=N)NN;OFGYOFKLNHPCCT-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265997;MM265997;C=CC=C(C)NC(=N)NO;RSOAVSVCNDSNPV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265998;MM265998;C=CC=C(C)NC(=O)NC;OJBHODFQNRDWEE-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM265999;MM265999;CNN=CCNC(N)=O;XJHVREKJPNHNGV-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266000;MM266000;C=CC=C(C)NC(=O)NO;LIXJLZXRJRRIJT-UHFFFAOYSA-N;142.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266001;MM266001;CNC(=O)NC(N)=CC=O;VYCGQGUYZQNRCD-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266002;MM266002;NC(=O)C=NNCCO;UIMWEWBTKDTXNU-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266003;MM266003;C=C(CN)N=C(C)NC=N;KRPDVOXGDWLAPC-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266004;MM266004;CCC(=N)N=C(C)NC=N;ZRPCGNBWWLCQIM-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266005;MM266005;C#CC#CC=CC(N)=O;BCPOYOXRLJPUPX-UHFFFAOYSA-N;119.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266006;MM266006;NNc1n[nH]c(F)c1N;ZVRAECNQBARZOE-UHFFFAOYSA-N;131.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266007;MM266007;C=NNCC(C=O)CO;SUBLAKABWRZSSZ-UHFFFAOYSA-N;130.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266008;MM266008;CCC(=O)N=C(C)NC=O;WTRFHPPVDBKNPF-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266009;MM266009;CC(=NC=N)NC(=O)CO;ZXXPSYCMHIBRFU-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266010;MM266010;CC(=NC=O)NC(=O)CO;CWCGQNDUSMLGBP-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266011;MM266011;CC(=NC=N)NC(=O)CF;HQRHFAVIPMXLCO-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266012;MM266012;CC(CO)CN(N)C(N)=O;WNRSZIYIHWSBEF-UHFFFAOYSA-N;147.18;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266013;MM266013;C=NN=C(C)NC(=N)CC;IXGACQNNRZXLJX-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266014;MM266014;CC(C=O)OC=NN(C)C;XYWHHLSESYFTSE-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266015;MM266015;C=NN=C(C)NC(=O)CC;APOSISLZYLNHQT-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266016;MM266016;C=NN=C(C)NC(=O)CF;NCCUVAOIWMYUJQ-UHFFFAOYSA-N;145.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266017;MM266017;CNC(=N)N=C(C)NC=O;AJXFWKVLRWNNFA-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266018;MM266018;CC(=NC(=N)NO)NC=O;MXTLCRGWOSTYAI-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266019;MM266019;CNN=CC#CCC(C)=O;GBURKCCCBVIPGS-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266020;MM266020;CNC(=O)N=C(C)NC=O;LVDWHJCOBUJJOI-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266021;MM266021;C=NOC(C)C(=O)NCC;GEKMTMUMDSXJST-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266022;MM266022;CC(=NC=O)NC(=O)NN;LDXNAOJGTFLJNG-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266023;MM266023;CC(=NC=N)NC(=O)NO;WLZSRCPBVNOGCI-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266024;MM266024;CC(=NC=O)NC(=O)NO;DYRUEHQKIUROCR-UHFFFAOYSA-N;145.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266025;MM266025;C=NN=C(C)NC(=N)NN;LFFORUZMMFOKRY-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266026;MM266026;C=C(C)C(=O)C(C#N)NC;CWDYJSJCJIOBST-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266027;MM266027;CC(O)C(C)C(C)C=NN;RWHMOWKIHDEJNU-UHFFFAOYSA-N;144.22;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266028;MM266028;C=NN=C(C)NC(=O)OC;FCMPKKGVGPBFPD-UHFFFAOYSA-N;143.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266029;MM266029;C=CC=C(C)OC(=C)CN;DJHCMEJZEWAIEC-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266030;MM266030;C=CC=C(C)OC(=C)CO;KYBBFXDZGCQTCM-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266031;MM266031;C=CC=C(C)OC(=O)CC;ZFJQFEGBGQGCLE-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266032;MM266032;CCC(=O)OC(C)=CC#N;VVBCCSRYRYODER-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266033;MM266033;C=CC=C(C)OC(=O)CF;QDVYRNJAARHMGY-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266034;MM266034;C=C(CC)OC(N)=CC#N;VDXGDTOKZXSELX-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266035;MM266035;C=C(CF)OC(N)=CC=O;QRONZCPRKUAYHQ-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266036;MM266036;C=C(CF)OC(N)=CC#N;XIEFIIRBKXDHKW-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266037;MM266037;NC(=CC=O)OC(=O)CO;ATJOLVNSODQLRB-UHFFFAOYSA-N;145.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266038;MM266038;COC(=O)OC(C)=CC=O;YCJIYTGZGYWQOG-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266039;MM266039;COC(=O)OC(C)=CC#N;OBVPWYIBACGLKL-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266040;MM266040;COC(=O)OC(N)=CC=O;KTHMCKANWLPACH-UHFFFAOYSA-N;145.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266041;MM266041;C=NN=C(C)OC(=C)CN;WVNFKXQUWNQYES-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266042;MM266042;C=NN=C(C)OC(=C)CO;BURXCBPECOIEME-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266043;MM266043;C=NN=C(C)OC(=O)CC;OIQFOVKLVSJKSW-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266044;MM266044;C=NN=C(C)OC(=O)CO;CWAHLEQNKJUAQG-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266045;MM266045;C=NN=C(C)OC(=O)CF;AMHHRFSCCMSTAK-UHFFFAOYSA-N;146.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266046;MM266046;C=NN=C(C)OC(=O)NC;OTXUBAOUBOWVMZ-UHFFFAOYSA-N;143.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266047;MM266047;C=NN=C(C)OC(=O)OC;ANGYFRDXHKNGRW-UHFFFAOYSA-N;144.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266048;MM266048;C#CC=C(C)CC(=C)CC;FUCJPLTWJWOSJK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266049;MM266049;C#CC=C(C)CC(=C)CN;BSCGPJJKCUPMAK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266050;MM266050;C#CC=C(C)CC(=C)CF;QBFZOJPVRBKNIP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266051;MM266051;C#CC=C(C)CC(=O)CC;QJEVAPOPHSPPAG-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266052;MM266052;C#CC=C(F)CC(=C)CC;AWMHTJKYFWSKAC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266053;MM266053;C=NNC1CC(C(C)O)C1;CXZVNELEOUBUHV-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266054;MM266054;C#CC=C(F)CC(=N)NO;VQPUJPGHAUGANK-UHFFFAOYSA-N;142.13;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266055;MM266055;C#CC=C(F)CC(=O)NC;ZSXBTQJYRHRFSR-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266056;MM266056;C#CC=C(C)CC(=O)OC;NZXQCLGGFLBGIB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266057;MM266057;C#CC=C(F)CC(=O)OC;SVTMXRPWEPBKJE-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266058;MM266058;C#CC=C(C)NC(=O)CC;VFSJLLZRLZXWBG-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266059;MM266059;C#CC=C(C)NC(=N)NC;FMCKVCDJZHYCGR-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266060;MM266060;C#CC=C(C)NC(=O)NC;HLUFBDDJSIIYPP-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266061;MM266061;C#CC=C(C)NC(=O)OC;WUJJACOCRXGQLF-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266062;MM266062;C#CC=C(C)OC(=C)CC;RNSMEJHQWQFOLP-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266063;MM266063;C#CC=C(C)OC(=C)CN;XHOIUXMBWSYSGB-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266064;MM266064;C#CC=C(C)OC(=C)CO;IYFISJXZUHTOAN-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266065;MM266065;C#CC=C(C)OC(=O)CC;TUQMXVPYIOHIEM-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266066;MM266066;C#CC=C(C)OC(=O)CO;XSZBELOIXIYSEK-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266067;MM266067;C#CC=C(C)OC(=O)CF;UAMRBCUQOPJNJX-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266068;MM266068;C#CC=C(C)OC(=O)OC;KXRSDZNQGJJKKD-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266069;MM266069;C=CC(=C)CC(C)=CCN;HNSVMXVJAFLUOE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266070;MM266070;C=C(C#N)CC(C)=CCO;GLUCJFVTZWWWTI-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266071;MM266071;CCC=C(C)CC(=O)C=O;GYSMOINIOBUBKV-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266072;MM266072;CCC=C(C)CC(=O)C#N;JVQOEPKTJXJHJB-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266073;MM266073;CC(=CCF)CC(=O)C#N;MRGBNYRSYCAPDZ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266074;MM266074;C=CC(=C)CC(F)=CCC;IUAYPGMAXGYLQF-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266075;MM266075;C=CC(=C)CC(F)=CCN;QCMLLWFZVQNWCY-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266076;MM266076;C=C(C=O)CC(F)=CCC;VIUULIHUIGMACP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266077;MM266077;C=C(C#N)CC(F)=CCC;DZMXAVNVUODVFJ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266078;MM266078;C=C(C=O)CC(F)=CCO;BFNPTXRTUXGWCB-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266079;MM266079;C=C(C#N)CC(F)=CCO;AHVPQVGJEBZEMG-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266080;MM266080;CCC=C(F)CC(=O)C#N;QMXDDSGKHSSHJW-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266081;MM266081;O=CC(=O)CC(F)=CCO;AGSGAJPFBLXOPJ-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266082;MM266082;N#CC(=O)CC(F)=CCO;BRQXOGHDODUSDF-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266083;MM266083;O=CC(=O)CC(F)=CCF;VFBHYSVXLZCXNP-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266084;MM266084;C=C(C=O)CC(F)=COC;NDEJHOJOXHQZFM-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266085;MM266085;C=C(C#N)CC(F)=COC;JIKRSBRNPXNFPU-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266086;MM266086;C=CC(=O)CC(F)=COC;XSKBPRKUAJHNEW-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266087;MM266087;C=CC(=C)CC(C)=NOC;ORKGDUKEDVTNIZ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266088;MM266088;C=NOC1CC(C(C)O)C1;FYJINWUZFBVJMP-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266089;MM266089;CCC(O)CCC(C)=NN;AEJOWFPTNJDMFZ-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266090;MM266090;CC1(C#N)NC1C(=O)CF;HDNQWGVCKBUMAA-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266091;MM266091;C=CC(=N)NC(C)=CCC;ICRKRAJXSOGOPF-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266092;MM266092;CCC=C(C)N=C(N)C=O;XYLFFZMZDQHORC-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266093;MM266093;CCC=C(C)NC(=N)C#N;KVOBGFSWVCGMBQ-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266094;MM266094;C=CC(=O)NC(C)=CCO;ISLSMTLYDIBFGV-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266095;MM266095;CCC=C(C)NC(=O)C#N;MWIDSHYKGHIFCU-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266096;MM266096;CC(=CCO)NC(=O)C=O;PCKNVHBKVDSAHS-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266097;MM266097;CC(=CCF)NC(=O)C#N;ITHZWCPRILWCPR-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266098;MM266098;COC=C(C)N=C(N)C=O;CWLRCKMHSFYTFN-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266099;MM266099;C=CC(=C)NC(C)=NCC;KCNDJAKKZIVFKI-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266100;MM266100;C=C(C#N)NC(C)=NCC;PBDLVGQOVUVIJM-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266101;MM266101;C=CC(=N)NC(C)=NCC;MAWJNGILTCPMQR-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266102;MM266102;C=NN(C)CC(C=O)CO;YODWIAJQCIJJMU-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266103;MM266103;CC(CNC(N)=O)C(=O)O;PHENTZNALBMCQD-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266104;MM266104;C=CC(=N)NC(C)=NNC;QBBNWNCKDVZFEJ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266105;MM266105;CNN(C=O)C=CC(C)O;VYYHAMLMJGAHOZ-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266106;MM266106;C=CC(=O)NC(C)=NNC;LQHGHZZJUXCTMZ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266107;MM266107;C=CC(=C)NC(C)=NOC;SMPOHGCVMBPWTI-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266108;MM266108;CC(O)C=CN(C=N)C=O;BWGUIMUBNUUBHM-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266109;MM266109;C=CC(=C)OC(C)=CCC;UZJNGXRRTUIBTR-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266110;MM266110;C=CC(=C)OC(C)=CCO;PKBQNFFGLMPQIY-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266111;MM266111;C=C(C=O)OC(C)=CCC;JYWFYNUAKVGLKT-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266112;MM266112;C=C(C#N)OC(C)=CCC;IJGZWRLALURRDP-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266113;MM266113;C=C(C=O)OC(C)=CCO;NMRTXMYWNXSPBR-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266114;MM266114;C=C(C#N)OC(C)=CCF;PXILHXAZZZHRFY-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266115;MM266115;C=CC(=O)OC(C)=CCC;NASFNKKFQQLCCW-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266116;MM266116;C=CC(=O)OC(C)=CCN;FEEPXBFKKHXBTM-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266117;MM266117;C=CC(=O)OC(C)=CCF;NFUPEQAQHCRVOX-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266118;MM266118;CCC=C(C)OC(=O)C=O;CVWOCOMLNXTHFN-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266119;MM266119;CC(=CCO)OC(=O)C=O;RIXVTDBQOXGLHU-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266120;MM266120;CC(=CCF)OC(=O)C#N;SVABZNQLNZFOED-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266121;MM266121;C=CC(=O)OC(C)=COC;XHACJLONOWOYHG-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266122;MM266122;COC=C(C)OC(=O)C#N;QHIVBRZYQOZPRO-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266123;MM266123;CN(CCCO)N=CNO;FWDHUJJOZBVZEJ-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266124;MM266124;C#CCCN(N)C(=O)NC;QUBNQMHSZSEICO-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266125;MM266125;C=C(C#N)OC(C)=NOC;BTDAAYIJYFIHJY-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266126;MM266126;C=CC=C(C)CC(=C)C=O;VOVHKDIVZVVRFF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266127;MM266127;C=C(C=O)CC(C)=CC=O;DNYODPRJAHCKMU-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266128;MM266128;C=C(C#N)CC(C)=CC=O;PLWNJMVAJUEKMY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266129;MM266129;C=C(C#N)CC(C)=CC#N;LEWUAWHEPZTBMZ-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266130;MM266130;C=CC=C(C)CC(=O)C=C;ZIFZGWHUUNNMBR-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266131;MM266131;C=CC(=O)CC(C)=CC=O;ZOWNERXWICZIFC-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266132;MM266132;C=CC(=O)CC(C)=CC#N;MXKIRBIHUNDCLT-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266133;MM266133;CC(=CC#N)CC(=O)C#N;MAYWMCRYVPGYDN-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266134;MM266134;C=CC(=C)CC(N)=CC=O;FQFKWWMFKDRBAY-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266135;MM266135;C=C(C#N)CC(N)=CC#N;QYHCLJAHMPGKQR-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266136;MM266136;C=CC=C(F)CC(=C)C=O;GTGVKWUKMSLFQO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266137;MM266137;C=CC=C(F)CC(=C)C#N;HHODXTZLBADGKQ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266138;MM266138;C=C(C=O)CC(F)=CC=O;GEUYQJCSWBBUCT-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266139;MM266139;C=C(C#N)CC(F)=CC#N;GKVUIWJLJDLWMQ-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266140;MM266140;C=CC=C(F)CC(=O)C=C;OQRSQBURAMBMDI-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266141;MM266141;C=CC(=O)CC(F)=CC=O;DPOAJYRCDVXPSG-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266142;MM266142;C=CC(=O)CC(F)=CC#N;BWWKCOPNGIQGGN-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266143;MM266143;C=CC=C(F)CC(=O)C=O;SJOOEDPEQWRJJK-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266144;MM266144;C=CC=C(F)CC(=O)C#N;GHSVTSXMCISLSO-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266145;MM266145;N#CC=C(F)CC(=O)C#N;IFJUBCAPYCTTEF-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266146;MM266146;CCC(O)CCC=NNC;SRGRAEUAUSXGFM-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266147;MM266147;CCC(O)CCC=NOC;GPQCKVUIRVSEFM-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266148;MM266148;C=NN=C(C)CC(=O)C=O;HQXQRSGGADIBPG-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266149;MM266149;C=NN=C(C)CC(=O)C#N;FMUOVEPCYZDSPJ-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266150;MM266150;C=CC=C(C)NC(=N)C=C;ZRHHQJWAMNLSIC-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266151;MM266151;C=CC=C(C)N=C(N)C=O;CKXSLOYYSNNDEP-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266152;MM266152;CC(=CC=O)N=C(N)C#N;TVQCBXUZDAHXQM-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266153;MM266153;C=CC=C(C)NC(=O)C=O;MXVZHXWVYXCBJZ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266154;MM266154;C=CC=C(C)NC(=O)C#N;ZCAZARXHJHCDEI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266155;MM266155;CC(=CC#N)NC(=O)C=O;XGCFCAFKHGNBMW-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266156;MM266156;C=C(C#N)N=C(C)NC=N;ZAZXOQSFHXBKMH-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266157;MM266157;C=CC(=N)NC(C)=NC=N;UMBPBURCNAPGGE-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266158;MM266158;CC(=NC(=N)C=O)NC=O;NLRVPQVVORZJEL-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266159;MM266159;C=CC(=O)NC(C)=NC=O;DAMHPRKMLHDEFU-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266160;MM266160;C=CC(=N)N(C=N)C(N)=O;JDNGFJHMTBHWNZ-UHFFFAOYSA-N;140.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266161;MM266161;CC=NNCC(C=O)CO;ZWQFPTBPOMBGME-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266162;MM266162;C=C(C)c1c[nH]c(N=N)c1;JQTCQAIPZYUGIM-UHFFFAOYSA-N;135.17;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266163;MM266163;C=NNc1ccn(CC)n1;ZAUQTQZXKQRODY-UHFFFAOYSA-N;138.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266164;MM266164;C=CC(=O)NC(C)=NN=C;CSPXVHAWDCULPZ-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266165;MM266165;C=CC=C(C)OC(=C)C=C;KMWQXPHGOREJNZ-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266166;MM266166;C=CC(=C)OC(C)=CC#N;KHUBMHRTHYXSTM-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266167;MM266167;C=CC=C(C)OC(=C)C=O;XEDAPXRIDMWZBL-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266168;MM266168;C=CC=C(C)OC(=C)C#N;CPYRRPUBQCMPDD-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266169;MM266169;C=C(C#N)OC(C)=CC=O;JRKADQBGIHRSPC-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266170;MM266170;C=C(C=O)OC(C)=CC#N;STYDCVXTUKICBJ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266171;MM266171;C=CC=C(C)OC(=O)C=C;LHAXZAUDJYMCHP-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266172;MM266172;C=CC(=O)OC(C)=CC=O;KARPPSZCYUKLKW-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266173;MM266173;C=CC=C(C)OC(=O)C#N;XYELEHAWRPIULJ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266174;MM266174;C=CC(=C)OC(N)=CC#N;PNNYZQGHZSQDQA-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266175;MM266175;C=NN=C(C)OC(=C)C=O;SMOISNNVESWFJV-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266176;MM266176;C=NN=C(C)OC(=C)C#N;VUNSVRGFFIIRLW-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266177;MM266177;C=CC(=O)OC(C)=NN=C;KYBFSJHGMPLAQH-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266178;MM266178;C=NN=C(C)OC(=O)C=O;VIAFNYQGVZJQOQ-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266179;MM266179;C=NN=C(C)OC(=O)C#N;GHPKAWXUGROEKJ-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266180;MM266180;C#CC=C(C)CC(=C)C=O;PIPCDJNASXYKKQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266181;MM266181;C#CC=C(C)CC(=C)C#N;RQFWFHDEGHTZRX-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266182;MM266182;C#CC=C(C)CC(=O)C#N;UYFPFBUNJLLNEL-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266183;MM266183;C#CC=C(F)CC(=C)C=O;HEJMVNYLFYZVLR-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266184;MM266184;C#CC=C(F)CC(=C)C#N;IXEIAFYIZJJPGM-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266185;MM266185;C#CC=C(F)CC(=O)C=C;JQLZITMYCXEUNE-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266186;MM266186;C#CC=C(F)CC(=O)C=O;MYHUAKYHGRFVGJ-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266187;MM266187;C#CC=C(F)CC(=O)C#N;LFDUXEFBKKOOQL-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266188;MM266188;C#CC=C(C)NC(=N)C=C;RSWMYFLJWJDAQJ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266189;MM266189;C#CC=C(C)N=C(N)C=O;QOJUJHKOVWKDLA-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266190;MM266190;C#CC=C(C)NC(=O)C=C;PRIVAKFWXQPRMZ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266191;MM266191;C#CC=C(C)NC(=O)C=O;LYWSPPXOWNTSLA-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266192;MM266192;C#CC=C(C)OC(=C)C=C;AMSPRUXJWSZJAB-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266193;MM266193;C#CC=C(C)OC(=C)C#N;JEQLHNMNAKUGNK-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266194;MM266194;C#CC=C(C)OC(=O)C=C;MOHWWFPNSQVXDT-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266195;MM266195;C#CC=C(C)OC(=O)C=O;GVJVDUHUBBFNHD-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266196;MM266196;C#CC=C(C)OC(=O)C#N;PGCCCFIYOHTIHC-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266197;MM266197;C#CC(=C)CC(C)=CCF;AFPKTSYRJYAJOX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266198;MM266198;C#CC(=O)CC(C)=CCC;KQUMADPIKYVHCM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266199;MM266199;C#CC(=O)CC(C)=CCF;CXQLXDNDHIRAES-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266200;MM266200;C#CC(=C)CC(F)=CCC;NLJGLGXZPIOYES-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266201;MM266201;C#CC(=C)CC(F)=CCN;DIILAGGNCMJGEL-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266202;MM266202;C#CC(=O)CC(F)=CCC;DLQGFHWBNBUENI-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266203;MM266203;C#CC(=C)CC(F)=COC;XTSKDOQJRWHHRU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266204;MM266204;C#CC(=O)CC(F)=COC;BUIODFVYTQPMDF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266205;MM266205;C#CC(=C)CC(C)=NOC;DHWIAWLJCHKMTI-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266206;MM266206;C#CC(=N)NC(C)=CCC;OYWZLJXHSUQKBC-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266207;MM266207;C#CC(=N)NC(C)=CCO;OCXDPYVSVYQENP-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266208;MM266208;C#CC(=O)NC(C)=CCC;ODBYGGSKOJLDNO-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266209;MM266209;C#CC(=O)NC(C)=CCN;HGTHAPMXSOFZPY-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266210;MM266210;C#CC(=O)NC(C)=CCO;GZLHPPSCVQRWML-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266211;MM266211;C#CC(=C)NC(C)=NCC;BITQHHLBBRWBCG-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266212;MM266212;C#CC(=O)NC(C)=NCC;GMUGKJCHLSPTQQ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266213;MM266213;C#CC(=O)NC(C)=NNC;SZJGHMDNNFNDHM-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266214;MM266214;C#CC(=C)NC(C)=NOC;SXPWCCUILOZWPX-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266215;MM266215;CCNc1cc(NN)n[nH]1;URTRBEQDBIOHAG-UHFFFAOYSA-N;141.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266216;MM266216;C#CC(=C)OC(C)=CCC;UMFYFWAXCJDANE-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266217;MM266217;C#CC(=O)OC(C)=CCC;YNFRRPXGPSRPDJ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266218;MM266218;C#CC(=C)OC(C)=COC;SDVLRPOFTSNHNP-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266219;MM266219;C#CC(=O)OC(C)=COC;AQPCDQWHIXLLKC-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266220;MM266220;Nc1n[nH]nc1N;DQSBZDLZCZUJCJ-UHFFFAOYSA-N;99.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266221;MM266221;CN1CC1C(=O)CF;CJPSACJTLJBKQJ-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266222;MM266222;C#CC(=C)OC(C)=NOC;FOUXPHSSRQXVNX-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266223;MM266223;C#CC(=C)CC(C)=CC=O;RYLMZJMHQSVEBT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266224;MM266224;C#CC(=O)CC(C)=CC=C;IXSHDXNBFYEMGA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266225;MM266225;C#CC(=C)CC(N)=CC=O;IWKJVIMFJUKNIS-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266226;MM266226;C#CC(=C)CC(N)=CC#N;FAOBUCUZDGAKNS-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266227;MM266227;C#CC(=C)CC(F)=CC=C;COUYYBAOBWBXOD-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266228;MM266228;C#CC(=C)CC(F)=CC=O;ZNWVFFWOWHLUPK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266229;MM266229;C#CC(=O)CC(F)=CC=C;RCOFMGKVJRDPRA-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266230;MM266230;C#CC(=C)CC(C)=NN=C;DNMSJWJQAXDKPL-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266231;MM266231;CC(CC(C)(C)O)=NN;KXGYAFDGIAXXPL-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266232;MM266232;C#CC(=C)N=C(C)NC=N;TWZWACNKXFIYKC-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266233;MM266233;C#CC(=C)N=C(C)NC=O;CJWHXPWOKTTWHN-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266234;MM266234;C#CC(=O)NC(C)=NC=N;YBFNYZJVSQNFKE-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266235;MM266235;C#CC(=O)NC(C)=NC=O;INMCCQRTKWKUGE-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266236;MM266236;CN(C)N=COC(N)=O;DHLGVQVUFDXZOW-UHFFFAOYSA-N;131.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266237;MM266237;CCNN=COC(N)=O;QSWFWYHUQKBXAV-UHFFFAOYSA-N;131.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266238;MM266238;C#CC(=O)NC(C)=NN=C;PAYUCHYYAJYCGT-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266239;MM266239;C#CC(=C)OC(C)=CC=C;QSINZPURMFSTBD-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266240;MM266240;C#CC(=O)OC(C)=CC=C;DCLREGDFXTWQSJ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266241;MM266241;C#CC(=C)OC(C)=NN=C;AEVDBZNYJRDWKG-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266242;MM266242;C#CC(=O)OC(C)=NN=C;GUYXKPGKVSVFHM-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266243;MM266243;C#CC=C(C)CC(=C)C#C;LKXLKPDVGLDAEF-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266244;MM266244;C#CC=C(F)CC(=C)C#C;RQJZSDHSKWPHOY-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266245;MM266245;C#CC=C(F)CC(=O)C#C;KKCAZLVBCNNQPD-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266246;MM266246;C#CC=C(C)NC(=N)C#C;XFSIIIXYASITMW-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266247;MM266247;C#CC=C(C)NC(=O)C#C;FSCHTWOXDOGVSZ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266248;MM266248;C#CC=C(C)OC(=C)C#C;WHJQRUOLYBSIFI-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266249;MM266249;C#CC=C(C)OC(=O)C#C;NSOHMXDSKAWCKQ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266250;MM266250;CC=C(C)CC(C)=CCC;ZBJHZRLEFCLROZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266251;MM266251;CC=C(C)CC(C)=CCN;XNENNOZUSRPZTK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_C5";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266252;MM266252;CC=C(C)CC(C)=CCO;FACGPZXJDUKWFB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266253;MM266253;CCC=C(C)CC(C)=CF;SKYJOXYULPARRV-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266254;MM266254;CC(=CF)CC(C)=CCN;OYOMBVOHWIOLTP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266255;MM266255;CC(=CF)CC(C)=CCO;UUQQNAAIFIHYEI-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266256;MM266256;CC=C(F)CC(C)=CCN;UIAYLXLTUWMRHY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266257;MM266257;CC(=CCN)CC(F)=CF;MAPKVZWLRVSXGQ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266258;MM266258;CC=C(C)CC(F)=CCN;LQYUKVSMRVYLEG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266259;MM266259;CC(=CF)CC(F)=CCN;VPEJQAPUSWPQIU-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266260;MM266260;CC=C(F)CC(F)=CCN;YTTYOXYQHXBPGG-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266261;MM266261;CCC=C(F)CC(F)=CF;XZPZJYPFENPKNF-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266262;MM266262;NCC=C(F)CC(F)=CF;ZRZYOQCODROINM-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266263;MM266263;COC=C(F)CC(F)=CF;UAEZSOBKKTUWBR-UHFFFAOYSA-N;152.12;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266264;MM266264;CCC=C(C)CC(C)=NN;GBQUQYCGESNAJX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266265;MM266265;CN(CC=O)N=CNO;IYHQDJJCLOTUPK-UHFFFAOYSA-N;131.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266266;MM266266;COC=C(C)CC(C)=NN;UEHXLNGRLKRYQT-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266267;MM266267;COC=C(C)CC(C)=NO;YMMXHCUVVYKGJG-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266268;MM266268;COC=C(F)CC(C)=NN;DWANRTMVDQXRIB-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266269;MM266269;COC=C(F)CC(C)=NO;ANHXFVRZBPSQNP-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266270;MM266270;CC=C(C)CC(C)=NNC;LPFZFRFSDYOXGT-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266271;MM266271;CON=C(C)CC(C)=CF;MGOXGMGPBWFDTI-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266272;MM266272;CON=C(C)CC(C)=NO;IPWYIRNOXRLPKZ-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266273;MM266273;CCC=C(C)N=C(C)NC;ZBYSAGKLJGALOV-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266274;MM266274;CN=C(C)NC(C)=CCO;ZMCOJDZVCIQSCM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266275;MM266275;CCC=C(C)N=C(C)NN;LOLBFHJVEDDWRF-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266276;MM266276;CC(=CCF)NC(C)=NN;WYVPSXVWPAGNRO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266277;MM266277;CCC=C(C)N=C(C)NO;LXIPECPDVTUWLA-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266278;MM266278;CC(=CCN)NC(C)=NO;RQXROKKRYDMHSM-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266279;MM266279;CNN(CCO)C(N)=O;YOLVSVPQZGUNJX-UHFFFAOYSA-N;133.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266280;MM266280;CNC(C)=NC(C)=COC;PQIMCABLVDDBGD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266281;MM266281;COC=C(C)N=C(C)NN;UPXXJQGPUOVBQC-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266282;MM266282;CC=C(C)NC(C)=NCC;FPXDHZZXYNWODC-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266283;MM266283;CCN=C(C)NC(C)=CF;UUDJMHFQPZKGFQ-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266284;MM266284;CCN=C(C)N=C(C)NC;QDZACMADFFEWQW-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266285;MM266285;CNN=C(C)N=C(C)NC;PJTYIDBEZCWJCS-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266286;MM266286;CC=C(C)OC(C)=CCC;SXXUQLSWBBAJFF-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266287;MM266287;CC(=CF)OC(C)=CCO;CTCSTSOOGCMKLU-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266288;MM266288;CC=C(C)OC(C)=COC;DLODHULCDLFSBJ-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266289;MM266289;COC=C(C)OC(C)=CF;JQDKTFQYXJOAPP-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266290;MM266290;CCC=C(C)OC(C)=NO;WSXMBSDQRQGUTO-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266291;MM266291;CC(=CCN)OC(C)=NO;YTSYJDPHWVGGPT-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266292;MM266292;CNc1nc(N)n(N)n1;LJIBMZVLGSWSCJ-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266293;MM266293;COC=C(C)OC(C)=NO;RFVCXZIKJSKFKL-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266294;MM266294;CC=C(C)OC(C)=NOC;SKSGRBPBEVUEHU-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266295;MM266295;CON=C(C)OC(C)=CF;SNYICJAYLVVLHN-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266296;MM266296;CC=C(C)CC(C)=CC=O;UXMLXVPCYLVSDQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266297;MM266297;CC=C(C)CC(C)=CC#N;JPEKVFVJAVGKPQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266298;MM266298;C=CC=C(C)CC(C)=CF;ILFRRLFOYFWBTK-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266299;MM266299;CC(=CF)CC(C)=CC=O;SKPNXKZXZRKGNK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266300;MM266300;CC(=CF)CC(C)=CC#N;LEDTWMHXAWTYFW-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266301;MM266301;CC=C(F)CC(C)=CC#N;IJBWRRDKLBDBEC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266302;MM266302;C=CC=C(C)CC(F)=CF;WEIHGNKWTTUNGL-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266303;MM266303;CC(=CC#N)CC(F)=CF;PMTGVMYOEJFMGL-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266304;MM266304;CC=C(C)CC(N)=CC=O;VRMAIMFQBRTJQB-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266305;MM266305;CC=C(C)CC(N)=CC#N;QEYKWPANQCMRTM-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266306;MM266306;CC(=CF)CC(N)=CC=O;XOQWZMFLGNSMAQ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266307;MM266307;CC(=CF)CC(N)=CC#N;YTCPFRJNAHDDCX-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266308;MM266308;NC(=CC=O)CC(F)=CF;BVBWGMQKYLPGJH-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266309;MM266309;N#CC=C(N)CC(F)=CF;XWGPKCDGSFBNLA-UHFFFAOYSA-N;144.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266310;MM266310;CC=C(F)CC(F)=CC#N;YVMKIJTVXIFCGI-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266311;MM266311;C=CC=C(C)CC(C)=NO;FHVJTNPKNIEHIC-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266312;MM266312;CC(=CC=O)CC(C)=NO;JXSREJJHJCCIQI-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266313;MM266313;CC(CC(N)=CC=O)=NO;AKGZWIMATFATJQ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266314;MM266314;C=CC=C(F)CC(C)=NO;GQVYRNCPNIHNGM-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266315;MM266315;CC(CC(F)=CC=O)=NO;LYMOHXBQKDRISQ-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266316;MM266316;CC(CC(F)=CC#N)=NO;PQIMPJGOKIPDRD-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266317;MM266317;C=NN=C(C)CC(C)=NO;NYRNGICVYQIFJE-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266318;MM266318;CN=C(C)NC(C)=CC#N;NNDNHTWSKZPOIO-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266319;MM266319;C=CC=C(C)NC(C)=NN;LSIARYDWKFKSLE-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266320;MM266320;Cc1cc(C(C)C)n[nH]1;RFAYRFKDGUMREU-UHFFFAOYSA-N;124.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266321;MM266321;CN=C(C)NC(N)=CC=O;DFBHDNMOFPOYCV-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266322;MM266322;C#CCC(=O)C1CN1C;HAEDFUVFQAWMGK-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266323;MM266323;C=CC=C(C)OC(C)=CC;QVNGGDUKHDVUIO-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266324;MM266324;CC=C(C)OC(C)=CC#N;FJVOFLBFXYIREY-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266325;MM266325;CC(=CF)OC(N)=CC#N;WABOGTUQDCNPAL-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266326;MM266326;O=CC(CO)CN1CC1;ZKIVSIUGSODVAV-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266327;MM266327;CC(=NO)OC(N)=CC#N;XSJOIFIWGKZJPY-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266328;MM266328;CON=C(C)CC(C)(C)O;NQIOJBLEQHFGOA-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266329;MM266329;C=NN=C(C)OC(C)=NO;CCSLFASEEJZZRU-UHFFFAOYSA-N;143.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266330;MM266330;C#CC=C(C)CC(C)=CC;LVACBBKRUXKPCV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266331;MM266331;C#CC=C(C)CC(C)=CF;RQRJESKEHFTQJV-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266332;MM266332;C#CC=C(C)CC(F)=CC;XWJQGLAHDCXAPO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266333;MM266333;C#CC=C(C)CC(F)=CF;QGUCASNCOPZFCP-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266334;MM266334;C#CC=C(F)CC(C)=CF;FHMDBOXNTIQJHB-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266335;MM266335;C#CC=C(F)CC(C)=NO;FUXPKOYUTNDCNH-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266336;MM266336;CON=CN(C)CC(C)O;FYJBIAMPBDRTDC-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266337;MM266337;C#CC=C(C)OC(C)=CC;VGRZNACZONOFRE-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266338;MM266338;C#CC=C(C)OC(C)=CF;YDCQAGJIOLAZSE-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266339;MM266339;CC(=CC(C)O)C(C)=NN;JAOFCFCXOULTCI-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266340;MM266340;C#CC=C(C)OC(C)=NO;CEHLQVXKJGJPPO-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266341;MM266341;CC(=CC(C)CCO)CN;DUDBQPMMBJLGGN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266342;MM266342;CC(=CC(C)CCF)CN;ABTBGVXYUJQFBC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266343;MM266343;CC(=CC(C)CCN)CF;RYWJFYITYBJEKD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266344;MM266344;N#CC(=CC(N)=O)CCO;WVQVRNVDIVFBFZ-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266345;MM266345;CC(=CC(C)CCF)CF;FCUIXMKTPAGXEJ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266346;MM266346;CCCC(C)C=C(F)CC;DJIYYYCZSJIKJL-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266347;MM266347;CCC(F)=CC(C)CCN;YGJOWQOAKIWFQJ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266348;MM266348;CC(C=C(F)CN)CCN;GHPCWFOWCQPWHT-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266349;MM266349;CC(C=C(F)CO)CCO;MCMWMOZWNIAMCT-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266350;MM266350;CCCC(N)C=C(C)CF;HMJIXXNKMNTASR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266351;MM266351;CC(=CC(N)CCF)CF;NLPWPVAHNSGNJV-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266352;MM266352;CCCC(N)C=C(F)CC;HVAHQNYSBNOFSU-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266353;MM266353;NCC(F)=CC(N)CCF;JVHKJGXXIPXQAD-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266354;MM266354;CCCC(N)C=C(F)CF;LMYFYIDVCGQDLD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266355;MM266355;NC(=O)C=NOCCCO;TXNGQTOSZGAPAI-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266356;MM266356;CCCC(O)C=C(C)CN;AXDZQUKMBUZSBL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266357;MM266357;CCCC(O)C=C(C)CO;IRBFMWUTVUFISW-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266358;MM266358;CC(=CC(O)CCO)CO;QALCNOSMYSRNRU-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266359;MM266359;CCCC(O)C=C(C)CF;XONLRIDCVFGFOX-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266360;MM266360;CCCC(O)C=C(F)CC;WDSLQAFMNRUCEK-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266361;MM266361;CCC(F)=CC(O)CCO;UVQCLOXNMYZJJF-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266362;MM266362;NCCC(O)C=C(F)CN;RQOMCKUBEHUWBX-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266363;MM266363;OCCC(O)C=C(F)CO;AHNXNRVAPBJXSC-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266364;MM266364;CCCC(O)C=C(F)CF;PVVCSTGUYOIYBC-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266365;MM266365;CCC(C)=CC(F)CCN;WTPHBJLJHHCHLZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266366;MM266366;CCC(C)=CC(F)CCF;IRLMAVLRYZFCQD-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266367;MM266367;CCCC(F)C=C(C)CN;XRZZGJTZXHSIJS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266368;MM266368;CCCC(F)C=C(C)CO;PAMCGPQSHIOMJH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266369;MM266369;CC(=CC(F)CCF)CO;KAYDGXCWDDGFMM-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266370;MM266370;CC(=CC(F)CCN)CF;WTZCGOYERJNWRX-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266371;MM266371;CC(=CC(F)CCO)CF;WLBINNZMFNDHNO-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266372;MM266372;CC(=CC(F)CCF)CF;MBFHVBLZXJCULH-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266373;MM266373;CCC(F)=CC(F)CCN;AHZDWODCBOCZAF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266374;MM266374;OCCC(F)C=C(F)CO;DYTIXURCLSNWOM-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266375;MM266375;CCCC(F)C=C(F)CF;IYMGIOMGMJRTEV-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266376;MM266376;NCCC(F)C=C(F)CF;YITDJEIPRGCIAO-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266377;MM266377;FCCC(F)C=C(F)CF;XQCRROJAIDCGSL-UHFFFAOYSA-N;156.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266378;MM266378;CCC(C)=CC(C)CNC;QFHWVHWRJFHMRX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266379;MM266379;CNCC(C)C=C(C)CO;CHAPZAXUPZLDSZ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266380;MM266380;CCC(F)=CC(C)CNC;QIFDKGWSCBOXBT-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266381;MM266381;CNCC(C)C=C(F)CN;LYNCTELAINOESF-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266382;MM266382;CNCC(C)C=C(F)CF;NNFCUZHZXWTQHO-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266383;MM266383;CNCC(N)C=C(C)CN;LAJAEKKBCKIUQT-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266384;MM266384;CNCC(O)C=C(F)CN;FKDQVDMYLSDEAO-UHFFFAOYSA-N;148.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266385;MM266385;CCC(C)=CC(F)CNC;PTSCPKAWDKEMAC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266386;MM266386;CNCC(F)C=C(C)CF;PPEPPJJBBDXIHL-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266387;MM266387;CCC(F)=CC(F)CNC;LVIJSQNEGFDDFU-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266388;MM266388;CNCC(F)C=C(F)CF;YMHGCVGDQVUGSE-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266389;MM266389;COCC(O)C=C(C)CO;QNNGVGQYFYCHLC-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266390;MM266390;COCC(F)C=C(C)CN;SLOSTONMXHYRFT-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266391;MM266391;COC(C)=CC(C)CCN;MACPETBDDWPHKO-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266392;MM266392;COC(C)=CC(N)CCN;HWLNAXBOYCKKDI-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266393;MM266393;CCCC(O)C=C(C)OC;KSUZXSATSPDHDY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266394;MM266394;COC(C)=CC(F)CCN;UAEMPESZNOQHQG-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266395;MM266395;COC(C)=CC(F)CCF;HWTRRJSRQBOOLX-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266396;MM266396;CNCC(C)C=C(C)OC;WVMWEFWQZOEACO-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266397;MM266397;CNCC(N)C=C(C)OC;IOMIGIBWMYKYRU-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266398;MM266398;CNCC(F)C=C(C)OC;MCCPPFVGIJHDHK-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266399;MM266399;COCC(O)C=C(C)OC;IHDBTXCWSMGAHP-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266400;MM266400;CCNC(C)C=C(C)CC;JBRAYPVRHHEBEG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266401;MM266401;CCNC(C)C=C(C)CO;JHGWWLMBMRWCOS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266402;MM266402;CCNC(C)C=C(C)CF;MVWLJEVIHVMTPA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266403;MM266403;CCNC(C)C=C(F)CF;NRSACWZDECMYDX-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266404;MM266404;CCOC(C)C=C(C)CO;XHIVVCPRBNGOKL-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266405;MM266405;CCCN(C)N=C(C)CC;FHNDUDJKTWPHOB-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266406;MM266406;CON=CNC=CC(C)O;SZTKYGHXROUXQD-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266407;MM266407;CNN=CCC(C)C(C)O;KXQHGOAWBMRIBY-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266408;MM266408;CCC(C)=CC(C)CC#N;HYHJDTMOPQXZAI-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266409;MM266409;C=CCC(C)C=C(C)CN;CHZIJPARHBTAEP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266410;MM266410;C=CCC(C)C=C(C)CO;YBRHBMHQQIEOOL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266411;MM266411;CC(=CC(C)CC=O)CO;OERUZBBMLOMSOE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266412;MM266412;CC(=CC(C)CC#N)CO;CQPBVUVHNNHOMV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266413;MM266413;C=CCC(C)C=C(C)CF;ZERSIHSWSPEJDM-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266414;MM266414;CC(=CC(C)CC=O)CF;XRLVLUYLNYLTDP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266415;MM266415;CC(=CC(C)CC#N)CF;DAZFYQWJIVQWQM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266416;MM266416;C=CCC(C)C=C(F)CF;XHNDXDCSAFFPPZ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266417;MM266417;CC(C=C(F)CF)CC=O;NZEKGTVQFNXXRU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266418;MM266418;C=CCC(N)C=C(C)CC;NTCXBEMUBFOMDS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266419;MM266419;C=CCC(N)C=C(F)CN;WVYOBPYACNYGSZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266420;MM266420;CON=CCC(C)C(C)O;YYUUMYHUSBNTHV-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266421;MM266421;CCC(C)=CC(O)CC#N;KLCZQFBASZLOTG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266422;MM266422;N#CCC(O)C=C(F)CO;JQCYFFBYZJBDFD-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266423;MM266423;O=CCC(O)C=C(F)CF;QZGXQOQIZLOENK-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266424;MM266424;N#CCC(O)C=C(F)CF;BNZCOAHFYCZDCW-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266425;MM266425;CCC(C)=CC(F)CC=O;VIKOEADIKKGTKW-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266426;MM266426;C=CCC(F)C=C(C)CN;QERVJQKTIZUUEL-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266427;MM266427;C=CCC(F)C=C(C)CO;UCPDPTIISSYNDY-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266428;MM266428;C=CCC(F)C=C(C)CF;ZHZYFCXCCWUWMO-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266429;MM266429;CC(=CC(F)CC=O)CF;STBSTXNOZJBHBY-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266430;MM266430;CCC(F)=CC(F)CC=O;CZVGVGBMKLNHPR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266431;MM266431;C=CCC(F)C=C(F)CO;BHTBTNQMANWNHR-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266432;MM266432;O=CCC(F)C=C(F)CO;WWRFDUJDDFCEHS-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266433;MM266433;O=CCC(F)C=C(F)CF;YXQCBSSJCNFSNC-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266434;MM266434;C=CCC(C)C=C(C)OC;PFYGKHQGHFBVPU-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266435;MM266435;COC(C)=CC(C)CC=O;VYDIGWABJCBMTH-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266436;MM266436;COC(C)=CC(C)CC#N;DJYCARWSSCZXFE-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266437;MM266437;C=CCC(N)C=C(C)OC;ICCDMEMHUFBGOE-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266438;MM266438;COC(C)=CC(F)CC=O;VJIJWLRUOFQIEY-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266439;MM266439;CCC(C)=CC(C)NC=N;ZPWLDFYYHHIKKZ-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266440;MM266440;CC(C=C(F)CF)NC=N;PFRMRTCVIROBRL-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266441;MM266441;CC(C=C(F)CF)NC=O;ONGGRPBKCVHIRC-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266442;MM266442;COC(C)=CC(C)NC=N;CNRLTWRCBPOMOL-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266443;MM266443;CCC(C)=CC(C)OC=O;MORASIROFUTBKZ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266444;MM266444;C=NOC(C)C=C(C)CN;GZTUOBHDENVCQV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266445;MM266445;CC(F)C(=CCF)C(N)=O;JGVRSLLKEODTTJ-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266446;MM266446;C=COC(C)C=C(C)OC;MLWMHZKYTZRVTQ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266447;MM266447;NC(=NCCO)C(=O)CF;CNBBBTFATBBNMA-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266448;MM266448;CCC(C)=NN(C)CC#N;GYHMLDQTEJPTAJ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266449;MM266449;C#CCC(C)C=C(C)CN;CHPXKODSEALBBT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266450;MM266450;C#CCC(C)C=C(C)CO;DFALEFBVWJJIDT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266451;MM266451;C#CCC(C)C=C(C)CF;IQNKRQULJKTPKF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266452;MM266452;C#CCC(C)C=C(F)CC;SMGCLKJGCZFWOB-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266453;MM266453;C#CCC(N)C=C(C)CO;BJCFXQHWLFFGTM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266454;MM266454;C#CCC(O)C=C(C)CN;AHTHTCZFWIGDBP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266455;MM266455;C#CCC(F)C=C(C)CN;PXAQDEIZNUZVIZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266456;MM266456;C#CCC(F)C=C(C)CO;YTHVRGFKGWJLRZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266457;MM266457;C#CCC(F)C=C(C)CF;FHETYMXSUHVUOL-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266458;MM266458;C#CCC(F)C=C(F)CC;MSSQMYMIFHUNEO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266459;MM266459;C#CCC(F)C=C(F)CO;ZGMSCKSASWMVTK-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266460;MM266460;C#CCC(F)C=C(F)CF;JQEWCUBVPWTNPC-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266461;MM266461;C#CCC(C)C=C(C)OC;TYVUJGDPAJEFEX-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266462;MM266462;C#CCC(F)C=C(C)OC;ICKODHBBALVOGH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266463;MM266463;C#CCN(C)N=C(C)CC;MSXFZOWEDVNEIW-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266464;MM266464;C=C(C=CC#N)C(=O)NC;ZPSRPYCFPJFFHX-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266465;MM266465;C=NNCCCC(O)CC;NVNCMQNQAVSMMG-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266466;MM266466;CN=CNN=CC(=O)NC;BGLPPXAPOVCKCM-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266467;MM266467;CC(C=O)=CC(C)CCF;PTIKNUUXNZEDFH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266468;MM266468;CC(C#N)=CC(C)CCF;AQCSUPQJXFFNAM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266469;MM266469;C=CC(F)=CC(C)CCN;NTSZSFWIMZRDLG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266470;MM266470;CCN(CC=O)N=CNO;JFELEPOODYIOEG-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266471;MM266471;CC(C=C(F)C=O)CCF;XNHFVYCUSPVNCN-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266472;MM266472;CC(C=C(F)C#N)CCF;SIJWJCFDTGRPGD-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266473;MM266473;C=CC(C)=CC(N)CCO;RAEVPTHYPCSSSB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266474;MM266474;C=CC(C)=CC(N)CCF;PYVLGFGOKHXCBE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266475;MM266475;C=CC(F)=CC(N)CCC;RBCBPSOWKBNWOA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266476;MM266476;C#CC(CCO)N=CNO;JJIREUKVENOWOO-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266477;MM266477;CC(C#N)=CC(O)CCO;UVBNYHRYEVBTJT-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266478;MM266478;C=CC(F)=CC(O)CCO;SNOXEDIXMVJACJ-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266479;MM266479;CCCC(O)C=C(F)C=O;YQMZUOYPBKEBTL-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266480;MM266480;C=CC(C)=CC(F)CCF;FANCCYQVMCTIKD-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266481;MM266481;CCCC(F)C=C(C)C#N;QHMCXHWLKABBEV-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266482;MM266482;CC(C=O)=CC(F)CCF;RONKUSZBCBNFPA-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266483;MM266483;C=CC(F)=CC(F)CCN;HKRLUBXASWCSHO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266484;MM266484;C=CC(F)=CC(F)CCF;NKMWSVYHDGAXKR-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266485;MM266485;O=CC(F)=CC(F)CCO;VXEGMUFICNZPGH-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266486;MM266486;O=CC(F)=CC(F)CCF;ARSYDQFBZBINJB-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266487;MM266487;C=CC(C)=CC(C)CNC;UKFQSZNCBJZXLX-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266488;MM266488;CNCC(C)C=C(C)C=O;OUVYNXHODNGJPF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266489;MM266489;CNCC(C)C=C(C)C#N;HAADBZRCKNYCGQ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266490;MM266490;C=CC(F)=CC(C)CNC;YZSDEXFRCZAGME-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266491;MM266491;CNCC(C)C=C(F)C=O;OQNXQAFWERIBFX-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266492;MM266492;C=CC(C)=CC(F)CNC;IMQSNKNHGBCAFC-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266493;MM266493;C=CC(F)=CC(F)CNC;AGJABJHUBJZPSH-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266494;MM266494;COCC(C)C=C(C)C=O;ALIQHCMQRCTOBC-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266495;MM266495;COCC(O)C=C(C)C#N;LVGSAKNZGSTAGX-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266496;MM266496;C=CC(C)=CC(C)NCC;VFPXNAZSYRSHDU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266497;MM266497;CCNC(C)C=C(C)C=O;DVXVLWBVKJCGLW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266498;MM266498;C=CC(C)=CC(C)OCC;LQPHBJLZZMDYJH-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266499;MM266499;CCCN(C)C=C(C)C=O;UJLIPKQLMFZUJO-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266500;MM266500;CCCN(C)C=C(C)C#N;XJRZNWHIMVDWGH-UHFFFAOYSA-N;138.21;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266501;MM266501;N#CCNCC(C=O)CO;AYNPNKZPGFUIIF-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266502;MM266502;CN(C=C(F)C=O)CCO;XCOCOPQJWHAFSS-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266503;MM266503;CC1CN1CC(C=O)CO;MLEILVRMXAGOOO-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266504;MM266504;C=CCC(C)C=C(C)C=C;GMDVNWKQIRSOGZ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266505;MM266505;C=CC(C)=CC(C)CC#N;OWRPHUBHLLYMDC-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266506;MM266506;C=CCC(C)C=C(C)C=O;MIHSPYMZXYONJN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266507;MM266507;C=CCC(C)C=C(C)C#N;LXFOZVXFAJAXFT-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266508;MM266508;CC(C=O)=CC(C)CC=O;OGCRNWRQHDATHM-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266509;MM266509;C=CCC(C)C=C(F)C=C;HGGRHPVBZDOFEK-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266510;MM266510;C=CCC(C)C=C(F)C=O;HLJDNRDPRNITDW-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266511;MM266511;C=CCC(C)C=C(F)C#N;DTHCEOZOZLACKP-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266512;MM266512;C=CCC(N)C=C(C)C=C;FKFWHZVEXCFJTQ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266513;MM266513;C=CCC(N)C=C(F)C=C;ZVCQTDCGXIGULS-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266514;MM266514;C=CC(C)=CC(O)CC#N;JAMXEULMWDNNBT-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266515;MM266515;CC(C=O)=CC(O)CC=O;SKHRXYYEIRDMEK-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266516;MM266516;CC(C=O)=CC(O)CC#N;IFOGHWHEUAWEAW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266517;MM266517;CC(C#N)=CC(O)CC#N;GWPJBSYZWNHSOO-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266518;MM266518;O=CCC(O)C=C(F)C=O;JLGJVUHYZCWZMO-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266519;MM266519;N#CCC(O)C=C(F)C#N;GRHFDFCQQVRBEZ-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266520;MM266520;C=CC(C)=CC(F)CC=O;DUQDOLHUSMQBMI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266521;MM266521;C=CC(C)=CC(F)CC#N;VRPOBFJEVYAYMG-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266522;MM266522;C=CCC(F)C=C(C)C=O;JWPUOGYQVJTDJD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266523;MM266523;C=CC(F)=CC(F)CC=O;GKMDJJFFVUDBNS-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266524;MM266524;C=CC(F)=CC(F)CC#N;FTVOYWWXPMSJEH-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266525;MM266525;N#CCC(F)C=C(F)C=O;KJKUVHDKJPDDLU-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266526;MM266526;N#CC(F)=CC(F)CC=O;JSLCJIWNIFXTEQ-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266527;MM266527;C=CC(F)=CC(C)NC=N;UDRZHBYYHLMGFK-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266528;MM266528;CC(C=C(F)C=O)NC=O;BUBDLRFSMGTQLK-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266529;MM266529;C#Cc1cc(N=N)[nH]c1C;PUBSYDMWXWAUKO-UHFFFAOYSA-N;133.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266530;MM266530;C=CCN(C)C=C(C)C=O;BPYMIGMOLUPHRS-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266531;MM266531;C=CCN(C)C=C(C)C#N;VODGASUHZCGWSW-UHFFFAOYSA-N;136.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266532;MM266532;CN(C=C(F)C=O)CC=O;DFLSGVSNNAMBIK-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266533;MM266533;C=C1C(C#N)C=NN1C=O;QSJVJNOHPUXQMQ-UHFFFAOYSA-N;135.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266534;MM266534;CN(C=C(F)C#N)CC#N;XTBOOQXROIGVSX-UHFFFAOYSA-N;139.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266535;MM266535;CC(C=O)=NN(C)CC#N;HJODMDAFIFKRNK-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266536;MM266536;C#CCC(=O)C1NC1CF;BAYJZMWBZMJLDA-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266537;MM266537;C#CCC(C)C=C(C)C=C;RPWSDZOUPOILNF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266538;MM266538;C#CCC(C)C=C(C)C=O;LCQOOGWAHNUVLY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266539;MM266539;C#CCC(C)C=C(C)C#N;INJKNJZXYCVMBD-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266540;MM266540;C#CCC(F)C=C(F)C=C;OYEVZMZFHZJZDB-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266541;MM266541;C#CCC(F)C=C(F)C=O;HVZSVDVYOPPRDV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266542;MM266542;C#CCC(F)C=C(F)C#N;HOGNIEVPWCAOKN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266543;MM266543;C#CCN(C)C=C(C)C=O;JDAPAHIZAUYEEA-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266544;MM266544;C#CCN(C)C=C(F)C#N;JIIOILIABANTQZ-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266545;MM266545;C#CCN(C)N=C(C)C=O;SWICSIANVNHEEE-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266546;MM266546;C#CCN(C)N=C(C)C#N;YTAWSAYDELZWSN-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266547;MM266547;C#CC(C)=CC(C)CCN;IQNXHCOYPPLDSX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266548;MM266548;C#CC(F)=CC(C)CCN;RAYAJBXASXGEFR-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266549;MM266549;C#CC(C)=CC(N)CCF;DWQJKCRQHXSPQX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266550;MM266550;C#CC(F)=CC(N)CCC;YKFMLDJHMLFKIN-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266551;MM266551;C#CC(F)=CC(N)CCN;WURUAWYOPTWYSO-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266552;MM266552;C#CC(F)=CC(N)CCO;TXSNDTSBEQOKIC-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266553;MM266553;C#CC(C)=CC(O)CCN;LJLCLZYNPVTFPJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266554;MM266554;C#CC(C)=CC(O)CCO;AUGSXOFKTBTFDQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266555;MM266555;C#CC(F)=CC(O)CCN;ZQHHXYWCXZFSHD-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266556;MM266556;C#CC(F)=CC(O)CCO;FCOGWXQGOHVPLK-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266557;MM266557;C#CC(C)=CC(F)CCN;CVOLEZGRIPCFEP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266558;MM266558;C#CC(C)=CC(F)CCF;FHFYQUUTUHBZJF-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266559;MM266559;C#CC(F)=CC(F)CCN;SRZBWEIBHFNGOS-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266560;MM266560;C#CC(F)=CC(F)CCO;WKCVFBMNSYDJTM-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266561;MM266561;C#CC(F)=CC(F)CCF;YWYLKKVXXQCYDR-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266562;MM266562;C#CC(C)=CC(C)CNC;UZZNZLZVMDKJIB-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266563;MM266563;C#CC(F)=CC(C)CNC;FGOXCPZHFPIKCW-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266564;MM266564;C#CC(F)=CC(N)CNC;HOYZMWWIHICBGN-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266565;MM266565;C#CC(F)=CC(O)CNC;WHLYTFIZDGNLTM-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266566;MM266566;C#CC(F)=CC(F)CNC;YLIZOHVJZHKQDR-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266567;MM266567;C#CC(F)=CC(O)COC;YIPWQGSCXYVBCY-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266568;MM266568;C#CC(C)=CC(C)NCC;PYNXNNKKOSVKAY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266569;MM266569;C#CC(F)=CC(C)OCC;XLCJQANJPDNPPM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266570;MM266570;C#CC(C)=NN(C)CCN;DSEGHNZRBANXNL-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266571;MM266571;OCCCCNN=CNO;RHUGWGOIXUDDGD-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266572;MM266572;C#CC(C)=CC(C)CC=C;OTFJTMWYXDUFKM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266573;MM266573;C#CC(C)=CC(C)CC=O;KBJLPNLOFNPMHL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266574;MM266574;C#CC(F)=CC(C)CC=C;IZXDVRSMZGJHFD-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266575;MM266575;C#CC(F)=CC(C)CC#N;JUQQBLWHJSRPQO-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266576;MM266576;C#CC(C)=CC(N)CC=C;HNSKSLSKCAGJHG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266577;MM266577;CON=CC(N)=O;SKNGHROBOKBHGJ-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266578;MM266578;C#CC(C)=CC(O)CC#N;FUBYXYXTMQLQMH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266579;MM266579;C#CC(F)=CC(O)CC#N;XJCYEEXGZHABBA-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266580;MM266580;C#CC(C)=CC(F)CC=O;IWVDDTWYLBPMIO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266581;MM266581;C#CC(F)=CC(F)CC=O;NYYCCUIQJZGFCC-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266582;MM266582;C#CC(C)=CC(C)NC=N;NTTYNRMOMABULX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266583;MM266583;C#CC(F)=CC(C)NC=N;AMYJPUPMXFHXHW-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266584;MM266584;C#CC(C)=CC(C)NN=C;YSLXQDRKZHDLGK-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266585;MM266585;CC(O)C=CC=NN;PFFDHQYOIIJIPE-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266586;MM266586;C#CC(C)=NN(C)CC#N;OFTHPLQDPULXLU-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266587;MM266587;C#CCC(C)C=C(C)C#C;OLZWSAVPCSLPCJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266588;MM266588;C#CCC(N)C=C(F)C#C;VVGOXLWOEWWWFX-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266589;MM266589;Cc1[nH]nc(N)c1F;VLVFUURVLVONSP-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266590;MM266590;C#CCC(O)C=C(F)C#C;JGTMMKXKOMRQON-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266591;MM266591;C#CCC(F)C=C(F)C#C;UFCDBIQLEADWEK-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266592;MM266592;C#CCN(C)N=C(C)C#C;XAFQRGFALOVMSY-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266593;MM266593;C=C(C=C(C)CC)CCC;LUWWWYAHNWTPRB-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266594;MM266594;C=C(C=C(C)CC)CCN;GBTMMBGKXASRCZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266595;MM266595;C=C(C=C(C)CN)CCF;SPFWKUMSBOPYSD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266596;MM266596;C=C(C=C(C)CO)CCC;HSCNQCPXRLSIKI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266597;MM266597;C=C(C=C(C)CO)CCF;JOYVJWOTCDHLMD-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266598;MM266598;C=C(C=C(C)CF)CCC;ZBGNBEMTNSEGOJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266599;MM266599;C=C(C=C(C)CF)CCN;RWWAQWRNLULKKQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266600;MM266600;C=C(C=C(C)CF)CCF;VLHDUZZYTZSDCA-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266601;MM266601;C=C(C=C(F)CC)CCN;GYPIFAZQPDJSRW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266602;MM266602;C=C(C=C(F)CN)CCN;MSTSGYOGVURJJN-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266603;MM266603;C=C(C=C(F)CO)CCC;UPLNVDSECWYYGH-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266604;MM266604;C=C(C=C(F)CO)CCO;MBNWJJVZXIIYAM-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266605;MM266605;C=C(C=C(F)CF)CCN;QSLGDMWCZOXBDC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266606;MM266606;CON=CCC(C)(C)O;XQBBMUSMUWVVQE-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266607;MM266607;CCCC(=O)C=C(C)CC;WESOVVMRJMYVQN-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266608;MM266608;CCC(C)=CC(=O)CCF;XBORPKCGBIMGFP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266609;MM266609;CCCC(=O)C=C(C)CO;CSHLOPRCSPDCJK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266610;MM266610;CCCC(=O)C=C(C)CF;ZUDUWJOMIVARRK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266611;MM266611;CC(=CC(=O)CCF)CF;UVTATUAMZHFIHI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266612;MM266612;CCCC(=O)C=C(N)CO;KFRHSJCEXXZBDC-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266613;MM266613;NC(=CC(=O)CCF)CO;VKQMRJJOKZEMHY-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266614;MM266614;CCCC(=O)C=C(N)CF;RKZYXNDFQSHXAA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266615;MM266615;CCCC(=O)C=C(F)CC;HORGONZCLIIXQD-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266616;MM266616;CCC(F)=CC(=O)CCO;PACHSLVVQQOXNB-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266617;MM266617;CCC(F)=CC(=O)CCF;WTTMFDHRUCNXPI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266618;MM266618;CCCC(=O)C=C(F)CF;VSQFNJSQGPVTHQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266619;MM266619;O=C(C=C(F)CF)CCF;RNOQAZNAQPRQSA-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266620;MM266620;C=C(C=C(C)CC)CNC;XHBXLVXABICDIV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266621;MM266621;C=C(C=C(F)CC)CNC;AZNRBQRRNWZBQC-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266622;MM266622;C=C(C=C(F)CN)CNC;OLADGICPELURJN-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266623;MM266623;CNCC(=O)C=C(C)CF;MMRSMFLMUZGGQL-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266624;MM266624;CCC(N)=CC(=O)CNC;FHMWAQNAUNJYLC-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266625;MM266625;CCCC(=O)C=C(C)NC;HBIIRSFOSLYTNB-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266626;MM266626;CCCC(=O)C=C(N)NC;KCTOYSFZYGKVTK-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266627;MM266627;CNCC(=O)C=C(C)NC;GGPYPIZFGDDSBE-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266628;MM266628;CNC(N)=CC(=O)COC;GVUYVTKSPVVMFN-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266629;MM266629;C=C(C=C(C)OC)CCC;YDHLBXYXXKHHEL-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266630;MM266630;C=C(C=C(C)OC)CCN;GFOMUDSPFJCNTN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266631;MM266631;CCCC(=O)C=C(C)OC;ROUIGIKRRAZHKK-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266632;MM266632;COC(C)=CC(=O)CCF;XMVGQRNSVFQOKL-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266633;MM266633;CNCC(=O)C=C(C)OC;HYEQHPNNGCWEJY-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266634;MM266634;CCNC(=N)C=C(N)CC;RSSAIIAXGUKUNS-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266635;MM266635;CCNC(=N)C=C(N)CO;PULWFZNUSJKGNL-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266636;MM266636;CC(C=CC(C)O)=NN;QULNMCVHTXMTDT-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266637;MM266637;CCNC(=O)C=C(N)CN;MXBUITGJKTZCFK-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266638;MM266638;CCNC(=O)C=C(N)CO;WBGNMHNMPPORBO-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266639;MM266639;CCNC(=O)C=C(F)CC;JDYYBOFYRZXKSV-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266640;MM266640;CCC(F)=CC(=N)NNC;BNWZLMTVHSIRDD-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266641;MM266641;CNNC(=N)C=C(F)CN;CWHBSRLKZOAKNC-UHFFFAOYSA-N;146.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266642;MM266642;CNNC(=N)C=C(F)CF;OLBGILFXZXUKEX-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266643;MM266643;CON=CNCC(C)O;SRGQZQCJCKKKMH-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266644;MM266644;CC(CO)C(=O)N(C)N;UQRVBHRCKWPSCT-UHFFFAOYSA-N;132.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266645;MM266645;C=Cn1nc(N)c(N)n1;WSNIYUORYTXVDW-UHFFFAOYSA-N;125.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266646;MM266646;CCC(N)=CC(=O)NOC;HQJGHANRZZVTKI-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266647;MM266647;CCNC(=N)C=C(N)NC;OKBJJIZFSIOHCY-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266648;MM266648;C=CC(=NN)C1CC1O;XEMXCKJLYROSQC-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266649;MM266649;CNNC(=N)C=C(N)NC;WLSPEQAGVWMAQB-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266650;MM266650;CNc1cc(NN)n[nH]1;DVCUPHRVQPQUBG-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266651;MM266651;CCNN=CCC(C)(C)O;GRGGDAGVCDCKPP-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266652;MM266652;CCON=CCC(C)(C)O;QDZDJXWHKPPJOM-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266653;MM266653;CCOC(=O)C=C(C)CC;WDKJGPAUJRARSH-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266654;MM266654;CCOC(=O)C=C(N)CO;FBILEMAFPZNAHM-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266655;MM266655;CCOC(=O)C=C(N)CF;LGUWBMAEWNZWJY-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266656;MM266656;CCOC(=O)C=C(F)CF;DQCOJLVUYNYMJU-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266657;MM266657;C=CCC(=C)C=C(C)CC;ANQYXODCSBZWSQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266658;MM266658;C=C(C=C(C)CC)CC#N;CQKWXTAXYDXLAR-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266659;MM266659;C=CCC(=C)C=C(C)CF;KUIKQLWPGYAXTO-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266660;MM266660;C=C(C=C(C)CF)CC=O;CXNIGGCGYJDWHT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266661;MM266661;C=C(C=C(F)CC)CC=O;MAJYZNPFOOXBFP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266662;MM266662;C=C(C=C(F)CC)CC#N;UCCMMPGJQJZIEX-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266663;MM266663;C=C(C=C(F)CO)CC=O;SNFUZUKMXNVDQF-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266664;MM266664;C=CCC(=C)C=C(F)CF;QQXUJXCUCLZJGA-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266665;MM266665;C=C(C=C(F)CF)CC=O;VNQNCHSDSHBEIN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266666;MM266666;CCC(N)=CC(=O)CC#N;BBMBAOCSWJFLLV-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266667;MM266667;N#CCC(=O)C=C(N)CF;MQPNGVLQFQKALM-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266668;MM266668;C=CCC(=O)C=C(F)CC;XUYURXKDTQBWRA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266669;MM266669;C=CCC(=O)C=C(F)CO;BUDWJKYOKQCACC-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266670;MM266670;C=CCC(=O)C=C(F)CF;BXJHPRJISRGOAB-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266671;MM266671;C=CCC(=O)C=C(C)NC;XMZHEXGQRGYKHR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266672;MM266672;CNC(N)=CC(=O)CC#N;MZKSPDWHMILWSP-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266673;MM266673;C=CCC(=C)C=C(C)OC;BQSCUTYLVAAQEC-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266674;MM266674;C=C(C=C(C)OC)CC=O;SERJDWUSAHFNKZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266675;MM266675;C=CCC(=O)C=C(C)OC;VJNLJPOVZCLWQL-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266676;MM266676;C=C(C=C(F)CC)NC=N;YWOKTXCTMLRIFG-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266677;MM266677;C=CNC(=N)C=C(C)CN;UPLFOECNDPMIGX-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266678;MM266678;CC(=CC(=N)NC=N)CN;QBXKMJYCZYNUDN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266679;MM266679;CC(=CC(=N)NC=O)CN;FYWNXALDAOAPNY-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266680;MM266680;CC(=CC(=N)NC=N)CO;KJBWGLQDUUGWSE-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266681;MM266681;CC(C)(O)CC=NOC=O;FFVBNLWMGXXOIG-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266682;MM266682;CC(C)N=CNOC(N)=O;NERKLTUJCKJXNI-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266683;MM266683;N=CNC(=N)C=C(N)CN;JRUZSWLQMKCWGF-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266684;MM266684;N=C(C=C(N)CN)NC=O;LKARVPDVOIXMNG-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266685;MM266685;C=CNC(=N)C=C(N)CO;MOTKPCWTRXUWLS-UHFFFAOYSA-N;141.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266686;MM266686;N=CNC(=N)C=C(N)CO;ZTTZLIMNDSGXNW-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266687;MM266687;N=C(CN)N=C(N)C(N)=O;WVYPSNHCTSXGBT-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266688;MM266688;N=CNC(=N)C=C(N)CF;WOVFMTSFRCKBTN-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266689;MM266689;CC(=NN)N=C(N)C(N)=O;QFWRCAAAWHZSGL-UHFFFAOYSA-N;143.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266690;MM266690;C=CNC(=N)C=C(F)CC;VQFSNASEYCALJT-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266691;MM266691;CCC(F)=CC(=N)NC=N;ZRTOAVWNZATABI-UHFFFAOYSA-N;143.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266692;MM266692;C=CNC(=N)C=C(F)CN;SPFDQCBTWNJWAX-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266693;MM266693;C=CNC(=N)C=C(F)CO;UEKFRKMJSFAZQC-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266694;MM266694;N=CNC(=N)C=C(F)CO;MBMZWCAHNZOJPP-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266695;MM266695;N=C(C=C(F)CO)NC=O;UCJLFVJGAWJUPW-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266696;MM266696;C=CNC(=O)C=C(C)CC;OISMPDHXBWBWHH-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266697;MM266697;CC(=CC(=O)NC=N)CN;BIIAMWJEVIAKDP-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266698;MM266698;CC(=CC(=O)NC=O)CN;WFWOALVDOFYELO-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266699;MM266699;C#CC(C)=CN(N)C(N)=O;AQBOMRZOXBOREE-UHFFFAOYSA-N;139.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266700;MM266700;C=CNC(=O)C=C(C)CF;CGKARNXSFCAQPJ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266701;MM266701;CNN=C(C)C=CC(C)O;LWQGZNSFQGDXRO-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266702;MM266702;C=CNC(=O)C=C(N)CN;ZJGYPWFMQZIELF-UHFFFAOYSA-N;141.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266703;MM266703;N=CNC(=O)C=C(N)CN;BOWSDDBPVRMPTA-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266704;MM266704;C=CNC(=O)C=C(N)CO;QXDUYOXTKXXWNJ-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266705;MM266705;CC(O)CNC(=N)C(F)F;JYGKMPNVRCRVPV-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266706;MM266706;NC(=CC(=O)NC=O)CO;JQTKUVBAVKDGEL-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266707;MM266707;CC(=NN)ON=CC(N)=O;IKHUILNNARJHJL-UHFFFAOYSA-N;144.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266708;MM266708;NC(=CC(=O)NC=O)CF;BIFSFMFURKHYIW-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266709;MM266709;CNC(=O)C=CCC(F)F;MPDRQHNWPNYPJB-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266710;MM266710;O=CNC(=O)C=C(F)CO;WKTGDRFNQUBWLK-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266711;MM266711;CC(C#N)=CNCC(C)O;VJSLILJJXRFROD-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266712;MM266712;O=CNC(=O)C=C(F)CF;CLJOSVBEYPZDII-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266713;MM266713;C=NNC(=N)C=C(C)CN;VQLHPZRUCCHZTP-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266714;MM266714;CC(O)CN1CC1(C)C#N;MIWUDTNSHQWGSA-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266715;MM266715;C#CC1(C)CN1CC(C)O;ZGRQGPIHMJSUHG-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266716;MM266716;CC(F)C=C(CF)C(N)=O;IGYMHMVDISHGDX-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266717;MM266717;C=NNC(=O)C=C(C)CN;ALSRTAJXDBRTHR-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266718;MM266718;C=NNC(=O)C=C(C)CF;UDSGGJFPQAXUFY-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266719;MM266719;CNC(N)=CC(=N)NC=N;KDHIKIJBWMFLJY-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266720;MM266720;CCCN=CNOC(N)=O;JBIQUFKNJFXHBF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266721;MM266721;CNC(C)=CC(=O)NC=O;VJQMKLQJJJIVSE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266722;MM266722;CNC(N)=CC(=O)NC=O;ZPXIGQTXDDNWTF-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266723;MM266723;C=C(C=C(C)OC)NC=N;RTZXUBOVHTXKSZ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266724;MM266724;C=C(C=C(C)OC)NC=O;XUUJLVSRIVPPFI-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266725;MM266725;C=CNC(=N)C=C(C)OC;SRXQYBWMVIZJGZ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266726;MM266726;COC(C)=CC(=N)NC=N;FWPJFKPGLYYTRC-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266727;MM266727;COC(C)=CC(=N)NC=O;VHOVLBRAEPHYQZ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266728;MM266728;C=CNC(=N)C=C(N)OC;YXWVKWRQQGQMOZ-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266729;MM266729;COC(N)=CC(=N)NC=N;OVCQOSXRYWBDJF-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266730;MM266730;C=CNC(=O)C=C(C)OC;CUBNPVDUVMQSNI-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266731;MM266731;NC(=O)C=CNN=CNO;HOUHTOVSCWGZAE-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266732;MM266732;COC(C)=CC(=O)NC=O;QJQHHBNOIJBDEH-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266733;MM266733;C=CNC(=O)C=C(N)OC;BEJFVNDKMAANBW-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266734;MM266734;COC(N)=CC(=O)NC=O;PSBGBBBGZZKCJW-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266735;MM266735;N=CNc1oc(=O)oc1F;PRPVCDIJBQAUJI-UHFFFAOYSA-N;146.08;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266736;MM266736;COC(=NN)NCC(C)O;BXFWUMCMYCXXFL-UHFFFAOYSA-N;147.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266737;MM266737;C=COC(=C)C=C(C)CN;ZJIASXUWJLGKEX-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266738;MM266738;C=COC(=C)C=C(C)CF;XRXBFQHGDPLKNN-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266739;MM266739;C=COC(=O)C=C(C)CF;QDDAUCVBHJFCRD-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266740;MM266740;C=COC(=O)C=C(N)CC;LBIWLVHSJCAERY-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266741;MM266741;C=COC(=O)C=C(N)CO;AULFERZRONWSFW-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266742;MM266742;CN=C(C#N)NCC(C)O;JLCQDEHQMNNFPQ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266743;MM266743;C=COC(=O)C=C(C)NC;OAFJPZAJAHAXFN-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266744;MM266744;C=NOC(=O)C=C(C)OC;LSCCLPUQEBUUOB-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266745;MM266745;C#CCC(=C)C=C(C)CC;OLHJUGNOQVKPBK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266746;MM266746;C#CCC(=C)C=C(C)CO;OHLAYXIEZVYGLI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266747;MM266747;C#CCC(=C)C=C(C)CF;DMEXVWURYJTBBH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266748;MM266748;C#CCC(=C)C=C(F)CO;ZEQFPHGLPGLFDU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266749;MM266749;C#CCC(=C)C=C(F)CF;KIFCKNSRSMKNCR-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266750;MM266750;C#CCC(=O)C=C(C)CF;LJZPQOGCOYCPEL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266751;MM266751;C#CCC(=O)C=C(N)CC;OPHGNEJUYGBOQL-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266752;MM266752;C#CCC(=O)C=C(F)CC;MRJYPQOSDRHSLY-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266753;MM266753;C#CCC(=O)C=C(C)OC;URCHCBVRSMQOEW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266754;MM266754;C=CC(C)=CC(=C)CCC;PRYBYCHAXJHPMQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266755;MM266755;C=CC(C)=CC(=C)CCN;JFSWWHVREZQEMR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266756;MM266756;C=C(C=C(C)C=O)CCC;OCSQINSXBLTHOE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266757;MM266757;C=C(C=C(C)C#N)CCC;SOAXLRVMGQPDJE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266758;MM266758;C=C(C=C(C)C=O)CCF;VNVTZDBKKDPEOT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266759;MM266759;C=C(C=C(C)C#N)CCF;MLHITTMWKNHNKY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266760;MM266760;C=CC(F)=CC(=C)CCN;QQCDZDFRIVBQNH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266761;MM266761;C=CC(F)=CC(=C)CCF;QMBLWPZNDYALHC-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266762;MM266762;C=C(C=C(F)C=O)CCC;USENRFHAOVOPDC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266763;MM266763;C=C(C=C(F)C#N)CCC;OCKWMEXGKGZEFD-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266764;MM266764;C=C(C=C(F)C=O)CCF;NDLKBVNNHWHCAL-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266765;MM266765;C=CC(C)=CC(=O)CCC;OZSAOLBVCSSXEC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266766;MM266766;C=CC(C)=CC(=O)CCF;ASRYZJLFRSSHTL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266767;MM266767;CCCC(=O)C=C(C)C=O;XHVFQHJMHIQPJK-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266768;MM266768;CCCC(=O)C=C(C)C#N;YADZRLUTQRGKGX-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266769;MM266769;CC(C#N)=CC(=O)CCF;QQFWOUOQQUWUPD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266770;MM266770;C=CC(N)=CC(=O)CCC;ZMGNNXCANJUBJN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266771;MM266771;CCCC(=O)C=C(N)C=O;XLNMDVNLKBLHOV-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266772;MM266772;CCCC(=O)C=C(N)C#N;YQSQGACLWAZPIR-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266773;MM266773;NC(C=O)=CC(=O)CCO;YXLLRBBRHATQPH-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266774;MM266774;N#CC(N)=CC(=O)CCO;ZBRFXSYEPKZSKF-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266775;MM266775;C=CC(F)=CC(=O)CCC;MSCFLPJRJUYZJS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266776;MM266776;C=CC(F)=CC(=O)CCO;PJPBOZHLXLGCEB-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266777;MM266777;C=CC(F)=CC(=O)CCF;KETMONMEWZRQQJ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266778;MM266778;CCCC(=O)C=C(F)C=O;ACQDRGUSRDBZCG-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266779;MM266779;CCCC(=O)C=C(F)C#N;ZUIDTTCWUVRKQL-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266780;MM266780;N#CC(F)=CC(=O)CCF;KLVVOGYWZBPUPA-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266781;MM266781;C=C(C=C(C)C#N)CNC;PNQFGIKGSWWYEI-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266782;MM266782;C=C(C=C(F)C=O)CNC;JXGUCDAXQWDQTR-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266783;MM266783;CNCC(=O)C=C(N)C#N;STWLEBCHFXHNKI-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266784;MM266784;COCC(=O)C=C(C)C#N;SODZACQZRFLIQK-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266785;MM266785;COCC(=O)C=C(F)C#N;GZTHLGXRQVHVML-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266786;MM266786;C=CC(C)=CC(=N)NCC;KIKMXHITKJCNON-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266787;MM266787;CCNC(=N)C=C(N)C#N;AVFDIJLIWLALRY-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266788;MM266788;C=CC(F)=CC(=N)NCC;PSAVFVGMRCMDKS-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266789;MM266789;CCNC(=N)C=C(F)C#N;DRGDZEZXIURBKD-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266790;MM266790;CCNC(=O)C=C(C)C#N;DRRLWCAJGFIMGP-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266791;MM266791;CC(CO)C(=O)N(N)C=O;SLEZPYXTNGKLCW-UHFFFAOYSA-N;146.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266792;MM266792;CCNC(=O)C=C(F)C#N;NNHHOKRGHDRZFM-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266793;MM266793;CNNC(=N)C=C(N)C#N;IBTSNKFEERYRJA-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266794;MM266794;CCNC(CF)C(=O)C#N;UBHVWABVGUSAIT-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266795;MM266795;C=NN(CCO)C(=O)CF;BSLUFOWWFRHHDC-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266796;MM266796;C=CC(N)=CC(=O)NOC;NQNWAGRKWMPRQA-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266797;MM266797;CONC(=O)C=C(N)C=O;PYJCQQAKUXKPPR-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266798;MM266798;COc1noc(O)c1C;FWMUVJJQDVGKRK-UHFFFAOYSA-N;129.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266799;MM266799;CCOC(=O)C=C(C)C=O;YLFXEUMFBVGYEL-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266800;MM266800;C=CCC(=C)C=C(C)C=C;SZGNKPGKDODPJG-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266801;MM266801;C=CC(C)=CC(=C)CC#N;IALYTWADLWPQPX-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266802;MM266802;C=CCC(=C)C=C(C)C=O;BJJRNWYPYLEDEW-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266803;MM266803;C=CCC(=C)C=C(C)C#N;MYVXORFVVLPIPV-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266804;MM266804;C=C(C=C(C)C=O)CC=O;YLJHPQKOMXYMDZ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266805;MM266805;C=C(C=C(C)C#N)CC=O;CBZRVYFGGFEUEF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266806;MM266806;C=C(C=C(C)C=O)CC#N;ZWQGQOHWXDZRAG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266807;MM266807;C=C(C=C(C)C#N)CC#N;MOYMCYCUMPCFNH-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266808;MM266808;C=CC(F)=CC(=C)CC=O;QXLBGDPBOPYHOV-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266809;MM266809;C=CCC(=C)C=C(F)C=O;JIJIMYJMQYUXQB-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266810;MM266810;C=C(C=C(F)C#N)CC=O;UMYSLNVVFRLOKM-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266811;MM266811;C=CCC(=O)C=C(C)C=C;JZNHYCYDGXEUBS-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266812;MM266812;C=CCC(=O)C=C(C)C=O;KYWJAVITNFVKNW-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266813;MM266813;C=CCC(=O)C=C(C)C#N;QGNSTKMSRXRUPU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266814;MM266814;C=CCC(=O)C=C(N)C=C;RDCRPYKWYSRBSS-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266815;MM266815;C=CCC(=O)C=C(N)C#N;NSSWJMLEQYATIU-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266816;MM266816;N#CCC(=O)C=C(N)C=O;OESMQNAENZEAQZ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266817;MM266817;C=CCC(=O)C=C(F)C=C;JXLIUJBHHQLAHW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266818;MM266818;C=CCC(=O)C=C(F)C=O;LEVPHFSMINJLOS-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266819;MM266819;C=CCC(=O)C=C(F)C#N;UBYNVGGWNPEZKQ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266820;MM266820;N#CCC(=O)C=C(F)C=O;QRZDABDCZAWCSE-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266821;MM266821;N#CCC(=O)C=C(F)C#N;STYCMNQZVFCGPW-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266822;MM266822;C=CC(C)=CC(=C)NC=O;OZXGTOCQFKCBHG-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266823;MM266823;C=C(C=C(F)C#N)NC=O;WPBWBLCPRRLLRM-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266824;MM266824;NN=CCC(CO)C(F)F;YEZXESBXOLFTCV-UHFFFAOYSA-N;152.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266825;MM266825;C=CNC(=N)C=C(N)C=C;JPAYGNPFVCFDFK-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266826;MM266826;C=CC(N)=CC(=N)NC=N;MZQOGCCGNNZKPF-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266827;MM266827;C=CC=CN(N=C)C(N)=O;RKJJGIBLHFXSCG-UHFFFAOYSA-N;139.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266828;MM266828;C=CNC(=N)C=C(F)C#N;WUQVOBBUJGQSPV-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266829;MM266829;C=CNC(=O)C=C(C)C=C;JLKRSIZERMXSAR-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266830;MM266830;CONC(=N)N(C=N)C=O;QCUFEZRUXVUKTQ-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266831;MM266831;C=Cc1[nH]nc(OC)c1C;TZXKDKCJWBNLIB-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266832;MM266832;C=CC(N)=CC(=O)NC=O;AIVRDWXLXGIWCK-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266833;MM266833;C=CNC(=O)C=C(N)C=O;SZNXBQYPSNHZJI-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266834;MM266834;O=C1CNCC1F;QXPXSHMZZRHSCY-UHFFFAOYSA-N;103.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266835;MM266835;NC(C=O)=CC(=O)NC=O;PSVIRAKPCOFMQK-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266836;MM266836;N#CC(N)=CC(=O)NC=O;XIAFFXHPALWIJF-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266837;MM266837;C=CNC(=O)C=C(F)C#N;SMUBJFWEAXXPSM-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266838;MM266838;CC(O)CNCC#N;KDOZWGHMLAEXIV-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266839;MM266839;Nc1nc(N)n(N)n1;CDUTYHNMJXOWSR-UHFFFAOYSA-N;114.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266840;MM266840;C=NNC(=O)C=C(F)C#N;YYTLHUHUNQOJDH-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266841;MM266841;C=COC(=C)C=C(C)C=O;DZPPUHFLGQPFKG-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266842;MM266842;C=COC(=C)C=C(C)C#N;DEOBGLZHRLMALT-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266843;MM266843;C=COC(=O)C=C(C)C=O;LZLYWZIRMSEROC-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266844;MM266844;C=COC(=O)C=C(N)C=C;BMVSZVYDIMHHMA-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266845;MM266845;C=COC(=O)C=C(F)C=C;LHTYIGZMYOHTLN-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266846;MM266846;C=COC(=O)C=C(F)C#N;YKVSZFHUXDBRDX-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266847;MM266847;C=CC(F)=CC(=O)ON=C;FHXZLEWDRCXAMJ-UHFFFAOYSA-N;143.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266848;MM266848;C=NOC(=O)C=C(F)C#N;GIEDBDFEHFNPOM-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266849;MM266849;C#CCC(=C)C=C(C)C=C;ODSQENUVRFNAKA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266850;MM266850;C#CCC(=C)C=C(C)C=O;VOMQAUBPSDBNBE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266851;MM266851;C#CCC(=C)C=C(C)C#N;DTPHZGSDWBSBJD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266852;MM266852;C#CCC(=C)C=C(F)C=C;XIKNFSBKTTWGBM-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266853;MM266853;C#CCC(=O)C=C(C)C=O;AMAPVCZCQVXJFK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266854;MM266854;C#CCC(=O)C=C(N)C=C;CENYDIMZYQWNHI-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266855;MM266855;C#CCC(=O)C=C(F)C=O;IFSFGRVXEAVGRX-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266856;MM266856;C#CC(C)=CC(=C)CCC;CDIGCHCJWUPXSW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266857;MM266857;C#CC(C)=CC(=C)CCN;FVZDVQLTGRVTRC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266858;MM266858;NC(C=O)=NCCO;GJOUYJCWECNCMR-UHFFFAOYSA-N;116.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266859;MM266859;C#CC(C)=CC(=C)CCF;NJVPFJKONWDCBS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266860;MM266860;C#CC(F)=CC(=C)CCC;ZZEXADJREZGROO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266861;MM266861;C#CC(F)=CC(=C)CCN;QKMWUINNSHMVFG-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266862;MM266862;CC(=NN)C1CC1O;NJQWASNPLNBQRS-UHFFFAOYSA-N;114.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266863;MM266863;C#CC(F)=CC(=C)CCF;DICOCURBPGIXSP-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266864;MM266864;C#CC(C)=CC(=O)CCC;KCXURRFEHLJYMS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266865;MM266865;C#CC(C)=CC(=O)CCO;PHTWLXGDHLZMHV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266866;MM266866;C#CC(C)=CC(=O)CCF;DEYIRWMTRXOONP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266867;MM266867;C#CC(F)=CC(=O)CCC;XMRBQZIURFNFMQ-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266868;MM266868;C#CC(F)=CC(=O)CCF;CVJSFMOQVQDHBZ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266869;MM266869;C#CC(C)=CC(=O)COC;XJYWSDZXSVXFTE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266870;MM266870;C#CC(F)=CC(=O)COC;AMTPQZJCVPASEK-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266871;MM266871;C#CC(C)=CC(=N)NCC;RKXUUKILRRHYFK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266872;MM266872;C#CC(F)=CC(=N)NCC;XVMIIIOTIAVFGV-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266873;MM266873;CC(O)CN(C)CC#N;VFLKMRKOODNDPC-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266874;MM266874;C#CC(F)=CC(=O)NCC;SOZMLPVHNQLXPO-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266875;MM266875;C#CC(C)=CC(=N)NNC;HTVWNSKMNYRWLI-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266876;MM266876;CC(O)CNC(C)C#N;ABEXSSZCMCSVHR-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266877;MM266877;N#CC1(CC(N)=O)CN1;WVSJYTAGZVQONO-UHFFFAOYSA-N;125.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266878;MM266878;C#CC(N)=CC(=O)OCC;DKFDMKINMJKUNJ-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266879;MM266879;C#CC(C)=CC(=C)CC=C;KETBVBDEAZLGPT-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266880;MM266880;C#CC(F)=CC(=C)CC=O;KIEZZXYMZFMTAT-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266881;MM266881;C#CC(C)=CC(=O)CC=C;PBFUPCWTRHKDNC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266882;MM266882;C#CC(N)=CC(=O)CC=C;BRQOIQZZMCNZDU-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266883;MM266883;C#CC(F)=CC(=O)CC=C;PDMIPXGBRBKIOX-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266884;MM266884;C#CC(F)=CC(=O)CC#N;LFAYFJGMGZURNY-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266885;MM266885;C#CC(C)=CC(=C)NC=N;MXVQNTBEVAOLEZ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266886;MM266886;C#CC(F)=CC(=C)NC=O;NIERSZGEXDRJRJ-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266887;MM266887;C#CC(C)=CC(=N)NC=C;HADPLVCKFGGJNJ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266888;MM266888;C#CC(N)=CC(=N)NC=C;ZUGSPZNHRNAGDP-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266889;MM266889;CN(NCCO)C(N)=O;ITVIVJNMJTXZKW-UHFFFAOYSA-N;133.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266890;MM266890;C#CC(F)=CC(=N)NC=C;JRPHSCXILRSROA-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266891;MM266891;C#CC(C)=CC(=O)NC=C;CFYFCNQPYOFMIA-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266892;MM266892;NN(C=O)C=NCCO;GRDNXOHOEIUFRK-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266893;MM266893;C#CC(N)=CC(=O)NC=O;AJXWVQASBAWUOE-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266894;MM266894;C#CC(F)=CC(=O)NC=C;RFDYIBYRFZCFAC-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266895;MM266895;C=NN(C)C=NCCO;WZWSZEMLGWSECY-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266896;MM266896;C#CC(F)=CC(=O)NN=C;BMRJOLUDXXSXJN-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266897;MM266897;C#CC(C)=CC(=C)OC=C;AAAJNWVQFBZDGM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266898;MM266898;C#CC(N)=CC(=O)OC=C;ZYNVKFVRTKPEFL-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266899;MM266899;C#CC(F)=CC(=O)OC=C;GPRGREJZCIGPCZ-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266900;MM266900;C#CC(F)=CC(=O)ON=C;ZUUIEXAKANUOOV-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266901;MM266901;C#CCC(=O)C=C(F)C#C;FIXGRDFFTBMIPR-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266902;MM266902;CC=CC(C)C=C(C)CC;QVXWGWWYRXSYOM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266903;MM266903;CC=CC(C)C=C(C)CN;OOAPCVXFDBPBCM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266904;MM266904;CC=CC(C)C=C(C)CO;XLJIBNREYFRHIR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266905;MM266905;CC=CC(C)C=C(F)CC;XAZMISBQBMXONZ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266906;MM266906;CC=CC(C)C=C(F)CO;HSMLCTQCSRKTLH-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266907;MM266907;CC=CC(C)C=C(F)CF;VSSIEZMYGLWHHR-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266908;MM266908;CC=CC(N)C=C(C)CC;CFQQQAACPSUMJQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266909;MM266909;CC=CC(N)C=C(C)CO;JRZLSPBNDMSUMV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266910;MM266910;CC(=CC(N)C=CF)CO;PYIXDRMTUYNJFS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266911;MM266911;CC=CC(N)C=C(F)CC;IBZNBXNIPUQRJI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266912;MM266912;CCC(F)=CC(N)C=CF;RCTAJHPHRQXEGX-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266913;MM266913;C=CN(N)C(=O)NCC;LHIKVERIHNVQJG-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266914;MM266914;CC=CC(O)C=C(C)CN;LFGVXYDNJPGOFS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266915;MM266915;CC=CC(O)C=C(C)CO;BCHUMRZLHNMYQJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266916;MM266916;CC=CC(O)C=C(F)CC;GCYZJCYBHRXQSU-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266917;MM266917;CC=CC(O)C=C(F)CF;HYOALLRHIWZOSC-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266918;MM266918;CC(=CC(F)C=CF)CO;VLSRGIOUFLIPDY-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266919;MM266919;CC=CC(F)C=C(F)CO;QYTKPDAUGCCXSZ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266920;MM266920;CC(=CC(C)C=NO)CN;VBDPKZQWAURUJF-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266921;MM266921;CCC(F)=CC(C)C=NN;DMUMBKJOFMDWNE-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266922;MM266922;CC(C=NO)C=C(F)CO;YHSDRHNWBBTUHU-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266923;MM266923;CC(C=NO)C=C(F)CF;AHDODUQDAAJRMS-UHFFFAOYSA-N;149.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266924;MM266924;C=CC1CN1CC(C)O;HLTBNSJEDBMZGW-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266925;MM266925;CC=CC(N)C=C(C)OC;ZZAJGNLGEGLJGY-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266926;MM266926;COC(C)=CC(N)C=CF;QEJFBEUPIOBZNX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266927;MM266927;CC(O)CN1CC1C#N;WMUZFXYEVZKIOB-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266928;MM266928;CN=CN(C)C=C(C)CO;MYBJFTVKQPFQJB-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266929;MM266929;CN=CN(C)C=C(C)CF;ODPNWWVLQLFXSP-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266930;MM266930;CCC(C)=CN(N)C=NC;AFAHGHVWAZELHX-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266931;MM266931;C#CC1CN1CC(C)O;AMBAQOSFYBUTTI-UHFFFAOYSA-N;125.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266932;MM266932;CN=CN(N)C=C(C)CF;MIHJTEWAXGJYGY-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266933;MM266933;O=CONC=NCCO;HFSCVEXGAYVXRU-UHFFFAOYSA-N;132.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266934;MM266934;CC(=CN(O)C=NO)CN;XPAKTDCHYJKEQN-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266935;MM266935;CC(=CN(O)C=NO)CO;JPJNKDPBCFSFCP-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266936;MM266936;C=C(CC(C)(C)O)C(N)=O;NORBMGUZBOLVQL-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266937;MM266937;CC(O)CNC(C)(C)C#N;KDMCNHQKOAYRDX-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266938;MM266938;CC(F)(C#N)C=CC(N)=O;MAFSRKUVTCTRQH-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266939;MM266939;C=C(F)C#CC=CC(N)=O;BJXSXLNGCPAFBO-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266940;MM266940;COC(C)=CN(O)C=NO;MWJKKQKCDQHOOW-UHFFFAOYSA-N;146.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266941;MM266941;C#CC(C)N=C(N)C(N)=O;BGOSRXZGHBFFPA-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266942;MM266942;C=CC(C)=CC(C)C=CC;OZTGWEVKRCJGQR-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266943;MM266943;CC=CC(C)C=C(C)C=O;BAHXZMRDZHEVDS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266944;MM266944;CC=CC(C)C=C(C)C#N;KQEBDHFWSVLDFB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266945;MM266945;CC(C=O)=CC(C)C=CF;YUIFIHSNYIADGT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266946;MM266946;C=CC(F)=CC(C)C=CC;VDILFSILXOGVLR-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266947;MM266947;CC=CC(C)C=C(F)C=O;IVAIEOBZZWSZFP-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266948;MM266948;CC=CC(C)C=C(F)C#N;YDHKVCDPMVMYAK-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266949;MM266949;CC(C=CF)C=C(F)C=O;GSDIWMKNRXAARC-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266950;MM266950;C=CC(C)=CC(N)C=CC;LAOPRDIGSWEGLG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266951;MM266951;C=CC(F)=CC(N)C=CC;PYSRHWUOLZHHOH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266952;MM266952;CNN(CC(N)=O)C(N)=O;HABIWGMFLKFXHH-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266953;MM266953;CC=CC(O)C=C(F)C=O;BSTXVCFRHAETFN-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266954;MM266954;CC(C=O)=CC(F)C=CF;XYKGPTLHNMPOTL-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266955;MM266955;C=CC(F)=CC(C)C=NN;FYZOLWANQZNZSD-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266956;MM266956;CC(C=NO)C=C(F)C=O;SIZWTPDKWYEOON-UHFFFAOYSA-N;145.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266957;MM266957;C#Cc1nnn(C)c1O;BVMFVRCKGABYKB-UHFFFAOYSA-N;123.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266958;MM266958;CN(C=NCCO)OC=O;ATMWZJFHNZSMAP-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266959;MM266959;NN=CN(N)C=NCCO;RXIIAZYSKPGMLR-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266960;MM266960;C=CC(C)=CN(O)C=NO;KFVDYSJGGMFHSF-UHFFFAOYSA-N;142.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266961;MM266961;CCC=NN=C(N)C(N)=O;QBVULRLXVDKVIF-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266962;MM266962;CC=NN(C)C=C(F)C=O;LINMXXADIXFIDJ-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266963;MM266963;CC=NN(C)C=C(F)C#N;QDERJELBNPMJEY-UHFFFAOYSA-N;141.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266964;MM266964;C=CC(C)=NN(C)C=NO;JAVOMCATYIXKGT-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266965;MM266965;C#CC(C)=CC(C)C=CC;HNUFPVRXNLVBBX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266966;MM266966;C#CC(F)=CC(N)C=CC;QSEZFOAJYKGIGH-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266967;MM266967;C#CC(F)=CC(N)C=CF;OJWCBAOEJWMCBR-UHFFFAOYSA-N;143.14;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266968;MM266968;C=C(C=CC)C=C(C)CC;UFAOZFKBJMBASN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266969;MM266969;C=C(C=CC)C=C(C)CN;SKQHEWJYALMFDD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266970;MM266970;C=C(C=CC)C=C(C)CO;PLXHEXRERTUQBH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266971;MM266971;C=C(C=CF)C=C(F)CO;REMZAHZQLBVQRM-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266972;MM266972;C=C(C=CC)C=C(F)CF;NQAXEHFKTZBHBY-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266973;MM266973;CC(=CC(=O)C=CF)CO;PZVPJJVURPOZIL-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266974;MM266974;CC=CC(=O)C=C(C)CF;KJBZURFYDQRRPK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266975;MM266975;CC=CC(=O)C=C(N)CC;XIZFQTVHQDSWGK-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266976;MM266976;CC=CC(=O)C=C(N)CO;MNWNYFTXKQNZPG-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266977;MM266977;NC=CC(=O)C=C(N)CO;PSWAGRMTQNRDQQ-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266978;MM266978;CC=CC(=O)C=C(N)CF;QZUDZBMGXZSYQO-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266979;MM266979;NC=CC(=O)C=C(N)CF;MFRFIKIOKTWNHN-UHFFFAOYSA-N;144.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266980;MM266980;CC=CC(=O)C=C(F)CC;QTXOXMZJANKPHR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266981;MM266981;CCC(F)=CC(=O)C=CF;UTGYOFOSLNRVBB-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266982;MM266982;CC=CC(=O)C=C(F)CF;XALPWOUVSZKAGV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266983;MM266983;C=C(C=NN)C=C(C)CF;OCMUTLXYNYJKNP-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266984;MM266984;CC=CC(=O)C=C(C)NC;IZENNMXUCALVCW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266985;MM266985;CNC(C)=CC(=O)C=CN;JJBAWWHVMAWBDG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266986;MM266986;CNC(N)=CC(=O)C=CF;CERCRLFHLLVWLK-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266987;MM266987;CNC(C)=CC(=O)C=NO;MHQYRKNYOHFWHQ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266988;MM266988;C=C(C=CC)C=C(C)OC;UFDGVLGFOAEIBU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266989;MM266989;CC=CC(=O)C=C(C)OC;VFZDCRSXYLELCT-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266990;MM266990;CC=CC(=O)C=C(N)OC;GUCZOYQRMGKRIV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266991;MM266991;C=CC(C)=CC(=C)C=CC;TZVZMATUTIEDDS-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266992;MM266992;C=CC(C)=CC(=C)C=CF;XKADRVSFOSBLJX-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266993;MM266993;C=C(C=CC)C=C(C)C=O;SEBUNEXJRXNZPX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266994;MM266994;C=C(C=CC)C=C(C)C#N;ZQRGKUTZODMKHA-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266995;MM266995;C=C(C=CC)C=C(F)C#N;PYRYBQISOROCFX-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266996;MM266996;CC=CC(=O)C=C(C)C=O;GETULYUZDAKFFF-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266997;MM266997;CC=CC(=O)C=C(C)C#N;ZCFPWHAKIZUZLC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266998;MM266998;CC(C=O)=CC(=O)C=CN;ZVHUGTLRJFPICJ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM266999;MM266999;C=CC(N)=CC(=O)C=CN;SUWHTCHGNVPRHV-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267000;MM267000;C=CC(F)=CC(=O)C=CC;VVLFQAYEPXIIID-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267001;MM267001;C=CC(F)=CC(=O)C=CF;TWIPECXREZAFMQ-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267002;MM267002;CC=CC(=O)C=C(F)C=O;DRGSIYSORYOYAM-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267003;MM267003;N#CC(F)=CC(=O)C=CN;IFHDXIAADDSMCH-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267004;MM267004;C=C(C=NO)C=C(C)C#N;DYNSISWAZLRXOI-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267005;MM267005;NC(C=O)=CC(=O)C=NO;SAAQSJAJXAGAGT-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267006;MM267006;C#CC(C)=CC(=C)C=CC;VRNVPBYHERPZAP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267007;MM267007;C#CC(C)=CC(=O)C=CC;UDSBVOQRYFVBEO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267008;MM267008;C#CC(C)=CC(=O)C=CN;OMJNHDIFCIZBTA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267009;MM267009;C#CC(N)=CC(=O)C=CN;BKZGYOWTLCJNAF-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267010;MM267010;C#CC(F)=CC(=O)C=CN;BZIQTZVCYOVBKF-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267011;MM267011;C#CC(C)=CC(=C)C=NO;XWJGZYLRTRYGLH-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267012;MM267012;CC#CC(C)C=C(C)CC;ALTBAQITOGIMNR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267013;MM267013;CC#CC(C)C=C(C)CN;BBHPLPDVUVPJSI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267014;MM267014;CC#CC(C)C=C(C)CO;SQOKFFWSQTUXJL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267015;MM267015;CC#CC(C)C=C(C)CF;PCSKFAQVUGBQAL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267016;MM267016;CC#CC(C)C=C(F)CC;TYWIKOYDFZSODV-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267017;MM267017;CC#CC(N)C=C(C)CC;XBBLRKWLPJXHIS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267018;MM267018;CC#CC(N)C=C(F)CC;ZRUCYECTPUDLIO-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267019;MM267019;CC#CC(N)C=C(F)CN;YDEHMTSMUDILKI-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267020;MM267020;CC#CC(O)C=C(C)CC;JUDPJYAPKFVXNH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267021;MM267021;CC#CC(O)C=C(C)CO;HALJINMXAZNANZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267022;MM267022;CC#CC(O)C=C(F)CF;ZIYVWJVUDHTQSY-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267023;MM267023;CC#CC(F)C=C(C)CC;VZKLIQBZOBGFSA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267024;MM267024;CC#CC(F)C=C(C)CN;ZSOIYVFKJBKPCM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267025;MM267025;CC#CC(C)C=C(C)OC;UKHDRYYSACNUKX-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267026;MM267026;CC#CC(O)C=C(C)OC;MOCVIPUKWSXLPV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267027;MM267027;CC#CC(F)C=C(C)OC;QZIFPALUZVEHHR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267028;MM267028;C=CC(C)=CC(C)C#CC;KYKDCWVYFYBJTH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267029;MM267029;CC#CC(C)C=C(C)C=O;NKHQJXWGGGHNFW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267030;MM267030;CC#CC(C)C=C(C)C#N;WQXZFFCHRQWOGE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267031;MM267031;C=CC(C)=CC(N)C#CC;JCPSJDOQQLOQCM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267032;MM267032;C=CC(F)=CC(N)C#CC;XZQCEQUODDYBEG-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267033;MM267033;C=CC(C)=CC(O)C#CC;CGDGRPDFQIUPQA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267034;MM267034;CC#CC(O)C=C(C)C=O;SRXREPHLEDQRPF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267035;MM267035;C=CC(F)=CC(O)C#CC;RCPMEZYLHVAEJE-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267036;MM267036;CC#CC(O)C=C(F)C=O;CFLAHZSBEUHKDK-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267037;MM267037;CC#CC(F)C=C(C)C=O;PLKNMEHSMDJYNH-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267038;MM267038;CC#CC(F)C=C(F)C#N;JAUUMNYAXUMTSN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267039;MM267039;C#CC(C)=CC(C)C#CC;YRQGKPANWPAWFC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267040;MM267040;C#CC(C)=CC(N)C#CC;CXAXUQBLPJRBGM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267041;MM267041;C#CC(F)=CC(N)C#CC;YSMWOJZWUOTRTL-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267042;MM267042;C#CC(C)=CC(O)C#CC;MNQXNZFNTKXWRW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267043;MM267043;C#CC(F)=CC(O)C#CC;KPNWYWVRKUNJBW-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267044;MM267044;C#CC(F)=CC(F)C#CC;VYEJJNHHKUVVKK-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267045;MM267045;C=C(C#CC)C=C(C)CC;MFSOPDXCLWZIKG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267046;MM267046;C=C(C#CC)C=C(C)CN;ZQHIAPALQLVORB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267047;MM267047;C=C(C#CC)C=C(F)CC;UHLCFPZGMPOZTJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267048;MM267048;C=C(C#CC)C=C(F)CF;QYZLJTHYLZTTAI-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267049;MM267049;CC#CC(=O)C=C(C)CC;DTAHTXWLIWSGJS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267050;MM267050;CC#CC(=O)C=C(N)CC;NFGOPHCTUFKALE-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267051;MM267051;CC#CC(=O)C=C(F)CC;IBMHUQULZWCLRF-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267052;MM267052;CC#CC(=O)C=C(C)NC;LYQWVGMFEIYFMT-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267053;MM267053;CC#CC(=O)C=C(N)NC;ARXHQKFSKWUTFS-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267054;MM267054;C=C(C#CC)C=C(C)OC;HKOSBPVABOCCKQ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267055;MM267055;C=CC(C)=CC(=C)C#CC;DUYVIWYJXSSRPS-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267056;MM267056;C=C(C#CC)C=C(C)C#N;NMBJCBUSXMLVLW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267057;MM267057;C=CC(F)=CC(=C)C#CC;LATHKKXLLMXKQI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267058;MM267058;C=C(C#CC)C=C(F)C=O;UJIXILOVMLDUSZ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267059;MM267059;CC#CC(=O)C=C(C)C=O;DLNOJEOPBSEHAW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267060;MM267060;CC#CC(=O)C=C(N)C=O;ISVFVJQFJZITNJ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267061;MM267061;CC#CC(=O)C=C(N)C#N;MYVWEJBRZUKXLG-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267062;MM267062;C=CC(F)=CC(=O)C#CC;FMAGWEPHLXFQAD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267063;MM267063;CC#CC(=O)C=C(F)C=O;BTUOHVJQZRINFI-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267064;MM267064;C#CC(C)=CC(=C)C#CC;IAOWIUGLNRCTDJ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267065;MM267065;C#CC(F)=CC(=C)C#CC;BTHVWRYMKZEBKN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267066;MM267066;C#CC(C)=CC(=O)C#CC;NFLYSMJVZHJUFH-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267067;MM267067;C#CC(F)=CC(=O)C#CC;MDMWTOMVKXQUPE-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267068;MM267068;CCC=C(C)C=C(C)CC;RXFDCHOWTZZQIE-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267069;MM267069;CCC(C)=CC(C)=CCN;LFTUNPLUBIHYFI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267070;MM267070;CCC=C(C)C=C(C)CN;WQOUAKDURRJYGQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267071;MM267071;CC(=CCN)C=C(C)CN;VQOPTHYSNMVPAH-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267072;MM267072;CC(=CCF)C=C(C)CN;ZGCPFBXWHRAJTG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267073;MM267073;CCC=C(C)C=C(C)CO;FOGJPHRWJKZCAO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267074;MM267074;CC(=CCF)C=C(C)CO;MGIXIVAZJHSNLD-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267075;MM267075;CCC=C(C)C=C(C)CF;WWXWIGBAFSNCKG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267076;MM267076;CC(=CCF)C=C(C)CF;DZCRVPITHNRWLB-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267077;MM267077;CCC=C(C)C=C(F)CC;BXTPXDVOQWCXDW-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267078;MM267078;CCC(F)=CC(C)=CCN;BHHSFTHGYXSAAZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267079;MM267079;CC(=CCN)C=C(F)CF;IQXGTDMSUFJPKR-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267080;MM267080;CCC=C(F)C=C(C)CC;SOMWOMJBTRIJCK-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267081;MM267081;CCC(C)=CC(F)=CCN;GDNSBVKJPRUKRE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267082;MM267082;CCC=C(F)C=C(C)CN;JIJQRWUEDMFWDB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267083;MM267083;CCC=C(F)C=C(C)CO;FSWTZQLMMLIWHG-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267084;MM267084;CC(=CC(F)=CCN)CF;WQPYBWWOBIDWLC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267085;MM267085;OCC=C(F)C=C(F)CO;BJWGTJOOASERKW-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267086;MM267086;NCC=C(F)C=C(F)CF;DEHUZZSQBDJXHG-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267087;MM267087;COC=C(C)C=C(C)CO;IMMTWMWPWYBNHS-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267088;MM267088;COC=C(F)C=C(F)CO;RIQMSHUHDVDCEQ-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267089;MM267089;COC=C(F)C=C(F)CF;ACSNHNVCJHVJHM-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267090;MM267090;CCC=C(C)C=C(C)OC;BREVUDBGSGLVHF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267091;MM267091;COC(C)=CC(F)=CCN;REAYWSBRXRVCKL-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267092;MM267092;COC=C(F)C=C(C)OC;NLZAVFXELVBGCP-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267093;MM267093;CNN=C(C)C=C(C)CN;IHPIMHXBTWLSBW-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267094;MM267094;CNN=C(C)C=C(N)CN;WMGFYLKBRIBXDA-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267095;MM267095;CCC(F)=CC(C)=NNC;RRLJNDJMFKGVDK-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267096;MM267096;CCC(C)=CC(C)=NOC;BBQXUVAWCYOWNM-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267097;MM267097;CON=C(C)C=C(C)CN;CEYOQCAQVMJEDX-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267098;MM267098;CCN=C(NOC)C(N)=O;HLLAPICKKZKRKD-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267099;MM267099;CON=C(C)C=C(N)CN;AACFDANCEVGRQZ-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267100;MM267100;CCC(F)=CC(C)=NOC;FXTMUPPNPCZUFF-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267101;MM267101;CC(O)CNC1(C#N)CC1;KIWVLOZQAHXRAT-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267102;MM267102;CNNC(C)=CC(=N)NC;YYQPJQGYYHLHBX-UHFFFAOYSA-N;142.21;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267103;MM267103;CON=C(C)C=C(C)OC;VEBYMQAMYXCJRP-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267104;MM267104;CCC(=N)NC(N)=NNC;BAHVEKBVXFPLAE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267105;MM267105;CCNC(=N)N=C(N)NC;HUIBRMOSUCOLPO-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267106;MM267106;CNNC(=N)N=C(N)NN;KYORJHHFPVGOIN-UHFFFAOYSA-N;145.17;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267107;MM267107;CNNC(=N)N=C(N)NO;DODBOIIRKDHCLB-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267108;MM267108;CNC(=N)NC(N)=NOC;JJXPNBKMSLZIIW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267109;MM267109;CONC(=N)N=C(N)NN;PAVYLQWGLFNCCB-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267110;MM267110;CCNC(=N)N=C(N)OC;VMJNYGLUKJZPMA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267111;MM267111;CNNC(=N)N=C(N)OC;MMQIGBUWQGWGLA-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267112;MM267112;CONC(=N)N=C(N)OC;HOJNQMWLKNEHEQ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267113;MM267113;CCC(C)=CC(C)=CC=O;JLRCVPTYFRTKHT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267114;MM267114;CCC(C)=CC(C)=CC#N;RYYMUVUHWIWGAP-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267115;MM267115;CC(=CC=O)C=C(C)CO;CQNNTHOFMJHGKD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267116;MM267116;CC(=CC=O)C=C(C)CF;DCQKYUIJGZKMPM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267117;MM267117;CC(=CC#N)C=C(C)CF;NCHRVUSSJATISG-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267118;MM267118;C=CC=C(C)C=C(F)CC;QXIURGPIISSRMT-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267119;MM267119;CCC(F)=CC(C)=CC=O;ATUDPFQSVRFDCW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267120;MM267120;CCC(F)=CC(C)=CC#N;JFMWIYBYIVMOPR-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267121;MM267121;CC(=CC#N)C=C(F)CO;IPVNZXVHABJBJY-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267122;MM267122;C=CC=C(C)C=C(F)CF;GLMWEBBRNANKKN-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267123;MM267123;CC(=CC#N)C=C(F)CF;CGMLCBJTRLFLFB-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267124;MM267124;CCC(C)=CC(N)=CC=O;NUJSUTOVMSPJGC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267125;MM267125;CCC(C)=CC(N)=CC#N;GQXLOIRIVITVSK-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267126;MM267126;CC(=CC(N)=CC#N)CF;XZMXCHSITUIOKX-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267127;MM267127;CCC(F)=CC(N)=CC#N;DUJWXDWUNUXETC-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267128;MM267128;NC(=CC=O)C=C(F)CO;SCGFHNDHCJWZRG-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267129;MM267129;N#CC=C(N)C=C(F)CF;ZORRFTDPSSNRGQ-UHFFFAOYSA-N;144.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267130;MM267130;C=CC=C(F)C=C(C)CC;KHRZEUCAKXURKA-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267131;MM267131;CCC(C)=CC(F)=CC#N;NLNZFXJVPWEBIY-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267132;MM267132;C=CC=C(F)C=C(C)CO;NZMBVDNBTDBKCM-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267133;MM267133;CC(=CC(F)=CC#N)CO;IGWMPZSKBIZCFE-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267134;MM267134;CC(=CC(F)=CC=O)CF;NRYUPKLJECQDTD-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267135;MM267135;CC(=CC(F)=CC#N)CF;IZBNJGMBURDMLO-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267136;MM267136;CCC(F)=CC(F)=CC=O;RBFPBVCPZNQREH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267137;MM267137;CCC(F)=CC(F)=CC#N;XNZVOIKTUAFRLS-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267138;MM267138;N#CC=C(F)C=C(F)CO;JLAWRMMFASLEHM-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267139;MM267139;COC(C)=CC(C)=CC=O;DAGMZMQARLCJGA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267140;MM267140;COC(C)=CC(N)=CC=O;NECDWWSSKXWTFK-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267141;MM267141;COC(C)=CC(N)=CC#N;DJJSLZNRZMXVFR-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267142;MM267142;C=CC=C(F)C=C(C)OC;QYXYCHPGSWCZDN-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267143;MM267143;COC(C)=CC(F)=CC#N;BHHXGMAZBJIZIV-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267144;MM267144;C=NNC(C)=CC(C)=NC;JYPZTTNMQCRJOK-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267145;MM267145;C=NN=C(C)C=C(C)OC;JTVMAWPVMUUYEO-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267146;MM267146;CCC(=N)NC(N)=NC=N;OOVURAQIVRTREY-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267147;MM267147;N=CN=C(N)NC(=N)CN;YJIKEIGFNFAESB-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267148;MM267148;N=C(CN)NC(N)=NC=O;XTUSECBOSVOVOU-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267149;MM267149;N=C(CO)NC(N)=NC=O;WETYPHAFQLMHRL-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267150;MM267150;C=NN=C(N)NC(=N)CN;ISMLTALQZKRZIJ-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267151;MM267151;CNC(=N)NC(N)=NC=N;KCMFAQVTNWWYQN-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267152;MM267152;CNC(=N)NC(N)=NC=O;DPOLRNFZUZLEKN-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267153;MM267153;N=CN=C(N)NC(=N)NN;GUBVPDUTAWSAKH-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267154;MM267154;N=C(NN)NC(N)=NC=O;BKRDNVSNYJKMSO-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267155;MM267155;N=CN=C(N)NC(=N)NO;LRPIFXLJJDRNIW-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267156;MM267156;N=C(NO)NC(N)=NC=O;DDHUIOYBQYMDNU-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267157;MM267157;C=NN=C(N)NC(=N)NC;MKBBCHZMMQWTIH-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267158;MM267158;C=NN=C(N)NC(=N)NN;NMDLXRHWYGIJLK-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267159;MM267159;C=NN=C(N)NC(=N)NO;SIRNSNYHQVIREK-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267160;MM267160;COC(=N)NC(N)=NC=N;LVHJYYTVAWYZQJ-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267161;MM267161;C#CC=C(C)C=C(C)CC;QZRRXILUDPAROW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267162;MM267162;C#CC=C(C)C=C(C)CN;LCZJMIHWMZIPFN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267163;MM267163;C#CC=C(C)C=C(C)CF;DCNCKSWSLSKTCG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267164;MM267164;C#CC=C(C)C=C(F)CC;XYAHKSUQIWVOIP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267165;MM267165;C#CC=C(C)C=C(F)CF;PLTMREJQHONBLS-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267166;MM267166;C#CC=C(F)C=C(C)CC;VYWLVNFHVQKTEK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267167;MM267167;C#CC=C(F)C=C(C)CO;PUNKPDVTJMDAAI-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267168;MM267168;C#CC=C(F)C=C(C)CF;GSWVRHLALIIHMX-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267169;MM267169;C#CC=C(F)C=C(F)CC;AIMBRWCLKIDHCH-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267170;MM267170;C#CC=C(C)C=C(C)OC;YQUJQLVQNBXWKP-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267171;MM267171;C#CC=C(F)C=C(C)OC;HRUUSVZGOOIGLU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267172;MM267172;C=CC(C)=CC(C)=CCC;IUBQGXDLEWJXIL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267173;MM267173;C=CC(C)=CC(C)=CCN;WLOINSGBNYTUKE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267174;MM267174;CCC=C(C)C=C(C)C=O;PHOBFHQBEYNKAL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267175;MM267175;CC(=CCF)C=C(C)C=O;FNJUXMZOZCMEEG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267176;MM267176;C=CC(F)=CC(C)=CCN;VTYGKOMXGJNITC-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267177;MM267177;CCC=C(C)C=C(F)C=O;VQXQKEIFMSOXHS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267178;MM267178;CCC=C(C)C=C(F)C#N;VVTWGTXCHKCJNT-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267179;MM267179;C=CC(C)=CC(F)=CCC;JHWNKEYGBBAIQT-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267180;MM267180;C=CC(C)=CC(F)=CCN;FBGXEZDCOSKVSI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267181;MM267181;CCC=C(F)C=C(C)C=O;YIANCSNZSCAHHX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267182;MM267182;CCC=C(F)C=C(C)C#N;ADCKCSUXIISTQE-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267183;MM267183;CC(C=O)=CC(F)=CCO;NVROTKRTNFIBER-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267184;MM267184;CC(C#N)=CC(F)=CCO;VRIUNZURDAFCKI-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267185;MM267185;C=CC(F)=CC(F)=CCN;QXTYUWZAVBMVDR-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267186;MM267186;CCC=C(F)C=C(F)C=O;QMIIRQNMQLDDSZ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267187;MM267187;O=CC(F)=CC(F)=CCO;RPCUDVMDOQDBAN-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267188;MM267188;COC=C(C)C=C(C)C#N;NSMIMVKXOAQXLY-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267189;MM267189;COC=C(F)C=C(F)C#N;MCGCMCBTRGAHAN-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267190;MM267190;CNN=C(C)C=C(C)C=O;IBTKDDPRYRNACM-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267191;MM267191;CNN=C(C)C=C(C)C#N;TWCNAMLWIHGYOT-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267192;MM267192;C=CC(C)=CC(C)=NOC;GEOYFWVBVHGVIV-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267193;MM267193;CON=C(C)C=C(C)C=O;RFFOJWFLNVMOHY-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267194;MM267194;C=CC(F)=CC(C)=NOC;YQJIXJBSZKZQMX-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267195;MM267195;CON=C(C)C=C(F)C=O;FMANIWJNPGWFGH-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267196;MM267196;CON=C(C)C=C(F)C#N;MXAPVTBWZZSNDT-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267197;MM267197;C=CC=C(C)C=C(C)C=O;CHVKFVDAQXDVKI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267198;MM267198;C=CC=C(C)C=C(C)C#N;WPYYBCRXPUGXHO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267199;MM267199;CC(=CC=O)C=C(C)C=O;PPBZWKXHTJSHGD-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267200;MM267200;CC(=CC#N)C=C(C)C=O;RESWLMGMBCXBNH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267201;MM267201;CC(C#N)=CC(C)=CC#N;PJZMZZHVDYUHKN-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267202;MM267202;C=CC=C(C)C=C(F)C=C;YRJVIVMNUNMYKG-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267203;MM267203;C=CC=C(C)C=C(F)C=O;NGCNQWYXUGINDO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267204;MM267204;CC(C=C(F)C#N)=CC#N;ZNJKKDWJMXMQJH-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267205;MM267205;C=CC(C)=CC(N)=CC=O;QWEYONGXJLWPCW-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267206;MM267206;C=CC(C)=CC(N)=CC#N;GDQCATSWRZFFKX-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267207;MM267207;CC(C#N)=CC(N)=CC#N;DQKSQYDVYYQYFS-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267208;MM267208;C=CC(F)=CC(N)=CC#N;GGKFSTBDQVOTNG-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267209;MM267209;N#CC(F)=CC(N)=CC=O;LAJWEBAMTCRYFC-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267210;MM267210;N#CC=C(N)C=C(F)C#N;ZWICLILKAMROGB-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267211;MM267211;C=CC=C(F)C=C(C)C=C;GRUFSSBGRWHDBX-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267212;MM267212;C=CC(C)=CC(F)=CC=O;ORIGPVIEQRBEGE-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267213;MM267213;C=CC(C)=CC(F)=CC#N;NOMSHMYEEMLPEE-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267214;MM267214;C=CC=C(F)C=C(C)C=O;DGDIEQBJYLOKMN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267215;MM267215;C=CC=C(F)C=C(C)C#N;NPZKGEHDKIBNQT-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267216;MM267216;CC(C=O)=CC(F)=CC=O;QHLDSSHBPZRUJI-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267217;MM267217;C=NN=C(C)C=C(C)C=O;ZOYMMKNARPTYLR-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267218;MM267218;C=NN=C(C)C=C(C)C#N;YITFCKPDLANCDP-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267219;MM267219;C=CC(N)=CC(C)=NN=C;XRAHKABBTPTVCW-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267220;MM267220;C=CC(=O)C(N)=NCCO;MVOOTWXHVKKFKL-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267221;MM267221;C=NN=C(C)C=C(F)C#N;FSKSPNRBOWPLKZ-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267222;MM267222;N#CC(=O)C(N)=NCCO;HLDGDBTXVJCOHT-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267223;MM267223;C#CC(=O)C(N)=NCCO;LENFRHVDWAZRQP-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267224;MM267224;C=CC(=N)NC(N)=NN=C;LNFOUSBLOGJNMH-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267225;MM267225;CC(=NCCO)N(C)C=O;ALEFKIJOQUYKTA-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267226;MM267226;C#CC=C(C)C=C(C)C=O;OUSVBQLJRAAYFH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267227;MM267227;C#CC=C(C)C=C(F)C=O;UYLSDXXJUXVFJK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267228;MM267228;C#CC=C(F)C=C(C)C=C;WCAXPTATPIBUQS-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267229;MM267229;C#CC=C(F)C=C(C)C#N;QRRDDQLPTCDIQL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267230;MM267230;C#CC=C(F)C=C(F)C=C;KXXAQIMXOJABRU-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267231;MM267231;C#CC(C)=CC(C)=CCC;JQUUIYHPJOGEHY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267232;MM267232;C#CC(F)=CC(C)=CCC;VSMJHPKBLXAKFC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267233;MM267233;C#CC(C)=CC(F)=CCC;LBRFYJSIRSNZKV-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267234;MM267234;C#CC(F)=CC(F)=CCC;JZYVOYRBTFDCQV-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267235;MM267235;C#CC(F)=CC(F)=COC;OFYIRGYCNLXANU-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267236;MM267236;C#CC(C)=CC(C)=NOC;IHSJLEFSBDCIHC-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267237;MM267237;C#CC(F)=CC(C)=NOC;PFYCWDJDJPNILW-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267238;MM267238;C#CC(C)=CC(C)=CC=C;MZGHCVNTXDXJJP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267239;MM267239;C#CC(F)=CC(C)=CC=C;BRUMAJSWXPXMKJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267240;MM267240;C#CC(C)=CC(N)=CC=O;VWTWNRIJOKLWHU-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267241;MM267241;C#CC(C)=CC(N)=CC#N;AREVNVWMMUECIG-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267242;MM267242;C#CC(F)=CC(N)=CC=O;RDOJDHUMJGPMCH-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267243;MM267243;C#CC(F)=CC(N)=CC#N;NWYWEVKNXAOTMO-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267244;MM267244;C#CC(C)=CC(F)=CC=C;SWKKUCLJUJWLOV-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267245;MM267245;C#CC(F)=CC(F)=CC=O;LCZCEVDMEKYGCZ-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267246;MM267246;C#CC(C)=CC(C)=NN=C;OIGGKTQDDFEICM-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267247;MM267247;C#CC(N)=CC(C)=NN=C;FFYGNCDDCHHCIW-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267248;MM267248;C#CC=C(C)C=C(F)C#C;ROIPCMZGTNXDRJ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267249;MM267249;C#CC=C(F)C=C(C)C#C;YNVHQPWAOJWYIO-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267250;MM267250;CCCC(C)=CC(C)CC;OQBJUWHKRNMKKJ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267251;MM267251;CCC(C)C=C(C)CCN;BMORBCYYZOSPTN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267252;MM267252;CC(=NCCO)N(N)C=O;DUINYAMAVFVPEH-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267253;MM267253;CC(=CC(C)CO)CCN;GMYJQIWVQORSHW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267254;MM267254;CC(=CC(C)CF)CCN;WZDKGNVZJAGSNE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267255;MM267255;CC(=CC(C)CF)CCF;GAXDEDZOJITRGA-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267256;MM267256;CCCC(C)=CC(N)CC;IEGHVKPMSAKPPT-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267257;MM267257;CC(=CC(N)CN)CCN;SFSKMNJMVMYTTI-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267258;MM267258;CCCC(C)=CC(N)CO;IGSYKSJFTKKNCL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267259;MM267259;CC(=CC(N)CO)CCN;LRNYOOHSLODOMT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267260;MM267260;CC(=CC(N)CF)CCN;NVTSGUREJPAIIK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267261;MM267261;C=NN(C)C(C)=NCCO;HLAVSWYBDDAQFD-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267262;MM267262;NC(C=O)=NC=NCCO;FSSFZRJMYMBPAL-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267263;MM267263;CCCC(C)=CC(O)CN;PLAOULCIXVDZRL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267264;MM267264;CC(=CC(O)CN)CCN;IRTMOSGWXHIKFL-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267265;MM267265;CCCC(C)=CC(O)CO;GCIVIFJYYFRQAI-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267266;MM267266;CC(=CC(O)CO)CCN;MVKXNAYJEYHATM-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267267;MM267267;CC(=CC(O)CO)CCO;XNFOPIQQJVLCQY-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267268;MM267268;CCCC(C)=CC(O)CF;WWEMWXRGUOGRMS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267269;MM267269;CCC(F)C=C(C)CCN;NENDQGWNHGZEPJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267270;MM267270;CCC(F)C=C(C)CCF;YWDCLQOHDXDIRC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267271;MM267271;CC(=CC(F)CN)CCN;ZYUPPAWZUFMZMW-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267272;MM267272;CC(=CC(F)CO)CCN;BSIRTKIEZCLZEV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267273;MM267273;CC(=CC(F)CF)CCF;WXZXKERWVYKMDC-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267274;MM267274;CCC(C)C=C(F)CCN;CSTMJONBASCARB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267275;MM267275;CCCC(F)=CC(C)CN;HCEYCXUAXACZLW-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267276;MM267276;CC(C=C(F)CCN)CN;MAUKBEIDPFVHLJ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267277;MM267277;CC(C=C(F)CCO)CN;GJSJGXJGKVWIQP-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267278;MM267278;CC(C=C(F)CCF)CN;UFULPURBJOHHDQ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267279;MM267279;CC(C=C(F)CCN)CO;KTUMPTFIAHKJPN-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267280;MM267280;CC(C=C(F)CCN)CF;XXYPQJMWFFEPKP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267281;MM267281;CC(C=C(F)CCF)CF;JVVRSWNZGHADKX-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267282;MM267282;NCC(N)C=C(F)CCF;BITDROLMCOBUGD-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267283;MM267283;NC(C=C(F)CCO)CO;ZTRKSASINXDEFN-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267284;MM267284;NC(C=C(F)CCF)CO;WFGQDBXIOKHVKS-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267285;MM267285;CCCC(F)=CC(N)CF;GNWHVUZFRXQZLN-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267286;MM267286;NC(C=C(F)CCF)CF;IYGBZBVMUUMRCG-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267287;MM267287;CCC(O)C=C(F)CCF;SNLQRTMTLBWQLI-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267288;MM267288;NCC(O)C=C(F)CCO;DEQFJONAPCZKCO-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267289;MM267289;NCC(O)C=C(F)CCF;ZKXXFJWCSANTER-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267290;MM267290;CCCC(F)=CC(O)CO;JRPJDTODQLBWAU-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267291;MM267291;OCCC(F)=CC(O)CO;HHKBAXHQFZTRCH-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267292;MM267292;CCCC(F)=CC(O)CF;INPGHOCWIJODDV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267293;MM267293;CCC(F)C=C(F)CCN;NPELWSXQMKGXJB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267294;MM267294;NCC(F)C=C(F)CCF;MBUIGMGSDMTARL-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267295;MM267295;OCC(F)C=C(F)CCF;FQEOXCPDORHAFN-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267296;MM267296;CCC(C)C=C(C)CNC;BIIFLDZLTSHPRY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267297;MM267297;CNCC(C)=CC(N)CN;IPNHHYUOQYREAB-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267298;MM267298;CNCC(C)=CC(N)CO;ZQBYCTHCIGRXSX-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267299;MM267299;CNCC(C)=CC(N)CF;HXYCSIXLEJRWPU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267300;MM267300;CNCC(C)=CC(O)CN;RFTVQLDNBCTYGN-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267301;MM267301;CNCC(C)=CC(O)CO;MJFDYORBIMDHGJ-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267302;MM267302;CCC(F)C=C(C)CNC;HHPQVPXCHRIURI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267303;MM267303;CNCC(C)=CC(F)CN;AOJOMYYSUBHULF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267304;MM267304;CNCC(C)=CC(F)CF;LSONZFSVSNHYBA-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267305;MM267305;CNCC(F)=CC(F)CN;TZMLQDKAWYJOBK-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267306;MM267306;COCC(C)=CC(C)CN;PWJWVHWZPXOVNQ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267307;MM267307;N#CC(=N)NC=NCCO;BNMPMALGFKOFML-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267308;MM267308;CCC(N)C=C(C)COC;KMZRPHGZYNUVOB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267309;MM267309;CCC(O)C=C(C)COC;IBRYDDSOERUDFV-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267310;MM267310;COCC(C)=CC(O)CN;KIBBVWRNDCGZJB-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267311;MM267311;COCC(C)=CC(O)CO;WXEVJIZHSYEAPF-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267312;MM267312;COCC(C)=CC(F)CO;ZLJSLVKTLHJAEE-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267313;MM267313;COCC(F)=CC(C)CN;UOIOCQCVRFKMKJ-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267314;MM267314;CCCC(C)=CC(C)NC;WGNQKAIKURSINQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267315;MM267315;CNC(C)C=C(F)CCF;WFQRHUJNCOIYIK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267316;MM267316;CNC(C)C=C(C)COC;DBJKGAOCQSIXJP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267317;MM267317;CNC(C)C=C(F)COC;LXTIRXURVCABHM-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267318;MM267318;CCCC(C)=CC(C)OC;NUNYUFRJKALJJY-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267319;MM267319;COC(C)C=C(F)CCN;XKVUSWOVPMRGQB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267320;MM267320;COC(C)C=C(F)CCO;FWTKQUBGKKGBRV-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267321;MM267321;CCOC(C)=CC(C)CC;MBOUFTXMQYWVHA-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267322;MM267322;CCOC(C)=CC(C)CN;YHALQKBDOUZDFN-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267323;MM267323;CCOC(C)=CC(F)CF;CMXJIOFNVDTSTA-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267324;MM267324;CCOC(C)=CC(C)OC;MQFYSCCEHBXYMT-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267325;MM267325;C=NOC(=NCCO)NC;UAZOERMFIAZZJV-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267326;MM267326;CCOC(C)=NN(C)CC;ZEZNGRBLIQRJFO-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267327;MM267327;C=CCC(C)=CC(C)CC;ONJPNYIDKUZXBO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267328;MM267328;CCC(C)C=C(C)CC=O;VAPXFDWRAMCVST-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267329;MM267329;CCC(C)C=C(C)CC#N;XPQRXMNWPUTGFX-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267330;MM267330;C=CCC(C)=CC(C)CN;JJEZOSNTKZLCJN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267331;MM267331;C=NOC(=NCCO)NN;OZAOISUWHOOQOH-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267332;MM267332;C=CNC(C=O)=NCCO;MQPWYJXSNCMDHB-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267333;MM267333;C=CN(NCC=O)C(N)=O;DOICZVINCNADEO-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267334;MM267334;C=CCC(C)=CC(C)CF;PCIBOIMZAOQJKV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267335;MM267335;CC(=CC(C)CF)CC=O;YFAWHTPNUVCQOB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267336;MM267336;C=CCC(C)=CC(N)CC;OCEWQTPQFJAXGK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267337;MM267337;CNN(C=CC=O)C(N)=O;ASYRHPBMQKUJKS-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267338;MM267338;C#CC=CN(NC)C(N)=O;WRKHHZFHYXTPMP-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267339;MM267339;CN(C)C(C=O)=NCCO;YJCLSHOLFILJKL-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267340;MM267340;C=CCC(C)=CC(O)CO;JEGIEIQSDVCEQX-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267341;MM267341;C=CCC(C)=CC(O)CF;QBKJKCFCAQGNNI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267342;MM267342;CCC(F)C=C(C)CC=O;CQLWZBQCZMKOFJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267343;MM267343;CCC(F)C=C(C)CC#N;DJVOBCQECAFMLX-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267344;MM267344;C=CCC(C)=CC(F)CN;WRDUNWNLLJVCMY-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267345;MM267345;C=CCC(C)=CC(F)CO;GKQHXYCLMUIBIC-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267346;MM267346;C=CCC(C)=CC(F)CF;GJKAGZLNETYLSA-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267347;MM267347;CC(=CC(F)CF)CC#N;LFQVGZKDSBDOMM-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267348;MM267348;C=CCC(F)=CC(C)CC;LZGKSVQLEHVROM-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267349;MM267349;C=CCC(F)=CC(C)CN;XBSICBTXIRFOHK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267350;MM267350;C=CCC(F)=CC(C)CO;JGNXDWJBKIOCER-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267351;MM267351;CC(C=C(F)CC=O)CO;OQJODTOPBUBYMW-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267352;MM267352;C=CCC(F)=CC(C)CF;HNTNXMHPJWVTRK-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267353;MM267353;CC(C=C(F)CC=O)CF;SGERXEPRKKOSJX-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267354;MM267354;C=CCC(F)=CC(N)CN;IETSNWKROBZSFG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267355;MM267355;C=CCC(F)=CC(N)CF;SXDRENZSWNQBNX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267356;MM267356;C=CCC(F)=CC(O)CC;KTDMOXWNZUNYHA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267357;MM267357;CCC(O)C=C(F)CC=O;PZTMBWRCWRJJJD-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267358;MM267358;CCC(O)C=C(F)CC#N;ZINDHSSXYOKUCH-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267359;MM267359;C=CCC(F)=CC(O)CO;KGXIYCXCMUNCKM-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267360;MM267360;N#CCC(F)=CC(O)CO;WJTFZCVMGZCHEB-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267361;MM267361;C=CCC(F)=CC(O)CF;CYFGPNJHIYURLI-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267362;MM267362;C=CCC(F)=CC(F)CN;DNXQKPPXOAUMTJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267363;MM267363;O=CCC(F)=CC(F)CF;KEGUGCFKISKQOV-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267364;MM267364;CNC(C)C=C(C)CC=O;AGFSFORSAGULHO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267365;MM267365;C=CCC(F)=CC(C)NC;HGVBTUYWIRQOHN-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267366;MM267366;CNC(C)C=C(F)CC=O;MFEUBYXJWXNOCD-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267367;MM267367;C=CCC(C)=CC(C)OC;FOODGHOYSVQJHE-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267368;MM267368;COC(C)C=C(C)CC=O;LTNWAPNYBWLYFP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267369;MM267369;COC(C)C=C(C)CC#N;MNDWBXPBJUKINW-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267370;MM267370;C=CCC(F)=CC(C)OC;RVZZBRDKXUSJPF-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267371;MM267371;COC(C)C=C(F)CC=O;XQYBJAVELVNYHA-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267372;MM267372;COC(C)C=C(F)CC#N;UMSHIHGKVLFNNS-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267373;MM267373;CC(=CC(C)CO)NC=O;KQCYIWGLHZSHCL-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267374;MM267374;CC(=CC(C)CF)NC=O;PIYGJZAVEYRZER-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267375;MM267375;CCC(O)C=C(C)NC=N;ZVJLVEYGQKCNQR-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267376;MM267376;CCC(O)C=C(C)NC=O;RABYUYCLRDDQKS-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267377;MM267377;CC(=CC(O)CN)NC=N;LBWVDJQLGMFMNJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267378;MM267378;CCC(F)C=C(C)NC=N;BHLNQVKBPOVNPF-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267379;MM267379;CCC(F)C=C(C)NC=O;LDNFPQJCMVWTBM-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267380;MM267380;CNC(C)C=C(C)NC=N;KZVNKFMILCKZBZ-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267381;MM267381;C=COC(C)=CC(C)CC;SSMJAWSSBQOUHG-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267382;MM267382;C=COC(C)=CC(C)CO;ZBTPNCYOKOVGOT-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267383;MM267383;CC(=CC(C)CO)OC=O;DMVKACJYXYKFKZ-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267384;MM267384;CCC(N)C=C(C)OC=O;KLSGYGFEPKVJGL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267385;MM267385;CC(=CC(N)CN)OC=O;HBEZPAZIZWOUPW-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267386;MM267386;CC(=CC(N)CF)OC=O;FTABFBGZLSGUJG-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267387;MM267387;C=COC(C)=CC(O)CC;FCZYOFLZEGUXKQ-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267388;MM267388;CC(=CC(O)CN)OC=O;GFHWZGNHJNXGAT-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267389;MM267389;CCC(F)C=C(C)OC=O;FAYJGBOWPVVBGQ-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267390;MM267390;CC(=CC(F)CN)OC=O;IWXKECIJGFJCHW-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267391;MM267391;C=COC(C)=CC(C)NC;HZIOPSMMWHACQC-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267392;MM267392;C=COC(C)=CC(C)OC;HUDITZSYZYVIJO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267393;MM267393;C=CNC(C)=NC(C)CO;BVKDSWPDGYPVGG-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267394;MM267394;CN(C)C(C#N)=NCCO;OBCDOUWAGXEIDL-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267395;MM267395;C=COC(C)=NN(C)CC;AMWYIXKVUBFRNE-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267396;MM267396;C#CCC(C)=CC(C)CC;RCVRUEXVSBGAKF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267397;MM267397;C#CCC(C)=CC(C)CN;ILPOLLXSIJPFBK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267398;MM267398;CON=CCC(C=O)CO;XTXFVLLRXROAIN-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267399;MM267399;C#CCC(C)=CC(C)CF;PASNFRMMZJRZRC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267400;MM267400;C#CCC(C)=CC(N)CC;SXJMHLASVXJGJS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267401;MM267401;C#CCC(C)=CC(N)CF;MFZVDGBCMLLBIR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267402;MM267402;CCN(C=O)C=NCCO;FQPRJZJTVCQLFN-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267403;MM267403;C#CCC(C)=CC(F)CN;FQDOWKTUSGPGAO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267404;MM267404;C#CCC(C)=CC(F)CF;WKOPSWFYIXWJOK-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267405;MM267405;C#CCC(F)=CC(C)CN;SMOTYKYIUKUDOD-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267406;MM267406;C#CCC(F)=CC(C)CO;MMWUGAXTFBDORM-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267407;MM267407;C#CCC(F)=CC(C)CF;VXKDUMJVJBWMOY-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267408;MM267408;C#CCC(F)=CC(N)CN;NDVKELSJVOSNNL-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267409;MM267409;C#CCC(F)=CC(O)CF;LCPIERKLXAKPQQ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267410;MM267410;C#CCC(F)=CC(F)CC;ABBNWPZWPBGVBX-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267411;MM267411;C#CCC(F)=CC(F)CN;ZRDCPGCOKFYFHO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267412;MM267412;C#CCC(F)=CC(F)CO;WBOHWXYVLGTUAR-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267413;MM267413;C#CCC(F)=CC(C)NC;OBKIKSMDMCQENN-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267414;MM267414;C#CCC(C)=CC(C)OC;SEJVDVGQSUTURD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267415;MM267415;C#CCC(F)=CC(C)OC;WIBPYBMUISEMMZ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267416;MM267416;C#CCC(C)=NN(C)CC;JFQWREDJPQLDJY-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267417;MM267417;C=CC(C)C=C(C)CCN;PDWQHKZVYITTGQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267418;MM267418;CNN(C=O)C=NCCO;QGTWJUCPGRNOJE-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267419;MM267419;CC(=CC(C)C=O)CCF;HQQFDHSLQSZQMU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267420;MM267420;C=CC(N)C=C(C)CCC;HRCFBHFPMKJKOW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267421;MM267421;C=CN(C=O)C=NCCO;YVCHODIDXVAQLN-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267422;MM267422;N=CN(C=O)C=NCCO;UQRHGEUELWQNKH-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267423;MM267423;CCCC(C)=CC(O)C#N;HMFONRVJMTUFAF-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267424;MM267424;CC(=CC(O)C#N)CCF;CNAZNXLYUBZFRW-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267425;MM267425;C=CC(F)C=C(C)CCC;GNEWDRJTBQLIBM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267426;MM267426;CCCC(C)=CC(F)C=O;FYISBJFSBUYWJD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267427;MM267427;CCCC(C)=CC(F)C#N;GKRRCZKQTMHOFM-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267428;MM267428;C=CC(C)C=C(F)CCC;CCLGTEMQZLHSRF-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267429;MM267429;C=CC(C)C=C(F)CCN;CYLKHNUMDBJOFZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267430;MM267430;CC(C=O)C=C(F)CCF;IYVHCCKMUREKAD-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267431;MM267431;C=CC(N)C=C(F)CCC;LDFGIQKTNMRDAK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267432;MM267432;C=CC(N)C=C(F)CCN;FWMLIWFYZQPOKC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267433;MM267433;C=CC(O)C=C(F)CCN;TXOXGIXTCSGOGD-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267434;MM267434;C=CC(O)C=C(F)CCF;KTCXNHXJZHEXCX-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267435;MM267435;CCCC(F)=CC(O)C=O;ALNKMMXCYFQLEK-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267436;MM267436;C=CC(F)C=C(F)CCO;AYULKBUGPRKFKQ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267437;MM267437;C=CC(C)C=C(C)CNC;CZNXQQRZTGSSPE-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267438;MM267438;CNCC(C)=CC(O)C#N;YOLMVANNSHSVGX-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267439;MM267439;C=CC(F)C=C(C)CNC;BNGYDBQETPDIBQ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267440;MM267440;CNCC(C)=CC(F)C=O;OUOLKAKWECRWGL-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267441;MM267441;COCC(C)=CC(O)C=O;PIAMLLGRXABKPH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267442;MM267442;COCC(F)=CC(C)C=O;XZUJQNJGGWXTFM-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267443;MM267443;COCC(F)=CC(C)C#N;XCNFTQYWDCIFIK-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267444;MM267444;C=CC(O)C=C(F)COC;UPDPOJUQPIVHBO-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267445;MM267445;COCC(F)=CC(O)C=O;RZQJJUCFOMSNSX-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267446;MM267446;C=CC(C)C=C(C)OCC;IZVTXWPMKBHSFL-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267447;MM267447;CCOC(C)=CC(C)C#N;UNRKFRDKVJQQIQ-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267448;MM267448;C=CC(N)C=C(C)OCC;PGMMWDUXHKVDFV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267449;MM267449;CCOC(C)=CC(O)C#N;NNSCPJUGTOIDAY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267450;MM267450;C=CC(F)C=C(C)OCC;DVIACBKDZGEEPN-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267451;MM267451;CCOC(C)=CC(F)C=O;BWPBJNRZWLFZKI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267452;MM267452;CCCC(C)=CN(C)C=N;LQAXXOHZSMPMFK-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267453;MM267453;CC(=CN(C)C=N)CCO;HESGFQFXNYGIMM-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267454;MM267454;CC(=CN(C)C=O)CCO;MEDRRMVBTSHZOK-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267455;MM267455;CC(=CN(C)C=O)CCF;DNWVGKNUYVFUQM-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267456;MM267456;CC(=CN(N)C=N)CCO;OHUSQNCNFRVZJZ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267457;MM267457;CC(=CN(N)C=O)CCF;FOPDYUAXFKJQPN-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267458;MM267458;CCCC(C)=CN(O)C=N;AJKWVFPYBGCADH-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267459;MM267459;CC(=CN(O)C=N)CCN;JWPUVXUQSHHJKP-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267460;MM267460;CC(=CN(O)C=O)CCN;VZLDSGXJSFCKAM-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267461;MM267461;CC(=CN(O)C=O)CCO;XFUBDHITGJEXIU-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267462;MM267462;CC(=CN(O)C=O)CCF;CUNLPNMIIQRHEM-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267463;MM267463;CCCC(F)=CN(C)C=O;WBWUHFSSAYRFLA-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267464;MM267464;CCCC(F)=CN(N)C=O;CEWHJFONTNXJRW-UHFFFAOYSA-N;146.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267465;MM267465;CNCC(C)=CN(N)C=N;QTGDOSNCJFTAKR-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267466;MM267466;CNCC(C)=CN(N)C=O;NQNGHPYIWGJPDY-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267467;MM267467;CNCC(C)=CN(O)C=N;JDXUVWZYJNJTLS-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267468;MM267468;CNCC(C)=CN(O)C=O;URZNQAZYYGZXEI-UHFFFAOYSA-N;144.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267469;MM267469;COCC(F)=CN(C)C=N;SOSMRMQHNLACAX-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267470;MM267470;CCOC(C)=CN(C)C=N;WBFIEFBUMVDROP-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267471;MM267471;CCOC(C)=CN(C)C=O;DDHKVBCPSGPGQD-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267472;MM267472;CC(CCN)=NN(C)C=N;MQEVMZUMDJEXNF-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267473;MM267473;CC(CCF)=NN(C)C=N;XSAIAHGOYXLMGJ-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267474;MM267474;CCCC(C)=NN(C)C=O;ZKHDUXSNGKEDAG-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267475;MM267475;C=NN(C=N)C=NCCO;LAFIZCCOHWECFF-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267476;MM267476;COCC(C)=NN(C)C=N;PPDUHRVLTFWQHO-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267477;MM267477;C=CCC(C)=CC(C)C=C;BHGAZJFEXKWEQQ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267478;MM267478;C=CC(C)C=C(C)CC=O;BCXNZECGNYLDKE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267479;MM267479;C=CC(C)C=C(C)CC#N;UVFSVRWYYASKIT-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267480;MM267480;C=CCC(C)=CC(C)C=O;GUNQAKUMNUDLEE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267481;MM267481;C=CCC(C)=CC(C)C#N;GTACWIIOEUSPAV-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267482;MM267482;CC(=CC(C)C=O)CC=O;URRIEGYYFLJOIO-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267483;MM267483;CC(=CC(C)C=O)CC#N;YJEIMLVMCUTEMA-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267484;MM267484;C=CCC(C)=CC(N)C=C;PELAPFNBGQYFGQ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267485;MM267485;C=NN(C=O)C=NCCO;BQGHAIXSNRAOQN-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267486;MM267486;CCNc1c[nH]c(CF)n1;IRBDJIGSIKNFAR-UHFFFAOYSA-N;143.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267487;MM267487;C=CC(O)C=C(C)CC#N;ZQSWUNJJIYHYHD-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267488;MM267488;C=CCC(C)=CC(O)C#N;SAIFVHRESYBQEK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267489;MM267489;C=CCC(C)=CC(F)C=C;HYZYSPUBJKDHBQ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267490;MM267490;C=CC(F)C=C(C)CC#N;QIZOHQRXTAIDNW-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267491;MM267491;C=CCC(C)=CC(F)C=O;PAGJACFMXXCLNJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267492;MM267492;C=CCC(C)=CC(F)C#N;KSBXWKGKEPSLEO-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267493;MM267493;CC(=CC(F)C#N)CC=O;FYUJUJZDGPLKNK-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267494;MM267494;CC(=CC(F)C#N)CC#N;UGRWQMKKHKDEOS-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267495;MM267495;C=CCC(F)=CC(C)C=C;ZNNQCBHNZZTCNJ-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267496;MM267496;C=CC(C)C=C(F)CC=O;MLJYURANOFSWFN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267497;MM267497;C=CC(C)C=C(F)CC#N;PGDNIUGPVPGANC-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267498;MM267498;C=CCC(F)=CC(C)C=O;DTECVWKAXARAHN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267499;MM267499;CC(C=O)C=C(F)CC=O;AOEOYLVUMFNVRV-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267500;MM267500;CC(C=O)C=C(F)CC#N;YWQKIOOIGFZXOF-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267501;MM267501;CC(C#N)C=C(F)CC#N;HJPUCKJPBLVEHL-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267502;MM267502;C=CCC(F)=CC(N)C=C;VYCGMEUJZZGDJM-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267503;MM267503;C=CCC(F)=CC(O)C=C;AIFLMENQXDTCDA-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267504;MM267504;C=CC(O)C=C(F)CC=O;BMUVPKKFFFRXTP-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267505;MM267505;C=CCC(F)=CC(O)C#N;PERSUTTVFURMAP-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267506;MM267506;O=CCC(F)=CC(O)C=O;CDPSHHBFGANHLP-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267507;MM267507;C=CC(F)C=C(F)CC=O;XVHWMJWTCMSEPM-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267508;MM267508;C=CC(F)C=C(F)CC#N;GCMQMXXCOYFIPO-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267509;MM267509;C=CCC(F)=CC(F)C=O;FNTSZTFNGJOKPD-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267510;MM267510;C=CCC(F)=CC(F)C#N;UQNGPHURHBXYDX-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267511;MM267511;CC(=CC(C)C=O)N=CN;YFEZLKFBGSFNRX-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267512;MM267512;CC(=CC(C)C#N)NC=N;DNXUWPBFHYUHQQ-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267513;MM267513;CC(=CC(C)C#N)NC=O;KNKOAIFLRSWLBN-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267514;MM267514;C=CC(N)C=C(C)NC=O;FBXTWIYAOSMUPF-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267515;MM267515;C=CC(O)C=C(C)NC=N;FCKWDURPUAOUIG-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267516;MM267516;C=CC(O)C=C(C)NC=O;PJUDDPINVAVIGY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267517;MM267517;CC(=CC(O)C#N)NC=N;BJMWCBGDKNLISV-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267518;MM267518;CC(=CC(O)C=O)NC=O;AGDBEHSABJOYKO-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267519;MM267519;CC(=CC(O)C#N)NC=O;PUBZCIJEAGRQLH-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267520;MM267520;C=COC(C)=CC(C)C=C;YWGKYHCNASSEHJ-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267521;MM267521;C=COC(C)=CC(C)C#N;XQHTYJWZMGAERJ-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267522;MM267522;C=CC(O)C=C(C)OC=O;APDKZKAGTJKOOB-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267523;MM267523;C=COC(C)=CC(O)C#N;OSDDEBYZRWHVSF-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267524;MM267524;CC(=CC(F)C#N)OC=O;ZDGPFKZWDNJUMC-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267525;MM267525;C=CNC(C)=NC(C)C=C;GMTNLRRNPPAIIP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267526;MM267526;C=CNC(C)=NC(C)C=O;SZXJLRDXLHUNBT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267527;MM267527;C=CNC(C)=NC(C)C#N;LRWGGZALKMMVPL-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267528;MM267528;C=CCC(C)=CN(C)C=N;DPSULUUYHUIMMG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267529;MM267529;CC(=CN(C)C=N)CC#N;NPPHKQNNASQLOL-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267530;MM267530;C=CCC(C)=CN(C)C=O;YGKWLLMOEWOYAX-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267531;MM267531;CC(=CN(C)C=O)CC#N;RDYGJQYKRODKHL-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267532;MM267532;C=CCC(C)=CN(N)C=O;LLKAUGVXJWWZPB-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267533;MM267533;C=CCC(C)=CN(O)C=N;SYCDVLCJSPTDTO-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267534;MM267534;C=CCC(C)=CN(O)C=O;TUEFAAFKRQPBSU-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267535;MM267535;C=CCC(F)=CN(C)C=O;SFMBNYGNVZMWEQ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267536;MM267536;CN(C=O)C=C(F)CC=O;AZWFADKNRQCKBK-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267537;MM267537;CC(=CN(C)C=N)NC=N;RGPAOZYTXRSNNS-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267538;MM267538;CC(=CN(C)C=N)NC=O;JJGSCDNWWAIZHM-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267539;MM267539;CC(=CN(C)C=O)NC=N;ZJXWPFBAPBVZAF-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267540;MM267540;CC(=CN(N)C=N)NC=O;VLPFYPNFHVIXIZ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267541;MM267541;C=COC(C)=CN(C)C=N;QHCFJQGNWYPQLG-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267542;MM267542;C=COC(C)=CN(C)C=O;LGCMGPXPHHFKFU-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267543;MM267543;C=COC(C)=CN(N)C=N;CIDLSIDREHDTBY-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267544;MM267544;C=CCC(C)=NN(C)C=O;IARKXPXKVQPNQW-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267545;MM267545;C=NN1C(C)C1C(=O)CF;WMXYLDFOEMJDDD-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267546;MM267546;C=CN=C(C)NN(C)C=N;WWYAQZGWMMZZPF-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267547;MM267547;C=CN=C(C)NN(C)C=O;VEYHYCYMYOBRCG-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267548;MM267548;C#CCC(C)=CC(C)C=C;MWLLGXQRDDTSKH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267549;MM267549;C#CCC(C)=CC(C)C=O;VSJQBPCMPZCEPL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267550;MM267550;C#CCC(C)=CC(N)C=C;ISIDYDNDRNBOAJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267551;MM267551;C#CCC(C)=CC(F)C#N;BAENDVATBCBKEM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267552;MM267552;C#CCC(F)=CC(C)C=O;HPEZBVLMUFWCOC-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267553;MM267553;C#CCC(F)=CC(N)C=C;WLRWZUGHDMIOGZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267554;MM267554;C#CCC(F)=CC(O)C=C;HZDNICQLRPIOQN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267555;MM267555;C#CCC(F)=CC(O)C=O;JJGKKZYIYLEEIE-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267556;MM267556;C#CCC(F)=CC(F)C=C;UPIMHBISSLYUJF-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267557;MM267557;C#CCC(C)=CN(N)C=N;CBIIEOYCEJGKOE-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267558;MM267558;C#CCC(C)=CN(O)C=O;OZCOJNAFGUYCGD-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267559;MM267559;C#CC(C)C=C(C)CCC;WJAIPAJVYUOIHR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267560;MM267560;C#CC(C)C=C(C)CCN;IDMUXYTZHCJOMR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267561;MM267561;C#CC(C)C=C(C)CCF;UEOCOXCYFVPXFK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267562;MM267562;C#CC(N)C=C(C)CCF;YFBZIENHNCNVII-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267563;MM267563;C#CC(O)C=C(C)CCN;LINDXTUDJHFHEB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267564;MM267564;C#CC(O)C=C(C)CCO;VSHLFCWHVBNVHB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267565;MM267565;C#CC(O)C=C(C)CCF;HEEOSUNDIWBQOZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267566;MM267566;C#CC(F)C=C(C)CCC;RUNCBOJGIRNZEC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267567;MM267567;C#CC(F)C=C(C)CCN;CCNAXOVBCSWVDN-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267568;MM267568;C#CC(C)C=C(F)CCC;DEAMNSNLFRSNSU-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267569;MM267569;C#CC(C)C=C(F)CCN;LVPRQBSRFSAVTG-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267570;MM267570;C#CC(N)C=C(F)CCO;RGQKPYDBRRGUOP-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267571;MM267571;C#CC(O)C=C(F)CCC;TUGYGYYCDZTPCE-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267572;MM267572;C#CC(O)C=C(F)CCO;FUISUSDDFMKULI-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267573;MM267573;C#CC(O)C=C(F)CCF;DDWNGQPWXCQZBV-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267574;MM267574;C#CC(F)C=C(F)CCN;JBDUUMOJFJJUHQ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267575;MM267575;C#CC(F)C=C(F)CCO;UCLRSDLUGBIDJY-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267576;MM267576;C#CC(O)C=C(C)CNC;BLLZKSBGIKUQOU-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267577;MM267577;C#CC(F)C=C(C)CNC;KRVMAQMWRWAODI-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267578;MM267578;C#CC(N)C=C(F)CNC;HMSGXSGXSOIGLR-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267579;MM267579;C#CC(N)C=C(F)COC;ZTGQXIYPKIBQTI-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267580;MM267580;C#CC(C)C=C(C)OCC;JYBOKRPCQHTFOE-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267581;MM267581;C#CC(F)C=C(C)OCC;ILEHNDVKBAROKS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267582;MM267582;C#CC(C)C=C(C)CC=C;WFZRHTIIZSUDRE-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267583;MM267583;C#CC(C)C=C(C)CC=O;SKYZXCUOSKRJAS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267584;MM267584;C#CC(C)C=C(C)CC#N;OBLSKGAIYHNFOJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267585;MM267585;C#CC(N)C=C(C)CC=C;MHSMNXNSDJCHIR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267586;MM267586;C#CC(O)C=C(C)CC=C;PKPQQOOAJYDLJE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267587;MM267587;C#CC(F)C=C(C)CC=C;NDWMCLDWSXIXSN-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267588;MM267588;C#CC(F)C=C(C)CC=O;XMJIWWMKSJBEFL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267589;MM267589;C#CC(F)C=C(C)CC#N;KPGKCXDJUDLCHC-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267590;MM267590;C#CC(C)C=C(F)CC=C;ZEJJLSNQNOESEX-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267591;MM267591;C#CC(C)C=C(F)CC=O;INKPTSSITYOLSK-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267592;MM267592;C#CC(C)C=C(F)CC#N;BGEKNWDOAHMOFV-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267593;MM267593;C#CC(N)C=C(F)CC=C;TYFOQTTUYUSKHX-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267594;MM267594;C#CC(O)C=C(F)CC=C;IAPRSUWHRQFRMR-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267595;MM267595;C#CC(O)C=C(F)CC#N;WIFBOHVYIULIKZ-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267596;MM267596;C#CC(F)C=C(F)CC=C;WHNJAUPQXOVPDY-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267597;MM267597;C#CC(F)C=C(F)CC=O;NDDARWAGSZULLB-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267598;MM267598;C#CC(O)C=C(C)NC=N;XOWJYVQJSCYHQH-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267599;MM267599;C#CC(F)C=C(C)NC=O;GIKMABYYELPOTJ-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267600;MM267600;C#CC(C)C=C(C)OC=O;OURQISDMCMBRTD-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267601;MM267601;C#CC(F)C=C(C)OC=O;IGYMZPIVRVUEEC-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267602;MM267602;C#CC(C)N=C(C)NC=C;IENNIYJFTABOTK-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267603;MM267603;C#CCC(C)=CC(C)C#C;SZTDGUVSRVUCGT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267604;MM267604;C#CCC(C)=CC(N)C#C;HANWTQIPWQOORY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267605;MM267605;C#CCC(C)=CC(O)C#C;XMHMBNKKDNHQBZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267606;MM267606;C=C(C=C(C)CCC)CC;BAQFHAJVWLPHQP-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267607;MM267607;C=C(C=C(C)CCC)CN;FTJQAZHIOZATBN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267608;MM267608;C=C(C=C(C)CCC)CO;XUTJAWULZBSENL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267609;MM267609;CCC(=O)C=C(C)CCF;OLDXCJCSDKYSKF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267610;MM267610;CC(=CC(=O)CF)CCF;XJDSYSUEKKVIMW-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267611;MM267611;CCCC(N)=CC(=O)CC;TZOQKOBUPZSOPE-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267612;MM267612;CCCC(N)=CC(=O)CO;LCIBMJHZUAOVMJ-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267613;MM267613;CCCC(N)=CC(=O)CF;FYFJUKPNUNHULL-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267614;MM267614;NC(=CC(=O)CF)CCF;QCHQGSWYUMYDIB-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267615;MM267615;C=C(C=C(F)CCC)CC;RCEYKHPMGSPCKB-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267616;MM267616;C=C(C=C(F)CCN)CC;ZHWRLMGEMRLQAA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267617;MM267617;C=C(C=C(F)CCC)CN;GTHBJJIKRMLFBO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267618;MM267618;C=C(C=C(F)CCN)CN;WBVYEYICHAFJRO-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267619;MM267619;C=C(C=C(F)CCF)CN;SXBIJOZODZDBCK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267620;MM267620;C=C(C=C(F)CCC)CO;KWOZGOYICCXDJS-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267621;MM267621;C=C(C=C(F)CCC)CF;RSAKWHNSTFQTIS-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267622;MM267622;C=C(C=C(F)CCO)CF;NWQXMRWOBODGCX-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267623;MM267623;CCC(=O)C=C(F)CCO;SYZDMRYLUYXTIN-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267624;MM267624;C=C(C=C(C)CNC)CC;QDEJXAIRUPXBEM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267625;MM267625;C=C(C=C(C)CNC)CF;JPBQQTPKXJICGP-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267626;MM267626;CCC(=O)C=C(C)CNC;SVQGHYREZIKLHB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267627;MM267627;CC(=CC(=N)NN)CCF;ZGOIOPFVHMWJSS-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267628;MM267628;CC(=CC(=N)NO)CCF;GZSWWESOFBGMPQ-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267629;MM267629;CNC(=O)C=NN;SFNWVKKTUCMNGR-UHFFFAOYSA-N;101.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267630;MM267630;NN=CC1CC1O;NRWBHVOMOBESDB-UHFFFAOYSA-N;100.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267631;MM267631;CCCC(C)=CC(=O)NO;XHFVWZXQVUGCST-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267632;MM267632;CNC(=N)C=C(N)CCO;JDIUVXROSMZJKM-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267633;MM267633;N=C(C=C(N)CCO)NO;YNRUQOYJNGERII-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267634;MM267634;CNC(=O)C=C(N)CCN;SAGLRYQGDACZHQ-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267635;MM267635;OCC1C=NOC1;HVQKAWQFUMRUIP-UHFFFAOYSA-N;101.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267636;MM267636;CCCC(N)=CC(=O)NO;FVXHZJBRGGGLLH-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267637;MM267637;NCCC(N)=CC(=O)NO;OXGZXBSKTAGEJF-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267638;MM267638;NC(=CC(=O)NO)CCO;LGZRTFIGVDJROQ-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267639;MM267639;CCCC(F)=CC(=N)NC;ULRPILJSDYADSZ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267640;MM267640;CCCC(F)=CC(=N)NN;HNQNDYHRAXMPLL-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267641;MM267641;N=C(C=C(F)CCF)NN;BOTCGTLOOXBKOM-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267642;MM267642;CNCC(C)=CC(=N)NC;ABNRQROWDKVNML-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267643;MM267643;CNCC(C)=CC(=N)NN;CLMVWGMGYHUFPA-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267644;MM267644;CNCC(C)=CC(=N)NO;NFMYUDUPRLDDEG-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267645;MM267645;CNCC(C)=CC(=O)NN;ILGFHJKSZUSQLC-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267646;MM267646;CNCC(C)=CC(=O)NO;VZHSKZZXRRWQOS-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267647;MM267647;COCC(N)=CC(=N)NN;GOASLARXUBEUSE-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267648;MM267648;COCC(N)=CC(=N)NO;GPXVIRNSOZFHRP-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267649;MM267649;CN=CN(N)C(N)=O;XTEFEBLUIHJRCI-UHFFFAOYSA-N;116.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267650;MM267650;COCC(F)=CC(=N)NN;SUVYOTYGHYXPPP-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267651;MM267651;C=C(C=C(C)CCN)OC;GAOWMKSLDUSUHF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267652;MM267652;CNN=CC1CC1O;HYWHOYICNVPWSB-UHFFFAOYSA-N;114.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267653;MM267653;CON=CC1CC1O;HHSOGKIZMXNKRS-UHFFFAOYSA-N;115.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267654;MM267654;CCCC(N)=CC(=O)OC;GLHATHZBPJZOFM-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267655;MM267655;C=C(C=C(F)CCC)OC;PTWVSYBYOJTHIZ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267656;MM267656;C=C(C=C(C)CNC)OC;CCSAZTQMQCRZEN-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267657;MM267657;COCC(N)=CC(=O)OC;OWTRFJCXIPFNJI-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267658;MM267658;C=CC(=O)NCC(=C)F;BVZBYSWRTMMPAG-UHFFFAOYSA-N;129.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267659;MM267659;CCNC(C)=CC(=O)NO;UWHPMCTUVGPHMU-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267660;MM267660;CCNC(N)=CC(=N)NC;JQRHSKRHUOYFBX-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267661;MM267661;CCNC(N)=CC(=N)NN;HDDYSIXMYRDRFY-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267662;MM267662;CCNC(N)=CC(=N)NO;JHGBBEKFXJPPPV-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267663;MM267663;CC(=NN)N(N)C(N)=O;MBWGYQQTLXDPET-UHFFFAOYSA-N;131.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267664;MM267664;CCNC(N)=CC(=O)NO;WTMBQIAHNYGMJL-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267665;MM267665;CCNC(C)=CC(=O)OC;CCLSSOPVHNHJHQ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267666;MM267666;CCNC(N)=CC(=O)OC;LDPHRBHRJHNNIA-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267667;MM267667;C=C(C=C(C)OCC)CC;HJPSYUYJFLGUTM-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267668;MM267668;C=C(C=C(C)OCC)CN;NPMRCEZIZYYIDN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267669;MM267669;C=C(C=C(C)OCC)CF;SPDNFQPDVSUQCH-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267670;MM267670;CCOC(C)=CC(=O)CF;HWPRMVNSKMACSC-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267671;MM267671;CCOC(C)=CC(=N)NC;OVUAHDKCSPQYGP-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267672;MM267672;CCOC(C)=CC(=N)NN;BCZACIPTUQTTIX-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267673;MM267673;CNN(C=NN)C(N)=O;VCWDOYIFSHNAIF-UHFFFAOYSA-N;131.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267674;MM267674;CCOC(N)=CC(=N)NN;LDHFIDNCJDLVRN-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267675;MM267675;C=CC(=O)NC1CC1F;CUQYJFBMENMTIV-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267676;MM267676;CCOC(N)=CC(=O)NO;DCYNLHIMYMODTD-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267677;MM267677;C=C(C=C(C)OCC)OC;VJWGUXMBMOOFKU-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267678;MM267678;CCOC(C)=CC(=O)OC;ORXGGVRQTQZUJW-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267679;MM267679;CCOC(N)=CC(=O)OC;BXHXCLSRWTYWNA-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267680;MM267680;C=CCC(C)=CC(=C)CC;VIYMPOVRSKXXGA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267681;MM267681;C=CCC(C)=CC(=C)CN;SRKPNIMEHLXKHF-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267682;MM267682;C=CCC(C)=CC(=C)CO;WNHFQXLGUCWNRU-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267683;MM267683;C=C(C=C(C)CC=O)CO;KCTMDVRFILSELT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267684;MM267684;C=C(C=C(C)CC#N)CO;KASLNFYMMOFMDJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267685;MM267685;C=C(C=C(C)CC#N)CF;BMLQBXBTIWFLOF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267686;MM267686;C=CCC(C)=CC(=O)CC;JSWFPBGCUIMSFT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267687;MM267687;CCC(=O)C=C(C)CC=O;NHABHJDTWTVHCX-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267688;MM267688;CCC(=O)C=C(C)CC#N;FCMCCIOLEUEMKD-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267689;MM267689;C=CCC(C)=CC(=O)CF;ZFXRGSMPFWJEGD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267690;MM267690;C=CCC(N)=CC(=O)CC;UIKKTRWTPDOBBC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267691;MM267691;N#CCC(N)=CC(=O)CF;KIUKHPZVHGTKSS-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267692;MM267692;C=CCC(F)=CC(=C)CC;RFAQAAZLXNOREG-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267693;MM267693;C=C(C=C(F)CC=O)CC;FPMRRDFQXVWAFQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267694;MM267694;C=CCC(F)=CC(=C)CN;LECODVGHTKITNP-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267695;MM267695;C=CCC(F)=CC(=C)CF;CCLYUHQCISMLCS-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267696;MM267696;C=C(C=C(F)CC#N)CF;HPUQZMNIAAJISH-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267697;MM267697;C=CCC(F)=CC(=O)CC;AHDXMXANETVFHG-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267698;MM267698;CCC(=O)C=C(F)CC=O;JBKUJVLGLDDFCH-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267699;MM267699;C=CCC(F)=CC(=O)CO;OQXPPOATDXISDC-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267700;MM267700;C=CCC(C)=CC(=N)NC;VRMBJJDCSXEGFU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267701;MM267701;C=CCC(C)=CC(=N)NN;RRDWURMHSBLGAN-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267702;MM267702;C=CCC(C)=CC(=N)NO;VICDGKAOVTXCQM-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267703;MM267703;CCc1[nH]nc(F)c1C;UFMSJBOAUNMEPW-UHFFFAOYSA-N;128.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267704;MM267704;N#CC(=CN)C1CC1O;RUJHNTQPXRUJES-UHFFFAOYSA-N;124.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267705;MM267705;CC(=CC(=O)NO)CC=O;DPLHSUOFOMCHOI-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267706;MM267706;N#CCC(N)=CC(=N)NO;JHIFNDCPOZFTAD-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267707;MM267707;C=CCC(F)=CC(=N)NC;FYPQARLUACLLNM-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267708;MM267708;C=CCC(F)=CC(=N)NN;OYSBCACLIQKHGI-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267709;MM267709;C=CCC(F)=CC(=O)NC;SJSYVPRSENRWLT-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267710;MM267710;C=CCC(C)=CC(=C)OC;XMUDYQSNYNAEIS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267711;MM267711;C=C(C=C(C)CC=O)OC;USJOVDIEIPTEGK-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267712;MM267712;C=C(C=C(C)CC#N)OC;KDKUWAHCJJAYNV-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267713;MM267713;C=CCC(C)=CC(=O)OC;MGUBOFYMSNXFOO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267714;MM267714;C=CCC(F)=CC(=O)OC;IZLOEYUFTRJONU-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267715;MM267715;COC(=O)C=C(F)CC=O;NCNFJFADOFCMCU-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267716;MM267716;COC(=O)C=C(F)CC#N;OJLFSJGXVBMWCH-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267717;MM267717;C=C(C=C(C)NC=N)CC;ISHMPKKHYZIFKF-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267718;MM267718;C=C(C=C(C)NC=O)CC;DBFHUIQHMPQVFW-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267719;MM267719;C=C(C=C(C)NC=O)CN;VUQXOHJAJFCFTB-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267720;MM267720;C=C(C=C(C)NC=O)CF;UIRGRELSBZVGSV-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267721;MM267721;CC(=CC(=O)CO)NC=O;OQGPHAIBWDFZDP-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267722;MM267722;CC(=CC(=O)CF)N=CN;OTGPFTIUKGHSPF-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267723;MM267723;CC(=CC(=O)CF)NC=O;ROWWDMJBMWNTHT-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267724;MM267724;N=CNC(N)=CC(=O)CO;FDYWEZRLHQXIFD-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267725;MM267725;NC(=CC(=O)CO)NC=O;WCXVRPQAEZGTLZ-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267726;MM267726;CCNN=CC1CC1O;FYTNABLMNUJOQR-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267727;MM267727;CNC(=N)C=C(C)NC=N;IVRLZOCLQJFAKD-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267728;MM267728;CC(=CC(=N)NN)NC=O;XRDPYHPJNFKOAR-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267729;MM267729;CNC(=O)C=C(C)N=CN;UBENBBQCEHUZJZ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267730;MM267730;CNC(=N)C=C(N)NC=N;XWDSBLUSVBDDGT-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267731;MM267731;CNC(=N)C=C(N)NC=O;OVEJXBQDNAPDDH-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267732;MM267732;N=CNC(N)=CC(=N)NN;NXHCNVSRYBQSKY-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267733;MM267733;N=C(C=C(N)NC=O)NN;DMDYTELOUMVQAK-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267734;MM267734;N=CNC(N)=CC(=N)NO;SCTNSCSSOILHRF-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267735;MM267735;N=C(C=C(N)NC=O)NO;YAVFKNHNYKXZRA-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267736;MM267736;CNC(=O)C=C(N)NC=O;WSIPUUUVIFJCAD-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267737;MM267737;NC=NC(N)=CC(=O)NN;LJUJZVXRZYTDAN-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267738;MM267738;C=NNC(N)=CC(=N)NN;XBCOHLRHYJEYDO-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267739;MM267739;C=NNC(N)=CC(=N)NO;QTYIHEYQWCLDKA-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267740;MM267740;C=C(C=C(C)NC=N)OC;LPIVOQQDQXNIAF-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267741;MM267741;C=C(C=C(C)NC=O)OC;GOJGLDRQQBJCFF-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267742;MM267742;COC(=O)C=C(C)NC=O;UPIMKHFVOOGHJR-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267743;MM267743;COC(=O)C=C(N)N=CN;LELIIOJACVQKQC-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267744;MM267744;COC(=O)C=C(N)NC=O;IZBJDFNGMWMCID-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267745;MM267745;C=COC(C)=CC(=C)CC;UXSAPOYSEJMFPI-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267746;MM267746;C=COC(C)=CC(=C)CN;BKQBKROTYMLHOP-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267747;MM267747;C=C(C=C(C)OC=O)CO;QJQJQKBXIFCIER-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267748;MM267748;CCC(=O)C=C(C)OC=O;HTCPBXJVVVNEPP-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267749;MM267749;C=COC(N)=CC(=O)CC;FUBLYCKARVPUJI-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267750;MM267750;CCC(=O)C=C(N)OC=O;KVMVLLVUQGZWDK-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267751;MM267751;C=COC(C)=CC(=N)NC;PEGVACKAVPNYKG-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267752;MM267752;C=COC(C)=CC(=N)NN;GBBPJGVTQOAADI-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267753;MM267753;CC(=CC(=N)NN)OC=O;FMSKWBHGPOKACS-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267754;MM267754;N#CC1NC1C(=O)CF;YUJXKQDZZZKTJW-UHFFFAOYSA-N;128.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267755;MM267755;CNC(=N)C=C(N)OC=O;IKIXQAVAARERNJ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267756;MM267756;N=C(C=C(N)OC=O)NN;KPIQASZHZHVDIZ-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267757;MM267757;CNC(=O)C=C(N)OC=O;FIBUGUPQPVHMBL-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267758;MM267758;C=COC(C)=CC(=C)OC;SCQFGMRXYUXGND-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267759;MM267759;COC(=O)C=C(C)OC=O;BHHSAELVEUKWBX-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267760;MM267760;C=CN=C(C)NC(=N)CO;DHKVAKTYPLNCJZ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267761;MM267761;C#CC(F)=CC(=C)C(N)=O;KULHXOHJNRAKCS-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267762;MM267762;C=CN=C(C)NC(=O)CO;JRDBLOXXFYGVOL-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267763;MM267763;C=CN=C(C)NC(=O)CF;VEWRBYWOAGAANI-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267764;MM267764;C=CN=C(C)NC(=N)NO;FMLVNIYDOPHJLU-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267765;MM267765;NC(=O)CCNN=CNO;QDRYYASMXUNRRO-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267766;MM267766;COC=CN=C(N)C(N)=O;QWPXDJQPFLVYSV-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267767;MM267767;C=CN=C(C)NC(=O)NO;UORMVLSROFSAKR-UHFFFAOYSA-N;143.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267768;MM267768;C#CCC(C)=CC(=C)CN;NVWAFGGBLPDBOY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267769;MM267769;C#CCC(C)=CC(=O)CC;VJWSEHUNWMHHGH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267770;MM267770;C#CCC(C)=CC(=O)CF;SJMDTVOOIUAXDN-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267771;MM267771;C#CCC(N)=CC(=O)CC;INBKNLGDMGEQGA-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267772;MM267772;C#CCC(F)=CC(=C)CC;LNEGBVXIVDOCJO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267773;MM267773;C#CCC(F)=CC(=C)CN;MTEDOJHYWMZACZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267774;MM267774;C#CCC(F)=CC(=O)CC;RBUXVMBEMYIMMU-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267775;MM267775;C#CCC(C)=CC(=N)NN;XKRLFZIZQGCLPO-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267776;MM267776;C#CCC(C)=CC(=N)NO;MZZDAZILMJOMLL-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267777;MM267777;CNC(=O)CC(C#N)NC;PQYIFXVAUCCGSL-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267778;MM267778;C#CCC(N)=CC(=N)NC;WBROVDPBVYDQDV-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267779;MM267779;C#CCC(N)=CC(=N)NO;MBRXYXGTYNIPRZ-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267780;MM267780;CNC(C#N)C=CC(C)O;ZHASGYAGVAFIBZ-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267781;MM267781;C#CCC(C)=CC(=C)OC;VPWLIHADWQIXJQ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267782;MM267782;C#CCC(N)=CC(=O)OC;YWYLRNGAFRSRHK-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267783;MM267783;C#CCC(F)=CC(=C)OC;YLLUNYFFTPWAMD-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267784;MM267784;C=C(C#N)C=C(C)CCC;XLVZSEFARMQLFS-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267785;MM267785;C=C(C=O)C=C(C)CCF;UZVIXBSLKNOGFF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267786;MM267786;C=C(C#N)C=C(C)CCF;MHAZYMUJWNSAIQ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267787;MM267787;C=CC(=O)C=C(C)CCF;FYAXBWIXYASBFX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267788;MM267788;CCCC(C)=CC(=O)C=O;IIWNYIKABWESKN-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267789;MM267789;CNC(=O)N(N)CCOC;KDCBHBCQWMUCGK-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267790;MM267790;CC(=CC(=O)C#N)CCF;GOFCDOYMBRILDU-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267791;MM267791;C=CC(=O)C=C(N)CCC;DYQOWQSHAKNFIX-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267792;MM267792;CCCC(N)=CC(=O)C#N;NLTXLMQLMMAERF-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267793;MM267793;N#CC(=O)C=C(N)CCO;HFHYSMSLDDWPST-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267794;MM267794;C=CC(=C)C=C(F)CCC;NBBOJYBSWXNKRA-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267795;MM267795;C=CC(=C)C=C(F)CCN;VWWKNEOKGDKJQP-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267796;MM267796;C=C(C#N)C=C(F)CCC;LOYQVMFRYMACJY-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267797;MM267797;C=CC(=O)C=C(F)CCF;AASFREUMVMWDBT-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267798;MM267798;CCCC(F)=CC(=O)C=O;VDFOENJFZNBSKD-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267799;MM267799;CCCC(F)=CC(=O)C#N;LTGOWUKWYNRAPL-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267800;MM267800;N#CC(=O)C=C(F)CCF;RQQXLCRKRGBIIB-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267801;MM267801;C=CC(=O)C=C(N)CNC;LWLNENKKGAAGPK-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267802;MM267802;CNCC(N)=CC(=O)C=O;BVUKNXPLLAUYLG-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267803;MM267803;C=C(C=O)C=C(C)COC;RSJDLBDYBDNJDE-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267804;MM267804;C=CC(=O)C=C(C)NCC;PLRZZJKALSHPOA-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267805;MM267805;CCNC(C)=CC(=O)C#N;XDGYDICQEDMPGX-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267806;MM267806;C=CC(=C)C=C(C)OCC;YTBVIEPZPVDSIG-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267807;MM267807;C=C(C#N)C=C(C)OCC;QIEKOXKSLDHWQX-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267808;MM267808;C=CC(=C)C=C(C)CC=O;KOYUNCJBPDRRMV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267809;MM267809;C=CC(=C)C=C(C)CC#N;RQUXNHLHOMWHRW-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267810;MM267810;C=CCC(C)=CC(=C)C=O;STTMFBDTXPGHLT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267811;MM267811;C=C(C=O)C=C(C)CC=O;JYPIIJIONHSVIO-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267812;MM267812;C=C(C=O)C=C(C)CC#N;XUTOOONCSFUDHR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267813;MM267813;C=C(C#N)C=C(C)CC=O;VVJGJRMIYLHJDU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267814;MM267814;C=C(C#N)C=C(C)CC#N;QEJBNTPPLZNLMU-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267815;MM267815;C=CCC(C)=CC(=O)C=C;ZZAXSFJKETUAAC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267816;MM267816;C=CC(=O)C=C(C)CC=O;JTSLXYQVUUFOPG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267817;MM267817;C=CC(=O)C=C(C)CC#N;DAWHKEPZAPIQDG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267818;MM267818;CC(=CC(=O)C=O)CC=O;BPFYYNHDOARZSE-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267819;MM267819;CC(=CC(=O)C=O)CC#N;PYHADKURLKERRP-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267820;MM267820;CC(=CC(=O)C#N)CC#N;VZOUHAKAAFJJPW-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267821;MM267821;C=CCC(N)=CC(=O)C=C;NXIYNTVWGWTXPM-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267822;MM267822;C=CC(=O)C=C(N)CC=O;IBDFDUQXPRGHQA-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267823;MM267823;N#CCC(N)=CC(=O)C=O;PBNVQRIWERCJSH-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267824;MM267824;C=CC(=C)C=C(F)CC=O;ODCJSKHHUDHZHW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267825;MM267825;C=CCC(F)=CC(=C)C=O;DDRPOAYBEGXXGZ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267826;MM267826;C=CCC(F)=CC(=C)C#N;PQISTWOGTLGUGQ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267827;MM267827;C=C(C=O)C=C(F)CC=O;UVVXXMKJTZWBAR-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267828;MM267828;C=C(C=O)C=C(F)CC#N;WCDXFAGBBQETLV-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267829;MM267829;C=C(C#N)C=C(F)CC=O;IACZXNZYRJOJGR-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267830;MM267830;C=CCC(F)=CC(=O)C=C;GHCWZHUEBRCFRZ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267831;MM267831;C=CC(=O)C=C(F)CC=O;MFBMSYKKBIOOCS-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267832;MM267832;C=CCC(F)=CC(=O)C=O;OSDNPQGJHFIJSX-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267833;MM267833;C=CCC(F)=CC(=O)C#N;QNMPBVAYZQLQOD-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267834;MM267834;O=CCC(F)=CC(=O)C=O;ZJWUNZUGTFQHFB-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267835;MM267835;C=CC(=C)C=C(C)NC=N;SNZWOTPZGYMLEY-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267836;MM267836;C=CC(=C)C=C(C)NC=O;NTPIOIZLSZAEMK-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267837;MM267837;C=C(C#N)C=C(C)NC=O;IXNIUYKHQGSRFA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267838;MM267838;N#CC(=O)C=C(N)NC=N;WTRZYPRKKVNHJW-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267839;MM267839;NC(=CC(=O)C=O)NC=O;CYUFKKHDXHBTTD-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267840;MM267840;C=COC(=NN)C(C)CO;CGLANKPPNYKYAS-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267841;MM267841;C=C(C=O)C=C(C)OC=O;WDDPCDFZVPBSSX-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267842;MM267842;C=CC(=O)C=C(C)OC=O;HEZYURRYKHOQAR-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267843;MM267843;C=COC(C)=CC(=O)C=O;VBDQCWWXENQGFR-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267844;MM267844;C=COC(C)=CC(=O)C#N;GMGKRCPHPRWHPU-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267845;MM267845;C=CN=C(C)NC(=N)C=C;ZQRVQMSENGRKKE-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267846;MM267846;CNN(C=CCF)C(N)=O;KSJCOUPRAXFONT-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267847;MM267847;CNN=CCC(C=O)CO;KWULFTRKIKEGSM-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267848;MM267848;C#CCC(C)=CC(=C)C=O;PYZJKWDGBAZDBZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267849;MM267849;C#CCC(C)=CC(=C)C#N;AEKUXSNUGPIEIE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267850;MM267850;C#CCC(C)=CC(=O)C=C;FNBVTOPNNXALMP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267851;MM267851;C#CCC(C)=CC(=O)C#N;KSLLLXYJMZAUJA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267852;MM267852;C#CCC(F)=CC(=C)C=C;BDANIYJLYRXQTN-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267853;MM267853;C#CCC(F)=CC(=C)C=O;OWLDCZUPVCJSOX-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267854;MM267854;C#CCC(F)=CC(=C)C#N;IABANDLHFNMXOL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267855;MM267855;C#CCC(F)=CC(=O)C=C;LSWFVRABNDLBGD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267856;MM267856;C#CCC(F)=CC(=O)C#N;NZTVFIFLMZNXOY-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267857;MM267857;C#CC(=C)C=C(C)CCN;JNCSSQSACULRES-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267858;MM267858;C#CC(=O)C=C(C)CCF;KTUDKOLGXVPONM-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267859;MM267859;C#CC(=O)C=C(N)CCC;JMESVZUTTKKFIA-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267860;MM267860;C#CC(=O)C=C(N)CCO;BNQWULJUYYQHRZ-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267861;MM267861;C#CC(=C)C=C(F)CCC;QLVKQSMQJBYQDR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267862;MM267862;C#CC(=C)C=C(F)CCO;WIXKLBJQTSLTHP-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267863;MM267863;C#CC(=O)C=C(F)CCC;STIVPPSVBRYTCW-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267864;MM267864;C#CC(=O)C=C(F)CCO;KXWAHTOWSJTOQG-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267865;MM267865;C#CC(=C)C=C(C)CNC;UWOJBKGLMKOBDK-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267866;MM267866;C#CC(=C)C=C(C)OCC;OXTZMJBAKKTQRP-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267867;MM267867;C#CC(=O)C=C(C)OCC;GZVPBCQGQGFQBB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267868;MM267868;C#CC(=O)C=C(N)OCC;WQMRJPVIYZRDRZ-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267869;MM267869;C#CC(=C)C=C(C)CC=O;DMQWZXAKOIAMGM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267870;MM267870;C#CC(=C)C=C(C)CC#N;ATCWDVXTIQALBG-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267871;MM267871;C#CC(=O)C=C(C)CC=C;NUVKAACVHPDUFL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267872;MM267872;C#CC(=C)C=C(F)CC=O;ZQPHCVFIXUSIDP-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267873;MM267873;C#CC(=O)C=C(F)CC=C;MWRQODGHDMDRGD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267874;MM267874;C#CC(=O)C=C(F)CC#N;YOVARVGJCMCCEV-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267875;MM267875;C#CC(=O)C=C(N)NC=N;QUWLGPKBKWZSQI-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267876;MM267876;C#CC(=O)NC(C)=NC=C;LRHPNHGUCKKCTD-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267877;MM267877;C#CCC(C)=CC(=C)C#C;SFCUQYPACVZHPD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267878;MM267878;C#CCC(C)=CC(=O)C#C;WPAGTARMUKRRPC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267879;MM267879;C#CCC(F)=CC(=C)C#C;JWTQJYMIOKXSRK-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267880;MM267880;C#CCC(F)=CC(=O)C#C;DUABFZZXEUBZDT-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267881;MM267881;CC=CC(C)=CC(C)CN;RKRCHMWYEKJRSA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267882;MM267882;C=COc1cc(NN)no1;CILLYDOMSVBBSI-UHFFFAOYSA-N;141.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267883;MM267883;CC=CC(C)=CC(C)CF;LGPXGZNWQRYPKE-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267884;MM267884;CC(C=CF)=CC(C)CF;IPXABMNMFSQEIK-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267885;MM267885;CC=CC(C)=CC(N)CC;STAGHTPUUYZPAQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267886;MM267886;CC(C=CF)=CC(N)CN;HFOAKJGTWSRPNM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267887;MM267887;CC=CC(C)=CC(N)CO;PDJXYBNUYSMWSW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267888;MM267888;CC=CC(C)=CC(N)CF;LPICSYNJFQQVEQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267889;MM267889;CC(C=CF)=CC(N)CF;ZBXHTUFRSRCVMK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267890;MM267890;C#Cc1c[nH]c(C=NN)c1;AJWOJGZOSJLKLQ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267891;MM267891;C#CCON=CC1CC1O;BIRBYLVNIYSPPX-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267892;MM267892;CC=CC(C)=CC(O)CN;NJSQQSVLUDAJFV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267893;MM267893;CC=CC(C)=CC(O)CO;MWIVEJUKRNNOHP-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267894;MM267894;CC=CC(C)=CC(O)CF;ZLKLRRBTCCRYNN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267895;MM267895;CC=CC(C)=CC(F)CN;GQRFFIXCYINZAK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267896;MM267896;CC=CC(C)=CC(F)CO;VPKSVIYLKBYOPK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267897;MM267897;CC=CC(C)=CC(F)CF;DSDQRYOVJWZGDX-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267898;MM267898;CC(C=CF)=CC(F)CF;JVNVDBDQRQEFPK-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267899;MM267899;CC=CC(F)=CC(C)CN;WSLQHPNGAIYQBG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267900;MM267900;CC=CC(F)=CC(C)CO;ZLRWDMSCTDOHJA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267901;MM267901;CC(C=C(F)C=CF)CO;JCQVYOUJSGYZPT-UHFFFAOYSA-N;148.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267902;MM267902;CC=CC(F)=CC(N)CC;IFZRDSHDHLOYIQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267903;MM267903;CC=CC(F)=CC(N)CN;SVUYHEVNQZXWCY-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267904;MM267904;NCC(N)C=C(F)C=CF;NOWAQHZIVJRZSM-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267905;MM267905;CC=CC(F)=CC(N)CF;JTPPPICQSRBTQK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267906;MM267906;CC=CC(F)=CC(O)CC;BEWZMORUCKZNLY-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267907;MM267907;CC=CC(F)=CC(O)CO;LLBLEYCDJZUJRS-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267908;MM267908;CC=CC(F)=CC(O)CF;IMMSPHDIDULIOB-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267909;MM267909;CC=CC(F)=CC(F)CC;FFDASNRSZXEQMS-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267910;MM267910;CC=CC(F)=CC(F)CN;DCMKBKYLYQUYQG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267911;MM267911;CC=CC(F)=CC(F)CO;CDLMJHZPSDVHGA-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267912;MM267912;CC=CC(F)=CC(F)CF;FUOZLNOYPIFAJM-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267913;MM267913;CCC(C)C=C(C)C=NN;ZECLIFIRYWWIBG-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267914;MM267914;CC(C=NO)=CC(C)CN;IPASVWKYURSKAS-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267915;MM267915;CCC(N)C=C(C)C=NO;SFLFDVGKMLWEEV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267916;MM267916;CC(C=NO)=CC(N)CN;FHTIBZHYIDZOTQ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267917;MM267917;OCC(C=NN1CC1)CF;NNIRXPSJPQYOKF-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267918;MM267918;CCC(O)C=C(C)C=NO;PWSFOSLEEBSKNR-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267919;MM267919;CC(C=NO)=CC(O)CN;CUEQHNTZJZVPIV-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267920;MM267920;Cc1cc[nH]n1;XKVUYEYANWFIJX-UHFFFAOYSA-N;82.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267921;MM267921;CC(C=NO)=CC(O)CO;WNGSDGGPUKDIIN-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267922;MM267922;CCC(F)C=C(C)C=NO;MZICKQJXIOWMOC-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267923;MM267923;C=CN(N)C(=O)NC;UXSTUIYFIBKKJK-UHFFFAOYSA-N;115.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267924;MM267924;CC(C=C(F)C=NN)CF;UTXSOQXHWTYNFA-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267925;MM267925;CC=CC(C)=CC(C)NC;QXKVMACSXFVCSO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267926;MM267926;CC=CC(F)=CC(C)NC;LCXVOBCKEZIQGE-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267927;MM267927;CNC(C)C=C(F)C=CF;JUIUQZWBOCEORB-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267928;MM267928;CC=CC(F)=CC(C)OC;CGJIBYJWHXZJPW-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267929;MM267929;COC(C)C=C(C)C=NN;CJHCSDDOJGFLKX-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267930;MM267930;CCN(C)N=C(C)C=CF;ZUNODSVFFQVTDO-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267931;MM267931;CCN(C)N=C(C)C=NO;WQASKDNNTCGWAK-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267932;MM267932;C=CC(C)C=C(C)C=CC;MNQFBNOCNNGZSL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267933;MM267933;CC=CC(C)=CC(C)C=O;BJTCGKYFAVFPPN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267934;MM267934;CC=CC(C)=CC(C)C#N;DBUVIDDPUOJHFP-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267935;MM267935;CC(C=CF)=CC(C)C=O;FIHPYZMXSZZASW-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267936;MM267936;C=CC(N)C=C(C)C=CC;IABKBXPCESRKTI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267937;MM267937;NC1C(=O)OC=C1F;SDDZLIGLSHDHMI-UHFFFAOYSA-N;117.08;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267938;MM267938;CC=CC(C)=CC(O)C#N;RGLDGTWHBBJQKN-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267939;MM267939;C=CC(F)C=C(C)C=CC;PLKDPHZYVOLFQI-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267940;MM267940;CC=CC(C)=CC(F)C=O;CODLQALNQJUGAQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267941;MM267941;CC=CC(C)=CC(F)C#N;XJFNRUUMOPLKQF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267942;MM267942;CC(C=CF)=CC(F)C=O;HOZRWXRMHNDRNW-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267943;MM267943;CC=CC(F)=CC(C)C=O;ISMQLUUTMYNKNO-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267944;MM267944;C=CC(N)C=C(F)C=CF;RPAWKXZZBXHDCK-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267945;MM267945;C=CC(O)C=C(F)C=CC;UMTHJVJBRIKKKD-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267946;MM267946;C=CC(O)C=C(F)C=CF;PUFZGAOWSKFIHL-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267947;MM267947;CC=CC(F)=CC(O)C=O;DIDPIDAVBNOGPS-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267948;MM267948;CC=CC(F)=CC(O)C#N;SGTVVFBFWWXWFM-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267949;MM267949;C=CC(F)C=C(F)C=CC;ANOFMTFGRRIVRN-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267950;MM267950;C=CC(C)C=C(C)C=NN;LYPYELGQHWFQDK-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267951;MM267951;CC(C=NO)=CC(C)C=O;JSHYOCCRFMDQOA-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267952;MM267952;CC(C=NN)OC(N)=O;PLKLQANWQXQJRP-UHFFFAOYSA-N;131.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267953;MM267953;C=CC(O)C=C(C)C=NO;FJZGAKGAXUGGKK-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267954;MM267954;CC(C=NO)=CC(O)C#N;LGXYQMKSZRAZPX-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267955;MM267955;CC(C=NO)=CC(F)C#N;HWPBFLZXPCWIII-UHFFFAOYSA-N;142.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267956;MM267956;CC=CC(C)=CN(C)C=N;OSXKABRULLYKLY-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267957;MM267957;CC(C=CF)=CN(C)C=N;IYMNDRKUYLOLIB-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267958;MM267958;CC=CC(C)=CN(C)C=O;WJBDPBLNTBYOJG-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267959;MM267959;CC=CC(C)=CN(N)C=N;IDRVPEZXAWZMDW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267960;MM267960;CC=CC(C)=CN(N)C=O;ROFWBXMQVFJBAA-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267961;MM267961;CC(C=CF)=CN(N)C=O;RPEFTMOYXUVEOO-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267962;MM267962;CC=CC(C)=CN(O)C=N;ZFDYFVKEWWUOIW-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267963;MM267963;CC=CC(C)=CN(O)C=O;OAQQDHJNXQZYBI-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267964;MM267964;CC(C=CF)=CN(O)C=O;OJOMHAMVYDNUKF-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267965;MM267965;CC(C=NN)=CN(C)C=N;LQDIRHWMIBPFPH-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267966;MM267966;CC(C=NO)=CN(C)C=N;LHRBOQKKCDOYMI-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267967;MM267967;CC(C=NN)=CN(N)C=N;AQINDBJSJRIWMI-UHFFFAOYSA-N;141.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267968;MM267968;CN(C=N)C=C(F)C=NN;FUAJMPFNMCUJJV-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267969;MM267969;CC=CC(C)=NN(C)C=N;OASPZEOYPNEOJD-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267970;MM267970;CC=CC(C)=NN(C)C=O;OLYHPUNPJFWASF-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267971;MM267971;CC(C=NO)=NN(C)C=O;QYUUPMVHRDLKMG-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267972;MM267972;C#CC(C)C=C(C)C=CC;KDNXAEBREABRFL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267973;MM267973;C#CC(C)C=C(C)C=CF;URPFAHKVCZYIJK-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267974;MM267974;C#CC(N)C=C(C)C=CC;TWEWORZXCQBDPT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267975;MM267975;C#CC(O)C=C(C)C=CC;UMMPLIOBYOAITL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267976;MM267976;C#CC(O)C=C(C)C=CF;FNHGOMLXAUPZQY-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267977;MM267977;C#CC(F)C=C(C)C=CC;WRJYOFKQQJXFFV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267978;MM267978;C#CC(F)C=C(C)C=CF;NCKYMPFPZRUCFA-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267979;MM267979;C#CC(N)C=C(F)C=CC;MWPYCJLYPMXGCO-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267980;MM267980;C#CC(O)C=C(F)C=CC;LCRBUCYBXMBHLH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267981;MM267981;C#CC(C)C=C(C)C=NN;PSZWAJQGWQJBLF-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267982;MM267982;C#CC(C)C=C(C)C=NO;DRJSWVBGOOHGCK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267983;MM267983;C#CC(F)C=C(C)C=NN;SPCPMYLPABREMR-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267984;MM267984;C#CC(C)C=C(F)C=NO;MGTTUWOCNNCRKT-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267985;MM267985;C=C(C=C(C)C=CC)CC;AQCVRCOLWKLWGA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267986;MM267986;C=C(C=C(C)C=CC)CN;STZYPKLUSZMUGK-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267987;MM267987;C=C(C=C(C)C=CF)CN;XUNVVBRPKVAMCW-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267988;MM267988;C=C(C=C(C)C=CC)CO;OKFNXQMKZNRJAT-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267989;MM267989;C=C(C=C(C)C=CC)CF;LVJUVXCAZSTFEE-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267990;MM267990;CC=CC(C)=CC(=O)CC;BAURZFLIIWBQKP-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267991;MM267991;CCC(=O)C=C(C)C=CF;MXDSALZRDUMMQO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267992;MM267992;CC=CC(C)=CC(=O)CF;FCMICNVLEHTQJT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267993;MM267993;CC(C=CF)=CC(=O)CF;RQUAQUVTVXMUJK-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267994;MM267994;CC=CC(N)=CC(=O)CC;JOBQRYKGJUGJMY-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267995;MM267995;NC(C=CF)=CC(=O)CO;BCKDGDMCBAABLG-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267996;MM267996;CC=CC(N)=CC(=O)CF;MYIMXXCKBZQASV-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267997;MM267997;C=C(C=C(F)C=CC)CC;FYBUWYSBIZZYAH-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267998;MM267998;CCC(=O)C=C(F)C=CF;ZDFNTCPJCXYCMS-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM267999;MM267999;O=C(C=C(F)C=CF)CO;BYLTWTVEIIKJEA-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268000;MM268000;C=C(C=C(C)C=NN)CC;UQLXONKEVOTXTA-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268001;MM268001;C=C(C=C(C)C=NO)CO;JEUICESNEHNUEK-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268002;MM268002;CCC(=O)C=C(C)C=NO;WSQHFIRVKLHAGS-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268003;MM268003;CC(C=NO)=CC(=O)CO;RYNGCXYTXGRIGJ-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268004;MM268004;NC(=O)C=NNCC=O;LUPIEQFKWBHFAD-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268005;MM268005;CC=CC(C)=CC(=N)NC;LDURUXJMLSAQHD-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268006;MM268006;CC=CC(C)=CC(=N)NN;WIIJOQLHCSOIIP-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268007;MM268007;CC(C=CF)=CC(=N)NN;AGZSHEABYNSOLO-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268008;MM268008;CC=CC(C)=CC(=N)NO;FMEWPCVAIRHFQS-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268009;MM268009;CC(C=CF)=CC(=N)NO;XGAZKMYAOMUMRX-UHFFFAOYSA-N;144.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268010;MM268010;C=CC(=N)N(N)C(N)=O;YLJQUFNMSGOYLN-UHFFFAOYSA-N;128.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268011;MM268011;CC(CO)C(=O)C(=N)N;BYXBWFZUXKRIOD-UHFFFAOYSA-N;130.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268012;MM268012;CC=CC(C)=CC(=O)NO;UDIXAHBYHSKPPC-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268013;MM268013;N=C(C=C(N)C=CF)NN;QFEWMDBMLODRMT-UHFFFAOYSA-N;144.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268014;MM268014;COCC(C=NN)CO;YJNKZEKRROFLDR-UHFFFAOYSA-N;132.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268015;MM268015;CC=CC(F)=CC(=N)NN;BUAVWMCDSKEOSQ-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268016;MM268016;CC=CC(F)=CC(=O)NC;GEUJSNFNRVDAAF-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268017;MM268017;Cc1cc(C=O)[nH]c1N;QJPSOZQVDABTEO-UHFFFAOYSA-N;124.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268018;MM268018;CNC(=N)C=C(N)C=NN;JMLYPSXORNYDED-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268019;MM268019;CNC(=N)C=C(N)C=NO;WWCITIQADBCOLC-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268020;MM268020;N=C(C=C(N)C=NN)NO;RRVNYLSUBAHHCT-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268021;MM268021;CNC(=O)C=C(N)C=NO;QDUCOZWPDDPWNC-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268022;MM268022;NC(C=NO)=CC(=O)NO;UFGVANAFVDCYOH-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268023;MM268023;C=C(C=C(C)C=CC)OC;VLCKYKVEQNBHMV-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268024;MM268024;CC=CC(C)=CC(=O)OC;RMCHQOWPUICMFO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268025;MM268025;C=C(C=C(C)C=NN)OC;ZQBWYHZPLFELHN-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268026;MM268026;COC(=O)C=C(N)C=NO;IPLJPCFREMSANO-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268027;MM268027;N=CNC(N)=NC(=N)CF;ABJOGHVOJQKZKC-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268028;MM268028;N=CNC(N)=NC(=O)CO;JMUJTJPZXWQNDZ-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268029;MM268029;N=CNC(N)=NC(=O)CF;WWNZVDXALSHURT-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268030;MM268030;N=CNC(N)=NC(=N)NO;LRPIFXLJJDRNIW-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268031;MM268031;C=CC(=C)C=C(C)C=CC;SEVXTAMLWQLBGD-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268032;MM268032;C=C(C=O)C=C(C)C=CC;HRVLYLAFQSJDIZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268033;MM268033;C=C(C#N)C=C(C)C=CC;ZHOCXKSSUHMILC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268034;MM268034;C=C(C=O)C=C(C)C=CF;DSAIJQPVJRBMQN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268035;MM268035;C=CC(=O)C=C(C)C=CC;MVOZFEFJOGKNQT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268036;MM268036;C=CC(=O)C=C(C)C=CF;PTVORWNQTSCUBM-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268037;MM268037;CC=CC(C)=CC(=O)C#N;YSAJBICMYVHNIL-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268038;MM268038;CC(C=CF)=CC(=O)C#N;WBYIVPVZDOZOOU-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268039;MM268039;C=CC(=O)C=C(N)C=CC;YQMGMJUGCWLDKI-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268040;MM268040;C=CC(=O)C=C(N)C=CF;UBQHWUQXEMJWKG-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268041;MM268041;CC=CC(N)=CC(=O)C#N;WCBQNKVFKWXJBK-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268042;MM268042;C=C(C#N)C=C(F)C=CC;AZKMUNAMXMHJMX-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268043;MM268043;C=C(C=O)C=C(F)C=CF;JAEIPDRIKGOSBC-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268044;MM268044;C=CC(=O)C=C(F)C=CC;IPHQUSPEYNHBPH-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268045;MM268045;C=CC(=O)C=C(F)C=CF;ORTKBDWWPUKUNT-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268046;MM268046;N#CC(=O)C=C(F)C=CF;UMTRZPWVRNWEHE-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268047;MM268047;C=C(C=O)C=C(C)C=NO;PETICFSTCQSVOJ-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268048;MM268048;C=C(C#N)C=C(C)C=NO;OMQJHCXVUIHGRW-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268049;MM268049;N#CC(=O)C=C(N)C=NO;KFZWDZVXKJNCAX-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268050;MM268050;C=CC(=O)N=C(N)NC=N;FNKIBPCGXNQQKN-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268051;MM268051;C#CC(=C)C=C(C)C=CC;KZXGPSOTRXWKSI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268052;MM268052;C#CC(=O)C=C(C)C=CC;JLXSSFJJHRSTQT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268053;MM268053;C#CC(=O)C=C(C)C=CF;GNAPQFCOZVHMSV-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268054;MM268054;C#CC(=O)C=C(N)C=CC;RNIZVLIVIRZTOM-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268055;MM268055;C#CC(=O)C=C(F)C=CC;DUYILOAFKJEYIW-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268056;MM268056;C#CC(=O)C=C(F)C=CF;UXPAOTQHGQZETG-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268057;MM268057;C#CC(=C)C=C(C)C=NN;ODSXQQCDFORPEI-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268058;MM268058;C#CC(=C)C=C(C)C=NO;IRHVENWBCHALFZ-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268059;MM268059;C#CC(=O)C=C(N)C=NO;KLXJBCWNOTVZTC-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268060;MM268060;CC#CC(C)=CC(C)CC;VHMCUNDXSHEZRR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268061;MM268061;CC#CC(C)=CC(C)CN;RZEIIVCJBQTBPU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268062;MM268062;CC(O)C=CC1CN1C;JNOIHDZZNDTHCD-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268063;MM268063;CC#CC(C)=CC(C)CF;LCFMDRDAAZEPRZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268064;MM268064;CC#CC(C)=CC(N)CC;BXIVXJSAWGCOBK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268065;MM268065;CC#CC(C)=CC(N)CF;QYFFOJZTRLURMH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268066;MM268066;C=C(C=NN)CC(C)(C)O;OQZZDJSGXLAFCX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268067;MM268067;CC#CC(C)=CC(O)CN;LFPCQQWWMSJEOT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268068;MM268068;CC#CC(C)=CC(F)CN;UBOOTSVSOVFNGS-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268069;MM268069;CC#CC(C)=CC(F)CO;SLYUERUBZHWVNL-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268070;MM268070;CC#CC(C)=CC(F)CF;FQGWVLPDNIOADY-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268071;MM268071;CC#CC(F)=CC(C)CC;NCXFTTSEJBFIMU-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268072;MM268072;CC#CC(F)=CC(N)CC;BCWTVUYOHWBHRK-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268073;MM268073;CC#CC(F)=CC(N)CO;PCWZFDRLLGCJRR-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268074;MM268074;CC#CC(F)=CC(O)CO;UYDBFFLKSROWFT-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268075;MM268075;CC#CC(F)=CC(F)CC;PBLNUVPUKBMBEU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268076;MM268076;CC#CC(F)=CC(F)CN;KIDCUZSWOOBWKI-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268077;MM268077;CC#CC(C)=CC(C)NC;MCTMSQNXXHTKHW-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268078;MM268078;CC#CC(C)=CC(C)OC;VZRLGIAEKAXPOY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268079;MM268079;CC#CC(F)=CC(C)OC;BEOVBYBIDNIFDF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268080;MM268080;CC#CC(C)=NN(C)CC;LGUQQUJUVAGIEP-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268081;MM268081;C=CC(C)C=C(C)C#CC;WRUUECUUNSUZGM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268082;MM268082;CC#CC(C)=CC(C)C#N;QCAHFSXYZONYTG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268083;MM268083;C=CC(O)C=C(C)C#CC;SZUXUHPIHQQIHT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268084;MM268084;CC#CC(C)=CC(O)C#N;FNTIILNJNUEWJX-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268085;MM268085;C=CC(F)C=C(C)C#CC;RLFNTRGZEMKLCO-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268086;MM268086;CC#CC(C)=CC(F)C=O;UFSGQKAFKZUNHT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268087;MM268087;CC#CC(C)=CC(F)C#N;HEZGUVNNSVIWON-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268088;MM268088;CC#CC(F)=CC(O)C=O;DVSKUIGRBMMXRB-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268089;MM268089;CC#CC(F)=CC(O)C#N;LJSDPCPCMHBKNK-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268090;MM268090;CC#CC(C)=CN(O)C=O;YTLZKUGOFMHYSF-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268091;MM268091;CC#CC(F)=CN(C)C=O;BAGGAOQEEJYFLS-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268092;MM268092;CC#CC(F)=CN(N)C=O;KPDSWWVNGVAYPN-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268093;MM268093;CC#CC(C)=NN(C)C=N;XNSUPYSTDUJZOF-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268094;MM268094;CC#CC(C)=NN(C)C=O;JVFOQWZPLGODED-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268095;MM268095;C#CC(C)C=C(C)C#CC;UQYDFTSVELUHDK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268096;MM268096;C#CC(N)C=C(C)C#CC;CSMNBSIUDQZGKO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268097;MM268097;C#CC(O)C=C(C)C#CC;KDEOJRUUELLAJA-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268098;MM268098;C#CC(F)C=C(C)C#CC;ICWZLJJSKAPEJS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268099;MM268099;C=C(C=C(C)C#CC)CC;GMHSJMUKHPUJTK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268100;MM268100;CC#CC(C)=CC(=O)CC;CJUURBMKLVHEPZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268101;MM268101;CC#CC(C)=CC(=O)CF;AZMZKQZKVDIPRT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268102;MM268102;CC#CC(N)=CC(=O)CC;IDQULPFOPYTZNW-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268103;MM268103;CC#CC(N)=CC(=O)CF;LOVDDQXTIOBQPA-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268104;MM268104;C=C(C=C(F)C#CC)CC;DLVUVOAHEZJIOK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268105;MM268105;CC#CC(F)=CC(=O)CO;HQMZHMZRWJLCQT-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268106;MM268106;CC#CC(C)=CC(=N)NC;VGYQWSYFUSBNGN-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268107;MM268107;CC#CC(C)=CC(=N)NO;CCJPZVDXURHTHG-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268108;MM268108;CC(F)C=NOCC(N)=O;XDFCUNHHSZALKX-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268109;MM268109;CC(=O)C(F)(C#N)C(=N)N;HXQGSFPIUJSJMU-UHFFFAOYSA-N;143.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268110;MM268110;CC#CC(C)=CC(=O)NO;VKBZLRHSTZSLBU-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268111;MM268111;CC#CC(N)=CC(=N)NC;PXWZNPWEUAPJQV-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268112;MM268112;CC#CC(N)=CC(=N)NN;VSAUYZCNTFTPJP-UHFFFAOYSA-N;138.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268113;MM268113;CC#CC(N)=CC(=N)NO;LFULYVGGJIISMA-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268114;MM268114;CC=C(F)CN(N)C(N)=O;SXUICEIODGBFBQ-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268115;MM268115;CC#CC(F)=CC(=N)NC;ANSZSQOANMDIRJ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268116;MM268116;CC#CC(F)=CC(=O)NC;YEIGLHPAXKNWNP-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268117;MM268117;C=C(C=C(C)C#CC)OC;KOSKWMJLZLCJOZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268118;MM268118;CC#CC(N)=CC(=O)OC;MAPZJFXOIPYLLK-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268119;MM268119;C=CC(=O)C=C(C)C#CC;DCFQADUFZIAZQL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268120;MM268120;CC#CC(C)=CC(=O)C=O;COPSAHIJSCGNIQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268121;MM268121;CC#CC(C)=CC(=O)C#N;FEAIDVFZOQYCHM-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268122;MM268122;C=CC(=O)C=C(N)C#CC;CPNDDFGYJOOOAE-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268123;MM268123;CC#CC(N)=CC(=O)C=O;NBYYUDPKYPIESY-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268124;MM268124;CC#CC(F)=CC(=O)C=O;USFYLGSEPISPGH-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268125;MM268125;CC#CC(F)=CC(=O)C#N;GKKDMCZIGZOPGV-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268126;MM268126;C#CC(=C)C=C(C)C#CC;ASVACYPIKWUFNZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268127;MM268127;C#CC(=O)C=C(C)C#CC;HRTCKUQFKHHOAV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268128;MM268128;C#CC(=O)C=C(N)C#CC;MAXGAXUGUPNPFX-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268129;MM268129;C#CC(=O)C=C(F)C#CC;FNTAXAYZJXGJTK-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268130;MM268130;CC=C(C)C=C(C)CCC;MQQSDVDBVQXZJT-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268131;MM268131;CC(=CF)C=C(C)CCN;KAHLGVRYEWEJDP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268132;MM268132;CC=C(F)C=C(C)CCC;VOJHWVYQNCDEKJ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268133;MM268133;CC=C(F)C=C(C)CCN;BRCURDOFTGYZHV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268134;MM268134;CC(=CC(F)=CF)CCN;GYWHQWBXMOMVDA-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268135;MM268135;CCCC(F)=CC(C)=CF;UAGLRGYAQRJLEP-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268136;MM268136;CC(=CF)C=C(F)CCN;FDMWQKDBHPCDDP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268137;MM268137;CCCC(F)=CC(F)=CF;XLOXRNOCSMQMGA-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268138;MM268138;NCCC(F)=CC(F)=CF;ILLDTXJNUPNXTG-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268139;MM268139;CC=C(C)C=C(C)CNC;HULWFCPXHQKBAY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268140;MM268140;CC=C(F)C=C(C)CNC;TWANODXZWZCICJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268141;MM268141;CNCC(C)=CC(F)=CF;SRGFXJLBZNRQAN-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268142;MM268142;CCCC(C)=CC(C)=NN;SPZVADLDYDJELM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268143;MM268143;CN(CCO)N=CC(N)=O;LKKJDXZMPONZDG-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268144;MM268144;CC(=CC(C)=NN)CCF;BXAAXAQNQNZYAM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268145;MM268145;CC(F)C=CN(N)C(N)=O;DFXMWHBSSYJTLQ-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268146;MM268146;CCCC(F)=CC(C)=NO;KTSBHUIGXFCAGT-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268147;MM268147;CC(C=C(F)CCN)=NO;NCLKGDJYNAZHNU-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268148;MM268148;CNCC(N)=CC(C)=NN;SJQQEIKQEYFTEF-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268149;MM268149;C=NN(C)CC=CC(C)O;LTIVZRDZTABAAN-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268150;MM268150;COCC(F)=CC(C)=NO;JZGYASQJDLJLCH-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268151;MM268151;CCN=C(C)C=C(C)NO;UCIWYHDUPVHFEX-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268152;MM268152;CCNC(=N)C=C(C)NN;PBZNCZOSKBMSHT-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268153;MM268153;CC=C(F)C=C(C)OCC;WQWHVTCWXIHUSW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268154;MM268154;CCOC(C)=CC(F)=CF;FZXPGYAZZHJDGP-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268155;MM268155;CCCC(=N)NC(N)=NC;NGGVXWAGNQUUML-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268156;MM268156;CCCC(=N)NC(N)=NN;UFUFDFKQMSQYBC-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268157;MM268157;CCCC(=N)NC(N)=NO;GLZYGEHIAYNWKQ-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268158;MM268158;N=C(CCO)NC(N)=NO;YPIMNZBEAIULQU-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268159;MM268159;CN=C(N)NC(=N)COC;GGEAPQNEFSKWBK-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268160;MM268160;COCC(=N)NC(N)=NN;POHWVDPZQOBZNC-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268161;MM268161;CN=C(N)NC(=N)NNC;PWAZLERTUMLFKW-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268162;MM268162;CN=C(N)NC(=N)NOC;JJXPNBKMSLZIIW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268163;MM268163;CONC(=N)NC(N)=NN;PAVYLQWGLFNCCB-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268164;MM268164;CCOC(=N)NC(N)=NC;MEQDSBQWMXRAAN-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268165;MM268165;C=CCC(C)=CC(C)=CC;HCRMTSCXTXFGDG-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268166;MM268166;CC=C(C)C=C(C)CC=O;WMBDGIPKKNZUIZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268167;MM268167;CC=C(C)C=C(C)CC#N;YULCZFTZWVVDBP-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268168;MM268168;CC(=CF)C=C(C)CC=O;SXSVPEYBRZWGPX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268169;MM268169;CC(=CF)C=C(C)CC#N;VYWIQJBGIJIPDI-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268170;MM268170;C=CCC(C)=CC(F)=CC;LPOXRWRCQMDRHJ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268171;MM268171;CC=C(F)C=C(C)CC#N;RTMNSFKORGTPKA-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268172;MM268172;C=CCC(C)=CC(F)=CF;ZQQUVIJKZNUWLS-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268173;MM268173;CC(=CC(F)=CF)CC=O;RQQNQOSOQBJPBY-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268174;MM268174;C=CCC(F)=CC(C)=CC;ZMMZNMDTHHGREJ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268175;MM268175;CC(=CF)C=C(F)CC=O;HMVLPAAHIQKPQW-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268176;MM268176;C=CCC(F)=CC(F)=CC;CDGXVAIRMQMVBY-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268177;MM268177;CC=C(F)C=C(F)CC=O;FJNSHPMUHARMHC-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268178;MM268178;CC=C(F)C=C(F)CC#N;XLPUSGGDSVYXKC-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268179;MM268179;C=CCC(F)=CC(F)=CF;PXWKZBMVJGBGTQ-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268180;MM268180;C=CCC(C)=CC(C)=NN;WBSVXXWHLLEYKX-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268181;MM268181;CC=C(C)C=C(C)NC=N;DEDYDOCJUHAPTB-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268182;MM268182;CC(=CF)C=C(C)NC=O;FJJBLPJWJGOGGT-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268183;MM268183;CC(=CC(F)=CF)NC=O;IEQMRVPTSXRQRI-UHFFFAOYSA-N;147.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268184;MM268184;CC(C)=NN(C=N)CC=O;XPBIXJXQEFTTAD-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268185;MM268185;C=CC(=NN)N(N)C(N)=O;VCPWUZSUAFMPGL-UHFFFAOYSA-N;143.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268186;MM268186;C=COC(C)=CC(C)=CC;ZOMJVJCMPAJDGR-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268187;MM268187;C=COC(C)=CC(F)=CC;XFUNBXMNCYMWPL-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268188;MM268188;CC(=CC(F)=CF)OC=O;AIWCQMFDGWHKPR-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268189;MM268189;CC(=CC(C)=NN)OC=O;ZIVHJKNJFRRKDP-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268190;MM268190;C=CN=C(C)NC(C)=NN;PQZKZCQNIALURF-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268191;MM268191;CNC(=N)N=C(N)NC=O;DPOLRNFZUZLEKN-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268192;MM268192;N=C(N=C(N)NC=O)NN;BKRDNVSNYJKMSO-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268193;MM268193;N=CNC(=N)NC(N)=NO;LRPIFXLJJDRNIW-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268194;MM268194;C=NNC(N)=NC(=N)NC;MKBBCHZMMQWTIH-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268195;MM268195;C=NNC(N)=NC(=N)NN;NMDLXRHWYGIJLK-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268196;MM268196;CNC(=N)N=C(N)OC=O;GYAWSLKSFAJMTL-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268197;MM268197;N=C(N=C(N)OC=O)NN;BJQREASILRKRJI-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268198;MM268198;NC(=O)N(N)CCNC=O;SYPIKEZVCOTMAR-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268199;MM268199;C#CCC(C)=CC(C)=CC;QCTZRGLGLALZPB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268200;MM268200;C#CCC(C)=CC(C)=CF;OOFATAFANKPEFR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268201;MM268201;C#CCC(C)=CC(F)=CC;ZBPFUIHSCPCHDU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268202;MM268202;C#CCC(F)=CC(C)=CF;NPDWQBNTCCMZEW-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268203;MM268203;C#CCC(F)=CC(F)=CC;GICZHUXGILTYLT-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268204;MM268204;C#CCC(C)=CC(C)=NN;OBUOOVPDVSPKIA-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268205;MM268205;C#CCC(C)=CC(C)=NO;BHXCCXHWXRBHJZ-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268206;MM268206;NN=CCN=C(N)C(N)=O;WXPAQRIBKOAZBH-UHFFFAOYSA-N;143.15;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268207;MM268207;CC=CC(C)=CC(C)=CC;RKFRNZNIFDQCMV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268208;MM268208;CC=CC(C)=CC(C)=CF;KBOXGWKFMQHIAT-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268209;MM268209;CC(=CF)C=C(C)C=CF;PQGLSGVEIKEJKY-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268210;MM268210;CC=CC(C)=CC(F)=CC;KNXPXEWCNIQGKF-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268211;MM268211;CC=CC(C)=CC(F)=CF;KVYMQBOOHCWEEE-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268212;MM268212;CC=CC(F)=CC(F)=CC;GCLBONHCKGAQPY-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268213;MM268213;CC=CC(F)=CC(F)=CF;WIDGHZWQDBOFSB-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268214;MM268214;CC=C(C)C=C(C)C=NN;WSOYUDPWSGMLGW-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268215;MM268215;COCON=C(C)C(N)=O;UFNBLIPYRBHEPC-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268216;MM268216;CC(=CF)C=C(C)C=NN;PKKQQEFHBSRGNZ-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268217;MM268217;CC=CC(C)=CC(C)=NN;WHRFKDNUNGLLPD-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268218;MM268218;CC(C=CF)=CC(C)=NN;BAWLEWUFDAQBEC-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268219;MM268219;C=C(CCF)N(N)C(N)=O;UHSFIMUVAFHFPS-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268220;MM268220;C#CCN(C)C(=N)C(N)=O;SSMODSKQHXVROD-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268221;MM268221;CC=CC(F)=CC(C)=NO;KOVRZJVLHAIZSQ-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268222;MM268222;CC=NN(C=NC)CC=O;NJUYFXKTOWDWHP-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268223;MM268223;CC(C=C(F)C=NN)=NN;UUVDCHGLFUBGDK-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268224;MM268224;CC#CC(C)=CC(C)=CC;AJKZFKWUMOKMNK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268225;MM268225;CC#CC(C)=CC(F)=CF;WKJZOMZNKRABKK-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268226;MM268226;CC#CC(F)=CC(F)=CC;HXRSLGYWKMPEMY-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268227;MM268227;CC#CC(C)=CC(C)=NN;ZYPICNLKJUTJDF-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268228;MM268228;CC#CC(C)=CC(C)=NO;KQFIUWRUFAMLRJ-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268229;MM268229;CN(C)N(CCO)C(N)=O;NHZXSPUBBXBHQF-UHFFFAOYSA-N;147.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268230;MM268230;CC#CC(=N)NC(N)=NN;CEBPMEARUQDSKN-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268231;MM268231;CC(C)CC(C)C(C)CN;VKSBEHRZHAKGFW-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268232;MM268232;CC(N)CC(C)C(C)CF;HLKROUWQXWDOBS-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268233;MM268233;CC(O)CC(C)C(C)CN;UVHSNRBTONGSHN-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268234;MM268234;C#CC1(CF)NC1C(N)=O;BQQUFCBHZLQMBQ-UHFFFAOYSA-N;142.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268235;MM268235;O=CC=NNCC(=O)C=O;NXJNIQDIHJLAPA-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268236;MM268236;CC(F)CC(C)C(C)CN;LJEDDPKXIBCTEI-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268237;MM268237;CC(CF)C(C)CC(F)F;OWELYPBOGJSXGU-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268238;MM268238;CC(C)CC(C)C(N)CN;XNEATKMXPPCNQD-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268239;MM268239;CC(C)CC(C)C(N)CO;VKLBXHFENQXCDD-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268240;MM268240;CCC(N)C(C)CC(C)N;PDDXOIUYIGBRHU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268241;MM268241;CC(N)CC(C)C(N)CN;PWQUFAOFZQHPQA-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268242;MM268242;CCC(N)C(C)CC(C)O;NONXGYYZJGTRNT-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268243;MM268243;CC(O)CC(C)C(N)CN;GJZZUPIGRQTTCN-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268244;MM268244;CNN=CC(CO)COC;SNNALLBMCWYXLC-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268245;MM268245;CCC(O)C(C)CC(C)N;VHMVGPACGJQSMI-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268246;MM268246;CC(N)CC(C)C(O)CO;TXOWEPWUQIAYAG-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268247;MM268247;CC(O)CC(C)C(O)CO;GRQHFSXBQKAIFO-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268248;MM268248;CC(C)CC(C)C(F)CN;MVSYWBBYTZKEBQ-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268249;MM268249;CCC(F)C(C)CC(C)N;UGDGMZIYEVMYJG-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268250;MM268250;CC(N)CC(C)C(F)CF;USIJOBAPQAATAP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268251;MM268251;CC(O)CC(C)C(F)CF;INQBSDAWOXTNCM-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268252;MM268252;CC(CC(F)F)C(F)CF;GTJSBTGGRKBIBZ-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268253;MM268253;CC(C)CC(N)C(C)CO;ZXUMEHLYYQCVPI-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268254;MM268254;CC(C)CC(N)C(C)CF;ZDNLUQILJITXSN-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268255;MM268255;CCC(C)C(N)CC(C)N;JAFGLGFWAYSBEV-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268256;MM268256;CCC(C)C(N)CC(C)O;NNKCVTQWXUYRLC-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268257;MM268257;CC(O)CC(N)C(C)CN;RMBPZAPUIKLALK-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268258;MM268258;CC(C)CC(N)C(N)CN;WSPAUFCQKDXMJY-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268259;MM268259;CCC(N)C(N)CC(C)N;VBBUAGIGSPKMTE-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268260;MM268260;CC(N)CC(N)C(N)CN;VZVPAEJWBCBRFW-UHFFFAOYSA-N;146.24;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268261;MM268261;CC(F)CC(N)C(N)CF;USCRCXBCDMPIOO-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268262;MM268262;CC(C)CC(N)C(O)CN;IOJMBISJUHUMQS-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268263;MM268263;CCC(F)C(N)CC(C)C;CXVMSKOVJOOWOD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268264;MM268264;CC(C)CC(N)C(F)CF;AOQIBXHAGQCMPQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268265;MM268265;CC(N)CC(N)C(F)CF;GHJPBPZRIMYJHL-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268266;MM268266;CC(F)CC(N)C(F)CN;GAIADOFVAFZORX-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268267;MM268267;CC(F)CC(N)C(F)CO;LGABEEOVAYRGJK-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268268;MM268268;CC(F)CC(N)C(F)CF;QCSMGDYSDSAMFP-UHFFFAOYSA-N;155.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268269;MM268269;CCC(F)C(N)CC(F)F;GVTMVTKMASIDKU-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268270;MM268270;CC(N)CC(O)C(C)CF;IDEWTYUYOBUICN-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268271;MM268271;CC(C)CC(O)C(N)CN;PNPWJHOQTZUIAR-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268272;MM268272;CC(C)CC(O)C(N)CO;APMJQKIPPBWJSO-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268273;MM268273;CC(O)CC(O)C(N)CO;LDOHUFIJGXPICR-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268274;MM268274;CC(C)CC(O)C(O)CN;IXJOQTQRWRUFRG-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268275;MM268275;CC(C)CC(O)C(O)CO;KOGXLWSTWNMCHZ-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268276;MM268276;CCC(O)C(O)CC(C)N;JPTKRXBBFCPQBK-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268277;MM268277;CC(N)CC(O)C(O)CO;OCXRCHCPWRXLEN-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268278;MM268278;CCC(O)C(O)CC(C)O;TZCYJMSIMKQZTC-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268279;MM268279;CC(O)CC(O)C(O)CN;VDAGGRTXUZNNJT-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268280;MM268280;CC(C)CC(O)C(F)CO;JNHLMUYFJUJQDR-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268281;MM268281;CCC(F)C(O)CC(C)O;HAUSNVBASUQSDT-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268282;MM268282;CC(O)CC(O)C(F)CO;KUWMLDGGELQGQV-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268283;MM268283;CC(F)CC(O)C(F)CN;UXCWHAVMATWKLT-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268284;MM268284;CC(F)CC(O)C(F)CO;CANYDRBZHALWON-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268285;MM268285;OC(CC(F)F)C(F)CF;XOMPLORESRJNHJ-UHFFFAOYSA-N;160.11;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268286;MM268286;CC(C)CC(F)C(C)CN;SUKSQAKDANNTIJ-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268287;MM268287;CCC(C)C(F)CC(C)N;KLYCYTAGZOTGGN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268288;MM268288;CC(N)CC(F)C(C)CN;CDRZYYPNWSTFFJ-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268289;MM268289;CC(N)CC(F)C(C)CO;BYALSBDSTPLYMO-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268290;MM268290;CC(N)CC(F)C(C)CF;IBXWKGPMQRNMHB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268291;MM268291;CC(O)CC(F)C(C)CF;JSNBEQWPIIJFIA-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268292;MM268292;CC(CN)C(F)CC(F)F;FLJPUCMWHUSFFJ-UHFFFAOYSA-N;155.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268293;MM268293;CC(CF)C(F)CC(F)F;MLRADVFKFDUMJU-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268294;MM268294;CC(C)CC(F)C(N)CN;LPXCIKCGUUHDGH-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268295;MM268295;CC(N)CC(F)C(N)CF;CGNSVHRZXPVSQN-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268296;MM268296;CC(F)CC(F)C(N)CN;OQBIBQOWZQPXOH-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268297;MM268297;CC(F)CC(F)C(N)CO;CQJLRKCAKJFJKI-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268298;MM268298;CCC(N)C(F)CC(F)F;QFBZASLBCNDXIN-UHFFFAOYSA-N;155.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268299;MM268299;CCC(O)C(F)CC(C)O;FRKZYNHZHUXGDW-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268300;MM268300;CC(F)CC(F)C(O)CN;ZIKQNXFZQNQIGJ-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268301;MM268301;CC(F)CC(F)C(O)CO;KSUZKLIDOJKLEG-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268302;MM268302;CCC(F)C(F)CC(C)N;LPMPULUJXFDHIB-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268303;MM268303;CC(N)CC(F)C(F)CN;MAQUROHBRNHHPX-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268304;MM268304;CCC(F)C(F)CC(C)O;WJAJPGYOGMUQLC-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268305;MM268305;CC(O)CC(F)C(F)CN;YGACDUOBCZXNCR-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268306;MM268306;CC(O)CC(F)C(F)CF;BPQFEBSLECIAFX-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268307;MM268307;CC(F)CC(F)C(F)CN;LPHVHDDTNJRFDS-UHFFFAOYSA-N;155.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268308;MM268308;CNC(C)C(C)CC(C)C;MQLNLDUMTJCCSQ-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268309;MM268309;CNC(C)C(C)CC(C)N;HFNKZHLLEPHWHW-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268310;MM268310;CNC(C)C(C)CC(C)O;IFJBYELEKMZFBH-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268311;MM268311;CNC(C)C(C)CC(C)F;RRFJKCJKYFPHCW-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268312;MM268312;CNC(C)C(F)CC(C)C;ODHZSZISNCWENY-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268313;MM268313;CNC(C)C(F)CC(F)F;GIYRVFKDNRMXBY-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268314;MM268314;COC(C)C(N)CC(C)O;HQZIEWGIWDYZDY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268315;MM268315;CCC(C)C(C)NC(C)C;RELVMJXVWNFJPS-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268316;MM268316;CC(C)NC(C)C(C)CF;VYGRBEFIZHIXRZ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268317;MM268317;CC(C)NC(C)C(N)CN;HKMNZBKRZPBEEJ-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268318;MM268318;CCC(O)C(C)NC(C)C;QXPDCUJHJLPPCX-UHFFFAOYSA-N;145.25;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268319;MM268319;CC(C)NC(C)C(O)CO;YBYOABAINFCRKE-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268320;MM268320;CC(C)NC(C)C(F)CF;ZCUJMWBSVDZNNB-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268321;MM268321;CCC(C)C(C)OC(C)C;PGEGVSSTHGRACG-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268322;MM268322;CCC(N)C(C)OC(C)C;VUMGBHXUQDDLDZ-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268323;MM268323;CC(C)OC(C)C(N)CN;NJBWWPSBUKBGEW-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268324;MM268324;CC(C)OC(C)C(N)CF;FFFFFXIDRUOIKA-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268325;MM268325;CC(C)OC(C)C(O)CN;YXMMOKKNWCBSNY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268326;MM268326;CC(CN)C(C)CN(C)C;BOFIXMCYRUICQB-UHFFFAOYSA-N;144.26;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268327;MM268327;CC(CF)C(C)CN(C)C;ZBEYQDSVGYKXEE-UHFFFAOYSA-N;147.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268328;MM268328;CCC(N)C(C)CN(C)C;ZXYNKTYDSDUCCI-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268329;MM268329;CCC(C)C(N)CN(C)C;YIAXVAOPTYKGNW-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268330;MM268330;CCC(N)C(N)CN(C)C;MKXYJKFFBYZKIK-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268331;MM268331;CN(C)CC(N)C(N)CN;XIZYCYACOXOWKZ-UHFFFAOYSA-N;146.24;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268332;MM268332;CN(C)CC(N)C(N)CO;KGGSRWOLOWROMR-UHFFFAOYSA-N;147.22;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268333;MM268333;CN(C)CC(N)C(O)CN;IWWCQFSHWUKKQF-UHFFFAOYSA-N;147.22;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268334;MM268334;CCC(C)C(O)CN(C)C;UDMYNGFHCVMASR-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268335;MM268335;CCC(N)C(O)CN(C)C;BTDAVVNCRWONDW-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268336;MM268336;CN(C)CC(O)C(N)CN;ITGWAHJAOIUWCX-UHFFFAOYSA-N;147.22;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268337;MM268337;CN(C)CC(O)C(N)CO;MDYGYUVUMUZPBG-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268338;MM268338;CN(C)CC(O)C(O)CN;QRVSYWPNJCQJEB-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268339;MM268339;CN(C)CC(O)C(F)CN;VQISLQOZIUEWHN-UHFFFAOYSA-N;150.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268340;MM268340;CCN(C)C(C)CC(C)C;JIYNWYBOCZBCAS-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268341;MM268341;CCN(C)C(C)CC(C)N;WXPZEFLBYLYMJG-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268342;MM268342;CCN(C)C(C)CC(C)O;ZGXMEJZXXWKMRQ-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268343;MM268343;CCN(C)C(C)CC(C)F;NHYSQDMJXVXJEM-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268344;MM268344;CC(C)CN(C)C(C)CN;BPBRPZRCDNUXHX-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268345;MM268345;CC(N)CN(C)C(C)CO;CHHFADMXUTYXSE-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268346;MM268346;COCC(C=NOC)CO;JGMXWMOUZIELRB-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268347;MM268347;C=CC(C)C(C)CC(C)N;YJIGLHBWFWWGIR-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268348;MM268348;C=CN(N)C(=NN)C(N)=O;QCOWQGMNBGLRBA-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268349;MM268349;NC(=O)C(=CCCF)CF;IDYFVRWDJUNXMK-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268350;MM268350;CC(F)CC(C)C(C)C=O;QIQZBJKKDZVSCP-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268351;MM268351;C=CC(C)C(C)CC(F)F;UEGVGBCWKWRUMD-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268352;MM268352;C=CC(N)C(C)CC(F)F;XDMDWFHYTWQROZ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268353;MM268353;C=NN(C=N)C(=O)COC;LIOFUUKQMYCOEN-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268354;MM268354;CC(F)CC(C)C(O)C#N;DHMDAOWXLAKIHB-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268355;MM268355;CC(O)CC(C)C(F)C=O;JSEWQUDJSZGRFK-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268356;MM268356;CC(O)CC(C)C(F)C#N;RHWYHTAHVHKSNL-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268357;MM268357;C=CC(C)C(N)CC(C)F;HAFDGJAJJLJEPB-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268358;MM268358;C=CC(C)C(N)CC(F)F;XQHILEHINQPTAM-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268359;MM268359;C=CC(N)C(N)CC(C)C;CEIJDXLAWBTPCG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268360;MM268360;C=CC(N)C(N)CC(C)F;MDXFHOJAUMGXAT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268361;MM268361;CC(O)CC(O)C(C)C#N;SJZMQFUAOUTVOB-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268362;MM268362;CC(F)CC(O)C(C)C#N;BUIVTMYNRNPJMM-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268363;MM268363;C=CC(C)C(O)CC(F)F;VMFWOLDKOGGQDK-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268364;MM268364;C=CC(N)C(O)CC(C)C;IYFNREGDGUBEFD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268365;MM268365;C=CC(N)C(O)CC(C)O;CEEGIQGZJYTICN-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268366;MM268366;C=CC(N)C(O)CC(C)F;VEPXLLWNFVTYHK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268367;MM268367;CC(O)CC(O)C(O)C#N;ABCKPFIJYLNXNS-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268368;MM268368;CC(F)CC(O)C(O)C#N;ODWWFZGPEZHJPH-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268369;MM268369;O=CC(O)C(O)CC(F)F;BIIJRLJJWDPKJQ-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268370;MM268370;N#CC(O)C(O)CC(F)F;ZSZLSEHMUCGBFM-UHFFFAOYSA-N;151.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268371;MM268371;CC(C)CC(O)C(F)C=O;PBANXWHWYJEXFJ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268372;MM268372;CC(F)CC(O)C(F)C#N;FCIQPAHFUQSXRS-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268373;MM268373;C=CC(C)C(F)CC(C)N;FKIAVDCQWYJPLD-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268374;MM268374;C=CC(C)C(F)CC(C)F;ISGCGUKSGFSRJX-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268375;MM268375;CC(F)CC(F)C(C)C=O;LFWLQDJLMNGTNP-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268376;MM268376;C=CC(C)C(F)CC(F)F;LLODUBVXCUTAGF-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268377;MM268377;CC(C=O)C(F)CC(F)F;QYSRIDDDBURLNK-UHFFFAOYSA-N;154.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268378;MM268378;C=CC(N)C(F)CC(C)F;QZPHKNBLNSHHRN-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268379;MM268379;CC(F)CC(F)C(O)C#N;XAKSMDRMHKIHIP-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268380;MM268380;C=CC(C)C(C)NC(C)C;OMNVVXQPQBYODF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268381;MM268381;CC(C)NC(C)C(C)C=O;ONPOXTAGZYPVRZ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268382;MM268382;CC(C)NC(C)C(O)C=O;JFIXRMDXSKQDQP-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268383;MM268383;CC(C)OC(C)C(O)C=O;OBYIJWCTENWNOZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268384;MM268384;CC(C)OC(C)C(O)C#N;BJCPCARUVCOABC-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268385;MM268385;CC(C=O)C(C)CN(C)C;XCVPKALLCYSCBG-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268386;MM268386;CC(C#N)C(C)CN(C)C;TXQGTQASUHCRPX-UHFFFAOYSA-N;140.23;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268387;MM268387;C=CC(O)C(C)CN(C)C;PDCWFZPLAUZNNL-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268388;MM268388;C=CC(C)C(N)CN(C)C;VDPKVPRBNHVLJN-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268389;MM268389;C=CC(N)C(O)CN(C)C;XBAOLCQRTDQSGX-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268390;MM268390;CC(C)CC(C)N(C)C=O;WQBCWKBCQVUGBW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268391;MM268391;CC(N)CC(C)N(C)C=O;YYNRBCKKCIEKNI-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268392;MM268392;CC(O)CC(C)N(N)C=N;VHIXAFGKIHHCON-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268393;MM268393;CC(F)CC(C)N(N)C=N;MUSDAXKXUZBLME-UHFFFAOYSA-N;147.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268394;MM268394;CC(CC(F)F)N(N)C=N;LDKBTVFPEKHEJG-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268395;MM268395;CC(CC(F)F)N(N)C=O;OVJVHMXGXAQKPT-UHFFFAOYSA-N;152.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268396;MM268396;C=NN(C)C(C)CC(C)C;KVWFDGCIAJTFIE-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268397;MM268397;C=NN(C)C(C)CC(C)F;DIHJNIKBDOUDNU-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268398;MM268398;CC(CN(C)C)N(C)C=O;KJLNTUHKESDAHE-UHFFFAOYSA-N;144.22;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268399;MM268399;C=NN(C)C(C)CN(C)C;TYKBYBATWIIDJA-UHFFFAOYSA-N;143.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268400;MM268400;C=CC(C)N(C)CC(C)O;FJANVCRFNSVZPG-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268401;MM268401;CC(C)CN(C)N(C)C=N;ROAIBHJDYCPUBH-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268402;MM268402;CC(N)CN(C)N(C)C=N;MRUFZPVSNNFIQM-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268403;MM268403;CN1CC1CC(C=O)CO;UKDCXSCBXLYHLK-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268404;MM268404;CNc1cc(CC=O)c[nH]1;OJNRLGHYJAKZNQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268405;MM268405;C#CC(N)C(C)CC(C)C;LJJBJPPWXNWFBB-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268406;MM268406;C#CC(O)C(C)CC(C)O;OULFIQIXFKCKFY-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268407;MM268407;C#CC(N)C(N)CC(C)C;JABGSDLJJMDKKB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268408;MM268408;C#CC(N)C(N)CC(C)F;GSPZHSLAXJATJZ-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268409;MM268409;C#CC(O)C(N)CC(C)C;UWFVZOAGSMXEJF-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268410;MM268410;C#CC(O)C(N)CC(C)F;LBCZUOWIZVOBOJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268411;MM268411;C#CC(N)C(O)CC(C)C;OSQZHZJZQKLSJJ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268412;MM268412;C#CC(N)C(O)CC(C)N;YXACSKYFQCPWNF-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268413;MM268413;C#CC(N)C(O)CC(C)F;SXGYBZKFPZQGRN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268414;MM268414;C#CC(O)C(O)CC(C)C;ZOZNRBLIQUCMBF-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268415;MM268415;C#CC(O)C(O)CC(C)N;BYYLGNRTTFXVOF-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268416;MM268416;C#CC(O)C(O)CC(C)O;MUPRHHKSNWXMJT-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268417;MM268417;C#CC(O)C(O)CC(C)F;SPBIREUTMLMYTR-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268418;MM268418;C#CC(F)C(O)CC(C)F;MHVOFNJRUMMNKJ-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268419;MM268419;C#CC(C)C(F)CC(C)N;TYDRCSRCKXKXRK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268420;MM268420;C#CC(C)C(F)CC(C)O;WPEWUNMCTXEVSA-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268421;MM268421;C#CC(O)C(F)CC(C)N;HDRQZELUNPLTMZ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268422;MM268422;C#CC(O)C(F)CC(C)O;HDMROZPWXDQCAP-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268423;MM268423;C#CC(O)C(F)CC(C)F;PDJDYHKSYTYERV-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268424;MM268424;C#CC(O)C(F)CC(F)F;AAUCEABBGNYMKH-UHFFFAOYSA-N;152.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268425;MM268425;C#CC(F)C(N)CN(C)C;JZLHBDJOSULJNP-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268426;MM268426;C#CC(C)C(O)CN(C)C;AJGVLMJFTBOSKA-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268427;MM268427;C#CC(N)C(O)CN(C)C;MSIJBGYEHJJKOW-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268428;MM268428;C#CC(O)C(O)CN(C)C;ZOXZVBLITPQHFC-UHFFFAOYSA-N;143.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268429;MM268429;CCC(C)C(C)CC(=N)N;ZHGPIVLOCNLGPD-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268430;MM268430;OCC=CC1CN1CCO;BBZVNJKXBQMYNP-UHFFFAOYSA-N;143.19;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268431;MM268431;CC(CN)C(C)CC(N)=O;XECQJVLMYCTEJU-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268432;MM268432;O=CC(CO)CCN1CC1;KMENSAXIILQLTQ-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268433;MM268433;C=C(F)CC(C)C(C)CN;IYTLKSSUEBWKEL-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268434;MM268434;C=C(C)CC(C)C(N)CF;LMMSXJJMJHYUKE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268435;MM268435;C=C(F)CC(C)C(N)CC;IHZWMJATSSCRJO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268436;MM268436;C=C(F)CC(C)C(N)CF;DMGJNYKPJWBLOV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268437;MM268437;COc1ccc(N)[nH]1;JPIPVECOSQIUJQ-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268438;MM268438;CCC(O)C(C)CC(C)=O;DGTJSBUONOFGBS-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268439;MM268439;CC(CC(N)=O)C(O)CF;VHUFDGFYEKMDCN-UHFFFAOYSA-N;149.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268440;MM268440;C=C(F)CC(C)C(O)CC;CCYCJNWWVYKWBD-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268441;MM268441;CCC(F)C(C)CC(=N)N;HYKAUJJIVBWVHL-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268442;MM268442;CC(CC(N)=O)C(F)CN;MXNONARYOZJGDG-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268443;MM268443;CC(CC(N)=O)C(F)CF;KDCAVEMKIYODJL-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268444;MM268444;CCC(F)C(C)CC(=O)O;QMPWZXSLSQZORM-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268445;MM268445;CC(CC(=O)O)C(F)CF;AASMPOPTVYFJFK-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268446;MM268446;CC(CN)C(N)CC(N)=O;NBIKUIVHVSRMMY-UHFFFAOYSA-N;145.21;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268447;MM268447;C=C(F)CC(N)C(C)CC;DTFDUTXXFMLZHZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268448;MM268448;C=C(C)CC(N)C(N)CN;GYKJXGSGQOBUCV-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268449;MM268449;C=C(F)CC(N)C(N)CF;UESPPZYRWHPFKS-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268450;MM268450;C=C(C)CC(N)C(O)CF;YYPVHVBXVNJULF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268451;MM268451;C=C(C)CC(N)C(F)CC;CDSVFRRUKAMJQG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268452;MM268452;C=C(C)CC(N)C(F)CN;UXAAMJMLIAKWBZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268453;MM268453;C=C(F)CC(N)C(F)CC;PNMSUNWFHYJNQV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268454;MM268454;C=C(F)CC(N)C(F)CN;QCXBEOCIYMUHFE-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268455;MM268455;C=C(F)CC(N)C(F)CF;SCYQNGWLIAUUBC-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268456;MM268456;CC(=O)CC(O)C(C)CO;HRJWRXRQUJRJIP-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268457;MM268457;N#CC(O)(C=NO)CF;GMVYJMLCWLISJI-UHFFFAOYSA-N;132.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268458;MM268458;C=C(F)CC(O)C(C)CO;WRHOZVRBGZHIID-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268459;MM268459;C=C(C)CC(O)C(N)CF;FYKVNJOUHUESGE-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268460;MM268460;N=C(N)CC(O)C(N)CO;UFYQSYQQOCBWNZ-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268461;MM268461;C=C(F)CC(O)C(N)CF;AWXLXNCYPGPYJH-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268462;MM268462;C=C(C)CC(O)C(O)CO;VZXSBIVAZFULII-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268463;MM268463;CCC(O)C(O)CC(C)=O;VOLXVDLZGXLUND-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268464;MM268464;CC(=O)CC(O)C(O)CO;BRCNMMGLEUILLG-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268465;MM268465;N=C(N)CC(O)C(O)CN;HKJQBLQHJJKWFT-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268466;MM268466;N=C(N)CC(O)C(O)CO;AVUIVEBGTRAUFZ-UHFFFAOYSA-N;148.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268467;MM268467;NC(=O)CC(O)C(O)CO;CSMDUQVKNYVBHA-UHFFFAOYSA-N;149.15;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268468;MM268468;C#Cc1onc(C)c1O;YOVUQYGELBSBSK-UHFFFAOYSA-N;123.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268469;MM268469;C=C(F)CC(O)C(O)CC;MCGDIRGXBBAEHL-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268470;MM268470;C=C(C)CC(O)C(F)CN;TVCHSSBLEWNEPF-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268471;MM268471;N=C(N)CC(O)C(F)CO;UZHJORBSRHUEFB-UHFFFAOYSA-N;150.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268472;MM268472;C=CC(=CC(=O)O)CC=O;JIBOJVZVYNEWTM-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268473;MM268473;C=C(C)CC(F)C(C)CN;ITLLFZHDFJZHEW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268474;MM268474;C=C(C)CC(F)C(C)CF;VEFLAYLKVWKSAZ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268475;MM268475;CCC(C)C(F)CC(=N)N;NHYFWIYXCOCXOH-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268476;MM268476;CC(CF)C(F)CC(=N)N;NYSWAJRZUSTKLI-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268477;MM268477;CCC(C)C(F)CC(N)=O;GNBZZEMDDNLEJR-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268478;MM268478;CC(CN)C(F)CC(N)=O;MZEUVGOFUHFUAW-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268479;MM268479;CC(CF)C(F)CC(N)=O;WBCISEPNLAUYEM-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268480;MM268480;CC(CF)C(F)CC(=O)O;HKJAOYSBXSJTNI-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268481;MM268481;C=C(F)CC(F)C(C)CF;XJBGTBKEVBIYBT-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268482;MM268482;CCC(N)C(F)CC(=N)N;VIGAWXSWWPHBQV-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268483;MM268483;C=C(F)CC(F)C(N)CN;YLZATBDJMBSAEQ-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268484;MM268484;C=C(C)CC(F)C(F)CC;YDOUSCBCWJXSJN-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268485;MM268485;C=C(C)CC(F)C(F)CN;PCAQYOIRZBRPSE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268486;MM268486;CCC(F)C(F)CC(=N)N;URIAMVJOVSHJQY-UHFFFAOYSA-N;150.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268487;MM268487;CCC(F)C(F)CC(N)=O;UZCZUNCYCRKPJQ-UHFFFAOYSA-N;151.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268488;MM268488;CCC(F)C(F)CC(=O)O;TUONXLVTMMTMLY-UHFFFAOYSA-N;152.14;1.55;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268489;MM268489;C=C(C)CC(C)C(C)NC;RBFHDTIFOCATGR-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268490;MM268490;CNC(C)C(C)CC(C)=O;PTWLYJNXGYEAAQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268491;MM268491;CNC(C)C(C)CC(=N)N;RYJHHMJJSDBIMY-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268492;MM268492;CNC(C)C(C)CC(N)=O;LYPOUUIFWGIBLP-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268493;MM268493;C=C(F)CC(C)C(C)NC;RGFJOVUVBPZXNH-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268494;MM268494;C=C(F)CC(F)C(C)NC;LBRKTYUAJUKZTK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268495;MM268495;C=C(F)CC(N)C(C)OC;GNKMJJVOYPORFH-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268496;MM268496;COC(C)C(O)CC(C)=O;AKEUSAQSNSRWEQ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268497;MM268497;COC(C)C(O)CC(=N)N;WGBCFRPJTUGICV-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268498;MM268498;COC(C)C(O)CC(N)=O;XKAKXQUJQRGWMZ-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268499;MM268499;C=C(F)CC(O)C(C)OC;NZLJZVCZIXXUER-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268500;MM268500;COC(C)C(F)CC(N)=O;XCHNOZXKWYVBQD-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268501;MM268501;CCC(C)C(C)NC(C)=N;FACOCNLKZKZWDQ-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268502;MM268502;CC(=N)NC(C)C(C)CN;HCTAALDTNOGUSG-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268503;MM268503;CC(=N)NC(C)C(C)CF;LUUSREXVXRQSDZ-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268504;MM268504;C=NOCCC(C)(C)O;JHOLAHSPYSVIBE-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268505;MM268505;CC(=O)NC(C)C(C)CF;OLRDSEVMTYSZKN-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268506;MM268506;CCC(C)C(C)NC(=N)N;KQDRLYPNNAWRMY-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268507;MM268507;CC(=O)NC(C)C(N)CO;IGJGWBGFOZRLSY-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268508;MM268508;CCC(N)C(C)NC(=N)N;MDAQZRGXUCYTPG-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268509;MM268509;CCC(O)C(C)NC(C)=N;MMVZFXRMKXLJRI-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268510;MM268510;CC(=N)NC(C)C(O)CF;PDFUEDINLCGLGB-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268511;MM268511;CCC(O)C(C)NC(C)=O;OTDAUCSBBYTJHP-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268512;MM268512;CCC(O)C(C)NC(=N)N;WWWCIUNZLOANRG-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268513;MM268513;CCC(O)C(C)NC(N)=O;NKIJYWVEWZVXGZ-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268514;MM268514;CCC(F)C(C)NC(C)=N;VCCCMVBNKYZHIT-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268515;MM268515;CCC(F)C(C)NC(C)=O;SAGZPGFXQNRPCF-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268516;MM268516;CC(=O)NC(C)C(F)CN;NGLCSUDGFVJSEI-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268517;MM268517;CC(=O)NC(C)C(F)CF;HQLFJRMPJBRPQR-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268518;MM268518;CC(NC(=N)N)C(F)CF;PECVDPOYXHOKOD-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268519;MM268519;CC(NC(N)=O)C(F)CF;UGVNNANKVUFISW-UHFFFAOYSA-N;152.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268520;MM268520;CNC(C)C(C)NC(C)=N;DAMWUHCAARLAAP-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268521;MM268521;CNC(C)C(C)NC(N)=O;AJRVCBCZUVDIQG-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268522;MM268522;COC(C)C(C)NC(=N)N;JDVBEKURNHNTIK-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268523;MM268523;COC(C)C(C)NC(N)=O;DJYBSUCTMFLTTM-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268524;MM268524;CC(CN)C(C)OC(=N)N;CYHQWXHVYDPEPF-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268525;MM268525;CCC(C)C(C)OC(N)=O;SXDMZRYCPGSWPW-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268526;MM268526;C=C(C)OC(C)C(N)CN;PAKYVNMARSURIE-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268527;MM268527;C=C(C)OC(C)C(N)CF;ZSAFJQULBVEJJU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268528;MM268528;CCC(N)C(C)OC(=N)N;MXACQUQBTKCIMP-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268529;MM268529;CCC(N)C(C)OC(N)=O;CIKMVSAYTNREAV-UHFFFAOYSA-N;146.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268530;MM268530;C=C(C)OC(C)C(O)CC;DLQVXAFRMFHZTI-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268531;MM268531;C=C(C)OC(C)C(O)CO;SPVATVTZKIMXQS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268532;MM268532;CCC(O)C(C)OC(=N)N;FJELWSFJMHBUBH-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268533;MM268533;CCC(O)C(C)OC(N)=O;CFHFXVRSKUWJNN-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268534;MM268534;CC(=O)OC(C)C(F)CN;CGEPGVQDHDFJJC-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268535;MM268535;CCC(F)C(C)OC(=N)N;BEWSMFDKQSFZCQ-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268536;MM268536;CC(OC(N)=O)C(F)CN;VVVYVFPJLYYJLR-UHFFFAOYSA-N;150.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268537;MM268537;C=C(C)OC(C)C(C)NC;NCEMIFTUVHVTTL-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268538;MM268538;CNC(C)C(C)OC(=N)N;FZDMFGLGJTWSKR-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268539;MM268539;COC(C)C(C)OC(N)=O;RDRXFJTUGFIOGH-UHFFFAOYSA-N;147.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268540;MM268540;CC(CN)N(C)CC(=N)N;GXAKOVJRNJQQRM-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268541;MM268541;CC(=N)NN(C)C(C)CF;OYXPHRVPGSNZQX-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268542;MM268542;Cn1c(=O)nc(N)n1N;FFKMVIJIDREEKA-UHFFFAOYSA-N;129.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268543;MM268543;CCCc1cc(C)[nH]n1;KYXQTGAWIVEDFA-UHFFFAOYSA-N;124.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268544;MM268544;CCC(C)N(C)NC(=N)N;VDDAATBCFBSOGD-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268545;MM268545;CC(CN)N(C)NC(N)=O;JBTKZYJZIHTPSA-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268546;MM268546;C=C(C)CC(C)C(C)C=O;KWNMVOGWQVYRMO-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268547;MM268547;C=CC(C)C(C)CC(=N)N;ROFXMEVRPQVDAX-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268548;MM268548;CC(C=O)C(C)CC(=N)N;GWFKXDSYBVKABX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268549;MM268549;C=CC(=O)C(C#N)NC;VEQUDBSCPFHNHA-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268550;MM268550;CC(C#N)C(C)CC(=O)O;JMVMFCAADNJHAB-UHFFFAOYSA-N;141.17;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268551;MM268551;C=C(F)CC(C)C(C)C=O;LFCIETSGTNAZCZ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268552;MM268552;C=CC(N)C(C)CC(N)=O;UFCIICFSBGWUDF-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268553;MM268553;CC(=O)CC(C)C(O)C=O;CYCXBNIOTPMRJZ-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268554;MM268554;On1nnnc2ncnc1-2;MDBWCVMKOWEPSS-UHFFFAOYSA-N;138.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268555;MM268555;C=C(C)CC(C)C(F)C=O;OBQJMBZVOXCBFK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268556;MM268556;CC(CC(N)=O)C(F)C=O;WAYROXSXNSMUSH-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268557;MM268557;C=CC(C)C(N)CC(N)=O;YOXNYQLSVJWVQI-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268558;MM268558;C=CC(C)C(N)CC(=C)F;CPMBZSLLNNJADD-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268559;MM268559;C=CC(N)C(N)CC(=C)F;QFXDCCGPHGFYGN-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268560;MM268560;C=CC(O)C(N)CC(=C)C;OISJYBRWCXESEQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268561;MM268561;C=C(C)CC(O)C(C)C#N;HOGYTPODSVEAHV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268562;MM268562;CC(=O)CC(O)C(C)C=O;BMUAYZXSTAYWBX-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268563;MM268563;C=CC(C)C(O)CC(=N)N;FFJWLZXKQOYHQM-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268564;MM268564;CC(C#N)C(O)CC(N)=O;PUUKQLWCEARLAQ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268565;MM268565;C=C(F)CC(O)C(C)C=O;UGSYWSNLZBPXAF-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268566;MM268566;C=C(F)CC(O)C(C)C#N;GXQSGKSUAOHECB-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268567;MM268567;C=CC(N)C(O)CC(=C)C;YONXYEKPMBJPRI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268568;MM268568;C=CC(O)C(O)CC(C)=O;CGUHIDCMTSYIFN-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268569;MM268569;CC(=O)CC(O)C(O)C#N;YHXRLPFOFCKJQP-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268570;MM268570;N#CC(O)C(O)CC(=N)N;YODHDYUYHAAVPV-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268571;MM268571;N#CC(O)C(O)CC(N)=O;CBULYEJOMIPAEY-UHFFFAOYSA-N;144.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268572;MM268572;COC(=O)OC(C#N)=NO;IBGFYAZZVFFHTN-UHFFFAOYSA-N;144.09;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268573;MM268573;CCC=CCOCC(=O)O;AQTZUPUKNXTLAH-UHFFFAOYSA-N;144.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268574;MM268574;C=C(F)CC(O)C(O)C=O;MBFXNHQSLVCETI-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268575;MM268575;C=CC(F)C(O)CC(=N)N;JGSQNUBWHXQTAH-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268576;MM268576;N=C(N)CC(O)C(F)C=O;QWJOKXLMOYAIRP-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268577;MM268577;N#CC(F)C(O)CC(=N)N;INWZBHCLVBXEFL-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268578;MM268578;C=C(F)CC(O)C(F)C=O;LWAIDVDNMPCSKH-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268579;MM268579;C=CC(C)C(F)CC(C)=O;QFCAOGLFROWIII-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268580;MM268580;C=CC(C)C(F)CC(=N)N;JRDGYZQUCLPNHI-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268581;MM268581;CC(C=O)C(F)CC(=N)N;YRNNXLQSSCPOID-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268582;MM268582;C=CC(C)C(F)CC(N)=O;OSZLFPHFJPYTNV-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268583;MM268583;CC(C=O)C(F)CC(N)=O;XMHRMXPYESPDOL-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268584;MM268584;C=CC(C)C(F)CC(=O)O;CEFSYEBYSYURLV-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268585;MM268585;C=CC(O)C(F)CC(=N)N;OUARGMHAUUKNJP-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268586;MM268586;N#CC(O)C(F)CC(=N)N;WCCVDJVVLCNUHJ-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268587;MM268587;C=CC(O)C(F)CC(N)=O;QYIXNZYAOHOEAD-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268588;MM268588;N#CC(O)C(F)CC(N)=O;NNBWZVNXFGYBLU-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268589;MM268589;C=CC(C)C(C)NC(C)=N;NKXFVGCWSLJDQO-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268590;MM268590;CC(N)=NC(C)C(C)C=O;CDVZLPSXIFWRPT-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268591;MM268591;CNc1c[nH]c(CF)n1;QSSPKTJIRIYLAC-UHFFFAOYSA-N;129.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268592;MM268592;CC(C=O)C(C)NC(=N)N;CRLSUXBOCUOEJK-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268593;MM268593;CC(C#N)C(C)NC(=N)N;TVKNZOTXMJKJKE-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268594;MM268594;CC(C=O)C(C)NC(N)=O;SJWNBNNZCZCFSI-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268595;MM268595;CC(C#N)C(C)NC(N)=O;CMHQVKYQMHZVRA-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268596;MM268596;C=CC(N)C(C)NC(C)=O;JCQVPQJUYAFRNF-UHFFFAOYSA-N;142.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268597;MM268597;CC(N)=NC(C)C(O)C=O;OCDIZVQCSGYSFO-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268598;MM268598;CC(=O)NC(C)C(O)C=O;RPQRQFFLOVFCFL-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268599;MM268599;CC(NC(=N)N)C(F)C#N;WCLHNOCNUOLNFF-UHFFFAOYSA-N;144.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268600;MM268600;CC(NC(N)=O)C(F)C#N;ZCNWVRUHSCRQNA-UHFFFAOYSA-N;145.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268601;MM268601;CC(=O)OC(C)C(C)C=O;MGZYGQQVQZBHIQ-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268602;MM268602;CC(=O)OC(C)C(C)C#N;MHDQMOMBNZZXEE-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268603;MM268603;CC(C=O)C(C)OC(=N)N;YOPJAHZBJVICON-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268604;MM268604;CC(C#N)C(C)OC(=N)N;DFRHFRKLFROINH-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268605;MM268605;C=CC(C)C(C)OC(N)=O;ROWDURZBISCGSE-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268606;MM268606;C=CC(N)C(C)OC(N)=O;KYJFFKKUFHZZJJ-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268607;MM268607;C=C(C)OC(C)C(O)C#N;ZKTSDKPREGZEFN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268608;MM268608;C=CC(O)C(C)OC(C)=O;JPWOPKXQFMNFPI-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268609;MM268609;C=CC(F)C(C)OC(=N)N;QGEJAKKZIQGFMM-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268610;MM268610;CC(OC(N)=O)C(F)C#N;AJCYVOHCCYCZFV-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268611;MM268611;C=C(C)CC(C)N(N)C=O;WNTWONCFVIIPCD-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268612;MM268612;C=C(F)CC(C)N(N)C=N;AWGPSDATIMBAII-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268613;MM268613;C=NN(C)C(C)CC(=C)C;HCVBLCQBCRQATP-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268614;MM268614;CC(C)(C(=O)O)C1CO1;NCRXZUPNACANFA-UHFFFAOYSA-N;130.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268615;MM268615;C=CC(C)N(C)CC(=C)C;WFDNPPLTEWDGJF-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268616;MM268616;CCn1cnc(NC)n1;SOAKXRVKQIHPBM-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268617;MM268617;CC(C#N)N(C)CC(=N)N;UJHNRCCUMJWHQA-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268618;MM268618;CCc1n[nH]n(C)c1=O;STKSUJIACLFOCK-UHFFFAOYSA-N;127.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268619;MM268619;CNN=CC(F)=CC(N)=O;OCZWNUVEXFFZBS-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268620;MM268620;C=C(F)CN(C)C(C)C#N;MWXSPLOWOVFJBR-UHFFFAOYSA-N;142.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268621;MM268621;CC(C=O)N(C)NC(=N)N;LFGMFAYZUJYTTL-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268622;MM268622;CN(C=N)N(C)CC(=N)N;KCABKOWDZXAYHC-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268623;MM268623;CN(C=O)N(C)CC(=N)N;FYTZBCSBXBXYDW-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268624;MM268624;CN(C=N)N(C)CC(N)=O;QWEKWKNYGCQBKS-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268625;MM268625;C#CC(C)C(C)CC(=C)C;ODDQZKAUMHNPKJ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268626;MM268626;CN(NCC(N)=O)C(N)=O;KMRDSVVNCYEROO-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268627;MM268627;C#CC(O)C(C)CC(N)=O;YUMDQSNRDPXLJO-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268628;MM268628;C#CC(O)C(C)CC(=C)F;HCTHQEXXNSNWBM-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268629;MM268629;C#CC(N)C(O)CC(=C)F;QJTMNTDSQHPQBF-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268630;MM268630;C#CC(O)C(O)CC(=C)C;CEOJBRIGZZBNHK-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268631;MM268631;C#CC(O)C(O)CC(=N)N;DTQIWQVSGGPKQR-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268632;MM268632;C#CC(O)C(O)CC(=C)F;YRTASRZHAMKNTH-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268633;MM268633;C#CC(F)C(O)CC(N)=O;MDDZWUIYSLXRAS-UHFFFAOYSA-N;145.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268634;MM268634;O=c1[nH]oc(=NCCO)[nH]1;QSDIBKPMUDDFAG-UHFFFAOYSA-N;145.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268635;MM268635;C#CC(C)C(C)NC(C)=O;BTFRJDIOLJZYIM-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268636;MM268636;C#CC(O)C(C)NC(C)=O;OLYXEPHHCQQDPW-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268637;MM268637;C#CC(C)C(C)OC(N)=O;JTUJSZQCTIKUDM-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268638;MM268638;C#CC(C)N(C)CC(=C)C;CNHVTEZWFJWZOT-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268639;MM268639;C#CC(C)N(C)NC(C)=O;FQXWVRXQCQQBDA-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268640;MM268640;C#CC(C)N(C)NC(N)=O;UJUGCJCOEVXSPM-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268641;MM268641;CC(=NN)C(F)=CC(N)=O;PPMPOIXMGINLKK-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268642;MM268642;C=C(CN)C(C)CC(C)N;PSRSKEJZYKBJND-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268643;MM268643;C=C(CN)C(C)CC(C)O;PMXHFZQXCUOSJU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268644;MM268644;NC(=O)N(N)C=CCCF;CYJDMGZJUWFWDE-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268645;MM268645;CCC(=O)C(C)CC(C)C;MZTSMUNNNLVGKC-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268646;MM268646;CCC(=O)C(C)CC(C)O;QNEMOJXDBZQRHG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268647;MM268647;CC(O)CC(C)C(=O)CF;LMNIITUYPGGAHT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268648;MM268648;C=C(CO)C(N)CC(C)C;GVERHYWNEVEHSB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268649;MM268649;C=C(CC)C(N)CC(C)O;NWIFFMXRMISQCE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268650;MM268650;C=C(CC)C(N)CC(C)F;UXHMUDMNGSOCJK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268651;MM268651;C=C(CN)C(N)CC(C)F;SMBMSCMEHPZKCN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268652;MM268652;C=C(CF)C(N)CC(C)F;LZUFAIILLHATEH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268653;MM268653;C=C(CC)C(N)CC(F)F;PPDHJEXTXBZOIB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268654;MM268654;C=C(CN)C(O)CC(C)C;SZPGWSYRCYMSGQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268655;MM268655;CCC(=O)C(O)CC(F)F;XJHFYHXVFMNMNF-UHFFFAOYSA-N;152.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268656;MM268656;C=C(CO)C(F)CC(C)C;MDXHAFPOIVWRER-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268657;MM268657;C=C(CC)C(F)CC(C)N;UBPRGTUPKWEQON-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268658;MM268658;C=C(CF)C(F)CC(C)N;WLQYKEKHGATRBR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268659;MM268659;C=C(CC)C(F)CC(C)O;NPQSTCDZZGSKHG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268660;MM268660;C=C(CN)C(F)CC(C)F;FKWZEFIFRPRJLC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268661;MM268661;C=C(CC)C(F)CC(F)F;VXIPEGZUBZSOSP-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268662;MM268662;C=C(CN)C(F)CC(F)F;JDZASXDCOYSFSR-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268663;MM268663;CCC(=O)C(F)CC(C)O;IGCWWCXQFWSJLE-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268664;MM268664;CC(O)CC(F)C(=O)CO;KPCGACKAFGCOIZ-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268665;MM268665;CC(C)CC(C)C(=N)NO;LUBKKIIAKIWDOL-UHFFFAOYSA-N;144.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268666;MM268666;CC(O)CC(C)C(=N)NN;CYEKEYAPJJNLBP-UHFFFAOYSA-N;145.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268667;MM268667;CC(O)CC(C)C(=N)NO;DNJRHAVTJXRQKV-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268668;MM268668;CC(F)CC(C)C(=N)NO;NMXPCSAHNWNCTO-UHFFFAOYSA-N;148.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268669;MM268669;CC(CC(F)F)C(=N)NN;JOSKTJZMPLEXHM-UHFFFAOYSA-N;151.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268670;MM268670;CC(CC(F)F)C(=N)NO;DIHLVUQQMWPYJO-UHFFFAOYSA-N;152.14;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268671;MM268671;N=C(C=CN)N(N)C(N)=O;OMBNVDIEIBAULO-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268672;MM268672;CC(C)CC(C)C(=O)NO;ITZOUCOAAWYIOZ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268673;MM268673;CNC(=O)C(C)CC(F)F;WMMZHRZJYCYNHA-UHFFFAOYSA-N;151.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268674;MM268674;N=C(NN)C(F)C(F)=CF;RZOSUFUEPXQFQY-UHFFFAOYSA-N;153.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268675;MM268675;CNC(=N)C(N)CC(C)F;XXAPFSCDZHSRBR-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268676;MM268676;N=C(NO)C(N)CC(F)F;ZRCXYQHPBDYZSE-UHFFFAOYSA-N;153.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268677;MM268677;CNC(=N)C(O)CC(C)C;SLQKOKATDWENGO-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C3";;;;;;;0.59;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268678;MM268678;CNC(=N)C(O)CC(C)N;AVEKSDFCQHTQSH-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268679;MM268679;CC(N)CC(O)C(=N)NO;IAFDXPRUSZNIGB-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268680;MM268680;CNC(=N)C(O)CC(C)O;ZLOKMRZXPLYMKA-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268681;MM268681;CC(O)CC(O)C(=N)NN;PYZRYFPEDCOONO-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268682;MM268682;CC(O)CC(O)C(=N)NO;DMUVYZCOSVJRTM-UHFFFAOYSA-N;148.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268683;MM268683;CNC(=N)C(O)CC(C)F;OPWPXHPHLQCJRT-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268684;MM268684;CC(F)CC(O)C(=N)NN;CWVIDFKNZWAGKX-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268685;MM268685;CC(F)CC(O)C(=N)NO;COOGFAQXTYXJDM-UHFFFAOYSA-N;150.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268686;MM268686;N=C(NN)C(O)CC(F)F;PRALLAZCIYAECU-UHFFFAOYSA-N;153.13;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268687;MM268687;N=C(NO)C(O)CC(F)F;KPMSDXCDUIDWNU-UHFFFAOYSA-N;154.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268688;MM268688;CNC(=O)C(O)CC(C)N;NNLUPZYUTZVSNX-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268689;MM268689;CC1(C#N)NC1CNC=O;FUNDTARWFSRRFI-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268690;MM268690;CNC(=O)C(O)CC(F)F;XFEVBIWEFAXSGR-UHFFFAOYSA-N;153.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268691;MM268691;O=C(NO)C(O)CC(F)F;ZIGVHKHQMVDXIQ-UHFFFAOYSA-N;155.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268692;MM268692;CNC(=O)C(F)CC(C)C;FAAOOAYKFQGBTJ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268693;MM268693;C=NOC(OC)C(C)CO;ZIHAHGRDQIQJIQ-UHFFFAOYSA-N;147.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268694;MM268694;CNC(=O)C(F)CC(C)O;YLPXMYYTLMFYMH-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268695;MM268695;CNC(=O)C(F)CC(C)F;RBVBAUILVNRRGP-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268696;MM268696;CNC(=O)C(F)CC(F)F;RRLIJVWNAPTQIF-UHFFFAOYSA-N;155.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268697;MM268697;COC(=O)C(C)CC(C)O;XLCGFOOKLFEYKJ-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268698;MM268698;COC(=O)C(C)CC(C)F;BKGGHWYCMJWOFD-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268699;MM268699;C=C(OC)C(N)CC(C)F;IKRZOARFXOOGCB-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268700;MM268700;C=C(OC)C(O)CC(C)N;ZQIPJIQEYCSLHQ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268701;MM268701;COC(=O)C(O)CC(C)C;JOSNYUDSMPILKL-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268702;MM268702;C=C(OC)C(F)CC(C)N;UGKMUWGBIHDDPO-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268703;MM268703;COC(=O)C(F)CC(C)F;ZTDZSUCTGUXLRG-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268704;MM268704;C=C(CC)C(C)NC(C)C;ZUYYMGBDXXDIGQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268705;MM268705;C=C(CN)C(C)NC(C)C;FGBDJWVNRSIRNK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268706;MM268706;CC(C)NC(C)C(=O)CF;NITOLCLMEFUUAC-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268707;MM268707;CC(C)NC(C)C(=N)NN;RFSWAGOPFBGKRL-UHFFFAOYSA-N;144.22;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268708;MM268708;CC(C)NC(C)C(=N)NO;RNQXGSSNDBSTGZ-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268709;MM268709;CC(C)NC(C)C(=O)NN;MRWVJIGEHHULME-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268710;MM268710;CC(C)OC(C)C(=N)NN;DHNFWRDMNKTKNQ-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268711;MM268711;C=C(CO)C(C)CN(C)C;MBRFVGQMLVZESR-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268712;MM268712;CCC(=O)C(C)CN(C)C;QVWGKOYVOZJNRJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268713;MM268713;C=C(CC)C(O)CN(C)C;CQGBZBUVRSCRJA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268714;MM268714;C=C(CN)C(O)CN(C)C;QXHLAAYJUMUKKF-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268715;MM268715;CNC(=N)C(C)CN(C)C;ZFEXXSLNCZQQKC-UHFFFAOYSA-N;143.23;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268716;MM268716;CNC(=N)C(N)CN(C)C;HOMRHYKWSUMQTP-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268717;MM268717;CNC(=O)C(N)CN(C)C;TVCIHQMJVCURFN-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268718;MM268718;CNC(=N)C(O)CN(C)C;ZVLUYFKETARQBR-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268719;MM268719;CN(C)CC(O)C(=N)NN;UIWYKSAIWKFFGA-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268720;MM268720;CN(C)CC(O)C(=N)NO;VNIHJQAEVTXLJC-UHFFFAOYSA-N;147.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268721;MM268721;CNC(=O)C(O)CN(C)C;WMXZJWYLTDQKDA-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268722;MM268722;CN(C)CC(O)C(=O)NN;SSHOTOTXAJJYHA-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268723;MM268723;C=C(OC)C(N)CN(C)C;OUKAIWIWBRNCTN-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268724;MM268724;CC(N)CN(C)C(=N)CO;QYCURLDNKMJXOV-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268725;MM268725;CC(N)CN(C)C(=N)CF;VWZQBNYYEDKLKW-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268726;MM268726;CC(O)CN(C)C(=N)CO;BTLPWYWDIDZTQW-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268727;MM268727;CC(N)CN(C)C(=O)CO;CPDOYKQAJNQBMQ-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268728;MM268728;CC(F)CN(C)C(=O)CO;ZCQXDMBVFSOUKU-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268729;MM268729;CCC(=N)N(N)CC(C)O;HCVOWHAHIARIFF-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268730;MM268730;CC(O)CN(N)C(=N)CO;YWTZZONWZYCDAY-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268731;MM268731;C=C(F)C(CO)CC=NN;HMXPTVSSLANDRL-UHFFFAOYSA-N;146.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268732;MM268732;CNN(CC=CF)C(N)=O;PYTQXAWMGJKKSA-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268733;MM268733;CC(C)CN(C)C(=N)NN;YNUBQWWJFVZHTF-UHFFFAOYSA-N;144.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268734;MM268734;CNC(=N)N(C)CC(C)N;SPRNEDRDDCSADI-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268735;MM268735;CC(N)CN(C)C(=N)NO;ZGNUQILOSOPYHS-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268736;MM268736;CNC(=N)N(C)CC(C)O;GDYRJDRVMHYNKF-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268737;MM268737;CC(O)CN(C)C(=N)NN;PCOAMWPPGHMAPV-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268738;MM268738;CC(O)CN(C)C(=N)NO;PMNAZVMJBOQALT-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268739;MM268739;CNC(=O)N(C)CC(C)N;SSHGLLCISJFYCJ-UHFFFAOYSA-N;145.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268740;MM268740;CNC(=O)N(C)CC(C)O;OZERGAYTCFEOLQ-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268741;MM268741;CC(O)CN(C)C(=O)NO;BTNFYUZPCJUSEN-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268742;MM268742;CCCn1cnc(NC)n1;PSKZOFVOGLIRQU-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268743;MM268743;CC(F)CN(C)C(=O)NO;ZGAUKJOIGAGEKQ-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268744;MM268744;CNC(=N)N(N)CC(C)O;DEGXTFXVQZTLPY-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268745;MM268745;CC(O)CN(N)C(=N)NN;QVYGAFFORWSWCQ-UHFFFAOYSA-N;147.18;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268746;MM268746;CC(O)CN(N)C(=N)NO;LIXDTXZWOHMOQV-UHFFFAOYSA-N;148.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268747;MM268747;CC(F)CN(N)C(=N)NN;SJDWHCQWAGLVGC-UHFFFAOYSA-N;149.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268748;MM268748;CC(F)CN(N)C(=N)NO;LANNIPYTWNLIOI-UHFFFAOYSA-N;150.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268749;MM268749;C#CCn1cnc(NC)n1;MODJUJVKSPTAIU-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268750;MM268750;CNc1ncn(C)n1;IVQDYPSUXNDIKE-UHFFFAOYSA-N;112.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268751;MM268751;CC(O)CN(N)C(=O)NO;JYGZLVNVNOAXRM-UHFFFAOYSA-N;149.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268752;MM268752;C=NOCC1CC1O;WHJWVJQEHAMGMJ-UHFFFAOYSA-N;115.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268753;MM268753;CC(F)CN(N)C(=O)NO;HYXWDANVMRDLQP-UHFFFAOYSA-N;151.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268754;MM268754;CNC(=N)N(O)CC(C)N;KBOPXEZHKRPCSF-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268755;MM268755;CC(N)CN(O)C(=N)NO;QKRAZEIJRMBXPM-UHFFFAOYSA-N;148.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268756;MM268756;CNC(=N)N(O)CC(C)O;BPRSYTMZOCDDJJ-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268757;MM268757;CC(O)CN(O)C(=N)NN;NTDNFWNGBCVGCW-UHFFFAOYSA-N;148.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268758;MM268758;CNC(=N)N(O)CC(C)F;QYEJTFNVBLUDEC-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268759;MM268759;CC(F)CN(O)C(=N)NN;AZHGANOOSMSJRV-UHFFFAOYSA-N;150.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268760;MM268760;CNC(=O)N(O)CC(C)N;IKKPIHMVQKIKFE-UHFFFAOYSA-N;147.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268761;MM268761;CNC(=O)N(O)CC(C)O;YLAQDHIEJWZYOW-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268762;MM268762;CC(O)CN(O)C(=O)NN;RZJRHEJSGXXNPP-UHFFFAOYSA-N;149.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268763;MM268763;CNC(=O)N(O)CC(C)F;NLXRFNIRSUUUMN-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268764;MM268764;CC(F)CN(O)C(=O)NN;BHVBNGFVBNYSEI-UHFFFAOYSA-N;151.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268765;MM268765;COC(=O)N(C)CC(C)F;WZXWZPPUSRKFMA-UHFFFAOYSA-N;149.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268766;MM268766;C=NNC=NCC(F)F;QMGHWCNXSYMDRK-UHFFFAOYSA-N;135.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268767;MM268767;CCC(=N)N(C)NC(C)C;SWXHLLNCAQZNIB-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268768;MM268768;CNC(=N)N(C)NC(C)C;RXADJPRUAIEOAK-UHFFFAOYSA-N;144.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268769;MM268769;COC(=O)N(C)OC(C)C;UNUWCNMZTCUDGE-UHFFFAOYSA-N;147.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268770;MM268770;COC=NOCC(N)=O;OEEIGZFRARXIES-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268771;MM268771;C=CC(=CC#N)C(N)=O;RPCNRDGXAJKGPU-UHFFFAOYSA-N;122.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268772;MM268772;Cc1cc(N)[nH]c1C#N;PVRZVWVMUAUBBD-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268773;MM268773;C=C(C=O)C(C)CC(C)F;ZUXGTHXAWHEECV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268774;MM268774;C=CC(=C)C(C)CC(F)F;GIAQGCYRKRAIDC-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268775;MM268775;C=C(C=O)C(C)CC(F)F;AMZDBHOLYDCXTE-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268776;MM268776;CC(C)CC(C)C(=O)C#N;ROHUYOHEZNIFEI-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268777;MM268777;C=CC(=O)C(C)CC(C)O;RKPNRZJWHOYLDC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268778;MM268778;C=CC(=O)C(C)CC(C)F;FHTVKXQRLOXGAD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268779;MM268779;CC(F)CC(C)C(=O)C#N;LPRATDZECUREJA-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268780;MM268780;C=CC(=O)C(C)CC(F)F;ZNDFIEDRWIDDKP-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268781;MM268781;C=CC(=C)C(N)CC(C)O;NCWQHUANWPAPDT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268782;MM268782;C=CC(=C)C(N)CC(F)F;XGPHPYXVNRGTGC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268783;MM268783;C=C(C#N)C(O)CC(F)F;ZNWXBWVKRQVXAI-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268784;MM268784;C=C(C=O)C(F)CC(C)C;VOUZGWLXPJGWRB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268785;MM268785;C=C(C=O)C(F)CC(C)O;AOVCWZSAZVXXDH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268786;MM268786;C=CC(=C)C(C)NC(C)C;CBBMUMUJVHNAEY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268787;MM268787;C=C(C=O)C(C)NC(C)C;JRTNYOUQUMLGNC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268788;MM268788;C=CC(=O)C(C)NC(C)C;LSPYYYLZOOTZFY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268789;MM268789;CC1C(CO)C=NN1C;USYWHVLZYUHVRZ-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268790;MM268790;CC(C)OC(C)C(=O)C=O;FWTKFHJLEUETTM-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268791;MM268791;C=C(C#N)C(C)CN(C)C;UXRATKXWSKWFRY-UHFFFAOYSA-N;138.21;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268792;MM268792;C=CC(=N)N(C)CC(C)F;BNDACTQHBQYWJA-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268793;MM268793;CN(CC(F)F)C(=N)C=O;YVOIQZHFFVQHFJ-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268794;MM268794;CN(CC(F)F)C(=N)C#N;QGPOQSCZBHUIPT-UHFFFAOYSA-N;147.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268795;MM268795;C=CC(=O)N(C)CC(C)C;GSDIDNBBKVEFAZ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268796;MM268796;CC(O)CN(C)C(=O)C=O;DJMXZPKIMTZXGK-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268797;MM268797;CC(O)CN(C)C(=O)C#N;UXHPMYBFIKBGAA-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268798;MM268798;CN(CC(F)F)C(=O)C#N;RRVPWMLDKXTHHY-UHFFFAOYSA-N;148.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268799;MM268799;C=CC(=N)N(N)CC(F)F;NXLKOTALSBHOKK-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268800;MM268800;C=CC(=N)N(O)CC(C)N;YUDNDBFUCJGTPW-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268801;MM268801;NN=COCC1CC1O;WWQNIVZFDLBYNK-UHFFFAOYSA-N;130.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268802;MM268802;CC=NOCC1CC1O;CQMVTXJJIVRXKB-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268803;MM268803;C=CC(=N)N(O)CC(C)F;LTEBNUSAXKRTOB-UHFFFAOYSA-N;146.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268804;MM268804;C#CC(=C)C(C)CC(C)N;HPUCCLUDBGNGSD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268805;MM268805;C=CC(CO)C(C)=NN;AFCNYENGPRMMDN-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268806;MM268806;C#CC(=C)C(N)CC(C)N;VYVLFTIRYSXNNS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268807;MM268807;C#CC(=O)C(F)CC(C)O;GVOFPOLCBIINMW-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268808;MM268808;C#CC(=C)C(C)NC(C)C;JXRFIEMYQTWNID-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268809;MM268809;C#CC(=C)C(O)CN(C)C;VXEMVZJYMJTZDG-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268810;MM268810;C#CC(=N)N(C)CC(F)F;AFSYIGUTGULNHO-UHFFFAOYSA-N;146.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268811;MM268811;C#CC(=O)N(C)CC(F)F;KSISZUXMAJNOAF-UHFFFAOYSA-N;147.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268812;MM268812;C#CC(=N)N(N)CC(C)C;ZRLTYOANPDRTLV-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268813;MM268813;C=C(F)CCN(N)C(N)=O;XHMJDPBXPIMQEI-UHFFFAOYSA-N;147.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268814;MM268814;C=C(F)CNN(C)C(N)=O;BPVCSKNJBMLWLB-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268815;MM268815;C=C(CC)C(C)CC(=N)N;ZIYRHQNGHUZSKS-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268816;MM268816;C=C(CN)C(C)CC(=N)N;BESXMXOXLQFJLP-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268817;MM268817;C=C(CF)C(C)CC(=N)N;PRGFQZHUDBOAQK-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268818;MM268818;NN=CC(C=C(F)F)CO;JAKIVFOSWJJSDB-UHFFFAOYSA-N;150.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268819;MM268819;C=C(CN)C(C)CC(N)=O;LQYVUAJLGRHNEL-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268820;MM268820;C=C(C)CC(C)C(=O)CF;PTPURNBXSTVEFJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268821;MM268821;CC(CC(=N)N)C(=O)CF;ODUSAGDXAGAGMU-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268822;MM268822;CCN=c1[nH]c(=O)[nH]o1;FNVBWEJAIICDBU-UHFFFAOYSA-N;129.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268823;MM268823;CCCN=c1[nH]c(=O)[nH]o1;NAEVUDYLIOPQOX-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268824;MM268824;C=C(CC)C(N)CC(=N)N;CJMRJOPFOCUHRA-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268825;MM268825;C=C(F)CC(N)C(=C)CN;CKQUEEOKRPQSNL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268826;MM268826;C=C(CC)C(O)CC(C)=O;OSYZFQDYGIREAU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268827;MM268827;C=C(CO)C(O)CC(C)=O;IZUBSGYUCKHOOC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268828;MM268828;Nc1conc1O;DAYPJEWQEJIWDR-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268829;MM268829;CC(CC(N)=O)C(=O)O;APLDKCVZGJSYQQ-UHFFFAOYSA-N;131.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268830;MM268830;N=C(N)CC(O)C(=O)CO;NCVOMILQKPEBSO-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268831;MM268831;CCC(=O)C(O)CC(N)=O;IVTZGKKZKINFOU-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268832;MM268832;C=C(F)CC(O)C(=O)CF;CEBVOUVWRKMIKR-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268833;MM268833;C=C(CO)C(F)CC(=N)N;TVXPKNIHEDWHKO-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268834;MM268834;C=C(C)CC(F)C(=O)CC;SSJHGQZLNDJCPK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268835;MM268835;C=C(C)CC(F)C(=O)CF;AMZRMPUYDCXSCC-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268836;MM268836;CCC(=O)C(F)CC(=N)N;HXURZEQVFOVZHN-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268837;MM268837;CCC(=O)C(F)CC(N)=O;DZMAZJZZELXYCK-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268838;MM268838;CNC(=N)C(N)CC(=N)N;MRBKKPRARBFFKN-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268839;MM268839;C=C(F)CC(N)C(=N)NC;JWJLUGOIVUSWKQ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268840;MM268840;C=C(F)CC(N)C(=N)NO;TXVHBJBUJNFWMR-UHFFFAOYSA-N;147.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268841;MM268841;C=C(C)CC(O)C(=N)NC;AORUNTHPTPDEDQ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268842;MM268842;CN=C(N)C(O)CC(C)=O;UEESXDUCSFXREH-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268843;MM268843;CC(=O)CC(O)C(=N)NO;MJBOBXRQVBAQAL-UHFFFAOYSA-N;146.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268844;MM268844;CNC(=N)C(O)CC(=N)N;LUNDTJYHGNSFHZ-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268845;MM268845;N=C(N)CC(O)C(=N)NN;FKPXAWYACWRYRI-UHFFFAOYSA-N;145.17;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268846;MM268846;N=C(N)CC(O)C(=N)NO;DAANZCVRBWGSFA-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268847;MM268847;N=C(NO)C(O)CC(N)=O;DEOUHHJAFKXIOF-UHFFFAOYSA-N;147.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268848;MM268848;Cn1cc(O)c(F)n1;VLWFJYDTJKXKKI-UHFFFAOYSA-N;116.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268849;MM268849;C=C(F)CC(O)C(=N)NN;QFDAAHNADXCHCX-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268850;MM268850;CNC(=O)C(O)CC(=N)N;CJNCFVBVWZQNKA-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268851;MM268851;N=C(N)CC(O)C(=O)NN;QGIJRVTYVHMJST-UHFFFAOYSA-N;146.15;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268852;MM268852;N=C(N)CC(O)C(=O)NO;OTUQDJHPNISLDI-UHFFFAOYSA-N;147.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268853;MM268853;CNC(=O)C(O)CC(N)=O;CZHQHZPJYOAOPP-UHFFFAOYSA-N;146.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268854;MM268854;NNC(=O)C(O)CC(N)=O;ZKURYSILHTWBBI-UHFFFAOYSA-N;147.13;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268855;MM268855;C=NN=CC(CC)C(=O)O;ICSLAIOSGIFGTC-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268856;MM268856;C=C(F)CC(O)C(=O)NC;OFKDLBRHFPUMII-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268857;MM268857;CNC(=N)C(F)CC(=N)N;ASUIYYIVHBLDNW-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268858;MM268858;C#CCn1cc(O)c(F)n1;BLMOMJZKTGVDQC-UHFFFAOYSA-N;140.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268859;MM268859;On1nnnc2cnnc1-2;QKPPALZWJQWVKL-UHFFFAOYSA-N;138.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268860;MM268860;C=C(C)CC(F)C(=O)NN;QMJLPELAMUAWDK-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268861;MM268861;CNC(=O)C(F)CC(C)=O;UDUQRUBEIABPOB-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268862;MM268862;C=C(F)CC(F)C(=O)NN;DCMSEPXMZRBFNS-UHFFFAOYSA-N;150.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268863;MM268863;COC(=O)C(C)CC(=N)N;NDKXGYXMOFKZQB-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268864;MM268864;COC(=O)C(C)CC(N)=O;WMSVGGWTPOETNS-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268865;MM268865;C=C(C)CC(O)C(=C)OC;QOZMORWJNOYVSW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268866;MM268866;C=C(OC)C(O)CC(=N)N;LKRYYHOXZOQUAS-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268867;MM268867;C=C(OC)C(O)CC(N)=O;PGMRGOLGFUQBBE-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268868;MM268868;ON=c1nc(O)cnn1O;CEJKTUJOEKFMLV-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268869;MM268869;COC(=O)C(O)CC(C)=O;OKXRLRLJFIQMSH-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268870;MM268870;COC(=O)C(O)CC(=N)N;MGEBUKXFLNKZNG-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268871;MM268871;COC(=O)C(O)CC(N)=O;BVXPYPGAMVGUEJ-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268872;MM268872;C=C(OC)C(F)CC(C)=O;PTZIFNQZEZLSKM-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268873;MM268873;CC(=O)ON=CCNC=O;UWBIDTOFLNSFKR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268874;MM268874;C=C(CN)C(C)NC(C)=O;JVNVHSDLWRAGNW-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268875;MM268875;C=C(CC)C(C)NC(=N)N;NWCFCKNTSAJDJU-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268876;MM268876;CC(N)=NC(C)C(=O)CO;BQTCYETYOQWDKJ-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268877;MM268877;CCC(=O)C(C)NC(=N)N;ROEVVKWEHPIZIQ-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268878;MM268878;CCC(=O)C(C)NC(N)=O;ZVTYUYODQDIFKG-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268879;MM268879;C=C(OC)C(C)NC(=N)N;VOHJVEQXKQKJTN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268880;MM268880;C=C(OC)C(C)NC(N)=O;DWMPQTQPKMTACG-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268881;MM268881;C=C(CC)C(C)OC(=N)N;VYWSCGKNPXACJU-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268882;MM268882;C=C(CF)C(C)OC(=N)N;QHGGKWKZFATYBQ-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268883;MM268883;C=C(CC)C(C)OC(N)=O;AJPWBBOXPNWMLJ-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268884;MM268884;C=C(CN)C(C)OC(N)=O;ODTYEISFGBTUPO-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268885;MM268885;CC(=O)OC(C)C(=O)CO;UYEPHXUIWISLGI-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268886;MM268886;CCC(=O)C(C)OC(=N)N;UWIRKNVXKZCSPW-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268887;MM268887;CC(OC(N)=O)C(=O)CO;IBZAPSDYUUBSSO-UHFFFAOYSA-N;147.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268888;MM268888;C=C(C)OC(C)C(=N)NC;XQGWERKYNYUVMM-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268889;MM268889;C=C(C)OC(C)C(=N)NN;UKADTIJVVYQVLZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268890;MM268890;C=C(C)OC(C)C(=N)NO;JSAZTKSCWCWOFU-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268891;MM268891;CNC(=N)C(C)OC(=N)N;MBLXVUSUOBOMIZ-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268892;MM268892;C=C(C)OC(C)C(=O)NC;PAUSHLFUINZSEC-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268893;MM268893;C=C(OC)C(C)OC(=N)N;UWWHIQATMWYBPR-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268894;MM268894;COC(=O)C(C)OC(N)=O;DBWKIAUOVRCINL-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268895;MM268895;CN(CC(=N)N)C(=N)CN;YWHDZCVFQJRRIR-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268896;MM268896;CN(CC(=N)N)C(=N)CO;HKOJLZSJKSLRJJ-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268897;MM268897;CN(CC(=N)N)C(=N)CF;FUNUQFHCSSFMHQ-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268898;MM268898;CN(CC(N)=O)C(=N)CN;DLXHMBRYDBWYHE-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268899;MM268899;CN(CC(N)=O)C(=N)CO;PQOXSGXEJLEJON-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268900;MM268900;C=C(C)CN(C)C(=O)CC;RBANEWFHELUBRN-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268901;MM268901;CN(CC(=N)N)C(=O)CN;AKJCNTWBUQHEBG-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268902;MM268902;CN(CC(=N)N)C(=O)CF;AZHQALPXQPXWFP-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268903;MM268903;CN(CC(N)=O)C(=O)CF;NFELKDJBDPWIKA-UHFFFAOYSA-N;148.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268904;MM268904;C=C(F)CN(C)C(=O)CO;GSYXFPRBUARYNS-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268905;MM268905;CCC(=N)N(N)CC(=N)N;SIZKORYGQRFDSR-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268906;MM268906;N=C(N)CN(N)C(=N)CO;XGHXFJLTXDWUKT-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268907;MM268907;N=C(N)CN(N)C(=N)CF;PQEZBGLYYIMWCK-UHFFFAOYSA-N;147.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268908;MM268908;CCC(=N)N(N)CC(N)=O;GRQDNNUYOYQHHA-UHFFFAOYSA-N;144.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268909;MM268909;C#CCCON=CC(N)=O;ZKFBLQSKKILQAW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268910;MM268910;C=C(F)CN(N)C(=N)CF;AMGMGFNGNLQXMW-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268911;MM268911;NN(CCO)C(=O)CCO;UDRNPKMUHDMKTO-UHFFFAOYSA-N;148.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268912;MM268912;N=C(N)CN(N)C(=O)CF;GCWGBSVUXRAUGM-UHFFFAOYSA-N;148.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268913;MM268913;C=Cn1nnc(CC)c1O;UICKIDWTPMSFAJ-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268914;MM268914;CN(CCO)N(C)C(N)=O;JIBRSRBUPGYJNM-UHFFFAOYSA-N;147.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268915;MM268915;NN=C(C#CC(F)F)NN;OFFXDUSQXYSCKX-UHFFFAOYSA-N;148.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268916;MM268916;N=C(N)CN(O)C(=N)CO;ZNWSCPMBCJNILH-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268917;MM268917;N=C(N)CN(O)C(=N)CF;MIQZLFXHGSUNOM-UHFFFAOYSA-N;148.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268918;MM268918;NN=CC=C(F)CNC=O;VZFVNKZJXUTONY-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268919;MM268919;CC#CC(O)C(CO)=NO;FNQNGGVKBIGGSW-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268920;MM268920;CNC(=N)N(C)CC(=N)N;BOMPNFYWUOHZKY-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268921;MM268921;CN(CC(=N)N)C(=N)NN;KASFVYAMADUFLO-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268922;MM268922;CN(CC(=N)N)C(=N)NO;YLIFYINSBGHURD-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268923;MM268923;CNC(=N)N(C)CC(N)=O;GBMXVJAZJWALMU-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268924;MM268924;CN(CC(N)=O)C(=N)NN;AGGXMSJWSANZOB-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268925;MM268925;CN(CC(N)=O)C(=N)NO;BSWCIBUQXPYOKW-UHFFFAOYSA-N;146.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268926;MM268926;C=C(F)CN(C)C(=N)NN;QAEDFJUWGQOHGW-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268927;MM268927;C=C(C)CN(C)C(=O)NC;NFESORMTSMLLPS-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268928;MM268928;CNC(=O)N(C)CC(=N)N;LHZWCTWATXNSAB-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268929;MM268929;CN(CC(=N)N)C(=O)NN;UMCLNXQTYXSHGR-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268930;MM268930;CN(CC(=N)N)C(=O)NO;SFFQQHQAVNGCLU-UHFFFAOYSA-N;146.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268931;MM268931;CNC(=O)N(C)CC(N)=O;NPIGYQCLLHNGHJ-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268932;MM268932;C=CC=NOCC(=O)NC;WTUUKPQQWGSBPQ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268933;MM268933;C#CCC(=O)N=CN1CC1;FPVVEKGTXJNTIB-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268934;MM268934;CNC(=N)N(N)CC(=N)N;QMWIARTULUKBEH-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268935;MM268935;N=C(N)CN(N)C(=N)NN;SHFHHLKAXTXRBD-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268936;MM268936;N=C(N)CN(N)C(=N)NO;CJOMQZZXFJOKON-UHFFFAOYSA-N;146.15;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268937;MM268937;CNC(=N)N(N)CC(N)=O;LQAHBIPVFPKDIC-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268938;MM268938;N=C(NN)N(N)CC(N)=O;GFHYQNXYMMVPLZ-UHFFFAOYSA-N;146.15;-2.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268939;MM268939;N=C(NO)N(N)CC(N)=O;BFFJMEPRZRHNFB-UHFFFAOYSA-N;147.14;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268940;MM268940;C=C(F)CN(N)C(=N)NC;BMFPHARZQDQYME-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268941;MM268941;C=C(F)CN(N)C(=N)NN;QMSROCVSEGEFAM-UHFFFAOYSA-N;147.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268942;MM268942;C=C(F)CN(N)C(=N)NO;LPMXEUSZRCOYAG-UHFFFAOYSA-N;148.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268943;MM268943;CNC(=O)N(N)CC(=N)N;FOEXQMQLDJVQFB-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268944;MM268944;N=C(N)CN(N)C(=O)NN;LGFQRFLLTUGIRJ-UHFFFAOYSA-N;146.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268945;MM268945;N=C(N)CN(N)C(=O)NO;LYGNEIAOHRWQMU-UHFFFAOYSA-N;147.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268946;MM268946;CCN1N=CC(CO)C1C;BAQVZCXTVHNEIX-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268947;MM268947;C#CC=NOCC1CC1O;RGFNSWDFKWSZST-UHFFFAOYSA-N;139.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268948;MM268948;Cc1[nH]nnc1O;DRUROWJFUBRKLH-UHFFFAOYSA-N;99.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268949;MM268949;C#CCC(=O)C1NC1C#C;DMIRRRKMLSBXTC-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268950;MM268950;C#CCC(=O)C(C)N1CC1;IWUPCCJNDSFXMD-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268951;MM268951;C=C(F)CN(N)C(=O)NO;CWHQYTFOCZFKSD-UHFFFAOYSA-N;149.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268952;MM268952;CNC(=N)N(O)CC(=N)N;KYQGIIVHPAKQML-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268953;MM268953;N=C(N)CN(O)C(=N)NN;ZPYHCGUZBUEHBK-UHFFFAOYSA-N;146.15;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268954;MM268954;N=C(N)CN(O)C(=N)NO;HUFLAAADIDVVJJ-UHFFFAOYSA-N;147.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268955;MM268955;N=C(NN)N(O)CC(N)=O;UGNBTDUAONPEPI-UHFFFAOYSA-N;147.14;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268956;MM268956;CNC(=O)N(O)CC(C)=O;ZBGWXPHBWWVSSX-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268957;MM268957;C=C(F)CN(O)C(=O)NN;RKUFCZHEIOKREF-UHFFFAOYSA-N;149.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268958;MM268958;COC(=N)N(C)CC(=N)N;OBVNVBKWRZRKSH-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268959;MM268959;COC(=O)N(C)CC(N)=O;GKZZEGKEOMVHRR-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268960;MM268960;COC(=N)N(N)CC(=N)N;IKBAMNDBUUPPPU-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268961;MM268961;N=CN1C=CC(CO)C=N1;GKKJCXCTZULJCN-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268962;MM268962;COC(=O)N(N)CC(=N)N;OLRGFIPXUAEBIY-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268963;MM268963;O=CN1C=CC(CO)C=N1;NMIHPFMBQFIGRM-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268964;MM268964;O=c1onc2cc[nH]nc1-2;ZHCJTPLAWXXDGZ-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268965;MM268965;COC(=N)N(O)CC(=N)N;CVNYSTCDCJNVOB-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268966;MM268966;OCC1C=NNC1;PSWQSPQGYYPODM-UHFFFAOYSA-N;100.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268967;MM268967;Nn1c(O)c(F)n(O)c1=O;AMUAFLVLEGBAPE-UHFFFAOYSA-N;149.08;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268968;MM268968;CC(=O)ON=CNO;DHENMYLNDNDKML-UHFFFAOYSA-N;118.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268969;MM268969;CC(=N)NN(C)C(=N)CO;LUQABENNGBPFGO-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268970;MM268970;CC(=N)NN(C)C(=N)CF;HQCCTOREOODLDE-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268971;MM268971;CCC(=N)N(C)NC(=N)N;KRTWCAIFXHVMPA-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268972;MM268972;CN(NC(=N)N)C(=N)CN;UTEWSFPCLLBURD-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268973;MM268973;CN(NC(=N)N)C(=N)CF;FBIXEMFWDJIFRG-UHFFFAOYSA-N;147.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268974;MM268974;CN(NC(N)=O)C(=N)CN;MTWCUOPJSDGQIK-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268975;MM268975;CN1CC(CO)C=N1;YZLSXITVLZHOTA-UHFFFAOYSA-N;114.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268976;MM268976;CCn1cnc(N)n1;IBUMUBQOWFBTFU-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268977;MM268977;CN(NC(=N)N)C(=O)CN;GQPMRQUSQHJVHM-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268978;MM268978;CN(NC(=N)N)C(=O)CF;SIWLSQBTONTAFD-UHFFFAOYSA-N;148.14;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268979;MM268979;CCC(=O)N(C)NC(N)=O;PTAHMMHPLLLHQQ-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268980;MM268980;CN(NC(N)=O)C(=O)CO;PCOKYQHZMOCYOY-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268981;MM268981;CN(NC(N)=O)C(=O)CF;UMNKQWFHZQBKAC-UHFFFAOYSA-N;149.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268982;MM268982;CNC(=N)N(C)NC(C)=N;AMMTUFZSHVCKDG-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268983;MM268983;CC(=N)NN(C)C(=N)NN;VWAWGRARXXWUSW-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268984;MM268984;CC(=N)NN(C)C(=N)NO;GXTQEZBEVQBRGJ-UHFFFAOYSA-N;145.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268985;MM268985;CNC(=N)N(C)NC(C)=O;SQPPRYUSFFMPKX-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268986;MM268986;CC(=O)NN(C)C(=N)NN;SHAADMHTANFOTO-UHFFFAOYSA-N;145.17;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268987;MM268987;CC(=O)NN(C)C(=N)NO;GQYFCXMJXLBXMF-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268988;MM268988;CNC(=N)N(C)NC(=N)N;AURJNMJHDXJSMF-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268989;MM268989;CN(NC(=N)N)C(=N)NN;DZQMHJOYOWAZOI-UHFFFAOYSA-N;145.17;-2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268990;MM268990;CNC(=N)N(C)NC(N)=O;FIUIQTWYDCJAGS-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268991;MM268991;CNC(=O)N(C)NC(C)=N;HYTRUXTXJWGOHA-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268992;MM268992;CC(=N)NN(C)C(=O)NN;YJTPDFHNUOCELG-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268993;MM268993;CC(=N)NN(C)C(=O)NO;QFMITMJWMNDNKD-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268994;MM268994;CNC(=O)N(C)NC(C)=O;UDUDHLBQAHSQFO-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268995;MM268995;CC(=O)NN(C)C(=O)NN;NFSIPACELYPOOA-UHFFFAOYSA-N;146.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268996;MM268996;CC(=O)NN(C)C(=O)NO;CCOKKZAHUBPESM-UHFFFAOYSA-N;147.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268997;MM268997;CN(NC(N)=O)C(=O)NN;LMQMDZXUDJFUMI-UHFFFAOYSA-N;147.14;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268998;MM268998;CN(NC(N)=O)C(=O)NO;VCNBRLPSYZIFFU-UHFFFAOYSA-N;148.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM268999;MM268999;COC(=N)N(C)NC(C)=N;BRNGZBUSAZZYSW-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269000;MM269000;COC(=O)N(C)NC(=N)N;UWZDEUNZOAACPD-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269001;MM269001;COC(=O)N(C)NC(N)=O;FMSYEIQRDZMEQF-UHFFFAOYSA-N;147.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269002;MM269002;CCC(=N)N(C)OC(=N)N;AISPYDJPKZIEKG-UHFFFAOYSA-N;144.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269003;MM269003;CCC(=O)N(C)OC(N)=O;PVUZTSFKTVEAKF-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269004;MM269004;CNC(=N)N(C)OC(N)=O;PIHZOILWACHNPC-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269005;MM269005;CC(=O)ON(C)C(=O)NN;PYLZBYZZHJAGIY-UHFFFAOYSA-N;147.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269006;MM269006;COC(=N)N(C)OC(C)=O;LBFPFJQPKVTWDG-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269007;MM269007;C=CC(=C)C(C)CC(C)=O;UABCOIWMLCDIEK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269008;MM269008;C=CC(=C)C(C)CC(=N)N;VPGWBWYUNLOSER-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269009;MM269009;C=C(C=O)C(C)CC(=N)N;IIEFGJMFXRQHEN-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269010;MM269010;CCc1cc(C)[nH]n1;ZXYASTYREUECCW-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269011;MM269011;C=C(C#N)C(C)CC(=O)O;SKADAPVPMKXUAK-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269012;MM269012;C=CC(=C)C(C)CC(=C)F;GFGWVSSQQILVKU-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269013;MM269013;CC(=O)CC(C)C(=O)C=O;YRKWFENIEZTXRW-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269014;MM269014;C=CC(=O)C(C)CC(=N)N;NSPBZZIGNJGMRR-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269015;MM269015;CON=C(C)C(C)C(=O)O;VAIGNQALKAEYSB-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269016;MM269016;C=C(F)CC(C)C(=O)C#N;ZABHJCFYUCBXPS-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269017;MM269017;C=C(C=O)C(O)CC(C)=O;GRWNTOHJCOPIRJ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269018;MM269018;C=CC(=C)C(O)CC(N)=O;IWMKXXHGXQFILW-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269019;MM269019;C=C(F)CC(O)C(=C)C=O;DHKLZLGGMMBWNB-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269020;MM269020;CC(=O)CC(O)C(=O)C=O;SZGXVHBIPLZDTM-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269021;MM269021;N#CC(=O)C(O)CC(=N)N;GXZKLIANPWOOTI-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269022;MM269022;N#CC(=O)C(O)CC(N)=O;ODZUGWCIVCWDNW-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269023;MM269023;C=C(C#N)C(F)CC(C)=O;UAVBBUQJQWZRSH-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269024;MM269024;C=C(C#N)C(F)CC(=N)N;MPRPASIGEDUYOG-UHFFFAOYSA-N;141.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269025;MM269025;C=C(C=O)C(F)CC(N)=O;FEJIMYKFOIEEGE-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269026;MM269026;C=C(C#N)C(F)CC(N)=O;IMFZQXUQMCYKHY-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269027;MM269027;C=CC(=O)C(F)CC(=C)C;MPHOBLNIIUNCFJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269028;MM269028;C=CC(=O)C(F)CC(=N)N;XOLRAQDJYDQTFJ-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269029;MM269029;N=C(N)CC(F)C(=O)C=O;KVYXXNVQXPZJFW-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269030;MM269030;C=CC(=O)C(F)CC(N)=O;OGNRGCNRDBPKSG-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269031;MM269031;NC(=O)CC(F)C(=O)C=O;VJPTYUYYFXWTCJ-UHFFFAOYSA-N;147.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269032;MM269032;CN=Nc1ccc[nH]1;SWTPMDAURCRUMQ-UHFFFAOYSA-N;109.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269033;MM269033;C=C(C#N)C(C)NC(C)=O;ILZCKYDUOKPFAV-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269034;MM269034;C=C(C#N)C(C)NC(=N)N;HOXNNNSLRNNDON-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269035;MM269035;C=C(C#N)C(C)NC(N)=O;MVNAJIYALRGNHC-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269036;MM269036;CC(N)=NC(C)C(=O)C=O;SOTZDGIDUKXMTI-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269037;MM269037;CC(=O)NC(C)C(=O)C=O;BEPNTXOQMLKOMI-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269038;MM269038;CC(=O)NC(C)C(=O)C#N;SPQKGDXYIRGQCR-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269039;MM269039;C=CC(=C)C(C)OC(=C)C;BIBZEXOFUIVOOP-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269040;MM269040;C=CC(=C)C(C)OC(C)=O;UUSWZBMHYOWLSI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269041;MM269041;C=CC(=C)C(C)OC(N)=O;TWILVCZLRCQUCU-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269042;MM269042;C=C(C#N)C(C)OC(N)=O;SQCHYKCISVHDHV-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269043;MM269043;C=C(C)OC(C)C(=O)C#N;DRRAEIFEKRWXBG-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269044;MM269044;CC(OC(=N)N)C(=O)C=O;ONRLNOJRAGDJEP-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269045;MM269045;CC(OC(N)=O)C(=O)C#N;VQDWFBJCJWTZJD-UHFFFAOYSA-N;142.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269046;MM269046;C=NNCCOC(N)=O;AWRJIHZCEGXCEO-UHFFFAOYSA-N;131.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269047;MM269047;C=CC(=N)N(C)CC(=N)N;BJSJQSQJYCFSSD-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269048;MM269048;CN(CC(=N)N)C(=N)C#N;OQWRRFLJUIXBHU-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269049;MM269049;CCC(=O)ON=CNO;AXCZITUQGODOJN-UHFFFAOYSA-N;132.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269050;MM269050;COC(=O)ON=CNO;RWNFDHUXCQHGHL-UHFFFAOYSA-N;134.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269051;MM269051;NNc1n[nH]c(O)c1O;QPLPVKZFMIXMBN-UHFFFAOYSA-N;130.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269052;MM269052;Cc1n[nH]c(=N)oc1=O;PAQRQDODSIOGPO-UHFFFAOYSA-N;127.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269053;MM269053;CC(=NN)ON=CNO;BFIPEWZATRCOJM-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269054;MM269054;CN(CC(=N)N)C(=O)C=O;JKQKFQREJXSZNV-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269055;MM269055;CN(CC(=N)N)C(=O)C#N;FBBNWPRQVJDWLI-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269056;MM269056;CN(CC(N)=O)C(=O)C#N;ACJLTCCIJSIWHD-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269057;MM269057;CON=C(N)C(C)C(=O)O;ZTUOMBJAUXZXNQ-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269058;MM269058;CC(=O)C1CC(C(=O)O)C1;WKHMFULPTGOAHE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269059;MM269059;C=CC(=N)N(N)CC(=N)N;KQNYOSGBGZWGDV-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269060;MM269060;C=CC(=N)N(N)CC(N)=O;QNIMRIGJUPVPAE-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269061;MM269061;CCCn1cnc(N)n1;RWJOWQPWDQMLRB-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269062;MM269062;C#CCn1cnc(N)n1;XSDUMUPTMSSMBN-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269063;MM269063;N=C(N)CN(O)C(=N)C=O;PAMXUOJNGXYTFR-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269064;MM269064;Nc1cc(CC=O)c[nH]1;CVCSKUPGHMJYCK-UHFFFAOYSA-N;124.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269065;MM269065;N#CC(=N)N(O)CC(N)=O;WDCYCNFEAORKEN-UHFFFAOYSA-N;142.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269066;MM269066;O=CCC1CC(C(=O)O)C1;AEOZXFIEONODQE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269067;MM269067;O=c1nc(O)[nH]o1;XDENVSFWQSKKLZ-UHFFFAOYSA-N;102.05;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269068;MM269068;O=c1cc2c(c(O)o1)OC2;RCWOZKNYFPEUAY-UHFFFAOYSA-N;140.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269069;MM269069;C=NNCC(CO)CF;OJARTFYCLDEQJO-UHFFFAOYSA-N;134.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269070;MM269070;C=CC(=N)N(C)NC(N)=O;QHGFLVPWPNNYES-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269071;MM269071;C=CC(C=NNC)CO;WHXUWNPGRAPTFK-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269072;MM269072;CN(NC(N)=O)C(=N)C#N;CZEANNMRCGZMJN-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269073;MM269073;CCN1CC(CO)C=N1;DXGFRYBNZIDUBZ-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269074;MM269074;N=CN1CC(CO)C=N1;JJTOGFHOISWILJ-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269075;MM269075;C=CC(=O)N(C)NC(=N)N;MPRGXMHWLBQHJX-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269076;MM269076;CN(NC(=N)N)C(=O)C#N;FFAVOZDAQVBVTN-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269077;MM269077;C=CC(=O)N(C)NC(N)=O;IMJLETPSOABSNQ-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269078;MM269078;CN(NC(N)=O)C(=O)C=O;VJRVPSUMJJNPAS-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269079;MM269079;CC(=O)ON(C)C(=N)C=O;RBIUEGNPBFDVCA-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269080;MM269080;C=CC(=N)N(C)OC(=N)N;GFOSCQKRJWPPBB-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269081;MM269081;O=CN1CC(CO)C=N1;ILWYBJASOHDXRZ-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269082;MM269082;C=CC(=O)N(C)OC(C)=O;LEBJAUWRLWZOHP-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269083;MM269083;CN(OC(N)=O)C(=O)C=O;LPBCPYVORQIWHQ-UHFFFAOYSA-N;146.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269084;MM269084;C#CC(=C)C(C)CC(C)=O;ZKJHMTAVIURJEQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269085;MM269085;C=NN1CC1C(=O)CF;GXSWSBIJWBBJJR-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269086;MM269086;C#CC(=O)C(C)CC(=C)C;VPRSAHXCOFECFJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269087;MM269087;C#CC(=O)C(C)CC(=N)N;BSLCSDBOHCBYGN-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269088;MM269088;C#CC(=C)C(O)CC(=C)F;WVIBYHSKPHYJPG-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269089;MM269089;C#CC(=O)C(O)CC(=N)N;ZNRQBWMTZVOWPZ-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269090;MM269090;C#CC(=O)C(O)CC(N)=O;BWBAMOKFKQOUDP-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269091;MM269091;C#CC(=O)C(O)CC(=C)F;YOUNBDHCIYONEY-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269092;MM269092;C#CC(=O)C(F)CC(=N)N;DQWMKPTVROLFRC-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269093;MM269093;C#CC(=C)C(C)NC(C)=N;VHSIXMNEPCPPTG-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269094;MM269094;C#CC(=C)C(C)NC(C)=O;MWXYXDZXVAQLIK-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269095;MM269095;C#CC(=C)C(C)NC(=N)N;FLIARKVOKBHJSO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269096;MM269096;C#CC(=C)C(C)NC(N)=O;ODSHGGOVRXIOKZ-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269097;MM269097;C#CC(=O)C(C)NC(C)=O;NEOGDMGAFATBDW-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269098;MM269098;C#CC(=C)C(C)OC(N)=O;XZRFLPFPVIHKMK-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269099;MM269099;C#CC(=N)N(C)CC(=N)N;MAPZYZULBOCIJJ-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269100;MM269100;C#CC(=N)N(C)CC(N)=O;NKEBYNTZYDHLHU-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269101;MM269101;C#CC(=O)N(C)CC(=N)N;DBGPZZOFFQURTM-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269102;MM269102;C#CC(=O)N(C)CC(N)=O;RPDAPEHPCYOUAP-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269103;MM269103;C#CC(=N)N(N)CC(=N)N;ZVNLSARZWZFAQS-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269104;MM269104;C#CC(=O)N(N)CC(=N)N;FVLWRNACYHGCLZ-UHFFFAOYSA-N;140.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269105;MM269105;CC(C)(C)NC(=O)C=NN;NQZQFJZCXTWZDB-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269106;MM269106;C=CC(=CC(=O)O)OC;YAFAMKLTNFNZEG-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269107;MM269107;C#CC(=N)N(O)CC(=N)N;FKCIPGZDBHCSDJ-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269108;MM269108;C=NOCC(=C)CC(C)=O;XEMWANWPXMRTRB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269109;MM269109;CCC(C)=COCC(=O)O;ZIDFLRJZQIOPFX-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269110;MM269110;C#CC(=N)N(C)NC(C)=N;VDJKMNHUGWYBOF-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269111;MM269111;C#CC(=O)N(C)NC(=N)N;VTGQRXWGTNNVGW-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269112;MM269112;C#CC(=O)N(C)NC(N)=O;HGLBYBLJEHAGCW-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269113;MM269113;C=C(CC(C)C)C(C)CC;CYWPRJICNIVUBU-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269114;MM269114;C=C(CC(C)N)C(C)CN;BKYCHAYBMJYGIX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269115;MM269115;C=C(CC(C)O)C(C)CN;DURSSGCDEXRHHD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269116;MM269116;CNC(=O)C(N)=CC(N)=O;AJYWRLFVTLEKNX-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269117;MM269117;CNCC(=O)ON=CNO;YSMBPCMGZDYGMN-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269118;MM269118;C=C(CC(C)F)C(C)CN;ANBBNWJWJRKZSJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269119;MM269119;C=C(CC(F)F)C(C)CN;WONDTWSPAKXQQG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269120;MM269120;C=C(CC(F)F)C(C)CF;FEJXZWIDQJVYAS-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269121;MM269121;C=C(CC(C)C)C(N)CN;VZIKURNSQPNURC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269122;MM269122;C=C(CC(C)N)C(N)CC;VHFJLBBHPMUQEX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269123;MM269123;C=C(CC(C)N)C(N)CN;XCGUXTKEWRKZEV-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269124;MM269124;C=C(CC(C)N)C(N)CF;FHHJHLMHXBGINL-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269125;MM269125;C=C(CC(C)O)C(N)CC;NWHCRGROGJIXFH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269126;MM269126;C=C(CC(C)O)C(N)CN;FLNGUJFWYVMBGI-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269127;MM269127;C=C(CC(C)F)C(N)CC;YFWCYNJLZRHMGC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269128;MM269128;C=C(CC(C)F)C(N)CN;ZBRBGDGPPNRBHI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269129;MM269129;C=C(CC(C)F)C(N)CF;PXAJVSXAYSISTO-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269130;MM269130;C=C(CC(F)F)C(N)CC;QIIMWHDYASTMNT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269131;MM269131;C=C(CC(F)F)C(N)CN;RTWGUUJMCSNPPX-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269132;MM269132;C=C(CC(F)F)C(N)CF;PHNQGJYEGGFHCV-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269133;MM269133;C=C(CC(C)C)C(O)CN;URPKGAHNMLOFEQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269134;MM269134;C=C(CC(C)C)C(O)CF;WLJACPOLZANTIN-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269135;MM269135;C=C(CC(C)N)C(O)CC;CHLGIVGNFURQDY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269136;MM269136;C=C(CC(C)N)C(O)CF;CZKMEOAHURASSA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269137;MM269137;C=C(CC(F)F)C(O)CN;OEJHWHIKHDASBV-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269138;MM269138;C=C(CC(C)N)C(F)CC;RFWCGLUCMAEGLF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269139;MM269139;C=C(CC(C)N)C(F)CN;SYANSKLFOIGPNC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269140;MM269140;C=C(CC(C)N)C(F)CF;YMNSMJZUCHGMRF-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269141;MM269141;C=C(CC(C)O)C(F)CF;GEVLPKBZMOBFBR-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269142;MM269142;C=C(CC(C)F)C(F)CN;AHCIXZIGRIOMBJ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269143;MM269143;C=C(CC(F)F)C(F)CC;GRQIHSAORDHKGK-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269144;MM269144;CC(F)CC(=O)C(C)CF;OEZRBAJUODPLBT-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269145;MM269145;CC(CF)C(=O)CC(F)F;OPINUVCUZNIIRM-UHFFFAOYSA-N;154.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269146;MM269146;O=C(CC(F)F)C(O)CF;RRBHGOUMPCCIOC-UHFFFAOYSA-N;156.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269147;MM269147;CCC(F)C(=O)CC(C)O;FFMHAFGCTJSDKX-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269148;MM269148;C=C(CC(C)C)C(C)NC;SCUFQXFBTBZFJB-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269149;MM269149;C=C(CC(C)F)C(C)NC;RONIGWQUEZVJQL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269150;MM269150;C=C(CC(F)F)C(C)NC;BGUVFIRWWCERER-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269151;MM269151;CNC(C)C(=O)CC(C)C;BFJBQVJTTWWXBF-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269152;MM269152;CNC(C)C(=O)CC(C)F;IVYKXAVLGMHKDZ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269153;MM269153;CNC(C)C(=O)CC(F)F;RMHFTTFTAJKFQW-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269154;MM269154;CCC(C)C(=N)NC(C)C;UKWMBGIABWHTHI-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269155;MM269155;CC=CC(=O)ON=CNO;HPMQYZXUZMBYIT-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269156;MM269156;CC(C)NC(=O)C(C)CN;IXRLVYNAECBNEB-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269157;MM269157;CC(C)NC(=O)C(C)CF;UIKOQLWEPKSJJR-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269158;MM269158;CC(C)NC(=O)C(O)CF;ZLBODMFZLAQSSN-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269159;MM269159;C=C(OC(C)C)C(N)CN;RQFUMAPPNDZKIC-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269160;MM269160;C=C(OC(C)C)C(O)CO;XULIZWHUHRXGRJ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269161;MM269161;CC(C)OC(=O)C(C)CO;PRIPDXLSSWEHII-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269162;MM269162;CCC(O)C(=O)OC(C)C;UYFVTZQNQVINFT-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269163;MM269163;C=C(CN(C)C)C(C)CO;DHINPKPVVLHZQO-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269164;MM269164;C=C(CN(C)C)C(N)CN;FEEUYFNJFQJGJE-UHFFFAOYSA-N;143.23;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269165;MM269165;C=C(CN(C)C)C(C)NC;FXELTCDWPLHBBC-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269166;MM269166;C=CN(C=N)C(=O)C(C)F;NBCWJTKPVSHHKZ-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269167;MM269167;CN(C)NC(=N)C(F)CF;PWAOJJXKXFKNCM-UHFFFAOYSA-N;151.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269168;MM269168;C=CC(CO)C(=C)C(N)=O;LQHKLLYCMMIGRL-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269169;MM269169;CC(CN)C(=O)NN(C)C;CPUYPKWISYYVNH-UHFFFAOYSA-N;145.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269170;MM269170;CC(CO)C(=O)NN(C)C;JXTPAMCNIWZBHF-UHFFFAOYSA-N;146.19;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269171;MM269171;CC(CF)C(=O)NN(C)C;MRSTVZOBZRFBHM-UHFFFAOYSA-N;148.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269172;MM269172;CN(C)NC(=O)C(F)CO;FQVXWTGXLZJZLH-UHFFFAOYSA-N;150.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269173;MM269173;CNC(C)C(=O)NN(C)C;HIMQKOQUUZAOHV-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269174;MM269174;COC(C)C(=O)NN(C)C;JWUBRGYJUACCOX-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269175;MM269175;CCN(N)C(=N)CC(F)F;HTZQUZWVFQKGHC-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269176;MM269176;CNN(C)C(=N)CC(C)F;VCZIYIFVBDWLFU-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269177;MM269177;CNN(C)C(=O)CC(C)C;LJJGMVSSXYZQMD-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269178;MM269178;CON(C)C(=N)CC(C)F;FQOMCDZEWLPYGV-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269179;MM269179;CON(C)C(=O)CC(C)F;ZYRKGSKFBLSVOA-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269180;MM269180;CCN(C)C(=N)NC(C)C;DDDSFMDAANQEAZ-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269181;MM269181;CCN(C)C(=N)OC(C)C;YWMIFCCJFOUXOI-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269182;MM269182;CCN(C)C(=O)OC(C)C;JUGGLQYQELSDHP-UHFFFAOYSA-N;145.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269183;MM269183;CON(C)C(=N)NN(C)C;XGKCSJQIVWCKPS-UHFFFAOYSA-N;146.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269184;MM269184;C=C(CC(C)C)C(C)C=O;SWTRHERFKWBLQC-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269185;MM269185;CN(NCC=CF)C(N)=O;NQYGBRRYWYWXEL-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269186;MM269186;CN(C)C(=O)ON=CNO;JRNDDTPCJUPBHP-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269187;MM269187;C=CC(C)C(=C)CC(C)F;IOPFTDWVXLKRRO-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269188;MM269188;C=C(CC(C)F)C(C)C=O;FBCHXYKCYQIAGJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269189;MM269189;C=C(CC(F)F)C(C)C=O;UBWFDKBOHGWDGV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269190;MM269190;C=CC(N)C(=C)CC(C)C;BAKXOSKUAUNTAO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269191;MM269191;C=CC(N)C(=C)CC(C)O;MIUZYCKAPVPYLM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269192;MM269192;C=C(C)C(=O)ON=CNO;KWKZKRUUTNHBAB-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269193;MM269193;C=CC(C)C(=O)CC(C)C;VKQJRAKBRGBULB-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269194;MM269194;C=CC(C)C(=O)CC(C)O;XFTXFSDVJIRPFN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269195;MM269195;C=CC(C)C(=O)CC(C)F;JXOXXMKNCDPMLJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269196;MM269196;C=CC(C)C(=O)CC(F)F;DONXWKWHOZENGT-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269197;MM269197;C=CC(C)C(=N)NC(C)C;HUVIFZPVHJSDLA-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269198;MM269198;CC(C)N=C(N)C(C)C=O;VVJRJSAFFZUOEL-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269199;MM269199;C=CC(O)C(=O)NC(C)C;NMXBHFSRCAEIQJ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269200;MM269200;CC(C)OC(=O)C(C)C=O;QMTJYJTXTWPWBA-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269201;MM269201;C=CC(O)C(=O)OC(C)C;JLGFWHVKLZOSBM-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269202;MM269202;C=CC(F)C(=O)OC(C)C;YPAXZOSFCQQCLX-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269203;MM269203;CCCC=COCC(=O)O;ZGNIYZJMAMQBLQ-UHFFFAOYSA-N;144.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269204;MM269204;C#CCc1cc(F)c(N)[nH]1;CGGZPIXQBDPPIJ-UHFFFAOYSA-N;138.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269205;MM269205;N=CN(C=N)N=CC(N)=O;ZTDRBRKDQVJVOU-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269206;MM269206;CN(C)NC(=O)C(O)C=O;FMYDZACNANAMHR-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269207;MM269207;CN(C)NC(=O)C(O)C#N;ZKXGHSLYONAUMU-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269208;MM269208;C=C(CC(C)C)N(C)C=N;ULZGWKBJKMPXAV-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269209;MM269209;C=C(CC(C)N)N(C)C=N;NGGBSNDDUVYWIG-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269210;MM269210;C=C(CC(C)F)N(C)C=N;VBWIBSOMTKXFFM-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269211;MM269211;C=C(CC(C)C)N(N)C=N;GXPZYYQFWHXRJA-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269212;MM269212;C=C(CC(C)C)N(N)C=O;QLINTFYWIXLTMJ-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269213;MM269213;C=C(CC(C)C)N(O)C=N;JKNLTHBZOFHKSZ-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269214;MM269214;C=C(CC(C)C)N(O)C=O;SIFASVAQEUJMSH-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269215;MM269215;C=C(CC(C)F)N(O)C=N;DNRZOLXNQLHTJI-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269216;MM269216;CC(C)CC(=N)N(C)C=O;WKXFTDKTKINUHS-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269217;MM269217;C=CN(C)C(=N)CC(C)N;SOXXSNBAUPDDDC-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269218;MM269218;CC(O)CC(=N)N(C)C=N;ATNJXGBPYFRWTK-UHFFFAOYSA-N;143.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269219;MM269219;CC(F)CC(=N)N(C)C=O;WISMQDXUELVAHK-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269220;MM269220;CC(O)CC(=N)N(N)C=N;QZLQXCAJDZJICF-UHFFFAOYSA-N;144.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269221;MM269221;C=CN(O)C(=N)CC(C)O;FOTNGXPCSSGJQW-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269222;MM269222;C=CN(C)C(=O)CC(C)C;LYTAYGMXAPNPFS-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269223;MM269223;CC(CO)C(=N)N(C)C=O;IKDZSNIHSGRVGE-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269224;MM269224;CC(CO)C(=N)N(N)C=O;ASSRMCWZVJWWKR-UHFFFAOYSA-N;145.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269225;MM269225;C=NN(C)C(=N)CC(C)F;RWPOMESXKCKOPW-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269226;MM269226;C=CN(C)C(=N)NC(C)C;XOMPQIBCISZHMK-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269227;MM269227;CC(C)NC(=O)N(C)C=O;KKHPFEUYTIOKNP-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269228;MM269228;C=NN(C)C(=N)NC(C)C;ZLDWZNNENLXEMF-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269229;MM269229;C=C(OC(C)C)N(C)C=O;IJIZWICPVHVHFF-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269230;MM269230;CON=CC(CO)CC#N;QGFFVOYGHOPSQH-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269231;MM269231;C=CN(C)C(=O)OC(C)C;PAAXKMCMOJBLJH-UHFFFAOYSA-N;143.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269232;MM269232;CC(C)OC(=O)N(N)C=O;UVOZSPPNCMVIKI-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269233;MM269233;C=C(CN(C)C)N(O)C=N;PRRSOTCELUYAFO-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269234;MM269234;CN(C)CC(=N)N(C)C=N;PJZSWJCZWYQTEF-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269235;MM269235;CN(C)CC(=N)N(N)C=O;SAFLZYQGDKSFRQ-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269236;MM269236;CN(C)NC(=N)N(C)C=N;WTCHCLXGVCALEK-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269237;MM269237;CN(C)NC(=N)N(C)C=O;MDPWXMJPHFDODP-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269238;MM269238;CN(C)NC(=N)N(N)C=N;LKIMOTLGJDPMTE-UHFFFAOYSA-N;144.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269239;MM269239;CN(C)NC(=N)N(N)C=O;ZYSXSFGKYZKIHX-UHFFFAOYSA-N;145.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269240;MM269240;C=CN(O)C(=N)NN(C)C;VOKPZEIELZBFKI-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269241;MM269241;CN(C)NC(=N)N(O)C=N;WNDNRLPCMIAVMG-UHFFFAOYSA-N;145.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269242;MM269242;CC=CC(C=NNC)CO;GNPUCKNFHDCKHO-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269243;MM269243;CN(C)NC(=O)N(C)C=O;ZOBMSTKSYBMERB-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269244;MM269244;C#CC=CC(C=NN)CO;ALULBSFHFDOOHI-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269245;MM269245;C=CN(O)C(=O)NN(C)C;QOGCRZYUROFSON-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269246;MM269246;CN(C)NC(=O)N(O)C=N;KIWCDJKYGLBGAE-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269247;MM269247;C=NN(C)C(=O)NN(C)C;FKNIFMDGMRIFSO-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269248;MM269248;C#CC(C)C(=C)CC(C)N;BFRCDFDWFGTSQG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269249;MM269249;C#CC(C)C(=C)CC(C)F;VDHOYEJNLFVLDF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269250;MM269250;C#CC(C)C(=C)CC(F)F;YDWSNDQKHOMGNH-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269251;MM269251;C#CC(N)C(=C)CC(C)C;IMSOFPMIVBNVND-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269252;MM269252;C#CC(N)C(=C)CC(C)F;CCWFBXOLUYXUHP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269253;MM269253;C#CC(N)C(=C)CC(F)F;UFIBJNDFLUEOJO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269254;MM269254;C#CC(O)C(=C)CC(C)C;TWSMTQCUXNGREE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269255;MM269255;C#CC(C)C(=O)CC(C)C;QNEZWIUCSLBTSV-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269256;MM269256;C#CC(C)C(=O)NC(C)C;BIAHOGZLHYEYEB-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269257;MM269257;C#CC(O)C(=O)NC(C)C;HRNZPAATNMLWHP-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269258;MM269258;C#CC(N)C(=C)CN(C)C;ACZTVDNRQUAHLG-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269259;MM269259;COC=CN(C=N)C(N)=O;TYOVJUFGQKRQFI-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269260;MM269260;C#CC(C)C(=O)NN(C)C;RHJBLVSVVVHTKL-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269261;MM269261;C#CC(O)C(=O)NN(C)C;HEWZZABIUAFTSB-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269262;MM269262;C#CC(F)C(=O)NN(C)C;PJANXUMYTAOLLH-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269263;MM269263;C=C(CC(=N)N)C(C)CC;MWWREPDMSOUMOS-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269264;MM269264;C=C(CC(=N)N)C(C)CN;TVKFCGSLBSKFFV-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269265;MM269265;C=C(CC(=N)N)C(C)CO;FCQCVKGEYAHXNT-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269266;MM269266;COC(C=O)ON=CNO;OPWZHBDJMGPIHX-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269267;MM269267;C=C(CC(=O)O)C(C)CF;IKHPFQYVIBXKKZ-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269268;MM269268;C=C(CC(=N)N)C(N)CC;SWFRMQLTZJSGQY-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269269;MM269269;C=C(CC(N)=O)C(N)CC;DDLDWTGWPLCGIG-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269270;MM269270;C=C(F)CC(=C)C(N)CN;SHISRSUKTQNWMX-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269271;MM269271;C=C(C)CC(=C)C(O)CN;POUUIIFFKKSIFV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269272;MM269272;C=C(CC(C)=O)C(O)CO;DUZWSJQCEYRBRC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269273;MM269273;C=C(CC(N)=O)C(F)CF;HVXIIEIPQUJLRT-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269274;MM269274;C=C(C)CC(=O)C(C)CF;NKPUVUGCPYFLTD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269275;MM269275;CCC(C)C(=O)CC(=N)N;MUUWPCGRGYHDMJ-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269276;MM269276;CC(CF)C(=O)CC(=N)N;QMUBUNZLRJOXTN-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269277;MM269277;C=C(F)CC(=O)C(C)CF;LNBYYWNSEZDZBP-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269278;MM269278;CC(=O)CC(=O)C(O)CO;RCEYQDBQWQEYMC-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269279;MM269279;N=C(N)CC(=O)C(O)CO;ZFIZQCUUJDBGAH-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269280;MM269280;C=C(F)CC(=O)C(O)CF;WIOQFXKABLOKGS-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269281;MM269281;C=C(C)CC(=O)C(F)CC;SQYHLLPSDXKBID-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269282;MM269282;CCC(F)C(=O)CC(N)=O;NPHVVWYWDHNBKJ-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269283;MM269283;C=C(C)CC(=C)C(C)NC;CKDYVSGOHXZBQF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269284;MM269284;C=C(F)CC(=C)C(C)NC;UPRKIMPRXNKRPX-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269285;MM269285;C=C(C)CC(=O)C(C)NC;XHHXYPAKIMELPJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269286;MM269286;C=C(F)CC(=O)C(C)NC;APXSIXOKDYIGCM-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269287;MM269287;C=C(C)CC(=O)C(C)OC;DKWFKJBIHBZWQR-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269288;MM269288;COC(C)C(=O)CC(C)=O;ZGSQBPZVQKTIJQ-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269289;MM269289;C=C(NC(C)=N)C(C)CN;WVBQFKSEUDKCEA-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269290;MM269290;C=C(NC(C)=N)C(C)CF;IIUKFVRLJWAWFT-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269291;MM269291;C=C(NC(C)=O)C(C)CN;QRUTYPLQPLUCFR-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269292;MM269292;C=C(NC(C)=O)C(C)CF;XVXUSIDVNQAWSC-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269293;MM269293;C=C(NC(=N)N)C(C)CC;GOHLONFACIZOPD-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269294;MM269294;C=C(NC(=N)N)C(C)CN;NUOYKSRBNDSSCP-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269295;MM269295;C=C(NC(=N)N)C(C)CF;CUFGJPACLPSQKO-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269296;MM269296;C=C(NC(N)=O)C(C)CC;BWGYWPHHRBYJGN-UHFFFAOYSA-N;142.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269297;MM269297;C=C(NC(N)=O)C(C)CF;IARHHCLCDODZIN-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269298;MM269298;C=C(NC(C)=N)C(N)CC;CYJYXFXLEGWREZ-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269299;MM269299;C=C(NC(=N)N)C(N)CO;UWOOIYOEICLDIC-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269300;MM269300;C=C(NC(C)=O)C(O)CO;PXIHPRQDPQRBKA-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269301;MM269301;C=C(NC(C)=O)C(O)CF;HYNRSTZLALMPIQ-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269302;MM269302;C=C(NC(=N)N)C(F)CC;HIKQWWJOQOVBEK-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269303;MM269303;C=C(C)NC(=N)C(C)CN;NWVPOGHRZCUMIL-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269304;MM269304;C=C(C)NC(=N)C(C)CO;DXHTVFDUQSRVKX-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269305;MM269305;C=C(C)NC(=N)C(C)CF;QFGKQRZQLYGVMJ-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269306;MM269306;CC(=N)NC(=N)C(C)CF;SVYKSQGHIMXIDT-UHFFFAOYSA-N;145.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269307;MM269307;CCC(C)C(=N)NC(=N)N;UGQYISLPQCFCQV-UHFFFAOYSA-N;142.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269308;MM269308;C=C(C)NC(=N)C(N)CN;VDORUWIDYLKUSW-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269309;MM269309;CCC(N)C(=N)NC(C)=N;KMMZAQPAUZMLBT-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269310;MM269310;CC(=N)NC(=N)C(N)CO;RGILECFNBLUPTK-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269311;MM269311;CC(=N)NC(=N)C(N)CF;ROXVTKOEBXCWLQ-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269312;MM269312;CC(=O)NC(=N)C(N)CN;IWVMJZMQUUXNRR-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269313;MM269313;CCC(N)C(=N)NC(=N)N;PBDLZEZFUTUEJU-UHFFFAOYSA-N;143.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269314;MM269314;N=C(N)NC(=N)C(N)CN;FVIXQEHNTZSYRH-UHFFFAOYSA-N;144.18;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269315;MM269315;N=C(N)NC(=N)C(N)CO;UGPLKCDQMPDNFE-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269316;MM269316;N=C(NC(N)=O)C(N)CN;PDKUGZNISFHHGN-UHFFFAOYSA-N;145.17;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269317;MM269317;C=C(C)NC(=N)C(O)CO;PXEAOKLLDDEYNR-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269318;MM269318;CCC(O)C(=N)NC(C)=N;MMLBCHQZDNUYLF-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269319;MM269319;CC(=N)NC(=N)C(O)CO;VSZCXAAHQVRKKR-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269320;MM269320;CC(=O)NC(=N)C(O)CN;XXWILJOZPZMHDB-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269321;MM269321;CC(=O)NC(=N)C(O)CO;ZYCOYGQIADEDQY-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269322;MM269322;CC(=O)NC(=N)C(O)CF;ASKAQCWKCFYWLE-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269323;MM269323;N=C(N)NC(=N)C(O)CN;VJZICRAKTQKZKH-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269324;MM269324;N=C(N)NC(=N)C(O)CF;CWYYLOXWARQCGS-UHFFFAOYSA-N;148.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269325;MM269325;CCC(O)C(=N)NC(N)=O;OLWOOPPHUQEFLQ-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269326;MM269326;N=C(NC(N)=O)C(O)CN;XNNWLNPVDRJHGO-UHFFFAOYSA-N;146.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269327;MM269327;N=C(NC(N)=O)C(O)CF;CKPVAZHQAUIMSZ-UHFFFAOYSA-N;149.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269328;MM269328;CC(=N)NC(=N)C(F)CO;GZUYWOLIHNVBAH-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269329;MM269329;CC(=O)NC(=N)C(F)CO;YBYWHAVPTBONHU-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269330;MM269330;N=C(N)NC(=N)C(F)CN;KDPZFKGOHWXMKK-UHFFFAOYSA-N;147.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269331;MM269331;C=C(C)NC(=O)C(C)CN;LJWMUQMQARMFDE-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269332;MM269332;C=C(C)NC(=O)C(C)CF;VWSHNVNVLBEPQO-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269333;MM269333;CCC(C)C(=O)NC(C)=O;UCVULNOFVGDIJK-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269334;MM269334;CC(=O)NC(=O)C(C)CO;PWUSELAAUNEGSA-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269335;MM269335;CC(CO)C(=O)NC(N)=O;YHAKMSAVHSVMFV-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269336;MM269336;CNC(=NN)ON=CNO;NAFLTPFWKSPEMA-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269337;MM269337;NN=C(NN)ON=CNO;PQDGCMCHDDBULA-UHFFFAOYSA-N;148.13;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269338;MM269338;N=C(N)NC(=O)C(N)CN;LUACFRMRISKSKA-UHFFFAOYSA-N;145.17;-2.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269339;MM269339;N=C(N)NC(=O)C(N)CO;IPFDYYDLYULLIM-UHFFFAOYSA-N;146.15;-2.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269340;MM269340;N=C(N)NC(=O)C(N)CF;YMKJZPGQINILIJ-UHFFFAOYSA-N;148.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269341;MM269341;NCC(N)C(=O)NC(N)=O;ZINMKIGHCZXSPP-UHFFFAOYSA-N;146.15;-2.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269342;MM269342;CC(C)c1ccc(N=N)[nH]1;ZZXYCPPDKJLPAP-UHFFFAOYSA-N;137.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269343;MM269343;C=CCN1CC(CO)C=N1;XIXOEILKLSTKGF-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269344;MM269344;C=C(C)NC(=O)C(O)CO;NFQOATDGPXMYPE-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269345;MM269345;N#CCN1CC(CO)C=N1;SRBRADNPJFPQFC-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269346;MM269346;CCC(O)C(=O)NC(C)=O;GXUZPTBNADLOMD-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269347;MM269347;CC(=O)NC(=O)C(O)CO;JOSRGSHRABIRFG-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269348;MM269348;CCC(O)C(=O)NC(=N)N;YDJHODPHVOIGQC-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269349;MM269349;NC(=O)NC(=O)C(O)CO;NSRBHGOXSNGDMY-UHFFFAOYSA-N;148.12;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269350;MM269350;CC(=N)NC(=O)C(F)CO;CLEWCLSNOYANGZ-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269351;MM269351;CC(=O)NC(=O)C(F)CO;ALMJKJIFTOFNQR-UHFFFAOYSA-N;149.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269352;MM269352;N=C(N)NC(=O)C(F)CN;YOJJKTHEYDTGLD-UHFFFAOYSA-N;148.14;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269353;MM269353;NC(=O)NC(=O)C(F)CO;XUOFNWJWJJKHJN-UHFFFAOYSA-N;150.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269354;MM269354;C=C(NC(N)=O)C(C)NC;ONLBGSOPGKBSSQ-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269355;MM269355;CNC(C)C(=N)NC(C)=N;YDVVNHVFMMXUEH-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269356;MM269356;CNC(C)C(=N)NC(=N)N;HWPSQAKQRXTOGR-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269357;MM269357;CNC(C)C(=O)NC(=N)N;DBOPGURVGLTDSW-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269358;MM269358;COC(C)C(=N)NC(C)=N;LCSCOQPBLBDRDV-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269359;MM269359;COC(C)C(=N)NC(N)=O;DRSUGGWWAASMCY-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269360;MM269360;COC(C)C(=O)NC(C)=O;OILBSYYTMXYMJM-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269361;MM269361;COC(C)C(=O)NC(=N)N;MZHADWPVABCIDV-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269362;MM269362;C=C(C)OC(=C)C(N)CN;UQZGLXVXEOAZRT-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269363;MM269363;C=C(C)OC(=C)C(O)CO;RQAHWTZTLVOEEN-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269364;MM269364;C=C(C)OC(=O)C(C)CC;ACSDBBZWWBUXLR-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269365;MM269365;C=C(C)OC(=O)C(N)CN;PUVJVXZZYDIGDK-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269366;MM269366;C=C(C)OC(=O)C(O)CC;CAAFEACSVIWQRC-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269367;MM269367;C=C(F)CC(=N)N(N)CC;MWOOQZWCFGXKIJ-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269368;MM269368;CCN(N)C(=O)CC(=N)N;XKZZIEDUTAWQFK-UHFFFAOYSA-N;144.18;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269369;MM269369;C#CCN1CC(CO)C=N1;GFDIMHBUMUHHCC-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269370;MM269370;CNN(C)C(=N)CC(C)=O;WIUZRQZNTCOWQF-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269371;MM269371;C=C(F)CC(=N)N(C)NC;KWRKLKBIIIIOQI-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269372;MM269372;CC=Cc1c[nH]c(N=N)c1;KQXUHXBNWGYAGV-UHFFFAOYSA-N;135.17;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269373;MM269373;CON(C)C(=N)CC(=N)N;JOFNSBLGVGTEHF-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269374;MM269374;C=C(F)CC(=O)N(C)OC;IFOLCFSFTAGHKO-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269375;MM269375;CCN(C)C(=N)NC(N)=O;GAXUUZOACADSJB-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269376;MM269376;CCN(O)C(=N)NC(C)=N;XZYLFNMKSCDTBK-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269377;MM269377;C=C(C)NC(=O)N(C)CC;ZPIQZWHGMATAFF-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269378;MM269378;CCN(C)C(=O)NC(=N)N;FEAFQZLVTOFASB-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269379;MM269379;CCN(C)C(=O)NC(N)=O;GONLMTYPKMCZQR-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269380;MM269380;N#CCN1CC1CNC=O;AYPSWUHOVXBUEA-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269381;MM269381;C=CC(C=NN1CC1)CO;DHCWRDOUUYNUSL-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269382;MM269382;CCN(O)C(=O)NC(C)=N;RTBBPWASKLLGRQ-UHFFFAOYSA-N;145.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269383;MM269383;CCN(O)C(=O)NC(N)=O;SODYVQYXGUYUMJ-UHFFFAOYSA-N;147.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269384;MM269384;CNN(C)C(=N)NC(C)=N;WDEDTZVPILRMBJ-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269385;MM269385;CNN(C)C(=N)NC(C)=O;WYSAJAAJSHHUPC-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269386;MM269386;CNN(C)C(=N)NC(=N)N;WQBYXSARFABBOU-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269387;MM269387;CNN(C)C(=N)NC(N)=O;RNFGRGQTYAOCKH-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269388;MM269388;Cn1cnc(N)n1;CNSCXLZIKKHZND-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269389;MM269389;Cc1c[nH]nc1F;SZWKJHORSWFMHP-UHFFFAOYSA-N;100.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269390;MM269390;CNN(C)C(=O)NC(=N)N;RMAATQZCGJKRCH-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269391;MM269391;CCC=NN=CNO;PTKSRTZWCLJQJF-UHFFFAOYSA-N;115.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269392;MM269392;CON(C)C(=O)NC(C)=O;PPQVMZOKUQWUSH-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269393;MM269393;CCN(C)C(=N)OC(=N)N;LUAIYAOIYATMCY-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269394;MM269394;CON(C)C(=N)OC(C)=O;WGOOBASSPUYODH-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269395;MM269395;C=C(CC(C)=O)C(C)C#N;CVEQWLLLNVTNQW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269396;MM269396;C=CC(C)C(=C)CC(=N)N;OYICOIBWEZIUDO-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269397;MM269397;C=C(CC(=N)N)C(C)C=O;HXXJFYHBFVQEOC-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269398;MM269398;CN1CC1C1CC1O;ITNVTKWRXZQGHJ-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269399;MM269399;C=C(CC(N)=O)C(C)C=O;YRTPBBKRJMGNND-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269400;MM269400;C=C(CC(=O)O)C(C)C#N;LAFJHSPGYQFVSY-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269401;MM269401;C=CC(N)C(=C)CC(=C)C;QWQSPROACLTKCN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269402;MM269402;C=CC(N)C(=C)CC(=N)N;YKSUESHPMMNOGG-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269403;MM269403;C=CC(O)C(=C)CC(=N)N;DQIPBJYFOCYKNO-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269404;MM269404;C=C(CC(=N)N)C(O)C=O;DGJIVIYYLCNNBQ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269405;MM269405;C=CC(O)C(=C)CC(N)=O;KXVZVTVEKMPEFU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269406;MM269406;C=C(CC(C)=O)C(F)C=O;MLRHALJCIMLAJD-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269407;MM269407;C=CC(C)C(=O)CC(=C)C;KMHJDKQFAGWRGA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269408;MM269408;C=C(C)CC(=O)C(C)C=O;PIHVFRAGZRBELZ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269409;MM269409;CC(=O)CC(=O)C(C)C=O;YVEMCUIKQUXABT-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269410;MM269410;C=CC(C)C(=O)CC(=N)N;WSWWSUJYHFPHQC-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269411;MM269411;C=CC(C)C(=O)CC(N)=O;IQKGTLDJTRYIRW-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269412;MM269412;CC(=O)CC(=O)C(O)C=O;MHRYGIXSGRPEKR-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269413;MM269413;N#CC(O)C(=O)CC(=N)N;OOAYKRWOJZUNSE-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269414;MM269414;N#CC(O)C(=O)CC(N)=O;HUYKYWYXFIRFRE-UHFFFAOYSA-N;142.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269415;MM269415;C=C(F)CC(=O)C(O)C=O;DUXYOPKWFUQIBL-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269416;MM269416;C=C(C)CC(=O)C(F)C#N;AQVBCIZEXPZNEN-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269417;MM269417;C=CC(F)C(=O)CC(=N)N;PXSLSLMJOUUGIZ-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269418;MM269418;C=CC(F)C(=O)CC(N)=O;SAHFSVJAWSFKQS-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269419;MM269419;C=CC(C)C(=C)NC(C)=N;AXTXJCMUYFNRCL-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269420;MM269420;C=C(NC(C)=N)C(C)C#N;VIOKOBFVBPNPEU-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269421;MM269421;C=CC(C)C(=C)NC(C)=O;NFVJWSWBSIUFCW-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269422;MM269422;C=C(NC(C)=O)C(C)C#N;MSKKNKLILOOKGV-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269423;MM269423;C=C(NC(=N)N)C(C)C#N;IHIZDUQVEZFFGM-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269424;MM269424;C=CC(C)C(=C)NC(N)=O;HMJMABHRYCBJPO-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269425;MM269425;C=CC(N)C(=C)NC(C)=N;JULYRCNVUUTGTR-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269426;MM269426;C=CC(N)C(=C)NC(=N)N;ZVZLKEARBBWKFB-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269427;MM269427;C=CC(O)C(=C)NC(C)=N;REFNUNHDIFQSDK-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269428;MM269428;C=C(NC(C)=N)C(O)C#N;LSDLERDOSYFBMN-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269429;MM269429;C=C(NC(=N)N)C(O)C#N;PZJFSXWAJKPOPA-UHFFFAOYSA-N;140.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269430;MM269430;C=CC(F)C(=C)NC(N)=O;USYPSCSPRGQAAI-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269431;MM269431;C=CC(C)C(=N)NC(=C)C;YVAUCJBJOMKZQV-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269432;MM269432;CC(N)=NC(=N)C(C)C=O;CMOBWVXACCJLCO-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269433;MM269433;C=CC(C)C(=N)NC(=N)N;AKGRXVVGHKEINB-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269434;MM269434;C=NNCCC(C)(C)O;QWNKFQLRQDBDAR-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269435;MM269435;C=CC(N)C(=N)NC(C)=N;XNQOPXBWFDOHIY-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269436;MM269436;C=CC(N)C(=N)NC(=N)N;OVADPUOESFUKBY-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269437;MM269437;C=CC(O)C(=N)NC(=C)C;UFWQGODCPCECQK-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269438;MM269438;CC(=N)NC(=N)C(O)C#N;WBQAEKPMUIXKKY-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269439;MM269439;CC(=O)NC(=N)C(O)C=O;GAJOEIMEAICQAM-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269440;MM269440;CC(=O)NC(=N)C(O)C#N;PDFKOEUGRDHYHL-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269441;MM269441;CC(=N)NC(=N)C(F)C#N;QGNCFMJXQLNRLN-UHFFFAOYSA-N;142.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269442;MM269442;C=C(C)NC(=O)C(C)C#N;RIPNXBJESOMXHM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269443;MM269443;CC(=N)NC(=O)C(C)C#N;TVVGDOHASYEPIV-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269444;MM269444;CC(C=O)C(=O)NC(N)=O;IKAQXNMQUGFXNZ-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269445;MM269445;CC(C#N)C(=O)NC(N)=O;SFOGQQHBYIGBGM-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269446;MM269446;CC(C)(C)ON=CNO;XWYZPDXNXQMTQC-UHFFFAOYSA-N;132.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269447;MM269447;CNC1(C#N)CC(O)C1;NDXMUQZVZNDDHT-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269448;MM269448;C=C(C)NC(=O)C(O)C#N;ARZSNMUAIRMBOX-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269449;MM269449;CC(=N)NC(=O)C(O)C=O;HVKOVIMJZOHIHK-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269450;MM269450;CC(=N)NC(=O)C(O)C#N;NJKTVJRHYCKFBY-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269451;MM269451;N#CC(O)C(=O)NC(N)=O;BDBKCXXTKYMJIZ-UHFFFAOYSA-N;143.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269452;MM269452;CC(=N)NC(=O)C(F)C=O;AXXNJUQOHUBNLM-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269453;MM269453;N#CC(F)C(=O)NC(N)=O;QIYKYPFKKANSAE-UHFFFAOYSA-N;145.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269454;MM269454;C=C(C)OC(=C)C(C)C#N;HEQFGFZQSJVJGY-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269455;MM269455;C=C(OC(C)=O)C(C)C#N;OFXGIMZNRLTHAJ-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269456;MM269456;C=C(C)OC(=C)C(O)C#N;AQHVOWZDAISCAK-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269457;MM269457;C=C(C)OC(=O)C(C)C=O;MTQFWRYZRFHLBA-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269458;MM269458;C=CC(O)C(=O)OC(=C)C;PLRUVKCFZREBRF-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269459;MM269459;C=C(CC(=N)N)N(C)C=O;HNYCOWODYYZNSS-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269460;MM269460;C=C(F)CC(=C)N(C)C=O;VXNNMYOUFAFMIM-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269461;MM269461;C=C(CC(=N)N)N(O)C=N;LZMYUAQAAXOJRV-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269462;MM269462;C=C(CC(N)=O)N(O)C=O;XWMDEPWFGHDBOM-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269463;MM269463;C=C(F)CC(=C)N(O)C=O;DZSXEBDBFLWCNM-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269464;MM269464;CN(C=N)C(=N)CC(=N)N;RHBMSZGOZNGOBS-UHFFFAOYSA-N;141.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269465;MM269465;CN(C=N)C(=N)CC(N)=O;IRAPHVYWRRJJFT-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269466;MM269466;C=C(C)CC(=N)N(N)C=N;ULINYKIDGOIDKF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269467;MM269467;N=CN(N)C(=N)CC(=N)N;KZWCMVSDBFXKHS-UHFFFAOYSA-N;142.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269468;MM269468;N=C(N)CC(=N)N(N)C=O;LXALOROSVBVPEV-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269469;MM269469;Cn1[nH]c(O)c(O)c1=O;IKKKDFORRWDNFR-UHFFFAOYSA-N;130.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269470;MM269470;C=CN(O)C(=N)CC(=C)C;IYGODWFALOEVSN-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269471;MM269471;C=CN(O)C(=N)CC(=N)N;FAGINYXASJPNAK-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269472;MM269472;CC(C)OC(C)(C)C(=O)O;XXRKUOZMAXFPJR-UHFFFAOYSA-N;146.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269473;MM269473;C=C(C)CC(=O)N(C)C=N;DZTVKOOAWVCERP-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269474;MM269474;CC(=O)CC(=O)N(C)C=O;WJPWUUYROYCANS-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269475;MM269475;CN(C=O)C(=O)CC(=N)N;HWEBNCQXQYGQNW-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269476;MM269476;CN(C=O)C(=O)CC(N)=O;DYZSPPHHUCVKNH-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269477;MM269477;C=CC1(CC(=O)O)CO1;GQPTWXRHRMASQT-UHFFFAOYSA-N;128.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269478;MM269478;ON=c1onc(O)n1O;ULBWYRJMZOJXKW-UHFFFAOYSA-N;133.06;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269479;MM269479;C=C(OC)C(O)CC(=O)O;MIUBGJSXZGBLEL-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269480;MM269480;N=CN(N)C(=O)CC(=N)N;PNILDULBMDGNFL-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269481;MM269481;N=C(N)CC(=O)N(N)C=O;WCWLJHAQJPQJTH-UHFFFAOYSA-N;144.13;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269482;MM269482;CC(C)CON=CNO;IBNKXQYSQPSCGI-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269483;MM269483;C=C(C)CON=CNO;QOWGGSNVQABZOE-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269484;MM269484;NC(=O)CC(=O)N(N)C=O;ACRWOCDBQLYNNY-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269485;MM269485;C=CC(O)C(O)CC(=O)O;NZHBDTOZWJHRAX-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269486;MM269486;COC=CC(O)CC(=O)O;GTLPSGIXCIYRJV-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269487;MM269487;CC(=O)CON=CNO;CYJNTAXCRDCMFX-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269488;MM269488;CC(C)C=NN=CNO;GBEQPEYVXHQONT-UHFFFAOYSA-N;129.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269489;MM269489;C=C(C)C=NN=CNO;LZHVTFMQMHYPNU-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269490;MM269490;C=CN(O)C(=O)CC(N)=O;ZJVSZOWSZHSVMC-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269491;MM269491;Oc1c(F)oc(F)c1O;RICJLOZYPPPSHZ-UHFFFAOYSA-N;136.05;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269492;MM269492;C=CN(O)C(=O)CC(=C)F;RDNOVXBZMMTTEV-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269493;MM269493;CC(=O)C=NN=CNO;FLUYHSCRCLQARW-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269494;MM269494;CC(C)(C(=O)O)C(O)CO;KWZUMVFIPWIRLP-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269495;MM269495;C=NN(C)C(=O)CC(=C)C;QSRWDUWYUCDERQ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269496;MM269496;C=NN(C)C(=O)CC(=N)N;HPAPETUXCFEYAX-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269497;MM269497;CC(C=O)=NN=CNO;WUGYBFHITGPIMY-UHFFFAOYSA-N;129.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269498;MM269498;C=C(NC(C)=N)N(C)C=N;NUCVIKSTYANYHD-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269499;MM269499;C=C(NC(C)=N)N(C)C=O;UYHYRULEGQLHCZ-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269500;MM269500;C=C(NC(C)=O)N(C)C=O;UJFDGWGKDXOGSI-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269501;MM269501;C=C(NC(N)=O)N(C)C=O;URVXRXAGMJJSSJ-UHFFFAOYSA-N;143.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269502;MM269502;C=C(NC(C)=N)N(O)C=N;WUOGNZWJRBSVAL-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269503;MM269503;C=C(NC(C)=O)N(O)C=O;GQVCGSRBCCCOOC-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269504;MM269504;CC(=N)NC(=N)N(C)C=N;DTYPCGIWXNMKQG-UHFFFAOYSA-N;141.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269505;MM269505;CC(=N)NC(=N)N(C)C=O;ZBODGWIAOXOWSQ-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269506;MM269506;CC(=O)NC(=N)N(C)C=N;SEIUOEWXVOYBTH-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269507;MM269507;CC(C#N)=NN=CNO;BRSQKQPHOHSTER-UHFFFAOYSA-N;126.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269508;MM269508;C=CN(C)C(=N)NC(N)=O;NLCPSJCIKAYVKO-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269509;MM269509;CN(C=N)C(=N)NC(N)=O;PTWGYVSCSMWORX-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269510;MM269510;CC(=N)NC(=N)N(N)C=N;ZOMPTOTWZMQITR-UHFFFAOYSA-N;142.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269511;MM269511;CC(=N)NC(=N)N(N)C=O;UAKOFFYVMWMLSU-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269512;MM269512;CC(=O)NC(=N)N(N)C=N;ACVFHOVNRALRQQ-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269513;MM269513;N=CN(N)C(=N)NC(=N)N;ZMQYTJZQALAJHW-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269514;MM269514;N=C(N)NC(=N)N(N)C=O;ZAKNBOMLGRVKJJ-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269515;MM269515;C=CN(N)C(=N)NC(N)=O;TZODQMSCXBWUHN-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269516;MM269516;N=CN(N)C(=N)NC(N)=O;KJHUSLOOCJRIPT-UHFFFAOYSA-N;144.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269517;MM269517;C=CN(O)C(=N)NC(C)=N;DQAYPDDMYVTQFL-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269518;MM269518;CC(=N)NC(=N)N(O)C=N;WCHSJOAEGLKSLH-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269519;MM269519;C=CN(O)C(=N)NC(=N)N;FMDKECCQPXZNDH-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269520;MM269520;C=C(C)NC(=O)N(C)C=O;MXLPVKYYYCMDDP-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269521;MM269521;CC1CC1ON=CNO;RKQRFMBBLZTVOF-UHFFFAOYSA-N;130.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269522;MM269522;OCC(CF)CN1CC1;ZRMWDMWFKPNZLN-UHFFFAOYSA-N;133.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269523;MM269523;C=CN(C)C(=O)NC(C)=O;JUEOADSPWBDIOZ-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269524;MM269524;C=CN(C)C(=O)NC(=N)N;FVTPCWFGNZFLSG-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269525;MM269525;CN(C=O)C(=O)NC(=N)N;KYQXLICQKVQWNW-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269526;MM269526;C=CN(C)C(=O)NC(N)=O;QGYKXAWGYXHBGH-UHFFFAOYSA-N;143.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269527;MM269527;CCCCON=CNO;DEAKRUDIUGIMLM-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269528;MM269528;CC=CCON=CNO;BBSFEQYEBYNGIS-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269529;MM269529;NN=CCON=CNO;RQQJGRGCBJHTTA-UHFFFAOYSA-N;132.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269530;MM269530;CC(=O)NC(=O)N(N)C=O;SUOGWVWTHUGALZ-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269531;MM269531;N=CN(N)C(=O)NC(=N)N;UKAOVZJGOKSMOO-UHFFFAOYSA-N;144.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269532;MM269532;C=CN(O)C(=O)NC(=C)C;MFTJBNHIGLWOOF-UHFFFAOYSA-N;142.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269533;MM269533;C=CN(O)C(=O)NC(=N)N;QBLNAMNGWBQLER-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269534;MM269534;C=CN(O)C(=O)NC(N)=O;VWFXENRLIHKCFP-UHFFFAOYSA-N;145.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269535;MM269535;C=NN(C)C(=N)NC(=C)C;LRYBHWOBOIXLEK-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269536;MM269536;C=NN(C)C(=N)NC(=N)N;FQRWKGTVWFFFGK-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269537;MM269537;CC#CCON=CNO;HYVQWNIAPXQBAO-UHFFFAOYSA-N;128.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269538;MM269538;CCCC=NN=CNO;SEDWOGVFIDKOFX-UHFFFAOYSA-N;129.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269539;MM269539;C=NN(C)C(=O)NC(C)=O;MLEFICQWBVLPIK-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269540;MM269540;C=C(C)OC(=C)N(C)C=O;PXOLBTXNMQJUTF-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269541;MM269541;C=C(C)OC(=C)N(N)C=O;GCITZZISMIRHDG-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269542;MM269542;CC(=O)OC(=N)N(N)C=N;SRLSXDPTWMTUKR-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269543;MM269543;CC(=O)OC(=N)N(N)C=O;WBTVQUUREJOAIM-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269544;MM269544;CC=CC=NN=CNO;OVLXGJQKURQEDM-UHFFFAOYSA-N;127.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269545;MM269545;C#CC(C)C(=C)CC(=N)N;QRUJIGYYPAMTKT-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269546;MM269546;C#CC(C)C(=C)CC(N)=O;RANFHVRVTQBGRQ-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269547;MM269547;ON=CC(F)=C(F)F;BCPBQQTXACNLSS-UHFFFAOYSA-N;125.05;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269548;MM269548;C#CC(C)C(=O)CC(=N)N;AHAMPPJIEVXDLE-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269549;MM269549;C#CC(O)C(=O)CC(C)=O;HCKCCLPOJOFPLA-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269550;MM269550;C#CC(O)C(=O)CC(=N)N;UJISWWQEFVNWMY-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269551;MM269551;C#CC(F)C(=O)CC(=N)N;IDIDDHUQSFQEDO-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269552;MM269552;C#CC(C)C(=C)NC(C)=N;GXLHYOGRNDCJRX-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269553;MM269553;C#CC(N)C(=C)NC(C)=N;UTOFEDJOZHLPAI-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269554;MM269554;C#CC(N)C(=C)NC(=N)N;AQCVRRRWXHQXLV-UHFFFAOYSA-N;138.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269555;MM269555;C#CC(C)C(=N)NC(=N)N;GGWWTSUJKCEKRE-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269556;MM269556;C=NN1CC1C1CC1O;VFOYLGLCEHLCBV-UHFFFAOYSA-N;126.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269557;MM269557;C#CC(N)C(=N)NC(C)=N;GRIPAKYJTASJRL-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269558;MM269558;C#CC(O)C(=N)NC(C)=N;FBEOHPMHRCWOHN-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269559;MM269559;C#CC(O)C(=N)NC(C)=O;YIJRYFMXPVUGBO-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269560;MM269560;C#CC(O)C(=N)NC(N)=O;LCMLFKNSGLPZQD-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269561;MM269561;C#CC(F)C(=N)NC(C)=N;MXLAHXQMZXDPIO-UHFFFAOYSA-N;141.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269562;MM269562;C#CC(F)C(=N)NC(=N)N;JSKCMCXIJFSKFF-UHFFFAOYSA-N;142.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269563;MM269563;C#CC(C)C(=O)NC(=N)N;SSZKDBUIDRVRTK-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269564;MM269564;C#CC(C)C(=O)NC(N)=O;OOBJWJATRWFBEY-UHFFFAOYSA-N;140.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269565;MM269565;C#CC(N)C(=O)NC(=N)N;COTFBUFBALKUFS-UHFFFAOYSA-N;140.15;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269566;MM269566;CC(C)(C)CON=CNO;XBUOFRDGFOXBLK-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269567;MM269567;CC(C)(C)C=NN=CNO;KSZRPRWUYJGPNM-UHFFFAOYSA-N;143.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269568;MM269568;C#CC(O)C(=O)NC(=N)N;HCFUJMXWMZFEFW-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269569;MM269569;C#CC(F)C(=O)NC(C)=N;UXFHJYCJNYJDMG-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269570;MM269570;C#CC(F)C(=O)NC(C)=O;DAROGJMHRLJFKV-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269571;MM269571;NC(=O)C=COCC(N)=O;PWKOALQNDAJOOV-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269572;MM269572;C=C(CF)C(=C)CC(C)F;YBSRCFJJXIEOFN-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269573;MM269573;C=C(CC(C)O)C(=O)CC;XSUGQINQCXNFBY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269574;MM269574;C=C(CC)C(=O)CC(C)O;CDWDCIXRGIKWTE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269575;MM269575;C=C(CC)C(=O)CC(F)F;ATJJXQRHMNVZSP-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269576;MM269576;CCC(C)(C)ON=CNO;OQWWADDFDXHGDO-UHFFFAOYSA-N;146.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269577;MM269577;C=C(CC(C)C)C(=O)NO;YOWXYQUBAKXMRO-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269578;MM269578;CC(C)(CF)ON=CNO;HBUJSRVBCZOLOC-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269579;MM269579;C=C(CC(F)F)C(=O)NO;CWSOMNGWQXDGHP-UHFFFAOYSA-N;151.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269580;MM269580;C=CC(C)(C)ON=CNO;PBKFOTNZXMPULJ-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269581;MM269581;C#CC(C)(C)ON=CNO;GZYKRGWSRBNPFR-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269582;MM269582;CNC(=O)C(=O)CC(C)F;PYXPLHLYDOCOPH-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269583;MM269583;C=C(CN)C(=N)NC(C)C;OSQCUIDLXGFUHU-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269584;MM269584;CNC(=N)C(=N)NC(C)C;LBDDAEHISPLHJK-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269585;MM269585;C=C(OC)C(=O)NC(C)C;GIIVBOJRXHDBRY-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269586;MM269586;C=C(OC(C)C)C(=O)CC;XOAWOSOJBZVBBR-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269587;MM269587;C=C(OC(C)C)C(=O)CF;OUQQCJAWHFPKBD-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269588;MM269588;CCC(=O)C(=O)OC(C)C;HVDARLRKRCTQMA-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269589;MM269589;CC(C)OC(=O)C(=O)CO;DULITNLZLGTCOJ-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269590;MM269590;CC(C)OC(=O)C(=O)CF;JZGJYZZUKWYYLV-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269591;MM269591;C=C(N=C(N)CF)C(N)=O;KZIIWUZSURSQKT-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269592;MM269592;C=C(OC(C)C)C(=O)NO;WBCWNAPJROPCTL-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269593;MM269593;C=C(CN(C)C)C(=N)NN;OJGWGWZSJFIRPD-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269594;MM269594;C=C(CN(C)C)C(=N)NO;ZAAGLNIZDVGRJI-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269595;MM269595;C=C(CN(C)C)C(=O)NN;HXUQHBOIIXXTAE-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269596;MM269596;CN=C(N)C(=O)CN(C)C;WFBQSAHDRQTCAZ-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269597;MM269597;C=C(CC)C(=N)NN(C)C;UBLZARBSZKRQFX-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269598;MM269598;CC(=CC(F)=CF)C(N)=O;RZLWOIVLYYIVLL-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269599;MM269599;CC(=O)C(=N)N(C)C(N)=O;IBGDKJUYEFPOGD-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269600;MM269600;C=C(CO)C(=O)NN(C)C;MYFGZYMYIBCQHI-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269601;MM269601;CCC(=O)C(=O)NN(C)C;UFDQATJLVOAINP-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269602;MM269602;CNC(=N)C(=N)NN(C)C;YFAKWUSKUYTCND-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269603;MM269603;CN(C)NC(=N)C(=N)NN;CSJVGDBTDKJFNJ-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269604;MM269604;CC(C)CCON=CNO;GOKVWPORTZBJDT-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269605;MM269605;CC(=O)CCON=CNO;SAZKQPNDLYFNOC-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269606;MM269606;CN(C)N=C(N)C(=O)NO;HMTZLXPOWKFABT-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269607;MM269607;C=C(C)OCON=CNO;ZCYQJBMIAFGMSM-UHFFFAOYSA-N;146.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269608;MM269608;CC(=O)OCON=CNO;ZNHGGYYVRPFUBG-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269609;MM269609;CC(C)CC=NN=CNO;OLOCUVBCYJITFD-UHFFFAOYSA-N;143.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269610;MM269610;C=C(OC)C(=N)NN(C)C;YKPVLXGNYZYCSX-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269611;MM269611;C=C(OC)C(=O)NN(C)C;ZADVXGKZCWWOSR-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269612;MM269612;COC(=O)C(=O)NN(C)C;KGTJVDCWVHVHIZ-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269613;MM269613;C=CC(=C)C(=C)CC(C)C;AWQJGDBDDLLOPV-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269614;MM269614;C=C(C=O)C(=C)CC(C)C;HCGUYCUECPGDTF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269615;MM269615;C=C(C#N)C(=C)CC(C)C;UADLYJVGIDZNLR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269616;MM269616;C=CC(=C)C(=C)CC(C)N;NJCVRJVITWYIHA-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269617;MM269617;C=C(C)OC=NN=CNO;HGUKWOVRFULMEZ-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269618;MM269618;CC(C)=CCON=CNO;FGAWQRBTGVZJQP-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269619;MM269619;C=C(C=O)C(=C)CC(C)F;ICCFUFVGRLOMPN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269620;MM269620;C=C(C#N)C(=C)CC(C)F;JHMPCRYUGOGJKR-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269621;MM269621;C=CC(=C)C(=C)CC(F)F;RKOVZTJPGQKVNR-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269622;MM269622;C=C(C#N)C(=C)CC(F)F;AHPRPURHZKNRFY-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269623;MM269623;C=CC(=O)C(=C)CC(C)C;CJHSXBINNOCKHZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269624;MM269624;C=C(CC(C)C)C(=O)C=O;NEGFEEBGPTZQAX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269625;MM269625;C=C(CC(C)C)C(=O)C#N;YYBJCONUZMDSIL-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269626;MM269626;C=CC(=O)C(=C)CC(C)O;GNDVCPUPLKLQSP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269627;MM269627;C=C(CC(C)O)C(=O)C#N;ZZERNSQZQIASMW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269628;MM269628;C=CC(=O)C(=C)CC(C)F;PWMTXVHLGYBFJG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269629;MM269629;C=C(CC(C)F)C(=O)C=O;VRWATFMMHKKCQP-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269630;MM269630;C=C(CC(F)F)C(=O)C=O;GYPTUILFJNTIIH-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269631;MM269631;C=CC(=C)C(=O)CC(C)O;OGAQRTNYTPANDC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269632;MM269632;C=CC(=O)C(=O)CC(C)C;OHEZNNUOJDXTDY-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269633;MM269633;C=CC(=O)C(=O)CC(C)F;WZVNTCBSFZBZAC-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269634;MM269634;CC(F)CC(=O)C(=O)C#N;XWHIDYHAZONFLH-UHFFFAOYSA-N;143.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269635;MM269635;C=CC(=O)C(N)=NC(C)C;DPKKZLJFVQHLDI-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269636;MM269636;CC(C)=CC=NN=CNO;UPTORTFMTBXHMP-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269637;MM269637;C=C(C#N)C(=O)NC(C)C;RBUCDEPYHJZDBJ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269638;MM269638;C=C(C=O)C(=O)OC(C)C;QTVOHIODOCFNEO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269639;MM269639;C=C(C#N)C(=O)OC(C)C;SQGOMFWCSGKGEP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269640;MM269640;C=CC(=O)C(=O)OC(C)C;UZGVXMNPYYESFM-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269641;MM269641;C=CC(=C)C(=C)CN(C)C;IGKJPTQDHJYJNZ-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269642;MM269642;CC(F)=CC=NN=CNO;ZZHYJIRSYWYQOU-UHFFFAOYSA-N;145.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269643;MM269643;C=CC(=C)C(=N)NN(C)C;FXQFHRSMRPHIIH-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269644;MM269644;C=C(C=O)C(=O)NN(C)C;HDDDDKSMKNUVNR-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269645;MM269645;C=C(C#N)C(=O)NN(C)C;MGVMCVVXTOLPOL-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269646;MM269646;C=CC(=O)C(=O)NN(C)C;GDDLWRDYEHYTHE-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269647;MM269647;C#CC(=C)C(=C)CC(F)F;KWWJSKZAJJGRJM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269648;MM269648;C#CC(=O)C(=C)CC(C)C;JRLJBICXINAPSQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269649;MM269649;C#CC(=C)C(=O)CC(F)F;ABDPFXOZCWSWAQ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269650;MM269650;C#CC(=O)C(=O)CC(F)F;UGGQZHBZOLOXBV-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269651;MM269651;C#CC(=C)C(=N)NN(C)C;IDWSCHOUCWAMRB-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269652;MM269652;NC(N)=CC=NN=CNO;XXJYFUUSPUGAGP-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269653;MM269653;C#CC(=C)C(=O)NN(C)C;OIZBWQPVUWHOIP-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269654;MM269654;C=C(C)CC(=C)C(=C)CN;FWZALLGFSNVPBI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269655;MM269655;C=C(CC)C(=C)CC(C)=O;SSBQFAPFSXLUQN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269656;MM269656;C=C(CC)C(=C)CC(=N)N;BCHJBXWNNDHDLJ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269657;MM269657;C=C(CN)C(=C)CC(=N)N;DZERMDHJOCGZOD-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269658;MM269658;CC(CCF)ON=CNO;VVYCUUCPJTXXHJ-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269659;MM269659;C=C(CN)C(=C)CC(N)=O;UQYTVQDDTQYEOP-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269660;MM269660;C=C(CC)C(=C)CC(=O)O;IQIMHRBBWCLSRV-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269661;MM269661;C=C(F)CC(=C)C(=C)CF;CINCDXWEERYLKP-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269662;MM269662;C=C(C)CC(=C)C(=O)CC;ZPKUBLAXLJAGRT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269663;MM269663;C=C(C)CC(=O)C(=C)CC;LSCDQBSLQYWRLE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269664;MM269664;C=C(C)CC(=O)C(=O)CC;QGPHHFNHCRTQOC-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269665;MM269665;C=C(C)CC(=O)C(=O)CO;OWYTUFQKAWHSMZ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269666;MM269666;CC(O)C(C(=O)O)C(C)O;CPTAYIFCHWCYCO-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269667;MM269667;C=C(F)CC(=O)C(=O)CF;CDNZAMWIMKYVOD-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269668;MM269668;C=C(CC(N)=O)C(N)=NN;QMMQNGBDGWICER-UHFFFAOYSA-N;142.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269669;MM269669;C=C(CO)C(O)CC(=O)O;MTXVDRINZSDQHC-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269670;MM269670;C=C(CC(C)=O)C(=O)NO;HNXMMOQTTYGVNS-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269671;MM269671;CC(C)(O)C(CO)C(=O)O;KCQHRKNMROBFFB-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269672;MM269672;CC(=O)CC(=O)C(=N)NO;VXMQRQRNGTWQBO-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269673;MM269673;N=C(N)CC(=O)C(=N)NO;QTSQDSCHHKFXAF-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269674;MM269674;N=C(NO)C(=O)CC(N)=O;VLVJYUVKDLYPDG-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269675;MM269675;CNC(=O)C(=O)CC(=N)N;VBGOUENIXALPJD-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269676;MM269676;CNC(=O)C(=O)CC(N)=O;FVLISLQESJGTET-UHFFFAOYSA-N;144.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269677;MM269677;C=C(F)CC(=O)C(=O)NC;ZIZXELHIRYXRNV-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269678;MM269678;O=C(O)CC(O)C=CCO;PSDRLSSSSMMGPA-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269679;MM269679;C=C(OC)C(=O)CC(=N)N;CWKUALSQDJLVET-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269680;MM269680;COC(=O)C(=O)CC(C)=O;OMHOEQINEXASKE-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269681;MM269681;COC(=O)C(=O)CC(=N)N;BAAJOOZMSLUXIO-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269682;MM269682;C=C(CN)C(=C)NC(C)=N;KHPDOCFLMZNEDP-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269683;MM269683;C=C(CO)C(=C)NC(C)=N;SBGDSQUBIUBBFP-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269684;MM269684;C=C(CF)C(=C)NC(C)=N;MAVDASZVEZHRPZ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269685;MM269685;C=C(CC)C(=C)NC(C)=O;ZGWBSCKUQDAWEY-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269686;MM269686;C=C(CN)C(=C)NC(C)=O;CLUUPVICQAFCJQ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269687;MM269687;C=C(CF)C(=C)NC(C)=O;BIEWLILHABMWOS-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269688;MM269688;C=C(CC)C(=C)NC(=N)N;HXNUTNYNDRZRAK-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269689;MM269689;C=C(CF)C(=C)NC(=N)N;PHROLPRFXWNKRL-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269690;MM269690;C=C(CC)C(=C)NC(N)=O;ZHECBRGQZXBGIX-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269691;MM269691;C=C(NC(=N)N)C(=O)CO;WATKEMNRXCCWME-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269692;MM269692;C=C(NC(=N)N)C(=O)CF;LYXRKWVGFYGLAS-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269693;MM269693;C=C(C)NC(=N)C(=C)CN;DMRVNIMUGHWTKE-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269694;MM269694;C=C(C)NC(=N)C(=C)CO;IOEKVUOTYFTFHB-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269695;MM269695;C=C(C)NC(=N)C(=C)CF;IJLKNOGDMJSOLO-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269696;MM269696;C=C(CC)C(=N)NC(C)=N;TVAPJEKRCMNVSS-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269697;MM269697;C=C(CN)C(=N)NC(=N)N;UAGCIOQDEMUSJX-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269698;MM269698;C=C(CO)C(=N)NC(=N)N;AMDMCLVWPXIQRU-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269699;MM269699;CC#CC(C)ON=CNO;PKFDHZZQQVEOFT-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269700;MM269700;C=C(CN)C(=N)NC(N)=O;QPOQOOCOUWHUQY-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269701;MM269701;CCCC(C)=NN=CNO;KXJSFXYGHRZNTR-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269702;MM269702;N=C(N)N=C(N)C(=O)CO;DKVPEHWCLNJWTK-UHFFFAOYSA-N;144.13;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269703;MM269703;CC(CCF)=NN=CNO;KHQHIVYUTYDAJL-UHFFFAOYSA-N;147.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269704;MM269704;C=C(CO)C(=O)NC(N)=O;YQCXPYHSOLGIGK-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269705;MM269705;C=C(NC(C)=O)C(N)=NC;FZYKVKFJLDGJCU-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269706;MM269706;C=C(NC(C)=O)C(=N)NN;WABSGPUKFVDHSD-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269707;MM269707;C=C(NC(C)=O)C(=N)NO;CCBCVMGRWUNGHK-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269708;MM269708;C=C(NC(N)=O)C(=N)NC;DQQGUIPNHGKDCW-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269709;MM269709;C=C(NC(C)=N)C(=O)NN;VHFYKZWQQNTFOO-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269710;MM269710;C=C(NC(C)=N)C(=O)NO;VXTMREDBCXQTBP-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269711;MM269711;C=C(NC(C)=O)C(=O)NC;ZHSJYBHCBFLWPF-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269712;MM269712;C=C(NC(=N)N)C(=O)NC;OPHPZAAIPPHNGG-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269713;MM269713;C=C(NC(N)=O)C(=O)NC;PSXMSDHBPZERMI-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269714;MM269714;CNC(=N)C(=N)NC(C)=N;KUUZBBNZHIQRKR-UHFFFAOYSA-N;141.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269715;MM269715;CC(=N)NC(=N)C(=N)NN;HGMGLBJFWXGPBJ-UHFFFAOYSA-N;142.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269716;MM269716;CC(=N)NC(=N)C(=N)NO;HLRVLLUSHUYQJJ-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269717;MM269717;CN=C(N)C(=N)NC(C)=O;SGMSNLXPVKALKZ-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269718;MM269718;CC(=O)NC(=N)C(=N)NN;GHBJCFYXMWHUQY-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269719;MM269719;CNC(=N)C(=N)NC(=N)N;YZGMOUSHPMDPKX-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269720;MM269720;CNC(=N)C(=N)NC(N)=O;VTQQVUSFBBGWNZ-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269721;MM269721;C#CCC(C)=NN=CNO;QBIOCDOORCATES-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269722;MM269722;C=C(C)N=C(N)C(=O)NO;DMCPANUEVOASBA-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269723;MM269723;CC=CC(C)=NN=CNO;YNLLQGXFFSJXQM-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269724;MM269724;CC(=N)N=C(N)C(=O)NO;APSALLPNASNWAB-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269725;MM269725;CC(=O)NC(=N)C(=O)NN;BQNASBUVISWMEN-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269726;MM269726;CC(=O)NC(=N)C(=O)NO;SBRKNTGFMSZZEU-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269727;MM269727;CC(C=CN)=NN=CNO;QLOWIFGMLQUFGZ-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269728;MM269728;CC#CC(C)=NN=CNO;XXTFNHQSHBOXKE-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269729;MM269729;CC=CN(N)C(=O)NCC;GOTKSKALVMWPJP-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269730;MM269730;CC(=O)C(=N)NN=CNO;NIRVMSLEDWCWMC-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269731;MM269731;C=CC#CCC(=O)C(=N)N;XSNWRBQKSGVIQB-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269732;MM269732;CC(=NN=CNO)C(C)C;TVUJBLBMLOGABV-UHFFFAOYSA-N;143.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269733;MM269733;C=C(F)C(C)=NN=CNO;UTJIGSDGXYRDAT-UHFFFAOYSA-N;145.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269734;MM269734;CN=C(N)C(=O)NC(=N)N;COYNWWLANYIBMS-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269735;MM269735;CC(=CC#CC=O)C(N)=O;JUNOBAPAEODJNQ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269736;MM269736;CNC(=O)C(=O)NC(C)=N;YNUSXOQQQWXIBJ-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269737;MM269737;CC(=N)NC(=O)C(=O)NN;VCINOCQCDRADFZ-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269738;MM269738;CNC(=O)C(=O)NC(C)=O;FOOUXTNNLLGFEG-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269739;MM269739;CC(=O)NC(=O)C(=O)NN;RFFKABOVIDZCCQ-UHFFFAOYSA-N;145.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269740;MM269740;C=C(NC(=N)N)C(=C)OC;XCMVZDGXZGGLIO-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269741;MM269741;C=C(NC(N)=O)C(=C)OC;IGZLRGOEATUBEE-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269742;MM269742;C=C(N=C(C)N)C(=O)OC;DABSTFRZMCPJQA-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269743;MM269743;C=C(OC)C(=N)NC(C)=O;QOWHODKKZQATHW-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269744;MM269744;C=C(OC)C(=N)NC(=N)N;HIKHQOQNVIXUAD-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269745;MM269745;CC1CC1(C)ON=CNO;FIJKNOMCDTXTSH-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269746;MM269746;C=C(C)NC(=N)C(=O)OC;HXXBISIDANXZHH-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269747;MM269747;CNC(=O)CN(C=N)C=O;DFOYTQJRKDBJRV-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269748;MM269748;C=C(OC)C(=O)NC(=N)N;NZKXBDZQFVPZKQ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269749;MM269749;C=C(C)OC(=C)C(=C)CN;ZWSFORXYQPHXJM-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269750;MM269750;C=C(C)OC(=C)C(=O)CF;UADCKFDZVNHHSC-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269751;MM269751;C=C(OC(C)=O)C(=O)CO;ZWICQHLKTIORRI-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269752;MM269752;C=C(C)OC(=O)C(=C)CN;VYDZCHMIUUFGFP-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269753;MM269753;C=C(C)OC(=O)C(=O)CC;SHMHWCCBNZZQCO-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269754;MM269754;C=C(C)OC(=C)C(=N)NC;UDSCAWMFIRPTFU-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269755;MM269755;C=C(C)OC(=C)C(=N)NN;YSIBVPUCVJCTDY-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269756;MM269756;C=C(C)OC(=C)C(=N)NO;CTPAUAAFUNFZAX-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269757;MM269757;C=C(OC(C)=O)C(=N)NN;OBAPBEFYBMCTGX-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269758;MM269758;C=C(C)OC(=C)C(=O)NC;CLALEOCNHRLYJR-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269759;MM269759;CN(CCC=O)N=CNO;ITERWSAYIWQNSF-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269760;MM269760;C=C(C)OC(=C)C(=O)NO;CUSXZTYVAQLGRI-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269761;MM269761;C=C(OC(C)=O)C(=O)NO;PTRRQEPQVHYBAH-UHFFFAOYSA-N;145.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269762;MM269762;C=C(C)CC(=C)C(=C)C=O;BBJGWRYWOAAULQ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269763;MM269763;C=CC(=C)C(=C)CC(C)=O;JFKXFVNPMGYSIR-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269764;MM269764;C=CC(=C)C(=C)CC(=N)N;LTLMZTNPUKHHDA-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269765;MM269765;C=C(C=O)C(=C)CC(=N)N;PLACBZDORZMGBO-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269766;MM269766;C=C(C=O)C(=C)CC(N)=O;VOOUVDDXHXQJBJ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269767;MM269767;C=CC(=C)C(=C)CC(=C)F;SCEZICZTSOHEQM-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269768;MM269768;C=CC(=O)C(=C)CC(=N)N;NWIZBIDZGWJOMU-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269769;MM269769;C=CC(=O)C(=C)CC(N)=O;ZWNOIBBJBOVBIF-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269770;MM269770;C=C(CC(N)=O)C(=O)C=O;CSAQOMLRSQRMDL-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269771;MM269771;C=C(C)CC(=O)C(=C)C#N;IUSRXIUZHLURTB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269772;MM269772;C=CC(=C)C(=O)CC(=N)N;QDLYGZOGKCTAAT-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269773;MM269773;C=C(C#N)C(=O)CC(=N)N;IECREKRUTUSPRA-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269774;MM269774;C=CC(=C)C(=O)CC(N)=O;VSKTZPUMRIQVMY-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269775;MM269775;N#CC(CC#CCF)=NO;RSJJNRCJHHRBPG-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269776;MM269776;C=C(F)CC(=O)C(=O)C#N;KWGWHVBEBWCPEA-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269777;MM269777;C=C(NC(C)=N)C(=O)C#N;UJWVKUUMVACTNA-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269778;MM269778;C=CC(=O)C(=C)NC(=N)N;VNVJWJDMXJWPAL-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269779;MM269779;C=C(C#N)C(=N)NC(N)=O;CYKOIFYAJSFAGN-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269780;MM269780;CCCN=C(N)C(=O)NC;IXZFLLFXYVTGBL-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269781;MM269781;C=CC(=O)C(N)=NC(=N)N;PBIAZCOPMOLINV-UHFFFAOYSA-N;140.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269782;MM269782;N=C(N)N=C(N)C(=O)C=O;LPSLBGKPKPMPDP-UHFFFAOYSA-N;142.12;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269783;MM269783;C=C(C=O)C(=O)NC(C)=O;RZCADWMWKZYKAX-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269784;MM269784;C=C(C#N)C(=O)NC(=N)N;UNYHVVFUQAKYQJ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269785;MM269785;C=C(C=O)C(=O)NC(N)=O;ZVGIHGYXLQDZSB-UHFFFAOYSA-N;142.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269786;MM269786;C=C(C)OC(=O)C(=C)C=O;IBCXMMXSGZEJOI-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269787;MM269787;C=CC(=O)C(=O)OC(=C)C;SLZWOCBZPTVMIE-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269788;MM269788;C#CC(=O)C(=C)CC(C)=O;MFHYRVGFSOWWQV-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269789;MM269789;C#CC(=C)C(=O)CC(=C)C;ORYGJBMLBIZLDV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269790;MM269790;C#CC(=C)C(=O)CC(C)=O;YJMHAACXRICYLY-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269791;MM269791;C#CC(=C)C(=O)CC(=N)N;QOAAIJIQKIBHGZ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269792;MM269792;C#CC(=C)C(=O)CC(N)=O;ZYKWWLOBOYKAFM-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269793;MM269793;C#CC(=C)C(=O)CC(=C)F;RXIHYYXMUTUKFL-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269794;MM269794;C#CC(=O)C(=O)CC(=N)N;JAHFVRCKFQOTPA-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269795;MM269795;C#CC(=O)C(=O)CC(=C)F;ZMYYGUYBUJAKFN-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269796;MM269796;C#CC(=O)C(=C)NC(C)=N;DYFVTNOJUHGCCA-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269797;MM269797;C#CC(=C)C(=N)NC(=N)N;WWLZNAPUGNMTNR-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269798;MM269798;CC(C=O)N(C)N=CNO;YHHLOEVOERSTQT-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269799;MM269799;C#CC(=O)C(N)=NC(=N)N;CACRQRUJRRFECO-UHFFFAOYSA-N;138.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269800;MM269800;C#CC(=C)C(=O)NC(=N)N;ICJVCGXZCXKZEV-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269801;MM269801;C#CC(=C)C(=O)NC(N)=O;ALERCRFHUYSCNW-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269802;MM269802;C#CC(=C)C(=O)OC(=C)C;GJNKJJSNVBPZLX-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269803;MM269803;CC(=CF)C(C)CC(C)N;VSUHXKGUTAAYKX-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269804;MM269804;CC(C#N)=C(N)CNC=O;SVCVKTMTHCACLT-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269805;MM269805;CC(=CF)C(C)CC(F)F;VHPWUCPEUWHBRW-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269806;MM269806;CC(=CF)C(N)CC(C)C;VLHWZVHKALBKIP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269807;MM269807;CC=C(C)C(N)CC(C)N;XUSRERBNQVUKNN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269808;MM269808;CC=C(C)C(N)CC(C)O;CAODVHXLSYHIPE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269809;MM269809;CC=C(C)C(N)CC(C)F;LQJGRRPOQYGPHB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269810;MM269810;CC(=CF)C(N)CC(C)F;HNURJLSVUPXPCO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269811;MM269811;CC=C(C)C(N)CC(F)F;ULPZHDKOFGYHGL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269812;MM269812;CC(=CF)C(N)CC(F)F;QDWNYKYYTRXGSC-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269813;MM269813;CC(=CF)C(O)CC(C)N;HUNKDZNPVDIXQU-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269814;MM269814;CC=C(C)C(O)CC(C)F;UKCNUAANTDAPPV-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269815;MM269815;CC=C(C)C(F)CC(C)N;IXTAMUVNYSUVSE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269816;MM269816;CC(=CF)C(F)CC(C)N;AAUGSRZXQBKGCH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269817;MM269817;CC=C(C)C(F)CC(C)O;MYGUINIHSDFLGO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269818;MM269818;CC(=CF)C(F)CC(C)O;MCTHCYCFQWJQSF-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269819;MM269819;CC(=CF)C(F)CC(C)F;AXMJFTMFNIVSNE-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269820;MM269820;CC=C(C)C(F)CC(F)F;BRNDDRNFJIBMCN-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269821;MM269821;CC(=CF)C(F)CC(F)F;BNWSMXYPDKQHGO-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269822;MM269822;CC(N)CC(F)C(F)=CF;JKGGSSVCXBHWBG-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269823;MM269823;CC(=NO)C(C)CC(C)N;RXWQYRRCDWXASP-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269824;MM269824;CC(=NO)C(C)CC(C)O;CCMWFJPUONTPEO-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269825;MM269825;CC(=NO)C(C)CC(F)F;MHZLYSJUBGLKNF-UHFFFAOYSA-N;151.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269826;MM269826;CC(=NO)C(N)CC(C)C;RUKSJYGKAOVOJT-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269827;MM269827;CC=C(C)C(C)NC(C)C;JJJJNPWFGGXFSQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269828;MM269828;CC(=CF)C(C)NC(C)C;ACNDLYXJOIOBJF-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269829;MM269829;CC(=NO)C(C)NC(C)C;SYDTYFGSGRHTCV-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269830;MM269830;CC=C(C)C(N)CN(C)C;PTYVZUQNDFBSOJ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269831;MM269831;CCC(C)CON=CNO;WGBPEAYGMSFDJX-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269832;MM269832;CC(CF)CON=CNO;GXYAHIUIHMAHGZ-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269833;MM269833;CN=C(C)N(N)CC(F)F;YAHCSNODADHPMT-UHFFFAOYSA-N;151.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269834;MM269834;CC(=NO)N(O)CC(C)O;JLIOUOODDNVLTG-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269835;MM269835;CCC(F)CON=CNO;NQHDKNGISRLLLK-UHFFFAOYSA-N;150.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269836;MM269836;CC(=NO)N(O)CC(F)F;LFDHDTOVCKZOAR-UHFFFAOYSA-N;154.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269837;MM269837;CC=C(C)C(C)CC(=N)N;QRLTZUWYSDOKAO-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269838;MM269838;CC(=CF)C(C)CC(=N)N;YTKKZILOKWTSNC-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269839;MM269839;C#CC(C)CON=CNO;OKBCCHXRVTWYFJ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269840;MM269840;COC(=O)CON=CNO;WJFKFWDMQVXRSN-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269841;MM269841;CC(=CF)C(C)CC(=O)O;AHUZDYKVLSJOKK-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269842;MM269842;CC=C(F)C(C)CC(=N)N;FKWMRNLADKUALS-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269843;MM269843;CC(CC(=N)N)C(F)=CF;CGSAEHGZKYJJGN-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269844;MM269844;CC(CC(N)=O)C(F)=CF;YSPFJJZSDCMGOR-UHFFFAOYSA-N;149.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269845;MM269845;C=C(C)CC(N)C(C)=CF;ZHGMGCXJPWMIEN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269846;MM269846;CC(=CF)C(N)CC(=N)N;PWKDLLYOHDCMOX-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269847;MM269847;CC=C(C)C(N)CC(N)=O;AUBJTSNDIZOBPZ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269848;MM269848;CC(=CF)C(N)CC(N)=O;WXUSHAULJYXZRK-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269849;MM269849;C=C(F)CC(N)C(C)=CF;UXVDQGJBJCGANV-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269850;MM269850;CC=C(F)C(N)CC(=N)N;KEXXRLMJKHEECQ-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269851;MM269851;CC=C(C)C(O)CC(C)=O;YQQHPVSYEPOUAU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269852;MM269852;CC=C(F)C(O)CC(=N)N;VPJPVMHRIKFQLR-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269853;MM269853;CC=C(F)C(O)CC(N)=O;QSJCMDJKSVXEQH-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269854;MM269854;CC(=O)CC(F)C(C)=CF;VSLBVORSZDVBLL-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269855;MM269855;CC=C(C)C(F)CC(=N)N;FDAAQJYKDMIEGA-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269856;MM269856;CC(=CF)C(F)CC(=N)N;FTCFCLQBQTUVAN-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269857;MM269857;CC=C(C)C(F)CC(N)=O;USNMFXKTBOSLDR-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269858;MM269858;CC=C(C)C(F)CC(=O)O;ONDZVSQRHVAVBU-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269859;MM269859;CC(=CF)CON=CNO;FQLVARUEFWHLIL-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269860;MM269860;CC(=NO)C(C)CC(N)=O;CRUFEHRQVREQNG-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269861;MM269861;C=C(C)CC(O)C(C)=NO;YVHCCBLUUGTMIS-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269862;MM269862;O=CCN=c1[nH]c(=O)[nH]o1;GTVQHIOGQHUSFV-UHFFFAOYSA-N;143.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269863;MM269863;CC=C(F)CON=CNO;OVXLRKHEEFOHQD-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269864;MM269864;CC=C(C)C(C)NC(C)=N;ZBXQVPWUASOCDB-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269865;MM269865;CC(=N)NC(C)C(C)=CF;MWOLJKORDGBZAM-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269866;MM269866;CC(CON=CNO)=NN;YCABUGSAONSVTE-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269867;MM269867;CC(=O)NC(C)C(C)=CF;GCLLKMKDQNNLTC-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269868;MM269868;CC=C(C)C(C)NC(=N)N;HXKVZAHREFCODP-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269869;MM269869;CC=C(C)C(C)NC(N)=O;YNQACWRBOCHDTO-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269870;MM269870;CC=C(F)C(C)NC(C)=N;NAYXUWCFOINLLS-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269871;MM269871;CC(=O)NC(C)C(C)=NO;CLRLWKHTXSZYLK-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269872;MM269872;CC(=O)OC(C)C(C)=CF;YNBUPHOTFUKPAE-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269873;MM269873;CC=C(C)C(C)OC(=N)N;PRVWPGSBUSSOMA-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269874;MM269874;CC(=CF)C(C)OC(=N)N;HYMRPJRUWQWKIZ-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269875;MM269875;CC=C(C)C(C)OC(N)=O;MAPQHGUGFCBIPA-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269876;MM269876;CC(=O)OC(C)C(C)=NN;XXDXSTCMINEYDL-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269877;MM269877;CC(=NN)C(C)OC(=N)N;WIKNCIVVVJLRNF-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269878;MM269878;CC(=NO)N(C)CC(=N)N;JJVYHUSMJMZNGD-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269879;MM269879;C=CCN=c1[nH]c(=O)[nH]o1;JTKQPKAIVRWYJH-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269880;MM269880;CC(=NO)N(N)CC(=N)N;ZDMYLRKUWGOAIO-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269881;MM269881;CCC(C)C=NN=CNO;LZOWLLWMWNSBDH-UHFFFAOYSA-N;143.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269882;MM269882;CC(C)N=c1[nH]c(=O)[nH]o1;PXDKOPSZIRIJLL-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269883;MM269883;C=C(F)CN(N)C(C)=NC;URQFLYOXFDNPRJ-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269884;MM269884;CCN(N)C=NN=CNO;UBEFUDRQDOEDFZ-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269885;MM269885;CN=C(C)N(O)CC(=N)N;PKQKRJDDISPOMU-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269886;MM269886;CC(=NO)N(O)CC(=N)N;CFWFHFHFFRNHGE-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269887;MM269887;CNN(C)C=NN=CNO;KCEBCDXRXHTPAF-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269888;MM269888;CC(=NO)N(O)CC(N)=O;WMAGTEUBUPYGPS-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269889;MM269889;CCn1cc(O)c(F)n1;FJVCLZAHKRTQJA-UHFFFAOYSA-N;130.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269890;MM269890;C=Nn1oc(=NO)[nH]c1=O;ZPWTXRBTRDXXCJ-UHFFFAOYSA-N;144.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269891;MM269891;CON(C)C=NN=CNO;VREBWKDYRVDNDO-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269892;MM269892;C=C(F)CN(O)C(C)=NO;CHVIXIRYIGCWLC-UHFFFAOYSA-N;148.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269893;MM269893;CC(=N)NN(C)C(C)=NO;FMQICWBEUZZUKJ-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269894;MM269894;CC(=O)NN(C)C(C)=NO;AIDOXXZWXKFOQI-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269895;MM269895;CN=C(C)N(C)NC(=N)N;DZJZTQRUXTWSNQ-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269896;MM269896;CC(=NN)N(C)NC(=N)N;OQTQMPAJIBHGSH-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269897;MM269897;CC(=NO)N(C)NC(=N)N;FNOOLMJIMKHWLZ-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269898;MM269898;CN=C(C)N(C)NC(N)=O;QLCSGWIQGPYJKK-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269899;MM269899;C=CC(C)C=NN=CNO;DKFZUPAQXAICAA-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269900;MM269900;C=C(CC(C)N)C(C)=CF;FGQIHBODZTXJHK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269901;MM269901;C=NN(C)C=NN=CNO;FFRYKQVXLHIOKU-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269902;MM269902;C=C(CC(F)F)C(C)=CC;MDTOZQKHHFXSKZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269903;MM269903;C=C(CC(C)N)C(F)=CC;GKJHYEPIOOTQHY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269904;MM269904;CC(=CF)C(=O)CC(C)C;GIYXQQYRPLWMLP-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269905;MM269905;CC=C(C)C(=O)CC(C)O;YOFBQOSBLNMIMZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269906;MM269906;CC(=CN)C(=O)CC(C)O;NQIAROQSOPMMDC-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269907;MM269907;CC=C(C)C(=O)CC(C)F;AFHZGMVEXBEIQR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269908;MM269908;CC(=CN)C(=O)CC(C)F;OVIOPCJNZICCLI-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269909;MM269909;CC(=CF)C(=O)CC(C)F;NLGYABIPLQOEMQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269910;MM269910;CC(=CN)C(=O)CC(F)F;USHRGLQZJHDXII-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269911;MM269911;CC(=CF)C(=O)CC(F)F;UEADQKGAMCIUMT-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269912;MM269912;CC(C)CC(=O)C(F)=CN;NJMVEXKWDWEWKQ-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269913;MM269913;CC=C(F)C(=O)CC(C)O;ZDOFOJFOBDVWHX-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269914;MM269914;C=C(CC(C)C)C(C)=NN;DUDUHKMRTJJOAE-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269915;MM269915;C#CC(C)C=NN=CNO;IZLNKBXPPZFVFT-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269916;MM269916;CC=C(C)C(=N)NC(C)C;YRLBNGJIWXXGHL-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269917;MM269917;CC(=CN)C(=O)OC(C)C;DMWJQOIOLYBTTD-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269918;MM269918;CC(C)OC(=O)C(F)=CN;LFEXIJMDAJNXJS-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269919;MM269919;C=C(C=NN=CNO)CC;ZBTULDAMEFDUSS-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269920;MM269920;C=C(CN(C)C)C(C)=NO;QSXXHSGDZNGUKS-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269921;MM269921;CC(=CF)C(=N)NN(C)C;WXKGSEQCDZEVLC-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269922;MM269922;C=C(C)CC(=C)C(C)=CF;GDPHABSDJKRRCW-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269923;MM269923;C=C(CC(=N)N)C(C)=CF;UODLFZCYYLXADX-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269924;MM269924;CC=C(C)C=NN=CNO;CXCKPBBWMGNQPQ-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269925;MM269925;C=C(CC(N)=O)C(C)=CF;FSTYIPHQBRUJNG-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269926;MM269926;C=C(C)CC(=O)C(C)=CN;UKTUMEDMUUVDJG-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269927;MM269927;C=C(C)CC(=O)C(C)=CF;OMKKOWYTHDBYPE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269928;MM269928;CC(=CF)C(=O)CC(=N)N;XFRRZTXXJMECRU-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269929;MM269929;C=C(F)CC(=O)C(C)=CF;MQJQIQIXDJEBHI-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269930;MM269930;C=C(C)CC(=O)C(F)=CN;IEYATQYHCJWCHU-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269931;MM269931;C=C(C)CC(=O)C(F)=CF;DSAXAIRYCULSSR-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269932;MM269932;C=C(C)CC(=C)C(C)=NN;SGWOBCJWZYBWNI-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269933;MM269933;C=C(NC(=N)N)C(C)=CC;GALATJNALGOLHG-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269934;MM269934;C=C(NC(N)=O)C(C)=CC;SYGFSQQLJNUNSJ-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269935;MM269935;CC=C(C)C(=N)NC(C)=N;KCQKLOAYGLDBSU-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269936;MM269936;CC=C(C)C(=N)NC(=N)N;SFMXTXNIWPUYDB-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269937;MM269937;CC=C(F)C(=N)NC(C)=O;XKECXPFZQJTTHG-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269938;MM269938;CC=C(F)C(=N)NC(=N)N;SHNDESZJVTWNAQ-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269939;MM269939;N=C(NC(N)=O)C(F)=CN;YMCKYPDSPFLLDD-UHFFFAOYSA-N;146.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269940;MM269940;CC(=CN)C(=O)NC(=N)N;YWFQYFJAYGXAGZ-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269941;MM269941;CC(=N)NC(=O)C(F)=CF;PWTHFZGHOHNIDS-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269942;MM269942;CC(=O)NC(=O)C(F)=CN;VNIFTLIKIKCIGY-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269943;MM269943;CC=C(F)C(=O)NC(N)=O;IDSVGYHFJITZTL-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269944;MM269944;NC=C(F)C(=O)NC(N)=O;AJIFUKULTCOPIX-UHFFFAOYSA-N;147.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269945;MM269945;NC(=O)NC(=O)C(F)=CF;CYIJXZHXKAWTCA-UHFFFAOYSA-N;150.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269946;MM269946;CC(=N)NC(=O)C(C)=NO;PGTZQTXOZRMNSV-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269947;MM269947;CC(=NN)C(=O)NC(=N)N;CXLIULIHUIYUFO-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269948;MM269948;CC(=NN)C(=O)NC(N)=O;FJFMWTVSTOBJOS-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269949;MM269949;C=C(C)OC(=O)C(C)=CN;DMRQFQMWKTYURS-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269950;MM269950;C=C(C)OC(=O)C(F)=CN;JUKSONBUTJZERB-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269951;MM269951;C=C(C)OC(=C)C(C)=NO;VFRCZJHUVMSLCV-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269952;MM269952;C=C(OC(C)=O)C(C)=NO;DBPQCQOMOIGHBU-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269953;MM269953;CC(C=NN=CNO)=CN;AMWYFVCTGHNELC-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269954;MM269954;CCC(C)C(C)C=C(C)C;LIVKECXWODORMH-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269955;MM269955;CC(C=C(F)F)C(C)CN;TZQPHQDQMBRQQH-UHFFFAOYSA-N;149.18;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269956;MM269956;CCC(N)C(C)C=C(C)C;MLHYVTVWJBEDFB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269957;MM269957;CCC(N)C(C)C=C(C)F;FDGFCSPYZXDCPU-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269958;MM269958;CC(F)=CC(C)C(N)CN;QTMOCWKDOPQWPJ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269959;MM269959;CC(F)=CC(C)C(N)CF;RDZVSMQQPKDZRM-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269960;MM269960;CCC(N)C(C)C=C(F)F;CIHXCBDCBFMXTR-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269961;MM269961;CC(C)=CC(C)C(O)CN;SXJKPRYUNZZEAN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269962;MM269962;CCC(O)C(C)C=C(C)F;UUTTYAAQQFFGRI-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269963;MM269963;CC(C)=CC(C)C(F)CN;XDEHUDKCFCPPOD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269964;MM269964;CC(C=C(F)F)C(F)CN;QVGPZWDQULFJPJ-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269965;MM269965;CC(C)=CC(N)C(C)CO;OFHBEHUKSLOLBS-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269966;MM269966;CC(C)=CC(N)C(C)CF;TXNHAHKXVWQLTR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269967;MM269967;CCC(C)C(N)C=C(C)F;PTERPTAMCSTSBF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269968;MM269968;CC(CO)C(N)C=C(F)F;YRYVPRHZMWVTDJ-UHFFFAOYSA-N;151.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269969;MM269969;CC(F)=CC(N)C(N)CF;USZSWJOQRNWNLC-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269970;MM269970;CC(F)=CC(N)C(O)CF;XIEDAMLDJUIMID-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269971;MM269971;CCC(F)C(N)C=C(C)C;JXJPVYOOFJHTCY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269972;MM269972;CCC(F)C(N)C=C(C)F;RWTPLWJBZUKJFT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269973;MM269973;CC(F)=CC(N)C(F)CN;SBWRBLMTGDVTCF-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269974;MM269974;CCC(C)C(O)C=C(C)F;LCBZOVJQSBHDGG-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269975;MM269975;CC(CN)C(O)C=C(F)F;NFYYLSISCMUEAZ-UHFFFAOYSA-N;151.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269976;MM269976;CC(F)=CC(O)C(N)CO;ORNPYXATJPFXNH-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269977;MM269977;CC(F)=CC(O)C(N)CF;AXYSWIAHZDYPIP-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269978;MM269978;CCC(O)C(O)C=C(C)F;CDEQHEZBNJTRGJ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269979;MM269979;CC(F)=CC(O)C(O)CN;JNVONKHQGHYSSW-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269980;MM269980;CC(F)=CC(O)C(O)CO;XSHGYICTMBMOSK-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269981;MM269981;CC(F)=CC(O)C(O)CF;PVXRWVUOFVLKRA-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269982;MM269982;OCC(O)C(O)C=C(F)F;FUVALWFOQROZAV-UHFFFAOYSA-N;154.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269983;MM269983;OC(C=C(F)F)C(O)CF;GNYWRPACZGXZMS-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269984;MM269984;CC(F)=CC(F)C(C)CN;BQAZEZQFJPFWRS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269985;MM269985;CC(CN)C(F)C=C(F)F;CIIUBRZMPRMVGW-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269986;MM269986;CC(CO)C(F)C=C(F)F;OOHFIPOGWMDAFD-UHFFFAOYSA-N;154.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269987;MM269987;CCC(N)C(F)C=C(C)C;BFZKDRVJLTWQAP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269988;MM269988;CC(C)=CC(F)C(N)CN;OXTVVIQHZHHZNE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269989;MM269989;CC(F)=CC(F)C(N)CN;HRBONMQWWGLJBW-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269990;MM269990;CC(F)=CC(F)C(N)CO;HMVBSBVFDRYHRE-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269991;MM269991;CCC(N)C(F)C=C(F)F;XJGDAXNIJHAMGG-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269992;MM269992;NCC(N)C(F)C=C(F)F;IGURJIAKIRKUBJ-UHFFFAOYSA-N;154.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269993;MM269993;NCC(O)C(F)C=C(F)F;JIQDMIDUQPKSEI-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269994;MM269994;OCC(O)C(F)C=C(F)F;MLCPZKYSOFZNBA-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269995;MM269995;CC(C)=CC(F)C(F)CN;JNVZRCODZMCTAI-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269996;MM269996;CNC(C)C(C)C=C(C)C;HESXXPTXVPNGOU-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269997;MM269997;CNC(C)C(C)C=C(C)F;MJVIUDBZTIYLAT-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269998;MM269998;CNC(C)C(N)C=C(F)F;GOODKHUZOXDICY-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM269999;MM269999;CNC(C)C(F)C=C(C)F;FBWPPWVNRIDXKM-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270000;MM270000;CNC(C)C(F)C=C(F)F;SCDHJWMYYOWLSJ-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270001;MM270001;COC(C)C(O)C=C(C)C;XIHDBZLNBRHBLD-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270002;MM270002;COC(C)C(O)C=C(C)F;LDNCKEAVCPWDRT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270003;MM270003;CCN(C)C(C)C=C(C)C;BHPFJCLRGHNDFO-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270004;MM270004;CC(F)=CC(C)C(C)C=O;QRWOIYCOVAVVMV-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270005;MM270005;C=CC(C)C(C)C=C(F)F;MIUJAUYTARLJFP-UHFFFAOYSA-N;146.18;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270006;MM270006;C=CC(N)C(C)C=C(F)F;CJZPQGSRHKMLPJ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270007;MM270007;C=CC(F)C(C)C=C(C)C;KJIOMKYCXZNLAJ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270008;MM270008;CC(C)=CC(C)C(F)C=O;VBGAMMZHUKSWPC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270009;MM270009;C=CC(C)C(N)C=C(C)C;ITUIHYQVUUNAOY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270010;MM270010;C=CC(C)C(N)C=C(C)F;IFMZPXDSPYGXNY-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270011;MM270011;C=CC(C)C(N)C=C(F)F;LHUSCUOXFDWWJN-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270012;MM270012;C=CC(N)C(N)C=C(C)F;UYCQDRDFVCIZCZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270013;MM270013;C=CC(N)C(N)C=C(F)F;MLMNJPGHFCPAOW-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270014;MM270014;C=CC(O)C(N)C=C(C)C;FYFWMDNHFIZVIJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270015;MM270015;CC(C)=CC(O)C(C)C#N;ZTKKBUKILOMIHH-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270016;MM270016;CC(F)=CC(O)C(C)C=O;VKBBKGTWACSYRL-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270017;MM270017;CC(F)=CC(O)C(C)C#N;KHNGJBGRJSNDIH-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270018;MM270018;CC(C#N)C(O)C=C(F)F;BFHMDFPVTRXZNV-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270019;MM270019;C=CC(N)C(O)C=C(C)C;KAPHEKFVZKRGQA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270020;MM270020;CC(F)=CC(O)C(O)C=O;KQDGZZZHQPFVQT-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270021;MM270021;N#CC(O)C(O)C=C(F)F;LNAKWCQCFSSFMU-UHFFFAOYSA-N;149.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270022;MM270022;C=CC(C)C(F)C=C(F)F;GAPXXMDNJKOIRD-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270023;MM270023;C=CC(N)C(F)C=C(F)F;XNXCKCIWHMLJPH-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270024;MM270024;CC(F)=CC(F)C(O)C=O;FLIMCEVXMMFMSP-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270025;MM270025;CC(F)=CC(C)N(N)C=O;RMJSUNZXAJYXPG-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270026;MM270026;C=NN(C)C(C)C=C(C)C;HECMHNTYVMZIHS-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270027;MM270027;C=NN(C)C(C)C=C(F)F;AJGCNLBULTUDIX-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270028;MM270028;CC(C)=NN(C)C(C)C#N;TWTMZLWVSLSNBQ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270029;MM270029;C#CC(C)C(C)C=C(F)F;ACHQOVOBIGVEIC-UHFFFAOYSA-N;144.16;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270030;MM270030;C#CC(N)C(C)C=C(C)C;HZNDQUXVNDSXKM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270031;MM270031;C#CC(N)C(C)C=C(C)F;XBOJXSHFIAJGON-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270032;MM270032;C#CC(O)C(C)C=C(C)C;GCLALDYHEFDUJB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270033;MM270033;C#CC(O)C(C)C=C(F)F;ZIZHWKMTACYQST-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270034;MM270034;C#CC(N)C(N)C=C(C)F;OWZYIWLBKJMTFX-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270035;MM270035;C#CC(O)C(N)C=C(F)F;UNMUIMYXIRFDTL-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270036;MM270036;C#CC(N)C(O)C=C(C)F;YYQHZHZMFROZOA-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270037;MM270037;C#CC(N)C(O)C=C(F)F;BFYOFBSFRRZBRI-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270038;MM270038;C#CC(O)C(O)C=C(F)F;NKMWTFUYUCIEMO-UHFFFAOYSA-N;148.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270039;MM270039;C#CC(C)C(F)C=C(F)F;DPBCGTWPGWSQLC-UHFFFAOYSA-N;148.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270040;MM270040;C#CC(C)N(C)N=C(C)C;WPIBJJWDJATGKO-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270041;MM270041;C=C(CN)C(C)C=C(F)F;FHEDMJKYXZFIHF-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270042;MM270042;CCC(=O)C(C)C=C(C)C;OPTXQXHMAWDQFF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270043;MM270043;CCC(=O)C(C)C=C(F)F;KKNPNZIFCXKPHP-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270044;MM270044;CC(C=C(F)F)C(=O)CF;GHRMCSGUMIJGQE-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270045;MM270045;C=C(CC)C(N)C=C(C)C;BBXWWTOFYVYYED-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270046;MM270046;C=C(CN)C(N)C=C(C)C;RHGOFTJKYMTEGE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270047;MM270047;C=C(CN)C(N)C=C(C)F;LHPNBKDRBJJMSR-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270048;MM270048;C=C(CN)C(N)C=C(F)F;FVWKCJHPSMVYBS-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270049;MM270049;C=C(CO)C(N)C=C(F)F;DPXGOARAYMZASM-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270050;MM270050;C=C(CN)C(O)C=C(C)F;BMHRQOPSHSINSF-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270051;MM270051;C=C(CO)C(O)C=C(C)F;XXLJYGGHRRGTJQ-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270052;MM270052;CC(F)=CC(O)C(=O)CO;NOACBNFEGWMUIJ-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270053;MM270053;C=C(CN)C(F)C=C(F)F;IFBNXUBJOHHKJL-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270054;MM270054;CCC(=O)C(F)C=C(C)C;IWAJBXAEVLQWPH-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270055;MM270055;CNC(=N)C(N)C=C(C)F;MYYOBBBJCFOYPJ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270056;MM270056;CNC(=N)C(O)C=C(C)C;BYUDXOCOKZQGNF-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270057;MM270057;CC(F)=CC(O)C(=N)NN;VEIKQHHFWZATEI-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270058;MM270058;CNC(=N)C(O)C=C(F)F;SSIOYWBIDJUFHF-UHFFFAOYSA-N;150.13;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270059;MM270059;CNC(=O)C(O)C=C(C)F;MVBFESXACGJOTD-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270060;MM270060;CC(F)=CC(O)C(=O)NN;MDLZZDKKSGRZSB-UHFFFAOYSA-N;148.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270061;MM270061;C=NN(C)C(C=O)CC=O;SDRSBXRCUMOADX-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270062;MM270062;CC(C)=CC(F)C(=O)NN;LDGAXCSGBSVEJX-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270063;MM270063;CC(C)=CC(F)C(=O)NO;BGOXEKCXYXBYES-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270064;MM270064;CC(F)=CC(F)C(=O)NN;JLVLUZVCIKZJCO-UHFFFAOYSA-N;150.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270065;MM270065;CC(F)=CC(F)C(=O)NO;JXHNLLVJCHSEOY-UHFFFAOYSA-N;151.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270066;MM270066;C=C(OC)C(O)C=C(C)C;PXXMICRAFCKFPF-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270067;MM270067;CC(F)=CN(C)C(=O)CF;RSYHPIVWIFBISC-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270068;MM270068;C=NNC(C=O)C(=C)C#N;QGHTVOGWHSPQNT-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270069;MM270069;CC#CC(=NN)C(C)CO;ZOWYNXNCELESAV-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270070;MM270070;C#CCC(C=NNC)CO;DFKJNHWTLVGSGS-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270071;MM270071;CNC=C(C#N)CNC=O;STOTXGZYGYGYLW-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270072;MM270072;C=NN(C(=C)CC)C(N)=O;OSEUUXTZASHDPZ-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270073;MM270073;CNC(=N)N(C)C=C(C)F;GEVGHJSEUFTCTR-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270074;MM270074;CN(C=C(F)F)C(=N)NN;UGMYJENCUGNVFA-UHFFFAOYSA-N;150.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270075;MM270075;CNC(=O)N(C)C=C(C)C;BJFHUEPYGOVQPW-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270076;MM270076;CNC(=O)N(C)C=C(C)F;LVJIHTHWWOQLCN-UHFFFAOYSA-N;146.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270077;MM270077;CN(C=C(F)F)C(=O)NN;GHWYTZWKLLSWHN-UHFFFAOYSA-N;151.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270078;MM270078;CC(F)=CN(N)C(=N)NN;WUAJSEQIHLJMMF-UHFFFAOYSA-N;147.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270079;MM270079;CNC(=N)N(N)C=C(F)F;IUNJHMDKJLIGGL-UHFFFAOYSA-N;150.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270080;MM270080;CC(N)=C(C#N)CNC=O;NEVYRBQXAPEVRY-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270081;MM270081;CC(F)=CN(N)C(=O)NO;ZPKVHNXISHVEGJ-UHFFFAOYSA-N;149.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270082;MM270082;NNC(=O)N(N)C=C(F)F;ASFNRNCACSHFCA-UHFFFAOYSA-N;152.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270083;MM270083;CNC(=N)N(O)C=C(C)C;HMFNXACUCBHHKA-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270084;MM270084;COC(=O)N(C)C=C(C)F;SEMZDDSEFMJKJO-UHFFFAOYSA-N;147.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270085;MM270085;CC(C)=NN(C)C(=N)CF;BWBRINIOYHVRCS-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270086;MM270086;C=CC(CO)C(C#N)NC;AVAJEEYCTXROFZ-UHFFFAOYSA-N;140.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270087;MM270087;C=CC(=C)C(C)C=C(C)C;LGNKRGAHDPWVCW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270088;MM270088;C=C(C=O)C(C)C=C(C)F;BVWAWHCYIULAMJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270089;MM270089;C=CC(=C)C(C)C=C(F)F;VMZRYHUTYCOHCA-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270090;MM270090;C=CC(=O)C(C)C=C(C)F;UTQBPSUFDXNODM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270091;MM270091;C=CC(=O)C(C)C=C(F)F;MDZDCOFEDFANIZ-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270092;MM270092;CC(C=C(F)F)C(=O)C#N;DUEAQFPYSWSGHH-UHFFFAOYSA-N;145.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270093;MM270093;C=CC(=C)C(N)C=C(F)F;JXEAPDIANNQJFV-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270094;MM270094;N#CCNCC(CO)CF;LKRVDYPUXDZWJO-UHFFFAOYSA-N;146.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270095;MM270095;C=C(C=O)C(O)C=C(C)F;VYKNMQGPTDKGHH-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270096;MM270096;CC(C)=CC(O)C(=O)C#N;MSWTYYIVGITGSE-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270097;MM270097;C=CC(=O)C(F)C=C(C)C;FCLIYMYVYWHUNT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270098;MM270098;CC(F)=CN(C)C(=N)C#N;WNCSJSLNSOGFLL-UHFFFAOYSA-N;141.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270099;MM270099;CC(C)=CN(C)C(=O)C=O;SZNSYVCAISMSRJ-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270100;MM270100;CC(C)=CN(C)C(=O)C#N;UPRMVMLGKXZNAO-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270101;MM270101;CC(F)=CN(C)C(=O)C#N;KALJSXYSZDXWLD-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270102;MM270102;CN(C=C(F)F)C(=O)C=O;DZGVLXCPLHIXSV-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270103;MM270103;CCC(CC)ON=CNO;XOWQMQYQYRWNOF-UHFFFAOYSA-N;146.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270104;MM270104;C=CC(CC)ON=CNO;LGVFRRPQGQGZIW-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270105;MM270105;C=CC(=O)N(C)N=C(C)C;STWBNXRXLVENFV-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270106;MM270106;CC(C)=NN(C)C(=O)C=O;MNYYUVCFENXXCU-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270107;MM270107;C#CC(=O)C(C)C=C(F)F;VRJNQJGZZAGSMR-UHFFFAOYSA-N;144.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270108;MM270108;C#CC(=C)C(O)C=C(C)F;JHJSBGHBFOEKOH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270109;MM270109;C#CC(=O)N(C)C=C(C)F;LPWBRDFNWCRWFU-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270110;MM270110;C#CC(=O)N(N)C=C(C)F;DBVYTSRZPUEEDE-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270111;MM270111;C#CC(=O)N(N)C=C(F)F;VQJDKQYKTIHARE-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270112;MM270112;C#CC(CC)ON=CNO;OPKRUJXJQUBNQH-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270113;MM270113;C#CC(=N)N(C)N=C(C)C;GMMWNVULGYWPGA-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270114;MM270114;C#CC(=O)N(C)N=C(C)C;VXIIYJMAFIPNFI-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270115;MM270115;C=C(C=C(F)F)C(C)CN;PWTDGRXRZAQHNS-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270116;MM270116;C=C(C=C(C)C)C(N)CN;GAWGHIKHNWKJBM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270117;MM270117;C=C(C=C(C)F)C(N)CN;KDAFUCRMFJBOFG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270118;MM270118;C=C(C=C(F)F)C(N)CN;RAILQIGMZJXRDW-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270119;MM270119;C=C(C=C(F)F)C(N)CO;DTVAZXVBEQXPJT-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270120;MM270120;C=C(C=C(F)F)C(N)CF;SIDIYCINOWJHDP-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270121;MM270121;C=C(C=C(C)F)C(O)CO;SIJMBRDYPVWAQR-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270122;MM270122;C=C(C=C(F)F)C(F)CN;WJVVZBAFFQBHTQ-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270123;MM270123;CC(C)=CC(=O)C(C)CF;DMQFOOICXGEWSA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270124;MM270124;CC(F)=CC(=O)C(C)CO;BKTJOMLMOBCNEO-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270125;MM270125;CC(F)=CC(=O)C(C)CF;CBOCHUABHKPRKA-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270126;MM270126;CCC(C)C(=O)C=C(N)N;PGKNBBZHOKBZKN-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270127;MM270127;CCC(=NN=CNO)NN;QOXYTZXKQSJPAR-UHFFFAOYSA-N;145.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270128;MM270128;CC(C)=CC(=O)C(O)CF;MSTDORJZFQSSFP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270129;MM270129;CC(F)=CC(=O)C(O)CO;URMYFMDXTZCCFS-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270130;MM270130;NC(N)=CC(=O)C(O)CO;QTEXUEOSKNYYPW-UHFFFAOYSA-N;146.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270131;MM270131;CC(C)=CC(=O)C(F)CO;QOZNYCIXBHMBDD-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270132;MM270132;CC(C)=CC(=O)C(F)CF;QEDAOCZRTOJLMC-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270133;MM270133;NC(N)=CC(=O)C(F)CO;RCSYPXMTJPLSAI-UHFFFAOYSA-N;148.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270134;MM270134;C=C(C=C(C)C)C(C)NC;FQFNYSNBJUNDTM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270135;MM270135;C=C(C=C(C)F)C(C)NC;AOLADTXGLNKXAM-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270136;MM270136;C=C(C=C(F)F)C(C)NC;HNHAXIVBTLLGDL-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270137;MM270137;CNC(C)C(=O)C=C(C)N;KRKRBMJSEURRPX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270138;MM270138;CNC(C)C(=O)C=C(C)F;WWEQIVDRKGKENV-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270139;MM270139;CCN(C)C(=N)C=C(F)F;XJUMNDLPDBWPCZ-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270140;MM270140;CCN(N)C(=N)C=C(C)F;CHXCJVOUUWBAFC-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270141;MM270141;CCN(O)C(=O)C=C(C)N;IXZCIWLCITZQBM-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270142;MM270142;CNN(C)C(=N)C=C(C)F;ARZSUFITVCJAPQ-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270143;MM270143;CNN(C)C(=O)C=C(C)C;VZLJIRKXVUIUOP-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270144;MM270144;CON(C)C(=N)C=C(N)N;YEECWLQDVXUGIE-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270145;MM270145;CON(C)C(=O)C=C(C)N;XQYTWUQLHMTNTC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270146;MM270146;CON(C)C(=O)C=C(C)F;OBNXNBRDQDFZCM-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270147;MM270147;CON(C)C(=O)C=C(N)N;PTBGEPVPTQJHMB-UHFFFAOYSA-N;145.16;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270148;MM270148;C=C(C=C(C)F)C(C)C=O;DBLXMBSSSXNAIF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270149;MM270149;C=C(C=C(F)F)C(C)C=O;JJIJRBXVRIJOQS-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270150;MM270150;C=CC(N)C(=C)C=C(C)F;DRGKNQLOPCVIAA-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270151;MM270151;C=C(C=C(C)F)C(O)C=O;LZFZLXHQYKIBLM-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270152;MM270152;C=C(C=C(C)F)C(O)C#N;UXRWRWRCVYBIIN-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270153;MM270153;C=CC(O)C(=C)C=C(F)F;KLOOEARHOPHCHM-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270154;MM270154;C=CC(C)C(=O)C=C(C)C;BRARMRIAVITVBJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270155;MM270155;C=CC(C)C(=O)C=C(C)N;NHFZYOALICCLCK-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270156;MM270156;C=CC(C)C(=O)C=C(C)F;KGPIBMWCURFUCK-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270157;MM270157;CC(F)=CC(=O)C(C)C=O;VYWWBTFBBDGSAP-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270158;MM270158;C=CC(C)C(=O)C=C(N)N;YZNRZXZHOSJYRO-UHFFFAOYSA-N;140.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270159;MM270159;C=CC(C)C(=O)C=C(F)F;MACOZMDYPYSAQH-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270160;MM270160;N#CC(O)C(=O)C=C(N)N;IPBYGYNTCGXIKN-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270161;MM270161;C=CC(O)C(=O)C=C(F)F;VKNRYNNVRUKFSV-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270162;MM270162;N#CC(F)C(=O)C=C(N)N;HZOCXNOOIXQHHY-UHFFFAOYSA-N;143.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270163;MM270163;C=C(C=C(C)C)N(C)C=O;MDKVYOIHPJWTHK-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270164;MM270164;C=C(C=C(C)F)N(C)C=N;MPUBNKVPKSCGIJ-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270165;MM270165;C=C(C=C(C)F)N(C)C=O;NTDNHLZTHTVUKS-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270166;MM270166;C=C(C=C(C)F)N(N)C=N;CAHXOQDPMIHFEP-UHFFFAOYSA-N;143.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270167;MM270167;C=C(C=C(C)F)N(N)C=O;QRHTUPUOKJWLJQ-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270168;MM270168;C=C(C=C(C)F)N(O)C=O;SKFQNANXQSNFRB-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270169;MM270169;CC(N)=CC(=N)N(C)C=O;CUISTPQQFNSBBD-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270170;MM270170;C=CN(C)C(=N)C=C(C)F;WBYHQYUHZAUFNF-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270171;MM270171;CN(C=N)C(=N)C=C(N)N;CWGLJLJXMMVOSF-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270172;MM270172;CN(C=O)C(=N)C=C(N)N;WSNDDKNSMHVBLZ-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270173;MM270173;CN(C=O)C(=N)C=C(F)F;BDWUVHLSPJWPIC-UHFFFAOYSA-N;148.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270174;MM270174;CC(C)=CC(=N)N(N)C=N;SOZBCSOAGUOSNP-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270175;MM270175;CC(C)=CC(=N)N(N)C=O;DAWKJBKVKNMBIZ-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270176;MM270176;CC(N)=CC(=N)N(N)C=N;TYDMHXXKEIRVEW-UHFFFAOYSA-N;141.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270177;MM270177;CC(N)=CC(=N)N(N)C=O;PIHHFEYHFKXBGJ-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270178;MM270178;C=CN(N)C(=N)C=C(N)N;KXXRESYKLCWMRE-UHFFFAOYSA-N;141.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270179;MM270179;N=C(C=C(N)N)N(N)C=O;QKDSCEWJXQMPMN-UHFFFAOYSA-N;143.15;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270180;MM270180;C=CN(O)C(=N)C=C(C)C;HTQFKCUCJYZNSU-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270181;MM270181;C=CN(O)C(=N)C=C(C)N;FCOCQJFRMKTHSS-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270182;MM270182;C=CN(O)C(=N)C=C(N)N;BJRAYBIQXAWFJZ-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270183;MM270183;CN=C(NN)ON=CNO;NAFLTPFWKSPEMA-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270184;MM270184;CC(C)=CC(=O)N(C)C=N;PPOMSBSOTKWAOP-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270185;MM270185;CN=C(C=O)NN=CNO;OGMDCXSHXOLCJW-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270186;MM270186;C=CN(C)C(=O)C=C(C)F;LQDBMKKHZYGSTQ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270187;MM270187;CN(C=N)C(=O)C=C(N)N;JPHDOJKVVLTOJJ-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270188;MM270188;CN(C=O)C(=O)C=C(N)N;JYOVYKYXCKKIBL-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270189;MM270189;CN(C=N)C(=O)C=C(F)F;IEZOTNNGHLJYMO-UHFFFAOYSA-N;148.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270190;MM270190;CN(C=O)C(=O)C=C(F)F;AZDIIKWDRXQSKH-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270191;MM270191;C=CN(N)C(=O)C=C(C)C;JKWGRUCGYBSOQD-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270192;MM270192;C=CC(=NN=CNO)OC;DRYSNAFGCHDVQU-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270193;MM270193;C#CC(CC)=NN=CNO;WDILHALZSIJTMV-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270194;MM270194;CC(N)=CC(=O)N(N)C=O;LQWHHXQKHGFSSA-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270195;MM270195;CC(F)=CC(=O)N(N)C=N;GCPYBRKCSJJIEC-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270196;MM270196;CC(F)=CC(=O)N(N)C=O;HGERICPPWRKFIO-UHFFFAOYSA-N;146.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270197;MM270197;C=CN(N)C(=O)C=C(N)N;IYHFDNQALADJLY-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270198;MM270198;N=CN(N)C(=O)C=C(N)N;WUVODKNLCZWSTP-UHFFFAOYSA-N;143.15;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270199;MM270199;NC(N)=CC(=O)N(N)C=O;LEPLMWCTTAIFKV-UHFFFAOYSA-N;144.13;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270200;MM270200;NN(C=O)C(=O)C=C(F)F;WYZWMJPLVVWZLR-UHFFFAOYSA-N;150.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270201;MM270201;C=CN(O)C(=O)C=C(N)N;YSGUBDSCHHITJN-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270202;MM270202;C=NN(C)C(=N)C=C(C)F;OOJAVTSSLQVJEQ-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270203;MM270203;C=CN(NC)C(=O)NCC;XPDHLXAEUSLRQZ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270204;MM270204;C=NN(C)C(=N)C=C(F)F;LKVBEBRXWXPHDT-UHFFFAOYSA-N;147.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270205;MM270205;C=NN(C)C(=O)C=C(C)F;OCNFEHCIUFZQPY-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270206;MM270206;C=NN(C)C(=O)C=C(N)N;QGZNVVMIVQSMBZ-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270207;MM270207;C#CC(N)C(=C)C=C(F)F;YLKVELQTVXAIKS-UHFFFAOYSA-N;143.14;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270208;MM270208;C#CC(F)C(=O)C=C(N)N;MNCFWWYZDDFKGX-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270209;MM270209;C=C(C=C(C)C)C(=C)CN;DJXXENBSZZZTQS-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270210;MM270210;C=CCn1cnc(NC)n1;FJDYDYYWKKCGFO-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270211;MM270211;C=C(C=C(C)F)C(=C)CC;IFQGIEHRLIGRFD-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270212;MM270212;C=C(C=C(C)F)C(=C)CF;RIEVPXWYIJVHRP-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270213;MM270213;C=C(C=C(F)F)C(=O)CC;QZZJTYLQJOOEBM-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270214;MM270214;C=C(CC)C(=O)C=C(C)N;MABQQTYZHKNYSD-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270215;MM270215;C=C(CF)C(=O)C=C(C)F;WPCQXISROHGDRA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270216;MM270216;C=C(CO)C(=O)C=C(N)N;CLYSJNIRRGGPHC-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270217;MM270217;CCC(=O)C(=O)C=C(C)N;GMFHLGRVUNGLJX-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270218;MM270218;CCC(=O)C(=O)C=C(N)N;MABGJGJNKDBWQM-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270219;MM270219;C=C(C=C(C)F)C(=N)NO;ZTWXWIOGZTWHDZ-UHFFFAOYSA-N;144.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270220;MM270220;CC1(C=O)NC1C1CC1O;DSFZYYVFKZHAML-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270221;MM270221;CN=C(N)C(=O)C=C(N)N;WEIXLXVRJRJPCL-UHFFFAOYSA-N;142.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270222;MM270222;CNC(=O)C(=O)C=C(C)N;BKSYRJVOGPSTOO-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270223;MM270223;CNC(=O)C(=O)C=C(C)F;CNQXKDLPUXSWMU-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270224;MM270224;CNC(=O)C(=O)C=C(F)F;ZILYEAOVNORLHN-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270225;MM270225;C=C(OC)C(=O)C=C(N)N;FFLBYRISBYKJSK-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270226;MM270226;COC(=O)C(=O)C=C(C)C;KVORUNOAOVOPGS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270227;MM270227;COC(=O)C(=O)C=C(C)F;JSYBIIZSLDNOMZ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270228;MM270228;COC(=O)C(=O)C=C(N)N;HANFMJXXVSVRFT-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270229;MM270229;C=CC(=C)C(=C)C=C(C)C;SJPULDIOWJHNLD-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270230;MM270230;C=CC(=C)C(=C)C=C(C)F;DZIKTLQWTDHKLW-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270231;MM270231;C=C(C=O)C(=C)C=C(F)F;DTLDCUMVUDRYQX-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270232;MM270232;C=C(C=C(C)C)C(=O)C=O;MKEURYZRYLRKTK-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270233;MM270233;C=C(C#N)C(=O)C=C(C)C;OXYPGHDJNGLZIT-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270234;MM270234;C=CC(=C)C(=O)C=C(C)N;DWZJSNDPFUGRFP-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270235;MM270235;C=C(C#N)C(=O)C=C(C)N;KSJCXIKKSWBWOY-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270236;MM270236;NC(N)=CC(=O)C(=O)C=O;QOGACBFKZNVHKO-UHFFFAOYSA-N;142.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270237;MM270237;C#CC(=C)C(=C)C=C(C)C;UBCRUNZJEHUDBD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270238;MM270238;C#CC(=O)C(=O)C=C(C)F;RKWQLPVCXHPODB-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270239;MM270239;CC(=CF)C(C)C=C(F)F;LAWPJPWTBSLGLJ-UHFFFAOYSA-N;150.14;3.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270240;MM270240;CC(C)=CC(N)C(C)=CF;DHUWDGMWESJBKM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270241;MM270241;CC=C(C)C(N)C=C(C)F;ZZWCLUHFHQKCEH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270242;MM270242;CC(F)=CC(N)C(C)=CF;BLNVSTKYCWNOQA-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270243;MM270243;CC(=CF)C(N)C=C(F)F;SVPIYEPWUYCECS-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270244;MM270244;CC(C)=CC(C)C(C)=NN;ZCCWXOIFCQKXMX-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270245;MM270245;CC(=NO)C(C)C=C(F)F;GDOGMJZFGFGLQY-UHFFFAOYSA-N;149.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270246;MM270246;CC1(C#N)NC1C1CC1O;USXLAMLTBIVWMO-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270247;MM270247;C#CC1(C)NC1C1CC1O;RZMOICSPCSTXRH-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270248;MM270248;CCCCCON=CNO;HBOGEJJZWIODAN-UHFFFAOYSA-N;146.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270249;MM270249;CC=CCCON=CNO;HBMYUUCDBJYTSW-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270250;MM270250;CC=COCON=CNO;FJCLYNKUAIZBSD-UHFFFAOYSA-N;146.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270251;MM270251;CCC=CCON=CNO;CAZJGGIRVVLJSR-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270252;MM270252;CC(F)=CN(O)C(C)=NO;ZXXZQEWVKIUSJW-UHFFFAOYSA-N;148.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270253;MM270253;CNN=CCON=CNO;NOOWIROZGPYVSE-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270254;MM270254;C=C(C=C(F)F)C(C)=CF;GDEKGEHGNGFCJB-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270255;MM270255;CC(C)=CC(=O)C(C)=CN;OKTNBXPATSQVIJ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270256;MM270256;CC(C)=CC(=O)C(C)=CF;NOCMMYVGRLNGRA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270257;MM270257;CC=C(C)C(=O)C=C(C)N;ITUGIDBQGUWNFR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270258;MM270258;CC(N)=CC(=O)C(C)=CN;ASWBFYTZEFYJOO-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270259;MM270259;CC(F)=CC(=O)C(C)=CN;FEXXFBKZILEPFK-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270260;MM270260;NC(N)=CC(=O)C(F)=CF;FBGUDFHHKDCZCT-UHFFFAOYSA-N;148.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270261;MM270261;CC(=CC(C)N)C(C)CF;QJOCKWYZXGWQNX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270262;MM270262;CC(=CC(C)O)C(C)CN;IYMHTIJTGYTVER-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270263;MM270263;CCC#CCON=CNO;LAAVOEZHWKZZEI-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270264;MM270264;CC(=CC(C)F)C(C)CN;JXKWJKJLJWHWLH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270265;MM270265;CC(=CC(C)F)C(C)CF;XMWGGIRBOKLICJ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270266;MM270266;CC(=CC(F)F)C(C)CF;AYUWAOSXVKZBRT-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270267;MM270267;CCC(N)C(C)=CC(C)C;DBJGZPVSSKQBGY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270268;MM270268;CC(=CC(C)C)C(N)CF;HNCIDJIQPBBDKC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270269;MM270269;CCC(N)C(C)=CC(C)N;PMPRXGNTPSYASL-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270270;MM270270;CC(=CC(C)N)C(N)CN;GQFOCNAKHBKECR-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270271;MM270271;CC(=CC(C)N)C(N)CO;ABUHEGVHPTUSHO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270272;MM270272;CC(=CC(C)N)C(N)CF;UYZWPUFIHXSTLL-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270273;MM270273;CCC(N)C(C)=CC(C)F;ZJKZLRHPGKKFOS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270274;MM270274;CC(=CC(C)F)C(N)CN;ULJMQTMVDHJOPP-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270275;MM270275;CC(=CC(C)F)C(N)CF;MOHRDEDDJNCTON-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270276;MM270276;CC(=CC(C)C)C(O)CN;PLZHMCWMRPDUDB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270277;MM270277;CC(=CC(C)C)C(O)CO;SENGTZYENSTTCZ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270278;MM270278;CC(=CC(C)C)C(O)CF;ZKEFWGHNGAMCTR-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270279;MM270279;CC(=CC(C)N)C(O)CO;FUIAEJAAAZTHTG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270280;MM270280;CC(=CC(C)N)C(O)CF;ZBTFUMNHBGQVAK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270281;MM270281;CC(=CC(C)O)C(O)CO;LLVVJQNEXDQTEY-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270282;MM270282;CC(=CC(C)O)C(O)CF;WSVUDIFUSIWHTM-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270283;MM270283;CCC(O)C(C)=CC(C)F;IQVOJHCJFZHRGC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270284;MM270284;CC(=CC(C)C)C(F)CN;UDFIMBWNWPFBHP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270285;MM270285;CC(=CC(C)C)C(F)CF;GCGLWQZDOTUJPE-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270286;MM270286;CCC(F)C(C)=CC(C)N;VZLWLWDDJBBUFC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270287;MM270287;CC(=CC(C)N)C(F)CN;LVCOWUFZNAWSRE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270288;MM270288;CC(=CC(C)N)C(F)CF;ADBPCXBIBRTHRH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270289;MM270289;CC(=CC(C)O)C(F)CO;FCWBTHBTWHNURK-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270290;MM270290;CC(=CC(C)O)C(F)CF;AJKIXVPEIURPGI-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270291;MM270291;CCC(F)C(C)=CC(C)F;YMMGIHHNYJFQHK-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270292;MM270292;CC(=CC(C)F)C(F)CN;GKYMQSSURZCJCP-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270293;MM270293;CC(=CC(C)F)C(F)CF;WCFIXRGTDZNZCO-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270294;MM270294;CCC(F)C(C)=CC(F)F;JMEXVWFAOQTQMO-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270295;MM270295;CC(=CC(F)F)C(F)CN;RBZQJLWIDGSFRU-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270296;MM270296;CC(C)C=C(F)C(C)CN;MKFDDEZFBGCUDI-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270297;MM270297;CC(N)C=C(F)C(C)CN;VBJOVVPFOONXTJ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270298;MM270298;CC(N)C=C(F)C(C)CF;CRTXHECUWGLFIT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270299;MM270299;CC(C)C=C(F)C(O)CO;XETBVFVFHVCFHX-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270300;MM270300;CC(F)C=C(F)C(O)CN;CMBNAFJDTCDAKU-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270301;MM270301;NCC(O)C(F)=CC(F)F;WKWSMNJQOYDHMK-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270302;MM270302;CC(N)C=C(F)C(F)CN;ZERLEOQDIVACRR-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270303;MM270303;CC(O)C=C(F)C(F)CN;SYLFWVDBARARSP-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270304;MM270304;CNC(C)C(C)=CC(C)C;GDDJRACYRKYFFJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270305;MM270305;CNC(C)C(C)=CC(C)F;CVKXQIUVPKLRIF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270306;MM270306;CNC(C)C(C)=CC(F)F;GZPMQRHYOLBAEI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270307;MM270307;COC(C)C(C)=CC(F)F;PXTKUENPHYGWQM-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270308;MM270308;CC(=NN(C)C)C(O)CN;JDDWDLVJIUYAMT-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270309;MM270309;CCCCC=NN=CNO;IPHGPVXAALRPDQ-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270310;MM270310;CCN(N)C(C)=NC(C)C;SUHVDYQADROLDH-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270311;MM270311;CCN(C)C(C)=NN(C)C;RHIRLFUDTDTJCT-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270312;MM270312;CON(C)C(C)=NN(C)C;CQUVOHBYFJFSIL-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270313;MM270313;CC(=CC(C)C)C(C)C=O;MYGHXQWUDOUPNQ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270314;MM270314;C=CC(C)C(C)=CC(C)N;UDLPHYDANBSNIN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270315;MM270315;CCC=CC=NN=CNO;PVONEHWEZPYYOP-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270316;MM270316;C=CC(C)C(C)=CC(C)F;XIUQYDNXZFGTAB-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270317;MM270317;CC(=CC(C)F)C(C)C=O;QHHTVAKOFFAWNV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270318;MM270318;C=CC(N)C(C)=CC(C)C;DQSDRQKICWPATN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270319;MM270319;C=CC(N)C(C)=CC(C)O;ZKTUARHPUVDTNN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270320;MM270320;C=CC(N)C(C)=CC(C)F;JVOWDWUJZQEHTE-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270321;MM270321;C=CC(N)C(C)=CC(F)F;DJPFLYZLPGYQKF-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270322;MM270322;CCC#CC=NN=CNO;WKGXWHNIWGGMSK-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270323;MM270323;CC(=CC(C)C)C(O)C#N;KQUAWJCBAZMHRN-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270324;MM270324;C=CC(O)C(C)=CC(C)O;CYPHXYCVNXRYNT-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270325;MM270325;CC(=CC(C)O)C(O)C#N;KCTHBCPKBPNCLU-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270326;MM270326;CC(=CC(C)F)C(O)C#N;XQIZTTZABAIMOH-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270327;MM270327;CC(=CC(C)C)C(F)C=O;CMDYFEVSLCYSEL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270328;MM270328;CC(=CC(C)C)C(F)C#N;ONCRBMQRKNXGNC-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270329;MM270329;CC(=CC(C)O)C(F)C#N;XPUGHOMXNFSVNV-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270330;MM270330;CC(=CC(C)F)C(F)C=O;YZRYULPYDFJDSB-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270331;MM270331;C=CC(C)C(F)=CC(C)N;VTCAKZVXVJEPQW-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270332;MM270332;C=CC(C)C(F)=CC(C)O;NAGLATYPAKUNMA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270333;MM270333;CC(O)C=C(F)C(O)C#N;YBMCNVLDCRVNDW-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270334;MM270334;N#CC(O)C(F)=CC(F)F;RKOUHFARGYTMKW-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270335;MM270335;CC(=CC(C)C)N(C)C=O;PSFUZDYRFIAEBH-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270336;MM270336;CC(=CC(C)F)N(C)C=N;CELGBWBCBDLKEZ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270337;MM270337;CC(=CC(C)C)N(N)C=N;QCMBBKVKOYSUJL-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270338;MM270338;CC(=CC(C)C)N(N)C=O;FWCWYTUGTIIPJB-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270339;MM270339;C=CC1C(C2CC2O)N1C;BVBNRQWWLVRNJP-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270340;MM270340;CC(=CC(C)F)N(N)C=O;QQHLUYYQZGYJGL-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270341;MM270341;CC(=CC(C)C)N(O)C=N;FZOORHMDEIUISC-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270342;MM270342;CC(=CC(C)C)N(O)C=O;YKVNJYZIZQZHEI-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270343;MM270343;CC(=NC(C)C)N(C)C=N;WBVCVUOKPWMZKE-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270344;MM270344;CC(=NC(C)C)N(C)C=O;AHRVGLDRAOHYGW-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270345;MM270345;C=CN(N)C(C)=NC(C)C;BJUKSHKPKJZBPA-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270346;MM270346;C=CN(C)C(C)=NN(C)C;ZXIWZRYFRUELEJ-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270347;MM270347;CC(=NN(C)C)N(C)C=N;AQEOIZMPVJPMKQ-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270348;MM270348;C#CC(C)C(C)=CC(C)C;WZXJPGPTEGHGGI-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270349;MM270349;C#CC(C)C(C)=CC(C)N;WKPIEMSJEDHUCD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270350;MM270350;C=NN1C(C)C1C1CC1O;FFMKONXHIUOVBC-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270351;MM270351;C#CC(C)C(C)=CC(C)F;NDRFQWBOBPNGTC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270352;MM270352;C#CC(C)C(C)=CC(F)F;GMBAIXKMELJMPL-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270353;MM270353;C#CC(N)C(C)=CC(C)C;LMLLXSGTJBWUPV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270354;MM270354;C#CC(N)C(C)=CC(F)F;YFPCPJMUAVQGPF-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270355;MM270355;C#CC(O)C(C)=CC(C)C;ISTXSADADWNVGG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270356;MM270356;C#CC(F)C(C)=CC(C)N;YDCVDZVFUHSIMX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270357;MM270357;C#CC(F)C(C)=CC(C)O;GRZPGJJCGKQAGA-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270358;MM270358;C#CC(C)C(F)=CC(C)C;GGBLGDQEIIUYFE-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270359;MM270359;C#CC(C)C(F)=CC(C)N;MVOAVUCSCPVNFW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270360;MM270360;C#CC(C)C(F)=CC(C)O;BUQKCXWWNBWDAB-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270361;MM270361;C#CC(C)C(C)=NN(C)C;MIFVSJYKEXQXEH-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270362;MM270362;CCNN=CNO;GPAMFINVXHWTDW-UHFFFAOYSA-N;103.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270363;MM270363;C#CCN(N)C(N)=O;AOFBQUDYLOKHLW-UHFFFAOYSA-N;113.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270364;MM270364;CC(=O)C=C(C)C(C)CF;FBQUNQAHUCXJQG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270365;MM270365;CC(=CC(=N)N)C(C)CN;XEHGAFFRFXOOEI-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270366;MM270366;CC(=CC(=N)N)C(C)CF;PPJKXEMJPNZDBM-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270367;MM270367;CC(=CC(=O)O)C(C)CF;LJAZZDQZFJOKEF-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270368;MM270368;C=C(F)C=C(C)C(C)CN;VFMQVVKHOJUINI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270369;MM270369;C=C(C)C=C(C)C(N)CC;OFSPLFVPXRUZND-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270370;MM270370;C=C(C)C=C(C)C(N)CO;FEQYVYBWPRMLJE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270371;MM270371;C=C(C)C=C(C)C(N)CF;DSJQEJZYYNFBGH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270372;MM270372;CCC(N)C(C)=CC(N)=O;YNWOKZZEALUAME-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270373;MM270373;CCC(O)C(C)=CC(C)=O;QJXYZAHUTQMRDV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270374;MM270374;CC(=O)C=C(C)C(O)CF;IOOPMBHPDMQICY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270375;MM270375;CCC(O)C(C)=CC(N)=O;FCYSQFUTIBUUHS-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270376;MM270376;C=Cc1[nH]nc(F)c1O;USJZBJFLCOERAV-UHFFFAOYSA-N;128.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270377;MM270377;CC(O)(C=O)C(CO)=NO;LURUZHMVUARUPP-UHFFFAOYSA-N;147.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270378;MM270378;C=C(C)C=C(C)C(F)CN;ZHMZKDHLKJKJAH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270379;MM270379;CCC(F)C(C)=CC(C)=O;WCJGIEWOOFTGJV-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270380;MM270380;CC(=O)C=C(C)C(F)CO;ZMBVLAKTUFIQQX-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270381;MM270381;NNc1cc(N)[nH]n1;DAAIZSUKNPQIFI-UHFFFAOYSA-N;113.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270382;MM270382;CC(=CC(N)=O)C(F)CN;FUFGIGDWALJVLI-UHFFFAOYSA-N;146.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270383;MM270383;CCC(F)C(C)=CC(=O)O;DBIUZPUCRNIERV-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270384;MM270384;ON=c1nc(O)ncn1O;IHOQBBNJGNWNOJ-UHFFFAOYSA-N;144.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270385;MM270385;C=C(F)C=C(C)C(F)CN;VMJYCCODSNDTHP-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270386;MM270386;N=C(N)C=C(N)C(N)CN;ZRFYGSAKKJZMNO-UHFFFAOYSA-N;143.19;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270387;MM270387;N=C(N)C=C(N)C(N)CF;WZNVBVUJAVMFPN-UHFFFAOYSA-N;146.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270388;MM270388;N=C(N)C=C(N)C(O)CO;FDMHOYCJROVUFI-UHFFFAOYSA-N;145.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270389;MM270389;CCC(F)C(N)=CC(=N)N;JXDYKJAZEMSYOH-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270390;MM270390;Cc1onc(N)c1O;BJNSBQRJMMNUSZ-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270391;MM270391;CC(CN)C(F)=CC(=N)N;YJVOTHTURXLIMZ-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270392;MM270392;CC(CO)C(F)=CC(=N)N;GSLXWMMITFQAIB-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270393;MM270393;CC(CF)C(F)=CC(=N)N;NUVRWNDFVGZSLJ-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270394;MM270394;CC(CO)C(F)=CC(N)=O;UFGIHZGQQOSHQZ-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270395;MM270395;CC(CF)C(F)=CC(=O)O;SCYKIOKNHRCFJY-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270396;MM270396;C=C(F)C=C(F)C(C)CN;KITFQFWSOJJDGL-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270397;MM270397;C=C(C)C=C(F)C(N)CN;UCQWPGPMFQVWGG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270398;MM270398;CCC(N)C(F)=CC(=N)N;YWLQAHWBIIOXDS-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270399;MM270399;C=C(C)C=C(F)C(O)CO;UMYHTAIVBSFSNA-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270400;MM270400;CCC(O)C(F)=CC(=N)N;MFFGHYSMEGRQCP-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270401;MM270401;N=C(N)C=C(F)C(O)CN;MJYXGTLYKULBQC-UHFFFAOYSA-N;147.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270402;MM270402;CCC(O)C(F)=CC(N)=O;HUGPGVYEFANWDR-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270403;MM270403;C=C(F)C=C(F)C(O)CO;NWNVRYXGIDUFOA-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270404;MM270404;C=C(C)C=C(C)C(C)NC;CUQYWJKHBKELCL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270405;MM270405;C=C(F)C=C(C)C(C)NC;PPGCGZBDOFETEZ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270406;MM270406;CNC(C)C(N)=CC(C)=O;HXRUSVZXGYEMLN-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270407;MM270407;CNC(C)C(F)=CC(=N)N;NKLCOBIEOLBQOU-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270408;MM270408;C=NNCC1CC1O;SNRBIGCRGKHPHL-UHFFFAOYSA-N;114.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270409;MM270409;CC1CN1N=CNO;WLXPYTDKAGVFDE-UHFFFAOYSA-N;115.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270410;MM270410;CC(F)CNN=CNO;CNTXVCAIIVUVNE-UHFFFAOYSA-N;135.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270411;MM270411;CC(=O)CNN=CNO;XXPXEMIHQXUGCR-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270412;MM270412;CCN(O)C(C)=NC(C)=O;IOHHFRZRJBCLCW-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270413;MM270413;CNN(C)C(C)=NC(=N)N;DTXKATBOPJVLIU-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270414;MM270414;C=CC(C)C(C)=CC(=C)C;DSYIQGJDIVERQK-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270415;MM270415;C=C(C)C=C(C)C(C)C=O;AGXSDNKQHXXBOO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270416;MM270416;C=CC(C)C(C)=CC(C)=O;GOYDFGUABBYCNV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270417;MM270417;CC(=O)C=C(C)C(C)C=O;QDGAUMFDXLFUNN-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270418;MM270418;CC(=O)C=C(C)C(C)C#N;QBLKJECGFQQEAC-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270419;MM270419;C=CC(C)C(C)=CC(=N)N;JSVDVNFPIFGBNN-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270420;MM270420;CC1(C)CN1N=CNO;UBOLGHOZNLQEGC-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270421;MM270421;C#CCN(C)N=CNO;FZAJSMGSKWKJAO-UHFFFAOYSA-N;127.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270422;MM270422;C=CC(C)C(C)=CC(=O)O;QLNFQPUPFNSZCO-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270423;MM270423;Cc1c(O)[nH]n(O)c1=NO;FGKWPTMDVPBBKJ-UHFFFAOYSA-N;145.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270424;MM270424;C=C(F)C=C(C)C(C)C=O;XVMTWQUACAPXRF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270425;MM270425;C=CC(N)C(C)=CC(=C)C;JKNRYQZAJJMZPH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270426;MM270426;C=CC(N)C(C)=CC(=C)F;QKXHLSRAIYUQJR-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270427;MM270427;CN(C=NN)N=CNO;GCSAKJFCKHCRMT-UHFFFAOYSA-N;131.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270428;MM270428;C=C(C)C=C(C)C(O)C#N;PXNPAYCNQGLTTO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270429;MM270429;CC(=CC(=N)N)C(O)C=O;PMYSUMBKLYPSMJ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270430;MM270430;CCCC(C=NO)C(=O)O;QQSHAQNYPJUIAI-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270431;MM270431;NN=c1[nH]nc(CO)o1;XQEFCZKWPDRFIK-UHFFFAOYSA-N;130.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270432;MM270432;C=CC(F)C(C)=CC(=C)C;XLDPEFUQGLHSET-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270433;MM270433;C=C(C)C=C(C)C(F)C=O;WQRCRDAJIPBABB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270434;MM270434;C=C(C)C=C(C)C(F)C#N;JFPWHHWXEXDLBM-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270435;MM270435;C=CC(F)C(C)=CC(C)=O;PUXNIGTUPZFBRZ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270436;MM270436;CC(=CC(=N)N)C(F)C=O;FZPNVCSLLKXFSO-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270437;MM270437;C=CC(C)C(N)=CC(=N)N;CHKFRBPEUVWENI-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270438;MM270438;CC(C#N)C(N)=CC(=N)N;MIBFDIMYXJXHAU-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270439;MM270439;CON=C(C)C=CC(=O)O;QOTIVEBUNXASNH-UHFFFAOYSA-N;143.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270440;MM270440;NC(=O)C=C(N)C(F)C=O;FDEJMSXBYNNXAE-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270441;MM270441;C=NNC=CC(=O)O;KIZUBQRLKBDYAP-UHFFFAOYSA-N;114.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270442;MM270442;C=CC(C)C(F)=CC(=C)C;MHZOHNGUSCTWGX-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270443;MM270443;C=C(C)C=C(F)C(C)C=O;RFTFSOWXCJEULH-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270444;MM270444;CC(=O)C=C(F)C(C)C=O;OVKDCZHBATXPNV-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270445;MM270445;C=CC(C)C(F)=CC(=N)N;DSWXKMDULZWFLT-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270446;MM270446;CC(C=O)C(F)=CC(=N)N;PXIHYDIZQHTCJU-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270447;MM270447;CC(C=O)C(F)=CC(N)=O;NTKVLURRBXZZJL-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270448;MM270448;CC(C#N)C(F)=CC(=O)O;ULTLRRNQRILSSX-UHFFFAOYSA-N;143.12;1.08;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270449;MM270449;CC(=O)C=C(F)C(O)C=O;PEORDRIRCAGNED-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270450;MM270450;C=C(F)C=C(F)C(O)C=O;HQZCPTFBONFYNL-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270451;MM270451;C=C(C)C=C(C)N(C)C=O;YCLMSZLGHRQLPY-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270452;MM270452;CC(C)N(C)N=CNO;QROKSSCOVRFXIH-UHFFFAOYSA-N;131.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270453;MM270453;C=C(C)C=C(C)N(N)C=O;CBJSNVSCPLWMSI-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270454;MM270454;CN(C=O)C(N)=CC(=N)N;PNOXKTDSCNKBOH-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270455;MM270455;CN(C=N)C(N)=CC(N)=O;QTMFVSSMNSMBSI-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270456;MM270456;CC(C=O)NN=CNO;YESBOITUMQGBNS-UHFFFAOYSA-N;131.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270457;MM270457;N=CN(N)C(N)=CC(=N)N;FTLMKOGUJXLVBU-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270458;MM270458;N=C(N)C=C(N)N(N)C=O;QTMAZKSXHNCPOK-UHFFFAOYSA-N;143.15;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270459;MM270459;N=CN(N)C(N)=CC(N)=O;AMBLIAAWPBQLEN-UHFFFAOYSA-N;143.15;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270460;MM270460;NN(C=O)CC1CC1O;BPKXZLLHOHFGJR-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270461;MM270461;N=CN(O)C(N)=CC(=N)N;JNSDBQSQTBLTMU-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270462;MM270462;N=CN(O)C(N)=CC(N)=O;NPEWYLCXDJUWAT-UHFFFAOYSA-N;144.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270463;MM270463;Nn1oc(=NO)c(F)c1O;NQMDDKMKIHFYEM-UHFFFAOYSA-N;149.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270464;MM270464;C=NN(C)CC1CC1O;FGMCDUAFETVHAF-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270465;MM270465;C=NN(C)C(C)=CC(=N)N;WSPNPWMABFLWBA-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270466;MM270466;C=NN(C)C(N)=CC(=N)N;XJRSBUXZHAVVJV-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270467;MM270467;CC(=N)N=C(C)N(C)C=N;LICMEMSBGJEYRQ-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270468;MM270468;CC(=N)N=C(C)N(C)C=O;VYQXRQLHXSHPRO-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270469;MM270469;CC(=NC(=N)N)N(C)C=O;UZVAUWCVEFSEIK-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270470;MM270470;NC(=O)N(N)CC1CO1;FPJAJNIJWXDFGI-UHFFFAOYSA-N;131.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270471;MM270471;C=CN(N)C(C)=NC(=N)N;NOXCSZZDPXZQOW-UHFFFAOYSA-N;141.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270472;MM270472;CC(=NC(=N)N)N(N)C=N;IMKBIRQGZORDGN-UHFFFAOYSA-N;142.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270473;MM270473;CC1CC1NN=CNO;GSQOHIFDWLCKNS-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270474;MM270474;CC1C(C)N1N=CNO;JKCYXMAEKVUWFM-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270475;MM270475;C=NN(C)C(C)=NC(C)=N;MLMHHDAMMUABBN-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270476;MM270476;C=NN(C)C(C)=NC(=N)N;UDQIOJCPVXQQBF-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270477;MM270477;C#CC(C)C(C)=CC(=C)C;ANDFOCPCQKFPNO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270478;MM270478;C#CC(C)C(C)=CC(C)=O;QDQKLIMCKVNAIF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270479;MM270479;C#CC(C)C(C)=CC(=O)O;GHPUIGKYYVPXFW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270480;MM270480;C#CC(C)C(C)=CC(=C)F;VHMUAYGJMATGBF-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270481;MM270481;C#CC(N)C(C)=CC(=C)C;INTOQGJBBQLLGD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270482;MM270482;C#CC(N)C(C)=CC(=N)N;GUNPSHPMNADYOG-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270483;MM270483;C#CC(N)C(C)=CC(=C)F;IENKAVULCMJHSP-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270484;MM270484;C#CC(O)C(C)=CC(=C)C;LWSYSKRWIMWVIH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270485;MM270485;C#CC(O)C(C)=CC(C)=O;JKCIRKMEEVWAIO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270486;MM270486;C#CC(F)C(C)=CC(C)=O;GWYNQFCLOSHFNB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270487;MM270487;NN=CCNN=CNO;HECSURJQDCDUCO-UHFFFAOYSA-N;131.14;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270488;MM270488;C#CC(N)C(N)=CC(=N)N;VKXMSKNNFSKTQF-UHFFFAOYSA-N;138.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270489;MM270489;C#CC(O)C(N)=CC(=N)N;XGYAFJUYXZPIED-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270490;MM270490;C#CC(O)C(N)=CC(N)=O;WLTPIZMVNZAFHI-UHFFFAOYSA-N;140.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270491;MM270491;Cc1c(O)[nH]c(=O)oc1=O;QIIVALYOVNDKPZ-UHFFFAOYSA-N;143.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270492;MM270492;CNN=CNN=CNO;ILKDASFMQPJFIW-UHFFFAOYSA-N;131.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270493;MM270493;C#CC(C)C(F)=CC(=C)C;LENCBPMJFKZIMO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270494;MM270494;C#CC(C)C(F)=CC(C)=O;RXMBXRAYMPHSAG-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270495;MM270495;CCC1CN1N=CNO;WBXPRVONTIQOPE-UHFFFAOYSA-N;129.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270496;MM270496;C=C(CN)C(C)=CC(C)F;QAYGSXNCFLUQEU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270497;MM270497;C=C(CN)C(C)=CC(F)F;CCSGCODENUVSRN-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270498;MM270498;CCC(=O)C(C)=CC(C)C;VUMJIHQXYKJTLT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270499;MM270499;CC(=CC(C)C)C(=O)CF;RXFIGFHCNHTFKI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270500;MM270500;CCC(=O)C(C)=CC(C)O;YEGPECNNVNDVMR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270501;MM270501;CC(=CC(C)O)C(=O)CO;NIGCQDHLSUCKAE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270502;MM270502;CC(=CC(C)F)C(=O)CF;QNPOHYFCPDTBBF-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270503;MM270503;C=C(CC)C(F)=CC(C)O;AGGVFZLLUHYKLE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270504;MM270504;C=C(CO)C(F)=CC(C)O;FZTDVMZZUCHMKO-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270505;MM270505;CCC(=O)C(F)=CC(C)C;AXNFQKBCIJYNSS-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270506;MM270506;CCC(=O)C(F)=CC(C)O;DSIMARGXTONBPQ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270507;MM270507;CC(O)C=C(F)C(=O)CO;CPNXQLDYEJYAIK-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270508;MM270508;CNC(=N)C(C)=CC(C)C;HJMKVZPXPZVZBK-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270509;MM270509;CC(=CC(C)F)C(=N)NN;LZOJCPXCJPMTLL-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270510;MM270510;C#Cc1c[nH]nc1C#C;SGHUKOOISROEKQ-UHFFFAOYSA-N;116.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270511;MM270511;CC(F)CN(C)N=CNO;BLTPHSCKIXVCHN-UHFFFAOYSA-N;149.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270512;MM270512;CC(=O)CN(C)N=CNO;PTAGOLIOKMHVOX-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270513;MM270513;CNC(=O)C(C)=CC(F)F;OESXVYBKFBFBLN-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270514;MM270514;CC(N)C=C(F)C(=N)NO;QZJLNHAUYHUIME-UHFFFAOYSA-N;147.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270515;MM270515;CNC(=N)C(F)=CC(C)O;LSFAZZBPUONJCA-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270516;MM270516;C=CC(C)(C)NN=CNO;WIWWAFUIPAKOTB-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270517;MM270517;NC(=O)CCN(N)C(N)=O;NXVSQDWDWBAQOK-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270518;MM270518;CNC(=O)C(F)=CC(C)O;YGOQVKGUZJXBAL-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270519;MM270519;COC(=O)C(C)=CC(F)F;RFHHDOAKOQLDJQ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270520;MM270520;CN(C)C=C(F)C(=O)CO;TXQCPSOXTTZWQU-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270521;MM270521;C=C(CC)C(C)=NN(C)C;BAKWGZJZMPSIHC-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270522;MM270522;C=C(CN)C(C)=NN(C)C;ITNHNGRBIRYQFD-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270523;MM270523;COCC(C#N)=CC(N)=O;QPJORZOXKDKSSU-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270524;MM270524;CC(=NN(C)C)C(=O)CO;PMRJCCHAMJJKIN-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270525;MM270525;CNC(=N)C(C)=NN(C)C;NNDSYLCJNNQJGU-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270526;MM270526;C=C(C=O)C(C)=CC(C)C;SCKMIVJWAUOOJV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270527;MM270527;C=C(C#N)C(C)=CC(C)C;FMPBNVKEROFEJV-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270528;MM270528;CC(=O)CN(C=N)C(N)=O;QLFQXNDUMPXCTP-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270529;MM270529;CC(C)CCNN=CNO;PBLKJQDIUBBLNY-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270530;MM270530;CC(F)CCNN=CNO;CRTKAWPOSJJXSQ-UHFFFAOYSA-N;149.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270531;MM270531;C=C(C=O)C(C)=CC(C)F;ILMKQTNIADHEAA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270532;MM270532;C=C(C=O)C(C)=CC(F)F;DRTNBAWAWBEMBF-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270533;MM270533;C=CC(=O)C(C)=CC(C)C;GYJFJSSBCMNXIO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270534;MM270534;CC(=CC(C)C)C(=O)C#N;RJCPBTQXMBHQQP-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270535;MM270535;C=CC(=O)C(C)=CC(C)O;UJHZIEIRPMIMDH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270536;MM270536;CC(=CC(C)O)C(=O)C=O;FSZGDQDRBNDGLH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270537;MM270537;C=CC(=O)C(C)=CC(C)F;NYVYBVPACCQNRH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270538;MM270538;C=CC(=O)C(C)=CC(F)F;FIIXKGVCABDHLM-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270539;MM270539;C=CC(=C)C(F)=CC(C)O;MQHHXFFAZOKZFN-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270540;MM270540;C=CC(=O)C(F)=CC(C)C;GAWUGGVETNWFSR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270541;MM270541;C=CC(=O)C(F)=CC(C)O;KXWYHZDHDOJSPS-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270542;MM270542;C=CC(=C)C(C)=NN(C)C;CVBPXMQMKUQMJH-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270543;MM270543;C=C(C#N)C(C)=NN(C)C;NFBAJVUATNWISG-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270544;MM270544;C#CC(=O)C(C)=CC(C)C;AUEVXNAZBFAOKG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270545;MM270545;C#CC(=O)C(C)=CC(C)F;YIVOEXDRGZQOKW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270546;MM270546;C#CC(=C)C(C)=NN(C)C;LAKZBWRLSAJPDY-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270547;MM270547;C=C(C)C=C(C)C(=C)CN;WVNRJEIDLZHPOZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270548;MM270548;C=C(C)C=C(C)C(=O)CC;KSBDXEVPGUISNY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270549;MM270549;C=C(C)C=C(C)C(=O)CF;VOINMGKLTKAYIC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270550;MM270550;CCC(=O)C(C)=CC(C)=O;OOINPQQJGDMOSM-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270551;MM270551;CC(=CC(=N)N)C(=O)CO;XUONUCXQYTVTJW-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270552;MM270552;CC(=CC(N)=O)C(=O)CO;YQOZQCICIFTIDS-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270553;MM270553;C=C(F)C=C(C)C(=O)CF;AVMWMWZPOKCSCA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270554;MM270554;C=C(CC)C(N)=CC(=N)N;FKGQSUNANCJFAH-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270555;MM270555;C=C(CF)C(N)=CC(=N)N;CAXMUVQCIHVFOD-UHFFFAOYSA-N;143.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270556;MM270556;N=C(N)C=C(N)C(=O)CO;BZDHXHYLEVGTBE-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270557;MM270557;Nc1nc(=O)[nH]c(=O)o1;DPCOMXCPOLRYJD-UHFFFAOYSA-N;129.08;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270558;MM270558;C=C(C)C=C(F)C(=C)CN;AYHHSZDRTJGBJV-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270559;MM270559;C=C(CF)C(F)=CC(C)=O;KQNDMCIVJVYSAH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270560;MM270560;C=C(CC)C(F)=CC(=N)N;RWPJLJTXLWZPMB-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270561;MM270561;C=C(CO)C(F)=CC(=N)N;XGCJLPGGWKGPLX-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270562;MM270562;C=C(CO)C(F)=CC(N)=O;YTTAVHKIEHGUDW-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270563;MM270563;C=C(C)C=C(F)C(=O)CC;BYFLNOKSDPBOLK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270564;MM270564;NC(=O)C=C(F)C(=O)CF;MLRMWHYLKNGYNI-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270565;MM270565;C=C(C)C=C(C)C(=N)NN;BPODSZLRVJQWKE-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270566;MM270566;C=C(C)C=C(C)C(=N)NO;IMSJWKRBYDYMNT-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270567;MM270567;CNC(=N)C(C)=CC(=N)N;GCWFXDKXGRGXQT-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270568;MM270568;CN(C)N=CNN=CNO;HELSYBBBOIZWHA-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270569;MM270569;C=C(C)C=C(C)C(=O)NO;HAISEXCNXJNVGZ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270570;MM270570;CC(=O)C=C(C)C(=O)NO;PYPOBNBZYVYOPE-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270571;MM270571;C=C(F)C=C(C)C(=O)NO;YRBQWRZUIANEQR-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270572;MM270572;CNC(=N)C(N)=CC(=N)N;POMYHKUDMBADID-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270573;MM270573;N=C(N)C=C(N)C(=N)NN;QIYQAFHENZDXRE-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270574;MM270574;N=C(N)C=C(N)C(=N)NO;WPNRUYBNVBMKIM-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270575;MM270575;CN=C(N)C(N)=CC(N)=O;MKIDJIMRDXKLHF-UHFFFAOYSA-N;142.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270576;MM270576;NN=C(N)C(N)=CC(N)=O;JZYADLIANCXXPG-UHFFFAOYSA-N;143.15;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270577;MM270577;N=C(NO)C(N)=CC(N)=O;VBVAXQZYECKPBW-UHFFFAOYSA-N;144.13;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270578;MM270578;CNC(=O)C(N)=CC(=N)N;HUCIFTVKWXFIOP-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270579;MM270579;N=C(N)C=C(N)C(=O)NN;MDNVFJNPIZNYAD-UHFFFAOYSA-N;143.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270580;MM270580;NN=CC#CC#CC(F)F;BGDSLABSJQSQRZ-UHFFFAOYSA-N;142.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270581;MM270581;NC(=O)C=C(N)C(=O)NO;YDFUHZPNXSOLHU-UHFFFAOYSA-N;145.12;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270582;MM270582;O=c1oc(O)c(CF)o1;FLECVYBHOXKFQI-UHFFFAOYSA-N;134.06;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270583;MM270583;C=COC=C(C)C(=O)O;NYRCLBVSNIRLDZ-UHFFFAOYSA-N;128.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270584;MM270584;Cc1cc(=NO)c(=O)[nH]o1;BNIDELQDQPVNFO-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270585;MM270585;C=C(C)C=C(F)C(=N)NC;OQFLQEAMMBSMNC-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270586;MM270586;CNC(=N)C(F)=CC(=N)N;RDSAVXUHJDLUPI-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270587;MM270587;N=C(N)C=C(F)C(=N)NN;VBSONVBNAMPRIR-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270588;MM270588;N=C(N)C=C(F)C(=N)NO;PJOORXGUHDQAKG-UHFFFAOYSA-N;146.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270589;MM270589;CC(CC=O)NN=CNO;HBEAPNSSKGAQTD-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270590;MM270590;CCOC(=N)NN=CNO;SAOSARRMDSDAAP-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270591;MM270591;CNC(=O)C(F)=CC(=N)N;JKBQDFPTNBQHCZ-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270592;MM270592;CNC(=O)C(F)=CC(N)=O;STBJKMSSWABOFY-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270593;MM270593;NC(=O)C=C(F)C(=O)NO;VNAKVXBYVOHAKO-UHFFFAOYSA-N;148.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270594;MM270594;C=C(OC)C(C)=CC(C)=O;DFBIFFXMTQNRHV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270595;MM270595;C=C(OC)C(F)=CC(=N)N;DVAROJUWQDYBGA-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270596;MM270596;C=C(OC)C(F)=CC(N)=O;WLEXSEOPYFVGJL-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270597;MM270597;COC(=O)C(F)=CC(C)=O;CZIVDKLPAPDROU-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270598;MM270598;COC(=O)C(F)=CC(=N)N;COCIVWMQKCNTMO-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270599;MM270599;COC(=O)C(F)=CC(N)=O;QTRSPRGFPPDMQR-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270600;MM270600;C=CC(=C)C(C)=CC(=C)C;VZQODVKAVJNRJO-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270601;MM270601;C=C(C)C=C(C)C(=C)C=O;BTDXWCOUJFSTER-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270602;MM270602;C=C(C#N)C(C)=CC(C)=O;SVTLVCJRDABFHQ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270603;MM270603;C=C(C#N)C(C)=CC(=N)N;ATPYAGVRIXZTSJ-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270604;MM270604;CC(=CC=O)NN=CNO;ZTOZJQQCYWUUON-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270605;MM270605;C=C(C#N)C(C)=CC(=O)O;NPZLCMBMHWHWSS-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270606;MM270606;C=CC(=O)C(C)=CC(=C)C;VBEPKNVYKCAFBC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270607;MM270607;CC(=O)C=C(C)C(=O)C#N;LSJDOAUJNOIUPQ-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270608;MM270608;CC(=CC(N)=O)C(=O)C#N;QCQAOWMFAMVXRT-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270609;MM270609;CONC(=O)C1(C#N)CC1;KUJOIOXKKVPVRQ-UHFFFAOYSA-N;140.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270610;MM270610;C=CC(=O)C(C)=CC(=C)F;RVVLOAVWPXAOTD-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270611;MM270611;C=CC(=C)C(N)=CC(C)=O;DGFRVYQCIDTUAE-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270612;MM270612;C=C(C#N)C(N)=CC(=N)N;JOWWUMUXDVGLGC-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270613;MM270613;C#CCC(=O)C(C)=NNC;DMIQGMMCXLREFR-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270614;MM270614;Cn1[nH]c(C=O)nc1=O;VBQIVABPBJJUKU-UHFFFAOYSA-N;127.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270615;MM270615;C=CC(=O)C(N)=CC(C)=O;YCXQYIPTWJPHLF-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270616;MM270616;CC(=O)C=C(N)C(=O)C#N;HRHKQZAZDSTADQ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270617;MM270617;C=CC(=O)C(N)=CC(=N)N;WIAUCHWYOPBFRZ-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270618;MM270618;C=CC(=C)C(F)=CC(C)=O;DTKJWNAAHAKVKY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270619;MM270619;N#CC(=O)C(F)=CC(=O)O;CLPUVKSEWGTWOP-UHFFFAOYSA-N;143.07;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270620;MM270620;C#CC(=C)C(C)=CC(C)=O;RCWIGTQYENYNBB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270621;MM270621;C#CC(=C)C(C)=CC(=N)N;SHTRLGOUZYSUBC-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270622;MM270622;C#CC(=C)C(C)=CC(=O)O;DUCSDWIZVSPRQX-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270623;MM270623;C#CC(=O)C(C)=CC(=C)C;IIPFSPMVLREEPO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270624;MM270624;C#CC(=O)C(C)=CC(C)=O;CXHOPFVIRRYRAN-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270625;MM270625;C#CC(=C)C(N)=CC(=N)N;BNZOEUWNJKSJEM-UHFFFAOYSA-N;135.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270626;MM270626;COC(CF)CC(=O)O;MOCDEJKFJAYFRQ-UHFFFAOYSA-N;136.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270627;MM270627;C#CC(=O)C(N)=CC(N)=O;RTHVIDDEPFAFGJ-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270628;MM270628;C#CC(=C)C(F)=CC(C)=O;AQUNMXRFWWUGRU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270629;MM270629;C#CC(=O)C(F)=CC(=N)N;YIWKLCLODXDIFN-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270630;MM270630;C#CC(=O)C(F)=CC(N)=O;ONJNYDWCSZJCKD-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270631;MM270631;CC(=CF)C(C)=CC(C)N;MFJCXGBMFFGSDP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270632;MM270632;CC(=CF)C(C)=CC(C)F;RRUYZKGKKNEZFK-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270633;MM270633;CC=C(C)C(C)=CC(F)F;DGVHAPKSPKYWBQ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270634;MM270634;CC=C(F)C(C)=CC(C)N;CWYLZDLZRMPHCQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270635;MM270635;CC(=CC(C)N)C(F)=CF;OGYXKRDKEHTDGQ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270636;MM270636;CC=C(C)C(F)=CC(C)N;IDMQTEAFDRVXKR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270637;MM270637;CC(=CC(C)C)C(C)=NN;PKQNDJQWGTURMF-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270638;MM270638;CC(F)C(=N)NN=CNO;KTCFKCLBEHLHKJ-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270639;MM270639;CON=CCN(N)C(N)=O;GLADCWZQLCWIRA-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270640;MM270640;C=NN=CCN(N)C(N)=O;FSXHKIKAWMJBHS-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270641;MM270641;CC(=NN(C)C)C(F)=CN;CJTQJZRNVCUGHM-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270642;MM270642;CC=C(C)C(C)=CC(C)=O;NWENKKZKVIEAPH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270643;MM270643;CC(=O)C=C(C)C(C)=CF;MOXOPIUQYMWILK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270644;MM270644;CC=C(C)C(C)=CC(=N)N;MZNORXKHNAYYCL-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270645;MM270645;CC(=CF)C(C)=CC(=N)N;PBFGRGOOHLCMDC-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270646;MM270646;CC(F)C(=O)N(N)C=NN;VAPMUOFUPKWNLS-UHFFFAOYSA-N;148.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270647;MM270647;CC1CC1(C)NN=CNO;MYQBWOMMWMNIDK-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270648;MM270648;CC=C(C)C(C)=CC(=O)O;YWRSLTIDOOYBFY-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270649;MM270649;CC(=CF)C(C)=CC(=O)O;FWPGJEMRPQYDJF-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270650;MM270650;C=C(F)C=C(C)C(C)=CF;NMYDTAWGAGKCTQ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270651;MM270651;C=C(C)C=C(C)C(F)=CF;SHXROJUGZJODCR-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270652;MM270652;CC=C(F)C(C)=CC(C)=O;FSHSWYMDCPHHIL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270653;MM270653;CC(=O)C=C(C)C(F)=CF;PPNVWVOKAKERNW-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270654;MM270654;CC=C(F)C(C)=CC(=N)N;VTKNDBMCICCQNW-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270655;MM270655;CN=NC(=CNN)C(N)=O;JQVIJMISLPOBDC-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270656;MM270656;CC=C(C)C(N)=CC(=N)N;YGGURLITDLSOFW-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270657;MM270657;CC(=O)C=C(N)C(F)=CF;NTTKWPAVGCWFFO-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270658;MM270658;CC=C(C)C(F)=CC(C)=O;FQEXNXRTJTYTPS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270659;MM270659;CC=C(C)C(F)=CC(=N)N;XNVIFSMIGDDIRG-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270660;MM270660;CC(=CF)C(F)=CC(=N)N;NNKVLBXLDDOTQO-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270661;MM270661;CN=CN(C(C)=N)C(N)=O;VSBFMWCKHBLSJO-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270662;MM270662;CC(=CF)C(F)=CC(N)=O;YNWPQPNWKKKWAD-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270663;MM270663;CC(=O)C=C(C)C(C)=NO;WBIQDRLOXQOONI-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270664;MM270664;CN(CC#N)CC1CC1O;MTMONSOJGWOLBC-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270665;MM270665;CC(=CC(N)=O)C(C)=NO;PRQVHOPIXWNDIB-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270666;MM270666;CC(=NN)C(N)=CC(=N)N;MPWPHZBMWUOXGH-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270667;MM270667;CC(=NO)C(N)=CC(=N)N;INGQDJOVABRQLI-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270668;MM270668;CC(=NO)C(N)=CC(N)=O;RKWAICIESVFEKX-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270669;MM270669;CC=NN(C)CC1CC1O;NPCYKLDMXCUUIH-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270670;MM270670;CC(CN)=C(C)CC(C)C;YJXBZQIDQVIKLY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270671;MM270671;CC(CN)=C(C)CC(C)F;JUKOJPGHHDKZIR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270672;MM270672;CC(=O)N(N)CC1CC1O;TWPUJUUKEGWWIR-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270673;MM270673;CC(CF)=C(C)CC(C)F;RPIKIECITITCKC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270674;MM270674;CNC(=O)COC(C)=NN;WIHDWVMARSDDBV-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270675;MM270675;CC(CF)=C(C)CC(F)F;XHAZAOWYJAQHOR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270676;MM270676;CCC(F)=C(C)CC(C)N;AZNLPXNVUBHIQS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270677;MM270677;CC(CC(C)N)=C(F)CO;GQMSYKJEVFJPMQ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270678;MM270678;CC(CN)=C(F)CC(C)C;KNEHJDVLOVCSFJ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270679;MM270679;CCC(C)=C(F)CC(C)N;VJWUTCSXKAENSO-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270680;MM270680;CC(CF)=C(F)CC(C)N;FBMWAQPIAAALQB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270681;MM270681;CCC(C)=C(F)CC(C)O;RNPKRMPPRAEROB-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270682;MM270682;CC(CF)=C(F)CC(C)O;JTNNTFSACNVJBV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270683;MM270683;CC(CN)=C(F)CC(C)F;LNVKEZMZOYYICG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270684;MM270684;CC(CF)=C(F)CC(C)F;CJMSILGSKJEOBZ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270685;MM270685;CC(CN)=C(F)CC(F)F;AYCUUYDKTHHEPP-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270686;MM270686;CC(CF)=C(F)CC(F)F;FKJIGTLSORMVTI-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270687;MM270687;COC(C)=C(C)CC(C)N;RWOQCSCLEYJCNK-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270688;MM270688;CC(C=O)=C(C)CC(C)C;OCJVVDSOWBTLSL-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270689;MM270689;C#CC(C#CC(F)F)=NN;VEUOTGITXVVHAT-UHFFFAOYSA-N;142.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270690;MM270690;C=CC(=C)N(N)C(=O)NC;OUULVJYLJCVQQE-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270691;MM270691;CC(C=O)=C(C)CC(C)F;WSPLOMUYAZEKOB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270692;MM270692;CC(C=O)=C(C)CC(F)F;XAOMNSIXBVVYRE-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270693;MM270693;CC(C#N)=C(N)CC(C)C;QQAZUEUQDXFJDC-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270694;MM270694;CC(C#N)=C(N)CC(F)F;YDUSEQBTSPNUIF-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270695;MM270695;CC(O)CC(N)=C(F)C=O;MSLGGDQPIVBMNO-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270696;MM270696;COCCN(C)N=CNO;KWWCPGCVQGAOBU-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270697;MM270697;N#CC(F)=C(N)CC(F)F;VPMHZNVGCKKMIW-UHFFFAOYSA-N;150.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270698;MM270698;CC(C=O)=C(F)CC(C)F;XAYKLGFGIDYHEX-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270699;MM270699;CC(C=O)=C(F)CC(F)F;RRQPJLZSOMMJRC-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270700;MM270700;CC(C=O)=C(C)NC(C)C;UMFIWAGYGVRHOE-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270701;MM270701;C=CC(C)=C(C)CN(C)C;JWMRZYQGYJOQOE-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270702;MM270702;CN(C)CC(F)=C(F)C=O;RVWBIBUPXIIKCX-UHFFFAOYSA-N;149.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270703;MM270703;CN(C)CC(F)=C(F)C#N;QBGWMABLVLMIKM-UHFFFAOYSA-N;146.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270704;MM270704;C#CC(C)=C(C)CC(F)F;PRMNRHUZZZVHSV-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270705;MM270705;C#CC(F)=C(F)CN(C)C;FCDCCGCWAZOVLU-UHFFFAOYSA-N;145.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270706;MM270706;C=C(C)CC(C)=C(C)CN;PPDXZFVHUACVAI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270707;MM270707;CC(=O)CC(C)=C(C)CF;UGTWUBKGOQTLBK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270708;MM270708;CCC(C)=C(C)CC(=N)N;ACXRWBCOAIZNCQ-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270709;MM270709;CC(CN)=C(C)CC(=N)N;KXVNBJZFRJONAC-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270710;MM270710;CC(CO)=C(C)CC(=N)N;VPWFGTVWXLPXSF-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270711;MM270711;CC(CF)=C(C)CC(=N)N;WYJWYYWRKCMJBC-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270712;MM270712;C#CCCN(C)N=CNO;KARRDRQBWVDZRD-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270713;MM270713;CCC(C)=C(C)CC(=O)O;MMWHMSCZTCZHKJ-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270714;MM270714;C=C(F)CC(C)=C(C)CN;DRZDTGAHIXGXQJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270715;MM270715;C=C(F)CC(C)=C(C)CF;KIFCTTKYUJPJOU-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270716;MM270716;CCC(F)=C(C)CC(=N)N;CCZRGQPCZFLBOB-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270717;MM270717;CC(CC(=N)N)=C(F)CF;OXVABUZLLDXXHL-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270718;MM270718;CCC(F)=C(C)CC(N)=O;LQOVSSZMLKDBKJ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270719;MM270719;CCC(F)=C(C)CC(=O)O;UWFWZCHCVLDGRP-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270720;MM270720;C=C(C)CC(F)=C(C)CN;HYGMQYFFUBIFEH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270721;MM270721;C=C(C)CC(F)=C(C)CO;ASUJDMSXGPJWIJ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270722;MM270722;C=C(C)CC(F)=C(C)CF;JHSOWAJGTCCAHM-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270723;MM270723;CCC(C)=C(F)CC(=N)N;KHINOOSWVDIANO-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270724;MM270724;CC(CF)=C(F)CC(=N)N;HFYUDZJWGJVMIM-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270725;MM270725;CCC(C)=C(F)CC(N)=O;VGNJDEUYWJJGHZ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270726;MM270726;CC(CN)=C(F)CC(N)=O;FLVDMOILTUDODV-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270727;MM270727;CC(CF)=C(F)CC(N)=O;ANEHTEYODJQNIR-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270728;MM270728;CCC(C)=C(F)CC(=O)O;QGCQTJHBQBMGDW-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270729;MM270729;CC(CF)=C(F)CC(=O)O;KCUBCDGYTVCGMC-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270730;MM270730;C=C(F)CC(F)=C(C)CN;LEOBTKYOCPUOHZ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270731;MM270731;NC(=O)CC(F)=C(F)CO;FTAAUCILIRPPGJ-UHFFFAOYSA-N;151.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270732;MM270732;COC(C)=C(C)CC(C)=O;SKJNHQNKUCAGPA-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270733;MM270733;COC(C)=C(C)CC(=N)N;MQPYWCZPOUHMIM-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270734;MM270734;COC(C)=C(C)CC(N)=O;NDXHKDWAVRQJTI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270735;MM270735;COC(C)=C(F)CC(C)=O;MPVKQKIPSAMLPA-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270736;MM270736;COC(C)=C(F)CC(=N)N;HYXKOAJBZHWFLA-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270737;MM270737;CC(=N)NC(C)=C(C)CN;NRJIHERAWNRHMF-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270738;MM270738;CCC(C)=C(C)NC(C)=O;NGVVYTULVMLMJX-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270739;MM270739;CC(=O)NC(C)=C(C)CF;LYWLWNXHBYNOAY-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270740;MM270740;CCC(C)=C(C)NC(=N)N;DHGXBBYIRRJNGM-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270741;MM270741;CC(CN)=C(C)NC(=N)N;OXNYOVIKRRZWGJ-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270742;MM270742;CC(CO)=C(C)NC(=N)N;RCXHJSBNBHLTHH-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270743;MM270743;CCC(C)=C(C)NC(N)=O;XFTNMYWOHPRVBX-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270744;MM270744;CC(CN)=C(C)NC(N)=O;BHFBUKBFGZWXAR-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270745;MM270745;CC(CO)=C(C)NC(N)=O;NETPPELZYMVZOX-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270746;MM270746;CCC(F)=C(C)NC(=N)N;FVPMEEADHMGGAD-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270747;MM270747;CC(NC(=N)N)=C(F)CF;VGZDXBZQLGEDSE-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270748;MM270748;CCC(F)=C(C)NC(N)=O;FCDYXFSFUWMVHT-UHFFFAOYSA-N;146.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270749;MM270749;COC(C)=C(C)NC(=N)N;OGICBFYQDKAVEI-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270750;MM270750;CC(=O)OC(C)=C(C)CF;BZNWTCGKYUVPAF-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270751;MM270751;COC(C)=C(C)OC(C)=O;AKOVZZBNCXVOAZ-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270752;MM270752;C=C(C)CC(C)=C(C)C=O;VMGPJPXCJZIKAH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270753;MM270753;C=CC(C)=C(C)CC(=N)N;JUFVJABSUGMPHO-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270754;MM270754;CC=CCN(C)N=CNO;XXNDKWXFPUYLAD-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270755;MM270755;CC(C=O)=C(C)CC(N)=O;VKWOEHGBWOFVGH-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270756;MM270756;C=CC(C)=C(C)CC(=O)O;JMYYIJMNKBTCLN-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270757;MM270757;CC(C#N)=C(C)CC(=O)O;FVZSACRHYOWESB-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270758;MM270758;C=C(F)CC(C)=C(C)C=O;LQROQYPQUFALHR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270759;MM270759;CC(=O)CC(N)=C(C)C=O;CPCUYZNISPIKMT-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270760;MM270760;N#CC(F)=C(N)CC(N)=O;VJPFNXOCZVQKFK-UHFFFAOYSA-N;143.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270761;MM270761;C=C(C)CC(F)=C(C)C=O;FEZDEXWWDXDKIR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270762;MM270762;C=CC(C)=C(F)CC(=N)N;DALKOGVIQQMKMY-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270763;MM270763;C=CC(C)=C(F)CC(N)=O;ADOKYIUQMWECKB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270764;MM270764;C=C(F)CC(F)=C(C)C=O;WADKPGGLXKSXSA-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270765;MM270765;CC(=O)CC(F)=C(F)C#N;CNUDZBLUKXVITK-UHFFFAOYSA-N;145.11;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270766;MM270766;N#CC(F)=C(F)CC(=N)N;SLBWPZVBTRQTOH-UHFFFAOYSA-N;145.11;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270767;MM270767;N#CC(F)=C(F)CC(N)=O;FMOJADQBZAJJDO-UHFFFAOYSA-N;146.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270768;MM270768;C=CC(C)=C(C)NC(C)=N;VBMFNKYNWRLNOU-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270769;MM270769;C=CC(C)=C(C)NC(C)=O;UMPJFPMYHDQCNY-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270770;MM270770;CC(=O)NC(C)=C(C)C#N;DFYWAKFSFONLPY-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270771;MM270771;CC(C#N)=C(C)NC(=N)N;RLKXXQDKTAZBIV-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270772;MM270772;CC(C=O)=C(C)NC(N)=O;XGWYKEFDMDPWIK-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270773;MM270773;CC(=N)NC(C)=C(F)C#N;RWZAZWKURDAQBT-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270774;MM270774;CC(NC(=N)N)=C(F)C=O;XRIMZNPSXZKILF-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270775;MM270775;CC(NC(N)=O)=C(F)C#N;WVKCEKILBLBCME-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270776;MM270776;CON=CN(C)N=CNO;HBZQYAZQPBUJOG-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270777;MM270777;CC(C#N)=C(N)NC(=N)N;ZIZISENWYJONJU-UHFFFAOYSA-N;139.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270778;MM270778;CC(C=O)=C(N)NC(N)=O;PXBOYIWCMRITRT-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270779;MM270779;CC(=N)NC(N)=C(F)C=O;PRRZREMBYZDCEJ-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270780;MM270780;CC(=O)NC(N)=C(F)C=O;SDSZJJWKGSKTOS-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270781;MM270781;N=C(N)NC(N)=C(F)C=O;FLGNPDFHABSUAS-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270782;MM270782;NC(=O)NC(N)=C(F)C=O;TZDNEUXNHICKOC-UHFFFAOYSA-N;147.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270783;MM270783;C=C(C)OC(C)=C(C)C=O;VTEZMHIFMJDDOJ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270784;MM270784;CC(=O)OC(C)=C(F)C#N;QTRVCLFGHYGIDP-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270785;MM270785;C=C(C)OC(N)=C(C)C#N;MVNKMFBFSQTAAW-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270786;MM270786;CC(=O)OC(N)=C(C)C=O;MNFQACFWTHPGNB-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270787;MM270787;C=C(C)OC(N)=C(F)C#N;LEVKCNIFNXIXEB-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270788;MM270788;C#CC(C)=C(C)CC(=C)C;CBXCOEGNLDFJDV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270789;MM270789;C#CC(C)=C(C)CC(=N)N;YPVLKWHIXNLTNP-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270790;MM270790;C#CC(C)=C(C)CC(N)=O;YHHUBSAIXQNNHU-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270791;MM270791;C#CC(C)=C(F)CC(=O)O;JZAHAGLRCIHAQR-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270792;MM270792;C#CC(F)=C(F)CC(C)=O;YVUYRCJYLVNVMB-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270793;MM270793;C#CC(F)=C(F)CC(=N)N;YJLYJMTWXJKWKM-UHFFFAOYSA-N;144.12;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270794;MM270794;C#CC(F)=C(F)CC(N)=O;VNQLBPOKNYPNMB-UHFFFAOYSA-N;145.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270795;MM270795;C#CC(C)=C(C)NC(C)=O;BNEIHCOQILFZIF-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270796;MM270796;C#CC(C)=C(C)NC(=N)N;GODPFUWZPHDJAU-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270797;MM270797;CC(C)=CC(C)=C(C)CN;PVTXZHWQMKTZHY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270798;MM270798;CC(F)=CC(C)=C(C)CN;FPEWFVOSHNQQEQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270799;MM270799;CC(F)=CC(C)=C(C)CF;MKOLNEGDUSVMSS-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270800;MM270800;CCC(C)=C(C)C=C(F)F;UTRIUHNBFAMXKM-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270801;MM270801;CC(C=C(F)F)=C(C)CN;AZMLVEIBZIESHC-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270802;MM270802;CC(C=C(F)F)=C(C)CF;BWMQCUQIHPWDEK-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270803;MM270803;CC(C)=CC(F)=C(C)CN;YPQVZCHTRXJTCQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270804;MM270804;CC(C)=CC(F)=C(C)CF;KLRXOZPMZMABCN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270805;MM270805;CC(F)=CC(F)=C(C)CN;OVXSAMOFRMKPSS-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270806;MM270806;CC(CN)=C(F)C=C(F)F;OHPWRCTVBIBSIP-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270807;MM270807;CC(CF)=C(F)C=C(F)F;PFZOYPVLOKJNLG-UHFFFAOYSA-N;154.11;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270808;MM270808;CC(F)=CC(C)=C(C)C=O;CYWCSGGEGQEHAR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270809;MM270809;CC(C=O)=C(C)C=C(F)F;MIEBVVTZZMLMGH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270810;MM270810;CC(C)=CC(N)=C(C)C=O;XNODMTRZGDQGFS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270811;MM270811;CC(C)=CC(F)=C(C)C=O;FYXCGSXXYLRSOU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270812;MM270812;CC(F)=CC(F)=C(C)C=O;OTIRFVPOHJFLMH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270813;MM270813;CCCC1CC(C)(CC)C1;YZPOCWYEVUUJNM-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270814;MM270814;CCCC1CC(C)(CN)C1;XSYQSZFUQQZJRQ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270815;MM270815;CC1(CN)CC(CCN)C1;BLVVGFYVPINCIN-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270816;MM270816;CC1(CN)CC(CCO)C1;VLZDVGRUVFEVCP-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270817;MM270817;CN(C=NC=O)N=CNO;LYGJZABRCQGEKX-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270818;MM270818;CC1(CO)CC(CCN)C1;ROIAFHYDOKRSNI-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270819;MM270819;CCCC1CC(C)(CF)C1;IAYVQLMSMMTREV-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270820;MM270820;CC1(CF)CC(CCN)C1;XZWBIHXIGHYDAO-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270821;MM270821;C=NN=CN(C)N=CNO;HWAJBSNBGFTXBJ-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270822;MM270822;CCC1(N)CC(CCN)C1;LSXZWPPKVNQEHQ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270823;MM270823;CCC1(N)CC(CCO)C1;CWOUWYSHMNNHSR-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270824;MM270824;NCCC1CC(N)(CN)C1;IOIMCOJVMXVMLQ-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270825;MM270825;CCCC1CC(N)(CO)C1;HZIYQMIVYGRXHS-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270826;MM270826;NCCC1CC(N)(CO)C1;YMVPJZLLHTWCTN-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270827;MM270827;CCCC1CC(N)(CF)C1;WWEPMTYUFGWPJK-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270828;MM270828;CN(N=CNO)C(=N)CF;PTCLEPMQWCOIIJ-UHFFFAOYSA-N;148.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270829;MM270829;CCC(=O)N(C)N=CNO;TWXMCPUBVVPNTP-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270830;MM270830;CCCC1CC(O)(CN)C1;WYFVWROEECIRPJ-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270831;MM270831;NCCC1CC(O)(CN)C1;HCGQEWRMSHBKHR-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270832;MM270832;CCCC1CC(O)(CO)C1;HXHMPZXZXHGEQD-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270833;MM270833;CCCC1CC(O)(CF)C1;UUYMFQVZZDQCEU-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270834;MM270834;NCCC1CC(O)(CF)C1;RPYZMBXLGLNJED-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270835;MM270835;CCCC1CC(F)(CC)C1;OGTBIYFHRICHIK-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270836;MM270836;CCC1(F)CC(CCN)C1;TYOPTRBTOOOERG-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270837;MM270837;CCCC1CC(F)(CN)C1;PCLVCPIGXBKALT-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270838;MM270838;NCCC1CC(F)(CF)C1;CYEHFAXAVOZLIB-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270839;MM270839;CNCC1CC(C)(CN)C1;AOHXZSAHOOSVKO-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270840;MM270840;CNCC1CC(N)(CN)C1;UNUCJIWSAUFTKD-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270841;MM270841;CNCC1CC(N)(CO)C1;WTQFFAYKUDNOKD-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270842;MM270842;CNCC1CC(O)(CN)C1;UDDQHHQOVASSLS-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270843;MM270843;CCC1(F)CC(CNC)C1;FMESGCXVTFSQHU-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270844;MM270844;CCCC1CC(C)(NC)C1;OOBUTJNHKUZAFH-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270845;MM270845;CNC1(C)CC(CCN)C1;PSTNXMJRCSVAGR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270846;MM270846;CCCC1CC(C)(OC)C1;BKKYFPFVVAFPBP-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270847;MM270847;CNCC1CC(C)(OC)C1;VMVWYQBPNMAIIX-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270848;MM270848;CCNC1CC(C)(CC)C1;JLILCGRBBGXESR-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270849;MM270849;CCNC1CC(C)(CN)C1;BMWGWNQBVJORBJ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270850;MM270850;CCNC1CC(N)(CC)C1;BHRBTJMTPWENLR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270851;MM270851;CCNC1CC(N)(CN)C1;MMSJJZCYXCDIET-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270852;MM270852;CCNC1CC(N)(CO)C1;UOSBPPBPVQFXDB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270853;MM270853;CCNC1CC(O)(CC)C1;NPXPNIMLYDJCKB-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270854;MM270854;CCNC1CC(O)(CF)C1;GIAOJNGOPWNECP-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270855;MM270855;CCNC1CC(C)(NC)C1;WBDYEMUBBFWJRW-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270856;MM270856;CCNC1CC(C)(OC)C1;BOZIMKMZLIYBSK-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270857;MM270857;CCCC1CC(C)(CC)N1;CYMVBISMIZENMG-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270858;MM270858;CCCC1CC(C)(CN)N1;BDVDSUMXEBZNMA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270859;MM270859;CC1(CN)CC(CCN)N1;LGZVHPWETUWBOH-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270860;MM270860;CCCC1CC(C)(CO)N1;ORWNILADFHSZJM-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270861;MM270861;CCCC1CC(C)(CF)N1;INQLYFXFVFZRTB-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270862;MM270862;CCCC1CC(C)(CC)O1;OLMLQUMCBYBSCX-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270863;MM270863;CCCC1CC(C)(CN)O1;OBXVCDOVYCHUDG-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270864;MM270864;CCCC1CC(C)(CO)O1;MHHDAHWIYIXZRO-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270865;MM270865;CCCN1CC(C)(CC)C1;CBJCAILIKBPXKU-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270866;MM270866;CCC1(C)CN(CCN)C1;PGSDTYPXFPDUJJ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270867;MM270867;CCCN1CC(C)(CN)C1;IOLSIZQPHJKOGA-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270868;MM270868;CCCN1CC(N)(CC)C1;GZCXRVIMADOLJK-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270869;MM270869;CCCN1CC(N)(CN)C1;ZAXDJHTZWPSMBS-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270870;MM270870;CCCN1CC(N)(CO)C1;QSNOUHLBCBIMOU-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270871;MM270871;CCC1(F)CN(CCN)C1;RYZBKPSOCGNTGK-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270872;MM270872;C=CC(=O)N(C)N=CNO;VVCRNVUZGIHLND-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270873;MM270873;CCCN1CC(F)(CF)C1;QMMAXDSAIOHDRS-UHFFFAOYSA-N;149.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270874;MM270874;CCCN1CC(C)(NC)C1;RZUSGOPDANXVPF-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270875;MM270875;COC1(C)CN(CCN)C1;QTRMLRZXCDZNFI-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270876;MM270876;C=CCC1CC(C)(CC)C1;RPALMSBTNSDWAZ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270877;MM270877;CCC1(C)CC(CC=O)C1;BVRJPAYXLLZEJQ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270878;MM270878;CCC1(C)CC(CC#N)C1;CXUVPWONPGVACW-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270879;MM270879;C=CCC1CC(C)(CN)C1;JWTJHCXXCWYNDG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270880;MM270880;C=CCC1CC(C)(CF)C1;WCDHXGMVTUJJKE-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270881;MM270881;CC1(CF)CC(CC=O)C1;CEIZPFFTQSFSJI-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270882;MM270882;CC1(CF)CC(CC#N)C1;IOBNNLNPMKKTIQ-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270883;MM270883;C=CCC1CC(N)(CC)C1;CPLKMHLUPJINCT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270884;MM270884;C=CCC1CC(N)(CN)C1;BSMFJGQPKXCPSR-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC2";;;;;;;1.72;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270885;MM270885;C=CCC1CC(N)(CO)C1;KDNGNJBNCNBLQB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270886;MM270886;C=CCC1CC(N)(CF)C1;PEIWPSVGDZHRGK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270887;MM270887;C=C(OC=NN)C(C)CO;UJKJZZSUZDNOKU-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270888;MM270888;C=CCC1CC(O)(CN)C1;GHAJQILOEKCYFR-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270889;MM270889;C=CCC1CC(O)(CO)C1;RUCBWECPKYNPJV-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270890;MM270890;N#CCC1CC(O)(CO)C1;CZGMEMOSWNJCRS-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270891;MM270891;C=CCC1CC(O)(CF)C1;FDXJBPZJNKKKKN-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270892;MM270892;C=CCC1CC(F)(CC)C1;ZAWQWYXBIFTJPX-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270893;MM270893;CCC1(F)CC(CC#N)C1;XLTHHPMHROYMCG-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270894;MM270894;C=CCC1CC(F)(CN)C1;UWSLBPKCIVGNSO-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270895;MM270895;C=CCC1CC(F)(CO)C1;GOWHJRFLSJUHSA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270896;MM270896;N#CCC1CC(F)(CO)C1;ASGXTEIBGCDSQV-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270897;MM270897;O=CCC1CC(F)(CF)C1;RNGSSQNNKODBIW-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270898;MM270898;N#CCC1CC(F)(CF)C1;OHGGUQRFYIRABY-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270899;MM270899;C=CCC1CC(C)(NC)C1;AYCMHUKLDTZXJV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270900;MM270900;CNC1(C)CC(CC=O)C1;HFVIAHCYHJQJMI-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270901;MM270901;CNC1(C)CC(CC#N)C1;ALWUMXFIWRRKOZ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270902;MM270902;C=CCC1CC(C)(OC)C1;BTZFCLNAVMKIBC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270903;MM270903;COC1(C)CC(CC#N)C1;INORVTUGNVPNHW-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270904;MM270904;CCC1(C)CC(NC=N)C1;XQHBQRQDTONXNC-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270905;MM270905;CC(=NN)N(C)N=CNO;KCBMLLQNLWOVND-UHFFFAOYSA-N;145.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270906;MM270906;CC1(CN)CC(NC=N)C1;DXRGIACXIYSYKI-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270907;MM270907;CC1(CO)CC(NC=N)C1;IGEPQUXWCQNKSS-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270908;MM270908;CC1(CF)CC(NC=N)C1;PRLMUCUKNRTBLS-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270909;MM270909;CCC1(N)CC(NC=N)C1;MTKRAKTZRWSDME-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270910;MM270910;N=CNC1CC(N)(CN)C1;MGFZSVDVZOSUPV-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270911;MM270911;N=CNC1CC(N)(CO)C1;UVXJQOVWSGDGDI-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270912;MM270912;N=CNC1CC(O)(CN)C1;CCVUOFTXMADQCN-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270913;MM270913;N=CNC1CC(O)(CO)C1;ORUPPKSXFZUCGT-UHFFFAOYSA-N;144.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270914;MM270914;N=CNC1CC(O)(CF)C1;JBHBTXPSVHZGJA-UHFFFAOYSA-N;146.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270915;MM270915;CCC1(F)CC(NC=N)C1;OSDZGSGUWDFUKQ-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270916;MM270916;N=CNC1CC(F)(CO)C1;CTRCDDRTHXYWNV-UHFFFAOYSA-N;146.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270917;MM270917;N=CNC1CC(F)(CF)C1;OVTCQSWTZDLVIK-UHFFFAOYSA-N;148.16;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270918;MM270918;C=NNC1CC(C)(CC)C1;JMDGARBPFHBOLY-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270919;MM270919;C=NNC1CC(C)(CN)C1;QQULAHVJQUIROK-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270920;MM270920;C=NNC1CC(C)(CF)C1;NPCSJLYYUYOFBS-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270921;MM270921;C=NNC1CC(N)(CC)C1;MWASBPULEGQRHK-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270922;MM270922;C=NNC1CC(N)(CN)C1;XWDGJVOIBSNQIW-UHFFFAOYSA-N;142.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270923;MM270923;C=NNC1CC(N)(CO)C1;OWDLUSMYJXPSTK-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270924;MM270924;C=C(CNN=CNO)OC;KUAVIJIIEFWSCO-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270925;MM270925;C=NNC1CC(O)(CN)C1;KANAWPSPTIUAPD-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270926;MM270926;C=NNC1CC(F)(CC)C1;BOSCDTVDSFJBTD-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270927;MM270927;C=NNC1CC(F)(CF)C1;ZVFGSTPHGWZHBQ-UHFFFAOYSA-N;148.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270928;MM270928;CNC1(C)CC(NC=N)C1;TUYLNKGANAWMQL-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270929;MM270929;C=NNC1CC(C)(NC)C1;QHNXKGKVXJHQLF-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270930;MM270930;COC1(C)CC(NC=N)C1;LJGGDNXIHZASSI-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270931;MM270931;C=NNC1CC(C)(OC)C1;OTIJGJFOIJKMSR-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270932;MM270932;C=COC1CC(C)(CC)C1;NJTBOGXOQICLSW-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270933;MM270933;C=COC1CC(C)(CN)C1;CFEWZURNHVSFCC-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270934;MM270934;C=COC1CC(C)(CO)C1;YAQDXVWWDLWJOT-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270935;MM270935;C=COC1CC(N)(CC)C1;LYVYPCKBHHFYHW-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270936;MM270936;C=COC1CC(N)(CN)C1;KOHRJXBXGBGRAY-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270937;MM270937;C=COC1CC(O)(CC)C1;SCBBHXZDBZZBNH-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270938;MM270938;C=COC1CC(O)(CN)C1;XIFZZMAHESDKBC-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270939;MM270939;C=COC1CC(O)(CO)C1;GGUBFPVEPLMKHR-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270940;MM270940;C=COC1CC(O)(CF)C1;MCAPIAYGOPBACB-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270941;MM270941;C=COC1CC(F)(CN)C1;VYAFQMFYMBJWNJ-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270942;MM270942;C=COC1CC(F)(CF)C1;VIVYQEKLIKOLJF-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270943;MM270943;C=NOC1CC(C)(CC)C1;FTXZNWMSJZQPLI-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270944;MM270944;CC(C=NOCC=O)CO;IKIFBGJHQRJBFL-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270945;MM270945;C=COC1CC(C)(NC)C1;UZTGBTYLWIFFQM-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270946;MM270946;C=COC1CC(C)(OC)C1;SLQSGJPQLSWTAL-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270947;MM270947;C=CCC1CC(C)(CC)N1;PUCFXQGNTUTYQB-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270948;MM270948;CCC1(C)CC(CC#N)N1;NLSXAXZQNNYXRB-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270949;MM270949;C=CCC1CC(C)(CN)N1;KGZIGLHTAFUGLC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270950;MM270950;C=CCC1CC(C)(CC)O1;CKTRCNINXQQWHR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270951;MM270951;C=CCC1CC(C)(CN)O1;ZQTMPPCXIFNCAI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270952;MM270952;C=CCC1CC(C)(CF)O1;DVQBCPUTFAPCIS-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270953;MM270953;C=CCN1CC(C)(CC)C1;BWLGKFOCHKTZLR-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270954;MM270954;CCC1(C)CN(CC#N)C1;WBUYBUXQDXHGGM-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270955;MM270955;CC(C#N)=CNN=CNO;BWWRDBHCNCYBAZ-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270956;MM270956;CC1(CF)CN(CC#N)C1;RNYCREHPYMVIGF-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270957;MM270957;C=CCN1CC(N)(CN)C1;YTCHCCVYOPBKTF-UHFFFAOYSA-N;141.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270958;MM270958;C=CCN1CC(N)(CO)C1;XZXZKYYPISEFAW-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270959;MM270959;CN(N=CNO)C1(C)CC1;HJIRBVIOVJZVSH-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270960;MM270960;C=CCN1CC(O)(CN)C1;LQBIKAQZVOSZRB-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270961;MM270961;CON=C(C=O)C(C)CO;JYTPEUSGAIGZPK-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270962;MM270962;C=NNCC(CO)COC;BVIYSBDZFSDFAB-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270963;MM270963;C=CCN1CC(F)(CC)C1;KMYYJCFZTQQHBV-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270964;MM270964;CCC1(F)CN(CC#N)C1;JDWPNJADATVSNJ-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270965;MM270965;C=CCN1CC(F)(CN)C1;VVDHAQAHSKPKBU-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270966;MM270966;C=CCN1CC(F)(CF)C1;PMQIGVGTARZGTO-UHFFFAOYSA-N;147.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270967;MM270967;N#CCN1CC(F)(CF)C1;YNRZXYGYLCGLNS-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270968;MM270968;COC1(C)CN(CC#N)C1;QQSOYHRCDLQPGH-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270969;MM270969;CCC1(C)CN(NC=N)C1;VZRAOSVFZBZFAG-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270970;MM270970;CC1(CN)CN(NC=N)C1;OGLQOQGSQZKPKY-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270971;MM270971;CC1(CO)CN(NC=N)C1;UJGBSMFWRZBRDF-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270972;MM270972;CC1(CF)CN(NC=N)C1;JTOBDUNERFQXBW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270973;MM270973;CCC1(N)CN(NC=N)C1;VUBSBZZTHGUFLJ-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270974;MM270974;N=CNN1CC(N)(CN)C1;HKOSDDADJIVJDJ-UHFFFAOYSA-N;143.19;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270975;MM270975;N=CNN1CC(N)(CO)C1;ZTSZVWQXTXOFFD-UHFFFAOYSA-N;144.18;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270976;MM270976;N=CNN1CC(O)(CO)C1;ADZXNCRSKQRXKS-UHFFFAOYSA-N;145.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270977;MM270977;N=CNN1CC(O)(CF)C1;MVYKKNDPKAXMEK-UHFFFAOYSA-N;147.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270978;MM270978;N=CNN1CC(F)(CN)C1;PSEHFJLLXIVPKG-UHFFFAOYSA-N;146.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270979;MM270979;N=CNN1CC(F)(CF)C1;WPNTZADTSJEICP-UHFFFAOYSA-N;149.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270980;MM270980;COC1(C)CN(NC=N)C1;XDISMIPSVLBSGX-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270981;MM270981;C#CCC1CC(C)(CC)C1;IFBJRKOFKSDUKF-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270982;MM270982;C#CCC1CC(C)(CF)C1;CXXIIXSZDCCLNA-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270983;MM270983;C#CCC1CC(N)(CC)C1;UZAYZIYONMPTEW-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270984;MM270984;C#CCC1CC(N)(CN)C1;IIBVFYVBUNNNEA-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270985;MM270985;C#CCC1CC(N)(CO)C1;OVBCWBGSEOLQMP-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270986;MM270986;C#CCC(CO)CON=C;VKQMMUOYSNZCDH-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270987;MM270987;C#CCC1CC(O)(CN)C1;KMDOWJMXEXGPRB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270988;MM270988;C#CCC1CC(F)(CC)C1;MFFHVICGPNTHRY-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270989;MM270989;C#CCC1CC(F)(CN)C1;QKDLWAQVSNWKEU-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270990;MM270990;C#CCC1CC(F)(CF)C1;AXCGPGIMELSDDX-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270991;MM270991;C#CCC1CC(C)(NC)C1;WYPMDFAXKVRPTM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270992;MM270992;C#CCC1CC(C)(OC)C1;BVPJAIJFBHEAIP-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270993;MM270993;C#CCN1CC(N)(CN)C1;NCQFUTDQJAKWIY-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270994;MM270994;C#CCN1CC(N)(CO)C1;BIDNFMMNYYPQSZ-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270995;MM270995;C#CCN1CC(O)(CN)C1;QGMMDSOPGLEYLP-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270996;MM270996;C#CCN1CC(F)(CC)C1;KMLZZBRXLQFUIR-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270997;MM270997;C#CCN1CC(F)(CN)C1;ITALLIJPQWVZFE-UHFFFAOYSA-N;142.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270998;MM270998;C#CCN1CC(F)(CF)C1;UBURNEXHCBRIAB-UHFFFAOYSA-N;145.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM270999;MM270999;C=CC1(C)CC(CCC)C1;ITKVLXPGJAGREA-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271000;MM271000;C=CC1(C)CC(CCN)C1;QAIBEKZVRXGKRS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271001;MM271001;CCN(CCF)N=CNO;SJQCLANLAMYGQJ-UHFFFAOYSA-N;149.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271002;MM271002;CCCC1CC(C)(C=O)C1;VIANMDBVTGFUQK-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271003;MM271003;C=CC1(N)CC(CCN)C1;QJQDPGDMJIFSLS-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271004;MM271004;N=CN(C=NN)N=CNO;GPZHCGVKMAZRAB-UHFFFAOYSA-N;144.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271005;MM271005;C=CC1(O)CC(CCN)C1;LCQICGGBNBHMTE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271006;MM271006;CCCC1CC(O)(C#N)C1;IWXXGZRERFGMOR-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271007;MM271007;C=CC1(F)CC(CCC)C1;GYMPWEJRDYIUQC-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271008;MM271008;C=CC1(F)CC(CCN)C1;LYIMFMQKAMIZEH-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271009;MM271009;C=CC1(C)CC(CNC)C1;MPTJRJKGIXMMKW-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271010;MM271010;CNCC1CC(C)(C=O)C1;ATZCYBWUMAVXEN-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271011;MM271011;CNCC1CC(O)(C=O)C1;DKLDJCAZWHHCCM-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271012;MM271012;CNCC1CC(O)(C#N)C1;LOYCOWHFKAPRAS-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271013;MM271013;C=CC1(F)CC(CNC)C1;LSERVLIBCLXDEB-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271014;MM271014;C=CC1(C)CC(NCC)C1;PNMHGULMPFCABT-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271015;MM271015;CCNC1CC(C)(C=O)C1;YYLXLYJMWYQNOJ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271016;MM271016;C=CC1(N)CC(NCC)C1;PZRCFXVCDNWOCN-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271017;MM271017;C=CC1(O)CC(NCC)C1;SLYMWUJBIGEBJI-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271018;MM271018;CCNC1CC(O)(C#N)C1;AQUPCRIRBGVIGY-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271019;MM271019;C=CC1(F)CC(NCC)C1;UTSJDGYJDIZEJX-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271020;MM271020;CCNC1CC(F)(C=O)C1;ZZICPJJEDMCJIC-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271021;MM271021;CCNC1CC(F)(C#N)C1;NNSBFGIBPWEGMF-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271022;MM271022;C=CC1(C)CC(CCC)N1;LYKIASQFOSBTEM-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271023;MM271023;C=CC1(C)CC(CCN)N1;AUTJVPQTFXOCDR-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271024;MM271024;CCCC1CC(C)(C=O)N1;SQONQZKMJAVCDZ-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271025;MM271025;C=CC1(C)CC(CNC)N1;QFFGFVINJOGMSW-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271026;MM271026;C=CC1(C)CC(CCC)O1;JDQAQSPNRWJSKS-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271027;MM271027;C=CC1(C)CN(CCC)C1;ICQRUDQFMMDHRM-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271028;MM271028;C=CC1(C)CN(CCN)C1;OEVKKXRFCCRUJL-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271029;MM271029;C=CC1(N)CN(CCC)C1;FEBSLDMXAIETSU-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271030;MM271030;CN=C(C)N(C=N)C(N)=O;MUOMWRXCZVMQQB-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271031;MM271031;C=NN(C=CCC)C(N)=O;HWYGFCXXDYTVJS-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271032;MM271032;C=CC1(F)CN(CCC)C1;SUVMNOQXMATFEA-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271033;MM271033;CCCN1CC(F)(C=O)C1;CMIIKBWVNHVOQR-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271034;MM271034;C=CC1(C)CC(CC#N)C1;ATUNFYHSWAZZII-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271035;MM271035;C=CCC1CC(C)(C=O)C1;NOBUJDDXEJPXQK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271036;MM271036;C=CCC1CC(C)(C#N)C1;KIIYMGKKJKBHNU-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271037;MM271037;CC1(C=O)CC(CC=O)C1;BHZCKKSKSUEIKD-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271038;MM271038;C=CCC1CC(N)(C=C)C1;SFONWKPXRTWOLQ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271039;MM271039;NC(=O)C(=CCC=O)CF;YEGFDGSNVVHJKK-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271040;MM271040;C#CC(CF)C(C#N)NC;ICGQFSFMBWJNPU-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271041;MM271041;C=CC(CO)CON=CC;OQSZSTHHTLGPQC-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271042;MM271042;C=CCC1CC(O)(C=O)C1;KKCSPNDYWCRHBS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271043;MM271043;C=CCC1CC(O)(C#N)C1;DYTDQUSEDQUAHJ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271044;MM271044;N#CCC1CC(O)(C=O)C1;UGZPXDZEBBRBKE-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271045;MM271045;N#CC1(O)CC(CC=O)C1;HFRZWGRYCROQDQ-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271046;MM271046;N#CCC1CC(O)(C#N)C1;FQWMPFRGJFQKAQ-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271047;MM271047;C=CCC1CC(F)(C=C)C1;WEZPFBLECVOXSZ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271048;MM271048;C=CC1(F)CC(CC#N)C1;LJHVJTHBSCOWRB-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271049;MM271049;C=CCC1CC(F)(C=O)C1;OKHZZDBHDIKDHD-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271050;MM271050;C=CCC1CC(F)(C#N)C1;IFLMCYSSGTWQSW-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271051;MM271051;N#CCC1CC(F)(C=O)C1;CDHMRZGWUNLNFX-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271052;MM271052;N#CCC1CC(F)(C#N)C1;VZBUBXIWRGPFJU-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271053;MM271053;C=CC1(C)CC(NC=N)C1;SIQWIHYUFUJUIK-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271054;MM271054;CC1(C=O)CC(N=CN)C1;NMWUQTYECOKWTA-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271055;MM271055;CC1(C#N)CC(NC=N)C1;WHZCEPWICVUIFQ-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271056;MM271056;NN=C(CF)NN=CNO;HGOLHMJWIBSPKW-UHFFFAOYSA-N;149.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271057;MM271057;CC1(C#N)CC(NC=O)C1;IMTMZEMOUJPLTA-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271058;MM271058;C=CC1(O)CC(NC=N)C1;GUTKHVBAMVCISR-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271059;MM271059;N#CC1(O)CC(NC=N)C1;BKPXAIIOQWDHHB-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271060;MM271060;C=CC1(F)CC(NC=N)C1;BGDYYOUFYGXBBJ-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271061;MM271061;N=CNC1CC(F)(C=O)C1;MIFGZZATRSGNDF-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271062;MM271062;N#CC1(F)CC(NC=N)C1;XXXYMDUXDQDEPL-UHFFFAOYSA-N;141.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271063;MM271063;C=CC1(C)CC(NN=C)C1;PACLCAJZQWGPQQ-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271064;MM271064;C=NNC1CC(C)(C=O)C1;DTUDTKLGHKOFLN-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271065;MM271065;C#CC(=NN)NN=CNO;FNPMZLOXZQVURT-UHFFFAOYSA-N;141.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271066;MM271066;C=CC1(N)CC(NN=C)C1;MURJHAQNFCJNAW-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271067;MM271067;CCC1(NN=CNO)CC1;LPYBAHVVYGFHMY-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271068;MM271068;C=NN(CC)CC1CC1O;RCSCKAOFJWKMJN-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271069;MM271069;CNN(C=O)CC1CC1O;WTNUEXZRTWVFDF-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271070;MM271070;C=COC1CC(C)(C=C)C1;DYODUBHWJJAWRW-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271071;MM271071;C=COC1CC(C)(C=O)C1;WSFHDAYAFXMWEM-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271072;MM271072;C=COC1CC(C)(C#N)C1;BDZZYTBPQFKHFF-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271073;MM271073;C=COC1CC(O)(C=C)C1;SUBVVFVXNWGHGJ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271074;MM271074;C=COC1CC(O)(C=O)C1;ZAZOGBNYWNXGQH-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271075;MM271075;C=COC1CC(O)(C#N)C1;FCLMZOWJSLPYNW-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271076;MM271076;C=COC1CC(F)(C=O)C1;JNNUIZYVTCMXEA-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271077;MM271077;C=COC1CC(F)(C#N)C1;XLPVJVYWQUHDOW-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271078;MM271078;C=NOC1CC(C)(C=O)C1;HKCGVYRIXKICHC-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271079;MM271079;C=CCC1CC(C)(C=O)N1;LZGMMPQKIKLAQC-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271080;MM271080;C=CCC1CC(C)(C#N)N1;BSUYLKCUDQVCML-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271081;MM271081;N=CN(C=O)CC1CC1O;VRZPBJPHZKJGPW-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271082;MM271082;C=CC1(C)CC(CC#N)O1;AEEDBSSLLFQHAX-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271083;MM271083;C=CCC1CC(C)(C=O)O1;IICBUWZTESBAGV-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271084;MM271084;CC1(C=O)CC(CC#N)O1;KTFXTCGTYZREDH-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271085;MM271085;CC1(C#N)CC(CC#N)O1;INTVHCDYUJDYNQ-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271086;MM271086;C=CC1(C)CN(CC#N)C1;BKUUAKFFXAGITM-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271087;MM271087;C=CCN1CC(N)(C=C)C1;HECBPUMKNAORLP-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271088;MM271088;C=NN(C=N)CC1CC1O;BNDNEQATGVHURQ-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271089;MM271089;C=NN(C=O)CC1CC1O;MJXOPRNTKWNHDI-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271090;MM271090;CCc1c[nH]c(N=O)c1N;GWECHAJJHRIRDC-UHFFFAOYSA-N;139.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271091;MM271091;N#CCN1CC(O)(C=O)C1;KUORWHWWRVDDPF-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271092;MM271092;N#CCN1CC(O)(C#N)C1;RNFSNKBSWSTMQU-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271093;MM271093;C=CCN1CC(F)(C=C)C1;DEKUNTDKGICQEP-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271094;MM271094;C=CCN1CC(F)(C=O)C1;HYSVUPVZDXBUKS-UHFFFAOYSA-N;143.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271095;MM271095;C=CCN1CC(F)(C#N)C1;JBRXPACHFLKNKT-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271096;MM271096;CC1(C=O)CN(N=CN)C1;AENXEEZJWHVBFD-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271097;MM271097;CC1(C#N)CN(NC=N)C1;HQYNHMHHOWAIMB-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271098;MM271098;C=CC1(N)CN(NC=N)C1;WKGOXXGOIUUQRM-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271099;MM271099;C=CC1(O)CN(NC=N)C1;GAMIDVXMGMAODL-UHFFFAOYSA-N;141.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271100;MM271100;NC=NN1CC(O)(C=O)C1;GIJPDSRXHNLUAC-UHFFFAOYSA-N;143.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271101;MM271101;N#CC1(O)CN(NC=N)C1;MFUPECYHQLPCIR-UHFFFAOYSA-N;140.15;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271102;MM271102;N=CNN1CC(F)(C=O)C1;IKKYJNRIOCLIQC-UHFFFAOYSA-N;145.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271103;MM271103;N#CC1(F)CN(NC=N)C1;OUSICVWWFNDPIX-UHFFFAOYSA-N;142.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271104;MM271104;C#CCC1CC(C)(C=O)C1;WOAASOLTQAFXFR-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271105;MM271105;C#CCC1CC(C)(C#N)C1;NKCIOJYKUOKAIW-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271106;MM271106;C#CCC1CC(N)(C=C)C1;NIOFJNMZARNASX-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271107;MM271107;CC1CC1CNN=CNO;QPDVPUHCCFYJEX-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271108;MM271108;C#CCC1CC(F)(C=C)C1;XYOZVZXCAFBXDM-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271109;MM271109;C#CCC1CC(C)(C=C)N1;VUBYFFNNQIASAY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271110;MM271110;C#CCC1CC(C)(C=O)N1;OGHWGGHKBZZUTL-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271111;MM271111;C#CCN1CC(C)(C#N)C1;XRTBFAYDAFNWDG-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271112;MM271112;C#CCN1CC(N)(C=C)C1;POQHCZXAQMXERE-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271113;MM271113;C#CCN1CC(F)(C=C)C1;GUGRUYMLAZWZMN-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271114;MM271114;C#CC1(C)CC(CCC)C1;JJEMJKIEJPUIQW-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271115;MM271115;C#CC1(C)CC(CCN)C1;UHZGJHDPUVNFLW-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271116;MM271116;C#CC1(N)CC(CCC)C1;ZDDXUWDWHZODMT-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271117;MM271117;C#CC1(N)CC(CCN)C1;FLHBQLSFIRBLBH-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271118;MM271118;C#CC1(N)CC(CCO)C1;RYCQBQSNTZJLIL-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271119;MM271119;C#CC1(F)CC(CCN)C1;YPKLZBHHUVJZAH-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271120;MM271120;C#CC1(N)CC(CNC)C1;SJZDDTWKXLUNSW-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271121;MM271121;C#CC1(F)CC(CNC)C1;TZKRNDPEJWDUDN-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271122;MM271122;C#CC1(C)CC(NCC)C1;XMHPTARSMSWSSD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271123;MM271123;C#CC1(N)CC(NCC)C1;AFOWTXWBSSXCHE-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271124;MM271124;C#CC1(O)CC(NCC)C1;JYMBSIANWGRUQF-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271125;MM271125;C#CC1(F)CC(NCC)C1;ZPKZFPPWXBUTFM-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271126;MM271126;C#CC1(C)CC(CCC)N1;AZWDHWWZHPLGME-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271127;MM271127;C#CC1(C)CC(CNC)N1;VQWKUKMXTOQDRP-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271128;MM271128;C#CC1(C)CN(CCC)C1;HUYGGNGHQIMJSW-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271129;MM271129;C#CC1(F)CN(CCC)C1;GKPZANPVXXEHAO-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271130;MM271130;C#CC1(C)CC(CC=C)C1;ODAKSVWEIIWDPU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271131;MM271131;C#CC1(C)CC(CC=O)C1;HVMPOJONXFMNSR-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271132;MM271132;C#CC1(C)CC(CC#N)C1;WPRSLFPRXPPQBN-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271133;MM271133;C#CC1(N)CC(CC=C)C1;MIMQMFZXINIGOW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271134;MM271134;C#CC1(O)CC(CC#N)C1;ROZMICWRRJAZCT-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271135;MM271135;C#CC1(F)CC(CC=C)C1;ZKQSXIHRYGDOEJ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271136;MM271136;C#CC1(F)CC(CC#N)C1;PBKOIHGFENYQKV-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271137;MM271137;C#CC1(O)CC(NC=N)C1;HPNQLKLRQORPPL-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271138;MM271138;C#CC1(O)CC(NC=O)C1;JMHSRFWGOLBGEW-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271139;MM271139;C#CC1(F)CC(NC=N)C1;SWVMUSVPMPGSDY-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271140;MM271140;C#CC1(C)CC(NN=C)C1;CUHLVFYLUHNVDZ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271141;MM271141;N#CC=CNCC1CC1O;JDANXYZTSNVMGW-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271142;MM271142;C#CC1(C)CC(OC=C)C1;PNPHQCRNLOZIDK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271143;MM271143;C#CC1(N)CC(OC=C)C1;HGMJWUXJHJLQJN-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271144;MM271144;C#CC1(O)CC(OC=C)C1;NSTWZQLYNWQMMC-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271145;MM271145;C#CC1(F)CC(OC=C)C1;RLDVYMXXXHVPKU-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271146;MM271146;C#CC1(C)CC(CC=C)N1;KWJJNNNVPULRHV-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271147;MM271147;C#CC1(C)CC(CC=O)N1;CMLILSLPXZONEZ-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271148;MM271148;C#CC1(C)CC(CC=C)O1;UWUPCXZKRWOQEK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271149;MM271149;C#CC1(C)CC(CC#N)O1;ZHJBMSVIUAYGKM-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271150;MM271150;C#CC1(C)CN(CC#N)C1;FVHAIUOMRHZVHC-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271151;MM271151;C#CC=NNCC1CC1O;XECSZWFTMLSQOM-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271152;MM271152;COCCCNN=CNO;CBSGSWWHOQOAOJ-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271153;MM271153;C#CC1(F)CN(CC=C)C1;UQSWEOJKNNBJDH-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271154;MM271154;C#CC1(C)CN(NC=N)C1;HFYACRSBADTHSY-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271155;MM271155;C#CC1(N)CN(NC=N)C1;CCRFNXFMOOUVTA-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271156;MM271156;C#CC1(O)CN(NC=N)C1;LTLHSYCKURLCBM-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271157;MM271157;C#CC1(F)CN(NC=N)C1;APMXAHABYHDOJF-UHFFFAOYSA-N;141.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271158;MM271158;C#CCC1CC(C)(C#C)C1;KIQFLANNLRFQKS-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271159;MM271159;C#CCC1CC(C)(C#C)N1;PFRQFWZJIVDVFZ-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271160;MM271160;C#CCC1CC(C)(C#C)O1;TZIDNVQNQOGHJK-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271161;MM271161;CCOCCNN=CNO;UPVAXMLFJFTOJQ-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271162;MM271162;CC=CC1CC(C)(CC)C1;IPTGIGDAHSVBIR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271163;MM271163;CC=CC1CC(C)(CN)C1;PDVZPDQJQPRHMR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271164;MM271164;CCC=CCNN=CNO;INFIFDJBDQNPKK-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271165;MM271165;CC=CC1CC(C)(CF)C1;QXGXNQRYLLVITM-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271166;MM271166;CC=CC1CC(N)(CC)C1;DPCRIIAPIJCSPR-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271167;MM271167;CC=CC1CC(N)(CN)C1;LJFNNNBUAWKABX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271168;MM271168;CC=CC1CC(N)(CO)C1;UYTCMBHEBDPNMM-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271169;MM271169;CC=CC1CC(N)(CF)C1;WDCMUDPNKYHYQZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271170;MM271170;CNN=CCNN=CNO;FEEAHIMDYQBWPK-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271171;MM271171;CC=CC1CC(O)(CN)C1;AVWFCEXBUKISIZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271172;MM271172;CC=CC1CC(O)(CF)C1;APTHIKCLWVADCZ-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271173;MM271173;CC=CC1CC(F)(CC)C1;DVJMTBZURFJKSU-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271174;MM271174;CC=CC1CC(F)(CN)C1;OQXPSUWCOLDOFD-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271175;MM271175;CC=CC1CC(F)(CO)C1;BXYLGJXRUAYAFI-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271176;MM271176;CC=CC1CC(F)(CF)C1;GXRWEZOXTXKWIH-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271177;MM271177;CON=CCNN=CNO;DBKHIUAQUIWLTR-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271178;MM271178;CC=CC1CC(C)(NC)C1;SQDCOPSARSFEMQ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271179;MM271179;CC=CC1CC(C)(OC)C1;RJYBAAXGWITDDC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271180;MM271180;CC=CC1CC(C)(CN)N1;AWBOBTWRBPTVAH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271181;MM271181;CC=CC1CC(C)(CO)N1;QZPPHRKCEJZKTH-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271182;MM271182;CC=CC1CC(C)(CC)O1;VQJOKZMEZDZWQM-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271183;MM271183;CC=CC1CC(C)(CN)O1;PBBPJCXSEGQKPG-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271184;MM271184;CC=CC1CC(C)(CO)O1;GEHCNMHXAIYIRQ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271185;MM271185;CC=CC1CC(C)(CF)O1;LIKBYTREWNQNPF-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271186;MM271186;CCC1(C)CN(C=NC)C1;HJUWAVBFUBBNLZ-UHFFFAOYSA-N;140.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271187;MM271187;CN=CN1CC(C)(CN)C1;ICDUKUIVBJAIGQ-UHFFFAOYSA-N;141.22;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271188;MM271188;CN=CN1CC(C)(CO)C1;VGMJPTSYNLYGFL-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271189;MM271189;CN=CN1CC(C)(CF)C1;RFYUJMCGVUVRRX-UHFFFAOYSA-N;144.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271190;MM271190;CCC1(N)CN(C=NC)C1;JRKDUOCITHRFFE-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271191;MM271191;CN=CN1CC(N)(CN)C1;YUVAJAMARFCYMX-UHFFFAOYSA-N;142.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271192;MM271192;CN=CN1CC(N)(CO)C1;RLVYFEVMURAGBT-UHFFFAOYSA-N;143.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271193;MM271193;CCC1(O)CN(C=NC)C1;MSSBQTFXKHJYFP-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271194;MM271194;CN=CN1CC(O)(CN)C1;PINDHVJBSUBCSP-UHFFFAOYSA-N;143.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271195;MM271195;CN=CN1CC(O)(CO)C1;UNWHZOWNKRYGSG-UHFFFAOYSA-N;144.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271196;MM271196;CN=CN1CC(O)(CF)C1;ZMZCQHMCRXOYPG-UHFFFAOYSA-N;146.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271197;MM271197;CCC1(F)CN(C=NC)C1;MFPISTWTLDJYCB-UHFFFAOYSA-N;144.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271198;MM271198;CN=CN1CC(F)(CF)C1;LZZFKMIOLRAGOB-UHFFFAOYSA-N;148.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271199;MM271199;CN=CN1CC(C)(NC)C1;IGESQAYIRAQWHN-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271200;MM271200;CN=CN1CC(C)(OC)C1;NPOOJHHRPUDYFH-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271201;MM271201;CC=NN1CC(C)(CC)C1;JYGIMXFKEQUVKW-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271202;MM271202;CC=NN1CC(C)(CN)C1;VDPNCQWQVNOEAK-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271203;MM271203;CCON=CNN=CNO;ZHFAKXIJKDCMRS-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271204;MM271204;CC=NN1CC(C)(CF)C1;JKAXBKLZNPCHJV-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271205;MM271205;CC=NN1CC(N)(CC)C1;JUUIHNYNSKQVHP-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271206;MM271206;CC=NN1CC(N)(CN)C1;AOPQAFWHVKXDCV-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271207;MM271207;NN=CC=CNN=CNO;CDLNYLXIFLGJET-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271208;MM271208;CC=NN1CC(O)(CN)C1;OKSSOAKMCGIDIV-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271209;MM271209;CN=NC=CNN=CNO;DTEZGZFEISHSSY-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271210;MM271210;CNN(CC=O)C(N)=O;SDQALHFFBJDVJX-UHFFFAOYSA-N;131.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271211;MM271211;CC=NN1CC(F)(CC)C1;MHECZHKEFXNLNQ-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271212;MM271212;CC=NN1CC(F)(CN)C1;LKFHYGAREXJGNW-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271213;MM271213;N#CCC(=CN)C(N)=O;LSSRFCMKAWODFX-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271214;MM271214;CC=NN1CC(F)(CF)C1;UNKDAOQGMBKWAO-UHFFFAOYSA-N;148.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271215;MM271215;CC=NN1CC(C)(OC)C1;UCDKUQILIKXYCB-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271216;MM271216;C=CC1(C)CC(C=CC)C1;LXIKYLLTEBEHGJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271217;MM271217;CC=CC1CC(C)(C#N)C1;HAIOXXALZBKORU-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271218;MM271218;Cc1cn(O)c(N)c1N;DKGRZBHJSXIKIK-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271219;MM271219;CC=CC1CC(O)(C=O)C1;BJJTXVZHBVWHKC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271220;MM271220;CC=CC1CC(O)(C#N)C1;ZWKMZODZEAGUAP-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271221;MM271221;C=CC1(F)CC(C=CC)C1;YAZMDAJNZJMJHY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271222;MM271222;CC=CC1CC(F)(C=O)C1;RLMQRZLFZAUEKV-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271223;MM271223;CC=CC1CC(F)(C#N)C1;JEYPUVVYKGHHMV-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271224;MM271224;C=CC1(C)CC(C=NN)C1;LWIOWPNAEBBSBA-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271225;MM271225;CC=CC1CC(C)(C#N)N1;BMTCHVFSOMQULT-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271226;MM271226;C=CC1(C)CC(C=CC)O1;AVBUXWWVEQPLNR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271227;MM271227;CC=CC1CC(C)(C=O)O1;PHGPEPIQQDDKPN-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271228;MM271228;CC=CC1CC(C)(C#N)O1;QMESXOPZTDFKAK-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271229;MM271229;C=CC1(C)CN(C=NC)C1;PBHYSUWXKBXFOV-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271230;MM271230;CN=CN1CC(C)(C=O)C1;BPFADERNOMFJHE-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271231;MM271231;CN=CN1CC(C)(C#N)C1;QDQQUVCIRIZQQA-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271232;MM271232;C=CC1(N)CN(C=NC)C1;POVRFMIRUJBPTK-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271233;MM271233;C=CC1(O)CN(C=NC)C1;VAMYJRVXVDAYKH-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271234;MM271234;CN=CN1CC(O)(C=O)C1;UGQASJQOYSFSLF-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271235;MM271235;CN=CN1CC(O)(C#N)C1;STNJDMQUIKPMJH-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271236;MM271236;C=CC1(F)CN(C=NC)C1;BDBRFMIOQXXCQI-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271237;MM271237;CN=CN1CC(F)(C=O)C1;VTOMDXBSXDRZSO-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271238;MM271238;CN=CN1CC(F)(C#N)C1;XRQXQMBEWPCKLQ-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271239;MM271239;C=CC1(C)CN(N=CC)C1;RXIZYYTVVIZPCV-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271240;MM271240;CC=NN1CC(C)(C=O)C1;PQVJSTTZWSRMEZ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271241;MM271241;CC=NN1CC(C)(C#N)C1;GJVKDHZKVVYXSY-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271242;MM271242;C=CCn1cnc(N)n1;BKDXKMFCDVSUKP-UHFFFAOYSA-N;124.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271243;MM271243;CCC(CO)C(C)=NN;SIRHLRDYSUGKHE-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271244;MM271244;CC=NN1CC(O)(C#N)C1;LSVDMXNLKPVUAL-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271245;MM271245;C=CC1(F)CN(N=CC)C1;DEDFNKIXVPYXEG-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271246;MM271246;CC=NN1CC(F)(C=O)C1;COGUXBNJWOEBSA-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271247;MM271247;CC=NN1CC(F)(C#N)C1;XIUNBBAEPWSKKB-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271248;MM271248;C#CC1(C)CC(C=CC)C1;PUPHITPHLCOGPA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271249;MM271249;C#CC1(N)CC(C=CC)C1;VHDCGGKHKIJEEG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271250;MM271250;C#CC1(O)CC(C=CC)C1;NXVUMKHNROPPRL-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271251;MM271251;C#CC1(F)CC(C=CC)C1;FIXNIEGPPVPKTQ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271252;MM271252;C#CC1(N)CC(C=NO)C1;SMKNEVMKVCCUMT-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271253;MM271253;C#CC1(C)CC(C=CC)N1;ABHKVIZERFMEFO-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271254;MM271254;C#CC1(C)CC(C=CC)O1;AYBAOWOZIBEUPI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271255;MM271255;C#CC1(C)CN(C=NC)C1;QRTWBOSJCZJPOS-UHFFFAOYSA-N;136.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271256;MM271256;C#CC1(N)CN(C=NC)C1;DFZMBDOWNKHEEV-UHFFFAOYSA-N;137.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271257;MM271257;C#CC1(O)CN(C=NC)C1;NDPLNLNJMIHDRH-UHFFFAOYSA-N;138.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271258;MM271258;C#CC1(F)CN(C=NC)C1;ATNKCIQGHSGTNS-UHFFFAOYSA-N;140.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271259;MM271259;C#CC1(C)CN(N=CC)C1;CIXALSMIOXEIHH-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271260;MM271260;C#CC1NC1C(=O)NC;JPAIBQSQAOCNIF-UHFFFAOYSA-N;124.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271261;MM271261;C#CC1(F)CN(N=CC)C1;DMWLDGIGPOMXPB-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271262;MM271262;CC#CC1CC(C)(CC)C1;NRQAFXZOIYTCMR-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271263;MM271263;CC#CC1CC(C)(CN)C1;LVGQHNJMUQRODJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271264;MM271264;CC(C=NN)CC(C)(C)O;LCRDDVIIECVTIE-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271265;MM271265;CC#CC1CC(C)(CF)C1;GQRDNLMQFWSPPS-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271266;MM271266;CC#CC1CC(N)(CC)C1;VXGZSIFADBQLEJ-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271267;MM271267;CC#CC1CC(N)(CN)C1;DMQIZBOQWIAWAZ-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271268;MM271268;CC#CC1CC(N)(CO)C1;FBTFPQBEAVYBID-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271269;MM271269;CC#CC1CC(N)(CF)C1;RIMRHJFQMFBZDZ-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271270;MM271270;CC(F)C(=N)N(C)C(N)=O;HPVXDQLIJLTEJZ-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271271;MM271271;CC#CC1CC(O)(CN)C1;GWNRDUPQHRMJJB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271272;MM271272;CC#CC1CC(O)(CO)C1;VYTCQYAKSHAZQI-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271273;MM271273;CC#CC1CC(O)(CF)C1;LQIKCDWOYMDJGD-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271274;MM271274;CC#CC1CC(F)(CC)C1;LUSZKTJTTZNZFB-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271275;MM271275;CC#CC1CC(C)(NC)C1;DZLOHIWYBWCHNZ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271276;MM271276;CC#CC1CC(C)(OC)C1;KVUJATSLPKVRBM-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271277;MM271277;CC#CC1CC(C)(CC)N1;XHOBACDNSYAIKH-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271278;MM271278;CC#CC1CC(C)(CO)N1;FKPSMUAWQQMNOU-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271279;MM271279;CC#CC1CC(C)(CC)O1;VUKHSKKTXOZJIG-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271280;MM271280;CC#CC1CC(C)(CN)O1;ORULSRATEXSLSC-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271281;MM271281;CC#CC1CC(C)(CO)O1;ZFIALXVPXPDJCL-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271282;MM271282;CC#CC1CC(C)(CF)O1;UYMDMTPKJSYCDR-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271283;MM271283;C=CC1(C)CC(C#CC)C1;NTMNEKPDEZSQFX-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271284;MM271284;CC#CC1CC(C)(C=O)C1;BMNMLOZAMRFUSH-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271285;MM271285;CC#CC1CC(C)(C#N)C1;CISLAVWCBHFMPY-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271286;MM271286;C=CC1(N)CC(C#CC)C1;QPYSAAJGPIGIPO-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271287;MM271287;CC(CCO)=NNCCO;MRMFLOADAAIKBT-UHFFFAOYSA-N;146.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271288;MM271288;CC#CC1CC(O)(C=O)C1;SMGIXRLBPJGHNP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271289;MM271289;CC#CC1CC(O)(C#N)C1;LEHYKNCYGKYXRN-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271290;MM271290;C=CC1(F)CC(C#CC)C1;MPYAWLKGFGLGQF-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271291;MM271291;CC#CC1CC(F)(C=O)C1;LNIXXOTYUHEQFW-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271292;MM271292;CC#CC1CC(F)(C#N)C1;IOVWVJKIQLRLJM-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271293;MM271293;C=CC1(C)CC(C#CC)N1;DORRMFMGRXOXPW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271294;MM271294;CC#CC1CC(C)(C#N)N1;MBVQDAZUQIJFCV-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271295;MM271295;C=CC1(C)CC(C#CC)O1;ZGXSCTQFUJHEKP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271296;MM271296;CC#CC1CC(C)(C=O)O1;STANANJFHXLCCD-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271297;MM271297;CC#CC1CC(C)(C#N)O1;QZJKNGCWFUUXFG-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271298;MM271298;C#CC1(C)CC(C#CC)C1;GZWYQGGNSMROSA-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271299;MM271299;C#CC1(N)CC(C#CC)C1;SPIQPVFYELNJSI-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271300;MM271300;C#CC1(O)CC(C#CC)C1;HFCOTYRFEGWULY-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271301;MM271301;C#CC1(F)CC(C#CC)C1;BPYKTGFAKYEMPY-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271302;MM271302;C#CC1(C)CC(C#CC)O1;ALMOCVYIJDEZTO-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271303;MM271303;CC(=O)C#CCC1(C)CC1;AUCSDOMPBTTXJL-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271304;MM271304;CC(=O)C#CCC1(C)CO1;LUTDDHZCWIFWNO-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271305;MM271305;CCCC(C)CC1(C)CC1;MAGJIFQRSKNAPA-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271306;MM271306;CCCC(N)CC1(C)CC1;HTAWOPKMODUESD-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271307;MM271307;C=NOCCN(N)C(N)=O;MXNIJMMOAIEGPI-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271308;MM271308;CCCC(N)CC1(N)CC1;HHBJZTNKZNUTNK-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271309;MM271309;NCCC(N)CC1(F)CC1;KSWUQCBIQCPJES-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271310;MM271310;CCOC(C)CC1(O)CC1;OKNCQZCZXLNURF-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271311;MM271311;CC(CCN)NC1(C)CC1;LAHLFBWTEFGUNA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271312;MM271312;CCCC(C)OC1(C)CC1;SCVJKCLIXIGAID-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271313;MM271313;CC(CCN)CC1(C)CN1;QNWQYEZXMLTGLQ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271314;MM271314;CCCC(N)CC1(C)CN1;VXGIZYVFCFICCS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271315;MM271315;CCCN(C)CC1(C)CN1;JMNCHPSZULIEAB-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271316;MM271316;CCCC(C)CC1(C)CO1;COLYHWWPNJYKOZ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271317;MM271317;CC1(CC(N)CCN)CO1;APVROMKHDWRGMC-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271318;MM271318;CCCC(O)CC1(C)CO1;XCFGECLXHMXECQ-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271319;MM271319;C=CCC(C)CC1(C)CC1;JQGOAEHIZZYLON-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271320;MM271320;C=CCC(N)CC1(C)CC1;DWJMMIQKCOVYOW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271321;MM271321;CC1(CC(O)CC#N)CC1;VMPBFHZIYWHTQQ-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271322;MM271322;C=CCC(C)CC1(N)CC1;TZWWTCDZVJAZMO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271323;MM271323;C=CCC(F)CC1(N)CC1;HCFHRWLHTDGUFS-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271324;MM271324;NC(=O)N(N)C=CCCO;GDSSMPHNZDXBNM-UHFFFAOYSA-N;145.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271325;MM271325;C=CCC(N)CC1(O)CC1;AFDFXXYSZLXOQE-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271326;MM271326;N#CCC(O)CC1(O)CC1;JDUBOUMFPQLCBI-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271327;MM271327;C=CCC(C)CC1(F)CC1;MTBQQDOMUXPHDL-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271328;MM271328;CC(CC#N)CC1(F)CC1;KNTRGARQIOGQSJ-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271329;MM271329;N#CCC(O)CC1(F)CC1;AUAZQUMLTVAWMA-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271330;MM271330;N#CCC(F)CC1(F)CC1;RETPFLSMBNBNNP-UHFFFAOYSA-N;145.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271331;MM271331;CC(CC1(C)CC1)NC=N;MQPFKAUXEOMMRJ-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271332;MM271332;CC(CC1(N)CC1)NC=N;FAPQKWOCTZTMMY-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271333;MM271333;CC(CC1(N)CC1)NC=O;FYVLSDBKQPICOI-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271334;MM271334;CC(CC1(F)CC1)NC=N;LDZCGEHUUAKFJP-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271335;MM271335;C=NNC(C)CC1(C)CC1;RSGRVGDTMDNDAY-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271336;MM271336;C=COC(C)CC1(N)CC1;DIJTWUJWAHCLEQ-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271337;MM271337;CN(CC#N)CC1(C)CC1;JFXAAJMIECOOKK-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271338;MM271338;CN(CC1(F)CC1)NC=O;FSIGUVKTHLOGIT-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271339;MM271339;C=CCC(N)CC1(C)CN1;OZFQEWZDJHRXTI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271340;MM271340;CC(CC1(C)CN1)NC=N;LCOWKRXTOIYNDU-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271341;MM271341;C=CCC(C)CC1(C)CO1;BMLBVZFNCWSJQG-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271342;MM271342;C=CCC(N)CC1(C)CO1;GYLPWYIGHJWZRQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271343;MM271343;CC1(CC(F)CC#N)CO1;AMHBQOYZKMTJDH-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271344;MM271344;CN(CC1(C)CO1)NC=O;WUQSPBKBXLFHON-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271345;MM271345;C#CCC(C)CC1(C)CC1;YSWBVBLYWZNEOL-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271346;MM271346;CN(C(=N)CC=O)C(N)=O;ZTWYSCUWORWOBZ-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271347;MM271347;C#CCC(C)CC1(N)CC1;YXZPETGRQOCOGC-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271348;MM271348;C#CCC(N)CC1(N)CC1;RIFWJDNOILNBQM-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271349;MM271349;C#CCC(N)CC1(O)CC1;LMPFJYKQJHKLOP-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271350;MM271350;C#CCC(O)CC1(O)CC1;OSXLRNXAISAKEK-UHFFFAOYSA-N;140.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271351;MM271351;C#CCC(C)NC1(C)CC1;DUKVEUVKJDUWMT-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271352;MM271352;C#CCC(N)CC1(C)CN1;BBPJUSUSCOSYNQ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271353;MM271353;C#CCC(N)CC1(C)CO1;CFUMFKUVJAFQRC-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271354;MM271354;C#CCC(O)CC1(C)CO1;SSVIWWPSHBSFDC-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271355;MM271355;C=C(CCC)CC1(C)CC1;SYFMDRCLXNOTFZ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271356;MM271356;CCCC(=O)CC1(C)CC1;OITZNOAYGDLXMC-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271357;MM271357;C=C(CCC)CC1(N)CC1;ZWBUZOCSRUFDSY-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271358;MM271358;CNC(=O)C=CC(=O)CF;RZXBJJMLVLOZKS-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271359;MM271359;C=C(CCN)CC1(O)CC1;TWIPUSRKEUGMEP-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271360;MM271360;CCCC(=O)CC1(O)CC1;BRNLUIBTIATPMT-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271361;MM271361;C=C(CCN)CC1(F)CC1;HNBXBBHHTLFZAI-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271362;MM271362;C=C(CNC)CC1(C)CC1;ZVGSDXYPFALDFA-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271363;MM271363;C=C(CNC)CC1(O)CC1;KABARCGFAYDRGP-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271364;MM271364;C=C(CNC)CC1(F)CC1;HYZVJJPBKBIJMR-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271365;MM271365;CCNC(=N)CC1(C)CC1;ORXUQXHJQRFIEK-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271366;MM271366;CCNC(=N)CC1(N)CC1;DFEWTTFGBPNUAQ-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271367;MM271367;CCCC(=N)NC1(C)CC1;LJBRDBPFXZAYMY-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271368;MM271368;C=CC(COC(N)=O)=NN;RNCSFEJEQZMVPS-UHFFFAOYSA-N;143.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271369;MM271369;CCNC(=N)NC1(C)CC1;SBBYBHITSAHUJS-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271370;MM271370;C=C(CCC)OC1(C)CC1;VYWUZZMEPANNSY-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271371;MM271371;C=C(CNC)CC1(C)CN1;SMJVKFFDXNIVCD-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271372;MM271372;CCCC(=O)CC1(C)CO1;BVVDXZUKWCQRJS-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271373;MM271373;C=C(CC#N)CC1(F)CC1;AEUCFEDMAWXEFT-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271374;MM271374;N#CCC(=O)CC1(F)CC1;XJDGPULBWQXRNB-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271375;MM271375;C=C(CC1(C)CC1)NC=N;DGDBSAPUVQZRIS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271376;MM271376;C=CNC(=N)CC1(N)CC1;ZAMJLOANNQBZJF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271377;MM271377;C=CNC(=O)CC1(N)CC1;JNWCQMIBXPGKJA-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271378;MM271378;C=CNC(=N)CC1(O)CC1;UPUFERGVBWPENF-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271379;MM271379;N=CNC(=N)CC1(O)CC1;JYLJWIWAZBUQJJ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271380;MM271380;C=C(CC1(F)CC1)NC=N;KIUIFBLFFGJVJQ-UHFFFAOYSA-N;142.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271381;MM271381;C=CNC(=N)CC1(F)CC1;FGEFAGOEFQAQMD-UHFFFAOYSA-N;142.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271382;MM271382;N=CNC(=N)CC1(F)CC1;VAHJZEBPWXYYGC-UHFFFAOYSA-N;143.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271383;MM271383;C=COC(=C)CC1(O)CC1;BSULNIOCRIZKMF-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271384;MM271384;C=CCC(=N)NC1(C)CC1;WBJBKFLXOPWFRS-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271385;MM271385;CC1(NC(=N)CC#N)CC1;DCFJARUGLFFRBN-UHFFFAOYSA-N;137.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271386;MM271386;C=CCC(=O)NC1(C)CC1;BYANCKAQAOTVNJ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271387;MM271387;CC1(NC(=O)CC#N)CC1;PXFRLZYREWTZLD-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271388;MM271388;C=CNC(=N)NC1(C)CC1;MWGGDWBETXRESO-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271389;MM271389;CC1(NC(=N)NC=N)CC1;PWZYLNAJAFADOP-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271390;MM271390;C=CNC(=O)NC1(C)CC1;KTEQUBGYTNGFPC-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271391;MM271391;CNC(=O)COCC=NN;STGCNXIJSIJFMD-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271392;MM271392;C=NNC(=N)NC1(C)CC1;PWXQFESABFTUSO-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271393;MM271393;C=CCC(=C)OC1(C)CC1;WMZXVZXMYXUXSB-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271394;MM271394;C=C(CC#N)OC1(C)CC1;NZWSCWVPMRZAPT-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271395;MM271395;C=CCC(=O)OC1(C)CC1;FJUHAWPXYOAPKG-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271396;MM271396;C=CNC(=N)OC1(C)CC1;NYABYERCQAUEAE-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271397;MM271397;COCC(C=O)N=CNO;OMKFZASNOBNFQI-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271398;MM271398;C=CNC(=N)CC1(C)CN1;KILMCJXJUIFHKH-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271399;MM271399;CC1(CC(=N)NC=N)CN1;PXOPVPBDGFPUIP-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271400;MM271400;C=CNC(=O)CC1(C)CO1;AJIPQHHBSWVXDF-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271401;MM271401;C#CCC(=C)CC1(C)CC1;XJQVOBSKPYQHOB-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271402;MM271402;C#CCC(=O)CC1(O)CC1;FDPGLPZDODXXPW-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271403;MM271403;C#CCC(=N)NC1(C)CC1;XFFXXEKIFPVAKO-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271404;MM271404;C#CCC(=O)NC1(C)CC1;FUMBKFYAQICTAE-UHFFFAOYSA-N;137.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271405;MM271405;C#CCC(=C)OC1(C)CC1;JAJBHJPYIPYKDA-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271406;MM271406;C#CCC(=O)OC1(C)CC1;SFQUPPUWCDEZDQ-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271407;MM271407;C#CCC(=O)CC1(C)CO1;ABNXGHJBIMAQSZ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271408;MM271408;CC=CC(N)CC1(C)CC1;LYYKHQJGXUQSFA-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271409;MM271409;N=CN(CCC=O)C(N)=O;JAVXHQRHCMJBHL-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271410;MM271410;CC=CC(N)CC1(N)CC1;PFAKCBHYKZBHEE-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271411;MM271411;CC=CC(O)CC1(N)CC1;PRUFOFDNAIMZDZ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271412;MM271412;CC=CC(N)CC1(O)CC1;AIFDJRYHJGNYMC-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271413;MM271413;CC=CC(O)CC1(O)CC1;XSNJBHOJNARCCK-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271414;MM271414;CC=CC(N)CC1(F)CC1;MOVCGNATACMZCS-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271415;MM271415;CC=CC(C)NC1(C)CC1;WOCNVSZMBAFZEP-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271416;MM271416;CC=CC(N)CC1(C)CN1;NFVHYHCOXCOTSU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271417;MM271417;CC=CC(N)CC1(C)CO1;AUFBDMWFSHVRTQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271418;MM271418;CC=CC(O)CC1(C)CO1;JKANCPADRGRWCE-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271419;MM271419;CC=CC(=O)CC1(C)CC1;PXYUTDCRDALMOW-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271420;MM271420;C=C(C=CC)CC1(N)CC1;DVBHHPXMRJEZPJ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271421;MM271421;CCN=CN(C=N)C(N)=O;TUSGVWBLNYZESJ-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271422;MM271422;CC=CC(=O)CC1(O)CC1;NUGMDKCDDDRLSX-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271423;MM271423;C=C(C=CC)CC1(F)CC1;IXADDFBXTXJXIA-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271424;MM271424;CC=CC(=O)CC1(F)CC1;KJAWSQQRYSURKX-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271425;MM271425;CC=CC(=N)NC1(C)CC1;MVMVWLWEMGZCCX-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271426;MM271426;CC1(NC(=N)C=CN)CC1;YJVQFJGSJSUFBL-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271427;MM271427;CCn1nc(N)n(N)c1=O;GIZLPKSISUAYCU-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271428;MM271428;C=C(C=CC)OC1(C)CC1;NITJDQQUHHSKJK-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271429;MM271429;CC=CC(=O)OC1(C)CC1;QYYMVMJKUWRZHP-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271430;MM271430;CC#CC(N)CC1(C)CC1;PCFHULIUXSGCFQ-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271431;MM271431;CC#CC(O)CC1(C)CC1;QGPBIYFFURAGMI-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271432;MM271432;FC(F)C#CC#CC1CN1;GSFTXYVUKLSENA-UHFFFAOYSA-N;141.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271433;MM271433;CC#CC(C)CC1(F)CC1;UIZCMWMPSKPPGN-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271434;MM271434;CC#CC(C)OC1(C)CC1;DKUYAPFOAJJMPU-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271435;MM271435;CC#CC(N)CC1(C)CN1;PBBXEYLUDSSQQE-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271436;MM271436;CC#CC(C)CC1(C)CO1;KJPQBXLJMDGMNQ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271437;MM271437;CC#CC(N)CC1(C)CO1;CCEBDOFWMGFJSX-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271438;MM271438;C=C(C#CC)CC1(C)CC1;WDBROAHTEODUNU-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271439;MM271439;CC#CC(=O)CC1(C)CC1;NTQYDTSLLSTRTD-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271440;MM271440;C=C(C#CC)CC1(N)CC1;YLQXHDAZLATQKV-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271441;MM271441;CCC(CO)C(C)=NNC;ZGJOJOQDZNYRQL-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271442;MM271442;CC#CC(=O)CC1(O)CC1;QWQHXVVVVLOMQC-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271443;MM271443;C=C(C#CC)CC1(F)CC1;HOXUHSVVVAHPIF-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271444;MM271444;CC#CC(=O)CC1(F)CC1;JHJJRMDULHBTAH-UHFFFAOYSA-N;140.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271445;MM271445;CC#CC(=O)OC1(C)CC1;FQFDQQCWXOTJBA-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271446;MM271446;C=C(C#CC)CC1(C)CO1;VJPHWRIQETXDIQ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271447;MM271447;CC#CC(=O)CC1(C)CO1;SFRUVHRWMYTTFA-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271448;MM271448;CCC1(C)C(C)C1C(C)C;FXZQVTKNDJDYQZ-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271449;MM271449;CC(C)C1C(C)C1(C)CN;ARWJFFPTQUOINO-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271450;MM271450;C=NN=C1C=NN(C=O)C1;ZULOVKXRRNGHOS-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271451;MM271451;CCC1(C)C(C)C1C(C)N;RZJVAIDAMZSLGV-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271452;MM271452;CC(N)C1C(C)C1(C)CF;UPSYSLHTPVQEKE-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271453;MM271453;CNc1[nH]nc(OC)c1C;HSVDAWYYDUMFOO-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271454;MM271454;CC(O)C1C(C)C1(C)CN;IQUSDERJJLYKOL-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271455;MM271455;CC(C)C1C(N)C1(C)CO;YGOGYJJIQBYINU-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271456;MM271456;CC(C)C1C(N)C1(C)CF;UPLPAHUPQDTKAH-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271457;MM271457;CC(O)C1C(N)C1(C)CF;URVLIGQSYSMCSE-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271458;MM271458;CCC1(N)C(C)C1C(C)N;JAOYEIVEKRJHIG-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271459;MM271459;CC(N)C1C(C)C1(N)CN;QSXRVEYRTLBRQK-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271460;MM271460;CCC1(N)C(C)C1C(C)F;DIGWJJXFTNVIRR-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271461;MM271461;CC(N)C1C(N)C1(N)CO;VUJIHSNHDXWPBR-UHFFFAOYSA-N;145.21;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271462;MM271462;CC(N)C1C(C)C1(O)CN;BCSIYNQLIFGLMS-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271463;MM271463;CCC1(F)C(C)C1C(C)C;MUQCDONLWCOFOK-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271464;MM271464;CCC1(F)C(C)C1C(C)N;HPIWFSYJRGHTLF-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271465;MM271465;COC1(C)C(C)C1C(C)C;XSQGFNFFXUZMQO-UHFFFAOYSA-N;142.24;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271466;MM271466;CCC1(C)C(C)C1N(C)C;HAPNMZKFJYSCGS-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271467;MM271467;CN(C)C1C(N)C1(C)CF;LCDSRGUDAKMPMP-UHFFFAOYSA-N;146.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271468;MM271468;CCC1(N)C(C)C1N(C)C;NYDMFRPEWWZVIX-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271469;MM271469;C=CC1(C)C(C)C1C(C)N;XLNVOBMWXBOVLD-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271470;MM271470;C=CC1(N)C(C)C1C(C)N;CNKIUTUXHSIHSY-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271471;MM271471;N=Nc1ccc[nH]1;SZPVSVYAANPBDH-UHFFFAOYSA-N;95.11;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271472;MM271472;CC(C)C1C(C)C1(O)C=O;FEXHCPFLAXCWHL-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271473;MM271473;C=CC1(O)C(C)C1C(C)N;DLGSPIIERTWAQJ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271474;MM271474;C=CC1(O)C(N)C1C(C)C;ADLRZBHWSAZYDC-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271475;MM271475;C=CC1(O)C(N)C1C(C)O;OYIAOKBSZSEWSY-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271476;MM271476;C=CC1(F)C(C)C1C(C)C;ROIPGIGKSFAKPD-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271477;MM271477;C=CC1(F)C(C)C1C(C)N;HWTPVOATJQKBKL-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271478;MM271478;C=CC1(F)C(C)C1C(C)O;HXBJAPRGCQBWTJ-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271479;MM271479;C=CC1(F)C(N)C1C(C)C;YASPJLUIMIHEPB-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271480;MM271480;C=CC1(C)C(C)C1N(C)C;DGMLPFYZGJGWSJ-UHFFFAOYSA-N;139.24;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271481;MM271481;CC1C(N(C)C)C1(C)C=O;WSWNGGXFBBFOGT-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271482;MM271482;C=CC1(N)C(N)C1N(C)C;QLNBMEXKEHHUPA-UHFFFAOYSA-N;141.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271483;MM271483;C=CC1(O)C(C)C1N(C)C;YTOOUXVFQNQVMO-UHFFFAOYSA-N;141.21;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271484;MM271484;CC(C)C1N(C)C1(C)C=O;QOWPDJSSUNUNKJ-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271485;MM271485;CC(F)C1N(C)C1(C)C#N;SCRJQHSFDGWZJL-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271486;MM271486;CC(C)N1C(C)C1(C)C=O;IPZYYPPQRZIUEZ-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271487;MM271487;C#CC1(C)C(C)C1C(C)N;NTWFQTRAUGGQMH-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271488;MM271488;C#CC1(C)C(N)C1C(C)N;QJJCZZNHMMMTTN-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271489;MM271489;C#CC1(N)C(C)C1C(C)C;UAHCVKFRBSWYQA-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271490;MM271490;C#CC1(N)C(C)C1C(C)N;ZNSITWSIVOMAQR-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271491;MM271491;C#CC1(N)C(C)C1C(F)F;GAZFPVJFDKKCLE-UHFFFAOYSA-N;145.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271492;MM271492;C#CC1(O)C(C)C1C(C)C;UHYONCNYFXTXGL-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271493;MM271493;C#CC1(N)C(C)C1N(C)C;JAEGMFDOYOQIBN-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271494;MM271494;C#CC1(C)C(C(C)N)N1C;HWBXSMOFOMPQNA-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271495;MM271495;C#CC1(C)C(C(F)F)N1C;YMXGAGWJUCOAQC-UHFFFAOYSA-N;145.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271496;MM271496;C#CC1(C)C(C)N1C(C)C;LGYHDXWUCQINSS-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271497;MM271497;C=C(C)C1C(C)C1(C)CC;MPPIVSKKSCNLGH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271498;MM271498;CCC1(C)C(C)C1C(=N)N;YQYLXYJMEBLRNE-UHFFFAOYSA-N;140.23;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271499;MM271499;CC1C(C(N)=O)C1(C)CN;DJIDXYAOWXBQMI-UHFFFAOYSA-N;142.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271500;MM271500;C=C(F)C1C(C)C1(C)CC;ZCQKOLIOBFWISS-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271501;MM271501;C=C(C)C1C(C)C1(N)CC;QYZLILCRDSHEFR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271502;MM271502;C=C(C)C1C(C)C1(N)CO;QPHKLYCPKWUVJR-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271503;MM271503;CCC1(N)C(C)C1C(=N)N;ZBSUZCIZGMSERS-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271504;MM271504;CC1C(C(=N)N)C1(N)CN;UWGBUWZXDPNGRY-UHFFFAOYSA-N;142.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271505;MM271505;CCC1(N)C(C)C1C(N)=O;NKCWVDDRYURSHY-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271506;MM271506;CC1C(C(N)=O)C1(N)CN;WAMSZJVQDYITKH-UHFFFAOYSA-N;143.19;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271507;MM271507;C=C(F)C1C(C)C1(N)CN;CPBKJGPCHOLLNZ-UHFFFAOYSA-N;144.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271508;MM271508;C=C(F)C1C(C)C1(N)CF;ZDMLPKLQDSZCFM-UHFFFAOYSA-N;147.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271509;MM271509;C=C(C)C1C(C)C1(O)CN;JTHRBRXNNVEKTR-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271510;MM271510;CC1C(C(=N)N)C1(O)CN;ZLCHVWGTDQJXMX-UHFFFAOYSA-N;143.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271511;MM271511;C=C(C)C1C(C)C1(F)CC;ZOTKOHVDIRCJHV-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271512;MM271512;C=C(C)C1C(C)C1(C)NC;BOVOTZMHWBWVGY-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271513;MM271513;C=C(C)C1C(N)C1(C)NC;LYTXFDPHRJSBLR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271514;MM271514;C=CC1(C)C(C)C1C(=C)C;PRDYMIJPLJFYMB-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271515;MM271515;C=C(C)C1C(C)C1(C)C#N;VWZZCELMRQNFKD-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271516;MM271516;C=CC1(C)C(C)C1C(=N)N;MPBHJGMFBWWUDO-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271517;MM271517;CC1C(C(=N)N)C1(C)C=O;KGRDUCITXXGTQI-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271518;MM271518;CNC(=O)C(C)=NN;JZYJILUEDAPIRF-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271519;MM271519;C=C(F)C1C(C)C1(C)C#N;GKRZDIVLFXUPSZ-UHFFFAOYSA-N;139.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271520;MM271520;C=CC1(N)C(C)C1C(=C)C;DJOVKWAOPQAFLH-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271521;MM271521;C=CC1(N)C(C)C1C(=N)N;YSUQXTFLGSRUJA-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271522;MM271522;C=CC1(N)C(C)C1C(N)=O;VVWQJNUBWHSQSE-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271523;MM271523;C=CC1(N)C(C)C1C(=C)F;DQOSXZXJYFTNHF-UHFFFAOYSA-N;141.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271524;MM271524;C=CC1(N)C(O)C1C(=C)C;IKHCZNZPRXWQIF-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271525;MM271525;C=NN1CC(CO)C1;WBEVUSBCTBYZPO-UHFFFAOYSA-N;114.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271526;MM271526;C=C(C)C1C(C)C1(O)C=O;UBLQLTBSYQGSLQ-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271527;MM271527;C=C(C)C1C(C)C1(O)C#N;TZHURGVCAMCAFB-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271528;MM271528;CC(=O)C1C(C)C1(O)C#N;DNZWWDCTKVLOGQ-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271529;MM271529;C=CC1(O)C(C)C1C(=N)N;QJDQVLWQEMVFJP-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271530;MM271530;CC1C(C(=N)N)C1(O)C=O;NQTBWWLDJCIHQK-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271531;MM271531;C=CC1(O)C(C)C1C(N)=O;AYCHEVCYISIHAE-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271532;MM271532;C=CC(O)(CO)CC(=O)O;UCDCOBMIQJQSAP-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271533;MM271533;O=C(O)C=CCC(O)CO;DRBWMXNJHFVEFR-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271534;MM271534;C=CC1(O)C(N)C1C(=C)C;PUSIUXRDXVGWQZ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271535;MM271535;C=CC1(O)C(O)C1C(=C)C;RVONBDZZMPKNBG-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271536;MM271536;C=C(C)C1C(C)C1(F)C=O;GGDOQWJONOPZCU-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271537;MM271537;CC(=O)C1C(C)C1(F)C=O;MUDMYVVJMPZFOI-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271538;MM271538;CC1C(C(=N)N)C1(F)C=O;OSCOPODGTMWVJF-UHFFFAOYSA-N;144.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271539;MM271539;C=CC1(F)C(C)C1C(N)=O;ULIQOTVVDPMCIW-UHFFFAOYSA-N;143.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271540;MM271540;CC1C(C(N)=O)C1(F)C=O;YETFVQVHPOVVTI-UHFFFAOYSA-N;145.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271541;MM271541;C=CC1(F)C(N)C1C(=C)C;IYCATANSNYBNJZ-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNda";;;;;;;2.2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271542;MM271542;C=C(C)C1N(C)C1(C)C#N;DQZOJZMLKPIQEH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271543;MM271543;CN1C(C(=N)N)C1(C)C#N;XINBAROLYNNZOU-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271544;MM271544;C=CC1(C)C(C)N1C(=N)N;BIHJDIJFVCCOQQ-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271545;MM271545;C#CC1(C)C(C)C1C(=N)N;SVNVWVPPFDVXDI-UHFFFAOYSA-N;136.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271546;MM271546;C#CC1(C)C(C)C1C(N)=O;RQOJHAJDVBQPEY-UHFFFAOYSA-N;137.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271547;MM271547;C#CC1(C)C(C)C1C(=O)O;ZQKBMIJJRUHQDI-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271548;MM271548;C#CC1(C)C(C)C1C(=C)F;TYBSCAIIGJQHMG-UHFFFAOYSA-N;138.19;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271549;MM271549;C#CC1(N)C(C)C1C(=C)C;RKAFTWOPAIBKDJ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271550;MM271550;C#CC1(N)C(C)C1C(=N)N;CUDOZTGAMYOZLW-UHFFFAOYSA-N;137.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271551;MM271551;C#CC1(N)C(C)C1C(=C)F;KABKHSYOTCKOJT-UHFFFAOYSA-N;139.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271552;MM271552;C#CC1(O)C(C)C1C(=C)C;PVTSUMVKXOQPTH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271553;MM271553;C#CC1(O)C(C)C1C(C)=O;SKZZPAWBNPYAOC-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271554;MM271554;O=C(O)C=CC(CO)CO;LZKSGFYCIFVXTG-UHFFFAOYSA-N;146.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271555;MM271555;C#CC1(F)C(C)C1C(=N)N;UEODAGKNSKYNKB-UHFFFAOYSA-N;140.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271556;MM271556;C#CC1(F)C(C)C1C(N)=O;BTYWPPUBCUVHFM-UHFFFAOYSA-N;141.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271557;MM271557;C#CC1(C)C(C(=C)C)N1C;AIJBRVHWKNRHMN-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271558;MM271558;CON=CN=CNO;FEIZQPMAKCNNRV-UHFFFAOYSA-N;117.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271559;MM271559;C#CC1(C)C(C(=N)N)N1C;QPNQRNWAESPTMT-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271560;MM271560;C=NOC1CC1CO;GZUCFLKCQOJUIS-UHFFFAOYSA-N;115.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271561;MM271561;C#CC1(C)C(C(=C)F)N1C;XMILNWNBKWGABJ-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271562;MM271562;C#CC1(C)C(C)N1C(=N)N;CMHYEPOTUJWYIC-UHFFFAOYSA-N;137.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271563;MM271563;CCC1(C)CC1CC(C)C;YSJBSILYRLLNMR-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271564;MM271564;CC(C)CC1CC1(C)CN;HJVOYOLFFRHOBI-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271565;MM271565;C#CC(=O)C=CC(N)=O;FVBHSZPNFHMBPZ-UHFFFAOYSA-N;123.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271566;MM271566;CC(C)CC1CC1(C)CF;LIJHMOZYYACPJD-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271567;MM271567;CCC1(C)CC1CC(C)N;REZQRJRTQVEXET-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271568;MM271568;CC(N)CC1CC1(C)CN;FEMAAFOWQPNGFI-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271569;MM271569;CC(N)CC1CC1(C)CO;XLUHOEFZCPQHCL-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271570;MM271570;CCC1(C)CC1CC(C)F;LBXDIYOCDAVQBF-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271571;MM271571;CCC1(C)CC1CC(F)F;ZXDVZSWQORCDMX-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271572;MM271572;CCC1(N)CC1CC(C)C;HVOXSXUGGUFMQG-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271573;MM271573;CC(C)CC1CC1(N)CN;UQQPPPBMHBUCLB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271574;MM271574;CC(C)CC1CC1(N)CO;IDNPOVMUDBKLFZ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271575;MM271575;CCC1(N)CC1CC(C)N;NAEXCDMLGVAMDD-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271576;MM271576;CC(N)CC1CC1(N)CN;CGMNVXMJIAXNHN-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271577;MM271577;CCC1(N)CC1CC(C)O;DGXIUOJVNKODQX-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271578;MM271578;CON=COCC(N)=O;DMCJVKWKPMEPCE-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271579;MM271579;CC(C)CC1CC1(O)CN;WSNVPLYOEWMFHC-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271580;MM271580;CC(C)CC1CC1(O)CO;IWCQNIVSEHMMMO-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271581;MM271581;CCC1(O)CC1CC(C)N;UQYQGLOQRDDYTM-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271582;MM271582;CC(N)CC1CC1(O)CN;SHVQUVJLCVSQLJ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271583;MM271583;CCC1(F)CC1CC(C)C;MADABEPHFXWJKL-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271584;MM271584;CC(C)CC1CC1(F)CN;ZQARUEWOSBYRLY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271585;MM271585;CC(C)CC1CC1(F)CO;YNFPBQWOKFZGTD-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271586;MM271586;CCC1(F)CC1CC(C)N;ZPWKSYGWKGCEBD-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271587;MM271587;CC(N)CC1CC1(F)CO;DSBOVHKDDGVFPL-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271588;MM271588;CCC1(F)CC1CC(C)O;KGWNYKSIFHFVTM-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271589;MM271589;CCC1(C)CC1NC(C)C;HPTIZCRHFVKAET-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271590;MM271590;CC(C)NC1CC1(C)CN;CXVKAIHDFYGLKR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271591;MM271591;CCC1(N)CC1NC(C)C;CNYANXXWFOZPJV-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271592;MM271592;CCC1(F)CC1NC(C)C;XJDUGJCGFMQBIU-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271593;MM271593;CCC1(C)CC1OC(C)C;DPGAEQXHKJTYKP-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271594;MM271594;CC(C)OC1CC1(C)CN;DUSLNASLESAVQA-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271595;MM271595;CC(C)OC1CC1(C)CO;LAOQELWVDYITTG-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271596;MM271596;CC(C)OC1CC1(C)CF;GCOWVLSPJMWSMV-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271597;MM271597;CCC1(N)CC1OC(C)C;NIOYBYCLUOPULK-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271598;MM271598;CCC1(C)CC1CN(C)C;DQFLMGAGJDOOKH-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271599;MM271599;CN(C)CC1CC1(C)CN;QHXLFIYQYGYGJA-UHFFFAOYSA-N;142.25;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271600;MM271600;CCC1(N)CC1CN(C)C;NSDKFVNLAJTLCY-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271601;MM271601;CN(C)CC1CC1(O)CN;BFYKJBRMTOUSBG-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271602;MM271602;CCC1(F)CC1CN(C)C;DKIDUWKDGNSBBH-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271603;MM271603;CCC1(C)NC1CC(C)N;SJTBACSFDQUGDT-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271604;MM271604;CCC1(C)OC1CC(C)C;ZOWHEWOJQGSNQS-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271605;MM271605;CCC1(C)OC1CC(C)N;KDQRAQFOLXIUEW-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271606;MM271606;CC(O)CC1OC1(C)CF;BRQBOLAGCYZSKD-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271607;MM271607;CCC1(C)OC1CN(C)C;VROXKYRZWWBYQZ-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271608;MM271608;C=CC1(C)CC1CC(C)C;JNBQWQBMXYWYAK-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271609;MM271609;CC(C)CC1CC1(C)C=O;KPQOKULMCFOFIL-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271610;MM271610;C=CC1(N)CC1CC(C)C;IUQLHJKZGZGALX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271611;MM271611;C=CC1(N)CC1CC(C)N;NQVXJEOGNRHQJX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271612;MM271612;CC(=O)C(=N)N=CNO;WARHGPRFQKADCZ-UHFFFAOYSA-N;129.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271613;MM271613;CC(C)CC1CC1(O)C=O;FHFJJWGHKKEGEQ-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271614;MM271614;C=CC1(O)CC1CC(C)N;BLKSKHPJPCYSQT-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271615;MM271615;C=CC1(O)CC1CC(C)O;KJQLRJVNWNULSD-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271616;MM271616;CC(O)CC1CC1(O)C=O;FPPSOLQRHAVYOT-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271617;MM271617;C=CC1(O)CC1CC(C)F;RRFLKNPUEUEOEC-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271618;MM271618;C=CC1(O)CC1CC(F)F;ZMSFVEDZUYNNGL-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271619;MM271619;O=CC1(O)CC1CC(F)F;XYZXKMKODOJXBV-UHFFFAOYSA-N;150.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271620;MM271620;C=CC1(F)CC1CC(C)C;IRZUNXJIUXEKOK-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271621;MM271621;CC(C)CC1CC1(F)C=O;LPGJXMLVYKMVCZ-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271622;MM271622;CC(C)CC1CC1(F)C#N;USWYDOUTFKLKRY-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271623;MM271623;C=CC1(F)CC1CC(C)O;OPMWVBSCTZCENN-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271624;MM271624;CC(O)CC1CC1(F)C=O;GMSBUQBRMSLDAA-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271625;MM271625;C=CC1(C)CC1NC(C)C;RPWLLGOCUCHWAP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271626;MM271626;CC(C)NC1CC1(C)C=O;VKQWZSKVWMMFAM-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271627;MM271627;C=CC1(N)CC1NC(C)C;PHDUCKNKUYHJIC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271628;MM271628;C=CC1(O)CC1NC(C)C;UVHWEQKFRGMPSI-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271629;MM271629;CC(C)NC1CC1(O)C=O;YZCFUZHDSIPAOR-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271630;MM271630;C=CC1(F)CC1NC(C)C;MSTIVGGZEMQPBK-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271631;MM271631;CC(C)NC1CC1(F)C#N;RWRXYGXZNCUFFX-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271632;MM271632;C=CC1(C)CC1OC(C)C;CDBKGLBRKMWEQE-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271633;MM271633;C=CC1(O)CC1OC(C)C;UYNUGNXNJCYFSI-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271634;MM271634;CC(C)OC1CC1(O)C=O;AORVEDHDIOCAFY-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271635;MM271635;CC(C)OC1CC1(O)C#N;WYYNMDKNTLGKEC-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271636;MM271636;C=CC1(F)CC1OC(C)C;VOVTWRNQJSTRIH-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271637;MM271637;CC(C)OC1CC1(F)C=O;FTDHMHJLOVJOKL-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271638;MM271638;C=CC1(C)CC1CN(C)C;MDDFPBZQGANPLX-UHFFFAOYSA-N;139.24;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271639;MM271639;C=CC1(N)CC1CN(C)C;FFNDBKDINBTCKC-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271640;MM271640;C=CC1(O)CC1CN(C)C;HVPPLRBHEDKUFK-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271641;MM271641;CN(C)CC1CC1(O)C=O;QRBZKVPVAFLMAX-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271642;MM271642;CC(F)=C(C)N=CNO;VAQCBMSONDDTQU-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271643;MM271643;C=CC1(C)OC1CC(C)C;DGKPUGUBODVHLC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271644;MM271644;CC(F)CC1OC1(C)C=O;QXRFHRDJTMDTRT-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271645;MM271645;CC(C)CN1CC1(C)C=O;WQGUFUURJKKSRS-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271646;MM271646;CC(C)CN1CC1(C)C#N;WMMLCASLKKOHRQ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271647;MM271647;C=CC1(C)CN1CC(C)N;HLCLTPHOBHUGLS-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271648;MM271648;CCC(F)=CN=CNO;KOASENFCVGLYRY-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271649;MM271649;CC(F)CN1CC1(C)C#N;QUPFHESYNOIUHV-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271650;MM271650;C#CC1(C)CC1CC(C)C;IQXYXCJWLBLAKH-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271651;MM271651;C#CC1(C)CC1CC(C)F;QALMQEDDOBUFTG-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271652;MM271652;C#CC1(N)CC1CC(C)O;HLWSNHRJKPDFJU-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271653;MM271653;C#CC1(O)CC1CC(C)C;MTDDBUVFKGPJJV-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271654;MM271654;C#CC1(O)CC1CC(C)N;UKCCNKHPXZEKRS-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271655;MM271655;C#CC1(O)CC1CC(C)O;OMKDLRCXTOJPSY-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271656;MM271656;C#CC1(F)CC1CC(C)C;HHWOFYTYSLYGAJ-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271657;MM271657;C#CC1(F)CC1CC(C)N;JOSHZHZJEQUWEM-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271658;MM271658;C#CC1(C)CC1NC(C)C;PZHVPCLFJDWQRO-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271659;MM271659;C#CC1(N)CC1NC(C)C;IPYXVDJSVHJCTE-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271660;MM271660;C#CC1(O)CC1NC(C)C;IRXYWCFAGMYESA-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271661;MM271661;C#CC1(O)CC1OC(C)C;QRIWNZGEOZXBIS-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271662;MM271662;C#CC1(O)CC1CN(C)C;BKMOMTOVLIMMGS-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271663;MM271663;C#CC1(C)OC1CC(C)N;VWMCNAVDYUUGJW-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271664;MM271664;C#CC1(C)OC1CN(C)C;KGBBUMYMCYNUDL-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271665;MM271665;C#CC1(C)CN1CC(C)C;VVPIQLMQFRHYAZ-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271666;MM271666;C#CC1(C)CN1CC(C)N;UTLCYWCVNILMRX-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271667;MM271667;CNN=C(C)C(C)CO;OFQLVKQSESHHFR-UHFFFAOYSA-N;130.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271668;MM271668;C#CC1(C)CN1CC(C)F;MMGTUGMPENSUIA-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271669;MM271669;C=C(C)CC1CC1(C)CC;JNQPEENSSKUFOA-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271670;MM271670;CC(=O)CC1CC1(C)CF;VUGQBJPNFGNFPO-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271671;MM271671;CCC1(C)CC1CC(=N)N;JJAVKJWFTURCPI-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271672;MM271672;CON=C(C)C(C)CO;VIQWCARYERVUND-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271673;MM271673;CCC1(C)CC1CC(=O)O;RNNVJVGFIUCQBC-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271674;MM271674;C=C(F)CC1CC1(C)CC;HXZPAMXPQHDTJL-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271675;MM271675;C=CNC(=NN)C(N)=O;ONENGCJKDSYREO-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271676;MM271676;C=C(C)CC1CC1(N)CC;CPJDHBPOYZDBAU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271677;MM271677;C=C(C)CC1CC1(N)CN;DMQFNIOFOZDHEB-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271678;MM271678;C=C(C)CC1CC1(N)CO;SUONDOZYQCRRPW-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271679;MM271679;C=C(F)CC1CC1(N)CN;BHOICEFQTKMAFN-UHFFFAOYSA-N;144.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271680;MM271680;Cn1nc(N)n(N)c1=O;MCZNWIQEUSASGO-UHFFFAOYSA-N;129.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271681;MM271681;C=C(C)CC1CC1(O)CN;KIRULFXNLQEOSN-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271682;MM271682;C=C(C)CC1CC1(O)CO;SFDHRGHVMQONAH-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271683;MM271683;N=C(N)CC1CC1(O)CN;GCKUQJPAFBPVHF-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271684;MM271684;C=C(C)CC1CC1(F)CC;URMYDELTKYTTIK-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271685;MM271685;C=C(C)CC1CC1(F)CN;JNQBNABCECJOEL-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271686;MM271686;CCC1(F)CC1CC(C)=O;GYIFQSHUSCNLDU-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271687;MM271687;N=C(N)CC1CC1(F)CN;ZAEJDHQNSWQXOC-UHFFFAOYSA-N;145.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271688;MM271688;CCNc1cc(N)no1;QWOONUUGQDIEFE-UHFFFAOYSA-N;127.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271689;MM271689;NCC1(F)CC1CC(N)=O;KYQXLZICNJLHOX-UHFFFAOYSA-N;146.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271690;MM271690;C=C(F)CC1CC1(F)CC;ZLRXKDNACYLXCJ-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271691;MM271691;C=C(C)CC1CC1(C)NC;JOKMBIPFDITLGV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271692;MM271692;CNC1(C)CC1CC(C)=O;OGIMOEDHEJMVNK-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271693;MM271693;CNC1(C)CC1CC(N)=O;LYCCFAUKXBAEBR-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271694;MM271694;CC(=N)NC1CC1(C)CN;GSGBRXFRAFPCDZ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271695;MM271695;CC(=N)NC1CC1(C)CF;FOSAWLJQQUDIJO-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271696;MM271696;CC(=O)NC1CC1(C)CO;BEWHLGASSPLHGI-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271697;MM271697;CC(=O)NC1CC1(C)CF;DZNVRCYIYGXQTF-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271698;MM271698;CC1(CO)CC1NC(=N)N;FLUBHKWTUACRIB-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271699;MM271699;CC(=O)NC1CC1(N)CN;OAWKMUZQOIBZAO-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271700;MM271700;CC(=O)NC1CC1(N)CO;OWDZGRQTHMSXJA-UHFFFAOYSA-N;144.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271701;MM271701;N=C(N)NC1CC1(N)CN;FIQIXDXCGDDQAP-UHFFFAOYSA-N;143.19;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271702;MM271702;NCC1(N)CC1NC(N)=O;AVCAYILQMVTHOP-UHFFFAOYSA-N;144.18;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271703;MM271703;CCC1(O)CC1NC(C)=O;QLSLJDNJSJXWKH-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271704;MM271704;CC(=O)NC1CC1(O)CN;YYFLQOISISJGMG-UHFFFAOYSA-N;144.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271705;MM271705;CC(=O)NC1CC1(O)CO;KHNIFIRVWWGEJN-UHFFFAOYSA-N;145.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271706;MM271706;N=C(N)NC1CC1(O)CN;RQLVVXJJZDFENW-UHFFFAOYSA-N;144.18;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271707;MM271707;CCC1(O)CC1NC(N)=O;DQHFSRWMIIETPY-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271708;MM271708;NCC1(O)CC1NC(N)=O;GXAKUALFUUKFLJ-UHFFFAOYSA-N;145.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271709;MM271709;CCC1(F)CC1NC(C)=N;QMESZGZRKLRNOM-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271710;MM271710;CCC1(F)CC1NC(C)=O;AWJYPDAZQOBECH-UHFFFAOYSA-N;145.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271711;MM271711;CC(=O)NC1CC1(F)CN;DLKBTYUVTOEYRM-UHFFFAOYSA-N;146.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271712;MM271712;CC(=O)NC1CC1(F)CO;ZDTRDRFYQPKZKL-UHFFFAOYSA-N;147.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271713;MM271713;CCC1(F)CC1NC(=N)N;BZELMDKHHRRLJP-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271714;MM271714;CCC1(F)CC1NC(N)=O;OZHQRSBLJFQTEV-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271715;MM271715;NC(=O)NC1CC1(F)CO;OSJWZNNIVGFLRQ-UHFFFAOYSA-N;148.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271716;MM271716;COC1(C)CC1NC(C)=O;VBSWZDPOFMVDNY-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271717;MM271717;COC1(C)CC1NC(N)=O;XIJGLKIBRIFHBP-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271718;MM271718;C=C(C)OC1CC1(C)CN;GGJIDDZYPJRBPF-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271719;MM271719;C=C(C)OC1CC1(C)CO;USLGNZFOFAOINU-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271720;MM271720;CCC1(C)CC1OC(C)=O;LRBLBTPKPLMOBG-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271721;MM271721;CC(=O)OC1CC1(C)CN;SRNDZWDEKVDMGE-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271722;MM271722;CC1(CO)CC1OC(N)=O;NUCUFYXMCQVBGP-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271723;MM271723;CC1(CF)CC1OC(N)=O;RIBJOFXGCUIOHE-UHFFFAOYSA-N;147.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271724;MM271724;C=C(C)OC1CC1(N)CC;QVLBIRFDZWWUAK-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271725;MM271725;CC(=O)OC1CC1(N)CN;DDTZMARORYGFDU-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271726;MM271726;N=C(N)OC1CC1(N)CN;RSNWNWKOVIAULX-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271727;MM271727;C=C(C)OC1CC1(O)CC;KUTZEWYYNWIPIJ-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271728;MM271728;CCC1(O)CC1OC(N)=O;SAFIJIOPYRFZQZ-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271729;MM271729;NCC1(O)CC1OC(N)=O;JJJSGVPLKKBUIY-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271730;MM271730;C=C(C)OC1CC1(F)CC;KKEFDRWIUGAEKH-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271731;MM271731;CCC1(F)CC1OC(C)=O;PFHWDBBDTWWQBK-UHFFFAOYSA-N;146.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271732;MM271732;CCC1(F)CC1OC(=N)N;PDVOISOSOVTRDV-UHFFFAOYSA-N;146.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271733;MM271733;N=C(N)OC1CC1(F)CN;HXQFTDXUFFFOSO-UHFFFAOYSA-N;147.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271734;MM271734;CCC1(F)CC1OC(N)=O;NOMLPHDCGKVTDU-UHFFFAOYSA-N;147.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271735;MM271735;C=C(C)OC1CC1(C)NC;OAAHXFRJWROBEG-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271736;MM271736;CNC1(C)CC1OC(C)=O;CGHFSTIHZCCTDI-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271737;MM271737;CNC1(C)CC1OC(=N)N;LYAFYWRGQLKUKE-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271738;MM271738;CC1(CO)NC1CC(=N)N;WSQJLIVUSHZTIW-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271739;MM271739;C=C(C)CC1OC1(C)CC;IZQVJBMPLAPWNA-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271740;MM271740;C=C(C)CC1OC1(C)CN;YXICVEZXVVUPSS-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271741;MM271741;C=C(C)CC1OC1(C)CF;HNKAOZHNYHMAMV-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271742;MM271742;CCC1(C)OC1CC(C)=O;ACJDVROJQNXTTO-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271743;MM271743;CC(=O)CC1OC1(C)CF;SMGQZYPKFOKUOL-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271744;MM271744;CCC1(C)OC1CC(=N)N;LSXIADASEHMTIX-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271745;MM271745;CC1(CF)OC1CC(=N)N;JOLVMIRHUNMIBC-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271746;MM271746;CCC1(C)OC1CC(N)=O;WTTNVPPFTNADHO-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271747;MM271747;CC1(CF)OC1CC(N)=O;JJZWCTCJFCMKMX-UHFFFAOYSA-N;147.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271748;MM271748;CCn1[nH]nc(C)c1=O;JJLKIXURBAAXBM-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271749;MM271749;C=C(F)CC1OC1(C)CF;ZFVXAADPWUFEHX-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271750;MM271750;C=C(F)CN1CC1(C)CC;UQIGPPPFTNZYIN-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271751;MM271751;CCC1(C)CN1NC(C)=O;TVJVOGVWJOEERW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271752;MM271752;C=CC1(C)CC1CC(=C)C;YEYWOGAFMZRNDI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271753;MM271753;C=CC1(C)CC1CC(C)=O;PKHDBPFWGKUUNH-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271754;MM271754;C=CC1(N)CC1CC(=C)C;XIABHUPMKRUGNR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271755;MM271755;CC=NN1CC(CO)C1;BGIKFPUMWWQWOL-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271756;MM271756;C=CC1(O)CC1CC(C)=O;FBYUSTBWDURVIT-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271757;MM271757;CC(=O)CC1CC1(O)C=O;BKJKXGKFBGFJAK-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271758;MM271758;C=CC1(O)CC1CC(=N)N;NGYBWRLHGKBKEN-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271759;MM271759;N=C(N)CC1CC1(O)C=O;LFWJXDSZDRZWCO-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271760;MM271760;C=CC1(O)CC1CC(N)=O;HNGSPSYCNXQOHS-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271761;MM271761;NC(=O)CC1CC1(O)C=O;JGBRKMGLXHZQSZ-UHFFFAOYSA-N;143.14;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271762;MM271762;C=C(CCC(N)=O)C(=O)O;GOBJJYBICZIRDY-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271763;MM271763;C=CC1(O)CC1CC(=C)F;PWCFHUFJILQHMB-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271764;MM271764;C=CC1(F)CC1CC(=C)C;YCSSYOPTJQNDKD-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271765;MM271765;C=C(C)CC1CC1(F)C=O;UAKRAWWUVWPRET-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271766;MM271766;C=CC1(F)CC1CC(C)=O;VBHFUGQUPIVLOD-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271767;MM271767;C=CC1(F)CC1CC(=N)N;WWHHAJXJXWVZHX-UHFFFAOYSA-N;142.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271768;MM271768;N=C(N)CC1CC1(F)C=O;ORPWZGHRJVJDMX-UHFFFAOYSA-N;144.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271769;MM271769;C=CC1(F)CC1CC(N)=O;YKIGLUXVKCSHDY-UHFFFAOYSA-N;143.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271770;MM271770;C=CC1(F)CC1CC(=O)O;WCKCORBCQNMVRF-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271771;MM271771;Oc1cn(O)nc1O;FWCOYBLRYGPIBX-UHFFFAOYSA-N;116.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271772;MM271772;C=CC1(F)CC1CC(=C)F;QVYZPWOFZXNZFK-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271773;MM271773;C=CC1(C)CC1NC(C)=N;UIEAXWPUNAMJRQ-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271774;MM271774;CC(=N)NC1CC1(C)C=O;KTGVCZQSWNXILF-UHFFFAOYSA-N;140.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271775;MM271775;CC(=N)NC1CC1(C)C#N;SPKLZVWRYKDURQ-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271776;MM271776;C=NN1CC(CO)C1C;JEKQQXRXCCUVLC-UHFFFAOYSA-N;128.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271777;MM271777;CC(=O)NC1CC1(C)C=O;UGWFHZURHBIYJE-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271778;MM271778;C=CC1(C)CC1NC(=N)N;KINBVGWNNBICGG-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271779;MM271779;C=CC1(C)CC1NC(N)=O;WUJOFVLPEPMUKW-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271780;MM271780;CC1(C=O)CC1NC(N)=O;IYEQLACMNHNHSZ-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271781;MM271781;C=CC1(N)CC1NC(C)=N;LZDUUIAJRKXJMG-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271782;MM271782;C=CC1(N)CC1NC(C)=O;AWMYYVXKAMBOPW-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271783;MM271783;C=CC1(N)CC1NC(=N)N;OVWNIVFOWGKSHJ-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271784;MM271784;C=CC1(O)CC1NC(C)=N;ILUATKIBSHRCEF-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271785;MM271785;C=CC1(O)CC1NC(C)=O;DEUIAVINHWOTNX-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271786;MM271786;CC(=O)NC1CC1(O)C=O;FEHPEQORROSNSY-UHFFFAOYSA-N;143.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271787;MM271787;CC(=O)NC1CC1(O)C#N;INIUIIAOWYEUIH-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271788;MM271788;C=CC1(O)CC1NC(=N)N;CLGQFPIRKWTDSR-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271789;MM271789;N=C(N)NC1CC1(O)C=O;XGIVKYDBLQSYMJ-UHFFFAOYSA-N;143.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271790;MM271790;C=CC1(O)CC1NC(N)=O;VVTWZCTYMHCRED-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271791;MM271791;C=CC1(F)CC1NC(C)=N;HRMBINCINCFVFY-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271792;MM271792;CC(=N)NC1CC1(F)C=O;OATFBXQCOOTLHQ-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271793;MM271793;C=CC1(F)CC1NC(C)=O;KFYCRIVSXAOAGA-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271794;MM271794;CC(=O)NC1CC1(F)C#N;MLCOMUBARHTZJU-UHFFFAOYSA-N;142.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271795;MM271795;N=C(N)NC1CC1(F)C=O;ZAJMUOQJYKPIOW-UHFFFAOYSA-N;145.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271796;MM271796;C=CC1(F)CC1NC(N)=O;JTDUPLVAUBCLAZ-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271797;MM271797;NC(=O)NC1CC1(F)C=O;QGQMTDLHZZXGRH-UHFFFAOYSA-N;146.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271798;MM271798;N#CC1(F)CC1NC(N)=O;KZAWFGGQEJWILB-UHFFFAOYSA-N;143.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271799;MM271799;C=CC1(C)CC1OC(=C)C;GWJSBJFZQBMWIU-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271800;MM271800;C=C(C)OC1CC1(C)C=O;QPKAIFZBKHDZPW-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271801;MM271801;C=CC1(C)CC1OC(C)=O;SZEOYSOCNNZYGI-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271802;MM271802;CC(=O)OC1CC1(C)C=O;NKPUYQKETAVRIV-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271803;MM271803;C=CC1(C)CC1OC(=N)N;UICVJYMDKCIFSP-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271804;MM271804;CC1(C=O)CC1OC(=N)N;NHXPPAUCMFROII-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271805;MM271805;C=CC1(C)CC1OC(N)=O;BESJYLQXDNXEMU-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271806;MM271806;CC1(C#N)CC1OC(N)=O;PUNMGUYZJSCINF-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271807;MM271807;C=CC1(N)CC1OC(=C)C;CLRKVZGLFUACNT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271808;MM271808;C=CC1(N)CC1OC(C)=O;BAUITHKGGPSDIE-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271809;MM271809;C=CC1(N)CC1OC(=N)N;HLZZCRBZTSJIPS-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271810;MM271810;C=CC1(N)CC1OC(N)=O;LUDYIDOXARYFKO-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271811;MM271811;C=CC1(O)CC1OC(=C)C;DRHMIJBNWJIKBN-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271812;MM271812;C=C(C)OC1CC1(O)C=O;VCIOLWGWRNSJSW-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271813;MM271813;C=C(C)OC1CC1(O)C#N;NTNNGDWBHRGOFB-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271814;MM271814;C=CC1(O)CC1OC(C)=O;IOTUEKCAYLZDQI-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271815;MM271815;CC(=O)OC1CC1(O)C=O;DTKLPCHFGIOBCN-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271816;MM271816;C=CC1(O)CC1OC(=N)N;YAEBCNHSJVQLSF-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271817;MM271817;N=C(N)OC1CC1(O)C=O;DEYGYTQIPROUMN-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271818;MM271818;N#CC1(O)CC1OC(=N)N;SCZSRCZKLUQMAU-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271819;MM271819;C=CC1(F)CC1OC(=C)C;NGMWYBPILIRTEL-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271820;MM271820;C=C(C)OC1CC1(F)C=O;QMIRCMOGRUGSAA-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271821;MM271821;C=C(C)OC1CC1(F)C#N;VWXSAZNUAAKRLS-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271822;MM271822;C=CC1(F)CC1OC(C)=O;KMRNXDZFNXJKKM-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271823;MM271823;CC(=O)OC1CC1(F)C=O;JFZYIPROJWCJSJ-UHFFFAOYSA-N;146.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271824;MM271824;C=CC1(F)CC1OC(=N)N;UULJOOBYBBXNQP-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271825;MM271825;N=C(N)OC1CC1(F)C=O;XITUGNYKZZLKJS-UHFFFAOYSA-N;146.12;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271826;MM271826;C=C(C)CC1NC1(C)C#N;BIZVOFWUOPWULW-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271827;MM271827;C#CC1CNC(=N)C1=O;LRHAPEIIGSEEKH-UHFFFAOYSA-N;122.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271828;MM271828;C=C(F)CC1NC1(C)C#N;WUDDEVDDHGZVOH-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271829;MM271829;C=CC1(C)OC1CC(C)=O;YFFQDYAGDLGMMM-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271830;MM271830;C=CC1(C)OC1CC(=N)N;GBLXYBAPGKFGHF-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271831;MM271831;CC1(C=O)OC1CC(=N)N;XYNJWVALBBPWIQ-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271832;MM271832;C=CC1(C)OC1CC(N)=O;ZKURVZFPSAWJOV-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271833;MM271833;C=C(F)CC1OC1(C)C=O;BFYLJBXVODWWCN-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271834;MM271834;C=C(C)CN1CC1(C)C#N;ORIMVQMPIYOCBS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271835;MM271835;CCC(=NN)C(C)CO;UEPCOKBZTFNTBC-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271836;MM271836;CC1(C#N)CN1CC(=N)N;LGBMWZYXYJKWSZ-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271837;MM271837;C=NN=CC(=C)CC(=O)O;NQYHBNHLTBTODL-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271838;MM271838;CC(=N)NN1CC1(C)C#N;DPLCSRBMONMPRW-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271839;MM271839;C=CC1(C)CN1NC(=N)N;QAZVIEMAOKOYNO-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271840;MM271840;C#CC1(C)CC1CC(=C)C;BPIWGLCSUHDLSN-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271841;MM271841;C#CC1(C)CC1CC(=C)F;SIMVZQRSATUJSV-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271842;MM271842;C#CCC(F)C(CO)=NO;MAMRQHVEYSUSMK-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271843;MM271843;C#CC1(F)CC1CC(=C)C;DWEXRAQXNONOAT-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271844;MM271844;C#CC1(C)CC1NC(C)=O;BSXRNHRDTHPHDX-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271845;MM271845;C#CC1(C)CC1NC(N)=O;XNVHTRPMLVWPCZ-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271846;MM271846;C#CC1(N)CC1NC(C)=N;VORXAKDCUAVNFU-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271847;MM271847;C#CC1(O)CC1NC(C)=O;OTTPVWRMUQCFCY-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271848;MM271848;C#CC1(F)CC1NC(C)=N;XWFMIEKVRZBURI-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271849;MM271849;C#CC1(C)CC1OC(=C)C;UMTZWJPUDPIGIW-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271850;MM271850;C#CC1(C)CC1OC(C)=O;VOYVCCBLSBFUGL-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271851;MM271851;C#CC1(N)CC1OC(=N)N;ZWXBPYCCELHPEO-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271852;MM271852;C#CC1(O)CC1OC(=C)C;SNVOANBOLPUXLM-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271853;MM271853;C#CC1(F)CC1OC(=C)C;LQBKPRYKMMIYAB-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271854;MM271854;C#CC1(C)NC1CC(=C)C;OFROTWZWRCDNCZ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271855;MM271855;C#CC1(C)OC1CC(N)=O;IGSDYQYGBMMUCZ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271856;MM271856;C#CC1(C)OC1CC(=C)F;OTRCRIQKDJIMFL-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271857;MM271857;C#CC1(C)CN1CC(=C)C;DRGAHVZHGQTRJB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271858;MM271858;CCC(=CF)N=CNO;SLCBLJAFXRKISB-UHFFFAOYSA-N;132.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271859;MM271859;C#CC1(C)CN1CC(=N)N;NXIMSDOYAFJLAV-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271860;MM271860;C#CC1(C)CN1CC(=C)F;IMGAYAMMSSTMDD-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271861;MM271861;C#CC1(C)CN1NC(C)=N;FWASXTRFDUWFKR-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271862;MM271862;C#CC1(C)CN1NC(C)=O;ITMYZVHDNDQTFI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271863;MM271863;C#CC1(C)CN1NC(=N)N;LIVOUFAAFOUPQA-UHFFFAOYSA-N;138.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271864;MM271864;NN=C(CF)N=CNO;QNFMPYIUMPVWRU-UHFFFAOYSA-N;134.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271865;MM271865;CCC1(N)CC(F)CC1C;KMIDGWWYQRSYFQ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271866;MM271866;CC1CN(C)CC1(C)CO;FHCURDQTSNVSGH-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271867;MM271867;C=C1CC(O)CC1(C)NC;XVLFYDGGWOLJEG-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271868;MM271868;C=C1CC(F)CC1(C)NC;PDGVQXRYVNIIKW-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271869;MM271869;C=CC1(C)CC(N)CC1=C;REDQCSBAXPTTCY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271870;MM271870;C=C1CC(O)CC1(C)C=O;IIQUSJLDGIRXFS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271871;MM271871;C=CC1(N)CC(N)CC1=C;AFLZHRXVNJUQEP-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271872;MM271872;C=CC1(N)CC(O)CC1=C;VBDXNHYYKHVRMK-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271873;MM271873;COC(=CF)N=CNO;APOUTKPPIZGFPS-UHFFFAOYSA-N;134.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271874;MM271874;C=C1CC(=C)C(C)(NC)C1;XLXPVPFTCHWFDM-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271875;MM271875;C=C1CC(=O)CC1(C)NC;YUPHDLTYRFTWNU-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271876;MM271876;C=C1CC(=C)C(C)(OC)C1;BEGMLNFVDSJCLE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271877;MM271877;C=C1CC(=O)CC1(C)OC;KBUUQKFWBFSEHI-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271878;MM271878;C=C1CC(C)(NC)C(=C)O1;HLKNXWBOHYRSSF-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271879;MM271879;C=C1CC(=C)C(C)(C=O)C1;OREYCIUUHZRUKK-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271880;MM271880;C=C1CC(=O)CC1(C)C=O;UBEOGROMLMWQES-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271881;MM271881;C=CC1(N)CC(=C)CC1=C;VETIYYJSKHYBRZ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271882;MM271882;CC=C(C=O)N=CNO;FEDBFAWJZYDCDC-UHFFFAOYSA-N;128.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271883;MM271883;C=C1CC(C)(C=O)C(=C)O1;LIWWDSAEMWQWBO-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271884;MM271884;C#CC1(N)CC(C)=CC1C;ARJJMQXSJZGYOU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271885;MM271885;C=C1C=C(C)CC1(C)NC;JZTJTBYTMOKNGM-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271886;MM271886;CNC1(C)CC(F)C=C1C;OPJSQYNNKYVLPA-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271887;MM271887;COC1(C)CC(F)C=C1C;SKRIVSUIWIYDPV-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271888;MM271888;NN=C1CC(CO)CO1;BAUBXIJVXCCLJO-UHFFFAOYSA-N;130.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271889;MM271889;CNC1(C)CC(=O)C=C1C;KBNIXAIBXHNLKV-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271890;MM271890;COC1(C)CC(=O)C=C1C;GVTZDAFMFAKEGK-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271891;MM271891;CC1=CC(=O)CC1(C)C=O;ZMXZGIULGRJRAK-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271892;MM271892;C#CC1(N)C=C(C)CC1C;KWHVQNPPXRDVEM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271893;MM271893;C=C1CC(C)=CC1(C)NC;ZPYMCKUXCUPCJM-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271894;MM271894;C=CC1(N)C=C(F)CC1=C;GWPMOMBKZAMALF-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271895;MM271895;CNC1(C)C=C(C)C=C1C;KDJLHSJBTSDZQJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271896;MM271896;COc1cc(NN)no1;AOPLHUFISJVXAJ-UHFFFAOYSA-N;129.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271897;MM271897;CC(C)CC(C)C1(N)CC1;DBEXRYPELVYFMM-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271898;MM271898;CC(N)CC(C)C1(O)CC1;SBGIAUFZQIHAGF-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271899;MM271899;C=C(C)CC(C)C1(C)CC1;WXSRAOJUVBHFHY-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271900;MM271900;CC(NC(N)=O)C1(N)CC1;JMBXXLGHIUTOHC-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271901;MM271901;CC(=O)NC(C)C1(O)CC1;YYCLRMFKQFEVHH-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271902;MM271902;CC(NC(N)=O)C1(O)CC1;IOOFCDPVFXUMEB-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271903;MM271903;CC(NC(N)=O)C1(F)CC1;JZDZAKNCPJKLPT-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271904;MM271904;C=C(C)OC(C)C1(C)CC1;MBLVDELFBJHWGD-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271905;MM271905;CC(=O)OC(C)C1(C)CC1;UJDDLQDKODQZJY-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271906;MM271906;CC(=O)OC(C)C1(N)CC1;LZBSKXDDXTUQEB-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271907;MM271907;CN(CC(=N)N)C1(C)CC1;SQLWGTGUAFJQBF-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271908;MM271908;CC(=N)NN(C)C1(C)CC1;WINFETWSZRFLKS-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271909;MM271909;CC=NOC1CC1CO;DQKBYTSLORFNCT-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271910;MM271910;CC(CCC(C)(C)O)=NN;PYCHCWOMNUKUKO-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271911;MM271911;C=C(CC(C)C)C1(C)CC1;QBKSUKNPPOOURQ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271912;MM271912;C=C(CC(C)N)C1(C)CC1;HIEZGKSQCRXQOK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271913;MM271913;C=C(CC(C)F)C1(C)CC1;OYBCSVGHAWEGGM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271914;MM271914;C=C(CC(C)C)C1(N)CC1;BRYRZGRSDSKNJA-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271915;MM271915;C=C(C)OC(=C)N=CNO;RBNLSSRNXKMQSJ-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271916;MM271916;C=C(OC(C)C)C1(C)CC1;ZROKZMLICVLDGW-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271917;MM271917;CC(=O)OC(=N)N=CNO;PFZNKKMTHIERIJ-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271918;MM271918;CN(C)NC(=O)C1(O)CC1;OFNFFXKPNIBKIW-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271919;MM271919;C=C(CC(=N)N)C1(N)CC1;GCSQDHPXFCYQKD-UHFFFAOYSA-N;139.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271920;MM271920;C=C(CC(N)=O)C1(N)CC1;YKDRWGWJQWQRKV-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271921;MM271921;C=C(CC(=N)N)C1(O)CC1;QITXRRZBTZYHFF-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271922;MM271922;CC(=O)NC(=O)C1(C)CC1;QLYCGRIEEIFSDH-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271923;MM271923;C=C(NC(C)=O)C1(N)CC1;DPIVICQDNUJDBK-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271924;MM271924;C=C(NC(=N)N)C1(N)CC1;VSVOOOOUEQWPHH-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271925;MM271925;C=C(NC(=N)N)C1(O)CC1;NCXJCJIRPWXMKT-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271926;MM271926;CCN1C(C)(C)C1(C)CN;VOQLWTXEBZUVAC-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271927;MM271927;CCCC1(C)CC1(C)CF;UAPNMSYNDMMMPT-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271928;MM271928;CCCC1(C)CC1(N)CN;WUKOXAKBNMSKTE-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271929;MM271929;CCCC1(C)CC1(N)CO;UGVQBVWDNPBSIU-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271930;MM271930;CCC(=N)N=C(N)C(N)=O;MNZRNVQMVRKFLM-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271931;MM271931;CCNC1(C)CC1(C)CN;YDHFVJMVJLYXMI-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271932;MM271932;CCCC1(C)NC1(C)CF;YTTISFQSFBSSBY-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271933;MM271933;CCCC1(C)OC1(C)CC;ZLNSNQZVRJLRJN-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271934;MM271934;CCCC1(C)OC1(C)CN;JXQJLRABEXZYIW-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271935;MM271935;CCNC(C)(C)C1(C)CC1;DMMZYLJYONTRAO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271936;MM271936;CCOC(C)(C)C1(F)CC1;NWMLSYHUOLTZBH-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271937;MM271937;CCNC(C)(C)C1(C)CN1;SFKFDZMZZCZYMP-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271938;MM271938;CCC1(C)C(N)CC1(C)C;LXOMHLNBBLCZAJ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271939;MM271939;CC1(C)CC(N)C1(C)CN;QCZNOJOVRCEMIQ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271940;MM271940;CCC1(C)C(N)CC1(C)N;BVDOQOHJCWPWLA-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271941;MM271941;CCC1(O)C(C)CC1(C)C;YHNIXOZFLNVXHP-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271942;MM271942;CCC1(C)C(C)NC1(C)C;MHSGBSXSXHECHJ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271943;MM271943;CC1(C)NC(=O)C1(C)CN;WSYKCLWUNPKGJJ-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271944;MM271944;CNC1(C)C(=O)NC1(C)C;FVLWILKWFHAAPI-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271945;MM271945;CCC1(C)C(=O)OC1(C)C;OZYWMWQBQWUFQG-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271946;MM271946;CNC1(C)C(=O)OC1(C)C;LOUGEHCNVHBUOZ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271947;MM271947;CC1(C)OC(=O)C1(C)C#N;PMXSNLDPYMNCRH-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271948;MM271948;C#CC1(C)C(=O)OC1(C)C;IKBFCIZVJDEQNR-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271949;MM271949;CC(C)CC(CN)CCF;RDTYOZZAILEZLZ-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271950;MM271950;CCC(CCN)CC(C)N;AFYXTWMKAPLWNT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271951;MM271951;CCCC(CN)CC(C)N;OUMHJQKBRLDHHA-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271952;MM271952;CCCC(CO)CC(C)N;UBIQJUUHGXIFHS-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271953;MM271953;CC(N)CC(CO)CCF;DARZKHUUJDWMIQ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271954;MM271954;CCCC(CF)CC(C)N;LENIKOLXLARAFA-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271955;MM271955;CC(N)CC(CF)CCO;XMMHNDBPLACGII-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271956;MM271956;CC(N)CC(CF)CCF;HHWVQGZEROSSPL-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271957;MM271957;CCCC(CN)CC(C)O;AFIKWDWQLITVNU-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271958;MM271958;CCCC(CO)CC(C)O;FNQLMCZQKOBWJQ-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271959;MM271959;CC(O)CC(CF)CCF;TWHVQUXYMDOHMV-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271960;MM271960;CC(F)CC(CN)CCF;PLVZKYHFGYKKBE-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271961;MM271961;CC(F)CC(CO)CCF;VEADVOHCMFJPGW-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271962;MM271962;CC(F)CC(CF)CCF;OTESCFBWDJCEGC-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271963;MM271963;CCCC(CO)CC(F)F;KLEUQSPAOIXGOX-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271964;MM271964;CCC(CNC)CC(C)N;ZYAQEBQBBSDQIV-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271965;MM271965;CNCC(CF)CC(C)N;UXCCFKHTPVJUDA-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271966;MM271966;CCC(CNC)CC(C)O;DSRYZXLUGNTKDZ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271967;MM271967;CNCC(CF)CC(C)F;RFECUVRMELIZPF-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271968;MM271968;CCC(CNC)CC(F)F;ZKYYUMAVYYUZDX-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271969;MM271969;CCCC(CC(C)N)NC;PAPHPFOXJGSMBI-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271970;MM271970;CNC(CCN)CC(C)N;ZLTQWQMONSSFKR-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271971;MM271971;CNC(CCF)CC(C)N;RHSCWJZUDZQJQJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271972;MM271972;CCCC(CC(C)O)NC;CBTRKAHXGZAXIA-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271973;MM271973;CNC(CCF)CC(C)F;UYHYZTCTLFNNNX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271974;MM271974;CNC(CCN)CC(F)F;KFITZZZXSJAAFJ-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271975;MM271975;CNC(COC)CC(F)F;RKQJRCAVOMSRSS-UHFFFAOYSA-N;153.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271976;MM271976;CNCC(CC(F)F)OC;NNILPAVVYYABOF-UHFFFAOYSA-N;153.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271977;MM271977;CCNC(CF)CC(C)F;DQTBQKIKSYBDSG-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271978;MM271978;CCOC(CN)CC(F)F;ILPVSYPXNNXTAH-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271979;MM271979;CCC(CCN)NC(C)C;DXTFYRZJUZHKQO-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271980;MM271980;CCC(CCO)NC(C)C;VKHLFIQTPRNKNR-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271981;MM271981;CC(C)NC(CF)CCF;XPILWXQQHAJGCI-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271982;MM271982;COCC(CN)NC(C)C;WMXLFCVYUYOWLE-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271983;MM271983;CNCC(CN)OC(C)C;SFOLNBAYIUXVNG-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271984;MM271984;COCC(CN)OC(C)C;HGNIPHCDHSFQHC-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271985;MM271985;COCC(OC)OC(C)C;AVFQFQWXCNBCKW-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271986;MM271986;CCN(CCO)CC(C)N;YKENFUFTVJKBKI-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271987;MM271987;CCN(CCN)CC(F)F;LUPIOCDXFJXPJA-UHFFFAOYSA-N;152.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271988;MM271988;C=CCC(CC)CC(C)C;NHPGWJGRONCGDD-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271989;MM271989;CN=C(C)N=C(N)C(N)=O;LKYPVGHRYYARAC-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271990;MM271990;CC(C)CC(CF)CC=O;GRSKAXBWKNIFOG-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271991;MM271991;C=CCC(CN)CC(C)N;DSJDRWGZGQOOFM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271992;MM271992;C=CCC(CO)CC(C)N;DFSYFSDWJAHVPE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271993;MM271993;C=CCC(CF)CC(C)N;UKFWWVYXFRKKOS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271994;MM271994;C=NNC(C#N)CC(N)=O;JLGYHIGDWCUEEI-UHFFFAOYSA-N;140.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271995;MM271995;C=CCC(CN)CC(C)O;KTDCDCGVVAJKIT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271996;MM271996;C=CCC(CO)CC(C)O;DGAFOWMNEFJDDB-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271997;MM271997;CC(O)CC(CO)CC#N;NXFSVPXSNKENSL-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271998;MM271998;C=CCC(CF)CC(C)O;GCKMTXXRVPVUGZ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM271999;MM271999;CC(O)CC(CF)CC#N;LKZWXEDDMKCGQV-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272000;MM272000;CC(F)CC(CF)CC=O;HPGGJIJJYHZJKX-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272001;MM272001;C=CCC(CN)CC(F)F;DRDGENDNXCNTFX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272002;MM272002;C=CCC(CO)CC(F)F;ZKNPSYFFFJQWFF-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272003;MM272003;N#CCC(CO)CC(F)F;GCCGMISDYCLQEY-UHFFFAOYSA-N;149.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272004;MM272004;C=CCC(CF)CC(F)F;OEZHXNUAEVRZLV-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272005;MM272005;C=CCC(CC(C)N)NC;YNNRDYJWXYCZBK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272006;MM272006;C=CCC(CC(C)O)NC;PWTQNDJYBBOQRC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272007;MM272007;CNC(CC=O)CC(C)O;LZHOIBPMFPZRCY-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272008;MM272008;C=CCC(CC(F)F)NC;JMBKAJFIIUAMKP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272009;MM272009;CNC(CC=O)CC(F)F;OXUGXVWJEGHKIF-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272010;MM272010;COC(CC=O)CC(F)F;URSRUKRWFTYYLF-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272011;MM272011;CCC(CC(C)N)NC=O;KBMIMJSWVLEZJJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272012;MM272012;N=CNC(CF)CC(F)F;UBICXHRHDDTNIR-UHFFFAOYSA-N;154.14;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272013;MM272013;CC(C)CC(CN)OC=O;SGAKMXYLWVXPNO-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272014;MM272014;CCC(CC(C)N)OC=O;BIMNBJRJJJFWCL-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272015;MM272015;C=COC(CF)CC(C)N;WEPJNORRFOKKNK-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272016;MM272016;CCC(CC(C)O)OC=O;HOPNZLUJMZSNLP-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272017;MM272017;CC(F)CC(CF)OC=O;VBTPXMICYLWDMR-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272018;MM272018;C=COC(CN)CC(F)F;FLHPPEOPWDXZSI-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272019;MM272019;C=COC(CO)CC(F)F;SGGALMCNXHOQIS-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272020;MM272020;O=COC(CF)CC(F)F;FGKNVBFPFWNFQR-UHFFFAOYSA-N;156.1;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272021;MM272021;CC(O)CC(CCO)=NN;QVGWMFQMPCIWES-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272022;MM272022;C=COC(CC(F)F)OC;AOCMISJFDABKIX-UHFFFAOYSA-N;152.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272023;MM272023;C=NOC(CC(F)F)OC;HHMGCDSBDZPVQY-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272024;MM272024;C=CCC(CC)NC(C)C;HUBAUJBXVKULPH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272025;MM272025;CCC(CC=O)NC(C)C;JTGLQPSBRKSNFH-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272026;MM272026;C=CCC(CN)NC(C)C;OHZJFCAGGKDTGE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272027;MM272027;C=CCC(CO)NC(C)C;GTGXLHZCPUFHRW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272028;MM272028;C=CCC(CF)NC(C)C;BYTMMOBJSICCSY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272029;MM272029;CC(C)NC(CF)CC=O;GJTCYHQIZMAZCW-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272030;MM272030;C=CCC(CN)OC(C)C;KHMCCCNQVJLNSD-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272031;MM272031;CC(C)OC(CO)CC#N;XRIRHKIJRLVLCJ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272032;MM272032;C=COC(CN)OC(C)C;XKVFICKNOYHDHO-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272033;MM272033;C=CCC(CC)CN(C)C;RRHJTGMDJUBMAK-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272034;MM272034;C=CCC(CF)CN(C)C;VUQADQPNJYIXFN-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272035;MM272035;CN(C)CC(CO)NC=N;QFZPMOMAZCJXDS-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272036;MM272036;C=NOC(CN)CN(C)C;QTAWAWWSEHWJET-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272037;MM272037;NN=CC=CCOC(N)=O;FCLAHIHWHQNTCQ-UHFFFAOYSA-N;143.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272038;MM272038;CCN(CC(C)F)NC=N;WNZUASQFMPAMPV-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272039;MM272039;CCN(CC(C)F)NC=O;VWLLGYDFVAENLA-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272040;MM272040;COCCON=CC(N)=O;USSPUOVZMICMJF-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272041;MM272041;C#CCC(CC)CC(C)N;QGFWBULURVZQBI-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272042;MM272042;C#CCC(CN)CC(C)N;KQKHJRMAJYVQKW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272043;MM272043;C#CCC(CF)CC(C)N;BDSFVLIOTCMCIB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272044;MM272044;N#CC=COC=CC(N)=O;NSNQUYNHXBJARG-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272045;MM272045;C#CCC(CF)CC(C)O;HRYYOBSZLUEIAW-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272046;MM272046;C#CCC(CC(C)C)NC;KFOHRCSYXCAQBS-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272047;MM272047;C#CCC(CC(C)O)NC;CRMVVOJQRCTXJH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272048;MM272048;C#CCC(CO)CN(C)C;UENDVMPYVNFSIB-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272049;MM272049;C#CCC(CN(C)C)NC;PGTGZTXLINXKQW-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272050;MM272050;C#CCC(CN(C)C)OC;NTANMEBKKQMROC-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272051;MM272051;C#CCN(CC)CC(C)N;SIEQRUFHYZBQFB-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272052;MM272052;CC(C)CC(C=O)CCO;NJWYKOVMLROPQR-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272053;MM272053;CC(C)CC(C=O)CCF;ATNNUCQDPOPQLN-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272054;MM272054;C=CC(CCO)CC(C)N;CHHYNFKYAJJKAA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272055;MM272055;C=CC(CCF)CC(C)N;KOUPWYOLOXJOIP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272056;MM272056;C=CC(CCN)CC(C)O;RUGWWFLMIAVTJM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272057;MM272057;CC#CC(F)=CN=CNO;DNQPUUMPYVPOEQ-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272058;MM272058;CN=C(CF)N(C)C(N)=O;HWCIUBJUKGBJAD-UHFFFAOYSA-N;147.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272059;MM272059;CCCC(C=O)CC(C)O;PLKNQZMMNYLCOD-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272060;MM272060;C=CC(CCC)CC(C)F;LYPCGKJXSUBSOC-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272061;MM272061;CCCC(C=O)CC(C)F;DOFXYLBHFJMGFK-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272062;MM272062;CC(F)CC(C=O)CCF;STYXXQRAKMGSAH-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272063;MM272063;C=CC(CCC)CC(F)F;JHJIWJZMDAUIJZ-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272064;MM272064;C=CC(CCN)CC(F)F;LYCKVDRMCJVVFH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272065;MM272065;CCN=CN=C(N)C(N)=O;OGOHSKVZRAZBOL-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272066;MM272066;C=CC(CCF)CC(F)F;HAAPWVSRDTXAMD-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272067;MM272067;CCCC(C=O)CC(F)F;FQNOKFMRYSKONF-UHFFFAOYSA-N;150.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272068;MM272068;O=CC(CCF)CC(F)F;FEFJTQPZWGXMCD-UHFFFAOYSA-N;154.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272069;MM272069;N#CC(CCF)CC(F)F;RISIJRKCQOUVQR-UHFFFAOYSA-N;151.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272070;MM272070;C=CC(CNC)CC(C)C;KFIVRFQYURMCQJ-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272071;MM272071;CNCC(C=O)CC(C)C;UMCJMNLFJGDHCF-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272072;MM272072;C=CC(CNC)CC(C)F;IMHQRJXQIZXPDV-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272073;MM272073;C=CC(CNC)CC(F)F;UJIFRKKIUNTDHG-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272074;MM272074;CNCC(C=O)CC(F)F;SBBKKQNUERFTLC-UHFFFAOYSA-N;151.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272075;MM272075;C=CC(COC)CC(C)O;KNYWBCQCHZUSJM-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272076;MM272076;COCC(C=O)CC(F)F;GEEGACFNYYXLFS-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272077;MM272077;C=CC(CC(C)O)NCC;CHRVNZWGGFQIOS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272078;MM272078;CC(C)C(F)=CN=CNO;LJXJAMKDUAWTMA-UHFFFAOYSA-N;146.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272079;MM272079;CCOC(C=O)CC(C)O;UWTWUMVMGYRQKK-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272080;MM272080;CCOC(C#N)CC(F)F;DWLDWYBEFYALPU-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272081;MM272081;C=CC(CCC)NC(C)C;AJLBKVJXDHHOES-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272082;MM272082;CCCC(C=O)NC(C)C;ZQXZCRKNMDOFHW-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272083;MM272083;CCCC(C#N)NC(C)C;MJGRNENJNJGRKJ-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272084;MM272084;CC(C)NC(C=O)CCF;YCVQIHSIPAUDPC-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272085;MM272085;CC(C)NC(C#N)CCF;MJRGMQAAZAXXCZ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272086;MM272086;C=CC(CNC)OC(C)C;OLJIMNHPHCOWRY-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272087;MM272087;COCC(C#N)OC(C)C;YIMNFDQHLAFBDS-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272088;MM272088;CCOC(C#N)OC(C)C;VUJDLMQYHHGAHJ-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272089;MM272089;C=CC(CCN)CN(C)C;VEKIQTXDKPQWIN-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272090;MM272090;C=CC(CCF)CN(C)C;AUGBKUQTMMSENS-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272091;MM272091;CC(C)CN(C=N)CCF;DBIDYCYDGSQRDK-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272092;MM272092;CCCN(C=N)CC(C)N;GVWLILVTWUHEOB-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272093;MM272093;CCCN(C=N)CC(C)F;HMOMHYUTNYONCO-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272094;MM272094;CC(F)CN(C=N)CCO;NFFQVQYIQQSFIN-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272095;MM272095;CCCN(C=N)CC(F)F;FNRQYXDESYYURB-UHFFFAOYSA-N;150.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272096;MM272096;C=NN(CCN)CC(C)C;PNZSDCWDPTWHJD-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272097;MM272097;C=NN(CCO)CC(C)N;DHSFXYKWNTYTKJ-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272098;MM272098;CC(=O)C(F)=CN=CNO;YCFIAMLHWFWUDS-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272099;MM272099;C=C(N=CNO)OC=CC;DXGSFNOISMMELJ-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272100;MM272100;C=NN(CCN)CC(C)F;OQYGNNWSHCIJOH-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272101;MM272101;CCNN(C=N)CC(C)F;GLNBDXPBWAYDIU-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272102;MM272102;CCON(C=O)CC(C)F;CVOQBNUZHIUMLG-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272103;MM272103;CCON(C=O)CC(F)F;JIVCYPRBBRTTBE-UHFFFAOYSA-N;153.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272104;MM272104;C=CC(CC=O)CC(C)C;SLICEYYWHVSQHG-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272105;MM272105;C=CCC(C=O)CC(C)C;BJFSILDDLFWLMM-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272106;MM272106;C=CCC(C#N)CC(C)C;UVPQFGVLHQRIEL-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272107;MM272107;CC(C)CC(C=O)CC#N;ZCVFIDWXBKYBJY-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272108;MM272108;CC(C)CC(C#N)CC#N;KOINRLSRVTULIE-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272109;MM272109;CC(C=O)C(=N)N=CNO;WUWFQTROOLXUEQ-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272110;MM272110;C=C(N=CNO)N(C)C=O;XTVWKTKPUODBHU-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272111;MM272111;CCON=C(C)C(C)CO;XLNIYANACKCIIG-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272112;MM272112;C=CCC(C=O)CC(C)O;XFDJAUVZYUWJND-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272113;MM272113;C=CCC(C#N)CC(C)O;UKUANJXLDAUSEP-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272114;MM272114;C=CC(CC=O)CC(C)F;AYCZSMGHYCEQLQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272115;MM272115;C=CCC(C=O)CC(C)F;KXVBGSNJECXUQQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272116;MM272116;CC(F)CC(C#N)CC#N;SMLZYIZFOITQCL-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272117;MM272117;C=CCC(C=C)CC(F)F;IKZJBKQVPUPXLJ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272118;MM272118;C=CC(CC=O)CC(F)F;KPKWSILGPGDCIE-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272119;MM272119;C=CCC(C=O)CC(F)F;AVOQYYVFUOBIST-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272120;MM272120;CC(C)CC(C=O)NC=O;AWVIONFJGJYQGK-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272121;MM272121;CC(O)CC(C#N)NC=N;YAZMYFVZSKDRFQ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272122;MM272122;C=CC(CC(F)F)NC=N;QIQREOBSCPNRMW-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272123;MM272123;N=CNC(C=O)CC(F)F;DMKICCLPBBHWSW-UHFFFAOYSA-N;150.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272124;MM272124;O=CNC(C=O)CC(F)F;GGQJKFHAVXZRHV-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272125;MM272125;CC(N=CNO)=C(F)C=O;JVXYRBJNIRFEQY-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272126;MM272126;C=COC(C#N)CC(C)O;QBAYUCPHDYNGBX-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272127;MM272127;C=COC(C#N)CC(C)F;ZLRTYWCJNUCHSA-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272128;MM272128;C=COC(C#N)CC(F)F;UBGPWKUDRDWIPK-UHFFFAOYSA-N;147.12;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272129;MM272129;N#CC(CC(F)F)OC=O;AGDWNTUFRXNMRI-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272130;MM272130;C=CC(CC=O)NC(C)C;IFEABEWSRHWKSG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272131;MM272131;C=CCC(C#N)NC(C)C;ODFMYBNNSPFVGI-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272132;MM272132;C=NN(CCO)CCCO;DCVBRGOVRXRYAX-UHFFFAOYSA-N;146.19;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272133;MM272133;CC(C)NC(C#N)CC#N;TXZBHBCOXNJYAL-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272134;MM272134;C=CCC(C=O)OC(C)C;GGXVNLGBVIZVTK-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272135;MM272135;C=CCC(C#N)OC(C)C;ZXUHFPHKAHPVBY-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272136;MM272136;C=COC(C#N)OC(C)C;PEYUZBRIOWCSIA-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272137;MM272137;C=NOC(C#N)OC(C)C;RJMFGXSJAXFCBT-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272138;MM272138;C=CC(CN(C)C)NC=O;CVRKAJYEVQHLQT-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272139;MM272139;CN(C)CC(C=O)N=CN;WQTSBRQSGZUESG-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272140;MM272140;CN(C)CC(C#N)NC=N;BSMJMTXZEBTJAJ-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272141;MM272141;CCCC(=CF)N=CNO;XFVPRUCEQKKIAU-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272142;MM272142;C=CC(CN(C)C)OC=O;KMUYWDBRXPHUSC-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272143;MM272143;C=CCN(C=O)CC(C)C;LFNDBHCCQKUPQQ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272144;MM272144;C=CCN(C=O)CC(C)N;AIDCOHHTZXJYKB-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272145;MM272145;CC(O)CN(C=N)CC#N;ZKUUHKMXTQRNHS-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272146;MM272146;CC(O)CN(C=O)CC#N;LSXLXDNWSVEBCD-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272147;MM272147;CC(F)CN(C=N)CC=O;BHSZEANNBOCGON-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272148;MM272148;CC(F)CN(C=N)CC#N;ABNPUGUQEDEHQK-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272149;MM272149;C=CCN(C=O)CC(C)F;YYBZTIUIXQNPAW-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272150;MM272150;NN=C(C=CF)N=CNO;HEGDSBVMHMTQJN-UHFFFAOYSA-N;146.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272151;MM272151;CC#CC(=CF)N=CNO;NQDGKGARGVHVPQ-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272152;MM272152;CCCC(C=NNC)CO;FVTJAFLEOZZPAB-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272153;MM272153;C=NN(CC#N)CC(F)F;HVCFQWSSJAILHT-UHFFFAOYSA-N;147.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272154;MM272154;CC(N)CN(C=N)NC=N;IWFWRIFDJDJPOU-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272155;MM272155;N=CNN(C=N)CC(F)F;FKPKBCUNODZVCE-UHFFFAOYSA-N;150.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272156;MM272156;N=CNN(C=O)CC(F)F;SJGHBYQFBSRZJE-UHFFFAOYSA-N;151.12;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272157;MM272157;O=CNN(C=O)CC(F)F;RKFYZKQYAYLSFY-UHFFFAOYSA-N;152.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272158;MM272158;CC(F)CN(C=O)OC=O;GPOKPFJOTQZZQK-UHFFFAOYSA-N;149.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272159;MM272159;C=CCN(C=N)NC(C)C;RAJSKMLHRDECPO-UHFFFAOYSA-N;141.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272160;MM272160;C=CCN(C=O)NC(C)C;VZTRXOMJQZIVEM-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272161;MM272161;C#CCC(C=C)CC(C)N;XPLXNFDVOOBQFD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272162;MM272162;CNN=C(CN)N=CNO;HHGAMVDEDXFXNP-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272163;MM272163;C#CCC(C=C)CC(C)F;ZIFMPBRXQCCTIV-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272164;MM272164;C#CCC(C=O)CC(C)F;ZTWADTKLNXYYGT-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272165;MM272165;C#CCC(C#N)CC(C)F;JQBQKSYDOAYRJE-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272166;MM272166;C#CCC(C=C)OC(C)C;NLGLZABFRRBXQR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272167;MM272167;C#CCC(C=C)CN(C)C;NBGZLHCEXGDMDB-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272168;MM272168;C#CCN(C=N)CC(C)N;YEARDHKXECGVLB-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272169;MM272169;C#CCN(C=O)CC(C)N;FJTIFGJFRXPQCU-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272170;MM272170;C#CCN(C=N)CC(F)F;RPKBLKGIXJWOIW-UHFFFAOYSA-N;146.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272171;MM272171;C#CCN(C=O)CC(F)F;FXTUOYCYBOHWOU-UHFFFAOYSA-N;147.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272172;MM272172;C#CCN(CC(F)F)N=C;HQRYAHHNSSQQIM-UHFFFAOYSA-N;146.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272173;MM272173;C#CCN(C=O)NC(C)C;PCTGZVIRKFLGII-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272174;MM272174;C#CC(CCC)CC(C)C;UOTJBOLSJOYASI-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272175;MM272175;CNN=C(CF)N=CNO;AHPJOTOPEVZIEJ-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272176;MM272176;C#CC(CCF)CC(C)N;VZWMKBDONVNOKI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272177;MM272177;C=NN=C(CC)N=CNO;RFXUMAWSULLUQA-UHFFFAOYSA-N;142.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272178;MM272178;C#CC(CCF)CC(C)F;MWMMMILJZLMEJE-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272179;MM272179;C#CC(CCC)CC(F)F;OSNDMMCOHVAQTB-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272180;MM272180;C#CC(CCF)CC(F)F;WHUXVQFZJUHXAU-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272181;MM272181;C#CC(CCC)NC(C)C;WYBXFWBSMUOMOY-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272182;MM272182;C#CC(CCF)NC(C)C;XGVBRZGVJLQOAB-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272183;MM272183;C#CC(CN(C)C)NCC;ZMOXIZWIXCPKGR-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272184;MM272184;C#CC(CN(C)C)OCC;BMOPYJIUEPFBFN-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272185;MM272185;C#CC(CC#N)CC(C)C;LVHPPYQVLSHSQW-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272186;MM272186;C#CC(CC=C)CC(C)N;WENNLSALXGSUKK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272187;MM272187;C#CC(CC=C)CC(C)F;AQLBEQLAFKFPEK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272188;MM272188;C#CC(CC=O)CC(C)F;FFJKWQBISCMMDT-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272189;MM272189;C#CC(CC(C)C)NC=O;MPOHFHVLEPWDSF-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272190;MM272190;C#CC(CC(C)N)NC=N;NESWRYPVJNFCMK-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272191;MM272191;NNC(N=CNO)=NC=O;LPEWEICLFWREFJ-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272192;MM272192;C#CC(CC(C)N)OC=C;WUOQPIDQINEMOG-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272193;MM272193;C#CC(CC(C)F)ON=C;YXUFDWKFUYRXOS-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272194;MM272194;C#CC(CC=O)OC(C)C;NUJUBEIJTZJVFW-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272195;MM272195;C#CC(CN(C)C)NC=N;XBAVZMRRZVKFPT-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272196;MM272196;C#CC(CN(C)C)OC=C;YMFOZCYNONIJKR-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272197;MM272197;C#CCC(C#C)CC(C)N;CALPPVJMGADGNB-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272198;MM272198;C#CCC(C#C)CC(C)F;DPFDCJOTGZNNMC-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272199;MM272199;C#CCC(C#C)NC(C)C;VRVCCJYARUNFMB-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272200;MM272200;C#CCC(C#C)OC(C)C;GVCSJGOLWAWJAC-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272201;MM272201;C#CCC(C#C)CN(C)C;CWXAUIXHDNMROI-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272202;MM272202;C=C(C)CC(CN)CCF;SCSQSENPNRTONK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272203;MM272203;C=C(C)CC(CF)CCF;JCFDABCMCMDCDS-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272204;MM272204;CC(=O)CC(CF)CCF;UEMVONQOJOXKMG-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272205;MM272205;CCC(CCN)CC(=N)N;SEMRPIWZSIATKK-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272206;MM272206;CCC(CCF)CC(=N)N;NXGVOSRLOLJABR-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272207;MM272207;CCCC(CN)CC(=N)N;MQFUGPZDZTVTMF-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272208;MM272208;CCCC(CF)CC(=N)N;CGUDAZKHCKGYIH-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272209;MM272209;N=C(N)CC(CF)CCF;FUVNXLAPGBUPRU-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272210;MM272210;COC(N=CNO)=NC=O;QEBDGISYNIGCRI-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272211;MM272211;CNC=C(C#N)N=CNO;NVRQONOAWUGQIP-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272212;MM272212;NCCC(CN)CC(N)=O;QIGDABRPSQSPBB-UHFFFAOYSA-N;145.21;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272213;MM272213;NCC(CCF)CC(N)=O;AZZFABUMYZALIL-UHFFFAOYSA-N;148.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272214;MM272214;CNN=C(C#N)N=CNO;PUCDKFMDGRHLSW-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272215;MM272215;CCC(CCF)CC(=O)O;MRZFJYQSFDTGMB-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272216;MM272216;CCCC(CF)CC(=O)O;QOEICOJAMDEBPG-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272217;MM272217;C=C(F)CC(CN)CCF;OKACJQOUJGESHX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272218;MM272218;C=C(F)CC(CF)CCN;YKTOQTALEPSSSY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272219;MM272219;C=C(F)CC(CF)CCF;LCAPWUDFGWEVOE-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272220;MM272220;C=C(C)CC(CC)CNC;VWOVHHPIIRCTSK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272221;MM272221;C=C(C)CC(CF)CNC;JOUGJYSKGNNZNY-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272222;MM272222;CNCC(CF)CC(=N)N;UDIPZQIIXOPDNQ-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272223;MM272223;C=C(F)CC(CF)CNC;HHLUCRQYUXCUGU-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272224;MM272224;COCC(CO)CC(C)=O;VCYQHIJZKLJFRT-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272225;MM272225;COCC(CO)CC(=N)N;XBKGMKUEPGVOQG-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272226;MM272226;COCC(CF)CC(=N)N;FPULMKHJRNXUEP-UHFFFAOYSA-N;148.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272227;MM272227;C=C(C)CC(CCC)NC;POMQRTIGDQNICV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272228;MM272228;C=C(C)CC(CCF)NC;DHAYRVMUJCWTCJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272229;MM272229;CNC(CCF)CC(N)=O;PRRVMSRLODMMIS-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272230;MM272230;C=C(F)CC(CCF)NC;DDJPAFRQYDCDBV-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272231;MM272231;C=C(C)CC(CNC)NC;XJEFAKHNGVFNFI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272232;MM272232;COC(CCF)CC(=N)N;OKJLSYPNLXXMRQ-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272233;MM272233;COCC(CC(N)=O)OC;RSGVETJPTZABGD-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272234;MM272234;C#CC(O)C(COC)=NO;YFYHXTMCOVIVTQ-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272235;MM272235;C=C(C)CC(CC)NCC;HMDSTPUJRHDMTM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272236;MM272236;C=C(C)CC(CF)NCC;HGBQUJGIQYSYNJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272237;MM272237;CCNC(CC)CC(=N)N;AYICJODCMWUOMY-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272238;MM272238;CCNC(CF)CC(=N)N;UHXYIVUOUWLNTF-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272239;MM272239;CCNC(CC)CC(N)=O;RVNVJFDSJFLLDM-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272240;MM272240;C=C(F)CC(CF)NCC;UVVQSTNGUGPYGZ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272241;MM272241;CCOC(CO)CC(=N)N;QYWLASCQNRZSTG-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272242;MM272242;CCOC(CF)CC(=N)N;OKYVHQZCNBDYSQ-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272243;MM272243;C=C(F)CC(CO)OCC;LTDOYILKEDAAKC-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272244;MM272244;CCOC(CC(C)=O)OC;DEJSIMXTQFLBAA-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272245;MM272245;CCOC(CC(=N)N)OC;APRBUZZFHSYNLS-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272246;MM272246;CCOC(CC(N)=O)OC;IUHXYALITOTSPM-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272247;MM272247;C=C(F)CC(OC)OCC;BQHVUFGHIHLVEE-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272248;MM272248;CCCC(CC)NC(C)=N;JQQDMGNGPDZMDS-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272249;MM272249;C#CC(N=CNO)=NNC;VSXNJAQSWXGZCC-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272250;MM272250;CCC(CCF)NC(C)=O;GKMLWGNNWOHVQI-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272251;MM272251;CCCC(CN)NC(C)=O;OCOSDEQOMXQEBQ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272252;MM272252;CC(=O)NC(CN)CCF;WMHBHZJXHVVEHY-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272253;MM272253;CCCC(CF)NC(C)=O;BHCLDIPJJBTPIU-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272254;MM272254;CC(=O)NC(CF)CCF;IYDKEDOJZMEDDG-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272255;MM272255;CCCC(CC)NC(=N)N;LSVZZAYZUJCRCV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272256;MM272256;CCCC(CN)NC(=N)N;WIHCZLCIHCVLQK-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272257;MM272257;CCCC(CO)NC(=N)N;QGDQWFJJULVOGS-UHFFFAOYSA-N;145.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272258;MM272258;CCCC(CC)NC(N)=O;DHUHYTWTWVDQJQ-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272259;MM272259;CCC(CCO)NC(N)=O;YESOZTLSOZFECG-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272260;MM272260;CCCC(CO)NC(N)=O;QUHVKNFQOKCWBR-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272261;MM272261;CCC(CNC)NC(N)=O;WMKYEWPFNGGCFK-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272262;MM272262;COCC(CO)NC(C)=N;POBCAKRMWJKXSM-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272263;MM272263;COCC(CO)NC(=N)N;TYZLQWRYFRSREL-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272264;MM272264;COCC(CO)NC(N)=O;FMGHVYBTDOIOBD-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272265;MM272265;C=C(C)OC(CN)CCF;GKMCFCINDGCATA-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272266;MM272266;C=C(C)OC(CF)CCN;MJIPPPYIEXVNSP-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272267;MM272267;C=C(C)OC(CF)CCF;BGNJWPJTLBBREZ-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272268;MM272268;CCC(CCN)OC(C)=O;CVSXHZZLCXEFIF-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272269;MM272269;CC(=O)OC(CN)CCF;PCLCUYQBLHTLRN-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272270;MM272270;CC(=O)OC(CO)CCO;SDDGXTZPTOYNOA-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272271;MM272271;CCCC(CC)OC(=N)N;SJMLNQFJPCMXFE-UHFFFAOYSA-N;144.22;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272272;MM272272;CCC(CCN)OC(=N)N;UHPDZBPSZXWZHB-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272273;MM272273;CCC(CCO)OC(=N)N;WUDVBYAFYOMFPN-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272274;MM272274;CCC(CCF)OC(=N)N;HXZQYRBDSMVRNS-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272275;MM272275;CCCC(CN)OC(=N)N;QZRHZDFRCTWXLH-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272276;MM272276;CCCC(CO)OC(=N)N;PPKDKHSJSPJTFQ-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272277;MM272277;CCCC(CF)OC(=N)N;PHHCWQVVWPFFBK-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272278;MM272278;N=C(N)OC(CF)CCF;RXYZYAKXGYUDHK-UHFFFAOYSA-N;152.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272279;MM272279;CCCC(CC)OC(N)=O;GUMWTWBEQCYCCX-UHFFFAOYSA-N;145.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272280;MM272280;CCC(CCF)OC(N)=O;OUNAVRFIJRTCCB-UHFFFAOYSA-N;149.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272281;MM272281;CCCC(CF)OC(N)=O;CNTDVDVNMMBKIN-UHFFFAOYSA-N;149.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272282;MM272282;C=C(C)OC(CO)CNC;NDWWSKUKKYQQJE-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272283;MM272283;C=C(C)OC(CF)CNC;LHDFUOZJYFNVDH-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272284;MM272284;CNCC(CF)OC(C)=O;FJSGPCFKRLQTDC-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272285;MM272285;CCC(CNC)OC(=N)N;ITRIWJIYWRVVRL-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272286;MM272286;C=C(C)OC(CN)COC;CCYUFERCFZWSIH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272287;MM272287;C=C(C)OC(CO)COC;OUJJYANQFPMFMP-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272288;MM272288;COCC(CN)OC(C)=O;OVXQATZHCBRLEO-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272289;MM272289;COCC(CO)OC(=N)N;UMOPETNENXIRQS-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272290;MM272290;COC(CCN)OC(C)=O;VJLNLYFVQFMTGT-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272291;MM272291;COC(CCN)OC(=N)N;HGEUYWKZRGZTOX-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272292;MM272292;COC(CCO)OC(=N)N;DDWNYFISRSWLNB-UHFFFAOYSA-N;148.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272293;MM272293;COC(CCO)OC(N)=O;BOWVTAGLSFLZOA-UHFFFAOYSA-N;149.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272294;MM272294;CNCC(OC)OC(C)=O;VAVDRUSFRGLBGQ-UHFFFAOYSA-N;147.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272295;MM272295;CNCC(OC)OC(=N)N;RBZJFFXOQIQFTK-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272296;MM272296;COCC(OC)OC(C)=O;TYZJVJQPRPPSMO-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272297;MM272297;COCC(OC)OC(=N)N;SLPAPONTFYGJSI-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272298;MM272298;CCOC(CF)OC(=N)N;BMRFPAXBEYGZLN-UHFFFAOYSA-N;150.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272299;MM272299;C=CN(NC=NN)C(N)=O;VNWLDFOJZMBEMV-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272300;MM272300;CCN(CCF)NC(C)=O;SPZFGZMXKOEXDM-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272301;MM272301;CCCN(CC)NC(=N)N;AOXVSKAETXYQIE-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272302;MM272302;CCN(CCO)NC(=N)N;FIPSESITKDICPB-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272303;MM272303;C=C(C)CC(CF)CC=O;HBXGSHIVYSKPGS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272304;MM272304;C=C(C)CC(CF)CC#N;JNSGGOSJEWOKHW-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272305;MM272305;C=CCC(CF)CC(C)=O;CSHUKWYVLKVTKC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272306;MM272306;C=CCC(CC)CC(=N)N;FJYIQKTYPXKQJW-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272307;MM272307;CCC(CC=O)CC(=N)N;XOPKOKASZGAFOX-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272308;MM272308;C=CCC(CN)CC(=N)N;XIIQSALYTFAFAN-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272309;MM272309;C=CCC(CO)CC(=N)N;AOEBJEWUEFCBBX-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272310;MM272310;N#CCC(CO)CC(=N)N;TWWPANDYWDEJNX-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272311;MM272311;N=C(N)CC(CF)CC=O;JQKCBYWUBXXZJQ-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272312;MM272312;CN=CNC(=NC)C(N)=O;UUXTXHPMACSTFT-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272313;MM272313;C=CCC(CN)CC(N)=O;IXKJZLJLSSYXGM-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272314;MM272314;NC(=O)CC(CF)CC=O;VWTOTJRIYRXDTL-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272315;MM272315;C=CCC(CC)CC(=O)O;OMNOKLGNVLALJG-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272316;MM272316;C#Cc1nnn(N)c1O;YICWWCVRLBIKOZ-UHFFFAOYSA-N;124.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272317;MM272317;C=CCC(CF)CC(=O)O;XZSQHBYXVJCDNR-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272318;MM272318;C=C(F)CC(CF)CC=O;IFZCXMLKZNYXCF-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272319;MM272319;C=CCC(CC(=C)C)NC;SZAXQPLJRKYLRR-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272320;MM272320;C=C(C)CC(CC=O)NC;QYJUUKVIYOSHPT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272321;MM272321;CNC(CC=O)CC(C)=O;SGUCYSSYSMTGMJ-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272322;MM272322;C=CCC(CC(=N)N)NC;FPRIXMYUGHALIO-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272323;MM272323;C=CCC(CC(N)=O)NC;LYAKSDVQXFIECU-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272324;MM272324;C=C(C)CC(CC=O)OC;ZRSJVCJEXMSPBQ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272325;MM272325;C=CCC(CC(N)=O)OC;UHZLXEPAVVCGII-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272326;MM272326;COC(CC#N)CC(N)=O;IIHFDONTBIDXTP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272327;MM272327;NN=c1nnc(O)nn1N;CJIUZNINXJCKKI-UHFFFAOYSA-N;143.11;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272328;MM272328;C=C(F)CC(CC#N)OC;LNRQWXIHUMIVRW-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272329;MM272329;CCC(CC(C)=O)N=CN;GAYIYNBPELOLEV-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272330;MM272330;CCC(CC(N)=O)N=CN;UMLMCRPCPUZSOL-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272331;MM272331;C=C(F)CC(CF)NC=N;GFOKFCSHWJVSLU-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272332;MM272332;C=NNC(CC)CC(=C)F;XGWFGPQJSIKIKY-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272333;MM272333;C=C(C)CC(CN)OC=O;RINARUPNXIDXKV-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272334;MM272334;C=COC(CO)CC(=N)N;VHQMNVMWIIPNSQ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272335;MM272335;CCC(CC(N)=O)OC=O;DNPXOLDWYPZDFA-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272336;MM272336;C=COC(CO)CC(N)=O;QLSSDTGQIKBZDC-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272337;MM272337;C=C(F)CC(CN)OC=O;ISERQAQINFTMSD-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272338;MM272338;C=COC(CO)CC(=C)F;RKHISPTUAKFTGL-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272339;MM272339;C=COC(CC(=C)C)OC;KHWWWIACVBEZHC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272340;MM272340;C=COC(CC(=N)N)OC;NLDBPVMMNHIELP-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272341;MM272341;C=COC(CC(N)=O)OC;XNFYCPDULXLTJB-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272342;MM272342;C=COC(CC(=C)F)OC;BCMITYGQKHTQFV-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272343;MM272343;COC(N=CNO)=C(C)F;XGYDMEJTROUCEL-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272344;MM272344;C=CCC(CC)NC(C)=N;BUXYTWPOQKKVGU-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272345;MM272345;C=CCC(CN)NC(C)=N;QKEBOSYFBJDLIK-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272346;MM272346;C=CCC(CF)NC(C)=N;YSSCWWNYQCYSFJ-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272347;MM272347;CC(=N)NC(CF)CC=O;IXHJLHIIQZNYRA-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272348;MM272348;CC(N)=C(C#N)N=CNO;ICUFDYNAUOHRMP-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272349;MM272349;CCC(CC=O)NC(C)=O;SJNSPEVOLIVTDZ-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272350;MM272350;C=CCC(CF)NC(C)=O;NTXSPDNGSVBVOL-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272351;MM272351;CC(=O)NC(CF)CC=O;HMQXCTFJKCZPOT-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272352;MM272352;CC(=O)NC(CF)CC#N;PESOINDQBGBAKK-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272353;MM272353;C=CCC(CC)NC(=N)N;JDHMHMDVHDJZCW-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272354;MM272354;CCC(CC=O)NC(=N)N;JYTXLAIVESWWLA-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272355;MM272355;C=CCC(CN)NC(=N)N;LYNRLVYMWINLCK-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272356;MM272356;N#CCC(CF)NC(=N)N;AGODJNVGJNZAIR-UHFFFAOYSA-N;144.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272357;MM272357;C=CCC(CC)NC(N)=O;LVSKCKVZGFCEOR-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272358;MM272358;C=CCC(CN)NC(N)=O;ZEVPBHNZINWYOI-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272359;MM272359;N#CCC(CO)NC(N)=O;NXTVLFKWDZIJSD-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272360;MM272360;C=C(C)OC(CF)CC=O;XAYFJACWQSLWOK-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272361;MM272361;C=CCC(CF)OC(C)=O;FOGFWOKUPAJLKE-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272362;MM272362;C=CCC(CC)OC(=N)N;LXEVSLPYAIOPFG-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272363;MM272363;CCC(CC=O)OC(=N)N;KPFDPPPINWOBET-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272364;MM272364;C=CCC(CN)OC(=N)N;OOMAQGIJDYSDKR-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272365;MM272365;N#CCC(CO)OC(=N)N;IDHGOXCXQAONMN-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272366;MM272366;N#CCC(CF)OC(=N)N;VBDOLAGMSNDKDL-UHFFFAOYSA-N;145.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272367;MM272367;C=CCC(CC)OC(N)=O;FGISPJANHJFFMR-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272368;MM272368;C=CCC(CN)OC(N)=O;VCDWSEKOMJEPFI-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272369;MM272369;C=CCC(CO)OC(N)=O;GFJSJSBBYJZJSN-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272370;MM272370;C=CCC(CF)OC(N)=O;QTDJCYXJMHJMNO-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272371;MM272371;NC(=O)OC(CF)CC=O;BQGYJAURRNIILM-UHFFFAOYSA-N;149.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272372;MM272372;C=C(C)OC(CC#N)OC;CNMOKUNZNRQABD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272373;MM272373;COC(CC#N)OC(=N)N;RDFIKPQGMKBORI-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272374;MM272374;COC(CC#N)OC(N)=O;JGJDNYVSBLREAP-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272375;MM272375;CC(=O)OC(CO)OC=O;KLQRGPOMYYLENM-UHFFFAOYSA-N;148.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272376;MM272376;C=COC(CC)OC(=N)N;MQSVBUGHKYJBRK-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272377;MM272377;CCC(OC=O)OC(=N)N;XEXZOHWXLWBBPH-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272378;MM272378;C=COC(CO)OC(N)=O;QYGPOVATLPMWED-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272379;MM272379;CCON=CC(CC)CO;PTQSTVJGRMZGCV-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272380;MM272380;CCN(CC(C)=O)N=CN;HTZNAUVNXAPHJU-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272381;MM272381;C=C(F)CN(CC)NC=N;KCTMJRPHOSZNIO-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272382;MM272382;C=CCN(CC)NC(C)=N;YDGSBSFHTXOJFT-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272383;MM272383;N#CC1(CCNC=O)CN1;CVJRYOCSPXRJOQ-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272384;MM272384;CCN(CC=O)NC(C)=O;MBIJFFKZORYOEI-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272385;MM272385;C=CCN(CC)NC(=N)N;RAOZGCGXCNMTQL-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272386;MM272386;C#CCC(CC)CC(=C)C;SACHYYAXFYANJG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272387;MM272387;C#CCC(CC)CC(=N)N;QJZRMPBOISUGQD-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272388;MM272388;C#CCC(CN)CC(=N)N;JLVUFOULLRQCJG-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272389;MM272389;C#CCC(CF)CC(=N)N;DZTSCFVNEBUFOZ-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272390;MM272390;C#CCC(CF)CC(N)=O;GFCUMBWQFCCCPI-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272391;MM272391;C#CCC(CC(=C)C)NC;PJKLRGNBEZRSKV-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272392;MM272392;C#CCC(CC(C)=O)NC;BNOUISVQTAHKNO-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272393;MM272393;C#CCC(CC(N)=O)NC;IMPKTUBTCLCEMB-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272394;MM272394;C#CCC(CC(=N)N)OC;JFZFIJSRMNBBPU-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272395;MM272395;C#CCC(CC(N)=O)OC;RREVEGIZACTNCV-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272396;MM272396;Cn1nnc(O)nc1=N;BHUVPNJCAULELU-UHFFFAOYSA-N;127.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272397;MM272397;C#CCC(CC)NC(C)=N;ZWQXOLJQCFSPAI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272398;MM272398;C#CCC(CO)OC(=C)C;QQGJLGNDGOQCEJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272399;MM272399;C#CCC(CF)OC(C)=O;PINBVMPRNZBHEQ-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272400;MM272400;C#CCC(CC)OC(=N)N;JVNSIQSWFISRCI-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272401;MM272401;C#CCN(CC)NC(C)=O;OGJYAEFASDGCAP-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272402;MM272402;C=C(C)CC(C=O)CCF;BRSRYJMNLXYHEM-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272403;MM272403;C=C(C)CC(C#N)CCF;BAVUNOGTWMDQAF-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272404;MM272404;C=CC(CCF)CC(C)=O;BRMGNMUDWMGGTI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272405;MM272405;CCCC(C=O)CC(C)=O;KVKYWBUAOJTLOF-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272406;MM272406;C=CC(CCC)CC(=N)N;HNJXYYPIKPNIKS-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272407;MM272407;C=CC(CCN)CC(=N)N;LEJIRYSAZIWHCQ-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272408;MM272408;C=CC(CCO)CC(=N)N;DHFSNUHPPYGCPW-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272409;MM272409;CCCC(C=O)CC(=N)N;XXGOPAZBHGQHAP-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272410;MM272410;CCCC(C#N)CC(=N)N;IGIIJAXAASJVNZ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272411;MM272411;N=C(N)CC(C=O)CCO;NZQXECDCEOHZMH-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272412;MM272412;N#CC(CCF)CC(=N)N;PPSFBYIMJNCADH-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272413;MM272413;CC(=NN1CC1)C(=O)CF;KFMIHDPAFMFAFV-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272414;MM272414;CC1C(CO)CN1CC#N;QKYDJYDUSKDURD-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272415;MM272415;N#CC1=C(N)C(CO)CC1;BGDROALPEQEXJH-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272416;MM272416;CCCC(C#N)CC(N)=O;FQTSPTCRJLWDQG-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272417;MM272417;C=CC(CCC)CC(=O)O;KZWOOKRTUFEPDG-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272418;MM272418;C=CC(CCF)CC(=O)O;OZVPVNXWNWWRMS-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272419;MM272419;N=c1cc(CF)oc(O)n1;ALGJWXWLPQWSFY-UHFFFAOYSA-N;144.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272420;MM272420;N#CC(CCF)CC(=O)O;LJNMUEGXTYSKDE-UHFFFAOYSA-N;145.13;0.96;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272421;MM272421;C=CC(CCN)CC(=C)F;KBNRCALEJAXNFK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272422;MM272422;C#Cc1[nH]nc(C#N)c1N;UNJSQTQBRJUZLF-UHFFFAOYSA-N;132.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272423;MM272423;C=C(F)CC(C=O)CCC;XGFZHFAKIQHHBU-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272424;MM272424;C=C(F)CC(C=O)CCF;VTNQEDGZTBHAPL-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272425;MM272425;C=C(C)CC(C=O)CNC;IQEHDCWAXUKLSE-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272426;MM272426;C=CC(CNC)CC(=N)N;HTJYAPQXLZLXMB-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272427;MM272427;CNCC(C=O)CC(=N)N;ZVXRDILEUYJWEI-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272428;MM272428;CNCC(C=O)CC(N)=O;WUNHXNDGSOFARW-UHFFFAOYSA-N;144.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272429;MM272429;C=CC(CNC)CC(=C)F;FJTDKHZIJQXCFD-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272430;MM272430;COCC(C#N)CC(=N)N;FBVFZWLGZCEUOS-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272431;MM272431;C=CC(CO)C1NC1C=O;DBLOUVMFTZDZJC-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272432;MM272432;Cc1nc(=NO)[nH]n1O;ISTLCWWFVGGTCS-UHFFFAOYSA-N;130.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272433;MM272433;C=C(F)CC(C=O)COC;WBJCOQMZVSDWGV-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272434;MM272434;C=C(F)CC(C#N)COC;CQIZDQWFOYBPNY-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272435;MM272435;C=CC(CC(=C)C)NCC;RFRQXMVWBVLIPS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272436;MM272436;C=C(C)CC(C=O)NCC;QNYXGYXOWAMXRS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272437;MM272437;C=CC(CC(=N)N)NCC;XSHCROWWHDXKGR-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272438;MM272438;C=CC(CC(N)=O)NCC;LNTFULBFIHGAFP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272439;MM272439;C=CC(CC(=C)F)NCC;MQCSWJGHHZQQKR-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272440;MM272440;C=C(F)CC(C#N)NCC;HCAZBYDENBITDK-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272441;MM272441;CCOC(C#N)CC(C)=O;UCLANATWSBHOEJ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272442;MM272442;C=CC(CC(=N)N)OCC;MEERSHIPVWCJKR-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272443;MM272443;CCOC(C#N)CC(=N)N;PZCOEWHQBMAYSP-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272444;MM272444;CCOC(C#N)CC(N)=O;ZGXGQZBZRZEZEO-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272445;MM272445;C=C(F)CC(C#N)OCC;DYNTVXAYIUDCHB-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272446;MM272446;C=CC(CCC)NC(C)=N;HWRFXWDDRFJEDV-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272447;MM272447;C=CC(CCN)NC(C)=N;XEECHUKNENPUGS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272448;MM272448;C=CC(CCF)NC(C)=N;YZKHYKVSYOZJRY-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272449;MM272449;CCCC(C=O)N=C(C)N;OYEMRJMEHVMLQQ-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272450;MM272450;CCCC(C#N)NC(C)=N;GZRFEUWTPYYCOA-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272451;MM272451;CC(=N)NC(C=O)CCF;LVFHJOUVQDKTOI-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272452;MM272452;CCCC(C#N)NC(C)=O;GNMPNRWZFIKEIO-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272453;MM272453;CC(=O)NC(C#N)CCF;LJYLQQSFKVOGLK-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272454;MM272454;C=CC(CCC)NC(=N)N;IGBBACIMIDSJDM-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272455;MM272455;C=CC(CCO)NC(=N)N;AEXRVRZHRVGLRI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272456;MM272456;CCCC(C=O)NC(=N)N;QOZJJXFJBZJORT-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272457;MM272457;N#CC(CCO)NC(=N)N;DJUULJJSPODWHF-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272458;MM272458;C=CC(CCC)NC(N)=O;LTLKNOGIDFQRKM-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272459;MM272459;CCCC(C=O)NC(N)=O;PRCDVBPWKMQTBT-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272460;MM272460;N#CC(CCO)NC(N)=O;XZUQLGVMIYSOOR-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272461;MM272461;C=CC(CNC)NC(C)=N;SVKKCWGXKWYLMT-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272462;MM272462;C=CC(CNC)NC(=N)N;CGKPLTQALHICHM-UHFFFAOYSA-N;142.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272463;MM272463;COCC(C#N)NC(C)=N;TWRWGSLOJKTATC-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272464;MM272464;C=CC(COC)NC(=N)N;NUHIMCHILGKLMY-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272465;MM272465;COCC(C#N)NC(=N)N;KBDRASOSGRHFIT-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272466;MM272466;COCC(C#N)NC(N)=O;YGNHMKKOBUBMCJ-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272467;MM272467;C=C(C)OC(C=O)CCC;ZBRPKBPNWDMMMA-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272468;MM272468;C=C(C)OC(C#N)CCO;RPPPRMXFNYJDSQ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272469;MM272469;C=C(C)OC(C=O)CCF;WVJBRUYUTCPLPV-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272470;MM272470;CCCC(C=O)OC(C)=O;KLCJXOPUCJLTHE-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272471;MM272471;CC(=O)OC(C=O)CCF;WYDGIKCBTIEERN-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272472;MM272472;C=CC(CCC)OC(=N)N;QYFCIEXKAWPWQQ-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272473;MM272473;C=CC(CCN)OC(=N)N;YHNUONBWEAVXMR-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272474;MM272474;CCCC(C=O)OC(=N)N;FRORDOUJKGCLAX-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272475;MM272475;NC(=O)OC(C=O)CCF;JEBUHMSVHRTEFO-UHFFFAOYSA-N;149.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272476;MM272476;C=CC(CNC)OC(=N)N;AXWHTMKZUIPNPH-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272477;MM272477;C=C(C)OC(C#N)COC;WLGZRCLMXUCWGM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272478;MM272478;COCC(C=O)OC(C)=O;YMFFCTUXZWPDPJ-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272479;MM272479;COCC(C#N)OC(=N)N;MSMRRUJYFRAHRW-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272480;MM272480;C=C(C)OC(C#N)OCC;TYWATZNORNNNQR-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272481;MM272481;CCOC(C=O)OC(C)=O;IXTFHSSRCHRPPX-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272482;MM272482;CCOC(C#N)OC(C)=O;RNFFJQTYFKKSIL-UHFFFAOYSA-N;143.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272483;MM272483;CCOC(C=O)OC(=N)N;LCVZBSQQCCIRRM-UHFFFAOYSA-N;146.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272484;MM272484;CCOC(C=O)OC(N)=O;LXYUMCUFORPXHK-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272485;MM272485;CCOC(C#N)OC(N)=O;HDVRJVCSHMEJEZ-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272486;MM272486;CC(=O)C(CF)CC(=O)O;RIMCDAJVELHGQJ-UHFFFAOYSA-N;148.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272487;MM272487;C=C(F)CN(C=N)CCO;ADUOBJHDDSSOPJ-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272488;MM272488;C=C(F)CN(C=O)CCO;FFOXELQYHPQPBB-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272489;MM272489;C=CC(CO)C1NC1C#N;YIGHOBFXMAMJLP-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272490;MM272490;C=NN(CCF)CC(=N)N;BNWABOWMBCGQSV-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272491;MM272491;C=CC(CO)C1CN1N=C;RYFYDSKWNKWXSX-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272492;MM272492;C=NN(CCN)CC(=C)F;QGKZFINEYGQPMX-UHFFFAOYSA-N;145.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272493;MM272493;CCNN(C=N)CC(C)=O;OFGIXFVVEQIHHC-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272494;MM272494;C=C(F)CN(C=N)NCC;XNACONJEBXEGMU-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272495;MM272495;CCON(C=O)CC(=N)N;JBWBMRCQNSZLCK-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272496;MM272496;CCON(C=O)CC(N)=O;XMHLGSHLWDYADI-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272497;MM272497;CC(=N)NN(C=N)CCO;JKVMBFJXGUDWPL-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272498;MM272498;CCCN(C=O)NC(C)=N;LITWEPBOORIZMO-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272499;MM272499;CC(=O)NN(C=O)CCO;LWENITGZEIHNPT-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272500;MM272500;N=CN(CCO)NC(=N)N;UNPCVAASIHWZBT-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272501;MM272501;CON=CN=CN=CNO;FQVAHRYUGYVRMN-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272502;MM272502;CC(=O)ON(C=N)CCF;BPEGTHMOGYTYQM-UHFFFAOYSA-N;148.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272503;MM272503;CC(=O)ON(C=O)CCO;GZKDQSWRIBKFPK-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272504;MM272504;CC(=O)ON(C=O)CCF;MTSCZVGRSQNXHY-UHFFFAOYSA-N;149.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272505;MM272505;N=CN1CCC(CO)C=N1;VRYCPFVFFHRTPN-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272506;MM272506;CCCN(C=O)OC(N)=O;MPLLLCYXUCJFPE-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272507;MM272507;NCCN(C=O)OC(N)=O;BIAZCHDDALUILB-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272508;MM272508;NC(=O)ON(C=O)CCO;HIZYPDVMRGAFJT-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272509;MM272509;C=CCC(C=C)CC(=C)C;VOJQCCXFXJJHIO-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272510;MM272510;C=CC(CC#N)CC(=C)C;GTUBSLFQIIFBNI-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272511;MM272511;C=CCC(C=O)CC(=C)C;CIGQDKPXQHAOEC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272512;MM272512;C=CCC(C#N)CC(=C)C;BUQZMIQLKXSZON-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272513;MM272513;C=C(C)CC(C#N)CC#N;GSLSSMSCMRWAIW-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272514;MM272514;C=CCC(C=C)CC(=N)N;OWXYPOCOIIXWMN-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272515;MM272515;C=CC(CC=O)CC(=N)N;IXKAXUOPWIKIBO-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272516;MM272516;C=CCC(C=O)CC(=N)N;HRTNDHSDUVRORH-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272517;MM272517;C=CCC(C#N)CC(=N)N;PVMPPIZIVJPYDK-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272518;MM272518;CCC(C=NN1CC1)CO;SYAMAXDLHXXMGO-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272519;MM272519;OCC1C=CC2(CF)NC12;LYLUEWBPASJGIX-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272520;MM272520;C=CCC(C=O)CC(N)=O;KOTFSYPBKGVFPF-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272521;MM272521;N#CCC(C#N)CC(N)=O;IYUUWVRHWSRNJI-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272522;MM272522;C=CC(CC=O)CC(=C)F;NHMLXMPWIZSMKS-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272523;MM272523;C=CC(CC#N)CC(=C)F;VMLYZKODDPGXHS-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272524;MM272524;C=C(F)CC(C=O)CC=O;ONIRESLEXZYQQA-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272525;MM272525;C=C(F)CC(C#N)CC#N;IPYBWNZBJITYRE-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272526;MM272526;C=CC(CC(C)=O)N=CN;FUXDLEKTVGUTDC-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272527;MM272527;C=CC(CC(C)=O)NC=O;PAMRMWWJZNFCRJ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272528;MM272528;CC(=O)CC(C#N)NC=O;QMTJJHVCISFMER-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272529;MM272529;N#CC(CC(=N)N)NC=N;SZQJTHBBRNETDI-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272530;MM272530;N#CC(CC(N)=O)NC=N;RKSUCLQUBDJZMT-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272531;MM272531;N#CC(CC(N)=O)NC=O;SBDOHWDRNYKJHV-UHFFFAOYSA-N;141.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272532;MM272532;CCC1(C=O)CC1C(=O)O;JOHQUAGLEZICKS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272533;MM272533;C=CC(CC(=C)F)NC=N;SLNSLDUNPPGAKJ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272534;MM272534;C=C(F)CC(C=O)NC=N;IFTOTYBNJVOYGQ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272535;MM272535;C=C(F)CC(C=O)NC=O;WSFYADVSGHKWCE-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272536;MM272536;C=NNC(C#N)CC(=N)N;UXVLDBFMPMTEHM-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272537;MM272537;C=CC12C=CC(CO)C1N2;DUBOYVGIXVBWHF-UHFFFAOYSA-N;137.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272538;MM272538;O=CC12C=CC(CO)C1N2;LIGVBQNTXQOSRB-UHFFFAOYSA-N;139.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272539;MM272539;C=CC(CC(C)=O)OC=O;QICONJRBWFWCDI-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272540;MM272540;C=COC(C#N)CC(=N)N;JUECWYMOKWURRE-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272541;MM272541;C=COC(C#N)CC(N)=O;HCBZMMBPBGVMHQ-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272542;MM272542;C=C(F)CC(C=O)OC=O;VYCMDWZDGSPENJ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272543;MM272543;C=NOC(C#N)CC(=N)N;YSQPHCMQMODXFI-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272544;MM272544;C=NOCC(N)=O;SYAAHXLPAGHNBL-UHFFFAOYSA-N;102.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272545;MM272545;CNN=CC(C)CO;QZBSMJLEMVCNRA-UHFFFAOYSA-N;116.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272546;MM272546;C=CCC(C=C)NC(C)=N;OSGGDFHYZPGDQY-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272547;MM272547;CC(=N)NC(C=O)CC#N;IRXKBKPAUHYXJY-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272548;MM272548;CC(=O)NC(C=O)CC=O;NNGRHSAOJAZTIC-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272549;MM272549;CC(=O)NC(C=O)CC#N;SOIUGENFTHDILF-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272550;MM272550;N#CCC(C=O)NC(=N)N;AMZXAQRKQZMMGP-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272551;MM272551;N#CC(CC=O)NC(=N)N;XZWHAMRJIMZEHU-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272552;MM272552;C=CC(CC=O)NC(N)=O;YQBOSJINAXNUOS-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272553;MM272553;N#CCC(C=O)NC(N)=O;YMSOKHQLEYFQKQ-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272554;MM272554;N#CC(CC=O)NC(N)=O;ZOKUILXQKKSCRF-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272555;MM272555;C=CC(CC=O)OC(=C)C;WFEWSEGXWHPRFI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272556;MM272556;N#CCC(C=O)OC(=N)N;GYEUJXFTMHUJMY-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272557;MM272557;C=CC(CC=O)OC(N)=O;CXQNYWXVKUAKAH-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272558;MM272558;N#CCC(C=O)OC(N)=O;YYVMRHDPNNYZEX-UHFFFAOYSA-N;142.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272559;MM272559;N#CCC(C#N)OC(N)=O;HMPGEOZESFRSLM-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272560;MM272560;C=COC(C#N)OC(=C)C;AYPJNQVXCWRDHQ-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272561;MM272561;C=COC(C=O)OC(=N)N;FJYHYAVYSDEDDF-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272562;MM272562;C=CC(OC=O)OC(N)=O;LSISCDCXXNVFPW-UHFFFAOYSA-N;145.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272563;MM272563;C=COC(C=O)OC(N)=O;CMJRATAYGXIGQT-UHFFFAOYSA-N;145.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272564;MM272564;C=NOC(C#N)OC(=C)C;XGYDHBSQXAMBID-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272565;MM272565;Cc1[nH]nc(F)c1C;MLXSAAJOUZNXQQ-UHFFFAOYSA-N;114.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272566;MM272566;C=CCN(C=N)CC(=C)C;UENDVFZWKHLMQM-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272567;MM272567;C=C(C)CN(C=N)CC=O;HWNSXGCIOMJFKW-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272568;MM272568;C=CCN(C=O)CC(=C)C;SJKBWDPECLKVRS-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272569;MM272569;NN=CCC1CC1O;LWCNWWVQKYKLAE-UHFFFAOYSA-N;114.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272570;MM272570;N#CCN(C=N)CC(=N)N;MVDDVXLLJOSROV-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272571;MM272571;N=C(N)CN(C=O)CC=O;FQKXIHGSZSSRNU-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272572;MM272572;N#CCN(C=O)CC(=N)N;GOHPBUJOMYDPNS-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272573;MM272573;N#CCN(C=O)CC(N)=O;SXICUPXXXUDTQQ-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272574;MM272574;O=c1[nH]onc1NCCF;GMIKLBZNLSNNQF-UHFFFAOYSA-N;147.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272575;MM272575;C=CCN(C=O)CC(=C)F;SFKLITSQKJMDPF-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272576;MM272576;C=NN(CC#N)CC(=C)C;JYJIKYCHOWYBCN-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272577;MM272577;C=CCN(CC(=N)N)N=C;WMYWVBNRFDSETE-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272578;MM272578;C=NN(CC#N)CC(=N)N;SVSVJDFZLFNYMD-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272579;MM272579;CC(=CC(F)F)C(N)=O;NFXVDSRMPRXJBY-UHFFFAOYSA-N;135.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272580;MM272580;CC(C=NN(C)C)CO;RIHMJVIBIUKIJC-UHFFFAOYSA-N;130.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272581;MM272581;C=NOCOCC(N)=O;KUSQGJGFNACGMT-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272582;MM272582;O=c1[nH]onc1NC1CC1;XVOCWGBMKIDJKA-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272583;MM272583;O=c1[nH]nnn1O;LUPNLHBSWQYEQR-UHFFFAOYSA-N;102.05;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272584;MM272584;COC=CN(N)C(N)=O;CUFCAQRBNPTAMP-UHFFFAOYSA-N;131.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272585;MM272585;CC(C=CC=O)C(=O)O;JFWRMOCOQMLLCY-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272586;MM272586;C=COCC(=O)NOC;ZBANFZDZWKKRRE-UHFFFAOYSA-N;131.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272587;MM272587;C=C(F)CN(C=O)NC=O;OFVRDVKZTYIZBV-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272588;MM272588;CC=COCC(=O)NOC;YTRAWUUDKDYIKV-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272589;MM272589;O=C(O)CCC1CO1;PPABWZVICOTUPJ-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272590;MM272590;CC(=N)NN(C=N)CC#N;YDXLVHSPUPPTCR-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272591;MM272591;CC(=N)NN(C=O)CC#N;MHIOECXTKABSID-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272592;MM272592;CC(=O)NN(C=O)CC=O;CVTFCOPPWMUIID-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272593;MM272593;CC(=O)NN(C=O)CC#N;NACSCNTTZKORKQ-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272594;MM272594;C=CCN(C=N)OC(C)=O;UAKQSNUIHJLWAT-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272595;MM272595;C=CCN(C=O)OC(C)=O;MQNCGNUUBWIXNB-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272596;MM272596;C#CCC(C=C)CC(=N)N;HDGBDBMSGBHZSY-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272597;MM272597;C#CCC(C=O)CC(=N)N;VNXWSXCBHNQQHI-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272598;MM272598;COC(=O)CN=CNO;RVNNEFLMTNLWGC-UHFFFAOYSA-N;132.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272599;MM272599;C#CCC(C=C)CC(=O)O;KWSFDGQJRRGJBH-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272600;MM272600;C#CCC(C#N)CC(=O)O;CXCOHSLXUQXMHB-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272601;MM272601;C#CCC(C=O)CC(=C)F;OJOQMOXHSVUYEZ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272602;MM272602;C#CCC(C=O)NC(C)=O;QPGGGHFPMBSYDT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272603;MM272603;C#CCC(C=C)NC(=N)N;RVKJQRCQVHDAOW-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272604;MM272604;C#CCC(C#N)NC(=N)N;USWMCEVKUADQTN-UHFFFAOYSA-N;136.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272605;MM272605;C#CCC(C=O)NC(N)=O;OZFDIOJKSISLDJ-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272606;MM272606;C#CCC(C#N)NC(N)=O;SIRBCJLDVAJHHI-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272607;MM272607;C#CCC(C=O)OC(=C)C;YQDNDIMGRUYYLS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272608;MM272608;C#CCC(C=C)OC(C)=O;FFDCUZXZAJFJDT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272609;MM272609;C#CCC(C=O)OC(C)=O;XZNGEAJQMKUMOR-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272610;MM272610;C#CCC(C#N)OC(C)=O;JXFBGGDKUYXRFV-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272611;MM272611;C#CCC(C=C)OC(=N)N;NJPMMBILTYMRLH-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272612;MM272612;C#CCC(C=O)OC(N)=O;SAINHGLSZBAVAH-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272613;MM272613;COCC(=O)NOCC#N;MNBGZJCTQXUUOB-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272614;MM272614;C#CCN(CC(=C)C)N=C;QDUXEBVQBWYMRE-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272615;MM272615;C#CCN(CC(=N)N)N=C;RHNFXFPPNWFXBF-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272616;MM272616;CCON=CC(C)CO;VXBBBXHRHHGMLT-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272617;MM272617;C#CCN(C=O)NC(=N)N;VVPSZQPQAGUKOI-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272618;MM272618;C#CCN(C=O)NC(N)=O;DPOBDNRXFYHOCP-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272619;MM272619;C#CCN(C=N)OC(C)=O;RYSJNSWCKZICCV-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272620;MM272620;C=NOC(C)C(C)CO;FNGQZWAPSJRJHW-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272621;MM272621;C#CC(CCF)CC(=C)C;KODKXSDNFRUDKE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272622;MM272622;C#CC(CCC)CC(=N)N;YZYDSODWKLDZKJ-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272623;MM272623;C#CC(CCF)CC(=N)N;LZDVLDYWHCYBBC-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272624;MM272624;CC(CC1CC1O)=NN;MRRXGEADMYLTGZ-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272625;MM272625;C#CC(CCF)CC(=C)F;OZPGLJFUFWWSHH-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272626;MM272626;C#CC(COC)CC(C)=O;JAUCVVRXEPAXLD-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272627;MM272627;C#CC(COC)CC(=N)N;NDZXTSMYIWVLHR-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272628;MM272628;C#CC(CC(C)=O)NCC;BUADBPNYIQEXNQ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272629;MM272629;C#CC(CC(=C)C)OCC;CQEDDLBIJWMDCS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272630;MM272630;C#CC(CC(=C)F)OCC;OVNFFZULGFSGTJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272631;MM272631;C#CC(CCC)NC(C)=N;UJRVVAVEBQQXQJ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272632;MM272632;C#CC(CCF)NC(C)=O;JZEKAHAIIKNDAT-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272633;MM272633;C#CC(CCF)NC(=N)N;NMYYJBDYEDQYMX-UHFFFAOYSA-N;143.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272634;MM272634;C#CC(CCF)NC(N)=O;HPUHYXQLRBTGQD-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272635;MM272635;C#CC(COC)NC(=N)N;REXYXMQERFHGBQ-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272636;MM272636;C#CC(COC)NC(N)=O;HLFFWROFIDZNCQ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272637;MM272637;C#CC(CCC)OC(=C)C;WFFONYVELCETMV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272638;MM272638;C#CC(CCO)OC(C)=O;XUISCUBZUMQRMS-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272639;MM272639;C#CC(CCC)OC(=N)N;SCUHSZHWJJSFCL-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272640;MM272640;C#CC(CCF)OC(=N)N;ARAYAVVGWNVKJL-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272641;MM272641;C#CC(CCN)OC(N)=O;WDLRPVCTISOQTQ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272642;MM272642;C#CC(CNC)OC(=C)C;RXTGXVGALXNYRA-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272643;MM272643;C#CC(CNC)OC(N)=O;ACMLDWPFMHGQTK-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272644;MM272644;C#CC(OCC)OC(=C)C;IZPOIYPQLCJJAN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272645;MM272645;C#CC(OCC)OC(C)=O;LEMOQLXFPOFBQY-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272646;MM272646;C#CC(CC=O)CC(=C)C;YIRORAHEHBVCHO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272647;MM272647;C#CC(CC#N)CC(C)=O;ULMVBVCUDSSDPO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272648;MM272648;C#CC(CC=C)CC(=N)N;QAQANMICCXQTIL-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272649;MM272649;C#CC(CC=O)CC(=N)N;UFXSXQGAXIONRM-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272650;MM272650;C#CC(CC=C)CC(=O)O;CWKYHNFFGUWJEQ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272651;MM272651;COCOCC=CC(=O)O;RQZDEWMWUPTNLJ-UHFFFAOYSA-N;146.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272652;MM272652;C#CC(CC#N)CC(=O)O;DAQJNAZRMSNRRC-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272653;MM272653;C#CC(CC=O)CC(=C)F;ARGXYWSRKRIUGN-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272654;MM272654;C#CC(CC(C)=O)OC=O;UKZVLHCGWOHAJP-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272655;MM272655;CONC(=O)C(C)O;NBZMTXOQGVHQDC-UHFFFAOYSA-N;119.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272656;MM272656;C#CC(CC=O)NC(C)=N;QPLJHABGCNMBEW-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272657;MM272657;C#CC(CC#N)NC(=N)N;GKJIZTNUPONVIO-UHFFFAOYSA-N;136.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272658;MM272658;C#CC(CC#N)NC(N)=O;CPDLGFSJKGIRCN-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272659;MM272659;C#CC(CC#N)OC(C)=O;WMASXQUBPFEZNW-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272660;MM272660;C#CC(CC=O)OC(N)=O;DWJWBNLBIATJLI-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272661;MM272661;C#CC(OC=O)OC(=N)N;ODYNSCNCLTVRGR-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272662;MM272662;C#CCC(C#C)CC(N)=O;PNNBPAYIRKPVKX-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272663;MM272663;C#CCC(C#C)NC(C)=O;VADXCWSUJICVGK-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272664;MM272664;C#CCC(C#C)OC(=C)C;XWNQNMDTRDKOJJ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272665;MM272665;CCC(C=CF)CC(C)N;HBKIVZKDYVVRHP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272666;MM272666;CC=CC(CN)CC(C)N;ZXMAEESLICIYBV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272667;MM272667;CC=CC(CF)CC(C)N;XJPSGNQGAQCPOA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272668;MM272668;CC=CC(CF)CC(C)O;HKRABDMITBJMAY-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272669;MM272669;CC(O)CC(C=CF)CF;FAQYVAYPDCMBFI-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272670;MM272670;CC=CC(CC)CC(C)F;GBJSXNUPQWYYKT-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272671;MM272671;CC(F)CC(C=CF)CN;QQPSMECDCOQXMG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272672;MM272672;CC(F)CC(C=CF)CF;POPMMYAWNYKIIB-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272673;MM272673;FC=CC(CF)CC(F)F;FAAALIOQSZNYNC-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272674;MM272674;CC(C)CC(C=NN)CF;OTZSMHUYTCKKDO-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272675;MM272675;CCC(C=NO)CC(C)O;UQUTYVMSZXOWDR-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272676;MM272676;CCC(C=NN)CC(F)F;ZNOXDMBNCHNUHB-UHFFFAOYSA-N;150.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272677;MM272677;CC=CC(CC(C)C)NC;LJDUTXIGQNATTO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272678;MM272678;CC=CC(CC(C)N)NC;WZXSVFNOZADLQJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272679;MM272679;CC=CC(CC(C)O)NC;MQLQSKBVYDAWDS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272680;MM272680;CNC(C=CF)CC(C)F;WJRHDGJPUBPGMA-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272681;MM272681;CNC(C=CF)CC(F)F;PEVYBOWWCPESDX-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272682;MM272682;COC(C=CF)CC(C)O;APGSFOQYUWLHQT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272683;MM272683;COC(C=NN)CC(C)F;CLFUGLAVTDTVMQ-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272684;MM272684;COC(C=NN)CC(F)F;LPYACIUKUPDPRW-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272685;MM272685;CC=CC(CC)NC(C)C;OMVXODNVQSAPIX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C3";;;;;;;3.9;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272686;MM272686;CCC(C=NN)OC(C)C;DEEJTGCUVMPZID-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272687;MM272687;CC=CC(CN)CN(C)C;RHXDEJJSYGBTPF-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272688;MM272688;CC=CC(CF)CN(C)C;FDMMXJSWGJCYCY-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272689;MM272689;CCC(C=NN)CN(C)C;XPFSYQAGEAQKPS-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272690;MM272690;CN(C)CC(C=NN)CF;FMCOJSNCMQONMQ-UHFFFAOYSA-N;147.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272691;MM272691;CC=CC(CN(C)C)NC;VEYCPYFAICRIEN-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272692;MM272692;CCN(C=NC)CC(C)C;QZBQQFIYOZSSPR-UHFFFAOYSA-N;142.25;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272693;MM272693;CCN(C=NC)CC(C)N;QCLUDDZFNKMIHG-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272694;MM272694;CN=CN(CC(C)N)NC;AICPQDMQKVBGIF-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272695;MM272695;CN=CN(CC(C)O)NC;GXTKIBGWCYBLBE-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272696;MM272696;O=CCN1CC(CO)C1;CABVKBSVFFBCTQ-UHFFFAOYSA-N;129.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272697;MM272697;CON(C=NO)CC(C)C;ZQWHMDLXWDHMSV-UHFFFAOYSA-N;146.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272698;MM272698;N#CCN1CC(CO)C1;ZCDPODXCCCCLOT-UHFFFAOYSA-N;126.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272699;MM272699;CC=NN(CC)CC(C)N;VANGLBDOSJYRKD-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272700;MM272700;CC(C)CC(C=O)C=CF;FJFUEIXLWFDAIB-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272701;MM272701;CON=CCC1CC1O;DOPFJFJSKPDCGK-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272702;MM272702;CC=CC(C=O)CC(C)O;LPFGYSSCJDVBRV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272703;MM272703;CC=CC(C=O)CC(C)F;RAFKSVBENAIMMB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272704;MM272704;CC(F)CC(C=O)C=CF;SNAVTZFEYQZBAR-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272705;MM272705;C=CC(C=CF)CC(F)F;QAYPXPGMRKNXPB-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272706;MM272706;C=NOCC(CC)CO;FDPAXFQGZIWYBG-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272707;MM272707;C=CC(C=NN)CC(F)F;ONNQRWTZNPLCEF-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272708;MM272708;C=CC(C=CC)NC(C)C;WCAAYVQLLAPPIG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272709;MM272709;CC=CC(C#N)NC(C)C;PSBXENGYDOTCDA-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272710;MM272710;C=CC(C=NN)OC(C)C;XQVUMOHRJJIKMS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272711;MM272711;C=CC(C=CF)CN(C)C;OFYMNPTVRPKBKF-UHFFFAOYSA-N;143.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272712;MM272712;CC=CC(C=O)CN(C)C;VVDYVAAPOXFKJH-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272713;MM272713;CC(N)CN(C=N)C=CF;SFBLHUMBUFXTEH-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272714;MM272714;CC(O)CN(C=N)C=CF;ZIIMYCXDIMGMRF-UHFFFAOYSA-N;146.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272715;MM272715;CC(F)CN(C=O)C=CF;PGABEWHCACAFAP-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272716;MM272716;CN=CN(C=O)CC(C)C;GFPUAWHNOQASMR-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272717;MM272717;C=CN(C=NC)CC(C)N;GUCUCQGYJAQXJH-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272718;MM272718;C=NN(C=NC)CC(C)C;HHMUQGBCKOAZQQ-UHFFFAOYSA-N;141.22;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272719;MM272719;C=CC(CO)CNN=C;IZZZMINGXHGUQJ-UHFFFAOYSA-N;128.18;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272720;MM272720;C=NN(C=NO)CC(C)O;JPSGBGZZXLEJQH-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272721;MM272721;C=NN(C=NC)CC(C)F;JNRGTBADZZRZGH-UHFFFAOYSA-N;145.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272722;MM272722;CC=NN(C=N)CC(C)C;YJZCXUHNIKEYTG-UHFFFAOYSA-N;141.22;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272723;MM272723;CC=NN(C=O)CC(C)C;UFRNFTGRWPUGRL-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272724;MM272724;CC=NN(C=N)CC(C)F;CHWWONVGCITGCF-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272725;MM272725;CC=NN(C=N)CC(F)F;VBTBXPLCVCSHOI-UHFFFAOYSA-N;149.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272726;MM272726;CC(C)NN(C=O)C=CF;IZMVTUUMAQEFCF-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272727;MM272727;C=CN(C=NC)NC(C)C;YUYDPXLDUNPUMS-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272728;MM272728;CC=CN(C=O)OC(C)C;MCZXLZSZKSELPQ-UHFFFAOYSA-N;143.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272729;MM272729;C=CN(C=NO)OC(C)C;LFZRERXQDGJPAU-UHFFFAOYSA-N;144.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272730;MM272730;C#CC(C=CC)CC(C)C;VZKQXUWIQMRXOD-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272731;MM272731;C#CC(C=CF)CC(C)N;JOQBPECHBQPERT-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272732;MM272732;O=CN1CC(CO)CN1;JMLIEVHZUKBHEO-UHFFFAOYSA-N;130.15;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272733;MM272733;C=Cc1c[nH]c(N=N)c1;ONOFEOZFCGIYTN-UHFFFAOYSA-N;121.14;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272734;MM272734;C#CC(C=CF)CC(F)F;JGKMWFLEKZCQFY-UHFFFAOYSA-N;148.13;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272735;MM272735;C#CC(C=NO)CC(C)O;OQIFHOSONPVTTM-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272736;MM272736;C#CC(C=CC)NC(C)C;PLMVBEYJFABOPE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272737;MM272737;C=C(C)CC(C=CC)CC;BADURIZPQOMXBM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272738;MM272738;CC=CC(CO)CC(C)=O;OTCBYAQCFZZCMF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272739;MM272739;CC(=O)CC(C=CF)CF;IBFJSKKHNLZKHN-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272740;MM272740;CC=CC(CC)CC(=N)N;PTNUMQCCOUMOKE-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272741;MM272741;CCC(C=CF)CC(=N)N;HQQXABDLHOXPRA-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272742;MM272742;N=C(N)CC(C=CF)CN;XXHRLJIIUKLXPK-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272743;MM272743;CC=CC(CF)CC(=N)N;SZFAQKYDXZZAKN-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272744;MM272744;CC(C=NN1CC1)CO;SIKQDVZLPBHHOW-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272745;MM272745;O=CC1NC1C(=O)CF;OMYBPXJXULERFQ-UHFFFAOYSA-N;131.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272746;MM272746;CC=CC(CN)CC(N)=O;WQVPPAYINCOVDK-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272747;MM272747;C=NOC(C)(C)C(C)CO;RBZLSYRLPZLGIS-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272748;MM272748;NC(=O)CC(C=CF)CF;RWKIDYWVMDCXIA-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272749;MM272749;CCC(C=CF)CC(=O)O;GDKDFAHIOWODRD-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272750;MM272750;CC=CC(CF)CC(=O)O;ZSKJKJVVHNNWFA-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272751;MM272751;O=C(O)CC(C=CF)CF;DVCMRGOFQUGPPI-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272752;MM272752;C=C(F)CC(C=CF)CN;YITZVCZTBOIUMW-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272753;MM272753;C=C(C)CC(C=NN)CF;MYUYGDNEKOAPID-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272754;MM272754;CCC(C=NN)CC(=N)N;WMDCJRMXFWGZPG-UHFFFAOYSA-N;142.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272755;MM272755;CCC(C=NO)CC(=N)N;PEOIFDJCWRXYCU-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272756;MM272756;C=C(C)CC(C=CC)NC;XVGROYDPEQUUAU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272757;MM272757;C=C(C)CC(C=CF)NC;MZHVJSZHCDYDCI-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272758;MM272758;CNC(C=CF)CC(=N)N;VMSVKQNPGUTUKX-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272759;MM272759;C=C(F)CC(C=CF)NC;FGVPTSGNJNMBLE-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272760;MM272760;C=C(C)CC(C=NO)NC;XKKJLEGQXQTXEP-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272761;MM272761;CC=CC(CC(N)=O)OC;FFMKIUFLJJELRW-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272762;MM272762;COC(C=CF)CC(N)=O;OUYCHLANWJSCEE-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272763;MM272763;C=C(F)CNC(=O)C(=C)C;GDMKALGJMVQZTC-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272764;MM272764;CC(=CC(O)CF)C(=O)O;SNTSRDFZPDAPQW-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272765;MM272765;C=C(F)CC(C=NN)OC;BXQVZSJJSDJOBY-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272766;MM272766;CC=CC(CC)NC(C)=N;ZRWQISRJMSSTDE-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272767;MM272767;CC(=N)NC(C=CF)CN;CQIMWMBMNRLJIT-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272768;MM272768;CC(=N)NC(C=CF)CO;XEOPVPLNKMYCRE-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272769;MM272769;CC=CC(CF)NC(C)=N;YMGOEVMPTPMASY-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_N0";;;;;;;1.17;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272770;MM272770;CC(C=NOC(C)C)CO;XLESFKYICCLYTF-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272771;MM272771;CC=CC(CN)NC(C)=O;KHENZKIGQXAWRL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272772;MM272772;CC(=O)NC(C=CF)CN;UDSIACQFXRSWOC-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272773;MM272773;CC=CC(CF)NC(C)=O;STRYPRVCHGPBKB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272774;MM272774;CC(=O)NC(C=CF)CF;NXQGGZUVOXGKDH-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272775;MM272775;CC=CC(CC)NC(=N)N;TYVGQOCLXHYUJS-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272776;MM272776;CCC(C=NO)NC(C)=O;IQOKUBKGNDEIQR-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272777;MM272777;C=C(C)OC(C=CC)CC;HNJFRWWKHNLZEV-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272778;MM272778;CC=CC(CN)OC(C)=O;OGGGEWPUJZBHPV-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272779;MM272779;CC(=O)OC(C=CF)CN;ZWKWXMBNWLCUEH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272780;MM272780;CC=CC(CC)OC(=N)N;HMOOOANAEBLBIN-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272781;MM272781;CCC(C=CF)OC(=N)N;YMTYALYRURPSOF-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272782;MM272782;CC=CC(CN)OC(=N)N;ZTOUKDCBWFTOLB-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272783;MM272783;CC=CC(CF)OC(=N)N;RHUNIKDMGJJALL-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272784;MM272784;CC=CC(CN)OC(N)=O;YFCJVJSRXKCAIX-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272785;MM272785;NC(=O)OC(C=CF)CF;UPLSSIPVLIILTG-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272786;MM272786;CCC(C=NN)OC(C)=O;PJYFMJOPMWNWCJ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272787;MM272787;CCNC(=O)C=CCC#N;LIVVSIHNUWPLTB-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272788;MM272788;CCC(C=NN)OC(=N)N;CEUUIZIUKJGBAM-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272789;MM272789;N=C(N)OC(C=NN)CO;FQRSHWPOPGMHSH-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272790;MM272790;CC=CC(OC)OC(=N)N;VZLUNZCIMWUQQC-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272791;MM272791;CC(C(=O)O)C(N)=CC=O;WRNNGBDOEBDRLE-UHFFFAOYSA-N;143.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272792;MM272792;COC(C=NN)OC(=N)N;HNPSBLWXBNGFLJ-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272793;MM272793;CN(C(=N)CCO)C(N)=O;QGWOFKYECYWRKW-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272794;MM272794;COC(C=CC(=O)O)CO;CFPBCPFUKCYPEH-UHFFFAOYSA-N;146.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272795;MM272795;C=C(C)CN(C=NC)CC;WLQUEMYQQUTCLG-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272796;MM272796;N#CC=C(N)CC1CC1O;RBTNNHZJCITKJV-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272797;MM272797;C=C(C)CN(C=NO)OC;IXWHRJVLWJYYGB-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272798;MM272798;C=C(C)CC(C=O)C=CC;UEBADYDDXICNAO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272799;MM272799;C=C(C)CC(C=O)C=CF;UWNCHCCCPYUPOL-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272800;MM272800;C=CC(C=CC)CC(=N)N;LGKWJZXXQFBPIQ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272801;MM272801;C=CC(C=CF)CC(=N)N;LHSJEFLANWRWPD-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272802;MM272802;N=C(N)CC(C=O)C=CF;BUJJPYFPVTZIKF-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272803;MM272803;CC(C#N)(CF)N=CNO;KXVUOXOWGQLCRW-UHFFFAOYSA-N;145.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272804;MM272804;C#CC(C)(CC)N=CNO;CZEJEXGREQPGMU-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272805;MM272805;CC=CC(C#N)CC(N)=O;RDPDGNHNOOSWOH-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272806;MM272806;C=CC(C=CC)CC(=O)O;QDLSGPFMGLBNPM-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272807;MM272807;C=CC(C=CF)CC(=O)O;APGGPJWETAUDGE-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272808;MM272808;C=C(F)CC(C=O)C=CC;YWEOWOAOPYYBEP-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272809;MM272809;C=CC(C=NO)CC(C)=O;VAKYSUOCFKLBLL-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272810;MM272810;C=CC(C=NN)CC(=N)N;DFDJTHUIVZRWIR-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272811;MM272811;C=CC(C)(C#N)N=CNO;UHCWCYSEPVDNRX-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272812;MM272812;O=C(O)CC=C(CO)CO;JWAZEITWDMGQOL-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272813;MM272813;C=CC(C=NN)CC(=C)F;IETSLIRWZIPVOZ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272814;MM272814;C=CC(C=CC)NC(C)=N;HPMGWJVQJZVKIR-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272815;MM272815;CC=CC(C=O)N=C(C)N;WLPHQRHLEBRKOC-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272816;MM272816;N#CC(C=CF)NC(=N)N;VNJHGMSRFXBOST-UHFFFAOYSA-N;142.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272817;MM272817;N#CC(C=CF)NC(N)=O;YJBIHYJPOMTHBI-UHFFFAOYSA-N;143.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272818;MM272818;C=CC(C=NN)NC(C)=N;VUJUEMCUNCGWCE-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272819;MM272819;C=CC(C=NO)NC(C)=O;PAVPONQSBQNSHK-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272820;MM272820;C=CC(C=NO)NC(=N)N;LRDRUVXCSZINPF-UHFFFAOYSA-N;142.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272821;MM272821;CC(=O)OC(C=O)C=CF;ZUGFZZSSCNBHAU-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272822;MM272822;C=CC(C=CC)OC(=N)N;HGDBSSXUNWZNAJ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272823;MM272823;CC=CC(C=O)OC(=N)N;GSNYZYAUBHKGKL-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272824;MM272824;O=C(O)CC1CC1O;DABNGJMDOVAEKM-UHFFFAOYSA-N;116.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272825;MM272825;C=C(C)CN(C=N)C=CF;NQOFSSVXMBUYHN-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272826;MM272826;C=C(C)CN(C=O)C=NC;MIXAOFJUSCRSIP-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272827;MM272827;CC(C=O)(C=O)N=CNO;NGTMYUKNBPGIDA-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272828;MM272828;C=C(C)CN(C=O)C=NO;WTZHHPZJMKJCRC-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272829;MM272829;N=CN(C=NN)CC(=N)N;YUIFDAZRDKWMJX-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272830;MM272830;N=CN(C=NO)CC(=N)N;AECUZYJCEPRYNP-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272831;MM272831;C#CC(C)(C=O)N=CNO;IKGHKXSUTBVIAG-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272832;MM272832;CC(C=NN(C)C=O)CO;VLVRCLYYXXRZJB-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272833;MM272833;C=C(F)CN(C=O)C=NO;SXJORQHQRSTDBY-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272834;MM272834;C=NN(C=NC)CC(=C)C;ALOXFUPBJSBKKI-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272835;MM272835;C=CC(CO)CN(N)C=O;GQAMFPMXFQINQI-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272836;MM272836;C=CC(CO)CN(C)N=C;IAYCFRCRXINQGE-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272837;MM272837;C=NN(C=NO)CC(C)=O;GMHYTBLKQDRJKE-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272838;MM272838;C=C(C)CN(C=O)N=CC;OCPLFRVALDWUHC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272839;MM272839;CC=NN(C=N)CC(=N)N;QTCQVPATUUZVPE-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272840;MM272840;CC(C#CC#N)N=CNO;APTZBQMFWIBXLZ-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272841;MM272841;O=C(O)CC(=CCO)CO;LMHMYDCRNGPZSO-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272842;MM272842;C=C(F)CN(C=N)N=CC;WTYFKHQGQHRDAX-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272843;MM272843;C=C(F)CN(C=O)N=CC;CIQSCDBAHXLPTF-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272844;MM272844;C=CN(C=NN)NC(C)=N;XDLRHTFBHTWXRU-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272845;MM272845;CC(=O)ON(C=O)C=CF;YLMPRUPXONOLFR-UHFFFAOYSA-N;147.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272846;MM272846;NC(=O)ON(C=O)C=CF;VPZDQLQCJKCWDG-UHFFFAOYSA-N;148.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272847;MM272847;C=CC(=C)C(=O)NCC=O;DCFWZWNENQOYAR-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272848;MM272848;CN=CN(C=O)OC(C)=O;KELIQDPLMUEXGE-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272849;MM272849;CC(=O)ON(C=O)C=NN;VPYDWDMCJAXWDX-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272850;MM272850;CC(=O)ON(C=O)C=NO;UQBWLHDPXLJVFG-UHFFFAOYSA-N;146.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272851;MM272851;CCCON=CC(C)CO;PJYFGNXATSDREW-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272852;MM272852;CN=CN(C=O)OC(N)=O;KVNPUKQKDBKAHI-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272853;MM272853;NN=CN(C=O)OC(N)=O;KXNOAVZHJULLAN-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272854;MM272854;C#CC(C=CC)CC(=C)C;CJTAIXZVLQMTQX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272855;MM272855;C#CC(C=CC)CC(=N)N;CNDGMIAMSVYFPN-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272856;MM272856;C#CC(C=CF)CC(N)=O;ZQMZKZVFNUJPIK-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272857;MM272857;C#CC(C=CC)CC(=O)O;HOLLPLUPFUFSEC-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272858;MM272858;C#CC(C=CF)CC(=O)O;BAVPQKWGLBMMCE-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272859;MM272859;C#CC(C=CC)NC(C)=N;OYHZQAJGRZNYGX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272860;MM272860;C#CC(C=CF)NC(C)=O;CVLGKXWAUQDNAG-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272861;MM272861;C#CC(C=CC)NC(=N)N;OUAOIVRRZASBRM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272862;MM272862;C#CC(C=CC)OC(C)=O;WMJTVRRLWZPLEJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272863;MM272863;C#CC(C=CF)OC(N)=O;GTXGLWPXVCCWOB-UHFFFAOYSA-N;143.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272864;MM272864;C#CC(C=NN)OC(=N)N;AQLVPSDBYMTXKO-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272865;MM272865;CC#CC(CC)CC(C)C;MGEQSWWCJFOTDI-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272866;MM272866;CC#CC(CN)CC(C)C;PTRKJAFGFQXPEZ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272867;MM272867;CC#CC(CC)CC(C)N;IQSRXQIZOQYZTF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272868;MM272868;CC#CC(CO)CC(C)O;COGXTUWBKMIVHV-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272869;MM272869;CC#CC(CC)CC(C)F;JRBOSESMECCONP-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272870;MM272870;CC#CC(CN)CC(C)F;OUBDINVMVMXMGO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272871;MM272871;CC#CC(CF)CC(C)F;FMLGZFZFHKUASK-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272872;MM272872;CC#CC(CN)CC(F)F;ZBCMGMCEFPOZNW-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272873;MM272873;CC#CC(CC)NC(C)C;QDXQWSNRAVYYLS-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272874;MM272874;CC#CC(CC)CN(C)C;RTECFLVUIWNANB-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272875;MM272875;CC#CC(CN(C)C)NC;YERYNYBCKQAPJC-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272876;MM272876;CC#CC(C#N)CC(C)C;CZUCLUYWUATEBK-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272877;MM272877;CC#CC(C#N)CC(C)O;ZTOZYUHPDNTLRE-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272878;MM272878;C=CC(C#CC)CC(C)F;CVBDIFXVSUCJJV-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272879;MM272879;CC#CC(C#N)CC(C)F;KSHSIZMJHFACGX-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272880;MM272880;C=CC(C#CC)CC(F)F;BNPIEPMVIKISAG-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272881;MM272881;CC#CC(C=O)CC(F)F;OLMLFTHZSFNTIB-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272882;MM272882;CC#CC(C#N)CC(F)F;GUDIXGQNCDBRHF-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272883;MM272883;C=CC(C#CC)CN(C)C;OSDVZZKEYBFPGD-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272884;MM272884;C#CC(C#CC)CC(C)C;FVIKZHOPTDPMTL-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272885;MM272885;C#CC(C#CC)CC(C)N;HCEFLMDIUGWCOG-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272886;MM272886;C#CC(C#CC)CN(C)C;RFRAFAKEBOOHSV-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272887;MM272887;C=C(C)CC(C#CC)CC;HWEBOSUIZRPCON-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272888;MM272888;C=C(C)CC(C#CC)CN;DQPBZXCACFCXMD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272889;MM272889;CC#CC(CC)CC(C)=O;NHROJJIYFAQEIT-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272890;MM272890;CC#CC(CN)CC(=N)N;GZAIHEVFISXHFW-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272891;MM272891;C=CCON=CC(C)CO;FYVXLTQOZSMGLR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272892;MM272892;CC#CC(CN)CC(N)=O;SGOKGPCELQTPQF-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272893;MM272893;CC#CC(CF)CC(N)=O;NEAJFENNTAKOND-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272894;MM272894;CC#CC(CF)CC(=O)O;YOGAJCDPAQENMP-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272895;MM272895;C=C(C)CC(C#CC)NC;MTQKPZSEPFNPFX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272896;MM272896;CC#CC(CC(N)=O)NC;SQTHFINCURJOGI-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272897;MM272897;CC#CC(CC(C)=O)OC;UERYXLGHPMRHGX-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272898;MM272898;O=Cc1nc(F)c(F)[nH]1;NAXGVXMRRLEAOD-UHFFFAOYSA-N;132.07;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272899;MM272899;CC#CC(CC)NC(C)=N;QIYJEKKRVFMGHB-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272900;MM272900;CC#CC(CO)NC(=N)N;IGHCFUOZYSIUDO-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272901;MM272901;C=C(C)OC(C#CC)CC;WCFHXUWZSRAPBW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272902;MM272902;CC#CC(CC)OC(C)=O;OBKZZMKQKGTXFT-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272903;MM272903;CC#CC(CC)OC(=N)N;OJCZRBHDQCKWOB-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272904;MM272904;CC#CC(CO)OC(=N)N;RQRMVRBNSAPCCB-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272905;MM272905;CC#CC(CF)OC(=N)N;UQSMRWXTBJHLFS-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272906;MM272906;C=C(C)OC(C#CC)OC;JYYUMRMCBNXECT-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272907;MM272907;CC#CC(OC)OC(C)=O;JXWATNPPNCSWGJ-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272908;MM272908;C=CC(C#CC)CC(=C)C;XQIKCVNVOMOBFJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272909;MM272909;C=C(C)CC(C#N)C#CC;NCMQOBJSURXIQG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272910;MM272910;C=CC(C#CC)CC(=N)N;CZKSFFBOZZGBSD-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272911;MM272911;CC#CC(C#N)CC(=N)N;NQBUZVALTMXISZ-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272912;MM272912;C=CC(C#CC)CC(N)=O;ISWDLIOOFHGRRR-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272913;MM272913;CC#CC(C#N)CC(N)=O;ZTPHYPSODQLRFQ-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272914;MM272914;C=CC(C#CC)CC(=O)O;KGXBVUACHDYPOO-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272915;MM272915;CC#CC(C#N)CC(=O)O;YRDUAABXVJUDOA-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272916;MM272916;C=CC(C#CC)NC(C)=N;KGWKSLHZTLFMGM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272917;MM272917;C=CC(C#CC)NC(=N)N;IZVQYJUIMFKTRK-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272918;MM272918;C=CC(C#CC)OC(=N)N;CGHIYERTZXSUGR-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272919;MM272919;CC#CC(C#N)OC(N)=O;HSUNXMSEUUWHIU-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272920;MM272920;C#CC(C#CC)OC(C)=O;RCSKUNJNWSRZCJ-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272921;MM272921;C#CC(C#CC)OC(=N)N;KJYGDKSLWOLEFQ-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272922;MM272922;CC=C(CCC)CC(C)C;CQTLUPXWBTVHPQ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272923;MM272923;CC(C)CC(=CF)CCN;UIMWJZWZODUQDB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272924;MM272924;CC=C(CCN)CC(C)N;PXERXLWBSPHXOK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272925;MM272925;CC=C(CCO)CC(C)N;SWDJLQGJSDNUDX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272926;MM272926;CCCC(=CF)CC(C)N;ZHDAVNUXHMVEAY-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272927;MM272927;CC(N)CC(=CF)CCN;CTZCJNQBIBCMRG-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272928;MM272928;CC(N)CC(=CF)CCF;DQYXKJUSLWAFPK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272929;MM272929;C#CCON=CC(C)CO;HLFPUKIHBJNSKA-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272930;MM272930;CC(C=NN=CNN)CO;PMKVWONQBRNRAC-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272931;MM272931;CC(O)CC(=CF)CCF;IWZWWJCJWFAXDQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272932;MM272932;CC=C(CCN)CC(C)F;BHTIAYOJCGMITO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272933;MM272933;CC(F)CC(=CF)CCF;MZGVQHVUPDJCNY-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272934;MM272934;CC=C(CCC)CC(F)F;RLFNCTINJUGMOS-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272935;MM272935;CC=C(CCF)CC(F)F;HYHFWWWZIKJPDA-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272936;MM272936;NCCC(=CF)CC(F)F;XTMCUKCMFCNXDQ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272937;MM272937;FC=C(CCF)CC(F)F;CZZXETXYFSOQQH-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272938;MM272938;CC=C(CNC)CC(C)C;BWKRCPLYSJVEKE-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272939;MM272939;CNCC(=CF)CC(C)C;ICKORKKNFXNKOY-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272940;MM272940;CNCC(=CF)CC(C)O;ONJURILRXBZCDP-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272941;MM272941;CC=C(CNC)CC(C)F;ZFOWFEHBUJDBEO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272942;MM272942;CNCC(=CF)CC(C)F;QMMMRQUVWADAMO-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272943;MM272943;CC=C(CNC)CC(F)F;OHTMDTUUOGQYMC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272944;MM272944;CCCC(CC(C)C)=NN;SEKHMDPDRBLXCT-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272945;MM272945;CC(C)CC(CCF)=NO;LFZJNHXVOWEKDY-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272946;MM272946;CCCC(CC(C)N)=NO;CBZJYVHEGKQVKF-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272947;MM272947;CC(N)CC(CCO)=NO;GOYSKCSRHFDJGN-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272948;MM272948;CC(C=NOC=NN)CO;KUNJZCGTJPZWLC-UHFFFAOYSA-N;145.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272949;MM272949;C=NNCC(CO)CC=O;HDZAQDWDGHOBOX-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272950;MM272950;CCCC(CC(C)F)=NN;BECALAHJLMOVLF-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272951;MM272951;CC(F)CC(CCF)=NN;CWDPPVARWVEWLN-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272952;MM272952;CCCC(CC(C)F)=NO;HEOQKHNVBNFWDC-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272953;MM272953;CC(F)CC(CCF)=NO;XGCBDHGMHMSOQA-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272954;MM272954;Nc1c(O)noc1O;AZEPPIVVEOHFOL-UHFFFAOYSA-N;116.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272955;MM272955;CCN=C(CC(C)O)NO;IUZSZIKAFJZIBL-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272956;MM272956;COCC(CO)CC=NN;KYKGVBHBMIGBNP-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272957;MM272957;NN=CC(CF)N=CNO;IESXHPJHWUKUID-UHFFFAOYSA-N;148.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272958;MM272958;CON=C(CC(C)C)NN;NXVCHCNPSUZGPM-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272959;MM272959;CC#CC(CC)N=CNO;ADUXWTFQFAYHQC-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272960;MM272960;C=CC(C#CC)N=CNO;ZVVRVGHPLJIRHV-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272961;MM272961;C#CC(C#CC)N=CNO;BYDXCWITVRBFEO-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272962;MM272962;C=C(OC)N(NC)C(N)=O;MKOMKLKZVPBHDM-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272963;MM272963;C#CC(N=CNO)C(=C)C;DOGGCRWZFDNGST-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272964;MM272964;CN=C(CCN)NC(C)C;QHEIHNGIVGKJGF-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272965;MM272965;CNC(COC)=NC(C)C;NTYRMCFPSDVLJL-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272966;MM272966;COCC(=NO)NC(C)C;DGHQOMSAPUCHFP-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272967;MM272967;C=CC(CO)CNCC#N;IQYOTPKWBAHIIH-UHFFFAOYSA-N;140.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272968;MM272968;CCOC(=NO)NC(C)C;QFLTZNAOKIJTNY-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272969;MM272969;CNCC(=CF)OC(C)C;ISWNRENSCYZMLG-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272970;MM272970;CC=NOCC(CC)CO;AMSJPGQDEGHASW-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272971;MM272971;CCOC(=NO)OC(C)C;PADWUXIJPVKMHG-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272972;MM272972;CC=C(CCF)CN(C)C;UIKOZGHCEXMFMM-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272973;MM272973;CN(C)CC(=CF)CCF;USSAOXJEBNRBPV-UHFFFAOYSA-N;149.18;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272974;MM272974;CCN=C(CN(C)C)NN;CIODKNWREDROTC-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272975;MM272975;CCC(CC1CC1O)=NN;WKRPCRZMAPXKRM-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272976;MM272976;COC(CC1CC1O)=NN;OHHKZFMWZBCTQA-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272977;MM272977;CN=C(CCF)NN(C)C;WMWPCTQGRQYTOW-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272978;MM272978;C=CC(CC1CC1O)=NN;WXIIZRVZFLTWEU-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272979;MM272979;CNNC(=NN)NN(C)C;FPHZXURNXMNOOT-UHFFFAOYSA-N;146.2;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272980;MM272980;CC=C(CC=O)CC(C)C;GVCRIQIWFLXZHJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272981;MM272981;CC(C)CC(=CF)CC=O;HWSPMIQYRVDIFJ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272982;MM272982;C=CCC(=CF)CC(C)N;AHFJSWVHRJNPHB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272983;MM272983;C#CC(CC1CC1O)=NN;MJRFTXOZRVOUMZ-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272984;MM272984;C=CCC(=CF)CC(C)O;QSGUQFTUCGNBDB-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272985;MM272985;CC=C(CC=O)CC(C)F;AGHOGRHIIUEWTA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272986;MM272986;CC=C(CC#N)CC(C)F;FXYKBGPABMCDHN-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272987;MM272987;C=CCC(=CF)CC(C)F;LOEKDDOCPKTNIZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272988;MM272988;CC(F)CC(=CF)CC=O;QCMUHQXKZKTDRA-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272989;MM272989;CC=C(CC=O)CC(F)F;OHTZXVMFDTZYQL-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272990;MM272990;C=CCC(=CF)CC(F)F;IUYFSJGRNJQPJW-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272991;MM272991;O=CCC(=CF)CC(F)F;AISGXVJFURIJKT-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272992;MM272992;C=CCC(CC(C)C)=NO;ZACIESNZIQWJRN-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272993;MM272993;CN(C=O)N1CC(CO)C1;TVODURNIPUMGOZ-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272994;MM272994;C=CCC(CC(C)O)=NO;YBJRLPZVLRUMKZ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272995;MM272995;Cc1c(O)noc1O;KSBUWZCIXMTFAC-UHFFFAOYSA-N;115.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272996;MM272996;CC=Cc1cc(NC)n[nH]1;JDUASMQFMWBFHH-UHFFFAOYSA-N;137.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272997;MM272997;CN=C(CC(F)F)NC=N;OAHGXSULYGSIJM-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272998;MM272998;Cc1cc(C)[nH]n1;SDXAWLJRERMRKF-UHFFFAOYSA-N;96.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM272999;MM272999;C=NNC(CC(F)F)=NO;FXJMJZXDSLYFGY-UHFFFAOYSA-N;151.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273000;MM273000;C=CC(=O)NCCO;UUORTJUPDJJXST-UHFFFAOYSA-N;115.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273001;MM273001;C=CCC(=NC)NC(C)C;MUNBWCQYVJMBOQ-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273002;MM273002;CC(F)CN(N)C(N)=O;WDMOHVKYBQKZAN-UHFFFAOYSA-N;135.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273003;MM273003;CC(CF)N(N)C(N)=O;WNVCSOGFMLDCBL-UHFFFAOYSA-N;135.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273004;MM273004;C=NOC(=NO)NC(C)C;PBHDHGQBACYXGK-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273005;MM273005;C=CCC(=CC)OC(C)C;JNPPWQMDPLDKBA-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273006;MM273006;C=CNC(=NO)OC(C)C;GBOBFEIXUVPIGF-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273007;MM273007;C=NOC(=NO)OC(C)C;WAIMEQJEHIPLMW-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273008;MM273008;C=CCC(=CF)CN(C)C;JHVNBECBGICXBY-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273009;MM273009;CC=NOCC(C)CO;CPLRBCLSLYVVQE-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273010;MM273010;CNN(CCF)C(N)=O;XZIIWBIRNWUHCZ-UHFFFAOYSA-N;135.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273011;MM273011;C=NNCCC1CC1O;DMLSCPLRQGFXIA-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273012;MM273012;CN(C)NC(=NN)NC=N;ZQDCFNXVJYTHGO-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273013;MM273013;CN(C)NC(=NO)NC=N;JBMRXKCBCYZHAI-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273014;MM273014;CC(O)CC(=O)ON=CN;GWWHTJXEROUGCG-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273015;MM273015;CC=NOC(=O)CC(C)O;DRYXVPSEPKTZKU-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273016;MM273016;C=NOC(=NO)NN(C)C;JEPZUSIVXUBQOM-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273017;MM273017;C#CCC(=CC)CC(C)C;JCEUENNAGQTVAW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273018;MM273018;C#CCC(=CF)CC(C)N;SXFZVVAGZRGDBR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273019;MM273019;NN=CC=C(F)CC(N)=O;OLMFHKMPNOKBQO-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273020;MM273020;C#CCC(=CF)CC(C)O;JHBXDNOKHWDIHY-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273021;MM273021;C#CCC(=CC)CC(C)F;CBORXUFCLJMXOA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273022;MM273022;C#CCC(=CC)CC(F)F;ZNJCKABZHLHMGU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273023;MM273023;C#CCC(=CC)CN(C)C;DIZJSDCZLNWBRN-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273024;MM273024;C#CCC(=CF)CN(C)C;BZFLCPROLGMEHD-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273025;MM273025;C#CCC(=NC)NN(C)C;DHWYECJVMVCZBX-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273026;MM273026;C=C(C)CC(=CC)CCC;ODGFCMOWYSIOKQ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273027;MM273027;C=C(C)CC(=CF)CCN;LGIMJWWGZLFGQF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273028;MM273028;C=C(C)CC(=CF)CCF;ALOOYTDBTRHPCN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273029;MM273029;CC(=O)CC(=CF)CCF;ALRZSGJWRXBCPF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273030;MM273030;CC=C(CCN)CC(=N)N;TWMWDMGQFFTNBI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273031;MM273031;CC=C(CCF)CC(=N)N;JGVRLIGJAXLOAV-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273032;MM273032;CCCC(=CF)CC(=N)N;RBUHCAOXOFLJOT-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273033;MM273033;C=NNC=NOCC(N)=O;DWMWRGVWZJTGCS-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273034;MM273034;CC=C(CCN)CC(N)=O;HPWATSNQCHDNTB-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273035;MM273035;CC=C(CCF)CC(N)=O;JMFRMZZOERDKHC-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273036;MM273036;CCCC(=CF)CC(N)=O;IWCYJQGKXFWWGU-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273037;MM273037;NCCC(=CF)CC(N)=O;JQYSXPROVCXAKM-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273038;MM273038;NC(=O)CC(=CF)CCF;SACNIWASERRSIN-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273039;MM273039;CC=C(CCF)CC(=O)O;CXQZAAGEJPMQQA-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273040;MM273040;Cc1cnoc1O;MGDDCOQTUFIGCN-UHFFFAOYSA-N;99.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273041;MM273041;O=C(O)CC(=CF)CCF;MIUFKPIYMWLCSI-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273042;MM273042;C=C(F)CC(=CC)CCN;CCEMMXHGLJJEMX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273043;MM273043;C=C(F)CC(=CF)CCN;MJTZQQZISCFEIB-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273044;MM273044;C=C(C)CC(=CC)CNC;VEJQTMPOWDOIET-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273045;MM273045;C=C(F)CC(=CC)CNC;SJYRTRSJJIILEJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273046;MM273046;C=C(C)CC(CCF)=NN;MRKJUOJNSPBPHL-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273047;MM273047;C=C(C)CC(CCN)=NO;PHLHWUAMKWKXRK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273048;MM273048;C=C(C)CC(CCF)=NO;DISQZBLRMKEEMX-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273049;MM273049;CNN=C(CC=O)C(N)=O;GOTVZTJXTQBDDQ-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273050;MM273050;CCCC(CC(N)=O)=NO;JBIZHLLFXZJAAJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273051;MM273051;COCC(CC(=N)N)=NN;ZDHDNLZFQSBKFV-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273052;MM273052;CNc1noc(C)c1O;DAMISOYOTGVQHX-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273053;MM273053;Nn1nc(F)c(O)c1O;QTIGVJCLDOFCSS-UHFFFAOYSA-N;133.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273054;MM273054;CCN=C(CC(C)=O)NC;QELZKJBIZZQSGR-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273055;MM273055;CNN=C(CC(=N)N)NN;ZXRJKHQHQNQWLJ-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273056;MM273056;N=c1nc(O)n(N)nc1O;IUSONMPDOBIBEW-UHFFFAOYSA-N;143.11;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273057;MM273057;CNC(CC(=N)N)=NOC;RPHOIGMJHSKRAA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273058;MM273058;CON=C(CC(=N)N)NN;FCTZAWCYEBIEKA-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273059;MM273059;CON=C(C=CN)C(N)=O;XOFIMTFSVPMCMZ-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273060;MM273060;C=NNC(C)CC1CC1O;XDEDNLHGLKWSBO-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273061;MM273061;C=NOC(C)CC1CC1O;WNHAWKAHZWYGHD-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273062;MM273062;CN=c1c(F)c(O)on1O;FMOWDWFQKHGELZ-UHFFFAOYSA-N;148.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273063;MM273063;NN=c1[nH]c(F)c(N)o1;ZAPBIPDYGGHXON-UHFFFAOYSA-N;132.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273064;MM273064;CNC(=O)C1NC1(C)C=O;OSVFTSSJHHGJDF-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273065;MM273065;N#CC1(NCC(N)=O)CC1;HRTDBRAKMRDQLC-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273066;MM273066;CCOC(=CF)CC(=N)N;XOZGANPEGQBFCK-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273067;MM273067;CCOC(=CF)CC(N)=O;TUBGYFLVZSNKEJ-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273068;MM273068;CCOC(CC(=N)N)=NN;OSLVVZOWSUFGKF-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273069;MM273069;CC=C(CCN)NC(C)=N;VGOFLXFEZZHZAZ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273070;MM273070;CC=C(CCF)NC(C)=N;VFYPGZGMRSFIST-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273071;MM273071;CC=C(CCO)NC(C)=O;BLEIVZHWRIHHNK-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273072;MM273072;CC=C(CCF)NC(C)=O;DQWMIKKVWRUAEU-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273073;MM273073;CCCC(=CF)NC(C)=O;XSOOGIAUTBPUKR-UHFFFAOYSA-N;145.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273074;MM273074;CC(=O)NC(=CF)CCF;NEYTVKNXZRNPMK-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273075;MM273075;CC=C(CCC)NC(=N)N;DNUMCUDXASOMTP-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273076;MM273076;CC=C(CCF)NC(=N)N;VBGYDICREQQRCO-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273077;MM273077;CCCC(=CF)NC(=N)N;GDBHJLKYDDWZTO-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273078;MM273078;N=C(N)NC(=CF)CCO;YQDXEPRACXXNRC-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273079;MM273079;CC=C(CCN)NC(N)=O;FZVAXXBERUCZQQ-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273080;MM273080;CNCC(=CF)NC(C)=N;XRGVADXGTUZLCF-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273081;MM273081;CC=C(CNC)NC(C)=O;UIVZPSSYIQHLAO-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273082;MM273082;CC=C(CNC)NC(N)=O;VAEWEKWFOJUOEG-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273083;MM273083;C=C(C)NC(CCF)=NC;HUEHHNFECIDAKW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273084;MM273084;C=C(C)N=C(CCF)NN;ILOQLPHITSCADJ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273085;MM273085;CCCC(=NN)NC(C)=N;HAYBGWLIXJBFGN-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273086;MM273086;CC(=N)NC(CCF)=NN;LWGVVQGVMCGTBU-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273087;MM273087;CC(=O)NC(CCF)=NO;ULQOPIXJPYRYCE-UHFFFAOYSA-N;148.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273088;MM273088;CN=C(CCF)NC(=N)N;ZALJHMJOXGNKCB-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273089;MM273089;N=C(N)NC(CCO)=NO;SMIKYRJKNDRQSN-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273090;MM273090;CCCC(=NN)NC(N)=O;ZLVRRVPZBMJQLI-UHFFFAOYSA-N;144.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273091;MM273091;NC(=O)NC(CCO)=NO;FPXBHSWQQDXJJF-UHFFFAOYSA-N;147.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273092;MM273092;C=C(C)NC(COC)=NO;YSAIGJSROZXUAL-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273093;MM273093;COCC(=NN)NC(C)=N;IUXWRLNJPOGLSA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273094;MM273094;COCC(=NN)NC(C)=O;BDWUKTJGEHXZAO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273095;MM273095;COCC(=NO)NC(C)=O;JUAOIZZLOOPNPW-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273096;MM273096;COCC(=NN)NC(=N)N;GUJXYECXLYIIDA-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273097;MM273097;CN=C(COC)NC(N)=O;VHJPMTZEIBDNET-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273098;MM273098;C=C(C)NC(=NN)NCC;RZXTXBTWTLHNIY-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273099;MM273099;CCNC(=NN)NC(C)=N;XIYCTRRFTLILSS-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273100;MM273100;CCNC(=NO)NC(C)=N;OFHHATIDISXJEO-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273101;MM273101;CCC=NOCC(C)CO;BLWUNVJHLKFKQZ-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273102;MM273102;CCNC(=NC)NC(N)=O;ROIFBUUXGQXEPJ-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273103;MM273103;CNNC(=NN)NC(C)=N;OQYWZEYSSCCQKF-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273104;MM273104;CNNC(=NO)NC(C)=N;XRBPKXMFXFBPMS-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273105;MM273105;C=CC=NOCC(C)CO;NVTLSNKUISUTKM-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273106;MM273106;CN=C(NNC)NC(N)=O;TUYGZDOCXVSUTQ-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273107;MM273107;C#CC=NOCC(C)CO;JHVUIKKBXOKXDN-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273108;MM273108;CONC(=NN)NC(C)=N;AETZEFLYJPRHPJ-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273109;MM273109;CONC(=NO)NC(C)=N;QKXDKHZFFLZFCQ-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273110;MM273110;C=C(C#CC=NNC)CO;UGIJZOOZWJDWPB-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273111;MM273111;CONC(=NO)NC(C)=O;KRTFFPRJHGNSRG-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273112;MM273112;CONC(=NN)NC(=N)N;MIKDAYJADJQLGX-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273113;MM273113;CC=C(NC(=N)N)OCC;DIOCGWGUXZHLEV-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273114;MM273114;CC=C(NC(N)=O)OCC;WKMWWSCRRRWRHX-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273115;MM273115;CCOC(=CF)NC(N)=O;XKYIOCFNJPKGRR-UHFFFAOYSA-N;148.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273116;MM273116;CCNC(C#N)C(C)CO;XAIIPTFUJAQSEY-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273117;MM273117;C=C(C)NC(=NO)OCC;PZNYGOYOUKYVBK-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273118;MM273118;CCOC(=NN)NC(C)=O;RNHSSVODJKIQGR-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273119;MM273119;CCOC(=NO)NC(C)=O;MGJMOJKOKMCVGW-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273120;MM273120;CCOC(=NO)NC(=N)N;HDRJBSHJLVCMGN-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273121;MM273121;CCOC(=NO)NC(N)=O;XHLXGIZVBWLGBO-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273122;MM273122;C=C(C)OC(=CF)CCN;REMASZAAGYPPRI-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273123;MM273123;CC=C(CCN)OC(C)=O;ZTNKDTCTDNRZFT-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273124;MM273124;CC=C(CCF)OC(C)=O;PIVDONPVBOAHKN-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273125;MM273125;C=C(C)OC(=CF)CNC;AJCLHJLYDAGYEO-UHFFFAOYSA-N;145.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273126;MM273126;CC=C(CNC)OC(C)=O;DVFOZNGTAPUMSF-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273127;MM273127;COCC(=CF)OC(C)=O;OGLNBJHRIMJNPG-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273128;MM273128;CNN(C(N)=O)C(C)=NN;UNFXPVXYTMYHEJ-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273129;MM273129;C=C(C)OC(CCO)=NO;KQZMWRZCLYZIJZ-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273130;MM273130;CC=C(CF)C(=O)NCC;VJKWONJSXQMIPR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273131;MM273131;CNC(C#N)CC1CC1O;IVQIEXGMPOWDBV-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273132;MM273132;CCNC(=NO)OC(C)=O;HLWKIDJUXXOVPV-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273133;MM273133;C=Cc1cc(NCC)n[nH]1;ABTHKSFTLAGWQQ-UHFFFAOYSA-N;137.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273134;MM273134;OC1CC1CC1(CF)CN1;VBACVROCUWAJSV-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273135;MM273135;O=CC1(CC2CC2O)CN1;AEMBQPXVBGGIJR-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273136;MM273136;N#CC1(CC2CC2O)CN1;HJQWYSYZLQNZIR-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273137;MM273137;C#CC1(CC2CC2O)CN1;MBUXUOSNOCMZBQ-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273138;MM273138;CONC(=NO)OC(C)=O;RRFLCFHMUSMOON-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273139;MM273139;C#CCON=CCNC=O;DDOXIVUCENKTJB-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273140;MM273140;C=C(C)CC(=CC)CC=O;LIUZPUYAWBOVLZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273141;MM273141;C=C(C)CC(=CF)CC=O;GSCOZWKVSYOPLD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273142;MM273142;C=CCC(=CF)CC(C)=O;TUELPEMEKSFVGR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273143;MM273143;C=CCC(=CC)CC(=N)N;SAFINNUMOVYMGM-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273144;MM273144;CC=C(CC=O)CC(=N)N;JCCFIMLBHRQCRB-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273145;MM273145;N=C(N)CC(=CF)CC=O;KBWYKCCFHGGESO-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273146;MM273146;CON=C(C)C(N)=O;KWWDGIBRIAEDSS-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273147;MM273147;CC=C(CC=O)CC(N)=O;WTLSFKAINJHZNQ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273148;MM273148;CC=C(CC#N)CC(N)=O;RBYDAGDHJCAEIQ-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273149;MM273149;C=CCC(=CC)CC(=O)O;QNXOEEWSPNDPDQ-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273150;MM273150;CON=CC=C(C)C(=O)O;ZQVNKBXYJFFRTG-UHFFFAOYSA-N;143.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273151;MM273151;C=CCC(=CF)CC(=O)O;YFZCPYFXCLHKNB-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273152;MM273152;C=C(F)CC(=CC)CC=O;QVJJMPVWKJDJQH-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273153;MM273153;C=CCC(CC(=C)C)=NO;GLUDLPDIRGPWGD-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273154;MM273154;C=CCC(CC(N)=O)=NO;WHTPPLRYCOLTLI-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273155;MM273155;CC=C(CC(C)=O)N=CN;UTLVACDDGVGBKX-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273156;MM273156;CC=C(CC(C)=O)NC=O;SXVGLZQAXYMGEF-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273157;MM273157;CC(=O)CC(=CF)N=CN;DMGHBTWASVPRTA-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273158;MM273158;CC(=O)CC(=CF)NC=O;GYWARQVWCBHQOU-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273159;MM273159;C#Cc1[nH]nc(NN)c1O;FHKDVRWDWCYRAN-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273160;MM273160;C=C(C)CC(=NN)NC=N;MZBDOFPDCNQHLS-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273161;MM273161;C=C(C)CC(=NN)NC=O;HOOHJDVBTUMZIF-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273162;MM273162;C=C(C)CC(=NO)NC=O;XTQDCLNSUCPESQ-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273163;MM273163;CC(=O)CC(=NO)NC=O;GLZAHQRZVHABSS-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273164;MM273164;C=CN=C(CC(=N)N)NN;ZMNMURVSNBLNKB-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273165;MM273165;N=CNC(CC(=N)N)=NN;LKUNVGNFMNBHDW-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273166;MM273166;C=CNC(CC(=N)N)=NO;MTBDAUBCQXRVSQ-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273167;MM273167;CN=c1onc(O)n1N;CHDXVQXBURJYNQ-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273168;MM273168;CC(=CCC=O)C(=O)O;IHPWRHWCCGCQCF-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273169;MM273169;C#Cc1oc(=O)n(O)c1O;XEPSWZFJFPRRES-UHFFFAOYSA-N;141.08;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273170;MM273170;C=C(F)CC(=NN)NC=N;IZKCDCODJRLZBR-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273171;MM273171;C=C(F)CC(=NN)NC=O;NCDZAEOEZVJDEV-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273172;MM273172;C=CNC(CC(=C)F)=NO;QNYBGPQQTPXHOB-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273173;MM273173;N#CC=CNCC(N)=O;RDOQQHQSCYBFKM-UHFFFAOYSA-N;125.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273174;MM273174;COC(=O)C(F)C(=N)N;DLCKFZSMJXLGNI-UHFFFAOYSA-N;134.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273175;MM273175;C=NNC(CC(N)=O)=NO;YXGDMXUJYNYEBO-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273176;MM273176;C=C(CCC=O)C(=O)O;NSMTVDIDRFOALU-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273177;MM273177;C=COC(=CF)CC(C)=O;WMQTVIRYXFGHNV-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273178;MM273178;N=C(N)CC(=CF)OC=O;XJCQVYLBYGAEDU-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273179;MM273179;C=COC(=CF)CC(N)=O;OUCXIFFBEKZFDM-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273180;MM273180;NC(=O)CC(=CF)OC=O;VUEXSQZBNGMNBM-UHFFFAOYSA-N;147.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273181;MM273181;C=COC(CC(=N)N)=NN;FJPBWIZEXFCUOI-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273182;MM273182;CC(F)C(=O)N(N)C=N;OUUKQXXDRAEQNK-UHFFFAOYSA-N;133.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273183;MM273183;C=NOC(CC(=N)N)=NN;YPWHSHDMVMKRCM-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273184;MM273184;C=C(C=O)C(C)C(=O)O;LAUPYQSYZWDDHN-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273185;MM273185;C=CCC(=CC)NC(C)=N;GLTGGFUDVLTRON-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273186;MM273186;CC=C(CC=O)N=C(C)N;HXVXWTNTXOTTMJ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273187;MM273187;CC=C(CC#N)NC(C)=N;UCTDAQMNGVXVPO-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273188;MM273188;C=CCC(=CF)NC(C)=N;TWFQZBYOYUSVBP-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273189;MM273189;CC(=N)NC(=CF)CC#N;NOPAFGCNSLCMQN-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273190;MM273190;C=CCC(=CC)NC(C)=O;ZATFIDJNAOOPJZ-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273191;MM273191;CC=C(CC=O)NC(C)=O;KKNYELJHHJZCAS-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273192;MM273192;C=CCC(=CF)NC(C)=O;KPRWDQVDZDBECI-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273193;MM273193;C=CCC(=CC)NC(=N)N;KMYWWBCHVRPZLC-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273194;MM273194;CC=C(CC=O)NC(=N)N;CGVTYXIZPRRVED-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273195;MM273195;C=CCC(=CF)NC(=N)N;YJMANJJNPXKILX-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273196;MM273196;C=CCC(=CC)NC(N)=O;NCFDJMLMUCOSCZ-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273197;MM273197;C=CCC(=CF)NC(N)=O;TWLIEYJYKYKBCM-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273198;MM273198;NC(=O)NC(=CF)CC=O;AQVCJVLTAXFPPJ-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273199;MM273199;N#CCC(=CF)NC(N)=O;ONERQGMUVWCAJR-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273200;MM273200;C=CCC(=NC)NC(=C)C;HYHBWOVHGOLSFY-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273201;MM273201;CN(NCC=O)C(N)=O;SQERDBYWMPUMRR-UHFFFAOYSA-N;131.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273202;MM273202;C=NN(CC=O)CCO;PWXHOMUZCQWKIS-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273203;MM273203;CN=C(CC=O)NC(C)=O;FMSAJWQEJPTCKB-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273204;MM273204;C=CCC(=NN)NC(C)=O;NRODPWGSAQQYPY-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273205;MM273205;CC(=O)NC(CC#N)=NO;HUSFCKKMQCNXSY-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273206;MM273206;C=CCC(=NC)NC(=N)N;JDNKJOSOJBGQFC-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273207;MM273207;C=CCC(=NN)NC(=N)N;FRYGBNJKKOJJSS-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273208;MM273208;C=CCC(=NO)NC(=N)N;FNRFEFUDYXPRAR-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273209;MM273209;NC(=O)NC(=CF)NC=O;TXCGEWMVIWGROJ-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273210;MM273210;C=CNC(=NN)NC(C)=N;XYRDYBJSJUHPMN-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273211;MM273211;CC(=N)NC(=NN)NC=N;UMYKBCZUIODSSG-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273212;MM273212;CC(=N)NC(=NO)NC=O;PUPYXPRGTGBAEL-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273213;MM273213;CN(C)N(C=N)C(N)=O;FSNJHDUSKVOTMU-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273214;MM273214;CC(=O)NC(=NO)NC=O;QCERPKFDAVZRDW-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273215;MM273215;N=CNC(=NO)NC(=N)N;XDZUDFZQSUVOFQ-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273216;MM273216;N=C(N)NC(=NO)NC=O;LGGPKZMYNZQOFD-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273217;MM273217;CNN(C(C)=N)C(N)=O;BJQZFCBCYHOAPY-UHFFFAOYSA-N;130.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273218;MM273218;NN1CC(CO)CC1=O;WGPHAFVSFTZART-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273219;MM273219;CC1CN1C(=N)C(N)=O;JSQQPWVTGKAJIJ-UHFFFAOYSA-N;127.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273220;MM273220;C=COC(=CF)NC(C)=O;GXGCIJXDSMRGQT-UHFFFAOYSA-N;145.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273221;MM273221;C=COC(=CC)NC(=N)N;DNHSLJYKTHEDSH-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273222;MM273222;C=COC(=CF)NC(=N)N;KQKCYRLVJTUHDF-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273223;MM273223;C=COC(=CC)NC(N)=O;WACAONUZFRVLQB-UHFFFAOYSA-N;142.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273224;MM273224;CC(=O)NC(=NN)OC=O;VMAKZWJQHXFZDK-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273225;MM273225;CC(=O)NC(=NO)OC=O;GZZLTFGHHBTZKZ-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273226;MM273226;N=C(N)NC(=NN)OC=O;QLZYDWLCVAACFD-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273227;MM273227;C=NOC(=NO)NC(=C)C;RFBRJADKAMOJSL-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273228;MM273228;C=NOC(=NN)NC(=N)N;NHJSWVGMBZKMSS-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273229;MM273229;C=NOC(=NO)NC(=N)N;YTMWMKVXTGMRLJ-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273230;MM273230;C=NOC(=NO)NC(N)=O;LESCGIIYXPOBEM-UHFFFAOYSA-N;146.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273231;MM273231;C=C(C)OC(=CF)CC=O;FPUIXFGPQZNJMW-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273232;MM273232;C=C(C)OC(=CC)NC=O;PEWSJDDNDRPKEK-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273233;MM273233;CC(=O)OC(=NN)NC=O;ZPXOJMCEHSXBDC-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273234;MM273234;CC(=O)OC(N=CN)=NO;ZDTIBXBOVYITFU-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273235;MM273235;CC(=O)OC(=NO)NC=O;NYQQFMGRXDGGMK-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273236;MM273236;NN=C(NC=O)OC(N)=O;ZARFJQWSRZOCLU-UHFFFAOYSA-N;146.11;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273237;MM273237;NC(=O)OC(=NO)NC=O;SCHIGHMRRMUGDB-UHFFFAOYSA-N;147.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273238;MM273238;C=NNC(=NO)OC(C)=O;QLLBGDPIBRQUGG-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273239;MM273239;CC(=O)OC(=NN)OC=O;STNIAFNZIKALKJ-UHFFFAOYSA-N;146.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273240;MM273240;NN=C(OC=O)OC(N)=O;PXDJGYATIVOJCN-UHFFFAOYSA-N;147.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273241;MM273241;C#CCC(=CF)CC(=C)C;PZBWZQXOQOAMAC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273242;MM273242;C#CCC(=CC)CC(C)=O;VWCVZTGDGXMRGO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273243;MM273243;C#CCC(=CC)CC(=N)N;XUEKBFJQJVRRFL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273244;MM273244;C#CCC(=CF)CC(=N)N;DAGOAGDMNBGBRV-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273245;MM273245;C#CCC(=CC)CC(N)=O;RUVCBDZVVDLPEU-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273246;MM273246;C#CCC(=CF)CC(N)=O;CAVJZAJMNVXPOG-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273247;MM273247;C#CCC(=CC)CC(=O)O;POCIPENPLIBKAW-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273248;MM273248;C#CCC(=CF)CC(=C)F;PBBIUPWYLDDQDN-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273249;MM273249;C#CCC(CC(=C)C)=NN;YBNCINGHHBBQRE-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273250;MM273250;C#CCC(=CC)NC(C)=O;LNFHTTBBMCZNDH-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273251;MM273251;C#CCC(=CC)NC(=N)N;UZYPYQQOMSBNLZ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273252;MM273252;C#CCC(=CC)NC(N)=O;JSPGZKOTOSBZPZ-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273253;MM273253;C#CCC(=CF)NC(N)=O;SAKPKQCEAFSDDN-UHFFFAOYSA-N;142.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273254;MM273254;C#CCC(=NC)NC(=N)N;GKUOUCJHTVFFLF-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273255;MM273255;C#CCC(=NN)NC(N)=O;LNVSHBBYLCLDHI-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273256;MM273256;C#CCC(=CF)OC(=C)C;ONADCUTWTKIUNJ-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273257;MM273257;C#CCC(=O)CN1CC1;INHVBIHFEVVZLY-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273258;MM273258;C=NNC1C(C)C1CO;KSQPYGKZJMCOQB-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273259;MM273259;CC=C(C=CF)CC(C)N;QKCCCQMDZKVDEC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273260;MM273260;CC=CC(=CF)CC(C)N;BXDCGRIPDJIAMC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273261;MM273261;CC(N)CC(C=CF)=CF;MOVRMZZXFVUFDV-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273262;MM273262;CC=CC(=CF)CC(C)O;MZNNWVYSEYQTJZ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273263;MM273263;FC=CC(=CF)CC(F)F;JBJSBHVCPDYIEL-UHFFFAOYSA-N;154.11;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273264;MM273264;CC(N)CC(C=NO)=CN;LFUARADTIMQPJI-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273265;MM273265;CNC(=O)CON=C(C)C;KZPSQUALSFAMLD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273266;MM273266;NC=C(C=NN)CC(F)F;WOTFWQBKVPLAOR-UHFFFAOYSA-N;149.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273267;MM273267;CON=CNOCC(N)=O;SUPNHRXCRXZQHU-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273268;MM273268;NC=CC(CC(F)F)=NN;ODDLXZQNQOOYGQ-UHFFFAOYSA-N;149.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273269;MM273269;NC=CC(CC(F)F)=NO;VWJPJEMZZRFLNH-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273270;MM273270;CC(C)CC(C=NO)=NN;QDPRIOWSYVQAKK-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273271;MM273271;C=COC=NOCC(N)=O;BUMSNUAERFCIIX-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273272;MM273272;NN=C(C=NO)CC(F)F;AAKIQLWWFDUPAA-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273273;MM273273;CC(C)N=C(C=CN)NN;UDMAGLRWNXFCED-UHFFFAOYSA-N;142.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273274;MM273274;CCC(=NN)N(N)C(N)=O;IEAAIHGAOZZLHU-UHFFFAOYSA-N;145.17;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273275;MM273275;CC=C(C=NN)CN(C)C;POCWCKJCVVDPJL-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273276;MM273276;CN=C(C=CN)NN(C)C;YHJDMCBBPFMUQB-UHFFFAOYSA-N;142.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273277;MM273277;CN(C)N=C(C=CF)NN;GMSLEMNIFPHCBP-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273278;MM273278;COCCN=C(N)C(N)=O;ZDEURYJFTJIYLM-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273279;MM273279;C=COC=CN(N)C(N)=O;FLNWEAGCMJAJTB-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273280;MM273280;CNN=C(C)N(N)C(N)=O;LVIVZSRPERNKJW-UHFFFAOYSA-N;145.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273281;MM273281;CC=CC(=CC)CC(=N)N;NIKPISOXPPKPOX-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273282;MM273282;CC=C(C=CF)CC(=N)N;SOISMIZOWYRAAS-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273283;MM273283;CC=CC(=CF)CC(=N)N;ZRNUTXCQUNSZBP-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273284;MM273284;C=C(C#N)C=CC(=O)NC;ANWWQNMGAZEDPP-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273285;MM273285;CC=C(C=CF)CC(N)=O;PWLYVLRVVZTIEO-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273286;MM273286;CC=CC(=CF)CC(N)=O;GUPXLVUABJKEJR-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273287;MM273287;CC=CC(=CC)CC(=O)O;KQENRVOBAZALKT-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273288;MM273288;CC=C(C=CF)CC(=O)O;XPLMCBWAYAWXIQ-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273289;MM273289;CC=CC(=CF)CC(=O)O;QXMLBPMJGXWZEO-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273290;MM273290;N=C(N)CC(C=NO)=CF;CKPOIKRRYYVSOY-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273291;MM273291;N=C(N)CC(C=CF)=NN;VXPICUAKGOMXCK-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273292;MM273292;N=CC=C(CC(N)=O)NO;DQSNCWWAAMMCGB-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273293;MM273293;C=CC(=O)NCCCC#N;GHSNTKGHISEGCD-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273294;MM273294;CC=CC(=CF)NC(C)=N;GBGNUYUMRMWAKR-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273295;MM273295;CC=CC(=CF)NC(C)=O;XGZNCIOLVHTGKW-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273296;MM273296;CC=C(C=CF)NC(=N)N;JZVTUXZMHXIZED-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273297;MM273297;CC=C(C=CF)NC(N)=O;KCSMHUMAASGYDY-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273298;MM273298;CC(=N)NC(C=NN)=CN;VVBAGFKABJXLMZ-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273299;MM273299;CC(=N)NC(C=NO)=CN;PFYAPALRKMBTSH-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273300;MM273300;CC(=O)NC(C=NO)=CN;PNNIAGWMSPZVII-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273301;MM273301;CNN=COCC(C)CO;ZXNNRMZNLZYJLI-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273302;MM273302;CC(=O)NC(C=NO)=CF;KYZFTAZTPCENJC-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273303;MM273303;CC=C(C=NN)NC(=N)N;RBMSNHLZUFFNOE-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273304;MM273304;N=C(N)NC(C=NN)=CN;NYODMHWYARBUBT-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273305;MM273305;N=C(N)NC(C=NO)=CN;HHKNWUFIPCLZBW-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273306;MM273306;CC=CC(=NC)NC(C)=N;CYJNJONPZLQSNE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273307;MM273307;CN=C(C=CN)NC(C)=N;VENHZQKIOKUIOQ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273308;MM273308;CC(=N)NC(C=CN)=NN;ZBTPOQAGFZBGBF-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273309;MM273309;CC(=N)NC(C=CF)=NN;KGBYORSOAPBEMR-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273310;MM273310;CC(=N)NC(C=CN)=NO;CVWKMLFMBLYOAX-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273311;MM273311;C#CC(=O)N(CC=O)N=C;XAAOCJBSFPCCNN-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273312;MM273312;CN=C(C=CF)NC(C)=O;YRRDKFOLHSHSAK-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273313;MM273313;CC(=O)NC(C=CN)=NN;LUYBEAVYKSZPOD-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273314;MM273314;CC(=O)NC(C=CF)=NN;PXBWDBYIFIPTFF-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273315;MM273315;CCN(N)C(=NN)C(N)=O;REKGAHSQSIABJI-UHFFFAOYSA-N;145.17;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273316;MM273316;CC(=O)NC(C=CF)=NO;QVQIYMPORDBCBP-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273317;MM273317;CC=CC(=NC)NC(=N)N;KPHDULZMUKEMNP-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273318;MM273318;CC=CC(=NN)NC(=N)N;MOUVGOGPWISFKA-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273319;MM273319;N=C(N)NC(C=CN)=NO;CVPLBFJJCKRPOE-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273320;MM273320;C#CCNN(C=C)C(N)=O;MDPYQXJUEAVPIB-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273321;MM273321;NN=C(C=CF)NC(N)=O;RNAKNOCASIOGGT-UHFFFAOYSA-N;146.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273322;MM273322;CC1CN1C(=N)C(F)C=O;OORSMSKGFVLZHG-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273323;MM273323;NC(=O)NC(C=CF)=NO;OWDNZNBNKMWNED-UHFFFAOYSA-N;147.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273324;MM273324;C#Cc1n[nH]c(C=C)c1C;GNMYHAOZSWHLMW-UHFFFAOYSA-N;132.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273325;MM273325;C=NNC1CC1CO;HWFJTMHRICASLU-UHFFFAOYSA-N;114.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273326;MM273326;CC(=N)NC(C=NN)=NN;ITRDOAKSZMQYHX-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273327;MM273327;OCC1CC1N1CC1;QIAKRENNFWDVJG-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273328;MM273328;CCC(=N)N(N)C(N)=O;MBVJGVVBUCLHQH-UHFFFAOYSA-N;130.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273329;MM273329;CC(=O)NC(=CNO)N=O;BAUAGVPHYZIVQO-UHFFFAOYSA-N;145.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273330;MM273330;N=C(N)NC(C=NO)=NN;AQFKFDAATUXGQI-UHFFFAOYSA-N;144.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273331;MM273331;N=C(N)NC(C=NN)=NO;KOYYXJYYVDYLON-UHFFFAOYSA-N;144.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273332;MM273332;CC(=O)OC(C=NO)=CN;UYNSZQISEGLNGS-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273333;MM273333;CN=C(C)N(N)C(N)=O;QTSVGTBRPAAWRF-UHFFFAOYSA-N;130.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273334;MM273334;CC(=O)OC(C=CN)=NO;QSZQSODVAUPNEK-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273335;MM273335;CN(NCCF)C(N)=O;VUVSAJNPBJNFRY-UHFFFAOYSA-N;135.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273336;MM273336;NC=CC(=NO)OC(N)=O;IBYDLTAOWONPKU-UHFFFAOYSA-N;145.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273337;MM273337;C=C(C)OC(C=NN)=NO;UPBQCYITNOQRIX-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273338;MM273338;C=C(C=NN)C(C)CO;ISFKFJGXAGRSIB-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273339;MM273339;CN=CN(NC)C(N)=O;KIFCYWMWNSXDFM-UHFFFAOYSA-N;130.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273340;MM273340;NN=C1C=CC(CO)C1;BDMZWDFJOOGSLL-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273341;MM273341;CC#CC(=CF)CC(C)C;VQCUNDXRSIILDQ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273342;MM273342;CC#CC(=CF)CC(C)N;FACJJDKXFJXEIB-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273343;MM273343;C=Cc1cc(NC)n[nH]1;ZYHTYKZBQGWEIL-UHFFFAOYSA-N;123.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273344;MM273344;CC#CC(=CF)CC(F)F;SBIKRVRQRMKCAS-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273345;MM273345;CC#CC(CC(C)N)=NO;FOVMXIFQHVLGIG-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273346;MM273346;CC#CC(=CC)OC(C)C;ASBLOLIZAJVTJC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273347;MM273347;CC#CC(=NO)OC(C)C;BWBQCBZJMVIYQD-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273348;MM273348;CC#CC(CN(C)C)=NN;MIOZAAOQNXUFEQ-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273349;MM273349;CC#CC(=NO)NN(C)C;AALGOGFHXDTZHU-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273350;MM273350;C=C(C)CC(C#CC)=CC;SHOUDHNMVGWCKW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273351;MM273351;C=C(C)CC(C#CC)=CF;XDZCWGJCTNJUJA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273352;MM273352;CC#CC(=CC)CC(C)=O;AZPMRCJZWDTDIX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273353;MM273353;CC#CC(=CF)CC(C)=O;JCENCTFFGVHISL-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273354;MM273354;CC#CC(=CC)CC(=N)N;NKCWYYCTLCVAIH-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273355;MM273355;CC#CC(=CC)CC(N)=O;YRLXVKYFBOPGGL-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273356;MM273356;CC#CC(=CF)CC(N)=O;BGSSXFOBQVOHTQ-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273357;MM273357;CC#CC(=CC)CC(=O)O;ODZVXTAYLSNOLA-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273358;MM273358;C=C(F)CC(C#CC)=CC;UIWMPEYFSZUONR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273359;MM273359;C=C(C)CC(C#CC)=NO;OLBGAYDHNUMGEO-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273360;MM273360;CC#CC(CC(=N)N)=NN;IAPDLKQFWJWRJN-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273361;MM273361;CC#CC(CC(=N)N)=NO;WRWBYXSDWAKMBU-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273362;MM273362;COC=C(C)C(=O)O;JQEBZBUGQPSANC-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273363;MM273363;CC#CC(=CC)NC(C)=N;GQRTXCLEKGQNBX-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273364;MM273364;CC#CC(=CF)NC(C)=N;ZQJGUFPZTMCJCL-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273365;MM273365;CC#CC(=CF)NC(C)=O;NYEYIHMUPWYVMX-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273366;MM273366;CC#CC(=CF)NC(N)=O;XDDWCGHGSVNCAR-UHFFFAOYSA-N;142.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273367;MM273367;C=C(C)NC(C#CC)=NC;WNBIURBOSISACI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273368;MM273368;CC#CC(=NN)NC(=N)N;YGFQEMINNAUMNJ-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273369;MM273369;CC#CC(=NO)NC(=N)N;BWDORBPRLGKHDY-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273370;MM273370;C=C(C)OC(C#CC)=CF;FJSOZHGRFUUSOG-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273371;MM273371;CC#CC(=CF)OC(C)=O;DOEPEGMCBUGCLS-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273372;MM273372;NN(C=O)C1CC1CO;KPXOPDVFBSNFON-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273373;MM273373;CCC=C(CC)CC(C)C;FADIGWZDWCMNSS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273374;MM273374;CC(C)CC(=CCF)CO;JJGKSOVCQUJMCR-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273375;MM273375;CCC(=CCN)CC(C)N;LWALUAHCLQHOCS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273376;MM273376;CCC(=CCO)CC(C)N;RFCHZXQYAGCPTM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273377;MM273377;CCC=C(CN)CC(C)N;ZVUQGMHQKOJILS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273378;MM273378;CC(N)CC(=CCO)CN;BVRURAKMSUAVTO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273379;MM273379;CC(N)CC(=CCF)CN;NVJPVJUGMXBUCC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273380;MM273380;CC(N)CC(=CCN)CF;YHKMIYWQDBJNTD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273381;MM273381;CCC=C(CN)CC(C)O;IWVFXMDBFVVZTP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273382;MM273382;CCC(=CCN)CC(C)F;BEMCDPZRBBAKSX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273383;MM273383;CCC=C(CN)CC(C)F;HWSGRBLOCCJNML-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273384;MM273384;CC(F)CC(=CCN)CN;UNMLDYVNBXUVAU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273385;MM273385;CC(F)CC(=CCF)CO;YGLWYULYWRKICM-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273386;MM273386;CCC=C(CN)CC(F)F;FACSZHSQWJWRKK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273387;MM273387;CCC(=COC)CC(C)O;SXMYPZCJKZYUPN-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273388;MM273388;COC=C(CC(C)O)OC;NMJMSIUWPLSZJX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273389;MM273389;COC=C(CC(C)F)OC;IUEUPHACWFABST-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273390;MM273390;COC=C(CC(F)F)OC;ZVGHLKPTAMKYET-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273391;MM273391;CCC(CC(C)C)=NNC;OBBRYJFHUHYYSJ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273392;MM273392;CNN=C(CO)CC(C)N;ABTSWPICQUIICA-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273393;MM273393;N#CCNC1CC1CO;DAUSVKJXEAMQGI-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273394;MM273394;CON=C(CO)CC(C)N;LENGTLOONIWVKK-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273395;MM273395;CON=C(CF)CC(C)N;FAWRXFXPMMGMJP-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273396;MM273396;CC(=CC(N)=O)OCC#N;STMXWKKKCRANQX-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273397;MM273397;CN(C)N=CN(N)C(N)=O;GFMHDQQLCNXZAQ-UHFFFAOYSA-N;145.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273398;MM273398;CCC(CC(C)F)=NOC;YDCGPGVVUGDCHL-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273399;MM273399;CN(C)N=C(NN)C(N)=O;NXNHSXHBVBLVAW-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273400;MM273400;CON=C(CC(C)N)OC;LDCYIXMNZKPWSI-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273401;MM273401;CON=C(CC(C)F)OC;UXKFHNWSNSXODR-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273402;MM273402;CCN=C(CN)NC(C)C;OIMGUKIFJMKSEI-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273403;MM273403;CNN=C(NC)NC(C)C;HBBCPFRCFHDZQA-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273404;MM273404;CON=C(NC(C)C)OC;LEMPIDXKCBAYNQ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273405;MM273405;CC(C)OC(=CCN)CN;JXLHWRPXCRCIED-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273406;MM273406;CC(C)OC(=CCF)CN;UAHYAPGFLVRPKM-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273407;MM273407;CC(C)OC(=CCF)CO;DMDYZLZTCIBWLE-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273408;MM273408;COC=C(CN)OC(C)C;BJLJSKTWUVUBNC-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273409;MM273409;COC=C(CO)OC(C)C;PCPOVTFZDKIEFX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273410;MM273410;NC(=O)C=NNC=CC=O;YCTHOFKCRZREEH-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273411;MM273411;CON=C(OC)OC(C)C;AQHUJDXZHCSPCV-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273412;MM273412;CCC=C(CC)CN(C)C;MFJWUIQPCKUEJB-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273413;MM273413;CN(C)CC(=CCN)CN;OLRJMGFYTNHFGW-UHFFFAOYSA-N;143.23;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273414;MM273414;CN(C)CC(=CCO)CN;DYEFRVAPDIAFCB-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273415;MM273415;COC(=CCN)CN(C)C;BRRGXYFOFDBGBF-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273416;MM273416;CCN=C(CF)NN(C)C;HJGWCKWWPSBLLP-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273417;MM273417;C=CC(=NC)N(N)C(N)=O;KMPKSXBUQZLFQW-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273418;MM273418;CN(N=CC=CN)C(N)=O;CGNGSZVHSFSMOJ-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273419;MM273419;CCN=C(NC)NN(C)C;IQZKVZZOUYQNBX-UHFFFAOYSA-N;144.22;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273420;MM273420;CNN=C(NC)NN(C)C;AMSITDSRTCOHKR-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273421;MM273421;CNN=C(NN)NN(C)C;FPHZXURNXMNOOT-UHFFFAOYSA-N;146.2;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273422;MM273422;CNN=C(NO)NN(C)C;BLMAEJIFQJTYFY-UHFFFAOYSA-N;147.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273423;MM273423;CCC(=CC#N)CC(C)C;REWJFGFROIGQNV-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273424;MM273424;CC(C)CC(=CC#N)CF;CFZGDVPLKHIGRN-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273425;MM273425;C=CC=C(CF)CC(C)N;GZZHNAHEFWJPAJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273426;MM273426;C=CC=C(CN)CC(F)F;DDVBVNKTURLZLD-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273427;MM273427;C=CC=C(CC(C)N)OC;POCWZUWWMDHTGV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273428;MM273428;C=NN=C(CC)CC(C)N;PGGZIALCZPWCRG-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273429;MM273429;C=NN=C(CC)CC(C)O;LKZDUGRQIYUICC-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273430;MM273430;C=NN=C(CC(C)F)OC;GEOHHYAQVYPVRV-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273431;MM273431;C=NN=C(CC(F)F)OC;IUQIKNVRKGDKQR-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273432;MM273432;CCC(=CC#N)NC(C)C;QSUONMRZXLRGCP-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273433;MM273433;CC(C)NC(=CC=O)CO;VTYHWQHPBLOSCP-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273434;MM273434;COC(=CC#N)NC(C)C;PNSWTOMRMRNROB-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273435;MM273435;CNC(=NC=N)NC(C)C;RILPYHFJJXQZGV-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273436;MM273436;C=NN=C(CO)OC(C)C;ODTJXRIEMTXKTO-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273437;MM273437;CNN=C(CCO)C(N)=O;XFRVMKWEWHSOGV-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273438;MM273438;CC(C)OC(=NC=O)NO;YORNGQMUNDTGFJ-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273439;MM273439;CNN=C(NNC)C(N)=O;JDMWHLWPBAIQBJ-UHFFFAOYSA-N;145.17;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273440;MM273440;C=NN=C(OC)OC(C)C;PMTICLYLNWHCQE-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273441;MM273441;CCC(=NN(C)C)NC=N;ABIUTAWTULUZJN-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273442;MM273442;CCC(=NN(C)C)NC=O;YGXYWQZJVXSDKW-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273443;MM273443;CN(C)N=C(CO)NC=O;ALIGCRJOOXRMRI-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273444;MM273444;CN(C)NC(=NC=N)NN;ZQDCFNXVJYTHGO-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273445;MM273445;CN(C)NC(=NC=N)NO;JBMRXKCBCYZHAI-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273446;MM273446;Cn1c(N)nc(N)nc1=O;QVHHLQSBIGYKSY-UHFFFAOYSA-N;141.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273447;MM273447;CC(CO)CN=C(N)C=O;RCPCDIHAFBLBOF-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273448;MM273448;C#CC=C(CN)CC(C)C;YYDOMDSGTUTDBJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273449;MM273449;C#CC=C(CF)CC(C)C;RXSAGLALDTZTMM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273450;MM273450;C#CC=C(CC)CC(C)N;PWGWHDKGDARLKS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273451;MM273451;C#CC=C(CO)CC(C)N;GGQUNDNZABMJQK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273452;MM273452;COC(=NN)OCC(N)=O;KGBLQOPLHAKMIP-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273453;MM273453;C#CC=C(CC)CC(C)F;ZLTHYQOOQXKTRA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273454;MM273454;C#CC=C(CC(C)C)OC;CNCVMDILYUAYSB-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273455;MM273455;C#CC=C(CC(C)N)OC;XCTVNZLZRBSLHO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273456;MM273456;C#CC=C(CC(C)O)OC;DIPQIMAZCYYXAX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273457;MM273457;C#CC=C(CO)OC(C)C;BCSWLHDEALOKQU-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273458;MM273458;C#CC=C(CC)CN(C)C;BOBAWVCCDNNSDT-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273459;MM273459;C=CC(=CCC)CC(C)C;QZZBVCINFTWCGR-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273460;MM273460;C=CC(=CCC)CC(C)N;SKMARDHTMBCIAX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273461;MM273461;C=CC(=CCN)CC(C)N;GYYSMRVLAYMILD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273462;MM273462;C=CC(=CCN)CC(C)O;PUBVRRARDVGUIU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273463;MM273463;CNC(=O)N(C)C(C)=NN;DAWAJPLYGISNQM-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273464;MM273464;CC(O)CC(C=O)=CCO;DGFCJZGGBJDKGY-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273465;MM273465;C=CC(=CCN)CC(C)F;PMMAQCXYHKSVAW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273466;MM273466;C=CC(=CCF)CC(C)F;GGXVHQSGFPQGAA-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273467;MM273467;CC(F)CC(C=O)=CCO;STVVMNCEWDFOAH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273468;MM273468;O=CC(=CCF)CC(F)F;TUNMRTJFDDAKRS-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273469;MM273469;CNC=C(C=O)CC(C)C;RMIQSYAQZZMFKB-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273470;MM273470;C=C(C=NOC)C(C)CO;DSGWSZQCTFVWDL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273471;MM273471;CNC=C(C=O)CC(C)F;GIGQRVJLUMUORX-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273472;MM273472;C=CC(CC(C)N)=NOC;FNQBVPMGPICZGN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273473;MM273473;C=NNC=NCC(C)CO;ACCFHLFKCDQXFV-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273474;MM273474;CON=C(C=O)CC(C)F;OKGFAAKRJNHQNI-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273475;MM273475;CON=C(C#N)CC(C)F;PALZLNDOVNYOKB-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273476;MM273476;C=NNC(CF)C(C)CO;NOQDAIYGDMKZCH-UHFFFAOYSA-N;148.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273477;MM273477;CCC=C(C#N)OC(C)C;XJNXEROIQMKRCB-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273478;MM273478;CC(C)OC(C=O)=CCO;PWTMWFODZXQYNK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273479;MM273479;CNC=C(C=O)OC(C)C;LJCNIMNAWJYABD-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273480;MM273480;CNC=C(C#N)OC(C)C;PLERHCOWKPSJSQ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273481;MM273481;C=CC(=COC)OC(C)C;NAFSFEDVVISXEC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273482;MM273482;COC=C(C=O)OC(C)C;JXBQSISOOZOEOC-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273483;MM273483;C=CC(=NOC)OC(C)C;AALQWNKQZFNYTC-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273484;MM273484;CON=C(C#N)OC(C)C;IUIRILZBQSVKLU-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273485;MM273485;C=CC(=CCN)CN(C)C;BSFRJHKMPUPLAF-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273486;MM273486;COC=C(C#N)CN(C)C;XZAVRRKFKIGIOO-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273487;MM273487;C=CC(=N)N(NC)C(N)=O;PQQFJIMWPAPKMP-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273488;MM273488;CNN(C)C(=NN)C(N)=O;OSUQZRMOKMTYGU-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273489;MM273489;C=CC=C(C=C)CC(C)C;BAEIDGCAXNZCQI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273490;MM273490;C=CC=C(C=O)CC(C)C;OVRWSSPLBMFDLR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273491;MM273491;CC(C)CC(C#N)=CC#N;URVNUYDTVNHCEN-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273492;MM273492;C=CC=C(C=C)CC(C)N;DFQYCDLTSZVXPJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273493;MM273493;N#CC=C1CC(CO)CN1;IWQMPMMMRAFZTF-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273494;MM273494;C=CC(=CC=O)CC(C)F;PBXLQGGNUFENAL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273495;MM273495;O=CC=C(C=O)CC(F)F;GCVIIMFGYMXXEU-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273496;MM273496;N#CC=C(C=O)CC(F)F;UPIHULITDXZSKX-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273497;MM273497;C=CC(CC(C)N)=NN=C;XJKICHHESGYDBT-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273498;MM273498;C=CCc1cc(NN)n[nH]1;QNEJHRYXYZOJOL-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273499;MM273499;C=CC(=CC#N)OC(C)C;DRIJZRXSQYMIFO-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273500;MM273500;CC(C)OC(C#N)=CC=O;RSSYRNYVZPFBIS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273501;MM273501;C=NN=C(C#N)OC(C)C;MAMQCJUMXJICJT-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273502;MM273502;C=CC=C(C#N)CN(C)C;ZMKJVHIVIWOZBC-UHFFFAOYSA-N;136.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273503;MM273503;CN(C)CC(C#N)=CC=O;KHPHPNVNZUSOLA-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273504;MM273504;C=CC(=NN(C)C)NC=O;KQKORJIMACWXFT-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273505;MM273505;C#CCOC(C)CC(=O)O;ISNFWKIZBYLYRD-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273506;MM273506;C#CC=C(C=C)CC(C)C;QBOLIUKNYVRSAR-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273507;MM273507;C#CC=C(C=O)CC(C)C;OUTBDZGQFWXCTL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273508;MM273508;C#CC=C(C#N)CC(C)C;UVCQZZRXMPOMHX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273509;MM273509;C#CC=C(C=C)CC(C)N;WGJLAFTXAYTEOM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273510;MM273510;C#CC=C(C=C)CC(C)F;GHPRJQOAXCNULH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273511;MM273511;C#CC=C(C#N)CC(F)F;YXTHKNWJXDUOPO-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273512;MM273512;C#CC=C(C=C)OC(C)C;MVVSSIKHARYYRR-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273513;MM273513;C#CC=C(C=O)OC(C)C;WEFBENPCNHPWPP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273514;MM273514;C#CC=C(C#N)OC(C)C;FWTHLIUICVFNRE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273515;MM273515;C#CC=C(C#N)CN(C)C;PPUJLMUYTPCFCS-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273516;MM273516;C#CC(=CCC)CC(C)C;WWAULHFFZYLHPQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273517;MM273517;C#CC(=CCN)CC(C)C;FIQCWLNTLJZIQN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273518;MM273518;C#CC(=CCN)CC(C)N;ALZJEKRSNQWHJB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273519;MM273519;C#CC(CC(C)F)=NNC;KHTMNSBDTBMWGA-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273520;MM273520;C#CC(CC(F)F)=NNC;ZKOPAEPGUQRBIS-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273521;MM273521;C#CC(CC(C)F)=NOC;KTQPKZCQPWHKRF-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273522;MM273522;C#CC(=NOC)NC(C)C;ANNBNIWRWKDEAC-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273523;MM273523;C#CC(=NOC)OC(C)C;CSVPNGOMWAMSQD-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273524;MM273524;C#CC(=CCN)CN(C)C;CPAQHJYPKTYJQP-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273525;MM273525;C#CCC(=O)C=NN1CC1;DSZDWMWXVVHRFI-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273526;MM273526;C#CC(=NOC)NN(C)C;LVJHPFNXOBACFH-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273527;MM273527;C#CC(=CC#N)CC(C)C;ZAFBFOMHDVHOMA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273528;MM273528;C#CC(=CC=C)CC(C)N;YKTMWEGYKHVYSA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273529;MM273529;C#CC(=CC=C)CC(C)F;HTRBBFAAVCVBKF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273530;MM273530;C#CC(=CC=C)CC(F)F;WGOWELCFMGUKLU-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273531;MM273531;C#CC(=CC#N)CC(F)F;LICXVPWMSUUGIJ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273532;MM273532;C#CC(=CC=C)OC(C)C;ADRPMSBZEUKGBD-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273533;MM273533;C#CC(=CC#N)OC(C)C;UGXZYKRTNJWMTJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273534;MM273534;C#CC(=NN=C)OC(C)C;WAGFYRMROTXGLR-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273535;MM273535;C#CC=C(C#C)CC(C)C;DFQNTGBMCJULOD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273536;MM273536;C#CC=C(C#C)CC(C)N;CYSPNKASBJBZCR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273537;MM273537;CCC(CO)C1NC1CF;NZUUIYVTDQRIAO-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273538;MM273538;C#CC=C(C#C)CC(C)F;RUHLLBQCWJPNEV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273539;MM273539;C#CC=C(C#C)CC(F)F;DTINADGTPAMMKB-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273540;MM273540;C#CC=C(C#C)OC(C)C;NQKQZVOSHDSFMC-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273541;MM273541;C=C(C)CC(=CCC)CC;LMOJMZDAPWOIAJ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273542;MM273542;CCC(=CCO)CC(C)=O;BBPQUGJECXCNMU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273543;MM273543;CC(=O)CC(=CCO)CO;XFWGWCMOLSDDLI-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273544;MM273544;CCC(=CCN)CC(=N)N;RNGVILOBOOKTNU-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273545;MM273545;CCC(=CCO)CC(=N)N;PILSNTDVFSODAR-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273546;MM273546;CCC=C(CN)CC(=N)N;VFCGCFWXSZOMMI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273547;MM273547;C=NN(CC)C1CC1CO;QXHSVIUFIQRSPH-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273548;MM273548;CCC(=CCN)CC(N)=O;PNUYTIACTZSFDB-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273549;MM273549;CCC=C(CN)CC(N)=O;RJINJCBABZCCSY-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273550;MM273550;C=CCCOC(C)C(=O)O;YZEUQGORHPHYHI-UHFFFAOYSA-N;144.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273551;MM273551;CC(=CC(F)CO)C(=O)O;RSUGYVMLNVSSMG-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273552;MM273552;C=C(F)CC(=CCN)CN;OSBXOQIWYMVKER-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273553;MM273553;C=C(F)CC(=CCF)CO;FZKVWMNDELDVGD-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273554;MM273554;C=C(F)CC(=CCO)CF;XSKLNLJUJSOBIB-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273555;MM273555;COC=C(CO)CC(=N)N;YWHYYYQRSJGVBP-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273556;MM273556;COC(=CCO)CC(=N)N;HJWGIOHJIHZJRP-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273557;MM273557;COC(=CCO)CC(N)=O;YUWOLWGXJIPPPR-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273558;MM273558;C=C(C)CC(=COC)OC;GZDMBXHNYTWHIS-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273559;MM273559;COC=C(CC(N)=O)OC;POWQZZHJWREADW-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273560;MM273560;CC(O)(C=CC(=O)O)CO;BKSWEGNTBWMXMX-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273561;MM273561;C=C(F)CC(=COC)OC;LCBNXLDGCUVRAU-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273562;MM273562;C=C(C)CC(CC)=NNC;FUWSNCDHABLDTQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273563;MM273563;CCC(CC(=N)N)=NNC;QSWOZILXZHPGIR-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273564;MM273564;CNN=C(CN)CC(=N)N;WXVYAVCFHXXKIN-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273565;MM273565;CNN=C(CO)CC(=N)N;PWCTXNUHYFWOHS-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273566;MM273566;C=NN(C=N)C1CC1CO;XUNBZUZTCFAZKF-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273567;MM273567;CC(=CC(=O)O)C(O)CO;XTMYFOZVUJTIRF-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273568;MM273568;CON=C(CN)CC(=N)N;YHLAGNNIIXVFGU-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273569;MM273569;CON=C(CO)CC(=N)N;IHFHAYWGYMJMMP-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273570;MM273570;C#CCC(=O)C1NC1C#N;BQGGZRYIPSYZIQ-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273571;MM273571;CON=C(CN)CC(N)=O;QODIUQWCLYZNPM-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273572;MM273572;CON=C(CO)CC(N)=O;FUXCQUCGBQTESR-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273573;MM273573;C=CC=C(CO)C(=O)O;VGSPRDCQTUYCSL-UHFFFAOYSA-N;128.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273574;MM273574;OCC1CCC2(CF)NC12;PYZRLABENDNFRE-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273575;MM273575;CNN=C(CC(=N)N)OC;PMDVVRTVBCMOLO-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273576;MM273576;C=C(C)CC(=NOC)OC;BSSDAEPMQKBQCA-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273577;MM273577;N#CC12CC1C(CO)CN2;JFLWIXUSXYUKAA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273578;MM273578;CON=C(CC(=N)N)OC;MNQQJGUPZIOIAT-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273579;MM273579;C=NNC1CC(O)C1;OXVRTRWHEKDMSS-UHFFFAOYSA-N;114.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273580;MM273580;Nc1c[nH]c(CF)n1;UANOYOJJFASPQW-UHFFFAOYSA-N;115.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273581;MM273581;CCC=C(CC)NC(C)=N;DTETVYBULHFKRB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273582;MM273582;CCC(=CCN)NC(C)=N;PTXNOYGNGWYNMM-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273583;MM273583;CCC(=CCO)NC(C)=N;LPLZVHSUOSHMFN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273584;MM273584;CCC=C(CN)NC(C)=N;PKLNMDCPAHVDIQ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273585;MM273585;CC(=N)NC(=CCO)CN;PLFLHTSGTGADMI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273586;MM273586;CCC=C(CO)NC(C)=N;RFVRNBMBYJYAIN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273587;MM273587;CC(=N)NC(=CCO)CO;YYQCGSJKVNHYFZ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273588;MM273588;CC(=N)NC(=CCF)CO;SMHHZBLULQMWRG-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273589;MM273589;CCC(=CCN)NC(C)=O;YRFFRDKVZXVZLP-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273590;MM273590;CCC(=CCO)NC(C)=O;RWXNWQCDWRNHHB-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273591;MM273591;CC(=O)NC(=CCN)CN;SIPCIGBYULCSCH-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273592;MM273592;CCC=C(CO)NC(C)=O;LFMNHUSADZVEGJ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273593;MM273593;CC(=O)NC(=CCO)CO;MHGPWIQJJIBDMH-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273594;MM273594;CC(=O)NC(=CCN)CF;HZRUNFGGKOBWCM-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273595;MM273595;CCC(=CCN)NC(=N)N;QOKADJFZKYUZTP-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273596;MM273596;CCC=C(CN)NC(=N)N;LUHYGQFCJZIJOT-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273597;MM273597;CCC=C(CO)NC(=N)N;STLOESGUAUOKEM-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273598;MM273598;CCC(=CCO)NC(N)=O;GXULCXVTVDVRMD-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273599;MM273599;NC(=O)NC(=CCO)CO;ISAVGQAUSFWTRA-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273600;MM273600;CCC(=COC)NC(C)=O;JIOADNUKGOMFGL-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273601;MM273601;COC=C(CO)NC(C)=O;KFNKIGZCLQQFHO-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273602;MM273602;COC=C(CF)NC(C)=O;RSAWGNSBVBBXBR-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273603;MM273603;CCC(=COC)NC(=N)N;LNJLANYUQIGSAS-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273604;MM273604;COC=C(CN)NC(=N)N;HIJQWUREPULFSR-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273605;MM273605;COC=C(CO)NC(=N)N;DTVTXWDXVVKQKB-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273606;MM273606;COC=C(CF)NC(=N)N;LNCFWLYVUKHVJI-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273607;MM273607;COC=C(CO)NC(N)=O;VIYNUUHKRHMPCZ-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273608;MM273608;CCC=C(NC(C)=N)OC;FWAFWORKPXQOLB-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273609;MM273609;COC(=CCO)NC(C)=N;TWDXUCGUCWNHHX-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273610;MM273610;COC(=CCF)NC(C)=N;IYQLPXBJYHTLCA-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273611;MM273611;COC(=CCO)NC(C)=O;GLOUBMCYRLNLQS-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273612;MM273612;COC(=CCN)NC(=N)N;QLIYYKSNJOJULV-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273613;MM273613;COC(=CCO)NC(=N)N;UUWSGXUZBNREGM-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273614;MM273614;COC(=CCO)NC(N)=O;FFDRWBUYYMVSBO-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273615;MM273615;C=C(C)N=C(CO)NCC;CSQAALVBSGGVPT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273616;MM273616;CCN=C(CN)NC(C)=N;PLZWYECATLMULH-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273617;MM273617;CCN=C(CO)NC(C)=N;QFCHZKGNOIVKOC-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273618;MM273618;CCN=C(CO)NC(C)=O;NYUNXXNAUIHEHY-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273619;MM273619;CCN=C(CF)NC(C)=O;AIFDDGRKTOKAIW-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273620;MM273620;CCN=C(CC)NC(=N)N;QEEPUAOTOBPMBZ-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273621;MM273621;CCN=C(CO)NC(N)=O;METZCWSKCMDLBG-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273622;MM273622;CNN=C(CN)NC(C)=N;YZXXNHPJIGJAJI-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273623;MM273623;CNN=C(CO)NC(C)=N;NKXAHSZEICYWIA-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273624;MM273624;CNN=C(CF)NC(C)=N;JFCXONRUVYMWQG-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273625;MM273625;CNN=C(CO)NC(C)=O;NCYRRJFSLBVUKZ-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273626;MM273626;CNN=C(CF)NC(C)=O;PHMKWXVEOVPTFB-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273627;MM273627;CCC(=NNC)NC(=N)N;MNXLIEGODAIQHF-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273628;MM273628;CNN=C(CN)NC(=N)N;RFTTUDSOMWNOQR-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273629;MM273629;CNN=C(CF)NC(=N)N;KETXJIGQSZRNHX-UHFFFAOYSA-N;147.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273630;MM273630;CCC(=NNC)NC(N)=O;DSTXVCFCKGHPME-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273631;MM273631;CNN=C(CF)NC(N)=O;HWQGLUJXKKKLET-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273632;MM273632;CON=C(CO)NC(C)=O;QTFYRWFCPSYKNE-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273633;MM273633;CCC(=NOC)NC(=N)N;GTOHFTGWLPRLTH-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273634;MM273634;CON=C(CN)NC(=N)N;DUPMBNCDHVXKHM-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273635;MM273635;CON=C(CO)NC(=N)N;OCPIIDJTHYUDAN-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273636;MM273636;CCN=C(NC)NC(C)=N;QELHGVKWFNXYOH-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273637;MM273637;CCN=C(NN)NC(C)=O;MPKDCLASKLYATG-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273638;MM273638;CCN=C(NC)NC(N)=O;ROIFBUUXGQXEPJ-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273639;MM273639;CNN=C(NC)NC(C)=N;HVCWJJACLWVUAT-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273640;MM273640;CNN=C(NN)NC(C)=N;OQYWZEYSSCCQKF-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273641;MM273641;CNN=C(NO)NC(C)=N;XRBPKXMFXFBPMS-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273642;MM273642;OCC1CC2CN2C1;BUJKZKVVSVPRMO-UHFFFAOYSA-N;113.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273643;MM273643;CNN=C(NN)NC(=N)N;SGKMEWHXMYRTMK-UHFFFAOYSA-N;145.17;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273644;MM273644;CNC(=NOC)NC(C)=N;BFWLDUHYEIAAAF-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273645;MM273645;CON=C(NN)NC(C)=N;AETZEFLYJPRHPJ-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273646;MM273646;CON=C(NO)NC(C)=N;QKXDKHZFFLZFCQ-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273647;MM273647;C=C(C(N)=O)C(F)=CC;YLUVAMXKLRYJLT-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273648;MM273648;CON=C(NO)NC(C)=O;KRTFFPRJHGNSRG-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273649;MM273649;CNC(=NOC)NC(=N)N;ORTFDVWDTMRTEW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273650;MM273650;CON=C(NN)NC(=N)N;MIKDAYJADJQLGX-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273651;MM273651;CON=C(NO)NC(=N)N;OVBRYLNYATWXCE-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273652;MM273652;C=C(C)NC(=NOC)OC;HDKFKAKYXBLLIP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273653;MM273653;CON=C(NC(=N)N)OC;DWWIEASNYPSQDX-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273654;MM273654;C=C(C)OC(=CCO)CN;AFIJJEGYPSSWIU-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273655;MM273655;C=C(C)OC(=CCN)CO;WZNFNTXLTNQKLD-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273656;MM273656;C=C(C)OC(=CCO)CO;RIBATXFNSRXMGY-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273657;MM273657;CC(=O)OC(=CCN)CN;VZOALXSXMOCXCP-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273658;MM273658;C=C(C)C(=CF)C(N)=O;ZCKIIVRXUFSWQV-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273659;MM273659;NN(C=O)C1CC(O)C1;HHMZHPWRQFRUPR-UHFFFAOYSA-N;130.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273660;MM273660;C=NN(C)C1CC(O)C1;PZXHYGYMORJZCC-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273661;MM273661;CNN=C(CO)OC(N)=O;WFWWRHJCZVNHIA-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273662;MM273662;C=C(C)OC(CC)=NOC;JLZWZJIDTRTRAY-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273663;MM273663;CON=C(CO)OC(C)=O;BJOCWXKOPFBCRJ-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273664;MM273664;CON=C(CF)OC(C)=O;HHCPJNVAJTVMSZ-UHFFFAOYSA-N;149.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273665;MM273665;CON=C(CO)OC(N)=O;COQBUGLJULCDAA-UHFFFAOYSA-N;148.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273666;MM273666;CON=C(CF)OC(N)=O;YIGQLKJWGDSEAU-UHFFFAOYSA-N;150.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273667;MM273667;OCCC1CN1CCO;AAPPLPGEAIYIQN-UHFFFAOYSA-N;131.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273668;MM273668;N#CC1CC(CO)CN1;RDVPPNGTMLKDIR-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273669;MM273669;C=NN1CCC(CO)C1;GYLXBMGYNGWPLS-UHFFFAOYSA-N;128.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273670;MM273670;CC(CO)C1NC1CF;BIASLUQCYVEHFR-UHFFFAOYSA-N;133.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273671;MM273671;CNC(=NOC)OC(C)=O;RQZKEUJHAMFZRF-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273672;MM273672;CC(CO)C1NC1C=O;WTKPPDMYFPONQL-UHFFFAOYSA-N;129.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273673;MM273673;C#CC1NC1C(C)CO;MTAPFDZIAWWDCV-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273674;MM273674;C=CC=C(CC)CC(=C)C;VHPQGBDKGOQPRN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273675;MM273675;C=C(C)CC(=CC=O)CC;UKERQCWOPLFQNC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273676;MM273676;C=CC=C(CN)CC(=C)C;JHYNUSCTHILYHL-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273677;MM273677;C=CC=C(CC)CC(C)=O;QSTJXDATNIIACE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273678;MM273678;CCC(=CC#N)CC(C)=O;KJRHIHFSNWGBAT-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273679;MM273679;C=CC=C(CO)CC(C)=O;ZEBMOXQVIYCNPH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273680;MM273680;C=CC=C(CC)CC(=N)N;IYERJPBVSQIJPM-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273681;MM273681;CCC(=CC=O)CC(=N)N;STEWWIVPNDKYHS-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273682;MM273682;CCC(=CC#N)CC(=N)N;WONZUONGIFMEFG-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273683;MM273683;C=CC=C(CO)CC(=N)N;VNQVYALMHAWEIU-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273684;MM273684;C=C(OC(C)=NN)C(N)=O;GDQMNFLSRQQUSA-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273685;MM273685;CCC(=CC=O)CC(N)=O;VDAGQOOZWQGGMJ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273686;MM273686;CCC(=CC#N)CC(N)=O;FNBQUGOGFUAHQL-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273687;MM273687;C=CC=C(CN)CC(N)=O;KQOAKLLQPPFPHS-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273688;MM273688;NC(=O)CC(=CC=O)CF;CLZXPZVYRUKWMX-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273689;MM273689;C=C(F)CC(=CC#N)CC;JLHLWPULOICNLC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273690;MM273690;CNC(=CC=O)CC(C)=O;KNCVPCFZCNWLRG-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273691;MM273691;CNC(=CC#N)CC(=N)N;UWEDYFPFPGMAME-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273692;MM273692;COC(=CC#N)CC(=N)N;JYRQTUBNWBJFPO-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273693;MM273693;COC(=CC#N)CC(N)=O;SUVUCOZPYZGDCJ-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273694;MM273694;C=NN=C(CC(C)=O)OC;AXMICVJYTOQFCU-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273695;MM273695;C=NN=C(CC(=C)F)OC;WDOIEGIQHJUNDF-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273696;MM273696;CCC(=CC=O)N=C(C)N;CJIUTOIAHBQGIE-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273697;MM273697;C=CC=C(CN)NC(C)=N;KNHXQESMMQTDRK-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273698;MM273698;C=CC=C(CO)NC(C)=N;ZPJPZCVCGXEHDM-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273699;MM273699;CCC(=CC#N)NC(C)=O;CGSXXIOALBGTDZ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273700;MM273700;C=CC=C(CO)NC(C)=O;HKZFLQJJPXSBKD-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273701;MM273701;CC(=O)NC(=CC#N)CO;JRTPRGHNQDJNDC-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273702;MM273702;CCC(=CC#N)NC(=N)N;NEFGIFGMJHYMFN-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273703;MM273703;N=C(N)NC(=CC=O)CF;RWPNUMDRCZCTDG-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273704;MM273704;C=CC=C(CN)NC(N)=O;CEZRVEDYCOAIDK-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273705;MM273705;NC(=O)NC(=CC=O)CF;INAKAHFQQJSBOD-UHFFFAOYSA-N;146.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273706;MM273706;CNC(=CC=O)NC(N)=O;OEWUZCBANSKJOT-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273707;MM273707;C=CC=C(NC(C)=N)OC;VOQGJPLMMZSSGG-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273708;MM273708;COC(=CC=O)N=C(C)N;ZGIUPICTAHFUCW-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273709;MM273709;C=CC=C(NC(C)=O)OC;KWKLUDIVJNEPDU-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273710;MM273710;C=CC=C(NC(=N)N)OC;BHLRMWIDGMPJLK-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273711;MM273711;COC(=CC=O)NC(=N)N;ADGNDILKQRXIFT-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273712;MM273712;CC(=N)N=C(CO)NC=O;JYDLWYHUMZBPRQ-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273713;MM273713;NC(=O)C=COC(=O)CF;PPOQEOYSJVMATN-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273714;MM273714;CC(=O)NC(CO)=NC=N;OEVKSAGOHMLKSC-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273715;MM273715;CC(=O)NC(CF)=NC=N;ROYZVQTYWUSXKK-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273716;MM273716;N=CNC(CO)=NC(=N)N;YVUUUOHNVIZDCL-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273717;MM273717;N=C(N)N=C(CO)NC=O;IWRWJLJVELKAGL-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273718;MM273718;N=CNC(CF)=NC(=N)N;MUZMITUEMJIMTL-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273719;MM273719;N=CN=C(CO)NC(N)=O;YPSPRUTUCLGJRD-UHFFFAOYSA-N;144.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273720;MM273720;NC(=O)N=C(CO)NC=O;UKAUPKANJZIOKG-UHFFFAOYSA-N;145.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273721;MM273721;C=NN=C(CC)NC(C)=N;CBVAQFGZSLUYRN-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273722;MM273722;CNC(=NC=N)NC(C)=N;XMGIIPWHAQAFGM-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273723;MM273723;CNC(=NC=O)NC(C)=N;LLCPIAJISNOULP-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273724;MM273724;CC(=N)NC(=NC=O)NN;KBDJTORFKMGFLA-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273725;MM273725;CC(=N)NC(=NC=O)NO;PUPYXPRGTGBAEL-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273726;MM273726;NC(=O)CNN=COC=O;YPKPBLNLJXSSHR-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273727;MM273727;CC(=O)NC(=NC=O)NO;QCERPKFDAVZRDW-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273728;MM273728;N=CN=C(NN)NC(=N)N;GOPFPGBKSARVLT-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273729;MM273729;N=C(N)NC(=NC=O)NN;QSRPXWRISLMLGX-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273730;MM273730;N=CN=C(NO)NC(=N)N;XDZUDFZQSUVOFQ-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273731;MM273731;N=C(N)NC(=NC=O)NO;LGGPKZMYNZQOFD-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273732;MM273732;CNC(=NC=N)NC(N)=O;RJMGDLBUFMGCAL-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273733;MM273733;C#CCC=NOCC(N)=O;HWTXESHLFGJYBQ-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273734;MM273734;NC(=O)C=COC=CCO;SWKCTOBZOHYCJU-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273735;MM273735;C=NN=C(NO)NC(C)=N;INECKWPCHZUPBW-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273736;MM273736;N=C(N)C(=O)CC#CCF;USXFNRHHIVPRDP-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273737;MM273737;C=NN=C(NO)NC(C)=O;RBJBPOWNUJJPEC-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273738;MM273738;COC(=NC=O)NC(C)=O;PIAFJPWDQXWULG-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273739;MM273739;COC(=NC=N)NC(=N)N;DVYPIVNTABEUAU-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273740;MM273740;NN=CC(=CCO)CCO;PGEBVPVGJOQCID-UHFFFAOYSA-N;144.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273741;MM273741;C=CC=C(CN)OC(=C)C;WOEZJDIDNOLPJT-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273742;MM273742;C=CC=C(CO)OC(=C)C;FGHILSVDVQFFAV-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273743;MM273743;CC(=O)OC(=CC=O)CO;ICAIAXSIZVQDEA-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273744;MM273744;C=C(C)OC(=CC#N)NC;ZIDRMEQACGDJRJ-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273745;MM273745;C=NN=C(CO)OC(=C)C;HSIPBCCFJJKHEL-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273746;MM273746;C=NN=C(CC)OC(N)=O;WHWCFFXKSRSFRO-UHFFFAOYSA-N;143.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273747;MM273747;C#CCn1nc(N)c(N)n1;CSUGKKLTBGUAJB-UHFFFAOYSA-N;137.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273748;MM273748;CC(CO)C1NC1(C)C=O;SHLTYIBXWYEFIN-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273749;MM273749;CC(CO)C1NC1(C)C#N;RAOCGKUGPXXZHP-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273750;MM273750;C#CC1(C)NC1C(C)CO;XBRWANJVWOJRLN-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273751;MM273751;CNC(=O)C1NC1(C)CF;OKEXBLVIPSJLMV-UHFFFAOYSA-N;146.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273752;MM273752;CNC1(C#N)CC1C(N)=O;XAWRVICPNMRQFR-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273753;MM273753;NC(=O)OC(=NC=O)NO;SCHIGHMRRMUGDB-UHFFFAOYSA-N;147.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273754;MM273754;C=NN=C(OC)OC(C)=O;KKQSBSQPQHXLRF-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273755;MM273755;C#CC=C(CC)CC(=C)C;IFYLBFWPGKMHTQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273756;MM273756;C#CC=C(CN)CC(=C)C;OOUAQANRFKQZGX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273757;MM273757;C#CC=C(CC)CC(C)=O;WDSCCHPIVDHRMP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273758;MM273758;C#CC=C(CC)CC(=N)N;RNDZGERMSIFLBG-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273759;MM273759;C#CC=C(CO)CC(=N)N;BTVBXKDEJBMTNM-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273760;MM273760;C#CC=C(CF)CC(=N)N;DIKLMXAIYZINHM-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273761;MM273761;C#CC=C(CC(=C)C)OC;JDCVMAXFMXCRNS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273762;MM273762;C=C(F)C#CC(C#N)=NO;WKHSEUJUAVIUOU-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273763;MM273763;C#CC=C(CC)NC(C)=N;RAXXYGQGCJQELZ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273764;MM273764;C#CC=C(CO)NC(C)=N;UOLFZRHHMQIYKE-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273765;MM273765;C#CC=C(CN)NC(C)=O;VUSKMWHMEXKOKD-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273766;MM273766;C#CC=C(CF)NC(C)=O;FEQONDXLNPFYLL-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273767;MM273767;C#CC=C(CC)NC(=N)N;CSRVOJVKGIYBBJ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273768;MM273768;C#CC=C(CO)NC(=N)N;DQDPAFQFUJJPQN-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273769;MM273769;C#CC=C(CO)NC(N)=O;QENWQTVEYBHJGX-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273770;MM273770;C#CC=C(CF)NC(N)=O;MGXGAUOFAKPULW-UHFFFAOYSA-N;142.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273771;MM273771;C#CC=C(CC)OC(=C)C;YQMSXYBIVIVEBK-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273772;MM273772;C#CC=C(CN)OC(=C)C;OSDNEFNTKHIAAA-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273773;MM273773;C#CC=C(CO)OC(=C)C;XGMBDCIHSKYFGV-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273774;MM273774;C#CC=C(CC)OC(C)=O;YTHYRBLEQMBOFW-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273775;MM273775;C#CC=C(CO)OC(C)=O;YIKDKUICNKDNKI-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273776;MM273776;C#CC=C(CF)OC(C)=O;NXGFBIOWTNXXQF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273777;MM273777;C=CC(=CCC)CC(=C)C;DLNVNMFRJDAFIR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273778;MM273778;C=CC(=CCC)CC(=N)N;YZZIVUKZUSIJRH-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273779;MM273779;C=CC(=CCN)CC(=N)N;JCIMLEGMUWDKFQ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273780;MM273780;C=CC(=CCO)CC(=N)N;LECPCEJEQOJYJU-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273781;MM273781;N=C(N)CC(C=O)=CCF;RULAYEMUXBGUBU-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273782;MM273782;C=CC(=N)N(C)C(=O)NC;XBDFZAVCBCJHGO-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273783;MM273783;C=CC(=CCN)CC(N)=O;JILJUZUGXBBYPV-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273784;MM273784;CCC=C(C#N)CC(N)=O;RJVXNRKIKOUPEZ-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273785;MM273785;NC(=O)CC(C=O)=CCO;DTUQXCGGVXMTGP-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273786;MM273786;N#CC(=CCF)CC(N)=O;GNQIKIGYPCZGRO-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273787;MM273787;O=C(O)C(=CCO)CCF;RZSHCOXKGBAEJH-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273788;MM273788;C=C(F)CC(C=O)=CCO;MPTTTYFLCOSDDG-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273789;MM273789;C=C(F)CC(C#N)=CCO;DWRRUNJTQZDGDR-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273790;MM273790;C=CC(=COC)CC(C)=O;ZATSXFBKPUXGET-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273791;MM273791;COC=C(C#N)CC(N)=O;UVKIISXTZFDHEX-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273792;MM273792;O=C(O)C=C(CO)CCO;KPNAGSYUMRZGKB-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273793;MM273793;CNN=C(C=O)CC(=N)N;FFVZPTLAPQXIEF-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273794;MM273794;CNN=C(C#N)CC(=N)N;ASNAHZZFWPMHAZ-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273795;MM273795;CC(CO)C(C)NCC#N;KURKPMOTTQWLJK-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273796;MM273796;CNN=C(C=O)CC(N)=O;JVJLEBWXWDCGII-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273797;MM273797;CC=NNC(C)C(C)CO;RFFOCBFAFYMFDO-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273798;MM273798;CC=C(C)C(=O)NCCO;QMMVNFNLAFZQHK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273799;MM273799;CON=C(NN)N(C)C=O;ANVMQOCSTUXGJF-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273800;MM273800;C=CC(=CCC)NC(C)=N;NNXQGPVBCKBAKM-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273801;MM273801;C=CC(=CCN)NC(C)=N;CSJFNRMTQLAZBO-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273802;MM273802;CC(=N)NC(C#N)=CCO;LSAQMHKFDSJLLC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273803;MM273803;C=CC(=CCO)NC(C)=O;GAGDXTTTZDJGMN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273804;MM273804;CC(=O)NC(C#N)=CCO;FZMAEDMVCVBLHL-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273805;MM273805;C=CC(=CCN)NC(=N)N;FOOGFVAWNVQPRY-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273806;MM273806;CCC=C(C=O)NC(=N)N;ZAHOTYRIKSPUIY-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273807;MM273807;CCC=C(C#N)NC(=N)N;NEFXLWSZAZITQA-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273808;MM273808;NC(=O)NC(C=O)=CCF;QULOBCJYGKRPKF-UHFFFAOYSA-N;146.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273809;MM273809;CNC=C(C#N)NC(C)=N;HECUJWLMEPPKNM-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273810;MM273810;CNC=C(C#N)NC(C)=O;KDNSEOBKYKTSTL-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273811;MM273811;CNC=C(C#N)NC(N)=O;IOFLZJNGOBRCAK-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273812;MM273812;COC=C(C=O)N=C(C)N;DKILAOUSEICAST-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273813;MM273813;COC=C(C=O)NC(C)=O;VKZGGCCIIGQACE-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273814;MM273814;O=C(O)C(C=CCO)CF;HBOIODAFGUPZQK-UHFFFAOYSA-N;148.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273815;MM273815;C=CC(=NCC)NC(=N)N;MTRZTHJRKHRKIY-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273816;MM273816;C=CC(=NNC)NC(C)=N;GQGATPJXEYSLBW-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273817;MM273817;C=CC(=NNC)NC(C)=O;MMWITNZNPTXKDO-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273818;MM273818;CC(=O)C(O)C(C=O)=NO;KVWFSQLXFFIFKT-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273819;MM273819;C=CC(=NNC)NC(=N)N;UUXKMFHLHRHSKM-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273820;MM273820;C=CC(=NNC)NC(N)=O;CIPQKMOTZHRYRZ-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273821;MM273821;N#CC#Cc1ncc(O)o1;CITNLFBEXXJOSD-UHFFFAOYSA-N;134.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273822;MM273822;C=C(C)NC(C#N)=NOC;SOJJKAHLSCTWKT-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273823;MM273823;C=C(C)OC(C#N)=CCO;MFKWLYPJKIIBBY-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273824;MM273824;C=CC(=CCN)OC(C)=O;SCCOVOCWQSMWTH-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273825;MM273825;C=C(C)OC(C#N)=CNC;NAXHKGHHAWVBAG-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273826;MM273826;C=CC(=COC)OC(=C)C;LJJVOUJBLMIQDS-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273827;MM273827;COC=C(C#N)OC(C)=O;GAAOSDZOSWLGCB-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273828;MM273828;C=NNCC(CO)CCC;JBISOQSOIASYSX-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273829;MM273829;C=CC(=NOC)OC(=C)C;JVKSBZYAUNUUDL-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273830;MM273830;C=C(C)OC(C#N)=NOC;NILYASPOUVVGCY-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273831;MM273831;CON=C(C=O)OC(C)=O;HUMNXGZKWLGYRQ-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273832;MM273832;CON=C(C=O)OC(N)=O;ITYJWRYXECWZMH-UHFFFAOYSA-N;146.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273833;MM273833;CON=C(C#N)OC(N)=O;COJOKZNDGAMVIP-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273834;MM273834;C=CC=C(C#N)CC(=C)C;GEIIINDXUFTALL-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273835;MM273835;C=C(C)CC(C#N)=CC#N;DJTNGWIVYAOCCW-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273836;MM273836;CC(=O)CC(C=O)=CC#N;SDMXFMGUPVMHML-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273837;MM273837;C=CC=C(C=O)CC(N)=O;SRDXKMIKRPIPBH-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273838;MM273838;NC(=O)CC(C=O)=CC=O;KRODPNQKIJPTII-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273839;MM273839;C=CC=C(C#N)CC(=C)F;PKOUGWAPTXJDIJ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273840;MM273840;C=NN=C(C=O)CC(C)=O;XASHTXXBLDKFBD-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273841;MM273841;C=NN=C(C#N)CC(C)=O;ZZNBBHIWUBYVLJ-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273842;MM273842;C=CC(CC(=N)N)=NN=C;ZMNGRFSJAPHGRS-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273843;MM273843;C=NN=CC(C)(C)C(=O)O;WHQULFZZLZUZKB-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273844;MM273844;CCC(=NN(C)C)C(=O)O;CFMNJCGDGYJOKY-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273845;MM273845;C=CC(=CC#N)NC(C)=N;MCAYDLMINORDHE-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273846;MM273846;C=CC=C(C=O)NC(C)=N;ZPMCHIWKRMQCJF-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273847;MM273847;C=CC=C(C=C)NC(C)=O;CYSYDFKBFSIZRT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273848;MM273848;C=CC(=CC#N)NC(C)=O;ZFRRGVYEKQQMHF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273849;MM273849;C=CC=C(C#N)NC(C)=O;NHEJHWWSEWFVFT-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273850;MM273850;CC(=O)NC(C#N)=CC#N;ASBDEDSXRYUERJ-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273851;MM273851;C=CC=C(C=C)NC(=N)N;HGVWFEVILARDMW-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273852;MM273852;C=CC(=CC=O)NC(N)=O;UWDYBBBPCSIBQJ-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273853;MM273853;C=CC=C(C#N)NC(N)=O;AKTZIXJHYOSSBE-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273854;MM273854;C=CC(=NC=N)NC(C)=N;YUHIQZPAXKJQCI-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273855;MM273855;O=c1nnn(O)c(=NO)[nH]1;BXFYAPNDOKUNKN-UHFFFAOYSA-N;145.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273856;MM273856;COC(=CC=NN)C(N)=O;JOMSQOYLQSADCQ-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273857;MM273857;C=CC(=NC(C)=O)NC=O;BTSQAZSUUOISKP-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273858;MM273858;C#Cc1nnn(CC)c1O;HSWGRUDUEJTGQE-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273859;MM273859;Cc1noc(O)c1O;XODSYFGIBQWXHC-UHFFFAOYSA-N;115.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273860;MM273860;C=CC(=NN=C)NC(C)=N;SJALQBYVDCXVLO-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273861;MM273861;C=CC(CO)CCON=C;SZYITIYBRKFMCH-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273862;MM273862;NN=c1[nH]nc(CF)o1;BWRDYBPKVDZAMB-UHFFFAOYSA-N;132.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273863;MM273863;C=CC(=NN=C)NC(N)=O;KCTPAYASLHAHRE-UHFFFAOYSA-N;140.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273864;MM273864;C=CC=C(C=C)OC(=C)C;VATGRHRLAWNADM-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273865;MM273865;C=C(C)OC(C=O)=CC=O;DQUUKMYUWWDGAN-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273866;MM273866;C=CC=C(C#N)OC(C)=O;IQWZATWHQKVZEL-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273867;MM273867;C=NN=C(C=O)OC(=C)C;ZZSUULRXENKZKY-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273868;MM273868;C=NN=C(C#N)OC(=C)C;PVYRGZQFTZBVAC-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273869;MM273869;C=NN=C(C#N)OC(C)=O;GUTCTMCLZAIPMY-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273870;MM273870;C#CC=C(C=C)CC(=C)C;HBQPFAOIFOUQPE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273871;MM273871;C#CC=C(C#N)CC(=C)C;HGTYLQHKTBNGJS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273872;MM273872;C#CC=C(C=O)CC(=N)N;DDPPGVDJZAPYFW-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273873;MM273873;C#CC=C(C#N)CC(=N)N;VGBNDEWMUYULOM-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273874;MM273874;C#CC=C(C=O)CC(N)=O;CIECDGKMYJPNMG-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273875;MM273875;NN=CCC(=O)O;VWHMLWYVYDEAHE-UHFFFAOYSA-N;102.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273876;MM273876;C#CC=C(C#N)CC(=O)O;QMAYLJZKZDVMME-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273877;MM273877;C#CC=C(C=C)CC(=C)F;BTCIMHMKTUKEAW-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273878;MM273878;C#CC=C(C#N)CC(=C)F;XXIIXNBLZOSZCR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273879;MM273879;C#CC=C(C=C)NC(C)=N;FBQBPYGYCLINQP-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273880;MM273880;C#CC=C(C=C)NC(C)=O;RUKUQNDEMXHJEM-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273881;MM273881;C#CC=C(C=C)NC(=N)N;WEAUJGFHIKPITC-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273882;MM273882;C#CC=C(C=C)NC(N)=O;IOYGNQPPCNVCAK-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273883;MM273883;C#CC=C(C=C)OC(=C)C;FGTBMARFIWQDLC-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273884;MM273884;C#CC=C(C=O)OC(=C)C;KFQSRVODWGMYOR-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273885;MM273885;C#CC=C(C#N)OC(=C)C;OKCVCHSUQPJEET-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273886;MM273886;C#CC(=CCF)CC(=N)N;YKVWXDCYUJSZBY-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273887;MM273887;C#CC(=COC)CC(C)=O;PKPHKSNOWUKBST-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273888;MM273888;C=Nn1ncc(F)c1O;HDESASIVQLYTBW-UHFFFAOYSA-N;129.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273889;MM273889;CC=NNCC(CC)CO;HDVMLVXWPIFQAV-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273890;MM273890;CCN=CN(O)CC(=O)O;YDKGBVCLBQNSTR-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273891;MM273891;N#CCN1CCC(CO)C1;ZQGQJJHBWRMSAU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273892;MM273892;CC=NN1CCC(CO)C1;QHGCSPXCGILMQF-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273893;MM273893;C#CC(=CCN)NC(C)=N;BINJHPZTTIYDJI-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273894;MM273894;C#CC(=CCO)NC(C)=N;ZIDVDUSRHBBNNM-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273895;MM273895;C#CC(=CCC)NC(C)=O;VPMXEVVWWXCHHP-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273896;MM273896;C#CC(=CCN)NC(C)=O;GGIOKRFQQRRKRZ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273897;MM273897;C#CC(=CCO)NC(C)=O;GDLYZJUUAKMUKS-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273898;MM273898;C#CC(=CCN)NC(=N)N;BAASKNBGRALILG-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273899;MM273899;C#CC(=CCF)NC(=N)N;RMFRFASOOFWREF-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273900;MM273900;C#CC(=CCC)NC(N)=O;JXVQUVUQOIRJBO-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273901;MM273901;C#CC(=CCN)NC(N)=O;NGYWLECPALQLHH-UHFFFAOYSA-N;139.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273902;MM273902;C#CC(=NCC)NC(C)=N;YTTGIUNSIXHQGW-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273903;MM273903;C#CC(=NCC)NC(C)=O;YWVQCCPICUUZEK-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273904;MM273904;C#CC(=NCC)NC(=N)N;HRCHBEXJAFXABU-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273905;MM273905;C#CC(=NNC)NC(C)=N;KRFGBWABLHJCJK-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273906;MM273906;C#CC(=NNC)NC(C)=O;OKQFLRQAOGLAKV-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273907;MM273907;C#CC(=NNC)NC(N)=O;GXHMDOBOUPBVTD-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273908;MM273908;C#CC(=NOC)NC(=C)C;AKBSDSPYBSLVCD-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273909;MM273909;C#CC(=CCN)OC(=C)C;CVDZANCHGRSHNW-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273910;MM273910;C#CC(=CCO)OC(=C)C;RIKPRTAHOLIRKV-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273911;MM273911;C#CC(=CCC)OC(C)=O;YDLUETVUNKZFOJ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273912;MM273912;C#CC(=COC)OC(=C)C;HWTDHERVYMXPIX-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273913;MM273913;C#CC(=COC)OC(C)=O;DTVLGANLGSIPBV-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273914;MM273914;C#CC(=NOC)OC(=C)C;OOQHSKFWCYAPEX-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273915;MM273915;C#CC(=NOC)OC(C)=O;HRPNJFSWSLLSOY-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273916;MM273916;C#CC(=CC=C)CC(=C)C;ZXHIEHZVVVAPFN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273917;MM273917;C#CC(=CC#N)CC(=C)C;BEEMARDSLGMDJL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273918;MM273918;C#CC(=CC=C)CC(C)=O;NJAXSZDOAPYXOD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273919;MM273919;C#CC(=CC=O)CC(=N)N;NQDJRHNYTQEQGL-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273920;MM273920;C#CC(=CC=C)CC(=O)O;GQKQSTVEQPZJPE-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273921;MM273921;C#CC(=CC#N)CC(=O)O;ZHIUFGFNLCDTJQ-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273922;MM273922;C#CC(=CC=C)CC(=C)F;FTYDKMCHXGKHSC-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273923;MM273923;C#CC(=CC#N)CC(=C)F;JLKGUQQXKCJPAY-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273924;MM273924;C#CC(CC(C)=O)=NN=C;HMLBGVZNGWBUCW-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273925;MM273925;C#CC(=CC=C)NC(C)=N;IHEIJGNMUNEMSE-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273926;MM273926;C#CC(=CC=O)NC(C)=O;PDRZSBNTAWEZRW-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273927;MM273927;C#CC(=CC#N)NC(C)=O;MENCDGBJSGIIFG-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273928;MM273928;C#CC(=CC=C)NC(=N)N;KIALBVQZXDSARV-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273929;MM273929;C#CC(=CC=C)NC(N)=O;XFDYKOOFYNVXKH-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273930;MM273930;C#CC(=NC=N)NC(C)=O;SSXRWCHPGAMZCP-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273931;MM273931;C#CC(=NC(N)=O)NC=O;UWOGLPZEEYZUEU-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273932;MM273932;C#CC(=NN=C)NC(C)=O;IRSQYZLAKNDIPL-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273933;MM273933;C#CC(=CC=C)OC(=C)C;LVEBDNNIUQNNJL-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273934;MM273934;C#CC(=CC=O)OC(=C)C;KTLQTPSKHGQYFW-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273935;MM273935;C#CC(=CC#N)OC(=C)C;QWCBIHYLGLSIOJ-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273936;MM273936;C#CC(=CC#N)OC(C)=O;CYTSISPCULSOLG-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273937;MM273937;C#CC(=NN=C)OC(=C)C;VHWFXJCQPIFAQB-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273938;MM273938;C#CC(=NN=C)OC(C)=O;UJMBPLDPXSUVOV-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273939;MM273939;C#CC(=NN=C)OC(N)=O;LAQPJMDHQCWSCG-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273940;MM273940;C#CC=C(C#C)CC(=C)C;HKCPDWHFNADUEW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273941;MM273941;C#CC=C(C#C)CC(C)=O;OVARJJWQUDACAR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273942;MM273942;C#CC=C(C#C)CC(N)=O;WPKYURZUBNEIPI-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273943;MM273943;C#CC=C(C#C)CC(=C)F;VEIYCDLVLGUWKB-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273944;MM273944;C#CC=C(C#C)NC(C)=N;ADFDQDQTTKFWDA-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273945;MM273945;C#CC=C(C#C)NC(C)=O;QUGGASKELKISBT-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273946;MM273946;C#CC=C(C#C)OC(=C)C;XHSUNJODXRIBMD-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273947;MM273947;C#CC=C(C#C)OC(C)=O;HJCNBHDEEJGVTC-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273948;MM273948;CC(C)=CC(CN)CCF;IZMAHDKSYSOOMQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273949;MM273949;CC(C)=CC(CF)CCN;JSVBRGIFLRMKLP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273950;MM273950;CC(C)=CC(CF)CCF;QTTKCOHBKKGLST-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273951;MM273951;CC(F)=CC(CN)CCO;GBERMHGSCJFUDH-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273952;MM273952;CC(F)=CC(CN)CCF;FVTYBKALNLLJLG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273953;MM273953;CC(F)=CC(CO)CCN;UOAPWMPRBZMUOF-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273954;MM273954;CC(F)=CC(CO)CCF;TYYRACSAPPCGHM-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273955;MM273955;CCCC(C=C(C)F)CF;GXHXXUCNTWKBGL-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273956;MM273956;CC(F)=CC(CF)CCN;PXCXGMIBOWBWEZ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273957;MM273957;CC(F)=CC(CF)CCO;SEWCIEOHWWKMHN-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273958;MM273958;CC(F)=CC(CF)CCF;MTMGHNSRCGALNR-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273959;MM273959;CCCC(C=C(F)F)CN;GNIITXCTUIHMSG-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273960;MM273960;NCCC(C=C(F)F)CN;BOCYENBLMAXAFE-UHFFFAOYSA-N;150.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273961;MM273961;OCCC(C=C(F)F)CO;KEXJCIWXUXKXFU-UHFFFAOYSA-N;152.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273962;MM273962;CCC(C=C(C)C)CNC;CKJPXBFMSQZUBA-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273963;MM273963;CNCC(C=C(C)C)CF;MSEIGAUNCUHSDS-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273964;MM273964;CCC(C=C(C)F)CNC;CYRZGVGNCOEUSV-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273965;MM273965;CNCC(C=C(C)F)CF;WNXFSRGJGVXTQY-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273966;MM273966;CCCC(C=C(C)C)NC;ZOQJHGZCFTXOAA-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273967;MM273967;CCCC(C=C(C)F)NC;URTZCOCTOUFGEH-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273968;MM273968;CCCC(C=C(F)F)NC;CETJXJQDKGUTAZ-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273969;MM273969;CNC(C=C(F)F)CCN;QDJLOYDQGYJQHA-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273970;MM273970;CNCC(C=C(F)F)NC;OJVGZWWETNZIBE-UHFFFAOYSA-N;150.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273971;MM273971;COC(C=C(F)F)CCF;ZEUPSSWARGILGH-UHFFFAOYSA-N;154.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273972;MM273972;CCNC(C=C(C)C)CC;XZRQVDQEEHUWCM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273973;MM273973;CCOC(C=C(C)F)CO;CTTPYNAKTDHDCZ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273974;MM273974;CCOC(C=C(C)F)OC;WIIICOMGRZIZAV-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273975;MM273975;C=NNC1C=CC(CO)C1;SOBZGZRFWNULTP-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273976;MM273976;CC(C)=CC(CF)CC=O;SRFLTQUVCMBUMA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273977;MM273977;C=CCC(C=C(C)F)CF;AIDQDFUYTAZFRE-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273978;MM273978;CC(F)=CC(CF)CC=O;ALIBGAJOKFUNFW-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273979;MM273979;C=CCC(C=C(F)F)CN;LVZCWWWDDJPXMQ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273980;MM273980;O=CCC(C=C(F)F)CF;MMSSQZPZDKLEAV-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273981;MM273981;C=CCC(C=C(C)C)NC;AMZVIARAHMPMTI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273982;MM273982;CNC(C=C(C)C)CC=O;AXBMTYMQIQXJHV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273983;MM273983;C=CCC(C=C(C)F)NC;FARNZMIUTRXNIB-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273984;MM273984;C=CCC(C=C(F)F)NC;WCVWPQLTKXWYDQ-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273985;MM273985;COC(C=C(C)C)CC=O;FOSCRWSJRXGAAT-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273986;MM273986;COC(C=C(C)C)CC#N;CJHCLIAOWMCKEF-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273987;MM273987;COC(C=C(C)F)CC=O;IQOCSSFDPOJHGZ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273988;MM273988;COC(C=C(C)F)CC#N;GPPXQXVSZFVNDN-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273989;MM273989;COC(C=C(F)F)CC=O;UIIAWBNZVATFMS-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273990;MM273990;CC(F)=CC(CF)NC=O;BKOJQUSQVPPBSZ-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273991;MM273991;C=NNC(C=C(C)F)CN;DRPIXISRRQVPNB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273992;MM273992;C=CC12CC(CO)CN1C2;FVXSBKLMDHHXHH-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273993;MM273993;N#CC12CC(CO)CN1C2;AMONDDWBZNYVIH-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273994;MM273994;CC(F)=CC(CN)OC=O;KSYROCWHWSRVTD-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273995;MM273995;C=COC(C=C(C)F)CO;OJGQFWCUKVQXEW-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273996;MM273996;NCC(C=C(F)F)OC=O;QZZZVKFYJGYAHJ-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273997;MM273997;C=NOC(C=C(F)F)CN;KXALUXPIIXOGSJ-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273998;MM273998;C=COC(C=C(C)C)OC;BXYRQNGYLGVYGO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM273999;MM273999;C=COC(C=C(C)F)OC;RMEOBJTWCYGQRI-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274000;MM274000;COC(C=C(C)F)OC=O;JUMYCRCCFRXXRE-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274001;MM274001;C=NOC(C=C(C)F)OC;IWOOGXKMLXQCAL-UHFFFAOYSA-N;147.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274002;MM274002;C#CC12CC(CO)CN1C2;BLGXXCXVGSULTM-UHFFFAOYSA-N;137.18;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274003;MM274003;C#CCC(C=C(C)C)CC;OJHSDJDKCLVHOO-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274004;MM274004;C#CCC(C=C(C)F)CN;HAQATDWFUGRXRE-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274005;MM274005;C#CCC(C=C(C)F)CO;VOZADVDYQQSXCB-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274006;MM274006;C#CCC(C=C(C)C)NC;CVMRENGYRNCGHC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274007;MM274007;C#CCC(C=C(F)F)NC;AXAPMJLKXATPLT-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274008;MM274008;CCCC(C=O)C=C(C)C;WEHBWHDWVDAKIO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274009;MM274009;CCCC(C#N)C=C(C)C;VPMQCNCBWIXRGH-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274010;MM274010;CC(C)=CC(C=O)CCF;DUXLPPKHNPNDGC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274011;MM274011;C=CC(C=C(C)F)CCN;MDJRWKXARVKSER-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274012;MM274012;C=NN(CC)C1CC(O)C1;QEAGHDAKZIRLGN-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274013;MM274013;C=CC(C=C(C)F)CCF;ZPXZZGHMHFBVCA-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274014;MM274014;CCCC(C=O)C=C(C)F;FFCQQIFQAYTJRR-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274015;MM274015;CC(F)=CC(C=O)CCF;IGTRWVGEXWNHOD-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274016;MM274016;C=CC(C=C(F)F)CCC;IAMFXPWSMUNYFH-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274017;MM274017;C=CC(C=C(F)F)CCF;MNPDPJZDXNJFJE-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274018;MM274018;CCCC(C=O)C=C(F)F;AMQLYEOPCXMNJQ-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274019;MM274019;CCCC(C#N)C=C(F)F;WRANKGXLXUYWOL-UHFFFAOYSA-N;145.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274020;MM274020;O=CC(C=C(F)F)CCF;FXOHDZPVJXDSLU-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274021;MM274021;C=CC(C=C(C)C)CNC;RVMZEQGSGCXBOV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274022;MM274022;CNCC(C=O)C=C(C)C;ARUPYLPOLBBGFR-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274023;MM274023;C=CC(C=C(C)F)CNC;DTWMLBUFAPEEKU-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274024;MM274024;C=CC(C=C(F)F)CNC;BNQKOJFHZUEXJD-UHFFFAOYSA-N;147.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274025;MM274025;CNCC(C=O)C=C(F)F;VWNLMEMFBUZHIY-UHFFFAOYSA-N;149.14;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274026;MM274026;COCC(C=O)C=C(C)C;JUMQKMIDNHQVQU-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274027;MM274027;COCC(C#N)C=C(C)F;IFDWHNYVZXOYBD-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274028;MM274028;C=CC(C=C(C)C)NCC;QQYFMCUYCRZVNK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274029;MM274029;CCOC(C#N)C=C(C)C;TYMGHVWPNGIYFP-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274030;MM274030;C=CC(C=C(F)F)OCC;XYUJPHNALWDRQA-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274031;MM274031;CC(F)=CN(C=O)CCN;RDBIKFCTCJOJIE-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274032;MM274032;CC(F)=CN(C=O)CCO;XHJGXRVKSFDOBX-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274033;MM274033;CC(F)=CN(C=O)CCF;KCCUMBKRDPRQFN-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274034;MM274034;O=CN(C=C(F)F)CCO;UTJSEQDHDUCXRB-UHFFFAOYSA-N;151.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274035;MM274035;CCON(C=N)C=C(C)C;QRCQLANTHJCJNE-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274036;MM274036;CC(C)=NN(C=N)CCF;ZOBNZGHXLGDEMV-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274037;MM274037;CC(C)=NN(C=O)CCN;ISZRWNQQMXKSMC-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274038;MM274038;C=CCC(C=C)C=C(C)C;DFBLOKXJEFVTCS-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274039;MM274039;C=CC(C=C(C)C)CC=O;ZVYKFOOBUNAXDX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274040;MM274040;C=CC(C=C(C)C)CC#N;OCHQDJSCOUUGJB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274041;MM274041;C=CCC(C#N)C=C(C)C;VNKMHLYUWYJMSE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274042;MM274042;CC(C)=CC(C#N)CC#N;KYRXSXFUWJFUQI-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274043;MM274043;C=CC(C=C(C)F)CC=O;VXQGXLVFFYTVCT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274044;MM274044;C=CCC(C=O)C=C(C)F;FKGDQGFSUKETMB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274045;MM274045;CC(F)=CC(C#N)CC#N;NCVASTMBZAHXCQ-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274046;MM274046;C=CCC(C=C)C=C(F)F;UBAMSIHFUNRKGT-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274047;MM274047;C=CC(C=C(F)F)CC=O;HNYZRPKTEPWMPA-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274048;MM274048;C=CCC(C=O)C=C(F)F;LSTOWCFFDIXNKL-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274049;MM274049;CC(C)=CC(C#N)NC=N;YTPDGTPNECWMPP-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274050;MM274050;CC(C)=CC(C#N)NC=O;OHNKMIFVKBRXST-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274051;MM274051;CC(F)=CC(C=O)NC=O;NOIIRRPRUJRGQE-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274052;MM274052;CC(F)=CC(C#N)NC=O;SBFVVOCCTCGLDP-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274053;MM274053;N#CC(C=C(F)F)NC=N;GFYCTUWTZBUQFW-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274054;MM274054;N#CC(C=C(F)F)NC=O;VLZPOHDBMUSSLF-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274055;MM274055;C#CC1C(C(C)CO)N1C;WMRHUAYIUREXID-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274056;MM274056;CC(F)=CC(C=O)OC=O;YCLSEHZREPUZSM-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274057;MM274057;CC(CO)C1CN1CC#N;GWPYSHVCVGJYFU-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274058;MM274058;C=CCN(C=N)C=C(C)C;SDYRUYLFNBSICH-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274059;MM274059;C=CCN(C=N)C=C(C)F;KXGVDUBMAHOPKG-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274060;MM274060;N#CCN(C=N)C=C(F)F;LZFCUPAEAHZXFF-UHFFFAOYSA-N;145.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274061;MM274061;O=CCN(C=O)C=C(F)F;WUEUOSZJFZMSGF-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274062;MM274062;N#CCN(C=O)C=C(F)F;QOUIMEIJMWQFAF-UHFFFAOYSA-N;146.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274063;MM274063;CC(F)=CN(C=N)NC=N;IEEWECVSIIJACQ-UHFFFAOYSA-N;144.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274064;MM274064;CC(F)=CN(C=O)OC=O;YNRRCYBHKJXOOE-UHFFFAOYSA-N;147.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274065;MM274065;C=CCN(C=N)N=C(C)C;GAMILJUFOKYAFC-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274066;MM274066;C#CCN1CC1C(C)CO;VAPRUYCYJADLKM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274067;MM274067;C=CCN(C=O)N=C(C)C;MCYVVGYJSRJXNT-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274068;MM274068;CC=NN1CC1C(C)CO;ILRDXWVNVNLYIJ-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274069;MM274069;C#CCC(C=C)C=C(C)C;MTEGIJQJHRWHLR-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274070;MM274070;C#CCC(C=O)C=C(C)C;JGTZOLWCRDRGCT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274071;MM274071;C#CCC(C#N)C=C(C)C;GUBVKSLBECUFKF-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274072;MM274072;C#CCC(C=O)C=C(C)F;FRGFVRBVPJIBLD-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274073;MM274073;C#CCC(C#N)C=C(C)F;SABNOQBMUQOYJK-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274074;MM274074;C#CCC(C=C)C=C(F)F;BUAJOMMQVFRVJQ-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274075;MM274075;C#CCC(C=O)C=C(F)F;OGBDTONZIZJWQW-UHFFFAOYSA-N;144.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274076;MM274076;C#CCN(C=O)C=C(C)F;BUMIEKRHYGSAEU-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274077;MM274077;C#CCN(C=N)N=C(C)C;WXGFRYKTLWMMDP-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274078;MM274078;C#CC(C=C(C)C)CCF;DIAAEJNTWVZMMW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274079;MM274079;C#CC(C=C(C)F)CCF;UUJPDTIMLZTFPE-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274080;MM274080;C#CC(C=C(F)F)CCC;DTOHRJUYOZRODW-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274081;MM274081;C#CC(C=C(F)F)CCF;CLIJQSLUZATQEJ-UHFFFAOYSA-N;148.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274082;MM274082;C#CC(C=C(F)F)CNC;JMACUGPWRZUCFZ-UHFFFAOYSA-N;145.15;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274083;MM274083;C#CC(C=C(C)F)OCC;SOGCMEDSOJTWAE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274084;MM274084;C#CC(C=C(C)C)CC=C;ITQGBZGWVAQWQI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274085;MM274085;C#CC(C=C(C)C)CC=O;MKCJUROMIKZQIY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274086;MM274086;C#CC(C=C(C)F)CC=O;RRFOKNJPOYRODV-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274087;MM274087;C#CC(C=C(F)F)CC=C;GLRHZMHYEYGVFT-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274088;MM274088;C#CC(C=C(F)F)CC=O;HTYJMFNKVZEETJ-UHFFFAOYSA-N;144.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274089;MM274089;CC#CC1NC1C(C)CO;PZQLDZMLJPXJRO-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274090;MM274090;C#CCC(C#C)C=C(C)C;MWGSRWRAGTXOLI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274091;MM274091;C#CCC(C#C)C=C(C)F;VERGPXHVUGWBMF-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274092;MM274092;CC=CC(C=C(F)F)CN;HPWBMCVJVJQIPQ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274093;MM274093;NCC(C=CF)C=C(F)F;IIODVLFZRFIAPX-UHFFFAOYSA-N;151.13;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274094;MM274094;CC(C)=CC(C=NO)CN;CWGIHAKZHRGNDZ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274095;MM274095;O=CN1CCC(CO)CN1;FTIZBVTVQQXJRE-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274096;MM274096;CC=CC(C=C(C)C)NC;XKRJYSPUROSVPC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274097;MM274097;CNC(C=CF)C=C(C)C;KIAIGYBOZYYQND-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274098;MM274098;CC=CC(C=C(C)F)NC;NLWFKZORTXSFBX-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274099;MM274099;CC=CC(C=C(C)F)OC;PWALRZWNBILRLE-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274100;MM274100;COC(C=NN)C=C(C)F;CAIXJCSLWMZTCG-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274101;MM274101;CN=CN(C=C(C)C)NC;DJAPOQYABGITCY-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274102;MM274102;C=CC1C2CC(CO)CN12;YEWXZABSMKOHDL-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274103;MM274103;N#CC1C2CC(CO)CN12;MVAAHKKLUWVXOW-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274104;MM274104;C=NNCC(C)CO;CSFHPIXQGHYIMG-UHFFFAOYSA-N;116.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274105;MM274105;C=CC(C=CC)C=C(C)C;PAXOLXOBPYGADY-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274106;MM274106;CC=CC(C#N)C=C(C)C;XXLRNHWTXNQVHF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274107;MM274107;CC(C)=CC(C=O)C=CF;KKDMGVKVRMNPSR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274108;MM274108;CC=CC(C=O)C=C(C)F;PBAYYTNNWUNLBG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274109;MM274109;CC(F)=CC(C=O)C=CF;PLYFPIICKQMEGH-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274110;MM274110;C=CC(C=CC)C=C(F)F;OOFVZOJRKLMRLN-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274111;MM274111;C=CC(C=CF)C=C(F)F;KNGCYQSPJBSUHR-UHFFFAOYSA-N;148.13;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274112;MM274112;C=CC(C=NN)C=C(C)F;UJBCWEXSIMULOO-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274113;MM274113;CC=CN(C=N)C=C(C)C;WGHNLVOQIKIOLZ-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274114;MM274114;CC(C)=CN(C=O)C=CF;BSENAEAAWRIZSN-UHFFFAOYSA-N;143.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274115;MM274115;CN=CN(C=N)C=C(C)C;FXTPJDBGMDGKDC-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274116;MM274116;CC(O)CC(=O)N(C)N;DJBZHRJTMUPYQV-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274117;MM274117;C=CN(C=NO)C=C(C)F;WUYZXJYGDIBJHU-UHFFFAOYSA-N;144.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274118;MM274118;CC(CO)CN(N)C=O;JCNJQVZWKVGPDA-UHFFFAOYSA-N;132.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274119;MM274119;C=NN(C)CC(C)CO;JKIYEAUXVAELAC-UHFFFAOYSA-N;130.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274120;MM274120;N=CN(C=NO)C=C(F)F;BTLKTBAVFWMANF-UHFFFAOYSA-N;149.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274121;MM274121;C=NN(C=NC)C=C(C)C;ZGLIETAWHHAVGY-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274122;MM274122;CNC(=O)N(C)C(C)=N;XMBQWGXZQCULIU-UHFFFAOYSA-N;129.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274123;MM274123;CC=NN(C=N)C=C(C)F;VTPPUYQTWOIGRY-UHFFFAOYSA-N;143.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274124;MM274124;CC=NN(C=N)C=C(F)F;SSKFQVHTUURMPU-UHFFFAOYSA-N;147.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274125;MM274125;CC(C)=NN(C=O)C=CF;HZQXDCJJUKJRQP-UHFFFAOYSA-N;144.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274126;MM274126;C=CN(C=NO)N=C(C)C;RZHPPIOHSSHKDN-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274127;MM274127;C#CC(C=CF)C=C(C)C;IHPBBLBFNMNASU-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274128;MM274128;C#CC(C=CC)C=C(F)F;DAUDHYKASFPGRI-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274129;MM274129;C#CC(C=CF)C=C(F)F;QTRICBADHSYXIS-UHFFFAOYSA-N;146.11;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274130;MM274130;CC#CC(C=C(C)C)CC;ZKVOAHSQKJGINI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274131;MM274131;CC#CC(C=C(C)C)CN;HJRZJULGJHBFEI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274132;MM274132;CC#CC(C=C(C)F)CN;LHIMYUDPEZUOSW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274133;MM274133;CC#CC(C=C(F)F)CC;DAALWDAYRQRZEH-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274134;MM274134;CC#CC(C=C(F)F)CN;FXLRAXMGONREJV-UHFFFAOYSA-N;145.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274135;MM274135;C=CC(C#CC)C=C(C)C;KJVABPJCALZWRT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274136;MM274136;CC#CC(C=O)C=C(C)C;SQFJKYAOCDPHGJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274137;MM274137;CC#CC(C#N)C=C(C)C;YLJFSVCXCHBLIW-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274138;MM274138;C=CC(C#CC)C=C(C)F;NIVRNPLRCJNRJG-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274139;MM274139;CC#CC(C#N)C=C(C)F;WBQAGJYZZLFVNK-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274140;MM274140;C#CC(C#CC)C=C(C)C;RPPRZLFVUGWNHR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274141;MM274141;CC(C)=CC(=CF)CCN;LGOBKACTBWYHBG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274142;MM274142;CC(F)=CC(=CF)CCN;GRJMAIUFQZJSSJ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274143;MM274143;CC=C(C=C(C)C)CNC;FNYZWCCIJJAPIX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274144;MM274144;CC=C(C=C(C)F)CNC;WQEHWTXYPWVOHT-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274145;MM274145;CNCC(C=C(C)F)=CF;UIUDSSAVQFALEG-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274146;MM274146;CC=C(C=C(F)F)CNC;FJIAVFBYBBXICC-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274147;MM274147;CNCC(C=C(F)F)=CF;QAALRSQDNPTGPW-UHFFFAOYSA-N;151.13;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274148;MM274148;CC(C)=CC(CCF)=NN;NRLRPHAWKUNASM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274149;MM274149;CC(F)=CC(CCO)=NO;MZYCQAVXRGEUQF-UHFFFAOYSA-N;147.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274150;MM274150;CCCC(C=C(F)F)=NN;XIMMKNQWHGYSDJ-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274151;MM274151;CC=CC(=CF)C(N)=O;MJWQQQOGEQHNCM-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274152;MM274152;CNCC(=CC(=N)N)NO;STGLFMKPIJWZKY-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274153;MM274153;COCC(C=C(C)F)=NN;ZJQXUHKWJILCME-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274154;MM274154;CCN=C(C=C(N)N)NC;SJFZGGNODYKLQS-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274155;MM274155;CCN=C(C=C(N)N)NN;LVLSMBXWALKJMQ-UHFFFAOYSA-N;143.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274156;MM274156;Nc1cc(N)n(N)c1O;YCZZESUOGFUAHC-UHFFFAOYSA-N;128.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274157;MM274157;CNN=C(C=C(N)N)NC;UVSAADDXPDPOKF-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274158;MM274158;Cc1c(N)cn(O)c1N;BOFPBODSTHWSSV-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274159;MM274159;CCn1nc(N)c(N)n1;ZDHTWIMNSQBZTD-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274160;MM274160;CNC(C=C(C)F)=NOC;SODWAAJAPOZHKO-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274161;MM274161;CC1C(C=NN)C1CO;BWJIASKKQQEZHJ-UHFFFAOYSA-N;128.18;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274162;MM274162;CC(=O)N(N)CC(C)CO;UASADIRTLWCVFA-UHFFFAOYSA-N;146.19;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274163;MM274163;C#CC(=C)CN(N)C(N)=O;LJVOAWQWBKZAKR-UHFFFAOYSA-N;139.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274164;MM274164;CCOC(C=C(N)N)=NO;OYBWIVBWROOVGW-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274165;MM274165;CC=C(C=C(C)C)CC#N;GNTWQFOGNSLYSA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274166;MM274166;CC(C)=CC(=CF)CC=O;JDFMSBLTVURJLR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274167;MM274167;C=CCC(C=C(C)F)=CC;OFVKRUQMFVJVPL-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274168;MM274168;CC=C(C=C(C)F)CC=O;NWKZEKBMHAIUFR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274169;MM274169;CC=C(C=C(C)F)CC#N;RWIVPCPNNQXHPR-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274170;MM274170;CC(F)=CC(=CF)CC=O;CCNMXURQPTZATN-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274171;MM274171;CC=C(C=C(F)F)CC=O;BZRJUHKNRRWJCA-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274172;MM274172;C=CCC(C=C(F)F)=CF;ATNALGOBRRXVME-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274173;MM274173;O=CCC(C=C(F)F)=CF;DOVDYLHZPSKAIE-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274174;MM274174;C=CCC(C=C(C)C)=NN;PHLGZFPVBAUARV-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274175;MM274175;C=C(F)CNC(=O)C=CC;XBLCLRQRIWEKOB-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274176;MM274176;C=CCC(C=C(F)F)=NN;FAUHHTJQDGQUDV-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274177;MM274177;CC(C)=CC(=NO)NC=O;ATDHICYIZQFLMF-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274178;MM274178;CC(N)=CC(=NN)NC=N;UBYDRPVWZKRMRV-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274179;MM274179;C=CNC(C=C(C)F)=NO;LJIBZIBHZFAEGD-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274180;MM274180;N=CNC(C=C(N)N)=NN;FXVBACSJQORVNP-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274181;MM274181;CN=C(C=C(F)F)NC=O;DTMXLRWEQZPLRM-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274182;MM274182;CC(CO)CN(C)CC#N;SWUYFUQFTQINIW-UHFFFAOYSA-N;142.2;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274183;MM274183;CC(C=C(F)C=NN)CO;FOUDEOLGEJWFKI-UHFFFAOYSA-N;146.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274184;MM274184;CC(O)CC(=O)N(N)C=O;CMARDUGGHAQYFX-UHFFFAOYSA-N;146.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274185;MM274185;COC(=CC(N)=O)CC#N;MZVZUYJYUPZNID-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274186;MM274186;CC#CC#CC=CC(N)=O;QPDLTQJQSMASCJ-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274187;MM274187;C=COC(C=C(N)N)=NO;VLJIKFNBTNJHBQ-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274188;MM274188;C=CC(CF)N(N)C(N)=O;JXKLHKFUNVNDMH-UHFFFAOYSA-N;147.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274189;MM274189;C#CCC(C=C(C)C)=CC;JIGLVVSHBHIVBI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274190;MM274190;C#CCC(C=C(C)F)=CC;FZDWSJALRSRYTJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274191;MM274191;C=CCC(=N)N(N)C(N)=O;OOXXSUWRGNQSPX-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274192;MM274192;CC=CC(C=C(C)C)=CC;YSIVXWIWCXQGIG-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274193;MM274193;CC=CC(C=C(F)F)=CC;BUSJGZUYPUAHKT-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274194;MM274194;NC(N)=CC(C=CF)=NO;LBIOCAAQPPQXMT-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274195;MM274195;Nc1nn(CCO)oc1=O;KLJHKYMTLMYXLR-UHFFFAOYSA-N;145.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274196;MM274196;CC(CO)CNC(=N)C#N;ANWWCKOWBTZJAZ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274197;MM274197;CNN(C=O)CC(C)CO;KVKRGCMVJPSLFL-UHFFFAOYSA-N;146.19;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274198;MM274198;O=c1ncc(O)nc(=O)[nH]1;MPOQQELSEQGLTK-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274199;MM274199;N=CNC(N=C(N)N)=NN;GOPFPGBKSARVLT-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274200;MM274200;CC#CC(C=C(C)C)=CF;RZZZPHVMKUUBPA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274201;MM274201;CC#CC(C=C(F)F)=CC;SKJREQCUPINJJG-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274202;MM274202;CC#CC(C=C(C)C)=NN;ISPAEDPVWKPPPG-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274203;MM274203;CC(C)=CC(=CCO)CN;BFXQPNATGHHICY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274204;MM274204;CC(F)=CC(=CCN)CN;CZKGYBVAGZMKSB-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274205;MM274205;CC(F)=CC(=CCN)CO;FVKDBJCXDKYURA-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274206;MM274206;CC(F)=CC(=CCO)CO;FSDRYEOQHCZAQJ-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274207;MM274207;NCC=C(C=C(F)F)CN;OGBSRYBOIXQXKU-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274208;MM274208;OCC=C(C=C(F)F)CO;NPIJZDWMRAVBNO-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274209;MM274209;COC=C(C=C(C)F)CN;OTHYMNZBEFWNCX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274210;MM274210;COC(C=C(C)C)=CCO;RAISVACYZZUNLK-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274211;MM274211;COC(C=C(C)F)=CCO;BVIVAXLYIJNVQQ-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274212;MM274212;COC(C=C(F)F)=CCN;ALUWGRZLLHBZHZ-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274213;MM274213;COC=C(C=C(C)C)OC;DZKWSJUQZYZWNW-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274214;MM274214;COC=C(C=C(C)F)OC;AEEOHSSBWLXPAB-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274215;MM274215;CCC(C=C(C)C)=NNC;FPHGYBFEPGAKKG-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274216;MM274216;CCC(C=C(C)C)=NOC;QGWFUVKZUXCPCC-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274217;MM274217;CC(CO)CN(C=N)C=O;PPXYUGWAKBIJCB-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274218;MM274218;CCC(C=C(C)F)=NOC;KHJCYOTTWIGMGN-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274219;MM274219;CON=C(C=C(N)N)CN;SKOWGQWGIYJRSQ-UHFFFAOYSA-N;144.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274220;MM274220;C=NN(C=N)CC(C)CO;FETSXXGUUIPSFG-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274221;MM274221;CNC(=O)CCNCC#N;DXQNWBYKFDTUGW-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274222;MM274222;C=CC=NNCC(C)CO;ZORAGDJEZZJNFP-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274223;MM274223;CON=C(C=C(C)C)OC;UWZKEYMRZGTMAT-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274224;MM274224;CON=C(C=C(C)F)OC;DESPWEMIHARVDI-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274225;MM274225;CON=C(C=C(N)N)OC;CCAOZHVSKLEXPG-UHFFFAOYSA-N;145.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274226;MM274226;CON=C(C=C(F)F)OC;SFXQWKOCBDCBFT-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274227;MM274227;CC(C)=CC(=CC=O)CO;KMZLNSWQLHUYMC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274228;MM274228;CC(F)=CC(=CC=O)CO;SKUZGMSQCHPQCF-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274229;MM274229;CC(F)=CC(=CC#N)CO;NKSUNYPYQNUHRR-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274230;MM274230;N#CC=C(C=C(F)F)CO;CRHJDSSANRLNNG-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274231;MM274231;CNC(C=C(C)F)=CC#N;ACZFDLWMGHMDDP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274232;MM274232;CNC(C=C(F)F)=CC#N;HGIPMULYTDYYND-UHFFFAOYSA-N;144.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274233;MM274233;COC(C=C(C)F)=CC#N;DYJBJSLXAGQHFH-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274234;MM274234;C=NN=C(C=C(C)C)CF;BQDPXCAHTRZMFP-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274235;MM274235;C=NN=C(C=C(C)N)CC;WKUHOXOXPZRGMK-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274236;MM274236;C=NN=C(C=C(C)N)CF;FARPKXGNMKLLMS-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274237;MM274237;C=NN=C(C=C(C)F)OC;VBMVGWPAYAFXCB-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274238;MM274238;C#CC=C(C=C(C)C)CC;DXHBQRKHHWEZHE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274239;MM274239;C#CC=C(C=C(C)C)CO;ILOORYAHTYBWKJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274240;MM274240;C#CC=C(C=C(C)F)CC;VYADFAMQTFSIDT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274241;MM274241;C#CC=C(C=C(C)F)CO;NZBDQJOMCQIRIO-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274242;MM274242;C#CC=C(C=C(F)F)CC;ZDVVHTKITOZEQZ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274243;MM274243;C#CC=C(C=C(C)C)OC;YBUOQOPWEOROSA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274244;MM274244;C#CC=C(C=C(C)F)OC;UEJDFLXGNGERTN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274245;MM274245;C=CC(C=C(C)C)=CCC;DIHQZKUZVHIDKV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274246;MM274246;CC(C)=CC(C=O)=CCF;UXFDHFHKBQZHOS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274247;MM274247;C=CC(C=C(C)F)=CCC;QCNIIZDMPHKLQJ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274248;MM274248;CC(F)=CC(C=O)=CCO;OMLYKKVQJPUFGU-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274249;MM274249;CC(F)=CC(C#N)=CCO;VKCXDKMREMBIIH-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274250;MM274250;C=CC(C=C(F)F)=CCN;YTFHWLLDXFKWIR-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274251;MM274251;CNC=C(C=O)C=C(C)F;RMUBXUKECRHURP-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274252;MM274252;C=CC(C=C(C)F)=COC;LQVBBKDDUWJGPH-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274253;MM274253;C#CC=NNCC(C)CO;WRHCGKAIWUUZNR-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274254;MM274254;C=NOC(C=O)C(F)=CF;DGNXCBWMCTVGKO-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274255;MM274255;C#CC(C)N(C=N)C(N)=O;YFOLPNMFYSKVQR-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274256;MM274256;CNc1nc(=O)ncn1C;OAMAEIGHYSURNO-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274257;MM274257;C#CC(C#N)N(C=N)C=N;RUVLOLLOBWGNRB-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274258;MM274258;C=CC(C=C(C)C)=NOC;HHLAJMLFVJCZRS-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274259;MM274259;CON=C(C=O)C=C(C)F;DNIULBFHFFHSGO-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274260;MM274260;CON=C(C#N)C=C(C)F;SQCKBUXXZFLTCI-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274261;MM274261;CON=C(C=O)C=C(N)N;RFOXITIIEXBOIB-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274262;MM274262;CON=C(C#N)C=C(N)N;ZLQPRWGXJVFMBX-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274263;MM274263;C=CC(C=C(F)F)=NOC;QPQTWVOGHQRNRQ-UHFFFAOYSA-N;147.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274264;MM274264;CON=C(C#N)C=C(F)F;YGVCPGMFNPPJKS-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274265;MM274265;C=CC=C(C=C)C=C(C)C;BYQUNEXTHGMZDI-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274266;MM274266;C=CC=C(C=O)C=C(C)C;NVCZAKIUFWETPU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274267;MM274267;C=CC=C(C#N)C=C(C)C;VQPPGSLWMTVAHJ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274268;MM274268;CC(C)=CC(C=O)=CC#N;WNHVLABMCLEYAJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274269;MM274269;CC(C)=CC(C#N)=CC#N;QVXMLPCTFHHOHP-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274270;MM274270;C=CC=C(C=C)C=C(C)F;OQTUWCXIZDRQKD-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274271;MM274271;C=CC(C=C(C)F)=CC#N;DKSCIXNLSYVIBL-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274272;MM274272;C=CC=C(C#N)C=C(C)F;LLXRCKMWVALLHM-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274273;MM274273;CC(F)=CC(C#N)=CC=O;HVNZKSGBVZUWRL-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274274;MM274274;CC(F)=CC(C#N)=CC#N;LIIXAMSWTKTELE-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274275;MM274275;C=CC(C=C(F)F)=CC#N;ZOUIHCMLADUEMS-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274276;MM274276;C=CC=C(C=O)C=C(F)F;ZAIXOSHIOHCIPZ-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274277;MM274277;C=CC=C(C#N)C=C(F)F;SIIXUBSJARUKMR-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274278;MM274278;N#CC=C(C=O)C=C(F)F;JSZGZPLGQMMVSF-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274279;MM274279;N#CC=C(C#N)C=C(F)F;YCKMWXRINAXJJD-UHFFFAOYSA-N;140.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274280;MM274280;C=CC(C=C(C)C)=NN=C;PERSCQDEUOXRRR-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274281;MM274281;C=CC(C=C(C)N)=NN=C;LFKLIEYFRNAJKV-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274282;MM274282;C=NN=C(C#N)C=C(N)N;NGKYRIUANARGSO-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274283;MM274283;C=NN=C(C#N)C=C(F)F;LDFBYONVIKIINR-UHFFFAOYSA-N;143.1;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274284;MM274284;C#CC=C(C=C)C=C(C)C;CAXKPPSCTDQQFD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274285;MM274285;C#CC=C(C=O)C=C(C)C;GZOHGWAYFOBCIB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274286;MM274286;C#CC=C(C#N)C=C(C)C;HSRMGCLEPSEZQK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274287;MM274287;C#CC=C(C=C)C=C(C)F;UUDUQTHCPWNANQ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274288;MM274288;C#CC=C(C#N)C=C(C)F;XSNJAOKCWYXSHA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274289;MM274289;C#CC=C(C=C)C=C(F)F;BJSSDGPXCJWBDP-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274290;MM274290;C#CC=C(C=O)C=C(F)F;IASNUBIZCUZGPZ-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274291;MM274291;C#CC(C=C(C)C)=CCC;YZJUTEVAVNQGGJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274292;MM274292;C#CC(C=C(C)C)=CCN;YLRUQPACZLTKGA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274293;MM274293;C#CC(C=C(C)F)=CCC;HMBOXBBCKIBDHC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274294;MM274294;C#CC(C=C(C)F)=NNC;GNXGYQKUODNGLX-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274295;MM274295;C#CC(C=C(C)C)=CC=C;GVRWGFNTRZUVGY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274296;MM274296;C#CC(C=C(C)C)=CC#N;MZPMGTITGQYSSZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274297;MM274297;C#CC(C=C(C)F)=CC=C;TZBULKQCCFZCJE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274298;MM274298;C#CC(C=C(C)F)=CC#N;NJHSWTBTCKZWLR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274299;MM274299;C#CC(C=C(F)F)=CC=O;CMMZTJMWEAEOSQ-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274300;MM274300;C#CC(C=C(N)N)=NN=C;NOEUCWPURJTZEZ-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274301;MM274301;C#CC(C=C(F)F)=NN=C;XITHVWZXKDJPMM-UHFFFAOYSA-N;142.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274302;MM274302;C#CC=C(C#C)C=C(C)C;QTFVOHYZQSWHNT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274303;MM274303;C#CC=C(C#C)C=C(C)F;XKZGHIAPESERET-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274304;MM274304;CC(C)C=C(CN)CCF;QAVKBZFPNGFOIE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274305;MM274305;CC(C)C=C(CO)CCN;BFYHHNRBZCTJFO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274306;MM274306;CC(C)C=C(CF)CCN;YSIHIXSYIGONDA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274307;MM274307;CC(C)C=C(CF)CCF;MAOGXFMKZPUSBX-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274308;MM274308;CCCC(=CC(C)N)CC;ITZLCLVONGXECS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274309;MM274309;CCC(=CC(C)N)CCF;LEXUKFJRUBPGLO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274310;MM274310;CC(N)C=C(CO)CCO;RRXPFBJFZZUTRV-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274311;MM274311;CC(N)C=C(CF)CCN;GDUODOUJTAQRLM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274312;MM274312;CC(N)C=C(CF)CCF;LHGZTQCNZBFSEM-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274313;MM274313;CCC(=CC(C)O)CCN;YSGBVLZPCBBFRI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274314;MM274314;CCCc1ccc(N=N)[nH]1;MPBYDRJOZPOFKU-UHFFFAOYSA-N;137.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274315;MM274315;CCCC(=CC(C)O)CN;ZSTAXDUYLRBXDR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274316;MM274316;CC(O)C=C(CF)CCN;WFQXLMHKOPWSJX-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274317;MM274317;CC(O)C=C(CF)CCO;GIMAXRPWFNBTFN-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274318;MM274318;CCC(=CC(C)F)CCN;JUWIJCVHFXYFQU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274319;MM274319;CCC(=CC(C)F)CCF;XTHWJKCEXJOYPV-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274320;MM274320;CCCC(=CC(C)F)CN;QGNBYIBGHXFINC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274321;MM274321;CC(F)C=C(CN)CCO;QJAZJCOYQHVVDA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274322;MM274322;CC(F)C=C(CO)CCN;OIPADDAVKHNYIH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274323;MM274323;CC(F)C=C(CF)CCN;RQNJUTLHANRMSN-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274324;MM274324;CCCC(=CC(F)F)CN;LMYBXUFFMCAVGZ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274325;MM274325;NCCC(=CC(F)F)CN;IBDADKBTCDCISD-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274326;MM274326;NCC(=CC(F)F)CCF;NUOHTTYSZZCSSS-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274327;MM274327;CCC(=CC(C)C)CNC;VBNHBRMEBBMZTL-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274328;MM274328;CNCC(=CC(C)O)CO;ALIMVSSRXFWIEP-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274329;MM274329;CCC(=CC(C)F)CNC;XYADZMWNHPXNIF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274330;MM274330;CNCC(=CC(C)F)CF;YDLUALBFSLKMEG-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274331;MM274331;CCC(=CC(F)F)CNC;CHDVQHUJJZCBJD-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274332;MM274332;COCC(=CC(F)F)CN;QUUBMQLGDKMLPF-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274333;MM274333;COC(=CC(C)O)CCO;AMJLPJHOBDXCON-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274334;MM274334;CNCC(=CC(F)F)OC;DYRWJIXIXXORJL-UHFFFAOYSA-N;151.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274335;MM274335;CONC(=NC(C)C)OC;LEMPIDXKCBAYNQ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274336;MM274336;C=CC1CN1CC(C)CO;BSQCJUZZAPGGMH-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274337;MM274337;CC(CO)CN1CC1C#N;TYTGENXAHBMBDN-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274338;MM274338;COC(CCN)=NN(C)C;IWNCYCSGHLZTSW-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274339;MM274339;Cn1nc(N)c(N)n1;XVGNDFHPSGYUHU-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274340;MM274340;CNNC(=NN(C)C)NC;AMSITDSRTCOHKR-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274341;MM274341;CNNC(=NN(C)C)NN;FPHZXURNXMNOOT-UHFFFAOYSA-N;146.2;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274342;MM274342;CNNC(=NN(C)C)NO;BLMAEJIFQJTYFY-UHFFFAOYSA-N;147.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274343;MM274343;NN=CC1CC1CO;QBWJYZFMMLZWKB-UHFFFAOYSA-N;114.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274344;MM274344;C=CCC(=CC(C)C)CC;QDCCQXMHUFNATJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274345;MM274345;CCC(=CC(C)C)CC=O;GCRHMGHFILOBLH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274346;MM274346;C=CCC(=CC(C)C)CN;PYIRIJUDROCXFZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274347;MM274347;N#CC(=CN)CC(N)=O;OOACSNKJSDZASA-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274348;MM274348;CC(C)C=C(CF)CC=O;AEZWBNISHHCWBR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274349;MM274349;C=CCC(=CC(C)N)CC;OGQJYOVLADSJFS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274350;MM274350;C#CCNC(=O)C(=C)C;XVGRLAPKPXXDHV-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274351;MM274351;CC=Cc1cc(N)n[nH]1;FBUBAVHSSYTZFS-UHFFFAOYSA-N;123.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274352;MM274352;C=CCC(=CC(C)O)CO;ZQCGLYPQFBFDPZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274353;MM274353;C=CCC(=CC(C)F)CC;KPBDYHWTAHRVDG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274354;MM274354;C=CCC(=CC(C)F)CN;SZMTZGNBVIFRJT-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274355;MM274355;C=CCC(=CC(C)F)CF;SEMFSUFCSJJPGA-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274356;MM274356;CC(F)C=C(CF)CC=O;AJYAEKFDTYWYQF-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274357;MM274357;C=CCC(=CC(F)F)CC;BLKXCUKLMLACRS-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274358;MM274358;CCC(=CC(F)F)CC=O;GFCAMCSATQIXMK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274359;MM274359;C=CCC(=CC(F)F)CN;OBEOWEOVJBKIAB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274360;MM274360;N#CCC(=CC(F)F)CO;AJOMAIRCAOIABZ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274361;MM274361;CC(C)C=C(CN)NC=N;FXUVXIZYPQRGMT-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274362;MM274362;CC(C)C=C(CN)NC=O;WEGUFLMCYCXFNG-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274363;MM274363;CC(C)C=C(CO)NC=O;DRINEYNINNJUSK-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274364;MM274364;CCC(=CC(C)N)NC=N;JJAGWNJEHBQPNL-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274365;MM274365;CC(O)C=C(CO)NC=O;AROPYNFCTCSALD-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274366;MM274366;CC(O)C=C(CF)NC=N;KEKGSNKZHBMANJ-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274367;MM274367;CC(O)C=C(CF)NC=O;QKDQPKYNSVRQFD-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274368;MM274368;CC(F)C=C(CO)NC=N;VLXDCTVZLSCVJI-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274369;MM274369;CC(F)C=C(CO)NC=O;GWTBXHPHXFWXHV-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274370;MM274370;COC(=CC(F)F)NC=O;RHPVSJHXXOJAHX-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274371;MM274371;CC(C)C=C(CN)OC=O;CHHRXNAVVNWFEH-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274372;MM274372;NCC(=CC(F)F)OC=O;CINFDODCVMFCDI-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274373;MM274373;O=COC(=CC(F)F)CO;KDTCDSJOHVFZJI-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274374;MM274374;C=NN1CC1C(=O)NC;YWWXIMGHDPLINI-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274375;MM274375;COC(CC#N)=NN(C)C;MXFOJOCHRBFOCD-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274376;MM274376;C=CNC(CC)=NN(C)C;PJRUHWYFYVVDCJ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274377;MM274377;CNC(=NN(C)C)NC=N;IPFNVHSESVJVRQ-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274378;MM274378;C=CNC(=NN(C)C)NN;HMAGGQSHQDMOHV-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274379;MM274379;CN(C)N=C(NN)NC=N;ZQDCFNXVJYTHGO-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274380;MM274380;C=CNC(=NN(C)C)NO;PTKCARXHUNEFAL-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274381;MM274381;CN(C)N=C(NO)NC=N;JBMRXKCBCYZHAI-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274382;MM274382;N=C(NCC(N)=O)OC=O;OZEMMLCMBYZVLV-UHFFFAOYSA-N;145.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274383;MM274383;COC(=NN(C)C)NC=O;XNCFCQKBSZCZHZ-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274384;MM274384;C=COC(CF)=NN(C)C;ODYHFPGGWIFYRE-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274385;MM274385;NN=COCOCC(N)=O;SRXHISOPZBXFPV-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274386;MM274386;C=NOC(=NN(C)C)NC;QCPJKMLPQWDVPI-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274387;MM274387;C#CCC(=CC(C)C)CN;HBAKDXOXPWFECT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274388;MM274388;C#CCC(=CC(C)N)CC;INWJLWCOCGECCS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274389;MM274389;C#CCC(=CC(C)O)CO;LUKVXDDDHPXAHZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274390;MM274390;C#CCC(=CC(C)F)CN;DVVHQPCBEGDAAY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274391;MM274391;NC(=O)C=CC#CC=CF;OTQZGCZXVFERKW-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274392;MM274392;C#CCC(=NN(C)C)OC;OGCXWZSIKOQWIM-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274393;MM274393;CC(C)C=C(C=O)CCF;FHDAZRFRYAWMOP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274394;MM274394;C=CC(=CC(C)N)CCC;GQJULSFOFOKBQM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274395;MM274395;C=CC(=CC(C)N)CCF;LFDXCDFTLPCYJP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274396;MM274396;CCCC(C#N)=CC(C)O;KGXGEHKLLVXNRJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274397;MM274397;CC(O)C=C(C#N)CCF;WKINSQKUZZIVAV-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274398;MM274398;C=CC(=CC(C)F)CCN;GZPFYJCTSGFPBD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274399;MM274399;CCCC(C#N)=CC(C)F;PLRGVBIJWLKHSV-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274400;MM274400;C=CC(=CC(F)F)CCN;FOEQPSHCJBYAKL-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274401;MM274401;C=CC(=CC(F)F)CCF;XFMFEMGIDCPDCB-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274402;MM274402;CCCC(C#N)=CC(F)F;GHBWRAKFJDPINR-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274403;MM274403;C=CC(=CC(C)C)CNC;OCURXXIVEDQKEG-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274404;MM274404;CNCC(C=O)=CC(C)C;WIAZJVKWHQOINT-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274405;MM274405;C=CC(=CC(C)F)CNC;QBYDHUZECGLWPQ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274406;MM274406;C=CC(=CC(F)F)CNC;ZBGGXVXPQUFECY-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274407;MM274407;COCC(C=O)=CC(C)C;VOASISCRCSUIBL-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274408;MM274408;COCC(C=O)=CC(C)O;YBCVKKWMNLRWTK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274409;MM274409;CCOC(C#N)=CC(C)O;LMSSKRRQOJJMJH-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274410;MM274410;CCNC(=O)C(C)=CCO;SLLWEGDSTJGIGA-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274411;MM274411;CCOC(C=O)=CN(C)C;FGXXZNUAUPKSJQ-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274412;MM274412;C=CC(CCN)=NN(C)C;HGYAJZHNQSVYAP-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274413;MM274413;CCCC(C=O)=NN(C)C;YGQZMWXQAYENPA-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274414;MM274414;C=CCN=CN(N)C(N)=O;REDSTQXOQRRNOR-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274415;MM274415;CN(C)N=C(C#N)CCF;FQOWDGYQCKWALB-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274416;MM274416;C=CC(COC)=NN(C)C;QKEKBYAYFWINFQ-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274417;MM274417;COCC(C#N)=NN(C)C;XDNSCYWYSUBTOA-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274418;MM274418;C=CCC(C=C)=CC(C)C;PNSCBVRFILNCRU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274419;MM274419;C=CC(=CC(C)C)CC=O;SHXUNKMVDRSHNB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274420;MM274420;C=CC(=CC(C)C)CC#N;OVYCKPORIAARBQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274421;MM274421;C=CCC(C=O)=CC(C)C;NAHOLOSLZXFQAM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274422;MM274422;C=CCC(C#N)=CC(C)C;GEBBTHQTXZJXNH-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274423;MM274423;N=C(N)C(=O)C(F)=CCO;UPLHRIHZBLAKIJ-UHFFFAOYSA-N;146.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274424;MM274424;N#CC(=N)NCC(=O)CF;XUIOTKCXVGXWLV-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274425;MM274425;C=CCC(C=O)=CC(C)O;HHNAQWTYDYLYTA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274426;MM274426;C=CCC(C#N)=CC(C)O;MAYOSQMLXLOWFI-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274427;MM274427;CC(O)C=C(C#N)CC=O;WUNKHDRIPPPMDH-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274428;MM274428;C=CCC(C=C)=CC(C)F;WWVAWMUFRKPQBQ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274429;MM274429;C=CC(=CC(C)F)CC=O;PIIPLLYWOHLKMH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274430;MM274430;C=CCC(C=O)=CC(C)F;HMYSLNMXIUEMIN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274431;MM274431;C=CCC(C#N)=CC(C)F;JKGPXBCQTJMBOC-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274432;MM274432;C=CCC(C=C)=CC(F)F;ZOJROIMIVQVQOT-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274433;MM274433;C=CC(=CC(F)F)CC=O;JYNXKSZMAYPACG-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274434;MM274434;C=CCC(C=O)=CC(F)F;OYBJPPRHQUYQTB-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274435;MM274435;C=CCC(C#N)=CC(F)F;WYDSVYQGXRCQSW-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274436;MM274436;N#CC(=CC(F)F)CC=O;RQGIMJOBVKNCOY-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274437;MM274437;N#CCC(C#N)=CC(F)F;JJSDZGJKWISOHG-UHFFFAOYSA-N;142.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274438;MM274438;C=CC(=CC(C)C)NC=N;YWRZXEGLPDVDJO-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274439;MM274439;CC(O)C=C(C#N)NC=N;JTMYUYJIWYLPFV-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274440;MM274440;CC(O)C=C(C=O)NC=O;DPBVASVOWWMGOT-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274441;MM274441;CC(O)C=C(C#N)NC=O;SRZGZWGJDYKSIN-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274442;MM274442;N#CC(=CC(F)F)NC=O;DPWQHWYQWNZFNG-UHFFFAOYSA-N;146.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274443;MM274443;C=COC(C=C)=CC(C)N;QLWQTUNLEBGQDV-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274444;MM274444;C=CC(=CC(C)N)OC=O;IWJBACVLBKBOJG-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274445;MM274445;C=COC(C#N)=CC(C)O;UJTLTDRXPFGKJG-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274446;MM274446;C=CCC(C=O)=CN(C)C;ZREMHDQMWPLNRX-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274447;MM274447;C=CCC(C#N)=CN(C)C;LWGVSEKKGPKXOO-UHFFFAOYSA-N;136.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274448;MM274448;CN(C)C=C(C=O)CC#N;KMABJUXOQIOVEC-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274449;MM274449;CN(C)C=C(C#N)CC#N;DHSUDCKRLGCNOO-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274450;MM274450;CN(C)C=C(C=O)N=CN;JFAVTQJGVRSLIO-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274451;MM274451;CN(C)C=C(C#N)NC=N;VYWOXWRTIDWSNB-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274452;MM274452;C=COC(C#N)=CN(C)C;BUASQSSZWXVLQI-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274453;MM274453;C=CC(=O)NCC(F)=CC;BUZSCGMMANWEKA-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274454;MM274454;C=CC(=O)NCC=CCO;YHYBRKXZQAFIAZ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274455;MM274455;C=CNC(C#N)=NN(C)C;IUBVKIPVKGFEKT-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274456;MM274456;C=CC(=NN(C)C)OC=O;SIWFNAJRLQKWQP-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274457;MM274457;C=CC(=NN(C)C)ON=C;SKLCNLVLJRYPLK-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274458;MM274458;C=NOC(C=O)=NN(C)C;YODPIJKMBKNOGJ-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274459;MM274459;C#CCC(C=C)=CC(C)C;QWFHSSJJGQBQJS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274460;MM274460;C#CCC(C=O)=CC(C)C;MYXFQYLHLKNCAS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274461;MM274461;C#CCC(C=C)=CC(C)N;FFWMGQJHVYVRNC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274462;MM274462;C=CN(NCC)C(=O)NC;SVTZCCGGSUYFPV-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274463;MM274463;C#CCC(C=C)=CC(C)F;SWXBRHBIGSPHHO-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274464;MM274464;C#CCC(C=C)=CC(F)F;CPGMBYGRIBSULD-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274465;MM274465;C=CCC(CO)CC=NN;JCNUMTVYFYZKQD-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274466;MM274466;C#CCC(C=C)=NN(C)C;SNBUAHOLQJWQHU-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274467;MM274467;C#CC#CC(C#N)ON=C;LHYXKHHSUGZYNI-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274468;MM274468;C#CC(=CC(C)C)CCC;OLUQQDWHNJYYMF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274469;MM274469;C#CC(=CC(C)N)CCC;FAXGZSVHEYERIO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274470;MM274470;C#CC(=CC(C)N)CCN;ZOEOOZUQAVGJOR-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274471;MM274471;C#CC(=CC(C)N)CCF;YLQBSBGQHWEFIQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274472;MM274472;COC1=NC(=NC=N)CN1;NOTZFEKQZGJOSP-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274473;MM274473;CCC(=NN)C1CC1CO;GJFPGAXLKHNLLD-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274474;MM274474;C#CC(=CC(C)C)CNC;FRCKUMLRSXAXBO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274475;MM274475;C#CC(=CC(C)N)CNC;HEPSOXNWZBCBLP-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274476;MM274476;C#CC(=CC(C)F)CNC;KZNXTIVEKMOZON-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274477;MM274477;C#CC(=CC(F)F)CNC;IJTHJBIIBRWRNN-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274478;MM274478;C#CC(=CC(C)N)COC;DITBDPLVMHANEV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274479;MM274479;C#CC(=CC(C)O)COC;AGKCWDPCNQDRKS-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274480;MM274480;C#CC(CCC)=NN(C)C;VUCNCXMXLQHKMJ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274481;MM274481;C#CC(=NN(C)C)OCC;QAXLMZRKQLOTQP-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274482;MM274482;C#CC(=CC(C)C)CC=C;ILCAUMDMBYYNOE-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274483;MM274483;C#CC(=CC(C)C)CC=O;JLJVTGWNDOCSPZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274484;MM274484;C#CC(=CC(C)N)CC=C;OFOPMWKGIXZPLF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274485;MM274485;C#CC(=CC(C)O)CC#N;URMMDBFBUINQTG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274486;MM274486;C#CC(=CC(C)F)CC=C;VTKRAAWUFLUUFC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274487;MM274487;C#CC(=CC(C)F)CC=O;SKXIUFUMGFNUKE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274488;MM274488;C#CC(=CC(F)F)CC=C;XJSXXJIEHLZUIJ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274489;MM274489;C#CC(=CC(F)F)CC=O;PFTGHSOUUTUIKQ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274490;MM274490;C#CC(=CC(F)F)CC#N;UKSAGAVZUNJMNB-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274491;MM274491;C#CC(=CC(C)N)NC=O;SGXVWGDJIQQNAQ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274492;MM274492;C#CC(=CC(F)F)NC=N;SRZQRYNTISSNML-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274493;MM274493;C#CC(=CC(C)N)OC=C;FITVBJZXMYDGRC-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274494;MM274494;C#CC(=CC(C)F)OC=C;UHLQNXNEEAWQRO-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274495;MM274495;C=CC1=NCC(C=O)=NN1;AEAUREMFDLEVMH-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274496;MM274496;C#CCC(C#C)=CC(C)C;PVOCSHJOEHFDRC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274497;MM274497;C#CCC(C#C)=CC(C)N;BXQDJZNLJDTNNR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274498;MM274498;NN=CNN=CC(N)=O;YFICATAVNHSFJV-UHFFFAOYSA-N;129.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274499;MM274499;C#CCC(C#C)=CC(C)F;UKEOBBLEKSGZQO-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274500;MM274500;C#CCC(C#C)=CC(F)F;GTVTZXMRBOVQFN-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274501;MM274501;C=C(C)C=C(CN)CCO;SGYRCXALUQGKDU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274502;MM274502;C=C(C)C=C(CN)CCF;KXXDBYQYQJEZNV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274503;MM274503;C=C(C)C=C(CO)CCN;OVFVKXRDEIHQMD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274504;MM274504;C=C(C)C=C(CF)CCF;MUILNOXIUZWVSM-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274505;MM274505;CCCC(=CC(C)=O)CC;MCNHFDAOCWJZMS-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274506;MM274506;CCNC(=O)C=CCO;JTVLAFJSXGZEBW-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274507;MM274507;CCC(=CC(C)=O)CCF;WOSVCYWVOKBGEO-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274508;MM274508;CC(=O)C=C(CF)CCF;QVQZFEHXLXKIIU-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274509;MM274509;CCC(=CC(=N)N)CCN;SSDCMLQTSGLZLX-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274510;MM274510;CCCC(=CC(=N)N)CN;JRATYTRVAGNIJS-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274511;MM274511;CC(C=NN)C(C)CO;GDRBQIBIQLFAQI-UHFFFAOYSA-N;130.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274512;MM274512;O=CCC1=NC(=O)C=C1;SRFYEYRSQRJOHG-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274513;MM274513;CCCC(=CC(N)=O)CN;VOBJPTDHCKFLCR-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274514;MM274514;CCC(CO)CC=NN;OXSANXZZYZFTPN-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274515;MM274515;CCCC(=CC(=O)O)CC;WRPMHFHMXOUTTI-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274516;MM274516;CCC(=CC(=O)O)CCF;LGRUPJVRHCFMMV-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274517;MM274517;O=c1[nH]c(=NO)nnn1O;VXLLKHPIONUPAT-UHFFFAOYSA-N;145.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274518;MM274518;Oc1c(F)c(F)n(O)c1F;NVAQNKPRWHIQMI-UHFFFAOYSA-N;153.06;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274519;MM274519;CCCC(=CC(=O)O)CF;FQADKQHGGPQDIQ-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274520;MM274520;O=C(O)C=C(CF)CCF;SBPYAXWTDGQIFF-UHFFFAOYSA-N;150.12;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274521;MM274521;C=C(F)C=C(CC)CCN;SSYNBMGEILMNSW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274522;MM274522;C=C(F)C=C(CN)CCC;VOBZGPJSYPFRLG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274523;MM274523;C=C(F)C=C(CF)CCN;KSULBSULFDLIQE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274524;MM274524;C=C(C)C=C(CC)CNC;XNOJFCUUUCLTPZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274525;MM274525;CCC(=CC(C)=O)CNC;OMEKFBBETQNSSR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274526;MM274526;CNCC(=CC(C)=O)CF;QTWNKCLHEYSTIU-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274527;MM274527;C=C(F)C=C(CC)CNC;RCKZZMLCFNWPOA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274528;MM274528;COCC(=CC(=N)N)CF;KHCWHEKSGJPXQT-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274529;MM274529;CCCC(=CC(=N)N)NC;RUCYEMFCHYSSJK-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274530;MM274530;NN=C1CCC(CO)C1;QLDWOMWFZUNCRS-UHFFFAOYSA-N;128.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274531;MM274531;CNCC(=CC(C)=O)NC;TUILYWCVPVCEAF-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274532;MM274532;COC(=CC(=N)N)CCO;VQMFZNGFWSWZBZ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274533;MM274533;C=NNCC1CC1CO;ZUXGWGHXWPTRMG-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274534;MM274534;O=c1[nH]c(=NO)on1O;SFNJAKTYTVATDW-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274535;MM274535;COCC(=CC(=N)N)OC;ZOJROWABOCKGRR-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274536;MM274536;CC(CO)CC(=O)N(C)N;AFFZSRDBKDQAJD-UHFFFAOYSA-N;146.19;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274537;MM274537;COn1oc(=NO)[nH]c1=O;HOYOUOFXIYIAGV-UHFFFAOYSA-N;147.09;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274538;MM274538;CCNC(=CC(=N)N)NC;LYPLJFAFUNGCMK-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274539;MM274539;C=NOC(CC(C)O)=NN;BABODZDXLYYWMO-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274540;MM274540;CCOC(=CC(C)=O)CF;BQAOCUPXTASVJI-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274541;MM274541;CCOC(=CC(N)=O)CO;INEYZIGTPZQSIK-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274542;MM274542;CCOC(=CC(C)=O)NC;BWNRHPPFJWWUNK-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274543;MM274543;C=C(C=O)C=C(C)C(=O)O;FOVFNXQAFACQPH-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274544;MM274544;CCNC(=NC(C)=N)NN;XIYCTRRFTLILSS-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274545;MM274545;CCNC(=NC(N)=O)NC;ROIFBUUXGQXEPJ-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274546;MM274546;CNNC(=NC(C)=N)NC;HVCWJJACLWVUAT-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274547;MM274547;CNNC(=NC(C)=N)NO;XRBPKXMFXFBPMS-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274548;MM274548;CNNC(=NC(C)=O)NC;HGCLRKWXSXOOBP-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274549;MM274549;CNNC(=NC(=N)N)NC;FZVQIGCJKPRZNK-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274550;MM274550;CNNC(=NC(=N)N)NN;SGKMEWHXMYRTMK-UHFFFAOYSA-N;145.17;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274551;MM274551;CNNC(=NC(=N)N)NO;HOPFZFANFGQWCG-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274552;MM274552;CONC(=NC(C)=N)NN;AETZEFLYJPRHPJ-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274553;MM274553;CONC(=NC(C)=O)NO;KRTFFPRJHGNSRG-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274554;MM274554;C#CCC=CN(N)C(N)=O;GUHFUJBHFNIMJK-UHFFFAOYSA-N;139.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274555;MM274555;CCNC(=NC(=N)N)OC;RMOSHNCFTOOTBT-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274556;MM274556;C#CCN(C=NC)C(N)=O;XLIXLFGINVBCQX-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274557;MM274557;CCC(CO)CC(C)=NN;ASQVFZAGYMAUES-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274558;MM274558;CCC(COC(N)=O)=NN;NCMQXAMVKDBBPL-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274559;MM274559;CONC(=NC(C)=O)OC;VTZWFPRGOCLOEQ-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274560;MM274560;CONC(=NC(=N)N)OC;DWWIEASNYPSQDX-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274561;MM274561;CNC1(C#N)CC(CO)C1;KZGLFOANBCLIKN-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274562;MM274562;C=NNCC(=O)CC#CC;CTRSDWYEEIUPQR-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274563;MM274563;CCOC(=NC(C)=O)NO;MGJMOJKOKMCVGW-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274564;MM274564;CCOC(=NC(=N)N)NC;XVXJEDLOPOZTIJ-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274565;MM274565;N=C(NCCF)C(F)C=O;UVKMLXBBNDDTKB-UHFFFAOYSA-N;150.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274566;MM274566;C=CCC(=CC(=C)C)CC;XZVGJNLPGCNFKY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274567;MM274567;C=C(C)C=C(CC)CC#N;GKGKCUVCFFKUTP-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274568;MM274568;C=CCC(=CC(=C)C)CN;DNNBESXCLVJCHP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274569;MM274569;CON=CC(C)C(C)CO;XZPNOMBEJYJMRU-UHFFFAOYSA-N;145.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274570;MM274570;C=C(C)C=C(CO)CC#N;SCJDVRXAUJQELD-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274571;MM274571;C=C(C)C=C(CF)CC=O;IIBBNNWUHSUZMC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274572;MM274572;C=CCC(=CC(C)=O)CC;CGOZKEMRQKQMRA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274573;MM274573;CCC(=CC(C)=O)CC=O;PTNJZRJGVPHDLI-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274574;MM274574;C=CCC(=CC(C)=O)CF;RKYFBEVDIHZPTB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274575;MM274575;CC(=O)C=C(CF)CC=O;ADVMATOSOPSYQN-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274576;MM274576;C=CCC(=CC(=N)N)CC;VSOTZKBGZROQHR-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274577;MM274577;CCC(=CC(=N)N)CC=O;MSPNRNBQGDYGCA-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274578;MM274578;C=CCC(=CC(=N)N)CO;JXBOSWNJEPULCK-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274579;MM274579;N=C(N)C=C(CF)CC=O;YTLPVFYHFRWUGD-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274580;MM274580;C=CC(=O)NCCOC=O;WBAUYOTXNNBCHM-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274581;MM274581;C=NOC(C=O)C(=C)C#N;WNNVKFGFYZRHGU-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274582;MM274582;C=NOCC(C=O)CC=O;YSHZINIMIKPRIE-UHFFFAOYSA-N;143.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274583;MM274583;C=CCC(=CC(=O)O)CC;KENUDTBKTRJDKU-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274584;MM274584;CC(=CC=CC=O)C(=O)O;OWUYFGRQSIZFEX-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274585;MM274585;CCCOC(C)C(=O)O;CPCVNVLTHQVAPE-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274586;MM274586;COCOCCC(=O)O;AXTQPVLFIFFQJW-UHFFFAOYSA-N;134.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274587;MM274587;C=CCC(=CC(=C)F)CC;ATKWKISHDXYDGD-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274588;MM274588;C=C(F)C=C(CC)CC=O;FFEVOOINROTGPK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274589;MM274589;C=CCC(=CC(=C)F)CN;GGQDNADTYYXDKS-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274590;MM274590;C=CCC(=CC(=C)F)CO;PQWLKDLMJVAEKD-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274591;MM274591;C=C(F)C=C(CO)CC=O;TXCHAVHTHOYFHQ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274592;MM274592;C=C(F)C=C(CF)CC=O;ZRZMOIZKXXYXOW-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274593;MM274593;COC(=CC(=N)N)CC#N;XUMRNBJTMLKFTE-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274594;MM274594;CCC(CO)CC=NNC;GLUSLUWWFSGIKF-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274595;MM274595;C=C(C)C=C(CO)NC=O;VUSPVARHKYKXAY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274596;MM274596;CCC(=CC(=N)N)NC=N;WEMHDYVPSVTDAG-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274597;MM274597;N=CNC(=CC(=N)N)CN;OTMVBUAMTCTDSB-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274598;MM274598;N=CNC(=CC(=N)N)CO;GJAOFMBDDJSSFK-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274599;MM274599;N=C(N)C=C(CO)NC=O;RUYPTBIIOSJFMA-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274600;MM274600;N=CNC(=CC(=N)N)CF;UMJXIBSUOOFVQT-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274601;MM274601;N=CNC(=CC(N)=O)CO;BYVQNKOGBVIPKM-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274602;MM274602;NC(=O)C=C(CO)NC=O;ZJWMBISHMGARSD-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274603;MM274603;N=CNC(=CC(N)=O)CF;OHMZALACCYDJAP-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274604;MM274604;C=NNC(=CC(=N)N)CO;LLPXUERECCFPRZ-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274605;MM274605;C=NNC(=CC(=N)N)CF;RUIRQKQMNBACMY-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274606;MM274606;CCC(CO)CC=NOC;NHKZRAUHMNQSTB-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274607;MM274607;CNC(=CC(=N)N)NC=N;WPUQJCRXIYBWFB-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274608;MM274608;CNC(=CC(N)=O)NC=O;WEVWYOTZSXEBTM-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274609;MM274609;O=C(O)CCOCCO;GTIFLSYPOXYYFG-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274610;MM274610;COC(=CC(=N)N)NC=N;ZLZZKROSANBUNA-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274611;MM274611;COC(=CC(N)=O)N=CN;BFZUUWUCNZQTJG-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274612;MM274612;C=C(F)C=C(NC=O)OC;NUDJFMPHORQQTE-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274613;MM274613;N=C(N)C=C(CF)OC=O;PYATZPUDTPXIEC-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274614;MM274614;O=CC12CC(CO)CC1N2;YZGLWORAGQUJBT-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274615;MM274615;NC(=O)C=C(CF)OC=O;FPWMQYSQYRAUCR-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274616;MM274616;C=C(CF)C(CO)C(=O)O;DMSRLJFTRIZFMZ-UHFFFAOYSA-N;148.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274617;MM274617;CNC(=CC(C)=O)OC=O;XCIADZZMYQDBDZ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274618;MM274618;CNC(=CC(=N)N)OC=O;WEBNWUGNCQAFSU-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274619;MM274619;O=C(O)C(=CCF)CCO;YOBBOVIODYFMEH-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274620;MM274620;C=CN=C(CO)NC(=N)N;XLDHRTVAWKFIPN-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274621;MM274621;C=CN=C(CO)NC(N)=O;TVGZFYANVDJZRN-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274622;MM274622;C=CN=C(CF)NC(N)=O;AWCFLXDGZNVKNY-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274623;MM274623;CNC(=NC(C)=N)NC=N;XMGIIPWHAQAFGM-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274624;MM274624;C=CNC(=NC(C)=N)NN;XYRDYBJSJUHPMN-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274625;MM274625;CC(=N)N=C(NN)NC=N;UMYKBCZUIODSSG-UHFFFAOYSA-N;142.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274626;MM274626;C=CNC(=NC(C)=N)NO;MAZCTCBXJPVATJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274627;MM274627;CC(=N)N=C(NO)NC=N;YSUMWTZZIBALRR-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274628;MM274628;CNC(N=CN)=NC(C)=O;ZQHDVSPUDKDQBC-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274629;MM274629;N#CC12CC(CO)CC1N2;FAFQSDCVBSOJQJ-UHFFFAOYSA-N;138.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274630;MM274630;CC(=O)N=C(N=CN)NN;AMAHCOXLLCNVDB-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274631;MM274631;CC(=O)N=C(NO)NC=O;QCERPKFDAVZRDW-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274632;MM274632;N=C(N)N=C(NN)NC=O;QSRPXWRISLMLGX-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274633;MM274633;N=C(N)N=C(NO)NC=O;LGGPKZMYNZQOFD-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274634;MM274634;C=CNC(=NC(N)=O)NN;APFSVGGCUGUYBR-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274635;MM274635;N=CNC(=NC(N)=O)NN;OHCIUXBGMFJOIJ-UHFFFAOYSA-N;144.14;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274636;MM274636;C=Cc1n[nH]c(C=C)c1C;YYDLFPQMOXSTCC-UHFFFAOYSA-N;134.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274637;MM274637;C=NNC(=NC(C)=N)NC;IXVVZGBTFKVKCF-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274638;MM274638;CC#CC1NC1C(=O)NC;FECFWBSMNGYOKA-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274639;MM274639;C=NNC(=NC(C)=O)NO;RBJBPOWNUJJPEC-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274640;MM274640;C=CNC(=NC(=N)N)OC;VOXXHIKOZSGGLU-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274641;MM274641;COC(=NC(N)=O)NC=O;NRIOHSKSYMRCAJ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274642;MM274642;N#CCNCC1CC1CO;IDHYITXESDOBLM-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274643;MM274643;OCC1CC1C1(CF)CN1;YPKBTLAOOMICRC-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274644;MM274644;CON=CCC=O;WITAHIQXXBDMTC-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274645;MM274645;N=C(N)N=C(NN)OC=O;QLZYDWLCVAACFD-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274646;MM274646;CC(CO)CC=NN;XWJNEKMOXHWUBL-UHFFFAOYSA-N;116.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274647;MM274647;NC(=O)N=C(NO)OC=O;SPERGXGIJGFKSX-UHFFFAOYSA-N;147.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274648;MM274648;NC=C(CF)C(N)=O;DRFJNKVGVXVJSS-UHFFFAOYSA-N;118.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274649;MM274649;C=Cc1cc(N)n[nH]1;OPXBQOZCTVWYGG-UHFFFAOYSA-N;109.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274650;MM274650;C=NOC(=NC(=N)N)NC;ATUHWIYPFWRMDH-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274651;MM274651;C#CCC(=CC(=C)C)CC;XQSKKVAYVUEUPJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274652;MM274652;C#CCC(=CC(=C)C)CN;IBLKHGUMAUUGHJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274653;MM274653;C#CCC(=CC(C)=O)CC;TZNOHNZARHMDFD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274654;MM274654;C#CCC(=CC(C)=O)CF;ZTIBGQBKXWPQLI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274655;MM274655;C#CCC(=CC(=N)N)CF;JUKZJMJJGYLWNB-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274656;MM274656;COC1=NC(=N)CN1;MLTLGLSKPSSWOM-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274657;MM274657;CCON=CCC=O;DTHLMCXPABOLED-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274658;MM274658;C#CCC(=CC(=O)O)CC;HZURGCRSALFFBR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274659;MM274659;C#CCC(=CC(=C)F)CO;AIGVINUOPKYDNP-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274660;MM274660;C#CCC(=CC(=N)N)OC;WBMIJYJEOORCKM-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274661;MM274661;C=CC(=CC(=C)C)CCN;YGPBDXPWUGSURH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274662;MM274662;C=C(C)C=C(C#N)CCC;NUJKPHHFHRZBTL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274663;MM274663;C=C(C)C=C(C=O)CCF;UFPYGRZRGYJCIS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274664;MM274664;C=C(C)C=C(C#N)CCF;DZYOEBFPYABGED-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274665;MM274665;C=CC(=CC(C)=O)CCF;HSDYYGCYSVSBSO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274666;MM274666;C=CC(=CC(=N)N)CCC;NKLKDPBWQAMDKA-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274667;MM274667;C=CC(=CC(=N)N)CCO;ADPUREUITYEARH-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274668;MM274668;C=CC(=CC(=N)N)CCF;KFMARSXYOWAFPY-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274669;MM274669;CCCC(C#N)=CC(=N)N;UBKYTGYOCBHKJY-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274670;MM274670;N#CC(=CC(=N)N)CCO;WXYWYFGQKORZJW-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274671;MM274671;CC(O)CC(=O)C(=N)N;HJKKTOGKQYGIGO-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274672;MM274672;CN(CC#N)CC(N)=O;GOZOUOWELOWASE-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274673;MM274673;CC(C#N)NCC(N)=O;QXLQRORZVDKPJV-UHFFFAOYSA-N;127.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274674;MM274674;CC(C)ON=CCC=O;WOWFFWGWVMXYOJ-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274675;MM274675;C#CCNN=CC(N)=O;SJCYALSYUOVUON-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274676;MM274676;CON=CCC(C)CO;IOKGZPKRZXPUKU-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274677;MM274677;C=CC(=CC(=O)O)CCC;KAVCSBOMJFDIER-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274678;MM274678;C=CC(=CC(=O)O)CCF;IIYMYSZMDAULDZ-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274679;MM274679;CCCC(C#N)=CC(=O)O;IEFAAVMAYSUHHZ-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274680;MM274680;C=CC(=CC(=C)F)CCN;TVHGTTQQPSVGDL-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274681;MM274681;C=C(F)C=C(C=O)CCF;KLCCDEVPNCSQFN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274682;MM274682;C=CC(=CC(N)=O)CNC;ZRFNRYAWUIWEMY-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274683;MM274683;C=CC(=CC(=C)F)CNC;ZJZLNCRCBFOWLU-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274684;MM274684;C=CC(=CC(=N)N)COC;DTGVWSBNBJASAK-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274685;MM274685;COCC(C#N)=CC(=N)N;XEUVMWUDEMVZAU-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274686;MM274686;C=NNC1CC(CO)C1;FNTOSJGGDJXPQR-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274687;MM274687;CCNC(C#N)=CC(=N)N;YDVMLZVIQAKIES-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274688;MM274688;CCc1ccc(N=N)[nH]1;HTOUGFQTWBKDRF-UHFFFAOYSA-N;123.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274689;MM274689;CCOC(C#N)=CC(C)=O;SPBLTZQJMSXCMS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274690;MM274690;COCON=CCC=O;JUIQZJWZLJUOPG-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274691;MM274691;N#CCONC(=O)C=NO;FEQUCPTVMFWHAT-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274692;MM274692;C=CC(CC(=O)O)=NN=C;NANUZGVXXSZDPE-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274693;MM274693;C=CCC(C=C)=CC(=C)C;QQQLCOWPZSZJOY-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274694;MM274694;C=CC(=CC(=C)C)CC=O;XYVWAQUGPJDDOO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274695;MM274695;C=CC(=CC(=C)C)CC#N;VKGWOODKSXFTIB-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274696;MM274696;C=CCC(C=O)=CC(=C)C;KBMPHDKYDIWXPY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274697;MM274697;C=CCC(C=C)=CC(C)=O;FALOTWLCFBPDFL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274698;MM274698;C=CC(=CC(C)=O)CC=O;YVGGHNUOVKZKSU-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274699;MM274699;C=CCC(C=C)=CC(=N)N;NOGTZCJTCAAVKP-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274700;MM274700;C=CC(=CC(=N)N)CC#N;GKYOIGLEQGOPFO-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274701;MM274701;C=CCC(C#N)=CC(=N)N;YVBQNKWJNUESHO-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274702;MM274702;N#CCC(C#N)=CC(=N)N;KDMXVCUAYWHYTK-UHFFFAOYSA-N;134.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274703;MM274703;C=CCON=CCC=O;HXHWDUMTPMFPOB-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274704;MM274704;C#CCON=CCC=O;KDZYIEIVMBGGKB-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274705;MM274705;CN1C2CC(CO)CC21;KIQMGGUDFZGXMQ-UHFFFAOYSA-N;127.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274706;MM274706;CNC(=O)C=C(N)C(N)=O;JSJCHAJDEPXGDZ-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274707;MM274707;C=CCC(C=C)=CC(=O)O;VSXRVDOLUUNRQX-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274708;MM274708;C=Cc1n[nH]n(C)c1=O;YTBUBBDFPZUTSM-UHFFFAOYSA-N;125.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274709;MM274709;C=CC(=CC(=O)O)CC#N;LMNOXSKVMNZPME-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274710;MM274710;C#Cc1c[nH]n(N=C)c1=O;YTIWWRJPTJGEIG-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274711;MM274711;C=CCC(C=C)=CC(=C)F;WFHMFUIGAOQZCR-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274712;MM274712;C=CC(=CC(=C)F)CC=O;MUTVRYWYUBSVSW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274713;MM274713;C=CC(=CC(=C)F)CC#N;OFQKOCDUNBNWMA-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274714;MM274714;C=CCC(C=O)=CC(=C)F;DKVWKVDEHVBCCS-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274715;MM274715;C=CCC(C#N)=CC(=C)F;CEHVIEMROPVCRB-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274716;MM274716;C=C(F)C=C(C#N)CC#N;QNXKUYBJSADXRP-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274717;MM274717;CC(=O)C=C(C=O)NC=O;VXHOLVNSUDNPPH-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274718;MM274718;C=CC(=CC(=N)N)NC=N;XLXXSOVYVVKMCA-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274719;MM274719;C=CC(=CC(=N)N)NC=O;SAHPPVKDTQGZAG-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274720;MM274720;N#CC(=CC(=N)N)NC=N;MAOLZUUIYKMDPQ-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274721;MM274721;N#CC(=CC(=N)N)NC=O;WLKZOPLHILOWDN-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274722;MM274722;C=CC(=CC(N)=O)NC=N;SBOCCIUIFJQWBY-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274723;MM274723;C=CC(=CC(N)=O)NC=O;LXUOJFXWKHSXTD-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274724;MM274724;N#CC(=CC(N)=O)NC=O;LKZOCESLOSRASU-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274725;MM274725;CC(=NO)C(C)(C)C(=O)O;AMQXWYMGLASODJ-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274726;MM274726;C=NNC(C)COC(N)=O;QXQHJXSELXPMEQ-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274727;MM274727;N#CC=C(N)NCC(N)=O;OKPDCQBWRGWTRY-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274728;MM274728;C=COC(C=O)=CC(=C)C;SZGUBDSBMSKVGH-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274729;MM274729;C=COC(C=C)=CC(C)=O;VHUPTEZPXSZBAB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274730;MM274730;C=COC(C=O)=CC(=N)N;NEUFVMKRNJYLCJ-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274731;MM274731;C=COC(C#N)=CC(=N)N;WLDDTXVIDITOID-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274732;MM274732;C=NN(C)CCOC(N)=O;JSGANDBOOCWBGM-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274733;MM274733;C#CC(F)(C=NN)C=NO;XYVRSNINYSJGGC-UHFFFAOYSA-N;143.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274734;MM274734;C=C(C=NNC)C(=O)O;IKUVJSVWLHCEFO-UHFFFAOYSA-N;128.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274735;MM274735;Nn1cnc(=O)nc1O;HIUSJCCJQZSYRQ-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274736;MM274736;C=CNC(C=O)=NC(=N)N;MJNLUYQFAGRUTF-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274737;MM274737;C#CCC(C=C)=CC(=C)C;CRZMOKLBFXZXAO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274738;MM274738;C#CCC(C=O)=CC(=C)C;AOVKBVHXDHEDTF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274739;MM274739;C#CCC(C=C)=CC(C)=O;LZZJUEYCXITMAC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274740;MM274740;C#CCC(C=O)=CC(C)=O;WXHQSRKMVMJJRO-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274741;MM274741;C#CCC(C=C)=CC(=O)O;KASXCMWEUIESGP-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274742;MM274742;C#CCC(C#N)=CC(=O)O;UBHSRZBZJAJXTK-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274743;MM274743;C#CCC(C=C)=CC(=C)F;BBXXYCIIHLQGCY-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274744;MM274744;C#CCC(C=O)=CC(=C)F;IAKQGWUUZXVMBN-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274745;MM274745;C#CCC(C#N)=CC(=C)F;BKDNSTZNKYDPBQ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274746;MM274746;C#CC(=CC(=C)C)CCC;UUXITQNSYFQJCP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274747;MM274747;C#CC(=CC(=C)C)CCF;QKKDDGJKXZHXTO-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274748;MM274748;C#CC(=CC(C)=O)CCC;YOVCHXHWNSYLJS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274749;MM274749;C#CC(=CC(=N)N)CCC;JCPSYRAYEWJRRF-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274750;MM274750;C#CC(=CC(=N)N)CCN;POTYZIBAPQAESH-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274751;MM274751;N#CC(N)=NCCC(N)=O;VYEYTBIEEZMVDC-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274752;MM274752;CC(CCOC(N)=O)=NN;IWXHWAMBRZHVNT-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274753;MM274753;C#CC(=CC(=O)O)CCC;GGLJKTIGCFTEGX-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274754;MM274754;C#CC(=CC(=O)O)CCF;LKVXHGLWLMHUKB-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274755;MM274755;C#CC(=CC(=C)F)CCC;SBXNRGVQANHURQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274756;MM274756;C#CC(=CC(=C)F)CCN;PFIJPKFRCQCEEK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274757;MM274757;C#CC(=CC(=C)C)CNC;IWQCTHVGJZIAKI-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274758;MM274758;C#CC(=CC(=C)F)CNC;PDKVNQXTXIARIT-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274759;MM274759;CNn1oc(=NN)[nH]c1=O;GOSGBUSTRFQMQC-UHFFFAOYSA-N;145.12;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274760;MM274760;C#CC(=CC(C)=O)NCC;VDELPIMQADGAIL-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274761;MM274761;C#CC(=CC(C)=O)OCC;ZZVKLXVPTABUCX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274762;MM274762;CON=C(C)CC(C)CO;NNDHVCDXFZAEGM-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274763;MM274763;C#CC(=CC(=C)C)CC=C;ZXLQNHLZMOIFCD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274764;MM274764;C#CC(=CC(=C)C)CC=O;VLTYTONCVCPOFY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274765;MM274765;C#CC(=CC(C)=O)CC=C;DACXJBCKJPFZRR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274766;MM274766;C#CC(=CC(C)=O)CC=O;FVCZHBQVOXPOMX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274767;MM274767;C#CC(=CC(=O)O)CC=C;ZBGJYLCBLKDVNP-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274768;MM274768;C#CC(=CC(=O)O)CC#N;WMNIMVXUSXPSLV-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274769;MM274769;C#CC(=CC(=C)F)CC=C;MBNYTRYRPUVGCE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274770;MM274770;C#CC(=CC(=C)F)CC=O;WEBZLZRGQGRXTQ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274771;MM274771;C#CC(=CC(=C)F)CC#N;QFQUPPWLWAAJOS-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274772;MM274772;C#CC(=CC(C)=O)NC=O;RKCSJQSAHDOAFZ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274773;MM274773;C#CC(=CC(=N)N)NC=N;ZVIGZCOYRFXYGI-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274774;MM274774;C#CC(=CC(=N)N)NC=O;NPPMZLAEXOMJAU-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274775;MM274775;C#CC(=CC(N)=O)NC=N;FTRORBUNOPFJJG-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274776;MM274776;O=c1cc(O)[nH]c(=O)o1;CQHQCZOVQRABHT-UHFFFAOYSA-N;129.07;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274777;MM274777;C#CC(=CC(=N)N)OC=O;CGTNPQLGXKCXJG-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274778;MM274778;C#CC(=CC(N)=O)OC=O;IAQFXTFPZSWZKT-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274779;MM274779;O=CCCC(F)CC(=O)O;FEOHHQOTBZHEQQ-UHFFFAOYSA-N;148.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274780;MM274780;C#CC(=NC=C)NC(C)=O;IWMUYCJLSLMYJL-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274781;MM274781;C#CC(=NC=C)NC(N)=O;IXMHEYYACXGKSN-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274782;MM274782;C#CCC(C#C)=CC(=N)N;UYANLNAYRDBIJN-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274783;MM274783;C#CCC(C#C)=CC(=O)O;ZSOOCTXABUGXPU-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274784;MM274784;C#CCC(C#C)=CC(=C)F;YZEQIHUDTYWPNN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274785;MM274785;CC=CC(=CC(C)C)CN;DYLZWRDRPRSAPI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274786;MM274786;CC(N)C=C(C=CF)CO;NJGKRRSECTUOFE-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274787;MM274787;CC=CC(=CC(C)O)CN;ZRHZCQGLAGRYPM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274788;MM274788;CC=CC(=CC(C)O)CF;AWVAEDRAQQKLGU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274789;MM274789;CC=CC(=CC(C)F)CN;DNXXTVMEWAKXEX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274790;MM274790;CC=CC(=CC(C)F)CO;GLNSHMMWWAEYLT-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274791;MM274791;CC=CC(=CC(F)F)CC;VJJBOKYGGSQDJR-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274792;MM274792;CC=CC(=CC(F)F)CN;DNFJKNBNHZTEJT-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274793;MM274793;NCC(C=CF)=CC(F)F;YLOWWVUMPZUJLK-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274794;MM274794;COC(C=CF)=CC(C)N;SEKBVPTWHFYHRT-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274795;MM274795;CC=CC(CC)=NN(C)C;JVLVBRCIJUQNMO-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274796;MM274796;C=CC(C=CC)=CC(C)C;IRCBBFKGULTQRI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274797;MM274797;CC=CC(C=O)=CC(C)C;DXDDCLPBSUDHRQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274798;MM274798;C=CC(C=CC)=CC(C)N;SOKTWGUCQORBAJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274799;MM274799;CCOC(CC(C)O)=NN;YFTZDJOFKYQIBD-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274800;MM274800;CC=CC(C=O)=CC(C)O;SPBFLJXAOCOHHC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274801;MM274801;C=CC(C=CC)=CC(C)F;WEMXYTPENLBKNJ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274802;MM274802;CC(F)C=C(C=O)C=CF;POZRMZXYKZEIOP-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274803;MM274803;CC=CC(C=O)=CC(F)F;IIRNECLOJGZXTA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274804;MM274804;O=CC(C=CF)=CC(F)F;VZIMSZDOKUMAOA-UHFFFAOYSA-N;150.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274805;MM274805;CC=CC(C=O)=CN(C)C;VSJVRNDFKSZCEE-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274806;MM274806;CC=CC(C#N)=CN(C)C;ANEMOQJEVRFMQS-UHFFFAOYSA-N;136.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274807;MM274807;C=CC(C=CC)=NN(C)C;VRCXZIIYDKFJLC-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274808;MM274808;CC=CC(C#N)=NN(C)C;FTXKOCLVWXHOLK-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274809;MM274809;C=CC(C=NO)=NN(C)C;IVSTZMJJEMOTPI-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274810;MM274810;C#CC(C=CC)=CC(C)C;CBYMUCKQBKGMOB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274811;MM274811;C#CC(C=CC)=CC(C)N;RULVNEVMMVGYED-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274812;MM274812;NN=CCCCOC(N)=O;HKAUFEKSWDIRKK-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274813;MM274813;C#CC(C=CC)=CC(F)F;DQWMLSZKUYHMJX-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274814;MM274814;C#CC(C=NO)=CC(C)N;MHSQPMFJLGQUMO-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274815;MM274815;C=C(C)C=C(C=CF)CN;MQNJHPZEZYSHPU-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274816;MM274816;CNN=CCCOC(N)=O;KEMXJIVVMLNBHE-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274817;MM274817;CC=CC(=CC(C)=O)CC;VOUADIKPSYXULJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274818;MM274818;CC=CC(=CC(=N)N)CC;KOXCJWMPEZCZTI-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274819;MM274819;CC=CC(=CC(N)=O)CN;XJDQDZYDADADHB-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274820;MM274820;C=C(F)CON=CCC=O;DJGPDXIISLAIJC-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274821;MM274821;CC=CC(=CC(=O)O)CC;ILYBLGRNXZENSO-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274822;MM274822;C=C(F)C=C(C=CC)CC;YYMBWPMLMYKZCS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274823;MM274823;C=C(F)C=C(C=CC)CN;ZWMWHZOXUQKDSX-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274824;MM274824;C=C(F)C=C(C=CF)CN;ISZJODSCZOAFNP-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274825;MM274825;CCC(C=NN)=CC(=N)N;WCKAUZXSGWXWSQ-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274826;MM274826;CCC(C=NO)=CC(N)=O;NWEACUOCMZVDIU-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274827;MM274827;C=C(F)C=C(C=NO)CN;RCRIMSVAWIEVHU-UHFFFAOYSA-N;144.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274828;MM274828;C=C(F)C=C(C=NO)CO;FRABXNPYIYAWAE-UHFFFAOYSA-N;145.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274829;MM274829;CC=CC(=CC(=N)N)NC;JRRVJUFUEZSZQT-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274830;MM274830;CNC(C=NO)=CC(C)=O;YOQBARPGSCPALZ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274831;MM274831;CNC(C=NN)=CC(=N)N;NMRBKEOKOAHIKV-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274832;MM274832;CNC(C=NO)=CC(=N)N;KAWUTZNZPYVGMY-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274833;MM274833;C=CC(C=CC)=CC(=C)C;RQPOUQDLFUOVSS-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274834;MM274834;C=C(C)C=C(C=O)C=CC;UFIPZYILRBOQPX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274835;MM274835;C=CC(C=CC)=CC(C)=O;JAQWNOPNBKGMKA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274836;MM274836;CC=CC(C=O)=CC(C)=O;BOMFHSKQEIHPGX-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274837;MM274837;C=CC(C=CC)=CC(=N)N;VKGYTWZKGUBGPG-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274838;MM274838;CC=CC(C#N)=CC(=N)N;NZIRPLYYLWGGLA-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274839;MM274839;C#CCC(=O)CNCC#N;DMIXTHMRAIXWIJ-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274840;MM274840;CCON=CC(F)=CCO;SQDKIOFBXVRATN-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274841;MM274841;C=CC(C=CC)=CC(=O)O;ROWHPOMYKPICOR-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274842;MM274842;CC1(C(=O)O)CC1CC=O;DNROSMKWVQZZLE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274843;MM274843;C=CC(C=CC)=CC(=C)F;QVKCXBCPPCLBPD-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274844;MM274844;C=C(F)C=C(C=O)C=CC;WWZSQFTVUSCTPS-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274845;MM274845;C=C(F)C=C(C=O)C=CF;UACHDQWUTCAOSS-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274846;MM274846;CC1OC1CC(=O)O;GQIWAJFJHVXXBY-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274847;MM274847;C#CC(C=CC)=CC(=N)N;BJHHLPOWHBEXIM-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274848;MM274848;C#CC(C=CC)=CC(=O)O;WEMYANXAMKRIHR-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274849;MM274849;C#CC(C=CC)=CC(=C)F;SWOWMOZOGIGTSO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274850;MM274850;COC(C(=O)O)C(C)C;CRNWYNSIQHMCOB-UHFFFAOYSA-N;132.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274851;MM274851;CC(C)(C)C(O)C(=O)O;FWVNWTNCNWRCOU-UHFFFAOYSA-N;132.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274852;MM274852;CC#CC(=CC(C)C)CC;SJWBNSHZCDFDRL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274853;MM274853;CC#CC(=CC(C)C)CO;QYXDDRUVLXKFHK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274854;MM274854;CC#CC(=CC(C)N)CC;KRZBFZLXQQYQDM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274855;MM274855;CC#CC(=CC(C)N)CN;MAGOPIQKTMKELP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274856;MM274856;CC#CC(=CC(C)O)CC;BSDFBTSHYGCNMK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274857;MM274857;CC#CC(=CC(C)F)CC;QFEUSMCHBOXUGZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274858;MM274858;CC#CC(=CC(C)F)CO;RQPFGHRQNVORPV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274859;MM274859;CC#CC(=CC(C)O)OC;PYKPZFGKDPZRCF-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274860;MM274860;CC#CC(=CC(F)F)OC;RUSFUAIBPGAVLU-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274861;MM274861;CON=C(C)C(F)=CCO;ZFYHTRFRDXGODB-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274862;MM274862;CC#CC(=NN(C)C)OC;PCHWUJLVRRNOCQ-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274863;MM274863;CC#CC(C#N)=CC(C)F;MMCWXGQEYTUIOU-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274864;MM274864;C=CC(C#CC)=CC(F)F;XEAQFKLDJODYLW-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274865;MM274865;CC#CC(C#N)=CC(F)F;LTLXSTFRBVKUBD-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274866;MM274866;CC#CC(C#N)=CN(C)C;QFOLLVUTBJSBRY-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274867;MM274867;C=CC(C#CC)=NN(C)C;NZTBASOWHHKSLV-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274868;MM274868;CC#CC(C#N)=NN(C)C;VIIYCXUQQCNFAA-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274869;MM274869;C#CC(C#CC)=CC(C)N;LSYSUPOROIWAJI-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274870;MM274870;C#CC(C#CC)=CC(C)O;YBIZHWIIMAGVKM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274871;MM274871;C#CC(C#CC)=CC(C)F;WQSSDUYWJSAWPN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274872;MM274872;C#CC(C#CC)=CC(F)F;FWQFYVZVPFALEV-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274873;MM274873;C#CC(C#CC)=NN(C)C;YCKVXCMQPGTTIL-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274874;MM274874;C=C(C)C=C(C#CC)CC;DDCJWAAAMSUWEZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274875;MM274875;C=C(C)C=C(C#CC)CO;VKPMOAURNQCNFH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274876;MM274876;CC#CC(=CC(C)=O)CC;DJZDCZZQCVYDTG-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274877;MM274877;CC#CC(=CC(C)=O)CO;HQSUVMVMLMVVER-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274878;MM274878;CC#CC(=CC(=N)N)CC;JVWNMGOVJUSSDT-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274879;MM274879;CC#CC(=CC(=N)N)CN;SRGHPZAWMNNSEK-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274880;MM274880;CC#CC(=CC(N)=O)CN;AMEQIPFXAFVNNU-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274881;MM274881;N#CC(=O)OC(CF)=NO;XFJFLROMLUEXJA-UHFFFAOYSA-N;146.08;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274882;MM274882;C=C(F)C=C(C#CC)CO;VRGDXENLQQICLR-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274883;MM274883;C=C(C)C=C(C#CC)OC;NLPCMOJQYXTZHX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274884;MM274884;CC#CC(=CC(=N)N)OC;GVCYHDHZXVGSAD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274885;MM274885;CNC(C#N)C(F)C(C)=O;DGQCLUXXXFTIMH-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274886;MM274886;CCONC(=O)C(C)O;AMQDVYDRUDLKNL-UHFFFAOYSA-N;133.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274887;MM274887;C=CC(C#CC)=CC(=C)C;ONEKTHGYOVZTIA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274888;MM274888;C=C(C)C=C(C#N)C#CC;FVOROYZPKUYBMD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274889;MM274889;C=CC(C#CC)=CC(C)=O;XSEFELYQYHMHBQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274890;MM274890;CC#CC(C#N)=CC(C)=O;OUWMWZNVSZSGTB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274891;MM274891;C=CC(C#CC)=CC(=N)N;UYDBQCPXTFBWGU-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274892;MM274892;CC#CC(C#N)=CC(=N)N;ZYRJMZGIAARRRJ-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274893;MM274893;N=C(C=O)NCC(=O)CF;BFEUPEGTUOPNCD-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274894;MM274894;CC#CC(C#N)=CC(N)=O;QKKYECHRPMKTKM-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274895;MM274895;C=CC(C#CC)=CC(=O)O;NZFMCVLWZLETMX-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274896;MM274896;CC#CC(C#N)=CC(=O)O;DKUIECNXQKNELN-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274897;MM274897;C#CC(C#CC)=CC(=C)C;BCZYPOGXSDEIOG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274898;MM274898;C#CC(C#CC)=CC(C)=O;VTSTYOWTWCLICC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274899;MM274899;C#CC(C#CC)=CC(=O)O;VVDBZTQRHYHLTK-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274900;MM274900;C#CC(C#CC)=CC(=C)F;MZEQWLYSLYQUQA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274901;MM274901;CC(N)CC(CN)C(C)C;DMISRCFJJVHZCU-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274902;MM274902;CC(O)CC(CN)C(C)C;VIAOVIXNNWEJAN-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274903;MM274903;CC(O)CC(CO)C(C)C;GVBPPHRWPUZNJZ-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274904;MM274904;CC(O)CC(CF)C(C)C;CKEFNXNCWZBCCK-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274905;MM274905;CC(F)CC(CN)C(C)C;CAPMDCSRIDARTF-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274906;MM274906;CC(F)CC(CO)C(C)C;DBKCOUFFOHZKAZ-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274907;MM274907;CC(F)CC(CF)C(C)C;OYGJKIAHRBEXTP-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274908;MM274908;CC(C)C(CO)CC(F)F;AHEXIQYEMPTVLK-UHFFFAOYSA-N;152.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274909;MM274909;CC(C)CC(CF)C(C)N;VVWLIUADVPEEPU-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274910;MM274910;CC(O)CC(CN)C(C)N;ZPMHGFKXGNWGHW-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274911;MM274911;CC(F)CC(CF)C(C)N;DYKYCLRVMCWREO-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274912;MM274912;CC(C)CC(CF)C(C)O;GUBWVCYNFBLSOT-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274913;MM274913;CCC(CC(C)N)C(C)O;SWZVQURHHIGYLI-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274914;MM274914;CC(N)CC(CN)C(C)O;PPEZDJVMSYSMFT-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274915;MM274915;CC(N)CC(CF)C(C)O;QSGBWACCJOWVBK-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274916;MM274916;CCC(CC(C)O)C(C)O;KOCRQAWVMQLLPN-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274917;MM274917;CC(F)CC(CN)C(C)O;KOBBYNCOPJVGKN-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274918;MM274918;CC(F)CC(CF)C(C)O;PZQPWKFKQNWADS-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274919;MM274919;CCC(CC(F)F)C(C)O;DZTAGMRFXRFFIZ-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274920;MM274920;CCC(CC(C)N)C(C)F;KXUXLHGRMVEMLI-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274921;MM274921;CC(N)CC(CF)C(C)F;DQCSNMPXMVYSTQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274922;MM274922;CCC(CC(C)O)C(C)F;QYFBSEIKQJUTRU-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274923;MM274923;CC(O)CC(CN)C(C)F;QJENOSGTSSRQRJ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274924;MM274924;CC(O)CC(CO)C(C)F;ZSVNWTKTUOHEFW-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274925;MM274925;CC(O)CC(CF)C(C)F;RFADBVNMUGTKDO-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274926;MM274926;CC(F)CC(CO)C(C)F;XXRYHHLDNGEWSW-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274927;MM274927;CCC(CC(F)F)C(C)F;GDFKQVJCPMNARF-UHFFFAOYSA-N;154.18;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274928;MM274928;CC(F)C(CF)CC(F)F;HOMLTUDRUPUVIA-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274929;MM274929;CC(N)CC(CF)C(F)F;YQWNGEHFAONLGM-UHFFFAOYSA-N;155.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274930;MM274930;CC(O)CC(CF)C(F)F;APAXNTGYSJUTPN-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274931;MM274931;CC(F)CC(CO)C(F)F;SILVJWPRAYZULQ-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274932;MM274932;NCC(CC(F)F)C(F)F;MXGFKCPBKBWPLN-UHFFFAOYSA-N;159.13;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274933;MM274933;OCC(CC(F)F)C(F)F;GFYUFOLFNSAWPC-UHFFFAOYSA-N;160.11;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274934;MM274934;CNC(CC(C)C)C(C)C;KIFGKRDIZOVEKK-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274935;MM274935;CNC(CC(C)N)C(C)C;PSLDYINIRUQPNI-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274936;MM274936;CNC(CC(C)O)C(C)C;SZJDQBSCNPSCOW-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274937;MM274937;CNC(CC(C)F)C(C)C;OKFVEXKRNFTAEL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274938;MM274938;CNC(CC(F)F)C(C)C;JXELYHKPSRXZCD-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274939;MM274939;CNC(CC(C)N)C(C)F;GBPKPJLWDNUZDW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274940;MM274940;CNC(CC(C)F)C(C)F;SVNSVWWWDHMQIH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274941;MM274941;CNC(CC(F)F)C(C)F;JUSACEMLNDHXHC-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274942;MM274942;CNC(CC(C)N)C(F)F;GREZZTFBRGAXFI-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274943;MM274943;COC(CC(C)O)C(C)C;BNUOEFAWFPGSNO-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274944;MM274944;COC(CC(C)O)C(C)F;WBTBJWFPXVCXJE-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274945;MM274945;CC(C)NC(CF)C(C)C;OMPRDPOFSWSCDI-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274946;MM274946;CC(C)OC(CO)C(C)N;VMFGWRZLUHPGDB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274947;MM274947;CC(C)OC(CO)C(C)O;QFJFIYVZNINHIB-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274948;MM274948;CC(C)OC(CO)C(C)F;FYMASLTWESNHID-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274949;MM274949;CC(C)C(CO)CN(C)C;WQSOTAYNWGNKKQ-UHFFFAOYSA-N;145.25;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274950;MM274950;CC(C)C(CF)CN(C)C;UNMLKCAWNKCFFY-UHFFFAOYSA-N;147.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274951;MM274951;CCC(CN(C)C)C(C)N;QZKJKTIQSUYPPL-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274952;MM274952;CC(N)C(CN)CN(C)C;OQYLCAGEGVMJJM-UHFFFAOYSA-N;145.25;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274953;MM274953;CC(O)C(CO)CN(C)C;KMKVHYKZOAEDEV-UHFFFAOYSA-N;147.22;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274954;MM274954;CCC(CN(C)C)C(C)F;BYGRIYZQGDFYJA-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274955;MM274955;CC(F)C(CO)CN(C)C;XRILTPOHMXUVIM-UHFFFAOYSA-N;149.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274956;MM274956;CC(F)C(CF)CN(C)C;NCOFRHIJEVBAPZ-UHFFFAOYSA-N;151.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274957;MM274957;CN(C)CC(CN)C(F)F;JOFPNFNNSRTOLT-UHFFFAOYSA-N;152.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274958;MM274958;CCN(CC(C)N)C(C)C;OMKWMKVPHXKBJV-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274959;MM274959;CCN(CC(C)O)C(C)C;FUKORSRAQVLWJW-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274960;MM274960;CC(C)CC(C=O)C(C)C;KKMKRUNCUTXQPX-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274961;MM274961;C=CC(CC(C)N)C(C)C;PNAWDWLVFFXJPO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274962;MM274962;C#CC(F)C=CC(=O)NC;PXQYGYXCUZWEHD-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274963;MM274963;CC(O)CC(C=O)C(C)C;FBXXFFVBUMRECF-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274964;MM274964;CC(O)CC(C#N)C(C)C;UPRVJYLPEHBBDO-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274965;MM274965;CC(F)CC(C=O)C(C)C;XSZVSBBZFMTHAP-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274966;MM274966;C=CC(CC(F)F)C(C)C;XFPITUDLOKQINN-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274967;MM274967;C=CC(CC(C)F)C(C)N;LLKUWWBQWYDUHM-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274968;MM274968;C=CC(CC(F)F)C(C)N;WYPPTPIKQYMEKX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274969;MM274969;CC(F)CC(C=O)C(C)O;LWWNCQZFNNNKAT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274970;MM274970;C=CC(CC(F)F)C(C)O;DNSOZIZNCPLKDV-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274971;MM274971;CC(O)C(C#N)CC(F)F;NSZMKQMUMLPGCZ-UHFFFAOYSA-N;149.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274972;MM274972;CC(C)CC(C=O)C(C)F;PAOXSXZJYCORNT-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274973;MM274973;C=CC(CC(C)N)C(C)F;RBWNWURPAHEGHG-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274974;MM274974;C=CC(CC(C)O)C(C)F;OOFQICGPFNPDIE-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274975;MM274975;CC(O)CC(C#N)C(C)F;ZTTUIGWLAGVMKH-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274976;MM274976;C=CC(CC(C)F)C(C)F;PAUJJBDWXMZGER-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274977;MM274977;CC(F)C(C=O)CC(F)F;WSIZNSUCTSVRAT-UHFFFAOYSA-N;154.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274978;MM274978;C=CC(CC(C)C)C(F)F;SSSHHNJJIBURQM-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274979;MM274979;C=CC(CC(C)N)C(F)F;MCXFWNFUJYGEJX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274980;MM274980;C=CC(CC(C)O)C(F)F;CXKOIYQQVZIKQL-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274981;MM274981;C=CC(CC(C)F)C(F)F;HPTAHDAPBACVKH-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274982;MM274982;C=CC(CC(F)F)C(F)F;UNTGLJWFCDJODI-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274983;MM274983;C=CC(NC(C)C)C(C)C;GZCVUFBXCSUQFX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274984;MM274984;CC(C)NC(C=O)C(C)C;CXYDGVJYLABPNM-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274985;MM274985;CC(C)NC(C#N)C(C)C;UXLIUPIASIDEEY-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274986;MM274986;CC(C)OC(C#N)C(C)O;VYLXKKUQJSBDPO-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274987;MM274987;C=CC(CN(C)C)C(C)C;WWBBLODEQMMNNG-UHFFFAOYSA-N;141.26;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274988;MM274988;CC(C)C(C=O)CN(C)C;PONWAGPJEBWVBS-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274989;MM274989;C=CC(CN(C)C)C(C)N;WYRQZAVBLZJHCT-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274990;MM274990;C=CC(CN(C)C)C(C)F;RGTNUZWDEFFOAX-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274991;MM274991;CN(C)C(C#N)CC(F)F;RKBZDCNLUWTFJH-UHFFFAOYSA-N;148.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274992;MM274992;C=CC(CN(C)C)N(C)C;YTDDJZZQRGNWRT-UHFFFAOYSA-N;142.25;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274993;MM274993;CN(C)CC(C#N)N(C)C;GNYXICWTTHKPNU-UHFFFAOYSA-N;141.22;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274994;MM274994;CC(C)CN(C=N)C(C)C;AMOIUMOFAGEDTH-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274995;MM274995;CC(C)CN(C=O)C(C)C;VIAAQPNSZMEEHQ-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274996;MM274996;CC(C)N(C=O)CC(F)F;ZVVXLBQGGZHADP-UHFFFAOYSA-N;151.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274997;MM274997;C=NN(CC(C)C)C(C)C;GKXCDGGSKOOQQG-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274998;MM274998;C#CC(CC(C)N)C(C)C;AVPBCCKAVKKMJI-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM274999;MM274999;CC(CO)CC(CF)=NN;NGFJNZXYWULPIP-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275000;MM275000;C#CC(CC(C)F)C(C)N;LLARFNIHUQVLRP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275001;MM275001;C#CC(CC(C)O)C(C)O;SBRPFKQWJNPLII-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275002;MM275002;C#CC(CC(C)N)C(C)F;YYSLDCWSBVJWDP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275003;MM275003;C#CC(CC(C)N)C(F)F;AZRDZKIXQFOCAD-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275004;MM275004;C#CC(CC(C)F)C(F)F;BTCHECFAEPKNSP-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275005;MM275005;C#CC(CC(F)F)C(F)F;SATGGIAGRYYSDD-UHFFFAOYSA-N;154.11;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275006;MM275006;C#CC(NC(C)C)C(C)O;NJGHXGMTQVPPFZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275007;MM275007;C#CC(CN(C)C)C(C)O;NDVMZOSFUHKVDI-UHFFFAOYSA-N;141.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275008;MM275008;C#CC(CN(C)C)C(C)F;OTDBLVHXKOVKLI-UHFFFAOYSA-N;143.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275009;MM275009;C#CC(CC(C)N)N(C)C;RMSMAZRSVMGBRK-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275010;MM275010;C=C(C)CC(CF)C(C)C;NVSNYMXXMIWZGL-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275011;MM275011;CC(=O)CC(CO)C(C)C;KVVIPNGENHAHAJ-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275012;MM275012;CCC(CC(=N)N)C(C)C;VPMYVYBGKOTARK-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275013;MM275013;N#CC(F)C(=N)NC=CF;VMWIAAOIGAYCDZ-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275014;MM275014;CC(C)C(CN)CC(N)=O;SLTBRQQHUDCNSQ-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275015;MM275015;CC(C)C(CO)CC(N)=O;NEVCSAXDRFBRFR-UHFFFAOYSA-N;145.2;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275016;MM275016;CCNN=CCC(C)CO;SCYVYNGWVLVIBK-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275017;MM275017;CCC(CC(=O)O)C(C)C;JOTRMYCCALXLNJ-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275018;MM275018;C=C(F)CC(CN)C(C)C;RHCCMRSIYMCCCB-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275019;MM275019;C=C(F)CC(CO)C(C)C;SFOBAKRWLSVLLA-UHFFFAOYSA-N;146.21;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275020;MM275020;C=C(F)CC(CC)C(C)N;QVPAOAAQVWZKIZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275021;MM275021;C=C(F)CC(CF)C(C)N;ALNTVKZZPCDURK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275022;MM275022;C=C(C)CC(CF)C(C)O;YTLNQPNTEAWLCT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275023;MM275023;CCC(CC(=N)N)C(C)O;MYPOZWJIDPDPDH-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275024;MM275024;COCC(O)CC(=O)O;IZMXMDXNRWMDCV-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275025;MM275025;C=C(F)CC(CF)C(C)O;QZKGORRXXAWPTK-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275026;MM275026;C=C(C)CC(CN)C(C)F;YBZGTSHNSJKZDL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275027;MM275027;C=C(C)CC(CO)C(C)F;WEERDZZNIPWBNB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275028;MM275028;C=C(C)CC(CF)C(C)F;KZTGOLLUGBATOH-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275029;MM275029;CC(F)C(CN)CC(=N)N;NBMXWZCLPXNUQY-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275030;MM275030;CC(F)C(CF)CC(=N)N;HBQMRACLJVFWMK-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275031;MM275031;CCON=CCC(C)CO;XLTWQVRCKWRZON-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275032;MM275032;CC(F)C(CN)CC(N)=O;GJZPNECZAVTLDU-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275033;MM275033;CC(F)C(CF)CC(N)=O;ZQSPRPNMTYPAMO-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275034;MM275034;CCC(CC(=O)O)C(C)F;LCIXAIMFKHICKW-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275035;MM275035;CC(F)C(CF)CC(=O)O;BWCNFOOCTDDXIO-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275036;MM275036;C=C(F)CC(CO)C(C)F;MVCJFFSJALPAIG-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275037;MM275037;C=C(F)CC(CF)C(C)F;ODKUQQGXMTYKDX-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275038;MM275038;C=C(C)CC(CN)C(F)F;FYMSZSRQRBCXLB-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275039;MM275039;C=C(C)CC(CF)C(F)F;CSZHMOUOGOTAGY-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275040;MM275040;CCC(CC(N)=O)C(F)F;YTDWYOFQZFVBIF-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275041;MM275041;NC(=O)CC(CO)C(F)F;LBYIRXFPKKLXRP-UHFFFAOYSA-N;153.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275042;MM275042;C=C(C)CC(NC)C(C)C;LVOWGKFGSKBNFF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275043;MM275043;CNC(CC(=N)N)C(C)C;TUASUXFFURHBMK-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275044;MM275044;CNC(CC(N)=O)C(C)C;FPAPJYPQUFAHHW-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275045;MM275045;C=C(F)CC(NC)C(C)C;IHKPYUHHPDBIQA-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275046;MM275046;C=C(C)CC(NC)C(C)F;CSCFQONBKGYYLJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275047;MM275047;CNC(CC(=N)N)C(C)F;UGIGZHBFPGJYLT-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275048;MM275048;C=C(F)CC(NC)C(C)F;OFJVHIYJLHRIDA-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275049;MM275049;COC(CC(=N)N)C(C)C;HKXNDERWMDZTJR-UHFFFAOYSA-N;144.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275050;MM275050;COC(CC(N)=O)C(C)F;WVJDZQBYYFSXFN-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275051;MM275051;C=CC1(O)CC1C(=O)O;IQUQEYACTJJWBS-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275052;MM275052;CCC(NC(C)=N)C(C)C;CYCFRNBBCSRHPT-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275053;MM275053;CC(=N)NC(CN)C(C)C;GVPGCLNOGGDCIB-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275054;MM275054;CC(=N)NC(CO)C(C)C;ZKRLCFBTCVKTQN-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275055;MM275055;CC(CO)CC=NOC=O;LALDJGGUUATNLU-UHFFFAOYSA-N;145.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275056;MM275056;CC(=O)NC(CO)C(C)C;ILDSDBHYULTMIZ-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275057;MM275057;CC(=O)NC(CF)C(C)C;CUXAYHXAEPAOJY-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275058;MM275058;CCC(NC(=N)N)C(C)C;ZPWDCDLZZMIBRP-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275059;MM275059;CCC(NC(C)=O)C(C)O;KZCHQCNMSQAODB-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275060;MM275060;CC(=N)NC(CN)C(C)F;BSZNCYLBSUJQRX-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275061;MM275061;CC(=N)NC(CO)C(C)F;RFVVSSUBOYWMTB-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275062;MM275062;CC(=N)NC(CF)C(C)F;QHNMVRBJURDWFS-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275063;MM275063;CCC(NC(C)=O)C(C)F;WZCAASQNFHXADY-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275064;MM275064;CC(=O)NC(CF)C(C)F;XUCNRWYTIXRRKO-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275065;MM275065;CCC(NC(=N)N)C(C)F;OMWWZEOFQOSWJT-UHFFFAOYSA-N;147.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275066;MM275066;CC(F)C(CF)NC(=N)N;GQBCYRKXNSEGRZ-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275067;MM275067;N=C(N)NC(CN)C(F)F;UIGRGQZOKDTVFM-UHFFFAOYSA-N;152.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275068;MM275068;NC(=O)NC(CO)C(F)F;VIRRCIGGRBDSTE-UHFFFAOYSA-N;154.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275069;MM275069;C=C(C)OC(CF)C(C)C;IBHFKBUDCDWCHC-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275070;MM275070;CCC(OC(=N)N)C(C)C;WNHUOGODHIHHDV-UHFFFAOYSA-N;144.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275071;MM275071;CC(C)C(CN)OC(=N)N;BEBXWAKJDZADEE-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275072;MM275072;CC(C)C(CO)OC(=N)N;ISENKNPFSVSGAD-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275073;MM275073;CCC(OC(N)=O)C(C)C;SWLXHONZWPNIDN-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275074;MM275074;C=C(C)OC(CF)C(C)N;JRCOPOHFMACHTD-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275075;MM275075;CC(=O)OC(CF)C(C)N;DXZMVXORPRTCEG-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275076;MM275076;CCC(OC(=N)N)C(C)N;JKHOSPQTRUCORV-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275077;MM275077;C=C(C)OC(CO)C(C)O;JYWQQALAIOHPIS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275078;MM275078;CC(=O)OC(CO)C(C)O;ATCMCKQZFMKPOS-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275079;MM275079;CC(=O)OC(CF)C(C)O;DJLOMRVKXNSGOS-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275080;MM275080;CCC(OC(=N)N)C(C)O;SXENPDXDIFRVIR-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275081;MM275081;CCC(OC(N)=O)C(C)O;BNPAZCAJUKSQJJ-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275082;MM275082;CCC(OC(=N)N)C(C)F;DOIICFIVEURQEK-UHFFFAOYSA-N;148.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275083;MM275083;CC(F)C(CO)OC(N)=O;PLKUSTDHQZZDTK-UHFFFAOYSA-N;151.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275084;MM275084;N=C(N)OC(CO)C(F)F;RVYZLMLWZCNCHR-UHFFFAOYSA-N;154.12;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275085;MM275085;C=C(C)OC(OC)C(C)N;BCQCSERQQNNDEB-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275086;MM275086;COC(OC(=N)N)C(C)N;FCJJGARIVIPACS-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275087;MM275087;COC(OC(=N)N)C(C)O;FWZRLNAQVJDSEA-UHFFFAOYSA-N;148.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275088;MM275088;COC(OC(N)=O)C(C)O;HMAAQPIBEAGXMV-UHFFFAOYSA-N;149.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275089;MM275089;COC(OC(N)=O)C(F)F;KXKWAVYRDUEOQK-UHFFFAOYSA-N;155.1;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275090;MM275090;CCC(CC(C)=O)N(C)C;ITUVUVVSJIHHDM-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275091;MM275091;C=C(C)CN(CC)C(C)C;JGKPUHXTYYLNTF-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275092;MM275092;CNC(=O)C=CNCCO;JWLUNSPJWNMRQF-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275093;MM275093;CCN(NC(=N)N)C(C)C;RNKGHGSNZVTARI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275094;MM275094;C=CC(CC(C)=O)C(C)C;XZMMWNBNKWMCDJ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275095;MM275095;CC(=O)CC(C=O)C(C)C;INLUOKFLFCQUFP-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275096;MM275096;C=CC(CC(=N)N)C(C)C;PHPUZJLDIGYVHF-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275097;MM275097;CC(C)C(C=O)CC(=N)N;QYZABXDIILNBMC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275098;MM275098;CCCNN=CC(=O)CF;ZWTJUKCNWYBIRS-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275099;MM275099;N=CN(CC=NN)C(N)=O;GQZRFCVYEFKJJY-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275100;MM275100;C=CC(CC(=O)O)C(C)C;RRGULVWTHVFCTO-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275101;MM275101;C=CC(CC(=C)F)C(C)C;FXKSIVZTUPUQIW-UHFFFAOYSA-N;142.22;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275102;MM275102;C=C(F)CC(C=O)C(C)C;HWWQWXPKFXVHNY-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275103;MM275103;C=CC(CC(N)=O)C(C)N;PLFWDVHBHARDJO-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275104;MM275104;C=CC(CC(=C)F)C(C)N;CHWSGHVOXDTMGP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275105;MM275105;C=CC(CC(=C)F)C(C)O;QIQHKMKMGDUBDN-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275106;MM275106;CC(=O)CC(C=O)C(C)F;VNAHSHUDSGTTLR-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275107;MM275107;C=CC(CC(=N)N)C(C)F;QKFXIKUJZRAYLS-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275108;MM275108;CC(F)C(C=O)CC(=N)N;FLSMOEFXEJCQOM-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275109;MM275109;Cc1c(N)c(O)n(N)c1N;XLKBPXKLBFISLQ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275110;MM275110;CC(F)C(C=O)CC(N)=O;BRARUYJYFBGBSB-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275111;MM275111;C=CC(CC(=O)O)C(C)F;IDLPEUIAIGVVMY-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275112;MM275112;C=C(F)CC(C=O)C(C)F;KFGORRYTJWGFEH-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275113;MM275113;C=CC(CC(=C)C)C(F)F;WUQJUKNXGOUPQK-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275114;MM275114;C=CC(CC(C)=O)C(F)F;XOTIKWIIBPBMEM-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275115;MM275115;C=CC(CC(=N)N)C(F)F;YJXKLNCUGORPLQ-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275116;MM275116;NC(=O)CC(C=O)C(F)F;FLCITJOGFXJGAL-UHFFFAOYSA-N;151.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275117;MM275117;N#CC(CC(N)=O)C(F)F;WISDJJDRGRVRQR-UHFFFAOYSA-N;148.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275118;MM275118;C=CC(CC(=C)F)C(F)F;AHWJMGDPPYBBQK-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275119;MM275119;C=CC(NC(C)=N)C(C)C;DSRKGCMERFGPNK-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275120;MM275120;CC(N)=NC(C=O)C(C)C;AXSZENRPMOBTFL-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275121;MM275121;Cc1c(N)c(N)n(O)c1C;JDTXOPWMMCWFHN-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275122;MM275122;CC(=O)NC(C#N)C(C)C;UWZRHVFDQICYQA-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275123;MM275123;CC(C)C(C#N)NC(=N)N;DDLWFGCKHQOIIO-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275124;MM275124;CC(C)C(C#N)NC(N)=O;MJSWJIVSZINDDH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275125;MM275125;CC(=N)NC(C#N)C(C)O;ZHSMEQJVHLQUOC-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275126;MM275126;C=CC(NC(C)=O)C(C)O;GZNDEELZBDHXOB-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275127;MM275127;CC(O)C(C#N)NC(=N)N;HWJOAWONBPPSRL-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275128;MM275128;CC(O)C(C#N)NC(N)=O;WHOPJAHFCIOONL-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275129;MM275129;C=CC(NC(C)=O)C(C)F;NWNKZRFMYGSBJR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275130;MM275130;CC(F)C(C#N)NC(=N)N;IXKRHZQZXIJSMB-UHFFFAOYSA-N;144.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275131;MM275131;CC(F)C(C=O)NC(N)=O;RBINNSQQZMVVBR-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275132;MM275132;CC(F)C(C#N)NC(N)=O;KHWJEPVFZCGYNE-UHFFFAOYSA-N;145.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275133;MM275133;CC(=N)NC(C#N)C(F)F;SKBKYXBIZJCWOO-UHFFFAOYSA-N;147.13;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275134;MM275134;CC(=O)NC(C=O)C(F)F;RHYPFWFDDYTUBS-UHFFFAOYSA-N;151.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275135;MM275135;CC(=O)NC(C#N)C(F)F;PPDVIQISUKDQKX-UHFFFAOYSA-N;148.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275136;MM275136;CC(=O)OC(C=O)C(C)C;CORXGLXQUSKBSM-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275137;MM275137;C=CC(OC(=N)N)C(C)C;XAXQTNPHGYCTMO-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275138;MM275138;CC(C)C(C=O)OC(=N)N;POCWJBGDGBFSRW-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275139;MM275139;C=CC(OC(N)=O)C(C)C;CHQARXGIIBNCAQ-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275140;MM275140;C=CC(OC(=N)N)C(C)N;BYLONUZULWXQAV-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275141;MM275141;CC(O)C(C#N)OC(=N)N;SCWVCZBOSCFGQP-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275142;MM275142;CC(O)C(C#N)OC(N)=O;LTBCHRNOWPHFMD-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275143;MM275143;CC(F)C(C=O)OC(=N)N;YHNHVAZQBMUHSI-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275144;MM275144;CC(=O)OC(C#N)C(F)F;HMOZTYLMYKZJLQ-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275145;MM275145;CN(C)C(C=O)CC(=N)N;WXHUJPHHCLFZOR-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275146;MM275146;CN(C)C(C#N)CC(=N)N;NFOWKEIKEDGNGI-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275147;MM275147;C=NNCCC(CC)CO;OPORCFWYEHASGC-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275148;MM275148;CC(C)N(C=N)CC(=N)N;MXSNLBZFLYLOBS-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275149;MM275149;CC(C)N(C=O)CC(=N)N;UOKXKXYZZRMWMJ-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275150;MM275150;C=C(F)CN(C=N)C(C)C;PXJJBTPHQJWGBK-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275151;MM275151;C=NN(CC(=C)C)C(C)C;VDOBHDNGYWHCOB-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275152;MM275152;CC(=O)CN(C=N)N(C)C;SOSZAZUXEJIKRV-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275153;MM275153;C=NOCCC(CC)CO;WHZNRTKVOPNDAC-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275154;MM275154;C#CC(CC(N)=O)C(C)N;CZCBABXXPKKKGN-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275155;MM275155;C#CC(CC(N)=O)C(C)O;RZBMYYXQDDPCKT-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275156;MM275156;C#CC(NC(C)=O)C(C)F;KRMDRGZWTMZFME-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275157;MM275157;C#CC(OC(=N)N)C(C)C;DCJSOGYVBNMKPE-UHFFFAOYSA-N;140.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275158;MM275158;C#CC(OC(C)=O)C(C)O;BMIIOEXXLBHRIP-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275159;MM275159;C#CC(OC(=N)N)C(C)O;CWHDHYVNXIZPBA-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275160;MM275160;C#CC(OC(=N)N)C(F)F;DVBBLLSJBUHGLK-UHFFFAOYSA-N;148.11;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275161;MM275161;C=C(C)C(CN)CC(C)N;LZEOILGGDBNROM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275162;MM275162;C=C(C)C(CF)CC(C)N;VIMJWUBTESGBEY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275163;MM275163;C=C(C)C(CF)CC(C)O;ZEVGNXRLTMTNGX-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275164;MM275164;C=C(C)C(CF)CC(F)F;OPFGVRMOKNVZJY-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275165;MM275165;CC(=O)C(CO)CC(C)O;BIICHXFOCQJBNN-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275166;MM275166;CC(N)CC(CF)C(=N)N;WRCYYBUKRXQMMH-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275167;MM275167;CC(O)CC(CF)C(=N)N;ZDIYUXBRMRBLNT-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275168;MM275168;CCC(CC(F)F)C(=N)N;OUWHCRSXYNIDRT-UHFFFAOYSA-N;150.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275169;MM275169;CCC(CO)CC1CN1C;KEIHVJFHXRHYKI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275170;MM275170;CC(C)CC(CF)C(N)=O;NUOULDMZYAQFGR-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275171;MM275171;CC(N)CC(CF)C(N)=O;DNNLHGSDGSGAOY-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275172;MM275172;CC(O)CC(CF)C(N)=O;FGDNVNAQKVNYEF-UHFFFAOYSA-N;149.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275173;MM275173;C=NNC1CCC(CO)C1;VXMCVAKGSUFYEP-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275174;MM275174;CCC(CC(F)F)C(N)=O;XAUXELJODWGWQU-UHFFFAOYSA-N;151.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275175;MM275175;COC(CO)CC(=O)O;MKDKVIRRVXALSJ-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275176;MM275176;CCC(CC(F)F)C(=O)O;VMSVKYPZWCYAEQ-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275177;MM275177;O=C(O)C(CF)CC(F)F;QYARGZWVQNFCDH-UHFFFAOYSA-N;156.1;1.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275178;MM275178;C=C(F)C(CF)CC(C)N;WBHBMSIOCSDOJU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275179;MM275179;C=C(F)C(CF)CC(C)O;PNPZLHLXAVMZRT-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275180;MM275180;C=C(F)C(CO)CC(F)F;LRBOFQIUACOWPM-UHFFFAOYSA-N;154.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275181;MM275181;C=C(C)C(CC(C)C)NC;PQNYKQIDPTWBJV-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275182;MM275182;C=C(C)C(CC(C)F)NC;KBDPNSGVUPLNMM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275183;MM275183;C=C(C)C(CC(F)F)NC;MLSGZFZXUOSKQR-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275184;MM275184;CNC(CC(C)C)C(C)=O;QYNXOJVUBSGDEY-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275185;MM275185;C=C(C)C(CC(C)O)OC;HMOBKAKGRROPSO-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275186;MM275186;C=C(C)C(CC(F)F)OC;MUIDCDAJIDFYGE-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275187;MM275187;COC(CC(C)F)C(C)=O;SELHDXBYUOQONW-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275188;MM275188;COC(CC(F)F)C(C)=O;JUJGVKSFRBAVID-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275189;MM275189;COC(CC(C)N)C(=N)N;BAEDXKONHSLLST-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275190;MM275190;COC(CC(C)O)C(=N)N;KGYRUHGIVFEBII-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275191;MM275191;COC(CC(C)O)C(N)=O;ZRCSFBXZNGZVAK-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275192;MM275192;C=C(F)C(CC(C)N)OC;PYWZHOHLZCFJBZ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275193;MM275193;C=C(F)C(CC(C)O)OC;GNBCJEKXTOPTBJ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275194;MM275194;C=C(C)C(CF)NC(C)C;BCEQESDEBIACOH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275195;MM275195;CC(C)NC(CF)C(=N)N;FHSUHYFGSPKSFD-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275196;MM275196;COC(OC(C)C)C(C)=O;SLGDZDKQXOROKG-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275197;MM275197;COC(OC(C)C)C(=N)N;RUMGPPCEWQDQRL-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275198;MM275198;COC(OC(C)C)C(N)=O;KHOXEWDUNQSYAD-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275199;MM275199;C=C(C)C(CN)CN(C)C;CZMDTOLCPKKOAJ-UHFFFAOYSA-N;142.25;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275200;MM275200;C=C(C)C(CO)CN(C)C;HRNZOIDEXVHVFD-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275201;MM275201;C=C(C)C(CF)CN(C)C;VSKKMJHAEGQUKG-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275202;MM275202;CCC(CN(C)C)C(C)=O;GSXCITKMAKYQGC-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275203;MM275203;CN(C)CC(CO)C(=N)N;FQPQDNMPRAERBM-UHFFFAOYSA-N;145.21;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275204;MM275204;CN(C)CC(CO)C(N)=O;MDLAIZNAGOJITB-UHFFFAOYSA-N;146.19;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275205;MM275205;C=C(C)C(CN(C)C)NC;KVEQSNZHGRPUKA-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275206;MM275206;CNC(CN(C)C)C(=N)N;VXULBDFZINBPMM-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275207;MM275207;COC(CN(C)C)C(=N)N;NCVFMDXYDIDSFP-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275208;MM275208;COC(CN(C)C)C(N)=O;ZINBWBWKYPBMJP-UHFFFAOYSA-N;146.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275209;MM275209;CCN(CC(C)N)C(C)=N;DUDVRBSRMMUURL-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275210;MM275210;CCN(CC(C)C)C(C)=O;XOCQCSYXNGPKFP-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275211;MM275211;CCN(CC(C)O)C(C)=O;WWXNZXXWNHXZQY-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275212;MM275212;CCN(CC(C)F)C(C)=O;ZRWSESXXLSBIHJ-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275213;MM275213;CCN(CC(F)F)C(C)=O;JWPYXHOCVDBUIL-UHFFFAOYSA-N;151.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275214;MM275214;CCN(CC(C)N)C(=N)N;GBUIHRRHIQFACD-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275215;MM275215;CCN(CC(C)O)C(=N)N;UXDKBIDKULUWTJ-UHFFFAOYSA-N;145.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275216;MM275216;CCN(CC(F)F)C(=N)N;QWVFVBMDHPHIMC-UHFFFAOYSA-N;151.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275217;MM275217;CCN(CC(C)N)C(N)=O;JMYUFRUXISVAHP-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275218;MM275218;CCN(CC(C)O)C(N)=O;UJCGGSMTPQXREP-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275219;MM275219;CNN(CC(C)F)C(C)=N;CUEWZAAYAONJRT-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275220;MM275220;CNN(CC(C)N)C(=N)N;RMTFKLYAMKWQTJ-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275221;MM275221;CNN(CC(F)F)C(=N)N;IRVXZSBLNDFQSX-UHFFFAOYSA-N;152.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275222;MM275222;CNN(CC(C)N)C(N)=O;LPWHIWGIVNAKRT-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275223;MM275223;OCC1CC2NC2(CF)C1;NXUJXQVBZJVWRS-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275224;MM275224;CCCCON=CCC=O;AKWUECQWYRGMLX-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275225;MM275225;CON(CC(C)C)C(C)=O;SIIVBVFUZLGLPQ-UHFFFAOYSA-N;145.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275226;MM275226;CON(CC(C)N)C(C)=O;MHDKNWGYWDTCKI-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275227;MM275227;CON(CC(C)F)C(C)=O;JHUAFPOLEGDHRA-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275228;MM275228;CON(CC(C)O)C(=N)N;IXYJHZGEMKMNJB-UHFFFAOYSA-N;147.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275229;MM275229;CON(CC(C)F)C(=N)N;WEIOXTAIYHBXNN-UHFFFAOYSA-N;149.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275230;MM275230;CON(CC(C)O)C(N)=O;VAXVIXVCXCTFAV-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275231;MM275231;CON(CC(C)F)C(N)=O;FCGXRVPHRGXFMK-UHFFFAOYSA-N;150.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275232;MM275232;CCN(NC(C)C)C(C)=N;BSAPKRZNLITBNF-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275233;MM275233;CCN(NC(C)C)C(=N)N;XGBFWHSARCLWHC-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275234;MM275234;C=C(C)C(C=O)CC(C)C;XQDMALAQCBBXTE-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275235;MM275235;C=CC(CC(C)N)C(=C)C;RCWDRNSTHHJRDO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275236;MM275236;O=CCC=NOCCCF;DCWJYCXJXLUXAU-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275237;MM275237;C=C(C)C(C=O)CC(C)O;GAHJRJWJYVIMCG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275238;MM275238;C=C(C)C(C#N)CC(C)O;APBUJQKSOSYGOU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275239;MM275239;C=C(C)C(C=O)CC(C)F;ZWZMFCVLWIVADW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275240;MM275240;C=CC(CC(F)F)C(=C)C;VKZAGSHSXLPQMR-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275241;MM275241;C=CC(CC(C)C)C(C)=O;SNODKQHEUICGSA-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275242;MM275242;C=CC(CC(F)F)C(C)=O;YEWIKZDPBLVEPN-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275243;MM275243;C=CC(CC(C)C)C(=N)N;CRCABHDSGLCZHC-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275244;MM275244;CC(C)CC(C=O)C(=N)N;AQHNEIKDDLWQGK-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275245;MM275245;C=CC(CC(C)N)C(=N)N;JSZZEAFTERPJEF-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275246;MM275246;CC(O)CC(C=O)C(=N)N;XCNZPISMPZXDGL-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275247;MM275247;C=CC(CC(C)F)C(=N)N;RFXMRJQJWAIUIK-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275248;MM275248;CC(F)CC(C=O)C(=N)N;QVTMKGRJTDQLRF-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275249;MM275249;C=CC(CC(F)F)C(=N)N;NUUVNHRULRDRSW-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275250;MM275250;CC(C)CC(C=O)C(N)=O;ZAADADMFKAZPLN-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275251;MM275251;CC(C)CC(C#N)C(N)=O;PJQAIWUMMUVJTR-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275252;MM275252;CC(F)CC(C=O)C(N)=O;HPALQKFGINDQHY-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275253;MM275253;CC(F)CC(C#N)C(N)=O;FXIVILTZBHCBSE-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275254;MM275254;C=C(F)C(C=O)CC(C)C;LCYIWUYQGBCDGL-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275255;MM275255;C=CC(CC(C)O)C(=C)F;GLFCGMPDLFRTPV-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275256;MM275256;C=C(F)C(C=O)CC(C)O;VZHHCTOESHRCSX-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275257;MM275257;C=CC(CC(F)F)C(=C)F;KBXAXLAKUOPQNH-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275258;MM275258;C=C(C)C(C#N)NC(C)C;TXRRNUHFJBRZJL-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275259;MM275259;CC(=O)C(C=O)OC(C)C;QEAOMRPEGRSPPO-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275260;MM275260;CC(C)OC(C#N)C(=N)N;CNYLSNHAPMCGGG-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275261;MM275261;C=CC(OC(C)C)C(N)=O;NIAPVVNGGQHTFR-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275262;MM275262;C=CC(CN(C)C)C(=C)C;OMEFMEQBPBTYKW-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275263;MM275263;CN(C)CC(C=O)C(=N)N;KRJVWXXXOFIPAW-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275264;MM275264;CN(C)CC(C#N)C(=N)N;IGHYGDPRVFJSLB-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275265;MM275265;C=CC(CN(C)C)C(=C)F;CDSUBCOZHDKBCD-UHFFFAOYSA-N;143.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275266;MM275266;C=C(C)N(C=O)CC(C)N;ZSLYUAWSYIATLW-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275267;MM275267;C=CN(CC(C)C)C(C)=N;NQEBMJFFSHUGAE-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275268;MM275268;CC(=N)N(C=O)CC(C)C;YIEOPPWQSRNCCB-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275269;MM275269;C=CN(CC(C)N)C(C)=N;JZNFZXQQPWGYLB-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275270;MM275270;C=CN(CC(C)O)C(C)=N;FOBHNEGZIICGHL-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275271;MM275271;C=CN(CC(C)F)C(C)=N;ZRCRASWWWMQICP-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275272;MM275272;CC(=N)N(C=O)CC(C)F;RRIRWADWPGHESD-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275273;MM275273;C=CN(CC(C)F)C(C)=O;VEDBNYKPHGOVRM-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275274;MM275274;CC(=O)N(C=N)CC(C)F;XGPOJDSKTHLMPI-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275275;MM275275;C=CN(CC(F)F)C(C)=O;SATMKHPRWIHABS-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275276;MM275276;CC(N)CN(C=N)C(=N)N;FEVNKEUSLHJEIZ-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275277;MM275277;CC(N)CN(C=O)C(=N)N;JZWRUUZMYOHGLB-UHFFFAOYSA-N;144.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275278;MM275278;C=CN(CC(C)O)C(=N)N;HIXICFWSANNFJS-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275279;MM275279;CC(O)CN(C=N)C(=N)N;SCQAXSRKZQTWCR-UHFFFAOYSA-N;144.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275280;MM275280;C=CN(CC(F)F)C(=N)N;NGIUORSOJLTCOA-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275281;MM275281;N=CN(CC(F)F)C(=N)N;IJSZZKZNHAVLAZ-UHFFFAOYSA-N;150.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275282;MM275282;C=CN(CC(C)C)C(N)=O;SQWGQHLCIOIMEV-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275283;MM275283;CC(N)CN(C=N)C(N)=O;BZOSNXUAMZFKKC-UHFFFAOYSA-N;144.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275284;MM275284;COCCON=CCC=O;WAMFCFKXNDAXHL-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275285;MM275285;NC(=O)N(C=O)CC(F)F;RBHKXEJAIMBMAL-UHFFFAOYSA-N;152.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275286;MM275286;C=NN(CC(C)F)C(C)=N;SFAXXIKJOGHLHM-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275287;MM275287;C=NN(CC(F)F)C(C)=N;BEWSMKHCSOHMMQ-UHFFFAOYSA-N;149.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275288;MM275288;C=NN(CC(C)N)C(C)=O;WIJHNPCRYNLBAM-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275289;MM275289;CC=CCON=CCC=O;ZTJLCYYSXRXNQG-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275290;MM275290;O=CCC=NOCC=CF;KROJPMYOHDEUTE-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275291;MM275291;CC(=O)N(C=O)NC(C)C;YAZRKXVRZOGOPI-UHFFFAOYSA-N;144.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275292;MM275292;C#CC(CC(C)N)C(=C)C;CPDXCLVGVBCWTQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275293;MM275293;C=NN1CCC(CO)CC1;TZNZHFBXXADXQD-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275294;MM275294;C#CC(CC(F)F)C(=C)C;NCGIRBXMMIKJHH-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275295;MM275295;C#CC(CC(C)C)C(C)=O;MYUHAVWVXBCANK-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275296;MM275296;C#CC(CC(C)F)C(C)=O;SBGMNBPFLGADKF-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275297;MM275297;C#CC(CC(F)F)C(C)=O;YAGPLFXNNNGRAG-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275298;MM275298;C#CC(CC(C)O)C(=C)F;NDEVSWJZJYNYBP-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275299;MM275299;C#CC(CN(C)C)C(=N)N;MTKGMQKWKCQDMP-UHFFFAOYSA-N;139.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275300;MM275300;C=C(C)C(CF)CC(C)=O;AZTMBYBJYYRRBP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275301;MM275301;C=C(C)C(CC)CC(=N)N;FFLNCVFZWLRBKR-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275302;MM275302;C=C(C)C(CN)CC(=N)N;QPNYRPAKYPMRHK-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275303;MM275303;C=C(C)C(CO)CC(N)=O;JPCMZAHRZIIFRM-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275304;MM275304;C=C(C)C(CF)CC(=O)O;HITBNZDRWSBISN-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275305;MM275305;C=C(C)CC(CF)C(C)=O;ZXJOHYWNLUNJIK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275306;MM275306;CCC(CC(C)=O)C(C)=O;PYXFYLDTQFWCCK-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275307;MM275307;CC(=O)C(CO)CC(=N)N;FJIYPLRFGWFKBU-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275308;MM275308;CC(=O)C(CO)CC(N)=O;OACMJNMFEXBBSU-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275309;MM275309;CC(O)C(=CC(=O)O)CO;QORDFHHPWGJGCH-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275310;MM275310;C=C(CNC(C)=O)C(=O)O;FEYZSSIBGAKZQC-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275311;MM275311;N#CC#CC(CF)=NO;KCRSAZDRZOOZGF-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275312;MM275312;C=C(C)CC(CC)C(=N)N;HUAAZKRJRILDQG-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275313;MM275313;C=C(C)CC(CN)C(=N)N;WPIZABLDDCYPNK-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275314;MM275314;C=C(F)CC(CN)C(=N)N;GAXLHIPZYOOYSJ-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275315;MM275315;C=C(F)CC(CO)C(=N)N;CUJXNMOATOQQIM-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275316;MM275316;CCN1C2CC(CO)CC21;WMOMXBMBZWKCEX-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275317;MM275317;CCC(CC(=N)N)C(N)=O;CEBNSOMJRRFIMV-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275318;MM275318;CCC(CC(N)=O)C(N)=O;FAOGONFKEPFONJ-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275319;MM275319;N#CCC(=NO)C(O)C=O;DQKDXGIAHQGWOL-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275320;MM275320;C=C(F)CC(CO)C(N)=O;NBPUZLDAUZHXAQ-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275321;MM275321;C=C(C)CC(CF)C(=O)O;YWBJHVSHSBABOU-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275322;MM275322;C=C(F)C(CC)CC(=N)N;NNVXRINNWBDLOB-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275323;MM275323;C=C(F)C(CO)CC(=N)N;NYCPWEJYQWMHLA-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275324;MM275324;C=C(F)C(CN)CC(N)=O;QQQKVPUEFPRJAK-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275325;MM275325;C=C(F)C(CF)CC(N)=O;VKWSLYOSLDOTHI-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275326;MM275326;C=C(C)CC(NC)C(=C)C;IWMZOFBUTRWNLM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275327;MM275327;C=C(C)C(CC(=N)N)NC;LGJXZCZOFITDTK-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275328;MM275328;C=C(F)CC(NC)C(=C)C;OEVMNPJABZDZHG-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275329;MM275329;C=C(C)CC(NC)C(C)=O;METYCTMKKRQCFT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275330;MM275330;CNC(CC(=N)N)C(C)=O;BOKBNMRNDWTANW-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275331;MM275331;C=C(C)CC(NC)C(=N)N;YMEDMOKFTJNKBV-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275332;MM275332;C=C(F)CC(NC)C(N)=O;KWPKSHOIYHYABC-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275333;MM275333;C=C(F)C(CC(=N)N)NC;RUKRNYNAEHFYPP-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275334;MM275334;COC(CC(=N)N)C(=N)N;PNWHPFZPTOEKTG-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275335;MM275335;COC(CC(C)=O)C(N)=O;FEUZBUMYJHDCIX-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275336;MM275336;C=CC(C)NN=CC(=O)O;WMMAMJWEFPLZPY-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275337;MM275337;C=C(C)C(CN)NC(C)=N;RVANSKYZLXAZLM-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275338;MM275338;C=C(C)C(CF)NC(C)=N;RSQHVENVYBFGRS-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275339;MM275339;C=C(C)C(CF)NC(C)=O;HHKSJKNRRQFELO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275340;MM275340;C=C(C)C(CC)NC(=N)N;RZPJDOCZQGEJES-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275341;MM275341;CCC(N=C(C)N)C(C)=O;PNCUIQAMTYTRAR-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275342;MM275342;CC(=N)NC(CF)C(C)=O;PNZVYJRIWISCRM-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275343;MM275343;CC(=N)NC(CO)C(=N)N;DOHVGTZPIUMVHQ-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275344;MM275344;N=C(N)NC(CO)C(=N)N;RAKDPVVRUSLLLR-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275345;MM275345;C=C(F)C(CN)NC(C)=N;QBYPWENYYWYPLJ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275346;MM275346;C=C(F)C(CN)NC(C)=O;WMTQYLXOFDQRQP-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275347;MM275347;C=C(F)C(CO)NC(C)=O;ZZVPPKYBIUTPOQ-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275348;MM275348;C=C(C)C(CN)OC(=N)N;GCJVYANNDSEESS-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275349;MM275349;C=C(C)C(CF)OC(=N)N;KZGMSZHMYFTLBX-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275350;MM275350;C=C(C)C(CC)OC(N)=O;RUHWOFAIPZLYKA-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275351;MM275351;C=C(C)C(CO)OC(N)=O;LVTVVACNDCVMNO-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275352;MM275352;C=C(C)C(CF)OC(N)=O;KAVRZNBELYEDRE-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275353;MM275353;CCC(OC(=N)N)C(C)=O;WYLQXAFJMZBBQY-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275354;MM275354;CC(=O)C(CF)OC(=N)N;KFUUATXGXMAODQ-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275355;MM275355;CCC(OC(N)=O)C(C)=O;ONDZIRYUJKIKQG-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275356;MM275356;C=C(C)OC(CO)C(=N)N;CTSCIRXKKLABMI-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275357;MM275357;C=C(C)OC(CF)C(=N)N;VJHGIXGDMHNCRP-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275358;MM275358;N=C(N)OC(CO)C(=N)N;GTWSEHVNTOZDGL-UHFFFAOYSA-N;146.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275359;MM275359;CCC(OC(C)=O)C(N)=O;ZQLHLWZRVZDRRJ-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275360;MM275360;CC(=O)OC(CO)C(N)=O;ODFQQIAFWBOKFS-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275361;MM275361;N=C(N)OC(CO)C(N)=O;FLYNMLAENUSEFM-UHFFFAOYSA-N;147.13;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275362;MM275362;C=C(C)CNN=CC(=O)O;NPOKINTVYOBPKK-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275363;MM275363;COc1n[nH]c(C#N)c1O;AXMOHADDGAYRJU-UHFFFAOYSA-N;139.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275364;MM275364;CCC(OC(N)=O)C(=O)O;KZISRUDVTRAXSJ-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275365;MM275365;C=C(F)C(CN)OC(N)=O;RAELFGZRXJFQNZ-UHFFFAOYSA-N;148.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275366;MM275366;C=C(F)C(CO)OC(N)=O;NZLJYGIPEMMXRS-UHFFFAOYSA-N;149.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275367;MM275367;C=C(F)C(CF)OC(N)=O;VSXUYMQBEWBBKY-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275368;MM275368;C=C(C)C(OC)OC(N)=O;ZCYFTKNSNRHDTM-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275369;MM275369;C=C(C)OC(OC)C(=N)N;CSHHRQAMEJSUSX-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275370;MM275370;COC(OC(=N)N)C(=N)N;ZHKQQRBGZAIGLH-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275371;MM275371;COC(OC(C)=O)C(N)=O;GAKLXJRRKDHDHY-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275372;MM275372;COC(OC(=N)N)C(N)=O;RNZFTUNWKDGQAY-UHFFFAOYSA-N;147.13;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275373;MM275373;COC(OC(N)=O)C(N)=O;UFBZWWAWFYPCRP-UHFFFAOYSA-N;148.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275374;MM275374;O=CC(F)(C=NO)CF;YGXLKQXZVKOPCW-UHFFFAOYSA-N;137.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275375;MM275375;C=C(F)C(OC)OC(N)=O;ZYKGYJBLWQYJBL-UHFFFAOYSA-N;149.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275376;MM275376;C=C(C)CN(CC)C(C)=N;YMRBWOMLDMSMIN-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275377;MM275377;C=C(F)CN(CC)C(C)=N;UMDANYJRTCPCBE-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275378;MM275378;C=C(C)CN(CC)C(C)=O;VALCAADSDKEUQP-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275379;MM275379;C=C(F)CN(CC)C(N)=O;YQGJPJLXUNUAEM-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275380;MM275380;C=C(C)CN(NC)C(C)=N;LAIVVKDEPLLHPM-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275381;MM275381;C=C(F)CN(NC)C(C)=N;POQIDASESUOZOP-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275382;MM275382;C=C(F)CN(NC)C(C)=O;WFLURIYEASDVBE-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275383;MM275383;CNN(CC(=N)N)C(=N)N;WYGXDEZDDAZWAE-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275384;MM275384;CNN(CC(N)=O)C(=N)N;VCYWOWFWYSDXCZ-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275385;MM275385;CNN(CC(=N)N)C(N)=O;NUSGNQJKNFGEPT-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275386;MM275386;C=NN1C2CC(CO)CC21;LXRXAIXYWRRLKH-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275387;MM275387;C=C(F)CN(OC)C(C)=O;WGUXHDUEBBSTHP-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275388;MM275388;CON(CC(=N)N)C(=N)N;YLCOUHQPKWBSFQ-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275389;MM275389;C=C(F)CN(OC)C(=N)N;KSTUEJIYIPZOED-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275390;MM275390;N#CC(=NO)ON=CCO;PULZQNOPEXINLA-UHFFFAOYSA-N;143.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275391;MM275391;C=C(C)CC(C=O)C(=C)C;TVRCGYDQNQSKMD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275392;MM275392;C=CC(CC(=N)N)C(=C)C;GQTUSJAHALIXQQ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275393;MM275393;C=C(C)C(C=O)CC(=N)N;BZPDDEOZDQYVDQ-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275394;MM275394;C=C(C)C(C#N)CC(=N)N;FSSQIJGKMDLXRH-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275395;MM275395;CCON=CC(N)=O;GBVYYOKJJACBRS-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275396;MM275396;C=C(C)C(C=O)CC(N)=O;ZUEZVHPUICTEFT-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275397;MM275397;C=CC(CC(=O)O)C(=C)C;HQXJSEAFBCKOJS-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275398;MM275398;C=C(F)CC(C=O)C(=C)C;DSTQMTCKCFWMGQ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275399;MM275399;C=CC(CC(=C)C)C(C)=O;RXXCUJWAQGCBRD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275400;MM275400;C=CC(CC(=N)N)C(C)=O;YXJHVBUDHUZQPT-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275401;MM275401;C#Cc1nnn(NC)c1O;YNVBGUPIERQWLN-UHFFFAOYSA-N;138.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275402;MM275402;C=CC(CC(=C)C)C(=N)N;CCRZHHZWZCWVSE-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275403;MM275403;C=C(C)CC(C=O)C(=N)N;ZAODBNCTEJMLIO-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275404;MM275404;CC(=O)CC(C#N)C(=N)N;TYUNMNGIVLWUSK-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275405;MM275405;N#CC(CC(=N)N)C(=N)N;STUKNFILQAFADU-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275406;MM275406;N#CC(CC(N)=O)C(=N)N;CKVXUTUSNKAZJB-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275407;MM275407;C=C(F)CC(C=O)C(=N)N;AYZGWSLFDMZTRB-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275408;MM275408;CNC(=O)CN(N)C=O;GTWXFERDPNGJAS-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275409;MM275409;CC(=O)CC(C#N)C(N)=O;KCECPZNRHJJGHY-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275410;MM275410;N#CC(CC(=N)N)C(N)=O;KZKYDCDLGIKCJJ-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275411;MM275411;N#CC(CC(N)=O)C(N)=O;KFGCMPFWBITUSK-UHFFFAOYSA-N;141.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275412;MM275412;N=c1nnoc(O)c1CF;NZPOSTRJHJTWIA-UHFFFAOYSA-N;145.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275413;MM275413;C=C(F)CC(C=O)C(N)=O;SKMRFFRCYVJZFN-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275414;MM275414;C=C(F)CC(C#N)C(N)=O;JSLBHSRPUUSQRF-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275415;MM275415;C=C(C)CC(C=O)C(=C)F;OWJXATHKCCYFPP-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275416;MM275416;C=C(F)C(C=O)CC(=N)N;BUJPTACKCLBBSS-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275417;MM275417;C=C(F)C(C#N)CC(N)=O;SCKPFEVYDRMIFN-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275418;MM275418;C=CC(CC(=O)O)C(=C)F;SGWSTBDEQKSZFC-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275419;MM275419;C=C(F)CC(C=O)C(=C)F;CEQOSHCLVVJKOA-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275420;MM275420;C=CC(NC(C)=N)C(=C)C;ZFVOZAJERSRVDH-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275421;MM275421;CC(=O)C(C#N)NC(N)=O;GLINUKBFWVTAIB-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275422;MM275422;CC(=N)NC(C#N)C(=N)N;PCAUOVUIPHLTEF-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275423;MM275423;N#CC(NC(=N)N)C(=N)N;DWDCWKVVINGYNI-UHFFFAOYSA-N;140.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275424;MM275424;CC(=N)NC(C#N)C(N)=O;GNZPYWZVQJOZDU-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275425;MM275425;CC(=O)NC(C#N)C(N)=O;AYEWMEZOBFGNOD-UHFFFAOYSA-N;141.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275426;MM275426;Nn1[nH]c(=O)c(O)cc1=O;KOCBBCAYSZOQGY-UHFFFAOYSA-N;143.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275427;MM275427;C=CC(NC(C)=N)C(=C)F;UWNRRHDJCKDFGS-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275428;MM275428;C=C(F)C(C=O)NC(=N)N;CZHCOYMJIKVIBW-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275429;MM275429;C=C(F)C(C#N)NC(=N)N;XFEIOUNLJJHLQT-UHFFFAOYSA-N;142.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275430;MM275430;C=C(F)C(C=O)NC(N)=O;CHIJPZNNLWONCH-UHFFFAOYSA-N;146.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275431;MM275431;C=C(C)C(C=O)OC(N)=O;SDXDMPHLVJWMPL-UHFFFAOYSA-N;143.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275432;MM275432;CNN=C(CO)CC(=O)O;USCZJORDHSKFOX-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275433;MM275433;CC(O)C(CC(=O)O)=NN;IEWNCJUEKDVJKJ-UHFFFAOYSA-N;146.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275434;MM275434;C=C(C)OC(C#N)C(=N)N;IJBGJJFCKSLXLL-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275435;MM275435;C=C(F)C(C=O)OC(C)=O;WPZOHZOHFOSLSM-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275436;MM275436;C=CC(OC(=N)N)C(=C)F;OJDQDAZJCXNFCF-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275437;MM275437;C=C(F)C(C=O)OC(=N)N;NGSJFEYOPPWCNO-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275438;MM275438;C=C(F)C(C#N)OC(N)=O;QLUFWQGCWMOEQQ-UHFFFAOYSA-N;144.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275439;MM275439;C=C(C)N(C=O)CC(=N)N;AFSKIYOYAHPBJZ-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275440;MM275440;C=C(C)N(C=N)CC(N)=O;KOQKXONEWGMNSV-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275441;MM275441;C=C(C)N(C=O)CC(N)=O;RIJGTEKPFPPCED-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275442;MM275442;C=CN(CC(=C)C)C(C)=N;UDNUYTNEXIQDLD-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275443;MM275443;C=CN(CC(=C)F)C(C)=N;GEJVGMSVGAIPAT-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275444;MM275444;C=CN(CC(=C)C)C(C)=O;ZPOBWOPXRIOHLE-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275445;MM275445;CC(C=CC=NO)C(=O)O;MANRHGMYYOWWRV-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275446;MM275446;CC(=O)CN(C=N)C(=N)N;HGSYLSNEBCSPJC-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275447;MM275447;CC(=O)CN(C=O)C(=N)N;VBUPVIBODOBZGD-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275448;MM275448;C=CN(CC(=N)N)C(=N)N;FMXJICROMZVGMD-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275449;MM275449;N=CN(CC(=N)N)C(=N)N;ICHINIABGRGMIA-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275450;MM275450;N=C(N)CN(C=O)C(=N)N;XKYCUPQGPYBEGI-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275451;MM275451;C=CN(CC(N)=O)C(=N)N;PRMGZIZHOVWQIM-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275452;MM275452;N=CN(CC(N)=O)C(=N)N;VBMPMAXJQJWQAU-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275453;MM275453;C=C(F)CN(C=N)C(=N)N;LJQYOZLCMBMAGO-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275454;MM275454;C=C(F)CN(C=O)C(=N)N;RUUNGNJRHZCJAT-UHFFFAOYSA-N;145.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275455;MM275455;CN(C)N=CC(=O)CF;MRHPDBZOSGRZMG-UHFFFAOYSA-N;132.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275456;MM275456;CC(=O)CN(C=O)C(N)=O;SJTMLXRLXOYBLA-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275457;MM275457;N=CN(CC(=N)N)C(N)=O;XOVRZWOEBRMWLC-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275458;MM275458;N=C(N)CN(C=O)C(N)=O;DLRWDLGHUORWGK-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275459;MM275459;C#CC(C)N(N)C(N)=O;ZFCYHNPGRGYEIF-UHFFFAOYSA-N;127.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275460;MM275460;NC(=O)CN(C=O)C(N)=O;FPRZMVIGSWWGEV-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275461;MM275461;COCC(CC(=O)O)=NN;NRDPCJNYUXZVJP-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275462;MM275462;CC=NN(C=N)CC(=O)O;GVKVCYHZPVVFIG-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275463;MM275463;C=NOCCC(C)CO;UREKKHWKMXQKRR-UHFFFAOYSA-N;131.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275464;MM275464;C=C(F)CN(C=O)C(N)=O;ORAVBDFWJMKWET-UHFFFAOYSA-N;146.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275465;MM275465;C=NN(CC(=C)C)C(C)=O;BBXYDWDZELVPGG-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275466;MM275466;C=NN(CC(=N)N)C(=N)N;XKMFAGPUXGOCOJ-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275467;MM275467;C=NN(CC(N)=O)C(=N)N;MSXYFGBFAVQZDN-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275468;MM275468;C=CC(=O)NCC#CC;XXSJCTVSMRWDFD-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275469;MM275469;C=NN(CC(=N)N)C(N)=O;NDHLXQIOHJOVFD-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275470;MM275470;C#CCN1C=NC(=N)C1;GUFRXOGZWCEZMT-UHFFFAOYSA-N;121.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275471;MM275471;N=c1[nH]nc(N)c(=O)o1;HYCQWCAZJYQROV-UHFFFAOYSA-N;128.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275472;MM275472;C=CN(NC(N)=O)C(C)=N;KBGUGOKNNABJDP-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275473;MM275473;C=CN(NC(=N)N)C(C)=O;CRJRJAIEIMZZMI-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275474;MM275474;CC(=N)NN(C=N)C(=N)N;SOBQVEDQEUGSOY-UHFFFAOYSA-N;142.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275475;MM275475;CC(=N)NN(C=O)C(=N)N;BCOSWTCDNZGSBB-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275476;MM275476;C=CN(NC(C)=O)C(=N)N;KVHDUHHLNCGGOD-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275477;MM275477;CC(=O)NN(C=N)C(=N)N;LZYVIUUENWSGEJ-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275478;MM275478;N=C(N)NN(C=O)C(=N)N;UUCBGUJAHJWXGQ-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275479;MM275479;C=CN(NC(N)=O)C(=N)N;XEYVCNOPXDUKOY-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275480;MM275480;N=CN(NC(N)=O)C(=N)N;QUHTYVWYYCTIIB-UHFFFAOYSA-N;144.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275481;MM275481;C=CN(NC(C)=N)C(N)=O;YNUYIUOZIXPYEB-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275482;MM275482;CC(=N)NN(C=N)C(N)=O;JQEXNAHJHXXAFJ-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275483;MM275483;CC(=N)NN(C=O)C(N)=O;HZQXFKFIXHCIBR-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275484;MM275484;CC(=O)NN(C=O)C(N)=O;WHYGCBGCVLVBQJ-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275485;MM275485;N=CN(NC(=N)N)C(N)=O;SGZNZSLOFWSHCX-UHFFFAOYSA-N;144.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275486;MM275486;N=C(N)NN(C=O)C(N)=O;KHKVEKCOPWHLKR-UHFFFAOYSA-N;145.12;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275487;MM275487;CC(=N)N(C=N)OC(C)=O;GQEHMUAQCIBBAV-UHFFFAOYSA-N;143.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275488;MM275488;CC(C)OC(=O)CC=NN;QVGMRZOSUAILKQ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275489;MM275489;CC(=N)N(C=O)OC(N)=O;VLDHZNWXKRFVEY-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275490;MM275490;CC(=O)N(C=N)OC(N)=O;KRMVFAXXKNRQTH-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275491;MM275491;C=CN(OC(C)=O)C(=N)N;SKAGNWIZMCWXFN-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275492;MM275492;CC(=O)ON(C=N)C(=N)N;AIRPBRLJZJOKQP-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275493;MM275493;C=CN(OC(C)=O)C(N)=O;IPUBDEHMQPYJQN-UHFFFAOYSA-N;144.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275494;MM275494;CN(C)N=CC(F)=CCO;DFYRHFKFEKUOQN-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275495;MM275495;CC(=O)ON(C=O)C(N)=O;RVSHFCJQEMTZFD-UHFFFAOYSA-N;146.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275496;MM275496;C#CC(CC(C)=O)C(=C)C;WFIHTNHULIVAQD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275497;MM275497;C#CC(CC(=O)O)C(=C)C;ZXCYIPPZQNMJJV-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275498;MM275498;C#CC(CC(=C)F)C(=C)C;WYXVIASVPCIIEY-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275499;MM275499;C#CC(CC(N)=O)C(C)=O;ZXJMEHNACXXFEC-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275500;MM275500;Cn1[nH]oc(=O)c1=N;NGMXUCMYXVDMSU-UHFFFAOYSA-N;115.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275501;MM275501;C#CC(CC(=C)F)C(C)=O;BIBCJTQKNMCASM-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275502;MM275502;C#CC(CC(=C)C)C(=N)N;BQHSTAAQRFYAFT-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275503;MM275503;C#CC(CC(C)=O)C(=N)N;SNRHJNDZDDNQPO-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275504;MM275504;C#CC(CC(=N)N)C(=N)N;JAIMBGSURYGIKI-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275505;MM275505;C#CC(CC(=C)C)C(N)=O;RUOHFUUODKVXKL-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275506;MM275506;C#CC(CC(C)=O)C(N)=O;MCGNDUNQYMDURY-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275507;MM275507;CON=CNC=CC(=O)O;ZEXBPGANQXFAQS-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275508;MM275508;C#CC(CC(=C)F)C(=O)O;CKYHYTXBYUIFES-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275509;MM275509;C#CC(CC(=N)N)C(=C)F;BCJRQFAXBMGKHI-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275510;MM275510;C#CC(CC(N)=O)C(=C)F;GMRAPMFAPYURFY-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275511;MM275511;C#CC(CC(=O)O)C(=C)F;OYFKDAGORYLWGC-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275512;MM275512;C#CC(NC(C)=N)C(C)=O;NDCGSNPNKRLDIT-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275513;MM275513;C#CC(NC(C)=O)C(=N)N;VKBWBLPSQSLGMZ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275514;MM275514;C#CC(NC(=N)N)C(=N)N;UIUKCMBYCOCPFR-UHFFFAOYSA-N;139.16;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275515;MM275515;C#CC(NC(C)=N)C(N)=O;GOKFRIXAXMIRGV-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275516;MM275516;Nc1nc(=O)nc(O)n1N;WOGPLSSLAHFCBB-UHFFFAOYSA-N;143.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275517;MM275517;C#CC(NC(N)=O)C(=C)F;VVUHJBDAVPOKRU-UHFFFAOYSA-N;142.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275518;MM275518;C#CC(OC(=N)N)C(=C)C;YUOIFAPKSBLQFD-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275519;MM275519;C#CC(OC(N)=O)C(C)=O;FBJMSRJRCZGPJU-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275520;MM275520;C#CC(OC(=C)C)C(=N)N;AAKZJNRYGFLENU-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275521;MM275521;C#CC(OC(=N)N)C(N)=O;KQVKTRJFWOWJTE-UHFFFAOYSA-N;141.13;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275522;MM275522;C=C(C(=O)O)C(C)C=O;VDOGVGRSKDCHHS-UHFFFAOYSA-N;128.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275523;MM275523;CC(N)CC(=CF)C(C)C;WJMPJMAYEUULRF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275524;MM275524;C=NNC(C)CC(C)CO;GSOAOAWQGSCFCP-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275525;MM275525;CC(O)CC(=CF)C(C)C;NESRRMADIQPSBK-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275526;MM275526;CC(F)CC(=CF)C(C)C;VHPGAOHSLYJAEU-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275527;MM275527;CC=C(CC(C)N)C(C)N;GYQHOQXIXSHQMM-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275528;MM275528;CC=C(CC(C)O)C(C)N;UILPOCTVNHLVLX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275529;MM275529;CC=C(CC(C)F)C(C)N;GZRWGJUJCZUHPR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275530;MM275530;CC(F)CC(=CF)C(C)N;GMLAQOCCYXCQRX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275531;MM275531;CC=C(CC(F)F)C(C)N;WXNHGEXHRHKBFV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275532;MM275532;CC(N)C(=CF)CC(F)F;AGFKNVAWEMOEOV-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275533;MM275533;CC=C(CC(C)N)C(C)O;CMKVQDSYGAOBQU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275534;MM275534;CC=C(CC(F)F)C(C)O;BZVYUGHVYQJEQA-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275535;MM275535;CC(O)C(=CF)CC(F)F;DRJFQHGBZOXXAB-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275536;MM275536;CC=C(CC(C)N)C(C)F;QALQHYWPBSNRCU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275537;MM275537;CC(N)CC(=CF)C(C)F;RYHBATYJXUIJJF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275538;MM275538;CC=C(CC(C)O)C(C)F;FQKGKTWQUXAUND-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275539;MM275539;CC(F)CC(=CF)C(C)F;MMRPILUTRIJTSM-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275540;MM275540;CC(F)C(=CF)CC(F)F;NSELHKSNYQSZCF-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275541;MM275541;CC=C(CC(C)N)C(F)F;FDEISXCLSHEXMR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275542;MM275542;CC=C(CC(C)O)C(F)F;UPUZNEDLBCTMSI-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275543;MM275543;CC=C(CC(F)F)C(F)F;IXXKGRZALWENPK-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275544;MM275544;CC(C)CC(=NN)C(C)C;QPVGWBOYQADOSG-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275545;MM275545;CC(C)CC(=NO)C(C)C;HRKQDTVUMLJVFH-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275546;MM275546;N#CC(CC(N)=O)=C(N)N;DVXNTJNNBKIMCH-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275547;MM275547;CC(C)CC(=NO)C(C)N;IAQNBXJWGYGQIS-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275548;MM275548;CC(C)CC(=NN)C(C)F;WHWXLGLHHSMXFI-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275549;MM275549;CC(F)CC(=NN)C(C)F;FEUBJSUTIMDQMO-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275550;MM275550;CC=C(CC=O)C(=O)O;GGSCAXCCNIIYNZ-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275551;MM275551;CC(F)C(CC(F)F)=NN;LGDSOOHRLXARRD-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275552;MM275552;O=c1[nH]n(O)c(=O)c(=O)o1;SYPRWXWBCKINFB-UHFFFAOYSA-N;146.06;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275553;MM275553;CN=C(NC(C)C)C(C)C;JQKKRGJCUHGWHS-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275554;MM275554;CC(C)C(=CF)CN(C)C;WWGGOIQOHDNGKM-UHFFFAOYSA-N;145.22;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275555;MM275555;N#CCCOC=CC(N)=O;RZIRTJCBRWNUNP-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275556;MM275556;CN=C(NN(C)C)C(C)N;WRBIVHVTANUXCE-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275557;MM275557;CN=C(NN(C)C)C(C)O;WEIDBPGQDJIBRN-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275558;MM275558;C#CCN=CN(C)C(N)=O;GMXSRKVZCVXTRJ-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275559;MM275559;CN(C)C(CC(F)F)=NO;FIWHQRXKYFLAGH-UHFFFAOYSA-N;152.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275560;MM275560;CN(C)C(CC#N)C(N)=O;JDBAWSHBWPGEKJ-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275561;MM275561;CN(C)N(CC=O)C(N)=O;NPAWUHGGIHVOHI-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275562;MM275562;CN=C(CC(F)F)N(C)N;SVJIMMCLHRODQI-UHFFFAOYSA-N;151.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275563;MM275563;CN=C(CC(C)N)N(C)O;KYAMNKPLERBRLY-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275564;MM275564;C=NOC(C(=C)C)C(N)=O;BVKQKDLMVKIVNX-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275565;MM275565;CC(O)CC(=NO)N(C)O;GSMLOHKGLBIAPW-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275566;MM275566;CC(CO)CCN(N)C=O;VJFFYOKMMWTSGT-UHFFFAOYSA-N;146.19;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275567;MM275567;CN(O)C(CC(F)F)=NO;OMQSDMJSXMWJRU-UHFFFAOYSA-N;154.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275568;MM275568;CC(C)NC(=NN)N(C)N;PKZGEWCBADULDT-UHFFFAOYSA-N;145.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275569;MM275569;CC(C)NC(=NN)N(C)O;YYDVQTHRZHIQAS-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275570;MM275570;CN(C)NC(=NN)N(C)C;DRGPZFDVWBIONM-UHFFFAOYSA-N;145.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275571;MM275571;CN(C)NC(=NN)N(C)N;QYIKOMFAGIXRED-UHFFFAOYSA-N;146.2;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275572;MM275572;CN=C(NN(C)C)N(C)O;NMEGWNBPCMBYFK-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275573;MM275573;CN(C)NC(=NN)N(C)O;IIEZOWZYVFRQDJ-UHFFFAOYSA-N;147.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275574;MM275574;CNC(C#N)CC(C)CO;KHZNVNWYMBVRGI-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275575;MM275575;CC=C(CC(=N)N)C(C)C;HGKSKGMFKMXSHE-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275576;MM275576;CC(C)C(=CF)CC(=N)N;QLFSWHABSSWFGX-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275577;MM275577;CC(CO)CC1(CF)CN1;UWLCBADUXZCEJE-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275578;MM275578;CC(C)C(=CF)CC(N)=O;GPZNJFLMLNZOBE-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275579;MM275579;CC(C)C(=CF)CC(=O)O;PUKWYBXDRCPLED-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275580;MM275580;CC=C(CC(N)=O)C(C)N;UOMJHWFRRFZOLI-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275581;MM275581;CC=C(CC(=N)N)C(C)O;LBGLHQXHACHJNT-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275582;MM275582;CC(O)C(=CF)CC(=N)N;OUOMUIBYJLOHNF-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275583;MM275583;CC(=O)CC(=CF)C(C)F;ZCZBSGHIQQIHEQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275584;MM275584;CC=C(CC(=N)N)C(C)F;NORJSNBYQKTSGT-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275585;MM275585;CC(F)C(=CF)CC(=N)N;MLHLHYPROCMTLE-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275586;MM275586;CC=C(CC(N)=O)C(C)F;LPYKTYPSRBLIEA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275587;MM275587;CC=C(CC(=O)O)C(C)F;FQYUFXOCYYZDEK-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275588;MM275588;CC=C(CC(=N)N)C(F)F;VPRZXRUNBHFTAQ-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275589;MM275589;CC=C(CC(N)=O)C(F)F;AEENBOCHTDCDBJ-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275590;MM275590;C=C(C)CC(=NO)C(C)C;RRXYDUSEKZZAST-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275591;MM275591;CC(CO)CC1(C=O)CN1;UZSLTYPRYBEDRC-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275592;MM275592;CC(C)C(CC(N)=O)=NO;KYZQPFGHRUNTPG-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275593;MM275593;CC(CO)CC1(C#N)CN1;SMUBBVINBAENKG-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275594;MM275594;COC=C(CC(=O)O)OC;GPRYQSPRWZGTSV-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275595;MM275595;CC(F)C(CC(=N)N)=NN;ALKKGQZXFIULHX-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275596;MM275596;CC1(CC(=O)O)CO1;ZMBQJMJSIDNWKN-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275597;MM275597;CC=C(NC(C)=N)C(C)C;BSEOHIGRLJVCHF-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275598;MM275598;CC(=N)NC(=CF)C(C)C;NCNYXYIKFQROTE-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275599;MM275599;CC(=O)NC(=CF)C(C)C;MFQWKBGTBDJYRK-UHFFFAOYSA-N;145.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275600;MM275600;CC=C(NC(=N)N)C(C)C;PFFGXRAQFMASRA-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275601;MM275601;CC(C)C(=CF)NC(=N)N;HFVWBQXAPUEAFY-UHFFFAOYSA-N;145.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275602;MM275602;CC=C(NC(N)=O)C(C)C;WWHSNPVTZLCIIR-UHFFFAOYSA-N;142.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275603;MM275603;CC(=N)NC(=CF)C(C)N;DIQUTJSAZFSZGV-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275604;MM275604;CC=C(NC(=N)N)C(C)F;YJEPKRMKXONIEW-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275605;MM275605;CC(F)C(=CF)NC(=N)N;HXSJBTGPKXBWKD-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275606;MM275606;C=C(C)NC(=NC)C(C)C;ZSWKAEIBADYVBP-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275607;MM275607;CN=C(NC(C)=N)C(C)C;AVFQMSFWPLAOFE-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275608;MM275608;C#CC1(CC(C)CO)CN1;ALIQBKCDHWIHBK-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275609;MM275609;CC(C)C(=NN)NC(=N)N;MWRLSYMNOYVEKU-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275610;MM275610;CC(C)C(=NO)NC(=N)N;BUWOZVGOQKWXBT-UHFFFAOYSA-N;144.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275611;MM275611;CC(C)C(=NO)NC(N)=O;RGIDIJNZOLCLKX-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275612;MM275612;C=C(C)NC(=NC)C(C)N;IQOVZQXYXYNTLP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275613;MM275613;CC(=O)NC(=NN)C(C)O;CWWAQWNILGYYHQ-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275614;MM275614;CC(=O)NC(=NO)C(C)O;DNVNECFITMGUPY-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275615;MM275615;CC(O)C(=NN)NC(=N)N;SBPVTJHCJWPXTR-UHFFFAOYSA-N;145.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275616;MM275616;CN=C(NC(N)=O)C(C)O;OMDYMPPJVSFAHU-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275617;MM275617;CN=C(NC(C)=N)C(C)F;QBSDUDYJWGQHSK-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275618;MM275618;CC(=O)NC(=NN)C(C)F;MLNYNBLRUZUSCS-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275619;MM275619;CC(F)C(=NN)NC(N)=O;JRGUOISWXJKWAB-UHFFFAOYSA-N;148.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275620;MM275620;CC(=O)OC(=CF)C(C)C;MXOMYULABKKPGE-UHFFFAOYSA-N;146.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275621;MM275621;CC(=O)OC(=NO)C(C)C;SSPCJOKIXKAZHI-UHFFFAOYSA-N;145.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275622;MM275622;CC(CO)CCNCC#N;KNWIQMUFLSTODS-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275623;MM275623;CC(=O)OC(=NN)C(C)O;NQHKWRDIURTDQM-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275624;MM275624;COC(=CCO)N(N)C=O;JDRXOEHYASFOOV-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275625;MM275625;COCC#CCCC(=O)O;FTMKCLWSHXMSMZ-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275626;MM275626;COCONC(=O)CO;KDXMOTXZDDQGOX-UHFFFAOYSA-N;135.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275627;MM275627;CN(N)C(CC(=N)N)=NN;JBLAOIAPDZMEMN-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275628;MM275628;CCOCONC(=O)CO;UISXXBXTDZXGPS-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275629;MM275629;C=C(F)CC(=NC)N(C)N;SCRYGRGYWCXTHG-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275630;MM275630;CN=C(CC(=N)N)N(C)O;ADWJMEYJXAKHDW-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275631;MM275631;CN(O)C(CC(=N)N)=NN;XPJZGMVSBDLFFY-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275632;MM275632;CN(O)C(CC(=N)N)=NO;GCZSDVZQEVSRRD-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275633;MM275633;C#CC=NN(C=O)CC=O;GCUOODCAJNHEJA-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275634;MM275634;CN(O)C(CC(N)=O)=NO;RLCMFUCDODDZAF-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275635;MM275635;O=C(O)CC1(O)CC1;KFZBWDNJUMVKMC-UHFFFAOYSA-N;116.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275636;MM275636;C#Cc1onc(O)c1N;SQLPAWMDELILEM-UHFFFAOYSA-N;124.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275637;MM275637;C=CN(C)C(=NN)C(N)=O;CSIGUYWMQHUNGN-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275638;MM275638;C=C(F)CC(=NO)N(C)O;HHFOGSIXIMJELN-UHFFFAOYSA-N;148.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275639;MM275639;CC(=N)NC(=NO)N(C)C;BMPVABRVFRMSCR-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275640;MM275640;CN=C(NC(C)=O)N(C)C;IJZCTBABGFNAHD-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275641;MM275641;CN(C)C(=NN)NC(=N)N;DBGROKJGAQRRQP-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275642;MM275642;CN(C)C(=NO)NC(=N)N;WNOQSWKICKDROO-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275643;MM275643;CN=C(NC(C)=N)N(C)N;KWEZZAPSIXLQAE-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275644;MM275644;CC(=N)NC(=NN)N(C)N;PHNKKQBRNOKHDT-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275645;MM275645;CC(=N)NC(=NO)N(C)N;ZOGCSXFOMFNODD-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275646;MM275646;Cc1c(N)c(C)n(O)c1N;ROHYMJJOQSEGPQ-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275647;MM275647;CN(N)C(=NN)NC(=N)N;ULRRZWHTJQWGMU-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275648;MM275648;CC(=N)NC(=NN)N(C)O;NEDQREMCQAUSTE-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275649;MM275649;CC(=N)NC(=NO)N(C)O;PLQHNADFLLFEQE-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275650;MM275650;CC(=O)NC(=NO)N(C)O;NDAKTDYBUFDFRR-UHFFFAOYSA-N;147.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275651;MM275651;CCNc1cc(C#N)c[nH]1;WDMWTQJSGOJUSJ-UHFFFAOYSA-N;135.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275652;MM275652;CC(=O)OC(=NO)N(C)C;ZMBBVYPFOCSEPI-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275653;MM275653;CN=C(OC(C)=O)N(C)N;IHOWQRBRFZFNSW-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275654;MM275654;C#Cc1n[nH]c(OC)c1N;XTILOQKJIVGZDD-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275655;MM275655;CC(=O)OC(=NO)N(C)O;RXQYPBHGOUNWTD-UHFFFAOYSA-N;148.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275656;MM275656;C=C(C)C(=CF)CC(C)N;RPRSTRQLHUFCGX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275657;MM275657;O=CC1C=CN(C=O)N=C1;GUAHZXXAZWKXGT-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275658;MM275658;C=C(C)C(=CF)CC(C)O;MSOMEENEVFBVOM-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275659;MM275659;C=C(C)C(=CF)CC(F)F;JPGNXUUPUPRYDW-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275660;MM275660;CC=C(CC(C)C)C(C)=O;KUGGIEKRZGJJRQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275661;MM275661;CC=C(CC(C)O)C(C)=O;NFFRGSYWMRVXQN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275662;MM275662;CC(=O)C(=CN)CC(C)O;ZYVIHDGSNIFPHH-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275663;MM275663;CC=C(CC(C)F)C(C)=O;HKRZDNATFNJVIZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275664;MM275664;CC(=O)C(=CN)CC(C)F;OLXNSTMZBUNXNF-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275665;MM275665;CC=C(CC(F)F)C(C)=O;HZKNEOQRROBKEK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275666;MM275666;CC(=O)C(=CN)CC(F)F;VEFOZQUGKRFIJY-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275667;MM275667;CC(=O)C(=CF)CC(F)F;YRIPCAXFOWBMLK-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275668;MM275668;CC=C(CC(C)N)C(=N)N;GDGSEWTUINTHDB-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275669;MM275669;CC(F)CC(=CN)C(=N)N;MITKALNXCBZAJE-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275670;MM275670;CC(F)CC(=CF)C(=N)N;VKFNKRMZTSZSCA-UHFFFAOYSA-N;148.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275671;MM275671;OCC=C(F)C1CN1;RCMFCMSIQIMWDE-UHFFFAOYSA-N;117.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275672;MM275672;CC=C(CNC=O)C(=O)O;VWURTPYTHBJFIE-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275673;MM275673;CC(F)CC(=CF)C(=O)O;ZDDWJPPDBSVTFC-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275674;MM275674;C=C(F)C(=CC)CC(C)N;NXPXLPNHZPQYNW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275675;MM275675;C=C(F)C(=CC)CC(C)O;ITIDOIIPDQGJEF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275676;MM275676;C=C(C)C(CC(C)N)=NO;LPUFRFPECQHISN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275677;MM275677;C=CC(F)=C(C)C(N)=O;MFPDKVGNNKSUEJ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275678;MM275678;C=C(C)C(CC(C)O)=NO;TXMCSJGUYRQFMC-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275679;MM275679;CC(F)CC(=NN)C(=N)N;VWJDKHXGNANYQQ-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275680;MM275680;C=C(C(=O)O)C(C)NC=O;YGENSTWBCXUDRL-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275681;MM275681;CC1C(=O)OCC1=NN;OPOCOLGBVNWFAE-UHFFFAOYSA-N;128.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275682;MM275682;CN=C(NC(C)C)C(=N)N;TYRYRJLEEONPNU-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275683;MM275683;CC(F)(C#CC#N)C=NO;UPMPTELGTFIXQW-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275684;MM275684;CN(C)CC(=CF)C(=N)N;WNPSPGIZIZFTAT-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275685;MM275685;CNC(=NN(C)C)C(=N)N;YHVIBRYRRKCIKY-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275686;MM275686;CN(C)N=C(NN)C(=N)N;BVZPRQJVLGOCDB-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275687;MM275687;CN(C)N=C(NO)C(=N)N;UFEZQOQEGRTERL-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275688;MM275688;Cc1c[nH]c(N=O)c1N;QIVFHKXVVKOUGE-UHFFFAOYSA-N;125.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275689;MM275689;CCN(C)N=CC(=O)O;IEMULKWKKQSEAZ-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275690;MM275690;CC(C)NN=CC(=O)O;ZSHVAXPPSDWKSR-UHFFFAOYSA-N;130.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275691;MM275691;C=C(F)C(=NC)NN(C)C;YVJWYWUCVXDTQZ-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275692;MM275692;C=C(C)C(=CC)CC(=N)N;YBICNMNBCUCMLZ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275693;MM275693;C=C(C)C(=CF)CC(=N)N;CXPQMCUUICLIHW-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275694;MM275694;CN=C1CNC(OC)=N1;XRZHRUXKPUZJIL-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275695;MM275695;C=C(C)C(=CF)CC(N)=O;QHOIZUALRDVQTG-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275696;MM275696;C=C(C)C(=CC)CC(=O)O;PADZKHAFDAQOIU-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275697;MM275697;C=C(C)C(=CF)CC(=O)O;PIKRBSLHEPZVQU-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275698;MM275698;C=C(F)CC(=CF)C(=C)C;HHIUYCGTQUEVLM-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275699;MM275699;C=C(C)CC(=CC)C(C)=O;COXDILKVYPKJPY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275700;MM275700;C=C(C)CC(=CF)C(C)=O;YJPYLCNCUXDUAF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275701;MM275701;CC=C(CC(=N)N)C(C)=O;NCOBENRVQRZZMT-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275702;MM275702;CC(=O)C(=CN)CC(=N)N;YYAVLCGXENPEFC-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275703;MM275703;CC(=O)C(=CF)CC(=N)N;POQPSWQKONZHFB-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275704;MM275704;C#Cc1[nH]nc(C#N)c1O;AHYSYCIZFDLEGT-UHFFFAOYSA-N;133.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275705;MM275705;C=C(F)CC(=CC)C(C)=O;UMJDIOQLBDLJBI-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275706;MM275706;C=C(F)CC(=CN)C(C)=O;HYNXHDAAFGRYAI-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275707;MM275707;C=C(F)CC(=CF)C(C)=O;VNZQADNVSAKZCW-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275708;MM275708;C=C(C)CC(=CN)C(=N)N;XDDZATSROAXNRY-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275709;MM275709;C=C(C)CC(=CF)C(=N)N;ZMIZRBTWTMXYKJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275710;MM275710;CC(=O)CC(=CN)C(=N)N;JVZIBRVJRLMVOZ-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275711;MM275711;O=C(C=NN1CC1)CF;MHWGCPFQILQXMX-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275712;MM275712;C=C(C(=O)NC)C(C)(C)F;FYONXVIJWYRPGM-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275713;MM275713;CCc1noc(O)c1O;JVBAMSOHASCKMB-UHFFFAOYSA-N;129.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275714;MM275714;O=C(O)CC(=CF)C(=O)O;FHBIZOUIOXLWCD-UHFFFAOYSA-N;148.09;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275715;MM275715;C=C(F)C(=CF)CC(C)=O;SDLHHHYAOOWYJW-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275716;MM275716;C=C(F)C(=CC)CC(=N)N;LHOLROLQASWXBH-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275717;MM275717;C=C(F)C(=CF)CC(=N)N;BNFOAJCNUSENDA-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275718;MM275718;C=C(F)C(=CC)CC(N)=O;NZNXTTUHSOGHML-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275719;MM275719;C=C(F)C(=CF)CC(N)=O;SOYJJMIDGPOOHT-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275720;MM275720;C=C(F)C(=CF)CC(=O)O;GSUDAJKBYFJFRF-UHFFFAOYSA-N;148.11;1.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275721;MM275721;C=C(F)CC(=NN)C(=N)N;WAFNCGFKVYHNRT-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275722;MM275722;Cc1[nH]c(=NO)oc1F;VBVWIJYYDANVDK-UHFFFAOYSA-N;132.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275723;MM275723;CCc1onc(N)c1O;DNVFZRSXTWGALR-UHFFFAOYSA-N;128.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275724;MM275724;Cn1[nH]n(O)c(=O)c1=O;DZCCNPACFLVGHO-UHFFFAOYSA-N;131.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275725;MM275725;CC(=O)N(C)NCC(=O)O;DKTQYOPOZFYGMU-UHFFFAOYSA-N;146.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275726;MM275726;C=C(F)C(CC(=N)N)=NN;MTPFCTBNZSCCFP-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275727;MM275727;C=C(F)C(CC(N)=O)=NN;FXTDZHOJQOZIEA-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275728;MM275728;C=C(C)C(=CC)NC(C)=N;FYPGXKZQJPLQGT-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275729;MM275729;C=C(C)C(=CF)NC(C)=N;WVFUZQUFGOZDSD-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275730;MM275730;C=C(C)C(=CC)NC(=N)N;PITIYBSMOUZAQI-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275731;MM275731;C=C(C)C(=CF)NC(=N)N;DOYWAJKFELAYGD-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275732;MM275732;C=C(C)C(=CC)NC(N)=O;KZCIQAZVKJJEIL-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275733;MM275733;C=C(C)C(=CF)NC(N)=O;NCDHVWYYYTXSBZ-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275734;MM275734;CC=C(N=C(C)N)C(C)=O;FALOWJXRNPRNTB-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275735;MM275735;CC=C(NC(C)=O)C(C)=O;VQRZOFWLSIIKNH-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275736;MM275736;CC=C(NC(=N)N)C(C)=O;KVKNZOSCKXVNAP-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275737;MM275737;CC(=O)C(=CF)NC(=N)N;IXLTYJMGZCEURB-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275738;MM275738;CC(=O)C(=CF)NC(N)=O;YDZSSPWYPDXYSL-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275739;MM275739;CC(=O)NC(=CN)C(=N)N;ZAWGIIAGRMZGBB-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275740;MM275740;N=C(N)NC(=CN)C(=N)N;UYHCHNRCAKHROF-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275741;MM275741;CC=C(NC(N)=O)C(=N)N;FZNIWEVURAVDHA-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275742;MM275742;CC(=N)NC(=CN)C(N)=O;HLCMLEAWAOMNQY-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275743;MM275743;CC(=O)NC(=CN)C(N)=O;IAJNZIICCZBKCG-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275744;MM275744;CC(=O)NC(=CF)C(N)=O;CVPLYQWYDHCICB-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275745;MM275745;CC=C(NC(=N)N)C(N)=O;PYFDVJZOXNDLLY-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275746;MM275746;CN(C)N(C)C(=N)C(=O)O;LMJYZLKJVVNEDC-UHFFFAOYSA-N;145.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275747;MM275747;C=C(F)C(=CC)NC(=N)N;PZOMYLWBUAWICS-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275748;MM275748;C=C(F)C(=CF)NC(=N)N;PXFNZWJWDGBBQB-UHFFFAOYSA-N;147.13;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275749;MM275749;C=C(C)NC(=NC)C(=C)C;GAZYCQUGNPLGGJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275750;MM275750;C=C(C)C(=NO)NC(C)=O;GFYSYAUYWXSGAA-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275751;MM275751;C=C(C)C(=NN)NC(=N)N;GENVDAKVQJBLNE-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275752;MM275752;C=C(C)C(=NN)NC(N)=O;IGKSEVXBILZJJR-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275753;MM275753;C=C(C)NC(=NN)C(=N)N;NXAQPYWWTYKAIV-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275754;MM275754;C=C(C)N=C(NO)C(=N)N;HBSPNDXESYXHNI-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275755;MM275755;CC(=N)NC(=NN)C(=N)N;ZNWSBBGEPFSLFA-UHFFFAOYSA-N;142.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275756;MM275756;CC(=N)NC(=NO)C(=N)N;LSNQPJFUBHXADT-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275757;MM275757;CC(=O)NC(=NN)C(=N)N;HKJCTHWLBDSYOR-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275758;MM275758;CC(=O)NC(=NO)C(=N)N;MPSIFEADHKUNOC-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275759;MM275759;N=C(N)NC(=NO)C(=N)N;BWGXUMCATOGKNZ-UHFFFAOYSA-N;144.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275760;MM275760;C#CCC(F)(C#C)C(=N)N;XPFDQPWFDJACIX-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275761;MM275761;CN(N)C(=O)OCC(N)=O;ZIQBEKAUKPRYDN-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275762;MM275762;CN=C(NC(C)=O)C(N)=O;YMHYSHVRLDXZIZ-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275763;MM275763;CC(=O)NC(=NN)C(N)=O;CJSWBJIGUYHNEI-UHFFFAOYSA-N;144.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275764;MM275764;CC(=O)NC(=NO)C(N)=O;DGDXGRTZBODXHL-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275765;MM275765;O=c1o[nH]c(=NCCO)o1;HGZCYSLUPONHAN-UHFFFAOYSA-N;146.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275766;MM275766;CON=C(N)CC(=O)O;UHCKYQYSVAYLBT-UHFFFAOYSA-N;132.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275767;MM275767;NN=C(C=CC(=O)O)NO;BKXBXCNCBDUFQA-UHFFFAOYSA-N;145.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275768;MM275768;N=c1cc(O)n(N)c(O)n1;ZGGGOUAZJRPXNP-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275769;MM275769;CC=C(OC(C)=O)C(C)=O;VOKUJGXVUAESLN-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275770;MM275770;CC(=O)OC(=CF)C(C)=O;NJDAEEHGWCVNLI-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275771;MM275771;CC(=O)OC(=CN)C(=N)N;BZSJPRSAEHPVAK-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275772;MM275772;CC(=O)OC(=CF)C(=N)N;USBWUAMVERZTGB-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275773;MM275773;CC(=O)OC(=CN)C(N)=O;LQSJNNNOQCMMKH-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275774;MM275774;CC(=O)OC(=NN)C(N)=O;NIEUMQMGPYYDJP-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275775;MM275775;CC(=O)OC(=NO)C(N)=O;ZTYCVGXJVZXXNM-UHFFFAOYSA-N;146.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275776;MM275776;NN=C(OC(N)=O)C(N)=O;YTDGPHLYDLMERG-UHFFFAOYSA-N;146.11;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275777;MM275777;CC(=CF)OCCC(=O)O;JMFRDHWZXSBMJM-UHFFFAOYSA-N;148.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275778;MM275778;C#CC(C)(CC(=O)O)OC;CTDYCZZXTIRYHP-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275779;MM275779;CC#CCOCCC(=O)O;GUDLXUMFUXFSQU-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275780;MM275780;CNc1nc(=O)c(F)n[nH]1;WFCLVFVICSULOX-UHFFFAOYSA-N;144.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275781;MM275781;C=COCONC(=O)CO;FAHVCVFKJDWXMC-UHFFFAOYSA-N;147.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275782;MM275782;CC(F)=CC(CN)C(C)C;UUVAPARKWPEVSD-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275783;MM275783;CC(C)C(C=C(F)F)CN;MOXHDYGYVLONMS-UHFFFAOYSA-N;149.18;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275784;MM275784;CCC(C=C(C)F)C(C)N;GWSLHVQOPWQWGT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275785;MM275785;CC(F)=CC(CN)C(C)N;WOGKSUSLQGJHHH-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275786;MM275786;CC(F)=CC(CF)C(C)N;ZYQOCDMQZFUYCM-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275787;MM275787;CC(N)C(C=C(F)F)CF;ONENTWAWBUXFDX-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275788;MM275788;CC(C)=CC(CN)C(C)O;XIYUADNVQWKGLL-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275789;MM275789;CC(C)=CC(CF)C(C)O;YZQIDEFSRJEKCA-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275790;MM275790;CC(F)=CC(CF)C(C)O;XHSBYAXAVRODAR-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275791;MM275791;CC(C)=CC(CN)C(C)F;DZMPOCMZNQOAKP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275792;MM275792;CC(F)C(C=C(F)F)CN;SOCIJIPNFKVKKO-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275793;MM275793;CC(F)C(C=C(F)F)CF;SWNIXJMLHIZLBM-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275794;MM275794;CC(C)=CC(CN)C(F)F;JUIUOKFOJXTOGC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275795;MM275795;CNC(C=C(C)C)C(C)C;BIFCBQIBFXBIPF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275796;MM275796;CNC(C=C(C)F)C(C)C;ZNGLPIINGFKZRY-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275797;MM275797;CNC(C=C(F)F)C(C)C;PQCIHCAFCBQCCN-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275798;MM275798;CNC(C=C(C)C)C(C)N;UMGWJUVAHUZCNX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275799;MM275799;CNC(C=C(F)F)C(C)N;RWFQMLFPWVMLMW-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275800;MM275800;CCN(N=C(C)C)C(C)C;FQBTUCJQGSWWGU-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275801;MM275801;CC(C)=CC(C=O)C(C)C;MEUKOJCVTDIBFH-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275802;MM275802;CC(F)=CC(C=O)C(C)C;ORJAOTZFKKRIGZ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275803;MM275803;C=CC(C=C(F)F)C(C)C;SHZPIPSGSHYIBZ-UHFFFAOYSA-N;146.18;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275804;MM275804;CC(C)C(C=O)C=C(F)F;GLSFTIVMADQJFW-UHFFFAOYSA-N;148.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275805;MM275805;C=CC(C=C(C)C)C(C)N;BVBYDQSMEGJGBC-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275806;MM275806;C=CC(C=C(C)F)C(C)N;FURMDGRUJNFRLO-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275807;MM275807;C=CC(C=C(F)F)C(C)N;FXWWFDLLZLMNAZ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275808;MM275808;C=CC(C=C(C)F)C(C)O;GLSKSCDQSUZPTG-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275809;MM275809;C=CC(C=C(F)F)C(C)O;YUTZCEBASRRGKH-UHFFFAOYSA-N;148.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275810;MM275810;CC(O)C(C=O)C=C(F)F;KSDYRWRIXWNTHE-UHFFFAOYSA-N;150.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275811;MM275811;CC(F)=CC(C=O)C(C)F;DSSCXYLQIICPGN-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275812;MM275812;CC(F)C(C=O)C=C(F)F;SIXRGUJFQWHNGK-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275813;MM275813;C=CC(C=C(C)F)C(F)F;BJRAGLYDZPVCBC-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275814;MM275814;COC(C)=NOCC(N)=O;YZVCFXQEVOWWFW-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275815;MM275815;CC(C)=CN(C=N)C(C)C;ZNXJALSIKWWOIR-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275816;MM275816;CC(C)=CN(C=O)C(C)C;RLJZTEQKANNHHV-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275817;MM275817;CC(F)=CN(C=O)C(C)C;HEIVIFXBHZAQOB-UHFFFAOYSA-N;145.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275818;MM275818;CC(C)N(C=O)C=C(F)F;VEHKDLWTUYIADM-UHFFFAOYSA-N;149.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275819;MM275819;CC(C)=NN(C=N)C(C)C;BLWFEUSQSYVQIF-UHFFFAOYSA-N;141.22;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275820;MM275820;C#CC(C=C(C)C)C(C)C;AKZGHXLBGLWTDY-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275821;MM275821;C#CC(C=C(F)F)C(C)C;XGSSYAXQOFDSBF-UHFFFAOYSA-N;144.16;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275822;MM275822;C#CC(C=C(C)C)C(C)N;PLGQZBOOGUCGNJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275823;MM275823;C#CC(C=C(F)F)C(C)N;QBOLPHQDXVDNKO-UHFFFAOYSA-N;145.15;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275824;MM275824;C=C(CC(C)O)C(=O)NC;SYWBXSKBPCQIEQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275825;MM275825;C=C(C)C(C=C(F)F)CN;LIKHRYCRRQFVKC-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275826;MM275826;C=C(C)C(C=C(F)F)CF;ZROQIHBGVCUPBT-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275827;MM275827;CC(=O)C(C=C(C)C)CO;WUBVKHXOAXCIHT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275828;MM275828;CC(=O)C(C=C(C)F)CF;NJNQUTOGMCJQID-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275829;MM275829;CCC(C=C(C)C)C(=N)N;RKOISUFXPVYBTG-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275830;MM275830;CC(C)=CC(CN)C(=N)N;HGEGKJHGJKNLIR-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275831;MM275831;CC(C)=CC(CF)C(=N)N;QZCMHJSMVRJHRD-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275832;MM275832;CCC(C=C(C)F)C(=N)N;NJJHYVWCSXCDKY-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275833;MM275833;CC(F)=CC(CO)C(=N)N;PDPQGYJFZIVLTE-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275834;MM275834;CC(F)=CC(CF)C(=N)N;GSHIBFFIGDGIHM-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275835;MM275835;CCC(C=C(F)F)C(=N)N;FSIRLHTUOIQBGO-UHFFFAOYSA-N;148.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275836;MM275836;N=C(N)C(C=C(F)F)CF;LNBNATISDWRDCN-UHFFFAOYSA-N;152.12;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275837;MM275837;CC(=O)ON(C=N)CCO;LSMPTGCRRIKUOK-UHFFFAOYSA-N;146.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275838;MM275838;CCC(C=C(C)F)C(N)=O;ZANBTAJEFDCDIG-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275839;MM275839;CC(F)=CC(CF)C(N)=O;BYOVBJRGEWLZDW-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275840;MM275840;CCC(C=C(F)F)C(N)=O;QUGZIQHTXHMYMD-UHFFFAOYSA-N;149.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275841;MM275841;CC(C)=CC(CF)C(=O)O;CLVAEECNIUSQEE-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275842;MM275842;CCC(C=C(F)F)C(=O)O;DIQSWQCRQGFBHR-UHFFFAOYSA-N;150.12;1.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275843;MM275843;O=C(O)C(C=C(F)F)CF;RKDLGRXRMBCVJE-UHFFFAOYSA-N;154.09;1.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275844;MM275844;C=C(F)C(C=C(C)F)CN;ZKEIQPPETBDWOU-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275845;MM275845;C=C(F)C(C=C(F)F)CN;YDVYPIZYDYWCML-UHFFFAOYSA-N;151.13;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275846;MM275846;C=C(C)C(C=C(C)C)NC;CVWFGTQGMLBUCE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275847;MM275847;C=C(C)C(C=C(C)F)NC;GPGGFEDTTJZYST-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275848;MM275848;CNC(C=C(C)C)C(=N)N;WVVUKSGPUKOULF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275849;MM275849;COC(C=C(C)C)C(C)=O;PIDXJLGRKISNKS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275850;MM275850;CC(C(=O)O)C(F)CO;OFNMAZRLSOSQTD-UHFFFAOYSA-N;136.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275851;MM275851;CCN(C=C(C)C)C(C)=O;ITBYBTIVFFDGQE-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275852;MM275852;CCN(C=C(F)F)C(N)=O;PCHPFVFHIFHXTC-UHFFFAOYSA-N;150.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275853;MM275853;CNN(C=C(C)F)C(C)=N;KEIXNGSEOVKANY-UHFFFAOYSA-N;145.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275854;MM275854;CNN(C=C(C)C)C(C)=O;RMDFUPKQKGDCFX-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275855;MM275855;CNN(C=C(F)F)C(C)=O;LRBRMYALNRRFKC-UHFFFAOYSA-N;150.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275856;MM275856;COCC=NOCC(N)=O;MYPSTYFGLJMQOZ-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275857;MM275857;CON(C=C(C)C)C(C)=N;PODALMNMNJEBAY-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275858;MM275858;CON(C=C(C)C)C(C)=O;FIUBEKASYJYBKZ-UHFFFAOYSA-N;143.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275859;MM275859;CON(C=C(F)F)C(C)=O;OKAOMYOGIADQLV-UHFFFAOYSA-N;151.11;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275860;MM275860;C=C(C)C(C=O)C=C(C)C;ARJTZMIWCOAMGP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275861;MM275861;C=C(C)C(C=O)C=C(C)F;RIDGNGUSTIJGAA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275862;MM275862;C=CC(C=C(F)F)C(=C)C;WJRJWQZQJFVAPR-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275863;MM275863;C=C(C)C(C=O)C=C(F)F;XVLCFUCCQRPXRR-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275864;MM275864;C=CC(C=C(C)C)C(C)=O;SJDYUABPPYIXCL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275865;MM275865;C=CC(C=C(C)F)C(C)=O;FOMIAMPUVFIARD-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275866;MM275866;C=CC(C=C(C)C)C(=N)N;JRYCIWMJBGGOMW-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275867;MM275867;C=CC(C=C(C)F)C(=N)N;HDLXRQIAPXIQTA-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275868;MM275868;N=C(N)C(C=O)C=C(F)F;HYBISDGNFXCGNB-UHFFFAOYSA-N;148.11;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275869;MM275869;N#CC(C=C(F)F)C(=N)N;WPNOJNMASXXQFR-UHFFFAOYSA-N;145.11;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275870;MM275870;CCOC=NOCC(N)=O;JORYCSONTVQLKW-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275871;MM275871;CC(C)=CC(C=O)C(N)=O;CBZJRLYWVVTTEF-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275872;MM275872;C=CC(C=C(C)F)C(N)=O;RJWXJKYNTQKWFC-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275873;MM275873;CC(F)=CC(C=O)C(N)=O;ICQPDLZNUWCRJC-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275874;MM275874;CC(F)=CC(C#N)C(N)=O;RDNMXEUHGUWGIH-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275875;MM275875;C=CC(C=C(F)F)C(N)=O;VEAMYHSRLIZVEU-UHFFFAOYSA-N;147.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275876;MM275876;C=CC(C=C(C)C)C(=O)O;QJZBNPSVTMGNSR-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275877;MM275877;C=C(F)C(C=O)C=C(C)C;OTMUYLUGRLGECF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275878;MM275878;C=CC(C=C(F)F)C(=C)F;VHVFGDBAZOAIEC-UHFFFAOYSA-N;148.13;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275879;MM275879;C=C(F)C(C=O)C=C(F)F;XWHDYOUNENCINZ-UHFFFAOYSA-N;150.1;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275880;MM275880;C=C(C)N(C=N)C=C(C)C;HNZDYBQMMGRPBN-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275881;MM275881;CC(F)=CN(C=N)C(=N)N;PQVMCBWLFPVIFQ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275882;MM275882;C=CN(C=C(C)F)C(N)=O;PPOVWNBTRSXSQM-UHFFFAOYSA-N;144.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275883;MM275883;CC=NNCC(F)=CCO;KNIRAEBQELHVFT-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275884;MM275884;CC(F)=CN(C=O)C(N)=O;DELAHUSRBDJYAC-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275885;MM275885;C=NN(C=C(C)F)C(C)=N;BXURUEGIZFSHCM-UHFFFAOYSA-N;143.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275886;MM275886;C=NN(C=C(F)F)C(C)=N;WJUPFJUKHIXSKJ-UHFFFAOYSA-N;147.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275887;MM275887;C=NN(C=C(C)F)C(C)=O;MGNOOETWMBWDCO-UHFFFAOYSA-N;144.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275888;MM275888;C=NN(C=C(C)F)C(=N)N;NCTVCKJJXLOFGQ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275889;MM275889;C=NN(C=C(F)F)C(N)=O;BXHAPXNIJWFMOU-UHFFFAOYSA-N;149.1;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275890;MM275890;C=CN(N=C(C)C)C(C)=O;RKXOIFZILXROKS-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275891;MM275891;CC(=O)N(C=O)N=C(C)C;PCANQZSAOKPTET-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275892;MM275892;C=CN(N=C(C)C)C(=N)N;OPKQAHOTVMALBJ-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275893;MM275893;NN=COCC(F)=CCO;NLJRRWIKVTXBOS-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275894;MM275894;C#CC(C=C(C)C)C(=C)C;ULNWWKQCGFAQNB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275895;MM275895;C#CC(C=C(C)F)C(=C)C;DMTOVJIZCXMMAG-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275896;MM275896;C#CC(C=C(F)F)C(=C)C;GHNYHKXYJYXTBS-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275897;MM275897;C#CC(C=C(C)C)C(C)=O;JDMTYRVZCCBTGQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275898;MM275898;C#CC(C=C(C)F)C(C)=O;IABPZWHCMBWMOX-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275899;MM275899;C#CC(C=C(F)F)C(C)=O;FRQWZSGGOCXYCD-UHFFFAOYSA-N;144.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275900;MM275900;CC(C)C(C=C(F)F)=CF;TVXUFOFLHNOALP-UHFFFAOYSA-N;150.14;3.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275901;MM275901;CC(F)=CC(=CF)C(C)N;YAVLYMOGBBMWPX-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275902;MM275902;CC=C(C=C(F)F)C(C)N;PJFZMFNPFWYOKV-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275903;MM275903;CC(C)=CC(=NN)C(C)C;AHRRLVLTSVBWAD-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275904;MM275904;CC=NOCC(F)=CCO;PQRMIZCEGZIUCV-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275905;MM275905;C#CC(C=C)N(N)C(N)=O;KVAICJHLBGZOQZ-UHFFFAOYSA-N;139.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275906;MM275906;CC(C)C(C=C(F)F)=NN;YADMYKPJLMNEBG-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275907;MM275907;CC(O)C(=O)NOCCO;WACCKJSMXMTYPJ-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275908;MM275908;CC(F)C(C=C(F)F)=NN;SRGXAXZOBHRWMN-UHFFFAOYSA-N;152.12;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275909;MM275909;C=NN(C=O)C(=C)C(N)=O;MJHGXWKGKIRVFQ-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275910;MM275910;COC=C(C)N(N)C(N)=O;LYCACJNOABRIKR-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275911;MM275911;CN=C(C=C(C)N)N(C)N;AXGYCUYLXKHJTE-UHFFFAOYSA-N;142.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275912;MM275912;C=CNC(=NNC)C(N)=O;WBEYOEZTEDLOBY-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275913;MM275913;N=c1oc(=O)on1CCO;LLXFEOJXFQPNPL-UHFFFAOYSA-N;146.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275914;MM275914;N=c1oc(=O)on1CC=O;ILMJCHHHEGOPNW-UHFFFAOYSA-N;144.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275915;MM275915;C#CC1(C)NC1C(=O)NC;LDZKRKAPDDIFCB-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275916;MM275916;CC(F)=CC(=NO)N(C)O;ZVHJVOTYKKQGAZ-UHFFFAOYSA-N;148.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275917;MM275917;NC(=O)CNN(C=O)C=O;WWZWSMIXCUGZGV-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275918;MM275918;CN(O)C(C=C(N)N)=NO;HHGQNOLQKIAINM-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275919;MM275919;CON(CCO)C(=N)C=O;QWBJPIWSIDCSIY-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275920;MM275920;CC=C(C=C(C)C)C(C)=O;BFVKEIABEDUCPQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275921;MM275921;CC(=O)C(C=C(C)C)=CN;YBYHZNLPVVXJAJ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275922;MM275922;CC=C(C=C(C)F)C(C)=O;CADMOEZUKMCOQY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275923;MM275923;CC(=O)C(C=C(C)F)=CN;LOSNJGZFFDTPKZ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275924;MM275924;CC(=O)C(C=C(C)F)=CF;SPTRAEGKKJYECN-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275925;MM275925;CC=C(C=C(F)F)C(C)=O;OWJUZXVQOHZZLK-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275926;MM275926;CC(=O)C(C=C(F)F)=CN;ORLOOTKZXKFYQF-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275927;MM275927;CC(C)=CC(=CF)C(=N)N;WOPMHXDLNXJARQ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275928;MM275928;CC=C(C=C(F)F)C(=N)N;UGHVLNZXUHFNLY-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275929;MM275929;NC=C(C=C(F)F)C(N)=O;PBLJCZHNRPDUAH-UHFFFAOYSA-N;148.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275930;MM275930;CC=C(C=C(C)C)C(=O)O;NMAFWCAYHQYRKO-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275931;MM275931;CC=C(C=C(F)F)C(=O)O;JGSKHKDADRETRG-UHFFFAOYSA-N;148.11;1.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275932;MM275932;CON(CCO)C(=N)C#N;BTYXVMPLCLCCDO-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275933;MM275933;CNN=CN(CCO)OC;UGPLVJMXFLLBSZ-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275934;MM275934;C=C(C)C(C=C(F)F)=NN;KPRFVLRFWIUELW-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275935;MM275935;CC(N)=CC(=NN)C(=N)N;KXZDRNCIMLNMSY-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275936;MM275936;CC(=N)C=C(NN)C(N)=O;HUVVQGQDWJBBRP-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275937;MM275937;C=CC(C)N(N=C)C(N)=O;JNNAQHDDIJMDBI-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275938;MM275938;CC(F)=CC(=NO)C(N)=O;NYBHGQKWZHDHBB-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275939;MM275939;N=C(N)C=C(NO)C(N)=O;VUDZRPDHSHIZPF-UHFFFAOYSA-N;144.13;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275940;MM275940;O=C(O)C1CC1CO;QAKGVPAQOZSDOZ-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275941;MM275941;O=C(O)C1CC(O)C1;ZSHGVMYLGGANKU-UHFFFAOYSA-N;116.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275942;MM275942;C#CC(=CF)C(C#N)=NO;GCFNAVQRNYWORT-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275943;MM275943;CCC(=CC(C)N)C(C)C;STMSBMSAZPQPGJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275944;MM275944;CC(N)C=C(CF)C(C)C;NFIHOQBHPDIXJI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275945;MM275945;CC(O)C=C(CN)C(C)C;ZLBGCFKNXBSIQC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275946;MM275946;CC(F)C=C(CN)C(C)C;XEGOYZDQZMWCQE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275947;MM275947;CCC(=CC(C)F)C(C)N;CTJIKVOJBNKTAZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275948;MM275948;CC(F)C=C(CN)C(C)N;SRLFMDMDGQKIPA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275949;MM275949;CC(C)C=C(CN)C(C)O;NQVBQGRMWSZTEK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275950;MM275950;CCC(=CC(F)F)C(C)O;BPMUXVNOHIXQRR-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275951;MM275951;CC(C)C=C(CN)C(C)F;OJTSJEMZCPNRQB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275952;MM275952;CCC(=CC(C)N)C(C)F;OUNMRHLPIHXAET-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275953;MM275953;CC(N)C=C(CN)C(C)F;LRDVERKJKBUWFA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275954;MM275954;CCC(=CC(F)F)C(C)F;OZDYGRIARXMFPX-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275955;MM275955;CC(F)C(=CC(F)F)CN;JSIMJPHHOQKNLI-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275956;MM275956;CCC(=CC(C)N)C(F)F;UQGFOJPZGCFDET-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275957;MM275957;CC(O)C=C(CN)C(F)F;KCERREWPAQPMOF-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275958;MM275958;CCC(=CC(C)F)C(F)F;WNLFQSJNSYFEDO-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275959;MM275959;COC(=CC(C)O)C(C)N;YBIKSQHMWJQFOZ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275960;MM275960;COC(=CC(C)N)C(C)F;CVOPNWYHAPIAGL-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275961;MM275961;CCC(=NN(C)C)C(C)C;VMAJXRLQLVTNSA-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275962;MM275962;CNN(C=COC)C(N)=O;XNUFMOAPQBUIGA-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275963;MM275963;CN(C)N=C(CO)C(F)F;UNWIOENDPHNDMR-UHFFFAOYSA-N;152.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275964;MM275964;CC(C)N=C(CO)N(C)C;OINREBKHJYWWGV-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275965;MM275965;CC(NC=O)C(CF)=NN;PZQGQPIRBBNYKJ-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275966;MM275966;CNC(=NC(C)C)N(C)C;HRTOOQZMAATGRK-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275967;MM275967;CCC(=NN(C)C)N(C)C;SLSUZVHBVDZOED-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275968;MM275968;CN(C)N=C(CN)N(C)C;NKZIZJIZXNWMPV-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275969;MM275969;CN(C)N=C(CO)N(C)C;BDYMPSCLGYQMPH-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275970;MM275970;CN(C)N=C(CF)N(C)C;POGGGAQWRYRTIZ-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275971;MM275971;CN(C)N=C(NN)N(C)C;DRGPZFDVWBIONM-UHFFFAOYSA-N;145.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275972;MM275972;CN(C)N=C(NO)N(C)C;FSLCFIPFKYFQEK-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275973;MM275973;CNC(=NN(C)C)N(C)N;CAZGIOPBEANYHU-UHFFFAOYSA-N;145.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275974;MM275974;CN(C)N=C(NN)N(C)N;QYIKOMFAGIXRED-UHFFFAOYSA-N;146.2;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275975;MM275975;CNC(=NN(C)C)N(C)O;NMEGWNBPCMBYFK-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275976;MM275976;COC(=NN(C)C)N(C)N;XQOVLZQEMHPRCV-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275977;MM275977;CC(F)C=C(C=O)C(C)C;YKZHSPPIOJMHTH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275978;MM275978;C=CC(=CC(F)F)C(C)C;WFBCWEPXYVQINW-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275979;MM275979;CC(C)C(C=O)=CC(F)F;LFTFLAUDXJESTJ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275980;MM275980;C=CC(=CC(C)N)C(C)N;UMOFPFBUIOYBEA-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275981;MM275981;CC(C)C=C(C=O)C(C)O;QVKCEYOWNDQNDG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275982;MM275982;CC(O)C=C(C=O)C(C)O;WFIIUMPUQQJERT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275983;MM275983;CC(O)C=C(C#N)C(C)F;PKTATVOJPLONNA-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275984;MM275984;C=CC(=CC(F)F)C(C)F;XLGMPQDNCYBVPV-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275985;MM275985;C=CC(=CC(C)N)C(F)F;JXCADPPMPHIJRJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275986;MM275986;C=CC(=CC(C)F)C(F)F;TWTKYRJHJITJAS-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275987;MM275987;CC(C)C(C=O)=CN(C)C;VLALSWVWEXSVDB-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275988;MM275988;CC(F)C(C=O)=CN(C)C;KKDOCVMKIKAMPF-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275989;MM275989;C=CC(=NN(C)C)C(C)C;PMCKOAVSDDQJEH-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275990;MM275990;CC(C)C(C=O)=NN(C)C;PYEWVIBKKWOLED-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275991;MM275991;CC(C)C(C#N)=NN(C)C;PTGKDCINWXPPEY-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275992;MM275992;CC(C)N=C(C#N)N(C)C;NLUMTKYHUNQUMJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275993;MM275993;C=CC(=NC(C)C)N(C)N;IXFHTBZBENYOJR-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275994;MM275994;CN(C)N=C(C=O)N(C)O;BONOQLIJHMSNRJ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275995;MM275995;C#CC(=CC(C)C)C(C)C;KBYDDIWLRPESPW-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275996;MM275996;C#CC(=CC(C)F)C(C)C;JDXVVFRRABDKDK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275997;MM275997;C#CC(=CC(C)N)C(C)N;WAEJFAQEMPBECC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275998;MM275998;C#CC(=NC(C)C)N(C)C;XGPYWNILZKQJCS-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM275999;MM275999;CC(C)C(=CC(=N)N)CN;VQGSQOCTUOEBHV-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276000;MM276000;CCN=C1CNC(OC)=N1;ITWCXWDQNNLYDZ-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276001;MM276001;CC(C)C(=CC(N)=O)CN;BPAQGKTUXIWNGS-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276002;MM276002;C=Cc1cc(C=NN)c[nH]1;DQAFMCPPIIWDGJ-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276003;MM276003;CCC(=CC(=O)O)C(C)C;HBAXULPMVFVFHS-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276004;MM276004;CC(C)C(=CC(=O)O)CF;HZHZNBUJWVCFGE-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276005;MM276005;C=C(F)C=C(CN)C(C)C;LJAFZIHHJAWZDU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276006;MM276006;C=C(C)C=C(CN)C(C)N;DTLXAOAQVUTEDA-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276007;MM276007;NC(=O)NCCC(=O)O;JSJWCHRYRHKBBW-UHFFFAOYSA-N;132.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276008;MM276008;C=C(C)C=C(CN)C(C)F;XEQWUXGYSGMVQJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276009;MM276009;CC(=O)C=C(CF)C(C)F;YABSCGAZJYWGNQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276010;MM276010;CC(F)C(=CC(=N)N)CO;WONZFWLHAFDWKZ-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276011;MM276011;CC(F)C(=CC(=N)N)CF;FYJNZQYRWKORTI-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276012;MM276012;COC(=NN)C1CC(O)C1;FIGJHIYRZCFJDS-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276013;MM276013;CNc1c[nH]c(N=O)c1C;VPABJCXSHNEKSE-UHFFFAOYSA-N;139.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276014;MM276014;CCC(=CC(=O)O)C(C)F;DJPVJGGYQJKZIQ-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276015;MM276015;C=C(F)C=C(CN)C(C)F;KBRUIIHHOHSOBJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276016;MM276016;C=C(C)C=C(CN)C(F)F;DUHMJKXAIGDHLF-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276017;MM276017;CN(C)N=C(N)C(N)=O;ZPSZSBNJWYVRBW-UHFFFAOYSA-N;130.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276018;MM276018;CNC(=CC(=N)N)C(C)C;IUELFGMZPPNNGH-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276019;MM276019;NN(CCO)C(=O)CF;VEYDVISMUUCJOS-UHFFFAOYSA-N;136.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276020;MM276020;CNC(=CC(=N)N)C(C)O;MBNVCLWIOSGWBP-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276021;MM276021;CNC(=CC(N)=O)C(C)O;FTOMBPGKXMQVLX-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276022;MM276022;CN=C(C(N)=O)N(C)N;BZENVHAXGOJUOQ-UHFFFAOYSA-N;130.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276023;MM276023;CNc1cc(C#N)c[nH]1;BAJQVVFUPACOJY-UHFFFAOYSA-N;121.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276024;MM276024;COC(=CC(=N)N)C(F)F;FAIDAZLROWAGGQ-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276025;MM276025;COC(C)=CN(N)C(N)=O;MKDZPCXALQTKON-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276026;MM276026;CC(=N)N=C(CN)N(C)C;GTCKKPFLYSEGDC-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276027;MM276027;CN(CCO)CC(=O)C=O;RYDYEDHVGTUYQW-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276028;MM276028;C#CCC(=O)C(C)NN=C;HCRFUHODKMYZOD-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276029;MM276029;CCOC=CN(N)C(N)=O;IHAYBSIIRKQTAV-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276030;MM276030;CC(=NN=CNN)C(N)=O;HBJHSMRIYMLZMW-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276031;MM276031;CCC(=NC(=N)N)N(C)N;HHNMCWLOPCPJDX-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276032;MM276032;CN(N)C(CF)=NC(=N)N;YNXFHEOZQZWKJY-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276033;MM276033;NN=CC(=CCO)OC=O;ONRUOIVCUGEVMD-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276034;MM276034;C=NNC(COC)C(N)=O;GNCVERRYGQHGHL-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276035;MM276035;CC(=O)N=C(CO)N(C)O;KMSXQIUDBYYKPS-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276036;MM276036;CCC(=NC(=N)N)N(C)O;BYUWFOJYLKZJQV-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276037;MM276037;CN(O)C(CN)=NC(=N)N;CCHMSJVACVBDSG-UHFFFAOYSA-N;145.17;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276038;MM276038;CN(O)C(CF)=NC(=N)N;CXQMPXOMSKBTAE-UHFFFAOYSA-N;148.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276039;MM276039;CC(=N)N=C(NN)N(C)N;PHNKKQBRNOKHDT-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276040;MM276040;CC(=N)N=C(NO)N(C)N;ZOGCSXFOMFNODD-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276041;MM276041;CNC(=NC(C)=O)N(C)N;LFBOVMSQGAHABM-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276042;MM276042;CNC(=NC(=N)N)N(C)N;LJJDLOHTQSGLQD-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276043;MM276043;CC(=N)N=C(NN)N(C)O;NEDQREMCQAUSTE-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276044;MM276044;C=C(C)C(=CCO)C(N)=O;CMQLMRHNPWWIHX-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276045;MM276045;CC(C#N)NCC(=O)CF;LDYDHVPPUXGRFG-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276046;MM276046;COC(=NC(C)=N)N(C)N;VIBBXVGQXPBRHG-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276047;MM276047;C=CC(=O)NC(C=C)CF;QEXFVILFIOEYOY-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276048;MM276048;C=CC(=CC(=N)N)C(C)C;ZNMVVLHHQYZUBS-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276049;MM276049;CC(C)C(C=O)=CC(=N)N;FQVIIGLJAKNLQL-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276050;MM276050;CC(C)C(C#N)=CC(=N)N;OKPNYPAGVUHOIB-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276051;MM276051;CNN(CCO)C(=O)CF;HMYUGHXOLWEOCT-UHFFFAOYSA-N;150.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276052;MM276052;N=CN(CCO)C(=O)CF;HOQZNUPGXIARCY-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276053;MM276053;C=CC(=CC(=O)O)C(C)C;ORUSOJHMMHURSZ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276054;MM276054;C=C(C)C=C(C=O)C(C)O;AAJQOCQZDHWDRY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276055;MM276055;CC(O)C(C#N)=CC(N)=O;LTDHNYWBONIQHI-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276056;MM276056;Cc1onc(O)c1O;VPIFAUQOQDKDLJ-UHFFFAOYSA-N;115.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276057;MM276057;C=C(C)C=C(C=O)C(C)F;QWBIZQPPAWEMKE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276058;MM276058;C=CC(=CC(C)=O)C(C)F;SGVFLRANIADYOS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276059;MM276059;CC(=O)C=C(C=O)C(C)F;AINJGNMDQZITFK-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276060;MM276060;N#CC(=CC(=N)N)C(F)F;JIELKMTVALECLT-UHFFFAOYSA-N;145.11;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276061;MM276061;COc1onc(O)c1N;LLDXWCRMPMBDEA-UHFFFAOYSA-N;130.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276062;MM276062;CC(=N)N=C(C=O)N(C)C;IAALTJZUAOMWAY-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276063;MM276063;CN(C)C(C=O)=NC(=N)N;CFOYEASSEGWXQB-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276064;MM276064;CN(C)C(C#N)=NC(N)=O;WOWIMHFJXAYKNR-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276065;MM276065;CC(=N)N=C(C#N)N(C)O;GZQCNZVIVQPCCL-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276066;MM276066;C#CC(=CC(=N)N)C(C)C;AJLLPZTYLGLYQD-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276067;MM276067;C#CC(=CC(=O)O)C(C)C;JUAXHOXCABIIIH-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276068;MM276068;C#CC(=CC(=N)N)C(C)N;XRUZNQOTWIPBRJ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276069;MM276069;CC#Cc1onc(O)c1N;GEQMQXZJDXVIRM-UHFFFAOYSA-N;138.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276070;MM276070;C=NN(CCO)C(=O)C=O;SGUSBYBEZJUTOY-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276071;MM276071;C#CC(=CC(N)=O)C(F)F;CTYDIRUXCHMJHW-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276072;MM276072;C#CC(=CC(=N)N)N(C)C;GQZHYWWSRLQGBT-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276073;MM276073;COC(=CCO)C(C)=NN;YXKAMCMFYOQSQK-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276074;MM276074;C#CC(=NC(=N)N)N(C)C;ZGCIJHQEWNDQMM-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276075;MM276075;C#CC(=NC(C)=N)N(C)N;OHOVEWVIBDMKDR-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276076;MM276076;C#CC(OC=C)ON=CC;KWGYTIRWWLBJIA-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276077;MM276077;C=C(C)C(=CC(C)N)CF;JLBFPPGJSQANEG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276078;MM276078;C=C(C)C(=CC(C)O)CF;ZPTKEIBUHSPFQH-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276079;MM276079;C=C(C)C(=CC(C)F)CN;QWARGFRCMRLAKT-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276080;MM276080;C=C(C)C(=CC(F)F)CN;PQWTZQIAWVVCBL-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276081;MM276081;CC(C)C=C(CN)C(=N)N;BQDWXVCVPBSHCP-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276082;MM276082;CC(O)C=C(CF)C(=N)N;UJJXDFHICLXASQ-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276083;MM276083;CC(F)C=C(CO)C(=N)N;CHSRKLFAVGVJPP-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276084;MM276084;N=C(N)C(=CC(F)F)CO;UIVUIGCDDHKFAE-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276085;MM276085;CC(C)C=C(CN)C(N)=O;IBLNADWPDDTHMB-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276086;MM276086;CCC(=CC(C)N)C(N)=O;YCJGTRPJYQYFFW-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276087;MM276087;CON=CN(CCO)OC;SZVOVDIGTWLZPX-UHFFFAOYSA-N;148.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276088;MM276088;CON(C=NC=N)CCO;PULLZKAUFZBXTI-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276089;MM276089;NC(=O)C(=CC(F)F)CO;ZZQJZIXQTSFXOI-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276090;MM276090;C=NN=CCC(=C)C(=O)O;AGCUENSBFPRJNZ-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276091;MM276091;C=C(F)C(=CC(C)C)CN;CWDMRKWTDUHMKF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276092;MM276092;C=C(F)C(=CC(C)O)CO;UCTUZHARFZNCKP-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276093;MM276093;COC(=CC(C)N)C(=N)N;DLSCEXFILFHZTE-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276094;MM276094;COC(=CC(C)O)C(=N)N;ASQWVXSBHCUJKZ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276095;MM276095;COC(=CC(C)F)C(=N)N;GTHRKKYEQJWSTJ-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276096;MM276096;COC(=CC(F)F)C(=N)N;DXBXOVQQNAYNGY-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276097;MM276097;COC(=CC(C)O)C(N)=O;OZTRVNNETCMIGQ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276098;MM276098;COC(=CC(F)F)C(N)=O;BNGMSPMEBDTRKZ-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276099;MM276099;C=CN(N)C(=NC)C(N)=O;MRTZVIVREMNUGM-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276100;MM276100;CCC(=CN(C)C)C(=N)N;FEQFVZWWPDELCO-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276101;MM276101;CN(C)C=C(CF)C(=N)N;IDPKNVPSYSDEKY-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276102;MM276102;COC(=CN(C)C)C(=N)N;CBYVHBFJUXMWSJ-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276103;MM276103;COC(=CN(C)C)C(N)=O;YSDRBQIYTCEWBH-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276104;MM276104;C=C(C)C(CC)=NN(C)C;VRTLASZFJAXCAR-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276105;MM276105;CC(=O)C(CO)=NN(C)C;IEVUWEBZZMMNDI-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276106;MM276106;CN(C)N=C(CN)C(=N)N;CKFOSFHVIPJJSE-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276107;MM276107;CN(C)N=C(CO)C(=N)N;VSWWXAWDTSUIST-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276108;MM276108;CN(C)N=C(CO)C(N)=O;WXAMLGJXTNDYJA-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276109;MM276109;C=Cc1n[nH]n(CC)c1=O;XUPVBQABRYJSAC-UHFFFAOYSA-N;139.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276110;MM276110;Cn1nc(O)nnc1=NO;ZTFGXEAZXYJNKS-UHFFFAOYSA-N;143.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276111;MM276111;COC(=NN(C)C)C(=N)N;NBDVKNLCLNSYSU-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276112;MM276112;C=C(F)C(=NN(C)C)OC;ZIWVNDWKBUFZGJ-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276113;MM276113;C=C(C)C(C=O)=CC(C)O;QKDGJJKPNBYOOB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276114;MM276114;C=C(C)C(C=O)=CC(C)F;QJEAUFJFEXNVJP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276115;MM276115;C=C(C)C(C=O)=CC(F)F;UNMORGGEKNAKQN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276116;MM276116;C=CC(=CC(C)O)C(C)=O;MRCOZBGXUGAFET-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276117;MM276117;CC(=O)C(C#N)=CC(C)O;CWSJXTCYKYFSSS-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276118;MM276118;CC(=O)C(C=O)=CC(C)F;OBMNNWDZVGVDSI-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276119;MM276119;C=CC(=CC(C)C)C(=N)N;DKALPZSKFZKFGT-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276120;MM276120;CC(C)C=C(C#N)C(=N)N;BFHOGDJXORBFOI-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276121;MM276121;CC(O)C=C(C#N)C(=N)N;ZPRYGBGUSPZFLU-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276122;MM276122;CNc1nn(C)c(=O)n1N;OKNDTZURRAIJBX-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276123;MM276123;CC(C)C=C(C#N)C(N)=O;BYTVVRHTBBWHHI-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276124;MM276124;CC(O)C=C(C#N)C(N)=O;WVCFBFCSGUAADA-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276125;MM276125;NC=C(CC(=O)O)C(N)=O;KCYSBIWAGMEQSZ-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276126;MM276126;C=CC(=CC(C)O)C(=C)F;IDGXRJXCIPJSSS-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276127;MM276127;C=C(C)C(C=O)=CN(C)C;SSWVZBLXKWQVCB-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276128;MM276128;C#CCN1C=NC(=NC)C1;CNOZSDQFWHQTBB-UHFFFAOYSA-N;135.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276129;MM276129;CC(=O)C(C#N)=CN(C)C;XLEZLQVGCSBJJE-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276130;MM276130;CN(C)C=C(C=O)C(=N)N;SOASBYMEWMTQHB-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276131;MM276131;C=C(C)C(C#N)=NN(C)C;IJFOUTZOZKTKNZ-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276132;MM276132;C=CC(=NN)C1CC(O)C1;VUVDEJFFCLEHFO-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276133;MM276133;NC(=O)N(N)CCC1CO1;WTSDIRXLDLEWNI-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276134;MM276134;C#Cc1noc(O)c1C;ABRLCWQQNACLLC-UHFFFAOYSA-N;123.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276135;MM276135;C=NN1C(C)C1C(=O)NC;HVQIFDZUDGRCHT-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276136;MM276136;C#CC(=CC(C)F)C(C)=O;VBRVWVOUTVASML-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276137;MM276137;C#CC(=CC(C)N)C(=N)N;KMHOADITXYHQQL-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276138;MM276138;C#CC(=CC(F)F)C(N)=O;VLTNKCMQUWTJMB-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276139;MM276139;CONC(=O)COC=NO;GHFADSFAKDXBAP-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276140;MM276140;C#CC(=CN(C)C)C(=N)N;WTUCBWCWLXITHS-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276141;MM276141;NC(=O)C=CCO;BVCMWIUOJDIFFP-UHFFFAOYSA-N;101.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276142;MM276142;ON=c1[nH]c(O)nn1O;YEPCMRZRPLLDJI-UHFFFAOYSA-N;132.08;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276143;MM276143;C=C(C)C(=CC(=N)N)CO;AAKHWALRROWHSA-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276144;MM276144;Cn1nnc(O)nc1=NN;SXZGVYLFQMSCAI-UHFFFAOYSA-N;142.12;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276145;MM276145;C=C(C)C=C(CN)C(=N)N;CJZBQKHLYXCCBL-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276146;MM276146;C=C(F)C=C(CO)C(=N)N;SEBBLYRXAVMSNX-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276147;MM276147;CC=NNC(N)=CC(=O)O;QRLDNRMSKBVVHC-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276148;MM276148;C=C(F)C=C(CO)C(N)=O;KQBQNVCDYGWXOA-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276149;MM276149;C=CCN=c1[nH]oc(=O)o1;NDUVQGIPXIYHAG-UHFFFAOYSA-N;142.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276150;MM276150;CC(=O)C(C)(F)CC(=O)O;NFWPUACKCOUUET-UHFFFAOYSA-N;148.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276151;MM276151;C=C(F)C(=CC(=N)N)CC;ODPQNTBCYXNVEQ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276152;MM276152;C=C(F)C(=CC(=N)N)CO;CYZKEGASSILSAE-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276153;MM276153;C=C(F)C(=CC(=N)N)CF;DSVKLUJZYWXELI-UHFFFAOYSA-N;146.14;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276154;MM276154;C=C(F)C(=CC(N)=O)CO;RTJPXTINXFQGEO-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276155;MM276155;CCC(F)=CC(N)=O;QSNDJCVLNKWHCO-UHFFFAOYSA-N;117.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276156;MM276156;C=C(C)C(=CC(=N)N)NC;BXLAVRBWVFVUON-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276157;MM276157;CNC(=CC(=N)N)C(=N)N;PDDMSCAYEQJLHM-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276158;MM276158;CNC(=CC(N)=O)C(=N)N;GNPIZLLREWIHDE-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276159;MM276159;CNC(=CC(=N)N)C(N)=O;YWGZVJXZOKOCHK-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276160;MM276160;C#CC=NNCC(N)=O;BZKFLSQKFJIWNR-UHFFFAOYSA-N;125.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276161;MM276161;CC(CCC(=O)O)OC=O;NDEIEVQQAIZUCJ-UHFFFAOYSA-N;146.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276162;MM276162;N#Cc1onnc(=O)c1O;FEGPXQUWIYMOOW-UHFFFAOYSA-N;139.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276163;MM276163;C=C(C)C(=CC(=N)N)OC;IJBCOHNFOZDTNU-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276164;MM276164;NN=CC#CCC(N)=O;PWLPOLTZSPIESB-UHFFFAOYSA-N;125.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276165;MM276165;COC(=CC(=N)N)C(=N)N;NAHXNHYXCHKPIO-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276166;MM276166;COC(=CC(N)=O)C(=N)N;SZNSKEBCLRFMJA-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276167;MM276167;C=C(F)C=C(OC)C(=N)N;QIWZXDXGCLTPCZ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276168;MM276168;COC(=CC(=N)N)C(N)=O;BZCKUGKFOMHLKX-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276169;MM276169;COC(=CC(N)=O)C(N)=O;XMTHTELVYIEIKK-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276170;MM276170;C=CC(=CC)OCC(=O)O;QEAZMRWVMWELFG-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276171;MM276171;C=C(F)C=C(OC)C(N)=O;SVGXSYLCVQIARW-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276172;MM276172;C=CC=C(C)OCC(=O)O;WZTMXNOOIGAKCQ-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276173;MM276173;C=C(F)C(=CC(=N)N)OC;FIDYAVXSXTZHJA-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276174;MM276174;NC(=O)C=CC#CCF;AZTFSEBXZXLTKD-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276175;MM276175;C=C(C)C(C#N)=CC(=N)N;FCADCMBZBSATNO-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276176;MM276176;CC(C#N)=C(C)C(N)=O;IBLCCPLQOQDCFQ-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276177;MM276177;C=CC(=CC(=O)O)C(=C)C;MHEWYWCICFORJZ-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276178;MM276178;C=CC(C)=COCC(=O)O;BNPGHDKUIAAZDM-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276179;MM276179;N#CC(=CC(=N)N)C(=N)N;LXXSLYARLYQWRL-UHFFFAOYSA-N;137.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276180;MM276180;C=CC(=CC(N)=O)C(=N)N;GXDWMOBQAKDNSF-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276181;MM276181;C=CC(=CC(=C)F)C(=N)N;SKZFSXVQVXEEOU-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276182;MM276182;C=C(F)C=C(C#N)C(=N)N;BAWRMPUCBQDCHI-UHFFFAOYSA-N;139.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276183;MM276183;C=C(C)C=C(C#N)C(N)=O;OZWARDGSVRJCDN-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276184;MM276184;C=CCOC(C)(C)C(=O)O;RCTTWIDJOGVOCS-UHFFFAOYSA-N;144.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276185;MM276185;CC1(CF)OC1CC(=O)O;BOMXCTWIJXHMPE-UHFFFAOYSA-N;148.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276186;MM276186;CC(=CC1CO1)C(=O)O;ZOQKOUJQZBDIGQ-UHFFFAOYSA-N;128.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276187;MM276187;C=CC(=CC(=N)N)C(=C)F;JTKFKCDBTUJINB-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276188;MM276188;C=NN(C=NC)CCO;OQYPFAJBNQUDGH-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276189;MM276189;C#CC(=CC(=O)O)C(=C)C;VHLWBUYFVDYOEH-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276190;MM276190;C#CC(=CC(=N)N)C(C)=O;NRIULXPHPBUOQP-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276191;MM276191;C#CC(=CC(=N)N)C(=N)N;LBMGZXKJIRJTTR-UHFFFAOYSA-N;136.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276192;MM276192;CC(C)=C(CF)CC(F)F;OCHXWCMPOUYVHR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276193;MM276193;CCC(CC(C)N)=C(C)F;BLQVNYLSPDAJKQ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276194;MM276194;CC(F)=C(CF)CC(C)N;RSAPUJAVVRHHDW-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276195;MM276195;CC(F)=C(CN)CC(C)O;SCVHFQBKVPMXTK-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276196;MM276196;CC(F)=C(CF)CC(C)O;BYWBEKXNUSPKEV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276197;MM276197;CC(F)=C(CO)CC(F)F;JGAGCZXBPZCOFG-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276198;MM276198;CC(C)CC(CN)=C(F)F;SJMCKWASPDXARW-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276199;MM276199;CCC(CC(C)N)=C(F)F;BSRACWFISNGFHQ-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276200;MM276200;CC(N)CC(CN)=C(F)F;CYSUNQABIFGANE-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276201;MM276201;CC(N)CC(CO)=C(F)F;WZCUDHYUZFMWHI-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276202;MM276202;CC(N)CC(CF)=C(F)F;TWHXRYXWLRCNIL-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276203;MM276203;CCC(CC(C)O)=C(F)F;XJRYUXFDMXIJER-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276204;MM276204;CC(C)=C(CO)OC(C)C;OGACLZIZZWXUDF-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276205;MM276205;CC(C)=C(CO)CN(C)C;OSKCVZXOOBLFBQ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276206;MM276206;CC(C)=C(CF)CN(C)C;AROOAGUFQPJNGQ-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276207;MM276207;CN(C)CC(CN)=C(F)F;PUXBGNYVPUBRHM-UHFFFAOYSA-N;150.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276208;MM276208;CC(C)=C(C=O)CC(C)O;OWQDMFWXAZUUPY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276209;MM276209;CC(C)=C(C#N)CC(C)O;NWMMPCFXZNSWAD-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276210;MM276210;CC(C)=C(C=O)CC(C)F;QGAJSSMUWXLNNW-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276211;MM276211;CC(C)CC(C=O)=C(N)N;PHMDQKPTKNGIBD-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276212;MM276212;CC(F)CC(C=O)=C(N)N;HQMUBNHBVGYSKB-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276213;MM276213;CC(C)CC(C=O)=C(F)F;IJMCCGIDJFFZLI-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276214;MM276214;C=CC(CC(C)N)=C(F)F;CFCCHWXYKCUOQP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276215;MM276215;CC(F)CC(C=O)=C(F)F;HJMUTJSDWKMMDH-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276216;MM276216;CC(N)=C(C=O)OC(C)C;XGGFKKKZSWTUCP-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276217;MM276217;CC(N)=C(C#N)OC(C)C;WBOUDYOHYAUWDF-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276218;MM276218;CC(C)OC(C=O)=C(N)N;LPHAQBSMRWBOIN-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276219;MM276219;CC(F)=C(C#N)CN(C)C;CEFNFLXXMJSETK-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276220;MM276220;CN(C)CC(C#N)=C(N)N;MSZGEABJZILHDB-UHFFFAOYSA-N;140.19;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276221;MM276221;CN(C)CC(C#N)=C(F)F;TXPWRJGJLYPICZ-UHFFFAOYSA-N;146.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276222;MM276222;C#CC(OC(C)C)=C(C)F;JFVRKTTZZLDSMM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276223;MM276223;CC(=O)CC(CF)=C(C)C;XMFGEQAMADSXES-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276224;MM276224;CCC(CC(=N)N)=C(C)C;LHTAVVYTVWXHGJ-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276225;MM276225;CC(C)=C(CN)CC(=N)N;ODJHEZRPMWUZOU-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276226;MM276226;CC(C)=C(CF)CC(=N)N;BPTDJRDXHYMPLD-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276227;MM276227;CC=NN(C=N)CCO;LOYYMECAJTUKPH-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276228;MM276228;CC(C)=C(CF)CC(=O)O;VRFPOEKXTGAVII-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276229;MM276229;C=C(F)CC(CN)=C(C)C;ZJPUBBDXEXGZQJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276230;MM276230;CCC(CC(=N)N)=C(C)F;XQASIDPFSXXXOE-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276231;MM276231;CC(F)=C(CN)CC(=N)N;MSBGJSUQPOBSGD-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276232;MM276232;CC(F)=C(CO)CC(=N)N;KHIJPJNDNHARNH-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276233;MM276233;CC(F)=C(CF)CC(=N)N;JDZZENNRVZMPTL-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276234;MM276234;CCC(CC(N)=O)=C(C)F;NHGFUTUUTVGSFF-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276235;MM276235;CC(F)=C(CN)CC(N)=O;RZPBHRXICHBPQC-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276236;MM276236;CC(F)=C(CO)CC(N)=O;HFZOVWXVOACVSM-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276237;MM276237;CC(F)=C(CF)CC(N)=O;NBRFEZPKMMWDLF-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276238;MM276238;C=C(C)CC(CF)=C(F)F;APKMRXMAWDKDAP-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276239;MM276239;CC(=O)CC(CO)=C(F)F;ZKOALGMOXMKJTK-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276240;MM276240;CCC(CC(N)=O)=C(F)F;JYJZJOMJFRRGGW-UHFFFAOYSA-N;149.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276241;MM276241;CCC(CC(=O)O)=C(F)F;IWUHWSKJZQUFCP-UHFFFAOYSA-N;150.12;2.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276242;MM276242;C=CCCC(C)(O)C(=O)O;PDAALCLWWBOYAD-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276243;MM276243;O=C(O)CC(CF)=C(F)F;XRUIWWRXWYXINX-UHFFFAOYSA-N;154.09;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276244;MM276244;COC(CC(C)=O)=C(C)C;SMXSBZDWGQDSPI-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276245;MM276245;COC(CC(=N)N)=C(C)C;SZFNFTQYDPTXMU-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276246;MM276246;COC(CC(C)=O)=C(C)F;WZKBSMYFCMXXKS-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276247;MM276247;COC(CC(=N)N)=C(C)F;AWWPTRBBAXUBGP-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276248;MM276248;CC(O)(C=O)CCC(=O)O;MHXBSNKMPOPXHI-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276249;MM276249;C=C(F)CC(OC)=C(C)F;IZURMNGIBRQTFB-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276250;MM276250;COC(CC(C)=O)=C(F)F;NTSFNAFOFPCWEO-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276251;MM276251;COC(CC(=N)N)=C(F)F;LSNBSQLZXYMYIB-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276252;MM276252;COC(CC(N)=O)=C(F)F;ZBYNGQZHWIHXMY-UHFFFAOYSA-N;151.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276253;MM276253;O=C(O)CCCC(=O)CO;GHJSBNDVJHOEEB-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276254;MM276254;CC(=N)NC(CN)=C(C)C;JQRATOMSTXJXBD-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276255;MM276255;CC(=N)NC(CF)=C(C)C;QEPIZRLWQUYGOS-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276256;MM276256;CC(=O)NC(CO)=C(C)C;HNTLCNWIZXWROB-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276257;MM276257;CC(=O)NC(CF)=C(C)C;XLTHRXPLERUOOK-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276258;MM276258;CC(C)=C(CF)NC(=N)N;UBHASEKIZIKUOU-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276259;MM276259;CCC(NC(N)=O)=C(C)C;QLRBUVBXKBYAOD-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276260;MM276260;CC(C)=C(CF)NC(N)=O;SZVWLOYRPKMGMS-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276261;MM276261;CC(=N)NC(CN)=C(C)F;WIROCJQFNQXMGC-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276262;MM276262;CC(F)=C(CO)NC(=N)N;VAWDIXUPBRAOAE-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276263;MM276263;CC(F)=C(CF)NC(=N)N;WQQFVGHPAIFTOA-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276264;MM276264;CCC(NC(C)=N)=C(F)F;YDMVSLIZDWFNON-UHFFFAOYSA-N;148.16;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276265;MM276265;CCC(NC(=N)N)=C(F)F;WEDBJUQGZUXLOW-UHFFFAOYSA-N;149.14;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276266;MM276266;N=C(N)NC(CF)=C(F)F;MQFRBHKXMSQKOF-UHFFFAOYSA-N;153.11;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276267;MM276267;COC(NC(C)=N)=C(C)C;QVYXCQWHHFWAET-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276268;MM276268;COC(NC(C)=O)=C(C)C;VNIRIXFYNWFKCY-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276269;MM276269;COC(NC(N)=O)=C(C)C;ITBHZQZZUYQTQJ-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276270;MM276270;COC(NC(C)=N)=C(C)F;RZEXIVJVLQQBAX-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276271;MM276271;COC(NC(C)=O)=C(C)F;YWTYMOQXKCLCHN-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276272;MM276272;COC(NC(=N)N)=C(C)F;VUEHXERSERSYIB-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276273;MM276273;COC(NC(C)=O)=C(F)F;FETMSYXOUNJCHX-UHFFFAOYSA-N;151.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276274;MM276274;C=C(C)OC(CO)=C(C)C;WWQRRCJOVWYJDD-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276275;MM276275;C=C(C)OC(CO)=C(C)F;RWWDNIWOKGZWDO-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276276;MM276276;C=C(C)OC(CO)=C(F)F;MKYVMFHLTSHBGO-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276277;MM276277;CC(=O)OC(CO)=C(F)F;OKLPDPUKLNGBNO-UHFFFAOYSA-N;152.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276278;MM276278;C=NN(CCO)C(C)=N;VCVIYSXHMNIGSG-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276279;MM276279;CC(C)=C(C=O)CC(N)=O;FRNOERUWGVSSBJ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276280;MM276280;CC(=O)CC(C#N)=C(C)F;ZODUHHHWFDILSB-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276281;MM276281;C=CC(CC(=N)N)=C(C)F;LCXFNDRVZSKPGS-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276282;MM276282;CC(F)=C(C#N)CC(=N)N;YEZHUXDTBHFRAC-UHFFFAOYSA-N;141.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276283;MM276283;CC(F)=C(C#N)CC(=O)O;ZUINNIKBVHMZAE-UHFFFAOYSA-N;143.12;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276284;MM276284;C=C(C)CC(C=O)=C(N)N;SOITUCOKJJFNPS-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276285;MM276285;C=NN(CCO)C(C)=O;JHFMHXMGMXGQBU-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276286;MM276286;COC1=NC(=NN)CN1;WBBFSSMXQZUYBP-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276287;MM276287;C=C(CC(O)CO)C(=O)O;YIADFIBQAFEBDO-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276288;MM276288;C=C(C)CC(C=O)=C(F)F;KEGNFEZJYCCHJV-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276289;MM276289;C=CC(CC(=N)N)=C(F)F;PEODBLMAXWZOPX-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276290;MM276290;N=C(N)CC(C=O)=C(F)F;YNYDXFLWPAGOSB-UHFFFAOYSA-N;148.11;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276291;MM276291;NC(=O)CC(C=O)=C(F)F;AIYZKTKAFPGUOM-UHFFFAOYSA-N;149.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276292;MM276292;C=CC(CC(=O)O)=C(F)F;XFUZKUCFPLEMKU-UHFFFAOYSA-N;148.11;1.8;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276293;MM276293;CC(=O)NC(C#N)=C(C)N;NEFRSVCNNRLESH-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276294;MM276294;CC(=O)NC(C#N)=C(C)F;RLWPHDDVURJIDN-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276295;MM276295;CC(F)=C(C=O)NC(N)=O;ONZOCDSKEQWTIY-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276296;MM276296;CC(=N)NC(C=O)=C(N)N;PQQNJUWFNBWKFF-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276297;MM276297;CC(=N)NC(C#N)=C(N)N;OMUOUYJTDLKZTM-UHFFFAOYSA-N;139.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276298;MM276298;CC(=O)NC(C=O)=C(N)N;JPSBWXVYHODJLP-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276299;MM276299;CC(=O)NC(C#N)=C(N)N;RONRGCBSHAXAFH-UHFFFAOYSA-N;140.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276300;MM276300;N=C(N)NC(C=O)=C(N)N;GLHRUNPTLCZUKE-UHFFFAOYSA-N;143.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276301;MM276301;NC(=O)NC(C=O)=C(N)N;OAAUMQHADLZYAQ-UHFFFAOYSA-N;144.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276302;MM276302;C=CC(NC(C)=N)=C(F)F;LBJQUYDVHNYQBF-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276303;MM276303;CC(=O)NC(C#N)=C(F)F;XOEXBNSQOUKCCO-UHFFFAOYSA-N;146.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276304;MM276304;C=CC(NC(=N)N)=C(F)F;YAWRNFFONGZMHW-UHFFFAOYSA-N;147.13;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276305;MM276305;CC(=O)OC(C=O)=C(C)C;BWKMXBURAARFMW-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276306;MM276306;C=C(C)OC(C#N)=C(C)N;BAQQCPZDRLCZRS-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276307;MM276307;C=C(C)OC(C#N)=C(C)F;DQHGTJDGVVDKRS-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276308;MM276308;CC(=O)OC(C#N)=C(C)F;WSSNYVHSSPHDNN-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276309;MM276309;C=C(C)OC(C=O)=C(N)N;CUCGULIBFLRZDE-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276310;MM276310;CC(=O)OC(C=O)=C(N)N;FCWQWVFXYMAMBE-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276311;MM276311;CC(=O)OC(C#N)=C(N)N;MQIFRZPJUVKTCW-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276312;MM276312;CC(=O)OC(C#N)=C(F)F;AZKFMZKVHXRXJW-UHFFFAOYSA-N;147.08;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276313;MM276313;C#CC(CC(=N)N)=C(C)C;FDKQTDMEYLGJTF-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276314;MM276314;C#CC(CC(N)=O)=C(C)C;FLJQYJGQIUJYTA-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276315;MM276315;C#CC(CC(C)=O)=C(C)F;CNORRXGOQNGGAX-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276316;MM276316;C#CC(CC(=N)N)=C(F)F;WLVKYUCLRPYLPR-UHFFFAOYSA-N;144.12;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276317;MM276317;C#CC(CC(N)=O)=C(F)F;HUBJZVXPVLLIOV-UHFFFAOYSA-N;145.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276318;MM276318;C#CC(NC(=N)N)=C(C)C;UZZRJRRBJYLCQQ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276319;MM276319;C#CC(NC(C)=N)=C(C)F;DHOGZIREUHXNSK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276320;MM276320;C#CC(NC(C)=O)=C(C)F;YEQIYIGIIQWTPT-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276321;MM276321;C#CC(NC(=N)N)=C(F)F;QOEFPAZCWGGRKZ-UHFFFAOYSA-N;145.11;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276322;MM276322;C#CC(OC(C)=O)=C(C)F;BZGBLAOPZPQFFI-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276323;MM276323;CC(C)=C(C=C(F)F)CN;BFFRPBFHIONMOL-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276324;MM276324;CC(F)=C(C=C(F)F)CN;JODVOFMFLZOLAS-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276325;MM276325;CCC(C=C(C)C)=C(F)F;STMITEWJDHCMQB-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276326;MM276326;CC(C)=CC(CN)=C(F)F;ZFFILAVMXMUHOS-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276327;MM276327;CC(F)=CC(CN)=C(F)F;XEKZPXVKAYIFSO-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276328;MM276328;COC(C=C(C)F)=C(C)F;YSPLIVQCAFOWCL-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276329;MM276329;CC(C)=C(C=O)C=C(F)F;DLHRYOSFBJIUOL-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276330;MM276330;CC(C)=CC(C=O)=C(C)N;PCPQCCNOWJTSQN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276331;MM276331;CC(N)=C(C=O)C=C(F)F;BEALXDVBJYSFKI-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276332;MM276332;CC(F)=CC(C#N)=C(N)N;LQWKVYDVTIEBMI-UHFFFAOYSA-N;141.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276333;MM276333;CC(C)=CC(C=O)=C(F)F;YDJDEEHMRNURCR-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276334;MM276334;C=CC(C=C(F)F)=C(F)F;RHXHQRHJGIZYCT-UHFFFAOYSA-N;152.09;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276335;MM276335;C#CC(C=C(F)F)=C(F)F;POYDMNYUYDNCST-UHFFFAOYSA-N;150.07;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276336;MM276336;CC#CC1(C#N)CC(C)C1;ZZIQWFANYCBFJP-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276337;MM276337;C=CC1(C#CC)CC(N)C1;TWVGKVZKLPOMGQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276338;MM276338;NC(=O)C=C(N)C#CCF;BVHYEDYBJFIPIJ-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276339;MM276339;C=CC1(C#CC)CC(F)C1;QEZFILGHQILOEV-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276340;MM276340;CC#CC1(C=O)CC(F)C1;YBORAPKZCFKEAP-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276341;MM276341;C#CC1(C#CC)CC(C)C1;PMHWXIAESMIQTB-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276342;MM276342;C#CC1(C#CC)CC(N)C1;NKNNAOHPZWJCKL-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276343;MM276343;C=CC(=O)NCCC(C)O;YXMYPOYILIWOID-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276344;MM276344;C#CC1(C#CC)CC(F)C1;MKTASJNKUSOCNW-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276345;MM276345;C#CC1(C#CC)CC(C)O1;OSRPGIPNQCKFNO-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276346;MM276346;CC#CC1(CO)CC(=O)N1;COCFOPURMULFEP-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276347;MM276347;C=CC1(C#CC)CC(=O)C1;IMGFFCKISCHRNA-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276348;MM276348;CC#CC1(C#N)CC(=O)C1;YTGHEAKMXWZMIT-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276349;MM276349;CC#CC1(C=O)CC(=O)N1;VRICWOAYSRTHQD-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276350;MM276350;CC#CC1(C#N)CC(=O)N1;OWPUXLJOEVZDKW-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276351;MM276351;CC#CC1(C#N)CC(=O)O1;TZECTFSKUHPOCZ-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276352;MM276352;C#CC1(C#CC)CC(=O)C1;CHQBKOCUFWAIHF-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276353;MM276353;C#CC1(C#CC)CC(=O)N1;GYIAZUXOLDMMGG-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276354;MM276354;C#CC1(C#CC)CC(=O)O1;VQMBZYXRMXCFMB-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276355;MM276355;CC(C)CC1(CN)CC1C;FOOLDKSBDWRQFG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276356;MM276356;CC(N)CC1(CN)CC1C;XIQBBQIDNYBDSM-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276357;MM276357;CC(N)CC1(CO)CC1C;TWKRVUCSTQRCAZ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276358;MM276358;CC(CC=O)=NNCCO;FNFQWUZTZPBCCW-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276359;MM276359;CCC1(CC(C)F)CC1C;IGTGYJDBDZKDIH-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276360;MM276360;CCC1(CC(F)F)CC1C;POKMOOLWKXBMHD-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276361;MM276361;CNC1(CC(C)N)CC1C;PZOPMABUKBRQNC-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276362;MM276362;CNC1(CC(C)F)CC1O;UFGBDAZBCBGLSD-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276363;MM276363;CCC1(NC(C)C)CC1C;RCWWFFRAWFNLOY-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276364;MM276364;CC(C)NC1(CO)CC1C;ADJQMHYDINTQKP-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276365;MM276365;CCC1(NC(C)C)CC1N;GSYYLMRUUICKSY-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276366;MM276366;CCC1(OC(C)C)CC1C;ISZJVEFRALOWED-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276367;MM276367;CCC1(CN(C)C)CC1C;SIRCZUQPJZPGIP-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276368;MM276368;CCC1(CN(C)C)CC1N;GXEZWOXQFMSIDP-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276369;MM276369;CNC1(CN(C)C)CC1C;SLGSYMARBKVSPE-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276370;MM276370;CC(C)CC1(CN)NC1C;BQYMYVMMNNBUJF-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276371;MM276371;CCC1(CC(C)N)NC1C;SXXWCJRUVLJWGJ-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276372;MM276372;CC(N)CC1(CN)NC1C;WASJPAQWNNFUBD-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276373;MM276373;CCC1(CN(C)C)NC1C;FGVIPMYMABTTMM-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276374;MM276374;CC(C)CC1(CN)OC1C;XVHFZZPUJBXGGZ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276375;MM276375;CCC1(CC(C)F)OC1C;HOSPUHVDOQRNDL-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276376;MM276376;CCC1(CC(F)F)OC1C;LGZLNAXZNQNDBI-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276377;MM276377;CC(C)CC1(CN)CN1C;PDLOBFRDJRYYLU-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276378;MM276378;CCC1(CN(C)C)CN1C;OCJNTPMIVXIDHR-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276379;MM276379;CC(C)CC1(C#N)CC1C;NZAIGORBPRQHTR-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276380;MM276380;C=CC1(CC(C)N)CC1C;YAENKHSYMJPQCD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276381;MM276381;C=CN(NC)C(=N)C(N)=O;VEMJKGWERWPOKK-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276382;MM276382;C=CC1(CC(C)N)CC1N;OHKVMDUOFPWIFX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276383;MM276383;C=CC1(CC(C)O)CC1N;LRDLINCKAHVWTH-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276384;MM276384;C=CC1(NC(C)C)CC1C;VIAIELCGUFTNBW-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276385;MM276385;CC(C)NC1(C=O)CC1C;UUSODUOCCWJLJJ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276386;MM276386;CC(C)NC1(C#N)CC1C;LRYJOTOUSISHCQ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276387;MM276387;C=CC1(OC(C)C)CC1C;JYTQKGWESSJXOM-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276388;MM276388;CC(C)OC1(C#N)CC1C;OVJWVNOHZAATCV-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276389;MM276389;C=CC1(CN(C)C)CC1N;SOXAILRJHXCVCM-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276390;MM276390;CC(C)CC1(C#N)NC1C;HHEGAMQDNAVLPS-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276391;MM276391;C=CC1(CC(C)N)NC1C;RENWCSMXPFVGDK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276392;MM276392;C=CC1(CC(C)C)OC1C;SFHBUNUQBYLSGN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276393;MM276393;C=CC1(CC(C)F)OC1C;UJFGPCKCTLMCRF-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276394;MM276394;C=CC1(CC(C)N)CN1C;URPDOQSVSINTGK-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276395;MM276395;C=CC1(CN(C)C)CN1C;UZJTWMFJYQFRGO-UHFFFAOYSA-N;140.23;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276396;MM276396;C#CC1(CC(C)N)CC1C;FANFKDXGOPZRSZ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276397;MM276397;C#CC(NC)C(F)=C(F)F;FVKOUMHVIXISJY-UHFFFAOYSA-N;149.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276398;MM276398;C#CC1(CC(C)F)CC1C;HINMONLWVCMJCN-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276399;MM276399;C#CC1(CC(C)C)CC1N;XXNQWSRGDIIVEX-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276400;MM276400;C#CC1(CC(C)N)CC1N;CGCIKTIRDAWURL-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276401;MM276401;C#CC1(CC(C)O)CC1N;JXRPDRYGDRYKKB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276402;MM276402;C#CC1(NC(C)C)CC1C;XUJTVIRLCLHQAC-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276403;MM276403;C#CC1(NC(C)C)CC1N;WOZNNMYPWJKYGB-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276404;MM276404;C#CC1(NC(C)C)CC1O;FSMMHGFJRZVOJM-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276405;MM276405;C#CC1(OC(C)C)CC1C;NGCWAAZKXBUEOK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276406;MM276406;C#CC1(CN(C)C)CC1C;CUDFVPSUSLRFGN-UHFFFAOYSA-N;137.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276407;MM276407;C#CC1(CN(C)C)CC1N;VPWUMCJDIKTAEB-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276408;MM276408;C#CC1(CC(C)N)NC1C;WVKYANRVZYOAJF-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276409;MM276409;C#CC1(CC(C)C)OC1C;MXYPCOJEGDIFNZ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276410;MM276410;C#CC1(CC(C)N)OC1C;VQIHPKIVCVILEV-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276411;MM276411;C#CC1(CC(C)N)CN1C;OKUXQSDXRSQBBQ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276412;MM276412;C=C(C)CC1(CC)CC1C;CRQXPBVHBQJSSH-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276413;MM276413;CCC1(CC(C)=O)CC1C;WYYUDZQSASVEHQ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276414;MM276414;CCC1(CC(=N)N)CC1C;NYNJZDXOSBHSEZ-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276415;MM276415;CN(CC=O)N(C)C(N)=O;ROBOMRIQWKGWRT-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276416;MM276416;CCC1(CC(=O)O)CC1C;HOSUBUIBDKAGOT-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276417;MM276417;C=C(F)CC1(CC)CC1C;WMAIDSNMWWFRBW-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276418;MM276418;C=C(C)CC1(NC)CC1C;SBSNPMJAITZLGW-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276419;MM276419;CNC1(CC(C)=O)CC1C;WFYPCIDNKRBMDD-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276420;MM276420;CNC1(CC(=N)N)CC1C;UEPQYOLMNXDYLV-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276421;MM276421;CCC1(NC(C)=N)CC1C;AMXQJYCLORVOEQ-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276422;MM276422;CCC1(NC(=N)N)CC1C;SVUOOYKXIKCHGV-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276423;MM276423;CC1CC1(CN)NC(=N)N;JCPFPSFFRQNMAG-UHFFFAOYSA-N;142.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276424;MM276424;CCC1(NC(N)=O)CC1C;XCZSMYLDCHVAMH-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276425;MM276425;C=C(C)OC1(CC)CC1C;DMZOCXMWRBSHBP-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276426;MM276426;CCC1(OC(=N)N)CC1C;YVKAGNUUWCRESD-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276427;MM276427;CCC1(CC(=N)N)NC1C;DXNCFWLCWWGRHD-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276428;MM276428;CC1OC1(CN)CC(=N)N;GJVITUSOVJRYJU-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276429;MM276429;C=CC1(CC(=C)F)CC1C;KVFJHJDLISIVFR-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276430;MM276430;C=CC1(CC(=C)C)CC1N;ZHHKNMAGDSBXQV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276431;MM276431;O=C(O)CC(=CF)CCO;MQNGVIKNYLJLMO-UHFFFAOYSA-N;148.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276432;MM276432;CC(=N)NC1(C#N)CC1C;WDKOKMBEZVQLCH-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276433;MM276433;CC1CC1(C#N)NC(=N)N;NHHWDCGPCZLAGE-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276434;MM276434;C=CC1(NC(N)=O)CC1C;QRPDODWXEIYATC-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276435;MM276435;C=CC1(OC(C)=O)CC1C;XGOLNDDZZYYQPZ-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276436;MM276436;C=CC1(OC(=N)N)CC1C;GFXXOBAHHGNEHK-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276437;MM276437;C=CC1(CC(=N)N)OC1C;YKYGQYAQJIHFLJ-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276438;MM276438;C#CC1(CC(=C)C)CC1C;SWCMEFWGARMCSC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276439;MM276439;C#CC1(CC(=O)O)CC1C;FLAADHDCQVKFQS-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276440;MM276440;C#CC1(CC(C)=O)CC1O;QYDPTTASODTPTF-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276441;MM276441;C#CC1(CC(=N)N)CC1O;ZJKHOQGWOCYUMJ-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276442;MM276442;C#CC1(NC(C)=N)CC1C;ZNGMOOUFKUNQFG-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276443;MM276443;C#CC1(NC(=N)N)CC1C;KHERABGDBJWTQV-UHFFFAOYSA-N;137.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276444;MM276444;C#CC1(NC(N)=O)CC1C;IKZNQHBJTQLXDY-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276445;MM276445;C#CC1(NC(=N)N)CC1N;NVCYYQARGXPXSR-UHFFFAOYSA-N;138.17;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276446;MM276446;C#CC1(NC(C)=N)CC1O;ULWJQGZVAZTJIS-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276447;MM276447;C#CC1(OC(=N)N)CC1C;DEVNZTQZJAVWLA-UHFFFAOYSA-N;138.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276448;MM276448;C#CC1(CC(C)=O)OC1C;YXSLMLGREREJNM-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276449;MM276449;C#CC1(CC(N)=O)OC1C;GGGGLQMGAUIRCI-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276450;MM276450;CC=CC(=CCO)C(N)=O;RPOFPRISBJFXBA-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276451;MM276451;C#CC1(CC(=C)F)CN1C;YRRVQEXRMNKWPD-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276452;MM276452;CCC1(C(C)C)CC(C)C1;KQXNFMWQSXFXFQ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276453;MM276453;CC1CC(CN)(C(C)C)C1;YAZSOLBUNSRQHF-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276454;MM276454;CC=CC(=CC#N)C(N)=O;DYOKIHJVBNTNHG-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276455;MM276455;CCC1(C(C)C)CC(N)C1;ZFXMNONDKZVDMV-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276456;MM276456;C=CC1(CNC(N)=O)CN1;KWLHCUIDCNMHHA-UHFFFAOYSA-N;141.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276457;MM276457;CCC1(C(C)C)CC(F)C1;RBAWUUIRTOXACK-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276458;MM276458;CC(C)C1(CO)CC(F)C1;SHOQECXEVHMTFC-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276459;MM276459;CNC1(C(C)C)CC(C)C1;FIQWOCYSNYNJFN-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276460;MM276460;CN(C)C1(CN)CC(N)C1;RLRPEOMVORQHNX-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276461;MM276461;CCC1(C(C)C)CN(C)C1;ZPCMHJLPVHXSDN-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276462;MM276462;C=CC1(C(C)C)CC(C)C1;CCXHIANSUJUSAK-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276463;MM276463;CC1CC(C#N)(C(C)C)C1;MFCMZWXQGHVTPY-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276464;MM276464;C=CC1(C(C)C)CC(N)C1;ZVOMBIOHLPIWAS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276465;MM276465;C=CC1(COC(N)=O)CN1;SWMAHKWMDLMVOD-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276466;MM276466;CC(C)C1(C#N)CC(F)C1;JDDCXHCUHFQAFE-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276467;MM276467;CC1CC(C#N)(C(C)C)O1;TVEYBPXIKWNZOZ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276468;MM276468;CC1CC(C#N)(N(C)C)C1;BIJAIARDKRNTDT-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276469;MM276469;C=CC1(N(C)C)CC(O)C1;AOMKGHVXLBOMDO-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276470;MM276470;C=CC1(C(C)C)CN(C)C1;UHIXJBMOEGKMQE-UHFFFAOYSA-N;139.24;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276471;MM276471;CC(C)C1(C#N)CN(C)C1;XWBHIBJQZHPKEB-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276472;MM276472;C#CC1(C(C)C)CC(C)C1;JJNOZEQQNSKUIX-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276473;MM276473;C#CC1(C(C)N)CC(C)C1;OBKHVOMTMHRQKR-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276474;MM276474;C#CC1(C(C)C)CC(N)C1;WGRUFEULNAOSBJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276475;MM276475;C#CC1(C(C)N)CC(O)C1;MOKYXFHIWNFQRJ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276476;MM276476;C#CC1(C(C)C)CC(F)C1;ILWCUOLCOXCNPG-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276477;MM276477;C#CC1(C(C)C)CC(C)N1;XYOVQVWWJZEEIS-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276478;MM276478;C#CC1(C(C)C)CC(C)O1;IWKZOVQIECPBDD-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276479;MM276479;C#CC1(N(C)C)CC(C)C1;LQNAUIPZMYWCRB-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276480;MM276480;C#CC1(C(C)N)CN(C)C1;QPHRAGWZMWRARM-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276481;MM276481;C=C(C)C1(CC)CC(C)C1;SLCNTYGYQMRIHW-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276482;MM276482;C=C(C)C1(CN)CC(C)C1;AQYUSJHSDNLDGP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276483;MM276483;C=C(C)C1(CN)CC(N)C1;BDTPWORUFWNRJR-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276484;MM276484;N=C(N)C1(CN)CC(N)C1;MUONGJCUYXGXPH-UHFFFAOYSA-N;142.21;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276485;MM276485;CNC(=O)C(N)=C(C)C=O;DFBUZEBLXWRAES-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276486;MM276486;C=C(C)C1(CN)CC(O)C1;AQQTZVCKYGMTSJ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276487;MM276487;C=C(C)C1(CC)CC(F)C1;HYIGPVXICJDNIJ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276488;MM276488;C=C(C)C1(CN)CC(F)C1;LFSLEYSHKFANPY-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276489;MM276489;C=C(C)C1(NC)CC(N)C1;OOYPTOSYRMAWTP-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276490;MM276490;CNC1(C(=N)N)CC(N)C1;VLYMWFDROIPLPT-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276491;MM276491;C=C(C)C1(NC)CC(F)C1;OTYLGTXQGOOWPO-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276492;MM276492;C=C(C)C1(CO)CC(C)O1;JPCCCUBIVLNCIW-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276493;MM276493;C=C(C)C1(CN)CN(C)C1;GMWSSHGCSXVJKH-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276494;MM276494;C=CC1(C(=C)C)CC(C)C1;LQFXIQGGNRGDCI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276495;MM276495;C=C(C)C1(C=O)CC(C)C1;WYDDPEBUYHMMFD-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276496;MM276496;C=C(C)C1(C#N)CC(C)C1;CWHXHAZSALUGRB-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276497;MM276497;CC1CC(C#N)(C(=N)N)C1;LQYZQYAJEVUOQA-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276498;MM276498;C=CC1(C(=C)C)CC(N)C1;ZLOMJSZKHYCKIE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276499;MM276499;C#CCNC(=O)C=CC=C;CSHCGZAFKNRJRC-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276500;MM276500;C=C(C)C1(C=O)CC(O)C1;LFAORDBIPHNBGV-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276501;MM276501;C=CC1(C(=C)C)CC(F)C1;PTVMAZUACHMKEK-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276502;MM276502;C=C(C)C1(C#N)CC(F)C1;PYDSSPHRMYOGMV-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276503;MM276503;C=CC1(C(=N)N)CC(F)C1;YOGBGSGGLPEASZ-UHFFFAOYSA-N;142.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276504;MM276504;C=CC1(C(=C)C)CC(C)N1;OVROULDRUZQOHT-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276505;MM276505;C=C(C)C1(C#N)CC(C)N1;NQFBANKBOGORDX-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276506;MM276506;C=CC1(C(=C)C)CC(C)O1;XHBKBWUURCKIMT-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276507;MM276507;C=C(C)C1(C#N)CC(C)O1;QSUYJSCBPBWCIR-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276508;MM276508;C=CC1(C(=C)C)CN(C)C1;QHPNBCOVKZNRCP-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276509;MM276509;C=C(C)C1(C#N)CN(C)C1;JZYGOUVJXZPIDF-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276510;MM276510;C#CC1(C(=C)C)CC(C)C1;KGLXPBZVQCNFSJ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276511;MM276511;C#CC1(C(=N)N)CC(C)C1;AIYARKYGMJBUCQ-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276512;MM276512;C#CC1(C(=C)C)CC(N)C1;OQCOGPSSXMEMKN-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276513;MM276513;C=NN(CCO)C(C)C=O;YLVJQHVXMNQMDY-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276514;MM276514;C#CC1(C(=N)N)CC(O)C1;HKSIRCCVGYGZEL-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276515;MM276515;C#CC1(C(=C)C)CC(F)C1;LIFQPVOJDYFXPR-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276516;MM276516;C#CC1(C(=N)N)CC(F)C1;RIERGPKEBADNHP-UHFFFAOYSA-N;140.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276517;MM276517;C#CC1(C(=C)C)CC(C)N1;QHGKQSBXINGSSO-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276518;MM276518;C#CC1(C(=C)C)CC(C)O1;INMJBTKNUSOFKN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276519;MM276519;C#CC1(C(=N)N)CN(C)C1;VKEAAQFDBLXKHH-UHFFFAOYSA-N;137.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276520;MM276520;CCC1(C(C)C)CC(=O)C1;ZGCGRRKAWKSOST-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276521;MM276521;CC(C)C1(CO)CC(=O)C1;BDJJUFVVJYQUHW-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276522;MM276522;CC(C)C1(CN)CC(=O)N1;GUXVBVMHMFZLRN-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276523;MM276523;CC(C)C1(CN)CC(=O)O1;BBVNKXOQMRLMDZ-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276524;MM276524;C=CC1(C(C)C)CC(=O)C1;BUOWDJGLKQSVLX-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276525;MM276525;CC(C)C1(C=O)CC(=O)C1;ZLOUYWQUDCJIEQ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276526;MM276526;CC(C)C1(C#N)CC(=O)C1;BWMJQPLZRIWBDL-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276527;MM276527;C=CC1(C(C)C)CC(=O)N1;HYBHOUKNHHDNBK-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276528;MM276528;CC(C)C1(C#N)CC(=O)N1;GNCULLQDBXSZEN-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276529;MM276529;C=CC1(C(C)C)CC(=O)O1;AJQYJBGOWUXQRR-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276530;MM276530;CC(C)C1(C#N)CC(=O)O1;KISKCGVHAVDFIE-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276531;MM276531;C#CC1(C(C)C)CC(=O)C1;VWCVJOBKLVKDEJ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276532;MM276532;C#CC1(C(C)C)CC(=O)N1;OIDVSUHCYXZREB-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276533;MM276533;C#CC1(C(C)C)CC(=O)O1;ICCOTJQNEPXVIM-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276534;MM276534;C=C(C)C1(CC)CC(=O)C1;OFWONIMTPKDLRY-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276535;MM276535;C=C(C)C1(CO)CC(=O)C1;YEGMRXFUJSFIQT-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276536;MM276536;CCC1(C(=N)N)CC(=O)C1;YYCOGIRNDCHVKR-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276537;MM276537;C=C(C)C1(NC)CC(=O)C1;FCFSIABWBXGZHM-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276538;MM276538;C=C(C)C1(CC)CC(=O)N1;WMQCKKMVBOAJRL-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276539;MM276539;C=C(C)C1(CN)CC(=O)N1;DTXWIAVIJPNWBU-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276540;MM276540;C=CC1(C(=C)C)CC(=O)C1;QQOSKYFKSTWXHA-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276541;MM276541;C=C(C)C1(C=O)CC(=O)C1;JWHCQJFJXJXISV-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276542;MM276542;C=C(C)C1(C#N)CC(=O)C1;JHKFYWPUPJVICD-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276543;MM276543;N#CC1(C(=N)N)CC(=O)C1;FBLGLIDROHUCSC-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276544;MM276544;C=CC1(C(=C)C)CC(=O)N1;XPAYLJYOOBLXJB-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276545;MM276545;C=C(C)C1(C#N)CC(=O)N1;SXPJCKKXRWCRSM-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276546;MM276546;C=CC1(C(=C)C)CC(=O)O1;XKNDCQBXJYRGML-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276547;MM276547;C=C(C)C1(C=O)CC(=O)O1;WYGKVBQXHPYVLU-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276548;MM276548;C=C(C)C1(C#N)CC(=O)O1;JJSZXUCJIQLIRL-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276549;MM276549;C#CC1(C(=C)C)CC(=O)C1;ITYFOZBEUYEOPE-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276550;MM276550;C#CC1(C(=N)N)CC(=O)C1;SHSRNGCOBZIULY-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276551;MM276551;C#CC1(C(=C)C)CC(=O)N1;PYGGBEUSNSLIHV-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276552;MM276552;C#CC1(C(=C)C)CC(=O)O1;UQWUUPPGKXGOHD-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276553;MM276553;CC(C)CC1(C(C)C)CC1;DRKYXKXOXAGPGQ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276554;MM276554;C=NN(CCO)C(=N)CF;WGYSRDRIOCOMHR-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276555;MM276555;C=C(C)C1(CC(C)C)CC1;QFFRZFDLJOWOJB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276556;MM276556;C=C(C)C1(CC(C)N)CC1;ZUPVIPOCQJZVMV-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276557;MM276557;C=C(C)C1(NC(C)=N)CC1;WDHZDTFWENLEAF-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276558;MM276558;C=C(C)C1(NC(=N)N)CC1;KYSXTVXQGAISJD-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276559;MM276559;C=C(C)OC1(C(=C)C)CC1;RWUFVLJXJCWOCV-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276560;MM276560;CCCC1CC1C(C)(C)C;QMSHHSYWSHGCBA-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276561;MM276561;CCCC1CC1C(C)(C)N;AQWSEOYHDWBQHU-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_Nd";;;;;;;2.83;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276562;MM276562;C=CC(=N)N(CCO)N=C;BRAGTGFLIAMMAE-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276563;MM276563;CCCC1CC1C(C)(C)F;ZHMPMVBNCZYIQW-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276564;MM276564;CC(C)(F)C1CC1CCN;NDQITAHADXVSCT-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276565;MM276565;CCCC1CC1C(F)(F)F;BIXMUWNMQOKTLX-UHFFFAOYSA-N;152.16;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276566;MM276566;CNCC1CC1C(C)(C)C;YTLWYHJQWOARJV-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276567;MM276567;CNCC1CC1C(C)(C)N;ZMOVVAYEJLYEPA-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276568;MM276568;CCNC1CC1C(C)(C)C;DPMFMRSDKZRQOZ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276569;MM276569;CCNC1CC1C(C)(C)N;KKCLYMRNILMYJW-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276570;MM276570;CC(C)(O)C1NC1CCN;WLLXBPZRWMKACB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276571;MM276571;CCCC1NC1C(C)(F)F;IVBVBQRFDHTZAO-UHFFFAOYSA-N;149.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276572;MM276572;CCCC1OC1C(C)(C)C;JYMLYNVKBHXMIH-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276573;MM276573;CCCC1OC1C(C)(C)N;JASMWKBQZRIAFZ-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276574;MM276574;CCCN1CC1C(C)(C)N;FYAXGGGVKMWWMI-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276575;MM276575;CC(C)(N)C1CN1CCN;QOGDFRYXJQVJCW-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276576;MM276576;CC(C)(O)C1CN1CCN;UPFMFODRVUNULV-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276577;MM276577;CNCC1CN1C(C)(C)C;RSLZBOWAPLFDIR-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276578;MM276578;CC(C)(C)C1CC1CC#N;NMTLFLVFYYUPAF-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276579;MM276579;C=NN(CCO)C(=N)C=O;PJGHRNKTITWUSD-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276580;MM276580;CNC(=O)C(=CC=O)NC;UGHLLAROPQHFRX-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276581;MM276581;CC(C)(F)C1CC1CC#N;JCVLBRPKRADRTN-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276582;MM276582;C=CCC1CC1C(C)(F)F;KMXDBDWIGZWFMD-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276583;MM276583;CC(F)(F)C1CC1CC#N;IRNPALSORSQBTB-UHFFFAOYSA-N;145.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276584;MM276584;C=COC1CC1C(C)(C)C;CQZJDNVIHKXASA-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276585;MM276585;C=COC1CC1C(C)(F)F;CZROIAHOLYKIFZ-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276586;MM276586;C=NOC1CC1C(C)(C)C;HGVKFTVVZOQZHE-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276587;MM276587;C=NOC1CC1C(C)(F)F;QUAZBVOYNQWDQF-UHFFFAOYSA-N;149.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276588;MM276588;CCC=NN(C=O)CCO;QBIJRBOHUJOXEG-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276589;MM276589;CC(C)(F)C1NC1CC#N;JVFOOTZJYSJECF-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276590;MM276590;C=CCC1OC1C(C)(C)O;DLFKBTHMWBWJJA-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276591;MM276591;CC(C)(O)C1OC1CC#N;UKGFJXWMXLOFHS-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276592;MM276592;CC(C)(F)C1OC1CC=O;HUICOOLUWQWEGD-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276593;MM276593;CC(C)(F)C1OC1CC#N;ONTWRNOHLXDJEP-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276594;MM276594;C=CCC1OC1C(C)(F)F;CCVAVEBIEHJSFV-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276595;MM276595;N#CCC1OC1C(F)(F)F;OOXPWQKWNDZXQG-UHFFFAOYSA-N;151.09;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276596;MM276596;C=NN(C=CC=O)CCO;YBHKONAGPWPNDE-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276597;MM276597;C=NN(C=NC=N)CCO;PCLHAQCVOUEITN-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276598;MM276598;CC(F)(F)C1CN1CC#N;NTMIKFIVYVNCKY-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276599;MM276599;C#CCC1CC1C(C)(F)F;HUXACGJQCIPONO-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276600;MM276600;C#CCC1NC1C(C)(C)F;DRASYHDTRKSUJT-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276601;MM276601;C#CCC1OC1C(C)(C)N;KMHSXQDBGOEBSJ-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276602;MM276602;C#CCC1OC1C(C)(C)O;OLAXDLSKLIIXSX-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276603;MM276603;C#CCC1OC1C(C)(C)F;KFQFAPGYUYDZDK-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276604;MM276604;C#CCC1OC1C(F)(F)F;GWUYKIYOBVIHHI-UHFFFAOYSA-N;150.1;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276605;MM276605;C#CCN1CC1C(C)(C)C;BIDFWANEUXBMDR-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276606;MM276606;C=CC=NN(C=O)CCO;BSXPATFPHYUGFY-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276607;MM276607;C#CCN1CC1C(C)(C)F;RLHIQHRVAPAZTE-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276608;MM276608;C#CCN1CC1C(C)(F)F;NVJWJPDGJOLOCW-UHFFFAOYSA-N;145.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276609;MM276609;CC=CC1CC1C(C)(C)N;ATBRDSLXEBDPSK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276610;MM276610;C#CC=NN(C=N)CCO;VOTBESQJRNELCA-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276611;MM276611;CC=CC1CC1C(F)(F)F;IQULTFCXQZGRPS-UHFFFAOYSA-N;150.14;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276612;MM276612;CC(C)(C)C1CC1C=NN;CPWZBERZBPTCDG-UHFFFAOYSA-N;140.23;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276613;MM276613;CC=CC1OC1C(C)(F)F;VARGRXMFNPHXRD-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276614;MM276614;CC#CC1CC1C(C)(C)C;NYGNJFHABCDQBE-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276615;MM276615;CC#CC1CC1C(C)(C)N;SRFYCPMVVCUEOB-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276616;MM276616;C#CC=NN(C=O)CCO;MNFITAQMMQRHJD-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276617;MM276617;CC#CC1CC1C(C)(C)F;JGWJMDHBNHTGBP-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276618;MM276618;CC#CC1CC1C(F)(F)F;KXNJJWVYWCKOOD-UHFFFAOYSA-N;148.13;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276619;MM276619;CC#CC1NC1C(C)(C)N;OPUCWIDSFZJGNG-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276620;MM276620;CC#CC1NC1C(C)(C)F;BMWSIWSMEHZPEK-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276621;MM276621;CC#CC1NC1C(C)(F)F;NAXQGSFHQOYYJD-UHFFFAOYSA-N;145.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276622;MM276622;CC#CC1NC1C(F)(F)F;UHJZKXPBHSULDS-UHFFFAOYSA-N;149.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276623;MM276623;CC#CC1OC1C(C)(C)N;UTUUSHPDEVVNNY-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276624;MM276624;CC#CC1CN1C(C)(C)C;IINBMRCYKXFSSA-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276625;MM276625;CC(CC1CC1)C(C)(C)C;IORFWIFTCVSCBI-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276626;MM276626;CC(CC1CN1)C(C)(C)N;GVQHYLZOROPWQH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276627;MM276627;CC(CN1CC1)C(C)(C)N;AVCRTCWXTNKVFX-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276628;MM276628;C=C(CC1CC1)C(C)(C)C;KYLPPIDGEMUPSS-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276629;MM276629;C=C(CC1CC1)C(C)(C)N;QPTJHIQVPLHOMQ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276630;MM276630;CC(=CC1CO1)C(C)(C)N;YXTCMXVUFZWTHX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276631;MM276631;CC(=NN1CC1)C(C)(C)C;YBYILYVETHBYAV-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276632;MM276632;CC#CC(C)(C)C1CC1C;GVNIJCQKDGPJQF-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276633;MM276633;CC#CC(C)(C)C1CC1N;BDLDBHUQCLPFKL-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276634;MM276634;CNN=CC(=CCO)OC;PCTFOZPTNBVHAQ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276635;MM276635;C#CCC(C)(C)CC1CC1;UTHRFYPHEJDDIA-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276636;MM276636;CC#CC(C)(O)CC1CC1;XCKFPOAHCCAPRZ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276637;MM276637;CC#CC(C)(C)NC1CC1;FIKLKDINBDCAOQ-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276638;MM276638;CC#CC(C)(C)OC1CC1;ZLJGFYQQGKCULG-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276639;MM276639;CC#CC(C)(N)CC1CN1;WOMHNJNJOKMQAB-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276640;MM276640;CC#CC(C)(C)CC1CO1;DLBOYHKUNVNPKI-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276641;MM276641;CC#CC(C)(N)CN1CC1;KGHDNNGPAADDLB-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276642;MM276642;CC1CC1C(C)(C)C(C)C;LUVXTISEWKZGMM-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276643;MM276643;CC(C)C(C)(C)C1CC1N;BKRHZNVNSXTPNK-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276644;MM276644;CCC(=N)N(NC)C(N)=O;MVSAQCSPDQCXCH-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276645;MM276645;CC(C)C(C)(C)C1CC1F;XEASXMAWOOWJIY-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276646;MM276646;C=C(C)C(C)(C)C1CC1C;WSZAMCICTPDTIS-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276647;MM276647;C=C(C)C(C)(C)C1CC1N;LZKBNCPJXGKRMZ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276648;MM276648;CN=C(C)N(NC)C(N)=O;DOSJYEHRFKVOEV-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276649;MM276649;C=C(C)C(C)(C)C1CC1F;FCSADYQYTNSXKO-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276650;MM276650;CC(C)C(C)(C)CC1CC1;LDVBGIFIANSXNF-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276651;MM276651;CC(N)C(C)(C)CC1CC1;CZQDSAJMPIIEGK-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276652;MM276652;CC(C)C(C)(N)CC1CC1;BGXBLQCCTQPMBT-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276653;MM276653;CC(N)C(C)(N)CC1CC1;GWOYGGVQOHMLCH-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276654;MM276654;CC(N)C(C)(C)NC1CC1;MCBDLQQRVPCPLA-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276655;MM276655;CC(C)C(C)(C)OC1CC1;IGEBXLVREBUMNB-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276656;MM276656;CC(C)C(C)(N)CC1CN1;FOUNXKAIMZTTCU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276657;MM276657;CN(C)C(C)(C)CC1CN1;IUQNQUUYYAGXHT-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276658;MM276658;CC(C)C(C)(C)CC1CO1;STVRZOZHHCGWEL-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276659;MM276659;C=C(C)C(C)(C)CC1CC1;UFILXILZJFJEGZ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276660;MM276660;CC(C)(CC1CC1)C(=N)N;GNMAQWFOVSNHBE-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276661;MM276661;CC(N)(CC1CC1)C(=N)N;LOGCGIWQSOKIHE-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276662;MM276662;C#CC(C)C(=NN)C(N)=O;BTOICKHUGXDPBB-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276663;MM276663;C=C(C)C(C)(C)OC1CC1;BNFPQUVSSDKFHK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276664;MM276664;CC(C)(CC1CN1)C(=N)N;YBJQFIJIMNPTRS-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276665;MM276665;C=C(C)C(C)(N)CC1CO1;FWDPPJAQVMLNFG-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276666;MM276666;C=C(C)C(C)(F)CN1CC1;KKAWWGLGBPEQHU-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276667;MM276667;C#CCN1C=NC(=NN)C1;LQBMIVLXFOPGAX-UHFFFAOYSA-N;136.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276668;MM276668;C=C(C1CC1C)C(C)(C)C;UFRRFKCWFJFTNX-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276669;MM276669;C=C(C1CC1C)C(C)(C)N;KUNRAKFWBMRTEF-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276670;MM276670;C#CCc1cc(NC)n[nH]1;BAOWFTSVGFPFSP-UHFFFAOYSA-N;135.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276671;MM276671;C=C(C1CN1C)C(C)(C)C;MKKABNDZPDQSKT-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276672;MM276672;CCC1C(C)C1C(C)(C)C;ANELSXGWSIASMI-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276673;MM276673;CC1C(CN)C1C(C)(C)C;GKBLTRDRDQDYIO-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276674;MM276674;CCC1C(C)C1C(C)(C)N;DAHDETIDTJOJQE-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276675;MM276675;CCC1C(C(C)(C)F)N1C;QZSJUXLVANTIBZ-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276676;MM276676;CCN1C(C)C1C(C)(C)F;KQTHOXASMQHKAN-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276677;MM276677;C=CC1C(C)C1C(C)(C)C;ASEXEPXEXXCMAX-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276678;MM276678;C=CC1C(C(C)(C)C)N1C;FKLSKTYKPZLKOK-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276679;MM276679;C=CC1C(C(C)(C)N)N1C;OHIPBWWLYAPOKS-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276680;MM276680;C=CC1C(C(C)(C)F)N1C;BYPNWFQQTLOXDR-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276681;MM276681;CC1C(C(C)(C)C)N1C=N;UWVWWYDIGHFBBF-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276682;MM276682;C=NN1C(C)C1C(C)(C)C;WSHKWVFVVCMPGL-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276683;MM276683;C=NN1C(C)C1C(C)(C)N;OBQWFVJDQVUSHL-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276684;MM276684;CC1C(C#N)N1C(C)(C)C;GJIPHZGLZBLDJL-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276685;MM276685;C#CC1C(C(C)(C)C)N1C;NJECUCRTPSYWFV-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276686;MM276686;C#CC1C(C(C)(C)N)N1C;UJYALFRACMCPAA-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276687;MM276687;C=Cc1n[nH]c(OC)c1N;FEYYNIJDXXWKJU-UHFFFAOYSA-N;139.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276688;MM276688;C#CC1C(C(C)(C)F)N1C;KYUGKYOARWZRGM-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276689;MM276689;CCC1CC1CC(C)(C)C;CAKAOIIYWQKHJI-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276690;MM276690;CCC1CC1CC(C)(C)N;OHBYTKJXXMINBJ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276691;MM276691;CCC1CC1NC(C)(C)C;ZXPZJYVELMIMEC-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276692;MM276692;CCC1CC1OC(C)(C)C;MGSOYCWCIPNNJX-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276693;MM276693;CCC1CN1CC(C)(C)N;VRHUGRKUDCBMED-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276694;MM276694;CC(C)(C)CC1CC1C#N;LUSNPVVKCMGXKR-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276695;MM276695;C=CC1CC1CC(C)(C)N;DXQUXBSEIVOFSK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276696;MM276696;C=CC1CC1CC(C)(C)F;SMBGCPKVOIPHFH-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276697;MM276697;CC(C)(C)CC1NC1C#N;QGKBHCTYMLPEKK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276698;MM276698;CC(C)(F)CC1NC1C#N;CAXZWOXQSKIYTL-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276699;MM276699;C=CC1OC1CC(C)(C)F;WENUDJWIILEUBU-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276700;MM276700;C=NN1CC1CC(C)(C)F;YHTIEUWOTBDEBW-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276701;MM276701;CC(C)(C)CN1CC1C#N;NCYUEVIGVJLMFJ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276702;MM276702;CC#Cc1onc(N)c1N;KMDSQLUVKHNCNR-UHFFFAOYSA-N;137.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276703;MM276703;C#CC1NC1CC(C)(C)C;LJXCVUNAWLJMBO-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276704;MM276704;CC1CC1CCC(C)(C)F;QEOZDDIELPUHJQ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276705;MM276705;CC1CC1C=CC(C)(C)F;LZOVXMIKIQGBTG-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276706;MM276706;CC1CN1C=NC(C)(C)C;PDFGJJVQEFKRPQ-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276707;MM276707;CC(=CCO)C(N)=O;PBMWEQHOZPTUQQ-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276708;MM276708;CC1CC(C)(C)C(C)C1C;GWIPORWQBPYTFL-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276709;MM276709;CC1C(N)C(N)CC1(C)C;UMLBTWSMMQPRLR-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276710;MM276710;CC1C(N)C(O)CC1(C)C;BGQSWZIVAQCOBQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276711;MM276711;CC1CC(C)(C)C(C)C1F;VUQCPFFZFKTATO-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276712;MM276712;CC1CC(C)(N)C(C)C1C;HJXMGTHVRAZUPT-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276713;MM276713;CC1C(N)CC(C)(N)C1C;PUQYUQMISPXYCD-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276714;MM276714;CC1CC(C)(N)C(C)C1N;BKOTYEQYMXTJHQ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276715;MM276715;CC1NC(C)(C)C(C)C1O;BEKNIXIWBDNKEO-UHFFFAOYSA-N;143.23;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276716;MM276716;CC1OC(C)(C)C(C)C1C;WNAPPXYDFMUHKU-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276717;MM276717;C=C1CC(C)(C)C(C)C1N;AJMOUSMTTVQPQW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276718;MM276718;CC(C)=NN(C)C(N)=O;KHOIUXDUSDBKIA-UHFFFAOYSA-N;129.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276719;MM276719;CC1N(C)C(=N)CC1(C)C;QGYYTCMHIKQAHN-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276720;MM276720;CC1N(C)C(=O)CC1(C)C;KWGUYZMMHVVVJY-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276721;MM276721;C=C1C(C)CC(C)(C)C1C;OBYFYHLZUOVNDJ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276722;MM276722;CC1C(=O)C(O)CC1(C)C;GTVRDGMGZXFNJB-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276723;MM276723;C=C1C(C)CC(C)(N)C1C;FVEVBCUMBJNXRF-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276724;MM276724;NN=CCN(N)C(N)=O;GLHHDWKZOLKBSM-UHFFFAOYSA-N;131.14;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276725;MM276725;C=C1C(C)NC(C)(C)C1C;RUXLBLPFXWSTQX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276726;MM276726;C=C1C(C)OC(C)(C)C1C;FHFSSHPGNLYAKQ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276727;MM276727;CC1C(=N)N(C)CC1(C)C;XBICERVIGFSCTL-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276728;MM276728;CC1C(=N)N(C)NC1(C)C;ZZFRLMNEDHVMMK-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276729;MM276729;CC1CC(C)(C)N(C)C1=N;UMYOGGDCIJEBPT-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276730;MM276730;CN1CC(C)(C)N(C)C1=N;TUJYOJPNEVUYAM-UHFFFAOYSA-N;141.22;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276731;MM276731;C=C1CC(C)(C)C(C)C1=C;BBGFYMRVHRDABS-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276732;MM276732;C=C1C(=O)CC(C)(C)C1C;GJZJPYGSCXLFRO-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276733;MM276733;C=C1CC(C)(C)C(C)C1=O;MJAIYJRAMRCZOC-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276734;MM276734;CC1C(=O)C(=O)CC1(C)C;YHJBEOWTWJHMFC-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276735;MM276735;C=C1CC(C)(N)C(C)C1=C;MBUUHPYZVQVQIP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276736;MM276736;N#CCNCC(=O)CF;MSTUOMZUUYHFNI-UHFFFAOYSA-N;130.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276737;MM276737;C=C1C(=N)NC(C)(C)C1C;DUQYPOZGYYTCAG-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276738;MM276738;C=C1C(=O)NC(C)(C)C1C;QGJMAUFQJDEVHL-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276739;MM276739;CC1C(=O)C(=N)NC1(C)C;MLTJPPILOXMDPS-UHFFFAOYSA-N;140.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276740;MM276740;C=C1OC(C)(C)C(C)C1=C;FNPDKBGFMQUQGX-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276741;MM276741;C=C1CC(C)(C)N(C)C1=N;KDCFYHVBYGWONI-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276742;MM276742;CN1C(=N)C(=O)CC1(C)C;CPALFBAUFXXNLG-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276743;MM276743;C=C1C(C)C(C)CC1(C)C;BGFJDLCEMLCDMO-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276744;MM276744;C=C1C(N)C(C)CC1(C)C;DTPUIUSUULDRSY-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276745;MM276745;C=C1C(N)C(O)CC1(C)C;WMYBZYKSGZXUHY-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276746;MM276746;C=C1C(C)C(C)CC1(C)N;LKUVXBGRQLFAPM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276747;MM276747;C=C1C(C)C(C)NC1(C)C;IXXCPTWTJLZWRR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276748;MM276748;C=C1C(N)C(C)NC1(C)C;UAFIPWCILJGNJL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276749;MM276749;C=C1C(C)N(C)CC1(C)C;PTKOSCYWHFTLRC-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276750;MM276750;C=C1CC(C)(C)C(=C)C1C;OTMRBKZAGFXTDJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276751;MM276751;C=C1CC(C)(C)C(=C)C1N;MSTJCSGTAKSEMC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276752;MM276752;C=C1CC(C)(N)C(=C)C1N;UTHDPAATSQFIBE-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276753;MM276753;C=C1N(C)C(=N)CC1(C)C;GDFZRGBGFAKXAF-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276754;MM276754;C=C1N(C)C(=O)CC1(C)C;SKTXZOZJURRRLK-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276755;MM276755;C=C1N(C)C(=N)NC1(C)C;FWRIJMMVUHULFP-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276756;MM276756;C=C1C(=C)C(C)(C)CC1C;HIEYDSURFBILHG-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276757;MM276757;C=C1C(=C)C(C)(C)CC1N;IMZPCZCMLHHBAE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276758;MM276758;C=C1C(=O)C(C)CC1(C)C;FXYRXBLEQWEMBH-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276759;MM276759;C=C1C(=C)C(C)(N)CC1C;YTESGQCLRLEHHU-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276760;MM276760;C=C1C(=C)C(C)(N)CC1N;PJQCXSWHEYPVJB-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276761;MM276761;C=C1C(=C)C(C)(N)CC1O;BUESJDCVRLSKFQ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276762;MM276762;COC(=O)N(N)CCO;KPDMSVSTIVFLOG-UHFFFAOYSA-N;134.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276763;MM276763;C=C1C(=C)C(C)(O)CC1N;WSBFCAKGUBLOEK-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276764;MM276764;C=C1C(=C)C(C)(C)NC1C;CHGRUJHMGKETPH-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276765;MM276765;C=C1C(=C)C(C)(C)OC1C;ARCYDWQLTATOFV-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276766;MM276766;C=C1C(=N)N(C)CC1(C)C;MSCJQISXIADJKA-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276767;MM276767;C=C1C(=N)N(N)CC1(C)C;LAYNPEGZLRVHIL-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276768;MM276768;C=C1C(=N)N(O)CC1(C)C;DNXZWXDABODUJL-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276769;MM276769;C=C1C(=O)N(C)CC1(C)C;BIPSCCMLXXUAPX-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276770;MM276770;C=C1C(=N)N(C)CC1(C)N;VWRAVCJPAMACDI-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276771;MM276771;C=C1C(=O)N(C)CC1(C)N;AXTUPEAKVTZRHM-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276772;MM276772;C=C1C(=N)N(C)CC1(C)O;PZJYNILOLIWEBD-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276773;MM276773;C=C1C(=N)N(C)NC1(C)C;LVCQOKNRAVXFRY-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276774;MM276774;C=C1C(=O)N(C)NC1(C)C;OTRNOASMYXFHCB-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276775;MM276775;C=C1CC(C)(C)C(=C)C1=C;AXAMNAHMQQFOSY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276776;MM276776;C=C1C(=C)C(C)(C)CC1=O;SCDFTSBVIYOLPM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276777;MM276777;C=C1CC(C)(C)C(=C)C1=O;UHEWSXSTFWTARH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276778;MM276778;C=C1C(=O)C(=O)CC1(C)C;UGNKBNVINVVTAE-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276779;MM276779;C=C1CC(C)(N)C(=C)C1=C;WHEDJOJAKRRICQ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276780;MM276780;C#CC(=O)N(N)CCO;BUEGSIQREYPVFL-UHFFFAOYSA-N;128.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276781;MM276781;C=C1C(=C)C(C)(C)NC1=N;ZPKLVEZIRDRKTL-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276782;MM276782;C=C1C(=C)C(C)(C)NC1=O;OKOSTMUCMXMOTG-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276783;MM276783;C=C1C(=O)C(N)=NC1(C)C;ULQLENXQPMXTTO-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276784;MM276784;C=C1C(=O)C(=O)NC1(C)C;CBHMHXYFGXASSP-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276785;MM276785;C=C1OC(C)(C)C(=C)C1=C;GEOYHOLHPGMUNE-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276786;MM276786;C=C1OC(C)(C)C(=C)C1=O;RPONFFKBUQEZCH-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276787;MM276787;CC1=CC(C)(C)C(C)C1C;HTQRRYQUEPRVLS-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276788;MM276788;CC1=CC(C)(C)C(C)C1N;PKCKQERALBEGAR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276789;MM276789;CC1=CC(C)(N)C(C)C1N;ROXYHBLBLWHMGF-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276790;MM276790;CC1=CC(C)(N)C(C)C1O;ORGPHBQIZCZBAD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276791;MM276791;CC1=CC(C)(O)C(C)C1O;QHOQFZJMEYQLQS-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276792;MM276792;CC1=NC(C)(C)C(C)N1C;RVPFFXPYVHRITK-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276793;MM276793;CC1=CC(C)(C)N(C)C1C;IARLLFIFVYOEIE-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276794;MM276794;C=C1C(C)=CC(C)(C)C1C;OWLNHUSVLRMXFZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276795;MM276795;CC1=CC(C)(C)C(C)C1=O;TYIHOMSQJGCXKF-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276796;MM276796;C=C1C(C)=CC(C)(N)C1C;LWITWIBOFDPALY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276797;MM276797;C#CCN(CCO)N=C;SJNBDTCXOOHEJS-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276798;MM276798;CC1=CC(C)(O)C(C)C1=O;LSHLHLWYAYGPGE-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276799;MM276799;C=C1C(C)=CC(C)(F)C1C;RVIMTAZRXXQUTR-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276800;MM276800;CC1=CC(C)(C)N(C)C1=N;LNCSLYXYWWPBPV-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276801;MM276801;CC1=CC(C)(C)N(C)C1=O;XFLVURYUIHLIHP-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276802;MM276802;C=C1C(C)C(C)=CC1(C)C;AKXSJHBIJNYEKV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276803;MM276803;C=C1C(N)C(C)=CC1(C)C;GLQGJXLGMCBUCA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276804;MM276804;C=C1C(C)C(C)=CC1(C)N;AQEPIXDLUJQGTR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276805;MM276805;C=C1C(N)C(C)=CC1(C)N;JJSLCHKMAZRBPN-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276806;MM276806;C=C1C(N)C(C)=CC1(C)O;YKGGTRXXFBRXJD-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276807;MM276807;C=C1N(C)C(C)=NC1(C)C;OLWDQGRKGCAHJX-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276808;MM276808;C=C1C(=C)C(C)(C)C=C1C;GNNYNYHKJZYVOA-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276809;MM276809;C=C1C(=C)C(C)(C)C=C1F;RJYYOPMVSXVDOF-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276810;MM276810;C=C1C(=O)C(C)=CC1(C)C;XHLQJSFPKKVTCB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276811;MM276811;C=C1C(=C)C(C)(N)C=C1C;UVLXCKJKUCLEGV-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276812;MM276812;C=CCC(=CF)C(N)=O;PBCVGRYNKYCCBM-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276813;MM276813;C=C1C(=O)C(C)=CC1(C)O;APGYECDOIXSOJW-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276814;MM276814;C=C1C(=C)C(C)(F)C=C1C;PWTBXBZPLDEZGJ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276815;MM276815;CC1=C(C)C(C)C(C)(C)C1;LGCPOFBAGFBGLX-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276816;MM276816;CC1=C(C)C(C)C(C)(N)C1;ABUPHDRJFFSDMO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276817;MM276817;Cc1cn(O)c(C)c1N;LPLRDQOEDFPPDM-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276818;MM276818;CC1=C(C)C(C)C(C)(C)O1;NLKFANJYABZIFY-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276819;MM276819;C=C1C(C)=C(C)CC1(C)C;NQAIAKFYAKQXOD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276820;MM276820;C=C1C(C)=C(C)CC1(C)N;NURDTPWKGUPVFB-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276821;MM276821;C#Cc1onc(N)c1N;MOHQAHBDSZAYSP-UHFFFAOYSA-N;123.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276822;MM276822;C=C1C(C)=C(C)OC1(C)C;ZTXBZCSZNZEMFD-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276823;MM276823;CC1=C(C)C(C)(C)CC1C;ARLFNKBVGDWHAE-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276824;MM276824;CC1=C(C)C(C)(C)CC1N;BZNOSPHKPGUSNO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276825;MM276825;CC1=C(C)C(C)(N)CC1C;YXJKAAOGJXYMFH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276826;MM276826;CC1=C(C)C(C)(N)CC1N;KHIBMJUEEAYJQA-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276827;MM276827;CC(F)CNN=CC(N)=O;IUTYWEGRONMABF-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276828;MM276828;CC1=C(C)C(C)(O)CC1N;XKWRVSZIBDRPRZ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276829;MM276829;CC1=C(C)C(C)(F)CC1C;SXKMCDUWBZUCJP-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276830;MM276830;CC1=C(C)C(C)(C)NC1C;ADNXJCSMABJZIA-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276831;MM276831;CC1=C(C)C(C)(C)OC1C;JPCGEKRCPKQEQR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276832;MM276832;C=C1CC(C)(C)C(C)=C1C;PEJKTNGOCQYTNR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276833;MM276833;CC1=C(C)C(C)(C)CC1=O;BHWSUESVZDAOGN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276834;MM276834;C=C1CC(C)(C)C(C)=C1F;AQRMEILIQHXARS-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276835;MM276835;CC1=C(F)C(=O)CC1(C)C;ZWGLJGATPCJGDG-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276836;MM276836;C=C1CC(C)(N)C(C)=C1C;RBSCCKMRQVGQOK-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276837;MM276837;CN(C=CC(N)=O)C(N)=O;OBDFMHPHZSAHHM-UHFFFAOYSA-N;143.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276838;MM276838;CC1=C(C)C(C)(O)CC1=O;MCFCPCNMIKPURD-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276839;MM276839;CC1=C(C)C(C)(C)NC1=N;XRWPOILLSQTPHL-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276840;MM276840;CC1=C(C)C(C)(C)NC1=O;SDRIOAZMUYPDPE-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276841;MM276841;C=C1OC(C)(C)C(C)=C1C;NBWMCXOTYCBGHA-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276842;MM276842;CC1=C(C)C(C)(C)OC1=O;NIHWNUILYNGFNO-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276843;MM276843;CC1=CC(C)(C)C(C)=C1C;ICWJGNMBERNILD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276844;MM276844;CC1=C(C)C(C)(C)C=C1F;NTFSXSKVHJXWEJ-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276845;MM276845;CC1=CC(C)(C)C(C)=C1F;MLYFRFPPKLWJGN-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276846;MM276846;CC1=CC(C)(N)C(C)=C1C;JBRXMNPQVRJQLK-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276847;MM276847;CC1=C(C)C(C)(N)C=C1F;XQVCZKSPHVFJDO-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276848;MM276848;CC1=CC(C)(N)C(C)=C1F;KEHDYZKMPDHZOX-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276849;MM276849;CC(C)=NN(C=O)CC=O;BRHUUEWLRRZVKY-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276850;MM276850;CCC(C)C1CC(C)(C)C1;NIZMOMFSAMYLNL-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276851;MM276851;CC1(C)CC(C(N)CN)C1;SBCXDCOQNAZTIF-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276852;MM276852;CCC(C)C1CC(C)(F)C1;WIWCQFBHTVOXHW-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276853;MM276853;CCC(O)C1CC(C)(F)C1;SDHHEQYIUHWXBW-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276854;MM276854;CC(CN)C1CC(F)(F)C1;HGQQWAMNZGLSEA-UHFFFAOYSA-N;149.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276855;MM276855;CCC(C)N1CC(C)(C)C1;IVHQDDVQPDNQNS-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276856;MM276856;CC(CN)N1CC(C)(N)C1;FCKZSGNYHLGNIQ-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276857;MM276857;CN(C=N)C1CC(C)(N)C1;XKOCOIQVUTWKBR-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276858;MM276858;CN(C=O)C1CC(C)(O)C1;ZZWHQTSBSNMCDH-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276859;MM276859;CN(C=N)C1CC(C)(F)C1;WKVNXBBRVCCUMG-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276860;MM276860;CN(C=O)C1CC(C)(F)C1;UAJYFJJVAMGATB-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276861;MM276861;CC1(F)CC(N(N)C=N)C1;KCKDKXAUFDBBKU-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276862;MM276862;CC1(F)CC(N(N)C=O)C1;LBDPQVOYIIGPES-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276863;MM276863;CN(C=N)C1CC(F)(F)C1;DFEOOHFVFYSLAY-UHFFFAOYSA-N;148.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276864;MM276864;CN(C=O)C1CC(F)(F)C1;LZFMXBIEPQSQEP-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276865;MM276865;N=CN(N)C1CC(F)(F)C1;HICCASXDFAFIBH-UHFFFAOYSA-N;149.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276866;MM276866;NN(C=O)C1CC(F)(F)C1;KLHJOGRJKWDVKJ-UHFFFAOYSA-N;150.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276867;MM276867;C=NN(C)C1CC(C)(N)C1;IUCWXZHDMPWAAJ-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276868;MM276868;C=NN(C)C1CC(C)(F)C1;XTYWRZGOSQXOGX-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276869;MM276869;C=NN(C)C1CC(F)(F)C1;PQHHNRHTLIDPMT-UHFFFAOYSA-N;148.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276870;MM276870;CN(C=O)N1CC(C)(C)C1;VGEXLIMOPBXONU-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276871;MM276871;CN(C=N)N1CC(C)(N)C1;UNQNXPOGVWKLDF-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276872;MM276872;CN(C=N)N1CC(F)(F)C1;ZAZVXQXVCUKVHZ-UHFFFAOYSA-N;149.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276873;MM276873;CN(C=O)N1CC(F)(F)C1;LSSZELRPAWOJRG-UHFFFAOYSA-N;150.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276874;MM276874;C=C(CC)C1CC(C)(C)C1;ORARUSDUQLFZIT-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276875;MM276875;C=C(CN)C1CC(C)(C)C1;XRPBTECDEHFOLS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276876;MM276876;COCC(=O)N(N)CCO;SSMWCFIDAWXMKI-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276877;MM276877;C=C(CF)C1CC(C)(C)C1;XZDUIMBHEHZBTO-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276878;MM276878;C=C(CC)C1CC(C)(N)C1;JHNFRVSWBVQIKF-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276879;MM276879;C=C(CN)C1CC(C)(N)C1;ZBHKGVCHTYTLTL-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276880;MM276880;C=C(CO)C1CC(C)(N)C1;RAODMVSINBMEGQ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276881;MM276881;C=C(CF)C1CC(C)(N)C1;QTUICRJWZXRWLD-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276882;MM276882;CCOC(=O)N(N)CCO;GJPIJWKSMQMDRI-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276883;MM276883;N=C(OC=O)N(N)CCO;GFHDMPLGQPDHTB-UHFFFAOYSA-N;147.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276884;MM276884;C=NOC(=N)N(N)CCO;IZIKTKGMUSLGFF-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276885;MM276885;CCC(=O)C1CC(C)(O)C1;FBCGZUNZIWFDIM-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276886;MM276886;CC1(O)CC(C(=O)CF)C1;JURGJWPHIWQJRC-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276887;MM276887;C=C(CC)C1CC(C)(F)C1;JKRCETPZZJMOQI-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276888;MM276888;C=C(CN)C1CC(C)(F)C1;DNXFHOHOUFUTIP-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276889;MM276889;C=NOC(=O)N(N)CCO;DIIDWGDNDMCHLK-UHFFFAOYSA-N;147.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276890;MM276890;CCC(=O)C1CC(C)(F)C1;SNNLOSPOULQRBU-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276891;MM276891;C=C(CC)C1CC(F)(F)C1;KGONPDRYHMJBGR-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276892;MM276892;C=C(CN)C1CC(F)(F)C1;HNTKNYAMTOQZOS-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276893;MM276893;CCC(=O)C1CC(F)(F)C1;BBFJYNGQJZVPQS-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276894;MM276894;O=C(CO)C1CC(F)(F)C1;PVUJGGFYIGUPOG-UHFFFAOYSA-N;150.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276895;MM276895;O=C(CF)C1CC(F)(F)C1;WBTBATMKWWBRAW-UHFFFAOYSA-N;152.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276896;MM276896;CNC(=O)C1CC(C)(N)C1;KYWAMBNLGMXYFQ-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276897;MM276897;CNC(=N)C1CC(C)(O)C1;RWKYVIWRWIBVNO-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276898;MM276898;CC1(O)CC(C(=N)NN)C1;OFVWEJKOVVCDQG-UHFFFAOYSA-N;143.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276899;MM276899;CNC(=O)C1CC(C)(O)C1;RDTWFSDVJGRGBV-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276900;MM276900;CC1(F)CC(C(=N)NO)C1;QXZVHSGJTJXFAX-UHFFFAOYSA-N;146.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276901;MM276901;CNC(=O)C1CC(C)(F)C1;MKCHANKBEMOQDJ-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276902;MM276902;C#CCC(=O)C(=N)NN=C;AVPBCYGEXAHCBD-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276903;MM276903;CNC(=N)C1CC(F)(F)C1;CKBVYNCFIRFPAZ-UHFFFAOYSA-N;148.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276904;MM276904;N=C(NO)C1CC(F)(F)C1;RMCBPBWETJTGMP-UHFFFAOYSA-N;150.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276905;MM276905;CNC(=O)C1CC(F)(F)C1;UVHXGNNBSPBAMB-UHFFFAOYSA-N;149.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276906;MM276906;CC#CC(=O)N(N)CCO;ZFRBWKNGHLKIFF-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276907;MM276907;O=C(NO)C1CC(F)(F)C1;XOSXOOVCSBQKQG-UHFFFAOYSA-N;151.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276908;MM276908;C=C(OC)C1CC(F)(F)C1;DSTRSYRGRXCVRB-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276909;MM276909;C=CC(=C)C1CC(C)(C)C1;ZUUHLABZMINCEO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276910;MM276910;C=C(C=O)C1CC(C)(C)C1;GBHQXLLYZVQUDW-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276911;MM276911;C=CC(=C)C1CC(C)(N)C1;FPUDJRWZWPXPLP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276912;MM276912;CCC(=NC)N(N)C(N)=O;JBCKIYFMQIBUEM-UHFFFAOYSA-N;144.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276913;MM276913;CN(NCCCO)C(N)=O;KNXYAEQENZQISM-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276914;MM276914;C#CC#CCC(=C)C(N)=O;FCZMFUQSPQZTRG-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276915;MM276915;C=CC(=C)C1CC(C)(F)C1;PVRGWIKXLALTFR-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276916;MM276916;C=C(C=O)C1CC(C)(F)C1;VOPHJGOBNNDZIP-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276917;MM276917;C=C(C#N)C1CC(C)(F)C1;PLUVSBDTNQBJJP-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276918;MM276918;C=CC(=O)C1CC(C)(F)C1;XXFIFVXJZSSPCG-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276919;MM276919;CC1(F)CC(C(=O)C=O)C1;ASZSVFBMBWRNRO-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276920;MM276920;CC1(F)CC(C(=O)C#N)C1;VWOHMZQRLSKHML-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276921;MM276921;C=CC(=C)C1CC(F)(F)C1;QVHLWFGYDJQCCE-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276922;MM276922;C=C(C#N)C1CC(F)(F)C1;RJNDKNDIKHZBJT-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276923;MM276923;C=CC(=O)C1CC(F)(F)C1;BUSHSPLEKRLCNY-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276924;MM276924;O=CC(=O)C1CC(F)(F)C1;VIUAYSGGRQSIOJ-UHFFFAOYSA-N;148.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276925;MM276925;N#CC(=O)C1CC(F)(F)C1;YOFAPPMFLGXJIF-UHFFFAOYSA-N;145.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276926;MM276926;CC1(F)CN(C(=N)C#N)C1;RUURUSMYFCCBQT-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276927;MM276927;C#CC(=C)C1CC(C)(N)C1;SIOIYLCGSXJNII-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276928;MM276928;CC=CC=NN(C)C(N)=O;AGZNLIDONLDPGX-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276929;MM276929;C#CC(=C)C1CC(C)(F)C1;YFINAPZMSGCTTM-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276930;MM276930;C#CC(=O)C1CC(C)(F)C1;CYWOCIADAQINQR-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276931;MM276931;C#CC(=C)C1CC(F)(F)C1;IEBZZGSXMPDNFQ-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276932;MM276932;C#CC(=O)C1CC(F)(F)C1;KJENFICLBCPMGE-UHFFFAOYSA-N;144.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276933;MM276933;C#CC(=N)N1CC(C)(F)C1;CCKSDPIYGGCSSC-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276934;MM276934;CC=C(C)C1CC(C)(C)C1;LJRSCJBMLPGUEG-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276935;MM276935;CC=C(C)C1CC(C)(N)C1;NUBFBWKBWJVINX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276936;MM276936;CC(=CF)C1CC(C)(N)C1;KPCRDKSCNZUFQA-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276937;MM276937;C#CCC(=N)N(C)C(N)=O;FLGIQHPKQVCTQZ-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276938;MM276938;CC=C(C)C1CC(C)(F)C1;CMIRULVZCZDHLG-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276939;MM276939;CC=C(F)C1CC(C)(F)C1;QNZBIVGBVXZMGM-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276940;MM276940;CC=C(C)C1CC(F)(F)C1;MMADFUUSKFUEMY-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276941;MM276941;CC=C(F)C1CC(F)(F)C1;AQFAWTPPGNIQQK-UHFFFAOYSA-N;150.14;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276942;MM276942;CC(=NN)C1CC(C)(F)C1;LJWNOLXHEKVCQC-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276943;MM276943;CC(=NO)C1CC(C)(F)C1;NQFQTGHFWVLSIM-UHFFFAOYSA-N;145.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276944;MM276944;CC(=NO)C1CC(F)(F)C1;YZLUDIVQMYAZJE-UHFFFAOYSA-N;149.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276945;MM276945;CC(O)C1CC(C)(N)C1C;QTGGHXYTQNUEFR-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276946;MM276946;CCC1=CC(C)(C)CC1C;BAKWAPXHBROQSP-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276947;MM276947;CC1CC(C)(C)C=C1CN;NFTUXXDREHYJNR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276948;MM276948;CCC1=CC(C)(N)CC1C;LERSXUYKWUKFDK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276949;MM276949;CN(N)C(=O)N(N)CCO;PTNBVXKZTTVPOI-UHFFFAOYSA-N;148.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276950;MM276950;CCC1=CC(C)(F)CC1C;NLQVTUMUHMYJIU-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276951;MM276951;C=CC1=CC(C)(C)CC1C;ZQYVIGCXCCCVBR-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276952;MM276952;CC1CC(C)(C)C=C1C#N;FSAXMHFUGBZPSX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276953;MM276953;C=CC1=CC(C)(C)CC1N;YZSPHLWZSQKQAZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276954;MM276954;C=CC1=CC(C)(N)CC1C;ODEDGPTWHHCYRX-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276955;MM276955;CC1CC(C)(O)C=C1C#N;PDEUQHXISULGGG-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276956;MM276956;CC1CC(C)(F)C=C1C#N;ZCYKSKGKGXZGFS-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276957;MM276957;C#CC1=CC(C)(C)CC1C;YQQGYFFIVNMGTG-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276958;MM276958;C#CC1=CC(C)(C)CC1N;FZEBOCOHECUBCO-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276959;MM276959;C#CC1=CC(C)(N)CC1C;VLPRKCOKIMTXIQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276960;MM276960;C=C(F)C(=O)N(N)CCO;OWBNXIIEKQPFPH-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276961;MM276961;C#CC1=CC(C)(F)CC1C;LBTNLWYGHWKYTR-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276962;MM276962;C#CC1=CC(F)(F)CC1C;VIWPXAPDIBWZMM-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276963;MM276963;C#CC1=CC(C)(C)NC1C;BKDKYSNIOKBHED-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276964;MM276964;C=CC1=CC(C)(C)CC1=C;SBFWUWVUNPHKGV-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276965;MM276965;C=CC1=CC(C)(N)CC1=C;CHGIGNULTVSFMZ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276966;MM276966;C#CC1=CC(C)(C)CC1=C;DKKYDKNPFUKSRF-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276967;MM276967;C#CC1=CC(C)(N)CC1=C;HUFFOKYJWLUVRD-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276968;MM276968;C#CC1=CC(C)(C)C=C1C;OCMYPGFBBHXISJ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276969;MM276969;CC(C)C(C)C1CC1(C)C;QVFQRBCKUFYQGU-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276970;MM276970;CC(N)C(C)C1CC1(C)C;CVTMZQLGPUEDCG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276971;MM276971;CC(C)C(N)C1CC1(C)C;BFIHLNAFYFFRRU-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276972;MM276972;CC(N)C(N)C1CC1(C)C;LLMJFRLIODYJOD-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276973;MM276973;CC(N)C(O)C1CC1(C)C;BQVOEFBFMUYGEK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276974;MM276974;CC(C)C(F)C1CC1(C)C;WIVPOTNYPUSWSG-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276975;MM276975;CC(C)C(C)C1CC1(C)N;UZQBFAOXHKRCLF-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276976;MM276976;CC(C)C(N)C1CC1(C)N;PSNHWHHAWRFSDF-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276977;MM276977;CC(N)C(N)C1CC1(C)N;WRSNKXYQPGAQNJ-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276978;MM276978;CC(C)C(O)C1CC1(C)N;TXYLJOMDEVCNKN-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276979;MM276979;CC(N)C(O)C1CC1(C)N;INQVKVPGKLPMPQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276980;MM276980;CC(N)C(C)C1CC1(C)O;WDFFLUVMEUAKQX-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276981;MM276981;CC(O)C(C)C1CC1(C)O;JUPQUXJAAWLGFX-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276982;MM276982;CC(C)C(N)C1CC1(C)O;VRRDPLFODHBPOU-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276983;MM276983;CC(C)C(C)C1CC1(C)F;HALFTZKQWWTRNE-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276984;MM276984;CC(N)C(C)C1CC1(C)F;YKSRKBVPXADPHM-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276985;MM276985;CC(C)C(N)C1CC1(C)F;JBKWDCPKDRDARE-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276986;MM276986;CC(C)C(C)C1CC1(F)F;GSUAIVWPEHXCKJ-UHFFFAOYSA-N;148.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276987;MM276987;CC(C)C(N)C1CC1(F)F;QUFDULRPXQHIJF-UHFFFAOYSA-N;149.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276988;MM276988;CC(C1CC1(C)F)N(C)C;QHLUPZLRLSVUIX-UHFFFAOYSA-N;145.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276989;MM276989;CC(C)N(C)C1CC1(C)C;POOHAJRTGJLOEL-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276990;MM276990;CC(C)N(C)C1CC1(C)N;DCHSXXFWVYPDRL-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276991;MM276991;CC(C)N(C)C1CC1(C)O;JSARAXJKZPMOOI-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276992;MM276992;CC(C)N(C)C1CC1(F)F;FLJBAENDEDQIMI-UHFFFAOYSA-N;149.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276993;MM276993;CC(N)C(C)C1NC1(C)C;LAPLLCXMWXPBPY-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276994;MM276994;CC(N)C(O)C1NC1(C)C;HXDGYGYEKIUDKK-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276995;MM276995;CC(C)C(F)C1NC1(C)C;HSSCGYPKXKDIKE-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276996;MM276996;CC(C)C(C)C1OC1(C)C;CFYWMWBLNJLZLB-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276997;MM276997;CC(N)C(C)C1OC1(C)C;XNYYMAHWVJCUNE-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276998;MM276998;CC(C)C(N)C1OC1(C)C;NKIOGSLIFIGUOW-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM276999;MM276999;CC(O)C(N)C1OC1(C)C;LHKNDKRQPYVMCI-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277000;MM277000;CC(C)C(O)C1OC1(C)C;PLNWNXNKULDZDI-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277001;MM277001;CC(N)C(O)C1OC1(C)C;XYEPSEIQRRXCBO-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277002;MM277002;CC(C)C(F)C1OC1(C)C;HRLJZTKXXTUCEA-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277003;MM277003;CC(N)C(C)N1CC1(C)C;LVMGYTASAVTGJF-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277004;MM277004;C=C(C)C(C)C1CC1(C)C;ACHRNJLKAJKTEO-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277005;MM277005;C=C(C)C(N)C1CC1(C)C;QWGMSIGZSFXAER-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277006;MM277006;CCN=C(C)N(N)C(N)=O;BGQSVKWKVGPTFH-UHFFFAOYSA-N;144.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277007;MM277007;CC(=O)C(O)C1CC1(C)C;GOEOHBQRCHXCPA-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277008;MM277008;C=C(C)C(C)C1CC1(C)N;MRVOPRZXUVEUTI-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277009;MM277009;C=C(C)C(N)C1CC1(C)N;UGPUTQFZOODPOY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277010;MM277010;CC1(N)CC1C(N)C(=N)N;XXOAAHGFCFIWTA-UHFFFAOYSA-N;142.21;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277011;MM277011;C=C(C)C(O)C1CC1(C)N;FXHVWZFPIUJXAY-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277012;MM277012;CN(C=O)NCC(=O)CF;DKMJWUADCVHJBC-UHFFFAOYSA-N;148.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277013;MM277013;CC(=O)C(C)C1CC1(C)O;DKGVOTYMCWXWRH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277014;MM277014;CC(C(=N)N)C1CC1(C)O;LEFKXERUEFOOIM-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277015;MM277015;C=C(C)C(N)C1CC1(C)O;LSCZNOLQEJYJHE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277016;MM277016;C=C(C)C(O)C1CC1(C)O;CKBRVPDNILJYFO-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277017;MM277017;C=C(C)C(C)C1CC1(C)F;PLQODQMHFKNBRL-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277018;MM277018;CC(C(=N)N)C1CC1(C)F;WROMFNCLZUDKFR-UHFFFAOYSA-N;144.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277019;MM277019;C=C(C)C(N)C1CC1(C)F;ZGLGDLDSPCYOIJ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277020;MM277020;CC1(F)CC1C(N)C(=N)N;OGSVLGDKLKRAJD-UHFFFAOYSA-N;145.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277021;MM277021;CC(=O)C(C)C1CC1(F)F;BSYHXFLFBFIDKN-UHFFFAOYSA-N;148.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277022;MM277022;CC(C(=N)N)C1CC1(F)F;VCGIRBFTUOVQOS-UHFFFAOYSA-N;148.16;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277023;MM277023;N=C(N)C(N)C1CC1(F)F;JIJBTSQHLSDRBH-UHFFFAOYSA-N;149.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277024;MM277024;CC(=N)N(C)C1CC1(C)C;PBZPUBUYTCDNKK-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277025;MM277025;CC(=O)N(C)C1CC1(C)C;XJHZWNMTLAGLLE-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277026;MM277026;CC(=N)N(N)C1CC1(C)C;OUHWKVWHNIOOLT-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277027;MM277027;CC(=O)N(N)C1CC1(C)C;BYWIIPICHWYJOC-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277028;MM277028;CC(=N)N(C)C1CC1(C)N;DBGKGBFQZPTLCY-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277029;MM277029;CC(=O)N(C)C1CC1(C)N;WWWSCAOEAASCSC-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277030;MM277030;CN(C(=N)N)C1CC1(C)N;CBOAXNGCHHWWPJ-UHFFFAOYSA-N;142.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277031;MM277031;CC(=N)N(C)C1CC1(C)O;PTJJUPJJTPIWMF-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277032;MM277032;CC(=O)N(C)C1CC1(C)O;LUJZMFUWMNEFNJ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277033;MM277033;CC(=N)N(N)C1CC1(C)O;GNNPCFOOTVFFEW-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277034;MM277034;C#CC(C)N(CCO)N=C;MZKOLXIBJDWOJL-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277035;MM277035;CC(=N)N(C)C1CC1(C)F;SIAFLBHJETYUKT-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277036;MM277036;CC(=O)N(C)C1CC1(C)F;PXCKHBMTXXTMDP-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277037;MM277037;CC(=N)N(N)C1CC1(C)F;KZMVLYBUGLEFOY-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277038;MM277038;CC(=O)N(N)C1CC1(C)F;YCMRKYYXIPHYRR-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277039;MM277039;CC(=N)N(C)C1CC1(F)F;RJDUDPUEONHLRH-UHFFFAOYSA-N;148.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277040;MM277040;CC(=O)N(C)C1CC1(F)F;MKPUZRVHKCNYMQ-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277041;MM277041;CC(=O)N(N)C1CC1(F)F;DVWPLZXQJPIIML-UHFFFAOYSA-N;150.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277042;MM277042;C=C(C)C(N)C1NC1(C)C;HBDROGHEYCOYIG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277043;MM277043;C=C(C)C(F)C1NC1(C)C;ZSTYFOYYIDSUFT-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277044;MM277044;C=C(C)C(C)C1OC1(C)C;JMURAEDZTBRJSK-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277045;MM277045;C=C(C)C(N)C1OC1(C)C;KIKAXBRAHZMDHU-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277046;MM277046;CC1(C)OC1C(N)C(=N)N;JXMQSTMCWSNNIO-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277047;MM277047;C=C(C)C(O)C1OC1(C)C;JZWIDSCLUBBBPK-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277048;MM277048;C=C(C)C(F)C1OC1(C)C;ZLRQFLOGWHWWDW-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277049;MM277049;CC(=O)N(C)N1CC1(C)C;UTGDUYBWPCWGGG-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277050;MM277050;C=C(C(C)C)C1CC1(C)C;AIGYAFGVFTYQPL-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277051;MM277051;C=C(C(C)N)C1CC1(C)C;LSXCODBEFAAEMW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277052;MM277052;CNN(CCO)C(=O)C#N;AMRPWVMYITWZHT-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277053;MM277053;CC(C)C(=O)C1CC1(C)C;SMYNEUWTVWXOAG-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277054;MM277054;C=C(C(C)C)C1CC1(C)N;CZZDHMOXQHEMJW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277055;MM277055;C=C(C(C)N)C1CC1(C)N;BEQQZJPLONBELM-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277056;MM277056;O=CCNN(C=O)CCO;NEKCLYVNTJLTSY-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277057;MM277057;C=C(C(C)O)C1CC1(C)O;AFYINFGPAKRNCT-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277058;MM277058;CC(C)C(=O)C1CC1(C)O;OWGVAWSSSQFSOO-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277059;MM277059;C=C(C(C)N)C1CC1(C)F;ALOOGQZMVNQWQW-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277060;MM277060;C=C(C(C)O)C1CC1(C)F;RKVVYYIQKMTKRP-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277061;MM277061;CC(C)C(=O)C1CC1(C)F;VJIKEYKMNMMUPC-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277062;MM277062;C=C(C(C)N)C1CC1(F)F;AEZIAGFGLUZIKS-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277063;MM277063;CN(C)C(=N)C1CC1(C)C;BYHDGUQRNGDCFI-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277064;MM277064;CN(C)C(=N)C1CC1(C)N;QIZQXPFJGWQTKI-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277065;MM277065;CN(C)C(=N)C1CC1(C)O;FBZVWLADHUUOBG-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277066;MM277066;CN(C)C(=N)C1CC1(C)F;KZBLFLHCXQQYPC-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277067;MM277067;C=C(C(C)N)C1NC1(C)C;GDTLJDNOXKDBTI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277068;MM277068;C=NN(CC#CC)CCO;DXDSZEMKHLVHOP-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277069;MM277069;CN(C)C(=N)C1NC1(C)C;AVMLFCAOQDNSQI-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277070;MM277070;C=C(C(C)C)C1OC1(C)C;FLDMUNPSVMENFJ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277071;MM277071;C=C(C(C)N)C1OC1(C)C;BHRKHMSNPHTGOX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277072;MM277072;CC(C)C(=O)C1OC1(C)C;LKWOPDUDQGHPHR-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277073;MM277073;CC(C)C(=N)N1CC1(C)C;AARDLAFXLIBXQV-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277074;MM277074;CC(N)C(=N)N1CC1(C)C;YZACKIPAQZKXAV-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277075;MM277075;CC(O)C(=N)N1CC1(C)C;ZBKNJPWMROCODX-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277076;MM277076;CC(C)C(=O)N1CC1(C)C;IPVRCIXFYILRGC-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277077;MM277077;CN(C)C(=N)N1CC1(C)C;NVBKOPHBVOSXRW-UHFFFAOYSA-N;141.22;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277078;MM277078;CN(C)C(=O)N1CC1(C)C;SVXCQWWYNGOJPE-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277079;MM277079;CN(N)C(=O)N1CC1(C)C;ZHVIRQNYYYOMAS-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277080;MM277080;CN(O)C(=O)N1CC1(C)C;DQOLHYJIVGKLNT-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277081;MM277081;C=C(C)C(=C)C1CC1(C)C;LRKUQGLAMRTAJX-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277082;MM277082;C=C(C(C)=O)C1CC1(C)C;WNKZUZZDDFEULF-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277083;MM277083;C=C(C)C(=O)C1CC1(C)C;JWMJTOOVMFPCIE-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277084;MM277084;C=C(C)C(=C)C1CC1(C)N;LRICXQACPXLOAV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277085;MM277085;C=NNCC(=CCO)OC;GEWVPLRGUNDKFI-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277086;MM277086;C=C(C(C)=O)C1CC1(C)O;SIJXXFULKZNCRY-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277087;MM277087;C=C(C)C(=O)C1CC1(C)O;SIFIACDYNKCGNH-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277088;MM277088;C=C(C)C(=C)C1CC1(C)F;SRBQVLIJHKLJAI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277089;MM277089;C=C(C(C)=O)C1CC1(C)F;MXMKQMBQGOGACB-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277090;MM277090;C=C(C(=N)N)C1CC1(C)F;JLXKAXBJAJQQNP-UHFFFAOYSA-N;142.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277091;MM277091;C=C(C)C(=O)C1CC1(C)F;KVMHGWWKDANJNL-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277092;MM277092;C=C(C)C(=C)C1CC1(F)F;XTTTXNMVSVIXNY-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277093;MM277093;C=C(C(C)=O)C1CC1(F)F;AQKAUTNYZTWCCJ-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277094;MM277094;C=C(C(=N)N)C1CC1(F)F;ZTOXSEBIWLGEQN-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277095;MM277095;CN(C)C(C#N)CNC=O;NBDHWZZXJFYPLV-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277096;MM277096;CNN(CCCO)C(N)=O;YIIQFGBOINUHBD-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277097;MM277097;C=C(C)C(=C)C1OC1(C)C;GNZAQUPNJUNMHE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277098;MM277098;C=C(C(C)=O)C1OC1(C)C;BYHIKGFLRGGHDM-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277099;MM277099;C=C(C)C(=O)C1OC1(C)C;VOMUIYMAYIJHKT-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277100;MM277100;C=C(C)C(=N)N1CC1(C)C;BSDPVYQNUFZCHO-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277101;MM277101;COC(=NN)N(N)CCO;NYASRTRNBSFJMU-UHFFFAOYSA-N;148.17;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277102;MM277102;C=C(C)C(=O)N1CC1(C)C;SMQZSMUOOBTWCI-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277103;MM277103;CC(=O)C(=O)N1CC1(C)C;YJNOYZKZUYPPMB-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277104;MM277104;CC1CCC(C)(C)CC1N;YROFDXDYTOMJHN-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277105;MM277105;C#Cc1n[nH]c(NC)c1C;NXJAIAMHGBIBEB-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277106;MM277106;CC1CC(C)(N)CCC1F;GIGHQQPJOQJFLY-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277107;MM277107;CC1CCC(C)(N)CC1N;DOCRTPRTTPJEFH-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277108;MM277108;CC1CCC(C)(N)CC1O;BNMJCSSCZKOTTH-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277109;MM277109;CC1(F)CCC(O)C(N)C1;ZQOYKWPBERXSJB-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277110;MM277110;CC1CC(F)(F)CCC1F;WMDNVQIZZLRSLI-UHFFFAOYSA-N;152.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277111;MM277111;CC1CNC(C)(C)CC1N;MWLSYXQPVLCGAB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277112;MM277112;C=C1CCC(C)(C)CC1=C;JUCNRCMWZLZFNE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277113;MM277113;C=C1CC(C)(C)CCC1=O;QWRKJGZSKUIQDA-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277114;MM277114;C=C1CCC(C)(C)CC1=O;RXRYQBMEDIRWOQ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277115;MM277115;C=C1CCC(C)(N)CC1=C;SYZLYPIILOHDQL-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277116;MM277116;O=CNCCC=NOC=O;DMTVDGFGUNSETL-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277117;MM277117;C=C1CCC(C)(O)CC1=O;ISSGLOXHGIDQRA-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277118;MM277118;C=C1CCC(C)(F)CC1=C;IXNUJRJFSHZMMJ-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277119;MM277119;C=C1CNC(C)(C)CC1=C;KKDFBAOKPWSFFR-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277120;MM277120;C=C1COC(C)(C)CC1=C;NQLAOCVGEFSUOA-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277121;MM277121;C=C1COC(C)(C)OC1=C;ZRRMISZOLJDZMH-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277122;MM277122;CC1C=CC(C)(O)CN1C;QLXDGNSMPPPALG-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277123;MM277123;CN1CC(C)(C)C=CC1=N;MEOIZXDLYMRAEI-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277124;MM277124;CC1(C)C=CC(=N)N(N)C1;DGZWAPVYKNYQNC-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277125;MM277125;CN1CC(C)(N)C=CC1=N;KMCJGAAWDANACB-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277126;MM277126;CN1CC(C)(O)C=CC1=N;LNEKWPRWJKWAAV-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277127;MM277127;C=C1C=CC(C)(C)CC1=O;HFHCKZVXFTZVGE-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277128;MM277128;C=C1C=CC(C)(O)CC1=O;VQSIFLQYICXUAF-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277129;MM277129;C=C1C=CC(C)(F)CC1=O;QFYOURATBSACPD-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277130;MM277130;CC1=CC(C)(O)CCC1O;NIULQWCDYTWBRZ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277131;MM277131;CC(=O)N(N)CCO;JUWQCJNSTDKZMJ-UHFFFAOYSA-N;118.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277132;MM277132;CC1=C(C)OCC(C)(C)C1;WZCCRIPCWOIPPJ-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277133;MM277133;CC1=C(C)OCC(C)(N)C1;SUMWPXZOHCULIX-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277134;MM277134;CC1=C(C)OCC(C)(O)C1;SKOAXWRHTXLDIB-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277135;MM277135;CC1=C(C)OCC(C)(F)C1;YJCJFKJNWGFIQY-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277136;MM277136;CC1=C(C)OC(C)(C)CO1;CGLDCDTWGFGYLG-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277137;MM277137;CC(C)C1=CCC(C)(C)C1;KUZRNAKWIKCGAC-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277138;MM277138;CC(O)C1=CC(C)(N)CC1;DRLYLHNYHXQQDT-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277139;MM277139;CC(C)C1=CC(C)(F)CC1;GMPTWZVPLCAHIC-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277140;MM277140;C=C(C)C1=CC(C)(C)CC1;HYDDPHORQXRXHA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277141;MM277141;C=C(C)C1=CC(C)(N)CC1;XMOCJLSDAZXVSD-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277142;MM277142;CN1CC(=O)OC1=N;JZUXPAQVOISZFR-UHFFFAOYSA-N;114.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277143;MM277143;C=C(C)C1=CC(C)(F)CC1;FZOSZRXRFFYNLT-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277144;MM277144;NC(=O)C1NC1C=O;VYRJEPQTBVUICV-UHFFFAOYSA-N;114.1;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277145;MM277145;C=C(C)C1=CC(C)(C)C=C1;WZNHBYYVKWIACQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277146;MM277146;C=C(C)C1=CC(C)(N)C=C1;LYNPTQFEQJGNNK-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277147;MM277147;CC1C(=O)C(C)(C)C1(C)C;WWGYMSFJMDJUNS-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277148;MM277148;CC1(F)CN(C=N)C1(C)C;OMGUBJHDFHETMV-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277149;MM277149;COC=NNCCO;FIJCAMZMODDXRM-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277150;MM277150;C=NN1CC(C)(F)C1(C)C;ISCNCOBYMYZYGK-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277151;MM277151;C=NN1CC(F)(F)C1(C)C;BKAHBZUCLBSCOU-UHFFFAOYSA-N;148.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277152;MM277152;CC1(C)CCC(F)C1(C)C;MFUDQTZDGRWVOR-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277153;MM277153;CC1(N)CCC(F)C1(C)C;SCHRGDVDCSOSEG-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277154;MM277154;CC1(O)CCC(O)C1(C)C;ULJUOSWQXFLRTK-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277155;MM277155;CC1(O)CCC(F)C1(C)C;QMSKBKGOKUMYQB-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277156;MM277156;CC1CNC(C)(C)C1(C)C;OVMVLPYTMFMYIR-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277157;MM277157;CC1(C)NCC(N)C1(C)C;HEALDDFATUDPQJ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277158;MM277158;CC1(C)NCC(O)C1(C)C;GZJPTXHZBWJRKE-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277159;MM277159;CC1COC(C)(C)C1(C)C;XDQZVOFUQOYRBA-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277160;MM277160;CC1(C)OCC(N)C1(C)C;OFEGWJLOYDZXES-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277161;MM277161;CC1(C)OCC(O)C1(C)C;DJWSVZFAUVIPIW-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277162;MM277162;CN1CCC(C)(C)C1(C)C;ZDBMIFUSCVUSDX-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277163;MM277163;C=C1CCC(C)(C)C1(C)C;GIVLGBISXZITEP-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277164;MM277164;CC1(C)CCC(=O)C1(C)C;FYQSZSZYVKRRGX-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277165;MM277165;C=C1CCC(C)(N)C1(C)C;CVOFVQYQNJCFNS-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277166;MM277166;C=C1CCC(C)(O)C1(C)C;RAGULBUNWKANAU-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277167;MM277167;CC1(O)CCC(=O)C1(C)C;HOKFEKVYYCHCIN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277168;MM277168;CC1(C)CNC(=N)C1(C)C;DCCZVYGXAWZSHK-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277169;MM277169;CC1(C)CNC(=O)C1(C)C;QMZUBYGKCYTKMC-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277170;MM277170;CC1(N)CNC(=N)C1(C)C;JLQOMILMCYKKGT-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277171;MM277171;CC1(N)CNC(=O)C1(C)C;FCKQJKOXVLRQGP-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277172;MM277172;CC1(O)CNC(=N)C1(C)C;PKLRUQFNAYYPMK-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277173;MM277173;CC1(O)CNC(=O)C1(C)C;BGPVLNXTUHAKHA-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277174;MM277174;CC1(F)CNC(=N)C1(C)C;FROZETLVKNRYQR-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277175;MM277175;CC1(C)CNC(=O)C1(C)N;VXDAQYHONMNMKQ-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277176;MM277176;CC1(N)CNC(=O)C1(C)N;KACBIKMGLBNXIM-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277177;MM277177;C=C1OCC(C)(C)C1(C)C;HGRZTCNLEJMVKM-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277178;MM277178;CC1(C)COC(=O)C1(C)C;CKXCKKOKJCBESQ-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277179;MM277179;C=C1OCC(C)(N)C1(C)C;ZOYYKEBIKQRXIK-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277180;MM277180;CC1(N)COC(=O)C1(C)C;OEITVBVJSOIVSZ-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277181;MM277181;C=C1OCC(C)(O)C1(C)C;CXKZSXJDEGLWAP-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277182;MM277182;C=C1OCC(C)(N)C1(C)N;HOKLOGDRUQYLQS-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277183;MM277183;C=C1CNC(C)(C)C1(C)C;CPXGNCGXDCTWGH-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277184;MM277184;CC1(C)NNC(=N)C1(C)C;UWDOQEBJNOCKJG-UHFFFAOYSA-N;141.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277185;MM277185;O=CC=NNCCO;SNNIFQYTLWFIJN-UHFFFAOYSA-N;116.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277186;MM277186;CC1(C)NNC(=N)C1(C)N;UEQPTHJWTOWJSB-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277187;MM277187;C=C1COC(C)(C)C1(C)C;RMPQYKPHEFEXDZ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277188;MM277188;CC1(C)OCC(=O)C1(C)C;BFIAOBMBXFRTJX-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277189;MM277189;CC1(C)ONC(=N)C1(C)C;IRVYSYGJUOSMND-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277190;MM277190;CN1N=CC(C)(C)C1(C)C;UDPDOABWRXIJTK-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277191;MM277191;NC(=O)C=C(N)C(N)=O;KPYHPLMZKVZJII-UHFFFAOYSA-N;129.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277192;MM277192;CN1C=NC(C)(C)C1(C)C;AFNGVFLOJNTWBD-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277193;MM277193;NC(=O)CN=C(N)CF;XEOVUACYXHSZAA-UHFFFAOYSA-N;133.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277194;MM277194;C=C1C=CC(C)(C)C1(C)C;ABHZEWHXWXORPW-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277195;MM277195;CC1(C)C=CC(=O)C1(C)C;FOMWRSGYNRQRAM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277196;MM277196;C=C1C=CC(C)(N)C1(C)C;BIFPBNSMTCTYDK-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277197;MM277197;NC(=O)CN=C(N)C=O;WJZZWXKILXRMHB-UHFFFAOYSA-N;129.12;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277198;MM277198;CC1(O)C=CC(=O)C1(C)C;FTDMZHWYYNJYMR-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277199;MM277199;CC1=CCC(C)(C)C1(C)C;GWVHLHDRJIWDON-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277200;MM277200;CC1(C)CC=C(F)C1(C)C;QSIREORPNPYBQH-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277201;MM277201;CC1=CCC(C)(N)C1(C)C;DXVFLLHPFRLGOU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277202;MM277202;CC1(N)CC=C(F)C1(C)C;SWWXJSOXBDHTFK-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277203;MM277203;C=CC(=O)NCC(C)=O;JTIYHGKVWGMRLH-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277204;MM277204;CC1(O)CC=C(F)C1(C)C;BMSQEOHJXRXSFB-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277205;MM277205;CC1=CCC(C)(F)C1(C)C;PRUBPFCCYSDFJS-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277206;MM277206;CC1(N)CC=C(F)C1(C)N;AWPUUINFHXEGPK-UHFFFAOYSA-N;144.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277207;MM277207;CC1=NNC(C)(C)C1(C)C;HKIXVXHMLVSZIT-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277208;MM277208;CC1=COC(C)(C)C1(C)C;NFIKMTWAFREAPY-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277209;MM277209;CC1(C)OC=C(F)C1(C)C;MTENOKGLIYPSQH-UHFFFAOYSA-N;144.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277210;MM277210;CC1=NOC(C)(C)C1(C)C;GUVKACRNAFGGIZ-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277211;MM277211;CCC(C)(C)C1C(C)C1C;SXJJOXJKWASHLC-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277212;MM277212;CC1C(C)C1C(C)(C)CN;AQBVREOHFCTHMJ-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277213;MM277213;CCC(C)(N)C1C(C)C1C;OJPQNCTYMBVOKJ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277214;MM277214;CC1C(C)C1C(C)(N)CN;VEVXDZZDNQETIU-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277215;MM277215;CC1C(C)C1C(C)(N)CO;CIKUDHMIKHILKF-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277216;MM277216;CN(CCO)N=CCF;OAWFPFQMYJYGKL-UHFFFAOYSA-N;134.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277217;MM277217;CCC(C)(F)C1C(C)C1C;PDCAUXVWXOKQIP-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277218;MM277218;CCC(C)(C)C1C(C)C1N;ZJHWSNQUUZXVAR-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277219;MM277219;CCC(C)(N)C1C(C)C1N;XDCNPIUFUMMHSO-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277220;MM277220;CC1C(N)C1C(C)(N)CF;HZSJKHGNXIADPQ-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277221;MM277221;CCC(C)(O)C1C(C)C1N;ACTPFKQOQGZZPZ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277222;MM277222;CC1C(N)C1C(C)(F)CN;HSQMUFLARNOOSS-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277223;MM277223;COC=NN(C)CCO;QZFNWNFJMVXCKV-UHFFFAOYSA-N;132.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277224;MM277224;CCC(C)(N)C1C(C)C1O;BHNSRFGPVDJWHA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277225;MM277225;CCC(C)(O)C1C(C)C1O;BRQSPYYBFQOLLH-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277226;MM277226;CC1C(O)C1C(C)(O)CN;HUHNQJSQPJGDSG-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277227;MM277227;CCC(C)(F)C1C(C)C1O;PBUVUCHJXMJELO-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277228;MM277228;CCC(C)(C)C1C(C)C1F;LCQSELYTSDLBQU-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277229;MM277229;CCC(C)(N)C1C(C)C1F;BVWUXKSBLJMFIW-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277230;MM277230;CC1C(F)C1C(C)(N)CN;UYPHYVHDHIDCFG-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277231;MM277231;CCC(C)(C)C1C(N)C1N;DMXBGPBWLFIJCX-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277232;MM277232;CC(C)(CN)C1C(N)C1N;PNHBDIUHXQOZLL-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277233;MM277233;CC(C)(CO)C1C(N)C1N;PJZXZUABCGBVQB-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277234;MM277234;CCC(C)(N)C1C(N)C1N;HBSKUYXSZSOXMZ-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277235;MM277235;CC(N)(CF)C1C(N)C1N;FUKUITPLMOWVOL-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277236;MM277236;CC(O)(CO)C1C(N)C1N;LUMOEKCKIGLSRP-UHFFFAOYSA-N;146.19;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277237;MM277237;CCC(C)(F)C1C(N)C1N;PCNINQQFZRIRET-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP3";;;;;;;0.86;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277238;MM277238;CC(F)(CN)C1C(N)C1N;UUHCNWIGMMMFSX-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277239;MM277239;CC(C)(CN)C1C(N)C1O;WWXWMEMTGZBAFJ-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277240;MM277240;CCC(C)(N)C1C(N)C1O;ZLWNZMBQIRRMHT-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277241;MM277241;CCC(C)(C)C1C(N)C1F;MTZUHVZDWPZPFT-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277242;MM277242;CC(N)(CN)C1C(N)C1F;GVOBDKKIMWGVJN-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277243;MM277243;CCC(C)(O)C1C(O)C1O;FVLBRMUCKSBTSA-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277244;MM277244;CCC(C)(C)C1C(O)C1F;XFHGBAFGIVWAFW-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277245;MM277245;CNC(C)(C)C1C(C)C1C;VUFDWOQOGALSIH-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277246;MM277246;CNC(C)(C)C1C(C)C1O;GKUFANIXDMLRFE-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277247;MM277247;CNC(C)(C)C1C(C)C1F;FBVNVSNZPQUYKK-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277248;MM277248;CNC(C)(C)C1C(N)C1N;QNIPMOBBNUPJIH-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277249;MM277249;CNC(C)(C)C1C(N)C1O;WBGCYRFURJZWDF-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277250;MM277250;CNC(C)(C)C1C(N)C1F;WVLNAFYKGPHJOF-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277251;MM277251;COC(C)(C)C1C(C)C1C;TUAKWOGZQXMVEK-UHFFFAOYSA-N;142.24;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277252;MM277252;COC(C)(C)C1C(N)C1O;RLTLOOAMFVYBBG-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277253;MM277253;COC(C)(C)C1C(N)C1F;ZTYXGRGIUAJAMJ-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277254;MM277254;CC1C(C(C)(C)CN)N1C;ZJVMQCKJTDMAHK-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277255;MM277255;CCC(C)(N)C1C(C)N1C;RLDMHQNZADMZMQ-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277256;MM277256;CC1C(C(C)(N)CN)N1C;RDXWANDMERQKEG-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277257;MM277257;CC1C(C(C)(N)CO)N1C;KVZLSBUZYUFFCU-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277258;MM277258;CC1C(C(C)(N)CF)N1C;RZXRRJYLLYQKHS-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277259;MM277259;CCC(C)(F)C1C(C)N1C;IQACZJRDIPIBMT-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277260;MM277260;CC1C(C)N1C(C)(C)CN;VSPGPSWYVXLYKV-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277261;MM277261;C=CC(C)(C)C1C(C)C1C;WQPNIBGWGBUTRT-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277262;MM277262;CC1C(C)C1C(C)(C)C#N;ZXECLHNQXIUHJO-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277263;MM277263;CC1C(C)C1C(C)(O)C#N;BKNAVRISAHPTPY-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277264;MM277264;C=CC(C)(F)C1C(C)C1C;GSOVKOWQJVQPNE-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277265;MM277265;CC1C(C)C1C(C)(F)C#N;XRPZBYVVAWNEBI-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277266;MM277266;C=CC(C)(O)C1C(C)C1N;JWAYKZXLHDIYSG-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277267;MM277267;C=CC(C)(F)C1C(C)C1N;OWCVDYWYCYKOMB-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277268;MM277268;NN(C=NC=O)CCO;ZPMWFHPQKOKBTH-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277269;MM277269;CC1C(O)C1C(C)(C)C#N;IJDIDJLEDZLTKP-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277270;MM277270;C=CC(C)(N)C1C(C)C1O;ABKSIXPDFVPRIA-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277271;MM277271;C=CC(C)(F)C1C(C)C1O;DJEYIBKTCJUBIZ-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277272;MM277272;CC1C(O)C1C(C)(F)C=O;QAXRCSFQNGPVCP-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277273;MM277273;C=CC(C)(C)C1C(N)C1N;VSDSTOOKKPDNJR-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP3";;;;;;;0.86;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277274;MM277274;C=CC(C)(O)C1C(N)C1N;JXVKDYUHSLDSLD-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277275;MM277275;C=CC(C)(F)C1C(N)C1N;SMNFGMDXUMQSGZ-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277276;MM277276;C=CC(C)(C)C1C(N)C1O;AKDRZCFKAYYLQK-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277277;MM277277;C=CC(C)(O)C1C(N)C1O;WTCYZLMZNWIJKF-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277278;MM277278;C=CC(C)(C)C1C(N)C1F;XQNFLTNZTSVGBF-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277279;MM277279;CC(C)(C=O)C1C(O)C1O;GHILSMNVDHTYDB-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277280;MM277280;C=CC(C)(O)C1C(O)C1O;NYTYKKVXHQRENW-UHFFFAOYSA-N;144.17;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277281;MM277281;CC(O)(C=O)C1C(O)C1O;FINXYPVVWKNENS-UHFFFAOYSA-N;146.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277282;MM277282;CC1C(C(C)(C)C=O)N1C;CPDMSSXPLNNANH-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277283;MM277283;CC1C(C(C)(C)C#N)N1C;LHROWFYRUMSDFD-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277284;MM277284;CC1C(C)N1C(C)(C)C=O;RTUNSHJYXFPLKP-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277285;MM277285;CC1C(C)N1C(C)(C)C#N;GLZGLEKPMRANPP-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277286;MM277286;C#CC(C)(C)C1C(C)C1C;BONOUQBNTBFGGD-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277287;MM277287;C#CC(C)(N)C1C(C)C1C;ZLLBFJDATYTSDN-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277288;MM277288;C#CC(C)(F)C1C(C)C1C;RDYMZARTBDDGAO-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277289;MM277289;C#CC(C)(C)C1C(C)C1N;YAYJMNFSIIBYMI-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277290;MM277290;C#CC(C)(N)C1C(C)C1N;HVSKVVINYOCHBJ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277291;MM277291;C#CC(C)(O)C1C(C)C1N;QXAOVVCRUYWRJD-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277292;MM277292;C#CC(C)(F)C1C(C)C1N;XMEHFGPEQYLKNA-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277293;MM277293;C=NN=CN(N)CCO;MSQFMFUXTPTWIR-UHFFFAOYSA-N;130.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277294;MM277294;C#CC(C)(N)C1C(C)C1O;PEBRPUMPQBIXKQ-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277295;MM277295;C#CC(C)(O)C1C(C)C1O;RRHMQKVPJXYCPY-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277296;MM277296;C#CC(C)(C)C1C(N)C1N;QTXMTIPYFOHWJN-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277297;MM277297;C#CC(C)(O)C1C(N)C1N;UZDAMHGIYNLGAD-UHFFFAOYSA-N;140.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277298;MM277298;C#CC(C)(O)C1C(N)C1O;HJXISCACQZOOAU-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277299;MM277299;C#CC(C)(F)C1C(N)C1O;DPDIYDGKRNDPPF-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277300;MM277300;C#CC(C)(F)C1C(N)C1F;NIOTXKZRVUKYOE-UHFFFAOYSA-N;145.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277301;MM277301;C#CC(C)(N)C1C(C)N1C;BLGURKKRRDEEFD-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277302;MM277302;CCC(C)(C)CC1CC1C;VXMMBFASFHCJGH-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277303;MM277303;CC1CC1CC(C)(C)CN;HWYJUUJKJHVPPN-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277304;MM277304;CN(CCO)N=CC=O;SIMSLACDIIJQEJ-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277305;MM277305;CC1CC1CC(C)(C)CF;PILLQMTYJUNXSP-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277306;MM277306;CCC(C)(N)CC1CC1C;JXABVRSBLSHMQM-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277307;MM277307;CC1CC1CC(C)(N)CN;JPZNROYNXTVAIM-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277308;MM277308;CC1CC1CC(C)(N)CO;GTTCBSYNVIKDAJ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277309;MM277309;CC1CC1CC(C)(N)CF;AIBCPPQPRHKSDI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277310;MM277310;NC(C=O)=NNCCO;VIUJHSWLGUVJSJ-UHFFFAOYSA-N;131.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277311;MM277311;CC1CC1CC(C)(O)CN;ZNRSLMLLFUKUPA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277312;MM277312;CC1CC1CC(C)(O)CO;BMMMIXCKHIUSHW-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277313;MM277313;CC1CC1CC(C)(O)CF;QJPFXBRZWAJBFQ-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277314;MM277314;CCC(C)(F)CC1CC1C;HKDUQGONUPCTOA-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277315;MM277315;CC1CC1CC(C)(F)CN;RZIVICVZESILLX-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277316;MM277316;CC1CC1CC(C)(F)CO;FXRTYTLHWWJZQZ-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277317;MM277317;CC1CC1CC(C)(F)CF;OKGMYWMYQJUYRS-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277318;MM277318;CCC(F)(F)CC1CC1C;FCDRUHUSFCBKDV-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277319;MM277319;CC1CC1CC(F)(F)CO;XLTUWOBPYJEVOB-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277320;MM277320;CCC(C)(C)CC1CC1N;YNPJWZFWMHLHCH-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277321;MM277321;CC(C)(CN)CC1CC1N;AHMHRWPWIBMVAL-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277322;MM277322;CC(C)(CO)CC1CC1N;LJIOHAUGEFBDSV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277323;MM277323;CCC(C)(N)CC1CC1N;IXXIKGYUMWBMAE-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277324;MM277324;CC(N)(CN)CC1CC1N;OQBXUEVKSVRJLH-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277325;MM277325;CC(N)(CF)CC1CC1N;CHYUFQVQVDCZTC-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277326;MM277326;CCC(C)(O)CC1CC1N;WKYJNDRNLYETCT-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277327;MM277327;CC(O)(CN)CC1CC1N;BOHTWQISDJDNBV-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277328;MM277328;CC(O)(CO)CC1CC1N;YXYKTMXOMNTIKX-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277329;MM277329;CCC(C)(F)CC1CC1N;JZHGCMHEOWBSRE-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277330;MM277330;CC(F)(CN)CC1CC1N;KVZGISSQCQVCMQ-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277331;MM277331;CCC(F)(F)CC1CC1N;GIDASZJMVXRWTO-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277332;MM277332;C=CCN(N)C(=O)NC;OIGXJOXGSQUUDO-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277333;MM277333;CC(C)(CN)CC1CC1O;NVUHQPARXYCSSG-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277334;MM277334;CCNC(=O)N(N)CC;HVKNOKNFYSKOAP-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277335;MM277335;CCNC(=O)N(C)NC;BTVWQKJAXXSUEE-UHFFFAOYSA-N;131.18;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277336;MM277336;CCC(C)(N)CC1CC1O;AXFFCHQWLWPUAF-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277337;MM277337;CC(N)(CN)CC1CC1O;PCLJAQRJRFFRKR-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277338;MM277338;CC(N)(CO)CC1CC1O;UKRXKSRCCAMAIN-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277339;MM277339;CC(N)(CF)CC1CC1O;DWMNHMRJCNYXOU-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277340;MM277340;CCC(C)(O)CC1CC1O;ZFWWYLJHJBLNST-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277341;MM277341;CC(O)(CN)CC1CC1O;UXSRTPMFFAJLBD-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277342;MM277342;CC(O)(CO)CC1CC1O;CYUMCDDMTXNFML-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277343;MM277343;CCC(C)(F)CC1CC1O;KQRXZHHNLWDCLQ-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277344;MM277344;CC(F)(CN)CC1CC1O;NXHTWBVWQNNYHF-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277345;MM277345;CCC(C)(C)CC1CC1F;DNGTZDQXTLNZSD-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277346;MM277346;CC(C)(CN)CC1CC1F;GEBXYEPTRXYDOI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277347;MM277347;CC=NN(CC)CCO;FYDWOXHLBGLTCO-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277348;MM277348;CC(C)(CF)CC1CC1F;MWRINPXSVWBBDV-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277349;MM277349;CC(N)(CN)CC1CC1F;GFDLAGIEFHBUHH-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277350;MM277350;CC(N)(CO)CC1CC1F;YHCXXPBFXQWZCH-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277351;MM277351;CC(N)(CF)CC1CC1F;HHIISVUBZLLGFD-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277352;MM277352;CCC(C)(O)CC1CC1F;NZXWCOFQYZRCIO-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277353;MM277353;CC(O)(CN)CC1CC1F;PFADGLPUJJYINB-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277354;MM277354;CC(O)(CO)CC1CC1F;TVHVRPFHPVWVOF-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277355;MM277355;CCC(C)(F)CC1CC1F;JNWPFTSPAOVJOA-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277356;MM277356;CC(F)(CN)CC1CC1F;DZBQOOQGXDLQBC-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277357;MM277357;CNC(C)(C)CC1CC1C;SZJKLAGDVMQFPE-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277358;MM277358;CNC(C)(C)CC1CC1N;POFCQAHQYIWYCF-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277359;MM277359;CNC(C)(C)CC1CC1O;FMTAYLFBTHTEMQ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277360;MM277360;COC(C)(C)CC1CC1C;HBDBRJMPERIDTO-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277361;MM277361;CCC(C)(C)NC1CC1C;SYPLLHWIALIDLD-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277362;MM277362;CC1CC1NC(C)(C)CN;GNQDJXWAHSSXKT-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277363;MM277363;CC1CC1NC(C)(C)CO;YAJKFPRXWPSKDK-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277364;MM277364;CC1CC1NC(C)(C)CF;WFAKZKPVHSEKSJ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277365;MM277365;CCC(C)(C)NC1CC1N;FMDONLZUXWPBNR-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277366;MM277366;CC(C)(CN)NC1CC1N;POKKZTJLHOPKIN-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277367;MM277367;CC(C)(CN)NC1CC1O;VPUWAZOMSOSLCB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277368;MM277368;CC(C)(CN)NC1CC1F;LAUXHXIGQNDAGJ-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277369;MM277369;CCC(C)(C)OC1CC1C;MQUCVBNZLOQDIP-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277370;MM277370;CC1CC1OC(C)(C)CN;VQRFAPLOWRRDBQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277371;MM277371;CC1CC1OC(C)(C)CF;NWNXVWPARFKGNF-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277372;MM277372;CCC(C)(C)OC1CC1N;BVVKKSIFXUEZIY-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277373;MM277373;CC(C)(CN)OC1CC1N;SKXQAJBXANCWJT-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277374;MM277374;CC(C)(CO)OC1CC1N;RGCMYDUTLKOJAE-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277375;MM277375;CCC(C)(C)OC1CC1O;MBXNQKDNNHTBON-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277376;MM277376;CC(C)(CO)OC1CC1O;WURHSQYXKOOQLZ-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277377;MM277377;CC(C)(CN)OC1CC1F;OOLUGIOLAXSNAW-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277378;MM277378;CC(C)(CO)OC1CC1F;WLDUOXIUCMXIJY-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277379;MM277379;COC(C)(C)OC1CC1N;HXXRTMHQBISYEK-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277380;MM277380;COC(C)(C)OC1CC1O;DZSZJFWCFBLNCP-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277381;MM277381;CC1NC1CC(C)(C)CN;WJMJIXQMJCJXSB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277382;MM277382;CCC(C)(N)CC1NC1C;IFCQZXKWKIBWGZ-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277383;MM277383;CC1NC1CC(C)(N)CN;BVAVXBNUTBSPIN-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277384;MM277384;CC1NC1CC(C)(O)CN;JWTFTAOATHKFEY-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277385;MM277385;CNC(C)(C)CC1NC1C;DINYULJMHZVIGT-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277386;MM277386;CCC(C)(C)CC1OC1C;SQDCDAVFMIOTAG-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277387;MM277387;CC1OC1CC(C)(C)CN;KFPCGTNYMQVIHN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277388;MM277388;CC1OC1CC(C)(C)CF;ZFLNJBQRSGELIV-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277389;MM277389;CCC(C)(N)CC1OC1C;RCOYJBYAILBLQD-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277390;MM277390;CC1OC1CC(C)(N)CN;JKEVCFCTBNCVGF-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277391;MM277391;CC1OC1CC(C)(N)CO;DZOOCKBYNSQNKH-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277392;MM277392;CC1OC1CC(C)(N)CF;SRVBSWJQOCTVCU-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277393;MM277393;CCC(C)(O)CC1OC1C;PWPMYAHNQJMZGX-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277394;MM277394;CC1OC1CC(C)(O)CN;OIEFPWQJJXDCSH-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277395;MM277395;CC1OC1CC(C)(O)CO;DSRBXJSIYITFKF-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277396;MM277396;CC1OC1CC(C)(O)CF;FLVKPFDXDSOOHH-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277397;MM277397;CCC(C)(F)CC1OC1C;ITWPCSNWUWQQPG-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277398;MM277398;CC1OC1CC(C)(F)CN;OCBHUUGTLOZJSA-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277399;MM277399;CC1OC1CC(C)(F)CO;WGQKZASHBWVVCV-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277400;MM277400;CC1OC1CC(C)(F)CF;NODRRWANGIJNIH-UHFFFAOYSA-N;150.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277401;MM277401;CCC(F)(F)CC1OC1C;SMYGUARCYHPNHO-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277402;MM277402;CNC(C)(C)CC1OC1C;OVELWBXTELMPIS-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277403;MM277403;COC(C)(C)CC1OC1C;QIQFXRMEWAILIA-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277404;MM277404;CN1CC1CC(C)(C)CN;NBELLZVBAGHQPK-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277405;MM277405;CCC(C)(N)CC1CN1C;CRLNDEQCDZCSMF-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277406;MM277406;CN1CC1CC(C)(N)CN;AQFFGGAWUSBTAU-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277407;MM277407;CN1CC1CC(C)(O)CN;VDLFXBOEPOBPNH-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277408;MM277408;CCC(=CCO)C(N)=O;RLGWJNBDYOOPDB-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277409;MM277409;C=NN(CCO)C(C)(C)C;CONJUAOGFYJXGE-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277410;MM277410;C=C(CC(C)O)OC=NN;WZLDACSTHOCOFW-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277411;MM277411;CNC(C)(C)CC1CN1C;BOUWTHPJALFSHZ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277412;MM277412;CC1CN1CC(C)(C)CN;AODFAYIZCWGAFT-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277413;MM277413;CCC(C)(N)CN1CC1C;YSHVHSFRYUMVPF-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277414;MM277414;CC1CN1CC(C)(N)CN;LJPMNBYYCWGQBJ-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277415;MM277415;CC1CN1CC(C)(N)CF;ZPRJDXQUYQSXBJ-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277416;MM277416;CC1CN1CC(C)(O)CN;ZLFXEPNWOOTOFK-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277417;MM277417;CC(F)C=NN(C)CCO;MNYYPGRGTDSGHY-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277418;MM277418;CN(C)N=CN(N)CCO;XAQFBMRJUBJIAH-UHFFFAOYSA-N;146.19;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277419;MM277419;CCC(C)(F)CN1CC1C;OVJNAHNFUHBHCV-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277420;MM277420;CC1CN1CC(C)(F)CN;RAFODRZSBPTEIY-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277421;MM277421;CC(C)N=CN(N)C(N)=O;MHDNSFSHPJRYMM-UHFFFAOYSA-N;144.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277422;MM277422;CC1CN1CC(C)(F)CF;WCGVMXRWAVLPSK-UHFFFAOYSA-N;149.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277423;MM277423;CNC(C)(C)CN1CC1C;OLLBQQBNVSSVCC-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277424;MM277424;C=CC(C)(C)CC1CC1C;KPPXUKJRQSDZPJ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277425;MM277425;CC1CC1CC(C)(C)C=O;KSLKGDRSWMXGIB-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277426;MM277426;CC1CC1CC(C)(C)C#N;BBVXOBGALYEQBC-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277427;MM277427;C=CC(C)(N)CC1CC1C;IHTMJIVDTYMIBQ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277428;MM277428;CN(CCO)CC(=O)C#N;BMPZZYOSAVLVQA-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277429;MM277429;CC1CC1CC(C)(O)C=O;XWNCNWYVOYLFOS-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277430;MM277430;CC1CC1CC(C)(O)C#N;PZEGZAIVUXRHQI-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277431;MM277431;C=CC(C)(F)CC1CC1C;MLOHVLNNRSZBSA-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277432;MM277432;CC1CC1CC(C)(F)C=O;PDLSGWRFGSNOGG-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277433;MM277433;CC1CC1CC(C)(F)C#N;UCXRAEGBKKICJV-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277434;MM277434;C=CC(F)(F)CC1CC1C;ZRGMXVLWLFDTGJ-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277435;MM277435;CC1CC1CC(F)(F)C=O;NZOFLIQBTWPZQX-UHFFFAOYSA-N;148.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277436;MM277436;CC1CC1CC(F)(F)C#N;TXACBEBHNUCBHW-UHFFFAOYSA-N;145.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277437;MM277437;C=CC(C)(C)CC1CC1N;LZKCOHZHYZGNJG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277438;MM277438;C=CC(C)(N)CC1CC1N;UBMMFNPTQDESEM-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277439;MM277439;C=CC(C)(O)CC1CC1N;NPFHJOHIZQQRCT-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277440;MM277440;C=CC(C)(F)CC1CC1N;FSSFKIBSMDSKKT-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277441;MM277441;CN(CCO)N=C(N)C=O;DJNVUBASDZILQO-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277442;MM277442;CC(C)(C#N)CC1CC1O;RDXMIXOPZBHAHK-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277443;MM277443;C=CC(C)(N)CC1CC1O;HGWZIILURBLCKC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277444;MM277444;C=CC(C)(O)CC1CC1O;CSBWLZDGGAALHT-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277445;MM277445;CC(O)(C#N)CC1CC1O;NZZBYVNPKOPYBY-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277446;MM277446;C=CC(C)(F)CC1CC1O;AQCBRGWXGDUAEU-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277447;MM277447;CC(F)(C=O)CC1CC1O;QIRDZRAQVMDMTI-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277448;MM277448;CC(F)(C#N)CC1CC1O;ZZMYCXOITJVKGJ-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277449;MM277449;N#CC(F)(F)CC1CC1O;BMSWKRBHEZNOTD-UHFFFAOYSA-N;147.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277450;MM277450;C=CC(C)(N)CC1CC1F;IGBOYMSAUUVOMN-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277451;MM277451;CC(O)(C=O)CC1CC1F;HOXZPEHIGFJBSH-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277452;MM277452;CC(O)(C#N)CC1CC1F;XYSXAVJDEIIQTJ-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277453;MM277453;C=CC(C)(F)CC1CC1F;OMGIVTHQBCSDJM-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277454;MM277454;CC(F)(C#N)CC1CC1F;MLQAAIMDUPXRPR-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277455;MM277455;C=CC(F)(F)CC1CC1F;WPJDLDOSDBDNCK-UHFFFAOYSA-N;150.14;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277456;MM277456;O=CC(F)(F)CC1CC1F;CIBLEFURCIXCME-UHFFFAOYSA-N;152.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277457;MM277457;C=CC(C)(C)NC1CC1C;FGZLGGWGXKULAI-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277458;MM277458;CC1CC1NC(C)(C)C=O;PPWUDMUOFVRURO-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277459;MM277459;CC1CC1NC(C)(C)C#N;OSHSJWCWVXDRPL-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277460;MM277460;C=CC(C)(C)NC1CC1N;DBBAELCGGNHVGM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP3";;;;;;;0.86;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277461;MM277461;CCC(C)=NN(C)CCO;NHZSDTHOUBFRGZ-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277462;MM277462;CC(C)(C#N)NC1CC1F;ZXZGIYMJTGAGJY-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277463;MM277463;C=CC(C)(C)OC1CC1C;BAEWMKADZZZDLT-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277464;MM277464;CC1CC1OC(C)(C)C=O;WRTWOQMJVVPGIG-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277465;MM277465;CC1CC1OC(C)(C)C#N;AACHZTJUWWTKTQ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277466;MM277466;C=CC(C)(C)OC1CC1N;UKBHAHCIKPVBMK-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277467;MM277467;C=CC(C)(C)OC1CC1O;DCELYUXDHLRZNB-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277468;MM277468;CC(C)(C=O)OC1CC1O;HHBQRLGBUYXLJT-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277469;MM277469;CC(C)(C#N)OC1CC1O;DNLZCCIRHXPVDD-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277470;MM277470;C=CC(C)(C)OC1CC1F;ICTFLRPVKOJEGQ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277471;MM277471;CC(C)(C=O)OC1CC1F;QSEYGEJDTFHVHA-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277472;MM277472;CC(C)(C#N)OC1CC1F;YPEQMWZVGCLDDT-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277473;MM277473;C=CC(C)(N)CC1NC1C;PTQQKSUSNNHQKT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277474;MM277474;CC1NC1CC(F)(F)C#N;RHKKLOUWYVVVHH-UHFFFAOYSA-N;146.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277475;MM277475;C=CC(C)(C)CC1OC1C;PHBIGDGUTZDJNT-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277476;MM277476;CC1OC1CC(C)(C)C=O;SGSLEONGUZFWNU-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277477;MM277477;CC1OC1CC(C)(C)C#N;UMQZURXOMOUWBQ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277478;MM277478;C=CC(C)(N)CC1OC1C;NCUFINFNOOWOCR-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277479;MM277479;C=CC(C)(O)CC1OC1C;ZDCOMVQEPIIRHT-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277480;MM277480;CC1OC1CC(C)(O)C=O;IDMUVCFVHNNRPG-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277481;MM277481;CC1OC1CC(C)(O)C#N;JXOXKXKBGJZXEC-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277482;MM277482;C=CC(C)(F)CC1OC1C;URGRURXGHQGVDM-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277483;MM277483;CC1OC1CC(C)(F)C=O;CMVVHIBSESOPLH-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277484;MM277484;CC1OC1CC(C)(F)C#N;NKUPHIGLWUEYOS-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277485;MM277485;C=CC(F)(F)CC1OC1C;YWJLZSLRGDKSSJ-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277486;MM277486;CC1OC1CC(F)(F)C#N;OUKLUYMEWPRHLD-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277487;MM277487;CN1CC1CC(C)(C)C=O;ORFQRYNJAZSGGE-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277488;MM277488;CN1CC1CC(C)(C)C#N;RMHCLYSCYUPQBP-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277489;MM277489;C=CC(C)(N)CC1CN1C;LSRLUEOGBFLXNV-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277490;MM277490;CC(C#N)=NN(C)CCO;NYKLSVZXZWUPTQ-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277491;MM277491;C#CC(C)=NN(C)CCO;IDLUVNLLTGNFPM-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277492;MM277492;CN1CC1CC(C)(F)C=O;GUIOWMIWWZNHTE-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277493;MM277493;CN1CC1CC(C)(F)C#N;FFAVQTCLISDSAW-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277494;MM277494;CN1CC1CC(F)(F)C#N;ZMVDZQPTOZLSEB-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277495;MM277495;CC1CN1CC(C)(C)C#N;PDVSEYKRXFPPFN-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277496;MM277496;C=CC(C)(N)CN1CC1C;JXGDAGNAUTXSKV-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277497;MM277497;CCN(CCO)N=C(C)C;UZDPIAIHJSSYMF-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277498;MM277498;CC(=O)OC=NNCCO;JGDUNZZFJPHIEO-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277499;MM277499;C=CC(C)(F)CN1CC1C;IMDXERFOLODSNS-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277500;MM277500;CC1CN1CC(C)(F)C=O;IKXLKXLUQQKYNV-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277501;MM277501;CC1CN1CC(C)(F)C#N;CHNNAQAAPFXBQE-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277502;MM277502;CC1CN1CC(F)(F)C#N;RAJUCJPDIQEVCD-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277503;MM277503;C#CC(C)(C)CC1CC1C;QQHCGUJAMBOGQC-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277504;MM277504;C#CC(C)(N)CC1CC1C;RRHRQYAJVGXBLX-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277505;MM277505;C#CC(C)(O)CC1CC1C;HBSLCOBPWVWQBZ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277506;MM277506;C#CC(C)(F)CC1CC1C;RNIKOADWUGWNDX-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277507;MM277507;C#CC(F)(F)CC1CC1C;ZUCFVWBBESCCRI-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277508;MM277508;C#CC(C)(C)CC1CC1N;ILOFHAANRLKCQI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277509;MM277509;C#CC(C)(N)CC1CC1N;SQRQDGWKAPGFDC-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277510;MM277510;C#CC(C)(F)CC1CC1N;UZWAZNYBVFTSAB-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277511;MM277511;C#CC(F)(F)CC1CC1N;MLDZCXQOTHESST-UHFFFAOYSA-N;145.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277512;MM277512;C=NNC=NN(C)CCO;XRVXYQHHGXXLJP-UHFFFAOYSA-N;144.18;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277513;MM277513;C#CC(C)(N)CC1CC1O;DNNOAHAXQSEWRS-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277514;MM277514;C#CC(C)(F)CC1CC1O;KEXZXLRWMHSWFN-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277515;MM277515;C#CC(F)(F)CC1CC1O;LRHCYKFUCIEKAS-UHFFFAOYSA-N;146.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277516;MM277516;C#CC(C)(N)CC1CC1F;SJRVSHITRNNFPM-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277517;MM277517;C#CC(C)(O)CC1CC1F;OGXDUQUPACFIAG-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277518;MM277518;C#CC(C)(F)CC1CC1F;MFIXYWPBVUZPRH-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277519;MM277519;C#CC(F)(F)CC1CC1F;QMJGRPSTLIVGAP-UHFFFAOYSA-N;148.13;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277520;MM277520;C#CC(C)(C)NC1CC1C;LRHQRTSWKDNMPC-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277521;MM277521;C#CC(C)(C)NC1CC1N;BZDCVYDRTMOPOC-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277522;MM277522;C#CC(C)(C)NC1CC1O;AUWYGEYRQHEVTJ-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277523;MM277523;C#CC(C)(C)OC1CC1C;PKBXKHVDHJKXET-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277524;MM277524;C#CC(C)(C)OC1CC1N;IEADNDJJGKKJBQ-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277525;MM277525;C#CC(C)(C)OC1CC1O;JXNUXTMQGTYYDK-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277526;MM277526;C#CC(C)(C)OC1CC1F;VVOYUQHNWPIZFS-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277527;MM277527;C#CC(C)(N)CC1NC1C;YWZJGTJUMXTZFY-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277528;MM277528;C#CC(C)(C)CC1OC1C;IUMUDNRBNXHVOW-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277529;MM277529;C#CC(C)(N)CC1OC1C;FDXYPOJOVHKPIG-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277530;MM277530;C#CC(C)(O)CC1OC1C;XUKRHVXZBQEZPN-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277531;MM277531;C#CC(C)(F)CC1OC1C;BOGWGVUFGJHTOX-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277532;MM277532;C#CC(F)(F)CC1OC1C;YKTLMDOPSFXICU-UHFFFAOYSA-N;146.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277533;MM277533;C#CC(C)(N)CC1CN1C;OJYJEMHUAURHEX-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277534;MM277534;C=NOC(=O)OC=CCO;QXAQHQRKROYTGL-UHFFFAOYSA-N;145.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277535;MM277535;C#CC(C)(F)CC1CN1C;IYJXIIUWJDHDHT-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277536;MM277536;C#CC(C)(N)CN1CC1C;FUIZJOHPLWYVSM-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277537;MM277537;COCC=NN(C)CCO;HOPYCCITVAOZRF-UHFFFAOYSA-N;146.19;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277538;MM277538;C#CC(C)(F)CN1CC1C;WEKOEDDXRGTWOJ-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277539;MM277539;C#CC(F)(F)CN1CC1C;PJYVEZRBKKRUQA-UHFFFAOYSA-N;145.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277540;MM277540;CNC(C)(C)C1(C)NC1C;JKNGZAZDVNQOSB-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277541;MM277541;CCC1(C)CC(C(C)C)C1;BIIKFPUZBLPYNK-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277542;MM277542;CC(C)C1CC(C)(CN)C1;WDTUEUOVPXCHQW-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277543;MM277543;CC(C)C1CC(C)(CF)C1;CJMRMRNZEJKESJ-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277544;MM277544;CC(N)C1CC(C)(CN)C1;UIMMTCICYWKXPD-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277545;MM277545;CC(N)C1CC(C)(CO)C1;ZNZXQZRYHBIJSM-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277546;MM277546;CC(N)C1CC(C)(CF)C1;WMEAGPXCULTMPY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277547;MM277547;CCOC=NN(C)CCO;HXIHUPQEVMPXKA-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277548;MM277548;CC(O)C1CC(C)(CN)C1;JTDRRFDHMYIFPT-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277549;MM277549;NN(C=NOC=O)CCO;AMBRVRVBZFTWOE-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277550;MM277550;CCC1(C)CC(C(C)F)C1;YSGUROWIRVBFRK-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277551;MM277551;CC(F)C1CC(C)(CN)C1;ZSTHDZWTJCOPSB-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277552;MM277552;CCC1(N)CC(C(C)C)C1;FRGLIMJSQUOOKA-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277553;MM277553;CC(C)C1CC(N)(CN)C1;AHUWMESUCXQXGT-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277554;MM277554;CC(C)C1CC(N)(CO)C1;DXYZVKWGTCQVSL-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277555;MM277555;CC(C)C1CC(N)(CF)C1;SRZJLCABLGKOAG-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277556;MM277556;CCC1(N)CC(C(C)N)C1;DSCTYKUVHZTCPE-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277557;MM277557;CCC1(N)CC(C(C)O)C1;PYQVBSFRDZLWOZ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277558;MM277558;CC(O)C1CC(N)(CN)C1;CJLHLCKEWSHWGP-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277559;MM277559;CC(O)C1CC(N)(CO)C1;HMHKWLGKXHHPIE-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277560;MM277560;CCC1(N)CC(C(C)F)C1;MFQHUJCWSTYQTC-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277561;MM277561;CN(CCO)N=COC=O;MEHFDNKHEYQVMH-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277562;MM277562;CC(C)C1CC(O)(CN)C1;AOFDLFQMBUYWQO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277563;MM277563;CC(C)C1CC(O)(CO)C1;SKMOGVVURCLDCJ-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277564;MM277564;CC(C)C1CC(O)(CF)C1;XGOKOEUJNZLBMM-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277565;MM277565;CCC1(O)CC(C(C)N)C1;WTZJDIZKUJNAMG-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277566;MM277566;CC(N)C1CC(O)(CN)C1;GVYBPNWXOIUIKN-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277567;MM277567;CC(N)C1CC(O)(CF)C1;MFZLPRVQNXUTLC-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277568;MM277568;CCC1(O)CC(C(C)O)C1;MRWUWZWUHIJDSX-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277569;MM277569;CC(O)C1CC(O)(CN)C1;WLSTVGHBEIQDTO-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277570;MM277570;CC(O)C1CC(O)(CO)C1;AVAAHDVRFGQVNK-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277571;MM277571;CCC1(F)CC(C(C)C)C1;DKHPEFSFNKHFJP-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277572;MM277572;CC(C)C1CC(F)(CN)C1;ROJXPUFBSVJQPF-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277573;MM277573;CCC1(F)CC(C(C)N)C1;PWHSSCAMAFZDGV-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277574;MM277574;CC(N)C1CC(F)(CN)C1;NIUXBXATKDZIOL-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277575;MM277575;CC(N)C1CC(F)(CO)C1;RRZXXBJAWVMDBA-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277576;MM277576;CC(O)C1CC(F)(CO)C1;MDEZUGOLXKAUKX-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277577;MM277577;CNC1(C)CC(C(C)C)C1;SKHZKMIXUPHRBV-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277578;MM277578;CNC1(C)CC(C(C)N)C1;YPQVLNYMTSAGCP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277579;MM277579;CNC1(C)CC(C(C)O)C1;QHUFYHZRYYLXBD-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277580;MM277580;CNC1(C)CC(C(C)F)C1;SAKCWIXWIPGVQG-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277581;MM277581;COC1(C)CC(C(C)C)C1;HSNYRYDLULWWDX-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277582;MM277582;COC1(C)CC(C(C)N)C1;AGWIJLBFCQRQBQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277583;MM277583;COC1(C)CC(C(C)O)C1;QQBHCDIHRRZBEB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277584;MM277584;CCC1(C)CC(C(C)C)N1;XWVWDTYVZNOIJL-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277585;MM277585;CC(C)C1CC(C)(CO)N1;DMOOYQYERXSYAW-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277586;MM277586;CC(C)C1CC(C)(CF)N1;KNZYNBNBPSTBBJ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277587;MM277587;CCC1(C)CC(C(C)N)N1;YAWZAGVQLSBXLG-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277588;MM277588;CC(N)C1CC(C)(CN)N1;IAFMJNGFGURLHK-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277589;MM277589;CCC1(C)CC(C(C)O)N1;GSFLMUPTLBYAID-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277590;MM277590;CC(O)C1CC(C)(CN)N1;DNLUXLKLIXHWSC-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277591;MM277591;CC(O)C1CC(C)(CO)N1;QECSTAPYMJNWIF-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277592;MM277592;CCC1(C)CC(C(C)F)N1;SBXSMERPIYVSJL-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277593;MM277593;CC(C)C1CC(C)(CN)O1;CWMPOILXRFIHMZ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277594;MM277594;CC(C)C1CC(C)(CO)O1;LBMRHDQUBRJZGC-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277595;MM277595;CCC1(C)CC(N(C)C)C1;VNCKMXLBOMOEIH-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277596;MM277596;CN(C)C1CC(C)(CN)C1;MYTIIGUINSIQLY-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277597;MM277597;CCC1(N)CC(N(C)C)C1;ZJJSPVIHWNGTTB-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277598;MM277598;CN(C)C1CC(N)(CN)C1;DSZSTDCXSNMADY-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277599;MM277599;CCC1(O)CC(N(C)C)C1;DHLYZUJFVYOUCZ-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277600;MM277600;CCC1(F)CC(N(C)C)C1;DOVJCWPRHYJEOI-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277601;MM277601;CN(C)C1CC(F)(CO)C1;WLEYATFIOIQEFT-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277602;MM277602;CNC1(C)CC(N(C)C)C1;FAODVQLVNRFFBU-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277603;MM277603;COC1(C)CC(N(C)C)C1;GTTSUSPYSWZQGA-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277604;MM277604;CCC1(C)CN(C(C)C)C1;FPPKYOACLFMABH-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277605;MM277605;CC(C)N1CC(C)(CN)C1;HPDADZLRNXYLQZ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277606;MM277606;CC(C)N1CC(C)(CF)C1;NPWUJCBBFGBPTP-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277607;MM277607;CCC1(N)CN(C(C)C)C1;HPPVUXSRJLOTNE-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277608;MM277608;CC(C)N1CC(N)(CN)C1;RTLVOYCVSLWHTC-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277609;MM277609;CC(C)N1CC(N)(CO)C1;CLHRHJFRWXCYSN-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277610;MM277610;CC(C)N1CC(O)(CN)C1;YHICARGDXSMYFI-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277611;MM277611;CC(C)N1CC(F)(CN)C1;WIXOHWPEKREPDS-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277612;MM277612;CC(C)N1CC(F)(CF)C1;PRHGAHLLTKQOGP-UHFFFAOYSA-N;149.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277613;MM277613;CNC1(C)CN(C(C)C)C1;IVCLCILOIMNGNJ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277614;MM277614;C=CC1(C)CC(C(C)C)C1;WNWDZVRIGINOJN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277615;MM277615;CC(C)C1CC(C)(C=O)C1;VEXPNMZNPZQZFV-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277616;MM277616;CC(C)C1CC(C)(C#N)C1;LFGHLQNTKHCRLI-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277617;MM277617;C=CC1(C)CC(C(C)N)C1;IUJQMBDFXQAHMM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277618;MM277618;C=CC1(N)CC(C(C)C)C1;XSJRKNMJYDMLMW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277619;MM277619;C=CC1(N)CC(C(C)N)C1;UTKHIALUESPUPA-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277620;MM277620;CN=CN=CN(N)CCO;ILNFQGCWNXQXHG-UHFFFAOYSA-N;144.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277621;MM277621;CC(C)C1CC(O)(C=O)C1;KMUMOLMIXDLMCQ-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277622;MM277622;CC(C)C1CC(O)(C#N)C1;HZXGPOQILJAMJP-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277623;MM277623;C=CC1(O)CC(C(C)N)C1;GLGHZHUXGWARNN-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277624;MM277624;CC(O)C1CC(O)(C=O)C1;QPCYTHDDOYDKFW-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277625;MM277625;C=CC1(F)CC(C(C)C)C1;TVWCNYAVDJLYED-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277626;MM277626;CC(C)C1CC(F)(C=O)C1;GWEOTKPBYBRYQQ-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277627;MM277627;CC(C)C1CC(F)(C#N)C1;DOKDNQCKUKVDRG-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277628;MM277628;C=CC1(F)CC(C(C)N)C1;DGGNVCDQEJKAJC-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277629;MM277629;CC(F)C1CC(F)(C#N)C1;KGKGGNAIIGWJGE-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277630;MM277630;C=CC1(C)CC(C(C)C)N1;VUIVJHICKPPJPL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277631;MM277631;CC(C)C1CC(C)(C=O)N1;LZYKFKOHZPWDQH-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277632;MM277632;C=CC1(C)CC(C(C)N)N1;TUMRJFOCEGFLOD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277633;MM277633;C=CC1(C)CC(C(C)O)N1;NVBYHLQZJPFJJU-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277634;MM277634;C=CC1(C)CC(C(C)C)O1;OKIKMDMQWOELKU-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277635;MM277635;CC(C)C1CC(C)(C=O)O1;DVZZXVKPIMDPDO-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277636;MM277636;CC(C)C1CC(C)(C#N)O1;BPDFQRKEIFKMRH-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277637;MM277637;C=CC1(C)CC(N(C)C)C1;FVDABKFZIKZRDP-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277638;MM277638;CN(C)C1CC(C)(C#N)C1;PIUNZIKMINYFIF-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277639;MM277639;C=CC1(N)CC(N(C)C)C1;BHCDMQDKMZVTNC-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277640;MM277640;C=CC1(O)CC(N(C)C)C1;LGFDCIYMXUEEJB-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277641;MM277641;C=CC1(F)CC(N(C)C)C1;PAUKYCLLNZYJEP-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277642;MM277642;C=CC1(C)CN(C(C)C)C1;YIYYJUIVXHCUJC-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277643;MM277643;CC(C)N1CC(C)(C#N)C1;PFYZYAYNPBMIPC-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277644;MM277644;C=CC1(N)CN(C(C)C)C1;XFFAXAGPZQJXJZ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277645;MM277645;NN=CN=CN(N)CCO;AEIHYIYIOGCFGN-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277646;MM277646;CC=CC=NN(C)CCO;BNPHPZHVGMNHOO-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277647;MM277647;C=CC1(F)CN(C(C)C)C1;IKLHALDUJCBJEW-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277648;MM277648;CC(C)N1CC(F)(C=O)C1;TZYZEKILLVOHCR-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277649;MM277649;CC(C)N1CC(F)(C#N)C1;KINCLRGFDUJDAN-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277650;MM277650;C#CC1(C)CC(C(C)C)C1;BPJOLYQAAYSMOR-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277651;MM277651;C#CC1(C)CC(C(C)N)C1;VYRWUVXRTGFGOJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277652;MM277652;C#CC1(C)CC(C(C)F)C1;DTDALFPOPZSHMM-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277653;MM277653;C#CC1(N)CC(C(C)C)C1;JDDWTQOUYGSBOX-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277654;MM277654;C#CC1(N)CC(C(C)N)C1;IJNIEUSWTNJXBQ-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277655;MM277655;C#CC1(N)CC(C(C)F)C1;IDOKWEQIETXMEH-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277656;MM277656;C#CC1(O)CC(C(C)C)C1;CZCCCPWHEHMJMD-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277657;MM277657;C#CC1(F)CC(C(C)C)C1;VPUZVZGRYJJVIE-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277658;MM277658;C#CC1(F)CC(C(C)N)C1;WYLKFPYGHCMLEZ-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277659;MM277659;C#CC1(F)CC(C(C)F)C1;NJSCYDRUPZEDGC-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277660;MM277660;C#CC1(C)CC(C(C)C)N1;BYSZGACCULPELZ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277661;MM277661;C#CC1(C)CC(C(C)N)N1;CFMZJDCKZYDODU-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277662;MM277662;C#CC1(C)CC(C(C)C)O1;HTVTYOLVNBMXDD-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277663;MM277663;C#CC1(C)CC(C(C)N)O1;QUVYELLWQLOOKK-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277664;MM277664;C#CC1(C)CC(N(C)C)C1;AIQWOSJKHFBIRV-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277665;MM277665;C#CC1(N)CC(N(C)C)C1;IBQCULFOMVEDAV-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277666;MM277666;C#CC1(F)CC(N(C)C)C1;ORQUXGUABQPCRO-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277667;MM277667;C#CC1(C)CN(C(C)C)C1;VJZNUXQYUQKJFJ-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277668;MM277668;C#CC1(F)CN(C(C)C)C1;KTZZYYUJHFIELL-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277669;MM277669;C=C(C)C1CC(C)(CC)C1;AJAKDSHIPDXKEG-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277670;MM277670;C=C(C)C1CC(C)(CN)C1;SGUMOUUFWLJXMO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277671;MM277671;CN(CCO)N=CC=CF;SKTKTMVUZMHQQM-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277672;MM277672;C=C(C)C1CC(C)(CF)C1;LZJJVMGHTBREFR-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277673;MM277673;CC(=O)C1CC(C)(CF)C1;SRPBAMGVGJJHLK-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277674;MM277674;CCC1(C)CC(C(=N)N)C1;ZLIQJKMREMSHRC-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277675;MM277675;CC1(CN)CC(C(=N)N)C1;FKDADVUEEBQOIK-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277676;MM277676;CC1(CO)CC(C(=N)N)C1;QZGPQPFKSDPDQK-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277677;MM277677;CC1(CF)CC(C(=N)N)C1;QJYAMQOHEVYOLJ-UHFFFAOYSA-N;144.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277678;MM277678;C=C(C)C1CC(N)(CC)C1;XNBGKCDKQCMFKW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277679;MM277679;C=C(C)C1CC(N)(CN)C1;JMJXBMWKXVIARO-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277680;MM277680;C=C(C)C1CC(N)(CO)C1;YTQJNWMSCFYUNB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277681;MM277681;CCC1(N)CC(C(=N)N)C1;IVKBHXJTIPTHAJ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277682;MM277682;N=C(N)C1CC(N)(CN)C1;CWLNRQNBMQARFI-UHFFFAOYSA-N;142.21;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277683;MM277683;N=C(N)C1CC(N)(CF)C1;QEQLPFLHWVZMMC-UHFFFAOYSA-N;145.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277684;MM277684;CC#CC=NN(C)CCO;ZPAKASZELXHRGH-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277685;MM277685;C=C(C)C1CC(O)(CN)C1;FFGBIRMWJLTOLS-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277686;MM277686;C=C(C)C1CC(O)(CO)C1;ZLMIBYNHKXRNQH-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277687;MM277687;C=C(C)C1CC(O)(CF)C1;HGPLUICOKYZSFE-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277688;MM277688;CCC1(O)CC(C(C)=O)C1;JJWUXHQXCNKUDV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277689;MM277689;CC(=O)C1CC(O)(CO)C1;OYDYTWJYFSEJDZ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277690;MM277690;CCC1(O)CC(C(=N)N)C1;MULXBQYFSGODDI-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277691;MM277691;N=C(N)C1CC(O)(CO)C1;CXAUVEDUXQJBPR-UHFFFAOYSA-N;144.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277692;MM277692;N=C(N)C1CC(O)(CF)C1;XHOPSFAXYJIUFI-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277693;MM277693;C=C(C)C1CC(F)(CC)C1;MEJDQKIQEXQGRH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277694;MM277694;C=C(C)C1CC(F)(CN)C1;RSWDAGBINKTAEN-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277695;MM277695;C=C(C)C1CC(F)(CO)C1;OSAAUTQBKVMVQM-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277696;MM277696;C=C(C)C1CC(F)(CF)C1;NDUQELQGIPDPPF-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277697;MM277697;CCC1(F)CC(C(C)=O)C1;IZHFPPALPOVACN-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277698;MM277698;CC(=O)C1CC(F)(CF)C1;CQXHETIRIZYOEE-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277699;MM277699;N=C(N)C1CC(F)(CN)C1;YHQXMVWMVIBVSA-UHFFFAOYSA-N;145.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277700;MM277700;N=C(N)C1CC(F)(CO)C1;QLJXZLJYVNNBCJ-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277701;MM277701;N=C(N)C1CC(F)(CF)C1;FPDRCXNDWWGOEP-UHFFFAOYSA-N;148.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277702;MM277702;NCC1(F)CC(C(N)=O)C1;REGHGEOPMVWOOS-UHFFFAOYSA-N;146.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277703;MM277703;CC#Cc1noc(O)c1C;TZUVXDIGYDAPAD-UHFFFAOYSA-N;137.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277704;MM277704;C=C(F)C1CC(F)(CC)C1;KHQOQZGCIGAWFM-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277705;MM277705;C=C(F)C1CC(F)(CO)C1;MAOADTRGMXGILW-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277706;MM277706;C=C(C)C1CC(C)(NC)C1;FTGXQESZWZREHC-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277707;MM277707;CNC1(C)CC(C(C)=O)C1;HRSRXPDMPDMOBP-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277708;MM277708;CNC1(C)CC(C(=N)N)C1;PDEPTEPFVUSQEE-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277709;MM277709;C=C(C)C1CC(C)(OC)C1;QXQXQVLOIHDQKS-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277710;MM277710;COC1(C)CC(C(=N)N)C1;CVVNLZPDPHFGDT-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277711;MM277711;C=C(C)C1CC(C)(CC)N1;DCNOKDNOOGNJGL-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277712;MM277712;C=C(C)C1CC(C)(CN)N1;NGSDGOMRELZLJL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277713;MM277713;C=C(C)C1CC(C)(CO)N1;HIGIDCQFWCMXPB-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277714;MM277714;C=C(C)C1CC(C)(CF)N1;YMWJMGFFIHRMGG-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277715;MM277715;CCC1(C)CC(C(=N)N)N1;FATAUTITUATWEL-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277716;MM277716;CC1(CO)CC(C(=N)N)N1;NUMVKZNEANBGCC-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277717;MM277717;C=C(C)C1CC(C)(CC)O1;IDQYTCVTKKFTLJ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277718;MM277718;C=C(C)C1CC(C)(CN)O1;DJOVOFWQYIYOSR-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277719;MM277719;C=C(C)C1CC(C)(CO)O1;DKGRVPZCZKDWHN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277720;MM277720;C=C(C)C1CC(C)(CF)O1;FNZTZPUZUDYPSI-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277721;MM277721;CCC1(C)CC(C(=N)N)O1;IYOKACHHSBUQDO-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277722;MM277722;CCC1(C)CN(C(C)=N)C1;OEXDCUYBEXODSS-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277723;MM277723;CC(=N)N1CC(C)(CN)C1;GSSHDKBYGUFRAT-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277724;MM277724;CC(=N)N1CC(C)(CO)C1;HQGHNJUUNHYTEH-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277725;MM277725;CC(=N)N1CC(C)(CF)C1;ZDDWECURAMZNIW-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277726;MM277726;CCC1(C)CN(C(C)=O)C1;BMTATADRAGNJHW-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277727;MM277727;CC(=O)N1CC(C)(CN)C1;OZFBNVJAVKTCDW-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277728;MM277728;CC(=O)N1CC(C)(CO)C1;NJHCSUSPNLYRPI-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277729;MM277729;CCC1(C)CN(C(=N)N)C1;IOVQCCLDXAQISA-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277730;MM277730;CC1(CN)CN(C(=N)N)C1;CKJDLQLOKXMCPR-UHFFFAOYSA-N;142.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277731;MM277731;CC1(CO)CN(C(=N)N)C1;GBXJIQRIOMDVTF-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277732;MM277732;C=NOCOC(C)=CCO;OPEDTNXNNCDNFF-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277733;MM277733;CC1(CN)CN(C(N)=O)C1;LUEZVHUNVMCEAJ-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277734;MM277734;CC1(CO)CN(C(N)=O)C1;DRKLJUKGEWXEPT-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277735;MM277735;CCC1(N)CN(C(C)=N)C1;JZVXXHRNATXKGE-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277736;MM277736;CC(=N)N1CC(N)(CN)C1;ALSVJDVACHTWKA-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277737;MM277737;CC(=N)N1CC(N)(CO)C1;BKVHLFWXWQESOK-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277738;MM277738;CC(=N)N1CC(N)(CF)C1;RIQVEDWFNRXATM-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277739;MM277739;CCC1(N)CN(C(C)=O)C1;MJGJISXFJXQHSF-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277740;MM277740;CC(=O)N1CC(N)(CN)C1;XOTZHTHKCJSUAG-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277741;MM277741;CC(=O)N1CC(N)(CO)C1;JTWAOTITQFXDND-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277742;MM277742;CCC1(N)CN(C(=N)N)C1;FWOMZEDGKLNMDL-UHFFFAOYSA-N;142.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277743;MM277743;N=C(N)N1CC(N)(CN)C1;AYJSQJRXWDSGOS-UHFFFAOYSA-N;143.19;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277744;MM277744;N=C(N)N1CC(N)(CO)C1;JTWZBAQVBMWOPW-UHFFFAOYSA-N;144.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277745;MM277745;CCC1(N)CN(C(N)=O)C1;JRJDGMNNUAWGOL-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277746;MM277746;NCC1(N)CN(C(N)=O)C1;LXMTWFUWFZUUTN-UHFFFAOYSA-N;144.18;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277747;MM277747;NC(=O)N1CC(N)(CO)C1;WYYHVDXNGQTCHD-UHFFFAOYSA-N;145.16;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277748;MM277748;CCC1(O)CN(C(C)=N)C1;DRDPQDNKAJUVDA-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277749;MM277749;CC(=N)N1CC(O)(CN)C1;BWLYVWYFMMTULK-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277750;MM277750;CC(=N)N1CC(O)(CO)C1;VSRSZGZLSXCZCY-UHFFFAOYSA-N;144.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277751;MM277751;CC(=N)N1CC(O)(CF)C1;UKPANGICYABGBS-UHFFFAOYSA-N;146.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277752;MM277752;CCC1(O)CN(C(C)=O)C1;SQWKOKHWUCOTFT-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277753;MM277753;CC(=O)N1CC(O)(CN)C1;WCIHKVLPNVLIKR-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277754;MM277754;CC(=O)N1CC(O)(CO)C1;AVXMKKDMXXBZSM-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277755;MM277755;CC(=O)N1CC(O)(CF)C1;HIIINIJQKQEPDK-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277756;MM277756;CCC1(O)CN(C(=N)N)C1;NFNSEZFPMGFAKN-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277757;MM277757;N=C(N)N1CC(O)(CN)C1;CCAKBYJOQPRFRY-UHFFFAOYSA-N;144.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277758;MM277758;N=C(N)N1CC(O)(CO)C1;MGMIHJPDXVTCHC-UHFFFAOYSA-N;145.16;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277759;MM277759;N=C(N)N1CC(O)(CF)C1;CCMSNGAVJYWOHZ-UHFFFAOYSA-N;147.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277760;MM277760;CCC1(O)CN(C(N)=O)C1;LYVSTJUCLSVNDJ-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277761;MM277761;NCC1(O)CN(C(N)=O)C1;KOEMBWRMXZIHGH-UHFFFAOYSA-N;145.16;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277762;MM277762;NC(=O)N1CC(O)(CO)C1;HZXMLUJNIYFGTN-UHFFFAOYSA-N;146.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277763;MM277763;CCC1(F)CN(C(C)=N)C1;ZOALHQHUWMKSKJ-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277764;MM277764;CC(=N)N1CC(F)(CN)C1;DUEPIBVYJYBJJE-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277765;MM277765;CC(=N)N1CC(F)(CO)C1;VHJOGMPAPCTNJQ-UHFFFAOYSA-N;146.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277766;MM277766;CCC1(F)CN(C(C)=O)C1;VMSFFESUTGGRFX-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277767;MM277767;CC(=O)N1CC(F)(CN)C1;XLURNSFFQKFTFS-UHFFFAOYSA-N;146.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277768;MM277768;CC(=O)N1CC(F)(CO)C1;HPUWOBRPEGKFNT-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277769;MM277769;CCC1(F)CN(C(=N)N)C1;IBNPPLACTLMDCW-UHFFFAOYSA-N;145.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277770;MM277770;N=C(N)N1CC(F)(CN)C1;HPVWFCNWHUJBIS-UHFFFAOYSA-N;146.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277771;MM277771;N=C(N)N1CC(F)(CO)C1;ZDVVSPGTJABLFT-UHFFFAOYSA-N;147.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277772;MM277772;N=C(N)N1CC(F)(CF)C1;REHAUVUOOBGSAS-UHFFFAOYSA-N;149.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277773;MM277773;CCC1(F)CN(C(N)=O)C1;QAAWBMDSDHCEKD-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277774;MM277774;NCC1(F)CN(C(N)=O)C1;RKULODQZSBFLFM-UHFFFAOYSA-N;147.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277775;MM277775;NC(=O)N1CC(F)(CO)C1;MGZJSUYUYBNPBF-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277776;MM277776;CNC1(C)CN(C(C)=N)C1;XLZKJQICMPQEPT-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277777;MM277777;CNC1(C)CN(C(C)=O)C1;ZIPYGPKAXLJGJN-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277778;MM277778;CNC1(C)CN(C(=N)N)C1;YEBZEDGOTPCWFY-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277779;MM277779;CNC1(C)CN(C(N)=O)C1;NQHFTZYHELLCLF-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277780;MM277780;COC1(C)CN(C(C)=N)C1;IPZDXGAXAYWAGR-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277781;MM277781;COC1(C)CN(C(C)=O)C1;MUQIFFSRPGZOAF-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277782;MM277782;COC1(C)CN(C(=N)N)C1;KADNBDAAFUIZKM-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277783;MM277783;COC1(C)CN(C(N)=O)C1;CWZXIOOXCJVENL-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277784;MM277784;C=CC1(C)CC(C(=C)C)C1;HSRNPTNZESBSBE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277785;MM277785;C=C(C)C1CC(C)(C=O)C1;CINIBVPCJYGSBI-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277786;MM277786;C=C(C)C1CC(C)(C#N)C1;PAFDGJBSNMYBPT-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277787;MM277787;C=CC1(C)CC(C(C)=O)C1;HGIBWXWXDKKIOX-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277788;MM277788;CC(=O)C1CC(C)(C#N)C1;HMYPDWLXZYODDQ-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277789;MM277789;CC1(C=O)CC(C(=N)N)C1;CLGCPJGDSBTMEF-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277790;MM277790;CC1(C#N)CC(C(=N)N)C1;HAHQNBSLJVAKDO-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277791;MM277791;C=CC1(N)CC(C(=C)C)C1;FXTAGEQJBKBLJI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277792;MM277792;CC(=CCO)OCC=NN;KKHVNIQRQWOOHJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277793;MM277793;C=C(C)C1CC(O)(C=O)C1;PCOZQWLVGTZZOL-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277794;MM277794;C=C(C)C1CC(O)(C#N)C1;LWDUSRLLQGSJBE-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277795;MM277795;C=CC1(O)CC(C(C)=O)C1;RHQSSIUAXUUBLF-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277796;MM277796;C=CC1(O)CC(C(=N)N)C1;QQOYTJUXXTWTBC-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277797;MM277797;N=C(N)C1CC(O)(C=O)C1;PAKNBEGWZFZTJL-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277798;MM277798;N#CC1(O)CC(C(=N)N)C1;YBHJNIASPHOQKF-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277799;MM277799;C=CC1(F)CC(C(=C)C)C1;VAMBUZJEKSWCOK-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277800;MM277800;C=C(C)C1CC(F)(C=O)C1;FCBAQPYKBNWGEL-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277801;MM277801;C=C(C)C1CC(F)(C#N)C1;XZONBFJNSSDKDM-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277802;MM277802;CC(=O)C1CC(F)(C=O)C1;TWXYPYLFLQRGTL-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277803;MM277803;CC(=O)C1CC(F)(C#N)C1;NVAYFARITWFUCJ-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277804;MM277804;C=CC1(F)CC(C(=N)N)C1;VLEOWHVXNXAOCZ-UHFFFAOYSA-N;142.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277805;MM277805;N=C(N)C1CC(F)(C=O)C1;XKWGZCHMUFIAPV-UHFFFAOYSA-N;144.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277806;MM277806;N#CC1(F)CC(C(=N)N)C1;SHTMZZVJJIWDLA-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277807;MM277807;C=CC1(F)CC(C(N)=O)C1;ZZSCLALBCKCLSR-UHFFFAOYSA-N;143.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277808;MM277808;N#CC1(F)CC(C(N)=O)C1;BXJIPPUTQLHXMG-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277809;MM277809;C=CC1(F)CC(C(=O)O)C1;MEJWXVDEVODHIE-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277810;MM277810;N#CC(O)C(CC=O)=NO;XOSHUZZVJZKBGK-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277811;MM277811;N#CC1(F)CC(C(=O)O)C1;OBWFMCVDZGGJNO-UHFFFAOYSA-N;143.12;0.71;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277812;MM277812;C=CC1(F)CC(C(=C)F)C1;DZQNPGALPDGSHV-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277813;MM277813;C=C(F)C1CC(F)(C=O)C1;QDLPTSRBCZPAQB-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277814;MM277814;C=C(F)C1CC(F)(C#N)C1;TUSWXGGSYUTJOF-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277815;MM277815;C=CC1(C)CC(C(=C)C)N1;VJTTURIXVKOMJJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277816;MM277816;C=C(C)C1CC(C)(C#N)N1;NDSZYEQKHKEFMM-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277817;MM277817;C=CCC(=O)N(N)CCO;ZWGAJGGCFYCWFM-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277818;MM277818;C=CC1(C)CC(C(=N)N)N1;XEZQOOQWHVHVDP-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277819;MM277819;CC1(C=O)CC(C(=N)N)N1;AXHNAULMZJAYDZ-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277820;MM277820;C=CC1(C)CC(C(=C)C)O1;GYDQVTMJDCQCBV-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277821;MM277821;C=C(C)C1CC(C)(C#N)O1;HYBMGYBUMDZLSK-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277822;MM277822;CC(=O)C1CC(C)(C=O)O1;YXTBBUAMLOVPLF-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277823;MM277823;CC1(C=O)CC(C(=N)N)O1;LZDLKXJSLBEVHG-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277824;MM277824;C=CC1(C)CN(C(C)=N)C1;PSQRNRSZDOADIA-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277825;MM277825;CC(=N)N1CC(C)(C=O)C1;XQIJFKCDJYXESM-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277826;MM277826;CC(=N)N1CC(C)(C#N)C1;PPMJJRPCNCVZCE-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277827;MM277827;C=CC1(C)CN(C(C)=O)C1;KAJBSVVFRAGTGS-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277828;MM277828;CC(=O)N1CC(C)(C=O)C1;SUCRALZODOCNJF-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277829;MM277829;CC(=O)N1CC(C)(C#N)C1;RJYFVHPDGWNDGX-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277830;MM277830;C=CC1(C)CN(C(=N)N)C1;HWGGLHAUJNVLJK-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277831;MM277831;CC1(C=O)CN(C(=N)N)C1;ZRIJGJORCXJTHB-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277832;MM277832;CC1(C#N)CN(C(=N)N)C1;MCBXVUGMGRYODF-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277833;MM277833;CC1(C=O)CN(C(N)=O)C1;DYHOLNWQPYMORT-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277834;MM277834;CC1(C#N)CN(C(N)=O)C1;ZYFIIPIAAXJEEA-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277835;MM277835;C=CC1(N)CN(C(C)=N)C1;BOWMWQROROCBKE-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277836;MM277836;C=CC1(N)CN(C(C)=O)C1;OTIMPBNMWMFWPO-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277837;MM277837;C=CC1(N)CN(C(=N)N)C1;PQKLQKGOHPYEKA-UHFFFAOYSA-N;140.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277838;MM277838;C=CC1(N)CN(C(N)=O)C1;IOIDWCHSVCPPOF-UHFFFAOYSA-N;141.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277839;MM277839;C=CC1(O)CN(C(C)=N)C1;MWHRSSJTGGHOOW-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277840;MM277840;CC(=N)N1CC(O)(C=O)C1;WLJWZIREPWPMEE-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277841;MM277841;CC(=N)N1CC(O)(C#N)C1;PEGHRNDEODLVGR-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277842;MM277842;C=CC1(O)CN(C(C)=O)C1;QWHHEBRYOIMNPR-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277843;MM277843;CC(=O)N1CC(O)(C=O)C1;HRBFMDLHARTXLQ-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277844;MM277844;CC(=O)N1CC(O)(C#N)C1;ALYHMBDSCPIYMJ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277845;MM277845;C=CC1(O)CN(C(=N)N)C1;QWMAZQCLULWCKI-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277846;MM277846;N=C(N)N1CC(O)(C=O)C1;NVJGBUBXFRFGGL-UHFFFAOYSA-N;143.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277847;MM277847;N#CC1(O)CN(C(=N)N)C1;XKSQRJDAQXQZTQ-UHFFFAOYSA-N;140.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277848;MM277848;C=CC1(O)CN(C(N)=O)C1;SQLDCMQVKWBSQT-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277849;MM277849;NC(=O)N1CC(O)(C=O)C1;BGCDPVICMQKQEW-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277850;MM277850;N#CC1(O)CN(C(N)=O)C1;KIINHFDDDQMALI-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277851;MM277851;C=CC1(F)CN(C(C)=N)C1;GPQXLOGAKYTXMB-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277852;MM277852;CC(=N)N1CC(F)(C=O)C1;WWKPLODYANKSJF-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277853;MM277853;CC(=N)N1CC(F)(C#N)C1;BYNRGYZSGVYFBK-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277854;MM277854;C=CC1(F)CN(C(C)=O)C1;OSFIYMBNCJFBSB-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277855;MM277855;CC(=O)N1CC(F)(C=O)C1;SATOXYOADBOGNR-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277856;MM277856;CC(=O)N1CC(F)(C#N)C1;NFYHKIMGEMGZPY-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277857;MM277857;C=CC1(F)CN(C(=N)N)C1;DHSGROZOYBHNIR-UHFFFAOYSA-N;143.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277858;MM277858;N=C(N)N1CC(F)(C=O)C1;ASLGBIVPOPICIO-UHFFFAOYSA-N;145.14;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277859;MM277859;N#CC1(F)CN(C(=N)N)C1;NEWFNFOFSDTVIL-UHFFFAOYSA-N;142.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277860;MM277860;C=CC1(F)CN(C(N)=O)C1;CCVDXZVLRADLOR-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277861;MM277861;NC(=O)N1CC(F)(C=O)C1;NWEKSATVLBPPEV-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277862;MM277862;N#CC1(F)CN(C(N)=O)C1;BCOXSJOQTRHSJS-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277863;MM277863;C#CC1(C)CC(C(=C)C)C1;XWQNHIQUMIMXLA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277864;MM277864;C#CC1(C)CC(C(C)=O)C1;PRJDDDIELLCIRX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277865;MM277865;C#CC1(C)CC(C(=N)N)C1;KYLCEULTJHOAAJ-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277866;MM277866;C#CC1(N)CC(C(=C)C)C1;YVBUFNVRAMGCJS-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277867;MM277867;C#CC1(N)CC(C(N)=O)C1;WUSNRFPFXORFEZ-UHFFFAOYSA-N;138.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277868;MM277868;C#CC1(N)CC(C(=C)F)C1;GGWPITGBMJQNOF-UHFFFAOYSA-N;139.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277869;MM277869;C#CC1(O)CC(C(=C)C)C1;AWKBXDFHIXDIDH-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277870;MM277870;C#CC1(O)CC(C(C)=O)C1;YPUQXNWTHHNYSM-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277871;MM277871;C#CC1(O)CC(C(=N)N)C1;JNWJNDPMHYZOHM-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277872;MM277872;C#CC1(O)CC(C(N)=O)C1;VANKGPPCDUDNMA-UHFFFAOYSA-N;139.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277873;MM277873;C#CC1(F)CC(C(=C)C)C1;LZYIKMXSPILQNQ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277874;MM277874;C#CC1(F)CC(C(C)=O)C1;PIYOWQIDYQRQPW-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277875;MM277875;C#CC1(F)CC(C(=N)N)C1;DYVWONYIAGTIGX-UHFFFAOYSA-N;140.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277876;MM277876;C#CC1(F)CC(C(N)=O)C1;PUJVVPBOHSMJRN-UHFFFAOYSA-N;141.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277877;MM277877;C#CC1(F)CC(C(=O)O)C1;KMZBFUNXNXCMAR-UHFFFAOYSA-N;142.13;0.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277878;MM277878;C#CC1(F)CC(C(=C)F)C1;XAFCOIGZUIGNNQ-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277879;MM277879;C#CC1(C)CC(C(=C)C)N1;GPOOEGNSAGESPU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277880;MM277880;C#CC1(C)CC(C(=C)C)O1;DLLUTXDQOYQNDB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277881;MM277881;C#CC1(C)CN(C(C)=N)C1;NYOYROFFUWVJEK-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277882;MM277882;C#CC1(C)CN(C(C)=O)C1;ZLCCRCARHTZVAS-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277883;MM277883;C#CC1(C)CN(C(=N)N)C1;HXZOYYOEPKXWBG-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277884;MM277884;C#CC1(C)CN(C(N)=O)C1;ZBUSIJHDNCQHCX-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277885;MM277885;C#CC1(N)CN(C(C)=N)C1;PBOPRPMEZAGCAE-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277886;MM277886;C#CC1(N)CN(C(=N)N)C1;PLUSEPMSNFPFQB-UHFFFAOYSA-N;138.17;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277887;MM277887;C#CC1(O)CN(C(C)=N)C1;CLPYHBHSRAJSAU-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277888;MM277888;C#CC1(O)CN(C(C)=O)C1;HROGTUZIUJZGRP-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277889;MM277889;C#CC1(O)CN(C(=N)N)C1;PRHVWRQUNJGGMA-UHFFFAOYSA-N;139.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277890;MM277890;C#CC1(O)CN(C(N)=O)C1;PPRVUDHSCPGHEX-UHFFFAOYSA-N;140.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277891;MM277891;C#CC1(F)CN(C(C)=O)C1;XJSZLCZVHMHODI-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277892;MM277892;C#CC1(F)CN(C(=N)N)C1;IKXMGUYKNDYIIB-UHFFFAOYSA-N;141.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277893;MM277893;C#CC1(F)CN(C(N)=O)C1;KCIOJRHCUPEWRI-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277894;MM277894;CCC1(C)CC(C)C(C)C1;YXRDXVIMFYBHKB-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277895;MM277895;CC1CC(C)(CN)CC1C;IJSJASZXHLVLMM-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277896;MM277896;NC=CC(=O)N(N)CCO;WUAYGELJUIOMRK-UHFFFAOYSA-N;145.16;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277897;MM277897;CC1CC(C)(CF)CC1C;FIXRMDVZCHEGEK-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277898;MM277898;CCC1(C)CC(C)C(N)C1;GHJVCIFILWDZFF-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277899;MM277899;CC1CC(C)(CF)CC1N;PFEFZRTUCICNDF-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277900;MM277900;NN(CCO)C(=O)C=CF;YMZKUOFRUOYPKI-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277901;MM277901;CC1CC(C)(CN)CC1O;AHRLKPZPNWEGPX-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277902;MM277902;CC1CC(C)(CF)CC1O;BLCIEROBFWDFPG-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277903;MM277903;CC1CC(C)(CF)CC1F;LHFIHKXMRHGZAH-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277904;MM277904;CC1(CF)CC(N)C(O)C1;LPJRFEOOTVHPOA-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277905;MM277905;CCC1(N)CC(C)C(C)C1;YGHZYCYVHOFVHU-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277906;MM277906;CC1CC(N)(CN)CC1C;OMYFYPRQHIZLRT-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277907;MM277907;CC1CC(N)(CO)CC1C;ZPSCEYMFQBQTOE-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277908;MM277908;CC1CC(N)(CF)CC1C;UGEWLYUIXUNYLE-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277909;MM277909;CCC1(N)CC(C)C(N)C1;JZFYLDOIUWBXFK-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277910;MM277910;CC1CC(N)(CO)CC1N;KKAOEIBKRTWLMJ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277911;MM277911;CC1CC(N)(CO)CC1O;PZVKHOYFEUEROL-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277912;MM277912;CCC1(N)CC(N)C(N)C1;JRMBDNIKLOKPRH-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277913;MM277913;NCC1(N)CC(N)C(N)C1;BWUPPUAQODIAJA-UHFFFAOYSA-N;144.22;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277914;MM277914;CCC1(N)CC(N)C(O)C1;GQURDAKGZIDWRP-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277915;MM277915;NCC1(N)CC(N)C(F)C1;VJTAUPAOZJJXKD-UHFFFAOYSA-N;147.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277916;MM277916;NC1CC(N)(CO)CC1F;AWMQFIANURXIJL-UHFFFAOYSA-N;148.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277917;MM277917;C=NN=C(C)N(N)CCO;WLZNRXTUCRVGDK-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277918;MM277918;CC1CC(O)(CN)CC1C;OTKJNPRBGOUIKK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277919;MM277919;CC1CC(O)(CN)CC1N;PSIVKYCEAKHKMU-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277920;MM277920;CCC1(O)CC(C)C(O)C1;GAKSUFPPVNSIHH-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277921;MM277921;CC1CC(O)(CO)CC1O;KNCZIRWQTCLKET-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277922;MM277922;CC1CC(O)(CN)CC1F;UHPHKCXQXIEQAG-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277923;MM277923;CC1CC(O)(CO)CC1F;YNLKMTLYRSZGDU-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277924;MM277924;CC1CC(F)(CO)CC1C;XLCUXACMAOXFGV-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277925;MM277925;CCC1(F)CC(C)C(N)C1;HODWJBOTCFKPEE-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277926;MM277926;CC1CC(F)(CO)CC1N;VBHMOUONGGSKNC-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277927;MM277927;CC1CC(F)(CO)CC1O;HQQNPUCPOQXUQV-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277928;MM277928;CC1CC(F)(CO)CC1F;MUGAGTIEQIQGBK-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277929;MM277929;CNC1(C)CC(C)C(C)C1;NXEQUSNYNMOAMC-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277930;MM277930;CNC1(C)CC(C)C(N)C1;MULMHTAZFNCJFM-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277931;MM277931;CNC1(C)CC(N)C(N)C1;RUIZJVALWBDSMF-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277932;MM277932;CNC1(C)CC(N)C(F)C1;VAVFJZSHIZZORU-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277933;MM277933;CCC1(C)CC(C)C(C)N1;UKPGHUMTUSYJMF-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277934;MM277934;CC1CC(C)(CN)NC1C;YHTCITSAISDSDT-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277935;MM277935;CCC1(C)CC(C)N(C)C1;KUOIBDRRGFKXNJ-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277936;MM277936;CC1CC(C)(CN)CN1C;PKIPXZHMJYNJER-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277937;MM277937;CC1CC(C)(CO)CN1C;PFAQTJYCSJAOHM-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277938;MM277938;CC1CC(C)(CF)CN1C;SFVWJPXZKSKBOA-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277939;MM277939;CCC1(N)CC(C)N(C)C1;OTFUMEYMEQDLNE-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277940;MM277940;CC1CC(N)(CN)CN1C;SGDXMRQMYAMXCE-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277941;MM277941;CC1CC(N)(CO)CN1C;GBWMOQVZEHVMSQ-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277942;MM277942;CCC1(O)CC(C)N(C)C1;WLEBSZZKXZZZIK-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277943;MM277943;CNC1(C)CC(C)N(C)C1;OXGIMSHOBRSZOS-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277944;MM277944;COC1(C)CC(C)N(C)C1;SHYMCWWCHFEVAW-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277945;MM277945;C=CC1(C)CC(C)C(C)C1;SZJCIUZDTGWJCC-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277946;MM277946;CC1CC(C)(C#N)CC1C;AHUKATLLTRDBCA-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277947;MM277947;C=CC1(C)CC(C)C(N)C1;WPPMJHDKPXRHLS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277948;MM277948;C=CCC(=O)C(C)=NOC;HIKKKEPFTHWZFF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277949;MM277949;CC1CC(C)(C=O)CC1O;VWOUJVXYLKBBEH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277950;MM277950;CC1CC(C)(C#N)CC1F;KXXGSXVGBUWGRS-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277951;MM277951;C=CC1(C)CC(N)C(O)C1;KKCXDCDSMWXDEW-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277952;MM277952;C=CC1(N)CC(C)C(C)C1;VUJZVYVNQFAMTO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277953;MM277953;C=CC1(N)CC(C)C(N)C1;ZXLMXTDPVQTSIN-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277954;MM277954;C=CC1(N)CC(C)C(O)C1;AVCRWFSCQKZVTE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277955;MM277955;C=CC1(N)CC(N)C(N)C1;YOSRIRPXRRGTNE-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277956;MM277956;C=C(C(N)=O)C(C#N)NC;XIQCZUBVHIMKOL-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277957;MM277957;CC1CC(O)(C=O)CC1C;USJGCDDEUHBLSN-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277958;MM277958;CC1CC(O)(C#N)CC1C;VXGYFDKLTBUXFE-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277959;MM277959;C=CC1(O)CC(C)C(N)C1;JOUHEUPYFDZBPJ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277960;MM277960;CC1CC(O)(C#N)CC1O;UPTZYQIPFRCDMQ-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277961;MM277961;C=CC1(O)CC(N)C(N)C1;ILHOVIWXBZFCHA-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277962;MM277962;C=CC1(F)CC(C)C(C)C1;JSARYSFUSSBEJS-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277963;MM277963;CC1CC(F)(C=O)CC1C;OUQMBIZJVCQNEF-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277964;MM277964;C=CC1(F)CC(C)C(N)C1;NTTDTBYXVYLWFF-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277965;MM277965;C=CC1(F)CC(N)C(N)C1;MBUCZPPPMJLBFI-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277966;MM277966;C=CC1(C)CC(C)C(C)N1;ANRBLBXUYGGJQE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277967;MM277967;CC1CC(C)(C=O)NC1C;AVCXPKCZRNRQFI-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277968;MM277968;C=CC1(C)CC(N)C(C)N1;NJOJZGTUUZXHRV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277969;MM277969;C=CC1(C)CC(O)C(C)N1;ZTUOQRDJZJIXCI-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277970;MM277970;CC=NN(CCC)CCO;MODGWMGGJCXOQR-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277971;MM277971;C=CC1(C)CC(C)N(C)C1;FJESBVHSLVUXKJ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277972;MM277972;CC1CC(C)(C=O)CN1C;CVGVNFYPALNHRN-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277973;MM277973;C=CC1(N)CC(C)N(C)C1;DNVJGXLHZMLHNF-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277974;MM277974;C=CC1(O)CC(C)N(C)C1;IRDFIYVCWAJOLW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277975;MM277975;CC1CC(O)(C=O)CN1C;TVMDHHGVVZFJRB-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277976;MM277976;C=CC1(F)CC(C)N(C)C1;QHGREFGFVZLFTH-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277977;MM277977;C#CC1(C)CC(C)C(C)C1;YYQFAJGLICPTMH-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277978;MM277978;C#CC1(C)CC(C)C(N)C1;PKZWVSJKFYXGHD-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277979;MM277979;C=CCN(CCO)N=CC;JBMDSAAQXGZUPL-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277980;MM277980;C#CC1(N)CC(C)C(C)C1;YDGJVELLOLAOON-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277981;MM277981;C#CC1(N)CC(C)C(N)C1;GQJVUXQYDNAITB-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277982;MM277982;C#CC1(N)CC(C)C(O)C1;MNLVEGMFYXHFEA-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277983;MM277983;C#CC1(N)CC(C)C(F)C1;QFJZLJQCZGUECZ-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277984;MM277984;C#CC1(N)CC(N)C(N)C1;VELVUSVIEUAGEY-UHFFFAOYSA-N;139.2;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277985;MM277985;C#CC1(O)CC(C)C(C)C1;CLROHYSTRHZBGC-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277986;MM277986;C#CC1(O)CC(C)C(N)C1;VBRXAJBBIZIUID-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277987;MM277987;C#CC1(O)CC(C)C(O)C1;HDQUCVRDAOERCO-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277988;MM277988;C#CC1(F)CC(C)C(C)C1;KILIDZSTJIJMQA-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277989;MM277989;C#CC1(F)CC(C)C(O)C1;XEQPQJVZLAWVNH-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277990;MM277990;C#CC1(C)CC(C)C(C)N1;BJAVQEHOOYZXNW-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277991;MM277991;C#CC1(C)CC(C)N(C)C1;SGAFIYGVMPHRLK-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277992;MM277992;C#CC1(N)CC(C)N(C)C1;HOOWFTXSDCNUFK-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277993;MM277993;C#CC1(O)CC(C)N(C)C1;UNCBEENEMCVYNC-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277994;MM277994;C=C1CC(C)(CC)CC1C;WUQBHKQIQNDMJE-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277995;MM277995;C=C1CC(C)(CN)CC1C;LIXJHYZRQDOBDP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277996;MM277996;CC=NN(CCO)C(C)C;HUSFRQHNJZPJAY-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277997;MM277997;CCC1(C)CC(=O)C(C)C1;VBGGBUXNWYBGPM-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277998;MM277998;CC1CC(C)(CF)CC1=O;CSOVJZOXMNNITQ-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM277999;MM277999;C=C1CC(C)(CO)CC1N;QCOGGUUJCVKXBO-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278000;MM278000;C=C1CC(C)(CF)CC1N;ODBMWMRUJHJRLW-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278001;MM278001;C=C1CC(C)(CO)CC1O;BICICZNNJULPHJ-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278002;MM278002;C=C1CC(N)(CC)CC1C;PIZCVWCAHWVTJW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278003;MM278003;C=C1CC(N)(CO)CC1C;RIHQHCSMSVPMLB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278004;MM278004;C=C1CC(N)(CF)CC1C;CFARUQNEWZMSDJ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278005;MM278005;C=C1CC(N)(CO)CC1N;YCYSMGBWFBWJGB-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278006;MM278006;C=C1CC(N)(CN)CC1O;CXIVEVZDCUTILX-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278007;MM278007;C=NOC(C=CC)C(N)=O;FUUHZNYSAJIPLG-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278008;MM278008;C=C1CC(O)(CN)CC1C;XUGXMWCCRXMHIB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278009;MM278009;C=C1CC(O)(CO)CC1C;YPGGUDIPYLYMRY-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278010;MM278010;CCC1(O)CC(=O)C(C)C1;PAVQNYYGLFHFBG-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278011;MM278011;CC1CC(O)(CO)CC1=O;PIPAGDWPXGFVOV-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278012;MM278012;C=C1CC(O)(CC)CC1N;VPCPCUGDAMABRV-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278013;MM278013;C=C1CC(O)(CN)CC1N;VTEBGKPVQXTXKV-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278014;MM278014;C=C1CC(O)(CO)CC1N;WSSJGCLXQVCEHM-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278015;MM278015;C=C1CC(O)(CO)CC1O;SZVSUHSUWOCRET-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278016;MM278016;C=C1CC(F)(CC)CC1C;WPBDTEIWDPNRHZ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278017;MM278017;C=C1CC(F)(CN)CC1C;CMDDIEVNLZBKLF-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278018;MM278018;C=C1CC(F)(CO)CC1C;UNCCGIXRXWYBQZ-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278019;MM278019;CCC1(F)CC(=O)C(C)C1;PGBZOBLNQRSROI-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278020;MM278020;CC1CC(F)(CO)CC1=O;DMPJDEFTQKIDMB-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278021;MM278021;C=C1CC(C)(NC)CC1C;LDQIEYJZMLGWIC-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278022;MM278022;CNC1(C)CC(=O)C(C)C1;YJDFZZFNIPORQS-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278023;MM278023;C=C1CC(C)(NC)CC1N;ASDACPBAGNNAFE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278024;MM278024;C=C1CC(C)(NC)CC1O;XXOYJXKZYVMXSS-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278025;MM278025;CNC1(C)CC(=O)C(O)C1;QHFSTIKVFDOGHN-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278026;MM278026;COC1(C)CC(=O)C(C)C1;DHDBHDJWOMNEEY-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278027;MM278027;C=C1CC(C)(OC)CC1N;UHRKORRZUTUAAX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278028;MM278028;COC1(C)CC(=O)C(O)C1;NAIZSCJWOZUYIJ-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278029;MM278029;CCC1(C)CC(C)C(=N)N1;VWPGGDBWFJAQMV-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278030;MM278030;CC1CC(C)(CN)NC1=N;ZODGWFDFNXXCNL-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278031;MM278031;CC1CC(C)(CO)NC1=N;DEKCFZWCPJDTKH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278032;MM278032;CC1CC(C)(CF)NC1=N;VCYVPQGGPLMUPO-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278033;MM278033;CCC1(C)CC(C)C(=O)N1;MOAWRGWGYFKKHJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278034;MM278034;CC1CC(C)(CN)NC1=O;WQDZFVDWGXTLMB-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278035;MM278035;CCC1(C)CC(N)C(=N)N1;JRKAINBSUCSGHW-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278036;MM278036;C=C1OC(C)(CC)CC1C;AICHKVUFYMRZCI-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278037;MM278037;C=C1OC(C)(CN)CC1C;HJDLPRQSSZZGAB-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278038;MM278038;CCC1(C)CC(C)C(=O)O1;ZTFNPDRSJOUPOY-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278039;MM278039;CC1CC(C)(CN)OC1=O;YRHIRIIVIPOMLJ-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278040;MM278040;C=C1OC(C)(CC)CC1N;CUTRBMCTUUVLSY-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278041;MM278041;C=C1OC(C)(OC)CC1C;FJOTVSHZWPXAGN-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278042;MM278042;C=C1CC(C)(CC)NC1C;WJBUGFIIVAIKCJ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278043;MM278043;C=C1CC(C)(CO)NC1C;MPWPTZZXOVGRAX-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278044;MM278044;C=C1CC(C)(CC)OC1C;TUENEXVYNDUGJR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278045;MM278045;C=C1CC(C)(CN)OC1C;FZMSBAJYPARRBJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278046;MM278046;CCC1(C)CC(=O)C(C)O1;ATUDFSZUEHYCAV-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278047;MM278047;CCC1(C)CC(=N)N(C)C1;RTQOYENVLAVKEA-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278048;MM278048;CN1CC(C)(CO)CC1=N;OJPZVDFBSKXULG-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278049;MM278049;CCC1(C)CC(=O)N(C)C1;LWGVOPRLAMJUHP-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278050;MM278050;CN1CC(C)(CN)CC1=O;LBHILRZPNNBUFJ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278051;MM278051;CN1CC(C)(CO)CC1=O;SDUUKFCCHGXAAG-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278052;MM278052;CN1CC(C)(CF)CC1=O;VJBIDGGVPGVXFO-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278053;MM278053;CCC1(C)CC(=N)N(N)C1;FDNOQWQHZLBYPP-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278054;MM278054;CC1(CF)CC(=N)N(N)C1;SEZQJUPRYLIOFW-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278055;MM278055;CCC1(C)CC(=O)N(N)C1;UURBPEYVXRPNPH-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278056;MM278056;CNN=C(COC)C(N)=O;ZPJHXAOXXCCPNZ-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278057;MM278057;CC1(CF)CC(=O)N(N)C1;ZWVALTJSBAJFTG-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278058;MM278058;CCC1(C)CC(=N)N(O)C1;FIGCIIZNANMKHY-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278059;MM278059;CC1(CN)CC(=N)N(O)C1;HNKHZXGRUOOHTR-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278060;MM278060;CC1(CF)CC(=N)N(O)C1;MSXPWJDDSDDJSV-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278061;MM278061;CCC1(N)CC(=N)N(C)C1;ADSIQWASJVIHEY-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278062;MM278062;CN1CC(N)(CN)CC1=N;RNCHTXFJOXXVAQ-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278063;MM278063;CN1CC(N)(CF)CC1=N;FYZQXZFWYLRMBP-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278064;MM278064;CCC1(N)CC(=O)N(C)C1;QPTRPJZSTXVVOK-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278065;MM278065;CN1CC(N)(CN)CC1=O;VXQZXNCEDUFOTH-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278066;MM278066;CN1CC(N)(CO)CC1=O;CYXKJBXUARBTBJ-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278067;MM278067;CCC1(N)CC(=N)N(O)C1;JFHORFKZDSXBEI-UHFFFAOYSA-N;143.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278068;MM278068;N=C1CC(N)(CN)CN1O;LIRHGERPNUDEKD-UHFFFAOYSA-N;144.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278069;MM278069;CCC1(O)CC(=N)N(C)C1;KPAXIMACLFTOOH-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278070;MM278070;CN1CC(O)(CN)CC1=N;AFMNROSODXMESL-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278071;MM278071;CN1CC(O)(CF)CC1=N;NIMHQQQKLJSNPH-UHFFFAOYSA-N;146.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278072;MM278072;CCC1(O)CC(=O)N(C)C1;RFFBZBCUHOHXNH-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278073;MM278073;CN1CC(O)(CO)CC1=O;JTJGAUAUAWZNBX-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278074;MM278074;CCC1(O)CC(=N)N(N)C1;WVGYTNAVPSBCPB-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278075;MM278075;C=CCc1cc(F)c(N)[nH]1;JFRGYMXPWOTOJV-UHFFFAOYSA-N;140.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278076;MM278076;C=NN(C=N)CC(=O)NC;HSKOUKPYCYNFAN-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278077;MM278077;N=C1CC(O)(CN)CN1O;HHMGHQOFSRSGBB-UHFFFAOYSA-N;145.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278078;MM278078;CCC1(F)CC(=N)N(C)C1;GWCCILQQNFSYQP-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278079;MM278079;CCC1(F)CC(=O)N(C)C1;NPSUGBNKENRJTG-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278080;MM278080;CN1CC(F)(CO)CC1=O;OOTROKDQKXMBIY-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278081;MM278081;CCC1(F)CC(=N)N(N)C1;DMZJRDHWCLKMHW-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278082;MM278082;CCC(=N)N(C)C(=O)NC;UCPBUKYXFVPXTK-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278083;MM278083;NN(C=O)C=NNCCO;OYKKQKUOFWKVKC-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278084;MM278084;CNC1(C)CC(=N)N(C)C1;ALNPGABXZQBSKF-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278085;MM278085;CNC1(C)CC(=O)N(C)C1;IDMSQIJEGZXZEE-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278086;MM278086;CNC1(C)CC(=N)N(N)C1;DMMXTUDKODFEEN-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278087;MM278087;CNC1(C)CC(=O)N(N)C1;YANZPMQVPFNCTG-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278088;MM278088;CNC1(C)CC(=N)N(O)C1;BCPRMXXBOWMXTQ-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278089;MM278089;COC1(C)CC(=N)N(N)C1;LCGALVZNQITTAK-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278090;MM278090;COC(=O)C=NNCCO;QYAHNPKHOXVCCH-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278091;MM278091;CCC1(C)CN(C)C(=N)N1;ZDZGIWWXYHLBCK-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278092;MM278092;CN1CC(C)(CN)NC1=N;GNMIUFHRCRZWGW-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278093;MM278093;CCC1(C)CN(C)C(=O)N1;OZCZPOMJETXBDK-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278094;MM278094;CCC1(C)CN(N)C(=N)N1;PUQLDNBDBIDDRY-UHFFFAOYSA-N;142.21;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278095;MM278095;CC1(CN)CN(O)C(=N)N1;ARVOKMWJCFQIHN-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278096;MM278096;CCC1(C)CN(C)C(=N)O1;XZJZSTPJGPUOHX-UHFFFAOYSA-N;142.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278097;MM278097;CCC1(C)CN(C)C(=O)O1;RSHHDMNIAJDFPH-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278098;MM278098;COC1(C)CN(N)C(=N)O1;QJGFDXNWWDNLQN-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278099;MM278099;CCC1(C)CC(=N)N(C)N1;QYTKTFDEWYHEPM-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278100;MM278100;CN1NC(C)(CO)CC1=N;KXJHRXDMSCNGKJ-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278101;MM278101;CCC1(C)CC(=O)N(C)N1;USPDYZHYYISDTL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278102;MM278102;CCC1(C)CC(=N)N(C)O1;LVCVUOUDOKIQBC-UHFFFAOYSA-N;142.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278103;MM278103;CN1OC(C)(CN)CC1=N;WEYFNRZYAAPAGA-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278104;MM278104;C=CC1(C)CC(=C)C(C)C1;ZUXIURXIDUDMJQ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278105;MM278105;C=C1CC(C)(C=O)CC1C;KDKSCRFWCYWUGK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278106;MM278106;C=C1CC(C)(C#N)CC1C;AATVJONAQYUTKZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278107;MM278107;C=CC1(C)CC(=O)C(C)C1;SFRDLEVVMGTGGG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278108;MM278108;CC1CC(C)(C=O)CC1=O;JYTNZRTWFUFBIC-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278109;MM278109;CC1CC(C)(C#N)CC1=O;MGFIVJFBBKBKCQ-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278110;MM278110;C=CC1(C)CC(=C)C(N)C1;UCYJUMCSCZWKTM-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278111;MM278111;C=C1CC(C)(C=O)CC1O;SLAGNCSXYYTNKY-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278112;MM278112;C=C1CC(C)(C#N)CC1O;KACVISYEFZPLQI-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278113;MM278113;C=C1CC(C)(C#N)CC1F;FHXZNWLOHRAXIE-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278114;MM278114;C=CC1(N)CC(=C)C(C)C1;UDYFTENAWQPPHI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278115;MM278115;C=CC1(N)CC(=C)C(N)C1;FKQSMNLPTJNSRK-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278116;MM278116;C=CC1(N)CC(=C)C(O)C1;JLKAOJUKXIZQGH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278117;MM278117;O=CC(=O)C=NNCCO;GSZIJVCNSVRCAB-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278118;MM278118;C=C1CC(O)(C=O)CC1C;VSMAEHFCGABVOC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278119;MM278119;C=C1CC(O)(C#N)CC1C;LAWAGLGQUNHQOF-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278120;MM278120;C=CC1(O)CC(=O)C(C)C1;QOVSWHUGVMJLRU-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278121;MM278121;CC1CC(O)(C=O)CC1=O;OXOZYUZUXMCYNS-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278122;MM278122;CC1CC(O)(C#N)CC1=O;ARNCXRUAJZNEBX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278123;MM278123;C=CC1(O)CC(=C)C(N)C1;GJAFMUQIIQOLCF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278124;MM278124;C=C1CC(O)(C#N)CC1O;QPLURFDEOBIQCX-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278125;MM278125;C=CC1(O)CC(=O)C(O)C1;ONYHSPUWUUAGNU-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278126;MM278126;N#CC1(O)CC(=O)C(O)C1;INEOXYRYMHPYOH-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278127;MM278127;C=C1CC(O)(C#N)CC1F;KOYZJIRKTRICSB-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278128;MM278128;C=CC1(F)CC(=C)C(C)C1;LMIRFOQUYWJLHH-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278129;MM278129;C=C1CC(F)(C=O)CC1C;KJOYJYIYHZBISC-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278130;MM278130;C=C1CC(F)(C#N)CC1C;ZCBAYNMUUOFOAH-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278131;MM278131;C=CC1(F)CC(=O)C(C)C1;BQCQZFQHLPGTBK-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278132;MM278132;CC1CC(F)(C=O)CC1=O;GEIBOQKKRVVRNB-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278133;MM278133;CC1CC(F)(C#N)CC1=O;SCWOHICUEMEWED-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278134;MM278134;C=CC1(F)CC(=C)C(N)C1;VDKCJTPDZHNYRB-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278135;MM278135;C=CC1(F)CC(=C)C(O)C1;VKPXRNBVYMJLCR-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278136;MM278136;O=CC1(F)CC(=O)C(O)C1;NKXYGNQCWCENGW-UHFFFAOYSA-N;146.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278137;MM278137;C=CC1(C)CC(C)C(=N)N1;MXHKQKBCPUTTGH-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278138;MM278138;CC1CC(C)(C=O)N=C1N;JMJDYKLHYVITIC-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278139;MM278139;CC1CC(C)(C#N)NC1=N;JOHPPMQCCBGSLM-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278140;MM278140;C=CC1(C)CC(C)C(=O)N1;CYDLHMMOOLVCET-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278141;MM278141;CC1CC(C)(C=O)NC1=O;URDSZYVMWPHPTI-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278142;MM278142;CC1CC(C)(C#N)NC1=O;IHMNJSSMUBNWMC-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278143;MM278143;C=CC1(C)CC(C)C(=C)O1;WVGRASFHXUWLIP-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278144;MM278144;C=C1OC(C)(C#N)CC1C;ZIZBNDPYNUXJIO-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278145;MM278145;C=CC1(C)CC(C)C(=O)O1;DRPSKZCKYGFDLB-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278146;MM278146;CC1CC(C)(C=O)OC1=O;ORVIDPWCLJCGFO-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278147;MM278147;CC1CC(C)(C#N)OC1=O;CSLUVZYKWSYMSV-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278148;MM278148;C=CC1(C)CC(N)C(=C)O1;SMHMCHSMQGSNFB-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278149;MM278149;C=CC1(C)CC(=C)C(C)N1;YLHHDMZFQOVWTA-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278150;MM278150;C=NN(CCO)C(C)CC;MVUKSACKFYTQJK-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278151;MM278151;C=CC1(C)CC(=C)C(C)O1;DRHSJKSIBCANTF-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278152;MM278152;C=CC1(C)CC(=N)N(C)C1;YMSVSBLTQHIINV-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278153;MM278153;CN1CC(C)(C=O)CC1=N;NSGYPRKUZVOLKH-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278154;MM278154;CN1CC(C)(C#N)CC1=N;HYIKPQZTAOGMPK-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278155;MM278155;C=CC1(C)CC(=O)N(C)C1;OKXGUIBKEMDIAN-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278156;MM278156;CN1CC(C)(C=O)CC1=O;VFKRPGBWSWSNJC-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278157;MM278157;CN1CC(C)(C#N)CC1=O;BCMCCKCCTLOPQY-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278158;MM278158;C=CC1(C)CC(=N)N(N)C1;AANCUKMLZVACMJ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278159;MM278159;C=CC1(C)CC(=O)N(N)C1;RSAJQYLLMIOXSJ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278160;MM278160;C=CC1(C)CC(=N)N(O)C1;RDJIJXKPNMKVGL-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278161;MM278161;CC1(C=O)CC(=N)N(O)C1;GDJBHFYPCPBVFB-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278162;MM278162;CC1(C#N)CC(=N)N(O)C1;OMPSIRVOQRPNSP-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278163;MM278163;C=CC1(N)CC(=N)N(C)C1;VAESBRCNHOPIKB-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278164;MM278164;C=CC1(N)CC(=O)N(C)C1;PBSSGDBAOYPCHD-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278165;MM278165;C=CC1(O)CC(=N)N(C)C1;RARKUJOGOLRSLC-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278166;MM278166;CN1CC(O)(C=O)CC1=N;LCTZDOLHCPVILO-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278167;MM278167;CN1CC(O)(C#N)CC1=N;BSWBGIGHYSQFFG-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278168;MM278168;C=CC1(O)CC(=O)N(C)C1;JWQZVMLVXSOCAE-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278169;MM278169;CN1CC(O)(C=O)CC1=O;LGOLJIBFHQSXFU-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278170;MM278170;CN1CC(O)(C#N)CC1=O;QCWYOLPZIUHIBN-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278171;MM278171;C=CC1(O)CC(=N)N(N)C1;RFMDWFSNLOFSPW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278172;MM278172;CNN(CCO)C(=N)C#N;VIMWEOIINWGSSM-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278173;MM278173;C=CC1(F)CC(=N)N(C)C1;VSFZYXFPLUEXGT-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278174;MM278174;CN1CC(F)(C=O)CC1=N;PMHCCEYBIMEGPK-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278175;MM278175;CN1CC(F)(C#N)CC1=N;IIFNSDSKJCYMGW-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278176;MM278176;C=CC1(F)CC(=O)N(C)C1;ULLYXOXQTNUKSF-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278177;MM278177;CN1CC(F)(C=O)CC1=O;WKBMOAPCSCZRAC-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278178;MM278178;CN1CC(F)(C#N)CC1=O;LAHMWZJONRSUMT-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278179;MM278179;C=CC1(F)CC(=N)N(N)C1;IPDFWLFZBGZFSC-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278180;MM278180;C=CC1(C)CN(C)C(=N)N1;HRDCOXQYBDDGBL-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278181;MM278181;CN1CC(C)(C#N)NC1=N;PGKZLYPMTPWLMQ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278182;MM278182;C=CC1(C)CN(C)C(=O)N1;WLYOMOFUUGXDPI-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278183;MM278183;CN1CC(C)(C#N)NC1=O;UJNIEXNCNLFBON-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278184;MM278184;C=CC1(C)CC(=N)N(C)N1;KDHZHRPPWYMYDA-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278185;MM278185;CN1NC(C)(C=O)CC1=N;DHNKQLSFSTVZDM-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278186;MM278186;CN1NC(C)(C#N)CC1=N;RIWRZCXDONFGGH-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278187;MM278187;C=CC1(C)CC(=O)N(C)N1;KGTAJWORJHTBOT-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278188;MM278188;C=CC(=O)N(CC=O)N=C;OHHZECRUOWTLMV-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278189;MM278189;C#CC1(C)CC(=C)C(C)C1;LUSLQAZBUKHQSD-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278190;MM278190;C#CC1(C)CC(=O)C(C)C1;MFBFJULXVAEQFW-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278191;MM278191;C#CC1(C)CC(=C)C(N)C1;CNPSUHFUGRZLQC-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278192;MM278192;C#CC(=CCO)N(N)C=O;CIOBPHRTLHQKAG-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278193;MM278193;C#CC1(C)CC(=C)C(F)C1;HBQDXTAKCVRJOB-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278194;MM278194;C#CC1(N)CC(=C)C(C)C1;FULWEVCMWDZKBK-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278195;MM278195;C#CC1(N)CC(=C)C(N)C1;QSXRZCOVAGWTPS-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278196;MM278196;C#CC1(N)CC(=C)C(O)C1;GUEOJFXRLHEZHN-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278197;MM278197;C#CC1(O)CC(=C)C(C)C1;ZJXFBNDVPKTWKS-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278198;MM278198;C#CC1(O)CC(=O)C(C)C1;KYDZCUCGFPGNOP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278199;MM278199;C#CC1(O)CC(=C)C(N)C1;NDANDXTXNAQECW-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278200;MM278200;C#CC1(O)CC(=C)C(F)C1;HRLAAYVNFNEUPW-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278201;MM278201;C#CC1(F)CC(=C)C(C)C1;BZBMPAJTXOROAO-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278202;MM278202;C#CC1(F)CC(=O)C(C)C1;ZZWIKTWGRZGAIP-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278203;MM278203;C#CC1(C)CC(C)C(=N)N1;XUCKUFAIOQUDOA-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278204;MM278204;C#CC1(C)CC(C)C(=O)N1;MIVUJMYPBAVLJN-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278205;MM278205;C#CC1(C)CC(N)C(=N)N1;ZRGURECTRQZLIQ-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278206;MM278206;C#CC1(C)CC(C)C(=C)O1;MALQVEBZCUUIAX-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278207;MM278207;C#CC1(C)CC(C)C(=O)O1;FNUQUDDZAHRZGF-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278208;MM278208;C#CC1(C)CC(N)C(=C)O1;CBOYPSDOUOVQCN-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278209;MM278209;C#CC1(C)CC(O)C(=C)O1;IYOCMOQDYXXCPK-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278210;MM278210;C#CC1(C)CC(=C)C(C)N1;BSTQMVPGXXCHCL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278211;MM278211;C#CC1(C)CC(=C)C(C)O1;MJCHVPQMHIXCKM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278212;MM278212;C#CC1(C)CC(=O)C(C)O1;DGKGBODBCIQERO-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278213;MM278213;C#CC1(C)CC(=N)N(C)C1;IQVLRQPQWIMVBG-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278214;MM278214;C#CC1(C)CC(=O)N(C)C1;HVKDISIHXAUTRI-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278215;MM278215;C#CC1(C)CC(=N)N(N)C1;UTEXPFNIWNLENS-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278216;MM278216;C#CC1(C)CC(=O)N(N)C1;JAAIYIPVZLFHDA-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278217;MM278217;C#CC1(C)CC(=N)N(O)C1;XXVPSSXPVPQQGL-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278218;MM278218;C#CC1(N)CC(=N)N(C)C1;SQXKMIKVFURFIC-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278219;MM278219;C#CC1(O)CC(=N)N(C)C1;VUXYMZFWXMDALC-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278220;MM278220;C#CC1(O)CC(=O)N(C)C1;ZGZGMJCDUMGPBG-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278221;MM278221;C#CC1(O)CC(=N)N(N)C1;GNLZYIFGZYCKFD-UHFFFAOYSA-N;139.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278222;MM278222;C=NN(CCO)CCC#N;VWNJCWKHUGVWJX-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278223;MM278223;C#CC1(F)CC(=N)N(C)C1;DLQSUPACWPQYKF-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278224;MM278224;C#CC1(F)CC(=O)N(C)C1;HGULXLRYDULNRK-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278225;MM278225;C#CC1(F)CC(=N)N(N)C1;KMYHMGRNPJKDBO-UHFFFAOYSA-N;141.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278226;MM278226;N#CCNN(C=O)CCO;LKBMDRURYAHELB-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278227;MM278227;C#CC1(C)CN(C)C(=N)N1;BYDQSCHYVDEFNG-UHFFFAOYSA-N;137.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278228;MM278228;C#CC1(C)CN(C)C(=O)N1;INTUSZZGNRNELH-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278229;MM278229;C#CC1(C)CN(N)C(=N)N1;USAGXCLLEZPUQV-UHFFFAOYSA-N;138.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278230;MM278230;C#CCNN(C=O)CCO;STRSEBQTHBCGPC-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278231;MM278231;C#CC1(C)CN(O)C(=N)N1;HTHBMTOELZUSCX-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278232;MM278232;C#CC1(C)CN(C)C(=O)O1;IZHAHGVCCLDFFL-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278233;MM278233;C#CC1(C)CC(=N)N(C)N1;MAZLHNCETMHWCV-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278234;MM278234;C=NN(CC=CF)CCO;UTJBTWKGYWRPAZ-UHFFFAOYSA-N;146.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278235;MM278235;C=C1CC(C)(CC)CC1=C;UXNBOMAZFACAMA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278236;MM278236;C=C1CC(C)(CN)CC1=C;SVCIPAUPISNACH-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278237;MM278237;CCC=NN(CC)CCO;WVSJRYZNGTVUDM-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278238;MM278238;C=C1CC(C)(CF)CC1=C;GZJWGAOZVTXHFS-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278239;MM278239;C=C1CC(C)(CC)CC1=O;BJADYZLEBXXVBM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278240;MM278240;C=C1CC(C)(CF)CC1=O;UEEOYGLMVIGZKX-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278241;MM278241;CCC1(C)CC(=O)C(=O)C1;YHBYDAMECPWEOZ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278242;MM278242;CC1(CF)CC(=O)C(=O)C1;VJPOFMPYCZEVLQ-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278243;MM278243;C=C1CC(N)(CC)CC1=C;CTJXDZYUGAAYKE-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278244;MM278244;C=C1CC(N)(CN)CC1=C;ZSDPNDVSXGWOBZ-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278245;MM278245;C=C1CC(N)(CO)CC1=C;WHFPRSZWMZGFSI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278246;MM278246;C=CC=NN(CC)CCO;ODRMWACDMXYWOS-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278247;MM278247;C=C1CC(O)(CN)CC1=C;LCJBMDNUFNYHST-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278248;MM278248;C=C1CC(O)(CO)CC1=C;WXVKVYJJHMIIAX-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278249;MM278249;C=C1CC(O)(CC)CC1=O;QLXPXSDUCUEJJR-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278250;MM278250;C=C1CC(O)(CO)CC1=O;WXNUCGQMRWIKEI-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278251;MM278251;CCC1(O)CC(=O)C(=O)C1;QELLRILHMMVNDD-UHFFFAOYSA-N;142.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278252;MM278252;O=C1CC(O)(CO)CC1=O;PZXRCOSXSMPHQC-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278253;MM278253;O=C1CC(O)(CF)CC1=O;ZOKDPAROZBJGNS-UHFFFAOYSA-N;146.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278254;MM278254;C=C1CC(F)(CC)CC1=C;FSOOSTVRMTVZQD-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278255;MM278255;C=C1CC(F)(CC)CC1=O;MSPVGBCSOCHJKH-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278256;MM278256;C=C1CC(F)(CO)CC1=O;VYLJUMDLCOHFRK-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278257;MM278257;CCC1(F)CC(=O)C(=O)C1;FRAQRHWDAQKXCJ-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278258;MM278258;C=C1CC(C)(NC)CC1=C;BSXLMEZQAZOYFW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278259;MM278259;C=C1CC(C)(NC)CC1=O;PPCNEMVVWWMXED-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278260;MM278260;CNC1(C)CC(=O)C(=O)C1;YFNKDDRKOFIEJI-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278261;MM278261;C=C1CC(C)(OC)CC1=C;LHSYLNJERXKRQV-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278262;MM278262;C=C1CC(C)(OC)CC1=O;ZODQLFZKBPFVCM-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278263;MM278263;COC1(C)CC(=O)C(=O)C1;NUQDVGZISQPOSA-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278264;MM278264;C=C1CC(C)(CC)NC1=N;HMBJIUBGGFRYDJ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278265;MM278265;C=C1CC(C)(CC)NC1=O;ZDMHPIRDRJJSJJ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278266;MM278266;CCC1(C)CC(=O)C(=N)N1;DHUAXGWLTPQJNF-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278267;MM278267;CCC1(C)CC(=O)C(=O)N1;YQERRPYVJWUWLM-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278268;MM278268;C=C1CC(C)(CC)OC1=C;OHFHZAPTPCYLIH-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278269;MM278269;C=C1CC(C)(CC)OC1=O;AROUKPGXPMZJED-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278270;MM278270;C=C1OC(C)(CC)CC1=O;ASROWSLHEFGOQM-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278271;MM278271;C=C1CC(C)(OC)OC1=C;CEKRBVOHQGEWGK-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278272;MM278272;COC1(C)CC(=O)C(=O)O1;CMCBZUXGVGAGAR-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278273;MM278273;C=CC1(C)CC(=C)C(=C)C1;TWRWZCDGCUDHRI-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278274;MM278274;C=C1CC(C)(C=O)CC1=C;WXHJJBPDWVYUBC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278275;MM278275;C=C1CC(C)(C#N)CC1=C;HVYLOMDHEOIHFL-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278276;MM278276;C=CC1(C)CC(=C)C(=O)C1;LSTQNFHJGRIUEM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278277;MM278277;C=C1CC(C)(C=O)CC1=O;JUQBARVDKMFTNY-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278278;MM278278;C=C1CC(C)(C#N)CC1=O;RLPHPNOKXKKMJH-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278279;MM278279;C=CC1(C)CC(=O)C(=O)C1;SMOGWXWQCUYESI-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278280;MM278280;CC1(C=O)CC(=O)C(=O)C1;ATCHDAUXGZSOPU-UHFFFAOYSA-N;140.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278281;MM278281;CC1(C#N)CC(=O)C(=O)C1;IUBMOGBBJIMUMI-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278282;MM278282;C=CC1(N)CC(=C)C(=C)C1;RREYUDFBJUARNN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278283;MM278283;C#CCCN(C=N)C(N)=O;VTQIZCNFNNBJCH-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278284;MM278284;C=C1CC(O)(C=O)CC1=C;DNTDGIVFWOXDHV-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278285;MM278285;C=C1CC(O)(C#N)CC1=C;PLJGPENZLBAZKL-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278286;MM278286;C=CC1(O)CC(=C)C(=O)C1;ATVZTWFCMGXYGD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278287;MM278287;C=C1CC(O)(C=O)CC1=O;JSURMAQMNPTADJ-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278288;MM278288;C=C1CC(O)(C#N)CC1=O;UZRDQEZGWQITAN-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278289;MM278289;C=CC1(O)CC(=O)C(=O)C1;AECQKAWPKFWRAC-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278290;MM278290;O=CC1(O)CC(=O)C(=O)C1;IEMIRVFIRLUVEW-UHFFFAOYSA-N;142.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278291;MM278291;N#CC1(O)CC(=O)C(=O)C1;PHKPHDTUPZSTNS-UHFFFAOYSA-N;139.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278292;MM278292;C=CC1(F)CC(=C)C(=C)C1;KRBDBPBFHULDKK-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278293;MM278293;C=C1CC(F)(C=O)CC1=C;SVJXPPOCIQZMLC-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278294;MM278294;C=C1CC(F)(C#N)CC1=C;PEQZEBTUDQXOSO-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278295;MM278295;C=CC1(F)CC(=C)C(=O)C1;JTYVTAUUFQGOKK-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278296;MM278296;C=C1CC(F)(C=O)CC1=O;YPFKTCJOZYYSRU-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278297;MM278297;C=C1CC(F)(C#N)CC1=O;HENUFJXIAVIGTA-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278298;MM278298;C=CC1(F)CC(=O)C(=O)C1;MFZHNYLYTKGXAY-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278299;MM278299;O=CC1(F)CC(=O)C(=O)C1;DYJVBDORSDTKLY-UHFFFAOYSA-N;144.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278300;MM278300;C=CC1(C)CC(=C)C(=N)N1;SKDCJCFBMNIZPZ-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278301;MM278301;C=C1CC(C)(C#N)NC1=N;HTOCBXJSPHDNPA-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278302;MM278302;C=CC1(C)CC(=C)C(=O)N1;CDXOOOMRNWWLLK-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278303;MM278303;C=C1CC(C)(C=O)NC1=O;FZGDMPAKMULXMG-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278304;MM278304;C=C1CC(C)(C#N)NC1=O;FIYAQYJGHCABPD-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278305;MM278305;C=CC1(C)CC(=C)C(=C)O1;NYKGAKKXKBVATC-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278306;MM278306;C=C1CC(C)(C#N)OC1=C;PMWLXHKWTIAUKJ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278307;MM278307;C=CC1(C)CC(=C)C(=O)O1;PCGRWAZVWDRPMI-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278308;MM278308;C=C1CC(C)(C#N)OC1=O;GKDYMCVZYNKZRT-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278309;MM278309;C=CC1(C)CC(=O)C(=C)O1;WBWWDWJAQAMPHL-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278310;MM278310;C#CC1(C)CC(=C)C(=C)C1;XOUNNBFPSDWXPJ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278311;MM278311;C#CC1(C)CC(=C)C(=O)C1;PKUZSRSBOUNNRH-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278312;MM278312;C#CC1(C)CC(=O)C(=O)C1;QSSIRJILGZANLX-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278313;MM278313;C#CC1(N)CC(=C)C(=C)C1;NNPAEKRIQRJXRE-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278314;MM278314;C#CC1(O)CC(=C)C(=C)C1;BGHOBZUIRROFLA-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278315;MM278315;C#CC1(O)CC(=C)C(=O)C1;LMBYVYPGHSIONN-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278316;MM278316;C#CC1(O)CC(=O)C(=O)C1;BYLYDSYXICDODM-UHFFFAOYSA-N;138.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278317;MM278317;C#CC1(F)CC(=C)C(=C)C1;MRMHNEBDEXTIJG-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278318;MM278318;C#CC1(F)CC(=C)C(=O)C1;QFRKWIKHRNRUOR-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278319;MM278319;C#CC1(F)CC(=O)C(=O)C1;BXNQFGFWBSROAG-UHFFFAOYSA-N;140.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278320;MM278320;C#CC1(C)CC(=C)C(=N)N1;NUGBFFJLZDYWQZ-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278321;MM278321;C#CC1(C)CC(=C)C(=O)N1;RBUJIFSIQBFUJL-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278322;MM278322;CCOCC(=NN)C(N)=O;JASDLKYDWLQOTI-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278323;MM278323;C#CC1(C)CC(=O)C(=O)N1;HZTWPFVFRAQNDF-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278324;MM278324;C#CC1(C)CC(=C)C(=C)O1;YACRXQVXYIWXEZ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278325;MM278325;C#CC1(C)CC(=C)C(=O)O1;VEBUXJQGFOEIAT-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278326;MM278326;C#CC1(C)CC(=O)C(=C)O1;LONRPRZLYJLNMO-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278327;MM278327;CCC1(C)C=C(C)C(C)C1;XAUDDHWFYHDANI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278328;MM278328;CC1=CC(C)(CN)CC1C;GMFWNERKURZRAF-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278329;MM278329;CC1C(C)N1C(=N)C(N)=O;MNSNRWGSPOIKHD-UHFFFAOYSA-N;141.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278330;MM278330;CC1=CC(C)(CF)CC1C;CIOFDGRHKZGKFL-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278331;MM278331;CCC1(C)C=C(F)C(C)C1;RUCIXQYAYGJPHW-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278332;MM278332;CC1CC(C)(CN)C=C1F;MJUCEQIDRLGCOJ-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278333;MM278333;CCC1(C)C=C(C)C(N)C1;BVSHIWYUTKOTQP-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278334;MM278334;CC1=CC(C)(CN)CC1N;HVMARSNTGXBTHD-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278335;MM278335;CC1=CC(C)(CO)CC1N;YUFDFXFZKWKVGH-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278336;MM278336;CCC1(C)C=C(F)C(N)C1;SNGPBTSMCIRWRF-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278337;MM278337;CCC(C=O)OC=NNC;OUMUNLTXRISHRN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278338;MM278338;CC1=CC(C)(CN)CC1O;KGFUFAZHVVHTFM-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278339;MM278339;CC1=CC(C)(CO)CC1O;UGGMRASAGPLYAO-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278340;MM278340;CCC1(N)C=C(C)C(C)C1;CFGCBGJQPCPOHT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278341;MM278341;CC1=CC(N)(CN)CC1C;MXFLYSSIHNLCNP-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278342;MM278342;CC1=CC(N)(CO)CC1C;UKWZKSIRLRGTEW-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278343;MM278343;CC1=CC(N)(CF)CC1C;NIAIUXKMNRYIBZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278344;MM278344;CCC1(N)C=C(F)C(C)C1;NPYQAJGOCGEUGZ-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278345;MM278345;CC1CC(N)(CN)C=C1F;LHCFZRDKQGDMBD-UHFFFAOYSA-N;144.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278346;MM278346;CC1CC(N)(CO)C=C1F;FHDMWQYTRPKCRO-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278347;MM278347;CC1CC(N)(CF)C=C1F;ZPICICLMQLKCPJ-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278348;MM278348;CCC1(N)C=C(C)C(N)C1;OMUQQQXNMAVAPE-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278349;MM278349;CC1=CC(N)(CF)CC1N;SDRHCPRXDCTTEG-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278350;MM278350;CCC1(N)C=C(F)C(N)C1;IBUPCDFNVOLDHW-UHFFFAOYSA-N;144.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278351;MM278351;CCC1(N)C=C(C)C(O)C1;VYIPRQRXMZOPFU-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278352;MM278352;COC(=NNCCO)NN;MPUBWILHBNLGDM-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278353;MM278353;CC1=CC(O)(CN)CC1C;UMVJCLJKEUIXIY-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278354;MM278354;CC1=CC(O)(CO)CC1C;CBZNNLLOTKHRGZ-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278355;MM278355;CCC1(O)C=C(F)C(C)C1;GXQMHVCXFBAIOY-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278356;MM278356;CC1CC(O)(CN)C=C1F;JMFSDHQXJFZMPK-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278357;MM278357;CC1CC(O)(CO)C=C1F;MLMDRJQDBNDHHM-UHFFFAOYSA-N;146.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278358;MM278358;CCC1(O)C=C(C)C(N)C1;ACDOZNIYSPXEBR-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278359;MM278359;NCC1(O)C=C(F)C(N)C1;XHHRQLQUYOKQMD-UHFFFAOYSA-N;146.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278360;MM278360;CCC1(F)C=C(C)C(C)C1;ZBTRKHQZMVNEHV-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278361;MM278361;CC1=CC(F)(CN)CC1C;ISHKXGMLEQRXTI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278362;MM278362;CC1=CC(F)(CO)CC1C;GHPJNUSCXLGTSS-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278363;MM278363;CCC1(F)C=C(F)C(C)C1;OEJCKHMWRCLWLA-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278364;MM278364;CC1CC(F)(CN)C=C1F;RTQRQBCCHZWHJH-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278365;MM278365;CC1CC(F)(CO)C=C1F;SVRFMDDVKIPSFZ-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278366;MM278366;CCC1(F)C=C(C)C(N)C1;NTKZOUVJLZVJHH-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278367;MM278367;CC1=CC(F)(CN)CC1N;NRJXYBMBMPWKHG-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278368;MM278368;CC1=CC(F)(CO)CC1N;IWAXWXGPTXWWRE-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278369;MM278369;NCC1(F)C=C(F)C(N)C1;HCKIWJLDTYQOGU-UHFFFAOYSA-N;148.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278370;MM278370;CNC1(C)C=C(C)C(C)C1;NMYKZUBAHSRXNB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278371;MM278371;CNC1(C)C=C(F)C(C)C1;KTSLVTIUEVTZNK-UHFFFAOYSA-N;143.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278372;MM278372;CNC1(C)C=C(C)C(N)C1;QVELRMQRCNHLLQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278373;MM278373;CNC1(C)C=C(F)C(N)C1;XQRVSEKHIUXUQZ-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278374;MM278374;COC1(C)C=C(C)C(C)C1;ICLXIIWHCQOCMB-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278375;MM278375;COC1(C)C=C(F)C(C)C1;ZNXYLEOCQNYKME-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278376;MM278376;CCC1(C)C=C(C)C(C)N1;AWRWGDJHMARIHL-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278377;MM278377;CCC1(C)C=C(F)C(C)N1;ZAPHPKJAKRLASH-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278378;MM278378;CC1NC(C)(CN)C=C1F;FUGPBDXPMIKKSC-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278379;MM278379;CCC1(C)C=C(C)C(C)O1;FLADJVSMWHSWCL-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278380;MM278380;CCC1(C)CN(C)C(C)=N1;IVTPHRPZTLJKFM-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278381;MM278381;C=CC1(C)C=C(C)C(C)C1;XBKGGZISJPCXMD-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278382;MM278382;CC1=CC(C)(C=O)CC1C;PEDCMRHHKSLSJM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278383;MM278383;CC1=CC(C)(C#N)CC1C;VIKVYDXTKLLJMI-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278384;MM278384;C=CC1(C)C=C(F)C(C)C1;WWJXWEXQLQCISB-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278385;MM278385;CC1CC(C)(C=O)C=C1F;KYGZDLMLOHBGFA-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278386;MM278386;CC1CC(C)(C#N)C=C1F;FRDKUCUEGZKYOB-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278387;MM278387;C=CC1(C)C=C(C)C(N)C1;RQVUGZKAZOMWEL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278388;MM278388;C=CC1(C)C=C(F)C(N)C1;JWIQHCQPOCBCIO-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278389;MM278389;COC(=NNCCO)OC;HAULHKKTTWQLLS-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278390;MM278390;CC1=CC(C)(C#N)CC1O;JDEMJDATZSYQNW-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278391;MM278391;C=CC1(N)C=C(C)C(C)C1;PGWMFXYGKPOZNJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278392;MM278392;C=CC1(N)C=C(F)C(C)C1;XJBTVUNVVOCLIP-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278393;MM278393;C=CC1(N)C=C(C)C(N)C1;NXZDIFCCPXNASZ-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278394;MM278394;C=CC1(N)C=C(C)C(O)C1;NRKLXMNUCNWPBC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278395;MM278395;COC(C=O)=NNCCO;MZWOQQJCPMSMEP-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278396;MM278396;CC1=CC(O)(C=O)CC1C;XMRGITPANFZYEC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278397;MM278397;CC1=CC(O)(C#N)CC1C;AZRJYJJMXBLYQT-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278398;MM278398;C=CC1(O)C=C(F)C(C)C1;RFPGCDWVOZQQNP-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278399;MM278399;CC1CC(O)(C=O)C=C1F;JNKUWFHXWIZLQR-UHFFFAOYSA-N;144.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278400;MM278400;CC1=CC(O)(C#N)CC1O;IRZHTOFYFMEBCX-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278401;MM278401;C=CC1(F)C=C(C)C(C)C1;GHEZNUVTYVZGAN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278402;MM278402;CC1=CC(F)(C=O)CC1C;RPRUZQKGBDABMU-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278403;MM278403;C=CC1(F)C=C(F)C(C)C1;LJCHAQPSQRMIOH-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278404;MM278404;CC1CC(F)(C=O)C=C1F;JKRBWJUEFAATQF-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278405;MM278405;CC1CC(F)(C#N)C=C1F;AFGWEOSYJJZESL-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278406;MM278406;C=CC1(F)C=C(C)C(N)C1;SNLDQUDTOHOYDN-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278407;MM278407;C=CC1(F)C=C(C)C(O)C1;NUZJYKJQYSBUQU-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278408;MM278408;C=CC1(C)C=C(C)C(C)N1;DBGKIMZSYHVPAL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278409;MM278409;CC1=CC(C)(C#N)NC1C;MYISQYQUVRWQHT-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278410;MM278410;CC1NC(C)(C#N)C=C1F;MSTWZJJTFICRPY-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278411;MM278411;C=CC1(C)C=C(C)C(C)O1;JHXLCAHKMQRJPF-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278412;MM278412;C=CC1(C)CN(C)C(C)=N1;PVQMRWUGZYUSHB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278413;MM278413;C#CC1(C)C=C(C)C(C)C1;DXFSDEVPAMVXAE-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278414;MM278414;C#CC1(C)C=C(F)C(C)C1;SNSMCNFFCSPSTC-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278415;MM278415;C#CC1(C)C=C(C)C(N)C1;LYMSDCYIKIIZEZ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278416;MM278416;C#CC1(N)C=C(C)C(C)C1;VRHBRBSIRBKOPP-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278417;MM278417;C#CC1(N)C=C(F)C(C)C1;CMYDSUVZGAIPNF-UHFFFAOYSA-N;139.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278418;MM278418;C#CC1(N)C=C(C)C(N)C1;GAEAAZHUXCEZQX-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278419;MM278419;C#CC1(N)C=C(F)C(N)C1;MYYULIXYBUDYNE-UHFFFAOYSA-N;140.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278420;MM278420;C#CC1(O)C=C(C)C(C)C1;SHRBTTYQBAEMOB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278421;MM278421;C#CC1(O)C=C(F)C(C)C1;KBCJVLGIWVGEMU-UHFFFAOYSA-N;140.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278422;MM278422;C#CC1(O)C=C(C)C(N)C1;TZTYVPSLQSLQCA-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278423;MM278423;C#CC1(F)C=C(C)C(C)C1;IKEZHEMVJRLZRN-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278424;MM278424;C#CC1(F)C=C(F)C(C)C1;YPBSNPXGXRIUIR-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278425;MM278425;C#CC1(C)C=C(C)C(C)N1;WRHDHFUPGMZPKM-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278426;MM278426;C#CC1(C)C=C(C)C(C)O1;OKXPZUVNEBRAIP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278427;MM278427;C#CC(=NNCCO)OC;UJRZWSKBHZFRFI-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278428;MM278428;C=C1CC(C)(CC)C=C1C;MJCPIWKZFCEEKR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278429;MM278429;C=C1CC(C)(CN)C=C1C;RNPVKQOSAQQFRU-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SN0";;;;;;;2.87;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278430;MM278430;C=C1CC(C)(CC)C=C1F;GSJUNUHULSETNI-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278431;MM278431;C=C1CC(C)(CN)C=C1F;XZQVCJZVRZSKHI-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278432;MM278432;CCC1(C)C=C(C)C(=O)C1;FWTYMKSKDIBMBO-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278433;MM278433;CCC1(C)C=C(F)C(=O)C1;ARUMOJMGVJIPHW-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278434;MM278434;C=C1CC(N)(CC)C=C1C;NTHDSMLQKRACLV-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278435;MM278435;C=C1CC(N)(CN)C=C1C;XKEDUBDICSOLOB-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278436;MM278436;C=C1CC(N)(CC)C=C1F;LQKJEGOUZOIXEH-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278437;MM278437;C=C1CC(N)(CN)C=C1F;JVNWCMWMRWUUPD-UHFFFAOYSA-N;142.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278438;MM278438;NN=C(CF)N(N)CCO;DNIHRLWMAOQNQA-UHFFFAOYSA-N;150.16;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278439;MM278439;C=C1CC(O)(CN)C=C1C;YTAYWOLPAPATDZ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278440;MM278440;C=C1CC(O)(CC)C=C1F;LTLLKKIVCLIWOJ-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278441;MM278441;C=C1CC(O)(CN)C=C1F;QVMNCAJOZZVRJK-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278442;MM278442;C=C1CC(O)(CO)C=C1F;CAXGHRRDOIKXCQ-UHFFFAOYSA-N;144.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278443;MM278443;CCC1(O)C=C(C)C(=O)C1;QOCBDCALVJNGST-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278444;MM278444;CCC1(O)C=C(F)C(=O)C1;ZWWJBSYYJHBPCN-UHFFFAOYSA-N;144.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278445;MM278445;C=C1CC(F)(CC)C=C1C;RIQJMRYGEKYZSL-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278446;MM278446;C=C1CC(F)(CN)C=C1C;CHLHCQMBHLGDJU-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278447;MM278447;C=C1CC(F)(CC)C=C1F;PCAHUPKRKOAHTA-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278448;MM278448;C=C1CC(F)(CN)C=C1F;AMAJCWKJOCSDKI-UHFFFAOYSA-N;145.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278449;MM278449;C=C1CC(F)(CO)C=C1F;UKCLVWDTYNRSEW-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278450;MM278450;CCC1(F)C=C(C)C(=O)C1;NUCLEZWQQYXTRG-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278451;MM278451;C=C1CC(C)(NC)C=C1C;HEBYHTGDHZWVDD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278452;MM278452;C=C1CC(C)(NC)C=C1F;JGSBUDUXXBYQBJ-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278453;MM278453;CNC1(C)C=C(C)C(=O)C1;BSVVQVSQKBSLTG-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278454;MM278454;CNC1(C)C=C(F)C(=O)C1;MSKACMVIUMRKKM-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278455;MM278455;C=C1CC(C)(OC)C=C1F;MRBNNUBZUNQRDA-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278456;MM278456;COC1(C)C=C(F)C(=O)C1;CDPRRURZCUTONB-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278457;MM278457;CCC1(C)C=C(C)C(=N)N1;RJHFPCVUBNYARC-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278458;MM278458;CCC1(C)C=C(C)C(=O)N1;USQICFCIUWNPBB-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278459;MM278459;C=C1OC(C)(CC)C=C1C;IUBSVEAPIGBBIL-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278460;MM278460;C=CC1(C)C=C(C)C(=C)C1;NHMZLLBRGZQYAR-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278461;MM278461;C=C1CC(C)(C=O)C=C1C;QEEDMECHSUBUQZ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278462;MM278462;C=C1CC(C)(C#N)C=C1C;UHXXHAMNSVNXQI-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278463;MM278463;C=CC1(C)C=C(F)C(=C)C1;KXLDFDJCPCHJNE-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278464;MM278464;C=C1CC(C)(C=O)C=C1F;DNLXVRPXIUUTLB-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278465;MM278465;C=C1CC(C)(C#N)C=C1F;REWUQCKUALNDIT-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278466;MM278466;C=CC1(C)C=C(C)C(=O)C1;GBJPCTWLMCBGGI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278467;MM278467;CC1=CC(C)(C=O)CC1=O;UZTTVDYVIYJCHN-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278468;MM278468;CC1=CC(C)(C#N)CC1=O;SMUWDWIYLBDWBR-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278469;MM278469;C=CC1(C)C=C(F)C(=O)C1;IFIVHBSQQXFHPT-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278470;MM278470;CC1(C#N)C=C(F)C(=O)C1;AAFUIXVMUWPHMQ-UHFFFAOYSA-N;139.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278471;MM278471;C=CC1(N)C=C(C)C(=C)C1;UGEQFSRTHFOPMV-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278472;MM278472;C=CC1(N)C=C(F)C(=C)C1;YMXSBXYQLAYVHB-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278473;MM278473;C#CC(=NN)N(N)CCO;ZDDAAKRTKVSZHH-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278474;MM278474;C=C1CC(O)(C=O)C=C1C;SHSKORSVVIPCNH-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278475;MM278475;C=C1CC(O)(C#N)C=C1C;LLXVPCIZORXNHM-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278476;MM278476;C=CC1(O)C=C(F)C(=C)C1;NMEFGEHDQQLAQR-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278477;MM278477;C=C1CC(O)(C=O)C=C1F;HEXQSBQTYGVVPR-UHFFFAOYSA-N;142.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278478;MM278478;C=C1CC(O)(C#N)C=C1F;GELLPGGVXRLBSM-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278479;MM278479;C=CC1(O)C=C(C)C(=O)C1;FNDIPSPIZVJQHV-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278480;MM278480;CC1=CC(O)(C=O)CC1=O;DBXPKCOMTXNTOZ-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278481;MM278481;CC1=CC(O)(C#N)CC1=O;HDRCISWXVYLKTN-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278482;MM278482;C=CC1(O)C=C(F)C(=O)C1;IBUKJEDGGWNNNW-UHFFFAOYSA-N;142.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278483;MM278483;C=CC1(F)C=C(C)C(=C)C1;CXARYIFFBWLJGO-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278484;MM278484;C=C1CC(F)(C=O)C=C1C;CYCWTVMRCRMEDU-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278485;MM278485;C=CC1(F)C=C(F)C(=C)C1;VOHZGHYYRMAKRV-UHFFFAOYSA-N;142.15;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278486;MM278486;C=C1CC(F)(C=O)C=C1F;ABVJAURHWBYLHY-UHFFFAOYSA-N;144.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278487;MM278487;C=CC1(F)C=C(C)C(=O)C1;YEGXOPFOMCBNGJ-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278488;MM278488;CC1=CC(F)(C=O)CC1=O;AKIMYQUSVAQJJR-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278489;MM278489;C#CCC(=C)COCC=O;STSDKUMTQQEJDT-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278490;MM278490;C#CCC(=C)COCC#N;ZJPQVIIQEARBRN-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278491;MM278491;C#CCC(=O)COCC=C;VFHAMRDLZISSNY-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278492;MM278492;C#CCC(=C)CONC=N;MQGVMVSGCXMGQH-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278493;MM278493;C#CCC(=N)NCCC#N;BZVUNPWMFXVUAF-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278494;MM278494;C#CCC(=O)NCCC=O;WKSJXIVQGOKANT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278495;MM278495;C#CCC(=O)NCCC#N;JTRZUQXWJAVQLH-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278496;MM278496;C#CCC(=N)NNCC=C;WBCBRYNMUPOLJR-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278497;MM278497;C#CCC(=N)NNCC#N;AOVHBPIBEVRCBI-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278498;MM278498;C#CCC(=O)NNCC=O;BIIBHZHMMGIZGI-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278499;MM278499;C#CCC(=O)NNCC#N;ZNCGGUFLNBJJIO-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278500;MM278500;C#CCC(=C)OCCC=C;XTLYMWGVWDPTCJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278501;MM278501;C#CCC(=C)OCCC=O;JXEXVSUPWPVMAG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278502;MM278502;C#CCC(=O)OCCC=C;FGJHCNGSUAEIPC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278503;MM278503;C#CCC(=O)OCCC=O;LIEYLQRRDGSJMP-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278504;MM278504;C#CCC(=O)OCCC#N;PEVNXSNVZPENQW-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278505;MM278505;C#CCC(=O)OCON=C;IZNKNAZTBNVIGE-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278506;MM278506;C#CCCCC(=C)CC#C;ZTSJWSWRNSZSKV-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278507;MM278507;C#CCNCC(=C)CC#C;METOUVJTGLCDDK-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278508;MM278508;C#CCOCC(=C)CC#C;QQTRWGGAGCFGER-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278509;MM278509;C#CCCNC(=O)CC#C;DUKALOUDKXLWIG-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278510;MM278510;CC=CCCC(C)CCC;IFTVAJWOTHCTLM-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278511;MM278511;CC(CCN)CCC=CF;QWUKDWXPIITODZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278512;MM278512;CC=CCCC(N)CCC;UJWMBPSAANMFDL-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278513;MM278513;NCCC(N)CCC=CF;WRTNCOZOIKRDED-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278514;MM278514;NC(CCF)CCC=CF;QMDSDNLMGNFNIG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278515;MM278515;CC=CCCC(O)CCO;ROUYTKGZKZRBRO-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278516;MM278516;CC=CCCC(O)CCF;UOFNCWCXAURYOK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278517;MM278517;CC=CCCC(F)CCN;CURDQVSHQLNMPN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278518;MM278518;NCCC(F)CCC=CF;HGBJLAXTJAPWHD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278519;MM278519;O=c1cc(C2CN2)ocn1;DZUWOBHZXQNUFK-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278520;MM278520;CCCC(O)CCC=NO;RKDSOFYMGQSGAH-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278521;MM278521;CCCC(F)CCC=NN;TXGDCEFYGZXPPJ-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278522;MM278522;CCCC(F)CCC=NO;QVIHSZRDUSRCAH-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278523;MM278523;NCCC(F)CCC=NO;BGSVZGJXHOHHFY-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278524;MM278524;CNCC(C)CCC=CF;VBXPDKXUDJNLSX-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278525;MM278525;CNCC(F)CCC=CF;WWXNWPPQPHNVLV-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278526;MM278526;C=C(C=CF)C(N)=O;IVTOIMZHOAZOFK-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278527;MM278527;CN=CNCC(C)CCN;DAFRRLIELAUUEM-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278528;MM278528;CC(CCN)CN=CNO;KQVYVTOEUQMAJC-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278529;MM278529;CC(CCO)CN=CNN;PZGAESXCFBZMII-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278530;MM278530;CN=CNCC(N)CCN;IJCKAMOKDYOJAF-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278531;MM278531;NCCC(N)CN=CNO;NWLOBKKNOMLYQM-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278532;MM278532;CN=CNCC(N)CCO;AKTGQPIPGOOHHY-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278533;MM278533;NCCC(O)CN=CNO;MXNNZENMIHZPKE-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278534;MM278534;NCCC(F)CN=CNO;BJVSTWSZHQXDRU-UHFFFAOYSA-N;149.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278535;MM278535;CNC=NCC(N)CNC;IGOKYHPIPJJYHQ-UHFFFAOYSA-N;144.22;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278536;MM278536;CNC=NCC(O)CNC;XPGOLMDLDFTTQV-UHFFFAOYSA-N;145.21;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278537;MM278537;CNC=NCC(N)COC;IASBPKXEZDHYIZ-UHFFFAOYSA-N;145.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278538;MM278538;CC=NNCC(C)CCC;KYLWSRKSPGOMBW-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278539;MM278539;CC=NNCC(C)CCN;OFKQLPXQBWANLR-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278540;MM278540;N=C1CN(C=O)C=N1;FTMVANQLISHGPI-UHFFFAOYSA-N;111.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278541;MM278541;CC=NNCC(N)CCC;TYJZHLHQAKEFDD-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278542;MM278542;C=NOCCNC=O;QOVGWOTWPCBXRT-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278543;MM278543;CCc1[nH]ncc1C;YYDZHYMVZQJYLK-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278544;MM278544;CC=NNCC(F)CCC;RANBKSVAVZMRRX-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278545;MM278545;CC=NNCC(C)CNC;PPGHMMFEZHUSNL-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278546;MM278546;CC=NNCC(C)COC;ROOBUEGQYNXSGG-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278547;MM278547;CCCC(C)COC=CF;CTSQNPMJOACMBA-UHFFFAOYSA-N;146.21;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278548;MM278548;CC=COCC(C)CCN;IRVQLCSPOQYFIC-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278549;MM278549;CC=COCC(C)CCO;DIYWDSCLPTWXHY-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278550;MM278550;NCCC(N)COC=CF;WCONURHDEGQUHA-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278551;MM278551;CC=COCC(N)CCF;VSJUDRRLUYVSIH-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278552;MM278552;NC(CCF)COC=CF;ZEZMNIDJGZWJDZ-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278553;MM278553;CC=COCC(O)CCC;IIZSUOWHHBXGAB-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278554;MM278554;CCCC(O)COC=CF;NNFPEGVIYOOPRN-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278555;MM278555;CC=COCC(O)CCO;WOTPMTTVANOMBC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278556;MM278556;OCCC(O)COC=CF;ARMPXOMHRSGFST-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278557;MM278557;CC=COCC(F)CCC;HFNQKHGOSYILPS-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278558;MM278558;NCCC(F)COC=CF;JJGRUJFRZPCFKD-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278559;MM278559;OCCC(F)COC=CF;FBBIIQWPDGPLLU-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278560;MM278560;NC(CCO)COC=NO;AIJRVPZRXDAJIW-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278561;MM278561;NCCC(O)COC=NO;VAYBIOCTEJZDDD-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278562;MM278562;CC(=O)NC(C)C=NN;ACOJWMHSAUCCON-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278563;MM278563;CNCC(O)COC=CF;AUPGFESQBYUSQM-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278564;MM278564;CNCC(F)COC=CF;SZIFWJUZXNTYIQ-UHFFFAOYSA-N;151.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278565;MM278565;CNCC(O)COC=NN;HFNWMKVLYJXRSP-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278566;MM278566;CNCC(O)COC=NO;LYYOTNQWNLQDFY-UHFFFAOYSA-N;148.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278567;MM278567;CC=COCC(N)COC;GRKRWBYZSYWZGM-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278568;MM278568;CC=COCC(O)COC;NFSYVJAKZKQATN-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278569;MM278569;COCC(N)COC=NO;ZNILFDUPRPIRAX-UHFFFAOYSA-N;148.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278570;MM278570;CC(=NN)N(C)C(N)=O;AAKFSJKOSVFPAE-UHFFFAOYSA-N;130.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278571;MM278571;COCC(O)COC=NO;OGLOGGUAFCTTDX-UHFFFAOYSA-N;149.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278572;MM278572;CC=NOCC(N)CCC;YFRCMJZIRDDCFX-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278573;MM278573;CC(=COC=O)C(N)=O;JYBCODNQWWOOSP-UHFFFAOYSA-N;129.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278574;MM278574;CC=NOCC(O)CCN;PVMXCZKYBQAWPV-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278575;MM278575;CC=NOCC(F)CCC;XAYDBURBBOTCRQ-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278576;MM278576;CC=NOCC(O)CNC;LHRHPFDSIWNWAR-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278577;MM278577;CC=NOCC(N)COC;BMHYRWRKPSIRHN-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278578;MM278578;CC=NOCC(F)COC;OZTLOPKEMXSKCQ-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278579;MM278579;CC=CCCC(C)NCC;XAENUCHRTIRCSW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278580;MM278580;CCNC(C)CN=CNN;XKWFECNJQXILIN-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278581;MM278581;CCNC(C)CN=CNO;UYCCNIBOTOSVFF-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278582;MM278582;CC=NNCC(C)NCC;RAJKFFHLNAKPRC-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278583;MM278583;CCNC(C)COC=CF;KFYMOTIGOIODJM-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278584;MM278584;CCOC(C)CN=CNC;BAFGWGBZWBNKLX-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278585;MM278585;CC=COCC(C)OCC;PUXLKWYDXWJERY-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278586;MM278586;CCOC(C)COC=NO;ZVPUGPNRKYSJOY-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278587;MM278587;CC=CCNC(C)CCC;BESOECNZOWYNEX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278588;MM278588;CCCC(C)NCC=CF;LKJCJONZJUHILB-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278589;MM278589;CC(CCF)NCC=CF;RZTPHTKIVKPUDU-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278590;MM278590;CCCC(C)NN=CNC;HJDYQSOWKUULTR-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278591;MM278591;CN=CNNC(C)CCN;CWRJIZNATWFFBP-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278592;MM278592;CN=CNNC(C)CCF;IZVCVTPUURAEQC-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278593;MM278593;CNCC(C)NN=CNO;KXCDKHIPKRZQSE-UHFFFAOYSA-N;146.19;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278594;MM278594;CC=CCOC(C)CCN;RTMNKDIBUKTPER-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278595;MM278595;CCCC(C)OCC=NN;ZJFLWVZQIINYGY-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278596;MM278596;CC(CCN)OCC=NO;SJTLWTXGMCZVET-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278597;MM278597;CC(CCO)OCC=NO;HXUBYVUPRDENCT-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278598;MM278598;CNCC(C)OCC=NN;PQGOMRAZBZXSMG-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278599;MM278599;CCCC(C)ON=CNN;YOGKNGHXHIRAPT-UHFFFAOYSA-N;145.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278600;MM278600;CN=CNOC(C)CCN;UPYYZJBRDPMHNP-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278601;MM278601;CN=CNOC(C)CCO;HNQORHPZOAKJQO-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278602;MM278602;Cc1c(N)[nH]c(F)c1C;DNAUZXNLLKLHBA-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278603;MM278603;CNCC(C)ON=CNO;JQPAILCYHAFCQU-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278604;MM278604;CCOC(C)OCC=NN;NCVLHZNIQPAGTC-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278605;MM278605;CCOC(C)OCC=NO;VKRVUGAFOQHSJW-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278606;MM278606;CC=CCCN(C)CCC;XOEMDHCDWIMECZ-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278607;MM278607;CC=CCCN(C)CCO;NEZLHZYYDXCHDE-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278608;MM278608;CN(CCN)CCC=NO;CXAFZJHHMBKCFA-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278609;MM278609;CN(CCO)CCC=NO;JELSDLDOBYTSKI-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278610;MM278610;C=CCC(C)CCC=CC;KCJYICSSXHRCND-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278611;MM278611;CC=CCCC(C)CC#N;LWDFCYUZOOTTFN-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278612;MM278612;CC(CC=O)CCC=CF;LLEAFNHJVHLZCF-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278613;MM278613;CC(CC#N)CCC=CF;IGVGYEQDBHRGLM-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278614;MM278614;C=CCC(N)CCC=CC;UMQREMOXBWEGEH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278615;MM278615;C=CCC(N)CCC=CF;XOZCYVFLCZQUMX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278616;MM278616;O=CCC(O)CCC=CF;PLMIUNJBDBQITP-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278617;MM278617;C=CCC(F)CCC=CC;DSDJGXGMYPJICZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278618;MM278618;C=CCC(F)CCC=CF;VRYBVGAODLTUBS-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278619;MM278619;CC=CCCC(F)CC=O;OEJVJFKMNSPSAO-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278620;MM278620;C=CCC(C)CCC=NN;KMZBRMSFOFGHGP-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278621;MM278621;CC(CC=O)CCC=NO;QLZNLTHSQGEMJS-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278622;MM278622;CC(CC#N)CCC=NO;KVBZAWZWYYLDHC-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278623;MM278623;N#CCC(O)CCC=NO;LKJJFZOTCXSBKT-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278624;MM278624;C=CCC(C)CNC=NC;QKQVRMKVAOSZFT-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278625;MM278625;CN=CNCC(C)CC#N;ILFKSFVVYQKSJE-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278626;MM278626;C=CCC(N)CNC=NC;QMTUMIJUKCBRJR-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278627;MM278627;CN=CNCC(F)CC=O;QWMNEFQWVAYCNF-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278628;MM278628;CNn1cc(F)c(N)n1;PNMCDAXVTFUCSA-UHFFFAOYSA-N;130.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278629;MM278629;C=CCc1cc(N)n[nH]1;FDBXVZGZYHHBEP-UHFFFAOYSA-N;123.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278630;MM278630;C=CCC(N)CNN=CC;KIXTZCCXTUZUHN-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278631;MM278631;CN=C1CN(C=O)C=N1;LAYSSXVUQNOOFO-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278632;MM278632;CN(N)C=NC(=O)CCO;HZMNIEDGFSYVRG-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278633;MM278633;C=CCC(C)COC=CC;TUHOTOHDKNZZRW-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278634;MM278634;CC=COCC(C)CC=O;QIZUBWDUBOINSA-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278635;MM278635;C=CCC(N)COC=CC;NBSKNRGYQNQYSA-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278636;MM278636;C=CCC(O)COC=CC;HDMDXIRBYXKCGH-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278637;MM278637;CC=COCC(O)CC#N;IILJXJCJRWKOEF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278638;MM278638;N#CCC(O)COC=CF;KYOCGHGWAJJWSH-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278639;MM278639;C=CCC(O)COC=NO;GLXSARGZQFUCOF-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278640;MM278640;N#CCC(O)COC=NO;XCMOHADTHHRZLQ-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278641;MM278641;C=CCC(C)CON=CC;WMJXZRHDNDQEPW-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278642;MM278642;CCCC(C#N)=CC(N)=O;UDKIUCRMKNRJCE-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278643;MM278643;CC=NOCC(C)CC#N;NGHXWCPNOIZJQX-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278644;MM278644;CC(C)C(C#N)=CC(N)=O;OOYJTLNQWOUCAJ-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278645;MM278645;C=CCC(F)CON=CC;CESDJMLINZIKBS-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278646;MM278646;CC=NOCC(F)CC#N;FDBOQVKQXKPZQA-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278647;MM278647;CC=CCCC(C)NC=N;NBHTZCDGUAOFKK-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278648;MM278648;CC(CCC=CF)NC=N;JZTXUWWVBRLHJE-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278649;MM278649;C=CC(=NN)N(C)C(N)=O;ZFJZGCOVQCGMIY-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278650;MM278650;CC(CCC=NN)NC=N;VKAISQKNUGSMFE-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278651;MM278651;C=NNC(C)CCC=CC;HJGODMKWURATOA-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278652;MM278652;C=NNC(C)CCC=NN;GQXMLUKMAMTUKL-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278653;MM278653;CC(CN=CNO)NC=N;XUCHGVTWCAAAFC-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278654;MM278654;C=NNC(C)CNC=NC;NBOLTNZERQRVBZ-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278655;MM278655;CC=NNCC(C)NC=N;YESJRRNEMGOIGW-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278656;MM278656;CC=COCC(C)NC=N;HSNSIOMFDIWIDJ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278657;MM278657;C=C(C#CC=CC)C(N)=O;XQZWQCAEEQKJCK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278658;MM278658;CC(COC=CF)NC=O;DHUKXBPVGPMOFM-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278659;MM278659;C=NNC(C)COC=CC;YJIQBRUMUZOSKX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278660;MM278660;C=NNC(C)CON=CC;BYUHKYPRBSSGIV-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278661;MM278661;CC=CCCC(C)OC=O;IZPKWQNMZXCNJV-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278662;MM278662;CC(CCC=NN)OC=O;FKGWDMPCSQBGDJ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278663;MM278663;C=NOC(C)CCC=CC;HLFDPJHLHSWJBE-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278664;MM278664;CCCC(C(N)=O)=C(C)F;GORBTNCHSCLRFZ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278665;MM278665;C=COC(C)CNC=NC;FLBSTZGUSIMNTJ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278666;MM278666;CC=NNCC(C)OC=O;CZASUPPHMJHIJN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278667;MM278667;C=NOC(C)CNN=CC;HEFFVEOBVKOGFR-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278668;MM278668;C=COC(C)COC=CC;IXVPGOIEWHWTQT-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278669;MM278669;C=COC(C)COC=NO;RVXWMONFVFVXKN-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278670;MM278670;C=NOC(C)COC=CC;YYGZXMINIQXMCQ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278671;MM278671;C=CCC(C)NCC=CF;GSTYHNLILVXJNJ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278672;MM278672;CC(CC=O)NCC=CF;GYJAGLWSMJMMHG-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278673;MM278673;C=CCC(C)NCC=NO;CUAVWGNUWIYMTE-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278674;MM278674;N=C(N)n1oc(=O)oc1=O;HHHFOZWOPJPFMD-UHFFFAOYSA-N;145.07;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278675;MM278675;CNC(=O)C(C)=C(N)C=O;FUUDSKWCPNJOFC-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278676;MM278676;C=CCC(C)OCC=CC;VKKSGISUJDPUCT-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278677;MM278677;CC=CCOC(C)CC=O;LZMWYHZPWCWBML-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278678;MM278678;C=CCC(C)ON=CNN;SMQMLONDQTYDBP-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278679;MM278679;C=COC(C)OCC=CC;UQZPWCKVTFAQKL-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278680;MM278680;C=COC(C)OCC=NN;XNUDQBKGKVATMC-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278681;MM278681;CC=CCCN(C)CC#N;MTTNTAYHOWSZSZ-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278682;MM278682;C=CCN(C)CCC=NN;FNBYPHNUTQVIQC-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278683;MM278683;CN(CCC=CF)NC=N;XPBNTGYJNPFHQB-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278684;MM278684;C=CC#CC=CC(=O)NC;SIWBKKYGHJGNHV-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278685;MM278685;C#CCC(C)CCC=CC;KDAKMPAWCGOBLR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278686;MM278686;C#CCC(C)CCC=CF;GQYNHFXQSIEJDN-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278687;MM278687;C#CCC(N)CCC=CC;WQYNCGCRYFEPHA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278688;MM278688;COC(CC=NN)C(N)=O;KATLJVFCDSTHOO-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278689;MM278689;C#CCC(F)CCC=CC;BLESVVAFEPODRV-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278690;MM278690;C#CCC(F)CCC=CF;GTEYCMNEUODKGL-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278691;MM278691;C#CCC(C)CCC=NN;LRRVFGBWJZRNCA-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278692;MM278692;C#CCC(C)CCC=NO;ICYGPOSUKHWUHL-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278693;MM278693;C#CCC(O)CCC=NO;VJHVJDLRSAWHHQ-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278694;MM278694;C#CCC(F)CCC=NO;CECSNLLGXMVCKL-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278695;MM278695;C#CCC(C)CNC=NC;BCPBBUUICGMXAF-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278696;MM278696;C#CCC(C)CN=CNN;ZUKQLSVCPCTDMO-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278697;MM278697;C#CCC(F)CNN=CC;VBEYNYUFJJOLKX-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278698;MM278698;C#CCC(C)COC=CC;JHCJJRMDNLTZEA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278699;MM278699;C#CCC(C)COC=CF;GCNULKMDFDSOHO-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278700;MM278700;C#CCC(F)COC=CF;XZLVCZRQKXBPRJ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278701;MM278701;C#CC(C#N)N(CC)N=C;UHBLBEVIBAMGRL-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278702;MM278702;C#CCC(N)COC=NO;XYWKCTBWOBPOFM-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278703;MM278703;C#CCC(O)COC=NO;KXZHADNSPDSNTK-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278704;MM278704;C#CCC(C)CON=CC;CVWBMGSHDYMSIW-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278705;MM278705;C#CC(C#N)N(C)N=CC;SQIASNJPMSSZOV-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278706;MM278706;C#CCC(C)NCC=CC;XXVBWFRDCDPRDH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278707;MM278707;C#CCC(C)NCC=CF;CWKIIUFAYHJJFD-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278708;MM278708;C#CCC(C)OCC=CC;MRHZGQUJLPCEIB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278709;MM278709;C#CCC(C)OCC=CF;YCTDKNWTWVYMRL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278710;MM278710;C#CCC(C)OCC=NN;GVATWKODFIZWSK-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278711;MM278711;C#CCN(C)CCC=CC;YLVXGWIUWJKIRV-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278712;MM278712;C=C(CCC)CCC=CF;IEQCJSVDXHSICS-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278713;MM278713;C=C(CCN)CCC=CC;RZABEBQGPYHQGU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278714;MM278714;C=C(CCN)CCC=CF;APEAVKNACJECLI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278715;MM278715;CNc1ncc(C=O)cn1;FYDLRGFOAYUXIT-UHFFFAOYSA-N;137.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278716;MM278716;C=C(CCC)CCC=NN;ZJQPTIILDVGLHA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278717;MM278717;C=C(CCC)CCC=NO;VDVCSDZROUBPTF-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278718;MM278718;CCCC(=O)CCC=NO;IIUSJJXOTIROPW-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278719;MM278719;C=C(CCC=CF)CNC;WMUVSZLBFWWEMZ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278720;MM278720;CC=CCCC(=O)CNC;RNCVHBBVDRISBT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278721;MM278721;CC=CCCC(=O)COC;ZROCFNSCNXUJMV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278722;MM278722;C=C(CCO)CNC=NC;PRWBNJJCOKSTCX-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278723;MM278723;C=C(CCF)CNC=NC;NHCLUCGIQTXQES-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278724;MM278724;C=C(CN=CNN)CNC;PAVAUHOROQCDEK-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278725;MM278725;C=C(CN=CNO)CNC;KJXQZOBJRIPKSR-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278726;MM278726;NC=C(C=CF)C(N)=O;DZCXXNPKSQQMRC-UHFFFAOYSA-N;130.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278727;MM278727;N=CNc1cc(N)on1;IUXCFYNCJURGOC-UHFFFAOYSA-N;126.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278728;MM278728;C=C(CCN)COC=CC;VRPRZGKMAKLGCF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278729;MM278729;CC=COCC(=O)CCC;SEVQAITZSYYOHR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278730;MM278730;CCCC(=O)COC=CF;LBMGLXNIMJUUMD-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278731;MM278731;C#CC(C#N)N(C)N=C;HSBQPEXLDVOQIZ-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278732;MM278732;C=C(CNC)COC=CC;CPLSYZDQRYHFCH-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278733;MM278733;C=C(COC)COC=CC;AOWFLWBLHOPMMH-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278734;MM278734;COCC(=O)COC=CF;UKEZZXYCECBVKN-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278735;MM278735;COCC(=O)COC=NO;YTMKYQAZOGFTSF-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278736;MM278736;CC=CCCC(=N)NCC;PHWXCONSQPZXKB-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278737;MM278737;NNc1cc(CF)on1;UWZTXYNIMMOTPD-UHFFFAOYSA-N;131.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278738;MM278738;CC1C(CF)C1NC=O;WWPZMFNXFMKTLS-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278739;MM278739;CNNC(=N)CNC=NN;QPCMOEVDWCJYSV-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278740;MM278740;C=CC=COCC(=O)O;PCTOETHPOGHHKU-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278741;MM278741;CC=COCC(=N)NCC;JFCMDDNFIDGMDC-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278742;MM278742;CCNC(=O)COC=CF;UGYMLCHLYSAWDP-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278743;MM278743;CCNC(=N)COC=NO;WIYJLYLMZDJYBI-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278744;MM278744;CCNC(=O)COC=NO;QJIZMFGRSJAZCN-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278745;MM278745;CNNC(=N)COC=NO;GKWCANQJHLWNPF-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278746;MM278746;CC(=NN)C(F)(F)CCO;MGZIVOBGMWQNQQ-UHFFFAOYSA-N;152.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278747;MM278747;CNNC(=O)COC=NO;CHFQWLIAZOOWTG-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278748;MM278748;O=C(O)C=CC1CO1;DQMHLATYRAKWIQ-UHFFFAOYSA-N;114.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278749;MM278749;N=C(C=O)NC(=O)C=O;AQUSIQCAKZRHOE-UHFFFAOYSA-N;128.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278750;MM278750;O=CN=c1[nH]c(=O)[nH]o1;DNPLTHGCHBWSOF-UHFFFAOYSA-N;129.08;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278751;MM278751;CC=CCCC(=O)OCC;RBJLHYGZMJNFBK-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278752;MM278752;CCOC(=O)CCC=CF;MXVPMXWRPTVADF-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278753;MM278753;CC(F)=COC=CC(N)=O;QBOKZDVVKDRCKO-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278754;MM278754;C=C(CC(F)CF)C(N)=O;IFSIRDIUMQMKOU-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278755;MM278755;C=C(COC=NO)OCC;DXYALAVQFZBZSB-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278756;MM278756;CC=CCNC(=N)CCN;RNGZIMYNWDTPRF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278757;MM278757;N=C(CCO)NCC=CF;AUEGBVRZOGZGKY-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278758;MM278758;CC=CCNC(=N)CCF;FOIRVIWZKCXVCH-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278759;MM278759;CCCC(=O)NCC=CF;DSGZIIJLSKLBBG-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278760;MM278760;CCCC(=O)NCC=NO;DPAKGLUFPFMWPS-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278761;MM278761;CNCC(=N)NCC=NO;MDZSFBLUIAQJMI-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278762;MM278762;CNCC(=O)NCC=NO;QGXLBUSLBUXZCK-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278763;MM278763;COCC(=N)NCC=NN;MYBSIRRQUZIOFH-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278764;MM278764;COCC(=N)NCC=NO;VHVRIBFUHFOQGX-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278765;MM278765;CCCC(=N)NNC=NC;IHEZQJDCRRNJDF-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278766;MM278766;CN=CNNC(=N)CCO;ANNNRHJNQIFSTC-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278767;MM278767;C=NOC(C)CNC(C)=O;BUJKHTMIUBSYMQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278768;MM278768;O=C(CCO)NN=CNO;VOTAZRVQSIHXCK-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278769;MM278769;C=NNC(=N)C#CCCO;FFUPAFMZGJCPBN-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278770;MM278770;COCC(=O)NOC=NN;UWTGYBUDQJCQGO-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278771;MM278771;O=C(O)C=C(CO)CO;LAENMDGNBFPOOY-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278772;MM278772;CC=CCNC(=N)NCC;VJXHNSYSOPRJMF-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278773;MM278773;CCNC(=N)NCC=NN;OIASEHPPJQBEKI-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278774;MM278774;CCNC(=N)NCC=NO;PHLSMIMLXRKMNZ-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278775;MM278775;CC(OCC=NN)C(N)=O;DBXSSTRZEWXOMC-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278776;MM278776;CN(C(=N)C=CN)C(N)=O;MAKYAIBJCKDHTH-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278777;MM278777;CNNC(=O)NCC=NO;DVDHQKZRLDHJKU-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278778;MM278778;CONC(=N)NCC=NN;YSOWWIUJXROATQ-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278779;MM278779;CONC(=N)NCC=NO;DTVLFMGOXNTZIC-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278780;MM278780;CCCC(F)=C(C)C(N)=O;IEFGHYIKRJRGBG-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278781;MM278781;CCNC(=O)NN=CNO;SRUTXYRQTPEOGZ-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278782;MM278782;C=CCC(=O)CN1CC1C;CKTVWFUGSYZJNM-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278783;MM278783;CCNC(=N)NOC=NN;BNIPVNSFCJBORA-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278784;MM278784;CNNC(=N)NOC=NN;JNAADZUJIXCDAX-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278785;MM278785;CNNC(=N)NOC=NO;ZYLRGMUTXIEFHQ-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278786;MM278786;N#CC(=N)NC(C=O)CF;ANXBUKFFQYKYRF-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278787;MM278787;CNNC(=O)NOC=NO;NCMIIGIPVAZYPQ-UHFFFAOYSA-N;148.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278788;MM278788;CONC(=O)NOC=NN;PJPBROOZWMLIDG-UHFFFAOYSA-N;148.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278789;MM278789;CC=CCNC(=N)OCC;WCICEWFPHWTUMR-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278790;MM278790;CCCOC(=O)CC=NN;DNMBHIKVCPZBBA-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278791;MM278791;C=CC#CC(C#N)ON=C;HQNGBLNZVKPSDG-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278792;MM278792;C=NN(C=N)C(=O)CCO;IFKUPWYMANDNDT-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278793;MM278793;C#CC1(C#C)NC1CC=O;AJDWXIWGPWLFEF-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278794;MM278794;CCOC(=O)NOC=NN;GPKLHYNTPWVYTF-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278795;MM278795;CC=CCOC(=O)CCC;RTMMLEZUIUUHHW-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278796;MM278796;CCCC(=O)OCC=CF;WYMRFJUZCIQSRJ-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278797;MM278797;CC=CCOC(=O)CCN;WZZDWWRNFHDCLJ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278798;MM278798;C=C(CCC)OCC=NN;FLAVYPFVADUJAO-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278799;MM278799;CCCC(=O)OCC=NN;GOEXFBIQSFREML-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278800;MM278800;C=CCC(=O)C=NN1CC1;MURYJHBPOFERHF-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278801;MM278801;NC(=O)CN(N)C=O;PLOMQSUUNHBJSL-UHFFFAOYSA-N;117.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278802;MM278802;CN(N)C(=O)CCO;DIARLNGINSRPNV-UHFFFAOYSA-N;118.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278803;MM278803;CN=CN(C)C(N)=O;RSWVQGVBLDJQMS-UHFFFAOYSA-N;115.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278804;MM278804;CCNC(=N)OCC=NN;OZICNPQXCWNAAS-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278805;MM278805;Nc1nn(N)cc1F;FIEORYUMPUSZRN-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278806;MM278806;CC(=O)C(=O)C1CN1;ZCKZRWBPBGJAHV-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278807;MM278807;C=CCC(=C)CCC=CC;YGXAKEZYYHUAGS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278808;MM278808;C=CCC(=C)CCC=CF;QWXUTMMAWSZNLO-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278809;MM278809;C=C(CC=O)CCC=CC;WVXDDVGSCXJKNV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278810;MM278810;C=C(CC#N)CCC=CC;VMUOCAGCQGQRIM-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278811;MM278811;C=C(CC=O)CCC=CF;KTPCYHCIJVHGER-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278812;MM278812;C=C(CC#N)CCC=CF;TUUCZUCQLRDQMW-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278813;MM278813;C=CCC(=O)CCC=CC;ICALSLKKUQTEOL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278814;MM278814;C=CCC(=O)CCC=CF;DVGJPNZVBFLQSO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278815;MM278815;C=CCC(=C)CCC=NN;HEOYBMLXRRMRSD-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278816;MM278816;C=CCC(=C)CCC=NO;YQROTXHRZAZJCZ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278817;MM278817;C=CCC(=O)CCC=NO;SPPHZUNGWJKZFG-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278818;MM278818;N#CCC(=O)CCC=NO;NZSGNRAGYVSROR-UHFFFAOYSA-N;140.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278819;MM278819;NC(=O)C=C(N)CCO;JWVUDQSFQQMGQF-UHFFFAOYSA-N;130.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278820;MM278820;COC(C=O)=CC(N)=O;TUGUKYSGMRPUIO-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278821;MM278821;C#CC=CC(=O)NCC;XNMHGNIHKCJUFH-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278822;MM278822;C=CC(=N)N(C)C(N)=O;NQTQVXVWMGBPSA-UHFFFAOYSA-N;127.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278823;MM278823;CCN(N)C(=O)CCO;CGTLZMNJDZPTLC-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278824;MM278824;C=CCC(=O)COC=CC;YAFIQFQLNCRUON-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278825;MM278825;C=CCC(=C)COC=NO;KIOAYIJSVBUZFG-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278826;MM278826;CNN(C)C(=O)CCO;QLEZHAVNBFLVOD-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278827;MM278827;C=C(CC#N)CON=CC;HEUFSKDAXSDUOD-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278828;MM278828;CN(C=N)C(=O)CCO;RIUMAUMIMUYEDB-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278829;MM278829;C=C(CCC=CC)NC=N;QBUMDYLNIAHBOE-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278830;MM278830;CC=CCCC(=N)NC=N;MCMAGDZMNJWAKN-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278831;MM278831;C=CN(N)C(=O)CCO;NGKZUSVVUFPLPS-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278832;MM278832;N=CN(N)C(=O)CCO;SRYANEFQITWMJZ-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278833;MM278833;NN(C=O)C(=O)CCO;PAAKUKAELKINMC-UHFFFAOYSA-N;132.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278834;MM278834;C=C(CCC=NN)NC=N;YULGQBCTGSBYFA-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278835;MM278835;C=NN(C)C(=O)CCO;OQKGZSYVDGUDLR-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278836;MM278836;C=C(CCC=NO)NC=O;MACRFNZNVHAEJK-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278837;MM278837;N=CNC(=N)CCC=NO;SHMTZLHKCBWERR-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278838;MM278838;CC=CN1C=NC(=N)C1;QNQIKLGVXYGEEV-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278839;MM278839;N=CNC(=O)CCC=NO;MWMZHTHGZHKUJQ-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278840;MM278840;Nc1c[nH]c(NC=O)c1;PQGNHVVCMINEKQ-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278841;MM278841;C=C(CNC=NN)NC=N;QXNCYBWGGCFOJS-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278842;MM278842;C=C(CNC=NO)NC=N;XKFXKWBIIWJTTN-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278843;MM278843;N=CNC(=N)CNC=NN;KJWHWTBMJWYYHZ-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278844;MM278844;N=CNC(=N)CNC=NO;TYIVKGFSASQDDZ-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278845;MM278845;C=CNC(=O)CNC=NC;JWXFLAWYAZJVDA-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278846;MM278846;C=CC1CNC(=N)C1=O;BQFWKUYHOJXBQF-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278847;MM278847;C=Cc1onc(N)c1N;KBZGZRHYAQIBFJ-UHFFFAOYSA-N;125.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278848;MM278848;CC=NNCC(=N)NC=N;JOHWMLVHXNQZKN-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278849;MM278849;COc1[nH]nc(C)c1N;KRMUFKTVDVQPTP-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278850;MM278850;C=C(COC=CC)NC=N;UNLNMZAMVAWOTO-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278851;MM278851;C=C(COC=CF)NC=N;XVCLPIDMYDNPED-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278852;MM278852;C=C(COC=CC)NC=O;CONJVGBTEBGZDW-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278853;MM278853;C=CNC(=N)COC=CC;RXECQCFLCIWGBD-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278854;MM278854;N=CNC(=N)COC=CF;LNOAIXNIJSJDFF-UHFFFAOYSA-N;145.14;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278855;MM278855;CC=COCC(=N)NC=O;XPLPKYVTFYPPIY-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278856;MM278856;C=NNCC(F)(F)CCO;UWJHDASINNJVSB-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278857;MM278857;N=C(COC=NN)NC=O;XHCKZSIWSZHIDU-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278858;MM278858;N=C(COC=NO)NC=O;AYDQTLVVQLRGJI-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278859;MM278859;C=C(C#N)C=C(C)C(N)=O;SLOGSBFOGXTPQW-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278860;MM278860;N=CNC(=O)COC=NO;HEUFRHIRCAWKSG-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278861;MM278861;NN=COCC(=O)NC=O;ZKYZRSYDGLIHQQ-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278862;MM278862;O=CNC(=O)COC=NO;AQQMCTLHWSYYKJ-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278863;MM278863;C=NNC(=O)COC=CC;NQCISEFQTVVVFE-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278864;MM278864;C=NNC(=O)COC=NO;IABBZLHIUAVCDD-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278865;MM278865;C=C(CON=CC)NC=N;CVHCXUWOIXDTDU-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278866;MM278866;CN(C)N=CC(F)CC=O;JTFCYWYXSPPKSR-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278867;MM278867;N#CC=C(N)C#CC(F)F;FTGLMQDMSBFQOW-UHFFFAOYSA-N;142.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278868;MM278868;CC(=CF)OC=CC(N)=O;GKDXQHHXHDIXJR-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278869;MM278869;C=COC(=O)CCC=CC;BYZRZIURCIBYSP-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278870;MM278870;C=COC(=C)CCC=NN;PFMGXQJSSHJZIN-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278871;MM278871;C=COC(=C)CCC=NO;KFEYKVIFADPSRC-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278872;MM278872;C=COC(=O)CCC=NO;KTZUVFFRXFPIFH-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278873;MM278873;C=COC(=C)CNC=NC;ILCJSTPZYBXHSF-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278874;MM278874;C=C(CNC=NC)OC=O;FCOYLSSBGQPLPJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278875;MM278875;C#CC(=CC(N)=O)OCC;FDWUMRMYDCUVJT-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278876;MM278876;C=C(COC=CC)OC=O;RSXMDSBIFUVTJL-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278877;MM278877;C=C(COC=CF)OC=O;ZSFKTKIRGZSHCN-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278878;MM278878;C=COC(=O)COC=CF;LYDFLRAGIQDCDX-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278879;MM278879;CC(C)CC(=CF)C(N)=O;ODRIVSVOQPLOGI-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278880;MM278880;C=COC(=C)COC=NO;KSYZDKCJMYVSTN-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278881;MM278881;C#CC(=CC(N)=O)C(C)F;QXVISBGGKIAVRF-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278882;MM278882;C=NOC(=O)COC=CC;JCYMZDYBVQXPHU-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278883;MM278883;C=COC(=C)CON=CC;ZEYYUURCPMDYTG-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278884;MM278884;C=CCC(=N)NCC=CC;RECXJAOHBXTBAG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278885;MM278885;CC=CCN=C(N)CC=O;SQNNKHOFASOZGR-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278886;MM278886;N#CCC(=N)NCC=CF;YKXATMZSERYDPT-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278887;MM278887;C=CCC(=N)NNC=NN;AYVBRIQBFCEQND-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278888;MM278888;CN=CNNC(=O)CC#N;LHSOFNCHGSKREQ-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278889;MM278889;C=CNC(=O)NCC=CC;GCUOHZNWRJCTQA-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278890;MM278890;C=CNC(=O)NCC=CF;ONTWZAKMIPDDGY-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278891;MM278891;N=CNC(=N)NCC=NN;KPGXSDVULJUYJE-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278892;MM278892;N=C(NC=O)NCC=NN;LCIRTVIVXZJNOF-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278893;MM278893;NC(=O)CCON=CC=O;AOWZHLGDTNATPB-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278894;MM278894;CN(N=CN)C(=O)CCO;LABJMSXZFMKQHD-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278895;MM278895;N=CNC(=O)NCC=NO;JCXXKZVFEKOZGQ-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278896;MM278896;C=NNC(=N)NCC=NO;DURGWNHFHWLSMB-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278897;MM278897;C=NNC(=O)NCC=NO;ZCVHCPXEWFIZEE-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278898;MM278898;C=CNC(=N)NNC=NN;JPRYFNPKVXIGQU-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278899;MM278899;C=CNC(=N)NNC=NO;JRXOYFLHWREBRL-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278900;MM278900;CN=CNNC(=N)NC=N;ZFZXZXCUTIPWRV-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278901;MM278901;N=CNC(=N)NNC=NN;OSKFAMYCCTUNEQ-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278902;MM278902;N=CNC(=N)NNC=NO;SNZQTHZYMMZBPW-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278903;MM278903;NN(C=CF)C(=O)CCO;SOSHRWXETDITDT-UHFFFAOYSA-N;148.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278904;MM278904;C=CNC(=O)NNC=NO;DEJDXEZPBNDWLC-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278905;MM278905;CN(C)N(C)C(=O)CCO;MQGGFSSHKACMAS-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278906;MM278906;CC(=NN1CC1C)C(N)=O;RYUFYNKWVAGYLE-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278907;MM278907;C=NOCC(CC=O)OC;OWJZNQTWDFBKJW-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278908;MM278908;O=CNC(=O)NNC=NO;RFYMOUITFVBBRZ-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278909;MM278909;C=NNC(=N)NNC=NN;OCUYITUNIMJHCL-UHFFFAOYSA-N;143.15;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278910;MM278910;C=NNC(=N)NNC=NO;VAFWQIJXBNKQIO-UHFFFAOYSA-N;144.14;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278911;MM278911;CCC(N)=C(CF)C(N)=O;HJIJQIQSBIVEKL-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278912;MM278912;C=NNC(=O)NNC=NO;FSNCITIHWUDPJQ-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278913;MM278913;C=CNC(=O)NOC=NN;QLDFEUORKIYRPI-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278914;MM278914;CNC(C(N)=O)=C(N)C=O;HIRFZHIDNORSRV-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278915;MM278915;N=CNC(=O)NOC=NO;FIKKPRDQXNHYQY-UHFFFAOYSA-N;146.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278916;MM278916;NN=CONC(=O)NC=O;PDMXURAYTYFJFP-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278917;MM278917;O=CNC(=O)NOC=NO;FROAJOAENXPNDW-UHFFFAOYSA-N;147.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278918;MM278918;C=NNC(=O)NOC=NO;LCTFYHNAKSBJKR-UHFFFAOYSA-N;146.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278919;MM278919;C#CC(C(N)=O)=C(C)NC;LFMLYVCIWPMWLS-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278920;MM278920;C=NOC(=N)NCC=NN;UWVJZIYVPAENPD-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278921;MM278921;C=NOC(=O)NCC=NO;PKKKTCLSUDWNLG-UHFFFAOYSA-N;145.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278922;MM278922;CCCCC(=CF)C(N)=O;BRLLDVBPVAXWGE-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278923;MM278923;C=NOC(=N)NNC=NC;CAUOXOLBWCGULG-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278924;MM278924;C=NN(CC)C(=O)CCO;ROBXUJGIPKWXJV-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278925;MM278925;CNN(C=N)C(=O)CCO;OZWYZQKLIAWUHO-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278926;MM278926;CNN(C=O)C(=O)CCO;KMELOQQBRTUKLR-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278927;MM278927;C=NOC(=O)NNC=NO;SQGUEWAUSHMQGX-UHFFFAOYSA-N;146.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278928;MM278928;C=CN(C=N)C(=O)CCO;LILRQIYZGFJIQT-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278929;MM278929;N=C(NOC=NO)OC=O;MXDPDESMAVPJFN-UHFFFAOYSA-N;147.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278930;MM278930;C=CCC(=C)OCC=CC;RVRNMMQFCHIWQH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278931;MM278931;C=C(CC#N)OCC=CC;ZTOOSBCZWSJHAM-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278932;MM278932;C=C(CC=O)OCC=CF;FQFNKZVSAALBDR-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278933;MM278933;C=C(CC#N)OCC=CF;BDWXIEHTTDNNJQ-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278934;MM278934;C=CCC(=C)OCC=NN;GJXWYUNKIPXBFY-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278935;MM278935;C=CCC(=C)OCC=NO;RLPSZFMVKKBBPX-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278936;MM278936;N#CCC(=O)ONC=NO;PHPLKUQBWZHUPW-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278937;MM278937;C=C(NC=N)OCC=CC;ARQIWAXAEZMCRY-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278938;MM278938;C=C(NC=O)OCC=CC;QOWQGRBPUUTHAH-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278939;MM278939;N=CN(C=N)C(=O)CCO;ZRUGIIGJEQQJCQ-UHFFFAOYSA-N;143.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278940;MM278940;N=C(NC=O)OCC=NN;CRBVHQISUQZKQG-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278941;MM278941;O=CNCCNN=CCF;DQVZWGSAYRDKGJ-UHFFFAOYSA-N;147.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278942;MM278942;C#CCC(=O)C(=N)N;GYTQUEWGLZPHDR-UHFFFAOYSA-N;110.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278943;MM278943;C=CNC(=O)ONC=NO;ADQBRVQIOVCFJN-UHFFFAOYSA-N;145.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278944;MM278944;N=CNC(=O)ONC=NN;BCETUWZKHSAUKN-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278945;MM278945;O=CNC(=O)ONC=NO;GKMZSOPINXCCCW-UHFFFAOYSA-N;147.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278946;MM278946;C=CN1C=NC(=N)C1;JNTNDADVHCBZRN-UHFFFAOYSA-N;109.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278947;MM278947;C=NNC(=N)ONC=NO;SMHQWJZUCRLMCG-UHFFFAOYSA-N;145.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278948;MM278948;C=COC(=O)OCC=CC;OGFDGBZWPBNRMJ-UHFFFAOYSA-N;142.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278949;MM278949;C#CCC(=C)CCC=CC;ZYCIXAUTPSGPQE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278950;MM278950;C#CCC(=C)CCC=CF;YVRJZXXNMVEJHX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278951;MM278951;C#CCC(=O)CCC=CC;RDGBIBYMSOHIKC-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278952;MM278952;C#CCC(=C)CCC=NN;MNCFFVSBQONZHY-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278953;MM278953;C#CCC(=C)CCC=NO;TYYCCLOXBYHMMW-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278954;MM278954;C=NOCC(=O)CCO;NELZGTWORUESFJ-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278955;MM278955;C#CCC(=C)CNN=CC;UYJAGJZIPLVRCU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278956;MM278956;C=C(COC=O)C(N)=O;JKDAXBACSWMGAB-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278957;MM278957;C#CCC(=C)COC=CF;HLQWIXOPEBXMHH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278958;MM278958;C#CCC(=O)COC=CC;BYKYPGWLNUWNMP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278959;MM278959;C#CCC(=C)COC=NO;XBVYGMFKFRBSSB-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278960;MM278960;C#CCC(=O)COC=NO;OMDRDNMROJDIID-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278961;MM278961;C#CCC(=N)NNC=NN;VDNQGZNRTNVFPO-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278962;MM278962;C#CCC(=O)NNC=NC;SRKDHYJYWXWQNP-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278963;MM278963;C#CCC(=O)NOC=NN;RXAQLOPTKXDXGM-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278964;MM278964;C=C(CNC=O)C(=O)O;VPRZCMLNZKGMRE-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278965;MM278965;C#CCC(=C)OCC=CC;HDXUEWFVUWBAJR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278966;MM278966;C#CCC(=C)OCC=CF;MPIZAVSWBRDULS-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278967;MM278967;C#CCC(=O)OCC=CF;FJZPEPKOGDBHAK-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278968;MM278968;C#CCC(=O)OCC=NN;VKLSSMYMAWZDAA-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278969;MM278969;CC#CCCC(C)CCN;MADYHCAKCWNTOY-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278970;MM278970;CC#CCOC(C)CCN;BMWPYOKMDTYWHE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278971;MM278971;CC#CCCC(C)CC=O;YKQQFTKOVXTBOT-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278972;MM278972;CC#CCCC(C)CC#N;OLGBWKZOWCERNO-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278973;MM278973;C=NOCCC(=O)NC;UYLDSDPLNPEMLB-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278974;MM278974;CC#CCCC(F)CC#N;YOUVVGGTXFRMKF-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278975;MM278975;CC#CCCC(C)NC=N;QBUPXJKZVSHYKK-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278976;MM278976;C=CC(=O)NCCC=O;XDQZDULETXHECC-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278977;MM278977;C=NNC(C)CCC#CC;MDZWWDSDECSLEN-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278978;MM278978;C=COC(C)CCC#CC;PDPPMLPITBSDDI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278979;MM278979;C=CCC(C)NCC#CC;OXPICPDUZKLOHM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278980;MM278980;CC#CCNC(C)CC=O;REKKXFFSLLPSSD-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278981;MM278981;C=CCC(C)OCC#CC;IFUQNGXENLYWLL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278982;MM278982;CC#CCOC(C)CC=O;YQARJRLAYIFCQA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278983;MM278983;CC#CCOC(C)CC#N;UPOCIOVHUDFELT-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278984;MM278984;CC#CCCN(C)CC#N;JHUIGJPXNUTMFR-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278985;MM278985;CC#CCCN(C)NC=N;CRFASKZZCRDCKX-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278986;MM278986;C#CCC(C)CCC#CC;APWSVIILPLAREP-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278987;MM278987;C#CCC(N)CCC#CC;RTMAPJWLESGYJB-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278988;MM278988;C#CCC(C)OCC#CC;BRKWMTVMMBANNP-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278989;MM278989;CC#CCCC(=O)CCC;AYQMIEIIUUSDEP-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278990;MM278990;CC#CCCC(=O)CCO;LZVVQYMGYTZWDK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278991;MM278991;CC#CCCC(=N)NNC;MWOGGKCCVZAABP-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278992;MM278992;CC#CCNC(=N)CCC;VKMBDEXDYXEITN-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278993;MM278993;CC#CCNC(=N)CCN;JLQBYYCNKGMNEI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278994;MM278994;CC#CCNC(=N)CCF;IOCPTJUFJJOXIC-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278995;MM278995;CC#CCNC(=O)CCC;GZDQBORZYBRPTM-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278996;MM278996;CC#CCNC(=O)CNC;RLRVKOTYFSROHN-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278997;MM278997;CC#CCNC(=N)NOC;XDNPGUMNGLUUIJ-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278998;MM278998;CC#CCNC(=O)NOC;IGYKZAUWTDRCAJ-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM278999;MM278999;CC#CCNC(=O)OCC;GQURVSXMUXCJAG-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279000;MM279000;C=C(CCC)OCC#CC;KDQUVZOTZDWREA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279001;MM279001;CC#CCOC(=O)CCC;VUSZDGGRMWEXMF-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279002;MM279002;CC#CCOC(=O)CCO;OLXXKHPSRDXDBU-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279003;MM279003;CC#CCOC(=O)OCC;NITFISYPYWVHNE-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279004;MM279004;C=CCC(=C)CCC#CC;YQYKXEDGABTBCK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279005;MM279005;C=CCC(=O)CCC#CC;KQOZEJVWTJTBBG-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279006;MM279006;C=CNC(=N)CCC#CC;HIZYATYNTNPPTM-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279007;MM279007;CCNC(=O)C1(C)CN1;CHPSLPSEOAXRMB-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279008;MM279008;C=CNC(=O)CCC#CC;RWHCCNMSYNRGHA-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279009;MM279009;C=NN1C(C)C1C(N)=O;FAEFAQMZMKEPLW-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279010;MM279010;C#CC1(CNC=O)CN1;LMHZVBDQLBIVEC-UHFFFAOYSA-N;124.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279011;MM279011;C=COC(=C)CCC#CC;WZNCXODMHQBSAH-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279012;MM279012;C=CCC(=N)NCC#CC;AWCKTUNJFZLOCL-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279013;MM279013;C=CCC(=O)NCC#CC;HTZAJDJGOJLCCG-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279014;MM279014;CC#CCNC(=O)CC=O;RQIVQTDLGFFMFR-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279015;MM279015;CC#CCNC(=O)CC#N;GRUGSVKMWZCINP-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279016;MM279016;C=CNC(=N)NCC#CC;LYVKYVJXLBRCLV-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279017;MM279017;C=CNC(=O)NCC#CC;FORCWJGVMHNHDU-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279018;MM279018;C=NNC(=N)NCC#CC;GRJNPDVXCDBCKW-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279019;MM279019;CC#CCNC(=N)OC=O;FLVJRGZJMAUBEX-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279020;MM279020;CCON=CCNC=O;JFRSULDJMUKDIV-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279021;MM279021;C=C(F)COC=CC(N)=O;FSUFUKZIAWBHHK-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279022;MM279022;C=CCC(=O)OCC#CC;GTUNNNUVDSZWGS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279023;MM279023;CC#CCOC(=O)CC#N;FYEKYCNKEAMVRM-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279024;MM279024;C=CNC(=N)OCC#CC;PFCKOGPMLBFDSD-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279025;MM279025;C=CNC(=O)OCC#CC;KNMIOZHBPAHSNE-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279026;MM279026;CC#CCOC(=O)NC=O;IADQOCPKOWQEND-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279027;MM279027;NC(=O)C=C(N)OCC=O;VLSXMXOWTSYFBR-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279028;MM279028;C=COC(=O)OCC#CC;GMMWOJLFJOFSAI-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279029;MM279029;C#CCC(=C)CCC#CC;RFPBPACAKXLFQH-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279030;MM279030;C#CCC(=N)NCC#CC;QYGAADZNDRFJSS-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279031;MM279031;C#CCC(=O)NCC#CC;IZFKGWMUAWWWIH-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279032;MM279032;C#CCC(=O)OCC#CC;RJLSTKRHFQUHSB-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279033;MM279033;CC=CC(C)CCCCC;YWPFKZMYKGXMAP-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279034;MM279034;CC=CC(C)CCCCN;BXMYXVXNRIIBFZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279035;MM279035;CC(=CC(=O)C=O)C(N)=O;DYKQLONCBLLMIZ-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279036;MM279036;CC(C=CF)CCCCN;IKYUDRCWNSRDID-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279037;MM279037;CC=CC(N)CCCCN;FEYJESIFWJKRDU-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279038;MM279038;CC=CC(N)CCCCF;NBQGFTRPFFOLLV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279039;MM279039;NCCCCC(N)C=CF;HDURDHFIOKUTQO-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279040;MM279040;NC(C=CF)CCCCF;ZASAMBLPVYRFCD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279041;MM279041;C=NNC(C=O)C=C(F)F;MYEXXQUYUNBZNE-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279042;MM279042;CC=CC(F)CCCCN;QPLAWSYOUHPANB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279043;MM279043;CC=C(CC(C)=O)C(N)=O;DGIOWRQOELGDDT-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279044;MM279044;NCCCCC(F)C=CF;XIWKGJFUVGDVFV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279045;MM279045;CNCCCC(C)C=CF;XRAJEBUUPDWZGJ-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279046;MM279046;CC=CC(F)CCCNC;GNTKRBOVADPWGA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279047;MM279047;COCCCC(O)C=CF;DCZQUQHTRUSHKH-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279048;MM279048;NC(C=NO)CCCCF;DLTNPWBVHKXYGS-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279049;MM279049;CNCCCC(C)C=NN;IGWKKFBYIDQHKW-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279050;MM279050;CNCCCC(C)C=NO;HGZOMSQDUFKJSX-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279051;MM279051;CNC(C=O)=C(N)C(N)=O;DOECSWKHOVTFRB-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279052;MM279052;CC=CC(F)CCNCC;RBSLNUJGSYLVKJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279053;MM279053;CCNCCC(F)C=CF;WKDUZZCTCHWSRP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279054;MM279054;CCNCCC(C)C=NO;OAWVYSUSXRQAQQ-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279055;MM279055;CC=CC(C)CCOCC;XXIINTMEMGNWLU-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279056;MM279056;CC=CC(N)CCOCC;QVBRMNCONIAAJB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279057;MM279057;CC=CC(O)CCOCC;WDMUDTBUPVFXAJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279058;MM279058;CCOCCC(N)C=NO;OHYHVHGQFIIARH-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279059;MM279059;CC=CC(C)CNCCC;OVAFGOBJXODGCU-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279060;MM279060;CC=CC(C)CNCCN;ZGCMOCZINWGRKT-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279061;MM279061;CC(C=CF)CNCCO;JPXAMENVYKEQFG-UHFFFAOYSA-N;147.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279062;MM279062;CC(C=CF)CNCCF;VDXMDKLNOXYCPD-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279063;MM279063;NC(C=CF)CNCCO;FLFOXWWAICVQGB-UHFFFAOYSA-N;148.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279064;MM279064;CC=CC(O)CNCCO;FGVOZSLUSZDCOF-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279065;MM279065;CCCNCC(O)C=CF;PNITYWGXCNERSY-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279066;MM279066;CC=CC(F)CNCCN;GGFWCGCFFOGCQW-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279067;MM279067;NCCNCC(F)C=CF;MXRFQPVWPNPWPB-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279068;MM279068;CC(C=NN)CNCCO;AAAGGFWJDGEMAQ-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279069;MM279069;CCCNCC(C)C=NO;YBIJOWDZWVEUHG-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279070;MM279070;CC=CC(C)COCCN;XQYSNKOZICDEPW-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279071;MM279071;CC=CC(C)COCCO;XWZNQXUPTNMATB-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279072;MM279072;CC=CC(C)COCCF;CTNZUCAJIVVVTR-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279073;MM279073;CC(C=CF)COCCN;SIAFGINHIOLAJO-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279074;MM279074;CC=CC(N)COCCN;PAXSOBNZSGXNHM-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279075;MM279075;CC=CC(N)COCCO;PZOZFRZTPKUGDZ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279076;MM279076;NCCOCC(N)C=CF;VTEHZLRSXIJURB-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279077;MM279077;NC(C=CF)COCCO;QVGKLTYCALJNKO-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279078;MM279078;NC(C=CF)COCCF;NTMRYVNRVKODOQ-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279079;MM279079;CC=CC(O)COCCC;YBOAIXKUOIFNCW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279080;MM279080;CC=CC(F)COCCC;KTCHGFONTXHINU-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279081;MM279081;CC=CC(F)COCCN;XOXYMKVKRVTHRC-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279082;MM279082;CC=CC(F)COCCO;YOJPNDNRKDJIND-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279083;MM279083;CC=CC(C)COCOC;AFMYPEZESYVREH-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279084;MM279084;COCOCC(N)C=CF;XJEGODDEWYVJTI-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279085;MM279085;COCOCC(F)C=CF;BYVVUCWPMXIWHJ-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279086;MM279086;CC(C(N)=O)=C(N)CCO;DAHABJQBGZVJPC-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279087;MM279087;CC(C=NO)COCCN;LIMOVFBRKAHLTJ-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279088;MM279088;CC(C=NO)COCCO;MJGVFPMZORTRIH-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279089;MM279089;NC(=O)C(=CCF)CC=O;AFPGVPWJMVFRHO-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279090;MM279090;C=NOC(C(N)=O)C(C)C;DXJPRVZQKMZPDL-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279091;MM279091;CC=CC(C)NCCCC;RSRORCLDXSQWQE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279092;MM279092;CC=CC(C)NCCCN;FCLNCBJVOKOJRJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279093;MM279093;CC=CC(C)NCCCF;ZYBWMTYMICYZBT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279094;MM279094;CC(C=CF)NCCCF;WESQTYCEWMBHOQ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279095;MM279095;CC=CC(C)NCCNC;GPLGIFKRVNODEL-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279096;MM279096;CC=CC(C)OCCCC;RWRVXBRICDKZIH-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279097;MM279097;CC=CC(C)OCCCN;CTLZRVYTUBUGDA-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279098;MM279098;CC=CC(C)OCCCO;KGAUUXLACOCDJK-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279099;MM279099;CC=CC(C)OCCCF;FPSGHCLGJLSHKE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279100;MM279100;CC=CC(C)OCCOC;DSJVMKZZGWUJLR-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279101;MM279101;CC=CC(C)OCOCC;GAYSDCCUKJGIPP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279102;MM279102;CN(C=NN)CCCCF;LOZADGCYUOCQEL-UHFFFAOYSA-N;147.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279103;MM279103;COCCCN(C)C=NN;TYGGXYMCHSSBSP-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279104;MM279104;Nc1cn(N)c(N)nc1=O;KDYRCNWPTXHNJW-UHFFFAOYSA-N;141.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279105;MM279105;CCNCCN(N)C=NO;QPAFRZXQQSZXIN-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279106;MM279106;COC(=NCC(N)=O)NN;RGUDIQQDVOIFBK-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279107;MM279107;CON=CNCC(=O)CF;HQDZTNPOOCZZNK-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279108;MM279108;CC=NN(C)CCCCC;CKFPAXYRIWCGCT-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279109;MM279109;CC=NN(C)CCOCC;ILWHFPDYIIHQCV-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279110;MM279110;CN=CN(C)NCCNC;USIWIHKBJYKKBY-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279111;MM279111;COCC(CNC=O)=NN;OZJVBNRRCTZWIG-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279112;MM279112;C=NOC(C#CC#N)C=O;HYGXQGDWGTTYAZ-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279113;MM279113;COCCON(C)C=NO;JTAIPQBXDKVMLU-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279114;MM279114;CN(C=O)C(=CN)C(N)=O;LCRITQZUNCCRFT-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279115;MM279115;C=CCCCC(C)C=CC;UXKAAXRHCPFCFF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279116;MM279116;CC=CC(C)CCCC#N;IGMQEWSHORYLHW-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279117;MM279117;C=CCCCC(N)C=CC;QLNIDVAMAXEISX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279118;MM279118;C=CCCCC(N)C=CF;NCPWECTYDKEOPF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279119;MM279119;CC=C(C(N)=O)N(N)C=O;ISWLXJDYEIQGJX-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279120;MM279120;CNc1cc(NC=N)no1;KUDBPKKCWSUNFY-UHFFFAOYSA-N;140.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279121;MM279121;C=CCCCC(F)C=CC;GJKZRLLQJFBLEX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279122;MM279122;C=CCCCC(N)C=NO;ALZFNXSXAXCDKC-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279123;MM279123;CC=CC(C)CCNC=N;BUZIWOSHDJNKHZ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279124;MM279124;CC(C=CF)CCNC=N;PTKVZHZEESUOIZ-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279125;MM279125;C=NNCCC(C)C=CC;AKYSNNYQOCPGOT-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279126;MM279126;C=NNCCC(C)C=CF;SQJKTFZFUPGYFG-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279127;MM279127;C=NNCCC(N)C=CC;ISPKNIOPAVNNOT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279128;MM279128;C=C(CCO)C(N)=O;SBVKVAIECGDBTC-UHFFFAOYSA-N;115.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279129;MM279129;C=NNCCC(F)C=CF;COBSHQQWRYEHSJ-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279130;MM279130;CC(C=NN)CCNC=N;ZVZDQYAPQQKOJW-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279131;MM279131;CC(C=NO)CCNC=N;ULWRFGZESJNBDG-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279132;MM279132;CC(C=NO)CCNC=O;MYLLRZIAIBZXTM-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279133;MM279133;C=NNCCC(C)C=NN;XYWRQMVMYAYUKN-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279134;MM279134;COC(CCO)=NN;LQVJFFIWMANNPC-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279135;MM279135;CC=CC(C)CCOC=O;KRLMQCSJVNYUKI-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279136;MM279136;C=COCCC(N)C=CC;GBEHXRCLVSPSIH-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279137;MM279137;C=COCCC(O)C=CC;MKHAEAOFXCXVTC-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279138;MM279138;CC=CC(O)CCOC=O;ZDJVKMYRSGFXJC-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279139;MM279139;C=NOCCC(C)C=CC;HPVKWEPFAMZQQY-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279140;MM279140;CC(C=NO)CCOC=O;FWPBGGZLLRYGML-UHFFFAOYSA-N;145.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279141;MM279141;C=COCCC(N)C=NO;RJVNVUUHSPYSBT-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279142;MM279142;NN=C1NCC(=O)O1;DPQUYRRGTITSOY-UHFFFAOYSA-N;115.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279143;MM279143;C#CC1(C)NC1C(N)=O;AILWJCFKJBCDEG-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279144;MM279144;C=CCNCC(C)C=CC;UWUKBKRNTIFZHN-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279145;MM279145;CC=CC(C)CNCC=O;KSBHHWZJYDMGJQ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279146;MM279146;CC=CC(C)CNCC#N;QHNQJLNMCSKHQB-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279147;MM279147;C=CCNCC(C)C=CF;BPYLWIQZIXNPSQ-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279148;MM279148;CC(C=CF)CNCC=O;MPLMEKHASILMHY-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279149;MM279149;C=CCNCC(N)C=CC;SKJGLKNNRNWENS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279150;MM279150;C=CCNCC(O)C=CC;GPUHEOPRUCSQKO-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279151;MM279151;N#CCCC=CC(N)=O;DOGBATACOHRJCO-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279152;MM279152;CC=CC(F)CNCC#N;JRHAJACSFLIYQG-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279153;MM279153;C=NOCC(C)NC=O;RROVZVCUCILIJD-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279154;MM279154;C=CCNCC(O)C=NN;OYQVHPWQACWPMY-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279155;MM279155;CC=CC(N)CNNC=O;JNUMGJIYSWNLFD-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279156;MM279156;CC=CC(O)CNNC=N;ODSMTPGZTOZTQM-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279157;MM279157;CCOC(CCO)=NN;TXFLUJUYOHBESF-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279158;MM279158;N=CNNCC(F)C=CF;VGGSPDSWGZRXBJ-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279159;MM279159;CNN=C(CCO)OC;CXIUJPNIUYIYOX-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279160;MM279160;C=CCOCC(C)C=CC;KBHPIMIDKSJODP-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279161;MM279161;CC=CC(C)COCC=O;XDWALPAKLAROOK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279162;MM279162;CC=CC(C)COCC#N;UFPIEIJKKDUKME-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279163;MM279163;C=CCOCC(N)C=CC;PFTVPLPNAMMQFI-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279164;MM279164;C=CCOCC(O)C=CC;ACGQUMYBCAWGHU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279165;MM279165;O=CCOCC(O)C=CF;JGDXFHCYCVYISN-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279166;MM279166;C=CCOCC(F)C=CC;PXVRMGGMJWDOSB-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279167;MM279167;CC=CC(F)COCC=O;YZNWMJCVCPDDSG-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279168;MM279168;CC=CC(F)COCC#N;QMKXUPPDPWADOJ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279169;MM279169;C=CCOCC(C)C=NN;QHBDBWVYKPQHRS-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279170;MM279170;CC(C=NO)COCC=O;BIPSJFNLACHYEG-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279171;MM279171;NC(=O)N(N)CC1CC1;QCRMKCUKSGFKIT-UHFFFAOYSA-N;129.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279172;MM279172;CC=CC(C)CONC=O;ZQGXKOGLDNPIPS-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279173;MM279173;CC(C=CF)CONC=N;XNYYRYMSEJWZSD-UHFFFAOYSA-N;146.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279174;MM279174;CC(C=CF)CONC=O;BHGRYQCJEWFYBU-UHFFFAOYSA-N;147.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279175;MM279175;CC=CC(O)CONC=N;NDVMPSLJRFBDCD-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279176;MM279176;CC=CC(F)CONC=O;DNGNUWBCBFFOJX-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279177;MM279177;C=CCCNC(C)C=CC;KSZMZHBKZWAURH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279178;MM279178;CC=CC(C)NCCC=O;FFXPRNGGZGFAHU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279179;MM279179;C=CCCNC(C)C=CF;ZEBXDJMBJMMZKC-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279180;MM279180;C=CCCNC(C)C=NO;MPILQXPEZRTJIF-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279181;MM279181;CN(NC1CC1)C(N)=O;VKDKRVIEGPZWEO-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279182;MM279182;C=CCCOC(C)C=CF;CHVLJGCROGZLFR-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279183;MM279183;C=CCCOC(C)C=NN;PRYUSIMMEDEPRI-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279184;MM279184;C=CCCCN(C)C=NC;APBXTOGWFYHYOF-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279185;MM279185;NN=COCCNC=O;AIHBDKOHRBGQJZ-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279186;MM279186;N=CNCCN(N)C=NN;YEOSMLNWBKGLQG-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279187;MM279187;CN(CC(N)=O)N=CC=O;RJTJLOBVMKLSRX-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279188;MM279188;N=CNCCN(O)C=NN;HCHBLMHEWHVICZ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279189;MM279189;NN=CC(F)=CCC(N)=O;JJONGSUKXWBAMU-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279190;MM279190;N=CNCCN(O)C=NO;GLZCAPTYXIJXDF-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279191;MM279191;C=C(C)OC(CCO)=NN;VOEMSKLVKUZNBH-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279192;MM279192;C=COCCN(C)C=NN;XJBWXWSZZBRYPA-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279193;MM279193;COC(CCO)=NN(C)C;XWCPZGNOCQOBDI-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279194;MM279194;C=NOCCN(C)C=NC;ZJVQGXAPOXMPIX-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279195;MM279195;C=NNCCN(C)N=CC;IYYMGYOMJAHBCI-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279196;MM279196;C=COCCN(C)N=CC;XXQHTYJDXVVBFS-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279197;MM279197;CC(F)C(=CC(N)=O)CF;CTNSFNHIGJJNAV-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279198;MM279198;C=COCON(C)C=NO;AIXCIQQOEJHOAD-UHFFFAOYSA-N;146.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279199;MM279199;CNN=CCC(=O)CCO;DBOBQMRBCTZPFM-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279200;MM279200;C#CCCCC(N)C=CC;SDGZNCXSJKZCLO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279201;MM279201;C=CC(=CC)N(N)C(N)=O;KEGUBCSHWOAOFS-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279202;MM279202;C#CCCCC(C)C=NN;KFTKLZMIHSPNEY-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279203;MM279203;C#CCNCC(C)C=CF;YCKMCPPBROOHMK-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279204;MM279204;C#CCNCC(C)C=NN;WDCHQJZKGXPFLK-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279205;MM279205;C#CCNCC(C)C=NO;GCYUZINULHWELZ-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279206;MM279206;C#CCOCC(C)C=CC;JKPADHWDTOMEEI-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279207;MM279207;C#CCOCC(C)C=CF;NPAANBXRMZOPLE-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279208;MM279208;C#CCOCC(N)C=CC;MMTKAISYJMFNPU-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279209;MM279209;C#CCOCC(O)C=CC;VPTHJGBIQPDZOM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279210;MM279210;C#CCOCC(F)C=CC;VFQAVMONQAMLGE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279211;MM279211;C#CCOCC(F)C=CF;IPFPCCXSHWBHQN-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279212;MM279212;C#CCOCC(C)C=NO;SRUSIFCOMDCHSF-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279213;MM279213;CON=CCN(C)C(N)=O;OZZSACAGLURZGP-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279214;MM279214;C#CCCNC(C)C=CC;LDVUHBBVQJNQEC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279215;MM279215;C#CCCNC(C)C=CF;UCAZZFOAAYITSL-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279216;MM279216;C#CCCOC(C)C=CC;XQQOJCISAWEWPZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279217;MM279217;C#CCCOC(C)C=NN;AUDLZNDZBJUHDG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279218;MM279218;C#CCCCN(C)C=NC;CPPCFMJVXPWNAJ-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279219;MM279219;C#CCCCN(O)C=NO;XQPAQRZIHXUVMW-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279220;MM279220;C#CCCCN(C)N=CC;UASGDMSOIABGOY-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279221;MM279221;C=C(C=CC)CCCCC;TXBOUZNODJJOPB-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279222;MM279222;C=C(C=CC)CCCCN;QNSFRCAUKAFGGV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279223;MM279223;C=C(C=CF)CCCCN;BVVCGKNKKDHJMD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279224;MM279224;C=C(C=CF)CCCCF;KMLVGQDOGMAYFQ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279225;MM279225;CC=CC(=O)CCCCC;WTAYWTBOEQYGOG-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279226;MM279226;CC=CC(=O)CCCCF;QUEIHUVGWGMAHX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279227;MM279227;CCCCCC(=O)C=CN;IULWGCLWSMRUGR-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279228;MM279228;CCCCCC(=O)C=CF;RQCFOOCTXSJIRP-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279229;MM279229;C=C(C=CC)CCCNC;DUCNTFGHHJRPIB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279230;MM279230;C=C(C=CF)CCCNC;JWLDYBNRIJXZOA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279231;MM279231;C=C(C=CF)CCCOC;BZPNFSRVJMBVDB-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279232;MM279232;CC=CC(=O)CCCOC;VYFBAPLVOPLMSS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279233;MM279233;COCCCC(=O)C=CF;LUPMGHBIKWHQPH-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279234;MM279234;C=C(C=NO)CCCCN;YTQMYMZWZSNYSQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279235;MM279235;C=C(C=NO)CCCCF;HLSFWORNHHBBBC-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279236;MM279236;CCCCCC(=O)C=NO;BMCZRKHSJOIEHE-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279237;MM279237;C=C(C=CC)N(N)C(N)=O;VTCOSDSTTCQZKG-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279238;MM279238;C=C(C=CC)CCNCC;PJLDINXMSODFSB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279239;MM279239;C=C(C=CF)CCNCC;NLWWAKWFBIGCBS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279240;MM279240;CC=CC(=O)CCNCC;LDSOACHLOXKHKJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279241;MM279241;CCNCCC(=O)C=CN;SCDJAMQAZHLNPD-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279242;MM279242;CCNCCC(=O)C=CF;JFZCGDMVDXKHPY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279243;MM279243;C=C(C=CC)CCOCC;HFECCXSKHQIOTN-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279244;MM279244;CC=CC(=O)CCOCC;OSVDYTJTMQGOFP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279245;MM279245;CCOCCC(=O)C=CF;JZZNQTLCWGVCBS-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279246;MM279246;C=C(C=CC)CNCCC;WILYDYAPLJBQMG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279247;MM279247;C=C(C=CF)CNCCC;IJHNLYYLBJJXAX-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279248;MM279248;C=C(C=CF)CNCCN;PNJAOWLVLPBYDP-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279249;MM279249;C=C(C=CC)COCCC;DASSJOZFTSYPIV-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279250;MM279250;C=C(C=CC)COCCN;LXSSRJTXJVLUDD-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279251;MM279251;C=C(C=CC)COCCO;AORDMAGKGHDFIV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279252;MM279252;C=C(C=CC)COCCF;OPDXVMXFWIKPQH-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279253;MM279253;CC=CC(=O)COCCC;VUEKCLZWBKFMNA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279254;MM279254;CC=CC(=O)COCCO;DFTVXTNKRZZJBX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279255;MM279255;CC=CC(=O)COCCF;OWFYBUWFRWBVLL-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279256;MM279256;C=C(C=CC)COCOC;LSQNZWPEOAWOJV-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279257;MM279257;COCOCC(=O)C=CN;DCMZHFMCWVJRCR-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279258;MM279258;C=C(C=NN)COCCF;VNCBHUHHENOIJE-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279259;MM279259;CC=CC(=N)NCCCC;LKWXSLOEFSQMRY-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279260;MM279260;CC=CC(=N)NCCCN;HMNNUCYHHBWRCZ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279261;MM279261;CC=CC(=N)NCCCO;VMZPJQTWXYUBQK-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279262;MM279262;N=C(C=CN)NCCCN;IPANMFMHDRLTQS-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279263;MM279263;N=C(C=CN)NCCCO;JXWRRRYIWMUOJH-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279264;MM279264;N=C(C=CF)NCCCO;STKAABDPCSRZRV-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279265;MM279265;CNN=C(CCO)OC=O;VTUJKUNMAXHNNV-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279266;MM279266;CCCCNC(=O)C=CF;MDPRGTKXTFFPLC-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279267;MM279267;CC=CC(=N)NCCNC;WYOOWEXLMOXGAR-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279268;MM279268;CNCCNC(=N)C=CN;KDXXZTVOVSXJQH-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279269;MM279269;CON=C(CCO)OC=O;DCACZACCDRHEFL-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279270;MM279270;O=C(C=NO)NCCCF;XBGMHTXGDMZCRF-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279271;MM279271;C=NOC(CCO)=NNC;DWLGGJQCYOVBNP-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279272;MM279272;COCCNC(=O)C=NO;OQBGYICYRNQTJQ-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279273;MM279273;CC=CC(=N)NNCCC;NZRCDBQGPPDSSL-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279274;MM279274;CC(C)C(CCO)NC=O;QLSDQMQJTBBGJO-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279275;MM279275;CNC(=O)CCOC=NN;FOGFFIGTTRSZCK-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279276;MM279276;CC1NCC(=O)C1(C)C#N;DCYBQVCRQRBMEO-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279277;MM279277;NN=COC(CCO)=NN;BGWRNBOENIFZES-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279278;MM279278;CC=CC(=N)NOCCC;GUZKZTHEIPQTHY-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279279;MM279279;CCCONC(=N)C=CN;YGZUHGLXILSGGY-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279280;MM279280;N=C(C=CN)NOCCN;SNQRXYLWLCIADR-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279281;MM279281;N=C(C=CN)NOCCO;DXJYUBHBXUKKBW-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279282;MM279282;NC=CC(=O)NOCCO;ZROYPDGSMFUVJZ-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279283;MM279283;COCONC(=O)C=CN;TWDUVVSMIUXGDQ-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279284;MM279284;COC(CCO)=NNC=N;CNESUUHQGFIFJC-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279285;MM279285;Oc1cnn(O)c1F;CVQDLJIDQLXJOO-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279286;MM279286;CN(C)N=CC(=O)O;GGZKKDTZSCCYQB-UHFFFAOYSA-N;116.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279287;MM279287;COC(CCO)=NOC=O;ZQZFFCDYMXPVRI-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279288;MM279288;CNN=CC(C=O)C(N)=O;FCGAHLORNBDUPT-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279289;MM279289;CCNN=CC(=O)O;RWNIYGYSGCONKM-UHFFFAOYSA-N;116.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279290;MM279290;NN=c1nc(O)nnn1N;SGIGFFSSPNJMJN-UHFFFAOYSA-N;143.11;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279291;MM279291;CC=CC(=O)OCCCC;GWCTUKHUBWMAMI-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279292;MM279292;CC=CC(=O)OCCCN;OEJGZQQJBVCVRH-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279293;MM279293;CC=CC(=O)OCCCF;OKAHACUOYOCEFX-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279294;MM279294;CCCCOC(=O)C=CF;RXTISWDARMJFDK-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279295;MM279295;C=C(C=CF)OCCNC;NKLDATZIKCSYQG-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279296;MM279296;N#CC#Cc1ccc(N)[nH]1;HXVXYYPLKXSOSK-UHFFFAOYSA-N;131.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279297;MM279297;C=C(C=NN)OCCOC;SCTBAVMEHPHRMK-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279298;MM279298;O=CC(=O)C1NC1CCO;MWYFBMCSLWSSLV-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279299;MM279299;C=C(C=CC)OCOCC;IVTKYESDUFIIQM-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279300;MM279300;C=C(C=NN)OCOCC;QKPOPZGJIPZPKJ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279301;MM279301;NNC1=NCC(CF)=NO1;CVNAWGDMOGHAAL-UHFFFAOYSA-N;146.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279302;MM279302;C=CCCCC(=C)C=CC;IMZQEHGJDKHUSV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279303;MM279303;C=C(C=CC)CCCC=O;MSUSHCVEWQCOSM-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279304;MM279304;C=C(C=CC)CCCC#N;VTGAQVITMMPOJA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279305;MM279305;C=C(C=CF)CCCC=O;KJUCJRORRBSACU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279306;MM279306;C=CCCCC(=O)C=CC;FKQCASSDWJJWJF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279307;MM279307;C=CCCCC(=O)C=CN;SCARJOBZGVYVBQ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279308;MM279308;C=CCCCC(=O)C=CF;SLFZSWDADFJMSF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279309;MM279309;C=CCCCC(=C)C=NN;PVLFTEPCPRDREC-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279310;MM279310;N=C(N)C(=O)CCO;BXBGAOKQIBPPLB-UHFFFAOYSA-N;116.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279311;MM279311;C=C(C=NO)CCCC=O;OLKRMRQMCUFKCQ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279312;MM279312;C=C(C=CC)CCNC=N;ZXRYTHJLLWIUFA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279313;MM279313;CC=CC(=O)CCN=CN;VQURGPHYGDGSAA-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279314;MM279314;NC=CC(=O)CCN=CN;DPWJZFYDPIPRFB-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279315;MM279315;N=CNCCC(=O)C=CF;BXZVVEBFIVBFQA-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279316;MM279316;C=NNCCC(=C)C=CC;GOTKXDZPYBFSJC-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279317;MM279317;CC(C)NN=CCC=O;SXNAWENPYHTVMT-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279318;MM279318;C=C(C=NN)CCNC=N;ORUVQFFKGJLNCO-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279319;MM279319;CC(CCCO)NC=O;VXIHQCNFOCMJTH-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279320;MM279320;C=NNCCC(=C)C=NN;CXTLQZKNUVTHDC-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279321;MM279321;C=COCCC(=O)C=CC;WVDFFGUQKZPMEQ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279322;MM279322;CC=CC(=O)CCOC=O;PAJPMDMHQVJRRJ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279323;MM279323;CNN=CC(=O)CCO;XMEBEYROZVSTGT-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279324;MM279324;C=CCNCC(=C)C=CC;IAMZLHWYBRHQKU-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279325;MM279325;C=C(C=CC)CNCC#N;LMWRHANSWPDILS-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279326;MM279326;C=CCNCC(=C)C=CF;POGVSQPPLWTGLE-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279327;MM279327;C=C(C=CC)CNNC=N;LDLIOYZFNDMULI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279328;MM279328;C=C(C=CC)COCC=O;FNXNNZPGVXFYTK-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279329;MM279329;C=C(C=CC)COCC#N;ULUBCBNKYWGMCC-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279330;MM279330;C=CCOCC(=O)C=CC;USSVTLMYSDMOOH-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279331;MM279331;CC=CC(=O)COCC=O;LRTHUSXXCNJEJF-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279332;MM279332;C=C(C=NO)COCC#N;KQOCIKHAKQJERA-UHFFFAOYSA-N;140.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279333;MM279333;C=C(C=CC)CONC=N;FWZCFMHLKIXOEJ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279334;MM279334;C=C(C=CC)CONC=O;VZTSIYXFIUOLGJ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279335;MM279335;CC=CC(=O)CONC=O;HXSBFQFLZAOUOQ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279336;MM279336;C=C(C=NO)CONC=O;AHJMVPVFYOEDKR-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279337;MM279337;C=CCCNC(=N)C=CC;UQGYHRYTQURRQP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279338;MM279338;CC=CC(=N)NCCC=O;JMLJHIICPBDSDP-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279339;MM279339;N#CCCNC(=N)C=CF;RRBMGCJLDYYZRE-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279340;MM279340;N#CCCNC(=O)C=NO;JLEHUAUQJGOQTD-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279341;MM279341;N#CCNNC(=O)C=CN;ABNDWTXONPQYIE-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279342;MM279342;NC(=CNO)N=NCC=O;WDLIJSQJRRXVEW-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279343;MM279343;N#CCNNC(=O)C=NO;PIKAAAXVWXIWLF-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279344;MM279344;N=C(C=CN)NOCC=O;FZZWECQRMFSDNI-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279345;MM279345;N#CCONC(=N)C=CN;SRHDBRFNCJADJV-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279346;MM279346;CC=CC(=O)NOCC=O;CGPQVCKLHXYRLP-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279347;MM279347;NC(C=NO)=NOCC=O;UNSQHWJGMHCMNK-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279348;MM279348;CN(CC=O)C(=N)C#N;GNZGIMCATWVTKL-UHFFFAOYSA-N;125.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279349;MM279349;Cc1c(O)n[nH]c1O;CXDUSMLEPWPRTG-UHFFFAOYSA-N;114.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279350;MM279350;CC=CC(=O)OCCC=O;YDMVUJZNAQCHFL-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279351;MM279351;O=CCCOC(=O)C=CF;CFRHUTAGGMMMRA-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279352;MM279352;C=C(C=NO)OCCC=O;PUYFUECDJFHAHA-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279353;MM279353;C=COCOC(=C)C=NN;RGEMJQLWSUHPND-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279354;MM279354;C=C(C=NN)C(=O)NC;GVWWUMLFTQOLJH-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279355;MM279355;C#CCCCC(=C)C=CC;WWIZKINIJAJSDB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279356;MM279356;C#CCCCC(=O)C=CN;XMFWNJYYLKDXCX-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279357;MM279357;C#CCCCC(=C)C=NO;JZWRQAVGTICGLG-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279358;MM279358;C#CCOCC(=C)C=CC;FQVXCMVGCQISPX-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279359;MM279359;C#CCOCC(=O)C=CC;KONCGJSWAKSKSV-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279360;MM279360;CC=C(C(N)=O)C(C)F;HEYRNTSLKPTKCF-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279361;MM279361;Cn1c(N)ncnc1=O;OADSLVYMNARUAZ-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279362;MM279362;C#CCCNC(=O)C=NO;DNAACUTXEJIKRC-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279363;MM279363;C#CCNNC(=N)C=CF;HWUZWSFNSIWNLD-UHFFFAOYSA-N;141.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279364;MM279364;C#CCNNC(=O)C=CF;TWJBKTFVSCQPIP-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279365;MM279365;C#CCONC(=N)C=CN;SXOGCCBNYWHKBG-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279366;MM279366;C#CCCOC(=O)C=CN;QYNDQPGTHDXLCS-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279367;MM279367;C#CCCOC(=O)C=CF;NEYFQZOJMMEOGZ-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279368;MM279368;C#CCCOC(=C)C=NN;XELIEXFPKSXRFD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279369;MM279369;CC=CCCC(C)C=CC;CTBKUNVRFJMSAY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279370;MM279370;CC=CC(N)CCC=CF;MKQWDBXXYNEJQM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279371;MM279371;NN=C1CN(C=O)C=N1;RLMSEPAJSFAWGT-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279372;MM279372;CC=CC(F)CCC=CF;ACUUGYUODJFAHA-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279373;MM279373;CC=CC(C)CCC=NN;DDZOJXVPYAYDPN-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279374;MM279374;C#Cc1cc(NN)no1;PIKCIMPHAICCLA-UHFFFAOYSA-N;123.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279375;MM279375;NN=CCCC(F)C=CF;VOPCGMGEANTYTL-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279376;MM279376;CC(C=NN)CCC=CF;OKRYWAODEYBTRW-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279377;MM279377;CC(C=NN)CCC=NN;UITYNKLDWRXOIO-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279378;MM279378;NN=CC(O)CCC=NO;TUHJYMJAROGJGR-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279379;MM279379;CC=CC(C)CNC=NC;UDTUBMDEUBBKDQ-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279380;MM279380;CN=CNCC(C)C=CF;NSHBZQWJMGCUQB-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279381;MM279381;CC(C=CF)CN=CNN;ZMLIEPYIBCPLRW-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279382;MM279382;CC=CC(N)CNC=NC;FLYMURNPPJFCBL-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279383;MM279383;CN=CNCC(O)C=CF;CXYNIQNKVIRKKS-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279384;MM279384;CC=CC(F)CNC=NC;AIKIBVVTSXGQKR-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279385;MM279385;CN=CNCC(F)C=CF;DVPCNDAMTOBWNG-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279386;MM279386;CC(C=NO)CN=CNN;DEMHXDURQKQRKC-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279387;MM279387;CN=CNCC(F)C=NN;NIPJCIQKGGUKFH-UHFFFAOYSA-N;146.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279388;MM279388;CC=CC(C)CNN=CC;XHOKPXJNGWVBID-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279389;MM279389;CC=CC(N)CNN=CC;YKTIKRNPHFRUAQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279390;MM279390;CC=NNCC(F)C=CF;ICDBSFNPQBSWRI-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279391;MM279391;CC=CC(C)COC=CF;IRFCHIPBGOYKNC-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279392;MM279392;CC=COCC(N)C=CC;WARZGVSORUMIOS-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279393;MM279393;CC=CC(N)COC=CF;RJQJLRJIYVSKEA-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279394;MM279394;CC=COCC(N)C=CF;GAQLNCSBEKVSBJ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279395;MM279395;NC(C=CF)COC=CF;DPIQVWKLBZGANP-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279396;MM279396;CC=COCC(O)C=CC;DTRGVTBHSKSMKP-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279397;MM279397;CC=CC(O)COC=CF;BQSDYXGHKWYSHU-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279398;MM279398;ON=COCC(O)C=CF;SDZUHNWXQAZYLE-UHFFFAOYSA-N;149.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279399;MM279399;CC=CC(F)COC=NO;XAUXFCBYKHTNOS-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279400;MM279400;CC=COCC(C)C=NN;OXHDHALCQVFNSL-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279401;MM279401;CC(C=NN)COC=CF;RENQAYYAHTWLLA-UHFFFAOYSA-N;146.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279402;MM279402;CC=COCC(C)C=NO;JXUIOGSRIKSFPQ-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279403;MM279403;CC(C=NO)COC=NO;XRSPDEYYGDFWSU-UHFFFAOYSA-N;146.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279404;MM279404;CCCNN=CCC=O;BHACIAOOOCKBPI-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279405;MM279405;NN=CC(O)COC=NO;FRKYITPXHTYDND-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279406;MM279406;CC=CC(C)CON=CC;ZWAJYOILEXXJSA-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279407;MM279407;CC=CC(N)CON=CC;CSLLEMKMXPBKBI-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279408;MM279408;C=CCNN=CCC=O;ZSRXDTFTQVDCGU-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279409;MM279409;CC=NOCC(C)C=NN;UZLGRCFDYALENO-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279410;MM279410;C#CCNN=CCC=O;ZOOMKDWGCXWFIA-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279411;MM279411;CC=CCNC(C)C=CC;RRGOOPWRSSPRQQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279412;MM279412;CC=CC(C)NCC=CF;XDKOZONTTDQMQX-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279413;MM279413;CN=CNNC(C)C=CF;DTLOIWBTYNJAQW-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279414;MM279414;CN=CNNC(C)C=NN;PBCJAMVYFMEQAL-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279415;MM279415;CC=CCOC(C)C=CC;VIEGBZOVSPIKLO-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279416;MM279416;CC=CC(C)OCC=NO;FJIKIPDSIJENFP-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279417;MM279417;CN=CNOC(C)C=CF;WXEFVZSSOCPDAC-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279418;MM279418;CN=CNOC(C)C=NN;XHIICNHWGKMQRE-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279419;MM279419;CN=CN(C)CCC=CF;CYENJRRSQMLKMT-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279420;MM279420;CN(C=NN)CCC=CF;AOCRLKZKQBDMBZ-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279421;MM279421;CC(F)C=NNCC(N)=O;XYMDLTSSKUVGLJ-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279422;MM279422;CN(C)N=COCC(N)=O;DOFHWWXVYIVBFG-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279423;MM279423;CN=CN(C)CCC=NN;FWMDDDUCSNMMAC-UHFFFAOYSA-N;142.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279424;MM279424;C=C(NC(=N)OC)C(N)=O;SGPAGAQVHPJUKW-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279425;MM279425;ON=CCCN(O)C=NO;SSHXAEIADYKTGP-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279426;MM279426;C=C(C=CC)CCC=CC;QKHJYUGYUPVUMN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279427;MM279427;C=C(C=CC)CCC=CF;MCYSEHFLQDSUMB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279428;MM279428;C=C(C=CF)CCC=CF;HWNYRSXPUIGTTI-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279429;MM279429;CC=CCCC(=O)C=CC;NRTUYDBKORBCDS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279430;MM279430;CC=CCCC(=O)C=CN;APRVDBGUOWHDKP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279431;MM279431;CC=CCCC(=O)C=CF;BJVHKLKPNRYEBJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279432;MM279432;C=C(C=CF)CCC=NN;MLJMUMAAPKTAIQ-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279433;MM279433;CC=CCCC(=O)C=NO;IEDAURJRCITABY-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279434;MM279434;C=C(C=CC)CNC=NC;FCCDWIGFAHTNQI-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279435;MM279435;C=NOC(=O)CCC(N)=O;IFMYRGWKMQCNBJ-UHFFFAOYSA-N;144.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279436;MM279436;CN=CNCC(=O)C=CN;FDHKDMAOGQDWCN-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279437;MM279437;CN=CNCC(=O)C=CF;SFBGFOLBTIMCCQ-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279438;MM279438;CN(C)N=CC(=O)CCO;YYOUTLMSERECOK-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279439;MM279439;C=C(C=CC)COC=CC;GVZDICRSCPGZJX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279440;MM279440;CC=COCC(=O)C=CC;RDJILMSSBAZTKP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279441;MM279441;CC=CC(=O)COC=CF;RKHBUHIWDGYTRH-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279442;MM279442;OCCCON=CC(F)F;QYKYXXYRXWZSDF-UHFFFAOYSA-N;153.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279443;MM279443;C=C(C=CC)COC=NO;CLXPMDRUSQCRDS-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279444;MM279444;C=C(C=NN)COC=CF;DHLSXNNDLGVDPV-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279445;MM279445;C=C(C=CC)CON=CC;FSHPKPCOQIQDCS-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279446;MM279446;CCNN=CC(=O)CCO;WYOQMQRDGQBGGC-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279447;MM279447;CC=CCNC(=N)C=CC;VYZKQCXSXRHFCR-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279448;MM279448;NC=NN=CC(=O)CCO;LUEINMUNEHOSHK-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279449;MM279449;N=C(C=CN)NCC=NN;AXOOLNGEPLNKKQ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279450;MM279450;N=C(C=CF)NCC=NN;XLJPJSFHKDNMDO-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279451;MM279451;NN=CC(=O)NCC=NO;ZKKHRYHLXMWWGL-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279452;MM279452;CC=CC(=N)NNC=NC;GHXUXVCGKUDRHF-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279453;MM279453;CN=CNNC(=N)C=CN;KFOHEPMHNAYKAC-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279454;MM279454;CN=CNNC(=O)C=CF;AATXPZDFTXWREV-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279455;MM279455;NN=CC(=O)NN=CNO;BZECCWKYRLCILG-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279456;MM279456;N=C(C=CN)NOC=NO;MWVXODJJWSRHIM-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279457;MM279457;CNN=C(N)C(=O)CCO;KZLQFCZMQNREPE-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279458;MM279458;N=CN=C(N)C(=O)CCO;FRQGJCJOCCDLFV-UHFFFAOYSA-N;143.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279459;MM279459;N=C(C=NO)NOC=NN;PJHGBAVELRSTSP-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279460;MM279460;C=C(C=CC)OCC=CC;APCGOWYYTJLVGL-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279461;MM279461;CC=CCOC(=O)C=CF;JNGBCIDUNROLSL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279462;MM279462;C=NN=C(N)C(=O)CCO;BOOSNBKLWTZDJJ-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279463;MM279463;CC#CCCC(C)C=CC;WWKJIXDSCQMDLU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279464;MM279464;CC#CCCC(N)C=CC;CAPJMMDMBGFXLR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279465;MM279465;CC#CCCC(F)C=CF;KNSHVWGOANSLHG-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279466;MM279466;CC#CCNC(C)C=CC;YAWJCOPEBBMZAQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279467;MM279467;CC#CCOC(C)C=CC;JUQRWTKXYGXACG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279468;MM279468;C=NN=C(C)C(C)NC=O;PJMSTKXHQJTHHK-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279469;MM279469;CC#CCCN(C)N=CC;SCVSSYVFWWZKDZ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279470;MM279470;CC#CCCC(=O)C=CC;VCNRJDIIKIIPPW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279471;MM279471;CC#CCCC(=O)C=CN;VOPYIGVMRYZKFE-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279472;MM279472;C=C(C=NO)CCC#CC;WYWXJDHKQGTIRF-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279473;MM279473;CC#CCNC(=N)C=CC;MEXLXRCCXHVPFC-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279474;MM279474;CC#CCNC(=N)C=CN;JHPIUSOKUSPICF-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279475;MM279475;CC#CCNC(=O)C=CN;XHUNLJNQYMMDIC-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279476;MM279476;CC#CCOC(=O)C=CC;PKOIBXUQZOJIKH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279477;MM279477;CC#CC(C)CCCCC;WCWCXXCPWVJBSH-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279478;MM279478;CC#CC(C)CCCCN;SYHDJYYNKMKICD-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279479;MM279479;C=NOCCN(C)C(N)=O;RBCQSDGRNYCVGO-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279480;MM279480;CC#CC(C)CCCCF;XSFXTDILXBBLHE-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279481;MM279481;CC#CC(N)CCCCC;RZCTVXHYWKDMLE-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279482;MM279482;CC#CC(N)CCCCN;SDKHVWFNHPBPCM-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279483;MM279483;CC#CC(N)CCCCO;LJKUODYVHFSWNB-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279484;MM279484;CC#CC(O)CCCCC;ZUBAVYJXVVEESR-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279485;MM279485;CC#CC(O)CCCCO;CLYLWKDGQAIPIP-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279486;MM279486;CC#CC(F)CCCCC;KYMKXEHWXPXKEO-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279487;MM279487;CC#CC(C)CCCNC;XBGMINMSQWDSQA-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279488;MM279488;CC#CC(N)CCCNC;NTPRPVPDWZKQJP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279489;MM279489;CC#CC(O)CCCNC;UWJXIUKPUWDQNZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279490;MM279490;CC#CC(N)CCNCC;XULQZHNAAVVHPG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279491;MM279491;CC#CC(C)CCOCC;RULJLAVTQDTKSJ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279492;MM279492;CC#CC(N)CCOCC;HYQBRRZPSWYCPX-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279493;MM279493;CC#CC(C)CNCCC;HGGHCPDJESBCJC-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279494;MM279494;CC#CC(C)CNCCO;WYCKBCZIBUHBBK-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279495;MM279495;CC#CC(C)CNCCF;SQOIWWLICITEFB-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279496;MM279496;CC#CC(N)CNCCC;GIJOOTPDMJUVNA-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279497;MM279497;CC#CC(N)CNCCN;STBVJDVYUHRGLQ-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279498;MM279498;CC#CC(O)CNCCC;HTRUITYWVOTTSW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279499;MM279499;CC#CC(O)CNCCN;IGFQGLCUUKYPSD-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279500;MM279500;CC#CC(F)CNCCC;RDNUWAPSUXIDRJ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279501;MM279501;CC#CC(C)COCCC;LRIARRHGVYLDNZ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279502;MM279502;CC#CC(C)COCCN;SBHPNGFQIOGAJC-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279503;MM279503;CC#CC(C)COCCO;DEGFGGAOXICMJV-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279504;MM279504;CC#CC(N)COCCO;UBKYKXWEKSABOB-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279505;MM279505;CC#CC(O)COCCC;OOFFVEHJUBUIIZ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279506;MM279506;CC#CC(O)COCCN;VFLYALMZFUXVNN-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279507;MM279507;CC#CC(O)COCCO;CSWYXKPDJICTHO-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279508;MM279508;CC#CC(F)COCCN;DJJZOYTWDFDEBS-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279509;MM279509;CC#CC(F)COCCO;HVICBMHGOGJQDX-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279510;MM279510;CC#CC(C)COCOC;JOQOBZLBIVJJQY-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279511;MM279511;CC#CC(F)COCOC;MXCPBJPTTLKTBL-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279512;MM279512;CC#CC(C)NCCCC;WTHUEKOGRUOJNN-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279513;MM279513;CC#CC(C)NCCCN;XIDYDKMLRPOYIT-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279514;MM279514;CC#CC(C)NCCNC;BPJCDPLNPYTKDJ-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279515;MM279515;CC#CC(C)OCCCC;FDDTUNAGGGQVQK-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279516;MM279516;CC#CC(C)OCCNC;ZBGGCUCSHSXGEW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279517;MM279517;CC#CC(C)OCCOC;MYKMHSCQFGZDFH-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279518;MM279518;C=CCCCC(C)C#CC;OQIOZLNSRYCEPY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279519;MM279519;CC#CC(C)CCCC=O;YVIZBGWQIZZRMA-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279520;MM279520;CC#CC(C)CCCC#N;YBBARAZZVXBOCI-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279521;MM279521;C=CCCCC(N)C#CC;GHNPSUWFQISJDE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279522;MM279522;C=CCCCC(O)C#CC;VQTPHGTYWGUDJO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279523;MM279523;CC#CC(F)CCCC=O;AYGTXRICJISDDR-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279524;MM279524;CC#CC(C)CCNC=N;IZUKIJGGLPCBKG-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279525;MM279525;CC(=CC=CC#N)C(N)=O;BIGHGJXQCSPJFD-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279526;MM279526;CC#CC(O)CCNC=N;GXXKUPADUSHMFE-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279527;MM279527;C=NNCCC(C)C#CC;FREQAGKNQIRPOR-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279528;MM279528;C=NNCCC(N)C#CC;XFXJUTXCOJLALX-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279529;MM279529;C=NNCCC(F)C#CC;PTLHFNKTIPRHKY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279530;MM279530;C=COCCC(C)C#CC;RLKAUDGMCOSDAT-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279531;MM279531;CC#CC(C)CCOC=O;DQWASHHXQKNWQO-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279532;MM279532;C=COCCC(N)C#CC;UARNRWGFSFEJQE-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279533;MM279533;CC#CC(O)CCOC=O;HJNPJFSJANOCEK-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279534;MM279534;C=NOCCC(C)C#CC;IXOHCGIOCLPQJM-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279535;MM279535;C=NOCCC(N)C#CC;XBANKNAFIRKCIH-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279536;MM279536;CN(C)C(=N)C(=O)CCO;KOVZYXLEEUTFKY-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279537;MM279537;C=CCNCC(C)C#CC;CPSCDYQXGCLYPN-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279538;MM279538;C=CCNCC(O)C#CC;XDHCUGUOQHWXPA-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279539;MM279539;CC#CC(F)CNCC#N;AWQLIOKPKOXLIQ-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279540;MM279540;CC#CC(N)CNNC=N;YRWURVDRNAFJOP-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279541;MM279541;CC#CC(F)CNNC=N;NWEAWAVTPDLYAZ-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279542;MM279542;C=CCOCC(C)C#CC;WTJHHCUHPYQONF-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279543;MM279543;CC#CC(C)COCC=O;ZCVSUSATFHMXLI-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279544;MM279544;CC#CC(C)COCC#N;BRMBZQLVRXCHSZ-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279545;MM279545;C=CCOCC(O)C#CC;USUZFWJGGJOHCL-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279546;MM279546;CC#CC(O)COCC=O;PAEFATJTNHKTER-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279547;MM279547;C=CCOCC(F)C#CC;HFZHDYRNXNWCSM-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279548;MM279548;CC#CC(F)COCC=O;BEMYDLQDGHVCBP-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279549;MM279549;CC#CC(F)COCC#N;BBXUCUOFMAZBNM-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279550;MM279550;CC#CC(C)CONC=N;YJQQSZQAVZGJTL-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279551;MM279551;CC#CC(N)CONC=N;XSMGMXDHFHTJKT-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279552;MM279552;C=CCCNC(C)C#CC;WYVBQCJCVJDIRB-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279553;MM279553;CC#CC(C)NCCC=O;NYFQYKZOEFMBMO-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279554;MM279554;C=CCCOC(C)C#CC;RLWKEHKREPYAEZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279555;MM279555;C=COCOC(C)C#CC;WZGWKWSQXRZAMN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279556;MM279556;C#CCCCC(C)C#CC;YDLSYMOUTWFRRW-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279557;MM279557;C#CCCCC(F)C#CC;JECBORATJIAVHQ-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279558;MM279558;C#CCNCC(C)C#CC;HNBQFXMPVPZOJG-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279559;MM279559;C#CCOCC(C)C#CC;CNNJGJDHDCVOBF-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279560;MM279560;C#CCOCC(N)C#CC;FJMNRLJJSCJNKA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279561;MM279561;C#CCOCC(O)C#CC;RYIXAJNYWQRQNX-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279562;MM279562;C#CCOCC(F)C#CC;NITWJYUSEQOFIG-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279563;MM279563;C#CCCNC(C)C#CC;VBEBPXFMWFRSIU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279564;MM279564;C#CCCOC(C)C#CC;PMUKRLOJSAZPCU-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279565;MM279565;C=C(C#CC)CCCCC;LKYWOSAGIOPWFN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279566;MM279566;C=C(C#CC)CCCCN;ZOOOBRBBUJFZNH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279567;MM279567;C=NOC(CCC)C(N)=O;SPJWIGSJLBWHQO-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279568;MM279568;C=C(C#CC)CCCCF;YAXHPHXVDPSALL-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279569;MM279569;CC#CC(=O)CCCCC;QCWNCIVQOXCOMG-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279570;MM279570;CC(C)C(C=CF)NC=O;IUPZWCYZXJQJHP-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279571;MM279571;CC#CC(=O)CCCCF;GOAIYVPYFZWXSS-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279572;MM279572;C=C(C#CC)CCCNC;HHQHHFXWOLTXFI-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279573;MM279573;CC#CC(=O)CCCNC;MMCHGLRHJUREDS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279574;MM279574;C=C(C#CC)CCCOC;GPDABBVCGIPGAV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279575;MM279575;CC#CC(=O)CCCOC;CNWDUUJZSMBPBK-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279576;MM279576;C=C(C#CC)CCNCC;PYYMTPTVNYDIBM-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279577;MM279577;CC#CC(=O)CCNCC;DYNDOHJBQVVNHA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279578;MM279578;C=C(C#CC)CCOCC;JILSYRPSMIFVJA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279579;MM279579;CC#CC(=O)CCOCC;YMRKKYXNTFLTJN-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279580;MM279580;C=C(C#CC)CNCCC;WDTZBWVOONUACG-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279581;MM279581;C=C(C#CC)CNCCN;BXESCZLNPUIXOL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279582;MM279582;C=C(C#CC)CNCCO;UELXZTANQIUVIQ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279583;MM279583;C=C(C#CC)COCCC;FNPMZBWPFCPRQE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279584;MM279584;C=C(C#CC)COCCO;ZQLFWJWTTBIIGW-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279585;MM279585;C=C(C#CC)COCCF;SOJJNLGZIOLVCU-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279586;MM279586;C=C(C#CC)COCOC;SORBGVXNXXNKHV-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279587;MM279587;CC#CC(=N)NCCCC;KQKIJBJFIATLLY-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279588;MM279588;CC#CC(=O)NCCCC;WSPFZUJCUPSRRB-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279589;MM279589;CC#CC(=O)NCCOC;RLGFIQDOGZJRLS-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279590;MM279590;CC#CC(=N)NNCCN;AMPYJDLGMDPEGD-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279591;MM279591;CC#CC(=N)NNCCO;LLUCLLOKFHMQNU-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279592;MM279592;CC#CC(=N)NNCCF;MIZNCLFRJZGBHQ-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279593;MM279593;CC#CC(=N)NOCCN;FAGXDMIUNSPZQK-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279594;MM279594;C=C(C#CC)OCCCC;INMSSASNOUMAFQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279595;MM279595;CC#CC(=O)OCCCC;KICNDJPOKMQABH-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279596;MM279596;CC#CC(=O)OCCCN;SEIHZDKGRZDMAK-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279597;MM279597;CC#CC(=O)OCCCO;FWJKAQGQOWMYBY-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279598;MM279598;C=C(C#CC)OCCNC;KJCAWAPTBYNESY-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279599;MM279599;C=C(C#CC)OCCOC;CTMSHFAKTJBATR-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279600;MM279600;CC#CC(=O)OCCOC;XQNFLEDDTOUJJY-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279601;MM279601;C=C(C#CC)OCOCC;BKYLYAZPQYVDJG-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279602;MM279602;CC#CC(=O)OCOCC;XUOAELGCDUYWKJ-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279603;MM279603;C=CCCCC(=C)C#CC;IYQRUMCXIHWAIX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279604;MM279604;C=C(C#CC)CCCC#N;FUXRRTLFENOFHH-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279605;MM279605;C=CCCCC(=O)C#CC;VOXCLNMAPHKBHZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279606;MM279606;CC#CC(=O)CCCC=O;PDPMUYAMBZDYTR-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279607;MM279607;C=C(C#CC)CCNC=N;YKOLDPLQIACFJA-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279608;MM279608;CNC(C#N)C=CC(N)=O;RGOSCIOKHSXFOM-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279609;MM279609;C=NNCCC(=C)C#CC;MAXWWGNRLBMVLK-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279610;MM279610;C=COCCC(=C)C#CC;QNYYVRHHKWVWJL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279611;MM279611;C=C(C#CC)CCOC=O;IPRIHJMBQYLLHH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279612;MM279612;C=COCCC(=O)C#CC;XZIULISKUMIFGM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279613;MM279613;C=NOCCC(=C)C#CC;HLVKREDIBXHTIG-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279614;MM279614;C=C(C#CC)CNCC#N;HLFTWVYACUWCKG-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279615;MM279615;C#CC1(CC(=O)NC)CN1;NLNKKAPXUDLFDY-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279616;MM279616;CCC(C)NN=CCC=O;MDDWPHSKLGWZGI-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279617;MM279617;C=CCOCC(=C)C#CC;ARPXJGPDZREPRM-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279618;MM279618;C=C(C#CC)COCC#N;QBTXYKBMVJGNFX-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279619;MM279619;CC#CC(=O)COCC=O;YJSZFIQGMKFMIV-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279620;MM279620;CC#CC(=O)COCC#N;PGOHPLZUWUJNEW-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279621;MM279621;C=C(C#CC)CONC=O;MIQGDCXWQMESBF-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279622;MM279622;CC#CC(=N)NNCC#N;MBKBCEVLCFXCEG-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279623;MM279623;CC#CC(=O)NNCC=O;MTEUYCHVKDYRQU-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279624;MM279624;CC#CC(=O)NNCC#N;HUEDEEFWTYCQBF-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279625;MM279625;C=C(C#CC)OCCC#N;IPDHPMYZXJRRMH-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279626;MM279626;CC#CC(=O)OCCC#N;MVYPUIRNRFBILT-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279627;MM279627;C=COCOC(=C)C#CC;LIIYKZLKERPFNI-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279628;MM279628;CC#CC(=O)OCOC=O;ZJXJBJYOXCODIA-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279629;MM279629;C=NOCOC(=C)C#CC;PDJIPPDSKXTRPN-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279630;MM279630;C=NOCOC(=O)C#CC;MUWWHUNSEAZKAL-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279631;MM279631;C#CCCCC(=C)C#CC;ADCZLGFYNCTWNC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279632;MM279632;C#CCCCC(=O)C#CC;ZIJYXWVFVJFFTI-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279633;MM279633;C#CCOCC(=C)C#CC;ZAWGBDYDYXGOSO-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279634;MM279634;C#CCCNC(=N)C#CC;KMLMZBHPCYXLDU-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279635;MM279635;CC#CC(C)CCC=CC;SAQJETBLGKYHHR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279636;MM279636;CC#CC(C)CCC=CF;NEMWVYDTZFJPGR-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279637;MM279637;CC#CC(N)CCC=CC;LFSOLWJXBBRHHV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279638;MM279638;CC#CC(F)CCC=CF;QZZVCRPJYDMZPD-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279639;MM279639;CC#CC(C)CCC=NN;XTWZKHPARIFDQR-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279640;MM279640;CC#CC(C)CCC=NO;NNNJEYINLHVZJS-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279641;MM279641;CC#CC(O)CCC=NO;PLLYBJNFENADNG-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279642;MM279642;CC#CC(C)CNC=NC;IAJFBUBMMTVYOX-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279643;MM279643;CC#CC(O)CNC=NC;ZUIQPNWEXVQITA-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279644;MM279644;CC(C#N)NN=CCC=O;BVSXQXKBAVTNLX-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279645;MM279645;CC#CC(F)CNN=CC;OIULKGJESPNNNS-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279646;MM279646;CC#CC(C)COC=CF;HDAITNQFMMMMHK-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279647;MM279647;CC#CC(N)COC=CC;YEKVXRFIZQLOAT-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279648;MM279648;CC#CC(O)COC=CC;OPFZXDPTZNAGGT-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279649;MM279649;CC#CC(F)COC=CC;SWCUSMVMPNCTEX-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279650;MM279650;CC#CC(F)COC=CF;ZMWFCFYRQWQYAH-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279651;MM279651;C#CC(C)NN=CCC=O;RYZAICQYTJXCRC-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279652;MM279652;CC#CC(C)COC=NO;NHLVWPQTDVIYDU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279653;MM279653;CC#CC(O)COC=NO;XLQYFFFUVGGUFE-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279654;MM279654;C#CC(=O)CC=NOCC;WEMVYFYESCYLLU-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279655;MM279655;CC#CC(F)COC=NO;QFXQAKAOLISPEJ-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279656;MM279656;CC#CC(C)CON=CC;OEFDVOJVCIACQY-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279657;MM279657;C=CC(CNC=O)=NN=C;YFKUAHUBLDQAGP-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279658;MM279658;C=NOCOC(C#N)C=O;NXIOZOMAUZYNRU-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279659;MM279659;CC#CC(C)NCC=CC;SZPXWCFBKSZKPC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279660;MM279660;CC#CC(C)OCC=CC;HVKLBIBBNFUSHV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279661;MM279661;CC#CC(C)ON=CNN;LMLWYXMJYSVDPE-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279662;MM279662;C=CC(C#CCCO)=NN;JRJWAQULOSLDFC-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279663;MM279663;C=C(C#CC)CCC=CC;LAUVVFOLGZDKGJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279664;MM279664;C=C(C#CC)CCC=CF;IOGOIJOUXTXFSS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279665;MM279665;CC#CC(=O)CCC=CC;FULILOBQVGDYLV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279666;MM279666;CC#CC(=O)CCC=CF;PVTMDFFMMNCACH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279667;MM279667;C=C(C#CC)CCC=NN;AHSPHOWMZRHMPQ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279668;MM279668;C=C(C#CC)CCC=NO;KKPNVBPZDABHRC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279669;MM279669;C=C(C#CC)CNC=NC;HTMMZFKIIBDPET-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279670;MM279670;C=CC1(CF)CC1NC=O;WVLIUDYSDPJJJN-UHFFFAOYSA-N;143.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279671;MM279671;C=C(C#CC)COC=CC;VGCLIQJIXNSQFQ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279672;MM279672;C=C(C#CC)COC=CF;XUJZCBXFZNTVEH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279673;MM279673;CC#CC(=O)COC=CC;LKKYEYAMEMRUEG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279674;MM279674;C=C(C#CC)CON=CC;BESADNYTIJVKRA-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279675;MM279675;C#CC1(C(C)NC=O)CN1;FIDTVESRKYSZGK-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279676;MM279676;CC#CC(=N)NCC=CC;QWGNBGOBRXCNMT-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279677;MM279677;CC#CC(=N)NCC=NN;FWIWYEYTOUKBFP-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279678;MM279678;CC#CC(=O)NNC=NC;PELGTRMIPKQXMP-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279679;MM279679;C#CCc1nc(NC)c[nH]1;JXYKMILYFNXVIE-UHFFFAOYSA-N;135.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279680;MM279680;CC#CC(=O)NN=CNO;JAXLAUNTSNWRJA-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279681;MM279681;C=C(C#CC)OCC=CC;JRUVJDNQPBHXKI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279682;MM279682;CC#CC(=O)OCC=CC;QPUOBEICCNPGKK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279683;MM279683;C=C(C#CC)OCC=NN;OCUMMWBVVIDBAW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279684;MM279684;CC#CC(=O)OCC=NN;JYSQMSKEVJGHFA-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279685;MM279685;CC#CCCC(C)C#CC;OANQVRLGOYBVRT-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279686;MM279686;CC#CCCC(N)C#CC;UGIJOAFZLNWRBJ-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279687;MM279687;CC#CCCC(O)C#CC;KHSPIKMHGXKPPR-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279688;MM279688;CC#CCCC(F)C#CC;HKCDPGRSVVPSGO-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279689;MM279689;CC#CCOC(C)C#CC;COQQGDFKDGSJFF-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279690;MM279690;C=C(C#CC)CCC#CC;IRFOOSYLEOGKGZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279691;MM279691;CC#CCCC(=O)C#CC;ZMPVQQDKRQXFPD-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279692;MM279692;CC#CCNC(=N)C#CC;SFBIBZJHRRGKCG-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279693;MM279693;C=C(C#CC)OCC#CC;USQJSTIAPPGVKP-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279694;MM279694;CC#CCOC(=O)C#CC;VAVCXSFPUBKOGL-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279695;MM279695;CCCC(C)CC=CCN;WXFMMMBJONQERQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279696;MM279696;CCC=CCC(C)CCN;UBHPCIUYLHYMLY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279697;MM279697;CC(CC=CCO)CCN;CZGMIIBYIDSFQD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279698;MM279698;CC(CC=CCN)CCO;DDPZPCLZJRNMGN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279699;MM279699;CC(CC=CCO)CCO;SJGUWVJLWKJKNH-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279700;MM279700;CCC=CCC(N)CCC;FRRMZCMLECNGHH-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279701;MM279701;CC#Cc1cc(NN)no1;WHVWMSWBUJCAOA-UHFFFAOYSA-N;137.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279702;MM279702;CCCC(F)CC=CCO;NVGPXMYRDQVFHI-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279703;MM279703;CCCC(F)CC=CCF;YKZZGLVXXMZDFJ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279704;MM279704;CCC=CCC(F)CCN;LDFMFDLBVJMPDX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279705;MM279705;NCCC(F)CC=CCO;MOPOCMOKJBPZPI-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279706;MM279706;NCC=CCC(F)CCO;JIININMMTPUBCG-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279707;MM279707;NCC=CCC(F)CCF;GFQIDEFIFQYIIY-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279708;MM279708;COC=CCC(C)CCN;KKIQTMCIFKBVST-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279709;MM279709;COC=CCC(N)CCN;NAHYFXOFVIMMHJ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279710;MM279710;CNCC(C)CC=CCN;FXIIZAMONROWNW-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279711;MM279711;CNCC(C)CC=CCO;OQSNMGLVNKTGCF-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279712;MM279712;CNCC(N)CC=CCF;RIOGOHMNWJTJQQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279713;MM279713;CNCC(O)CC=CCN;ZAJAOJMRHGDTIP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279714;MM279714;CNCC(O)CC=COC;YLPZXGYYTNQKTP-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279715;MM279715;COCC(N)CC=CCN;XGVMVQLVOXHDIB-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279716;MM279716;COCC(N)CC=CCO;PNBICPAWYOQDBH-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279717;MM279717;COC=CCC(O)COC;WTVPTXJRTMTIRW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279718;MM279718;CCCC(C)CC=NNC;CXZCNVOFPUWCLT-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279719;MM279719;CNN=CCC(C)CCN;CBUOBMPPCQSSFT-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279720;MM279720;CNN=CCC(C)CCF;XDXNOHBIVWABQT-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279721;MM279721;N#CCCNN=CCC=O;LYUNATYURGJOIJ-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279722;MM279722;C#CCCNN=CCC=O;JAXAQWVGLYUFHT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279723;MM279723;CON=CCC(C)CCN;OOPYNGAHAFGNTH-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279724;MM279724;CON=CCC(N)CCO;UNMHBQGWWXFADW-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279725;MM279725;CON=CCC(O)CCN;CXMVBFNRPYDPHC-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279726;MM279726;O=CCC=NNCC=CF;QTEYTOCFNPJQOS-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279727;MM279727;CON=CCC(F)CCN;FQDIVTNMZTZGIG-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279728;MM279728;CNCC(F)CC=NNC;CBVVZMUGOBSSLJ-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279729;MM279729;CNCC(O)CC=NOC;WGWBSSSOTZJNMB-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279730;MM279730;CNCC(F)CC=NOC;LOPPBURZKJFUSX-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279731;MM279731;CNN=CCC(N)COC;OSUVGSBQGNKZKB-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279732;MM279732;CCON=CC#CCCO;RQHDNOYPKFVUHG-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279733;MM279733;COCC(N)CC=NOC;CTFARCLZQMWADS-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279734;MM279734;NN=C1C=NOC1;ABYWNQNKBHRIRN-UHFFFAOYSA-N;99.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279735;MM279735;CCNC(C)CC=COC;ROHGASMOEBEJFF-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279736;MM279736;CCNC(C)CC=NOC;CPJBWFQAMZDGRC-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279737;MM279737;CCCC(C)N=CNNC;UNDICEQLADSOOQ-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279738;MM279738;CON=CNC(C)CCN;UDTMOMNQPYMZPH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279739;MM279739;NC(=O)C=COCC=O;WNSROWHUWCGECE-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279740;MM279740;C=NNCC(=O)CCO;UXZLSXLFTGCEEK-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279741;MM279741;CCC=NNC(C)CCN;CTZRRBHLOYLCKV-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279742;MM279742;CC(CCN)NN=CCO;OEJZTMLJHGTSHM-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279743;MM279743;C=C(C(N)=O)C(F)CC;NHXVOPRJJNVWPK-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279744;MM279744;C=NOC(CCO)OC;OLDAIQLAVDVRBI-UHFFFAOYSA-N;133.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279745;MM279745;CC=C(CCO)C(N)=O;RMRVRKCLCDNQRJ-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279746;MM279746;CCC=NNC(C)CNC;ZXQPJSAUXXWOKT-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279747;MM279747;CNCC(C)NN=CCO;JYFPLRFOJGMNQY-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279748;MM279748;CCC=NNC(C)COC;ZHLHBEALGLBXSV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279749;MM279749;C#CC1C(C(N)=O)N1C;KBQGEPWNUMAKDN-UHFFFAOYSA-N;124.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279750;MM279750;CC(CCN)OC=CCN;USWBEMSZBBYDDE-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279751;MM279751;CC(CCO)OC=CCN;GXKQIQQIFBFGBM-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279752;MM279752;COC=COC(C)CCO;SOCHTYJIORASLZ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279753;MM279753;CNCC(C)OC=CCF;YKNOXIVBLXRZMS-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279754;MM279754;COC=COC(C)COC;NLDBCLHSBLYVLS-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279755;MM279755;CNCC(C)OC=NNC;QHJIZQRIQPIHNU-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279756;MM279756;CCC=NOC(C)CCN;ISSXACDXIKOPMZ-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279757;MM279757;C=CN1C=NC(=NC)C1;KNDPGHRJHYKQIL-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279758;MM279758;CNC(=O)NCC(C)(C)C;HUZFOEJFYLKQID-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279759;MM279759;CC(F)(C=CC(N)=O)CF;WNCIJXZRVFICIX-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279760;MM279760;COC=NOC(C)CCF;MMCXQPSGMNBZKU-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279761;MM279761;CNCC(C)ON=CCO;LAEIKZFAWLTLKD-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279762;MM279762;CCOC(C)OC=CCO;INLZMPXQNCJUDU-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279763;MM279763;CCOC(C)OC=COC;QGIXKXJYZMIUQZ-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279764;MM279764;CN(C=NC=O)CC(N)=O;OGQHEOSTHRMRIJ-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279765;MM279765;CCOC(C)OC=NOC;PANCZWNRLWGYLC-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279766;MM279766;CCOC(C)ON=CCN;WXIPIACVJLRTMP-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279767;MM279767;CCOC(C)ON=COC;ZVHHUJYAFBOFOB-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279768;MM279768;CCC=CCN(C)CCC;ULDWVIBANAWPJB-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279769;MM279769;CCCN(C)CC=CCN;OSCRIOSJUUWKPY-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279770;MM279770;CCCN(C)CC=CCO;RWEXCWQTTSDVSN-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279771;MM279771;CCCN(C)CC=CCF;BFHDFKQCLRKNPQ-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279772;MM279772;CCC=CCN(C)CCO;ZWXYJIFNWMDGKX-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279773;MM279773;CN(CC=CCN)CCO;BXFLCFJZRCAZNU-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279774;MM279774;CCCN(C)CC=COC;MJYBARYIMHOXFL-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279775;MM279775;COC=CCN(C)CCN;GFWDCVUNDRWERI-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279776;MM279776;CNN=CCN(C)CCN;QJAGWTCACHGIMB-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279777;MM279777;CNN=CNN(C)CCN;VQBAZCZMBDRBEB-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279778;MM279778;CCCC(C)CC=CC#N;NQCULCYPBFCFBB-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279779;MM279779;C=CC=CCC(N)CCN;HBJBKASHGLSXON-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279780;MM279780;C=CC=CCC(N)CCF;YTKDXASNUQXIFZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279781;MM279781;CC(C=NN)OCC(N)=O;RMGBJDFPVFYBNQ-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279782;MM279782;O=CC=CCC(O)CCO;ITJKWNVPDKIKFO-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279783;MM279783;C=CC=CCC(F)CCC;ZKXCUMMIPJOYQM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279784;MM279784;C=CC=CCC(F)CCN;HQPIZOOTYZANBI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279785;MM279785;O=CC=CCC(F)CCF;OBFNOCGWVFUJGG-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279786;MM279786;C=CC=CCC(C)CNC;NLZBGQCHSHEGPL-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279787;MM279787;CNCC(F)CC=CC#N;XIZUWXBEEUIRBQ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279788;MM279788;COCC(O)CC=CC=O;KQVGUVSBEMOYRM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279789;MM279789;COCC(O)CC=CC#N;BTOIBJYLQYYGOY-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279790;MM279790;C=NN=CCC(C)CCF;DKXHKTONNOAJEX-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279791;MM279791;C=NN=CCC(N)CCC;UFSOZXANDNYQRT-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279792;MM279792;C=NN=CCC(N)CCO;GVBBTIYVMGKQQJ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279793;MM279793;C=NN=CCC(N)CCF;UERGDPPOIHLBDR-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279794;MM279794;C=NN=CCC(F)CCC;LAUTYRSEOHVVHJ-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279795;MM279795;C=NN=CCC(F)CCN;DURGSLPBNYQKMK-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279796;MM279796;C=NN=CCC(F)CCF;IUOKKHMKEYJVLS-UHFFFAOYSA-N;148.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279797;MM279797;C=NN=CCC(C)CNC;ASJLYMLKFJYZOQ-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279798;MM279798;C=NN=CCC(N)COC;MWKFUMWSYXECJK-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279799;MM279799;C=NN=CCC(O)COC;USDKJTGFFANHBP-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279800;MM279800;C=CC=CCC(C)NCC;LXNOBJOXSIKGRD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279801;MM279801;CCOC(C)CC=CC=O;FDAUMDDROLBOOG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279802;MM279802;CC(CCO)NC=CC=O;VVBAJSUIYOUHEE-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279803;MM279803;CNCC(C)NC=CC=O;IGFAWTKQISRUBT-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279804;MM279804;CCCC(C)N=CNC=N;KUNUXOKGRZHSJB-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279805;MM279805;CCCC(C)N=CNC=O;LTXNMGVWIFSCBU-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279806;MM279806;CC(=O)C(=N)NCC(N)=O;JCOYPERHLKQGCJ-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279807;MM279807;CNC(=O)C=CC=C(C)F;GTJMYUUFLFFKSG-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279808;MM279808;COCC(C)N=CNC=N;NJNRZUNHGPTZPF-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279809;MM279809;N=C(CCO)N=C(N)C=O;BRUYPBMTVBUDQU-UHFFFAOYSA-N;143.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279810;MM279810;CCCC(C)NN=CC#N;IAEMPNVSQCVLSF-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279811;MM279811;CN(CC(N)=O)C(=N)C=O;AASMKTMVBMJODZ-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279812;MM279812;N#CCNCC(=O)CCO;TVQJSDCTQSMQQC-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279813;MM279813;C=CC=NNC(C)CCF;ZOZHUAUROWHWPH-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279814;MM279814;C=CC=NNC(C)CNC;FHDWULXPOYDOGQ-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279815;MM279815;CNCC(C)NN=CC=O;IISYRMFSXHEOGA-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279816;MM279816;CCCC(C)OC=CC=O;JSHHUZXVIGSGID-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279817;MM279817;C=NN=COC(C)COC;OAWKQWOZGVTMSS-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279818;MM279818;C=CC=NOC(C)CCC;YBMLIKADFKDWAC-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279819;MM279819;CCCC(C)ON=CC#N;HHTLZNVLBOCCBK-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279820;MM279820;CC=NNCC(=O)CCO;KMZJJADTGOESGT-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279821;MM279821;CC(CCO)ON=CC#N;JYPOWDRILAVFTJ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279822;MM279822;CCOC(C)OC=CC=O;AJJRFBLUJAHCBV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279823;MM279823;CCOC(C)OC=CC#N;VUSBONJWWQQJHR-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279824;MM279824;C=NN=COC(C)OCC;WLHNKQDHWUKBDU-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279825;MM279825;C=CC=NOC(C)OCC;IUAKFZFQWSULME-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279826;MM279826;CCOC(C)ON=CC=O;NGCPVSYXVSZZRY-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279827;MM279827;CCOC(C)ON=CC#N;VMHMAFPNOMCWES-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279828;MM279828;C=CC=CCN(C)CCC;JUAYMLSYZQYCTR-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279829;MM279829;CCCN(C)CC=CC=O;LKAHWRPFOVIHHQ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279830;MM279830;CN(CCN)N=CNC=N;YYIGQPKXZKDHDW-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279831;MM279831;CN(CCN)N=CNC=O;CIMHBSHVIYSBGZ-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279832;MM279832;C=C(CC=CC#N)C(N)=O;ZLDWJZYIJMMORH-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279833;MM279833;C#CC=CCC(C)CCC;BZTXKIMQCBJYNS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279834;MM279834;C#CC=CCC(N)CCN;AVXJAIJENMZJMA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279835;MM279835;C#CC=CCC(O)CCO;YSKSQTOCPVWVHS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279836;MM279836;C#CC=CCC(F)CCN;WIUFXOCAXPQRJY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279837;MM279837;C#CC=CCC(F)CCO;WJXLLGCLNWPWTP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279838;MM279838;C#CC=CCC(C)CNC;MZNBCDWXNQOQBQ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279839;MM279839;C#CC=CCC(N)CNC;JRPBAWIUOXORLW-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279840;MM279840;C#CC=CCC(O)CNC;VICCSOKEELHWMF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279841;MM279841;C#CC=CCC(O)COC;QNXXPZSJXWDHPM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279842;MM279842;C#CC=NNC(C)CNC;GDXHKOLGWBXCFY-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279843;MM279843;C#CC=COC(C)CCC;SISWZWHTQHCQSV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279844;MM279844;C#CC=COC(C)CNC;KOJYDTNTIZICOA-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279845;MM279845;C#CC=NOC(C)CCC;OWZMPJIBHUPAHF-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279846;MM279846;C#CC=NOC(C)OCC;IOJCQVSTZXRUKP-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279847;MM279847;C#CC=CCN(C)CCC;YMNCRHVGHSQZET-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279848;MM279848;C#CC=CCN(C)CCN;VGZHSIBZPUIREQ-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279849;MM279849;C#CC=CCN(C)CCO;AKWVIVBDJQTNIP-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279850;MM279850;C=CCC(C)CC=CCC;HVXOAUWHODWHDQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279851;MM279851;C=CCC(C)CC=CCN;PWWGIKOHBHTGMU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279852;MM279852;CC(CC#N)CC=CCO;YLVUNYJZUSSFNX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279853;MM279853;CC(CC#N)CC=CCF;RIAXSGWJCNEFMT-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279854;MM279854;C=CCC(N)CC=CCC;PAHVXQIJAGXSCC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279855;MM279855;C=CCC(N)CC=CCO;QRGSCAQCXONVNN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279856;MM279856;C=CCC(O)CC=CCN;LFQRSYIQSONASB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279857;MM279857;N#CCC(O)CC=CCO;ZRCIGECGSZGXPC-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279858;MM279858;N#CCC(O)CC=CCF;CYODBXNUIFFHEH-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279859;MM279859;C=CCC(F)CC=CCN;CZYURMZSQUYGKT-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279860;MM279860;C=CCC(F)CC=CCO;QLVVUQKYFSOBRI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279861;MM279861;CCC=CCC(F)CC=O;VMBBLBVBXSCIJP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279862;MM279862;COC=CCC(C)CC=O;RBCYOLHOONPDQN-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279863;MM279863;C=CCC(N)CC=COC;ZUDIFRSUOLHLTI-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279864;MM279864;C=CCC(O)CC=COC;QLMYAKMIMKQQGI-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279865;MM279865;COC=CCC(O)CC#N;UHRZCUMLBXTLGX-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279866;MM279866;COC=CCC(F)CC=O;KNEDBJSNPDSIJW-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279867;MM279867;COC=CCC(F)CC#N;VDWKAROIOUELJW-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279868;MM279868;C=CCC(C)CC=NNC;UBABAIGTNQMVDB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279869;MM279869;CC=CC=CN(N)C(N)=O;YRFLHOKCHDUJMJ-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279870;MM279870;C=C(C=NN)N(C)C(N)=O;ZWSMSDOXQQOSBC-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279871;MM279871;C=CCC(C)CC=NOC;XYGDRLRONHOFMP-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279872;MM279872;CON=CCC(C)CC#N;VZTKZTWJXQPRLX-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279873;MM279873;C=CCC(N)CC=NOC;HDZPCRCRCNNAFV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279874;MM279874;C=NN=C(CCO)NN=C;AFZWHZXSIUREEZ-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279875;MM279875;C=CC=C(CCO)C(N)=O;WBHIZIOITSUKCP-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279876;MM279876;C=CCC(F)CC=NOC;RIYFHWURUOHGLR-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279877;MM279877;CCC=CCC(C)NC=N;LZUHYTIGGXTNEG-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279878;MM279878;CC(CC=CCN)NC=N;PWADUQQZSZHYRY-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279879;MM279879;COC(C)(CF)CNC=O;YRBVKJALIKSICW-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279880;MM279880;COC=CCC(C)NC=N;CRIZCAWVVZZQTP-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279881;MM279881;C=NNC(C)CC=CCC;JNWVDHABEKDZQK-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279882;MM279882;C=CC(=O)NCC(=C)OC;MWLGPSNOILSOHI-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279883;MM279883;C=NNC(C)CC=CCF;UPHVNNWKSIUCRU-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279884;MM279884;CNN=CCC(C)NC=N;QBEJXDWEKXYZJM-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279885;MM279885;CON=CCC(C)NC=N;HAQRYGBGMNZSMW-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279886;MM279886;C#CC(C#N)NC(=N)C=O;AZNUNLKTYZDRRY-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279887;MM279887;C=COC(C)CC=COC;ZXXLZBOTFRHWDG-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279888;MM279888;C=COC(C)CC=NNC;KJUMKCMIVHSTAT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279889;MM279889;C=NOC(C)CC=NNC;XCZBDITVONYNCC-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279890;MM279890;C=CCC(C)NC=NCC;GYTGKSVOUGEGNX-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279891;MM279891;CCN=CNC(C)CC=O;QSFISTDOCUIJEH-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279892;MM279892;C=CCC(C)NN=CCC;CHSOPMGDMGBIEI-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279893;MM279893;COC(CCO)OC=NN;NLSWZLXNHUTCLH-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279894;MM279894;CNc1nc(=O)ccn1N;PGRZXCDCGAJJAY-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279895;MM279895;CC=CN1C=NC(=NC)C1;GRSZRWGDKRVMFM-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279896;MM279896;C=CCC(C)OC=CCC;LNXHSUBSLWQSDX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279897;MM279897;CC(CC#N)OC=CCF;DTBQCIVTGHRNNW-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279898;MM279898;COC=COC(C)CC#N;VDOYAFJCBHWSLK-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279899;MM279899;C=Cc1onc(NC)c1N;JXWDAZBDIWTWMC-UHFFFAOYSA-N;139.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279900;MM279900;Cc1cn[nH]c1;RIKMMFOAQPJVMX-UHFFFAOYSA-N;82.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279901;MM279901;C=CCC(C)OC=NOC;RAVKZRACXUFJNI-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279902;MM279902;Nc1cnc(C=O)o1;LPMJZCTYDPWCOU-UHFFFAOYSA-N;112.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279903;MM279903;C=CCC(C)ON=COC;OYLNEVIIEAUULO-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279904;MM279904;CC(C=O)=C(N)C(N)=O;UNLMDKULNVYJGD-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279905;MM279905;C=COC(C)OC=CCC;HXEWLTKFIGQKCM-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279906;MM279906;C=COC(C)OC=CCN;HTSKHXRFJVNVEL-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279907;MM279907;C=COC(C)OC=CCO;IWVVTDSJAMQDQF-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279908;MM279908;C=COC(C)OC=COC;YBLSCGAWALZGTB-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279909;MM279909;COC=COC(C)OC=O;WSDWLRDAOVAVQI-UHFFFAOYSA-N;146.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279910;MM279910;C=NOC(C)OC=COC;RPUTXUIVWYYQKK-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279911;MM279911;C=C(C#CCC)C(N)=O;NAQAQWQBHIIHMC-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279912;MM279912;C=COC(C)ON=CCC;UNEQFALOSWBPCB-UHFFFAOYSA-N;143.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279913;MM279913;C=CN(NCC)C(N)=O;KJJSJHCKHYWOOX-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279914;MM279914;CCNc1cc(N)on1;VUIFVKIMGCMEAI-UHFFFAOYSA-N;127.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279915;MM279915;C=CCN(C)CC=CCC;RTERCGZXQUYADJ-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279916;MM279916;CN(CC=CCO)NC=N;HTVGERYWDUPVJK-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279917;MM279917;COC=CCN(C)NC=O;GWNXOJGIEODIFW-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279918;MM279918;CNN=CCN(C)NC=N;FMCUMAGTQKRZEW-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279919;MM279919;CC(=O)C(=O)C1NC1C;VNLIQIXQXXWCKE-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279920;MM279920;CCCNC(=O)C1CN1;VHTROKNKNJEZQY-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279921;MM279921;CCN=CNN(C)CC=O;LHSPEESHXZWMCS-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279922;MM279922;CCN=CNN(C)CC#N;GIGIFPRDNOPIQK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279923;MM279923;C=CCC(C)CC=CC#N;PCAPTNHUFYKZJR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279924;MM279924;C=CC=CCC(C)CC=O;BLRSRYZYQCFGMX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279925;MM279925;CC(CC=O)CC=CC=O;RTPNQIFXWVPWOO-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279926;MM279926;CC(CC#N)CC=CC=O;BPRZNXIXOCJUHS-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279927;MM279927;CC(CC=O)CC=CC#N;AOGCHGVYJPXRDX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279928;MM279928;C=CC=CCC(N)CC=C;GVVCNMFNQFWTDR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279929;MM279929;C=CC(=CC(N)=O)CC#N;RVVLUBINVDXBTQ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279930;MM279930;C=CC=CCC(F)CC=C;SPKOBUKBDXFDBD-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279931;MM279931;C=CCC(F)CC=CC=O;XUOGSWYDUWSWCJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279932;MM279932;C=CC=CCC(F)CC=O;UFLVIBKJBURHGE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279933;MM279933;C=CC=CCC(F)CC#N;BOVBTFWVRSOAHB-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279934;MM279934;C=CCC(N)CC=NN=C;SUKUKILDAOENGY-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279935;MM279935;C=CCC(F)CC=NN=C;JQDPIEYXEHJRPT-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279936;MM279936;C=NN=CCC(F)CC#N;GIHZLWJTVCUPAY-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279937;MM279937;C=CC=CCC(C)NC=N;RAMGEPFLEQQLIS-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279938;MM279938;CON=COC=CC(N)=O;GSBOXUINMWAUGP-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279939;MM279939;C=C(C(N)=O)C(=NN)OC;QSWTWXNWYSXBPM-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279940;MM279940;C=CC=CCC(C)NN=C;OELQVBWPPGSMJV-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279941;MM279941;C=NNC(C)CC=CC=O;AVDRTSCDHUIRSI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279942;MM279942;C=NNC(C)CC=CC#N;PCDPJVASMCHBFZ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279943;MM279943;C=NN=CCC(C)NC=N;RAUSHXWGSXMEEU-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279944;MM279944;C=CC=CCC(C)OC=C;OSKUFYBPJFOGBJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279945;MM279945;C=COC(C)CC=CC=O;LSNPTFVZTNBYAN-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279946;MM279946;CC(CC=CC=O)OC=O;BCGLWHASMYWYTD-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279947;MM279947;C=CC=CCC(C)ON=C;SBNWWBMWBMVTAK-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279948;MM279948;C=CCC(C)NC=CC#N;IXZNKSJECIDTQF-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279949;MM279949;C=CCC(C)N=CNC=N;RIRYIFSDMNBOHB-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279950;MM279950;CC(CC=O)N=CNC=O;CKEBVYZWGWNQGD-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279951;MM279951;CNN=C(CCO)NOC;OYZQGFORJKBVIG-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279952;MM279952;CON=C(CC#N)C(F)F;IVQPOSZPDJMYPJ-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279953;MM279953;C=CCC(C)NN=CC#N;CZUPBRHGRBBUAB-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279954;MM279954;NN=CC1CN(C(N)=O)C1;RUJXOPPRJIIABP-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279955;MM279955;C=CC=COC(C)CC#N;JTSMJAHPUNPERE-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279956;MM279956;C=CC=NOC(C)CC=C;DDTKNAKVUNWTIY-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279957;MM279957;CCNN=CCC(=O)CF;PVBFDOUXHPARNL-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279958;MM279958;CC(CC#N)ON=CC=O;CVRXAGQLSSOETO-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279959;MM279959;CC(CC=O)ON=CC#N;WIBSBGRVSUKTCT-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279960;MM279960;CC(CC#N)ON=CC#N;JACUHPFFQZSMRJ-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279961;MM279961;C=CC=COC(C)OC=C;BXCSSMJTBBFHBX-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279962;MM279962;C=COC(C)OC=CC=O;KSGBYFJWVVDGPM-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279963;MM279963;C=COC(C)OC=CC#N;IDNDOPRLSWSVDK-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279964;MM279964;C=COC(C)OC=NN=C;GEVDPGCFDHSNNY-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279965;MM279965;C=NN=COC(C)OC=O;ONOZSIKJXTYVHO-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279966;MM279966;C=NN=COC(C)ON=C;FUVGXHSZWJAFJP-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279967;MM279967;C=COC(C)ON=CC#N;RSGCIEGWQIIYNX-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279968;MM279968;C=CC(N)=C(C#N)CC=O;PIESTAFHXXRBRO-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279969;MM279969;C=NN=CCN(C)CC#N;KEENFRUJZNIRRL-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279970;MM279970;CN(CC=CC=O)N=CN;GDLZUBITODBTAF-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279971;MM279971;CN(CC=CC=O)NC=O;TZYHLZHEYVQROJ-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279972;MM279972;C=NN=CCN(C)NC=O;SMNZJCIRZMPCAP-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279973;MM279973;C#CC=CCC(C)CC=O;QSYJCKUQTGBLFC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279974;MM279974;C#CC=CCC(C)CC#N;YLUPLXUDMXALAH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279975;MM279975;C#CC=CCC(N)CC=C;YSQAUYVAFUQAFE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279976;MM279976;C=CN(C=NOC)CC=O;JKMNQJQQHPTXDY-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279977;MM279977;C#CC=CCC(O)CC#N;VGYKOYAKIFQNLT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279978;MM279978;C#CC=CCC(F)CC=C;IYDBYGLRWRELHY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279979;MM279979;C#CC=CCC(F)CC=O;HJBGCSOACCSNMW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279980;MM279980;C#CC=CCC(F)CC#N;DYHNOEZMRKXKSJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279981;MM279981;C#CC=CCC(C)NC=N;CULSBIFNHLWAJC-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279982;MM279982;C=NOC(C#N)C#CCF;CVAVEFUHHCXVPJ-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279983;MM279983;C#CC=CCC(C)NN=C;MUPNPQWBEWIDKM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279984;MM279984;C#CC=CCC(C)OC=C;NIQKZTHFVLZOLC-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279985;MM279985;C#CC=CCC(C)OC=O;SDKNAJLGJJHTAS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279986;MM279986;C#CC=CCC(C)ON=C;WINGSALFMBGFGQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279987;MM279987;C=CN(CC=NN)C(N)=O;VWYZQKHCNPKNBV-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279988;MM279988;C#CC=COC(C)CC=C;HZCYLRIYEPXZMA-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279989;MM279989;C#CC=COC(C)CC=O;HOSYZLVNMMAZDR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279990;MM279990;C#CCC(=O)C(=NC)NC;QBQKRLJLDNOCLQ-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279991;MM279991;C#CC=NOC(C)CC#N;WARFBEAZYGQDSM-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279992;MM279992;C#CC=COC(C)OC=O;WRLVEYBWSBQNAO-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279993;MM279993;C#CC=NOC(C)OC=C;OHGOBUDCBFLRSH-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279994;MM279994;C#CCC(C)CC=CCC;KZMICBUUEWUOSS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279995;MM279995;C#CCC(C)CC=CCN;QVWZSGDJAMFNCO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279996;MM279996;C#CCC(C)CC=CCO;YLFIWUPIYNUNSR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279997;MM279997;C#CCC(C)CC=CCF;HDTONVROYDYITN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279998;MM279998;C#CCC(N)CC=CCC;AXFDKPDYJSZIGZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM279999;MM279999;C#CCC(O)CC=CCO;UUQUYDBWOUNFLH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280000;MM280000;C#CCC(F)CC=CCC;NHKKOKCXVPLVGR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280001;MM280001;C#CCC(F)CC=CCN;BRRJRXHXWLMGOU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280002;MM280002;C#CCC(F)CC=CCO;WNVGPNWKMAUOLT-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280003;MM280003;C#CCC(C)CC=COC;SNZKQQYOWUXLSU-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280004;MM280004;C#CCC(F)CC=COC;KKSJMXRXHDFLBX-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280005;MM280005;C#CCC(C)CC=NNC;YZFUMPNMNKAVKY-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280006;MM280006;C#CCC(F)CC=NNC;RQMOTACBYJNPBC-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280007;MM280007;C#CCC(C)CC=NOC;WXYQUXVBIVTAER-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280008;MM280008;C#CCC(F)CC=NOC;TXKNJOJMXHBCPI-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280009;MM280009;C#CCC(C)NC=NCC;WWRPCPYDLOQFOA-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280010;MM280010;C#CCC(C)NN=CCC;HRLVMDJWRITCLU-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280011;MM280011;C#Cc1noc(OC)c1N;RCTOWAAWODBTKU-UHFFFAOYSA-N;138.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280012;MM280012;C#CCC(C)OC=CCC;XFKPWCSHCPHCPG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280013;MM280013;C#CCC(C)OC=CCO;XCDNNUSYJVGPDG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280014;MM280014;C#CCC(C)OC=COC;VCCDTJNXENBYEL-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280015;MM280015;C#CCC(C)OC=NOC;MHZLBDKKJXQGMN-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280016;MM280016;C#CCC(C)ON=CCN;OMKLSDLQLSZJJY-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280017;MM280017;C#CCN(C)CC=CCN;QVCOORKGXDDQJN-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280018;MM280018;C#CCN(C)CC=NNC;YFCWBJASBMJRLN-UHFFFAOYSA-N;139.2;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280019;MM280019;C#CCN(C)NC=NCC;DEHRRWRSOSKFAT-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280020;MM280020;C#CCC(C)CC=CC=C;WCVAQMZCKFXKKE-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280021;MM280021;C#CCC(C)CC=CC=O;FIADZLIXLOJZSX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280022;MM280022;C#CCC(C)CC=CC#N;XILJROHOZDOXSB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280023;MM280023;N=C1CN=CN1N;XHASMRRYXTUMPR-UHFFFAOYSA-N;98.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280024;MM280024;C#CCC(F)CC=CC=C;QAFOMKJRVMPWDN-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280025;MM280025;C#CCC(C)CC=NN=C;UPAVGCNGDJDWRC-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280026;MM280026;C#CCC(F)CC=NN=C;GBIPWPVMSOPWPQ-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280027;MM280027;C#CCC(C)NC=CC#N;JKNMJCCUXZURRJ-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280028;MM280028;C#CCC(C)N=CNC=O;PITDWAFDFQQCCY-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280029;MM280029;C#CCC(C)NN=CC=C;OAKGSBBEHMXWDS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280030;MM280030;C#CCC(C)NN=CC#N;HTCAKYWCIBCAIA-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280031;MM280031;C#CCC(C)OC=CC=C;KIUJPSGWVVWVLF-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280032;MM280032;C#CCC(C)OC=CC=O;MXTHBEPOAXWDPB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280033;MM280033;C#CCN(C)CC=NN=C;DQCHNZNBQMJHHS-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280034;MM280034;C#CCN(C)N=CNC=N;CGAJMAYUEPPDKD-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280035;MM280035;C#CCN(C)N=CNC=O;CDPPGGNWDLBYQT-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280036;MM280036;C#CC=CCC(C)CC#C;SGOLLAKLSGEDKL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280037;MM280037;C#CC=CCC(N)CC#C;VKJMQDJKBXQMLQ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280038;MM280038;C#CC=COC(C)CC#C;KSPHWTCLGSPPTA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280039;MM280039;C=C(CC=CCC)CCN;ZWLYMFLULSLSSU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280040;MM280040;NN=CCNC=O;PUODYEWPNLVOCF-UHFFFAOYSA-N;101.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280041;MM280041;O=C(CC=CCF)CCF;RMEIAZGQQDLXGZ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280042;MM280042;O=CCC=NN1CC1;HRQKLNYOGZVWBD-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280043;MM280043;C=C(CC=CCC)CNC;IBQZBDJHOBLWMJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280044;MM280044;C=C(CC=CCO)COC;ORMLTICSZCQOSQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280045;MM280045;C=C(CC=NNC)CCC;ZQDIEWVVCHOPQF-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280046;MM280046;O=CCC(F)C1CN1;YWEPWWIFJSZAOL-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280047;MM280047;C=C(CC=NNC)CNC;PWXLMPFTZWUTIT-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280048;MM280048;CNCC(=O)CC=NNC;CVXUHKGJNQCQLP-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280049;MM280049;CNCC(=O)CC=NOC;NXKHXODQSFRRNR-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280050;MM280050;C=C(CC=NNC)COC;JLESECPJJWSMHA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280051;MM280051;CC(CCO)CNC=O;AHUPNUYEDTTWBY-UHFFFAOYSA-N;131.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280052;MM280052;CCC=CCC(=N)NNC;YFBAJIVWMCIVNU-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280053;MM280053;CCC=CCC(=N)NOC;PZPAUAWNHMFTFJ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280054;MM280054;CNN=CCC(=N)NNC;SCCHUQHXBWBIMW-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280055;MM280055;C=C(C(N)=O)N(C)C=O;ZAYYYQVNHKKBCT-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280056;MM280056;CNNC(=N)CC=NOC;CGMXOUXUBLFGJF-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280057;MM280057;CON=CCC(=N)NOC;WZKMBSUJBKVTKD-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280058;MM280058;C=C(CC=CCO)OCC;BHWTYFMNLUCPDG-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280059;MM280059;CCOC(=O)CC=CCF;KYFHIDRMXCCZIZ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280060;MM280060;CCC=CNC(=N)CCC;SHGCEHFGNLWGQJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280061;MM280061;N=C(CCO)NC=CCF;KJOYLTGBFJSLCX-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280062;MM280062;N=C(CCF)NC=CCO;MPGBHMIHNYGDBZ-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280063;MM280063;CCC=CNC(=O)CCC;ZXPGSHNICAWFGU-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280064;MM280064;CCC=CNC(=O)CCN;VIXSEIGBECYHDN-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280065;MM280065;CCC=CNC(=O)CCF;AGTXKAWMCUAZAS-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280066;MM280066;CCCC(=N)NC=COC;YCRDAKDGLBIXPM-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280067;MM280067;CCCC(=O)NC=COC;BBJCIWNJQOHEOO-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280068;MM280068;COC=CNC(=O)CCO;CTERPTAIMSMGTO-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280069;MM280069;CNCC(=O)NC=CCN;QBHICNQLBARSEH-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280070;MM280070;CNCC(=O)NC=CCF;FQJOGQORWBVUDL-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280071;MM280071;CNCC(=O)NC=COC;SNVGBEABCHYOAF-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280072;MM280072;CCC=CNC(=N)COC;ANJQPYSBYJLKLA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280073;MM280073;COCC(=N)NC=CCO;APDOVMSOHADLNY-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280074;MM280074;COCC(=O)NC=CCN;KSUACLUQINMGFZ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280075;MM280075;COCC(=O)NC=CCF;PTLMMZHSFWGXGF-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280076;MM280076;COC=CNC(=N)COC;SQBAZVRIDFRUPJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280077;MM280077;COC=CNC(=O)COC;OPVLMGPHWABVCJ-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280078;MM280078;C=C(CCC)N=CNCC;PTGWGWARMRJFGV-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280079;MM280079;C=C(CCN)NC=NCC;DCAGAXVIRAOKMB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280080;MM280080;C=C(CCO)NC=NCC;GBMDARFQZCICGJ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280081;MM280081;CCCC(=N)NC=NCC;YRXNBCLWOVHINU-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280082;MM280082;CCN=CNC(=N)CCN;HUYJGDWXKKBGBT-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280083;MM280083;CCN=CNC(=N)CCO;PFAKWANJLSFPNJ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280084;MM280084;CCCC(=O)NC=NCC;AZRSROULHVDTSJ-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280085;MM280085;CNN=CNC(=O)CCN;JULSRYOTVVNFPH-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280086;MM280086;CNN=CNC(=O)CCF;CNJDHJJPTLLTDB-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280087;MM280087;C=C(CCN)NC=NOC;VZCVOEWHXUEJBN-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280088;MM280088;CON=CNC(=O)CCO;IHMYDYWQUNRYDE-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280089;MM280089;CNCC(=O)NC=NNC;ORMLVLAVTLQFOU-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280090;MM280090;CNN=CNC(=O)COC;RIHCTQSJHKPVNZ-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280091;MM280091;CN(C=O)C(=N)CCO;KERVAOAVBHCRRV-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280092;MM280092;CCCC(=O)NN=CCO;XHDUFSQFTDGRAB-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280093;MM280093;CCCC(=O)NN=CCF;VYRAFGDJGDIREW-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280094;MM280094;CCC=NNC(=O)CCN;WSDWJQVWQXTJOK-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280095;MM280095;O=C(CCO)NN=CCO;RWLLAWPISYTUBQ-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280096;MM280096;CCCC(=O)NN=COC;YBOHNUCQMFOOGO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280097;MM280097;CCNC(=O)NC=CCN;ALMZNSHPTXQUNS-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280098;MM280098;CCNC(=O)NC=CCO;GLPSJTQEUBUKPZ-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280099;MM280099;N=C(CCO)N(N)C=O;FMPATVDOTYCPCJ-UHFFFAOYSA-N;131.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280100;MM280100;CNNC(=N)NC=COC;HGZBSHKQWSFBAW-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280101;MM280101;CNC(=O)C(C)=CCF;JSJNPVXYMJRFES-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280102;MM280102;CCC=CNC(=N)NOC;USQQNZYYDFJMOL-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280103;MM280103;CONC(=N)NC=CCN;MLTAZXLRCOJSLB-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280104;MM280104;CONC(=N)NC=CCO;ZHASKLSKQSFCJF-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280105;MM280105;CONC(=O)NC=CCN;GIAKHRKWTWBGAC-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280106;MM280106;CONC(=O)NC=CCO;BTQXSMDAJJUILO-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280107;MM280107;COC=CNC(=O)NOC;XEUBLAGOULIFQA-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280108;MM280108;CCNC(=N)NC=NNC;RIEIEZOACCQIPR-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280109;MM280109;CCNC(=O)NC=NOC;LDUIGULWWNAFKO-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280110;MM280110;CCN=CNC(=N)NNC;OSZSQHHSHBVMOB-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280111;MM280111;C=NOC(C=O)CCO;GMLOWMPUAKLHTQ-UHFFFAOYSA-N;131.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280112;MM280112;CNN=CNC(=N)NNC;LQGCHRTVBSHCJY-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280113;MM280113;CON=C(CCO)NN;BENXVLWSZHUYOT-UHFFFAOYSA-N;133.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280114;MM280114;CNNC(=N)NC=NOC;ODKHFIJCBUNFNP-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280115;MM280115;CNC(=CC=O)C(N)=O;LFLPKBLYFKSBFO-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280116;MM280116;CCN=CNC(=N)NOC;HELQBXJJHFRHIJ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280117;MM280117;CCN=CNC(=O)NOC;RBHGIJLRZDZXFE-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280118;MM280118;CCNC(=N)NN=CCO;WWALMHKZTUTASX-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280119;MM280119;CCC=NNC(=O)NCC;ONKHYVCRNAGOQK-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280120;MM280120;CCNC(=O)NN=CCN;HYHNWLVWSOKSKA-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280121;MM280121;CNNC(=N)NN=CCN;JKUIBRAHESGOEX-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280122;MM280122;CNNC(=N)NN=CCO;UIENCTQPEBSFCL-UHFFFAOYSA-N;145.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280123;MM280123;CNNC(=O)NN=CCN;ZFOBBZZILXSXLM-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280124;MM280124;CC1CN1N=CCC=O;GHPWCWYTVAUPSL-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280125;MM280125;C#CC(F)C=C(C)C(N)=O;XDALRHZNMJFWNC-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280126;MM280126;CCC=CNC(=O)OCC;BQBGSBKBPKCHNP-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280127;MM280127;CCOC(=O)NC=CCF;VERSBPLOTCTRAH-UHFFFAOYSA-N;147.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280128;MM280128;C=C(N=CNCC)OCC;BYMFYSXTFPXWIO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280129;MM280129;C=CC(=O)NC(C)CCF;QOTKKIJMONRWBF-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280130;MM280130;CCOC(=O)NC=NOC;XRQGJEYETXDVLU-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280131;MM280131;CCNC(=O)C=C(N)OC;JPUPHNUELWSRQM-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280132;MM280132;C=C(C#N)C(C)=CC(N)=O;LLYVNNBUVXLUHI-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280133;MM280133;CN(C)N=CC#CCCO;YMCAXSIEYGDISA-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280134;MM280134;C=C(CCN)OC=CCN;GOEHXRZEIUINIQ-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280135;MM280135;C=C(CCN)OC=CCF;QSYWVJORBCFDBQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280136;MM280136;CCC=COC(=O)CCO;WPYYYFGFHXIOIU-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280137;MM280137;C=C(CCO)OC=COC;XTQNBXUZQHSYDC-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280138;MM280138;C=C(CNC)OC=CCF;QLAXDDLWORJYAR-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280139;MM280139;COCC(=O)OC=CCO;DQDHNJDHOLJTDL-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280140;MM280140;COCC(=O)OC=CCF;KTEMFMWUZZJEIV-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280141;MM280141;C=C(COC)OC=COC;AHKRAYLOCZJXJD-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280142;MM280142;NC(CCO)=NN=CC=O;PJVGXYSQUZHTIU-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280143;MM280143;CC#CC(=O)CC=NOC;APTYNHQQVBXAHS-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280144;MM280144;C=C(CCN)OC=NOC;KLLPMJBZXVUPAJ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280145;MM280145;C#CCN(C)N=CCC=O;HESPSPDUNJLGCU-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280146;MM280146;CC(CNCC#N)C(N)=O;NTPMQEZWRTXOOP-UHFFFAOYSA-N;141.17;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280147;MM280147;CC(=O)N(C)C(=N)CCO;GNUQMYFIUQIEGP-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280148;MM280148;NCC=NOC(=O)CCN;LTINALWXMJYCJL-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280149;MM280149;NCC=NOC(=O)CCO;SSLIUGJNKCRMCR-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280150;MM280150;COC=NOC(=O)CCN;UXKOXQSVMIOPJD-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280151;MM280151;C=NNC(CCO)=NNC;WCILBGBQFFUHSC-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280152;MM280152;CNCC(=O)ON=CCN;MXDUSHBYWMRSBC-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280153;MM280153;CON=C(CCO)N(C)N;FSGASEMOSLPNRV-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280154;MM280154;CN(C)C(CCO)=NC=O;SVHFRMZUMJKXPF-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280155;MM280155;CCNC(=O)ON=CCN;QNVVLVSWWQHHNP-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280156;MM280156;CNNC(=O)ON=CCO;CAKMAIJWUQTHTC-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280157;MM280157;CNNC(=O)ON=CCF;WAJZFLWMAVEZPQ-UHFFFAOYSA-N;149.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280158;MM280158;C#CCN1CC(NC=O)C1;GPGNXMYHHBGZSE-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280159;MM280159;C=CC(=O)NCC(C)=NN;PKNSGVZASVNCSD-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280160;MM280160;CC(C)(NNC=O)C(=O)O;OVAISTDUMPBQEJ-UHFFFAOYSA-N;146.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280161;MM280161;CCOC(=O)OC=COC;KBTJXLPGZKUCRI-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280162;MM280162;C=CC=CCC(=C)CCN;YUKWUTKAFYROGH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280163;MM280163;C=C(CC=CC=O)CCF;NQVVPRHOHSORSZ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280164;MM280164;CCCC(=O)CC=CC#N;NXTUANOAHCUCQQ-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280165;MM280165;N#CC=CCC(=O)CCO;NSIYNHXQENYONJ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280166;MM280166;C=CC=CCC(=C)CNC;AWLJBEANONYUNU-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280167;MM280167;C=C(CC=CC=O)CNC;WQRNZGXPCDLWRS-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280168;MM280168;C=CC=CCC(=O)CNC;DXUNOGZOSWBDMU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280169;MM280169;CNCC(=O)CC=CC=O;RMRSAXPAPBJLRS-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280170;MM280170;C=NN=CCC(=C)CCN;ATRWDICQGAVSCD-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280171;MM280171;C=NN=CCC(=C)CCF;FTWZAYPFJOEQGF-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280172;MM280172;C=NN=CCC(=O)CCO;WWEZSYZOWRYNMH-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280173;MM280173;C=NN=CCC(=C)CNC;RIFDNXVSORLVOV-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280174;MM280174;C=NN=CCC(=O)NCC;XRTINFFMFOLULB-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280175;MM280175;CCOC(=O)CC=CC=O;PODUJDZTVDJOCV-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280176;MM280176;CCCC(=N)NC=CC=O;CLDVSKYATZBPRY-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280177;MM280177;C=CC=CNC(=N)CCN;WLCRRBFGXIKRII-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280178;MM280178;N#CC=CNC(=N)CCO;XQTHBPLUOMTYFW-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280179;MM280179;C=CC=CNC(=N)CCF;HUBUHFLDOOHCFI-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280180;MM280180;CCCC(=O)NC=CC=O;CGABDHRWYMKWNK-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280181;MM280181;O=CC=CNC(=O)CCO;GPYPYOOSQXTZTC-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280182;MM280182;N#CC=CNC(=O)CCO;FMZKWNQLFPOCLQ-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280183;MM280183;C=CC=CNC(=O)CCF;URWZHNCTEXRBDT-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280184;MM280184;CNCC(=O)NC=CC#N;JMBBVWNYMGRUGP-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280185;MM280185;COCC(=N)NC=CC=O;QGXMUPZDFUOWHD-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280186;MM280186;C=C(CCC)N=CNC=N;JLVRODFETPYXMT-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280187;MM280187;C=C(CCC)N=CNC=O;VIGSDAONOCVBKO-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280188;MM280188;C=C(CCN)N=CNC=O;MIPQBZWBSMGYMB-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280189;MM280189;C=C(CCO)N=CNC=N;KPEYVJDXHVXISG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280190;MM280190;CCCC(=N)N=CNC=O;WWTBCJJBLBIJIQ-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280191;MM280191;N=CNC=NC(=N)CCO;AVLCMNLMGWEKRN-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280192;MM280192;N=C(CCO)N=CNC=O;ZYGLJWDEAOLOKY-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280193;MM280193;CCCC(=O)NC=NC=N;ZVGSRRKTZWWGCU-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280194;MM280194;CCCC(=O)N=CNC=O;QZZJSRMIQIIUKU-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280195;MM280195;N=CN=CNC(=O)CCO;YDKBVOLENZDQIH-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280196;MM280196;N#CC(=CN)CCC(N)=O;SBQKKHNRILUPQO-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280197;MM280197;C#CC(C=CC(N)=O)=NN;NXAIFOUGBDMQSV-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280198;MM280198;C=NN=CNC(=N)CCC;IYIIRLIQPCLZRT-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280199;MM280199;C=NN=CNC(=O)CCO;PQVOKYRPPVUCEQ-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280200;MM280200;C=C(CNC)N=CNC=N;MBESWIYCBMIOPE-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280201;MM280201;CNCC(=N)N=CNC=N;PAFVIQYIIVZEQK-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280202;MM280202;C=C(COC)N=CNC=N;VXWCDZGYWLEGEI-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280203;MM280203;C=C(COC)N=CNC=O;DTJCGAKVESQLGR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280204;MM280204;COCC(=N)N=CNC=O;PWJFRQZMPNEHSN-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280205;MM280205;COCC(=O)NC=NC=N;BGNKWWADPMFEEU-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280206;MM280206;C=CC=NNC(=N)CCN;ICJVFUNHRYMCQL-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280207;MM280207;NN=C(CCO)N(N)C=O;LARGKLVMVHCZOG-UHFFFAOYSA-N;146.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280208;MM280208;C=NN(C)C(CCO)=NN;VTWWVPBNHQJDBP-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280209;MM280209;O=CC=NNC(=O)CCO;WIHQQNREEXIHKU-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280210;MM280210;CCON=C(CCO)NN;DRSUCQSCEYXFQH-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280211;MM280211;CCNC(=N)NC=CC=O;QXONZCZZEWFNOM-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280212;MM280212;CCNC(=N)NC=CC#N;LFZNITNHXYCTMX-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280213;MM280213;CCNC(=O)NC=CC#N;LPVUUPXTNPJXPX-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280214;MM280214;CNNC(=N)NC=CC=O;NYDGLQVANIMTPN-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280215;MM280215;CNNC(=N)NC=CC#N;HDSYWQZXUWYOTO-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280216;MM280216;CCN(CC)N=CCC=O;HZCOJHKHTWTAPL-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280217;MM280217;CNN(C=O)C(=N)CCO;RVMPLYGROYJIDE-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280218;MM280218;CONC(=N)NC=CC=O;WHCVQYUBXMSDLI-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280219;MM280219;CONC(=O)NC=CC=O;YMXKXPKESACJGJ-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280220;MM280220;C=CN(C=O)C(=N)CCO;BYXJXMIXNBNXCR-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280221;MM280221;CNNC(=N)N=CNC=O;HWUSRAVCTXIDCJ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280222;MM280222;N=CN(C=O)C(=N)CCO;SKTVVJXMIUJRIA-UHFFFAOYSA-N;143.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280223;MM280223;CNNC(=O)N=CNC=O;OANOIIPPVAMDSV-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280224;MM280224;C=NN=CNC(=N)NNC;FJWRHQDYNNVSIG-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280225;MM280225;C=NN(C=N)C(=N)CCO;XHTIOOHCEOZJMO-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280226;MM280226;CONC(=N)N=CNC=N;UTUJOQOAKLWIDH-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280227;MM280227;CONC(=N)N=CNC=O;DPAYCPKHGSARCH-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280228;MM280228;CONC(=O)N=CNC=O;XARMGQMNVXKPTI-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280229;MM280229;C=NN=CNC(=O)NOC;UTFXHOMHPUCNPY-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280230;MM280230;C=CC=NNC(=N)NCC;GOANIPXNXACDHS-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280231;MM280231;CCNC(=O)NN=CC#N;HYNQDSLQRDAVFB-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280232;MM280232;CNNC(=N)NN=CC=O;VWMYMFFIZUMKQJ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280233;MM280233;CNNC(=O)NN=CC=O;YLPDBVZCMMTONI-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280234;MM280234;CNNC(=O)NN=CC#N;BEQHNQHYJFLUNB-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280235;MM280235;C=CC=CNC(=N)OCC;OTYNMJBRLCJOBZ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280236;MM280236;CCOC(=O)NC=CC#N;KOLCUPWPLJTAEQ-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280237;MM280237;C=NN(C=O)C(=N)CCO;YUPQCXCYVGRPLD-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280238;MM280238;CCOC(=O)NC=NC=N;VIYKSHDYHXSAPX-UHFFFAOYSA-N;143.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280239;MM280239;C=NN=CNC(=O)OCC;CTAKXKSLXVCASK-UHFFFAOYSA-N;143.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280240;MM280240;C#CC1NC1CC(=O)NC;WTJBKNNMABUJFX-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280241;MM280241;C=Cc1onc(NN)c1C;MHOKLAHWNITUQG-UHFFFAOYSA-N;139.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280242;MM280242;CCOC(=O)NN=CC#N;MVUCVYAYQHJWDZ-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280243;MM280243;C=CC=COC(=C)CCC;UKGQDPMLHOCCQL-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280244;MM280244;C=C(CCC)OC=CC=O;KEKALTHMWVHETE-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280245;MM280245;C=C(CCC)OC=CC#N;YEGRAXHSEIZDHK-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280246;MM280246;C=CC=COC(=C)CCN;FGFHAYXDAWFVFG-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280247;MM280247;C=C(CCO)OC=CC#N;KTEJZCFFZAIQOM-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280248;MM280248;O=CC=COC(=O)CCO;WRABZZFDEYJABO-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280249;MM280249;C=C(CNC)OC=CC#N;GZIMZJDEXIREFR-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280250;MM280250;C=C(COC)OC=CC#N;ZGQCHWSOKQXVMM-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280251;MM280251;COCC(=O)OC=CC#N;OLRBQXVGKKBDEB-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280252;MM280252;C=NN=COC(=C)CCC;TXXILLMEBAOTHX-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280253;MM280253;C=NN=COC(=C)CCO;CYDGGRRADGSUHZ-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280254;MM280254;C=NN=COC(=C)COC;IDOJGMOUSYFXMU-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280255;MM280255;C=NN=COC(=O)COC;QPBUOPVBUIZJFQ-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280256;MM280256;C=CC=NOC(=O)CCC;UARWSLJIJCSYSD-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280257;MM280257;CCCC(=O)ON=CC=O;ZEHJICUCOCKVML-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280258;MM280258;CCCC(=O)ON=CC#N;ZSILPLYDUNYAPN-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280259;MM280259;C#Cc1[nH]nc(NC)c1C;NXJAIAMHGBIBEB-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280260;MM280260;O=CCNN=CCCCO;MKQADQJMNZMZJM-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280261;MM280261;C=CC1CN1N=CCC=O;SKMYHRFRAVCCCY-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280262;MM280262;CNNC(=O)ON=CC=O;SMONRUQKJPPYBQ-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280263;MM280263;O=Cc1ncc2[nH][nH]cc1-2;YNBDUSNLSRPVFD-UHFFFAOYSA-N;135.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280264;MM280264;O=CNCCCF;NWWJADLTHWOQPP-UHFFFAOYSA-N;105.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280265;MM280265;C=NN(C=O)CCC(=O)O;SOSYYZPNOQERGS-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280266;MM280266;CCOC(=O)OC=CC=O;HBIBNNJCJMOWBC-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280267;MM280267;C=NN=COC(=O)OCC;NLZPSSACPGMIAT-UHFFFAOYSA-N;144.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280268;MM280268;CCOC(=O)ON=CC#N;SCDOKJGFDFKAKO-UHFFFAOYSA-N;142.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280269;MM280269;C#CC=CCC(=O)CCC;PYTNKQULXRWRLV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280270;MM280270;C#CC=CCC(=C)CNC;RGPKNOOFPLZCLQ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280271;MM280271;C#CC=CCC(=N)NOC;OZTLIFBPUVXSPL-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280272;MM280272;C#CC=CNC(=O)CCN;ZVOWLUZPTWQSSN-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280273;MM280273;C#CC=CNC(=O)CCF;DCXASACQHGKRIO-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280274;MM280274;C#CC=NNC(=O)CCN;XXUNXSBURMMFTC-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280275;MM280275;CNc1cc(N)on1;BYSTYWSVDAOHGX-UHFFFAOYSA-N;113.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280276;MM280276;C#CC=CNC(=N)NCC;NIJBPSLIYBUUEH-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280277;MM280277;C#CC=CNC(=N)NNC;QQFUMJPQNAGDDI-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280278;MM280278;CNC(=O)C1NC1C;IPGXMQWZXOIXKD-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280279;MM280279;C#CC=CNC(=N)NOC;WBUVFITUHDUAGI-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280280;MM280280;C#CC=NNC(=N)NCC;VVGQJBOCLRGRID-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280281;MM280281;C#CC=NNC(=N)NNC;KREXDSUZOJEGQB-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280282;MM280282;CNC(=O)C1CN1C;RLKPDBLMGDNFCR-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280283;MM280283;C#CC=NNC(=O)OCC;DLMLURKFIUBJKN-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280284;MM280284;C#CC=COC(=C)CCC;OCDRTHYTKAGKMC-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280285;MM280285;C#CC=COC(=C)CCN;MOJZSSYHHLEENU-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280286;MM280286;C#CC=COC(=O)CCN;SYABCRQURLVWEP-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280287;MM280287;C#CC=COC(=O)CCO;PGFVNUNFHKSQDW-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280288;MM280288;C#CC=NOC(=O)CCC;BSBBWCHRMHRWDS-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280289;MM280289;C#CC=COC(=O)OCC;KHTXSUPXLCQATN-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280290;MM280290;C=CCC(=C)CC=CCC;KYQLLLANRREJOZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280291;MM280291;C=CCC(=C)CC=CCN;DBJVPXIEHROYHV-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280292;MM280292;C=CCC(=C)CC=CCO;GTSXZVASBGLSNJ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280293;MM280293;C=C(CC#N)CC=CCC;AVIHHUAJPJVVNB-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280294;MM280294;C=C(CC=O)CC=CCF;VGXLBONMMWJCNP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280295;MM280295;C=C(CC#N)CC=CCF;VOVWLXOFHUNDAX-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280296;MM280296;C=CCC(=O)CC=CCO;PWJWDTBCOTWKBL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280297;MM280297;C=CCC(=C)CC=COC;RJBLMRXMLUUJQN-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280298;MM280298;C=CCC(=C)CC=NNC;KPMFSHRTBHVDCK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280299;MM280299;CC(=O)NCC(C)=NN;UZVOXIDDPWMGDD-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280300;MM280300;C=C(CC#N)CC=NOC;NCNYIHHJLSEUIT-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280301;MM280301;NC(=O)C=COCCF;NGXWSBRWGQGYOR-UHFFFAOYSA-N;133.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280302;MM280302;C=C(CC=CCC)NC=N;OUFIAOICMCMTOE-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280303;MM280303;C=CNC(=N)CC=CCF;PWQQHYSAVLVZMB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280304;MM280304;CCC=CCC(=N)NC=N;AOJDKNVMZOANGG-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280305;MM280305;CON=C(C#N)CCO;KMPNVDFXMBDXBS-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280306;MM280306;C#CC(CCO)=NNC;OHZZAXHBHMBFFC-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280307;MM280307;CCC=CCC(=O)NC=O;NWQYGSCZPICBHQ-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280308;MM280308;C=CNC(=N)CC=COC;SIEVWOLIYZXZBQ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280309;MM280309;COC=CCC(=N)NC=N;GLOYDTMJGXLYLT-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280310;MM280310;CC1=CC(=NN)CC1F;BYBJKKYAZJVJEU-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280311;MM280311;COC=CCC(=O)NC=O;VWVPLMCOGFIOTE-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280312;MM280312;C=NNC(=N)CC=CCN;VWLYNMJCSFXREJ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280313;MM280313;CC(=O)C(=O)CN1CC1;LMKXZGSKIIGEOX-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280314;MM280314;C=COC(=C)CC=CCO;OYZBEDWCVFSXCB-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280315;MM280315;C=COC(=O)CC=COC;FPUBULVDWBXFMU-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280316;MM280316;C=NOC(=O)CC=CCC;NJKPHKDJKWTJAK-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280317;MM280317;C=NOC(=O)CC=COC;XPMYWXZRICJRFM-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280318;MM280318;C=NNC1CC1NC=O;QRCDHOFUIOLMNN-UHFFFAOYSA-N;127.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280319;MM280319;C=CCC(=N)NC=CCC;QUKZTJBUSNBJTF-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280320;MM280320;CCC=CN=C(N)CC=O;SCISGTSJDCNIBW-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280321;MM280321;CCC=CNC(=N)CC#N;BHFBIOBNJHQYHR-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280322;MM280322;C=CCC(=O)NC=CCC;VZWIEDSURUXSTC-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280323;MM280323;C=CCC(=O)NC=CCO;BPLFDLBYFCJNPA-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280324;MM280324;CCC=CNC(=O)CC=O;SFRHODLPXAETNL-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280325;MM280325;CCC=CNC(=O)CC#N;MNJKURNMIWXKAG-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280326;MM280326;COC=CN=C(N)CC=O;ZLIWRAIAUVZYSP-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280327;MM280327;C=CCC(=C)NC=NCC;SSVLDSABFOUCBT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280328;MM280328;C=C(CC=O)NC=NCC;QRAIEAFBBCPNOZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280329;MM280329;C=C(CC#N)NC=NCC;PWHMCXZOBHGWTP-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280330;MM280330;C=CCC(=N)NC=NCC;CKQXYQGIOKTFBV-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280331;MM280331;CCN=CNC(=O)CC=O;NNGLBACZDJXGRC-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280332;MM280332;CNN=CNC(=O)CC=O;KUVSIPZLVQHVFH-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280333;MM280333;O=CC(=O)C1NC1C=O;RTRZYIBAHHYANC-UHFFFAOYSA-N;127.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280334;MM280334;CCC=NNC(=O)CC=O;QOYNKODHPXZGGT-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280335;MM280335;CCC=NNC(=O)CC#N;YSIHEEVCCZRHMY-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280336;MM280336;N#CCC(=O)NN=CCO;VCMLRBZCCBYYCW-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280337;MM280337;C=CNC(=N)NC=CCC;LHIXNGLGOFWQEQ-UHFFFAOYSA-N;139.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280338;MM280338;C=CNC(=N)NC=CCN;MINIUJRHXJKDCL-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280339;MM280339;N=CNC(=N)NC=CCO;NNFPAGQKNNUJOZ-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280340;MM280340;N=C(NC=O)NC=CCN;WGLFQBKEZUTVJF-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280341;MM280341;N=C(NC=O)NC=CCO;RBPIPFSHCUBZEL-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280342;MM280342;N=C(NC=O)NC=CCF;BSJHQMCEVCWEBD-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280343;MM280343;C=CNC(=O)NC=CCC;FZEDJHSFSITAJO-UHFFFAOYSA-N;140.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280344;MM280344;C=CNC(=O)NC=CCO;QQQLVYVFEPIJKZ-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280345;MM280345;C=NNCC(=O)C(C)(C)F;VCNFFBVIGZTUEN-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280346;MM280346;N=CNC(=O)NC=CCN;ONVUDRFQAPVIDF-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280347;MM280347;NCC=CNC(=O)NC=O;ABJXWERVCYQVCN-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280348;MM280348;O=CNC(=O)NC=CCO;GVYAIJZRXBLWBO-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280349;MM280349;COC=CNC(=N)NC=N;HALJZXDXZHROKC-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280350;MM280350;CC(C)(CCO)CNC=O;RMDYEKIPQYNRBK-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280351;MM280351;C=NNC(=N)NC=CCC;JKOPLUYAFBXFGO-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280352;MM280352;C=NNC(=N)NC=CCN;KJOCQYUSUCRTPB-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280353;MM280353;C=NNC(=N)NC=CCO;OXVVLCXCISBZPM-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280354;MM280354;C=NNC(=O)NC=CCN;XEHOUPYXTNVGFQ-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280355;MM280355;C=NNC(=N)NC=COC;BBEJNTMEXMGKKR-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280356;MM280356;CCN=CNC(=N)NC=N;DQFJRCVPRUPERR-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280357;MM280357;C=CC(F)(C=NN)CCO;AFEBFLJOAVWLTL-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280358;MM280358;C=C(NC=N)NC=NNC;RWRZJTGQJSBHLH-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280359;MM280359;C=CNC(=N)NC=NNC;SJYVGFCTUQXPTP-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280360;MM280360;C=CNC(=O)NC=NOC;BVEYZSKSESPVQD-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280361;MM280361;CON=CNC(=O)NC=O;NBGKYIJJHAMCQL-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280362;MM280362;N=CNC(=N)NN=CCF;GFQWUPJCTQGPDT-UHFFFAOYSA-N;145.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280363;MM280363;COC=C(F)C=CC(N)=O;NWKXCUGRAOZQBG-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280364;MM280364;CCC=NNC(=O)NC=O;JUVNDVXBPMKDNQ-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280365;MM280365;C=NNC(=O)NN=CCC;XUCVKRCUAJPOFC-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280366;MM280366;C=NOC(=N)NC=CCN;JZHMBBOTKGBNLB-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280367;MM280367;NC(=O)C=CCC(F)CF;WCRTUUUKRPIGQX-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280368;MM280368;CN(C)N=C(C#N)CCO;VFPIRZLNMQCQQZ-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280369;MM280369;C=NOC(=O)NC=CCO;XOOWNWWBSMVIIU-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280370;MM280370;C=COC(=C)NC=NCC;CLHCBDUWHUKQSD-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280371;MM280371;C=COC(C=O)=CC(N)=O;XHUKORUICRBLSU-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280372;MM280372;C=CCC(=C)OC=CCC;VXKHFFJXLMNRDH-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280373;MM280373;C=CCC(=C)OC=CCN;PNFHEYUNVCEVLA-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280374;MM280374;C=C(CC=O)OC=CCC;HSZWWRSDQZFYJV-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280375;MM280375;C=C(CC#N)OC=CCC;VGWPVLUZKYEDGM-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280376;MM280376;C=C(CC=O)OC=CCF;WOOPZDALQQNAPT-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280377;MM280377;C=C(CC#N)OC=CCF;DVYZNWMCRBDOFB-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280378;MM280378;C=CCC(=O)OC=CCC;HULSVVLAJXVBPV-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280379;MM280379;CCC=COC(=O)CC#N;GJFAROOOEDTVKX-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280380;MM280380;O=CCC(=O)OC=CCO;XKZPQCLMRPPFHD-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280381;MM280381;C=C(CC#N)OC=COC;BSCINFDCTYYFFD-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280382;MM280382;CCC=NOC(=O)CC#N;WRZODFAGEACBBA-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280383;MM280383;N#CCC(=O)ON=CCO;MMDZGEKGIFWUJG-UHFFFAOYSA-N;142.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280384;MM280384;COC=NOC(=O)CC=O;JHXXTVCLTNBQIL-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280385;MM280385;C=C(NC=N)OC=CCC;YWJCCTNPDOXVAF-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280386;MM280386;C=C(NC=O)OC=CCC;ZZXFARNDCIIOQR-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280387;MM280387;C=C(NC=O)OC=CCN;QJBYNXTWAHAGCK-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280388;MM280388;C=C(NC=O)OC=CCF;QWQXFDAGPLOEQQ-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280389;MM280389;C=CNC(=O)OC=NNC;SZAHZFAEZMPCIQ-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280390;MM280390;CON=COC(=O)NC=O;NCMQSWWSCCNAGJ-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280391;MM280391;N=C(NC=O)ON=CCO;PZBUBVUULRCJQD-UHFFFAOYSA-N;145.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280392;MM280392;C=CNC(=O)ON=CCN;FIVHQNNLVZLDIA-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280393;MM280393;C=CNC(=O)ON=CCF;GLQAKRRXLJINRR-UHFFFAOYSA-N;146.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280394;MM280394;N=CNC(=O)ON=CCN;FRSFSTOOEXPVCD-UHFFFAOYSA-N;144.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280395;MM280395;N=CNC(=O)ON=CCO;XBKLKFMEDRLPGM-UHFFFAOYSA-N;145.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280396;MM280396;NCC=NOC(=O)NC=O;ZHZUHFMHORBUGZ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280397;MM280397;O=CNC(=O)ON=CCO;JJJBGESULAPAGH-UHFFFAOYSA-N;146.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280398;MM280398;O=CNC(=O)ON=CCF;NJAJKSSGLIKBQC-UHFFFAOYSA-N;148.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280399;MM280399;C=CNC(=O)ON=COC;WFHOPCVSZXQPRW-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280400;MM280400;COC=NOC(=O)NC=N;PALPTVFGDLUVGX-UHFFFAOYSA-N;145.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280401;MM280401;COC=NOC(=O)NC=O;UTSANGPIAZQKRY-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280402;MM280402;C=NNC(=O)ON=CCF;MDLARPZUYWTBHN-UHFFFAOYSA-N;147.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280403;MM280403;C=CCC(=O)CNCC#N;ZZBVWDYXSMHGSJ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280404;MM280404;C=NOC(=O)OC=CCF;LYKRPWTVRYJXET-UHFFFAOYSA-N;147.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280405;MM280405;C=NOC(=O)OC=COC;WLGVRAANUBPPDW-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280406;MM280406;C=NOC(=O)ON=CCN;VPXAKNMLWSDBTC-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280407;MM280407;CN(C=CC=NN)C(N)=O;FTLGLSOBYUAWSH-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280408;MM280408;C=CC=CCC(=C)CC=C;CURJCFDKHWKEAT-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280409;MM280409;C=CCC(=C)CC=CC=O;MAIWLZISJOVULJ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280410;MM280410;C=CCC(=C)CC=CC#N;LAUBXTJWWRQWQP-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280411;MM280411;C=CC=CCC(=C)CC#N;IWAMJPKESQXZDH-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280412;MM280412;C=C(CC=O)CC=CC=O;YIVRCACNSMDTCD-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280413;MM280413;C=C(CC#N)CC=CC=O;SAKSEDVJRCXCSK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280414;MM280414;C=C(CC=O)CC=CC#N;OJXQCNPUXNZSTH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280415;MM280415;C=CC=CCC(=O)CC=C;GNCBJZCBJXGREL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280416;MM280416;C=CCC(=O)CC=CC=O;YVGNKIPSFMZFJX-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280417;MM280417;C=CCC(=O)CC=CC#N;MHSDIXOKOWQWMB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280418;MM280418;N#CCC(=O)CC=CC=O;JZRMIYHRMRPXAQ-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280419;MM280419;C=CCC(=C)CC=NN=C;FMVSQGKGVSPMOQ-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280420;MM280420;CC=CC(=NNC)C(N)=O;TWSBQBVBPNFXSB-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280421;MM280421;C=NN=CCC(=O)CC#N;OILKHFCKAAQQNQ-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280422;MM280422;C=CC=CCC(=N)NC=C;PHZVFMUFWIRSEA-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280423;MM280423;CC(C)N(C=NN)C(N)=O;YIJCDRXHJBYWPY-UHFFFAOYSA-N;144.18;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280424;MM280424;C=CNC(=O)CC=CC=O;XJPYJRQBYCCKRX-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280425;MM280425;O=CC=CCC(=O)NC=O;UIYJDJGCQAFLLY-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280426;MM280426;C=CNC(=N)CC=NN=C;MISYXWPJPGRLJC-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280427;MM280427;C=CCC(=N)NC=CC#N;XATYWGXGBLWETN-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280428;MM280428;N=C(CC=O)NC=CC=O;ZRBSYMZHBPVOAA-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280429;MM280429;N#CCC(=N)NC=CC=O;XSPLHOJVTWLSIX-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280430;MM280430;C=CC=CNC(=O)CC=C;VCXSATNMMRNTJT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280431;MM280431;C=CCC(=O)NC=CC=O;HUGRPPFOTLYANN-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280432;MM280432;C=CCC(=O)NC=CC#N;KJZWAABRFAFQFQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280433;MM280433;C=CC=CNC(=O)CC#N;SZFSRMFFVQYMAO-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280434;MM280434;N#CCC(=O)NC=CC=O;BLLVBOOLVUGLOI-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280435;MM280435;N#CCC(=O)NC=NC=N;HKTLMLBUPVTINI-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280436;MM280436;C=COc1cc(C)c(N)[nH]1;WAOMEFZLIGVQFH-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280437;MM280437;C=CC(C#N)C=CC(N)=O;NWVYCMGPZJTPKP-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280438;MM280438;C=CCC(=O)NC=NN=C;XIYQXHAGLRERDM-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280439;MM280439;CC=C(C#N)C=CC(N)=O;JXAWPQJIXCNPHI-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280440;MM280440;C=CC=NNC(=O)CC=O;KLJQAJHWCQBTTP-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280441;MM280441;C=CC=NNC(=O)CC#N;XGQMIQKNTLIGLR-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280442;MM280442;C=C(NC=N)NC=CC=O;BPHGHYNBIHZAGF-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280443;MM280443;N#CC=CNC(=N)NC=N;IEBKTKADLJEWSB-UHFFFAOYSA-N;137.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280444;MM280444;C=CC(=O)NC1(C=C)CC1;OAIHMUVLPAKAIG-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280445;MM280445;N#CC(CCO)=NNC=N;XPUMLLYCQGLEMY-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280446;MM280446;O=CC=CNC(=O)NC=O;UXFQWPSHLVWYJD-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280447;MM280447;N#CC=CNC(=O)NC=O;ABSCXLAFSYNTKB-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280448;MM280448;C=NNC(=N)NC=CC=O;QGGVRQKWXVBIGX-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280449;MM280449;C=NNC(=O)NC=CC#N;HKTNHNKFNZUVBR-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280450;MM280450;C=C(N=CNC=O)NC=N;KBCRLCRLKVTHRR-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280451;MM280451;C=C(N=CNC=N)NC=O;OURHWKUIIKHZJE-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280452;MM280452;C=CNC(=N)N=CNC=O;FTJDJIJJPWQTIA-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280453;MM280453;N=CNC=NC(=N)NC=O;NEELLPGQCDFDGD-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280454;MM280454;C#CC(CCO)=NOCC;RKKQYOKHSODRDJ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280455;MM280455;CNNC(=N)N(C=O)C=O;YQDXFTBSHOPUGC-UHFFFAOYSA-N;144.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280456;MM280456;C#CC1(C=O)NC1CC=O;AAPGZJGWJGJXPB-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280457;MM280457;N=CNC(=O)N=CNC=O;FPXQYVLLQBVRBW-UHFFFAOYSA-N;142.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280458;MM280458;C=CCC(=O)C1CN1N=C;RYSQCRLZJDIBOT-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280459;MM280459;C=NN=CNC(=N)NC=N;AQLWWTJOZRFBNQ-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280460;MM280460;C=CC=NNC(=N)NC=C;WGUPSMICNCAHQN-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280461;MM280461;C=CNC(=N)NN=CC=O;KFQUIUMCSIVXON-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280462;MM280462;N=CNC(=N)NN=CC=O;ZLZQLISHKBDSME-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280463;MM280463;CNN=CCNC(C)=O;HFCXDUXRCGSLOE-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280464;MM280464;C=NOC(=O)NC=CC=O;VKDXJAZEXHMWML-UHFFFAOYSA-N;142.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280465;MM280465;C=COC(=C)N=CNC=O;FKGUTFJOFHCGNE-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280466;MM280466;C=C(N=CNC=N)OC=O;UNSZKQDXNCSGPK-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280467;MM280467;N=C(N=CNC=O)OC=O;HSLLJBDMPINXRA-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280468;MM280468;C#CC(CCO)ON=C;DIOSBHZVOZYMJV-UHFFFAOYSA-N;127.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280469;MM280469;C#CC(=CCC)C(N)=O;SPSFESSOGDDMPJ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280470;MM280470;C=NOC(=N)N=CNC=O;JQPCPHRYJBGUBI-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280471;MM280471;C=NOC(=O)N=CNC=O;JQVPSLYSSRTNJR-UHFFFAOYSA-N;143.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280472;MM280472;C=CC=NNC(=O)ON=C;VXRUGWGQCACXEE-UHFFFAOYSA-N;141.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280473;MM280473;C=CC=COC(=C)CC=C;HHCBVDGLGFSGEY-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280474;MM280474;C=CCC(=C)OC=CC=O;ZLHCEOHBSAHWIO-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280475;MM280475;C=CC=COC(=C)CC#N;ITASUFXYBRNHDP-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280476;MM280476;C=C(CC#N)OC=CC#N;RUPYZQQOPPCVOF-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280477;MM280477;C=CCC(=C)OC=NN=C;WGGBRZFQPXCQOO-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280478;MM280478;C=CC=NOC(=O)CC#N;QQEWIWBHHDGPAO-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280479;MM280479;C=CC=COC(=C)NC=N;SHODTPXEOHQNNF-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280480;MM280480;C=CC=COC(=C)NC=O;SOCSUEOAAKQCSO-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280481;MM280481;C=C(NC=O)OC=CC=O;SDKGHHVDKAJHIA-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280482;MM280482;C=CNC(=O)OC=NN=C;HEZFCOBZDUIKIF-UHFFFAOYSA-N;141.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280483;MM280483;C=NN=COC(=O)NC=O;CYCKVFZVKKUCRA-UHFFFAOYSA-N;143.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280484;MM280484;N=C(NC=O)ON=CC=O;VJQONACFGPXVLT-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280485;MM280485;N#CC=NOC(=O)NC=N;XZCZFSQPZJXJOJ-UHFFFAOYSA-N;140.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280486;MM280486;CC1C(=O)OC(=N)N1C;DUVRSLMDLXGPIS-UHFFFAOYSA-N;128.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280487;MM280487;C=COC(=O)OC=CC#N;PVUNSQPJMMBGMW-UHFFFAOYSA-N;139.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280488;MM280488;C=COC(=O)OC=NN=C;CBDPVQXJPSRPRW-UHFFFAOYSA-N;142.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280489;MM280489;C=NN=COC(=O)ON=C;WSCAXUAGTBNING-UHFFFAOYSA-N;143.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280490;MM280490;C=CC=NOC(=O)OC=C;PLQLTZCTSWNZOP-UHFFFAOYSA-N;141.13;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280491;MM280491;C#CC=CCC(=C)CC=C;ZXGAZLLHUTUACX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280492;MM280492;C#CC=CCC(=C)CC=O;QKBYUTNSGPCWDX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280493;MM280493;C#CC=CCC(=O)CC=C;NRCJPUOGVFMSLG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280494;MM280494;C#CC=CCC(=C)NC=O;DARVMIIJYYQVIS-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280495;MM280495;C#CC=CCC(=N)NC=C;SLEHENXBRRCBEN-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280496;MM280496;C#CC=CCC(=N)NC=N;RFWURRKWSUIBRL-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280497;MM280497;C#CC=CCC(=O)NC=C;RFLFULDKIFKUOH-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280498;MM280498;C#CC=CNC(=N)CC#N;PTHXNJTZRBRDAZ-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280499;MM280499;C#CC=NNC(=O)CC=O;FRKCPVWWKSOJPE-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280500;MM280500;C#CC=CNC(=N)NC=N;LWQCMNAIFPYUCI-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280501;MM280501;C#CC=CNC(=N)NC=O;UOORFHBZDIUBGX-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280502;MM280502;C#CC=CNC(=O)NC=O;CLZPKGVWGFXZDT-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280503;MM280503;C#CC=NNC(=O)NC=C;WIJBTKTTYRTVMN-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280504;MM280504;C#CC=COC(=C)CC=C;WKLRLDDOVOODJJ-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280505;MM280505;C#CC=COC(=C)CC#N;ISAYGMCQPYTPGO-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280506;MM280506;C#CC=COC(=O)CC=C;XUCWCSBJAPMJJA-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280507;MM280507;C#CC=COC(=O)CC#N;GPNDDGTUNLTROJ-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280508;MM280508;C#CC=NOC(=O)CC#N;QHSDWUJATAVVMC-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280509;MM280509;C#CC=COC(=C)NC=N;SRVSBPZKRUIVNX-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280510;MM280510;C#CC=COC(=C)NC=O;SEAWOQZDIDTONB-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280511;MM280511;CNc1cnc(C=O)o1;BNGJOWKLQQAHMY-UHFFFAOYSA-N;126.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280512;MM280512;C#CC=COC(=O)ON=C;FQULMTZXNXXQCT-UHFFFAOYSA-N;139.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280513;MM280513;C#CCC(=C)CC=CCC;CRGPRSZWVNFLAT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280514;MM280514;C#CCC(=C)CC=CCN;MDPPMDVNOLUZFR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280515;MM280515;C#CCC(=C)CC=CCO;STDQYMZVSIZABC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280516;MM280516;C#CCC(=C)CC=NNC;JFKXUTFQWXXPTH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280517;MM280517;C#CCC(=N)NC=CCO;PGFJAMJCAATZEH-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280518;MM280518;C#CCC(=O)NC=CCC;XTKDZMZDPBBOOM-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280519;MM280519;C#CCC(=O)NC=CCO;LJZBLNXKLRFRBF-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280520;MM280520;C#CCC(=C)NC=NCC;PRBXGFLVMVEKNO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280521;MM280521;C#CCC(=O)NC=NCC;LRKIUTJWOPDHIS-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280522;MM280522;C#CCC(=O)NC=NNC;USEPPXLHFZBFMR-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280523;MM280523;C#CCC(=C)NC=NOC;SXFNSVFZIWPCSR-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280524;MM280524;C#CCC(=O)NC=NOC;LKLMCCHQZWPOGU-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280525;MM280525;C=CC(C)(CCF)NC=O;ALRUFQNBGRFPPS-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280526;MM280526;C#CCC(=O)NN=CCO;MNYWDVWEUBPCIH-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280527;MM280527;C#CCC(=C)OC=CCC;HETSMVOPAQFMOS-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280528;MM280528;C#CCC(=C)OC=CCN;HEJFYUWVSRLTAP-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280529;MM280529;C#CCC(=C)OC=CCO;FCWVRAYCLIRJRE-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280530;MM280530;C#CCC(=O)OC=CCC;MPDOXZRCGJVOEY-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280531;MM280531;C#CCC(=O)OC=CCN;NZIJGGXIQITOOV-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280532;MM280532;C=C(C=CC(N)=O)CC#N;OUHPRJYWDUHPKO-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280533;MM280533;C#CCC(=O)OC=NOC;DCHIKOSIOYTIEG-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280534;MM280534;C#CCC(=O)ON=CCC;PSSXWYHGGRDBOM-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280535;MM280535;C#CCC(=O)ON=COC;KSXYFJPIUOGPCE-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280536;MM280536;C#CCC(=C)CC=CC#N;FPFCATPJOTVEKB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280537;MM280537;C#CCC(=O)CC=CC=C;CYIGRFZSZPDKMW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280538;MM280538;C#CCC(=O)CC=CC#N;AKVAKJGPJMIXOZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280539;MM280539;C#CCC(=N)NC=CC=O;ROOYWZGRMQPVCV-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280540;MM280540;C#CCC(=O)NC=CC=O;KKVFHSANVCBDRU-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280541;MM280541;C#CCC(=N)N=CNC=N;ATGRAOQVVRAKMQ-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280542;MM280542;C#CCC(=N)N=CNC=O;BKKDQIMECRUPRB-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280543;MM280543;C#CCC(=O)NC=NC=N;CBAMMVKXFLRYJP-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280544;MM280544;CCC(C)=NOCC(N)=O;VRTRHMUWABMNPC-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280545;MM280545;CON=CCCNC(C)=O;OEGXJOROTTYEFZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280546;MM280546;C#CCC(=O)NN=CC=C;MOERQGWUIMOCKW-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280547;MM280547;C#CCC(=C)OC=CC=C;NQZYTNYMSFJYQM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280548;MM280548;C#CCC(=C)OC=CC#N;QWZIMVAEYNDOOF-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280549;MM280549;C#CCC(=O)OC=NN=C;XDFUQJRFHPUOQA-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280550;MM280550;C#CCC(=O)ON=CC=C;LXYDHTXWARYAPI-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280551;MM280551;C#CCC(=O)ON=CC#N;ASWRCGRHXGTHIB-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280552;MM280552;C#CC=CCC(=C)CC#C;MYGLIJJHSRWDEX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280553;MM280553;C#CC=CCC(=O)CC#C;NFGYDLXNZVYECU-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280554;MM280554;C#CC=CNC(=O)CC#C;LFNPDRKEQXFFPM-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280555;MM280555;C=C(CCO)OC=NNC;IHCYLUCSKKQPHZ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280556;MM280556;C#CC=NNC(=O)CC#C;URRCFHHGNYYJBG-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280557;MM280557;C#CC=COC(=C)CC#C;LHKXGJGBGJJMJG-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280558;MM280558;C#CC=NOC(=O)CC#C;UTVLJCRHEALKAV-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280559;MM280559;CC=CC(C)CC=CCC;XHISTTNAOOJHGF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280560;MM280560;CC=CC(C)CC=CCN;PZKLQHWGBWLHAI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280561;MM280561;CC=CC(C)CC=CCF;LWQQXHDNWCJZGG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280562;MM280562;CC(C=CF)CC=CCN;BLGTVXWTRQCUQT-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280563;MM280563;CC=CC(N)CC=CCC;YMWUGPFFLZHFIH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280564;MM280564;CC=CC(N)CC=CCN;AZZUYMHAAMJHJW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280565;MM280565;CC=CC(N)CC=CCO;DEHUMCUASZUPTP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280566;MM280566;CC=CC(N)CC=CCF;PWOPMIXSFZBSFL-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280567;MM280567;CC#CC=CC(=O)NCC;SEKNIBDAUHIBDT-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280568;MM280568;CC=CC(O)CC=CCN;XAFIQKIZFKJGNX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280569;MM280569;CC=CC(O)CC=CCO;SSOYRMSZNGWZQV-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280570;MM280570;CC=CC(F)CC=CCC;ZOFNLKCLTVUHIH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280571;MM280571;CC=CC(F)CC=CCN;RNIIGEOGMHFEAC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280572;MM280572;CC=CC(F)CC=CCO;XRISWZROPAFSMA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280573;MM280573;CC=CC(F)CC=CCF;RTDWUIYULMFOAQ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280574;MM280574;NCC=CCC(F)C=CF;GXQOXMCWIPXDFM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280575;MM280575;CC=CC(C)CC=COC;WIJKXXWCLBDPOX-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280576;MM280576;COC=CCC(N)C=CF;QPRSLVIWNMQDQL-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280577;MM280577;CC=CC(O)CC=COC;GORHOVJMGOSNCV-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280578;MM280578;CCC=CCC(C)C=NN;HLYQVOGBNOGGOA-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280579;MM280579;CC(C=NO)CC=CCN;OLJHUGUVXDSLIA-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280580;MM280580;CC(C=NO)CC=CCF;CYQLVUOCZWMJEC-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280581;MM280581;CC=CC(C)CC=NNC;SHNVDWASVIQMDX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280582;MM280582;CC=CC(C)CC=NOC;FMRISAIHRPKMNV-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280583;MM280583;CC=CC(N)CC=NOC;HMRDQCDCBWBZFB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280584;MM280584;CC=CC(F)CC=NOC;TWLJDXICGDBPGU-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280585;MM280585;C=CC(C=O)=C(N)C(N)=O;CDGOBXYRPAWRGP-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280586;MM280586;CCN=CNC(C)C=NO;AQDMVUQKHUSPTI-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280587;MM280587;CON=CNC(C)C=NN;LVCGJBKIRVBFJD-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280588;MM280588;CON=CNC(C)C=NO;DRXVQINMVUYWCD-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280589;MM280589;C=CCC#CC(=C)C(N)=O;QPCOXQDQPOXNOQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280590;MM280590;CC=CC(C)OC=CCC;FMQHKOBWQVWDJX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280591;MM280591;CC=CC(C)OC=CCO;FXLVRJXPHUFWSP-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280592;MM280592;CNN=C(C)N(C)C(N)=O;VDTNXLODLIGROT-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280593;MM280593;N=c1nncc(CC=O)o1;ZDJVHHDNPNAURT-UHFFFAOYSA-N;139.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280594;MM280594;CC=CC(C)ON=CCC;IIRVNXJFDNNIEZ-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280595;MM280595;N=c1cc(CCO)ocn1;VUXDXJSMCFROTB-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280596;MM280596;C#CC(C=C)=CC(=O)NC;CMTSFTOMIPPKRA-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280597;MM280597;CN(C=NN)CC=CCO;WPRVDAQZKOOVJH-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280598;MM280598;COC(C=CC(N)=O)=CF;UVLZWUAXIGFTAQ-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280599;MM280599;CNC(=O)C=CC=NOC;XDUFUJFGUYWGGJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280600;MM280600;C=NN=CC=CC(=O)NC;NNSNSKKUXJFZGC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280601;MM280601;CCC=CCN(O)C=NO;NPRCNKMGCXYVPW-UHFFFAOYSA-N;144.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280602;MM280602;COC=CCN(C)C=NN;HHNPNSJVWPHQLY-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280603;MM280603;CC=NOC(C#N)CCO;OWZBPBFDTQQNKS-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280604;MM280604;C=CC#CC(OC)ON=C;SWAQYMKVKJWOEL-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280605;MM280605;COC=CCN(O)C=NO;HCASDKMWJWVXAD-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280606;MM280606;C#CC(C(N)=O)=C(C)C=C;IUIGOCAYXJVRIP-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280607;MM280607;CCN(C=NNC)C(N)=O;OCXVKHOEYMAFJZ-UHFFFAOYSA-N;144.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280608;MM280608;CCNC(=O)C1(CC)CN1;UEIXOIWCNNZCTQ-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280609;MM280609;CNN=CCN(O)C=NO;YZOJAIRKUCAMTD-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280610;MM280610;C=CC=CCC(C)C=CC;VFTUQFRZDFWGNM-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280611;MM280611;CC=CC(C)CC=CC#N;BAHMHHFYUPPWAK-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280612;MM280612;CC(C=CF)CC=CC=O;BFQRDZJVZXZIDM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280613;MM280613;C=CC=CCC(N)C=CC;CFXROZYGOSRGSD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280614;MM280614;NN=c1occ(CCO)o1;WAZJTQUUQIIJMC-UHFFFAOYSA-N;144.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280615;MM280615;C#CCc1cc(NN)no1;KRQUTVSTFCMHQP-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280616;MM280616;Nc1cc(N)on1;IBIBVXBQQRMTRC-UHFFFAOYSA-N;99.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280617;MM280617;O=CC=CCC(O)C=CF;KSJUWSURGIOVRE-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280618;MM280618;N#CC=CCC(O)C=CF;CXSNDGDEQOFRQB-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280619;MM280619;CC=CC(F)CC=CC#N;PALGRIQUWSMPCP-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280620;MM280620;O=CC=CCC(F)C=CF;HTUMJRLDFWFQKY-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280621;MM280621;C=CC=CCC(C)C=NN;CONFEZYNACVJTF-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280622;MM280622;CC(C=NO)CC=CC=O;XLDXRZAFJLBLFY-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280623;MM280623;CC(C=NO)CC=CC#N;UNNPVXJMFWBJDQ-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280624;MM280624;C=CC=CCC(N)C=NO;LKZQJEHSGWTUOE-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280625;MM280625;C=NN=CCC(N)C=CC;GDSUNUZGOUBHFD-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280626;MM280626;C=NN=CCC(F)C=CC;VWUNNRHOOKAGJK-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280627;MM280627;CC=CC(C)NC=CC=O;ZMIBCYXDEGJACY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280628;MM280628;CC(C=CF)NC=CC=O;XXVOFVGNOKKNMI-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280629;MM280629;CC=CC(C)N=CNC=N;FMEVHTPJXDSPAZ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280630;MM280630;CC=CC(C)N=CNC=O;ZRYAAPGSNJFOOS-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280631;MM280631;CC(C=CF)N=CNC=N;DQDPJHYEOOYLEA-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280632;MM280632;O=CCC1(CF)CN1;JCHZTOKXHYCKFN-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280633;MM280633;CN=C1NCC(=O)O1;LSJCXNQUTQPUIK-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280634;MM280634;C=NNC=NC(C)C=NO;VZWXFOMADCXTLJ-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280635;MM280635;CC=CC(C)NN=CC#N;ZEZWSNARSCPZIX-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280636;MM280636;C=CC=NNC(C)C=CF;DJCQTENGNBBBKD-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280637;MM280637;CC(C=CF)NN=CC#N;DGJABUGAJOIXRE-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280638;MM280638;C=CC=NNC(C)C=NO;JIIJWVCYKWAPQF-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280639;MM280639;C=CC=COC(C)C=CC;RAKOREFFXHQWCM-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280640;MM280640;CC=CC(C)OC=CC=O;NBOQYSBZDHFPNW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280641;MM280641;C=CC=COC(C)C=NN;ZDFDSZLXKFMWBO-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280642;MM280642;C=CC=COC(C)C=NO;XSNITELBOBOLHZ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280643;MM280643;C=NN=COC(C)C=CC;LKSVISWSGIGUOD-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280644;MM280644;CC=CC(C)ON=CC=O;XLEWMSUFSJMUEX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280645;MM280645;CC=CC(C)ON=CC#N;YGNDMSDOIWAOEG-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280646;MM280646;CC1N=CN(N)C1=N;JQGQYGCZXOMUDU-UHFFFAOYSA-N;112.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280647;MM280647;O=CC=CCN(O)C=NO;KZSHZPOZXOHNBY-UHFFFAOYSA-N;144.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280648;MM280648;CC(=CC(N)=O)C(N)=O;HWYGBPPFPNZPGQ-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280649;MM280649;C=CC=CCN(C)N=CC;XOGIWTJYSVSWDE-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280650;MM280650;C=NN=CCN(C)N=CC;PCTDFOZBKOTFSC-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280651;MM280651;CN=CN(C)NC=CC#N;JDEFUTFJACBUGA-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280652;MM280652;CN(C=NN)N=CNC=N;ZPKUEBATUNQYPS-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280653;MM280653;CN(C=NO)N=CNC=N;KPFJFNCSALFGFS-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280654;MM280654;CN(C=NO)N=CNC=O;PRECZWFLIOZETH-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280655;MM280655;COC=NNCC(N)=O;XGMDZLKJTICNQA-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280656;MM280656;C=NNC=NN(C)C=NO;ZKNYJKPUFBWEIF-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280657;MM280657;C#CC=CCC(C)C=CC;MVAANFRKVZHPOO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280658;MM280658;C#CC=CCC(C)C=CF;CGSQLZLPTTYWIS-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280659;MM280659;C#CC=CCC(N)C=CC;NRAWGDBMSOVABK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280660;MM280660;CNN=C(C=O)CCO;RXFGMBSAAAAYFB-UHFFFAOYSA-N;130.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280661;MM280661;C#CC=CCC(F)C=CC;KESLGZRZJHMBLA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280662;MM280662;C#CC=NNC(C)C=NN;FDPIKRPEVCXJIX-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280663;MM280663;C#CC=NOC(C)C=CC;BCXZWSHSMJILPT-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280664;MM280664;C#CC=NOC(C)C=NN;SNOUUXMSOOCCQI-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280665;MM280665;C#CC=CCN(C)C=NN;VJPJYBRODSVJPT-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280666;MM280666;C#CC=CCN(N)C=NC;ZWBJEGITVMHDHW-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280667;MM280667;CC=NN1CC1C(N)=O;IERRMJLPZIXZKH-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280668;MM280668;C#CC=CCN(O)C=NO;AEBGADWDEQOZJR-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280669;MM280669;C=C(C=CC)CC=CCC;MBZGATDWHHJAKL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280670;MM280670;C=C(C=CC)CC=CCO;AGRSCSUKHBFWAM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280671;MM280671;C=C(C=CF)CC=CCC;NGZQXHHKULYSMR-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280672;MM280672;CC=CC(=O)CC=CCC;YSELSMZRBQISND-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280673;MM280673;CC=CC(=O)CC=CCO;GYWYNNIGQXKPGQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280674;MM280674;CC=CC(=O)CC=CCF;WGIGJOGHYKZZCW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280675;MM280675;CCC=CCC(=O)C=CF;SLNGNEAODYCHNU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280676;MM280676;CC=CC(=O)CC=COC;GKQAXDUTKUMHJW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280677;MM280677;C=C(C=NO)CC=CCO;QSMLEMBHAGOEFY-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280678;MM280678;CCC=CCC(=O)C=NO;DPJQLYYWWCJKPD-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280679;MM280679;C=C(C=NN)CC=COC;XCNPAATVGGJFEQ-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280680;MM280680;C=C(C=CC)CC=NNC;PEJWUFBZRAWOPE-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280681;MM280681;C=C(C=CC)CC=NOC;MKRXXLVTMQQBPV-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280682;MM280682;C=C(C=NN)CC=NNC;XQMMHTVJPKUVDB-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280683;MM280683;CC=CC(=N)NC=CCC;DGJXSIAGAOFORU-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280684;MM280684;CC=CC(=N)NC=CCO;LPLHXKUTQARDSO-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280685;MM280685;N=C(C=CN)NC=CCO;QMKNEHZCVFCSSN-UHFFFAOYSA-N;141.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280686;MM280686;CC=CC(=O)NC=CCF;GMRRYQHGILCQLV-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280687;MM280687;NC=CC(=O)NC=CCN;HZJZHFHQQLYSSW-UHFFFAOYSA-N;141.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280688;MM280688;CC=CC(=N)NC=COC;STEAXIAQRWCCRE-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280689;MM280689;COC=CNC(=N)C=CF;PJORFPNMVIRVNJ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280690;MM280690;CCC=CNC(=N)C=NN;IGBKZDPLXQATCV-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280691;MM280691;N=C(C=NN)NC=CCF;WLXAQACGEAGRFK-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280692;MM280692;N=C(C=NO)NC=CCN;FCPJDTMEZBOQPD-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280693;MM280693;COC=CNC(=O)C=NN;WJOGMBVRHJBGBA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280694;MM280694;COC=CNC(=O)C=NO;CKVMMTMRQFKDET-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280695;MM280695;C=C(C=CC)NC=NCC;SPCPRMHEARYRHB-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280696;MM280696;CCN=CNC(=N)C=CN;NKVCQRRCVBNTJG-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280697;MM280697;O=CNCC1(C=O)CC1;DXJGMWVKWUEGFT-UHFFFAOYSA-N;127.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280698;MM280698;CNc1cc(NC)on1;MEAOBGLPQYXSDI-UHFFFAOYSA-N;127.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280699;MM280699;C=C(C=CC)NC=NOC;FHXXBPKUNGESTO-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280700;MM280700;CON=CNC(=O)C=CN;FNFVVOBWROANIX-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280701;MM280701;CNN=CNC(=O)C=NO;UFEVKWKQERSXRR-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280702;MM280702;O=C(CF)N=CN1CC1;AHONIUIFNWUYPL-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280703;MM280703;CON=CNC(=O)C=NO;YTDFLAWDEGGQAM-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280704;MM280704;NN=C(CCO)C(F)(F)F;JPSUCZITDFTHSP-UHFFFAOYSA-N;156.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280705;MM280705;CN(C)N=CN(C)C(N)=O;YHAOVLCTSTUFIK-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280706;MM280706;N=C(C=NO)NN=CCO;GOFGELPGYWZKCD-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280707;MM280707;N=C(C=NO)NN=CCF;HCTFFCGBBJOXRO-UHFFFAOYSA-N;146.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280708;MM280708;CCC=NNC(=O)C=NN;BDUQGAORVRRUBT-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280709;MM280709;NN=CC(=O)NN=CCO;YRQTYKVYPIHBJN-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280710;MM280710;O=C(C=NO)NN=CCO;MNQSVRPWKKQGTD-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280711;MM280711;COC=NNC(=O)C=NN;HYSHTPGQEXTIDY-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280712;MM280712;COC=NNC(=O)C=NO;TZQYFBJDNJMLJF-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280713;MM280713;C=C(C=CC)OC=CCC;HJJFPPZPWRSION-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280714;MM280714;C=C(C=CF)OC=CCC;OGRQNURVAICONB-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280715;MM280715;CCC=COC(=O)C=CN;TUBWSZUHLLPYMH-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280716;MM280716;NC=CC(=O)OC=CCN;CYGIDYFECOFMTJ-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280717;MM280717;C#CC(C)=CC(=O)NCC;IYXLVLMOSQQKGP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280718;MM280718;C=C(C=NO)OC=CCO;OJWSLKFWMLLJNJ-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280719;MM280719;C=C(C=NN)OC=COC;BLRRTGFFJDVWLV-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280720;MM280720;C=C(C=NO)OC=COC;WNOHRLYLNXVJOU-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280721;MM280721;CON=COC(=O)C=CF;SMBIODVYNROLJX-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280722;MM280722;NN=C(C=C(F)F)CCO;BFBCKBWGBSTNGA-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280723;MM280723;NC=CC(=O)ON=CCN;ZXTPFSDJCZVSIR-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280724;MM280724;C=NOCCCNC(C)=O;IAKXZHKRRCVJAH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280725;MM280725;COC=NOC(=O)C=CF;RDMWAHXYBSRFRJ-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280726;MM280726;C=NN=CCCNC(C)=O;HGJSZIRUACAPKM-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280727;MM280727;NN=C(CO)CC(=O)O;UERDISLXMLSQEA-UHFFFAOYSA-N;132.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280728;MM280728;C=CC=CCC(=C)C=CC;WXGDWKJWANBUBC-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280729;MM280729;C=C(C=CC)CC=CC#N;DQERDKWRWIGLFZ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280730;MM280730;C=CC=CCC(=O)C=CC;WGNNIRHHHXFMPY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280731;MM280731;CC=CC(=O)CC=CC=O;FDPXRPILRVPXGU-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280732;MM280732;CC=CC(=O)CC=CC#N;XLTZEQPDFIJPTH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280733;MM280733;C=CC=CCC(=O)C=CN;GMPFLSVFKHUWHL-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280734;MM280734;C=CC=CCC(=O)C=CF;PSDXPIUSCMGSEN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280735;MM280735;CONC(=N)C(F)CCO;OMRBMIWWGVRFPG-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280736;MM280736;C=CC=CNC(=N)C=CC;RIONLYWBIHOODC-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280737;MM280737;CC=CC(=N)NC=CC=O;HCAIMPVMRKPSJM-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280738;MM280738;N#CC=CNC(=N)C=CN;DWEWRUIOWKOQSJ-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280739;MM280739;C=CC=CNC(=O)C=CN;QBYCQLWUHQXZFF-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280740;MM280740;NC=CC(=O)NC=CC=O;UPOZSTXXBMUHOD-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280741;MM280741;C=CC=CNC(=O)C=CF;RLBSDVKKMIQXOM-UHFFFAOYSA-N;141.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280742;MM280742;O=CC=CNC(=O)C=CF;PCEFXDJTKXIMQM-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280743;MM280743;N#CC=CNC(=O)C=CF;GWHZCOGJTGOSJA-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280744;MM280744;N#CC=CNC(=O)C=NO;PCBSEFQWMNYNLW-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280745;MM280745;C=C(C=CC)N=CNC=N;GQBWXRKJDBSSJF-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280746;MM280746;C=C(C=CF)N=CNC=N;ORZGXAIFSSMNJS-UHFFFAOYSA-N;141.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280747;MM280747;N=CNC=NC(=N)C=CF;MQEKTWXUFZXVNK-UHFFFAOYSA-N;142.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280748;MM280748;NC=CC(=O)N=CNC=O;WIAGEKNHTYKNKG-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280749;MM280749;N=CN=CNC(=O)C=CF;OVBVIZVAAJVDAT-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280750;MM280750;C=NN=CNC(=O)C=CC;AENDIQSXQPJLGI-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280751;MM280751;C=C(C=NN)N=CNC=N;HNDLNFHOPSDTHT-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280752;MM280752;C=C(C=NN)N=CNC=O;IUBFZZRVWLMTLD-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280753;MM280753;C=C(C=NO)N=CNC=O;UBFAFARFNCKINV-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280754;MM280754;N=C(C=NN)N=CNC=O;BAHWLJMVBITEJL-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280755;MM280755;N=C(C=NO)N=CNC=O;YKHFNWJSWGVHRU-UHFFFAOYSA-N;142.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280756;MM280756;N=CN=CNC(=O)C=NN;WPEKUTQZRKFSIO-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280757;MM280757;C#CC(C=O)C(=C)C(N)=O;KJYMAMRESUQDIR-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280758;MM280758;CNN=C(C=CF)CCO;NAPGNVQQCOTKJH-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280759;MM280759;Cn1c(F)cc(=O)nc1N;LNEBSBVFWHQTAN-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280760;MM280760;C=NN=CC(=C)CNC=O;QJGQETHRVXCEHW-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280761;MM280761;O=CC=NNC(=O)C=CF;OBSFVDCLXUJTGP-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280762;MM280762;C=CC=NNC(=O)C=NN;CXWLNUZVHNUMNI-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280763;MM280763;N#CC=COC(=O)C=CN;IBEMNTLDHFPHJW-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280764;MM280764;C=C(C=NO)OC=CC#N;NJWWBAWGSJXEGR-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280765;MM280765;C=NN=COC(=C)C=NN;DZLSLKRUPIEYIB-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280766;MM280766;C=NN=COC(=C)C=NO;SZJAUVHQDDWVKN-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280767;MM280767;C=NOCC=CC(=O)NC;RSPKCXVXYZUJFW-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280768;MM280768;C=CC=NOC(=O)C=CF;CKVBGRWWIZCGTR-UHFFFAOYSA-N;143.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280769;MM280769;O=CC=NOC(=O)C=CF;DCKNJDYCRLXSOG-UHFFFAOYSA-N;145.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280770;MM280770;N#CC=NOC(=O)C=CF;JSSKJEPPOABOOJ-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280771;MM280771;CC#Cc1noc(=NC)[nH]1;PNDGEMGSKMMDJS-UHFFFAOYSA-N;137.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280772;MM280772;C#CC=CCC(=O)C=CC;VMQBLZJGCMWWOE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280773;MM280773;C#CC=CCC(=O)C=CF;XJIAIEZEESKRHK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280774;MM280774;C#CC=NNC(=O)C=NN;QFYTVOVMQHWSCY-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280775;MM280775;C#CC=COC(=C)C=CC;OSFARSKFQYNZRB-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280776;MM280776;C#CC=COC(=C)C=CF;GKEAHTNSKJWCOW-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280777;MM280777;C#CC=COC(=O)C=CC;UMLNEMNLLUMROO-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280778;MM280778;C#CC=COC(=O)C=CN;QULXXIMJNPXPSA-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280779;MM280779;C#CC=COC(=O)C=CF;REFKCTRHUJQJGH-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280780;MM280780;CNC(=O)C=CNCC=O;FBCFHUGQRGTJDS-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280781;MM280781;C#CC=NOC(=O)C=CF;XWKHCTCEWMTWDE-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280782;MM280782;CC#CC(C)CC=CCC;GLJVUEGHENYLRC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280783;MM280783;CC#CC(C)CC=CCN;GTZPILHCHWWPEK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280784;MM280784;CC#CC(C)CC=CCO;RWKNFTVHPIIBFR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280785;MM280785;CC#CC(N)CC=CCN;SQOKZMRYNRCSKC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280786;MM280786;CC#CC(N)CC=CCO;QQJMJAHZCMVKBV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280787;MM280787;CC#CC(N)CC=CCF;HYYSTBAXEKHMQJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280788;MM280788;CC#CC(O)CC=CCC;QGZIYDFUQJRHEA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280789;MM280789;CC#CC(O)CC=CCN;IOXDHVJYQSWVJS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280790;MM280790;CC#CC(O)CC=CCO;OEMDOCPINLOXOV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280791;MM280791;CC#CC(O)CC=CCF;BDGOCTQGVHVVTE-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280792;MM280792;CC#CC(F)CC=CCC;UPPASYJJINRHJS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280793;MM280793;CC#CC(F)CC=CCN;OYVDCDUCRQJQPF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280794;MM280794;CC#CC(F)CC=CCO;JJOCRVWFQNLSEG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280795;MM280795;CC#CC(F)CC=CCF;WLZORXGBRHQSLR-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280796;MM280796;CC#CC(C)CC=COC;HKHGYYMIGFWIMH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280797;MM280797;CC#CC(N)CC=COC;PNZCDBBAFBGQOY-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280798;MM280798;CC#CC(O)CC=COC;WLBWIKCAIGINMY-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280799;MM280799;CC#CC(C)CC=NNC;ASBFRXLQLZOMJA-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280800;MM280800;CC#CC(N)CC=NNC;OIVSKLVUKLWLPI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280801;MM280801;C#CC(F)C(CCO)=NN;BXBKDYOBZIHWFE-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280802;MM280802;CC#CC(C)CC=NOC;IPZDBWRPONWCJE-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280803;MM280803;C#CC(=C)C(CCO)=NN;KPGUNPIHYXVZCF-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280804;MM280804;CC#CC(C)NC=NOC;IAFVRCAFLCVPBU-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280805;MM280805;CC#CC(C)NN=CCC;UFWLVWOZRMNOJT-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280806;MM280806;C#CCC(CF)CNC=O;LMINIIHRJZCCME-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280807;MM280807;CC#CC(C)OC=CCC;LLLBFTXHJOKRSE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280808;MM280808;CC#CC(C)OC=CCN;ACMPERYPRJOZSV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280809;MM280809;CC#CC(C)OC=CCO;ZRPZSUVYBWKARH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280810;MM280810;CC#CC(C)OC=COC;GHKZRUIXYBOHRN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280811;MM280811;C#CC=CC(CCO)=NN;RWDFHFCLCXZMHP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280812;MM280812;CC#CC(C)ON=CCC;UUTVJQBVDCKTNG-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280813;MM280813;CC#CC(C)ON=CCN;WFCJBGRMMCBXEW-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280814;MM280814;C=CC(CCO)=NOC=O;SRRMAWGLZPCDKN-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280815;MM280815;CC#CC(C)ON=COC;QXZKWYFUQRPZBE-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280816;MM280816;C=CC=CCC(C)C#CC;NOQFOANHCRVXDI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280817;MM280817;CC#CC(C)CC=CC=O;DASNUEVWICWFLV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280818;MM280818;CC#CC(C)CC=CC#N;DWNZAWBLRPGYGR-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280819;MM280819;C=CC=CCC(N)C#CC;YWJIUPOQCLEDMW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280820;MM280820;C=CC=CCC(O)C#CC;VDQANHDBIZFBKW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280821;MM280821;CC#CC(O)CC=CC=O;JJRSNFIXTXVTQC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280822;MM280822;CC#CC(O)CC=CC#N;JLBLDWALLJQXNF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280823;MM280823;C=CC=CCC(F)C#CC;WRVLMHNFNXWDFK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280824;MM280824;CC#CC(F)CC=CC=O;ZLMBSJDZKHSMQX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280825;MM280825;C=NN=CCC(C)C#CC;BIFOYXAEZCFSOQ-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280826;MM280826;C=NN=CCC(N)C#CC;YQHMWUSNXZYNNQ-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280827;MM280827;C=NN=CCC(O)C#CC;HFNDBJUCUYSVKG-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280828;MM280828;C=NN=CCC(F)C#CC;FBTDDNXSHVOHMO-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280829;MM280829;CC#CC(C)NC=CC=O;BDCDVADPCGOKFE-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280830;MM280830;CC#CC(C)NC=CC#N;NSCCVCLYUWYVPW-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280831;MM280831;CC#CC(C)N=CNC=N;AQIPMTKSBWAEEZ-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280832;MM280832;N=CN(C=O)C(=NN)NN;JIPXMZGZAYWHPJ-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280833;MM280833;C=CC=NNC(C)C#CC;FYXIQRWOLTZNOS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280834;MM280834;CC#CC(C)NN=CC#N;CPKVDLGPXWAXMY-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280835;MM280835;C=CC=COC(C)C#CC;ZNRBTGBEIGOILL-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280836;MM280836;CC#CC(C)OC=CC=O;SIVBBILMNYFRAC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280837;MM280837;CC#CC(C)OC=CC#N;FBLJHRHXBCECTI-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280838;MM280838;C=NN=COC(C)C#CC;VEOPMFLGPFLUGM-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280839;MM280839;C=CC=NOC(C)C#CC;JQICYRBXGGIUNF-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280840;MM280840;CC#CC(C)ON=CC=O;XYEQDWIQGQSUNE-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280841;MM280841;CC#CC(C)ON=CC#N;OLVKNDUWDYTZEC-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280842;MM280842;C#CC=CCC(C)C#CC;DEGUIGPONFADLJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280843;MM280843;C#CC=CCC(N)C#CC;GRNHGEYIFABSBH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280844;MM280844;C#CC=CCC(O)C#CC;LEGAZTUKLUQUAR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280845;MM280845;C#CC=CCC(F)C#CC;IJXMVVHUSLGTEK-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280846;MM280846;COC=NNC(C=O)CF;WAPFPRQDRGDQTO-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280847;MM280847;C#CC=COC(C)C#CC;JZSKBZLQFWRZEC-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280848;MM280848;C#CC=NOC(C)C#CC;SPCQVDGKIZSVSM-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280849;MM280849;C=C(C#CC)CC=CCN;CNZKJANVGNTQMG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280850;MM280850;CC#CC(=O)CC=CCC;XGSSACQSIZJAOZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280851;MM280851;CC#CC(=O)CC=COC;MZZVARICPLBUPY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280852;MM280852;C=C(C#CC)CC=NOC;QMHFAFLYJWSRSW-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280853;MM280853;NN=C(NN)C(F)CCO;HZTKRAKQYFNVQN-UHFFFAOYSA-N;150.16;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280854;MM280854;CC#CC(=N)NC=CCC;CQOLQEHYDUUDAG-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280855;MM280855;CC#CC(=O)NC=CCN;QUSHGLBKZBAADG-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280856;MM280856;CC#CC(=O)NC=COC;DLTQQVWPHXVICU-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280857;MM280857;C=C(C#CC)NC=NCC;HKXGTXKIJJBNAR-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280858;MM280858;CC#CC(=O)NC=NCC;BUPIMLIROIWCCJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280859;MM280859;CC#CC(=O)NC=NNC;ZAKHWUDYFCNCKE-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280860;MM280860;C=C(C#CC)NC=NOC;HXWNWTDWDZQHOP-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280861;MM280861;CCCc1cc(NN)n[nH]1;PTPXSYTWUFGEJA-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280862;MM280862;C=NNC=NN=CCCO;WXHSBZJNUCRPLH-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280863;MM280863;CC#CC(=O)NN=CCC;KNKUNJNRGPYNFJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280864;MM280864;CC#CC(=O)NN=CCF;PMUCSDSRMSCFKL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280865;MM280865;CC#CC(=O)NN=COC;VUEFMEJDWGMLBC-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280866;MM280866;C=C(C#CC)OC=CCC;RYAUDIZXVWPWMX-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280867;MM280867;C=C(C#CC)OC=CCN;YHCSZVHVLRYJPZ-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280868;MM280868;C=C(C#CC)OC=CCO;JPVYOSHWOHHCGG-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280869;MM280869;CC#CC(=O)OC=CCC;NNMPMVKSVXBBDE-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280870;MM280870;CC#CC(=O)OC=CCN;SBTHCJRFBYONAN-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280871;MM280871;CC#CC(=O)OC=CCO;NYKBVIMVSBIWFL-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280872;MM280872;CC#CC(=O)OC=CCF;USUGWPXJCZPGQK-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280873;MM280873;C=C(C#CC)OC=COC;GDMDTCRQTLXYMB-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280874;MM280874;CC#CC(=O)OC=COC;ACXHLFZBESTVAA-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280875;MM280875;C=NN=CNN=CCC=O;NMJFBMTXHNFDGN-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280876;MM280876;CC=C(C#CC1CN1)CO;SIEIVJNGVQNFRA-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280877;MM280877;C=C(C#CC)OC=NOC;LAGDATQVGLWFGO-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280878;MM280878;CC#CC(=O)ON=CCC;XXMXCGKNZUYYNQ-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280879;MM280879;N=C1NCC(=O)O1;JZJGGWZIRGGIDK-UHFFFAOYSA-N;100.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280880;MM280880;C=CC=CCC(=C)C#CC;IVMSWTDQFBDBFL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280881;MM280881;C=C(C#CC)CC=CC=O;VANOLEARYZCUCY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280882;MM280882;C=C(C#CC)CC=CC#N;QFOYFMDXITVIJY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280883;MM280883;C=CC=CCC(=O)C#CC;WITIDQJTKHPYPI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280884;MM280884;C=NN=CCC(=C)C#CC;SLPSCQABPCVZKY-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280885;MM280885;C=NN=CCC(=O)C#CC;QYRYDGUDENILRY-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280886;MM280886;C=CC=CNC(=N)C#CC;MEJPKTCUNKKEBX-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280887;MM280887;CC#CC(=N)NC=CC#N;FNUUVKKZNIVMNC-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280888;MM280888;CC#CC(=O)NC=CC=O;JMOIPDQEEBRETD-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280889;MM280889;CC#CC(=O)NC=CC#N;WVEPPZYDZUQUDL-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280890;MM280890;C=C(C#CC)N=CNC=N;GRKFZJQZAGZAOR-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280891;MM280891;C=C(C#CC)N=CNC=O;BLFXBIIEBMEQLY-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280892;MM280892;CC#CC(=N)N=CNC=O;QWPCYEQUBPONTP-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280893;MM280893;CC#CC(=O)NC=NC=N;NUZOJDHCRCFAPJ-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280894;MM280894;CC#CC(=O)N=CNC=O;MOUXLIDTMPQLFQ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280895;MM280895;C=C(C(C)=O)C(N)=O;LPSFJOYQZGJDFZ-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280896;MM280896;CCON=C(C)CCO;NDLULJBSBHTPQM-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280897;MM280897;CC(CCO)=NOC=O;NCGRCVZETOCLFM-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280898;MM280898;C=CC=NNC(=O)C#CC;GHBBOQQSFSIZOB-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280899;MM280899;CC#CC(=O)NN=CC=O;NVMBXYFREXGOSR-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280900;MM280900;CC#CC(=O)NN=CC#N;DOCCNAJCKBHSPJ-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280901;MM280901;C=CC=COC(=C)C#CC;QHGAKCWAPQJXLY-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280902;MM280902;C=C(C#CC)OC=CC=O;HHXCUTZSHDABQL-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280903;MM280903;C=C(C#CC)OC=CC#N;QWUIDYAQKTVDJO-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280904;MM280904;C=CC=COC(=O)C#CC;NZMXLWHGCLHIEF-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280905;MM280905;CC#CC(=O)OC=CC#N;CLURFSXDPRCXDL-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280906;MM280906;C=NN=COC(=C)C#CC;HIBSREUVZRIIEP-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280907;MM280907;C=CC=NOC(=O)C#CC;BMZNBVQRHUZOMB-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280908;MM280908;C#CC=CCC(=C)C#CC;GOGBMWFPSRPLHG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280909;MM280909;CCC(=N)N(C)C(N)=O;WFXHFMQMYRKNDA-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280910;MM280910;C#CC=NNC(=O)C#CC;VMYMJOWMICXCCG-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280911;MM280911;C#CC=COC(=O)C#CC;BYRWHFQMRUOWCZ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280912;MM280912;C#CC=NOC(=O)C#CC;HFZFNJRWEHHONU-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280913;MM280913;CCC#CCC(C)CCN;WHBNQNRROYDWAB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280914;MM280914;CNc1[nH]nc(C)c1C;SARKUXSGOQUHSM-UHFFFAOYSA-N;125.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280915;MM280915;CC(CC#CCO)CCO;FZIMOORDVCOJPD-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280916;MM280916;CC(CC#CCO)CCF;FAUCIBGJSDDFSL-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280917;MM280917;CCC#CCC(N)CCN;VYJCKWRENRCQNV-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280918;MM280918;NCCC(N)CC#CCF;RAKUZJJBWDUSLM-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280919;MM280919;CCCC(O)CC#CCN;UTHOCEDIYKSETN-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280920;MM280920;C=CC(=O)C=C(N)C(N)=O;OTHRMIVFDGDBNS-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280921;MM280921;NCC#CCC(O)CCN;YMRMMQWZTLWARN-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280922;MM280922;CCC#CCC(O)CCO;UCRREPHDPFYACP-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280923;MM280923;NCC#CCC(O)CCO;WFOXGZNSRBTVNY-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280924;MM280924;OCC#CCC(O)CCO;MFXKAGSVCDPVNB-UHFFFAOYSA-N;144.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280925;MM280925;NCC#CCC(O)CCF;VTQZQSZMLHUTFM-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280926;MM280926;CCC#CCC(F)CCC;WYVGGNKMPMKCFP-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280927;MM280927;CCCC(F)CC#CCN;KWEACRVMWVRMRF-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280928;MM280928;NCCC(F)CC#CCO;NJXNLBZOUHIPHU-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280929;MM280929;NCCC(F)CC#CCF;VANZIJSSTGEHMS-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280930;MM280930;FCC#CCC(F)CCF;OHBSVSPOFRRNJB-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280931;MM280931;CCC#CCC(C)CNC;HBVPPSFOTFLRRH-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280932;MM280932;CCC#CCC(N)CNC;MRJZAYXZVCKGDC-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280933;MM280933;CNCC(O)CC#CCN;DPTFJDJBHLASIG-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280934;MM280934;CNCC(O)CC#CCF;HCHBWDMWAWKCTA-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280935;MM280935;CCC#CCC(C)COC;IBSCTMRPDDXYND-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280936;MM280936;COCC(C)CC#CCN;MXYXIFZLWCSQDA-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280937;MM280937;COCC(N)CC#CCF;PHHGCUCHMWRZIE-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280938;MM280938;CCC#CCC(O)COC;OGGWOWGHNBMEQS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280939;MM280939;COCC(O)CC#CCN;YCCYFOWWEMIRLD-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280940;MM280940;COCC(O)CC#CCF;PMHKTRLHNZHTSL-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280941;MM280941;CCC#CCC(C)NCC;WUHWAFUVSPLGDJ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280942;MM280942;CCNC(C)CC#CCN;WOQGZEHUVMOXEX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280943;MM280943;CCC#CCN(C)CCC;ICZLDNXVISHWML-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280944;MM280944;CCCN(C)CC#CCN;SIYXNAPJIHLEBV-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280945;MM280945;CCCN(C)CC#CCO;ASRKAUMCIYZYPI-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280946;MM280946;CCCN(C)CC#CCF;ASFNGMFTJRAHKY-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280947;MM280947;CCC#CCN(C)CCN;SXTVXVDMLKFXMI-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280948;MM280948;CN(CC#CCN)CCO;ZDCUPARHFFSMKE-UHFFFAOYSA-N;142.2;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280949;MM280949;CCCC(C)CC#CC=O;ULQAYOJYEVEZPR-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280950;MM280950;CCCC(C)CC#CC#N;XXCWGCGPWQHZEC-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280951;MM280951;C=CC#CCC(C)CCN;JADNVBPTAURJRU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280952;MM280952;CC(CC#CC#N)CCF;AHERESJEXUPOKM-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280953;MM280953;CC(CCO)=NOC(C)C;ZQCNNPMLOQZLRZ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280954;MM280954;CC(=O)ON=C(C)CCO;SOKXTJBYZXEROV-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280955;MM280955;CCCC(O)CC#CC#N;JXVSTHDJEQSKET-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280956;MM280956;C=CC#CCC(O)CCO;SPSRAQLLRVALCX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280957;MM280957;O=CC#CCC(O)CCO;QPJQIEPSMRHGHN-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280958;MM280958;C=CC#CCC(F)CCC;HGOADWMEUQVZRO-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280959;MM280959;CCCC(F)CC#CC#N;IPVZLXVNYRKQBG-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280960;MM280960;C=CC#CCC(F)CCN;QHYZMWHUMLUNMG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280961;MM280961;C=CC#CCC(F)CCF;WBXBGDMDEZTVOC-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280962;MM280962;N#CC#CCC(F)CCF;RYAUOLLCVATXBF-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280963;MM280963;C=CC#CCC(F)CNC;MYXLQEPNPGNSFA-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280964;MM280964;COCC(C)CC#CC#N;KMUHVLSPVWIODL-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280965;MM280965;C=CC#CCC(O)COC;DETAGHPQVYCSOW-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280966;MM280966;COCC(O)CC#CC#N;AZKBDFIWDQTGLC-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280967;MM280967;C=CC#CCC(C)NCC;WMVSXBRBXVUUBX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280968;MM280968;CCNC(C)CC#CC#N;KGUIFEPVICCZBY-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280969;MM280969;CCOC(C)CC#CC#N;DKSXSIVYEVZZEL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280970;MM280970;C=CC#CCN(C)CCC;AGXCHCMSNZYFCU-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280971;MM280971;C=CC#CCN(C)CCN;PRHBFRALKCXQGY-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280972;MM280972;C#CC#CCC(C)CCC;TXBIKOBPONQMEU-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280973;MM280973;C#CC#CCC(C)CCN;DGDULUQNKHXODJ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280974;MM280974;COC(=N)N(N)CC(N)=O;KSDGUEZRTCHEAP-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280975;MM280975;C#CC#CCC(N)CCN;PRYZAYGQIRWVRU-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280976;MM280976;CC(C)NC(C#N)CC=O;QBUKUNUSTNOQGA-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280977;MM280977;C#CC#CCC(F)CCC;CGFRVNZLUOZZCH-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280978;MM280978;C#CC#CCC(F)CCN;LGETXHZUNAHAOZ-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280979;MM280979;C#CC#CCC(N)CNC;FABNRBQYCLXZIK-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280980;MM280980;C#CC#CCC(F)CNC;IOMVASRWYRTUBV-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280981;MM280981;C#CC#CCC(C)COC;WYDBBIVWLJSLTG-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280982;MM280982;C#CC#CCC(O)COC;NPSZJMHTNBNTSS-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280983;MM280983;C#CC#CCN(C)CCN;WVIRXSHAQRJJSG-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280984;MM280984;C=CCC(C)CC#CCC;OMGUMXZMTUCWDN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280985;MM280985;C=CCC(C)CC#CCN;JVETVVGYKYQAJF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280986;MM280986;CCC#CCC(C)CC=O;GZPAHHNZJJQFSC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280987;MM280987;CC(CC#CCO)CC=O;XATXLSGLPNYADY-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280988;MM280988;CC(CC#N)CC#CCO;VNAVZPOZPKLAPV-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280989;MM280989;CC(CC#N)CC#CCF;YWXUGOVWKBCWIX-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280990;MM280990;C=CCC(N)CC#CCF;OSNZHPLCEQEWJS-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280991;MM280991;CCC#CCC(O)CC#N;PZBILQUMWVHMIW-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280992;MM280992;O=CCC(O)CC#CCO;JKHMVSLUWHQDLC-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280993;MM280993;N#CCC(O)CC#CCO;LJCCCTHPXYFDGQ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280994;MM280994;C=CCC(F)CC#CCN;MYEXHJFPYWOEQY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280995;MM280995;C=CCC(F)CC#CCO;HUVHWBDPJYENKX-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280996;MM280996;C=CCC(F)CC#CCF;ABDLPUPXACSQCH-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280997;MM280997;CCC#CCC(F)CC#N;NQPSCMAGJMHYDX-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280998;MM280998;N#CCC(F)CC#CCF;NKXMMAWQPOSFAD-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM280999;MM280999;CC(CC#CCN)NC=N;WSPHXINEDVXJPO-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281000;MM281000;CC(CC#CCO)NC=N;VKQWGWXYLQXQAS-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281001;MM281001;CC=NNCC(F)CC=O;ZOJNOQHJVZXOMB-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281002;MM281002;C=NNC(C)CC#CCC;CDTHWKBWAKHVFF-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281003;MM281003;C=NNC(C)CC#CCF;DBWUIUIVZOZSRC-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281004;MM281004;CCC#CCC(C)OC=O;JKUNNZIURHRXPN-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281005;MM281005;CC(CC#CCO)OC=O;JZVISXNVVMZDPQ-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281006;MM281006;CC(CC#CCF)OC=O;VXYIACOIGJYXTG-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281007;MM281007;C=NOC(C)CC#CCN;LUSWQXYTGMKTDW-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281008;MM281008;COCCNC(=O)C=CN;PXKLMLIDAFFTIW-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281009;MM281009;CC(CC=CCO)NC=O;HQJLRNOUUAEBKZ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281010;MM281010;CN(CC#N)CC#CCF;GPVZZPPGHMECKY-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281011;MM281011;CN(CC#CCN)NC=N;PRZUNNUTSCPRPO-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281012;MM281012;CN(CC#CCF)NC=N;MWPSADOYCXSIJU-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281013;MM281013;CCC#CCN(C)NC=O;SDLSXMDHDUDKHA-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281014;MM281014;CN(CC#CCN)NC=O;NBZVOAFYPUIUSG-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281015;MM281015;C=CC#CCC(C)CC=C;VCTOPXAMMQCHBN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281016;MM281016;C=CCC(C)CC#CC=O;CKXZDXFFDQJMQL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281017;MM281017;C=CCC(C)CC#CC#N;UNTJIEFLOSRIKH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281018;MM281018;C=CC#CCC(C)CC=O;ILCAZOLPXCWETJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281019;MM281019;C=CC#CCC(C)CC#N;UFRZRLNALOZIPA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281020;MM281020;CC(CC#CC#N)CC=O;UCMKFKPAHPQZJN-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281021;MM281021;C=CC#CCC(N)CC=C;AQHCJPHAOBYVBO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281022;MM281022;C=CCC(O)CC#CC#N;FOTBKUUSDIFYHY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281023;MM281023;C=CC#CCC(O)CC=O;HCFDBHGKBCQTEN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281024;MM281024;C=CC#CCC(O)CC#N;FGZHYAPGFFAJGV-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281025;MM281025;N#CC#CCC(O)CC=O;NVMKJOVOUYKJIZ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281026;MM281026;C=CC#CCC(F)CC=C;DDHASIKHTPKWGM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281027;MM281027;C=CCC(F)CC#CC=O;SBPPOPQAOOYRJK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281028;MM281028;C=CCC(F)CC#CC#N;YZUWILUXCULXFG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281029;MM281029;N#CC#CCC(F)CC#N;WKCPRFOJRYDTNQ-UHFFFAOYSA-N;136.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281030;MM281030;C=CC#CCC(C)NC=N;XEWTZIMOQZPHRQ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281031;MM281031;CC(CC#CC#N)NC=N;RIOXQQXDZRMKGH-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281032;MM281032;COCON=C(C)CCO;GLYNZGGALQRXQG-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281033;MM281033;CC(CC#CC#N)NC=O;FYTHTAPIEVOTBN-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281034;MM281034;C=CC#CCC(C)NN=C;GAXLOHRCFZUJNR-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281035;MM281035;C=NNC(C)CC#CC#N;GHANBNYERSFQMT-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281036;MM281036;C=CC#CCC(C)OC=C;XQUBPGGLQHBBEO-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281037;MM281037;C=COC(C)CC#CC=O;BRHWPJOYQOSIQR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281038;MM281038;C=COC(C)CC#CC#N;SHAHYFMXZBHNQC-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281039;MM281039;C=CC#CCC(C)OC=O;DGNDUZUHSAZEFC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281040;MM281040;CC(CC#CC#N)OC=O;GVJJYNVPHJHYTC-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281041;MM281041;CC(CCO)=NOC=NN;SEZYZGZJNXMCFY-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281042;MM281042;C=C(CCF)C(=O)NCC;KUPWBTKFMZUWAD-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281043;MM281043;CC(=O)C(=N)N(C)CC=O;IIJZQGROHLFPON-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281044;MM281044;C=CCN(C)CC#CC#N;DACRZOPJMKICLO-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281045;MM281045;CC(=O)C1(C)CC1NC=O;YULWAKDZTSRAJL-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281046;MM281046;CN(CC#N)CC#CC=O;IRSNEGNJFFXXQG-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281047;MM281047;CN(CC#CC#N)NC=N;NGQPUIHKTZOORK-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281048;MM281048;CN(CC#CC=O)NC=O;SIACOUCNLPSAAR-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281049;MM281049;C#CC#CCC(C)CC=C;NNUUHNBWFFFETD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281050;MM281050;C#CC#CCC(N)CC=C;HMRJLUAWEHGUSU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281051;MM281051;CNN=C(CCO)COC;CJFOTNGFDKSIAM-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281052;MM281052;C#CC#CCC(O)CC#N;ZFLRYFLYRFKHNO-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281053;MM281053;C#CC#CCC(F)CC=C;AFRSTYHCRZONFE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281054;MM281054;C#CC#CCC(C)NC=N;PZPJHPGBCGTMRF-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281055;MM281055;C#CC#CCC(C)NC=O;WPQYXWAQKVIZIO-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281056;MM281056;C#CC#CCC(C)NN=C;YXKTZGVAVWWYLX-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281057;MM281057;C#CC#CCC(C)OC=O;XQXRMDQJBBVICK-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281058;MM281058;COCC(CCO)=NOC;JNSZJGASKCZSIQ-UHFFFAOYSA-N;147.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281059;MM281059;C=NOC(CCO)C(F)F;KFOCNYCRDDENNO-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281060;MM281060;C#CC#CCN(C)NC=O;NALXYGPNSCBMEC-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281061;MM281061;C#CCC(C)CC#CCC;OAHDCXRYTLGHHA-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281062;MM281062;C#CCC(C)CC#CCO;GIKJBQWHDFVRBO-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281063;MM281063;C#CCC(N)CC#CCC;DAHBDPBGBVQWQZ-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281064;MM281064;C#CCC(N)CC#CCF;YJAIQJHTXVJGFF-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281065;MM281065;CNC(=O)CCN(N)C=O;UEDCBOBPTVOWEJ-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281066;MM281066;C#CCC(F)CC#CCN;OPRXJRZBENHVNU-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281067;MM281067;C#CCC(F)CC#CCO;RTKGBVRTANZKJK-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281068;MM281068;C#CCC(C)CC#CC=C;GGRIYQZMAMPLSZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281069;MM281069;C#CCC(C)CC#CC#N;PWXOFKUZEBYSPN-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281070;MM281070;C#CCC(O)CC#CC#N;MLZZHMQZDZKNDO-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281071;MM281071;C#CCC(F)CC#CC=C;YLDSZJPNRUNQBV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281072;MM281072;C#CC#CCC(N)CC#C;IBNNXJCKWUQOBE-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281073;MM281073;C#CC#CCC(O)CC#C;NLUWSPZHAUACSP-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281074;MM281074;C#CC#CCC(F)CC#C;QUMIOYNXOWBFPW-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281075;MM281075;C=C(CC#CCN)CCC;OSNWZOSJFXDDMU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281076;MM281076;C=C(CC#CCO)CCC;CRIJDSBPGHMOQN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281077;MM281077;C=C(CC#CCF)CCC;RAHPGVKOGBRIKT-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281078;MM281078;C=C(CC#CCC)CCN;BTPXPVOSBNSVNP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281079;MM281079;CCC(=O)NCC(C)=NN;GZOXIOLQUKUABC-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281080;MM281080;CCCC(=O)CC#CCO;AWHPROVYBFRIGX-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281081;MM281081;CCC#CCC(=O)CCO;ZPKKCVKLZKAWEU-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281082;MM281082;O=C(CC#CCF)CCF;ZNUYCMJBFYBPFJ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281083;MM281083;C=C(CC#CCN)CNC;BEVIKENNGOMXFL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281084;MM281084;C=C(CC#CCF)CNC;GNGSILUXGSHNEU-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281085;MM281085;CCC#CCC(=N)NCC;MYNQWJJHAVVJLB-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281086;MM281086;CCNC(=N)CC#CCN;IJPWKIHYBZDKLB-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281087;MM281087;CCC#CCC(=O)NCC;BYAMMLYNLRIQHT-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281088;MM281088;CCNC(=O)CC#CCF;OBWOBSOZTPXNFZ-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281089;MM281089;CCC#CCC(=N)NNC;LXRYHGXPOSKQAG-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281090;MM281090;CNNC(=N)CC#CCN;HDJVUILYZCMGOE-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281091;MM281091;CNNC(=N)CC#CCF;VTKAGUIOAMMPPE-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281092;MM281092;C#CC=CC(=O)NCCC;NVMOVMRMLAPOGO-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281093;MM281093;CNNC(=O)CC#CCN;XAIHJGRJUVCSQS-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281094;MM281094;C=C(CC#CCC)OCC;PQMUZIDDXBIJKH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281095;MM281095;C=C(CC#CCN)OCC;VGWSKWYMNPYHNK-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281096;MM281096;CCC#CCC(=O)OCC;PIFDWZBDKFPUDT-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281097;MM281097;C=CC#CCC(=C)CCC;KPWSYJBCVUKPTQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281098;MM281098;C=C(CC#CC=O)CCC;MDYFKELTUYQOFT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281099;MM281099;C=C(CC#CC#N)CCC;DFYYPUNUBJHDML-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281100;MM281100;C=CC#CCC(=C)CCN;ZHKDZMBMNIQTOK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281101;MM281101;COC(=O)C(C)CNC=O;JDNFEMIHDUBWCM-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281102;MM281102;N#CC(CC=O)NCC=O;CIYNSMDQUOCTMT-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281103;MM281103;C#CCNC(C#N)CC=O;WFECKTVPYRQMNJ-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281104;MM281104;C=C(CC#CC#N)CCF;KTTWQPRALPGYIQ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281105;MM281105;C=CC#CCC(=O)CCC;OPSZIDQJDBEQBL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281106;MM281106;CCCC(=O)CC#CC=O;ZWQDCWXTDZVCBA-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281107;MM281107;CCCC(=O)CC#CC#N;NDHVVVPLEAYDOG-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281108;MM281108;N#CC#CCC(=O)CCO;ZEDWKNQVMWMQHL-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281109;MM281109;C=CC#CCC(=O)CCF;USJSBTZUCDJDNP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281110;MM281110;O=CC#CCC(=O)CCF;FRZAAHRBWAIIEG-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281111;MM281111;C=CC#CCC(=C)CNC;LTMWEFMLLHCYBT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281112;MM281112;C=C(CC#CC=O)CNC;WMKRMHLBGFAXIJ-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281113;MM281113;C=C(CC#CC#N)COC;DGILVWFILVUEEZ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281114;MM281114;COCC(=O)CC#CC=O;JNPGISQZAUYXJZ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281115;MM281115;C=CC#CCC(=N)NCC;RMDXWWMWTQDRQS-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281116;MM281116;CCNC(=O)CC#CC=O;KEADNZLHCFHBAC-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281117;MM281117;CNNC(=N)CC#CC#N;IUBIKPHJYBLZHN-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281118;MM281118;C=CN(C=NC=O)CC=O;HBJITAUSZFYTOK-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281119;MM281119;C=CC#CCC(=O)OCC;FAZDEASAYIFSAA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281120;MM281120;CCOC(=O)CC#CC#N;KOCJVJPKAIUEAN-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281121;MM281121;C#CC#CCC(=C)CCC;YYHAKPSQWBRSPJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281122;MM281122;C#CC#CCC(=C)CCF;YPSMGPDRNICVPP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281123;MM281123;C#CC#CCC(=O)CCC;BWFDKMGBJYQXAG-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281124;MM281124;C#CC#CCC(=O)CCF;LJSASIGDQLEMRG-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281125;MM281125;C#CC#CCC(=O)CNC;NTLZSJICERYGFY-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281126;MM281126;C#CC#CCC(=N)NCC;SEQGXLZBLRTVHO-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281127;MM281127;C#CC#CCC(=O)NCC;SPTUWVUVDWCDJG-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281128;MM281128;C#CC#CCC(=C)OCC;OOGWZISIVCMKKQ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281129;MM281129;C#CC#CCC(=O)OCC;PJVUAGBWBWHRFQ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281130;MM281130;C=CCC(=C)CC#CCC;XSHAGEYEXXAORN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281131;MM281131;C=CCC(=C)CC#CCN;WQBQWDGIAFKLRB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281132;MM281132;C=CCC(=C)CC#CCO;OMBOOHUEAIERKF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281133;MM281133;C=CCC(=C)CC#CCF;ACPUAOIOGRPDMF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281134;MM281134;C=C(CC#CCC)CC=O;JDYGRPYBJPPRBV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281135;MM281135;C=C(CC#N)CC#CCC;KHPUYXZIAFJCDM-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281136;MM281136;C=C(CC#CCO)CC=O;KZYSIWIYLNQQOZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281137;MM281137;C=C(CC#CCF)CC=O;PAJDIYLASLZXDO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281138;MM281138;C=CCC(=O)CC#CCC;ZYGHTQCCOQBXMS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281139;MM281139;C=CCC(=O)CC#CCO;KFMNGMRKQUANPK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281140;MM281140;C=CCC(=O)CC#CCF;SFYPTLVWPOBYIZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281141;MM281141;N#CCC(=O)CC#CCO;MINYPRCDGOYHQY-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281142;MM281142;N#CCC(=O)CC#CCF;LRMGYRSDWUDWNX-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281143;MM281143;C=C(CC#CCC)NC=N;IKLPCHFTKHLQDH-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281144;MM281144;C=C(CC#CCO)NC=N;GBGJAGBPUMVZGJ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281145;MM281145;C=C(CC#CCC)NC=O;WAOUXEQDUGFMSL-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281146;MM281146;C=C(CC#CCO)NC=O;JCINOHZDLOTODM-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281147;MM281147;C=CNC(=N)CC#CCC;HOVLRQQBSGKGNR-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281148;MM281148;C=CNC(=N)CC#CCN;DVSOOMBQFMIPRP-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281149;MM281149;C=CNC(=N)CC#CCO;SESVMJNFUDPFAN-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281150;MM281150;CCC#CCC(=N)NC=N;ILIIFALWWRYKPX-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281151;MM281151;N=CNC(=N)CC#CCN;GSDOUHAICBNEIQ-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281152;MM281152;N=CNC(=N)CC#CCO;KBAAFTXAJNWSNI-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281153;MM281153;C#CC#Cc1ccc(N)[nH]1;UHODQPWXWVOUHS-UHFFFAOYSA-N;130.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281154;MM281154;N=C(CC#CCN)NC=O;SBDRMCHOMXUOFN-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281155;MM281155;C#CC(C#N)N(C=N)C=O;WITZYLRVSDANBX-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281156;MM281156;C=CNC(=O)CC#CCC;QJEZLUSVOFGXLL-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281157;MM281157;C=CNC(=O)CC#CCN;MFSWVRPARIOIGK-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281158;MM281158;CN=C(C=O)N(C)CC=O;XZWUNNANRWMFIX-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281159;MM281159;N=CNC(=O)CC#CCN;PKHNZGFQEYYENS-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281160;MM281160;CCC1(C=O)CC1NC=O;VHMNPLVZZLOFNA-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281161;MM281161;CCC#CCC(=O)NC=O;HKNJLLOVNOHZAD-UHFFFAOYSA-N;139.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281162;MM281162;NCC#CCC(=O)NC=O;KKJKCZCPTNDEGU-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281163;MM281163;O=CNC(=O)CC#CCO;RZWWIBUUGHRCEV-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281164;MM281164;O=c1cc(C2CN2)onn1;KYAFQIYDTSUVRU-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281165;MM281165;C=NNC(=O)CC#CCC;UCLFDZWEQPWQSC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281166;MM281166;C=COC(=C)CC#CCC;JBCSPJBDQFTAKX-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281167;MM281167;C=COC(=C)CC#CCO;YCYQUCMKIOEVNG-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281168;MM281168;C=COC(=C)CC#CCF;XAPCXMVEPXIVPK-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281169;MM281169;C=COC(=O)CC#CCC;WRMWESHTTGAQKV-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281170;MM281170;C=COC(=O)CC#CCF;XFLUKURPUBJNTG-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281171;MM281171;C=NOC(=O)CC#CCF;WPJLLSHKIIYMCJ-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281172;MM281172;C=CC#CCC(=C)CC=C;ZWDKEDVYKUPJHO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281173;MM281173;C=CCC(=C)CC#CC=O;WFNSFUOXOCYUNC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281174;MM281174;C=CCC(=C)CC#CC#N;VMIJOICRYVUMBU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281175;MM281175;C=CC#CCC(=C)CC=O;DWEKVFMZMKWODB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281176;MM281176;C=C(CC#CC#N)CC=O;DLIXPPGFBJMLNZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281177;MM281177;C=C(CC#N)CC#CC#N;XZUNGXSJBYUOLX-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281178;MM281178;C=CC#CCC(=O)CC=C;FLCZRNKLXGBNKW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281179;MM281179;C=CCC(=O)CC#CC#N;VFEHVNCUWSIVAA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281180;MM281180;C=CC#CCC(=O)CC#N;LLUWHWUGWBDIBP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281181;MM281181;C=CC#CCC(=C)NC=N;QAMRVFFRSSUDLM-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281182;MM281182;C=CC#CCC(=C)NC=O;URBOIOUGCDOZTI-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281183;MM281183;C=C(CC#CC#N)NC=O;JGNPCNBKOZSKFS-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281184;MM281184;N=CNC(=N)CC#CC=O;RUILVAKRGVHJPB-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281185;MM281185;N=C(CC#CC=O)NC=O;PLRTVIAOXHULDB-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281186;MM281186;N#CC#CCC(=N)NC=O;BLMFPJZQDLXSJW-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281187;MM281187;C=CC#CCC(=O)NC=C;BFLWKAIUANKPLU-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281188;MM281188;C=NN=CCCO;ZGUMECYJSKZVAJ-UHFFFAOYSA-N;100.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281189;MM281189;NNc1cc[nH]n1;ZOHGOQJROHLKIB-UHFFFAOYSA-N;98.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281190;MM281190;O=CC#CCC(=O)NC=O;NUIPCNJKLLPAAY-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281191;MM281191;C=C(F)C=CC(N)=O;OZHGKSQKTJNQRR-UHFFFAOYSA-N;115.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281192;MM281192;C=CC#CCC(=O)NN=C;JDNBSRZMAICBDI-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281193;MM281193;C=CC#CCC(=C)OC=C;SOYZJCVMOCKISC-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281194;MM281194;C=COC(=C)CC#CC=O;QDHQWIQWHLLXIW-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281195;MM281195;C=COC(=C)CC#CC#N;MIDJNTKAVBUJAW-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281196;MM281196;C=CC#CCC(=C)OC=O;SFZBWJYTUJUMGQ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281197;MM281197;C=C(CC#CC#N)OC=O;IZSQHRUXOYFXOC-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281198;MM281198;C=CC#CCC(=O)OC=C;VIDIYYBDRQYWBO-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281199;MM281199;C=COC(=O)CC#CC=O;JDTPFLTXARPTFZ-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281200;MM281200;C=COC(=O)CC#CC#N;AFCITKQZJRDRGT-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281201;MM281201;C=CC#CCC(=O)ON=C;CZWATFTYMJKCEE-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281202;MM281202;C=NOC(=O)CC#CC=O;XQWFTWIINVILAU-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281203;MM281203;C#CC#CCC(=C)CC=C;BLGVVYMLHOABGP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281204;MM281204;C#CC#CCC(=C)CC=O;KVJOCRXWRMXFJY-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281205;MM281205;C#CC#CCC(=C)CC#N;OUHTZZZENBDRFW-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281206;MM281206;C#CC#CCC(=O)CC=C;IDOHZKQPTSOODK-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281207;MM281207;C#CC#CCC(=O)CC#N;BUHIGJLRUQOIFV-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281208;MM281208;C#CC#CCC(=C)NC=N;SJKJFZWAJWEIKT-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281209;MM281209;C#CC#CCC(=C)NC=O;IYKLOMGTGRCVKJ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281210;MM281210;C#CC#CCC(=N)NC=N;WBPSZXDMGPUHHL-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281211;MM281211;C#CC#CCC(=O)NC=C;KMIAJYWQXNOVNZ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281212;MM281212;C#CC#CCC(=O)NC=O;AFWBAZMWFJOKQB-UHFFFAOYSA-N;135.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281213;MM281213;C#CC#CCC(=C)OC=C;DIRNTCVNZKBRSK-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281214;MM281214;C#CC#CCC(=C)OC=O;NPHVOCKJBKFBJC-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281215;MM281215;C#CC#CCC(=O)ON=C;LDIWMRAFFQCYGV-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281216;MM281216;C#CCC(=C)CC#CCC;XPEXXTFHCJWSQZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281217;MM281217;C#CCC(=C)CC#CCN;NOWFPEFOCAHGTO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281218;MM281218;C#CCC(=C)CC#CCO;KOEPRRBNFSNJFI-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281219;MM281219;C#CCC(=C)CC#CCF;ANKGQKLYURSSHQ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281220;MM281220;C#CCC(=O)CC#CCF;LOMAAFFHFZZQSS-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281221;MM281221;C#CCC(=C)CC#CC=C;SQYGLKBLPIRBGZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281222;MM281222;C#CCC(=C)CC#CC=O;IFQPOYWCSCNGLL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281223;MM281223;C#CCC(=C)CC#CC#N;CSQJHSFYRZGTMD-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281224;MM281224;C#CCC(=O)CC#CC=C;VNXGVIDZTFHBDV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281225;MM281225;C#CCC(=O)CC#CC#N;NXDULHYCVNMPCF-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281226;MM281226;C#CC#CCC(=C)CC#C;BSRAIGUNLVAPDX-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281227;MM281227;C#CC#CCC(=O)CC#C;QOOUDDBJNJRDRS-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281228;MM281228;CC=CC(C)CC#CCN;JLHCUOFAYBDIOD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281229;MM281229;CC=CC(C)CC#CCO;IOTGKUQREQHOKA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281230;MM281230;CC=CC(C)CC#CCF;JQYDABHCEHNCDH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281231;MM281231;CCC#CCC(C)C=CF;CCIWFNUDXIOMQJ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281232;MM281232;CC(C=CF)CC#CCN;WYGNGEQUXUAEMP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281233;MM281233;CC(C=CF)CC#CCO;HPBQNILZJPOVGI-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281234;MM281234;CC=CC(N)CC#CCC;XKVWPFGJKMWILM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281235;MM281235;CC=CC(N)CC#CCN;INGNHZRELGJCSC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281236;MM281236;CC=CC(N)CC#CCO;HRMCYYVGANBSMS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281237;MM281237;CC(C=NN)NC=O;MWLIMEYXCGJXPK-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281238;MM281238;CC=CC(O)CC#CCN;XOEBBBZKVQYCGI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281239;MM281239;CNN=C(C)CCO;UZONEFLMAHJGEH-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281240;MM281240;CC=CC(F)CC#CCC;HVCVJMQIOJWYNK-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281241;MM281241;CC=CC(F)CC#CCO;LILDDJSJJXQMCG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281242;MM281242;CC=CC(F)CC#CCF;DHHFQDQIRSGLEV-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281243;MM281243;OCC#CCC(F)C=CF;IHZPRXSOQMHQSG-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281244;MM281244;C=CCN(N)C(N)=O;DMGODMMFNLXENB-UHFFFAOYSA-N;115.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281245;MM281245;CCC#CCC(C)C=NO;MFHXNVYDZUTICD-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281246;MM281246;CC(C=NO)CC#CCN;UQASZXOWWDUUOD-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281247;MM281247;CC(C=NO)CC#CCO;ROZDTHKZDVKTKV-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281248;MM281248;CC(C=NO)CC#CCF;XNOSNLKYBDTKDW-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281249;MM281249;CC1(CNC=O)CO1;BEAFVOHZHYZQKF-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281250;MM281250;CCC#CCN(C)C=NC;UZUNEBZXMKJZEN-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281251;MM281251;CN=CN(C)CC#CCO;TYGKWWUIQZZHHT-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281252;MM281252;CCC(CCO)=NN;IZMDSMPBGHRMFS-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281253;MM281253;CNc1cc(N)no1;FOTPXTONCTVYDD-UHFFFAOYSA-N;113.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281254;MM281254;O=CON=CCCO;AXDJZYFZUSIGOL-UHFFFAOYSA-N;117.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281255;MM281255;OCCC(F)C1CN1;QVIDNKSVKYLJTL-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281256;MM281256;O=C1CN2CC2C1=O;IPAMHNWUFJAQTH-UHFFFAOYSA-N;111.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281257;MM281257;CNC(C)(C#N)CCO;JBMODCQMWJZZOV-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281258;MM281258;CN=CN(O)CC#CCN;SCDUXNZDSVHTPB-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281259;MM281259;CC1(F)CC1CNC=O;AJEDRJBURORFIP-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281260;MM281260;CCN=CN(C)C(N)=O;YUFOBARCCNVTPR-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281261;MM281261;CCC#CCN(O)C=NO;FRNQHDYIAJMIFT-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281262;MM281262;OCC#CCN(O)C=NO;CGVITWNJQAAEOI-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281263;MM281263;CC=NN(C)CC#CCC;ZICUEKNOUGZHBQ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281264;MM281264;CC=NN(C)CC#CCF;DWJIXTKNJLYXKA-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281265;MM281265;CC=CC(C)CC#CC=O;XWBGYFFSXSIUAA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281266;MM281266;CC=CC(C)CC#CC#N;JOKNIQUKSVNXCM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281267;MM281267;CC(C=CF)CC#CC#N;WVGIKRDDXYTUJT-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281268;MM281268;C=CC#CCC(N)C=CC;OHGJLNXEJJMKHW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281269;MM281269;C=NN1CC1(C)C(N)=O;LUAYCIBWTVVTHQ-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281270;MM281270;CC=CC(O)CC#CC=O;ILEZJNXXDNQQNB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281271;MM281271;CC=CC(O)CC#CC#N;ZFSHOYSWCIPRMO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281272;MM281272;N#CC#CCC(O)C=CF;FUSXVWHHWRSXRU-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281273;MM281273;CC=CC(F)CC#CC=O;BGEXKKPTQXGZKI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281274;MM281274;CC=CC(F)CC#CC#N;SSCITIPHFYYYMG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281275;MM281275;N#CC#CCC(F)C=CF;GMSLYTYMLUJBBB-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281276;MM281276;C=CC#CCC(C)C=NN;XLZFTYVPTGNSGC-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281277;MM281277;C=CC#CCC(C)C=NO;BAQXIOWEXVTFRJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281278;MM281278;CC(C=NO)CC#CC=O;UFRCTWZCCQLHDH-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281279;MM281279;CC(C=NO)CC#CC#N;LUWBUSCPGSRJSX-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281280;MM281280;C=C(CCO)N(N)C=O;FLCPXZKSNRVISI-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281281;MM281281;NN=CC=C(CF)C(=O)O;KTJMILXTIHGWKR-UHFFFAOYSA-N;146.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281282;MM281282;CCC(CCO)=NNC;BESHTOIPEDQWGK-UHFFFAOYSA-N;130.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281283;MM281283;C#Cc1[nH]nc(N)c1C;FPVQWOQEJBQCHW-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281284;MM281284;O=CNCC1(CF)CC1;KUAIPNHRNSIEDK-UHFFFAOYSA-N;131.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281285;MM281285;N=Cn1ncc(NN)n1;SMANWTQUNXKVLK-UHFFFAOYSA-N;126.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281286;MM281286;O=CC#CCN(O)C=NO;WCOZESLZCOQJFK-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281287;MM281287;C=CC#CCN(C)N=CC;YNXDYRBYXWNBMV-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281288;MM281288;CC=NN(C)CC#CC=O;ZOWRNOHZOSCXQQ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281289;MM281289;C#CC#CCC(C)C=CC;SEJAEMQDNZSXAE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281290;MM281290;C#CC#CCC(C)C=CF;OMFDWSCHIAAOOS-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281291;MM281291;C#CC#CCC(N)C=CC;SDSPUJNLNCPWGJ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281292;MM281292;C#CC#CCC(N)C=CF;WAHSCWGRVSETJE-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281293;MM281293;C#CC#CCC(O)C=CC;PLXWRKHFEKXXKU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281294;MM281294;C#CC#CCC(F)C=CC;XSJVMLLJGMVDSL-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281295;MM281295;CCc1cc(NN)n[nH]1;ZJTPBTORTLCRLH-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281296;MM281296;CC1C(F)C1CNC=O;RQHDGSVINBMBPW-UHFFFAOYSA-N;131.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281297;MM281297;O=CNCCC=CCO;PEBRLVQXHWSUBQ-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281298;MM281298;COCON=CCCO;UPEMQQCBSSOYCX-UHFFFAOYSA-N;133.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281299;MM281299;C#CC#CCN(O)C=NO;WZGMFVFUZIDYEL-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281300;MM281300;C#CC#CCN(C)N=CC;AVDIOXOQELGJJY-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281301;MM281301;C=C(C=CC)CC#CCC;PLYGROWEIWUGGA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281302;MM281302;C=C(C=CC)CC#CCN;KGMUUINHXIOWJY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281303;MM281303;C=C(C=CC)CC#CCO;WDDXTGRUQSAHJI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281304;MM281304;C=C(C=CF)CC#CCC;URFCMPHRIYMEEF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281305;MM281305;C=C(C=CF)CC#CCN;INRWCVJZYKBLGQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281306;MM281306;CC=CC(=O)CC#CCC;FFOAMLIPJVULRM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281307;MM281307;CC=CC(=O)CC#CCF;OLOGDWQQVUJZRS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281308;MM281308;CCC#CCC(=O)C=CN;PJVIVPXRBSELKW-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281309;MM281309;O=C(C=CF)CC#CCF;VQNAOLZMEMKABM-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281310;MM281310;C=C(C=NN)CC#CCC;MUDKRBVICXBDIP-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281311;MM281311;C=C(C=NO)CC#CCO;DSWXOPMLCGCIDI-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281312;MM281312;C=CC#CCC(=C)C=CC;UFYMAXCKRGSZOQ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281313;MM281313;C=C(C=CC)CC#CC=O;JMLVPRHVBZUGLD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281314;MM281314;C=C(C=CC)CC#CC#N;ICSXGURTYINXRK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281315;MM281315;C=C(C=CF)CC#CC#N;JYFFNDAHDAWBCB-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281316;MM281316;C=CC#CCC(=O)C=CC;LBDKMXKPCKNVGN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281317;MM281317;CC=CC(=O)CC#CC#N;WHGGGNFTVWAGIP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281318;MM281318;C=C(C=NO)CC#CC#N;PYROLCNZBZHIKO-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281319;MM281319;C#CC#CCC(=C)C=CC;GQHVPADVTHJXGU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281320;MM281320;C#CC#CCC(=C)C=CF;HKZZXVARJQUUHH-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281321;MM281321;C#CC#CCC(=O)C=CC;GCZHEUONCBACDZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281322;MM281322;C#CC#CCC(=C)C=NN;MOORZZNNGDBZSN-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281323;MM281323;CC#CC(C)CC#CCC;AESPLUIMVKBUMP-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281324;MM281324;CC#CC(C)CC#CCN;YZLSVSMJEIIUIA-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281325;MM281325;CC#CC(C)CC#CCO;FDQMUJKEMYPKSX-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281326;MM281326;CC#CC(C)CC#CCF;FYWSDDUJUCKSRG-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281327;MM281327;CC#CC(N)CC#CCC;YSONFEHBYHHEEA-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281328;MM281328;CC#CC(N)CC#CCN;VBXSEIVDTALTCP-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281329;MM281329;CC#CC(N)CC#CCF;QDJZEEPKHROZAW-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281330;MM281330;CC#CC(O)CC#CCC;TUWANCIZHZZKMK-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281331;MM281331;CC#CC(O)CC#CCN;GIQXWHLXUSKUKZ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281332;MM281332;CC#CC(O)CC#CCF;HTPNUXLGGRZJJP-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281333;MM281333;CC#CC(F)CC#CCC;VTDWUNIZHJXBME-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281334;MM281334;CC#CC(F)CC#CCN;YXUKBCSPMCVALQ-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281335;MM281335;CC#CC(F)CC#CCO;BNZOKXVJBKINCT-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281336;MM281336;C=CC#CCC(C)C#CC;FECMOVBWZYANNR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281337;MM281337;CC#CC(C)CC#CC=O;LQZYTGJUCMUAOB-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281338;MM281338;CC#CC(C)CC#CC#N;FSZATCAYLKWSOT-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281339;MM281339;C=CC#CCC(N)C#CC;PNEFSKLLCBOBQC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281340;MM281340;C=CC#CCC(O)C#CC;YDMXKXLGJVDGRJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281341;MM281341;CC#CC(O)CC#CC#N;DDBZDFNBGCKCGL-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281342;MM281342;C=CC#CCC(F)C#CC;OVTBVBONMADCSD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281343;MM281343;CC#CC(F)CC#CC=O;FZYMFGWVEWILCY-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281344;MM281344;CC#CC(F)CC#CC#N;JHBBDOSMQXPNJW-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281345;MM281345;C#CC#CCC(C)C#CC;ILICSSGLTURMEO-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281346;MM281346;C#CC#CCC(N)C#CC;MIYOILWFYDAKBG-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281347;MM281347;C#CC#CCC(O)C#CC;VMFWTKMQQNQGEM-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281348;MM281348;C#CC#CCC(F)C#CC;QMNQAOXEYXNRHY-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281349;MM281349;C=C(C#CC)CC#CCC;PPZPTLCADRDRAK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281350;MM281350;C=C(C#CC)CC#CCN;MYCLJSVSXPOFKV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281351;MM281351;C=C(C#CC)CC#CCO;QAUPTRXAZZSJSH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281352;MM281352;C=C(C#CC)CC#CCF;ZOUSDXONGGXGDR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281353;MM281353;CC#CC(=O)CC#CCC;SCBBHEIYLATHGC-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281354;MM281354;CC#CC(=O)CC#CCF;QPZKPFIIBZPQDD-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281355;MM281355;C=CC#CCC(=C)C#CC;MRHGDFXCZPIECH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281356;MM281356;C=C(C#CC)CC#CC=O;JRHWSGLFPAPDQX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281357;MM281357;C=C(C#CC)CC#CC#N;XKCWGGXATKTTKU-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281358;MM281358;C=CC#CCC(=O)C#CC;DAFIFOJYIRBHOA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281359;MM281359;CC#CC(=O)CC#CC=O;RHVPZBHWEROSQT-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281360;MM281360;CC#CC(=O)CC#CC#N;YVPXMKCIHOAJFE-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281361;MM281361;C#CC#CCC(=C)C#CC;QUJHADSCZBTJDP-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281362;MM281362;C#CC#CCC(=O)C#CC;GNFKRBRHXHHZLX-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281363;MM281363;CCCC=CC(C)CCC;UXSCCYYAFYJZQN-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281364;MM281364;CCCC(C)C=CCCN;MVWFOYPMQSLYBD-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281365;MM281365;CCCC(C)C=CCCO;WECLVSFINUZPIX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281366;MM281366;CCCC=CC(C)CCN;SQAYTYJGUGSQDR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281367;MM281367;CC(C=CCCN)CCN;FSRHPSSOWKJFOK-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281368;MM281368;CC(C=CCCO)CCN;WXBMVIRFDWEZNM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281369;MM281369;CC(C=CCCF)CCN;MGFVDLAQGKMOLW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281370;MM281370;CC(C=CCCN)CCO;VSUYTNCVOOREQQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281371;MM281371;CC(C=CCCN)CCF;NWPBWVHTKUICND-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281372;MM281372;NCCC(N)C=CCCF;KYYJJVNQISKINE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281373;MM281373;CCCC=CC(N)CCF;LJFVOSMAJAWPDT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281374;MM281374;NC(C=CCCF)CCF;ZLVGGHKBCLXYKD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281375;MM281375;C=CCON=CCCO;DHWVNXMNCHOZQT-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281376;MM281376;CCCC(O)C=CCCN;DHHIKDCILDXDEF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281377;MM281377;N#CCON=CCCO;AIFMMIZSVQNVPQ-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281378;MM281378;NN=CON=CCCO;UKAYZJIGFDSRJF-UHFFFAOYSA-N;131.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281379;MM281379;CCCC=CC(O)CCO;JMDKQEBFZOIJSC-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281380;MM281380;CCCC=CC(F)CCC;UZGKNSRHDUQOID-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281381;MM281381;CCCC=CC(F)CCN;QWDFYVDUTNJNFE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281382;MM281382;CNCC=CC(C)CCN;UBWVQXGXZQIDMI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281383;MM281383;CNCC=CC(C)CCF;NVQLARIBZJYDLI-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281384;MM281384;CNCC=CC(N)CCF;CRUBPHBUSYYETL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281385;MM281385;CCCC(O)C=CCOC;AQLVKKYMEXBMJI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281386;MM281386;CNCC(C)C=CCCN;LZXZOIRUHVILJR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281387;MM281387;CNCC(N)C=CCCF;SKKUCLVPBJQJCN-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281388;MM281388;CCCC=CC(O)CNC;SSLCOIGEOQQBLC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281389;MM281389;CNCC(F)C=CCCN;IBRKMKOANXGHCM-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281390;MM281390;CNCC(N)C=CCOC;YLRVPDMNSQUCKY-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281391;MM281391;CNCC(O)C=CCOC;URIUGBMTHDFUOZ-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281392;MM281392;CNCC(F)C=CCOC;BVZFBFKCBZSRHY-UHFFFAOYSA-N;147.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281393;MM281393;COCC(C)C=CCCN;VJMWTKHCBGXHLA-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281394;MM281394;CNCC=CC(N)COC;NWTBBICCUBYQEG-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281395;MM281395;CCOC=CC(C)CCN;ASQLOQSKAKEQTK-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281396;MM281396;C=CC=NN=CCCO;OFMADXPIZPZNCC-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281397;MM281397;CCOC=CC(N)CCO;QQMQCIRTXFENDU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281398;MM281398;CCOC=CC(N)CCF;YTGOOCPLQHQENF-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281399;MM281399;CCCC(O)C=COCC;NXBJGTJZXHWSIM-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281400;MM281400;CCCC(F)C=COCC;RYDPGCRLIWCCHM-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281401;MM281401;CCOC=CC(N)CNC;RGLRBHAHEXKARY-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281402;MM281402;CCOC=CC(O)COC;FYZCCCXZCMGULE-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281403;MM281403;CCNN=CC(C)CCN;WWLOTXLAFFYVIL-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281404;MM281404;CCCC(N)C=NNCC;IAGKOCRTQQXULO-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281405;MM281405;C#CCOC(N)=CC(N)=O;WGSKSEQAYRRKOE-UHFFFAOYSA-N;140.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281406;MM281406;CC(C#N)NCCC(N)=O;WNQLEEJRFCSPEP-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281407;MM281407;CCNN=CC(O)CNC;MQUZKUFGQMEWAF-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281408;MM281408;CCN(C)N=C(C)CCO;QLHBJDAXFLJTMP-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281409;MM281409;CCON=CC(C)CCN;DDKVYMNZUIRBSJ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281410;MM281410;CCON=CC(N)CCO;DAGOQZIAIYDIDC-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281411;MM281411;CCON=CC(N)CCF;GGIBRUYZRUZPTI-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281412;MM281412;CCON=CC(O)CCN;PBEPGSJWASMGGN-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281413;MM281413;CCCC=CC(C)NCC;YHXDSSAEPYWBBN-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281414;MM281414;CCNC(C)C=CCCN;RPIMBMXZEKBMIK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281415;MM281415;CCNC(C)C=CCNC;JUWNKYKKYIFXFA-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281416;MM281416;CCCC=CC(C)OCC;SRJIFFYQVZRHKG-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281417;MM281417;CCOC(C)C=CCCF;RESVYCGVQAOVKE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281418;MM281418;CCNN=CC(C)OCC;ILOMFAKGKLLNMM-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281419;MM281419;CCON=CC(C)OCC;QLKXGKQTQHLDFF-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281420;MM281420;CCCN=CN(C)CCC;FQFQRUTYFPXDNB-UHFFFAOYSA-N;142.25;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281421;MM281421;CCCN(C)C=NCCO;UOZPUDQEILERAZ-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281422;MM281422;CCCN=CN(C)CCN;JOBJRRILKMIYLH-UHFFFAOYSA-N;143.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281423;MM281423;CCCN=CN(C)CCO;BQIXBGAGQWTZDQ-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281424;MM281424;CN(C=NCCN)CCO;FIISGZLYWUNLDV-UHFFFAOYSA-N;145.21;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281425;MM281425;CN(C=NCCO)CCO;GRCXFLQGSQACLY-UHFFFAOYSA-N;146.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281426;MM281426;CC(CCO)=NN(C)C=O;XWQYYEZDVFUSDG-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281427;MM281427;C=NOC(CC(N)=O)OC;GWBKMLQSBAQTRR-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281428;MM281428;CCC(CCO)=NN(C)C;DZDRQXFIDINSRS-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281429;MM281429;CCCN(N)C=NOCC;GUMSIQVQYHNULR-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281430;MM281430;CCCN=CN(C)NCC;XCHGINPVNDXBBS-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281431;MM281431;CCON=CN(C)OCC;YEIXBUULYLGCHC-UHFFFAOYSA-N;146.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281432;MM281432;CCCC=NN(C)CCC;ALSQOACDQZXSPD-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281433;MM281433;CN(CCN)N=CCCF;MVPHUHNCWGLUGS-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281434;MM281434;CN(CCF)N=CCCF;UGGRKQVCVMTIOZ-UHFFFAOYSA-N;150.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281435;MM281435;C=COC(=CC(N)=O)CF;ZLTSBSZHCVJPNS-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281436;MM281436;CN(N)C=NN=CCCO;XCQNNGUUOAAUAV-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281437;MM281437;C=CCC=CC(C)CCC;KFCMWHNMYHUOKM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281438;MM281438;CCCC(C)C=CCC#N;MPQDRBMJMJWVLV-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281439;MM281439;C=CCC=CC(C)CCN;AJUZVIBXPLWGST-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281440;MM281440;C=CCC=CC(N)CCO;SRLRPLOHYRDUCV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281441;MM281441;C=CCC=CC(N)CCF;UWFLZPWEONIWJE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281442;MM281442;CN(C=NN)N=CCCO;DRHMDRQSXNRETO-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281443;MM281443;CCCNN=C(C)CCO;IXEFXWUUCSOJGQ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281444;MM281444;O=CCC=CC(O)CCO;AGLSRLNCEIRSDT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281445;MM281445;C=CCC=CC(F)CCN;SWQFNBWJXMUWGK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281446;MM281446;CNCC(C)C=CCC#N;XFVFQUIYZBOUQN-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281447;MM281447;C=CCC=CC(N)CNC;UIHDSLYPPVFVGA-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281448;MM281448;CNCC(O)C=CCC=O;MCIMEEGTKSGPAJ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281449;MM281449;COCC(C)C=CCC#N;ZVLHPOYDLBOVDZ-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281450;MM281450;CC(C=CNC=N)CCN;LZLMMNXPELDALL-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281451;MM281451;CC(C=CNC=N)CCO;LZJPYTMQBKHJRK-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281452;MM281452;CC(C=CNC=N)CCF;YMSZBTIKDLPPIC-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281453;MM281453;CCCC(N)C=CNC=O;BOOMELOMXFDGAB-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281454;MM281454;N=CNC=CC(N)CCN;PGPXFEDTPGCWBD-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281455;MM281455;NCCC(N)C=CNC=O;IQNONNNVYYTECC-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281456;MM281456;N=CNC=CC(N)CCF;PDVUYADBGANJNJ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281457;MM281457;N=CNC=CC(O)CCO;PYGDDVVGCUPCBW-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281458;MM281458;CCCC(F)C=CNC=N;QAYBQWLACHDTDZ-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281459;MM281459;CNCC(C)C=CNC=O;QSXOIHYJTXOQPA-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281460;MM281460;CNCC(N)C=CNC=N;UHCINBKSBDKIHU-UHFFFAOYSA-N;142.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281461;MM281461;CNCC(O)C=CNC=N;AVTSUGMCZZVNHR-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281462;MM281462;CC(C=COC=O)CCN;MYEBSMDJAYWKTJ-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281463;MM281463;CCCC(N)C=COC=O;ZVPCXHHXYGCUNP-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281464;MM281464;C=COC=CC(N)CCN;YXORFLCGUAPPJB-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281465;MM281465;NCCC(N)C=COC=O;MIVAKBOCDSEOFU-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281466;MM281466;C=COC=CC(O)CCC;VNVFQYXTMCVFEI-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281467;MM281467;CCCC(O)C=COC=O;IOGUXUWKGCNIFH-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281468;MM281468;C=COC=CC(F)CCN;RFHXBBMDJRMCNH-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281469;MM281469;C=COC=CC(F)CCF;VUUSTBNVEPQHPO-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281470;MM281470;C=COC=CC(C)CNC;OZIFNNVJJSZYQV-UHFFFAOYSA-N;141.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281471;MM281471;CNCC(C)C=COC=O;ORJUGSIETLONRE-UHFFFAOYSA-N;143.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281472;MM281472;C=COC=CC(O)COC;TWIKEZCZRTYNBX-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281473;MM281473;CC(C=NNC=O)CCN;QTSFFSIMFAVSBE-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281474;MM281474;CC(C=NNC=O)CCO;XLTXVSKGZUOBMM-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281475;MM281475;N=CNN=CC(O)CCN;BVOXWIAYGSMDHT-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281476;MM281476;NCCC(O)C=NNC=O;ZNHLRCGZTVMYDQ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281477;MM281477;O=CNN=CC(O)CCO;VUXCSCFIVSKOAY-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281478;MM281478;CNCC(C)C=NNC=N;REFSNPAZRHFYGE-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281479;MM281479;CNCC(O)C=NNC=N;MMKIDHVZDSYKBJ-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281480;MM281480;CNCC(O)C=NNC=O;RYZSFTOJKPNVIX-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281481;MM281481;COCC(O)C=NNC=O;UPOQCDMTVOADEG-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281482;MM281482;COCC(F)C=NNC=O;VUJBFCIBVALBCA-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281483;MM281483;CCCC(C)C=NOC=O;KUHHAQHXWJRUIP-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281484;MM281484;CC(CCO)=NNCCF;BSIYDMLFSPMOKE-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281485;MM281485;CC=C(CC)N(N)C(N)=O;STQUETARVWXQEM-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281486;MM281486;CC=CN(C(N)=O)N(C)C;BHAIXBGJGIYTRE-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281487;MM281487;CNCC(O)C=NOC=O;SNGFBRZVEZHGGO-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281488;MM281488;CCNC(C)C=CCC#N;IUXHHLSANJHBLF-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281489;MM281489;CCNC(C)C=CNC=N;NOAYMTVJXZRLRM-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281490;MM281490;CCOC(C)C=CNC=O;IKWIUPMDRTYAQA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281491;MM281491;C=COC=CC(C)OCC;KNXNDAWNXCUXHU-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281492;MM281492;CCOC(C)C=NNC=O;FCXWBQFXXCJIHY-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281493;MM281493;CCOC(C)C=NOC=O;JQVHFRYRDVOPDC-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281494;MM281494;C=CCN=CN(C)CCN;LCKSLGKNDPLZHW-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281495;MM281495;C=CCN=CN(C)CCO;YNYMEBFJUXTSGA-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281496;MM281496;Cc1cc(=O)nc(N)n1N;JDIOSXRCAAINCS-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281497;MM281497;CCCN(C)C=NNC=O;VCMCWXYZUMYIQO-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281498;MM281498;CN(C=NNC=O)CCO;COPNTHVSQDQIBQ-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281499;MM281499;N=C(NN)ON=CCCO;JGNFNZNWXNETBF-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281500;MM281500;COC(=O)ON=CCCO;IGRYDPGAWPVDNR-UHFFFAOYSA-N;147.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281501;MM281501;O=CNN=CN(O)CCO;DVQPAQHNVBKQNQ-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281502;MM281502;O=CNN=CN(O)CCF;SKPIRFAWBZVHHS-UHFFFAOYSA-N;149.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281503;MM281503;CCCN(C)C=NOC=O;XLDDJMGAEDPACQ-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281504;MM281504;CC(=NN=CCCO)NN;OEMZMOCGWZDZDG-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281505;MM281505;CCCN(N)C=NOC=O;RNWAGRBTPJSIKF-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281506;MM281506;C=CC(C)=NN=CCCO;HEIGLKNIOKQDLF-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281507;MM281507;NN(C=NOC=O)CCF;PMFUNKOOXNSFRE-UHFFFAOYSA-N;149.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281508;MM281508;C=NN(C)C(C#N)CCO;LQGPCLWAHBSKCS-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281509;MM281509;CC(CF)C(CCO)=NN;SMGLDJCEHVSIHV-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281510;MM281510;C=CCN=CN(C)NCC;ZIXLGDCFFCURLQ-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281511;MM281511;CCON(C)C=NNC=O;LWESTDWIAHTXLS-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281512;MM281512;CCCNC(C#N)CC=O;NQLICVLOJSIKSM-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281513;MM281513;C=NOC=NN(C)CCN;ZRZHQHGJWCJXBL-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281514;MM281514;C#CCC=CC(C)CCC;VXOFVRAVTFFTRK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281515;MM281515;C#CCC=CC(C)CCN;FDPJKCRCMLRBBE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281516;MM281516;C#CCC=CC(F)CCC;SCRCPPXVHVZEHU-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281517;MM281517;C#CCC=CC(C)COC;MYHVSJWUYYAIJD-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281518;MM281518;C#CCC=CC(C)OCC;LMBVXFXHRJNWGJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281519;MM281519;C#CCN=CN(C)CCC;CAMBMVJUOPLDME-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281520;MM281520;C#CCN=CN(C)CCF;FODHZLVQEFYTIT-UHFFFAOYSA-N;142.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281521;MM281521;C#CC(C=NN)CNC=O;XDKVASGWORQSGE-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281522;MM281522;NN=C(CCO)CCCF;WSQVLKSLYGRHOP-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281523;MM281523;C#CCN=CN(C)OCC;NKJNTVARHBCEIX-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281524;MM281524;C#CCC=NN(C)CCC;UFRCOZHUTXGOLR-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281525;MM281525;C=CCC(C)C=CCCC;PZHWHDLTMVPELO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281526;MM281526;C=CCC(C)C=CCCN;QGARMVJYTDSRPK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281527;MM281527;C=CCC(C)C=CCCO;IOSNBIWRQGFPCL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281528;MM281528;CCCC=CC(C)CC=O;ACWPAUGIKXVVQT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281529;MM281529;CC(C=CCCF)CC=O;CGTWKKVBMNRDPQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281530;MM281530;C=CCC(N)C=CCCC;ZUSPTUHQRQQLEG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281531;MM281531;C=CCC(N)C=CCCF;SWEPQNWOUFLQAR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281532;MM281532;CNN=CC(CCO)OC;ORGFACCSOHLRPG-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281533;MM281533;C=CCC(O)C=CCCN;RHWQYMDAAUZYMN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281534;MM281534;CN=NC=C(CCO)NN;YWUQRKOCVMIZMF-UHFFFAOYSA-N;144.18;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281535;MM281535;CON=CC(=CN)C(N)=O;DMVUTTPJAKNZQB-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281536;MM281536;CCCC=CC(O)CC#N;LEHBNZAFCBRGAI-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281537;MM281537;N#CCC(O)C=CCCO;UIPJIDVICNWWER-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281538;MM281538;C=CCC(F)C=CCCN;RJUWYIQSXCIQHS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281539;MM281539;C=CCC(F)C=CCCF;RSVNZRXQLRKNOF-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281540;MM281540;CCCC=CC(F)CC=O;FLTOFVXSMCVEQK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281541;MM281541;N#CCC(F)C=CCCO;DAKCBCJCOQUVNZ-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281542;MM281542;O=CCC(F)C=CCCF;YTDWOUOPPLXJEF-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281543;MM281543;C=CCC(C)C=CCNC;QBKUJPAXQGCIMV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281544;MM281544;C=CCC(N)C=CCNC;ILGPRAFWDVSLEY-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281545;MM281545;C=CCC(O)C=CCNC;HIQPWPPXBTZZQS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281546;MM281546;CNCC=CC(O)CC=O;JXRADZFKBPRJMB-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281547;MM281547;C=CCC(F)C=CCNC;NNBLWEZFZVUKSV-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281548;MM281548;C=CCC(C)C=CCOC;UCBBVEJLRQNYSC-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281549;MM281549;COCC=CC(C)CC#N;OXMGFYOZWBRJPD-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281550;MM281550;C=CCC(N)C=CCOC;RYBZUXHRIWZCMQ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281551;MM281551;C=CCC(O)C=CCOC;PWHMEMJCAIYNAT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281552;MM281552;COCC=CC(O)CC=O;REQULNDEMXPUNW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281553;MM281553;C=CCC(C)C=COCC;DNAJEDGLYXTXAO-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281554;MM281554;CCOC=CC(C)CC#N;JTLVYTAVZUSNPY-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281555;MM281555;C=CCC(N)C=COCC;NFQCZUWZNKTYEW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281556;MM281556;C=CCC(O)C=COCC;JAICOYREATXDLJ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281557;MM281557;CCOC=CC(O)CC#N;BITKYFQBCSAGSD-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281558;MM281558;CCOC=CC(F)CC=O;HMMDIJCNPLVMFS-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281559;MM281559;C=CCC(C)C=NNCC;IMQWSBVLLILDOP-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281560;MM281560;COC(C#N)=C(N)CCO;LCJLNAGMEVQVCA-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281561;MM281561;CCNN=CC(C)CC#N;RMYDHJQLVGPQLD-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281562;MM281562;N#CC(C#N)=C(N)CCO;SAYAVZCQPQPNNW-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281563;MM281563;C#CC(C#N)=C(N)CCO;QBUFJRCMNDBCID-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281564;MM281564;C=CCC(C)C=NOCC;ZOUMTOJFKIABFZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281565;MM281565;CC(NC=O)C1(C=O)CC1;ITDGXYGVCAGWEA-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281566;MM281566;CCON=CC(C)CC#N;ZUYMBDWRFDKHCG-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281567;MM281567;C=CCC(N)C=NOCC;NPCMLSMKTVRKIG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281568;MM281568;C=CNC1=NC(CF)CO1;IJHUCODQOQCFFT-UHFFFAOYSA-N;144.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281569;MM281569;CCCC=CC(C)NC=N;FHMJMAKQNLMNEB-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281570;MM281570;CC(C=CCCN)NC=N;LULVHWZEISEFSD-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281571;MM281571;N#CCCON=CCCO;KHSJAINNEQWTMQ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281572;MM281572;C=NNC(C)C=CCCC;TTYFJOMREPGRGR-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281573;MM281573;C=NNC(C)C=CCCN;TXHSTTQOUSZJPJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281574;MM281574;C=NOCON=CCCO;IJXATZTZDRYPGO-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281575;MM281575;C=NNC(C)C=CCCF;XOVBVFAAGOVSSZ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281576;MM281576;CCNN=CC(C)NC=N;BOJROTQMEPQGSI-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281577;MM281577;C=COC(C)C=CCCC;FSBIQWNZXOHCEJ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281578;MM281578;C=NOC(C)C=CCCC;ZQULHTGHACYZSK-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281579;MM281579;C=COC(C)C=COCC;HHWBOMSVDZWSJC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281580;MM281580;CCNN=CC(C)OC=O;GKAIKTJNSZVCOU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281581;MM281581;C=COC(C)C=NOCC;PSMOILLCJYRUNE-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281582;MM281582;C=NOC(C)C=NOCC;XRHJOQNXBIZQJM-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281583;MM281583;C=CCN(C)C=NCCN;PNCHVACPCCAYHQ-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281584;MM281584;C=CCN(C)C=NCCO;IHEOWQIJZCCOHF-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281585;MM281585;CCCN=CN(C)CC#N;BQCREWAILNUXMZ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281586;MM281586;CNN=CON=CCCO;IDYUGRWHIUFBAE-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281587;MM281587;CON=CON=CCCO;OOBOJEYRGPGUQT-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281588;MM281588;C=NN=CON=CCCO;UPNWMHAIRQJYKW-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281589;MM281589;C=NOCC=CCNC=O;KRXMEAGWPCNAJI-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281590;MM281590;C=CCN(C)C=NOCC;OBEIDBUJEVNBMH-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281591;MM281591;C=CCN(N)C=NOCC;LPTHIUBGQLEUPW-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281592;MM281592;CC(C)(F)CNC=O;KTCQJQBODDVTNF-UHFFFAOYSA-N;119.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281593;MM281593;CN(C)N=CC(N)=O;INJCVHGHBWIEHW-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281594;MM281594;CCON=CN(C)NC=N;DTMZOEZDINEKPG-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281595;MM281595;CCCN=CN(C)OC=O;VOBDTLKMODADED-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281596;MM281596;CN(C)N=CCCO;LDQYWQFXOWHWGL-UHFFFAOYSA-N;116.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281597;MM281597;CCNN=CC(N)=O;DCUIPDWPBGBHGB-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281598;MM281598;C=CCN(C)N=CCCF;JIQJMJOKIAWCHI-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281599;MM281599;N#CC=C(N)CCO;HKJWNHNUPNHZAH-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281600;MM281600;C=CCC=CC(C)CC=C;ICIHTRUGLSIGSB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281601;MM281601;C=CCC(C)C=CCC=O;UTPSSPAULDYIIH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281602;MM281602;C=CCC(C)C=CCC#N;LRQSQUJLJFAGRX-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281603;MM281603;C=CCC=CC(C)CC=O;WDGIQSKSUXITIR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281604;MM281604;C=CCC=CC(C)CC#N;JENYNWPNAJHLFG-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281605;MM281605;CC(C=CCC=O)CC#N;IWXMMZIDZCOTLA-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281606;MM281606;CC(C=CCC#N)CC=O;KFUIVCBDLBHLBT-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281607;MM281607;CC(C=CCC#N)CC#N;AIPSDBLTVLHXSE-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281608;MM281608;C=CCC=CC(N)CC=C;YWXJFOAXRRWQKC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281609;MM281609;CNC(C#N)CCO;PFKYRZUWWAOOBW-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281610;MM281610;N#CC(=CN)CCO;HZXVUNGZCHCDBV-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281611;MM281611;C=CCC=CC(F)CC=C;QSGXHASLMRQXBE-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281612;MM281612;C=CCC(F)C=CCC=O;RZNBPJQKKMZWAZ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281613;MM281613;C=CCC(F)C=CCC#N;AWLFKWUQAYLEMA-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281614;MM281614;C=CCC=CC(F)CC=O;PLYHBYKIVXUGAH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281615;MM281615;C=CCC=CC(F)CC#N;FQIDRPVXQLDBCZ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281616;MM281616;C=CCC(C)C=CNC=O;DVBLVVWADIPEMJ-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281617;MM281617;C=CCC(N)C=CNC=N;YFSGSXCLAVVAOU-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281618;MM281618;C=CCC(O)C=CNC=N;JLAKKKCDIMNGAX-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281619;MM281619;N#CCC(O)C=CNC=N;MWYHVKFOAXLKGK-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281620;MM281620;N#CCC(O)C=CNC=O;LQNJEZRFGVCBOU-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281621;MM281621;C=CCC(F)C=CNC=N;OYKXBBAXGCNMEQ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281622;MM281622;C=CCC(F)C=CNC=O;XNPMNTRNBARUDR-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281623;MM281623;C=CCC(C)C=COC=C;FGAKICNALNLYLE-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281624;MM281624;C=CCC(C)C=COC=O;VVOIHOZINXQFMP-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281625;MM281625;C=COC=CC(C)CC=O;VQPXJMKIGSKRLQ-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281626;MM281626;C=CCC(O)C=COC=C;MIGNVXVSWJOYCG-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281627;MM281627;C=COC=CC(O)CC=O;YTBRPWXUUPPZJG-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281628;MM281628;C=COC=CC(O)CC#N;QSACTOBTRBKJNV-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281629;MM281629;N#CCC(O)C=COC=O;YPIMPMDHSGINQU-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281630;MM281630;C=CCC(F)C=COC=O;BADCPJJZQYUYRF-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281631;MM281631;C=COC=CC(F)CC=O;CQTCUIDCFCQOLF-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281632;MM281632;OCCC=NN1CC1;ILAGBVGFAJQYDO-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281633;MM281633;C=CCC(F)C=NNC=O;SAIRVMJWMXQRSE-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281634;MM281634;C=CCC(C)C=NOC=O;TWYKXASHNXRZSA-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281635;MM281635;CC(C=NOC=O)CC#N;ZQABKOPZRCTVKR-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281636;MM281636;CC(C)(C=NN)NC=O;YBFGQOAWGBJKIA-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281637;MM281637;C=CCC=CC(C)NC=N;OSXSAKZHXLMQFK-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281638;MM281638;CNC(=O)C=C(C)CF;LVYVLRBBHLBVKJ-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281639;MM281639;CON=CNCC(N)=O;HXSWNMWHQMSNFG-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281640;MM281640;CC(C=CCC#N)NC=O;WETLJSGFGZSYPE-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281641;MM281641;C=CCC=CC(C)NN=C;RXKJWXQZIFTMDJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281642;MM281642;C=NNC(C)C=CNC=N;KBCMBCZKAOANBC-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281643;MM281643;C=COC=CC(C)NC=N;AONITFSPOBZYRF-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281644;MM281644;C=COC=CC(C)NN=C;SVVZTQCFOPZZDK-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281645;MM281645;C=NNC(C)C=COC=O;JCYQLOTWYLKSRX-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281646;MM281646;C=NOC(C)CNC=O;WANRHTGYPABNNC-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281647;MM281647;C=COC(C)C=CCC#N;PCGNBFZMFSGLME-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281648;MM281648;CC(C=CCC=O)OC=O;UROWDKGUIHYAMI-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281649;MM281649;CC(C=CCC#N)OC=O;WQBGBCGZTIFVIH-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281650;MM281650;C=CCC=CC(C)ON=C;IVASERNXJUMRKQ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281651;MM281651;CC(C=CNC=N)OC=O;CVVRUWBAKSSVCS-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281652;MM281652;C=COC(C)C=NNC=O;JCWZOMDTHBIJFJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281653;MM281653;CC(C=NNC=O)OC=O;ZHDDVZDWKFGNIT-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281654;MM281654;C=NOC(C)C=NOC=O;VEGKWDSKSCXRMU-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281655;MM281655;CC=NOC(C)CCO;FATWKYRYCWDPIW-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281656;MM281656;N#CCN=CN(O)CC#N;PTACZHKDSAHNBN-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281657;MM281657;CNC(=O)C1(C)NC1C;RBVVBNQAUMXHLV-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281658;MM281658;CN(C=NCC#N)NC=N;PESCCASQECNGTA-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281659;MM281659;CNC(=O)C1(C)CN1C;DITSSKRYZOJBFL-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281660;MM281660;CN(C=NNC=N)NC=N;RMQOMPHSBKPKJO-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281661;MM281661;CN(C=NOC=O)NC=N;DONVLUCLGYPDDI-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281662;MM281662;CN(C=N)N=CCCO;XHOLRZQBFDVSMQ-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281663;MM281663;C=CCN=CN(C)OC=O;UTXGWPSFYCMEFK-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281664;MM281664;C=CCN(C)N=COC=O;MDIDLAOLWMNZJI-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281665;MM281665;CN(C=O)N=CCCO;ZHKVGMGHWSSKMC-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281666;MM281666;C#CCC=CC(C)CC#N;LJZCYJMZXAYRNG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281667;MM281667;CC(C#N)=C(N)CCO;UCVSIIPJFUTJBT-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281668;MM281668;C#CCC=CC(O)CC=O;MMAFENQRTHQDCC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281669;MM281669;C#CCC=CC(F)CC=O;PHNFUCSYVWBSFS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281670;MM281670;C#CCC=CC(F)CC#N;BRUXPFMVGOTXAY-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281671;MM281671;C#CCC=CC(C)NC=N;QFNJYVNSSCNRSO-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281672;MM281672;C#CCC=CC(C)NN=C;AHYHLBWIRMROHD-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281673;MM281673;O=CNCCC1(F)CC1;ATIZBRSIHOPMPA-UHFFFAOYSA-N;131.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281674;MM281674;CNC=C(C#N)CCO;FCDXORKZFHCURE-UHFFFAOYSA-N;126.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281675;MM281675;C#CCC(C)C=CCCC;NAKHRUXPMJWFHT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281676;MM281676;C#CCC(C)C=CCCN;HZUPEBJARFDEBF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281677;MM281677;C#CCC(C)C=CCCO;MQIKTXXOWAYVHT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281678;MM281678;C#CCC(N)C=CCCC;LLWFFKDCPMGGDC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281679;MM281679;CN(C)C(C#N)CCO;KWUKANOQKVOMKK-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281680;MM281680;N#CC(CCO)=C(N)N;RFUXAXOWZJDSAC-UHFFFAOYSA-N;127.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281681;MM281681;C#CCC(F)C=CCCO;FOYKYYOMUCOGJC-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281682;MM281682;C#CCC(F)C=CCNC;LBFFJVVSYLUQAF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281683;MM281683;C#CCC(C)C=CCOC;HKMAQKKMMZPLRA-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281684;MM281684;C#CCC(C)C=COCC;IDXNTINJJUSKAR-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281685;MM281685;C#CCC(N)C=COCC;DXLFRBUOHPBDBO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281686;MM281686;C#CCC(O)C=COCC;YAIBONIINRCKMS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281687;MM281687;CC1CN1N=CCCO;BNRAMRMVOMOTFN-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281688;MM281688;C=NOC1CC1C(N)=O;SJVBAYODKFLLDX-UHFFFAOYSA-N;128.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281689;MM281689;C#CCC(C)C=NOCC;OIMDWMTZHNWWLX-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281690;MM281690;C#CCN(C)C=NCCC;IEEJLCQCLFYYQZ-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281691;MM281691;CON=CN(N)CC(N)=O;JWBCMDUXNNYHTM-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281692;MM281692;CC(C)=NOC(C)CCO;PKIIBTMUBDIPGU-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281693;MM281693;C#CCN(N)C=NOCC;AICJHLFZGZRLOA-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281694;MM281694;C=C(C=O)OC=CC(N)=O;YUWOYBXHDCYOGS-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281695;MM281695;C#CCN(C)N=CCCN;RMDMKGGUUWBMGV-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281696;MM281696;C#CCN(C)N=CCOC;YVFQVTOEBZXIHO-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281697;MM281697;C#CCC(C)C=CCC=C;HZQFOMZLKUMRAT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281698;MM281698;C#CCC(C)C=CCC=O;FTASXPLDLPGNRS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281699;MM281699;C#CCC(C)C=CCC#N;DMRTZXAAMHBSHJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281700;MM281700;C#CCC(F)C=CCC=C;KHSZWNMHKZECFZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281701;MM281701;C#CCC(F)C=CCC#N;WNCSPZXSUBGUNZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281702;MM281702;C#CCC(C)C=CNC=N;GHOVMDFBFQUKOE-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281703;MM281703;C#CCC(C)C=CNC=O;DMTDVPYWVZJWLW-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281704;MM281704;C#CCC(N)C=CNC=N;BQACZEFFHSQVAH-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281705;MM281705;C#CCC(N)C=CNC=O;FLTFWODRQFJLOV-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281706;MM281706;C#CCC(O)C=CNC=O;RUALCBMXESWOFE-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281707;MM281707;C#CCC(F)C=CNC=O;DFIMWUNBIKGFMS-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281708;MM281708;C#CCC(C)C=COC=C;XJAJMFSERNESGB-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281709;MM281709;C#CCC(C)C=COC=O;JWSLOXSANROSJQ-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281710;MM281710;C#CCC(N)C=COC=C;ALDFTBKNIAYLIP-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281711;MM281711;C#CCC(C)C=NNC=O;CTEUFAZSIAIANR-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281712;MM281712;C#CCC(O)C=NNC=O;AYWBMWPKMADZRE-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281713;MM281713;C#CCC(N)C=NOC=O;DFEWBVYTQJXVFW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281714;MM281714;C=NOC(C)CC(=O)NC;GYZDVLVKJMWGPU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281715;MM281715;C#CCC(C)N=CNC=C;KLHRTNQIDQMWMW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281716;MM281716;C#CCN(C)C=NCC=C;DINTYSRCXAMAON-UHFFFAOYSA-N;136.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281717;MM281717;C#CCN(C)N=CCC=C;KJOVUXFYQLVCGG-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281718;MM281718;C=C(CCO)NC(=N)C#N;OGXHNENUOWVSFQ-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281719;MM281719;C#CCN(C)N=COC=C;GHKBGNQBZVBWRO-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281720;MM281720;C#CCN(C)N=COC=O;YMRCIDZDJOOOFB-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281721;MM281721;C#CCN(C)N=CON=C;KBUNBWDZPGPQMW-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281722;MM281722;C#CCC=CC(C)CC#C;QLMNASQFVZJHOK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281723;MM281723;C#CCC=CC(N)CC#C;LOMYXBURCZKWRL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281724;MM281724;CC1(NC(=O)C=CN)CC1;KSYIWMUTCSRCCI-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281725;MM281725;C#CCC=CC(F)CC#C;SXDGILINQQDDSI-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281726;MM281726;C#CCC=NN(C)CC#C;YLULHKPYWRWBKY-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281727;MM281727;C=C(C=CCCC)CCC;OFIKWRPXSNTQKK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281728;MM281728;C=C(C=CCCF)CCC;KFJHLYSTJOHXKD-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281729;MM281729;C=C(C=CCCC)CCN;YKYVSXLBDLPKOA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281730;MM281730;C=C(C=CCCN)CCN;RTPOAZMJNWFBMC-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281731;MM281731;C=C(C=CCCF)CCN;AOAAYCGTHKFKJD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281732;MM281732;CN(C)C=C(C#N)CCO;GQOMPQLXTOJQRA-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281733;MM281733;C=C(C=CCCN)CCF;NYDBPWAWEATBFY-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281734;MM281734;NC(=O)C=COC=CC=O;VQMZOEWBEBYOKJ-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281735;MM281735;CCCC=CC(=O)CCC;HKLWIJVPORVEGF-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281736;MM281736;CCCC(=O)C=CCCF;LJZWLGWHCPZQJS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281737;MM281737;O=C(C=CCCO)CCO;RJNZECOGDYNGKU-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281738;MM281738;O=C(C=CCCF)CCO;BJVSUGFVHGHFNB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281739;MM281739;CCCC=CC(=O)CCF;FYDJVRUSSQQKCB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281740;MM281740;O=C(C=CCCF)CCF;WYOQJXPPIANTJW-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281741;MM281741;C=C(C=CCNC)CCC;RALMZYZSLIZPSQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281742;MM281742;C=C(C=CCNC)CCF;RNNMLVBEJHHFBR-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281743;MM281743;C=C(C=CCOC)CCC;FNSPFNHUDQEZPM-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281744;MM281744;CCCC(=O)C=CCOC;FCFNNNLIKFAWSA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281745;MM281745;C=C(C=CCCC)CNC;SLEOBZQPQLYZJH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281746;MM281746;C=C(C=CCCF)CNC;DGIQSWOENDHDLV-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281747;MM281747;C=C(C=CCNC)CNC;WUHQTZMSVXEUFJ-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281748;MM281748;C=C(C=CCCC)COC;QKGANWAZPZTVGD-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281749;MM281749;C=C(C=CCNC)COC;IHABIKDGVMZTGC-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281750;MM281750;CCCC(=O)C=CNCC;PVYPTWGBDAQMDS-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281751;MM281751;CCNC=CC(=O)CNC;XUYXLQUQHDHGAK-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281752;MM281752;C=C(C=COCC)CCC;FHRSOZIPZCRPNS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281753;MM281753;C#CCC#CC=CC(N)=O;UZVIFHUHWQXFES-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281754;MM281754;CCCC(=O)C=COCC;YGXMYHMENDBKBR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281755;MM281755;CCOC=CC(=O)CCF;XLYZCHMBYUDTRG-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281756;MM281756;C=C(C=NNCC)CCC;DPPRTLPTSWRBOQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281757;MM281757;C=NOCOC(C)CCO;IAEFXLKSXDZURZ-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281758;MM281758;C#CCCNC(=O)C=CN;PBLGGFMCPNDHNL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281759;MM281759;C=C(C=NNCC)COC;ZHRHZOKSGCWLTO-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281760;MM281760;C=C(C=NOCC)CCC;MSFXBYRESDQKBU-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281761;MM281761;CCCC(=O)C=NOCC;WRLZXQQZHREDHE-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281762;MM281762;CCC=NOC(C)CCO;ACLNFMIIIZCKKD-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281763;MM281763;CCCC=CC(=N)NCC;CSDLYJIDENBCHS-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281764;MM281764;COC=NOC(C)CCO;GTQMJNBFSSDGRZ-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281765;MM281765;C=CC=NOC(C)CCO;CWFWEVXKWHTTDV-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281766;MM281766;CCCC=CC(=N)NNC;LMLAJHOIAQGXTO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281767;MM281767;C=CCN(C)N=CCCO;PIIXPIPZIKIQDC-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281768;MM281768;CNNC(=O)C=CCCN;MQNFRHCJIZAWME-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281769;MM281769;CNCC=CC(=N)NNC;ZDTNMEOWYMNJGU-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281770;MM281770;CONC(=N)C=CCCO;ROFSBHHFXQLNEF-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281771;MM281771;CONC(=O)C=CCCF;JPVSXMZTMCFEAE-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281772;MM281772;CNCC=CC(=O)NOC;XMWJWXOSXBVXEY-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281773;MM281773;CCOC=CC(=N)NNC;OULIMAZODGJWTF-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281774;MM281774;CCNC(=N)C=NOCC;NUBNVOPRFDDGMA-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281775;MM281775;CN(CC#N)N=CCCO;SPACFHVKTOBUFK-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281776;MM281776;CC=NN1CC1C(=O)O;MBXZEPZMHDKXOK-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281777;MM281777;CCCC=CC(=O)OCC;SJRXWMQZUAOMRJ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281778;MM281778;CCOC(=O)C=CCCF;MDQQOGRKJVKMST-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281779;MM281779;C=C(C=NOCC)OCC;LCODRHIFONOISC-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281780;MM281780;CCON=CC(=O)OCC;OOGIESXDYGABFG-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281781;MM281781;C=C(C=CCC#N)CCC;WUCAGSCCMVGFMQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281782;MM281782;C=C(CCCC#N)C(N)=O;FVFITYMLSHMAQW-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281783;MM281783;C=CCN=CN(C)C(N)=O;RFQLXMOZNHVZCA-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281784;MM281784;CCC=C(C)N(N)C(N)=O;IIHYAGXGGCHGBL-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281785;MM281785;O=CCC=CC(=O)CCO;FEUGOOCYXPIIKL-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281786;MM281786;C=CCC=CC(=O)CCF;JWGSWXOLQVHFJH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281787;MM281787;C=CCC=CC(=C)CNC;ARCGPLLUBQINMU-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281788;MM281788;C=CCC=CC(=C)COC;QUYXUJZGQBTCHN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281789;MM281789;COCC(=O)C=CCC#N;VCYSCJVRAKZWOP-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281790;MM281790;C=C(C=CNC=N)CCC;TXHGIONQIDBPQK-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281791;MM281791;C=C(C=CNC=O)CCC;JYQMPJAYSXGASA-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281792;MM281792;O=CNC=CC(=O)CCF;FVDPTWHVDPEULJ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281793;MM281793;CNC(C#N)CCC(N)=O;OTJYATVFVQDQDR-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281794;MM281794;C=C(C=CNC=N)CNC;QBFUNPDVQYIIQW-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281795;MM281795;C=C(C=CNC=O)CNC;OMLRNDZQKBPUKX-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281796;MM281796;CNCC(=O)C=CN=CN;IDSFBZCIGZRBCV-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281797;MM281797;C=NNC=CC(=O)CNC;HJNJJUMSAUBOTK-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281798;MM281798;C=C(C=CNC=N)COC;WGLSBHZNGYOWCU-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281799;MM281799;COCC(=O)C=CNC=O;HJBVVOSKTCFIQS-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281800;MM281800;C=COC=CC(=C)CCC;OOSABOOFVGWKNH-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281801;MM281801;C=C(C=COC=O)CCC;MKNWOLNDRTXVKW-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281802;MM281802;C=COC=CC(=C)CCN;HFHQPOYYRYEJDQ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281803;MM281803;C=COC=CC(=O)CCC;DLSQBKUOFNHWMJ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281804;MM281804;CCCC(=O)C=COC=O;COCSYZQWHUSJOZ-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281805;MM281805;C=COC=CC(=C)CNC;VQSQROCSEVAWDP-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281806;MM281806;C=COC=CC(=O)COC;CXOFWIZPTBOXIV-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281807;MM281807;C=C(C=NNC=O)CCN;YOXFBHLRLXTADJ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281808;MM281808;C=C(C(=O)NC)C(C)=NN;VEABNXYQPPZVJC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281809;MM281809;O=CNN=CC(=O)CCO;IVZLZOKGIKLYFT-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281810;MM281810;C=C(C=NOC=O)CCC;PVIUPEWATVRXSH-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281811;MM281811;C=C(C=NOC=O)CCN;BJWPJSAFGBMGLX-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281812;MM281812;CCCC(=O)C=NOC=O;NNVDTUYDFAFCCC-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281813;MM281813;O=CON=CC(=O)CCO;PCPAXLUTWLNUBT-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281814;MM281814;CCON=C(C)CNC=O;BWGCBLHHHGMPFT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281815;MM281815;C=CCC=CC(=N)NCC;UEEBEYHHYRYONZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281816;MM281816;NC(C=O)=NOCCCO;ZKJIKDSPKNUFNR-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281817;MM281817;CC(=NOCCCO)NN;PEBWMQKFTOAVQJ-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281818;MM281818;CONC(=O)C=CCC#N;OJRSPZXDLNVASP-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281819;MM281819;CCNC(=N)C=CNC=N;NQEYVAFCUJCHOE-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281820;MM281820;CCNC(=O)C=CNC=O;OPKAZSAHWXEOQI-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281821;MM281821;CNNC(=O)C=CN=CN;HGTVRGBKGYBVSE-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281822;MM281822;CCC(C)NN=CCCO;XGLVDLDRHAGWOH-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281823;MM281823;C=NNC=CC(=N)NOC;JWKHDUUBIZBVQQ-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281824;MM281824;C=COC=CC(=N)NCC;CWGKAJDVLNYJEH-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281825;MM281825;C=COC=CC(=N)NNC;FUABJZLVVCFKAY-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281826;MM281826;C#CC(C)NN=CCCO;JHAGCFQGIYTGAI-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281827;MM281827;CCNC(=O)C=NNC=O;CCZYVNCFNDAOTI-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281828;MM281828;N=C(CF)NN=CCCO;WRCSJRCQCAEOAM-UHFFFAOYSA-N;147.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281829;MM281829;COC(=N)NN=CCCO;KSYAOGOCEBVTRI-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281830;MM281830;CN(O)C(CC(=O)O)=NN;AKHWECQAQDBKHZ-UHFFFAOYSA-N;147.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281831;MM281831;CC1(C(=O)O)CC1C=O;YDONAUAMHQCHJS-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281832;MM281832;C=C(C=CNC=O)OCC;VXXFZAUCGDQZLY-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281833;MM281833;CCOC(=O)C=COC=O;YQLZAWWUMUPVQA-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281834;MM281834;C=C(C=NNC=O)OCC;DTLNUZGFCVDWQM-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281835;MM281835;C=CN=CNC(=N)CCC;LMGDTSYTCBEXHI-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281836;MM281836;C=CN=CNC(=N)CCN;SYWBAHBFGHNGHP-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281837;MM281837;C=CN=CNC(=O)COC;QDNOGPFQRJXBAL-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281838;MM281838;N=C(C=O)NN=CCC=O;UWEMEXUSXRODNG-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281839;MM281839;C=CN=CNC(=O)NOC;NTAHGFFRMQYECZ-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281840;MM281840;C#CCC=CC(=C)CCN;FMFRVDHVABXGRP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281841;MM281841;C#CCC=CC(=O)CCC;PJWMLHDROLZPKX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281842;MM281842;C#CCC=CC(=O)CCF;JKHJKUWGXVMARK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281843;MM281843;C#CCC=CC(=C)CNC;MDELGMWFYYKLAV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281844;MM281844;C#CCC=CC(=N)NCC;YRYGFBVYSXNQGR-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281845;MM281845;C#CCC=CC(=C)OCC;ZVIWBYWCWCITKM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281846;MM281846;C=CCC(=C)C=CCCC;KUSBOAJQIVHRRA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281847;MM281847;C=CCC(=C)C=CCCN;QNQLMBRQSKPPJK-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281848;MM281848;C#CC(=N)NN=CCCO;XDALJJQDQVDSGK-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281849;MM281849;C=CCC(=C)C=CCCF;QINSNPQYLMNAOS-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281850;MM281850;C=C(C=CCCC)CC=O;OHQYBTNTOGYDMH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281851;MM281851;C=C(C=CCCC)CC#N;SYFJLEKVCNKMIF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281852;MM281852;CCC(C)=NOCCCO;DJONZKUFFYRLGR-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281853;MM281853;CC(C=O)=NOCCCO;JQGMCFNTEXYHMQ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281854;MM281854;C=C(C=CCCF)CC=O;NHUBJICQEDJIOK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281855;MM281855;C=C(C=CCCF)CC#N;FMLZHZJEPPKURY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281856;MM281856;C=CCC(=O)C=CCCC;BGRVQSWCQKFXPY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281857;MM281857;C=CCC(=O)C=CCCO;GFYVUGGEZNWWMU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281858;MM281858;C=CCC(=O)C=CCCF;FJCJORGBJVWQLK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281859;MM281859;C=CCC(=C)C=CCNC;CUOCURVVCJSJHS-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281860;MM281860;C=C(C=CCNC)CC=O;ZOMWGBUVDNQPMY-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281861;MM281861;C=C(C=CCNC)CC#N;JNXNSWFJCVADBB-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281862;MM281862;C=CCC(=O)C=CCNC;ZMBFAQQZIYDQCG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281863;MM281863;C=CCC(=C)C=CCOC;YJVYEYWIOZPKIQ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281864;MM281864;C=C(C=CCOC)CC=O;QQVAXEMUCLFOCC-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281865;MM281865;C=C(C=CCOC)CC#N;NSDIQSQUAAFPCJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281866;MM281866;C=CCC(=O)C=CCOC;IUXPICPWUIBWSG-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281867;MM281867;C=CCC(=O)C=CNCC;BGPPMBTUXNTHPL-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281868;MM281868;C=CCC(=C)C=COCC;JXDRZHJWJIPYFU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281869;MM281869;C=C(C=COCC)CC=O;SLUFJBUFTNGHTK-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281870;MM281870;C=C(C=COCC)CC#N;JLYSBIGQSSBLHY-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281871;MM281871;C=CCC(=O)C=COCC;CWVVOSDSCMVRFY-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281872;MM281872;C=CCC(=C)C=NNCC;XKXLCAWGPKKHRD-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281873;MM281873;CCNN=CC(=O)CC#N;TVHUHHRJOQSBEO-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281874;MM281874;C=CCC(=C)C=NOCC;GSDWRUGCXZBWTI-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281875;MM281875;CC(C#N)=NOCCCO;QCMUTDCJJZSACB-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281876;MM281876;C=C(C=NOCC)CC#N;YXYGVOQJLBTTQV-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281877;MM281877;CCON=CC(=O)CC#N;FUJOAETXHSTXJV-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281878;MM281878;C=C(C=CCCC)NC=N;YBJLRIOKCVENPC-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281879;MM281879;C=C(C=CCCO)NC=N;CBQRWMYGOHTNEO-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281880;MM281880;C=C(C=CCCC)NC=O;ALQOFOYNVXRNQJ-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281881;MM281881;C=C(C=CCCN)NC=O;SNBFRUSGXLYEHT-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281882;MM281882;C=CNC(=N)C=CCCO;BSEYPQWWMKKURE-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281883;MM281883;C=CNC(=N)C=CCCF;QPSBSCGYTIDMPL-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281884;MM281884;CCCC=CC(=N)NC=N;ZHYNYXHHNVRKJE-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281885;MM281885;CC=C(C=NN)C(=O)NC;WOCOGYIUWXGJSX-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281886;MM281886;N=C(C=CCCN)NC=O;QHAZDPDYOCPEIR-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281887;MM281887;C=CNC(=O)C=CCCN;FNFRSMWHYIYEAL-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281888;MM281888;N=CNC(=O)C=CCCN;HOMPZMZNIWWIBM-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281889;MM281889;N#CC(CCO)=C(N)CF;NSWIUEJCXCCTLG-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281890;MM281890;CCCC=CC(=O)NC=O;FUTUERZJNBPFTE-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281891;MM281891;C=CNC(=N)C=CCNC;OMBCFOCQIOWKFL-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281892;MM281892;CNCC=CC(=N)NC=N;OBMMXTIVVVKNGB-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281893;MM281893;CNCC=CC(=N)NC=O;KIMHYVAGVQEJQZ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281894;MM281894;C=CNC(=O)C=CCNC;ZSUPKOMLBJZDLI-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281895;MM281895;CNCC=CC(=O)NC=N;PJBBJPWXUDPJKG-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281896;MM281896;C=C(C=CCOC)NC=N;OWZAIUPHPJLKHE-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281897;MM281897;COCC=CC(=N)NC=N;HASBUWKGMZSGGB-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281898;MM281898;CNC(N)=C(C#N)CCO;SJMARWYXEQBDDW-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281899;MM281899;C=NNCC(CCO)OC;ILISOPPNGXPKOK-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281900;MM281900;C=NNC(=N)C=CCCN;IKUIQMOXCBLNPK-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281901;MM281901;C#CCNC(C#N)CCO;NLBBAEMBDKKKAX-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281902;MM281902;C=NNC(=O)C=CCCN;BGSUHLIOMKIWIJ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281903;MM281903;C=NNC(=O)C=CCNC;MSTHQNKWUFPRFO-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281904;MM281904;C#CC(CCO)NCC#N;ZZYSPWACXODFSY-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281905;MM281905;C=NNC=C(C#N)CCO;ZLMMZHPSPMESIN-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281906;MM281906;C=C(C=COCC)NC=N;OHGWTKUYMOQEPL-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281907;MM281907;C=C(C=COCC)NC=O;WTYRBKUHUQPLKN-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281908;MM281908;C=CNC(=N)C=COCC;OYHVYSKBWJUGQC-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281909;MM281909;CCOC=CC(=N)NC=N;QBDFZIPPXUXEAK-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281910;MM281910;CCN(C=N)N=CCCO;QAAWOJHYRDSQCS-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281911;MM281911;C=CNC(=O)C=COCC;JMOCFZFRKDFOMR-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281912;MM281912;CCN(C=O)N=CCCO;KSKLQBRLHHNUDZ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281913;MM281913;C=CNC(=O)C=NOCC;OGUAEZISOXPEBJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281914;MM281914;N=CN(C=N)N=CCCO;JJBJHIPWXHAYFP-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281915;MM281915;C=COC(=O)C=CCCC;MWKUHAIEHRMHKU-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281916;MM281916;C=COC(=O)C=CCCF;XHADJNCIJGRFFI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281917;MM281917;C=COC(=C)C=CCNC;WAAKUNLUVNESCL-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281918;MM281918;C=COC(=O)C=CCNC;MGRLLZASIYJIEG-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281919;MM281919;C=COC(=C)C=CCOC;YYUKTRCIJQFXCX-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281920;MM281920;C=NOC(=O)C=CCCC;VIGOPBILDGLISY-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281921;MM281921;C=NOC(=O)C=CCCF;UBCIRIUVTZYOLX-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281922;MM281922;C=COC(=C)C=COCC;QHRIKNMJKAFYDJ-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281923;MM281923;C=COC(=O)C=COCC;VAGRPYOHNXNAFE-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281924;MM281924;C=NOC(=O)C=COCC;TYVGADKWMZGDIZ-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281925;MM281925;C=COC(=C)C=NNCC;ZBGUTKIOMVPVJL-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281926;MM281926;N=CN(C=O)N=CCCO;LOYHHYMQXOLTGP-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281927;MM281927;C=COC(=C)C=NOCC;OBIOVFRVTUQFLQ-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281928;MM281928;C=COC(=O)C=NOCC;MNXFRVHYBQJIAR-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281929;MM281929;C=CCC=CC(=C)CC=C;VMNVHUYVMPTAJB-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281930;MM281930;C=CCC(=C)C=CCC=O;QOUMJRMJLMUVIH-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281931;MM281931;C=CCC(=C)C=CCC#N;WKCACALOHOYYDB-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281932;MM281932;C=CCC=CC(=C)CC=O;AGSJAHJEFZUKRM-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281933;MM281933;C=CCC=CC(=C)CC#N;YTBOTCJGDBMGFU-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281934;MM281934;C=C(C=CCC=O)CC=O;VPAZDLZEYBOLHB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281935;MM281935;C=C(C=CCC=O)CC#N;CLCGQQOPEVSIQI-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281936;MM281936;C=C(C=CCC#N)CC=O;GPEXYPJVMLJOBK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281937;MM281937;C=CCC=CC(=O)CC=C;GPTGNNRCWFMFOW-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281938;MM281938;C=CCC(=O)C=CCC=O;SQHMIIAFVMTNLF-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281939;MM281939;C=CCC(=O)C=CCC#N;POPDBJZZQSJJDV-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281940;MM281940;C=CCC(=C)C=CNC=N;DXRWULVJHHWLIG-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281941;MM281941;C=CCC(=C)C=CNC=O;HQHNAFRACPBWIT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281942;MM281942;C=C(C=CNC=N)CC#N;VHCQGLQNPQMNQP-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281943;MM281943;C=CCC(=O)C=CNC=N;GIKUYLOJHSLPIV-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281944;MM281944;O=CN(C=O)N=CCCO;GTEHFBXKGQSQGK-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281945;MM281945;C=CCC(=C)C=COC=C;DUNRIJPLCLIUPN-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281946;MM281946;C=COC=CC(=C)CC#N;ZSOXXYRRNRQUKV-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281947;MM281947;C=C(C=COC=O)CC=O;QWHLKFSFWICXBF-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281948;MM281948;C=C(C=COC=O)CC#N;VISIFYUSIYRWAZ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281949;MM281949;C=CCC(=O)C=COC=C;JXEBKFUPHVQGRX-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281950;MM281950;C=CCC(=O)C=COC=O;XLEHTWNSTTYTCW-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281951;MM281951;C=CCC(=O)C=NOC=O;OAMBHWSDRZIEGX-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281952;MM281952;C=CCC=CC(=C)NC=N;XTGAEAFNOKJGJF-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281953;MM281953;C=CCC=CC(=O)NC=C;KQERAANDDVXFSS-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281954;MM281954;C=C(CCO)N(C=N)C=O;LQLFGHMZEIYFMR-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281955;MM281955;C=NNC(=O)C=CCC=O;RWLKAHJVCIDCRZ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281956;MM281956;C=C(C=CNC=N)NC=N;BSAMJXWDAUXPBM-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281957;MM281957;C=CNC(=N)C=CNC=N;GAGYNXHEMLHHLF-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281958;MM281958;C=CNC(=N)C=CNC=O;IFYSULWCLHOTRQ-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281959;MM281959;N=CNC=CC(=N)NC=O;SFIWTLVQIMKGFT-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281960;MM281960;C=CNC(=O)C=CNC=N;BDFQLCRTHNDKIH-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281961;MM281961;C=CNC(=N)C=CNN=C;IDWRCVRZJHIVNU-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281962;MM281962;C#CC1(C=C)CC1NC=O;BXSJLNLZUYXVGM-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281963;MM281963;C=COC=CC(=C)NC=N;QZFFROGOLFMXAK-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281964;MM281964;C=CNC(=N)C=COC=C;WOJGMYGVXOMGNC-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281965;MM281965;C=CNC(=N)C=COC=O;FLDXPTNTXLSXJR-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281966;MM281966;C=COC=CC(=N)NC=N;LJIJMGLGMCLCJV-UHFFFAOYSA-N;139.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281967;MM281967;C=CCc1cc(NN)no1;IPQURUIKFGQFTO-UHFFFAOYSA-N;139.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281968;MM281968;N=C(C=COC=O)NC=O;XLAOFPHJLAPAGQ-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281969;MM281969;CC1C(C)N1N=CCCO;FELDDEIDBOJFNH-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281970;MM281970;C=CNC(=N)C=NNC=N;NJPKXDKCMXCLGQ-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281971;MM281971;C=CNC(=N)C=NNC=O;KNSGKRXZBXEZMT-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281972;MM281972;C=CNC(=O)C=NNC=O;UGQYVVNBROVVEU-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281973;MM281973;C=C(C=NOC=O)NC=N;ACFLDGBHDAENOZ-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281974;MM281974;O=CNC(=O)C=NOC=O;LCOJJAPEBBYGEI-UHFFFAOYSA-N;144.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281975;MM281975;C=CCC=CC(=C)OC=C;QEAMMVGNMLMMJN-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281976;MM281976;C=COC(=C)C=CCC=O;DLXBBLKBGZMHFX-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281977;MM281977;C=COC(=C)C=CCC#N;MMOZLRBIBOANRL-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281978;MM281978;C=COC(=C)C=CNC=N;PPWJODNRFQLRDP-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281979;MM281979;C=COC(=C)C=CNC=O;CMNXONSTWAMIBQ-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281980;MM281980;C=C(C=CNC=O)OC=O;QUURNFLBSVGPFN-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281981;MM281981;C=COC(=O)C=CNC=N;RKGJOOUPBYIXMW-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281982;MM281982;C=COC=CC(=O)OC=C;HYOYBELGDOFWRV-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281983;MM281983;C=COC=CC(=O)ON=C;HMONYWJNNGFLIW-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281984;MM281984;C=COC(=C)C=NNC=O;OCERCAVYSLGYOW-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281985;MM281985;C=C(C=NNC=O)OC=O;XCMGONQXGBSNEN-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281986;MM281986;C=COC(=C)C=NOC=O;CALQMRMTTLVQHP-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281987;MM281987;C=CCC(=N)NC=NC=C;DHJDVPOVNIDHJR-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281988;MM281988;C=CCC(=O)NC=NC=C;JPKQTHBZEWZHRD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281989;MM281989;C=CN=CNC(=O)CC#N;YAYHGZBQCQFPGD-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281990;MM281990;C=CN=CNC(=N)NC=C;MNDZKBHYAQRHKE-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281991;MM281991;C=CN=CNC(=N)NC=N;NAIZWPJKMBHDFN-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281992;MM281992;C=CN=CNC(=N)NC=O;BBWVMDSQDGYVOD-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281993;MM281993;O=CCOCCCNC=O;QWLQSPBNCVFNNX-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281994;MM281994;C=CN=CNC(=O)NC=O;FJHZEDMEERSLGV-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281995;MM281995;C#CCC=CC(=C)CC=C;NNKNYDDYJATMFN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281996;MM281996;C#CCC=CC(=C)CC=O;DNAJNHIQAMPHFW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281997;MM281997;C#CCC=CC(=O)CC=C;BHBPHZXCEMBKKQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281998;MM281998;C#CCC=CC(=N)NC=C;YRCJWJPQTXPSRV-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM281999;MM281999;C#CCC=CC(=C)OC=C;HAPZZUBIRGLPGY-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282000;MM282000;C#CCC=CC(=C)OC=O;JLRKGDWDPUGPGA-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282001;MM282001;C#CCC=CC(=O)ON=C;OAIULTYHJYBZFH-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282002;MM282002;C#CCC(=C)C=CCCC;SZISYUIKYBDLQF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282003;MM282003;C#CCC(=C)C=CCCN;IWVMZWZSWLMKDF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282004;MM282004;CNN=CNOCCCO;IGRHQNDLLCPNTP-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282005;MM282005;C#CCC(=C)C=CCCF;UEYRYJBXZJNIJW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282006;MM282006;C#CCC(=O)C=CCCC;LARHZDQTJZXTBQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282007;MM282007;C#CCC(=O)C=CCCF;MOWVSAIDAMKEOE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282008;MM282008;C#CCC(=C)C=CCNC;AYTRZZOGGYUUFH-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282009;MM282009;C#CCC(=C)C=CCOC;MQMXXRKNWGLRRH-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282010;MM282010;C#CCC(=O)C=CNCC;YAACFCUFYKVXHO-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282011;MM282011;C#CCC(=C)C=COCC;PPNMTZQQSRIWEM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282012;MM282012;C#CCC(=C)C=NNCC;OGJPCWNWKSACPB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282013;MM282013;COCCNN=CCCO;JIONUNIYKXDFPE-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282014;MM282014;C#CCC(=C)C=CCC=C;DCQCZONHHPYXIT-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282015;MM282015;C#CCC(=C)C=CCC=O;ZOEAYZUBBSIZPG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282016;MM282016;C#CCC(=C)C=CCC#N;QDJIYHPYKYDGCF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282017;MM282017;C#CCC(=O)C=CCC#N;GKZNAAJPOHBJJF-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282018;MM282018;C#CCC(=C)C=CNC=N;PORVNFGHEBYKMZ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282019;MM282019;C#CCC(=C)C=CNC=O;BCUFEXYGHFQVHP-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282020;MM282020;C#CCC(=O)C=CNC=N;PVNHVWSTXKQCBK-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282021;MM282021;C#CCC(=C)C=COC=O;AYUTZVQKCALWMU-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282022;MM282022;C#CCC(=O)C=COC=C;OKCFKNYXNKZJBU-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282023;MM282023;C#CCC(=C)C=NNC=O;ZPTLRPFUCLZXIN-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282024;MM282024;C#CCC(=O)C=NNC=O;QEEZDYUHQNNMHG-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282025;MM282025;C#CCC(=C)C=NOC=O;ISEVVZCJBYRFFH-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282026;MM282026;C#CCC=CC(=C)CC#C;IOUIFTIZRZDLJC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282027;MM282027;C#CCC=CC(=O)CC#C;AOJCFYVPFWGJKZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282028;MM282028;CC=CC=CC(C)CCN;CKUKCGDICXVCHJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_C5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282029;MM282029;CCCC(N)C=CC=CF;YRFPNYKZLZPAIO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282030;MM282030;CC=CC=CC(N)CCN;PIVPXBRDTQWHIH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282031;MM282031;CC=CC=CC(N)CCF;XJSVIGYRKVXANI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282032;MM282032;NC(C=CC=CF)CCF;BKJMMTQKZJGLLL-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282033;MM282033;CCOC=NOCCCO;XCMQNPURGSPRCW-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282034;MM282034;C#CCC=NOCCCO;BCJOGEITRQWOOL-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282035;MM282035;NCCC(O)C=CC=CF;WYDGTPGJIDRNLV-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282036;MM282036;OCCC(O)C=CC=CF;HHMHSXCZNKRQBA-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282037;MM282037;CCCC(F)C=CC=CF;GFYSRSLQQFYUGY-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282038;MM282038;CCCC(C)C=CC=NN;XKXUAGSYTNZVJC-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282039;MM282039;CC(C=CC=NO)CCN;IHXSJURZVJKTJO-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282040;MM282040;CC#CCNN=CCCO;KZVBORVFUOPJJS-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282041;MM282041;CC(C=CC=NN)CCF;LGDVOHUCANUBAK-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282042;MM282042;CC(C=CC=NO)CCF;XIEZLNORZXTDFU-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282043;MM282043;CCCC(O)C=CC=NO;CGXJKLUWJAQVJD-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282044;MM282044;NCCC(O)C=CC=NO;FAJGVEARZLEQJL-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282045;MM282045;CCCC(F)C=CC=NN;UAOKRGGLXYUZGW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282046;MM282046;NN=CC=CC(F)CCF;NFWZQPLMNSPXEQ-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282047;MM282047;CC=CC=CC(C)CNC;SWXWOBKWRAMXIS-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282048;MM282048;CNCC(C)C=CC=CF;IFIPIQIQAOQNAK-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282049;MM282049;CNCC(O)C=CC=CF;AWJQSLMPLMWLNR-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282050;MM282050;CNCC(O)C=CC=NN;APTDREDVWTVKHM-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282051;MM282051;CNCC(F)C=CC=NN;PMVJHHVUWZOXBL-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282052;MM282052;CC=CC=CC(O)COC;FRVISLRPTCNFFF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282053;MM282053;CC=NN=CC(O)CCN;SFRLVPWSMZXHTG-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282054;MM282054;CC=NN=CC(O)COC;JOXVLBHDHFUSKF-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282055;MM282055;CCNC(C)C=CC=CF;GPGFWIJPIZVOSZ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282056;MM282056;CN=CN=CN(C)CCN;CEGFFGCLMRVTSA-UHFFFAOYSA-N;142.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282057;MM282057;CN(C=NC=NO)CCO;DXDYRCIIBKVAQN-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282058;MM282058;CCN=CNN=CCC=O;CWQSXZUVKXCKTG-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282059;MM282059;CON=CNN=CCC=O;JPBYAUMYWWCZRS-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282060;MM282060;NN(C=NC=NO)CCO;XEFFWTOUIFDQEL-UHFFFAOYSA-N;146.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282061;MM282061;NN(C=NC=NO)CCF;POHJHSLSQYJICM-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282062;MM282062;C=CN=CNN=CCC=O;SEJYLNNCFRZIHO-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282063;MM282063;NCCN(O)C=NC=NO;TWGCHQIWKOLISY-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282064;MM282064;O=CCC=NNC=CN=O;OOFCLTPSZAHNBQ-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282065;MM282065;CC=NN=CN(N)CCF;HJDNZBNFRDVWPW-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282066;MM282066;C=NN=CC=CCNC=O;PNVDVDDQQUUWDR-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282067;MM282067;N#CC1CN1N=CCCO;HEFIMOXFWIYWSM-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282068;MM282068;CC=NN=CN(C)OCC;YETHEGVVYXJJIM-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282069;MM282069;CC=CC=NN(C)CCN;CMDGSMNHTCOCDP-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282070;MM282070;C#CC1CN1N=CCCO;UDIJYMCVPXOHMV-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282071;MM282071;CC1OC1CNC=O;KZZVKUXLKZAWLL-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282072;MM282072;C=CCC(C)C=CC=CF;XBPYZAGWXZHDEQ-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282073;MM282073;CC=CC=CC(C)CC=O;NQPAAAXJFBLLEG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282074;MM282074;CC(C=CC=CF)CC=O;DNRHCYBEYPOJRO-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282075;MM282075;CC(C=CC=CF)CC#N;QTWNWSPOGCUYNC-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282076;MM282076;C=CCC(N)C=CC=CC;NOZNYTVRPDNTQE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282077;MM282077;NN=COCCCO;XYFGDBKQXJBQGI-UHFFFAOYSA-N;118.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282078;MM282078;CC=CC=CC(O)CC#N;ZBXLLPJCROPWNO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282079;MM282079;N#CCC(O)C=CC=CF;ZEVHBWORUMCKSM-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282080;MM282080;C=CCC(F)C=CC=CF;PEGZHTMAJJUXFY-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282081;MM282081;CC=CC=CC(F)CC#N;LDRNQTPBZVYUSG-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282082;MM282082;C=CCC(C)C=CC=NN;DBEULNSVWFFRSF-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282083;MM282083;CC(C=CC=NO)CC=O;RJAXDHDHBGFJOX-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282084;MM282084;CC(C=CC=NO)CC#N;IBUQOZIZVOJARX-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282085;MM282085;C=CC(=O)C(=C)C(N)=O;ANCPBLUIOKGULL-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282086;MM282086;O=CCC(O)C=CC=NO;PYKMXNLBUQCXAY-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282087;MM282087;C=CCC(F)C=CC=NO;HSHQKTCXBHMCNB-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282088;MM282088;C=CCC(C)C=NN=CC;XVYVZRXHIHVXBW-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282089;MM282089;CC=NN=CC(O)CC=O;GNNFUHSTJAURSX-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282090;MM282090;CC=NN=CC(O)CC#N;HSJTYVKZUXNEAN-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282091;MM282091;C=CCC(F)C=NN=CC;UBFDUQYUVPQMPZ-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282092;MM282092;CC=NN=CC(F)CC#N;CYMWRBUEEIZGDA-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282093;MM282093;CC(C=CC=CF)NC=N;MFEOTFCZVSSRNG-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282094;MM282094;CC(C=CC=NN)NC=N;RHXBPUQOZSGRHZ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282095;MM282095;CC(C=CC=NO)NC=N;CSCFUEUCPVZCKB-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282096;MM282096;C=NNC(C)C=CC=CC;NJPDYQPEEGEQTP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282097;MM282097;CC=NN=CC(C)NC=N;XGVGQBSDUGBEKN-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282098;MM282098;CC=NN=CC(C)NC=O;GSCBUSZOKKZETE-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282099;MM282099;C=NOC(C)C=CC=CC;PNSOZQKWZYCPLE-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282100;MM282100;C=NOC(C)C=NN=CC;FAPVWOBAMBGOHY-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282101;MM282101;CC(=NN)OCCCO;ZJGQOEIXROIEJW-UHFFFAOYSA-N;132.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282102;MM282102;C=CCN(C)C=NC=NO;QLNUOJGGZIUTNB-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282103;MM282103;CN(C=NC=NO)CC=O;PCLBXGTYHKJEMB-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282104;MM282104;C=CCN(C)C=NN=CC;MWHSFIPNYGRLFE-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282105;MM282105;C=NN=C1CN(C)C=N1;VPYDPDBDKKXYOP-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282106;MM282106;C#CCC1NC1C(N)=O;XXHJGJQABXSVCM-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282107;MM282107;CN(C=CC=NO)NC=O;IWYWXJBTWDYHQR-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282108;MM282108;CN(C=NC=NN)NC=N;PJYLCQPFAHQQQA-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282109;MM282109;CN(C=NC=NO)NC=N;BJBKXKSRDBXOPW-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282110;MM282110;CN(C=NC=NO)NC=O;NPFOAVQHHVMSJM-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282111;MM282111;CC=NN=CN(C)NC=N;MZBOVLBLVVGYFA-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282112;MM282112;NN=CCOCCCO;XXXPWKVKMQQBLM-UHFFFAOYSA-N;132.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282113;MM282113;CC=NN=CN(C)OC=O;FQWMFSGKZNUASR-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282114;MM282114;C=CCN(C)N=CC=NO;YCTQJEKYHSONQM-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282115;MM282115;C#CCC(C)C=CC=CF;KKJZXMUIBHUQJG-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282116;MM282116;C#CCC(N)C=CC=CC;SXPAVZKMKGRZSF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282117;MM282117;CC=NOCCNC=O;XREMDLHSXKQHDA-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282118;MM282118;C#CCC(F)C=CC=CC;HGRSSODVJFACHB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282119;MM282119;C#CCC(C)C=CC=NN;JMGFMAYSHBJYAH-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282120;MM282120;CNN=COCCCO;SHXUCZMDHIRPLR-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282121;MM282121;C#CCC(O)C=CC=NO;GJGPBEGQUUUTAT-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282122;MM282122;C#CCC(F)C=CC=NO;ZOABAOZFJNKVLR-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282123;MM282123;C#CCC(C)C=NN=CC;BMSCOMHJWHTGKH-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282124;MM282124;C#CCC(O)C=NN=CC;YLUIVVGFQUJFBM-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282125;MM282125;C#CCN(N)C=NN=CC;SRHBUXRLVAZKBN-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282126;MM282126;C#CCN(O)C=NN=CC;BYCIQDZLFRUMEA-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282127;MM282127;C#CCN(C)N=CC=CF;SYYOSNKXRZRGHT-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282128;MM282128;C=C(C=CC=CC)CCC;ZPKYQKDSWBHBGS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282129;MM282129;C=C(C=CC=CF)CCC;QTVQRYOAHBHPIA-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282130;MM282130;C=C(C=CC=CF)CCN;KBLJVXFQOZDLHI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282131;MM282131;N=CN=CN(N)CC(N)=O;DUIKNDTUWXBXLF-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282132;MM282132;CC=CC=CC(=O)CCC;VJFCZDYQYLIJLP-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282133;MM282133;CCCC(=O)C=CC=CF;LVEBRJJBXGMJTQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282134;MM282134;O=C(C=CC=CF)CCF;XKTPXPBCZYBDOH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282135;MM282135;C=C(C=CC=NN)CCC;GQUDJPBULCRTHJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282136;MM282136;C=NN=CN(N)CC(N)=O;BHCAPUOBZHVDJY-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282137;MM282137;C=C(C=CC=NO)CCN;WTCWNSINSDDLLI-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282138;MM282138;C=C(C=CC=NN)CCF;LGEUUFZINAHOCP-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282139;MM282139;CCCC(=O)C=CC=NO;PJLZZBLWGDGPTN-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282140;MM282140;C=C(C=CC=CC)CNC;RJWLVAVYCRWXIG-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282141;MM282141;C=C(C=CC=CF)CNC;KGSNPMCHJYIMMR-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282142;MM282142;CC=CC=CC(=O)CNC;XHLRXRYLEREFGH-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282143;MM282143;C=C(C=CC=CC)COC;WFZKGMWTSUMLFR-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282144;MM282144;COCC(=O)C=CC=CF;BHAAPRZSAPHLQJ-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282145;MM282145;C=C(C=CC=NN)COC;JOCDUGNFQREVJF-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282146;MM282146;C=C(C=NN=CC)CCC;STVMCDHGBAAMLR-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282147;MM282147;C=C(C=NN=CC)CCN;FSWIRCLZUQKYGQ-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282148;MM282148;CC=NN=CC(=O)CCO;JSXPYKVPWGDBCK-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282149;MM282149;CC=NN=CC(=O)COC;ZMUMILORPYTBBL-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282150;MM282150;NC(=O)C=CN=C(N)C=O;LHLNNYQZOVVHPH-UHFFFAOYSA-N;141.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282151;MM282151;CNNC(=N)C=CC=NO;KYCSSQCWOBFXKY-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282152;MM282152;C#CCN(CC(N)=O)N=C;ZUXDJVUZBZYRGP-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282153;MM282153;CNNC(=O)C=CC=NO;RBQXVKMLIUIFBR-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282154;MM282154;CONC(=N)C=CC=NN;ADLAGNNGOKPUAS-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282155;MM282155;CC=NN=CC(=N)NCC;VOTQFSWMDPUPPF-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282156;MM282156;C=C(C=CC=CC)OCC;GFQWQNCDDFRRRK-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282157;MM282157;C=C(C=CC=NN)OCC;HWOGCJSHLVSSKV-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282158;MM282158;C=C(C=CC=NO)OCC;QKVXXFJTKURUJD-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282159;MM282159;CC=NN=CC(=O)OCC;LJZKXCJTMFEWJG-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282160;MM282160;C=CCC(=C)C=CC=CC;MDDLQICECQUEGI-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282161;MM282161;C=C(C=CC=CC)CC=O;CYDDPUNQSXPLQC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282162;MM282162;C=C(C=CC=CC)CC#N;CNWABLDTWDTFKS-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282163;MM282163;C=CCC(=O)C=CC=CC;UVVAQDSGJSLSEF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282164;MM282164;C=CCC(=O)C=CC=CF;XWEBQKRDTOAOAU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282165;MM282165;C=CCC(=O)C=CC=NO;MXFKEADXQFSABR-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282166;MM282166;C=CCC(=C)C=NN=CC;MHTWYFMBFMTPGT-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282167;MM282167;CN(C)N=COCCCO;LIKIRABDXHKOPB-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282168;MM282168;CC=NN=CC(=O)CC#N;GQPFBOPZSXFHOF-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282169;MM282169;C=C(C=CC=CC)NC=N;JPJUJZVVUPFTKI-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282170;MM282170;C=C(C=CC=CC)NC=O;LYNOQLPIFLAOPD-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282171;MM282171;CC=CC=CC(=N)NC=N;CSLSTJTWHDGPPM-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282172;MM282172;C=NNC(=N)OCCCO;YDRKBMOUDVUXJK-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282173;MM282173;C=CNC(=O)C=CC=CC;RXYGIKPOMQOLLM-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282174;MM282174;C=NNC=NC(C)CCO;SGSXUXMAPFMQMW-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282175;MM282175;CC=CC=CC(=O)NC=O;PDMRAYIAESBBNZ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282176;MM282176;N=CNC(=N)C=CC=NO;KLSFHESPCJHRLQ-UHFFFAOYSA-N;140.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282177;MM282177;CNN=C(C)OCCCO;WQYDGJJRMBXSMS-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282178;MM282178;O=CNC(=O)C=CC=NO;MOJRYKIZFFMIRG-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282179;MM282179;CON=C(C)OCCCO;RNEVNWYVKLAQEE-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282180;MM282180;C#CC(C=C)C(=O)C(=N)N;XZPXAMNSYZODHI-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282181;MM282181;C=C(C=NN=CC)NC=N;GKERAEKKCGZBTF-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282182;MM282182;C=C(C=NN=CC)NC=O;MZLRSGADNQULQO-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282183;MM282183;C=CNC(=O)C=NN=CC;PSRBGVCSKALLID-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282184;MM282184;C=NNC(=O)C=NN=CC;CPYLQGVGYDEKHV-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282185;MM282185;C=COC(=C)C=CC=CC;JFERGWSPLUAWDC-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282186;MM282186;C=C(C=CC=CC)OC=O;GYACNFIDGVOPNA-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282187;MM282187;C=COC(=O)C=CC=CC;ZHIUCPNDVATEDB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282188;MM282188;C=NOC(=O)C=CC=CC;SFFAVBUQVBPVFP-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282189;MM282189;C=COC(=C)C=NN=CC;GBXSIVVBXZWLIC-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282190;MM282190;C=NOC(=O)C=NN=CC;JLRRPINAIVGQGA-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282191;MM282191;C#CCC(=C)C=CC=CC;XNWQOQQOFSMUEE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282192;MM282192;C#CCC(=O)C=CC=CF;PFCBJKGNAKWDOM-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282193;MM282193;C#CCC(=C)C=CC=NN;GYXVNSYKXRZKPM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282194;MM282194;C#CCC(=C)C=NN=CC;ZECNAXXTYGERHC-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282195;MM282195;CC#CC=CC(C)CCN;GCWYFLRRHSEQIZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282196;MM282196;N=C(N)C(=O)OCCCO;MVNUURSLTXKCRS-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282197;MM282197;CC#CC=CC(C)CCF;YMLTWLIUAGFLFF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282198;MM282198;CNC(C#N)CC(=O)CF;REVXVNNHCIVVTF-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282199;MM282199;CC#CC=CC(O)CCO;VXLYKCSQLMTBCF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282200;MM282200;CC#CC=CC(F)CCC;UTGMXWGXALPENF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282201;MM282201;CC#CC=CC(F)CCF;SWRSRTDNOPTNNN-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282202;MM282202;CC#CC=CC(C)CNC;SEOAAYMMIXWREK-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282203;MM282203;CC#CC=CC(F)CNC;PUJIQAQWSUAGOU-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282204;MM282204;CC#CC=NN(C)CCN;KSWHFURMBDZFFP-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282205;MM282205;CCC(F)=C(C)CNC=O;PPITVQINIGOHSD-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282206;MM282206;C=CCC(C)C=CC#CC;WJKUWRDFDWWNRS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282207;MM282207;CC#CC=CC(C)CC=O;ROQGXNINKULYAL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282208;MM282208;CC#CC=CC(C)CC#N;RDCTXAXTLGHDEW-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282209;MM282209;C=CCC(N)C=CC#CC;YDXZWQVBAKLFPE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282210;MM282210;CC#CC=CC(O)CC#N;HPRKELFSZWTVRU-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282211;MM282211;CC#CC=CC(F)CC#N;FQTQBMNKCCACHQ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282212;MM282212;C=NN=C(CC)CNC=O;STKBYBSZYUMZDV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282213;MM282213;C=NOC(C)C=CC#CC;AXVRBYFCHPVZOE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282214;MM282214;CC#CC=NN(C)CC#N;VGKPGQHQBNXDAO-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282215;MM282215;C#CCC(C)C=CC#CC;QQFFJEXMJLLFJA-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282216;MM282216;C#CCN(C)N=CC#CC;MPRKKHFLXFEVCP-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282217;MM282217;C=C(C=CC#CC)CCC;SSVSSAYQHYGBDO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282218;MM282218;C=C(C=CC#CC)CCN;YCMWTBLGTHFOEE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282219;MM282219;CC#CC=CC(=O)CCC;VALCBFJUSQHXRY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282220;MM282220;CC#CC=CC(=O)CCO;YCIRDFXDIMKFLC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282221;MM282221;C=C(C=CC#CC)CNC;GUWKTBISQHJXJC-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282222;MM282222;CC#CC=CC(=O)CNC;ZAHBQPRITRHWPN-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282223;MM282223;CC#CC=CC(=N)NCC;HBOUOVUSWDALMP-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282224;MM282224;COC(C=O)CCNC=O;XICAQFWIYFOIDQ-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282225;MM282225;CC#CC=CC(=O)NOC;NKDIDJWFYQQPOO-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282226;MM282226;C=CCC(=C)C=CC#CC;LTHCQGOGHLMYQY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282227;MM282227;C=C(C=CC#CC)CC#N;WTHXDQMRWLLPAO-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282228;MM282228;C=CCC(=O)C=CC#CC;POWSQJAYFQYIJU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282229;MM282229;CC#CC=CC(=O)CC#N;VQRXIJXZQGSKIZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282230;MM282230;N=CN(C=O)OCCCO;CNLCSAWPKJFJEZ-UHFFFAOYSA-N;146.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282231;MM282231;NN=C(CF)OCCCO;CVRDDPXHQZITFY-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282232;MM282232;C=NNC(=O)C=CC#CC;RRWRVFZWCAIYOQ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282233;MM282233;C=COC(=O)C=CC#CC;BIJTUKUUAVASHS-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282234;MM282234;C#CCC(=O)C=CC#CC;UGEUAIXMDXAZFP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282235;MM282235;CC=CC(C)C=CCCC;JCLVIHZNCISXCA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282236;MM282236;CC=CC(C)C=CCCN;JIJZHNVMSHVGLK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282237;MM282237;CC=CC(C)C=CCCO;HPGBOCOLSHQJGR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282238;MM282238;CC(C=CF)C=CCCN;LEDOXOVBUMFGGM-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282239;MM282239;CC(C=CF)C=CCCF;UBCXSICDBGOEMS-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282240;MM282240;CC=CC(N)C=CCCC;MGHNZBVHOREYDH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282241;MM282241;CC=CC(N)C=CCCO;DSSGBKNYQPPDPW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282242;MM282242;CC=CC(N)C=CCCF;YLSWQKBKVMSWQU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282243;MM282243;CCCC=CC(N)C=CF;IQAHPYSOXUKVKI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282244;MM282244;NC(C=CF)C=CCCO;JHOFAHBICPDNRL-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282245;MM282245;NN=C(NN)OCCCO;WWASYESNZPCANI-UHFFFAOYSA-N;148.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282246;MM282246;CC=CC(O)C=CCCN;FIQJRKYAWNLFSC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282247;MM282247;N#CC(=CN)OCCCO;NSINZFQDISWFGP-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282248;MM282248;NCCC=CC(F)C=CF;VAIULHRYCBCJFH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282249;MM282249;CC=CC(C)C=CCNC;TZBYXIJRVUOYBO-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282250;MM282250;CNCC=CC(C)C=CF;NKQJVUWTNJITQJ-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282251;MM282251;CC=CC(O)C=CCNC;RUMKVNCZZXLSJE-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282252;MM282252;CC=CC(C)C=CCOC;BVJWVCKRVAVVAK-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282253;MM282253;CC=CC(O)C=CCOC;CDFHMNDATUTHQO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282254;MM282254;CCCC=CC(C)C=NN;AXDQIXGUJBEPRC-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282255;MM282255;C=CC(=NN)OCCCO;FAOYQBJVWIJCGE-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282256;MM282256;CC(C=CCCN)C=NO;DZXNQXNRDQHYGV-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282257;MM282257;C#CC(=NN)OCCCO;UHBAAETXSAGYPT-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282258;MM282258;CNCC=CC(C)C=NN;DTYYSQPKSNHADU-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282259;MM282259;CNCC=CC(C)C=NO;VTADKDUCLYIXSD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282260;MM282260;CNCC=CC(O)C=NN;KHJVKEKUAPUANB-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282261;MM282261;COCC=CC(C)C=NN;GRPDJHZQBCYUGX-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282262;MM282262;CC=CC(C)C=COCC;VQUMRCXQPSPYIK-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282263;MM282263;CC=CC(N)C=COCC;HYMMQKKUFVRIIT-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282264;MM282264;CCOC=CC(N)C=CF;VTCBMKZMQFYMOQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282265;MM282265;CC=CC(O)C=COCC;CWPBEGBKRBFXNW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282266;MM282266;CC=CC(F)C=COCC;SZJPWVPFBNLGTR-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282267;MM282267;CC=CC(C)C=NNCC;VMKKCMWXALNUJS-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282268;MM282268;CCNN=CC(C)C=CF;UVVMWSKULNIYDE-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282269;MM282269;C=NN1CCC(=O)C(=O)C1;VDOKWQZAHWSOOD-UHFFFAOYSA-N;140.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282270;MM282270;CC=CC(C)C=NOCC;MZHZJZPTRWZKBZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282271;MM282271;CC=CC(N)C=NOCC;SEAIZABPKZAOQC-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282272;MM282272;CC=CC(F)C=NOCC;BUQJRXFQHYJKGE-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282273;MM282273;CCON=CC(C)C=NN;WKFRIKGBOHFYNX-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282274;MM282274;CCCC=CN(C)C=NC;HXKSYGBBKGGADL-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282275;MM282275;CN=CN(C)C=CCCF;IGEIYDLJHABSPN-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282276;MM282276;NN=CCCOCCCO;YNSNGTMPJSUDEL-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282277;MM282277;NN=COCOCCCO;RPLULMKFAPFSSC-UHFFFAOYSA-N;148.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282278;MM282278;OCCC=CN(O)C=NO;MLTXKEGBCSOQLY-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282279;MM282279;CNCC=CN(N)C=NN;TUWWOKKEZGJKOJ-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282280;MM282280;CNCC=CN(N)C=NO;PUSGNKYMNPLLAQ-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282281;MM282281;CN=CN(O)C=CCNC;OZVVELJKHZSMOJ-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282282;MM282282;CNCC=CN(O)C=NN;UAVMVLBFAONAQD-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282283;MM282283;CN=CN(N)C=CCOC;GUORRYOHOQSEFX-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282284;MM282284;CNN=CCOCCCO;GZCIPCFZNFIGHS-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282285;MM282285;COCC=CN(O)C=NO;ABRXZVNAWIRTHO-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282286;MM282286;CCOC=CN(C)C=NC;XIVCPLYLNGLNQI-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282287;MM282287;CON=CNOCCCO;ORSBPVDRASYMDH-UHFFFAOYSA-N;148.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282288;MM282288;CC=CN(C)C=NCCC;HCBIXTXMZWUSAF-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282289;MM282289;CC=CN(N)C=NCCF;ZUDKZRCJVJELPW-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282290;MM282290;CCON=COCCCO;IOCHEEDUVFGICS-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282291;MM282291;CCCN=CN(C)C=NC;MMNSEVYTAOQKLD-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282292;MM282292;O=CON=COCCCO;NFVPOKIVWLWLAM-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282293;MM282293;C#CC(N)=CC(N)=O;FVRAEXHXFKVQED-UHFFFAOYSA-N;110.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282294;MM282294;OCCC1(CF)CN1;UHCFIGZGSVHXKN-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282295;MM282295;NC(=O)C=C(N)C=CF;BBTRWFWLGUHKTD-UHFFFAOYSA-N;130.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282296;MM282296;CC(=CCF)CNC=O;RIVHSEPAFLMUQF-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282297;MM282297;NC(C=O)=NCCCO;XMSMPXNAYBXTQP-UHFFFAOYSA-N;130.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282298;MM282298;CC=C(F)CCNC=O;GJSMNKTWHXQXKW-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282299;MM282299;CN(C=N)N=CCC=O;VTLLEYZNMWXRFR-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282300;MM282300;CCNN=CN(O)C=NO;GEWDNXYZBMUSHZ-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282301;MM282301;CC=CN(C)C=NOCC;JUDMBYSTISKMKL-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282302;MM282302;CNC(=O)C=CCC=O;JFYWQYIIZKBYTG-UHFFFAOYSA-N;127.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282303;MM282303;CC=NN(C)C=NCCC;AERYFUYCZJGABD-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282304;MM282304;CC(NC=O)C1(C)CO1;UINQYJUGCWQSIF-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282305;MM282305;CN(C=NO)N=CCCN;PPQPQERIZUWOKF-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282306;MM282306;CN(C=NO)N=CCCO;VDMSSUYUOPBDBA-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282307;MM282307;CC1N=C(NN)OC1=O;IYKWZEXSZLQLOG-UHFFFAOYSA-N;129.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282308;MM282308;C=CCC=CC(C)C=CC;HGYMOJUOZQKEGV-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282309;MM282309;CC=CC(C)C=CCC=O;AXUZLAPULOBGPZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282310;MM282310;CC=CC(C)C=CCC#N;MNLXZQJYJXGUJF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282311;MM282311;CC(C=CF)C=CCC=O;ZINJFCGOZRVQTD-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282312;MM282312;C=CCC=CC(N)C=CF;GMUQWWDVOOPEKF-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282313;MM282313;C#CCc1nc(N)c[nH]1;LXSBOZHEPDOPSY-UHFFFAOYSA-N;121.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282314;MM282314;O=CCC=CC(F)C=CF;CMMSPFBQYFIALC-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282315;MM282315;CC(C=CCC=O)C=NO;ULOIBHCGBNUVSH-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282316;MM282316;CC=CC(C)C=CNC=N;OPWXQNREQAKDQA-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282317;MM282317;CC(C=CF)C=CNC=N;TUMQBMOZSPXMDA-UHFFFAOYSA-N;142.18;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282318;MM282318;CC=CC(N)C=CNC=N;MSJMQTNYKBBGGZ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282319;MM282319;N=CNC=CC(N)C=CF;RRNIPOCCXMYAAL-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282320;MM282320;CC=CC(O)C=CNC=O;QCFFOWKUQMOHEV-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282321;MM282321;CC(C=CNC=O)C=NO;NSXQGNPVNKDFAB-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282322;MM282322;N=CNC=CC(O)C=NN;XYPRHEVMTARJJE-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282323;MM282323;C=COC=CC(N)C=CC;GEBHSWYEGWAHIE-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282324;MM282324;C=COC=CC(O)C=CC;KZPREJZDJJBHFF-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282325;MM282325;CC=CC(C)C=NNC=O;QYQUJMKEZRBPIQ-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282326;MM282326;CC(C=CF)C=NNC=O;LEIFDDDFUQQKSW-UHFFFAOYSA-N;144.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282327;MM282327;O=CNN=CC(O)C=CF;BFXZDNUIHXCDHU-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282328;MM282328;CC=CC(F)C=NNC=O;FBIIQORFPBJBEV-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282329;MM282329;CNc1onc(N)c1N;HPZDJHIIKKWIID-UHFFFAOYSA-N;128.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282330;MM282330;CC(C=NO)C=NNC=O;QYECIHGIMZDXGS-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282331;MM282331;CC=CC(C)C=NOC=O;SUOJTSCWIBDVSK-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282332;MM282332;NC(C=CF)C=NOC=O;SAPYBUQCLHWUEA-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282333;MM282333;O=CCN1CC1CCO;DLHBUVJOHUAAAJ-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282334;MM282334;C=CC1(CNC=O)CO1;ICEPGLPLRIGTFB-UHFFFAOYSA-N;127.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282335;MM282335;C=CNC=NC(C)C=CC;YURQECBNFCNHIH-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282336;MM282336;N=CNC=CN(N)C=NN;APQHKNZEZZWDKP-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282337;MM282337;N=CNC=CN(N)C=NO;RUYBEJQDBXKWJW-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282338;MM282338;C=NNC=NCCCO;YBPHXBFPLIUNAC-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282339;MM282339;CN=CN(O)C=CNC=N;LSGAWXUOUIDWEH-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282340;MM282340;N=CNC=CN(O)C=NN;WKVXIAKLPSOGBS-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282341;MM282341;CC(NC(N)=O)C(C)(C)C;CANRFNSRGCDLCS-UHFFFAOYSA-N;144.22;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282342;MM282342;N=CNC=CN(O)C=NO;WXTKKRLQTWLXAR-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282343;MM282343;O=CNC=CN(O)C=NO;OARDPLGUNATNDG-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282344;MM282344;CN=CN(C)C=COC=O;ZYFLMGAQAXJWOZ-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282345;MM282345;COC=CC(=O)NC(C)C;YOAGBXZMPZPMFF-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282346;MM282346;C=CCN=CN(C)C=CC;YBKCVWRIGRACNJ-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282347;MM282347;C#CC(C)(C=NN)CCO;FHKZKOIRHAQFGF-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282348;MM282348;N#CCN=CN(O)C=NO;SCPIJQQYFBJXDY-UHFFFAOYSA-N;142.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282349;MM282349;C=C(C#CC(F)F)C=NN;ZZOQGFYEXWGRQF-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282350;MM282350;C=C(CF)OC=CC(N)=O;WFQRKVHYGNKHEO-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282351;MM282351;CC=CN(O)C=NNC=O;FECIJWLMJBHPLU-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282352;MM282352;O=CNN=CN(O)C=CF;ZTKFHLZVDXSVDR-UHFFFAOYSA-N;147.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282353;MM282353;CC1(C=O)CC(NC=O)C1;GVOPHCRSPXVMDK-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282354;MM282354;NN=CN(O)C=NNC=O;NNDOOLCBLRZZQQ-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282355;MM282355;CN(C=CF)C=NOC=O;BKVBNYPCPZQRJM-UHFFFAOYSA-N;146.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282356;MM282356;C#CC1(C)C(C(N)=O)N1C;DNWLNEHUSFEDTK-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282357;MM282357;C=CN=CNN(C)C=NN;ANWPNQYPHMRSKP-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282358;MM282358;C=COC=NNCC(N)=O;LIGFWCLBSPTNDA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282359;MM282359;C=COC=NN(C)C=NO;TYXAVABGXQRZQH-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282360;MM282360;CN(C=NO)N=COC=O;UCJBYESGASLERO-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282361;MM282361;C#CCC=CC(C)C=CC;PMZKZKGCSFCLRK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282362;MM282362;C#CCC=CC(N)C=CC;NEKQVDUCCSPTDS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282363;MM282363;C#CCC=CC(N)C=CF;VOZSCHMAIVFXEI-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282364;MM282364;C#CCC=CC(F)C=CF;QXSPKTGNZYRQOG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282365;MM282365;NC(=O)C=COC=CCF;VUVAGNPJZAZADT-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282366;MM282366;C=CCC(=O)CNN=CC;LWVQSDBINVTVBX-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282367;MM282367;C#CCC=CN(O)C=NO;XPGSGOVLGFSWGF-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282368;MM282368;C=C(CCO)C(=O)N(C)C;MNGAFTXTCPKETP-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282369;MM282369;C=C(C=CC)C=CCCC;VDXKEURVASKWOO-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282370;MM282370;C=C(C=CC)C=CCCN;VRLMNQKYSAEWIO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282371;MM282371;CN(C)C(CCO)C(F)F;JCRLHHDGZAZTDR-UHFFFAOYSA-N;153.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282372;MM282372;C=C(C=CC)C=CCCF;WXQFLZNRWOYZAJ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282373;MM282373;C=C(C=CF)C=CCCC;VTNHNDWPZVDOER-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282374;MM282374;C=C(C=CF)C=CCCN;HRGIUVJPLCAZII-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282375;MM282375;CC(C)=C(C(N)=O)C(C)F;QZUCHBJZHMVAMC-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282376;MM282376;CC=CC(=O)C=CCCC;NNDBKUDJHXBMLB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282377;MM282377;C=C(C=CF)C=CCNC;SVORPUDBLYGUBB-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282378;MM282378;CC=CC(=O)C=CCNC;RBTYAPFEOSTBTE-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282379;MM282379;C=C(C=CC)C=CCOC;NCAFTTKJDYYNFG-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282380;MM282380;CC=CC(=O)C=CCOC;IZEIMVNHDSIARP-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282381;MM282381;C=C(C=CCCC)C=NN;WHGKVOFVXDKGLE-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282382;MM282382;C=C(C=CCCN)C=NO;UCBHATSFFYXSAO-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282383;MM282383;C=C(C=CCCO)C=NO;QUYDOPHILAIJDU-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282384;MM282384;CNCC=CC(=O)C=NO;IMFKBCCPIJDHOY-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282385;MM282385;C=C(C=CCOC)C=NN;BCLRMGNCZIEZFE-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282386;MM282386;CC=CC(=O)C=CNCC;DJYYZFDQUXXDAM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282387;MM282387;CCNC=CC(=O)C=CN;BYFZQTLVZAPLSO-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282388;MM282388;C=C(C=CC)C=COCC;MWNXEQUOXGQVPJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282389;MM282389;CC=CC(=O)C=COCC;MTZOSUXZJVGCNF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282390;MM282390;CCOC=CC(=O)C=CN;HEQZASNHCNQYOA-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282391;MM282391;C=C(C=CC)C=NNCC;NFIPXBCPKOEQFQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282392;MM282392;C=C(C=CC)C=NOCC;CDBZYVJGHMQPNV-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282393;MM282393;C=C(C=CC)C=CCC=O;KZEMIVVMBNHXDE-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282394;MM282394;CC=CC(=O)C=CCC=O;KNJROEXBKFBBST-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282395;MM282395;CC=CC(=O)C=CCC#N;TZPFMEQAKWVRMF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282396;MM282396;C=CCC=CC(=O)C=CN;BCUJIBPTZGKFKE-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282397;MM282397;C=CCC=CC(=O)C=CF;LPSRUBLRUIUIIY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282398;MM282398;C=CCC=CC(=O)C=NO;RFGVJEXNNQTKRN-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282399;MM282399;N#CCC=CC(=O)C=NO;GFLBTXMOKVXLFY-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282400;MM282400;C=C(C=CC)C=CNC=N;IAWBGWBQZSTLOI-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282401;MM282401;C=C(C=CC)C=CNC=O;DFGFEZYAUBUEAT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282402;MM282402;C=C(C=CF)C=CNC=N;FOBYRFABMRIAFF-UHFFFAOYSA-N;140.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282403;MM282403;CC=CC(=O)C=CN=CN;KRMKYMOLPWEDQC-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282404;MM282404;N=CNC=CC(=O)C=CF;RSIGHJQZSGKSNG-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282405;MM282405;Cc1cn(N)c(N)nc1=O;UPEUQMGRJSWKPH-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282406;MM282406;C#CC1(CC)NC1C(N)=O;CUNDUUUIBROBLO-UHFFFAOYSA-N;138.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282407;MM282407;C=C(C=CNC=N)C=NN;GTGNSIFGKKFFHB-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282408;MM282408;C=COC=CC(=C)C=CC;HENWINCVDVRMAW-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282409;MM282409;C=C(C=CC)C=COC=O;FEMWMSLHGUFUOR-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282410;MM282410;C=COC=CC(=O)C=CC;YXGIYNSFSCYLIB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282411;MM282411;CC=CC(=O)C=COC=O;BDIJUZJOQQCDNJ-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282412;MM282412;C=COC=CC(=O)C=CN;AJVNMPMMLURODE-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282413;MM282413;O=COC=CC(=O)C=CF;IGTHCRXEDYLFQT-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282414;MM282414;C=COC=CC(=C)C=NN;HYRGQNIUIKIPCC-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282415;MM282415;C=C(C=CC)C=NNC=O;QWPXNSJEBDEFCJ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282416;MM282416;C=C(C=CF)C=NNC=O;GTHFJSSSIWDRCS-UHFFFAOYSA-N;142.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282417;MM282417;CC(CNC=O)OC=NN;TWDAHIOUFVCDRX-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282418;MM282418;C=C(C=CC)C=NOC=O;HXFKXBUACVJHAB-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282419;MM282419;CC1C(C)C1(F)CNC=O;WXCXDRJOKACENY-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282420;MM282420;C=CN=CNC(=O)C=NN;RWVVYTDGQVOCHF-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282421;MM282421;C=CN=CNC(=O)C=NO;GEBGQNVMGJNAOM-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282422;MM282422;C#CCC=CC(=O)C=CC;AXHCHYDRSQUGQD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282423;MM282423;C#CCC=CC(=C)C=NN;OBEIIYMKDFGQKY-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282424;MM282424;CC=CC=CC(C)C=CC;KDNYEGLMVCOJRV-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282425;MM282425;CC(C=CF)C=CC=CF;SUAGTINMAVUGNP-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282426;MM282426;CC=CC=CC(N)C=CC;FYXQZZOREKPDRU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282427;MM282427;CC=CC(N)C=CC=CF;JYBPXRUJEVEYEL-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282428;MM282428;CC=CC=CC(N)C=CF;HKWYSTJVAJVPAM-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282429;MM282429;C=CC(=O)NCC=COC;KGSGRDMVEZDSPM-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282430;MM282430;CC=CC(C)C=CC=NN;BCZXZWIWCBAFQK-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282431;MM282431;CC(C=CF)C=CC=NN;BZBWQBQULHQZLM-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282432;MM282432;C#CC=C(CC)C(=O)NC;PBTBXQXYYLHUTK-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282433;MM282433;CC=CC(O)C=CC=NO;QBSBPGYHSXEZPG-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282434;MM282434;CC=CC(C)C=NN=CC;CHLUVPFWSFSFNK-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282435;MM282435;CC=NN=CC(C)C=NN;PNVBTQRUBLCTFN-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282436;MM282436;CC=NN=CC(C)C=NO;WKBRYCBDJUPSEV-UHFFFAOYSA-N;141.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282437;MM282437;CC=CC=CN(C)C=NC;FTYVXOUCFCCATN-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282438;MM282438;CN=CN(C)C=CC=CF;ZENLKEIUQLOHBD-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282439;MM282439;C=CC(CCC=O)NC=O;CTGRWPJFQOLAAX-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282440;MM282440;CN=CN(N)C=CC=NN;CXCBGHFMEKRQQN-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282441;MM282441;NC=C(NC=NN)C(N)=O;QRSGYNPIBLCCIG-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282442;MM282442;C#CC1(CNC=O)NC1C;JLGQHKRLETZJCL-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282443;MM282443;C=CC1(C#N)NC1CC=O;CCOYASGWKUJQQF-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282444;MM282444;N=C(N)n1nnncc1=O;PFTTZHOWDIRMRX-UHFFFAOYSA-N;140.11;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282445;MM282445;CC=CN(O)C=NC=NO;HSRPQBISQLDVJY-UHFFFAOYSA-N;143.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282446;MM282446;CN1CC1CCO;XTOPKEJRPCFJOZ-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282447;MM282447;CN(C=NO)C=NC=NO;UCWALCVGHAXKQV-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282448;MM282448;CNC(=O)CN1CC1;SKUNVZRTJDWFSL-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282449;MM282449;OCCC1NC1CF;MUXSZORBCZFURZ-UHFFFAOYSA-N;119.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282450;MM282450;O=CC1NC1CCO;YMNQCMPLEZATAD-UHFFFAOYSA-N;115.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282451;MM282451;CC=CN(C)C=NN=CC;YMIWBYRBXPMILS-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282452;MM282452;CC=CN(N)C=NN=CC;IEOKWBHYDUJFND-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282453;MM282453;N#CC1NC1CCO;JKZROLXXXVBUDW-UHFFFAOYSA-N;112.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282454;MM282454;C=NN1CC1CCO;LBBYHYONWFXAHA-UHFFFAOYSA-N;114.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282455;MM282455;C#CC1NC1CCO;KJZXNFUOHQXHRG-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282456;MM282456;CC=NN(C)C=NC=NC;DYUATHSYDUQITH-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282457;MM282457;CC=NN=CN(C)N=CC;PTTOAIKPSZRQKS-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282458;MM282458;CN=CN(C)NC=CC=N;CUDFPKOGPIJXEV-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282459;MM282459;CC(F)=CCCNC=O;RQSDDQHIPMVGSS-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282460;MM282460;CN(C=NO)N=CC=CF;XACPZCXIQAQKDX-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282461;MM282461;C=C(CCF)CNC=O;DXIZGTPFIRSQNW-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282462;MM282462;CN(C=NN)N=CC=NO;GXHQTGUOBPUKMS-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282463;MM282463;C=NN=CC(=C)CCO;FATOSHFYGSWXSD-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282464;MM282464;C=C(C=CC)C=CC=CC;MQOCIPGDXOBOPY-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282465;MM282465;C=C(C=CC)C=CC=CF;JOEXRIXRGSKGGG-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282466;MM282466;CC=CC=CC(=O)C=CC;KCDQKZLJXZGKAX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282467;MM282467;CC=CC(=O)C=CC=CF;WPMJVKGYKHVXIC-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282468;MM282468;CC=CC=CC(=O)C=CN;JQKNFBJCZNGARB-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282469;MM282469;NC=CC(=O)C=CC=CF;ZKOUUVPHJPFUAQ-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282470;MM282470;CC=CC=CC(=O)C=CF;ILYWICOEAITAOU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282471;MM282471;C=C(C=CC)C=CC=NN;SUXFJGYCVZPJCL-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282472;MM282472;CC(=CF)CCNC=O;BAZUMPWHJUTNHU-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282473;MM282473;C=C(C=CF)C=CC=NN;TXMAKVJQQVFZSH-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282474;MM282474;CC=CC(=O)C=CC=NO;LOKHDZOJSYEVGF-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282475;MM282475;O=C(C=CF)C=CC=NO;OWWGMWSECCEVNZ-UHFFFAOYSA-N;143.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282476;MM282476;C=C(C=CC=CC)C=NN;CKCTVOJYBDEJRF-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282477;MM282477;C=C(C=CC)C=NN=CC;MCFNNKHEFZPNOF-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282478;MM282478;CC=NN=CC(=O)C=CN;KGLCVWROVFBAMJ-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282479;MM282479;C=C(C=NN)C=NN=CC;RCPJAVPVJIJKHR-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282480;MM282480;CC#CC=CC(C)C=CC;QLQOWRPEGXMCRL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282481;MM282481;CC#CC=CC(N)C=CC;VJODSIBYAMWSDI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282482;MM282482;CC#CC=CC(O)C=CC;TVOWAABVHRRRJH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282483;MM282483;CC#CC=CC(C)C=NN;VFFAWGVWEZGJNH-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282484;MM282484;CC#CC=CN(C)C=NC;FOLCMFZIZIWIKZ-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282485;MM282485;CC#CC=CN(O)C=NO;KGGINVMDCNEBNQ-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282486;MM282486;CC(CCO)N(C)C=O;QRIAFQUIAQZEGY-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282487;MM282487;C=C(C=CC)C=CC#CC;YLKOYAQYUCQKHL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282488;MM282488;CC#CC=CC(=O)C=CC;UWMNRLQHWZWNKP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282489;MM282489;CC#CC=CC(=O)C=CN;WXQZTSYSGUANMI-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282490;MM282490;CC#CC=CC(=O)C=NO;RHXNDQDFRNBHPM-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282491;MM282491;CC#CC(C)C=CCCC;DFNWZAFODXLWCE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282492;MM282492;CC#CC(C)C=CCCN;YVEWMAOWHFBEDG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282493;MM282493;CC#CC(C)C=CCCO;UXAKDLZTAHCOTM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282494;MM282494;CC#CC(C)C=CCCF;BXHXIAUXUXIQJN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282495;MM282495;CC#CC(N)C=CCCC;PJCSOCGYHUBBII-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282496;MM282496;CC#CC(N)C=CCCF;HANGMUDPXISNFC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282497;MM282497;CC#CC(O)C=CCCC;BEGLVORIVRJGQQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282498;MM282498;CC#CC(O)C=CCCN;NNYNXRSDOXYQBT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282499;MM282499;CC#CC(O)C=CCCO;GDMHCLAJTYILIP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282500;MM282500;CC#CC(F)C=CCCC;XXFUMKGAHHZGDB-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282501;MM282501;CC#CC(C)C=CCNC;QIGBWSAVYHCTOG-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282502;MM282502;CC#CC(O)C=CCNC;DOCWJGSBQDIOAB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282503;MM282503;CC#CC(C)C=CCOC;JDRJGAXBHDOTCS-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282504;MM282504;CC#CC(N)C=CCOC;GWAIGXZHGQWFCQ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282505;MM282505;CC#CC(O)C=CCOC;AQDXHCYTVDXNDS-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282506;MM282506;CC#CC(F)C=CCOC;GUJJAGNQIILDMR-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282507;MM282507;CC#CC(C)C=COCC;SJISHVCNTNMXKK-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282508;MM282508;CC#CC(N)C=COCC;OURMAPVSLPMIHK-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282509;MM282509;CC#CC(O)C=COCC;ASUIGLUNOXMDSC-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282510;MM282510;CC#CC(C)C=NNCC;JLCMSQPWIPGATR-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282511;MM282511;CC#CC(C)C=NOCC;YNUNNIWRFNEZME-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282512;MM282512;CC1(CF)NC1CCO;BWXCFIYQVJBDIF-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282513;MM282513;CC1(C=O)NC1CCO;QANXGNAEHLUTSF-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282514;MM282514;C=CCC=CC(C)C#CC;SYEZDUYDPRCMDZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282515;MM282515;CC#CC(C)C=CCC=O;WYRMLSHUQDTISD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282516;MM282516;CC#CC(C)C=CCC#N;YRWZSKFTCFSUHZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282517;MM282517;C=CCC=CC(N)C#CC;MDVGANIPMUOAIH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282518;MM282518;CC#CC(O)C=CCC#N;RQZKNIOMAOSXCE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282519;MM282519;CC#CC(F)C=CCC=O;HXQGIYHNEGCFGG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282520;MM282520;CC#CC(C)C=CNC=N;HMZXKKVSESYBRJ-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282521;MM282521;CC#CC(C)C=CNC=O;CIXWOYMUWRUGHL-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282522;MM282522;CC#CC(O)C=CNC=N;RZZOZXIHFRQUOF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282523;MM282523;CC#CC(F)C=CNC=N;VPQBUSSZUNCNJO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282524;MM282524;CC#CC(F)C=CNC=O;DTCPHMYLDMBNLM-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282525;MM282525;C=COC=CC(C)C#CC;FWFULSSWKGGHKW-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282526;MM282526;CC#CC(C)C=COC=O;IKNVTLBDIYFZMO-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282527;MM282527;C=COC=CC(N)C#CC;WWHVPWNQFGZSNH-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282528;MM282528;CC#CC(C)C=NNC=O;LVFFVHJHUARFMI-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282529;MM282529;CC#CC(F)C=NNC=O;AXVHRSXIGNXHBG-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282530;MM282530;CC#CC(C)C=NOC=O;NXJVNIKEPHIHPY-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282531;MM282531;CC1(C#N)NC1CCO;SNESIKHFGWBDPX-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282532;MM282532;C=CNC=NC(C)C#CC;OGEFBYLKURSNRY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282533;MM282533;C#CCC=CC(C)C#CC;BSRLKXAEAGETOP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282534;MM282534;C#CCC=CC(N)C#CC;YHXOYXMITFWALK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282535;MM282535;C#CCC=CC(O)C#CC;RMBSSFTXYUNIBE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282536;MM282536;C=C(C#CC)C=CCCC;HFKHGSIKHLWRDX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282537;MM282537;C=C(C#CC)C=CCCN;UUIMVOGQFDEBCB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282538;MM282538;C=C(C#CC)C=CCCF;GCZMVFCGWGGNHY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282539;MM282539;CC#CC(=O)C=CCCC;GNQVYOKBYRFSNX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282540;MM282540;C#CC1(C)NC1CCO;ZFTNXWZPRLIUHD-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282541;MM282541;CC#CC(=O)C=CCCF;YEWORSLZBIAYCP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282542;MM282542;CC#CC(=O)C=CCNC;CSQLOOKTLXSBIM-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282543;MM282543;C=C(C#CC)C=CCOC;DXPNXZCXLJRBMA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282544;MM282544;CC#CC(=O)C=CNCC;YALHPLBGRKBXJL-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282545;MM282545;C=C(C#CC)C=COCC;VRKWTMWWRQNRCZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282546;MM282546;C=C(C#CC)C=NNCC;IKJPZNUQCSKYEO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282547;MM282547;CCCC(=NN)C(N)=O;JHKHBZRMWCKWIW-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282548;MM282548;C=CCC=CC(=C)C#CC;UUAJDQUHFNWLRA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282549;MM282549;C=C(C#CC)C=CCC=O;HVNSDVXVQTZEHX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282550;MM282550;C=C(C#CC)C=CCC#N;WSOOKBZXRMIHCK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282551;MM282551;C=CCC=CC(=O)C#CC;JHVPRZXZBYOGEY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282552;MM282552;C=C(C#CC)C=CNC=N;VSQJQLPRVDYRPZ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282553;MM282553;C=C(C#CC)C=CNC=O;STVCRMIOSNSOEI-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282554;MM282554;C=COC=CC(=C)C#CC;CQZRPCYKIKONQE-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282555;MM282555;C=C(C#CC)C=NNC=O;HNGNUMXHHHLNIH-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282556;MM282556;CC#CC(=O)C=NNC=O;RXKAINONDHOKQK-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282557;MM282557;C=C(C#CC)C=NOC=O;HFXYNHZKKPXVMD-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282558;MM282558;CC#CC(=O)C=NOC=O;VVGQOCIIITXEEK-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282559;MM282559;C=CN=CNC(=O)C#CC;LIIQGKMHIYHCCS-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282560;MM282560;C#CCC=CC(=C)C#CC;VRTMGZDRVAQKPR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282561;MM282561;CC#CC(C)C=CC=CC;AVWDIYHHDUXMRG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282562;MM282562;CC#CC(C)C=CC=CF;OYJCQCZLWRSCQX-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282563;MM282563;CC#CC(N)C=CC=CC;HVQOKLBEEGPIJZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282564;MM282564;CC#CC(N)C=CC=CF;VNOYCGYEPUQAPM-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282565;MM282565;CC#CC(O)C=CC=CC;UZDPUBQSSKSNCI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282566;MM282566;CC#CC(C)C=CC=NN;XDGDJVKLXAHHJN-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282567;MM282567;CC#CC(C)C=CC=NO;PBANXQOZQFAJHB-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282568;MM282568;CC#CC(C)C=NN=CC;JTXBBYLIXGAGMP-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282569;MM282569;CC#CC(O)C=NN=CC;CAGPYWFPKTYXTG-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282570;MM282570;CC#CC(F)C=NN=CC;IYSCQYCOZLVDHT-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282571;MM282571;C=C(C#CC)C=CC=CC;RCDAIBQEOMTQFA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282572;MM282572;C=C(C#CC)C=CC=CF;QJGOVXZWTHXQJD-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282573;MM282573;CC#CC(=O)C=CC=CC;VGBXOUKKYAGMHP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282574;MM282574;CC#CC(=O)C=CC=CF;OWFQLFAUBCTFFB-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282575;MM282575;C=C(C#CC)C=CC=NN;LGSJBOJXCAAZJM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282576;MM282576;C=C(C#CC)C=CC=NO;ULABCOINNSGCBM-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282577;MM282577;CC#CC(=O)C=NN=CC;RFFUGKOAXQAWEP-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282578;MM282578;CC#CC=CC(C)C#CC;BWCWGPSTRITHPV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282579;MM282579;CC#CC=CC(=O)C#CC;JCPUNTRIWKFIDL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282580;MM282580;CCCC#CC(C)CCC;KRYQBGIZPGHWHF-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282581;MM282581;CCCC(C)C#CCCF;KASIAHRDNLFDLK-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282582;MM282582;CCCC#CC(N)CCC;PTEBVJIGYKGPRG-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282583;MM282583;CCCC(N)C#CCCO;ABPRPGRYEQSYRR-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282584;MM282584;CCCC(N)C#CCCF;FYAGWXBTRZATFH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282585;MM282585;CCCC#CC(N)CCN;ATAKKOCNEOYKKS-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282586;MM282586;NCCC(N)C#CCCO;MTBZEKNIWRIMEJ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282587;MM282587;NC(C#CCCF)CCO;DEVYMFMLEXZLQU-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282588;MM282588;CCCC#CC(N)CCF;ODBHZZYBCCLDRA-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282589;MM282589;CCCC#CC(O)CCC;KPRSFXSPHCXROC-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282590;MM282590;CCCC(O)C#CCCN;YRZQVCGWJNWXEP-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282591;MM282591;CCCC(O)C#CCCO;DLOHQSMJNGJUAV-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282592;MM282592;CCCC#CC(O)CCN;MWYHJRDSNFDGKM-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282593;MM282593;NCCC(O)C#CCCF;ZXBBOCXEDBQLMX-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282594;MM282594;CCCC#CC(O)CCO;JZBGXWVGRWFIOC-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282595;MM282595;OCCC#CC(O)CCF;BDNRGUGIBZXSRY-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282596;MM282596;CCCC(F)C#CCCN;HXTKOGXIAJRATD-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282597;MM282597;NCCC#CC(F)CCF;KHWUGIOCGXJDBW-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282598;MM282598;OCCC#CC(F)CCF;YHOSNLIWLATWKV-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282599;MM282599;CNCC#CC(N)CCO;AEQLDUNEKMDLIY-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282600;MM282600;CNCC#CC(O)CCO;WQLAVFFODPUQMN-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282601;MM282601;CCCC(F)C#CCNC;TVVDZOQMFLLWLP-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282602;MM282602;CN1C(=N)CC(=O)C1=O;NXQRBUZUHGFYCD-UHFFFAOYSA-N;126.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282603;MM282603;COCC#CC(O)CCN;ZBORATZGVLGJOK-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282604;MM282604;COCC#CC(O)CCF;FGARPDKKXGNGQO-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282605;MM282605;CCCC#CC(C)CNC;TXLCIHDLDMWYMA-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282606;MM282606;CCCC#CC(N)CNC;DQNRZLGDBFHQID-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282607;MM282607;CNCC(N)C#CCCN;FXKRANQVPHLORD-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282608;MM282608;CNCC(N)C#CCCO;UPKKJADDHQUGJL-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282609;MM282609;CCCC#CC(O)CNC;KXZLFDURDDHYLP-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282610;MM282610;CNCC(O)C#CCCO;HROQWZXCHQRCTI-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282611;MM282611;CNCC(O)C#CCCF;HPPVLZHQFNPTCX-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282612;MM282612;CNCC#CC(O)CNC;ODTQPWBHQUNMGV-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282613;MM282613;COCC(C)C#CCCN;QUTWTPLMVGWPOL-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282614;MM282614;COCC(C)C#CCCO;ALMQBTDHIYIRTM-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282615;MM282615;COCC(N)C#CCCF;CLWIMYGHSTWKDT-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282616;MM282616;CCCC#CC(O)COC;DUXQWDJBQHUWGW-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282617;MM282617;COCC(O)C#CCCN;MPZBLFIQRVQERI-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282618;MM282618;COCC(O)C#CCCO;UIDLYJKPQCMJMK-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282619;MM282619;COCC(O)C#CCCF;LHEJOQSZGKOUGV-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282620;MM282620;CCCC#CC(F)COC;FRBGUSGLPITVSF-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282621;MM282621;CNCC#CC(N)COC;PBVHNTQABUIXGU-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282622;MM282622;CCNC(C)C#CCCN;QVKMPNZWWWKSOB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282623;MM282623;CCNC(C)C#CCOC;ZHUBADJYNQKRIZ-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282624;MM282624;CCCC#CC(C)OCC;MEPRHVILMJKGFF-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282625;MM282625;CCOC(C)C#CCNC;QYSXQFSLLIOFQF-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282626;MM282626;CCOC(C)C#CCOC;QRYKWXKGIVAYGI-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282627;MM282627;C=CCC#CC(C)CCC;ROKNLDRMCLBUJP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282628;MM282628;CCCC(C)C#CCC=O;AXKFJECSFHONOD-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282629;MM282629;CCCC(C)C#CCC#N;BVYRIKWZMJGZHY-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282630;MM282630;CC(C#CCC#N)CCO;SIXHGLRCKIBMIF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282631;MM282631;CC(C#CCC=O)CCF;CAHCZZQIAYPZEA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282632;MM282632;C=CCC#CC(N)CCF;HZSWFEKNFCTCTP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282633;MM282633;CCCC(O)C#CCC#N;SNLGLICMABMWJC-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282634;MM282634;N#CCC#CC(O)CCO;ASYQSBYKBICVCG-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282635;MM282635;CCCC(F)C#CCC#N;KGCJLXFHWBHZBB-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282636;MM282636;C=CCC#CC(F)CCN;NGUUQVOZKCFMOA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282637;MM282637;N#CCC#CC(F)CCF;PVGJADOWBPXBKS-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282638;MM282638;CNCC(C)C#CCC#N;ZBVAJAASOQQWHS-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282639;MM282639;C=CCC#CC(O)CNC;VADGGZIIOBFJFJ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282640;MM282640;CNCC(O)C#CCC#N;HFKURTKFONPGDU-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282641;MM282641;COCC(C)C#CCC=O;KNRIAIQFXURMLI-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282642;MM282642;COCC(C)C#CCC#N;JYOPFIJHOWHLNA-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282643;MM282643;C=CCC#CC(N)COC;YXTJSOWPGYRJSQ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282644;MM282644;C=CCC#CC(O)COC;GATKSFWFOLURAJ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282645;MM282645;C=CCC#CC(F)COC;SXTCTNDNIYJFSA-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282646;MM282646;CCNC(C)C#CCC#N;RTZYYFDVWIUURH-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282647;MM282647;C=CCC#CC(C)OCC;CCBKNNCUCMEDOI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282648;MM282648;CCOC(C)C#CCC=O;ZRRIWNYZGJEYKU-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282649;MM282649;CCOC(C)C#CCC#N;LKVLTZGWVSYGIR-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282650;MM282650;C#CCC#CC(C)CCC;BVPQIKGMIWKLSC-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282651;MM282651;C#CCC#CC(N)CCC;CQYBMZKBDVRASC-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282652;MM282652;C#CCC#CC(F)CCN;LEJXDVDBXVBVDP-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282653;MM282653;C#CCC#CC(C)COC;SJLXXFBAQOAUNK-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282654;MM282654;C#CCC#CC(F)COC;QCNSBNGFNTYUAZ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282655;MM282655;C#CCC#CC(C)OCC;SLWYWIYRSUFNOQ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282656;MM282656;C=CCC(C)C#CCCC;GZKXDXUBDHRRGC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282657;MM282657;C=CCC(C)C#CCCN;QZMPZHYHIRHVAE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282658;MM282658;C=CCC(C)C#CCCO;QILCQDSWYLPWSJ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282659;MM282659;C=CCC(C)C#CCCF;SGLBQZCWUPFNKH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282660;MM282660;CCCC#CC(C)CC#N;PZHNMJJJKIMECD-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282661;MM282661;CC(C#CCCO)CC#N;LFFQZOMMOZROGP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282662;MM282662;C=CCC(N)C#CCCC;RFLFCZUWDMDPFK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282663;MM282663;C=CCC(N)C#CCCF;SEIUWHJXHJRODE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282664;MM282664;CCCC#CC(O)CC#N;KLAXAAZFSLIRHA-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282665;MM282665;C=CCC(F)C#CCCC;VFYNPFKKKURFFY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282666;MM282666;C=CCC(F)C#CCCO;ZBUICJACYPMWSM-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282667;MM282667;CCCC#CC(F)CC#N;GUWUNTFSCGIZGK-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282668;MM282668;C=CCC(C)C#CCNC;URBWKTAECPZBOF-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282669;MM282669;CNCC#CC(C)CC=O;FHQZYOGCFZWJFP-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282670;MM282670;C=CCC(O)C#CCNC;RSRJRHPTPGCRLQ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282671;MM282671;CNCC#CC(O)CC#N;UBOWMKFFOVPAPD-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282672;MM282672;C=CCC(C)C#CCOC;PWXFUVPHPWODBN-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282673;MM282673;COCC#CC(C)CC#N;UGRVHOZYIVWSFS-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282674;MM282674;C=CCC(O)C#CCOC;MHFVIXSCBMGLMC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282675;MM282675;COCC#CC(F)CC#N;LXPIIRGAMWOLOE-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282676;MM282676;CC(C#CCCN)NC=N;IHKLBGMBZBLQQS-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282677;MM282677;CC(C#CCCO)NC=O;OZIVBNOPTFATCN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282678;MM282678;CC(C#CCCF)NC=O;IJPPEYOGSBHCQM-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282679;MM282679;CNCC#CC(C)NC=O;MTNICRUFJFSEMZ-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282680;MM282680;OCCC1CN1CCF;HECMJDIWJJRUOB-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282681;MM282681;N#CCC1NC1CCO;VIVHUJOUFURKSE-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282682;MM282682;C=CCN1CC1CCO;ZUYGXWHNQFYRBQ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282683;MM282683;C=COC(C)C#CCCC;MEXAOAOMJINONR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282684;MM282684;C=COC(C)C#CCCF;KUPHZXUWSHNCGP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282685;MM282685;C=COC(C)C#CCNC;VCDIDSAFSAQKAE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282686;MM282686;C=COC(C)C#CCOC;SVVDDJGBNCONJB-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282687;MM282687;COCC#CC(C)OC=O;UCJLHUHBPVVNOV-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282688;MM282688;N#CCN1CC1CCO;ODJVFDZEYZUGOI-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282689;MM282689;C=NOC(C)C#CCOC;RNLUBBJMRJKKMG-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282690;MM282690;C=CCC(C)C#CCC=O;YRSPXPKLDPLPFO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282691;MM282691;C=CCC(C)C#CCC#N;UPNQDJMFNYEBNC-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282692;MM282692;C=CCC#CC(C)CC#N;ABJWUVKUEFUDIO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282693;MM282693;CC(C#CCC=O)CC#N;PNWBFNQYEQRBAL-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282694;MM282694;CC(C#CCC#N)CC=O;JHHVOYDMYGSMJB-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282695;MM282695;C=CCC#CC(N)CC=C;PICNTLYSULYALB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282696;MM282696;C=CCC#CC(O)CC=C;CJTIUVFRKKFRKT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282697;MM282697;C=CCC#CC(O)CC=O;GTAQLNBRDXWQEY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282698;MM282698;C=CCC#CC(O)CC#N;ZSKJIBHFPATQIG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282699;MM282699;N#CCC#CC(O)CC=O;FCYAFHQMQYPICR-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282700;MM282700;C=CCC#CC(F)CC=C;ABNMXGZCCIDKFM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282701;MM282701;C=CCC(F)C#CCC=O;YFJYGIWVIXRXGT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282702;MM282702;C=CCC(F)C#CCC#N;BRKQHNLCXODNFZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282703;MM282703;C=CCC#CC(F)CC=O;CTEUDTMLCNLZTF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282704;MM282704;C=CCC#CC(F)CC#N;RFYLWWVTYHHWDC-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282705;MM282705;N#CCC(F)C#CCC=O;KKNMXGMPIPEFFU-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282706;MM282706;N#CCC#CC(F)CC=O;IWWDPMILUSNMCV-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282707;MM282707;C=CCC#CC(C)NC=N;URNBZVOELZCRSZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282708;MM282708;C=CCC#CC(C)NC=O;RINRDZHEIHRCJI-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282709;MM282709;C#CCN1CC1CCO;BFTBIEYMJIKOIG-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282710;MM282710;NN=CC1NC1CCO;VPNFQAXDLQJJNO-UHFFFAOYSA-N;129.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282711;MM282711;C=CCC#CC(C)OC=C;ZLJUYFNSYBHVBO-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282712;MM282712;C=COC(C)C#CCC=O;UIVLUFYHGIZYJW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282713;MM282713;C=COC(C)C#CCC#N;YMHBXZNPRGHWFW-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282714;MM282714;C=CCC#CC(C)OC=O;GTRIJNFWZOUZNC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282715;MM282715;CC(C#CCC#N)OC=O;GMCRFJYSHPDNCQ-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282716;MM282716;CC=NN1CC1CCO;GWXRRDDEZKLKRY-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282717;MM282717;CC#CC1NC1CCO;XUHTVBNHKLSBBR-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282718;MM282718;C#CCC#CC(C)CC=C;BAIRTOYDDXTMBM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282719;MM282719;C#CCC#CC(C)CC#N;YUXPSPMHZXQCTH-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282720;MM282720;C#CCC#CC(N)CC=C;ZZKZWWLBXLDIES-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282721;MM282721;C#CCC#CC(O)CC=C;NYUGNKDDCPKCIE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282722;MM282722;C#CCC#CC(F)CC#N;OVXLIFRJGXFNPY-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282723;MM282723;CC(NC=O)C1OC1C;PAPDECUGELLQGA-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282724;MM282724;C#CCC#CC(C)OC=C;DIGIEOCULSCGIQ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282725;MM282725;C#CCC#CC(C)OC=O;VXGGUZLQVIWLAL-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282726;MM282726;C#CCC#CC(C)ON=C;VTAMBSCJNKIMHS-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282727;MM282727;C#CCC(C)C#CCCC;WSCCCKGENBCGJC-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282728;MM282728;C#CCC(C)C#CCCN;QJPMCZZJFWMGPO-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282729;MM282729;C#CCC(C)C#CCCF;WVEMGEZEPHJMKJ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282730;MM282730;C#CCC(N)C#CCCC;AWKJLIQGZGGGPH-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282731;MM282731;C#CCC(N)C#CCCF;UJKSXAOZKSHYHR-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282732;MM282732;C#CCC(O)C#CCCO;JNQZMASIYDFDPO-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282733;MM282733;C#CCC(O)C#CCCF;MCMIPHPJHXCNCB-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282734;MM282734;C#CCC(F)C#CCCC;NSQLKYXFMGLDPI-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282735;MM282735;C#CCC(C)C#CCNC;XBKGZJZEUOGGEY-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282736;MM282736;C#CCC(C)C#CCOC;GCAINDBEQNSBEV-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282737;MM282737;C#CCC(O)C#CCOC;XOFNCBDHMNQULX-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282738;MM282738;C#CCC(C)C#CCC=C;GUXNCGSKGUFQOC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282739;MM282739;C#CCC(C)C#CCC=O;QUUKFLOGRKLQRE-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282740;MM282740;C#CCC(C)C#CCC#N;QMWKYQKVFFAFMG-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282741;MM282741;C#CCC(N)C#CCC=C;SYGRVAPZSWIHGI-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282742;MM282742;C#CCC(O)C#CCC=C;WEGWULWVFPYGMZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282743;MM282743;C#CCC(O)C#CCC#N;NUKYGAUTNVEWNZ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282744;MM282744;C#CCC(F)C#CCC=O;CXWIPKWXTUYEAQ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282745;MM282745;C#CCC(F)C#CCC#N;UKNZDYBREKKAPA-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282746;MM282746;C#CCC#CC(C)CC#C;ULDZWPSWLXAYTJ-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282747;MM282747;C#CCC#CC(N)CC#C;CVULSZKLYZHLKW-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282748;MM282748;C#CCC#CC(O)CC#C;AAAPVRPIYMWGAC-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282749;MM282749;C#CCC#CC(F)CC#C;JJKRFTNEMDVRFA-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282750;MM282750;C=C(C#CCCC)CCC;YSAGFTFQEGXAHT-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282751;MM282751;C=C(C#CCCN)CCC;PINILBDISBFTSM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282752;MM282752;C=C(C#CCCO)CCC;GWIONIODKUTLAL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282753;MM282753;C=C(C#CCCF)CCC;GGEJZYGDXBZJML-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282754;MM282754;C=C(C#CCCC)CCN;QRXORASAKVPMAA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282755;MM282755;C=C(C#CCCF)CCN;KVSIJJCOTBFQKC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282756;MM282756;C=C(C#CCCC)CCO;LBQQKDMUDTYWKU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282757;MM282757;CCCC#CC(=O)CCC;DNGZLRHAPNPKNU-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282758;MM282758;CCCC(=O)C#CCCF;HJWXTPNNMKQLRR-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282759;MM282759;CCCC#CC(=O)CCO;LDJXGAUKTYENFZ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282760;MM282760;CCCC#CC(=O)CCF;QEKGBLQKBXRMEZ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282761;MM282761;C=C(C#CCNC)CCC;KXMFHHSBOSXUFI-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282762;MM282762;C=C(C#CCNC)CCO;HCGBDAXINWDDGF-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282763;MM282763;C=C(C#CCNC)CCF;UEIWCJFFVXHVNO-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282764;MM282764;CCCC(=O)C#CCNC;BLKDCNIEKZXHTA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282765;MM282765;C=C(C#CCOC)CCC;KIKDYFDUWGYMRQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282766;MM282766;C=C(C#CCOC)CCN;PGCOIXYVLPTFIX-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282767;MM282767;C=C(C#CCOC)CCO;LGZFYGBVNZLXCJ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282768;MM282768;C=C(C#CCOC)CCF;DXEQAKNBWBHMRV-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282769;MM282769;CCCC(=O)C#CCOC;MFQMLMJXJHZCCH-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282770;MM282770;C=C(C#CCCC)CNC;ISSHRSACYPIBRE-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282771;MM282771;C=C(C#CCCF)CNC;VLRVREQNLBRYGC-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282772;MM282772;C=C(C#CCNC)CNC;ZQHSMGNXHMOBBA-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282773;MM282773;CCCC#CC(=O)COC;GLNUCMKIDUNEJI-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282774;MM282774;C=C(C#CCOC)COC;RCBXWHDMTQGIII-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282775;MM282775;CCCC#CC(=N)NCC;KDCBBGCFSPEBCZ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282776;MM282776;CCNC(=O)C#CCNC;XQRIVFINBNPEEB-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282777;MM282777;CCCC#CC(=N)NNC;VOXSWDSZCNBWQE-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282778;MM282778;CN1C(CF)C1CCO;ZZNCIGSHSDPCGU-UHFFFAOYSA-N;133.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282779;MM282779;CNNC(=O)C#CCCN;ZTPYPZIBLIQEPW-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282780;MM282780;C=CC1C(CCO)N1C;DMJMKHYMYGHEDV-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282781;MM282781;C=NN1C(C)C1CCO;IHSHNIMOVXYIMH-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282782;MM282782;CNCC#CC(=N)NNC;HUHRZIQIBDYHOA-UHFFFAOYSA-N;140.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282783;MM282783;CNCC#CC(=O)NNC;UAEBDFMBEXIEPO-UHFFFAOYSA-N;141.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282784;MM282784;CCCC#CC(=O)NOC;IPOLLZIVZDWPTL-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282785;MM282785;COCC#CC(=O)NOC;MGWVAGQHGVXWGI-UHFFFAOYSA-N;143.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282786;MM282786;C=C(C#CCCC)OCC;ZKCQBAZOSJWSRU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282787;MM282787;CCCC#CC(=O)OCC;ZFMNCZDBAHELNX-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282788;MM282788;CCOC(=O)C#CCCO;KNCDIZYTJUXNDA-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282789;MM282789;C=C(C#CCNC)OCC;GCHQGCPQEGHVAE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282790;MM282790;CCOC(=O)C#CCOC;QVGLQZSJENDCFJ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282791;MM282791;C=CCC#CC(=C)CCC;DQIHDMIIVXWHHD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282792;MM282792;C=C(C#CCC=O)CCC;IOGBRWVVDQIJSU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282793;MM282793;C=C(C#CCC#N)CCC;HSEHCTCVUCMLKQ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282794;MM282794;C=CCC#CC(=C)CCN;MGRSFXXMEKELRU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282795;MM282795;C=CCC#CC(=C)CCO;NPOGCWRWJBVZEO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282796;MM282796;C=C(C#CCC#N)CCO;IKKRPNVHBSTQCF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282797;MM282797;C=C(C#CCC=O)CCF;IHIIWSQOPPCGGP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282798;MM282798;C=C(C#CCC#N)CCF;IRVYRLGDMFIBQP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282799;MM282799;C=CCC#CC(=O)CCC;BLPZYAJXUXVXOB-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282800;MM282800;CCCC(=O)C#CCC=O;JFMGHKVHXHNYIU-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282801;MM282801;CCCC(=O)C#CCC#N;JSDJRXWHUYDQGV-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282802;MM282802;C=CCC#CC(=O)CCO;BCXLGLNSEUMFOI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282803;MM282803;O=CCC#CC(=O)CCO;NJWFGWGXVRIPMN-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282804;MM282804;N#CCC#CC(=O)CCO;RIKGBDPUUIZKMN-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282805;MM282805;C=CCC#CC(=C)CNC;LJWBHZHLXSHMFT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282806;MM282806;C=C(C#CCC#N)CNC;LIOZCISISLUKGU-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282807;MM282807;C=CCC#CC(=O)COC;QTZXJHOAPCUGBX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282808;MM282808;COCC(=O)C#CCC#N;HFMYMHPOCUJMIN-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282809;MM282809;C=CCC#CC(=N)NCC;ANPHJJCKEARTTP-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282810;MM282810;C=CCC#CC(=O)NCC;SCPFWMVFMGUWLU-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282811;MM282811;CNNC(=N)C#CCC#N;IBBGAKHORYWSAX-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282812;MM282812;CNNC(=O)C#CCC#N;JREXCNHILKYPGH-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282813;MM282813;C=C(C(N)=O)C(C)(F)CC;CMVPNFOYWMXFFS-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282814;MM282814;C=CCC#CC(=O)NOC;FZSCCISDWSZWSI-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282815;MM282815;CONC(=O)C#CCC=O;MFQJVDMCSAJMFC-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282816;MM282816;C=CCC#CC(=C)OCC;OLQFHDKDCXVXTE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282817;MM282817;C=CCC#CC(=O)OCC;QUJPSZSGBCWDTN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282818;MM282818;CCOC(=O)C#CCC=O;YYPBGRHVSBYPQT-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282819;MM282819;CCOC(=O)C#CCC#N;TZAWNAZNZVCOAQ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282820;MM282820;C#CCC#CC(=C)CCC;RXQXBBOZNUJUDW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282821;MM282821;C#CCC#CC(=C)CCN;XPHVVLOWAFWVRE-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282822;MM282822;C#CCC#CC(=C)CCO;VDLFHUYVJGRVCS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282823;MM282823;C#CCC#CC(=O)CCC;VZQNFHHBYYQXAO-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282824;MM282824;C#CCC#CC(=O)CCO;VRPTVIGRPSGUQK-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282825;MM282825;C#CCC#CC(=C)CNC;PHGWZOQGODAELK-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282826;MM282826;C#CCC#CC(=C)COC;NVUVCQVLRZOECV-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282827;MM282827;C#CCC#CC(=O)COC;HJKNCVXUUXWRBX-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282828;MM282828;C#CCC#CC(=N)NCC;DWSBDJHULVOICA-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282829;MM282829;C#CCC#CC(=O)NCC;DLMUSTRIQBRGQI-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282830;MM282830;C#CCC#CC(=O)NOC;KHDSVEBTVMTMCC-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282831;MM282831;C#CCC#CC(=O)OCC;DAIJOUNKRCIHGO-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282832;MM282832;C=CCC(=C)C#CCCC;URAMVZAINWPHCD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282833;MM282833;C=CCC(=C)C#CCCO;WWRGXLRJECSANH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282834;MM282834;C=CCC(=C)C#CCCF;LHOSAADLVFJWHO-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282835;MM282835;C=C(C#CCCC)CC=O;DUSVTYQZIKCXIL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282836;MM282836;C=C(C#CCCC)CC#N;LRCOYTPFJVAMRO-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282837;MM282837;C=C(C#CCCF)CC=O;HDALBTOSOLTLGC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282838;MM282838;C=C(C#CCCF)CC#N;SAMPXZGFVNSOBL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282839;MM282839;C=CCC(=O)C#CCCC;BQKXSEWMNXIABO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282840;MM282840;CCCC#CC(=O)CC#N;MXSOFZILQLSXKL-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282841;MM282841;N#CCC(=O)C#CCCF;BKPCRXQVIDRCFF-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282842;MM282842;C=CCC(=C)C#CCNC;DNFGQFSDSWLXLD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282843;MM282843;CNCC#CC(=O)CC#N;ASRNDLLUHQWMRE-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282844;MM282844;C=CCC(=C)C#CCOC;FDPGAEVGFDCVMG-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282845;MM282845;C=C(C#CCOC)CC=O;FCMFOMNTRRBXFP-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282846;MM282846;C=C(C#CCOC)CC#N;SGBZVUWEIBPTJY-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282847;MM282847;C=CCC(=O)C#CCOC;NIRGGSRIGMBRBI-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282848;MM282848;C=C(C#CCCC)NC=N;VRNUCYKJRVWACT-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282849;MM282849;C=C(C#CCCN)NC=N;BUIVSMKVIYZQLZ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282850;MM282850;C=C(C#CCCC)NC=O;RMYDQOHNFLYUEA-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282851;MM282851;C=C(C#CCCN)NC=O;JENDDIOYQRMSQR-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282852;MM282852;C=CNC(=N)C#CCCC;NWXFOJLTEHQHDQ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282853;MM282853;C=CNC(=N)C#CCCN;DHKGOIFTOIXWQO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282854;MM282854;C=CNC(=N)C#CCCO;MXQSFEKEZYQGHX-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282855;MM282855;CCCC#CC(=N)NC=N;JTMNNNBSEHEUKC-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282856;MM282856;N=CNC(=N)C#CCCN;VXZBSURCOXLFLF-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282857;MM282857;N=CNC(=N)C#CCCO;CMZYMVZCIRCCJI-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282858;MM282858;CCCC#CC(=N)NC=O;AEZSBONIGZHMEK-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282859;MM282859;C=CNC(=O)C#CCCC;MUAKRJKXHXJEEZ-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282860;MM282860;C=CNC(=O)C#CCCO;ZVNZCXJMOMOKLK-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282861;MM282861;CC(C)(CCO)NCC#N;XAMSQNYOCUEWBH-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282862;MM282862;N=CNC(=O)C#CCCN;YZUPMWOCXAEJFU-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282863;MM282863;CC(C#N)NC(C)CCO;BLUODAAPYJTZQT-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282864;MM282864;CCCC#CC(=O)NC=O;DBQCQRFKHAKRNH-UHFFFAOYSA-N;139.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282865;MM282865;NCCC#CC(=O)NC=O;GVVBERVDBBKWTJ-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282866;MM282866;O=CNC(=O)C#CCCO;JSRCWIBZRQZXBY-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282867;MM282867;CNCC#CC(=N)NC=O;IKCTYUCVLKETFT-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282868;MM282868;CNCC#CC(=O)NC=N;BZZWXZQXRMPUQI-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282869;MM282869;CNCC#CC(=O)NC=O;QKCXALFSRIXFOL-UHFFFAOYSA-N;140.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282870;MM282870;C=CNC(=N)C#CCOC;BVQJHTFKVTVFAE-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282871;MM282871;C=CNC(=O)C#CCOC;CYECMGXTZPAMIN-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282872;MM282872;COCC#CC(=O)NC=O;AKMGTRFGCNYIDS-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282873;MM282873;CC(CCO)NC(=N)C#N;SMKLKBWINRBZCF-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282874;MM282874;C=C(F)CC(=O)N(N)C=N;JASLZMCOYUNFGZ-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282875;MM282875;C=NNC(=O)C#CCCC;RKAYXLSBDSXTDC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282876;MM282876;C=NNC(=O)C#CCCO;DWGBMXGQTRNMGP-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282877;MM282877;C=COC(=C)C#CCCC;YAWNMBHNQUDDRJ-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282878;MM282878;C=COC(=O)C#CCCC;KNWQOMQXOJBYSG-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282879;MM282879;C=COC(=O)C#CCCF;KNPLENREOJFYBT-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282880;MM282880;C=COC(=C)C#CCNC;DNEKDTKVLKOATM-UHFFFAOYSA-N;137.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282881;MM282881;C=COC(=C)C#CCOC;PRTVYXUSGUFCKB-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282882;MM282882;C=NOC(=O)C#CCCC;XHIBHCWJPMGWGF-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282883;MM282883;C=CCC#CC(=C)CC=C;UBJYARJATKCDKW-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282884;MM282884;C=CCC(=C)C#CCC#N;LGZSGPKUIOFOQA-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282885;MM282885;C=CCC#CC(=C)CC=O;SUBOLSHJCHQYRF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282886;MM282886;C=CCC#CC(=C)CC#N;DDJJBCHRAFRDEJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282887;MM282887;C=C(C#CCC=O)CC=O;CQGZKMQAPNALLW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282888;MM282888;C=C(C#CCC=O)CC#N;VUSHFNGXISYDJD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282889;MM282889;C=C(C#CCC#N)CC=O;KAHJOMGJNYHHDA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282890;MM282890;C=C(C#CCC#N)CC#N;YXZHMMCTGYYVRH-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282891;MM282891;C=CCC#CC(=O)CC=C;VPYAZDXVUVJEFR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282892;MM282892;C=CCC(=O)C#CCC=O;SNRWKNNYKWFLOG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282893;MM282893;C=CCC(=O)C#CCC#N;PWDVLVLWWMEETF-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282894;MM282894;C=CCC#CC(=O)CC#N;HKVQIFAAINGETM-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282895;MM282895;N#CCC(=O)C#CCC=O;NEMUJQAJYMFZGE-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282896;MM282896;C=CCC#CC(=C)NC=N;FSFHBNOCGWFXNX-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282897;MM282897;C=CCC#CC(=C)NC=O;RMBIVZLZFIJTHD-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282898;MM282898;C=CCC#CC(=N)NC=C;GUCXWNFRHGQKHI-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282899;MM282899;N#CCC#CC(=N)NC=O;RPEFXNIUXNWIGW-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282900;MM282900;C=CCC#CC(=O)NC=C;GINUGSFEHFOWGQ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282901;MM282901;CC(=CC(N)=O)C(C)C#N;HOFLSELZJSNKQD-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282902;MM282902;CON=CNC(C)CCO;DEMVDFZYLZVLPU-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282903;MM282903;C=CCC#CC(=O)NN=C;YTELFBMOBLHLJJ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282904;MM282904;C=COC(=C)C#CCC=O;HTJPYCVFMMJWHP-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282905;MM282905;C=COC(=C)C#CCC#N;DKEVVVHRLDWLIP-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282906;MM282906;C=C(C#CCC=O)OC=O;LGMKZZBVFKARSY-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282907;MM282907;C=C(C#CCC#N)OC=O;CWVKHOZOMMUTAI-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282908;MM282908;C=CCC#CC(=O)OC=C;DACRFJAJQIUQNH-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282909;MM282909;C=COC(=O)C#CCC=O;XUSMZXXZQBQUMG-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282910;MM282910;C=COC(=O)C#CCC#N;METGRDBRFWTBFW-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282911;MM282911;C=CCC#CC(=O)ON=C;HRXPXPDMVXCRAH-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282912;MM282912;C=NOC(=O)C#CCC#N;KGHAXZWTFKQPJG-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282913;MM282913;C#CCC#CC(=C)CC=C;QDQXOXJNFAHQOK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282914;MM282914;C#CCC#CC(=C)CC=O;CYFIQLWHQWZZJP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282915;MM282915;C#CCC#CC(=C)CC#N;NCEXFKNMICPJLX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282916;MM282916;C#CCC#CC(=O)CC=C;AQWVFHHGHLIPQS-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282917;MM282917;C#CCC#CC(=O)CC#N;OHJFHWJTBVECCO-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282918;MM282918;C#CCC#CC(=C)NC=N;ZPKWQYLPYOKBAX-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282919;MM282919;C#CCC#CC(=C)NC=O;JHRDHERJYCFLKN-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282920;MM282920;C#CCC#CC(=N)NC=C;WYSJPKNFHXDZGO-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282921;MM282921;C#CCC#CC(=O)NC=C;WFKMFNXIHGVXMZ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282922;MM282922;CCC=NNC(C)CCO;KMNSBHKYLRBEGX-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282923;MM282923;C=CC=NNC(C)CCO;KELUTKDPKKMOKL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282924;MM282924;C#CCC#CC(=O)NN=C;PYNYZCPZFOUFOD-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282925;MM282925;C#CCC#CC(=C)OC=C;ABNLLCMNFXVQNK-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282926;MM282926;C#CCC#CC(=C)OC=O;NYFCVMGVVBYLIP-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282927;MM282927;C#CCC#CC(=O)OC=C;SKCDTGZSHRQFEI-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282928;MM282928;C#CCC#CC(=O)ON=C;BQULVTRPXJYHOL-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282929;MM282929;C#CCC(=C)C#CCCC;JVOUUIFDGWVIIS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282930;MM282930;C#CCC(=C)C#CCCN;YXBSOONZDSCJDZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282931;MM282931;C#CCC(=C)C#CCCO;CZVOMZBFMJKBDH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282932;MM282932;C#CCC(=C)C#CCCF;JYNOPGQBIWCIQJ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282933;MM282933;C#CCC(=O)C#CCCC;SGPHIPYAGDEKDT-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282934;MM282934;C#CCC(=O)C#CCCO;UMYNPOLBDMLGLL-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282935;MM282935;C#CCC(=O)C#CCCF;RMRCKCYYJWEBAR-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282936;MM282936;C#CCC(=C)C#CCOC;HKICGLVTYLUEAD-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282937;MM282937;C#CCC(=O)C#CCOC;AEISBHFPKREGMX-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282938;MM282938;C#CCC(=C)C#CCC=C;UGXFWHOPMDKXPN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282939;MM282939;C#CCC(=C)C#CCC=O;PZMIXJUEWARLJE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282940;MM282940;C#CCC(=C)C#CCC#N;RMRLBZFFICICQK-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282941;MM282941;C#CCC(=O)C#CCC=C;JVDDIGDBMMWRMO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282942;MM282942;C#CCC(=O)C#CCC=O;GAYBJRZSGISQCS-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282943;MM282943;C#CCC#CC(=C)CC#C;JVALNHXMZNBXJC-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282944;MM282944;C#CCC#CC(=O)CC#C;RDFSDNLDZNMYOG-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282945;MM282945;CCCC(C)C#CC=CF;LYXOHSKALOKFAN-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282946;MM282946;CC(CCO)NN=CC=O;CINFHVZZLCKZHA-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282947;MM282947;NC(C#CC=CF)CCF;HEJVTHCGDAJDMW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282948;MM282948;CC=CC#CC(O)CCC;JUXRKUOJDGQUOE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282949;MM282949;CCCC(O)C#CC=CF;MOTCSLFNZFBUFG-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282950;MM282950;CC=CC#CC(O)CCO;ABCLLWQTAJJTIL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282951;MM282951;CC=CC#CC(F)CCN;IJOMCDMVFUARMO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282952;MM282952;CCCC(C)C#CC=NN;DOBMMVOMDWOKLT-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282953;MM282953;CCCC(C)C#CC=NO;QMDMAKXGJUCLLM-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282954;MM282954;NCCC(N)C#CC=NO;STTYZNOJWXNESB-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282955;MM282955;NCCC(O)C#CC=NO;WVPMAICTWNDNIE-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282956;MM282956;C=C(C(N)=O)C(=O)C=CN;YWDPDTRQNDUNID-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282957;MM282957;NCCC(F)C#CC=NO;MGNDQGPKXBOOCR-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282958;MM282958;CNCC(C)C#CC=CF;IGRBSVIBBVVHFP-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282959;MM282959;CNCC(N)C#CC=CF;GOWKEODRIABPRQ-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282960;MM282960;CNCC(O)C#CC=NN;XYSBDSPMMBUXMS-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282961;MM282961;COCC(O)C#CC=CF;XQPBROCSZSARSB-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282962;MM282962;CC=CC#CC(F)COC;OPQLMRMXDHGXEZ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282963;MM282963;COCC(C)C#CC=NN;KQARLGAKJHTOBD-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282964;MM282964;COCC(O)C#CC=NO;CVDPJDOMBQBWES-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282965;MM282965;CCOC(C(N)=O)=C(C)C;ZBKRMUWRJWJVLH-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282966;MM282966;CC=CC#CC(C)NCC;YLPNMTDHMSQMTA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282967;MM282967;CC=CC#CC(C)OCC;QYCBMTDHEFCITN-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282968;MM282968;CCOC(C)C#CC=CF;CPRZZDDGMWRPLQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282969;MM282969;CCOC(C)C#CC=NN;RMIJZRQOOOGXIM-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282970;MM282970;CCOC(C)C#CC=NO;NYCWYVDSGQASNT-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282971;MM282971;C=CCC(C)C#CC=CC;ATDQJGZNKRDRCV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282972;MM282972;C=CCC(C)C#CC=CF;JODWMBLGNWCDSX-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282973;MM282973;CC=CC#CC(C)CC=O;HXLTXCGIGUKJPZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282974;MM282974;CC(C#CC=CF)CC#N;LEEGLELYBBDFLJ-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282975;MM282975;C=CCC(N)C#CC=CC;FMFBZSWRKSFMFN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282976;MM282976;C=CCC(N)C#CC=CF;AOIWQEKUDWYNEM-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282977;MM282977;C=CCC(O)C#CC=CC;MEOCHLFSOWHBFU-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282978;MM282978;C=CCC(O)C#CC=CF;KOIGWNMVFSHMBK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282979;MM282979;CC=CC#CC(O)CC=O;INFNALTYIHXKOJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282980;MM282980;CC=CC#CC(O)CC#N;DYWBAFRKCSENOM-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282981;MM282981;O=CCC(O)C#CC=CF;JBMQPHKJBCWRQO-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282982;MM282982;N#CCC(O)C#CC=CF;SLNXTNBORJCKOJ-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282983;MM282983;CC=CC#CC(F)CC#N;GBUHOYDBGIYZCX-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282984;MM282984;CC(C#CC=NO)CC=O;QMHALLZRIUYHSL-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282985;MM282985;CC(C#CC=NO)CC#N;SENDEGLQSUYDMI-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282986;MM282986;CC=CC#CC(C)NC=N;NKULRJOQXQAOOX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282987;MM282987;CC=CC#CC(C)NC=O;MMFPILJLFLVQRZ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282988;MM282988;CC(C#CC=NO)NC=N;KVCUKUQSAUKZPP-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282989;MM282989;C=CC1(C)NC1C(=O)NC;FIANHQVTTPDUKD-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282990;MM282990;CCC(CNC(C)=O)=NN;UTTPHJRVYWGTFP-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282991;MM282991;C=COC(C)C#CC=CC;MXINDKDEJBMSRT-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282992;MM282992;CC=CC#CC(C)OC=O;KFBNFGGEMJJYHY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282993;MM282993;C=COC(C)C#CC=NN;LZFDPTYEQCLORU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282994;MM282994;C=COC(C)C#CC=NO;CMIDBQAURSQPKP-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282995;MM282995;C=NOC(C)C#CC=CC;WESMIPYMDKVGAL-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282996;MM282996;C#CCC(C)C#CC=CC;RPAYJOYQFIHFDY-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282997;MM282997;C#CCC(C)C#CC=CF;KGOKPOKAZDNYGB-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282998;MM282998;C#CCC(N)C#CC=CC;DOLLSAOQTWJLOS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM282999;MM282999;C#CCC(N)C#CC=CF;FUEUPDLNBYQIMK-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283000;MM283000;C#CCC(O)C#CC=CC;WPZSYRBCPJOIKU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283001;MM283001;C#CCC(F)C#CC=CC;IBXCFMABLQPRKU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283002;MM283002;C#CCC(C)C#CC=NN;KQVGNBOUQFTNST-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283003;MM283003;C#CCC(C)C#CC=NO;KFQRGWNEHBQNDU-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283004;MM283004;C=C(C#CC=CC)CCC;AESOQBXJGCDSRI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283005;MM283005;C=C(C#CC=CF)CCC;VUVXZAKOCRKDPT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283006;MM283006;C=C(C#CC=CC)CCN;UVBYUMCPLGJMFB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283007;MM283007;C=C(C#CC=CF)CCN;NUNMHQPSDQAXMQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283008;MM283008;C=C(C#CC=CC)CCO;ZHSQNWRPOWMNNT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283009;MM283009;C=C(C#CC=CF)CCO;VVGJKBOXTKYGCL-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283010;MM283010;CC=CC#CC(=O)CCC;JURFRMKMCCPXMN-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283011;MM283011;C=C(C#CC=NN)CCC;KATBEMFDRVMKAC-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283012;MM283012;C=C(C#CC=NO)CCC;JZZCKZPVIKKRTN-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283013;MM283013;CCCC(=O)C#CC=NO;VGKKDLPPCYQRCY-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283014;MM283014;CC=CC#CC(=O)COC;PVBQXTSPXOXGFE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283015;MM283015;COCC(=O)C#CC=CF;XNRINUKNZKZKGJ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283016;MM283016;CC=CC#CC(=O)NCC;ZVWQZQPQAZABMZ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283017;MM283017;CC=CC#CC(=N)NNC;LRGOKACULCVLMO-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283018;MM283018;COC(=NN)NCC(N)=O;RGUDIQQDVOIFBK-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283019;MM283019;CNNC(=O)C#CC=NN;JKDRBWWNSQFZFC-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283020;MM283020;CNNC(=O)C#CC=NO;RVWAXDYZJMUTTA-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283021;MM283021;CONC(=O)C#CC=CF;RAHNAMNLIJNUGW-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283022;MM283022;C=C(C#CC=CC)OCC;POQSLKUKFJEDGG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283023;MM283023;CC=CC#CC(=O)OCC;JFJFRLJPAMSXGY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283024;MM283024;C=C(C#CC=NN)OCC;XNEKRWVVOSDLNW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283025;MM283025;C=C(C#CC=NO)OCC;DJKNAFONVPLPJM-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283026;MM283026;C=CCC(=C)C#CC=CC;PSFMUBQITKIPSG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283027;MM283027;C=CCC(=C)C#CC=CF;WIUJFVNTASPMQI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283028;MM283028;C=C(C#CC=CC)CC=O;HXSBOWSTSDGRLJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283029;MM283029;C=C(C#CC=CC)CC#N;FCQITHLNNBEJFH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283030;MM283030;C=C(C#CC=CF)CC=O;FHYOXBCLBZPHJH-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283031;MM283031;C=C(C#CC=CF)CC#N;CSDIUPLEBHYWGL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283032;MM283032;C=CCC(=O)C#CC=CC;UZRLUBJBWJGVQW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283033;MM283033;C=CCC(=O)C#CC=CF;KEZBZJSSHHHCEL-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283034;MM283034;CC=CC#CC(=O)CC#N;WILBJVPOQYZTFG-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283035;MM283035;N#CCC(=O)C#CC=CF;FWAZNALQQOWJNG-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283036;MM283036;C=CCC(=C)C#CC=NN;LJMVDEDBPXDQTE-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283037;MM283037;C=CCC(=C)C#CC=NO;PHSOIMGCBXXGFP-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283038;MM283038;C=C(C#CC=NO)CC#N;HFQLMBIMRRDXMK-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283039;MM283039;C=C(C#CC=CC)NC=N;KZTIZIHBCRRVMT-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283040;MM283040;C=C(C#CC=CF)NC=N;CFKPFHRMHWVVPC-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283041;MM283041;C=C(C#CC=CF)NC=O;UAGISJPMBJASSE-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283042;MM283042;C=CNC(=N)C#CC=CC;LWVSXHHKMDJFOL-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283043;MM283043;C=CNC(=N)C#CC=CF;NKIYBFPZDNLEGC-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283044;MM283044;C=CNC(=O)C#CC=CC;VOCHZEMPUQHIRF-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283045;MM283045;C=NN(C=O)C=CC(N)=O;UYMARKYICLXYLJ-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283046;MM283046;NN=CC#CC(=O)NC=O;LYPHGGHZVVOLPT-UHFFFAOYSA-N;139.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283047;MM283047;O=CNC(=O)C#CC=NO;YVBGHWIBPRJQSJ-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283048;MM283048;CN1C(CCO)C1(C)C#N;UJFIEFWTVRZUFU-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283049;MM283049;C=NN(C)C(CF)CCO;KEYCOLHIYPFTQC-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283050;MM283050;C=NNC(=O)C#CC=CC;KNYKVXCUGBDUKR-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283051;MM283051;C=NNC(=O)C#CC=CF;PRBJWAVDXVVTBF-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283052;MM283052;C=COC(=C)C#CC=CC;JFGKXSMSAUVBHQ-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283053;MM283053;C=COC(=O)C#CC=CC;BFPSPFPJYREBLE-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283054;MM283054;C=COC(=C)C#CC=NN;OAHQMVCTLJJBNI-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283055;MM283055;C=C(C#CC=NN)OC=O;CTAHDZGRRBLQET-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283056;MM283056;C=NOC(=O)C#CC=CC;OXHRSYFILYIHJS-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283057;MM283057;C#CCC(=C)C#CC=CC;QSDJHHWGFUDHKV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283058;MM283058;C#CCC(=C)C#CC=CF;ICMXMCHCTBVDPV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283059;MM283059;C#CCC(=O)C#CC=CC;VMIAKMOYRHLXBF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283060;MM283060;C#CCC(=O)C#CC=CF;FRBXCKVATIFJGZ-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283061;MM283061;C#CCC(=C)C#CC=NN;PWUINKGUMJSBFZ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283062;MM283062;C#CCC(=C)C#CC=NO;IOFYSIDGJBKUES-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283063;MM283063;CC#CC#CC(C)CCC;CICRXQIDDNGURC-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283064;MM283064;CC#CC#CC(C)CCN;HRAVQKBZXBUGIJ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283065;MM283065;CC#CC#CC(C)CCO;OCUYOIBBUNJMFY-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283066;MM283066;CC#CC#CC(N)CCC;KFVRHZNFKGWEAJ-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283067;MM283067;CC#CC#CC(N)CCN;RLNHTYSIUDZERQ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283068;MM283068;CC#CC#CC(N)CCO;QNZPJGGUIADZAV-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283069;MM283069;CC#CC#CC(N)CCF;XAMLBLVSQUTXAK-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283070;MM283070;CC#CC#CC(O)CCC;WSFGIYLNYANONT-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283071;MM283071;CC#CC#CC(O)CCN;HUAPDPUWEMLSNP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283072;MM283072;CC#CC#CC(F)CCC;IABRPNVDYBLKPJ-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283073;MM283073;CC#CC#CC(F)CCN;FQZVXGMOGVUIFS-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283074;MM283074;CC#CC#CC(C)CNC;YNOBPHSFOBQVMN-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283075;MM283075;CC#CC#CC(N)CNC;YLKCQGFUULUGHX-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283076;MM283076;CC#CC#CC(C)COC;SCKDTFXLQHBOPW-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283077;MM283077;CC#CC#CC(O)COC;NEADBVBSQMADBK-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283078;MM283078;CC#CC#CC(F)COC;YKXDNZIATDYVBL-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283079;MM283079;CC#CC#CC(C)NCC;MLIJUBRVTAWTOU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283080;MM283080;CC#CC#CC(C)OCC;IBDDYYXRHKFSEA-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283081;MM283081;C=CCC(C)C#CC#CC;VHMSWXYHHSQRBB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283082;MM283082;CC#CC#CC(C)CC=O;FHMXCDBCTXYUIR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283083;MM283083;CC#CC#CC(C)CC#N;CGUBFRTWBDFQBY-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283084;MM283084;C=CCC(N)C#CC#CC;YQFQFKNQRZGIOY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283085;MM283085;C=CCC(O)C#CC#CC;DZXSXYJMNDYLOQ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283086;MM283086;CC#CC#CC(O)CC#N;SAPYOTVWCZMLJM-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283087;MM283087;C=CCC(F)C#CC#CC;GOKSOPMOSCQHKH-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283088;MM283088;CC#CC#CC(F)CC#N;KKMLORBREVYBRT-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283089;MM283089;CC#CC#CC(C)NC=N;QJIDZDROIWWRME-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283090;MM283090;CC#CC#CC(C)NC=O;WKIFPRIYNFXHQM-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283091;MM283091;CC=C(C=NNC)CCO;MWBTUTJXRMTOKE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283092;MM283092;C=COC(C)C#CC#CC;XKPZKAXYUDIRGS-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283093;MM283093;CC#CC#CC(C)OC=O;KFZFTQKMYWDYTE-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283094;MM283094;C#CCC(C)C#CC#CC;HNQZWORWUKVKSA-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283095;MM283095;C#CCC(N)C#CC#CC;QNOJODYUZXLRGU-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283096;MM283096;C#CCC(O)C#CC#CC;UMMREYKAMOEJQD-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283097;MM283097;C#CCC(F)C#CC#CC;ZJUAXYQCJKBNMA-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283098;MM283098;C=C(C#CC#CC)CCC;QHJHMOCEFLLANZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283099;MM283099;C=C(C#CC#CC)CCN;DPKHPXMBFLYRJP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283100;MM283100;C=C(C#CC#CC)CCO;IXAFKWUZGIBBMF-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283101;MM283101;C=C(C#CC#CC)CCF;FBSCHPUIRHLRJG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283102;MM283102;CC#CC#CC(=O)CCC;RFDRILPDZPUHEW-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283103;MM283103;CC#CC#CC(=O)CCO;NKLVTOMXMSWOHO-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283104;MM283104;C=C(C#CC#CC)CNC;MLCWCFYSHOFZGN-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283105;MM283105;C=C(C#CC#CC)COC;VVVVXEGGLQBQBL-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283106;MM283106;CC#CC#CC(=O)COC;HMDVLMGEXHLPRO-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283107;MM283107;CC#CC#CC(=N)NCC;ULBMQMUSEHKXKN-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283108;MM283108;CC#CC#CC(=O)NCC;AQNJKUUNPQTRIQ-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283109;MM283109;CC#CC#CC(=O)NNC;PHRSEFXJNYEZOM-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283110;MM283110;C=C(C#CC#CC)OCC;YTTSQRAOXASPKQ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283111;MM283111;CC#CC#CC(=O)OCC;BKIUZBFMULBRDC-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283112;MM283112;C=CCC(=C)C#CC#CC;RWBGWNZQBBAIEG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283113;MM283113;C=C(C#CC#CC)CC=O;RYUFGTKOTJBNCF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283114;MM283114;C=C(C#CC#CC)CC#N;OQOIDGZUNSRHRQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283115;MM283115;C=CCC(=O)C#CC#CC;LDKBTDWQUGYNDV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283116;MM283116;CC#CC#CC(=O)CC#N;BIEDZKPZJPKGNL-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283117;MM283117;C=C(C#CC#CC)NC=N;ZVMCNGNJCDOPEY-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283118;MM283118;C=C(C#CC#CC)NC=O;LWQWRRKLQZQRNR-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283119;MM283119;C=CNC(=N)C#CC#CC;PBXPMVWPLBIBNF-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283120;MM283120;C=CNC(=O)C#CC#CC;WMXWTYZWUGGHFP-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283121;MM283121;C=NN=CC(=CN)CCO;XAVVHKBARWPGMW-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283122;MM283122;C=NNC(=O)C#CC#CC;MPSYUIXGURVSEH-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283123;MM283123;C=COC(=C)C#CC#CC;GDWYPPLNOYAIBK-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283124;MM283124;C=C(C#CC#CC)OC=O;XLAPGPRVZWQLOH-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283125;MM283125;C=COC(=O)C#CC#CC;BLKLDWWFTVUTJJ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283126;MM283126;C=NOC(=O)C#CC#CC;VQGFZTHEXNZBFZ-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283127;MM283127;C#CCC(=C)C#CC#CC;OPQDENRHDVYWSS-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283128;MM283128;C#CCC(=O)C#CC#CC;NUXPCNQABLHTTE-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283129;MM283129;CC=CC(C)C#CCCC;JVABPSSLMOJRCE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283130;MM283130;CC=CC(C)C#CCCN;UVGUAZJQWXKTHJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283131;MM283131;CC=CC(C)C#CCCO;SODOORYUIJDIIP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283132;MM283132;CC=CC(C)C#CCCF;KDSDEEHAOZKASX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283133;MM283133;CC(C#CCCN)C=CF;ITPAOLVDIFVQFG-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283134;MM283134;CC=CC(N)C#CCCC;LFRHFDGMSABUGW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283135;MM283135;CCCC#CC(N)C=CF;PDJWICGTSSGEMJ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283136;MM283136;CC=CC(O)C#CCCC;ZPZNNDZDKSPZJJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283137;MM283137;CC=CC(O)C#CCCN;OEGFXQVFIDOENP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283138;MM283138;CC=CC(O)C#CCCF;MVJGGYQIMADZLN-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283139;MM283139;CCCC#CC(O)C=CF;MMOVIKSSJUSCGV-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283140;MM283140;OCCC#CC(O)C=CF;ZBXXEMVXSSHPRY-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283141;MM283141;OC(C#CCCF)C=CF;MQNDHRHDWRKPJF-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283142;MM283142;CC=CC(F)C#CCCC;KFWSUDISUGVATD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283143;MM283143;CC=CC(F)C#CCCN;YJSUICFHIIBDJG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283144;MM283144;CC=CC(C)C#CCNC;COTLHIUPXLQPDS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283145;MM283145;CNCC#CC(C)C=CF;IOLRRGGUQMKYFC-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283146;MM283146;CNCC#CC(O)C=CF;RHBAXJOXLQSNHU-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283147;MM283147;CC=CC(F)C#CCNC;AASQHWCKDZKEGX-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283148;MM283148;CC=CC(C)C#CCOC;BUONXQKHOWUBNK-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283149;MM283149;CC=CC(N)C#CCOC;HDNVKXIWJJOXLH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283150;MM283150;COCC#CC(N)C=CF;MTQZNCWIALPZCA-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283151;MM283151;CC=CC(O)C#CCOC;CNGXCONEJFUJTC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283152;MM283152;CCCC#CC(C)C=NO;HNKKZOVNQMAWSE-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283153;MM283153;C=NN(CC)C(C)CCO;ONAFQHIDHAXTAH-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283154;MM283154;O=CNCCC1(C=O)CN1;BJSSBQLMNFCRNU-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283155;MM283155;CCC1(C#N)NC1CCO;RURYMRDUMXDQMQ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283156;MM283156;O=c1oc(O)cn(O)c1=O;YKYZTVFHKHRSHZ-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283157;MM283157;C#CC1(CC)NC1CCO;BRFGTPOLQOAJAO-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283158;MM283158;CNCC#CC(C)C=NO;VLNVYGPOODYCNK-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283159;MM283159;CNCC#CC(O)C=NN;MLILCDOENDWAFQ-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283160;MM283160;C=CCC#CC(C)C=CC;IFHUNQSXHUHBDG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283161;MM283161;CC=CC(C)C#CCC=O;ACFTZRSSUPAMHK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283162;MM283162;CC=CC(C)C#CCC#N;LTLMEZFMNLELFH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283163;MM283163;CC(C#CCC#N)C=CF;XFOCJHXQVJFFFA-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283164;MM283164;C=CCC#CC(N)C=CC;UQJSKAAQCMYCFX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283165;MM283165;C=CCC#CC(N)C=CF;ZJWTUEKNBZIEKW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283166;MM283166;CC=CC(O)C#CCC=O;FNGBXYMTMZSGBU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283167;MM283167;CC=CC(O)C#CCC#N;LTGRVSKSUXSDLB-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283168;MM283168;C=CCC#CC(O)C=CF;VAIHWNNJOGTUQC-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283169;MM283169;C=CCC#CC(F)C=CC;UJFFNNXXEXNIPA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283170;MM283170;CC=CC(F)C#CCC#N;HYZLHOGPBWSNCA-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283171;MM283171;C=CCC#CC(F)C=CF;XWFXCJQKSDWOBF-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283172;MM283172;O=CCC#CC(F)C=CF;PKZKPWPDBNAOAU-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283173;MM283173;CC(C#CCC#N)C=NO;VSJQMNKJGIHNTR-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283174;MM283174;C=CC1(C=C)NC1CCO;MJDMYTXJKFKHRS-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283175;MM283175;CC(C)(COC=O)C(=O)O;DIBSHUBAVOOSDD-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283176;MM283176;C=CC1(C#N)NC1CCO;XWAGLMKAOLFCDS-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283177;MM283177;C=C(C=O)OCCC(=O)O;QSMAIALWTTUBMO-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283178;MM283178;C#CCC#CC(C)C=CC;OFUUYNSGNJZGOH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283179;MM283179;C#CCC#CC(C)C=CF;JILZBKKTTRMNRN-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283180;MM283180;C#CCC#CC(N)C=CC;JZJLJUAIWSHHPX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283181;MM283181;C#CCC#CC(N)C=CF;LCXNWZHMLDKPNX-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283182;MM283182;C#CCC#CC(O)C=CC;DEDUUMODVBLWQG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283183;MM283183;C#CCC#CC(O)C=CF;WSXULOKQTNOLGQ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283184;MM283184;C#CCC#CC(F)C=CC;HZDWKLWGMVAFTF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283185;MM283185;C#CCC#CC(F)C=CF;OSPMXCTYANQVAX-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283186;MM283186;C#CCC#CC(C)C=NO;MVEFTIMJTGJORL-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283187;MM283187;C#CC1(C=C)NC1CCO;FCMJBXNBXVAVEA-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283188;MM283188;CON(C=O)CCC(=O)O;OUGGRACZNATWJX-UHFFFAOYSA-N;147.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283189;MM283189;C=C(C#CCCC)C=CC;HAHLBSHZWRXXMY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283190;MM283190;C=C(C#CCCN)C=CC;PCBRNCHKHHYFRU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283191;MM283191;C=C(C#CCCO)C=CC;IBIRLSJMPJWMTI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283192;MM283192;C=C(C#CCCF)C=CC;IZWPDGRXSQXFKU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283193;MM283193;C=C(C#CCCC)C=CF;YKEYWVHEDURDMM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283194;MM283194;CC=CC(=O)C#CCCC;QMTGXBOSISDSTK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283195;MM283195;CC=CC(=O)C#CCCO;GUIBXYPRQKCERZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283196;MM283196;CCCC#CC(=O)C=CN;SCWHASBYMAVKFC-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283197;MM283197;C=C(C#CCNC)C=CC;XDLUCLQBJSIRID-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283198;MM283198;C=C(C#CCNC)C=CF;JNQBKJDCDZAYIR-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283199;MM283199;CNCC#CC(=O)C=CN;JDKYXEWTGQXRDH-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283200;MM283200;C=C(C#CCOC)C=CC;NHJXXYNYEAXOET-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283201;MM283201;C=C(C#CCCC)C=NN;FDDSNTNEAYRAAL-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283202;MM283202;C=C(C#CCCC)C=NO;DGPHQSQPEUPBJN-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283203;MM283203;C=C(C#CCNC)C=NN;JMHVKFZKBJEKLA-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283204;MM283204;C=C(C#CCNC)C=NO;HWOLUURAYSOMSP-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283205;MM283205;C=C(C#CCOC)C=NN;FOQGQIQEYRAOFY-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283206;MM283206;C=CCC#CC(=C)C=CC;WWDQZFLYVJXHGM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283207;MM283207;C=C(C#CCC=O)C=CC;TXWNIPYJNZUARR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283208;MM283208;C=C(C#CCC#N)C=CC;ZOALZNIMIZIVFE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283209;MM283209;C=CCC#CC(=C)C=CF;MCJRTKAWQFEUTA-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283210;MM283210;C=C(C#CCC=O)C=CF;FDNDORQTEHCQNW-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283211;MM283211;C=C(C#CCC#N)C=CF;AONLAPJHEDUZHD-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283212;MM283212;C=CCC#CC(=O)C=CC;QXAGNDSGPSKLGP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283213;MM283213;CC=CC(=O)C#CCC=O;ISHMBKTWTMPMRU-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283214;MM283214;CC=CC(=O)C#CCC#N;OKSKCAVXFBUKFU-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283215;MM283215;C=CCC#CC(=O)C=CN;YRLDYJJCSLHTNM-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283216;MM283216;C=CCC#CC(=O)C=CF;MMHMUGLSXSNVJT-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283217;MM283217;O=CCC#CC(=O)C=CF;XUHUDQGCRHFPFO-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283218;MM283218;C#CCC#CC(=C)C=CC;MUJFERCNVNJHLY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283219;MM283219;C#CCC#CC(=C)C=CF;LAYIXWUKKKHMLQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283220;MM283220;C#CCC#CC(=O)C=CC;YTQIFZQUGPYUDJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283221;MM283221;C#CCC#CC(=O)C=CN;BKIFTMSNGXHJCA-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283222;MM283222;C#CCC#CC(=O)C=CF;DXIUUUSBLYYJGF-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283223;MM283223;C#CCC#CC(=C)C=NN;MXIJBNBLRTTWDC-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283224;MM283224;CC=CC#CC(C)C=CC;YEFYOOQRALSABQ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283225;MM283225;CC=CC(C)C#CC=CF;ZHSCVXSXANHOID-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283226;MM283226;CC=CC#CC(C)C=CF;QCWPUZUVPBAKOA-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283227;MM283227;CC(C#CC=CF)C=CF;OGTYBLNPKCBGON-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283228;MM283228;CC=CC#CC(F)C=CC;CRBLDKYKMXLARM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283229;MM283229;CC=CC(C)C#CC=NN;HLGAYDKPFCUEHG-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283230;MM283230;CC=CC(C)C#CC=NO;KIJZYGHAPSGPIM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283231;MM283231;CC(C#CC=NN)C=CF;ORZLNNJQFFCJDE-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283232;MM283232;ON=CC#CC(O)C=CF;YATNPSGJAKVWRW-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283233;MM283233;C=COCOC=CC(=O)O;XPQFJJXOUHRMNY-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283234;MM283234;CC(=O)N=c1[nH]c(=O)[nH]o1;QLWYHRNKVDIZBW-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283235;MM283235;NN=CC(O)C#CC=NO;KOGXTNDTUOWFEK-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283236;MM283236;N#CC(C#CC=O)=NO;OAJUCPIHMAGRMQ-UHFFFAOYSA-N;122.08;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283237;MM283237;C#CC1(C#N)NC1CCO;FJGGNCHVEGCWQJ-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283238;MM283238;CCc1cnn(C=O)c1O;FAVNGNOIQONMLL-UHFFFAOYSA-N;140.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283239;MM283239;C=C(C#CC=CC)C=CC;TWJZVKSYTGGQAW-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283240;MM283240;C=C(C#CC=CF)C=CC;TWVYOILMTXCZHO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283241;MM283241;CC=CC#CC(=O)C=CC;VNIVKBDNVRZPHD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283242;MM283242;CC=CC#CC(=O)C=CN;KGQKUMFKHUXPEO-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283243;MM283243;CC=CC#CC(=O)C=CF;VAJAWIBGKFPNIA-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283244;MM283244;C=C(C#CC=NN)C=CC;MQUCWWCQGKTGSY-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283245;MM283245;C=C(C#CC=NO)C=CC;GXQNSEZFWXBGOD-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283246;MM283246;C=C(C#CC=CC)C=NN;UHYWXYRHRBKIQX-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283247;MM283247;C=C(C#CC=CC)C=NO;PZVODKVMJWAZTH-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283248;MM283248;C=C(C#CC=NN)C=NO;RYQCDMMMJWNOGM-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283249;MM283249;CC#CC#CC(C)C=CC;SKKQSHAANPKQOE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283250;MM283250;CC#CC#CC(C)C=CF;GUKKTZCJFPALIJ-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283251;MM283251;CC#CC#CC(O)C=CC;ACCNODGBYJZFAD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283252;MM283252;CC#CC#CC(F)C=CC;CLYBUUZGLHFQBG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283253;MM283253;CC#CC#CC(F)C=CF;YUTQBDDBEUHNET-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283254;MM283254;CC#CC#CC(C)C=NN;QESSJFLJQJDALW-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283255;MM283255;CC#CC#CC(C)C=NO;MHNDONCVBOHVIA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283256;MM283256;C#CC1(C#C)NC1CCO;QKMHZKHWBIIEKV-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283257;MM283257;C=CC1(C(C)NC=O)CO1;OOFBGGVANJNYSZ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283258;MM283258;O=CC=NNCCC(=O)O;SDGRAFINXQOXBP-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283259;MM283259;C=C(C#CC#CC)C=CC;HYIDUYNSFOJEEM-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283260;MM283260;C=C(C#CC#CC)C=CF;HXEKWEVDVVJWTG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283261;MM283261;CC#CC#CC(=O)C=CC;NTMYCDKATNUWFV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283262;MM283262;CC#CC#CC(=O)C=CN;BYTQSXPFVJXFDM-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283263;MM283263;CC#CC#CC(=O)C=CF;RZLZAYNAMJEIQX-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283264;MM283264;C=C(C#CC#CC)C=NN;IKUOWADJHKFLSK-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283265;MM283265;C=C(C#CC#CC)C=NO;OJKKGIRPEYPSKX-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283266;MM283266;CC#CC(C)C#CCCC;OYMDFWLNXAZFME-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283267;MM283267;CC#CC(C)C#CCCN;FDLIZDUMAFOLNT-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283268;MM283268;CC#CC(C)C#CCCO;SEKPYPQFJYBMEG-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283269;MM283269;CC#CC(C)C#CCCF;ZYWJXXUEPKBAHP-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283270;MM283270;CC#CC(O)C#CCCC;WGEHHSFMHDLCBB-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283271;MM283271;CC#CC(O)C#CCCN;YWARTPPCNBXYSV-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283272;MM283272;CC#CC(F)C#CCCC;ALUWSQHSMOMIFR-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283273;MM283273;CC#CC(F)C#CCCN;LVCQOSOLJOCLDE-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283274;MM283274;CC#CC(F)C#CCCO;CXOMZJBKYJNXNY-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283275;MM283275;CC#CC(C)C#CCNC;ZLNZKSDMYWODOC-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283276;MM283276;CC#CC(N)C#CCNC;QEVUNEIDSQFSCU-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283277;MM283277;CC#CC(F)C#CCNC;UCIPMNAOVPMPGS-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283278;MM283278;CC#CC(C)C#CCOC;KXZNNHCFOSVUGC-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283279;MM283279;CC#CC(O)C#CCOC;SICLOFFDLBJROR-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283280;MM283280;CC#CC(F)C#CCOC;AVDYSVVVGXIFLS-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283281;MM283281;C=CCC#CC(C)C#CC;BGESDWVRRTZJQQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283282;MM283282;CC#CC(C)C#CCC=O;FSGZZBYYODJNDS-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283283;MM283283;CC#CC(C)C#CCC#N;COFPHAVHONETRF-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283284;MM283284;C=CCC#CC(O)C#CC;ZOQQSIJZWSSPDS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283285;MM283285;CC#CC(O)C#CCC=O;VGJMDIJUVDWXOU-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283286;MM283286;CC#CC(O)C#CCC#N;CCGKVDYXYXGBGJ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283287;MM283287;C=CCC#CC(F)C#CC;KYPXGTVMYJLBKA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283288;MM283288;CC#CC(F)C#CCC=O;NFFSKIDEYPLBFM-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283289;MM283289;CC#CC(F)C#CCC#N;YHYAFADOHBGCKL-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283290;MM283290;C#CCC#CC(C)C#CC;AZSBDZOVDJNSKI-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283291;MM283291;C#CCC#CC(O)C#CC;OASMTQQNDJGJQY-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283292;MM283292;C#CCC#CC(F)C#CC;FCFFBBZQPCBGGY-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283293;MM283293;C=C(C#CC)C#CCCC;WDAWXHGTLDTXCO-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283294;MM283294;C=C(C#CC)C#CCCN;FMCDPYVKJYCUGB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283295;MM283295;C=C(C#CC)C#CCCO;FJPROBIGMWXFPP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283296;MM283296;C=C(C#CC)C#CCCF;JFSJDIAZUSCQNG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283297;MM283297;CC#CC(=O)C#CCCC;GTDALXIGHMHKRG-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283298;MM283298;CC#CC(=O)C#CCCO;GNUWXTBXZZMMIW-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283299;MM283299;CC#CC(=O)C#CCCF;WKEWENKIILZKDE-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283300;MM283300;C=C(C#CC)C#CCNC;WRRZNVGWBBVWGK-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283301;MM283301;CC#CC(=O)C#CCNC;KLJBGHDXQSMMQY-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283302;MM283302;C=C(C#CC)C#CCOC;ZQWACYRIZFKYGH-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283303;MM283303;CC#CC(=O)C#CCOC;MRUUHGJGNBAGSK-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283304;MM283304;C=CCC#CC(=C)C#CC;GRRIIRSCLPGEDB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283305;MM283305;C=C(C#CC)C#CCC=O;ZYXNIBPMPRQFJO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283306;MM283306;C=C(C#CC)C#CCC#N;WRQUUDQNFUUFGX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283307;MM283307;C=CCC#CC(=O)C#CC;QFIGPILMQKPAOR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283308;MM283308;CC#CC(=O)C#CCC=O;SHHFIMYLRJMDLW-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283309;MM283309;CC#CC(=O)C#CCC#N;ZOVYLNUPRDCDPM-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283310;MM283310;C#CCC#CC(=C)C#CC;COORPXHQUMWLII-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283311;MM283311;C#CCC#CC(=O)C#CC;ZTEOQMMNLBELBN-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283312;MM283312;CC#CC(C)C#CC=CC;JKTZAQOAQPULPO-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283313;MM283313;CC#CC(C)C#CC=CF;VNMGISFAVCAYKO-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283314;MM283314;CC#CC(O)C#CC=CC;DOCSNCLODVZLRV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283315;MM283315;CC#CC(F)C#CC=CC;BVXYXQAXLCYXEG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283316;MM283316;CC#CC(C)C#CC=NN;KYLWQSGMSLAWDT-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283317;MM283317;CC#CC(C)C#CC=NO;URNUPKASYZNOPE-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283318;MM283318;CC#CC(O)C#CC=NN;HMJVHBFMDKETEJ-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283319;MM283319;CC#CC(F)C#CC=NN;JWAGAIDOXANPLB-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283320;MM283320;CC#CC(F)C#CC=NO;ZMDKYQMFRNAKAV-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283321;MM283321;C=C(C#CC)C#CC=CC;DOQUNXSLSSHJQK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283322;MM283322;C=C(C#CC)C#CC=CF;PMACHUUMWRKQKO-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283323;MM283323;CC#CC(=O)C#CC=CC;CTWUGPJJZFQHPW-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283324;MM283324;C=C(C#CC)C#CC=NN;INELBPHLOOHTHU-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283325;MM283325;C=C(C#CC)C#CC=NO;OOIWFPGFZJVOML-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283326;MM283326;CC#CC#CC(C)C#CC;HZQIFJJVDTWZBM-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283327;MM283327;CC#CC#CC(O)C#CC;GPUXHSODANYCEZ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283328;MM283328;CC#CC#CC(F)C#CC;LTGCJDAECUOFJR-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283329;MM283329;C=C(C#CC)C#CC#CC;YHHBCSMSVITEBF-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283330;MM283330;CC#CC#CC(=O)C#CC;BWUOBCYJICZUFI-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283331;MM283331;CCC=C(C)CCCCC;CZXAETGPUZREJJ-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283332;MM283332;CCC=C(C)CCCCN;PRPGMEVHRJLEES-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283333;MM283333;CCC=C(C)CCCCF;QIKNEKKBMDEULF-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283334;MM283334;CC(=CCN)CCCCN;HAVNYBGRUPHUSK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283335;MM283335;CC(=CCN)CCCCO;PJWPOCWUAMYHMQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283336;MM283336;CCCCCC(C)=CCO;NPMCAXBLYVUWTC-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283337;MM283337;CC(=CCO)CCCCN;IGAOXQUJGLQRMV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283338;MM283338;CC(=CCO)CCCCO;YLCOXJTXIOKWNV-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283339;MM283339;CC(=CCO)CCCCF;FEGSPPDYHQINCR-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283340;MM283340;CC(=CCF)CCCCN;CGYXEFJLBBWMBD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283341;MM283341;NCC=C(F)CCCCF;YNDPILAXWVSYLD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283342;MM283342;CNCCCC(C)=CCN;PYDGCZDDRNQJIB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283343;MM283343;CNCCCC(C)=CCF;KKVCACMRDYTZND-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283344;MM283344;CNCCCC(F)=CCF;FGYFGDFEEHIXAN-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283345;MM283345;CCC=C(C)CCCOC;AOFAJPRTPYRBGF-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283346;MM283346;CCC=C(C)CCNCC;AXYUNMQCWFBWCU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283347;MM283347;CCNCCC(C)=CCN;CETPXKRITLKOQR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283348;MM283348;CCNCCC(C)=CCF;OWYFDYOHZKPBHC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283349;MM283349;CCNCCC(F)=CCO;DUJGNPTWJHMXBX-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283350;MM283350;CCC=C(C)CCOCC;FKTVNNKDVWRCOR-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283351;MM283351;CCOCCC(C)=CCN;GKBQKQMYJBMMDZ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283352;MM283352;CCOCCC(C)=CCO;OFGSNXWMRMLZLY-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283353;MM283353;CCC=C(F)CCOCC;GLWARWSUXDYRRF-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283354;MM283354;CCOCCC(F)=CCO;COSXFHDQWINGRY-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283355;MM283355;CCC=C(C)CNCCC;HBVBZFTVPUOZKO-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283356;MM283356;CCC=C(C)CNCCN;FNOXHLTXXOAWFD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283357;MM283357;CCC=C(C)CNCCO;AJAVMVWJWXCWQD-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283358;MM283358;CCCNCC(C)=CCN;OQFRZCDIHHMWFF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283359;MM283359;CC(=CCN)CNCCN;FDIIVDHCCWCZJE-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283360;MM283360;CC(=CCN)CNCCF;YOQXMUUMQBCDCN-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283361;MM283361;CC(=CCO)CNCCN;XIHHIDVKLWDRQV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283362;MM283362;CCCNCC(C)=CCF;SXHOQEUTNPJQNA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283363;MM283363;CC(=CCF)CNCCN;QVOFABPFZLLYQN-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283364;MM283364;NCCNCC(F)=CCF;XMKSIDAJNSRVMM-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283365;MM283365;COC=C(C)CNCCN;AIYUCLLHYSKZNC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283366;MM283366;CCC=C(C)COCCC;VLZWXLIADMYHLB-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283367;MM283367;CCC=C(C)COCCO;SJHJOMKVPHGQEX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283368;MM283368;CCC=C(C)COCCF;AGXPLKWDKBOIPR-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283369;MM283369;CCCOCC(C)=CCN;BXVOGVVAKIPIBO-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283370;MM283370;CC(=CCO)COCCN;IHSOXOVPJWZUKC-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283371;MM283371;NCC=C(F)COCCF;JSWCVFXWRBOHJB-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283372;MM283372;NCCOCC(F)=CCF;VTGSPCSGFKTYSE-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283373;MM283373;OCCOCC(F)=CCF;NOHDNQAMDAHELK-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283374;MM283374;COCOCC(C)=CCF;GDUBSQKYVIHHKE-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283375;MM283375;COCOCC(F)=CCO;WVXABUMXMMUTST-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283376;MM283376;CCCOCC(C)=COC;MMTPLUVXPZFXHI-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283377;MM283377;COC=C(F)COCCN;BTTZOGMPUGQADQ-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283378;MM283378;COC=C(F)COCOC;RWWBFQOYCQJCBM-UHFFFAOYSA-N;150.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283379;MM283379;CCCCCC(C)=NNC;DFODLCMFLJFZAT-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283380;MM283380;C=C1CC(=O)ON=C1CC;PSLJCHOBOFIOHG-UHFFFAOYSA-N;139.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283381;MM283381;CNCCCC(C)=NNC;LNHBXJPOFRJCHZ-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283382;MM283382;CCCCCC(C)=NOC;RVVPUUFKFZZWIU-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283383;MM283383;CON=C(C)CCCCN;FKFWNZKSTPIKNS-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283384;MM283384;CCOCCC(C)=NOC;XRAKSKHBZIJNOU-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283385;MM283385;CNN=C(C)CNCCN;YJLZATVFACXXDB-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283386;MM283386;CCCNCC(C)=NOC;MKBFXFGVBLWIDA-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283387;MM283387;CON=C(C)CNCCN;SGHKZPJLDWZTAO-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283388;MM283388;CN1C(C#N)CC1CCO;COEVPFYNFXKXGI-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283389;MM283389;CNN=C(C)COCOC;RVLKVJOGHMTVJL-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283390;MM283390;C=CC(F)C1NC1CCO;FHXBNXNAQUFJOI-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283391;MM283391;CNN=C(C)NCCOC;YSTKFEWTGKFFNB-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283392;MM283392;CCN=C(C)NOCCN;UMIWTRNMBXABER-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283393;MM283393;CNN=C(C)NOCCN;NBXWAVPVKLKABH-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283394;MM283394;CCC=C(C)OCCCC;DSPBWFMRAFJQGP-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283395;MM283395;CCC=C(C)OCCCO;MGFQFJVNIOWZPF-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283396;MM283396;CCCCOC(C)=CCN;MGNPNLGIAPJJDE-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283397;MM283397;CC(=CCN)OCCCO;UGKMOQAYOBOWEI-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283398;MM283398;CCCCOC(C)=CCO;VGSAGFBNEZDWRU-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283399;MM283399;CC(=CCO)OCCCN;OZVNXXWTSWWPMQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283400;MM283400;CC(=CCF)OCCCN;MVMVBEXCYMHSTE-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283401;MM283401;CNCCOC(C)=CCF;YNIKMBSOELENOT-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283402;MM283402;CCC=C(C)OCCOC;HQIXQMIPPKEBAL-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283403;MM283403;COC=C(C)OCCCN;MZSCEYVYSJINFS-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283404;MM283404;COC=C(C)OCCCO;HZWDTMBPPHEOBX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283405;MM283405;CNCCOC(C)=COC;BUESIEGWFRUHIB-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283406;MM283406;COC=C(C)OCCOC;JJRWEHHDKJUYMZ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283407;MM283407;CCC=C(C)OCOCC;XRFBOLFSFJZJCA-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283408;MM283408;CCOCOC(C)=COC;MXLMZRFYNCKSSV-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283409;MM283409;C=CC(=O)C1NC1CCO;VPDSAFDIGVRSRI-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283410;MM283410;CNCCOC(C)=NNC;QWNKXPDNMSWNIX-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283411;MM283411;N=C(C=O)N1CC1CCO;OUPMPOPSODBXNG-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283412;MM283412;CON=C(C)OCCCN;SFKVWKGDVZLGEE-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283413;MM283413;N#CC(=N)N1CC1CCO;KFQPIPKCADUJHR-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283414;MM283414;C=CCCCC(C)=CCC;XLBYLWWBYKAJEF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283415;MM283415;CCC=C(C)CCCC#N;GATSJPHFAXNMPC-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283416;MM283416;C=CCCCC(C)=CCN;BZGMTPZZKUVNSU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283417;MM283417;C=CCCCC(C)=CCO;HEHRRPQLWPUVFO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283418;MM283418;CC(=CCO)CCCC#N;FUBMRADQFBUKCN-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283419;MM283419;COC=C(C)CCCC=O;WSFWWIHDNIAQBT-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283420;MM283420;COC=C(C)CCCC#N;YVALEURCEOIIMU-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283421;MM283421;COC=C(F)CCCC=O;JVTHOOMMKXHDLD-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283422;MM283422;CCC=C(C)CCNC=N;TWPMPETXTLRASR-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283423;MM283423;CC(=CCO)CCNC=N;FLNJVXRIEMSLHK-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283424;MM283424;CC=CC1NC1C(=O)NC;QSHULUFYVXHELA-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283425;MM283425;C=NNCCC(F)=COC;WJXJAVIJGBPIPO-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283426;MM283426;CCC=C(C)CCOC=O;DDXXHGJCOJEWPY-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283427;MM283427;C=NOCCC(C)=CCC;OQPOLXAYFHKSNE-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283428;MM283428;OCCC1NC1C(F)=CF;YCSVWDUVPFMDIC-UHFFFAOYSA-N;149.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283429;MM283429;C=COCCC(C)=COC;MRXLOJVIRALWJE-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283430;MM283430;C=COCCC(F)=COC;PZDNBXJEQNQWLL-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283431;MM283431;C=NOCCC(F)=COC;ZDPXYSXNYVKLKO-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283432;MM283432;CCC=C(C)CNCC#N;YSIDBRINNMQPKA-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283433;MM283433;C=NN=CC1NC1CCO;ZJUMZCPRWNJPJP-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283434;MM283434;N#CC=CN1CC1CCO;WQLKCTFGYIQRHN-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283435;MM283435;COC=C(C)CNCC#N;UNHDNVCFXUNSFY-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283436;MM283436;O=CNNCC(F)=CCO;KWAQHDOZGJCEQQ-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283437;MM283437;N=CNNCC(F)=CCF;AUFWCFVZTAZMNF-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283438;MM283438;COC=C(F)CNNC=O;LGOGLQJGPDBLLK-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283439;MM283439;C=CCOCC(C)=CCN;CGKROUUBWOTQQE-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283440;MM283440;C=CCOCC(C)=CCO;ZDCZCRRKWAZAGG-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283441;MM283441;CC(=CCO)COCC=O;RFWRTYBNTUJLFI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283442;MM283442;CCC=C(F)COCC#N;WCNAQCNOIXAPEU-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283443;MM283443;C=CCOCC(C)=COC;KAFWPISNMUSJKA-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283444;MM283444;COC=C(C)COCC#N;UZZMEQCEYCXDDW-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283445;MM283445;COC=C(F)COCC=O;DRHRZTOSMPFCEV-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283446;MM283446;CCC=C(C)CONC=O;DOOFAHVNWUXKGV-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283447;MM283447;CC(=CCF)CONC=N;JAOLLGHDILFGSX-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283448;MM283448;CCC=C(F)CONC=N;KDIXVJITVRYVAJ-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283449;MM283449;CCC=C(F)CONC=O;RNIBRFVQEACODQ-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283450;MM283450;COC=C(C)CONC=N;KMOHBTDRMVYIQF-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283451;MM283451;COC=C(C)CONC=O;MUXKMTVHNMLMMG-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283452;MM283452;COC=C(F)CONC=N;DKCWFLJGASXTTK-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283453;MM283453;C=CCCCC(C)=NNC;PENFQSLFAYLMRL-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283454;MM283454;CNN=C(C)CCCC#N;DZQMNDZTTIOQCA-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283455;MM283455;C=CCCCC(C)=NOC;FFTHIGPIZJAHCE-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283456;MM283456;OCCC1NC1C#CCF;QOLHLWFFHXJHFH-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283457;MM283457;N#CC#CC1NC1CCO;ZGKFKQPJHPUGFV-UHFFFAOYSA-N;136.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283458;MM283458;CON=C(C)CCNC=N;FDAXAGXNJNGQGJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283459;MM283459;C#CC#CC1NC1CCO;YYMASBLPAOBCSW-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283460;MM283460;C=COCCC(C)=NOC;MWLPOSUVGGKPPS-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283461;MM283461;CON=C(C)CCOC=O;ZIGKIVDGSQNDMA-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283462;MM283462;C=NOCCC(C)=NOC;BROOGGWLPXTVEA-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283463;MM283463;CNN=C(C)CNCC#N;VMIANTPFUHMOBY-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283464;MM283464;C=CCOCC(C)=NOC;STUOTGKVTSEOAW-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283465;MM283465;CON=C(C)COCC#N;VCQUCDWBWILXCX-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283466;MM283466;CNN=C(C)CONC=N;OCGHWRQMCCPQIS-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283467;MM283467;CON=C(C)CONC=N;RNPUMMKJOSRSQB-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283468;MM283468;CON=C(C)CONC=O;ANVYLMXLQABMDR-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283469;MM283469;CCN=C(C)NCCC#N;VPDWCXMOIKLDBV-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283470;MM283470;CCN=C(C)NNCC#N;QQOCJPBOIMMHSY-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283471;MM283471;C=CCNNC(C)=NOC;PXIBEHPAVKUVDB-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283472;MM283472;CNN=COCCNC=O;SUKKVAUGWDZGFH-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283473;MM283473;CCN=C(C)NOCC=O;LGNZNEBEPYAZEN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283474;MM283474;CCN=C(C)NOCC#N;JSYLVAQNYGANEQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283475;MM283475;CCC=C(C)OCCC#N;QZIDLRDEFMRANA-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283476;MM283476;COC=C(C)OCCC#N;CMNDGLBDLSMIQA-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283477;MM283477;C=NNCCCO;MZMHTNDOHJYJMG-UHFFFAOYSA-N;102.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283478;MM283478;C=COCOC(C)=COC;NBQDJUURNUHPBF-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283479;MM283479;C=NOCOC(C)=COC;KHMYXORVKWCAPJ-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283480;MM283480;C=CCCOC(C)=NOC;CIGCBESARZAWGG-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283481;MM283481;C=NN(C)CCCO;ONJFXZFEBOCHQH-UHFFFAOYSA-N;116.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283482;MM283482;Nc1noc(N)c1N;RNSVLLOHBFIDNF-UHFFFAOYSA-N;114.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283483;MM283483;N#CCNCCCO;BWTLEDIIZUOBQI-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283484;MM283484;C#CCCCC(C)=CCC;UWQHTIMZJQTTHN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283485;MM283485;C#CCCCC(C)=CCN;DLHOJFHARGHMBZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283486;MM283486;C#CCCCC(F)=COC;GTMURCFDUHFXQC-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283487;MM283487;C#CCNCC(C)=CCN;UNYOGQKMYNTZOH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283488;MM283488;C#CCNCC(C)=COC;KVIGWVKZPQKROI-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283489;MM283489;C#CCOCC(F)=CCC;AMGLIDCUDZNLDG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283490;MM283490;C#CCOCC(F)=COC;UFWRHMSFTDDUJS-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283491;MM283491;C#CCOCC(C)=NOC;UKLMPBRVRLVTKT-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283492;MM283492;C#CCCNC(C)=NCC;WWNJBKDIMAQNMP-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283493;MM283493;C#CCONC(C)=NCC;MCRKCXBWSMFXSA-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283494;MM283494;CC(=NN(C)C)C(N)=O;CGAQWOBPHVVPRP-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283495;MM283495;C#CCCOC(C)=COC;YBNJHCZSFQNCCD-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283496;MM283496;C#CCCOC(C)=NOC;XPESOCIUMYNKKS-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283497;MM283497;C=CC=C(C)CCCCC;KCEWUAAXLWIJBN-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283498;MM283498;C=CC=C(C)CCCCN;YORNFCIFVSARLD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283499;MM283499;CNC(=O)C1NC1(C)C;CSJFFKZZDDSMAX-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283500;MM283500;C=CC=C(C)CCCCF;KUPDCPJOYCRHNE-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283501;MM283501;CCCCCC(C)=CC#N;FUENNFCTVMOSSO-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283502;MM283502;C=C(F)CCCNC=O;HGLHEMOLACALTM-UHFFFAOYSA-N;131.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283503;MM283503;CCCCCC(N)=CC=O;FCOZKLCRUDOJIL-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283504;MM283504;CCCCCC(N)=CC#N;HWWJKSOILIZPIY-UHFFFAOYSA-N;138.21;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283505;MM283505;NC(=CC=O)CCCCF;NNBOKEMILWPENE-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283506;MM283506;C=CC=C(F)CCCCN;QAHKODIZVHLXAT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283507;MM283507;CN(CC#N)CCCO;VJTRCOFUXANYFY-UHFFFAOYSA-N;128.18;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283508;MM283508;C=NNCC(=C)CCO;MVHHVAFUGHBACS-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283509;MM283509;C=CC=C(C)CCCNC;PJLXKNBDWBRTMN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283510;MM283510;CNCCCC(C)=CC=O;JJSOZJBBPDFXQO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283511;MM283511;CNCCCC(C)=CC#N;MGWRLXQFBKWHSS-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283512;MM283512;COCCCC(C)=CC=O;DWADJFGAYIHDHZ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283513;MM283513;COCCCC(C)=CC#N;SYLVPMYXPKXJIG-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283514;MM283514;COCCCC(F)=CC#N;NGDOLKYUWPCEJB-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283515;MM283515;C=CC=C(C)CCNCC;RQGLCZBSHNFKHG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283516;MM283516;CCNCCC(C)=CC=O;NZHDJWZMAQTAKR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283517;MM283517;CCNCCC(C)=CC#N;DHMNECUYTFATMX-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283518;MM283518;CCNCCC(N)=CC=O;DNTRPXXEERTLLQ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283519;MM283519;C=CC=C(C)CCOCC;RUUJMVXNJJOCTQ-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283520;MM283520;CCOCCC(C)=CC=O;LLIWILSHCCISNX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283521;MM283521;CCOCCC(C)=CC#N;CUCSRUICHIKQCI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283522;MM283522;CCOCCC(N)=CC#N;GAANVMUQZCWNMU-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283523;MM283523;C=CC=C(F)CCOCC;FBWQWZJRXVMZPY-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283524;MM283524;CCOCCC(F)=CC#N;IELGAUPWLRUNQE-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283525;MM283525;C=CC=C(C)CNCCC;OXUYVERZZQNAOE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283526;MM283526;CCCNCC(C)=CC=O;CDPUXKZDBKKIHZ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283527;MM283527;CCCNCC(C)=CC#N;IYUQPQRGMAWKHQ-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283528;MM283528;CC(=CC=O)CNCCO;UVQMPGNAWJXKJD-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283529;MM283529;CCCNCC(N)=CC#N;BJXPKKGZISHFQZ-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283530;MM283530;C=CC=C(F)CNCCN;QGEZNNUGLPIFOB-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283531;MM283531;C=CC=C(C)COCCC;KWWMTPJWXGQKBL-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283532;MM283532;C=CC=C(C)COCCN;KTZOKNGSOSQRCV-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283533;MM283533;CCCOCC(C)=CC=O;UKVCDQQBQYAKKW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283534;MM283534;CCCOCC(C)=CC#N;VWUIKYGFFGQAJI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283535;MM283535;CC(=CC#N)COCCF;XSNVIIHXWZQQJS-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283536;MM283536;CCCOCC(N)=CC#N;RTECJCSMMSLKIQ-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283537;MM283537;NC(=CC=O)COCCO;BYDLRVNJHLXMAM-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283538;MM283538;C=NOCC(=C)CCO;DZONFIVBXMDDDJ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283539;MM283539;C=CC=C(F)COCCN;HXMIGHUUAUXWRE-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283540;MM283540;C=CC=C(F)COCCO;PGPGUXXNGDIARQ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283541;MM283541;CCCOCC(F)=CC=O;MHHCYVKJUDQPOX-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283542;MM283542;C=CC=C(C)COCOC;ZLFKZKLYPASEPX-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283543;MM283543;COCOCC(C)=CC#N;UIMKPJDZGWDOTF-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283544;MM283544;COCOCC(N)=CC#N;GWCQSXJQFSINBR-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283545;MM283545;COCOCC(F)=CC#N;UTMWKOGLGZZCNQ-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283546;MM283546;CC(=O)N(N)CCCO;SFXNKSPDGCKUCR-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283547;MM283547;C=NN=C(C)CCOCC;KDWUVBWLJOWOII-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283548;MM283548;C=NN=C(C)CNCCN;ZGOFWERJMXXIAO-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283549;MM283549;C=NN=C(C)COCOC;IIDXVRWPGRQOTQ-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283550;MM283550;CCCCNC(C)=CC=O;DQJFAANKQNIABO-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283551;MM283551;CC(=CC=O)NCCCO;YQWWOGORILVFSH-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283552;MM283552;COCCNC(C)=CC=O;IJNFLVDMYDNQHR-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283553;MM283553;CC(=NCCCO)NC=N;JTQUZCUPGWJDQN-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283554;MM283554;CC(C#N)NCCCO;AWJYUIKIPFZJEV-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283555;MM283555;CN(C=O)NCCCO;WFZUMXGBCIISHS-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283556;MM283556;CC(=NOCCO)NC=O;FGNXZFDBDSRJBT-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283557;MM283557;CC(=NOCCF)NC=O;JAYWFWOGVBPIRQ-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283558;MM283558;C=CC=C(C)OCCCC;UHTSUHGMNRMYDP-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283559;MM283559;C=CC=C(C)OCCCN;ICMOZYJEUCLQDC-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283560;MM283560;C=CC=C(C)OCCCO;CWNBXCHJRBSEMT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283561;MM283561;CCCCOC(C)=CC=O;WTUNIRBOMOCCOJ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283562;MM283562;CCCCOC(C)=CC#N;ANZDQFSCVGXUDK-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283563;MM283563;CCCCOC(N)=CC#N;ZGZRLVYJYJVBHV-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283564;MM283564;C=CC=C(C)OCCNC;WTWRWLMGMLZGAP-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283565;MM283565;C=CC=C(C)OCCOC;ZDEHJBXWVGCLIR-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283566;MM283566;COCCOC(C)=CC#N;KPARPSAKPZCQJH-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283567;MM283567;COCCOC(N)=CC=O;YJSOSYITUFOEMN-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283568;MM283568;C=CC=C(C)OCOCC;XPZCHVLDEPLEEJ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283569;MM283569;C=NN=C(C)OCCCN;NKKVOBAJBMXZDB-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283570;MM283570;C=NN=C(C)OCCCO;DVIMPIKEFVSMLG-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283571;MM283571;C=NN=C(C)OCCOC;IVWBSSZSXUPOEH-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283572;MM283572;C=NN=C(C)OCOCC;HKPBYKFNRAZXFW-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283573;MM283573;C=CC=C(C)CCCC=C;DQGLPYMCVVCZFQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283574;MM283574;C=CC=C(C)CCCC=O;RDFAMAPKRSQVJS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283575;MM283575;C=CC=C(C)CCCC#N;NTMQXXTYRMCNHI-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283576;MM283576;C=CCCCC(C)=CC#N;LXRAXFFHPRMAQS-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283577;MM283577;CC(=CC#N)CCCC=O;NZKJAAJYOIPTJC-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283578;MM283578;C=CCCCC(N)=CC=O;DRADZWQATUYMRP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283579;MM283579;C=CCCCC(N)=CC#N;KFZGJXFLPCMSPJ-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283580;MM283580;CC=C(C=CF)C(N)=O;KKFXEBMWAJYXCN-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283581;MM283581;C=CC=C(F)CCCC#N;QAANXKHGPLIVFX-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283582;MM283582;C=CCCCC(F)=CC#N;PFFWJSAMJHHUOL-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283583;MM283583;N#CCCCC(F)=CC=O;VGTXVKGCIHIDNF-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283584;MM283584;C=CC=C(C)CCNC=N;WFKRRVYUYDTAAY-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283585;MM283585;Nc1nc(=O)ccn1N;IEOVXCXAQYGXFM-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283586;MM283586;N#CC=C(N)CCNC=N;NCVOAVORDSJOEV-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283587;MM283587;CN1C=NC(=NC=O)C1;MYFJNMFXHVQRCN-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283588;MM283588;N=CNCCC(F)=CC=O;UIJIWCPFWITCCB-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283589;MM283589;C=CC=C(C)CCOC=O;QCMUJCAJKFFOCI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283590;MM283590;C=COCCC(C)=CC#N;LKUVLYNAAXJFLD-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283591;MM283591;C=COCCC(N)=CC#N;CANQMHFVQISSLY-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283592;MM283592;NC(=CC=O)CCOC=O;PASDGNJQKOBVCT-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283593;MM283593;C=CC=C(F)CCOC=O;MLJGICHXDONJBK-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283594;MM283594;O=CC=C(F)CCOC=O;YCXIJQTWLVTWNQ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283595;MM283595;C=NOCCC(C)=CC#N;FJQYSFZMHSCBLH-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283596;MM283596;C=NOCCC(F)=CC=O;VIULCLDWHZTTMH-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283597;MM283597;C=NOCCC(F)=CC#N;YOUZPWOMSZHXGC-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283598;MM283598;C=CC=C(C)CNCC=C;HYLWHRPCUBOWEG-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283599;MM283599;C=CCNCC(C)=CC=O;KHNCKYKSGGDGGM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283600;MM283600;N#CC=C(N)CNCC#N;BXYQTMMKGISKJG-UHFFFAOYSA-N;136.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283601;MM283601;C=C(CCO)CN1CC1;LDOUFANRSNYWPV-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283602;MM283602;CNN(C=O)CCCO;ZZBCDGVKMXHLRC-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283603;MM283603;CC(=CC#N)CNNC=N;PVAWHQIKMIZSOH-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283604;MM283604;N=CN(C=O)CCCO;XCJQVHIBHRGQPB-UHFFFAOYSA-N;130.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283605;MM283605;N#CC=C(N)CNNC=N;BOOXXAHOJDDKKJ-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283606;MM283606;N#CC=C(F)CNNC=N;WJFXLYHPCPBQAM-UHFFFAOYSA-N;142.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283607;MM283607;C=CC=C(C)COCC=C;DNFKTSGKHFZUQU-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283608;MM283608;CC(=CC#N)COCC#N;KCPVKDCXRHRBAJ-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283609;MM283609;C=CC=C(F)COCC=O;NHXZWSDEZJQJPH-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283610;MM283610;C=CC=C(F)COCC#N;HQZFWVDNXCSPPV-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283611;MM283611;N#CC=C(F)COCC=O;HNIJSMORDNAMJW-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283612;MM283612;C=CC=C(C)CONC=N;IKMGDDPJZILPQY-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283613;MM283613;C=CC=C(C)CONC=O;ONRVAVFQNDKDSV-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283614;MM283614;N#CC=C(N)CONC=N;GQXWNGNCCAZLPU-UHFFFAOYSA-N;140.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283615;MM283615;N#CC=C(N)CONC=O;VLPXTRSTVYNYFT-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283616;MM283616;O=CC=C(F)CONC=O;BUSNOULNWORCRD-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283617;MM283617;C=CCCCC(C)=NN=C;PTEBXUQVUHFGMY-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283618;MM283618;C=NN=C(C)CCCC#N;RHIXJUXVPPWYBC-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283619;MM283619;C=NN=C(C)CCOC=O;BNQTUJFUEHPSGK-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283620;MM283620;C=NN=C(C)CCON=C;UWYILNVJPKPSGW-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283621;MM283621;C=NN(C=N)CCCO;BJQDKUCMXCNRMD-UHFFFAOYSA-N;129.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283622;MM283622;C=NN=C(C)CNCC#N;SACSGPKGVKEWCB-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283623;MM283623;C=NN=C(C)CNNC=O;BBPCNFQIWCBDIG-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283624;MM283624;C=NN(C=O)CCCO;VSUPYTDDHBVBHF-UHFFFAOYSA-N;130.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283625;MM283625;C=NN=C(C)COCC#N;YYFSASKSFIGKLC-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283626;MM283626;C=CCCNC(C)=CC=O;ONHXBAIURXECJV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283627;MM283627;C=CCCNC(N)=CC=O;YIQIRCLTJFBZKQ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283628;MM283628;N#CC=C(N)NCCC#N;HUZHCXHSIOGPGK-UHFFFAOYSA-N;136.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283629;MM283629;C=CC=C(C)OCCC#N;UVXCONWPHXKXMR-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283630;MM283630;C=CCCOC(N)=CC=O;PZNCXRXEOREICW-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283631;MM283631;C=CCCOC(N)=CC#N;OHMIMLLPSYHUCB-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283632;MM283632;N#CC=C(N)OCCC#N;DVUGGRPMMMMGCJ-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283633;MM283633;C=CC=C(C)OCOC=C;AOUOLLSRHVUOCC-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283634;MM283634;C=CC=C(C)OCOC=O;UHOOMJQZRWARKS-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283635;MM283635;NC(=CC=O)OCOC=O;HTCCIIQRBZNJBU-UHFFFAOYSA-N;145.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283636;MM283636;C=NN=C(C)OCCC=O;DFWJBUJRSGYOAZ-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283637;MM283637;C=COCOC(C)=NN=C;NYSYXOPVLLAFTG-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283638;MM283638;C=NN=C(C)OCOC=O;XFFCKKVONLVWLO-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283639;MM283639;C#CCCCC(C)=CC=C;RWLLLWMTSMJHTJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283640;MM283640;C#CCCCC(C)=CC#N;UANKWBCHAONXRM-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283641;MM283641;C#CCCCC(N)=CC=O;OMCFONWAJIRHPN-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283642;MM283642;C#CCOCC(C)=CC#N;SQBDAWFBAIXCGL-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283643;MM283643;C#CCOCC(F)=CC=O;YTJFXMASQLSLEC-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283644;MM283644;C#CCOCC(C)=NN=C;LNGZRMRTYKLELM-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283645;MM283645;C#CCCN=C(C)NC=N;FRARZNTXCWQSBK-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283646;MM283646;CNC(=O)C1C(C)N1C;KXNRZGZNFCXULF-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283647;MM283647;COC=NNCCCO;ZIMFDYDTAGAAET-UHFFFAOYSA-N;132.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283648;MM283648;C#CCCOC(C)=CC=C;QAXBDZWFPYIYHX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283649;MM283649;C#CCCOC(C)=CC=O;GSKXDLSLTWAJOM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283650;MM283650;C#CCCOC(C)=CC#N;IGWRHGBEOJXYLA-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283651;MM283651;C#CCCOC(C)=NN=C;BZBPSJOULSWNNH-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283652;MM283652;C#CC=C(C)CCCCC;QKLPRLWUWQJSTP-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283653;MM283653;C#CC=C(C)CCCCN;NZIYTFPUHWYTAP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283654;MM283654;C=CC=NNCCCO;GNVQZSNTBFVVRL-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283655;MM283655;C#CC=C(C)CCCCF;YQDVDLGMXZRLIE-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283656;MM283656;C#CC=C(F)CCCCC;CEWJBGDIGUSOFN-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283657;MM283657;C=CC1CN1CCCO;PSAMBUOZTICMJH-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283658;MM283658;C#CC=C(C)CCCNC;RZBRVBSSMWKCDU-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283659;MM283659;C#CC=C(C)CCCOC;MSJYNSIFMPRQRE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283660;MM283660;C#CC=C(C)CCNCC;MRAAXCJHBGLBAF-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283661;MM283661;C#CC=C(F)CCNCC;DJZAEABRSNEQTE-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283662;MM283662;C#CC=C(C)CCOCC;NVYXCJQDYDLNGR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283663;MM283663;C#CC=C(F)CCOCC;FEUKLLBXPBERJO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283664;MM283664;C#CC=C(C)CNCCC;UQANSZVTKSVCDH-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283665;MM283665;C#CC=C(F)CNCCN;FMTWFPYGMHTOBJ-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283666;MM283666;C#CC=C(C)COCCC;ICUFKPMGPRRQJG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283667;MM283667;C#CC=C(F)COCCO;XBFAFJJTHMACLB-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283668;MM283668;C#CC=C(C)COCOC;MPARBIWHEISFED-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283669;MM283669;C#CC=C(F)COCOC;UVXFBNYAWSVLIQ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283670;MM283670;C#CC=C(C)OCCCC;RPLOSHRRJHTAPS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283671;MM283671;C#CC=C(C)OCCCN;XKMOBKRBGBETTQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283672;MM283672;C#CC=C(C)OCCNC;NNOWRYAUSMLVIX-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283673;MM283673;C#CC=C(C)OCCOC;YHDUMNUXFJRDCW-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283674;MM283674;C#CC=C(C)OCOCC;PHZLVWAKYPQECL-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283675;MM283675;C#CC=C(C)CCCC=C;HWMIKAHFAMAFCN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283676;MM283676;C#CC=C(C)CCCC=O;VBBOHJLFFGCRGY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283677;MM283677;C#CC=C(C)CCCC#N;DCKKVMUKHQIWSJ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283678;MM283678;C#CC=C(F)CCCC=C;YDFKZIAOOTXBMS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283679;MM283679;C#CC=C(F)CCCC#N;HSPDWVIFKIZEDB-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283680;MM283680;C#CC=C(F)CCNN=C;BEEMZFPYNMTBGC-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283681;MM283681;C#CC=C(C)CCOC=O;UMSYIUWPEPQUCS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283682;MM283682;C#CC=C(F)CCOC=O;SFSQIWCBSXBYNG-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283683;MM283683;C#CC=C(C)CCON=C;RBFLOWFRZCMWNG-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283684;MM283684;C#CC=C(F)CCON=C;WLMKERIHFFUSRY-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283685;MM283685;C#CC=C(C)CNCC=C;QSUPEJITTMGQPN-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283686;MM283686;C#CC=C(C)CNCC#N;IKWHNPMTCCVECB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283687;MM283687;O=CC1CN1CCCO;IIMBWCRLDGGYMH-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283688;MM283688;C#CC=C(F)CNCC#N;HZZDROIKCNQTMP-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283689;MM283689;C#CC=C(F)CNNC=O;KYWZNWAHUMPCQV-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283690;MM283690;C#CC=C(C)COCC#N;LJRCZUBPSDMSKY-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283691;MM283691;C#CC=C(F)COCC=O;IAAPGPMEMAWMLC-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283692;MM283692;C#CC=C(F)COCC#N;CUBURGFEGWYMIO-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283693;MM283693;C#CC=C(C)CONC=N;DSZPZDJLJVCVKX-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283694;MM283694;C#CC=C(C)OCCC=O;NPIQXLDYPIKGDO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283695;MM283695;C#CC=C(C)OCCC#N;NJDOWUYLDVYBNO-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283696;MM283696;C#CC=C(C)OCOC=C;QPDLTIUESMJVLR-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283697;MM283697;C#CC=C(F)COCC#C;OKRMJJWJDSBVLR-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283698;MM283698;C#CC=C(C)OCCC#C;UGBBSDVSPNCIQA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283699;MM283699;CC=CCCC(C)=CCC;FENIKUXFPXFQRG-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283700;MM283700;CC=CCCC(C)=CCN;LTRAAGCBLODAGD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_C5";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283701;MM283701;CC(=CCN)CCC=CF;ZYTDFCALVJULNB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283702;MM283702;NCC=C(F)CCC=CF;MWDZVZTYBCGBNY-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283703;MM283703;CCC=C(C)CCC=NN;SWSGKIIVYIJESM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283704;MM283704;CC(=CCN)CCC=NO;YLODNVBVGXBPFR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283705;MM283705;CC(=CCO)CCC=NO;YMSFNXJKWXOYPQ-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283706;MM283706;CC(=CCF)CCC=NO;URBPDWXHOKWNRC-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283707;MM283707;NCC=C(F)CCC=NO;JFQARWFQCYWRRL-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283708;MM283708;COC=C(C)CCC=NN;LACXPAAIMIIGCW-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283709;MM283709;COC=C(C)CCC=NO;QJRPOYTZOZYIRL-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283710;MM283710;COC=C(F)CCC=NN;XEAKOBZVJQGANZ-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283711;MM283711;CN=CNCC(C)=CCN;UIHZAVRKDUFLIP-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283712;MM283712;CNC=NCC(C)=COC;QRHJAYDMKWCSPK-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283713;MM283713;COC=C(C)CN=CNN;HGPSNBZPHYLLCJ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283714;MM283714;N#CC1CN1CCCO;MZHRFJDEJOANKN-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283715;MM283715;CCC=C(C)COC=CF;GTMGLSXWZJYKAG-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283716;MM283716;CCC=C(F)COC=CF;CIZORNKIQWAHNQ-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283717;MM283717;OCC=C(F)COC=CF;GTPZHSFSYZVOTQ-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283718;MM283718;CCC=C(C)COC=NO;BLAPKIQWUWNQQW-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283719;MM283719;CC(=CCN)COC=NO;UOOFYASHRXCHHL-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283720;MM283720;C#CC1CN1CCCO;CTIRNMNMYSDLFS-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283721;MM283721;CCC=C(F)COC=NO;GZZPCGHCYHFVDS-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283722;MM283722;CC1C2C(=O)C(=O)CN12;OYADSZCSSQMOGQ-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283723;MM283723;CC=COCC(F)=COC;MOMRDFYDCKAABN-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283724;MM283724;CC(C)(C#N)C=CC(N)=O;ULAJWJDFPDYWEH-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283725;MM283725;CN(CCCO)CC(F)F;XOBCXUBTYIPPLI-UHFFFAOYSA-N;153.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283726;MM283726;CC=NOCC(C)=CCN;GVDGUNNZQFDPGL-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283727;MM283727;CNC(=O)CNN=C(C)C;XSMIKATVZFAVJR-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283728;MM283728;CC=NOCC(C)=COC;JAKXNXJBHKSWTK-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283729;MM283729;CC=NOCC(F)=COC;NANUJDBSQOFLBE-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283730;MM283730;CC=CCCC(C)=NNC;GWKNJZUXANWWFD-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283731;MM283731;CNN=C(C)CCC=CF;BFOXKEQEFBHRME-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283732;MM283732;CNN=C(C)CCC=NN;VKUUDCNMIMCWQH-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283733;MM283733;CON=C(C)CCC=NO;PQIUMUFMIGJPKV-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283734;MM283734;CNN=C(C)CN=CNN;OLIJIAREEINRKC-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283735;MM283735;CC=NNCC(C)=NOC;XDNRKRAKMSGZOQ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283736;MM283736;CNN=C(C)COC=NO;ZUNVRRZYSIGJNZ-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283737;MM283737;CC=NOCC(C)=NNC;ABEKKQLWSPCIPV-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283738;MM283738;CC=NOCC(C)=NOC;JJDVRASMYANNCP-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283739;MM283739;CCN=C(C)NCC=CF;WCSJOOAARGWTRP-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283740;MM283740;CCN=C(C)NCC=NN;MFLCYVLVPZLLIJ-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283741;MM283741;CCN=C(C)NCC=NO;BCBYHZQZADGBNG-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283742;MM283742;CCN=C(C)NNC=NN;AITNQFGSVGDJHP-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283743;MM283743;CCN=C(C)NNC=NO;LGMSGTUHSXKZCS-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283744;MM283744;CCC=C(C)OCC=NO;HVWGIMPWPYQDMA-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283745;MM283745;CC(=CCN)OCC=NO;SIDPMAVZXJETRF-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283746;MM283746;C=C(CCO)CN(N)C=O;XDGKJVIYQLMYLR-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283747;MM283747;COC=C(C)OCC=CF;OBKCSVUIVMCKOC-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283748;MM283748;COC=C(C)OCC=NN;SIRXGXYNBXLHOK-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283749;MM283749;C=CC=C(C)CCC=CC;LHDWPVVSBQGORL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283750;MM283750;C=CC=C(C)CCC=CF;COOJWBYBJBDNRG-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283751;MM283751;CC=CCCC(C)=CC=O;GKTYXDFHEKQLPJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283752;MM283752;CC=CCCC(C)=CC#N;OQISOURNXOVNCA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283753;MM283753;CC(=CC=O)CCC=CF;ZFGIHIRGEAQROJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283754;MM283754;CC(=CC#N)CCC=CF;DDENFODDCWKKKC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283755;MM283755;CC=CCCC(N)=CC#N;MENQZWMTTWIPSV-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283756;MM283756;NC(=CC=O)CCC=CF;CIMLILBTHJPLPK-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283757;MM283757;CC=CCCC(F)=CC#N;HADWKYSRCUGLEX-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283758;MM283758;C=CC=C(C)CCC=NO;REAKIPUUJXQYQD-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283759;MM283759;CC(=CC#N)CCC=NO;OTULVZSFOAUFBP-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283760;MM283760;C=CC=C(F)CCC=NN;DITRGPFSMQIEPL-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283761;MM283761;O=CC=C(F)CCC=NO;JNUOVTDLUYELBD-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283762;MM283762;C=CC=C(C)CNC=NC;NCVKYQHRLSVVLE-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283763;MM283763;C=CC=C(F)CNC=NC;DJURPAKCFDAEHF-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283764;MM283764;CC#CC(C)=CC(=O)NC;JHCDUBMWYWMZPT-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283765;MM283765;C=CC=C(F)CNN=CC;QXDSYLFCMJSGQC-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283766;MM283766;C=CC=C(C)COC=CC;GOMYVSFIMLAEEA-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283767;MM283767;C=CC=C(C)COC=CF;UTTGOSUCOMFUTQ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283768;MM283768;CC(=CC=O)COC=CF;ZSWSTGZCTKQIFO-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283769;MM283769;CC=COCC(N)=CC=O;IKEZNKFQYZJMMH-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283770;MM283770;CC=COCC(N)=CC#N;WHGHXTCXNMBBBD-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283771;MM283771;N#CC=C(N)COC=CF;RKKGMBSRVWSDCE-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283772;MM283772;CC=COCC(F)=CC#N;DXCPJKAXNUZCBR-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283773;MM283773;N#CC=C(F)COC=CF;ZVPQRFMVJCBHKJ-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283774;MM283774;NC(=CC=O)COC=NO;RENQIHVVFRSEDT-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283775;MM283775;C=CC=C(F)COC=NO;YOWISXCKLNZIRM-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283776;MM283776;CC=NOCC(C)=CC#N;NGVFCTJVHMJUKB-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283777;MM283777;C=NN=C(C)CCC=NO;UHYQXMCYEZBVIL-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283778;MM283778;C=NN=C(C)CNC=NC;ZFXUUSATZNPWCM-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283779;MM283779;C=NN=C(C)COC=CC;JMJCAMRRZPAERY-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283780;MM283780;C=NN=C(C)CON=CC;ZOKCXIOPEOTPKO-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283781;MM283781;CC=CCNC(C)=CC=O;KXDHORARPMPTDE-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283782;MM283782;CC(=CC#N)NCC=NO;QNMLIBHQPLKDCF-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283783;MM283783;N#CC=C(N)NCC=NO;SAQYTEKJJPAECE-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283784;MM283784;CCC(=CC(N)=O)CC#N;QLMWXSXDSSFJLJ-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283785;MM283785;CN=CNNC(N)=CC#N;YBUGOTGNZUHQLR-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283786;MM283786;CC(=NCC=NN)NC=N;APILEHGAMFZCQI-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283787;MM283787;CC(=NCC=NO)NC=N;WVHGBMPUCVFZST-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283788;MM283788;CCOC(C=O)=CC(N)=O;FGYIVCQTDSGVNT-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283789;MM283789;CC(=NN=CNO)NC=O;QBJGESVDDOSTLE-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283790;MM283790;C=NN=C(C)NNC=NC;ZDTSCCOCTNYSCE-UHFFFAOYSA-N;141.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283791;MM283791;CC(=NOC=NN)NC=O;MZJJLMWWFGIODP-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283792;MM283792;CC(=NOC=NO)NC=O;AQTGAHCFIKBTNM-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283793;MM283793;C=NNC(C)=NOC=NO;ZKAJNYIBGOTKQN-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283794;MM283794;C=CC=C(C)OCC=CC;RZBAURCKASNVCZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283795;MM283795;C=CC=C(C)OCC=CF;NWALSQBKKYWFHB-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283796;MM283796;CC=CCOC(C)=CC#N;OWEWOZDQKITSHJ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283797;MM283797;CC=CCOC(N)=CC#N;CSIUOUMRXOCFSJ-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283798;MM283798;NC(=CC=O)OCC=CF;KYTSHAVUVQNFPO-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283799;MM283799;N#CC=C(N)OCC=CF;LCJXERTYWSBGTM-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283800;MM283800;C=CC=C(C)OCC=NN;KYWUSEHJHCVDCB-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283801;MM283801;C=NN=C(C)OCC=NN;PEQUBSMDZOKCGC-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283802;MM283802;C#CC=C(C)CCC=CC;GPGCDMDKJMAXTO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283803;MM283803;C#CC=C(C)CCC=CF;SADXFFQYZMQZBI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283804;MM283804;C#CC=C(F)CCC=CC;HKQJKSVAYYLLBN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283805;MM283805;C#CC=C(C)CCC=NO;DYIQUKFGMBLJGV-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283806;MM283806;C#CC=C(C)CNC=NC;HESJSYODTKLRBS-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283807;MM283807;C#CC=C(F)CNC=NC;RJSMGTWPWWNYEX-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283808;MM283808;C#CC=C(F)CNN=CC;USVZPWCWWSQFHU-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283809;MM283809;C#CC=C(C)COC=CF;FJRDNQRIIKQJJA-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283810;MM283810;C#CC=C(F)COC=CF;LRNMUJXWJCPHLB-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283811;MM283811;CC(=O)C=NNCCCO;ARYZZSOMTWXPID-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283812;MM283812;C#CC=C(C)COC=NO;BWZDONMTNIRSLK-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283813;MM283813;C=NN=C(C)NCCCO;XOPJPXZDRTUCFR-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283814;MM283814;C#CC=C(F)COC=NO;OZMNKQSERPWDDM-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283815;MM283815;C#CC=C(C)CON=CC;IYFBEQIAQVAOOW-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283816;MM283816;C#CC=C(F)CON=CC;MXPHVBUPBRQDFF-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283817;MM283817;C#CC=C(C)OCC=CC;QTOBLRYWQGLUQL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283818;MM283818;C#CC=C(C)OCC=CF;WYDOKZFUYOLKKG-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283819;MM283819;C#CC=C(C)OCC=NN;DYWHPCRVMBKUBT-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283820;MM283820;CC#CCCC(C)=CCC;SRBPVUQXGIBIEL-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283821;MM283821;CC#CCCC(C)=CCO;DZVSTVJWZXYAHQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283822;MM283822;CC#CCCC(F)=CCC;KVVCXDNEKSPIKE-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283823;MM283823;CC#CCCC(C)=NOC;PRVOABBFRWVCGT-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283824;MM283824;CC#CCNC(C)=NOC;APJNWNBBILBNBS-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283825;MM283825;CC#CCOC(C)=CCC;DCMQHZOJRLDCMQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283826;MM283826;CC#CCOC(C)=CCO;GODOVSDKNADNCX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283827;MM283827;CC#CCOC(C)=COC;FACUOZKWQWCCGD-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283828;MM283828;CC(=O)N(C)NCCCO;DCEKNNHRJQDWAI-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283829;MM283829;CC#CCOC(C)=NOC;LIQYSJBGPHCENU-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283830;MM283830;C=CC=C(C)CCC#CC;WTBPHTVNOWOUNE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283831;MM283831;CC#CCCC(C)=CC#N;HTAVORIUOOIKRQ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283832;MM283832;CC#CCCC(N)=CC=O;WMKOCOWVISMTFZ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283833;MM283833;C=CC=C(F)CCC#CC;KVAGIVATUSGLLZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283834;MM283834;CC#CCNC(C)=CC=O;CIEJSAANEZIQLP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283835;MM283835;CC#CCN=C(C)NC=N;MMNYNRXDXABWEG-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283836;MM283836;C=CC=C(C)OCC#CC;BFALQYHURPCDBN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283837;MM283837;CC#CCOC(N)=CC#N;SIZMDUSEINDFHB-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283838;MM283838;C=NN=C(C)OCC#CC;UEUGHJCZQVJBHF-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283839;MM283839;C#CC=C(C)CCC#CC;OIZBVHMVVZJANL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283840;MM283840;C#CC=C(F)CCC#CC;DTEYDVBGZOANIY-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283841;MM283841;C#CC=C(C)OCC#CC;OGAIPVQCEQWVJJ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283842;MM283842;CCC=CCC(C)=CCC;AZCRNZDSNINIEO-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283843;MM283843;CCC=C(C)CC=CCO;CGILKOIGXZULNV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283844;MM283844;CC(=CCF)CC=CCO;XQQWZMIMACLQIN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283845;MM283845;CCC=C(F)CC=CCN;BCILNCIPBYPZCX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283846;MM283846;CCC=C(F)CC=CCO;FIHMDUWSJQROEF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283847;MM283847;CCC=C(F)CC=CCF;LZGZFIBOTJBSEL-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283848;MM283848;COC=C(C)CC=CCN;KSBWZSJBNJWFQY-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283849;MM283849;COC=C(F)CC=CCN;QBBAXCWIGKLMQI-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283850;MM283850;COC=C(F)CC=CCO;ZYBYFQAPQVGYFQ-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283851;MM283851;COC=C(F)CC=CCF;VYBUTMUVDLXKIH-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283852;MM283852;CCC=C(C)CC=NNC;FCZNSSJJRNIQTR-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283853;MM283853;CCC=C(F)CC=NNC;XPWLFUMYZSVOSE-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283854;MM283854;CCC=C(C)CC=NOC;VYZJJUACTPMWGL-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283855;MM283855;CON=CCC(C)=CCN;ZQTJALBUIIZBBE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283856;MM283856;CCC=C(F)CC=NOC;WTJJPSBSYFAIBS-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283857;MM283857;COC=C(C)CC=NOC;BKPNNNGRSCOQEL-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283858;MM283858;COC=C(F)CC=NOC;KQBOPAFXKDMCIN-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283859;MM283859;CON=C(C)CC=CCN;MCTXTEVCUCOSIV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283860;MM283860;N=C(NCCCO)C(F)F;LTISNBNUHANZRT-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283861;MM283861;CON=C(C)CC=CCF;LSNRRSTWALPECA-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283862;MM283862;COC=CCC(C)=NOC;WDEQFXIKOGGAMX-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283863;MM283863;CC(=O)C(=N)NCCCO;KXWIKNAOGPLOBX-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283864;MM283864;CNN=CCC(C)=NOC;VOQOCZUGQRFMAK-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283865;MM283865;CCC=C(C)NC=NCC;CCIKZCFWMLKMOA-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283866;MM283866;CON=CNC(C)=CCN;DSCGNVBTSAIVTK-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283867;MM283867;CCN=CNC(C)=COC;SDRNKIFJZFQHSX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283868;MM283868;COC=C(C)NC=NOC;QDWQKVVEIQYQLA-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283869;MM283869;CCC=CNC(C)=NCC;YIWRHEDJEWWEGA-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283870;MM283870;CCN=C(C)NC=CCO;VURSXOIXUKDIFU-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283871;MM283871;CCN=C(C)NC=COC;AVKFHSUCFWWVCC-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283872;MM283872;CCC=CN=C(C)NNC;WSEZKAFWPNZQRO-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283873;MM283873;CCC=CN=C(C)NOC;RUTFTZWDLYLJSB-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283874;MM283874;CON=C(C)NC=CCN;YLIYAUNYOASVRI-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283875;MM283875;CCN=CNC(C)=NCC;RKDNXARCYXZHTH-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283876;MM283876;CC(=COCCF)C(N)=O;VSPQZPPNRANRTH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283877;MM283877;C=C(C(C)F)C(C)NC=O;RIOYJADJPYBHEM-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283878;MM283878;C=C(C(N)=O)C(C)OC=O;QEHIMVPNOZTCTN-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283879;MM283879;COCC(=CCF)C(N)=O;DRJBJLVVBZSTQG-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283880;MM283880;CCC=COC(C)=CCC;SRHRSMYIWQJBDW-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283881;MM283881;CC(=CCN)OC=CCN;COQIVDFXOGBZRD-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283882;MM283882;COC=COC(C)=CCO;XEJLHYCCOXVCHA-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283883;MM283883;COC=C(C)OC=CCN;UZZVIZVJPAGVKB-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283884;MM283884;COC=C(C)OC=CCO;IYHCHCHNYNHLEB-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283885;MM283885;COC=C(C)OC=CCF;KYPCDQZCWSCMEU-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283886;MM283886;COC=COC(C)=COC;FFSXLICUKOYMHZ-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283887;MM283887;CCC=C(C(N)=O)C(C)F;OXTAQDSZWOZKDH-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283888;MM283888;C=CC(F)C=CC(=O)NC;NHEIUOFUPVXFHZ-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283889;MM283889;COC=C(C)OC=NOC;UAOMEOJQIZJVTQ-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283890;MM283890;C#CC(=C)C=CC(=O)NC;LTTLGYXTOUNHFQ-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283891;MM283891;COC=COC(C)=NOC;OZIRKDSJERERPU-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283892;MM283892;CCC(C#N)C=CC(N)=O;WBTBZKDSPVPNDE-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283893;MM283893;C=CC1(CC(=O)CF)CN1;QTAXSLBSMICWEO-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283894;MM283894;CCC=C(C)CC=CC=O;XLHJZWOKCKIXRT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283895;MM283895;CCC=C(C)CC=CC#N;GAUFGLYYUGEPLA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283896;MM283896;C=CC=CCC(C)=CCN;UUBLAACOWIJMQZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283897;MM283897;CC(=CCF)CC=CC=O;GNFDISQQENCTHG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283898;MM283898;CCC=C(F)CC=CC=O;YEODUKNLGKTYMY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283899;MM283899;C=CC=CCC(C)=COC;NYSYXSJVARIEMO-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283900;MM283900;COC=C(F)CC=CC=O;GTIWIDRFBNMPEP-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283901;MM283901;C=NN=CCC(C)=CCF;OAYNFQBEHJLCQS-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283902;MM283902;C=NN=CCC(F)=CCC;BFKVAWUKTHIMNO-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283903;MM283903;CNN=C(C)CC=CC=O;NDQQYZFUFWZXJG-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283904;MM283904;C=CC=CCC(C)=NOC;QGVRARTZILHKJU-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283905;MM283905;CON=CN(N)CCCO;SRYKTIGBSCRJNA-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283906;MM283906;CN(CCCO)N=CCF;VWFQLHDIMCTMDK-UHFFFAOYSA-N;148.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283907;MM283907;COC=NN(C)CCCO;OWPKQGJNDLYMOC-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283908;MM283908;CCC=C(C)N=CNC=N;RBYGMXQAGXXZQO-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283909;MM283909;CCC=C(C)N=CNC=O;AUYXHWDMOCOMRI-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283910;MM283910;CC(=CCN)N=CNC=N;DKBMHLWPPHZRIT-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283911;MM283911;CC(=CCN)N=CNC=O;WSZYQQWUPXQOAU-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283912;MM283912;C=NNC=NC(C)=CCN;HTKJCPVAKNXMKH-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283913;MM283913;COC=C(C)N=CNC=O;CLVPDDASSDFCJT-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283914;MM283914;CCN=C(C)NC=CC=O;RVKGPYKNVXBAHW-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283915;MM283915;CCN=C(C)NC=CC#N;KFEBWGCDUFAHPG-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283916;MM283916;NN(C=NC=O)CCCO;KGOYPESUNCSIQH-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283917;MM283917;CNN=C(C)N=CNC=N;RVLABYFRPXAYIB-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283918;MM283918;CNN=C(C)N=CNC=O;LQJSHOIZECRTPE-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283919;MM283919;C=NN=CN(N)CCCO;SGDXFZJYJQSPAV-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283920;MM283920;CN(C=O)N(C)CCCO;SHMQBHQKEUHJGS-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283921;MM283921;C=CC=COC(C)=CCC;VZBFJRXAEPOJSR-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283922;MM283922;CCC=C(C)OC=CC#N;VXQNEMZRNWKGNX-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283923;MM283923;COC=C(C)OC=CC=O;BHYHZYOCDKSYRO-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283924;MM283924;COC=C(C)OC=CC#N;BJBNCTHRTFLLNB-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283925;MM283925;C=NN=COC(C)=CCC;QKWKJKYXSVKMAL-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283926;MM283926;C=NN=COC(C)=CCO;VFDLWZPPQBWBIZ-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283927;MM283927;C=NN=COC(C)=COC;APRXDXQNPHAALL-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283928;MM283928;CN(CCCO)C(=N)C=O;KNHXOOPPCNDIFA-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283929;MM283929;C=CC=COC(C)=NOC;LSIKQYTWDLNWGF-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283930;MM283930;C=NN=COC(C)=NOC;VFKVPVAXVLQCDG-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283931;MM283931;C=NOCCCC(=O)NC;WGBPXXAKCWPOLJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283932;MM283932;CON=C(C)ON=CC=O;ZVERRHUPPDCGOZ-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283933;MM283933;C#CC=CCC(C)=CCC;DDXFKXXWCDFGHT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283934;MM283934;C#CC=CCC(C)=CCN;ZDJOVYQPGDXBNN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283935;MM283935;C#CC=CCC(F)=CCC;XEBJWBOKLMHFGA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283936;MM283936;C#CC=CCC(F)=CCF;YZHJCTBNJQAHRO-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283937;MM283937;C#CC=CCC(C)=NOC;DGRHCTVAZSUGGW-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283938;MM283938;C#CC=CNC(C)=NCC;IGZWBYNPSJZQFC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283939;MM283939;C#CC=CNC(C)=NNC;ZGQSNMHEUJFAAS-UHFFFAOYSA-N;137.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283940;MM283940;NC(C=O)=NNCCCO;WOEMZNZHODQWJG-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283941;MM283941;C#CC=COC(C)=CCC;OTWDOVPZIJFAOK-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283942;MM283942;C#CC=COC(C)=CCO;WMFKGAGGYHZYOH-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283943;MM283943;C#CC=COC(C)=COC;HARQLPUVQLMFNP-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283944;MM283944;N#CC(=N)NNCCCO;HJGPNNXPUOZJSI-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283945;MM283945;C#CC=COC(C)=NOC;VAKRLWXZRWCZOO-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283946;MM283946;CNC(=O)CCC=NOC;UHWXMUJTJNXCGO-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283947;MM283947;C#CC=NOC(C)=NOC;SJJCMFNRYJSGIT-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283948;MM283948;C=CC=C(C)CC=CCC;KHEFFXXFVDZCTB-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283949;MM283949;C=CC=C(C)CC=CCN;BXPFOSDXVSEUCO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283950;MM283950;C=CC=C(C)CC=CCO;WLVIALGADDGPKJ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283951;MM283951;C=CC=C(C)CC=CCF;RPVUBUURHTYJCM-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283952;MM283952;CCC=CCC(C)=CC=O;KBMVLWHNQHESEJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283953;MM283953;CCC=CCC(C)=CC#N;GTEQPYGTFVPNAD-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283954;MM283954;CC(=CC#N)CC=CCF;HROGRUYXZZMFPU-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283955;MM283955;CCC=CCC(N)=CC#N;WQKOEWLDARTWHX-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283956;MM283956;NC(=CC=O)CC=CCF;OVRFZWVADKMGMM-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283957;MM283957;N#CC=C(N)CC=CCF;QTFUPTOSNZRVNE-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283958;MM283958;C=CC=C(F)CC=CCN;XTBNDHUATQUBRE-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283959;MM283959;COC=CCC(N)=CC#N;LDQPULPKISAKPE-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283960;MM283960;C=CC=C(F)CC=COC;CTLWOEIFJPXPBX-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283961;MM283961;C=CC=C(C)CC=NNC;JLAQOPGOPPQCIM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283962;MM283962;CNN=CCC(C)=CC#N;BVLUTVFCHVPIGV-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283963;MM283963;C=CC=C(C)CC=NOC;NMFCTNNHZXYMKN-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283964;MM283964;C=NN=C(C)CC=CCN;DBBJWQKMRLONQY-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283965;MM283965;C=NN=C(C)CC=CCF;JXUCYQIKDCJPTR-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283966;MM283966;C=CC=C(C)NC=NCC;ZWOSWWCNCJVURW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283967;MM283967;CCN=CNC(C)=CC=O;DXMXEALFKGHHIT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283968;MM283968;CCN=CNC(C)=CC#N;HIXVAJONFLMWTR-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283969;MM283969;CCN=CNC(N)=CC=O;VLLXJGUGUKIYEA-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283970;MM283970;CCN=CNC(N)=CC#N;KINHPWXOLUEVMP-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283971;MM283971;CC(C=O)=NNCCCO;FBUBXZWSLPIHPX-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283972;MM283972;CC(=NC=CCO)NC=N;HMYUWGNNSBMGPQ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283973;MM283973;CC(=NC=CCF)NC=N;CSPMQSLGQPFPFD-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283974;MM283974;CC(C#N)=NNCCCO;ANWMOWMYWIGZER-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283975;MM283975;CC(=NC=CCN)NC=O;IQXDBNBUHJLYRF-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283976;MM283976;COC=CN=C(C)NC=O;MQQYIJSOGPJPFU-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283977;MM283977;C=NN=C(C)NC=CCN;ZKWUATQBULAQDB-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283978;MM283978;C=CC1(C)CN1CCCO;CBXSDBRPKCSPHS-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283979;MM283979;CCC=NN=C(C)NC=O;XRJHTLBQJOLNOF-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283980;MM283980;CC(=NN=CCF)NC=O;LYSHLMXJYFEYDB-UHFFFAOYSA-N;145.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283981;MM283981;CC1(C=O)CN1CCCO;ANGDNIULSBBFBN-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283982;MM283982;C=CC1(F)CC1CNC=O;NAKMUPVFXWXITJ-UHFFFAOYSA-N;143.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283983;MM283983;C=CC=C(C)OC=CCO;BEPUYKXJWZWRGB-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283984;MM283984;CCC=COC(C)=CC#N;VAEANYVDEZUCIW-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283985;MM283985;CC(=CC=O)OC=CCF;MRDATIAREBFNSK-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283986;MM283986;CC(=CC#N)OC=CCF;NMCHGJISWTYQOI-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283987;MM283987;CCC=COC(N)=CC#N;YYSRQBKBAWGSLN-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283988;MM283988;C=C(CF)C(CC)NC=O;JOSQAXBYZCPUTH-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283989;MM283989;C=CC=C(C)OC=NOC;GOICUFWTTFGMJB-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283990;MM283990;CON=COC(C)=CC#N;OBJVUQVBZZDMKS-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283991;MM283991;CCCN(C=O)CCCO;DTCJAPCTABPIGI-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283992;MM283992;C=NN=C(C)OC=CCN;MFMGETPEUSUXCQ-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283993;MM283993;C=NN=C(C)OC=CCO;RMKSQXLPHMVNIX-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283994;MM283994;C=NN=C(C)OC=COC;QQMASECKOMETIM-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283995;MM283995;C=NN=C(C)OC=NOC;IGRHWJMWDZCYLK-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283996;MM283996;C=NN=C(C)ON=CCC;QLBQANKDHILSPD-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283997;MM283997;C=NN=C(C)ON=CCN;BBOOHONUAUDFKR-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283998;MM283998;C=NN(CCF)CCCO;JTNBWZOQJCVJND-UHFFFAOYSA-N;148.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM283999;MM283999;C=NN=C(C)ON=COC;HAYIVDQSEBKHSJ-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284000;MM284000;C=CC=CCC(C)=CC=C;PGZFDSSIAHQUGG-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284001;MM284001;C=CC=C(C)CC=CC=O;PVGOIJFDEVTHTI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284002;MM284002;C=CC=C(C)CC=CC#N;ODCFSSRYEQZZCN-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284003;MM284003;C=CC=CCC(C)=CC#N;PIJBQKRQZZNLGZ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284004;MM284004;CC(=CC=O)CC=CC=O;AQCGPKMPRLFFAK-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284005;MM284005;CC(=CC=O)CC=CC#N;WGCNDOLCIWZSPN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284006;MM284006;CC(=CC#N)CC=CC=O;ONCHIZPUYVHCBO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284007;MM284007;C=CC=CCC(N)=CC=O;FDNRSLGUCGABLG-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284008;MM284008;C=CC=CCC(N)=CC#N;LEUOZDDRNFRMRI-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284009;MM284009;C=CC=C(F)CC=CC#N;PWABYBUXTWIOBF-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284010;MM284010;O=CC=CCC(F)=CC=O;WXSABIALJLXXKP-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284011;MM284011;N#CC=CCC(F)=CC=O;IFMUVPREBBVEBQ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284012;MM284012;C=CC=C(C)CC=NN=C;FPBIVCABUARDES-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284013;MM284013;C=NN=CCC(C)=CC=O;RGTKFVYGMSZDIA-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284014;MM284014;C=NN=CCC(N)=CC#N;PINRPVILKMLTFN-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284015;MM284015;C=NN=CCC(F)=CC=O;JEYHVBOWGIOVRH-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284016;MM284016;C=NN=C(C)CC=CC=O;VGSNTKDQWQNSMO-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284017;MM284017;CC(=CC#N)NC=CC#N;UBKQGQGNSBCWES-UHFFFAOYSA-N;133.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284018;MM284018;C=CC=C(C)N=CNC=O;WJSPZNAOTQKFOD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284019;MM284019;N=CNC=NC(N)=CC=O;ADRDOJZGCJFTPX-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284020;MM284020;CC=NN(CC)CCCO;GJDQSPVNPDNYIN-UHFFFAOYSA-N;144.22;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284021;MM284021;C=NN(C=NN)CCCO;UVMRPKZKABHXQM-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284022;MM284022;CC(=CC=O)NN=CC#N;JGBAIARMQWAIEO-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284023;MM284023;CC=NN(C=O)CCCO;DPATVBNLBQYCDG-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284024;MM284024;C=CC=CN=C(C)NC=N;BGOHDLTXCYRODI-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284025;MM284025;CCC(C)=C(CF)C(N)=O;WHGJOAGJJXHBDA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284026;MM284026;C=CCCC(=NN)C(N)=O;RQDYSALLRMXASG-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284027;MM284027;CC(N=CNC=N)=NC=N;CEOWIMAVJAHPET-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284028;MM284028;CC(N=CNC=O)=NC=N;TYMVMGXFFZEYQT-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284029;MM284029;C#CC(C#N)N(C=N)NC;PSDFUDMUXYFJKK-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284030;MM284030;CC(N=CNC=O)=NC=O;PGCQJHNNPSZFEL-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284031;MM284031;C=CC=NN=C(C)NC=O;LBICHPLXBHGESY-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284032;MM284032;C=NNC(C)=NN=CC#N;VSSURCZYAVUPEX-UHFFFAOYSA-N;137.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284033;MM284033;C=CC=COC(C)=CC=C;UBRVQRIWFLFVTQ-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284034;MM284034;C=CC=C(C)OC=CC=O;FSIQPUFWLSPGCR-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284035;MM284035;C=CC=C(C)OC=CC#N;AOOBXZLDMPKBQD-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284036;MM284036;C=CC=COC(C)=CC#N;VMQDGWLQRVSHLP-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284037;MM284037;CC(=CC=O)OC=CC#N;GHCYGIAERWGKQU-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284038;MM284038;C=CC=COC(N)=CC#N;WQIUAECQRFCHRK-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284039;MM284039;C=CC=C(C)OC=NN=C;RSGAJBRGUNJSGO-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284040;MM284040;C=CC=COC(C)=NN=C;BHJJQLOWIVYJFT-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284041;MM284041;C=NN=C(C)OC=CC=O;ADEDRVWPYUNVAA-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284042;MM284042;C=NN=C(C)OC=CC#N;GTZLLKHWDLVNBZ-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284043;MM284043;C=NN=COC(C)=NN=C;OCPRALRFJNCQPT-UHFFFAOYSA-N;140.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284044;MM284044;C=CC=NOC(C)=NN=C;SCLOXARUPGGQGE-UHFFFAOYSA-N;139.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284045;MM284045;C=NN=C(C)ON=CC=O;LJWODRBEYYLTBC-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284046;MM284046;C#CC=CCC(C)=CC=C;ORATWLRFBPOMHC-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284047;MM284047;C#CC=CCC(C)=CC=O;OZRLABZYLJVPFO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284048;MM284048;C#CC=CCC(C)=CC#N;FYKMPCGIJZDXNO-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284049;MM284049;C#CC=CCC(N)=CC=O;BHUXLGLVNJAWIL-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284050;MM284050;C#CC=CCC(N)=CC#N;ZUDCYQDGEFATMI-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284051;MM284051;C#CC=CCC(C)=NN=C;AANVIBRAJTZFDF-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284052;MM284052;N=CN(C=O)NCCCO;IYVNISDXPAJPMM-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284053;MM284053;O=CN(C=O)NCCCO;YYJBVTQMRQHLTP-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284054;MM284054;C#CC=CN=C(C)NC=N;LWBXGIPOOLZPIJ-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284055;MM284055;CN=C(C#N)NCCCO;YCEDWTQPFQXPDC-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284056;MM284056;N#CC1(NCCCO)CC1;AAYRYDCJPYALCP-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284057;MM284057;C#CC=COC(C)=CC=C;VQTFOUGGCIVXLE-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284058;MM284058;C#CC=COC(C)=CC=O;MNZAWLOULRSZOG-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284059;MM284059;C#CC=COC(C)=CC#N;XPTIJILGBVHEFG-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284060;MM284060;C#CC=COC(N)=CC=O;IJBPSRWTKYOWDF-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284061;MM284061;C#CC=COC(N)=CC#N;YECYYKWIDNZCEW-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284062;MM284062;C#CC=COC(C)=NN=C;KEUWPFFMEHVBBO-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284063;MM284063;C#CC=NOC(C)=NN=C;LMVBHJNRZRVPHH-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284064;MM284064;C#CC=C(C)CC=CCC;GZBKWAKAWFAVMJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284065;MM284065;C#CC=C(C)CC=CCN;NGMKSKHMJJEFKV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284066;MM284066;C#CC=C(C)CC=CCO;WEYWHDZVMNKUNO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284067;MM284067;C#CC=C(F)CC=CCO;OWVIVIDZVSQCTE-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284068;MM284068;C#CC=C(F)CC=COC;LTIUKWXUNOJYSB-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284069;MM284069;C#CC=C(C)CC=NOC;LJLWTMHOQLPMAR-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284070;MM284070;C#CC=C(F)CC=NOC;NSCQRRZIHFKJPG-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284071;MM284071;C#CC=C(C)NC=NCC;LTPRAZKEIJDQQI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284072;MM284072;C#CC=C(C)OC=CCC;UMDGKERSQXWXKY-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284073;MM284073;C#CC=C(C)OC=CCN;GNFGWXHPXGPYPG-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284074;MM284074;C#CC=C(C)OC=CCO;WZKNVRKPUZMFCC-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284075;MM284075;C#CC=C(C)OC=CCF;NAYVEWQEIJRHMT-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284076;MM284076;N=C(N)n1onc(N)c1=O;YNDSROUDWNDUAF-UHFFFAOYSA-N;143.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284077;MM284077;C#CC=C(C)OC=NOC;CCFKMYJDOBJQBU-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284078;MM284078;C#CC=C(C)CC=CC=C;YONAXHVDRNTKLG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284079;MM284079;C#CC=C(C)CC=CC=O;OEYNMPGCMARWOK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284080;MM284080;C#CC=C(C)CC=CC#N;FCGHCYBSKWDJMZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284081;MM284081;C#CC=C(C)CC=NN=C;DKVAXVIUMFLCNG-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284082;MM284082;C#CC=C(C)N=CNC=N;KFTKUZHOFTUWED-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284083;MM284083;C#CC=C(C)N=CNC=O;RPGGVGFFYCIYOW-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284084;MM284084;C#CC=C(C)OC=CC=C;NFAHGYTWPSKDIY-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284085;MM284085;C#CC=C(C)OC=CC=O;QCJZWHYQBPVRBN-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284086;MM284086;C#CC=C(C)OC=CC#N;VHBGEVSFLQWJEN-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284087;MM284087;C#CC=C(C)OC=NN=C;VMGVCNPIWQHBSO-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284088;MM284088;C#CC=CCC(C)=CC#C;QOBQQTGYUQHYTQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284089;MM284089;C#CC=COC(C)=CC#C;MLHADAAVJRVCBB-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284090;MM284090;CCC#CCC(C)=CCC;VJKQGBGGEYJDPL-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284091;MM284091;CCC=C(C)CC#CCO;OKRRUNAWZNXBJT-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284092;MM284092;CCC=C(C)CC#CCF;AGBUZHZRZKBENP-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284093;MM284093;CC(=CCN)CC#CCF;BLZJHZFPARWYAV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284094;MM284094;CC(=CCO)CC#CCF;HQHVZLWYOKYRNV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284095;MM284095;CCC#CCC(F)=CCC;VZMMWSJCZPMMDK-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284096;MM284096;CCC=C(F)CC#CCN;CDBYMTDZVXDMIK-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284097;MM284097;CCC=C(F)CC#CCO;NAQPSJAXPXVTLM-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284098;MM284098;CCC=C(F)CC#CCF;IIANWKQIBAFOID-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284099;MM284099;OCC=C(F)CC#CCF;SIJGTRYMUMVHEC-UHFFFAOYSA-N;146.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284100;MM284100;COC=C(C)CC#CCF;KSXVGMKYUQETIT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284101;MM284101;COC=C(F)CC#CCN;DYVAFZCSWQNCKX-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284102;MM284102;COC=C(F)CC#CCO;UTGIPRMCRPCJMQ-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284103;MM284103;CCC#CCC(C)=NOC;NCEOLSTZCGMJFT-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284104;MM284104;CON=C(C)CC#CCN;FCJKPFBAYPCUEX-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284105;MM284105;CON=C(C)CC#CCF;LRKBHICKOIKXPO-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284106;MM284106;C=CC#CCC(C)=CCC;XJYHUCYKUKSVSN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284107;MM284107;CCC=C(C)CC#CC#N;YUHCZATZQFIZOC-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284108;MM284108;CC(=CCO)CC#CC=O;GZGBJZYJXNQTTC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284109;MM284109;CC(=CCO)CC#CC#N;RLBBUOHTGQWMOT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284110;MM284110;CC(=CCF)CC#CC#N;OOUYGBHRKQPJAD-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284111;MM284111;C=CC#CCC(F)=CCC;YIIHJKBZHXUXAZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284112;MM284112;CCC=C(F)CC#CC=O;USXXZJYMQNLOGE-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284113;MM284113;CCC=C(F)CC#CC#N;HNAFQHBSCVQWSY-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284114;MM284114;C=CC#CCC(F)=CCN;JUBQAEOLIUPSMO-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284115;MM284115;N#CC#CCC(F)=CCO;QSTLQEXDXBPFJT-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284116;MM284116;N#CC#CCC(F)=CCF;OKKFZGAFUZKGIG-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284117;MM284117;COC=C(C)CC#CC#N;FGFTWIPZQPVHDR-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284118;MM284118;COC=C(F)CC#CC#N;RGHHQZYKMHKHES-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284119;MM284119;C=CC#CCC(C)=NOC;RABYNBNQXGQQDW-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284120;MM284120;C=CCC1NC1C(=O)NC;IQSYGBZUKFWHMJ-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284121;MM284121;C=CCN1CC1C(=O)NC;LDQJPNXQLYJXAY-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284122;MM284122;C#CC#CCC(C)=CCC;AUWAKVZAOUOKFO-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284123;MM284123;C#CC#CCC(C)=CCN;OMRZNSDJGUUWCX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284124;MM284124;C#CC#CCC(C)=CCO;ZPTCRBMSAVJHLN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284125;MM284125;C#CC#CCC(F)=CCC;RVODEOGXXBXVTQ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284126;MM284126;C#CC#CCC(F)=CCN;RUYZOOPABRDNHC-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284127;MM284127;C#CC#CCC(C)=NOC;XPPOHLKLELPXPU-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284128;MM284128;C=CC=C(C)CC#CCC;JUSIKKKZWHYJTM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284129;MM284129;C=CC=C(C)CC#CCN;SABLHZJWARNEFU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284130;MM284130;C=CC=C(C)CC#CCO;JWSXHEKMLWOXTA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284131;MM284131;C=CC=C(C)CC#CCF;KOERGCQFLFFOBS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284132;MM284132;CCC#CCC(C)=CC#N;HQYNTFYHVPZEKJ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284133;MM284133;CC(=CC=O)CC#CCO;PHMLLUPIRIDQOJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284134;MM284134;CC(=CC#N)CC#CCO;MQVPTRVVLXZBEC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284135;MM284135;CC(=CC=O)CC#CCF;PREXZWSGYMEELD-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284136;MM284136;CC(=CC#N)CC#CCF;OUXJQZKAJDGKBM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284137;MM284137;CCC#CCC(N)=CC=O;RRRKSXTUZNKBTC-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284138;MM284138;N#CCC1CN1CCCO;XYMWYJCXQQGXFR-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284139;MM284139;NC(=CC=O)CC#CCF;SYPMLTVKCGCJTI-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284140;MM284140;N#CC=C(N)CC#CCF;OFWRCBPQRBWHED-UHFFFAOYSA-N;138.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284141;MM284141;C=CC=C(F)CC#CCC;XRTSFIIMVBSOKB-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284142;MM284142;C=CC=C(F)CC#CCN;HZJKXEGSIUIZDG-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284143;MM284143;C=CC=C(F)CC#CCO;QYHROQOZOKGWNB-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284144;MM284144;C=CC=C(F)CC#CCF;NZRWXPCSEUHTSE-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284145;MM284145;CCC#CCC(F)=CC=O;YGQNTHIIGRBBTF-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284146;MM284146;O=CC=C(F)CC#CCO;YBCIYVMIDZGAHG-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284147;MM284147;N#CC=C(F)CC#CCO;AHNZMEUQJQUGAL-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284148;MM284148;N#CC=C(F)CC#CCF;XIQYMPQKPSUQOH-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284149;MM284149;C=NN=C(C)CC#CCC;PPGJJWGQBJJEMG-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284150;MM284150;C=NN=C(C)CC#CCN;GNQYWCVGUWNQJY-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284151;MM284151;C=NN=C(C)CC#CCO;XFTYIBSHVBLHFV-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284152;MM284152;C=NN=C(C)CC#CCF;QIWUVZVISHYUJV-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284153;MM284153;C=CC#CCC(C)=CC=C;ISRFZMWMOUTATE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284154;MM284154;C=CC=C(C)CC#CC=O;YXYMBXXZRSTMSW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284155;MM284155;C=CC=C(C)CC#CC#N;OYIRGLLVWBVSFC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284156;MM284156;C=CC#CCC(C)=CC#N;VFXHZLJMFSGGMK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284157;MM284157;CC(=CC=O)CC#CC#N;SNMISNISBJBBHE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284158;MM284158;C=CC#CCC(N)=CC#N;CIIPHSVTCGHYCE-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284159;MM284159;NC(=CC=O)CC#CC=O;UEZCGDSASYLGLE-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284160;MM284160;N#CC#CCC(N)=CC=O;HKEWGVANSVBEPX-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284161;MM284161;N#CC=C(N)CC#CC=O;SSIBSBYQTXXZTQ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284162;MM284162;C=CC=C(F)CC#CC=O;BRSXXNMLMMUJEO-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284163;MM284163;C=CC=C(F)CC#CC#N;ZKRMONTXNILFGE-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284164;MM284164;NN=CC(F)=CCC(=O)O;UPROYRGXDKYMPS-UHFFFAOYSA-N;146.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284165;MM284165;N#CC=C(F)CC#CC=O;UPXQAUPBJKHOEH-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284166;MM284166;C=CC#CCC(C)=NN=C;ARNCKPUNEGNBAO-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284167;MM284167;CC=CC1CN1CCCO;XWVVWQUZPLCRDW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284168;MM284168;C=NN=C(C)CC#CC#N;FVLMLODSDTVSBK-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284169;MM284169;C#CC#CCC(C)=CC=C;HOJKPAVQSJZJDP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284170;MM284170;C#CC#CCC(C)=CC#N;OLVNXLAOHIXPFD-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284171;MM284171;C#CC#CCC(N)=CC=O;KCLBEIBDCCJISK-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284172;MM284172;C#CC#CCC(N)=CC#N;FPZOTUDPJAYPHR-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284173;MM284173;C#CC#CCC(F)=CC=C;RVUQBJRNENASNX-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284174;MM284174;C#CC#CCC(F)=CC#N;BTESGTWVRBVGBZ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284175;MM284175;C#CC#CCC(C)=NN=C;BUVUSKNARBVRDJ-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284176;MM284176;C#CC=C(C)CC#CCC;UGZMEVWKQOQJLT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284177;MM284177;C#CC=C(C)CC#CCN;JTMPJAWWBOLRKO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284178;MM284178;C#CC=C(C)CC#CCO;AWQHZDMYTSRQAR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284179;MM284179;C#CC=C(C)CC#CCF;QNMUWNHQQTVPOE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284180;MM284180;C#CC=C(F)CC#CCC;AGZLJOQWPBSHPR-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284181;MM284181;C#CC=C(F)CC#CCO;JBCYCSVRUXGIOZ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284182;MM284182;C#CC=C(F)CC#CCF;BPHGXTMWUDYTHY-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284183;MM284183;C#CC=C(C)CC#CC=C;QGPMBWBDBUVMSA-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284184;MM284184;C#CC=C(C)CC#CC=O;REMZMLXUHOZOPT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284185;MM284185;C#CC=C(C)CC#CC#N;CYTBNFWXJNDNDB-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284186;MM284186;C#CC=C(F)CC#CC=C;CBGCFLBZZYLOQI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284187;MM284187;C#CC=C(F)CC#CC=O;DRAKIBPCROCKQZ-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284188;MM284188;C#CC=C(F)CC#CC#N;CTYHGULTPDWFKB-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284189;MM284189;C#CC#CCC(C)=CC#C;OHHYJXPFELSNFM-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284190;MM284190;C#CC#CCC(F)=CC#C;MKRFJVRNGFBPJS-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284191;MM284191;CCC=C(C)C=CCCC;ALCLVEJLDYZNMM-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284192;MM284192;CC=NN=CNCCCO;AHLVKWDVBGBLLG-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284193;MM284193;CCCC=CC(C)=CCN;FYQNBBRTYOQIAC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284194;MM284194;CC(C=CCCN)=CCN;HMLXDFBLINGGCV-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284195;MM284195;CC(C=CCCF)=CCN;NEJCUJQQJWAFTN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284196;MM284196;CCCC=CC(C)=CCO;SRDFQYARCLNJAG-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284197;MM284197;CCCC=CC(C)=CCF;VEHFUXTVIJGQFX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284198;MM284198;CCC=C(F)C=CCCC;YFLLIGCDIDWXCL-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284199;MM284199;CCCC=CC(F)=CCO;IMISLWMPNNBUGC-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284200;MM284200;CNCC=CC(C)=CCN;JMFQEHPMOPXZAN-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284201;MM284201;CNCC=CC(C)=CCO;KNNWWBBZGURVPB-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284202;MM284202;CNCC=CC(C)=CCF;VHVJSXTYIDMUDZ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284203;MM284203;CNCC=CC(F)=CCF;NIUDXWWGIXMSOH-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284204;MM284204;CCC=C(C)C=CCOC;TWWWSASQOQIQDO-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284205;MM284205;CCCC=CC(C)=COC;DMHKOQUWKGSJPX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284206;MM284206;COC=C(C)C=CCCN;AIYDJBXLAJCMES-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284207;MM284207;OCCCNN=CC=CF;IVMQOWRSDZSHFW-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284208;MM284208;COC=C(C)C=CCOC;LWBPDHQBFIQZKV-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284209;MM284209;CCC=C(C)C=COCC;UZEPCEZGVNJTOK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284210;MM284210;CCOC=CC(F)=CCN;ANHLLUHXNMGLED-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284211;MM284211;CCOC=CC(C)=COC;IRMVGVKTGSFGDJ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284212;MM284212;CCC=C(C)C=NNCC;LRTBOCMAUUZTCT-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284213;MM284213;CCC=C(C)C=NOCC;PQPZLRYNAHGSSE-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284214;MM284214;CCON=CC(C)=CCN;ULPYLOAPEJXGLS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284215;MM284215;CC(C)(C=NN)CCO;BLMYOTQFDOOCRI-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284216;MM284216;CCC=C(F)C=NOCC;UXFDVHNKNGMHAD-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284217;MM284217;CN(C=O)NCC(N)=O;QVOYBLIZJHHJMY-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284218;MM284218;CCON=CC(C)=COC;FGOPKSJKYHYDQM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284219;MM284219;CCON=CC(F)=COC;HJDGIQPTELKJCT-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284220;MM284220;CCN=CC=C(C)NNC;WUJYTPCFNAVQCY-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284221;MM284221;CCN=CC=C(C)NOC;PECXZWLRWQYGFT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284222;MM284222;CCOC=CC(C)=NOC;HEIDCGIFERITCJ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284223;MM284223;C=C(C)C(F)CNC=O;BEMRTVDZORHELE-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284224;MM284224;CCON=CC(C)=NOC;FZWWWXFQZFMBQH-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284225;MM284225;CCC=C(C)C=CCC=O;UXNYCGFFNWGXQC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284226;MM284226;CCC=C(C)C=CCC#N;ALICJIPRTUJCQP-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284227;MM284227;CC(C=CCC=O)=CCO;NPKGBMCXNKXFSE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284228;MM284228;CC(C=CCC=O)=CCF;KHDHYAALJWIFRW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284229;MM284229;COC=C(C)C=CCC=O;KJJVRQIAGGFRKE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284230;MM284230;COC=C(F)C=CCC#N;XSWBDIYWYAQSMI-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284231;MM284231;CCC=C(C)C=CNC=N;UOHYBCIVKVMUIB-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284232;MM284232;CCC=C(C)C=CNC=O;QRQLKEWSWHVVOQ-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284233;MM284233;CC(C=CNC=N)=CCN;CQDNLASGAGNGMP-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284234;MM284234;CC(C=CNC=O)=CCN;QGDGSBAKWSJUBB-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284235;MM284235;CC(C=CNC=N)=CCO;CMLDMPVJPFNARI-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284236;MM284236;NCC=C(F)C=CNC=O;GXUJRDPLTVCZNX-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284237;MM284237;COC=C(C)C=CNC=N;NSCOMRNFYHQGFS-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284238;MM284238;COC=C(F)C=CNC=N;IHIHCXLPGSAVFZ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284239;MM284239;C=COC=CC(C)=CCC;BFXLXJRUZKCNAT-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284240;MM284240;C=COC=CC(C)=CCN;IYANBVVJNIVDHE-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284241;MM284241;C=COC=CC(C)=CCO;ZGWYAGDTRHBJHT-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284242;MM284242;C=COC=CC(F)=CCN;FEIFMRBGFFRKLS-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284243;MM284243;C=COC=CC(C)=COC;FMJSUKWNQNUFTA-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284244;MM284244;C=COC=CC(F)=COC;UPJPLZSBRFAGOC-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284245;MM284245;NN(C=O)C=CCCO;XXKDIBJMZDBYJS-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284246;MM284246;CC(C=NNC=N)=CCN;XSIYFOGUMJFXCS-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284247;MM284247;CC(C=NNC=O)=CCN;GQAAGZBFSRNJFH-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284248;MM284248;CC(C=NNC=O)=CCO;MZELYLFJZMEBJA-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284249;MM284249;N=CNN=CC(F)=CCN;CPLACEFGHWPOLO-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284250;MM284250;NCC=C(F)C=NNC=O;JPXIQFAPPMGUDC-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284251;MM284251;CCC(F)C(C)NC=O;PTCQWZHQIILGOI-UHFFFAOYSA-N;133.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284252;MM284252;COC=C(C)C=NNC=O;BOVFATUNSNGCOC-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284253;MM284253;CCNc1cc(F)c[nH]1;GGAFDOYTAATJPZ-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284254;MM284254;COC=C(C)C=NOC=O;JDCFEUVGUIMHHT-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284255;MM284255;CC1C(=NN)C=CC1F;SZLVSIZSAFOGHJ-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284256;MM284256;CNN=C(C)C=COC=O;NVIATFGMWGELMG-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284257;MM284257;C=COC=CC(C)=NOC;CLVTVHDHCWXZRL-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284258;MM284258;CON=C(C)C=NOC=O;WASZZKWCDMVSKD-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284259;MM284259;C#CCC=CC(C)=CCN;ZBYVVQQWTMFOQS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284260;MM284260;C#CCC=CC(F)=CCC;QMKCWIGCQIZUHC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284261;MM284261;C#CCC=CC(F)=CCN;MVJWYQVEWPTZFC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284262;MM284262;C#CCC=CC(C)=COC;OVZNIRQMCAWFIN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284263;MM284263;C=CC=C(C)C=CCCC;UGMMMIQMSVDHHR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284264;MM284264;C=CC=C(C)C=CCCN;GZAOGGSBFSXWQH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284265;MM284265;CCCC=CC(C)=CC=O;CHECZDGUOQATAH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284266;MM284266;CCCC=CC(C)=CC#N;OWGXZQNDWMQCKN-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284267;MM284267;CCC1NC1C(=O)NC;DVFFHPGPQZHWRN-UHFFFAOYSA-N;128.18;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284268;MM284268;CC(C=CCCF)=CC=O;SRNHGBOTEXNATC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284269;MM284269;CCCC=CC(N)=CC=O;NFQLCUAEUSDTLP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284270;MM284270;NC(C=CCCF)=CC=O;QURQFXILHWRWDJ-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284271;MM284271;C=CC=C(F)C=CCCN;YYSFPSAZQRUXEJ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284272;MM284272;CC(C)(F)C(C)(C)NC=O;NHGHVNKAOJYYEK-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284273;MM284273;CCCC=CC(F)=CC=O;LXECNBRCNUFGCX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284274;MM284274;C=C(OC(C)(C)C)C(N)=O;WUPOEQGEXRTKOJ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284275;MM284275;C=C(CC(=O)C(=N)N)OC;HUMPNROKVBCHHT-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284276;MM284276;CNCC=CC(C)=CC=O;QAXGCMFGIZEASF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284277;MM284277;CNCC=CC(C)=CC#N;HZPRMYPUIKJBKR-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284278;MM284278;CNCC=CC(N)=CC=O;SPJDRYOAEOPFNP-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284279;MM284279;C=CC=C(F)C=CCNC;NKJTVHHKAFESNA-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284280;MM284280;CNCC=CC(F)=CC=O;QZSHDJVMGKDGBT-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284281;MM284281;CNCC=CC(F)=CC#N;OTWLJOLDCPEDIN-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284282;MM284282;C=CC=C(C)C=COCC;QRRAVFFHYWADFD-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284283;MM284283;CCOC=CC(C)=CC#N;GTPFNNDPMDPCKO-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284284;MM284284;CCOC=CC(N)=CC=O;SCMOHZRJBOFAQE-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284285;MM284285;CCOC=CC(N)=CC#N;HYCORORHGWBVOK-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284286;MM284286;CCOC=CC(F)=CC#N;MPPSCZAGDDFZJE-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284287;MM284287;CCNN=CC(C)=CC#N;KTOPWLTUWPMXQS-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284288;MM284288;CCNN=CC(F)=CC=O;ABIFHFABELNXGK-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284289;MM284289;CCNN=CC(F)=CC#N;HBJIIKAFRDUNPQ-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284290;MM284290;CCON=CC(C)=CC=O;APCRXIXYSOLLHN-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284291;MM284291;CCON=CC(C)=CC#N;JNNPYXFSJVUEDM-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284292;MM284292;C=CC=C(F)C=NOCC;PJTZYRXAIPBJSZ-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284293;MM284293;CCON=CC(F)=CC=O;IJDLKXKCMVBRCE-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284294;MM284294;C=NN=C(C)C=CCCC;IFYLDXWFYNYYGE-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284295;MM284295;C=NNC(C)=CC=NCC;ZWKZZMAYKXBBEB-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284296;MM284296;C=NN=C(C)C=COCC;JDLLKZVMGQRMGJ-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284297;MM284297;C=NN=C(C)C=NOCC;NGXBBCJBSWVYDB-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284298;MM284298;C=CC=C(C)C=CCC=C;IGCGKNNGGMWVPP-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284299;MM284299;C=CC=C(C)C=CCC=O;BVAKTTQAYNTGOO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284300;MM284300;C=CC=C(C)C=CCC#N;WARDRYBOQIXNPI-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284301;MM284301;C=CCC=CC(C)=CC=O;DCLVTJQEVPRUIT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284302;MM284302;CC(C=CCC=O)=CC=O;SDUMJOSDCGKPEK-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284303;MM284303;CC(C=CCC#N)=CC=O;RDOOQYBDKKXQJA-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284304;MM284304;C=CC=C(F)C=CCC#N;RSDPVGLWSCBEDJ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284305;MM284305;C=CCC=CC(F)=CC=O;YYPGEKDDAFDXMO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284306;MM284306;C=CC=C(C)C=CNC=O;ICGNYMBKQHIFNZ-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284307;MM284307;N#CC=C(N)C=CNC=N;ZFKJJENYDLOVFZ-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284308;MM284308;C=CC=C(F)C=CNC=N;FVVUKNDANMPWJP-UHFFFAOYSA-N;140.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284309;MM284309;N#CC=C(F)C=CNC=N;VFSQQKDZCSXXEM-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284310;MM284310;C=COC=CC(C)=CC=O;FHPYVEDXXWLWIQ-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284311;MM284311;C=COC=CC(C)=CC#N;IVCFWZTXAADHGY-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284312;MM284312;C=COC=CC(N)=CC=O;OIAHKNKKKMPZDE-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284313;MM284313;C=COC=CC(N)=CC#N;FRAMLFWMMRVYKX-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284314;MM284314;N#CC=C(F)C=COC=O;HYINIAAZFLOSOF-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284315;MM284315;C#CC(F)CC=CC(N)=O;QRQKEHXOMNLDPS-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284316;MM284316;CCOC(N)=CC(=O)NC;AHDXMKZSCUILDJ-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284317;MM284317;C=CC=C(F)C=NOC=O;MMLRQRHNVQYUKY-UHFFFAOYSA-N;143.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284318;MM284318;N#CC=C(F)C=NOC=O;PCVCHCDQIIIIQX-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284319;MM284319;C=COC=CC(C)=NN=C;VQMCILXLUAHUON-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284320;MM284320;C=NN=C(C)C=NOC=O;BGZGPWOUZCQSAY-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284321;MM284321;C#CCC=CC(C)=CC=C;HHIHGXKDZLYMNF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284322;MM284322;C#CCC=CC(C)=CC=O;NBLYFABBBCHPLT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284323;MM284323;C#CCC=CC(C)=CC#N;OPDYCUFRQLBTOS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284324;MM284324;C#CCC=CC(N)=CC#N;NFQHIWIUUOSHCL-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284325;MM284325;C#CCC=CC(F)=CC=C;DEKJHYLJTQIEAU-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284326;MM284326;C#CC=C(C)C=CCCC;FGOXOCOKJLKKAT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284327;MM284327;C#CC=C(C)C=CCCN;BPPOQLGWGNMYJV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284328;MM284328;CC(C=CCC=O)NC=O;SFIFUEHIWHFOQA-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284329;MM284329;C#CC=C(C)C=CCCF;WFTKTYXIMMLDKE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284330;MM284330;C#CC=C(F)C=CCCC;GFAVSHPRVPFOIU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284331;MM284331;C#CC=C(C)C=NOCC;SEMWANRUEYAZSA-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284332;MM284332;C#CC=C(F)C=NOCC;BVKIRDUAVJTCBK-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284333;MM284333;C#CC=C(C)C=CCC=O;GSMVCCSWOOQTFK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284334;MM284334;C#CC=C(C)C=CCC#N;FJKJITWYSUHEKE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284335;MM284335;C#CC=C(F)C=CCC#N;ZOHAITUKWOTKIJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284336;MM284336;C#CC=C(C)C=CNC=N;PHQMDGRDASFSPW-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284337;MM284337;C#CC=C(C)C=COC=C;QVDMFIDVMHYYBI-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284338;MM284338;C#CC=C(C)C=COC=O;PTZMGYJODPOCHN-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284339;MM284339;C#CC=C(F)C=NNC=O;HIEZJZBFZBRPOZ-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284340;MM284340;C#CC=C(C)C=NOC=O;VYYNOBYSUKWPCE-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284341;MM284341;C#CC=C(F)C=NOC=O;AKQGFDCVGUUWHI-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284342;MM284342;C#CC=C(C)C=CCC#C;DQWUDWIJMUQBRE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284343;MM284343;C#CC=C(F)C=CCC#C;QDMITVNRRPSVEB-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284344;MM284344;CCC=C(C)C=CC=CF;YYSATJPVPZLHMQ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284345;MM284345;CC=CC=CC(C)=CCN;BGFMKIFOESOUCC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284346;MM284346;CC(C=CC=CF)=CCN;YFTFPUJVDNXNNI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284347;MM284347;CC(C=CC=CF)=CCO;WQUOUEHCKACIEV-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284348;MM284348;CC=CC=CC(F)=CCN;OJTDJAIRGGUZOY-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284349;MM284349;CC=CC=CC(F)=CCO;POICNRQXORZBIK-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284350;MM284350;CCC=C(C)C=CC=NN;SOJQJMIAOFESDL-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284351;MM284351;CC(C=CC=NO)=CCN;WDDXVUCGGZSFQY-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284352;MM284352;CCNC(=O)C=CCCF;RMPCBAJVQQWHAT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284353;MM284353;CC(C=CC=NO)=CCO;BWEJHZVECHJRQM-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284354;MM284354;CC(C=CC=NN)=CCF;POBPQDORCBBISX-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284355;MM284355;CCC=C(F)C=CC=NN;URHICDXHHPIXQW-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284356;MM284356;COC=C(C)C=CC=NN;DMUKRVAGUPQLQI-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284357;MM284357;COC=C(C)C=CC=NO;FKEGJTBYPFYUOM-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284358;MM284358;CC=NN=CC(C)=CCC;HLMBISOIHZSBJY-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284359;MM284359;CC=NN=CC(C)=CCN;IDRQWQXYKVRXDU-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284360;MM284360;CC=NN=CC(F)=CCN;CDESJZUIXFNJFA-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284361;MM284361;CC=NN=CC(C)=COC;BYQXCHJCEQFXTI-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284362;MM284362;CC=NN=CC(F)=COC;AKQNTEDPKDJXQH-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284363;MM284363;CC=CC=CC(C)=NOC;XZINVGQCOAUZMC-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284364;MM284364;CON=C(C)C=CC=NO;ZJHVKNRMAHHTIQ-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284365;MM284365;CC=NN=CC(C)=NOC;OUHBSXLGWQTCJU-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284366;MM284366;C=CC=C(C)C=CC=CC;JXQNEJRKTHOCGQ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284367;MM284367;C=CC=C(C)C=CC=CF;IRWKLEHDYOXZIX-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284368;MM284368;CC=CC=CC(C)=CC=O;YXYKZFROJWBWHB-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284369;MM284369;CC=CC=CC(C)=CC#N;LXZFKFWZMAZUBR-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284370;MM284370;CC(C=CC=CF)=CC=O;SUAUILHVDBQOSH-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284371;MM284371;CC=CC=CC(N)=CC#N;YJAJPRSFGCSRJK-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284372;MM284372;C=CC=C(F)C=CC=CC;ASTWTAPTUUSENG-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284373;MM284373;C=CC=C(F)C=CC=CF;YLINLQILZNNFON-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284374;MM284374;CC=CC=CC(F)=CC#N;MNXWAJCQGQYTSX-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284375;MM284375;N#CC=C(F)C=CC=CF;USWLEZOFWNGYTD-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284376;MM284376;C=CC=C(C)C=CC=NN;BTMNAEWALDIJSR-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284377;MM284377;CC#CC=CC(C)NC=O;HJRJKIHOTLRPTR-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284378;MM284378;CC(C=CC=NO)=CC=O;FBEVFWNNYIBXNC-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284379;MM284379;C=CC=C(F)C=CC=NN;HPKWIJKPURRYCP-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284380;MM284380;N#CC=C(F)C=CC=NO;NWSDMHQMFQIIHW-UHFFFAOYSA-N;140.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284381;MM284381;C=CC=C(C)C=NN=CC;WVYXIDAXLKCAHH-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284382;MM284382;CC=NN=CC(C)=CC=O;HZUWBCWTIFPJMP-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284383;MM284383;CC=NN=CC(C)=CC#N;WLLIGVDOVHSRQK-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284384;MM284384;CC=NN=CC(N)=CC#N;LUCPJVPFYDPHPM-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284385;MM284385;C=CC=C(F)C=NN=CC;GOYLLPDJNQDUGE-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284386;MM284386;CC=NN=CC(F)=CC#N;AJOXKLPBAQSPON-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284387;MM284387;C=NN=C(C)C=CC=CC;JPRQXUABPLDZAW-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284388;MM284388;C=NN=C(C)C=NN=CC;XEZIISJNZADZJW-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284389;MM284389;C#CC=C(C)C=CC=CC;NFFWLLBGYUCSQR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284390;MM284390;C#CC=C(C)C=CC=CF;VNAIZKFAVMXKFE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284391;MM284391;C#CC=C(F)C=CC=CC;BTFPZDSMWSBMKZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284392;MM284392;C#CC=C(F)C=CC=CF;GCEFACNCDXXIFK-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284393;MM284393;C#CC=C(C)C=CC=NN;QLALDPPUOVUKLW-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284394;MM284394;C#CC=C(C)C=CC=NO;KMNMTAXYWZWQNE-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284395;MM284395;C#CC=C(F)C=CC=NO;CJGRDBWDOJRUEW-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284396;MM284396;C#CC=C(C)C=NN=CC;CDMDAJDEJAWUEF-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284397;MM284397;C#CC=C(F)C=NN=CC;LAAXJHROIOOXFS-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284398;MM284398;CC#CC=CC(C)=CCC;NVIZDSXHDDDUCD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284399;MM284399;CC#CC=CC(C)=CCN;PJZIAMZSXZWERO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284400;MM284400;CC#CC=CC(C)=CCO;DYDGRYAUZNILIK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284401;MM284401;CC#CC=CC(F)=CCC;PXMONMXPHWQJJD-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284402;MM284402;CC#CC=CC(C)=COC;QPJILPKAPRGKFR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284403;MM284403;C=CC=C(C)C=CC#CC;LZYGFQJZCOOUDZ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284404;MM284404;CC#CC=CC(C)=CC=O;BQQYLFKEXKXDMX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284405;MM284405;CC#CC=CC(C)=CC#N;KXPRNCVYVZIDRD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284406;MM284406;CC#CC=CC(N)=CC#N;PRESCQVDCIMFQE-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284407;MM284407;C=CC=C(F)C=CC#CC;CBJHVFCWYIUXGI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284408;MM284408;C#CC=C(C)C=CC#CC;UIDWJNXFUCONRS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284409;MM284409;C#CC=C(F)C=CC#CC;NXHFWEINCLYZCI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284410;MM284410;CCC=C(C)C#CCCC;WNLMXQOYGOWZTI-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284411;MM284411;CCC=C(C)C#CCCN;LFXCHVMODLGYAY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284412;MM284412;CCC=C(C)C#CCCO;MXUCWMQWGSRDRT-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284413;MM284413;CCC=C(C)C#CCCF;MXWRLZLOIVVPBE-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284414;MM284414;CCCC#CC(C)=CCN;RMHVEFARIJBXKA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284415;MM284415;CC(C#CCCF)=CCN;BJDQZSPNIBARKF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284416;MM284416;CCCC#CC(C)=CCO;JYAABZYBSRHMCY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284417;MM284417;CCC=C(F)C#CCCC;JGSCDVAPRMPIET-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284418;MM284418;CCC=C(F)C#CCCN;XMQLXWDLHRNBMW-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284419;MM284419;CCCC#CC(F)=CCN;GEQNJMAAXUJZPS-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284420;MM284420;NCC=C(F)C#CCCN;PHPBFFSVGFNUES-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284421;MM284421;NCCC#CC(F)=CCF;SHTHZQYFKVWZDW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284422;MM284422;CCC=C(C)C#CCNC;ZHMBYGXXCHQDLF-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284423;MM284423;CNCC#CC(C)=CCF;OUEHCFLQCMSAMY-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284424;MM284424;CNCC#CC(F)=CCN;ABJXPLOZEXWRST-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284425;MM284425;CCC=C(C)C#CCOC;XAEKJMQRHKQWPY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284426;MM284426;COCC#CC(C)=CCN;SRQMYLYXPPGJAV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284427;MM284427;COCC#CC(C)=CCO;MDDLAHMRLWVXJR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284428;MM284428;CCCC#CC(C)=COC;ONMXEYMPMOIXPN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284429;MM284429;CNCC#CC(C)=COC;PYMNSZNRAUAIGQ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284430;MM284430;COC=C(C)C#CCOC;BVFSLVSPDRUWCG-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284431;MM284431;COC=C(F)C#CCOC;HYYVRWICIQALPM-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284432;MM284432;CNCC#CC(C)=NNC;CLKZKWDXWBCJHC-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284433;MM284433;CCCC#CC(C)=NOC;JHBNXNQWVQIXNE-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284434;MM284434;CC(C=CF)C(C)NC=O;HIRWYLKYGWGTEY-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284435;MM284435;COCC#CC(C)=NOC;SVWMCBHQVYYMAY-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284436;MM284436;C=CCC#CC(C)=CCC;ITCIMMHRGOKDFJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284437;MM284437;CCC=C(C)C#CCC=O;BVQAKMMOHQRLKD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284438;MM284438;CCC=C(C)C#CCC#N;SOCHVXIBDGGALV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284439;MM284439;C=CCC#CC(C)=CCN;ASSHPIVOAMGCHH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284440;MM284440;CC(C#CCC=O)=CCO;UDIFFZYHODDKKL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284441;MM284441;CC(C#CCC=O)=CCF;GITZMRUIEICEPY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284442;MM284442;CC(C#CCC#N)=CCF;CESXLELWRJBZBG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284443;MM284443;C=CCC#CC(F)=CCC;CBIZUIWABWEWPO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284444;MM284444;CCC=C(F)C#CCC#N;ZIRAZPNFQQKOJU-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284445;MM284445;N#CCC#CC(F)=CCF;QDTDMJWRZJIYEJ-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284446;MM284446;C=CCC#CC(F)=COC;USIMNWBXVGBDAY-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284447;MM284447;COC=C(F)C#CCC#N;PRGZMSWWUCCHSS-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284448;MM284448;C=CCC#CC(C)=NNC;HIDFXIBJODRIDW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284449;MM284449;CC(=CCF)C(C)NC=O;XPXGKKZQUPPMDB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284450;MM284450;CNN=C(C)C#CCC#N;RJPLNINMMFGDAG-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284451;MM284451;C=CCC#CC(C)=NOC;GMYDWYDVBIMCMJ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284452;MM284452;C=C(C#CCCC)C(N)=O;DEOCGNAHWRBOGM-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284453;MM284453;C#CCC#CC(C)=CCC;PXZGHCLNXGXZQX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284454;MM284454;C#CCC#CC(C)=CCN;MZTJUZYFPLZDJV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284455;MM284455;C#CCC#CC(C)=CCO;JNRFZLADWXMGQD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284456;MM284456;C#CCC#CC(F)=CCC;DOGUMAWDFRTVPL-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284457;MM284457;C#CCC#CC(F)=CCO;ZRCAMKAUWKQQBT-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284458;MM284458;C#CCC#CC(F)=COC;FSNYKDDHVHWMHW-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284459;MM284459;C#CCC#CC(C)=NNC;KXZDKPNAFBMZJU-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284460;MM284460;C#CCC#CC(C)=NOC;IXRBAYYDBRGBIZ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284461;MM284461;C=CC=C(C)C#CCCC;AKORFCGSKNKZCP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284462;MM284462;C=CC=C(C)C#CCCO;ASABACRZIOWWGS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284463;MM284463;C=CC=C(C)C#CCCF;GOFXENWROBUIKC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284464;MM284464;CCCC#CC(C)=CC#N;ZNIVYKPJKFWIPN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284465;MM284465;CC(C#CCCO)=CC=O;BFIXDDFMHFCIOB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284466;MM284466;CC(C#CCCO)=CC#N;JAXJHJGYHJOMAB-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284467;MM284467;CC(C#CCCF)=CC=O;RTDIMTONBSMDGA-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284468;MM284468;CC(C#CCCF)=CC#N;CVTFNHBZPRPAAO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284469;MM284469;CCCC#CC(N)=CC=O;RPLAQZIWQDESQJ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284470;MM284470;CCCC#CC(N)=CC#N;LTLXCCOXCMNXRY-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284471;MM284471;NC(C#CCCO)=CC=O;KXODTKBNLOOXJO-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284472;MM284472;C=CC=C(F)C#CCCC;ZUSKWWHTBFOLNJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284473;MM284473;CCCC#CC(F)=CC=O;BUMIICDBBBMSGT-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284474;MM284474;CCCC#CC(F)=CC#N;OXFHHCATJMBFQP-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284475;MM284475;O=CC=C(F)C#CCCO;QWLYAXXZRCVMIJ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284476;MM284476;N#CC=C(F)C#CCCO;KAXIISLHLVLRSU-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284477;MM284477;N#CC=C(F)C#CCCF;OARVIRMUKCPBCL-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284478;MM284478;C=CC=C(C)C#CCNC;QGHORKGMDCKNLB-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284479;MM284479;C=CC=C(F)C#CCNC;DYSOPVGBUSWJON-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284480;MM284480;C=CC=C(C)C#CCOC;NWFQGNVDTBBDCB-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284481;MM284481;COCC#CC(C)=CC#N;LUWRGJQZEOIHKN-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284482;MM284482;C=CC=C(F)C#CCOC;LEYYREOIFQIEBP-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284483;MM284483;COCC#CC(F)=CC#N;LJZRKZBVFLWKKM-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284484;MM284484;C=NN=C(C)C#CCCC;PXRPDABMVAIHBY-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284485;MM284485;C=NN=C(C)C#CCCN;DTMWGGRRHWCISD-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284486;MM284486;C=NN=C(C)C#CCCF;UANGJCUOUKJISP-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284487;MM284487;C=NN=C(C)C#CCNC;LYLLKXOSQIQINR-UHFFFAOYSA-N;137.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284488;MM284488;C=NN=C(C)C#CCOC;ORNDVVLCUFEFCY-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284489;MM284489;C=CC=C(C)C#CCC=C;TXOWJIZWUUPMQK-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284490;MM284490;C=CC=C(C)C#CCC#N;YSSJXLIUINAZBM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284491;MM284491;C=CCC#CC(C)=CC=O;CBRWFJWQWDCGNC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284492;MM284492;C=CCC#CC(C)=CC#N;YMBPBLRMUQMETR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284493;MM284493;CC(C#CCC=O)=CC#N;CQXGPOOLFJBTJT-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284494;MM284494;CC(C#CCC#N)=CC=O;CHFKXLWTBIMUTB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284495;MM284495;CC(C#CCC#N)=CC#N;YAAPMOXIPNWLRW-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284496;MM284496;C=CCC#CC(N)=CC=O;TXBLGADZMRNIPV-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284497;MM284497;C=CCC#CC(N)=CC#N;MPSIPDFTZPSKSC-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284498;MM284498;N#CC=C(N)C#CCC#N;VAXVMDHRJPPRNS-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284499;MM284499;C=CC=C(F)C#CCC=C;HSJKZLRPQPXXMS-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284500;MM284500;C=CC=C(F)C#CCC=O;OWHISEHNWQOCIQ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284501;MM284501;C=CC=C(F)C#CCC#N;WIOGPCVHFFCFPH-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284502;MM284502;C=CCC#CC(F)=CC=O;RJDOTCPAMZKEOG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284503;MM284503;C=CCC#CC(F)=CC#N;OZBIDBBOJFITOK-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284504;MM284504;N#CC=C(F)C#CCC=O;UUYHDPYZBNLEHQ-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284505;MM284505;N#CCC#CC(F)=CC=O;RWNAPKYQJXKOHE-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284506;MM284506;C=CCC#CC(C)=NN=C;CABLRBSGYNFFLG-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284507;MM284507;C=NN=C(C)C#CCC=O;AQHHKSDXSCJTDD-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284508;MM284508;C=NN=C(C)C#CCC#N;UXLNVSAIGLWVBK-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284509;MM284509;C#CCC#CC(C)=CC=C;YXKWXJQGMBTDRQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284510;MM284510;C#CCC#CC(C)=CC=O;SMVKGJLGKJPIIB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284511;MM284511;C#CCC#CC(C)=CC#N;KIVAWNCQQNGXSQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284512;MM284512;C#CCC#CC(N)=CC=O;WQVGORZJPBZDDK-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284513;MM284513;C#CCC#CC(F)=CC=C;HAFAMHXWJBRMAV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284514;MM284514;C#CCC#CC(F)=CC=O;VOUMNIKMFSTFCM-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284515;MM284515;C#CCC#CC(F)=CC#N;OEBJIUNWNGEHTP-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284516;MM284516;C#CCC#CC(C)=NN=C;GSADKVRTUBXYRB-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284517;MM284517;C#CC=C(C)C#CCCC;IWXXHBZCKWOHLP-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284518;MM284518;C#CC=C(C)C#CCCO;BKYDHZLIDHRMAH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284519;MM284519;C#CC=C(C)C#CCCF;XCYUCDLFYZZMPS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284520;MM284520;C#CC=C(F)C#CCCC;QEHBXSOJSQOHBZ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284521;MM284521;C#CC=C(F)C#CCCN;SWMKXRUXEQMDLK-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284522;MM284522;C#CC=C(F)C#CCCO;NOVJUJCLVSJOCS-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284523;MM284523;C#CC=C(C)C#CCNC;VMSNJTICDKDTGZ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284524;MM284524;C#CC=C(C)C#CCOC;SZJOYMIGEWHGHD-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284525;MM284525;C#CC=C(F)C#CCOC;YDBOUKKEPQDSBK-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284526;MM284526;C#CC=C(C)C#CCC=C;GINDABNBFZJUCE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284527;MM284527;C#CC=C(C)C#CCC=O;WTMAISBWEWCSDS-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284528;MM284528;C#CC=C(C)C#CCC#N;OMNSRGJMLUOTIT-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284529;MM284529;C#CC=C(F)C#CCC=C;IMSFTGZOLMZSOV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284530;MM284530;C#CC=C(F)C#CCC=O;UKEACGIWIFXORM-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284531;MM284531;C#CC=C(F)C#CCC#N;DFDCAIABHXZPDO-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284532;MM284532;C#CC=C(C)C#CCC#C;NXRWSRFNIDCULR-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284533;MM284533;C#CC=C(F)C#CCC#C;MTTZOYBTKGITNG-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284534;MM284534;CC=CC#CC(C)=CCC;BREFZFWCYCHTFK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284535;MM284535;CC=CC#CC(C)=CCN;BWFHKHVXIAVQOO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284536;MM284536;CC(C#CC=CF)=CCN;VLXAAUMKADWZCG-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284537;MM284537;CCC=C(C)C#CC=NN;UGFFICKDUQURIK-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284538;MM284538;CCC=C(C)C#CC=NO;LSFPMRVSBBJNHI-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284539;MM284539;CC(C#CC=NN)=CCF;OZCSVHQDALRNLV-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284540;MM284540;OCC=C(F)C#CC=NO;OCNIEGUYRWJUOM-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284541;MM284541;CC=CC#CC(C)=COC;TWVFQJNVHMQCNL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284542;MM284542;COC=C(C)C#CC=NN;WEVKVGXTQLMSLQ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284543;MM284543;COC=C(C)C#CC=NO;IFWGBFNYNPVVCN-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284544;MM284544;COC=C(F)C#CC=NN;VBWRMHGLWMKHQC-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284545;MM284545;COC=C(F)C#CC=NO;BKBSLAGZNXIJEW-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284546;MM284546;CC=CC#CC(C)=NOC;VHZVOYYDDPHLNQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284547;MM284547;CON=C(C)C#CC=CF;NEKDPMJBJSQMHB-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284548;MM284548;CON=C(C)C#CC=NN;RADTYBVTDWXKJC-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284549;MM284549;CON=C(C)C#CC=NO;TUFWFJCFZMCMBX-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284550;MM284550;C=CC=C(C)C#CC=CC;JFDSHWCOBNEDLM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284551;MM284551;C=CC=C(C)C#CC=CF;CCFISHNAUSPYOX-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284552;MM284552;CC=CC#CC(C)=CC#N;YNUQHWWCOVOQRY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284553;MM284553;CC(C#CC=CF)=CC=O;SDOVIZBSKASWTI-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284554;MM284554;CC(C#CC=CF)=CC#N;CVVUCTDHTFBCQS-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284555;MM284555;CC=CC#CC(N)=CC=O;NXFUATCWBCDCAX-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284556;MM284556;CC=CC#CC(N)=CC#N;GDWQVYFDUYOGHZ-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284557;MM284557;NC(C#CC=CF)=CC=O;AQGVPWSATAUZBX-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284558;MM284558;N#CC=C(N)C#CC=CF;AVOISNCMKCLQNP-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284559;MM284559;C=CC=C(F)C#CC=CC;YXUUUVJLRPGQEU-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284560;MM284560;CC=CC#CC(F)=CC=O;BDXGWFJCBUVONG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284561;MM284561;CC=CC#CC(F)=CC#N;XQGGBGFDXOIFBA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284562;MM284562;C=CC=C(C)C#CC=NN;UNHWKNWTDDYZEF-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284563;MM284563;C=CC=C(C)C#CC=NO;PBWAUTBOGGVHFC-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284564;MM284564;CC(C#CC=NO)=CC#N;QNZVEFJZXKFXQF-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284565;MM284565;NC(C#CC=NO)=CC=O;VPENXSKDEJXJIY-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284566;MM284566;C=CC=C(F)C#CC=NN;JXBGSSATRAGMKP-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284567;MM284567;O=CC=C(F)C#CC=NO;BPSOFIWSEGUVJI-UHFFFAOYSA-N;141.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284568;MM284568;C=NN=C(C)C#CC=CC;KJMMHGQNJGXGAJ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284569;MM284569;C=NN=C(C)C#CC=NN;MPPKVVIHIOGVNC-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284570;MM284570;C=NN=C(C)C#CC=NO;FOTGKPHLZHXTEQ-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284571;MM284571;C#CC=C(C)C#CC=CC;PHRMWEPLBDCWGN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284572;MM284572;C#CC=C(C)C#CC=CF;NTNUBROYWLBXDT-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284573;MM284573;C#CC=C(F)C#CC=CC;ZXRLIKGRWSIETE-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284574;MM284574;C#CC=C(C)C#CC=NN;WQGXSKUKROAYQE-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284575;MM284575;C#CC=C(C)C#CC=NO;JOVGPQBRJFHRHG-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284576;MM284576;C#CC=C(F)C#CC=NO;SMXHFHYCYXGYKZ-UHFFFAOYSA-N;137.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284577;MM284577;CC#CC#CC(C)=CCC;CLACOYWGWUYQRR-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284578;MM284578;CC#CC#CC(C)=CCN;TTWKRWADBMUYCG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284579;MM284579;CC#CC#CC(C)=CCO;OCTSALXVCOKFRK-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284580;MM284580;CC#CC#CC(F)=CCC;FAJCDICMAWUKOD-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284581;MM284581;CC#CC#CC(F)=CCN;DZHWFOIYUVORLJ-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284582;MM284582;CC#CC#CC(F)=CCO;RJARCDXBNJWPMW-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284583;MM284583;CC#CC#CC(F)=CCF;HXCBZHIPQDWWBW-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284584;MM284584;CC#CC#CC(C)=COC;CDCMQIRAVYRICB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284585;MM284585;CC#CC#CC(F)=COC;UBZSYFFKLOJUAY-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284586;MM284586;CC#CC#CC(C)=NNC;BCVKUDQSBOXGSV-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284587;MM284587;CC#CC#CC(C)=NOC;FOHASBPGCJVMCB-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284588;MM284588;C=CC=C(C)C#CC#CC;AEFDTHSUNXIZHS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284589;MM284589;CC#CC#CC(C)=CC=O;UVFQVJDEFGSFKX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284590;MM284590;CC#CC#CC(C)=CC#N;FQDSGTLMWGICKI-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284591;MM284591;CC#CC#CC(N)=CC=O;FCACIXYQLPBMPU-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284592;MM284592;CC#CC#CC(N)=CC#N;WWYQCWATUIGAHM-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284593;MM284593;C=CC=C(F)C#CC#CC;OXACBIKMVQTZSL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284594;MM284594;CC#CC#CC(F)=CC=O;XCDDCLPMONKDDK-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284595;MM284595;CC#CC#CC(F)=CC#N;QSRYNFQFGYHKEW-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284596;MM284596;C=NN=C(C)C#CC#CC;ONZPVGKTTLGWIJ-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284597;MM284597;C#CC=C(C)C#CC#CC;IZRUXUUMDBVHCI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284598;MM284598;C#CC=C(F)C#CC#CC;NLBJSCHARDYIBQ-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284599;MM284599;CCCCC=C(C)CCC;VHLDUDJLFKAZEF-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284600;MM284600;CCCC(C)=CCCCN;IFKCZOBJCOJPIV-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284601;MM284601;CCCC(C)=CCCCF;DEAAESCAKFHJKM-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284602;MM284602;CCCCC=C(C)CCN;DQPUBOZTWFXXSX-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284603;MM284603;CC(=CCCCN)CCN;SKDWGCACZXWXFG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284604;MM284604;CC(=CCCCO)CCN;RUACWUKVAIYNDI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284605;MM284605;C=C(C(N)=O)C(F)CCC;RTEMROSJFKILTE-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284606;MM284606;CCCCC=C(F)CCC;VFEXCHLMCOUVAX-UHFFFAOYSA-N;144.23;3.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284607;MM284607;CC=CC(CCF)NC=O;HXLOFIWHVCATCS-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284608;MM284608;NCCCC=C(F)CCN;NEPFIXYIRMDZFY-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284609;MM284609;NCCC(F)=CCCCF;FCANPMOVECDWJD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284610;MM284610;CNCCC=C(C)CCN;CUHIKCSGJIKNRB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284611;MM284611;CNCCC=C(C)CCF;NEXBOUWMYKMCJL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284612;MM284612;CNCCC=C(F)CCF;KLMKABHYTWCHMZ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284613;MM284613;CCCC(C)=CCCOC;HTKSIGHPVGCQCK-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284614;MM284614;COCCC=C(C)CCN;KISLGHVXDIXEDK-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284615;MM284615;CCCCC=C(C)CNC;RSOFMBQVCWRIIB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284616;MM284616;CNCC(C)=CCCCO;WVAIGTNDOJEFFQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284617;MM284617;CNCC(C)=CCCCF;NFGQPFQBAMNJII-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284618;MM284618;CNCC(C)=CCCOC;YUUJFFOLUOUTHM-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284619;MM284619;CNCCC=C(C)COC;YCDPPMNJJYSKRO-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284620;MM284620;CCNCC=C(C)CCN;RMJGJEQTGACCRY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284621;MM284621;CCNCC=C(C)CCF;UXGRINGQEBWQMM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284622;MM284622;CCNCC=C(C)COC;WGCQGDROKRXHMB-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284623;MM284623;CCCC(C)=CCOCC;GFCZWAYFEZSCRW-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284624;MM284624;CCCOC=C(C)CCC;VAXOGWZCCBHEBG-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284625;MM284625;CCCC(C)=COCCN;DOVXNLSNBFWHAQ-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284626;MM284626;CCCC(C)=COCCO;FPLZLIVSZBVDEJ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284627;MM284627;CC(=COCCO)CCN;JRWGXDZCLYPRNG-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284628;MM284628;CCCOC=C(C)CCO;XFRIMBQFYKIEIZ-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284629;MM284629;CC(=COCCN)CCO;IFECELQTUVTERH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284630;MM284630;CC(=COCCN)CCF;YOWOIPQBCCUFMZ-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284631;MM284631;CCCOC=C(F)CCC;CFWHYSMUWSGZLZ-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284632;MM284632;CCCC(F)=COCCN;MYNAIQOEBAWDJF-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284633;MM284633;CCCOC=C(F)CCO;YCTPORWNGYRMJB-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284634;MM284634;CCCC(C)=COCOC;UOOCZTPFBNVAPC-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284635;MM284635;COCOC=C(C)COC;UUYQXDXKIDOXSN-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284636;MM284636;NN=CC(CCO)C(F)F;GGWKBDGDLDLJQM-UHFFFAOYSA-N;152.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284637;MM284637;CCOC(C)=CCCOC;HLFUOXJWCNBVJA-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284638;MM284638;CCOCC=C(C)OCC;HEANDEMLERGZIQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284639;MM284639;CCCOC=C(C)OCC;HCFBZFSBLHJRSY-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284640;MM284640;CCOC(C)=COCCN;RGEXHTCTCXETRJ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284641;MM284641;CCOC(C)=COCCO;GNJNMACMBCZKTN-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284642;MM284642;CCOC(C)=COCOC;VEUPOSLAFQPDEQ-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284643;MM284643;CCCNN=C(C)CCC;LIEUHWOKQDXFHW-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284644;MM284644;C=CC(F)(C=C)CNC=O;BPUZRZPWMGDKKU-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284645;MM284645;CCCC(C)=NNCCF;WWXDNXMUKPZDFS-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284646;MM284646;CC(CCN)=NNCCN;RCCQCIQLYHRZOV-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284647;MM284647;CC(=CCCO)OC=NN;CRLGKEMQAHVHHY-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284648;MM284648;CC(CCO)=NNCCN;OCKOYWHGURKSQU-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284649;MM284649;C=NN=CCCC(=O)NC;PDWNYWBSLIHJCO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284650;MM284650;CON=CNCC(=O)C#N;HPYIVIHCPCWFLL-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284651;MM284651;CCCNN=C(C)CCF;KIUKLNGEWAHWQX-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284652;MM284652;CNCC(C)=NNCCN;IYGTUSAGNHRSOD-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284653;MM284653;N#CC(=N)NC=CCCO;IMQDHELWTVTXCG-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284654;MM284654;CNC(=O)C=CC=CCF;OOJVRJKEIUUZQP-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284655;MM284655;CC(CCN)=NOCCN;VSLJVVZKGAANKS-UHFFFAOYSA-N;145.21;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284656;MM284656;CC(CCN)=NOCCF;VEPPWSOOUODEBP-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284657;MM284657;C=CC(CCO)C(C)=NN;VZPIZLRJTNZYDY-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284658;MM284658;C=CC(C=NOC)CCO;YQIOBBIOFUJCLS-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284659;MM284659;CCOC(C)=NOCOC;UWJFYTQRURTEPW-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284660;MM284660;C=CCCC=C(C)CCC;YLISRSAMFVLQBJ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284661;MM284661;CCCC(C)=CCCC=O;YXZVEADLGVMYJB-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284662;MM284662;CCCC(C)=CCCC#N;LKUHIJVQSRTXFC-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284663;MM284663;C=CCCC=C(C)CCN;ODVSIYQAYBTGKB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284664;MM284664;C=CCCC=C(F)CCN;RGLBGQAGEFHRCQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284665;MM284665;C=CCCC=C(C)CNC;YYZUTNISCWKXGP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284666;MM284666;CNCC(C)=CCCC=O;UQVPCMJKUHAQIF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284667;MM284667;CCCC(C)=CCNC=N;BURBSOWETKJCKA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284668;MM284668;CC(=CCNC=N)CCO;VKYKTHSTCGOQRW-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284669;MM284669;CCCC(F)=CCNC=N;LAEUULZKTCLICF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284670;MM284670;C=NNCC=C(C)CCC;CCVPZQRVPQRHRX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284671;MM284671;C=NNCC=C(C)CCF;OPPVGSXWYJKPIN-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284672;MM284672;CNCC(C)=CCNC=N;VEORIPLEKBNFBD-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284673;MM284673;CNCC(C)=CCNC=O;SSSJLNMOARIJMR-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284674;MM284674;C=NNCC=C(C)COC;PNRGWMRODOGEEJ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284675;MM284675;C=COCC=C(C)CCC;FWNCYMGTFDBOAL-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284676;MM284676;N=CN(C=O)C=CCCO;QHDTWLLYYGERHY-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284677;MM284677;CC=C(CF)C(C)NC=O;BENVZXSKXOELRX-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284678;MM284678;CCCC(F)=CCOC=O;IHYNOOOBYNZOFN-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284679;MM284679;NCCC(F)=CCOC=O;IZAPHIWQYKASME-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284680;MM284680;O=COCC=C(F)CCF;WBLYTTORTBXVPA-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284681;MM284681;C=COCC=C(C)CNC;YELFHZLZXSWJPJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284682;MM284682;C=CCOC=C(C)CCC;PQLPHJMPAMFWOV-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284683;MM284683;CCCC(C)=COCC=O;DYGKVXXDYZDLAT-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284684;MM284684;C=CCOC=C(C)CCN;JLPXCMQYQPBLBV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284685;MM284685;C=CCOC=C(C)CCO;PIVHLNMKSXPNBL-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284686;MM284686;CC(=COCC=O)CCO;JWBXFINRUAYXCZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284687;MM284687;CC(=COCC=O)CCF;VFXWQTYOLIYWPA-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284688;MM284688;C=CCOC=C(F)CCC;DWWWTWXQWMTGSJ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284689;MM284689;CCCC(F)=COCC#N;VLHKRZZBUSLNOA-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284690;MM284690;C=CCOC=C(F)CCO;FOZUNIZJHRIDKV-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284691;MM284691;O=CCOC=C(F)CCO;SAAPGXAVKNHSAG-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284692;MM284692;C=CCOC=C(C)CNC;YKIJYJHRUJMOEO-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284693;MM284693;CCOC(C)=CCCC#N;UZGJKBCZXBGTGD-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284694;MM284694;CCOC(C)=CCNC=N;ZUQXUAYUBWOVTJ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284695;MM284695;CON=COC=CCCO;ZIVWPWKDHUTSES-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284696;MM284696;C=CCOC=C(C)OCC;VWXOILQJVDPOSB-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284697;MM284697;CCOC(C)=COCC#N;KSVAVOCUXJXEDB-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284698;MM284698;C=CCNN=C(C)CCC;TZRTUYJLCSBPCW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284699;MM284699;C=NNC=NC=CCCO;QWWQPKHIJBUXBC-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284700;MM284700;C#CC1C(=O)C(C=C)N1C;JYVBKZOOOGQNPA-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284701;MM284701;C=NOCC(=O)COC;OQIVSMBQFNXIBI-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284702;MM284702;CNCC(C)=NOCC#N;OELTVFLYZCKTPU-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284703;MM284703;C=CCON=C(C)COC;ZLCOSPWNBQZKNP-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284704;MM284704;C#CC=C(C)CNC=O;RVPHFSMSNJPVLM-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284705;MM284705;CCC(C=NN)CCO;GRMSFPODJDDXOJ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284706;MM284706;N=Cn1cc(F)c(N)n1;ULUHCAJVHLDKNB-UHFFFAOYSA-N;128.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284707;MM284707;CCOC(C)=NOCC#N;UXLRNKYPYVVCEO-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284708;MM284708;C#CCCC=C(C)CCC;YJZLERFSKQTTKC-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284709;MM284709;C#CCCC=C(C)CNC;NXSWNTMESLDBOB-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284710;MM284710;C#CCOC=C(C)CCC;JNXKCOFFHCMBJB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284711;MM284711;C#CCOC=C(C)CCN;DQTOXOPWHLULAC-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284712;MM284712;C#CCOC=C(C)CCO;NVLWZWFDRHXYPI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284713;MM284713;C#CCCC=C(C)OCC;ABHSANAGUWFODO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284714;MM284714;C#CCOC=C(C)OCC;AGNNADNPVWYGPF-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284715;MM284715;C#CCNN=C(C)CCC;ZPMFTLGAWPDQTJ-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284716;MM284716;C#CCON=C(C)CCC;FHCQFHRQYRZYMO-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284717;MM284717;C#CCON=C(C)CCN;VNRWQYSAMCZGMT-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284718;MM284718;C#CCON=C(C)COC;PAWDCFYXVGVSAN-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284719;MM284719;C#CCON=C(C)OCC;FBUDYQBNRHQOMN-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284720;MM284720;C=CCC(C)=CCCCC;KKCUYUPUJWZZBX-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284721;MM284721;C=CCC(C)=CCCCN;RQSLUJBWEQBBMO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284722;MM284722;CNC1=NC(C)C(=O)O1;OSSZXEIBPWKFHS-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284723;MM284723;CCCCC=C(C)CC=O;AVMLALPUKHCETQ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284724;MM284724;CCCCC=C(C)CC#N;KDWDNADMPHKAND-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284725;MM284725;C#CC1CC(NC=O)C1;WXWFXCONFLYPSL-UHFFFAOYSA-N;123.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284726;MM284726;CC(=CCCCF)CC=O;RXRIHIGYBXZZSZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284727;MM284727;CC(=CCCCF)CC#N;IALFNHWHAKOQBH-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284728;MM284728;C=CCC(F)=CCCCN;XXHRULCZZZZZMT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284729;MM284729;CCc1onc(N)c1N;FDNSQSQUJLFGPU-UHFFFAOYSA-N;127.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284730;MM284730;CCCCC=C(F)CC#N;LHCOEDQPDZRMII-UHFFFAOYSA-N;141.19;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284731;MM284731;O=CCC(F)=CCCCO;IPKDYWHLXSNXAL-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284732;MM284732;C#CCC1CC1NC=O;UEQXFRGUPUWUOG-UHFFFAOYSA-N;123.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284733;MM284733;O=CCC(F)=CCCCF;MLLJTEUBCNHDGI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284734;MM284734;C=CCC(C)=CCCNC;JIEZYXYXKKVDEC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284735;MM284735;CNCCC=C(C)CC=O;YLIPVTNQTWSLQN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284736;MM284736;CNCCC=C(C)CC#N;JZUJNVZAZCNEGU-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284737;MM284737;C=CCC(F)=CCCNC;SLWXBMJFRCDQDY-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284738;MM284738;CNCCC=C(F)CC=O;SHQKNMKWKKARGE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284739;MM284739;C=CCC(C)=CCCOC;APKYQUAUMIZCAN-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284740;MM284740;COCCC=C(C)CC=O;QLXQZEDHAXSCSO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284741;MM284741;COCCC=C(F)CC#N;FIMCTPYKSMFWKY-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284742;MM284742;C=CCC(C)=CCNCC;GMTLTYQKFDKJCN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284743;MM284743;CCNCC=C(C)CC=O;VVURUKFYGAWIHO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284744;MM284744;CCNCC=C(C)CC#N;OUTXNTVRRCJKFL-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284745;MM284745;CCNCC=C(F)CC=O;ARAWGLCJXGVOBB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284746;MM284746;CCOCC=C(C)CC#N;RKFLVJWBWXVZFU-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284747;MM284747;C=CCC(C)=COCCN;GCKWUNMFQNBKLK-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284748;MM284748;C=CCC(C)=COCCO;ZWUWXALEYUTUFY-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284749;MM284749;CCCOC=C(C)CC=O;IVIUVIUKQBRHRU-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284750;MM284750;CCCOC=C(C)CC#N;KZVOYJLXVLSXTL-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284751;MM284751;CC(=COCCO)CC=O;FSJXWCWQWJFXTG-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284752;MM284752;C=CCC(F)=COCCN;MVLDJGTWNUUQRW-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284753;MM284753;CCCOC=C(F)CC#N;HMFQWMOMROLSFF-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284754;MM284754;C=CCC(C)=COCOC;IKEVOLYSEDXXDY-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284755;MM284755;C=CCC(F)=COCOC;VBHAADZRDZAMDH-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284756;MM284756;COCOC=C(F)CC#N;DKUYKSAVPIEKOW-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284757;MM284757;CCCCC=C(C)NC=N;QUFCLWZDYNCJTB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284758;MM284758;CC(=CCCCF)NC=N;KOZSEEVVWDKEIJ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284759;MM284759;CCCCC=C(C)NC=O;RNGBRSOPBIKTTM-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284760;MM284760;CC(=CCCCF)NC=O;ZAUBAZUALKPLLT-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284761;MM284761;CNCCC=C(C)NC=N;LXSDKPLADAGZEP-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284762;MM284762;CCOCC=C(C)NC=N;GISJDOCLQHAYQU-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284763;MM284763;CCCOC=C(C)NC=N;ITFAOAZRSXHWGU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284764;MM284764;CC(=COCCN)NC=N;FINLOTVOCTZMJM-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284765;MM284765;CC(=COCCO)NC=N;VJAJDFPGSOSEDY-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284766;MM284766;CC(=COCCF)NC=N;MPWBJHIGVIFJGW-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284767;MM284767;C=COC(C)=CCCCC;ZDYIBCNJYAHWSK-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284768;MM284768;CC(=CCCCN)OC=O;QRMPVQFMEZGRIP-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284769;MM284769;CC(=CCCCF)OC=O;IZXPSKCSEBQVHS-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284770;MM284770;C=COC(C)=CCCOC;MFCDTOVOAHHKSQ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284771;MM284771;CCNCC=C(C)OC=O;QKYMWGAACXIHTK-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284772;MM284772;C=COC(C)=CCOCC;JAVUMSMVDBDOCP-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284773;MM284773;C=COC(C)=COCCN;NOONXKOTSVQADX-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284774;MM284774;C=COC(C)=COCCO;XGTYMECOAHIACU-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284775;MM284775;CC(=COCCN)OC=O;SEUCDWPVSIGEBL-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284776;MM284776;CC(=COCCO)OC=O;ARJLPVPXHJIZAR-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284777;MM284777;C=COC(C)=COCOC;JBBKKWNMOFOLDB-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284778;MM284778;C=CCC(C)=NNCCC;BTHIMGFXTNWHIX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284779;MM284779;CCC(C)(NC=O)C(C)F;JKJFTJHDKIWEPL-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284780;MM284780;CC(F)=CCC(C)NC=O;DKKYRMOMNROMRP-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284781;MM284781;C=C(C(N)=O)C(=O)N(C)C;GDPCTGIKZGJWED-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284782;MM284782;C=CCC(C)=NOCCN;KBZABSIWNOCMPL-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284783;MM284783;CN(CC=O)N=C(N)C#N;IKIOGSGZHBCPTA-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284784;MM284784;CC(CC#N)=NOCCO;WGYIYGGVLNONJB-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284785;MM284785;CNC(=O)C(C)=CC(C)F;FCSWHLIULJLWHP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284786;MM284786;C=CNC(C)=NCCCC;ZTMPJUKCGVSDMX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284787;MM284787;C=CNC(C)=NCCOC;CNZLMEGPLKBIDM-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284788;MM284788;C#CC(=CC(N)=O)CCO;KLRSDYVLTJSBED-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284789;MM284789;C=CNC(C)=NNCCO;ROJLVUGOWUYMCG-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284790;MM284790;C=NOC=NN(C)CC=O;GDTLLVHIXDHFJI-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284791;MM284791;C=C(CCF)C(C)NC=O;BBBNZEUGXWXVDR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284792;MM284792;CNN=C(C)C(C)CCO;CCCFYCJTPRXJBX-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284793;MM284793;CON=C(C)C(C)CCO;CNNQZVDJHAWQHR-UHFFFAOYSA-N;145.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284794;MM284794;C=COC(C)=NOCCC;VIYBJLBUWOIWJY-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284795;MM284795;C=COC(C)=NOCCF;KMTOWDIMARCQGH-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284796;MM284796;CC(=NOCCN)OC=O;FNQCMPUMRJUCIF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284797;MM284797;C=COC(C)=NOCOC;JIIGMEXPCPIJJY-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284798;MM284798;C=NOC(C)=NOCCN;VHBLQPLFWXOONS-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284799;MM284799;C=CCC(C)=CCCC#N;RKVANTGJSIRDEE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284800;MM284800;C=CCCC=C(C)CC=O;OUBIUZZQAIPTQT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284801;MM284801;CC(=CCCC#N)CC#N;XQFQISBITCGRCZ-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284802;MM284802;C=CCC(F)=CCCC=O;ONPXZPKXMWBMMZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284803;MM284803;C=CCCC=C(F)CC=O;FCNDABOWWJYMHY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284804;MM284804;C=NN=C(C)C(C)CCO;WTMDMLXIKFQKJW-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284805;MM284805;CC(=CCNC=O)CC#N;QFVQLCSFFUNSOP-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284806;MM284806;C=CCC(F)=CCNC=O;HFKCIJJJWKKBHZ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284807;MM284807;N#CCC(F)=CCNC=O;GMFKGNUZCWCPGG-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284808;MM284808;C=CCC(C)=CCNN=C;QRNCLXVLFLXMMQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284809;MM284809;C=CCC(C)=CCOC=C;PNTSPCWYYIXMMK-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284810;MM284810;C=COCC=C(C)CC=O;ZJHZPBKICAUPAM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284811;MM284811;C=COCC=C(C)CC#N;DMECXSMSLNIVTK-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284812;MM284812;C=CCC(F)=CCOC=O;JNCARQBOJJSMTI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284813;MM284813;C=COCC=C(F)CC=O;NRBVWQZEZRGUFY-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284814;MM284814;O=CCC(F)=CCOC=O;NJXWFUSVXJMSEW-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284815;MM284815;C=CCOC=C(C)CC=C;MKNMGEJYTIKJSP-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284816;MM284816;C=CCC(C)=COCC=O;HAGQLUGFPIAIIT-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284817;MM284817;C=CCC(C)=COCC#N;AJKIEGSWNYDBOL-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284818;MM284818;C=CCOC=C(C)CC=O;YNYLSUZBFXKQJH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284819;MM284819;C=CCOC=C(C)CC#N;OZDWDTXRUHMIMV-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284820;MM284820;C=CCOC=C(F)CC=O;ZTLCXCXPIVOBGB-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284821;MM284821;N#CCC(F)=COCC=O;HTQVCEMEWPADSZ-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284822;MM284822;CC(=CCCC=O)N=CN;YVSYRJJEVJIOCE-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284823;MM284823;C=CCCC=C(C)NC=O;JXIVVTZMEXERQN-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284824;MM284824;CC(=CCNC=N)NC=N;RLTKYVIAJRTFCD-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284825;MM284825;CC(=CCNC=N)NC=O;DQXUUIOPMPNMLA-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284826;MM284826;C=NNCC=C(C)NC=N;XCILCYJNEVCPNN-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284827;MM284827;C=CCOC=C(C)NC=N;UPUHLNHZMONKTC-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284828;MM284828;C=COC(C)=CCCC=O;KRMUYGFUAUJWIE-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284829;MM284829;CC(=CCCC=O)OC=O;XKXWBNVMYDXMMK-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284830;MM284830;C=CCC(C=NN)CCO;JUWHLCAIMVMZJI-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284831;MM284831;CC(=CCNC=N)OC=O;WFVZSGKVVJKMSJ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284832;MM284832;C=NNCC=C(C)OC=O;ADTQSQPTAMXUGW-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284833;MM284833;C=COCC=C(C)OC=C;BPKBQDUTJKHBPI-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284834;MM284834;C=COC(C)=CCON=C;MGKBNKSZSDOZDJ-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284835;MM284835;C=COC(C)=COCC#N;VSNQDFSLGDIKIR-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284836;MM284836;C=CCC(NC=O)C(C)F;DINGPDJJYOBULH-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284837;MM284837;CCNC(=CC=O)C(N)=O;ILOXKPLFKVTUFF-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284838;MM284838;CNC(=O)C(C)=C(C)CF;CSSBNRRXIVOSDB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284839;MM284839;NN=COC(=O)CCCO;ZRLNXHNUEOZGOC-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284840;MM284840;C=CCON=C(C)CC=C;IHAJNKUCMHWZKA-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284841;MM284841;C=CCCN=C(C)NC=C;JBKKVWSGVOQLEU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284842;MM284842;C=CNC(C)=NCCC#N;CHFVXRWLRHRJLT-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284843;MM284843;C=CC(F)C=CCNC=O;LHDWPQFYZUWDRY-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284844;MM284844;CCC#CC=CC(=O)NC;LWAQERPHEJWNBF-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284845;MM284845;C=CCON=C(C)OC=C;IVSHIWQFMULPOU-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284846;MM284846;C=COC(C)=NOCC#N;DOHUGOOQHWONIU-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284847;MM284847;C=CC(CCO)CON=C;NLZKNMBBMHVFNW-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284848;MM284848;C=NNC(C#N)C#CCC;APMANWBFXTYKHB-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284849;MM284849;C#CCCC=C(C)CC=C;IHIZWVHIVJAJIB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284850;MM284850;C#CCCC=C(C)CC=O;HRYKNWUBXWWVDD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284851;MM284851;C#CCCC=C(C)CC#N;GZMWUCCFESAYFG-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284852;MM284852;C#CCCC=C(F)CC=O;MRUUUDXPJUCHKX-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284853;MM284853;C#CCCC=C(F)CC#N;GGTXDZLEAODQOE-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284854;MM284854;C#CCOC=C(C)CC=C;DNTDGKMBGAXRNC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284855;MM284855;C#CCOC=C(C)CC=O;XUXNTMSJZPZFLN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284856;MM284856;C#CCOC=C(C)OC=C;SVSXCDCFKXMDNS-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284857;MM284857;C#CCON=C(C)CC#N;GPWBRPDWDBUHQX-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284858;MM284858;C#CCCN=C(C)NC=C;LTASYSIQBOUDLA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284859;MM284859;C#CCNN=C(C)NC=C;MVCUHVFVFCIEHM-UHFFFAOYSA-N;137.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284860;MM284860;C#CCON=C(C)OC=C;LJFKOKVKQFJWFN-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284861;MM284861;C#CCON=C(C)OC=O;BCZJFUKMBDVDOO-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284862;MM284862;C#CCON=C(C)ON=C;ZFUCFRGJZMISAQ-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284863;MM284863;C#CCC(C)=CCCCC;YWEKAXZFNMIQCN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284864;MM284864;C#CCC(C)=CCCCN;CIJKJDKMBYXLKX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284865;MM284865;CCN(C(N)=O)C(C)=NC;LPBDCFMQHAOHPA-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284866;MM284866;C#CCC(C)=CCCCF;CTPHGBIDNBGDBY-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284867;MM284867;C#CCC(F)=CCCCC;YDVIGBMPBDJRPC-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284868;MM284868;C#CCC(F)=CCCCN;ANXHCWCMCJHRGS-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284869;MM284869;CC=C(C(N)=O)N(C)C=O;DRJFWLZXFCAUOL-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284870;MM284870;C#CCC(C)=CCCNC;CJCVNCXNPPKOGP-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284871;MM284871;C#CCC(F)=CCCNC;NFYJJMBAESEUSA-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284872;MM284872;C#CCC(C)=CCCOC;MSVUJOKSERQJOO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284873;MM284873;C#CCC(C)=CCOCC;MFCVEVSYUOCKOB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284874;MM284874;C#CCC(C)=COCCC;GCVYEQLCMWHAMD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284875;MM284875;C#CCC(C)=COCOC;STTMPNFSEHVQQD-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284876;MM284876;C#CCC(F)=COCOC;HHIXGUAKSAOAHR-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284877;MM284877;C#CCC(C)=NNCCC;ZQHUZFJYEJOBQZ-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284878;MM284878;C#CCC(C)=NOCCC;SOKXYUSTTUGYLL-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284879;MM284879;C#CCC(C)=NOCCF;WCRAWBRZECWKPB-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284880;MM284880;C#CCC(C)=CCCC=C;LBBGSRVIQDXXST-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284881;MM284881;C#CCC(C)=CCCC=O;MARKVLPLJCPANA-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284882;MM284882;C#CCC(C)=CCCC#N;UZJHEZSYNHNGGK-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284883;MM284883;C#CCC(F)=CCCC=C;JCPUFOFQXDBKMS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284884;MM284884;C#CCC(F)=CCCC=O;HUPAYPNMNJCDDZ-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284885;MM284885;C#CCC(C)=CCNN=C;GKGDKZUWILOVQK-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284886;MM284886;C#CCC(F)=CCNN=C;IJAQFWNMUTZXDR-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284887;MM284887;C#CCC(C)=CCOC=C;FZUZERUBUAKCME-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284888;MM284888;C#CCC(C)=CCOC=O;VPTSMZYJJDFTFE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284889;MM284889;C#CCC(C)=CCON=C;ZALSOAKDSZRNSX-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284890;MM284890;C#CCC(C)=COCC=O;JDLSOAKWXTZASA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284891;MM284891;C#CCC(F)=COCC=C;DYUHBRUHBYCJFI-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284892;MM284892;C#CCC(F)=COCC=O;ULWVDBARCOLKJP-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284893;MM284893;C#CCC(C)=NNCC=C;ZFSHHEMKPMKOQI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284894;MM284894;CC(CCCO)=NN;BLFAVNATYKAREZ-UHFFFAOYSA-N;116.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284895;MM284895;C#CCC(C)=NOCC=C;XGGDWOIVKSVQDT-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284896;MM284896;C#CCC(C)=NOCC#N;YSGYEHBUCZLLHR-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284897;MM284897;C#CCCC=C(C)CC#C;NLVHZLQHXBAPOA-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284898;MM284898;C#CCCC=C(F)CC#C;TVNLEXXHOUWTKT-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284899;MM284899;C#CCOC=C(C)CC#C;HYFAKKQOVFQRJS-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284900;MM284900;CNc1cc(F)c[nH]1;HJSCSHPKBMTPDQ-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284901;MM284901;CC=CCC=C(C)CCC;SJJZNBQGCXIZMC-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284902;MM284902;CC=CCC=C(C)CCN;WHPQBALBIPCXRG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284903;MM284903;CC(=CCC=CF)CCN;XNBFFFNZEJSERZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284904;MM284904;CCCC(F)=CCC=CF;IBKGLDQHLKLWCJ-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284905;MM284905;NCCC(F)=CCC=CF;XDASEXCSJKXQME-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284906;MM284906;CC(=CCC=NO)CCO;INBFAUABOWXMST-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284907;MM284907;CC(=CCC=NO)CCF;HUAWKBMOOPBOIU-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284908;MM284908;CCCC(F)=CCC=NO;GFRRZPGWULZUHR-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284909;MM284909;NCCC(F)=CCC=NO;YYPMZMFXYMBWMB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284910;MM284910;CC=CCC=C(C)CNC;ZAJILCGZTZKAEO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284911;MM284911;CNCC(C)=CCC=CF;ODZDRFBVGQVIKE-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284912;MM284912;CCCC(C)=CN=CNN;FTRPNBKFAFSSPM-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284913;MM284913;CN=CNC=C(C)CCN;UOLKXEGFUMNGLY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284914;MM284914;CN=CNC=C(C)CCO;ITSGQJURFPSGLI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284915;MM284915;CN=CNC=C(F)CCN;KCQZBQPGVQWRSB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284916;MM284916;CN=CNC=C(F)CCO;INUPNOJFPZXNHV-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284917;MM284917;CNCC(C)=CN=CNN;RYESIGSBTAHQHZ-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284918;MM284918;CNCC(C)=CN=CNO;UKGFLJYFYKFTGB-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284919;MM284919;CCCC(C)=COC=CF;AHBSHBJEGMUVNA-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284920;MM284920;CC(=COC=CF)CCN;WPJUAHVJFKGPRN-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284921;MM284921;CC=COC=C(C)CCO;ATKDAKBGPZGTEZ-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284922;MM284922;CC=COC=C(F)CCC;CMLIOFDXSKMCQF-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284923;MM284923;NCCC(F)=COC=NO;HXHUIGWWKZEUHJ-UHFFFAOYSA-N;148.14;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284924;MM284924;CC=COC=C(C)CNC;VBYWJSDGBMHDRN-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284925;MM284925;CNCC(C)=COC=CF;VHMWWJLHKIRCIO-UHFFFAOYSA-N;145.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284926;MM284926;CC=CCC=C(C)OCC;AGHAEEZBFFEKKL-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284927;MM284927;CCOC(C)=CN=CNC;SLTBKDNYWUXXOR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284928;MM284928;CC=COC=C(C)OCC;IAVHQJVXKRGBJP-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284929;MM284929;C=NN=CCCCO;BUJKPHGZZOYVAC-UHFFFAOYSA-N;114.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284930;MM284930;CCOC(C)=COC=NO;CNDQIDAJVBOJPL-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284931;MM284931;CN(C)N=CCCCO;ARSCQZNWBAHGIV-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284932;MM284932;C=NN=C(C)CCCO;GIJHRXCPUWJEJT-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284933;MM284933;CN(N)C(=O)CCCO;VFGGYGKKHNZZEJ-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284934;MM284934;N=C(N)C(=O)CCCO;KMHGXTFGCDQABN-UHFFFAOYSA-N;130.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284935;MM284935;CN(CC=NN)C(N)=O;KGUNNXWDRALAQE-UHFFFAOYSA-N;130.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284936;MM284936;CC(CCO)=NOC=NO;ZBIUVTNHDAANSY-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284937;MM284937;C=CCN(NC)C(N)=O;WTTUTUVKENYZSF-UHFFFAOYSA-N;129.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284938;MM284938;Cc1c(NN)noc1N;APXYNJFYAVKWOP-UHFFFAOYSA-N;128.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284939;MM284939;C=CCC(C)=CCC=CC;CUDCTQBBYTUEPL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284940;MM284940;CC=CCC=C(C)CC=O;QDMVUEJTXXIFKT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284941;MM284941;CC=CCC=C(C)CC#N;MAGRDRLPCFRBLQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284942;MM284942;CC(=CCC=CF)CC=O;QYASXSYLNCDZJR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284943;MM284943;CC(=CCC=CF)CC#N;IJEIIMJUECAAOQ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284944;MM284944;CC=CCC=C(F)CC=O;IZHITGAMGWBTGX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284945;MM284945;O=CCC(F)=CCC=CF;WEAMHXXODNVRCK-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284946;MM284946;C=CCC(C)=CCC=NN;LVKWQUYTJBGMEZ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284947;MM284947;CC(=CCC=NO)CC#N;ITYXENYYFSKGFD-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284948;MM284948;C=CCC(F)=CCC=NN;JKMLWGOXMLBBAE-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284949;MM284949;O=CCC(F)=CCC=NO;WERDYTGPERNIOZ-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284950;MM284950;N#CCC(F)=CCC=NO;BFFSAKWLKGWDIY-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284951;MM284951;C=CCC(C)=CNC=NC;HMUSIXGHRFTQEP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284952;MM284952;C=CCC(C)=CN=CNN;WCKNCQROKBMTDX-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284953;MM284953;C=CCC(F)=CNC=NC;MCBXMHBTWUFRKN-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284954;MM284954;C=CCC(F)=CNC=NO;DJXBCHYVNIVVMO-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284955;MM284955;C=CCC(C)=COC=CC;ACUIIRMBPAYOBF-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284956;MM284956;C=CCC(C)=COC=CF;YMHIYVMZNDKJPI-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284957;MM284957;CC=COC=C(C)CC#N;DCZJUXXHDALGJU-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284958;MM284958;CC(=COC=CF)CC#N;SOWQMNXUNQFQCK-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284959;MM284959;O=CCC(F)=COC=CF;LLNRQHJXKMWVQN-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284960;MM284960;CC(=CCC=CF)NC=N;HGHGXZYOJOEVIG-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284961;MM284961;CC=COC=C(C)NC=N;YVMGUIFIGDCEFP-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284962;MM284962;CC=COC=C(C)NC=O;YVXKCGURYLBMBG-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284963;MM284963;C=COC(C)=CCC=CC;QYAMLHVEVVJOJH-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284964;MM284964;CC(=CCC=CF)OC=O;XXCUSZDAGBGNAD-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284965;MM284965;CC(=CCC=NN)OC=O;UOBAXWFPFLAZCC-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284966;MM284966;C=COC(C)=CNC=NC;VJHVHJMEFBFKSD-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284967;MM284967;CN=CNC=C(C)OC=O;QKZNWWNVLWLLJQ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284968;MM284968;C=COC(C)=COC=CC;UIUFVOQKJJQGOT-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284969;MM284969;C=NNC1CC1CCO;XADXVXAYHATLGZ-UHFFFAOYSA-N;128.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284970;MM284970;C=COC(C)=COC=NO;CQVQHGQBUOSCTM-UHFFFAOYSA-N;143.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284971;MM284971;C=CC(CCCO)=NN;AULGPGSIKXEHKV-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284972;MM284972;C=CNC(C)=NCC=CC;YRHJUPHLNWVVJE-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284973;MM284973;C=CNC(C)=NCC=NN;CFPAXYYXGSOKEK-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284974;MM284974;CCON=CCCCO;IHCKVAVILIICEY-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284975;MM284975;C=COC(C)=NOC=NO;XDJKBJCJWTVKRN-UHFFFAOYSA-N;144.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284976;MM284976;O=CON=CCCCO;QLILHWKJFLZHRH-UHFFFAOYSA-N;131.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284977;MM284977;C#CCC(C)=CCC=CC;KAHZMIYSFWNUJI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284978;MM284978;C#CCC(C)=CCC=CF;JXFBRLMMDQZUKP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284979;MM284979;C#CCC(F)=CCC=CF;JEPKHLVOMLEADI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284980;MM284980;C#CCC(C)=CCC=NN;ZPUIMELYPPEGOV-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284981;MM284981;C#CCC(C)=CCC=NO;BHHTTWORFKAVFG-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284982;MM284982;C#CCC(F)=CCC=NN;UCOQGQAESOKLKK-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284983;MM284983;C#CCC(C)=CNC=NC;NTCGVSYREZIDCE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284984;MM284984;C#CCC(C)=CN=CNN;UOWDQHWFQYZXKY-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284985;MM284985;C#CCC(F)=CNC=NC;PDHKAELPONSRGH-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284986;MM284986;C#CCC(C)=COC=CC;OABOJGJNLRJDQK-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284987;MM284987;C#CCC(F)=COC=CC;IIOIXKZFLYLNDA-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284988;MM284988;CC=NN=CCCCO;MHWUOQRHZBHSTK-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284989;MM284989;C=NN1CC1CNC=O;SCCQBCLISPDRJZ-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284990;MM284990;CC#CCC=C(C)CCC;CJWGRMZYNZNJCP-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284991;MM284991;CC#CCC=C(C)CCN;GNXWTFAGIAGYBH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284992;MM284992;CC#CCC=C(C)CNC;CAZNVEHWPCYYMA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284993;MM284993;CC#CCC=C(C)OCC;VKKOZNHSEVABPJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284994;MM284994;C=CCC(C)=CCC#CC;WFAPLACOMBYRSV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284995;MM284995;CC#CCC=C(C)CC=O;WGCOBFHXSWUQTD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284996;MM284996;CC#CCC=C(C)CC#N;BQCLAVUUYKUCCN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284997;MM284997;CC#CCC=C(F)CC#N;DWRRLENHXACMMZ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284998;MM284998;CC#CCC=C(C)NC=N;PCUBMRVZJPDULX-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM284999;MM284999;C=COC(C)=CCC#CC;BDPJLACAWOWFJS-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285000;MM285000;CC#CCC=C(C)OC=O;IIUFUFRQKJNUHK-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285001;MM285001;C=CNC(C)=NCC#CC;ANMXQWGIWPVASN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285002;MM285002;C#CCC(C)=CCC#CC;DDPOMSMZIUWNQE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285003;MM285003;CC=CC(C)=CCCCC;AEJXYYMEMMSYMF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285004;MM285004;CC=CC(C)=CCCCN;PBTWQIVIJCILOB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285005;MM285005;OCCCC=NN1CC1;XWYBDIAVPGFGEK-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285006;MM285006;CCCCC=C(C)C=CF;BUQQJGOKGHDCLQ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285007;MM285007;CC(C=CF)=CCCCN;UMCKNNVALNYWNO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285008;MM285008;CNC(=O)C(C)N1CC1;XJZXOTCVDPMDNB-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285009;MM285009;CC(C=CF)=CCCCF;PVUBGWNUVZAHDA-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285010;MM285010;CC=CC(F)=CCCCC;LAABCQKUQUODHB-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285011;MM285011;NCCCC=C(F)C=CF;ABXSJSCRTKXYNX-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285012;MM285012;CC=CC(C)=CCCNC;JNXWGFXFZMDLMM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285013;MM285013;CNCCC=C(C)C=CF;FSSAFLSRUVTPQY-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285014;MM285014;CC=CC(F)=CCCNC;ZJBSWWVYMJRFEN-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285015;MM285015;CNCCC=C(F)C=CF;ALOVFYOQNCEHAG-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285016;MM285016;CC=CC(C)=CCCOC;BAVVVENVSMUZPP-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285017;MM285017;CCCCC=C(C)C=NN;WQDSZWVSPDFWLQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285018;MM285018;CCC(F)C(C)(C)NC=O;AFIJVAJXTXUIGT-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285019;MM285019;CC(C=NO)=CCCCN;NEOYFBIODRCPEX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285020;MM285020;CC(C=NO)=CCCCO;TUQKZXOIGKSYRS-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285021;MM285021;COCCC=C(C)C=NN;SYGOPZUKPCIQCT-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285022;MM285022;CC=CC(C)=CCNCC;LEORMABEIDVMBT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285023;MM285023;CCNCC=C(C)C=CF;IOVDVRXFLUJNGO-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285024;MM285024;CCNCC=C(F)C=NN;PCADZHMHOTXQMD-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285025;MM285025;CC=CC(C)=CCOCC;MVMBEXNAKSELQF-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285026;MM285026;CC=CC(F)=CCOCC;OLAGBBHQLQFNRU-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285027;MM285027;CCOCC=C(C)C=NN;ZAIRYCSFPOPGHR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285028;MM285028;CC(C=NO)=CNCCN;WUICTBRHFGCGOE-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285029;MM285029;C=NNCC(C)(C)CCO;IQAPJPYNECKTEJ-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285030;MM285030;CC=CC(C)=COCCC;XTNWEOMLAMHIEH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285031;MM285031;CC=CC(C)=COCCN;HNOLAUVFNHMPCF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285032;MM285032;CC=CC(F)=COCCC;VSOKPRNQBACOIK-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285033;MM285033;CC=CC(F)=COCCN;PAIMNUSAGCAPIP-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285034;MM285034;CC=CC(F)=COCCO;FMGWTOJUADIHOF-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285035;MM285035;CC=CC(C)=COCOC;YFPVHLUOUIYRBW-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285036;MM285036;COCOC=C(C)C=CF;UNSSPGXFGDZQKS-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285037;MM285037;CCCOC=C(C)C=NN;OLHKSDLWNLEKOH-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285038;MM285038;COCOC=C(C)C=NN;UJCKSBAVSCKTSL-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285039;MM285039;CCCNN=C(C)C=CF;HXYOXAIHJUDMBN-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285040;MM285040;CC(C=NO)=NNCCN;QUSOFQBOIQGDKC-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285041;MM285041;CC(C=NO)=NNCCO;XCLQAWFFVKFULE-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285042;MM285042;CC(C=NO)=NNCCF;LSZQNGNCVVHFRW-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285043;MM285043;CC(C=CN)=NOCCN;VTFVGROHXXZRJR-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285044;MM285044;CCCON=C(C)C=CF;BLPZUIGVXCMKML-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285045;MM285045;C=C(F)CCC(C)NC=O;YSFBHJBOMFJZAQ-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285046;MM285046;CC(C=NO)=NOCCN;AXWLZPVDMWGKLO-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285047;MM285047;COCON=C(C)C=NO;ODOAFWPBSOXFMT-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285048;MM285048;N=CNC(N)=NNCCO;ZXWGIBXRBVNXGJ-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285049;MM285049;N=CNC(N)=NOCCO;WSCPWVBCAYWZAA-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285050;MM285050;C=CCCC=C(C)C=CC;WCLDFXTYIQWVDX-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285051;MM285051;CC=CC(C)=CCCC#N;VZBXJKIZOJDUSQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285052;MM285052;CC(C=CF)=CCCC=O;YBTCAMOKTASROG-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285053;MM285053;CC=CC(F)=CCCC=O;VJCJEBVIMVYULD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285054;MM285054;O=CCCC=C(F)C=CF;HRIJELHOQBAFNI-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285055;MM285055;CC(C=NO)=CCCC=O;JLQZLPYAOFXRJW-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285056;MM285056;O=CCCC=C(F)C=NO;YMSYNBBUGPOSDI-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285057;MM285057;CC=CC(C)=CCNC=N;VVMSWVSTLKQFKA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285058;MM285058;CC(CCO)CN(C)C=O;LAGLGZJYBXRXHA-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285059;MM285059;C=NNCC=C(C)C=CC;SVXJVJKOCSGCIQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285060;MM285060;C=NNCC=C(F)C=CF;ZYDFVBMGGJADSB-UHFFFAOYSA-N;146.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285061;MM285061;CC(C=NN)=CCNC=N;SXUNRTGURFJRHI-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285062;MM285062;C=COCC=C(C)C=CC;IKHUVJJSJHNMJT-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285063;MM285063;CC=CC(C)=CCOC=O;XTAPDIMAXLNBNH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285064;MM285064;C=NOCC=C(C)C=CC;JPWWPQHHXLSALI-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285065;MM285065;CC=NN(C=N)CC(N)=O;QABUPZCTUWKFDI-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285066;MM285066;C=CCOC=C(C)C=CC;OQWNKEYHJZGAEB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285067;MM285067;CC=CC(C)=COCC=O;BMGSDQVXOFTVSH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285068;MM285068;C=CCOC=C(F)C=CC;WCEUTDNJYYTSFJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285069;MM285069;CC=CC(F)=COCC=O;PFRWVSJRUPKKFI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285070;MM285070;C=CCOC=C(C)C=NN;RROKGWMHJJFFSM-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285071;MM285071;CC(C=NO)=COCC=O;DMFMNSOIDAQRPO-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285072;MM285072;COC(=CC(N)=O)C(C)F;ISSKQIFSGCCKJU-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285073;MM285073;CC(C)NN=CCCCO;GPTSUVILHXDBBW-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285074;MM285074;CC(C)ON=CCCCO;ZZOXHRKTODXPFV-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285075;MM285075;CC(C=CN)=NOCC#N;ZJZBACOEFAIVOG-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285076;MM285076;C=CCON=C(N)NC=N;BRCBPBRXXKWNIJ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285077;MM285077;N=CNC(N)=NOCC=O;DGEVUQWRDCQLTK-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285078;MM285078;N#CCON=C(N)NC=N;XOACCBOMBQNPCQ-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285079;MM285079;C#CCCC=C(C)C=CC;YODKDSWZICMVIC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285080;MM285080;C#CCCC=C(F)C=CF;IDGKRJRWOPRPKB-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285081;MM285081;C#CCCC=C(C)C=NO;QNYISWDSPFLZHO-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285082;MM285082;C#CCOC=C(C)C=CC;AEUNFEBMJIXBQZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285083;MM285083;C#CCOC=C(F)C=CC;LNEJQAOVCOSIOJ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285084;MM285084;C#CCNN=C(N)NC=N;PFRQVQZQZRGHDV-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285085;MM285085;CC=CCC=C(C)C=CC;KEPIEAVNSUQEFM-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285086;MM285086;CC=CC(C)=CCC=CF;BUUOTWNSRQCCLN-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285087;MM285087;CC=CC(C)=CCC=NN;LJSMKEQWBGQTST-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285088;MM285088;CC=CC(C)=CCC=NO;AINMKFSIMSZRFG-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285089;MM285089;CC(C=CF)=CCC=NN;FGAJYXVGXDEBOI-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285090;MM285090;CC=CCC=C(C)C=NN;KJWACMJCNQMTAQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285091;MM285091;CC(C=NN)=CCC=CF;SYFCBMPNTRRUNZ-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285092;MM285092;N#CCCCC=CC(N)=O;LHQXLMSUSLZBAI-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285093;MM285093;CC(C=NO)=CCC=CF;BWAARAQAEQUXON-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285094;MM285094;CC(C=NO)=CCC=NO;GGELCJBMNNZIPU-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285095;MM285095;CC=CC(C)=CN=CNN;AJPZQHREQVYBFF-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285096;MM285096;CN=CNC=C(C)C=CF;PNSMUVNXYNAPTQ-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285097;MM285097;CN=CN=CC(C)=CNN;YPSKGMSSAGRJAC-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285098;MM285098;CC=COC=C(C)C=CC;IJSYNCWNUVWROD-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285099;MM285099;CC=CC(C)=COC=CF;SJPPOGYUEIOTJD-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285100;MM285100;CC=COC=C(F)C=CC;SYJSIHDXLQIJMZ-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285101;MM285101;CC=COC=C(C)C=NN;MTPSFUXJUBQUOR-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285102;MM285102;CC(CCO)CNCC#N;OTGAANZYIUAJTI-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285103;MM285103;CC=NNCC(C)CCO;HTTAQNUQECHQFB-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285104;MM285104;C=CCC(=O)CC=NOC;HBQRBWGKIGNXHN-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285105;MM285105;NN=CC(F)C#CCCO;DKXHHADTKHBJQA-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285106;MM285106;C=CC=C(F)CCNC=O;HHHPYTJEQWZYSR-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285107;MM285107;CC(=CNN)N=NC=NO;DBZROTMPRHJRGR-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285108;MM285108;C=C(C(N)=O)N(C=O)CC;LKERCUVUJJLJKM-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285109;MM285109;C=C(COCCF)C(N)=O;IEBXUNXLJXFPOV-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285110;MM285110;CC(C=NN)=NOC=NO;IVCDOMSGOPGWLJ-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285111;MM285111;N=CNC(N)=NCC=NN;KPGXSDVULJUYJE-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285112;MM285112;N=CNC(N)=NNC=NN;OSKFAMYCCTUNEQ-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285113;MM285113;N=CNC(N)=NNC=NO;SNZQTHZYMMZBPW-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285114;MM285114;CC#CCC=C(C)C=CC;XJCWGLZNONAHQE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285115;MM285115;CC#CCC=C(C)C=NN;DVCYRVSTMFTBPQ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285116;MM285116;CC#CCC=C(C)C=NO;SHCFTMDXYAXRES-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285117;MM285117;CC#CC(C)=CCCCC;UHFKYVVUPGQEOJ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285118;MM285118;CC#CC(C)=CCCCN;HJFIXIXRPBIQTC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285119;MM285119;COCC(=O)N(N)C(C)=O;ZVQFAJLNEFQSFR-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285120;MM285120;CC#CC(F)=CCCCC;RLTRHPHLBQJVFS-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285121;MM285121;CC=NN1CC(CCO)C1;NUFCMAMXSAWOIT-UHFFFAOYSA-N;142.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285122;MM285122;CC#CC(C)=CCCNC;QZQGTCWKRXBWGL-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285123;MM285123;CC#CC(F)=CCCNC;CVMLZXKKHWTXKC-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285124;MM285124;CC#CC(C)=CCCOC;ZEDNISQFYJEQCP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285125;MM285125;CC#CC(C)=CCNCC;JEDWLXSDCJHKJJ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285126;MM285126;CC#CC(C)=CCOCC;WFSPZZNYCVSGGC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285127;MM285127;CC#CC(C)=COCCC;RFMKGRUINBNQLJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285128;MM285128;CC#CC(C)=COCCN;BTQMJOQWXADKBC-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285129;MM285129;CC#CC(C)=COCCO;NXGSGCYRDNXJLK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285130;MM285130;CC#CC(F)=COCCC;QAGYTTYGHZFCAA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285131;MM285131;CC#CC(F)=COCCN;OPSYJCMFEGMPHB-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285132;MM285132;CC#CC(F)=COCCO;BOIIKAVRWYDKHV-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285133;MM285133;CC#CC(F)=COCCF;FQRYSEWUHPXOIQ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285134;MM285134;CC#CC(C)=COCOC;OIRSCZDUEGNQCB-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285135;MM285135;CC#CC(C)=NNCCC;VXNLMVPHUCUTQB-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285136;MM285136;CC#CC(C)=NNCCN;YWBUOCAMHJMEKA-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285137;MM285137;CC#CC(C)=NOCCC;BGIWEUUWVNFSRH-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285138;MM285138;CC#CC(C)=NOCCN;FMEQYHAGQKNVMZ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285139;MM285139;CC1(C=O)NC1C(=O)C#N;HVXJGEUIXLPIHX-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285140;MM285140;CC#CC(C)=NOCOC;UZDSGWJIAXZKHG-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285141;MM285141;C=CCCC=C(C)C#CC;QYOCETKYMYZITP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285142;MM285142;CC#CC(C)=CCNC=N;WZOHXWMXIGPRMV-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285143;MM285143;C=NNCC=C(C)C#CC;BSGMDUKJOVROSG-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285144;MM285144;C=COCC=C(C)C#CC;ZJELRARQGVUODT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285145;MM285145;C=NOCC=C(C)C#CC;GBPZERUSAWCTQM-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285146;MM285146;C=CCOC=C(C)C#CC;NHAZSEONSBNUGV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285147;MM285147;CC#CC(C)=COCC=O;BNPAIBQBYNWBRX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285148;MM285148;CC#CC(C)=COCC#N;FRKTWCKGDONATH-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285149;MM285149;C=CCOC=C(F)C#CC;WSIXOIZSCJQTBW-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285150;MM285150;CC#CC(F)=COCC=O;AYZCBBPIUMCYSP-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285151;MM285151;CC#CC(F)=COCC#N;UXECXCDYLVORSL-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285152;MM285152;C=CCNN=C(C)C#CC;XCXPIZPBKSMXBV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285153;MM285153;C#CC1(CC(=O)CF)CN1;BCHPIZUGLVXUFR-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285154;MM285154;C=C(CCCO)OC=NN;JCRWOSFRFBMVCP-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285155;MM285155;CC#CC(C)=NOCC#N;XZFMOWVTZZBXEH-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285156;MM285156;C#CCOC=C(C)C#CC;PKEGHHPQKMCOKS-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285157;MM285157;C#CCOC=C(F)C#CC;KNEODGKFEFYXFQ-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285158;MM285158;NC=NOC(=O)CC=NN;TUJDGTMCISAARL-UHFFFAOYSA-N;144.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285159;MM285159;C#CCON=C(C)C#CC;LMYNVIIKKKUTEJ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285160;MM285160;CC#CC(C)=CCC=CC;BRBLUOGIMZILQE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285161;MM285161;CC#CC(C)=CCC=NN;BELOVGSUWNTWTJ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285162;MM285162;CC#CC(C)=CNC=NC;GNUNIJNLVRUYBM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285163;MM285163;CCON=C(C)CCCO;MRDSPICKEJDTDK-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285164;MM285164;CC#CC(C)=COC=CC;XNVXSGSDZJNHBU-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285165;MM285165;CC#CC(C)=COC=CF;ZQHLHQKCEDWMRQ-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285166;MM285166;CC#CC(F)=COC=CC;FKBMQEBXMMEDFU-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285167;MM285167;CC#CC(C)=COC=NO;NVRGDZVHKUATNQ-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285168;MM285168;C=C(CCCO)N(N)C=O;LBTNQFKLBAJUKZ-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285169;MM285169;NN(C=O)C(=O)CCCO;BALAIZJFXCXZSL-UHFFFAOYSA-N;146.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285170;MM285170;CN(C=N)N=CCCCO;KFKXGPPYUXETTQ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285171;MM285171;CC#CC(C)=NOC=NO;QBPCRTDQDBOUSC-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285172;MM285172;CC#CCC=C(C)C#CC;DWPOZNUSQLMDHL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285173;MM285173;CCCC(C)=CC=CCN;OFTGUYLOINCCMF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285174;MM285174;CCCC(C)=CC=CCO;PKBGEOBDIVKLRY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285175;MM285175;CCCC(C)=CC=CCF;OPRPLQCWCMBQOI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285176;MM285176;CC(=CC=CCO)CCN;QYFZXIXDFPJKCF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285177;MM285177;CC(=CC=CCF)CCN;LIEMURGXQOZNMY-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285178;MM285178;CC(=CC=CCO)CCO;BQNWONBSOVOUAI-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285179;MM285179;C#CC(F)C(C#N)ON=C;XGWYMNBLONHDDI-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285180;MM285180;CC(=CC=CCO)CCF;KNEITWXTFNKADK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285181;MM285181;CCCC(F)=CC=CCN;WNZDWZKEFXGXOQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285182;MM285182;CCCC(F)=CC=CCO;QSUBTBDWNHOFRP-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285183;MM285183;CCCC(F)=CC=CCF;XNSNBFBILLZMTP-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285184;MM285184;NCCC(F)=CC=CCO;KXDLBLYZCPQTLS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285185;MM285185;CCCC(C)=CC=COC;WWBYOYFAHGNNGR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285186;MM285186;C#CC(C)N(CC=O)N=C;VEYNWKDBHDOBCM-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285187;MM285187;CCCC(F)=CC=COC;RWYKXVDIXROPFL-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285188;MM285188;CNCC(C)=CC=CCO;QJOWKZOGKHMJAY-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285189;MM285189;CNCC(C)=CC=CCF;IDOKTKSIEXTOJJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285190;MM285190;CCCC(F)=CC=NNC;NDUMMMJHZLTVMX-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285191;MM285191;CCCC(F)=CC=NOC;YJSVJRXNMBPOAE-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285192;MM285192;CCN=C(C)C=CNOC;MAYGSLKSKBBSJW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285193;MM285193;CCNC(=N)C=CNOC;HYNJNHPGFJQCCK-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285194;MM285194;CCC=CC=C(C)OCC;RTNAMVOFUMDNRE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285195;MM285195;CCOC(C)=CC=CCN;WIBPGNHDLWGRMG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285196;MM285196;CCOC(C)=CC=CCO;SNOYGIPCNXMQFC-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285197;MM285197;CCC=NN=C(C)CCC;KTMVJRALKACMCT-UHFFFAOYSA-N;140.23;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285198;MM285198;CC(CCN)=NN=CCO;FPULVLUGXWGPRW-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285199;MM285199;CC(CCO)=NN=CCO;RONSVFKIQNWGRA-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285200;MM285200;CC(CCF)=NN=CCO;JHWYLACCOYWZMU-UHFFFAOYSA-N;146.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285201;MM285201;CCC=NN=C(C)COC;UGXATFNRZAVFDV-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285202;MM285202;COCC(C)=NN=CCF;LRBWQPAECQFICB-UHFFFAOYSA-N;146.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285203;MM285203;COC=NN=C(C)COC;RSDHELHMOHKWMC-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285204;MM285204;CCOC(C)=NN=CCO;PLPBGICQDKUYJI-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285205;MM285205;CCOC(C)=NN=COC;BBUARJKSAFGRCA-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285206;MM285206;C=CC=CC=C(C)CCC;ANUUMCLBMMZAMD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285207;MM285207;CCCC(C)=CC=CC#N;YROIRMICPCHMKL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285208;MM285208;CC(=CC=CC=O)CCF;VNYILAXPGDCUTN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285209;MM285209;CC(=CC=CC#N)CCF;YKKZEBKERZVNLO-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285210;MM285210;C=CC=CC=C(F)CCC;PNGIOHNBIASPHQ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285211;MM285211;CCCC(F)=CC=CC=O;APDVRSVQQIUKBW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285212;MM285212;CCCC(F)=CC=CC#N;TWSOYUXUUPLLIW-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285213;MM285213;O=CC=CC=C(F)CCO;YSHOICJVCNJZQN-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285214;MM285214;C=CC=CC=C(C)CNC;MDHIZTUCTNFALN-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285215;MM285215;CNCC(C)=CC=CC=O;QWSSZJYTQHFBRS-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285216;MM285216;CNCC(C)=CC=CC#N;MJZWTIUFQIQRSB-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285217;MM285217;COCC(C)=CC=CC#N;LFYUQJUKHULQGB-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285218;MM285218;C=NN=CC=C(C)CCC;YIECNZOQVIZULS-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285219;MM285219;C=NN=CC=C(C)CCF;RVLYWHNFRQTHKM-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285220;MM285220;C=NN=CC=C(N)CCC;PHEAPXRWSOOGCE-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285221;MM285221;C=NN=CC=C(C)CNC;BQGONQBBRDQJBA-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285222;MM285222;C=NN=CC=C(N)COC;YMQGXLJDIYPRTI-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285223;MM285223;CCOC(C)=CC=CC#N;JYZGHBNAPVUDAR-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285224;MM285224;C=NN=CC=C(N)OCC;FFKZTZNIGZZQGF-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285225;MM285225;CCCC(C)=NN=CC#N;WLSVVPYNCGAHMB-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285226;MM285226;C=CC=NN=C(C)CCN;YKUMDYWSNRGFDP-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285227;MM285227;CC(CCO)=NN=CC=O;JQOCZBSLQMZIDE-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285228;MM285228;C=CC=NN=C(C)CCF;KMTVLAAEMINEBG-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285229;MM285229;CC(CCF)=NN=CC=O;OBWGYHQDNBHOOS-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285230;MM285230;CC(CCF)=NN=CC#N;AENPWGVHLKYPMJ-UHFFFAOYSA-N;141.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285231;MM285231;C=CC=NN=C(C)COC;KSEOESOTMHYTPX-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285232;MM285232;COCC(C)=NN=CC=O;ZZCJRXXPSLAILA-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285233;MM285233;COCC(C)=NN=CC#N;JMTMFZGYKZVXJB-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285234;MM285234;C=CC=NN=C(C)OCC;XOYLBMCFIOCNFZ-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285235;MM285235;CCOC(C)=NN=CC=O;ZZOIRHHWTQVNEN-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285236;MM285236;CCOC(C)=NN=CC#N;FEDDETKAEYSTEI-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285237;MM285237;C#CC=CC=C(C)CCC;AUUILUJKYRGNPZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285238;MM285238;C#CC=CC=C(C)CCN;YDLHRUADHRNHKZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285239;MM285239;C#CC=CC=C(F)CCC;HHWZYEPOBLXYCL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285240;MM285240;C#CC=CC=C(F)CCN;DQRCVMQSVQPETB-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285241;MM285241;C#CC=CC=C(F)CCO;RAUWYNLTDNMYRT-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285242;MM285242;C#CC=CC=C(C)COC;MNADLXNZPDGNDA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285243;MM285243;C#CC=CC=C(C)OCC;WARYRPPXSOQEBW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285244;MM285244;C#CC=NN=C(C)CCC;COBDGEOKBOGVRF-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285245;MM285245;C#CC=NN=C(C)CCN;ZLTNGRKEATXBFZ-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285246;MM285246;C#CC=NN=C(C)COC;JCFSYFCSHHEBMF-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285247;MM285247;C#CC=NN=C(C)OCC;TUQVZFLBSAYNOH-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285248;MM285248;C=CCC(C)=CC=CCN;WQKIGVGZYGEGGD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285249;MM285249;C=CCC(C)=CC=CCO;JGZODQGMKVWJNO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285250;MM285250;C=CCC(C)=CC=CCF;IUKKDIJAKVOSOG-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285251;MM285251;CCC=CC=C(C)CC=O;UDOILFIYQQYOMC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285252;MM285252;CCC=CC=C(C)CC#N;PZNNRKITFHSEBM-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285253;MM285253;CC(=CC=CCO)CC=O;YGOINWDQZJYOQA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285254;MM285254;CC(=CC=CCO)CC#N;MNSAFNFXKXITAV-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285255;MM285255;CC(=CC=CCF)CC=O;FOIJMHAMYFNBBP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285256;MM285256;CC(=CC=CCF)CC#N;VYJUNZHLHOXNHX-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285257;MM285257;C=CCC(F)=CC=CCC;CLLKPHZARPCHFK-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285258;MM285258;C=CCC(F)=CC=CCN;IQKORQQIVDLZKU-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285259;MM285259;C=CCC(F)=CC=CCO;ITNMGIUHNLFEIC-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285260;MM285260;CCC=CC=C(F)CC=O;DQPGEAYVXHSCBD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285261;MM285261;CCC=CC=C(F)CC#N;DVPZKOMAYGEISX-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285262;MM285262;O=CCC(F)=CC=CCO;ZDWYTAPLEYRHSI-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285263;MM285263;COC=CC=C(C)CC=O;YAJZCSBKARVFBX-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285264;MM285264;COC=CC=C(C)CC#N;XXFFBHLXAKLYSE-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285265;MM285265;C=CCC(C)=CC=NNC;HNKZKAKSYWJLQK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285266;MM285266;CNN=CC=C(F)CC#N;YOIFMMCSRJCTOJ-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285267;MM285267;C=CCC(C)=CC=NOC;YXINDMHYXPPLIP-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285268;MM285268;C=CCC(F)=CC=NOC;XFMNJYMTBRQINH-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285269;MM285269;CON=CC=C(F)CC#N;VPASWWFVYZYGRA-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285270;MM285270;CCC=CC=C(C)NC=N;IFUAOIFYDJYLBG-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285271;MM285271;CC(=CC=CCN)NC=O;JXTVHSDJXWAUCF-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285272;MM285272;CC(=CC=CCO)NC=O;MPHOZGWQSKULAE-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285273;MM285273;CC(=CC=CCF)NC=O;UEIWOBXDABUKPB-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285274;MM285274;COC=CC=C(C)NC=N;GVFYMCVKMQBJIV-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285275;MM285275;C=COC(C)=CC=CCC;FGCAFVGMXDTBBB-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285276;MM285276;CC(=CC=CCO)OC=O;NXZZIDJINHRVNL-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285277;MM285277;C=COC(C)=CC=NNC;ZEFPFZXMCYJRAZ-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285278;MM285278;C=CCC(C)=NN=CCC;FZAXZIDAJJMBSB-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285279;MM285279;C#CC(ON=C)C(F)CF;BNCNABQRNFBDIN-UHFFFAOYSA-N;147.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285280;MM285280;CCC=NN=C(C)CC#N;FNLGTZHJPWWDJT-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285281;MM285281;CC(CC=O)=NN=CCO;QCVKKGNPTMEYLV-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285282;MM285282;CC(CC#N)=NN=CCF;AMISZGWOQNWVNU-UHFFFAOYSA-N;141.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285283;MM285283;COC=NN=C(C)CC=O;FSPCLNCKZRRBJE-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285284;MM285284;COC=NN=C(C)CC#N;CZJMYOXZKLYGDN-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285285;MM285285;NN=C(CCF)CCCO;ZQMWXEXQRROKNC-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285286;MM285286;CON=C(CCCO)NN;LEYOZJBQIBELPV-UHFFFAOYSA-N;147.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285287;MM285287;CON=C(CCCO)OC;CVITZYBBXQVMFY-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285288;MM285288;C=COC(C)=NN=CCN;YLLIWZNPRFNEMX-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285289;MM285289;C=COC(C)=NN=CCO;QOGCVBRQFDRGFS-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285290;MM285290;CCC=NN=C(C)OC=O;QOWPOIJXLSBGFU-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285291;MM285291;CC(=NN=CCF)OC=O;ABDFNEZADMSKHS-UHFFFAOYSA-N;146.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285292;MM285292;C=COC(C)=NN=COC;AGZDDQHDJQIDAU-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285293;MM285293;COC=NN=C(C)OC=O;RSHJXBORJKQYGF-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285294;MM285294;C#CC=C(C=C)CNC=O;JJASVJVKPJSCDB-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285295;MM285295;C=NOC(C)=NN=COC;MXQBMBVNHAWCSW-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285296;MM285296;C=CC=CC=C(C)CC=C;IGTPNNQYUYZUPP-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285297;MM285297;C=CCC(C)=CC=CC=O;KEIUIYLYVWWREU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285298;MM285298;C=CCC(C)=CC=CC#N;DNILHBFUGPOQHM-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285299;MM285299;C=CC=CC=C(C)CC=O;BPSXJCSXBATDCO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285300;MM285300;C=CC=CC=C(C)CC#N;MLZYUDAXNDSBTH-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285301;MM285301;CC(=CC=CC=O)CC#N;ZFIIWPNSLAZYMB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285302;MM285302;CC(=CC=CC#N)CC=O;GVVCTCQFDWVTOJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285303;MM285303;C=CCC(F)=CC=CC=O;BAUUALOVVDJNND-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285304;MM285304;C=CCC(F)=CC=CC#N;BYZQUKXWJJMHFX-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285305;MM285305;C=CC=CC=C(F)CC#N;PRZOSQNWKYZMLZ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285306;MM285306;N#CCC(F)=CC=CC=O;ZZJRXBVFSGYVSR-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285307;MM285307;N#CC=CC=C(F)CC#N;JUKPZKULEUULLG-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285308;MM285308;C=NN(C)C(C=O)C(=C)F;KZLXWHSYFLVTGG-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285309;MM285309;C=NN=CC=C(C)CC#N;CHXQZWUAKKDMIF-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285310;MM285310;C=CCC(N)=CC=NN=C;PNPGMZIQBPFFIR-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285311;MM285311;C=NNC=CC(=N)CC=O;DKYGSCVRCRRORD-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285312;MM285312;C=C(C)C(CCCO)=NN;XRCRVOGHJKGQKT-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285313;MM285313;C=CCC(F)=CC=NN=C;XDDUIXCVAVLUFI-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285314;MM285314;CC(=CC=CC#N)NC=N;NEWHBFNQNVLJMR-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285315;MM285315;C=CC=CC=C(C)NC=O;KOYOXWBNBFJABL-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285316;MM285316;CC(=CC=CC=O)NC=O;WTQMFNPFDPCQTC-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285317;MM285317;C=CC=CC=C(C)OC=O;BSKSQNZXKXFSRW-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285318;MM285318;CC(=CC=CC=O)OC=O;KDDSIQIJBHEEEF-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285319;MM285319;CC(=CC=CC#N)OC=O;NQHNEGSJVYILQH-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285320;MM285320;C=COC(N)=CC=NN=C;MNCGBYVMHRBARA-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285321;MM285321;C#CC(C=C)=CCNC=O;DHXBJJVKUQHLCJ-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285322;MM285322;C=CC=NN=C(C)CC#N;YJLPXSZIVLCRKP-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285323;MM285323;CC(CC#N)=NN=CC=O;QLSJAFRMELXVJI-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285324;MM285324;CC(CC#N)=NN=CC#N;MWDKVYLUQKRVCU-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285325;MM285325;C=CNC(C)=NC=CC=O;ANPQDVCUNIIPRN-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285326;MM285326;C=CNC(C)=NC=CC#N;XNAYHDQKZYKILY-UHFFFAOYSA-N;135.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285327;MM285327;C=CN=C(C)N=CNC=N;HYDCXODOYVVVHO-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285328;MM285328;C=CN=C(C)N=CNC=O;UHVNBZAAFYWMDD-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285329;MM285329;CNN(C=O)C(=O)COC;GLHNIDVXWOBMCU-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285330;MM285330;CNC1(C#N)CC1CCO;ZEDMXKVPXWXGHD-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285331;MM285331;COC=NNCCNC=O;YVRPHQUSCDMJBK-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285332;MM285332;C=CC=NN=C(C)OC=C;SZWHFIQOJREUBH-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285333;MM285333;C=COC(C)=NN=CC=O;CVLOFZWUDAVUGM-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285334;MM285334;C=COC(C)=NN=CC#N;VWMRXIGTLQSGKR-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285335;MM285335;CC(=NN=CC=O)OC=O;GLFJRHWVYJPPND-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285336;MM285336;CC(=NN=CC#N)OC=O;FGFCGEDSLZYMCO-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285337;MM285337;C=CC=NN=C(C)ON=C;MSLZDOCNRCZHGS-UHFFFAOYSA-N;139.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285338;MM285338;C=NOC(C)=NN=CC=O;YOKZOVJYTYFKGT-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285339;MM285339;C=NOC(C)=NN=CC#N;FMYSKEIAYDKJSR-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285340;MM285340;C#CC=CC=C(C)CC=C;SHWBXQPAUMCVKY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285341;MM285341;C#CC=CC=C(C)CC=O;IFFWEMLZVUALJQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285342;MM285342;C#CC=CC=C(C)CC#N;DDUGEQCFIRRORU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285343;MM285343;C#CC=CC=C(F)CC=C;BXCJVFIIYNGDCB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285344;MM285344;C#CC=CC=C(F)CC#N;GPJMMFHLPJGQFF-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285345;MM285345;C#CC=CC=C(C)NC=O;MEYWTYKLQKQSBD-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285346;MM285346;C#CC=NN=C(C)CC=C;UNOJAMYJLXSKJU-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285347;MM285347;C#CC=NN=C(C)CC#N;XMKJXMYBLMXDEF-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285348;MM285348;C#CCNN=CCCCO;YQQHJXXFAUWKIZ-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285349;MM285349;C#CC=NN=C(C)OC=C;BUHCGCFZHQZMPE-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285350;MM285350;C#CC=NN=C(C)OC=O;VSOMNBHQUIUXLI-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285351;MM285351;C#CC=NN=C(C)ON=C;JKOYIPFEALVPJK-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285352;MM285352;C#CCC(C)=CC=CCC;UTPUFKBJSSGJBD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285353;MM285353;C#CCC(C)=CC=CCN;HKYPQDLCFXAEOS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285354;MM285354;C#CCC(C)=CC=CCO;QDSZDXISUXTGNY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285355;MM285355;C#CCC(C)=CC=CCF;HFBPZLQEVZSJHK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285356;MM285356;C#CCC(F)=CC=CCC;DNBNPSVPTRHKHG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285357;MM285357;C#CCC(F)=CC=CCO;UNRUYYHXUCLXOC-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285358;MM285358;C#CCC(C)=CC=COC;RYXNFKMPQAZPQV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285359;MM285359;C#CCC(F)=CC=COC;IEAQZVMROYFDHB-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285360;MM285360;C#CCC(C)=CC=NNC;NHRIWBLQJLASDJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285361;MM285361;C#CCC(C)=CC=NOC;SRBJGCDMQNLAHO-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285362;MM285362;NN=CON=CCCCO;NUDAQTUVCQSPRS-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285363;MM285363;C#CCC(C)=NN=CCC;RNRDICHHCKQHFH-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285364;MM285364;C#CCC(C)=NN=CCO;VGOWEHFEDZJGMJ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285365;MM285365;C#CCC(C)=NN=COC;KMDXRZHGGVNRAQ-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285366;MM285366;C#CCC(C)=CC=CC=C;USWWPIIWCIQCSD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285367;MM285367;C#CCC(C)=CC=CC=O;LTOKQUUHIURMPF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285368;MM285368;C#CCC(C)=CC=CC#N;FFPBFOJDQJZRRO-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285369;MM285369;C#CCC(F)=CC=CC=C;GGHVWFUCZNPOLJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285370;MM285370;C#CCC(C)=CC=NN=C;PQUCLZFSIZLCGM-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285371;MM285371;C#CCC(C)=NN=CC=C;XBTSTPAXGABBFQ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285372;MM285372;C#CCC(C)=NN=CC#N;ZBQKXVIFLKCLLS-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285373;MM285373;C#CC=CC=C(C)CC#C;XYQSOLRQALPUEV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285374;MM285374;C#CC=NN=C(C)CC#C;NOBYJSRJSFZTAB-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285375;MM285375;CC=CC(C)=CC=CCN;ZPSANMSUJZGMKD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285376;MM285376;CC=CC(C)=CC=CCO;UUSANUYWVAOCGS-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285377;MM285377;CC=CC(C)=CC=CCF;RYXWJWPMLWUHMN-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285378;MM285378;CC(C=CF)=CC=CCN;HCCSETDFYMFDNX-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285379;MM285379;CC(C=CF)=CC=CCO;OZIGSHQXYUUMOK-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285380;MM285380;CC(C=CF)=CC=CCF;FZUNUBOAXZUNCZ-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285381;MM285381;CC=CC(F)=CC=CCN;RFAZWCLBBARIKG-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285382;MM285382;CC=CC(F)=CC=CCF;XIKCULQKDJWZNE-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285383;MM285383;CC=CC(C)=CC=COC;VKJUKFHSPKHQBJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285384;MM285384;CCC=CC=C(C)C=NN;HQVQBJRLVGHYBL-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285385;MM285385;CC(C=NN)=CC=CCF;ZSJXKMBZPITIFI-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285386;MM285386;C=CC=NN=CCCCO;WERBRPQKFWMONE-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285387;MM285387;CC(C=NO)=CC=CCO;DPHDMBFKMZYYHC-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285388;MM285388;CC=CC(C)=CC=NNC;QXWVORBHYOSFGX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285389;MM285389;CNN=CC=C(C)C=CF;DSDQQOZWBGQNGF-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285390;MM285390;CC=CC(C)=CC=NOC;GWIZCVRCBJZGKV-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285391;MM285391;CC=CC(F)=CC=NOC;WFYCKVCBHIPVJL-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285392;MM285392;CCC=NN=C(C)C=CN;JMXJLCNYUWFAPB-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285393;MM285393;CC(C=CF)=NN=CCO;REYZQWLYLYICNS-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285394;MM285394;COC=NN=C(C)C=CF;BOOYKELHFMJYHN-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285395;MM285395;N=CNC(N)=NN=CCF;GFQWUPJCTQGPDT-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285396;MM285396;C=CC=CC=C(C)C=CC;XXPWYFYZPYNEFV-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285397;MM285397;CC=CC(C)=CC=CC=O;XAURARAVJGHHOU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285398;MM285398;CC=CC(C)=CC=CC#N;LFHBHWHUMYUKLN-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285399;MM285399;C=CC=CC=C(C)C=CF;WDJWKABMASOFDN-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285400;MM285400;CC(C=CF)=CC=CC#N;VVLOXJORGNPWTA-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285401;MM285401;C=CC=CC=C(F)C=CC;CLRRINCVYXXJMN-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285402;MM285402;CC=CC(F)=CC=CC=O;LQUNEDIHBROPMK-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285403;MM285403;C=CC=CC=C(F)C=NO;YRBSOKNGBOHLLL-UHFFFAOYSA-N;141.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285404;MM285404;C=NN=CC=C(C)C=CC;BHDIYVSLEPIACU-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285405;MM285405;C=NN=CC=C(N)C=CC;DLTAUYMRESMTPW-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285406;MM285406;C=NN=CC=C(F)C=CC;HFPNIGGPKLFCRA-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285407;MM285407;C=NN=CC=C(C)C=NO;ULBFDQADUZBJKX-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285408;MM285408;C=CC=NN=C(C)C=CC;INVFWMABHRNZHL-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285409;MM285409;CC(C=CN)=NN=CC=O;YOAWGOKLBVNRPH-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285410;MM285410;CC(C=CN)=NN=CC#N;PDCVJHDKQCQZJE-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285411;MM285411;C=CC=NN=C(C)C=CF;CACAYALTYKBTNK-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285412;MM285412;CC(C=CF)=NN=CC#N;XJWMWRPNWVGABJ-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285413;MM285413;O=CC=CC=CCNC=O;QYBMJDIQEFHJQR-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285414;MM285414;C=CC=NN=C(C)C=NO;ITKDCPDGOVYTQO-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285415;MM285415;N=CNC(N)=NC=CC=O;XXOYKSWTBCWPIR-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285416;MM285416;N=CN=CN=C(N)NC=N;SIYDOMRJNLYWHU-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285417;MM285417;C=NN=CN=C(N)NC=N;AQLWWTJOZRFBNQ-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285418;MM285418;C#CC=CC=C(C)C=CC;DKHNHVFZVGNWDQ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285419;MM285419;C#CC=CC=C(C)C=CF;QKHGURWAPKIVMZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285420;MM285420;C#CC=CC=C(F)C=CC;KREGPDHFGKXJJC-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285421;MM285421;C#CC=NN=C(C)C=CN;BGGRMHBZUISPEP-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285422;MM285422;C#CC=NN=C(C)C=CF;DVIAOSIVYHZOGX-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285423;MM285423;C=Cc1ncc2[nH][nH]cc1-2;FXBADRJKGQFRAP-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285424;MM285424;CC#CC(C)=CC=CCC;DNDWCHLKQUYVQL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285425;MM285425;CC#CC(C)=CC=CCN;TVEMKWNKBCODMB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285426;MM285426;CC#CC(C)=CC=CCO;GYNPTWGYRJDKGG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285427;MM285427;CC#CC(C)=CC=CCF;HFDHTTMCSMKEQU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285428;MM285428;CC#CC(F)=CC=CCC;KWCASTJIXHHIIA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285429;MM285429;CC#CC(F)=CC=CCN;ASFCEHHHNPNUBU-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285430;MM285430;CC#CC(F)=CC=CCO;DZHQARWKTXQBFL-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285431;MM285431;CC#CC(C)=CC=COC;RRXDXEPCVQRJPZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285432;MM285432;CC#CC(F)=CC=COC;ZHPMXXBFKKKUIW-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285433;MM285433;CC#CC(C)=CC=NNC;XGMUXXVLOXBAPA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285434;MM285434;CC#CC(F)=CC=NOC;XPDJMZDEOGZPJR-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285435;MM285435;CC#CC(C)=NN=CCC;RYRKTPCDCPVYRN-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285436;MM285436;CC#CC(C)=NN=CCO;BIRHLBWTDFNHQD-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285437;MM285437;CC#CC(C)=NN=COC;JBGUCEXJOBWTNM-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285438;MM285438;C=CC=CC=C(C)C#CC;PGULFQYEPVRHJN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285439;MM285439;CC#CC(C)=CC=CC=O;IHFLAMKAVZLVEU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285440;MM285440;C=NN=CC=C(C)C#CC;UXGYLNBTRWPJEG-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285441;MM285441;C=NN=CC=C(N)C#CC;RPJLAXMWRXXGEI-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285442;MM285442;C=CC=NN=C(C)C#CC;XJSOBIQGOBNCLG-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285443;MM285443;CC#CC(C)=NN=CC=O;DEAWOXDDGOLZPS-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285444;MM285444;CC#CC(C)=NN=CC#N;HLNJUNLZXUCXNM-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285445;MM285445;C#CC=CC=C(C)C#CC;MYRPKFJICXCFCG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285446;MM285446;C#CC=CC=C(F)C#CC;ULIMCXWZGOMMFU-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285447;MM285447;C#CC=NN=C(C)C#CC;FBDMJAIJKCJWST-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285448;MM285448;CCCC(C)=CC#CCN;POHBZQURJJQUOE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285449;MM285449;CCC#CC=C(C)CCN;BLWATUCHDKVANL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285450;MM285450;CC(CNC=O)=NN;WLHLZWTXNLOHIT-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285451;MM285451;CN1CC1CCCO;VCJNDYLKVWFLHW-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285452;MM285452;CCC#CC=C(F)CCC;UAMBYDSQHRPYQR-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285453;MM285453;CCCC(F)=CC#CCN;CUCWAGRCPZACBR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285454;MM285454;CCCC(F)=CC#CCO;ZWWSJUKIMPCOEZ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285455;MM285455;CCCC(F)=CC#CCF;SIRGITUYNNGQDJ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285456;MM285456;CCC#CC=C(C)CNC;PPRCCHRJIKGKCD-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285457;MM285457;CNCC(C)=CC#CCF;YBGNNHDKRAOBJY-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285458;MM285458;CCC#CC=C(C)COC;GUXQQYHFXKYHIU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285459;MM285459;COCC(F)=CC#CCN;ZFCJLCKOLKHVFZ-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285460;MM285460;COCC(F)=CC#CCO;FUQMYNDRQXYNCG-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285461;MM285461;CCC#CC=C(C)OCC;PBIPTAWLMQVANX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285462;MM285462;CCOC(C)=CC#CCN;NMVWDIVRIJAVLG-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285463;MM285463;CCOC(C)=CC#CCO;FJXPXSMFYORRCJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285464;MM285464;CCOC(C)=CC#CCF;ADMUHXBWUMUAQF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285465;MM285465;CCCC(C)=CC#CC#N;YEWRZVLKKVSWLP-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285466;MM285466;C=NNCCCCO;VBACJACUBLBZIB-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285467;MM285467;CC(=CC#CC#N)CCF;PSJALWIHYWZLFG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285468;MM285468;C=CC#CC=C(F)CCC;UBHNBTLSKICYKT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285469;MM285469;C=CC#CC=C(F)CCN;KXBCWIRNNYJVOZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285470;MM285470;C=CC#CC=C(F)CCO;JHPWWLYYYVMIOT-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285471;MM285471;N#CC#CC=C(F)CCO;KURJJXBFJXMTOH-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285472;MM285472;N#CC#CC=C(F)CCF;GBGFFFOBXNDHHG-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285473;MM285473;C=CC#CC=C(C)CNC;JTZIKGFSHLZCHE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285474;MM285474;CNCC(C)=CC#CC#N;BCVASVYPAAYGFW-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285475;MM285475;C=CC#CC=C(C)COC;XBIOAIUEYDCFNU-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285476;MM285476;COCC(C)=CC#CC#N;DFTGFAARULDFCA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285477;MM285477;COCC(F)=CC#CC=O;YUJFIJCMHOWEJU-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285478;MM285478;C=CC#CC=C(C)OCC;YPLWDPLAHIMKPX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285479;MM285479;CCOC(C)=CC#CC=O;IFSVFNUDGDUGQW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285480;MM285480;CCOC(C)=CC#CC#N;XODATMHKPOFCQB-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285481;MM285481;C#CC#CC=C(C)CCC;QGGKIIFAYODEEC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285482;MM285482;C#CC#CC=C(F)CCC;XUNKBBXTMOLYHR-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285483;MM285483;C#CC#CC=C(F)CCO;RQJHIAOLDCESDR-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285484;MM285484;C#CC#CC=C(C)CNC;KGCBWRCGULUFLR-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285485;MM285485;C#CC#CC=C(C)COC;GPNBSCSIBURKCG-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285486;MM285486;C#CC#CC=C(C)OCC;UYJVNQWRYBTZRI-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285487;MM285487;C=CCC(C)=CC#CCC;PMVMKIAFEFTSFU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285488;MM285488;C=CCC(C)=CC#CCO;RCSOZSQTEDGUHF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285489;MM285489;C=CC1(C)C=C(C)C(=N)N1;KARVONIBBXEWHN-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285490;MM285490;CC1=CC(C)(C=O)N=C1N;HLDJLXLAFFDBAH-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285491;MM285491;CC1=CC(C)(C#N)NC1=N;ARWGZEUMFNXJIT-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285492;MM285492;C=CC1(C)C=C(C)C(=O)N1;ZGTCYASZPNFNCE-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285493;MM285493;CC1=CC(C)(C#N)NC1=O;HBOAQNLZISESCW-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285494;MM285494;C=CC1(C)C=C(C)C(=C)O1;NQECDKHATXSHJL-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285495;MM285495;C=C1OC(C)(C#N)C=C1C;WLIOFHOVABKPJQ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285496;MM285496;C=CC1(C)C=C(F)C(=C)O1;RAAMDRVHSZSGGU-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285497;MM285497;C=CC1(C)C=C(C)C(=O)O1;WRWHUDVDZNGNDG-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285498;MM285498;CC1=CC(C)(C#N)OC1=O;XXSYNNBBXYIUOK-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285499;MM285499;C#CC1(C)C=C(C)C(=C)C1;PPUGUZFTUMFTHS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285500;MM285500;C#CC1(C)C=C(F)C(=C)C1;KXRDEAWDEFOZHD-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285501;MM285501;C#CC1(C)C=C(C)C(=O)C1;UOCOFHXOKOVCSQ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285502;MM285502;C#CC1(C)C=C(F)C(=O)C1;LGEGDWFTISDDOE-UHFFFAOYSA-N;138.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285503;MM285503;C#CC1(N)C=C(C)C(=C)C1;PZHLUMVCFZNJEB-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285504;MM285504;C#CC1(N)C=C(F)C(=C)C1;HORRUWGSBNEBKQ-UHFFFAOYSA-N;137.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285505;MM285505;C#CC1(O)C=C(C)C(=C)C1;GURCCVXGQYIGOW-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285506;MM285506;C#CC1(O)C=C(F)C(=C)C1;TZKUBNCSHYUEPF-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285507;MM285507;C#CC1(O)C=C(C)C(=O)C1;DZVVESFEIGADMP-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285508;MM285508;C#CC1(O)C=C(F)C(=O)C1;KHLXYULZAMJAIV-UHFFFAOYSA-N;140.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285509;MM285509;C#CC1(C)C=C(C)C(=N)N1;FLFJFSVLJOAROW-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285510;MM285510;C#CC1(C)C=C(F)C(=N)N1;IEXATALRWBZKPS-UHFFFAOYSA-N;138.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285511;MM285511;C#CC1(C)C=C(C)C(=O)N1;REBOHVNNNATQRT-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285512;MM285512;C#CC1(C)C=C(F)C(=O)N1;GBXARUMNWPLWMC-UHFFFAOYSA-N;139.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285513;MM285513;C#CC1(C)C=C(C)C(=C)O1;YGSKMYKRVWHOQC-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285514;MM285514;C#CC1(C)C=C(F)C(=C)O1;CTMJQEZJQKNFCG-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285515;MM285515;C#CC1(C)C=C(C)C(=O)O1;ARCAJDQPUFVQIN-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285516;MM285516;CCC1(C)C=C(C)C(C)=C1;GNPWLVCROLSQCO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285517;MM285517;CC1=CC(C)(CN)C=C1C;XBOQFDRFFHCTQO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285518;MM285518;CCCOC=NNCCO;HYCAXOAQZDSHIP-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285519;MM285519;CCC1(C)C=C(C)C(F)=C1;DPFGINCHPFOQJY-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285520;MM285520;CCC1(N)C=C(C)C(C)=C1;RDCUUYWZWVOIEQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285521;MM285521;CC1=CC(N)(CN)C=C1C;WCTWGFYPFXOKSB-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285522;MM285522;CCC1(N)C=C(C)C(F)=C1;BYMFEDKQXCCDNU-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285523;MM285523;OCCNN=COCCF;LMJRZMLCESWJGJ-UHFFFAOYSA-N;150.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285524;MM285524;CC1=CC(O)(CN)C=C1C;ZOBXVWNOMYFFPX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285525;MM285525;CCC1(O)C=C(C)C(F)=C1;RXFAPHJXGUUBFF-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285526;MM285526;CCC1(F)C=C(C)C(C)=C1;PCUZOQZTJXXGAC-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285527;MM285527;CC1=CC(F)(CN)C=C1C;JAVLWXVXWFIKTA-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285528;MM285528;CCC1(F)C=C(C)C(F)=C1;DZNZEERKFCCSBK-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285529;MM285529;CNC1(C)C=C(C)C(C)=C1;CVXMWSQLEBLNKU-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285530;MM285530;C=CC1(C)C=C(C)C(C)=C1;ZSRNUGVFJNEGBJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285531;MM285531;CC1=CC(C)(C=O)C=C1C;LIUXMWSLENTWLB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285532;MM285532;CC1=CC(C)(C#N)C=C1C;DZBJKCVIYAZNGC-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285533;MM285533;C=CC1(C)C=C(C)C(F)=C1;IHEWZTRCRKBQAU-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285534;MM285534;CC1=CC(C)(C#N)C=C1F;SEOJZEQAIAUYLN-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285535;MM285535;C=CC1(N)C=C(C)C(C)=C1;BHCVAJILEWDUPM-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285536;MM285536;C=CC1(N)C=C(C)C(F)=C1;VKIPLCGMJDSAKL-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285537;MM285537;O=CCCC=NNCCO;DAIMHOOPGUTLQT-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285538;MM285538;CC1=CC(O)(C=O)C=C1C;LZLAXSDBERPDIK-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285539;MM285539;CC1=CC(O)(C#N)C=C1C;WHFAJWVFPCBOIT-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285540;MM285540;C=CC1(O)C=C(C)C(F)=C1;LWTUURPMTKFZGC-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285541;MM285541;CC1=CC(O)(C#N)C=C1F;AEKZQDBGPOGBOK-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285542;MM285542;C=CC1(F)C=C(C)C(C)=C1;MQXCXDYOWXMLPR-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285543;MM285543;CC1=CC(F)(C=O)C=C1C;UAZBWTDFVMHRDJ-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285544;MM285544;C=CC1(F)C=C(C)C(F)=C1;KOWVEPJOYRDMGJ-UHFFFAOYSA-N;142.15;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285545;MM285545;C#CC1(C)C=C(C)C(C)=C1;RTEQQOQBJRQXHB-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285546;MM285546;C#CC1(C)C=C(C)C(F)=C1;XQRDURWEEZBOFL-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285547;MM285547;C#CC1(O)C=C(C)C(C)=C1;RKUDRNQDNKXVFX-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285548;MM285548;C#CC1(O)C=C(C)C(F)=C1;FYGIHARKGBHWDS-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285549;MM285549;CCC1(C)CC(C)=C(C)C1;UORWCSSSEIDXMQ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285550;MM285550;CC1=C(C)CC(C)(CN)C1;HMUMZKYUISXROW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SN0";;;;;;;2.87;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285551;MM285551;C#CCOC=NNCCO;HEZSVBSHJSCQPG-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285552;MM285552;CC1=C(C)CC(C)(CF)C1;FOHFZUQRCIMMOT-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285553;MM285553;CCC1(C)CC(C)=C(F)C1;PHKSMVLLZWQTHR-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285554;MM285554;CC1=C(F)CC(C)(CN)C1;KZEMTIBOWJNEOA-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285555;MM285555;CC1=C(F)CC(C)(CO)C1;WCOAWLBMKHTJDN-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285556;MM285556;CCC1(N)CC(C)=C(C)C1;YCTOJKCSMLBRLU-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285557;MM285557;CC1=C(C)CC(N)(CN)C1;FQDZHHIIUMEQHD-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285558;MM285558;CC1=C(C)CC(N)(CO)C1;CYNGRILIFSRVFJ-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285559;MM285559;CC1=C(C)CC(N)(CF)C1;NWTGRVSPUFSKGC-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285560;MM285560;CCC1(N)CC(C)=C(F)C1;VFIJEDLVPXWKIZ-UHFFFAOYSA-N;143.21;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285561;MM285561;CC1=C(F)CC(N)(CN)C1;REFGKRFVUXIZDG-UHFFFAOYSA-N;144.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285562;MM285562;CC1=C(F)CC(N)(CO)C1;XGBJXFUCSWDYKW-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285563;MM285563;CC1=C(F)CC(N)(CF)C1;KWWACJVFEFOEJV-UHFFFAOYSA-N;147.17;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285564;MM285564;CC=COC=NNCCO;PDHPMXIWEOVCFE-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285565;MM285565;CC1=C(C)CC(O)(CN)C1;YLACQGCQGVOFEA-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285566;MM285566;CC1=C(C)CC(O)(CO)C1;UNBZGKPZAKABSA-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285567;MM285567;CC1=C(C)CC(O)(CF)C1;BGGAUFFPRWABDA-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285568;MM285568;CCC1(O)CC(C)=C(F)C1;CPHUYDOHODEHIT-UHFFFAOYSA-N;144.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285569;MM285569;CC1=C(F)CC(O)(CN)C1;PXTUZTRKBDRZNJ-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285570;MM285570;CC1=C(F)CC(O)(CO)C1;INFLIRSXPCFNBG-UHFFFAOYSA-N;146.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285571;MM285571;CCC1(F)CC(C)=C(C)C1;CUZKGPRKVSSEAN-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285572;MM285572;CC1=C(C)CC(F)(CN)C1;ZWWJHFYYOCAWCK-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285573;MM285573;CCC1(F)CC(C)=C(F)C1;PITOYFHBQQNISV-UHFFFAOYSA-N;146.18;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285574;MM285574;CNC1(C)CC(C)=C(C)C1;OMDJYQLLQBWHAU-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285575;MM285575;CNC1(C)CC(C)=C(F)C1;CKIWVZXPZKTNSQ-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285576;MM285576;COC1(C)CC(C)=C(C)C1;JCWBFUWWITVGKM-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285577;MM285577;COC1(C)CC(C)=C(F)C1;KWORVUQLLKHPMJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285578;MM285578;CCC1(C)CC(C)=C(C)O1;YGCJZPCBWHXLCN-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285579;MM285579;COC1(C)CC(F)=C(C)O1;MCCLFVXFFUMRFR-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285580;MM285580;C=CC1(C)CC(C)=C(C)C1;GMVPFCOSOUURPI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285581;MM285581;CC1=C(C)CC(C)(C=O)C1;LULPEWFSYGDTRL-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285582;MM285582;CC1=C(C)CC(C)(C#N)C1;ZIHYZTRNTYEROQ-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285583;MM285583;C=CC1(C)CC(C)=C(F)C1;QKYGBCOYKVCKKF-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285584;MM285584;CC1=C(F)CC(C)(C=O)C1;AWVHGMJTVILMIB-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285585;MM285585;CC1=C(F)CC(C)(C#N)C1;HOWBOJHFIALLRT-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285586;MM285586;C=CC1(N)CC(C)=C(C)C1;MXIGPQLKLQCEHW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285587;MM285587;C=CC1(N)CC(C)=C(F)C1;QNVPNPLSXKRREF-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285588;MM285588;NN=COC=NNCCO;MJSBJROHHLXJIO-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285589;MM285589;CC1=C(C)CC(O)(C=O)C1;FCBKPIDGNKULKT-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285590;MM285590;CC1=C(C)CC(O)(C#N)C1;KHSKZWJNIOSQQN-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285591;MM285591;C=CC1(O)CC(C)=C(F)C1;JZRHJCLNLLQQJB-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285592;MM285592;CC1=C(F)CC(O)(C=O)C1;YMZVFNOCBWKBCW-UHFFFAOYSA-N;144.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285593;MM285593;CC1=C(F)CC(O)(C#N)C1;HUZAHPREIWRRNV-UHFFFAOYSA-N;141.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285594;MM285594;C=CC1(F)CC(C)=C(C)C1;DFQIDUYNAQRQGP-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285595;MM285595;CC1=C(C)CC(F)(C=O)C1;PEZYZYUEINHPHN-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285596;MM285596;CC1=C(C)CC(F)(C#N)C1;CYQAOBHKPBNOQT-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285597;MM285597;C=CC1(F)CC(C)=C(F)C1;PTDVWIRZSREZAV-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285598;MM285598;CC1=C(F)CC(F)(C=O)C1;KEQAPCJGNNSNCW-UHFFFAOYSA-N;146.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285599;MM285599;CC1=C(F)CC(F)(C#N)C1;UQTLGXDVVBIKEB-UHFFFAOYSA-N;143.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285600;MM285600;C=CC1(C)CC(C)=C(C)O1;KHZQRXNEPOSLEV-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285601;MM285601;CC1=C(C)OC(C)(C#N)C1;UUFGGMCRHAVMFB-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285602;MM285602;C=CC1(C)CC(F)=C(C)O1;INJCXZGLCQCLPL-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285603;MM285603;C#CC1(C)CC(C)=C(C)C1;YPNXURRPWUCXBM-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285604;MM285604;C#CC1(C)CC(C)=C(F)C1;PBXONRCTNJEBNH-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285605;MM285605;C#CC1(N)CC(C)=C(C)C1;NRKNAOMLWAVWNN-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285606;MM285606;C#CC1(N)CC(C)=C(F)C1;XNFFYZLVICFZKJ-UHFFFAOYSA-N;139.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285607;MM285607;C#CC1(O)CC(C)=C(C)C1;VAIAYOKWMJKLIL-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285608;MM285608;C#CC1(O)CC(C)=C(F)C1;GEMLPNFTTNFJDP-UHFFFAOYSA-N;140.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285609;MM285609;C#CC1(F)CC(C)=C(C)C1;ZXDQDIJUIKTWNZ-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285610;MM285610;C#CC1(F)CC(C)=C(F)C1;OFPVQDRCIUABSF-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285611;MM285611;C#CC1(C)CC(C)=C(C)O1;QOLKHOYBHDRVEC-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285612;MM285612;CC(C)C(C)CC1(C)CC1;KINXVALVTCILEM-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285613;MM285613;CON=CC#CC=CCO;RPCAPOLWIDFIMS-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285614;MM285614;CC(F)C(C)CC1(C)CC1;KDJJRMLDNQKZTQ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285615;MM285615;CC(C)C(N)CC1(C)CC1;FRTKJQMZCDBXBJ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285616;MM285616;CC(O)C(N)CC1(C)CC1;LCQXRIXIWXZRLX-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285617;MM285617;CC(C)=NNCCO;HBCPQZQDEGROGH-UHFFFAOYSA-N;116.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285618;MM285618;CC(N)C(O)CC1(C)CC1;BRPXAUUOSSFIFM-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285619;MM285619;CC(C)C(F)CC1(C)CC1;RMIAREGLQQIHRW-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285620;MM285620;CC(N)C(F)CC1(C)CC1;QPJAQJHLMKUTRI-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285621;MM285621;CC(C)C(C)CC1(N)CC1;QAAPFWDASFCVOD-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285622;MM285622;CC(O)C(N)CC1(N)CC1;ZKGCFXBDZKHZSN-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285623;MM285623;CC(C)C(O)CC1(N)CC1;NUMDMOUBAINBRB-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285624;MM285624;CC(N)C(O)CC1(N)CC1;IVUDTZJUZXTKBP-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285625;MM285625;CC(O)C(O)CC1(N)CC1;CKWJGVFXVZZJET-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285626;MM285626;CC(C)C(F)CC1(N)CC1;QHYIYBGCBGKZEZ-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285627;MM285627;C=NN(C=O)CC=O;CYEFDSLSIHHCCH-UHFFFAOYSA-N;114.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285628;MM285628;CC(C)C(O)CC1(O)CC1;BPRFRRCOKPRFOA-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285629;MM285629;CC(C)C(F)CC1(O)CC1;LTUWXYULHFOLPY-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285630;MM285630;CC(C)C(C)CC1(F)CC1;QLGOBUQJORVWPL-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285631;MM285631;CC(N)C(C)CC1(F)CC1;LRVJNTWKDOBERL-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285632;MM285632;CC(C)C(N)CC1(F)CC1;WNHWJSUECQOCSO-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285633;MM285633;CC(O)C(O)CC1(F)CC1;MAMJLLAEMHHNAS-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285634;MM285634;CC(C)C(C)NC1(C)CC1;HPJBWSQYXQJVEX-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285635;MM285635;CC(O)C(C)NC1(C)CC1;FDJHCUZMGMETIG-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285636;MM285636;CC(C)C(C)OC1(C)CC1;DGGZXGCWSYEJLP-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285637;MM285637;CC(O)C(C)OC1(C)CC1;FCRORLZDVILHSB-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285638;MM285638;CC(CC1(O)CC1)N(C)C;SPMPAGKYZPRSIP-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285639;MM285639;CC(C)N(C)CC1(C)CC1;GGQSBAQPFVAEKF-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285640;MM285640;CC(C)N(C)CC1(N)CC1;SCVASJAZMSTHAR-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285641;MM285641;CC(C)N(C)CC1(O)CC1;VCDDEEIVXXOETE-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285642;MM285642;CC(C)N(C)CC1(F)CC1;YHKLLZOUHFVBMX-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285643;MM285643;CC(C)C(N)CC1(C)CN1;SMVUJRMHYBHFAH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285644;MM285644;CC(CC1(C)CN1)N(C)C;IZXLEENOFUOBSV-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285645;MM285645;CC(C)N(C)CC1(C)CN1;WSCQKSNATMNZHA-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285646;MM285646;CC(C)C(C)CC1(C)CO1;NKMIPRMZOOWTOB-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285647;MM285647;CC(O)C(C)CC1(C)CO1;TWKTZIJKYWKXMA-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285648;MM285648;CC(F)C(C)CC1(C)CO1;LHOWDNGKMJMNGZ-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285649;MM285649;CC(C)C(N)CC1(C)CO1;YXRXWTYQRUETRO-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285650;MM285650;CC(O)C(N)CC1(C)CO1;HVRZIBVLLVDVRP-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285651;MM285651;CC(C)C(O)CC1(C)CO1;MHNOPTXOCJXSCJ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285652;MM285652;CC(C)C(F)CC1(C)CO1;YIHGQRJBVXDKJT-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285653;MM285653;CC(C)N(C)CC1(C)CO1;CUJPXPFUJHOTOH-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285654;MM285654;C=C(C)C(C)CC1(C)CC1;ZAGSZCDIQCNMHO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285655;MM285655;CC(CC1(C)CC1)C(=N)N;IMWYHBRJKFWFSZ-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285656;MM285656;C=C(C)C(N)CC1(C)CC1;SNMZNPPRJZGGDH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285657;MM285657;OCCNN=CCF;UNDSCQUQFQXAHC-UHFFFAOYSA-N;120.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285658;MM285658;C=C(C)C(F)CC1(C)CC1;OACODYMMCKYEAC-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285659;MM285659;CC1(CC(F)C(=N)N)CC1;QGHKVTMLOCXWRU-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285660;MM285660;C=C(C)C(C)CC1(N)CC1;WUYIYQIJEYRJTH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285661;MM285661;CC(CC1(N)CC1)C(N)=O;RDBUANZMKSKVHB-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285662;MM285662;C=C(C)C(N)CC1(N)CC1;ZEUYNBKFMZMACN-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285663;MM285663;C=C(C)C(O)CC1(N)CC1;VOCIKUYMVDSXHF-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285664;MM285664;N=C(N)C(F)CC1(N)CC1;VSIPETNLOPMKRI-UHFFFAOYSA-N;145.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285665;MM285665;C#CC=NNCCO;HQPGQFAPMXGBGK-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285666;MM285666;CC(CC1(O)CC1)C(=N)N;WBLUVFZLCNARQF-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285667;MM285667;C=C(C)C(N)CC1(O)CC1;VXVDICGVJHFUOI-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285668;MM285668;C=C(C)C(O)CC1(O)CC1;NCDLMEJCDVYTEC-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285669;MM285669;C=C(C)C(N)CC1(F)CC1;AWIZVHLXYHDGNO-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285670;MM285670;C=C(C)C(O)CC1(F)CC1;XTSCKCUVYHATPN-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285671;MM285671;C=C(C)C(C)NC1(C)CC1;MDVXMYDOAZAAIX-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285672;MM285672;CC(=N)N(C)CC1(C)CC1;SNJKKVQDXHWLFV-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285673;MM285673;CC(=O)N(C)CC1(C)CC1;QCYWXUAUIMZGKU-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285674;MM285674;CN(CC1(C)CC1)C(=N)N;IGHWIAKMZBJEKN-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285675;MM285675;CC(=N)N(N)CC1(C)CC1;AOBVKBZYSYJWJD-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285676;MM285676;CC(=O)N(N)CC1(C)CC1;IMSVWEVTHHKMSY-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285677;MM285677;CC(=N)N(C)CC1(N)CC1;AVMMTGJVLZOOKD-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285678;MM285678;CC(=O)N(C)CC1(N)CC1;CAEHEVRTISSYRV-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285679;MM285679;CC(=N)N(C)CC1(O)CC1;UGWDWWGIAUMGBL-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285680;MM285680;CC(=O)N(C)CC1(O)CC1;UYZQNJNWTZNDQA-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285681;MM285681;CC(=N)N(N)CC1(O)CC1;YMUMDUPKUORQGJ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285682;MM285682;C=C(CC(C)O)C(N)=O;QPQCWUJJQJWUJM-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285683;MM285683;CC(=N)N(C)CC1(F)CC1;UTFZDIYJMODRND-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285684;MM285684;CC(=N)N(N)CC1(F)CC1;ISQOYANHLZSDRV-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285685;MM285685;CC(=O)N(N)CC1(F)CC1;QKQBWUXZNGTLHX-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285686;MM285686;CC(=N)N(C)NC1(C)CC1;WUPHGHOWDMZMEJ-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285687;MM285687;CC(=O)N(C)NC1(C)CC1;UGEDEUDUTFDBEE-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285688;MM285688;CC(=N)N(C)OC1(C)CC1;ZYQQHXRLBNKCDY-UHFFFAOYSA-N;142.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285689;MM285689;CC(=O)N(C)OC1(C)CC1;RMRIHJKQMKYBTF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285690;MM285690;C=C(C)C(N)CC1(C)CN1;WLGRXYPVGHTEJI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285691;MM285691;CC(=N)N(C)CC1(C)CN1;MJTUHHBAERDKIQ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285692;MM285692;CC(=N)N(N)CC1(C)CN1;NFEJFONSBBGEQI-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285693;MM285693;C=CC(CC(C)O)=NN;CSQQSWJRPGVUAX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285694;MM285694;C=C(C)C(C)CC1(C)CO1;VQMDJGRHSQWBCA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285695;MM285695;CC(CC1(C)CO1)C(=N)N;FRPJIFZYADZMNB-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285696;MM285696;C=C(C)C(N)CC1(C)CO1;RDERGOLHRIIZCF-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285697;MM285697;CC1(CC(N)C(=N)N)CO1;ODQISPYFYBKHGU-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285698;MM285698;C=C(C)C(O)CC1(C)CO1;TXCWXECVINIYOD-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285699;MM285699;CC1(CC(O)C(=N)N)CO1;HVARIZMGFSUYHB-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285700;MM285700;CC(=O)N(N)CC1(C)CO1;ITSYVCYBSWTARD-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285701;MM285701;C=C(CC1(C)CC1)C(C)C;YTWYZMNJAGNNFY-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285702;MM285702;C=C(CC1(C)CC1)C(C)N;YITCBKPCKCWVHD-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285703;MM285703;CC(F)C=NNCCO;YIFPGZVANSRGJE-UHFFFAOYSA-N;134.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285704;MM285704;CC(C)C(=O)CC1(C)CC1;WSAXOBVCLKBEDH-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285705;MM285705;CC(O)C(=O)CC1(C)CC1;LYFGFHMVELDDGH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285706;MM285706;C=C(CC1(N)CC1)C(C)C;OJVCZSJZBDXXKU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285707;MM285707;C=C(CC1(N)CC1)C(C)N;NUMGALJSBWEEJT-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285708;MM285708;C=C(F)C=NNCCO;YUJUEYCKBWKSGL-UHFFFAOYSA-N;132.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285709;MM285709;C=C(CC1(O)CC1)C(C)N;BASNSBFOOQUQLH-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285710;MM285710;C=C(CC1(O)CC1)C(C)O;KNMMSVOCSCCQJC-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285711;MM285711;CC(C)C(=O)CC1(O)CC1;VAHYTNSTRQPBSD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285712;MM285712;CC(O)C(=O)CC1(O)CC1;HFFOYDIESWJPTG-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285713;MM285713;C=C(CC1(F)CC1)C(C)C;AEWPNGUMVLBICA-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285714;MM285714;C=C(CC1(F)CC1)C(C)N;DAKKSYVQYOQSOR-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285715;MM285715;CC(C)C(=O)CC1(F)CC1;YOOQXPPOIPBFPW-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285716;MM285716;CC(C)C(=N)NC1(C)CC1;ZJITUDXSNKJPFJ-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285717;MM285717;CC(N)C(=N)NC1(C)CC1;PNVMUPMIEUACDM-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285718;MM285718;C=CCON=CC(N)=O;DAWRWDIHHBGTIP-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285719;MM285719;C=C(OC1(C)CC1)C(C)C;SPRYYNPDOVBHKC-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285720;MM285720;C=C(OC1(C)CC1)C(C)N;NRJLNWWRMBFPQM-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285721;MM285721;C=C(OC1(C)CC1)C(C)O;WUEFAAWHDRYHES-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285722;MM285722;CC(C)C(=O)OC1(C)CC1;JIPCPZWTVFYYIB-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285723;MM285723;CC(F)C(=O)OC1(C)CC1;SHLPVLBYGMSSTI-UHFFFAOYSA-N;146.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285724;MM285724;CN(C)C(=N)CC1(C)CC1;JDLWUVAYQGJJGV-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285725;MM285725;CN(C)C(=O)CC1(C)CC1;GLMQAQQZCAFODU-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285726;MM285726;CN(C)C(=N)CC1(N)CC1;KFQSRHCYODUMFY-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285727;MM285727;CN(C)C(=N)CC1(O)CC1;YOIZDHGZUSUZAI-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285728;MM285728;CN(C)C(=N)CC1(F)CC1;FYAKQCHRXSFTNT-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285729;MM285729;CN(C)C(=N)NC1(C)CC1;USBAWDBKXDCUBR-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285730;MM285730;CN(C)C(=N)OC1(C)CC1;SWQFMYNOEAOGEZ-UHFFFAOYSA-N;142.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285731;MM285731;C=C(CC1(C)CN1)C(C)N;GQRDANVJRSAEID-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285732;MM285732;CN(C)C(=N)CC1(C)CN1;AWAINFYHFHNLMV-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285733;MM285733;C=C(CC1(C)CO1)C(C)C;DWSNOQSDSTWZKW-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285734;MM285734;C=C(CC1(C)CO1)C(C)N;KULRLMBKWUICIN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285735;MM285735;CC(C)C(=O)CC1(C)CO1;RTGJWIVZYOLZBH-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285736;MM285736;CN(C)C(=N)CC1(C)CO1;GGGBGMMWWAETSR-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285737;MM285737;C=C(C)C(=C)CC1(C)CC1;KOYPXBWMOUSYHZ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285738;MM285738;C=C(CC1(C)CC1)C(C)=O;GOJGKVYOTUDSRY-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285739;MM285739;C=C(C)C(=O)CC1(C)CC1;PVMYIVREJAJHIB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285740;MM285740;CC(=O)C(=O)CC1(C)CC1;GJEODQPYSIEGNG-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285741;MM285741;C=C(C)C(=C)CC1(N)CC1;FCTDRTDPRKTSAF-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285742;MM285742;C=C(CC1(N)CC1)C(=N)N;OJBNIACKQCTHNB-UHFFFAOYSA-N;139.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285743;MM285743;C#CCNN(C)C(N)=O;GYRVUKHMEZPLNM-UHFFFAOYSA-N;127.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285744;MM285744;C=C(CC1(O)CC1)C(C)=O;HSQFYIUVUBTMRL-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285745;MM285745;C=C(CC1(O)CC1)C(=N)N;AQIREICCLKCCHW-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285746;MM285746;C=C(C)C(=O)CC1(O)CC1;PDJTXCORWZIXOX-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285747;MM285747;C=C(C)C(=C)CC1(F)CC1;SXNPGMVKMAGOIF-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285748;MM285748;C=C(CC1(F)CC1)C(C)=O;DJSNEFJQKJKPLG-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285749;MM285749;C=C(CC1(F)CC1)C(=N)N;UJTSMMKOWBYBSO-UHFFFAOYSA-N;142.18;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285750;MM285750;C=C(C)C(=O)CC1(F)CC1;NPBXGBVJGXDXPO-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285751;MM285751;C=C(C)C(=N)NC1(C)CC1;ZGVDSFZWJBCZLW-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285752;MM285752;CC=C(CC#N)C(N)=O;AZLLUCOKZNXVJQ-UHFFFAOYSA-N;124.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285753;MM285753;CC1(NC(=N)C(=N)N)CC1;ALIZUTQDKGUVQL-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285754;MM285754;CC1C(=O)OC(=N)N1N;UJODOGDOVRPVQQ-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285755;MM285755;C=C(C)C(=C)OC1(C)CC1;DIWBLUVXOJBCFG-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285756;MM285756;C=C(OC1(C)CC1)C(C)=O;LZBSLLSCJMBUFH-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285757;MM285757;C=C(OC1(C)CC1)C(=N)N;VPMOOIRGWCUSAQ-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285758;MM285758;C=C(C)C(=O)OC1(C)CC1;NJCGLCYUCSWEOK-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285759;MM285759;C=C(C)C(=C)CC1(C)CO1;SLVUZMANSLFXQK-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285760;MM285760;C=C(CC1(C)CO1)C(C)=O;ZPCUXAQZEULYAE-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285761;MM285761;C=C(C)C(=O)CC1(C)CO1;SVMXSOSRDOJIAX-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285762;MM285762;CC(=O)C(=O)CC1(C)CO1;DQLDTOSOMHJEGD-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285763;MM285763;CC(C)C1(C)CC1(N)CN;GXRANNKTWOTMIZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285764;MM285764;CC(C)C1(C)NC1(C)CN;WJEGNPIQBXCDLD-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285765;MM285765;CC1(CN)CC(O)C1(C)C;MDVJGQACLHZKLN-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285766;MM285766;CC1(CO)CC(O)C1(C)C;UQABZKLBYFAQIN-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285767;MM285767;CN1CC(C)(CN)C1(C)C;ROCCTSOYJAEUKX-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285768;MM285768;CN1CC(C)(CO)C1(C)C;ZYNNACBNVLKQLU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285769;MM285769;CC1NC(C)(C=O)C1(C)C;OFLVNLFWRLBIOI-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285770;MM285770;CNC1(C)CC(=O)C1(C)C;QUKHYPCJODMTHU-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285771;MM285771;C=CC1(C)CC(=O)C1(C)C;CUHNYVNMISIJHN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285772;MM285772;CC1(C=O)CC(=O)C1(C)C;PVFQCNQCHFIDLJ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285773;MM285773;CC1(C)C(=O)CC1(O)C=O;ZAQWCOWIOBRPRN-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285774;MM285774;CN(C)C(C)(C)C1(C)CC1;XTPCRAZTVOPMQU-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285775;MM285775;CN(C)C(C)(C)C1(N)CC1;SEFADZLSLNEADX-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285776;MM285776;CN(C)C(C)(C)C1(O)CC1;JTTKJXXNMSWGLO-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285777;MM285777;CN(C)C(C)(C)C1(F)CC1;NRPXOUDCTYWAPC-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285778;MM285778;CN(C)C(C)(C)C1(C)CN1;NVHPBDYNFPLBCE-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285779;MM285779;CN(C)C(C)(C)C1(C)CO1;WBINWZRSSJSYQE-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285780;MM285780;CC(C)C1CC1C(C)(C)C;CSLQJAWEQQWTKS-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285781;MM285781;CC(N)C1CC1C(C)(C)C;GXVGRBGMHDOQOT-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285782;MM285782;CC1CC(F)(F)C2CC12N;NJZQNHPGGZOLCT-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285783;MM285783;CN1CC(C)(C)C2CC21C;ULOZHCHVHBLBTQ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285784;MM285784;CN1CC(C)(O)C2CC21C;YCVRJGDWKIWUTJ-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285785;MM285785;CC#CC12CCC(C)(C1)C2;QFOQYDSHUNEHIY-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285786;MM285786;CC#CC12CCC(N)(C1)C2;KSKWFOLFQWCAJM-UHFFFAOYSA-N;135.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285787;MM285787;NN=CCOC=CCO;VKTCJJOYGVLFFY-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285788;MM285788;CC#CC12CCC(F)(C1)C2;CFBLZHROXYTHKP-UHFFFAOYSA-N;138.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285789;MM285789;CC#CC12COC(C)(C1)C2;HYVOTSQLVKWZQT-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285790;MM285790;CC#CC12CC(C)(CO1)C2;XZSIVYZQEZCIJM-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285791;MM285791;CC#CC12CC(N)(CO1)C2;SQMONGBTAZXHTE-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285792;MM285792;CC#CC12CC(O)(CO1)C2;HWCBBRQZRLDYOE-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285793;MM285793;CC#CC12CC(F)(CO1)C2;UVHWCXBGABQGCT-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285794;MM285794;CC#CC12CCC(C)(C1)N2;PCPZTWXHJAXYEF-UHFFFAOYSA-N;135.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285795;MM285795;CC#CC12CCC(C)(C1)O2;IMUCXTALQRYVAT-UHFFFAOYSA-N;136.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285796;MM285796;CC#CC12C=CC(C)(C1)C2;SIRKJOXLQNJLQO-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285797;MM285797;CC#CC12C=CC(N)(C1)C2;KQBOLPNNTWBHAY-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285798;MM285798;CNN=COC=CCO;ZCCUQRJCJDCDAH-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285799;MM285799;CC#CC12C=CC(F)(C1)C2;CPULJUIQJSEXDY-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285800;MM285800;CC#CC12C=CC(C)(C1)O2;ZFFFUVYPLOTUDT-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285801;MM285801;CCC12CC1CC(C)(C)C2;PFTNHNJPIAANPR-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285802;MM285802;CC1(C)CC2CC2(CN)C1;FCLNNEHYSZEYMK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285803;MM285803;COCC=NNCCO;QEPKMERKLGQFJV-UHFFFAOYSA-N;132.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285804;MM285804;CCC12CC1CC(C)(N)C2;YSCOVSKAMYKFMD-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285805;MM285805;CC1(N)CC2CC2(CN)C1;SNABZGLRYPEALJ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285806;MM285806;CC1(N)CC2CC2(CO)C1;HQFITMOBVQJXRK-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285807;MM285807;C=CCC=NNCCO;SKLGLSBYGCFPBT-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285808;MM285808;CCC12CC1CC(C)(F)C2;LYVSMYIHUCOYFN-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285809;MM285809;CCC12CC1CC(F)(F)C2;HNVGCFQIUORDNK-UHFFFAOYSA-N;146.18;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285810;MM285810;NCC12CC1CC(F)(F)C2;INCNDRIADHKAMC-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285811;MM285811;CNC12CC1CC(C)(C)C2;RYFQBWMLYYDLHO-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285812;MM285812;CNC12CC1CC(C)(N)C2;GBQQVHVXIFQFBN-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285813;MM285813;COC12CC1CC(C)(N)C2;BVNFVIOEMGYSKU-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285814;MM285814;CCC12CC1NC(C)(C)C2;OONHWGWMKHQRNU-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285815;MM285815;CC1(C)CC2(CN)CC2N1;UQDWHWMMYTWQEZ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285816;MM285816;CCC12CC1CC(C)(C)N2;HIKMFAHDSONMDZ-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285817;MM285817;CC1(C)CC2CC2(CN)N1;VKACRTOVXYUUGE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285818;MM285818;CC1(C)CC2CC2(CO)N1;SJWQKYHMVBBMCA-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285819;MM285819;CCC12CC1CC(C)(C)O2;HHZPUTQJSVHKIE-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285820;MM285820;CC1(C)CC2CC2(CN)O1;VHZLFKYNKFFSJF-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285821;MM285821;CCC12CC(C)(N)CC1N2;CAAADHVSBRKOJY-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285822;MM285822;CC1(N)CC2NC2(CN)C1;ALYSPUIKTIXGNU-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285823;MM285823;CC1(N)CC2NC2(CO)C1;QCELXYVHHQCSEF-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285824;MM285824;C#CCC=NNCCO;RNJXOCKFFQMWOE-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285825;MM285825;NCC12CC(F)(F)CC1N2;CDJCMFSEZMQOQJ-UHFFFAOYSA-N;148.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285826;MM285826;CC1(C)CC2OC2(CN)C1;RIOYAVXNZMVIBI-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285827;MM285827;CCC12CC(C)(N)CC1O2;IZMUPFXRFJSVJK-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285828;MM285828;CC1(N)CC2OC2(CN)C1;OOPTVYOCFYVQKH-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285829;MM285829;CC1(O)CC2OC2(CN)C1;MWJYXKCYVYSCRB-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285830;MM285830;CCC12CC(C)(F)CC1O2;BMJRLQOJUPVTNQ-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285831;MM285831;CC1(F)CC2OC2(CN)C1;YCKOQQBSRCLPBI-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285832;MM285832;CC1C(C)(C)NC2CC21C;HRVGXOUWNMBGGK-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285833;MM285833;CC1CC1(C)C1CC1(C)C;OYXGUCBWLADAQA-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285834;MM285834;CC1(C)CC1C1(C)CC1N;RRACHLYCGWEGLF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285835;MM285835;CC=CC=NNCCO;JPKGZIMRTPNARO-UHFFFAOYSA-N;128.18;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285836;MM285836;CC1CC1(C)C1CC1(C)N;XGCSMLGPAAIKIS-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285837;MM285837;CC1(N)CC1C1(C)CC1N;KYVGVRJPQJNXKI-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285838;MM285838;CC1(N)CC1C1(C)CC1O;TWFAIXHINIUING-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285839;MM285839;CC#CC=NNCCO;LPNPDYXLCGEVJZ-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285840;MM285840;CC1(O)CC1C1(C)CC1N;GDMYSLPWQSEWOG-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285841;MM285841;CC1(O)CC1C1(C)CC1O;CRBTZMWSQNVBDI-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285842;MM285842;CC1CC1(C)C1CC1(C)F;BUGHDHXOUAXDRR-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285843;MM285843;CC1(F)CC1C1(C)CC1N;HOYAXRRDQAAIPS-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285844;MM285844;CC1CC1(C)C1CC1(F)F;DBYBPKHFNRJEOI-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285845;MM285845;CC1CC1(N)C1CC1(C)C;YLRANCYCDHRZCW-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285846;MM285846;CC1(C)CC1C1(N)CC1F;UDZWAAACUPXALQ-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285847;MM285847;CC1CC1(N)C1CC1(C)N;FXXWVVKURGSQHS-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285848;MM285848;CC1(N)CC1C1(N)CC1N;ZTSYNFAFSCYKDK-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285849;MM285849;CC1(N)CC1C1(N)CC1O;ZCRXFCWQQDNNPM-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285850;MM285850;CC1CC1(N)C1CC1(C)O;FVJDZVSIWSYDMS-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285851;MM285851;CC1(O)CC1C1(N)CC1N;JYXFPAWXYRGPAD-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285852;MM285852;CC1CC1(N)C1CC1(C)F;FJMMHDLJBVTXSV-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285853;MM285853;CC1(F)CC1C1(N)CC1O;NUYRIPLXVDNZBI-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285854;MM285854;CC1CC1(N)C1CC1(F)F;BKEWVTJOYOLNHC-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285855;MM285855;NC1CC1(N)C1CC1(F)F;CPIYQYDCDBUANX-UHFFFAOYSA-N;148.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285856;MM285856;CC(C)(C)C=NNCCO;WHMHKTYFZIKILA-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285857;MM285857;CC1(C)CC1C1(O)CC1N;BDGZQWDHCGJPDY-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285858;MM285858;CC1CC1(O)C1CC1(C)N;YGOIORYHAVXAND-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285859;MM285859;CC1(N)CC1C1(O)CC1N;OCRMOQKPMDLTNX-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285860;MM285860;CC1CC1(O)C1CC1(C)O;RMAJXLULOBCANH-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285861;MM285861;CC1(O)CC1C1(O)CC1N;NVSFORMAKIQBAS-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285862;MM285862;CC1CC1(O)C1CC1(C)F;YTBXWEKBWNDBBU-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285863;MM285863;CC1CC1(O)C1CC1(F)F;WONHZPAPSWVOAW-UHFFFAOYSA-N;148.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285864;MM285864;NC1CC1(O)C1CC1(F)F;KNGVIMOQXPDXDC-UHFFFAOYSA-N;149.14;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285865;MM285865;CC1CC1(F)C1CC1(C)C;MSTRHBVNLNGIET-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285866;MM285866;CC1(C)CC1C1(F)CC1N;WSODUWUOROZRJD-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285867;MM285867;CC1(C)CC1C1(F)CC1O;FUEDPILNSWYFMV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285868;MM285868;CC1CC1(F)C1CC1(C)N;JUVCNWINFCGCKC-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285869;MM285869;CC1(N)CC1C1(F)CC1N;BLXQPVPCTPTQMY-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285870;MM285870;CC1(N)CC1C1(F)CC1O;QDGXYMSMEPSOIR-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285871;MM285871;CC1CC1(F)C1CC1(C)O;IIFVAUOZRAJFEV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285872;MM285872;CC1CC1(F)C1CC1(C)F;OOZSVYXQIWYSDA-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285873;MM285873;CC1(F)CC1C1(F)CC1N;DRIJKMOSZJXSTJ-UHFFFAOYSA-N;147.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285874;MM285874;CC1CC1(F)C1CC1(F)F;PHKFJYKNXNUCTB-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285875;MM285875;CC1NC1(C)C1CC1(C)N;SXEFCDAAPQZRFK-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285876;MM285876;CC1OC1(C)C1CC1(C)C;GKQSDXCEFDAGTJ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285877;MM285877;CC1OC1(C)C1CC1(C)N;SPCAEPBKWKYHQA-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285878;MM285878;CC1OC1(C)C1CC1(C)O;MDMMQPYDUXKBFD-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285879;MM285879;CC1OC1(C)C1CC1(C)F;QOPRZRWKALCXCC-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285880;MM285880;CC1OC1(C)C1CC1(F)F;QZCSMMIRXGVRQK-UHFFFAOYSA-N;148.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285881;MM285881;CC1(C)NC1C1(C)CC1N;NFRHQIKXIAHFCP-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285882;MM285882;CC1CC1(N)C1NC1(C)C;UCYCBPCLFQEAOY-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285883;MM285883;CC1(C)NC1C1(N)CC1N;NFSSJHYODQKEBV-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285884;MM285884;CC1(C)NC1C1(N)CC1O;AEXUMNOMZZXVMJ-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285885;MM285885;CC1CC1(F)C1NC1(C)C;DWBXQPXCCHFAOA-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285886;MM285886;CC1CC1(C)C1OC1(C)C;HYRATTXMLZYPMH-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285887;MM285887;CC1(C)OC1C1(C)CC1N;QLXVREDBZGVRCW-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285888;MM285888;CC1(C)OC1C1(C)CC1O;CVVKXCRKVAXFIA-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285889;MM285889;CC1CC1(N)C1OC1(C)C;HKUXIAQLRPWTFV-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285890;MM285890;CC1(C)OC1C1(N)CC1N;GWYRKQRBUBQVIJ-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285891;MM285891;CC1CC1(O)C1OC1(C)C;DBVJRYGKDACBMF-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285892;MM285892;CC1CC1(F)C1OC1(C)C;IBSWDZOZHJTBGF-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285893;MM285893;CC1OC1(C)C1OC1(C)C;FLIKTKITNQARHV-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285894;MM285894;CN1CC1(C)C1CC1(F)F;PHAOXMHECWSZMR-UHFFFAOYSA-N;147.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285895;MM285895;CN1CC1(C)C1OC1(C)C;SOOXPMKLKMGADY-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285896;MM285896;CC1(C)CN1C1(C)CC1N;XKALWZDQDQWYGG-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285897;MM285897;CC1C2C(C)(C)CCC12N;LKDNCVXAPLFLSQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285898;MM285898;CC1C2C(F)(F)CCC12O;CKGZTFIJMUZDMV-UHFFFAOYSA-N;148.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285899;MM285899;CC1(F)CCC2(O)C(N)C12;OCUVLCYMJJKSHG-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285900;MM285900;CC1C2C(C)(C)CCC12F;ZTKURHJVAXAZHJ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285901;MM285901;CC1C2C(C)(O)CCC12F;HTTMYQPIIQMDLD-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285902;MM285902;CC1C2C(F)(F)CCC12F;XODHQKICBIBUEF-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285903;MM285903;CC1(N)CCC2(F)C(N)C12;MSPCCRCXJQEKTQ-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285904;MM285904;CC1C2C(C)(C)NCC12N;PYMDVDHVSMWJLY-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285905;MM285905;CC1(C)NCC2(N)C(N)C12;VVSKHEJVMYWOPH-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285906;MM285906;CC1C2(N)CN(C)C1(C)C2;RXQKJYJTKZTVOG-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285907;MM285907;CCC1(N)CC2(C)CC1C2;COCVELIABMLRKE-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285908;MM285908;CON=C(C)OCC(N)=O;AVVBZZUVBZWQGD-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285909;MM285909;CC1(CN)CC2(N)CC1C2;BZWNRTWUYRHFOW-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285910;MM285910;NCC1(N)CC2(N)CC1C2;XYBLTUWWTVEAJV-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285911;MM285911;CC1(CN)CC2(O)CC1C2;VEZYZIGQRHQGTM-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285912;MM285912;NCC1(N)CC2(O)CC1C2;UVODHGWQBRGWEW-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285913;MM285913;CCC1(N)CC2(F)CC1C2;NBECLJJREQHENV-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285914;MM285914;CCC1(O)CC2(F)CC1C2;MQHPZPDCYKEKOE-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285915;MM285915;NCC1(O)CC2(F)CC1C2;FXXKERGJWMHSDS-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285916;MM285916;CC12CC(C1)C(C)(CO)N2;PJUYVJFTGLQULF-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285917;MM285917;CCC1(C)CC2(C)CC1N2;UBEZARTXCLFDGD-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285918;MM285918;CC12CC(N1)C(C)(CN)C2;DXNQAULJPINZHF-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285919;MM285919;CCC1(N)CC2(C)CC1N2;LSDWDHJPOFNTIB-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285920;MM285920;CC12CC(N1)C(N)(CO)C2;BRUGTEJKKOSDDH-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285921;MM285921;CCC1(O)CC2(C)CC1N2;DBQCXJPOYYBQDT-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285922;MM285922;CCC1(F)CC2(C)CC1N2;NSGWYYFPNJCEFQ-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285923;MM285923;CCC1(C)CC2(C)CC1O2;HLLOZOZYBFVSJV-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285924;MM285924;CC12CC(O1)C(C)(CN)C2;PHRCTBBICXCALC-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285925;MM285925;CC12CC(O1)C(C)(CO)C2;SFRXEUVCDMSMBK-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285926;MM285926;CCC1(N)CC2(C)CC1O2;MFDUHZBCQFPYLN-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285927;MM285927;CC12CC(O1)C(N)(CN)C2;FDNQSFWXWAWNRI-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285928;MM285928;CC12CC(O1)C(N)(CO)C2;UFXACRYPILHINY-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285929;MM285929;CCC1(F)CC2(C)CC1O2;HVELSZZOCSSYCL-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285930;MM285930;CC12CC(O1)C(F)(CN)C2;JUFYOFXUUXYIKK-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285931;MM285931;CC1(CN)CC2(N)CN1C2;NDAADWPKOCBGES-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285932;MM285932;C=CC1(C)CC2(C)CC1C2;FYONZNHCKDUCFT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285933;MM285933;C=CC1(N)CC2(O)CC1C2;JGKABKRVIBPQHI-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285934;MM285934;C=CC1(N)CC2(F)CC1C2;DGLPUMAQQFQBFX-UHFFFAOYSA-N;141.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285935;MM285935;C#CC1(C)CC2(C)CC1C2;KEPWEOZAEKWUAU-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285936;MM285936;C#CC1(C)CC2(N)CC1C2;ACNKQODSXVGTNF-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285937;MM285937;C#CC1(N)CC2(N)CC1C2;WZABCCXOSRTVMB-UHFFFAOYSA-N;136.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285938;MM285938;C#CC1(O)CC2(N)CC1C2;GWWPBYCMBKBLOF-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285939;MM285939;C#CC1(N)CC2(O)CC1C2;GWXCJWROPWQEPJ-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285940;MM285940;C#CC1(O)CC2(O)CC1C2;ZWPQDUVCXBAKNX-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285941;MM285941;C#CC1(C)NC2(C)CC1C2;FJFNPQFCFIUOFM-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285942;MM285942;CC1CC2(C)CC2C1(C)F;XBISNSWHLAKBAX-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285943;MM285943;CC1CC2(N)CC2C1(C)C;BTPRBKCZJORBFX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285944;MM285944;CC1NC2(C)CC2C1(C)C;ABOLODZFQWRPCB-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285945;MM285945;CC1OC2(C)CC2C1(C)C;JNUZROSLNNMTNV-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285946;MM285946;CN1CC2(C)CC2C1(C)C;PHIKXRRZOXZAGZ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285947;MM285947;CC1=CC2(N)CCC1(C)C2;WUOREPQYURHUGJ-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285948;MM285948;CCC1(C)CC2CC2(C)C1;SCECMQIPVIQXLP-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285949;MM285949;CC1(CN)CC2CC2(C)C1;VAEGTSBEVAGVSE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285950;MM285950;CCNC(=O)C=NN(C)C;HNUDGMHXJWHJNJ-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285951;MM285951;CC1(CF)CC2CC2(C)C1;BPODFEZXQFODRT-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285952;MM285952;CCC1(N)CC2CC2(C)C1;ZKVIHYDPUMPNTL-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285953;MM285953;CC12CC1CC(N)(CN)C2;GTEJYFSXIKTPQV-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285954;MM285954;CC12CC1CC(N)(CO)C2;PGRCJANWYOATNZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285955;MM285955;CC12CC1CC(N)(CF)C2;RESVXLLBRNSLEX-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285956;MM285956;CC=CC(CC(C)O)=NN;CRDWMPWKGJRQPY-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285957;MM285957;CC12CC1CC(O)(CO)C2;SCCGWUVUYOGEJE-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285958;MM285958;CCC1(F)CC2CC2(C)C1;KEVJDIRQBQWEKF-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285959;MM285959;CC12CC1CC(F)(CN)C2;GPMKFDCCOUPGIG-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285960;MM285960;CC12CC1CC(F)(CO)C2;JOJOJRCKYBYNCI-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285961;MM285961;CCC1(C)CC2CC2(N)C1;XAWRSWTXXJDXPY-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285962;MM285962;CC1(CN)CC2CC2(N)C1;MMXNOJZNXPWKSV-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285963;MM285963;CCC1(N)CC2CC2(N)C1;DMXKXWHOFSYZIM-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285964;MM285964;NCC1(N)CC2CC2(N)C1;KPWIPYXKSVISKM-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285965;MM285965;NC1(CO)CC2CC2(N)C1;JYMXHGCKHILGFI-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285966;MM285966;CCC1(O)CC2CC2(N)C1;RYWBHVMRTJJLEW-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285967;MM285967;NCC1(O)CC2CC2(N)C1;SKCOKOGZXDZQRY-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285968;MM285968;NC12CC1CC(O)(CO)C2;FHSFGAJEZSOPSR-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285969;MM285969;CCC1(F)CC2CC2(N)C1;CRFNFUFUZNDCRY-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285970;MM285970;NCC1(F)CC2CC2(N)C1;NXPXEOCEGIADOS-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285971;MM285971;NC12CC1CC(F)(CO)C2;PNGAAKDGISWEGW-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285972;MM285972;C=CC(CC(C)O)=NOC;AOTUWEQVUZRBQC-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285973;MM285973;CC1(CN)CC2CC2(O)C1;IWLIIPBYVQHSJR-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285974;MM285974;CC1(CO)CC2CC2(O)C1;CKJYQTUIPXEIFL-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285975;MM285975;CCC1(N)CC2CC2(O)C1;LCFBCJOELPQJNZ-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285976;MM285976;NCC1(N)CC2CC2(O)C1;KEAGPEACHKUEAP-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285977;MM285977;NC1(CO)CC2CC2(O)C1;LPWGCMPPTPUQOW-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285978;MM285978;CCC1(O)CC2CC2(O)C1;RJRFVJOEWQDCDY-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285979;MM285979;NCC1(O)CC2CC2(O)C1;BWTQVPHTPVTBOF-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285980;MM285980;OCC1(O)CC2CC2(O)C1;MDUDCKAVCSNUEJ-UHFFFAOYSA-N;144.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285981;MM285981;CCC1(F)CC2CC2(O)C1;VAEVJGNUHWTMQQ-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285982;MM285982;NCC1(F)CC2CC2(O)C1;KEIVRKIUHAIMBJ-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285983;MM285983;CCC1(C)CC2CC2(F)C1;UGUYSKAZKMRAMN-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285984;MM285984;CC1(CN)CC2CC2(F)C1;LELDLYLKBVOHEP-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285985;MM285985;CC1(CO)CC2CC2(F)C1;YCLQUIYBVMKPLL-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285986;MM285986;CCC1(N)CC2CC2(F)C1;PUFXECNSJQEIRR-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285987;MM285987;NCC1(N)CC2CC2(F)C1;PZWPZKKKOBOQES-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285988;MM285988;NC1(CO)CC2CC2(F)C1;GSMXCOIBJCGHKJ-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285989;MM285989;CCC1(O)CC2CC2(F)C1;ACZIAPNADWVJOS-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285990;MM285990;NCC1(O)CC2CC2(F)C1;PUJLKJFXPOJNBG-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285991;MM285991;CCC1(F)CC2CC2(F)C1;OEEGMJVDAICAQX-UHFFFAOYSA-N;146.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285992;MM285992;CNC1(C)CC2CC2(C)C1;WAQYYWRNUQXGND-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285993;MM285993;CNC1(C)CC2CC2(N)C1;OOWWDHKPODNERZ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285994;MM285994;CNC1(C)CC2CC2(O)C1;XLIXPCVCKWTNOZ-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285995;MM285995;CNC1(C)CC2CC2(F)C1;QKKPCAJGAJJHGF-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285996;MM285996;CCC1(C)CC2(C)CC2N1;MWJABYQLIXOZIY-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285997;MM285997;CC1(CN)CC2(C)CC2N1;NNVAESHIOARQPT-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285998;MM285998;CCC1(C)CC2(N)CC2N1;CKQHAAFYNWKAQX-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM285999;MM285999;CC1(CN)CC2(N)CC2N1;WSEGCKBZMSNRCW-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286000;MM286000;CCC1(C)CC2(O)CC2N1;WPMXVDSROOAEQK-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286001;MM286001;CCC1(C)CC2(F)CC2N1;XCENTKCSSNJBEQ-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286002;MM286002;CC1(CN)CC2(F)CC2N1;RGXWBPPYGOABML-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286003;MM286003;CCC1(C)CC2(O)CC2O1;MWEBTKIALNOZDA-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286004;MM286004;CC1(CN)CC2(F)CC2O1;FJXTYIFTFIMKDZ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286005;MM286005;CCC1(C)CC2CC2(C)N1;HBLGOUWJZHCNHT-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286006;MM286006;CC1(CN)CC2CC2(C)N1;SJWKAQOYCYMQME-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286007;MM286007;CC1(CO)CC2CC2(C)N1;DGILZDVLQCMJFG-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286008;MM286008;CCC1(C)CC2CC2(C)O1;FGHFKNVLVBXGNO-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286009;MM286009;CC1(CN)CC2CC2(C)O1;XFEVBWHWGWXOIR-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286010;MM286010;COC1(C)CC2CC2(C)O1;WTTTXTGWRNUYCM-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286011;MM286011;CC1(CN)CC2NC2(C)C1;RUMWOSVMHFGGBE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286012;MM286012;CCC1(N)CC2NC2(C)C1;VPTXLNJASKKIIO-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286013;MM286013;CC12CC(N)(CN)CC1N2;BZMLYUHHCCOGFD-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286014;MM286014;CC12CC(N)(CO)CC1N2;UYKPFTPXTWWTEB-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286015;MM286015;CC12CC(F)(CN)CC1N2;SAYCRECJTNOMCV-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286016;MM286016;CNC1(C)CC2NC2(C)C1;SKCVWEVMWUZDBC-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286017;MM286017;CCC1(C)CC2OC2(C)C1;LPIKTTSLZDLMOV-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286018;MM286018;CC1(CN)CC2OC2(C)C1;MJLGYTCGUFQVQY-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286019;MM286019;CC1(CO)CC2OC2(C)C1;RLYTZPAYXWIOOU-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286020;MM286020;CCC1(N)CC2OC2(C)C1;KFPOMLVMTGRBOQ-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286021;MM286021;CCC1(O)CC2OC2(C)C1;MODZRDSKEOAEPB-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286022;MM286022;CC12CC(O)(CN)CC1O2;GVPHLHBRWBQINN-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286023;MM286023;CC12CC(O)(CO)CC1O2;NLVBNCKFAKVMMX-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286024;MM286024;CCC1(F)CC2OC2(C)C1;XIAFRAQSLROLLC-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286025;MM286025;CC12CC(F)(CO)CC1O2;ABGMNQVFPYRWJW-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286026;MM286026;COC1(C)CC2OC2(C)C1;NQRMHDKMBZJVEK-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286027;MM286027;CC1(CN)CN2CC2(C)C1;LEGWAVMKWRKIKP-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286028;MM286028;CC1(CF)CN2CC2(C)C1;NNDJGJKPFMFJFJ-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286029;MM286029;CCC1(N)CN2CC2(C)C1;KTGFKTVTWVOIOL-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286030;MM286030;CC12CN1CC(N)(CN)C2;VHGBSQDDTIOAJV-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286031;MM286031;CC12CN1CC(N)(CO)C2;DSAKYQWMQJLIHP-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286032;MM286032;CC12CN1CC(N)(CF)C2;JQLBXPQOGYGBLT-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286033;MM286033;C=C(C)C(CC(C)O)=NN;KHEALZUMHDAGKF-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286034;MM286034;CC12CN1CC(F)(CN)C2;RBGQTJOKIKCDQF-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286035;MM286035;CC(C)CC=NNCCO;CLUOQGBYQPSROJ-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286036;MM286036;CNC1(C)CN2CC2(C)C1;AAYISEOAIYLPRH-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286037;MM286037;COC1(C)CN2CC2(C)C1;MXTJLOMHNBNKLT-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286038;MM286038;CC1C(C2(C)CC2)C1(C)C;DLGCOYIPRSJGIY-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286039;MM286039;CC1(C2C(N)C2(C)C)CC1;GVZVUTARTBOXTJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286040;MM286040;C=C(C)CC=NNCCO;ZODGJUCYESOHFQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286041;MM286041;CC1C(C2(C)CC2)C1(C)N;GPADGVOQZPYVNT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286042;MM286042;CC1(C2C(N)C2(C)N)CC1;PTDXOTJOADNIJU-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286043;MM286043;CC1C(C2(N)CC2)C1(C)C;BNYNKEHRMVMXBT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286044;MM286044;CC1(C)C(N)C1C1(N)CC1;FMTRFDXLYWPLPK-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286045;MM286045;CC1(C)C(O)C1C1(N)CC1;QNHQHYTUWZZERL-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286046;MM286046;CC1C(C2(N)CC2)C1(C)N;CWFSCJXPFHSTRM-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286047;MM286047;CC1C(C2(N)CC2)C1(C)O;MEICLTJUABZXOY-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286048;MM286048;CC1C(C2(N)CC2)C1(C)F;LLZOLVJSIVUFNH-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286049;MM286049;N#CCOCC=CC(N)=O;GXPGCHSWCLXJFV-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286050;MM286050;CC1(C)C(N)C1C1(O)CC1;QWCCSADSDZCUMI-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286051;MM286051;CC1C(C2(O)CC2)C1(C)N;XJZYYSGANNBAGD-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286052;MM286052;CC1C(C2(O)CC2)C1(C)O;QHDXWQSWEFWDTM-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286053;MM286053;CC1C(C2(O)CC2)C1(C)F;KIWIGVLJUMKIET-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286054;MM286054;CC1C(C2(F)CC2)C1(C)C;LRTDQCPLGQLBAG-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286055;MM286055;CC1C(C2(F)CC2)C1(C)O;AXNLXEUYMVWTFM-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286056;MM286056;CC1C(C2(F)CC2)C1(C)F;BSEKNUPMPRXCHO-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286057;MM286057;CC1C(C2(C)CN2)C1(C)N;CGVKVXKVRFZDNF-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286058;MM286058;CC1C(C2(C)CO2)C1(C)C;RYNWHMHSWLLOCR-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286059;MM286059;CC1(C2C(O)C2(C)C)CO1;OQDLNZROPXBWCL-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286060;MM286060;CC1(C2C(N)C2(C)N)CO1;GMXFVAKWUKQLNA-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286061;MM286061;CC1C(C2(C)CO2)C1(C)O;DQDXMHWJYCGVNR-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286062;MM286062;CC1C(C2(C)CO2)C1(C)F;FYELUJOAAWDMMD-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286063;MM286063;CC1(CC2CC2(C)C)CC1;YXJIZMDNTOKDOH-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286064;MM286064;CC1(C)CC1CC1(N)CC1;LZKPRBFVVLNPOQ-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286065;MM286065;CN(C)N=COC=CCO;KUJLKSFAIUHQIF-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286066;MM286066;CC1(C)CC1CC1(F)CC1;GWQMDRCPAWODFL-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286067;MM286067;CC1(CC2CC2(C)N)CC1;AHOGOGUHDXQAGJ-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286068;MM286068;CC1(N)CC1CC1(O)CC1;KMIZUAGMEIXFJJ-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286069;MM286069;CC1(N)CC1CC1(F)CC1;QXMYFSSNPOUTRL-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286070;MM286070;CC(C)=CC=NNCCO;JPPZXFIXUNAPPV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286071;MM286071;CC1(O)CC1CC1(N)CC1;CLAHRPVBPRQMDZ-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286072;MM286072;CC1(CC2CC2(C)F)CC1;ULBFEPWWZRDESK-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286073;MM286073;CC1(F)CC1CC1(N)CC1;KFVAVWHDGFZJAZ-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286074;MM286074;CC1(F)CC1CC1(O)CC1;UQAYVMBAAUXFLG-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286075;MM286075;CC1(NC2CC2(C)C)CC1;OBWZJADEMRCGKA-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286076;MM286076;CC1(NC2CC2(C)N)CC1;GRDZOFMXDCWSRT-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286077;MM286077;CC1(NC2CC2(C)O)CC1;LEKMELIADKYPLW-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286078;MM286078;CC1(OC2CC2(C)C)CC1;CIEJSXJFXFVMHX-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286079;MM286079;CC1(CC2CC2(C)N)CN1;DELQMPSIGDZSLR-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286080;MM286080;CC1(CC2CC2(C)C)CO1;ANGVHCRJMDLBLZ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286081;MM286081;CC1(CC2CC2(C)N)CO1;UFSMDVWJMHSMTD-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286082;MM286082;CC1(CC2CC2(C)O)CO1;GBZBHEOJTDKMFC-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286083;MM286083;CC1(CC2CC2(C)F)CO1;KGQYDNGOQDKRDT-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286084;MM286084;CC1(C)NC1CC1(N)CC1;XSZFDCPPOUSEMV-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286085;MM286085;CC1(CC2OC2(C)C)CC1;NXVOFWOEMBTSQS-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286086;MM286086;CC1(C)OC1CC1(N)CC1;IHJXBPFANWJSMF-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286087;MM286087;CC1(C)OC1CC1(O)CC1;ZBNJTTKPDYWAJU-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286088;MM286088;CC1(C)OC1CC1(F)CC1;YAATVLIBQNJDRZ-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286089;MM286089;CC1(CC2OC2(C)C)CO1;HGJIUKFYERGACT-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286090;MM286090;CC1(C)CN1CC1(N)CC1;XMAUBRATCUGQTG-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286091;MM286091;CC1(C)CN1CC1(F)CC1;IGVYWAWYVIVROF-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286092;MM286092;CC1CC1(C)CC1(C)CC1;WVBCYLANVRXECR-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286093;MM286093;CC1(CC2(C)CC2N)CC1;VDJXVVBGTRSQDO-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286094;MM286094;CC(F)=CC=NNCCO;TWHGEKANFPPEEB-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286095;MM286095;CC1(CC2(C)CC2F)CC1;DMUKWDSCAWOGDZ-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286096;MM286096;CC1CC1(C)CC1(N)CC1;RGOVVFMSMJDYGW-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286097;MM286097;CC1(CC2(N)CC2)CC1O;SRCGXIPSPSYNIU-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286098;MM286098;C=C(C=NN)OC=CCO;FBZYZBJNVZTBIZ-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286099;MM286099;CC1(CC2(O)CC2)CC1N;MXARMUCQRDWUKD-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286100;MM286100;CC1(CC2(O)CC2)CC1O;QDTATDQMKYFHNY-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286101;MM286101;CC1CC1(C)CC1(F)CC1;QJPNAJAYDOZGFS-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286102;MM286102;CC1(CC2(F)CC2)CC1N;OZXDCFOEYAFPRR-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286103;MM286103;CC1(CC2(F)CC2)CC1O;VXYTWILJTUYCCU-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286104;MM286104;CC1CC1(N)CC1(C)CC1;YKOTXMYUUWFFNB-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286105;MM286105;CC1CC1(N)CC1(N)CC1;ISFPPAXJZWXBTF-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286106;MM286106;NC1CC1(N)CC1(N)CC1;PWTNBAPITCZQIE-UHFFFAOYSA-N;141.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286107;MM286107;NC1(CC2(N)CC2O)CC1;WNVKNOOFRHWPPL-UHFFFAOYSA-N;142.2;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286108;MM286108;CC1CC1(N)CC1(O)CC1;NZEFOZXTINOXJA-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286109;MM286109;NC1(CC2(O)CC2)CC1O;NVUPMPKVGYIEAJ-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286110;MM286110;NC1(CC2(O)CC2)CC1F;QPYIEWUQKRVKNQ-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286111;MM286111;CC1CC1(N)CC1(F)CC1;XHDNYMPWHKYSCI-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286112;MM286112;NC1(CC2(F)CC2)CC1O;GYPGWEYPNZKDDP-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286113;MM286113;CNN=C(C)OC=CCO;AUIFOTGBWGDLNN-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286114;MM286114;CC1(CC2(O)CC2N)CC1;KOHBTNVMUNXOHN-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286115;MM286115;CC1CC1(O)CC1(O)CC1;CPFPJQBJGAQDNG-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286116;MM286116;OC1CC1(O)CC1(O)CC1;NQFBRXMIYAUVEH-UHFFFAOYSA-N;144.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286117;MM286117;CC1CC1(O)CC1(F)CC1;XHALTXWUCIHQSH-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286118;MM286118;OC1CC1(O)CC1(F)CC1;PUAYLHMYRBVCOC-UHFFFAOYSA-N;146.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286119;MM286119;CC1CC1(F)CC1(C)CC1;NVBHAGNJPMXSCA-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286120;MM286120;CC1(CC2(F)CC2N)CC1;IHUNVIWAHSLZKH-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286121;MM286121;CC1CC1(F)CC1(N)CC1;FQHNPFSBZGYIRG-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286122;MM286122;CC1CC1(F)CC1(O)CC1;JZDLQHVNHIXPQU-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286123;MM286123;CC1CC1(F)CC1(F)CC1;DTGJIJGNASXWBX-UHFFFAOYSA-N;146.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286124;MM286124;CC1CC1(C)NC1(C)CC1;AWJDABXQKCTLOX-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286125;MM286125;CC1CC1(C)OC1(C)CC1;QYFINKOKVPSWGJ-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286126;MM286126;CC1(OC2(C)CC2N)CC1;OKVJJDPQGUNJNM-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286127;MM286127;CC1(OC2(C)CC2O)CC1;MKSWLDRLULLDRF-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286128;MM286128;CC1CC1(N)CC1(C)CN1;YDFKRHVEHCOPSY-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286129;MM286129;CC1(CC2(N)CC2N)CN1;OFBKSIGGHVFBHV-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286130;MM286130;CC1(CC2(N)CC2O)CN1;OCQHSZHZXPCHMY-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286131;MM286131;CC1(CC2(O)CC2N)CN1;NTXJJNKUBRZIPP-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286132;MM286132;CC1(CC2(F)CC2N)CN1;AVLLTKNRDXYJDT-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286133;MM286133;CC1CC1(C)CC1(C)CO1;SMLMKOGVPRCQMF-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286134;MM286134;CC1(CC2(C)CC2N)CO1;PATGVULNLVPAQU-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286135;MM286135;CC1(CC2(C)CC2O)CO1;WTMOTWFLTLWSQU-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286136;MM286136;CC1CC1(N)CC1(C)CO1;FSWFIZYKISMINX-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286137;MM286137;CC1(CC2(N)CC2N)CO1;RSTQFPVKLIVYNL-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286138;MM286138;CC1CC1(O)CC1(C)CO1;HNMPHOCLHBXWAN-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286139;MM286139;CC1(CC2(O)CC2N)CO1;PZJMIXZHJXABJQ-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286140;MM286140;CC1CC1(F)CC1(C)CO1;JOBWFJSHODYCGG-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286141;MM286141;CC1NC1(C)CC1(N)CC1;WSLIXYOJDBWQJH-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286142;MM286142;CC1OC1(C)CC1(C)CC1;ANKNZFZIUDIUBZ-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286143;MM286143;CC1OC1(C)CC1(N)CC1;JIXIQKUFTJQRFN-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286144;MM286144;CC1OC1(C)CC1(O)CC1;IUBUYQVLJVQDPC-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286145;MM286145;CC1OC1(C)CC1(F)CC1;WTOXNPWJBHPLAB-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286146;MM286146;CC1OC1(C)CC1(C)CO1;IPCSPIPQIXRZDY-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286147;MM286147;CN1CC1(C)CC1(N)CC1;AKIDXABOQLQGJV-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286148;MM286148;CCC12CC(C1)C(C)(C)C2;ZTTYFGHFLCDBLK-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286149;MM286149;CC1(C)CC2(CN)CC1C2;NHDBSOWEXLLXQR-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286150;MM286150;CC1(C)CC2(CF)CC1C2;PMKZVCHQOMIQDD-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286151;MM286151;CCC12CC(C1)C(C)(N)C2;FOSRGGLMPOLBGH-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286152;MM286152;CC1(N)CC2(CN)CC1C2;LUWCVLKQDFQYSN-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286153;MM286153;CC1(N)CC2(CO)CC1C2;WQLSKNOBRJSWIC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286154;MM286154;CC1(N)CC2(CF)CC1C2;BEKNNBVBGKQTTN-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286155;MM286155;CCCC(C)=NNCCO;XSAJVLUMCRFUDY-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286156;MM286156;CC1(O)CC2(CN)CC1C2;ZZRRWOKPKFPPFT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286157;MM286157;CC1(O)CC2(CO)CC1C2;UVUXUSQCBRXHGO-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286158;MM286158;CCC12CC(C1)C(C)(F)C2;AYXMEQGZECYEMA-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286159;MM286159;CC1(F)CC2(CN)CC1C2;STWIQDHWVNGNCB-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286160;MM286160;CC1(F)CC2(CO)CC1C2;NMLKQAXECOHKMR-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286161;MM286161;CC1(F)CC2(CF)CC1C2;AGRMEPFMXPEEAG-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286162;MM286162;CNC12CC(C1)C(C)(C)C2;RRCWHHBDANYGAQ-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286163;MM286163;CNC12CC(C1)C(C)(N)C2;LYMGRKJVRFUVOI-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286164;MM286164;CNC12CC(C1)C(C)(O)C2;ZMMMEVIPZZVTMN-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286165;MM286165;CNC12CC(C1)C(C)(F)C2;XASMGAXOHZAZRM-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286166;MM286166;COC12CC(C1)C(C)(C)C2;LDUVHSAVHKNKJJ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286167;MM286167;COC12CC(C1)C(C)(N)C2;RBRFQCSXCOARGQ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286168;MM286168;COC12CC(C1)C(C)(O)C2;ZDCJCVSQQSJQMY-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286169;MM286169;COC12CC(C1)C(C)(F)C2;ZLZDQMPNJGAXCT-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286170;MM286170;CCC12CC(C1)C(C)(C)N2;PSIJZIGRDSVCKN-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286171;MM286171;CCC12CC(C1)C(C)(C)O2;ARSLIYUWKKUCLC-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286172;MM286172;CC1(C)OC2(CN)CC1C2;MXKPKMTUXCUVOD-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286173;MM286173;CC1(C)OC2(CO)CC1C2;ITFAWQQFOIRTQT-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286174;MM286174;COC12CC(C1)C(C)(C)O2;XXXZOQUASINWMR-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286175;MM286175;CCC12CC(N1)C(C)(C)C2;FONBKZYYFBAGIR-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286176;MM286176;CC1(C)CC2(CN)CC1N2;UXSLFFOBEPJNIR-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286177;MM286177;CC1(C)CC2(CO)CC1N2;LJHVHVVBKOEIDM-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286178;MM286178;CCC12CC(N1)C(C)(N)C2;YHVXNLQXKAZGBL-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286179;MM286179;CC1(N)CC2(CN)CC1N2;HNJLVPYJVGXKRG-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286180;MM286180;CC1(N)CC2(CO)CC1N2;WNWPLXCFODDQTG-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286181;MM286181;CCC12CC(N1)C(C)(O)C2;XCAYLAJSFLPERE-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286182;MM286182;CC1(O)CC2(CN)CC1N2;TVYADPHYAVNHPP-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286183;MM286183;CC1(O)CC2(CO)CC1N2;NZJDEDPOWFDLLO-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286184;MM286184;CCC12CC(N1)C(C)(F)C2;FBMKZBGNFUFNKZ-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286185;MM286185;CC1(F)CC2(CN)CC1N2;KHRIQQTYIJRZQW-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286186;MM286186;CCC12CC(O1)C(C)(C)C2;RZZOWXDUTKMZTE-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286187;MM286187;CCC12CC(O1)C(C)(O)C2;PWJSJXNPMIABGB-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286188;MM286188;CCC12CC(O1)C(C)(F)C2;NYSOFMKONHKKNQ-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286189;MM286189;CCC12CN(C1)C(C)(C)C2;MTNNRDOPNGTXIN-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286190;MM286190;CC1(C)CC2(CN)CN1C2;QZXPWZIEZUBGQC-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286191;MM286191;CNC12CN(C1)C(C)(C)C2;AQSHNTJRUZCXFV-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286192;MM286192;C=CC12CC(C1)C(C)(C)C2;WARLADUELMURGY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286193;MM286193;CC1(C)CC2(C=O)CC1C2;OUAGCRZCKXGBRU-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286194;MM286194;CC1(C)CC2(C#N)CC1C2;AFDNRBMPPWTGJB-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286195;MM286195;C=CC12CC(C1)C(C)(N)C2;GUQFBVNJDNPHMO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286196;MM286196;COCC(C)=NNCCO;CNYAIXOGKHXKIX-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286197;MM286197;CC1(O)CC2(C=O)CC1C2;FBPGWRLZWHKKCV-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286198;MM286198;C=CC12CC(C1)C(C)(C)N2;BZQMZOMOONECMK-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286199;MM286199;C=CC12CC(C1)C(C)(C)O2;IPQFMNHDANWYPI-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286200;MM286200;CC1(C)OC2(C=O)CC1C2;SIPIAQCJRRKTGC-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286201;MM286201;C=CC12CC(N1)C(C)(C)C2;DVFCMSQODDPJAL-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286202;MM286202;CC1(C)CC2(C=O)CC1N2;NVDJXBLWRXRYDW-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286203;MM286203;CC1(C)CC2(C#N)CC1N2;AHQIWKLKWPOWJR-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286204;MM286204;C=CC12CC(N1)C(C)(N)C2;ZZBPIVPVKUIXAM-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286205;MM286205;C=CC12CC(N1)C(C)(O)C2;UNXFOMNRKPQLOK-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286206;MM286206;NC(=O)N(N)CCCCO;YFBKTBRENPTUFO-UHFFFAOYSA-N;147.18;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286207;MM286207;CC1(F)CC2(C#N)CC1N2;AKKPQJDONTXWEF-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286208;MM286208;C=CC12CC(O1)C(C)(C)C2;MRUMWTMKULWEEH-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286209;MM286209;CC1(C)CC2(C=O)CC1O2;TWNNNOPKWLGCMV-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286210;MM286210;CC1(C)CC2(C#N)CC1O2;FBIIPZGFFWABHY-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286211;MM286211;C=CC12CC(O1)C(C)(N)C2;NJVRGWFSRXLGTE-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286212;MM286212;C=CC12CC(O1)C(C)(O)C2;HGDGPBNKIXSQOB-UHFFFAOYSA-N;140.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286213;MM286213;CC1(O)CC2(C#N)CC1O2;DVJSRIUGEJGIKK-UHFFFAOYSA-N;139.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286214;MM286214;C=CC12CN(C1)C(C)(C)C2;TZBQSRZJFVCKNL-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286215;MM286215;CC1(C)CC2(C#N)CN1C2;TYSKOHFBPABCGT-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286216;MM286216;C#CC12CC(C1)C(C)(C)C2;RZOCYVOWPSRNLC-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286217;MM286217;C#CC12CC(C1)C(C)(N)C2;QJTFWYJCWLSJMP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286218;MM286218;C#CC12CC(C1)C(F)(F)C2;HEJHMNRAWGYCID-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286219;MM286219;C#CC12CC(N1)C(C)(C)C2;DMGJZHCABXQCIQ-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286220;MM286220;C#CC12CC(N1)C(C)(N)C2;DOFBJGSKDBXVTG-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286221;MM286221;C#CC12CC(N1)C(C)(O)C2;FNDPBJBVOOZEAE-UHFFFAOYSA-N;137.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286222;MM286222;C#CC12CC(O1)C(C)(C)C2;OFJJUEIQZZXTKY-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286223;MM286223;C#CC12CC(O1)C(C)(N)C2;WGQJVMGEGHGJQU-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286224;MM286224;C#CC12CC(O1)C(C)(O)C2;HDHOLTRLVGDTDC-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286225;MM286225;C#CC12CC(O1)C(C)(F)C2;LYEAZAPIVAVINH-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286226;MM286226;CCC12CC(C)C(C)(C1)C2;JIUFFTZVUJRDTH-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286227;MM286227;N=C(N)C(=O)OC=CCO;GDZUUUVKRSBYKD-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286228;MM286228;CC1CC2(CF)CC1(C)C2;RRRRGJVGXTYSBZ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286229;MM286229;CCC12CC(N)C(C)(C1)C2;XPBOZZIIZQRCAU-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286230;MM286230;CC12CC(CN)(CC1N)C2;RDOUURUFSIPXTL-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286231;MM286231;CCC12CC(C)C(N)(C1)C2;BATBTWVYZWNNIH-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286232;MM286232;CC1CC2(CN)CC1(N)C2;UOROLSIKCWOIIM-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286233;MM286233;CC1CC2(CO)CC1(N)C2;BWJNBIVBDJFUQY-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286234;MM286234;CC1CC2(CF)CC1(N)C2;VLHLWVHQFBBOCP-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286235;MM286235;CCC12CC(N)C(N)(C1)C2;XPYKDLSGJZBEDA-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286236;MM286236;NCC12CC(N)C(N)(C1)C2;FPEHKJOTWQLPPB-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286237;MM286237;NC1CC2(CO)CC1(N)C2;XHISYGOZXIQMQI-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286238;MM286238;CC(=NNCCO)C(C)C;ZWLVRZZMZOEZSI-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286239;MM286239;CC1CC2(CN)CC1(O)C2;RGMFDQGAHOTBEI-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286240;MM286240;CC1CC2(CO)CC1(O)C2;DFTFALHDSLZZEW-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286241;MM286241;CCC12CC(N)C(O)(C1)C2;ILUWVALCKMXOPH-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286242;MM286242;CCC12CC(C)C(F)(C1)C2;AZSPBPZIXQCFBJ-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286243;MM286243;CC1CC2(CN)CC1(F)C2;VWEUWWNEJWOFOT-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286244;MM286244;CC1CC2(CO)CC1(F)C2;HHTXZKRQMPVEGT-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286245;MM286245;CNC12CC(C)C(C)(C1)C2;UUEQCDNZPJSAKO-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286246;MM286246;CNC12CC(N)C(C)(C1)C2;OQWPRRMKNXMCKE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286247;MM286247;CNC12CC(C)C(N)(C1)C2;AXRPFLGWSDKHDN-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286248;MM286248;CNC12CC(N)C(N)(C1)C2;UPPOKDKRDMSLLM-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286249;MM286249;CNC12CC(C)C(O)(C1)C2;VWARLGIUNPHFCD-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286250;MM286250;CNC12CC(C)C(F)(C1)C2;YSTROTOSGUMNAI-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286251;MM286251;COC12CC(C)C(C)(C1)C2;HNSJXXWZPYJDDY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286252;MM286252;COC12CC(N)C(C)(C1)C2;TZWHGYLAZLSEMT-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286253;MM286253;COC12CC(C)C(N)(C1)C2;WRSBYULSWYLJGJ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286254;MM286254;COC12CC(C)C(O)(C1)C2;HEJXMQBGBDDVND-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286255;MM286255;COC12CC(C)C(F)(C1)C2;BLHQVLWMZPIOTI-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286256;MM286256;CCC12CC(C)(C1)C(C)N2;SUIRUCIXTUNNLY-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286257;MM286257;CC1NC2(CN)CC1(C)C2;OBMIREOKPVELBV-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC1";;;;;;;1.8;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286258;MM286258;CC1NC2(CO)CC1(C)C2;WVAOGIHFWPRRAT-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286259;MM286259;CCC12CC(N)(C1)C(C)N2;LRGAZNFPKBTINL-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286260;MM286260;CC1NC2(CN)CC1(N)C2;DFWSJZLCOUFHMQ-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286261;MM286261;CC1NC2(CO)CC1(N)C2;OBZXWIXPEVVYDR-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286262;MM286262;CCC12CC(O)(C1)C(C)N2;QBMVKDHCYXSACN-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286263;MM286263;CC1NC2(CN)CC1(O)C2;CSAUNGIQJGNYKF-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286264;MM286264;CC1NC2(CO)CC1(O)C2;AUDOKEHIKUBOSS-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286265;MM286265;CCC12CC(F)(C1)C(C)N2;FHEVBGIDCSGVHY-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286266;MM286266;CC1NC2(CN)CC1(F)C2;JDMZQHXVBCDNON-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286267;MM286267;CC1NC2(CO)CC1(F)C2;MVJIQYIJDVHYJB-UHFFFAOYSA-N;145.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286268;MM286268;CCC12CC(C)(C1)C(C)O2;PZLTUODWDRKUFQ-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286269;MM286269;CCC12CC(O)(C1)C(C)O2;FIYPABPBZJYAGY-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286270;MM286270;CCC12CC(C)C(C)(C1)N2;CDQDKVJGASHWMJ-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286271;MM286271;CC1CC2(CN)CC1(C)N2;PCYFDOUMNFXKNO-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286272;MM286272;CC1CC2(CO)CC1(C)N2;RUAUUCQPZVJHPZ-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286273;MM286273;CC1CC2(CF)CC1(C)N2;LUPQLWFVNINSID-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286274;MM286274;CCC12CC(N)C(C)(C1)N2;WEHPDNAGPKHDEF-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286275;MM286275;CC12CC(CN)(CC1N)N2;HPEUJCCAUJDZNI-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286276;MM286276;CC12CC(CO)(CC1N)N2;QJFQROYTWAUMPV-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286277;MM286277;CCC12CC(C)C(C)(C1)O2;LGUJFFCOLAQRDD-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286278;MM286278;CC1CC2(CN)CC1(C)O2;XTWCMLWPCDBBRE-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286279;MM286279;CC1CC2(CO)CC1(C)O2;LXUKMOYQRCYZBA-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286280;MM286280;CC12CC(CN)(CC1N)O2;QHYWYOPJVNMBDW-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286281;MM286281;CC12CC(CO)(CC1N)O2;PKCFDKPFVAAJDM-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286282;MM286282;CCC12CN(C)C(C)(C1)C2;HZRWCZHPPMHHTA-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286283;MM286283;CN1CC2(CN)CC1(C)C2;SMQCMLWURBBVQJ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286284;MM286284;CN1CC2(CF)CC1(C)C2;KLQZMINZFLHEJY-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286285;MM286285;CNC12CN(C)C(C)(C1)C2;RDFZKPYTEIHVMT-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286286;MM286286;COC12CN(C)C(C)(C1)C2;MPMGIHBBCOKPMD-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286287;MM286287;C=CC12CC(C)C(C)(C1)C2;ZNTUKRBYEDXOIL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286288;MM286288;C=CC12CC(N)C(C)(C1)C2;OZUOWSGBDPZGCX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286289;MM286289;C=CC12CC(C)C(N)(C1)C2;WGLSPFWUZAOZOV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286290;MM286290;C=CC12CC(N)C(N)(C1)C2;PGIMSRIOPIEWDJ-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286291;MM286291;CC1CC2(C=O)CC1(F)C2;XRPNJWVXVFEWBL-UHFFFAOYSA-N;142.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286292;MM286292;CC1NC2(C=O)CC1(C)C2;HJRLAGDTYSYYDG-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC1";;;;;;;2.08;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286293;MM286293;C=CC12CC(O)(C1)C(C)N2;VZMGFUPHENHZKX-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286294;MM286294;CC(=O)N(C)N(C)CCO;QCLFRLCMNLDRQK-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286295;MM286295;C=CC12CC(F)(C1)C(C)N2;KEFWJNCDZCQOAD-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286296;MM286296;C=CC12CC(C)(C1)C(C)O2;SBSSZALLKKONJQ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286297;MM286297;CC1OC2(C=O)CC1(C)C2;KERSHVWHASCCPS-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286298;MM286298;C=CC12CC(N)(C1)C(C)O2;IIBZESUIXZLZOT-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286299;MM286299;C=CC12CC(O)(C1)C(C)O2;ZBGBZXCLWMEKGW-UHFFFAOYSA-N;140.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286300;MM286300;C=CC12CC(C)C(C)(C1)N2;KTTROPVQFVOHSJ-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286301;MM286301;CC1CC2(C=O)CC1(C)N2;IMDLUFCATOCBRY-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286302;MM286302;CC1CC2(C#N)CC1(C)N2;FQNJWUIBZHXDSB-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286303;MM286303;C=CC12CC(N)C(C)(C1)N2;CFGADNFCZFLEFN-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286304;MM286304;C=CC12CC(C)C(C)(C1)O2;DAJQOEOUBMBLJZ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286305;MM286305;CC1CC2(C=O)CC1(C)O2;DERWJMVVWRDWAH-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286306;MM286306;CC1CC2(C#N)CC1(C)O2;JUFOJUXXNQXACA-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286307;MM286307;C=CC12CC(N)C(C)(C1)O2;XMJYMEUDYPKQGQ-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286308;MM286308;C=CC12CN(C)C(C)(C1)C2;GUONPPUNZGMWMP-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286309;MM286309;CN1CC2(C=O)CC1(C)C2;FKKOPOFPEDEDNS-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286310;MM286310;C#CC12CC(N)C(O)(C1)C2;HMOGZVPWBQMSTA-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286311;MM286311;C#CC12CC(C)(C1)C(C)N2;AKLBGTGJPJDGNQ-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286312;MM286312;C#CC12CC(O)(C1)C(C)O2;KDMMHULADXWHIA-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286313;MM286313;C#CC12CC(N)C(C)(C1)N2;HTZALWXTVIPWJZ-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286314;MM286314;C#CC12CC(C)C(C)(C1)O2;BDOMVBNWDYPHOS-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286315;MM286315;C#CC12CC(N)C(C)(C1)O2;STSUDAYHYLYIGE-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286316;MM286316;C=C1CC2(CC)CC1(C)C2;GUGGHEDSGWXBNG-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286317;MM286317;C=C1CC2(CN)CC1(C)C2;YTVPKGRUNIFYMI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286318;MM286318;C=NOC1CN(C(N)=O)C1;MLDADFGTPVGJKE-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286319;MM286319;C=C1CC2(CF)CC1(C)C2;PNUPQYUNRQYZFO-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286320;MM286320;CCC12CC(=O)C(C)(C1)C2;SQVABGCITYTRHQ-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286321;MM286321;CC12CC(CO)(CC1=O)C2;IVEXGOZADLADLA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286322;MM286322;CC12CC(CF)(CC1=O)C2;MTSUUCDRHHBTNF-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286323;MM286323;C=C1CC2(CC)CC1(N)C2;PLCSBBAYLCCZJJ-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286324;MM286324;C=C1CC2(CN)CC1(N)C2;QWHZRAHHGBBHCL-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286325;MM286325;C=C1CC2(CO)CC1(N)C2;CXRQXOCKFQBBNF-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286326;MM286326;C=CC(C#CC(F)F)=NN;CZMNBRVMVKMDEW-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286327;MM286327;C=C1CC2(CN)CC1(O)C2;LYPWCMYKIIECHI-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286328;MM286328;C=C1CC2(CO)CC1(O)C2;ZTYBHKJDUFFBTL-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286329;MM286329;C=C1CC2(CF)CC1(O)C2;OYELYXZQCXXTEU-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286330;MM286330;CCC12CC(=O)C(O)(C1)C2;HOLXRRJSHIFODD-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286331;MM286331;O=C1CC2(CF)CC1(O)C2;RZOGLKBWUPSSJU-UHFFFAOYSA-N;144.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286332;MM286332;C=C1CC2(CC)CC1(F)C2;WBFMIBWJOOFUMJ-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286333;MM286333;C=C1CC2(CN)CC1(F)C2;YHYXDRREGQTMJO-UHFFFAOYSA-N;141.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286334;MM286334;C=C1CC2(CO)CC1(F)C2;CTDNJHGUYACZMW-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286335;MM286335;C=C1CC2(NC)CC1(C)C2;MTDCPCJZDLWJGQ-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286336;MM286336;CNC12CC(=O)C(C)(C1)C2;YPLAHPSVENNVOE-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286337;MM286337;C=C1CC2(NC)CC1(N)C2;UBULXHHFXRZHKA-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286338;MM286338;C=C1CC2(NC)CC1(O)C2;ONDXKTMYJQVZCJ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286339;MM286339;CNC12CC(=O)C(O)(C1)C2;YVZSVNYFKODMPS-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286340;MM286340;C=C1CC2(NC)CC1(F)C2;PYCXZDWHBCVXQW-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286341;MM286341;C=C1CC2(OC)CC1(C)C2;WWYZNNJSGFZRLK-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286342;MM286342;COC12CC(=O)C(C)(C1)C2;TWMXVTXQRJQQND-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286343;MM286343;C=C1CC2(OC)CC1(O)C2;DKTWWUGEQPGZMP-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286344;MM286344;C=C1CC2(OC)CC1(F)C2;MWGMSIKCNMWCRL-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286345;MM286345;CCC12CC(C)(C1)C(=N)N2;FZDQJSFJUOKLPY-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286346;MM286346;CC12CC(CN)(C1)NC2=N;AOJVHTVTEWMKQP-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286347;MM286347;CC12CC(CO)(C1)NC2=N;AUDZYQFAOCARBC-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286348;MM286348;CCC12CC(C)(C1)C(=O)N2;OZQVVEXRXBSIJD-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286349;MM286349;CC12CC(CN)(C1)NC2=O;HAPLGYAXUBSHNO-UHFFFAOYSA-N;140.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286350;MM286350;CC12CC(CO)(C1)NC2=O;XJBBNMSGNDJJFI-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286351;MM286351;CCC12CC(N)(C1)C(=N)N2;JUOSOFMTSODCOZ-UHFFFAOYSA-N;139.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286352;MM286352;N=C1NC2(CN)CC1(N)C2;XKNNPBGFAPOAFR-UHFFFAOYSA-N;140.19;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286353;MM286353;N=C1NC2(CO)CC1(N)C2;RGLONUFPHQIBNV-UHFFFAOYSA-N;141.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286354;MM286354;N=C1NC2(CF)CC1(N)C2;YNOFVTXYFJLJAF-UHFFFAOYSA-N;143.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286355;MM286355;NCC12CC(N)(C1)C(=O)N2;WDYGNFMYZWPXMH-UHFFFAOYSA-N;141.17;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286356;MM286356;CCC12CC(O)(C1)C(=N)N2;YFOHCFJROUKNTA-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286357;MM286357;N=C1NC2(CN)CC1(O)C2;AADJMHJPIRJOLG-UHFFFAOYSA-N;141.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286358;MM286358;C=C1OC2(CC)CC1(C)C2;HBZBGUAYFBLUEL-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286359;MM286359;C=C1OC2(CN)CC1(C)C2;VSHQWUUTGLGZQC-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286360;MM286360;CCC12CC(C)(C1)C(=O)O2;XHOKHZSWQSNWIT-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286361;MM286361;C=C1OC2(CC)CC1(N)C2;LHIVRQUNBADYBQ-UHFFFAOYSA-N;139.2;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286362;MM286362;C=C1OC2(CN)CC1(N)C2;XRMBEFJBIQZQJE-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286363;MM286363;C=C1OC2(CO)CC1(N)C2;ZEPRDGMGXBUKKR-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286364;MM286364;C=C1OC2(CC)CC1(O)C2;VTEZFAXIHWZBTH-UHFFFAOYSA-N;140.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286365;MM286365;C=C1OC2(CO)CC1(O)C2;AGCFJEISDFYOIU-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286366;MM286366;C=C1OC2(CC)CC1(F)C2;INVGGZAGNYUUDR-UHFFFAOYSA-N;142.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286367;MM286367;C=C1OC2(OC)CC1(C)C2;BMWFCANEVPELCF-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286368;MM286368;C=C1CC2(CC)CC1(C)N2;PNWVHOUZGVXABH-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286369;MM286369;C=C1CC2(CN)CC1(C)N2;JQOVMNXCMMSBOT-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286370;MM286370;C=C1CC2(CO)CC1(C)N2;DRHSJQHCFARHAW-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286371;MM286371;CCC12CC(=O)C(C)(C1)N2;SZJZOEJDGWTDAC-UHFFFAOYSA-N;139.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286372;MM286372;C=C1CC2(CC)CC1(C)O2;OTLHSYQPLAEUQO-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286373;MM286373;C=C1CC2(CN)CC1(C)O2;SUPNKLWIXFPUGQ-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286374;MM286374;C=C1CC2(CO)CC1(C)O2;SGUHBYDVUHFBHF-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286375;MM286375;C=C1CC2(CF)CC1(C)O2;XWLYKKIKMXAHMI-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286376;MM286376;CCC12CC(=O)C(C)(C1)O2;SHXWUOODTJNDIN-UHFFFAOYSA-N;140.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286377;MM286377;CC12CC(CO)(CC1=O)O2;ANJXHJOUWAFAHA-UHFFFAOYSA-N;142.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286378;MM286378;C=CC12CC(=C)C(C)(C1)C2;PCTZDBKPGVACQJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286379;MM286379;C=C1CC2(C=O)CC1(C)C2;XEWFJIJYQBRQST-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286380;MM286380;C=C1CC2(C#N)CC1(C)C2;JNSMKBNFSKDBJK-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286381;MM286381;C=CC12CC(=O)C(C)(C1)C2;XHBJFNNVVFJASB-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286382;MM286382;CC12CC(C=O)(CC1=O)C2;OQIFGLHPVXKCAL-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286383;MM286383;CC12CC(C#N)(CC1=O)C2;LFLYLOBSPGENPW-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286384;MM286384;C=CC12CC(=C)C(N)(C1)C2;VJFLSGGPJSLXSJ-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286385;MM286385;C#CCNC(=O)C(=C)CC;BZORXFDTOFPSFI-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286386;MM286386;C=C1CC2(C=O)CC1(O)C2;RJKSYLGZECUQHV-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286387;MM286387;C=C1CC2(C#N)CC1(O)C2;NLOKCHJCQBSGFY-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286388;MM286388;C=CC12CC(=O)C(O)(C1)C2;LEFCRVPEZFVYPG-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286389;MM286389;N#CC12CC(=O)C(O)(C1)C2;YKWDFORWBNKPFI-UHFFFAOYSA-N;137.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286390;MM286390;C=CC12CC(=C)C(F)(C1)C2;OMCFAKUUPVCMCJ-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286391;MM286391;C=C1CC2(C=O)CC1(F)C2;GESWKNOXPNFKEM-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286392;MM286392;C=C1CC2(C#N)CC1(F)C2;FLBJJFNUILJLEZ-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286393;MM286393;CC12CC(C#N)(C1)NC2=N;SUNYLPBNNSBPFT-UHFFFAOYSA-N;135.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286394;MM286394;C=CC12CC(C)(C1)C(=O)N2;GRUKKTPTOVEIFT-UHFFFAOYSA-N;137.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286395;MM286395;CC12CC(C=O)(C1)NC2=O;AICMIWNRYIOVJI-UHFFFAOYSA-N;139.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286396;MM286396;CC12CC(C#N)(C1)NC2=O;GRABBCOBWKIBQR-UHFFFAOYSA-N;136.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286397;MM286397;C=CC12CC(N)(C1)C(=N)N2;BISUEAYYEACXML-UHFFFAOYSA-N;137.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286398;MM286398;C=CC12CC(O)(C1)C(=N)N2;OVBWCHKFCDZBLN-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286399;MM286399;C#CCNC(=O)C(C)=CC;DXYCIGAEOCKBBF-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286400;MM286400;C=CC12CC(C)(C1)C(=C)O2;JSDQEPNIPFKYMW-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286401;MM286401;C=C1OC2(C=O)CC1(C)C2;LAONHTYBBPEQEK-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286402;MM286402;C=C1OC2(C#N)CC1(C)C2;JRLMCMCREIKUSG-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286403;MM286403;CC12CC(C#N)(C1)OC2=O;NWGGTLCACQAILO-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286404;MM286404;C=CC12CC(N)(C1)C(=C)O2;FUXAGFRAKKARPA-UHFFFAOYSA-N;137.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286405;MM286405;C=CC12CC(O)(C1)C(=C)O2;RQDQATXUIWEQMB-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286406;MM286406;C=C1OC2(C=O)CC1(O)C2;PFKSOSAJVDJVEZ-UHFFFAOYSA-N;140.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286407;MM286407;C=C1OC2(C#N)CC1(O)C2;LCMCHCFIKJXAFG-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286408;MM286408;C=CC12CC(F)(C1)C(=C)O2;APGVODMBAFIVKK-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286409;MM286409;C=C1OC2(C#N)CC1(F)C2;SDUPKCOLAWIJLH-UHFFFAOYSA-N;139.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286410;MM286410;C=CC12CC(=C)C(C)(C1)N2;NJRJQTKNYCKTEE-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286411;MM286411;C=C1CC2(C#N)CC1(C)N2;HGUZQTUZQCNDQZ-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286412;MM286412;CCC(F)C=NNCCO;AHMRNUIYGRRPHS-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286413;MM286413;C=CC(=C)C=NNCCO;FOYMDZJPWQYBTA-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286414;MM286414;C=CC12CC(=C)C(C)(C1)O2;INBFJNWKUSHTQW-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286415;MM286415;C=C1CC2(C=O)CC1(C)O2;INARDRZEYIUGAO-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286416;MM286416;C=C1CC2(C#N)CC1(C)O2;GMTDGDDEMCRMER-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286417;MM286417;C=CC12CC(=O)C(C)(C1)O2;IBAOXQUQGIXAAE-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286418;MM286418;CC12CC(C#N)(CC1=O)O2;CXWVANXMJPYWKE-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286419;MM286419;C#CC12CC(=C)C(C)(C1)C2;TVLOHDHHHFRTHT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286420;MM286420;C#CC12CC(=O)C(C)(C1)C2;LQNCKQJSLCVLRM-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286421;MM286421;C#CC12CC(=C)C(N)(C1)C2;OLTIKYSZJIPTTB-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286422;MM286422;CC=C(C)C=NNCCO;WJGOLDXRIAAHLQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286423;MM286423;C#CC12CC(=O)C(O)(C1)C2;UZDWLNGFBNJDKY-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286424;MM286424;C#CC12CC(=C)C(F)(C1)C2;XNHICECYICYMBY-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286425;MM286425;C#CC12CC(C)(C1)C(=N)N2;DSRKNDWDNKAHCJ-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286426;MM286426;C#CC12CC(C)(C1)C(=O)N2;UKNAGTOMAZIGFQ-UHFFFAOYSA-N;135.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286427;MM286427;C#CC12CC(N)(C1)C(=N)N2;MNICHGFVLOJVAB-UHFFFAOYSA-N;135.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286428;MM286428;C#CC12CC(O)(C1)C(=N)N2;AQYMCJDAYLJCOR-UHFFFAOYSA-N;136.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286429;MM286429;C#CC12CC(F)(C1)C(=N)N2;DYCHUMODQXGBCB-UHFFFAOYSA-N;138.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286430;MM286430;C#CC12CC(C)(C1)C(=C)O2;SQQJCYVAJCJKPO-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286431;MM286431;C#CC12CC(C)(C1)C(=O)O2;LOFKFGNYRMRQBQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286432;MM286432;C#CC12CC(N)(C1)C(=C)O2;DFMWCRKTQYDPLO-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286433;MM286433;C#CC12CC(F)(C1)C(=C)O2;CINUWRQQKUDCMD-UHFFFAOYSA-N;138.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286434;MM286434;C#CC12CC(=C)C(C)(C1)N2;ZFUNZKUJUBRPDV-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286435;MM286435;C#CC12CC(=C)C(C)(C1)O2;DIIOKBGGOJWJKW-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286436;MM286436;C#CC12CC(=O)C(C)(C1)O2;PHBOZMMWWLYMOJ-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286437;MM286437;CCC12C=C(C)C(C)(C1)C2;UIAHKURVONXYNB-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286438;MM286438;CC1=CC2(CN)CC1(C)C2;OQGGXPIPEMPBIT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286439;MM286439;CC=C(F)C=NNCCO;DYWCREPGGRLDRS-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286440;MM286440;CCC12C=C(F)C(C)(C1)C2;WANDVMMXCVKTFO-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286441;MM286441;CC12CC(CN)(C=C1F)C2;MCKUOQMIFQZGTF-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286442;MM286442;CCC12C=C(C)C(N)(C1)C2;GKOZPBJQMJEKPO-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286443;MM286443;CC1=CC2(CN)CC1(N)C2;JFYFDTOVVMRIKB-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286444;MM286444;CC1=CC2(CO)CC1(N)C2;WTEAAOQZFIJIFL-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286445;MM286445;C=NOC(CNC=O)OC;JQZYPJCCSFMARF-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286446;MM286446;CC1=CC2(CN)CC1(O)C2;LJGIWHARTPJRMV-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286447;MM286447;CC1=CC2(CO)CC1(O)C2;UPPGCKQQVWNSPF-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286448;MM286448;CCC12C=C(C)C(F)(C1)C2;UPYJBUWSYYGZTC-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286449;MM286449;CC1=CC2(CN)CC1(F)C2;XOXDWDXOFSTPJD-UHFFFAOYSA-N;141.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286450;MM286450;CC1=CC2(CO)CC1(F)C2;YXCLJDOESVEGLT-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286451;MM286451;CNC12C=C(C)C(C)(C1)C2;ZZBRTZVWXVOTGH-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286452;MM286452;CNC12C=C(C)C(N)(C1)C2;KLHQEESUYKTGGE-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286453;MM286453;CNC12C=C(C)C(O)(C1)C2;AWSJNZHSCQRMEX-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286454;MM286454;CNC12C=C(C)C(F)(C1)C2;LVHUXHUCUAKAHK-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286455;MM286455;COC12C=C(C)C(C)(C1)C2;RWSKMAUNZQLTQN-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286456;MM286456;COC12C=C(C)C(N)(C1)C2;YFETXCJOSHPAHQ-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286457;MM286457;COC12C=C(C)C(O)(C1)C2;KKCBLMJUVWSINF-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286458;MM286458;COC12C=C(C)C(F)(C1)C2;OFGHPIHWZNGTIB-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286459;MM286459;CCC12C=C(C)C(C)(C1)N2;SNDMCWMELFOSBE-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286460;MM286460;CC1=CC2(CN)CC1(C)N2;BTPHZWDRADMESF-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286461;MM286461;CCC12C=C(C)C(C)(C1)O2;JUEVWAZRCFPORC-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286462;MM286462;CC1=CC2(CN)CC1(C)O2;PWXIPHOOKPCZNI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286463;MM286463;CC1=CC2(CO)CC1(C)O2;PUARELBPVMMDLY-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286464;MM286464;C=CC12C=C(C)C(C)(C1)C2;PUDUXFUYVJREOL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286465;MM286465;CC1=CC2(C=O)CC1(C)C2;XQYRKBSVWQRMTR-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286466;MM286466;CC1=CC2(C#N)CC1(C)C2;FOHJLALKBHBEAG-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286467;MM286467;CC12CC(C#N)(C=C1F)C2;PXQXDZNSUXQDTR-UHFFFAOYSA-N;137.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286468;MM286468;C=CC12C=C(C)C(N)(C1)C2;XPRHFMRUQMUNOE-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286469;MM286469;C=CC(=NN)OC=CCO;YDNOMVQBXMQMDE-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286470;MM286470;CC1=CC2(C=O)CC1(O)C2;ASYYEGMJECKDSI-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286471;MM286471;CC1=CC2(C#N)CC1(O)C2;UVARSGIORDVGSX-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286472;MM286472;C=CC12C=C(C)C(F)(C1)C2;NCCXZFQQFJCKKD-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286473;MM286473;CC1=CC2(C=O)CC1(F)C2;CTUDMUYWXHNEMO-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286474;MM286474;CC1=CC2(C#N)CC1(F)C2;RHEABJVAGICPOV-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286475;MM286475;CC1=CC2(C#N)CC1(C)N2;YEXAFMNNCZLOHP-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286476;MM286476;C=CC12C=C(C)C(C)(C1)O2;DQBKGAMOWFADFW-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286477;MM286477;CC1=CC2(C=O)CC1(C)O2;KLENDHHNJAUBQA-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286478;MM286478;CC1=CC2(C#N)CC1(C)O2;HWXYWQRJYFRHIK-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286479;MM286479;C#CC12C=C(C)C(C)(C1)C2;WYXJSJVFJGESIN-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286480;MM286480;C#CC12C=C(F)C(C)(C1)C2;VCMBSDLVIAQCRE-UHFFFAOYSA-N;136.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286481;MM286481;C#CC12C=C(C)C(N)(C1)C2;WCNFSBDBTSPRMH-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286482;MM286482;C#CC(=NN)OC=CCO;SGLWBUNQZJRXPY-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286483;MM286483;C#CC12C=C(C)C(F)(C1)C2;QEPLXJWOWBYQEG-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286484;MM286484;C#CC12C=C(C)C(C)(C1)O2;ALEMGJHEWVXTGY-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286485;MM286485;CN1C(=N)CC2(N)CC1C2;IVGSTUCRQHSGQD-UHFFFAOYSA-N;139.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286486;MM286486;CN1C(=N)NC2(C)CC1C2;WULXUKCZFHNINV-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286487;MM286487;CC12CC(C1)N(N)C(=N)N2;JIWVNHLHMHSRTM-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286488;MM286488;CN1CC2(F)CC(C2)C1=N;DUQYLAOBHNHAKF-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286489;MM286489;C=C1CC2(N)CC(C2)C1=C;SEUOBEPIJIYKHW-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286490;MM286490;C=C1CC2(F)CC(C2)C1=C;IBGWAKPYEBANEP-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286491;MM286491;C=C1C(=N)NC2(C)CC1C2;KDYMIJKIMXIDRC-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286492;MM286492;C=C1C(=O)NC2(C)CC1C2;UOSZZFOTLGVQHE-UHFFFAOYSA-N;137.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286493;MM286493;CCC(CC)=NNCCO;MFOYQGLQBYMWBN-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286494;MM286494;C=C1OC2(C)CC(C2)C1=C;BJVBVIUVSGMFJC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286495;MM286495;C=C1C(=O)OC2(C)CC1C2;QUZYRUVKTHVMRN-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286496;MM286496;C=C1OC2(C)CC(C2)C1=O;FUHGVAGVQGWFIO-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286497;MM286497;CC1=NC2(C)CC(C2)N1N;GQVBDKSYNCCSDO-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286498;MM286498;C=C1C(C)=CC2(C)CC1C2;WXKPVUIPPIFHMT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286499;MM286499;C=C1C(C)=CC2(N)CC1C2;ZTLGHOKLFNERLF-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286500;MM286500;C=C1C(F)=CC2(N)CC1C2;AJCAXFGNFSNRBN-UHFFFAOYSA-N;139.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286501;MM286501;CC1=C(C)C2CC(C)(C1)C2;ZNCZATNBERJDRR-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286502;MM286502;CC1=C(F)C2CC(F)(C1)C2;VRMTWZBQLBHVNI-UHFFFAOYSA-N;144.16;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286503;MM286503;CC1=C(C)C2CC(C)(C2)O1;HDKQMWWANQQCPB-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286504;MM286504;CC1CC2(C)CC2(C)C1C;GNSXLJJOAXKWMK-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286505;MM286505;CCC(C#N)=NNCCO;YLXBXCRLXQREHF-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286506;MM286506;CC12CC(N)C(N)C1(C)C2;WXYBCPXGQPIRHH-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286507;MM286507;CC1C(N)CC2(N)CC12C;KPJIEHJUWARTNP-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286508;MM286508;CC1NC2(C)CC2(C)C1C;JRZILQWEWGJWCB-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286509;MM286509;C=C1CC2(C)CC2(C)C1C;LFTAMJWPVSUIJV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286510;MM286510;CC1C(=O)CC2(C)CC12C;RLNKDDWPNYDKFD-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286511;MM286511;C=C1CC2(N)CC2(C)C1C;AAFNSVNHTBGRND-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286512;MM286512;C=C1CC2(C)CC2(N)C1C;SOXDWTQLNJBMKC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286513;MM286513;CC1(C)Cn2cc(O)cc21;SNYJHKSSENIPJN-UHFFFAOYSA-N;137.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286514;MM286514;CC1(O)Cn2cc(O)cc21;AYCYHKZKLRXDIZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286515;MM286515;CC1(F)Cn2cc(O)cc21;KCAXZTJCORJLCN-UHFFFAOYSA-N;141.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286516;MM286516;CC1(C)Nc2cn(O)cc21;SFJWXFUNRNYWGU-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286517;MM286517;CC1(C)Oc2cn(O)cc21;IUMAPHVCNXNCTC-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286518;MM286518;CC12CC3(F)CC1C2(C)C3;NCPDFMJOJNXZHQ-UHFFFAOYSA-N;140.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286519;MM286519;Cn1onc(O)c1=N;OOCFESVAYKMPHA-UHFFFAOYSA-N;115.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286520;MM286520;CON=C(C)CC(=O)O;JKVPDEJZULCHDU-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286521;MM286521;Nc1n[nH]c(O)c1O;YNAPEKFNYOJMEW-UHFFFAOYSA-N;115.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286522;MM286522;CC(=NN)C(CO)C(=O)O;UNXUYJNCFZRJTG-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286523;MM286523;CC(=NO)N(C)CC(=O)O;DNBVGYDNRNLCMB-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286524;MM286524;O=c1o[nH]c(=NCCF)o1;QCVIWGCWJWLXDA-UHFFFAOYSA-N;148.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286525;MM286525;Nc1cc(=O)[nH]c(=O)cn1;UZJJDLKMPJCMEG-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286526;MM286526;N=c1c(=O)n(N)[nH]n1O;OSQBIBFVANYCDA-UHFFFAOYSA-N;131.1;-2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286527;MM286527;CC(C(=O)C=O)C(=O)C=O;HGKZPPFEEJDAQP-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286528;MM286528;O=c1ccc(=O)n(O)[nH]1;AMUJVQCCQQEGRH-UHFFFAOYSA-N;128.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286529;MM286529;C=COC=CC(=O)O;ZRTBSLOGPYLFGM-UHFFFAOYSA-N;114.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286530;MM286530;CCOC(C)(C)C(=O)O;ZCGZOPIPEZCKKQ-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286531;MM286531;C=C(C)COCC(=O)O;KWBYXBYRUHMDAR-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286532;MM286532;COCC(C=O)CC(=O)O;OTPILLMNLTVPHC-UHFFFAOYSA-N;146.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286533;MM286533;CCCC(C)(O)C(=O)O;BIEZUWIUHAKFHZ-UHFFFAOYSA-N;132.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286534;MM286534;CCCC(O)C(=O)NOC;WZQQOCVSSGYXSC-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286535;MM286535;CC(CC(=O)O)C(O)C=O;IOFIQZBIWPICJO-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286536;MM286536;COC(C)ONC(=O)CO;XIMCVHBBESCINN-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286537;MM286537;CC(CC(=O)O)C(=O)CO;FWZVUYFMTPAUGV-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286538;MM286538;Cn1[nH]nc(CO)c1=O;VPCQDMUFKUPNOF-UHFFFAOYSA-N;129.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286539;MM286539;CC(=CC(O)CO)C(=O)O;QAMUITMLUWAJJS-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286540;MM286540;CC(=O)C(CO)CC(=O)O;APPVMSIJNZFGHP-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286541;MM286541;C=C(C(=O)O)C(CO)CO;YGKKBLTWUOEMFT-UHFFFAOYSA-N;146.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286542;MM286542;O=CCC(CO)CC(=O)O;RAZMGTPZOWFVRS-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286543;MM286543;O=c1nnc(O)nc(=O)[nH]1;KRXPIGCUPRQXHJ-UHFFFAOYSA-N;142.07;-2.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286544;MM286544;Nc1cc(=O)ccc(=O)[nH]1;KKJOZAWLMUNNAU-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286545;MM286545;Nc1cc(=O)ncc(=O)[nH]1;FNMYHCZLCNJFHA-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286546;MM286546;CC(C)=C(F)C(C#N)=NO;ANOCHXCCBHSVOP-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286547;MM286547;O=C(O)CCC(=O)CCO;NDTOOPBXVZHXDG-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286548;MM286548;N=c1ncc(=O)cc(N)[nH]1;ZMDZMCZPAKZLFW-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286549;MM286549;Nc1cc(=O)cnc(=O)[nH]1;PVIWXGYOZUXUQF-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286550;MM286550;Cc1cc(=N)nnc(=O)[nH]1;QUVSNEXQVVVFPV-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286551;MM286551;Cc1cc(=O)nnc(=O)[nH]1;SUAPHLAGUSGULM-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286552;MM286552;NC(=O)CC=CC(=O)O;ONVFQJHQPZBZCD-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286553;MM286553;C#CC(C=CC(=O)O)CO;CHVBMFGMCSWPPI-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286554;MM286554;O=c1cc(F)[nH]c(=O)nn1;OWGUGCYMMWUDEB-UHFFFAOYSA-N;143.08;-1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286555;MM286555;O=CNCC=CC(=O)O;QVRQXHUMLAYOGM-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286556;MM286556;Cc1c(O)nnn1C;OKQDXWUFSMPASH-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286557;MM286557;C#CC(O)C(CO)=NO;AZNZNUZNJIKLHW-UHFFFAOYSA-N;129.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286558;MM286558;NC(=O)C=CCC(=O)O;LDTQXPAHRGAWBI-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286559;MM286559;Nn1nc(O)c(O)c1O;GVXSPUYUFCENDS-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286560;MM286560;CN=c1nc(O)nnn1N;AUCZZXPFHFALPG-UHFFFAOYSA-N;142.12;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286561;MM286561;C=CCC(C=NO)C(=O)O;ATZXCDIFPKGWSA-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286562;MM286562;CC(C(=O)O)C(CO)=NN;RAMDKBCQSJIOGE-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286563;MM286563;CCCN=C(N)C(=O)O;CJOHTPMQHPSYQE-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286564;MM286564;CC(=CN)C(=NN)C(=O)O;ZDOGWADANBKLDQ-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286565;MM286565;Cc1cc(=O)ccc(=O)o1;DLCAWWDJVOOPKC-UHFFFAOYSA-N;138.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286566;MM286566;CC(C(=O)O)C(N)=NO;LHMOEBBQEBWZPM-UHFFFAOYSA-N;132.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286567;MM286567;O=c1ccc(=O)oc(F)c1;XJTIQWCVSJVJCB-UHFFFAOYSA-N;142.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286568;MM286568;Cc1cc(=N)ncc(=O)o1;ZJVOHNDCURYVNN-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286569;MM286569;Cc1cc(=O)ncc(=O)o1;JQQSPGDLXRHLHN-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286570;MM286570;Nc1cc(=O)ncc(=O)o1;OASMUODVLSWBFM-UHFFFAOYSA-N;140.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286571;MM286571;O=c1cc(F)[nH]o1;CZAKSLIWHBBUQA-UHFFFAOYSA-N;103.05;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286572;MM286572;C=CC1(C=O)CC1C(=O)O;AENCKPSEXSRLMD-UHFFFAOYSA-N;140.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286573;MM286573;N=c1cc(F)oc(=O)cn1;SHFZJEGHQSHORY-UHFFFAOYSA-N;142.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286574;MM286574;O=c1cc(F)oc(=O)cn1;QNQPNDIGAZJXAE-UHFFFAOYSA-N;143.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286575;MM286575;Cc1cc(=O)cnc(=N)o1;QXLKKDQIPDJOTQ-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286576;MM286576;Cc1cc(=O)cnc(=O)o1;NABRICAELHQCHB-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286577;MM286577;CONC(=O)COC=O;FQBFQXXBBGEQJW-UHFFFAOYSA-N;133.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286578;MM286578;CC#CC(CC(=O)O)OC;UEMKOIWYGPVCEV-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286579;MM286579;N=c1ncc(=O)cc(F)o1;MOWCXRAPZANITP-UHFFFAOYSA-N;142.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286580;MM286580;O=c1cnc(=O)oc(F)c1;AMVHBKKVLPETAX-UHFFFAOYSA-N;143.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286581;MM286581;Cc1cc(=N)nnc(=N)o1;YODLFVRZZCSMSP-UHFFFAOYSA-N;138.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286582;MM286582;Cc1cc(=O)nnc(=N)o1;RGFGYVUWAASXJJ-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286583;MM286583;Cc1cc(=N)nnc(=O)o1;KGUVDUVWECJOCS-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286584;MM286584;Cc1cc(=O)nnc(=O)o1;CNDWFVVHFARXKU-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286585;MM286585;C#CC(C#N)=NNCCO;BJNRUCXFVVKURS-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286586;MM286586;CN(CCO)N(C=N)C=O;LNWUJRBBKVCVJH-UHFFFAOYSA-N;145.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286587;MM286587;Nc1cc(=O)nnc(=O)o1;VSHRLLRBJIRCPI-UHFFFAOYSA-N;141.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286588;MM286588;C#CC(OC)C(C)C(=O)O;URXCHYKMRBUCRH-UHFFFAOYSA-N;142.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286589;MM286589;CC(C(=O)O)C1CO1;NRPQYYMJRXHOMR-UHFFFAOYSA-N;116.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286590;MM286590;COC1CC1C(=O)O;LAWCUGGFTNCCKX-UHFFFAOYSA-N;116.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286591;MM286591;CONC(=O)C(C)OC;HHYOYSGIFFQASV-UHFFFAOYSA-N;133.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286592;MM286592;N=c1cc(F)oc(=N)nn1;JUFQZPQGHUQRQL-UHFFFAOYSA-N;142.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286593;MM286593;N=c1nnc(=O)cc(F)o1;SSZQKSSSDRAGBE-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286594;MM286594;N=c1cc(F)oc(=O)nn1;LPQKRESNDXCYHC-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286595;MM286595;O=c1cc(F)oc(=O)nn1;VVULTXJZBRGLKB-UHFFFAOYSA-N;144.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286596;MM286596;Cc1nc(=N)ncc(=O)o1;RQRJWZSKUWTIKO-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286597;MM286597;Cc1nc(=O)ncc(=O)o1;MFTLTUBIMLIQQD-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286598;MM286598;N#CC=CNCCNC=O;SZSLRZMJAVKJEF-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286599;MM286599;Nc1nc(=O)ncc(=O)o1;YAUHMOQUQIOEIR-UHFFFAOYSA-N;141.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286600;MM286600;CNc1nc(=O)onc1O;PYFQVSDEAXNOEW-UHFFFAOYSA-N;143.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286601;MM286601;CCCC=CC(O)C(=O)O;ZUYNRZIJQNFCRP-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286602;MM286602;N=c1ncc(=O)oc(F)n1;NRAZBLUILFRZAB-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286603;MM286603;O=c1ncc(=O)oc(F)n1;WFHOVEVNISIPCB-UHFFFAOYSA-N;144.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286604;MM286604;Cc1nc(=O)cnc(=N)o1;IKEJCAZKJFVGOL-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286605;MM286605;Cc1nc(=O)cnc(=O)o1;WOYBHIACVOIBHX-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286606;MM286606;O=CON=COC=CCO;WVEVKMUYQLZUEE-UHFFFAOYSA-N;145.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286607;MM286607;NN=CC=COC=CCO;CNXFQQRDNWAJME-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286608;MM286608;Nc1nc(=O)cnc(=O)o1;LOSKXLCYJZKOIA-UHFFFAOYSA-N;141.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286609;MM286609;NC=C(C=O)CC(=O)O;UHOWYBBFMSEQTG-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286610;MM286610;C=C(CO)C(CO)C(=O)O;FROAIHOPNIWIRA-UHFFFAOYSA-N;146.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286611;MM286611;N=c1ncc(=O)nc(F)o1;QXINUEBLTSSHNX-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286612;MM286612;O=c1cnc(=O)oc(F)n1;GGHCXJFMFUWLID-UHFFFAOYSA-N;144.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286613;MM286613;Cc1nc(=N)nnc(=N)o1;APHUBNCTEOODAW-UHFFFAOYSA-N;139.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286614;MM286614;Cc1nc(=O)nnc(=N)o1;SEXKSCWLLWGSHW-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286615;MM286615;Cc1nc(=N)nnc(=O)o1;GMIQQLAQIZIFAF-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286616;MM286616;Cc1nc(=O)nnc(=O)o1;PBFXGOBWLLOJFL-UHFFFAOYSA-N;141.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286617;MM286617;OCCNN=CCCCF;ZUPZFAQDWNKUHK-UHFFFAOYSA-N;148.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286618;MM286618;N=c1nnc(=O)nc(N)o1;LOGOMNFMBDOHJL-UHFFFAOYSA-N;141.09;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286619;MM286619;C=CCCC=NNCCO;QRBLHRJICYYSCK-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286620;MM286620;Nc1nc(=O)nnc(=O)o1;FCHDPAWDHKJMLK-UHFFFAOYSA-N;142.07;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286621;MM286621;COC=CC(CO)C(=O)O;AQFYEUORBSNUHG-UHFFFAOYSA-N;146.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286622;MM286622;CC(F)(F)CC(C#N)=NO;FWOIEXVYFNMNMF-UHFFFAOYSA-N;148.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286623;MM286623;O=C(O)C(=CCO)CCO;ZIAMVZISRLNMKF-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286624;MM286624;CCn1nnc(O)c1C;AERKCXQBTLYLTB-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286625;MM286625;N=c1nnc(=N)oc(F)n1;KEJCTAJDBPTFGB-UHFFFAOYSA-N;143.08;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286626;MM286626;N=c1nnc(=O)nc(F)o1;RRWHWZAHKMSZAI-UHFFFAOYSA-N;144.07;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286627;MM286627;N=c1nnc(=O)oc(F)n1;XVXWADMDARXDFH-UHFFFAOYSA-N;144.07;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286628;MM286628;O=c1nnc(=O)oc(F)n1;LNURQKQWVWRPKA-UHFFFAOYSA-N;145.05;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286629;MM286629;C=C(CC(=O)O)C(N)=O;BLRZZXLJCJKJII-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286630;MM286630;N=c1nnnc(N)c(=O)[nH]1;QZMKYPJWLZSJEH-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286631;MM286631;CNc1n[nH]c(O)c1O;XYZRTMIFNYPJKH-UHFFFAOYSA-N;129.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286632;MM286632;O=c1cc(O)[nH]c(=O)nn1;ZAPKWUQJBZOEBL-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286633;MM286633;O=CC1(CC(=O)O)CC1;VYOLAPDNTHHQAX-UHFFFAOYSA-N;128.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286634;MM286634;CN(C)N=c1o[nH]c(=O)o1;NEEZKAFFUNTKNS-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286635;MM286635;CNc1cc(=O)nc(O)o1;MQDIJSXKFOCEBP-UHFFFAOYSA-N;142.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286636;MM286636;CC(COC=CF)C(=O)O;OVHFCWBREJPHJE-UHFFFAOYSA-N;148.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286637;MM286637;CC(C=O)OCCC(=O)O;UNFZQPPABWGZSQ-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286638;MM286638;CC(O)=Cc1coc(=O)o1;WBBOLHMRGJVICO-UHFFFAOYSA-N;142.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286639;MM286639;O=c1nc(O)n(O)oc1=O;LXPQJGWBIYBMFX-UHFFFAOYSA-N;146.06;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286640;MM286640;C=C(C(=O)O)C(O)C(C)F;OBRBSWPPFLNSTR-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286641;MM286641;O=c1ncc(=O)c(O)no1;UNTPOMKFLBXWDY-UHFFFAOYSA-N;142.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286642;MM286642;O=c1cnn(CC(F)F)o1;YLXYQHUNXIFOCS-UHFFFAOYSA-N;150.08;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286643;MM286643;CC(F)=Cn1ncc(=O)o1;ZKQKAGQFFDCUQE-UHFFFAOYSA-N;144.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286644;MM286644;O=c1cnn(C=C(F)F)o1;NWYBPXIGSQMUIG-UHFFFAOYSA-N;148.07;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286645;MM286645;CC(C)N=c1ncn(C)o1;IEHSFURGUJVZMJ-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286646;MM286646;C=c1ccc(=CC(C)C)o1;NAAIATFSSDEXCO-UHFFFAOYSA-N;136.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286647;MM286647;Cc1coc(=NN(C)C)o1;ZHGIKGUUNINNCK-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286648;MM286648;C#CCCC=NNCCO;KFWZTGNIGSRFDG-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286649;MM286649;CC#CC(C)(O)CC(=O)O;XSNKLPPYBWINKO-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286650;MM286650;CN(C)N=c1occ(F)o1;OAUAZEYKSZCHBO-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286651;MM286651;Cc1noc(=NN(C)C)o1;KVSSBTUMLTZGQT-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286652;MM286652;CC=CCC=NNCCO;SNUQKSGFPYKKJI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286653;MM286653;O=C(O)C1CC(F)(CO)C1;NXHPPDBJWZKDNI-UHFFFAOYSA-N;148.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286654;MM286654;CN(C)N=c1onc(F)o1;HLZJVDALACGWQK-UHFFFAOYSA-N;147.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286655;MM286655;CC(C)Cc1coc(=O)o1;ZRKLNAXQPVAFTP-UHFFFAOYSA-N;142.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286656;MM286656;CC(N)Cc1coc(=O)o1;HWQJFHNCKNCLKV-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286657;MM286657;CC(O)Cc1coc(=O)o1;CSSHSKXULDGIRU-UHFFFAOYSA-N;144.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286658;MM286658;CC(F)Cc1coc(=O)o1;OOEPZYSOACNAEF-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286659;MM286659;O=c1occ(CC(F)F)o1;VCASFOZFORRJAP-UHFFFAOYSA-N;150.08;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286660;MM286660;CC(C)Nc1coc(=O)o1;OWRNZLBPLKKOAA-UHFFFAOYSA-N;143.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286661;MM286661;CC(C)Oc1coc(=O)o1;LLZIPZVOHJNIHU-UHFFFAOYSA-N;144.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286662;MM286662;CC(C)Cc1noc(=O)o1;JQVZZKWQNQDSSW-UHFFFAOYSA-N;143.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286663;MM286663;CC(N)Cc1noc(=O)o1;YDGSWYZDXLTMGM-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286664;MM286664;CC(O)Cc1noc(=O)o1;QNEGCVHCQSECFX-UHFFFAOYSA-N;145.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286665;MM286665;CC(F)Cc1noc(=O)o1;NSXXCBSPCKPFEZ-UHFFFAOYSA-N;147.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286666;MM286666;O=c1onc(CC(F)F)o1;MWGAYCYRRSPNGO-UHFFFAOYSA-N;151.07;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286667;MM286667;OCCNN=CCC=CF;DCGNVFUIRZCOHD-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286668;MM286668;CC(C)Oc1noc(=O)o1;ZWKJRSMZEDMJMZ-UHFFFAOYSA-N;145.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286669;MM286669;CN(C)Cc1noc(=O)o1;NELPIOGCAWJTAV-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286670;MM286670;C=C(C)Cc1coc(=O)o1;MEJMHCLDSLZJAJ-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286671;MM286671;CC(=O)Cc1coc(=O)o1;DZZZCLRRQONNCX-UHFFFAOYSA-N;142.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286672;MM286672;N=C(N)Cc1coc(=O)o1;QQZNXOACEBHMLL-UHFFFAOYSA-N;142.11;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286673;MM286673;NC(=O)Cc1coc(=O)o1;FWTRIFXZAQEBBR-UHFFFAOYSA-N;143.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286674;MM286674;ON=c1nnnc(O)n1O;WLVURQNIKCUSKN-UHFFFAOYSA-N;145.08;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286675;MM286675;C=C(F)Cc1coc(=O)o1;XAXWLBHMSYHCHU-UHFFFAOYSA-N;144.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286676;MM286676;CC(=O)Nc1coc(=O)o1;VLSBZLUGHVTPGY-UHFFFAOYSA-N;143.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286677;MM286677;N=C(N)Nc1coc(=O)o1;MSWYZUDMYXEGNC-UHFFFAOYSA-N;143.1;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286678;MM286678;NC(=O)Nc1coc(=O)o1;YRZVDRAPFBVQQM-UHFFFAOYSA-N;144.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286679;MM286679;C=C(C)Oc1coc(=O)o1;XJQZEVOYTXIGFD-UHFFFAOYSA-N;142.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286680;MM286680;CC(=O)Oc1coc(=O)o1;FFKSQVKKCAXFHG-UHFFFAOYSA-N;144.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286681;MM286681;NC(=O)Oc1coc(=O)o1;PKWBLIMDYZUJHA-UHFFFAOYSA-N;145.07;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286682;MM286682;C=C(C)Cc1noc(=O)o1;BWRGEDNMFPYHQH-UHFFFAOYSA-N;141.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286683;MM286683;CC(=O)Cc1noc(=O)o1;PVOXDFPLFVMTJQ-UHFFFAOYSA-N;143.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286684;MM286684;N=C(N)Cc1noc(=O)o1;GLMRHIGKZFAPDQ-UHFFFAOYSA-N;143.1;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286685;MM286685;NC(=O)Cc1noc(=O)o1;IPLUSUGAQCMILU-UHFFFAOYSA-N;144.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286686;MM286686;CC1C(O)C1C(=O)O;ZKMQEFYTOODTRC-UHFFFAOYSA-N;116.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286687;MM286687;C=C(F)Cc1noc(=O)o1;BYCABROSEBLTSF-UHFFFAOYSA-N;145.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286688;MM286688;CC#CCC=NNCCO;ORIJGZJZBBQGDT-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286689;MM286689;CC(=O)Nc1noc(=O)o1;GHAYBYZDUCILQI-UHFFFAOYSA-N;144.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286690;MM286690;NC(=O)Nc1noc(=O)o1;ORLBIHVCPGYYQD-UHFFFAOYSA-N;145.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286691;MM286691;C=C(C)Oc1noc(=O)o1;HWKNZXWYKWHUSK-UHFFFAOYSA-N;143.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286692;MM286692;CC(=O)Oc1noc(=O)o1;COLYMIJJINDXKU-UHFFFAOYSA-N;145.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286693;MM286693;NC(=O)Oc1noc(=O)o1;UPSTXLLHFYDENN-UHFFFAOYSA-N;146.06;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286694;MM286694;CC(C)=Cc1coc(=O)o1;BFFAARYWDPQLGY-UHFFFAOYSA-N;140.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286695;MM286695;CC(F)=Cc1coc(=O)o1;CSCUWIXWKVJLQS-UHFFFAOYSA-N;144.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286696;MM286696;O=c1occ(C=C(F)F)o1;XWKUMEKBWFPZMT-UHFFFAOYSA-N;148.06;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286697;MM286697;CC(C)=Cc1noc(=O)o1;LYMIXLVTMOPRLW-UHFFFAOYSA-N;141.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286698;MM286698;CC(F)=Cc1noc(=O)o1;FPBVZLCZZWJDIQ-UHFFFAOYSA-N;145.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286699;MM286699;O=c1onc(C=C(F)F)o1;KGVPMQRIDXWGCQ-UHFFFAOYSA-N;149.05;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286700;MM286700;CC1(O)CC1C(=O)O;GSNPDVFXCAIQMH-UHFFFAOYSA-N;116.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286701;MM286701;C=Cc1onc(C=O)c1O;VASVZWPDNNNUQJ-UHFFFAOYSA-N;139.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286702;MM286702;C#CC#CCC(C#N)=NO;CLXSODYYYZFDJJ-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286703;MM286703;O=C(O)C=COCCCO;VJJBDMGWSQMPFL-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286704;MM286704;CC1CC2(O)CC(N1)C2C;GMZPTMQADHZTCO-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286705;MM286705;CCC=CC=NNCCO;WDLDBMFBUKIZAD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286706;MM286706;CCC1CC2(C)CC2(C)C1;OBTUYZKNUKBBRO-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286707;MM286707;CC12CC(CN)CC1(C)C2;DTBQWRCTBPCEGU-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286708;MM286708;CCC1CC2(C)CC2(N)C1;AJQGMPXPRKYWQH-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286709;MM286709;CC12CC(CN)CC1(N)C2;JLILAEQWQVRIPE-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286710;MM286710;CC12CC(CF)CC1(N)C2;RQAIABCYYRYBCB-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286711;MM286711;CNC1CC2(C)CC2(C)C1;SZJMDVKNRONFDB-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286712;MM286712;CNC1CC2(C)CC2(N)C1;NCHRTVDQIUBNAA-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286713;MM286713;COC1CC2(C)CC2(C)C1;ZVTIDUPHZSDVHB-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286714;MM286714;COC1CC2(C)CC2(N)C1;GELJJGUYXWDVSA-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286715;MM286715;CCC1CC2(C)CC2(C)N1;PXMYPPZJAUUIED-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286716;MM286716;CC12CC(CN)NC1(C)C2;TWLKINVEOCQFPG-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286717;MM286717;CC12CC(CO)NC1(C)C2;BGFRNVDDSIEWPH-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286718;MM286718;CCC1CC2(C)CC2(C)O1;PBKYXJLNQGEYBS-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286719;MM286719;CCN1CC2(C)CC2(C)C1;FJYWDMOBPJBYEO-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286720;MM286720;CC12CC(CN)CC1(C)N2;MTNFZRGGIOEMNR-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286721;MM286721;CNC1CC2(C)NC2(C)C1;HYWBXMQDCFGEGD-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286722;MM286722;CCC1CC2(C)OC2(C)C1;GBSZCSUYMYGPIX-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286723;MM286723;CC12CC(CF)CC1(C)O2;WYLKNEWBNPIXFK-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286724;MM286724;CNC1CC2(C)OC2(C)C1;PQZSQPZFPKWNPT-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286725;MM286725;COC1CC2(C)OC2(C)C1;TXXOMNVDUYWDEN-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286726;MM286726;C=CC1CC2(C)CC2(C)C1;BRSVJVYMVFLPFD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286727;MM286727;CC12CC(C=O)CC1(C)C2;MZZJOQSJFUTNGC-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286728;MM286728;CC12CC(C#N)CC1(C)C2;QQPSFSZAEQAALQ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286729;MM286729;C=CC1CC2(C)CC2(N)C1;YPUCALAENNTFFB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286730;MM286730;CC12CC(C#N)NC1(C)C2;KUIAKVFKBQUHSP-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286731;MM286731;CC12CN(C=N)CC1(C)C2;HMOWYTRDUMPSDB-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286732;MM286732;CC12CN(C=O)CC1(C)C2;RVVCARWLLSYBGY-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286733;MM286733;CC12CN(C=N)CC1(N)C2;DZAYXHCYLKNEKC-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286734;MM286734;CC12CN(C=O)CC1(N)C2;GOWJRRRNWJZYHX-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286735;MM286735;C=NN1CC2(C)CC2(C)C1;SDXMCSQRJXNOHL-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286736;MM286736;C=NN1CC2(C)CC2(N)C1;FJORXHYNHWHGMY-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286737;MM286737;CC12CN(C=N)NC1(C)C2;NBLJACHQEVUSPX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286738;MM286738;CC12CN(C=O)NC1(C)C2;CUNUQLGIRACCGJ-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286739;MM286739;CC12CN(C=O)OC1(C)C2;NJKZPWFVAXRHLG-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286740;MM286740;CC12CN(C=N)CC1(C)N2;WXKKWDJMTIIEAP-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286741;MM286741;CC12CN(C=O)CC1(C)N2;KPQOEGOQMFIXJV-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286742;MM286742;C=NN1CC2(C)NC2(C)C1;NHDHTHDJIXHOJY-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286743;MM286743;C=CC1CC2(C)OC2(C)C1;PQGPQJSRQBECCB-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286744;MM286744;CC12CC(C#N)CC1(C)O2;PAHZYHWDRLKAOL-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286745;MM286745;CC12CN(C=N)CC1(C)O2;UBESPGMIXWPZTG-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286746;MM286746;CC12CN(C=O)CC1(C)O2;BOXARGNMCKXNRE-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286747;MM286747;C=NN1CC2(C)OC2(C)C1;BUTHKBPIBWQOKI-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286748;MM286748;C#CC1CC2(C)CC2(C)C1;CKQLPEQRYRYPNT-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286749;MM286749;C#CC1CC2(C)CC2(N)C1;PGHCGVYBEOQFLW-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286750;MM286750;C#CC1CC2(C)CC2(C)N1;LROXOWXUKVFLAO-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286751;MM286751;C#CC1CC2(N)CC2(C)N1;WEGAWARDDLCVMT-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286752;MM286752;C#CC1CC2(C)OC2(C)C1;KJJAAJFIRDRRBP-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286753;MM286753;CC1CCC2(N)C1C2(C)C;WFEGNZGBOPAMLI-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286754;MM286754;CC1(C)N2C(=N)CCC21C;IRWPOSJHDLHYDB-UHFFFAOYSA-N;138.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286755;MM286755;CC1(C)N2C(=O)CCC21C;NSRAMYYKWDQBMK-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286756;MM286756;CC1CC2(C)C(C)C2(C)C1;DEUPGDKRMYRHKD-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286757;MM286757;CN=c1[nH]c(=N)nc(F)o1;YAISPFXNIVUSNX-UHFFFAOYSA-N;144.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286758;MM286758;N=c1nc(F)oc(=NN)[nH]1;VMNRAGWSHRGXGK-UHFFFAOYSA-N;145.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286759;MM286759;C#CCC(=O)C(CF)=NO;URWPXXULNWJJCY-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286760;MM286760;NC(=O)CCC(=O)O;JDVPQXZIJDEHAN-UHFFFAOYSA-N;117.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286761;MM286761;CONC(=O)C(C)=NO;HPWHIUOBWNPDAU-UHFFFAOYSA-N;132.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286762;MM286762;N=c1nc(O)[nH]nc1O;IRBQSXXQYGUVML-UHFFFAOYSA-N;128.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286763;MM286763;C#CC1(C=C)NC1C(=O)O;AUKPCQBSLQTSDX-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286764;MM286764;NNc1cc(O)[nH]n1;VYJQIERTJPQEFR-UHFFFAOYSA-N;114.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286765;MM286765;Cn1[nH]c(F)cc1=NO;UXRWPIMXBAVNPD-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286766;MM286766;N=c1c(F)c(O)on1O;MSPAUSQLFPNRPO-UHFFFAOYSA-N;134.07;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286767;MM286767;CN=c1o[nH]c(C=O)c1F;HETQILAFESXWJP-UHFFFAOYSA-N;144.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286768;MM286768;Cn1[nH]c(O)c(F)c1=NN;BOZKISFHPHDNQG-UHFFFAOYSA-N;146.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286769;MM286769;NN=c1[nH]c(=O)nc(F)o1;HSFOBTQXMIDTKL-UHFFFAOYSA-N;146.08;-1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286770;MM286770;O=c1nc(F)oc(=NO)[nH]1;USSSKXZDNGNMJC-UHFFFAOYSA-N;147.07;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286771;MM286771;C=NOCCC(=O)O;GFIVZNZFLFVOMI-UHFFFAOYSA-N;117.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286772;MM286772;CN=c1[nH]c(N)cc(=O)o1;UUHCFCNWDJYGJU-UHFFFAOYSA-N;141.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286773;MM286773;C=NN(C=N)C(C)C(=O)O;ZZAWAEJTYZRXLK-UHFFFAOYSA-N;143.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286774;MM286774;CNN=C(CC(=O)O)NO;YZIDMHZGVKVCMW-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286775;MM286775;CN=c1nnnc(O)n1N;OEJPYTRTFMNWJH-UHFFFAOYSA-N;142.12;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286776;MM286776;O=c1nc(O)c(=O)nn[nH]1;NTZXONMHZTWJCJ-UHFFFAOYSA-N;142.07;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286777;MM286777;CC(=O)C(F)C(C)C(=O)O;GJLDSROJKBVMKM-UHFFFAOYSA-N;148.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286778;MM286778;CC(C)(CC(=O)O)OC=O;ATHSHJADBYVOIM-UHFFFAOYSA-N;146.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286779;MM286779;Nc1cc(=O)[nH]n(O)c1=O;QTONKUJJHNJBDL-UHFFFAOYSA-N;143.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286780;MM286780;CC(CC(=O)O)OCC=O;HCZCJVIJQBMGQU-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286781;MM286781;COC(CC=O)CC(=O)O;FQZVOXOLEPPYJP-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286782;MM286782;CC(=CC(=O)O)OCCO;QKCBQWPSXQGAPO-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286783;MM286783;C#Cc1conc1O;UCYLOXKWZLXDAP-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286784;MM286784;CCc1onc(O)c1O;PFXMPPVTZADLBK-UHFFFAOYSA-N;129.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286785;MM286785;Nc1co[nH]c(=O)c1=NO;JUHJLSDDKXZOCE-UHFFFAOYSA-N;143.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286786;MM286786;O=CNCCC(=O)O;MSEDDDMEHWJQEK-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286787;MM286787;C#Cc1noc(C)c1O;LOSCLSJKOWPLAA-UHFFFAOYSA-N;123.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286788;MM286788;C=CC=CC=NNCCO;PXSCAGAAEIRVLW-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286789;MM286789;CN=c1nc(F)oc(=N)[nH]1;FXWQUEFAUKWRQX-UHFFFAOYSA-N;144.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286790;MM286790;N=c1[nH]c(=NN)nc(F)o1;AYQUKTHKQCVADM-UHFFFAOYSA-N;145.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286791;MM286791;ON=C(CF)COC=CF;RZOZHPYMRYPNDJ-UHFFFAOYSA-N;151.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286792;MM286792;Nc1noc(O)n1;NSJWCGRUQOIQQH-UHFFFAOYSA-N;101.07;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286793;MM286793;CN=C1N=CC(=CO)C=N1;CXVCKYPCCSBBTC-UHFFFAOYSA-N;137.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286794;MM286794;O=CCNC=CC(=O)O;ZHLWJZSTUNCIGQ-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286795;MM286795;NN=CC(O)CC(=O)O;MZJSMPWAYRRFON-UHFFFAOYSA-N;132.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286796;MM286796;C#CC#Cc1noc(=N)[nH]1;VBNSKQLKPZGWJR-UHFFFAOYSA-N;133.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286797;MM286797;Nn1cc(F)c(=O)nc1O;KTOGREPWYGSSKH-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286798;MM286798;Cc1nnoc(=NO)c1O;BVSQNHLKWCDQOQ-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286799;MM286799;Cc1nc(=O)n(O)nc1O;DWHOQNWUVLGETB-UHFFFAOYSA-N;143.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286800;MM286800;CC(CCOC=O)C(=O)O;GLCPVCGADWLDAC-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286801;MM286801;NN=c1nc(F)oc(=O)[nH]1;CNFJPMVRTIIAER-UHFFFAOYSA-N;146.08;-1.72;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286802;MM286802;O=c1[nH]c(=NO)nc(F)o1;PBQLEAYKWSDFMI-UHFFFAOYSA-N;147.07;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286803;MM286803;Cc1cc(=NN)oc(=N)[nH]1;WOQUMPNCQJNAEC-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286804;MM286804;N=c1[nH]c(N)cc(=NN)o1;YBOWZWWVTLJDIO-UHFFFAOYSA-N;141.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286805;MM286805;COC(=NO)C(F)=C(F)F;OPQIHRHVYMWXNY-UHFFFAOYSA-N;155.08;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286806;MM286806;CC(=O)C(C)(O)CC(=O)O;QTIANNIDFNWDNY-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286807;MM286807;Cc1cc(=NN)oc(=O)[nH]1;UGDFBTKBOOKEJU-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286808;MM286808;NN=c1cc(N)[nH]c(=O)o1;ATGUJGXCFKHECQ-UHFFFAOYSA-N;142.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286809;MM286809;CC(CC(O)C=O)C(=O)O;FRRBDTJNMRCPNG-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286810;MM286810;N#CC(C#CC(F)F)=NO;PGMPJZRHTREXNY-UHFFFAOYSA-N;144.08;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286811;MM286811;CC(C(=O)O)C(=CF)CO;SLHWTKPEOMXGMK-UHFFFAOYSA-N;148.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286812;MM286812;COC(=CC(=O)O)CCO;RUKBZMQXLNLXDE-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286813;MM286813;C#CCc1nnn[nH]1;RQMUHCCQANXDKX-UHFFFAOYSA-N;108.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286814;MM286814;N#CC#CC(F)C=NO;BDTJOMZCPUNIEM-UHFFFAOYSA-N;126.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286815;MM286815;CCc1cc(C)cc(=O)o1;OOJGOOZLZPDSGU-UHFFFAOYSA-N;138.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286816;MM286816;Cc1cc(CN)oc(=O)c1;CIAKNZNSJFJJAO-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286817;MM286817;Cc1cc(CF)oc(=O)c1;PCFQURWCUWIABL-UHFFFAOYSA-N;142.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286818;MM286818;CN=c1cc(C)[nH]c(=N)o1;RIYDXLLDYTWWAZ-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286819;MM286819;CN=c1cc(C)[nH]c(=O)o1;UYGKAOBCMCHIJW-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286820;MM286820;Cc1cc(=O)oc(CO)n1;QIAOSVCNZQOBIB-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286821;MM286821;Cc1cc(=O)oc(CF)n1;YGZZKMWILUWGFB-UHFFFAOYSA-N;143.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286822;MM286822;COc1nc(C)cc(=O)o1;DMOWKANUWSUYPD-UHFFFAOYSA-N;141.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286823;MM286823;Cc1nc(CF)oc(=N)n1;YTNRXZKKIIGGEZ-UHFFFAOYSA-N;143.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286824;MM286824;Cc1nc(CF)oc(=O)n1;MFMSSZFESVFSNT-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286825;MM286825;Cc1cc(=O)cc(CO)o1;MFJUYEZNIVTQBL-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286826;MM286826;Cc1cc(=O)cc(CF)o1;UBDYYYYUGOWERQ-UHFFFAOYSA-N;142.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286827;MM286827;NN=CN=c1[nH]c(=O)[nH]o1;FHQPEUFLUAMBSO-UHFFFAOYSA-N;143.11;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286828;MM286828;CN=CN=c1[nH]c(=O)[nH]o1;IQKFZYSTIIFGME-UHFFFAOYSA-N;142.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286829;MM286829;COc1cc(=O)cc(C)o1;SGHBBBQKUYEJPS-UHFFFAOYSA-N;140.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286830;MM286830;C=CCCC(=NN)C(=O)O;VBBDLWOKAVXRPZ-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286831;MM286831;CCc1cc(=N)nc(C)o1;IGQCQYRZCUCYJN-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286832;MM286832;Cc1nc(=N)cc(CN)o1;RSVMYXBMDCWMMO-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286833;MM286833;C#CC=CC=NNCCO;RBQDPNSRWBVSQC-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286834;MM286834;Cc1nc(=N)cc(CF)o1;MMDGKJFQEQMOJB-UHFFFAOYSA-N;142.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286835;MM286835;Cc1nc(=O)cc(CF)o1;UALAJKZPTWDBIX-UHFFFAOYSA-N;143.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286836;MM286836;N=CN=c1[nH]c(=O)[nH]o1;QKTMJJUYBAZYSS-UHFFFAOYSA-N;128.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286837;MM286837;CNc1cc(=O)nc(C)o1;YZCULPFUKXOGJF-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286838;MM286838;CNc1cc(=O)nc(N)o1;JNRQGGRYCDSXMO-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286839;MM286839;N#CC(O)C(C=CF)=NO;RMAHTIFQHDHXOG-UHFFFAOYSA-N;144.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286840;MM286840;COc1cc(=N)nc(C)o1;XEAZXYOWNBVEFF-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286841;MM286841;COc1cc(=O)nc(C)o1;FFNAFLCNXWIWQZ-UHFFFAOYSA-N;141.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286842;MM286842;COc1cc(=O)nc(N)o1;RFMOXNFSXSGECH-UHFFFAOYSA-N;142.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286843;MM286843;Nc1n[nH]c(F)c1O;CHMUZYRDEIJYRE-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286844;MM286844;NN=c1[nH]n(O)c(=O)o1;QPDMEKBLQDCELG-UHFFFAOYSA-N;132.08;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286845;MM286845;CCc1nc(=N)cc(C)o1;YHEUJDWWKYNZSS-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286846;MM286846;C=CC#CC=NNCCO;WHEFWUPTCCSYBM-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286847;MM286847;Cc1cc(=N)nc(CF)o1;DZZGQQXBRPADON-UHFFFAOYSA-N;142.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286848;MM286848;Cc1cc(=O)nc(CO)o1;LYCXSGYHQLAWOW-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286849;MM286849;Cc1cc(=O)nc(CF)o1;SRQDBHYCYYOAHX-UHFFFAOYSA-N;143.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286850;MM286850;Nc1cc(=O)nc(CO)o1;JOPLRHICPDWQKJ-UHFFFAOYSA-N;142.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286851;MM286851;Nc1cc(=O)nc(CF)o1;PZYPQHBFHNQTPZ-UHFFFAOYSA-N;144.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286852;MM286852;CCC=CN=C(N)C(=O)O;WNERQQNUTMVWHU-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286853;MM286853;C=Nn1[nH]cc(C#N)c1=N;UUNNXMNXLGBULE-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286854;MM286854;N=CN(C=O)CCC(=O)O;OLSGUCRJXYYZQR-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286855;MM286855;CNc1nc(=O)cc(C)o1;YYTYKNXUTXHOHI-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286856;MM286856;CNc1nc(=O)cc(N)o1;PVMRHSIXJQMXBY-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286857;MM286857;COc1nc(=N)cc(C)o1;COEKGTWRDDLYMW-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286858;MM286858;COc1nc(=O)cc(C)o1;WZJPFPIGZSXSEE-UHFFFAOYSA-N;141.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286859;MM286859;COc1nc(=O)cc(N)o1;FSRIZYXVLQEUOO-UHFFFAOYSA-N;142.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286860;MM286860;C=NNCC(=O)O;FRZSASGYMVRILJ-UHFFFAOYSA-N;102.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286861;MM286861;COC(CC(=O)O)=C(C)F;QJRSRBDXIDROGW-UHFFFAOYSA-N;148.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286862;MM286862;C#CC#CC=NNCCO;IULGSCHCSKGQEE-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286863;MM286863;Cc1nc(=N)nc(CF)o1;BSDQYMXIXBNWTA-UHFFFAOYSA-N;143.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286864;MM286864;N#CC(C#N)C(=N)N1CC1;YACHSVMDLQONNE-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286865;MM286865;COc1nc(=N)nc(C)o1;RUXADROEHDKWQP-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286866;MM286866;COc1nc(=O)nc(C)o1;AFNNAYVBVLDVGB-UHFFFAOYSA-N;142.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286867;MM286867;CN(C=O)NCCO;BMYVDBFVHBGYMR-UHFFFAOYSA-N;118.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286868;MM286868;CC=COC(C)C(=O)O;DIZUNAYUNDCICB-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286869;MM286869;Cc1cc(=O)cc(C=O)o1;HMONPSMNKSVPIC-UHFFFAOYSA-N;138.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286870;MM286870;C#CC(CC(=O)O)OC=C;KFBBOZROBQCITJ-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286871;MM286871;Cc1nc(=N)cc(C=O)o1;SPQCRNCMTOUGAM-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286872;MM286872;Cc1nc(=O)cc(C=O)o1;HQXPZNOAEDELNE-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286873;MM286873;C#CCOC=CCC(=O)O;WBMYFOHNYZSIRW-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286874;MM286874;C=Cc1nc(=N)cc(C)o1;CGJXKNBUUZHIQA-UHFFFAOYSA-N;136.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286875;MM286875;Cc1cc(=N)nc(C=O)o1;CVRMUKXFIXIWRS-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286876;MM286876;Cc1cc(=O)nc(C=O)o1;USBGXZUCSXIDLL-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286877;MM286877;Nc1cc(=O)nc(C=O)o1;RYMYCZIJYIHGAP-UHFFFAOYSA-N;140.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286878;MM286878;C=CCOC(C)C(=O)O;NYNJMVZFPBGZPU-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286879;MM286879;O=CCC=NOC=O;PABQMWPZJWSTHV-UHFFFAOYSA-N;115.09;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286880;MM286880;CC1(C)CC1(C)CC1CC1;CAMDSTULJCXUTG-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286881;MM286881;CC1(C)CC1(C)OC1CC1;FVXNLKNAZDKSHZ-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286882;MM286882;CC1(C)CC1(C)CC1CO1;ZNSGREJOZRNDMT-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286883;MM286883;CC(O)CC(F)C=NN;FXKWULVJXBECLF-UHFFFAOYSA-N;134.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286884;MM286884;CC12CC3(F)CC3C1(C)C2;MMKRWZRVTWZKIZ-UHFFFAOYSA-N;140.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286885;MM286885;CC12CC1C1(N)CC1(C)C2;WTDGEDVQBLETQM-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286886;MM286886;CC12CC3(N)CC3C1(C)N2;DATOXMNXDQBMCP-UHFFFAOYSA-N;138.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286887;MM286887;CC12CC1C1(C)OC1(C)C2;OWXNTRSFVIRFCR-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286888;MM286888;CC12CC3(N)CC3C1(C)O2;ZERVREWANRNQTQ-UHFFFAOYSA-N;139.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286889;MM286889;CC12CC3(C)OC3(C)C1O2;XGRFAZGJAGHXJQ-UHFFFAOYSA-N;140.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286890;MM286890;CC(N)CCCCCCN;ADWMBDUGYBDVAS-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286891;MM286891;CC(N)CCCCCCO;FXKGKWBZPTUJNT-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286892;MM286892;CC(N)CCCCCCF;VNVLYLAXAWHRID-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286893;MM286893;NCCCCCCC(F)F;GBNWEGGJDOQKPR-UHFFFAOYSA-N;151.2;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286894;MM286894;CNCCCCCC(C)O;WLBBEQYXWLWOFD-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286895;MM286895;CNCCCCCC(C)F;LXXCQFCSOZHWLX-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286896;MM286896;CNCCCCCC(F)F;HWCRIRQGIAVWRQ-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286897;MM286897;CCNCCCCC(C)N;NOFDKHXIEWANDG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286898;MM286898;CCNCCCCC(C)O;HOFAEATWDOZTLC-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286899;MM286899;CCNCCCCC(F)F;DBFIBICNZQQSOG-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286900;MM286900;CC(C)CCCNCCN;GTIIGJVCJJXECH-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286901;MM286901;CC(C)CCCNCCO;KBRWJFQKWZQSEO-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286902;MM286902;CCCNCCCC(C)N;RQCOEGQWTCGAIR-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286903;MM286903;CC(N)CCCNCCO;ULBRJNYYXCYORC-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286904;MM286904;CCCNCCCC(F)F;FEJJRKANPHCUCU-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286905;MM286905;NCCNCCCC(F)F;MMRAYBXKLMUSDG-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286906;MM286906;CCCOCCCC(C)C;RBJLPVRKYNTSEA-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286907;MM286907;CCCOCCCC(C)N;YXZQWMBNHYLZDP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286908;MM286908;CC(N)CCCOCCF;KXQXKLOLTMXEIW-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286909;MM286909;COCOCCCC(F)F;QGZRTONHWKIRBF-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286910;MM286910;CCCCNCCC(F)F;KGNSPGUZINGWGM-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286911;MM286911;CNCCNCCC(C)C;VNINTQBPGOGJSG-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286912;MM286912;CNCCNCCC(C)N;RQVNRHXTNQYUOP-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286913;MM286913;CNCCNCCC(F)F;XZHIMWVSEYOMRI-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286914;MM286914;CC(O)CCOCCCO;FEZFCFSKQRKZLK-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286915;MM286915;OCCCOCCC(F)F;WSDSRJKMCPHWFI-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286916;MM286916;COCCOCCC(C)O;PTDCRPLXKGAZME-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286917;MM286917;CCOCOCCC(F)F;PYMJUVJKNHPPKU-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286918;MM286918;CC(C)CNCCCCF;QLEHACNIZWYLAB-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286919;MM286919;CCCCCNCC(C)N;FILPDSRPIOLSCJ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286920;MM286920;CC(N)CNCCCCF;SCUUKLWGGBGZLC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286921;MM286921;CC(F)CNCCCCF;FAFWXCBLTNVMDY-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286922;MM286922;CNCCCNCC(C)C;ITEGMRUTOOUZHK-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286923;MM286923;CNCCCNCC(C)F;PCGUQHHUBVCBBU-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286924;MM286924;CNCCCNCC(F)F;VHUBVROMOKFPSF-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286925;MM286925;CCNCCNCC(C)C;VVXNAKDFMXLJTC-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286926;MM286926;CCNCCNCC(F)F;WQYIMYPQVQXFTO-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286927;MM286927;CC(N)COCCCCO;AHPTYWUBJKREBT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286928;MM286928;CC(O)COCCCCO;GKRIPELSIZJBOI-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286929;MM286929;NCCCCOCC(F)F;UQPOLYCXHKNSOS-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286930;MM286930;COCCCOCC(C)O;APLHHEQRKBZONJ-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286931;MM286931;CC(O)COCOCCO;OYOBMDGTLVXGSW-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286932;MM286932;CC(F)COCOCCF;VVDWRKWQDGPLQK-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286933;MM286933;NCCOCOCC(F)F;GASQXWQRIRWTPU-UHFFFAOYSA-N;155.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286934;MM286934;COCOCOCC(C)C;LMRQYJFMGXSHFU-UHFFFAOYSA-N;148.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286935;MM286935;COCOCOCC(C)N;VQHUFVUZZVINMM-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286936;MM286936;COCOCOCC(C)O;PDXWSEFJKQBWEC-UHFFFAOYSA-N;150.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286937;MM286937;CNCCCCNC(C)C;ZHJPVOJIWUIHAV-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286938;MM286938;CCNCCCNC(C)C;RZJOWYYRVMKCDF-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286939;MM286939;CCCNCCNC(C)C;SFMFETJWUJVYSS-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286940;MM286940;CC(C)NCCOCCN;FRKZWCMEYFKGNM-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286941;MM286941;COCOCCNC(C)C;MZNGDTOYRRHICG-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286942;MM286942;COCOCCOC(C)C;BBHCHJZFJVANIF-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286943;MM286943;CN(C)CCCOCCN;AZFISYYFLQRUFX-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286944;MM286944;COCCNCCN(C)C;TZRNYRIMGKPMCF-UHFFFAOYSA-N;146.23;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286945;MM286945;CN(C)CCOCCCN;SCRPVVLMUUQILK-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286946;MM286946;COCCOCCN(C)C;QMLHYLGVIZZSLC-UHFFFAOYSA-N;147.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286947;MM286947;C=CCCCCCC(C)C;DMFDIYIYBVPKNT-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286948;MM286948;CC(C)CCCCCC=O;JRPPVSMCCSLJPL-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286949;MM286949;CC(C)CCCCCC#N;DQEFWXWJTWMWEK-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286950;MM286950;CON=C(C)CC(C)O;NCLVPEBJYHOIRC-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286951;MM286951;CC(N)CCCCNC=N;WFHQIMXYTCXLSZ-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286952;MM286952;CC(O)CCCCNC=N;JGMPQHNLSWHHOY-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286953;MM286953;CCC(CC(C)O)=NN;GPSQJXGTZYKXAK-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286954;MM286954;N#CC(=N)NNCCO;OFZNBZWENRRWQM-UHFFFAOYSA-N;128.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286955;MM286955;C=CCNCCCC(C)N;IGWAKFBFSCUDDB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286956;MM286956;NC(C=O)=NC=CCO;CIPGIYFBOMNWGW-UHFFFAOYSA-N;128.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286957;MM286957;CC(F)CCCNCC=O;RSUZFRWGMAPZNT-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286958;MM286958;COC1CN(C=N)C1=O;LEPOZNWQLLORGG-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286959;MM286959;CC(N)CCCNNC=O;JCWMUQODKZWNIO-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286960;MM286960;CC(O)CCCNNC=N;ADKSNJDITVNROV-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286961;MM286961;CC(F)CCCNNC=N;VMQQXJJJLHMGQJ-UHFFFAOYSA-N;147.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286962;MM286962;N=CNNCCCC(F)F;YCUTZCFGZSQKNB-UHFFFAOYSA-N;151.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286963;MM286963;CCN(C=O)NCCO;VNFKJGKNOZCTNR-UHFFFAOYSA-N;132.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286964;MM286964;C=CCOCCCC(C)O;YUKZHCLFLZUPCM-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286965;MM286965;CC(O)CCCOCC#N;HJULHQBDQWSTQJ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286966;MM286966;N#CCOCCCC(F)F;HLWANXXTANTSNH-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286967;MM286967;CC(O)CCCONC=O;JESPXHBIUGEBLN-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286968;MM286968;C=CCCNCCC(C)O;UDUSXKTUJBYWAE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286969;MM286969;CC(O)CCNCCC=O;DZRMVWKCHIYWKK-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286970;MM286970;CC(F)CCNCCC=O;CSPFPQCVOLBQCX-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286971;MM286971;C=CCCNCCC(F)F;UHDQPSXHQBKYNF-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286972;MM286972;CC(O)CCOCCC#N;HIKKHRRWQOQGKP-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286973;MM286973;O=CCCOCCC(F)F;NGUSATCETRWNAC-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286974;MM286974;N#CCCOCCC(F)F;JWYMYYWIAAFBDK-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286975;MM286975;C=COCOCCC(F)F;PVEPYKGXWLWGOS-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286976;MM286976;O=COCOCCC(F)F;XFOJLIOCPQZLKI-UHFFFAOYSA-N;154.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286977;MM286977;C=NOCOCCC(F)F;IFCMLNKBSJCCLT-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286978;MM286978;CC(C)CNCCCC#N;MEMYCVIKKVOYTH-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286979;MM286979;C=CCCCNCC(C)N;JSPNSVPYCHNQIJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286980;MM286980;CC(O)CNCCCC#N;ZKXQGKSYBWXJBV-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286981;MM286981;CC(F)CNCCCC=O;NCOUIHBXKHYJPJ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286982;MM286982;CC(C)CNCCNC=N;BGZQOJGEYMTHBR-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286983;MM286983;C=COCCNCC(C)O;PTSAOMYNCYBQDD-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286984;MM286984;CC(N)COCCNC=N;BAACVZMRIWXHCM-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286985;MM286985;CC(F)COCCNC=O;MLYTUUMCUVUDSO-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286986;MM286986;C=NNCCOCC(C)C;FFTDVFABYARMRU-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286987;MM286987;C=CN(C=O)NCCO;YFCKKDVYQDPBHJ-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286988;MM286988;CC(O)COCCOC=O;HJAQARIUKFMVJU-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286989;MM286989;CC(O)COCOCC#N;JKSZQTALEUJUPQ-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286990;MM286990;O=CCOCOCC(F)F;HNYVIZGFERICGC-UHFFFAOYSA-N;154.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286991;MM286991;CC(N)COCONC=N;FQJHGEHSKZACDE-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286992;MM286992;CC(N)COCONC=O;ZRQKFCBHJUAYKX-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286993;MM286993;CC(O)COCONC=N;YTABTOLJWVJVPN-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286994;MM286994;CC(O)COCONC=O;GSCDXJXTOCZJQX-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286995;MM286995;CC(F)COCONC=N;QTUSXFFTADHYRB-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286996;MM286996;CC(F)COCONC=O;SBMBOZFGUSWKDL-UHFFFAOYSA-N;151.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286997;MM286997;N=CNOCOCC(F)F;VHRQKWDGJVWGST-UHFFFAOYSA-N;154.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286998;MM286998;O=CNOCOCC(F)F;XLGIJHDMJIXKCU-UHFFFAOYSA-N;155.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM286999;MM286999;CC(C)NCCCNC=N;VGRUVEQTCXZRHH-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287000;MM287000;CC(C)NCCCOC=O;YOZPOZWQBRQFDW-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287001;MM287001;C=CCOCCNC(C)C;CQBHYZRKRADSCS-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287002;MM287002;CC(C)NCCONC=O;OKQYWUMHFAQVHX-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287003;MM287003;C=CCCCCOC(C)C;SUSIILHLATVSKV-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287004;MM287004;CC(C)OCCCCC#N;XWNPQNVCKWLTJL-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287005;MM287005;CC(C)OCCCNC=N;GSNDPUWRRUWNII-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287006;MM287006;C=NNCCCOC(C)C;DMJPTIHWYPEUMD-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287007;MM287007;O=CN(C=O)NCCO;SATGETCLSTVIGA-UHFFFAOYSA-N;132.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287008;MM287008;CC(C)OCCOCC#N;MKQBRMPWQBXVIE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287009;MM287009;CC(C)OCOCCC#N;LXNONEPHQRSTEY-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287010;MM287010;C=COCOCOC(C)C;SSAJQHHSTOLAJU-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287011;MM287011;C=CCCCCCN(C)C;XCRTXHZHGLODRB-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287012;MM287012;CN(C)CCCCCC#N;UDLYSJSZAHGMBO-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287013;MM287013;C=NNCCCCN(C)C;VLHVCXIFFINVMD-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287014;MM287014;CN(C)CCCNCC=O;JQLQXBWSNFIABV-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287015;MM287015;CN(C)CCCONC=O;VDKZUWMNXFKZPL-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287016;MM287016;CN(C)CCOCOC=O;GDFPPMGDQADRIP-UHFFFAOYSA-N;147.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287017;MM287017;C#CCNCCCC(C)F;KJOWBEWHWABAMK-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287018;MM287018;C#CCNCCCC(F)F;OGGWEBXVIZMQAQ-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287019;MM287019;C#CCOCCCC(C)C;JXFZZAZRNHJGSX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287020;MM287020;C#CCOCCCC(C)N;ZLUNPADJELFFCQ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287021;MM287021;C#CCOCCCC(C)O;GIMRTZTZHZCXQX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287022;MM287022;C#CCCNCCC(C)C;YPSVYZUNSIEEQW-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287023;MM287023;C#CCCNCCC(F)F;DDBLAEQORAXQPD-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287024;MM287024;C#CCCOCCC(C)O;BSIVAGANFKADPS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287025;MM287025;C#CCCCNCC(C)C;VUKGEBPCCNLRGM-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287026;MM287026;C#CCOCOCC(C)N;HZARDNUJXCESQU-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287027;MM287027;C#CCOCOCC(C)F;BRJILPBKVFILGP-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287028;MM287028;C#CCCCCOC(C)C;BYBMFAJJDKYFDE-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287029;MM287029;C#CCCCCCN(C)C;FYIPPJAQMYAMEM-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287030;MM287030;C#CCOCCCN(C)C;RUVGGBPYEVSTMS-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287031;MM287031;C#CCCOCCN(C)C;YEWYHJRDVBXTEO-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287032;MM287032;N=C(N)CCCCCCF;BEIFXPGPTVAQLL-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287033;MM287033;CC#CC(O)C(C)C(=O)O;ZUIWHHWDTGDNIV-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287034;MM287034;O=C(O)CCCCCCF;HCWNGLSFAHYVNL-UHFFFAOYSA-N;148.18;1.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287035;MM287035;C=C(C)CCCCCNC;GBORUOTYOYRATE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287036;MM287036;CNCCCCCC(N)=O;ACSBWMJRTPCPOB-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287037;MM287037;C=C(C)CCCCNCC;XZPAQDOJOHHFKL-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287038;MM287038;CCNCCCCC(N)=O;ZMKWDRCUUZJUDD-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287039;MM287039;C=C(C)CCCCOCC;MFUYDOIEVQSIRG-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287040;MM287040;C=C(C)CCCNCCC;GJEAVEKVXOSRPP-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287041;MM287041;C=C(C)CCCNCCF;YDEJFUGJPMOPEO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287042;MM287042;CC(=O)CCCNCCO;RBPMYDYCAAAPGO-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287043;MM287043;N=C(N)CCCNCCF;NNSZZFDEBXRATF-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287044;MM287044;CCCNCCCC(N)=O;ISQNGOCFXMZNBP-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287045;MM287045;CC(=O)CCCOCCO;GYNVDXAXUOFHLS-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287046;MM287046;C=C(F)CCCOCOC;JPIJGTCMLZNIAH-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287047;MM287047;C=C(C)CCNCCCC;OEXNKTPIBFOVCQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287048;MM287048;CC(=O)CCNCCCF;KGSHDINXUIFYIC-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287049;MM287049;N=C(N)CCNCCCF;GQOYTSFEJAZYJJ-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287050;MM287050;NC(=O)CCNCCCF;ZGHRROZRKCXZTN-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287051;MM287051;C=C(F)CCNCCCF;DTFTXLDNSYDALB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287052;MM287052;C=C(C)CCNCCOC;VBONQDOMFPGRRQ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287053;MM287053;COCCNCCC(C)=O;JNONXFJCISQFDK-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287054;MM287054;C=C(C)CCOCCCN;XGSZOWKPOBUGCS-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287055;MM287055;CC(=O)CCOCCCO;OZDKQXYZDSKQTO-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287056;MM287056;NC(=O)CCOCCCF;DEGABEXNNOPRGB-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287057;MM287057;CNCCOCCC(C)=O;BJWARIGKFGMXPJ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287058;MM287058;COCCOCCC(N)=O;MPHZJACEKQEXPX-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287059;MM287059;C=C(F)CCOCCOC;PMHYQHFBVXRDEU-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287060;MM287060;CCOCOCCC(N)=O;ASLQVFDJSJOVCW-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287061;MM287061;C=C(F)CCOCOCC;WRRUBMAOOGXWGS-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287062;MM287062;C=C(C)CNCCCCC;ZEVFNYYPFPHAPA-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287063;MM287063;CC(=O)CNCCCCF;DMMZAMUNHFPFPL-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287064;MM287064;N=C(N)CNCCCCF;QRYSXZQCVMFKAA-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287065;MM287065;C=C(C)CNCCCNC;DGNZPXDJHWWFDJ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287066;MM287066;C=C(C)CNCCCOC;GBTIXGSNILEFBW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287067;MM287067;COCCCNCC(C)=O;MIGMMOJWLMIWRR-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287068;MM287068;C=C(C)CNCCNCC;UEFPMADUNGHHKG-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287069;MM287069;C=C(C)CNCCOCC;HKINEAOVTWICNO-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287070;MM287070;O=C(O)C=CC(O)CF;RJQBQTZXFNXTFV-UHFFFAOYSA-N;134.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287071;MM287071;CCNCCOCC(N)=O;RHKZIVXWYXYQTC-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287072;MM287072;CCOCCOCC(=N)N;IJJCSUDJEJJJFT-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287073;MM287073;CCOCCOCC(N)=O;NHCPQLWQFVVDHX-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287074;MM287074;CC(=O)COCOCCF;BXUIBXVWZUYTHW-UHFFFAOYSA-N;150.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287075;MM287075;CCCOCOCC(=N)N;UFRQZJPBZRSWSB-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287076;MM287076;N=C(N)COCOCCO;ICPKXISWKIPLPQ-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287077;MM287077;NC(=O)COCOCCO;HOBFEAVHBUQZMQ-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287078;MM287078;C=C(F)COCOCCN;VBNXZZSGLHNVSR-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287079;MM287079;COCOCOCC(=N)N;QXURRKUTZDNZRD-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287080;MM287080;COCOCOCC(N)=O;GTOOJITXCMGALB-UHFFFAOYSA-N;149.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287081;MM287081;O=CC(=NO)C(O)C=O;WJIZVQHNJNFJCN-UHFFFAOYSA-N;131.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287082;MM287082;C=C(F)COCOCOC;LCMFXXRDMLLAOE-UHFFFAOYSA-N;150.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287083;MM287083;CC(=N)NCCCCCF;PRBRRFWAQDRMDS-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287084;MM287084;C=NNC=NC=CCO;LZDFYBXSGKGXIZ-UHFFFAOYSA-N;127.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287085;MM287085;CC(=O)NCCCCCN;RMOIHHAKNOFHOE-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287086;MM287086;CC(=O)NCCCCCF;KEVHRNVRFNXBGB-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287087;MM287087;CCCCCCNC(=N)N;BVLXQZKQUIRWEI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287088;MM287088;N=C(N)NCCCCCN;XJHFHPPZQVRVHD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287089;MM287089;N=C(N)NCCCCCF;ZKJGEUUVNQTPIN-UHFFFAOYSA-N;147.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287090;MM287090;CCCCCCNC(N)=O;JUVJQIPDVWOVNP-UHFFFAOYSA-N;144.22;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287091;MM287091;CNCCCCNC(C)=O;KEPBQVXBLDWTSJ-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287092;MM287092;COCCCCNC(=N)N;OUVNWJPTCJZGAS-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287093;MM287093;COCCCCNC(N)=O;VRXUJBDPFYDKTR-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287094;MM287094;CCOCCCNC(C)=N;KEZQJWVRYQJZGV-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287095;MM287095;CNC(=O)C=CCC(C)=O;NZZIWXUPKYHMQU-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287096;MM287096;CCCNCCNC(=N)N;MAWICEATCJLUIC-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287097;MM287097;CCCNCCNC(N)=O;AECBPUJWSVYNGL-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287098;MM287098;CC(=N)NCCOCCN;UZSNKAWAWUORRR-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287099;MM287099;N=C(N)NCCOCCN;QRTNZNJURHRFEK-UHFFFAOYSA-N;146.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287100;MM287100;COCOCCNC(C)=N;ZGLPIDAZMUYCED-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287101;MM287101;CCCCCNNC(C)=N;MUXQXRCVYKXFKR-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287102;MM287102;CN(CCO)NC(=N)C#N;AQXNWIXAUHIDJO-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287103;MM287103;C=C(F)CC(=O)N(N)C=O;FHDYFOKHWAUBGK-UHFFFAOYSA-N;146.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287104;MM287104;CNCCCNNC(C)=N;ZQMZMOIHHIGAJG-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287105;MM287105;CCCCCONC(=N)N;QKHOXXDHBQPHBF-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287106;MM287106;CCCCCONC(N)=O;STIFIHNRLOAODG-UHFFFAOYSA-N;146.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287107;MM287107;COCCCONC(C)=O;KNYITZWQTOIPSF-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287108;MM287108;CCNCCONC(C)=N;QDARQFFJMZDJCJ-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287109;MM287109;CCOCCONC(C)=N;CEKSSIFFKOODOW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287110;MM287110;CCOCCONC(=N)N;RJSFCRPHZCFCNJ-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287111;MM287111;N=C(N)NOCOCCO;WJSPOLNLFXQNBR-UHFFFAOYSA-N;149.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287112;MM287112;NC(=O)NOCOCCO;KMELFSXZSGTBIL-UHFFFAOYSA-N;150.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287113;MM287113;NC(=O)NOCOCCF;TYEBSMKYSXOWGV-UHFFFAOYSA-N;152.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287114;MM287114;CC(=O)OCCCCCF;USQREYPFHSTYFL-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287115;MM287115;N=C(N)OCCCCCN;IRZJPWDMMRUIBE-UHFFFAOYSA-N;145.21;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287116;MM287116;N=C(N)OCCCCCO;HAIHUAXUSBSMLC-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287117;MM287117;CCCCCCOC(N)=O;ROASJEHPZNKHOF-UHFFFAOYSA-N;145.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287118;MM287118;NC(=O)OCCCCCO;REGOQXFAFQTHLW-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287119;MM287119;C=C(C)OCCCCNC;OFHWEUZQDOUXRJ-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287120;MM287120;CNCCCCOC(=N)N;NLVVWFKTOZBIOL-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287121;MM287121;CNCCCCOC(N)=O;YDOWBRDELGCCQT-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287122;MM287122;COCCCCOC(=N)N;KVNMOASNSDJDRX-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287123;MM287123;C=C(C)OCCCNCC;ZBBPDOWITQHRDN-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287124;MM287124;CCNCCCOC(=N)N;DBUAATQPNCJFEW-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287125;MM287125;CCNCCCOC(N)=O;IEBZWXIEALXFRH-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287126;MM287126;C=C(C)OCCNCCC;FMBBRIJNXCLQJD-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287127;MM287127;CC(=O)OCCNCCO;RMOPCJOZHHOQFT-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287128;MM287128;CCCNCCOC(=N)N;RQMGLENLIZQBME-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287129;MM287129;N=C(N)OCCNCCN;YJGRBJXTRBNVDH-UHFFFAOYSA-N;146.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287130;MM287130;CCCNCCOC(N)=O;GMBUAQGVPLUOPR-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287131;MM287131;C=C(C)OCCOCCN;FMMUTEZBCSZBEN-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287132;MM287132;C=C(C)OCCOCCO;ILBHYXRNIYHFTG-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287133;MM287133;CCCOCCOC(C)=O;QMAQLCVJIYANPZ-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287134;MM287134;CC(=O)OCCOCCO;XXXFZKQPYACQLD-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287135;MM287135;N=C(N)OCCOCCO;WZZPROVJCRKHRL-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287136;MM287136;CCCOCCOC(N)=O;GLRSFSJGWOZGTD-UHFFFAOYSA-N;147.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287137;MM287137;COCOCCOC(=N)N;LFCXPOPUBJARNH-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287138;MM287138;C=C(C)OCOCCCN;WKJHXUGMASOZBV-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287139;MM287139;CCCCOCOC(C)=O;VXANATZLMNZGEV-UHFFFAOYSA-N;146.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287140;MM287140;CC(=O)OCOCCCO;UNDLATRSUVWHQN-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287141;MM287141;N=C(N)OCOCCCN;MTRFPIWRKUOOOV-UHFFFAOYSA-N;147.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287142;MM287142;N=C(N)OCOCCCO;GUEMEYUTLLZIDK-UHFFFAOYSA-N;148.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287143;MM287143;NC(=O)OCOCCCO;OJMLMCXWJWPLHC-UHFFFAOYSA-N;149.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287144;MM287144;CNCCOCOC(C)=O;ULLFJBADIWCLFK-UHFFFAOYSA-N;147.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287145;MM287145;CNCCOCOC(=N)N;MFOMHEXSNUSBAR-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287146;MM287146;C=C(C)OCOCCOC;BEJVAKJWTGFTIW-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287147;MM287147;COCCOCOC(=N)N;GXRIZFVHWJPTGM-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287148;MM287148;CCOCOCOC(=N)N;IWBDQHUIPONATI-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287149;MM287149;CCOCOCOC(N)=O;XSLBRWRMKUHHRQ-UHFFFAOYSA-N;149.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287150;MM287150;C=CCCCCCC(=C)C;LNFYWLQTGUDMFZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287151;MM287151;C=C(C)CCCCCC=O;JZBOTDPQIBLPGC-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287152;MM287152;C=C(C)CCCCCC#N;LJODDWICEVUFQX-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287153;MM287153;CC(=O)CCCCCC#N;LKRWQISQFSUCGU-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287154;MM287154;C=CCCCCCC(=N)N;ORQKHQWTGPGJNE-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287155;MM287155;N=C(N)CCCCCC=O;MOSVQGUAKUWDFR-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287156;MM287156;N#CCCCCCC(=N)N;JKVDFVLYZYYBCQ-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287157;MM287157;CC(O)CC(N)=C(F)C#N;VXWUYBPGLJQWDO-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287158;MM287158;N#CCCCCCC(N)=O;MLILJPBNPPVVSA-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287159;MM287159;C=NNCCCCC(=C)C;DIJIYEUFISKUSP-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287160;MM287160;CC(O)CC(CCF)=NN;NKBAPEHVUFFRGR-UHFFFAOYSA-N;148.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287161;MM287161;C=COCCCCC(=C)C;JWHRPMHHMKKPAR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287162;MM287162;N=C(N)CCCCOC=O;FDNUOJXSEDNDKQ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287163;MM287163;NC(=O)CCCCOC=O;RQUYQCDLMLLJRF-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287164;MM287164;C=NOCCCCC(=N)N;GUIDTIHPPYYCCE-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287165;MM287165;C=C(C)CCCNCC=O;KUAHDAZCMFFSFS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287166;MM287166;C=C(C)CCCNCC#N;CODFDTPQOLXGDV-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287167;MM287167;C=CCC(CC(C)O)=NN;JETFKJIFPSJSRX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287168;MM287168;C=CCNCCCC(=N)N;NLRZFNRODYTEKR-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287169;MM287169;C=CCNCCCC(N)=O;NWVCVALAXSDGNY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287170;MM287170;CCC(CC(C)O)=NOC;NHBGNENWFWEXOJ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287171;MM287171;CC(O)CC(=NN)C(C)C;VDWNTCVOLMSGQQ-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287172;MM287172;C=CCOCCCC(C)=O;UKPLSCZIBFJIBF-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287173;MM287173;C=CCOCCCC(=N)N;FALCOMIXYZDGSO-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287174;MM287174;N#CCOCCCC(=N)N;LIBMCFQHKAEHPH-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287175;MM287175;CC=NOCOCC(N)=O;FGCBAMDHOJPNIK-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287176;MM287176;C=CCCNCCC(=C)C;MXZKALJYSSTAAR-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287177;MM287177;C=CCCNCCC(=N)N;RJDFSRCACVDDIJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287178;MM287178;C=CCCNCCC(N)=O;PHQMCILEXQCICO-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287179;MM287179;C=CCCNCCC(=C)F;SSCCFHOPYWQWNC-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287180;MM287180;C=C(F)CCNCCC=O;AJCVAQJCZIRDBX-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287181;MM287181;C=CCCOCCC(=C)C;JSSFIDCEYOQKTA-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287182;MM287182;C=CCCOCCC(N)=O;BVTKZPURAXSUMR-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287183;MM287183;N#CC(C=C(F)CF)=NO;CRNISYVFRQQPHA-UHFFFAOYSA-N;146.1;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287184;MM287184;C=C(F)CCOCCC=O;LZTVRVWXGSTZKW-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287185;MM287185;C=C(F)CCOCCC#N;MHNVPXQCPYTGFK-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287186;MM287186;C=COCOCCC(=C)C;SDMYQNOTCPDRBP-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287187;MM287187;C=COCOCCC(=N)N;YAKJNCXEKQWKAQ-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287188;MM287188;C=Cn1cc(O)c(F)n1;AOBOPLVDANBOFU-UHFFFAOYSA-N;128.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287189;MM287189;C=NOCOCCC(=N)N;OASXWPQUFUKPDG-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287190;MM287190;C=NOCOCCC(=C)F;YIWDHVZLGQZLBO-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287191;MM287191;C=CCCCNCC(=C)C;DGVWYMJUZHKYAI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287192;MM287192;C=CCCCNCC(=N)N;AOIYSFXTWJRRMH-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287193;MM287193;C=C(C)CNCCNC=N;WWYLMLAWEVZSCI-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287194;MM287194;C=C(C)CNCCNC=O;WUMVJMGRKNFEFT-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287195;MM287195;C=C(C)COCCCC=O;NPMMRBVHBCNAFV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287196;MM287196;CC(=O)COCCN=CN;MDPXUKSRYSULHU-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287197;MM287197;C=C(F)COCCNC=N;CJLQSSXICSWLBK-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287198;MM287198;C=NNCCOCC(=C)C;SIRVGROLTLLJQO-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287199;MM287199;C=COCCOCC(=N)N;ODJSEPXAKQATNS-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287200;MM287200;C=CC(C=NN=C)C(=O)O;MUMWZVZUDJXOSE-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287201;MM287201;C=NOCCOCC(=N)N;BDMIDTPYSAJRJS-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287202;MM287202;N#CCOCOCC(=N)N;IHIOSCQHRIYMNV-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287203;MM287203;N#CCOCOCC(N)=O;GYMTVESIYXIMGL-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287204;MM287204;C=C(F)COCOCC#N;XJOASYXKRUAWCT-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287205;MM287205;N=CNOCOCC(=N)N;ZBZJCMSZJPVXGW-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287206;MM287206;N=CNOCOCC(N)=O;SIYXHTXDHTXUGB-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287207;MM287207;NC(=O)COCONC=O;PAUJRIYWBTZYLM-UHFFFAOYSA-N;148.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287208;MM287208;Cc1noc(O)n1;RKRLQDJTVWZXMM-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287209;MM287209;C=C(F)COCONC=N;ZUNFIGQIFILILF-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287210;MM287210;C=C(F)COCONC=O;VCTZUMLGYJWXAM-UHFFFAOYSA-N;149.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287211;MM287211;C=CCCCCNC(C)=N;OKKBXNWXTIBWRL-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287212;MM287212;CC(=N)NCCCCC=O;WCUREXHIWQVQKF-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287213;MM287213;CON=CCOCC(N)=O;XDTMVLJSPMXVEB-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287214;MM287214;N=C(N)NCCCCC=O;GCQWVYLQXJQXQL-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287215;MM287215;C=CCCCCNC(N)=O;BEZPATQLDHDKKC-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287216;MM287216;NC(=O)NCCCCC=O;PAWQKVSIUKDULF-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287217;MM287217;N#CCCCCNC(N)=O;QGRSZDOIEQMAHS-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287218;MM287218;CC(=O)NCCCN=CN;GHAARZURKHVYQF-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287219;MM287219;C=NNCCCNC(C)=N;LUNHUIDGBUMTKC-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287220;MM287220;C=NNC(=N)C(N)C(N)=O;KMYIHJZVZWOXGX-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287221;MM287221;C=COCCCNC(C)=O;GGECLJNNAUWHNI-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287222;MM287222;CC(=O)NCCCOC=O;VYPHWOUULJWRSP-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287223;MM287223;C=COCCCNC(=N)N;WWGZAKSELBOXKL-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287224;MM287224;C=COCCCNC(N)=O;BPAZCWSPOCHLKP-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287225;MM287225;C=NOCCCNC(C)=N;WUXITWCSWHKHFW-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287226;MM287226;CNC=C(CC#N)C(N)=O;YMTWCPMTTSSDBT-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287227;MM287227;C=CCNCCNC(C)=N;ZOXCYYTUIXKFEB-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287228;MM287228;C=CCNCCNC(C)=O;IBCDNYGETPFUFE-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287229;MM287229;C=CCOCCNC(C)=N;FETQELKDNTULDY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287230;MM287230;CC(=N)NCCOCC#N;DXFSMPIFFVVBSQ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287231;MM287231;C=CCOCCNC(=N)N;HIPNWCRPJMLGSW-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287232;MM287232;N#CCOCCNC(=N)N;BJELSWPTZNQGDJ-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287233;MM287233;C=CCOCCNC(N)=O;KXCGAYQABNSMBB-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287234;MM287234;N#CCOCCNC(N)=O;CYZZBGFUHWCNFS-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287235;MM287235;N#CCCCNNC(=N)N;QIQYDBABSZLRSY-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287236;MM287236;C=CC(=O)CNC(=O)C=C;OXFYOHJTXKMFAY-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287237;MM287237;C=COCCNNC(=N)N;INSPRQRABZDONP-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287238;MM287238;C=NOCCNNC(=N)N;SNJKEQROPXYDSG-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287239;MM287239;CNN(C=O)CC(=O)C=O;RDAYSVRZNIWBEJ-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287240;MM287240;CC(=O)NOCCCC=O;MUFFLPSBMJBOAX-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287241;MM287241;N=C(N)NOCCCC=O;SPDVTKJGIZHBKQ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287242;MM287242;NC(=O)NOCCCC=O;JVZPOOQSEBACRG-UHFFFAOYSA-N;146.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287243;MM287243;N=CNCCONC(=N)N;OZBKZNWBZRKZOX-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287244;MM287244;C=COCCONC(=N)N;QCYCVCVYUXOYBW-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287245;MM287245;N=C(N)NOCCOC=O;JKKYXOVZEOFEKV-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287246;MM287246;C=NOCCONC(=N)N;ILUPPDGCVXETHP-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287247;MM287247;N=C(N)NOCOCC=O;JLMXOAXHWAGFAR-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287248;MM287248;C=CCOCONC(N)=O;WRQWCKBZYWSRIR-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287249;MM287249;NC(=O)NOCOCC=O;WHWHWAKIMODVQM-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287250;MM287250;N=C(N)NOCONC=O;BPIFIXGTGLBAPA-UHFFFAOYSA-N;148.12;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287251;MM287251;N=CNOCONC(N)=O;LKHQNQUKRCBNON-UHFFFAOYSA-N;148.12;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287252;MM287252;NC(=O)NOCONC=O;RVCBTEDCZQOQNV-UHFFFAOYSA-N;149.11;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287253;MM287253;C=CCCCCOC(=N)N;IYBVTCLTGLFDHY-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287254;MM287254;N=C(N)OCCCCC=O;OKLVUNIUFOFSFB-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287255;MM287255;C=CCCCCOC(N)=O;HPYABQSHZHKTMO-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287256;MM287256;NC(=O)OCCCCC=O;RJTJQAIJQJYHFX-UHFFFAOYSA-N;145.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287257;MM287257;N#CCCCCOC(N)=O;DUHOBUIMNYCPBG-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287258;MM287258;C=NN1CC1(C)C(=O)NC;ZPGILYNFWBLMRD-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287259;MM287259;CC(=O)OCCCN=CN;GJLNWNSXTYGEFA-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287260;MM287260;C=COCCCOC(N)=O;KBPSNDMWRZYXSM-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287261;MM287261;NC(=O)OCCCOC=O;ITFWBGDVXMCNOV-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287262;MM287262;C=NOCCCOC(=N)N;HPAIGBUSGWRYTE-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287263;MM287263;C=CCNCCOC(C)=O;BNHXCXALSWMRNY-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287264;MM287264;N#CCNCCOC(=N)N;PIVVKWHDGFFZIR-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287265;MM287265;C=C(C)OCCOCC#N;GFSWSHLYPYWKOV-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287266;MM287266;C=CCOCCOC(C)=O;UPPPRUXHPDMSCT-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287267;MM287267;N=C(N)OCCOCC=O;CTUUYEXZYSZPDH-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287268;MM287268;N#CCOCCOC(=N)N;GSNBQEQTEHZSLJ-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287269;MM287269;NC(=O)OCCOCC=O;IRJFRTWWUHYLJC-UHFFFAOYSA-N;147.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287270;MM287270;C=C(C)OCCONC=O;LVSMSJVKWNGCQN-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287271;MM287271;C=C(C)OCOCCC#N;QJRCPRGGAGUIQF-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287272;MM287272;CC(=O)OCOCCC=O;MIXHBQBJVHAZMN-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287273;MM287273;N#CCCOCOC(=N)N;MGCOVWBNTVGCNF-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287274;MM287274;N#CCCOCOC(N)=O;MEHUGWWKLYNMPU-UHFFFAOYSA-N;144.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287275;MM287275;C=COCOCOC(=C)C;IWNBFHWTLKGRBN-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287276;MM287276;CC(=O)OCOCOC=O;FCAVYBRABTYGEN-UHFFFAOYSA-N;148.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287277;MM287277;N=C(N)OCOCOC=O;XBJOAZCSUJATSW-UHFFFAOYSA-N;148.12;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287278;MM287278;C=COCOCOC(N)=O;QDDJKYDCVNKYGC-UHFFFAOYSA-N;147.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287279;MM287279;NC(=O)OCOCOC=O;QXPIFCRHBOXMLF-UHFFFAOYSA-N;149.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287280;MM287280;C=NOCOCOC(=N)N;YBWOLPPSVPJTGJ-UHFFFAOYSA-N;147.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287281;MM287281;CN(NCCO)C(=N)C#N;XXEHAHIJPPWNOL-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287282;MM287282;C#CCCCCCC(=C)C;SVTISKUTJOPYQM-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287283;MM287283;C#CCCCCCC(=N)N;JKDCWVMXFWWBEZ-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287284;MM287284;C#CCNCCCC(=C)C;RTEDDPIOTDVODZ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287285;MM287285;C#CCNCCCC(C)=O;DDEOYNPPMVJGAM-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287286;MM287286;C#CCOCCCC(=C)C;RBEQJZMPRKCVPT-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287287;MM287287;C#CCOCCCC(C)=O;CIZSEEPLOJOFJF-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287288;MM287288;C#CCCNCCC(=C)C;GOQYQXQMPCOHFU-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287289;MM287289;C#CCCOCCC(C)=O;NKDMCZVOWFFNPX-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287290;MM287290;C#CCCOCCC(=C)F;GZSSHDPBZOPTMR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287291;MM287291;C#CCCCNCC(=C)C;QBLGZAXGDMJPPW-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287292;MM287292;C#CCOCOCC(C)=O;SVUKNADAGSZKIP-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287293;MM287293;C#CCOCOCC(=N)N;MITQJCWBJYNZPE-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287294;MM287294;C#CCOCOCC(N)=O;PXPPXYNQBSPTGM-UHFFFAOYSA-N;143.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287295;MM287295;C#CCOCCNC(=N)N;ZLVWLKPKWTYRND-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287296;MM287296;C#CCOCCNC(N)=O;PGXMAOFCXYPWME-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287297;MM287297;C#CCCCONC(N)=O;LBADNAWJHZJAJG-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287298;MM287298;C#CCOCONC(=N)N;GZVTWQWAIJVWOW-UHFFFAOYSA-N;143.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287299;MM287299;C#CCOCONC(N)=O;XVYNDYRYLQBJBD-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287300;MM287300;C#CCCCCOC(N)=O;KFOCITAMTWVDEF-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287301;MM287301;C#CCNCCOC(=N)N;YSAJJUGBBSPRTP-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287302;MM287302;C#CCOCCOC(=C)C;LVFSOVZJCTUXRC-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287303;MM287303;C#CCOCCOC(C)=O;ZIDKQTPGMKPXTQ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287304;MM287304;C#CCOCCOC(N)=O;IGONVXLRLYZSMM-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287305;MM287305;C#CCCOCOC(C)=O;YMEZGYMPJCRKNF-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287306;MM287306;C#CCCOCOC(=N)N;RUPRSKVUIKRTNB-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287307;MM287307;CC(N)CCCCC=CF;KIFHNYIEJMGITE-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287308;MM287308;CC(N)CCCN=CNO;HVCLZFMUVGBQRJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287309;MM287309;CC(O)CCCN=CNN;WKCXPZACMRCIPT-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287310;MM287310;CC=NNCCCC(C)N;NEQRPVIJOGGLIA-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287311;MM287311;CC=NNCCCC(F)F;WVSLVUGSPUQPMM-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287312;MM287312;CC=CCNCCC(C)O;KNNWVZKJTHDANC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287313;MM287313;CC(F)CCNCC=CF;MHFWUXCTBODUHA-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287314;MM287314;FC=CCNCCC(F)F;FINCNDVLSZBXAF-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287315;MM287315;CN=CNNCCC(C)C;SQSXDQLMMACZTJ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287316;MM287316;CN(NCCO)C(=O)C#N;QFFFFLWUSODDRN-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287317;MM287317;N=C(NC=CF)C(F)C=O;CYUGATKGGDMUAA-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287318;MM287318;CC(N)CCOCC=NO;IIBQVIHZHBCMPZ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287319;MM287319;CNC(=O)CNN=COC;CRZGXTIPMZKNDL-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287320;MM287320;CC(O)CCOCC=NO;YOXNYPGDFKFQKP-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287321;MM287321;NN=CCOCCC(F)F;UEQLPLGQNOGKFB-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287322;MM287322;CC(C)CCON=CNN;OVLUSKGKBNFIIK-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287323;MM287323;C=CC=NNCC(=O)CF;RKXUZWCDQBXCNG-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287324;MM287324;CN=CNOCCC(C)N;PBVQKBXSPUVAGB-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287325;MM287325;CC(N)CCON=CNO;ZQLUYTGEHSYLRE-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287326;MM287326;CN=CNOCCC(C)O;ZXPFFODTKPLXAD-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287327;MM287327;CN=CNOCCC(C)F;VLOJWOVHAIRGKL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287328;MM287328;CN=CNOCCC(F)F;POZHCENEZMBLMM-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287329;MM287329;CC=CCCNCC(C)C;FESOXTGVGFFZDK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287330;MM287330;CC=CCCNCC(C)N;IANYNNGSEZLFRQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287331;MM287331;CC(F)CNCCC=CF;WVEGPWSWIWYREW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287332;MM287332;CC(F)CNCCC=NN;CYSYQSBMRDFJJL-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287333;MM287333;C#CC(=CCO)C(C)=NN;CBUKTPTYDGOIHW-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287334;MM287334;CC(N)COCOC=CF;NITQFUKTRIUOCT-UHFFFAOYSA-N;149.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287335;MM287335;CC(C)COCOC=NO;UZMONZZNKNXJCA-UHFFFAOYSA-N;147.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287336;MM287336;C#CCN(C=O)NCCO;VVDWGCCAKKWNRA-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287337;MM287337;CC(O)COCOC=NO;BJFDZHLBBLSXLD-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287338;MM287338;CC=NOCOCC(C)F;GAFWBBIKDVYFLB-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287339;MM287339;CC=NOCOCC(F)F;BXORZVDVQZTDPT-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287340;MM287340;CC=CCCCNC(C)C;WXMHSEHYXORBIH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287341;MM287341;CC(C)NCCCC=CF;HTBGDSRPKMTQAE-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287342;MM287342;CC(C)NCCCC=NO;RVTCMCGHAVQFJQ-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287343;MM287343;CC=NNCCNC(C)C;HFFOMKFJRAALOU-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287344;MM287344;C=NNCC(C#N)=CCO;DEOZQFPUKRYXKF-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287345;MM287345;CC(C)OCCOC=NO;MRPHZIRILLYAHN-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287346;MM287346;CC(C)OCOCC=NN;LQOOWWJLEDGFQO-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287347;MM287347;CN(C)CCCCC=NN;JVIPLOAJNSTHBG-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287348;MM287348;CC=NNCCCN(C)C;WVRWDPYAHIGFOR-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287349;MM287349;CC=NOCCCN(C)C;COYVXOOFVCUSOM-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287350;MM287350;CC=CCOCCN(C)C;RKQILZAFQGELKS-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287351;MM287351;C=C(C)CCCCC=CC;RETWOANBJJSVKQ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287352;MM287352;N=C(N)CCCCC=CF;SQVJZWRWUSYWFR-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287353;MM287353;CNn1nc(N)n(C)c1=O;CWSCNNDKJHLOID-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287354;MM287354;O=C(O)CCCCC=CF;OOHYEMSFQSLZKA-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287355;MM287355;CC(=O)CCCCC=NO;LUXVZXWFGKNCLB-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287356;MM287356;CN=C(NN)N(C=O)C=O;ASTKXTVOGYYHJS-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287357;MM287357;NC(=O)CCCCC=NO;GXRJECCHIUDXNO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287358;MM287358;C=C(C)CCCN=CNN;AKPVWHJWYVMPGM-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287359;MM287359;CN=CNCCCC(=N)N;FJJPCHSKYWITSH-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287360;MM287360;CN=CNCCCC(N)=O;HYGGJDWBGMYPEE-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287361;MM287361;N=C(N)CCCOC=NN;RPSIBQPIKGYYRF-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287362;MM287362;Fc1nn[nH]c1F;CASLODPASFGEDN-UHFFFAOYSA-N;105.05;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287363;MM287363;CN=C(C#N)NNCCO;ZUIRXJNSKWVGSI-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287364;MM287364;C=C(C)CCNCC=CC;QGJFBOMDLZDHBK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287365;MM287365;C=C(C)CCNCC=CF;LNFFSVZQZLBWJH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287366;MM287366;N=C(N)CCNCC=CF;WAACTYLHEHXKRF-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287367;MM287367;C=C(F)CCNCC=CF;XUMNOVRWJSGITF-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287368;MM287368;N=C(N)CCNN=CNO;WOTKHWWIJRUFFL-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287369;MM287369;CCNc1cc(NC)[nH]n1;GXMYAQROFOEVPD-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287370;MM287370;C=C(F)CCNNC=NC;FAUVJXCCJBHLOU-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287371;MM287371;NC(=O)CCOCC=CF;CODVXUVDAVIVSI-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287372;MM287372;N=C(N)CCOCC=NO;RNTIJOYMHUEKOA-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287373;MM287373;C=C(F)CCOCC=NN;RRSPRSAADNMPCR-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287374;MM287374;C=C(C)CCONC=NC;FFYMCXAQKINUJK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287375;MM287375;C=C(C)CCON=CNN;CWGWKNCZEGXZJK-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287376;MM287376;CCNc1cc(NC)n[nH]1;GXMYAQROFOEVPD-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287377;MM287377;CN=CNOCCC(=N)N;KIJTYHRBJZMXAD-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287378;MM287378;CN=CNOCCC(N)=O;LRPNODRANWNMFE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287379;MM287379;CCON=CNNCCO;MHFYFPJGAKQOGS-UHFFFAOYSA-N;147.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287380;MM287380;C=C(F)CCONC=NC;JUYOWXKUYLNPAL-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287381;MM287381;O=CCNN=CC=CCO;SZLLYORLNQKIFT-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287382;MM287382;C=C(C)CNCCC=CC;HELRKTMGHHGZBG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287383;MM287383;C=C(C)CNCCC=CF;GTQZNVZLYRRCBT-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287384;MM287384;CC=CCCNCC(C)=O;XDHTVWWEXGPHIX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287385;MM287385;CC=CCCNCC(=N)N;WLFVOHRLOQEBRK-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287386;MM287386;CC=CCCOCC(=N)N;TVXMCDXLABMBRS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287387;MM287387;CC(=O)COCOC=CF;SCQRPYMOARQQRD-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287388;MM287388;N=C(N)COCOC=CF;OSDBUYQTNOZYCZ-UHFFFAOYSA-N;148.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287389;MM287389;CC=COCOCC(N)=O;AROCXGSLEJOTFA-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287390;MM287390;NC(=O)COCOC=CF;BEHJFUWNYRGOHP-UHFFFAOYSA-N;149.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287391;MM287391;CON=C(C)C(=O)NOC;XCOLRTPBGMOZCK-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287392;MM287392;N=C(N)COCOC=NN;CVCWUNPKNKEUQF-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287393;MM287393;N=C(N)COCOC=NO;RJAFTXKZTNZQOL-UHFFFAOYSA-N;147.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287394;MM287394;C=C(C)C(F)=CC(N)=O;OKLWVUJNYHMIMJ-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287395;MM287395;CNC(=O)C=NN(C)C;ORYLGMUAVYJMAT-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287396;MM287396;CC(O)CC1(C#N)CN1;DXPWGZXWQVFGEC-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287397;MM287397;CCNc1noc(O)n1;XSTMCJWKWMJRRP-UHFFFAOYSA-N;129.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287398;MM287398;C=C(F)COCON=CC;LOCWBJUKAURDCX-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287399;MM287399;CC=CCCCNC(C)=N;JWELURHMQRZPDW-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287400;MM287400;CC(=O)NCCCC=CF;LSZGAZTYOWWRAE-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287401;MM287401;CC=CCCCNC(=N)N;TUDGKCONAFVQFG-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287402;MM287402;CC=CCCCNC(N)=O;REHFKOXIOVIZCD-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287403;MM287403;CC(=N)NCCCC=NN;PGKDEXKCMQPPCZ-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287404;MM287404;CCON=CCC(C)O;QRYIIWHIIDJWIN-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287405;MM287405;CC=NNCCNC(C)=N;DCFDGYNYJDLINC-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287406;MM287406;CC=NNCCNC(=N)N;MPMLPCBCRBDOMV-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287407;MM287407;N=C(N)NCCOC=CF;MKRQBOVBSDOAOT-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287408;MM287408;CC=COCCNC(N)=O;FSRVAGMUMSTESK-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287409;MM287409;NC(=O)NCCOC=CF;XDLSQTJTKRSSHN-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287410;MM287410;CC(=N)NCCOC=NN;HJWBRFLOFDRKQC-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287411;MM287411;N=C(N)NCCOC=NN;NLFBHNIOZPJROS-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287412;MM287412;N=C(N)NCCOC=NO;VLEJGKOGABQECJ-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287413;MM287413;CC=NOCCNC(=N)N;JOXOTSFMDQISNT-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287414;MM287414;CCON=C(C)C(N)=O;DDUMKPVRJMUHLZ-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287415;MM287415;CC=CCCNNC(C)=N;KNAXNYGZAZSOMS-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287416;MM287416;CCNN=CC(=O)NC;SCWFMVNEOHKWAK-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287417;MM287417;NN=CN(C=O)CCO;NGTKFEKQOZYPAE-UHFFFAOYSA-N;131.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287418;MM287418;CC(=N)NOCOC=CF;IYDOBWQWTDVOBX-UHFFFAOYSA-N;148.14;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287419;MM287419;N=C(N)NOCOC=CF;WKZWXAYEPCYMNN-UHFFFAOYSA-N;149.13;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287420;MM287420;CC(=N)NOCOC=NN;JPBRZYXBYPOJJT-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287421;MM287421;NN=COCONC(N)=O;ZQDFRUVSQAXRCW-UHFFFAOYSA-N;148.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287422;MM287422;NC(=O)NOCOC=NO;QHNUKFUNBAYBES-UHFFFAOYSA-N;149.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287423;MM287423;CC=NOCONC(C)=N;RHPSORPFDSDZPO-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287424;MM287424;CC=NOCONC(=N)N;DCCBNFUXSGTIKD-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287425;MM287425;CC=NOCONC(N)=O;CJOLXJIKZLIZQY-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287426;MM287426;C=C(C)OCCCC=CC;UAXICTOVDGQVCZ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287427;MM287427;CC=CCCCOC(=N)N;PVWOSYDJQCZZLQ-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287428;MM287428;CC=CCCCOC(N)=O;XMMSXCUFMNIPKV-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287429;MM287429;CC(=O)OCCCC=NN;HFHMDXVFHMSJCK-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287430;MM287430;N=C(N)OCCCC=NN;AHXQXXSIWLRTQA-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287431;MM287431;CC1CN1CC(=O)CF;ZVNSISPMYUBPRK-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287432;MM287432;NC(=O)OCCCC=NO;JYKRETIHLZFNEX-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287433;MM287433;CN=CNCCOC(C)=O;WEHRWLBWXAMANX-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287434;MM287434;N=C(N)OCCN=CNO;BENOUUMTOGTHOU-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287435;MM287435;CC=COCCOC(=N)N;VOASZNOAZMNDTN-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287436;MM287436;N#CCN1C=NC(=N)C1;UTNNCGIDXHPEJW-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287437;MM287437;C=C(C)OCCOC=NO;FRRUEWKGGKUQSQ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287438;MM287438;CC(=O)OCCOC=NO;OQCQMUPHENGGRO-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287439;MM287439;N=C(N)OCCOC=NN;UUQOZPDLGDFYAP-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287440;MM287440;N=C(N)OCCOC=NO;SVLTUVGINCERIY-UHFFFAOYSA-N;147.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287441;MM287441;CC=NOCCOC(C)=O;ZPKOOQWOEBNQRW-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287442;MM287442;CC=CCOCOC(=N)N;UIXKGWFNXAZBFJ-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287443;MM287443;NC(=O)OCOCC=CF;RTXJQXMFQQVBDZ-UHFFFAOYSA-N;149.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287444;MM287444;C=C(C)OCOCC=NN;NKGYCHPQATZCQQ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287445;MM287445;CC(=O)OCOCC=NN;IUPKDJUMRAFROJ-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287446;MM287446;CNc1n[nH]c(F)c1N;SGUQUKGLBZGEPM-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287447;MM287447;N#CC(C=O)NCCO;LWMOEJJPEJTBSC-UHFFFAOYSA-N;128.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287448;MM287448;CNc1cc(NC)[nH]n1;GYHVQSUFFDLGOQ-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287449;MM287449;N=C(N)OCONC=NN;LMRISWITVKMOCH-UHFFFAOYSA-N;147.14;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287450;MM287450;N=C(N)OCON=CNO;VFVDATDMEMOKMF-UHFFFAOYSA-N;148.12;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287451;MM287451;CC(O)CC=NNC(C)C;CFSMABFLNZKKLC-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287452;MM287452;CC#CCNCCC(C)O;HOBCROKPBNKMTJ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287453;MM287453;CC#CCNCCC(F)F;KBEBKQZLIIILNE-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287454;MM287454;CC#CCCNCC(C)F;ZARDSWCAEGACNP-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287455;MM287455;CC#CCOCCN(C)C;PYAGGYYUTGMVNE-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287456;MM287456;C=C(C)CCNCC#CC;PUZYSUBTKGQNAA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287457;MM287457;CC#CCNCCC(=N)N;NJWYTVAQBZKTCW-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287458;MM287458;CC#CCOCCC(C)=O;SBMLPXBCOLYVIU-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287459;MM287459;CC#CCOCCC(=N)N;PTEUMTSYDKPUGG-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287460;MM287460;CC#CCOCCC(N)=O;AYDVIZVRYDPRMX-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287461;MM287461;CNc1noc(O)n1;YPWMROFEJVGRLM-UHFFFAOYSA-N;115.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287462;MM287462;C=C(C)CNCCC#CC;HGAGFYVAWVVRJP-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287463;MM287463;CC#CCCOCC(=N)N;GYHUAJZKPXXYRQ-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287464;MM287464;CC#CCCOCC(N)=O;JCRLGFOVDPDXJH-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287465;MM287465;CC#CCCCNC(C)=N;KWKKRCHLETZATI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287466;MM287466;CC#CCCCNC(C)=O;RNMNOORLAIHJCD-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287467;MM287467;CC#CCCCNC(=N)N;XGNIWFTZIUVKGH-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287468;MM287468;CC#CCCCNC(N)=O;LBLOEPSRSJQDBA-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287469;MM287469;CC#CCCNNC(C)=N;GZNQEZOJEYULKY-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287470;MM287470;CC#CCCCOC(N)=O;JOBQODQVJDXNRJ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287471;MM287471;CC#CCOCOC(=N)N;WDYUWXBWPXZDBG-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287472;MM287472;CCC=CCCCC(C)C;MWTCCUBOEJQUIB-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287473;MM287473;CC(C)CCCC=CCN;CRQVXRIAGPHHLU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287474;MM287474;CCC=CCCCC(C)N;AOLNXWICRYNZCO-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287475;MM287475;CNN=CCCCC(C)N;XFYNCVFJIUEMJN-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287476;MM287476;CC(O)CC=NOC(C)C;XWIZXEUUCZERJL-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287477;MM287477;CON=CNCCC(C)N;QQHONYITXSUMBS-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287478;MM287478;CC(N)CCNN=CCO;ICSKUGXJVJWTAX-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287479;MM287479;CCN(C)N=CCC(C)O;NUJQYORTZOOCMB-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287480;MM287480;CC(O)CC=NN(C)C=N;OOHSOOFFBHKUAW-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287481;MM287481;CC(C)CCOC=CCN;RNNSFIANEBCQOA-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287482;MM287482;CC(F)CCOC=CCO;PZEYGHGOSWNQMZ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287483;MM287483;OCC=COCCC(F)F;UMEYSIRDHMUVEI-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287484;MM287484;COC=COCCC(C)O;DFFVCXXNSXVSEV-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287485;MM287485;CNC=C(C#N)CC(C)O;GEFDFHWLFIZXQA-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287486;MM287486;CON=COCCC(C)N;CSUFCQIHBIOMNM-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287487;MM287487;CON=COCCC(F)F;FPFWOLVGIVEQRK-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287488;MM287488;CCC=NOCCC(C)C;UVBLGFFCBFKASH-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287489;MM287489;C=C(F)C(=CC(N)=O)CF;JJABXPQMMLGHKN-UHFFFAOYSA-N;147.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287490;MM287490;CCC=NOCCC(C)N;XKEGPMBSMWRSEK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287491;MM287491;CC(N)CCON=CCO;MWJFIIQSEODKMV-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287492;MM287492;CC(=O)NCC=NN=CN;COUSKLNPQDIWGH-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287493;MM287493;CC(O)CCON=CCN;HBYGPIFINPQJOE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287494;MM287494;CCCON=CCC(C)O;XNWCHVOZCPFUCG-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287495;MM287495;CCC=NOCCC(C)F;DREBMCJGDWSGJY-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287496;MM287496;CCC=NOCCC(F)F;TXOVJRWIJRASRQ-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287497;MM287497;COC=NOCCC(C)C;QWLYKNGPCGVPNW-UHFFFAOYSA-N;145.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287498;MM287498;COC=NOCCC(C)N;NLZFGFCBAJERSK-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287499;MM287499;COC=NOCCC(F)F;FJLKKGQARKQRSR-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287500;MM287500;CC(C)CNCC=CCN;HVRUIWHVXFPPHK-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287501;MM287501;CC(C)CNCC=CCO;PAZOZDDBZPQGLA-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287502;MM287502;CON=CCNCC(F)F;AFISUHCYEYTUSE-UHFFFAOYSA-N;152.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287503;MM287503;CC(N)COCC=CCO;JDJQROYXAYBXCM-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287504;MM287504;CC(O)COCC=CCF;DDSTXJOJBBVEAV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287505;MM287505;CCC=CCOCC(C)F;WHGOKDLHYGKLBH-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287506;MM287506;CC(F)COCC=CCO;ZICPOUHFNYERBU-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287507;MM287507;CNN=CCOCC(C)N;DYCQMCSYGVEZFS-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287508;MM287508;CN=CNN=CCC(C)O;GCYOZJRWWAFOID-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287509;MM287509;CON=CCOCC(C)N;XRZDNADFKAVWRT-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287510;MM287510;CON=CCOCC(C)F;KYXOWSHIYRRTJY-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287511;MM287511;CNN=CNOCC(C)N;RUECDDRMTSKYCL-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287512;MM287512;CC(O)CC=NN=CNN;VZPVOVLUUSJCTA-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287513;MM287513;CC(O)CC=NOC=NN;PAHIOTPRJYIQMU-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287514;MM287514;CON=CNOCC(C)N;ZDBNHUVYNCXKIV-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287515;MM287515;C=CC=NN=CCC(C)O;BASUBIKHVWZCGX-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287516;MM287516;CC(C)NCCC=CCN;DJYDHNHESVVAGD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287517;MM287517;CC(C)NCCC=CCO;ZCZHTKRNAXZOGW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287518;MM287518;CC(C)NCCC=CCF;KBTRSRYYYCPUDX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287519;MM287519;CNN=CCCNC(C)C;SYVXTJDIIVCSNN-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287520;MM287520;CC(C)OCOC=CCO;XBGWVTKNNTTZMU-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287521;MM287521;CON=COCOC(C)C;AZGUPXXZWIISEX-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287522;MM287522;CC(C)OCON=CCN;UVGOTFUOOSRXQD-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287523;MM287523;COC=NOCOC(C)C;WEACRCGVBSMQQW-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287524;MM287524;CN(C)CCCC=CCN;RAARHMPMKPXJTL-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287525;MM287525;CNN=CCCCN(C)C;LBYFEJVXHSUNOL-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287526;MM287526;CNN=CNCCN(C)C;WXUSMRPLEDUFQK-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287527;MM287527;CCC=COCCN(C)C;QHSHUNGEAKUPPD-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287528;MM287528;CN(C)CCON=CCN;XVPNMGJHAHNJST-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287529;MM287529;C=CC=CCCCC(C)C;RQKRZYRIWMDSNM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287530;MM287530;CC(C)CCCC=CC#N;CZXQNWBJWIQSNW-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287531;MM287531;C#CCC(=O)CNN=CC;MKQGUAMCHFQSCP-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287532;MM287532;CC(C)CCNC=CC#N;FQBNROIARYGLIM-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287533;MM287533;CC(O)CCNC=CC=O;NOVMEUOUCYJYSW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287534;MM287534;CC(F)CCNC=CC=O;UUELKZDOSPSDFW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287535;MM287535;CC(N)CCN=CNC=O;OVXYOHFXTMHJJO-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287536;MM287536;CN(N)C(=O)C#CCCO;BKDRQCNZTRNQRG-UHFFFAOYSA-N;142.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287537;MM287537;C=C(C(N)=O)C(F)COC;IHFMIOFSFZVBNQ-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287538;MM287538;NN=CN(C=NN)CCO;XXKPAGWQSRNMHR-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287539;MM287539;CC#CC(C=NN)=CCO;OISGQTMVHZRJAD-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287540;MM287540;C=C(C)C(C(N)=O)=C(C)F;BKCQSVBWGBPXMS-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287541;MM287541;C#CC(=NN)NCC(N)=O;OBLWGNLGBWEOII-UHFFFAOYSA-N;140.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287542;MM287542;C=CC=NNCCC(F)F;WSTNKGWYQKYQAV-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287543;MM287543;C=CC(=O)NCC=NOC;MCMNKUSOOHQQCE-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287544;MM287544;N#CC=NNCCC(F)F;WHOLAYWSGCZEJB-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287545;MM287545;CC(C)CCOC=CC#N;TWZNBDFNOILFGQ-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287546;MM287546;CC(O)CCOC=CC#N;YLNFUGPTHOMCHV-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287547;MM287547;C=CC=COCCC(C)F;NZUGWKFPOBMLAU-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287548;MM287548;CC(C)CCON=CC#N;KRUAPXPAGDYEPT-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287549;MM287549;C=CC=NOCCC(C)N;GIDKMKOGMNPGRK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287550;MM287550;N=C(CF)N(C=O)CCO;BLAVQKJVWGGATE-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287551;MM287551;N#CC=NOCCC(F)F;OETBKDPGBYRRDD-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287552;MM287552;CC(C)CNCC=CC#N;FFTVRGNIXQVFST-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287553;MM287553;N=CNC=NNCC(F)F;PBGBYFKECOVGRB-UHFFFAOYSA-N;150.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287554;MM287554;O=CNC=NNCC(F)F;KDKLCJIBDZYQFE-UHFFFAOYSA-N;151.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287555;MM287555;C=NN=CCOCC(C)O;NQUYDCWFXRUOSX-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287556;MM287556;O=CNC=NOCC(F)F;TYAHBJVKDPVCFR-UHFFFAOYSA-N;152.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287557;MM287557;N=CN(CCO)C(=N)C=O;WCXGCRJRZBHZBJ-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287558;MM287558;CC(C)NCCC=CC#N;VKAOWQAMLOAOOY-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287559;MM287559;C=CC=COCOC(C)C;YMMADTMMNHBTNW-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287560;MM287560;CC(C)OCOC=CC#N;BLQSAJKDWJBUSS-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287561;MM287561;CC(C)OCON=CC#N;RBAFXONSFPMPSW-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287562;MM287562;CN(C)CCOC=CC#N;UHYJASRPXPFNFC-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287563;MM287563;C=NN=COCCN(C)C;JFRPJTKRRZVGHW-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287564;MM287564;C#CC=CCCCC(C)C;VZZVMMITFQBOCG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287565;MM287565;C#CC=NNCCC(C)N;VCJBHTNCNONBNC-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287566;MM287566;C#CC=NOCCC(C)C;DPXJJRVQPOSDBR-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287567;MM287567;C#CC=NOCCC(F)F;ZRQABCFWICOMKP-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287568;MM287568;C#CC=NOCOC(C)C;OXTXRZFWCDKIRY-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287569;MM287569;C#CC=COCCN(C)C;KDMVMSPRBZYDSC-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287570;MM287570;C=C(C)CCCC=CCC;METPJMHPZYGRCF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287571;MM287571;C=C(C)CCCC=CCN;GABLODMCSMOKCM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287572;MM287572;C=C(C)CCCC=CCO;YGAMDYAHFYRTMD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287573;MM287573;CCC=CCCCC(=N)N;BXBRWCZPQORSFK-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287574;MM287574;NCC=CCCCC(N)=O;SGNXRDYTYCTLAX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287575;MM287575;N#CC(=N)N(C=N)CCO;LHXHERWONLNCCU-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287576;MM287576;C=CC(=N)N(C=O)CCO;XMXGVGOWRGZEOU-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287577;MM287577;N#CC(=O)N(C=N)CCO;LYZQVGTWOKRAMZ-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287578;MM287578;C=C(C)CCNC=NCC;WSIKXYPXUWBIQL-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287579;MM287579;CCN=CNCCC(C)=O;ULUNGGZBNVMERD-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287580;MM287580;CNN=CNCCC(=N)N;SWGQQWIRMNYURG-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287581;MM287581;C#CC(=O)N(C=N)CCO;BETLEZATOWJTDJ-UHFFFAOYSA-N;140.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287582;MM287582;N=CN=CN(C=O)CCO;WJWQDQVIKWIJMV-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287583;MM287583;N=C(N)CCNN=CCN;SZEZKRKUEGNZSJ-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287584;MM287584;N=C(N)CCNN=CCO;VFYVJYUCCSEMRG-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287585;MM287585;C#CC(C=NNC)=CCO;BBSJGQICNRJMRN-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287586;MM287586;C#Cc1onc(NC)c1N;KDUIEBXUJZBTAU-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287587;MM287587;COC=NNCCC(=N)N;LXLJGCXYPLZATI-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287588;MM287588;C=C(F)CCOC=CCN;DIFTUGVYPOXLIN-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287589;MM287589;C=C(F)CCOC=CCO;XCHMIECUUVPIFF-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287590;MM287590;C=C(C)CCOC=COC;UDMAKKBTQPOAMS-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287591;MM287591;COC=COCCC(N)=O;GTEHOGHXIFMCCL-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287592;MM287592;C=C(F)CCOC=COC;JUIWRGQSXZKJJT-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287593;MM287593;CNN=COCCC(=N)N;GKUREJOPPNTAIM-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287594;MM287594;NN=CC#CC#CCCO;JNVLMKZKUDDUJS-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287595;MM287595;C=C(C)CCOC=NOC;NJFHXWOJROEUNW-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287596;MM287596;C=C(F)CCOC=NOC;RXAKSRMOJJDGPP-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287597;MM287597;O=C(CF)CN1CC1;QDVQKSHXKKLFHJ-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287598;MM287598;N=C(N)CCON=CCN;FUCRBBFZVAHYNB-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287599;MM287599;N=C(N)CCON=CCO;JCDAXQJAZUBUSB-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287600;MM287600;NCC=NOCCC(N)=O;ZFKZLDXOKBPPSG-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287601;MM287601;CC(=N)N=c1[nH]c(=O)[nH]o1;ATBDEHVMSOBFOM-UHFFFAOYSA-N;142.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287602;MM287602;Oc1cnco1;IUNPZDITMZHUQF-UHFFFAOYSA-N;85.06;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287603;MM287603;C=C(F)CCON=CCC;LJMTWWVZIQJMAB-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287604;MM287604;C=C(F)CCON=CCN;QEHYSGDPXDGHJG-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287605;MM287605;NC(=O)C=NN1CC1;VGVRPBFHLFOKAR-UHFFFAOYSA-N;113.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287606;MM287606;C=C(C)CCON=COC;IKXNPHHCYJXUSE-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287607;MM287607;COC=NOCCC(=N)N;RGEOGEZZKYQVEX-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287608;MM287608;CC(C)OC(=CN)C(=O)O;IJORRWIQHAXJCB-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287609;MM287609;C=C(F)CCON=COC;QYHXNCDWZOTQLP-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287610;MM287610;C=C(C)CNCC=CCC;VFFCDMORCQFLKF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287611;MM287611;CNN=CCNCC(=N)N;JVTZPYAADTYPEJ-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287612;MM287612;CNN=CNNCC(=N)N;AACUZXFSLRBCFS-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287613;MM287613;N=C(N)COCC=CCF;DKLZBFNSZUKZLV-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287614;MM287614;CCC=CCOCC(N)=O;KKCFEYNVRKIBGO-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287615;MM287615;C#Cc1noc(=NC)[nH]1;STBOSSOYXGXLAU-UHFFFAOYSA-N;123.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287616;MM287616;COC=CCOCC(=N)N;MDUDPQPEEKXXBZ-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287617;MM287617;C=C(C)COCC=NNC;AUEQRRNEXVPZEG-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287618;MM287618;COC1CN(N)C1=O;QNOQZIXFMODZDX-UHFFFAOYSA-N;116.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287619;MM287619;CNN=CCOCC(=N)N;WAUOZDMIVGISLP-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287620;MM287620;CON=CCOCC(=N)N;JYHXGXQADRXJPU-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287621;MM287621;C=CCC(=O)C1CN1;BBXRATXMPGKLJC-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287622;MM287622;N#CC=C(N)CC(N)=O;YDBOMQJECQRYIY-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287623;MM287623;CON=CNOCC(=N)N;SUGSSBNUXRCVSQ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287624;MM287624;C=NN(C)CC(=O)CF;ZFFMJNLFSXDEAB-UHFFFAOYSA-N;132.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287625;MM287625;O=CC1CC(C(=O)O)C1;QDBLTUPIYOYNIY-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287626;MM287626;CC(=N)NCCC=CCN;GWNCTLXMPQWHSU-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287627;MM287627;CCC=CCCNC(=N)N;ALZGUAHDZJVOGD-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287628;MM287628;N=C(N)NCCC=CCO;MWKFRCQBEDWOFJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287629;MM287629;CCC=CCCNC(N)=O;BEHCKSBCTDERTD-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287630;MM287630;NC(=O)NCCC=CCF;VNGCKXGFDHHVEN-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287631;MM287631;COC=CCCNC(C)=O;GRCFAWMUYOHXLU-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287632;MM287632;COC=CCCNC(=N)N;QAXHETBKHUPOIM-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287633;MM287633;COC=CCCNC(N)=O;JVYVBYWSJFLFPE-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287634;MM287634;CNN=CCCNC(C)=N;VNLCSBOWNLTRGI-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287635;MM287635;C#CC1(CC(C)O)CN1;OPQVYPOZIJAMGH-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287636;MM287636;CCC=CCNNC(C)=N;BCASZIBMSZENPP-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287637;MM287637;C#CCC(=O)CNN=C;RSFVCQKENDXQCE-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287638;MM287638;C=NOC(=O)C=CCO;PMKCTBFPWROTNE-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287639;MM287639;CC=NNCC(=O)CF;XLHLYWPRXODRMU-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287640;MM287640;CNN=CCNNC(=N)N;SGEAUKDXZOGMOJ-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287641;MM287641;CCC=CCONC(C)=O;NRRDPDVMTLLWFA-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287642;MM287642;N=C(N)NOCC=CCO;YOQRILHZCXMJIR-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287643;MM287643;CCC=CCONC(N)=O;XXVBPQDWTNMUST-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287644;MM287644;COC=CCONC(=N)N;ZPYHBZGKTQCFBJ-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287645;MM287645;CNN=CCONC(C)=O;RPQQKMAQXAMSTO-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287646;MM287646;CNN=CCONC(=N)N;OTMLHEQUAHPCMT-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287647;MM287647;C=CC(=O)N(C)CCO;VYHUMZYFJVMWRC-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287648;MM287648;CON=CCONC(C)=N;KCTGHEMNIXBTNR-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287649;MM287649;CON=CCONC(=N)N;ZLMSHRLCIMOMNO-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287650;MM287650;CCC=CCCOC(N)=O;IZNCBVLVGDUPEY-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287651;MM287651;NCC=CCCOC(N)=O;NIPSQMACIXIWSG-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287652;MM287652;COC=CCCOC(N)=O;PDEOCERBLCFUDB-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287653;MM287653;Cc1c(N)cn(O)c1C;RVDKGDXPZYSKOW-UHFFFAOYSA-N;126.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287654;MM287654;C=C(C)OCOC=CCC;KOUDXALNOSFVJH-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287655;MM287655;C=C(C)OCOC=CCO;LAJDASCQGRDMSR-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287656;MM287656;CCC=COCOC(C)=O;NOVFGUWUFQGRAX-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287657;MM287657;CC(=O)OCOC=CCN;NEYMXTSQRIHCOC-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287658;MM287658;CC(=O)OCOC=CCF;MSXYKHMERQUGFK-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287659;MM287659;N=C(N)OCOC=CCN;VXTVNAMDTFWWLX-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287660;MM287660;N=C(N)OCOC=CCO;JUMMEVGHIULULN-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287661;MM287661;N=C(N)OCOC=CCF;DTFWRFDIXDZLBY-UHFFFAOYSA-N;148.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287662;MM287662;CCC=COCOC(N)=O;XRPYPTVKJJYXCO-UHFFFAOYSA-N;145.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287663;MM287663;NCC=COCOC(N)=O;RREJXQDMLOQNDB-UHFFFAOYSA-N;146.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287664;MM287664;C=C(C)OCOC=COC;PQASHHBREUNERG-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287665;MM287665;C#CCc1cc(N)n[nH]1;VZERQBMMEAMTHD-UHFFFAOYSA-N;121.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287666;MM287666;CNN=COCOC(=N)N;NZCQQXIQFFRQLR-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287667;MM287667;C=Cc1noc(F)c1N;MCOUZSMMXCXSNM-UHFFFAOYSA-N;128.11;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287668;MM287668;C=C(C)OCOC=NOC;CBZLOWKIGFECLW-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287669;MM287669;CON=COCOC(=N)N;YPNMGJZPPATXMK-UHFFFAOYSA-N;147.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287670;MM287670;C=C(C)OCON=CCN;LKXIREJNKXDLGX-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287671;MM287671;CC(=O)OCON=CCN;YIMRDLUXLOAMRR-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287672;MM287672;O=CCC1CN1CCO;FRGMMZQIFXLAOD-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287673;MM287673;N=C(N)OCON=CCO;BSWBLIUYCHEAPJ-UHFFFAOYSA-N;147.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287674;MM287674;C=NOC(C)(C)CC(C)O;UJQMZNXFFQBCRV-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287675;MM287675;C=C(C)OCON=COC;NCZUEHRBGIEKSP-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287676;MM287676;COC=NOCOC(=N)N;UVUFSKPISPINOU-UHFFFAOYSA-N;147.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287677;MM287677;C=CC=CCCCC(=C)C;BOVRIGUOHDFQIS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287678;MM287678;C=C(C)CCCC=CC=O;VFBRCMDFTMSZQS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287679;MM287679;C=C(C)CCCC=CC#N;DPFJSZWRKDFPRE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287680;MM287680;C=CC=CCCCC(C)=O;KFDHBYPUZXIJQT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287681;MM287681;C=CC=CCCCC(=N)N;MBZZUESXRAMEFB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287682;MM287682;N=C(N)CCCC=CC=O;RBIJDCNCLQKVIW-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287683;MM287683;CN(N)C=NN=CC(N)=O;FXICOYMEXLIFMP-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287684;MM287684;C=NN=CCCCC(=C)C;HBEXXPDMPICJGF-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287685;MM287685;COC(=O)C=C(N)C(N)=O;ULUSNUXNECOEJJ-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287686;MM287686;C=C(C)CCNC=CC=O;XNFLZCJSTREXJD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287687;MM287687;C=C(C)CCNC=CC#N;GQUPWQUTRAVILN-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287688;MM287688;CON=C(C)C#CC(F)F;BRMZOQYHLKGZFI-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287689;MM287689;C=NOC(=N)N(C)CCO;YWHIAQAIGCRSLA-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287690;MM287690;C=NNC=NCCC(=N)N;HBSFRZYAITZZJE-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287691;MM287691;CC=CC(=O)N(C)CCO;XUSCNIKMXDGQQQ-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287692;MM287692;O=CCC1CC1C(=O)O;HGVLTMXPCQSRPL-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287693;MM287693;COCC(=N)N(C)C(N)=O;NYDUOFBQGDXZGQ-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287694;MM287694;C=CC=NNCCC(=N)N;QHGLUSCJVRNYGQ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287695;MM287695;N=C(N)CCNN=CC=O;SOFCRYBXMMWQJD-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287696;MM287696;N#CC=NNCCC(=N)N;LWPUZJDYTJEQBM-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287697;MM287697;CCC1(OCC(=O)O)CC1;ZKDNQTGPQHVKBA-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287698;MM287698;C=C(CC)C(C)(O)C(=O)O;NYPQEPNLRGUKTJ-UHFFFAOYSA-N;144.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287699;MM287699;C=C(C)C(=O)N(C)CCO;KJWDFJXMZXZWTC-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287700;MM287700;C=C(C)CCOC=CC=O;DNYMJRKZDHOMKG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287701;MM287701;C=CC=COCCC(C)=O;CSNKCNWOSPNCLE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287702;MM287702;O=C(O)C=CC(F)CO;DWAKBVASMGWUHB-UHFFFAOYSA-N;134.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287703;MM287703;C#CC(F)C(=NO)OC=C;QLQRWQRKJXZKCG-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287704;MM287704;C=C(F)CCOC=CC#N;FEHXLGKXWISECF-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287705;MM287705;C=NN=COCCC(=C)F;RSWRGXQJMMUIQY-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287706;MM287706;C=C(C)CCON=CC=O;FUCBJBSPLOFMLI-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287707;MM287707;N#CC=NOCCC(=N)N;NKFNDPLNKSQGNJ-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287708;MM287708;C=CCC(=NOC)C(N)=O;QWVQHBXSHGICOG-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287709;MM287709;CC#CC(O)C(C=O)=NO;KLVLTCZOZVUEEZ-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287710;MM287710;C=C(F)CCON=CC#N;QTDKCTOPOCVHQR-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287711;MM287711;C=CC=CCNCC(=C)C;KIONUNRLCSRPAV-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287712;MM287712;C=C(C)CNCC=CC=O;BMVCVRAPWGOJMN-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287713;MM287713;N#CC=CCNCC(=N)N;SKFHCIVKFIUGQV-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287714;MM287714;C=NN=CCNCC(=C)F;GPFDAMOTWSYILW-UHFFFAOYSA-N;143.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287715;MM287715;CC(=O)CNN=CNC=O;NTKJBPGHYNEMCZ-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287716;MM287716;N=CNC=NNCC(=N)N;GIGLNIYELCXBMC-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287717;MM287717;N=C(N)CNN=CNC=O;XSBOHKZGHBSUJR-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287718;MM287718;N=CNC=NNCC(N)=O;QDJXSXQEJZMYGK-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287719;MM287719;N#CCOCC(CF)=NO;KUIQAYKKKQOBRG-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287720;MM287720;C=C(F)CNN=CNC=N;AASKCUDOAJFOEC-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287721;MM287721;C=CC=CCOCC(=N)N;KAYGSUKZRXOYQJ-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287722;MM287722;C=CC=CCOCC(N)=O;OQFYQHLADVSUDW-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287723;MM287723;Cn1[nH]c(=NO)n(O)c1=O;FERIOQPIJOXISZ-UHFFFAOYSA-N;146.11;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287724;MM287724;C=C(F)COCC=CC#N;POFREFZHXKCLKE-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287725;MM287725;C=NN=CCOCC(=N)N;DLQXZBDDCRORSM-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287726;MM287726;C=NN=CCOCC(N)=O;SDXBFUMYKVMJJA-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287727;MM287727;N=CNC=NOCC(=N)N;UMEAOUFKDHJFTG-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287728;MM287728;Nn1nc(F)c(O)nc1=O;PPHHGMNHPGENKI-UHFFFAOYSA-N;146.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287729;MM287729;NN=CC(=CCO)C(F)F;CSFJOOUKZQGPFN-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287730;MM287730;C=CC=CCCNC(C)=N;JKKVWMPKPABBGW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287731;MM287731;CC(=N)NCCC=CC#N;JZIBLZZNUUUWON-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287732;MM287732;N#CCN1CC(C(N)=O)C1;FYDUARNRZCSXAC-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287733;MM287733;N=C(N)NCCC=CC=O;YZGVYOSPKFCHSW-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287734;MM287734;C=CC(=O)NCC(C)=CF;IQDKZWYBTCPJIN-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287735;MM287735;C=NN=CCCNC(=N)N;HPEGZCPZDKTGNP-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287736;MM287736;CC(=N)NNCC=CC#N;FIVUCKUBTXMHHW-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287737;MM287737;NC=NOC(=O)C=CCO;MGXUSHJEZMQEOP-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287738;MM287738;N=C(N)NNCC=CC=O;MIQWFQOGRMUVGJ-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287739;MM287739;CC=NOC(=O)C=CCO;QBKXINYNLZCLGZ-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287740;MM287740;C=NN=CCNNC(N)=O;GDTRUPGOPSLUJT-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287741;MM287741;C=CC=CCONC(C)=O;WSUXIRMLVIQBSX-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287742;MM287742;CC(=O)NOCC=CC=O;SRQNEHAUOWFOFW-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287743;MM287743;C=CC=CCONC(N)=O;QHRTVXGUNAHORC-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287744;MM287744;C=NN=CCONC(=N)N;FGVWFDYFUMGMOJ-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287745;MM287745;CC(=O)OCCC=CC=O;JPNPCUUBQISJKA-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287746;MM287746;C=CC=CCCOC(N)=O;BFDGLWGCJBOILG-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287747;MM287747;C=NN=CCCOC(N)=O;GIOZCEAPZHZHAP-UHFFFAOYSA-N;143.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287748;MM287748;C=C(C)OCOC=CC#N;FOJZBCDMNAILML-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287749;MM287749;N=C(N)OCOC=CC=O;BAVCPZDOMHUTBS-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287750;MM287750;NC(=O)OCOC=CC=O;IQXKFVOQSOQATK-UHFFFAOYSA-N;145.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287751;MM287751;C=NN=COCOC(=C)C;CSEXVQLTTGJHMQ-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287752;MM287752;C=CC=NOCOC(=C)C;GUYFZKSDBLUNLN-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287753;MM287753;N=C(N)OCON=CC=O;QAFDMYOINHUEKJ-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287754;MM287754;N#CC=NOCOC(N)=O;JNVQOCXDNGBLIC-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287755;MM287755;C#CC=CCCCC(=C)C;GLLONKDLZDTBGZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287756;MM287756;C=C(CC(=O)O)OC=NN;HEEXHVQCWCOAJL-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287757;MM287757;C#CC=NOCCC(=C)C;SXUSXTHMXSZDQB-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287758;MM287758;C#CC=NOCCC(=N)N;NWJRKGJGKHBMOC-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287759;MM287759;NN=COCCC(=O)O;NEIRCBPFWHEFTD-UHFFFAOYSA-N;132.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287760;MM287760;C#CC=NOCCC(=C)F;FKMSWYVBLAUJCH-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287761;MM287761;C#CC=CCOCC(=N)N;ROBHZVCAKTZLET-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287762;MM287762;CCN=C(N)C(=O)O;KMWFECMUQONHQG-UHFFFAOYSA-N;116.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287763;MM287763;C#CC=CCCNC(C)=O;HJFZAKSXDXYTAB-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287764;MM287764;C#CC=CCCNC(N)=O;NBNMWVVSNSIESZ-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287765;MM287765;CCCNC(=O)N(N)CC;GMJUTNJWWAQXSN-UHFFFAOYSA-N;145.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287766;MM287766;C#CC=CCNNC(=N)N;AAZMNFZICKGOOZ-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287767;MM287767;CCC=NNCC(=O)CF;XTDLMEUVQZRSCH-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287768;MM287768;C#CC=CCCOC(N)=O;YNPSXMKOXROGOE-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287769;MM287769;C#CC=COCOC(=C)C;PALHTQPQOZBQON-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287770;MM287770;C#CC=COCOC(C)=O;RXKCTIZXCCSODL-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287771;MM287771;C#CC=COCOC(N)=O;WNYGQEBCIJBUPC-UHFFFAOYSA-N;141.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287772;MM287772;C#CC=NOCOC(=C)C;GXNDXWWYHDJMLJ-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287773;MM287773;CC(C)CCCC#CCN;OOYOGEIMPZBRJV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287774;MM287774;CCC#CCCCC(C)N;UBOBPSVUXWAHSM-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287775;MM287775;CC(N)CCCC#CCN;UCAMEUHEMQQMAM-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287776;MM287776;CCC#CCCCC(F)F;AIQRKDHQFDEQOJ-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287777;MM287777;CC(C)CNCC#CCN;NIOSLQGDMMKTOA-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287778;MM287778;CCC#CCNCC(C)N;JHBJDDLHUILTMS-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287779;MM287779;CC(N)CNCC#CCN;RWRJRFLREZFHLV-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287780;MM287780;CCC#CCOCC(C)N;FAJMOFPQBKOYAE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287781;MM287781;CC(N)COCC#CCN;UKVATXOQNBXTSQ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287782;MM287782;CC(N)COCC#CCO;RYKRDEXDVGFVAT-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287783;MM287783;CC(N)COCC#CCF;MUJGXKWFFOREPB-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287784;MM287784;CCC#CCOCC(C)O;ABZKQLNZPBZHSR-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287785;MM287785;CC(F)COCC#CCN;QDOCLNFAEMTCNG-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287786;MM287786;CC(F)COCC#CCO;OIBHKSVTBFVFNU-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287787;MM287787;NCC#CCOCC(F)F;FNKWCGKGIQUJIM-UHFFFAOYSA-N;149.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287788;MM287788;OCC#CCOCC(F)F;UZASVKPFHURPGD-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287789;MM287789;CN(C)CCCC#CCN;ZSSOQNOLACKACY-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287790;MM287790;CN(C)CCCC#CCO;BKGNXRLIVQPHDH-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287791;MM287791;C=CC#CCCCC(C)C;ROUKQWLDGQXVNH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287792;MM287792;CC(C)CCCC#CC#N;DXGJICMOJFSBSK-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287793;MM287793;C=CC#CCCCC(C)N;USIJMRMVBPCIPN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287794;MM287794;N#CC=CNCC(=O)CF;QEEBUDQRGMJJSP-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287795;MM287795;CC(F)CCCC#CC#N;LEYMAABSYONTAA-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287796;MM287796;C=CC#CCNCC(C)N;LMKPZYVGDPOTOE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287797;MM287797;O=CC#CCNCC(F)F;NTTGHUNBWXGMBE-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287798;MM287798;N#CC#CCNCC(F)F;GDTJQTCMKLKHAW-UHFFFAOYSA-N;144.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287799;MM287799;C=CC#CCOCC(C)C;IQTAZENINHPYGT-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287800;MM287800;CC(C)COCC#CC#N;WFWPCZBZIBIGOX-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287801;MM287801;C=CC#CCOCC(C)N;MCHYXOPYOMUDNY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287802;MM287802;C=CC#CCOCC(C)O;PCSGXFQRKFKDDZ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287803;MM287803;CC(O)COCC#CC#N;FRXXOSDYBJAFMW-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287804;MM287804;CC(F)COCC#CC=O;KVNFQQMIQLIIQH-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287805;MM287805;C=CC#CCOCC(F)F;CPTFWZCDWXWTGR-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287806;MM287806;O=CC#CCOCC(F)F;UCQKOEXJLMNOEA-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287807;MM287807;C=CC#CCCNC(C)C;GFANINPUHNPSRC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287808;MM287808;CC(C)NCCC#CC#N;IMLXGFRZDKYENU-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287809;MM287809;C=CC#CCCCN(C)C;WZVZJJRHIRDIEC-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287810;MM287810;CN(C)CCCC#CC=O;RZXLQYDBRBFPJL-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287811;MM287811;CN(C)CCCC#CC#N;PGCDYRAUCCEZOJ-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287812;MM287812;C#CC#CCCCC(C)C;PEDXRZWBKVQIAL-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287813;MM287813;C#CC#CCCCC(C)N;QVMAPCJXJKHILH-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287814;MM287814;C#CC#CCNCC(C)C;ZVLKQLRYXGALDW-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287815;MM287815;C#CC#CCNCC(C)N;JWPAXKWGYHKMMH-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287816;MM287816;C#CC#CCOCC(C)N;XFOKGMCEOWCBRG-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287817;MM287817;C#CC#CCOCC(C)O;UVDZKUCLXCPZII-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287818;MM287818;C#CC#CCOCC(F)F;YBRFVABGCNYYJQ-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287819;MM287819;C#CC#CCCNC(C)C;ZTKAGJWZQAYHBN-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287820;MM287820;C#CC#CCCOC(C)C;DHCOFTDBEQVINM-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287821;MM287821;C#CC#CCCCN(C)C;DZQYLEFHHABXOM-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287822;MM287822;C=C(C)CCCC#CCC;NSCDDHZFZADGKE-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287823;MM287823;CCC#CCCCC(C)=O;AIUPFQHGIFUCGM-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287824;MM287824;CC(=O)CCCC#CCO;XOFNPVKTHZLQDC-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287825;MM287825;CCC#CCCCC(=N)N;OOICJBJLFNGIHV-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287826;MM287826;NC(=O)CCCC#CCF;IHVSIXSVAQYFFG-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287827;MM287827;CCC#CCCCC(=O)O;IPRVZPNYGZUZHI-UHFFFAOYSA-N;140.18;1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287828;MM287828;C=C(C)CNCC#CCC;QNWNCXIPHQFCES-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287829;MM287829;C=C(C)CNCC#CCF;DKXKDVTTXJJUMV-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287830;MM287830;N=C(N)CNCC#CCF;WBFVRMNISMTWLF-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287831;MM287831;CCC#CCOCC(=N)N;FYTCHWRGGMZAGZ-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287832;MM287832;N=C(N)COCC#CCN;OZMOVSGMTHMMTM-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287833;MM287833;CCC#CCOCC(N)=O;JLFYEABARADZSY-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287834;MM287834;NCC#CCOCC(N)=O;LBRURGIUPXAOIW-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287835;MM287835;NC(=O)COCC#CCO;OANNBHXWVBTFQV-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287836;MM287836;NC(=O)COCC#CCF;UWSVOFAMAKEXJM-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287837;MM287837;C=NOC(C(=O)O)C(C)C;NQMGGHDWZMEWEW-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287838;MM287838;C=NOC(CCC)C(=O)O;DXNNXIKEAQFZPE-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287839;MM287839;Cn1nc(O)nnc1=O;AMMHEQMHRIHSBL-UHFFFAOYSA-N;128.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287840;MM287840;C=C(F)COCC#CCN;KEONZXJOGFMNGV-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287841;MM287841;C=C(F)COCC#CCO;NUMCURUCPRKHTH-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287842;MM287842;CC(=O)NCCC#CCN;SEGLFACFJLEBJO-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287843;MM287843;CC(=O)NCCC#CCF;LFDGTJGGFUTPHB-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287844;MM287844;NCC#CCCNC(N)=O;YVBGIIZUQHSPGX-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287845;MM287845;NC(=O)NCCC#CCF;ILDWPJQEPQZQJH-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287846;MM287846;CC(=N)NNCC#CCF;VJWDXFSJZGPQRD-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287847;MM287847;CC(=O)NNCC#CCN;TWEQEUDECWLKMO-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287848;MM287848;C=CC(=O)NCC#CCC;FNPRGFKWEKQAHN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287849;MM287849;CCC#CCNNC(=N)N;XDXWQPAIKNFGHK-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287850;MM287850;N=C(N)NNCC#CCN;YQNSMDYJRHEWAL-UHFFFAOYSA-N;141.18;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287851;MM287851;N=C(N)NNCC#CCO;HYBPCVMQXUTEMY-UHFFFAOYSA-N;142.16;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287852;MM287852;N=C(N)NNCC#CCF;IKCNLGBTYIDRNC-UHFFFAOYSA-N;144.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287853;MM287853;CCCC(=NN)C(=O)NC;WJFPROOHZUFCNL-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287854;MM287854;NCC#CCNNC(N)=O;WUCHJOCCBRXFLJ-UHFFFAOYSA-N;142.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287855;MM287855;NC(=O)NNCC#CCO;DRHQWRZLJXQRSI-UHFFFAOYSA-N;143.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287856;MM287856;NC(=O)NNCC#CCF;BUESQBMLQNFYTL-UHFFFAOYSA-N;145.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287857;MM287857;N=C(N)NOCC#CCN;OJNZKBLJZNHRPB-UHFFFAOYSA-N;142.16;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287858;MM287858;N=C(N)NOCC#CCO;VCKKXDLPXDMZSY-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287859;MM287859;N=C(N)NOCC#CCF;LJRXBIJYOCAPDU-UHFFFAOYSA-N;145.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287860;MM287860;NCC#CCONC(N)=O;HBHYMTZLQQXEGM-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287861;MM287861;NC(=O)NOCC#CCO;QILXQVUYDUGVTB-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287862;MM287862;NC(=O)NOCC#CCF;GYOQOIDUQCKKTR-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287863;MM287863;CCC#CCCOC(C)=O;RNUBXSIPDSOAFM-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287864;MM287864;CCC#CCCOC(=N)N;DPRXXJVMRLVOOR-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287865;MM287865;N=C(N)OCCC#CCF;TYASDXHKMDTOHO-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287866;MM287866;CCC#CCCOC(N)=O;SMSXMPTZAYIYHD-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287867;MM287867;NCC#CCCOC(N)=O;WECAKIZHCBITHA-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287868;MM287868;NC(=O)OCCC#CCO;JSUVEUSBPLNICS-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287869;MM287869;C=CC#CCCCC(=C)C;CYRKGOKOCUPSQW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287870;MM287870;C=C(C)CCCC#CC#N;ZVPZQHXXWJGOOO-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287871;MM287871;C=CC#CCCCC(C)=O;BVOLSLQXGQYQCI-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287872;MM287872;CC(=O)CCCC#CC=O;RZYOBFPCWUDWAV-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287873;MM287873;C=CC#CCCCC(=N)N;DWSSPADSRXIMLV-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287874;MM287874;N#CC#CCCCC(=N)N;NMNKYGNQRJXXMX-UHFFFAOYSA-N;135.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287875;MM287875;N#CC#CCCCC(=O)O;QGECORIXVMBQGV-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287876;MM287876;C=CC#CCNCC(=N)N;ZRIQBBAYCLHNIC-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287877;MM287877;C=C(F)CNCC#CC#N;XAVJLUJUUKCRRB-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287878;MM287878;C=CC#CCOCC(=C)C;BPLDGHADAGLUTL-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287879;MM287879;C=C(C)COCC#CC#N;SUJCFNGOECAQMA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287880;MM287880;CC(=O)COCC#CC=O;VIFAKCJMHAVVMO-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287881;MM287881;C=CC#CCOCC(=N)N;IMVYDLMQHGFQRS-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287882;MM287882;N=C(N)COCC#CC=O;CEGHUCLVSAMYKC-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287883;MM287883;C=CC#CCOCC(N)=O;JFMMUMFXCORBHZ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287884;MM287884;NC(=O)COCC#CC=O;LPDNWJOWWQASKA-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287885;MM287885;CC1(C=O)CC1C(=O)O;CEONISSVTGAKOS-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287886;MM287886;C=C(F)COCC#CC=O;KEWQTPULEYHONQ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287887;MM287887;CC(=N)NCCC#CC=O;RSSAEPIYDSKPHZ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287888;MM287888;C=CC#CCCNC(C)=O;ZLISIFFCDGPHFY-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287889;MM287889;CC(=O)NCCC#CC=O;NBBWUADOBCASQI-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287890;MM287890;N=C(N)NCCC#CC=O;DLAIQFCVYSNXOA-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287891;MM287891;NC(=O)NCCC#CC=O;BPUMVWVTOWDCAA-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287892;MM287892;C=CC#CCNNC(C)=N;VYJZNIJJBCTPKY-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287893;MM287893;CC(=O)NNCC#CC=O;RMGCBDAOYOLEQD-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287894;MM287894;CC(=O)NNCC#CC#N;KIPDVUHJTNZSKL-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287895;MM287895;C=CC#CCNNC(=N)N;CXNUTQMNWBGWJB-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287896;MM287896;N#CC#CCNNC(=N)N;UVUPUGSDWKYOLC-UHFFFAOYSA-N;137.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287897;MM287897;N#CC#CCNNC(N)=O;HPFMSYXJLNQOCQ-UHFFFAOYSA-N;138.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287898;MM287898;N=C(N)NOCC#CC=O;AATUGHQQZFGQBM-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287899;MM287899;N#CC#CCONC(=N)N;LCYRKDFLDLCOHX-UHFFFAOYSA-N;138.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287900;MM287900;C=CC#CCONC(N)=O;YPXHDRAYAYQHRE-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287901;MM287901;NC(=O)NOCC#CC=O;NVXGGTRYGSSJGL-UHFFFAOYSA-N;142.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287902;MM287902;C=CC#CCCOC(=C)C;HTUYIBZGYDATDV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287903;MM287903;C=C(C)OCCC#CC#N;JQLBRCVIYOFWGQ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287904;MM287904;CC(=O)OCCC#CC=O;UIQNFWYTQDYCNA-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287905;MM287905;CC(=O)OCCC#CC#N;UHWMGOYXPQSTSD-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287906;MM287906;C#CC#CCCCC(=C)C;HVFRNGHIHCZUHL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287907;MM287907;C#CC#CCCCC(C)=O;RAEZAAGEJQBGBF-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287908;MM287908;C#CC#CCOCC(=N)N;KLJHIQIXBVFVAO-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287909;MM287909;C#CC#CCOCC(N)=O;GILRUBGZBMWDCR-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287910;MM287910;C#CC#CCCNC(C)=O;KUYAVAWWBGXFTJ-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287911;MM287911;C#CC#CCCNC(=N)N;VTGCOVAVMCHNPR-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287912;MM287912;C#CC#CCNNC(=N)N;QCTCMHPBCIMBCY-UHFFFAOYSA-N;136.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287913;MM287913;C#CC#CCONC(C)=O;HPWUIVOTLZPDTO-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287914;MM287914;C#CC#CCCOC(=C)C;AVKUVVZYJHFQPU-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287915;MM287915;C#CC#CCCOC(N)=O;MQPYPFAHTDQKGT-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287916;MM287916;CCCC=CCCC(C)C;VBDVKUNADUIZPI-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287917;MM287917;CCCC=CCCC(C)N;DCIYTKHYCLPPOB-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287918;MM287918;Cn1c(N)c(F)c(N)c1O;FNVUIDBUHCHDML-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287919;MM287919;NCCC=CCCC(F)F;PVKWHSJKWGMMFD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287920;MM287920;CNCC=CCCC(C)C;MTEVFSXCZCDGEG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287921;MM287921;CNCC=CCCC(C)N;LARZQXKYVKYYGA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287922;MM287922;CCNN=CCCC(C)N;DSNUWRUHVCVSBR-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287923;MM287923;CCCN=CNCC(C)N;MVBBDXUJJASCPV-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287924;MM287924;CC(F)CN=CNCCN;MCJHOYSIAAEOFS-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287925;MM287925;CC(F)CN=CNCCF;JEWJWAJROZZDSJ-UHFFFAOYSA-N;150.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287926;MM287926;CCNN=CNCC(C)C;BIPKHUMPLCJEOK-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287927;MM287927;CC(N)CNN=CCCO;ZJCRFBSWKBYIAF-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287928;MM287928;COC(=NN)N(C)CCO;YBFLEXSUUBZZNC-UHFFFAOYSA-N;147.18;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287929;MM287929;CON=C(C)C(C#N)C#N;NRZSVTRWAIGCDC-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287930;MM287930;CCCC=COCC(C)C;LLSKEHDYYQMKJT-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287931;MM287931;CC(N)COC=CCCN;XVKWEBZHFKPHPH-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287932;MM287932;CC(N)COC=CCCO;CTHGPCZYZATRAE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287933;MM287933;CCOC=COCC(C)N;UDWSYMJWBDVCSF-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287934;MM287934;CCOC=COCC(C)O;MWOAIJXXYUVJQF-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287935;MM287935;CCOC=COCC(F)F;YNWBTVOONFQYRA-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287936;MM287936;CCON=COCC(C)C;ZCTZQZYODSCLDJ-UHFFFAOYSA-N;145.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287937;MM287937;C=NN(C=N)C(C)=CCO;DPHWCVAIVILYBB-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287938;MM287938;CN1CC2(C#N)NC2C1=O;JYJWDIKPWHPANW-UHFFFAOYSA-N;137.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287939;MM287939;CC(F)CON=CCCF;ZZDFPYPHMAIBHR-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287940;MM287940;CNCC=CCNC(C)C;SAOMEPQEGMYXEX-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287941;MM287941;CCCN=CNNC(C)C;IJPMXNDSHPMWCC-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287942;MM287942;CCCC=CCOC(C)C;IZAADBYMSPPILA-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287943;MM287943;CNCC=CCOC(C)C;LSIUOWRMZDBVIG-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287944;MM287944;CCNN=CCOC(C)C;FKQSWGVPMRGNRF-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287945;MM287945;CC(C)ON=CNCCF;GWTCXVXQRDIVGE-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287946;MM287946;CCCC=CCCN(C)C;FYGUWCVMIKEHBE-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287947;MM287947;CCON=CCCN(C)C;OYZSJRVASYLKRX-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287948;MM287948;C=CCC=CCCC(C)C;QLBDWSVYJFWQCF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287949;MM287949;CC(C)CCC=CCC=O;KBDPTLGVDXXCAC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287950;MM287950;CC(C)CCC=CCC#N;IRIMCFZHBSVUBR-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287951;MM287951;N#CCC=CCCC(F)F;VMNIAAXSKCAHOW-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287952;MM287952;CC(N)CCC=CNC=O;OYFGGBGHJWCCPM-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287953;MM287953;CC(F)CCC=CNC=N;OYTLBPJICYVHII-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287954;MM287954;CC(N)CCC=NNC=O;JMBULNVHHKDUPH-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287955;MM287955;CC(F)CCC=NNC=O;ORCQLWSPHYLFGU-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287956;MM287956;C=CCNC=NCC(C)O;FTZLNMIXWVHZDA-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287957;MM287957;CC(F)CN=CNCC=O;OIIBXLWWYDIINC-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287958;MM287958;N=CNNC=NCC(F)F;LTULDXPUUWATNX-UHFFFAOYSA-N;150.13;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287959;MM287959;C=Cc1n[nH]c(NC)c1C;RELIFRLHCQBSOD-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287960;MM287960;N#CC(=N)NCCO;QYGVBSGZXCOLNO-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287961;MM287961;C=NOC(C)CC(C)O;NBCZREAZYQVJIW-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287962;MM287962;N#CCC(N)=CC(N)=O;UIMTUAJPHDRULN-UHFFFAOYSA-N;125.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287963;MM287963;C=CNC=NNCC(C)O;XGZRLFGPONMTKU-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287964;MM287964;CN(C=N)N=CC(N)=O;BCDUXIRWFVEHRH-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287965;MM287965;NC(=O)C=CC(=O)CF;YNWZSVUEVWYHJE-UHFFFAOYSA-N;131.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287966;MM287966;CC(C)COC=CCC#N;QBQNNBGZXQYENJ-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287967;MM287967;CC(C)COC=CNC=O;YSWWLDQXWLVJEF-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287968;MM287968;CC(N)COC=CNC=N;DAFZATNFEOFDNN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287969;MM287969;CC(O)COC=CNC=N;FVKSYBPIFJYJJJ-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287970;MM287970;CC(O)COC=CNC=O;LRPFOKYSEBQVAN-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287971;MM287971;C=COC=COCC(C)N;MBOXEUQKIWAUGN-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287972;MM287972;C=COC=COCC(C)O;NPNFPXJRBPOMDK-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287973;MM287973;CC=NOCCC(C)O;FCKGCWHOKRHEPY-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287974;MM287974;CC(C)COC=NNC=O;SBLNWRGLXYFGTB-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287975;MM287975;CC(N)COC=NNC=N;QFFKUBGPEVZFPG-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287976;MM287976;CC(N)COC=NNC=O;VFXKUEUIHOGLIL-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287977;MM287977;CC(N)COC=NOC=O;SEOQEZWLJVZWNP-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287978;MM287978;O=CON=COCC(F)F;WTKRQXHEEJMEKX-UHFFFAOYSA-N;153.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287979;MM287979;C=NOC(=N)NCCO;FJGYASVVZQQNKS-UHFFFAOYSA-N;131.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287980;MM287980;CON=CN(C)CCO;NSVCUGAVQSPRPY-UHFFFAOYSA-N;132.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287981;MM287981;C=CCC=NOCC(F)F;DUKQQAQXXKFASO-UHFFFAOYSA-N;149.14;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287982;MM287982;CN(C=CC=O)CCO;GIPDKNOJMIYJPD-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287983;MM287983;C=COC=NOCC(F)F;HQXYXLMAYZNBOO-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287984;MM287984;O=COC=NOCC(F)F;QIULJMKNUKTYEY-UHFFFAOYSA-N;153.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287985;MM287985;CC(C)NCC=CCC#N;CDJPBSYJMBTJBH-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287986;MM287986;CC(C)NCC=CNC=N;BRGXYOFWDXIEQC-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287987;MM287987;CC(C)NCC=NNC=O;YAFQXYUVCOYXBE-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287988;MM287988;CC(C)ON=CNNC=N;NGQLADWFSKBBLV-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287989;MM287989;CN(C=NC=O)CCO;AKUZYLJFOFZYRP-UHFFFAOYSA-N;130.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287990;MM287990;CN(C)CCC=CNC=O;JNXMYOVZMIOGFE-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287991;MM287991;CN(C)CCC=NNC=O;FAJWJOKMACLMEB-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287992;MM287992;C=CNC=NCCN(C)C;GZWQZVUHYYDISE-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287993;MM287993;C#CCC=CCCC(C)F;NSLCIBGUGLLBIC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287994;MM287994;C#CCC=CCCC(F)F;DBOXKIPUODTJSE-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287995;MM287995;C#CCNC=NCC(C)C;PGSILGCJXYPIDU-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287996;MM287996;C#CCNC=NCC(C)N;XYALHTSHZHFLPS-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287997;MM287997;C=NN=CN(C)CCO;FSICPGGTEFCWHW-UHFFFAOYSA-N;129.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287998;MM287998;C#CCC=COCC(C)N;MJCSQFNKLPBQOR-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM287999;MM287999;C#CCC=NOCC(C)C;FUOZQEQEFCADKX-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288000;MM288000;CCCC=CCCC(=N)N;CFUJXNRVOKEEIR-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288001;MM288001;N=C(N)CCC=CCCF;KDXVRLPGFOHYTK-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288002;MM288002;CN(CCO)C(=N)C#N;ZGGVQIKDTCSAKN-UHFFFAOYSA-N;127.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288003;MM288003;NCCC=CCCC(N)=O;KBFXDJITUQWPCE-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288004;MM288004;CC(=CCO)N(N)C=O;GHQNLFUZVIZKHR-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288005;MM288005;CNc1nc(C)n(C)n1;CWOHLFKTZJVKSJ-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288006;MM288006;C=C(CC=O)C(=C)C(=O)O;OVCCFHLSNDBVAF-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288007;MM288007;O=C(O)CCC=CCCF;NUSPSROCYTUVRR-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288008;MM288008;COC(=NN)NCCO;YKCYDEBRQRFODT-UHFFFAOYSA-N;133.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288009;MM288009;C=C(C)CCC=NOCC;HZZXZBYVGSMEHX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288010;MM288010;CN=C(C#N)NCCO;PPGWWPALFTXWDD-UHFFFAOYSA-N;127.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288011;MM288011;CC(=O)CN=CNCCF;GRLPUZSSSZCLPX-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288012;MM288012;CCNN=CNCC(=N)N;OXFDEOYUHGRWJP-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288013;MM288013;C=NN(C=N)C=CCO;RSEYKMRJHYUXON-UHFFFAOYSA-N;127.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288014;MM288014;N=C(N)CNN=CCCN;FBFSEYVJSXSCLY-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288015;MM288015;N=C(N)CNN=CCCF;IRRACKRIFRISRY-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288016;MM288016;C=NN(C=O)C=CCO;CDSPAXXDHFAIFA-UHFFFAOYSA-N;128.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288017;MM288017;NCCC=NNCC(N)=O;JMVZIEWWMYHVOR-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288018;MM288018;C=C(F)CNN=CCCF;GJZOKXJBVVJSML-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288019;MM288019;CNCC=NNCC(=N)N;ABQSINHWIIJGIL-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288020;MM288020;COCC=NNCC(=N)N;GNROAPJFERJYOR-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288021;MM288021;CON=CC(C)(F)CC=O;WRODRSQBBAQVMD-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288022;MM288022;C=C(C)COC=CCCC;YZJDQPJOICMPFF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288023;MM288023;CCCC=COCC(=N)N;MJXIBBPVLOBMBS-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288024;MM288024;N=C(N)COC=CCCO;MYSIHYPMPOXRDA-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288025;MM288025;CCCC=COCC(N)=O;PYNMGHYGQZMFTE-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288026;MM288026;NCCC=COCC(N)=O;MWGSHMNELWKHEC-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288027;MM288027;NC(=O)COC=CCCO;OSUDSQQNJNPQJM-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288028;MM288028;CC(=O)OCC(C)C(=O)O;MQLMCMRCMGKYFQ-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288029;MM288029;CNCC=COCC(C)=O;CLXMBVJMNHTEIW-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288030;MM288030;CNCC=COCC(=N)N;ZUXZOLAIDWCLON-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288031;MM288031;COCC=COCC(=N)N;MDMJEYOGXLPLHK-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288032;MM288032;C#CC(CC=O)CC(=O)O;JIWGGFUVPAVOGD-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288033;MM288033;C=C(C)COC=NOCC;WWFUZXPWEJWSJE-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288034;MM288034;C=C(C)CON=CCCC;TUHVIXKXONPWCO-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288035;MM288035;O=c1nnn(O)c(=O)[nH]1;PCARKIWSPSOPRS-UHFFFAOYSA-N;130.06;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288036;MM288036;CNCC=NOCC(C)=O;BWMSRTJYAJJIFG-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288037;MM288037;COCC=NOCC(=N)N;KVZOSGPBKBNNDF-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288038;MM288038;C=C(F)C=NNCC(N)=O;WUHUJYMUICSYFL-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288039;MM288039;CC(=O)C=CN(C)CCO;PHCVQVFGQWSQNK-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288040;MM288040;CC(OC=O)C(C)C(=O)O;SNTRWYKYXGRABS-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288041;MM288041;CC(=N)NCC=CCCN;KNPVEGLKASINCJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288042;MM288042;CC(=N)NCC=CCCO;LBQDCMNZCTYNBR-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288043;MM288043;CC(C#N)=CN(C)CCO;AZERMJOBFKIJQJ-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288044;MM288044;CCCC=CCNC(=N)N;XDGDLJJXNYHNGD-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288045;MM288045;N=C(N)NCC=CCCN;VKQMSGXHUBJWEP-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288046;MM288046;N=C(N)NCC=CCCO;ODLRDYFJYSIDSV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288047;MM288047;CCCC=CCNC(N)=O;VSRWCPLAWFEBCF-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288048;MM288048;NC(=O)NCC=CCCO;OITREJHBBCDCGN-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288049;MM288049;CNCC=CCNC(C)=N;UHBZVUBPUBSCGD-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288050;MM288050;CNCC=CCNC(=N)N;QHRTYAMEAJBXOB-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288051;MM288051;CNCC=CCNC(N)=O;PAYFYQFPXAPNLQ-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288052;MM288052;CCNN=CCNC(C)=N;OPXUFRMFAOYDFG-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288053;MM288053;CCON=CCNC(C)=N;NVEBVHZKAHPHPU-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288054;MM288054;CCON=CCNC(=N)N;DAMWHINXEQUDPS-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288055;MM288055;CCNC(C#N)CC(C)O;HJJKAKZEBWIVFB-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288056;MM288056;CCCN=CNNC(C)=N;CDTAWIPWZNFMOV-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288057;MM288057;CC(=N)NNC=NCCO;WIJONJRLRWHYNK-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288058;MM288058;N=C(N)NNC=NCCN;HSGVNCBRDYKGRS-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288059;MM288059;N=C(N)NNC=NCCO;UKHVLHDWXPVELW-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288060;MM288060;CCNN=CNNC(=N)N;GXOUFRAWDLXVLT-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288061;MM288061;C#CC(CC(C)O)NN=C;NZHDLGYPBDJJNM-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288062;MM288062;CCON=CNNC(=N)N;IFUYNHUNNNUOGJ-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288063;MM288063;C=NN(CC=O)CC(N)=O;KJRQCFZMFOVARB-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288064;MM288064;CCNN=CONC(C)=N;CRQBFRBIEZXRDZ-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288065;MM288065;CCNN=CONC(=N)N;YRDSDXXNNAHUFM-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288066;MM288066;C=C(C)OCC=CCCC;UPJQRVXUPUFZLC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288067;MM288067;CC(=O)OCC=CCCF;WTYDWXZGDTVWFD-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288068;MM288068;CCCC=CCOC(=N)N;VNLNVLCEPJEXPG-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288069;MM288069;CCCC=CCOC(N)=O;LTTYGKSLELGMLN-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288070;MM288070;NCCC=CCOC(N)=O;NHYZZBWIXKZURU-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288071;MM288071;NC(=O)OCC=CCCF;DLLFPEADWHHZMD-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288072;MM288072;CNCC=CCOC(N)=O;ZXOFXGQMJUUVCL-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288073;MM288073;C=C(C)OCC=NOCC;QWDWPJIYWNTUPP-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288074;MM288074;N=C(N)ONC=NCCN;OMGLPAOJLQGFRQ-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288075;MM288075;CCC=NOCCC(C)O;FTIUWIHNUUYXEH-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288076;MM288076;C=CC=NOCCC(C)O;TVIJRNLTCJXARK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288077;MM288077;NC(=O)C=CCC#CC=O;YOIJFGYEDCWKNA-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288078;MM288078;CCON=CN(C)CCO;ZCZPRQQTRJZIGH-UHFFFAOYSA-N;146.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288079;MM288079;C=C(C)CCC=CCC#N;LKPGRBUGLMOIPV-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288080;MM288080;N=C(N)CCC=CCC=O;HPJKBVANEASSIC-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288081;MM288081;CN(C=NOC=O)CCO;RINFWLAEWYSMDL-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288082;MM288082;C=C(CF)OC=CC(=O)O;ILHMSGIXRGADKN-UHFFFAOYSA-N;146.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288083;MM288083;N#CCC=CCCC(=O)O;TUUKCIWFDZWURU-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288084;MM288084;N=C(N)CCC=COC=O;CBUAUXQUBVVSFO-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288085;MM288085;NC(=O)CCC=COC=O;NGRFBCVASVRVBD-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288086;MM288086;C=NN=C(C)N(C)CCO;RUBUXVMVDSTNCZ-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288087;MM288087;O=c1nncc2[nH][nH]nc1-2;GPKMNWXZQKJCME-UHFFFAOYSA-N;137.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288088;MM288088;C=CCNC=NCC(=C)C;YFLMTVRBGSZFSK-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288089;MM288089;N#CCNC=NCC(=N)N;LCJYJDVTISUSIJ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288090;MM288090;C=CCNC=NCC(N)=O;INQAWGWXXBXPTQ-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288091;MM288091;C=C(C)CN=CNOC=O;BXEKFMGNLBFJPY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288092;MM288092;C=C(OC)C(=C)C(=O)O;BAANONXNUWBKTA-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288093;MM288093;CCNC(=O)N(C)N(C)C;WONMVGVMPYMNKQ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288094;MM288094;C=CCC=NNCC(=N)N;MKXPHHNYLZPMQI-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288095;MM288095;N=C(N)CNN=CCC=O;GHAOIEXITUDKTC-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288096;MM288096;C=CNC=NNCC(C)=O;CYPIEUBLXUTTOY-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288097;MM288097;CN(CCO)C(=N)C(F)F;FHDLEIIEOHGNDH-UHFFFAOYSA-N;152.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288098;MM288098;CNN=C(CCO)CCO;HGGRODDWAFGMIO-UHFFFAOYSA-N;146.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288099;MM288099;C=NOC=NNCC(=N)N;VABUHHSRYGYNOR-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288100;MM288100;NN=C(NN)OCC(N)=O;OAASNNCFNVZCPY-UHFFFAOYSA-N;147.14;-2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288101;MM288101;C=CCC=COCC(=C)C;XCGPAMAOMQHLHX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288102;MM288102;NC(=O)COC=CCC=O;VCVAVUCQGQVJJE-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288103;MM288103;C=C(F)COC=CCC#N;LMUIHHVZLDPTPB-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288104;MM288104;C=C(C)COC=CNC=N;PSDYREQRGCSKND-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288105;MM288105;CC(=O)COC=CN=CN;JYSHHLHVXXPERK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288106;MM288106;N=C(N)COC=CNC=O;WJWPHNIMYWMVLE-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288107;MM288107;N=CNC=COCC(N)=O;FNGIPXWSTFXWIQ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288108;MM288108;NC(=O)COC=CNC=O;YQLGKJZKNJCQOM-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288109;MM288109;C#CC(O)CCC(=O)O;NYDLEGHRFMCQKF-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288110;MM288110;C=C(F)COC=CNC=N;SSCWBBHIFNYUQQ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288111;MM288111;C=C(F)COC=CNC=O;VVKFUMFKSFIQAM-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288112;MM288112;N=C(N)COC=COC=O;JVBVHKVAUFZWON-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288113;MM288113;O=c1oc(CO)c(O)n1O;LFKCMORKMXBLOH-UHFFFAOYSA-N;147.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288114;MM288114;C=COC=COCC(=C)F;ABOOMDYJAGFWFJ-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288115;MM288115;C=C(F)COC=COC=O;QJHMDZNUDDEVLC-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288116;MM288116;C#CC(F)C(=N)NCCO;RZUGDXLDYQDTFQ-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288117;MM288117;C=C(C)COC=NNC=O;BBDKEAROCYTGBE-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288118;MM288118;CC(=O)COC=NNC=O;ZXTYDWUXEOCVKT-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288119;MM288119;C#CC(O)C=CCC(=O)O;ILLMPXFNGOIQNQ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288120;MM288120;N=C(N)COC=NOC=O;VCRNTCNJWWUGQI-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288121;MM288121;NC(=O)COC=NOC=O;YNBHGHOFZYDCRS-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288122;MM288122;COC(=O)N(N)C=CCO;MYMHHKUXKLTIJG-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288123;MM288123;CNN(C)C(=O)C=CCO;YQFGYNOHFIBIAE-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288124;MM288124;N=CN(N)C(=O)C=CCO;XBRTYKGHXPOSBU-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288125;MM288125;CC(C(=O)O)C(O)CC=O;KUMPREYIUDAXDA-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288126;MM288126;N=C(N)CON=COC=O;QFFBDXLNKAKRLB-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288127;MM288127;NN(C=O)C(=O)C=CCO;VDDXYTGTWMXLAE-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288128;MM288128;C=COC=NOCC(=C)F;ZJQMWPRBVCIDKZ-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288129;MM288129;CCC(=CCO)N(N)C=O;VTCVQBJDMISNJY-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288130;MM288130;C=NOC=NOCC(=N)N;DAIXAJUPJMPJGI-UHFFFAOYSA-N;144.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288131;MM288131;NN=C(NCCO)OC=O;UKYOLKRJGIHYPG-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288132;MM288132;C=NOC=NOCC(=C)F;RMYSMVRVUDDIJC-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288133;MM288133;C=CCC=CCNC(C)=O;VHGQTSDRBTWGIS-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288134;MM288134;N=C(N)NCC=CCC=O;CPLKUWLNUVFZGH-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288135;MM288135;NC(=O)NCC=CCC=O;DSRIYCNUYOBIDI-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288136;MM288136;C=NOC(=NC)NCCO;UAZOERMFIAZZJV-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288137;MM288137;N=C(N)NCC=NNC=O;CBUYOOZUTRMESI-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288138;MM288138;CC(=N)NCC=NOC=O;SAXWXWRUXMWHDP-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288139;MM288139;C=CCN=CNNC(C)=N;CKZYPHYRXLIIMS-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288140;MM288140;CC(=N)NNC=NCC#N;XHLNLYIJGBVASK-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288141;MM288141;CC(=O)NN=CNCC#N;YWVOSGYYPJERCL-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288142;MM288142;N=C(N)NN=CNCC=O;HSVVBZSPOPTGAH-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288143;MM288143;CC(=N)NNC=NNC=O;PCHZOPYDIMOHNQ-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288144;MM288144;N=CNNC=NNC(=N)N;KINFZLODIMWNFA-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288145;MM288145;N=CNNC=NNC(N)=O;YJPQRCWWDHJGSC-UHFFFAOYSA-N;144.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288146;MM288146;NC(=O)NN=CNNC=O;UJSKXEYZDSXNAR-UHFFFAOYSA-N;145.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288147;MM288147;N=C(N)NN=CNOC=O;KUDSOSBPBGIEBC-UHFFFAOYSA-N;145.12;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288148;MM288148;NC(=O)NN=CNOC=O;WDUKSHFECSIRCL-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288149;MM288149;C=CCC=CCOC(=C)C;PPGZAOXFWGGSMI-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288150;MM288150;CC(=O)OCC=CCC=O;YBYIAXXVOZWMFI-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288151;MM288151;C=CCC=CCOC(=N)N;WJIANPOMBKSGRZ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288152;MM288152;C=COC=CCOC(C)=O;BQVKVHUYTFAQLL-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288153;MM288153;C=COC=CCOC(=N)N;IASBKRZEUJKVTH-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288154;MM288154;CC(=O)OCC=NNC=O;GFTVRZRJGRBLEY-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288155;MM288155;N=C(N)OCC=NNC=O;MOWHMDYOTXMLSS-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288156;MM288156;C=NOC(=NN)NCCO;OZAOISUWHOOQOH-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288157;MM288157;N=CNNC=NOC(=N)N;YVSVRAWLCWNQCD-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288158;MM288158;N=CNNC=NOC(N)=O;VRHRRASOEUCTOZ-UHFFFAOYSA-N;145.12;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288159;MM288159;NC(=O)ON=CNNC=O;NSQQKVWEPXZOMH-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288160;MM288160;NC(=O)ON=CNOC=O;YVKGRTJVEUMIEM-UHFFFAOYSA-N;147.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288161;MM288161;C#CCC=CCCC(=N)N;HMGUHZUGMOPUKB-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288162;MM288162;CCN(C=CC=O)CCO;FDUCJVDJOLQQEW-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288163;MM288163;C#CCN=CNCC(=N)N;KZVXRPZTGLPPRA-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288164;MM288164;C#CCC=NNCC(=N)N;TWPQHAIYIDQAHG-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288165;MM288165;C#CCC=COCC(=N)N;DDHJSCXAQUFDKX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288166;MM288166;C#CCC=COCC(=C)F;JILNDXMDBLHAAB-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288167;MM288167;C#CCC=NOCC(=C)C;CTKFCFLRYCQWEH-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288168;MM288168;CC=NN(C=N)C=CCO;DOZYOAQWACYQIE-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288169;MM288169;C#CCC=NOCC(=C)F;UJUVECZLIHHYPK-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288170;MM288170;C#CCC=CCNC(C)=O;JAIIZHCNXDGJIQ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288171;MM288171;C#CCNC=NNC(=N)N;AAKPCWGSMVWNTP-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288172;MM288172;C#CCC=CCOC(C)=O;CFWKXPBRUOBBJR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288173;MM288173;CC(N)CCC=CC=CF;HMEVKQHLGVIFMS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288174;MM288174;CNN=C(CF)NCCO;MUGPXTVDXQOJLC-UHFFFAOYSA-N;149.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288175;MM288175;CC(N)CN=CC=CNO;ZQNSCANTRGVGIF-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288176;MM288176;CC(O)CN=CC=CNN;ZIHBUVLGKMSNFV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288177;MM288177;CC(F)CN=CC=CNO;HICWDTLWCIPPRM-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288178;MM288178;CNN=C(NCCO)OC;RTTKVOJKTOHVLY-UHFFFAOYSA-N;147.18;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288179;MM288179;CC(O)CNN=CC=NO;CYJBUINBRWXOAV-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288180;MM288180;CON=C(NCCO)OC;MDBJXYUVOKLTBU-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288181;MM288181;COC(=NC=N)NCCO;POWSZXMZOJJTMD-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288182;MM288182;CC=NN=COCC(C)N;OZQFNOQZOMRWTQ-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288183;MM288183;CC=NN=COCC(C)O;KGVZNDOHRCVZAY-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288184;MM288184;CC=NN=COCC(C)F;RVOSRMGRNDUPLO-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288185;MM288185;CC=NN=COCC(F)F;YQXYEDBAVZMYJB-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288186;MM288186;CC(N)CON=CC=CN;HTHBIJDUHDGVSR-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288187;MM288187;COC(=NC=O)NCCO;DCKOMQUVMJPQNS-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288188;MM288188;CNN=C(C=O)NCCO;DJTGJRGKCCYCAS-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288189;MM288189;CC=NN=CCCN(C)C;UHAKHYVNQNDHHE-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288190;MM288190;CC(=O)CCC=CC=CF;BFJFMHHXTYYKRB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288191;MM288191;CC=CC=CCCC(=N)N;OVJLBHFMCZYZON-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288192;MM288192;N=C(N)CCC=CC=CF;DGDBGASGWWEDKV-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288193;MM288193;CNN=C(C#N)NCCO;NAARCECLXRIEAE-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288194;MM288194;NC(=O)CCC=CC=CF;UFOAXUHOGFCKSA-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288195;MM288195;O=C(O)CCC=CC=CF;MTSNQAUHWVQIQG-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288196;MM288196;NC(=O)CCC=CC=NO;QBNGKXWURHDSIU-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288197;MM288197;CON=C(C#N)NCCO;WYMMFNYHOGWRPS-UHFFFAOYSA-N;143.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288198;MM288198;CC=NN=CCCC(=N)N;PWGVXCKZRKXGNU-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288199;MM288199;COCCN(C=N)C(N)=O;NUTQVUGUXFBNHJ-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288200;MM288200;N=C(N)CN=CC=CNO;MTDOZSMCKRRDLU-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288201;MM288201;N=C(N)CNC=NC=NN;UQXOBGMWMPVSCT-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288202;MM288202;N=C(N)CNC=NC=NO;ROAIKQFVGNLRMN-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288203;MM288203;CC=NN=CNCC(=N)N;JDWKLLWLPIANEW-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288204;MM288204;C=CC(ON=CC)C(N)=O;ANAALXSBXHAPKK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288205;MM288205;N#CCC(=NO)C(F)=CF;QJGZCHNVYQMBSY-UHFFFAOYSA-N;146.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288206;MM288206;C=C(C)CNN=CC=CF;YAONYGPJHLRTOA-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288207;MM288207;N=C(N)CNN=CC=CF;NWCFWCYQNSRFJY-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288208;MM288208;NC(=O)CN=NC=CNO;NJUJSDILECAJMZ-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288209;MM288209;C=C(F)COC=CC=NO;IHWXYBZUSAAUDS-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288210;MM288210;C=C(F)COC=NN=CC;LONNAXLJBIKTBR-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288211;MM288211;C=C(C)CON=CC=CC;LTVFZHNHCXQILW-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288212;MM288212;N=C(N)CON=CC=CN;BNGIOGQFTMSHQU-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288213;MM288213;N=C(N)CON=CC=CF;KQCGOVIBAQPURP-UHFFFAOYSA-N;145.14;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288214;MM288214;CC(=CCO)N(C=N)C=O;NWAMFTVCJHXHNO-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288215;MM288215;CC(=N)NCC=CC=CF;UPGCJIXJNZOGIN-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288216;MM288216;CC=CC=CCNC(C)=O;RPFPZJLLRVCGAR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288217;MM288217;CC=CC=CCNC(=N)N;SRNGTORXMYMENG-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288218;MM288218;CC=CC=CCNC(N)=O;HUEWLORERNCWCV-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288219;MM288219;CC(=O)NCC=CC=NO;PIHYJPSLUOHLSR-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288220;MM288220;N=C(N)NCC=CC=NN;OSSCXGSAKTZJEJ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288221;MM288221;NC(=O)NCC=CC=NO;AZPJZLJUKAIWBZ-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288222;MM288222;CC=NN=CCNC(C)=O;BJYGLKMZRJBIAR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288223;MM288223;N=C(N)NNC=CC=NO;VFGHAJBFPOHERP-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288224;MM288224;CN=CN=CNNC(C)=N;IDJLMEURWXKUCB-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288225;MM288225;CC(=N)NNC=NC=NN;ATOBUMXJUJAQBB-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288226;MM288226;CC(=N)NNC=NC=NO;NZMNLSVJHVXVJA-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288227;MM288227;N=C(N)NNC=NC=NN;UKYOERYQMQMFFS-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288228;MM288228;COC(=NN)C(C)=CCO;NDYBABQBQUPDOG-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288229;MM288229;CN=C1CN(CC#N)C=N1;CMTRDMHEXNIVBT-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288230;MM288230;C#CCC1NC1C(=O)NC;PVROAXPTNQJLCG-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288231;MM288231;CC=NN=CNNC(=N)N;CBIUEFAENPMNOF-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288232;MM288232;OCCN1CC1;VYONOYYDEFODAJ-UHFFFAOYSA-N;87.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288233;MM288233;CC=NN=CONC(C)=N;UAYFMZNPUAXKAH-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288234;MM288234;CC=CC=CCOC(=N)N;ARMZLUJMCPMOJR-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288235;MM288235;N=C(N)OCC=CC=CF;JRERLIUCIVUAQJ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288236;MM288236;CC=CC=CCOC(N)=O;ZKXWXGRDYJROEO-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288237;MM288237;NC(=O)OCC=CC=CF;JFWCHNCAERKBOW-UHFFFAOYSA-N;145.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288238;MM288238;N=C(N)OCC=CC=NO;OAMMHBIWFIEBQA-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288239;MM288239;CC1CN1CCO;RJMILGYZNQBCKS-UHFFFAOYSA-N;101.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288240;MM288240;O=C1CN(CCO)C1;IOYRTGVIBHCOGD-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288241;MM288241;CC=NN=CCOC(=N)N;JGQBMSMIQDUCDY-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288242;MM288242;CC=NN=CCOC(N)=O;BHSIRRFKJLQFNB-UHFFFAOYSA-N;143.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288243;MM288243;NN(C=O)C=CCO;JTPBFYDCWDYPIR-UHFFFAOYSA-N;116.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288244;MM288244;Cc1ccc(N=N)[nH]1;VXVIUZMPTHJDSU-UHFFFAOYSA-N;109.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288245;MM288245;OCC=C1C=NNC1;YZNZGJVWPVSDKE-UHFFFAOYSA-N;112.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288246;MM288246;CC#CC=CCNC(N)=O;FZUMKCPLVCAVTE-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288247;MM288247;CCCC#CCCC(C)C;PPAFZGNCAFJAEV-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288248;MM288248;CC(C)CCC#CCCN;RZPMHSKZYYWWST-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288249;MM288249;CC(O)CCC#CCCN;PFWKXPYSIFHGLE-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288250;MM288250;CCCC#CCCC(F)F;SQTOSELBFRTHSE-UHFFFAOYSA-N;146.18;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288251;MM288251;CNCC#CCCC(C)F;GUNBROLQVYRNAH-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288252;MM288252;CCCC#CCNC(C)C;WROIJBKQVSRBHX-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288253;MM288253;CC(C)NCC#CCCN;DVPUKWIYVPKBTI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288254;MM288254;CCCC#CCOC(C)C;VLIVHVOYGUITPP-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288255;MM288255;CC(C)OCC#CCCN;HHIZIGZVGUYBNX-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288256;MM288256;CCCC#CCCN(C)C;ZDLLGQNBXPWFRH-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288257;MM288257;C=CCC#CCCC(C)C;SJDANOQEGNARCD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288258;MM288258;CC(C)CCC#CCC#N;MQVLSKMXMMNFAF-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288259;MM288259;C=CCC#CCCC(C)N;YTSKVPVNUUGACB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288260;MM288260;OCC=C1C=NOC1;RHVJZNQNTGBQLI-UHFFFAOYSA-N;113.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288261;MM288261;CON=CNCCO;DBOQNKJLOLPCOK-UHFFFAOYSA-N;118.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288262;MM288262;CC(O)CCC#CCC#N;PVPZZOIOULQPES-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288263;MM288263;C=CCC#CCCC(C)F;ADSUVXKHYMWGNV-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288264;MM288264;CC(F)CCC#CCC#N;RRMCRFVWEDYHDZ-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288265;MM288265;C=CCC#CCCC(F)F;RNRMJYBXELZYFL-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288266;MM288266;O=CCC#CCCC(F)F;NJHZCFHPUSMTJG-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288267;MM288267;N#CCC#CCCC(F)F;CGGJPYLSGSGUSK-UHFFFAOYSA-N;143.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288268;MM288268;C=CCC#CCNC(C)C;MLMHBTWDRZXJCY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288269;MM288269;CC(C)NCC#CCC=O;AVCKDEYUEJQZNA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288270;MM288270;CC(C)NCC#CCC#N;WBBIPTRQSOVBTL-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288271;MM288271;C=CCC#CCOC(C)C;VVKAJAYZITXNED-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288272;MM288272;CC(C)OCC#CCC=O;MGWCBQYTYIHGHP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288273;MM288273;CC(C)OCC#CCC#N;LNTCJWFXWVAKFW-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288274;MM288274;C=CCC#CCCN(C)C;MEAZZEKHBZOKQI-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288275;MM288275;CN(C)CCC#CCC#N;YSCSWRISMRYYSX-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288276;MM288276;C#CCC#CCCC(C)C;JVTBAFGSRTVIGC-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288277;MM288277;C#CCC#CCCC(C)N;JRFMMUYHBSOYKG-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288278;MM288278;OCCN1CC1CF;FLVWSFKTMUDNCS-UHFFFAOYSA-N;119.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288279;MM288279;C#CCC#CCCC(C)F;VLXKRTFEYSCIID-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288280;MM288280;C#CCC#CCCC(F)F;KDAMFHQYURSZRT-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288281;MM288281;C#CCC#CCNC(C)C;KCUUXGLYJDGJIU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288282;MM288282;C#CCC#CCOC(C)C;BGKTXZVTBAEGFD-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288283;MM288283;C#CCC#CCCN(C)C;RNLMVHHTTBEWRR-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288284;MM288284;C=C(C)CCC#CCCC;RMRGLIMZBHDURR-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288285;MM288285;C=C(C)CCC#CCCN;IUVHBSOGKNYHJC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288286;MM288286;C=C(C)CCC#CCCO;BQUBREVHPGXFEJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288287;MM288287;CCCC#CCCC(C)=O;KHGADPZWZGCLSA-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288288;MM288288;CC(=O)CCC#CCCO;GGZFEYZUNAIBNL-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288289;MM288289;CCCC#CCCC(=N)N;YHCLKPICYMFNPI-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288290;MM288290;N=C(N)CCC#CCCO;LWJJNXPUHMUPIN-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288291;MM288291;CCCC#CCCC(N)=O;KANSZFMNZKHRCX-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288292;MM288292;NCCC#CCCC(N)=O;BRLXNFQNHDPZCO-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288293;MM288293;CCCC#CCCC(=O)O;AINBQNWFRDIHRB-UHFFFAOYSA-N;140.18;1.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288294;MM288294;O=C(O)CCC#CCCF;NPSAMHPLRFXQQK-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288295;MM288295;COC(=O)CC(C#N)=NO;MOOFBTXCQYZOQM-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288296;MM288296;CCCC#CCNC(C)=N;UCMQDKUPGWUPON-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288297;MM288297;CC(=N)NCC#CCCN;XRWINPQLMDOFSE-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288298;MM288298;CCCC#CCNC(C)=O;BIXHDCVQMTVSDS-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288299;MM288299;CCCC#CCNC(=N)N;IPBYVUVYQVWCGC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288300;MM288300;CCCC#CCNC(N)=O;KXXZUOBFBRURHQ-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288301;MM288301;NCCC#CCNC(N)=O;VOHMCWBAMVNHMU-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288302;MM288302;CNCC#CCNC(C)=O;NWZMHDNNUBEREH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288303;MM288303;COCC#CCNC(=N)N;WULSOACNSIBPFG-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288304;MM288304;COCC#CCNC(N)=O;CRIYTJLDNYNILZ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288305;MM288305;C=C(C)OCC#CCCC;KDUXWQQWERHMJT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288306;MM288306;CCCC#CCOC(C)=O;LSVBUFCIUHQGQF-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288307;MM288307;CCCC#CCOC(=N)N;OCSFTRQZKXUHJM-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288308;MM288308;N=C(N)OCC#CCCN;AUYPHHJGUVMMJQ-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288309;MM288309;N=C(N)OCC#CCCF;PLJXWYRVPPUIDR-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288310;MM288310;CCCC#CCOC(N)=O;VTGXJJDGSVKWCV-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288311;MM288311;C=C(C)OCC#CCOC;XWWOMCZFPKVNTG-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288312;MM288312;COCC#CCOC(C)=O;JNHFKFCWOWUSBX-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288313;MM288313;C=CCC#CCCC(=C)C;YAYMTEBKAZOOKA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288314;MM288314;C=C(C)CCC#CCC#N;XDMQTABRPXCILN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288315;MM288315;C=CCC#CCCC(C)=O;YFVPCRSIXDSVBD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288316;MM288316;CC(=O)CCC#CCC#N;JCTLKSFYHBJZRC-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288317;MM288317;C=CCC#CCCC(=N)N;GMQLWMMGKSEQAY-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288318;MM288318;C=CCC#CCCC(N)=O;QSZPRVDZAHRSHG-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288319;MM288319;C=CCC#CCCC(=O)O;HOOMLEDOKDJUJT-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288320;MM288320;N#CCC#CCCC(=O)O;VUQDHAPWBRNVJY-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288321;MM288321;C=CCC#CCCC(=C)F;ADEOKGFDHNKZPK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288322;MM288322;C=C(F)CCC#CCC#N;MMMKMYBKTIDQJG-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288323;MM288323;C=CCC#CCNC(C)=N;DHUAEXKUOWKBRW-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288324;MM288324;CC(=N)NCC#CCC=O;ALQIQCUNMVLFSF-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288325;MM288325;C=CCC#CCNC(C)=O;HDRJCTYEMORZAQ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288326;MM288326;CC(=O)NCC#CCC#N;YHRNULHHJMZGLB-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288327;MM288327;C=CCC#CCOC(=C)C;DMMQMYGDIYSANA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288328;MM288328;C=C(C)OCC#CCC#N;QAADVPICUSORSN-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288329;MM288329;C=CCC#CCOC(C)=O;CHSGCYURDBNTTB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288330;MM288330;C=CCC#CCOC(=N)N;LYYDFATWKCKVQB-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288331;MM288331;C=CCC#CCOC(N)=O;VKOPBMJABBLNLD-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288332;MM288332;C#CCC#CCCC(=C)C;ZSSOUSFIONXJEK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288333;MM288333;C#CCC#CCCC(C)=O;QPHNMGYVBUONNK-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288334;MM288334;C#CCC#CCCC(=N)N;AIVNVAMZAORBLC-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288335;MM288335;C#CCC#CCCC(=O)O;FAMBNGRXTNIMGV-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288336;MM288336;C#CCC#CCCC(=C)F;HRZMBYQOFJHBRM-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288337;MM288337;C#CCC#CCNC(C)=N;PIDFSXLYIQTDQA-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288338;MM288338;C#CCC#CCOC(=C)C;SZVQZJUKTFBIIK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288339;MM288339;C#CCC#CCOC(C)=O;OCOJEGJVGMAUHV-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288340;MM288340;C#CCC#CCOC(=N)N;IXCYTJKWXLHOQF-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288341;MM288341;CC=CC#CCCC(C)C;AJYJLXVUKIPFNY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288342;MM288342;CC=CC#CCCC(C)N;XUMQFYJSUNDBJE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288343;MM288343;C=CC1CN1CCO;UCJKLHSWBZPBAP-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288344;MM288344;CC=CC#CCCC(C)F;WFCRFXMCYWMGOC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288345;MM288345;CC(C)CCC#CC=NN;RIYCVOMCZFIREL-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288346;MM288346;O=CC1CN1CCO;SNVFXLHOUFMEGX-UHFFFAOYSA-N;115.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288347;MM288347;CC(F)CCC#CC=NN;CVEPTZUYDKNIIH-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288348;MM288348;CC=CC#CCNC(C)C;YBZNXQAZKAAVAY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288349;MM288349;CC=CC#CCOC(C)C;JGYMXZUXRPCNLY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288350;MM288350;CC(C)OCC#CC=NN;FOXLRIXVYNCLEY-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288351;MM288351;CC=CC#CCCN(C)C;OBXZFZTXPTYVIG-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288352;MM288352;C=C(C)CCC#CC=CC;SAYQAYFCNUAVMS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288353;MM288353;CC=CC#CCCC(C)=O;LINCUTIISUEUGV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288354;MM288354;CC=CC#CCCC(=N)N;DCWCBXASOWVGKN-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288355;MM288355;CC=CC#CCCC(N)=O;DBAAKRWGSYWEIF-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288356;MM288356;NC(=O)CCC#CC=CF;NACGQSPHDYEPQW-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288357;MM288357;CC=CC#CCCC(=O)O;OLUVXNMFGCXCQO-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288358;MM288358;C=C(F)CCC#CC=CC;WILXCWJAPDSWAU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288359;MM288359;C=C(C)CCC#CC=NN;GKGZFSXRBNFKPV-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288360;MM288360;N=C(N)CCC#CC=NO;SRCORGORKSTCAH-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288361;MM288361;CC=CC#CCNC(C)=N;MYIYZZKSEKBETD-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288362;MM288362;CC=CC#CCNC(C)=O;IPRBZCRPOUOCMQ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288363;MM288363;CC=CC#CCNC(=N)N;XNKFEAOBEJJHCM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288364;MM288364;CC=CC#CCNC(N)=O;CRCXVAQEMKVFFM-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288365;MM288365;C=C(C)OCC#CC=CC;VOFQDCVCHSMOFP-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288366;MM288366;CC=CC#CCOC(C)=O;VRIPBLGIWAJDHH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288367;MM288367;CC=CC#CCOC(=N)N;BSIINWGUQFEOHJ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288368;MM288368;CC=CC#CCOC(N)=O;VEEOWKLNQOBILR-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288369;MM288369;NC(=O)OCC#CC=CF;OVCWPOWGEIKWNO-UHFFFAOYSA-N;143.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288370;MM288370;CC#CC#CCCC(C)C;ANYKCXBJQVOMGB-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288371;MM288371;CC#CC#CCCC(C)N;UORHFDBXAPZWEP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288372;MM288372;N#CC1CN1CCO;GCXHIGMSSJLGRF-UHFFFAOYSA-N;112.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288373;MM288373;CC#CC#CCCC(C)F;IOKNEZOMCPPXKT-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288374;MM288374;CC#CC#CCCC(F)F;GDBGXFBIUDVFQZ-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288375;MM288375;CC#CC#CCNC(C)C;JXQNVXDDBXCGBB-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288376;MM288376;CC#CC#CCOC(C)C;CIGKSHZMOREHHJ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288377;MM288377;CC#CC#CCCN(C)C;WDOTURABLQHBRE-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288378;MM288378;C=C(C)CCC#CC#CC;CTBJEIASMDNGIJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288379;MM288379;CC#CC#CCCC(C)=O;BWWCGKCXHLKGSX-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288380;MM288380;CC#CC#CCCC(=N)N;PNXTUPRRSLJGCC-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288381;MM288381;CC#CC#CCCC(N)=O;QJLTXCRBIGHQKR-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288382;MM288382;CC#CC#CCCC(=O)O;DRRPKXNYDHIICZ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288383;MM288383;C=C(F)CCC#CC#CC;KBPDFNBAYOBMHO-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288384;MM288384;CC#CC#CCNC(C)=N;JVCHSXNOFNYRJX-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288385;MM288385;CC#CC#CCNC(C)=O;QYTWNMIABNQWIP-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288386;MM288386;CC#CC#CCNC(=N)N;UXJNXXUAQYIWAJ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288387;MM288387;CC#CC#CCNC(N)=O;FRUJJBLLJOOCMC-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288388;MM288388;C=C(C)OCC#CC#CC;KYRGQLJLWSCZST-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288389;MM288389;CC#CC#CCOC(C)=O;PCKLRQVFMZJRDZ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288390;MM288390;CC#CC#CCOC(=N)N;ACAAKBRGBKQLAF-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288391;MM288391;CC#CC#CCOC(N)=O;PDTUPEWFCFFMJE-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288392;MM288392;CCCCC=CCC(C)C;LCGKSWCYAYDYHT-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288393;MM288393;CC(N)CC=CCCCN;KFYNSFDIKISAAS-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288394;MM288394;CC(N)CC=CCCCO;QWPOJVHUTKSLPN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288395;MM288395;CC(N)CC=CCCCF;HIEHENFXXUADCV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288396;MM288396;C#CC1CN1CCO;UAAINFVPNYAFOE-UHFFFAOYSA-N;111.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288397;MM288397;CC(O)CC=CCCCN;RSQVZYRMSOUNKQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288398;MM288398;C=CCC(F)=CC(N)=O;IYOOSUXUHSFIAU-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288399;MM288399;NCCCC=CCC(F)F;AOOHOTXPCOWHLR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288400;MM288400;FCCCC=CCC(F)F;SXRMZNYNLXVVSF-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288401;MM288401;CNCCC=CCC(C)O;RVKFKTKQEHKSBH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288402;MM288402;CCNCC=CCC(C)O;GYRWRGOFBLHGIA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288403;MM288403;CC(F)CC=COCCN;ZAPSPZBLPBUBBZ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288404;MM288404;NCCOC=CCC(F)F;GSAUCVPPXLCNCL-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288405;MM288405;COCOC=CCC(C)C;PRYURSDLNMQGEW-UHFFFAOYSA-N;144.21;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288406;MM288406;COCOC=CCC(C)F;AGNZWDBJNJIQDK-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288407;MM288407;CC(C)CC=NNCCN;XFQBGTONHHUUGE-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288408;MM288408;C#CC(=CC(N)=O)CF;GLHUACOOICWTNC-UHFFFAOYSA-N;127.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288409;MM288409;CCCNN=CCC(C)N;HDXIXODQTSSHKQ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288410;MM288410;FCCNN=CCC(F)F;JVIMTIIARHMCAJ-UHFFFAOYSA-N;154.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288411;MM288411;CCCON=CCC(C)N;TXRJUGRSJPKTPN-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288412;MM288412;CC(N)CC=NOCCO;KNUZGOFQUJQFJO-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288413;MM288413;CC(O)CC1(C=O)CN1;CBYHFMWIWLSMBT-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288414;MM288414;N#CC=C(N)NCCO;PSIKCPFTHXYHEH-UHFFFAOYSA-N;127.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288415;MM288415;C#CCCN(N)C(N)=O;APOWOEJUJILMEZ-UHFFFAOYSA-N;127.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288416;MM288416;COCON=CCC(C)F;XYVRIRMTBXNQIX-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288417;MM288417;COCON=CCC(F)F;ZFGUNGWMBAYASA-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288418;MM288418;CC(C)N=CNCCCN;LCMZCBLPLBDDOW-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288419;MM288419;CC(C)N=CNCCCF;BDYJKKADNMGUEL-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288420;MM288420;CCCCC=NNC(C)C;UQDJMVQMHVIDOG-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288421;MM288421;N=C(NCCO)C(F)F;XDUWGIPRBIHIAO-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288422;MM288422;CC(C)NN=CCCCF;WYVKEJQCGHDQNG-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288423;MM288423;CCOCC=NNC(C)C;NESNPROABYFFSQ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288424;MM288424;CC(C)OC=NOCCN;YJLREUJXTCTBAV-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288425;MM288425;CC(C)ON=CCCCN;VSJWCCQQRGCMRM-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288426;MM288426;CC(=O)C(=N)NCCO;CFASETZKPDDJIT-UHFFFAOYSA-N;130.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288427;MM288427;COCCC=NOC(C)C;HLWNMOZHIUDZAE-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288428;MM288428;CCNCC=NOC(C)C;LZUDYPXOYJOYFO-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288429;MM288429;COCOC=NOC(C)C;FNPOIEUDTQRHNO-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288430;MM288430;CN(C)CC=COCCN;QXIWGJCXFDBHSX-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288431;MM288431;CCCCN=CNN(C)C;WPTQJQOEJMRZQL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288432;MM288432;CN(C)N=CNCCCN;IJBXSKINKGZBEN-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288433;MM288433;CN(C)N=CNCCCO;XZRNEPUBYRYRGJ-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288434;MM288434;CCCON=CNN(C)C;SLXXNGFFNNKFMF-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288435;MM288435;CC(=O)N(N)C=CCO;VSAZVSOBOAZUSF-UHFFFAOYSA-N;130.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288436;MM288436;COCON=CNN(C)C;MBPRBGSKUYCSCQ-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288437;MM288437;CC(C)CC=CCCC#N;UECIDOSVEXCWJS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288438;MM288438;C=CCCC=CCC(C)N;VWISLKIKZYZINT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288439;MM288439;CN(C)C(=O)C=CCO;RHTCAVNYAGXBOW-UHFFFAOYSA-N;129.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288440;MM288440;CC(F)CC=CCCC=O;MXEBLACYWSXUBS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288441;MM288441;O=CCCC=CCC(F)F;DVSZMZZCFAOMSV-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288442;MM288442;CC(O)CC=CCNC=N;JFAQKXZUFGOILK-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288443;MM288443;N=CNCC=CCC(F)F;NMXGTUMHFFMDNM-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288444;MM288444;O=CNCC=CCC(F)F;CRTWBIVEOLSBEV-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288445;MM288445;CC(O)CC=COCC#N;VRYVJCPKVJOICQ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288446;MM288446;CC(F)CC=COCC#N;HYDQAAWVAAOUCR-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288447;MM288447;C=CC1(C)CN1CCO;PEQGYWBDFOTFNG-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288448;MM288448;C=CCNN=CCC(F)F;MKUKILKXMHQDGK-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288449;MM288449;CC(C)CC=NOCC#N;XSLDXAXCVMDTHE-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288450;MM288450;CC(F)CC=NOCC#N;WPZWMIVOHWMECW-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288451;MM288451;N#CCON=CCC(F)F;UPLINAOQXCBZSE-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288452;MM288452;CC(C)N=CNCCC#N;WTTFSHDUZFBJHC-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288453;MM288453;CC(C)N=CNNCC=O;BIVHSJZMAPKIQU-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288454;MM288454;CC(C)N=CNNCC#N;HHIYCMICFNQCFY-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288455;MM288455;C=COCC=NNC(C)C;KQHHPFMJRDXZEO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288456;MM288456;CC(C)OC=COCC#N;YYMZRGJNQKGQNM-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288457;MM288457;CC1(C=O)CN1CCO;JMTROWIPRBGMLE-UHFFFAOYSA-N;129.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288458;MM288458;CC(C)OC=NOCC#N;ZGBRRKXZBGUSNO-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288459;MM288459;C=NOCC=NOC(C)C;LPFXLIMUBSFQEE-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288460;MM288460;CC1(C#N)CN1CCO;WDWKOLZROYODCU-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288461;MM288461;C=CCCC=CCN(C)C;UBXDTWSVUZETQS-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288462;MM288462;C=COCC=CCN(C)C;HIMPNTHSGHQTHW-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288463;MM288463;C#CCCC=CCC(C)N;HHDHVAAWIWHNPT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288464;MM288464;C#CCCC=CCC(F)F;XPUKOJYRTFXHBC-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288465;MM288465;C#CCOC=CCC(C)N;YSCDTSJYTSNARH-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288466;MM288466;C#CCNN=CCC(C)C;AGHHSOXBDZVWAI-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288467;MM288467;C#CCNN=CCC(C)N;CQWLKCRITBFWDD-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288468;MM288468;C#CC1(C)CN1CCO;WVLYBUMRTDDIAB-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288469;MM288469;C#CCCC=NNC(C)C;BYIULSFBKMPZCC-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288470;MM288470;CN1CC(=CCO)C=N1;FDGJWYCDFCCPLC-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288471;MM288471;C#CCON=COC(C)C;SQVYMTOFRRETFA-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288472;MM288472;C#CCCC=NOC(C)C;YXIYQLWBVUNZJP-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288473;MM288473;C#CCOC=CCN(C)C;SHENNCMCYRNIGI-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288474;MM288474;CC(=O)CC=CCCCF;TZXVSGBFEKYSQF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288475;MM288475;N=C(N)CC=CCCCN;IOQHABBAWXDROH-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288476;MM288476;NCCCC=CCC(N)=O;DXUABYURKYBCGA-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288477;MM288477;O=C(O)CC=CCCCF;KIYQREFOPRZGMQ-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288478;MM288478;C=C(C)CC=CCCNC;RVGOWUWXQPYRFT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288479;MM288479;COCCC=CCC(=N)N;HMHSHQYKWDUWOS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288480;MM288480;CCCOC=CCC(C)=O;FXGXLFMKYVYKNL-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288481;MM288481;C#CCC(F)C(C=O)=NO;FIKIDYULGMHZJW-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288482;MM288482;C=C(F)CC=COCCN;IRUUUHNBJZLJCQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288483;MM288483;COCOC=CCC(=N)N;KCWCDZCEAPBXSP-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288484;MM288484;N#CCC1CN1CCO;RMOCLCZZUSSEKE-UHFFFAOYSA-N;126.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288485;MM288485;N=C(N)CC=NNCCN;AKSWZBKHPFFAQX-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288486;MM288486;N=C(N)CC=NNCCF;FWTURVBUOSQEPB-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288487;MM288487;CC(O)(C=O)C(C=O)=NO;WEZKDCWQIJNIKQ-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288488;MM288488;C=C(F)CC=NNCCF;FOWBFDRGUKPMFB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288489;MM288489;Oc1cnoc1O;LCDWHCSSKOYYKO-UHFFFAOYSA-N;101.06;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288490;MM288490;COCONC(=O)C=NO;LCHWPXLDOUVVPD-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288491;MM288491;C#CCC1CN1CCO;AIETWGVOBRLTAI-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288492;MM288492;COCON=CCC(=N)N;CVEPFFLEXITEHS-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288493;MM288493;CC=CC1CN1CCO;QXPPQYYNGATULD-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288494;MM288494;CCCc1noc(O)n1;XWSNWVHBGVEQPG-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288495;MM288495;C=C(F)CC=NOCOC;ZAJFAODCUXQALD-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288496;MM288496;CC(=N)NC=CCCCN;AEEAMPTZHHWPJM-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288497;MM288497;CC(=N)NC=CCCCF;PNBUWHZTFAUIOW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288498;MM288498;CCCCC=CNC(C)=O;FKPDSVXLAARYIA-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288499;MM288499;CCCCC=CNC(=N)N;VNWCORCUJHFASV-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288500;MM288500;CCCCC=CNC(N)=O;DIGMAWLESSIFKX-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288501;MM288501;NCCCC=CNC(N)=O;VLOXONVCOGMYFR-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288502;MM288502;NC(=O)NC=CCCCO;FXGKELIAOKXWIV-UHFFFAOYSA-N;144.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288503;MM288503;CNCCC=CNC(=N)N;BSKRNJKIIWPKRH-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288504;MM288504;CCCOC=CNC(C)=N;WQALNQJTFDTLDL-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288505;MM288505;CC(=N)NC=COCCN;UFKMJIPTVGYDKV-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288506;MM288506;CC(=O)NC=COCCO;XETLLDBZUIBNOB-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288507;MM288507;N=C(N)NC=COCCF;IYADJAXFOFGMLR-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288508;MM288508;CCCOC=CNC(N)=O;LSXRRBDRLFKNAL-UHFFFAOYSA-N;144.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288509;MM288509;NC(=O)NC=COCCO;YGMHNTYRNSPFSM-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288510;MM288510;NC(=O)NC=COCCF;FYFVWZOSMLYVPQ-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288511;MM288511;COCOC=CNC(C)=N;GWFJYLRROPRPTE-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288512;MM288512;COCOC=CNC(C)=O;PJPUTGRLCOFVIS-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288513;MM288513;COCOC=CNC(N)=O;NWYWPKMDBNGVPE-UHFFFAOYSA-N;146.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288514;MM288514;C=C(C)N=CNCCCO;FGSSDVMJRFAQHM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288515;MM288515;C=C(C)N=CNCCCF;MDHPMGMIXQMNFV-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288516;MM288516;CCCCN=CNC(C)=O;SCXXBZFTMYPZDS-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288517;MM288517;CC(=O)NC=NCCCN;WOASVMJDEBOUGB-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288518;MM288518;CC(=O)NC=NCCCO;TWUNXUGYNFMIJB-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288519;MM288519;CC(=O)NC=NCCCF;PTZQKZGWYFKJQH-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288520;MM288520;CC(=O)NC=NNCCF;MOZUDSWNNXJNPX-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288521;MM288521;CCCNN=CNC(=N)N;ZKSLZGBDSFDNOE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288522;MM288522;NCCNN=CNC(N)=O;XHKCSOIQOMTISN-UHFFFAOYSA-N;145.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288523;MM288523;NC(=O)NC=NNCCO;FOBWRYKRPJAICN-UHFFFAOYSA-N;146.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288524;MM288524;CCCON=CNC(C)=N;AQPCDHZASLHUEP-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288525;MM288525;CC(=N)NC=NOCCO;WULITUPFEFAGIB-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288526;MM288526;CC(=N)NC=NOCCF;PAZGXFHKCQLHPP-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288527;MM288527;CC(=O)NC=NOCCO;BQWGXBMRLKCKSU-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288528;MM288528;CCCON=CNC(=N)N;BXSQPYMSQPIEFR-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288529;MM288529;N=C(N)NC=NOCCO;GLLXSZDDZBWFEQ-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288530;MM288530;CC(=N)NN=CCCCN;BXVSBHVCCLZTLD-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288531;MM288531;NN=C(CF)NCCO;PCZRPQAGQGFTKL-UHFFFAOYSA-N;135.14;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288532;MM288532;CC(=O)NN=CCCCN;LFWNLPKLTXHBHR-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288533;MM288533;N=C(N)NN=CCCCN;UESOSNORVKLZJJ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288534;MM288534;N=C(N)NN=CCCCO;MSCITUZCQCWBDC-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288535;MM288535;CCCCC=NNC(N)=O;XMZONBMDQPYULA-UHFFFAOYSA-N;143.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288536;MM288536;CNCCC=NNC(=N)N;RLSZBOULSAGWSA-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288537;MM288537;COCCC=NNC(=N)N;VDUPCMLMTZKNTP-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288538;MM288538;CCNCC=NNC(=N)N;WRZXVTHKGYRNEG-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288539;MM288539;CCOCC=NNC(=N)N;DGXLYKYHFMOQQT-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288540;MM288540;CC(=N)NN=COCCN;WCZZRFXEXCUFFY-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288541;MM288541;CC(=O)NN=COCCN;KRDLPEHKQJIRAX-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288542;MM288542;CC(=O)NN=COCCO;VKDTUYLPJXOYPW-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288543;MM288543;CCCOC=NNC(=N)N;JMLZDKAYYQYNKE-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288544;MM288544;N=C(N)NN=COCCN;JIRKZTSEHYHGOL-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288545;MM288545;N=C(N)NN=COCCF;JGXDATQXYLVQQK-UHFFFAOYSA-N;148.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288546;MM288546;CCCOC=NNC(N)=O;JWYIDABIVHINML-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288547;MM288547;COCOC=NNC(C)=O;UGEMTPXZYQEYFW-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288548;MM288548;COCOC=NNC(=N)N;GVZQLRRSIUZOKR-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288549;MM288549;C=C(C)OC=COCCO;DBRSWDFHNUTSRU-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288550;MM288550;C=C(C)OC=COCCF;OLSZQEJGNFAHAR-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288551;MM288551;CC(=O)OC=COCCN;NZVOBVQWDSYQSA-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288552;MM288552;CNN(C=O)C=CCO;MRTVGMCYVJTXAX-UHFFFAOYSA-N;130.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288553;MM288553;N=CN(C=O)C=CCO;TUMADRKPCUEFMZ-UHFFFAOYSA-N;128.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288554;MM288554;CC(=O)OC=NNCCN;MFPABCQQUMFXLQ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288555;MM288555;C=C(C#CC1CN1)CO;DNXUMBBDTCMBHP-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288556;MM288556;NCCNN=COC(N)=O;FUCZHYNQKABFFV-UHFFFAOYSA-N;146.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288557;MM288557;C=C(C)OC=NOCCN;QRAAVFIXKHAVRZ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288558;MM288558;CC=NN=CNCCO;NHKBAKXQFPRJCW-UHFFFAOYSA-N;129.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288559;MM288559;C=CC1C(C)N1CCO;NYHFTCVNTKGBJD-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288560;MM288560;NC(=O)OC=NOCCO;YWDMCHCVGWZVCN-UHFFFAOYSA-N;148.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288561;MM288561;NC(=O)OC=NOCCF;QTQSCVLISGPUFV-UHFFFAOYSA-N;150.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288562;MM288562;C=C(C)OC=NOCOC;LDAXZOQCAHIWPR-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288563;MM288563;N=C(N)ON=CCCCN;LKBGNFLLIIMBLJ-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288564;MM288564;CC1C(C#N)N1CCO;WRAUQYTWOJAHGE-UHFFFAOYSA-N;126.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288565;MM288565;NCCCC=NOC(N)=O;RDUWRHAKOGXVQU-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288566;MM288566;CN(CCO)CC(F)(F)F;YMHYJSJSUSFLMX-UHFFFAOYSA-N;157.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288567;MM288567;CNCCC=NOC(N)=O;FVLMUSFZKMAYNU-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288568;MM288568;CCOCC=NOC(C)=O;RGCBBHHFFMOWPF-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288569;MM288569;CCCOC=NOC(C)=O;ZLBYMLMYJDZIBE-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288570;MM288570;CC(=O)ON=COCCN;FHHMBOHNDPTJQT-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288571;MM288571;N=C(N)ON=COCCN;KPNSNCVHRNGVPW-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288572;MM288572;NCCOC=NOC(N)=O;FBQLSXIJTBWNNM-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288573;MM288573;NC(=O)ON=COCCO;MZUUUJLEPUIDDD-UHFFFAOYSA-N;148.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288574;MM288574;C=CCCC=CCC(=C)C;MXFNFKXIJOGVPA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288575;MM288575;C=C(C)CC=CCCC=O;SQFAACFMBBVLLT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288576;MM288576;NC(=O)CC=CCCC=O;VVBDWOOIGWKYLW-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288577;MM288577;C=C(F)CC=CCNC=N;XYGPJRPFHQPHPJ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288578;MM288578;C=NNCC=CCC(=N)N;KVMRRMICPSKWCB-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288579;MM288579;NC(=O)CC=CCOC=O;HYJGELSAIJONAC-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288580;MM288580;C=NOCC=CCC(=N)N;NSIJOAHDBGUZAA-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288581;MM288581;CCc1noc(O)n1;XDAARBVMIPYNNG-UHFFFAOYSA-N;114.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288582;MM288582;C=CCOC=CCC(C)=O;LJEVRTQQQMITTF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288583;MM288583;Nc1c(O)nnn1O;UNZOHFUNUIFGFX-UHFFFAOYSA-N;116.08;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288584;MM288584;CC(=CC(C)(F)F)C(N)=O;OZRXKYPDVPIONS-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288585;MM288585;CN(C=CC#N)CC(N)=O;QIYCAELKNSKLCJ-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288586;MM288586;C=CCNN=CCC(=N)N;ZUQYAQLNRLNKET-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288587;MM288587;C#CCC(=NO)C(O)C#N;BIHQEDZNSYHZCI-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288588;MM288588;C=CCNN=CCC(=C)F;RPOQOBCPGKPHEG-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288589;MM288589;N#CCON=CCC(=N)N;RTLIFNKCWMRRQA-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288590;MM288590;C=CC(N)=NN=CC(N)=O;BWBFIIAVRZRTBU-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288591;MM288591;CNC(C#N)(C#N)C=NO;JMMARXCQCDTEKY-UHFFFAOYSA-N;138.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288592;MM288592;NC(=O)C=CC=C(F)CF;ZUEDMPHQHGDVBG-UHFFFAOYSA-N;147.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288593;MM288593;C=C(F)CC=NOCC#N;CLERFGJSXKPKNX-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288594;MM288594;CC(=O)NC=CCCC=O;AWAGYFPHIGMHQX-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288595;MM288595;C=CCCC=CNC(=N)N;APAWBGRVKLFCQL-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288596;MM288596;C=CCCC=CNC(N)=O;YUQJHCBGTWNRPK-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288597;MM288597;NC(=O)NC=CCCC=O;OIZBOCNADBZQPL-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288598;MM288598;CC(=N)NC=CCNC=N;IDTIUELCTCPLOF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288599;MM288599;C=NNCC=CNC(C)=N;RPXSGEZSXYOIGU-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288600;MM288600;C=NNCC=CNC(=N)N;KRLYNTBCGVPQNY-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288601;MM288601;CC(=O)NC=CCOC=O;XWUOOFMWGABHBZ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288602;MM288602;NC(=O)NC=CCOC=O;BFPPLMSNQZNMAG-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288603;MM288603;COC(=O)CN(C)CCO;CJHZDLJKPMEXLV-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288604;MM288604;C=NOCC=CNC(=N)N;RELRBPYTJXVFAP-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288605;MM288605;C#CC(=O)CN(C)CCO;LQDWRMVFMUOMKQ-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288606;MM288606;CC(=N)NC=COCC=O;IMHIHJXVYJPNPK-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288607;MM288607;CC(=O)NC=COCC=O;JIXQYWUUFRWTRL-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288608;MM288608;CC(=O)NC=COCC#N;LLLQRBIULCBRRA-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288609;MM288609;N=C(N)NC=COCC=O;NIDFRMLAQGLOMY-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288610;MM288610;C=C(C)N=CNCCC=O;HXIUMIKRPRCWNR-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288611;MM288611;C=CCCN=CNC(C)=N;HLXFJGUOMDBKRT-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288612;MM288612;CC(=O)NC=NCCC=O;ROUSKVANMCMMSR-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288613;MM288613;N#CCCN=CNC(=N)N;FSGSFUSDHSUGMZ-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288614;MM288614;C=C(CC(C)O)C(C)=NN;PDMMNBCLLZLNGF-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288615;MM288615;CC(O)CC(C=NN)=CF;CYDKWODHJNRQNX-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288616;MM288616;C=CCNN=CNC(C)=N;WHCSRLUDNKNCKS-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288617;MM288617;C=CCNN=CNC(C)=O;JKUWSPITSVGFRZ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288618;MM288618;CC(=O)NC=NNCC#N;YGEVDKMUGMHJGH-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288619;MM288619;C=CCNN=CNC(=N)N;VCYVRHDMEPXUCH-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288620;MM288620;N#CCNN=CNC(=N)N;KIYIQAQHPXDWQD-UHFFFAOYSA-N;140.15;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288621;MM288621;C=CCON=CNC(C)=N;AYHGLKNJLDOXBL-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288622;MM288622;C=CCON=CNC(=N)N;IKZSBYLEDNSKRL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288623;MM288623;N#CCON=CNC(=N)N;VGLTYPIUYRZPBU-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288624;MM288624;C=CCON=CNC(N)=O;ZQGXXFKXUYNKEC-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288625;MM288625;N#CCON=CNC(N)=O;MXQNNNSFKTYRSV-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288626;MM288626;CC(=O)NN=CCCC#N;ZTCMUJLUMGSJTN-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288627;MM288627;N=C(N)NN=CCCC=O;WHBVMJXNKDYLFB-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288628;MM288628;CC(=O)NN=CCN=CN;MHPURIPMPYHQJN-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288629;MM288629;N=C(N)NN=CCNC=O;WHVKLEKNYLWSIN-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288630;MM288630;N=CNCC=NNC(N)=O;DXQNVKIAYZMYRK-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288631;MM288631;NC(=O)NN=CCNC=O;CHKVZFNRGLKQJG-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288632;MM288632;C=COCC=NNC(=N)N;HMXDXODVRDQMLB-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288633;MM288633;C=NOCC=NNC(=N)N;AHWZFTZCOPMJDJ-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288634;MM288634;C=CCOC=NNC(=N)N;NEHNYVPVVZFHSX-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288635;MM288635;N=C(N)NN=COCC=O;TWJAHGGVWVIXCR-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288636;MM288636;C=CCOC=NNC(N)=O;YHRDGBNOEPEFQK-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288637;MM288637;CC(=O)OC=CCOC=O;WXGLQILKMHSYMQ-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288638;MM288638;C=CCOC=COC(=C)C;AICUBCWZBSAGBC-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288639;MM288639;C=C(C)OC=COCC=O;RVJSEJLYAFTNGC-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288640;MM288640;C=C(C)OC=COCC#N;AHCLEICSXQLIQM-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288641;MM288641;NC(=O)C=C(C=CF)CF;QATVGDJXNRJBLA-UHFFFAOYSA-N;147.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288642;MM288642;C=C(C)OC=NOCC#N;LUDYDEDZWFSQCI-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288643;MM288643;NC(=O)OC=NOCC=O;ZRKGBDHUEPHFPW-UHFFFAOYSA-N;146.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288644;MM288644;N#CCON=COC(N)=O;WHKCYZOXTFYICM-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288645;MM288645;CC(=O)ON=CCN=CN;MRFXQXIWALVYGN-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288646;MM288646;CC(O)CCOCC=NN;XUGLSELROSMHPC-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288647;MM288647;CC#CC(C)C(=O)C(=N)N;CTJBDBTWASJJLY-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288648;MM288648;C=COCC=NOC(C)=O;YQKIXQFGQXWBPJ-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288649;MM288649;CC(=O)ON=CON=CN;LXYCXJCAMURIRJ-UHFFFAOYSA-N;145.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288650;MM288650;CC(=O)ON=CONC=O;VCRBJQQTPVVKPC-UHFFFAOYSA-N;146.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288651;MM288651;C#CCOC=CCC(C)=O;SINNHTBBONANGT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288652;MM288652;CC(=O)NN(C)CC(=O)O;UUXLRSWBJDMGSD-UHFFFAOYSA-N;146.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288653;MM288653;CC(=NC=N)N(C)C(N)=O;VBEONHHQKZYKEN-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288654;MM288654;C#CCON=CCC(=C)C;LMAJTLVUXZVPOO-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288655;MM288655;C#CCON=CCC(=N)N;GIXPMSWHFYUVMB-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288656;MM288656;N#CC(=NO)C1NC1CF;SWPKBGLUBWKVQW-UHFFFAOYSA-N;143.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288657;MM288657;C#CCON=CCC(=C)F;YTKAHLTUALZJKC-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288658;MM288658;C#CCOC=CNC(N)=O;PLHOKTATWVSSTF-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288659;MM288659;C#CCCN=CNC(C)=N;RUTZMDNTRHPHEG-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288660;MM288660;C=C(C)C1(C)CN1CCO;NQNKFNOSKBLDMM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288661;MM288661;C#CCNN=CNC(C)=O;XXXINKGOISJEGE-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288662;MM288662;C#CCON=CNC(C)=N;NELWGTJSENMYTD-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288663;MM288663;C#CCON=CNC(C)=O;JWCQTHLJXWAVBW-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288664;MM288664;C#CCCC=NNC(=N)N;NJOVSHVCXUFEKC-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288665;MM288665;C#CCOC=COC(=C)C;KFMAKXKZOMAUOF-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288666;MM288666;C#CCOC=COC(C)=O;TVYXULUXAIJPGM-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288667;MM288667;OCCN(CCF)CCF;NQLXNMIZJCLAJY-UHFFFAOYSA-N;153.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288668;MM288668;C#CCOC=NOC(C)=O;VABPRHAOOGNSNV-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288669;MM288669;CC(C)CC=CN=CNN;BJOZAWRZRKHACL-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288670;MM288670;CN=CNC=CCC(C)N;FCSXEFZNFUYGDS-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288671;MM288671;CC(F)CC=CN=CNN;XJFHHKVVDFMECR-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288672;MM288672;CC=COC=CCC(C)C;ZDONPENSFNGYHH-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288673;MM288673;C#CCN(CC#N)CCO;SJWRWBQLCUOWDT-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288674;MM288674;C=NN=CN(N)C=CCO;YRFFMJWNCBTWFU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288675;MM288675;CC(=NOC=O)NCCO;UUEKXJYBCRFSQS-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288676;MM288676;CC(N)CC=NN=CNO;YAJAWQLUNVAIGO-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288677;MM288677;CC=NN=C(C)NCCO;CZOGCCMYTLYJFQ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288678;MM288678;CCC(=O)N(N)C=CCO;FJNDRMYCWSAPLL-UHFFFAOYSA-N;144.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288679;MM288679;C#CC(=O)N(N)C=CCO;SFVKQVGZDPJCGY-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288680;MM288680;CC(C#N)=C(N)NCCO;HIXLLOPPJOXRIJ-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288681;MM288681;ON=CNN=CCC(F)F;MYQSJJSCAWMIPS-UHFFFAOYSA-N;151.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288682;MM288682;CCN(CCO)C(C)C#N;BRMQWJWLNYOKRO-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288683;MM288683;CNN(CC=O)C(=N)C=O;XPVCBGDQWRVKLK-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288684;MM288684;CC=CN=CNCC(C)C;SKLBNISQEVOHTH-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288685;MM288685;CC=CN=CNCC(C)N;YFKOXUNOFTXJPF-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288686;MM288686;CC(N)CN=CNC=CF;VZXUCISFPVNIGO-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288687;MM288687;CN=CNNC=NC(C)C;KDSHWCUUHCXDKO-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288688;MM288688;CC=CCC=NNC(C)C;CPOLZRRGNIGKJU-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288689;MM288689;CC(C)NN=CCC=NN;REZWTNRAZKEVQN-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288690;MM288690;C=COC(C=CCO)=NN;FQBXUQZSIVEUCJ-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288691;MM288691;NN=C(C=CCO)OC=O;XEOHFVTVPLSSNC-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288692;MM288692;CNN=C(CF)CNC=O;MGGRRQNFPHHDFA-UHFFFAOYSA-N;147.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288693;MM288693;CC(C)OC=COC=NO;SQHCCKWXGJYWIJ-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288694;MM288694;CC(C)OC=NOC=NO;KYLZIVFBIMOPFF-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288695;MM288695;CC(C)ON=CNC=CF;DHBIZZGKLGJQGF-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288696;MM288696;CN(C)CC=CCC=NO;KXZMYWMRRNKLOK-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288697;MM288697;CN=CNC=CCN(C)C;TYELHKBKSQBORM-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288698;MM288698;CCN=C(C=O)NCCO;YIBTZWKPHGYTNI-UHFFFAOYSA-N;144.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288699;MM288699;CC=CCC=CCC(C)=O;JKCHJYJUPWCRLZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288700;MM288700;CC(=O)CC=CCC=CF;DULMMIKHDKAXSD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288701;MM288701;N=C(N)CC=CCC=CF;MQEWMUPKPPORKE-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288702;MM288702;NC(=O)CC=CCC=CF;LAOFMYNTDCCLAC-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288703;MM288703;CC(=O)CC=CCC=NO;QYCVDLZXVBUCHO-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288704;MM288704;CN=CNC=CCC(C)=O;XUKJAFNSJNUGMN-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288705;MM288705;N=C(N)CC=CN=CNO;MXJRECBZKIXXKP-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288706;MM288706;O=C(O)C=CNN=CCO;JISYUCXSQMISJC-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288707;MM288707;CON=C(C=O)NCCO;HBEFSCPROWTLOD-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288708;MM288708;N=C(N)CC=COC=NN;UYOVLEUNBVZHFN-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288709;MM288709;N=C(N)CC=COC=NO;QXJSMQYUXDZEHO-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288710;MM288710;C=CC(=CC#N)NCCO;ICSOZLWRMDPWBN-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288711;MM288711;NC(=O)CC=COC=NO;NVIVADAJWGIVED-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288712;MM288712;CNN=CC(=CCO)CF;OYQXGRVFJOXVDI-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288713;MM288713;N=C(N)CC=NN=CNO;IPWRXYZRSCLQCT-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288714;MM288714;CON=C(C=CCO)OC;HAAZZWZUWFUIAI-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288715;MM288715;CC(C)N=C(N)C(=O)O;GTNWRINTUCJTSR-UHFFFAOYSA-N;130.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288716;MM288716;C#CC(C(N)=O)N(C)N=C;HYORQHJVXWLFOR-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288717;MM288717;CC(F)C(=NN)NCCO;VBVXLDATKZALNH-UHFFFAOYSA-N;149.17;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288718;MM288718;C=CC1(CC)CN1CCO;XAKAJTACVJEFRP-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288719;MM288719;C=C(F)CC=NOC=NO;GNQZWUYYAHTINW-UHFFFAOYSA-N;146.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288720;MM288720;CC(=N)NC=CCC=CF;LLZQPIPLCTVAGX-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288721;MM288721;CC=CCC=CNC(C)=O;OKRZWUDKHSAWJL-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288722;MM288722;CC(=O)NC=CCC=CF;RQVIHHOSBKILTA-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288723;MM288723;CC=CCC=CNC(=N)N;BWMAFMHDJPDRDE-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288724;MM288724;NC(=O)NC=CCC=CF;AUIAXSPYXIILIL-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288725;MM288725;CC(=N)NC=CCC=NN;RYJGGPCUNJSGAJ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288726;MM288726;CC(=O)NC=CCC=NO;LCEHZVLRBPXBPP-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288727;MM288727;CCC1(C#N)CN1CCO;NHVYPRRBNMDBQK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288728;MM288728;N=C(N)NC=COC=CF;OICDWPSEKKCYQU-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288729;MM288729;CC=COC=CNC(N)=O;KZASOLYUGWEVNQ-UHFFFAOYSA-N;142.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288730;MM288730;CC(=N)NC=COC=NN;NCCILFZHCQLFIQ-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288731;MM288731;CC(=N)NC=COC=NO;FUBGSKOKIIEWOY-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288732;MM288732;CC(=O)NC=COC=NO;HSLOJZNXHPBNQC-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288733;MM288733;N=C(N)NC=COC=NN;SYABSXAKQGPYHW-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288734;MM288734;N=C(N)NC=COC=NO;GWBVAARAQXJPEP-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288735;MM288735;C#CC1(CC)CN1CCO;RWUAQHADSJPSEO-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288736;MM288736;NC(=O)NC=COC=NO;ZUVNOIWFQCUDML-UHFFFAOYSA-N;145.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288737;MM288737;C=C(C)N=CNCC=CF;WJVXIDBTPMBNOI-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288738;MM288738;CC=CCN=CNC(C)=N;MRBHZBBPLJTHRZ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288739;MM288739;CC=CCN=CNC(C)=O;KZLOQWOVYQQTDL-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288740;MM288740;N=C(N)NC=NCC=CF;PTFPDKBYLJCXGT-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288741;MM288741;C=CC1(C=C)CN1CCO;LTJMBWYVPVHKLQ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288742;MM288742;CC(=N)NC=NN=CNN;VIRNXGHADNTRKD-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288743;MM288743;CC(=N)NC=NN=CNO;YRRDEXSUIWPSSK-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288744;MM288744;N=C(N)NC=NNC=NN;FEFLZRXFPKAOJS-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288745;MM288745;C#CC1(C=C)CN1CCO;JZGJSFHNXQBOCJ-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288746;MM288746;NN=CON=CNC(N)=O;QACCWOIUMBKHSB-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288747;MM288747;CC=CCC=NNC(N)=O;NEQJDECKYSJLQY-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288748;MM288748;N=C(N)NN=CCC=NO;RJMMXBUVKBCYKJ-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288749;MM288749;NC(=O)NN=CCC=NO;FJONHOPQRAFECH-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288750;MM288750;N=C(N)NN=COC=CF;LIACJZCTCOILDF-UHFFFAOYSA-N;146.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288751;MM288751;CC(=O)NN=COC=NN;IKSFEHLQALKSHZ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288752;MM288752;CC(=O)NN=COC=NO;VDVQJSWNSADQDF-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288753;MM288753;C=C(C)OC=COC=CC;CYILWYJIRBJZTH-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288754;MM288754;CC=COC=COC(C)=O;SZCARDNVXJDVHQ-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288755;MM288755;C#CC1(C#N)CN1CCO;IGVOUVPGLIOJRL-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288756;MM288756;C#CC1(C#N)NC1CC=O;MEFMTBOIOQPDGW-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288757;MM288757;C#CC1(C#C)CN1CCO;ZKTNYDJZYQXPKU-UHFFFAOYSA-N;135.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288758;MM288758;CNC1C=NN(C=N)C1=N;FQPYSVCDWQUKLK-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288759;MM288759;C#Cc1onc(NN)c1C;QCQAJHZJZNWILF-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288760;MM288760;C=C(C)OC=NOC=NO;JPLDSTVUUGUIIO-UHFFFAOYSA-N;144.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288761;MM288761;C=CC=CC1CN1CCO;XYIBFDBIUPJGOO-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288762;MM288762;CCC#CC1CN1CCO;CBXLEAPZFFXQEU-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288763;MM288763;N#CC#CC1CN1CCO;AUQYWHSNWWMBFO-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288764;MM288764;CC=COC=NOC(C)=O;ARKUSXMOHBRMIT-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288765;MM288765;CC=NOC=NOC(C)=O;VLCONXMRWKRBDX-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288766;MM288766;CC#CCC=NNC(C)C;BBZOLKSSGVIPAJ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288767;MM288767;CC#CCC=CCC(C)=O;YNAKRLGIBTYDRW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288768;MM288768;CC#CCC=CNC(C)=N;LDFOQOZBISFPKZ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288769;MM288769;CC#CCC=CNC(C)=O;GHYDUKMABHEDDL-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288770;MM288770;CC#CCC=CNC(=N)N;FRFMNOLVFDNTIL-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288771;MM288771;CC#CCC=CNC(N)=O;MOOACRKKOOCJFB-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288772;MM288772;C=C(C)NC=NCC#CC;ZMJNTJSGZXSKHY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288773;MM288773;CC#CCN=CNC(C)=N;MENHYLPONVRTPB-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288774;MM288774;CC#CCN=CNC(C)=O;OEGIWSODQMCLIC-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288775;MM288775;CC#CCN=CNC(=N)N;ZJPKMFVQHIFLHI-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288776;MM288776;CC#CCC=NNC(=N)N;IWJJYVVMYHDXCS-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288777;MM288777;CC#CCC=NNC(N)=O;CTNWISULXWXOBK-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288778;MM288778;CCCON=CNCCO;JGXCFGOCDGELPG-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288779;MM288779;CCC=CC=CCC(C)C;SKPJTPGPWLCUCC-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288780;MM288780;CC(C)CC=CC=CCN;AHKRARMBHWVHJE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288781;MM288781;CC(C)CC=CC=CCO;XZDCLTXGEMKGAG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288782;MM288782;CCC=CC=CCC(C)N;PXAMXFGKYCYNDO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288783;MM288783;COCON=CNCCO;HNIDVLUOKPGZFO-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288784;MM288784;CC(O)CC=CC=CCN;CCTHJGIJRBUGFT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288785;MM288785;CC(F)CC=NN=CCO;LCQRFMPBFLNBEV-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288786;MM288786;COC=NN=CCC(C)N;HXRBBONEMSRJLZ-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288787;MM288787;COC=NN=CCC(C)O;KOGHESPJNXBWPV-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288788;MM288788;COC=NN=CCC(C)F;DTVREZGZNBDZKN-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288789;MM288789;COC=NN=CCC(F)F;CLLZNHTXQNWDRR-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288790;MM288790;CCC=CC=NNC(C)C;YYMULTSCGDAZNK-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288791;MM288791;CN=CC=CNNC(C)C;KDFXNWXSUNXMRZ-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288792;MM288792;COC=CC=NNC(C)C;OGDXECAWOWNGQG-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288793;MM288793;CC(C)OC=NN=CCO;MCBKGTKSCUKWRS-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288794;MM288794;COC=NN=COC(C)C;OXXVBCNONITFLE-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288795;MM288795;CN(C)CC=CC=CCN;MSYKMUNOWBXWJY-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288796;MM288796;NN=CON=CNCCO;OTUGLTQHLAGQQH-UHFFFAOYSA-N;146.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288797;MM288797;Cc1nc(N)nn1C;IUOZPYYXZYMRIJ-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288798;MM288798;CC(C#N)NCCO;PTGCLXJVRRGUAP-UHFFFAOYSA-N;114.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288799;MM288799;CC(C)CC=CC=CC#N;AROYCKPLGWRBIN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288800;MM288800;C=NN(C=O)CC(N)=O;VKPNLYVWCZOGBQ-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288801;MM288801;CC(F)CC=CC=CC#N;MPBYFMKNMLKTBN-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288802;MM288802;C=CC=CC=CCC(F)F;LVHYXLOFOWCHSJ-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288803;MM288803;C=NN=CC=CCC(C)F;ONDIVXXTIFZXQJ-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288804;MM288804;CC(C)CC=NN=CC=O;HKSRQOWLRQZIHI-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288805;MM288805;CC(C)CC=NN=CC#N;DWZGXSSBRJMBPE-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288806;MM288806;C=CC=NN=CCC(C)N;LHIVHGAJRUDUBN-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288807;MM288807;CC(O)CC1(CF)CN1;RBIPYGRETJUEBE-UHFFFAOYSA-N;133.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288808;MM288808;CC(O)CC=NN=CC#N;IMGDSHCSKQYEFY-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288809;MM288809;C=CC=NN=CCC(C)F;VDRZMNJRELEVQQ-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288810;MM288810;CC(F)CC=NN=CC#N;CPAPLCHRCXOEBW-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288811;MM288811;N#CC=NN=CCC(F)F;YCLJAVJXUVMUDV-UHFFFAOYSA-N;145.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288812;MM288812;C=NNC=CC=NC(C)C;POQNKXHYRDWNRI-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288813;MM288813;CC(C)N=CNC=CC=O;PIZCEIXUEPAMRO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288814;MM288814;OCCNC1CC1(F)F;BIOPKCLSHHAMDS-UHFFFAOYSA-N;137.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288815;MM288815;C=CC=NN=COC(C)C;BCLHEJXJLIMUGP-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288816;MM288816;CC(C)OC=NN=CC=O;IZJKZLSGBNKIJL-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288817;MM288817;CC(C)OC=NN=CC#N;TZBHSQKZXXQPGI-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288818;MM288818;CC(C)ON=CC=CC#N;SYGUTLJQJAYFIR-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288819;MM288819;C=NN=CC=NOC(C)C;FVQKSSDBARIDLU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288820;MM288820;C=CC=CC=CCN(C)C;DVOLFJGXHWBZFU-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288821;MM288821;CN(C)CC=CC=CC#N;HUMUCBGDOFZUBM-UHFFFAOYSA-N;136.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288822;MM288822;C#CC=CC=CCC(C)N;GERPFYBLRMKPKQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288823;MM288823;C#CC=NN=CCC(C)C;CJNGRWUZARDNJW-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288824;MM288824;C#CC=NN=CCC(C)N;BWUMYTNYRRDFQQ-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288825;MM288825;C#CC=NN=CCC(C)F;YNOMBPXUNUVKMC-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288826;MM288826;C#CC=NN=COC(C)C;NGOBTHPFHMWBGF-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288827;MM288827;C#CC=CC=NOC(C)C;AWLSTJNYZAPVPR-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288828;MM288828;C#CC=CC=CCN(C)C;OUKMJKWBKOPWQT-UHFFFAOYSA-N;135.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288829;MM288829;C=C(C)CC=CC=CCC;JMDVPEKFUGFJQY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288830;MM288830;CC(=O)CC=CC=CCF;BKOPSHYCEOLHSL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288831;MM288831;N=C(N)CC=CC=CCN;IQBSZRVLAWPYAL-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288832;MM288832;N=C(N)CC=CC=CCF;NKMVWYUMCRCAQV-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288833;MM288833;NCC=CC=CCC(N)=O;RQVICTOZSUHTCH-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288834;MM288834;NC(=O)CC=CC=CCO;CRCFLLRFPXQCTR-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288835;MM288835;CON=CC(C)=CCO;VTNUVCRIMLGEOG-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288836;MM288836;CC(=O)CC=NN=CCO;ZTPPJDBHLHFVPI-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288837;MM288837;N=C(N)CC=NN=CCO;WMGVEKJUGUAALE-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288838;MM288838;CCC=NN=CCC(N)=O;BLYZYJWBQPJOGX-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288839;MM288839;NC(=O)CC=NN=CCO;BVFMFCNJUGXAAQ-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288840;MM288840;C=C(F)CC=NN=CCO;IJLQPWJURWWMNE-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288841;MM288841;COC=NN=CCC(N)=O;PKMSNJCBBHGGDW-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288842;MM288842;C=C(F)CC=NN=COC;QEZRMUDILMZPBO-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288843;MM288843;CCC=CC=CNC(C)=N;LFSMFEJJJVFRED-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288844;MM288844;CC(=N)NC=CC=CCN;NUELZQUVNAGLCS-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288845;MM288845;CC(=O)NC=CC=CCF;CAOXRSAPVZFJAZ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288846;MM288846;CCC=CC=CNC(=N)N;JTPINRRNPDMRQF-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288847;MM288847;N=C(N)NC=CC=CCF;LFVXRKUVHCTIPB-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288848;MM288848;NCC=CC=CNC(N)=O;FUDKEELLYVPMGD-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288849;MM288849;CNN=CC=CNC(C)=N;HLDHIFHUGBESDV-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288850;MM288850;CNN=CC=CNC(=N)N;ARRSQTPNVRKNSL-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288851;MM288851;CCN=CN=CNC(=N)N;KNOOLYORKCVCIU-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288852;MM288852;C=NN=CC(C)=CCO;JQGXQLPDBMDBCP-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288853;MM288853;CNN=CN=CNC(C)=O;KQOLTNJLTCHKJW-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288854;MM288854;CC(=N)NC=NN=CCO;JQEMKWJGKWMLPT-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288855;MM288855;CC(=O)NC=NN=CCO;BGBPEGLBDHMCDX-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288856;MM288856;CCC=NN=CNC(=N)N;JNEIRFFVVWLCQO-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288857;MM288857;N=C(N)NC=NN=CCO;INGMEBPSVGSWIS-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288858;MM288858;CCNc1cc(N)n[nH]1;FVOPHWBIFVTERU-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288859;MM288859;CC(=O)NN=CC=CCN;ILHOJJKDFHTPSB-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288860;MM288860;N=C(N)NN=CC=CCN;AFTPUYLGYWZWJQ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288861;MM288861;N=C(N)NN=CC=CCO;ALJPZGLQQHIIAR-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288862;MM288862;COC=CC=NNC(=N)N;LEQBHQAXGSGLPJ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288863;MM288863;CN=NC=CNNC(C)=N;FMURTWOTFONUEP-UHFFFAOYSA-N;141.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288864;MM288864;CN=NC=CNNC(C)=O;IEXMXKHGKNCJLZ-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288865;MM288865;CN=NC=CNNC(N)=O;IMQPUQFNPWLNJJ-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288866;MM288866;C=C(C)OC=CC=CCC;FGHTZYVZCPSWDS-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288867;MM288867;C=C(C)OC=CC=CCN;ARPSRLJCCOOTNO-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288868;MM288868;C=C(C)OC=NN=CCO;YSJKEHMPBHCKDU-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288869;MM288869;C=C(C)OC=NN=COC;DYKGANSFHMOKBX-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288870;MM288870;CC(=O)ON=CC=CCN;LNAWRJFHMMSGNH-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288871;MM288871;CC(=O)ON=CC=CCF;ZTTJGNKLLNZILV-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288872;MM288872;Cc1[nH]nc(CF)c1C;LBQPLNCDQZWQFN-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288873;MM288873;N#CC(CF)NCCO;UEHAKPKEGATOCI-UHFFFAOYSA-N;132.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288874;MM288874;C=CC(C#N)NCCO;WAHMRTWTFOSZAY-UHFFFAOYSA-N;126.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288875;MM288875;COC=CC=NOC(C)=O;NDOJMFMQJKHSET-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288876;MM288876;C#CC(C#N)NCCO;XMZLLWZTCLXEIT-UHFFFAOYSA-N;124.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288877;MM288877;C=C(C)CC=CC=CC=O;ZHEFLDMNYFXETO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288878;MM288878;C=C(C)CC=CC=CC#N;DZXNNABINVWIKY-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288879;MM288879;CC(=O)CC=CC=CC#N;BZBSFQDYPSUJGG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288880;MM288880;N#CC=CC=CCC(N)=O;XUVVPTUJBZOXBO-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288881;MM288881;N#CC=CC=CCC(=O)O;PFAFPRDFBDEYMT-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288882;MM288882;C=C(F)CC=CC=CC#N;HMYDICXTXLXVEM-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288883;MM288883;C=NN=CC=CCC(=N)N;RKLRGUOCNQCLIL-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288884;MM288884;C=CC=NN=CCC(=C)C;DPLOWFRGFGBWJZ-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288885;MM288885;CC(=O)CC=NN=CC=O;UVHIUDNMZCVDBM-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288886;MM288886;N#CC=NN=CCC(=N)N;RGGMYBLGCBNLFZ-UHFFFAOYSA-N;137.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288887;MM288887;N#CC=NN=CCC(N)=O;JYJQAFUHKNEMAY-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288888;MM288888;C=CC=NN=CCC(=C)F;QTPMSICXXFOMGR-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288889;MM288889;C=C(F)CC=NN=CC#N;GDJDZWRPETYTGW-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288890;MM288890;C=CC=CC=CNC(C)=O;ZOFLTAHVCQMPKC-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288891;MM288891;C=CC=CC=CNC(=N)N;AJRZDZGFGUNJSN-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288892;MM288892;N#CC=CC=CNC(=N)N;BDLPLMUNMXEGBQ-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288893;MM288893;CC(=O)NC=NC=CC=O;WACRNDRJRCZXSV-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288894;MM288894;N#CC1(NCCO)CC1;DOSSKPMFWYROBW-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288895;MM288895;C=C(C)N=CN=CNC=N;OPMMXJQQMAEFSS-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288896;MM288896;CC(=N)N=CN=CNC=N;WCFYJVXQMGIRKV-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288897;MM288897;CC(=O)NC=NC=NC=N;OATBBFYEWLQLQD-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288898;MM288898;C=NN=CN=CNC(C)=N;CNWNGMKPXDDVQP-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288899;MM288899;C=NN=CN=CNC(C)=O;UMETYKMPJGWUEG-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288900;MM288900;C=NN=CN=CNC(=N)N;BDSXVFHXSGLKAC-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288901;MM288901;C=CC=CC=NNC(N)=O;VUVBXLZEIHLBLX-UHFFFAOYSA-N;139.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288902;MM288902;N#CC=CC=NNC(N)=O;LJNOINKABJLZLT-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288903;MM288903;CC(=O)OC=CC=CC#N;NWRNHRUMXXXGFU-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288904;MM288904;C=C(C)OC=NN=CC=O;AWFRFBUUTDWWSJ-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288905;MM288905;C=C(C)OC=NN=CC#N;WDTIQMNCZYNYIY-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288906;MM288906;CC(=O)OC=NN=CC=O;YSOYLXZKIIGGOW-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288907;MM288907;C#CC=CC=CCC(C)=O;NTPXRLXONASHCB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288908;MM288908;C#CC=CC=CCC(N)=O;BGRZZCJVJNWFQL-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288909;MM288909;C#CC=CC=CCC(=C)F;KCEAOUVWXSDRJO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288910;MM288910;C#CC=NN=CCC(=C)C;BRTFYFPLTDTQQK-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288911;MM288911;C#CC=NN=CCC(=N)N;KYFIEEUETPDUIO-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288912;MM288912;C#CC=NN=CCC(N)=O;CEKRGWAEUYAURO-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288913;MM288913;O=CCN=c1[nH]oc(=O)o1;CVAOZFNXQAOKHD-UHFFFAOYSA-N;144.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288914;MM288914;C#CC=CC=CNC(C)=O;XCPOAUJHCUJHRB-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288915;MM288915;C#CC=NN=CNC(C)=N;JEAXMVTUZJNDSM-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288916;MM288916;C#CC=NN=CNC(C)=O;NBFROKILLLDTMQ-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288917;MM288917;C#CC=CC=NNC(N)=O;XJLUUPXQTZDXAI-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288918;MM288918;C#CC=CC=COC(=C)C;BQOUJIPIMRMKQC-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288919;MM288919;C#CC=CC=COC(C)=O;KKOHLXCAONCZFH-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288920;MM288920;C#CC=NN=COC(=C)C;CMOCKPJZULAKID-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288921;MM288921;C#CC=NN=COC(C)=O;XAJRRQSTHYCRHV-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288922;MM288922;C#CC=NN=COC(N)=O;ATFVAVDVRJVHIV-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288923;MM288923;CON=CNC=CCO;LSWLIBYDHTZKII-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288924;MM288924;CCC#CC=CCC(C)C;IQQQMMSBQMYQIN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288925;MM288925;CC(C)CC=CC#CCN;NXXBSTKQDHDCFM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288926;MM288926;CC(N)CC=CC#CCN;BOMHSTPFQMABRA-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288927;MM288927;CC(O)CC=CC#CCN;XGMREQIRDIABEI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288928;MM288928;CCC#CC=CCC(F)F;GILFQUIVHNXWED-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288929;MM288929;CCC#CC=NNC(C)C;PMZPSMFRMRJBGS-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288930;MM288930;CC(C)NN=CC#CCF;QYQBRQTUBJYXSG-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288931;MM288931;CCC#CC=COC(C)C;SCCJZFSONPFYCM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288932;MM288932;CCC#CC=NOC(C)C;GFDLPKPQZDTIOR-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288933;MM288933;CC(C)ON=CC#CCN;AMZPHZUKQKMWEP-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288934;MM288934;CN(C)CC=CC#CCN;NNESRZLPRGXDHN-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288935;MM288935;CN(C)CC=CC#CCO;LRBAARLBDYXRTB-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288936;MM288936;CN(C)CC=CC#CCF;MOCAVZTZEHMMJF-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288937;MM288937;C=CC#CC=CCC(C)C;GFGCUPRSKYLTOO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288938;MM288938;CC(C)CC=CC#CC#N;IADDHSSLNKZEHB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288939;MM288939;C=CC#CC=CCC(C)N;DFXGPIPBOPVFEQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288940;MM288940;C=CC(=C)NC(=N)C(N)=O;ZRVPKUDVXWACQN-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288941;MM288941;CC(=N)N=CN(C)C(N)=O;HAVKTCRTTAJSQG-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288942;MM288942;C=CC#CC=CCC(C)F;TUQFZOQYIPAUKI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288943;MM288943;CC(F)CC=CC#CC#N;WXPHLOVZZSMWQG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288944;MM288944;N#CC#CC=CCC(F)F;PVGPBYGDHFJANR-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288945;MM288945;CC(C)NN=CC#CC#N;UYIUYNUSEWZZEB-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288946;MM288946;C=CC#CC=COC(C)C;JKYOQHPLTODLOG-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288947;MM288947;CC(C)OC=CC#CC#N;QRMVSPBYLZONBQ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288948;MM288948;C=CC#CC=NOC(C)C;MTNSBUNEUSUPTQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288949;MM288949;CC(C)ON=CC#CC#N;OFGBVPFXXMDGCZ-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288950;MM288950;C#CC#CC=CCC(C)C;WGGYQOWYKLESJG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288951;MM288951;C#CC#CC=CCC(C)N;ODVZYHXZRSXYEG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288952;MM288952;C=NNC=NCCC(C)O;NAJBTDOGTLXZLU-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288953;MM288953;C#CC#CC=CCC(C)F;NHBAZJLFOVBZIZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288954;MM288954;C#CC#CC=NNC(C)C;QNMAKXYBNTUVQR-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288955;MM288955;C#CC#CC=COC(C)C;AOQATPJXVWMMBB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288956;MM288956;C#CC#CC=NOC(C)C;MPMJKMRYNZVKPA-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288957;MM288957;C#CC#CC=CCN(C)C;AGPRIDUPMBXCJC-UHFFFAOYSA-N;133.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288958;MM288958;C=C(C)CC=CC#CCC;BDQAASVEMQNJBN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288959;MM288959;CCC#CC=CCC(C)=O;IFPDBEHVVZCJFW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288960;MM288960;CC(=O)CC=CC#CCO;ZHIRVZXIJPLQGX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288961;MM288961;CC(=O)CC=CC#CCF;VQLZXBRQQUPNMJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288962;MM288962;CCC#CC=CCC(=N)N;GSMJPHHOWCLIGR-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288963;MM288963;N=C(N)CC=CC#CCO;OMVBXTGSWUVKOA-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288964;MM288964;NC(=O)CC=CC#CCO;ZBBXXKQAZYDCSI-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288965;MM288965;CCC#CC=CNC(C)=N;GGXRKDXCRLGEJM-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288966;MM288966;CCC#CC=CNC(C)=O;AYDVTFFQZABFBA-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288967;MM288967;CC(=O)NC=CC#CCN;OKXRUVFFJJGPCO-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288968;MM288968;CC(=O)NC=CC#CCO;UPMNQPWIJRCOSJ-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288969;MM288969;CCC#CC=CNC(=N)N;DXFPSZWLNQEZPN-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288970;MM288970;N=C(N)NC=CC#CCN;PFTQLQNEUYQNCG-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288971;MM288971;N=C(N)NC=CC#CCF;FXUGLSPUJYVUGU-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288972;MM288972;NCC#CC=CNC(N)=O;IKPLGNHZWLGHES-UHFFFAOYSA-N;139.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288973;MM288973;NC(=O)NC=CC#CCF;ODFJWAWIINWAFM-UHFFFAOYSA-N;142.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288974;MM288974;CC(=O)NN=CC#CCF;AOAJNTGLTHVLOV-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288975;MM288975;CCC#CC=NNC(N)=O;QZRLUYPGHPOAPW-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288976;MM288976;C=C(C)OC=CC#CCN;QFXFXDYHSKHSOU-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288977;MM288977;CCC#CC=NOC(C)=O;PDNVOOZOTFPSJK-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288978;MM288978;CC(=O)ON=CC#CCF;JQZXBYCGISSBNZ-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288979;MM288979;CCC#CC=NOC(N)=O;BQUBWPBCZJVUHE-UHFFFAOYSA-N;140.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288980;MM288980;C=CC#CC=CCC(=C)C;IIGCRXUKPUKFAE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288981;MM288981;C=C(C)CC=CC#CC#N;YCDPCJIZLDVAKF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288982;MM288982;C=CC#CC=CCC(C)=O;KCLLWBWMJYILEB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288983;MM288983;C=CC#CC=CCC(=N)N;YMYFFGCUWAAJCV-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288984;MM288984;N#CC#CC=CCC(=N)N;WBSBNAPBTKBILU-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288985;MM288985;NC(=O)CC=CC#CC=O;ZMHDFSKIFXAGRZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288986;MM288986;C=C(F)CC=CC#CC#N;RTFUCXFFCYVLBB-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288987;MM288987;C=CC#CC=CNC(C)=N;QGYDCMYHDFVZTH-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288988;MM288988;C=CC#CC=CNC(C)=O;LSVIHBAWDYIFQQ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288989;MM288989;CC(=O)NC=CC#CC#N;KQFRXPVTHMYAMU-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288990;MM288990;C=CC#CC=CNC(=N)N;MQFOAYRFINGFLI-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288991;MM288991;N=C(N)NC=CC#CC=O;LNDOXJPFQKXELX-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288992;MM288992;CC(=O)NN=CC#CC=O;JLFSLDBHPTVXIX-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288993;MM288993;CC(=O)NN=CC#CC#N;NLZJBUCEYFZCNM-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288994;MM288994;N#CC#CC=NNC(N)=O;SHVFXCNVIAMSEB-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288995;MM288995;C=CC#CC=COC(=C)C;NRJVYMPYBPADPE-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288996;MM288996;C=C(C)OC=CC#CC#N;JXPULPDKBIZURB-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288997;MM288997;C=CC#CC=COC(C)=O;XOTUXACZWMRABD-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288998;MM288998;CC(=O)OC=CC#CC#N;QJSYEQQSINIQLJ-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM288999;MM288999;CC(=O)ON=CC#CC=O;RMEHWZFTQGDDHL-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289000;MM289000;C#CC#CC=CCC(=C)C;NADTWUVCMPWEEO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289001;MM289001;C#CC#CC=CCC(C)=O;BMKMSRCGEZGLLC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289002;MM289002;C#CC#CC=CCC(=N)N;OLZNHWIUNMJQOP-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289003;MM289003;C#CC#CC=CCC(N)=O;GFKOSUKRYUEKRW-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289004;MM289004;C#CC#CC=CCC(=O)O;ZQIHHZSDVPFVQB-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289005;MM289005;C#CC#CC=CCC(=C)F;GZLBYFRFPDADJD-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289006;MM289006;C#CC#CC=CNC(C)=N;YOIXPIXFXBTYGH-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289007;MM289007;C#CC#CC=CNC(C)=O;IBZNBKOXYXZXNV-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289008;MM289008;C#CC#CC=CNC(=N)N;KDIFZGVWMMHPAV-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289009;MM289009;C#CC#CC=CNC(N)=O;DOGJYDPEKZUNFD-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289010;MM289010;C#CC#CC=COC(=C)C;RLIVSPHJZFMBSF-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289011;MM289011;C#CC#CC=COC(C)=O;UCXDTSAABBBJBX-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289012;MM289012;C#CC#CC=NOC(C)=O;UONGTJKXHIHOIY-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289013;MM289013;C=NOC(=N)NC=CCO;LEJOLVXEEHGSBJ-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289014;MM289014;CC(N)CC#CCNC=N;WCIWURNVFDXDRR-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289015;MM289015;CC(N)CC#CCNC=O;KOSWRUZNSNOOKQ-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289016;MM289016;N=CNCC#CCC(F)F;CTVCAWUYIHONHE-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289017;MM289017;CC(N)CC#CCOC=O;JCZAOPFFSMYBQU-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289018;MM289018;CCON=CC(C)=CCO;YKKLVJOTPLTASM-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289019;MM289019;O=COCC#CCC(F)F;YFGZBIZDGBKVFZ-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289020;MM289020;CN(C)CC#CCNC=N;LSWMIVKYZNRWMK-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289021;MM289021;C#CCCC#CCC(C)C;JCOKNTPNERDHAE-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289022;MM289022;C#CCCC#CCC(C)N;IQXNWEPWSGUHFZ-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289023;MM289023;C#CCCC#CCC(C)F;NRWJJWLWEZCWDM-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289024;MM289024;C#CCCC#CCC(F)F;WMVHHUVJVKSRIY-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289025;MM289025;N=C(N)CC#CCCCN;OKVSMKJEBBMACX-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289026;MM289026;NC(=O)CC#CCCCF;ICUBGOFIMANXSC-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289027;MM289027;O=C(O)CC#CCCCF;ULFVVNSLRNNZTJ-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289028;MM289028;COCCC#CCC(=N)N;GFFGPIHJJGZUOQ-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289029;MM289029;COCCC#CCC(N)=O;XEDHEMRHPNLZNT-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289030;MM289030;CCNCC#CCC(C)=O;KURCYZRSKAYSSM-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289031;MM289031;CCNCC#CCC(=N)N;DWPFXWIPCCUBDX-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289032;MM289032;C=C(C)CC#CCOCC;CZIGGXYRCYZZSU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289033;MM289033;CCOCC#CCC(=N)N;KJFIZGURFUMCTG-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289034;MM289034;CCOCC#CCC(N)=O;WBGDMWPFLJWNKD-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289035;MM289035;C=CCCC#CCC(=N)N;HLADYPOPGJMCIP-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289036;MM289036;C=CCCC#CCC(N)=O;UOJTVCFTMWRECE-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289037;MM289037;N#CCCC#CCC(=O)O;YSELUTJHPCEBJL-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289038;MM289038;C=CCCC#CCC(=C)F;OKOQTJMQLGTGJF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289039;MM289039;N=CNCC#CCC(=N)N;GFJOFJTVPQUIRA-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289040;MM289040;C=C(F)CC#CCNC=O;DZGNLLKTOYKMGX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289041;MM289041;C#CCCC#CCC(=C)C;FPCVRLUASZULDQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289042;MM289042;C#CCCC#CCC(=N)N;WEBWOHSLKUMLIM-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289043;MM289043;C#CCCC#CCC(N)=O;KFNLITKSBADRSA-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289044;MM289044;C#CCCC#CCC(=O)O;IBECUQMGDXQCJP-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289045;MM289045;C#CCCC#CCC(=C)F;HHBHHUXIGDRTRU-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289046;MM289046;CC=CCC#CCC(C)C;CODQATULGRKFJS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289047;MM289047;C=C(C)CC#CCC=CC;IKEAOYCGINBNTB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289048;MM289048;CC=CCC#CCC(C)=O;SZFLYUOJOBWCLE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289049;MM289049;CC=CCC#CCC(=N)N;BREWVYRZWPATSU-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289050;MM289050;CC=CCC#CCC(N)=O;JMIYJDOJEPMSGJ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289051;MM289051;NC(=O)CC#CCC=CF;CNBRMAUGEWKPMA-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289052;MM289052;CC=CCC#CCC(=O)O;ASQMQVKFYOAEFO-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289053;MM289053;C=C(F)CC#CCC=CC;FAQDXLUHUZKWPI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289054;MM289054;N=C(N)CC#CCC=NN;UUNCGEBQVYQFBO-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289055;MM289055;CC#CCC#CCC(C)C;QCKKWQFGJLZEMK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289056;MM289056;CC#CCC#CCC(C)N;AEIRVJGKRVBEIO-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289057;MM289057;C=C(C)CC#CCC#CC;GMDBDQFVYOXXGX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289058;MM289058;CC#CCC#CCC(C)=O;ZZMLRXLUBGQJBM-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289059;MM289059;CC#CCC#CCC(=N)N;OZDYTDRNFDQOJE-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289060;MM289060;CC#CCC#CCC(N)=O;JVWGTIQAUUFIED-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289061;MM289061;CC#CCC#CCC(=O)O;YNFRYTVVENISMR-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289062;MM289062;C=C(F)CC#CCC#CC;XPRIJHPELFAGKN-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289063;MM289063;CNN=CC#CCC(C)N;SAJIRWPBZYGXOM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289064;MM289064;CN(C)CC#CC=CCN;TXSGYIXJPLBHBB-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289065;MM289065;C=CC=CC#CCC(C)C;DIODJCMNUISAQP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289066;MM289066;CC(C)CC#CC=CC#N;DCDPIKZILNMFQL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289067;MM289067;C=CC=CC#CCC(C)N;JRFDSBYLLSRFPO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289068;MM289068;C=CC=CC#CCC(C)F;VJGMMZQLXSXJFE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289069;MM289069;C#CC=CC#CCC(C)C;NVSUWPCRIHAWRM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289070;MM289070;C#CC=CC#CCC(C)N;PWVDPYZQSLIVPU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289071;MM289071;C=C(C)CC#CC=CCC;INGNFGNLABJOKZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289072;MM289072;CCC=CC#CCC(C)=O;TYBOPNMJAASSTM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289073;MM289073;CC(=O)CC#CC=CCO;SCOGFQYKIFSHFK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289074;MM289074;CCC=CC#CCC(=N)N;GLZYVPSMCUERAV-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289075;MM289075;N=C(N)CC#CC=CCF;CMWPAJLPGBQNOG-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289076;MM289076;NC(=O)CC#CC=CCF;OJPQKFYBZDZTCG-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289077;MM289077;COC=CC#CCC(=N)N;HOXPNGNKHSAZIR-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289078;MM289078;COC=CC#CCC(N)=O;FVSMYMAGKICXNY-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289079;MM289079;CC(C=NOC=O)=CCO;AFORJGFHQKGBAG-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289080;MM289080;C=CC=CC#CCC(=C)C;HJCBJFGVLMDVGG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289081;MM289081;N#CC=CC#CCC(=N)N;AQNCQLLSQJZWMD-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289082;MM289082;C=CC=CC#CCC(N)=O;LULVWBNPYHEWHW-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289083;MM289083;C=CC=CC#CCC(=O)O;PGDVBZCTIKAYIC-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289084;MM289084;C=C(F)CC#CC=CC#N;CKVKZWVFCGMJGJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289085;MM289085;C=NN=CC#CCC(=N)N;HXWVBNFANPMGSL-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289086;MM289086;C=NN=CC#CCC(N)=O;WGJVGZRPQJQXJJ-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289087;MM289087;C#CC=CC#CCC(=C)C;IIBNHZYFFONEIR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289088;MM289088;C#CC=CC#CCC(C)=O;SXWWJXLYDCGZEA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289089;MM289089;C#CC=CC#CCC(=N)N;FWIXUJNCUUEMBA-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289090;MM289090;C#CC=CC#CCC(N)=O;WUEZMAPYRXTYMW-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289091;MM289091;C#CC=CC#CCC(=O)O;QYSISHUDTSICKX-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289092;MM289092;C#CC=CC#CCC(=C)F;RCIQSNADHVZMPN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289093;MM289093;CCC#CC#CCC(C)C;ZKNIBFSPOGHCOZ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289094;MM289094;CC(C)CC#CC#CCN;FLIOYFXAZYKPET-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289095;MM289095;CC(C)CC#CC#CCO;YHPHIWWDLCKMPV-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289096;MM289096;CC(C)CC#CC#CCF;IDTCTYDMGNGKTB-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289097;MM289097;CCC#CC#CCC(C)N;TVCFKGBAVFGRFS-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289098;MM289098;CC(N)CC#CC#CCN;FJSUSQQMFMEAEE-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289099;MM289099;CC(N)CC#CC#CCO;CDPNROWJENMPQN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289100;MM289100;CC(N)CC#CC#CCF;OEPPGGVRZZYBSV-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289101;MM289101;CCC#CC#CCC(C)O;QAEOIAAAJIKBMM-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289102;MM289102;CCC#CC#CCC(C)F;BUFFDFCPQKLAKQ-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289103;MM289103;CC(F)CC#CC#CCN;VGMJSFOEPFJBJL-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289104;MM289104;CCC#CC#CCC(F)F;MCJUYENFNNRKFE-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289105;MM289105;CN(C)CC#CC#CCN;BWGXVLVDOKKPRR-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289106;MM289106;C=CC#CC#CCC(C)C;NQCNJIOTKWZPCO-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289107;MM289107;CC(C)CC#CC#CC=O;UIWLMGWQWCIUKK-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289108;MM289108;CC(C)CC#CC#CC#N;UJEFBZLNXIZVGK-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289109;MM289109;C=CC#CC#CCC(C)N;KYFGUEPXLQLZSD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289110;MM289110;C=CC#CC#CCC(C)O;IDCLOPCRQFGWLT-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289111;MM289111;CC(O)CC#CC#CC=O;VWUDZXQDBIISLJ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289112;MM289112;CC(O)CC#CC#CC#N;PLBVMKYCSVLALC-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289113;MM289113;C=CC#CC#CCC(C)F;FCPRICJKLKHVOM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289114;MM289114;CC(F)CC#CC#CC#N;YZFBTMZNJHQLEJ-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289115;MM289115;C=CC#CC#CCC(F)F;HBQNPCOYACKJTI-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289116;MM289116;N#CC#CC#CCC(F)F;XJEJFBYJMRTSDR-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289117;MM289117;C#CC#CC#CCC(C)C;QCGOIUJLEJTMBY-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289118;MM289118;C#CC#CC#CCC(C)N;PMWOINWRGQUNPH-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289119;MM289119;C#CC#CC#CCC(C)O;ZPVTZDDMAKDCKX-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289120;MM289120;C#CC#CC#CCC(C)F;VPCJXRINDNAEON-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289121;MM289121;C#CC#CC#CCC(F)F;CVBDPRWABZHWEI-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289122;MM289122;C=C(C)CC#CC#CCC;OCXYERXPLIQEBZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289123;MM289123;C=C(C)CC#CC#CCN;JPMTVEFBOVVGAV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289124;MM289124;C=C(C)CC#CC#CCF;RRRIUVCHTHLAMM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289125;MM289125;CCC#CC#CCC(C)=O;RAPQRWMYBSDVNU-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289126;MM289126;CCC#CC#CCC(=N)N;PKFUSOIFFBGJKO-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289127;MM289127;N=C(N)CC#CC#CCF;PIZHQPUGWGGGGA-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289128;MM289128;CCC#CC#CCC(N)=O;HCYOWYMUMRLYKJ-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289129;MM289129;NC(=O)CC#CC#CCF;ISUCPZFMSIELDH-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289130;MM289130;CCC#CC#CCC(=O)O;QBMCQFYTJKPNFH-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289131;MM289131;C=C(F)CC#CC#CCC;XUIKFKOYDKVLAS-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289132;MM289132;C=C(F)CC#CC#CCN;NLYVTTXLKKZXPP-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289133;MM289133;C=CC#CC#CCC(=C)C;SUMHXSHBVGFUCM-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289134;MM289134;C=C(C)CC#CC#CC#N;BEOKBKNRKFIBHL-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289135;MM289135;C=CC#CC#CCC(C)=O;YTNSIMYBJVPISU-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289136;MM289136;CC(=O)CC#CC#CC=O;PJOSJKARIIOMOL-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289137;MM289137;CC(=O)CC#CC#CC#N;LDPKKJVKYIILAR-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289138;MM289138;C=CC#CC#CCC(=N)N;CFWPSUMEOLCSDS-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289139;MM289139;N=C(N)CC#CC#CC=O;WFOQNQLJUDSDAK-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289140;MM289140;N#CC#CC#CCC(=N)N;ZRIIUSZPBDBPPQ-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289141;MM289141;C=CC#CC#CCC(N)=O;DEPKKLSLSMCXNC-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289142;MM289142;NC(=O)CC#CC#CC=O;WXHIALMLJFAJEC-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289143;MM289143;C=CC#CC#CCC(=O)O;TUOGAALYYBSEPF-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289144;MM289144;N#CC#CC#CCC(=O)O;YAUOKUPZCLVRKF-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289145;MM289145;C=CC#CC#CCC(=C)F;TWNKTOCBFMWLCA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289146;MM289146;C=C(F)CC#CC#CC#N;YPHJALDNFOHIIJ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289147;MM289147;C#CC#CC#CCC(=C)C;RRNOUMSJDGQNOX-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289148;MM289148;C#CC#CC#CCC(C)=O;DDTHIIOYKRISIS-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289149;MM289149;C#CC#CC#CCC(=N)N;KPOJMHBRDUDDDQ-UHFFFAOYSA-N;130.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289150;MM289150;C#CC#CC#CCC(N)=O;LFCGKRXGVZQRRE-UHFFFAOYSA-N;131.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289151;MM289151;C#CC#CC#CCC(=O)O;MQYVSBYVLWTEPC-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289152;MM289152;C#CC#CC#CCC(=C)F;FPSQIUKBHXRYNN-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289153;MM289153;CC(N)C=CCCCCN;XGBOUYYKSRVUBI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289154;MM289154;CC(N)C=CCCCCO;ZUBPEEHBLSRLKU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289155;MM289155;CC(N)C=CCCCCF;OZUCSAUPAIZXJA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289156;MM289156;NCCCCC=CC(F)F;ZARUXBQKSNRVRT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289157;MM289157;CNCCCC=CC(C)C;LDPGGAGJCPDVEQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289158;MM289158;CNCCCC=CC(C)N;CKYKGFNUEYHRKA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289159;MM289159;CNCCCC=CC(C)O;RNSUNDVPCNUCTC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289160;MM289160;CNCCCC=CC(F)F;AUFJIYODAXJPDL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289161;MM289161;COCCCC=CC(C)N;SVDOGSJHJXOJIJ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289162;MM289162;CCNCCC=CC(C)C;HVARATCYJFVROP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289163;MM289163;CCNCCC=CC(C)N;WIQQNTVBLVOJAW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289164;MM289164;CCNCCC=CC(C)O;VGQJJRPMYVWCAX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289165;MM289165;CCOCCC=CC(C)C;ZFYJKDBZPVYCNF-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289166;MM289166;CCOCCC=CC(C)N;OHMPWWBOPNREEV-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289167;MM289167;CC(C)C=CCNCCN;KLOAEEDGFHWZEI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289168;MM289168;CC(C)C=CCOCCN;WFNUEICHYNPHCE-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289169;MM289169;NCCOCC=CC(F)F;FQPMLGADNOSHGI-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289170;MM289170;COCOCC=CC(C)N;VXKSIEQXIAEEIH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289171;MM289171;COCOCC=CC(C)F;ITGKLDOTFUPFSS-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289172;MM289172;CC(O)C=COCCCN;XKXUTUBTFLGHBQ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289173;MM289173;CC(F)C=COCCCO;JQGRXIGTBCHNGE-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289174;MM289174;NCCCOC=CC(F)F;OVJLGPRVDHXOIZ-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289175;MM289175;CNCCOC=CC(F)F;RRMRVGZFAXRYHC-UHFFFAOYSA-N;151.16;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289176;MM289176;COCCOC=CC(C)N;UFFRCBVACHYNSG-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289177;MM289177;COCCOC=CC(C)O;QHMPOOSKFNJITM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289178;MM289178;CCOCOC=CC(C)O;JYZOXBCUSLAQPF-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289179;MM289179;CC(N)C=NNCCCN;ICAJGRHTUBMYJD-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289180;MM289180;C=CC(C#N)C(=C)C(N)=O;MNTCEPABZLEETE-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289181;MM289181;CN=CN=CN(C)C(N)=O;PFNNZROFISFENY-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289182;MM289182;CNCCNN=CC(C)N;QBKODYSNJJFBDL-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289183;MM289183;CNCCNN=CC(C)O;IDZYDQOQLOKZFD-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289184;MM289184;CC(C)C=NOCCCN;VLUBQHDFTLENTJ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289185;MM289185;CCCCON=CC(C)N;GXJLVJDHRORECA-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289186;MM289186;CC(N)C=NOCCCF;ADPNFAGLHUUNII-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289187;MM289187;C=CCON=C(C)C(N)=O;UBMCAIULJNAYAR-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289188;MM289188;C=CCC(C=NN)=CCO;NCMZOTQDMIOFFA-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289189;MM289189;CNCCON=CC(F)F;ALKCWTHDGDLXHX-UHFFFAOYSA-N;152.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289190;MM289190;COCCON=CC(C)N;ZRBXNARVAGHOMS-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289191;MM289191;CCNCCN=CN(C)C;GVMPNYDERSRQQM-UHFFFAOYSA-N;143.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289192;MM289192;CN(C)C=NNCCCO;UYIGZVKACBLEJZ-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289193;MM289193;CN(C)C=NNCCCF;PMWSNSURQUWGFX-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289194;MM289194;CNCCNN=CN(C)C;IYYIPWIKAFMMBA-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289195;MM289195;C#CCC(C=NN)=CCO;IHLKFGTXHXNNLV-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289196;MM289196;CN(O)C=NOCCCN;OEGINXVZBPMQIM-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289197;MM289197;COC=C(C=CF)C(N)=O;PIALGQMKJUSUPN-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289198;MM289198;CNCCON=CN(C)N;KZCNAHFCGPOBHY-UHFFFAOYSA-N;146.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289199;MM289199;CNCCON=CN(C)O;DWGNPIGWHHOKLX-UHFFFAOYSA-N;147.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289200;MM289200;C#CCN(C(N)=O)N(C)C;KFGQEKXHZJSIAN-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289201;MM289201;CN(C)N=CCNCCN;GHWZOPRMQLIUHM-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289202;MM289202;CN(C)N=CCOCCN;XHLXDUGLPRCJRG-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289203;MM289203;CCC(C)(C#N)NCCO;FADQSJDRGLINPD-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289204;MM289204;CN(C)N=CCOCCF;LBIMIJQWBJHIDG-UHFFFAOYSA-N;148.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289205;MM289205;CCCCOC=NN(C)C;FOJPXLKLENIIEW-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289206;MM289206;CN(C)N=COCCCN;SHLBARSZPUZZEH-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289207;MM289207;CC(C=O)(C=O)NCCO;ZMSBISFXWVMMOH-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289208;MM289208;CNCCOC=NN(C)C;AKKZFEIIBPJFGV-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289209;MM289209;C=CCCCC=CC(C)C;LZXQZTFQXIDEJR-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289210;MM289210;CC(C)C=CCCCC#N;ZTBDLNFEKREFCZ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289211;MM289211;CC(C#N)(C#N)NCCO;UANKSWRGDQGFBE-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289212;MM289212;CC(N)C=CCCNC=O;OBRPELNURNWLFY-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289213;MM289213;CC1(C)CN1C(C#N)C=O;QHMWAUVPHOKRFT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289214;MM289214;C=CCNCC=CC(C)C;RNBLNXGRSNOXCS-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289215;MM289215;CC(C)C=CCNCC#N;OFTKQQJOZMAZHJ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289216;MM289216;C=CCNCC=CC(C)N;URFYJBHJBAREMH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289217;MM289217;CN(C=CCO)C(=N)C#N;QXMBJDFFTARKEO-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289218;MM289218;C=CCOCC=CC(C)O;SFRILYIGIIQKAZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289219;MM289219;CC(C)C=CCONC=N;DGGHXLZXPVFIDC-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289220;MM289220;CC(O)C=CCONC=N;WQUAVELEOICPEC-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289221;MM289221;CC(O)C=COCCC#N;LBGLAIJPVGIZNV-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289222;MM289222;N#CCCOC=CC(F)F;JAPCQVWYLPDCEY-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289223;MM289223;C=COCOC=CC(C)O;GWWVHYSZHUPSFW-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289224;MM289224;CC(F)C=COCOC=O;IUPXLKORGCZAHL-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289225;MM289225;C=NOCOC=CC(C)F;GWMSNPMUVMMWTB-UHFFFAOYSA-N;147.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289226;MM289226;C=NOCOC=CC(F)F;TYZFRGAXPQUAOK-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289227;MM289227;C=CCCNN=CC(C)C;FUTCLNQWQCJYHH-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289228;MM289228;C=NNCC#CC(=C)CO;ADCIDJJYTAOKKX-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289229;MM289229;COCC(C#N)NCCO;VEEYTNSQYSAFRC-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289230;MM289230;C#CCC(C#N)NCCO;QBNYSWSEBQMGSA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289231;MM289231;C#CC(CC#N)NCCO;RWVHTNXOZZRWKA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289232;MM289232;C=CCCON=CC(C)N;DBDNGCPEFPORMW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289233;MM289233;CON=C(C=CCO)NN;HKVWQEWXORMQDV-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289234;MM289234;C=NNC(C=CCO)=NN;SQYDQJIKHYOJJE-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289235;MM289235;CC#CC(C=CCO)=NN;VQYGZRKUESGAFN-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289236;MM289236;CCC(C=NNC)=CCO;BWIBBGGWURYALQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289237;MM289237;C=COCON=CC(C)N;ZUDOOFPDRLUCQA-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289238;MM289238;CC(N)C=NOCOC=O;JDMLGTXSCABHCI-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289239;MM289239;CNN=C(C=O)C=CCO;YYZYPJKTWVAMQI-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289240;MM289240;CON=C(C=O)C=CCO;UXXKPDRFCBEAGY-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289241;MM289241;CNC(N)=C(CF)C(N)=O;MMNYXJGBSRESDZ-UHFFFAOYSA-N;147.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289242;MM289242;CC(F)C(C#N)NCCO;LLRISGBNWNSCGA-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289243;MM289243;CN(N)C=NOCOC=O;KZDLRXMAJLSOLF-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289244;MM289244;C=C(C)C(C#N)NCCO;LTRGSAIJBXMEDI-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289245;MM289245;C=NOCON=CN(C)N;NCNYMZMWQLPJRD-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289246;MM289246;C=C(F)C(C=O)NCCO;FGEZXOVFIJNUOE-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289247;MM289247;C=C(F)C(C#N)NCCO;VPDAALRPLYYFNQ-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289248;MM289248;C#CCCCC=CC(C)C;YCDMLPLSDDPDCY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289249;MM289249;C#CCCCC=CC(F)F;KXVRFKMADNOTPD-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289250;MM289250;C#CCCOC=CC(C)C;UDFCAYUXTWBUBD-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289251;MM289251;C#CCCOC=CC(C)F;AKQGEYRJLQUHFA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289252;MM289252;C#CCCNN=CC(C)C;JURVYEGQSWRSME-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289253;MM289253;NN=C(C=CCO)C(F)F;XGERUKAKEPWLOP-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289254;MM289254;N#CC(=CN)CNCCO;XVLVXFQNXOKYAG-UHFFFAOYSA-N;141.17;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289255;MM289255;N=C(N)C=CCCCCF;AZXHHKUVOZHHOS-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289256;MM289256;NCCCCC=CC(N)=O;QXPREMTVKFNCIF-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289257;MM289257;COC(=NN)NC=CCO;CDUSNJSTBCSZCO-UHFFFAOYSA-N;145.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289258;MM289258;C=C(F)C=CCCCCN;USPRXUSVYNGOKG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289259;MM289259;C=C(C)C=CCCCNC;AWRJISJAZUAHRY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289260;MM289260;COCCCC=CC(=N)N;HZSATYZNWFIZCM-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289261;MM289261;C#CCN(C)C(C#N)C=O;XKVNGQJPHLZGBE-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289262;MM289262;C=C(C)C=CCCNCC;GFANUHYPRIEDCA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289263;MM289263;C=C(C)C=CCCOCC;AOONQMYMWZATKI-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289264;MM289264;C=C(C)C=CCNCCC;SPUXHEZVBDTMFG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289265;MM289265;CC(=O)C=CCNCCO;OLISBMWHNLZUAY-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289266;MM289266;CC(=O)C=CCOCCO;BMAJUWDXVNYZSL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289267;MM289267;CCON=CNC=CCO;KTDWRCVNNHDZKM-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289268;MM289268;C=NNC=NCC(=O)O;GGUXWAHWIKHADA-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289269;MM289269;CCCCNC=CC(=N)N;NSQMYFCCVOOVPZ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289270;MM289270;CC=NN=CNC=CCO;WEFQPCKZPQWVQP-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289271;MM289271;CC(O)CC1CN1C;ZYPIDUXBQJPPIJ-UHFFFAOYSA-N;115.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289272;MM289272;C=NNC(=CC(=O)O)NC;IYQLNRAEMMNEIX-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289273;MM289273;COCCNC=CC(C)=O;QOYDKAFQPOYYPA-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289274;MM289274;C=C(C(=O)O)C(N)=NOC;LXIAMYOBJBFTJT-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289275;MM289275;N=C(N)C=COCCCO;WKRCIPFDOMWVKJ-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289276;MM289276;NNc1cc(N)on1;VWXFXPSIZFBLIF-UHFFFAOYSA-N;114.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289277;MM289277;N#Cc1c[nH]c(N)c1;YDUXRSCWGMDQNJ-UHFFFAOYSA-N;107.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289278;MM289278;O=c1[nH]nno1;QPFVYTIMLAFERT-UHFFFAOYSA-N;87.04;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289279;MM289279;CNCCOC=CC(C)=O;IZDCJPDZVBSNRY-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289280;MM289280;CNCCOC=CC(=N)N;ZLJJRPOIDZZOQY-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289281;MM289281;CNCCOC=CC(N)=O;HRQDVZCOKFHURE-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289282;MM289282;COCCOC=CC(=N)N;BRUAIHDWFUTZKB-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289283;MM289283;C=C(C)C=COCOCC;IXXSZTNDPGVBPE-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289284;MM289284;C=C(F)C=COCOCC;OHZASQHBDMFLHJ-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289285;MM289285;C=C(C)C=NNCCCC;AYBIPXMMFNFGKJ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289286;MM289286;C=C(C)C=NNCCCN;CNXVCLGGUKTCHB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289287;MM289287;C=C(C)C=NNCCCF;WKXBUACLJNWZPP-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289288;MM289288;Nc1n[nH]c(F)c1N;KMROKSUTTCUQNM-UHFFFAOYSA-N;116.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289289;MM289289;C=NN=CC=CCO;DPALFKJXJUWTJF-UHFFFAOYSA-N;112.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289290;MM289290;C=C(F)C=NNCCNC;BAGMJWOKKAURMI-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289291;MM289291;COCCNN=CC(=N)N;LAAKRWXHTSQIGM-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289292;MM289292;C#Cc1conc1N;OSTCWOYAAOCMJX-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289293;MM289293;N=C(N)C=NOCCCO;KHXFUJJFHAZFSI-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289294;MM289294;N=C(N)C=NOCCCF;CVGMSJIZNQXISH-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289295;MM289295;N#Cc1cc[nH]c1N;HGUUICKROVJTES-UHFFFAOYSA-N;107.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289296;MM289296;C=COC(=O)CCC(=O)O;LYHBGVUSOICOJU-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289297;MM289297;C=C(C)C=NOCCNC;ZAPHGPPTBBVPEA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289298;MM289298;CCC(F)=C(C)C(N)=O;OCHUOTUHWWCQKW-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289299;MM289299;Cc1[nH]c(CF)nc1N;RCLOJZIQTWDVRQ-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289300;MM289300;C=C(C)C=CCCCC=O;ZWMSZRPQYGREHB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289301;MM289301;C=CCCCC=CC(=N)N;SQTSEQVMMCUHOP-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289302;MM289302;CC(O)CC1NC1C=O;NRPJXLSTPYQGIN-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289303;MM289303;C=C(F)C=CCCCC#N;ATHYLYFQUWBJAQ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289304;MM289304;C=NNCCC=CC(=C)C;MQZZXTPLSIOAFR-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289305;MM289305;CC(=O)C(C(=O)O)=C(C)C;SBBDURZSDVGTAG-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289306;MM289306;C=COCCC=CC(=N)N;WELHVGCKHPWDMN-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289307;MM289307;C=NN1CC1CC(C)O;RRTNEFOXXZPVFY-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289308;MM289308;C#CC1NC1CC(C)O;YOLZZTBSAHRMCL-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289309;MM289309;C=C(F)C=CCNCC#N;SWTRMNRQWNNJSW-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289310;MM289310;NC(=O)C1NC1CC=O;FVFHOUFETABERS-UHFFFAOYSA-N;128.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289311;MM289311;N#CCOCC=CC(=N)N;RODZVTAFHPSNBG-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289312;MM289312;CCC(C=CCO)=NN;QZGHJTBYNXIYIQ-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289313;MM289313;C=C(C)C=CCONC=N;ADKGEBCCUNIWHB-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289314;MM289314;C=C(C)C=CCONC=O;MKPCALXSYMYRBM-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289315;MM289315;C=CCCOC=CC(=N)N;BKVUBFVFOWTODB-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289316;MM289316;C=CC(C=CCO)=NN;OFDJMJJCRJNRAJ-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289317;MM289317;C=C(F)C=COCCC#N;NTBRVZXGLJGXHA-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289318;MM289318;C=COCOC=CC(=C)C;ZMQWPOLELMDKLD-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289319;MM289319;N=C(N)C=COCOC=O;GZUNDVAXIOTIFL-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289320;MM289320;Cc1c(O)oc(=O)n1O;HWUYFMMCUAZJQP-UHFFFAOYSA-N;131.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289321;MM289321;C=COCOC=CC(=C)F;KQEBDCGMEAKUFH-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289322;MM289322;C=C(F)C=COCOC=O;NPIHPZYNQQBXAQ-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289323;MM289323;C=NOCOC=CC(=C)C;QVOBIOOTBZTUAN-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289324;MM289324;C=NOCOC=CC(=C)F;MMYWQIDDOZELSX-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289325;MM289325;C=CCCNN=CC(=C)C;KZJFCQKUPJPFSD-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289326;MM289326;CCON=CC=CCO;QQSVUDIGCXTANB-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289327;MM289327;N=C(N)C=NNCCC=O;NCFFRCVCULADOR-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289328;MM289328;C#Cc1cc(=O)n(O)[nH]1;JRNVLBZDMVAFCD-UHFFFAOYSA-N;124.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289329;MM289329;CC=NNC(C)CC(C)O;UKKZBCLXQRKCNV-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289330;MM289330;C=C(F)C=NOCCC#N;YRSXVJAYXKUVOH-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289331;MM289331;N=C(N)C=NOCOC=O;SNHSDYHNKCCIHR-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289332;MM289332;C=COCON=CC(=C)F;SMTJBMAMHGLCQR-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289333;MM289333;NC(=O)C=CC(=O)CCO;MHFUFZTUSWUYCO-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289334;MM289334;C=NOCON=CC(=C)F;AWCRDCMDZDNEKZ-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289335;MM289335;CN(C=NN)N=CC(N)=O;RTRVJTIXKZTDCN-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289336;MM289336;C#CCNCC=CC(=C)C;ALDZWTVZXNHMGE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289337;MM289337;C#CCOCC=CC(C)=O;GLFOQBDEEFVZHH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289338;MM289338;CC(O)CC=C(F)C=NN;WQBAXZRLHDNQQE-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289339;MM289339;C#CCCOC=CC(=N)N;YUJRSSWEQXXZID-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289340;MM289340;C#CCCNN=CC(=C)F;QMSULXCNPFOHLZ-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289341;MM289341;C#CC(C)NN=CC(N)=O;UCUFPAYAQLBLBC-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289342;MM289342;CC=CCCC=CC(C)C;NTQFHGHRXDEOMB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289343;MM289343;CC(N)C=CCCC=CF;NBRDKKSZVBJLSS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289344;MM289344;CC(O)CC1NC1(C)C#N;LHWBOOYZAWPLAI-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289345;MM289345;NN=CCNN=CC(N)=O;SJIHUWSUHQFPFQ-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289346;MM289346;CN=CNCC=CC(C)C;CMGMAIWASNDBME-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289347;MM289347;CC(C)C=CCN=CNN;VIURDBIKSDJUMU-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289348;MM289348;CN=CNCC=CC(C)N;SAPJGDMTGCUFOT-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289349;MM289349;CN=CNCC=CC(C)F;OGBJNQWQYOLVGF-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289350;MM289350;CC=NNCC=CC(C)C;AEQRRQIUFZUXMG-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289351;MM289351;CC=NNCC=CC(F)F;MIUYSWLOCQQZDO-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289352;MM289352;CC=CCOC=CC(C)N;DVFWJVJULGLYOJ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289353;MM289353;CC=CCNN=CC(C)C;FUTDYGKIEBNNFP-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289354;MM289354;CCCC=NN(C)C(N)=O;PHCFMAIUTNCQOI-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289355;MM289355;CN(C=NN)N(C)C(N)=O;LIIJGSWDIMLVIE-UHFFFAOYSA-N;145.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289356;MM289356;CC=CCON=CC(C)N;KFKDSOIMWDPZEW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289357;MM289357;C=CC=C(CC#N)C(N)=O;KQSFHORLKYYDMH-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289358;MM289358;CN(C)C=NCCC=NN;ISCMKLSKFWLBFR-UHFFFAOYSA-N;142.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289359;MM289359;C=C(C)N(C=NN)C(N)=O;CYGCFKYOAVCMBC-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289360;MM289360;CN(N)C=NOCC=CF;PVRKTNMZQXIGCM-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289361;MM289361;Nc1nc(=O)c(F)cn1N;JJQNEKUCKJBLON-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289362;MM289362;CCC(C#CC(F)F)=NN;JNLRFICPXZWNOA-UHFFFAOYSA-N;146.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289363;MM289363;CN(C)N=CCOC=CF;SLWPJTSMCGQJQX-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289364;MM289364;C=C(C=CCO)OC=NN;ONSCSDUUNKTIQD-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289365;MM289365;CC=NOCC=NN(C)C;LVQRWRYVTMGOPH-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289366;MM289366;CC=CCOC=NN(C)C;LREDNCWWNSYELI-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289367;MM289367;CN(C)N=COCC=NN;DAVGFBHHZJLASF-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289368;MM289368;C=C(C)C=CCCC=CC;RZFLJARTQJTKDV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289369;MM289369;CC(=O)C=CCCC=CF;CMWGRMQCRUDRIF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289370;MM289370;N=C(N)C=CCCC=CF;NMBKLEWUIMPGSM-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289371;MM289371;CCON=C(C)C=CCO;MZVQYALRLHIBRH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289372;MM289372;C#CC(F)CC#CC=NN;XJDNYWKDTHGROD-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289373;MM289373;CC=NNCC=CC(=N)N;LRYAATVGBTVUTA-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289374;MM289374;C=C(C)C=CCOC=CC;ZTQWDFJWKFSCSV-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289375;MM289375;CN(C=N)N=CC=CCO;VPHADNCBRWLUBG-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289376;MM289376;N=C(N)C=CCOC=NN;AOOCORKQHCUJRJ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289377;MM289377;N=C(N)C=CCOC=NO;OQMAHNLSZLGSGS-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289378;MM289378;CC=CCNC=CC(=N)N;FONKEVMVDPGNEH-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289379;MM289379;N=C(N)C=CNCC=CF;YRXDFXQXOPKQCZ-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289380;MM289380;CN(C=O)N=CC=CCO;DXHKPFNSMSHABC-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289381;MM289381;N=C(N)C=CNN=CNO;OPLNXUUHWVZSEC-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289382;MM289382;C=CCNC(=O)C1(C)CN1;IQTXDGDUKFJJLG-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289383;MM289383;N=C(N)C=COCC=NN;ZMVZEBXKMYPVQH-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289384;MM289384;C=CCC(C=CCO)=NN;DDLVSWSINSRKDB-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289385;MM289385;C=C(C)C=NNCC=NN;HEGVZKWSXXKGKE-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289386;MM289386;C=C(C)C=NNCC=NO;DTRAIEWKGGMHLP-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289387;MM289387;C=NNCC(=CCO)CF;WUALUOHTBKWEBT-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289388;MM289388;NC(=O)C=NNCC=NO;MZIOTNBETLDPBP-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289389;MM289389;O=c1nc(O)n(O)o1;UDOBQWMQBUPFJF-UHFFFAOYSA-N;118.05;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289390;MM289390;CNN=C(C=CCO)CF;VNODUNAVNSPYBO-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289391;MM289391;CCC(C=CCO)=NOC;WZEULOYMZMEPBV-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289392;MM289392;C=CC(C=CCO)=NOC;WRDLOLBVAKVOHK-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289393;MM289393;CC#CCON=CN(C)N;ODVQAQMJLLGBKW-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289394;MM289394;CC(C)C(C=CCO)=NN;PVJMTDIMKHTTRT-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289395;MM289395;CC#CCOC=NN(C)C;VSMUSBJHOQUYJJ-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289396;MM289396;CC(F)C(C=CCO)=NN;ZEUHLGKZWUSEFE-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289397;MM289397;CC#CCCC=CC(=O)O;CTCJHXGUOFISIR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289398;MM289398;CC#CCNC=CC(=N)N;NHRDICABZCRBIM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289399;MM289399;C#CC1CN1CC(=O)NC;KZABGSLUYBKLQU-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289400;MM289400;CC#CCOC=CC(C)=O;QDZZQYXRZPETAK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289401;MM289401;CC#CCOC=CC(=N)N;ODTGOOXHXMXHIS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289402;MM289402;NN=CC#CCCNC=O;PZSFPFWTFOWKEG-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289403;MM289403;C=CCNN=CC=CCO;GPXAGPYSRGOSGL-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289404;MM289404;C=C(C)C=NOCC#CC;ONNKJGVPJLTYAH-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289405;MM289405;CC#CCON=CC(=N)N;SIYBIFYTLDDMOF-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289406;MM289406;C=CCON=CC=CCO;KDYFIMAGIVAILM-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289407;MM289407;CCC=CCC=CC(C)C;UBRISTUHLHBNMM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289408;MM289408;CC(N)C=CCC=CCO;BPICEGUGJHMFMI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289409;MM289409;CCC=CCC=CC(C)F;TWELBXOMZSQCHZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289410;MM289410;CCN=CNC=CC(C)N;MSECPTAFVCGFCV-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289411;MM289411;N#CCON=CC=CCO;JAHBWAODCYFHTD-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289412;MM289412;CON=CNC=CC(F)F;HIVFZLSHCXHRJW-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289413;MM289413;CC(F)C=COC=CCN;AEEPRIDAAMTQAG-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289414;MM289414;COC=COC=CC(C)N;RNAFJPYCNNLGOF-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289415;MM289415;COC=COC=CC(C)O;KWRZKWKXZDSQOI-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289416;MM289416;CN=CNN=CC=CCO;CMBIOFKWORHQQU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289417;MM289417;C=CC=NN=CC=CCO;FHYDHJJNSXCXHO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289418;MM289418;OCCC#CC#CC1CN1;KGAFCYSHUQYBHR-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289419;MM289419;C=CC(=NN)C(N)=O;HASCFXLNODGYAJ-UHFFFAOYSA-N;113.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289420;MM289420;CNN=CON=CC(C)N;MRCPAJVPASNCMP-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289421;MM289421;CNc1cc(N)n[nH]1;PYNVVGZLBWIHSP-UHFFFAOYSA-N;112.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289422;MM289422;CC(O)CCN(N)C=O;GTKZEPRYNLXVSH-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289423;MM289423;CC(C#CC(F)F)=NN;LTAWLSIZLFRWFE-UHFFFAOYSA-N;132.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289424;MM289424;CON=CC#CC(F)F;OXLZPUNECXVWPQ-UHFFFAOYSA-N;133.1;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289425;MM289425;CN(O)C=NCC=CCN;RDJGRQCDDCSINO-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289426;MM289426;CCN=CNN=CN(C)C;AQHZILNVGZDSRK-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289427;MM289427;C=C(CNC=O)C(N)=O;OHFFDFCOZXTLMX-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289428;MM289428;C=C(C)N(C=N)C(N)=O;IFUAMGCOIHMOBY-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289429;MM289429;C=CN(C(C)=N)C(N)=O;OASDZAYKQJFMQM-UHFFFAOYSA-N;127.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289430;MM289430;CCC=CN=CNN(C)C;QWBYPEIBTFLZNL-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289431;MM289431;CN(C)N=CNC=CCN;IFCJTHRYFWTPRE-UHFFFAOYSA-N;142.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289432;MM289432;CC(C)C(=CF)C(N)=O;BHGAJUNXZXQXKJ-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289433;MM289433;CN(C)N=COC=CCF;ZJXAVMHOGDQDMZ-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289434;MM289434;CN(C)N=CON=CCN;VKWZGFLZACNNJD-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289435;MM289435;OCC=C1CC2CN2C1;AMTSCQHFJRGXFN-UHFFFAOYSA-N;125.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289436;MM289436;C=CC=CCC=CC(C)C;MWHRGHXATURCEB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289437;MM289437;CC(C)C=CCC=CC=O;OOGRDOLZXZUYPS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289438;MM289438;CC(C)C=CCC=CC#N;BRLSQDPDZBBPIC-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289439;MM289439;C=CC=CCC=CC(C)N;KLAJOPQOXHFZBK-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289440;MM289440;CC(C)C=CN=CNC=N;NGRVDLSYLOXEJO-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289441;MM289441;CC(O)C=CN=CNC=N;AZSQENMONBUUDJ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289442;MM289442;CC(F)C=CN=CNC=N;IOCANUSEUYCDRB-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289443;MM289443;N=CNC=NC=CC(F)F;WNJMUVQYPUROTO-UHFFFAOYSA-N;147.13;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289444;MM289444;CNc1cc(NN)no1;MUDYOEMTPVKHCP-UHFFFAOYSA-N;128.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289445;MM289445;C#CCC(=O)C=CC(N)=O;BVXIXSJNMICLNB-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289446;MM289446;C=CC=COC=CC(C)N;DQEQBMNMAVBTFX-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289447;MM289447;CC(O)C=COC=CC#N;LXOIYMVTAMTYTJ-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289448;MM289448;C=NN=COC=CC(C)N;VRBVVWSFKOORBT-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289449;MM289449;C=NN=COC=CC(C)O;OTSVLUKFQLFSPM-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289450;MM289450;CC(C)C=NN=CNC=O;PUTFLUOXHPSJBY-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289451;MM289451;CC(N)C=NN=CNC=O;UPXRYECQZUIMPV-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289452;MM289452;O=CNC=NN=CC(F)F;ANJUDOOAPPWNDL-UHFFFAOYSA-N;149.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289453;MM289453;C=C(C)N(N)C(=O)C(C)F;UZFLLZNUDSTALV-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289454;MM289454;CC(O)CCNC(=N)C#N;CZQOEXNECLFZFK-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289455;MM289455;C=CC=NNCCC(C)O;SXMQPPFRGIWQGL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289456;MM289456;CN(C)C=NNC=CC#N;ZJDCQPCVCDECHP-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289457;MM289457;CCON=CC#CC(F)F;POSLLMIDIDTDTN-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289458;MM289458;O=CON=CC#CC(F)F;NMCZRYFTEYUNHF-UHFFFAOYSA-N;147.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289459;MM289459;C=NN=CCC=NN(C)C;GZQCXILRLAXCFB-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289460;MM289460;CN(C)N=CON=CC#N;GSYNKEIXYWCLAR-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289461;MM289461;C#CC=COC=CC(C)C;VXHPGCMBXKNSKC-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289462;MM289462;C#CC=COC=CC(C)N;MRCTUERBZZQVTO-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289463;MM289463;C#CC=COC=CC(C)O;YCSNSZMXMGSXCT-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289464;MM289464;C#CC=CCC=NN(C)C;VJBZRFAKZCVAAR-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289465;MM289465;CCC=CCC=CC(C)=O;LXEYQCJEHJZVAR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289466;MM289466;CC(=O)C=CCC=CCO;MTVNJJHHYJCGIZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289467;MM289467;CCC=CCC=CC(=O)O;LNGFTOMTIGWSHK-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289468;MM289468;C=C(C)C=CCC=NNC;NAEVSUANONLQLP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289469;MM289469;CON=CCC=CC(=N)N;AVCFUAGHUXATOM-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289470;MM289470;C=CN(NC)C(=O)C(C)F;FUCKLDZSEQZVOA-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289471;MM289471;CNN=CNC=CC(=N)N;RDQWCMQYKSUQGY-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289472;MM289472;CON=CNC=CC(=N)N;PYUNESHOAPNKAQ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289473;MM289473;CC(C#CC=NN)C(N)=O;YIEQCSHPEATURH-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289474;MM289474;CC(C(=O)O)C(C)(O)C=O;ODVBFUGEDWVSOE-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289475;MM289475;N=C(N)C=CNN=CCN;KQEOAYPHFVWRAN-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289476;MM289476;N=C(N)C=CNN=CCF;DXSKUYRHADHYKC-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289477;MM289477;CC(C=NN)N(N)C(N)=O;FXDQLQKEUDCOCB-UHFFFAOYSA-N;145.17;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289478;MM289478;Cn1c(=O)onc(O)c1=N;BGBULVWJGPBXCW-UHFFFAOYSA-N;143.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289479;MM289479;CCC(C(=O)O)C(O)C=O;UBAIQRGHIXVRJD-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289480;MM289480;COC=NNC=CC(=N)N;NJNMGOSGZNZDRO-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289481;MM289481;C#CC(O)C(=C)CC(=O)O;DYKSGMKNJHNYPD-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289482;MM289482;CC(=O)C=COC=CCO;UIZNXBZVNFNAJV-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289483;MM289483;CC(=O)C=COC=CCF;QTBIYLMDCMEGHD-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289484;MM289484;CCC=COC=CC(=N)N;MZZBHZGFJQZUOU-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289485;MM289485;N=C(N)C=COC=CCN;CXWNGPFPDYMZDC-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289486;MM289486;N=C(N)C=COC=CCO;AHDVOLNJBVVMPW-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289487;MM289487;C=NNC(CCO)CCO;JFMPALAEIBABIR-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289488;MM289488;CC=CN(C=NN)C(N)=O;MNLNFELRAHDOJN-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289489;MM289489;Nc1cc(=O)nc(N)n1N;YOGFCROLTUOEER-UHFFFAOYSA-N;141.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289490;MM289490;C=C(F)C=COC=CCO;UXKUIJLOHUZTIA-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289491;MM289491;C=C(C)C=COC=COC;AXEKTSAOJREKHD-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289492;MM289492;CC(O)C(=O)NOCC#N;PYVXAFMRVWXOGD-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289493;MM289493;C=C(C(=O)O)C(C)(O)CO;DIEFNSOEELRXDB-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289494;MM289494;CON=COC=CC(=N)N;PVCZUHZKJNGBQL-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289495;MM289495;CNC(=O)CNN(C)C=O;OZHCNYSUEVAVNA-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289496;MM289496;CCN=CNN=CC(=N)N;OCRUVRNEZAYSTC-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289497;MM289497;CC(O)CCN(C=N)C=O;CMGXUTQZGNXASD-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289498;MM289498;C=NN(C=N)CCC(C)O;WJAKHLASPQNCGO-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289499;MM289499;CC(C#N)=C(N)C=CCO;WCXNSPNMFVDBIH-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289500;MM289500;CON=CON=CC(N)=O;IUSDNOONDZRTHO-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289501;MM289501;C=C(F)C=NOC=NOC;GIXYTLABMDMWKR-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289502;MM289502;N=C(N)NC=NC=CCF;WXBPVTQTYAIIEJ-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289503;MM289503;C=CC(=C)N(C=N)C(N)=O;JSUCWPGXXNLKBS-UHFFFAOYSA-N;139.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289504;MM289504;CNN(CC=NN)C(N)=O;VDYLEXXMDDZDQR-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289505;MM289505;COC=CN=CNC(=N)N;BVYJMFKRIXVDKR-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289506;MM289506;CNc1nc(=O)n(N)n1C;ZUSPZGACDPAAHX-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289507;MM289507;C=C(C)C=CCC=CC#N;REHFDHAPTIHHPJ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289508;MM289508;N=C(N)C=CCC=CC=O;WZHQTLGYHGTLKV-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289509;MM289509;N#CC=CCC=CC(=N)N;DUPDJJVLIOCUIR-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289510;MM289510;C=CC(C=O)OC=NNC;VYOCPWOCHKWYCJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289511;MM289511;C=CN(N)C(N)=O;AXSPVDMPAQSARM-UHFFFAOYSA-N;101.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289512;MM289512;C=C(C)C=CN=CNC=O;ZZUDAIAYLYZBFU-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289513;MM289513;CC(=COCCO)C(=O)O;JBAVVLPLJIYBMV-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289514;MM289514;N#CC=NNC=CC(=N)N;RABFCYSQCCMCMM-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289515;MM289515;N#CC=NNC=CC(N)=O;WWOIMLWVBMGUGD-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289516;MM289516;C=C(CC(N)=O)C(=O)O;JRXNBYBCTNEZQY-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289517;MM289517;N=C(N)C=COC=CC=O;YAGJIKRKBZGTTE-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289518;MM289518;CN(C=NN)C(N)=O;UJZXCNSCXWQOIY-UHFFFAOYSA-N;116.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289519;MM289519;CC1=NCC(=N)N1N;OGEMEMWVPLVIDQ-UHFFFAOYSA-N;112.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289520;MM289520;Nc1nnc(O)o1;PHPGVCMRZJTTQC-UHFFFAOYSA-N;101.07;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289521;MM289521;C=C(F)C=COC=CC#N;ZTZOHCHBCGAYIM-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289522;MM289522;CON=CCNC=O;YPPLYXHXDTWWAR-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289523;MM289523;C=C(C)C=NN=CNC=O;XJDNHKNAYMIAPV-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289524;MM289524;NC(=O)C=NN=CNC=O;NUAOKNXQNCCPCU-UHFFFAOYSA-N;142.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289525;MM289525;C=CC=CN=CNC(C)=O;HWMVDBVNDFVNHR-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289526;MM289526;C#CC=COC=CC(=N)N;VAKSJADJCFJVLY-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289527;MM289527;CC(=O)CC=CC(N)=O;PNRGFGRTVZRASG-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289528;MM289528;CC(C)C=CCC#CCN;RMRUHMMQDWNFGR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289529;MM289529;CC(N)C=CCC#CCN;CQMJDMGOECVAAL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289530;MM289530;CC(O)C=CCC#CCN;YQJCBSQLTTXTAS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289531;MM289531;CNC(=O)C=CC(N)=O;JOOWUNKQFDHPRH-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289532;MM289532;CN(O)C=NCC#CCN;GNUJSOKWYVYEGG-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289533;MM289533;NC(=O)C=C(C=O)C=O;FYKBZFGEBBEPAY-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289534;MM289534;NC(=O)CNN=CC=O;AAKKWOCHCXLREA-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289535;MM289535;CN(C)N=CCC#CCF;CBICEMWUXYJEKU-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289536;MM289536;C=CC#CCC=CC(C)C;HWQCZOMZGOKOGN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289537;MM289537;CC(C)C=CCC#CC#N;NFUOPYHHUAESEM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289538;MM289538;C=CC#CCC=CC(C)N;GIZPCMXNNZRRKG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289539;MM289539;CC(O)C=CCC#CC#N;UBXFGXHGBPKWGS-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289540;MM289540;CC(F)C=CCC#CC#N;VWMZHEIYECROEI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289541;MM289541;CN(C)C=NCC#CC=O;PLBNDXIRQBGKCP-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289542;MM289542;C=NOC(C)C=CCO;BUNPDMTZNSSMSO-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289543;MM289543;CNC(=O)N(C)N(C)C;APAKEYLKKSNOKM-UHFFFAOYSA-N;131.18;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289544;MM289544;C=CC#CCC=NN(C)C;DPFFMTOXBAWDBI-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289545;MM289545;CN(C)N=CCC#CC=O;LTQHZONASZXHJT-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289546;MM289546;C#CC#CCC=CC(C)C;OTJZXOLLFGVRTK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289547;MM289547;C#CC#CCC=CC(C)N;XXJVUMJRXQDVLY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289548;MM289548;C#CC#CCC=CC(C)O;FMTRWYCFSGWVNP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289549;MM289549;C#CC#CCC=CC(C)F;TYFHZWQHSMSVEF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289550;MM289550;CCCC(=CF)C(N)=O;ZCWFNUXUTGUBOX-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289551;MM289551;C#CC#CCC=NN(C)C;RAXYGGHOVCBOPT-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289552;MM289552;C=C(C)C=CCC#CCC;CDERMENNLMQBCO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289553;MM289553;C=C(C)C=CCC#CCN;MIYKXQKVNSBADU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289554;MM289554;CCC#CCC=CC(C)=O;XSQSGFNBYOXQOW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289555;MM289555;CC(=O)C=CCC#CCO;QPOSRMAMVGYIOP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289556;MM289556;CCC#CCC=CC(=N)N;IMKSWBWAOTVHDA-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289557;MM289557;CCNc1cc(N)[nH]n1;FVOPHWBIFVTERU-UHFFFAOYSA-N;126.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289558;MM289558;C=C(F)C=CCC#CCC;RRKYBQZJMMOKFD-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289559;MM289559;C=C(F)C=CCC#CCN;USVZKDJWUHOYBV-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289560;MM289560;C=CC#CCC=CC(=C)C;MSGAXXOBFFCBBB-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289561;MM289561;C=C(C)C=CCC#CC=O;PCNILIFHCCZYGK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289562;MM289562;C=C(C)C=CCC#CC#N;ZEPSUHLHMGBVKC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289563;MM289563;C=CC#CCC=CC(C)=O;HDDLLAALZPBZIQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289564;MM289564;C=CC#CCC=CC(=N)N;WPEIUESQRPDQLM-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289565;MM289565;CC(=CCO)CN1CC1;KZBMGGOVRLGOEQ-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289566;MM289566;C=CC#CCC=CC(=C)F;LFGVNBZWCKZROT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289567;MM289567;C=C(F)C=CCC#CC#N;AUEADYUCCCDKCV-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289568;MM289568;C#CC#CCC=CC(=C)C;ZVGLEEVJXXAVSP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289569;MM289569;C#CC#CCC=CC(C)=O;SQRPKMSFJOAMLP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289570;MM289570;C#CC#CCC=CC(=O)O;UECVTAGUUBVWHW-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289571;MM289571;C#CC#CCC=CC(=C)F;WXFUYGJBARCXDW-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289572;MM289572;CCCC=CC=CC(C)C;QIDGFVGBHYNTHS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289573;MM289573;CC(N)C=CC=CCCN;AQBJJVQPRCXCNM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289574;MM289574;CC(N)C=CC=CCCO;OPGZYRSNKUFIHT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289575;MM289575;NCCC=CC=CC(F)F;MASOVTHLTDDOSM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289576;MM289576;CNCC=CC=CC(C)C;PIWXEZZJGCVAIC-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289577;MM289577;CNCC=CC=CC(C)N;KXRWHGNCMVGQCJ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289578;MM289578;CCNN=CC=CC(C)C;YVBFOJXBIZZVHJ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289579;MM289579;CCNN=CC=CC(F)F;XJRUNUBCRSTHJU-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289580;MM289580;CNCC=NN=CC(C)N;XDUCJDLDGGWIKC-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289581;MM289581;CCOC=NN=CC(C)N;LYUFOFZJQLXLRE-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289582;MM289582;CCOC=NN=CC(C)O;YVLQFFPXQINPBU-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289583;MM289583;CC=NOCC=CCO;XLWLHXZHDDLWJR-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289584;MM289584;CCNN=CN=CN(C)C;SAEGULMGDANWCA-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289585;MM289585;CC(O)CC(C)(C)C=NN;SKNOETKMCBMVRS-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289586;MM289586;C=NOC(C)(C)C=CCO;VIGPWPSVQMGFNA-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289587;MM289587;CN(O)C=NN=CCCN;CJKRYCSYCUHSAU-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289588;MM289588;CC(CN(N)C(N)=O)=NN;DHCXXKKSNVMHHO-UHFFFAOYSA-N;145.17;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289589;MM289589;CCOC=NN=CN(C)C;ZOCRDNNLWXCCEH-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289590;MM289590;CN(C)N=CC=CCCN;PIVKCQYGHFJDEV-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289591;MM289591;CC(=CCO)CN(N)C=O;HJPUGKANEGGSIZ-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289592;MM289592;CC(C)C=CC=CCC=O;HCUODKIAPLSZRZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289593;MM289593;C=CCC=CC=CC(C)N;MRIRKSUELCQWOO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289594;MM289594;CC(C)C=CC=CNC=O;VIEKFTZDKYGUTO-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289595;MM289595;CC(O)C=CC=CNC=N;GATVIECVYJNXMC-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289596;MM289596;N#CC(=N)NC(N)=NC=N;KCBBCUCAOKVHBW-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289597;MM289597;CC(F)C=CC=NNC=O;RKQHPUXCLQVPJW-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289598;MM289598;CC(N)C=CC=NOC=O;VNHXHROAQCDQPJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289599;MM289599;O=CON=CC=CC(F)F;RYACDACGIVBDKJ-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289600;MM289600;C=CCC=NN=CC(C)C;FSQVQKLCPUBTKP-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289601;MM289601;C=CCC=NN=CC(C)O;GPPXVJALKDSSLW-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289602;MM289602;CC(O)C=NN=CCC#N;JABQTHRSCTXITB-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289603;MM289603;C=CCC=NN=CC(F)F;VWORJIOIVSGCQK-UHFFFAOYSA-N;146.14;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289604;MM289604;C=COC=NN=CC(C)C;UJFWSGQYKFWCSO-UHFFFAOYSA-N;140.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289605;MM289605;C=COC=NN=CC(C)N;REFSPCSCORNASW-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289606;MM289606;C=COC=NN=CC(C)O;LABLAIPDPNCBBV-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289607;MM289607;C=COC=NN=CC(C)F;UFLMGUBCKQUFPP-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289608;MM289608;CC(F)C=NN=COC=O;QTCSLKNYVZPSFA-UHFFFAOYSA-N;146.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289609;MM289609;C=CC(C=NN)CC(C)O;YMHDGIMSXLSMKX-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289610;MM289610;C=NOC=NNCC(N)=O;XGDQCWGGYAKUSZ-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289611;MM289611;CN(C)C=NC=NCC=O;WETHLGQWTXBARJ-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289612;MM289612;CC(C)=NOCC=CCO;JUVIMBXBGQBPGA-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289613;MM289613;CC(=CCO)CNCC#N;NYAJNUOPJPRNHO-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289614;MM289614;CNN=CCN(N)C(N)=O;WNZCMYMZOTWDHM-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289615;MM289615;C#CC=C(CCO)C(N)=O;GSPZKAMUPPTDPP-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289616;MM289616;CNC(=O)N(C)CC=NN;FGJZCLKERKYSGA-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289617;MM289617;C=COC=NN=CN(C)C;OCHMPRSDPWNPRF-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289618;MM289618;CN(C)N=CC=COC=O;GEYKEHAAZNSXEK-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289619;MM289619;C#CCC=CC=CC(C)C;PWGMAYQCIVEJNQ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289620;MM289620;C#CCC=CC=CC(C)N;RTKGVIROUIWHBV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289621;MM289621;CNC(=O)C=CCNC=O;KAHQFNCYFQHKQC-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289622;MM289622;C#CCC=CC=CC(C)F;LMFFEJGESKRDCL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289623;MM289623;C#CCN=CN=CN(C)C;VRQXGNVHGDNMTI-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289624;MM289624;C#CCC=NN=CN(C)N;ZZQGKYHNUMUHRM-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289625;MM289625;CON=C(CNC=O)NN;GICRQPQSIBAANV-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289626;MM289626;C#CCC=CC=NN(C)C;WVVDNMLSCWJUHH-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289627;MM289627;CC(=O)C=CC=CCCF;SOUUFINAXBJTEV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289628;MM289628;C#CC(C=CCO)NN=C;ISETZTBSEKEMJN-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289629;MM289629;CCCC=CC=CC(=O)O;QZGIOJSVUOCUMC-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289630;MM289630;Cc1c(CF)noc1O;FSAZVFJHJQYJNY-UHFFFAOYSA-N;131.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289631;MM289631;O=C(O)C=CC=CCCF;ACQOELIPSOZJIC-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289632;MM289632;C=C(F)C=CC=CCCC;QFKDINFOYKSANC-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289633;MM289633;C=C(F)C=CC=CCCN;REZUEXDHMSEQBY-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289634;MM289634;C=C(C)C=CC=CCNC;BEVHBXHGMUDESX-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289635;MM289635;C=C(F)C=CC=CCNC;XEGBGOAEGZREPH-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289636;MM289636;COCC=CC=CC(=N)N;AHWVXNMXQXEFNJ-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289637;MM289637;N=c1n(C=O)nc(N)n1N;QUEKXCVAONNILV-UHFFFAOYSA-N;142.12;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289638;MM289638;C=CCC(=NO)C(F)C#N;PGPNEBDYPNSQJR-UHFFFAOYSA-N;142.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289639;MM289639;C=C(F)C=CC=NNCC;RFORCLFHFCTELY-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289640;MM289640;CNCC=NN=CC(=N)N;FURUDDYOFRLTQW-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289641;MM289641;COC=NNC=CC(=O)O;DEBQSIRBHDTHNT-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289642;MM289642;C=C(F)C=NN=COCC;GSBDIBPQBHKQFA-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289643;MM289643;C=C(C)C=CC=CCC=O;ZCBVZRUAFQJZKQ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289644;MM289644;C=CCC=CC=CC(C)=O;IKVFDAFWDAAVAG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289645;MM289645;CC(=O)C=CC=CCC=O;GFMJTCGSUWDIFC-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289646;MM289646;CC(=O)C=CC=CCC#N;KAOBYNFCJDSLHV-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289647;MM289647;N#CCC=CC=CC(=N)N;VAMOKNLUOPFISK-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289648;MM289648;N#CCC=CC=CC(=O)O;SSWCGNTULCZNJM-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289649;MM289649;CC(=O)C=CC=CN=CN;XRVHREXXYPXQGX-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289650;MM289650;O=CCN1CC1C=CCO;AKSYQKVLPHKVFI-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289651;MM289651;C=C(F)C=CC=NNC=O;QSQJFZXOTKOKMM-UHFFFAOYSA-N;142.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289652;MM289652;CCC=NOCC=CCO;PJUCLYONKRBWQT-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289653;MM289653;N=C(N)C=CC=NOC=O;IRBKOSDTOZVJIA-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289654;MM289654;C=CCC=NN=CC(=C)C;GHHOQVWUUGCOKO-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289655;MM289655;CC(=O)C=NN=CCC=O;QYLVPRLBWVCGTG-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289656;MM289656;N=C(N)C=NN=CCC=O;SXDNDFLELZPJJA-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289657;MM289657;C=COC=NN=CC(=C)F;DKTMPRNGLXVUJM-UHFFFAOYSA-N;142.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289658;MM289658;OCC=CCON=CCF;GXAWLDBLTBBDQJ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289659;MM289659;C#CCC=CC=CC(C)=O;YXAWBTHUIDBXJM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289660;MM289660;C#CCC=CC=CC(=N)N;CYZLQNKHEFPJMI-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289661;MM289661;C#CC=NOCC=CCO;IWTPDVJZEWELGL-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289662;MM289662;C#CCC=CC=CC(=C)F;HUNCSQPNWNNYCR-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289663;MM289663;CC=CC=CC=CC(C)N;XVJBRNANCFRMOG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289664;MM289664;CC(C)C=NN=CC=NO;AQXCAUDNHCUXDP-UHFFFAOYSA-N;141.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289665;MM289665;CC=NN=CC=CN(C)C;XTJOANDSDJNONX-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289666;MM289666;CN(N)C=NC=CC=NN;TZTXTIHNVALSJI-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289667;MM289667;CN=CN=CN=CN(C)C;MBZAHVGVCMVLRT-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289668;MM289668;CN(C)C=NC=NC=NO;NFJBMJAMKUVJKM-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289669;MM289669;CN(N)C=NC=NC=NO;NXUOLQREOHGCPW-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289670;MM289670;CN1C(C=O)C1C=CCO;TXFVLDYDSSEGIH-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289671;MM289671;CC=CC=NN=CN(C)N;JDNDVQSJPAPSST-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289672;MM289672;CN(N)C=NN=CC=CF;GWZFOBMMVRWPRD-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289673;MM289673;CNc1cc(N)[nH]n1;PYNVVGZLBWIHSP-UHFFFAOYSA-N;112.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289674;MM289674;N=CNc1cc[nH]n1;DMYMLWIJCVFMJP-UHFFFAOYSA-N;110.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289675;MM289675;CN1CC1C=CCO;DKCALHKOUIMJRM-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289676;MM289676;OCC=CCN1CC1;QQCZRAGTTOFXQC-UHFFFAOYSA-N;113.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289677;MM289677;CC=NN=CC=NN(C)C;PWRLIZFJOWZFQN-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289678;MM289678;CC(=O)C=CC=CC=CF;YMCORQCBFPWSFT-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289679;MM289679;N=C(N)C=CC=CC=CF;SMNOCDVQZDKWPM-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289680;MM289680;CC(O)CC(C)C=NN;NZJGELASOOCLFR-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289681;MM289681;CC=CC=CC=CC(=O)O;IAAPVNQZSBLWKH-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289682;MM289682;CC=NN=CC=CC(=N)N;IVKYRURWBOUFNU-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289683;MM289683;N=CN(C=O)CC(N)=O;MBOKLKXYUHYUEV-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289684;MM289684;C=C(F)C=CC=NN=CC;HGMIUQDLKDQQMG-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289685;MM289685;C=C(C)C=NN=CC=CN;JFAKDLUXRWCDNO-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289686;MM289686;N=C(N)C=NN=CC=CN;RHOXZQCLCWOCLO-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289687;MM289687;N=CC=CNN=CC(N)=O;DRLWUETZZSAQDG-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289688;MM289688;C=NN=CC(N)=CC(=O)O;SARCLOZVSGEDPK-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289689;MM289689;C=NOC(=NO)C(F)CO;NJMACTPZEZBPKE-UHFFFAOYSA-N;150.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289690;MM289690;CC#CC=CC=CC(C)C;XNCWRAIOSBKEBJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289691;MM289691;C=CC=NOCC(N)=O;DEESCUQTFJJXIT-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289692;MM289692;CC#CC=CC=CC(C)F;HAXKRUAAQWTUAE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289693;MM289693;CC#CC=NN=CC(C)F;CEKRTXBXCKTKOQ-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289694;MM289694;CC#CC=NN=CC(F)F;QMBDYNLMLZNHOI-UHFFFAOYSA-N;144.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289695;MM289695;CC#CC=NN=CN(C)N;RRXKAOFKAUSHLF-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289696;MM289696;COCCN(N)C(N)=O;DBWZZRQXAXMVBC-UHFFFAOYSA-N;133.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289697;MM289697;CC#CC=CC=NN(C)C;SSMGIENECWXISA-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289698;MM289698;CC#CC=CC=CC(C)=O;PWNHIFZOADXNAG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289699;MM289699;NN(C=O)CC=CCO;UKVOXIMMEDWERQ-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289700;MM289700;C=C(C)C=NN=CC#CC;CFTBFFMFTISYPX-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289701;MM289701;CC#CC=NN=CC(N)=O;RRXGFADIDMZOAE-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289702;MM289702;Cn1[nH]c(=NO)nnc1=O;BJDKANOPWAFTOV-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289703;MM289703;CC(C)C=CC#CCCN;WCPJZKCHALLRDE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289704;MM289704;CC(C)C=CC#CCCO;XNCHQWSBRCWMEN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289705;MM289705;CCCC#CC=CC(C)O;GKGMUMMTUKYTCN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289706;MM289706;CC(O)C=CC#CCCF;LULYSUSNTJFTBW-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289707;MM289707;CCCC#CC=CC(C)F;SJTZRGRQVXAFLB-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289708;MM289708;CCCC#CC=CC(F)F;NUMQDWJPMOCMOR-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289709;MM289709;CNCC#CC=CC(C)F;OXSMIJIUIRATQM-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289710;MM289710;CCCC#CC=NN(C)C;NXLWYLQYCSSBSJ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289711;MM289711;CN(C)N=CC#CCCN;HWZOHOJEILPCEW-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289712;MM289712;C=NN(C)CC=CCO;DLTJTJVEYSKJJJ-UHFFFAOYSA-N;128.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289713;MM289713;COCC#CC=NN(C)C;YWHYGXBVIHKKEJ-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289714;MM289714;C=CCC#CC=CC(C)C;ZDKGWMXZRVEYMN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289715;MM289715;CC(C)C=CC#CCC=O;QVANJOQBESNKHL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289716;MM289716;CC(C)C=CC#CCC#N;WJMRRELWYKVILX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289717;MM289717;C=CCC#CC=CC(C)N;YBRQTRXKHDLLGN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289718;MM289718;C=CCC#CC=CC(C)O;UXOYCLCCXAMBCK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289719;MM289719;CC(O)C=CC#CCC=O;JFJVBOMKYADPDX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289720;MM289720;CC(O)C=CC#CCC#N;WXCHBMZSDHWFFF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289721;MM289721;C=CCC#CC=CC(C)F;LCOZHAVCPBIKOX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289722;MM289722;CC(F)C=CC#CCC#N;FKSVTYNNCOZIDB-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289723;MM289723;C=CCC#CC=CC(F)F;YPZUUKSJNPIYAM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289724;MM289724;N#CCC#CC=CC(F)F;RUJYEZULAGSXNG-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289725;MM289725;C=CCC#CC=NN(C)C;FBVKAMUIZQPNTK-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289726;MM289726;C#CCC#CC=CC(C)C;UGUVKVSKNZXAOR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289727;MM289727;C#CCC#CC=CC(C)N;DTQGTWGFOBOBHG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289728;MM289728;C#CCC#CC=CC(C)O;RALNVCGIUZAWCT-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289729;MM289729;C#CCC#CC=CC(C)F;FGSYZXGAGCQALB-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289730;MM289730;C#CCC#CC=CC(F)F;PNUSEUAPGZSSIS-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289731;MM289731;C#CCC#CC=NN(C)C;BOYDJBNALLRCHC-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289732;MM289732;C=C(C)C=CC#CCCC;QJCAHQCKFSLSBT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289733;MM289733;C=C(C)C=CC#CCCO;SBIOIACUUZDSGM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289734;MM289734;CCCC#CC=CC(C)=O;NNYZRUGAYZZXBC-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289735;MM289735;CC(=O)C=CC#CCCO;BJAYJDJYCUDARZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289736;MM289736;CCCC#CC=CC(=N)N;RPSNLCUKKNWPSY-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289737;MM289737;CCNN(C)C(=O)NC;JOXLIQTXQGNLKE-UHFFFAOYSA-N;131.18;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289738;MM289738;C=C(F)C=CC#CCCC;IQBXTONPZINBBP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289739;MM289739;C=C(C)C=CC#CCNC;GRGXACLNOYZHQU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289740;MM289740;CNCC#CC=CC(N)=O;NBFXNCHACVPOEL-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289741;MM289741;COCC#CC=CC(C)=O;XADRBILTEUKUQB-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289742;MM289742;C=CC(C=NO)=CC(=O)O;DMNWGANDBNXXRQ-UHFFFAOYSA-N;141.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289743;MM289743;C=CCC#CC=CC(=C)C;XMJIFIHGKDATTN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289744;MM289744;C=C(C)C=CC#CCC=O;RIUKHAHQEUGKQA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289745;MM289745;C=C(C)C=CC#CCC#N;HMNXHOFXTOYFQL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289746;MM289746;C=CCC#CC=CC(C)=O;ZOIXRVPBDBADNZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289747;MM289747;CC(=O)C=CC#CCC=O;XCXGGGCXZYNKNJ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289748;MM289748;CC(=O)C=CC#CCC#N;YDNONKYUUMOHFY-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289749;MM289749;C=CCC#CC=CC(=N)N;SBAMYSFMKQHWNC-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289750;MM289750;C=Cc1n[nH]c(N)c1C;ZJUNNYYOCQSFBU-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289751;MM289751;C=CCC#CC=CC(=O)O;YCRZSIBPNROYSX-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289752;MM289752;C#CCC#CC=CC(=C)C;YMPRTENAWJALMZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289753;MM289753;C#CCC#CC=CC(C)=O;WEOIFFYNINNGON-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289754;MM289754;C=CCC(=O)C1CN1C;UEMQAAHCYNCSMK-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289755;MM289755;C#CCC#CC=CC(=O)O;UFONOLDJPVVKKM-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289756;MM289756;C#CCC#CC=CC(=C)F;IPWYBCUFEGJTTE-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289757;MM289757;CC=CC#CC=CC(C)C;BLWHARHHVPTXMP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289758;MM289758;CC=CC#CC=CC(C)N;HXUDWKCEOAARLP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289759;MM289759;CC=CC#CC=CC(C)O;DZKDQSIGAIBWOO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289760;MM289760;CC=CC#CC=CC(C)F;CNDKNDMJCQGVPW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289761;MM289761;CC=CC#CC=CC(F)F;JBXXLAFQHRZMJE-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289762;MM289762;CC(C)C=CC#CC=NN;KKLCCYURONKGID-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289763;MM289763;CC(F)C=CC#CC=NN;QKJGSGDXSUKMKH-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289764;MM289764;CC=CC#CC=NN(C)C;UFJRXIBOEBSEMX-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289765;MM289765;C=C(C)C=CC#CC=CC;PBAPNSCIGUFRBV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289766;MM289766;C=C(C)C=CC#CC=CF;VYZGTQJMIVDUKO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289767;MM289767;CC=CC#CC=CC(C)=O;SRENLQMLUNUCIU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289768;MM289768;CC=CC#CC=CC(=N)N;KPEOTBKXNBYCMB-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289769;MM289769;CCN1CC1C=CCO;HDWFGLZJPDQQAK-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289770;MM289770;N#CC1NC1C=CCO;JFKBKFXHBFMNFZ-UHFFFAOYSA-N;124.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289771;MM289771;CC=CC#CC=CC(=O)O;GWSAYIVCIDLKKS-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289772;MM289772;C=C(F)C=CC#CC=CC;YRRWNTHITVZSSK-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289773;MM289773;C=C(C)C=CC#CC=NN;FWERGTLLDDOBOW-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289774;MM289774;C=C(C)C=CC#CC=NO;XEGYJWDHZJGWRM-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289775;MM289775;CC#CC#CC=CC(C)C;HSMPDTMKASNVPI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289776;MM289776;CC#CC#CC=CC(C)N;BWRYNVDYUCTWMC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289777;MM289777;CC#CC#CC=CC(C)O;STUYFAGLPXBCLH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289778;MM289778;CC#CC#CC=CC(C)F;VTCABERWTVBIFV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289779;MM289779;CC#CC#CC=CC(F)F;DGEFQCAZWXXYFC-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289780;MM289780;CC#CC#CC=NN(C)C;MQUNISXIACMFEX-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289781;MM289781;C=C(C)C=CC#CC#CC;RVUCLLDYOVMUTE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289782;MM289782;CC#CC#CC=CC(C)=O;NONCIQZRRDPOCZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289783;MM289783;CC#CC#CC=CC(=N)N;WJGRRJJONUYKNH-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289784;MM289784;C#CC1NC1C=CCO;ZVTQBTCSOLWQFU-UHFFFAOYSA-N;123.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289785;MM289785;CC#CC#CC=CC(=O)O;QDTJYVWJAXWMRO-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289786;MM289786;C=C(F)C=CC#CC#CC;MOFAWHZKVNKVHS-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289787;MM289787;CC(F)C#CCCCCO;DCWVMLIKQGWPQJ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289788;MM289788;OCCCCC#CC(F)F;OMBVVFTWISUCPQ-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289789;MM289789;CNCCCC#CC(C)C;QNSDDJABQNPWEN-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289790;MM289790;CNCCCC#CC(C)F;JSXJHYXHQNVDHZ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289791;MM289791;CNCCCC#CC(F)F;ZILAFEZFXJQRBZ-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289792;MM289792;CCNCCC#CC(C)F;OHXIPXYVSRBLOU-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289793;MM289793;CCOCCC#CC(C)C;NPCVWZMETCISFL-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289794;MM289794;CCOCCC#CC(C)N;GEMTXJCZMQFEQL-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289795;MM289795;CC(C)C#CCNCCN;BAVLJDVXYGWTDO-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289796;MM289796;CC(C)C#CCNCCO;XXSVCVIQCMLNFO-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289797;MM289797;CC(N)C#CCNCCF;ZJXFQJMRYCDEJP-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289798;MM289798;CCCNCC#CC(C)F;AZIDEXAEYWGDJN-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289799;MM289799;CC(F)C#CCNCCN;JIPGOMKYAAOFNM-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289800;MM289800;CC(F)C#CCNCCO;DHLDEMSDSUCNSD-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289801;MM289801;CCCNCC#CC(F)F;LMAIBOXQMVXYOP-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289802;MM289802;OCCNCC#CC(F)F;XXGMSJPLPIMSKG-UHFFFAOYSA-N;149.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289803;MM289803;CC(C)C#CCOCCN;UXJUTUBXDIVRFF-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289804;MM289804;CC(N)C#CCOCCN;SVYXKXYXQACYGQ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289805;MM289805;CCCOCC#CC(F)F;WWTGIZOQZVBDEN-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289806;MM289806;NCCOCC#CC(F)F;ZWNMAHHXDJGMIX-UHFFFAOYSA-N;149.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289807;MM289807;COCOCC#CC(C)O;INIBVKLRCFDDMR-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289808;MM289808;CC(O)C#CCCCC#N;DNCJVJAXAGDYNX-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289809;MM289809;C=NNCCC#CC(C)C;XDWPNKNDTSVIMP-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289810;MM289810;CC(F)C#CCCOC=O;RFGDWVSGPRDBOQ-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289811;MM289811;CC(C)C#CCNCC#N;UAVZYJIKMBCOEC-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289812;MM289812;C=CC(=O)NC(C)(C)CF;IKQQGULMWYQZJZ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289813;MM289813;CC(F)C#CCNNC=N;GXUPJGOIAURHCB-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289814;MM289814;CC(C)C#CCOCC=O;XYVWRNXCTMBWPW-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289815;MM289815;CC(C)C#CCOCC#N;ABWKIBSSVAQEOX-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289816;MM289816;CC(F)C#CCOCC#N;YHJIEHVXYPTHAZ-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289817;MM289817;C=CCOCC#CC(F)F;YZTHAWPIQPIWHH-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289818;MM289818;N#CCOCC#CC(F)F;ICPAJUKQKRKWOA-UHFFFAOYSA-N;145.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289819;MM289819;CC(N)C#CCONC=N;AZTUZZCXERMBKZ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289820;MM289820;CC(O)C#CCONC=O;LIQGPVMHQOPWJE-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289821;MM289821;N=CNOCC#CC(F)F;JTCLAUJKQQRGML-UHFFFAOYSA-N;148.11;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289822;MM289822;C#CCNCC#CC(C)N;ZGQVHKNZUJJNGK-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289823;MM289823;C#CCOCC#CC(C)C;KASFSJNIOONIHG-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289824;MM289824;C#CCOCC#CC(C)N;CTUQQMUOIUIVHN-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289825;MM289825;C=C(C)C#CCCCCN;DZQWZJONZDSZHC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289826;MM289826;CCCCCC#CC(C)=O;QILUOILLAOSUHU-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289827;MM289827;N=C(N)C#CCCCCO;CPGNFYIHYNUSMG-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289828;MM289828;NC(=O)C#CCCCCO;PQRSCADPONPIMR-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289829;MM289829;C=C(F)C#CCCCCO;GPWWYHNEPBZECH-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289830;MM289830;C=C(C)C#CCCCNC;HBBIFZNIQHBYAK-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289831;MM289831;CNCCCC#CC(N)=O;DMQFBBYKTJZRCH-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289832;MM289832;C=C(F)C#CCCCNC;AHYYDJGTYKQVFH-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289833;MM289833;COCCCC#CC(C)=O;LEZWDFQNLBTFIA-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289834;MM289834;C=C(C)C#CCCNCC;TTXLXKRUCVIAIF-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289835;MM289835;CCNCCC#CC(C)=O;JDZDYLBWSARKBU-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289836;MM289836;CCNCCC#CC(=N)N;KKEXZDOQJWCGDL-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289837;MM289837;CCNCCC#CC(N)=O;MJMHMOZPNJNFGQ-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289838;MM289838;C=C(F)C#CCCNCC;JBAHONBCJWUTCG-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289839;MM289839;C=C(C)C#CCCOCC;RDKQRWXEAVKKQR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289840;MM289840;CCOCCC#CC(C)=O;JLHGTFIPBFVQSE-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289841;MM289841;CCOCCC#CC(=N)N;FHROEVUGYHZBFY-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289842;MM289842;CCOCCC#CC(N)=O;XAYJSMJUNSKYOS-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289843;MM289843;N=c1nc[nH]c(=NO)o1;ZBVWGZGBQCKLAJ-UHFFFAOYSA-N;128.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289844;MM289844;C=C(C)C#CCNCCC;KIIIATHPNVEYDK-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289845;MM289845;CCCNCC#CC(C)=O;IEZHEXPNLRYBOT-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289846;MM289846;NCCNCC#CC(N)=O;HGPDRIXEPFDUQR-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289847;MM289847;C=C(C)C#CCOCCN;BQIHQGXNIFKGLU-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289848;MM289848;CCCOCC#CC(C)=O;HDJBHWHSHDBXHQ-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289849;MM289849;CCCOCC#CC(=N)N;GLRTZOJUTWEJDY-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289850;MM289850;N=C(N)C#CCOCCN;JEYJOUPETKYHPU-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289851;MM289851;N=C(N)C#CCOCCO;LPFCOTLURDUNRM-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289852;MM289852;N=C(N)C#CCOCCF;UEXKXGVGPYIIIP-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289853;MM289853;CCCOCC#CC(N)=O;WSKYNXLWMLEIHB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289854;MM289854;NC(=O)C#CCOCCO;RSCPKMRYYUQTTQ-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289855;MM289855;NC(=O)C#CCOCCF;RHLYTGZCWWRQNS-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289856;MM289856;COCOCC#CC(C)=O;ZBSAYTZZZIQLCT-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289857;MM289857;COCOCC#CC(=N)N;UYGVAEUXENXPAN-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289858;MM289858;COCOCC#CC(N)=O;RZNZWICASRGJEW-UHFFFAOYSA-N;143.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289859;MM289859;C=CCCCC#CC(C)=O;DERUUFYBQCVFBN-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289860;MM289860;N#CCCCC#CC(N)=O;VLFCUZOVFFOSBR-UHFFFAOYSA-N;136.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289861;MM289861;N#CCCCC#CC(=O)O;KBEMQVOGKHZPMT-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289862;MM289862;C=C(C)C#CCCNC=N;PUQOTZJSNJTWAK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289863;MM289863;N=CNCCC#CC(=N)N;SGBSMMSQYIKJQN-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289864;MM289864;N=C(N)C#CCCNC=O;OSCQFDSMRVVWNV-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289865;MM289865;N=CNCCC#CC(N)=O;KEJCHGDDITYPGB-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289866;MM289866;NC(=O)C#CCCNC=O;WASNGELXIQTRJT-UHFFFAOYSA-N;140.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289867;MM289867;C=NNCCC#CC(=C)C;XSPYAFINKWZJOX-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289868;MM289868;CC(C)(C#N)NCC(N)=O;PLMZDPVXNIMLMU-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289869;MM289869;C=NNC(C)(C)C=CCO;PFCRSFORPIFPRX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289870;MM289870;C=C(CN(N)C(N)=O)OC;FRKBFMAQOWKNNU-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289871;MM289871;C=CCNCC#CC(=C)C;YAHRIRAYGWIYQT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289872;MM289872;NC(=O)C=C(C=O)C=CF;IURHKVZDFWKJNV-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289873;MM289873;C=C(C)C(C#N)=CC(N)=O;VBFUKEXJOXAJFH-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289874;MM289874;C=C(C)C#CCNNC=N;JKNKATALAFRWFY-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289875;MM289875;CC#CC=NNCC(N)=O;JADKJCJMUOJBJW-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289876;MM289876;CC(=O)C#CCNNC=O;XPADNWSMFYSTFO-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289877;MM289877;C=C(F)C#CCNNC=N;NNXMDLHIDKTSCM-UHFFFAOYSA-N;141.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289878;MM289878;C=C(F)C#CCNNC=O;JYKBMOIOUKVHTC-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289879;MM289879;C=C(C)C#CCOCC=O;AZCUZOWDKXZXAO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289880;MM289880;C=C(C)C#CCOCC#N;OBGSTQHFIVPJCP-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289881;MM289881;C=CCOCC#CC(=N)N;RYQUBUGOVWGMKZ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289882;MM289882;C=CCOCC#CC(N)=O;PXPKVULTHJOVDJ-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289883;MM289883;N#CCOCC#CC(N)=O;FQKMKDXJQUIYPC-UHFFFAOYSA-N;138.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289884;MM289884;C=CCOCC#CC(=C)F;YEEAHRHZKITIOO-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289885;MM289885;C=C(F)C#CCOCC#N;ORVRPIFQWXFDSC-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289886;MM289886;C=C(C)C#CCONC=O;WCDKEMICIYIXQT-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289887;MM289887;N=C(N)C#CCONC=O;UNVMZIIKWKBHOC-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289888;MM289888;NC(=O)C#CCONC=O;AKADNOFMEWLGFP-UHFFFAOYSA-N;142.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289889;MM289889;CNc1n[nH]c(F)c1O;SOZFVGFJGAXZJU-UHFFFAOYSA-N;131.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289890;MM289890;C#CCCCC#CC(=N)N;XXDWOUMZWDRRHU-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289891;MM289891;C#CCCCC#CC(N)=O;JQTQGHNAGHNXGZ-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289892;MM289892;CC=CCCC#CC(C)C;WQOVJTRWGMSZPI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289893;MM289893;CC=CCCC#CC(C)N;DYUAHMBJXHKPKS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289894;MM289894;CC=CCCC#CC(C)O;OIURBZWQNDJJDB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289895;MM289895;CC(F)C#CCCC=CF;ZWUQTXCSOKFGBX-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289896;MM289896;CC=CCCC#CC(F)F;CNCRCFOTGOCLGD-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289897;MM289897;CC(F)C#CCCC=NN;MCHWBVIXMRXRQZ-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289898;MM289898;CC(N)C#CCN=CNO;BIYMYQXTEZRBFB-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289899;MM289899;ON=CNCC#CC(F)F;BYSIGYAKNSPYRU-UHFFFAOYSA-N;148.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289900;MM289900;CC=NNCC#CC(C)C;ZLAREAAJUBBGSG-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289901;MM289901;CC=COCC#CC(C)O;LTMFQYODNSNNIR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289902;MM289902;CC=COCC#CC(F)F;ZJZVSDDQUIUAEO-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289903;MM289903;NN=CCCN(N)C(N)=O;QLUBKYUZLYVAEV-UHFFFAOYSA-N;145.17;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289904;MM289904;CN(NCC=NN)C(N)=O;IKLGCRZMWQDDTO-UHFFFAOYSA-N;145.17;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289905;MM289905;CC=NOCC#CC(C)N;XQNIQULRZWNFTM-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289906;MM289906;C#CCN(C)N(C)C(N)=O;XIMUOQFZQWGMLT-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289907;MM289907;C=C(C)C#CCCC=CC;VEYGNGURVBKKMY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289908;MM289908;CC(=O)C#CCCC=CF;HZTVANHZBVXOTI-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289909;MM289909;CC=CCCC#CC(=O)O;IHIAOKIEUYISMD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289910;MM289910;C=C(F)C#CCCC=CC;OYLWMFQSLDFPKV-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289911;MM289911;C=C(C)C#CCCC=NN;WMQGGYBSKHRHKJ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289912;MM289912;NC(=O)C#CCCC=NO;NESOHUYVMOTQNZ-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289913;MM289913;C=C(C)C#CCNC=NC;BBVPAXVGQTZQOI-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289914;MM289914;CN=CNCC#CC(=N)N;HCIKNNGSYYWKNL-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289915;MM289915;N=C(N)C#CCN=CNN;JCHGFSWKUHRRSJ-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289916;MM289916;N=C(N)C#CCN=CNO;QMFQCBUVFFAAQH-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289917;MM289917;CN=CNCC#CC(N)=O;TVBNZNSDEDGRQN-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289918;MM289918;CCC(C#N)NCC(N)=O;HPEVTRKTFXMHRK-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289919;MM289919;CC=NNCC#CC(=N)N;LSBOETFFJPYNDH-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289920;MM289920;CC=COCC#CC(C)=O;HORFGRPGWHJJLN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289921;MM289921;CC(=O)C#CCOC=CF;TUKSFUFMFVWCEL-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289922;MM289922;CC=COCC#CC(=N)N;HDSRIPQNEINYOX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289923;MM289923;CC=COCC#CC(N)=O;HTEYLKRBGVFNEF-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289924;MM289924;NC(=O)C#CCOC=CF;KDEHHXALWPNNGK-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289925;MM289925;C=NN1C(C)C1C(=O)O;VMNODZGLWCSPGE-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289926;MM289926;N#CC1(CCC(N)=O)CN1;LVMQAZZCTRALNV-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289927;MM289927;CC=NNC(C)C=CCO;RCXQTIGPGMQVHH-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289928;MM289928;CC#CCCC#CC(C)=O;VODVDNNQWVXYRI-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289929;MM289929;CC(N)C#CCC=CCF;ZWEYKJOMIGNRJU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289930;MM289930;CC(F)C#CCC=CCN;XMRJDWLXSBMISM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289931;MM289931;CNN=CCC#CC(C)C;PEUQWSYFVMWMAU-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289932;MM289932;CC(C)C#CCC=CC#N;NFIPBVSBRJJKMQ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289933;MM289933;C=CC=CCC#CC(C)F;HYMCOWFHWYRJDC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289934;MM289934;CC(F)C#CCC=CC#N;MRKZVXSNZDCPCH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289935;MM289935;O=CC=CCC#CC(F)F;YBCGHIRJOJLAMM-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289936;MM289936;N#CC=CCC#CC(F)F;ISDOXSDFDYTNRN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289937;MM289937;C#CC=CCC#CC(C)N;BJCHRSDHAXQNBB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289938;MM289938;C#CC=CCC#CC(F)F;MMKKKVWXQNNYSJ-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289939;MM289939;C=C(C)C#CCC=CCN;LXBGFVIAEVOSEL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289940;MM289940;C=C(C)C#CCC=CCF;MFXHFBJGMDNPPW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289941;MM289941;CCC=CCC#CC(C)=O;LQQCDWWJYBKYPZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289942;MM289942;C=C(F)C#CCC=CCC;SJQIULATXJALLI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289943;MM289943;C=C(C)C#CCC=NNC;IVYZKONKYSUXIP-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289944;MM289944;CNN=CCC#CC(=N)N;OEQFRYLYFKOXLH-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289945;MM289945;CC(C=CCO)N(N)C=O;MMDMNBZEFAKPSR-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289946;MM289946;COC=NN(C)C(=O)CF;HYIFJMCMXMBJCT-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289947;MM289947;C=C(C)C#CCC=CC=O;BIMYHOKWDZGGCA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289948;MM289948;C=C(C)C#CCC=CC#N;FUWCIUCCKGHCGL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289949;MM289949;CC(=O)C#CCC=CC#N;REFPAGPJVJNTDZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289950;MM289950;N#CC=CCC#CC(=N)N;UBOYFVDUMZLMDZ-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289951;MM289951;N#CC=CCC#CC(N)=O;ZFVLUPWMEDXBFF-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289952;MM289952;C=CC=CCC#CC(=C)F;UEICBSCUVIITJV-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289953;MM289953;C=NN=CCC#CC(=C)C;PBQSAAGKINRXPJ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289954;MM289954;CC(C#N)NCC=CCO;FXBMYVOFLPRDMD-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289955;MM289955;C=NN=CCC#CC(=N)N;SXBFHISXSNNLFL-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289956;MM289956;C=NN=CCC#CC(N)=O;KTUCGLRLACQNGJ-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289957;MM289957;C#CC=CCC#CC(=C)C;DYOZAZSLYCBMSG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289958;MM289958;C#CC=CCC#CC(=N)N;ICMHKFMZNOINNC-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289959;MM289959;C#CC=CCC#CC(N)=O;MVSZUJIHEYDNFB-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289960;MM289960;CCC#CCC#CC(C)C;RMJOVPFRQMLJBX-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289961;MM289961;CC(C)C#CCC#CCN;QBBRPGQKTATFAQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289962;MM289962;CCC#CCC#CC(C)N;VYPDEWUAESWLFF-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289963;MM289963;CCC#CCC#CC(C)O;XWAFLYAQJMIWRO-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289964;MM289964;CCC#CCC#CC(C)F;DUTGGPXEYIBQFW-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289965;MM289965;CC(F)C#CCC#CCN;KQMNYHAECBFNQD-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289966;MM289966;CCC#CCC#CC(F)F;ABMKACQVEPXNLC-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289967;MM289967;NCC#CCC#CC(F)F;GJPXIBURTWTTJD-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289968;MM289968;OCC#CCC#CC(F)F;KXRHIAJNWRYPTB-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289969;MM289969;FCC#CCC#CC(F)F;BPJPIJOISDLZCE-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289970;MM289970;C=CC#CCC#CC(C)C;AXCNJRFFZFEDOT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289971;MM289971;CC(C)C#CCC#CC#N;CHFBIDVUPAOAPQ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289972;MM289972;C=CC#CCC#CC(C)N;DMQRETTUUHZGGA-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289973;MM289973;CC(O)C#CCC#CC=O;TWLWULWYYOPDTN-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289974;MM289974;CC(O)C#CCC#CC#N;BHPBPCLAMUQEKH-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289975;MM289975;C=CC#CCC#CC(C)F;UWGCBCLYOKYIAR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289976;MM289976;CC(F)C#CCC#CC#N;BLZYRWQNZUOIFF-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289977;MM289977;C=CC#CCC#CC(F)F;JVVVFYUVLNBLLE-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289978;MM289978;O=CC#CCC#CC(F)F;RZDZHKHIPUGQEJ-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289979;MM289979;N#CC#CCC#CC(F)F;JSZHSOCADAFIME-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289980;MM289980;C#CC#CCC#CC(C)C;ZQYIENSSLPSIFE-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289981;MM289981;C#CC#CCC#CC(C)N;VJFXAXDFWPDTHF-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289982;MM289982;C#CC#CCC#CC(C)O;FIEWCDCVXXAUFH-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289983;MM289983;C#CC#CCC#CC(C)F;RNPSIKCKEUWEFF-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289984;MM289984;C#CC#CCC#CC(F)F;XJSGVTPJZCXJHO-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289985;MM289985;C=C(C)C#CCC#CCC;PYQOSYPFPJVHGS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289986;MM289986;C=C(C)C#CCC#CCN;XPXLSAQNGBYPFL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289987;MM289987;C=C(C)C#CCC#CCO;WBHFTTJAGCNMDW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289988;MM289988;CCC#CCC#CC(C)=O;NTOODCBYODJHDS-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289989;MM289989;CC(=O)C#CCC#CCF;CGVNPPZYBICVBL-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289990;MM289990;CCC#CCC#CC(=N)N;BWIASOSEZYZEDO-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289991;MM289991;N=C(N)C#CCC#CCN;SFTVMXGZBWLONX-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289992;MM289992;N=C(N)C#CCC#CCO;WXVODXXVRVXJRQ-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289993;MM289993;N=C(N)C#CCC#CCF;SMLOXWMAIQQHAM-UHFFFAOYSA-N;138.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289994;MM289994;CCC#CCC#CC(N)=O;RTSNFYYDRNMVJW-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289995;MM289995;NC(=O)C#CCC#CCO;HPLBUXGGKGASTN-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289996;MM289996;NC(=O)C#CCC#CCF;FPTMOPKLWKANKZ-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289997;MM289997;CCC#CCC#CC(=O)O;ORTYZYNLAOKDTC-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289998;MM289998;C=CC#CCC#CC(=C)C;XZSVJZPJZMZKKZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM289999;MM289999;C=C(C)C#CCC#CC=O;ZZCIGTLIVBUCSG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290000;MM290000;C=C(C)C#CCC#CC#N;IWQZMIZAVWOGLX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290001;MM290001;C=CC#CCC#CC(C)=O;UEQHJUGEPZGKEM-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290002;MM290002;CC(=O)C#CCC#CC#N;CELJQPYCGHQOGJ-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290003;MM290003;C=CC#CCC#CC(=N)N;XWHUXTHNUMPGIB-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290004;MM290004;N#CC#CCC#CC(=N)N;NIWLGDZIDRAIMM-UHFFFAOYSA-N;131.14;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290005;MM290005;C=CC#CCC#CC(N)=O;VCMJPJFAZOFIRW-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290006;MM290006;NC(=O)C#CCC#CC=O;FRTMDSSTTMCLPL-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290007;MM290007;C=CC#CCC#CC(=O)O;BKXOQZICNPVGLZ-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290008;MM290008;C#CC(CC(=O)O)C(C)=O;UQMWAXDCRCFCMG-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290009;MM290009;N#CC#CCC#CC(=O)O;ICGZNPSMDLBDRT-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290010;MM290010;C=CC#CCC#CC(=C)F;BOCUFTJQRCJOEZ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290011;MM290011;C=C(F)C#CCC#CC#N;KJQVWLFAXKVCIE-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290012;MM290012;C#CC#CCC#CC(=C)C;KVZHDMSNJJRVCL-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290013;MM290013;C#CC#CCC#CC(C)=O;GWVOUFOGPHMJCC-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290014;MM290014;C#CC#CCC#CC(=N)N;WBRGJNSBXQCKOT-UHFFFAOYSA-N;130.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290015;MM290015;C#CC#CCC#CC(N)=O;NSVINELLDODDER-UHFFFAOYSA-N;131.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290016;MM290016;C#CC#CCC#CC(=O)O;DBYWNCGEZPGCLL-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290017;MM290017;C#CC#CCC#CC(=C)F;SVKSKZPEULOVLT-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290018;MM290018;CC(C)C#CC=CCCN;ANJGKPOJLIJCRQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290019;MM290019;CC(C)C#CC=CCCO;ZCUUKFWDAVRCTR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290020;MM290020;CCCC=CC#CC(C)O;VWERGWOYPOPIJM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290021;MM290021;CCCC=CC#CC(C)F;ZDGJPWBUNMGVIX-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290022;MM290022;CC(F)C#CC=CCCF;UFXBOHRIOBAHBX-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290023;MM290023;NCCC=CC#CC(F)F;HOGCDNDCMXGIAG-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290024;MM290024;OCCC=CC#CC(F)F;FMSAVVPCMREWON-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290025;MM290025;FCCC=CC#CC(F)F;GOUZFEBEBIMPFI-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290026;MM290026;CNCC=CC#CC(C)C;PYVHUEMVVAEAKO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290027;MM290027;CNCC=CC#CC(C)F;VOICZZPAYJKCKQ-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290028;MM290028;CCOC=CC#CC(C)C;BJMINEGKSKCEIA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290029;MM290029;CCOC=CC#CC(C)O;NIQLEXRHYIJRSC-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290030;MM290030;CCNN=CC#CC(C)C;SDNAVAGEJBJBCM-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290031;MM290031;CCNN=CC#CC(C)N;QHGLJYIRVKBVGQ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290032;MM290032;CCON=CC#CC(C)F;JZOLTTCLZGZCFT-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290033;MM290033;Cc1c(N)c(C)n(O)c1C;ZQDAVNXQTILOQD-UHFFFAOYSA-N;140.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290034;MM290034;C=CCC=CC#CC(C)C;HANRTBSJHIYKCD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290035;MM290035;CC(C)C#CC=CCC=O;HCLJTYLSADOAPJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290036;MM290036;CC(C)C#CC=CCC#N;PHGUGFXSQWYROO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290037;MM290037;C=CCC=CC#CC(C)O;RTHZTZCAWOFCEE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290038;MM290038;CC(O)C#CC=CCC#N;VXIHTJRHNHPMBH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290039;MM290039;C=CCC=CC#CC(F)F;ZAHBWDJMLXVDDV-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290040;MM290040;O=CCC=CC#CC(F)F;FUMGUYHKHPKKNF-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290041;MM290041;N#CCC=CC#CC(F)F;NSRBFBPSRCFIBE-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290042;MM290042;CC(C)C#CC=CNC=N;RZLZMKPBWSLHEX-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290043;MM290043;CC(F)C#CC=CNC=O;NWEZYSMPNCSFON-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290044;MM290044;C=COC=CC#CC(C)C;UTOMNSKVSXSYBS-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290045;MM290045;C=COC=CC#CC(C)O;WWEMMSAUFJLIGH-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290046;MM290046;CC(F)C#CC=NNC=O;MXTBTGUPCAGFFH-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290047;MM290047;O=CNN=CC#CC(F)F;HMQXEEFSAJCART-UHFFFAOYSA-N;146.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290048;MM290048;C=NN(CC)CC=CCO;UNVSVNLXNWVWPB-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290049;MM290049;C#CCC=CC#CC(C)C;MEAPCMDKAQAISI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290050;MM290050;C=C(C)C#CC=CCCN;RZCIIKPYPHFVDP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290051;MM290051;CCCC=CC#CC(C)=O;FYWWEVCNAWLOGD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290052;MM290052;CCCC=CC#CC(=N)N;VRKDLIJOBWAYAL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290053;MM290053;N=C(N)C#CC=CCCO;WSGYBZMCWWIOCT-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290054;MM290054;CCCC=CC#CC(N)=O;BSFALDPDRQICTI-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290055;MM290055;NC(=O)C#CC=CCCF;WGKFSCDQDMSBCA-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290056;MM290056;CCCC=CC#CC(=O)O;ZMLMGVKAUBBIDY-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290057;MM290057;O=C(O)C#CC=CCCF;JBAPJZSIAGOZEP-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290058;MM290058;C=C(F)C#CC=CCCC;FIFCTUQUYOJTQS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290059;MM290059;C=C(F)C#CC=CCCF;PAGJBHYLIOGJEP-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290060;MM290060;C=C(C)C#CC=CCNC;GMCDAZKHJHKKLY-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290061;MM290061;C=C(F)C#CC=CCNC;KGAMYJCQCJTYFU-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290062;MM290062;COCC=CC#CC(C)=O;ZSYSNSGKHNRATG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290063;MM290063;CCOC=CC#CC(C)=O;YAAJDPQPOWMYMW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290064;MM290064;CCOC=CC#CC(=N)N;DZSKDDVFUWWTNX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290065;MM290065;CCOC=CC#CC(N)=O;HQRDWTSRTJYSIW-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290066;MM290066;CCNN=CC#CC(=N)N;IEAHZXPFTGDNHS-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290067;MM290067;CNN(C=O)CC=CCO;DVTKDZMVILYIIK-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290068;MM290068;C=C(C)C#CC=CCC=O;GLTOXVKBIJIVIE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290069;MM290069;C=CCC=CC#CC(=N)N;SOQQSRUPDHRQBE-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290070;MM290070;N#CCC=CC#CC(N)=O;FIZHTSLJSSFYIG-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290071;MM290071;C=CCC=CC#CC(=O)O;JGROERYFMNQMBS-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290072;MM290072;C=COC(=CC(=O)O)CF;FLPBTPJIYGIGPZ-UHFFFAOYSA-N;146.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290073;MM290073;N#CCC=CC#CC(=O)O;JVTWXOHKIWBIAK-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290074;MM290074;C=C(F)C#CC=CCC=O;PKARFJVWWNZQSY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290075;MM290075;CC(=O)C#CC=CNC=O;LDUDDRRWEMAKSB-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290076;MM290076;N=CNC=CC#CC(=N)N;VJKOYUGTYCYKMD-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290077;MM290077;N=C(N)C#CC=CNC=O;ZQEBITOKCAKXHS-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290078;MM290078;N=CNC=CC#CC(N)=O;WQWMNOOJKWTYFF-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290079;MM290079;NC(=O)C#CC=CNC=O;RBHZEGJWVHHCRJ-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290080;MM290080;C=C(F)C#CC=CNC=O;DAGJBHQNGFOQKR-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290081;MM290081;C=COC=CC#CC(C)=O;AGDOQTXRSHFNQU-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290082;MM290082;C=COC=CC#CC(=N)N;BJTKJGPTABZFIJ-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290083;MM290083;C=C(F)C#CC=NNC=O;ZRBWHZNMEDCCRP-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290084;MM290084;N=C(N)C#CC=NOC=O;NJLJLSLGCXRROA-UHFFFAOYSA-N;139.11;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290085;MM290085;C#CCC=CC#CC(=N)N;RJFCUUNEKFUGOC-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290086;MM290086;C#CCC=CC#CC(N)=O;JMGACAGCTOIDAL-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290087;MM290087;C#CCC=CC#CC(=O)O;IIFWHUIVXDVRRG-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290088;MM290088;C#CCC=CC#CC(=C)F;YPEJCFCCAGRYKX-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290089;MM290089;CC=CC=CC#CC(C)N;ABLDECPPIAWHQV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290090;MM290090;CC=CC=CC#CC(C)O;DDAAZHSPFKQRMG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290091;MM290091;CC=CC=CC#CC(C)F;YNRQOJXPHYFRLI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290092;MM290092;CC=CC=CC#CC(F)F;ACMAXTMXZAXXBS-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290093;MM290093;CC(C)C#CC=CC=NN;SDUBTEMZYVMUDE-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290094;MM290094;CC(C)C#CC=CC=NO;WPUUHLDBJWTCSU-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290095;MM290095;CC=NN=CC#CC(C)N;LLAMAYJMPLQGNN-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290096;MM290096;CC=NN=CC#CC(C)O;QJRIVUUYWWWKFW-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290097;MM290097;CC=NN=CC#CC(F)F;JEFOXTPFUHCLOP-UHFFFAOYSA-N;144.12;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290098;MM290098;C=C(C)C#CC=CC=CC;BJHJCRIYTDSJNL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290099;MM290099;C=C(F)C#CC=CC=CC;AXRJRDJDWZWAQG-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290100;MM290100;NC(=O)C#CC=CC=NO;IJHYBOWXJNYLFK-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290101;MM290101;N#CC(=NO)OC=C(F)F;HVFCSFTXHURGIB-UHFFFAOYSA-N;148.07;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290102;MM290102;CC=NN=CC#CC(C)=O;IBWXWBDBIKCYBR-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290103;MM290103;CC=NN=CC#CC(=N)N;WLPSMVMEIAHBFG-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290104;MM290104;CC=NN=CC#CC(N)=O;DHORRQRWRADJDX-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290105;MM290105;CC#CC=CC#CC(C)=O;DTEIZKTUSGFLPD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290106;MM290106;CCCC#CC#CC(C)C;PUMCJIKTGDNSBE-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290107;MM290107;CC(C)C#CC#CCCN;HBPJFLHZQJSMRU-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290108;MM290108;CC(C)C#CC#CCCO;GJCGGOHZSJODMR-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290109;MM290109;CC(C)C#CC#CCCF;SGKIPPWHDVYLBM-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290110;MM290110;CCCC#CC#CC(C)N;SXMWWIQPONGNGP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290111;MM290111;CCCC#CC#CC(C)O;HFSRNETVTKARMM-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290112;MM290112;CCCC#CC#CC(C)F;OZPYXRNXWMJALX-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290113;MM290113;CC(F)C#CC#CCCN;KVRGGWLGQYNWQK-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290114;MM290114;CC(F)C#CC#CCCO;FHPOCGCNUDLEQA-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290115;MM290115;CC(F)C#CC#CCCF;JPHOHDYVEMXDJR-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290116;MM290116;CCCC#CC#CC(F)F;KFUPIHOWLOSJHV-UHFFFAOYSA-N;142.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290117;MM290117;NCCC#CC#CC(F)F;IQEYTJONKSSFOH-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290118;MM290118;OCCC#CC#CC(F)F;KYXFBDQHDZBAHX-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290119;MM290119;FCCC#CC#CC(F)F;CIYYKRQOYGSXAJ-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290120;MM290120;CNCC#CC#CC(C)C;PCGQUXWSPHJPFP-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290121;MM290121;CNCC#CC#CC(C)F;WADMPENUBIAAND-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290122;MM290122;CNCC#CC#CC(F)F;DDQSPTGQMLKEEX-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290123;MM290123;COCC#CC#CC(C)C;XTSYMMVNLZIIAN-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290124;MM290124;COCC#CC#CC(C)F;HCTQKJXVARDBHF-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290125;MM290125;COCC#CC#CC(F)F;VSYPNHZTPDBARB-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290126;MM290126;C=CCC#CC#CC(C)C;SKDFTSJTVNGGFI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290127;MM290127;CC(C)C#CC#CCC=O;GTWJMUVDFVYWJB-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290128;MM290128;CC(C)C#CC#CCC#N;INCCBOOSMIPDKY-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290129;MM290129;C=CCC#CC#CC(C)N;UIVVVGXWZBNAFT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290130;MM290130;C=CCC#CC#CC(C)O;QDVJULXIUXDTII-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290131;MM290131;CC(O)C#CC#CCC#N;CPRFRCAMAUHMSJ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290132;MM290132;C=CCC#CC#CC(C)F;OHDFSFUJBFJZLP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290133;MM290133;CC(F)C#CC#CCC=O;AFGQUCZXBWYEJQ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290134;MM290134;CC(F)C#CC#CCC#N;CCAJMNUZKRQDST-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290135;MM290135;C=CCC#CC#CC(F)F;HGMOJDOGKSIGIS-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290136;MM290136;O=CCC#CC#CC(F)F;LOCUQWUERLRIRI-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290137;MM290137;N#CCC#CC#CC(F)F;CEDLAONKVMXTCE-UHFFFAOYSA-N;139.1;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290138;MM290138;C#CCC#CC#CC(C)C;DCXLSNZTEFSTJJ-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290139;MM290139;C#CCC#CC#CC(C)N;XZVUDVKCCOVHLG-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290140;MM290140;C#CCC#CC#CC(C)O;NPAFXEYNIZMBAI-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290141;MM290141;C#CCC#CC#CC(C)F;ZOIAEOKFVQQSFM-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290142;MM290142;C#CCC#CC#CC(F)F;RDOGADHXHJYVKL-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290143;MM290143;C=C(C)C#CC#CCCC;JKWFNUXXUFCFSQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290144;MM290144;C=C(C)C#CC#CCCN;ZPKPRWAIPBLKJH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290145;MM290145;C=C(C)C#CC#CCCO;WWICVNMKILIULB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290146;MM290146;C=C(C)C#CC#CCCF;GYJFFSIRJMWCBN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290147;MM290147;CCCC#CC#CC(C)=O;QWONPZQEZBKNSN-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290148;MM290148;CC(=O)C#CC#CCCO;QRUOGMQUPDOUNH-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290149;MM290149;CC(=O)C#CC#CCCF;OYMSJLACUHEBHJ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290150;MM290150;CCCC#CC#CC(=N)N;AXFZDIMWOAYFDH-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290151;MM290151;N=C(N)C#CC#CCCN;LHJMCZZHYGUJNI-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290152;MM290152;N=C(N)C#CC#CCCO;HSBGOEICKCHGQE-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290153;MM290153;CCCC#CC#CC(N)=O;NOLVHUDYFSBRFF-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290154;MM290154;NC(=O)C#CC#CCCO;FMZPSJGPEDFOGL-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290155;MM290155;CCCC#CC#CC(=O)O;XHSPALGTVLZQLW-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290156;MM290156;C=C(F)C#CC#CCCC;ODZPOGMUDRPDRY-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290157;MM290157;C=C(F)C#CC#CCCN;UQNSOXYWOTVREO-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290158;MM290158;C=C(F)C#CC#CCCO;GABBYYLATYHQDJ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290159;MM290159;C=C(F)C#CC#CCCF;DGQGCZUXWWQQOD-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290160;MM290160;C=C(C)C#CC#CCNC;ZYHGLFFJQKWZHW-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290161;MM290161;CNCC#CC#CC(C)=O;YJSBSUQPHSHBRN-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290162;MM290162;CNCC#CC#CC(=N)N;UHVQAPUIGNYZAT-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290163;MM290163;CNCC#CC#CC(N)=O;VNZYWLPMACBRFH-UHFFFAOYSA-N;136.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290164;MM290164;C=C(F)C#CC#CCNC;BWVOVRWNLVLEFY-UHFFFAOYSA-N;137.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290165;MM290165;C=C(C)C#CC#CCOC;SIWGSFVYLWPQLQ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290166;MM290166;COCC#CC#CC(C)=O;WDGHRMWBEPESNH-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290167;MM290167;COCC#CC#CC(N)=O;WBMPTOQPVJKGGO-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290168;MM290168;C=CC(CO)(CO)C(=O)O;NWOFEXHUPVZHHX-UHFFFAOYSA-N;146.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290169;MM290169;C=CCC#CC#CC(=C)C;NDELAFGHTQWBRA-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290170;MM290170;C=C(C)C#CC#CCC=O;SREASPJVDMANHO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290171;MM290171;C=C(C)C#CC#CCC#N;RNZBYXYENLBJFY-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290172;MM290172;C=CCC#CC#CC(C)=O;WTXNPEZZEQARKW-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290173;MM290173;CC(=O)C#CC#CCC=O;QVYMYVMDVCAZQA-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290174;MM290174;CC(=O)C#CC#CCC#N;NLSYUPOCMMYAPP-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290175;MM290175;C=CCC#CC#CC(=N)N;MFGFOTULYGCSNT-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290176;MM290176;C=CCC#CC#CC(N)=O;BUZYOQYPWUIWIP-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290177;MM290177;NC(=O)C#CC#CCC=O;HTFLQIOLULCAIW-UHFFFAOYSA-N;135.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290178;MM290178;C=CCC#CC#CC(=O)O;XARUIMCWGRTKCM-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290179;MM290179;COc1onc(O)c1O;HAUJXBPVWYYUQZ-UHFFFAOYSA-N;131.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290180;MM290180;N#CCC#CC#CC(=O)O;CFFAKQHKNOYBDU-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290181;MM290181;C=CCC#CC#CC(=C)F;TYDAVRMSEVEGJV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290182;MM290182;C=C(F)C#CC#CCC=O;RCQLVPSVZRIUPM-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290183;MM290183;C=C(F)C#CC#CCC#N;AIWYHBUKDXSHDV-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290184;MM290184;C#CCC#CC#CC(=C)C;MABQTDWMFUHTEF-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290185;MM290185;C#CCC#CC#CC(C)=O;VAYOUMYZKKCHHK-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290186;MM290186;C#CCC#CC#CC(=N)N;LNYJDSCWRKAYGJ-UHFFFAOYSA-N;130.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290187;MM290187;C#CCC#CC#CC(N)=O;VCQVHBQBDPXKPY-UHFFFAOYSA-N;131.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290188;MM290188;C#CCC#CC#CC(=O)O;JAIWKGANGSEHMI-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290189;MM290189;C#CCC#CC#CC(=C)F;FQBQYZZEUBVACU-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290190;MM290190;CC=CC#CC#CC(C)C;HNHLBFZBFKYZML-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290191;MM290191;CC(C)C#CC#CC=CF;URXANGFSBLUBOG-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290192;MM290192;CC=CC#CC#CC(C)N;ZOPWTJQKYVYAFA-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290193;MM290193;CC(N)C#CC#CC=CF;XYILREWYQHKLKW-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290194;MM290194;CC=CC#CC#CC(C)O;JOZSAOZIJQGNTJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290195;MM290195;CC=CC#CC#CC(C)F;ZDDKSICYVVBKBA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290196;MM290196;CC(F)C#CC#CC=CF;OODITEIOOHSESX-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290197;MM290197;CC=CC#CC#CC(F)F;CLUDNEZHMQWSBL-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290198;MM290198;FC=CC#CC#CC(F)F;ABDWWSOFZXYING-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290199;MM290199;CC(C)C#CC#CC=NN;KZGUTFCAFITAHM-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290200;MM290200;CC(C)C#CC#CC=NO;RJNFPXMHDUNLQK-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290201;MM290201;CC(F)C#CC#CC=NN;JYEXTBPCZHGLJM-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290202;MM290202;CC(F)C#CC#CC=NO;GLXPHNBJFLDXSR-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290203;MM290203;CCc1cc(NC=N)n[nH]1;VBZBHBKAIZRFTB-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290204;MM290204;C=C(C)C#CC#CC=CC;SVBCDZUATFIMCR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290205;MM290205;C=C(C)C#CC#CC=CF;XPYJYELJQRMNRK-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290206;MM290206;CC=CC#CC#CC(C)=O;NCMVJYNMVBCVQG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290207;MM290207;CC(=O)C#CC#CC=CF;IZMVAWLDVPUQCH-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290208;MM290208;CC=CC#CC#CC(=N)N;ZUTFWDIIHSSHGR-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290209;MM290209;CC=CC#CC#CC(N)=O;KEFOHTQURAOQPL-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290210;MM290210;NC(=O)C#CC#CC=CF;NUDVRXACQFVYSC-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290211;MM290211;CC=CC#CC#CC(=O)O;PLQITNSZGATMPR-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290212;MM290212;O=C(O)C#CC#CC=CF;GLPMUGRTIFKILS-UHFFFAOYSA-N;138.1;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290213;MM290213;C=C(F)C#CC#CC=CC;XLPXCOOOJHWMOG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290214;MM290214;C=C(C)C#CC#CC=NN;SSYRXZAFZXHIPC-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290215;MM290215;C=C(C)C#CC#CC=NO;ZQSDMKWOWGLWJU-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290216;MM290216;CC=CC1NC1C=CCO;PXGYWDNPNWOJKP-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290217;MM290217;NC(=O)C#CC#CC=NO;WXIUZVCIEWNCMB-UHFFFAOYSA-N;136.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290218;MM290218;C=C(F)C#CC#CC=NN;CJHKFBLISMYAAR-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290219;MM290219;CC#CC#CC#CC(C)C;GIVHJZCOXJUSJA-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290220;MM290220;CC#CC#CC#CC(C)N;WIYWQPYZDFDQJU-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290221;MM290221;CC#CC#CC#CC(C)O;LZODXINXRAWQOI-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290222;MM290222;CC#CC#CC#CC(C)F;NRMOVIKDZUWZFQ-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290223;MM290223;CC#CC#CC#CC(F)F;XGFRQEOHYPHPPZ-UHFFFAOYSA-N;138.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290224;MM290224;C=C(C)C#CC#CC#CC;ZMLDQEKRWMTBNB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290225;MM290225;CC#CC#CC#CC(C)=O;HDTHTYJDOBUIMZ-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290226;MM290226;CC#CC#CC#CC(=N)N;SDMRZJOPATXABP-UHFFFAOYSA-N;130.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290227;MM290227;CC#CC#CC#CC(N)=O;ABTZPASONCZEFF-UHFFFAOYSA-N;131.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290228;MM290228;CC#CC#CC#CC(=O)O;GYUOOLGIYHUJRP-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290229;MM290229;C=C(F)C#CC#CC#CC;DOZBGSVDBJTAPW-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290230;MM290230;CNCCCCC=C(C)F;VPWFUISRSGRADX-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290231;MM290231;CCOCCCC=C(C)C;HAFNJCQPQKQDCE-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290232;MM290232;CC(C)=CCCNCCN;JLKASCZRTIYJDB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290233;MM290233;CC(C)=CCCNCCF;KLWZWEYMHAYPLV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290234;MM290234;CC(F)=CCCNCCF;SNOIOGRNJIBUIC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290235;MM290235;NCCNCCC=C(F)F;WFNUSETVDOGATF-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290236;MM290236;FCCNCCC=C(F)F;NQRSGCFOVZFJQL-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290237;MM290237;COCOCCC=C(C)F;LEGQFIRJPYEHQM-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290238;MM290238;CC(C)=CCNCCCN;JVCQHRDZJZGMJY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290239;MM290239;CC(C)=CCNCCCF;IIPCUYUKTXTDST-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290240;MM290240;CC(F)=CCNCCCF;KZUHBILUEGVURQ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290241;MM290241;CCCCNCC=C(F)F;ANGKOFBOWYHPQM-UHFFFAOYSA-N;149.18;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290242;MM290242;NCCCNCC=C(F)F;ULRPPBQMDLGANF-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290243;MM290243;FCCCNCC=C(F)F;CIBUIPSQRYAIOF-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290244;MM290244;CNCCNCC=C(F)F;BXQCDRJREFIWSZ-UHFFFAOYSA-N;150.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290245;MM290245;CC(F)=CCOCCCO;XMSIFWURMBLSKY-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290246;MM290246;COCCOCC=C(C)F;RDZRTENNLFZVJI-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290247;MM290247;CCOCOCC=C(C)F;BVAIWTZYTHVTCL-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290248;MM290248;CCNCCOC=C(C)F;LJAJIZUDVKMRDC-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290249;MM290249;CCOCCOC=C(C)C;ZBGKHOIETVKFLW-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290250;MM290250;CCOCCOC=C(C)F;KRPKYZHGAMXFGB-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290251;MM290251;CCOCCOC=C(F)F;JLCYRFNTCJFPFJ-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290252;MM290252;CC(C)=COCOCCN;ZIBASEBEBGIVJD-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290253;MM290253;CC(C)=COCOCCO;HYUJZFZODHSPNP-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290254;MM290254;NCCOCOC=C(F)F;OCNFUVFAXJGLFC-UHFFFAOYSA-N;153.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290255;MM290255;OCCOCOC=C(F)F;XYPGMDHLUFKYHI-UHFFFAOYSA-N;154.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290256;MM290256;COCOCOC=C(F)F;MKCFUHGNYQEWOH-UHFFFAOYSA-N;154.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290257;MM290257;CCCCCNN=C(C)C;VVFZTBIECUKLNJ-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290258;MM290258;CC=NN1CC1C=CCO;QYJCAACIPUUZMC-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290259;MM290259;CC(C)=NNCCCCF;WVIIIKOVIVGIGH-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290260;MM290260;CCNCCNN=C(C)C;UPNKHPZDNCHGPY-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290261;MM290261;CC(C)=NOCCCCN;OCGVDDHKCJECIJ-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290262;MM290262;CCNCCON=C(C)C;ICOBPVYYFDKQFX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290263;MM290263;CCOCCON=C(C)C;CCMNYAKUJIYJOG-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290264;MM290264;C=NNC=NCC=CCO;GIWHSRFHXVPHFL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290265;MM290265;C=CCCCCC=C(C)C;VMEDJHVTTJXKCN-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290266;MM290266;CC(C)=CCCCCC=O;GHEWOVQEZDDGPR-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290267;MM290267;CC(C)=CCCCCC#N;NTQCADUFUWOVJN-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290268;MM290268;N=CNCCCC=C(F)F;VRHVCGPVDNWCLI-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290269;MM290269;C=CCNCCC=C(C)C;GRLYIHPHJCDWLS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290270;MM290270;CC(C)=CCCNCC=O;GEJRVKVQOKCCDR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290271;MM290271;CC(F)=CCCNCC#N;RMWMYCMOCAOPEJ-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290272;MM290272;CC(F)=CCCNNC=N;GSYSLPCNKHFYFH-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290273;MM290273;CC(F)=CCCOCC=O;KXHMOPNUDWQNNF-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290274;MM290274;CC(F)=CCCOCC#N;ALDPIMKVSUAXJU-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290275;MM290275;CC(C)=CCCONC=N;IOFOIRIDSNSXPC-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290276;MM290276;CC(C)=CCCONC=O;WCRHSNVJKKSRFU-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290277;MM290277;C=CCCNCC=C(C)C;KQUFWBVHRZPFAG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290278;MM290278;CC(C)=CCNCCC=O;KQCKYBHARQIESX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290279;MM290279;C=CCCNCC=C(F)F;VVBLFSFDIFWGNK-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290280;MM290280;C=COCOCC=C(C)F;JPADFXHQWVVXTJ-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290281;MM290281;CC(F)=CCOCOC=O;ZSNZNGBSGPIING-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290282;MM290282;C=NOCOCC=C(C)F;DZFVYEYYFVXSMY-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290283;MM290283;CC(C)=COCCCC=O;DKRBINHOSYASGD-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290284;MM290284;C=CC1C(C=CCO)N1C;OFDWUMWBEJCSIV-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290285;MM290285;C=COCCOC=C(C)C;HRNPDQKEGQKSPK-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290286;MM290286;CC(C)=COCCOC=O;BXEYAUPJWNOSOQ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290287;MM290287;C=COCCOC=C(C)F;SGNCEWJSGBMFDX-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290288;MM290288;C=NOCCOC=C(C)C;IFUWBVAFJBVCJV-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290289;MM290289;CC(C)=COCOCC#N;NIPVFWSWFOWBRO-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290290;MM290290;CC(F)=COCOCC=O;BRXNQJKDLRNCGD-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290291;MM290291;CC(F)=COCOCC#N;CCIRIIOGOQTQHZ-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290292;MM290292;N#CCOCOC=C(F)F;GTKYXSOLJBFCSH-UHFFFAOYSA-N;149.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290293;MM290293;CC(C)=COCONC=N;QLNSBPUXYYUVHD-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290294;MM290294;CC(C)=COCONC=O;UDYZYGNPZVNEST-UHFFFAOYSA-N;145.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290295;MM290295;CC(F)=COCONC=N;YXUMKPWCUUUUHH-UHFFFAOYSA-N;148.14;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290296;MM290296;O=CNOCOC=C(F)F;YBLQVTHTZMYZRT-UHFFFAOYSA-N;153.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290297;MM290297;C=NNCCNN=C(C)C;BBGPBIWWIZPSPQ-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290298;MM290298;CC(C)=NOCCNC=N;BOKPWCGVZGRLAS-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290299;MM290299;C#CC1C(C=CCO)N1C;OLQFRTXSKMLJGJ-UHFFFAOYSA-N;137.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290300;MM290300;C=COCCON=C(C)C;JTJLNRSXPRPADH-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290301;MM290301;CC(C)=NOCCOC=O;IPHOMNPJGHGREP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290302;MM290302;C=NOCCON=C(C)C;DZHAPBUXCHUONC-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290303;MM290303;CC(C)=NOCONC=O;YJLWHHSYBSVXLY-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290304;MM290304;C#CCCCCC=C(C)C;DMPWLHAFMYTSNZ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290305;MM290305;C#CCNCCC=C(C)C;JQRASYQMWRTFNZ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290306;MM290306;C#CCCNCC=C(C)C;APUQTMVDAPZAAE-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290307;MM290307;C#CCCNCC=C(C)F;HOOJDCOUSASHQW-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290308;MM290308;C#CCCOCC=C(C)F;LJHKAINBZXFAHK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290309;MM290309;C#CCOCOC=C(C)F;XYOZZNADBDTIJQ-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290310;MM290310;C#CCOCON=C(C)C;NYNQVZSIXINION-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290311;MM290311;CC=CCCCC=C(C)C;PBQSTXCCVHCVHS-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290312;MM290312;CN=CNNCC=C(C)F;YBFCWRBZIUFTDL-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290313;MM290313;CN=CNNCC=C(F)F;OAMKJTDVOIBKBP-UHFFFAOYSA-N;149.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290314;MM290314;CC(F)=CCOCC=NN;XYXMGDWUECDYPT-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290315;MM290315;CC(C)=CCON=CNN;WFOAKFYZOACVTO-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290316;MM290316;CCC1CN1CC=CCO;YRBDBMQYUAYIMA-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290317;MM290317;CN=CNOCC=C(F)F;KCBMTBKYAIBKAL-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290318;MM290318;C#CC1NC1C(N)=O;SJZPNBCAGROTPU-UHFFFAOYSA-N;110.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290319;MM290319;ON=CNOCC=C(F)F;WQBRPTHKRHTLJM-UHFFFAOYSA-N;152.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290320;MM290320;CC=COCOC=C(C)C;JIXWESGWOXSVIO-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290321;MM290321;CC(CCC(C)O)=NN;HQABWKOFZWBVNI-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290322;MM290322;CC=NOCOC=C(C)F;XOSWDHQUFANFMD-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290323;MM290323;CC=NOCOC=C(F)F;KZZCAMCXMZXEIW-UHFFFAOYSA-N;151.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290324;MM290324;CC=CCCNN=C(C)C;NTHBRLBNKJIWRM-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290325;MM290325;CC(C)=NOCCC=NO;OGYUIGDYQVXESI-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290326;MM290326;CC(C)=NOCOC=CF;JNOXGWZNVVDMJU-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290327;MM290327;CC#CCCON=C(C)C;FFAVNUBZVFUCFS-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290328;MM290328;CC(F)=CCCC=CCO;MZIQQTGGBMBLLP-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290329;MM290329;CCC=CCCC=C(F)F;ZJNLFFMOVQESLA-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290330;MM290330;CON=CNCC=C(C)F;HOGMWKWYJMKNRC-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290331;MM290331;C=NN=CCCC(C)O;GPYCVHCFBVMRMS-UHFFFAOYSA-N;128.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290332;MM290332;CC(C)=CCOC=CCN;CDHPCBDHSFRPNM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290333;MM290333;CC(F)=CCOC=CCN;GWCYYIWXTJXACJ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290334;MM290334;CC(F)=CCOC=CCO;WKKRSQQMOQHEEA-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290335;MM290335;COC=COCC=C(C)C;VEANKZHMIYPWBF-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290336;MM290336;C=CN(N)C(=O)C(C)F;JDDXWDVXPJAPNK-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290337;MM290337;NC(=O)C(N)=C(N)C=O;AOGUUVKJOLTQCS-UHFFFAOYSA-N;129.12;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290338;MM290338;CON=COCC=C(C)C;LMCQUKBRTQYSGM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290339;MM290339;CON=COCC=C(C)F;ZXMIOPWTIVFXQU-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290340;MM290340;CCC=NOCC=C(C)C;FRECDMMMXPBCSX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290341;MM290341;CCC=NOCC=C(C)F;YAIWWVSAWURKBV-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290342;MM290342;CNC1=NC(=O)C(=N)N1;NXVFFZWNEDZQQX-UHFFFAOYSA-N;126.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290343;MM290343;CC(=NN1CC1)C(N)=O;KZGFWXZQSCEEPY-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290344;MM290344;COC=NOCC=C(C)C;VMWZZIIJLORYFL-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290345;MM290345;COC=NOCC=C(C)F;SGOSSCXKGRLZCX-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290346;MM290346;CC(F)=COCC=CCN;UDUZVSVVLKMXPN-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290347;MM290347;CC(F)=COCC=CCO;KRHHJFMYKUPAFO-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290348;MM290348;CC(F)=COCC=CCF;VNIZGHHHARFHGR-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290349;MM290349;CNN=CCOC=C(C)C;RMJRPMCFOHNETH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290350;MM290350;CNN=CCOC=C(C)F;YHDRZXDNWKDODX-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290351;MM290351;CNN=CCOC=C(F)F;NINARBOBJJODBF-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290352;MM290352;CON=CCOC=C(C)C;BWFCEBVKMRXVEH-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290353;MM290353;CON=CCOC=C(C)F;PGFUYXAQPWEXSL-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290354;MM290354;CCC=CCNN=C(C)C;NZDAYGRLJVZUMD-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290355;MM290355;CON=CCNN=C(C)C;ORKNXOHQHASIIZ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290356;MM290356;CC(C)=NOCC=CCN;INROBAODCWTYHC-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290357;MM290357;C=NN(C)C(C=O)CF;NEMVBWJLHHWLRB-UHFFFAOYSA-N;132.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290358;MM290358;CC(C)=NOCC=CCF;GKGQCNHKWPPKLV-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290359;MM290359;CNN=CCON=C(C)C;FQZDTDBBWHUDMG-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290360;MM290360;CC(C)=CCCC=CC#N;MPBGHOBEJLIMII-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290361;MM290361;C=NN=CCCC=C(C)C;PPHPIPRXIHNWOE-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290362;MM290362;C=NN=CCCC=C(C)F;NARUYACDZGEYFV-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290363;MM290363;CC(F)=CCNC=CC#N;XKBOCLPSKCEEKQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290364;MM290364;O=CC=CNCC=C(F)F;HDICFARZHLBNLL-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290365;MM290365;CC(C)=CCN=CNC=N;BFAPZTVYRQEQTD-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290366;MM290366;CC(F)=CCN=CNC=N;DICPHCULDIVAJR-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290367;MM290367;O=CNC=NCC=C(F)F;JCMWFMYDXIZARY-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290368;MM290368;C=NNCC(C)CC(C)O;QFDHWGMFLJBJDH-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290369;MM290369;C=CC=NNCC=C(C)C;LQUSFNRBHFFVQJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290370;MM290370;C=NN=C(C)CCC(C)O;UDXJMNRJKZRLNM-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290371;MM290371;CC(F)=CCNN=CC#N;ATIQQZINWJWKST-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290372;MM290372;C=C(C)C(F)=C(C)C(N)=O;XOOIEKBEWYCFFD-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290373;MM290373;N#CC=NNCC=C(F)F;ICBBNVGUZJUGRM-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290374;MM290374;CC(F)=CCOC=CC=O;XJVQNNFYTLAWFG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290375;MM290375;CC(F)=CCOC=CC#N;CCODVLKHQSXQRH-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290376;MM290376;C=NN=COCC=C(C)F;BIVLQEYAKHSNQT-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290377;MM290377;CC(F)=CCON=CC#N;VASGGMRTHTYOJY-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290378;MM290378;N#CC=NOCC=C(F)F;NUTNCRSEBLOUSZ-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290379;MM290379;CC(F)=COCC=CC=O;PILAPUYNNOFEBU-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290380;MM290380;CC(F)=COCC=CC#N;PZPHWLNAWUCBBM-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290381;MM290381;O=CC=CCOC=C(F)F;FORXNRNRMSUNNM-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290382;MM290382;C=NN=CCOC=C(C)F;YITJTAMCUZNFFB-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290383;MM290383;CC(C)=NNCC=CC=O;XCWFUOFIRZEXPZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290384;MM290384;C=CC=CCON=C(C)C;CEXIMABRXWHDPJ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290385;MM290385;CC(C)=NOCC=CC=O;XTVRCGBPHQQJPY-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290386;MM290386;C=NN=CCON=C(C)C;DXQZMPOOQPCRFG-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290387;MM290387;C#CC=CCCC=C(C)F;ANGYPBQFAUXUAX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290388;MM290388;C#CC=NNCC=C(C)F;BTEASDCMWSBIOZ-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290389;MM290389;C#CC=NNCC=C(F)F;BAKNYZULLPAHEV-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290390;MM290390;C#CC=COCC=C(C)F;HDOJGYKFXDETNM-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290391;MM290391;C#CC=NOCC=C(C)C;QWSBJVJMRKFYHI-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290392;MM290392;C#CC=NOCC=C(C)F;XYYVGGDSXFUIPT-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290393;MM290393;C#CC=CCOC=C(C)F;GMPNJWYSCUTMEJ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290394;MM290394;C#CC=CCON=C(C)C;LKLHYQWJNXMLEU-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290395;MM290395;CC(F)=CCCC#CCN;XKIAXUKORPASOX-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290396;MM290396;NCC#CCCC=C(F)F;MJEGXOOYKPMXRL-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290397;MM290397;CC(C)=COCC#CCN;JLZMSVORZOQIEA-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290398;MM290398;CC(C)=COCC#CCO;WXGVYWYBHATEIW-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290399;MM290399;CC(C)=COCC#CCF;FNEJXTGKIFGZMF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290400;MM290400;CCC#CCOC=C(C)F;XCAVSLZMGMWAJR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290401;MM290401;CC(F)=COCC#CCN;ZBFFFQRHNOWJSP-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290402;MM290402;CC(F)=COCC#CCO;QMGGMUARFWEISK-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290403;MM290403;CC(F)=COCC#CCF;WSTBZYHJSZUKOZ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290404;MM290404;NCC#CCOC=C(F)F;PSSYCGMQFVBZMS-UHFFFAOYSA-N;147.12;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290405;MM290405;OCC#CCOC=C(F)F;GKLSQFRMCCIELA-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290406;MM290406;FCC#CCOC=C(F)F;LSBAPCRQVKOXHR-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290407;MM290407;CCC#CCON=C(C)C;IQDRVNVNBYYMHP-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290408;MM290408;CC(C)=NOCC#CCN;DQZYESAZEPNVPK-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290409;MM290409;CC(C)=NOCC#CCF;ICZXKBDUVIUWBZ-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290410;MM290410;C=CC#CCCC=C(C)C;PSIZGSKOGOYCLL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290411;MM290411;CC(C)=CCCC#CC#N;ADLWDAKXNNUFIH-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290412;MM290412;C=CC#CCCC=C(C)F;CDCQXFNPVIJOIO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290413;MM290413;CC(F)=CCCC#CC#N;BWOZYDFJUANBHB-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290414;MM290414;C=CC#CCCC=C(F)F;RDRQPXHSKOMZDX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290415;MM290415;N#CC#CCCC=C(F)F;DRMGDCOWKRAUCJ-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290416;MM290416;C=CC#CCOC=C(C)C;GWNBZWBBZVKSSZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290417;MM290417;CC(C)=COCC#CC=O;HMOMNCUITALVLM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290418;MM290418;CC(C)=COCC#CC#N;LNDYFUSTXDIVKB-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290419;MM290419;C=CC#CCOC=C(C)F;GVVCPCSBGLYECU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290420;MM290420;CC(F)=COCC#CC=O;HKEJOCTXVLNGQN-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290421;MM290421;CC(F)=COCC#CC#N;YVOHVSNOUOEJPY-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290422;MM290422;C=CC#CCOC=C(F)F;UMGZNMOQWTVTMS-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290423;MM290423;O=CC#CCOC=C(F)F;JNFJBCDTXFXBNW-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290424;MM290424;C=CC#CCON=C(C)C;QPHHIDYFBQFBHM-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290425;MM290425;CC(C)=NOCC#CC=O;SRUBMSGYTWJUCE-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290426;MM290426;CC(=CCC(F)F)C(N)=O;RTWGYMCVKIUUPE-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290427;MM290427;C#CC#CCCC=C(C)C;KUBIUKOSXOSAKM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290428;MM290428;C#CC#CCCC=C(C)F;CDLWOXPLUXRGBZ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290429;MM290429;C#CC#CCCC=C(F)F;HOJBEXRTUAVFLT-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290430;MM290430;C#CC#CCOC=C(C)C;VZWQBNNCYNQBGG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290431;MM290431;C#CC#CCOC=C(C)F;HAOGIDQPURAWDN-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290432;MM290432;C#CC#CCOC=C(F)F;IFSPUSULLHBGQQ-UHFFFAOYSA-N;142.1;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290433;MM290433;C#CC#CCON=C(C)C;XSCYJZJVTSMKEO-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290434;MM290434;CCCC=CCC=C(C)F;ZUSJKUIBRCDJBO-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290435;MM290435;NCCC=CCC=C(F)F;FQVKDWMMGXCAIV-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290436;MM290436;CNCC=CCC=C(C)C;DIIZTWFRGOMFFK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290437;MM290437;CC(C)=CN=CNCCO;BDMWCZTYXTVHBN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290438;MM290438;CCCN=CNC=C(C)F;QODBQZUQGSNMCK-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290439;MM290439;CC(F)=CN=CNCCO;NOZVOGDYMNWZCU-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290440;MM290440;CC(F)=COC=CCCN;KITGCDHLYMQKIE-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290441;MM290441;CC(F)=COC=CCCO;ZFYRIBDLXYYXAZ-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290442;MM290442;CCCC=COC=C(F)F;CQNNLRVMOIRYIK-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290443;MM290443;CNCC=COC=C(C)F;ZNXDOGSEKYRYJG-UHFFFAOYSA-N;145.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290444;MM290444;COCC=COC=C(C)C;YFVMBYZUPGMZIH-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290445;MM290445;COCC=COC=C(F)F;VYGJVPZHZRXGKL-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290446;MM290446;CCOC=COC=C(C)C;KLBUOGLSFAODRF-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290447;MM290447;CCOC=COC=C(C)F;DUEOLVOFPZOOBU-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290448;MM290448;CCOC=COC=C(F)F;XBOBWMAVJMHEBE-UHFFFAOYSA-N;150.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290449;MM290449;CC(=NOCC(N)=O)NN;AZNXFJLYWJYUPC-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290450;MM290450;C=C(C=C(C)F)C(=O)NC;FRFIGEAHUHYYGP-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290451;MM290451;CCON=COC=C(C)C;JAYAJCOEHFUVSU-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290452;MM290452;COC=CCN(N)C(N)=O;XOQJXHMCOZKLGU-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290453;MM290453;CC(C)=CCC=CCC#N;YLOSKVCAMDDBFB-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290454;MM290454;O=CCC=CCC=C(F)F;VSZWTHFIDMIOIU-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290455;MM290455;C=COC=CCC=C(C)C;QKKPJUIREUIDDX-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290456;MM290456;C=CCNC=NC=C(C)C;LVHAMOMWCZSZGH-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290457;MM290457;CC(C)=CN=CNCC=O;ADJGAFYVPCZTHJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290458;MM290458;CC(C)=CN=CNCC#N;RQTPEZVRWPRAPO-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290459;MM290459;C=CCNC=NC=C(C)F;BJVDWXDNPLDAOO-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290460;MM290460;C=CC=NOC(=O)C(C)=O;KGYJZOAAQUNFHB-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290461;MM290461;CC(F)=CN=CNNC=N;JSDJIBZNWHKNFD-UHFFFAOYSA-N;144.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290462;MM290462;CC(C)=CN=CNOC=O;CYBAYXUCVJPJSP-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290463;MM290463;C=CCC=COC=C(C)C;ZWMIEQUMPAMGQM-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290464;MM290464;CC(C)=COC=CCC#N;AAFUXJRENXENCV-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290465;MM290465;CC(F)=COC=CCC#N;BBCRBRHBYQCLDA-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290466;MM290466;CC(C)=COC=CNC=N;OBUZSPROWFRFGF-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290467;MM290467;CC(C)=COC=CNC=O;JKLHUYYAHNBZRU-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290468;MM290468;CC(F)=COC=CNC=N;SUJRIWLEIPPLEM-UHFFFAOYSA-N;144.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290469;MM290469;C=COC=COC=C(C)F;JDVYIJYGFKAMEB-UHFFFAOYSA-N;144.15;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290470;MM290470;CC(F)=COC=COC=O;ZOYWWIVWRAAYQS-UHFFFAOYSA-N;146.12;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290471;MM290471;C=COC=COC=C(F)F;OWRJTEDRDQUQCI-UHFFFAOYSA-N;148.11;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290472;MM290472;O=COC=COC=C(F)F;XKQGDZMZXWQMGJ-UHFFFAOYSA-N;150.08;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290473;MM290473;Cc1nc(=O)nc(N)n1C;ZFTGIBFILFFFDT-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290474;MM290474;CC(C)=COC=NOC=O;FJOUXAOPCLRNIG-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290475;MM290475;CC(F)=COC=NOC=O;KVDBAMWFVZSWEM-UHFFFAOYSA-N;147.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290476;MM290476;O=CON=COC=C(F)F;RQXFTMODKNBYJD-UHFFFAOYSA-N;151.07;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290477;MM290477;CC(C)=NN=CNNC=N;JLCIWFNKOFABRY-UHFFFAOYSA-N;141.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290478;MM290478;C=CC(=O)NCC(=O)CC;RQEZBEXXUWFPLT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290479;MM290479;CC(C)=NOC=NOC=O;BBJIFDFYVQQRAV-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290480;MM290480;C#CCC=CCC=C(F)F;DHMNEXMVUZJZMW-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290481;MM290481;C#CCNC=NC=C(F)F;QJTFIYMTNSGRPT-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290482;MM290482;C#CCC=COC=C(F)F;ZMXJIOAQCOSVCD-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290483;MM290483;C=CC(CCC(C)O)=NN;FEQXGVDKWBRBPX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290484;MM290484;CC=CC=CCC=C(F)F;DQUNEGKLFHQJAS-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290485;MM290485;CNC(=O)C(=CN)CCO;PRWBXTDPXGUJBA-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290486;MM290486;C=NOCOCCNC=O;CDPUFTHIRWMWFR-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290487;MM290487;C=C(C#CC)C(N)=O;XZYDOWGJJWOQGU-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290488;MM290488;CC=CC=COC=C(C)C;FUCBAVSSPVUKNE-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290489;MM290489;CC=CC=COC=C(C)F;UJPUMCVLJVEMRN-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290490;MM290490;CC=CC=COC=C(F)F;UVZWBOAXQCWJKN-UHFFFAOYSA-N;146.14;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290491;MM290491;CC(C)=COC=CC=NN;DBZJQKUOOMOLBA-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290492;MM290492;CC(F)=COC=CC=NN;WKCDNYHFUHDEJI-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290493;MM290493;CC(F)=COC=CC=NO;PAHKWTHMZOEJSY-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290494;MM290494;CC=NN=COC=C(C)C;BXVNPJFOLQKULZ-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290495;MM290495;CC=NN=COC=C(C)F;XURGLVIYJYNJAM-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290496;MM290496;CC=NN=COC=C(F)F;BUXQZMUXMOVTDL-UHFFFAOYSA-N;148.11;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290497;MM290497;CCCC#CCC=C(C)C;DGFDYNASOIRCCB-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290498;MM290498;CC(C)=CCC#CCCN;JHZOWBIAIMVNSD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290499;MM290499;CC(C)=CCC#CCCO;SJPXFUFWOMSITA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290500;MM290500;CCCC#CCC=C(C)F;YGAHPACADHTURG-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290501;MM290501;CCCC#CCC=C(F)F;NEPOCIUOGDHFJH-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290502;MM290502;NCCC#CCC=C(F)F;CWCLGJJSVOMJGT-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290503;MM290503;CNCC#CCC=C(C)C;YEJWMLBBSDWREC-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290504;MM290504;CNCC#CCC=C(C)F;HQBIHKXHDDJTST-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290505;MM290505;CNCC#CCC=C(F)F;ACESCXFSHHVQOD-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290506;MM290506;C=CCC#CCC=C(C)C;FHKKASSPJIIJSD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290507;MM290507;CC(C)=CCC#CCC#N;VKZVRPQIOYXOJO-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290508;MM290508;C=CCC#CCC=C(C)F;VWBXAGGWVKJBBR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290509;MM290509;CC(F)=CCC#CCC#N;UMIDRHWNVPBMOU-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290510;MM290510;C=CCC#CCC=C(F)F;RYRFOWBUCDKDHY-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290511;MM290511;N#CCC#CCC=C(F)F;ZITKLRMLDTWKND-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290512;MM290512;C#CCC#CCC=C(C)C;DHLUQKCWUSDLPY-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290513;MM290513;C#CCC#CCC=C(C)F;LQVODVVQEBWYKF-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290514;MM290514;C#CCC#CCC=C(F)F;YIDUMADWUHVEFZ-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290515;MM290515;CC=CC#CCC=C(C)C;ISEKVFSJACPTJF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290516;MM290516;CC=CC#CCC=C(C)F;NPAFQMIMAMOGKF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290517;MM290517;CC=CC#CCC=C(F)F;JFLNVHCECJCMBF-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290518;MM290518;CC(C)=CCC#CC=NN;JDWWVEFJSGLCJQ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290519;MM290519;CC#CC#CCC=C(C)C;OJDCRPVGRVNWOU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290520;MM290520;CC#CC#CCC=C(C)F;JZVBYQOBVXRLGU-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290521;MM290521;CC#CC#CCC=C(F)F;YPQQNAYZPGCAJY-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290522;MM290522;CNCCC=CC=C(C)C;CDLIWUDGIZOPKL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290523;MM290523;CC(C)=CC=COCCN;NXHWSKJZPDIKJN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290524;MM290524;CC(F)=CC=COCCO;ABGVSNYUIKWXPC-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290525;MM290525;FCCOC=CC=C(F)F;XSAALCUJCAHVKY-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290526;MM290526;COCOC=CC=C(C)C;AYTWPIDSBGOQNE-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290527;MM290527;CCCNN=CC=C(C)C;FAJIATHZAICBOG-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290528;MM290528;CON1C=NC(=N)C1;RJUROEPIIXFATR-UHFFFAOYSA-N;113.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290529;MM290529;NNC1=NCC(=O)O1;DPQUYRRGTITSOY-UHFFFAOYSA-N;115.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290530;MM290530;CCCON=CC=C(C)C;SKSCVPFLMXPAAY-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290531;MM290531;CC(F)=CC=NOCCN;BJMKLYIPDFQZOI-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290532;MM290532;C=NOCCNC(C)=O;SVMXYZKSLDCXKA-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290533;MM290533;NCCON=CC=C(N)N;KVOUYPGJUGVHOW-UHFFFAOYSA-N;144.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290534;MM290534;COCON=CC=C(C)F;USUITHPACYCVID-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290535;MM290535;COCON=CC=C(F)F;RTCXSLODWTWRGL-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290536;MM290536;CCOCC=NN=C(C)C;FQOPRLDUVCFAKJ-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290537;MM290537;CCCOC=NN=C(C)C;ASAAOHFNTDFKES-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290538;MM290538;COCOC=NN=C(C)C;PUIWAENFXQQPJC-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290539;MM290539;CC(F)=CC=CCNC=N;RQZQETMRKYXGFG-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290540;MM290540;CC(F)=CC=COCC#N;FYWJJTMKTIEDIZ-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290541;MM290541;C=CCNN=CC=C(C)C;WPWCFRLXBDGNKZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290542;MM290542;C#CC(C)C(=O)C(=N)N;DCFCGKBBNVGGEP-UHFFFAOYSA-N;124.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290543;MM290543;C=CCNN=CC=C(C)F;IGTBMCDGZLPFDG-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290544;MM290544;C#CC(C#N)NCC#N;FWPIRMKXUKNQCK-UHFFFAOYSA-N;119.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290545;MM290545;C=CCNN=CC=C(F)F;QIGJTRIFDCRSOT-UHFFFAOYSA-N;146.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290546;MM290546;CC(N)=CC(=O)NCCF;BWEBQKWKRRIPGN-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290547;MM290547;C=NNC(C)CCC(C)O;YBZFOIQPRRNUIZ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290548;MM290548;CC(C)=CC=NOCC#N;MAWUGPJUPUETQX-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290549;MM290549;C=CCON=CC=C(C)F;KEZBCAWIWRJQIN-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290550;MM290550;CC(F)=CC=NOCC#N;BIYJMRGUTMSPLP-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290551;MM290551;C=NOC(C)CCC(C)O;KMQMYEUICQJJNO-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290552;MM290552;N#CCON=CC=C(F)F;LKYYAGWTQAIOED-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290553;MM290553;C=NOC(=N)NCC(N)=O;SXJSKZPCEQPPHC-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290554;MM290554;CC(C)=NN=CCCC#N;SGHJMEBJDPZMQQ-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290555;MM290555;CC(C)=NN=CCNC=N;FNEBLCSTXTXKJX-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290556;MM290556;C=NNCC=NN=C(C)C;JUGRDBNCVWSLAX-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290557;MM290557;C=COCC=NN=C(C)C;SLTPJFDEOYMYCZ-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290558;MM290558;CC(C)=NN=CCOC=O;REWXDBIOHUWXTK-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290559;MM290559;C=NOCC=NN=C(C)C;GUQWLHIRTFLOAS-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290560;MM290560;CC(C)=NN=CONC=O;SXZBAMLNPWIGNB-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290561;MM290561;C#CCNN=CC=C(C)C;MIOFHMNJEZADIX-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290562;MM290562;CC(=O)OC(=CNO)N=N;SYZPPLUOWBHDSX-UHFFFAOYSA-N;145.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290563;MM290563;C=CCC(C#N)=CC(N)=O;ICVMPISQEOEERI-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290564;MM290564;C#CCON=CC=C(C)C;AQZQDXGBRUOQII-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290565;MM290565;C#CCON=CC=C(C)F;SXGLMDUEOIJMQU-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290566;MM290566;C#CCON=CC=C(F)F;JDTCFPNBXNGHAH-UHFFFAOYSA-N;145.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290567;MM290567;C#CCOC=NN=C(C)C;AZZSITIKHLMJEQ-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290568;MM290568;CC=CCC=CC=C(C)C;VBGIIFIOSOAOCE-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290569;MM290569;CC(F)=CC=CN=CNN;BRYWMOIFXWTNLU-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290570;MM290570;CCC(=CC(N)=O)C(F)F;CUVHNVPNIVFWTH-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290571;MM290571;CC(F)=CC=COC=NO;VSBZGUAEKDJMRJ-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290572;MM290572;CNC(=CC(N)=O)C(N)=O;BLDAWJAGJUOETE-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290573;MM290573;CC(O)CCCNCC#N;YZWSUKXCEBBVOD-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290574;MM290574;CCC#CCC(=O)C(=N)N;PZLHRXVPLDLFFD-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290575;MM290575;CN=NC(=CNO)CC=O;MXBZKJAHCXTGOS-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290576;MM290576;NC(=O)C(=CC=O)CC=O;SSBUPCXVUWBIDF-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290577;MM290577;C#CC(=C)CNC(=O)C=C;ORFDCWDLRXXPEY-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290578;MM290578;CNC(C#N)CCC(C)O;VIBMDGFIZDUXAN-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290579;MM290579;CC(O)CCC1(CF)CN1;OZQWVPJVSHWMED-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290580;MM290580;CC(F)=CC=NOC=NO;ODBJXEMSNAQIRM-UHFFFAOYSA-N;146.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290581;MM290581;NC(N)=CC=NOC=NO;HDLBDSJUJQQMKK-UHFFFAOYSA-N;144.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290582;MM290582;CC(C)=NN=CCC=NN;ZHTOQVOKYKNWLT-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290583;MM290583;CC(C)=NN=CCC=NO;BLRUHTWFQCFJTR-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290584;MM290584;CC=COC=NN=C(C)C;RDDTYBTXGWNHHW-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290585;MM290585;CC(C)=NN=COC=CF;XOUZMJKZDJEMLQ-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290586;MM290586;CC=NOC=NN=C(C)C;JRASMNSGKBVQCX-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290587;MM290587;CC#CCC=CC=C(C)F;OUFSOWDGAVAYJH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290588;MM290588;CCC=CC=CC=C(C)C;NCIGMZODLBFTKN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290589;MM290589;CC(F)=CC=CC=CCN;GPHVHRUQAQDVRX-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290590;MM290590;CC(F)=CC=CC=CCO;ISEDDEJOXKHSJG-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290591;MM290591;CC(F)=CC=CC=CCF;OFBJADYHGRCNDA-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290592;MM290592;C#CC1(CCC(C)O)CN1;NSBBZTGIFZWMEJ-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290593;MM290593;CCC=NN=CC=C(C)F;VSPLLCAJUCMXBM-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290594;MM290594;CC(F)=CC=NN=CCO;FLYPENRAAMSPDB-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290595;MM290595;CCC=NN=CC=C(N)N;PRVMFHRKTWCTBT-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290596;MM290596;C=COCC(=O)N(C)C=N;YIEWNZNNXCIYFH-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290597;MM290597;OCC=NN=CC=C(F)F;FJGZOSHPQTZKTR-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290598;MM290598;COC=NN=CC=C(C)C;JCPLNGOMSWOGJO-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290599;MM290599;COC=NN=CC=C(C)N;YYDWNGMBSHKDFX-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290600;MM290600;COC=NN=CC=C(C)F;BYSZEBNQGSJCDP-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290601;MM290601;COC=NN=CC=C(F)F;VUTOZRNRTHQASJ-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290602;MM290602;CC(C)=NN=CC=CCN;UKCJBJBBJOLSOZ-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290603;MM290603;CC(C)=NN=CC=CCO;IRXJVHMLHDPJRH-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290604;MM290604;COC=CC=NN=C(C)C;XOHPDGPMVMSUFK-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290605;MM290605;CON=CC=NN=C(C)C;IECOWOSPUQQJRQ-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290606;MM290606;CC(C)=CC=CC=CC#N;SNSQPEJXIUPHEO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290607;MM290607;C=CC=CC=CC=C(C)F;ZTRQXWNPNXMPQG-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290608;MM290608;CC(F)=CC=CC=CC=O;OTFLFTDVKNYJNK-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290609;MM290609;C=CC=CC=CC=C(F)F;AKWGZOWDCWMPTM-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290610;MM290610;O=CC=CC=CC=C(F)F;QLMXAIHBCCTPIH-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290611;MM290611;C=CC=NN=CC=C(C)C;CMFDEMLWBCAVOE-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290612;MM290612;CC(C)=CC=NN=CC#N;DQTCGUPWWBQQKK-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290613;MM290613;C=CC=NN=CC=C(C)N;BMWPLRHTBQLSBH-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290614;MM290614;CC(N)=CC=NN=CC#N;FAZSOJKZMWPZOM-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290615;MM290615;CC(F)=CC=NN=CC#N;KFXPUPNKYPUNCG-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290616;MM290616;C=CC=NN=CC=C(F)F;HWVLLIFVQVPDHR-UHFFFAOYSA-N;144.12;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290617;MM290617;O=CC=NN=CC=C(F)F;KQOBMDSHUCFOEL-UHFFFAOYSA-N;146.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290618;MM290618;N#CC=NN=CC=C(F)F;WZYJBVMSNDUWEP-UHFFFAOYSA-N;143.1;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290619;MM290619;C=CC=CC=NN=C(C)C;OAUOPEGXFINFHS-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290620;MM290620;CC(C)=NN=CC=CC=O;CJSWJGIWPONUSJ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290621;MM290621;CC(C)=NN=CC=CC#N;ZXMXOEJNYVSZOG-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290622;MM290622;C=NN=CC=NN=C(C)C;LPRPDPWHWTVJDJ-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290623;MM290623;C#CC=CC=CC=C(C)C;PLXSJTJWRQLKLU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290624;MM290624;C#CC=CC=CC=C(C)F;HXOJPMMPTYPPSF-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290625;MM290625;C#CC=NN=CC=C(N)N;DIHLSCDGLIUNPO-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290626;MM290626;C#CC=NN=CC=C(F)F;URLSSDNMZZDYAC-UHFFFAOYSA-N;142.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290627;MM290627;C#CC=CC=NN=C(C)C;MVUGBBKQEOOEKN-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290628;MM290628;CCC#CC=CC=C(C)C;RHTDNDLZIUEUBK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290629;MM290629;CC(C)=CC=CC#CCN;UVEHKJQPOKMGCR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290630;MM290630;CCC#CC=CC=C(F)F;DWSYCBSCXFYEFU-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290631;MM290631;CCC#CC=NN=C(C)C;RGGVOTIVIXMOAL-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290632;MM290632;CC(C)=NN=CC#CCN;JOXSPBSTQGIKGR-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290633;MM290633;CC(C)=NN=CC#CCO;YBVIKFYYFVRJQD-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290634;MM290634;CC(C)=NN=CC#CCF;WXHCHTKQOAJSCJ-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290635;MM290635;C=CC#CC=CC=C(C)C;YPUXXDQOCFOTPI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290636;MM290636;CC(C)=CC=CC#CC#N;FYASMTAVIOWJFD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290637;MM290637;C=CC#CC=CC=C(C)F;ZIALRVLRFHMALT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290638;MM290638;CC(F)=CC=CC#CC#N;FEGRHKIATPWYAL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290639;MM290639;C=CC#CC=CC=C(F)F;IYXWNXVRBOULGD-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290640;MM290640;N#CC#CC=CC=C(F)F;OGYIIFGHJXLCLU-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290641;MM290641;C=CC#CC=NN=C(C)C;DXEVPFYBOOREQZ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290642;MM290642;CC(C)=NN=CC#CC=O;OOQJQKXSVZXFMM-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290643;MM290643;CC(C)=NN=CC#CC#N;JZQQGOABFUUDJU-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290644;MM290644;C#CC#CC=CC=C(C)C;STZJKJDQDBHNJF-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290645;MM290645;C#CC#CC=CC=C(C)F;PQSRVRHGXMMRRY-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290646;MM290646;C#CC#CC=CC=C(F)F;RSSGRFMXJQQUIB-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290647;MM290647;C#CC#CC=NN=C(C)C;AWBAJFQMLPBFDU-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290648;MM290648;CCOCC#CC=C(C)C;MUKZFDPKWKBJPZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290649;MM290649;CC(C)=CC#CCNC=N;SSGGUPPJEFVUEG-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290650;MM290650;CC(F)=CC#CCNC=O;YLAWBYMSOIOHBH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290651;MM290651;C=NOCC#CC=C(F)F;SSJIWWYRIBPPNL-UHFFFAOYSA-N;145.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290652;MM290652;C#CCCC#CC=C(C)C;VAJUVQINAOFFGE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290653;MM290653;C#CCCC#CC=C(C)F;XGBZIDBWRVNSOR-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290654;MM290654;CC=CCC#CC=C(C)C;ZTDCWOQLWYWWLY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290655;MM290655;CC=CCC#CC=C(C)F;DBZASFGSQUGUKX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290656;MM290656;CC#CCC#CC=C(C)C;GTGGIAHOEVCLFQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290657;MM290657;CC#CCC#CC=C(C)F;CMKPZXBZFDHLNQ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290658;MM290658;CCC=CC#CC=C(C)C;SVRPGUWHDAWYFL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290659;MM290659;CNN=CC#CC=C(C)F;RYKOKYIDGQFBJL-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290660;MM290660;C=CC=CC#CC=C(C)C;WXFXVUUGANLZRO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290661;MM290661;CC(C)=CC#CC=CC=O;MFVSNRDQHXKNSG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290662;MM290662;C=CC=CC#CC=C(C)F;TUGQIQVTSHVEBJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290663;MM290663;CC(F)=CC#CC=CC#N;WQTUTZWLQGYUHW-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290664;MM290664;C#CC=CC#CC=C(C)C;XSENWCZZTMGUHX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290665;MM290665;C#CC=CC#CC=C(C)F;SFKPQYBBYNIJIZ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290666;MM290666;C#CC=CC#CC=C(F)F;LFNAJZJZESWLNX-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290667;MM290667;CCC#CC#CC=C(C)C;URMATNDDTZGZHB-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290668;MM290668;CC(C)=CC#CC#CCN;YZPNRVJDNDHFJS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290669;MM290669;CC(C)=CC#CC#CCO;KFYMTTBKMIFJQF-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290670;MM290670;CC(C)=CC#CC#CCF;NEGJDJMOGHDTGR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290671;MM290671;CCC#CC#CC=C(C)F;GIVHYAYDRVZWGC-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290672;MM290672;CC(F)=CC#CC#CCN;BFMDPZZYKLTYRX-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290673;MM290673;CC(F)=CC#CC#CCO;NYUHCHUGAKRECF-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290674;MM290674;CC(F)=CC#CC#CCF;ONTLQVCVXXLAHF-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290675;MM290675;CCC#CC#CC=C(F)F;QSJUZERVSGWOLD-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290676;MM290676;NCC#CC#CC=C(F)F;JENONIORVWPPHL-UHFFFAOYSA-N;141.12;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290677;MM290677;OCC#CC#CC=C(F)F;MIUHAPXRKAMSGQ-UHFFFAOYSA-N;142.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290678;MM290678;C=CC#CC#CC=C(C)C;VFIJXSLAYGISAI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290679;MM290679;CC(C)=CC#CC#CC=O;OMVFGHXARTUCAA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290680;MM290680;CC(C)=CC#CC#CC#N;OLEIWMUIEUPTBM-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290681;MM290681;C=CC#CC#CC=C(C)F;NLAFDEDHMUVPGA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290682;MM290682;CC(F)=CC#CC#CC=O;VIEFGSVSHJSILS-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290683;MM290683;CC(F)=CC#CC#CC#N;BRCHWADODSFHBB-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290684;MM290684;C=CC#CC#CC=C(F)F;XCYVCCQKWQAUSK-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290685;MM290685;O=CC#CC#CC=C(F)F;ZBUOCVKUFUEPSU-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290686;MM290686;N#CC#CC#CC=C(F)F;AYYFYHPVBVWUOI-UHFFFAOYSA-N;137.09;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290687;MM290687;C#CC#CC#CC=C(C)C;NXHMSFLGHFIYBG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290688;MM290688;C#CC#CC#CC=C(C)F;NPDADUMSHZHDJB-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290689;MM290689;C#CC#CC#CC=C(F)F;RLEITGDUBNJJNZ-UHFFFAOYSA-N;136.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290690;MM290690;CCC1CN(CC)C1(C)C;MUHQSRWHYSFGIO-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290691;MM290691;CCN1CC(CN)C1(C)C;LTJYKUGLCGHYQJ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290692;MM290692;C=CC1CC(OC)C1(C)C;OOJQFOAYRTUOJP-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290693;MM290693;CC1(C)C(CF)CN1C=N;SRGQLFCAORQCBP-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290694;MM290694;CC1(C)C(CF)CN1C=O;FCGJGROAYXBLBO-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290695;MM290695;C=NN1CC(CF)C1(C)C;GTHMFKQXEYWZEB-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290696;MM290696;CNC1CN(C=N)C1(C)C;YLOFJJMGCDMZFJ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290697;MM290697;COC1CN(C=N)C1(C)C;HPJFZGIFXCAUBX-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290698;MM290698;C=NN1CC(OC)C1(C)C;VLFLCJFHDRYRMK-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290699;MM290699;CC1(C)C(C=O)CN1C=N;DXSFPEUNGMFYNH-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290700;MM290700;CN(N=CNN)C(=O)CF;AVVJNSBFCAZBSG-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290701;MM290701;CCCCC1C(C)C1(C)C;WQSVOAXNVQHJGJ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290702;MM290702;CC1C(CCCN)C1(C)C;VIDAEPUNFSFANA-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290703;MM290703;CC1C(CCCO)C1(C)C;YFOKXQJXZXEYBZ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290704;MM290704;CC1C(CCCF)C1(C)C;LXJQVZRYSATXAB-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290705;MM290705;CCCCC1C(N)C1(C)C;YRBDJYGMGNLBAF-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290706;MM290706;C=CC(C)C(=CF)C(N)=O;FVFGUOAVRDQJDK-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290707;MM290707;CC1(C)C(O)C1CCCN;OZANQOFLEIQOHB-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290708;MM290708;N#CC1NC1CCC(N)=O;ASVPSHPSUKDKQA-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290709;MM290709;CCCCC1C(F)C1(C)C;DNGKBUSXLQOCMH-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290710;MM290710;CCCCC1C(C)C1(C)N;GHSRHJBGVYLKLO-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290711;MM290711;CC1C(CCCN)C1(C)N;OMQFQHLCGVEHDX-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290712;MM290712;CC1C(CCCO)C1(C)N;JHVOTSDPZOHXQN-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290713;MM290713;CC1C(CCCF)C1(C)N;YGCSIELUVAKPDQ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290714;MM290714;CCCCC1C(N)C1(C)N;ZJRJDNJGJIWMOP-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290715;MM290715;CC1(N)C(N)C1CCCN;SCDIYCSKPBJQOU-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290716;MM290716;CC1(N)C(N)C1CCCO;MPQJQLCKQKLNAU-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290717;MM290717;CCCCC1C(O)C1(C)N;UFYMQASOBYDIPP-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290718;MM290718;CCCCC1C(F)C1(C)N;XJGCLTSPUQIMDE-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290719;MM290719;C#CC(CCNC=O)=NN;DTZPLGTXUUJGDS-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290720;MM290720;CC(=NN)C(N)=O;PKGSNUDLHLCIHB-UHFFFAOYSA-N;101.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290721;MM290721;NN=CC#CC(F)F;PLGKKDMJAYJDAC-UHFFFAOYSA-N;118.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290722;MM290722;CCCCC1C(N)C1(C)O;QZGWBXHZCGJSJP-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290723;MM290723;CC1(O)C(N)C1CCCN;QLKJRGJNODIRSV-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290724;MM290724;CCCCC1C(O)C1(C)O;YEKVYWLMFHJFNS-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290725;MM290725;CCCCC1C(C)C1(C)F;XATBMAFNDFSTPR-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290726;MM290726;CC1C(CCCN)C1(C)F;SUHBSDWZHVUNSL-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290727;MM290727;CCCCC1C(N)C1(C)F;RAZGUUYGLFPPCK-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290728;MM290728;CC1(F)C(N)C1CCCN;ZUYQMXJDHLWREA-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290729;MM290729;CCCCC1C(O)C1(C)F;UVAXYOPOHWOCJE-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290730;MM290730;CC1(F)C(O)C1CCCN;LMVXLUMPOLYJMF-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290731;MM290731;CC1(F)C(O)C1CCCO;KZSXAZFAXFBELX-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290732;MM290732;CCCCC1C(C)C1(F)F;DPCHUQTZVDVKDO-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290733;MM290733;CC1C(CCCN)C1(F)F;HZWCIMZVZFKDRS-UHFFFAOYSA-N;149.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290734;MM290734;CNCCC1C(O)C1(C)N;QNULYJCOUVSOEH-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290735;MM290735;CNCCC1C(N)C1(C)O;WIXBCIZMDJPRSM-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290736;MM290736;CNCCC1C(N)C1(C)F;AKDLLNUEAOXAMI-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290737;MM290737;CCNCC1C(C)C1(C)C;OFBNWDBEHNUBPN-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290738;MM290738;CCNCC1C(O)C1(C)C;LBRPMONIUJKILX-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290739;MM290739;CCNCC1C(C)C1(C)N;QUNUUSUHRHWINJ-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290740;MM290740;CCNCC1C(N)C1(C)N;OSCBUTUDQGCXDA-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290741;MM290741;CCNCC1C(O)C1(C)N;MXTOSQDNUQFGHQ-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290742;MM290742;CCNCC1C(F)C1(C)N;CCQAVIDWHWPGLH-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290743;MM290743;CCNCC1C(C)C1(C)O;GDQVNCQLTVSHJW-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290744;MM290744;CCNCC1C(N)C1(C)O;IGEFRPXEFUAQMN-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290745;MM290745;CCNCC1C(O)C1(C)O;PTBDYGMOWYHGFJ-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290746;MM290746;CCNCC1C(F)C1(C)O;XEUNONKINQYHFI-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290747;MM290747;CCNCC1C(N)C1(C)F;JWCUTKXFGWCNOO-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290748;MM290748;CCNCC1C(C)C1(F)F;HFCXGDPRDKZHBV-UHFFFAOYSA-N;149.18;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290749;MM290749;CCOCC1C(C)C1(C)C;PXHHEHBPTQOCFE-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290750;MM290750;CCOCC1C(N)C1(C)C;XKNCKGBNOXPJTO-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290751;MM290751;CCOCC1C(O)C1(C)C;DNJHZCBRZZTMEI-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290752;MM290752;CCOCC1C(C)C1(C)N;NDJXDWDIVNNIDM-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290753;MM290753;CCOCC1C(N)C1(C)N;RHCSUFYSOURPLB-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290754;MM290754;CCOCC1C(O)C1(C)N;ZKIMTPHIYZOYGP-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290755;MM290755;CCOCC1C(C)C1(C)O;OWYJCSQOYMRKNH-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290756;MM290756;CCOCC1C(N)C1(C)O;YJQAYJZCSWGIAK-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290757;MM290757;CCOCC1C(O)C1(C)O;TYCRLQFSWMFOJI-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290758;MM290758;CCOCC1C(N)C1(C)F;VESGWIYJYLOLNB-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290759;MM290759;CCCNC1C(C)C1(C)C;PMZHKYCYBKRKGN-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290760;MM290760;CCCNC1C(N)C1(C)C;IVVRGQQIRNKEPR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290761;MM290761;CC1(C)C(N)C1NCCN;LZMUCXUDXZGCER-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290762;MM290762;CCCNC1C(O)C1(C)C;IGLLXIUMFJZMRU-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290763;MM290763;CC1(C)C(O)C1NCCN;SJDATUGNPZRNIQ-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290764;MM290764;CCCNC1C(C)C1(C)N;CAKIZKTWJPYMSP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290765;MM290765;CC1C(NCCO)C1(C)N;UIUXEVQEKPORFP-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290766;MM290766;CC1(N)C(N)C1NCCN;SMESUBYBLYEWDT-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290767;MM290767;CCCNC1C(O)C1(C)N;UTKNBKNAXUWORB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290768;MM290768;CCCNC1C(F)C1(C)N;KJRKDEIOYVMVNS-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290769;MM290769;CC1C(NCCN)C1(C)O;FKMHHUQJXBDEFY-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290770;MM290770;CCCNC1C(N)C1(C)O;JPPKKMCWTAUACZ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290771;MM290771;CCCNC1C(O)C1(C)O;LYWXUAZTNSPCFD-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290772;MM290772;CC1(F)C(N)C1NCCN;XAWCQRROVIFBCG-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290773;MM290773;NCCNC1C(N)C1(F)F;GWRULGBBKKWSJU-UHFFFAOYSA-N;151.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290774;MM290774;CCCOC1C(C)C1(C)C;IDQWSIABXBIKIG-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290775;MM290775;CC1C(OCCN)C1(C)C;LJCCGDVOCAURRO-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290776;MM290776;CCCOC1C(N)C1(C)C;HWORKQQQVCEOCX-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290777;MM290777;CCCOC1C(O)C1(C)C;QUVIIOLOFLEERS-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290778;MM290778;CCCOC1C(F)C1(C)C;OOZRBOOUTZOCEY-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290779;MM290779;CCCOC1C(C)C1(C)N;BPVGOVHGGZQURT-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290780;MM290780;CC1C(OCCN)C1(C)N;QQWJQAXYQBEURV-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290781;MM290781;CC1(N)C(N)C1OCCN;KMYWDFJJLFFSCK-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290782;MM290782;CC1(N)C(N)C1OCCO;FGZDEANEXUXCFH-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290783;MM290783;CC1(N)C(O)C1OCCO;WNIMLMYMJZNQOC-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290784;MM290784;CCCOC1C(C)C1(C)O;CMGNVSYTTNMWLJ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290785;MM290785;CC1C(OCCN)C1(C)O;SNATXOFTBVPYQG-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290786;MM290786;CCCOC1C(N)C1(C)O;SBCNRQPRBJRTCN-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290787;MM290787;CCCOC1C(O)C1(C)O;NJOBDNXQQFHOPO-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290788;MM290788;CCCOC1C(C)C1(C)F;XLFZPHMRFPLGKP-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290789;MM290789;CC1C(OCCN)C1(C)F;SHNCHSGFDNVPOC-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290790;MM290790;CC1(F)C(N)C1OCCN;LGSGSQVCOOVRDC-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290791;MM290791;CCCOC1C(O)C1(C)F;YHFRASJTKKWVSS-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290792;MM290792;CCCOC1C(C)C1(F)F;HRCVJZZMBBZXER-UHFFFAOYSA-N;150.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290793;MM290793;COCOC1C(C)C1(C)C;UTHLBIAANFFMIE-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290794;MM290794;COCOC1C(C)C1(F)F;ZPSMZBUDWBEVFL-UHFFFAOYSA-N;152.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290795;MM290795;CN1C(CCCN)C1(C)C;PGBGSEKERVHXBW-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290796;MM290796;CNCCC1N(C)C1(C)C;OZPQYAMBMTWKRZ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290797;MM290797;CCNCC1N(C)C1(C)C;RBGWHHBVUJKJKW-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290798;MM290798;CCOCC1N(C)C1(C)C;ODQOVXOWQHHJPG-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290799;MM290799;CC1N(CCCN)C1(C)C;PHSKCWWDKVEXTL-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290800;MM290800;C=CCCC1C(C)C1(C)C;GRPKMESEBFWGPQ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290801;MM290801;CC1C(CCC=O)C1(C)C;JNTATJJXDRUGMF-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290802;MM290802;CC1C(CCC#N)C1(C)C;KQGNBHISDHHOBN-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290803;MM290803;CCCc1cn[nH]c1;YAXKXMVDJJMGRY-UHFFFAOYSA-N;110.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290804;MM290804;C=CCCC1C(C)C1(C)N;CGNIUBXBHRRGES-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290805;MM290805;NC(=O)N(N)C1CC1;PKMWISJJIUCPNV-UHFFFAOYSA-N;115.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290806;MM290806;CN(C(N)=O)N1CC1;PPIOJWWBMXXQGR-UHFFFAOYSA-N;115.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290807;MM290807;CC(=NN)OCC(N)=O;NWZVWKMJXQZZFM-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290808;MM290808;C=CCCC1C(C)C1(C)F;XWVMCIJNIBSQAW-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290809;MM290809;CC1C(CCC#N)C1(C)F;HKOAHASRDFRXRL-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290810;MM290810;C=CCCC1C(N)C1(C)F;XPIVDFOJWBXIGY-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290811;MM290811;C=CCCC1C(C)C1(F)F;IBUPMKLPNJLASB-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290812;MM290812;CC1C(CNC=N)C1(C)C;PUPBOMTXBMPVQD-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290813;MM290813;CC1(C)C(N)C1CNC=O;KMOVODDMBXWVDE-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290814;MM290814;CC1(C)C(O)C1CNC=N;OXRCDXGQSKOOKI-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290815;MM290815;CC1C(CNC=O)C1(C)N;PWGYNLHIMDFEDG-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290816;MM290816;CC1(N)C(N)C1CNC=O;YPMWZQRXLAXKNF-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290817;MM290817;CC1(N)C(O)C1CNC=N;IWPRQIRITOVARQ-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290818;MM290818;CC1C(CNC=N)C1(C)O;FILIBAYEFYSCHK-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290819;MM290819;CC1C(CNC=O)C1(C)O;AQXXDWSLNCFVBK-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290820;MM290820;CC1(F)C(O)C1CNC=N;BIQRWYUVEAQVFN-UHFFFAOYSA-N;146.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290821;MM290821;CC1C(CNC=N)C1(F)F;FAUNTYYCMKZARN-UHFFFAOYSA-N;148.16;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290822;MM290822;C=NNCC1C(O)C1(C)N;YCVWRURPRGCKGV-UHFFFAOYSA-N;143.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290823;MM290823;C=NNCC1C(N)C1(C)F;UJASDJAETNGNSN-UHFFFAOYSA-N;145.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290824;MM290824;NC(=O)C=CC(=O)C=O;YPICAQYSPPFJHD-UHFFFAOYSA-N;127.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290825;MM290825;C=NNCC1C(C)C1(F)F;ZETWYEDUPLCPNZ-UHFFFAOYSA-N;148.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290826;MM290826;C=COCC1C(C)C1(C)C;SETYQJCWFQXISF-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290827;MM290827;CC1(C)C(N)C1COC=O;VCGBSTAJUDDXOL-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290828;MM290828;CC1C(COC=O)C1(C)N;MNEHCBQSYPYXPP-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290829;MM290829;C=COCC1C(C)C1(C)O;FTQDMZYMRNJQTD-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290830;MM290830;C=COCC1C(C)C1(C)F;MTGRHNNTOIRYLW-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290831;MM290831;C=NOCC1C(C)C1(C)C;GPDBNCDGTXJCRE-UHFFFAOYSA-N;141.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290832;MM290832;C=NOCC1C(C)C1(C)N;NNNDDGVKRINFFT-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290833;MM290833;CNN=COCC(N)=O;RTEVVOMHYOBALA-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290834;MM290834;C=NOCC1C(C)C1(C)F;GULIUNDWBGUPMO-UHFFFAOYSA-N;145.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290835;MM290835;C=NOCC1C(N)C1(C)F;LFTJUSNNJMBZPO-UHFFFAOYSA-N;146.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290836;MM290836;CNN=CC#CC(F)F;JIEDLVUDVUXMFG-UHFFFAOYSA-N;132.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290837;MM290837;CC1(C)C(F)C1NCC#N;STMPMNALPFHKBS-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290838;MM290838;C=CCNC1C(C)C1(C)N;AQLTUKHJHFDTAK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290839;MM290839;CN(N=CN)C(=O)CF;FWEBHDURGPUWIM-UHFFFAOYSA-N;133.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290840;MM290840;CC1C(NCC#N)C1(C)F;YQLLRDWMWKDEJO-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290841;MM290841;CN(CCC#N)CC(N)=O;ANSAMTNLFJJBGJ-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290842;MM290842;C=CCNC1C(C)C1(F)F;ZIFYDSYTPFHZFD-UHFFFAOYSA-N;147.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290843;MM290843;CC1(C)C(N)C1NNC=N;VIEOXJDEFKNRCQ-UHFFFAOYSA-N;142.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290844;MM290844;CC1(C)C(F)C1NNC=N;CSCHLKAZXVQUTP-UHFFFAOYSA-N;145.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290845;MM290845;CC1C(NNC=N)C1(F)F;MKNZRRPKBNAJHI-UHFFFAOYSA-N;149.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290846;MM290846;CC1C(OCC=O)C1(C)C;KXYJHLGWNFRBKB-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290847;MM290847;CC1(C)C(O)C1OCC#N;DVQLRASRZCDFGX-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290848;MM290848;C=CCOC1C(C)C1(C)N;VIEIWZBNOQPNED-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290849;MM290849;C=CCOC1C(C)C1(C)O;XPDGHIAMXLPLLL-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290850;MM290850;CC1C(OCC=O)C1(C)O;BFEKVYNQVOOBOJ-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290851;MM290851;CC1C(OCC#N)C1(C)O;OXMDRRHZGOXBHS-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290852;MM290852;C=CCOC1C(C)C1(C)F;RCCGFWOMRCMGES-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290853;MM290853;CC1C(OCC=O)C1(C)F;OGABDPMBJREASV-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290854;MM290854;CC1C(OCC#N)C1(C)F;VPURJVOWLRBTBR-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290855;MM290855;C=CCOC1C(O)C1(C)F;XCULOYRMGHGWSI-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290856;MM290856;C=CCOC1C(C)C1(F)F;MQDIZTWOEWVERH-UHFFFAOYSA-N;148.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290857;MM290857;CC1C(OCC#N)C1(F)F;BNDXROWDORQHAN-UHFFFAOYSA-N;147.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290858;MM290858;CC1C(ONC=O)C1(C)C;IIRHCSVNHYHMQJ-UHFFFAOYSA-N;143.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290859;MM290859;C#CC=NN(C)CC(N)=O;JNORAGXYTLPGHG-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290860;MM290860;CN1C(CNC=N)C1(C)C;DUUNSIWASORYJQ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290861;MM290861;C=NNCC1N(C)C1(C)C;DLJOCYAWEXWFSM-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290862;MM290862;CN(C=NN)OCC(N)=O;UICRQVOWEHGPCW-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290863;MM290863;CC1N(CCC#N)C1(C)C;JSEAHHZYANEWDZ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290864;MM290864;C#CCCC1C(C)C1(C)C;KRHALPSTVCGSNS-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290865;MM290865;C#CCCC1C(N)C1(C)C;JQKCCYBLFDTDRT-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290866;MM290866;CCNC(=O)C=CC(N)=O;LMUKJAZFWLIKCI-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290867;MM290867;C#CCCC1C(C)C1(C)N;OIWZSVUQFOASKB-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290868;MM290868;C#CCCC1C(N)C1(C)N;ZDMSRBIZZRXDBI-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290869;MM290869;COC(=O)N(N)CC(N)=O;BPXRFRIMIQMSKS-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290870;MM290870;C#CCCC1C(C)C1(C)F;GAAODXHGKUZRJK-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290871;MM290871;C#CCCC1C(C)C1(F)F;ZJAGZHZHOHXAOZ-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290872;MM290872;C#CCNC1C(C)C1(C)C;PVIITRIXRSVMIL-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290873;MM290873;C#CCNC1C(N)C1(C)C;FBUYYJXSGCZFOV-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290874;MM290874;C#CCNC1C(C)C1(C)N;YACBEVZDRYTCQA-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290875;MM290875;C#CCNC1C(N)C1(C)N;LVOLLSBBJQANTE-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290876;MM290876;C#CCNC1C(C)C1(C)O;AYABZUKDLBXCFY-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290877;MM290877;C#CCNC1C(C)C1(F)F;HWQMPSKEVDDUBI-UHFFFAOYSA-N;145.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290878;MM290878;C#CCOC1C(C)C1(C)C;DXAUNMSQXARXFC-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290879;MM290879;C#CCOC1C(O)C1(C)C;HSZSKAFFFIPUDP-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290880;MM290880;C#CCOC1C(C)C1(C)N;HYFLTHJTTCGJRY-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290881;MM290881;C#CCOC1C(C)C1(C)O;ZTIXUIFZKDHIPI-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290882;MM290882;C#CCOC1C(C)C1(C)F;MKLWAQBPJRAQFE-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290883;MM290883;C#CCOC1C(C)C1(F)F;ZGXHKKIVGMYOMR-UHFFFAOYSA-N;146.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290884;MM290884;CC=CCC1C(C)C1(C)C;CUUZNGHKHOXXRC-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290885;MM290885;CC=CCC1C(N)C1(C)C;WNSWRHMALASPJL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290886;MM290886;NC(=O)C=C(C=O)CCO;MLLXVEYFFYJSQO-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290887;MM290887;CC=CCC1C(F)C1(C)C;BLNYNZHWJNFSFA-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290888;MM290888;CC=CCC1C(C)C1(C)N;KPZCQKXODXREDS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290889;MM290889;CC1C(CC=CF)C1(C)N;RLSDLBDWZYSHPM-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290890;MM290890;CC=CCC1C(N)C1(C)N;NHNPXFUWNYRECY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290891;MM290891;CC1(N)C(N)C1CC=CF;GMJCTGPDLXMBNR-UHFFFAOYSA-N;144.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290892;MM290892;CC=CCC1C(O)C1(C)N;NANGOQUERDWDAJ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290893;MM290893;C=C(C)CC(=CF)C(N)=O;SFAQYIDLBNESER-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290894;MM290894;CC=CCC1C(N)C1(C)O;PBMSRFCWMBMITA-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290895;MM290895;CC=CCC1C(O)C1(C)O;ASUFLMNZWVOAGM-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290896;MM290896;CC=CCC1C(C)C1(C)F;XXKPGBBVXQRWRO-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290897;MM290897;CC=CCC1C(N)C1(C)F;RGFIUJIFCUJIBZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290898;MM290898;CC=CCC1C(O)C1(C)F;QBTKGVPGWAFXFJ-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290899;MM290899;CC=CCC1C(C)C1(F)F;IQBPVOZOMIFSNA-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290900;MM290900;CC1C(CC=NO)C1(C)C;IXHNOHFUNTYGED-UHFFFAOYSA-N;141.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290901;MM290901;CCCC(=NOC)C(N)=O;MPZQDQYQKJAOIY-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290902;MM290902;CC1C(CC=NN)C1(C)F;SEUNXENTAKQWOE-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290903;MM290903;CN=CNC1C(C)C1(C)C;MMDBDWVRVBMBAT-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290904;MM290904;CC1C(N=CNN)C1(C)C;FVAIAWYHVQKERC-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290905;MM290905;CN=CNC1C(C)C1(C)N;FLKXKZDEIXAAJD-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290906;MM290906;CN=CNC1C(N)C1(C)N;BTBMJMFNKKZRQN-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290907;MM290907;CN=CNC1C(N)C1(C)O;SAUSTGIIIGRWIQ-UHFFFAOYSA-N;143.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290908;MM290908;CC=NNC1C(C)C1(C)C;VRZGJWNESDSOGD-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290909;MM290909;CC=NNC1C(C)C1(C)N;ODNVOXRATFZFIJ-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290910;MM290910;C#CC1(CNC(C)=O)CN1;GAAVKMZRBQHHGY-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290911;MM290911;C=C(CNC=O)OC=NN;JRIQYEPVUFZXKT-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290912;MM290912;CN(OC=NN)C(=O)CF;NKSJJEDZTJQTJQ-UHFFFAOYSA-N;149.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290913;MM290913;CC=COC1C(C)C1(C)C;YVZKKJLVYAZKAP-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290914;MM290914;CC=COC1C(N)C1(C)C;QGERNYMXOIYUPR-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290915;MM290915;CC=COC1C(F)C1(C)C;XWODFLQMRVWQIY-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290916;MM290916;CC=COC1C(C)C1(C)N;AXJUNFGMWVSLBO-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290917;MM290917;CC=COC1C(C)C1(C)O;URLMWLWDXWADDT-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290918;MM290918;CC=COC1C(C)C1(C)F;MWUJZPWRQCSRFE-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290919;MM290919;CC=COC1C(C)C1(F)F;WFUHECREAOVSCO-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290920;MM290920;CC1(C)C(N)C1OC=NO;TZMJGSKDTNDQFM-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290921;MM290921;CC1(C)C(F)C1OC=NO;OMKKOMONZNDCMK-UHFFFAOYSA-N;147.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290922;MM290922;CC=NOC1C(C)C1(C)C;KTJCZJGIEZJJNS-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290923;MM290923;CC=NOC1C(F)C1(C)C;MNZGBCLUZHFVDV-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290924;MM290924;CC=NOC1C(C)C1(C)N;YVIZXTCWFJNLLE-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290925;MM290925;C#CC=NN(C)C(=O)CF;IFBKYQJHEMOYKT-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290926;MM290926;CC=NOC1C(N)C1(F)F;ZCVCIRPWHIEKKN-UHFFFAOYSA-N;150.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290927;MM290927;CC1N(CC=NN)C1(C)C;DQSMIYIQBFWEQS-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290928;MM290928;CC#CCC1C(C)C1(C)C;FFHDKBZQJPQTNK-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290929;MM290929;CC#CCC1C(N)C1(C)C;GZEHCLJVVHNFGO-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290930;MM290930;CC#CCC1C(F)C1(C)C;YFVGKDZUTJGTML-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290931;MM290931;CC#CCC1C(C)C1(C)N;DVMQNXXIRUQONP-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290932;MM290932;CC#CCC1C(N)C1(C)N;NXBFAJDQUDKCDZ-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290933;MM290933;CC#CCC1C(O)C1(C)N;SEEUBAGMYNEDRK-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290934;MM290934;CCON=CCC(=O)CF;ZYUQAVUGCBQSLV-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290935;MM290935;CC#CCC1C(N)C1(C)O;DCFWVVPWFRMXGG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290936;MM290936;CC#CCC1C(O)C1(C)O;UFWZGAKWXXJEOH-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290937;MM290937;CC#CCC1C(C)C1(C)F;XOWWVDVDMVENCB-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290938;MM290938;CC#CCC1C(N)C1(C)F;OVWCRUVKLDDARC-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290939;MM290939;CC#CCC1C(O)C1(C)F;ODCYNHFCHSYQSR-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290940;MM290940;CC#CCC1C(C)C1(F)F;COFKUEWQUMOUAY-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290941;MM290941;CC#CCN1C(C)C1(C)C;FUJKPDMALYZJGV-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290942;MM290942;C=CC1CCC(=O)C1(C)C;FXJIIGNUCAFHEE-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290943;MM290943;C=C1CCC(=CC)C1(C)C;MQRJDNKWMSVLSU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290944;MM290944;CC=C1CCC(=O)C1(C)C;AEDNLWMTWAVNTN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290945;MM290945;CC=C1C=CC(=O)C1(C)C;IRBMKMCFJFECQL-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290946;MM290946;CC1(C)C(C#N)=CCC1F;DXRDFNBOIISGMX-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290947;MM290947;C#CC1=CCC(C)C1(C)C;BWYWAHRAQNGREZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290948;MM290948;C#CC1=CCC(N)C1(C)C;YSEPYVLNSKCXOR-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290949;MM290949;CC=CCC(=CF)C(N)=O;KUMLBJBSJFCJRX-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290950;MM290950;C#CC1=CCC(F)C1(C)C;KFKJYHIBDPXSHE-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290951;MM290951;CCC1=CCC(=O)C1(C)C;VOECOXOVVZAMBC-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290952;MM290952;CCC1=CNC(=N)C1(C)C;GDLPQLVDFAKEQD-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290953;MM290953;CCC1=CNC(=O)C1(C)C;HNHQIOWJHWRZPF-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290954;MM290954;C=CC1=CCC(=C)C1(C)C;AAKDYSVQWGULDH-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290955;MM290955;C=C1CC=C(C#N)C1(C)C;CPBGRIFBEWNOBX-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290956;MM290956;C=CC1=CCC(=O)C1(C)C;HTSWIOZGSAVXAD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290957;MM290957;CC1(C)C(=O)CC=C1C#N;ZOSQSSPIHYHDPR-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290958;MM290958;C=CC1=CNC(=N)C1(C)C;KAVHVGVEWHNNRB-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290959;MM290959;CC1(C)C(=N)NC=C1C#N;FDFGQPPEFXGSRU-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290960;MM290960;C=CC1=CNC(=O)C1(C)C;FUMASRFREJIUOU-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290961;MM290961;CC1(C)C(=O)NC=C1C#N;UOIKWPQLAGQUSO-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290962;MM290962;C=CC1=COC(=O)C1(C)C;YZSMJVNCBZJIMT-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290963;MM290963;CC1(C)C(=O)OC=C1C#N;SYOWOVRALQRNEY-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290964;MM290964;C#CC1=CCC(=C)C1(C)C;JLHFDEQXSHKOEC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290965;MM290965;C#CC1=CCC(=O)C1(C)C;SAJCUWNROFAKSC-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290966;MM290966;C#CC1=CNC(=N)C1(C)C;KQZXEPCNUDKEGT-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290967;MM290967;C#CC1=CNC(=O)C1(C)C;OWPGAKNHIJJRJD-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290968;MM290968;C#CC1=COC(=O)C1(C)C;ACSDLURBJAYJHX-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290969;MM290969;NC(=O)C(N)=CC=O;YEGWXQZRUDUNBL-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290970;MM290970;C#CC1=NNC(=O)C1(C)C;QKYYNXTXWKRIMI-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290971;MM290971;CCC1=CC=C(F)C1(C)C;AYFFNHGJLWMHQM-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290972;MM290972;CC1(C)C(F)=CC=C1CN;UYQRLPPUJWEQEF-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290973;MM290973;C=CC1=CC=C(C)C1(C)C;MUEQHMDLYOVTNL-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290974;MM290974;CC1=CC=C(C#N)C1(C)C;MOLPFQQYSGSFQR-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290975;MM290975;C=CC1=CC=C(F)C1(C)C;RYYCRWJVOGFPGY-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290976;MM290976;CC1(C)C(F)=CC=C1C=O;RCFMKLSGEOONLS-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290977;MM290977;CC1(C)C(F)=CC=C1C#N;HGWRDHALZMDELI-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290978;MM290978;C#CC1=CC=C(C)C1(C)C;KOHUDIOPEYEQKV-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290979;MM290979;C#CC1=CC=C(F)C1(C)C;FHQLUNMTHPVPBG-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290980;MM290980;C#CC1=NN=C(C)C1(C)C;AXBWFKYVLMSONS-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290981;MM290981;CCCCCC1CC1(C)F;DMBYXZYGAGFZOW-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290982;MM290982;CCCCCC1CC1(F)F;SQWCNNGDDUUAOY-UHFFFAOYSA-N;148.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290983;MM290983;CCOCCC1CC1(C)C;QJGRAZKKCBUSMC-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290984;MM290984;CCOCCC1CC1(C)O;ALUSNGGQRAXJPL-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290985;MM290985;CC1(C)CC1COCCN;IPHIERSNUCHGNH-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290986;MM290986;CC1(O)CC1COCCN;GFOHWNLLIKRONU-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290987;MM290987;CC1(F)CC1COCCN;HQSMOBDJCSDWKZ-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290988;MM290988;CCNCCC1NC1(C)C;YAHYRUSGJFFDMX-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290989;MM290989;CC1(C)CC1CCCC#N;FXFCMPAEUCUEAB-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290990;MM290990;CC1(C)CC1CNCC#N;RXSLBMCYLHMKOY-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290991;MM290991;CC1(C)CC1COCC#N;GNSKUAVRPBVQAL-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290992;MM290992;C=CCOCC1CC1(C)N;VUKUMKMASGTODR-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290993;MM290993;C=CCOCC1CC1(C)F;SCDMCPOXGQLDMR-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290994;MM290994;C=CCCNC1CC1(C)C;WUTOXUSGORBMTL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290995;MM290995;C=CCOCC1OC1(C)C;HXZKAJGYSHZZAS-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290996;MM290996;C#CCCCC1CC1(C)N;HHFXOZDPEXBZHT-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290997;MM290997;NN=Cc1ccc[nH]1;ZDCIDTXGDXBIMP-UHFFFAOYSA-N;109.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290998;MM290998;C#CCCCC1CC1(C)F;MBSUIKXFPWJLIF-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM290999;MM290999;C#CCOCC1CC1(C)C;PFXRZJUNYIVPHE-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291000;MM291000;C#CCOCC1CC1(C)N;WYEHLDMESVLJOV-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291001;MM291001;C#CCOCC1CC1(C)F;ROPVYZWIRBGSCO-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291002;MM291002;C#CCOCC1CC1(F)F;KKXKWSIZDMVVMZ-UHFFFAOYSA-N;146.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291003;MM291003;C#CCCCC1OC1(C)C;JFMKKTKOBHNEGL-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291004;MM291004;C#CCNCC1OC1(C)C;LISLDZKLCGYMMN-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291005;MM291005;CC=CCCC1CC1(C)C;BTSFVTDHXQDZJJ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291006;MM291006;CC=CCCC1CC1(C)N;NJGMQRVKINYXJU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291007;MM291007;CC(C)C(F)=CC(N)=O;XXJZLFOTFKHLGK-UHFFFAOYSA-N;131.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291008;MM291008;CC=COCC1CC1(C)N;LJBZQHGHGHLQSQ-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291009;MM291009;CC=COCC1CC1(C)O;CNVCBTUQGFHMEE-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291010;MM291010;CC=COCC1CC1(C)F;AIEGPGSWPZTGMN-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291011;MM291011;NN=CCOCC(N)=O;KNHCJWXUVYFQPW-UHFFFAOYSA-N;131.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291012;MM291012;NC(=O)C=CCNC=O;MCIGRUKDPWAXFP-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291013;MM291013;CC#CCCC1CC1(C)N;ZFZQWAMLWVVNOC-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291014;MM291014;CC#CCOC1CC1(C)O;HFGDZBOZVCKBCC-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291015;MM291015;CC#CCOC1CC1(F)F;PCQFWEHKDVJSQW-UHFFFAOYSA-N;146.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291016;MM291016;CC1(F)CC1CC=CCN;LZPQIUHQMMTGJL-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291017;MM291017;CC1(F)CC1CC=CCO;PJIIMQORKFFVGK-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291018;MM291018;CC1(F)CC1CC=CCF;YBLXETIKAHQRSL-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291019;MM291019;COC=NNC1CC1(C)N;VGSROKYKVLHROG-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291020;MM291020;CC1(C)CC1CC=CC#N;QTCLOPJPLBWCQN-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291021;MM291021;C=CC=CCC1CC1(C)N;YUOWFWOVBFMSSG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291022;MM291022;CC=NOC(=O)C(C)=O;MATUZMCOEOBAKE-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291023;MM291023;CC1(C)CC1NC=CC#N;SGJCQNXHQZNUPH-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291024;MM291024;CC1(C)CC1NN=CC#N;WQBIPKFEIKSWOD-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291025;MM291025;CC1(C)CC1ON=CC#N;OKCJCECNBIUYCD-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291026;MM291026;C=CC=NOC1CC1(C)N;XQLXKPPIUGKXIP-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291027;MM291027;C=CC=NOC1CC1(C)F;RUUMOEFNPWZFPV-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291028;MM291028;CN=NC(=CNO)NN;ONPOXPRBMCVYMW-UHFFFAOYSA-N;131.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291029;MM291029;C#CC=CCC1CC1(C)N;WUJKTBVGANDSGV-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291030;MM291030;C#CC=CCC1CC1(C)F;VHEIELGBIVWJMX-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291031;MM291031;C#CC=NNC1CC1(C)N;DWNILODFMOINLD-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291032;MM291032;C#CC=COC1CC1(C)C;OBLZEJLTFSYDAO-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291033;MM291033;C#CC=COC1CC1(C)N;NZCYWCYLORHSEJ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291034;MM291034;C#CC=NOC1CC1(C)N;FTYOGEWBHROTFO-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291035;MM291035;C=NOC(CC)C(N)=O;LTRZQWCSWXQDLR-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291036;MM291036;C#CC=NOC1CC1(C)F;LCTFTBRSZLIWEA-UHFFFAOYSA-N;141.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291037;MM291037;C#CC=NOC1CC1(F)F;WAMQAIYQUKTZDC-UHFFFAOYSA-N;145.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291038;MM291038;C#CC=CCC1OC1(C)C;DEZDAMXOVCYNOG-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291039;MM291039;CCC#CCC1CC1(C)C;RSBFYTKTFMZGKP-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291040;MM291040;CC1(C)CC1CC#CCN;KDXAMOLBODKWAI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291041;MM291041;CCC#CCC1CC1(C)N;CHYCHLYBWFJJJP-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291042;MM291042;CC1(N)CC1CC#CCN;VTTIQOKVRNKVNV-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291043;MM291043;CNc1nc(N)n(C)n1;DGUAZAUYUVDKNA-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291044;MM291044;CC1(O)CC1CC#CCN;JZFLDAXJIKXBSP-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291045;MM291045;CCC#CCC1CC1(C)F;UWYMPQXBDVTKOD-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291046;MM291046;CC1(F)CC1CC#CCN;GVZRYLZSSUSIBW-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291047;MM291047;CCC#CCC1CC1(F)F;BWFNIPHLRNLRQZ-UHFFFAOYSA-N;144.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291048;MM291048;CC1(C)NC1CC#CCN;JSLMYHJLCUUCON-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291049;MM291049;CCC#CCC1OC1(C)C;AWMBHBLIOWJSGQ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291050;MM291050;CC1(C)OC1CC#CCN;IBFZPVMAOHWBFY-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291051;MM291051;CCC#CCN1CC1(C)C;JWNKVTKKZWKWJJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291052;MM291052;CC1(C)CN1CC#CCN;PVNVLPMPVJKFNH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291053;MM291053;C=CC#CCC1CC1(C)C;AQDKBWUCGPCWAL-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291054;MM291054;CC1(C)CC1CC#CC#N;QFJTWXFDWYKVAZ-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291055;MM291055;C=CC#CCC1CC1(C)N;NJCKASHUPDYZGG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291056;MM291056;C=CNC1=NCC(=O)O1;OCZNRQHPIRFOHJ-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291057;MM291057;CN1C(C=O)C1C(N)=O;OJGBYNLQFBEQDD-UHFFFAOYSA-N;128.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291058;MM291058;C=CC#CCC1CC1(C)F;XZENUJXRTVFUAI-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291059;MM291059;CC1(F)CC1CC#CC#N;RYNJYBQJZKNONZ-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291060;MM291060;C=CC#CCC1CC1(F)F;NAWUTLZGSOUFPC-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291061;MM291061;N#CC#CCC1CC1(F)F;OWLANUXJDYDILL-UHFFFAOYSA-N;141.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291062;MM291062;C=CC#CCC1OC1(C)C;CNTGXGDYWKCSOI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291063;MM291063;CC1(C)OC1CC#CC#N;IMUPBOZXSMGCBH-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291064;MM291064;C=CC#CCN1CC1(C)C;ODEYWVAWFFNTGI-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291065;MM291065;CC1(C)CN1CC#CC#N;RCEKPZNQGYKLED-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291066;MM291066;C#CC#CCC1CC1(C)C;NBLUXQARIZNFPH-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291067;MM291067;C#CC#CCC1CC1(C)N;PWKKMLKIVRACTB-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291068;MM291068;CN=C1CN(OC)C=N1;VFJOOBKHCINMFD-UHFFFAOYSA-N;127.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291069;MM291069;C#CC#CCC1CC1(C)F;DKZRRISVGHPKBJ-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291070;MM291070;C#CC#CCC1CC1(F)F;TWMLTPKJEWIEGN-UHFFFAOYSA-N;140.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291071;MM291071;C#CC#CCC1OC1(C)C;QXHAAVVGWALTQJ-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291072;MM291072;C#CC#CCN1CC1(C)C;ISVIQBAVWXWYJU-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291073;MM291073;CCCCCC(C)CCC;IALRSQMWHFKJJA-UHFFFAOYSA-N;142.29;4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291074;MM291074;CCCC(C)CCCCN;LSFDHWHYAUSGMH-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291075;MM291075;CCCC(C)CCCCF;GPRDFWXODWJKLS-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291076;MM291076;CCCCCC(C)CCN;GLLXYAXQZYZGBM-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291077;MM291077;CC(CCN)CCCCO;FAXOYPOBDPIPDN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291078;MM291078;CC(CCN)CCCCF;ATSSQPZFDSUZNJ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291079;MM291079;CCCCCC(N)CCC;ICBKXGJJJQTUAY-UHFFFAOYSA-N;143.27;2.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291080;MM291080;CCCC(N)CCCCN;BVTYNAVVDFBATM-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291081;MM291081;CCCC(N)CCCCO;ZOVHMRBYOCZNBO-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291082;MM291082;CCCC(N)CCCCF;QFONEJWFSUZVFM-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291083;MM291083;NCCCCC(N)CCF;IWVXEIVVZBEKNH-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291084;MM291084;NC(CCF)CCCCF;AZSHFRJYFKCXEI-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291085;MM291085;C=NOC(=O)C=CC(N)=O;MBPGVCSTDMTCTE-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291086;MM291086;CCCC(O)CCCCN;FGBXVVMARDLGQU-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291087;MM291087;CC(C)=CN=C(N)C(N)=O;VQPBGPYBBLHKDJ-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291088;MM291088;CCCC(F)CCCCN;ISUFUFXJCXBEPX-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291089;MM291089;CC(=NOC(C)C)C(N)=O;IIGOOOXFYWECNZ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291090;MM291090;CCCC(F)CCCCF;ZANWCUKHNRIERH-UHFFFAOYSA-N;150.21;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291091;MM291091;NCCCCC(F)CCN;NVHCUUZMRFSZPY-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291092;MM291092;NCCCCC(F)CCO;IDYKGHNLHGROKC-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291093;MM291093;NCCCCC(F)CCF;YWNHGFZPWHBQRK-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291094;MM291094;CCC(C#N)=C(C)C(N)=O;VIVOBUXXZFJCTE-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291095;MM291095;CCCC(C)CCCNC;VHIOZMINSXYMOF-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291096;MM291096;CNCCCC(C)CCF;RNBGYRDAMDNYGP-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291097;MM291097;CCCC(N)CCCNC;UHXWFVZYHSJPJO-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291098;MM291098;CCCC(O)CCCNC;DBFAHMXFQMZXGC-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291099;MM291099;CNCCCC(F)CCF;MWQWEDVOYMDYPN-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291100;MM291100;CCCC(N)CCCOC;APJKZWLLCCSJCV-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291101;MM291101;CNCC(C)CCCCN;CICRTFYBYSSWLW-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291102;MM291102;CNCC(C)CCCCO;WATSBLOSCYEPDS-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291103;MM291103;CNCC(C)CCCCF;JRUCAYSRXGLZMS-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291104;MM291104;CNCC(N)CCCCF;TUMFKKMFOJHXSH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291105;MM291105;CNCCCC(F)CNC;QIHCWLBVVUKOIJ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291106;MM291106;CNCC(C)CCCOC;RXFBYQYCOUYRQX-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291107;MM291107;CNCC(O)CCCOC;YPWJJXQQMPTDPB-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291108;MM291108;CNCCCC(O)COC;SDOFRMGPPBBMBM-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291109;MM291109;COCCCC(O)COC;UHDOEOJAFGOUFL-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291110;MM291110;CCCC(C)CCNCC;SGPYXMVZMPYKPU-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291111;MM291111;CCNCCC(C)CCN;RGKRTQILUBZVMY-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291112;MM291112;CCCC(N)CCNCC;KVOWIIBDIDXRKK-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291113;MM291113;CCNCCC(N)CCO;JNWMJOMPTQNRPK-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291114;MM291114;CCCC(O)CCNCC;OFELNWUUGIFURX-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291115;MM291115;CCCC(F)CCNCC;IYFGDLUFLYMXIU-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291116;MM291116;CCNCCC(F)CCF;UPHONRBKMAHWMX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291117;MM291117;CCCC(N)CCOCC;GKGLOHGHTRGSRI-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291118;MM291118;CCOCCC(N)CCN;YVZDPHGHPPHXSN-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291119;MM291119;CCCC(O)CCOCC;XLVCDOVXBQMGJJ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291120;MM291120;CCOCCC(O)CCN;KFLAATDWRIECHQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291121;MM291121;CCOCCC(F)CCO;RFKYRHANGQKPBQ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291122;MM291122;CCOCCC(N)COC;UJMJELKAAHVZEV-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291123;MM291123;CCCNCC(C)CCC;YDFSGMUDOHXDBF-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291124;MM291124;CCCC(C)CNCCO;WDXSTIZIQGVXTB-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291125;MM291125;CCCC(C)CNCCF;IECLIDIYWNGJCM-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291126;MM291126;CCCNCC(C)CCN;SNFATTJULGYPCU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291127;MM291127;CC(CCO)CNCCO;PZYBKSUEVLWNKK-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291128;MM291128;CC(CCF)CNCCN;WTHACSJMAGABPD-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291129;MM291129;CCCC(N)CNCCN;PHPLJDJNKAKBRL-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291130;MM291130;CCCC(N)CNCCO;OGSPBCHXIDMZRZ-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291131;MM291131;NCCC(N)CNCCO;DXXNRDFXNNMXHE-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291132;MM291132;NCCC(N)CNCCF;GYEKLOMQCSKBDM-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291133;MM291133;CCCC(O)CNCCO;COKXDQIXGDHFHL-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291134;MM291134;NCCNCC(O)CCN;KBLSKGQOHHNGMX-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291135;MM291135;NCCC(O)CNCCO;VGZRTFNRLLLDNR-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291136;MM291136;NCCC(O)CNCCF;MJGUMUAEKXLMRL-UHFFFAOYSA-N;150.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291137;MM291137;OCCNCC(O)CCO;OIOBOAFQZVIKGV-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291138;MM291138;CCCC(F)CNCCN;VNBKFMVJJLYUPA-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291139;MM291139;CCCNCC(F)CCF;LVTFUDSRJDUBND-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291140;MM291140;OCCNCC(F)CCF;HKSOVJURZYKYSZ-UHFFFAOYSA-N;153.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291141;MM291141;CCCNCC(C)CNC;QOEUOWIHUBVIII-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291142;MM291142;CNCC(C)CNCCN;LGVYQJXRCGLCRA-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291143;MM291143;CNCC(N)CNCCO;KCYIBODGLRPWKZ-UHFFFAOYSA-N;147.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291144;MM291144;CNCC(O)CNCCN;VHNSBZPBHKNFGP-UHFFFAOYSA-N;147.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291145;MM291145;CNCC(O)CNCCO;GVBWPYNWZPYASF-UHFFFAOYSA-N;148.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291146;MM291146;COCC(C)CNCCN;ZSYNEDBDWZABGV-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291147;MM291147;COCC(C)CNCCO;UNCJNJMCFRMQOK-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291148;MM291148;CCCC(C)COCCN;UAFSDCRYAYJGQL-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291149;MM291149;CCCOCC(N)CCC;QUAIRCPARGMHHP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291150;MM291150;NCCC(N)COCCO;AXLHHYKWHZFNHI-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291151;MM291151;NCCC(N)COCCF;XCSBCUQQUQQTKA-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291152;MM291152;CCCOCC(O)CCC;UVSKAZAWMVGOKD-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291153;MM291153;CCCC(O)COCCF;CNQTZBALELURJA-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291154;MM291154;NCCC(O)COCCO;LLNOMYZVJAMYNZ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291155;MM291155;NCCOCC(O)CCO;CRLRBUYCINKFQP-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291156;MM291156;OCCOCC(O)CCO;DPLJDNUOLSQGHU-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291157;MM291157;OCCC(O)COCCF;KBOQJLFLVAZPND-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291158;MM291158;CCCC(F)COCCN;PLYZPHXRRRVZAI-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291159;MM291159;CCCC(F)COCCO;RHSUIYMIMLKFJF-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291160;MM291160;CCCOCC(F)CCN;VELZDSQGSRVJKG-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291161;MM291161;NCCOCC(F)CCF;PEEUORBUWFCSDI-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291162;MM291162;COCOCC(C)CCN;GURRCIJKYZZFDX-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291163;MM291163;COCOCC(C)CCF;CCCWROOJILEFPW-UHFFFAOYSA-N;150.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291164;MM291164;CCCC(N)COCOC;QUGRVHNBRNWPQN-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291165;MM291165;COCOCC(N)CCN;UONBOONFKPSORL-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291166;MM291166;COCOCC(O)CCN;KKSGLCFHPJOGIK-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291167;MM291167;CCCC(F)COCOC;KIKZYLJFXCRSCP-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291168;MM291168;COCOCC(F)CCN;PLTDIZPSKPNIRC-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291169;MM291169;COCOCC(F)CCF;XQIZRSSSSMOUFN-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291170;MM291170;CNCC(C)COCCO;IIXMVNDDKIVSPQ-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291171;MM291171;CNCC(O)COCCN;MOTKEJVAGCCWEA-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291172;MM291172;CNCC(O)COCCO;UZMAJQCKBYRHNQ-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291173;MM291173;CNCC(F)COCCO;FHQNUBYWCBYYKE-UHFFFAOYSA-N;151.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291174;MM291174;CNCC(F)COCOC;KYTSFUSIPKISAZ-UHFFFAOYSA-N;151.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291175;MM291175;COCC(O)COCCN;XRCBZRMRDYLMTF-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291176;MM291176;COCC(O)COCCO;ZEZIMNLFDYOGPI-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291177;MM291177;COCC(O)COCCF;BYHIKHOTFXLPPF-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291178;MM291178;COCC(F)COCCO;GALWFPOJKRUHME-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291179;MM291179;COCOCC(N)COC;UQJGGZIYOSXIRL-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291180;MM291180;CCNC(C)CCCNC;KCPLLWLNWJXQEZ-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291181;MM291181;CCNC(C)CCOCC;YOBQCSCFGAWTOX-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291182;MM291182;CCNC(C)CNCCO;BSGKFIXAAZXNKG-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291183;MM291183;CCNC(C)COCCO;UTKFAJOXLYVPNQ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291184;MM291184;CCNCCC(C)OCC;LZGVQPFNIQDTFK-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291185;MM291185;CCOCCC(C)OCC;XTNPAQFRASOUHK-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291186;MM291186;CCCNCC(C)OCC;QAVGKDWUKBNWEA-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291187;MM291187;CCOC(C)CNCCO;TUVMJDQVDOBJCC-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291188;MM291188;CCCOCC(C)OCC;AKZBGFHPPUISGB-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291189;MM291189;CCCC(C)NCCCN;AYTJXMVXSTXBEN-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291190;MM291190;CCCC(C)NCCCO;BABFRBCLCKFQNF-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291191;MM291191;CCCC(C)NCCCF;DEYJXGNPGDNOTJ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291192;MM291192;CC(CCF)NCCCN;CUPHLEHWAVWIGN-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291193;MM291193;CCCC(C)NCCNC;FSZFWYUMYSQHIY-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291194;MM291194;CNCCNC(C)CCF;NAPJGXLDQQRCTL-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291195;MM291195;CCCCNC(C)CNC;WLHQQYZPLRWNPA-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291196;MM291196;CNCC(C)NCCOC;PAVQPGLOZDTWKS-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291197;MM291197;CCCCOC(C)CCC;PSYBYBKGIJCLDM-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291198;MM291198;CCCC(C)OCCCO;QQPOIMJMIRKTQO-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291199;MM291199;CC(CCN)OCCCO;UBHPJBOVMGVRBO-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291200;MM291200;CC(CCO)OCCCN;AVIWFSXQCHUJCI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291201;MM291201;CC(CCF)OCCCN;LCJKBCOYLGQPKQ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291202;MM291202;CNCCOC(C)CCO;ZVILFWXPLANULG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291203;MM291203;CNCC(C)OCCCN;OUMGDUDHOFTERH-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291204;MM291204;CNCCOC(C)CNC;PPTCXKYUTVEISX-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291205;MM291205;CCCC(C)OCOCC;PPIKCXJXLISMFX-UHFFFAOYSA-N;146.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291206;MM291206;CCOC(C)OCCNC;JSTAOFNCPHNJOX-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291207;MM291207;CCOC(C)OCCOC;GINQMDNORSUABQ-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291208;MM291208;CCCCCN(C)CCC;OOVHIYXQHWBXPE-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291209;MM291209;CCCN(C)CCCCN;XFZLRRPUTKCIIY-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291210;MM291210;CCCN(C)CCCCO;PMJTYMHZPIYUNH-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291211;MM291211;CCCCCN(C)CCN;XRACCDCZKQVERE-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291212;MM291212;CCCCCN(C)CCO;ANQIZYLISJEMTG-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291213;MM291213;CCCN(C)CCCNC;OODCFTPZACBAJP-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291214;MM291214;COCCCN(C)CCN;QJQMXWCURXPEDN-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291215;MM291215;CCCN(C)CCNCC;XXEFQXVRUXNVIK-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291216;MM291216;CCNCCN(C)CCN;BVHWVMNUSKPVDI-UHFFFAOYSA-N;145.25;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291217;MM291217;CCCN(C)CCOCC;WINMMVFOPLDHOL-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291218;MM291218;C=CCCCC(C)CCC;FYNYJDQJWSBMAS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291219;MM291219;CCCC(C)CCCC=O;BTHILDIHNZCUCY-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291220;MM291220;C=CCCCC(C)CCN;HNSOZHKSYIXAMO-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291221;MM291221;C=CCCCC(N)CCC;OUKIAFPLQCHYMC-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291222;MM291222;C=CCCCC(N)CCF;MHSVFVXELNLIPM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291223;MM291223;CCC=CN=C(N)C(N)=O;OBCOVLDIYPELCD-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291224;MM291224;C=C(CC#N)C(=C)C(N)=O;LOSGPOZWGTWOIB-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291225;MM291225;CCN(C)N(C)C(=O)NC;ZYMWYKSGWUDAIJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291226;MM291226;O=CCCCC(O)CCO;QHCZPDCCYKIUOF-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291227;MM291227;C=CCCCC(F)CCC;IHZHKNZBTMPDTG-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291228;MM291228;CCCC(F)CCCC=O;ZIKXLGOTSOCTSY-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291229;MM291229;O=CCCCC(F)CCF;OEPANHGCXHQEGB-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291230;MM291230;C=CCCCC(N)CNC;SBYVGBGEFMZBCR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291231;MM291231;CNCC(F)CCCC=O;HGDJQOBICPZONV-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291232;MM291232;CNCC(F)CCCC#N;VKXFAOGLAGMJDQ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291233;MM291233;C=CCCCC(C)COC;UWIBFYYYILZOJH-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291234;MM291234;N=CNCCC(O)CCN;AYFNBJHDEDATJG-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291235;MM291235;N=CNCCC(O)CCO;QNEQCZJORDGZAC-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291236;MM291236;O=CNCCC(O)CCO;KZEBWAGYTWXDEP-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291237;MM291237;CCCC(F)CCNC=N;VEZCPZLKVWBPRM-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291238;MM291238;NN(C=O)C(=O)COC=O;CXDXQZJRVZOLMR-UHFFFAOYSA-N;146.1;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291239;MM291239;C=NNCCC(C)CCC;WICNRFHMFQLODW-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291240;MM291240;C=NNC(C=O)CNC=O;GHRNYMRDARUKJH-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291241;MM291241;CCN=NC(=CNO)NN;KYKLDZPPIRADET-UHFFFAOYSA-N;145.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291242;MM291242;CC=C(C#CC=NN)CO;UQCIJAFLQHESTP-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291243;MM291243;C=NNCCC(F)CCF;GDLFNOQOZNZPFV-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291244;MM291244;CNCC(C)CCNC=N;NHNWJIPMJNTVDV-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291245;MM291245;CNCC(N)CCNC=O;GTRNQSCKRKBBSJ-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291246;MM291246;C=NNCCC(O)CNC;ONDWFCDFWNDADH-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291247;MM291247;COCC(F)CCNC=N;AFFWFNXDVYCQLX-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291248;MM291248;C=NNCCC(C)COC;HOKLCINGSOUIFA-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291249;MM291249;C=COCCC(C)CCC;HYAMVTKUKONJCH-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291250;MM291250;CC(CCN)CCOC=O;IMILAXRBOSTYFL-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291251;MM291251;CCCC(N)CCOC=O;PYUKRPHXBLGUKA-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291252;MM291252;CCCC(O)CCOC=O;ISMFLXDVIRRBDO-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291253;MM291253;C=COCCC(O)CCO;BCZKLZGAYKEWSG-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291254;MM291254;O=COCCC(O)CCF;XYHCSHCMCBBGCU-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291255;MM291255;CCCC(F)CCOC=O;FZZGFMPVHQZHQS-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291256;MM291256;O=COCCC(F)CCF;QBOVUKQRMVBPMQ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291257;MM291257;C=NOCCC(N)CCN;FYYVVBZYJBDOMN-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291258;MM291258;C=NOCCC(F)CCC;VVRFZDVUQIAKJF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291259;MM291259;C=COCCC(O)CNC;BQOIFCIVVSARCG-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291260;MM291260;C=NOCCC(C)CNC;ONZNVANFYUGOBI-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291261;MM291261;COCC(O)CCOC=O;JMPMZXOUTFCKGA-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291262;MM291262;C=CCNCC(C)CCC;FPSVCHZBJFMGCP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291263;MM291263;C=CCNCC(C)CCN;QGQNFDDJIZELGR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291264;MM291264;C=CCNCC(C)CCO;CHFSDTHOBLVKQL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291265;MM291265;CC(CCO)CNCC=O;SCTACPNIYWPJQF-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291266;MM291266;CN=C(C=O)C(F)=CNO;BTDVQNGVSNEBMP-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291267;MM291267;C=CCNCC(C)CCF;KZCPFHYFOSDZNC-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291268;MM291268;C=CCNCC(N)CCN;DICUZXYJWZWUMS-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291269;MM291269;C=CCNCC(O)CCC;XRZVDFTYPFLVSC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291270;MM291270;N#CCNCC(F)CCF;ATPIQTNQLVXGCQ-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291271;MM291271;CNCC(C)CNCC=O;YKWRQLQNGMSVNQ-UHFFFAOYSA-N;144.22;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291272;MM291272;CNCC(C)CNCC#N;IENLSKSPZQLEHV-UHFFFAOYSA-N;141.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291273;MM291273;C=CCNCC(O)CNC;CWPYMLDNVUSUEX-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291274;MM291274;CNCC(O)CNCC=O;YNRYSZZYOZWCHV-UHFFFAOYSA-N;146.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291275;MM291275;CNCC(O)CNCC#N;FPBMEVJQBKWQOU-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291276;MM291276;C=CCNCC(F)CNC;PJGGFUIHEUAGQG-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291277;MM291277;C=CCNCC(N)COC;KQXWLUKAWJYBPZ-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291278;MM291278;C=CCNCC(O)COC;RCHAIJSJLZDEEE-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291279;MM291279;COCC(F)CNCC#N;UMDIAIFMOHNBHS-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291280;MM291280;CCCC(C)CNNC=N;RMBYHUAELXXCJZ-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291281;MM291281;CCN=C1CN(OC)C=N1;YNMFJGLDBQQSKV-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291282;MM291282;CCCC(N)CNNC=N;NBLBGJGLERUEIG-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291283;MM291283;CCCC(N)CNNC=O;FJFKJITXJQPDIR-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291284;MM291284;C#CC(=CC)C(N)=O;FWMYETWWMAQLNO-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291285;MM291285;CCCC(F)=CC(N)=O;UWTNOVFXXNATRM-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291286;MM291286;N=CNNCC(F)CCN;LFNJXHHCRSSCKK-UHFFFAOYSA-N;148.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291287;MM291287;CNCC(C)CNNC=N;VGRKKRPAVJTTLQ-UHFFFAOYSA-N;144.22;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291288;MM291288;CNCC(C)CNNC=O;ZXYLXBOZEZMWLJ-UHFFFAOYSA-N;145.21;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291289;MM291289;O=CNCC1(C=O)CN1;AJIQHMYUAGASQR-UHFFFAOYSA-N;128.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291290;MM291290;C=CCOCC(C)CCC;QNOOFRBXZRIZAY-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291291;MM291291;CCCC(C)COCC#N;HWILAQHCWGYSFC-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291292;MM291292;C=CCOCC(C)CCN;SPOGENUTRMTGFO-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291293;MM291293;C=CCOCC(O)CCC;NGAFTIZAVGGADM-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291294;MM291294;CCCC(O)COCC=O;VETPKXXCJOEIDR-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291295;MM291295;C=CCOCC(O)CCN;ARQJHYGFOMEVBJ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291296;MM291296;N#CCOCC(O)CCO;SKQXGLASZMCFCR-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291297;MM291297;C=CCOCC(F)CCC;AMMFJZKTNMDFQB-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291298;MM291298;C=CCOCC(O)CNC;GVUKYWNSUGHMHQ-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291299;MM291299;CNCC(O)COCC#N;LOWKHDDOYCLIHB-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291300;MM291300;C=CCOCC(N)COC;AJNONCOCNSGZJS-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291301;MM291301;COCC(O)COCC=O;ZGEJEJIPODXHHI-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291302;MM291302;CCCC(C)CONC=O;VFJNHARFFQMDIP-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291303;MM291303;CC(CCN)CONC=N;VMWXRZBULVWRMK-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291304;MM291304;CC(CCO)CONC=N;GAKFJLRUFYIMLZ-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291305;MM291305;CC(CCO)CONC=O;QETNVXCCNJMVRQ-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291306;MM291306;CCCC(N)CONC=N;UBOFSXTTWDNRQA-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291307;MM291307;CCCC(N)CONC=O;CTNLNERWOSZGLZ-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291308;MM291308;CCCC(O)CONC=N;HWKSWBXLLPNCKA-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291309;MM291309;CCCC(F)CONC=N;XMXMJEZWKXRHJF-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291310;MM291310;COCC(C)CONC=O;DJMVPINQINUCAK-UHFFFAOYSA-N;147.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291311;MM291311;COCC(N)CONC=N;GYOYJAPGKQWGGD-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291312;MM291312;COCC(O)CONC=O;OXTHZYBVADKPIC-UHFFFAOYSA-N;149.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291313;MM291313;C=NNCCC(C)NCC;AQDIDZVPIMHRQT-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291314;MM291314;C=CCNCC(C)NCC;FYKHHOGJDFVUIA-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291315;MM291315;CCNC(C)CNCC#N;MSDKIRRDKPCOGX-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291316;MM291316;CCNC(C)CONC=O;XPNADNKSTNQOPH-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291317;MM291317;CCOC(C)CCNC=N;ROUHBUCRPLWKJF-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291318;MM291318;C=NNCCC(C)OCC;FYEYPDZNAGIQCT-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291319;MM291319;CCOC(C)CNCC#N;MWGZIZFSGACYSM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291320;MM291320;C=C(C(N)=O)C(C)(C)C#N;AQKIEYKVEAMWBV-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291321;MM291321;CCOC(C)COCC=O;WTMULXXLEHUDDR-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291322;MM291322;C=CCCNC(C)CCC;UTIQBUMRNHHZDD-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291323;MM291323;C=CCCNC(C)CCN;SYOSOYIXXBMQIZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291324;MM291324;C=CCCNC(C)CCO;OZXXAOCVXFFCIV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291325;MM291325;C=CCCNC(C)CCF;UELHJCYFUOQPEU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291326;MM291326;C=CCCNC(C)CNC;RLCSLCHWIPORGY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291327;MM291327;CC(CCF)OCCC=O;LHHVLQHZLSNICG-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291328;MM291328;NC(=O)CN(N)C=NC=O;FOOGVSOAGFXVDH-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291329;MM291329;CCOC(C)OCCC#N;NPUYXDDVMGPWJP-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291330;MM291330;CCOC(C)OCOC=O;UMZROVPYVJFQBA-UHFFFAOYSA-N;148.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291331;MM291331;CCCN(C)CCCC=O;SHNFOCNNMPRFIX-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291332;MM291332;CCCN(C)CCCC#N;PMRZSEYAFZLGIL-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291333;MM291333;C=CCCCN(C)CCN;XORRCSOVOXTSJN-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291334;MM291334;CN(CCN)CCNC=O;AMBDOIRNRITVKI-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291335;MM291335;C=NNCCN(C)CCF;YUSWDXFPEUAVII-UHFFFAOYSA-N;147.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291336;MM291336;C=COCCN(C)CCC;OHLDPIKYTYMAGY-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291337;MM291337;C=COCCN(C)CCN;WSJMRCOOZOQEGQ-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291338;MM291338;C=NOCCN(C)CCN;WTCYVBITTWQEEX-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291339;MM291339;C#CCCCC(C)CCC;YJRGOJIYQTZELS-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291340;MM291340;C#CCCCC(C)CCN;NXBMHXUEJFJKHT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291341;MM291341;C#CCCCC(N)CCF;XHKQYNLSGFPJHC-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291342;MM291342;CC(C#CCF)=CC(N)=O;ZCJYWCPKMIZYBS-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291343;MM291343;C#CCCCC(F)CCC;QZSHHTZNSLGEOT-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291344;MM291344;C#CCCCC(F)CCF;QJMOTMAOKMWGJV-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291345;MM291345;C#CCCCC(C)CNC;OYWXLSTVFJJAAR-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291346;MM291346;C#CCCCC(F)CNC;GTYFQOPKSSJUMN-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291347;MM291347;C#CCCCC(C)COC;UHOIHHMLAFCFQO-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291348;MM291348;C#CCNCC(C)CCO;QZGXUEDEVJSWNQ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291349;MM291349;C#CCNCC(O)CCC;HPFHQNMPRDYFCN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291350;MM291350;C#CCNCC(O)CCN;WRTAMZYDXXATQK-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291351;MM291351;C#CCNCC(O)CCO;GWGFAYWRGPCKKY-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291352;MM291352;C#CCNCC(F)CCN;HBWIHTKFWBWBTD-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291353;MM291353;C#CCNCC(O)CNC;QFWZSDNQVFWOOS-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291354;MM291354;C#CCOCC(N)CCC;PEJZYHGIOABNEY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291355;MM291355;C#CCOCC(N)CCN;CLEBSATVIKSXOQ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291356;MM291356;C#CCOCC(O)CCO;QRWQQRYNYBTRAX-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291357;MM291357;C#CCOCC(O)CCF;MRHMGALMXZAYQP-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291358;MM291358;C#CCOCC(F)CCC;SUAOGQJZTUDCPN-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291359;MM291359;C#CCOCC(C)CNC;WHNFYTCHDIGSKH-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291360;MM291360;C#CCOCC(O)CNC;HGMRCPQSPOALIZ-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291361;MM291361;C#CCOCC(F)CNC;OUINZOSXGNMWOU-UHFFFAOYSA-N;145.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291362;MM291362;C#CCOCC(N)COC;ZAJKDPWMKNPAGM-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291363;MM291363;C#CCOCC(O)COC;ROCPGFWZWGEGLB-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291364;MM291364;C#CCCNC(C)CCF;FEYFNHWRVFBYGX-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291365;MM291365;C#CCCNC(C)CNC;ONLDHGLPDGQKIR-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291366;MM291366;C#CCCNC(C)COC;CLRMTCAOFMPVSH-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291367;MM291367;C#CCCOC(C)CCN;BZTGJGNFIIFNSC-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291368;MM291368;C#CCCOC(C)CNC;ODKWYUVRNGURKD-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291369;MM291369;C#CCCCN(C)CCN;PLDIOLCAMMLIKA-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291370;MM291370;C=CCC(C)CCCCC;YEVQUWXFUMHLLE-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291371;MM291371;C#CC(C)CN(N)C(N)=O;KLYDXRAOZPHXIV-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291372;MM291372;C=CCC(C)CCCCF;TUTAPNKOPSCRSX-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291373;MM291373;CCCCCC(C)CC#N;BEEDZKVDQYSTPC-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291374;MM291374;C=C(C=NN)OCC(N)=O;HQSIZTZMYKGCFM-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291375;MM291375;CC(CC#N)CCCCF;WTWZSAURGMFKAY-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291376;MM291376;C=CCC(N)CCCCC;YOUHNXUWYUIEOQ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291377;MM291377;C=CCC(N)CCCCN;CCXOLUPBUUWREB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291378;MM291378;C=CCC(N)CCCCO;SLVPMMKETRRFIN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291379;MM291379;C=CCC(N)CCCCF;FRJNTJIPWPTFOV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291380;MM291380;C=C(C(N)=O)C(C)=CC#N;KOXVGGQGWRJAEX-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291381;MM291381;CCCCCC(O)CC#N;CNXAYZCPQRIELB-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291382;MM291382;N#CCC(O)CCCCO;NWQHOSJHIBECAC-UHFFFAOYSA-N;143.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291383;MM291383;CCCCCC(F)CC#N;OCNFNMXJQKVQKZ-UHFFFAOYSA-N;143.21;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291384;MM291384;O=CCC(F)CCCCF;CWQIKJIIVUCXLE-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291385;MM291385;CNCCCC(C)CC=O;QRRGVXXCCUUPAX-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291386;MM291386;CNCCCC(C)CC#N;NXKOJHLETKQRMD-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291387;MM291387;C=CCC(N)CCCNC;HCPUJJSZZYWQPF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291388;MM291388;C=CCC(F)CCCNC;GMGMFGAIYZWCCY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291389;MM291389;COCCCC(C)CC#N;CTOAKVUVHMROBV-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291390;MM291390;C=CCC(C)CCNCC;BVTARFLOOYNNQK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291391;MM291391;CCNCCC(C)CC=O;KKAPSLPAEFBMPT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291392;MM291392;CCNCCC(C)CC#N;URFGFDNWDLTFDO-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291393;MM291393;CCNCCC(F)CC=O;BDQUSNLJJNLSKH-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291394;MM291394;C=CCC(C)CCOCC;MLLAIZIZBYXEKP-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291395;MM291395;CCOCCC(C)CC=O;DFLNFKWPOAQSQM-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291396;MM291396;CCOCCC(C)CC#N;IPGDLXFBISISON-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291397;MM291397;C=CCC(N)CCOCC;NRDXVCIQCOWRNJ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291398;MM291398;C=CCC(O)CCOCC;OOWXCYPKTUNDPA-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291399;MM291399;CCOCCC(O)CC#N;RRANWXIMRZUTHY-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291400;MM291400;CCOCCC(F)CC=O;NKHCZPIQBFMSCP-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291401;MM291401;C=CCC(C)CNCCC;VSASTJGSVSCRAF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291402;MM291402;C=CCC(C)CNCCO;CMZYHGYDMXFTEL-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291403;MM291403;CCCNCC(C)CC=O;MRUTXBIUOHKSOS-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291404;MM291404;CCCNCC(C)CC#N;NTYIGVSXJUFELS-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291405;MM291405;CC(CC=O)CNCCO;AQNVLDDMQSGCPU-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291406;MM291406;CC(CC#N)CNCCO;WXMPUGHVCJVRDV-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291407;MM291407;CC(CC=O)CNCCF;LGJXZDSGVQQGRK-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291408;MM291408;C=CCC(N)CNCCC;AVOHHXQTBFSRMC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291409;MM291409;C=CCC(N)CNCCO;FFRFGGYWDRVFSE-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291410;MM291410;CCCNCC(O)CC=O;BIWNJPZEEHKDTQ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291411;MM291411;C=CCC(F)CNCCO;VMSBYBPYZVNWBT-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291412;MM291412;CCCNCC(F)CC=O;KMOUEBVWIFMFMH-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291413;MM291413;C=CCC(C)COCCC;CZXYXSVNDKAITR-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291414;MM291414;C=CCC(C)COCCN;FDGGDHNFGZSOFO-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291415;MM291415;C=CCC(C)COCCO;OMALWPNDXLUUCD-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291416;MM291416;C=CCC(C)COCCF;RNIYFJDUFQJHHW-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291417;MM291417;CCCOCC(C)CC#N;CXHPEMWDTVVLCF-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291418;MM291418;CC(CC=O)COCCF;KCGPALQAXNOYIN-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291419;MM291419;CC(CC#N)COCCF;BYRKZMIIRBVSDZ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291420;MM291420;C=CCC(N)COCCC;GCLSJDDCNDKBPQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291421;MM291421;C=CCC(N)COCCO;ZWVGQWGTAGNPEE-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291422;MM291422;C=CCC(O)COCCN;HKLCFIWEVMCVMD-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291423;MM291423;C=CCC(O)COCCO;LNIHZZZCHKTVPM-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291424;MM291424;CCCOCC(O)CC#N;ORWCHMQGISFARO-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291425;MM291425;N#CCC(O)COCCO;FOUZRHOPWYWIOO-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291426;MM291426;N#CCC(O)COCCF;FLMOEPHZHLOBEW-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291427;MM291427;C=CCC(F)COCCC;OJTCMTBTDVYJKI-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291428;MM291428;C=CCC(F)COCCN;DTOBRFVYRJKYAF-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291429;MM291429;C=CCC(F)COCCO;WJJSWCXBIPWKTC-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291430;MM291430;N#CCC(F)COCCO;FCIGHHHYOGLREO-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291431;MM291431;C=CCC(C)COCOC;BQRVNEAHKXQZTB-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291432;MM291432;COCOCC(C)CC=O;YKVLMEROYMMBHT-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291433;MM291433;COCOCC(C)CC#N;RPXSITFLTQOPSN-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291434;MM291434;C=CCC(O)COCOC;FTVVNZBFKADXJV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291435;MM291435;C=CCC(F)COCOC;HYJOYBGBAOXBQK-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291436;MM291436;COCOCC(F)CC=O;HEOYNKNQRZDSQE-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291437;MM291437;CNCCCC(C)NC=N;HABPWSRDWUYXIT-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291438;MM291438;C=NNC(C)CCCCC;QIDGQOKRIMKBQL-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291439;MM291439;C=NNC(C)CCCCN;ZAXMHRVPVXKMJN-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291440;MM291440;CN=NC(=CNO)C(C)=O;YYRTWNHPZSWMIX-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291441;MM291441;C=NNC(C)CCCOC;KUFJFHRXEDFEGY-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291442;MM291442;C=NNC(C)CCNCC;UYUCNQYOYWOHSC-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291443;MM291443;CCOCCC(C)NC=N;MFCLASRKENOYAC-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291444;MM291444;C=NNC(C)CCOCC;NTIKHMRAADJZGC-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291445;MM291445;CC(CNCCN)NC=N;PQYDFJCHCSNAEU-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291446;MM291446;CC(CNCCF)NC=N;MFXCQTBPEPZIHM-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291447;MM291447;C=NNC(C)CNCCC;MCPTXNVUMIFDSI-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291448;MM291448;C=NNC(C)CNCCN;OIFFDWYQGMGBTC-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291449;MM291449;CCCOCC(C)NC=N;VDNLMNFMDSYFEU-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291450;MM291450;CC(COCCN)NC=N;UINZZEHDXLFHFD-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291451;MM291451;CC(COCCF)NC=N;UZLIMMHDXYAJGQ-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291452;MM291452;CC(COCCN)NC=O;HQFUTIOQGGJTMM-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291453;MM291453;C=NNC(C)COCCN;MEXUCZKANBVCNP-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291454;MM291454;C=NNC(C)COCOC;FAQMCJVXPSJBTI-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291455;MM291455;C=COC(C)CCCCN;YWPZGOMPXCWFNP-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291456;MM291456;C#CC(N)=C(C)C(=O)NC;DGEOGDOWYIJGSL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291457;MM291457;C=COC(C)CCCNC;XHLZSMSSJKITIK-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291458;MM291458;C=COC(C)CCNCC;ZPDFDTWQKSZDLN-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291459;MM291459;CCNCCC(C)OC=O;OVWLLFRBACDZGK-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291460;MM291460;C=COC(C)CCOCC;DAQBCEKPXYUCJA-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291461;MM291461;C=COC(C)CNCCC;VIEFOJKNWAOAIY-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291462;MM291462;C=COC(C)CNCCN;PIXLSPORDZKAJJ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291463;MM291463;CC(CNCCO)OC=O;DIOWCSWZKXGEEQ-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291464;MM291464;C=COC(C)COCCN;BVXHNSCECZKXSL-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291465;MM291465;C=COC(C)COCCO;RZSHRJWMRPVQMX-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291466;MM291466;CC(COCCN)OC=O;WEGPDTFLNVHYHZ-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291467;MM291467;CC(COCCO)OC=O;JPVCRVOVDJXQHA-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291468;MM291468;COCOCC(C)OC=O;AOYRJPVTVYWZPJ-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291469;MM291469;C=CCC(C)NCCCC;UENILBWFNIVHGH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291470;MM291470;C=CCC(C)NCCCN;XONZLEPWXPSBFV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291471;MM291471;C=CCC(C)NCCCO;BBRUXAJWENUGDE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291472;MM291472;C=CCC(C)NCCCF;NXYVEKLINDVHNK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291473;MM291473;CC(CC=O)NCCCO;KYRACBHILJQCQN-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291474;MM291474;CC(CC=O)NCCCF;BHKRRMRTRNOPDS-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291475;MM291475;C=CCC(C)NCCNC;AUCQULVMCSCQGB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291476;MM291476;CNCCNC(C)CC=O;YLQNKDRUSFANHR-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291477;MM291477;C=CCC(C)OCCCC;OHSBPEFUBVGOFP-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291478;MM291478;C=CCC(C)OCCCN;QBTLYWWIAICVEX-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291479;MM291479;C=CCC(C)OCCCO;KWYLTAKUJOJBDY-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291480;MM291480;C=CCC(C)OCCOC;IRBQPFLYOUILOA-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291481;MM291481;C=CCC(C)OCOCC;UCMXDEMBYHDBMN-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291482;MM291482;C=COC(C)OCCCO;PPDIAERNZPAYEU-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291483;MM291483;C=COC(C)OCCNC;QSYXRQLCUUYHHJ-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291484;MM291484;C=COC(C)OCCOC;AFBQLONJBLCNPB-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291485;MM291485;C=CCN(C)CCCCC;KQXVIVPHWBKMPC-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291486;MM291486;C=CCN(C)CCCCN;CLNFWYZNUZHPII-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291487;MM291487;C=CCN(C)CCCNC;DRUNQIDQIJCZIA-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291488;MM291488;C=CCN(C)CCNCC;BLFGTCLYARJDIH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291489;MM291489;CCNCCN(C)CC#N;VBHOXCXGWMRZRC-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291490;MM291490;C=CCN(C)CCOCC;NSFDWUZOSJCMMO-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291491;MM291491;CCOCCN(C)CC#N;XSXADTPGMNKPQP-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291492;MM291492;CCCCCN(C)NC=N;FJQSLXVFMLFJBE-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291493;MM291493;C#CCCN(NC)C(N)=O;SMMVOIOIJVJXLS-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291494;MM291494;CN(CCCCN)NC=O;LDUDOOINRGOKMZ-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291495;MM291495;CNCCCN(C)NC=N;NQPOKFAVOARRSH-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291496;MM291496;CCOCCN(C)NC=O;QMTXJVISJGIVDD-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291497;MM291497;C=CCCCC(C)CC=C;LPZRGBXGNZOPFO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291498;MM291498;C=CCC(C)CCCC#N;FOVADCGTMBHAMJ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291499;MM291499;C=CCCCC(C)CC=O;WJEYIRUETSCEBF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291500;MM291500;CC(CC#N)CCCC=O;IQMKYCYHMKWJCX-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291501;MM291501;CC(CC#N)CCCC#N;XWKHZCJVMBUPDS-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291502;MM291502;C=CCCCC(N)CC=C;YHTOWJXKRAVORN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291503;MM291503;C=CC#CC1NC1C(N)=O;ABVSRCHETIGHHS-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291504;MM291504;C=CCCCC(O)CC#N;QFCSIZBLNZKCHT-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291505;MM291505;N#CCC(O)CCCC=O;VHCFNLDHHZBQST-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291506;MM291506;C=CCCCC(F)CC=C;LKLFNPVCAMCJSV-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291507;MM291507;C=CCC(F)CCCC=O;YCVIFNRUNRXNQU-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291508;MM291508;C=CCCCC(F)CC=O;FVSIVDJUJPCKHF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291509;MM291509;O=CCCCC(F)CC=O;VADAEPOYURFXPQ-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291510;MM291510;C=CCC(C)CCNC=N;QOEJGNUJXQGOJD-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291511;MM291511;CC(CC=O)CCN=CN;OOPGEOBXOMBNEC-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291512;MM291512;N#CCC(O)CCNC=N;ZVAMVFCQABPDIQ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291513;MM291513;C=CCC(C)CCNN=C;SQCLTBQJRIROCX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291514;MM291514;C=CCC(C)CCOC=O;DZEHQEBMXZHTGH-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291515;MM291515;C=COCCC(C)CC=O;DBTQZBRMHJSRCU-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291516;MM291516;C=COCCC(C)CC#N;RBHKTZQHRZTZDI-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291517;MM291517;CC(CC=O)CCOC=O;XAEDSGVMDVGVNH-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291518;MM291518;CC(CC#N)CCOC=O;JDCNVRSERHTIRQ-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291519;MM291519;C=COCCC(O)CC#N;IEPICGSCUWPFGW-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291520;MM291520;C=COCCC(F)CC=O;ZHMZRTJUSGSIGU-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291521;MM291521;C=NOCCC(C)CC#N;PSCPZQAVJLSOAL-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291522;MM291522;C=CCC(F)CCON=C;VHLKOQPSQMDKMH-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291523;MM291523;C=CCNCC(C)CC=C;BLZNRHWZBQUSIQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291524;MM291524;C=CCC(C)CNCC=O;HSJDMAYAGJPYEY-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291525;MM291525;C=CCC(C)CNCC#N;ZSDUBPSUIKBTAL-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291526;MM291526;C=CCNCC(C)CC=O;NPAKNMDHXDKTPB-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291527;MM291527;C=CCNCC(C)CC#N;DYDSHPBKXOIECM-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291528;MM291528;C=CCNCC(N)CC=C;RJPWVTKJLGROKJ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291529;MM291529;C=CCNCC(O)CC=C;XSDJHAINBHHKTF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291530;MM291530;Nc1cc(N)[nH]n1;KGBBJPZIDRELDP-UHFFFAOYSA-N;98.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291531;MM291531;C=CCC(F)CNCC#N;SFEBYRJAWYTGSD-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291532;MM291532;CCc1cn[nH]c1;IHNXHUNMFYXQCG-UHFFFAOYSA-N;96.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291533;MM291533;C=CCC(N)CNNC=N;PXPOZJAASXZKGN-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291534;MM291534;N#CCC(O)CNNC=N;QUKFJANCUCYEPV-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291535;MM291535;Cn1nc(N)nc1N;REFNCKLJAUXDRN-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291536;MM291536;C=CCOCC(C)CC=C;BEQWJPALRSPRII-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291537;MM291537;C=CCC(C)COCC=O;JVCHQTXQTWQNNX-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291538;MM291538;C=CCC(C)COCC#N;GAUPKFZWYHVJHX-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291539;MM291539;C=CCOCC(C)CC=O;SPSQINYEIKGFQB-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291540;MM291540;C=CCOCC(C)CC#N;BWCDZFWCXYSYRU-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291541;MM291541;CC(CC=O)COCC#N;NKMALRVPUVVEMS-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291542;MM291542;CC(CC#N)COCC=O;XPNKQLACFRPHAQ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291543;MM291543;C=CCOCC(O)CC=C;VVAQMBOFGIHFJY-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291544;MM291544;C=CCOCC(O)CC=O;SSOKLBAXXLRUTK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291545;MM291545;N#CCOCC(O)CC=O;BYGVPZINUDJIQB-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291546;MM291546;C=CCC(F)COCC=O;WKXLYTCEILREHT-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291547;MM291547;C=CCC(F)COCC#N;OVBHNFTZRCUOQE-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291548;MM291548;C=CCOCC(F)CC#N;VTDGQZOLUGZEII-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291549;MM291549;C=CCC(C)CONC=N;WYYUZPIRRNSIIL-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291550;MM291550;C=CCC(C)CONC=O;JRGLTVNGHJCQNJ-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291551;MM291551;CC(CC#N)CONC=N;QCTNHZHQNPXHHL-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291552;MM291552;CC(CC=O)CONC=O;OUZBXMYRXCUZHJ-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291553;MM291553;C=CCC(N)CONC=O;IAQPIAKJLDSNFX-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291554;MM291554;C=CCC(O)CONC=N;VJSLCGYOQAMCLF-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291555;MM291555;C=CCCCC(C)NC=N;WZHXPNVAXAXMGG-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291556;MM291556;C=CC(=O)NCC(C)F;XZPIVFYSIZKCSL-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291557;MM291557;C=CCCCC(C)NN=C;GILYYKBONPLAKF-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291558;MM291558;C=NNCCC(C)NC=N;KHKOMTYPXAOSLH-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291559;MM291559;C=NNC(C)CCNC=N;APOIGDGKTTUUJO-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291560;MM291560;C=COCCC(C)NC=N;HECFTHQBCKWIFH-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291561;MM291561;CC(CCOC=O)NC=N;VLNDDUCMMWUBSP-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291562;MM291562;C=NOCCC(C)NC=N;DVOHZMVHZZGRLY-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291563;MM291563;C=NNC(C)CCON=C;KTOHSRADDPZSPX-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291564;MM291564;C=CCNCC(C)NC=N;DUCAHIFRGZJLKL-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291565;MM291565;C=CCNCC(C)NC=O;BKEWZWLQWAHSGA-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291566;MM291566;CC(CNNC=N)NC=N;VXQGVTGUEUPBDP-UHFFFAOYSA-N;143.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291567;MM291567;CC(CNNC=O)NC=N;FLUODBRVKAZGSX-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291568;MM291568;C=NNC(C)CNNC=N;BIHABOLCTQVBIG-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291569;MM291569;CC1(C=O)NC1C(N)=O;WSMITIFHCXQREA-UHFFFAOYSA-N;128.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291570;MM291570;C=CCOCC(C)NC=N;QFXBTISEEVTEIY-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291571;MM291571;CC(COCC=O)N=CN;LQGANKWGFSKPMY-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291572;MM291572;CC=NOC(C)C(N)=O;IJUHNMNJYJXFJD-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291573;MM291573;C=CCOCC(C)NN=C;CZBWCHWAGYEEGB-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291574;MM291574;CC(CONC=O)NC=N;KGYBAHFTPVAJIR-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291575;MM291575;C=COC(C)CCCC#N;QFWFIOYMYWUSLE-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291576;MM291576;CC(CCNC=N)OC=O;ILKOBYAJIBPYMU-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291577;MM291577;C=NOC(C)CCNC=N;BDQWLIBBKDKSMT-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291578;MM291578;C=COCCC(C)OC=C;QVOHHWQAOFEPOQ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291579;MM291579;C=COC(C)CCOC=O;RRRXBSMFWFHRKB-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291580;MM291580;C=COC(C)CNCC#N;DYFPZUGCJKPOBZ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291581;MM291581;CC(CNCC#N)OC=O;VEEWDBOGAGZZMO-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291582;MM291582;C=COC(C)COCC=O;GPGGSIAGSRYYSD-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291583;MM291583;C=COC(C)COCC#N;CWSIHDULZNJQKY-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291584;MM291584;C=COC(C)CONC=O;WJKXGQOGFALDJR-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291585;MM291585;C=NOC(C)CONC=N;KCOOUPZOQIXFIB-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291586;MM291586;C=NOC(C)CONC=O;CFHYWIILVGUOOM-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291587;MM291587;C=CCCNC(C)CC=C;MENGHDXLNBWGQB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291588;MM291588;C=CCC(C)NCCC=O;QWROWFAGHOQTKM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291589;MM291589;C=CCCNC(C)CC=O;PUTYARPAUFAWEN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291590;MM291590;CC(CC#N)NCCC#N;LRCLOIRABYYREG-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291591;MM291591;C=CCC(C)OCCC=O;RJWICSQDMYUYNR-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291592;MM291592;C=CCC(C)OCCC#N;HMWAUIOZHNTXGI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291593;MM291593;CC(CC=O)OCOC=O;YNCQXQHCMOQXGN-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291594;MM291594;C=COC(C)OCCC#N;FPGCZJLHNFMKLG-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291595;MM291595;C=COCOC(C)OC=C;IFXKUQVBZIMCMX-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291596;MM291596;C=COC(C)OCOC=O;GBWWGDWASWXHHG-UHFFFAOYSA-N;146.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291597;MM291597;C=CCCCN(C)CC=C;LRONISWRLLDIRW-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291598;MM291598;C=CCN(C)CCCC=O;XMYUOGPIFDOHEN-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291599;MM291599;C=CCCCN(C)CC#N;YYDJWOATOYMYSO-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291600;MM291600;CC=NN(C)C(=O)CF;YHYKUSLDAMAVLS-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291601;MM291601;CN(CC=O)CCN=CN;WATOZKDGQCZDTA-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291602;MM291602;C=CCN(C)CCOC=C;WDSXWXTWMFKVBE-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291603;MM291603;CN(CCCC=O)N=CN;IHJOKGCUDCHLFN-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291604;MM291604;CN(CCCC=O)NC=O;FANSUPUZWXALOQ-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291605;MM291605;C=COCCN(C)NC=O;FAWGUBAYGGYZBH-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291606;MM291606;C#CCCCC(C)CC=C;JJINWSSDAYNYRH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291607;MM291607;C#CCCCC(C)CC=O;OLDBCTIODABGKM-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291608;MM291608;C#CCCCC(C)CC#N;ZOMMKSLJGHSBGG-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291609;MM291609;C#CCCCC(N)CC=C;HJEHCLLPJOFVRE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291610;MM291610;C#CCCCC(O)CC=O;KRCWLHFDDCUBKB-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291611;MM291611;C#CCCCC(O)CC#N;NFVSUTLPIRHUKE-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291612;MM291612;C#CCNCC(C)CC=C;YAPJLJIBIPSFCR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291613;MM291613;C#CCNCC(C)CC=O;BWHCZRXANPSGJI-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291614;MM291614;C#CCNCC(C)CC#N;UCBPIOAGYFTINN-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291615;MM291615;C#CCNCC(O)CC=C;LKBTVNIODBYCRE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291616;MM291616;C#CCNCC(O)CC=O;NFAIGYYVURDSSY-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291617;MM291617;C#CCOCC(C)CC=O;OAFFJZJXNQWTMK-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291618;MM291618;C#CCOCC(C)CC#N;BHNVOHSRURPLFZ-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291619;MM291619;C#CCOCC(N)CC=C;ZTDCTLFJDSRQNU-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291620;MM291620;C#CCOCC(O)CC=C;GCDPTZBOFOFKQP-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291621;MM291621;C#CCOCC(O)CC=O;GUUHEFKHARWGGK-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291622;MM291622;C#CCOCC(F)CC=C;YLZZHBSQNSDIDP-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291623;MM291623;C#CCCCC(C)NC=N;VITNNJFSDFYPPR-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291624;MM291624;C=CC=C(CF)C(N)=O;TWLSSCACSWDDFU-UHFFFAOYSA-N;129.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291625;MM291625;C#CCCCC(C)NN=C;DJSKKDZFBBBPHX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291626;MM291626;C#CCNCC(C)NC=N;HNRJQLONZZGEKW-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291627;MM291627;C#CCCCC(C)OC=C;YSOSLCVKESDZJB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291628;MM291628;C#CCNCC(C)OC=C;FDJCISPWXUEYSZ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291629;MM291629;C#CCOCC(C)OC=C;LPYYGCMJEVRXAQ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291630;MM291630;C#CCOCC(C)OC=O;AYVAGBLXUALCQJ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291631;MM291631;C#CCOCC(C)ON=C;FGZOWKJJQRZYIZ-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291632;MM291632;C#CCCNC(C)CC=C;VMAFRRZLJZSAAG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291633;MM291633;C#CCCNC(C)CC=O;LISXLJRVUNWZPZ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291634;MM291634;C#CCCOC(C)CC=C;DJDGNFPESWKHRE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291635;MM291635;C#CCCOC(C)CC#N;CQNVUUOTRZWKCR-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291636;MM291636;C#CCCOC(C)OC=C;HIVNCHZEMCPXAP-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291637;MM291637;C#CCCCN(C)CC=C;FJQQFWBHDOEEKL-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291638;MM291638;C#CCCCN(C)NC=N;GTMWXCZEXBJVOE-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291639;MM291639;C#CCC(C)CCCCC;UTHILQMCUOEJSI-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291640;MM291640;C#CCC(C)CCCCN;YUJYATGMSZGBHT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291641;MM291641;N=CNc1cnc(N)o1;OQQRHPRRSAOLAA-UHFFFAOYSA-N;126.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291642;MM291642;C#CCC(N)CCCCO;OMEKICJQKOQHKE-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291643;MM291643;CON1C=NC(=NN)C1;QZFHJHYVBZVKJB-UHFFFAOYSA-N;128.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291644;MM291644;CC(F)(F)CC=CC(N)=O;RKZHJNRBXHOYIG-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291645;MM291645;C#CCC(F)CCCCC;DMALDSJTSJYHIK-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291646;MM291646;C#CCC(F)CCCCF;QAPOAFNDTBJOMA-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291647;MM291647;C#CCC(C)CCCNC;RVOUXCVNUDTYPK-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291648;MM291648;C#CCC(C)CCNCC;VZUPYLQSCQAPHE-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291649;MM291649;C#CCC(C)CCOCC;HSSORSIDELHQCF-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291650;MM291650;C#CCC(O)CCOCC;KBCIDTPQUZAHEK-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291651;MM291651;C#CCC(C)CNCCF;XMBLLOSWQVSULT-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291652;MM291652;C#CCC(O)CNCCF;WBDMOCIZPYQKAE-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291653;MM291653;C#CCC(F)CNCCC;HCBNKQOWOVXOQQ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291654;MM291654;C#CCC(C)COCCC;IYLKGHHOUOHPOZ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291655;MM291655;C#CCC(C)COCCN;IHCKLOLPEWJMKJ-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291656;MM291656;C#CCC(C)COCCO;KBDQGUASTNBCGL-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291657;MM291657;C#CCC(C)COCCF;KQGCLZIYOCZEIV-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291658;MM291658;C#CCC(O)COCCC;NDEBHLHXYGLZCB-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291659;MM291659;C#CCC(O)COCCO;QYSAMNBUAYGYBH-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291660;MM291660;C#CCC(O)COCCF;XNPQJTOASRTXON-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291661;MM291661;C#CCC(F)COCCN;QVXYYTHDCAHLJR-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291662;MM291662;C#CCC(F)COCCF;JLMLCQHKJYSXDM-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291663;MM291663;C#CCC(C)COCOC;XHDUJRXVPAGWGG-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291664;MM291664;C#CCC(C)NCCCC;VJVBRMXMHRMEPX-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291665;MM291665;C#CCC(C)NCCCF;WOARRCXDTKWJNA-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291666;MM291666;C#CCC(C)NCCNC;AOIOIONXZLKVLK-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291667;MM291667;C#CCC(C)OCCCC;DMPVTXAHFGPUFU-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291668;MM291668;C#CCC(C)OCCCO;CJBFXPPFNLGCFW-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291669;MM291669;C#CCC(C)OCOCC;LVMXGBDQBFTYQI-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291670;MM291670;C#CCN(C)CCCCC;ZLSSWZIIDZZNDQ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291671;MM291671;C#CCN(C)CCCCO;HUNRHGXCLKTGQX-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291672;MM291672;C#CCN(C)CCCOC;SYCRJAWNSKMFKQ-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291673;MM291673;C#CCC(C)CCCC=C;AZNNFYCMXZHNGS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291674;MM291674;C#CCC(C)CCCC=O;MTOPWGZHIHDNJJ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291675;MM291675;C#CCC(C)CCCC#N;OAJLKRROGWDSNT-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291676;MM291676;C#CCC(N)CCCC=C;CRNGQALYJDYLAU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291677;MM291677;CC(F)C#CC=CC(N)=O;DDJGUTJIBPFLMQ-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291678;MM291678;C#CCC(F)CCCC=O;WAUMZKADWWOTHE-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291679;MM291679;C#CCC(C)CCNC=N;GAPGMOMJQOCLFZ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291680;MM291680;N=C(CF)N(N)CC(N)=O;ZTGVKEPMUOVGIH-UHFFFAOYSA-N;148.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291681;MM291681;C#CCC(O)CCNC=N;ZRVCJTFCQRPSNW-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291682;MM291682;C#CCC(F)CCNC=N;XOIUOTGLHOEYEL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291683;MM291683;C#CCC(C)CCNN=C;IUYGBVAQCGRYCI-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291684;MM291684;C#CCC(F)CCNN=C;SRAAMUQPZLQXJF-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291685;MM291685;C#CCC(C)CCOC=C;MKINSJACERFVNT-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291686;MM291686;C#CCC(C)CCOC=O;ZKSQGSNPPNCKQS-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291687;MM291687;C#CCC(N)CCOC=C;ZVAZSIPZYAVDGA-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291688;MM291688;C#CCC(O)CCOC=C;ILDHQOPHVIUDDH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291689;MM291689;C#CCC(F)CCOC=O;VHJDROZSPHZPKB-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291690;MM291690;C#CCC(C)CCON=C;JBQHZHHZJLLFJV-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291691;MM291691;C#CCC(F)CCON=C;YQQKXHDZLGZEIK-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291692;MM291692;C#CCC(C)CNCC=C;NXUZOZBHUUNASJ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291693;MM291693;C#CCC(C)CNCC=O;BTFZLERKBSXQJR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291694;MM291694;C#CCC(C)CNCC#N;YPCCGYUCHFIBQP-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291695;MM291695;C#CCC(N)CNNC=N;QTPZRMIVLQHLFP-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291696;MM291696;C#CCC(O)CNNC=N;YCMQPNVMAGIRRU-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291697;MM291697;C#CCC(C)COCC=C;JUZVRQQUUZHHAM-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291698;MM291698;C#CCC(C)COCC=O;ZIZPWHWSDVMJKK-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291699;MM291699;C#CCC(O)COCC=C;ZJTIAPAXXYKRJK-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291700;MM291700;C#CCC(C)CONC=O;PCMNMAFBOSRFIX-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291701;MM291701;C#CCC(N)CONC=N;PASRHWXALPZQCS-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291702;MM291702;C#CCC(C)NCCC=C;HCMIJLKREVOOAN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291703;MM291703;C#CCC(C)OCCC=C;PJUCIOQUAPSJIY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291704;MM291704;C#CCC(C)OCCC=O;BXFYDRHSZDDTNW-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291705;MM291705;C#CCC(C)OCCC#N;OPWAAHIDVMBEKQ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291706;MM291706;C#CCN(C)CCCC=C;VAEAIBBGXIWHEK-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291707;MM291707;C#CCCCC(C)CC#C;KVNBVZBNLLWZIN-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291708;MM291708;C#CCCCC(N)CC#C;KJOIAPHSDMKCMP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291709;MM291709;C#CCNCC(C)CC#C;UKZJVODIDCGUSQ-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291710;MM291710;C#CCOCC(C)CC#C;XMYBGGQFOIOWDF-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291711;MM291711;C#CCCOC(C)CC#C;SZAUEZMGMIPOLD-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291712;MM291712;C#CCCCN(C)CC#C;AKNMZGWEDASXGQ-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291713;MM291713;C=C(CCC)CCCCC;ITKIOIGYCHMPKI-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291714;MM291714;C=C(CCC)CCCCN;BOPXBBVGYRKQLX-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291715;MM291715;C=CCC(=O)C(C)=NNC;SBHUAVNVSLPRIF-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291716;MM291716;C=C(CCC)CCCCF;JTISODZNRGKHGN-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291717;MM291717;C=C(CCN)CCCCF;UHQKXDZETCVCNZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291718;MM291718;C#CCCCN(N)C(N)=O;OYHUHQLCANHSJM-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291719;MM291719;C=C(CCF)CCCCF;OZDIDTHJSASXNX-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291720;MM291720;CCCCCC(=O)CCC;TYBCSQFBSWACAA-UHFFFAOYSA-N;142.24;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291721;MM291721;CCCCCC(=O)CCO;VGFJNJIGFHOBEJ-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291722;MM291722;O=C(CCO)CCCCO;MRHVMTQFFKFTBK-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291723;MM291723;C=C(CCC)CCCNC;SEHKKFYOKWVKNR-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291724;MM291724;C=C(CCF)CCCNC;CJJSBMRVPLBATR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291725;MM291725;CCCC(=O)CCCNC;INIZDPMPTBVRHE-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291726;MM291726;CNCCCC(=O)CCO;CVHUVULBNZYZKP-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291727;MM291727;C=C(CCN)CCCOC;MUNBZLUGINSQLS-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291728;MM291728;COCCCC(=O)CCO;WEQYXELNYOMHEH-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291729;MM291729;C=C(CCCCC)CNC;PTGPNWXGCHDVND-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291730;MM291730;C=C(CCCCF)CNC;LPGYDMSAVRLHOT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291731;MM291731;CNCC(=O)CCCCO;IKWLROUUXIPFQS-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291732;MM291732;C=C(CCCNC)COC;NNMPRJGAXXUXEP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291733;MM291733;C=C(CCC)CCNCC;LRORTUGGMZMUHD-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291734;MM291734;C=C(CCF)CCNCC;KGADWCJUORZFKP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291735;MM291735;CCCC(=O)CCNCC;YMOXBYRDZODCGN-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291736;MM291736;CCNCCC(=O)CCO;WUTIECISSNSNJZ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291737;MM291737;CCNCCC(=O)CNC;SFLGYFLVANRRSD-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291738;MM291738;C=C(CCNCC)COC;ZSQWDYJJWXOTGL-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291739;MM291739;C=C(CCC)CCOCC;HNYHSXLFPSSZCJ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291740;MM291740;C=C(CCN)CCOCC;BZNOOARYRHRWJZ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291741;MM291741;CCOCCC(=O)CCO;QPGBTYPLFRADIJ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291742;MM291742;C=C(CCOCC)CNC;YSSNXKPSWRFKAP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291743;MM291743;CCOCCC(=O)CNC;QGXPKEFUNTUWGX-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291744;MM291744;C=C(CCC)CNCCN;XFDURPRRGBQARL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291745;MM291745;C=C(CCN)CNCCN;XXDAAYJJHJPBOJ-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291746;MM291746;C=C(CCF)CNCCC;FWFRTIBJZOKFRW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291747;MM291747;C=C(CCF)CNCCO;PDAUFLPUKYWXRX-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291748;MM291748;CCCNCC(=O)CCC;BLNLMWJSEBISFM-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291749;MM291749;CCCNCC(=O)CCO;CTIAIEBSICRGLA-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291750;MM291750;C=C(CNC)CNCCO;MJSVBBPYPJMNKK-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291751;MM291751;CCCNCC(=O)CNC;JCSVSWMKVVEXMO-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291752;MM291752;C=C(CCC)COCCC;BJPSHVVJGSFZFX-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291753;MM291753;C=C(CCN)COCCN;JCIBQDWYRBZPHM-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291754;MM291754;C=C(CCN)COCCO;OOFZJRMZHWJADI-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291755;MM291755;C=C(CCC)COCOC;ZFYJMRTYQZKGEN-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291756;MM291756;C=C(CCN)COCOC;FTCPBUAQKIQZJV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291757;MM291757;COCOCC(=O)CCO;YZEQCNQRVPOUGT-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291758;MM291758;C=C(CNC)COCCC;ZVHJDJXZYTXKQP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291759;MM291759;C=C(CNC)COCOC;XYMZOSFRQUJWRG-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291760;MM291760;COCC(=O)COCCO;PGLJDOYHOULXOR-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291761;MM291761;COCC(=O)COCCF;ZFIUVHJRJAFWCQ-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291762;MM291762;CCCCCC(=N)NCC;IDIWBCKEBHSANO-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291763;MM291763;CCNC(=N)CCCCF;CIDVCJVNWKQQET-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291764;MM291764;C#CCCNN(C)C(N)=O;JLKQDNMVIPBEPR-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291765;MM291765;CCNC(=N)CCCNC;YYKCYNVNYOXZMH-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291766;MM291766;CCNC(=N)CCCOC;ROOACXTVOFOHOO-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291767;MM291767;CCCCCC(=N)NNC;VHIJOWBNCANROI-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291768;MM291768;CNC(=O)CC(=NN)OC;FVPUAVOLBZUIEW-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291769;MM291769;CNNC(=O)CCCCN;PUNMZHHAXAXDSX-UHFFFAOYSA-N;145.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291770;MM291770;COCCCC(=O)NOC;BXOPGHUEHWRGBQ-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291771;MM291771;CCNCCC(=O)NCC;JNKNTVDDUSWEHW-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291772;MM291772;CCNCCC(=O)NOC;NOIDRTNRHWVTIP-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291773;MM291773;CCNC(=N)CCOCC;HSCDLFCWLRLYJP-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291774;MM291774;CCOCCC(=N)NOC;IPHIXJDNVJZPTQ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291775;MM291775;CCNC(=N)CNCCN;YZEGUPDOFQDGFU-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291776;MM291776;CCNC(=N)CNCCO;ALSWQCIPQFJRGV-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291777;MM291777;CCNC(=N)CNCCF;YUPFNWDEVPLDCD-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291778;MM291778;CCNC(=N)COCCO;QLIYXVZFOSGYGI-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291779;MM291779;CCNC(=N)COCCF;AQEKVWBEKJOPTA-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291780;MM291780;CCNC(=N)COCOC;KSXQNAXHQUWFQE-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291781;MM291781;N=CN(C=O)NCC(N)=O;NWPQQNLOYDXZLG-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291782;MM291782;C#CC(C=O)NCC(N)=O;LIJPQHLMCWBHHH-UHFFFAOYSA-N;140.14;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291783;MM291783;Nc1c(O)noc1CO;ADQVAPVLDKTLQG-UHFFFAOYSA-N;130.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291784;MM291784;CCNCCC(=O)OCC;CNRWEHBBGLCEHG-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291785;MM291785;C=C(CCOCC)OCC;KKJYQDGCMWJANQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291786;MM291786;CCOCCC(=O)OCC;BHXIWUJLHYHGSJ-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291787;MM291787;C=C(CNCCC)OCC;WEQJIJQKCGLQEW-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291788;MM291788;C=C(COCCO)OCC;JQELWOPTDDOZJK-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291789;MM291789;CCOC(=O)COCCN;QTSPHTZFRIQURF-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291790;MM291790;CCCCNC(=N)CCC;RPLUDCDNPWUGBY-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291791;MM291791;CON=CC(C#N)CC=O;VOEQJGVALJZOJO-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291792;MM291792;CCCC(=O)NCCCN;BXJNBUDXKXZPLJ-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291793;MM291793;CCCC(=O)NCCCF;NARQAIFMNAFHIW-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291794;MM291794;CCCCNC(=O)CCF;AENRMYLBQMSYOT-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291795;MM291795;O=C(CCF)NCCCF;UGUHSAPECMBPAB-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291796;MM291796;CNCCNC(=N)CCN;MWMLSQKOQXBENS-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291797;MM291797;COCCNC(=N)CCO;COSILLLTEVRBFG-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291798;MM291798;COCCNC(=N)CCF;NCZFLSAKIPDDBK-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291799;MM291799;COCCNC(=O)CCO;PUKPBRLFJWOKNK-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291800;MM291800;CCCNNC(=N)CCC;ZHUMWJZGDQIVNE-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291801;MM291801;CCCC(=N)NNCCN;YYIKUPFLYZZMGL-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291802;MM291802;CNCC(=N)NNCCN;DBCZADRYJYVNQK-UHFFFAOYSA-N;145.21;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291803;MM291803;Cn1c(N)nn(C=N)c1=O;ARNWACLFYVCNAO-UHFFFAOYSA-N;141.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291804;MM291804;CCCONC(=N)CCC;WSDILYXOLIZXMT-UHFFFAOYSA-N;144.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291805;MM291805;CCCONC(=N)CCN;OFWACZYGLRAVFD-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291806;MM291806;CCCONC(=N)CCO;AGDKZAFZOMUTJG-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291807;MM291807;N=C(CCO)NOCCO;GRYHHMLYJNKGNM-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291808;MM291808;N=C(CCF)NOCCF;UEBKCHGLSZCCCO-UHFFFAOYSA-N;152.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291809;MM291809;CCCONC(=O)CCO;AQSKVBKVFUMJBT-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291810;MM291810;O=C(CCO)NOCCO;BQUNUFCZMKEVMR-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291811;MM291811;COCONC(=N)CCN;WLKAVMPEIYHIOK-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291812;MM291812;COCC(=N)NOCCO;SLLKDODOZVYUKI-UHFFFAOYSA-N;148.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291813;MM291813;O=Cc1nnn(O)c1F;FIXUEDRQDNTJOG-UHFFFAOYSA-N;131.07;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291814;MM291814;CCNC(=N)NCCCO;RBIUIIZJWWIFGD-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291815;MM291815;CCNC(=N)NCCNC;PXKLFDBFUSPMEL-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291816;MM291816;CCNC(=N)NCCOC;DKEKJAJQEDUMMU-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291817;MM291817;CNNC(=N)NCCCO;MRFZSUWQUCAEHZ-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291818;MM291818;CNNC(=O)NCCCN;FCTVSOXPNJXQSK-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291819;MM291819;C=CCc1cc(NC)n[nH]1;IDUWRGQNWLTTJU-UHFFFAOYSA-N;137.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291820;MM291820;CNCCNC(=O)NNC;WSWGPYZAUUCFSL-UHFFFAOYSA-N;146.19;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291821;MM291821;CNNC(=N)NCCOC;BXGKTEQZKBVQPL-UHFFFAOYSA-N;146.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291822;MM291822;C#CCC(=O)C#CC1CN1;IHGUFBJOOIVLIG-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291823;MM291823;CONC(=O)NCCCO;QTLAWZVCRHVAHB-UHFFFAOYSA-N;148.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291824;MM291824;COCCNC(=N)NOC;KLSVVUIRTUMGNC-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291825;MM291825;COCCNC(=O)NOC;UPPKRYGXZQHGFI-UHFFFAOYSA-N;148.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291826;MM291826;CCNC(=N)NNCCN;HIBNBWHNNYFDLY-UHFFFAOYSA-N;145.21;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291827;MM291827;C=NN(C)C(=O)CF;RZRLPLVQFUTORC-UHFFFAOYSA-N;118.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291828;MM291828;CNNC(=O)NNCCN;TXPZYQHANVGJDA-UHFFFAOYSA-N;147.18;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291829;MM291829;NN=C1C=CC(F)C1;DCMISZBWVGNGTE-UHFFFAOYSA-N;114.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291830;MM291830;CNC1=NCC(=O)O1;LSJCXNQUTQPUIK-UHFFFAOYSA-N;114.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291831;MM291831;CNNC(=N)NOCCN;SPZFOEXRFBDXQH-UHFFFAOYSA-N;147.18;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291832;MM291832;CNNC(=O)NOCCN;UTYCBKJDHWVHCT-UHFFFAOYSA-N;148.17;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291833;MM291833;CNNC(=O)NOCCO;VQMLPDKKRHVAMR-UHFFFAOYSA-N;149.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291834;MM291834;CNNC(=N)NOCOC;GQHBBNXEKBMNFK-UHFFFAOYSA-N;148.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291835;MM291835;CONC(=N)NOCCN;VXNZSXXFHCWYGE-UHFFFAOYSA-N;148.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291836;MM291836;CONC(=N)NOCCO;XOJKLHNSPLDISC-UHFFFAOYSA-N;149.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291837;MM291837;CCCONC(=O)NOC;IAZBGKJYEHZMJW-UHFFFAOYSA-N;148.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291838;MM291838;CONC(=O)NOCCN;KOGLNYOADHGQHJ-UHFFFAOYSA-N;149.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291839;MM291839;CONC(=O)NOCCO;UFLZVFMOKYAKIO-UHFFFAOYSA-N;150.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291840;MM291840;CCOC(=N)NCCCO;OPPLBCNQZBYETB-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291841;MM291841;C=C(CCC)OCCCC;QNRLHQNATKMVGS-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291842;MM291842;C=C(CCC)OCCCN;BJWHLPVPPUSVBV-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291843;MM291843;C=C(CCF)OCCCN;ZUCBVUTVOMWBCM-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291844;MM291844;C=C(CCF)OCCCF;SRFXHINOAFTCNK-UHFFFAOYSA-N;150.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291845;MM291845;CCCC(=O)OCCCO;KMBBFZNKUXOELM-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291846;MM291846;CCCCOC(=O)CCF;ZWLWUJOAGZSJAI-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291847;MM291847;C=C(CCO)OCCNC;ABPSUVFXKTVCIX-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291848;MM291848;C=C(CCF)OCCNC;FNFIMSZFVORIQA-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291849;MM291849;C=C(CCN)OCCOC;QOCDVMGGJGCOER-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291850;MM291850;COCCOC(=O)CCO;USFYTOXHKXGXLB-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291851;MM291851;C=C(CCC)OCOCC;YHFYSUIWUFYLNQ-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291852;MM291852;CCCC(=O)OCOCC;XOSIZROGQJNXLQ-UHFFFAOYSA-N;146.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291853;MM291853;CCNC(=N)OCCCN;OONPSJCZOVBNCP-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291854;MM291854;CCNC(=N)OCCCO;CJZRKNPTBHESJB-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291855;MM291855;CCNC(=O)OCCCN;VSTRSEPXQROUGF-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291856;MM291856;CCNC(=N)OCCNC;DMZAKRNFEQEYAT-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291857;MM291857;CONC(=O)OCCCF;HCFHXMIQEIZTHP-UHFFFAOYSA-N;151.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291858;MM291858;COCCOC(=O)NOC;GXUSOGPICLBVQZ-UHFFFAOYSA-N;149.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291859;MM291859;CCCCOC(=O)OCC;DISYGAAFCMVRKW-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291860;MM291860;CCOC(=O)OCCOC;VEGHPSPMDZZFMB-UHFFFAOYSA-N;148.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291861;MM291861;CCOCOC(=O)OCC;VSHNJVMOSFHKOW-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291862;MM291862;C=CCCCC(=C)CCC;SUPYERCQPLGKKM-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291863;MM291863;C=C(CCC)CCCC=O;ZWXPAZPWXLYRRK-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291864;MM291864;C=C(CCC)CCCC#N;IVHMUJGQLJCVGS-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291865;MM291865;C=C(CCF)CCCC=O;LNQMPRUEWJXBQL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291866;MM291866;C=CCCCC(=O)CCC;FMNAXAISJAGCLV-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291867;MM291867;C=CCCCC(=C)CNC;FKKFCORBMWOYGG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291868;MM291868;C=C(CCCC=O)CNC;MUEIGDOKCZSIAT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291869;MM291869;C=CCCCC(=O)CNC;PBTLLKLKUUMZLU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291870;MM291870;C=C(CCCC=O)COC;FVYUHMVYPHTWEA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291871;MM291871;C=C(CCN)CCNC=O;VVBGNXXYYLORFU-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291872;MM291872;C=C(CCF)CCNC=N;RQEQJOKYQFPDOV-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291873;MM291873;NC=NCCC(=O)CCO;DRWGFSUEKMLRDY-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291874;MM291874;C=NNCCC(=C)CCC;XTZRKRFYZZJXTO-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291875;MM291875;C=NNCCC(=C)CCN;GLRNLCZPNCHEFT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291876;MM291876;N#CCNCCC(N)=O;ZDAXJOHTEDRYEC-UHFFFAOYSA-N;127.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291877;MM291877;C=NNCCC(=C)CCF;NQWZKXLOKCOJAV-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291878;MM291878;Cn1cnc(=O)nc1N;LDHIQDDSOYYYCW-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291879;MM291879;C=C(CCNC=N)CNC;OBRRIWOPQJYJFF-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291880;MM291880;C=C(CCNC=O)CNC;AIOYUDZVOVVKSB-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291881;MM291881;C=COCCC(=C)CCN;BOKAQGMXUHXHFE-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291882;MM291882;C=C(CCN)CCOC=O;JQXRBOSOUKSXKB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291883;MM291883;C#CC1C(F)C1NN=C;NXUGRNLJGTZSHK-UHFFFAOYSA-N;126.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291884;MM291884;C=COCCC(=O)CCC;NZCRKOQXNQZCHN-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291885;MM291885;C=COCCC(=O)CCO;OETWQRKKAVHKHF-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291886;MM291886;O=COCCC(=O)CCO;GWQGFPFZGCSTTL-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291887;MM291887;CCNC(=O)C=C(N)C=O;JBIOVTZDRLSUQX-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291888;MM291888;C=COCCC(=C)CNC;MDVAWZILNKXFIK-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291889;MM291889;CNCC(=O)CCOC=O;LQYVKPRMWVJZOS-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291890;MM291890;C=CCNCC(=C)CCC;VWASWKPIWFTMEB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291891;MM291891;C=C(CCC)CNCC#N;AWFPJXMBKGWWLQ-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291892;MM291892;C=CCNCC(=C)CCN;CCBJOKDEABILHZ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291893;MM291893;C=CCNCC(=C)CCF;AWEMBDFPPYQUDF-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291894;MM291894;C=C(F)C(=CC(N)=O)OC;OYNJWUMIJAYWSL-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291895;MM291895;C=C(CNC)CNCC=O;LBZPUBYNRZYVEF-UHFFFAOYSA-N;142.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291896;MM291896;C=C(CCC)CNNC=N;UPTPKKJWZFILTB-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291897;MM291897;C=C(CCN)CNNC=N;CCEJLFBZVRIPRD-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291898;MM291898;C=C(CCN)CNNC=O;YBZKPTLDQUSFRY-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291899;MM291899;C=C(CNC)CNNC=N;HZRXLTKHVJCNBD-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291900;MM291900;C=C(CNC)CNNC=O;ITXVVPLSIGDJEQ-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291901;MM291901;COCCNN=CC(N)=O;QMESTWVUTHKTPR-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291902;MM291902;C=CCOCC(=C)CCC;QPAXZOXDYBSREM-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291903;MM291903;C=C(CCC)COCC=O;JCEIOMMRVFGVNL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291904;MM291904;C=C(CCC)COCC#N;LIQKDUJNUMEOGU-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291905;MM291905;C=CCOCC(=C)CCN;YUXWHNHEEGMQKA-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291906;MM291906;C=C(CCO)COCC#N;USZPWNTVCZHVTD-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291907;MM291907;C=CCOCC(=O)CCC;MTCQRLMUBPPHDP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291908;MM291908;CCCC(=O)COCC=O;GUGWOZQZAKKFHH-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291909;MM291909;C=CCOCC(=C)CNC;IDLBSKNBQNERIC-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291910;MM291910;C=C(CNC)COCC=O;UPJGCBGMQNDEHM-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291911;MM291911;C=C(CCO)CONC=O;XCXDYLWVFKTGDV-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291912;MM291912;C=C(CCF)CONC=N;HCSCSDQVMCKZJZ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291913;MM291913;CCCC(=O)CONC=O;GBKQJNDLCMXGLV-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291914;MM291914;C=C(CNC)CONC=N;SQNBKVXDYIHUAU-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291915;MM291915;C=C(CNC)CONC=O;HQOLYCIXNPJIQX-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291916;MM291916;CN=CN=NC(C)=CNO;ZSDQSIYYLYRAOC-UHFFFAOYSA-N;142.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291917;MM291917;C=CCCCC(=N)NOC;BLSGNOMFMYRTFG-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291918;MM291918;C=CCCCC(=O)NOC;CPIQVCLUQMGHDS-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291919;MM291919;CONC(=O)CCCC=O;GVJVPDAOSFVRKK-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291920;MM291920;CONC(=O)CCCC#N;MKVSNUGSODAXIU-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291921;MM291921;CCNC(=N)CCNC=N;HDLRTWFOTIVBAM-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291922;MM291922;C=COCCC(=N)NCC;POIFSCZRTHYCNY-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291923;MM291923;CCNC(=N)CCOC=O;FLJJVZZZQUVPLK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291924;MM291924;CCNC(=N)CNCC#N;JEDNSGHBSFOYTC-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291925;MM291925;CC(=CNO)N=NC=NN;KTUIPBIGSRGEKC-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291926;MM291926;CNNC(=O)CNN=CN;IBMGOMSXJAXNBY-UHFFFAOYSA-N;145.17;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291927;MM291927;C=CCOCC(=N)NCC;JWBWXTNTVIHFGQ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291928;MM291928;CCNC(=O)COCC=O;GZXYEJCCASDNLT-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291929;MM291929;C=C(C(N)=O)C(C#N)CC;RFELEPPAMZBZPF-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291930;MM291930;C=CCOCC(=N)NOC;XNKZZYPRCRYZFW-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291931;MM291931;C#CC(CF)=C(C)C(N)=O;RSKVNOLIOUZMRD-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291932;MM291932;Cn1nc(O)oc1=NO;IBMBRMJBIGZAQM-UHFFFAOYSA-N;131.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291933;MM291933;CCNC(=N)CONC=O;VWJBMBWHPJSUFF-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291934;MM291934;CNNC(=O)CONC=O;COAMAZLQAUJKSZ-UHFFFAOYSA-N;147.13;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291935;MM291935;CNC(=O)CC1(C=O)CN1;BCNSZQOFIGCZTM-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291936;MM291936;C=C(CNCC#N)OCC;CDCWVJNFQAVTSV-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291937;MM291937;C=C(COCC#N)OCC;HHHMIDSVGZGBQQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291938;MM291938;CCOC(=O)COCC=O;DHHRDOZDFZFZSE-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291939;MM291939;C=C(CONC=O)OCC;IGSPPNSLHXGTSD-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291940;MM291940;CCCC(=N)NCCC=O;MYSIKHQJEDJUQH-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291941;MM291941;N#CCCNC(=N)CCO;PDHYQZJNIVZYTP-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291942;MM291942;N=C(CCF)NCCC=O;GKHOVKVNDGVOSA-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291943;MM291943;C=CC(=O)NCC=CCF;KQEWVLHTXXAASY-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291944;MM291944;N#CCCNC(=O)CCO;RVPXHMYQSLIMCB-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291945;MM291945;O=CCCNC(=O)CCF;ICSPRAKIUIDJSA-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291946;MM291946;CNCC(=N)NCCC#N;RUPSHXDCVPAOGS-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291947;MM291947;CNCC(=O)NCCC#N;FSVPONZIGITUBB-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291948;MM291948;C=CCCNC(=N)COC;BZPWGHRWHABDES-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291949;MM291949;N#CCNNC(=N)CCO;CVIKHCIGGDJVSB-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291950;MM291950;N#CCNNC(=O)CCO;GIKXBSWCVCRLNB-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291951;MM291951;C=CCNNC(=N)CNC;HCYAHJFRMOITPQ-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291952;MM291952;CNCC(=N)NNCC=O;KZYVCEMFTYKBLS-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291953;MM291953;CNCC(=O)NNCC#N;AKXJHMHYFIIMRH-UHFFFAOYSA-N;142.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291954;MM291954;C=CCNNC(=N)COC;CXNRTTWLEFFEAR-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291955;MM291955;CN=C(C)N=NC=CNO;ODWXCKPBZHQTJM-UHFFFAOYSA-N;142.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291956;MM291956;COCC(=O)NNCC#N;BRHOJKCAPXLWNS-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291957;MM291957;C=CCONC(=N)CCN;FBTUGNJWCSPKEW-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291958;MM291958;N#CCONC(=N)CCO;GMFWACOVHIDDMB-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291959;MM291959;C=CCONC(=O)CCN;SPEVHMRDTWYLPI-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291960;MM291960;O=C(O)CCC=NO;ZZJAVKOJVNLBJY-UHFFFAOYSA-N;117.1;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291961;MM291961;C=NNC(=O)CCC(=O)O;CWURRSKYLXZJEX-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291962;MM291962;C=CCCNC(=N)NCC;NPTCMGHEPMHBHZ-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291963;MM291963;CCNC(=N)NCCC=O;KRGSZUVDZDZNTP-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291964;MM291964;N#CC1CC1C=CC(N)=O;HONWMKHYWRNYCF-UHFFFAOYSA-N;136.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291965;MM291965;CONC(=N)NCCC=O;LYBHLTCAZIFAFL-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291966;MM291966;CCNC(=N)NNCC#N;CCWMWGJAZPJDPU-UHFFFAOYSA-N;141.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291967;MM291967;CNNC(=N)NNCC#N;ILFMQMMZHMBOBA-UHFFFAOYSA-N;142.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291968;MM291968;CNNC(=O)NNCC#N;FQNCXLAORUCDPF-UHFFFAOYSA-N;143.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291969;MM291969;CONC(=O)NNCC#N;ZPSSNKFERTZIHM-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291970;MM291970;CNNC(=N)NOCC=O;OMAXUGHHNGRGNA-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291971;MM291971;CNNC(=O)NOCC=O;GHIIVPOELPMWJD-UHFFFAOYSA-N;147.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291972;MM291972;CONC(=O)NOCC#N;PDOOQOYRWAUKEG-UHFFFAOYSA-N;145.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291973;MM291973;C=CCCNC(=O)OCC;UUDCIVJTMZEFPZ-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291974;MM291974;CCOC(=O)NNCC#N;RAFPXSCZUYXCDV-UHFFFAOYSA-N;143.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291975;MM291975;CCOC(=O)NOCC=O;NXGGYLHPDCMSSK-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291976;MM291976;C=CCCOC(=C)CCC;RNULFDZENUDIKY-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291977;MM291977;C=C(CCC)OCCC=O;JBAXUNTVAMVCLT-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291978;MM291978;C=C(CCC)OCCC#N;INDCTNSOQCKWBI-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291979;MM291979;CCCC(=O)OCCC#N;QXSQGGXKZNLMQL-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291980;MM291980;C=CCCOC(=O)CCO;XJLCQFGOKLJLJF-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291981;MM291981;N#CCCOC(=O)CCO;JMAIOQXJMXPZDB-UHFFFAOYSA-N;143.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291982;MM291982;C=CCCOC(=C)CNC;PLLORXSMHWALSX-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291983;MM291983;C=C(CNC)OCCC=O;UCKOTDDLKFFETE-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291984;MM291984;C=C(CCC)OCOC=O;KXRYLFJNWQYMEX-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291985;MM291985;C=COCOC(=C)CCO;HEUVHGLAGRSCOA-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291986;MM291986;C=C(CCO)OCOC=O;LKPYHLZTTAFFAK-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291987;MM291987;C=COCOC(=O)CCC;MBINMWVMXHDCRC-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291988;MM291988;O=COCOC(=O)CCO;JNIHTAPLVHBBCW-UHFFFAOYSA-N;148.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291989;MM291989;CNC(=O)C1CN1;CJWRTVXNTNEARE-UHFFFAOYSA-N;100.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291990;MM291990;C=NOCOC(=C)CNC;WYXBXGXKAWTDGI-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291991;MM291991;C=COCOC(=C)COC;AVHJGNRXGVTSKZ-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291992;MM291992;CC1CN1N=CC(N)=O;YQILBGVZTFICIL-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291993;MM291993;O=CNCC1(CF)CN1;GCZOMARRDAWNLY-UHFFFAOYSA-N;132.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291994;MM291994;N#CC(=O)C1NC1CF;YEIZMXXYOWMAKU-UHFFFAOYSA-N;128.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291995;MM291995;NC(C(F)(F)F)C(F)(F)F;UHEDJBIYIWUMLU-UHFFFAOYSA-N;167.05;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291996;MM291996;C=COCOC(=O)OCC;KBKBJLZQCLZWLL-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291997;MM291997;C#CCCCC(=C)CCC;GWNBFZWIZOWWHD-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291998;MM291998;C#CCCCC(=C)CCN;YKZOQSUTALNVBH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM291999;MM291999;CC(C)=CC(F)=CC(N)=O;FHSARDKPWHCYAJ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292000;MM292000;C#CCCCC(=O)CCC;OQQSWEKLMRGHQE-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292001;MM292001;C#CCCCC(=O)CCO;ODGCAZSQGGHFAP-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292002;MM292002;C#CCCCC(=C)CNC;NLISUVDGYMMOLR-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292003;MM292003;C#CCCCC(=C)COC;DMFJOSRCUOZWCH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292004;MM292004;C#CCNCC(=C)COC;AGUDIKONHAWEBQ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292005;MM292005;C#CCOCC(=O)CCF;LOSWVTUDMANCNI-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292006;MM292006;C#CCOCC(=C)CNC;IPJJZAOHPQEBFL-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292007;MM292007;C#CCCCC(=N)NCC;RPLONBSHVGIWFY-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292008;MM292008;C#CCCCC(=O)NCC;NFOAVEROLUVQRZ-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292009;MM292009;C#CCOCC(=O)NCC;MKMVSTPIKBYNOU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292010;MM292010;NC(=O)C=CC(F)CC=O;DKTJMYKJJZBKOH-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292011;MM292011;CC=NN=CNCC(=O)O;ODEYRITWWDSEOL-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292012;MM292012;C#CCOCC(=O)OCC;SKFAEXSXEBYUSS-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292013;MM292013;C#CCCNC(=N)CCC;SJIOBGLALDVZOX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292014;MM292014;C#CCCNC(=N)CCN;IXFNOSROLNUEHV-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292015;MM292015;C#CCCNC(=N)CCO;OQJVUMQYZRJARK-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292016;MM292016;C#CCCNC(=O)CCN;POIMDSXAHVGGQV-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292017;MM292017;C#CCCNC(=N)CNC;CMOIRWSMGOVPSD-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292018;MM292018;C#CCONC(=N)CCC;FVMLUZGXQLRFBO-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292019;MM292019;C#CCONC(=N)CCN;NEORBQBKLLFDDE-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292020;MM292020;C#CCCNC(=N)NCC;IIVCVGQKHAYYDQ-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292021;MM292021;C#CCCNC(=N)NNC;JSLKEUIOHDRGOI-UHFFFAOYSA-N;140.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292022;MM292022;CNC(=O)CN(N)C=NN;YZABCPDMEOGPAQ-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292023;MM292023;CC=CC(=O)NC(C)CF;LYGQKLPCIVXSCI-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292024;MM292024;CC=C(C)C(F)=CC(N)=O;KTNGUMDIFUMXTJ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292025;MM292025;C#CCONC(=N)NNC;RVXSDWJZCFWURN-UHFFFAOYSA-N;142.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292026;MM292026;C#CCONC(=O)NNC;UNUHYLGNQVGZFU-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292027;MM292027;C#CCONC(=N)NOC;RCJMDJNAIFIKAH-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292028;MM292028;C#CCCOC(=C)CCO;ICCPACCBDQNPFE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292029;MM292029;C#CCCOC(=O)CCN;HHTHLAIDWUGXAY-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292030;MM292030;C#CCCOC(=O)CCO;QAEKYJFGSJOMJL-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292031;MM292031;C#CCCOC(=O)CCF;RXXSJMPRIUUGTL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292032;MM292032;C#CCCOC(=N)NCC;FNQOLVDCBYJITN-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292033;MM292033;C#CCCOC(=O)OCC;NICACVJEFZMVPC-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292034;MM292034;C=CCC(=C)CCCCC;DXLPDWAZOCJVFL-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292035;MM292035;C=CCC(=C)CCCCN;VEKGGVZEYIOSJC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292036;MM292036;NC(=O)C=COCCCO;RDPCKIMYUJGVKY-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292037;MM292037;C=C(CC=O)CCCCC;PAXQPFVYDDZORN-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292038;MM292038;C=C(CC#N)CCCCC;KCODEPMYENIFEB-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292039;MM292039;N#CC=CNC=CC(N)=O;DTDNDDBNQUVEGK-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292040;MM292040;CC(C(N)=O)=C(N)OC=O;ZJFQKMZVAPRXEB-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292041;MM292041;C=C(CC=O)CCCCF;NHLVWUOSYARCOB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292042;MM292042;C=CCC(=O)CCCCC;WDBHYTAEQAWRCQ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292043;MM292043;C=CCC(=O)CCCCO;JPOZUDZBSGVTOW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292044;MM292044;C=CCC(=O)CCCCF;MLLBZCKQGFRCNI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292045;MM292045;C=CCC(=C)CCCNC;OZBIHNKTBMVDBD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292046;MM292046;C=C(CC=O)CCCNC;CALPDYGRIAWXPO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292047;MM292047;C=C(CC#N)CCCNC;DENIJSFISDXNKO-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292048;MM292048;C=CCC(=O)CCCNC;FMYDWKHQIQJNNK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292049;MM292049;C=CCC(=C)CCCOC;DECVYVGMSOJARG-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292050;MM292050;C=C(CC=O)CCCOC;LSJDXDORKYRROA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292051;MM292051;C=CCC(=O)CCCOC;WFJLEUHLCJPRNE-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292052;MM292052;C=CCC(=C)CCNCC;DVQJDYNJTWIPQN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292053;MM292053;C=C(CC=O)CCNCC;JOAAXWIUEQKRKL-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292054;MM292054;C=C(CC#N)CCNCC;ZDLJKIVJJQZYTG-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292055;MM292055;C=CCC(=O)CCNCC;BVQQDLHPOFGLBY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292056;MM292056;C=CCC(=C)CCOCC;RKTBXBJFRRAQAL-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292057;MM292057;C=C(CC=O)CCOCC;NZHOAFUDHAMQPK-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292058;MM292058;C=CCC(=O)CCOCC;JBRYGFAKNFBIFO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292059;MM292059;C=CCC(=C)CNCCC;QNNYUEVKMJMUDL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292060;MM292060;C=C(CC=O)CNCCC;SJGQMJJTMRQHIG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292061;MM292061;C=CC(=O)NCC(F)C=C;ZGKGSUZRWQOCSG-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292062;MM292062;C=CCC(=C)COCCN;QGHYVJLJNCAEPX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292063;MM292063;C=CCC(=C)COCCF;QZOWYODHWLNHPM-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292064;MM292064;C=C(CC#N)COCCC;LQFMDKKUVPCEIC-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292065;MM292065;C=C(CC#N)COCCO;UWUVDSYIXFENPO-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292066;MM292066;C=CCC(=O)COCCC;NRGPLEATCDAIHS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292067;MM292067;C=CCC(=O)COCCO;VAVPKUJGOIFQPX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292068;MM292068;C=CCC(=C)COCOC;ZVCUATYVGUOIFW-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292069;MM292069;C=C(CC#N)COCOC;RGBCQJFIVARKRO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292070;MM292070;COCOCC(=O)CC#N;VDRSQNLBQKZTDH-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292071;MM292071;C=C(CCCCC)NC=N;HLPAMZYETIVIRF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292072;MM292072;C=C(CCCCN)NC=N;NSZBXGMAKUBMHF-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292073;MM292073;C=C(CCCCF)NC=N;ZSRBNCMMERNUMZ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292074;MM292074;C=C(CCCCN)NC=O;NLIIOBRONADRNO-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292075;MM292075;CCCCCC(=N)NC=N;RYLLHVQLHDDWDT-UHFFFAOYSA-N;141.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292076;MM292076;C=CC(=O)NC(CC)CF;XBBVPIRSQIWYET-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292077;MM292077;C=CNC(=O)CCCCC;CTBHJBYNPZEZBJ-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292078;MM292078;C=CNC(=O)CCCCN;ZXPYQDKDHFFRPY-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292079;MM292079;C=CC(=NN)OCC(N)=O;BONOOQZIZVNHEG-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292080;MM292080;NC(=O)C=CN(C=O)C=O;BJUKJQOPJWULBE-UHFFFAOYSA-N;142.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292081;MM292081;CCCCCC(=O)NC=O;IWOICHVWFDVGIZ-UHFFFAOYSA-N;143.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292082;MM292082;C=C(CCCNC)NC=N;AQKXROMPBNCHKX-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292083;MM292083;C=C(CCCNC)NC=O;GFKVODGEXHYKEI-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292084;MM292084;COCCCC(=N)NC=N;GOMIUYWGTLVDIL-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292085;MM292085;C=CC1(C=O)NC1C(N)=O;LYUMLRFOQSQPGP-UHFFFAOYSA-N;140.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292086;MM292086;C=NNC(=O)CCCCF;VOLCNSVDECSUOF-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292087;MM292087;C=C(CCNCC)NC=O;MKZPTYPWPBRWSJ-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292088;MM292088;CCOCCC(=O)NC=O;MXPQYFDGBKJDQE-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292089;MM292089;C=C(CNCCN)NC=N;YXFJHIVOBXLOHE-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292090;MM292090;C=C(CNCCO)NC=N;LJACHMHYIVJPDE-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292091;MM292091;C=C(CNCCC)NC=O;CMHMCQPBEPJBFM-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292092;MM292092;C=CNC(=N)CNCCN;WHANLYLGHRGANO-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292093;MM292093;C=CNC(=N)CNCCO;GKQWNAGHPCMNJM-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292094;MM292094;N=CNC(=N)CNCCN;NISVOTVPQXJMLG-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292095;MM292095;N=CNC(=N)CNCCO;BMJHEYAUYSWQRB-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292096;MM292096;C=CNC(=O)CNCCC;HYTRSEBMIXCAFQ-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292097;MM292097;CCCNCC(=O)NC=N;KBJDTQOPXZBNOO-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292098;MM292098;N=CNC(=O)CNCCN;VKMDHXGCLJEIEH-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292099;MM292099;C=C(COCCN)NC=N;NTXIUDDVQGVFIY-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292100;MM292100;C=C(COCCO)NC=N;CPUNCHUSWZJITQ-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292101;MM292101;C=C(COCCO)NC=O;VOLFMAQIYFWTKC-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292102;MM292102;C=C(COCCF)NC=O;DIGNBVLJOATFQU-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292103;MM292103;C=CNC(=N)COCCC;WOQLKXKOVXZRBQ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292104;MM292104;C=CNC(=N)COCCN;XDHNUNWYJLLRCK-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292105;MM292105;C=CNC(=N)COCCO;FVDFHKSEJANIAW-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292106;MM292106;C=CNC(=N)COCCF;VQHIYEDOFAXJEN-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292107;MM292107;N=CNC(=N)COCCN;CYGAFZHEAGKUOU-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292108;MM292108;N=CNC(=N)COCCO;CAVRCYRTPJJUPZ-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292109;MM292109;N=CNC(=N)COCCF;HUFBUOJSYPYESQ-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292110;MM292110;N=C(COCCN)NC=O;SHJPJDJFZYNUOM-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292111;MM292111;N=C(COCCO)NC=O;LGMUHMJSGOPLHX-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292112;MM292112;N=C(COCCF)NC=O;VOZUOHNCABLIAE-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292113;MM292113;C=CNC(=O)COCCF;HLHRVQADLJUBOB-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292114;MM292114;N=CNC(=O)COCCN;QZHDSPKMBYMHGO-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292115;MM292115;C=NOCCNC(=O)CC;QTLRSQWTNLTXBQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292116;MM292116;CCCOCC(=O)NC=O;IZUUHNXXEAFXRV-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292117;MM292117;O=CNC(=O)COCCO;SBMBDHKYDLUXKV-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292118;MM292118;O=CNC(=O)COCCF;CMVOTLWZMAUDLK-UHFFFAOYSA-N;149.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292119;MM292119;COCOCC(=N)NC=N;AAAOULWLDFBHFD-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292120;MM292120;COCOCC(=O)NC=O;YLUWWSOZTSCUNS-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292121;MM292121;C=NNC(=N)COCCN;URDBGFLIKIYBMM-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292122;MM292122;COC(=N)C(C=O)=CNO;FPRLSYRQLJSINW-UHFFFAOYSA-N;144.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292123;MM292123;C=NNC(=O)COCCN;ATBGRWKRQFFORW-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292124;MM292124;C=C(CCCCF)OC=O;RKFMFELCCJLMNP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292125;MM292125;C=COC(=O)CCCCC;LZWYWAIOTBEZFN-UHFFFAOYSA-N;142.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292126;MM292126;C=C(CC)N(C=N)C(N)=O;BGSDQXZESOWXGJ-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292127;MM292127;C=C(CCCNC)OC=O;VWTKORIDARSMNN-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292128;MM292128;C=C(CCNCC)OC=O;WPDZVPFXJBURPF-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292129;MM292129;C=COC(=C)CCOCC;WFRDSQQUFXCIIL-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292130;MM292130;C=COC(=O)CCOCC;ZUVQWYGIXNSGIV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292131;MM292131;C=NOC(=O)CCOCC;GMVKFGWOCJXBFK-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292132;MM292132;C=COC(=C)CNCCN;YWYXAHJCZGDZQE-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292133;MM292133;C=COC(=C)CNCCO;VOBAHFPSSGBGNU-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292134;MM292134;C=COC(=O)CNCCN;VXWWZXOBVRTUSQ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292135;MM292135;C=COC(=O)CNCCF;MZJMTXTXZXBXCQ-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292136;MM292136;C=NOC(=O)CNCCN;FBKWEOXGVCDFFN-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292137;MM292137;C=COC(=C)COCCO;HLRDQBDSOOZHGO-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292138;MM292138;C=C(COCCN)OC=O;DISPWTSGLCAVFT-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292139;MM292139;C=COC(=O)COCCC;CZTBARDYKCZKHP-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292140;MM292140;C=COC(=C)COCOC;KOXGIQSWCIZPIY-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292141;MM292141;C=NOC(=O)COCCC;AJFOBJFDZUWFBR-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292142;MM292142;C=NOC(=O)COCOC;RSXKBGCBJGEERP-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292143;MM292143;C=CCC(=N)NCCCC;RWXRXSZPCILLSU-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292144;MM292144;CCCCN=C(N)CC=O;GHRHYYVFSINZSD-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292145;MM292145;N#CCC(=N)NCCCO;AZVHKFDRIMFPJH-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292146;MM292146;CCCCNC(=O)CC#N;MGZNARROBKPUST-UHFFFAOYSA-N;140.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292147;MM292147;COCCNC(=N)CC#N;YXJXIXYRUMVJBP-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292148;MM292148;COCCNC(=O)CC#N;ADWODNNWVUWKOM-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292149;MM292149;C=CCC(=N)NNCCC;DUMSPFCANPCESX-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292150;MM292150;C=CCC(=N)NNCCO;CTJUEIQHZOAYQC-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292151;MM292151;CCCNNC(=N)CC#N;BPTMVKNDXPUJCS-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292152;MM292152;C=CC(=COC=O)C(N)=O;XOCWDJJSJQTSJM-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292153;MM292153;CCCNNC(=O)CC=O;DSYBLVADQLPWKZ-UHFFFAOYSA-N;144.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292154;MM292154;N#CCC(=O)NNCCO;QSPWJQCBNKEDCM-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292155;MM292155;C=CCC(=N)NOCCC;OALCJLDAQIADEK-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292156;MM292156;C=CCC(=N)NOCCN;GQTZJJKMCNBEQU-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292157;MM292157;C=CCC(=N)NOCCF;HPWKKQQOFHLVTL-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292158;MM292158;C=CCC(=O)NOCCO;RGUWYLICPDUVJN-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292159;MM292159;C=NN=CN(C)CC(=O)O;RZEHFHAQYQZPTM-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292160;MM292160;C=C(CC)N=C(N)C(=O)O;OCRYFTVRCVKNTL-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292161;MM292161;C=CNC(=N)NCCCN;ISPAZRFZBZNDMZ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292162;MM292162;C=CNC(=N)NCCCO;HJAVAHTZYBZYLS-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292163;MM292163;N=CNC(=N)NCCCN;CEVZFSKBWWPNON-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292164;MM292164;N=CNC(=N)NCCCO;MQMBTKYWCKOELR-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292165;MM292165;C=CNC(=O)NCCCC;OXWAMCAQBKBIIC-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292166;MM292166;C=CNC(=O)NCCCO;MRDRQTSOAMHTLZ-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292167;MM292167;N=CNC(=O)NCCCN;AKGIBDXLXLWOSE-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292168;MM292168;CC(=O)NCC=NN;ZWAVXJVKZPTCOC-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292169;MM292169;O=CNC(=O)NCCCO;HDSLEZNWMQSKGM-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292170;MM292170;C=CNC(=N)NCCNC;WWPVNUOKQRZXMR-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292171;MM292171;CNCCNC(=N)NC=N;BYKKFLJCAIRNRN-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292172;MM292172;CNCCNC(=O)NC=N;KUDBYFVVRWJLJD-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292173;MM292173;CNCCNC(=O)NC=O;HVSQZTIDFRRHAH-UHFFFAOYSA-N;145.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292174;MM292174;C=CNC(=N)NCCOC;RWLSMPLNMWEVFE-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292175;MM292175;COCCNC(=N)NC=N;QIJAUKYKMNBDFO-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292176;MM292176;COCCNC(=N)NC=O;CKSKFYMAQGZJQJ-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292177;MM292177;C=NNCC(=O)NC;ZEXIBWIEEFJMSG-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292178;MM292178;COCCNC(=O)NC=O;UXHXDJQGNKUQBL-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292179;MM292179;C=NNC(=N)NCCCN;DYLLZOWBHIHMLJ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292180;MM292180;C=NNC(=O)NCCCN;TWUODPUHTJFHTL-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292181;MM292181;C=NNC(=N)NCCOC;WOTVGXLVINOAHZ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292182;MM292182;C=CNC(=N)NNCCN;INYOUUIABUOLIH-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292183;MM292183;C=CNC(=N)NNCCO;MKAPXAHEODMVSX-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292184;MM292184;N=CNC(=N)NNCCN;LYPQAJJMKJFJAL-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292185;MM292185;N=CNC(=N)NNCCO;ZXWGIBXRBVNXGJ-UHFFFAOYSA-N;145.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292186;MM292186;N=C(NC=O)NNCCN;CWUDJBJPMBOMQM-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292187;MM292187;C=CNC(=O)NNCCN;KAFQWPOSUVLOJJ-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292188;MM292188;N=CNC(=O)NNCCN;LQXFOBMLBNUJIX-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292189;MM292189;NCCNNC(=O)NC=O;XNWOBYZGTNEDJH-UHFFFAOYSA-N;146.15;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292190;MM292190;C=NNC(=N)NNCCF;DORWJZBMLADDTR-UHFFFAOYSA-N;147.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292191;MM292191;C=NN1CC1C(N)=O;QZYWCVJUAKDEFI-UHFFFAOYSA-N;113.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292192;MM292192;C=NNC(=O)NNCCN;KOJLLDVYGHAHGF-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292193;MM292193;C=NNC(=O)NNCCO;CDVYZGLIIGEXDR-UHFFFAOYSA-N;146.15;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292194;MM292194;C=CNC(=N)NOCCN;XTAQGPHIQUAKAJ-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292195;MM292195;C=CNC(=N)NOCCO;VDNCXFWOBVCUEK-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292196;MM292196;N=CNC(=N)NOCCN;FSBOGDGHPZZWFG-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292197;MM292197;N=CNC(=N)NOCCO;WSCPWVBCAYWZAA-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292198;MM292198;N=CNC(=N)NOCCF;CAWBZMGEIZZCHH-UHFFFAOYSA-N;148.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292199;MM292199;N=C(NC=O)NOCCN;OHPZWSMNWXXGNY-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292200;MM292200;C=CNC(=O)NOCCO;GABORYUONKFZQS-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292201;MM292201;N=CNC(=O)NOCCN;CQFRJXCWKINZOR-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292202;MM292202;CC(C)=NOCC(N)=O;AWESNZIAPOLFJA-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292203;MM292203;NCCONC(=O)NC=O;CXLWWRMPYCQSPS-UHFFFAOYSA-N;147.13;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292204;MM292204;C=CNC(=N)NOCOC;IGOOWRDHDOEKDI-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292205;MM292205;C=CNC(=O)NOCOC;VHCDJMLYGRNDLK-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292206;MM292206;C=NNC(=N)NOCCN;ATOADNYQLJQJHN-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292207;MM292207;C=NNC(=O)NOCCN;GIOMISFXZYLXDU-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292208;MM292208;C=NNC(=O)NOCCO;RZPIMVFMBSVHIN-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292209;MM292209;C=NOC(=N)NCCCN;OBIICNNEXVTEJW-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292210;MM292210;NC=NOC(=O)CCO;HTEQUAZEBTZDOA-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292211;MM292211;C=NOC(=N)NCCOC;UJZHOZDALGGNKN-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292212;MM292212;C=NOC(=O)NNCCO;AJSAUBSTBWZPPZ-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292213;MM292213;C#CC(=CC=C)C(N)=O;LXILSCZGXHALRX-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292214;MM292214;Cn1c(N)nc(=O)n1N;WSBLXNWMGDHXGV-UHFFFAOYSA-N;129.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292215;MM292215;N=C(C(F)C=O)N1CC1;KXMOBJOIIPJFFL-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292216;MM292216;C=NOC(=N)NOCCN;ZKIKSYOFPYQODM-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292217;MM292217;CNC(C)(C#N)CC(N)=O;CLJILAQJAKQMMO-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292218;MM292218;Cc1c(NN)n[nH]c1O;UKTVLIYMZXDSPV-UHFFFAOYSA-N;128.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292219;MM292219;C=CCC(=C)OCCCC;ZBYHULGVKNMBDW-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292220;MM292220;C=CCC(=C)OCCCN;MOPVZFPXZWKUJP-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292221;MM292221;C=C(CC#N)OCCCC;AUXURQXGUNLDKL-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292222;MM292222;C=CCC(=O)OCCCC;IMTBHSQAGDZTQC-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292223;MM292223;C=CCC(=O)OCCCO;YQYVXVWLXDPRRF-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292224;MM292224;C=CCC(=C)OCCNC;FCLOGAGNIQTNSI-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292225;MM292225;C=C(CC=O)OCCNC;GCDAFILDFBNRNI-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292226;MM292226;C=CCC(=O)OCCNC;RTJCMIBPTKGUTC-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292227;MM292227;C=CCC(=C)OCOCC;FLVSZTHRKDNJSG-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292228;MM292228;C=CCC(=O)OCOCC;JKOYNJVSTBWPHI-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292229;MM292229;C=C(NC=N)OCCCO;FYIXMOHCBMCTRA-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292230;MM292230;C=C(NC=O)OCCCC;PUZXSFUSNHBONE-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292231;MM292231;C=C(NC=O)OCCCF;KMKDUUNXUVBYKK-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292232;MM292232;N=CNC(=N)OCCCN;UHNYXSAAHRBEFQ-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292233;MM292233;C=C(NC=O)OCCNC;VTEOUFSHHPYNSQ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292234;MM292234;CNCCOC(=N)NC=N;BQYCTHJVPDSCMT-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292235;MM292235;C=C(NC=N)OCCOC;RFWQTXZVSFYNLN-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292236;MM292236;COCCOC(=N)NC=O;HUWMXKLHDIGVOE-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292237;MM292237;C=NNC(=N)OCCCN;YWASFASFYLZTPQ-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292238;MM292238;COC(C)CN(N)C(N)=O;RIGIWKCOBRJGHE-UHFFFAOYSA-N;147.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292239;MM292239;C=NNC(=N)OCCNC;SAVLXZNUEFQPEW-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292240;MM292240;CCOCOC(=N)NC=O;MZLHPICXLDZRCO-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292241;MM292241;CCOCOC(=O)NC=N;CEFPCUGHFCGEPD-UHFFFAOYSA-N;146.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292242;MM292242;C=NNC(=O)OCOCC;PTCBMBNELVJXSU-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292243;MM292243;C=COC(=O)OCCCC;CMXLFKOMNGATQV-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292244;MM292244;C=COC(=O)OCCOC;IJFIXRWZIYDBET-UHFFFAOYSA-N;146.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292245;MM292245;C=COC(=O)OCOCC;RLYUANRXHCWYRE-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292246;MM292246;C=NOC(=O)OCOCC;OJPOTGPBRIQECL-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292247;MM292247;C=CCCCC(=C)CC=C;QBIMJIIKAAJRKW-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292248;MM292248;C=CCC(=C)CCCC=O;FMQGXRXDYLXADF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292249;MM292249;C=CCC(=C)CCCC#N;WOBNNHVOCUQGGG-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292250;MM292250;C=CCCCC(=C)CC=O;UZTDWHBPYHNVLB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292251;MM292251;C=CCCCC(=C)CC#N;CNMMAPGHMJWOLS-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292252;MM292252;C=C(CC=O)CCCC=O;XEFAKZSXEBQXHX-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292253;MM292253;C=C(CC#N)CCCC=O;VMICVTIQIOCRNR-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292254;MM292254;C=C(CC#N)CCCC#N;OCXHZEGRFUUTON-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292255;MM292255;C=CCCCC(=O)CC=C;BAWOHOYXFCFHQR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292256;MM292256;C=CCC(=O)CCCC=O;SMQMVXSKNNMBOH-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292257;MM292257;C=CCC(=C)CCNC=N;YIXCPUZFJMMQRI-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292258;MM292258;C#CC(F)C(N)=CC(N)=O;SYHLZNQJRQXKLQ-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292259;MM292259;C=C(CC#N)CCNC=O;PKFRMAWSUCRHJQ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292260;MM292260;C=CCC(=O)CCNC=N;PKPVXAYATVSTII-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292261;MM292261;N#CCC(=O)CCNC=N;XVYUNGBQKAYVHW-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292262;MM292262;N#CCC(=O)CCNC=O;MNYXLGPABYZTFT-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292263;MM292263;C=CCC(=C)CCOC=C;QVUBBYDLUSBXDI-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292264;MM292264;C=CCC(=C)CCOC=O;YCSYHVNEBLEENH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292265;MM292265;C=COCCC(=C)CC=O;LYWDCQFBYRPHLV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292266;MM292266;C=CCC(=O)CCOC=C;FZYLAROJUYNMJN-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292267;MM292267;C=CCC(=C)CCON=C;ACVKXIQHOMAOCF-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292268;MM292268;C=CCNCC(=C)CC=C;ILURWTPRSIHNCO-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292269;MM292269;C=CCC(=C)CNCC#N;UQBPHDABBRMCDT-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292270;MM292270;C=CCNCC(=C)CC=O;QXMYCYFUNUKQFV-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292271;MM292271;CC#CC(=CC(N)=O)OC;OZHQRIYVNWSBCR-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292272;MM292272;C=C(CC#N)CNCC#N;BVOQXJDTPJYUDI-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292273;MM292273;C=NOCOC(=O)CCO;LWZGUFIEOQUAKU-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292274;MM292274;CON=COC(=O)CCO;JPQQVNIQQFYSMP-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292275;MM292275;C=CCC(=C)CNNC=N;STQIJWJKETYOIO-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292276;MM292276;COC=NOC(=O)CCO;XTLDMEWHEGYMEY-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292277;MM292277;C=C(CC=O)CNNC=N;SRDCSTLVFLUMQH-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292278;MM292278;C=C(CC#N)CNNC=N;UEVAFIDGMHWYSX-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292279;MM292279;C=CC=NOC(=O)CCO;YQYAUAXTCVJYBV-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292280;MM292280;C=CCC(=O)CNNC=N;MWFXBQXWDKFRHH-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292281;MM292281;CC(C(N)=O)=C(C=O)C=O;PVTVYECZOKIOLI-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292282;MM292282;N#CCC(=O)CNNC=N;XMXOIGRFYOVABA-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292283;MM292283;C=CCOCC(=C)CC=C;ITYPRFXPJDUUBU-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292284;MM292284;C=CCC(=C)COCC#N;DIKSHBACJFWGOQ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292285;MM292285;C=CCOCC(=C)CC=O;YBWRQGDLJFJPML-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292286;MM292286;C=CCOCC(=C)CC#N;PEZZLXOKHCDPGX-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292287;MM292287;C=C(CC#N)COCC=O;DLSODMFOBDTXOK-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292288;MM292288;C=C(CC#N)CONC=O;SZZNRBAECQMMSJ-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292289;MM292289;N#CCC(=O)CONC=N;DVZKSERWHAORLY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292290;MM292290;N#CCC(=O)CONC=O;AGGFRTGJERLWMF-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292291;MM292291;C=C(CCCC=O)NC=N;SEBGKGICZSKBRC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292292;MM292292;C=CCCCC(=N)NC=N;CRNZLSVPYRPIKG-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292293;MM292293;N=CNC(=N)CCCC=O;SKIOPMKSVNJIFH-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292294;MM292294;C#CC=NOC(=O)C(C)=O;LMZMAYAMBNSOCU-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292295;MM292295;CNN=C(C=CN)C(N)=O;YFUKOPJBRQPYPO-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292296;MM292296;C=CCCCC(=O)NC=C;QYWHDZAYFBDYIZ-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292297;MM292297;Cc1nc(N)n(C)c(=O)n1;LUBBKQWDEWUJAO-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292298;MM292298;C=C(CCNC=N)NC=N;ZUMUDKAESUVZPG-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292299;MM292299;C=CNC(=N)CCNC=O;HGMUBHZPUCZXQW-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292300;MM292300;N=CNCCC(=N)NC=N;XSCJZLXEHBJFIZ-UHFFFAOYSA-N;141.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292301;MM292301;N=CNCCC(=O)NC=N;LZPDRFKKPLPQNB-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292302;MM292302;C=NNCCC(=C)NC=N;LAWYBVBATJBGSR-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292303;MM292303;C#CC(F)C(C)CNC=O;OBNNKXMCWGGCFU-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292304;MM292304;C=CNC(=N)CCNN=C;PJLMJMPFSVSNHA-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292305;MM292305;C#CC=CCNC(=O)C=C;DQTMJQGDYQPDDU-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292306;MM292306;C=COCCC(=N)NC=N;IHAYVVTYHIKLTR-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292307;MM292307;C=COCCC(=O)NC=O;KNOHXHJWQHOUDK-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292308;MM292308;C=CC(=NNC)C(=O)CF;UIXQBABNVKAMDE-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292309;MM292309;CNC(CNC=O)=NOC;FQIGYTKNLVRWCE-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292310;MM292310;CNN(CCOC)C(N)=O;QYKDGMJCOIMZEQ-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292311;MM292311;C=NNC(=O)CCOC=O;BRKQXPCSIQDCJH-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292312;MM292312;C=NNCC(OC)C(N)=O;VLOATGSAMOPBEQ-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292313;MM292313;C#CC(C#CCCO)=NN;WGDHEGCRMHHKTA-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292314;MM292314;C=CCNCC(=N)NC=C;QJFBOBBQHKMHPM-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292315;MM292315;C=CNC(=N)CNCC#N;BQAOVICDZYRKSF-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292316;MM292316;N#CCNCC(=N)NC=N;AMOJQFPQBZZPIM-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292317;MM292317;CN=C(OC)C(C)=CNO;JXEUGLANWUUTJT-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292318;MM292318;Nc1conc1N;IYBPJLBFCXLNMF-UHFFFAOYSA-N;99.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292319;MM292319;NC(=O)C=CC(N)=O;BSSNZUFKXJJCBG-UHFFFAOYSA-N;114.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292320;MM292320;N=C(CNNC=O)NC=O;CEMHGJHGLWUIHM-UHFFFAOYSA-N;144.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292321;MM292321;C=C(COCC=O)NC=O;HUMXJFMVLQFKMA-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292322;MM292322;C=CCOCC(=N)NC=N;KEQIAQMNHDVLDP-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292323;MM292323;N#CCOCC(=N)NC=N;NKHSOJJZCKFGFF-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292324;MM292324;N#CCOCC(=N)NC=O;SRLGMEXJZSIGPV-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292325;MM292325;CCNC(=O)C1CN1;BYMABDMGASUGKZ-UHFFFAOYSA-N;114.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292326;MM292326;C=NNC(=N)C=CNO;PHEPGHPATSIFIO-UHFFFAOYSA-N;128.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292327;MM292327;O=CCOCC(=O)NC=O;IVBFORPETRHAOF-UHFFFAOYSA-N;145.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292328;MM292328;N#CCOCC(=O)NC=O;HPDRLMPWQPASQT-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292329;MM292329;CC=CC(=NN)C(N)=O;GMGZUHVDAFXGNO-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292330;MM292330;N=CNOCC(=N)NC=N;IYDRECKKOWOFLF-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292331;MM292331;C=CNC(=O)CONC=N;OIBFDZGVMSTYNG-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292332;MM292332;C=NNC(=N)CONC=O;KTBWKEVCTVVNAW-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292333;MM292333;C=CCCCC(=C)OC=C;LWHFBOVBJTTYFS-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292334;MM292334;C=C(CCCC=O)OC=O;IOIYYALNHLQFJS-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292335;MM292335;C=CCCCC(=O)OC=C;MNBLZVFKOGJAMS-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292336;MM292336;C=CCCCC(=O)ON=C;YALCENFLNBQHDR-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292337;MM292337;C=COC(=C)CCNC=N;XUAQNQPPSPWHMD-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292338;MM292338;Cc1cc(NC=N)n[nH]1;XUFOYXKRYZQBFY-UHFFFAOYSA-N;124.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292339;MM292339;C=COC(=O)CCNC=N;JQQHYFGPQFZHDK-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292340;MM292340;C=COC(=O)CCNC=O;FHXUDSGVBRMGNA-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292341;MM292341;C=COC(=O)CCON=C;WKIVZQDGTWRWPO-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292342;MM292342;C=COC(=C)CNCC#N;RRHISWPUBOWMAP-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292343;MM292343;C=C(C)CC(F)=CC(N)=O;QAXVSUXJDLEUOX-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292344;MM292344;C=C(CNNC=O)OC=O;PMMVRTQNPLANPD-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292345;MM292345;C=CCOCC(=C)OC=C;FLBNWRCDTIPBMG-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292346;MM292346;C=COC(=C)COCC#N;YMJHNFSZHJAPSJ-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292347;MM292347;C=COC(=O)COCC=O;TYVXRHDRQBSZPA-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292348;MM292348;C=COC(=O)CONC=O;BZKLRYAIOOKRQX-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292349;MM292349;C=NOC(=O)CONC=O;QUBNWHROJKJEKG-UHFFFAOYSA-N;146.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292350;MM292350;N#CCC(=N)NCCC=O;KWPOOKLPPLQUFQ-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292351;MM292351;N#CCCNC(=N)CC=O;QHFSAWGBFNRRQT-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292352;MM292352;C=CCC(=O)NCCC#N;CSOQFSJQHBDMDC-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292353;MM292353;N#CCC(=O)NCCC=O;VPISLTPYSPSEEA-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292354;MM292354;C=CCC(=O)C=NN(C)C;PCMNCKZYDSNSOT-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292355;MM292355;N#CCC(=O)NNCC=O;NGBLVQMNJUBJHG-UHFFFAOYSA-N;141.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292356;MM292356;N=c1onc(O)n1N;QEAJLWCZEIBGCN-UHFFFAOYSA-N;116.08;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292357;MM292357;N=CNC(=N)NCCC=O;HMQKHXJXMLHESR-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292358;MM292358;N#CCCNC(=N)NC=O;QWRMSRPXBFWHTE-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292359;MM292359;C=CCCNC(=O)NC=C;HKSNEBGDWMSYHX-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292360;MM292360;O=CCCNC(=O)NC=O;KUMBGZCDTPOHHD-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292361;MM292361;C=CCCNC(=N)NN=C;BKQUILUUPPTPEY-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292362;MM292362;C=NNC(=N)NCCC=O;PTUNDYOIEVBRKH-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292363;MM292363;C=CNC(=N)NNCC#N;HINGNUILZOBLAM-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292364;MM292364;N=CNC(=N)NNCC=O;WGUVPHXWFWGRSZ-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292365;MM292365;N#CCNNC(=N)NC=N;IIOBQGWDLCCKHN-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292366;MM292366;N#CCNNC(=N)NC=O;JTJGRGHSXGNJIY-UHFFFAOYSA-N;141.13;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292367;MM292367;N#CC=C(N)C=CC(N)=O;FIZMTPBIVPRUPM-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292368;MM292368;C=CNC(=O)NNCC#N;FCWQTZYTQVCCEM-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292369;MM292369;CN(C)C(C#N)CC(N)=O;VLBUTJFXYLOJJN-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292370;MM292370;O=CCNNC(=O)NC=O;AXZWBCNSPIAGIX-UHFFFAOYSA-N;145.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292371;MM292371;C=NNC(=O)NNCC#N;MISRJJIPASEZLZ-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292372;MM292372;C=CNC(=N)NOCC=O;SZLUYYHHOHUAGV-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292373;MM292373;C=CCONC(=N)NC=N;BRCBPBRXXKWNIJ-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292374;MM292374;N=CNC(=N)NOCC=O;DGEVUQWRDCQLTK-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292375;MM292375;C=CCONC(=O)NC=C;BYRBKTGASWERHJ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292376;MM292376;C=CNC(=O)NOCC=O;ROSIYOGTMWRATP-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292377;MM292377;N=CNC(=O)NOCC=O;RHUSKIZRCDRYNF-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292378;MM292378;N#CCONC(=O)NC=N;HXCJSALVOHBGQY-UHFFFAOYSA-N;142.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292379;MM292379;O=CCONC(=O)NC=O;GAOXPADHISEULM-UHFFFAOYSA-N;146.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292380;MM292380;C=NNC(=O)NOCC=O;MZNGWIGLVIALJY-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292381;MM292381;COCCCN(N)C(N)=O;XRVJZPNIESOYKP-UHFFFAOYSA-N;147.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292382;MM292382;COCCNN(C)C(N)=O;ZIEBKQFZQYCEDE-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292383;MM292383;CC(F)=C(C(N)=O)C(C)C;QMKILWPCNVAGNY-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292384;MM292384;Cn1oc(=N)nc(O)c1=N;ODUGCNDXRWDZRK-UHFFFAOYSA-N;142.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292385;MM292385;C=CCCOC(=C)CC=C;ZQOGHTYCRDEBQJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292386;MM292386;C=COCOC(=C)CC#N;BXQRBIVMRSBCHB-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292387;MM292387;C=COCOC(=O)CC=O;LSZKAQDPYBARID-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292388;MM292388;N#CCC(=O)OCOC=O;CUNANXWGBYOOPX-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292389;MM292389;C=CCCOC(=O)NC=C;BIHJDWWSJYIQFX-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292390;MM292390;C=CNC(=O)OCCC#N;QOUPQCRLSDZHFF-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292391;MM292391;C=CCCOC(=O)NC=N;ZXPCJZLNKWJYQS-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292392;MM292392;N#CCCOC(=O)NC=N;DEIDHHHEHGYCON-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292393;MM292393;N#CCCOC(=O)NC=O;NSCLLJPHLYJRHI-UHFFFAOYSA-N;142.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292394;MM292394;C=CNC(=N)OCOC=C;RXGDMWUTCDARIU-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292395;MM292395;N=C(NC=O)OCOC=O;LRVJSJPTMZYYRV-UHFFFAOYSA-N;146.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292396;MM292396;C=COCOC(=O)NC=O;QGEPQFFVJOSFGN-UHFFFAOYSA-N;145.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292397;MM292397;O=CNC(=O)OCOC=O;CVEPFEUANOHLNU-UHFFFAOYSA-N;147.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292398;MM292398;Cn1c(=O)cc(N)[nH]c1=N;OLMPHFHPDJLTFY-UHFFFAOYSA-N;140.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292399;MM292399;C=NOCOC(=O)NC=N;XPRQYROMDBXCMX-UHFFFAOYSA-N;145.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292400;MM292400;C=NOCOC(=O)NC=O;YITLBMLCMITTJF-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292401;MM292401;C=COCOC(=O)OC=C;CHFZQJNGWMVKJP-UHFFFAOYSA-N;144.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292402;MM292402;C#CCCCC(=C)CC=C;UHVKUFIKHCUAOD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292403;MM292403;C#CCCCC(=C)CC=O;ZNNRNZMUJZIHLG-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292404;MM292404;C#CCNCC(=C)CC=C;ICUOINOZDLSLFD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292405;MM292405;C#CCOCC(=C)CC=O;GTMZAOIIZSWZAC-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292406;MM292406;C#CCCCC(=C)NC=N;XPIUDVHEZTYLCN-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292407;MM292407;C#CCOCC(=C)NC=N;NFJCNHMKQALCEN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292408;MM292408;C#CCOCC(=C)NC=O;SVDCTPNAJTXUSH-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292409;MM292409;C#CCOCC(=N)NC=N;SAFYMNOEOSCIEH-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292410;MM292410;C#CCOCC(=N)NC=O;PJBOXUIRPHNBTA-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292411;MM292411;C=NOC1CC(NC=O)C1;PXAFLMCUPHRRDG-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292412;MM292412;C#CCCCC(=C)OC=O;ZRGZIWGVNZYCLH-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292413;MM292413;C#CCNCC(=O)OC=C;ARKBEHHFRMWSGI-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292414;MM292414;C#CCOCC(=O)OC=C;YFVVTTLBVXLPHR-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292415;MM292415;C#CCCNC(=N)CC=C;WKCMEZMDOQOSDZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292416;MM292416;C#CCCNC(=N)CC#N;ZIPWQUKQPIMUSO-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292417;MM292417;C#CCCNC(=O)CC=O;WLQWQNRDPBWPAZ-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292418;MM292418;C#CCCNC(=O)CC#N;WNSZGOSWANEAJY-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292419;MM292419;C#CCNNC(=O)CC=O;BFDSCOSQKJSCKB-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292420;MM292420;C#CCNNC(=O)CC#N;FKNLXWGLVYNFHY-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292421;MM292421;C#CCCNC(=N)NC=N;MHMFDENLMXTQOZ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292422;MM292422;C#CCCNC(=O)NC=C;SVCVPECMNPZSAF-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292423;MM292423;C#CCCNC(=O)NC=O;UFZXICFTJQMSTK-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292424;MM292424;C#CCCNC(=O)NN=C;XGJGGNXWIPCLSL-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292425;MM292425;C#CCNNC(=N)NC=N;PFRQVQZQZRGHDV-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292426;MM292426;C#CCNNC(=N)NC=O;LHOBIEDTFAVVKB-UHFFFAOYSA-N;140.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292427;MM292427;C#CCNNC(=O)NC=O;UWKFKMCLNIKDFW-UHFFFAOYSA-N;141.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292428;MM292428;C#CCONC(=N)NC=C;RXDMOWWRWKCNMH-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292429;MM292429;C#CCONC(=N)NC=N;HLKUTYBMIWHVMY-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292430;MM292430;C#CCONC(=O)NC=C;FWGWXKVRJOTFBA-UHFFFAOYSA-N;140.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292431;MM292431;C#CCONC(=O)NC=N;YFVQQYXJNDLTBE-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292432;MM292432;C#CCONC(=O)NC=O;SQJXPLPHJRFLJG-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292433;MM292433;C#CCCOC(=C)CC=C;ZEPQIJBXGDAMFH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292434;MM292434;C#CCCOC(=C)NC=N;GIZABCYMFQGYIN-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292435;MM292435;C#CCCOC(=C)NC=O;HSQXVNOAZAPRMX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292436;MM292436;C#CCCOC(=N)NC=O;HSCHCXCIAGUAJS-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292437;MM292437;C#CCCOC(=O)NC=N;VNZZOKNPDXJNED-UHFFFAOYSA-N;140.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292438;MM292438;C#CC1(C#C)CC(=O)N1N;QOBUQSWZBDHLSD-UHFFFAOYSA-N;134.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292439;MM292439;C#CCCOC(=O)OC=C;XOVLJCMHIPIPPF-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292440;MM292440;C#CCC(=C)CCCCC;QFMSFBGLVISAQH-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292441;MM292441;C#CCC(=C)CCCCN;FMOZMNYVEABCCZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292442;MM292442;C#CC1(C=C)NC1C(N)=O;IUAFGXWOHYXXFP-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292443;MM292443;C#CCC(=C)CCCCF;PNODIAXBOVRRHI-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292444;MM292444;C#CCC(=O)CCCCC;BKEGPAXKAGQKBC-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292445;MM292445;C#CCC(=O)CCCCF;FYYMXAKSCYZOFX-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292446;MM292446;C#CCC(=C)CCCOC;COMDEFAMCKJQEA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292447;MM292447;C#CCC(=O)CCCOC;WNVAHJJSYQNISR-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292448;MM292448;C#CCC(=C)CCNCC;WKRKUIJYVQHCFD-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292449;MM292449;C#CCC(=C)CCOCC;HERYBGFHECMJIU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292450;MM292450;C#CCC(=O)CCOCC;VYKSSLHGXADJFH-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292451;MM292451;C#CCC(=C)CNCCC;MKMCHQRRSPDKQR-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292452;MM292452;C#CCC(=C)COCCC;GYOYNEJOBFNFBV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292453;MM292453;C#CCC(=C)COCCN;QFQCCDHUCCREMX-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292454;MM292454;C#CCC(=C)COCCO;ZBKRGIDRKCWTGA-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292455;MM292455;C#CCC(=C)COCCF;IFWDEFFKVFZVIZ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292456;MM292456;C#CCC(=O)COCCC;XIMIQIOPYQYSHX-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292457;MM292457;C#CCC(=O)COCCO;JFPQMEXBTVHNSN-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292458;MM292458;C#CCC(=C)COCOC;KVUDDNIGFMXIPF-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292459;MM292459;C#CCC(=N)NCCCC;UOSAKXAKJCYBFA-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292460;MM292460;C#CCC(=O)NCCOC;DSDHXUUVQJCNKL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292461;MM292461;C#CCC(=N)NNCCO;NIQMXENPZDTCPF-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292462;MM292462;C#CCC(=N)NOCCN;LUUSLJIHVWULLY-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292463;MM292463;Cn1[nH]c(C#N)nc1=O;VOZNTMGFCFUBKG-UHFFFAOYSA-N;124.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292464;MM292464;CCCC(C(N)=O)C(=O)O;MCANQXNXHKXBML-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292465;MM292465;C=CC(=C)OCC(=O)O;OGYKWLGNNWPJLU-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292466;MM292466;C#CCC(=C)OCCCN;SGWGVUGKQQORMZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292467;MM292467;C#CCC(=C)OCCCO;XOEXUUWYRIPRNY-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292468;MM292468;C#CCC(=O)OCCCC;JEGPTIUICIDDMV-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292469;MM292469;C#CCC(=C)OCCOC;OQILTKYBNKDAMS-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292470;MM292470;C#CCC(=C)OCOCC;YNIIPRPSAMMOPU-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292471;MM292471;C#CCC(=O)OCOCC;CILHJYKIFTXCDN-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292472;MM292472;C#CCC(=C)CCCC=C;CIFLHQVTKHYYEL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292473;MM292473;C#CCC(=C)CCCC=O;MCLYZNTVTWQTEK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292474;MM292474;C#CCC(=O)CCCC=C;UYKODGIMLFMXJV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292475;MM292475;C#CCC(=C)CCNC=N;ZQVRXKFRZKDGLB-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292476;MM292476;CNC(COC)C(=O)C#N;GOJFGWQGGRWARU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292477;MM292477;C#CCC(=C)CCNN=C;DVFSEWNFGBQRCL-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292478;MM292478;C#CCC(=C)CCOC=C;HCWNMJIWTATPAT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292479;MM292479;C#CCC(=C)CCOC=O;QFSRXBKTXBMACD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292480;MM292480;C#CCC(=O)CCOC=C;AYAGTZVNFXLDMR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292481;MM292481;C#CCC(=C)CCON=C;RFVLDRNJAAFHPX-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292482;MM292482;C#CCC(=C)CNCC=C;HPUJINZDVUZDBG-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292483;MM292483;C#CCC(=C)CNCC#N;RPOHKBLRAAIJRE-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292484;MM292484;NN=C(C#CCCO)NN;WJFBCKLGOIDGON-UHFFFAOYSA-N;142.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292485;MM292485;CCN=C1CN(C=O)C=N1;WSBVMPUGYNJPEJ-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292486;MM292486;C#CCC(=O)CNNC=N;ZBWZFVQSMRROGV-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292487;MM292487;C#CCC(=O)CNNC=O;ISWLDBPNFSFKDB-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292488;MM292488;C#CCC(=C)COCC=C;BPJCVQCHKOHKBX-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292489;MM292489;C=CCC(C)=CC#CCF;XQRLSQOUKIQGNF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292490;MM292490;CCC#CC=C(C)CC=O;RNDFBNFOHZOVSJ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292491;MM292491;CCC#CC=C(C)CC#N;PHBNCPJESXFFSU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292492;MM292492;CC(=CC#CCF)CC#N;WXHJMAWFQOIYMU-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292493;MM292493;C=CCC(F)=CC#CCN;ONJUTUCDLMFSTE-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292494;MM292494;C=CCC(F)=CC#CCO;QBVHOPKDCZDRHN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292495;MM292495;O=CCC(F)=CC#CCO;GRDXMWWYSNBLPM-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292496;MM292496;N#CCC(F)=CC#CCO;FEMLSRTWMUVODX-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292497;MM292497;CCC#CC=C(C)NC=N;KCELGQYMCPJWMH-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292498;MM292498;CC(=CC#CCF)NC=N;NWKALWUZFMJMGZ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292499;MM292499;CCC#CC=C(C)NC=O;QGYNCHPJIDMRPZ-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292500;MM292500;CC(=CC#CCO)NC=O;MTQSKANERQZUQJ-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292501;MM292501;CC(=CC#CCF)NC=O;NHKDOTIRPWHTMX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292502;MM292502;C=COC(C)=CC#CCC;YGJOFBIOYJJKGY-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292503;MM292503;C=COC(C)=CC#CCN;QELCMISXUFRNDO-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292504;MM292504;C=COC(C)=CC#CCO;NGIHVXKSMLDXFS-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292505;MM292505;C=COC(C)=CC#CCF;OCRAXIBHKAMBLZ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292506;MM292506;CCC#CC=C(C)OC=O;ILBCRUTVMQMHHF-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292507;MM292507;C=CC#CC=C(C)CC=C;BEUJHEFJFZAIOY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292508;MM292508;C=CCC(C)=CC#CC#N;PDMRTIMCYZTUPJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292509;MM292509;C=CC#CC=C(C)CC#N;ZMKUQFQUZOEBGR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292510;MM292510;CC(=CC#CC#N)CC=O;HWZBANZPPNUFPA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292511;MM292511;C=CCC(F)=CC#CC#N;BAXCNUAGZPZPAK-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292512;MM292512;C=CC#CC=C(F)CC=O;UZULLJPHCJNZTD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292513;MM292513;N#CCC(F)=CC#CC=O;AWGJEKHJYOUVMW-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292514;MM292514;C=CC#CC=C(C)NC=N;NALMCLVJUIBDEI-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292515;MM292515;CC(=CC#CC=O)N=CN;BIOQWCORTVVEDM-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292516;MM292516;CC(=CC#CC=O)NC=O;PHPYLTNDNKWYAK-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292517;MM292517;CC(=CC#CC#N)NC=O;DCICWMWLLRNJJG-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292518;MM292518;C=COC(C)=CC#CC=O;MWMHACOVMGSXPM-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292519;MM292519;C=CC#CC=C(C)OC=O;GDPDHWDDDPSCRW-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292520;MM292520;CC(=CC#CC#N)OC=O;OHIVQUHHSZJTBA-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292521;MM292521;C#CC#CC=C(C)CC=C;SYUCQQDHKXDYGX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292522;MM292522;C#CC#CC=C(C)CC#N;OPJCHVUXWCGQGR-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292523;MM292523;C#CC#CC=C(C)NC=O;UAOPRWKGPJGFOV-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292524;MM292524;C#CC#CC=C(C)OC=C;WXZDRMUMENXNSO-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292525;MM292525;C#CC#CC=C(C)OC=O;VLQBSUPKVDYGQM-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292526;MM292526;C#CCC(C)=CC#CCC;CBYROPRKINMQKZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292527;MM292527;C#CCC(C)=CC#CCO;OYFPKAHYMLBRSG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292528;MM292528;C#CCC(C)=CC#CCF;LEXLRLNHPVAPMM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292529;MM292529;C#CCC(F)=CC#CCF;IFQHVBKTVFACBO-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292530;MM292530;C#CCC(C)=CC#CC=C;MRWWYDXIMWWVHS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292531;MM292531;C#CCC(C)=CC#CC#N;FZRXSKWYUYNTLA-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292532;MM292532;C#CCC(F)=CC#CC#N;KMAHAVHKAOQJFE-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292533;MM292533;C#CC#CC=C(C)CC#C;FZEJXGBAKXYOLN-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292534;MM292534;C#CC#CC=C(F)CC#C;YTFGXQONHPPEPS-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292535;MM292535;CC=CC(C)=CC#CCC;CXUKUVMVQWJTGD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292536;MM292536;CC=CC(C)=CC#CCN;UEDLDPOWNGGIPU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292537;MM292537;CC=CC(C)=CC#CCO;NFUUBWZDGVRJIU-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292538;MM292538;CC=CC(C)=CC#CCF;NIHFPFKVVMICFZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292539;MM292539;CCC#CC=C(C)C=CF;ZFSSJYMLJYBUHK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292540;MM292540;CC(C=CF)=CC#CCO;XXEZNDSXCCFSKK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292541;MM292541;CCC#CC=C(C)C=NN;AVOCMLHNMQBLQL-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292542;MM292542;C=NOC(C)CCCO;RQRXXPJTSPPTRL-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292543;MM292543;CCC#CC=C(C)C=NO;KVLVWKYHHVHOCG-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292544;MM292544;CC(C=NO)=CC#CCF;HXPPCFNHNCNHQI-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292545;MM292545;C=CC#CC=C(C)C=CC;GHQOFWGVZXXUSN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292546;MM292546;CC=CC(C)=CC#CC=O;DKWNFRNIUSMFBE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292547;MM292547;CC=CC(C)=CC#CC#N;ZNQFXHZATCIMEB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292548;MM292548;CC(C=CF)=CC#CC#N;MVTBEAVGVRWHOZ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292549;MM292549;C=CC#CC=C(F)C=CC;FAATWGAHJIJZOS-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292550;MM292550;CC=CC(F)=CC#CC#N;UQYUOGOQGUNXEN-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292551;MM292551;C#CC#CC=C(C)C=CC;ABMSTYLHVXHVLK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292552;MM292552;C#CC#CC=C(F)C=CC;GLBNGJYHQDJULI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292553;MM292553;C#CC#CC=C(C)C=NN;JFMAAVBRHZPWGR-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292554;MM292554;CC#CC(C)=CC#CCC;RICOLZZAEVUVTK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292555;MM292555;CC#CC(C)=CC#CCN;SVKAOKNVDHPLLF-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292556;MM292556;CC#CC(C)=CC#CCO;SITFZJCMOMFWHU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292557;MM292557;CC#CC(C)=CC#CCF;JIWGLMREOYXACY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292558;MM292558;CC#CC(F)=CC#CCC;DEKLRGJIHGFHJS-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292559;MM292559;CC#CC(F)=CC#CCN;BMMKZRIKXGVYCY-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292560;MM292560;C=CC#CC=C(C)C#CC;DUWLKVFZYFETAP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292561;MM292561;CC#CC(C)=CC#CC=O;HFVWJSBPWOZYNI-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292562;MM292562;CC#CC(C)=CC#CC#N;KXJRNIINOXDTBW-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292563;MM292563;C=CC#CC=C(F)C#CC;JZVDULNBTRVEPQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292564;MM292564;CC#CC(F)=CC#CC=O;FXTSODNGFIWJSI-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292565;MM292565;CC#CC(F)=CC#CC#N;MCTPGQOCKMYRJT-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292566;MM292566;C#CC#CC=C(C)C#CC;IHGJGPDMKQJTTH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292567;MM292567;C#CC#CC=C(F)C#CC;CZNXYJMMALOOAB-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292568;MM292568;CC(CCN)C(C)CCF;WBKARWMYQKCJOE-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292569;MM292569;CCCC(C)C(N)CCC;REBGLLVIVZDNJK-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292570;MM292570;CCCC(C)C(N)CCN;LBUWRLVLFSKSLF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292571;MM292571;CCCC(N)C(C)CCN;VUAPQJPGQKZDMT-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292572;MM292572;CCCC(N)C(C)CCO;GMXYCWSGMZNYBN-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292573;MM292573;CN(C=O)CCCCO;LZGBCIJGRIMEEH-UHFFFAOYSA-N;131.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292574;MM292574;CCCC(C)C(O)CCN;UFBIREQPFVVLIW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292575;MM292575;CC(CCF)C(O)CCN;MWSIHPLJWZVXRW-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292576;MM292576;CC(CCN)C(F)CCF;VDTPKLILOJJZFN-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292577;MM292577;CC(CCF)C(F)CCN;PLIAKLDPZUAWJP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292578;MM292578;CC(CCF)C(F)CCO;NYFBBYMXLMFOSU-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292579;MM292579;CCCC(N)C(N)CCC;NHOGRGYHBHZMIL-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292580;MM292580;CCCC(N)C(N)CCF;RVHMUSUFMRCAKJ-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292581;MM292581;NC(CCF)C(N)CCF;CJYUUOSIUQFJTD-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292582;MM292582;CCCC(N)C(O)CCC;CTDFCRIOSLTKFQ-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292583;MM292583;CCCC(F)C(N)CCF;MVNLASPCTQSKDB-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292584;MM292584;FCCC(F)C(F)CCF;XHPUIAKBMHASIO-UHFFFAOYSA-N;158.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292585;MM292585;CNCC(C)C(C)CCN;VZWIWJPNDGHFBZ-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292586;MM292586;CCCC(C)C(N)CNC;UOIUNYIJLWUAQP-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292587;MM292587;CNCC(F)C(C)CCF;UQFBTELOQXUVEF-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292588;MM292588;CCCC(N)C(C)CNC;KIVAOZZGDGGIHL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292589;MM292589;CCCC(N)C(O)CNC;NSVSUVMRBZRPLZ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292590;MM292590;CCCC(O)C(O)CNC;WDUAYTLURFCHHH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292591;MM292591;CNCC(O)C(O)CCO;CMOQWNMKOVKRNR-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292592;MM292592;CNCC(F)C(O)CCO;RYNTUSQSARVWFL-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292593;MM292593;CNCC(C)C(F)CCN;HZBNTMGIEFTGII-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292594;MM292594;CNCC(C)C(F)CCF;PARQZUNKGNRTSR-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292595;MM292595;CCCC(F)C(N)CNC;HAAGURRYGYGGOZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292596;MM292596;CCCC(C)C(N)COC;BADHTVNQTLPMML-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292597;MM292597;COCC(N)C(C)CCO;IKMWHCXGIBGPRN-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292598;MM292598;COCC(O)C(C)CCN;DFZIGIDLKAOPLV-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292599;MM292599;COCC(O)C(C)CCO;BCEDRKKZWQJHQD-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292600;MM292600;COCC(F)C(C)CCN;LVECELXWQXYYJR-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292601;MM292601;CCCC(N)C(C)COC;NFTVCGKBBHYNIX-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292602;MM292602;CCCC(N)C(N)COC;JYTGVAAJCRSGTN-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292603;MM292603;COCC(N)C(O)CCO;ASHGGRNHXJPJDY-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292604;MM292604;COCC(O)C(O)CCN;JYFWJDNXPUPZBZ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292605;MM292605;COCC(O)C(O)CCO;GQQCGNHJQUTLSL-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292606;MM292606;COCC(F)C(O)CCO;LPFJNYULWHCCSI-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292607;MM292607;COCC(N)C(F)CCF;IUVKMZHLVFCYCD-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292608;MM292608;CNCC(C)C(C)CNC;IVKCQHMAZOBURS-UHFFFAOYSA-N;144.26;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292609;MM292609;CNCC(C)C(F)CNC;VRRKFXSOSGOIPG-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292610;MM292610;CNCC(O)C(O)CNC;NJNCBENAMPCVJY-UHFFFAOYSA-N;148.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292611;MM292611;CNCC(C)C(N)COC;UUORBDDUASTFAB-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292612;MM292612;CNCC(C)C(O)COC;FKQIGDPIEWAKBQ-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292613;MM292613;CNCC(O)C(C)COC;VDCSVULILXKCNK-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292614;MM292614;CNCC(O)C(O)COC;JJLMHYKINXLBKE-UHFFFAOYSA-N;149.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292615;MM292615;CNCC(F)C(F)COC;GTTGWPSQZJQWLN-UHFFFAOYSA-N;153.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292616;MM292616;COCC(C)C(N)COC;BPIAGOBXWMNETQ-UHFFFAOYSA-N;147.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292617;MM292617;COCC(O)C(O)COC;QPXJVYUZWDGUBO-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292618;MM292618;CCCC(C)C(C)NCC;LYDYDXSIASJTLD-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292619;MM292619;CCCC(N)C(C)NCC;CFLKQMFNBOXASZ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292620;MM292620;CCNC(C)C(O)CCN;XNMMPNJWFZGJJL-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292621;MM292621;CCNC(C)C(F)CCF;DPABCGQNFWQLOX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292622;MM292622;CCNC(C)C(C)CNC;KTKSCYSLLINRBP-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292623;MM292623;CCNC(C)C(N)COC;RJPLKQLIFHSGKO-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292624;MM292624;CCCC(N)C(C)OCC;HUSAYKOXARANKP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292625;MM292625;CCOC(C)C(N)CCN;DKGOGCXKLLJUOI-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292626;MM292626;CCCC(C)N(C)CCC;GTLJCWQRBBXASD-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292627;MM292627;CCCC(C)N(C)CCN;WJFAMUHKEWPINR-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292628;MM292628;CC(CCF)N(C)CCN;JHCORPTTYIMABB-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292629;MM292629;CCCC(C)C(C)CC#N;HIQCEKFISGWZPD-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292630;MM292630;CC(CC=O)C(C)CCF;BGDVMDYKEJISSB-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292631;MM292631;C=CCC(N)C(C)CCO;LPNMJCHSGLVQQK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292632;MM292632;CC(CCO)C(O)CC#N;HYNPXAAYOFROLJ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292633;MM292633;CC(CCF)C(F)CC=O;ZBEXZESCXDXNGV-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292634;MM292634;C=CCC(C)C(N)CCC;HZMLQIGNIVJTTO-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292635;MM292635;C=CCC(C)C(N)CCO;YKRNRCDTQOEYJD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292636;MM292636;C=CCC(C)C(N)CCF;WQLIHGCLKISBOB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292637;MM292637;C=CCC(N)C(N)CCC;ZRSNQWQQXUPHCQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292638;MM292638;C=CCC(F)C(N)CCF;FHQHNODJAFVQJZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292639;MM292639;C=CCC(O)C(O)CCO;DOYQQVMJBWKBPX-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292640;MM292640;N#CCC(O)C(O)CCO;BRTUXWIOESVXJK-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292641;MM292641;N#CCC(O)C(O)CCF;LPHOXKKNPDJLGA-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292642;MM292642;N#CCC(F)C(O)CCO;GIENJSNBFBKXIO-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292643;MM292643;C=CCC(C)C(F)CCN;ASGJICHVIXSBRF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292644;MM292644;C=CCC(N)C(F)CCC;DZILMNCAIZZCAN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292645;MM292645;C=CCC(N)C(F)CCN;SFZDIBUDXAJVNE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292646;MM292646;C=CCC(N)C(F)CCF;RCASFSINMSBCQE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292647;MM292647;O=CCC(F)C(F)CCO;NAPMQWQXCQIYHY-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292648;MM292648;CNCC(C)C(C)CC=O;JMIPLTZUTWSHFO-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292649;MM292649;CNCC(C)C(O)CC=O;PFAHAWFDTSRYMA-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292650;MM292650;CNCC(O)C(O)CC=O;WCEMUOBOJZHFML-UHFFFAOYSA-N;147.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292651;MM292651;CNCC(O)C(O)CC#N;WSAYKGRIXNRLMS-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292652;MM292652;CNCC(F)C(C)CC=O;CKNAKGLKNIKAMP-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292653;MM292653;COCC(C)C(C)CC#N;NJRHZXGXQYGMGQ-UHFFFAOYSA-N;141.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292654;MM292654;C=CCC(N)C(C)COC;LDVUGCGPYBZJNX-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292655;MM292655;C=CCC(O)C(C)COC;YISIXPDWYUXQJB-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292656;MM292656;C=CCC(C)C(N)COC;PICURMOGDLDSCH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292657;MM292657;C=CCC(F)C(N)COC;YPPOHBAJZXNDSJ-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292658;MM292658;C=CCC(C)C(O)COC;PGXSMUXWMGZTNI-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292659;MM292659;C=CCC(N)C(O)COC;KXWSQKXGYKBJAJ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292660;MM292660;C=CCC(O)C(O)COC;FYFRPHFTXBLTMB-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292661;MM292661;COCC(O)C(O)CC#N;YHSSYIMXXQHUBU-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292662;MM292662;COCC(O)C(F)CC#N;CCEANQUTPIIHAY-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292663;MM292663;COCC(F)C(O)CC#N;OONMFUCGXJGFKK-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292664;MM292664;NN(C=O)CCCCO;QGRYTJKGDARHIQ-UHFFFAOYSA-N;132.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292665;MM292665;CC(CCF)C(C)NC=N;INBFKSWBZXWDCS-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292666;MM292666;CC(NC=N)C(F)CCF;VMZVRAMMUGJBIG-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292667;MM292667;CC(NC=O)C(F)CCF;MYIIDLBMYGJNGC-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292668;MM292668;C=NNC(C)C(C)CCC;OGEPBMYOBDLYPD-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292669;MM292669;C=NNC(C)C(N)CCO;DZBHCDDCZYMMJW-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292670;MM292670;CNCC(C)C(C)NC=N;KYSATBVKXQUHJM-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292671;MM292671;C=NNC(C)C(F)CNC;AYUHQSDSZDWWHX-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292672;MM292672;C=NNC(C)C(N)COC;NZKJJGCIZHYMTK-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292673;MM292673;C=COC(C)C(C)CCN;PIUABFGJOHLBPW-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292674;MM292674;CCCC(N)C(C)OC=O;HNNRITJGNFSMIL-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292675;MM292675;C=COC(C)C(N)CCF;DRTJKOUQJKRANG-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292676;MM292676;C=COC(C)C(F)CCN;HVJHZZKZGDEQDR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292677;MM292677;C=NOC(C)C(C)CCN;UMJPPQWBNDYSEZ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292678;MM292678;C=COC(C)C(C)CNC;IOPWVAIRQZQRDI-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292679;MM292679;C=COC(C)C(N)CNC;CGOOXJUCMHVYNO-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292680;MM292680;CNCC(F)C(C)OC=O;RIPGYHSISIFQHR-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292681;MM292681;C=NOC(C)C(C)CNC;BQHKSDPUYGIQHH-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292682;MM292682;C=COC(C)C(O)COC;UDIGIPAHOOZPQW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292683;MM292683;C=NN(C)CCCCO;FYRCKBWSVRBNPD-UHFFFAOYSA-N;130.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292684;MM292684;CCNC(C)C(C)CC=O;BFAMQDYSEMEPHZ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292685;MM292685;C=CCC(N)C(C)NCC;BPFLWBOAAXDDNN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292686;MM292686;CCNC(C)C(C)NC=N;BUBCBIFIVYORRS-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292687;MM292687;CCOC(C)C(O)CC#N;NLCRUAVMLKOKQE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292688;MM292688;CCOC(C)C(C)NC=N;BWGCDRSXDWHENX-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292689;MM292689;C=CCN(C)C(C)CCC;IGTGHYBAOAJHJW-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292690;MM292690;CC(CCF)N(C)CC#N;PTPHUOLHIJKRFV-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292691;MM292691;C=CC(=O)NCCOC;KIHJKWNSLAKEPK-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292692;MM292692;CC(CCN)N(C)NC=N;LLKFSNIOJYGMCA-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292693;MM292693;CNCC(C)N(C)NC=N;MMQBSZWADIEROE-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292694;MM292694;C#CCC(C)C(C)CCN;JOZBDHGUDOSWTR-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292695;MM292695;C#CCC(N)C(C)CCC;IXQKTGCDGYWRGY-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292696;MM292696;C#CCC(O)C(C)CCO;XAMMGLSVXYPVTP-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292697;MM292697;C#CCC(C)C(N)CCC;GFRGWFYLWGUVOF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292698;MM292698;C#CCC(N)C(N)CCN;XLRARSAWNSKTIG-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292699;MM292699;C#CCC(O)C(N)CCN;ZLCZIFUTZQXJFV-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292700;MM292700;C#CCC(F)C(O)CCN;PEJYXZSRGJDKAS-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292701;MM292701;C#CCC(O)C(F)CCF;UWNGVOKYYPHIED-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292702;MM292702;C#CCC(C)C(C)CNC;DYVIFGQIMNRZOG-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292703;MM292703;C#CCC(O)C(N)CNC;JZFWEGXSWWVYEG-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292704;MM292704;C#CCC(C)C(F)CNC;GVAKOAFHRXZBNO-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292705;MM292705;C#CCC(C)C(C)COC;OQLDOSWISUEZGI-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292706;MM292706;C#CCC(N)C(C)COC;HEJKBANECKZVEU-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292707;MM292707;C#CCC(O)C(O)COC;KDYBUUZEKXRTSG-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292708;MM292708;C#CCC(C)C(C)NCC;DYPFZBSIAKAPJU-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292709;MM292709;C#CCN(C)C(C)CNC;PSRHOSYWTGYAKT-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292710;MM292710;C#CCC(C)N(C)CCC;XFDBZROIUGXRLK-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292711;MM292711;C#CCC(C)N(C)CCO;DGYFLFKVVGXWAY-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292712;MM292712;C=CCC(C)C(C)CC=C;RWISHMCXBGVLHG-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292713;MM292713;C=CCC(C)C(C)CC=O;OBJMCUPPMCYQQC-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292714;MM292714;C=CCC(C)C(O)CC#N;BHDOLNIAFZDPBO-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292715;MM292715;C=CCC(O)C(C)CC=O;FJOBETYWLMHEFZ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292716;MM292716;C=CCC(F)C(C)CC=O;ZLFOMXFMCSOFQN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292717;MM292717;C=CCC(N)C(F)CC=C;DNMKSYQGBCGICU-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292718;MM292718;N#CCC(O)C(O)CC=O;UPIGHODOKOYJBV-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292719;MM292719;N#CCC(O)C(O)CC#N;CPUHURSMKZWWJA-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292720;MM292720;C=CCC(F)C(O)CC=O;BSEJEPKRPKQWEZ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292721;MM292721;N#CCC(F)C(O)CC=O;GGEFEXYXIZKYIA-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292722;MM292722;C=CCC(C)C(C)NC=N;UCQUIISXUQIJQQ-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292723;MM292723;C#CCCNC(=O)C=C;QGDOJCDXGDMOLD-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292724;MM292724;C=CCC(N)C(C)NC=N;ROZILIGBBVJMDY-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292725;MM292725;C=CCC(N)C(C)NC=O;IXMHLLGVBLFGMO-UHFFFAOYSA-N;142.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292726;MM292726;CC(NC=O)C(O)CC=O;NYXQKZWOUMNQAC-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292727;MM292727;CC(NC=O)C(O)CC#N;ZUXOBYPOAUYUIT-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292728;MM292728;C=CCC(F)C(C)NC=N;NUUZGQQFYNEBSF-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292729;MM292729;CNC=C(C#N)CC=O;BOLVDAQAEGFEGD-UHFFFAOYSA-N;124.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292730;MM292730;CC(N=CN)C(F)CC=O;PANQGAXNKFEZPD-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292731;MM292731;CN1CCC(=O)C(=O)C1;FZNYFHMLPFDCJN-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292732;MM292732;C=CCC(N)C(C)NN=C;KGCWYTDZJNUWET-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292733;MM292733;C#CC1=NCC(=N)N1N;WJJZNGMDMMLVDU-UHFFFAOYSA-N;122.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292734;MM292734;CNc1noc(N)c1N;RGIGNFKFEODOGL-UHFFFAOYSA-N;128.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292735;MM292735;C=COC(C)C(C)CC#N;MMWILPVUZFIULE-UHFFFAOYSA-N;139.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292736;MM292736;CC(CC#N)C(C)OC=O;KFIWJIVSOPSYRS-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292737;MM292737;C=COC(C)C(O)CC=O;SBLNKQMGOOEOBC-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292738;MM292738;C=COC(C)C(O)CC#N;PYOHSSGESQQJIS-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292739;MM292739;CNC(C#N)CCCO;FTSRVJREURTHMQ-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292740;MM292740;C=CCC(N)C(C)ON=C;XTXXUGGCHRNQSR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292741;MM292741;C=NOC(C)C(F)CC#N;PBALNKCQICXBNU-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292742;MM292742;C=NNC(C)C(C)NC=N;QKQQJABAMXMFSZ-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292743;MM292743;C=NNC(C)C(C)NN=C;BICDAKXCPUALTP-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292744;MM292744;C=COC(C)C(C)NC=N;INBMFRZUUXWNKN-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292745;MM292745;CC(NC=N)C(C)OC=O;CDCCNOXASRITFE-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292746;MM292746;CC(NC=O)C(C)OC=O;LSGIHVQWAKARES-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292747;MM292747;C=NOC(C)C(C)NC=N;FJZOYYWBHVNZJJ-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292748;MM292748;C=NNC(C)C(C)ON=C;UGCZBCJNGNMIBS-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292749;MM292749;CC(OC=O)C(C)OC=O;NYDSTEURWSVBAF-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292750;MM292750;C=CCN(C)C(C)CC=O;HMNNJZKJPKGZJX-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292751;MM292751;CC(CC#N)N(C)NC=O;HQPDVVQWXWBYDF-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292752;MM292752;C#CCC(C)C(C)CC=O;OFXQWFAJCPPMAK-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292753;MM292753;C#CCC(F)C(C)CC=C;QNKHIACITQVZHP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292754;MM292754;C#CCC(F)C(N)CC=C;IPIHONBKZLAKIJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292755;MM292755;C#CCC(C)C(O)CC=O;DUBIDXYELNQSNX-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292756;MM292756;C#CCC(O)C(O)CC#N;CZDJXISTYOZMAT-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292757;MM292757;C#CCC(F)C(O)CC#N;OPRSFOPYHOARJQ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292758;MM292758;C#CCC(O)C(F)CC#N;NHYSECJEYWKKAS-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292759;MM292759;C#CCC(O)C(C)NC=N;CUEFRHKSUNVBFX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292760;MM292760;C#CCC(C)C(C)NN=C;SYKAIJJPKJOXCM-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292761;MM292761;C#CCC(O)C(C)OC=C;JPZHHMZFYKBTDB-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292762;MM292762;C#CCC(O)C(C)OC=O;QZFCDKLFWIGAHE-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292763;MM292763;C#CCC(C)C(C)CC#C;IBGZOXCPXSGERU-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292764;MM292764;C#CCC(N)C(N)CC#C;ALFMRGCDYJAMDC-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292765;MM292765;C#CCC(N)C(O)CC#C;MNZVPCGICSGMIU-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292766;MM292766;C#CCC(C)N(C)CC#C;LDBSDFUKCJFXAW-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292767;MM292767;C=C(CCN)C(C)CCC;MBCKSODUISXOOQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292768;MM292768;C=C(CCF)C(C)CCN;BSUINDOJUWMUEB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292769;MM292769;CC(CCF)C(=O)CCF;XBXGFKSSQBVNPY-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292770;MM292770;C=C(CCO)C(N)CCC;SFWUHAJXEJYUBR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292771;MM292771;C=C(CCF)C(N)CCC;IZCYRWNUYSHPMI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292772;MM292772;C=C(CCN)C(N)CCN;OYDLXHJDZRHNMG-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292773;MM292773;C=C(CCF)C(N)CCN;LFZYHYXWLLCKJS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292774;MM292774;C=C(CCF)C(N)CCO;COXJKDNSOJOVAB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292775;MM292775;C=C(CCC)C(N)CCF;JVPUKUALQSQDJC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292776;MM292776;C=C(CCO)C(N)CCF;ZBBRGHOLCYJRCW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292777;MM292777;C=CC(CNC=O)=NN;LNMUUINSNFIJAF-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292778;MM292778;C=C(CCN)C(O)CCC;NMHSDOPACGEBBW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292779;MM292779;C=C(CCC)C(O)CCN;SCKRKJBYSCBHAE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292780;MM292780;C=C(CCO)C(O)CCN;JAZRZTVFBWUMEI-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292781;MM292781;C=C(CCO)C(O)CCO;MDVQCBGQQUPEKB-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292782;MM292782;C=C(CCN)C(O)CCF;WVZVLQVPEQETME-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292783;MM292783;C=C(CCN)C(F)CCC;BANADWYZPHSXRN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292784;MM292784;C=C(CCO)C(F)CCO;GJOKHZWFKUXGBD-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292785;MM292785;CCCC(=O)C(F)CCC;QXVDYMOWHNMILT-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292786;MM292786;C=C(CNC)C(C)CCC;OAPADURYPMDXTJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292787;MM292787;C=C(CNC)C(C)CCF;DQVLDIKGAGAKGC-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292788;MM292788;C=C(CNC)C(N)CCN;WYOJUSYFNIAHEY-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292789;MM292789;C=C(CNC)C(O)CCC;ZBIVINXUYOHWFG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292790;MM292790;C=C(CNC)C(O)CCO;MKPGPGOYYTWUHG-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292791;MM292791;C=C(CNC)C(F)CCF;JALDYCHWTUVXJE-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292792;MM292792;C=C(COC)C(N)CCN;HDNXRFRFIZHAIG-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292793;MM292793;C=C(CCC)C(C)CNC;BBNFQKDBBRWSPC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292794;MM292794;C=C(CCF)C(C)CNC;AYOBIFCNUBOYRO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292795;MM292795;CCCC(=O)C(C)CNC;CTENHKGDILUEGB-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292796;MM292796;C=C(CCN)C(N)CNC;FOOHKJLBYMFLNX-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292797;MM292797;C=C(CCF)C(N)CNC;VGKSZNQNLMKOIE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292798;MM292798;C=C(CCC)C(O)CNC;ADBXKXREAPJNMC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292799;MM292799;C=C(CCO)C(O)CNC;JYMQAUZPNZXGHZ-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292800;MM292800;C=C(CCF)C(F)CNC;BEVWQNBVESSZKQ-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292801;MM292801;C=C(CNC)C(O)CNC;DIGBNKANOXLJIH-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292802;MM292802;C=C(CCN)C(C)COC;WBVWBRMBWYUTNQ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292803;MM292803;CCCC(=O)C(C)COC;NCGKUMNUFHSATL-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292804;MM292804;C=C(CCC)C(O)COC;ZOKLAAXNSRUJCE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292805;MM292805;C=C(COC)C(N)COC;BSZWLQVBSSCYNI-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292806;MM292806;COCC(=O)C(O)COC;AFERNITYDOVNPJ-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292807;MM292807;CCCC(N)C(=O)NCC;ATDWKYQOFROBTA-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292808;MM292808;CCCC(O)C(=N)NCC;NWXJKOLKQBQMHP-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292809;MM292809;CCNC(=N)C(O)CCN;IAWMNQKUHSLCCF-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292810;MM292810;CCNC(=O)C(O)CCN;XJSXLRSAYDVQML-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292811;MM292811;CCCC(F)C(=O)NCC;QXCJJJYQXACHCJ-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292812;MM292812;CCCC(C)C(=N)NNC;LBBQVKMRTIJBQB-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292813;MM292813;CNNC(=N)C(O)CCO;CZYWXDCFCCQZGY-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292814;MM292814;CNNC(=O)C(O)CCN;PCENFERYRAFSQG-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292815;MM292815;O=CC1(CCCO)CN1;ASSBMKPNBCGXMM-UHFFFAOYSA-N;129.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292816;MM292816;CNNC(=O)C(F)CCO;RUQBNSOEUKLUTK-UHFFFAOYSA-N;150.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292817;MM292817;CCCC(N)C(=N)NOC;PNJORDVEKWYDDQ-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292818;MM292818;CONC(=N)C(O)CCN;UCCVAEBMHYQOPS-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292819;MM292819;CONC(=N)C(O)CCO;KPYRPABFZNUXPS-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292820;MM292820;O=CCNN=CCC(=O)O;FFPMYQARMVXSPW-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292821;MM292821;N#CC1(CCCO)CN1;MFTNNQNIPMDPMU-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292822;MM292822;CCNC(=N)C(C)CNC;ODYHLGDQZNAYMF-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292823;MM292823;CNCC(O)C(=N)NNC;PNJMVBAXEUWPIO-UHFFFAOYSA-N;146.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292824;MM292824;CCNC(=N)C(N)COC;KHLBQYCZVNEQAT-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292825;MM292825;CCNC(=O)C(F)COC;URJKCNWPKDGJBE-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292826;MM292826;CNNC(=N)C(O)COC;KHPXEHRQOJROHG-UHFFFAOYSA-N;147.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292827;MM292827;C#CC1(CCCO)CN1;FABQQYGZLRYDIY-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292828;MM292828;CCOC(=O)C(C)CCN;PURMTUNFJDGGLW-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292829;MM292829;C=C(OCC)C(N)CCC;RJTZQQKKSNZGJU-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292830;MM292830;C=C(OCC)C(N)CCN;PWJIHHXQPXHOKP-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292831;MM292831;CCCC(O)C(=O)OCC;MQGTZMCASHTGBJ-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292832;MM292832;CCOC(=O)C(O)CCN;KSCZLCFMSHHFAK-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292833;MM292833;C=C(OCC)C(F)CCN;MOHDBABKMKWROL-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292834;MM292834;CCCC(F)C(=O)OCC;IVOQOBFDDZDNKA-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292835;MM292835;CCOC(=O)C(O)CNC;PVEVECPMIKIKGF-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292836;MM292836;C=C(OCC)C(N)COC;ZXPYUUFXVGMCFB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292837;MM292837;C=C(OCC)C(O)COC;FJXFJOLDCRJOCG-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292838;MM292838;C=C(CCN)C(C)NCC;CDXQWBJUDSYUQF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292839;MM292839;CCCC(=O)C(C)NCC;WDKHLDHPRKXZID-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292840;MM292840;CCNC(C)C(=O)CCO;QAKLXNDIOZKFQA-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292841;MM292841;CCNC(C)C(=O)CNC;HCFUOWOEADYPBP-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292842;MM292842;CCOC(C)C(=O)CCO;BIRSPYBPQQBFQZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292843;MM292843;CCOC(C)C(=O)CCF;FKCHKOHZJIQQQS-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292844;MM292844;CCNC(=N)C(C)OCC;AQQQGQPJWNQOSZ-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292845;MM292845;C=Cn1ncc(NN)n1;GDBPWBGRTAJZLE-UHFFFAOYSA-N;125.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292846;MM292846;CN(CCO)C(=N)CCO;OCIVBTVKRVWPPY-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292847;MM292847;CCCC(=O)N(C)CCN;PFPDHHZTACAPLO-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292848;MM292848;CN(CCO)C(=O)CCO;DTLYZEBGQRIVRI-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292849;MM292849;N=C(CCO)N(N)CCO;XSXCFBUNUCMJOA-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292850;MM292850;N=C(CCF)N(N)CCF;ISLFMIYQSMYJER-UHFFFAOYSA-N;151.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292851;MM292851;N#CCNCCCCO;FYRMASRMGOWHKD-UHFFFAOYSA-N;128.18;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292852;MM292852;CCCN(C)C(=N)CNC;YDIJMQRSJKGBQZ-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292853;MM292853;CNCC(=N)N(C)CCO;XCZNEBGGLNILOQ-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292854;MM292854;CNCC(=O)N(C)CCO;LYNXROXNHZJLMH-UHFFFAOYSA-N;146.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292855;MM292855;CNCC(=O)N(N)CCO;ZOEGMMWXFAPTLL-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292856;MM292856;COCC(=N)N(C)CCO;NCSTXNNVWLCMDI-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292857;MM292857;CC=NOCCCCO;BBXCCLRYRWNGIV-UHFFFAOYSA-N;131.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292858;MM292858;CCNC(=N)N(C)CCO;DCHVGPZFOBYBBU-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292859;MM292859;CCNC(=N)N(C)CCF;JKHPGJTWJIWKDY-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292860;MM292860;C=NN1CC1CCCO;DZDOIIWFSOWBQN-UHFFFAOYSA-N;128.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292861;MM292861;CCNC(=N)N(O)CCF;VSFDQPKBDOYVTH-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292862;MM292862;CCNC(=O)N(O)CCF;XQSTUYTVLPYCHG-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292863;MM292863;CNNC(=N)N(C)CCN;PAYZSPJPLXIZAM-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292864;MM292864;CNNC(=N)N(C)CCO;CYXKXBUJUSBGFX-UHFFFAOYSA-N;146.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292865;MM292865;CNNC(=O)N(C)CCN;XRQDQITYBRPFRE-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292866;MM292866;C#CC1NC1CCCO;UZZCAHJAHATFOV-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292867;MM292867;CC(O)C(C)(C)C=CCO;LYSLRETZYOGLCP-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292868;MM292868;CCCN(N)C(=N)NNC;ZGBZMTKTFKNDSI-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292869;MM292869;CNNC(=N)N(N)CCO;HRECVNKKDCOHNP-UHFFFAOYSA-N;147.18;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292870;MM292870;NC(=O)C=CC=CC(N)=O;MABVABFBWKQILU-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292871;MM292871;C=CC#CC(N)=CC(N)=O;XJQYDKFNQIDJEN-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292872;MM292872;CCCC(C)(CF)NC=O;VYJQWTBCNAQJGV-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292873;MM292873;CNNC(=N)N(O)CCN;UFGXBWZGFRBAON-UHFFFAOYSA-N;147.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292874;MM292874;CNNC(=N)N(O)CCO;BJZQHVHVXRYJHF-UHFFFAOYSA-N;148.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292875;MM292875;CCCN(O)C(=O)NNC;KKHOXSGNDHEPDW-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292876;MM292876;CNNC(=O)N(O)CCN;YPCCOEBOZHHCGA-UHFFFAOYSA-N;148.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292877;MM292877;CNNC(=O)N(O)CCO;SGKXZORKFPXBGL-UHFFFAOYSA-N;149.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292878;MM292878;CNNC(=O)N(O)CCF;LXDUVZZYPKGSDI-UHFFFAOYSA-N;151.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292879;MM292879;CONC(=N)N(C)CCN;YUKMBJWCGHWVQK-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292880;MM292880;CONC(=N)N(C)CCO;CQBWHHXDQCDQMQ-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292881;MM292881;CONC(=O)N(C)CCO;SHTFEMADQIKCLG-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292882;MM292882;CONC(=O)N(C)CCF;QQAJAQXZHHTTOR-UHFFFAOYSA-N;150.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292883;MM292883;CONC(=N)N(N)CCO;FGBFKXWPERHGFB-UHFFFAOYSA-N;148.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292884;MM292884;CCCN(N)C(=O)NOC;UMOOFJMERXFQTP-UHFFFAOYSA-N;147.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292885;MM292885;CONC(=O)N(N)CCO;NKXPQWHKTQVUSM-UHFFFAOYSA-N;149.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292886;MM292886;CONC(=O)N(O)CCO;NMIMLPXUSNVBOY-UHFFFAOYSA-N;150.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292887;MM292887;CCCN(C)C(=N)OCC;GVSGTNBOEQRZBF-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292888;MM292888;CCOC(=N)N(C)CCO;JYHNKQCCBLITNJ-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292889;MM292889;CCOC(=O)N(C)CCO;QVJUOHQGPAMHNX-UHFFFAOYSA-N;147.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292890;MM292890;C=CC(CF)=C(C)C(N)=O;SYNYBZMCNSQBGG-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292891;MM292891;CCCN(N)C(=O)OCC;QXMNLEZGIPUNPH-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292892;MM292892;CC(C=CCC=O)C(N)=O;SMMBEVHINKKRSS-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292893;MM292893;CN(CC=O)N=C(N)C=O;NSYQRKIKJOCGEW-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292894;MM292894;CC(C=CCC#N)C(N)=O;GKRZUCDEIXQYOW-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292895;MM292895;CC=NN(C)CC(=O)C=O;AGUWXOXEFGPKRG-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292896;MM292896;NN=c1nnc(O)nn1O;YZRKDDXNWWFVTN-UHFFFAOYSA-N;144.09;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292897;MM292897;CCCC(=N)N(C)NCC;HZUSTQJCEGFBLY-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292898;MM292898;C=C(F)C(C)C=CCC=O;QBPVLDJOSZGPKS-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292899;MM292899;CC(C)=NNCCCCO;JJFAPKFJIWNRMD-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292900;MM292900;CC(C)C(F)CCNC=O;UOQUXHNNWZTFHI-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292901;MM292901;CCCC(=N)N(C)OCC;DRNIVUOZSYSLSL-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292902;MM292902;C=CC(C)(CNC=O)OC;CKQAJWPGNIWMTH-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292903;MM292903;CCON(C)C(=N)CCO;KJTPOXDTVDFWDL-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292904;MM292904;N#CCC=CC(O)C(=N)N;GTZMUONBUBSBFC-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292905;MM292905;CCON(C)C(=O)CCO;QQASTIYZUSVYJH-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292906;MM292906;N#CCC=CC(O)C(N)=O;BBDDEKRWUIPIJZ-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292907;MM292907;CCON(C)C(=O)CNC;SCTVDHARGCWFJC-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292908;MM292908;C=C(C)C(F)C=CCC=O;KRPXRMNFMMWNLU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292909;MM292909;CCNC(=N)N(C)OCC;FDDCBHYPYCWNAH-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292910;MM292910;C=CCC=CC(F)C(C)=O;JJWDGCPXAPXQRR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292911;MM292911;CCON(C)C(=N)NNC;DVALPPYBSLIWGR-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292912;MM292912;C=C(C)C(C)C=CNC=N;GWEIIXFSJFCEKQ-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292913;MM292913;CC(CCC=CF)NC=O;WTBTXIBPYYIUMP-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292914;MM292914;C=C(C)C(C)C=CNC=O;CECLVJFXQSANKL-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292915;MM292915;CCOC(=O)N(C)OCC;VJXNRWJRKPCHBX-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292916;MM292916;CC(C=CNC=N)C(=N)N;JEHRQLKGZHGDGK-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292917;MM292917;C=CCC(=C)C(C)CCC;YOTWQTKPLNLABC-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292918;MM292918;CC(C=CN=CN)C(N)=O;FKUZVZJBRIEAHK-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292919;MM292919;C=C(CC=O)C(C)CCC;NTZHVKCKSNBPNO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292920;MM292920;C=C(F)C(C)C=CNC=N;GMJIDZZJZOAPDC-UHFFFAOYSA-N;142.18;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292921;MM292921;C=CCC(=C)C(C)CCN;VVWILHPQAKQDFA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292922;MM292922;C=C(C)C(N)C=CNC=O;YUSJDGBPEBWTJY-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292923;MM292923;C=COC(=O)CC=NOC;PCDYSWUSWZOUNO-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292924;MM292924;C=C(F)C(O)C=CNC=N;GETFSTIMJBIIJQ-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292925;MM292925;C=C(CC=O)C(C)CCF;WNWSMNYKUNTEIB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292926;MM292926;C=C(F)C(O)C=CNC=O;YDSCWALSDFNYOG-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292927;MM292927;C=CCC(=O)C(C)CCC;PGBPXVVUVXSLDM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292928;MM292928;CC(=O)C(F)C=CNC=O;GRLBAGWTSUCUQB-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292929;MM292929;C=CCC(=O)C(C)CCO;CEERHDFXRVYAPK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292930;MM292930;N=CNC=CC(F)C(=N)N;ODEJZRXDXSASGN-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292931;MM292931;C=CCC(=O)C(C)CCF;BCVSMTYDOZBBTD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292932;MM292932;N=CNC=CC(F)C(N)=O;NITIPUANMRTSDQ-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292933;MM292933;N#CCC(=O)C(O)CCO;WSHNGPPGFBWXAV-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292934;MM292934;C=COC=CC(C)C(C)=O;MBBQMGLTKVSLDQ-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292935;MM292935;C=C(CC#N)C(F)CCO;YBBNZSSMBWNSKC-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292936;MM292936;CC(=O)C(C)C=COC=O;NUVBDOXDVRVKCS-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292937;MM292937;C=CCC(=O)C(F)CCC;WISUITTYLVNKTL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292938;MM292938;C=COC=CC(C)C(N)=O;IRDCKJYSYABREI-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292939;MM292939;C=C(CC=O)C(C)CNC;ZOYDUBDONITXCS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292940;MM292940;C=C(C)C(N)C=COC=O;NHWQFZSMEIFQQV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292941;MM292941;C=C(CC#N)C(C)CNC;RTXIJHNKZPYWOY-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292942;MM292942;N=C(N)C(N)C=COC=O;GEINBSLCHDLWGG-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292943;MM292943;C=CCC(=O)C(C)CNC;VBVBRRFVWHXHQZ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292944;MM292944;C=COC=CC(O)C(=C)C;FGJKJMBGEUIFHK-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292945;MM292945;C=C(CC=O)C(O)CNC;DDJFHLKDDKZZOA-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292946;MM292946;C=COC=CC(O)C(=N)N;KJVQJFOVGRWIHT-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292947;MM292947;C=C(CC=O)C(C)COC;FIMDMMYRZGBKPV-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292948;MM292948;C=COC=CC(O)C(N)=O;WDSHHHRYDRAXOQ-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292949;MM292949;C=C(CC#N)C(C)COC;ZMVOYJUACQTWSN-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292950;MM292950;Cc1cc(=O)n(N)c(O)n1;XVSXNJXJQNIVRS-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292951;MM292951;C=CCC(=C)C(O)COC;VRCFFJHWNBBMDT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292952;MM292952;COCON=CCC(=O)O;BOZIGQFAUPXFGX-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292953;MM292953;C=C(CC#N)C(O)COC;ZWEGIMJLUJQDTG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292954;MM292954;C=C(F)C(O)C=COC=O;XKUGQBYHYIJVLA-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292955;MM292955;C=CCC(=O)C(O)COC;OREXQRTWWUAQCE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292956;MM292956;C=COC=CC(F)C(N)=O;FHLUUZFJOHKHPN-UHFFFAOYSA-N;145.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292957;MM292957;C=C(NC=O)C(C)CCN;YHDAPBWLKURTAG-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292958;MM292958;C=C(C)C(C)C=NNC=O;HHDFGOUOWOAPNG-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292959;MM292959;C=C(NC=N)C(C)CCF;ATGLPILAXJFJNC-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292960;MM292960;CCC1(CC)CN1C(N)=O;CVODKRHDUQJLIT-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292961;MM292961;C=C(NC=O)C(C)CCF;ZIKMEBXCGRVNIE-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292962;MM292962;N=CNN=CC(N)C(=N)N;WLSRGTQJUHTWPS-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292963;MM292963;CCCC(C)C(=N)NC=N;MLIDTVSXKGTSFV-UHFFFAOYSA-N;141.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292964;MM292964;N=C(N)C(N)C=NNC=O;ZSEMLTAEZNIKJO-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292965;MM292965;CC(CCN)C(=N)NC=O;SDEQWBWKTINANP-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292966;MM292966;C=C(C)C(O)C=NNC=O;ZFWMYKPTQMGJDW-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292967;MM292967;CCCC(C)C(=O)NC=O;KYRTVYOUMWAXJJ-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292968;MM292968;CC(CF)C(C)CNC=O;ABKHXWINSKANCZ-UHFFFAOYSA-N;147.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292969;MM292969;CC(CCN)C(=O)NC=O;QPUZFVCVZVWPDY-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292970;MM292970;C=CNC(=O)C(C)CCO;UFNZXCPLZINFHY-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292971;MM292971;O=C(O)CCC(=NO)NO;XSTWVPKUPPMCAS-UHFFFAOYSA-N;148.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292972;MM292972;C=C(NC=N)C(N)CCF;LOQRIHCNTSYMAZ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292973;MM292973;CC(C=NOC=O)C(=N)N;FJWDRBAWFVUHGA-UHFFFAOYSA-N;143.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292974;MM292974;C=CNC(=N)C(N)CCC;GQXSNANKTYFOGZ-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292975;MM292975;C=C(F)C(C)C=NOC=O;AXBVMGUXQDIYAS-UHFFFAOYSA-N;145.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292976;MM292976;C=CNC(=N)C(N)CCN;VYFQWIJTGBZXLP-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292977;MM292977;N=C(N)C(N)C=NOC=O;AVWSXEMSWOQOKH-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292978;MM292978;CCCC(N)C(=O)NC=N;HAPQXMICMFZDRL-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292979;MM292979;NC(=O)C(O)C=NOC=O;NNMAUQWQIILLAS-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292980;MM292980;C=C(NC=N)C(O)CCC;YLBIVAJYSYULSD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292981;MM292981;C=Cn1nc(O)c(=N)n1O;LPTWEGQIQLSYFC-UHFFFAOYSA-N;142.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292982;MM292982;N=CNC(=N)C(O)CCN;MUCVYUNRJRKPFA-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292983;MM292983;C=CNC=NC(C)C(=C)C;GOSGQVCKPPEAGG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292984;MM292984;N=CNC(=N)C(O)CCO;OWMKZQVLKZONBY-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292985;MM292985;C=CCC=CN(C)C(C)=N;HUVXMFACTPPFEH-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292986;MM292986;C=CNC(=N)C(O)CCF;CIUCXIWONXAWRA-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292987;MM292987;CN(C=CCC=O)C(=N)N;ZXNVHEFEXUROEI-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292988;MM292988;O=CNC(=O)C(O)CCO;HUJOALRXIHVMHE-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292989;MM292989;C=CCC=CN(N)C(C)=O;ADFPJXUUWGDFIH-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292990;MM292990;N=CNC(=N)C(F)CCO;TYTCOSDTGLGHTF-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292991;MM292991;C=CCC=CN(O)C(C)=N;DTQLQHBUXDVVHP-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292992;MM292992;C=CNC(=O)C(F)CCC;IDDRPKBVGIDHSJ-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292993;MM292993;CC(=N)N(O)C=CCC#N;YHBBKGYGWCBYIA-UHFFFAOYSA-N;139.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292994;MM292994;CCCC(F)C(=O)NC=O;UDDIAIFZMNFKBH-UHFFFAOYSA-N;147.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292995;MM292995;C=CCC=CN(O)C(C)=O;UBJXVECBLWPLER-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292996;MM292996;C=CNC(=O)C(F)CCF;XBMQCJWQOOCLFN-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292997;MM292997;NC(=O)N(O)C=CCC=O;IPHVYLUHURBMBA-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292998;MM292998;C=NNC(=N)C(O)CCN;DWPDOQMTBRMIDQ-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM292999;MM292999;CC(=N)N(N)C=CNC=N;CALWOVWKJSWIEZ-UHFFFAOYSA-N;141.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293000;MM293000;CON=CNC(C)C(N)=O;JVUYXRPZTHFMSJ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293001;MM293001;CC(=N)N(N)C=CNC=O;BVBYSBPKUTYIBQ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293002;MM293002;C=NNC(=O)C(O)CCO;KINLONHUGHASLL-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293003;MM293003;CC(=O)N(N)C=CN=CN;BKPMTFWUCDKNMH-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293004;MM293004;C=C(NC=O)C(C)CNC;VDZPADRAEJSXAY-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293005;MM293005;N=CNC=CN(N)C(=N)N;BLRVEGCFBCTSIT-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293006;MM293006;CNCC(C)C(=O)NC=N;FPBQVFBCKJEQRG-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293007;MM293007;N=C(N)N(N)C=CNC=O;YWUFMFOILOGOSS-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293008;MM293008;CNCC(C)C(=O)NC=O;VHZUJFLGTXUBEH-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293009;MM293009;CN1C(CC=O)C1(C)C=O;RWVVKSNOLMNPNJ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293010;MM293010;CNCC(N)C(=N)NC=N;JHFVOZPTHWADNI-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293011;MM293011;CC(=N)N(O)C=CNC=N;KILQLOQYFCEDEG-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293012;MM293012;CNCC(O)C(=N)NC=N;NJTYAXZEAUTYIH-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293013;MM293013;CC(=O)N(O)C=CNC=O;GQHXQRNWMKXXDP-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293014;MM293014;CNCC(F)C(=N)NC=N;AHTCFPACUQCJQT-UHFFFAOYSA-N;146.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293015;MM293015;N=CNC=CN(O)C(=N)N;JOTDGPIHZCDSEC-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293016;MM293016;C=NNC(=O)C(C)CNC;ACGNPPGJWQVYKK-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293017;MM293017;N=C(N)N(O)C=CNC=O;OSTWKUDSXBXNJZ-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293018;MM293018;CCCN=CN(C)C(N)=O;LAZCZKCMIKYKPF-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293019;MM293019;NC(=O)N(O)C=CNC=O;UWGGHZQQLSAOMB-UHFFFAOYSA-N;145.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293020;MM293020;C=CNC(=N)C(N)COC;QCEONUSDYNLTEH-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293021;MM293021;CC(=N)N(C)C=COC=O;KILPGDCNLVNKOT-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293022;MM293022;COCC(N)C(=N)NC=N;UHFPRAIVXNWEGK-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293023;MM293023;CN(C=COC=O)C(=N)N;RSMRRARUVVAGRV-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293024;MM293024;C=C(NC=N)C(O)COC;UMCSDWDWLRCJMT-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293025;MM293025;CC(=O)N(N)C=COC=O;DAGWWHDFRRYRQG-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293026;MM293026;C=C(NC=O)C(O)COC;ONAYCUVMSKOUDN-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293027;MM293027;C=COC=CN(N)C(=N)N;GMQMUUXKIDTKHY-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293028;MM293028;COCC(O)C(=N)NC=O;KDVQJKWGZCFNFI-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293029;MM293029;N=C(N)N(N)C=COC=O;FSFANFRKALQWRX-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293030;MM293030;COCC(O)C(=O)NC=N;QUODBSKYGDFOIF-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293031;MM293031;N#CCN(C=N)C(=O)CF;FXUNZNATSBPUHR-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293032;MM293032;COCC(O)C(=O)NC=O;OUMOSNWGKNRZKK-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293033;MM293033;C=COC=CN(O)C(=N)N;KQLXFDBUOPDGGY-UHFFFAOYSA-N;143.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293034;MM293034;C=C(NC=O)C(F)COC;LMSWSCCHLBBIOZ-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293035;MM293035;N=C(N)N(O)C=COC=O;UZIZZJMOWHENFC-UHFFFAOYSA-N;145.12;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293036;MM293036;COCC(F)C(=N)NC=O;NEHJBFIFYDQVDI-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293037;MM293037;C=COC=CN(O)C(N)=O;KLGMYBKJHGIPFS-UHFFFAOYSA-N;144.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293038;MM293038;COCC(F)C(=O)NC=N;HWIPYPNZRYLERK-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293039;MM293039;COCC(F)C(=O)NC=O;CVKXLBCQHMSEOL-UHFFFAOYSA-N;149.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293040;MM293040;NC(=O)N(O)C=COC=O;XQZFGORFCCCRBU-UHFFFAOYSA-N;146.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293041;MM293041;C=COC(=C)C(N)CCN;XSKWLYPOFMZSFT-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293042;MM293042;C=CCN=CN(C)C(=C)C;HZVYQIYWBORORE-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293043;MM293043;C=COC(=C)C(O)CCC;GBWHCZDUGHTHLG-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293044;MM293044;C=CCN=CN(C)C(C)=O;DSQVIZGMPWMKKD-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293045;MM293045;C=COC(=O)C(O)CCC;KFDVEIXTDOVJKZ-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293046;MM293046;C=CCN=CN(C)C(=N)N;MNELUUFXEWMAKF-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293047;MM293047;C=COC(=O)C(F)CCN;IOMZRDQZFNJRRH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293048;MM293048;CN(C=NCC=O)C(=N)N;QRYAIZMHKNNDAN-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293049;MM293049;C=NOC(=O)C(O)CCN;OHNAYIDFZDPPOV-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293050;MM293050;CCC(CCF)CNC=O;GFHBNGYVRBUAKU-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293051;MM293051;C=NOC(=O)C(O)CCO;VMGWECOHZQEUKC-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293052;MM293052;C=CCN=CN(N)C(=N)N;JSBXOWGJDOPESQ-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293053;MM293053;C=COC(=O)C(O)CNC;DKLNXCBXWVIJBP-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293054;MM293054;CCCC(CF)CNC=O;NRNJVODBWOCCHL-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293055;MM293055;C=NOC(=O)C(O)CNC;OFNNSYAHYGFCCP-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293056;MM293056;N=C(N)N(O)C=NCC=O;WOAGPJLYUGAIET-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293057;MM293057;C=COC(=C)C(C)COC;VFCOYGNSQWFMAE-UHFFFAOYSA-N;142.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293058;MM293058;C=CCN=CN(O)C(N)=O;BMGDQEZNPBPNGU-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293059;MM293059;C=COC(=C)C(O)COC;KAASZOKIRZNWEE-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293060;MM293060;NC(=O)N(O)C=NCC=O;KKUZHTJKEJNEEL-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293061;MM293061;C=NOC(=O)C(N)COC;PGYLFZIVIDQGAA-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293062;MM293062;N#CCN=CN(O)C(N)=O;TWWBAXVLEJDETJ-UHFFFAOYSA-N;142.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293063;MM293063;C=CCC(=C)C(C)NCC;VVHLTESMXVXNAZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293064;MM293064;CC(=O)N(N)C=NNC=O;FPQWEECCTHGXBU-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293065;MM293065;C=C(NC=O)C(C)NCC;WALJKVUTEDZRRU-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293066;MM293066;N=CNN=CN(N)C(=N)N;FVKVXRPJFZWQOW-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293067;MM293067;C=CCC(=C)C(C)OCC;XHFVIHWSKZPQQU-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293068;MM293068;N=C(N)N(N)C=NNC=O;CUMAAGPMBAJGAZ-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293069;MM293069;C=C(CC#N)C(C)OCC;ZZDDELAGBVQAHL-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293070;MM293070;CC(=O)N(C)C=NOC=O;HLJLRWURHSQTKR-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293071;MM293071;C=CNC(=N)C(C)OCC;PPCZRTVPEJXOLJ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293072;MM293072;CN(C=NOC=O)C(N)=O;LGCDQEKNBRFHPE-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293073;MM293073;CCOC(C)C(=N)NC=O;PQTFNKINWMHOCG-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293074;MM293074;CC(C)C(CF)CNC=O;VZISYRDOVACZIC-UHFFFAOYSA-N;147.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293075;MM293075;C=CNC(=O)C(C)OCC;AHWYVYZHSPPCCP-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293076;MM293076;C#CC(CNC=O)C(=C)C;HIUUZLFTTVLAAP-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293077;MM293077;C=CCC(C=NN)NC=O;CDUKEAITAZWWHL-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293078;MM293078;C#CC#CCC(C#N)=CN;LBUHSIGIHSZVTN-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293079;MM293079;CC1CC1NC(=O)C=CN;UJQMEMIGMBVCJF-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293080;MM293080;C=CN=CNN(C)C(=N)N;MEOUAJRIVYFBNX-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293081;MM293081;C=NNC(=O)C(C)OCC;QWMKHYYLAZSJNV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293082;MM293082;C=NOC=NN(C)C(C)=O;XHYYEVSPBAWBLS-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293083;MM293083;C=NOC(=O)C(C)OCC;YGPNOQSDLZLPOZ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293084;MM293084;C#CCC=CC(C)C(=C)C;NBYJPJRMGREYNO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293085;MM293085;CCCN(C)C(=N)CC=O;MWXYMMPYRNIODQ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293086;MM293086;C#CCC=CC(C)C(C)=O;HFVQEDZEKMUJMW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293087;MM293087;CN(CCF)C(=O)CC#N;YTXOHOYVLGOPJY-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293088;MM293088;C#CCC=CC(N)C(=N)N;QUEDIHZEDWHNOC-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293089;MM293089;CC=NNC(C)CCCO;SERBTGJXZJGDGW-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293090;MM293090;C#CCC=CC(O)C(C)=O;VZPUGVNGPPITMF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293091;MM293091;C#CC=CC(=C)CNC=O;GHIGJMLBYGQIIH-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293092;MM293092;C#CCC=CC(O)C(=N)N;VJFJUEZQGKJJET-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293093;MM293093;C=CNC(=N)N(C)CCN;GUDYTVJYAIGDNO-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293094;MM293094;CN(CCN)C(=N)NC=N;DGBUZLIPYPGLTK-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293095;MM293095;C#CCC=CC(O)C(N)=O;PKVCDTFONFOQLO-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293096;MM293096;C#CCC=CN(N)C(C)=N;OPMHXMXDNNITCG-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293097;MM293097;CN(CCN)C(=N)NC=O;FAIKKBCSLQQEIO-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293098;MM293098;C#CCC=CN(N)C(=N)N;MJYORZUPSFLMLQ-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293099;MM293099;C=CNC(=N)N(C)CCO;FFOCZZDLDBEYAF-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293100;MM293100;C#CC(C=O)=NNCC=O;ZXVJWLYFEFTSPN-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293101;MM293101;CN(CCO)C(=N)NC=N;OWAXFGLGOSZQCN-UHFFFAOYSA-N;144.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293102;MM293102;C#CCC=CN(O)C(=N)N;NOECLQUJNWXERU-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293103;MM293103;CN(CCO)C(=N)NC=O;FZIPDNQFQUUSFN-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293104;MM293104;CN(CCF)C(=N)NC=N;FEXHFBDBCYZZMP-UHFFFAOYSA-N;146.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293105;MM293105;C#CCC=CN(O)C(N)=O;HGIWJJBFQNBKGX-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293106;MM293106;CC(CCCO)N(C)C=O;ZCQRJGSHWPWDSF-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293107;MM293107;C#CCN=CN(C)C(C)=O;BIGCQNOKJSUKPM-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293108;MM293108;CCCN(C)C(=O)NC=O;JNCRJRGIUQCVQB-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293109;MM293109;O=CCNN=COCCF;REOFMYSKCICLJT-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293110;MM293110;CN(CCN)C(=O)NC=N;GHIRQTVCBRCSMX-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293111;MM293111;C#CCN=CN(N)C(=N)N;CRJRHELMLYYONS-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293112;MM293112;C=CNC(=O)N(C)CCO;YAELMJVZSPLJES-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293113;MM293113;CC1(C)NC1C(N)=O;QCKIESSGFZJMAJ-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293114;MM293114;C=NN(C)C(C)CCCO;PHAHPOOTGSOJEJ-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293115;MM293115;C#CCN=CN(O)C(=N)N;BFZTWAISOORQEC-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293116;MM293116;CN(CCO)C(=O)NC=O;OEMAMLAGFAZSBT-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293117;MM293117;C#CCN=CN(O)C(N)=O;WIUCASJGZXRLPU-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293118;MM293118;C=CNC(=N)N(N)CCO;YUDHBBZFXQUFEM-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293119;MM293119;C#CCC=NN(C)C(=N)N;JJZDNUOHDCPQRD-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293120;MM293120;N=CNC(=N)N(N)CCO;TYFBVYIMGWIRQO-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293121;MM293121;CNc1ncc(N)o1;XGBUACQGZFIAFA-UHFFFAOYSA-N;113.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293122;MM293122;N=CNC(=N)N(N)CCF;PBCFPAFHIQTTMZ-UHFFFAOYSA-N;147.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293123;MM293123;C=C(C=CCCC)C(C)C;WJFJNUZOVXJBGQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293124;MM293124;C=COC=C(C)C(=O)NC;PZDWXNOPWKSHET-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293125;MM293125;C=C(C=CCCN)C(C)C;VNVKYEMUEWRZBL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293126;MM293126;CC(C#N)NCCCCO;BFWXRJAGKZDFHJ-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293127;MM293127;CN1CC1CNC=O;BCNKOOLELSMYAR-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293128;MM293128;N#CC(=N)NCCCCO;LQIVBNSNJCQFLO-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293129;MM293129;C=C(C=CCCF)C(C)C;YWMCIALWYYMUAH-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293130;MM293130;C=COCCNC(=O)C=C;LMYBEGLNERPEPP-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293131;MM293131;C=C(C=CCCC)C(C)N;NTOVSBPOIHXBJP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293132;MM293132;CC(=NN)OCCCCO;WLEVBUHSDKHGDJ-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293133;MM293133;C=C(C=CCCF)C(C)N;LGJZVJSNTDHOPR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293134;MM293134;CCCN(O)C(=N)NC=N;NOYMBIYDWOIWIF-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293135;MM293135;CCC1NC1C(N)=O;MSFKEBKCBALBIZ-UHFFFAOYSA-N;114.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293136;MM293136;N=CNC(=N)N(O)CCN;VBUJTAWHWGMGDE-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293137;MM293137;C=C(C=CCCN)C(C)O;DTRYUCNRDFGFFA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293138;MM293138;C=CNC(=N)N(O)CCO;MATCYSRTHKCGBW-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293139;MM293139;CCCC=CC(=O)C(C)C;XSUVATNFVFCIBN-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293140;MM293140;N=CNC(=N)N(O)CCO;CUDMGMWUSWOOHM-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293141;MM293141;CCN1CC1C(N)=O;MGEKGZLCHBNEHF-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293142;MM293142;C=CNC(=O)N(O)CCO;UWWWIBTUPISJGF-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293143;MM293143;CC(C)C(=O)C=CCCF;JVPWRISWPFTYMB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293144;MM293144;N=CNC(=O)N(O)CCO;HICZBUPHNAIKSO-UHFFFAOYSA-N;147.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293145;MM293145;CCCC=CC(=O)C(C)O;UWPSVTSYXWNHHW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293146;MM293146;O=CNC(=O)N(O)CCO;MQKDMGJPOKXNAB-UHFFFAOYSA-N;148.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293147;MM293147;CC(O)C(=O)C=CCCF;SMIGBEVQHZQSOD-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293148;MM293148;C=CNC(=O)N(O)CCF;HPZCUOXPZKFSGI-UHFFFAOYSA-N;148.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293149;MM293149;CCCC=CC(=O)C(C)F;ZZSZOLNFRVIUST-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293150;MM293150;O=CNC(=O)N(O)CCF;CWPSDURRYOPNLM-UHFFFAOYSA-N;150.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293151;MM293151;CC(F)C(=O)C=CCCF;QLWFBGZMWPYNEE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293152;MM293152;C=NNC(=N)N(C)CCN;DDNFBWZHLBJALW-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293153;MM293153;C=C(C=CCNC)C(C)C;PTIYDTCBQOWISM-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293154;MM293154;C=NNC(=O)N(C)CCN;IEKOUSIYTOCCCV-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293155;MM293155;C=C(C=CCNC)C(C)O;LNNWVMRVNYKDHP-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293156;MM293156;C=NNC(=N)N(N)CCO;SLVCAOKQBAEHCR-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293157;MM293157;C=C(C=CCNC)C(C)F;DWNMVLNOVRQMRN-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293158;MM293158;C=NNC(=N)N(N)CCF;AXJSNPZPCPNOKW-UHFFFAOYSA-N;147.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293159;MM293159;CNCC=CC(=O)C(C)C;NLVPLHWFCPZFOZ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293160;MM293160;C#CC(=C)C=CCNC=O;ZBQBDEADPZGPDV-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293161;MM293161;CCNC=CC(=O)C(C)C;UJJXRQYWYGQCHA-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293162;MM293162;C=NNC(=O)N(O)CCO;PFRLHIXENNYFSW-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293163;MM293163;C=C(C=COCC)C(C)F;TVETXZOUBNOOHQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293164;MM293164;CC1(CF)NC1CCCO;OJACUGSIENJBMO-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293165;MM293165;C=C(C=NNCC)C(F)F;RABKIWNEYDNORD-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293166;MM293166;N=C(OC=O)N(N)CCF;BRLZAKBMSMXURG-UHFFFAOYSA-N;149.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293167;MM293167;CC1C(C(N)=O)N1C;ACRYOLHCHZYZCA-UHFFFAOYSA-N;114.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293168;MM293168;CC1(C#N)NC1CCCO;DNDQZPVYGLRUBZ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293169;MM293169;C#CC1(C)NC1CCCO;VECZCBIKLWXYEI-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293170;MM293170;CCNN=CC(=O)C(C)O;HKOKROVAXIQZLX-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293171;MM293171;C=NOC(=N)N(C)CCF;VCZUGFFTJORLTM-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293172;MM293172;C=C(C=NOCC)C(C)C;JGPXGMLJPRDLMJ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293173;MM293173;C=NOC(=O)N(C)CCC;XTXPQRCNLCMYMZ-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293174;MM293174;C=C(C=NOCC)C(C)F;SGUBSVKBVLNHIY-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293175;MM293175;C=NOC(=O)N(C)CCN;VLSKFHHUQLVFSA-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293176;MM293176;CN(C)C(=O)C=CCCN;DIGPFTPDCOPRJW-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293177;MM293177;C=NOC(=N)N(N)CCC;AKFJGPWLGQVQSF-UHFFFAOYSA-N;144.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293178;MM293178;CC(C)=NNCC(N)=O;MZGYNEFPGHCSAD-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293179;MM293179;CC=C(CCF)C(=O)NC;PUTHAYGYHHFJLL-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293180;MM293180;CCCC=CC(=O)N(C)O;FXDJVTWTDWLGDO-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293181;MM293181;C#CC(CCCO)NN=C;XKCRFQLHXGNKRK-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293182;MM293182;CNCC=CC(=N)N(C)C;RRCAIXIKGHUZHD-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293183;MM293183;C=NOCC(=CN)C(N)=O;OVIOLZZKCOFNAY-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293184;MM293184;COCC=CC(=N)N(C)N;HSRQUILCINFDQC-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293185;MM293185;CC1NC1(C#N)CCCO;YYPWOZWBIUIDGF-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293186;MM293186;COCC=CC(=O)N(C)O;IDPRBQZAOMETBL-UHFFFAOYSA-N;145.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293187;MM293187;C=CCC(=N)N(C)NCC;PCZWDBDRMUPANL-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293188;MM293188;CCNC=CC(=N)N(C)N;QPAPTRHWTGWSKR-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293189;MM293189;CCN(C=O)CCCCO;OUNHLJJEVDXNOV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293190;MM293190;CCOC=CC(=O)N(C)C;CCYMTDMJFMJUPX-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293191;MM293191;CCON(C)C(=N)NC=N;NEOKTGPZVSFOPM-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293192;MM293192;CCNN=CC(=N)N(C)C;VBELBPVVCNQVCE-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293193;MM293193;CNN(C=O)CCCCO;BARWGMYTMOKBIN-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293194;MM293194;CC(CCNC=O)=NN;AMABMXXURYDTSZ-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293195;MM293195;CCON(C)C(=O)NC=O;HTRZQKFVKSZEKF-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293196;MM293196;CCON=CC(=N)N(C)C;MBSBCCSYNQUFKA-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293197;MM293197;C=NNC(=O)N(C)OCC;RMDPFGIKVZUGPX-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293198;MM293198;C#CCc1ncc(N)o1;NKAQVRPDSPFWQY-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293199;MM293199;C=NOC(=O)N(C)OCC;REQKQMQXBVCIIY-UHFFFAOYSA-N;146.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293200;MM293200;C=CCC=CC(=C)C(C)C;UGAZXBDWFNKGJO-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293201;MM293201;C#CCC(=C)C(C)CCC;AHZFWAVDZLOBMU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293202;MM293202;C=C(C=CCC=O)C(C)C;USQAKODDJMABTE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293203;MM293203;C#CC(CCNC=O)OC;WLQCOBGZZJYMMU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293204;MM293204;C=C(C=CCC#N)C(C)C;JXFZDAQFCWZZAC-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293205;MM293205;C#CCC(=O)C(C)CCF;UEXOQLOTJKRLPE-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293206;MM293206;CNc1onc(F)c1C;VNFMXQYKOHXGRU-UHFFFAOYSA-N;130.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293207;MM293207;C#CCC(=C)C(N)CCF;RHHPKVOQSUTGGF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293208;MM293208;C=CCC1NC1C(N)=O;DJBJPISSCANXCU-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293209;MM293209;C#CCC(=C)C(O)CCN;UYSXGAAVTJKCEJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293210;MM293210;C=CCN1CC1C(N)=O;FDMUGZNRYGWNKM-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293211;MM293211;C#CCC(=C)C(O)CCO;WMQLPVOPMKWXIY-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293212;MM293212;C#CCC(=O)C(O)CCO;XNNCAYDJZUDUMJ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293213;MM293213;C=CCC=CC(=O)C(C)C;OORINNHHTXGWGX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293214;MM293214;C#CCC(=C)C(C)CNC;RXVSPGGKRFFXFS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293215;MM293215;CC(C)C(=O)C=CCC=O;INXHCUHCLOOYBR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293216;MM293216;C#CCC(=O)C(C)CNC;LTHSTPMKKLKJPH-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293217;MM293217;CC(C)C(=O)C=CCC#N;PVXFMEFFQSGWOQ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293218;MM293218;C#CCC(=C)C(N)CNC;UOMRWHSFYIBTHO-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293219;MM293219;N#CCC=CC(=O)C(F)F;GRYCRMWFHBZPSD-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293220;MM293220;C#CCC(=O)C(O)CNC;GAOBHYVFQQPEPQ-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293221;MM293221;C=C(C=CNC=N)C(C)C;VBCFEHGSTNPQAJ-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293222;MM293222;C#CCC(=C)C(C)COC;VYHNXNHPYATQDH-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293223;MM293223;C=C(C=CNC=N)C(C)O;UOMBICKYZYIXAW-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293224;MM293224;C#CCC(=C)C(N)COC;HAPJIPDSHJXGAL-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293225;MM293225;C=C(C=CNC=N)C(C)F;BGIBWZWXFXDHBS-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293226;MM293226;C#CCC(=C)C(C)OCC;JDWLFJOFNFIVIC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293227;MM293227;C=C(C=CNC=O)C(C)F;WOWISEZTZJFICN-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293228;MM293228;C#CCC(=N)N(C)CCF;JLMAZSRBBDDRIV-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293229;MM293229;CC(C)C(=O)C=CN=CN;ZYQDXEUITOBQPQ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293230;MM293230;C#CCC(=N)N(N)CCF;YCZHTSOZLQMWLE-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293231;MM293231;N=CNC=CC(=O)C(F)F;JMOGOLAWOSJSOW-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293232;MM293232;C#CCC(=O)N(C)NCC;BCVHXHHKICPPNS-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293233;MM293233;C#CC1C(=O)C(C)N1C;MZNLSDXRQUGKER-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293234;MM293234;C=CCC(C)C(=C)CCC;LYYBRTYRZBOYME-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293235;MM293235;C=COC=CC(=C)C(C)C;OIGRFFXLNHZROH-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293236;MM293236;C=NN(C=O)CCCCO;DBQBHEAVQOMFIV-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293237;MM293237;C=COC=CC(=C)C(C)N;QLLFGXSZALEPJB-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293238;MM293238;C=C(CCF)C(C)CC=O;OIPRNRWDVYGFEY-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293239;MM293239;C=COC=CC(=C)C(C)O;RYMUKMYGNQWBDF-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293240;MM293240;C=CCC(C)C(=O)CCC;DNNMDDWZAIRGOI-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293241;MM293241;C=C(C=COC=O)C(C)O;JPUOQBWHUUGVIV-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293242;MM293242;C=CCC(C)C(=O)CCF;VRFUGLSWUQMUHP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293243;MM293243;C=COC=CC(=O)C(C)C;WRMOVQYCEHXLCH-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293244;MM293244;CC(CC#N)C(=O)CCO;DMHDHQWYKULGRU-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293245;MM293245;CC(C)C(=O)C=COC=O;LVKPJIAQQFJDEM-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293246;MM293246;C=CCC(N)C(=C)CCC;BOEMOZMFKIGBEI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293247;MM293247;C=CC1NC1CNC=O;IGQRJTXMMJEJPL-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293248;MM293248;C=CCC(N)C(=C)CCO;RHNXCOXHAULASH-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293249;MM293249;C=C(C=NNC=N)C(C)N;QOHUFHFGKOYVOS-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293250;MM293250;C=CCC(N)C(=C)CCF;JERLGYVBEVDROB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293251;MM293251;C=C(C=NNC=O)C(C)O;ZYGZPKGQNKUSPP-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293252;MM293252;C=CCC(O)C(=O)CCC;TVJSBUOTKJVQNA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293253;MM293253;C=C(C=NNC=O)C(C)F;PKIJGLJEROLZKT-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293254;MM293254;N#CCC(O)C(=O)CCO;RIYBBGWLXOAJKU-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293255;MM293255;C=COC(C)(C)CNC=O;JWFCRIYUNKOZMS-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293256;MM293256;C=CCC(F)C(=O)CCF;HIEDSKNWPUFSKE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293257;MM293257;CC(O)C(=O)C=NNC=O;RSLYKJGOBNRWNW-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293258;MM293258;N#CCC(F)C(=O)CCO;BWLTUXXJOCFISD-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293259;MM293259;CC(O)C(=O)C=NOC=O;FYIYVPCMGFQSEB-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293260;MM293260;C=CCC(C)C(=C)CNC;MZIKMBINKVQCQT-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293261;MM293261;C=CN=CNC(=N)C(C)C;XULPDFOAIKVJFY-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293262;MM293262;C=C(CNC)C(C)CC=O;SLPKCOYUKLICJC-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293263;MM293263;C=CN=CNC(=N)C(C)N;XQEUYGXULNCTAU-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293264;MM293264;C=CCC(C)C(=O)CNC;DPJZJSVYIWWEBS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293265;MM293265;C=CCC=CC(=O)N(C)O;CLIZRGFAFHFMEE-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293266;MM293266;C=CCC(C)C(=C)COC;ZFCGBVRUYBKOTF-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293267;MM293267;CN(C)C(=N)C=CNC=N;OHUYFIKBNXCHDD-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293268;MM293268;C=C(COC)C(C)CC=O;AKBZBDPXBGJJBO-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293269;MM293269;CN(C)C(=N)C=CNC=O;QRHVZKWOEFTCGG-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293270;MM293270;C=CCC(N)C(=C)COC;NGXNBACUDMLPHY-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293271;MM293271;CN(O)C(=N)C=CNC=N;QIJZKSKYMZNVHC-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293272;MM293272;C=C(COC)C(O)CC#N;QECRNMCBEHMLLU-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293273;MM293273;C=C(COC)C(F)CC#N;LCPQQFISJHQEOM-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293274;MM293274;CN(C)C(=O)C=CN=CN;LUKPTMYISYTXLQ-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293275;MM293275;C=CCC(C)C(=N)NCC;GCCYZFCXPPTGLI-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293276;MM293276;CN(C)C(=O)C=CNC=O;NGAFDZQPWOMWIB-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293277;MM293277;CCNC(=N)C(O)CC#N;BWPLIYJUWAFBHB-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293278;MM293278;CN(N)C(=O)C=CN=CN;ZIPVSVOFQYZKEH-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293279;MM293279;CCNC(=O)C(O)CC#N;ZCWUXLAYCPRAIY-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293280;MM293280;C=NNC=CC(=N)N(C)O;SXMSJFBCIKREGR-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293281;MM293281;C=CCC(F)C(=O)NCC;GEMRUROMABPGKW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293282;MM293282;C=COC=CC(=N)N(C)C;IRTVKDMHRNKLTG-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293283;MM293283;CNNC(=N)C(O)CC#N;NXOAYRZAVAACOE-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293284;MM293284;CN(C)C(=N)C=COC=O;QNZHESSUQQPAKL-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293285;MM293285;C#CC(C#N)NN=CC=O;QBPCGTFDRPXHNI-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293286;MM293286;CN(C)C(=N)C=NNC=N;MVAQTRDTBGURSO-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293287;MM293287;CC=Cn1ncc(NN)n1;OWZJLLFFIOORPF-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293288;MM293288;CN(C)C(=N)C=NNC=O;PUOTVUNPIQLHDM-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293289;MM293289;C=CCC(C)C(=N)NOC;CJQLWMJMLCBXHF-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293290;MM293290;CC(=CF)CC(C)C(N)=O;BSKKMXULWRLUDO-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293291;MM293291;C=CCC(C)C(=O)NOC;XTYPQKHWCRZNHM-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293292;MM293292;CN(C)C(=O)C=NNC=O;YQRACCUVSJOUQT-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293293;MM293293;CONC(=O)C(C)CC#N;BTNAGDQDJGXFNA-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293294;MM293294;C=CN=CNC(=N)N(C)N;GVXSHIYBZPUNBX-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293295;MM293295;NN=c1oc(=NO)[nH]n1O;LHYPXAXQXBNNTJ-UHFFFAOYSA-N;147.09;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293296;MM293296;C=CN=CNC(=N)N(C)O;VJDSDZAYMOESPT-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293297;MM293297;N#CC#Cc1noc(=N)[nH]1;NIEDOZHJPKWXKZ-UHFFFAOYSA-N;134.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293298;MM293298;C=C(F)CCC(C)C(N)=O;OYFVSAYHHQSUBX-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293299;MM293299;C=C(OCC)C(C)CC=O;JROZFNCRPBZVHW-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293300;MM293300;C=C(C)CNC(=O)C(C)C;SMLYGGUGIQURRM-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293301;MM293301;C=CCC(N)C(=C)OCC;PDGGYPFSKKCKFW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293302;MM293302;C=CN=CNC(=O)N(C)O;QFQQHVVZKLGKJA-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293303;MM293303;C=C(OCC)C(O)CC#N;GYWXPUHYYJTCMH-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293304;MM293304;C=NNC(C)CC(=O)CF;SYSUJYITELLMFM-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293305;MM293305;CCOC(=O)C(O)CC#N;OGQXDINSKCQLEE-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293306;MM293306;C#CCC=CC(=O)C(C)C;AUIGUYOJZAAESH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293307;MM293307;CCOC(=O)C(F)CC=O;BSCUVASNXKZECF-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293308;MM293308;C#CCC=CC(=O)N(C)O;SCOZLFMRCLYMDY-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293309;MM293309;C=C(CCC)C(C)NC=N;IDAISYRWAHLIQO-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293310;MM293310;C=C(C)C(=C)C=CCCN;OKTHAYRQGAUAMV-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293311;MM293311;C=C(CCF)C(C)NC=N;MXWXJSRNNWNODW-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293312;MM293312;CCNC(N)=CC(=O)NC;ZSKJPBYOSIXERO-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293313;MM293313;CC=NN1CC1CCCO;SKVKJQVIPWBLRP-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293314;MM293314;C=C(C=CCCC)C(C)=O;UXFZYTQZAYNGET-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293315;MM293315;C=NNC(C)C(=C)CCC;ODMUIHCMWGHZAH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293316;MM293316;CC(=CC(N)=O)N(C)C=O;SIUPCYOMNOSNPU-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293317;MM293317;C=NNC(C)C(=C)CCF;VCYLQAKBBYZOLY-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293318;MM293318;C=C(C=CCCF)C(C)=O;GXJJCWUUTYGXAH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293319;MM293319;C=NOCOCCCCO;JCCCKNMBLOBQKZ-UHFFFAOYSA-N;147.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293320;MM293320;C=C(C=CCCN)C(=N)N;IQHMOBCVWBYMEB-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293321;MM293321;C=NNC(C)C(=C)CNC;JWHAOINDVYXVET-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293322;MM293322;C=C(C=CCCF)C(=N)N;NMXMWIVYYACQIO-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293323;MM293323;CNNC(=O)C(C)N=CN;HJQBCFPCFQVENR-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293324;MM293324;C=C(C=CCCN)C(N)=O;YOGYKTKLERFXGI-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293325;MM293325;C=NNC(C)C(=N)NCC;GRZYNMVZEALOBM-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293326;MM293326;C=C(C=CCCC)C(=O)O;SKLVETJRROAPAO-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293327;MM293327;C=NN1CC1(C)C(=O)O;UFTKEMFDDGSDTP-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293328;MM293328;C=C(F)C(=C)C=CCCC;QBACGYAWHCVEHP-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293329;MM293329;CCC=NOCCCCO;QMMYIDKSQCGXDC-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293330;MM293330;C=CCN(CC(N)=O)N=C;OIBNWOSLDAJPIU-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293331;MM293331;C=COC(C)C(=C)CCN;HSBCXSDLFOGHGM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293332;MM293332;C=C(C)C(=O)C=CCCC;JACFRNBNXFREIA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293333;MM293333;C=COC(C)C(=O)CCC;ACQWKTCMQFRNRH-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293334;MM293334;C=CC(NC(C)=O)C(C)C;NPEVBTQQRURHMV-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293335;MM293335;C=COC(C)C(=O)CCF;HVHBZTXCIAUPAK-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293336;MM293336;C=C(C)C(=O)C=CCCF;IEFBAIDFVSERRT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293337;MM293337;CC(OC=O)C(=O)CCF;TUCQQYUHJZBMRT-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293338;MM293338;NC(=O)C(=O)C=CCCF;CZYOOWDCNVCSJC-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293339;MM293339;COCC(=O)C(C)OC=O;MQCKVTRCHIGIKY-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293340;MM293340;O=CC1(F)CC(C(=O)O)C1;JAIZBVFHGAURAY-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293341;MM293341;C=NOC(C)C(=C)CCN;LOQOCTWJVFSSFW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293342;MM293342;C=C(F)C(=O)C=CCCC;AZTPDQXDNSXBMY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293343;MM293343;C=NNC=NCCCCO;OAYSKUKDKHWPSX-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293344;MM293344;C=C(C=CCNC)C(N)=O;XJOYQSHSCHESMV-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293345;MM293345;C=CC=NOCCCCO;KNIPUDRWJPFAFN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293346;MM293346;CNCC=CC(=O)C(=N)N;YAOYOJMZDPHCNI-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293347;MM293347;C=NOC(C)C(=N)NOC;UHTAURCHXOPAFY-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293348;MM293348;CNCC=CC(=O)C(N)=O;CHVKWGBDCMUAGZ-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293349;MM293349;CCOC(=O)C(C)OC=O;AHQYKPUMWRHYQC-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293350;MM293350;COC(=O)C(C)(C)C(=O)O;ZFYWXMJNWOVLMZ-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293351;MM293351;CN(CC=O)C(=N)CCO;CMFBLSVMVGZOOC-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293352;MM293352;C=C(C)C(=O)C=CCOC;YVMNIKRVFHRBGK-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293353;MM293353;CN(CC#N)C(=N)CCO;YRZDOIMOANRCLQ-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293354;MM293354;C=C(C)C(=O)C=CNCC;WDGVFMAYMWGVFR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293355;MM293355;C=CCN(C)C(=O)CCC;FRVBDNGNWPJXCO-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293356;MM293356;CCNC=CC(=O)C(N)=O;WSPCKWKSXUZZEM-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293357;MM293357;CN(CC#N)C(=O)CCO;SZLVYBXUVMTKQM-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293358;MM293358;C=C(C)C(=C)C=NNCC;OPDIUTNVNQUXJX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293359;MM293359;C=CCN(O)C(=N)CCN;QMFOYZJITCQFIV-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293360;MM293360;CC=NN=CC=CC(N)=O;KAOAVVJOSWZOET-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293361;MM293361;CNCC(=N)N(C)CC#N;OVLURDRZMXZDOQ-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293362;MM293362;C=C(C=NNCC)C(=N)N;XSAAUMYGXJZXLF-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293363;MM293363;C=CCN(N)C(=O)CNC;MFMCAZXITQZKLF-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293364;MM293364;C=C(C)C(=C)C=NOCC;ONROALMLTMZKAN-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293365;MM293365;C=CCN(C)C(=N)COC;CMBLDOXVKKBOBP-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293366;MM293366;C=CCC#CC=CC(N)=O;XTHWHVHCIXLDEF-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293367;MM293367;COCC(=N)N(C)CC=O;JNBZZWHZFXYPCP-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293368;MM293368;C=C(F)C(=C)C=NOCC;KSLXFCMJTZOUBY-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293369;MM293369;COCC(=O)N(C)CC#N;NVMPULNISUHHJL-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293370;MM293370;CCON=CC(=O)C(N)=O;NOMUQKOOVNVJRQ-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293371;MM293371;C=CCN(C)C(=O)NCC;LBAGRLZVAMJJHH-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293372;MM293372;C=CCC=CC(=C)C(=C)C;IGAFNPMGCFPIMJ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293373;MM293373;CCNC(=O)N(C)CC=O;RGOIPWDENQRBOJ-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293374;MM293374;C=C(C)C(=C)C=CCC=O;CKLCWDKGDPNEQT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293375;MM293375;C=CCN(O)C(=N)NCC;ZKTCODIGZBCKNK-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293376;MM293376;C=C(C=CCC=O)C(C)=O;JNDDTPUJGPSESL-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293377;MM293377;CCNC(=N)N(O)CC=O;FXSJWGPLRQBDBY-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293378;MM293378;C=C(C=CCC#N)C(C)=O;OBNFJVGTQYYPAB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293379;MM293379;CN1C(C#N)C1CCCO;UVJKANKBBJKRBH-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293380;MM293380;C=C(F)C(=C)C=CCC=O;JTMYIIYFJSHQFN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293381;MM293381;CNNC(=O)N(O)CC=O;YDTRQKNAIKUMSE-UHFFFAOYSA-N;147.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293382;MM293382;C=CCC=CC(=O)C(=C)C;JXSXJIMANLDFQC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293383;MM293383;CONC(=N)N(C)CC=O;YSHLCQOSTZRYJP-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293384;MM293384;C=C(C)C(=O)C=CCC=O;BBKYGACNESFIAM-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293385;MM293385;C=NN1C(C)C1CCCO;NNNDZLMCZCPWHC-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293386;MM293386;C=C(C)C(=O)C=CCC#N;WTJCYUSRCROMAB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293387;MM293387;CN(NC=N)C(=N)CCO;IQGKEAXTECRDLS-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293388;MM293388;N#CCC=CC(=O)C(=O)O;DXRSSFQGFIQVRK-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293389;MM293389;NC(=O)C=C(N)CF;XETIYEBPBHBRDA-UHFFFAOYSA-N;118.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293390;MM293390;C=CCC=CC(=O)C(=C)F;PLCHUGQOVWEXKW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293391;MM293391;CN(NC=O)C(=O)CCO;RMSPGAZAXORDEP-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293392;MM293392;C=C(F)C(=O)C=CCC=O;YJPQSMYWMBONMN-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293393;MM293393;CNCC(=O)N(C)NC=O;IZXKBAYJUIWDMA-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293394;MM293394;C=C(F)C(=O)C=CCC#N;UDQJNAJJKGMGNL-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293395;MM293395;COCC(=N)N(C)NC=N;APXIJZXNHAFZBR-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293396;MM293396;C=C(C)C(=C)C=CNC=N;BVQQBGDXVJAAEY-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293397;MM293397;COCC(=N)N(C)NC=O;IZZFLHOSBHUBDO-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293398;MM293398;C=C(C)C(=C)C=CNC=O;KNDSIRHUXSLBOS-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293399;MM293399;COCC(=O)N(C)NC=O;UPMQMIVFMUXOFF-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293400;MM293400;C=C(C=CNC=O)C(C)=O;HWHBHDYVEVAZQF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293401;MM293401;CCNC(=O)N(C)NC=O;AMRVKZAUQGXVDL-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293402;MM293402;C=C(C=CNC=O)C(N)=O;WONIWFMCBUOMFP-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293403;MM293403;CNNC(=N)N(C)NC=N;RRTAHAOXPPNCSH-UHFFFAOYSA-N;144.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293404;MM293404;C=C(C)C(=O)C=CNC=O;FOFUSHWOXGOHOP-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293405;MM293405;CNNC(=N)N(C)NC=O;BUBDRTDKVVGHMZ-UHFFFAOYSA-N;145.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293406;MM293406;CC(=O)C(=O)C=CN=CN;KLYNDCDKTGNMAH-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293407;MM293407;CNNC(=O)N(C)NC=N;CQHBXRDTEFZZQD-UHFFFAOYSA-N;145.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293408;MM293408;CC(=O)C(=O)C=CNC=O;HWOLCBIHVBQSOV-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293409;MM293409;CNNC(=O)N(C)NC=O;YMBSKHUGTOLQBT-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293410;MM293410;C=C(C=NN)CCNC=O;GAAIHPAERIEFEZ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293411;MM293411;CONC(=N)N(C)NC=N;IMBUQLYPPJTLAB-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293412;MM293412;C=C(C)C(=C)C=COC=O;DCYLBBDMAWFJQW-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293413;MM293413;CONC(=N)N(C)NC=O;FGIJCYVSAKPOLS-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293414;MM293414;C=COC=CC(=C)C(C)=O;DKNAOJZVHPVEFD-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293415;MM293415;CONC(=O)N(C)NC=N;RPZUFUFXCCFWCV-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293416;MM293416;C=C(C=COC=O)C(C)=O;VFEUSTKZPDAXCY-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293417;MM293417;CONC(=O)N(C)NC=O;ZKCMDTOPVTVADX-UHFFFAOYSA-N;147.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293418;MM293418;C=COC=CC(=C)C(=N)N;DIWLKFVQZNPLLG-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293419;MM293419;CCOC(=O)N(C)NC=N;AQZTUWQSBIJANK-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293420;MM293420;C=C(C)C(=O)C=COC=O;IPJSDYNTVVVXHU-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293421;MM293421;CNNC(=N)N(C)OC=O;FDRWJEMQIPJCDH-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293422;MM293422;C=COC=CC(=O)C(C)=O;UCLPNEUHTYRNRB-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293423;MM293423;CCOC(=O)N(C)OC=O;FBGQJZRDMRSONN-UHFFFAOYSA-N;147.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293424;MM293424;C=COC=CC(=O)C(=N)N;JWRMVIOYLLQMKI-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293425;MM293425;C=CCC(=C)C(C)CC=C;JLEXMEVFYMWKMD-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293426;MM293426;N=C(N)C(=O)C=COC=O;KOHJYFZHRREEJV-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293427;MM293427;C=CCC(C)C(=C)CC=O;AKOZFDSSJDNUAC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293428;MM293428;C=COC=CC(=O)C(N)=O;AHZXQBCOHSYVNT-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293429;MM293429;C=CCC(C)C(=C)CC#N;JOPBVNUZTUAPMB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293430;MM293430;C=COC=CC(=O)C(=C)F;UFQUAIKDMYJACT-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293431;MM293431;C=CCC(=C)C(C)CC=O;CTCMJVVCUZYZFZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293432;MM293432;C=C(C)C(=C)C=NNC=O;QSCKHGOASKWLQA-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293433;MM293433;C=CCC(=C)C(C)CC#N;APIHNQZARRPLCE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293434;MM293434;C=C(C=CC)C(=O)NCC;LXPOYFNOTLZQEV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293435;MM293435;C=C(CC=O)C(C)CC#N;WCYNGEBNTQDESR-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293436;MM293436;C=C(F)C(=C)C=NNC=O;VRGSYRBMSPPDQW-UHFFFAOYSA-N;142.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293437;MM293437;C=C(CC#N)C(C)CC=O;YMOVPTSWHJZXAE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293438;MM293438;CC(F)C(C)CCNC=O;IUCOHEMXRBXQOG-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293439;MM293439;C=CCC(=O)C(C)CC=C;MNAWFLSUVABPJF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293440;MM293440;C=C(C)C(=C)C=NOC=O;DVRFUGKDROPMMU-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293441;MM293441;C=CCC(=O)C(C)CC=O;QCTBWIXBHTZMBY-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293442;MM293442;CC(=O)C(=O)C=NOC=O;WUSVVXCDDFBXCA-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293443;MM293443;CC(CC=O)C(=O)CC#N;PSVYVFBKXKOIHB-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293444;MM293444;N=C(N)C(=O)C=NOC=O;IQSOQBJLNAOTQE-UHFFFAOYSA-N;143.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293445;MM293445;C=C(CC#N)C(O)CC=O;QKVZTPPOXMCALB-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293446;MM293446;C=CN=CNC(=N)C(=C)C;OXCSQPAPDQGZHJ-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293447;MM293447;N#CCC(=O)C(O)CC=O;JMBJUPKXJINFOH-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293448;MM293448;C=CN=CNC(=N)C(=N)N;RTCFJPJCPQYAMH-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293449;MM293449;C=CCC(F)C(=C)CC=O;FTKINTRMKLUIBR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293450;MM293450;CC(C=O)OC=CC(=O)O;STPVUYMUGSEVPU-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293451;MM293451;C#CCC=CC(=C)C(=C)C;DGNDLXPADWQSAM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293452;MM293452;C=C(CC#N)C(F)CC=O;MPTCJHDRUOQBDL-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293453;MM293453;C#CCC=CC(=C)C(C)=O;OZDSUGBCIXFAOQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293454;MM293454;C=CCC(C)C(=C)NC=N;NPUGLFCXTGMBSD-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293455;MM293455;C#CCC=CC(=C)C(=N)N;SAPGNCNWMVXTHX-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293456;MM293456;C=C(NC=O)C(C)CC=O;UGERMRSHDZBTDA-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293457;MM293457;C#CCC=CC(=O)C(=C)C;HEWRALLCBUKXOT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293458;MM293458;C=CCC(C)C(=N)NC=C;INMDJNFAIJBCIW-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293459;MM293459;C#CCC=CC(=O)C(C)=O;QUAKQNMNOMOGKX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293460;MM293460;CC(CC=O)C(=N)N=CN;LMTCXWHRNCYUNS-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293461;MM293461;C#CCC=CC(=O)C(=O)O;ONJDSRROASTRKI-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293462;MM293462;Cc1cc(NN)n[nH]1;WHYRCMNYWYQBFX-UHFFFAOYSA-N;112.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293463;MM293463;C#CCC=CC(=O)C(=C)F;IPENWESBFDOHRY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293464;MM293464;CC(CC=O)C(=O)NC=O;PPWVQHLJSOLLOX-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293465;MM293465;CC(N)C(C)C=CC=CF;JOWGKOTZWIEPHK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293466;MM293466;C=C(NC=N)C(O)CC#N;AZJAXIOLQYATLK-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293467;MM293467;CC(C)C(N)C=CC=CF;LWESSBFFUSCVIX-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293468;MM293468;C=C(NC=O)C(O)CC#N;VOQGSEGVRKPFQH-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293469;MM293469;C=NOC(C)C(C)C(N)=O;UUBOWCBUFZOLNP-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293470;MM293470;C=CCC(O)C(=N)NC=O;XICPFKZUEHBLJJ-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293471;MM293471;CC=CC=CC(O)C(C)N;IFVKDHUOCXGESI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293472;MM293472;C=CNC(=N)C(O)CC#N;FEFWACLCUPLNMU-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293473;MM293473;CC(N)C(O)C=CC=CF;NCPXTCGTKXNLLR-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293474;MM293474;N#CCC(O)C(=N)NC=N;DDWKHGDUQRUFHF-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293475;MM293475;CC(C)C(C)C=CC=NN;GHYWZTRGRHJMDR-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293476;MM293476;N#CCC(O)C(=N)NC=O;HQGYFAGWPCCWRK-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293477;MM293477;CON=C(N)C(=O)C(C)=O;ZHLGTHULKARESR-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293478;MM293478;C=CNC(=O)C(O)CC#N;IARWDXLMOVPWSM-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293479;MM293479;CC(N)C(C)C=CC=NO;VVFMBLSJFDIBLJ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293480;MM293480;N#CCC(O)C(=O)NC=N;SVPKQTLGFHFEGS-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293481;MM293481;CC(C=CF)C(C)C(N)=O;MZNCRENFNHBEQI-UHFFFAOYSA-N;145.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293482;MM293482;C=CCC(F)C(=O)NC=C;JDVRSJABNKLKAQ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293483;MM293483;CC(F)C(C)C=CC=NO;AKGCJBVQQIQRFK-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293484;MM293484;C=CNC(=O)C(F)CC#N;ZAMQXMQPKBAJBF-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293485;MM293485;CC(C)C(N)C=CC=NO;UYUOFKAWEMYJLK-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293486;MM293486;N#CCC(F)C(=O)NC=O;GLTCAFZQEHKGMN-UHFFFAOYSA-N;144.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293487;MM293487;CC#CC(C)=C(C)C(N)=O;JIWZRAADTTYPFT-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293488;MM293488;C=CCC(F)C(=O)NN=C;RKMWIGCKKGJJSU-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293489;MM293489;N#CC1(CC(=O)C=O)CN1;MXQNLZRSGYFUCR-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293490;MM293490;CC=NN=CC(C)C(C)C;HJCQCFAUGMKMFY-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293491;MM293491;C=COC(=C)C(C)CC=O;KIKZJOSAWXJXTR-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293492;MM293492;CC=NN=CC(C)C(C)N;CYOMRAGZNIRGLG-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293493;MM293493;C=COC(=C)C(C)CC#N;ZXADVGQWVDWXQJ-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293494;MM293494;CC=NN=CC(C)C(C)O;XYDKWJPWXUIEOU-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293495;MM293495;C=COC(=C)C(O)CC#N;IKVSSRQCNMRAHL-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293496;MM293496;CC=NN=CC(C)C(C)F;PAWGCSSILWDHPY-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293497;MM293497;C=C(OC=O)C(O)CC#N;RLNDSVBLWZULFH-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293498;MM293498;CC=NN=CC(N)C(C)C;JXMKTTNCOOONSH-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293499;MM293499;C=COC(=O)C(O)CC=O;GPTNYQBUAIXNIM-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293500;MM293500;CC=NN=CC(O)C(C)C;NCVHQQMAGXOYPO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293501;MM293501;C=C(OC=O)C(F)CC#N;ODGXNULCEKYBLM-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293502;MM293502;CC=NN=CC(O)C(F)F;OSQSKBPFXFHZSV-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293503;MM293503;C=CCC(F)C(=O)OC=C;ULVICDBKHXDNDB-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293504;MM293504;CC=CC=CC(C)N(C)C;LYYOCLZAFWSBMZ-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293505;MM293505;C=CCC(=C)C(C)NC=N;JUVGEKAVCJSTHB-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293506;MM293506;CC(C=CC=NO)N(C)C;UBGCIIGOTGWLBX-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293507;MM293507;C=C(CC=O)C(C)N=CN;JZRQJPFGLCFZBM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293508;MM293508;CN=CN=CN(C)C(C)C;XZLZMZOBNCMQOP-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293509;MM293509;C=C(CC#N)C(C)NC=N;WPIJMKVQKXKGSJ-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293510;MM293510;C=CC(=C)C(=C)C(=O)NC;KYAOVNIIGWQSAP-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293511;MM293511;C=C(CC#N)C(C)NC=O;UMWSGNXQUCEVQZ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293512;MM293512;CC=NN=CN(C)C(C)C;DGFYFTYCROSKLD-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293513;MM293513;C=CCC(=O)C(C)NC=O;LECGHUYAYBCHTJ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293514;MM293514;CC=NN=CN(N)C(C)C;NQVCRYCVNOSVKP-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293515;MM293515;C=CCC(=C)C(C)NN=C;XHUSKEZFYOHVRH-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293516;MM293516;CCC(CC=CF)C(N)=O;FULSGYAMZGVQBF-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293517;MM293517;C=CNC(=N)C(C)NC=O;BMSYOYUDBOQPRI-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293518;MM293518;CC=CC=NN(C)C(C)C;MYSZXKQBXMORDN-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293519;MM293519;CC(NC=O)C(=N)NC=N;MEVKJDOHUXBONJ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293520;MM293520;C=NNCC(=CN)C(N)=O;SBHVKNCDIURBQT-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293521;MM293521;CC(N=CN)C(=O)NC=N;ZXEORLDRFJLCHS-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293522;MM293522;CN(C)N(C)C=NC=NO;ZKBLGQWNCVASPW-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293523;MM293523;C=NNC(=O)C(C)N=CN;AQUJRCLICGHMPQ-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293524;MM293524;CC=NN=CN(C)N(C)C;SJMUMMLIKHUCRN-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293525;MM293525;C=C(C)C(C)C=CC=CC;LMCOIPLXQCUIAS-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293526;MM293526;C=NNC(C)C(=C)NC=N;XAHZAWUGROAMJP-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293527;MM293527;C=C(C)C(C)C=CC=CF;KJDJFPVSUUASTL-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293528;MM293528;C=COC(=C)C(C)NC=O;KZJDGSHKGZIXMV-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293529;MM293529;CC=CC=CC(C)C(C)=O;PNFIYBQOUPIIHJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293530;MM293530;C=C(OC=O)C(C)NC=O;AUWPBFIDHTYKGC-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293531;MM293531;CC=CC=CC(C)C(=N)N;YHKTZAWVLJDRKL-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293532;MM293532;C=COC(C)C(=C)CC#N;QOUWILSRIHXLGM-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293533;MM293533;CC(C=CC=CF)C(=N)N;WFAQKYWBJDURHT-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293534;MM293534;C=C(CC=O)C(C)OC=O;PVKSGBCWHCWLFC-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293535;MM293535;C=CC(CCNC=O)=NN;FZBGGYVURJWSQZ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293536;MM293536;C=CCC(=C)C(C)ON=C;XBXYKWMKGLRDJU-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293537;MM293537;C=C(C)C(N)C=CC=CC;AAVYVSDEYAISKH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293538;MM293538;C=NOC(C)C(=C)CC#N;IVEUQVHWAWUZMJ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293539;MM293539;CCCN1C=NC(=NN)C1;JCTAGFBZNAVPNO-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293540;MM293540;C=COC(C)C(=C)NC=N;PBRGDRAQSHQBHV-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293541;MM293541;CC=CC=CC(F)C(C)=O;SAFIKUMYJNDFJO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293542;MM293542;C=COC(C)C(=C)NC=O;VPZPNKJBYYZMQQ-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293543;MM293543;CC=CC=CC(F)C(=O)O;WENZNWFJIMDKNS-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293544;MM293544;C=CNC(=N)C(C)OC=C;LPWMRBZHAAPGNJ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293545;MM293545;C=C(F)C(F)C=CC=CC;OKDOCHHFNUNJQC-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293546;MM293546;C=COC(C)C(=N)NC=O;KXKUFIIKEWCZNO-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293547;MM293547;C=C(C)C(C)C=CC=NN;YTZIXFZGJCVHGE-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293548;MM293548;C=CNC(=N)C(C)OC=O;ZBQBCJBJPLXOEH-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293549;MM293549;CC(F)C=COCC(=O)O;DFPFSDVXBXOKBT-UHFFFAOYSA-N;148.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293550;MM293550;C=CNC(=O)C(C)OC=C;PKHAKUODYXXBNX-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293551;MM293551;Nc1cnoc1F;RUDNNSYWLCAMMG-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293552;MM293552;Cc1onc(N)c1N;QNPZGYJAFJZBGE-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293553;MM293553;CC(=O)C(O)C=CC=NO;WAQACFLPXWDGBO-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293554;MM293554;C=CNC(=O)C(C)OC=O;IKOHFWKBUBUROB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293555;MM293555;COC(C(=O)O)C(C)(C)F;RZCHVYUSZMLPJI-UHFFFAOYSA-N;150.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293556;MM293556;CNN=CCNC=O;JBLUYWFIGKEXQZ-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293557;MM293557;O=C(O)CCOCC(F)F;PFFXQCPSPCUEAN-UHFFFAOYSA-N;154.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293558;MM293558;CNC(C)(C#N)CC=O;DLVIOCUKERRQIL-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293559;MM293559;COC=C(C)C(N)=O;UKFRRTBLGCQOHJ-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293560;MM293560;C=COC(C)C(=O)NN=C;KVXHGQFOQSDZIV-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293561;MM293561;O=CNCCN1CC1;DJBVJWGKZHQYRZ-UHFFFAOYSA-N;114.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293562;MM293562;C=COC(C)C(=O)ON=C;GGXCUYCPSYTJSQ-UHFFFAOYSA-N;143.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293563;MM293563;NC(=O)C(F)C=CC=NO;GSQJJYIDEORCNB-UHFFFAOYSA-N;146.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293564;MM293564;C=CCC(=N)N(C)CC=C;AMCHSDOZBTURDS-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293565;MM293565;C=CC(=O)NC(C)(C)C;XFHJDMUEHUHAJW-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293566;MM293566;CN(CC=O)C(=N)CC#N;JWANVRNMBSMZBM-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293567;MM293567;CC=NN=CC(N)C(=N)N;BUDYCWJBSOHWEC-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293568;MM293568;C=CCC(=O)N(C)CC=C;UCMZBCFCGCXGSS-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293569;MM293569;CC=NN=CC(O)C(C)=O;XOWBFWJQWNVRBB-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293570;MM293570;C=CCC(=O)N(C)CC=O;BFHODNMICDMXFT-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293571;MM293571;C=C(C)C(F)C=NN=CC;XJXHIRJGIXTXEI-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293572;MM293572;CN(CC=O)C(=O)CC=O;IATSPEUVCORNKP-UHFFFAOYSA-N;143.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293573;MM293573;CC=NN=CC(F)C(N)=O;QUUHDIIHJMPQKB-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293574;MM293574;CN(CC#N)C(=O)CC=O;RPXYHHJMVPABRG-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293575;MM293575;CC=CC=CN(C)C(C)=N;STEQIEPIXVBYRH-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293576;MM293576;CN(CC=O)C(=O)CC#N;SFXWDOWFQCKYCP-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293577;MM293577;CC=CC=CN(C)C(C)=O;IYQQFVWEPIIDSS-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293578;MM293578;C=C(NC=NN)C(N)=O;PZVSSDHVXDJZGW-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293579;MM293579;CC=CC=CN(C)C(=N)N;ZZAMOXMDBJNKMT-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293580;MM293580;NN=C(CC(=O)O)NO;MOETXEKCBQMBNU-UHFFFAOYSA-N;133.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293581;MM293581;CC=CC=CN(C)C(N)=O;FXJGYGDMKBHEPG-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293582;MM293582;C=CNC(=N)N(C)CC=O;QARNRSZYYAVMGO-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293583;MM293583;CC=CC=CN(N)C(C)=N;XGYNCGOXLZXZHE-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293584;MM293584;CN(CC=O)C(=N)N=CN;QDOMPUZNLFPNTJ-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293585;MM293585;CC=CC=CN(N)C(C)=O;LPSLHDXSSITAID-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293586;MM293586;CN(CC=O)C(=N)NC=O;YWCVVYMWEMHETK-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293587;MM293587;CC(=O)N(N)C=CC=CF;LUILDGCOXNXARU-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293588;MM293588;CN(CC=O)C(=O)NC=O;CFEYAIPKRMEVNR-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293589;MM293589;N=C(N)N(N)C=CC=CF;GZMDYBPIIFFKMM-UHFFFAOYSA-N;144.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293590;MM293590;C=NNC=CC(=O)NC;NAVXGLDQDVWLAB-UHFFFAOYSA-N;127.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293591;MM293591;C=C(C)CNC(=O)CC;WBZKVFRLYWYIGE-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293592;MM293592;C=CCN(O)C(=N)NC=N;SCMQVNDXTKIURI-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293593;MM293593;CC=CC=CN(O)C(C)=O;FONFIGDYXGZGSS-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293594;MM293594;N=C(N=CN)N(O)CC=O;BTIXTBHCMPIFJQ-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293595;MM293595;CC(=O)NCC1(C)CC1;GFRDGZRDSOWHEF-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293596;MM293596;CCNc1c[nH]c(F)c1;QBPZZEBMENQENT-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293597;MM293597;CC(=N)N(N)C=CC=NO;OXGFWWBIHUOPMP-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293598;MM293598;C=CCN(O)C(=O)NN=C;FQIJBESPQGLJOE-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293599;MM293599;N=C(N)N(N)C=CC=NN;QELMMBCHAWJCSI-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293600;MM293600;CC(C=CCO)=CC(N)=O;DEUFTIZCUKXCJM-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293601;MM293601;N=C(N)N(O)C=CC=NN;OVLLJZWAHAKTBV-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293602;MM293602;C=CCN(C)C(=O)ON=C;SMWWXLFWXONGAN-UHFFFAOYSA-N;142.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293603;MM293603;CC(=N)N(C)C=NC=NN;IZYQRGNTFSWDCQ-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293604;MM293604;CC(=O)N(C)C=NC=NO;DOZOFOXXEXEJSG-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293605;MM293605;CC(C=O)OC=CC(N)=O;JBKHMCGHGIYQMZ-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293606;MM293606;CN=CN=CN(C)C(=N)N;JHXBRWAVTBLMGO-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293607;MM293607;C=CCC(F)C(C)NC=O;GHBXFZWJEQOSNT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293608;MM293608;COCCC(C)NC=O;SEHQTXYOWDDGDX-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293609;MM293609;C=CCC(=N)N(C)NC=N;FLLDTPRYUNTRDV-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293610;MM293610;C=C(F)C(F)C(=N)NN;RMBGVXUTIOZXPZ-UHFFFAOYSA-N;135.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293611;MM293611;CN(N=CN)C(=O)CC#N;BPTRPXZEQUSIAR-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293612;MM293612;C=C(C)N(N)C=NC=NO;ZSZHTEHBVPVAGL-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293613;MM293613;CN(NC=O)C(=O)CC#N;GTXWOCAGGDKNMN-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293614;MM293614;CC(=N)N(N)C=NC=NO;MBYGVQSQLJAFIP-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293615;MM293615;C=CNC(=N)N(C)NC=N;CQSSLLGPMMDPJI-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293616;MM293616;CN=CN=CN(N)C(=N)N;PFXQIGUQSMPDEW-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293617;MM293617;CN(NC=N)C(=N)NC=N;PCKWKKHUDHIIQI-UHFFFAOYSA-N;142.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293618;MM293618;N=C(N)N(N)C=NC=NN;HFFQEZCLKKLKGT-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293619;MM293619;CN(NC=N)C(=N)NC=O;RVNKDDWARGTCIN-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293620;MM293620;N=C(N)N(N)C=NC=NO;UCUKUJWHHPVNOF-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293621;MM293621;C=CNC(=N)N(C)NC=O;ALSAZNXASNIEIP-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293622;MM293622;C=NNC(C=O)C(=C)F;BISTYJPQVAVDIA-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293623;MM293623;CN(NC=O)C(=N)NC=N;KTZUFFXDWGEWIA-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293624;MM293624;NC(=O)N(N)C=NC=NO;KMBAWLXIWKFQRL-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293625;MM293625;CN(NC=N)C(=O)NC=N;GSDVANXUTSKXKA-UHFFFAOYSA-N;143.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293626;MM293626;CC(=N)N(O)C=NC=NO;DMFKCQXSNGSUMR-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293627;MM293627;CN(NC=N)C(=O)NC=O;AAAJINDVFBMADM-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293628;MM293628;CN=CN=CN(O)C(=N)N;QKOVFLRZXYBSOV-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293629;MM293629;N=C(N)n1oc(F)nc1=O;ZWWGRPITQLLQJI-UHFFFAOYSA-N;146.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293630;MM293630;N=C(N)N(O)C=NC=NN;GCGWELKVIFJECL-UHFFFAOYSA-N;144.14;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293631;MM293631;CN(NC=O)C(=O)NC=O;WDKQDMAHWHWNDJ-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293632;MM293632;N=C(N)N(O)C=NC=NO;PEHSRSLEWKOOIA-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293633;MM293633;C=NNC(=N)N(C)NC=N;UZHCSLQQVZWRGV-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293634;MM293634;CN=CN=CN(O)C(N)=O;OZNZQWWOEDMGBZ-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293635;MM293635;C=NNC(=N)N(C)NC=O;NLTGLBWXJDXWSX-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293636;MM293636;C=C(C)N(C)C=NN=CC;BHIQSABXVUKGEM-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293637;MM293637;C=NNC(=O)N(C)NC=N;XXUSCIANRNEEMP-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293638;MM293638;CC=NN=CN(C)C(C)=N;QLIVLNPDBOINIL-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293639;MM293639;CN(NC=N)C(=N)OC=O;ULNSOSZSEMNPDS-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293640;MM293640;CC=NN=CN(C)C(C)=O;HXUSGCBBKMYEQZ-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293641;MM293641;C=CN(C=O)NCC(N)=O;ZRVXEYFLKILMGU-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293642;MM293642;CC(C=O)C1(C#N)CN1;TVVWCYAXWODMGW-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293643;MM293643;C=NOC(=O)N(C)NC=N;ZNEOLCRUOKSKTQ-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293644;MM293644;NN=CCCCNC=O;YPOCYTLNFNJTGN-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293645;MM293645;C=NOC(=O)N(C)NC=O;COGXGSPRVJIKKH-UHFFFAOYSA-N;145.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293646;MM293646;NN(C=O)C(=O)C1CN1;OKJSUZOPKKPWLE-UHFFFAOYSA-N;129.12;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293647;MM293647;C#CCC(=O)C(C)CC=C;FMZNKVGDKVWEHV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293648;MM293648;CN(N=CC=CN)C(=N)N;CINJVZBYLCJORD-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293649;MM293649;C#CCC(=O)C(C)CC=O;BWNMNQZAJQMSIV-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293650;MM293650;CN(N=CC=CF)C(=N)N;HFMHWEDBWVQKEJ-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293651;MM293651;CNC(=O)C(C)=CCCF;RMKRUELLWMJCPE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293652;MM293652;CC1C(CC(N)=O)C1(C)F;VUTJJDUNZBBZKJ-UHFFFAOYSA-N;145.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293653;MM293653;C#CCC(=C)C(O)CC#N;RYXYAFZQJXEBJS-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293654;MM293654;CN(CC=NN)CC(N)=O;WMGGPSIMHXDJSR-UHFFFAOYSA-N;144.18;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293655;MM293655;C#CCC(=O)C(O)CC=O;ALLDBQHUSUKIKY-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293656;MM293656;C=C(C=CC)CNC(C)=O;BSWOXBOAVRBTCT-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293657;MM293657;C#CCC(=C)C(C)NN=C;AHKGZZBATAMMOT-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293658;MM293658;CN(N=CC=NN)C(=N)N;MYIQTFSHEFISOF-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293659;MM293659;N=CN=CN(C=O)CC=O;WMQMABCMSBXZKS-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293660;MM293660;CC1CC1(F)CCC(N)=O;GUEIEJJFNSOYBU-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293661;MM293661;C#CCC(=C)C(C)OC=O;AWCNQTGBRXDSPE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293662;MM293662;C=C(C=CC=CC)C(C)C;QQLKVVLZUVNCOD-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293663;MM293663;C#CCC(=O)C(C)OC=C;RNGXAJHULAYRPA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293664;MM293664;C=C(C=CC=CF)C(C)N;SJSKAWNIVLOWTE-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293665;MM293665;C#CCC(=O)C(C)OC=O;SWJROJZGZJNOTM-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293666;MM293666;CNC(=O)CC(C)CCO;XZEGKLNXAIQEJU-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293667;MM293667;C#CCC(=C)C(C)ON=C;LILNBJIBRAGIGE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293668;MM293668;C=C(C=CC=CC)C(C)F;NPJZHNYSZXXJEI-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293669;MM293669;C#CCC(=N)N(C)CC#N;GTQKVJXINGOWBN-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293670;MM293670;CC=CC=CC(=O)C(C)C;FJJZEVFYOSPWSH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293671;MM293671;C#CCC(=O)N(C)CC#N;XFWHKUYJRNFBRE-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293672;MM293672;CC(C)C(=O)C=CC=CF;NGYSHZYEFAKLNO-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293673;MM293673;C#CCC(=N)N(C)NC=N;QISKGBXBTAVWQC-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293674;MM293674;CC=CC=CC(=O)C(C)F;YRVGCKWPGIVOAP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293675;MM293675;CNC1=NCC(CF)=NO1;VHXZRRGUPJQXOP-UHFFFAOYSA-N;145.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293676;MM293676;CC=CC=CC(=O)C(F)F;PQCXKOXFNODTBN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293677;MM293677;C#CCC(=O)N(C)NC=O;BWFMLRKFEPPIJS-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293678;MM293678;C=C(C=CC=NN)C(C)C;PXRAVJRNVDCNBW-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293679;MM293679;C#CCC(=N)N(C)OC=O;RZUGDRUOOFEEDN-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293680;MM293680;C=C(C=CC=NO)C(C)N;DISJFZGEBAYBTF-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293681;MM293681;C#CCC(C)C(=O)CCC;XHDXYZNBVOKHMN-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293682;MM293682;C=C(CC)C(C)NC(C)=O;CTQUDWUYGPCMTJ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293683;MM293683;C#CCC(C)C(=O)CCO;SKGVABOZXOQRNV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293684;MM293684;CC(C)C(=O)C=CC=NO;XRKLQAXKFLDWHG-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293685;MM293685;C#CCC(O)C(=C)CCO;IEQVBGWUIPMBET-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293686;MM293686;C=C(C=NN=CC)C(C)C;TURDBDXKPIHYDO-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293687;MM293687;C#CCC(F)C(=C)CCF;VWAOZGZZZIIMBV-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293688;MM293688;C=C(C=NN=CC)C(C)N;PJMDYOFVQTXXGB-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293689;MM293689;C#CCC(C)C(=C)CNC;HZMWJEIHIPTHAD-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293690;MM293690;C=C(C=NN=CC)C(C)O;IAPWMIUTDQSEOR-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293691;MM293691;C#CCC(C)C(=O)CNC;RVAIHHVHKNJHOU-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293692;MM293692;C=C(C=NN=CC)C(C)F;AUKGGXQBBWEVJF-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293693;MM293693;C#CCC(F)C(=O)COC;XVMNRURRMAZTIS-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293694;MM293694;CC=NN=CC(=O)C(C)O;RUIIHSKWRNJIOB-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293695;MM293695;C#CCC(C)C(=O)NCC;QGLJTGZNDAWHSZ-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293696;MM293696;CC=CC=CC(=N)N(C)N;KLPGUHAGOZLGIX-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293697;MM293697;C#CCC(N)C(=N)NCC;MRNUSCIJQYVXAO-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293698;MM293698;CC=NN=CC(=N)N(C)C;ZJCKCMWZHPXIET-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293699;MM293699;C#CCC(O)C(=N)NNC;QUJDSXRKJKHGER-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293700;MM293700;CC=NN=CC(=O)N(C)C;KVCZDLGQOMUDMA-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293701;MM293701;NC(=O)C=CC=O;FNEUJUJQDXBJQC-UHFFFAOYSA-N;99.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293702;MM293702;C=C(C)C(=C)C=CC=CC;OFOARSBBNWROGM-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293703;MM293703;C#CCC(N)C(=N)NOC;FEWHCLAESFUAIZ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293704;MM293704;C=C(C)C(=C)C=CC=CF;NWBNGBOKLROLBU-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293705;MM293705;C#CCC(C)C(=C)OCC;LGAADLRHMIWGGO-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293706;MM293706;C=C(C=CC=CC)C(C)=O;RBFUNFACEMHNAX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293707;MM293707;C#CCC(O)C(=C)OCC;LMGGQHKEKSEDIZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293708;MM293708;C=C(C=CC=CF)C(C)=O;PKIMMVNKAFLCEZ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293709;MM293709;C#CCC(O)C(=O)OCC;QHSXWCWVPSBMHG-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293710;MM293710;C=C(C=CC=CC)C(=N)N;KYLNYNQBIMWATO-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293711;MM293711;C#CCC(F)C(=O)OCC;YPUYEMBGSUSQOV-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293712;MM293712;C=C(C=CC=CC)C(=O)O;UCRKSZXPTLZQLE-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293713;MM293713;C#CCN(C)C(=O)CCF;LTFVAUKGDOMALX-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293714;MM293714;C=C(F)C(=C)C=CC=CC;HKNCIAOECFJNAT-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293715;MM293715;C#CCN(N)C(=N)CCO;CXGNDORMZYWBLQ-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293716;MM293716;C=C(C)C(=O)C=CC=CC;KIXIJHOPSWCBFT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293717;MM293717;C#CCN(C)C(=N)CNC;QPHIIHMRASKSTB-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293718;MM293718;C=C(C)C(=O)C=CC=CF;XRTADPFAWLYQJP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293719;MM293719;C#CCN(C)C(=O)CNC;FSKLIEXUGOSGBS-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293720;MM293720;CC=CC=CC(=O)C(C)=O;SBBVKVVGOPAODC-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293721;MM293721;C#CCN(N)C(=N)NCC;BXWTWFMTFIMXGH-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293722;MM293722;C#CC(C(=O)O)C(O)C=C;WTKURCFPCFOAMH-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293723;MM293723;O=CCC(F)CN1CC1;AVFMBVWVAQPPNI-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293724;MM293724;C=C(F)C(=O)C=CC=CC;BXXYVXMSZQIDBL-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293725;MM293725;C#CCN(C)C(=N)NNC;UKIFWWQMKIYACB-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293726;MM293726;C=C(C)C(=C)C=CC=NN;DYQVSMYEYXVMTG-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293727;MM293727;N#CC1=NNC(=N)C1=O;GXMHRYZSOLCFCJ-UHFFFAOYSA-N;122.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293728;MM293728;C=C(C=CC=NO)C(C)=O;OVLLCBYKTAPIPV-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293729;MM293729;C#CCN(N)C(=N)NNC;DANIUTHZYMBCDO-UHFFFAOYSA-N;141.18;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293730;MM293730;C=C(C=CC=NN)C(=N)N;AFENYGRBMAKKQW-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293731;MM293731;CC=NNC(C=O)CF;LUPFVWUQJWYZGQ-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293732;MM293732;C=C(C)C(=C)C=NN=CC;RGBPQMGIJFCCCR-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293733;MM293733;C#CCN(O)C(=N)NNC;JXYZZHIHUYFRQD-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293734;MM293734;CC=C(C)C(C)NC(C)=O;VUGGKOTTYAPBLS-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293735;MM293735;C#CCN(N)C(=N)NOC;USLPXQQCLVJTLJ-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293736;MM293736;C=C(C=NN=CC)C(=N)N;CRDUAOUDDMZAQU-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293737;MM293737;C#CCN(N)C(=O)NOC;ISFYGLKKJIYXRT-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293738;MM293738;CCC1(F)CC1CC(N)=O;MAKAPLXINBWQQO-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293739;MM293739;C#CCC(C)C(=C)CC=C;ATZFMAYSFVRWCO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293740;MM293740;C=C(C)C(=O)C=NN=CC;LAZRDWNNIBGFPZ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293741;MM293741;C#CCC(C)C(=C)CC=O;SGUSQRKRJPYQHO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293742;MM293742;CC#CC=CC(C)C(C)C;JZLPFZAXAMVDBE-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293743;MM293743;C#CCC(C)C(=C)CC#N;VUHUDLJPECVCAB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293744;MM293744;CC=CC(CC)NC(C)=O;SCBIZYDTKRAKKA-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293745;MM293745;C#CCC(C)C(=O)CC=C;PMPNYWDTFQSQQO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293746;MM293746;CC#CC=CC(C)C(C)F;ASNLUHHWOHTCCR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293747;MM293747;C#CCC(C)C(=O)CC#N;AHJVVEGZBCGFOA-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293748;MM293748;CCC1(C)CN(C(N)=O)C1;WGVSBLXJMHDRFI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293749;MM293749;C#CCC(F)C(=O)CC#N;CMXMWZIBSJPQKF-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293750;MM293750;CC#CC=CC(F)C(C)O;IYFUJUSDQBDHHQ-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293751;MM293751;C#CCC(C)C(=C)NC=O;VWZGAYQZMIUHJU-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293752;MM293752;CC#CC=CC(C)N(C)C;SCMKNUBOVCODMG-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293753;MM293753;C#CCC(C)C(=N)NC=C;NDOMCLBRQHNTHC-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293754;MM293754;CC#CC=NN(C)C(C)C;AIFASAVGCNINEU-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293755;MM293755;C#CCC(N)C(=C)NC=N;NZICZINFCNMBKH-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293756;MM293756;C=C(C)C(C)C=CC#CC;PKCMFPUQMLSMRV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293757;MM293757;C#CCC(N)C(=C)NC=O;FRAFFINSTAVXKJ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293758;MM293758;CC#CC=CC(C)C(C)=O;JGKAAKZROVZQLR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293759;MM293759;C#CCC(N)C(=N)NC=N;PLKFZYDPWXNRAK-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293760;MM293760;CC#CC=CC(C)C(N)=O;HQOGBSNXICEOMW-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293761;MM293761;C#CCC(O)C(=N)NC=C;UCKQAUNDLJWRFL-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293762;MM293762;C=C(C)C(N)C=CC#CC;WHIJELWEKRJPKB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293763;MM293763;C#CCC(O)C(=N)NC=N;BWJUSQPBDJBGRH-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293764;MM293764;CC#CC=CC(O)C(=N)N;JDXWTHYKLIVLRV-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293765;MM293765;C#CCC(O)C(=N)NC=O;ALDWYDSWUYUKAU-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293766;MM293766;CC#CC=CN(C)C(C)=N;AVJWDIVRXJTLIJ-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293767;MM293767;COC=NN(C)CC(N)=O;XKVNYAMFARVWNV-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293768;MM293768;CC#CC=CN(C)C(C)=O;SDVROLHIIIMENY-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293769;MM293769;C#CCC(O)C(=O)NC=O;BPIWTRLNXFGOKX-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293770;MM293770;CC#CC=CN(C)C(N)=O;KEYAMBWSXFGRFZ-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293771;MM293771;C#CCC(O)C(=O)NN=C;LAWYTUIKUHYCCH-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293772;MM293772;CC#CC=CN(N)C(C)=N;HFTHVJFAKFRLHP-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293773;MM293773;C#CCC(C)C(=C)OC=C;UWUJYZYFTNNICS-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293774;MM293774;CC#CC=CN(N)C(=N)N;HFSMVJAJFJQXJE-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293775;MM293775;C#CCC(O)C(=C)OC=O;HBKRKMOGBWVCBN-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293776;MM293776;CC#CC=CN(O)C(N)=O;WJLFATABFQILTR-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293777;MM293777;C#CCC(O)C(=O)OC=C;RBHNFPPUBXUBEU-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293778;MM293778;CC#CC=NN(C)C(=N)N;OHPCOZXKNQTDOV-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293779;MM293779;C#CCN(C)C(=O)CC#N;RHEFZHIHKOYHOH-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293780;MM293780;C=C(C=CC#CC)C(C)C;VKROLCLSKVKOGB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293781;MM293781;CC(=CC(N)=O)OCCF;AYKUBTIQTMMQKO-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293782;MM293782;C=C(C=CC#CC)C(C)N;NIDNLBCEMNGZBF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293783;MM293783;C#CCN(C)C(=N)NC=N;AACOEBZEWTUMGY-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293784;MM293784;C=C(C=CC#CC)C(C)F;WDYJSYPSUQTVDR-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293785;MM293785;C#CCN(C)C(=N)NC=O;YIKQAPVVCOQXKB-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293786;MM293786;CC#CC=CC(=O)C(C)C;DCFDTPVPXCVRRH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293787;MM293787;CON=C(N)CC(=O)C=O;VZUIDYMMIIRDDO-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293788;MM293788;CC#CCCC(C)NC=O;JQQISPDNRMLADR-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293789;MM293789;C#CCN(C)C(=O)NC=O;ADWDEFGZFKPNJM-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293790;MM293790;CC#CC=CC(=O)C(C)=O;LWAIKEZUCFEFMZ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293791;MM293791;C#CCN(N)C(=N)NC=N;WCIYADMZYYAYNY-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293792;MM293792;CCCC#CC(C)C(C)C;IFROMFLWPNONHO-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293793;MM293793;CC(C#N)=NN(C)CC=O;ITKZSFCPXBIWBU-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293794;MM293794;CC(C)C(C)C#CCCN;ITOWYBOTKBENRD-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293795;MM293795;COC(=CC(N)=O)CCF;XIOSNWXNHAPFSD-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293796;MM293796;CCCC#CC(C)C(C)N;WDJXUJYVDIGYBW-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293797;MM293797;C#CCN(O)C(=N)NC=N;KGUOSCXFJRWZMJ-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293798;MM293798;CC(N)C(C)C#CCCF;FWBOSOOJQHYBBQ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293799;MM293799;C#CCN(C)C(=O)NN=C;KJXBQAGNOUDFPJ-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293800;MM293800;CC(CCC=CF)C(N)=O;QUSWJAVSKHVWJR-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293801;MM293801;C#CCN(N)C(=N)OC=O;PANWSRBTPDNVOZ-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293802;MM293802;CCCC#CC(C)C(C)F;MULJRBWTIPSDJK-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293803;MM293803;C#CCC(=C)C(C)CC#C;IYQOZFGAGHXAGY-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293804;MM293804;CC(F)C(C)C#CCCF;JGWGXPHGTPVFPY-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293805;MM293805;C#CCC(=O)C(C)CC#C;XSVIGYMSSZZZQK-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293806;MM293806;CCCC#CC(N)C(C)C;RURBNTSTSRJJPA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293807;MM293807;C#CCC(=N)N(C)CC#C;ZORXIJAGGVTMBS-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293808;MM293808;CC(C)C(N)C#CCCF;GSZFOZNESABFGX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293809;MM293809;C#CCC(=O)N(C)CC#C;HMXSRQOBTKUDEP-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293810;MM293810;CCCC#CC(N)C(C)N;AAXGFWKAYQAEGG-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293811;MM293811;C=C(CCC)C(=C)CCC;SALPZWUZFRNPQX-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293812;MM293812;CC(N)C(N)C#CCCN;NHKRFLIXIOSZCQ-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293813;MM293813;C=C(CCN)C(=C)CCN;KIYPTTOBIKPVQZ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293814;MM293814;CCCC#CC(N)C(C)O;GEBIIMLQLZMBMG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293815;MM293815;C=C(CCN)C(=C)CCF;AQSCETGHWLWJCF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293816;MM293816;CCCC#CC(O)C(C)C;IKNQMDNUSZIHMA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293817;MM293817;C=C(CCF)C(=C)CCF;YLEGQAFTCZAUHH-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293818;MM293818;CC(C)C(O)C#CCCF;XRHAFRVAUXJQOF-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293819;MM293819;C=C(CCC)C(=O)CCF;OYAFHPFYZVROTI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293820;MM293820;CCCC#CC(O)C(C)N;PITKNRQYJZTUGF-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293821;MM293821;C=C(CCO)C(=O)CCF;KUZGUPSZAOBJKF-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293822;MM293822;CC(N)C(O)C#CCCN;CMXIACHGHJQZDW-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293823;MM293823;C=C(CCF)C(=O)CCC;QHTRBWBVMZFRLR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293824;MM293824;CCCC#CC(O)C(C)O;ZQMDZLLNVBSSNZ-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293825;MM293825;C=C(CCF)C(=O)CCO;ZCPNDJXNGGXUHJ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293826;MM293826;CC(O)C(O)C#CCCO;DIKPXOMPORLUIA-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293827;MM293827;C=C(CCF)C(=O)CCF;SLJRJWGPHWVGDE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293828;MM293828;CCCC#CC(O)C(C)F;QWYFTDKHQHXGFW-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293829;MM293829;C=C(CCC)C(=C)CNC;OZTBZNUGCISQKB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293830;MM293830;CC(F)C(O)C#CCCO;GZTODUMBJCYAIN-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293831;MM293831;C=C(CCN)C(=C)CNC;CLWFBIZTYZDTSI-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293832;MM293832;CCCC#CC(O)C(F)F;MSPFTYZTPIFZAT-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293833;MM293833;C=C(CCF)C(=C)CNC;PBCIXWJNFZLABS-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293834;MM293834;CCCC#CC(F)C(C)C;XHSFNHBZTVJEHU-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293835;MM293835;C=C(CCC)C(=O)CNC;FZGADMJCUIQSQM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293836;MM293836;CC(C)C(F)C#CCCF;VLSFTTIIPNEDBS-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293837;MM293837;C=C(CCF)C(=O)CNC;VTPYXQZRLJALKN-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293838;MM293838;CCCC#CC(F)C(C)N;JSZGLHGXIOHMQV-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293839;MM293839;C=C(CNC)C(=O)CCC;BWSUDHANNRONNS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293840;MM293840;CCCC#CC(F)C(C)O;SFBFFGWXPCLPNX-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293841;MM293841;C=C(CNC)C(=O)CCO;UQKHNSSRYMQCDP-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293842;MM293842;CCCC#CC(F)C(C)F;GKWDPWSEUSIILF-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293843;MM293843;COCC(=O)C(=O)CCO;COMGCKRLPZLCMY-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293844;MM293844;CCCC#CC(F)C(F)F;FCFDTMIEXDOHNH-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293845;MM293845;C=C(CCN)C(=N)NCC;PFGIIIZTQKJZLZ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293846;MM293846;CNCC#CC(C)C(C)C;PHXDTTOQNCCHEO-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293847;MM293847;CCOC=NNCC(N)=O;ZRFLCVOHICVNRC-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293848;MM293848;CNCC#CC(N)C(C)O;DWTCYZLHYRTCPC-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293849;MM293849;CON=CCC(C)NC=O;BOGHCRAZECBIPI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293850;MM293850;CNCC#CC(F)C(C)C;ZSEYZZWNXCQYFS-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293851;MM293851;CCNC(=O)C(=O)CCO;QFQZAPWIRRBOCZ-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293852;MM293852;CC=CCNC(=O)C(C)C;PEYQRFBZELAIFJ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293853;MM293853;C=C(CCN)C(=O)NNC;NQBXYLHDTFOFGD-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293854;MM293854;COCC#CC(N)C(C)N;XYYCVZSOHOOXFS-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293855;MM293855;C=NOC(C)C#CCCO;IDPZZIFPYJLUGV-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293856;MM293856;COCC#CC(N)C(C)O;XYFOQXNLZVIWHI-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293857;MM293857;C=CC(=O)NC(C=C)C=C;GXNPKEGWYSDGSA-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293858;MM293858;COCC#CC(O)C(C)N;LRJMWEWOXCPLKS-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293859;MM293859;CCCC#CC(C)N(C)C;LLQMSMGGUJFCRZ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293860;MM293860;C=NN=CC(=O)CON=C;ZRSDQTRKRKCKKD-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293861;MM293861;COCC#CC(C)N(C)C;QKVOEDOMQXRJRK-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293862;MM293862;CCCC(=O)C(=O)NNC;ZITDADMWTANYRT-UHFFFAOYSA-N;144.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293863;MM293863;C=CCC#CC(C)C(C)C;AMPUZEAXBAGSOO-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293864;MM293864;CCN=C(N)C(=O)COC;WLBQJQDWWZCSNV-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293865;MM293865;CC(C)C(C)C#CCC=O;FAZHRTNMZAPAEJ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293866;MM293866;C=C(CCCF)C(=O)NC;CHQLWWPDRKHTLE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293867;MM293867;CC(C)C(C)C#CCC#N;JIOOAPZIFSFISR-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293868;MM293868;C=C(COC)C(=N)NOC;YRULXYZACAVJJH-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293869;MM293869;C=CCC#CC(C)C(C)N;VLLQPYYKPAUTGD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293870;MM293870;Cn1c(O)c(F)ncc1=O;LJCGWVIFMFUNCH-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293871;MM293871;C=C(C)C(NC=O)C(=C)C;UAAYPXNKVHQQCB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293872;MM293872;C=C(CCN)C(=C)OCC;BDWCSNUFZLRISN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293873;MM293873;CC(O)C(C)C#CCC#N;NRMWWMSABQQEAV-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293874;MM293874;C=C(CCC)C(=O)OCC;MXUMJFMINXROCH-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293875;MM293875;C=CCC#CC(C)C(C)F;QQGSNPGUOYNFMA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293876;MM293876;C=C(OCC)C(=O)CCC;QHEZCZGYTKPMDQ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293877;MM293877;CC(F)C(C)C#CCC#N;ZFKNRTBXALBJNC-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293878;MM293878;CCCC(=O)C(=O)OCC;YERWBBMSDMSDKT-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293879;MM293879;C=CCC#CC(C)C(F)F;KGYLJWSKCGFFHY-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293880;MM293880;CCOC(=O)C(=O)CCO;JGJOGYNGTOTCFY-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293881;MM293881;CC(C#CCC#N)C(F)F;XRCLBVOEMTVWRM-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293882;MM293882;C=C(OCC)C(=O)COC;ARCWHUFXWCRTSH-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293883;MM293883;C=CCC#CC(N)C(C)C;AMUMQLNDWVLQCN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293884;MM293884;CCOC(=O)C(=O)COC;CPLZRSBLYLOSSU-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293885;MM293885;C=CCC#CC(O)C(C)C;WXUVQZJFUPOVAL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293886;MM293886;CCNC(=N)C(=N)NCC;WTVAOEKGONIERO-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293887;MM293887;CC(C)C(O)C#CCC=O;VXCKBAPBIYHCRA-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293888;MM293888;C=CC(=O)NCCNN=C;RLBFZJSZMADILQ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293889;MM293889;CC(C)C(O)C#CCC#N;NQNSXPZWLNIRMG-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293890;MM293890;CCNC(=N)C(=N)NOC;AYOUPTABDZFXGI-UHFFFAOYSA-N;144.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293891;MM293891;CC(O)C(O)C#CCC=O;FXEHGRGBRPDCAQ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293892;MM293892;CNNC(=N)C(=N)NNC;CPEFVWDJNGYQFW-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293893;MM293893;C=CCC#CC(O)C(C)F;ZTAVTHULKGCMSQ-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293894;MM293894;C=CCNC(=O)C1(C)CC1;VHSTYSYQEUBIPG-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293895;MM293895;CC(F)C(O)C#CCC=O;TZEFHUXGYQMHJC-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293896;MM293896;CNNC(=N)C(=N)NOC;KFDLFQRFAXDSPQ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293897;MM293897;CC(F)C(O)C#CCC#N;TZXSMMCTXSLQAB-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293898;MM293898;CNN=C(N)C(=O)NOC;RXIMXQULGTVGNR-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293899;MM293899;C=CCC#CC(O)C(F)F;JSCFOSHLHPIXLZ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293900;MM293900;COC1(C)C(C)C1NC=O;YWFXXYPJHYNQJT-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293901;MM293901;C=CCC#CC(F)C(C)C;ZIVXBBAGFDRBBR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293902;MM293902;CN(C=O)OCCC(=O)O;VISBFYXBDUFYPU-UHFFFAOYSA-N;147.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293903;MM293903;CC(C)C(F)C#CCC=O;SSGNVJZPZOXYJC-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293904;MM293904;C=C(OCC)C(=O)NCC;AEPIPDGQKYUGFO-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293905;MM293905;CC(C)C(F)C#CCC#N;ZQGZOMNXVMABDC-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293906;MM293906;C=C(OCC)C(=N)NNC;GGAKUFBBCUREPI-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293907;MM293907;C=CCC#CC(F)C(C)N;XHTLCGNXQBCHLZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293908;MM293908;NC(=O)COCCC(=O)O;MLTRGTDLEGYFPE-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293909;MM293909;C=CCC#CC(F)C(C)O;SLVGSZBOZVQRNU-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293910;MM293910;C=CCC(=C)C(=C)CCC;STSHSCURJBTTKP-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293911;MM293911;C=CCC#CC(F)C(C)F;MZPQGQTXDBRMDW-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293912;MM293912;C=NN(CC=O)CCC=O;ZNEPIYPVUJHPIG-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293913;MM293913;CC(F)C(F)C#CCC=O;RSUTYYSWHUKAKA-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293914;MM293914;C=C(CC=O)C(=C)CCF;FXOBRTWUMUMBBL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293915;MM293915;CC(F)C(F)C#CCC#N;KOAUMQJNYSGKBL-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293916;MM293916;C=CCC(=O)C(=C)CCF;NYVPMGSGNITLKE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293917;MM293917;C=CCC#CC(F)C(F)F;NGJVDAUDLQJDCV-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293918;MM293918;C=C(CCF)C(=O)CC=O;WAVBRJDNIQSXGX-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293919;MM293919;N#CCC#CC(F)C(F)F;OMXNDFGHOBUNCC-UHFFFAOYSA-N;147.1;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293920;MM293920;C=C(CC#N)C(=O)CCC;JOOIBXCWSNJPDE-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293921;MM293921;C=CCC#CC(C)N(C)C;PBOPODXQUCVMRU-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293922;MM293922;C=CCC(=C)C(=O)CCF;OSHXULJJKVAPHU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293923;MM293923;CC(C#CCC#N)N(C)C;QMTOAAMUQNCTNL-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293924;MM293924;ON=c1on(O)c(F)c1O;YXADTTLNLPUZRU-UHFFFAOYSA-N;150.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293925;MM293925;C#CCC#CC(C)C(C)C;FSGATILJYUEAPD-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293926;MM293926;C=CCC(=C)C(=C)CNC;QLODZVRBZSVFHM-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293927;MM293927;C#CCC#CC(C)C(C)N;XRQGMRXCNWMIMV-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293928;MM293928;C=CCC(=O)C(=C)COC;DRTHYAMSJNHLEL-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293929;MM293929;C=C(CC#N)C(=O)COC;RFODRCUMZPDBJH-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293930;MM293930;C=C(C)C(=COC)C(N)=O;ZIWOJXKMOLUNQS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293931;MM293931;C=C(CCC)C(=C)NC=N;IYEDSATVIJBNCO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293932;MM293932;C#CCC#CC(C)C(C)F;YPLNCBRBPZKTTL-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293933;MM293933;C=C(CCO)C(=C)NC=N;GCTJMAMQGMXSAZ-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293934;MM293934;C#CCC#CC(C)C(F)F;VYOOARXAGINXEF-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293935;MM293935;C=CNC(=N)C(=C)CCN;UEXSJGDAZKRWCZ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293936;MM293936;C#CCC#CC(N)C(C)C;CIBHKENDNBYKAB-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293937;MM293937;C=C(CCN)C(=N)NC=O;HLDSYJMWGGKMMG-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293938;MM293938;C#CCC#CC(N)C(C)N;BYGOKYWMEGDNEN-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293939;MM293939;C=CNC(=N)C(=C)CCO;KQGWYQUHAAVVLA-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293940;MM293940;C#CCC#CC(O)C(C)C;YOEASXXADOEQBU-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293941;MM293941;C=C(CCF)C(=N)NC=N;PRSFQUAFJSCNFC-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293942;MM293942;C#CCC#CC(O)C(C)F;DJPLNSUAFQRHSY-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293943;MM293943;C#CC(CNC=O)COC;MXVHPYJOIBYCSI-UHFFFAOYSA-N;141.17;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293944;MM293944;C#CCC#CC(O)C(F)F;WAORPLNUUDDTRU-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293945;MM293945;C=CNC(=O)C(=C)CCO;KHYZCFXAPPYYOC-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293946;MM293946;C#CCC#CC(F)C(C)C;ZHKUKHUSKJAKPB-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293947;MM293947;C=C(CCO)C(=O)NC=O;BWFCXTCYDMLPQP-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293948;MM293948;C#CCC#CC(F)C(C)N;CFPDIWFTIYTDCI-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293949;MM293949;C=CNC(=O)C(=C)CCF;VIAMPDYJFCEIHD-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293950;MM293950;C#CCC#CC(F)C(C)O;VJMSEKNRTVKCIC-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293951;MM293951;C#CC=NN(CC)CC=O;MNEUZBJCEQJJKO-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293952;MM293952;C#CCC#CC(F)C(C)F;YNURIRLVGSDSQZ-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293953;MM293953;C=C(NC=O)C(=O)CCO;XRUYGDNFYCOQSN-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293954;MM293954;C#CCC#CC(F)C(F)F;BLMXBCLMCMQYAO-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293955;MM293955;C#CC(CNC=O)=C(C)C;FYLSBPIBGHNHGM-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293956;MM293956;C#CCC#CC(C)N(C)C;FRYQCRPVDTTWRP-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293957;MM293957;C=CNC(=O)C(=O)CCC;SEUAOMOKIKPAAT-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293958;MM293958;C=C(C)C(C)C#CCCC;VOWUASHPNYYIBI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293959;MM293959;C=CNC(=O)C(=O)CCO;NOMKYUXGPAFHFS-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293960;MM293960;CCCC#CC(C)C(C)=O;QNWRASUAXPPBBS-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293961;MM293961;C=NNC(=N)C(=C)CCN;LTGOVOOHSFQHDP-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293962;MM293962;CC(=O)C(C)C#CCCO;AJPOEDXENWGWII-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293963;MM293963;C=NNC(=O)C(=C)CCN;SSTFUAVKHDCPOG-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293964;MM293964;CC(=O)C(C)C#CCCF;LTISOVRIVFZEPW-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293965;MM293965;COC(CCNC=O)=NN;IAKFTCYMUYDMMF-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293966;MM293966;CCCC#CC(C)C(=N)N;PDLODDKPQXHIFS-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293967;MM293967;C=CN(C=N)N=CCC=O;HMKLYDCIHAVCEM-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293968;MM293968;CC(C#CCCN)C(=N)N;XOPGFGXOYXISNQ-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293969;MM293969;C=CNC(=N)C(=C)COC;KANSUYFTMMOFGQ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293970;MM293970;CC(C#CCCF)C(=N)N;JOFKBROYJOVGGJ-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293971;MM293971;C=COC(=C)C(=C)CCN;CDQYFUVLJZGDFS-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293972;MM293972;CCCC#CC(C)C(N)=O;JQGSRBBROSXPPU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293973;MM293973;C=C(CCF)C(=C)OC=O;IBEQZTYUEOELLU-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293974;MM293974;CC(C#CCCN)C(N)=O;QGASHFIILPKRNQ-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293975;MM293975;C=COC(=C)C(=O)CCO;PCKRPNMONLGLKV-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293976;MM293976;CCCC#CC(C)C(=O)O;MDOVBFAOLCBWRD-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293977;MM293977;C=COC(=O)C(=O)CCO;LTPOYRQQDUOISD-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293978;MM293978;C=C(F)C(C)C#CCCC;CZRWNOHLBYNKAF-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293979;MM293979;CC(=O)C(=O)CCN1CC1;SFNBYJQDISZYAI-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293980;MM293980;C=C(F)C(C)C#CCCN;OYAKSYFOHVOYAP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293981;MM293981;C=COC(=C)C(=O)COC;TYERXGLPHGYHLM-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293982;MM293982;C=C(F)C(C)C#CCCF;SWJMULHXKJLKDZ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293983;MM293983;C=COC(=O)C(=O)COC;ICTOITDXKOYWDI-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293984;MM293984;C=C(C)C(N)C#CCCC;NNJAPFLDJTZQLB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293985;MM293985;C=C(CC=O)C(N)=NCC;NKEARNSNBNMFSQ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293986;MM293986;C=C(C)C(N)C#CCCF;PZUOTPQXZGCNJG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293987;MM293987;C=C(CC#N)C(=N)NCC;ZWOMAGRVWAPAKA-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293988;MM293988;N=C(N)C(N)C#CCCN;ANVQPBOSDVTVGI-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293989;MM293989;CCc1onc(NC)c1N;FUXOZDUJZVIDQZ-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293990;MM293990;C=CCC(=O)C(=O)NCC;HEKSKUQZHOCZAZ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293991;MM293991;N=C(N)C(N)C#CCCO;FEPVDPCRNTZVTK-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293992;MM293992;CCc1[nH]nc(OC)c1C;UMMWHHPUOHOMQN-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293993;MM293993;NCCC#CC(N)C(N)=O;JEAJDFLQJQNRMY-UHFFFAOYSA-N;141.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293994;MM293994;NC(=O)C1CN1;LZRVAAYXGFWSDY-UHFFFAOYSA-N;86.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293995;MM293995;C=C(C)C(O)C#CCCC;OQWDJZMSJVHCEU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293996;MM293996;CNNC(=O)C(=O)CC=O;XFIHPZAFHIUAAZ-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293997;MM293997;C=C(C)C(O)C#CCCF;HONFOLYPRLTYKJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293998;MM293998;CNNC(=O)C(=O)CC#N;VSSSXVVPSHYLAK-UHFFFAOYSA-N;141.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM293999;MM293999;CCCC#CC(O)C(C)=O;HRXQRDGHULAZRP-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294000;MM294000;C=C(CC#N)C(=N)NOC;ZFNQYNSBZCECBO-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294001;MM294001;N=C(N)C(O)C#CCCN;KMSDRYMXHLUPIN-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294002;MM294002;CON=C(N)C(=O)CC#N;IJJVOUVVKYQJJI-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294003;MM294003;N=C(N)C(O)C#CCCO;QSJONABLJFGMQD-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294004;MM294004;C=C(CC=O)C(=O)NOC;MBFXAYUYYWQJLM-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294005;MM294005;CCCC#CC(O)C(N)=O;BREALIIEFMFFRH-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294006;MM294006;C=C(CC#N)C(=O)NOC;CKKNCSFBDYBNAP-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294007;MM294007;NCCC#CC(O)C(N)=O;JGZYFIPONFYBEJ-UHFFFAOYSA-N;142.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294008;MM294008;O=C(O)CC(O)C(F)CF;BPVDFSAETYDKQH-UHFFFAOYSA-N;154.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294009;MM294009;NC(=O)C(O)C#CCCO;PHGQHPDXVUKOCS-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294010;MM294010;C#CC(O)CC(=C)C(=O)O;YZBWZDJSDPHIOA-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294011;MM294011;O=C(O)CC1(O)CC1O;CMTJHGSHNPZHKR-UHFFFAOYSA-N;132.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294012;MM294012;C=C(NC=O)C(=N)NCC;RHVOZQVPNXVTKO-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294013;MM294013;C=C(F)C(O)C#CCCF;IEGVTYIFROKSOJ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294014;MM294014;CCCN(N)C(N)=O;VJXNIXAJPDCBCB-UHFFFAOYSA-N;117.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294015;MM294015;C=C(C)C(F)C#CCCC;HVPLMSIEGRZBGN-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294016;MM294016;CCNN(C)C(N)=O;SYSHWRAVXYZWCQ-UHFFFAOYSA-N;117.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294017;MM294017;C=C(C)C(F)C#CCCN;LQSANQIQXYCZHM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294018;MM294018;C=C(NC=O)C(=N)NNC;JBGSXLVPBZQATH-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294019;MM294019;C=C(C)C(F)C#CCCF;ZJZVKMHZNRXGPL-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294020;MM294020;C=CNC(=N)C(=N)NNC;GSCKNUJVJNEFOO-UHFFFAOYSA-N;141.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294021;MM294021;CCCC#CC(F)C(C)=O;QMKLZMSDAONTCH-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294022;MM294022;CC(=O)C(F)C#CCCF;WDZOXRCQTRALNP-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294023;MM294023;CNNC(=N)C(=N)NC=O;NFDHEZASCASCON-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294024;MM294024;C=CC(=O)NC1CC1;LCXIFAOALNZGDO-UHFFFAOYSA-N;111.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294025;MM294025;CCCC#CC(F)C(N)=O;YYIVWCBGTFVNDK-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294026;MM294026;CNNC(=O)C(=N)NC=O;AMYYPTXCEDFNCL-UHFFFAOYSA-N;144.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294027;MM294027;NC(=O)C(F)C#CCCO;GIAXUPGZEVTVEI-UHFFFAOYSA-N;145.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294028;MM294028;NC(=O)C(F)C#CCCF;KLTJJYYROKDCCR-UHFFFAOYSA-N;147.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294029;MM294029;CNNC(=O)C(=O)NC=O;OCRMSFHDROMSOQ-UHFFFAOYSA-N;145.12;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294030;MM294030;CCCC#CC(F)C(=O)O;ZRKRXPZRSZCMFV-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294031;MM294031;C=C(NC=N)C(=N)NOC;PVLJDGLUVOTQNP-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294032;MM294032;C=C(F)C(F)C#CCCC;BWVWRUIJVXXTHM-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294033;MM294033;C=C(NC=O)C(=N)NOC;KSQAVSFJIHKROO-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294034;MM294034;C=C(C)C(C)C#CCNC;CWFPGMFIGMJLRG-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294035;MM294035;C=CNC(=N)C(=N)NOC;GZQINFUKQJMHKV-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294036;MM294036;CNCC#CC(C)C(=N)N;CWOICKDGJGHESP-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294037;MM294037;O=CNCCC1CO1;XAQDDHGUZQBVKU-UHFFFAOYSA-N;115.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294038;MM294038;C=C(F)C(C)C#CCNC;DXAXWCLNGCJYHI-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294039;MM294039;CON=C(N)C(=O)NC=O;AINZILWQXGBXDX-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294040;MM294040;C=C(C)C(N)C#CCNC;OLFAWRWCOPMADW-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294041;MM294041;CONC(=O)C(=N)NC=O;HKUIFSSETUFEDC-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294042;MM294042;CNCC#CC(N)C(=N)N;GQFSRJZPKZOECW-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294043;MM294043;O=CC=CC(O)CC(=O)O;SKKXGJGJAHLXHI-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294044;MM294044;CNCC#CC(N)C(N)=O;YXAGFOBEKYEYKC-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294045;MM294045;O=C(O)CC(O)CO;DZAIOXUZHHTJKN-UHFFFAOYSA-N;120.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294046;MM294046;CNCC#CC(O)C(=N)N;JLEGUSYWMNYJQM-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294047;MM294047;COc1noc(O)c1O;GELFVZKOMXKNFG-UHFFFAOYSA-N;131.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294048;MM294048;CNCC#CC(O)C(N)=O;OALMBUXVECWCSK-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294049;MM294049;C=COC(=C)C(=N)NNC;VWYLWJAYGMUMTG-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294050;MM294050;C=C(F)C(O)C#CCNC;KUYDVXLBCAGLIT-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294051;MM294051;C=C(OC=O)C(=N)NNC;YCDHDPQDTHCCQM-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294052;MM294052;C=C(C)C(F)C#CCNC;UTKFVBACWVCEFG-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294053;MM294053;C=C(F)C=C(C)C(N)=O;HAYYLQIKVCCYAW-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294054;MM294054;CNCC#CC(F)C(N)=O;NRCKKNYFYWYITQ-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294055;MM294055;C=COC(=C)C(=O)NOC;CEIKHVJESPEQHW-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294056;MM294056;COCC#CC(C)C(=N)N;MHICMYCIHNZGKG-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294057;MM294057;C=C(CC#N)C(=C)OCC;JOJLNLZHQWCPMH-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294058;MM294058;COCC#CC(N)C(=N)N;ZBRNEMJDOKYBOG-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294059;MM294059;C=C(CC=O)C(=O)OCC;ROOUGNVURRASNB-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294060;MM294060;COCC#CC(O)C(=N)N;YVAVRVPUBAHXIQ-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294061;MM294061;C=CCC(=O)C(=O)OCC;YRIAERSCDLILHP-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294062;MM294062;COCC#CC(O)C(N)=O;WVXKNCLUMYSEBJ-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294063;MM294063;C=C(NC=N)C(=C)OCC;IWJVHZWUOPNQLM-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294064;MM294064;O=Cn1cc(O)c(O)n1;USOUZESENFDLBU-UHFFFAOYSA-N;128.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294065;MM294065;C=C(NC=O)C(=C)OCC;BTDCOOOYZBKOMP-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294066;MM294066;C=CCC#CC(C)C(=C)C;WUJKEIMDPNXZQW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294067;MM294067;C=CNC(=N)C(=C)OCC;GYXOKRNFAXYQGJ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294068;MM294068;C=C(C)C(C)C#CCC#N;VQLVIEBOQHNDDS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294069;MM294069;C=C(OCC)C(=N)NC=O;WWRCISKJBCZXPN-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294070;MM294070;C=CCC#CC(C)C(C)=O;AMSIXPKVIUALBV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294071;MM294071;C=CC(=O)NC1(C)CC1;DOKPONFKMUUSQG-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294072;MM294072;CC(=O)C(C)C#CCC=O;VGDPVTCFBSIAOA-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294073;MM294073;C=NNC(=O)C(=C)OCC;ZEYYZVXZTZELLV-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294074;MM294074;CC(=O)C(C)C#CCC#N;BXQFSLOZZNDKKT-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294075;MM294075;C=COC(=C)C(=C)OCC;BPALVLPJKYDWDV-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294076;MM294076;C=CCC#CC(C)C(=N)N;JIXYZEHFUKBJOI-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294077;MM294077;C=NOC(=O)C(=C)OCC;ZGPQQFKAICBXMS-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294078;MM294078;CC(C#CCC=O)C(=N)N;PVHTZTHDSLOWGR-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294079;MM294079;C#CCC(=C)C(=C)CCC;RPYLXOKQXGTVPK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294080;MM294080;C=CCC#CC(C)C(N)=O;WCPIUUCIODAZAU-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294081;MM294081;C#CCC(=O)C(=C)CCC;FPGMQTSDAIEOSN-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294082;MM294082;C=CCC#CC(C)C(=O)O;YNZQDXNLQPTIDW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294083;MM294083;C#CCC(=C)C(=O)CCF;ODRXXGJUUCPUCE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294084;MM294084;C#CCC(=O)C(=C)CNC;MSOCAEYMDSUTBO-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294085;MM294085;CC(C#CCC#N)C(=O)O;SEFXQQAIBCUIGY-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294086;MM294086;C=CCC#CC(C)C(=C)F;BDFQYAIPTDVGMS-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294087;MM294087;C#CCC(=C)C(=N)NCC;UZJNNLPNRZNGIJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294088;MM294088;C=C(F)C(C)C#CCC#N;FRQYXUGYZNJAGM-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294089;MM294089;C#CCC(=O)C(=O)NCC;RRDPBHPOZZJZMS-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294090;MM294090;C=CCC#CC(N)C(=C)C;LOBCOAPOAQXVHA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294091;MM294091;C#CCC(=C)C(=N)NNC;NMNRXLLZHZOAHZ-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294092;MM294092;C=CCC#CC(N)C(=N)N;XEPJCAKXCXDYNG-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294093;MM294093;C=C(COC)C(=O)NC;HLKHEEIKFUHLCT-UHFFFAOYSA-N;129.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294094;MM294094;C=CCC#CC(O)C(=C)C;QNXDIEPSMPGAPY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294095;MM294095;C#CCC(=O)C(=O)NNC;WIZPSUQRVTYFSG-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294096;MM294096;C=CCC#CC(O)C(C)=O;PEKKJLJBYIUZSG-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294097;MM294097;OCc1noc(O)c1O;RIKFRVVNNMJKOS-UHFFFAOYSA-N;131.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294098;MM294098;CC(=O)C(O)C#CCC=O;JYZNKOKABGTWDL-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294099;MM294099;C#CCC(=C)C(=C)OCC;RIUVMBLJDGUPOL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294100;MM294100;CC(=O)C(O)C#CCC#N;KKSVTCMGQFQTRF-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294101;MM294101;C#CCC(=C)C(=O)OCC;KOZQCKWPLUNGNH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294102;MM294102;N=C(N)C(O)C#CCC=O;ZVHAPZXXBXBNQK-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294103;MM294103;C=CCC(=C)C(=C)CC=O;MKBHRDBMWYGXJZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294104;MM294104;N#CCC#CC(O)C(=N)N;GBMBXJKGBCAQDI-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294105;MM294105;C=CCC(=C)C(=C)CC#N;JOQWKXLUKYXFDD-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294106;MM294106;NC(=O)C(O)C#CCC=O;PGJZSCFFFFQANI-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294107;MM294107;C=C(CC=O)C(=C)CC=O;DJOQBMLHQUMHOC-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294108;MM294108;N#CCC#CC(O)C(N)=O;PLDZDFWIPQGKMU-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294109;MM294109;C=C(CC#N)C(=C)CC=O;DECUDXMCZQQUNF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294110;MM294110;C=CCC#CC(O)C(=C)F;FTZBUPHWOIDGCK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294111;MM294111;C=C(CC#N)C(=C)CC#N;JUMDRVQJBUUXMB-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294112;MM294112;C=C(F)C(O)C#CCC#N;HKLCSCBMJBDCTH-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294113;MM294113;C=CCC(=C)C(=O)CC=C;APJUGXXXDQFFSK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294114;MM294114;C=CCC#CC(F)C(=C)C;PEWZZDQGILMCSI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294115;MM294115;C=CCC(=C)C(=O)CC=O;NYDIJHKIWOTXPV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294116;MM294116;C=C(C)C(F)C#CCC=O;YGQBWVBHWSHLAJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294117;MM294117;C=CCC(=C)C(=O)CC#N;WRSDFRHISUJRHX-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294118;MM294118;C=C(C)C(F)C#CCC#N;YQPOBPZFJQDKCJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294119;MM294119;C=CCC(=O)C(=C)CC=O;LVDPGORJKDKDPG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294120;MM294120;C=CCC#CC(F)C(C)=O;XJDVAXSTZJKQDL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294121;MM294121;C=CCC(=O)C(=C)CC#N;KUQDJLZWVVEIJY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294122;MM294122;CC(=O)C(F)C#CCC=O;GBWXYFYPMKTHDP-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294123;MM294123;C=CCC(=O)C(=O)CC=C;PEVWZOMQYCTDER-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294124;MM294124;CC(=O)C(F)C#CCC#N;OBJZUHIFYHDWSY-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294125;MM294125;C=CCC(=O)C(=O)CC#N;HYKOFIVRAIVVLS-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294126;MM294126;NC(=O)C(F)C#CCC=O;YTTVLRJUGJKLSD-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294127;MM294127;Cn1[nH]nc(N)c1=O;GFNYNNBCQHNOSD-UHFFFAOYSA-N;114.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294128;MM294128;C=CCC#CC(F)C(=O)O;MHDKKTZEBCXCSK-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294129;MM294129;C=CCC(=C)C(=C)NC=O;YKMLUQYDCMDIPB-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294130;MM294130;C=CCC#CC(F)C(=C)F;GJAIHLXXSIEJCL-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294131;MM294131;C=CCC(=C)C(=N)NC=C;FXJVQAGBQJTCGL-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294132;MM294132;C=C(F)C(F)C#CCC#N;DDICDWCOJZCFLK-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294133;MM294133;C=CCC(=O)C(=C)NC=O;DQNRWEYTQIVHRE-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294134;MM294134;C#CCC#CC(C)C(=C)C;XREOLACEGQQZCC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294135;MM294135;C=CCC(=O)C(=O)NC=C;FRXXWFYUCVSREH-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294136;MM294136;C#CCC#CC(C)C(C)=O;YURPPCWFPNMBHS-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294137;MM294137;C=CCC(=C)C(=C)OC=C;SFFRDEQZWIDLIF-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294138;MM294138;C#CCC#CC(C)C(=N)N;LZHLUEUVVVMFEH-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294139;MM294139;C=COC(=C)C(=C)CC#N;KJFQGTAZRIUODS-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294140;MM294140;C#CCC#CC(C)C(N)=O;MGTVIBUMGHKLMQ-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294141;MM294141;C=C(CC=O)C(=C)OC=O;ADEMMSAVVWHANO-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294142;MM294142;C#CCC#CC(C)C(=O)O;BLLODHMYZIDJJT-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294143;MM294143;C=CCC(=O)C(=O)OC=C;FCPNOSBPPQIPRH-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294144;MM294144;C#CCC#CC(C)C(=C)F;JSXHMGKDISFUGR-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294145;MM294145;C=C(NC=O)C(=C)NC=O;LRTKZUXVAXGIRR-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294146;MM294146;C#CCC#CC(N)C(=C)C;LKYWLEGFAILPKV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294147;MM294147;C#CCC(=C)C(=O)NC;NWMYJRCEQAPYOU-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294148;MM294148;C#CCC#CC(N)C(=N)N;CMUKRQGWVVTGCB-UHFFFAOYSA-N;135.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294149;MM294149;CCC(C)(C)CNC(N)=O;NXRNREBKFCUFFT-UHFFFAOYSA-N;144.22;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294150;MM294150;C#CCC#CC(O)C(=C)C;SWOYXCMUYPLZGR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294151;MM294151;C=CNC(=O)C(=N)NC=O;CNOKOOIEDVWPPV-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294152;MM294152;C#CCC#CC(O)C(=N)N;YLIQSIWUCMRKSQ-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294153;MM294153;C=CNC(=O)C(=O)NC=N;HFDJVIAAMPQUGX-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294154;MM294154;C#CCC#CC(O)C(N)=O;FEDNLWUMTQCFKN-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294155;MM294155;C=CNC(=O)C(=O)NC=O;AYXJLXILXWMQFL-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294156;MM294156;C#CCC#CC(O)C(=C)F;ICMNSWOHIMKNPY-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294157;MM294157;O=CNC(=O)C(=O)NC=O;QEMGCIVBPWOLAM-UHFFFAOYSA-N;144.09;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294158;MM294158;C#CCC#CC(F)C(=C)F;IDFUHJJHZLVQMU-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294159;MM294159;C=COC(=C)C(=C)NC=N;OGPYTJFXHXZLAM-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294160;MM294160;C=C(C#CCCC)C(C)C;ALKCJJZGOKBWMC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294161;MM294161;C=COC(=C)C(=C)NC=O;PPPQRFPKGHKNOK-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294162;MM294162;C=C(C#CCCN)C(C)C;KDHHSIIWXQCRML-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294163;MM294163;C=CNC(=N)C(=C)OC=C;LFTXAYPDUQDHJH-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294164;MM294164;C=C(C#CCCC)C(C)N;SVXZIPDFJUVYGG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294165;MM294165;C=CNC(=N)C(=C)OC=O;WVRZKKUIIFBISI-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294166;MM294166;C=C(C#CCCN)C(C)N;GUIXJKZJDPWCCD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294167;MM294167;C=CNC(=O)C(=C)OC=C;KGZTYQXGJCAJAE-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294168;MM294168;C=C(C#CCCF)C(C)N;ZUILKTZBXDGZGS-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294169;MM294169;CNN=CC(F)C(F)(F)F;GPJIZDMEVWTNJI-UHFFFAOYSA-N;158.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294170;MM294170;C=C(C#CCCC)C(C)O;LCVUBQNGCVQVJZ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294171;MM294171;C=COC(=C)C(=O)NN=C;VLZSXNZVJJNHDW-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294172;MM294172;C=C(C#CCCN)C(C)O;NJFBZKJTLUUJNU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294173;MM294173;C=COC(=C)C(=O)OC=C;BCOWRWYIDHVOQG-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294174;MM294174;C=C(C#CCCC)C(C)F;NVFXJNXEWBWFTQ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294175;MM294175;C=COC(=O)C(=O)OC=C;IHTWATXYZJSPOM-UHFFFAOYSA-N;142.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294176;MM294176;C=C(C#CCCN)C(C)F;SOCALKGOWKPYTJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294177;MM294177;C=COC(=C)C(=O)ON=C;UXPAHSXHXZNAMY-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294178;MM294178;C=C(C#CCCF)C(C)F;ZBEVNELPCVWCKU-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294179;MM294179;C#CCC(=C)C(=C)CC=O;SFRGMXMZPXJLMH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294180;MM294180;C=C(C#CCCC)C(F)F;GTYUAWBACWVHQQ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294181;MM294181;C#CCC(=O)C(=C)CC=C;KTNPCIQMEAXQME-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294182;MM294182;CCCC#CC(=O)C(C)C;DLDFDZROKRYOCN-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294183;MM294183;C#CCC(=C)C(=O)CC=C;BAZAHWKMNRCNPN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294184;MM294184;CCCC#CC(=O)C(C)O;YXYILYUNKXFFGA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294185;MM294185;C#CCC(=O)C(=O)CC=C;RXKGIYPFSMPPNM-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294186;MM294186;CC(O)C(=O)C#CCCO;BSFAUWKDSRVQQU-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294187;MM294187;CCCC#CC(=O)C(C)F;OVTDTQMTASDUIC-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294188;MM294188;C#CCC(=C)C(=C)NC=N;FASDLJLFGUTYIA-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294189;MM294189;CCCC#CC(=O)C(F)F;ASHPHONBIRWFQI-UHFFFAOYSA-N;146.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294190;MM294190;C#CCC(=C)C(=C)NC=O;UDIVGUKXJJAHID-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294191;MM294191;O=C(C#CCCO)C(F)F;OLFXJDHQLMVLFO-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294192;MM294192;C#CCC(=C)C(=N)NC=C;IFLVBPVSTUQVCC-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294193;MM294193;C=C(C#CCNC)C(C)C;CMNKITLVHKUSLU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294194;MM294194;C#CCC(=C)C(=O)NC=C;JYVWCNKRODOVPZ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294195;MM294195;C=C(C#CCNC)C(C)N;SZZFJLLUDLCBRA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294196;MM294196;CC(F)COC=CC(N)=O;LACQDODHBQMAFK-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294197;MM294197;C=C(C#CCNC)C(C)F;RCKGGBQGYPUDDE-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294198;MM294198;C#CCC(=C)C(=C)OC=C;ZACHAJUIJHXHFP-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294199;MM294199;CNCC#CC(=O)C(C)C;QLWIHKYVJRRCMK-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294200;MM294200;C#CCC(=C)C(=O)OC=C;CPLWOKUOVRWDFV-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294201;MM294201;C=C(C#CCOC)C(C)N;RGIULTKCDZBKTO-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294202;MM294202;CNC(=O)C1N(C)C1(C)C;SMTVSMLFCNQEHQ-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294203;MM294203;C=C(C#CCOC)C(C)O;SKPLOMUTRNNLEP-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294204;MM294204;CC(=O)C(=O)C(=N)N(C)C;JZGISXLGRCRZNW-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294205;MM294205;COCC#CC(=O)C(F)F;NSLJFPSWURDSSB-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294206;MM294206;C#CCC(=C)C(=C)CC#C;OGHJRSVEGPOZNV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294207;MM294207;CCCC#CC(=N)N(C)C;DVIWDFLSPITTJB-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294208;MM294208;CCCC(C)C(C)C=CF;ZLPRBMMAQCVHTH-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294209;MM294209;CN(C)C(=N)C#CCCN;FWOGWNPMAPMLQH-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294210;MM294210;CC=CC(N)C(C)CCN;IHHOSUVDQNUURM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294211;MM294211;CN(C)C(=N)C#CCCO;XADWWHZCIQXMAK-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294212;MM294212;CC=CC(N)C(C)CCF;UYSTXJUCIBRTKU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294213;MM294213;CCCC#CC(=N)N(C)N;YKODJPDIVMSXNW-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294214;MM294214;CC(CCF)C(N)C=CF;RZVLVEQXGQPUEN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294215;MM294215;CCCC#CC(=O)N(C)C;KYSNCWOKQCSWAF-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294216;MM294216;CC=CC(O)C(C)CCN;VZUYMWXYXDCZHO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294217;MM294217;CN(C)C(=O)C#CCCN;ZRPIJYHGIQQFCD-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294218;MM294218;CC(CCN)C(F)C=CF;CRUFOGDNJXGBTL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294219;MM294219;CCCC#CC(=O)N(C)N;YAUYXUYMDCXFHG-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294220;MM294220;CC(CCF)C(F)C=CF;XICUAPNPWHJOFQ-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294221;MM294221;C=CC1(C)CC1C(=O)NC;GFYGIKFWKGNPAW-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294222;MM294222;CCCC#CC(=O)N(C)O;AHCCEORIAJNWDW-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294223;MM294223;CC=CC(C)C(N)CCC;YRTHPKBUAUYFDV-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294224;MM294224;CN(O)C(=O)C#CCCO;GMLSEIKWELIXIO-UHFFFAOYSA-N;143.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294225;MM294225;CCCC(N)C(C)C=CF;WNSDTEVYCLIPAZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294226;MM294226;COCC#CC(=N)N(C)N;HFUGTHVQKYLJBP-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294227;MM294227;CC=CC(C)C(N)CCN;XCJWGXYFUWJYKD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294228;MM294228;C=CCC#CC(=C)C(C)C;PNXJIEJAIMWPFH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294229;MM294229;CC=CC(C)C(N)CCO;YDKXTRPDPIIVCJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294230;MM294230;C=C(C#CCC=O)C(C)C;LYWDZQABPOZWBD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294231;MM294231;CC=CC(C)C(N)CCF;CDLAZFVYOKRJGU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294232;MM294232;CC(C=CF)C(N)CCF;RJIMLJFJPRSYPO-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294233;MM294233;C=C(C#CCC#N)C(C)C;NTLYGNBZOIRQHH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294234;MM294234;CCCC(N)C(O)C=CF;ZOKSPDDOGIDYAS-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294235;MM294235;C=CCC#CC(=C)C(C)N;GLNURKRYWYBHDW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294236;MM294236;CCCC(N)C(F)C=CF;GBQULXPTWKOGSY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294237;MM294237;C=CCC#CC(=C)C(C)O;JOUUJLVIHNFHKQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294238;MM294238;CC=CC(F)C(N)CCN;WOEAJSAMGDJTGU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294239;MM294239;C=C(C#CCC=O)C(C)O;FYLIWXFINXRPLU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294240;MM294240;NCCC(N)C(F)C=CF;VNSDVUGKOPXRHI-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294241;MM294241;C=C(C#CCC#N)C(C)O;ZYAKUTDUHMOHAJ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294242;MM294242;NC(CCF)C(F)C=CF;DFFYCSQIMJNGKL-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294243;MM294243;C=CCC#CC(=C)C(C)F;KFQWTUURBRJYPK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294244;MM294244;CC(C=CC(N)=O)C(N)=O;XUYOOHIOHLCPTP-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294245;MM294245;C=C(C#CCC=O)C(C)F;VORILLYDNSFZKF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294246;MM294246;CC=CC(C)C(O)CCO;NJTNNJDGKTULBF-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294247;MM294247;C=C(C#CCC#N)C(C)F;ZDUZBTPKQKXECS-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294248;MM294248;NCCC(O)C(N)C=CF;ALFRLFJDYLAHBY-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294249;MM294249;C=CCC#CC(=C)C(F)F;ZYDDQTNTEFLAAV-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294250;MM294250;CC(C=CF)C(F)CCO;MFFAZKSZSYCROM-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294251;MM294251;C=C(C#CCC#N)C(F)F;WKIHPLOCMSNKAQ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294252;MM294252;CCCC(F)C(N)C=CF;LTNGTEOSZAJJTE-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294253;MM294253;C=CCC#CC(=O)C(C)C;ZNWDWOWYXPCNGB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294254;MM294254;NC(C=CF)C(F)CCF;LLMSQFJCCZWUSD-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294255;MM294255;C=CCC#CC(=O)C(C)O;LOAPIVJQANYUEN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294256;MM294256;OC(C=CF)C(F)CCF;UGKZOHSHBDGYEX-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294257;MM294257;C=CCC#CC(=O)C(C)F;VVSFVCHKJKQDFC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294258;MM294258;CC(CCF)C(F)C=NN;ZLUGQJFKRRKHKK-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294259;MM294259;CC(F)C(=O)C#CCC=O;HADSLUQSBATMBJ-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294260;MM294260;CCCC(N)C(C)C=NO;NAZZDVRGFMUKQU-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294261;MM294261;C=CCC#CC(=O)C(F)F;KGDLSLRRBKCESP-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294262;MM294262;CC(C=O)C=NOC(C)C;AWKJIIXWSVSAMB-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294263;MM294263;O=CCC#CC(=O)C(F)F;IINIMTUSNKEAQI-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294264;MM294264;CCCC(O)C(C)C=NO;BOUFSTRXXKLQPQ-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294265;MM294265;N#CCC#CC(=O)C(F)F;JSMRSPNHVNIVNT-UHFFFAOYSA-N;143.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294266;MM294266;CC(C=NO)C(O)CCF;ZACVSPGUUKZVGL-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294267;MM294267;C=CCC#CC(=N)N(C)C;PPPJCEOLRWNBGH-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294268;MM294268;C#CC(C)=NN(C)CC=O;OYSGBJPBQQAZBD-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294269;MM294269;C=CCC#CC(=O)N(C)C;DPIIFESSEJIXFK-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294270;MM294270;N#CC(=NO)C1NC1C=O;ZMIGLJRXXWFUHZ-UHFFFAOYSA-N;139.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294271;MM294271;C=CCC#CC(=O)N(C)N;QRMCQXKXOVSZKM-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294272;MM294272;CNCC(C)C(F)C=CF;CMOYMJQHHAXTKL-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294273;MM294273;CN(O)C(=O)C#CCC=O;JUJQJHMHRMPZGE-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294274;MM294274;CC=CC(C)C(N)CNC;GFCKSCWHONNYCQ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294275;MM294275;C#CCC#CC(=C)C(C)C;LTKZOJPOAIOTEW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294276;MM294276;CC=CC(F)C(N)CNC;ISGDXRNXZMYKOL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294277;MM294277;CNCC(N)C(F)C=CF;CAMQXFBUKWTXSV-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294278;MM294278;C#CCC#CC(=C)C(C)N;YDPXLEAXYIYGNS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294279;MM294279;CNCC(O)C(N)C=CF;FHARIEZLEGMIGO-UHFFFAOYSA-N;148.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294280;MM294280;C#CCC#CC(=C)C(C)O;XOJGWNMKFQMRLO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294281;MM294281;CNCC(F)C(C)C=CF;XRQQVNHKIISGCO-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294282;MM294282;C#CCC#CC(=C)C(C)F;UPLQCHGMPPGRCM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294283;MM294283;CNCC(F)C(F)C=CF;YZNDDICNJNAJJP-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294284;MM294284;C#CCC#CC(=C)C(F)F;SSLVWSMYXGRFHE-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294285;MM294285;CNCC(O)C(O)C=NN;IBLSQNFZABXOQY-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294286;MM294286;C#CCC#CC(=O)C(C)O;UPIOSZYSIBKVRA-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294287;MM294287;CC=CC(N)C(C)COC;VAAYMPTWODWSTH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294288;MM294288;C#CCC#CC(=O)C(F)F;UVXIEOGDWNSYPE-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294289;MM294289;CC=CC(O)C(N)COC;KJAPFKRXKWJEAQ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294290;MM294290;C#CCC#CC(=N)N(C)C;XMBMNLHFGSYQBV-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294291;MM294291;CC=CC(C)C(O)COC;YNDKEIOSYDVUSF-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294292;MM294292;C#CCC#CC(=N)N(C)N;PEIVXEUIIGVJFD-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294293;MM294293;CC=CC(N)C(O)COC;VLBTWEPJKILSGK-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294294;MM294294;C#CCC#CC(=O)N(C)C;HHJBLZAVANDWCU-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294295;MM294295;COCC(O)C(F)C=CF;QYWPZOXMSOJPJF-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294296;MM294296;C=C(C)C(=C)C#CCCC;SWXHPLCZROSSEQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294297;MM294297;C=C(C)C(=O)NC1(C)CC1;VXDSVGNKKQYWRN-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294298;MM294298;C=C(C)C(=C)C#CCCN;CVNZTFVZEBCXNV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294299;MM294299;CCCc1cc(F)c(N)[nH]1;YZRYQEFBGXPKGU-UHFFFAOYSA-N;142.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294300;MM294300;C=C(C#CCCC)C(C)=O;QIQIAUCQYSEXSH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294301;MM294301;CC=CC(N)C(C)NCC;KQXOUKWJWAOCRM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294302;MM294302;C=C(C#CCCF)C(C)=O;UNFQHLZFJJWYOD-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294303;MM294303;CCNC(C)C(C)C=NN;PPDKPUJJADXFOW-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294304;MM294304;C=C(C#CCCC)C(=N)N;CSXMWILRXMTXGO-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294305;MM294305;CCNC(C)C(C)C=NO;KFROBLDMYCYBMX-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294306;MM294306;C=CC(=CC)CNC(C)=O;PPFQXKMSGFAOBE-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294307;MM294307;CC=CC(C)C(C)OCC;GVCXFARWPCZHQA-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294308;MM294308;C=C(C#CCCC)C(=O)O;FQJJHBCWLOJGAK-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294309;MM294309;CN=CN(C)C(C)CCN;YSLPHTSEKWYQPE-UHFFFAOYSA-N;143.23;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294310;MM294310;C=C(F)C(=C)C#CCCC;ISKLXHHJRKFXQL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294311;MM294311;CN=CN(C)C(C)CCF;FDMITHMFDDPZOU-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294312;MM294312;C=C(F)C(=C)C#CCCN;GXZKXMOETGFEEL-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294313;MM294313;N#CC1(CC(=O)CF)CN1;OGLQUVMCUXYBAF-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294314;MM294314;C=C(C)C(=O)C#CCCF;FGIGYPHXGLPOAY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294315;MM294315;CN=CN(N)C(C)CCF;ZZDYMJPSSDBUNW-UHFFFAOYSA-N;147.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294316;MM294316;CCCC#CC(=O)C(C)=O;YGYOYXAFUWSQQR-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294317;MM294317;CC=CC(C)N(C)CCC;ZMUKBXRLNUBXLL-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C4";;;;;;;3.53;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294318;MM294318;CCCC#CC(=O)C(=N)N;PCVNXONAYJOFGR-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294319;MM294319;CC=CC(C)N(C)CCN;YEWPBVRKIYBSRJ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294320;MM294320;CCCC#CC(=O)C(N)=O;WUYIVJNZOBSOHS-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294321;MM294321;C=COCC(=C)C(=O)NC;LDEYFNQRFUNLLL-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294322;MM294322;NC(=O)C(=O)C#CCCO;RVZWOFMHLFFPMB-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294323;MM294323;CCCN(C)N(C)C=NC;DFKMSENTFAPMIF-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294324;MM294324;NC(=O)C(=O)C#CCCF;MJJHCKKPEFELGV-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294325;MM294325;C=CCC(C)C(N)C=CC;YFZWBGSTFKDMRX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294326;MM294326;CCCC#CC(=O)C(=O)O;HJRZFOLCXBFITE-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294327;MM294327;C=CCC(C)C(N)C=CF;SWFIKHWGBHADEJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294328;MM294328;O=C(O)C(=CCO)CO;JFUHCIGGZNIBEE-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294329;MM294329;CC=CC(F)C(C)CC=O;BCKNIKDWLXKMOA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294330;MM294330;C=C(F)C(=O)C#CCCC;CQKBXYDKIHUGBW-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294331;MM294331;CC(CC=O)C(F)C=CF;WGYOEWGWGTWEFI-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294332;MM294332;C=C(C)C(=C)C#CCNC;MJLVLRCOVMPDIU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294333;MM294333;C=CCC(N)C(C)C=CC;BMEIWZJRHLOKJS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294334;MM294334;C=C(F)C(=C)C#CCNC;FTRGXPUCXXBXFJ-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294335;MM294335;C=CCC(N)C(C)C=CF;IHHTUPKUYBHUIZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294336;MM294336;C=C(C)C(=C)C#CCOC;OHTUBDKPUZGVDO-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294337;MM294337;CC=CC(O)C(O)CC=O;NLKKSNQPOHHNQU-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294338;MM294338;Cc1c(O)noc1C#N;NTROBDBBDCNWAJ-UHFFFAOYSA-N;124.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294339;MM294339;CC=CC(O)C(O)CC#N;KZSIAQAAKCQQNH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294340;MM294340;COCC#CC(=O)C(=N)N;BEBZFAXZTXYLCG-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294341;MM294341;N#CCC(O)C(F)C=CF;JMLVDZKAZCSMEE-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294342;MM294342;C=C(F)C(=O)C#CCOC;VLBRSPZPGPEKSM-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294343;MM294343;CC(C=NO)C(C)CC#N;WWLMQRKIIDQCSR-UHFFFAOYSA-N;140.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294344;MM294344;C=CCC#CC(=C)C(=C)C;OKWHQOUXDXJQID-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294345;MM294345;C=CCC(N)C(N)C=NO;KTVCFHXHARWNLL-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294346;MM294346;C=C(C)C(=C)C#CCC=O;WCXILAAMKHVNSN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294347;MM294347;CC(C=NO)C(O)CC=O;GYECMNWQDMUNRH-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294348;MM294348;C=C(C)C(=C)C#CCC#N;TVZVHVGATOXDOK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294349;MM294349;CC(C=NO)C(O)CC#N;MEGUHRKXYQLILK-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294350;MM294350;C=CCC#CC(=C)C(C)=O;VGCZVEOOIZHPHW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294351;MM294351;CC=CC(C)C(C)NC=N;WUZQLVTXKNLTHB-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294352;MM294352;C=C(C#CCC=O)C(C)=O;HBWPWMLBYBVENI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294353;MM294353;CCCON=CC(C)C=O;KQWDXWLMJBRNIA-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294354;MM294354;C=C(C#CCC#N)C(C)=O;HDJXBAOHZFEXQL-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294355;MM294355;CC(NC=N)C(O)C=CF;FMLQSHLJXKNGAM-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294356;MM294356;C=CCC#CC(=C)C(=N)N;LKUZWIFYZMGIPG-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294357;MM294357;CC(NC=N)C(F)C=CF;GALNJLPVMGCXIG-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294358;MM294358;C=C(C#CCC#N)C(=N)N;VTCFDWVTFDCLJN-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294359;MM294359;CC(C=NN)C(C)NC=N;UZRDBRHCAJRKCG-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294360;MM294360;NC(=O)CCC1(C=O)CC1;AOHQPZHQPHKXCX-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294361;MM294361;CC(C=NO)C(C)NC=N;ZCIJQARUQAAOLN-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294362;MM294362;C=C(C#CCC=O)C(N)=O;ZVCAGNRVVYVCHZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294363;MM294363;CC(C=NO)C(C)NC=O;YHORWSUPICLSNS-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294364;MM294364;C=CCC#CC(=C)C(=O)O;GKUIGCKVNKTGDA-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294365;MM294365;C=NNC(C)C(C)C=CC;BHYKKTCEVMMFSB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294366;MM294366;C=C(C#CCC#N)C(=O)O;CGNNCQOBUBTERO-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294367;MM294367;C=COC(C)C(C)C=CC;PLQMHQHKMGRTOO-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294368;MM294368;C=CCC#CC(=C)C(=C)F;MMYLPUHFFKSXFZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294369;MM294369;CC=CC(C)C(C)OC=O;NQKSVQTUHHTDGS-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294370;MM294370;C=C(F)C(=C)C#CCC#N;HFGOQLLTTUTDII-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294371;MM294371;CC(OC=O)C(F)C=CF;LFIYCPWANQOEAD-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294372;MM294372;C=CCC#CC(=O)C(=C)C;SLYVIPKCJXEGKA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294373;MM294373;C=NOC(C)C(C)C=CC;BISIVKJDNPDFJG-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294374;MM294374;C=NOC(C)C(N)C=CC;NHFSIIZFSASKHK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294375;MM294375;C=C(C)C(=O)C#CCC=O;WVRACPAOIWQCRZ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294376;MM294376;C=CCC(C)N(C)C=NC;SEKBYARSUBLSIT-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294377;MM294377;C=CCC#CC(=O)C(C)=O;QCAIPYRZSVGUAK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294378;MM294378;CN=CN(C)C(C)CC=O;JLPVDOVVGGNYNX-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294379;MM294379;CC(=O)C(=O)C#CCC=O;AGZMBUVZYBTSCX-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294380;MM294380;C=CCN(C)C(C)C=CC;ZQLGPBYRYPGCBN-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294381;MM294381;CC(=O)C(=O)C#CCC#N;UAJDSEGOJBZSAH-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294382;MM294382;CC=CC(C)N(C)CC#N;KLJXRVZVPGYIMJ-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294383;MM294383;NC(=O)C(=O)C#CCC=O;JMWICJPTCRRRNC-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294384;MM294384;CC(C=CF)N(C)NC=O;IEAVGQMXXRTILT-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294385;MM294385;C=CCC#CC(=O)C(=O)O;WAIFTCDCAYUVHI-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294386;MM294386;CN(C=NO)N(C)CC#N;FOERFPLLIARRLO-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294387;MM294387;C=CCC#CC(=O)C(=C)F;FIPURMSOUKYWGC-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294388;MM294388;C=C(F)C(=O)C#CCC=O;XADGDIGNBGNWAO-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294389;MM294389;C#CCC(C)C(C)C=CC;URWJLAJQRFMXOQ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294390;MM294390;C=C(F)C(=O)C#CCC#N;RPWJOIXQBWTKSX-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294391;MM294391;C#CCC(C)C(N)C=CC;OREYNWCOGQIENJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294392;MM294392;C#CCC#CC(=C)C(=C)C;ROEXURROFFWFAQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294393;MM294393;C#CCC(C)C(N)C=CF;LHPBECCNEHHOQL-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294394;MM294394;C#CCC#CC(=C)C(C)=O;XRKCDPIACDUSCP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294395;MM294395;C=NN(C)C(CF)CC=O;PNPLHZAWUMDIBL-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294396;MM294396;C#CCC#CC(=C)C(=N)N;ZFNQDQUEBFNKEI-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294397;MM294397;C=CC(C(N)=O)=C(N)C=O;QDFBSXRZROKQSY-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294398;MM294398;C#CCC#CC(=C)C(N)=O;XLWWRLNRJKKCRT-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294399;MM294399;C#CCC(O)C(O)C=CC;SLSVGXOCLWGHMO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294400;MM294400;C#CCC#CC(=C)C(=O)O;QSXIJNQVLIRKOX-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294401;MM294401;C#CCC(F)C(O)C=CF;OXXDZUXHWVYLQQ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294402;MM294402;C#CCC#CC(=C)C(=C)F;CDATYZNDHDTQTH-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294403;MM294403;C#CCC(C)C(C)C=NO;XPVVBINNWJHWGI-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294404;MM294404;C#CCC#CC(=O)C(=C)C;OCSJZKYTVXSBRF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294405;MM294405;C#CC=NNC(C#C)C#N;OTBTYHVJCMZPRE-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294406;MM294406;C#CCC#CC(=O)C(=O)O;UGGDBZAAAWFNGV-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294407;MM294407;C#CCC(C)N(C)C=NC;MBXRXLYWYIAWBA-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294408;MM294408;C#CCC#CC(=O)C(=C)F;VLIKTLMICRPFIH-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294409;MM294409;C#CC1(CC)CC1NC=O;DIOSGBKWBSXLOT-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294410;MM294410;CC=CC#CC(C)C(C)C;OQXOLGXYCMXEIQ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294411;MM294411;C#CCC(C)N(O)C=NO;AOYDZOMDWUYNGS-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294412;MM294412;CC=CC#CC(C)C(C)N;XMDCASUIZZGIFE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294413;MM294413;C#CCC(C)N(C)N=CC;BXNKTKUTUJBRKN-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294414;MM294414;C#CC1(CCC(N)=O)CN1;YCKKMFQFFOMILK-UHFFFAOYSA-N;138.17;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294415;MM294415;C=C(C=CC)C(C)CCN;PUWAICGMYITCEG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294416;MM294416;CC=CC#CC(C)C(C)F;DNKBDYCWGQVHSU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294417;MM294417;C=C(C=CC)C(C)CCF;LQJZDDKUGDYCDL-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294418;MM294418;CC=CC#CC(C)C(F)F;KFQJLHXYZVNAJB-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294419;MM294419;C=C(C=CF)C(C)CCF;AIRHGINSQCSASL-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294420;MM294420;CC=CC#CC(N)C(C)C;BFNOFISCPZZHLK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294421;MM294421;CCCC(C)C(=O)C=CN;ZBVKKQDDMOABLZ-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294422;MM294422;CC(C)C(N)C#CC=CF;YIXKSLFKVXJCDM-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294423;MM294423;CCCC(C)C(=O)C=CF;FORLGHYNRDTRNQ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294424;MM294424;CC=CC#CC(N)C(C)N;FGDHIZXPBFMAQB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294425;MM294425;CC(CCF)C(=O)C=CF;JPFCGOFWSMNKFJ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294426;MM294426;CC=CC#CC(N)C(C)O;BXMFOFYPDTXBJR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294427;MM294427;C=C(C=CF)C(N)CCC;FJYKPJWOVXQPDE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294428;MM294428;CC=CC#CC(O)C(C)C;MVISDGYMGJHVNY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294429;MM294429;C=C(C=CC)C(N)CCO;XOEZMJASFHSYEE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294430;MM294430;CC(C)C(O)C#CC=CF;IQBPAWOFMXIKLO-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294431;MM294431;C=CCc1nc(NC)c[nH]1;SWWLSYHJWAWHFC-UHFFFAOYSA-N;137.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294432;MM294432;CC(O)C(O)C#CC=CF;YTQBSTRVHZJZII-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294433;MM294433;O=C(C=CF)C(O)CCO;IHXQQROBEWXHMS-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294434;MM294434;CC=CC#CC(O)C(C)F;KEPJWZIIFXGSAE-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294435;MM294435;C=C(C=CF)C(F)CCN;OMEPNVACPSCHQL-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294436;MM294436;CC=CC#CC(O)C(F)F;HJBGTESYGRMCSL-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294437;MM294437;C=C(C=NO)C(C)CCN;ZSDDIKVCVIZXAZ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294438;MM294438;CC=CC#CC(F)C(C)C;LPXMZAWQKAALGF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294439;MM294439;C=C(C=NO)C(O)CCC;BFJRIRACOFDGAZ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294440;MM294440;CC=CC#CC(F)C(C)N;SZHLIFWUXFGQNA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294441;MM294441;CC#Cc1ccc(NC)[nH]1;RIFRHPKCQDQBRP-UHFFFAOYSA-N;134.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294442;MM294442;CC=CC#CC(F)C(C)O;WJSGLMVDLWEQPO-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294443;MM294443;C=C(C=CF)C(C)CNC;VACVXMUHZMJSMG-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294444;MM294444;CC=CC#CC(F)C(C)F;VITOABTUNAZRNY-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294445;MM294445;CC=CC(=O)C(O)CNC;XEQKLTMIOQYJOO-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294446;MM294446;CC(C)C(C)C#CC=NN;LYYYJOCEMPXUOB-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294447;MM294447;C=C(C=CC)C(C)COC;OXTSKFHOZCUPTB-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294448;MM294448;CC(N)C(N)C#CC=NO;OABWPJMGTCOELF-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294449;MM294449;C=C(C=CC)C(O)COC;JVRBJBOIKKDSPZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294450;MM294450;CCCNC(C)C(=O)C#N;LKXKTGAURMBLNN-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294451;MM294451;CC=CC(=O)C(O)COC;GHKBJHGDEYGQJV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294452;MM294452;CC(O)C(O)C#CC=NO;AOWIJQSLRNAWLX-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294453;MM294453;COCC(O)C(=O)C=CF;LFSKQMWGAOXCAW-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294454;MM294454;C=CCNC(=O)C(C)CC;GVVFYKIGWUPNFN-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294455;MM294455;C=C(C=NO)C(N)COC;PYYKHFKDMXYKCJ-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294456;MM294456;CC(F)C(O)C#CC=NO;AYVIAEXLHJLHKI-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294457;MM294457;CCOC(C)C(=O)C=CN;ZVODKVUPDMIDHA-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294458;MM294458;C=CCC(CNC=O)OC;DVLJYYWXRFNAEJ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294459;MM294459;CN(CCO)C(=N)C=CN;LCRHCTBCTZIECD-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294460;MM294460;NN=CC#CC(F)C(F)F;XNVHSHBZQKYLIB-UHFFFAOYSA-N;150.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294461;MM294461;CCc1onc(NN)c1C;NYTMJJXIQGSNML-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294462;MM294462;ON=CC#CC(F)C(F)F;PKSIJEOZFSMCMP-UHFFFAOYSA-N;151.09;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294463;MM294463;CNc1c[nH]c(F)c1;LHRDBKNFIUTZEK-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294464;MM294464;CC=CC#CC(C)N(C)C;BRJSTFBDGUTDSN-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294465;MM294465;N=C(C=CN)N(N)CCO;VCCNAHJMUYCGFW-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294466;MM294466;C=C(C)C(C)C#CC=CC;XXKFLMUSMQVTNK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294467;MM294467;COC(CC(N)=O)=NN;VQRVYMGMCZURSV-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294468;MM294468;CC=CC#CC(C)C(C)=O;WCANYUKGJWAOCP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294469;MM294469;CN(C=O)CCNC=O;HSXTXMKSVJMQBW-UHFFFAOYSA-N;130.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294470;MM294470;CC=CC#CC(C)C(=N)N;JHHUXJZYHZXGCJ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294471;MM294471;NN=CC#CC1CC1O;GPYYUYNKJXZQDE-UHFFFAOYSA-N;124.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294472;MM294472;CC=CC#CC(C)C(N)=O;ZTFWOMUJBLRKPL-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294473;MM294473;C#CC1(CNC=O)CC1;MEFBVBQQLPNTHH-UHFFFAOYSA-N;123.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294474;MM294474;CC(C#CC=CF)C(N)=O;VCLNJAYZBPQNON-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294475;MM294475;CNC(=O)C(C)(C)CCF;PYZSBJVEEIHVIZ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294476;MM294476;CC=CC#CC(C)C(=O)O;QKYBVAUTLIIXDI-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294477;MM294477;CNC(=O)C=C(C)C(C)F;DUZNSOQXSMYXKU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294478;MM294478;C=C(F)C(C)C#CC=CC;HBNGZFYYIKLTLO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294479;MM294479;CN1CC1(C)CC(=O)CF;JKUUGFBWUVOTIG-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294480;MM294480;C=C(C)C(N)C#CC=CC;HVOYRNQRZNSTAJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294481;MM294481;CC(CN(C)C=O)NC=O;AXIHOQGJXZYXLC-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294482;MM294482;C=C(C)C(N)C#CC=CF;OKICJEQAEBGBIN-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294483;MM294483;CC=CC(=N)N(C)OCC;ZVMLEGUZEOKXKM-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294484;MM294484;N=C(N)C(N)C#CC=CF;MKEFTUZAXIWSQG-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294485;MM294485;CCON(C)C(=N)C=CN;NDQOXEOWTHYUFE-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294486;MM294486;C=C(C)C(O)C#CC=CC;ROKAVEATZMDODA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294487;MM294487;CCNC(=O)C=C(C)OC;MXLPUOQCCDHNKB-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294488;MM294488;CC=CC#CC(O)C(C)=O;WYPWMLBKULINFQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294489;MM294489;CCON(C)C(=O)C=NO;CQRKVGDBBCRCAT-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294490;MM294490;CC(=O)C(O)C#CC=CF;YXDYPCHLSVQGFK-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294491;MM294491;C=CCC(C)C(=C)C=CC;OGMVARXSEVMPFU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294492;MM294492;N=C(N)C(O)C#CC=CF;MMXAHOIUCFOOGU-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294493;MM294493;C=C(C=CC)C(C)CC=O;WFEUXBDZVKOMTH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294494;MM294494;CCC=C(C(N)=O)C(=O)O;ZDVKVDQJTGOGEU-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294495;MM294495;C=C(C=CF)C(C)CC=O;PVDBNAISVKVAOU-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294496;MM294496;Oc1cnc(CF)o1;FCDXOKNUAHNRPS-UHFFFAOYSA-N;117.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294497;MM294497;C=CCC(C)C(=O)C=CF;ZKQOTOLKQPKRSM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294498;MM294498;C=C(F)C(O)C#CC=CC;FYXSTODTEHENBC-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294499;MM294499;CC(CC=O)C(=O)C=CF;RQZPUQWVFWEALP-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294500;MM294500;C=C(C)C(F)C#CC=CC;YAYGQGMKUSXCOD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294501;MM294501;C=CCC(N)C(=C)C=CF;WYGAYAMBAOVWRO-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294502;MM294502;CC=CC#CC(F)C(C)=O;FUXYNUISPUTFNW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294503;MM294503;C=C(C=CC)C(O)CC=O;GAPQFMAGCHAYBH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294504;MM294504;CC(=O)C(F)C#CC=CF;QGJVROYUHHOQLW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294505;MM294505;C=C(C=CC)C(O)CC#N;GRTFSWOHINJSRR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294506;MM294506;CC=CC#CC(F)C(N)=O;MZESTRKVAOIPLI-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294507;MM294507;C=CCC(O)C(=O)C=CC;UIQCCFASKUWJDH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294508;MM294508;NC(=O)C(F)C#CC=CF;JNNBRZDXKYBUIA-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294509;MM294509;NC=CC(=O)C(F)CC=O;UHCITQTYBILHNN-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294510;MM294510;CC=CC#CC(F)C(=O)O;USAYIQVNUWEZMC-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294511;MM294511;C=C(C=NO)C(C)CC=O;UBUVWUQHJIRGKP-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294512;MM294512;C=C(F)C(F)C#CC=CC;PIFLARBILDDUQF-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294513;MM294513;C=CCC(N)C(=C)C=NO;MCVZDYRAWUSXKT-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294514;MM294514;C=C(C)C(C)C#CC=NN;FGNCIAZMHSPUGT-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294515;MM294515;C=C(C=CF)C(C)NC=N;JVBMZKCHHBBVFF-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294516;MM294516;CON=C(NN)NC=CF;WFDUNXLOMFPBCU-UHFFFAOYSA-N;148.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294517;MM294517;CC(NC=O)C(=O)C=CN;YTERGKRELONEJI-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294518;MM294518;CC(C#CC=NO)C(N)=O;VTJXXULGUTURLG-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294519;MM294519;NC(=O)C=C(N)N(N)C=O;CZTIDQMEVZBBMZ-UHFFFAOYSA-N;144.13;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294520;MM294520;C=C(C)C(O)C#CC=NO;YYWSUNOCEHPORL-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294522;MM294522;NC(=O)C=COCCCF;UBWBQYYPFVMNSS-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294521;MM294521;CC(=O)C(O)C#CC=NO;NYIMJIVNGKUWEC-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294523;MM294523;C=C(C=CC)C(C)OC=O;OTCIAOFIUBKOAE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294524;MM294524;NC(=O)C(O)C#CC=NO;KKJQFBZXYIPSPY-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294525;MM294525;C=COC(C)C(=O)C=CN;DARLNNRSMPTGKB-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294526;MM294526;Oc1c(F)n[nH]c1CF;OFRNSAKPAOSYNG-UHFFFAOYSA-N;134.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294527;MM294527;C=C(F)C(O)C#CC=NN;FGZRCZUNYOPEHZ-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294528;MM294528;CC=CC(=O)C(C)OC=O;PXHMRBOEXZNDNK-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294529;MM294529;C=C(F)C(O)C#CC=NO;PLGZLNPPSAJTTH-UHFFFAOYSA-N;143.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294530;MM294530;CON=C(C)C(F)C(C)=O;WWOXTGUFUOSGDP-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294531;MM294531;C=C(C)C(F)C#CC=NN;UTQVVRFTNDECQM-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294532;MM294532;CN(CC=O)C(=N)C=CN;IMMYAFDSTBOPFQ-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294533;MM294533;CCC(C(N)=O)=C(N)OC;LCJVQWGLOBKTRA-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294534;MM294534;CC(NC=O)C1(C)OC1C;IWXCREFYTOVQAN-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294535;MM294535;CCn1nnc(O)c1O;JZPJUIYQROFBEY-UHFFFAOYSA-N;129.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294536;MM294536;N=C(C=NO)N(O)CC=O;OJGMGUBWOGPJGJ-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294537;MM294537;C=C(C#CC=CC)C(C)C;FPCOTSXGHQHGID-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294538;MM294538;CN(NC=N)C(=N)C=CN;PJMPDMNJXFIRGQ-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294539;MM294539;C=C(C#CC=CC)C(C)N;CGHYAPDJBKEURP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294540;MM294540;CN(NC=O)C(=O)C=CN;USXHCMFOLSBHBV-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294541;MM294541;CN(NC=N)C(=N)C=NN;LFWQVBVCFXRJND-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294542;MM294542;C=C(C#CC=CC)C(C)O;CMXUJSSGVTZDSM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294543;MM294543;CN(NC=N)C(=N)C=NO;LQIYLHMOYSTNEI-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294544;MM294544;C=C(C#CC=CC)C(C)F;OKJVFRMVWPDVDY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294545;MM294545;CCCC(=NNC)C(N)=O;FOXDXNPUOREVLR-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294546;MM294546;C=C(C#CC=CC)C(F)F;DINVVYXEDLZFQQ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294547;MM294547;CN(NC=O)C(=O)C=NN;NCOLOPBTTVZBTK-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294548;MM294548;CC=CC#CC(=O)C(C)C;WMLWTHYNDHIJKY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294549;MM294549;CN(NC=O)C(=O)C=NO;LFAFZWMKEBVUTM-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294550;MM294550;CC=CC#CC(=O)C(C)O;PTZDIYKLBYZLBY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294551;MM294551;CC=CC(=O)N(C)OC=O;QLXPGELKKFONBV-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294552;MM294552;CC(O)C(=O)C#CC=CF;GILUBUPGJPBGIG-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294553;MM294553;CCC1(C)NC1C(=O)NC;PZSOYZMRADWIMV-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294554;MM294554;CC=CC#CC(=O)C(C)F;WCVVLZQXDRJDAX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294555;MM294555;CN(OC=O)C(=N)C=NO;ZOKVSWOHMPCZSA-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294556;MM294556;CC(F)C(=O)C#CC=CF;YOQPLTBLJQAZHW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294557;MM294557;CCC(O)C(C)C=CCO;HKZBABKNVCNELJ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294558;MM294558;CC=CC#CC(=O)C(F)F;OJJKBRXLICHEGW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294559;MM294559;C#CCC(C)C(=C)C=CC;IFCWWORWHCGKPK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294560;MM294560;C=C(C#CC=NN)C(C)C;AIPYETJGZNKVFY-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294561;MM294561;C#CCC(C)C(=C)C=CF;HLBYETPGPMQJAK-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294562;MM294562;C=C(C#CC=NO)C(C)C;QDGNMUVCZGSBJF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294563;MM294563;C#CCC(O)C(=O)C=CC;WQYWGEBBXUOZJV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294564;MM294564;C=C(C#CC=NO)C(C)O;ZPIBKBARLLOHKG-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294565;MM294565;C#CCC(N)C(=C)C=NO;OGTBKUCMKLZWHS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294566;MM294566;C=C(C#CC=NN)C(C)F;SPOIMFVOIBAZBK-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294567;MM294567;C#CCC(O)C(=C)C=NO;ZJGDMENLIXGHHP-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294568;MM294568;CC=CC#CC(=N)N(C)C;QWJOKFKPFKGZED-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294569;MM294569;C#CCN(N)C(=O)C=CC;LGGGONJIAPCISW-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294570;MM294570;CC=CC#CC(=O)N(C)C;CHBYYYJAWVQJSS-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294571;MM294571;C=CC(C)N(CC=O)N=C;OHHAEMQXAIVPTG-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294572;MM294572;CN(C)C(=O)C#CC=CF;CWTYZDJREQRODO-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294573;MM294573;CON(CC=O)C(=N)CF;QIOBLSIHQIHUDQ-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294574;MM294574;CC=CC#CC(=O)N(C)N;UUBJTCAQISQDAU-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294575;MM294575;CCC1(C(C)NC=O)CO1;OSWVRHJSUALZOC-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294576;MM294576;CN(N)C(=O)C#CC=CF;KZAOVWJLIBRLOB-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294577;MM294577;C#CC1(C(C)NC=O)CC1;ULTZXMDNPQFZHQ-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294578;MM294578;CN(N)C(=O)C#CC=NN;NUTLGQWCJIRPMX-UHFFFAOYSA-N;140.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294579;MM294579;C#CCN(N)C(=O)C=NO;XDTZKPWOZGNDKN-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294580;MM294580;CN(N)C(=O)C#CC=NO;TVPPOXNBHFKKAO-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294581;MM294581;C=C(CCC)C(C)C=CC;LAIBCTZENZJMRK-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294582;MM294582;C=C(C)C(=C)C#CC=CC;UIDMOGGQVYHZGY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294583;MM294583;C=C(CCN)C(C)C=CF;XWUBIUAPFPSTCE-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294584;MM294584;C=C(C#CC=CC)C(C)=O;ZBVIMPVLVUTOSX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294585;MM294585;C=C(CCC)C(N)C=CC;ABQNQKRNEXDSSO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294586;MM294586;C=C(C#CC=CF)C(C)=O;NLFNTMZOUIWXIV-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294587;MM294587;C=C(CCN)C(N)C=CF;JQPHTQZAVZUSBM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294588;MM294588;C=C(C#CC=CC)C(=N)N;JFOHDMCXIAAQKW-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294589;MM294589;C=C(CCF)C(N)C=CC;PKRQXSACKIQJNQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294590;MM294590;CC#CCC(=CN)C(N)=O;IZXBWIIIGVGROD-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294591;MM294591;C=C(C#CC=CC)C(=O)O;ZOFSJNHLWQNSTI-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294592;MM294592;C=C(CCN)C(O)C=CC;SRELJAUFNWQYDO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294593;MM294593;C=C(F)C(=C)C#CC=CC;JGKKPOSFEFWRIN-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294594;MM294594;C=C(CCF)C(O)C=CF;SJTZPRDFLKSQPW-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294595;MM294595;C=C(C)C(=O)C#CC=CF;YWBCXMBAMREDLU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294596;MM294596;CC=CC(C)C(=O)CCF;VJCROUWBUNRXSP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294597;MM294597;CC=CC#CC(=O)C(C)=O;VKHWJCBJKSQZRR-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294598;MM294598;C=C(CCC)C(C)C=NN;KBZNLUQYHYLMLI-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294599;MM294599;NC(=O)C(=O)C#CC=CF;RODYTWGZCHQUER-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294600;MM294600;C=C(CCN)C(C)C=NO;LVPSNMXXCZSESP-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294601;MM294601;CC=CC#CC(=O)C(=O)O;TZCZFDKWCCVLDL-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294602;MM294602;CCC1C(C(=O)NC)N1C;LFAAHHIIJKEJEC-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294603;MM294603;O=C(O)C(=O)C#CC=CF;HTBVZJGDSSDBEG-UHFFFAOYSA-N;142.09;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294604;MM294604;C=C(CNC)C(C)C=CF;KMRLGAATJDGYBL-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294605;MM294605;C=C(F)C(=O)C#CC=CC;BSRFXPHZLZFDSU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294606;MM294606;C=C(CNC)C(O)C=CF;LXTWPSSSSAZJHS-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294607;MM294607;C=C(C)C(=C)C#CC=NN;LZIOMVNNSVRSQE-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294608;MM294608;C=C(CNC)C(F)C=CF;IGBCJLJQESURAU-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294609;MM294609;C=C(C)C(=C)C#CC=NO;MIZINZUAYVBRPI-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294610;MM294610;CC=CC(C)C(=O)CNC;WCXSUARHGLCJIG-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294611;MM294611;C=C(C#CC=NO)C(N)=O;JXMWWRRWSQEZKG-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294612;MM294612;C=C(CNC)C(C)C=NN;JQOIKXSQEOLMKJ-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294613;MM294613;C=C(F)C(=C)C#CC=NN;FVFOKNWXLBQDQD-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294614;MM294614;C=C(CNC)C(C)C=NO;PLWBPIMIFBJUAE-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294615;MM294615;CC#CC#CC(C)C(C)C;OSYIZAQZPJUNEH-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294616;MM294616;C=C(CNC)C(O)C=NN;HSCRBMVQFBBLCE-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294617;MM294617;CC#CC#CC(C)C(C)N;AIAYKGFHOVKGAU-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294618;MM294618;C=C(COC)C(N)C=CC;QOONWWVZNNOVTM-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294619;MM294619;N#CC(=NNC=N)C(F)F;YQHCCOPVCNEQIZ-UHFFFAOYSA-N;146.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294620;MM294620;CC=CC(C)C(=O)COC;LDSKJFPGGBESCT-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294621;MM294621;CC#CC#CC(C)C(C)F;MQVFAFDLBNKPGM-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294622;MM294622;CC#CC#CC(C)C(F)F;YMHRXMWDVFRNGL-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294623;MM294623;COCC(=O)C(O)C=CF;OUPNMLMPXJMDEG-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294624;MM294624;CC#CC#CC(N)C(C)C;ZNELKONWMXOQLT-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294625;MM294625;CCNC(=N)C(C)C=CF;CUVOVPMMKXXQKX-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294626;MM294626;CC#CC#CC(N)C(C)N;RLZUYDFUTJMNQG-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294627;MM294627;CCCC1NC1C(=O)NC;VRKCPSMBCZDUNZ-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294628;MM294628;CCC1(C=O)NC1CC=O;LZPQCLKQAPSHDI-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294629;MM294629;CCNC(=O)C(C)C=CF;KOQREIIAYVSKHA-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294630;MM294630;CC#CC#CC(O)C(C)C;GPCQQOFWXQYRGE-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294631;MM294631;CCNC(=O)C(O)C=CF;VYCRZCHPZIXWDG-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294632;MM294632;CC#CC#CC(O)C(C)N;MFEHHIGDIKVDAI-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294633;MM294633;CC=CC(F)C(=O)NCC;DMWCZHAYJGOQAD-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294634;MM294634;CC#CC#CC(O)C(C)O;TZPASAKEYPRGGF-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294635;MM294635;CCCN1CC1C(=O)NC;XGDHURYVKDLUJK-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294636;MM294636;CC#CC#CC(O)C(C)F;KUAZNFFPZHKFJT-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294637;MM294637;NN=COCCCNC=O;AFLGJARHRMXDKG-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294638;MM294638;CC#CC#CC(O)C(F)F;MTGNQMMSAGOVDX-UHFFFAOYSA-N;144.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294639;MM294639;CC=NOCC#CCCO;NUVMWTDSTVLKSN-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294640;MM294640;CC#CC#CC(F)C(C)C;YKBHOKGRKWORQT-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294641;MM294641;NNc1ccon1;RWBMHWZSWMDMMX-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294642;MM294642;CC#CC#CC(F)C(C)N;BUYJYYFNLAVMOA-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294643;MM294643;CC=CC(F)C(=O)NNC;VLOURJZIVQEWSO-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294644;MM294644;CC#CC#CC(F)C(C)O;LQFLWQMIOPCHKK-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294645;MM294645;CNNC(=N)C(O)C=NN;MNNIZJDHTXTQKN-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294646;MM294646;CC#CC#CC(F)C(C)F;WJUWAUNJPQWQBW-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294647;MM294647;C=C(F)CC(=C)C(N)=O;USJPXQGUDQCVMF-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294648;MM294648;CC#CC#CC(F)C(F)F;DAEHBIRFFVOKEZ-UHFFFAOYSA-N;146.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294649;MM294649;CONC(=N)C(C)C=CF;ZPCBZIYVQYPRSB-UHFFFAOYSA-N;146.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294650;MM294650;C=C(C)C(C)C#CC#CC;VDVQNPSIKCWVFM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294651;MM294651;C=NOCC(CF)C(=O)O;ISMWANPDKJPTBZ-UHFFFAOYSA-N;149.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294652;MM294652;CC#CC#CC(C)C(C)=O;ZNDVIWIVWFPJPU-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294653;MM294653;CC#CC#CC(C)C(=N)N;PYWIHTVVSZEBNO-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294654;MM294654;C=C(OCC)C(N)C=CC;GZOAXSNSPYKIDR-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294655;MM294655;CC#CC#CC(C)C(N)=O;CZEVTFNDIKMQQP-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294656;MM294656;C=C(OCC)C(O)C=CC;UERIWWRIWLMTDV-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294657;MM294657;CC#CC#CC(C)C(=O)O;DOXFPFQMRDBLAP-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294658;MM294658;CCOC(=O)C(F)C=CF;UBYQVOWPMXBANY-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294659;MM294659;C=C(F)C(C)C#CC#CC;OVCMHIYTCXYWIW-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294660;MM294660;NC(=O)CC1(C=O)CN1;BBZGOVDSDYEHLI-UHFFFAOYSA-N;128.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294661;MM294661;CC#CC#CC(O)C(C)=O;SBJXJFTWJJTTNJ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294662;MM294662;NC(=O)C=CC=CCO;CGPSCTVAKDVHTD-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294663;MM294663;CC#CC#CC(O)C(=N)N;DZYYAFMJAMIVII-UHFFFAOYSA-N;136.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294664;MM294664;CC(=NO)NCC(=O)O;LPTCPHLXQRQGQA-UHFFFAOYSA-N;132.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294665;MM294665;CC#CC#CC(O)C(N)=O;HGEUWXCNWRRNAQ-UHFFFAOYSA-N;137.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294666;MM294666;CC=CN(N)C(=N)CCC;HSELIFVODQBYGH-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294667;MM294667;Cn1c(O)nccc1=O;VPLZGVOSFFCKFC-UHFFFAOYSA-N;126.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294668;MM294668;N=C(CCF)N(N)C=CF;PTLSTTASVOZCJQ-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294669;MM294669;C=C(F)C(O)C#CC#CC;LGJMYNUSFWGKMF-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294670;MM294670;CN(C=CF)C(=O)CCO;GWPVLGVGFGTRRS-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294671;MM294671;C=C(C)C(F)C#CC#CC;VUAPMLLJIHOYMU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294672;MM294672;CC=CN(C)C(=O)CCF;OTQQPRKZWQSZQX-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294673;MM294673;CC#CC#CC(F)C(C)=O;UVFGOLIZNONYBP-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294674;MM294674;CC1OC1(C)CNC=O;XXMSZJKCXMAENE-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294675;MM294675;CC#CC#CC(F)C(N)=O;MRVCJCSGRMHKFX-UHFFFAOYSA-N;139.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294676;MM294676;CC=CN(O)C(=O)CCF;BDMIYWUTESIKQK-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294677;MM294677;CC#CC#CC(F)C(=O)O;QAGPVEUTTWHWRQ-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294678;MM294678;CC(C=O)C(C)NC=O;FUCKJIHWEUDAJC-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294679;MM294679;C=C(F)C(F)C#CC#CC;LAYWLZPNYYLOJS-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294680;MM294680;C=C(CCN)N(C)C=NC;LMCVGGCSILAZGZ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294681;MM294681;C=C(C#CC#CC)C(C)C;AKRPOVXBFPABRM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294682;MM294682;C=C(CCF)N(C)C=NC;FSRLCPADAQNPBC-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294683;MM294683;C=C(C#CC#CC)C(C)N;FLDDOIDKQMPJRY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294684;MM294684;C=C(CCC)N(N)C=NC;HPXYYYBCTSXEOH-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294685;MM294685;C=C(C#CC#CC)C(C)O;KTQVSDLZHHLRFY-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294686;MM294686;CNC(=O)CN1CC1C;CALFDTZWBISCKI-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294687;MM294687;C=C(C#CC#CC)C(C)F;OPJLCKFHGGWTCP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294688;MM294688;CN=CN(C)C(=N)CCF;NJTHRJCLBJQIFO-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294689;MM294689;C=C(C#CC#CC)C(F)F;NBSCXWAMNDKXFD-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294690;MM294690;CC(CC1CO1)NC=O;JTFUVWNPOVOANL-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294691;MM294691;CC#CC#CC(=O)C(C)C;FDSWXANSLSSTBJ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294692;MM294692;CNc1noc(C)c1N;RXDXKKNJTCMHPW-UHFFFAOYSA-N;127.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294693;MM294693;CC#CC#CC(=O)C(C)O;BSEJAXMUMLBEPL-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294694;MM294694;CNCC(=O)N(N)C=NN;JAKYHSRVRSNCOT-UHFFFAOYSA-N;145.17;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294695;MM294695;CC#CC#CC(=O)C(C)F;FIDYQKBBURKKQA-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294696;MM294696;CNCC(=O)N(N)C=NO;NPOOSLBBUULSJL-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294697;MM294697;CC#CC#CC(=O)C(F)F;LXPBRBKYBUTXEH-UHFFFAOYSA-N;142.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294698;MM294698;COc1c[nH]c(N)c1F;KCVWYPGOGDHWOA-UHFFFAOYSA-N;130.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294699;MM294699;CC#CC#CC(=N)N(C)C;HJEDYYKFYBYTSB-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294700;MM294700;COC1(CNC=O)CC1;ZYUZDRMFWIFYKH-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294701;MM294701;C=CC1(C=C)CC1NC=O;WVACLEIPSKSCKL-UHFFFAOYSA-N;137.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294702;MM294702;CCC1(CNC=O)CO1;XTFJMZHBATWHLG-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294703;MM294703;CC#CC#CC(=O)N(C)C;UMLQJGPCLABTBB-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294704;MM294704;CNC(=O)C=CC(C)(C)F;CWPQNOGLDGKHDH-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294705;MM294705;CC#CC#CC(=O)N(C)O;PFIJWRBZAFRNSV-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294706;MM294706;CC(=O)NCC(C)(C)CF;OTPUUGVMMGLCDA-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294707;MM294707;C=C(C)C(=C)C#CC#CC;NLCXOQCTICDKLS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294708;MM294708;CON=CN(C)CC(N)=O;KSSLFMYNNSGYKV-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294709;MM294709;C=C(C#CC#CC)C(C)=O;LHMPBLHGDHAYDD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294710;MM294710;CC=NN(C)C(=N)CCN;WMFYEGGUCWBWBO-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294711;MM294711;C=C(C#CC#CC)C(=N)N;LEUCMIAVFSVXMH-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294712;MM294712;CC=CN(C)C(=N)NCC;OGBASPNWZLOEEU-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294713;MM294713;C=C(C#CC#CC)C(N)=O;RQQVTCPOXCDWNT-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294714;MM294714;CC=CN(N)C(=N)NCC;BVGXXZIPCSFZDT-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294715;MM294715;C=C(C#CC#CC)C(=O)O;MTYDGFNKPUOLCS-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294716;MM294716;C=C(F)C(=C)C#CC#CC;QZLWIAYABBHEPX-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294717;MM294717;CCC(C)(CC=O)NC=O;QGTBGJFJQIBXIO-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294718;MM294718;CC=CN(O)C(=O)NCC;ZXDHEBKYWBHOBZ-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294719;MM294719;C=C(C)C(=O)C#CC#CC;OCJCQYFCVFSJAZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294720;MM294720;CC#CC#CC(=O)C(C)=O;QZFHWLHDYCXCRJ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294721;MM294721;CCNC(=N)N(O)C=NN;MVLNBAMZFPMNBU-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294722;MM294722;CC#CC#CC(=O)C(=O)O;ODLRQCVMWAJFNX-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294723;MM294723;CON=C(C)NCC(N)=O;LNJFMOYGLVLAAE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294724;MM294724;C=C(F)C(=O)C#CC#CC;AINHVJLHDPCBBX-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294725;MM294725;CCNC(=O)N(O)C=NC;SDAXOPDMTZGRMZ-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294726;MM294726;CCCCC=C(C)C(C)C;JALWYNJFGYTGKB-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294727;MM294727;CC=CN(C)C(=N)NNC;LEUOVBSMZABDDM-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294729;MM294729;CC(=CCCCN)C(C)C;INTRAWPEYFHAKD-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294728;MM294728;CC(=O)C=NN(C)CC=O;UXTMCCYHOGAXIH-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294730;MM294730;C=C(F)C=NN(C)CC=O;IIYYUNZSXHZXIV-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294731;MM294731;CCCCC=C(C)C(C)N;KMHYUGDPZGEIKX-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294732;MM294732;CNNC(=N)N(N)C=NN;BJVOHOJWKDIIBI-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294733;MM294733;CC(=CCCCN)C(C)N;IJVIVVPLYAFMJA-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294734;MM294734;CNNC(=N)N(N)C=NO;GOYVGILBAYLYTK-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294735;MM294735;CC(=CCCCO)C(C)N;JPCSGXZDCWRKLC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294736;MM294736;CNNC(=N)N(O)C=NN;PIYLJCBFXPVTOJ-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294737;MM294737;CC(=CCCCF)C(C)N;NEKXTRLZRWVGLD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294738;MM294738;C=NN(CC=O)CC(F)F;WFZHIDNNBQJOGB-UHFFFAOYSA-N;150.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294739;MM294739;CCN=C1CN(CC)C=N1;UHEBHXQNCSIAFK-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294740;MM294740;C#CCC(=CC(N)=O)CF;PJXAECNAPUXBPT-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294741;MM294741;CC(=CCCCN)C(C)O;YOHYRSZIUCIXQC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294742;MM294742;CCON=CNCC(N)=O;SBWDKEZXWYKSAM-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294743;MM294743;CC(=CCCCN)C(C)F;BJLDAZMOYDRFIA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294744;MM294744;CC#CCOC=CC(N)=O;BFYHKUNXTQMCLU-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294745;MM294745;C#CCC1ON=C(OC)O1;ZXBMHSHGGUSJTN-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294746;MM294746;CNNC(=O)N(N)C=NO;UEGDZDOQYZJHML-UHFFFAOYSA-N;147.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294747;MM294747;CC(=CCCCF)C(C)F;HSBZKCABUCUGRZ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294748;MM294748;CN=CN(O)C(=O)NNC;AOWVPIXUPTZQQP-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294749;MM294749;CC(=CCCCN)C(F)F;ZLXCSPKOENRGOW-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294750;MM294750;CONC(=O)N(N)C=CF;MLOBDIFYIBZTOV-UHFFFAOYSA-N;149.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294751;MM294751;CC(=CCCCF)C(F)F;GEYZCAWCLGWBEX-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294752;MM294752;CONC(=N)N(C)C=NN;DITHIRIPVBERHJ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294753;MM294753;CC(C)C(F)=CCCCN;CYEIPOWVRFWQDD-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294754;MM294754;CONC(=N)N(C)C=NO;GZAIKIAFEQAVGP-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294755;MM294755;C=CC1C(C)C1C(=O)NC;ABIQOLLVUKYFAS-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294756;MM294756;CN=CN(N)C(=N)NOC;PGWZXQCMHCVLHT-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294757;MM294757;CC(F)C(F)=CCCCN;AGEXEZKZIPXKAZ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294758;MM294758;CONC(=O)N(C)C=NN;ILAVBDYUWQJCQD-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294759;MM294759;CC(F)C(F)=CCCCF;IXMLCCNCMIVTLG-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294760;MM294760;CONC(=O)N(C)C=NO;LSHSOHWUKCOAPE-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294761;MM294761;CNCCC=C(C)C(C)C;PYIXEMLQMHIPCD-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294762;MM294762;CN=CN(N)C(=O)NOC;LIBUUDXSJMTVGJ-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294763;MM294763;CNCCC=C(C)C(C)N;UQGIJTCADDERLS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294764;MM294764;CONC(=O)N(N)C=NO;ZKPWGODOLCIGBR-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294765;MM294765;CNCCC=C(C)C(C)O;UIFACBPUCVJKKS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294766;MM294766;CC(C)=NOCCNC=O;QUDBUAWKZXERKI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294767;MM294767;CNCCC=C(C)C(C)F;KNMNZTHHKQJTIU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294768;MM294768;CC=CN(C)C(=N)OCC;RFLNPYMLUYGVJR-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294769;MM294769;CNCCC=C(C)C(F)F;BBTHCHJNUHGOMX-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294770;MM294770;CC=CN(N)C(=O)OCC;PRQKTUSVGMIVIJ-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294771;MM294771;CNCCC=C(F)C(C)C;CWALLECPLBUMGS-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294772;MM294772;CCOC(=O)N(N)C=CF;YIYFZCLFEAVMSK-UHFFFAOYSA-N;148.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294773;MM294773;CNCCC=C(F)C(C)F;KOLNLSCJHOXCLB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294774;MM294774;C#CCOCC(=C)C(N)=O;YMTRMTHFLJRIDC-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294775;MM294775;CCNCC=C(C)C(C)C;WNQFTCPKSIJZBW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294776;MM294776;CC(=CCOC=O)C(N)=O;IINIFJRTQZCYBF-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294777;MM294777;CCNCC=C(C)C(C)N;STEULOBTISPUCW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294778;MM294778;CON=C(C)C(=O)C(C)=O;QJNWBHUQXLWDNL-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294779;MM294779;CCNCC=C(C)C(C)O;IKYRAAJHMUNUFA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294780;MM294780;CC=NN(C)C(=N)OCC;ZVKMZSOFXQRONJ-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294781;MM294781;CCNCC=C(C)C(C)F;STKVRVRCTGATKG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294782;MM294782;C=C(CC#N)C(C)C=CC;COIDEJHZNOERAL-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294783;MM294783;CCNCC=C(F)C(C)C;FGSLVWHJWCNBHZ-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294784;MM294784;C=C(CC=O)C(C)C=CF;JVKMIYSLPXJUQZ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294785;MM294785;CCNCC=C(F)C(C)N;WMJDGDYIIDPWFY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294786;MM294786;C=C(CC#N)C(C)C=CF;RWRDQRAPMUMMKB-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294787;MM294787;CCNCC=C(F)C(C)F;XCXUQVBLPZPHKQ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294788;MM294788;C=CCC(=C)C(N)C=CC;LLWIWYKMKPUYTG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294789;MM294789;CCOCC=C(C)C(C)C;XWTBMGRKSSSZGM-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294790;MM294790;C=CCC(=C)C(N)C=CF;XHZJNCSLPDORLX-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294791;MM294791;CCOCC=C(C)C(C)N;QUNAJXWNAFBKID-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294792;MM294792;C=C(CC=O)C(O)C=CF;KVTLYJVDNWYHQP-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294793;MM294793;CCOCC=C(C)C(C)O;ZELOJJGBRCIBCE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294794;MM294794;C=C(CC#N)C(O)C=CF;ZEULBLIKKUQIPD-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294795;MM294795;CCCOC=C(C)C(C)C;IZWCCLLIIODSPA-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294796;MM294796;C=CCC(=O)C(C)C=CC;LIKIPHJRQOEJMY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294797;MM294797;CC(=COCCO)C(C)N;WYQGXJXQDGHMLK-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294798;MM294798;C=CCC(=O)C(C)C=CF;AZFATSLKCPSEOI-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294799;MM294799;CC(=COCCN)C(C)O;SRRSOKMUMPJRKD-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294800;MM294800;C=CCC(=O)C(F)C=CF;LDGHBRHFHRPXJM-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294801;MM294801;CC(=COCCO)C(C)O;RJJRULZMNOZHSL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294802;MM294802;N#CCC(=O)C(F)C=CF;OLNHLGRUJFPONB-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294803;MM294803;CC(=COCCN)C(C)F;WTYFGFWMHSRILM-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294804;MM294804;C=CCC(=C)C(C)C=NN;KDVGLFRCVXFMBG-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294805;MM294805;CC(C)C(F)=COCCN;WWDFRADOJCKMTF-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294806;MM294806;C=C(CC=O)C(C)C=NO;GWJLLLWZZJDEDT-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294807;MM294807;CC(C)C(F)=COCCO;QKGIWEXAHYMMQS-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294808;MM294808;C=C(CC#N)C(C)C=NO;VXTKEGCAJNKTNW-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294809;MM294809;COCOC=C(C)C(C)C;OLEBEDUHESBCQP-UHFFFAOYSA-N;144.21;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294810;MM294810;C=CCC(=O)C(C)C=NO;PWIGEVBAUGDXGH-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294811;MM294811;CCCNN=C(C)C(C)C;SLPISPNHYDTMQP-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294812;MM294812;C=C(C)NC(=O)CC(=O)O;FCROWSNIUAYORD-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294813;MM294813;CC(=NNCCN)C(C)C;YEVDSDQPEAWMEE-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294814;MM294814;C=C(NC=O)C(C)C=CC;INHHJDMNDIIGTQ-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294815;MM294815;C=C(NC=N)C(O)C=CC;AXPJBXGHHZOVTQ-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294816;MM294816;Cc1cc(N)n[nH]1;FYTLHYRDGXRYEY-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294817;MM294817;C=C(NC=O)C(O)C=CC;CHIGOIRHDJPBRK-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294818;MM294818;CCCNN=C(C)C(C)N;HWNBOQJYLIOJHT-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294819;MM294819;C=CNC(=N)C(C)C=CF;WBTBKBXAWBJHQY-UHFFFAOYSA-N;142.18;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294820;MM294820;CC(=NNCCN)C(C)N;OBRWFJYWORIOLP-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294821;MM294821;CC=NN(CC=O)C(C)C;GUBRTBVLCSCKTI-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294822;MM294822;CC(=NNCCO)C(C)N;NLYHYJFVHJBEKA-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294823;MM294823;C=CNC(=N)C(N)C=CF;KJJWVLLLHSHHSS-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294824;MM294824;CC(=NNCCN)C(C)O;VQGKXYTVHTXSFM-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294825;MM294825;C=CNC(=N)C(O)C=CC;NCUVEYXGLNYFOD-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294826;MM294826;Nc1cc(F)on1;QYPHQUKGEFVELV-UHFFFAOYSA-N;102.07;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294827;MM294827;C=CNC(=N)C(O)C=CF;UGRRJSLBIOEQCN-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294828;MM294828;CCCNN=C(C)C(C)F;WPXZGZZFYDPFKS-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294829;MM294829;N=CNC(=N)C(O)C=CF;HHDBBQQPDJAEIS-UHFFFAOYSA-N;145.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294830;MM294830;CC(=NOCCN)C(C)C;VOLWIWOIFJZTGZ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294831;MM294831;C=CNC(=O)C(O)C=CF;UNLOYTUVLKESPJ-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294832;MM294832;CNC(=O)CC1CC1;KLGVWITWFZDHIX-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294833;MM294833;C=CC(C#N)(CC=O)NC;VAXRFXHUOCMEGM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294834;MM294834;CCCON=C(C)C(C)N;LUTMTYUQDHMILA-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294835;MM294835;O=CNC(=O)C(O)C=CF;JEDXJUCOCRICMK-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294836;MM294836;CC(=NOCCN)C(C)N;WETITMROWSDNRG-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294837;MM294837;CC(C=NO)C(=N)NC=N;DDNLBJUULYCPCR-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294838;MM294838;CC(=NOCCO)C(C)N;QKWQBHUBATYABZ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294839;MM294839;N=CNC(=N)C(O)C=NN;BPRBPKODLRUVKW-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294840;MM294840;CC(=NOCCN)C(C)O;RPMDLIAXGDXQSL-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294841;MM294841;N=C(NC=O)C(O)C=NN;OUYDOCUJAUDHGT-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294842;MM294842;CC(=NOCCF)C(C)F;WUGGCBXDKUROCJ-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294843;MM294843;N=CNC(=N)C(F)C=NN;COKDVXCQEPMJCP-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294844;MM294844;COCON=C(C)C(C)F;UMHLMSJTZXWIFT-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294845;MM294845;N=C(NC=O)C(F)C=NN;PYBYVAIGBPUIJX-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294846;MM294846;O=C1C(F)CC2NC12;LMBFFYCBOWDSSO-UHFFFAOYSA-N;115.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294847;MM294847;C=CN(C)C(=O)CC(=O)O;URYLRRBHYUOTNI-UHFFFAOYSA-N;143.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294848;MM294848;CC(=NCCCN)N(C)C;SJEDDAYLJBYSLA-UHFFFAOYSA-N;143.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294849;MM294849;CCC(=CC(=O)NC)CF;CPLIYMFQZDLOOO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294850;MM294850;CC(=NCCCF)N(C)C;VFJJIFMBTAJWGY-UHFFFAOYSA-N;146.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294851;MM294851;N=CN(N)C(=O)COC=O;KSULEPQEKDRVTK-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294852;MM294852;CC(=NCCCO)N(C)N;POEZFYDMUHJJIG-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294853;MM294853;CN(C=O)NCCNC=O;AYLFQUCHRZNESZ-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294854;MM294854;CC(=NCCCN)N(C)O;AETLHPUDRJWZHN-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294855;MM294855;O=C(O)CCC(=O)CF;MBVLGMJBSFUHKW-UHFFFAOYSA-N;134.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294856;MM294856;CC(=NCCCO)N(C)O;CMBBCHDLYPYUJA-UHFFFAOYSA-N;146.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294857;MM294857;NN=CC(O)C(=O)NC=O;VSNYQMWRPXHDLI-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294858;MM294858;CNCCN=C(C)N(C)N;PDIFXALMAOSUHD-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294859;MM294859;O=c1oc(O)cn1O;IZFCLGHHZLCXIJ-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294860;MM294860;CCCNN=C(C)N(C)C;OPKFGRUQKRBGMA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294861;MM294861;N=CNC(=O)C(F)C=NN;ZJRCRAODDUZDAH-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294862;MM294862;CC(=NNCCO)N(C)C;WSYYKHSIZMHKTI-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294863;MM294863;CC#Cc1cc(=O)n(O)[nH]1;WEORWVAYUMKPIY-UHFFFAOYSA-N;138.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294864;MM294864;CC(=NNCCF)N(C)C;VFXHGZOLACNHBJ-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294865;MM294865;C=CC(=O)NCCC#CC;JHLGPAXVQASJES-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294866;MM294866;CC(=NNCCN)N(C)O;GMMPCSCLKOXKDP-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294867;MM294867;C=NNC(=O)C(O)C=NN;KAEOSGMOPSVUNH-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294868;MM294868;CC(=NOCCN)N(C)O;MLUMLSLFYIEJOC-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294869;MM294869;C=CCNC(=O)CC(=O)O;QTSLNJNEQUWWRB-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294870;MM294870;CN(C=O)CCC(N)=O;IAXGWBWUZFZZIH-UHFFFAOYSA-N;130.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294871;MM294871;C=COC(=O)C(O)C=CF;FNULBBQYHMCIDU-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294872;MM294872;C=CCCC=C(C)C(C)C;ADAVUTUYEWITQI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294873;MM294873;C=COC(=C)C(C)C=NN;PJUCXHKJTOPQKM-UHFFFAOYSA-N;140.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294874;MM294874;CC(=CCCC=O)C(C)C;RJIZBKGSNHJLJH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294875;MM294875;CCC1(F)CC1CNC=O;MDPRPUDLZNZHKC-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294876;MM294876;CC(=CCCC#N)C(C)C;PRAIZEXRUAHSEU-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294877;MM294877;COC=COC=CC(=O)O;LFFHGZMLLQDFHN-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294878;MM294878;C=CCCC=C(C)C(C)N;USVCVLORLNWJRB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294879;MM294879;CC=CCNC(=O)CC;PXMVIPJLQYTGDX-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294880;MM294880;C=NOC(=O)C(C)C=CC;YJOAPSPELQGXRP-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294881;MM294881;CC(=CCCC=O)C(C)F;GLFQXOFSHVUIMB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294882;MM294882;C=CCC(=N)N(N)C=CC;VHAVTKKGJUKAGQ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294883;MM294883;CC(=CCCC=O)C(F)F;QIPRWXNGCXFECS-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294884;MM294884;CN(C=CF)C(=O)CC=O;UWTHJQGMXBTXLR-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294885;MM294885;CC(C)C(F)=CCCC#N;LWXYONDWYCXJTH-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294886;MM294886;C=CCC(=O)N(O)C=CC;VXSWGCMHDNLVDY-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294887;MM294887;CC(O)C(F)=CCCC=O;CALANGVMDCZGEA-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294888;MM294888;C=C(CC=O)N(C)C=NC;HKPSRKBSVZCPKP-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294889;MM294889;CC(F)C(F)=CCCC=O;QPJKFQNQINXEED-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294890;MM294890;N=C(CC=O)N(O)C=NO;TUUHYAUMKURRLK-UHFFFAOYSA-N;145.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294891;MM294891;CC(=CCNC=N)C(C)C;AGORNMIGJHYJMC-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294892;MM294892;CC=NN(C)C(=O)CC=O;XZEXYDDZZYDGGO-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294893;MM294893;CC(=O)NCC1CC1C;KOSDFEAZQSUUJA-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294894;MM294894;CN(C=CF)C(=N)NC=N;XBUHOJRPCZOYJA-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294895;MM294895;CC(=CCNC=N)C(C)N;KRGAVBNVFZBQRN-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294896;MM294896;N=CNC(=N)N(N)C=CF;KQDKRMAQPDBUNH-UHFFFAOYSA-N;145.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294897;MM294897;CC(=CCNC=O)C(C)N;AWXYPQGYYIJUFH-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294898;MM294898;CC=CN(N)C(=N)NC=O;HSAYFCRAKRDJLH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294899;MM294899;CC(=CCNC=N)C(C)F;DEEOEVAXLCFOHQ-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294900;MM294900;C=CNC(=N)N(O)C=CF;ADTWCNAAAUZKCB-UHFFFAOYSA-N;145.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294901;MM294901;C#CC(CC)CNC=O;NPKBDNCVPKFRLV-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294902;MM294902;N=CNC(=N)N(O)C=CF;BULORAAGVRSBCB-UHFFFAOYSA-N;146.13;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294903;MM294903;CC(=CCNC=N)C(F)F;WDPKETJTMLZMST-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294904;MM294904;CC=CN(C)C(=O)NC=O;CJGGZVBWQDIYOP-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294905;MM294905;CC(C)C(F)=CCNC=N;XDNRHAFPENEWLO-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294906;MM294906;CN(C=CF)C(=O)NC=O;HOABTKKGQVQGCR-UHFFFAOYSA-N;146.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294907;MM294907;CC(C)C(F)=CCNC=O;XYKJLFAYKULLMR-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294908;MM294908;CC(CNC=O)C1(F)CC1;NJTYSWPLJIPYSN-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294909;MM294909;C=NNCC=C(C)C(C)C;QFGAWGCARNBCMF-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294910;MM294910;C=CC=NN(CC)CC=O;RYSYCEUDYQEMFY-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294911;MM294911;C=NNCC=C(F)C(C)F;YEXXVUANZFXCKZ-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294912;MM294912;NN(C=CF)C(=O)NC=O;NBJRXVLJIXCIDO-UHFFFAOYSA-N;147.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294913;MM294913;CC(=CCOC=O)C(C)F;NEJSCXSIGNKVPB-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294914;MM294914;C=CNC(=O)N(O)C=CC;UYVNREOYDCHROK-UHFFFAOYSA-N;142.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294915;MM294915;CC(=CCOC=O)C(F)F;FLCAAHPZLPTAJH-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294916;MM294916;CC=CN(O)C(=O)NC=N;COHRIOWUJGJEIC-UHFFFAOYSA-N;143.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294917;MM294917;CC(F)C(F)=CCOC=O;PRBLDNSQPWBQMB-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294918;MM294918;N=CNC(=O)N(O)C=CF;DEGYXCCHJOPARA-UHFFFAOYSA-N;147.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294919;MM294919;C=CCOC=C(C)C(C)C;WTLHTZQJGZESKC-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294920;MM294920;C=C(NC=N)N(C)C=NN;ACMVWZVNWXERBG-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294921;MM294921;CC(=COCC=O)C(C)C;RELVIQFWOURZPM-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294922;MM294922;C=C(NC=N)N(C)C=NO;LTFLYZPXRLQUDW-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294923;MM294923;C=CCOC=C(C)C(C)N;XPSMKRRNUNAUKD-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294924;MM294924;C=C(NC=N)N(N)C=NN;BRQOVUOVCKHDGK-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294925;MM294925;C=CCOC=C(C)C(C)O;SOZYEGJYGPVCNS-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294926;MM294926;C=C(NC=O)N(N)C=NC;VFFVNRZXTXMDAY-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294927;MM294927;CC(=COCC=O)C(F)F;IIYGVYJQTDFTFY-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294928;MM294928;CCC=C(C=O)CNC=O;UPRFGJVALPLTKJ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294929;MM294929;CC(C)C(F)=COCC=O;BLACZSUIZPNVIO-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294930;MM294930;C=CC#Cc1ccc(N)[nH]1;VUAXENFJDOHTSQ-UHFFFAOYSA-N;132.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294931;MM294931;N#CCOC=C(F)C(F)F;XDTVTRYXBAXLMC-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294932;MM294932;C=CCNN=C(C)C(C)C;PSWBJEQBHZDTML-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294933;MM294933;C=CNC(=N)N(C)C=NN;SEBLWUVLYJSMKN-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294934;MM294934;CCN1C=NC(=NN)C1;HGNYCBOPJUALJA-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294935;MM294935;C=CNC(=N)N(C)C=NO;FPKIJMVOHCJJPV-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294936;MM294936;CC(=O)NC(C)C=C(C)C;KIYLEBTWRICZES-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294937;MM294937;CN=CN(C)C(=N)NC=N;GRDOCLPQBWYSKV-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294938;MM294938;C=CCON=C(C)C(C)C;WJYOQKNZWVOECH-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294939;MM294939;CN=CN(C)C(=N)NC=O;ZTUYBLCMYSLMNW-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294940;MM294940;C=CCON=C(C)C(C)N;AYMVGMAVYWHPLB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294941;MM294941;C=CNC(=N)N(N)C=NN;LQGZMBSLIDGCAB-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294942;MM294942;CCC=CC(C)NC(C)=O;GLHBYQKOEFOACZ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294943;MM294943;CN=CN(N)C(=N)NC=N;MTYHRFYBTNOEJB-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294944;MM294944;CC(=NOCC#N)C(C)F;MSMCCTUIBKTJKV-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294945;MM294945;N=CNC(=N)N(N)C=NN;XEEJKSORFIPXDO-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294946;MM294946;CC(=CC(N)=O)NCCF;CAUDWKDUYJVLKO-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294947;MM294947;N=CNC(=N)N(N)C=NO;ZCAYBANNHIHKSM-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294948;MM294948;C#CCCC=C(C)C(C)C;SXMTVFBPVYAQIP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294949;MM294949;CN=CN(O)C(=N)NC=N;PTJTXCFOQIPZMF-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294950;MM294950;C#CCCC=C(C)C(C)N;WLNDDXRASVCDTQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294951;MM294951;N=CNC(=N)N(O)C=NN;QKMCHQWFKZDUIA-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294952;MM294952;C#CCCC=C(C)C(F)F;YBOPBHLPRAEZNY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294953;MM294953;N=CNC(=N)N(O)C=NO;HVZGLKUNSBPQTM-UHFFFAOYSA-N;145.12;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294954;MM294954;C#CCOC=C(C)C(C)C;DELDGGILAZMOQN-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294955;MM294955;CC#CC1=NCC(=N)N1N;UIFKDWIKMHOFJJ-UHFFFAOYSA-N;136.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294956;MM294956;C#CCOC=C(C)C(C)N;LJEQCQGRVQWMAJ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294957;MM294957;N#CCC1NC1C(=O)C#N;RCLQBNRAZZLILK-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294958;MM294958;C#CCNN=C(C)C(C)C;KROWPYZFBPJVNU-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294959;MM294959;COCCOCCNC=O;ZVDJTYLWNRBHED-UHFFFAOYSA-N;147.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294960;MM294960;C=CC(C)(C=NN)C(N)=O;YLCDWKNNRYXEHI-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294961;MM294961;C=CNC(=O)N(C)C=NO;RARWAXPQUHRDCA-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294962;MM294962;C#CCON=C(C)C(C)N;KRMYHSOTKQYUPR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294963;MM294963;C=NNCC(N)=O;MDGCHTOHRAVVEW-UHFFFAOYSA-N;101.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294964;MM294964;CNC(=O)CC1(C)CN1C;IEGQYWKHPWOLLF-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294965;MM294965;Nc1[nH]ccc1F;HYYXXCRZSHCCLP-UHFFFAOYSA-N;100.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294966;MM294966;C#CCCN=C(C)N(C)C;MMWXZFDLELNDBG-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294967;MM294967;CC#CC(N)=CC(N)=O;QUJUKFHHYJRHHI-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294968;MM294968;C#CCCN=C(C)N(C)N;RINJAEFPJOURLF-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294969;MM294969;CN(C=NO)C(=O)NC=O;STJDYRNCAUVTEQ-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294970;MM294970;CC(C)NC(C)C(=O)C#N;LRTPEWKSMVWBGD-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294971;MM294971;NC(=O)CC1(CF)CN1;YMNOBOCYVBJVAP-UHFFFAOYSA-N;132.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294972;MM294972;CON=CCC=CC(N)=O;DGMYLTTXNDXCCG-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294973;MM294973;CC1(C)OC1CNC=O;LCAMVVJDUGJBGR-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294974;MM294974;CCCCC=C(C)C(C)=O;VWBDPSCXFCRKQY-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294975;MM294975;CNC(=O)C=CC=NN;NRTWRHQNNMYQLB-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294976;MM294976;CC(C)=COCCNC=O;PHXUBSPBTJAQKS-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294977;MM294977;N=CNC(=O)N(N)C=NO;DOGRZHXQBNCSOR-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294978;MM294978;CCCCC=C(C)C(=N)N;UTVJBLKQZSZICH-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294979;MM294979;NN=CN(N)C(=O)NC=O;GYNXNTPSWYAUIR-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294980;MM294980;CC(=CCCCO)C(=N)N;QYPJJEOUVXMGNS-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294981;MM294981;C=NNC(=N)N(C)C=CC;LHNPEKLBODDCPR-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294982;MM294982;CC(=CCCCF)C(=N)N;IXDWPFGNFOOKGB-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294983;MM294983;C=NNC(=O)N(C)C=CF;UKXFQNATTIALQZ-UHFFFAOYSA-N;145.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294984;MM294984;C=COC(=C)CCNC=O;WOBMSIWKTCYWTK-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294985;MM294985;C=NNC(=O)N(C)C=NN;HOAMIIOVGOTHBK-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294986;MM294986;C=C(C(N)=O)C(=CC)OC;JYIYHJRBICDQHT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294987;MM294987;C=NNC(=O)N(C)C=NO;VXBXBRSSARJPKB-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294988;MM294988;CCCCC=C(C)C(=O)O;FYZUENZXIZCLAZ-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294989;MM294989;C=NNC(=O)N(N)C=NN;WYSRMYSKWAXQDS-UHFFFAOYSA-N;144.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294990;MM294990;CC(=O)C(O)(C#N)C=NO;QGEXIVQEQYWWDY-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294991;MM294991;C=NNC(=O)N(N)C=NO;PGJQEFQOGOCONX-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294992;MM294992;C=C(F)C(C)=CCCCN;HHPMQYJGNHRXAT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294993;MM294993;C=NN(CC=O)CCF;ZJDQZGBYCVQLQV-UHFFFAOYSA-N;132.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294994;MM294994;CNC(OC)=C(C)C(N)=O;FINHYPIHYAACNN-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294995;MM294995;Cc1c(F)c(N)nn1N;VZRSIAGXMWOLEN-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294996;MM294996;C=C(F)C(C)=CCCCF;YCOBMGUUBSTSTQ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294997;MM294997;C=C(OC=O)N(C)C=NO;GLWYRXZCSYYQSA-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294998;MM294998;C=C(C)C(F)=CCCCN;FJMKTCMJFWOIJB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM294999;MM294999;C=Cn1cc(F)c(N)n1;DTNXQCBYECKZEV-UHFFFAOYSA-N;127.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295000;MM295000;C=C(CC=CC=O)C(N)=O;IYGAFPPWSQHSRV-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295001;MM295001;CCc1cc(F)c(N)[nH]1;UJFASXYWBROMTR-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295002;MM295002;CCCCC=C(F)C(C)=O;HUNWCZLSBJQDOQ-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295003;MM295003;CN(C=NO)C(=N)OC=O;FRRDSSBESLMAKV-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295004;MM295004;CCC#CC=C(C)C(N)=O;PBGHFEQRRYRTBT-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295005;MM295005;CN=CN(N)C(=N)OC=O;GCZIRCSHJVYGHM-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295006;MM295006;CC(=O)C(F)=CCCCF;NJTCPEKUOLEJKK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295007;MM295007;Cc1onc(NN)c1C;MFSRUXONIGYLND-UHFFFAOYSA-N;127.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295008;MM295008;O=C(O)C(F)=CCCCF;VSLUNWOJRWHPES-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295009;MM295009;N=C(OC=O)N(O)C=NO;CPOBRXYETUALIG-UHFFFAOYSA-N;147.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295010;MM295010;C=C(F)C(F)=CCCCN;WLZJVMKSAAWXHN-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295011;MM295011;C=NOC(=O)N(N)C=CC;JUMORGGICRMPRI-UHFFFAOYSA-N;143.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295012;MM295012;C=C(C)C(C)=CCCNC;HCHSKOMHIOEQRW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295013;MM295013;C=NOC(=O)N(N)C=CF;DQJRNUSVXYYCSB-UHFFFAOYSA-N;147.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295014;MM295014;CNCCC=C(C)C(C)=O;OHIUKGALEYGQIX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295015;MM295015;CCc1noc(F)c1N;HQXFCXHHOLWDKM-UHFFFAOYSA-N;130.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295016;MM295016;CNCCC=C(C)C(N)=O;VTYFPADECOKDRA-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295017;MM295017;C=NOC(=N)N(C)C=NO;GIYBESTXXHGQBF-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295018;MM295018;C=C(F)C(C)=CCCNC;PMUBWEAOVIQJRC-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295019;MM295019;C=CC(C=O)CNC=O;YKLJGZZFHFDNKU-UHFFFAOYSA-N;127.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295020;MM295020;C=C(C)C(F)=CCCNC;NPNLSJQUKRKNAD-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295021;MM295021;C=NOC(=N)N(N)C=NO;WZQCHZHFCLWMSX-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295022;MM295022;CNCCC=C(F)C(C)=O;IGXOONHGKIWSFE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295023;MM295023;C=CC#CCCNC=O;PJIRWIDGDJQOLV-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295024;MM295024;CNCCC=C(F)C(=N)N;NABHBDPPNRKFDO-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295025;MM295025;C=NOC(=N)N(O)C=NO;YNGMJSUSRYLNJJ-UHFFFAOYSA-N;146.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295026;MM295026;C=C(F)C(F)=CCCNC;QMNIOVMVCFRCDD-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295027;MM295027;C=NOC(=O)N(N)C=NC;QYQUXDDHGSQWLL-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295028;MM295028;COCCC=C(C)C(C)=O;UGNBTJZLIUGPRC-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295029;MM295029;C=NOC(=O)N(N)C=NO;PFYKKCLKZFBYAC-UHFFFAOYSA-N;146.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295030;MM295030;COCCC=C(F)C(C)=O;CLIIDPFMERXDGT-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295031;MM295031;C=NOC(=O)N(C)N=CC;LHWZOQPNHXRHQB-UHFFFAOYSA-N;143.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295032;MM295032;C=C(C)C(C)=CCNCC;OOVLCJQJAHLWNG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295033;MM295033;C#CCC(=C)C(C)C=CC;CFAIDFOTGRRGLM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295034;MM295034;CCNCC=C(C)C(C)=O;BPZJAKJZWWXYRT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295035;MM295035;C#CCC(=C)C(C)C=CF;JSNJAGOFTANBJD-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295036;MM295036;CCNCC=C(C)C(N)=O;REHNQUYDPUYFSJ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295037;MM295037;C#CCC(=C)C(O)C=CF;VRPFHUAWWSZWJN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295038;MM295038;C=C(F)C(C)=CCNCC;AASFLZOTYBEWDA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295039;MM295039;C#CCC(=O)C(C)C=CF;YBCDIODKDASSBQ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295040;MM295040;C=C(C)C(F)=CCNCC;FGRDKZJTONKUEX-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295041;MM295041;C#CCC(=C)C(C)C=NO;JBFSHJKQTHLWKF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295042;MM295042;CCNCC=C(F)C(C)=O;LJHHNFADMXUWEQ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295043;MM295043;CC(C=O)C(C)(C)NC=O;FQPMDFSKSYJGNY-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295044;MM295044;CCNCC=C(F)C(N)=O;KBRKUBVCUBHJCX-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295045;MM295045;C#CCC(=N)N(C)C=CC;YJOURTNPBVCILK-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295046;MM295046;C=C(F)C(F)=CCNCC;LHQSEHWQYGSYMQ-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295047;MM295047;C#CCC(=C)N(N)C=NC;BKKBVLLXQWQRRC-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295048;MM295048;C=C(C)C(C)=CCOCC;WJTTYWDQFQVKTG-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295049;MM295049;CC(=CC(C)F)CNC=O;ORBSXFCQGBDTDP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295050;MM295050;CCOCC=C(C)C(C)=O;UPRDUJDEOGGPNV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295051;MM295051;C#CCC(=C)N(O)C=NO;MMGCGEMKHHYXBR-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295052;MM295052;Oc1n[nH]c(O)c1O;IZDIUTIBXPSGOA-UHFFFAOYSA-N;116.08;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295053;MM295053;C=COC(C)=CC(=O)NC;ONAMQRWPAYRUCV-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295054;MM295054;CCOCC=C(F)C(C)=O;AVTYKNKAIJOJNA-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295055;MM295055;C#CCC(=O)N(N)C=NO;LPELARSBURTIOE-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295056;MM295056;CCOCC=C(F)C(N)=O;PUUARLAKBUONKO-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295057;MM295057;C#CCC(=O)N(C)N=CC;NCJYNBDIHCAFPC-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295058;MM295058;CCCNC=C(C)C(C)=O;UVOUTROUWJTMPX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295059;MM295059;C=C(C=CC)C(=C)CCC;WCXKOAOHCRWEHR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295060;MM295060;CC(=O)C(C)=CNCCO;LBKXJYBANFKQQB-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295061;MM295061;C=C(CCF)C(=O)C=CF;VSRVBSBRKPQGKX-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295062;MM295062;COCC(CC(=O)O)=NO;KJBSZSLZVGNILS-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295063;MM295063;C=C(C=CF)C(=O)CCC;CCKVEYOFGGPJTK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295064;MM295064;CCCNC=C(F)C(C)=O;NVBKTKFJMBQLQL-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295065;MM295065;C=C(C=CC)C(=O)CCF;AUCGBNXOWGHUCY-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295066;MM295066;Nn1nc(O)nnc1=O;PWMOQFKWWOQOMS-UHFFFAOYSA-N;129.08;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295067;MM295067;NC=CC(=O)C(=O)CCO;DZDPUVYNRUAUMC-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295068;MM295068;C=C(C)C(C)=COCCO;ARHMBQXDBOHSOU-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295069;MM295069;C=C(C=NO)C(=C)CCN;ORMXSDDJROQXDP-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295070;MM295070;CCCOC=C(C)C(C)=O;YKMKKIGHZULLAO-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295071;MM295071;C=C(C=CC)C(=C)CNC;GTUGBFXAAIYZME-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295072;MM295072;CC(=O)C(C)=COCCO;MUQUNGHYQGDJNO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295073;MM295073;C=C(C=CF)C(=C)CNC;GGBSCVUAZYMWEV-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295074;MM295074;CC(=COCCO)C(=N)N;XLMWCGFLSVIICM-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295075;MM295075;COCC(=O)C(=O)C=CF;VEUPFEYWZORXHE-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295076;MM295076;CCOC(N)=C(C)C(N)=O;DJWRAKQGBQYWBQ-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295077;MM295077;C=C(C=CF)C(=N)NCC;QDRKDBMJAATDMA-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295078;MM295078;CC=NN1CC(C(N)=O)C1;PWRNGNPSIQVAAB-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295079;MM295079;CCN(CC=O)N=C(C)C;FCJGXVNNROSQKZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295080;MM295080;NC(=NO)C(F)CC(=O)O;UOMOKENTTGXMCP-UHFFFAOYSA-N;150.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295081;MM295081;CC=NN=CNCC(N)=O;PSKIQHOPNWEJBE-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295082;MM295082;C=C(C)C(F)=COCCN;XSXGLHLQRMTJGR-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295083;MM295083;CCC=CCN(N)C(N)=O;VUTXEIYEBHXVFN-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295084;MM295084;C=C(C)C(F)=COCCO;ZMUXPDAOOQSWMB-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295085;MM295085;CC(C)(F)COCC(=O)O;YRIFFVHMFODKOE-UHFFFAOYSA-N;150.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295086;MM295086;CCCOC=C(F)C(C)=O;LISCUNQZSYWOSP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295087;MM295087;C=C(C=NN)C(=C)OCC;LBDOZLDYVOKSPW-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295088;MM295088;CC(=O)C(F)=COCCF;OALZQEXNBLWGJH-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295089;MM295089;C=CCC(=C)C(=C)C=CC;TZYOOYPHUJJPSR-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295090;MM295090;N=C(N)C(F)=COCCN;WTGRYQGFMNOWKH-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295091;MM295091;C=CCC(=C)C(=C)C=CF;GVNYQYVUFYAMFT-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295092;MM295092;NCCOC=C(F)C(N)=O;BYXBXVSLEHTDNJ-UHFFFAOYSA-N;148.14;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295093;MM295093;C=C(C=CC)C(=C)CC=O;NNTGFMBDGWJAPA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295094;MM295094;C=C(C)C(C)=COCOC;DQGSNOXRBYNVBD-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295095;MM295095;C=C(C=CF)C(=C)CC=O;JORQMUTUSKZQTI-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295096;MM295096;C=C(C)C(C)=NNCCC;VHKVSKZBBIHOOE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295097;MM295097;C=CCC(=C)C(=O)C=CC;ZVNBPLFNJZMAMS-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295098;MM295098;CCC(=O)NCC1(C)CC1;ATTOXHCRGSCZNQ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295099;MM295099;CON=C(CO)CC(=O)O;ZGTCJZGGPRBVIO-UHFFFAOYSA-N;147.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295100;MM295100;C=CCC(=C)C(=O)C=CN;UXQNRRGYGRJFOI-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295101;MM295101;C=C(C)C(C)=NOCCC;NRRFHKBFGBXTAZ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295102;MM295102;C=CCC(=C)C(=O)C=CF;XXBBBCSMFXHJDW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295103;MM295103;CNC(=O)CCCCCO;ARBABAXCNWMWMS-UHFFFAOYSA-N;145.2;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295104;MM295104;C=C(CC#N)C(=O)C=CC;JFZYCPVXNSTXJC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295105;MM295105;CCCON=C(C)C(=N)N;BNIWBSSRHXBVGE-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295106;MM295106;C=C(CC=O)C(=O)C=CN;UWLDULMKPDIWGU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295107;MM295107;CC(=NOCCO)C(=N)N;KIXCUVIGCXXGLE-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295108;MM295108;C=C(CC#N)C(=O)C=CN;NMAQDDMLUPTWNW-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295109;MM295109;CC=C(C)OCCNC=O;RAPMCRWNEVITCA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295110;MM295110;C=C(CC=O)C(=O)C=CF;NASJYTJFNYYRGF-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295111;MM295111;Nn1cc(O)c(F)n1;YBXKULKRKAMKEX-UHFFFAOYSA-N;117.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295112;MM295112;C=C(CC#N)C(=O)C=CF;CBTFUXOLTBQTBK-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295113;MM295113;CNN(C=N)C(=O)COC;LCAPPCOKNDLCGW-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295114;MM295114;C=CCC(=O)C(=C)C=CC;LQVPMWWDDRRBEK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295115;MM295115;C=CCC1CC1C(=O)NC;AHLLZYJJMQTEGV-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295116;MM295116;C=CCC(=O)C(=C)C=CF;RWBSIXSOHFCCNL-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295117;MM295117;C=C(F)C(C)=NOCOC;FYTLIWIMYVITLW-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295118;MM295118;C=C(C=CC)C(=O)CC=O;GODYYGNKNFJKMQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295119;MM295119;C=C(C)C(C)=CCCC=O;OAYVDVVAQTYABJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295120;MM295120;COC(CC(=O)O)C(N)=O;IKZCDDKLTHZEMK-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295121;MM295121;C=CCCC=C(C)C(C)=O;LQHMIGBMTNSZQM-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295122;MM295122;CC=CC(=O)C(=O)CC#N;JXEWEIWQTCXTTE-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295123;MM295123;C=CCCC=C(C)C(=N)N;NRQVUNFYOXEQJY-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295124;MM295124;N#CCC(=O)C(=O)C=CN;OELZPQKKCJYIIT-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295125;MM295125;CC(=CCCC=O)C(=N)N;BCKIKZRYMRESAM-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295126;MM295126;CNC(=O)C(O)CC(=O)O;OBHNUQUDKQPANJ-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295127;MM295127;CC=CC1CC1C(=O)NC;MJSHTJBSMRWTPS-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295128;MM295128;N#CCC(=O)C(=O)C=CF;HHWWOELJJRELIW-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295129;MM295129;C=CCCC=C(C)C(=O)O;DKTUGFBRFJXPAK-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295130;MM295130;C=C(C=NO)C(=C)CC=O;SFKIBAFWAMBCIP-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295131;MM295131;Cc1c(CO)n[nH]c1O;NZWMXXOYHVZJFZ-UHFFFAOYSA-N;128.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295132;MM295132;C=C(C=CC)C(=C)NC=N;OVLNRWFZGCZJLY-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295133;MM295133;C=CCCC=C(C)C(=C)F;HGVLZHZIUCQVAS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295134;MM295134;C=C(N=CN)C(=O)C=CC;OXJPFVTYKHDKBS-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295135;MM295135;C=CCCC=C(F)C(=C)C;XMOLMGCJYSPDOX-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295136;MM295136;C=C(C=CF)C(=N)NC=N;XJAUUVRZRKRLOM-UHFFFAOYSA-N;141.15;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295137;MM295137;C=CCCC=C(F)C(C)=O;NKBWGEBLVIHHNZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295138;MM295138;CC(=CC=CCO)C(N)=O;ILVANAICFOEGDN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295139;MM295139;CC(=O)C(F)=CCCC=O;SKFLSEWTDVEBHY-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295140;MM295140;C=CNC(=O)C(=C)C=CC;QFFBNLBJMMGWAL-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295141;MM295141;Nn1[nH]c(=O)n(N)c1=O;YMKQKJRVVQJCRX-UHFFFAOYSA-N;131.1;-3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295142;MM295142;C=C(C=CF)C(=O)NC=O;MRSVXXXHKAGDDF-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295143;MM295143;N#CCCC=C(F)C(=O)O;DUFIXUOGZGMRCO-UHFFFAOYSA-N;143.12;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295144;MM295144;C=CNC(=O)C(=O)C=CC;CMXSNVDCLUEMDL-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295145;MM295145;C=C(C)C(C)=CCNC=N;ULBRXTXHIQXJHA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295146;MM295146;C=CNC(=O)C(=O)C=CN;QPRBPKJAXHOZED-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295147;MM295147;N#CC#CC1NC1CC=O;HTOMSWIAMSPYKE-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295148;MM295148;C=CNC(=O)C(=O)C=CF;BKFKZSQDGFKJAN-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295149;MM295149;CCC=COCCNC=O;DIHHNINHMVZBNA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295150;MM295150;C=C(C=NN)C(=N)NC=O;MNZLKPOSRZOUSZ-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295151;MM295151;C=NNCC=C(C)C(=C)C;WIPQNDYJRYBJKW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295152;MM295152;CC1CC1(F)CCNC=O;VUFURSBFTDRMBY-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295153;MM295153;C=NOC1CC1C=O;OSIDTWGDJSLQFO-UHFFFAOYSA-N;113.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295154;MM295154;C=CNC(=O)C(=C)C=NO;UZSBQWBBLBSSTP-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295155;MM295155;O=C(O)CNN=CCO;SNTKAHQIRQYZNX-UHFFFAOYSA-N;132.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295156;MM295156;CNN=C(CC#N)C(F)F;NFNIJDUHHFFJQK-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295157;MM295157;C=COCC=C(C)C(C)=O;TXYHXXNSELYPTB-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295158;MM295158;C=C(C=NO)C(=O)NC=N;DTIANGGNEIFGMO-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295159;MM295159;CC(=CCOC=O)C(=N)N;VNWVDMQPEAAZLW-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295160;MM295160;CNN=CC#CC(=O)CF;QKLGJYGEWVUIFV-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295161;MM295161;C#CC1NC1CC=O;YARVBRWOSVPWOF-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295162;MM295162;CC=C(CNC=O)C(C)F;CSSFGPJOSRMBIV-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295163;MM295163;N=c1c(=O)onc(O)n1N;HCAFNQNWPWBYFC-UHFFFAOYSA-N;144.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295164;MM295164;C=COC(=C)C(=O)C=CN;ZKZXDEYODUYWAZ-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295165;MM295165;C=COCC=C(F)C(C)=O;GSPMZRAKOHPQIJ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295166;MM295166;C=C(OC=O)C(=O)C=CC;LFDUQXYHHXVHLL-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295167;MM295167;CC(=O)C(F)=CCOC=O;ISCQXAFDVHPRTI-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295168;MM295168;C=COC(=O)C(=O)C=CC;YXFCHNFLBYOFOT-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295169;MM295169;C=COCC=C(F)C(N)=O;JWPFXTARNVGLRV-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295170;MM295170;C#CCC(=C)C(=C)C=CC;LJVYRBRJJOSYMJ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295171;MM295171;CC(C(N)=O)N1CC1;JARUVLODPRKCKG-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295172;MM295172;C#CCC(=O)C(=C)C=CC;WGSKWVLJMXAUQG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295173;MM295173;CCNN=CC(C)C=O;TUNSLTRCQULXSD-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295174;MM295174;C#CCC(=O)C(=O)C=CN;QYYSWLXNPFEACC-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295175;MM295175;C=CC1(C)CC1NC=O;SAHYQDQGEZMZDG-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295176;MM295176;C#CCC(=O)C(=O)C=CF;OLMDGJICMSMYEY-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295177;MM295177;C=CCNC=C(C)C(C)=O;YFMHGPPAXYCAPE-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295178;MM295178;CC#CC(C)C(C)CCC;SGMYNKCWQGBNRW-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295179;MM295179;CC(=CNCC#N)C(=N)N;MRRZPGLBDFOPLU-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295180;MM295180;CC#CC(C)C(C)CCN;LQUBGFTUESKAFD-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295181;MM295181;CC1(C=O)NC1CC=O;WISGYIULSWOCAW-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295182;MM295182;O=CNCCC1(C=O)CC1;ANVOJNOACLDAKS-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295183;MM295183;C#CCNCC(C#N)=NO;YVAWGJSJOSMHPW-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295184;MM295184;CC#CC(N)C(C)CCC;DRIXHLJEPCGRCN-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295185;MM295185;O=CCC(C=CF)C(=O)O;KXDVHVRKYWJGAN-UHFFFAOYSA-N;146.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295186;MM295186;CC#CC(O)C(C)CCN;BJYPKLHDMHFRRN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295187;MM295187;C=CCNC=C(F)C(C)=O;XARSAEKNDYYSDS-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295188;MM295188;CC#CC(O)C(C)CCO;QCOOEZVJVKBHNZ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295189;MM295189;NC(=O)C(F)=CNCC=O;CBTWIDFFHDAFRD-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295190;MM295190;CC#CC(C)C(N)CCF;LAVVKZJWFOZJJY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295191;MM295191;C=CCOC=C(C)C(=C)C;URFDHONGZAAGLE-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295192;MM295192;CC#CC(N)C(N)CCC;PPFZHQSLRBKIBO-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295193;MM295193;C=C(C)C(C)=COCC=O;MFKATIKFGABFOC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295194;MM295194;CC#CC(O)C(N)CCC;YUVBREZFEICNRQ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295195;MM295195;C=C(C)C(C)=COCC#N;KRKMWLDWETVCAR-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295196;MM295196;CC#CC(F)C(N)CCC;YDOYJVVKWIGLLK-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295197;MM295197;C=CCOC=C(C)C(C)=O;IVEWLIDXADKXIJ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295198;MM295198;CC#CC(F)C(N)CCO;DSJIONGXKLDZQN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295199;MM295199;C=CCOC=C(F)C(C)=O;RGNRNDAJSXUXOY-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295200;MM295200;CC#CC(F)C(N)CCF;PGQSNECKSXENQI-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295201;MM295201;NC(=O)C(F)=COCC=O;QPFFCMSYVTXXHO-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295202;MM295202;C#CC1(CCNC=O)CN1;BKTPDQYHXKCIFK-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295203;MM295203;C=CCNN=C(C)C(=C)C;IUZKWTYZTPUIBJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295204;MM295204;CC#CC(O)C(O)CCO;LENGCBPBUUTKPL-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295205;MM295205;CC#CC1NC1CC=O;NLWDOMFYMKLIEA-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295206;MM295206;CC#CC(F)C(O)CCN;GDOZWGMZSOOUIH-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295207;MM295207;CC#CCCCNC=O;JMOMRZYUWMHRRY-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295208;MM295208;CC#CC(C)C(F)CCN;RYHKEYQZYDBWHS-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295209;MM295209;C=C(CNC=O)C1CC1;YYQVBXYMYMUYLU-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295210;MM295210;CC#CC(C)C(F)CCF;VBMHYTOHDLQTBB-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295211;MM295211;O=c1c(O)c(O)on1O;YODYFMCANOFXJQ-UHFFFAOYSA-N;133.06;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295212;MM295212;C=CCNN=C(C)C(=C)F;JPZBMAPNFCOIPL-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295213;MM295213;CC#CC(N)C(F)CCN;HJIIEAYRPYNBJA-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295214;MM295214;C=C(F)C(C)(C)CC(N)=O;TUOXIVDKLBNFOK-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295215;MM295215;CC#CC(O)C(F)CCC;ONTIGGFVWSGQAU-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295216;MM295216;CC(=NOCC=O)C(=N)N;WJHRQZSILIQUBI-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295217;MM295217;CC#CC(F)C(F)CCF;PAZJKSMMCJGTSU-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295218;MM295218;CC(F)CNC=CC(N)=O;AJSHNPPGWMLSRB-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295219;MM295219;CC#CC(C)C(C)CNC;VDWWZIMWXMUSKB-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295220;MM295220;NC(=O)C=C(N)CCCF;UBBNGZSLARKUEL-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295221;MM295221;CC#CC(N)C(C)CNC;IGEXCXYHOIBDAO-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295222;MM295222;CC(=NOCC#N)C(N)=O;QTGATUMDJBULLM-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295223;MM295223;CC#CC(O)C(C)CNC;JCXQXGISINQQEJ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295224;MM295224;COC(=CF)CC(=O)O;XQUORVSNNWYNJX-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295225;MM295225;CC#CC(C)C(N)CNC;IFSCEDQRXAUYIL-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295226;MM295226;C=C(F)C(C)=NOCC#N;KXQUPRGEDZGQQJ-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295227;MM295227;CC#CC(C)C(F)CNC;HYEUDSPICUSZJW-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295228;MM295228;C#CCCC=C(C)C(=N)N;UGUANZGIUBOHCL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295229;MM295229;CC#CC(C)C(O)COC;LTUWTFHUPXSMAA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295230;MM295230;C=C(CO)CC(=C)C(N)=O;AKBOFTABGHZMDN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295231;MM295231;CC#CC(O)C(O)COC;UFIWMFJCPFGTDX-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295232;MM295232;C#CCCC=C(C)C(=O)O;DWGBFFSKAJCARM-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295233;MM295233;CC#CC(F)C(O)COC;MDRGZLBPZHYAOE-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295234;MM295234;C#CCCC=C(F)C(C)=O;HLVJKAPVEFIELQ-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295235;MM295235;CC#CC(C)C(C)NCC;XHKZRCBFYCTLKU-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295236;MM295236;C#CCNC=C(C)C(C)=O;VNFUBZSFMQHVNZ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295237;MM295237;CC#CC(N)C(C)NCC;YYPSZMDKTGBFBE-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295238;MM295238;CN=c1nc(O)on1C=O;DRARAMKSVPCTSD-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295239;MM295239;CC#CC(O)C(C)NCC;QSSRFUBXTDUGRC-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295240;MM295240;C#CCOC=C(C)C(=C)C;HLAJVRFPXLHGSC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295241;MM295241;CC#CC(F)C(C)NCC;XJODTZUQPMRKHP-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295242;MM295242;C#CCOC=C(C)C(C)=O;KQJUNISTXLLFOS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295243;MM295243;CC#CC(C)C(C)OCC;CPSPFEIUWPDXPU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295244;MM295244;C#CCOC=C(F)C(C)=O;QCONCLBIVNPCHX-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295245;MM295245;CC#CC(C)N(C)CCC;ABNIGPLDQYLGHI-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295246;MM295246;C=C(CF)CC(=C)C(N)=O;CQPSMZJFPALUEQ-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295247;MM295247;C=CCC(C)C(C)C#CC;HQHOQUJHEJJZRZ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295248;MM295248;CC(=O)N(N)CCC(N)=O;SMBCKUSKOLMFTE-UHFFFAOYSA-N;145.16;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295249;MM295249;CC#CC(C)C(C)CC=O;TUHAACQLMFRWMA-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295250;MM295250;C=CC(OC)C(=O)O;OYVQYVPEQYANHS-UHFFFAOYSA-N;116.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295251;MM295251;C=CCC(C)C(N)C#CC;BJLMQGRTHUYLMD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295252;MM295252;CC=CCC=C(C)C(C)C;YAKHSUCDFSEYKE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295253;MM295253;CC#CC(O)C(C)CC=O;LBVWTGVGLYLFEQ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295254;MM295254;CC=CCC=C(C)C(C)N;NBAGNJPDMLEEOI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295255;MM295255;C=CCC(N)C(C)C#CC;NBIOAWRVZOZBSZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295256;MM295256;CC(=CCC=CF)C(C)N;RZBNVFLPVHXSFF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295257;MM295257;C=CCC(N)C(F)C#CC;NERGZLOBMXQLTA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295258;MM295258;CN(C=O)NCCC(N)=O;OUVZHAJZDOLOLR-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295259;MM295259;Cc1non(C(=N)N)c1=O;YLADRMSHHLTZII-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295260;MM295260;CCOC(=O)C(C)C=NN;IWUBCRMUVRPDOZ-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295261;MM295261;CC#CC(C)C(O)CC#N;PQESWHLTKRQOBH-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295262;MM295262;CC(=CCC=NN)C(C)C;ZMURIHZZHITMIG-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295263;MM295263;CC#CC(F)C(O)CC=O;MNSJXKIDENERGB-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295264;MM295264;CC(=CCC=NO)C(C)C;GIJDLHBBAQBNMY-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295265;MM295265;CC#CC(F)C(O)CC#N;NZNFFIVTTMXRRP-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295266;MM295266;C#CC(CC)=C(C)C(N)=O;FBLZSRVGRILWJY-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295267;MM295267;C=CCC(F)C(C)C#CC;HIVKHSDBDACKEM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295268;MM295268;CC(C)C(F)=CCC=NN;VLNCMUSZNBUQES-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295269;MM295269;C=CCC(F)C(O)C#CC;NQPIPHVUMIIOHI-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295270;MM295270;CC(C)C(F)=CCC=NO;UEHPDFKIWOFMRI-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295271;MM295271;CC#CC(O)C(F)CC#N;QPNOJZNXDPGPFU-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295272;MM295272;CN=CNC=C(C)C(C)C;HPCLZLCNBDXMBI-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295273;MM295273;CC#CC(F)C(C)NC=N;UZTBMWGTLHENIK-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295274;MM295274;CC(=CN=CNN)C(C)C;HXTQIZIFYQCSJV-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295275;MM295275;C=NOC(C)C(C)C#CC;OAKIDCMESWPIDH-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295276;MM295276;CN=CNC=C(C)C(C)N;LZRUCYXVAUWELT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295277;MM295277;C#Cc1ccc(NCC)[nH]1;ORIMJKVOEPLLRJ-UHFFFAOYSA-N;134.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295278;MM295278;CN=CNC=C(C)C(C)O;WMCLFNAHOAVIBD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295279;MM295279;C#CCC(C)C(C)C#CC;LNLPYFFQKDEBJO-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295280;MM295280;CN=CNC=C(C)C(C)F;LWAACAHXNRNQQY-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295281;MM295281;C#CCC(C)C(N)C#CC;XIKFUYCVVJBNJP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295282;MM295282;CC(=CN=CNN)C(C)F;MEQCINDLPIPYIH-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295283;MM295283;C#CCC(N)C(C)C#CC;JSHIGRKGDFVQRT-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295284;MM295284;CN=CNC=C(C)C(F)F;VJDSFOBINRZUHW-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295285;MM295285;C#CCC(O)C(F)C#CC;YUUHGIDUSBSXTL-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295286;MM295286;CNN(C=O)CCC(N)=O;QWMUKLPJSFMTRE-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295287;MM295287;C#CCC(F)C(F)C#CC;BSVWJPCHKGTWRW-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295288;MM295288;CN=CNC=C(F)C(C)O;PLKNRWXQRXTNAR-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295289;MM295289;C=C(C#CC)C(C)CCC;GRYKBWWCQZPBHL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295290;MM295290;CC=COC=C(C)C(C)C;QCQIDUAHTMUEAG-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295291;MM295291;CC#CC(=O)C(C)CCO;DPBDFUPGBKMLTH-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295292;MM295292;CC=COC=C(C)C(C)N;AFEKGKCVBQSGKI-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295293;MM295293;C=C(C#CC)C(N)CCN;GNQFOVLZVQOTKW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295294;MM295294;CCCNN=CC(C)C=O;NWQQUFBMAUJDTE-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295295;MM295295;CC(=O)C(=O)C(=N)N;IVKIBVSSAJUJCT-UHFFFAOYSA-N;114.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295296;MM295296;C=NN(C)C(CC)C(N)=O;IKOGMERNFHWRBD-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295297;MM295297;CC#CC(=O)C(O)CCC;LWEKMXIDBAZPRG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295298;MM295298;CC=NNC(CC)C(N)=O;QAWHXRWCQFUVOL-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295299;MM295299;C=C(C#CC)C(F)CCN;JILOGJOYHZBERT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295300;MM295300;CC(=NOC=NO)C(C)N;OKCWDMKJKVIEHC-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295301;MM295301;C=C(C#CC)C(C)CNC;NKNGAUHETVGPOU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295302;MM295302;CNC(=O)CC1C(C)N1C;ZYERGJDACFBNBQ-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295303;MM295303;C=C(C#CC)C(N)CNC;HMBNFNNRMBKLGJ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295304;MM295304;CC(=NCC=CF)N(C)N;MPPXYVVNSPLXBI-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295305;MM295305;C=C(C#CC)C(F)CNC;ZZDCWCTXCMPLOI-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295306;MM295306;CC(=NCC=NN)N(C)N;ZARHOBFWMDGQJS-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295307;MM295307;C=C(C#CC)C(N)COC;UOEMSDLCTWOPOY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295308;MM295308;CN=CNN=C(C)N(C)C;GOFRUBGYAWDTBK-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295309;MM295309;C=C(C#CC)C(C)OCC;OFDDSEFZKGSVDV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295310;MM295310;C#CCc1ncc(NC)o1;SJKTYNCLCKEDES-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295311;MM295311;CC#CC(=O)C(C)OCC;GIOFXPWUEUUPCG-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295312;MM295312;CC=CCC=C(C)C(C)=O;RRHBAZMRLDPALD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295313;MM295313;CC#CC(=N)N(C)CCN;ZNXSQQOCTKHAGH-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295314;MM295314;CC(=O)C(C)=CCC=CF;SWHGAPYBVCFKGE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295315;MM295315;CC#CC(=O)N(C)CCN;UYMWRYKHSVYFOH-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295316;MM295316;CC(=CCC=CF)C(=N)N;PYQICAITFWTUIT-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295317;MM295317;CC#CC(=O)N(C)CCF;MLTDGTNCVWVGPP-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295318;MM295318;Nc1cnc(N)o1;PJCGPTKFLDZUQC-UHFFFAOYSA-N;99.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295319;MM295319;CC=CCC=C(C)C(=O)O;XUCMDGMZBAOKAX-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295320;MM295320;CC#CC(=N)N(N)CCC;PSMNOGKNTXVYFJ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295321;MM295321;CC(=CCC=CF)C(=O)O;OEOGXXHWVUJDDP-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295322;MM295322;C=CC=NN(C)CC=O;IBJLFRHEGAABIZ-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295323;MM295323;C=C(C)C(F)=CCC=CF;HWEWDYDMJXGKRB-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295324;MM295324;CC#CC(=O)N(C)OCC;XEQVLRGBQFMQIA-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295325;MM295325;CC=CCC=C(F)C(C)=O;YPMFIZMOTJBXBU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295326;MM295326;C=CCC(C)C(=C)C#CC;MUHVGZVFLYIALX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295327;MM295327;CC(=O)C(F)=CCC=CF;RXKPNTCEOJTVAT-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295328;MM295328;C=CCC(C)C(=O)C#CC;ZRJFKCPSIKDKPU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295329;MM295329;CC(=O)C(C)=CCC=NO;GKHONIPCZYAFSE-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295330;MM295330;CC#CC(=O)C(C)CC=O;PBPUTOZUVARWLD-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295331;MM295331;C=C(C)C(=O)NC(C)C;YQIGLEFUZMIVHU-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295332;MM295332;C=CCC(N)C(=C)C#CC;FPODJVVLQUKZPB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295333;MM295333;CC(=CCC=NO)C(N)=O;CWEYGSAOAARESH-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295334;MM295334;C=C(C#CC)C(O)CC#N;FMKADYLXQFJCKT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295335;MM295335;CC(=O)C(F)=CCC=NO;JSMYDFQLVGSDRE-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295336;MM295336;CC#CC(=O)C(O)CC=O;LWQSKMBULFXOLT-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295337;MM295337;C=C(C)C(C)=CNC=NC;DFCOGXYQIYIWJJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295338;MM295338;CC#CC(=O)C(O)CC#N;SGBZNQWQANYERD-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295339;MM295339;CN=CNC=C(C)C(C)=O;DSRJONSRNLLKIZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295340;MM295340;C=C(C#CC)C(C)NC=O;RACWQBCOYHEZAP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295341;MM295341;CC(=CN=CNO)C(=N)N;PHQGTKNQHYGXGI-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295342;MM295342;CC#CC(=O)C(C)NC=O;AAAIDPHVFKZOTM-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295343;MM295343;C=C(F)C(C)=CNC=NC;DWUVNVCRHVFLCO-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295344;MM295344;CC=CCC(=O)C(=N)N;XQAAYUDJUBKWCI-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295345;MM295345;CNC(=O)C1CC1(C)C;RLAVROPFLSZZRS-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295346;MM295346;C=COC(C)C(=C)C#CC;SEQAATVCWILJHU-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295347;MM295347;CN=CNC=C(F)C(=N)N;JPDHOLRGLWDTRV-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295348;MM295348;C=C(C#CC)C(C)OC=O;ILMYZDNSHCGMTP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295349;MM295349;C#CCNC=CC(N)=O;XYAUVPAQXOWNNG-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295350;MM295350;C#CC=C(C=C)C(N)=O;QUIVNMDWVBFLSD-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295351;MM295351;C=CCN1C=NC(=N)C1;DUPSXXKXJXMMSL-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295352;MM295352;CC#CC(=O)N(C)CC=O;WPZOWOGPSTXUIL-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295353;MM295353;C=C(C)C(C)=COC=CC;IOTKCWLCDSZWSS-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295354;MM295354;CC#CC(=O)N(C)NC=O;ASFSWKNTAJDGBO-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295355;MM295355;CC=COC=C(C)C(C)=O;UFXXLOXALLGZBH-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295356;MM295356;CC#CC(=O)N(C)OC=O;RTXGRRSKIJJUKR-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295357;MM295357;CC(=O)C(C)=COC=CF;XKGLSCQDLBUEPD-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295358;MM295358;C#CCC(N)C(=C)C#CC;MPPVIPCZUOEMAK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295359;MM295359;C=C(F)C(C)=COC=CC;WEECHJYPKNERFU-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295360;MM295360;C#CCC(O)C(=C)C#CC;AGNWEWMZEUEYJH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295361;MM295361;NC(=O)C(F)=COC=CF;WWNWOPJSQIDGRP-UHFFFAOYSA-N;149.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295362;MM295362;C#CCN(C)C(=N)C#CC;BIICRHYRLVLEEY-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295363;MM295363;CC1=CCC(NC=O)C1;YGWSICKHYVAGLX-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295364;MM295364;C#CCN(N)C(=O)C#CC;OZPVZVIKIHTTGO-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295365;MM295365;CC(=NN=CNN)C(=N)N;YBWKUKFWELQIES-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295366;MM295366;C=C(CCC)C(C)C#CC;QYTLUBDUPRJSNN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295367;MM295367;CC(=NN=CNO)C(=N)N;KVLSXUYKPFGRKV-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295368;MM295368;C=C(CCN)C(C)C#CC;NGAPVZHZXIKKMO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295369;MM295369;C=CCc1ncc(N)o1;HXOUUKOBNMECRJ-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295370;MM295370;C=C(CCC)C(N)C#CC;GSMTZAICZGXOGV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295371;MM295371;C#CC1=NNC(=N)C1=O;FXUVDXRZENYEHJ-UHFFFAOYSA-N;121.1;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295372;MM295372;C=C(CCF)C(N)C#CC;HEEBFMDQACBILN-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295373;MM295373;CC=CC1CC1NC=O;NOFCKIJJPHYMBD-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295374;MM295374;C=C(CCC)C(O)C#CC;RKXKRKVZWXRZLS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295375;MM295375;C=C(C)C1CC1NC=O;KFDPBMIZENJTRZ-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295376;MM295376;C=C(CCF)C(O)C#CC;AAIWJGFAYPPSNT-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295377;MM295377;CCC1CC1C(=O)NC;SYMGDOSNGGESGB-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295378;MM295378;C=C(CCN)C(F)C#CC;UCSOHBWFUUXDCS-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295379;MM295379;CC(=NOC=NO)C(N)=O;AYLGMXSXSLPPIJ-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295380;MM295380;C=C(CCF)C(F)C#CC;SMDKWBOZAODFQM-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295381;MM295381;COC(CC(=O)O)C(F)F;WYMKIEDNWZFXNF-UHFFFAOYSA-N;154.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295382;MM295382;CC#CC(C)C(=O)CCF;PQMQJXVKXVQCKW-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295383;MM295383;C#CC(=CC(=O)O)COC;DALJYDZCSZWCJC-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295384;MM295384;CC#CC(O)C(=O)CCC;RSXCDCHDPCBADX-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295385;MM295385;CNC(=O)C1C(C)C1C;FWHMCAJFWKMDFT-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295386;MM295386;C=C(CNC)C(C)C#CC;JSLCIISICDTFDM-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295387;MM295387;CC#CCC=C(C)C(C)C;LLHVCZLFMGNDFK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295388;MM295388;CC#CC(C)C(=O)COC;DEIZEUHHXOHLMD-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295389;MM295389;CC#CCC=C(C)C(C)N;VNBDAXCGWOFASZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295390;MM295390;CC#CC(O)C(=O)COC;YBJDKGJZHNJZNN-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295391;MM295391;C=CCC(C)(C)NC(C)=O;YGGSRDNQRINBNY-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295392;MM295392;CC#CC(C)C(=N)NCC;GJZHKGWGKAMHRG-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295393;MM295393;CC#CCN=C(C)N(C)N;IFGWOQWZPZLYCL-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295394;MM295394;CC#CC(O)C(=O)NNC;HWKNFDPXKFARFN-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295395;MM295395;C=C(C)C(C)=CCC#CC;XEUISDMCVNPOEU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295396;MM295396;CC#CC(F)C(=O)NNC;CXZUXQSUNMIYFV-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295397;MM295397;CC#CCC=C(C)C(=N)N;GZFNJDSNHPCTDA-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295398;MM295398;N=C(N)n1oncc1=O;MKPWONCQXMWLGV-UHFFFAOYSA-N;128.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295399;MM295399;CC(C)(C=CF)CC(N)=O;KRDALPALOVEIKT-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295400;MM295400;O=CC(O)C=CCC(=O)O;GSOOTFYHZZYVNI-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295401;MM295401;CC#CCC=C(C)C(=O)O;KKGXCBDPYUDVBQ-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295402;MM295402;C=C(OCC)C(C)C#CC;ULUVSOXBXJJQJD-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295403;MM295403;C=C(OCC)C(O)C#CC;QCLKWGBRCGGWPY-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295404;MM295404;CCC=CC=C(C)C(C)C;NEHBAOWWBWYZKR-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295405;MM295405;CC#CC(C)C(=O)OCC;RYTCRDVKVCELBF-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295406;MM295406;CC(=CC=CCN)C(C)C;OXTWIIGNAAWUIY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295407;MM295407;CC#CC(O)C(=O)OCC;DDEMXCZFCYNAEX-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295408;MM295408;CC(=CC=CCO)C(C)C;NUMSBCSAWWULSS-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295409;MM295409;C=CCC(=C)C(C)C#CC;IBTADDRPVHZHLO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295410;MM295410;CC(=CC=CCF)C(C)C;XDGNWPKMHRLPOP-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295411;MM295411;C=C(CC=O)C(C)C#CC;OZLHTYRDVWOFLJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295412;MM295412;CCC=CC=C(C)C(C)N;GNDRWLUGADVONP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295413;MM295413;C=C(CC#N)C(C)C#CC;JPEVZLSOUMYATH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295414;MM295414;CC(=CC=CCN)C(C)N;MXGHQESPBYAAAD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295415;MM295415;C=C(CC=O)C(O)C#CC;FDXZTZTXNPZNQO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295416;MM295416;CC(=CC=CCO)C(C)N;UKEJPNHUQMDGAX-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295417;MM295417;C=CCC(=O)C(C)C#CC;ZNRQOVHFYLOMRL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295418;MM295418;C=C(F)CC(C)CC(N)=O;CJDRXYHCFKDOBP-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295419;MM295419;C=CCC(=O)C(O)C#CC;GDDSUUFNBLNEFU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295420;MM295420;CC(=CC=CCN)C(C)O;JJMGPQYEECWJIP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295421;MM295421;CC#CC(F)C(=O)CC#N;MYFDYIOJYMRBMV-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295422;MM295422;CC(=CC=CCN)C(C)F;VQUMEYCTGZFZIW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295423;MM295423;C=C(NC=N)C(C)C#CC;UPSCBCWOOPXSHF-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295424;MM295424;CC(=CC=CCO)C(C)F;RFYIKOMTTRJKQG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295425;MM295425;C=C(NC=N)C(O)C#CC;OYGBWEFPRGEPII-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295426;MM295426;CC(=CC=CCO)C(F)F;WADFIRPFNPGKQY-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295427;MM295427;C=C(NC=N)C(F)C#CC;VLHTZLGDSNISAW-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295428;MM295428;CC(C)C(F)=CC=CCN;SOZPBNFGUKJXOG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295429;MM295429;C=CNC(=N)C(C)C#CC;GZWNCXVIGGDFIO-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295430;MM295430;CC(C)C(F)=CC=CCO;WVBYTCSAFXGGRT-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295431;MM295431;CC#CC(C)C(=N)NC=N;ODQBFGFUUFCPBO-UHFFFAOYSA-N;137.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295432;MM295432;COC=CC=C(C)C(C)C;FLBWJRBQFCTLPG-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295433;MM295433;C=CNC(=N)C(N)C#CC;FKVSNNMUVTXDAM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295434;MM295434;CC(F)=CC(C)CC(N)=O;VQGWUIZLHPZFQR-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295435;MM295435;CC#CC(N)C(=N)NC=N;ALCNEZOHKISOBF-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295436;MM295436;CNN=CC=C(C)C(C)C;NGCGYTPSRNKABQ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295437;MM295437;CC#CC(O)C(=N)NC=N;BMYCQCIIDDQSSP-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295438;MM295438;CNN=CC=C(C)C(C)F;APTFXLYNNYJCIO-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295439;MM295439;CC#CC(O)C(=N)NC=O;DUOICMNISAYPRN-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295440;MM295440;CNN=CC=C(C)C(F)F;ODERAJFCVGVTAB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295441;MM295441;CC(C)(C=CCO)C=NN;BKXJURXICVBEJT-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295442;MM295442;CNN=CC=C(F)C(C)C;SGAMKDVFEVGKHC-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295443;MM295443;CC#CC(F)C(=N)NC=O;WMCHHRUBYRGKAN-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295444;MM295444;CON=CC=C(C)C(C)C;KYLCBGDKLCVIPZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295445;MM295445;CC#CC(C)C(=O)NC=O;RCQICGZMKRVCAU-UHFFFAOYSA-N;139.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295446;MM295446;CCC=NN=C(C)C(C)C;BZTDLSLJJRSHEO-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295447;MM295447;C=C(CNC=O)CC(C)F;GIUXHGURLYEAOQ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295448;MM295448;CC(=NN=CCF)C(C)C;BJFRKCYNFGGTNZ-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295449;MM295449;CC#CC(O)C(=O)NC=N;DTAWBRXXMDYSBK-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295450;MM295450;CCC=NN=C(C)C(C)O;BEZMZTDMCBYHJL-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295451;MM295451;CC#CC(O)C(=O)NC=O;ZJBFOOQDMSRUSG-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295452;MM295452;CCC=NN=C(C)C(F)F;YPTHHLMSGNCLKY-UHFFFAOYSA-N;148.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295453;MM295453;C=CNC(=O)C(F)C#CC;RCPGGYHSOPYWBB-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295454;MM295454;COC=NN=C(C)C(C)C;NJOZJLKEHZVVHA-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295455;MM295455;C=C(C)OC=CC(=O)NC;IECVTYRDMPEABL-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295456;MM295456;COC=NN=C(C)C(C)O;FSMDAGMAOXZXHT-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295457;MM295457;C=NOC(C)CC(=O)CF;YWQXKBQOTSEDIG-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295458;MM295458;COC=NN=C(C)C(C)F;VMEJNMWOFMQDKD-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295459;MM295459;C=NNC(=O)C(C)C#CC;ODRNSHUNCGURIA-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295460;MM295460;C=CC(=O)NC(C)(C)CC;UGHVZLXVTYMJBC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295461;MM295461;C=NNC(=O)C(F)C#CC;ZFWRJYNPEAYNFC-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295462;MM295462;CNN=CN=C(C)N(C)C;OAXOVVIJPJJZAK-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295463;MM295463;C=COC(=C)C(C)C#CC;SNLKTJWVTZSAJD-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295464;MM295464;C=COC(=O)C(C)C#CC;MAQNTDQCBPCLBY-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295465;MM295465;CCC=NN=C(C)N(C)C;ORCDLAMPANYCMU-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295466;MM295466;C=COC(=O)C(N)C#CC;XLPPRUVZJOXIAG-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295467;MM295467;C=C(CO)CC(C)C(N)=O;QOZUXFPURNNMRJ-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295468;MM295468;C=NOC(=O)C(F)C#CC;BSXLABACBQLTPL-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295469;MM295469;CCC=NN=C(C)N(C)N;HDGRQZBVPYWSFD-UHFFFAOYSA-N;142.21;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295470;MM295470;C#CCC(=C)C(C)C#CC;VPWJMMIIUXWGOJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295471;MM295471;C=CCC(=O)C=CN(C)C;UIDSPSKSZGYPDB-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295472;MM295472;C#CCC(=C)C(N)C#CC;GQHIEAWRESTICP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295473;MM295473;CCC(F)=CCCC(N)=O;VJQSQMDAWUPMPR-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295474;MM295474;C#CCC(=C)C(O)C#CC;YWCZTJYCFMITGM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295475;MM295475;CC(=CF)C(C)CC(N)=O;CMQOQDWODPBFIC-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295476;MM295476;C#CCC(=O)C(C)C#CC;OBESIITUPMIMLJ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295477;MM295477;COC=NN=C(C)N(C)C;ZHMFVBRHGKYKBF-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295478;MM295478;C#CCC(=O)C(O)C#CC;ZGSGCMGMZBQZPC-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295479;MM295479;C=CC=CC=C(C)C(C)C;UANCCWKCINLFPJ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295480;MM295480;C#CCC(=O)C(F)C#CC;JSMIDDSMPCLDFK-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295481;MM295481;CC(=CC=CC=O)C(C)C;DXUMMEXJMHCHGF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295482;MM295482;C=C(C#CC)C(=C)CCN;SKFBJLFIWSZRSJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295483;MM295483;CC(=CC=CC#N)C(C)C;VJLOPSAQYRZKOE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295484;MM295484;C=C(CCO)C(=O)C#CC;UEBVWUREGVLEEB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295485;MM295485;C=CC=CC=C(C)C(C)N;QAVZPKOPIOGHBP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295486;MM295486;C=C(C#CC)C(=O)CCC;NDDYQTXPIPXMAX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295487;MM295487;C=CC(=CC(N)=O)CC=O;CEHXWCJRAFHRKK-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295488;MM295488;C=C(C#CC)C(=O)CCF;BNEKGWQDPOCEMI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295489;MM295489;C=CC=CC=C(C)C(C)F;HRUUTGANBSPAGF-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295490;MM295490;CC#CC(=O)C(=O)CCC;GZDKLLIGXJIKIN-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295491;MM295491;CC(=CC=CC=O)C(C)F;GTRBITHIWOGDRA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295492;MM295492;CC#CC(=O)C(=O)CCF;ZAHNKTIBAJFGDY-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295493;MM295493;C=CC=CC=C(F)C(C)C;WVLHSGJQBUBUGR-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295494;MM295494;C=C(C#CC)C(=N)NCC;KDUQIJDLAOCCJL-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295495;MM295495;CC(C)C(F)=CC=CC#N;JBKVFDRDINEFGG-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295496;MM295496;CC#CC(=O)C(=O)NNC;WTABNIIFBOLKTK-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295497;MM295497;C=NN=CC=C(C)C(C)N;GRXANUYLMGQODW-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295498;MM295498;C#CC(C)(O)CC(=O)O;UJXHNKHTPOJNQS-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295499;MM295499;C=NN=CC=C(C)C(C)F;QSJMZAMYKZOKQE-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295500;MM295500;C=C(C#CC)C(=C)OCC;VPEDPPAATYKHBU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295501;MM295501;NC(=O)C=CNCCCF;DYRBSVYFYPCFKD-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295502;MM295502;C=C(C#CC)C(=O)OCC;ACFJYLBYCXCJEW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295503;MM295503;C=NN=CC=C(F)C(C)C;ZFVGBSICGOFTIB-UHFFFAOYSA-N;142.18;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295504;MM295504;CC#CC(=O)C(=O)OCC;QKNJSOHLYYPQLU-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295505;MM295505;C=CC=NN=C(C)C(C)O;TWWQXMJBVXUOIS-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295506;MM295506;C=CCC(=C)C(=C)C#CC;KMUXXKGRAONLAM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295507;MM295507;CC(=NN=CC=O)C(C)O;FGWIGTRDZYCUSN-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295508;MM295508;C=C(C#CC)C(=C)CC#N;CYRGHCRAXUPENM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295509;MM295509;C=C(CC=O)C(=O)C#CC;CAUKZQMZBYGZGN-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295510;MM295510;CC(=NN=CC#N)C(C)O;SFBZTRHAKMCYGM-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295511;MM295511;C=CCC(=O)C(=O)C#CC;VMLZXPNBJLHIQU-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295512;MM295512;CC(=NN=CC#N)C(C)F;RXMJPSZXDZJBCK-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295513;MM295513;CC#CC(=O)C(=O)CC#N;IOFOCWAOILZDIN-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295514;MM295514;CC(=NN=CC#N)C(F)F;WIGLMZGHRCLCGP-UHFFFAOYSA-N;145.11;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295515;MM295515;C=C(C#CC)C(=C)NC=O;QSQPTMATRYNIGN-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295516;MM295516;CC(=NC=NC=N)N(C)C;CULCUXPQUGOAJO-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295517;MM295517;C=C(C#CC)C(=N)NC=N;WKLFEJJORQSAQI-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295518;MM295518;C=NOCCC(C)=CCO;DEPKRRYITXFANZ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295519;MM295519;C=C(C#CC)C(=N)NC=O;ZNVNCYXVXXFZCY-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295520;MM295520;CC(=NN=CC=O)N(C)C;QQQHCSPFUGKCKF-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295521;MM295521;CCC(C)=NN(C)CC=O;CJRTVXAPONCMSZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295522;MM295522;C=NN=CCC(C)C(N)=O;IPGRLPBPAPAACD-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295523;MM295523;CNC(=O)C=C(C)CCF;YCPCXNVFJVPMPO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295524;MM295524;C=CC=NN=C(C)N(C)N;AONJJVTXHMGXKS-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295525;MM295525;C=NNC(=O)C(=O)C#CC;AKOIBGDGJXHYQL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295526;MM295526;C#CC=CC=C(C)C(C)N;OFEBUNNBEKUVGZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295527;MM295527;C=COC(=C)C(=C)C#CC;OAKCVCUSGFGXCX-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295528;MM295528;CC(F)C(F)C#CC=NN;TYLYDVUPXUPLSN-UHFFFAOYSA-N;146.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295529;MM295529;C=C(C#CC)C(=C)OC=O;SRLJMXPSNQEOTN-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295530;MM295530;C#CC=CC=C(C)C(C)F;AANGSCYYWVWJOW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295531;MM295531;C=COC(=C)C(=O)C#CC;VCCFIBYDLCQCGE-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295532;MM295532;C#CC=CC=C(F)C(C)C;WMHBPKMJJIBFBK-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295533;MM295533;C=COC(=O)C(=C)C#CC;JJNLLZYKNMOKEZ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295534;MM295534;C#CC=CC=C(F)C(C)O;IOINIGRRPDZSAJ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295535;MM295535;C=NOC(=O)C(=C)C#CC;VUTBKLNRDQSOBN-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295536;MM295536;C#CC=NN=C(C)C(C)O;GCNHQNIKCXKXRM-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295537;MM295537;C=NOC(=O)C(=O)C#CC;NBCPOGNKPFRNMG-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295538;MM295538;C#CC=NN=C(C)N(C)C;DQVXLHMALHQRIH-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295539;MM295539;C#CCC(=C)C(=C)C#CC;ZNRKXIAHDQWYMS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295540;MM295540;CC(C)=C(CC=O)C(N)=O;VTBPSIFGFMOPKR-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295541;MM295541;C#CCC(=C)C(=O)C#CC;WXYGIEGJWJVUHO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295542;MM295542;C=C(C)C(C)=CC=CCO;PZVIDRCAGZYCEO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295543;MM295543;C#CCC(=O)C(=C)C#CC;GOCRROOYSSXEFZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295544;MM295544;CCC=CC=C(C)C(C)=O;FMGFAGWXTOBYNB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295545;MM295545;CC=CC(C)C(C)C=CC;JASAKDWEYSDIHI-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295546;MM295546;CC(=O)C(C)=CC=CCO;WTRRCBFQMIHBLJ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295547;MM295547;CC=CC(C)C(C)C=CF;SHCTVDWKYVKUNY-UHFFFAOYSA-N;142.22;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295548;MM295548;CC(=O)C(C)=CC=CCF;BQSYUKCNABXHND-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295549;MM295549;CC=CC(C)C(N)C=CF;SKECQZYQMOQDRV-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295550;MM295550;CCC=CC=C(C)C(=N)N;UYYLBYKZYGELBB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295551;MM295551;CC=CC(N)C(C)C=CF;QDEPLSWAHLXVKF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295552;MM295552;CC(=CC=CCN)C(=N)N;HTVSVZLDWPIINE-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295553;MM295553;CC(C=CF)C(N)C=CF;ZLOZDVOROABFDC-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295554;MM295554;CCOCC(=O)N(N)C=N;NUZBYAKJRLBBKU-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295555;MM295555;CC=CC(N)C(N)C=CC;CXNQAFJBFCICTK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295556;MM295556;C#CC(=O)C=NNCC=O;OXGNSVRWTWQLJG-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295557;MM295557;CC=CC(O)C(O)C=CC;OIBIEVMGTDETCN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295558;MM295558;CCC=CC=C(C)C(=O)O;YIOWBQGNZJHSKT-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295559;MM295559;CC=CC(C)C(C)C=NN;PFJKQNLNDVLZQG-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295560;MM295560;C=C(F)C(C)=CC=CCC;BFNLTFKHFHIWLF-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295561;MM295561;CC=CC(C)C(C)C=NO;KWUQWULJSAPOGG-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295562;MM295562;C=C(C)C(F)=CC=CCO;PEXJLEDPNHHXQD-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295563;MM295563;CC=CC(C)C(N)C=NO;RKLKLGWMOOOIOX-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295564;MM295564;CC(=O)C(F)=CC=CCO;ZOYJOLLNKFXKMO-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295565;MM295565;C=CC#CCC(C)NC=O;KWWHKBLLTKQMGN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295566;MM295566;NCC=CC=C(F)C(N)=O;QNVDDWSCJQFGBI-UHFFFAOYSA-N;144.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295567;MM295567;CC=CC(C)C(O)C=NO;ARLZRRZVEFKCGC-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295568;MM295568;C=C(C)C(C)=CC=COC;DEOCDZHWXJTWMJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295569;MM295569;CC=CC(N)C(C)C=NO;LXEFJEWUYUJWQJ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295570;MM295570;COC=CC=C(C)C(C)=O;SGWSHQAYICCWNJ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295571;MM295571;C=C(C(N)=O)C(=NN)NN;NRQMLDJRDOKHOX-UHFFFAOYSA-N;143.15;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295572;MM295572;COC=CC=C(F)C(N)=O;UDSVERQJRSNQRS-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295573;MM295573;CC(=CCNC=O)C(C)F;SNAVCFWMFCENJR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295574;MM295574;C=C(C)C(C)=CC=NNC;ICDAAYFYIJJRNB-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295575;MM295575;CC(=O)C(C)=CCNC=O;VAEVMAWMRUFWCE-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295576;MM295576;CC(O)(CC(=O)O)C(F)F;TVUUCUVNBAVKMZ-UHFFFAOYSA-N;154.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295577;MM295577;CC(C=NN)C(C)C=NN;ZCRJLOVTVCAPDJ-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295578;MM295578;CNN=CC=C(N)C(=N)N;ROFGKZPWWDEFMO-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295579;MM295579;C=C(C)C(COC)NC=O;YZWFAQNQHBIXQH-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295580;MM295580;C=C(C)C(C)=CC=NOC;JEDORTMHOFWPEW-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295581;MM295581;CC(C=NO)C(C)C=NO;OXGYJVCYDTVNTM-UHFFFAOYSA-N;144.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295582;MM295582;C#CC(CC)=NNCC=O;VRMHLIZZSAMXTB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295583;MM295583;CC(C)C(NC=O)C(C)F;MKRLYXBVMXOAKI-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295584;MM295584;CON=CC=C(C)C(=N)N;LSHQLWBDIBSNDR-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295585;MM295585;CC(CF)=C(C)CNC=O;FOUXYORABSKSCG-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295586;MM295586;COCC(C)C(O)C(=O)O;CNXHBYYUETVKQJ-UHFFFAOYSA-N;148.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295587;MM295587;CC=CC(C)N(C)C=NC;OUPXAUFDXNCQLH-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295588;MM295588;CON=CC=C(N)C(=N)N;UMTPWFWJSOIFQB-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295589;MM295589;C#CC(C)=C(C)CNC=O;GFBIYMZPEJTJJI-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295590;MM295590;C=C(C)C(C)=NN=CCC;TXSZCRHQMJLCCZ-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295591;MM295591;C=NNCCNC(=O)CC;SSHMXNRRSPSDGU-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295592;MM295592;CNC(=O)C=C(C)N;HZABTOJRDKVPQW-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295593;MM295593;CC=CC(C)N(C)N=CC;YLNSEPPUABBNNX-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295594;MM295594;CC(=O)C(C)=NN=CCO;KERNQRVWNVJURR-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295595;MM295595;CC=NN(C)C(C)C=CF;VLBUHFPSIQUVPZ-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295596;MM295596;CCC=NN=C(C)C(=N)N;UZNNPQUTQUGORZ-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295597;MM295597;CN=CN(C)N(C)C=NO;RAVMRNITLFJJOT-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295598;MM295598;CC(=NN=CCF)C(=N)N;IPTWWLNHDRILJD-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295599;MM295599;C=C(C=CC)C(C)C=CC;HFSSJGWFLLKELX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295600;MM295600;CCC=NN=C(C)C(N)=O;ZFQLDFUSUCXQCJ-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295601;MM295601;CC(=NN=CCF)C(N)=O;SLSWLWOOBWEMRF-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295602;MM295602;C=C(C=CF)C(C)C=CC;NKCPOLAXVOIXGF-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295603;MM295603;C=C(F)C(C)=NN=CCO;HRLHCUUQDGKSII-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295604;MM295604;C=C(C=CC)C(C)C=CF;CUFFEMLMDWWWDP-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295605;MM295605;C=C(C)C(C)=NN=COC;HUIPHGANTPEUAD-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295606;MM295606;CC=CC(=O)C(C)C=CC;NJUBKMPUXVNPKF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295607;MM295607;C=C(F)C(C)=NN=COC;GPLOCIKDUJPGOO-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295608;MM295608;C=C(C=CC)C(N)C=CC;DXYLIGSYBGYSAP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295609;MM295609;C=C(C)C(C)=CC=CC=O;ONARLIZGBYTZPV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295610;MM295610;C=C(C=CF)C(N)C=CF;BRVHAJCBQAUAHX-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295611;MM295611;C=C(C)C(C)=CC=CC#N;MUQVLQLICLQHAH-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295612;MM295612;CC(C=O)C=CCNC=O;FBNRAKCMBWYOHO-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295613;MM295613;C=CC=CC=C(C)C(C)=O;AUTPBXZLCYMSMY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295614;MM295614;CC=CC(=O)C(O)C=CC;CJEGARIAKLYBHH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295615;MM295615;CC(=O)C(C)=CC=CC=O;YNQYKBMYTYYVJV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295616;MM295616;NC=CC(=O)C(O)C=CF;JMNZRNAWPSXZNA-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295617;MM295617;C=CC=CC=C(C)C(=N)N;FMLDGSGYAJXQHE-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295618;MM295618;C=C(C=CC)C(F)C=CC;MLVOEXCRJOVHMZ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295619;MM295619;CC(=CC=CC#N)C(=N)N;WLEVISUFOVDRBA-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295620;MM295620;CCC(=O)C=CCNC=O;YXWSPJWXZCULFR-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295621;MM295621;NN=CC=CC(N)=O;RDFCLIGETYFSJZ-UHFFFAOYSA-N;113.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295622;MM295622;C=C(C=NO)C(N)C=CC;KLUOGBUAPSOAMT-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295623;MM295623;CN1C=NC(=NN)C1;QLCPGCFAQHCHKC-UHFFFAOYSA-N;112.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295624;MM295624;CN1C(CC=O)C1(C)C#N;TUEJHISRZYWACJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295625;MM295625;C=CC=CC=C(C)C(=O)O;FJBJDQRKDNXWOC-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295626;MM295626;CC=CN(C)C(=O)C=CN;RUJAIISUNVEAGZ-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295627;MM295627;COC(C)CC(O)C(=O)O;LWNZZMLZTKSANE-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295628;MM295628;CC=CC(=N)N(N)C=CC;IYKNIAZJFOBFPD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295629;MM295629;CC(=CC=CC#N)C(=O)O;BDHDOKGAHBQEGZ-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295630;MM295630;C=CC(NC=O)C(C)OC;ZMPCNVOBCIMNJQ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295631;MM295631;C=C(F)C(C)=CC=CC#N;BMBHODQSCLYRGB-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295632;MM295632;C=CCCN(CC=O)N=C;BJJGJOFLOZNJNW-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295633;MM295633;C=CC=CC=C(F)C(=C)C;XEDIHAMYZPGTSQ-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295634;MM295634;CNN=CN(CC=O)OC;XZSPTFSYXYWHMY-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295635;MM295635;C=C(C)C(F)=CC=CC=O;FXMATXJSKJPZDG-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295636;MM295636;C=CC(C(=O)NC)=C(N)N;VJCDQIKHGMRWQE-UHFFFAOYSA-N;141.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295637;MM295637;C=CC=CC=C(F)C(C)=O;QWVGCDVWTWHDMQ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295638;MM295638;CC(C)=C(CF)CNC=O;WMSSUFRYUJDPIP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295639;MM295639;C=CC=CC=C(F)C(N)=O;AJDXTWUXZGTDNG-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295640;MM295640;N=C(C=NO)N(O)C=CF;LWDTXJKEGCZUMG-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295641;MM295641;C=CC=CC=C(F)C(=O)O;ZGIZKCAOYLFTEX-UHFFFAOYSA-N;142.13;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295642;MM295642;CN(C=NN)C(=N)C=CN;OHOBCGUVEKOYCX-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295643;MM295643;N#CC=CC=C(F)C(=O)O;UMTYLQRQQGEBPX-UHFFFAOYSA-N;141.1;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295644;MM295644;CN=CN(C)C(=O)C=CF;GXEAYTUCFUFIAN-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295645;MM295645;C=CC=CC=C(F)C(=C)F;RCRQKLKDLUFMIR-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295646;MM295646;CC1C(CC(=O)CF)N1C;ACMYCJVXTLVPNA-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295647;MM295647;C=C(F)C(F)=CC=CC#N;FOBUAODXFPLQPV-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295648;MM295648;CN(C=NO)C(=O)C=CF;BRQBCYDYRTYFQT-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295649;MM295649;C=NN=CC=C(C)C(=C)C;IVQIIHVIBOQKEG-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295650;MM295650;CC=CC(=O)N(N)C=NC;FQUFRFFKTCMVDB-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295651;MM295651;C#CCC(N)=CC(N)=O;LTEUZAWIPHDVFS-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295652;MM295652;C#CC(C#N)NN=CCF;PDGLHRNCTSZSME-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295653;MM295653;C=NN=CC=C(C)C(=C)F;JZPOVDMBIHNJLQ-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295654;MM295654;CCC(C=O)=CCNC=O;CZXBATLNRKJMAW-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295655;MM295655;C=NN=CC=C(N)C(=C)C;NBOBGMWISMHKME-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295656;MM295656;C=CC(C=O)C(C)NC=O;JPRWDVKPYFVPCE-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295657;MM295657;COCCCC(O)C(=O)O;WSPBTYGWPHZXFP-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295658;MM295658;C=NN1CC1C#CCCO;FSVSKJWXINKFAF-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295659;MM295659;C=NN=CC=C(F)C(=C)C;DKMNXFMWWJBGAC-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295660;MM295660;N=C(C=CF)N(O)C=NO;MVLXYPMNWHCSPW-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295661;MM295661;C#CC(=CC(=O)O)C(C)O;FDOGJRGPXSDNKO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295662;MM295662;OCCC#CC1CN1;KHNWMWPWQYEFKT-UHFFFAOYSA-N;111.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295663;MM295663;CC(=NN=CC#N)C(=N)N;GRIRFNUNWSTADB-UHFFFAOYSA-N;137.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295664;MM295664;O=C1CC2NC2C1=O;KOSAUIMLWGDRDI-UHFFFAOYSA-N;111.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295665;MM295665;CC(=NN=CC#N)C(N)=O;XZGPGSIKIUPQFF-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295666;MM295666;NN=CN(N)CC(N)=O;ATABAGOFBUSIGJ-UHFFFAOYSA-N;131.14;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295667;MM295667;C=C(F)C(C)=NN=CC#N;RBQFCZPGEPCFJJ-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295668;MM295668;CN1CC1CC(=O)CF;LONVRJXEVLVHIR-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295669;MM295669;C#CC=CC=C(C)C(=C)C;NNPAZICMDOQLKI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295670;MM295670;CN(C=NO)C(=O)C=NO;CEXBKYQTNDKLGS-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295671;MM295671;C#CC=CC=C(C)C(C)=O;YGFBJXKTHHJDCA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295672;MM295672;CC1NC1C#CCCO;KXEOTPHAKAMHJQ-UHFFFAOYSA-N;125.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295673;MM295673;C#CC=CC=C(C)C(=N)N;MSZJECXJFKAKGA-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295674;MM295674;CN1CC1C#CCCO;VRPWBVSYPWINMT-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295675;MM295675;C#CC=CC=C(C)C(=O)O;ZNDMBTDXUKZFGE-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295676;MM295676;C#Cc1ccc(NC)[nH]1;ZHJZTUHFOKNBAJ-UHFFFAOYSA-N;120.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295677;MM295677;C#CC=CC=C(F)C(=O)O;ZYPOHIBKPOLYKE-UHFFFAOYSA-N;140.11;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295678;MM295678;C=Cc1cc(NN)no1;AKXBHZKBSXXGIX-UHFFFAOYSA-N;125.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295679;MM295679;C#CC=CC=C(F)C(=C)F;BIAZXPPHQHELAO-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295680;MM295680;CNC(=O)C=CCC(C)F;HKQLCRHQKUTRON-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295681;MM295681;C#CC=NN=C(C)C(=N)N;ZFUMBAWDOXJAKI-UHFFFAOYSA-N;136.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295682;MM295682;C#CCC=NN(C)CC=O;FJYQIINDYWSFDN-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295683;MM295683;C#CC=NN=C(C)C(=C)F;YTGPDCFIUXBEOP-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295684;MM295684;C=NNC(C)C#CCCO;ONJNAIMUKMXVEY-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295685;MM295685;CCC#CC=C(C)C(C)C;JFNKMGMLLRBSME-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295686;MM295686;CC(F)=C(C)CCNC=O;LVJKCBSABRSQRG-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295687;MM295687;CC(=CC#CCN)C(C)C;JWIFWOMHVNTEDG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295688;MM295688;CC=NN(C)C(=O)C=CF;VQPGPVJEKUHQBA-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295689;MM295689;CCC#CC=C(C)C(C)N;PTNBQSILBDGSSJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295690;MM295690;CC(C)=C(F)CCNC=O;NVVZQNVTXKCTEB-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295691;MM295691;C=C(C=O)CCC(N)=O;ZETVFRUPCNNXFO-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295692;MM295692;CC=NN(C)C(=O)C=NO;BNSIAOADXDSHKD-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295693;MM295693;CC(=CC#CCN)C(C)F;RGXFFHZDXZAOGI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295694;MM295694;C=C(C=CF)C(=O)C=CN;CSVMEMYHWSUHFI-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295695;MM295695;CC(=CC#CCO)C(C)F;MOPXKHCTSWHZIX-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295696;MM295696;C=C(C=CF)C(=O)C=CF;FYDIEFPEPZUTQQ-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295697;MM295697;CC(=CC#CCN)C(F)F;ZQYFBRXCLMBYBC-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295698;MM295698;NC=CC(=O)C(=O)C=CN;PDVIQDNAJRIWBO-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295699;MM295699;CC(C)C(F)=CC#CCN;ONUYLHLIZQXNGW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295700;MM295700;O=C(C=CF)C(=O)C=CF;KGFNXINNXREWHM-UHFFFAOYSA-N;146.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295701;MM295701;CC(C)C(F)=CC#CCO;RQGAGGGBUPTUFK-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295702;MM295702;C=NN=C(C)C(=C)C(N)=O;XQCZBIIENRXJPE-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295703;MM295703;C=CC#CC=C(C)C(C)C;FXGAQCKPHHGMQJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295704;MM295704;C=C(C=NO)C(=O)C=CC;VYCRTSSAEIADPE-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295705;MM295705;CC(=CC#CC=O)C(C)C;JWKZZFWHGHGPHP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295706;MM295706;CC#CC(C)C(C)C=CC;TUMKYYSIGGKCFA-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295707;MM295707;CC(=CC#CC#N)C(C)C;KHVCVYZHIAVARH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295708;MM295708;CC#CC(N)C(C)C=CC;RQBVEUAKHQXTDS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295709;MM295709;C=CC#CC=C(C)C(C)N;RFEQFAXRMNDHGY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295710;MM295710;CC#CC(O)C(C)C=CC;HAMDLMYLZLRAHE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295711;MM295711;C=CC(CF)CC(N)=O;FTZICGDXJQXBSQ-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295712;MM295712;CC#CC(F)C(C)C=CC;ZJFOOOZTAFQKAF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295713;MM295713;CC(=CC#CC#N)C(C)O;OXSVEJBMHSPONR-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295714;MM295714;CC#CC(C)C(N)C=CC;CUYZAYNEOITCQM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295715;MM295715;C=CC#CC=C(C)C(C)F;IWARKFFNEFKZFD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295716;MM295716;CC#CC(N)C(N)C=CC;DKIOFFAFQUEAGM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295717;MM295717;CC(=CC#CC#N)C(C)F;FFOHTPVLFJAOHA-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295718;MM295718;CC#CC(O)C(N)C=CC;XTUFOULLCGYYQM-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295719;MM295719;C=CC#CC=C(F)C(C)C;HCOSJJKLTVQBPM-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295720;MM295720;CC(C)C(F)=CC#CC#N;TVLBEVVPDDITBF-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295721;MM295721;CC#CC(O)C(N)C=CF;ICEDBTCVCBBKSH-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295722;MM295722;CC(F)C(F)=CC#CC#N;QQIMEWFSIIURPN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295723;MM295723;C=CC(F)(CC)CNC=O;HEPLMSDDGDKALT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295724;MM295724;C#CC#CC=C(C)C(C)C;AKTLDHDYTOZUEG-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295725;MM295725;CC#CC(O)C(F)C=CF;DMKHVWFKAAEKGX-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295726;MM295726;C#CC#CC=C(C)C(C)N;ICYZSVHLKUPOTE-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295727;MM295727;CC#CC(C)C(C)C=NO;NALIXTPFUBPOJU-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295728;MM295728;NC(=O)C=CCCC=O;KBLBKOPUVJAWCZ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295729;MM295729;CC#CC(N)C(C)C=NO;GTVOFDHMIOWZDA-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295730;MM295730;C#CC#CC=C(C)C(C)F;HQVDQIVGJUZKCO-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295731;MM295731;CC#CC(O)C(C)C=NO;MZIMPABXTQCZIY-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295732;MM295732;C#CC#CC=C(F)C(C)C;HNUXRZIGWNCHGB-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295733;MM295733;C=C(C#CC)C(C)C=CC;NKVAMYBLYKAEFG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295734;MM295734;C#CC#CC=C(F)C(C)O;GVLWDZHXRDLPNJ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295735;MM295735;CC#CC(=O)C(C)C=CC;PUIYSQLTHJRBKG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295736;MM295736;C=C(C)C(C)=CC#CCC;HWVGUNKFWNXVIZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295737;MM295737;C=C(C#CC)C(N)C=CC;NFLRMFYUIYTXLF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295738;MM295738;C=C(C)C(C)=CC#CCN;RKUCJRQCYBYEDH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295739;MM295739;CC#CC(=N)N(C)C=CC;HALKTBOWWLGPHX-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295740;MM295740;C=C(C)C(C)=CC#CCO;KNDZNKXAGDJSEL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295741;MM295741;CC#CC(=O)N(C)C=CC;QWKXVHRCJAGCAY-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295742;MM295742;C=C(C)C(C)=CC#CCF;RFMVANHRTVJYKM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295743;MM295743;N=CN(C=O)CCC(N)=O;ZHNQXWWGDGVUGO-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295744;MM295744;CCC#CC=C(C)C(C)=O;AFWZKTYIDLGIPY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295745;MM295745;C=NN(C=O)CCC(N)=O;WFFBAWHKJKUGKW-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295746;MM295746;CCC#CC=C(C)C(=N)N;AZHFUABRBUVDSZ-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295747;MM295747;CC#CC(=O)N(C)C=NC;BBURAKFBDUHMID-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295748;MM295748;CC(=O)C=NNCC=O;PDGKPTYDLGZSQJ-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295749;MM295749;C#CC(C#N)NN=C(C)C;KLILKZHRTDUJKK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295750;MM295750;CC(=CC#CCN)C(N)=O;ZORDUHVZCXVPTO-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295751;MM295751;CC#CC(=O)N(N)C=NO;YSFUKVXWWRHXIH-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295752;MM295752;CCC#CC=C(C)C(=O)O;GJAXLKMQZIEXMG-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295753;MM295753;CNC(=O)C(C)=C(C)OC;GEOWSKCOSJBMNC-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295754;MM295754;C=C(F)C(C)=CC#CCC;ZQSBCAVIJQUROM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295755;MM295755;C=C(C#CC)N(O)C=NO;ANQWWQMLNCTUDV-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295756;MM295756;C=C(F)C(C)=CC#CCO;WDOVLWFBWGYDMH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295757;MM295757;CC#CC(=O)N(C)N=CC;RMGVWDMMYRSGOO-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295758;MM295758;C=C(C)C(F)=CC#CCN;OPBYVPBELBGODQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295759;MM295759;NC(=O)C(F)=CC#CCF;OGCRCROJPXYPDE-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295760;MM295760;C=C(C=CC)C(C)C#CC;NUFIVPQWDAWNPY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295761;MM295761;C=CC#CC=C(C)C(=C)C;VOYKMPIEUPVREA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295762;MM295762;C=C(C=CC)C(O)C#CC;MJMWQKDQTSFXOY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295763;MM295763;C=C(C)C(C)=CC#CC=O;YCTWIBPXFXBDDX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295764;MM295764;C=C(C=CF)C(O)C#CC;BLHICOLUPQLVJH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295765;MM295765;C=C(C)C(C)=CC#CC#N;KIJLCQDFDZFCCZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295766;MM295766;CC#CC(C)C(=O)C=CC;GWVPQFVZJCXFED-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295767;MM295767;C=CC#CC=C(C)C(C)=O;KMPRNGFBUPHOAL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295768;MM295768;CC#CC(C)C(=O)C=CN;KOCPZLWZDBXNIG-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295769;MM295769;CC(=O)C(C)=CC#CC#N;IIZAALUIIJQGBL-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295770;MM295770;CC#CC(O)C(=O)C=CN;KWYGBYRWKXGREK-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295771;MM295771;C=CC#CC=C(C)C(=N)N;PUIOIAISVGRZFU-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295772;MM295772;CC#CC(F)C(=O)C=CC;BZCPYFXEZGCULV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295773;MM295773;CC(=CC#CC=O)C(=N)N;UKTXBKQTGOMVBZ-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295774;MM295774;C=C(C#CC)C(=C)C=CC;YMKJLSZCRDFGAK-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295775;MM295775;CC(=CC#CC#N)C(=N)N;YNXLUFCPHBBNCK-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295776;MM295776;C=C(C#CC)C(=C)C=CF;YKFFDACHQJLLGE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295777;MM295777;C=C(C)C(=C)C(=O)NC;WGCGZXHRCDVVRJ-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295778;MM295778;C=C(C=CC)C(=O)C#CC;FWDJJANLANIQQA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295779;MM295779;CC(=CC#CC#N)C(N)=O;JXVISDFLMIBYIY-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295780;MM295780;C=C(C=CF)C(=O)C#CC;NYAVAIZWPPDICP-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295781;MM295781;CC(=CC#CC#N)C(=O)O;XQFSMBIIVVKNBF-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295782;MM295782;C=C(C#CC)C(=O)C=CC;NCOJNPFHZMEEDO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295783;MM295783;C=C(F)C(C)=CC#CC#N;BFNNNCOVJWQNFT-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295784;MM295784;CC#CC(=O)C(=O)C=CC;IAJFALZWERGTDB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295785;MM295785;C=CC#CC=C(F)C(=C)C;GUFKMDXBFUANLO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295786;MM295786;CC#CC(=O)C(=O)C=CN;VBJUUNSWFGONJS-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295787;MM295787;C=C(C)C(F)=CC#CC#N;BQHSQIXZVYWQEM-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295788;MM295788;C=C(C#CC)C(=C)C=NN;BIEKLWSVEKMKBG-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295789;MM295789;CC(=O)C(F)=CC#CC#N;CIWWQRFCSUOCCU-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295790;MM295790;C=C(C#CC)C(=C)C=NO;WSGBMSCHKXSYBT-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295791;MM295791;C=CC#CC=C(F)C(N)=O;XELFSRPAENLZCE-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295792;MM295792;CC#CC(C)C(C)C#CC;IFHKEMHRHFKCRY-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295793;MM295793;NC(=O)C(F)=CC#CC=O;QFQPUFWFZZLTOW-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295794;MM295794;CC#CC(C)C(N)C#CC;SFHHOKUWZCHIJJ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295795;MM295795;O=CCC(CO)C(=O)O;QZXWGGGNYORFOK-UHFFFAOYSA-N;132.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295796;MM295796;CC#CC(C)C(O)C#CC;UMAPIRCJSPMFOK-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295797;MM295797;C#CC#CC=C(C)C(=C)C;RHPOIGFFXSAGDA-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295798;MM295798;CC#CC(C)C(F)C#CC;NCHDJXGNGVYWBG-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295799;MM295799;C#CC#CC=C(C)C(C)=O;KQIYSVNDBSHUHN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295800;MM295800;CC#CC(O)C(O)C#CC;RCCOEENCSHFQFA-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295801;MM295801;C#CC#CC=C(C)C(=N)N;ZVGWDHDCRLQCMI-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295802;MM295802;CC#CC(O)C(F)C#CC;NGRPQZLDAHRUNL-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295803;MM295803;C#CC#CC=C(F)C(=C)C;SHORMHOKOOCDFL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295804;MM295804;CC#CC(F)C(F)C#CC;GYPOMAJMOJFDLI-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295805;MM295805;C#CC#CC=C(F)C(C)=O;YTTBFRWONJYNQK-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295806;MM295806;C=C(C#CC)C(C)C#CC;FAYTXHOFNKKTEB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295807;MM295807;C#CC#CC=C(F)C(N)=O;XJTVXRQRMDDNKP-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295808;MM295808;CC#CC(=O)C(C)C#CC;NYYMPTLKGFDTKM-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295809;MM295809;C#CC#CC=C(F)C(=C)F;WOVVINLACMJHLA-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295810;MM295810;C=C(C#CC)C(O)C#CC;PFDSWHWTCWZSRT-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295811;MM295811;CC(C)=C(C)CCCCN;BGQSEOLKHMNWKR-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295812;MM295812;CC#CC(=O)C(O)C#CC;LMZKJPLLLXEYSQ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295813;MM295813;CCCCCC(C)=C(C)F;GWNGZKDFZYVPJK-UHFFFAOYSA-N;144.23;3.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295814;MM295814;C=C(C#CC)C(F)C#CC;RQNKLTCNUBYMTM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295815;MM295815;CC(F)=C(C)CCCCN;VEDTWKGRFRAIKQ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295816;MM295816;CC#CC(=O)C(F)C#CC;UGXOYOGXCTXZEZ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295817;MM295817;C=COCC(=C)C(N)=O;YFFCVNAADHULMF-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295818;MM295818;C=C(C#CC)C(=C)C#CC;MWXCNIHYYJZHLN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295819;MM295819;CC(CCCCN)=C(F)F;NUJZSJSLKXGGBI-UHFFFAOYSA-N;149.18;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295820;MM295820;C=C(C#CC)C(=O)C#CC;RIXPYNCLRCEJEB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295821;MM295821;CC(C)=C(F)CCCCN;NLGQKWXLBZMELQ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295822;MM295822;CC#CC(=O)C(=O)C#CC;NEOISHIQEJTVGF-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295823;MM295823;CCC1CC1(C)NC=O;IPZLVZIXHZFGKF-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295824;MM295824;CCC=C(C)C(C)CCC;HCCGUQUPPLAZSQ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295825;MM295825;CCCCCC(F)=C(C)F;APUKQVIKWKOCMF-UHFFFAOYSA-N;148.2;3.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295826;MM295826;CC(=CCN)C(C)CCO;HGJJUEKCKOJNJW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295827;MM295827;CNCCCC(C)=C(C)C;CJBAVFHCWBJVAY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295828;MM295828;CC(=CCN)C(C)CCF;YYUXRQQANAPWRU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295829;MM295829;CCNCCC(C)=C(C)C;LRWGFOHHPOOGHY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295830;MM295830;CC(CCN)C(F)=CCF;BHIMBJQHKOUOMF-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295831;MM295831;CCNCCC(F)=C(C)C;OLRMKSMGURKDKU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295832;MM295832;CC(CCF)C(F)=CCN;RDKGCKRMTWTDCV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295833;MM295833;CCOCCC(C)=C(C)C;QGJGKRKWWXPXGT-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295834;MM295834;CCCC(N)C(C)=CCN;JQXDRODOQOIILT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295835;MM295835;CCOCCC(C)=C(C)F;YHEUKZOPMUOOPI-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295836;MM295836;CCC=C(C)C(N)CCN;IKCXKQDTYSTPCB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295837;MM295837;CCOCCC(F)=C(C)C;PWPIYRFLLIXMOA-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295838;MM295838;CCC=C(C)C(N)CCF;HSISBBVQSORZOH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295839;MM295839;CCOCCC(F)=C(C)F;GRWPSGBNTIHQIS-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295840;MM295840;CC(=CCN)C(N)CCF;NHLVWIAXMMNSPR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295841;MM295841;CCCNCC(C)=C(C)C;WWOLBAJQVJCGML-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295842;MM295842;CC(=CCF)C(N)CCF;FSSYZKMRCIPRGE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295843;MM295843;CC(=CCF)C(O)CCO;WNAZKSWPTSGTQU-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295844;MM295844;CC(F)=C(F)CNCCN;PKJLGELKJBKEMU-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295845;MM295845;CC(=CCO)C(O)CCF;CMQCIZOOXWWBNH-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295846;MM295846;CC(F)=C(F)CNCCF;PNNUOBDNOUHSDF-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295847;MM295847;NCC=C(F)C(O)CCN;GQCRBYUEORRSIU-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295848;MM295848;CC(C)=C(C)COCCO;CRNLAXYGFBGEEU-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295849;MM295849;OCC=C(F)C(O)CCO;WDVAXOGXFPKRPN-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295850;MM295850;CCCOCC(C)=C(C)F;UAJTXCBJIFCPFU-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295851;MM295851;CCCC(F)C(C)=CCN;YIOAKWHWTKSNTR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295852;MM295852;CC(F)=C(C)COCCO;VIWQKRAVPSLSJZ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295853;MM295853;CCC=C(C)C(F)CCN;YHFWEJUGSFTZLM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295854;MM295854;CC(F)=C(F)COCCN;ATLYPNNDLXKTCJ-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295855;MM295855;CC(=CCN)C(F)CCN;ZWPUHJSABZGNRA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295856;MM295856;CC(F)=C(F)COCCO;OPCUGSROTWWERS-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295857;MM295857;CC(=CCF)C(F)CCN;UDRARTYJBNMTFE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295858;MM295858;COCOCC(C)=C(C)C;VWZUTRGUDUPLNV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295859;MM295859;CC(=CCF)C(F)CCO;FLPOPYURDRXXPD-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295860;MM295860;COCOCC(C)=C(C)F;BTQBCWPUCQLZGH-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295861;MM295861;CC(=CCN)C(F)CCF;QDYGAQKOGNZAIS-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295862;MM295862;COCOCC(C)=C(F)F;XVIGGNNVFDOMBR-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295863;MM295863;CC(=CCF)C(F)CCF;UDAQQRBHZNJVNF-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295864;MM295864;COCOCC(F)=C(C)F;NDQVJDPQFOOQRZ-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295865;MM295865;NCCC(F)C(F)=CCF;KQSGEMISISJOKC-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295866;MM295866;CC(C)=C(C)OCCCN;GLZRUYNXEUHYBB-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295867;MM295867;NCC=C(F)C(F)CCO;JWDYFOBLTZMEMJ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295868;MM295868;CC(C)=C(C)OCCCO;CQRCGIYLBQYCLA-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295869;MM295869;COC=C(C)C(N)CCN;WDIBBRRXWDBBSX-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295870;MM295870;CNCCOC(C)=C(F)F;XSHOJEVHXXFXTJ-UHFFFAOYSA-N;151.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295871;MM295871;COC=C(F)C(N)CCN;JQJZJDNMHIDEMN-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295872;MM295872;COCCOC(C)=C(C)F;CNHHAOKEJKVJFJ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295873;MM295873;CCCC(O)C(C)=COC;MJPSJCXSVAQFRE-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295874;MM295874;COCCOC(C)=C(F)F;NHPZHWSEDVRGGG-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295875;MM295875;CNCC(C)C(C)=CCN;CVIAAENAUKKKSZ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295876;MM295876;CCOCOC(C)=C(C)F;ABSWFGXCMMFUMW-UHFFFAOYSA-N;148.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295877;MM295877;CNCC(C)C(C)=CCF;XOGSLRYBVGDPHB-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295878;MM295878;CCOCOC(C)=C(F)F;JEISZCGMCDBURL-UHFFFAOYSA-N;152.14;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295879;MM295879;CNCC(C)C(F)=CCF;BDNGLYQHWZDTOC-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295880;MM295880;C=CCCCC(C)=C(C)C;OVEZJEOACJZXSG-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295881;MM295881;CNCC(O)C(C)=CCN;GRWJRCKXJJADAZ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295882;MM295882;CC(C)=C(C)CCCC#N;GJNBUSBVWNBNNT-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295883;MM295883;CCC=C(C)C(F)CNC;LKSKUCOUQDETBH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295884;MM295884;C=CCCCC(C)=C(C)F;OSPZZMIQJRFXOQ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295885;MM295885;CNCC(F)C(C)=CCN;BOUAZUHEHIXUAY-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295886;MM295886;CC(F)=C(C)CCCC=O;PPSVECCTIQFWJS-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295887;MM295887;CNCC(F)C(C)=CCF;HIMLZBYZARILEG-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295888;MM295888;CNCC(F)C(F)=CCF;IJOBZRWOPPYARK-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295889;MM295889;CC(CCCC=O)=C(F)F;JWHHCPWHRWGKDD-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295890;MM295890;CNCC(N)C(C)=COC;AATCLGKSKVZCDE-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295891;MM295891;CC(CCCC#N)=C(F)F;KGNOGKFLKUKHGD-UHFFFAOYSA-N;145.15;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295892;MM295892;CNCC(F)C(C)=COC;YPTKVQMOMWCJPZ-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295893;MM295893;CC(F)=C(F)CCCC=O;NANRJYGPJCZQPD-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295894;MM295894;CCC=C(C)C(C)COC;GSCPEFKLSBSECH-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295895;MM295895;CC(C)=C(C)CCNC=N;QPAUHSZFIUHUKZ-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295896;MM295896;COCC(O)C(F)=CCO;BIAUTQDCVILXPV-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295897;MM295897;COCC(=O)N(N)C=N;FCFPDHALPCOKPH-UHFFFAOYSA-N;131.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295898;MM295898;COC=C(C)C(O)COC;VVJDDMRVVKWZPO-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295899;MM295899;CCC(=CN)C(=O)NC;NZAFILCALFJTSM-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295900;MM295900;C=C(CCCF)CNC=O;AXXBNBWBHPCZMW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295901;MM295901;CC(C)=C(F)CCNC=N;UXSJDTHXWNRNSF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295902;MM295902;CC(=CCCF)CNC=O;MNGHKHRTUJVKQQ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295903;MM295903;C=CC(=CC)C(=O)NC;MMJDCUWZTPKIMS-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295904;MM295904;CNN=C(C)C(O)CCN;MSINPTDQHXLWCS-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295905;MM295905;CC(F)=C(F)CCNC=O;DRSICIWDGQIXEH-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295906;MM295906;CNC(=O)C(C)=CC=NN;BLEJFIJXLGRGDC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295907;MM295907;C=NNCCC(C)=C(F)F;YJUAUMKQZJWRDG-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295908;MM295908;CON=C(C)C(C)CCN;IDMBZFRMHMKKGY-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295909;MM295909;C=NNCCC(F)=C(C)F;VPWRWFONDFEADO-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295910;MM295910;C=CC1(C)OC1CNC=O;RPOHLCKAFGPXGS-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295911;MM295911;CC(C)=C(C)CCOC=O;ZIUBJJNGRJGJIT-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295912;MM295912;CCCC(N)C(C)=NOC;JVSJECSEBRDMKS-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295913;MM295913;C=COCCC(C)=C(C)F;JJSAJKPQZKBRFA-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295914;MM295914;CON=C(C)C(N)CCF;QRDMZZQPGBFERE-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295915;MM295915;CC(F)=C(C)CCOC=O;DCXISOQEDGHXHH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295916;MM295916;CCC(=COC)C(=O)NC;VOXSEHCRKWIABK-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295917;MM295917;CC(C)=C(F)CCOC=O;RKGNSLFYNXSJGG-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295918;MM295918;CON=C(C)C(F)CCN;KLPCQJXSQDCHCK-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295919;MM295919;C=COCCC(F)=C(C)F;VVTINXJNSUXJLY-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295920;MM295920;CON=C(C)C(F)CCF;WQCIQFXWJADXQI-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295921;MM295921;CC(F)=C(F)CCOC=O;MDINZGBXWFDMDT-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295922;MM295922;CNCC(O)C(C)=NNC;YCPIUDKNFYDPBY-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295923;MM295923;C=NOCCC(C)=C(C)F;HPWRMJGMWCTSDS-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295924;MM295924;CCNC(C)C(C)=CCN;HAEQIHCOIKBWTE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295925;MM295925;C=NOCCC(F)=C(C)C;CRVREFINENMXJZ-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295926;MM295926;CCNC(C)C(C)=CCF;QMKQIBJDKVBPRE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295927;MM295927;C=NOCCC(F)=C(C)F;XGSDQIPIDHYJBY-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295928;MM295928;CCN=C(C)N(N)CCO;UVEARLZKZHXNIU-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295929;MM295929;C=CCNCC(C)=C(C)C;CBGKVSLAWGNWFX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295930;MM295930;CC=C(CCF)CNC=O;DDXJPHFRZJBDEL-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295931;MM295931;CC(C)=C(C)CNCC#N;LZRHBHIBOAOHJX-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295932;MM295932;CCN(CC=NN)C(N)=O;PZEHFJSJWOKFCF-UHFFFAOYSA-N;144.18;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295933;MM295933;C=CCNCC(C)=C(C)F;MOMKHZMEMARQIJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295934;MM295934;CCON(C)C(C)=NOC;HEDZCMXFOWBMAY-UHFFFAOYSA-N;146.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295935;MM295935;CC(F)=C(C)CNCC#N;BOYHFSSYGYRVOJ-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295936;MM295936;CC(=CC#N)C(C)CCF;OESGCHIGKLMYLD-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295937;MM295937;C=CC=C(F)C(C)CCN;NJZXKZXBUSSMSJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295938;MM295938;CC(C)=C(C)CNNC=N;HHRXYGCXXTVJJU-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295939;MM295939;CC(CCF)C(F)=CC=O;QQNXPGALMRUWLO-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295940;MM295940;O=CCNN=CC(F)(F)F;HEERMVWEXUMZGV-UHFFFAOYSA-N;154.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295941;MM295941;C=CC=C(C)C(N)CCF;ZGHVFARMGAWLEC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295942;MM295942;CC(F)=C(C)CNNC=N;SSRIGQHSBHLBET-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295943;MM295943;CC(=CC=O)C(O)CCO;WIHPFLLRADBIJD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295944;MM295944;N=CNNCC(F)=C(F)F;WDFVMERNOIKXBC-UHFFFAOYSA-N;153.11;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295945;MM295945;CC=C(OC)C(C)NC=O;QZJZKJNKYVMQTE-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295946;MM295946;O=CNNCC(F)=C(F)F;QXSQVITUTWJDCB-UHFFFAOYSA-N;154.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295947;MM295947;C=CC=C(C)C(F)CCN;GJKLHIKRIQHOPK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295948;MM295948;CC(C)=C(C)COCC#N;UMXZXOIVCCAUOR-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295949;MM295949;O=CC=C(F)C(F)CCO;MBWRCXVKAFRWOA-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295950;MM295950;CC(COCC#N)=C(F)F;WZSCUDSYRSHMBC-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295951;MM295951;C=CC=C(C)C(C)CNC;VOWMZIDXDPMQFY-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295952;MM295952;CC(F)=C(F)COCC=O;HEXVNPXKPOORED-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295953;MM295953;CNCC(C)C(C)=CC#N;KBVLPDZLVNLNAZ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295954;MM295954;CC(F)=C(F)COCC#N;XJDWUPHHBBGWTH-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295955;MM295955;CNCC(C)C(N)=CC=O;LTRXWNUKPGLYPD-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295956;MM295956;N#CCOCC(F)=C(F)F;SZQNXCUGHFBTOA-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295957;MM295957;CNCC(C)C(F)=CC=O;RWUKNDGDQYTGHW-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295958;MM295958;CC(C)=C(C)CONC=O;BUSVYEAVQBAQPI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295959;MM295959;CNCC(O)C(C)=CC=O;NKXSOBCRGCJGBR-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295960;MM295960;CC(F)=C(C)CONC=N;YVEOTTUFOYUQOA-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295961;MM295961;CNCC(O)C(N)=CC#N;FQMYWOIGZVBQKC-UHFFFAOYSA-N;141.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295962;MM295962;CC(F)=C(C)CONC=O;DHMUVVOEVMUSBP-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295963;MM295963;CNCC(O)C(F)=CC#N;YIYSPPCABVZJTO-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295964;MM295964;CC(C)=C(F)CONC=N;QIUVZOQTJGBHRL-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295965;MM295965;C=CC=C(C)C(F)CNC;XIWLDSDUGXTDFO-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295966;MM295966;CC(C)=C(F)CONC=O;DCOIIKPCBOGBRZ-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295967;MM295967;CNCC(F)C(C)=CC#N;FKDGBHPMZDGCJR-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295968;MM295968;C=CCCOC(C)=C(C)C;LTWKMJOWCSUOJS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295969;MM295969;CNCC(F)C(N)=CC#N;VENUIBBPPFBHLF-UHFFFAOYSA-N;143.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295970;MM295970;CC(C)=C(C)OCCC#N;NHJZBHFCVPYWTN-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295971;MM295971;C=CC=C(C)C(C)COC;YFALQQVRPIOLFS-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295972;MM295972;CC(OCCC#N)=C(F)F;KYMSIERBLQJERN-UHFFFAOYSA-N;147.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295973;MM295973;COCC(C)C(C)=CC=O;OOIAOHVOCQWJDZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295974;MM295974;C=COCOC(C)=C(C)C;LWGOJFQBSDCWQC-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295975;MM295975;COCC(F)C(F)=CC#N;KTIADLZJEWWBCM-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295976;MM295976;CC(C)=C(C)OCOC=O;QZEJASDFWVEGIE-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295977;MM295977;C=NN=C(C)C(C)CCN;BOYGILFDHGNXNJ-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295978;MM295978;C=COCOC(C)=C(C)F;VIXNRVVEMPTJAF-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295979;MM295979;CCC1(C#N)NC1CC=O;IRTWCDUOEPFVLG-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295980;MM295980;CC(F)=C(C)OCOC=O;BJDFTFJZIQZKQO-UHFFFAOYSA-N;148.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295981;MM295981;C=NN=C(C)C(N)CCC;CJYVTSNCLXHMNI-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295982;MM295982;C=NN=C(C)C(N)CCN;BRAWQLVNGCMDBA-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295983;MM295983;C#CCCCC(C)=C(F)F;YULYQNLGBGWIKW-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295984;MM295984;C=NN=C(C)C(O)CCO;HRFDGMOEXQFOAW-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295985;MM295985;C#CCCCC(F)=C(C)F;MIDKZQWPIWKNLL-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295986;MM295986;C=NN=C(C)C(F)CCN;XPSZTNKSTMMSCR-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295987;MM295987;C#CCOCC(F)=C(C)F;OPRUMUWWJWKFNG-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295988;MM295988;C=NN=C(C)C(F)CCF;OLGOOPHSQCIUFM-UHFFFAOYSA-N;148.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295989;MM295989;CC=CCCC(C)=C(C)F;GNAUMJROMDXGSM-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295990;MM295990;C=NN=C(C)C(N)CNC;YBMXFYPBEWINOA-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295991;MM295991;CC=CCCC(F)=C(C)C;HBSRTLUGEGWYAU-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295992;MM295992;C=NN=C(C)C(O)COC;FBDNLQLMUMNKDQ-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295993;MM295993;CC(F)=C(F)CCC=CF;PJTPXMCUTNJXPI-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295994;MM295994;CCNC(C)C(C)=CC#N;UDMCMLNOGYMSCG-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295995;MM295995;CC(C)=C(C)CCC=NO;QCDATQNNJWOUPW-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295996;MM295996;CCOC(C)C(C)=CC=O;GNHKINBTXQDQIM-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295997;MM295997;CC(F)=C(C)CCC=NO;COWGQGORDCJIQY-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295998;MM295998;CCOC(C)C(C)=CC#N;YFACFKOOYDNONI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM295999;MM295999;CC(CCC=NN)=C(F)F;OUSAWBIKSNIANX-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296000;MM296000;CCOC(C)C(N)=CC=O;KPPRVZFOMWDUFC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296001;MM296001;CC(C)=C(F)CCC=NO;OQKYXCOJEGPYHM-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296002;MM296002;CC(=NC=N)N(C)CCO;SUBSPQIWNKHHDT-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296003;MM296003;CC(F)=C(F)CCC=NN;ZZGNZZMMXCHYDO-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296004;MM296004;CC(=NC=O)N(O)CCF;SGQOVOPQZKBKBV-UHFFFAOYSA-N;148.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296005;MM296005;CC(F)=C(F)CCC=NO;BXKUGMXFXLMASE-UHFFFAOYSA-N;149.14;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296006;MM296006;CC=Cc1cc(NN)no1;OJRAJWYUGHHCTM-UHFFFAOYSA-N;139.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296007;MM296007;CC(C)=C(C)CN=CNN;MVUYXBKVWBPQFE-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296008;MM296008;CCN1CC1C#CCCO;CABQJLOJSLGPMP-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296009;MM296009;CN=CNCC(C)=C(C)F;BKQBIQPMCKKGCJ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296010;MM296010;C=NN=C(C)N(N)CCF;NMJHSLVZUOASRO-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296011;MM296011;CC(F)=C(C)CN=CNN;QGCYROADTZFYJR-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296012;MM296012;C=C(F)C(C)=CC(N)=O;NFEZINRQAHGTEA-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296013;MM296013;CN=CNCC(C)=C(F)F;IYHYBDXJOGPVEL-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296014;MM296014;CN(CC=O)CC(N)=O;QDDVADUXAUIENX-UHFFFAOYSA-N;130.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296015;MM296015;CN=CNCC(F)=C(C)F;ZBZGCRRXNPOFDA-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296016;MM296016;C#CC=C(C)C(C)CCC;POGCFMNDSNTUHY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296017;MM296017;CC=NNCC(F)=C(C)F;FQMHCVJXAWMMBW-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296018;MM296018;NC(=O)C=CN(N)C=O;HPRYDTSYCZHECQ-UHFFFAOYSA-N;129.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296019;MM296019;C=C(F)CCCCC(N)=O;XQFYJVXLKXCHCD-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296020;MM296020;C#CC=C(C)C(N)CCC;IZJINMYYDOJJFQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296021;MM296021;CC=COCC(C)=C(C)F;LDYVVRFCPIZTDL-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296022;MM296022;C#CC=C(C)C(O)CCO;SXSBFILEGUNRBP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296023;MM296023;CC=COCC(F)=C(C)C;WTPHZSHXDKZTEY-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296024;MM296024;C#CC=C(C)C(C)COC;LHDXQNOTIJMCCK-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296025;MM296025;C#CC=C(F)C(O)COC;QQEJHIUOZCNOHV-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296026;MM296026;CC=COCC(F)=C(C)F;FFOWVCFSTBXUMP-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296027;MM296027;C#CC=C(C)C(C)OCC;ILSMWTJIGYIJHI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296028;MM296028;CC(F)=C(F)COC=CF;QMZRICOGNKUYCT-UHFFFAOYSA-N;152.12;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296029;MM296029;CC(=CCF)C(C)CC=O;VJAAPGFAUHVUKJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296030;MM296030;CC(F)=CCCCC(N)=O;IXIYJHLYFMYFJF-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296031;MM296031;CC(CC=O)C(F)=CCF;HLMNDUXVDKXKBH-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296032;MM296032;CC(C)=C(C)COC=NO;HGDHDYZJERNCFO-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296033;MM296033;C=CCC(N)C(C)=CCC;KDMJEMHERHNZFA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296034;MM296034;C=CC(C)(C)C(=O)NCC;TWQLRAKGHOGSMX-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296035;MM296035;C=CCC(N)C(C)=CCO;SSUVKYGTJMTLPL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296036;MM296036;CC(F)=C(C)COC=NO;WNXSZHCKHORSHP-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296037;MM296037;CC(=CCO)C(O)CC=O;WLHKNQKTRBYPMA-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296038;MM296038;C=C(C)CNC(=O)CCC;MWLAIDORQAGDNM-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296039;MM296039;CC(=CCO)C(O)CC#N;TVJZICVRLUAOBU-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296040;MM296040;CC(C)CNC(=O)C=CN;MXMIWXVREQVPSA-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296041;MM296041;O=CCC(O)C(F)=CCO;IWDCNLUJQWRFON-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296042;MM296042;CC(C)=C(F)COC=NO;AOMNADACUJRCCX-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296043;MM296043;N#CCC(O)C(F)=CCO;GIJXVBOQSVUZRH-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296044;MM296044;CC=NOCC(C)=C(C)C;FXWOXRGEGDYOJK-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296045;MM296045;C=CCC(F)C(F)=CCC;ZKGDWJZQBGPPSB-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296046;MM296046;CC=NOCC(C)=C(C)F;QDLPMIMQALQTLK-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296047;MM296047;CCC=C(F)C(F)CC=O;CAGLDYBFYLLIRW-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296048;MM296048;CC=NOCC(F)=C(C)C;JYYHEBSWGCVHSJ-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296049;MM296049;C=CCC(C)C(C)=NNC;GKOFEKCRYFOLHM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296050;MM296050;CC=NOCC(F)=C(C)F;LUWHZYLAKRKAGW-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296051;MM296051;CC(C(N)=O)=C(N)C=O;LBLJNIXEYZUQRW-UHFFFAOYSA-N;128.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296052;MM296052;CC(C)=C(C)OCC=NN;JQXXOFUYXFJSHF-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296053;MM296053;CC(C)C(F)CNC=O;SVQDXSYHEVHFIC-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296054;MM296054;CC(C)=C(C)OCC=NO;NXDVISABVXVNNK-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296055;MM296055;C=CCC(N)C(C)=NOC;RXCMGWWDXGZGTR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296056;MM296056;CC(F)=C(C)OCC=NN;CJQPWLJXNBTYEW-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296057;MM296057;C=CC(F)CCNC=O;GPCPILVGURELQD-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296058;MM296058;CC#CCCC(C)=C(C)C;DAZGNICIGNPFCO-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296059;MM296059;C=C(CF)CCNC=O;YZRFKOAJYHAWLK-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296060;MM296060;CC#CCCC(C)=C(C)F;GORBSGHVZBCWBC-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296061;MM296061;CCC=C(C)C(C)NC=N;AJJMNFGXCPRROO-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296062;MM296062;CC#CCCC(F)=C(F)F;BZIGBHGPELOSCB-UHFFFAOYSA-N;148.13;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296063;MM296063;CC(=CCN)C(C)NC=N;ZRBMNWBTULONAP-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296064;MM296064;CC#CCOC(C)=C(C)C;CABODKWOEIDGOW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296065;MM296065;CC(=CCO)C(C)NC=N;MMLZZWMMWXSOHX-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296066;MM296066;CC#CCOC(C)=C(F)F;WFLRVYSLIZGFIY-UHFFFAOYSA-N;146.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296067;MM296067;CCCN(NC)C(N)=O;SZSWGFNTFXXOCQ-UHFFFAOYSA-N;131.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296068;MM296068;CCC=CCC(C)=C(C)C;YBMHIVQQSQSSKP-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296069;MM296069;CC(NC=N)C(F)=CCF;MVJYKVAUJQVEST-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296070;MM296070;CC(C)=C(C)CC=CCN;WMSQKTHZJJNLHB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296071;MM296071;COC=C(C)C(C)NC=N;FWWZQLNJLMBAMN-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296072;MM296072;CCC=CCC(C)=C(C)F;RAKXHJVIMWSXNM-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296073;MM296073;COC=C(F)C(C)NC=N;BFMYSWMTEMHZSH-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296074;MM296074;CC(F)=C(C)CC=CCN;PCBWGFSWMYTUTI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296075;MM296075;C=NNC(C)C(C)=CCF;PZNYHNZVDINZFW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296076;MM296076;CC(F)=C(C)CC=CCO;MZKXVEOELICEPV-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296077;MM296077;CNN=C(C)C(C)NC=N;RGDPGWKYLMSXTG-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296078;MM296078;CC(F)=C(C)CC=CCF;HLBQTDOUWAASRW-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296079;MM296079;CON=C(C)C(C)NC=N;SVDPCJUQDHXVGJ-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296080;MM296080;NCC=CCC(F)=C(F)F;XSLXLXINBRICNC-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296081;MM296081;C=COC(C)C(C)=CCN;LQZQGPCLCSFPHB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296082;MM296082;OCC=CCC(F)=C(F)F;OUUFGCMGFIOZLS-UHFFFAOYSA-N;152.12;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296083;MM296083;C=COC(C)C(F)=COC;ACQFARUJSDBPMV-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296084;MM296084;CCN=CNC(C)=C(C)F;CNPMFPCEMZGYQY-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296085;MM296085;C=NOC(C)C(C)=COC;MRSMAFUEESYALJ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296086;MM296086;C=C(F)C(C)CCC(N)=O;SXFXAHFYIXZLQU-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296087;MM296087;CON=C(C)C(C)OC=O;DMVIUSASZUQMNL-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296088;MM296088;CC(C)=C(C)OC=CCN;YGYUPULCGVDGEB-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296089;MM296089;CCN=C(C)N(C)CC=O;NUKWSGORHRZTCV-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296090;MM296090;CC(C)=C(C)OC=CCO;WTAPVVVNTRYGFX-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296091;MM296091;CCN=C(C)N(C)CC#N;GGEKWAIIUVEESZ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296092;MM296092;CC=C(CNC=O)OC;MTRLIOXOHZQRIJ-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296093;MM296093;CC(F)=C(C)OC=CCN;FLZNSTOYHFYYKY-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296094;MM296094;C=CCN(N)C(C)=NOC;QGSBOZCMZGQGHG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296095;MM296095;CC(F)=C(C)OC=CCO;BEOGLEMSKLGDNS-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296096;MM296096;NN=CC=CCNC=O;FVKYZOBDMQRXKJ-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296097;MM296097;CC(F)=C(C)OC=CCF;GKDFRTRQBKHYEC-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296098;MM296098;CCN=C(C)N(C)NC=N;HDZXNTPTOUWDDN-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296099;MM296099;CC(OC=CCN)=C(F)F;QDWGCARUOSLUOJ-UHFFFAOYSA-N;149.14;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296100;MM296100;CCN=C(C)N(C)NC=O;VMBNTDHAMVFLHM-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296101;MM296101;CC(OC=CCO)=C(F)F;OZNMNHRVRXERNU-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296102;MM296102;CNN=C(C)N(C)NC=N;MMGCOPHRJRIDRD-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296103;MM296103;COC=COC(C)=C(F)F;OHRBUMMGWYMAIP-UHFFFAOYSA-N;150.12;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296104;MM296104;CON=C(C)N(C)NC=N;KXTLDQFCLUNBRQ-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296105;MM296105;CC=C(F)CCCC(N)=O;ZPPKTIVLCATTJZ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296106;MM296106;C=CC=C(C)C(C)CC=C;VTVNDCOVSOUZTQ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296107;MM296107;CON=COC(C)=C(C)F;MOTQZRCPPMJHIY-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296108;MM296108;C=CCC(C)C(C)=CC#N;ARPXWXWAVAYEMO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296109;MM296109;CON=COC(C)=C(F)F;HLAYDISCRBTJCD-UHFFFAOYSA-N;151.11;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296110;MM296110;C=CC=C(C)C(C)CC=O;NUOILAXMQYYLTO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296111;MM296111;CC(C)=C(C)CC=CC#N;KWLAAKKYHDZXLT-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296112;MM296112;C=CC=C(C)C(C)CC#N;QTUBDPBMLNMYAR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296113;MM296113;C=CC=CCC(C)=C(C)F;AQYAPCLYXSTEGA-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296114;MM296114;C=CCC(C)C(N)=CC#N;KYCUEKXDZLXHPN-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296115;MM296115;CC(F)=C(C)CC=CC=O;IJZSBXZJDBUIDN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296116;MM296116;C=CCC(C)C(F)=CC=O;DFNAPXJWLRYAHN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296117;MM296117;CC(C)=C(F)CC=CC=O;WODYGIBHASDGIN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296118;MM296118;C=CC=C(F)C(C)CC=O;QOCCEOJBGWGAEP-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296119;MM296119;C=CC=CCC(F)=C(F)F;VVTWOPABAABOMY-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296120;MM296120;C=CC=C(C)C(N)CC=C;NNKNELVMPIIRGC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296121;MM296121;O=CC=CCC(F)=C(F)F;BJLUHOZTUQBQQE-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296122;MM296122;C=CCC(O)C(N)=CC=O;FRVOUQHTWUCAGD-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296123;MM296123;C=NN=CCC(C)=C(C)F;SYSBVVLUKUFKBB-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296124;MM296124;C=CC=C(F)C(O)CC=O;HAMUPLMSXKJMRW-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296125;MM296125;CC(C)=C(C)OC=CC#N;MRLATFFDXWMXQQ-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296126;MM296126;C=CC=C(F)C(O)CC#N;WEZUAWLQCKBWJL-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296127;MM296127;CC(F)=C(C)OC=CC#N;OEDCMBIMAOKAMT-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296128;MM296128;C=CC=C(C)C(F)CC=O;FSRVUIVPHVYNDZ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296129;MM296129;CC(OC=CC=O)=C(F)F;RQKXJYNDEVNOPY-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296130;MM296130;N#CC=C(F)C(F)CC#N;JDHKSURNPVHGLD-UHFFFAOYSA-N;142.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296131;MM296131;CC(OC=CC#N)=C(F)F;LCMFOBRZNJEBCY-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296132;MM296132;C=NN=COC(C)=C(C)C;RYHDBFQDYCYIRA-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296133;MM296133;C=COC(CC(N)=O)=NN;PEXLUGTWDXIAHU-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296134;MM296134;C=NN=COC(C)=C(C)F;BDLNMRYWNINBJF-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296135;MM296135;C=NN=C(C)C(O)CC#N;RMOSRDSOYRSRJH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296136;MM296136;C#CC=CCC(C)=C(C)F;GGYNRVJNKJLQSO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296137;MM296137;CC(NC=O)C(N)=CC=O;DGHLPLNIJAQHMV-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296138;MM296138;C#CC=COC(C)=C(C)C;MNYYSNODURDACN-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296139;MM296139;C=CC=C(F)C(C)NC=O;GPPITQMWCUYQFW-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296140;MM296140;C#CC=COC(C)=C(C)F;VIBYETZEBGMCCU-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296141;MM296141;C=CC=C(C)C(C)NN=C;KYXMWAPVONRBCA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296142;MM296142;C#CC=COC(C)=C(F)F;KVSYWHCZFGYGDW-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296143;MM296143;C=CC=C(F)C(C)NN=C;CYHXGLJJNQBRPQ-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296144;MM296144;CCC#CCC(C)=C(C)C;BBZVICJQLWDEQI-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296145;MM296145;C=NN=C(C)C(C)NC=N;KDWKYMKPFRXELR-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296146;MM296146;CC(C)=C(C)CC#CCN;DOCSDWFQUVMQQO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296147;MM296147;CC(C)C(=O)NC1(C)CC1;NAMYXUSPDBNWPC-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296148;MM296148;CC(C)=C(C)CC#CCO;RKRJYJLUKDWZCG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296149;MM296149;C=COC(C)C(C)=CC#N;WPZIVTLPKXGNBK-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296150;MM296150;C=CC=C(C)C(C)OC=O;XCUXTEYOOCJKJW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296151;MM296151;CC(C)=C(C)CC#CCF;YTHVCRGLPXYNGA-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296152;MM296152;C=CC=C(F)C(C)OC=C;GBMDXUYVJRMHPP-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296153;MM296153;CCC#CCC(C)=C(C)F;YKLNBHYLEMHEQR-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296154;MM296154;C=NOC(C)C(C)=CC#N;ANFQIJOYMWVSCJ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296155;MM296155;CC(F)=C(C)CC#CCN;QIPSNHANILFQOB-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296156;MM296156;CC(=CC#N)N(C)CC#N;ADZHZYLRTAEQSG-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296157;MM296157;CC(F)=C(C)CC#CCO;FFSZXKRPUAVFFS-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296158;MM296158;C=CCN(C)C(C)=NC=N;RQWSGRGYMYVKSI-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296159;MM296159;CC(F)=C(C)CC#CCF;SQYZAGOUFWVIBZ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296160;MM296160;CNN=CCN(C)C(N)=O;SEGUSIKHJLRBES-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296161;MM296161;CCC#CCC(C)=C(F)F;CEJLQEDQUYTIAG-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296162;MM296162;CC(=NC=O)N(O)CC=O;XSKMCCJFICBYTP-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296163;MM296163;CC(CC#CCN)=C(F)F;GRSOHAKFRDVTQJ-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296164;MM296164;CC(C)C(F)C(C)NC=O;XFAYKQBHEDCJIW-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296165;MM296165;CC(CC#CCO)=C(F)F;OYJFLGRDVXIOGL-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296166;MM296166;C=CCN(N)C(C)=NN=C;OEFAJQADBUVBJM-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296167;MM296167;CC(CC#CCF)=C(F)F;QTRSZYKBSQSOPY-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296168;MM296168;CC(C)C(C=NN)NC=O;UTILTGLGFMXMFI-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296169;MM296169;CCC#CCC(F)=C(C)C;IDAMPUJASHGWHX-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296170;MM296170;CN(NC=N)C(N)=CC#N;ZKGYQOAPHVKCLH-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296171;MM296171;CC(C)=C(F)CC#CCN;TYFWURYLBBRWCP-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296172;MM296172;CN(NC=O)C(N)=CC=O;MJUITUNWIKVRAZ-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296173;MM296173;CC(C)=C(F)CC#CCO;IUMBOYNQWZILPQ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296174;MM296174;CN(NC=O)C(N)=CC#N;ORELSHMMNHAGBP-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296175;MM296175;CC(C)=C(F)CC#CCF;HIHYEDHEFOELGU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296176;MM296176;C=NN=C(C)N(C)NC=N;YKFFRARSQQZUPA-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296177;MM296177;CCC#CCC(F)=C(C)F;XQYQRQWBLXFCMU-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296178;MM296178;CCN(C=O)NCC(N)=O;HFBAPXXGTYFTQA-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296179;MM296179;CC(F)=C(F)CC#CCN;HQWMURIOHWRNGT-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296180;MM296180;CC(=NC=N)N(C)OC=O;UURCKBMPTGEXCU-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296181;MM296181;CC(F)=C(F)CC#CCO;VBJGUENXGBWSGV-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296182;MM296182;CC(=NC=O)N(C)OC=O;GLYDDSZUDLZDSJ-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296183;MM296183;CCC#CCC(F)=C(F)F;LZLHMQUDONRPDD-UHFFFAOYSA-N;148.13;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296184;MM296184;C=NN=C(C)N(C)OC=O;PDEHGRIEAJANDL-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296185;MM296185;OCC#CCC(F)=C(F)F;TTZBPPADHRIEHC-UHFFFAOYSA-N;150.1;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296186;MM296186;C#CC=C(C)C(C)CC=C;YJWVAWHFVYGIAC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296187;MM296187;FCC#CCC(F)=C(F)F;PIENNNXGEOESBB-UHFFFAOYSA-N;152.09;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296188;MM296188;C#CC=C(C)C(C)NN=C;KRTCPPLDCXPYRN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296189;MM296189;C=CC#CCC(C)=C(C)C;WDHLNQIZBTXVHS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296190;MM296190;C#CC=C(C)C(C)OC=C;XLBDDXWWXJSKAR-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296191;MM296191;CC(C)=C(C)CC#CC=O;SKWHETCWNXQZNL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296192;MM296192;C#CC=C(C)C(C)ON=C;RWYVRJSUSQOEFD-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296193;MM296193;CC(C)=C(C)CC#CC#N;JJPUULAMEXACTN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296194;MM296194;C#CCC(C)C(C)=CCC;RANFPFWJRIBKNE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296195;MM296195;C=CC#CCC(C)=C(C)F;CVELVVVYRYKGPU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296196;MM296196;C#CCC(N)C(C)=CCF;PUNFPHVRMKPFNN-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296197;MM296197;CC(F)=C(C)CC#CC=O;BLSFCDXQEHKGHH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296198;MM296198;C#CCC(O)C(C)=CCN;WLVDKPQGVWNNJT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296199;MM296199;CC(F)=C(C)CC#CC#N;JQZJHZSCWZPAJX-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296200;MM296200;C#CCC(O)C(F)=CCN;KVNRNPFTEWSGGW-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296201;MM296201;C=CC#CCC(C)=C(F)F;OLLSOMPFWZIUCD-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296202;MM296202;C#CCC(F)C(C)=CCC;BIOGITQHBLXGIU-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296203;MM296203;CC(CC#CC=O)=C(F)F;XCJJVJASPARTIG-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296204;MM296204;C#CCC(C)C(C)=COC;KNHRMXYZGZPQAW-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296205;MM296205;CC(CC#CC#N)=C(F)F;LFJATWRAZBKDNZ-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296206;MM296206;C=CC(=O)NC1(CC)CC1;MBCKJZQCGCJAQJ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296207;MM296207;C=CC#CCC(F)=C(C)C;LOCURUPKRCQBCC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296208;MM296208;C#CCC(N)C(C)=NOC;VUBBDTGYEYZLRS-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296209;MM296209;CC(C)=C(F)CC#CC=O;FZZBRPJVZAYCNH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296210;MM296210;C=CCNC(=O)C(=C)C=C;VVTFBDCLEXCBED-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296211;MM296211;CC(C)=C(F)CC#CC#N;CYFHAECIHJWMGC-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296212;MM296212;C=CCNC(=O)C(C)=CN;GDYIHIAIHFXTLZ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296213;MM296213;C=CC#CCC(F)=C(C)F;AMZZYKTZOGXSNX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296214;MM296214;C#CCC(C)C(C)=CC#N;DYAUPTONLKJVNU-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296215;MM296215;CC(F)=C(F)CC#CC#N;BZAKJPPXHSCQMP-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296216;MM296216;C#CCC(C)C(N)=CC=O;GWWDURVDNHFLOT-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296217;MM296217;C=CC#CCC(F)=C(F)F;CZJWXIUNSPQECM-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296218;MM296218;C#CCC(C)C(N)=CC#N;FEXPWKVFPRNOAN-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296219;MM296219;N#CC#CCC(F)=C(F)F;IPZNBUNBBNCSIJ-UHFFFAOYSA-N;145.08;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296220;MM296220;C#CCC(C)C(F)=CC#N;QZZJWNDPGJZZKF-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296221;MM296221;C#CC#CCC(C)=C(C)C;UMMIWNCWHKKBNU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296222;MM296222;C#CCC(N)C(C)=CC=C;GZOXTSRPURBBCT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296223;MM296223;C#CC#CCC(C)=C(C)F;QKINHDBPSUGJJD-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296224;MM296224;C#CCC(O)C(C)=CC#N;DFILPMJICUDPOW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296225;MM296225;C#CC#CCC(C)=C(F)F;LHWPIRFURJZTNM-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296226;MM296226;C#CC#CCC(F)=C(C)C;MGRVCDUUBJDHIQ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296227;MM296227;C#CCC(O)C(N)=CC=O;KABQHSPUVLLDLV-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296228;MM296228;C#CC#CCC(F)=C(C)F;WSLGBMOOZCCBLP-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296229;MM296229;C#CCC(C)C(C)=NN=C;GTBKIPNLULXSNF-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296230;MM296230;C#CC#CCC(F)=C(F)F;SXRDJOJDYYLJDF-UHFFFAOYSA-N;144.1;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296231;MM296231;C#CCN(C)C(N)=CC#N;AFEJVGKWMGIKMZ-UHFFFAOYSA-N;135.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296232;MM296232;CCCC=CC(C)=C(C)C;HWMHCMIFUXHEEU-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296233;MM296233;CCOC=C(C)C(=O)NC;KYCBRSGOUBUWRO-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296234;MM296234;CC(C)=C(C)C=CCCN;IUIAZMPSQABJLM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296235;MM296235;C#CCN(O)C(C)=NC=O;AIXPUNMVBARTGU-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296236;MM296236;CCCC=CC(C)=C(C)F;VBZMBFURRFEYIV-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296237;MM296237;CON=CC#CC(=O)CF;OFUGTWZSJPJCLK-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296238;MM296238;CCCC=CC(C)=C(F)F;AXXWWKIKODSSDR-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296239;MM296239;C=C(CCC)C(C)=CCC;DLPFOSKEOYQUMF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296240;MM296240;CCCC=CC(F)=C(C)F;DZIYFFSFPLYZEW-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296241;MM296241;C=C(CCC)C(C)=CCN;VGLTUNDWWVNDEY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296242;MM296242;CNCC=CC(C)=C(C)F;QIWKNGIRURIKFU-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296243;MM296243;C=C(CCN)C(C)=CCN;JYLSLCSXOXPLPH-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296244;MM296244;CCOC=CC(C)=C(C)F;BXYBYUFCRRBBIR-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296245;MM296245;C=C(CCN)C(C)=CCO;DOXREEVNRCEFCR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296246;MM296246;CCNN=CC(F)=C(C)N;JVTSZCYHBBYLJP-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296247;MM296247;C=C(CCF)C(C)=CCN;RCPSEPWTQNIEPQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296248;MM296248;CCNN=CC(F)=C(C)F;BCIUPDWICZNQBU-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296249;MM296249;C=C(CCF)C(C)=CCO;NCNJVHUEEDLPTK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296250;MM296250;CCNN=CC(F)=C(F)F;GQJDDQCONPLHOA-UHFFFAOYSA-N;152.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296251;MM296251;C=C(CCN)C(F)=CCC;RNPJCMIDLZQPEM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296252;MM296252;CCON=CC(C)=C(C)C;OWWLUXZQAZBASL-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296253;MM296253;C=C(CCN)C(F)=CCN;IYWPARVPOWRGTI-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296254;MM296254;CCON=CC(C)=C(F)F;AFQSDRMZXAPNKM-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296255;MM296255;C=C(CCN)C(F)=CCO;RAUDQDDXMCQOGC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296256;MM296256;CCON=CC(F)=C(C)C;JDEGBPALFTVIJN-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296257;MM296257;C=C(CCO)C(F)=CCN;GQRJUQKAVLVRNS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296258;MM296258;CCON=CC(F)=C(C)N;JGMURCRJGOYFEP-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296259;MM296259;C=C(CCF)C(F)=CCN;KCVIGMUDQBEOHI-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296260;MM296260;CCON=CC(F)=C(C)F;VXSBEBMMYUWYPV-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296261;MM296261;CC(=CCF)C(=O)CCO;XPUVAYGXYWOLAL-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296262;MM296262;C=CCC=CC(C)=C(C)C;ZYXGKNDROOUBRT-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296263;MM296263;CC(=CCO)C(=O)CCF;ZMANQJPMTTWRBB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296264;MM296264;CC(C)=C(C)C=CCC#N;PBJBUJYBQXYEGS-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296265;MM296265;CC(=CCF)C(=O)CCF;RHPVWMOEHVDADK-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296266;MM296266;CC(F)=C(C)C=CCC=O;MHYAZZQPMTUSEU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296267;MM296267;O=C(CCO)C(F)=CCO;NQAFRTGOIWBKPO-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296268;MM296268;CC(F)=C(C)C=CCC#N;LKWIJBZPOSWHBV-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296269;MM296269;C=C(CNC)C(C)=CCF;CBIVFWVNPSRZAS-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296270;MM296270;C=CCC=CC(C)=C(F)F;JTTSSQDLTZGWHI-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296271;MM296271;C=C(COC)C(C)=CCO;BDPJTMYXHZJIMU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296272;MM296272;CC(C=CCC#N)=C(F)F;MBKKGCOLBCJNLK-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296273;MM296273;COC=C(F)C(=O)COC;DOIAACDQUIJOGI-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296274;MM296274;CC(C)=C(F)C=CCC#N;LMBHINYXYQZAFS-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296275;MM296275;C=C(CCC)C(C)=NNC;WQRWSAUVHMTFRB-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296276;MM296276;N#CCC=CC(F)=C(F)F;QGDBTKMKXOLWLD-UHFFFAOYSA-N;147.1;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296277;MM296277;CCNC(=O)C(C)=CCN;SIGKZNKGASCNJM-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296278;MM296278;CC(C)=C(C)C=CNC=N;RLHIKVHWIDCYLT-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296279;MM296279;CNN(CC=O)C(=O)C#N;VJPWTFHISAQEAS-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296280;MM296280;CC(F)=C(C)C=CNC=N;NSSPOPLRZYZTLM-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296281;MM296281;CCNC(=O)C(F)=CCO;JCKPFFDHHFYJFE-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296282;MM296282;C=CCC(C)NC(=O)C=C;DYVPWKFOQAPDOH-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296283;MM296283;CCC(NC=O)C(C)=NN;LKPYWIKQVKBZRD-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296284;MM296284;CCC(C=CF)CC(N)=O;FOGIHEYNLYHVFV-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296285;MM296285;CNNC(=O)C(C)=CCN;ZKZXNERFPNZOAI-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296286;MM296286;CC(C=NNC=O)=C(F)F;JLXGNTLBDLTGND-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296287;MM296287;C#CC=C(CC)CNC=O;RIBORPYQIAJVJR-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296288;MM296288;CC(C)=C(F)C=NNC=O;VTAQSIMQRGIMDQ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296289;MM296289;CNNC(=O)C(F)=CCO;WCKYTPUMHUXBMF-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296290;MM296290;CC(=N)C(F)=CNNC=N;LGTFPRGUBMJUJV-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296291;MM296291;CCON=C(CF)CC=O;ALXXDGLYCOQELY-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296292;MM296292;CC(C=NOC=O)=C(N)N;YDLBQZOZUWRHRN-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296293;MM296293;O=C(O)CC(O)CF;YLPLQDVHXXIUMW-UHFFFAOYSA-N;122.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296294;MM296294;CC(F)=C(F)C=NOC=O;WBMXLUFAZSDTLX-UHFFFAOYSA-N;149.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296295;MM296295;CNC=C(C)C(=O)NOC;RKWAMTZWVKQMQO-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296296;MM296296;O=CON=CC(F)=C(F)F;SNMGIMXREIVFEQ-UHFFFAOYSA-N;153.06;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296297;MM296297;CCNC(=N)C(C)=NNC;ROTYPGLEBVQAQF-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296298;MM296298;C#CCC=CC(C)=C(C)C;AUZUKVHYUHRXKT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296299;MM296299;C#CC(CC=O)=NOC=O;CYVVZHMROIDFAX-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296300;MM296300;C#CCC=CC(C)=C(F)F;GHYSEIOTLPDLIJ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296301;MM296301;C#CCC=CC(F)=C(F)F;PUEUURUVYQJKLV-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296302;MM296302;C#CC(C#N)NN=CCC;UYHFXBYFAJWSJD-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296303;MM296303;CC=CC=CC(C)=C(C)C;KNANDNAVELUZFF-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296304;MM296304;CCC(=CF)CCNC=O;VVMQPGGTQHIDDM-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296305;MM296305;CC=CC=CC(C)=C(C)F;CZUSTVHPYQZTCM-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296306;MM296306;O=C(O)CC(F)(CO)CO;XQLAYQBAXPDKFX-UHFFFAOYSA-N;152.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296307;MM296307;CC(F)=C(C)C=CC=CF;AFYLKZWWLLCJSA-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296308;MM296308;C=C(OCC)C(F)=CCC;HKUNBWFRVAQCQZ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296309;MM296309;CC=CC=CC(C)=C(F)F;URVFLJOFYURBHQ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296310;MM296310;CCC=C(C)C(=O)OCC;HYQYCHQAUPHFKX-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296311;MM296311;CC=CC=CC(F)=C(C)F;ZZDUMWQMYHVVRX-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296312;MM296312;CCOC(=O)C(C)=COC;IFPLIOCMNUUFHO-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296313;MM296313;CC(F)=C(C)C=CC=NO;UBEICYBESSDASD-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296314;MM296314;C=CC=C(C)C(=C)CCC;RQJIZOGPMWONFR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296315;MM296315;CC=NN=CC(C)=C(C)N;NXJDYCHZUMBULP-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296316;MM296316;C=C(CCC)C(C)=CC=O;WVPBBXCYESZOKB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296317;MM296317;CC=NN=CC(C)=C(C)F;VOYVJFHZRACHLZ-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296318;MM296318;C=C(CCC)C(C)=CC#N;VPPYRLYZKJWQSX-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296319;MM296319;CC=NN=CC(C)=C(N)N;MLCJIHWBTKHYCE-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296320;MM296320;C=CC=C(C)C(=C)CCN;OWAYVNXSJBLDDD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296321;MM296321;CC=NN=CC(C)=C(F)F;RWMDJYAAMYBZNQ-UHFFFAOYSA-N;146.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296322;MM296322;C=C(CCF)C(C)=CC=O;UKJCSVANOBSJST-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296323;MM296323;CC=NN=CC(F)=C(C)C;CTMJPWLRNKETPN-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296324;MM296324;C=C(CCC)C(N)=CC#N;ZOPQLMDJOQMENC-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296325;MM296325;CC=NN=CC(F)=C(C)N;XEIXEELURUZPSH-UHFFFAOYSA-N;143.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296326;MM296326;C=CC=C(F)C(=C)CCN;XCPJMWQYVIMSJX-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296327;MM296327;CC=NN=CC(F)=C(N)N;ZMMDIAZYRXBHGA-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296328;MM296328;C=CC=C(C)C(=O)CCC;URKCFOJMLMSGHI-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296329;MM296329;CC#CC=CC(C)=C(C)C;PHMPBEVTWVKUJK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296330;MM296330;CCCC(=O)C(C)=CC#N;IRIZTJYVIIVTPP-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296331;MM296331;CC#CC=CC(C)=C(C)F;TZBRBMFVCIHIRA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296332;MM296332;C=CC=C(C)C(=O)CCF;GVJIHJVJYYIZSG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296333;MM296333;CC#CC=CC(C)=C(F)F;DBPAXWYBWYVENX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296334;MM296334;C=CC=C(F)C(=O)CCC;QRUUYBCJMMWBLQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296335;MM296335;CCCC#CC(C)=C(C)C;ASOUDCWDSULCJF-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296336;MM296336;C=CC=C(C)C(=C)CNC;IODLWRWRYNOACZ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296337;MM296337;CCCC#CC(C)=C(C)F;SYAHJVGZAFTFHU-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296338;MM296338;CNCC(=O)C(C)=CC#N;LWRGNZYHHURWMI-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296339;MM296339;CCCC#CC(C)=C(F)F;BSVRIRNOERDTTK-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296340;MM296340;C=C(COC)C(C)=CC#N;GIULAIRENSKVBU-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296341;MM296341;CC(C#CCCO)=C(F)F;PTLKILSDHSTNRK-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296342;MM296342;C=NN=C(C)C(=C)CCN;HZXHUWJIOZXNQM-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296343;MM296343;CCCC#CC(F)=C(C)C;ZRQVQZNTLJLUSO-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296344;MM296344;C=NN=C(C)C(=C)CCF;KMKZYNILXZHOSZ-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296345;MM296345;CCCC#CC(F)=C(C)F;MNLUCUBAEABKNF-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296346;MM296346;C=NN=C(C)C(=O)CCC;LPCCMSWLLOBJEF-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296347;MM296347;CC(F)=C(F)C#CCCN;XDFMYLNHSHJTLL-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296348;MM296348;C=NN=C(C)C(=O)CCO;IBFSJZZUGJJRCB-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296349;MM296349;CC(F)=C(F)C#CCCO;VRZDYNAPEDVKDY-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296350;MM296350;C#CC(=CCNC=O)CC;GELDMLPELWCCNJ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296351;MM296351;CCCC#CC(F)=C(F)F;XPIZSMBCKVHPNZ-UHFFFAOYSA-N;148.13;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296352;MM296352;CCN=C(N)C(C)=CC=O;XZLLNQAWUWSYQH-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296353;MM296353;CNCC#CC(C)=C(C)C;SCWOXJIWGKDXPT-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296354;MM296354;CCN=C(N)C(N)=CC=O;DTYGWJARQLWGLG-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296355;MM296355;CNCC#CC(C)=C(C)F;RUSDFIXKRKNLBX-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296356;MM296356;CNN=C(N)C(N)=CC=O;DSNWQRXWZBJGSG-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296357;MM296357;CNCC#CC(C)=C(F)F;GDHBWJDBETXXDB-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296358;MM296358;CNNC(=O)C(F)=CC=O;GKKVSYAYCFDLFY-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296359;MM296359;CNCC#CC(F)=C(C)C;JPGWTCLWRAVJCH-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296360;MM296360;CON=C(N)C(C)=CC=O;NFIJPZFKPJOKBF-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296361;MM296361;COCC#CC(C)=C(F)F;IFCBYZZHMINUEA-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296362;MM296362;CONC(=N)C(C)=CC#N;RZUFJLKHRFBISF-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296363;MM296363;COCC#CC(F)=C(C)C;NNTGHHKQTLFKQA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296364;MM296364;C=NN=C(C)C(=N)NCC;RJJFCJKLVIPGML-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296365;MM296365;COCC#CC(F)=C(C)F;FOCCFTZCSDJHJC-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296366;MM296366;CNc1cc(C(C)C)[nH]n1;UKIBLLJCNXFDLN-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296367;MM296367;COCC#CC(F)=C(F)F;SRVFIZGXBGWSCD-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296368;MM296368;C=C(OCC)C(N)=CC=O;OCLXFGKYBQRONL-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296369;MM296369;C=CCC#CC(C)=C(C)C;JBQGKPMMYUSGGD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296370;MM296370;C=C(OCC)C(N)=CC#N;QZSJRPHRYUXBRZ-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296371;MM296371;CC(C)=C(C)C#CCC=O;WTIBQXPRVUIPKU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296372;MM296372;C=CC=C(C)C(=O)OCC;RAGCEPJTMUOFDX-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296373;MM296373;CC(C)=C(C)C#CCC#N;JYXXELASOGEIAU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296374;MM296374;CCOC(=O)C(C)=CC=O;SHPFIKDJWFHYJR-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296375;MM296375;CCOC(=O)C(C)=CC#N;YXZOQLJDKUWLSU-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296376;MM296376;C=CCC#CC(C)=C(C)F;UCLFWEXSIDEEMG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296377;MM296377;C#CC=C(C)C(=C)CCC;INSSUQMPTGOURE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296378;MM296378;C=CCC#CC(C)=C(F)F;LTGQUOGFIQEZGD-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296379;MM296379;Nc1cc(F)c[nH]1;XWKHTGCASMVDJP-UHFFFAOYSA-N;100.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296380;MM296380;CC(C#CCC=O)=C(F)F;STBHMWWHEJYSGG-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296381;MM296381;C#CC=C(F)C(=C)CCC;DWSHYAQDLDYTKS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296382;MM296382;CC(C#CCC#N)=C(F)F;OKGLHSTZMJTCFF-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296383;MM296383;C#CC=C(F)C(=C)CCN;QKVKBZMWHMYJRF-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296384;MM296384;C=CCC#CC(F)=C(C)C;VNPNOIDKBQIUFY-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296385;MM296385;C#CC=C(C)C(=O)CCC;QUCSJPRPDFOUPL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296386;MM296386;CC(C)=C(F)C#CCC=O;FPAMDSVDNILAFA-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296387;MM296387;C#CC=C(F)C(=O)CCO;JMSMHZZVAUOYJV-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296388;MM296388;CC(C)=C(F)C#CCC#N;YELJGGHFVNOBAO-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296389;MM296389;C#CC=C(C)C(=C)CNC;NEVYXDMZNBPJHQ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296390;MM296390;C=CCC#CC(F)=C(C)F;UQGHQUXQFBOHPW-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296391;MM296391;C#CC=C(C)C(=C)COC;BVCLRMFEHQJVCJ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296392;MM296392;CC(F)=C(F)C#CCC=O;KBDNLBJMROTCMR-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296393;MM296393;C#CC=C(F)C(=O)COC;QZNGRHHBSQDWRU-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296394;MM296394;CC(F)=C(F)C#CCC#N;MJXZXYANMJETRH-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296395;MM296395;C#CC=C(C)C(=N)NCC;LEAGWKUFHVUXJT-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296396;MM296396;C=CCC#CC(F)=C(F)F;PPQLPIZNZLUPDP-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296397;MM296397;C#CC=C(C)C(=N)NOC;BIYMLMRQHQDNLY-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296398;MM296398;N#CCC#CC(F)=C(F)F;LAEUPIBLAKPPDS-UHFFFAOYSA-N;145.08;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296399;MM296399;O=CC(C=CC(=O)O)CO;YPOKSPVNOJQPEW-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296400;MM296400;C#CCC#CC(C)=C(C)C;OBGZPDWXOIMLMV-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296401;MM296401;C#CC=C(C)C(=O)OCC;GNTNWQISZABCHU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296402;MM296402;C#CCC#CC(C)=C(C)F;OOEHFUDBDOFXRS-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296403;MM296403;C#CC=C(F)C(=O)OCC;GPKZPNSZKMGNIS-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296404;MM296404;C#CCC#CC(C)=C(F)F;PQWHHMLFQRVBET-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296405;MM296405;C=CCC(=C)C(C)=CCN;LYBBDTBJWIILOA-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296406;MM296406;C#CCC#CC(F)=C(C)C;PHJCHUPKSXHGJC-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296407;MM296407;C=C(CC#N)C(C)=CCC;OOGDLANQOUAPOM-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296408;MM296408;C#CCC#CC(F)=C(C)F;WURWQILGLWCBKD-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296409;MM296409;C=C(CC=O)C(C)=CCO;SDXGNFMPTWFLLY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296410;MM296410;C#CCC#CC(F)=C(F)F;BKPAWIFOKTUVLK-UHFFFAOYSA-N;144.1;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296411;MM296411;C=C(CC=O)C(C)=CCF;YQLHIIDQVFEJPD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296412;MM296412;CC=CC#CC(C)=C(C)C;YDLDELCOQUGOMT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296413;MM296413;C=C(CC=O)C(F)=CCC;PUKRALGORSVHGU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296414;MM296414;CC=CC#CC(C)=C(C)F;YXNPZOCHTXXGAJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296415;MM296415;C=C(CC=O)C(F)=CCF;WNXZSASFRZXPKT-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296416;MM296416;CC=CC#CC(C)=C(F)F;KGPGEWGOWRTLKW-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296417;MM296417;C=CCC(=O)C(C)=CCF;JZDSETRFRHGIDW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296418;MM296418;CC=CC#CC(F)=C(C)C;RRGSNSLZYSCPSI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296419;MM296419;C=CCC(=O)C(F)=CCC;LGTJOEZMKQFGQQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296420;MM296420;CC=CC#CC(F)=C(C)F;GTJCKRJDTYMJQI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296421;MM296421;C=CCC(=O)C(F)=CCF;LCZJBIXMTPYYKN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296422;MM296422;CC=CC#CC(F)=C(F)F;JMTPZLCZYRHARX-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296423;MM296423;N#CCC(=O)C(F)=CCO;VZGRCWJETLEROE-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296424;MM296424;C=CCC(=O)C(C)=CNC;HVHFDRAXQFSUKH-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296425;MM296425;CC(C)=C(C)C#CC=NN;MSXDFLAFNDEYGU-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296426;MM296426;CNC=C(C)C(=O)CC=O;HLSBCEDIVRTVGL-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296427;MM296427;CC(C)=C(C)C#CC=NO;WQWYOCODJDUFLH-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296428;MM296428;CNC=C(C)C(=O)CC#N;QLQDGBGQTZPTEX-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296429;MM296429;CC(F)=C(C)C#CC=NN;WPBIIGUCSWFKGJ-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296430;MM296430;C=CCC(=O)C(F)=CNC;GHJKWRGMSSRHEO-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296431;MM296431;CC(C#CC=NN)=C(F)F;NLJZPDNOIRKPEV-UHFFFAOYSA-N;144.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296432;MM296432;C=NOCCC(N)=O;JYGNJEJUKOUHOV-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296433;MM296433;CC(C#CC=NO)=C(F)F;SBTUWMNMCYTCTL-UHFFFAOYSA-N;145.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296434;MM296434;C=C(CC#N)C(C)=NNC;RTLOODCRMRLHFY-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296435;MM296435;CC(C)=C(F)C#CC=NN;YKAKRWZXDWNMRC-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296436;MM296436;CC1(C#N)NC1CC=O;OGCOGCOXJSZPIM-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296437;MM296437;CC(F)=C(F)C#CC=NN;LMNHDTJFEIISII-UHFFFAOYSA-N;144.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296438;MM296438;C=NOC(C#N)C#CC;ULNQBULAXFRYGM-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296439;MM296439;NN=CC#CC(F)=C(F)F;JXNQLYSUUUXENS-UHFFFAOYSA-N;148.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296440;MM296440;C=C(CC#N)C(C)=NOC;NDUNIKHSVRZFKQ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296441;MM296441;CC#CC#CC(C)=C(C)C;WSQVZCRYYMNQGG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296442;MM296442;C=COC=CCNC=O;XOGJYGNJSZAGOV-UHFFFAOYSA-N;127.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296443;MM296443;CC#CC#CC(C)=C(C)F;IUFXLUZOZLMFNQ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296444;MM296444;C=C(NC=N)C(C)=CCF;FQNPNVNLKZXIKK-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296445;MM296445;CC#CC#CC(C)=C(F)F;UCOQYIOICXNVRH-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296446;MM296446;C=C(NC=O)C(C)=CCN;MDBAYHZLSFZKTI-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296447;MM296447;CC#CC#CC(F)=C(C)C;MQBFQVCICXTFAY-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296448;MM296448;C=C(NC=O)C(C)=CCF;BTGSTQMEZYGSQK-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296449;MM296449;CC#CC#CC(F)=C(C)F;LJIMAOYZURTVAS-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296450;MM296450;C=C(NC=O)C(F)=CCN;PATIOTKHXCSWJH-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296451;MM296451;CC#CC#CC(F)=C(F)F;IIWJFIVPCAVFLF-UHFFFAOYSA-N;144.1;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296452;MM296452;C=CNC(=N)C(C)=CCC;YRFKNQVJJYSAQZ-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296453;MM296453;CCCC(C)C(C)C(C)N;IICSOTCGLIEUHE-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296454;MM296454;C=CNC(=N)C(C)=CCN;JULABSNTNXKLHO-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296455;MM296455;CC(N)C(C)C(C)CCO;QERMVUFERKOJMR-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296456;MM296456;CC(=CCN)C(=N)NC=N;RWWYECUGTHKGEZ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296457;MM296457;CC(N)C(C)C(C)CCF;NZKDTVFKXBGQSR-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296458;MM296458;CC(=CCN)C(=N)NC=O;UUWMEBSQFPKGRL-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296459;MM296459;CC(F)C(C)C(C)CCN;FLHGITVYWALXOS-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296460;MM296460;CCC=C(F)C(=N)NC=O;PSDJBDMGDYTIRW-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296461;MM296461;CC(CCN)C(C)C(F)F;WOMYXLLPXILQCO-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296462;MM296462;N=C(NC=O)C(F)=CCF;OHSOFMTWTNTZSK-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296463;MM296463;CCCC(N)C(C)C(C)C;RYXVQPOQRDUFFU-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296464;MM296464;CC(=CCN)C(=O)NC=N;FTRSGFABLTZFSN-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296465;MM296465;CC(C)C(C)C(N)CCF;DNLYWAZKLBQNFL-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296466;MM296466;CC(=CCO)C(=O)NC=O;KSUKNXQXYVCCHQ-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296467;MM296467;CCCC(N)C(C)C(C)N;SVYKRBOAEXCPMJ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296468;MM296468;CC(=CCF)C(=O)NC=O;QPKIFJDVYOWMJN-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296469;MM296469;CCCC(N)C(C)C(C)F;VMIVKVLKILPMFL-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296470;MM296470;CCC=C(F)C(=O)NC=N;CDBFFEWIDPRSLW-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296471;MM296471;N=CNC(=O)C(F)=CCO;XYCBEQQUODMYJS-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296472;MM296472;CC(C(F)F)C(N)CCF;SIOVSMPNRQVTDP-UHFFFAOYSA-N;155.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296473;MM296473;C#CC1CC1CNC=O;DEZBPCCAIJJXQK-UHFFFAOYSA-N;123.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296474;MM296474;CC(N)C(C)C(O)CCO;ULSHCXXZTXNJPF-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296475;MM296475;C=CNC(=O)C(F)=CNC;NFAOWUHHIPFDRV-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296476;MM296476;CC(O)C(C)C(O)CCF;PNCDWHRZVUGTDA-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296477;MM296477;C=C(NC=N)C(C)=COC;RSXMZIPYOBQDCN-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296478;MM296478;CC(F)C(C)C(O)CCN;KTUFNHWCXCQUGH-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296479;MM296479;C=C(NC=O)C(C)=COC;WHQPLUCTDGVKLN-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296480;MM296480;CC(F)C(C)C(O)CCF;UOAOZGOQPRXHFZ-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296481;MM296481;C=CNC(=N)C(C)=COC;GHLAQSMGBLAPGH-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296482;MM296482;CC(C(F)F)C(O)CCN;LRPUGIIPDVGBQO-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296483;MM296483;COC=C(C)C(=N)NC=N;ZWBZIEFPRHXVOU-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296484;MM296484;CC(C)C(C)C(F)CCO;DVILQKZRPLIEHD-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296485;MM296485;OCCC#CCN1CC1;ALJVMRLHWREGJT-UHFFFAOYSA-N;125.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296486;MM296486;CC(O)C(C)C(F)CCN;FBFACZNNPXYNME-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296487;MM296487;CC(F)C(C)C(F)CCN;POWBRLKZFKNHLL-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296488;MM296488;C=CNC(=O)C(C)=COC;JKKNPEGKPHWLHY-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296489;MM296489;CC(F)C(C)C(F)CCO;BYQUAZKVUHBKJR-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296490;MM296490;C=C(C(=O)NC)C1CN1;BMKLRKVVSHTZES-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296491;MM296491;CC(C)C(N)C(C)CCF;LFVDSRLRKPWFDM-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296492;MM296492;COC=C(C)C(=O)NC=O;WBOHFPCQTITMLX-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296493;MM296493;CCCC(C)C(N)C(C)N;ZKCWLUPCWHUEDG-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296494;MM296494;C=NNC(=N)C(C)=CCN;ABBMTIZWLGTQMV-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296495;MM296495;CC(N)C(N)C(C)CCF;ZEKKWETXQZDXGU-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296496;MM296496;CC(F)CC(C)(C)NC=O;MOADALZEWRHKBS-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296497;MM296497;CC(F)C(N)C(C)CCF;HAASOAMLKNRWQG-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296498;MM296498;CC(CF)C(C)(C)NC=O;FEJNAOHQQCECLV-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296499;MM296499;CCCC(N)C(N)C(C)C;HABBETXIBXDSQK-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296500;MM296500;C=CCC(C)(F)CNC=O;UWEYGUXVLQUHHW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296501;MM296501;CC(C)C(N)C(N)CCF;ROHOTVXWIIAPAY-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296502;MM296502;C=CNC(=N)C(C)=NNC;PSCSMEDPVUBHES-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296503;MM296503;CC(O)C(N)C(O)CCO;PBZUBCQRHIHXFO-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296504;MM296504;CNN=C(C)C(=N)NC=O;GASWABYNAYHJFP-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296505;MM296505;CCCC(F)C(N)C(C)C;OLXJHDNGHCUVFM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296506;MM296506;CC(C)=CC(F)CNC=O;INGNZTSMEHKRBU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296507;MM296507;CC(C)C(N)C(F)CCF;RZTBYWYTKPPJQB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296508;MM296508;CC(=CC(N)=O)COC=O;LXUVFHXDEHZUOS-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296509;MM296509;CCCC(F)C(N)C(C)N;NOCUASWPELKRGE-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296510;MM296510;CC(=CC(N)=O)OC=NN;QQDNKEJHLSBWLS-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296511;MM296511;CC(O)C(N)C(F)CCF;BOBMYMHMWACZDE-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296512;MM296512;CON=C(C)C(=N)NC=O;DKBMXPZHFPEDGV-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296513;MM296513;CCCC(C)C(O)C(C)N;LMUKAWILMDGDIG-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296514;MM296514;C=CNC(=O)C(C)=NOC;OKEIGRVGZTZLNL-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296515;MM296515;CC(O)C(O)C(N)CCO;JDSNRHGMASUEOR-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296516;MM296516;CON=C(C)C(=O)NC=N;YIQSYZDNPGKXPB-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296517;MM296517;NC(CCO)C(O)C(F)F;OZSFNUKVNVGKQH-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296518;MM296518;CON=C(C)C(=O)NC=O;GWBRCWDUBHPEKJ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296519;MM296519;CC(C)C(O)C(O)CCN;GYZSQYZKKAVTIU-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296520;MM296520;C=C(OC=O)C(C)=CCN;GVQKOVGRRDWAPM-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296521;MM296521;CCCC(O)C(O)C(C)N;MRMLEXIGFJIPFF-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296522;MM296522;C=COC(=C)C(F)=CCN;XFAVKBRIGAFIEH-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296523;MM296523;CC(N)C(O)C(O)CCO;ATYNYFFXUVOVIP-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296524;MM296524;C=COC(=C)C(F)=CCO;ADKQCJWCCRUPMZ-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296525;MM296525;CC(O)C(O)C(O)CCN;CXNVOWKSJYGZHI-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296526;MM296526;C=COC(=O)C(C)=CCN;ZJZOSJNMCVHQAK-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296527;MM296527;NCCC(O)C(O)C(F)F;RBXPDKYAYNERCH-UHFFFAOYSA-N;155.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296528;MM296528;C=COC(=O)C(C)=CNC;LLHDRAABMGRXCX-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296529;MM296529;CC(O)C(O)C(F)CCO;QJLRHBDMJFBEHZ-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296530;MM296530;C=COC(=C)C(F)=COC;JVXYOSISJLFOKE-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296531;MM296531;CC(N)C(F)C(C)CCN;VNUAEYIBLLGFSG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296532;MM296532;C=COC(=O)C(C)=COC;XIXOISVYAIBUAK-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296533;MM296533;CC(N)C(F)C(C)CCF;RPBRYKRZVOYSIH-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296534;MM296534;C=NOC(=O)C(C)=CCC;AXIBKTWYRUPARG-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296535;MM296535;CC(C)C(F)C(N)CCF;MFSYDXIEQCXQAB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296536;MM296536;C=NOC(=O)C(F)=CCN;MOTAOBPTTOHOGW-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296537;MM296537;CC(F)C(F)C(N)CCN;AHLMBUJZMVUMLC-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296538;MM296538;C=NOC(=O)C(C)=COC;QAMSPAJZFJZZLA-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296539;MM296539;CC(C)C(F)C(O)CCO;AXQUNEJNCPGSJH-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296540;MM296540;C=CC=C(C)C(=C)CC=C;PSPDREAQTBGQAT-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296541;MM296541;CC(O)C(F)C(O)CCO;ZRMQDUGHCLPTGX-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296542;MM296542;C=C(CC=O)C(C)=CC#N;LDBSZCRHCBWDAH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296543;MM296543;CC(C)C(F)C(F)CCN;XYOJJHPVVPBDSP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296544;MM296544;C=C(CC#N)C(C)=CC#N;QVGVLYWFXYDTAY-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296545;MM296545;CNCC(O)C(C)C(C)N;GXJFTGJDHMKUGK-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296546;MM296546;C=CCC(=C)C(N)=CC=O;ITCKERDQSJOVRF-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296547;MM296547;CNCC(F)C(C)C(C)F;YCEYOMWITABMBR-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296548;MM296548;CC(CC=CC=O)NC=O;ZGDSHYKIQQTKKM-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296549;MM296549;CNCC(C)C(N)C(C)F;SLTLUAZPBWFHEF-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296550;MM296550;C=C(CC#N)C(N)=CC#N;SATDVELURHTHCN-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296551;MM296551;CNCC(O)C(N)C(C)N;HKUWECUPOYWFEZ-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296552;MM296552;C=CCC(=C)C(F)=CC#N;IMLIFOCKTFHETI-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296553;MM296553;C=C(CC#N)C(F)=CC#N;KAWZZDYUFARJIY-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296554;MM296554;CNCC(C)C(O)C(F)F;ZANTUXOBBHKDAB-UHFFFAOYSA-N;153.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296555;MM296555;C=CC=C(C)C(=O)CC=C;AOHPURKDGSBQDQ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296556;MM296556;CNCC(N)C(O)C(C)O;YOHXFZWBRICDBP-UHFFFAOYSA-N;148.21;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296557;MM296557;CNCC(N)C(O)C(F)F;BLCQWRVARAGPEY-UHFFFAOYSA-N;154.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296558;MM296558;C=CCC(=O)C(C)=CC#N;SLLQQBPFXSJMDN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296559;MM296559;CNCC(O)C(O)C(C)C;KCKUGTBPMYBZPS-UHFFFAOYSA-N;147.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296560;MM296560;C=CC=C(C)C(=O)CC=O;GSTUSYZABJVCSZ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296561;MM296561;CNCC(O)C(O)C(C)N;BJNFCSDIOWQPRH-UHFFFAOYSA-N;148.21;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296562;MM296562;CC(=CC=O)C(=O)CC#N;FLPKXSRBHPJTID-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296563;MM296563;CNCC(O)C(O)C(C)O;ICXOLQAJBRHWLI-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296564;MM296564;C=CCC(=O)C(F)=CC#N;LOJMCDKCPRZERE-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296565;MM296565;CNCC(O)C(O)C(F)F;AWQPIFCSSYCQMJ-UHFFFAOYSA-N;155.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296566;MM296566;N#CCC(=O)C(F)=CC=O;NWOPHPUTHWQJIP-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296567;MM296567;CNCC(C)C(F)C(C)C;ZQFUDIMKKOBOTL-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296568;MM296568;N#CC=C(F)C(=O)CC#N;WHYNTJNJEYUUPP-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296569;MM296569;CNCC(F)C(F)C(C)C;LOPAMSFRNITYQD-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296570;MM296570;C=C(F)C(C)CCNC=O;SVIVZZMJUFIDNI-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296571;MM296571;C=CCC(=O)C(C)=NN=C;MNYRWCWVPHNPNY-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296572;MM296572;COCC(C)C(C)C(C)C;KXSCDZLKINONBS-UHFFFAOYSA-N;144.26;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296573;MM296573;C=NN=C(C)C(=O)CC#N;VSNNYOWSIOAPGH-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296574;MM296574;COCC(N)C(C)C(C)O;JVTLQKSIYONWEK-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296575;MM296575;C=CC=C(C)C(=C)NC=N;KSAYXQMCCROHCA-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296576;MM296576;COCC(N)C(C)C(F)F;WOGSGCTYJHMUOA-UHFFFAOYSA-N;153.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296577;MM296577;C=C(C=NN=CC)C(N)=O;IKGRTJANEAFJDX-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296578;MM296578;COCC(O)C(C)C(C)N;PGXGMGUSYIJCFE-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296579;MM296579;C=C(NC=N)C(F)=CC#N;MIHJNGCCPCZGCV-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296580;MM296580;COCC(O)C(C)C(C)O;YFHHOKFTTWHNHX-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296581;MM296581;N=CNC(=N)C(N)=CC=O;MAICKEKRLYXQLA-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296582;MM296582;COCC(C)C(N)C(C)C;VPSFHEGUSZERSI-UHFFFAOYSA-N;145.25;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296583;MM296583;C=CCC(CCF)NC=O;DBYVFHPTXFGWGE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296584;MM296584;COCC(O)C(N)C(C)C;CXZSEVJZYQAWDB-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296585;MM296585;NC(=CC=O)C(=O)NC=O;JNYSTDCRDOGSCC-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296586;MM296586;COCC(O)C(N)C(C)N;QFVDUGDXNXFPNJ-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296587;MM296587;C=CNC(=O)C(F)=CC#N;XRAZSOWDEVDULD-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296588;MM296588;COCC(N)C(O)C(C)C;ZGTGHRTXZHDBKS-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296589;MM296589;N=CNC(=O)C(F)=CC=O;VDUSYZRDFJGGRY-UHFFFAOYSA-N;144.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296590;MM296590;COCC(O)C(O)C(C)C;GZFYESQIBBVCHG-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296591;MM296591;C=NNC(=O)C(F)=CC=O;MEIBZSVZVRQYLL-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296592;MM296592;COCC(O)C(O)C(C)N;IAPWATARWXZFBV-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296593;MM296593;C=NN=C(C)C(=C)NC=O;ZIGISQADBWUBQA-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296594;MM296594;COCC(O)C(O)C(C)O;XRNVOOAAWLYRMJ-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296595;MM296595;C=CNC(=O)C(C)=NN=C;ZERSQMPFJMOVCX-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296596;MM296596;COCC(O)C(O)C(F)F;UOSOQEKOCDXYEE-UHFFFAOYSA-N;156.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296597;MM296597;C=COC(=C)C(N)=CC=O;JVVXXXNQMHJKKH-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296598;MM296598;COCC(F)C(O)C(C)O;GGVBJPRFJCUQMT-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296599;MM296599;C=COC(=C)C(N)=CC#N;LRZUDVNYXGEXDN-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296600;MM296600;CCNC(C)C(C)C(C)C;OJSIQRQRRYSSPE-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296601;MM296601;C=COC(=C)C(F)=CC#N;LZXKXYZDDRIJER-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296602;MM296602;CCNC(C)C(C)C(C)N;FJMFMRSJCYAETH-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296603;MM296603;C=COC(=O)C(C)=CC=O;BAMJTVNROCAFAO-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296604;MM296604;CCNC(C)C(C)C(C)F;KKDLFOYEKQIDEX-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296605;MM296605;C=CC=C(F)C(=O)OC=C;CEOFXVCKWIAZKL-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296606;MM296606;CCNC(C)C(N)C(F)F;AZACGYYOOBMNHP-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296607;MM296607;C=COC(=O)C(F)=CC#N;RDJQNTBDUZCSGK-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296608;MM296608;CCNC(C)C(O)C(C)C;GFCKMXNONDDASN-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296609;MM296609;CC(C)=C(C=CF)C(N)=O;USESIHVUZMMOCY-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296610;MM296610;CCNC(C)C(F)C(C)C;CPMMLKWQLNSDOK-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296611;MM296611;C=NN=C(C)C(=C)OC=O;UVSAZCBDTQJUIB-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296612;MM296612;CCOC(C)C(C)C(C)C;GUTUQGSXPGAQBY-UHFFFAOYSA-N;144.26;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296613;MM296613;C=NN=C(C)C(=O)ON=C;QMUIJDLFVYMCDQ-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296614;MM296614;CCOC(C)C(N)C(C)C;DMVRKRQVSQWBCR-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296615;MM296615;C#CC=C(C)C(=C)CC=C;JYOBHTVTCHZOPG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296616;MM296616;CCOC(C)C(N)C(C)F;FSZYQLCFDSXQAB-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296617;MM296617;C#CC=C(C)C(=C)CC=O;SQQXTZFWFMMRLX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296618;MM296618;CCCC(C)C(C)N(C)C;ITZKDEIDNNTUCX-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296619;MM296619;C#CC=C(C)C(=C)CC#N;CSXHNFHNTIVDFE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296620;MM296620;CC(CCF)C(C)N(C)C;QJZQYEFWRKRJNJ-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296621;MM296621;C#CC=C(C)C(=O)CC=C;WULDTWSJSHSQGO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296622;MM296622;CCCC(N)C(C)N(C)C;LZICAXAIQSQRFJ-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296623;MM296623;C#CC=C(F)C(=O)CC#N;VRBBRECEAINYED-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296624;MM296624;CCCC(O)C(C)N(C)C;KHNRNMIBHFVMTN-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296625;MM296625;C#CC=C(F)C(=C)NC=O;NEEXIBMTWMFEEZ-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296626;MM296626;CC(C)C(C)N(C)CCN;KVXNHHRZKSCKJO-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296627;MM296627;C#CC=C(C)C(=N)NC=C;HWWSQLLORMMKDK-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296628;MM296628;CC(C)C(C)N(C)CCF;IYVBHFPQKTUBBT-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296629;MM296629;C=CC1C(=O)C(C)(C)N1C;MVKZFMMLUYITCZ-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296630;MM296630;CC(N)C(C)N(C)CCF;BOFGPOMQYVFFLA-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296631;MM296631;C=C(CNC=O)OC=CC;AHDRRJANCHTUMD-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296632;MM296632;CCCN(C)C(C)C(C)F;IOJAKRFVCMLEML-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296633;MM296633;C#CC=C(C)C(=O)NC=O;BYTAYEIRPLXKMN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296634;MM296634;C#CC=C(F)C(=O)NC=C;VBTCYJPZWQTDNP-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296635;MM296635;CC(C)N(C)C(C)CCN;VJSKWDRTWUYVPM-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296636;MM296636;C#CC=C(F)C(=O)NC=O;GTWFIPRLFNWQER-UHFFFAOYSA-N;141.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296637;MM296637;CC(C)N(C)C(C)CCF;ALRWUKJIJOVHIX-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296638;MM296638;C=COC(=CC)CNC=O;OSXREHLZFORQKR-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296639;MM296639;CNCC(C)N(C)C(C)C;BQLLUWNNOQSMGX-UHFFFAOYSA-N;144.26;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296640;MM296640;C#CC=C(F)C(=O)NN=C;CEYHJTXSWYCWEG-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296641;MM296641;C=CCC(C)C(C)C(C)C;YAUDZDIJHXZEPK-UHFFFAOYSA-N;140.27;3.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296642;MM296642;C#CC=C(F)C(=C)OC=C;IACSJUKLBGVOMF-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296643;MM296643;C=CCC(C)C(C)C(C)N;HXEGLVXSWSFZKN-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296644;MM296644;C#CC=C(F)C(=O)ON=C;ZMTPOYOWAFWTON-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296645;MM296645;C#CCCCC(C)NC=O;QHXNVLKSLGSIIT-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296646;MM296646;C#CCC(=C)C(C)=CCC;JDJVTLLQQMKRGX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296647;MM296647;CC(F)C(C)C(C)CC=O;GFPHCELBFVPABX-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296648;MM296648;C#CCC(=C)C(C)=CCN;AHCOQVSDXSPXCM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296649;MM296649;CC(CC=O)C(C)C(F)F;BHJSWDQROFHMNC-UHFFFAOYSA-N;150.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296650;MM296650;C#CCC(=C)C(C)=CCO;ASCWNRQVMWAFNR-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296651;MM296651;C=CCC(N)C(C)C(C)C;MEEBGLXCMRPBIM-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296652;MM296652;C#CCC(=C)C(F)=CCN;UGZYFKJYLRJTTO-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296653;MM296653;CC#CC(C)=NNCC=O;QGZRGTFSAZIUHB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296654;MM296654;C#CCC(=C)C(F)=CCF;BIBKWJUFBXRDJB-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296655;MM296655;CC(C)C(C)C(O)CC#N;ZLUCRWKBRIRGLZ-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296656;MM296656;C#CCC(=O)C(C)=CCC;NSUCQYFJZUNGIO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296657;MM296657;CC(F)C(C)C(O)CC=O;QIQPAROVDZMDQJ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296658;MM296658;C#CCC(=C)C(C)=COC;GQCXYTMFPJLXCN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296659;MM296659;CC(C)C(C)C(F)CC=O;MCMLOEGOBDVUQM-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296660;MM296660;CCC(C=NNC)NC=O;LEVQTVICNVARNP-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296661;MM296661;C=CCC(F)C(C)C(C)O;GRHICXRDIJEFPM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296662;MM296662;C#CCC(=C)C(C)=CC=C;UWTGOADRQZGCDU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296663;MM296663;CC(O)C(C)C(F)CC#N;NMXOIWQTMRBRNO-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296664;MM296664;C#CCC(=C)C(C)=CC=O;IWFGUMMNYDMSHP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296665;MM296665;C=CCC(F)C(C)C(F)F;XFGROMKRYMTSHQ-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296666;MM296666;C#CCC(=C)C(N)=CC#N;QMGMLYOASSJGGI-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296667;MM296667;C=CCC(C)C(N)C(C)C;XJZVOVXPUONMPZ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296668;MM296668;C#CCC(=C)C(F)=CC#N;LFJBEAJZKVBDOH-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296669;MM296669;C=CCC(C)C(N)C(C)F;PWOADSIZFKUTNI-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296670;MM296670;C#CCC(=O)C(C)=CC=C;YRMJAMLKQOYMIX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296671;MM296671;C=CCC(F)C(N)C(C)C;PVVNXEJMAWSJLM-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296672;MM296672;C#CCC(=O)C(C)=CC=O;HFGAOMCYQHMYSD-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296673;MM296673;CC(C)C(O)C(O)CC=O;ZKYQGQIMVPEQNZ-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296674;MM296674;C#CCC(=O)C(C)=CC#N;YUGGMLFLIOXZHC-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296675;MM296675;CC(C)C(O)C(O)CC#N;JQJPZDLSZFMSLQ-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296676;MM296676;C#CCC(=O)C(N)=CC=O;QLNQDWKBYCXIQJ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296677;MM296677;CC(F)C(O)C(O)CC=O;YTTNWRZCKAUTNU-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296678;MM296678;CC=C(C(N)=O)C(C)=CF;YOOFOUZYSNBJJC-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296679;MM296679;CC(F)C(O)C(F)CC#N;UJUIHTZKVFHYFJ-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296680;MM296680;C#CCC(=O)C(F)=CC=O;PBBFHWMDJKWXAF-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296681;MM296681;CC(O)C(F)C(C)CC=O;UBYONJCCOHIFDB-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296682;MM296682;C#CCC(=O)C(F)=CC#N;VYKFOABKJFAKLS-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296683;MM296683;C=CCC(N)C(F)C(C)C;NVAOZGKWZCASHJ-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296684;MM296684;C#CC=C(C)C(=C)CC#C;BLURFLKVKASOHR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296685;MM296685;C=CCC(N)C(F)C(C)N;WBRXPBUEGMRKND-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296686;MM296686;CC(C)C(C)C(C)NC=N;FPXQNXCIDUBJPE-UHFFFAOYSA-N;142.25;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296687;MM296687;C#CC=C(C)C(=O)CC#C;FBHDMTGWLJZBRJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296688;MM296688;CC(NC=O)C1(C)CN1C;DDWDPVZPNGBSCG-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296689;MM296689;C#CC=C(F)C(=O)CC#C;QKYAOGJTLNXQEB-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296690;MM296690;CC=CC(C)C(C)=CCC;AKYPHNTWUQXVJD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296691;MM296691;CC(O)C(C)C(C)NC=N;LLRCHMYTKOXCLS-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296692;MM296692;CC=CC(C)C(C)=CCN;UUNVEENACVSLSQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296693;MM296693;C=C(CC)CNC(=O)CC;WIANPOIKCSLYFW-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296694;MM296694;CC=CC(C)C(F)=CCN;ISAWKFVNLKKOPF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296695;MM296695;CC(C)C(N)C(C)NC=N;NZNKSBLKUPGDBH-UHFFFAOYSA-N;143.23;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296696;MM296696;C=NN(C)CC(C=O)CF;BDGASIJOUJIZDC-UHFFFAOYSA-N;146.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296697;MM296697;CC=CC(N)C(C)=CCO;FCGHGFBRVYNQOL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296698;MM296698;C=NNC(C)C(C)C(F)F;JJJUMYZEUSALCC-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296699;MM296699;CC(=CCN)C(N)C=CF;VPUYLJKSKSVSFJ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296700;MM296700;C=COC(C)C(C)C(C)C;UIYIJVDFLKRPTJ-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296701;MM296701;CC(=CCF)C(N)C=CF;BNEJZDIYCDZVNM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296702;MM296702;CC(C)C(C)C(C)OC=O;XCQSNISBXPCDPE-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296703;MM296703;CC=CC(O)C(C)=CCO;XKFWWYLEKNAXFD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296704;MM296704;C=COC(C)C(C)C(C)N;XZLUWWWLYYZAND-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296705;MM296705;NCC=C(F)C(O)C=CF;LCIUCSCUVDILPJ-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296706;MM296706;CC=CC(F)C(C)=CCC;MOBGZHNWSQVUOF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296707;MM296707;CC(O)C(C)C(C)OC=O;ILGSNAZXTBEMTG-UHFFFAOYSA-N;146.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296708;MM296708;CC=CC(F)C(C)=CCN;QVLMAEBBGKKODD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296709;MM296709;CC(C)C(N)C(C)OC=O;LRNQNWOYENGDBX-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296710;MM296710;CC(=CCN)C(F)C=CF;DIGLOKFWNPLMDJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296711;MM296711;CC(C)C(O)C(C)OC=O;HDPOMDLRIGHQCN-UHFFFAOYSA-N;146.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296712;MM296712;COC=C(C)C(N)C=CF;OSVNKERUGKQZSS-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296713;MM296713;CC(F)C(O)C(C)OC=O;GLHABZHSNMHFFR-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296714;MM296714;CC(=CCF)C(C)C=NN;FOZDFCABMSLHQO-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296715;MM296715;C=NOC(C)C(C)C(C)C;GBKBOXFKJVBADX-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296716;MM296716;CC(=CCN)C(C)C=NO;HGIPDZZHBCJPQC-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296717;MM296717;C=NOC(C)C(C)C(C)N;IDEATMNJYJZKDG-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296718;MM296718;CC(=CCF)C(C)C=NO;MMKGLPFWWCXMCD-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296719;MM296719;C=NOC(C)C(N)C(C)C;MEVDNFXHMGSIOI-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296720;MM296720;CC=CC(C)C(C)=NNC;SABFUGVHYIIOEP-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296721;MM296721;C=CC(=N)N(C)C(=O)CF;AURBWCDUOUNLBP-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296722;MM296722;CC=CC(C)C(C)=NOC;KYCMRQNRRQVLRW-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296723;MM296723;C=CCC(C)C(C)N(C)C;YTFJKMWFKJBQNF-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296724;MM296724;CC=CC(N)C(C)=NOC;SUOGJJFBTFZCHH-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296725;MM296725;CC(CC#N)C(C)N(C)C;ZTZJGLRQASBTSU-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296726;MM296726;CNN=C(C)C(C)C=NO;UHVDTRPWBFZWJE-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296727;MM296727;CC(OC=O)C(C)N(C)C;UZQXYAPHKRWXME-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296728;MM296728;C=C(C)C(CNC=O)=NN;XRWIWFSTJGBCEI-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296729;MM296729;C=CCN(C)C(C)C(C)C;BEHNFNLRZYFRDY-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296730;MM296730;CN=CN(C)C(C)=CCN;PNFQINNHVFPKNZ-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296731;MM296731;C=CCN(C)C(C)C(C)N;PRJRDQYIZKWCRD-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296732;MM296732;CN=CN(O)C(C)=CCN;PQJWKGUJZVIORA-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296733;MM296733;CC(C)C(C)N(C)NC=N;IBHGPTGOVNMYNW-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296734;MM296734;CON=C(C)N(N)C=CF;VZOVBJSPQIFNAY-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296735;MM296735;CC(F)C(C)N(C)NC=O;VXHTUGDPGFKFEC-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296736;MM296736;C=CC(CF)C(C)NC=O;PRNWCXNCJPVFLZ-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296737;MM296737;C#CCC(C)C(C)C(C)N;QEKOFIDCWXCSEK-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296738;MM296738;CC=Cc1nc(NC)c[nH]1;CWSZLMURXVRPRI-UHFFFAOYSA-N;137.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296739;MM296739;CC(=NN)N(C)C(=O)CF;YBWZSYBFKINMFB-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296740;MM296740;CC1CN1CC#CCCO;HWTFTVNMBYIQMH-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296741;MM296741;C#CCC(N)C(C)C(C)C;CVVXGBUAKHGJJQ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296742;MM296742;C#CCCC1CC1NC=O;ODRUSPUNAUPNPK-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296743;MM296743;C#CCC(O)C(C)C(C)O;YTPWMYZVNGJOLE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296744;MM296744;Cc1c(N)noc1F;BSSVJZBQPIYUOK-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296745;MM296745;C#CCC(F)C(C)C(C)C;QFMAHNLOUDDRKL-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296746;MM296746;CNN=C(C)N(O)C=NO;LMDOUCWCHUDNNF-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296747;MM296747;C#CCC(C)C(N)C(C)F;SCCHCTBADQGBAM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296748;MM296748;Cc1noc(F)c1N;YZCUKAAYXQWWNE-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296749;MM296749;C#CCC(O)C(N)C(C)C;UZZGDEXMDXECGU-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296750;MM296750;CC=NN(C)C(C)=NCC;ZOPANHVJXILDBS-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296751;MM296751;C=NOCC#CC(=O)CF;KTTUXZVXICKCSA-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296752;MM296752;C=CC=C(C)C(C)C=CC;DIWUKYRQYHTJTC-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296753;MM296753;C#CCC(C)C(O)C(C)O;AVIMOFGNDDILCW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296754;MM296754;CC=CC(C)C(C)=CC=O;VYVQOZXHOBSEAU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296755;MM296755;C#CCC(N)C(O)C(C)C;MLYKNIWNTMETBI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296756;MM296756;CC=CC(C)C(C)=CC#N;VFUBBIZVEBHMAN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296757;MM296757;C#CCC(O)C(O)C(C)C;CXSHZLHDJWVQSG-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296758;MM296758;CC=CC(C)C(N)=CC#N;LHBUVBLWYRZMAJ-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296759;MM296759;C#CCC(C)C(C)N(C)C;DFCGGUTVQHZAEP-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296760;MM296760;CC=CC(C)C(F)=CC#N;XWWVXIVYKKAREW-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296761;MM296761;C#CCC(C)N(C)C(C)C;IQAUGKFWGQQKHQ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296762;MM296762;C=CC=C(C)C(N)C=CC;RATXKXRBHVGGOB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296763;MM296763;C=C(C)C(C)C(C)CCC;HNMOUBJLUGZYTE-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296764;MM296764;CC(=CC=O)C(O)C=CF;GBSXHXDREQSLMF-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296765;MM296765;CC=C(CCC=O)C(N)=O;FUYPOFCDVHREGZ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296766;MM296766;NC(=CC=O)C(O)C=CF;XKTIDTYZLUSZNB-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296767;MM296767;CC(=O)C(C)C(C)CCF;GFZCKWGLHWCPQN-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296768;MM296768;CC(C)(O)CC=CCO;KCFZDBCPRHXCTP-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296769;MM296769;CCCC(C)C(C)C(=N)N;XPIBXILMLCPTMP-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296770;MM296770;CC=CC(O)C(F)=CC#N;FAKIRDPUJFFLKW-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296771;MM296771;CC(CCF)C(C)C(=N)N;OHIFSSKCBKBOFS-UHFFFAOYSA-N;146.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296772;MM296772;CC(=CC=O)C(C)C=NO;JCZIGOIEZNXMIJ-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296773;MM296773;C#CC1N=C(C)N(N)C1=N;QXDMZGQPBVFESI-UHFFFAOYSA-N;136.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296774;MM296774;CC(=CC#N)C(C)C=NO;JOSXICWFHAULFD-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296775;MM296775;N#CC#CC1=NCC(=N)N1;KCDHCRXNNPAPBE-UHFFFAOYSA-N;132.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296776;MM296776;CC(C=NO)C(N)=CC=O;FGFRKVMNAMRLSP-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296777;MM296777;CC#CC(F)C(C#N)=CN;OKTJJAMBDHEZDA-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296778;MM296778;CC(O)CCC(O)C(=O)O;QDKYRZRRXQKVJI-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296779;MM296779;CC(C=NO)C(N)=CC#N;QLWGMYQWQGUCRK-UHFFFAOYSA-N;139.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296780;MM296780;C=C(F)C(C)C(C)CCC;SETQYDMAOGQOHF-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296781;MM296781;CN(CCF)CC(N)=O;DQABKYLQBZWJGB-UHFFFAOYSA-N;134.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296782;MM296782;C=C(F)C(C)C(C)CCN;WCBCWKPGLBLOTQ-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296783;MM296783;C=CC=C(C)C(F)C=NN;AFUJSJCZBZCTJG-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296784;MM296784;C=C(F)C(C)C(N)CCC;JFLAOWMMDFVSSA-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296785;MM296785;C=NN=C(C)C(C)C=CC;VYABZIQMPMDAMB-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296786;MM296786;C=C(F)C(C)C(N)CCF;VBPWNYOCKZKLMV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296787;MM296787;CC(=CC#N)N(C)C=NO;VLMWKWWJXGGKHA-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296788;MM296788;C#CCC1ON=C(NC)O1;JQTOAUVTMCQIHW-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296789;MM296789;CNN=C(C)CNC=O;RIBZOWPVGPHKNN-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296790;MM296790;CC(C(=N)N)C(O)CCN;OCJXWMBNGKANCA-UHFFFAOYSA-N;145.21;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296791;MM296791;N#CC=C(N)N(O)C=NO;AXLQFSITJBJNMB-UHFFFAOYSA-N;142.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296792;MM296792;CCCC(O)C(C)C(N)=O;NGTCWHXHICULBE-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296793;MM296793;C=NN=C(C)N(C)C=CC;OGQUMCFQCDHEKQ-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296794;MM296794;C=C(C)C(C)C(F)CCN;ACHXAOGZPLGQKP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296795;MM296795;C=NN=C(C)N(N)C=CC;JIMYAHSKQKHNFO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296796;MM296796;C=C(C)C(C)C(F)CCF;AJTMAWKXNQATBC-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296797;MM296797;C=NOCCC(=O)CF;OPXNGRFBODGQNI-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296798;MM296798;CC(=O)C(C)C(F)CCF;RLLHJLUYTOURDL-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296799;MM296799;C=CC(=O)NC1CC1C;CMNZQQXSPAWNSN-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296800;MM296800;CC(C(=N)N)C(F)CCF;LXSCAHYTMXTUJB-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296801;MM296801;CC=CC(=O)NC1CC1;MNRDPIJFSOZQED-UHFFFAOYSA-N;125.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296802;MM296802;CCCC(F)C(C)C(N)=O;IVEBXQGETHHLGX-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296803;MM296803;CC(=NC=N)N(O)C=NO;LJWVIGSCSAOXLS-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296804;MM296804;CC(C(N)=O)C(F)CCF;LQJXUNYTVCQNEQ-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296805;MM296805;CC=NN(C)C(C)=CC=O;YTADZVMIRWNBHG-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296806;MM296806;CCCC(F)C(C)C(=O)O;GUJNOYVTXLFSTJ-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296807;MM296807;C=NN=C(C)N(C)N=CC;KITHXTUJPFXQMF-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296808;MM296808;CC(C(=O)O)C(F)CCF;XKGSKYKVFVNKTQ-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296809;MM296809;C#CC=C(C)C(C)C=CC;YTMYEUFOHKJIQA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296810;MM296810;C=C(F)C(C)C(F)CCN;HCNFITHABODMLT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296811;MM296811;C#CC=C(C)C(C)C=CF;WCYCWKQZWYUQPM-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296812;MM296812;C=C(C)C(N)C(C)CCC;RLVCQZVXQWPVFA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296813;MM296813;C#CC=C(C)C(N)C=CF;HTDVCANAXKSWOC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296814;MM296814;CC(CCN)C(N)C(=N)N;BOQQEJLQWPYLQU-UHFFFAOYSA-N;144.22;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296815;MM296815;C#CC=C(C)N(O)C=NO;WILOLGYUQFWQAL-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296816;MM296816;C=C(F)C(N)C(C)CCF;AVLYWKCXCBVARY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296817;MM296817;CCC=C(C)C(=O)C=CN;BEEALXVJAVTUHL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296818;MM296818;CCCC(N)C(N)C(=N)N;ZKTOXMOOPZAUQM-UHFFFAOYSA-N;144.22;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296819;MM296819;CC(=CCF)C(=O)C=CF;XUIOBAJKPSYBNV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296820;MM296820;N=C(N)C(N)C(O)CCO;CFQJMZYDCMCTTB-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296821;MM296821;NC=CC(=O)C(F)=CCO;QQXODYJZQLHYAK-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296822;MM296822;C=C(C)C(N)C(F)CCC;VYZVPYTVHFCMKD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296823;MM296823;CC=CC(=O)C(C)=CNC;KLUOCEFDCDJYDV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296824;MM296824;C=C(C)C(N)C(F)CCF;XYRZVDFURXJTRC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296825;MM296825;CNC=C(F)C(=O)C=CN;QNSMNUHDGFEAMP-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296826;MM296826;C=C(C)C(O)C(C)CCO;QRNKCMINLQCPLG-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296827;MM296827;N=C1NN=C(C=O)C1=O;YUQWYBJPQGOIPA-UHFFFAOYSA-N;125.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296828;MM296828;C=C(C)C(O)C(N)CCC;MBCKEOQMYLXNSA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296829;MM296829;C=C(C=CC)C(C)=NOC;RVYBNYNGWMZPGP-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296830;MM296830;CCCC(N)C(O)C(=N)N;HQULXHPEWJZYPE-UHFFFAOYSA-N;145.21;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296831;MM296831;C=C(C=CC)C(N)=CC#N;LGPAIGFHKNKPRS-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296832;MM296832;C=C(C)C(O)C(O)CCO;MHRGHILZDDHDFK-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296833;MM296833;C=C(C=CF)C(N)=CC=O;ZNUNPBCGPNYFPB-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296834;MM296834;C=C(C)C(O)C(O)CCF;MPPVTXCRJBHRIC-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296835;MM296835;CC=CC(=O)C(C)=CC=O;VGBFTECXHHNQMQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296836;MM296836;CCCC(O)C(O)C(C)=O;WMONXLCFDLFZOM-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296837;MM296837;CC=CC(=O)C(C)=CC#N;PRVZGPQSHSJFAN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296838;MM296838;NC(=CC=O)C(=O)C=CF;XLMRHKPMQPZCET-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296839;MM296839;N=C(N)C(O)C(O)CCN;LTKFGRFVZXHEFN-UHFFFAOYSA-N;147.18;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296840;MM296840;C=CC=C(F)C(=C)C=NN;AEITZAHSZQGDGD-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296841;MM296841;N=C(N)C(O)C(O)CCO;SBYPZHQMNHLKJR-UHFFFAOYSA-N;148.16;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296842;MM296842;C=NN=C(C)C(=O)C=CN;BZARBIZDRGXXIS-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296843;MM296843;CC(=O)NC(C)(C)C(=O)O;BSIWIVCJKKGHQY-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296844;MM296844;C#CC=C(F)C(=C)C=CC;LXGIQBVQBOGERI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296845;MM296845;CC(=O)C(O)C(F)CCF;HOPAUQRCPRPAIV-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296846;MM296846;C#CC=C(C)C(=O)C=CC;WOLZXUHSLNUBNM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296847;MM296847;C=C(C)C(F)C(C)CCN;NOIREZLWAROHKO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296848;MM296848;C#CC=C(F)C(=O)C=CN;FVKWTEGUXIMOJX-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296849;MM296849;CC(=O)C(F)C(C)CCF;VWSFHYWSBSALAB-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296850;MM296850;CC#CC(C)C(C)=CCC;YCJFTXYDEGBQCJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296851;MM296851;CC(CCF)C(F)C(=O)O;AVYZUQKUNJSJON-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296852;MM296852;CC#CC(C)C(C)=CCN;DMVMESXUCKSJLB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296853;MM296853;C=C(C)C(F)C(N)CCO;OLEAGXSIRFRUFJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296854;MM296854;CC#CC(C)C(F)=CCN;RMUBFMWRMCJCNH-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296855;MM296855;C=C(C)C(F)C(O)CCN;MTQKZOZPOQXCIO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296856;MM296856;CC#CC(N)C(C)=CCC;PHADSYSTTFFRFA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296857;MM296857;NC(=O)C(F)C(O)CCO;JUUIADGMEKWOHX-UHFFFAOYSA-N;151.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296858;MM296858;CC#CC(N)C(C)=CCN;LGTHKMSKVIVBOS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296859;MM296859;CC(C)=C(C(N)=O)C(=O)O;ZGXJCRZEBWFJNI-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296860;MM296860;CC#CC(O)C(C)=CCN;YSFRBKWTWOYZLW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296861;MM296861;C=C(C)C(F)C(F)CCN;UHAMZFNFLDAPEO-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296862;MM296862;CC#CC(O)C(C)=CCO;NVUIKCZNHNWLKM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296863;MM296863;C=C(C)C(F)C(F)CCO;PKOLYSOARQLQGJ-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296864;MM296864;CC#CC(O)C(F)=CCF;IZMAJRBDBFHALN-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296865;MM296865;C=C(C)C(C)C(C)CNC;PCRUIUSXUHSVGC-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296866;MM296866;CC#CC(F)C(C)=CCN;DDDSAWCUEKZMBX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296867;MM296867;CNCC(C)C(C)C(C)=O;AAWBGVUQSOBVKE-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296868;MM296868;CC#CC(C)C(F)=COC;GJHYLJNIIMDRHN-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296869;MM296869;CNCC(C)C(C)C(N)=O;NDMZKKSWHCKVEA-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296870;MM296870;CC#CC(O)C(F)=COC;FOYHYSXIJMREAB-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296871;MM296871;C=C(F)C(C)C(C)CNC;HHKPLHMAIDGLRN-UHFFFAOYSA-N;145.22;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296872;MM296872;CC#CC(O)C(C)=NOC;RBJXMOKNIGNPJX-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296873;MM296873;C=C(F)C(C)C(N)CNC;DOGNVJMDLOLMJP-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296874;MM296874;CC#CC(C)C(C)=CC=O;ZXLBQTKJSKPESW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296875;MM296875;CNCC(O)C(C)C(=N)N;WRCBLSXWCBMPAF-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296876;MM296876;CC#CC(C)C(C)=CC#N;SJLDFNJUXYXNLW-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296877;MM296877;C=C(C)C(C)C(F)CNC;XKRBWVYUFDNAJN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296878;MM296878;CC#CC(C)C(N)=CC=O;CLMWVQKDTKTGRA-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296879;MM296879;C=C(F)C(C)C(F)CNC;MMIQVTMDUXGQOD-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296880;MM296880;C=CC=C(F)C(C)C#CC;FAUQXHGMYIBNAE-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296881;MM296881;CNCC(O)C(O)C(=N)N;VGYPWLNDEAAFMQ-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296882;MM296882;CC#CC(C)C(F)=CC#N;AZBHTGYFZCHKJT-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296883;MM296883;CNCC(O)C(O)C(N)=O;LTRJGQRTJITWTM-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296884;MM296884;CC#CC(O)C(C)=CC=O;KSEGLFKFCHUNCK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296885;MM296885;C=C(F)C(O)C(O)CNC;YINTVXJUBWBSOG-UHFFFAOYSA-N;149.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296886;MM296886;CC#CC(F)C(C)=CC=O;ZCICOSWAGASETQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296887;MM296887;C=C(C)C(F)C(C)CNC;ZYHNFQGIHCBXQW-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296888;MM296888;CC#CC(F)C(C)=CC#N;NCWRGCHCFWQLGX-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296889;MM296889;C=C(F)C(F)C(C)CNC;YINBGZZPUSBLGZ-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296890;MM296890;CC#CC(F)C(N)=CC=O;YDUDUAZDBQQKKV-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296891;MM296891;C=C(C)C(F)C(O)CNC;JGEVZYISRZVNRL-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296892;MM296892;CC#CC(F)C(N)=CC#N;IMOOTUNKNGBWOX-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296893;MM296893;C=C(C)C(F)C(F)CNC;VJZKIWRHZAZAMH-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296894;MM296894;COCC(O)C(C)C(=N)N;JDJSYYDOZBRTBF-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296895;MM296895;C=CC=C(F)C(F)C#CC;OEWWHODPDRMEBO-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296896;MM296896;COCC(F)C(C)C(=N)N;MBHCUTXJYILHEB-UHFFFAOYSA-N;148.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296897;MM296897;CC#CC(F)C(F)=CC#N;SYUDMJVDGIAFBR-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296898;MM296898;O=c1[nH][nH]oc1=O;YDCVQGAUCOROHB-UHFFFAOYSA-N;102.05;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296899;MM296899;C=NN=C(C)C(C)C#CC;XCJGIKTVZPDRNG-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296900;MM296900;COCC(O)C(O)C(=N)N;WSTBRNSTOQBHOD-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296901;MM296901;COc1n[nH]c(C)c1C;NYYJLMQZVZDIDI-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296902;MM296902;COCC(O)C(O)C(N)=O;SBHCZXUKJVRAHU-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296903;MM296903;C#CC=C(C)C(C)C#CC;HOAMCFFBPVYCOS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296904;MM296904;C#CC(F)C(CC=O)=NO;FLPDUZGYSBXAGE-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296905;MM296905;C#CC=C(C)C(N)C#CC;BJBOUNQGHGZKPL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296906;MM296906;C=C(F)C(O)C(O)COC;WLVZHKNTKODOLU-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296907;MM296907;C#CC=C(C)C(O)C#CC;OPWANUBRFFFUMA-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296908;MM296908;COCC(F)C(O)C(C)=O;XZMOJSUYWZIIBI-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296909;MM296909;C#CC=C(F)C(O)C#CC;NVKCWPQSJZPOLX-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296910;MM296910;COCC(F)C(O)C(=N)N;BOCNBPQGWAJLRO-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296911;MM296911;C#CC=C(F)C(F)C#CC;JKVHFTKCUHEPBT-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296912;MM296912;Cn1nc(O)c(O)c1F;DEXXABMWSUQGQW-UHFFFAOYSA-N;132.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296913;MM296913;C=C(C#CC)C(C)=CCC;CPJULARYNPDSNE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296914;MM296914;COCC(O)C(F)C(C)=O;QWHOWRQAEGIWEQ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296915;MM296915;C=C(C#CC)C(C)=CCN;QRENBPMHHONHCU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296916;MM296916;COCC(O)C(F)C(N)=O;LQMYYSGZRHFXKJ-UHFFFAOYSA-N;151.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296917;MM296917;C=C(C#CC)C(F)=CCC;KQGCRDAMJKZRPQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296918;MM296918;C=C(F)C(F)C(O)COC;WAUPHPUXUFWYBY-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296919;MM296919;C=C(C#CC)C(F)=CCN;CWTZHCNVVVPZRS-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296920;MM296920;C=C(C)C(C)C(C)NCC;PSVGJFNMKICKLJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296921;MM296921;CC#CC(=O)C(C)=CCC;ROYXMGVBTAQRJY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296922;MM296922;CCNC(C)C(C)C(N)=O;YCRJESQITDEDMD-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296923;MM296923;CC#CC(=O)C(C)=CNC;XKBOCIPUXYUXCM-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296924;MM296924;CCNC(C)C(F)C(C)=O;PJYHLIRBEUPFLN-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296925;MM296925;C=C(C#CC)C(C)=NOC;OGMBKAUFJLFQNA-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296926;MM296926;C#CC=NOC(C#N)=NO;ONOZOQBOUAWKMM-UHFFFAOYSA-N;137.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296927;MM296927;CC#CC(=O)C(C)=NOC;FFCLLXFRHHZYCC-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296928;MM296928;CCOC(C)C(F)C(N)=O;VQAXKKYDFQDLOE-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296929;MM296929;C=CC=C(C)C(=C)C#CC;WHEPPNGDGIXIKE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296930;MM296930;C=C(C)C(C)N(C)CCC;GIDLNKSMPILJPO-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296931;MM296931;C=C(C#CC)C(C)=CC#N;LIOYLNCAIGKOIP-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296932;MM296932;CCCN(C)C(C)C(=N)N;YOHLHFQBYTVLBC-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296933;MM296933;C=C(C#CC)C(N)=CC#N;HGRXGDCMZYDXLR-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296934;MM296934;CC(C(=N)N)N(C)CCF;RROVIVWPXKEIBO-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296935;MM296935;CC#CC(=O)C(C)=CC#N;YFRDQRUZBBETJX-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296936;MM296936;CC(=N)N(C)C(C)CCO;UBINOOYKFMJPIG-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296937;MM296937;CC#CC(=O)C(N)=CC=O;MGDRTPCKOWSQKB-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296938;MM296938;CC(=N)N(C)C(C)CCF;PADJFUFLFVOLHO-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296939;MM296939;CCC(CNC=O)=NN;QNRORKYBCUEEMM-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296940;MM296940;CC(=O)N(C)C(C)CCN;PFCOBOMFNMFHGS-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296941;MM296941;CC#CC(=O)C(F)=CC#N;UMJACIWWLRAUBE-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296942;MM296942;CC(=O)N(C)C(C)CCF;SITRALJNNSMYMH-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296943;MM296943;C=NN=C(C)C(=C)C#CC;FYXXEHQZBWWOLS-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296944;MM296944;CCCC(C)N(N)C(C)=O;RSAHIXDIPJCTHI-UHFFFAOYSA-N;144.22;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296945;MM296945;C=NN=C(C)C(=O)C#CC;XEGPQCNHPMFXHJ-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296946;MM296946;CC(=O)N(N)C(C)CCF;PECGQWMDNLBJJI-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296947;MM296947;C#CC=C(C)C(=C)C#CC;AOGHDEZDOALLNG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296948;MM296948;CNCC(C)N(C)C(C)=O;SHPTWGJLOZXGFQ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296949;MM296949;C#CC=C(F)C(=C)C#CC;BRHVNJNHLLWIIJ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296950;MM296950;CCCN(C)N(C)C(C)=O;WFOMRYQDUQQSRI-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296951;MM296951;C#CC=C(C)C(=O)C#CC;KUQGODLXVQIBIS-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296952;MM296952;O=CCOC=NOCC=O;VGNZYHHUDYKWTC-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296953;MM296953;CCC=C(F)C(C)=CCN;CJEKPJVKULDRCY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296954;MM296954;CC(=O)N(C)N(C)CCF;HXEOFPGOHVDERJ-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296955;MM296955;CC(=CCN)C(F)=CCF;VURXJHKJQNVSDQ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296956;MM296956;CN(CCO)N(C)C(=N)N;CMHVRNQEGBCVHJ-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296957;MM296957;COC=C(F)C(F)=COC;CDXFXJYMHMBKCL-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296958;MM296958;C=CC(=O)NC(C)C;QNILTEGFHQSKFF-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296959;MM296959;CCC=C(F)C(C)=NOC;ISPCMVCSMXLMSR-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296960;MM296960;CC1(C)CC1NC=O;OBPNAWQAVWTHHF-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296961;MM296961;C#CC1=NCC(=NN)N1;SGEAIUHNNOJBEG-UHFFFAOYSA-N;122.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296962;MM296962;C=CCC(C)C(C)C(=C)C;HFDDGHKOPDWFBD-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296963;MM296963;COC=C(C)C(C)=NOC;LPQJRAVQDDGUEL-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296964;MM296964;C=C(C)C(C)C(C)CC=O;RYSYJTFLOXRNAM-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296965;MM296965;COC=C(F)C(C)=NOC;WKOOQBLRQJRELJ-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296966;MM296966;C=C(C)C(C)C(C)CC#N;HPRLZWOQGMKNDJ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296967;MM296967;N#CC1NC1C(=O)C=O;JUDBXNDHFHAGQU-UHFFFAOYSA-N;124.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296968;MM296968;C=CCC(C)C(C)C(=N)N;HGYRYRDBKPSJQB-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296969;MM296969;CON=C(C)C(C)=NOC;UWTGFRRQPGZXCA-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296970;MM296970;CC1C(C)C1NC=O;YNAMOIKFTRCMAA-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296971;MM296971;CCC=C(C)C(C)=CC#N;LBUUGMXYTZIHEA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296972;MM296972;C=CCC(C)C(C)C(=O)O;YSJTYTJWJIUYLC-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296973;MM296973;C=CC=C(C)C(C)=CCN;JCLMXBANPRMSKX-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296974;MM296974;CC(CC#N)C(C)C(=O)O;ZLSDUKHEAQDHOA-UHFFFAOYSA-N;141.17;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296975;MM296975;C=CC=C(F)C(C)=CCN;YKGGZRRMTPPLLU-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296976;MM296976;C=CCC(N)C(C)C(=C)C;FJOCXQAWRMTHJW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296977;MM296977;CCC=C(F)C(N)=CC#N;DDAJQMBNLMHUPN-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296978;MM296978;C=CCC(N)C(C)C(=N)N;WBQCHNBNUQDKRW-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296979;MM296979;COC=C(C)C(N)=CC=O;MYOFLFMEFNEFCG-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296980;MM296980;C=CCC(N)C(C)C(=C)F;WCZOVFOBJRLULL-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296981;MM296981;C=NN=C(C)C(C)=CCC;RUQPZLAWKAXLTK-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296982;MM296982;CC(C(=N)N)C(O)CC#N;VGHPOJZDBGSMGV-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296983;MM296983;C=NN=C(C)C(F)=CCN;DVDYZWNDXCENIQ-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296984;MM296984;C=CCC(O)C(C)C(N)=O;KMIJJOWJYXLZEV-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296985;MM296985;C=NNC(C)=C(C)C=NC;JSPRCVNUTBZHHF-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296986;MM296986;N=c1cc[nH]nnc1=NO;PJMJHBZTYFIHFM-UHFFFAOYSA-N;139.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296987;MM296987;CNN=C(C)C(F)=CC#N;FMZRDNJMDPMNFH-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296988;MM296988;C=C(F)C(C)C(O)CC#N;KQACBMQRXJQKHQ-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296989;MM296989;N#CC(=N)N1CC1C=O;PSDFPYWDCWNCGS-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296990;MM296990;C=C(C)C(C)C(F)CC=O;NFRSPBFGKGHWIA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296991;MM296991;NN=CCCC=CCO;JANFHBDHJNBUOP-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296992;MM296992;C=CCC(F)C(C)C(C)=O;VXPLAIQKFPXALB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296993;MM296993;C=NN=C(C)C(C)=NOC;QUWQDZWMFQPILH-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296994;MM296994;CC(=O)C(C)C(F)CC#N;CLOMUCSIGVWMPU-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296995;MM296995;C#CC=C(C)C(C)=CCC;UESRVAFFMRNWFI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296996;MM296996;C=CCC(F)C(C)C(=N)N;HLCKITQDUOFWRH-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296997;MM296997;C#CC=C(C)C(C)=CCN;ZJJSONLEPXUOAY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296998;MM296998;C=CCC(C)C(N)C(=C)C;WBVOVKOTMYTKQI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM296999;MM296999;C#CC=C(F)C(C)=CCN;JWWRWORYLWNHDQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297000;MM297000;C=CCC(C)C(N)C(N)=O;PYBQVZWAEKPETO-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297001;MM297001;C#CC=C(C)C(F)=CCC;VITNONCTGGODLC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297002;MM297002;C=CCC(C)C(N)C(=C)F;JTTZUNOFAJJTBA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297003;MM297003;C#CC=C(C)C(C)=NOC;NNZASSOPVONIJU-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297004;MM297004;C=CCC(F)C(N)C(=C)C;WYMJHMIYSQEFBP-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297005;MM297005;CC(=CC#N)C(C)=CC#N;NVTXFMSSZHCUII-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297006;MM297006;C=CCC(F)C(N)C(=N)N;KWWRCUVAWRPWKE-UHFFFAOYSA-N;145.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297007;MM297007;CC(=CC#N)C(N)=CC#N;IJHPUEPNOHMGDQ-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297008;MM297008;CCC(=O)NC(C)(C)C;RWLPNKXCEUMHBL-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297009;MM297009;C=CC=C(C)C(F)=CC=O;BWIYJDFJLFXSCH-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297010;MM297010;CC(=O)C(O)C(C)CC=O;OQRWAPQRUBALPJ-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297011;MM297011;C=CC=C(F)C(C)=CC=O;CDIFUPLGEXMEMP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297012;MM297012;C=CCC(N)C(O)C(=N)N;AFFPBHWMQBGFKM-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297013;MM297013;C=CC=C(F)C(N)=CC#N;FFBNEKDDPKHRDB-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297014;MM297014;C=C(C)C(O)C(O)CC#N;ROYWYKNUEPPLFZ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297015;MM297015;N#CC=C(F)C(N)=CC=O;FYIPLMUHFMWOSY-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297016;MM297016;CC(=O)C(O)C(O)CC#N;YEUQTBSTRGWVCD-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297017;MM297017;N#CC=C(N)C(F)=CC#N;MYOVXOYSNICQMA-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297018;MM297018;N=C(N)C(O)C(O)CC=O;MJFVLEDAHXYDOJ-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297019;MM297019;CC(C)(CCCF)NC=O;JYUMPDRMNFEFKR-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297020;MM297020;N#CCC(O)C(O)C(=N)N;LXKPRXSHPMQEPK-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297021;MM297021;C=NN=C(C)C(N)=CC#N;GAHLMHUTVAFXBJ-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297022;MM297022;N#CCC(O)C(O)C(N)=O;NJEKUKMUWGFKGQ-UHFFFAOYSA-N;144.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297023;MM297023;C#CC=C(C)C(N)=CC#N;JTIQZINEUUCLTL-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297024;MM297024;CNn1cc(O)c(F)n1;UGYLXTJOMZYTQX-UHFFFAOYSA-N;131.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297025;MM297025;C#CC=C(F)C(N)=CC=O;UNNDGHXWAVBNCC-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297026;MM297026;C=C(F)C(O)C(O)CC=O;CLMYTMITGJJIFB-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297027;MM297027;C#CC=C(F)C(N)=CC#N;UPWIKBMGPFUZEW-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297028;MM297028;C=C(F)C(O)C(O)CC#N;YVNXAWFISOWVOF-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297029;MM297029;C#CC=C(F)C(F)=CC#N;AWYVYATYCGWRIA-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297030;MM297030;C=CCC(F)C(O)C(C)=O;YWMZWSQOLFJWJZ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297031;MM297031;C=C(CC(N)=O)OC=NN;XZHWBZGYVVTCCE-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297032;MM297032;N#CCC(F)C(O)C(=N)N;PJQINXVLYZUXBX-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297033;MM297033;CCC(C)(O)CC=CCO;XFJRIQMZZXMWHZ-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297034;MM297034;N#CCC(F)C(O)C(N)=O;CXFSNZOLZHZTFH-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297035;MM297035;CC(CCF)=C(C)CCF;CRHQZICKHHPQPW-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297036;MM297036;CN=c1nc(O)nnn1O;GLILWFCASWGFHY-UHFFFAOYSA-N;143.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297037;MM297037;CCCC(F)=C(C)CCN;KMLUINOHONXCOL-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297038;MM297038;C=C(F)C(O)C(F)CC#N;XZJFXBZQTJIADR-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297039;MM297039;CC(CCN)=C(F)CCN;HGHCCOYBRQROMI-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297040;MM297040;C=CCC(C)C(F)C(C)=O;JBXJBYITOYZRKR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297041;MM297041;CC(CCN)=C(F)CCF;JGFADCJBJRNVSQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297042;MM297042;C=CCC(C)C(F)C(=O)O;BNPVUEGTCCYKHU-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297043;MM297043;CC(CCF)=C(F)CCN;WSDFQPLZHYHQQH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297044;MM297044;C=C(C)C1=NC(=CO)C=N1;ORBVGHTYALPAJA-UHFFFAOYSA-N;136.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297045;MM297045;CC(CCF)=C(F)CCO;IETWRBDMGPBIHT-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297046;MM297046;C=C(F)C(F)C(C)CC=O;PLZLNEZVSLXSQM-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297047;MM297047;CC(CCF)=C(F)CCF;CNMGOSRSZDFJPA-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297048;MM297048;C=CCC(N)C(F)C(=C)C;VRHOQTJWMHCVPH-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297049;MM297049;OCCC(F)=C(F)CCO;QWDOGFVBGLEYMX-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297050;MM297050;C=C(C)C(F)C(O)CC#N;BSBZCBRQKJKXOT-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297051;MM297051;CCCC(C)=C(C)CNC;QCKWXZNKEKTSRY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297052;MM297052;N#CCC(O)C(F)C(N)=O;HMMAYKRHWFLOSF-UHFFFAOYSA-N;146.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297053;MM297053;CNCC(C)=C(C)CCO;RNSGFJYJWNRJOQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297054;MM297054;C=CCC(F)C(F)C(N)=O;JPBFUYDRYRJAHX-UHFFFAOYSA-N;149.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297055;MM297055;CNCC(C)=C(C)CCF;YDAMMLJGWSVEIL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297056;MM297056;C=C(C)C(C)C(C)NC=N;QDYONUCMHHRHIW-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297057;MM297057;CNCC(F)=C(C)CCN;WEAPHNRACDZUEL-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297058;MM297058;C=C(F)C(C)C(C)NC=N;JOZXOHSIZFZNGK-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297059;MM297059;CCCC(F)=C(C)CNC;NAMIDOMBURMRQO-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297060;MM297060;C=C(C)C(O)C(C)NC=N;MCYQJJULJZAOAQ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297061;MM297061;CNCC(C)=C(F)CCN;GJYLLLDILUBXMG-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297062;MM297062;C=C(F)C(O)C(C)NC=N;NVGKEKYNLKEAKV-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297063;MM297063;CNCC(C)=C(F)CCO;WWTMSJOLVMJLNU-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297064;MM297064;C=C(F)C(O)C(C)NC=O;BPQHXBQQMZOJBF-UHFFFAOYSA-N;147.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297065;MM297065;CNCC(C)=C(F)CCF;AWAVUWZQFKIYHN-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297066;MM297066;NC(=O)C1CC(CO)C1;AQKZWWFONYQAQT-UHFFFAOYSA-N;129.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297067;MM297067;CNCC(F)=C(F)CCN;CZIGYSOCBIUOIZ-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297068;MM297068;C=CC1CC(NC=O)C1;KXABMBXPBQTUJH-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297069;MM297069;CNCC(C)=C(C)CNC;LFGWPRNVYOHZGE-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297070;MM297070;C#CC(C(=O)O)C(C)=NN;QZASZGIDIWHELW-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297071;MM297071;COCC(F)=C(F)COC;IYULGAGJPMZZRL-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297072;MM297072;C=C(C)C(N)C(C)OC=O;SRUQRPKUSBBEMA-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297073;MM297073;CCOC(C)=C(C)CCO;VKQRPNGZSJSMOY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297074;MM297074;CONC(=O)C=NN=CN;XTRBEKMMKVQJLK-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297075;MM297075;C=CCC(C)=C(C)CCC;GFGJQFHFSAVVJJ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297076;MM297076;CC(=O)C(F)C(C)OC=O;DTEHVVCVDMQJGD-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297077;MM297077;CCCC(C)=C(C)CC=O;JYCLZOMBAMAEAJ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297078;MM297078;C=COC(C)C(F)C(N)=O;OSAPDOUDCJPZEE-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297079;MM297079;C=CCC(C)=C(C)CCN;GLEQGAOMLKCPLM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297080;MM297080;C=NOC(C)C(C)C(=C)C;KMZFGKKMDTYIBC-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297081;MM297081;CC(CC=O)=C(C)CCF;REPYYBCGDNEETB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297082;MM297082;C#Cc1c[nH]c(N)c1F;DDNOAFMFUUEKCO-UHFFFAOYSA-N;124.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297083;MM297083;C=CCC(F)=C(C)CCN;IZFYCKGLXCXSRD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297084;MM297084;CNc1nc(=O)c(N)n[nH]1;FOKGLUVIZCFBLT-UHFFFAOYSA-N;141.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297085;MM297085;CC(CCO)=C(F)CC#N;DQHWCPFHOINVDX-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297086;MM297086;C=NOC(C)C(N)C(=C)C;HPCMAAUDCPQJNI-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297087;MM297087;C=CCC(F)=C(C)CCF;MPYFRBQNDQPYSN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297088;MM297088;O=CC1CC1C(=O)O;VOVAKSXCTQYGIH-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297089;MM297089;CC(CCF)=C(F)CC=O;CLBDOHGZUWAVTN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297090;MM297090;C=CCN(C)C(C)C(=C)C;VEPYHRZJORQFMP-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297091;MM297091;CCCC(F)=C(C)CC=O;ROOIVBALDBLIMU-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297092;MM297092;COC1=NNC(C=O)C1;UBZCECCHECXFOQ-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297093;MM297093;CCCC(F)=C(C)CC#N;RIVZKHRKBBNACR-UHFFFAOYSA-N;141.19;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297094;MM297094;CC(=O)C(C)N(C)NC=O;YNEWILXTMNTNGU-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297095;MM297095;C=CCC(C)=C(F)CCN;RNLGCLHXOZIWRT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297096;MM297096;C=C(F)C(C)N(C)NC=N;AIOUIIGWDMJUKG-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297097;MM297097;C=CCC(C)=C(F)CCF;PMVGPJBGPMRIJJ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297098;MM297098;C=CCC(C)N(C)C(C)=N;HBTFNJZOMJKNTQ-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297099;MM297099;C=CCC(C)=C(C)CNC;CVNFSVWPVARXPV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297100;MM297100;C=CCC(C)N(C)C(C)=O;AHRIXKQVDPEITJ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297101;MM297101;CNCC(C)=C(C)CC#N;DFVVMJWANDTEQB-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297102;MM297102;CC(CC=O)N(C)C(=N)N;HQPTYGBGWVXGOE-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297103;MM297103;C=CCC(F)=C(C)CNC;ZIIYSLAHMBEXLE-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297104;MM297104;C=CCC(C)N(N)C(C)=N;NFCLAPKNXZYDTI-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297105;MM297105;COCC(C)=C(C)CC=O;SKWXOLXYELKQTB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297106;MM297106;C=CCC(C)N(N)C(C)=O;CCXSZFFGJWVJHS-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297107;MM297107;COCC(F)=C(F)CC#N;SQCFDSVAENATEH-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297108;MM297108;C=CCC(C)N(O)C(C)=N;VNUGDWSCCQSJFP-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297109;MM297109;CC(CCN)=C(C)NC=O;PQGCMOUMNNRAEO-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297110;MM297110;CC(=N)N(O)C(C)CC=O;ZKTJZDZCXRIDBK-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297111;MM297111;CC(CCF)=C(C)NC=N;JRAUGMCFMCHWOC-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297112;MM297112;CC(CC=O)N(O)C(=N)N;XXHWVFYQDHEVPL-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297113;MM297113;CC(NC=N)=C(F)CCF;XAGFIQOYUHKIJL-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297114;MM297114;C=CC(=C)C(C)(C)NC=O;FNBPSLJUUZIDAS-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297115;MM297115;CC(NC=O)=C(F)CCF;FWOASTVVULMJAO-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297116;MM297116;C=CCC(C)(C=C)NC=O;LSNARKWOEAMUIY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297117;MM297117;CNCC(C)=C(C)NC=N;GKOQTLABCGWMCO-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297118;MM297118;C#CCC(C)C(C)C(=C)C;QTMCATLZUCNOMF-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297119;MM297119;COCC(C)=C(C)NC=O;RSDYMBDCGKFSJE-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297120;MM297120;C#CCC(C)C(C)C(=N)N;CGYGDLHCTWAVLQ-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297121;MM297121;COCC(F)=C(C)NC=N;LFXOGOIEPXDQEF-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297122;MM297122;C#CCC(O)C(C)C(C)=O;HNAXMQWSQOQGEE-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297123;MM297123;COCC(F)=C(C)NC=O;JNWRJGZRAJADDZ-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297124;MM297124;C#CCC(F)C(C)C(N)=O;HCRNJZKKMARSQB-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297125;MM297125;CC(CCN)=C(C)OC=O;FIMJMYBGXSQZSP-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297126;MM297126;C#CCC(F)C(C)C(=O)O;VULLEKAPRHZRDI-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297127;MM297127;CCCC(F)=C(C)OC=O;AZANDWZJUJTLAL-UHFFFAOYSA-N;146.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297128;MM297128;C#CCC(C)C(N)C(=C)F;YWUZBGVLWPKMNW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297129;MM297129;C=COC(C)=C(C)COC;PJMKHRPHQYUBCH-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297130;MM297130;C#CCC(O)C(N)C(=N)N;RFECACZHFNHSHJ-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297131;MM297131;C=CCC(C)=C(C)OCC;JYFAJKGJZSGJAP-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297132;MM297132;C#CCC(C)C(O)C(C)=O;QSCKCAZPANJLTE-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297133;MM297133;CCOC(C)=C(C)NC=N;AEYGBCLRPNKZNS-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297134;MM297134;CC=Cc1oc(=O)oc1O;VQDWUQYUEYVCAU-UHFFFAOYSA-N;142.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297135;MM297135;C=COC(C)=C(C)OCC;NIUZCJKHVQOHED-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297136;MM297136;C#CCC(N)C(O)C(=C)C;JWTFXXAPXSGKCV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297137;MM297137;C#CCC(C)=C(C)CCC;OTUZYKLCPREISM-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297138;MM297138;C#CCC(N)C(O)C(=N)N;BGDNMUPJGGXBQK-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297139;MM297139;C#CCC(C)=C(C)CCN;ZCZSXBIOQWKPJR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297140;MM297140;C#CCC(O)C(O)C(=N)N;OSZDNNHKZLKZMH-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297141;MM297141;C#CCC(F)=C(C)CCN;FCAUGJKAZHHLGO-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297142;MM297142;C#CCC(O)C(O)C(N)=O;MABNAKYIRUCAMG-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297143;MM297143;C#CCC(C)=C(F)CCC;LZDYRTUCCSYNPY-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297144;MM297144;C#CCN(C)C(C)C(=N)N;CWPGRGHVQHZRBK-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297145;MM297145;C#CCC(C)=C(F)CCN;OMISXUFQAMKGLM-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297146;MM297146;C#CCC(C)N(C)C(C)=N;MIVSEZDELMVEMF-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297147;MM297147;C#CCC(C)=C(F)CCF;JTTHCCVDFWWFMV-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297148;MM297148;C#CCC(C)N(C)C(=N)N;GVZFCGDXGBGNDG-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297149;MM297149;C#CCC(C)=C(C)CNC;FBAMBMYPMWBPKQ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297150;MM297150;CC(C=CF)CCC(N)=O;OYRQBJMMNXPYFQ-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297151;MM297151;C#CCC(F)=C(C)CNC;IVIFVAOGXAKWMU-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297152;MM297152;C=C(CCN)C(C)C(C)C;UOENVNDSSPIINC-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297153;MM297153;C#CCC(F)=C(C)OCC;FOAYPKIHGAVDHI-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297154;MM297154;C=C(CCF)C(C)C(C)N;FEVPMUNGVWJMOQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297155;MM297155;C=CCC(C)=C(C)CC=O;LYYBSWPUNZRZGA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297156;MM297156;CC=CC(=O)C=CC(N)=O;ZWFQBZADRBGTQF-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297157;MM297157;CC(CC=O)=C(C)CC=O;WJEHFQJSXZJKIL-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297158;MM297158;C=C(CCN)C(C)C(C)O;LZFDBEPANTYKDA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297159;MM297159;CC(CC#N)=C(C)CC=O;UFZRIHAMKXJCOB-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297160;MM297160;C=C(CCN)C(C)C(C)F;XLPNHVIQVJBZAY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297161;MM297161;C=CCC(C)=C(F)CC=C;HVKCPRFYZVUQSA-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297162;MM297162;C=C(CCN)C(C)C(F)F;YAWVRDBHLICNGL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297163;MM297163;C=CCC(C)=C(F)CC=O;SQCYVIKNRPCQHJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297164;MM297164;CC(C)C(C)C(=O)CCF;FCIDFHDXFGXNBW-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297165;MM297165;C=CCC(F)=C(C)CC=O;SCHWFPSSDOKPQT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297166;MM297166;CC(F)C(C)C(=O)CCF;DAOSYIQOSKTPKD-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297167;MM297167;CC(CC=O)=C(F)CC=O;LDKKYJDWOZRYJG-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297168;MM297168;CC(C(=O)CCO)C(F)F;QECGHUHFWVDGPO-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297169;MM297169;CC(CC#N)=C(F)CC=O;SKIZXQYWUGVBBU-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297170;MM297170;C=C(CCC)C(N)C(C)C;NMAVXJIWQZKNLI-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297171;MM297171;N#CCC(F)=C(F)CC#N;QVLMEWUSLUGINA-UHFFFAOYSA-N;142.11;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297172;MM297172;C=C(CCF)C(N)C(C)C;SKYNIQDWYIYFRF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297173;MM297173;CC(CC#N)=C(C)NC=O;IUUBXPJBFOCXMN-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297174;MM297174;C=C(CCF)C(N)C(C)N;YZBYZPDWZDBQAO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297175;MM297175;C=CCC(F)=C(C)NC=O;ZVJJRZQUHVVMNN-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297176;MM297176;C=C(CCC)C(N)C(C)F;WPINEPCAXPTGCW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297177;MM297177;C=CCC(C)=C(C)OC=C;BWJXQZGMVDPXAK-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297178;MM297178;C=C(CCN)C(N)C(C)F;SQUYGSCOFIFCRA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297179;MM297179;C=CCC(C)=C(C)OC=O;ZKFMFRXVVBBKLD-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297180;MM297180;C=C(CCF)C(N)C(C)F;CMXOQJIRHYJGMV-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297181;MM297181;CC(CC#N)=C(C)OC=O;SQCVUVOJVXKGFQ-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297182;MM297182;C=C(CCN)C(O)C(C)C;SNQJWUPLSKAWBM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297183;MM297183;C=COC(C)=C(C)NC=N;UZNHRTNPZIAZKQ-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297184;MM297184;C=C(CCC)C(O)C(C)N;PPQAIMIDABVITB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297185;MM297185;C=COC(C)=C(C)OC=C;RGXYQCLCOCMTBO-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297186;MM297186;C=C(CCO)C(O)C(C)N;YJIUHDLJCDNVSU-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297187;MM297187;CC(OC=O)=C(C)OC=O;ILYPUPOPIJHACY-UHFFFAOYSA-N;144.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297188;MM297188;C=C(CCO)C(O)C(C)O;MHPYTEZJYAMELH-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297189;MM297189;C#CCC(C)=C(C)CC=O;HZAJEAQSZSCUQZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297190;MM297190;C=C(CCF)C(O)C(C)O;CUMIKANPWFIAJO-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297191;MM297191;C#CCC(F)=C(C)CC=O;SFPQEIYOFYASCR-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297192;MM297192;C=C(CCN)C(O)C(C)F;DXQBYRFCFFUMPU-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297193;MM297193;C#CCC(C)=C(F)CC=C;HKBRXNCTGVJYPS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297194;MM297194;C=C(CCN)C(O)C(F)F;HLXBQEYPGMSFNL-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297195;MM297195;C#CCC(C)=C(F)CC=O;YHORVCMHHRRQSP-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297196;MM297196;CC(C)C(O)C(=O)CCO;FYIDBRPVVLKDES-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297197;MM297197;C#CCC(C)=C(C)NC=N;TZDQOOXALYSGCX-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297198;MM297198;CC(O)C(O)C(=O)CCO;DKJDDXJJYXHLFR-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297199;MM297199;C#CCC(C)=C(C)NC=O;XCLMVUDAUHCDGF-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297200;MM297200;O=C(CCO)C(O)C(F)F;UCEBPZHCMCPXCD-UHFFFAOYSA-N;154.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297201;MM297201;C#CCC(F)=C(C)NC=N;RNAQXDJIWDVSGF-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297202;MM297202;C=C(CCF)C(F)C(C)N;YHLVRALJCHCJOW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297203;MM297203;C#CCC(F)=C(C)NC=O;SFPXKQSCJKRNEP-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297204;MM297204;CC(C)C(F)C(=O)CCF;LCZOPDDYMBUDCG-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297205;MM297205;C#CCC(C)=C(C)CC#C;SPKLPXSVMKEAHT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297206;MM297206;C=C(CNC)C(C)C(C)C;SOXMKEJXOXISGY-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297207;MM297207;CC(C=CF)=C(C)CCN;AFMNLGXJNYTPJR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297208;MM297208;C=C(CNC)C(C)C(C)F;NPYFUWYQUJFTPS-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297209;MM297209;CC(C=CF)=C(C)CCF;MHYICZBTDCMXFS-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297210;MM297210;C=C(CNC)C(C)C(F)F;IARIYDUHJSZFHR-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297211;MM297211;CC=CC(F)=C(C)CCN;BKAABEZQVKZGCD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297212;MM297212;C=C(CNC)C(N)C(C)F;NWOQQAXCVYEUIO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297213;MM297213;CC(CCN)=C(F)C=CF;OFICCWZKASQHEE-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297214;MM297214;C=C(CNC)C(O)C(C)N;LNUKSGOXYDXUJF-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297215;MM297215;CC=CC(C)=C(F)CCN;VTSIUMNECKTFJG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297216;MM297216;C=C(CNC)C(O)C(F)F;STTGEZLREIKXCP-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297217;MM297217;CC(C=CF)=C(F)CCN;UTGQQHQZSCAFAL-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297218;MM297218;C=C(CNC)C(F)C(C)O;DVQMCSDPKWUSHS-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297219;MM297219;CC(C=CF)=C(F)CCF;FXDXQYUCYXRJNL-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297220;MM297220;COCC(=O)C(O)C(C)F;YGFOQBGTWSHGNO-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297221;MM297221;NCCC(F)=C(F)C=CF;TVLFCABINOBMBE-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297222;MM297222;CCNC(=N)C(C)C(C)F;CMETZGYNUBCHJB-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297223;MM297223;CC(C=NN)=C(C)CCF;WQZAXTREQWYJDE-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297224;MM297224;CC(=O)C(C)=C(C)C(N)=O;PXAHRJIQOUUINK-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297225;MM297225;CC(C=NO)=C(C)CCF;WGHRQUNIKFMURQ-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297226;MM297226;CCNC(=N)C(O)C(C)C;DHXKIDCFXHGVCV-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297227;MM297227;CC(C=NO)=C(F)CCN;VPWOTXDMGRGAEP-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297228;MM297228;CCNC(=N)C(O)C(C)O;GEYYKKNOFPPVKW-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297229;MM297229;CC=CC(C)=C(C)CNC;WJWFQOYFMLTCNY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297230;MM297230;CCNC(=O)C(F)C(C)C;VHRCSQOHSHBRCR-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297231;MM297231;CNCC(C)=C(C)C=CF;UHFPCOOJMPPEEP-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297232;MM297232;CC(=CCCC(N)=O)CO;DPOPYVLAADOQCI-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297233;MM297233;CC=CC(F)=C(C)CNC;GNBIMMFVNWAMEW-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297234;MM297234;CNNC(=N)C(O)C(C)N;GZNCZHKLKHHSHE-UHFFFAOYSA-N;146.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297235;MM297235;CNNC(=N)C(O)C(C)O;SRNQRJPTZWXWHF-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297236;MM297236;CNCC(C)=C(F)C=CF;RJPKJCHSQJUYEE-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297237;MM297237;CNCC(C)=C(C)C=NN;SXIFLWOQJDJPPD-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297238;MM297238;NC(=O)CCCCC=CF;GPVNXFVLYXJGBL-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297239;MM297239;CNCC(N)=C(C)C=NO;OECLNRMBBQMTCO-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297240;MM297240;CNNC(=O)C(O)C(F)F;HOCVHUKCASIGIZ-UHFFFAOYSA-N;154.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297241;MM297241;COCC(N)=C(F)C=NN;CPYSOIKHMPOSPN-UHFFFAOYSA-N;147.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297242;MM297242;C#CCC(=C)CCNC=O;RZSWJRVEHJBGHE-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297243;MM297243;COCC(F)=C(F)C=NN;KCOQMPRHZUHRQA-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297244;MM297244;CNNC(=O)C(F)C(C)O;KEGFSQKJXQIUQI-UHFFFAOYSA-N;150.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297245;MM297245;CCNC(=N)C(C)=CNN;FSKSWYPZZQTCLZ-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297246;MM297246;CONC(=N)C(C)C(C)O;SFCFQEAPXSJGNZ-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297247;MM297247;CCNC(=N)C(C)=CNO;FGOOXMPHUSSCPG-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297248;MM297248;CCOC(=O)C(O)C(C)N;AMRCJIKFUHUEIT-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297249;MM297249;C=NNC(C)CNC(C)=O;WTQITEATNZUWEE-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297250;MM297250;CCOC(=O)C(O)C(F)F;VXIGGQBJVRJJDP-UHFFFAOYSA-N;154.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297251;MM297251;C=CCC(C)=C(C)C=CF;ZQFVSZIRFCWYPO-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297252;MM297252;C=C(CCC)C(C)N(C)C;BUFHLYRJLLLMIT-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297253;MM297253;CC=CC(C)=C(C)CC=O;BHGDFYAMAOBLFH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297254;MM297254;CCCC(=N)N(C)C(C)C;UUBZKENMABUPAG-UHFFFAOYSA-N;142.25;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297255;MM297255;CC(C=CF)=C(C)CC=O;SALPMNAEEVBWGD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297256;MM297256;CC(C)N(C)C(=O)CCN;UXDYQRVOQYFWII-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297257;MM297257;CC(CC=O)=C(F)C=CF;VKBKIEWEXBWFOZ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297258;MM297258;CC(C)N(C)C(=O)CCO;HZYSMVUSXRZVKK-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297259;MM297259;C=CCC(F)=C(C)C=CF;FWIMEPJMGVTSFL-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297260;MM297260;CCC(C=O)=C(C)C(N)=O;ORPBZIXEEOQANN-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297261;MM297261;CC=CC(C)=C(F)CC=O;RNCAWVAFYQIAMK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297262;MM297262;CCOC(=N)N(C)C(C)C;MZEKGVYQEIESEY-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297263;MM297263;CC=CC(C)=C(F)CC#N;HQPMRKHIHISVOP-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297264;MM297264;CCOC(=O)N(C)C(C)C;QRYWEXCRQBJNFR-UHFFFAOYSA-N;145.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297265;MM297265;C=CCC(C)=C(C)C=NN;DCRNQMMMLYHPSD-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297266;MM297266;CN(C)N(C)C(=N)CCF;GKLOVYKXMXUWHB-UHFFFAOYSA-N;147.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297267;MM297267;CC(C=NN(C)C)NC=O;DUGORTGLLQOEMP-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297268;MM297268;CCCC(=O)N(C)N(C)C;PXGNTZPYKYPQLH-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297269;MM297269;CC(C=NO)=C(C)CC=O;KGZPFMXGGHCCMY-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297270;MM297270;C#CC=CCC(=C)C(N)=O;GGZWQOZHTGTBBN-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297271;MM297271;CC(C=NO)=C(C)CC#N;LTKZPTOIJXSETC-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297272;MM297272;COCC(=N)N(C)N(C)C;KDSYCUZZDKLMID-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297273;MM297273;C=CCC(C)=C(F)C=NN;BHQPSUCEFSGKMD-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297274;MM297274;C=NNC(=CC#N)NN=C;FZZUMBVZFWEGLA-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297275;MM297275;C=CCC(N)=C(F)C=NN;XQMMJPMRHJPLSJ-UHFFFAOYSA-N;143.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297276;MM297276;C=C(CC=O)C(C)C(C)C;YAEYKIMUEXWHKL-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297277;MM297277;CC(C=CF)=C(C)NC=O;KJXXPVPZVOPKQF-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297278;MM297278;C=C(CC#N)C(C)C(C)C;YXLQLROGLDXNTN-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297279;MM297279;CC=CC(F)=C(C)NC=N;BKFGCPNOFHPDHP-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297280;MM297280;C=CCC(=C)C(C)C(C)N;FAUPTAYEXKFPLO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297281;MM297281;CC=CC(F)=C(C)NC=O;PEZMXVCUYZCAGH-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297282;MM297282;CCC=C(CC=O)C(N)=O;GHTNHXIZDXCZGX-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297283;MM297283;C=CCC(=C)C(C)C(F)F;JNNGLQMGRDIPSZ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297284;MM297284;CC(C=CC(N)=O)OC=O;AGLKUDHPYAWOKE-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297285;MM297285;C=CCC(=O)C(C)C(C)F;ROJHCHLZSCWPSU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297286;MM297286;CC=CC(C)=C(C)OC=O;CJIOHJPQMAFOFE-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297287;MM297287;C=CCC(=C)C(N)C(C)C;VSJSGPNRPHQYDZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297288;MM297288;CC(C=CF)=C(C)OC=O;WSKNJANDQMZOQK-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297289;MM297289;NC=C(C=O)CCC(N)=O;CVIDUXJRBXKCRD-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297290;MM297290;CC(C=NN)=C(C)OC=O;SHDSVHNCRLIPKE-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297291;MM297291;CC(O)C(O)C(=O)CC#N;XRYDKOQCQTWBHR-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297292;MM297292;CC(C=NO)=C(C)OC=O;NSGFNLRQXRCDHV-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297293;MM297293;C=CCC(=O)C(O)C(F)F;SPARXFIZRUWTFJ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297294;MM297294;C#CCC(C)=C(C)C=CF;SDAHOHGTBLDULO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297295;MM297295;C=C(CC=O)C(F)C(C)C;YWDRCGPSACAIKE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297296;MM297296;C#CCC(C)=C(F)C=CF;SQCYOHSQACNFHL-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297297;MM297297;C=CCC(=O)C(F)C(C)C;PHCICIMHYKACDV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297298;MM297298;C#CCC(F)=C(C)C=CF;LJYCXOLFKFKZMQ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297299;MM297299;C=C(NC=O)C(C)C(C)C;BFERVCLHHPSVDH-UHFFFAOYSA-N;141.21;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297300;MM297300;C#CCC(C)=C(C)C=NN;ZOCUZLKMUGRKFW-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297301;MM297301;C=C(NC=N)C(C)C(C)N;UNKRQECHYSCSFQ-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297302;MM297302;C#CCC(C)=C(C)C=NO;IIBCPZAZDNQOQC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297303;MM297303;CC(C)C(C)C(=N)NC=N;TXAFGPTVTAASIL-UHFFFAOYSA-N;141.22;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297304;MM297304;C#CCC(C)=C(F)C=NN;AMLFZJLRMFTMTQ-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297305;MM297305;CC(N)C(C)C(=N)NC=N;SRTAPFVAGAQVQN-UHFFFAOYSA-N;142.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297306;MM297306;C=NNC(C)CC=CCO;LNIXWGHCKKSRJQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297307;MM297307;CC(O)C(C)C(=N)NC=N;HTCRDDIYAXQSSX-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297308;MM297308;CC#CC(C)=C(C)CNC;CPXYCOKFOGLGJF-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297309;MM297309;CC(C(=N)NC=O)C(F)F;PPKGAONHJGFNNG-UHFFFAOYSA-N;150.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297310;MM297310;CC#CC(C)=C(F)COC;CYPHJXTWYNFFCC-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297311;MM297311;CC(O)C(C)C(=O)NC=O;NHDYSOUAEVOBKN-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297312;MM297312;CC#CC(C)=C(C)OCC;ULAUCVOVPOTCNG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297313;MM297313;CC(C(=O)NC=O)C(F)F;GOYHYAUZLDYWQJ-UHFFFAOYSA-N;151.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297314;MM297314;CC#CC(F)=C(C)OCC;VZCYSAKFTZTXFC-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297315;MM297315;C=C(NC=N)C(N)C(C)C;ZEOOOIVBALOGBV-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297316;MM297316;C=CCC(C)=C(C)C#CC;ZRNKKCXHKRMMEU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297317;MM297317;C=C(NC=O)C(N)C(C)C;WZCYUCSQOTZQJL-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297318;MM297318;CC#CC(C)=C(C)CC#N;DDJBEWXNRKBJMU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297319;MM297319;C=C(NC=O)C(N)C(C)N;QELGIQCTAGDCIN-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297320;MM297320;CC#CC(C)=C(C)NC=N;DZOLXMWLKAALFN-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297321;MM297321;CC(N)C(N)C(=N)NC=N;PHMNHISPEOKZRH-UHFFFAOYSA-N;143.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297322;MM297322;CC#CC(C)=C(C)NC=O;JMBCCKYRBVJCST-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297323;MM297323;CC(O)C(N)C(=N)NC=N;MFCSOUUASTZNDI-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297324;MM297324;C=COC(C)=C(C)C#CC;LRSWNRCCRYWSIU-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297325;MM297325;C=CNC(=N)C(N)C(C)F;CFOVPXUBRTYMKF-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297326;MM297326;C#CCC(C)=C(C)C#CC;BLDWBHFHUIIQMI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297327;MM297327;N=CNC(=N)C(N)C(F)F;ZTHSNJOLAABORC-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297328;MM297328;CC=CC(C)=C(C)C=CC;IHGNPUMAGSNQEJ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297329;MM297329;CON(C)C(=N)C(=O)CF;OQMFEANGTIDDJB-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297330;MM297330;CC(C=CF)=C(C)C=CF;JUGYQZINBWJDBA-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297331;MM297331;C=CNC(=O)C(N)C(C)C;HEUDPSTYZAWBEQ-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297332;MM297332;CC=CC(C)=C(F)C=CC;ZNMMFDQEUOZWSB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297333;MM297333;CC(N)C(N)C(=O)NC=N;DJQDJKLLYLKMMM-UHFFFAOYSA-N;144.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297334;MM297334;CC=CC(C)=C(C)C=NN;NPUVNFWGQHJPIE-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297335;MM297335;CC(N)C(N)C(=O)NC=O;WEQPRWDSDGWHBZ-UHFFFAOYSA-N;145.16;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297336;MM297336;C=C(C(N)=O)N(C)C=NN;DEOSEPIWLVTCII-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297337;MM297337;NC(C(=O)NC=O)C(F)F;XQEMRLBICXUETG-UHFFFAOYSA-N;152.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297338;MM297338;CC(C=CF)=C(C)C=NN;WCHCGNYPEZORBG-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297339;MM297339;C=C(NC=N)C(O)C(C)O;COHUJCXEUVMCBT-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297340;MM297340;CNN=CC(C)C=CCO;VHHNOCMJKPIWAP-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297341;MM297341;C=CNC(=N)C(O)C(C)N;UOLNPOKVCHQUNT-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297342;MM297342;CC(C=NO)=C(C)C=NO;KYUQDYOURFNXKK-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297343;MM297343;CC(N)C(O)C(=N)NC=N;WMJIYOSGOPXVNX-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297344;MM297344;CC#CC(C)=C(C)C=CC;CUVDVXJKXLYKRZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297345;MM297345;CC(N)C(O)C(=N)NC=O;VALCMNYRGQTNHW-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297346;MM297346;CC#CC(C)=C(C)C=CF;FUZOTVOHRBMMBH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297347;MM297347;C=CNC(=N)C(O)C(C)O;KOXOPWMRRNWWQZ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297348;MM297348;CC#CC(C)=C(F)C=CC;SMVYIHSEOLWIFX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297349;MM297349;CC(O)C(O)C(=N)NC=N;WJBMPFKSNRRRHE-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297350;MM297350;CC#CC(F)=C(F)C=CC;KBEVCVMSDISYDS-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297351;MM297351;CC(O)C(O)C(=N)NC=O;ZVNBKDKFOPGFAZ-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297352;MM297352;CC#CC(C)=C(C)C=NO;RTDLVJZMZBJHBS-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297353;MM297353;CC(F)C(O)C(=N)NC=N;YAVHCLFJMFOZLL-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297354;MM297354;CC#CC(C)=C(C)C#CC;YPCIJIWZZWUNJN-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297355;MM297355;N=C(NC=O)C(O)C(F)F;VHKKZTKCESQVRQ-UHFFFAOYSA-N;152.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297356;MM297356;CC#CC(C)=C(F)C#CC;DCPBAJFZGMKSAY-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297357;MM297357;C=CNC(=O)C(O)C(C)O;AACREQFKYPGPQH-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297358;MM297358;CC#CC(F)=C(F)C#CC;ZVBBAAFXYSBBNW-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297359;MM297359;CC(O)C(O)C(=O)NC=O;NUNGVKURLTVOGO-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297360;MM297360;CCC(CN)C(C)C(C)N;NHBAYZFPBHHIKQ-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297361;MM297361;C=C(NC=N)C(F)C(F)F;YYNVCOMLDMKXIS-UHFFFAOYSA-N;152.12;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297362;MM297362;CC(N)C(C)C(CN)CF;STFCMWDEPOFSRR-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297363;MM297363;CC(N)C(F)C(=N)NC=N;MSCYBZQMKFQFHJ-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297364;MM297364;CC(N)C(C)C(CF)CF;VBRVOXKUGVMAKU-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297365;MM297365;CC(O)C(F)C(=N)NC=N;SIAIZDSACKMIAO-UHFFFAOYSA-N;147.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297366;MM297366;CCC(CN)C(C)C(C)O;OPHOGFFRKJNUHA-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297367;MM297367;CC(O)C(F)C(=N)NC=O;MFKAREAFKGLOKL-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297368;MM297368;CC(O)C(C)C(CO)CF;QBWFHUBAEWALMF-UHFFFAOYSA-N;150.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297369;MM297369;CC(C)C(F)C(=O)NC=O;KZSHCHNTUFFKLO-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297370;MM297370;CC(C(F)F)C(CN)CN;FCNYZRXHFKJWAN-UHFFFAOYSA-N;152.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297371;MM297371;CC(O)C(F)C(=O)NC=N;RYZDAKBEKXMXLC-UHFFFAOYSA-N;148.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297372;MM297372;CC(C(F)F)C(CO)CO;ODWCBLIGKCPFPY-UHFFFAOYSA-N;154.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297373;MM297373;CC(O)C(F)C(=O)NC=O;ADEQERNAYLZNHU-UHFFFAOYSA-N;149.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297374;MM297374;CCC(CN)C(N)C(C)C;VFBMXJCWMDULFC-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297375;MM297375;CNN=CCCC(=O)CF;CJBLGDVOSXHFNS-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297376;MM297376;CCC(CO)C(N)C(C)C;BEXOMZKHQYMNSD-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297377;MM297377;C=NNC(=O)C(N)C(C)N;VDXRRZPLHWUOCE-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297378;MM297378;CC(C)C(N)C(CN)CF;KHTVDBVVSMLYLM-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297379;MM297379;C=NNC(=O)C(O)C(C)N;GGIOXVHRMXBFTC-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297380;MM297380;CC(C)C(N)C(CF)CF;PUTAOORJIOAEOT-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297381;MM297381;C=COC(=O)C(C)C(C)O;YNFWXEXAACLXFS-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297382;MM297382;CCC(CF)C(N)C(C)N;NDYHHZSWAGCWQP-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297383;MM297383;C=COC(=C)C(N)C(C)N;PRUYMPMOZNPWGR-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297384;MM297384;CCC(CC)C(N)C(C)O;RBPBSABHBMDVTK-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297385;MM297385;C=C(OC=O)C(O)C(C)N;CUHVESUWLQMDGC-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297386;MM297386;CC(O)C(N)C(CO)CO;YKZGRORGBJWRNQ-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297387;MM297387;C=C(OC=O)C(O)C(F)F;CZEURLLSWCTGNR-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297388;MM297388;CCC(CF)C(N)C(C)F;HKOVWAWMANZYGC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297389;MM297389;C=COC(=O)C(O)C(C)N;KCBNILTXCPCXHU-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297390;MM297390;NCC(CO)C(N)C(F)F;NBWDSMFKEVJLEO-UHFFFAOYSA-N;154.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297391;MM297391;C=COC(=O)C(O)C(C)F;ZGCMZLMMMITLPW-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297392;MM297392;CCC(CC)C(O)C(C)N;BWTUXGPMECDDLC-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297393;MM297393;C=COC(=O)C(O)C(F)F;UQSMRZBFCJVXCQ-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297394;MM297394;CC(N)C(O)C(CO)CO;XMLPPBWUXXNLTJ-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297395;MM297395;C=NOC(=O)C(O)C(C)N;XTUYPOZDVVXCCD-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297396;MM297396;CC(O)C(O)C(CN)CO;LIHOUXNUMAUODV-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297397;MM297397;C=NOC(=O)C(O)C(C)O;LBJRZMGGMBNGHI-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297398;MM297398;CC(O)C(O)C(CO)CF;UQIQJHASPJGOPG-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297399;MM297399;C=C(CC=O)C(C)N(C)C;UZORVRGYOLOAMM-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297400;MM297400;OCC(CO)C(O)C(F)F;QIZKCGLFXFONGE-UHFFFAOYSA-N;156.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297401;MM297401;CC(C)N(C)C(=O)CC=O;QPFLTXCEJTVCOU-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297402;MM297402;CC(C)C(F)C(CN)CF;IKFVVNHVOQPFSD-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297403;MM297403;CN(C)N(C)C(=O)CC=O;OAJOLYKHPWXWPY-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297404;MM297404;CC(C)C(F)C(CO)CO;MQLYADZXAGERLM-UHFFFAOYSA-N;150.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297405;MM297405;C=CNC(=N)N(C)N(C)C;IJVKSKJGNKQZKE-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297406;MM297406;CC(F)C(F)C(CN)CN;ZIUZQPPAXWLBQP-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297407;MM297407;CN(C)N(C)C(=N)NC=O;TXZCBTVKVIAUNP-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297408;MM297408;CC(F)C(F)C(CN)CO;FUUMJRZFSPANFH-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297409;MM297409;CCC(C(N)=O)=C(C)C=O;YOUJGRAIIPIYMQ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297410;MM297410;CCC(NC)C(C)C(C)N;IDZUBGPWVVBENN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297411;MM297411;CCOCC(=CN)C(N)=O;PTEBDMPNMFGWNL-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297412;MM297412;CCC(NC)C(C)C(C)F;VPGDABMVAVINHL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297413;MM297413;C#CCC(=C)C(C)C(C)C;VEIOQLPFWKATOE-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297414;MM297414;CNC(CF)C(C)C(C)F;YENGRRJSZLEYQQ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297415;MM297415;C#CCC(=C)C(C)C(C)N;XLOYEUQWRFUEQQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297416;MM297416;CNC(CF)C(C)C(F)F;PQUZCCJAUUVZNS-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297417;MM297417;CCC(=CCC=O)C(N)=O;MBLQZGJCGXHYMZ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297418;MM297418;CCC(NC)C(N)C(C)C;YZERFUSLILSTPC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297419;MM297419;C#CCC(=C)C(C)C(C)F;MKIYNEKNFNKOBE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297420;MM297420;CNC(CF)C(N)C(C)C;ULJVWYOUEHZJFR-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297421;MM297421;C#CCC(=O)C(C)C(C)C;YAURAXRNCLITHB-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297422;MM297422;CCC(NC)C(N)C(C)F;XSJOKORGTZMSHO-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297423;MM297423;C#CCC(=O)C(C)C(C)F;PKXDVOKXCNGVKK-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297424;MM297424;CNC(CO)C(O)C(C)C;LFYOFTRXYAAJEY-UHFFFAOYSA-N;147.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297425;MM297425;C#CCC(=C)C(N)C(C)F;JJOCRRVBCFHNSP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297426;MM297426;CCC(NC)C(O)C(C)O;CSKFBKKHBKAWQZ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297427;MM297427;C#CCC(=C)C(O)C(C)O;VHUGTGMCFRJCQZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297428;MM297428;CNC(CO)C(O)C(C)O;YLLBLWZZYGMYEP-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297429;MM297429;C#CCC(=C)C(O)C(F)F;WXWYDZBPQPWCCP-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297430;MM297430;CNC(CO)C(O)C(F)F;LKRRQVVIDHIYTB-UHFFFAOYSA-N;155.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297431;MM297431;C#CCC(=C)C(C)N(C)C;CYFKYSRPGHNEIL-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297432;MM297432;COC(CO)C(C)C(C)N;UKDTYDXLYDAANN-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297433;MM297433;C#CCC(=N)N(N)C(C)C;OHHPFAIVGSJWEH-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297434;MM297434;COC(CO)C(C)C(C)O;PUHTYPFJHRXISI-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297435;MM297435;C#CCC(=N)N(C)N(C)C;XUBQYABLAGIIOY-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297436;MM297436;COC(CN)C(C)C(F)F;LKYKNZLCHOTDDR-UHFFFAOYSA-N;153.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297437;MM297437;C#CCC(=O)N(C)N(C)C;CGLZEEGXOCBLPT-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297438;MM297438;COC(CO)C(C)C(F)F;JJQVKXYBIFKLIY-UHFFFAOYSA-N;154.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297439;MM297439;C=C(C)C(C)C(=C)CCN;APZWHMZJKBSSRS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297440;MM297440;COC(CO)C(N)C(C)C;RLJAFKXNRNFALW-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297441;MM297441;C=C(CCF)C(C)C(C)=O;CDHKVZDRTCJBBS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297442;MM297442;COC(CN)C(O)C(C)C;WRPPRPVRFSOQKU-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297443;MM297443;C=C(CCN)C(C)C(=N)N;RFGAGNKLMSSVFJ-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297444;MM297444;COC(CO)C(O)C(C)C;LDCDMKKDZDELSP-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297445;MM297445;CNN=C(C)C(C#N)NC;VEEXYPKNMCUYLV-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297446;MM297446;COC(CO)C(O)C(C)N;LFNGQOBEEGSXBI-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297447;MM297447;CCC(OC)C(O)C(C)O;NXQJUDIMGHKHDJ-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297448;MM297448;C=C(CCF)C(C)C(N)=O;MWWHBENZJPBFJS-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297449;MM297449;COC(CN)C(O)C(C)O;CXYGYZNQRFZWGR-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297450;MM297450;C=C(CCC)C(C)C(=O)O;ISZXJXUZEPNGIN-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297451;MM297451;COC(CO)C(O)C(C)O;WIYNLSYNQBMCPB-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297452;MM297452;C=C(CCF)C(C)C(=O)O;YLRRULUWUDIWIX-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297453;MM297453;CCC(OC)C(O)C(C)F;SLJHARMKZRGFFG-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297454;MM297454;C=C(F)C(C)C(=C)CCN;QZANSZSHXFYFFA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297455;MM297455;COC(CO)C(O)C(F)F;WOZKDYZSVUFCDN-UHFFFAOYSA-N;156.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297456;MM297456;C=C(C)C(C)C(=O)CCF;VWRYKCVJMGNUKI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297457;MM297457;COC(OC)C(C)C(C)C;OUOBNGLOBCXRQE-UHFFFAOYSA-N;146.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297458;MM297458;CC(C(=N)N)C(=O)CCF;YWERZVJURUHCLB-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297459;MM297459;COC(OC)C(C)C(C)F;IODRJMOREXAVHK-UHFFFAOYSA-N;150.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297460;MM297460;C=C(F)C(C)C(=O)CCF;WDTWTNDMSNEAPM-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297461;MM297461;COC(OC)C(N)C(C)C;LITRTDWQDVCBJA-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297462;MM297462;C=C(C)C(N)C(=C)CCO;LWMWOHHSKTUDRK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297463;MM297463;COC(OC)C(O)C(C)N;ILUMAXUVWXYFBK-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297464;MM297464;C=C(C)C(N)C(=C)CCF;LEKDTLNAROTKEJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297465;MM297465;COC(OC)C(O)C(C)O;PMRKNFMHJMCSQV-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297466;MM297466;C=C(CCF)C(O)C(=N)N;WOCQMMVYXIOWGT-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297467;MM297467;COC(OC)C(O)C(F)F;WPSWRHLXGXSHQH-UHFFFAOYSA-N;156.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297468;MM297468;C=C(CCO)C(O)C(N)=O;NVSPEVCCYUMDKN-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297469;MM297469;CCC(CC)C(C)N(C)C;QMNYBNDAVRRZTQ-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297470;MM297470;COn1cnnc(O)c1=O;QZKQRKJPSGIBID-UHFFFAOYSA-N;143.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297471;MM297471;CCC(CF)C(C)N(C)C;DTEAKVPWFKCDED-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297472;MM297472;C=C(C)C(O)C(=O)CCC;BJRHJPJAGLESOR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297473;MM297473;CC(C(CF)CF)N(C)C;NJXVODIHGDUPME-UHFFFAOYSA-N;151.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297474;MM297474;CC(=O)C(O)C(=O)CCO;PYKSIKHWBUKGDK-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297475;MM297475;COC(CN)C(C)N(C)C;ORKNICFNHISXFG-UHFFFAOYSA-N;146.23;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297476;MM297476;CCCC(=O)C(O)C(=N)N;MYGCEJUFPMWBCT-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297477;MM297477;CCN(CC)C(C)C(C)C;NDBIVYRNOHBUKT-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C3";;;;;;;3.9;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297478;MM297478;N=C(N)C(O)C(=O)CCO;XAIFYOARKZXXKP-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297479;MM297479;C=CC(CC)C(C)C(C)C;XTSUMAFYAACQOK-UHFFFAOYSA-N;140.27;3.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297480;MM297480;CCCC(=O)C(O)C(N)=O;JFDYNDQUBXQRQB-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297481;MM297481;CCC(C=O)C(C)C(C)C;FFMNXVAGPBANDW-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297482;MM297482;NC(=O)C(O)C(=O)CCO;GHKZLZXUCNDLTQ-UHFFFAOYSA-N;147.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297483;MM297483;CCC(=O)NCCC=NN;USPAUJLJOLFHQJ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297484;MM297484;C=C(F)C(O)C(=O)CCO;KVYUIMKLZJTYGP-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297485;MM297485;CC(C)C(C)C(C=O)CF;FMORGHYOYISPGP-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297486;MM297486;C=C(F)C(O)C(=O)CCF;VWPCHYBJEVBWMA-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297487;MM297487;C=CC(CC)C(C)C(C)N;MRJLXNSWSKEHEO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297488;MM297488;C=C(C)C(F)C(=C)CCN;XIJBUEOFQFXZNN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297489;MM297489;CC(O)C(C)C(C#N)CO;SWGQEHQKOOQAGH-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297490;MM297490;C=C(CCC)C(F)C(C)=O;ZBAOSODBPIPNJJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297491;MM297491;C=CC(CN)C(C)C(C)F;ZEHNLLBTHDDMJW-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297492;MM297492;C=C(CCF)C(F)C(N)=O;TYZWEVTYYHIHCM-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297493;MM297493;C=CC(CO)C(C)C(C)F;KTDUWEPZLWGDOP-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297494;MM297494;C=C(CCC)C(F)C(=O)O;GQRBVDOHBLWLQM-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297495;MM297495;CC(F)C(C)C(C=O)CF;QMRCAISMQVZGTH-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297496;MM297496;C=C(C)C(F)C(=O)CCC;FBFTYKDKOAHHBP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297497;MM297497;C=CC(CC)C(C)C(F)F;XAIIFINFTWYCIJ-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297498;MM297498;C=C(F)C(F)C(=O)CCO;TWHJJSJTTNPVMJ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297499;MM297499;C=CC(CN)C(C)C(F)F;OWNCENHMPQDUCW-UHFFFAOYSA-N;149.18;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297500;MM297500;C=C(C)C(C)C(=C)CNC;AMNPOQCUSRKUBJ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297501;MM297501;CC(C(F)F)C(C#N)CO;XNBWSVITIKQQAZ-UHFFFAOYSA-N;149.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297502;MM297502;C=C(CNC)C(C)C(=N)N;MQDYORXMSIDISE-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297503;MM297503;C=CC(CF)C(C)C(F)F;SJIOUOSACXWXLI-UHFFFAOYSA-N;152.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297504;MM297504;C=C(F)C(C)C(=C)CNC;VSYOIQPLGFFJBL-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297505;MM297505;C=CC(CC)C(N)C(C)C;VPQRDZYOYFKXHX-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297506;MM297506;COCC(=O)C(C)C(C)=O;MGAQRJVNQRQNGL-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297507;MM297507;C=CC(CF)C(N)C(C)C;DKFOEIOZSLVDBE-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297508;MM297508;COCC(=O)C(O)C(=N)N;JXEXAIHYBBMTKB-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297509;MM297509;C=CC(CN)C(N)C(C)N;RBCPXXHAOZLFNU-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297510;MM297510;C=C(COC)C(F)C(N)=O;NKVDXPNMYKRICW-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297511;MM297511;C=CC(CF)C(N)C(C)N;RHGCNCLETPZYQW-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297512;MM297512;C=C(C)C(C)C(=N)NCC;VRLBGSMSTZPJEW-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297513;MM297513;C=CC(CC)C(N)C(C)F;BSNQAEYNXMVSNS-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297514;MM297514;C=C(C)C(N)C(=N)NCC;JXVRYHZTFNOEHY-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297515;MM297515;C=CC(CN)C(N)C(C)F;ZGOIAOIEBAZVKM-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297516;MM297516;CCN=C(N)C(O)C(N)=O;OVUAHGLBXUMCHA-UHFFFAOYSA-N;145.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297517;MM297517;C=CC(CF)C(N)C(C)F;CQCYJXYSCGWJRE-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297518;MM297518;CCNC(=O)C(O)C(C)=O;ULHPYFUNLBBOKW-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297519;MM297519;C=CC(CO)C(O)C(C)C;URRCZMDCQOGCGR-UHFFFAOYSA-N;144.21;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297520;MM297520;CCNC(=O)C(O)C(=N)N;DIOVUYLRLGQIOA-UHFFFAOYSA-N;145.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297521;MM297521;C=C(C)C(C)C(=N)NNC;ABJNPPWFKAOVFE-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297522;MM297522;CC(C)C(O)C(C#N)CO;WTDBHBHJOACBTO-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297523;MM297523;CNNC(=N)C(N)C(=N)N;QMFIXCXFXGIPFW-UHFFFAOYSA-N;144.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297524;MM297524;C=CC(CO)C(O)C(C)O;XMHLALMEPUCCBV-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297525;MM297525;CNNC(=O)C(N)C(=N)N;JOXDMUWKEJUOCN-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297526;MM297526;CC(O)C(O)C(C=O)CO;CUUUOFGATCASME-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297527;MM297527;C#CCC1ON=C(C#C)O1;CDSVTGKMDMNHLX-UHFFFAOYSA-N;135.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297528;MM297528;CC(O)C(O)C(C#N)CO;KTZKOSSQZDTZNN-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297529;MM297529;CNNC(=N)C(O)C(=N)N;HAGZJQQZIKPXSE-UHFFFAOYSA-N;145.17;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297530;MM297530;C=CC(CF)C(O)C(C)O;YZGHSDJQUDQDNN-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297531;MM297531;CNNC(=O)C(O)C(=N)N;BONKGSZBAIVUMP-UHFFFAOYSA-N;146.15;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297532;MM297532;CC(O)C(O)C(C#N)CF;AFGIKGVXGMJUQU-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297533;MM297533;CNNC(=O)C(O)C(N)=O;RWMMQCHPXBPYOL-UHFFFAOYSA-N;147.13;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297534;MM297534;O=CC(CO)C(O)C(F)F;NRGWNHAITHKHKI-UHFFFAOYSA-N;154.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297535;MM297535;C=C(F)C(O)C(=O)NNC;GIXVBIAGNRXUOS-UHFFFAOYSA-N;148.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297536;MM297536;CCC(C=O)C(F)C(C)C;GNNRCTRKBKUUCA-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297537;MM297537;CNNC(=O)C(F)C(N)=O;SFPXITNPMNNCGI-UHFFFAOYSA-N;149.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297538;MM297538;C=CC(CN)C(F)C(C)C;DOOHQBZPOPBDBW-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297539;MM297539;CC1C(C#N)=NOC1C=O;VRWDNMYSYLCKCT-UHFFFAOYSA-N;138.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297540;MM297540;C=CC(CC)C(F)C(C)N;JOUNIJXIGYPBBV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297541;MM297541;CONC(=N)C(C)C(=N)N;SWDJGTVAATXVAB-UHFFFAOYSA-N;144.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297542;MM297542;CNC(C=O)C(C)C(C)C;LSVGFHLLWZWIAJ-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297543;MM297543;C=Cc1[nH]nc(C#N)c1N;JMLSEBKFJIFVCP-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297544;MM297544;C=CC(NC)C(C)C(C)F;WFZYXTOXBMAPMC-UHFFFAOYSA-N;145.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297545;MM297545;C=C(CC(=O)O)C(=O)NO;MMCSAJKQQHPMTA-UHFFFAOYSA-N;145.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297546;MM297546;C=CC(NC)C(C)C(F)F;VBHSIIKPKVITFX-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297547;MM297547;CN=c1nnoc(=O)[nH]1;DLOROYXONBDMID-UHFFFAOYSA-N;128.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297548;MM297548;C=CC(NC)C(N)C(C)F;BNRQDAAPQAWRES-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297549;MM297549;CONC(=N)C(O)C(=N)N;VVNYTVQMCOXANK-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297550;MM297550;C=CC(NC)C(N)C(F)F;RSGSFJDPVSHIHU-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297551;MM297551;C#CCC=CCCNC=O;ZJZOVUNOUJJLQD-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297552;MM297552;CN(C=O)CCC=CCO;GCBHNGHLCHEIIX-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297553;MM297553;CC(C)(CO)C(O)C(=O)O;OTOIIPJYVQJATP-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297554;MM297554;CC(=CF)CCCNC=O;DNUOXYWNFGXZKO-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297555;MM297555;COc1nnn(O)c1O;RHJKKCPFSVFTAF-UHFFFAOYSA-N;131.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297556;MM297556;COC(C=O)C(O)C(C)C;HZKBZEUDYJKZDL-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297557;MM297557;C=NN=C(C(=O)O)C(C)C;YBABPZCIAMDUAG-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297558;MM297558;COC(C#N)C(O)C(C)O;OSMHENDQLSGDND-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297559;MM297559;C=CC(C)(C)NC=O;MRHUQGBVYUTLPD-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297560;MM297560;C=CC(OC)C(O)C(C)F;MFMLPXYWDZWCME-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297561;MM297561;CC#Cc1[nH]nc(F)c1O;ZBTFEYZKWOIYKE-UHFFFAOYSA-N;140.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297562;MM297562;CCOC(=O)C(C)C(N)=O;KZTLCGTYMXOOFO-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297563;MM297563;COC(C#N)C(F)C(F)F;MQLLFJZSFPVBQD-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297564;MM297564;N#CC1=CC(=CO)C=N1;KCUOFQZKYVCZCQ-UHFFFAOYSA-N;120.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297565;MM297565;C=CC(CF)C(C)N(C)C;ZZPLGSDHVHZLRP-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297566;MM297566;C=C(F)C(N)C(=O)OCC;WTJOTNZALFLSNN-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297567;MM297567;CNC(C#N)C(C)N(C)C;JPHPYRJHITWYOR-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297568;MM297568;C=C(OCC)C(O)C(=N)N;JEURVFSAISIERF-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297569;MM297569;CCN(C=O)C(C)C(C)O;ANISECDXTTULEO-UHFFFAOYSA-N;145.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297570;MM297570;C#CC(=CNC)C(=O)O;RSGVQVBJHICZIC-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297571;MM297571;CC(CCC=CCO)=NN;VLQOBINKSNUTAV-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297572;MM297572;C=C(C)C(O)C(=O)OCC;ACQFOMVLRAEQCK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297573;MM297573;CNN(C=N)C(C)C(C)F;JZJBSFTYWMZSBM-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297574;MM297574;CCOC(=O)C(O)C(C)=O;BKLZHQNOJJQEBA-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297575;MM297575;CCN(C=N)N(C)C(C)C;MMKQZWUWWCBXGR-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297576;MM297576;C=C(OCC)C(F)C(N)=O;PZFTYGAZABNONU-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297577;MM297577;C#CC(CC)C(C)C(C)N;PRUSUSKTBQAENZ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297578;MM297578;C=C(C)C(F)C(=O)OCC;CHZCULFZWAKNPC-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297579;MM297579;CC=C(COC)C(=O)NC;QTCHKFUDGMVOJX-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297580;MM297580;CCOC(=O)C(F)C(C)=O;SHTFQLHOTAJQRJ-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297581;MM297581;C#CC(CO)C(C)C(C)O;UBEKPOBVYPLMOM-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297582;MM297582;C=C(CCN)N(C)C(C)=N;GCCYZPZQEWKAKL-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297583;MM297583;C#CC(CC)C(C)C(C)F;UEBLREBNWMGIQU-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297584;MM297584;C=C(CCO)N(C)C(C)=O;SAXDYZLFEUVESP-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297585;MM297585;C#CC(CF)C(N)C(C)C;ZGYOOMDTWSTHHF-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297586;MM297586;C=C(CCC)N(C)C(=N)N;RFIAJWDVDSOWJR-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297587;MM297587;C#CC(CC)C(N)C(C)O;CDBZQXMJDLJDJN-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297588;MM297588;C=C(CCO)N(C)C(=N)N;XIPQNWFLQFMXRY-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297589;MM297589;C#CC(CN)C(N)C(F)F;FGKXQEVKFLLZOD-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297590;MM297590;C=C(CCO)N(C)C(N)=O;MPOZLXSBPHPYPR-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297591;MM297591;C#CC(CF)C(O)C(C)N;QJVCRTWSMXJUIW-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297592;MM297592;C=C(C)N(C)C(=N)CCO;GVZCMIPHPKBOAI-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297593;MM297593;C#CC(CC)C(O)C(C)O;HFRQBOCYRPTOCZ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297594;MM297594;CCCC(=N)N(C)C(C)=N;SDBOOBGSUBTNIN-UHFFFAOYSA-N;141.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297595;MM297595;C#CC(NC)C(C)C(C)C;RKIVPXRIFJIEBN-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297596;MM297596;COC(C)=CC(N)=O;QSBDRCYMAZSHPD-UHFFFAOYSA-N;115.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297597;MM297597;C#CC(NC)C(C)C(C)N;QBBNPBFGXHDWRU-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297598;MM297598;CN(C(=N)N)C(=N)CCO;DXEGJRKNTUQZOV-UHFFFAOYSA-N;144.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297599;MM297599;C#CC(NC)C(N)C(C)C;KGXWNQIFJHKITA-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297600;MM297600;Nc1cc(N)c(F)[nH]1;DYLQVPTWJHFMGB-UHFFFAOYSA-N;115.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297601;MM297601;C#CC(OC)C(O)C(C)C;MQYHHOMYRMLSDN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297602;MM297602;C=C(C)N(C)C(=O)CCO;JZVCGBQILYLFCI-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297603;MM297603;C#CC(OC)C(O)C(C)N;MOGXMCAYADDCBS-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297604;MM297604;CCCC(=O)N(C)C(C)=N;UZTCMDWRQITCFP-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297605;MM297605;C#CC(OC)C(O)C(C)F;UWDDMFVAEMPBSA-UHFFFAOYSA-N;146.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297606;MM297606;CNc1cc(F)on1;HRQDQTPREFTQAD-UHFFFAOYSA-N;116.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297607;MM297607;C#CC(OC)C(C)N(C)C;VEKLVZRAQFPIOZ-UHFFFAOYSA-N;141.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297608;MM297608;CC(=O)N(C)C(=O)CCF;YRBPBAIKSAHTNY-UHFFFAOYSA-N;147.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297609;MM297609;C#CC(CC)N(C)C(C)C;QERYMNLQPUBPQW-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297610;MM297610;CCCC(=O)N(C)C(=N)N;FIEHPNUGKOHVKT-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297611;MM297611;C#CC(CO)N(C)C(C)C;FTARYTALLJHXLN-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297612;MM297612;CN(C(=N)N)C(=O)CCO;DKXCUNHWOBTRIZ-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297613;MM297613;C=CC(C=C)C(C)C(C)C;UWLDHGQIYSEYDA-UHFFFAOYSA-N;138.25;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297614;MM297614;CCCC(=O)N(C)C(N)=O;QAJSICAKUIODBC-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297615;MM297615;C=CC(C=O)C(C)C(C)C;NSEMMNOIFXBEHJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297616;MM297616;C=C(CCF)N(N)C(=N)N;XUPGTMAIAUMHHC-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297617;MM297617;C=CC(C#N)C(C)C(C)C;WJBVQYYTAOUKCW-UHFFFAOYSA-N;137.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297618;MM297618;CCC1CC1NC=O;MEINHAIMBHQKMW-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297619;MM297619;C=CC(C=C)C(C)C(C)N;UBXNOZRMPIUOAS-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297620;MM297620;CC(=N)N(N)C(=N)CCO;XYEOROWYRUHTHO-UHFFFAOYSA-N;144.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297621;MM297621;CNc1nc(=O)n(C)n1C;GLQXNOOYUMSBBV-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297622;MM297622;CCCC(=N)N(N)C(=N)N;BRSJBGHIIMIPAS-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297623;MM297623;C=CC(C=O)C(C)C(C)O;CMUDSVAWMFMRNE-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297624;MM297624;C=C(CC)CNC(C)=O;JJQDNXCTIOCZKC-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297625;MM297625;C=CC(C#N)C(C)C(C)O;VKMZFEUBHXQSGM-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297626;MM297626;CCCC(=O)N(N)C(=N)N;JKJSTVPOEPWMRT-UHFFFAOYSA-N;144.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297627;MM297627;C=CC(C=O)C(C)C(C)F;JDPMNAZPVCNJLJ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297628;MM297628;CC(C=CC(N)=O)CF;GFZSNAPRVYBNMT-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297629;MM297629;C=CC(C=C)C(C)C(F)F;GPRDSZMLUDQKLM-UHFFFAOYSA-N;146.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297630;MM297630;C#CC(C)CCNC=O;OKCMXGCEQSDQOC-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297631;MM297631;C=CC(C=O)C(C)C(F)F;NCGNOOMDBKQVCQ-UHFFFAOYSA-N;148.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297632;MM297632;C=C(CCC)N(O)C(C)=N;GSGAMJLZARSFDD-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297633;MM297633;C=CC(C=C)C(N)C(C)C;YZKPFHRIOJSOAV-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297634;MM297634;C=C(CCO)N(O)C(C)=N;YNWBDJNSANXIHD-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297635;MM297635;C=CC(C=C)C(N)C(C)F;KYWHZOVIEQLYCD-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297636;MM297636;C=C(CCO)N(O)C(=N)N;GTXXSQIDDFMEEQ-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297637;MM297637;CC(O)C(O)C(C=O)C=O;YKMHKLSKXOMBSF-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297638;MM297638;C=C(CCO)N(O)C(N)=O;YYJJAHTVAOUZMO-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297639;MM297639;CC(O)C(O)C(C#N)C=O;BCHWJVNCJCOTLU-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297640;MM297640;N=C(N)N(O)C(=N)CCO;OTPGZXRRIPIBLH-UHFFFAOYSA-N;146.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297641;MM297641;CC(F)C(O)C(C#N)C=O;WAZRZLLYKSQFDY-UHFFFAOYSA-N;145.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297642;MM297642;CCCC(=N)N(O)C(N)=O;BIPKDZIFEWDHPW-UHFFFAOYSA-N;145.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297643;MM297643;C=CC(C=O)C(F)C(C)C;PSLOGFUDHCVSNU-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297644;MM297644;N=C(CCO)N(O)C(N)=O;KKCULYLZDLNONU-UHFFFAOYSA-N;147.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297645;MM297645;C=CC(C=C)C(F)C(C)N;LEWMDFPSLQPYFL-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297646;MM297646;C=C(CNC)N(C)C(=N)N;VYYXWTKIPVURTI-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297647;MM297647;C=CC(C=C)C(F)C(F)F;JXINEOQFMNDACJ-UHFFFAOYSA-N;150.14;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297648;MM297648;CNCC(=N)N(C)C(=N)N;WJNJNGOYPBUVBY-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297649;MM297649;C=CC(C=C)C(C)N(C)C;WGBAZSHCZRRXLG-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297650;MM297650;CNCC(=N)N(N)C(C)=N;UMALSMHZVKKZLI-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297651;MM297651;CC(N)C(C)N(C=N)C=O;RWSSOAVHJSPQGR-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297652;MM297652;CNCC(=N)N(N)C(=N)N;XRYGXFGQFYLQOG-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297653;MM297653;CC(O)C(C)N(C=N)C=N;OHCBTGSGLHVVQH-UHFFFAOYSA-N;143.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297654;MM297654;CNCC(=O)N(N)C(=N)N;FCRHQHFMEABTIC-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297655;MM297655;C=NN(C=O)C(C)C(C)N;VOBFFKLYKDBFMA-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297656;MM297656;CNCC(=O)N(N)C(N)=O;KOVVVNJJHKQFED-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297657;MM297657;C=NN(C=N)C(C)C(C)F;GJAVLRAQJZYIEI-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297658;MM297658;C=C(CNC)N(O)C(=N)N;OETFDNPDHHHWBW-UHFFFAOYSA-N;144.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297659;MM297659;C=NN(C=O)C(C)C(F)F;PLBKENMLBHTZOI-UHFFFAOYSA-N;150.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297660;MM297660;CNCC(=N)N(O)C(=N)N;IZYZUBIAFHZJNZ-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297661;MM297661;C=CC(C=C)N(C)C(C)C;RHLPKRVOHOIIDK-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297662;MM297662;C=C(COC)N(C)C(N)=O;WSJJYWMEEMCJPT-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297663;MM297663;C#CC(CF)CON=CC;SXAXMCWPNPMSNV-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297664;MM297664;Nc1c(F)n[nH]c1CF;KZCUXMVKOYATLX-UHFFFAOYSA-N;133.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297665;MM297665;C#CC(C=C)C(C)C(C)C;DTGURQXWSYVWRP-UHFFFAOYSA-N;136.24;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297666;MM297666;COCC(=O)N(C)C(=N)N;ZIPGZQLGIGOUSW-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297667;MM297667;C#CC(C=O)C(C)C(C)C;ONRJCJCVFQRBHE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297668;MM297668;C=C(COC)N(N)C(C)=N;WFUILSNOPREMLK-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297669;MM297669;C=Cc1nc(NCC)c[nH]1;LRQJBXMXHSULFY-UHFFFAOYSA-N;137.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297670;MM297670;C=C(COC)N(N)C(C)=O;XXFNCKMXCKBROT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297671;MM297671;C#CC(C#N)C(C)C(C)O;WXZWUMGWIFGQEG-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297672;MM297672;C=C(COC)N(N)C(=N)N;XXPJGGIGDKPYKF-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297673;MM297673;C#CC(C=O)C(C)C(C)F;RXZRYISYUONUSH-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297674;MM297674;COCC(=N)N(N)C(=N)N;XJQAZLKHDIULBI-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297675;MM297675;C#CC(C#N)C(C)C(F)F;SHCGZFDYSUMKSQ-UHFFFAOYSA-N;143.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297676;MM297676;C#CC(C=C)C(N)C(C)C;UQTXKTJSUBTYGH-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297677;MM297677;CCC#CC(C)=CC(N)=O;MRHCECQSJVFCDN-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297678;MM297678;C#CC(C=C)C(N)C(C)N;VFPCUGXHLVNSFL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297679;MM297679;C=C(C)C(=O)NC(C)CC;SQAXECLPHAPLJM-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297680;MM297680;C#CC(C=C)C(N)C(C)F;JKSLKCVOBHDPBN-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297681;MM297681;CC(=O)NCC1(C)CC1C;ZTNOIXQNZRTAEE-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297682;MM297682;C#CC(C#N)C(O)C(F)F;GQZVSETUJPSBDH-UHFFFAOYSA-N;145.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297683;MM297683;C=C(COC)N(O)C(C)=O;FWUWNCGEIBMVJJ-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297684;MM297684;C#CC(C#N)C(F)C(C)C;HIVFXGNULVYGCS-UHFFFAOYSA-N;139.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297685;MM297685;COCC(=N)N(O)C(N)=O;TWYLQBCKSMKGDY-UHFFFAOYSA-N;147.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297686;MM297686;C#CC(C=C)N(C)C(C)C;FUUWGTNUEUQSFN-UHFFFAOYSA-N;137.23;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297687;MM297687;CCNC(=O)N(C)C(N)=O;KOKVEUYQELQVKL-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297688;MM297688;NN=CCCCC=CCO;DDXLGMXGWKCKKZ-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297689;MM297689;C=C(CO)CCCC(N)=O;RKULMPLFTUCVSB-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297690;MM297690;C#CC(C#C)C(C)C(C)N;JRTYEFDNKZNYHE-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297691;MM297691;C=CC1(CC)NC1C(N)=O;HADQKZNLTWGFPC-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297692;MM297692;CC=NNCCC=CCO;CPCIIRVEPDWVHA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297693;MM297693;C=CC1(CC(=O)NC)CC1;UHTCPLVDUSAANT-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297694;MM297694;C#CC(C#C)C(O)C(C)F;NVSXIGKOEWVSCP-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297695;MM297695;CCNC(=N)N(O)C(C)=N;VSMSSWDXNYGNPA-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297696;MM297696;C#CC(C#C)C(O)C(F)F;RCCLHWPFLHCUCO-UHFFFAOYSA-N;144.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297697;MM297697;C=C(C)N(O)C(=O)NCC;UDGLKVBRQMAGBM-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297698;MM297698;C#CC(C#C)C(C)N(C)C;RNQUNIHJNHDHSV-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297699;MM297699;CNNC(=N)N(C)C(C)=N;FQKSPQOJAJRVQB-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297700;MM297700;C=C(C)C(C)C(CC)CC;IQCDLJQBFAGEFF-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297701;MM297701;CNNC(=N)N(C)C(C)=O;CNXQRWKRGZJAID-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297702;MM297702;C=C(C)C(C)C(CC)CN;UFYGUUQMVJWMPH-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297703;MM297703;CCC1(CNC(C)=O)CC1;JCAGELLMVNNPOO-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297704;MM297704;C=C(C)C(C)C(CN)CF;YQXQLGRXEYJBDP-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297705;MM297705;CNNC(=N)N(N)C(C)=N;RJDSLNLJIQWOPD-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297706;MM297706;C=C(C)C(C)C(CF)CF;COFUQANJWVKSEW-UHFFFAOYSA-N;148.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297707;MM297707;CNNC(=N)N(N)C(C)=O;APIYQMOUAJEMST-UHFFFAOYSA-N;145.17;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297708;MM297708;CCC(CC)C(C)C(C)=O;WZVCAPFOALTDCK-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297709;MM297709;CCON=CCC(=O)CC;HJIYSFYZPZQUEK-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297710;MM297710;CC(=O)C(C)C(CF)CF;RYQGTAUQLPMBBU-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297711;MM297711;Cn1c(N)nn(C=O)c1=N;ZXJLJHALHMFRPJ-UHFFFAOYSA-N;141.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297712;MM297712;CC(C(=N)N)C(CF)CF;YYEVJQABAUAQTM-UHFFFAOYSA-N;150.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297713;MM297713;CNNC(=N)N(O)C(C)=N;FVPMWKXQSBQLBI-UHFFFAOYSA-N;145.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297714;MM297714;CC=NOCCC=CCO;LSQXFJAAEMZNCE-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297715;MM297715;CONC(=N)N(C)C(=N)N;MLSSRVNYUVNCKS-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297716;MM297716;CON=CCCC=CCO;VTLBSNVKQIYDNF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297717;MM297717;CONC(=O)N(N)C(C)=O;ITMKBRYTYBPZAD-UHFFFAOYSA-N;147.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297718;MM297718;CCC(CC)C(C)C(=O)O;APZRHSSXERCEFU-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297719;MM297719;C=C(C)N(O)C(=N)NOC;MNMRPBSDJISTSW-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297720;MM297720;Cc1c(O)c(F)nn1O;PDLCSWNNQIQOMK-UHFFFAOYSA-N;132.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297721;MM297721;CONC(=N)N(O)C(=N)N;XYYBZRZKMYHQOP-UHFFFAOYSA-N;147.14;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297722;MM297722;CCC(CF)C(C)C(=O)O;JPXYTBFJSCANQG-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297723;MM297723;C=C(C)N(C)C(=N)OCC;LOSRFKVTBULLCW-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297724;MM297724;C=C(F)C(C)C(CC)CC;VJXHNCGMPIDJAB-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297725;MM297725;CCOC(=N)N(C)C(=N)N;FRFHQVVUWASTDR-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297726;MM297726;C=C(F)C(C)C(CC)CN;IMTFDHLIICWGDN-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297727;MM297727;C=C(C)N(C)C(=O)OCC;IQESUUFQOLAZDX-UHFFFAOYSA-N;143.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297728;MM297728;C=C(F)C(C)C(CF)CF;ZCGCFQQHMHQSFR-UHFFFAOYSA-N;152.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297729;MM297729;C=C(OCC)N(N)C(C)=O;OIKBTKHILRELNI-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297730;MM297730;C=C(C)C(N)C(CC)CC;GAGVQLYFRGOANM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297731;MM297731;C=C(OCC)N(N)C(=N)N;VQIIQYOCWIUFQL-UHFFFAOYSA-N;144.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297732;MM297732;C=C(C)C(N)C(CC)CF;GAIMIRYJZBNSRV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297733;MM297733;CCOC(=N)N(N)C(=N)N;YSVDKFZUZYIGJN-UHFFFAOYSA-N;145.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297734;MM297734;N=C(N)C(N)C(CO)CO;GGAQRFYZZFYTNC-UHFFFAOYSA-N;147.18;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297735;MM297735;CC=NNCC(C=O)CF;MSMRINHMLBQHNO-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297736;MM297736;CC(=O)C(O)C(CO)CO;LLYPHEYOPMSDAZ-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297737;MM297737;C=CC(C=C)=NNCC=O;NDOOGVQDQHXDDV-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297738;MM297738;CCOC(=N)N(O)C(=N)N;WXJDXHAYSISRDP-UHFFFAOYSA-N;146.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297739;MM297739;N=C(N)C(O)C(CN)CO;OZOUEBBKVRQQQO-UHFFFAOYSA-N;147.18;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297740;MM297740;C=CCC(=C)C(C)C(=C)C;FHGNLHXSQSIOEP-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297741;MM297741;N=C(N)C(O)C(CO)CO;BLLKJUNDSPPAPR-UHFFFAOYSA-N;148.16;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297742;MM297742;C=C(C)C(C)C(=C)CC#N;IRZBWUJVFPRPIP-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297743;MM297743;NC(=O)C(O)C(CO)CO;ICNGZVDABHCYAJ-UHFFFAOYSA-N;149.15;-2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297744;MM297744;C=C(CC=O)C(C)C(C)=O;CHAABZJOWUEQSE-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297745;MM297745;CNc1nnc(O)o1;OBFVHCOWVXFCLD-UHFFFAOYSA-N;115.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297746;MM297746;C=C(CC#N)C(C)C(C)=O;YBRYROWINKYAEQ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297747;MM297747;C=C(F)C(O)C(CO)CO;BYHXUNJRMBFFRP-UHFFFAOYSA-N;150.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297748;MM297748;C=CCC(=C)C(C)C(=N)N;SODHECWZAYPGTB-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297749;MM297749;C=C(F)C(O)C(CF)CF;UEFHUXQLZGBZKZ-UHFFFAOYSA-N;154.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297750;MM297750;NN=C1CCC(=CCO)C1;AKIUEOZGFPDLQH-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297751;MM297751;C=C(C)C(F)C(CN)CN;LMDZONBHAMNNBZ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297752;MM297752;C=C(CC=O)C(C)C(N)=O;GVYCBXQVPQFDOM-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297753;MM297753;C=C(C)C(F)C(CN)CF;XFDYBMRIEQFLHP-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297754;MM297754;C=CCC(=C)C(C)C(=O)O;WCBPEINNIVLTIZ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C2";;;;;;;2.83;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297755;MM297755;CCC(CN)C(F)C(=N)N;XVQYJHLZDWKFSK-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297756;MM297756;C=C(F)C(C)C(=C)CC=O;LIMDSLRYVJYFGH-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297757;MM297757;CCC(CN)C(F)C(N)=O;GEDHEFMQLDFSIF-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297758;MM297758;C=CCC(=O)C(C)C(=C)C;WGEGPQHGTRPUJX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297759;MM297759;NC(=O)C(F)C(CO)CO;BFYPOKQQOVNGQO-UHFFFAOYSA-N;151.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297760;MM297760;C=CCC(=O)C(C)C(C)=O;HBUNVUQOWGCIKJ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297761;MM297761;CCC(CF)C(F)C(=O)O;LAWCJNLMNFFIIJ-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297762;MM297762;CC(=O)C(C)C(=O)CC#N;IWQUYKLIJCOCJC-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297763;MM297763;C=C(C)C(C)C(CC)NC;IKDUJAXMGYXYOQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297764;MM297764;C=CCC(=O)C(C)C(N)=O;YBSXLPXNRYDVDF-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297765;MM297765;C=C(C)C(C)C(CF)NC;ITLVYDAIQZBPSO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297766;MM297766;CC(C(N)=O)C(=O)CC#N;KMZGLBKYWZAEQA-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297767;MM297767;CCC(NC)C(C)C(C)=O;RIOCWMWRPFTBQE-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297768;MM297768;C=CCC(=O)C(C)C(=C)F;NNTYOAIBSBEWSS-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297769;MM297769;CNC(CF)C(C)C(=N)N;RJVJONDUWBABDH-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297770;MM297770;C=CCC(=C)C(N)C(=N)N;DOQBKCJVPCIJTJ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297771;MM297771;C=C(F)C(C)C(CF)NC;DFVQPTABAQMHNN-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297772;MM297772;C=C(CC=O)C(O)C(=N)N;IBGLGNKDKDFQPM-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297773;MM297773;CNC(CO)C(O)C(=N)N;GPYQEKBUDVXPSM-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297774;MM297774;Nn1[nH]ncc1=O;GVXFBPKPDULHIP-UHFFFAOYSA-N;100.08;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297775;MM297775;CNC(CO)C(O)C(N)=O;GHHXQBYYWLRPIQ-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297776;MM297776;C=C(F)C(O)C(=C)CC#N;KLOPCQMUPOMRIO-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297777;MM297777;C=C(C)C(F)C(CC)NC;XMAFEFNAXPQSDZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297778;MM297778;C=CCC(=O)C(O)C(C)=O;UMNJWTJBRLCHAE-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297779;MM297779;CCC(NC)C(F)C(C)=O;XOTZQOFYFUYFDN-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297780;MM297780;C=CCC(=O)C(O)C(=N)N;CFWOAXSTABWRRF-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297781;MM297781;N#CC(=NO)C1CN1C=O;WTVGNZBJKNECPW-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297782;MM297782;N#CCC(=O)C(O)C(=N)N;ZKCLEZFJMHZFIY-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297783;MM297783;COC(CF)C(O)C(C)=O;PUDOSZKAISZFPR-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297784;MM297784;C=C(C)C(F)C(=C)CC=O;QJBBPFARUDYEPP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297785;MM297785;COC(CO)C(O)C(=N)N;LPUBVPCGJANLCM-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297786;MM297786;C=C(CC=O)C(F)C(C)=O;SZAOMQGFGQTHKG-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297787;MM297787;C=C(CC=O)C(F)C(N)=O;XXWGEXRTBSYFDV-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297788;MM297788;COC(CF)C(O)C(=N)N;RKSBCXDUFVWSQF-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297789;MM297789;C=CCC(=O)C(F)C(=C)C;RAQOGFZJUITSFU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297790;MM297790;COC(CO)C(O)C(N)=O;RENHHYNLSFVNQD-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297791;MM297791;C=C(N=CN)C(C)C(N)=O;FJOMDEVHIGEQIA-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297792;MM297792;C=Cn1nnc(O)c1C;OKEVBCOEWUPYTR-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297793;MM297793;C=CNC(=N)C(C)C(=N)N;WECFLZRQAXPZFF-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297794;MM297794;C=C(F)C(O)C(CO)OC;JTJBYUZOKGWJHQ-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297795;MM297795;CC(C(=N)N)C(=N)NC=N;GVHAHSSJHFJSAZ-UHFFFAOYSA-N;141.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297796;MM297796;COC(CO)C(F)C(C)=O;WFVPWZOYMSFCPP-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297797;MM297797;CC(C(=N)N)C(=N)NC=O;NGOAUMJRDZPTLP-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297798;MM297798;COC(CN)C(F)C(=N)N;NMIYIIHSRDTLQM-UHFFFAOYSA-N;149.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297799;MM297799;C=C(F)C(C)C(=N)NC=N;OGOPMGGKVVQONR-UHFFFAOYSA-N;143.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297800;MM297800;COC(CO)C(F)C(N)=O;QCAUCBCIMUVQKD-UHFFFAOYSA-N;151.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297801;MM297801;C=CNC(=O)C(C)C(=N)N;RNXCQZVKGPCNQW-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297802;MM297802;COC(CF)C(F)C(N)=O;NJDXXAJWZMAEBI-UHFFFAOYSA-N;153.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297803;MM297803;C=C(NC=N)C(N)C(=N)N;BPLLSIYMRYFOLS-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297804;MM297804;C=C(F)C(F)C(CO)OC;UYXFGMRJSAHSFU-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297805;MM297805;C=CNC(=N)C(N)C(=C)C;NPKPDUBTOOACHM-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297806;MM297806;C=C(C)C(C)C(OC)OC;HIQITGHIXWNFOU-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297807;MM297807;C=C(C)C(N)C(=N)NC=N;IIEDULOIRBUOFB-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297808;MM297808;COC(OC)C(C)C(C)=O;PPYDDVVHUXDXNZ-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297809;MM297809;C=CNC(=N)C(N)C(=N)N;SNMIZGYKBKSICQ-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297810;MM297810;C=C(F)C(C)C(OC)OC;VGUXLTNLBPVGQZ-UHFFFAOYSA-N;148.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297811;MM297811;C=CNC(=N)C(N)C(N)=O;LFSBYGIBCJNJAV-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297812;MM297812;COC(OC)C(N)C(=N)N;DRRBWTKSJWXGEI-UHFFFAOYSA-N;147.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297813;MM297813;C=CCc1ncc(NC)o1;COBHARJNTHQMNR-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297814;MM297814;C=C(C)C(O)C(OC)OC;VZXLLZZUCTURRW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297815;MM297815;C=C(F)C(N)C(=N)NC=N;SWZGCOGCKVZALS-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297816;MM297816;COC(OC)C(O)C(C)=O;MRDCLOKTJFQNOU-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297817;MM297817;N=C(N)C(N)C(=O)NC=O;JWDCMBYXVOBIRG-UHFFFAOYSA-N;144.13;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297818;MM297818;COC(OC)C(O)C(=N)N;XQXUQMAWOFMTRF-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297819;MM297819;CNc1[nH]cc(N=N)c1C;OCHVEXVXQBLZGO-UHFFFAOYSA-N;138.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297820;MM297820;C=C(C)C(F)C(OC)OC;CZDQLJCOLDRQTK-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297821;MM297821;C=C(NC=N)C(O)C(=N)N;YYHHVPJYSHXKTR-UHFFFAOYSA-N;142.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297822;MM297822;CCN(CC)C(C)C(=N)N;XVYWRXYNJGIJAF-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297823;MM297823;C=C(NC=O)C(O)C(=N)N;VPWVGXPFIJPTEQ-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297824;MM297824;CCC(CF)N(C)C(=N)N;VMVFBTVIVZFTIF-UHFFFAOYSA-N;147.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297825;MM297825;C=C(NC=N)C(O)C(N)=O;OYCVGUUOGHMWCP-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297826;MM297826;CCC(CN)N(C)C(N)=O;NBOWRKRYAGUSKT-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297827;MM297827;C=C(NC=O)C(O)C(N)=O;NVJWYERLIDJDIQ-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297828;MM297828;CCC(CF)N(N)C(C)=O;KSUDPVLDTPDWDZ-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297829;MM297829;C=CNC(=N)C(O)C(C)=O;DUFUFLIIEUNFDM-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297830;MM297830;C=NN1C(C)C1CNC=O;VFVJVALIOLJGNQ-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297831;MM297831;CC(=O)C(O)C(=N)NC=O;CNZKLKFVBLFJAJ-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297832;MM297832;CCC(CF)N(N)C(=N)N;WJLVTUNNRMDVBW-UHFFFAOYSA-N;148.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297833;MM297833;C=CNC(=N)C(O)C(=N)N;NMDUBGLFTDDZOZ-UHFFFAOYSA-N;142.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297834;MM297834;N=C(N)N(N)C(CO)CO;NAIZDUZBFPESKN-UHFFFAOYSA-N;148.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297835;MM297835;C=CNC(=N)C(O)C(N)=O;YNWIZFNYLCTSJN-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297836;MM297836;NC(=O)N(O)C(CF)CF;CPGKOKQTEOEFKG-UHFFFAOYSA-N;154.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297837;MM297837;N=C(NC=O)C(O)C(N)=O;UFWGCCRUCPZGSS-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297838;MM297838;C=C(C)C(C)C(C=O)CC;HPQOZSYQZHSQCF-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297839;MM297839;C=C(F)C(O)C(=N)NC=N;ZFUIKEWPTFCRAJ-UHFFFAOYSA-N;145.14;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297840;MM297840;C=C(C)C(C)C(C#N)CC;YMSLEZWHQHNKSQ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297841;MM297841;C=CNC(=O)C(O)C(=C)C;LTKAFPXUDMLXEV-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297842;MM297842;C=CC(CN)C(C)C(=C)C;AHAKQHYQHZUZEE-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297843;MM297843;C=CNC(=O)C(O)C(C)=O;ANXFGLZNWCNECI-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297844;MM297844;C=C(C)C(C)C(C=O)CF;VIACYHUAPGXZTN-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297845;MM297845;CC(=O)C(O)C(=O)NC=O;NOGGVEJLAMINNL-UHFFFAOYSA-N;145.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297846;MM297846;C=C(C)C(C)C(C#N)CF;OQSWNGFHHZGYEY-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297847;MM297847;C=CNC(=O)C(O)C(=N)N;NTOYMRHAMPZXFI-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297848;MM297848;C=CC(CC)C(C)C(C)=O;TYXTZILCHSJEER-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297849;MM297849;N=C(N)C(O)C(=O)NC=O;VRCWARXNYRQEIN-UHFFFAOYSA-N;145.12;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297850;MM297850;CCC(C#N)C(C)C(C)=O;NKDLWHOSSWLHEX-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297851;MM297851;NC(=O)C(O)C(=O)NC=O;AAEGSAKCMLCDEU-UHFFFAOYSA-N;146.1;-2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297852;MM297852;CC(=O)C(C)C(C=O)CO;KWXNNADSJROQES-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297853;MM297853;C=NN1CC1C(=O)O;NSCUKGPEUIXRMT-UHFFFAOYSA-N;114.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297854;MM297854;CC(=O)C(C)C(C=O)CF;LEVHSWDEKNQWEQ-UHFFFAOYSA-N;146.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297855;MM297855;C=C(F)C(O)C(=O)NC=N;FPPDNBHSXROOGC-UHFFFAOYSA-N;146.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297856;MM297856;CC(=O)C(C)C(C#N)CF;UIVLLNDUUWUNIA-UHFFFAOYSA-N;143.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297857;MM297857;C=C(NC=N)C(F)C(=N)N;NKQSQOLLLNVYCN-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297858;MM297858;C=CC(CC)C(C)C(=N)N;IRODGTRSEBPGKP-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297859;MM297859;C=C(C)C(F)C(=N)NC=N;LXCQFUJSOJHAMJ-UHFFFAOYSA-N;143.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297860;MM297860;CCC(C#N)C(C)C(=N)N;HKQSDMLNVAZZOP-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297861;MM297861;C=NOCC(=O)NOC;GAAXHRIZLYYCAA-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297862;MM297862;C=CC(CN)C(C)C(=N)N;RXHMBLVPQXEOFA-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297863;MM297863;C=C(F)C(F)C(=N)NC=O;IMWDDIGQAAAVSJ-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297864;MM297864;CC(C(=N)N)C(C#N)CO;UAVKFROWFHZQFL-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297865;MM297865;C=C(C)C(F)C(=O)NC=N;JZQNZEWXENCJQM-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297866;MM297866;CC1NCC(F)C1=O;CIIIKSHKHSYLDD-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297867;MM297867;C=CNC(=O)C(F)C(N)=O;VTXWQLDWWLZYOC-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297868;MM297868;CC(C(N)=O)C(C#N)CO;JONNXZYHUFHKOW-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297869;MM297869;N=Cn1oc(O)nc1=N;QQCMNMSFSYHKAU-UHFFFAOYSA-N;128.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297870;MM297870;CC(=O)NC1(C)CC1C;IMNVKIUKVWXGPD-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297871;MM297871;Nn1c(F)cc(=O)nc1O;NONXMLWYOBMLCC-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297872;MM297872;C=CC(CC)C(C)C(=O)O;MWMJVVONSAKFTE-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297873;MM297873;C=C(F)C(F)C(=O)NC=N;RHSHHVCYXBDPES-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297874;MM297874;CNc1n[nH]n(C)c1=O;ZBVQJHPKTSRWHD-UHFFFAOYSA-N;128.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297875;MM297875;C=NNC(=N)C(N)C(=N)N;UCCLSDRDLZTTAD-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297876;MM297876;CCC(C#N)C(C)C(=O)O;QXAHCJNHQUPOLP-UHFFFAOYSA-N;141.17;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297877;MM297877;N#CC(=O)C1CN1;WNANBCJPLHKLRD-UHFFFAOYSA-N;96.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297878;MM297878;Cc1cc(=O)n(C)c(O)n1;CFADSIBRSRZBQO-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297879;MM297879;C=NNC(=O)C(N)C(=N)N;FIECJHAHFFLOIR-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297880;MM297880;C=C(F)C(C)C(C#N)CC;PZGOXKYVVCLBGX-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297881;MM297881;CC(=O)NC(C)(C)C;ACYFWRHALJTSCF-UHFFFAOYSA-N;115.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297882;MM297882;C=CC(CN)C(C)C(=C)F;GSSDJVSULVXEMO-UHFFFAOYSA-N;143.21;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297883;MM297883;CC1CN1CC(N)=O;VKDXCHWPCBSYSQ-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297884;MM297884;C=C(F)C(C)C(C=O)CF;CXYZTNBJLJBWKM-UHFFFAOYSA-N;148.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297885;MM297885;C=NNC(=O)C(O)C(C)=O;OLLWHESUMDWAMT-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297886;MM297886;C=CC(CF)C(N)C(=C)C;BCGZTBILRHKRKL-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297887;MM297887;C=NNC(=O)C(F)C(C)=O;OLMXTJVHGARKRN-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297888;MM297888;C=CC(CC)C(N)C(=N)N;QCWRKZRKQGPIJC-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297889;MM297889;C=COC(=C)C(C)C(C)=O;GRMCLXFAAUDCID-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297890;MM297890;C=CC(CC)C(N)C(N)=O;PXLWSUOFDWINSS-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297891;MM297891;C=COC(=C)C(C)C(=N)N;ANOCYPHZSWKZKF-UHFFFAOYSA-N;140.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297892;MM297892;C=CC(CC)C(N)C(=C)F;CHUVGGJJMUEIQQ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297893;MM297893;CON=C(CC(=O)O)NN;YYQWLCUYKIBQHZ-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297894;MM297894;C=C(C)C(O)C(C=O)CC;KVLVOOMOFATDJC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297895;MM297895;C=COC(=O)C(C)C(C)=O;HHZVJTKLDFECQQ-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297896;MM297896;C=CC(CN)C(O)C(=C)C;KJLPUQJANYVIQL-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297897;MM297897;C=COC(=C)C(N)C(=N)N;SMOUGKLDNUAORO-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297898;MM297898;CCC(C=O)C(O)C(C)=O;QHCCTJWUHFBXDF-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297899;MM297899;C=COC(=O)C(N)C(=N)N;YCLHKIXLCUHXFI-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297900;MM297900;CC(=O)C(O)C(C=O)CO;FAJJUISFMKSWFY-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297901;MM297901;C=COC(=C)C(O)C(=N)N;RPLKJYGLUFDSRL-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297902;MM297902;CC(=O)C(O)C(C#N)CO;SYKKUYSWZQEZFA-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297903;MM297903;C=COC(=C)C(O)C(N)=O;NKXNYRMLLYBJBB-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297904;MM297904;C=CC(CF)C(O)C(C)=O;BDSQTONGKKHASZ-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297905;MM297905;C=CC1C=CC(=O)N1O;OCDMSBOPIQOQGL-UHFFFAOYSA-N;125.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297906;MM297906;CCC(C#N)C(O)C(=N)N;YEFCQJAVPDBEPR-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297907;MM297907;C=COC(=O)C(O)C(C)=O;CLQQMSDMDGDUOE-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297908;MM297908;C=CC(CN)C(O)C(=N)N;XBGUBICWWVSGON-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297909;MM297909;C=COC(=O)C(O)C(=N)N;TUDNAJPIVNMUJE-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297910;MM297910;N#CC(CO)C(O)C(=N)N;JCAQLLSNZUBRGX-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297911;MM297911;CCCC(O)(CF)C(=O)O;VBICDXMSQAENBD-UHFFFAOYSA-N;150.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297912;MM297912;C=CC(CF)C(O)C(=N)N;YRBNLXIBKOFSBN-UHFFFAOYSA-N;146.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297913;MM297913;C=COC(=O)C(O)C(=C)F;PQROORABCUMJRR-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297914;MM297914;CCC(C#N)C(O)C(N)=O;JBBQYMWHIHWLQH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297915;MM297915;C=COC(=C)C(F)C(N)=O;IGDFKIDGXUOIBL-UHFFFAOYSA-N;145.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297916;MM297916;N#CC(CO)C(O)C(N)=O;TZZVMUAZMUETJT-UHFFFAOYSA-N;144.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297917;MM297917;C=NOC(=O)C(C)C(=C)C;OTSLJQVSWBWPEL-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297918;MM297918;N=c1c(O)nnnn1O;WHWWNHRORXIRIB-UHFFFAOYSA-N;129.08;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297919;MM297919;C=NOC(=O)C(O)C(N)=O;DXQJRWXJMPEJSW-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297920;MM297920;C=C(F)C(O)C(C#N)CO;VAADCPYIQACXNJ-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297921;MM297921;C=C(C)C(F)C(C=O)CC;FRWYYXMNZXSVMM-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297922;MM297922;C=NOC(=O)C(O)C(=C)F;INYXTMHOVPCUQF-UHFFFAOYSA-N;147.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297923;MM297923;C=CC(CN)C(F)C(=C)C;GHKILIVKTFNIMZ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297924;MM297924;C=C(CC=O)N(C)C(=N)N;HZKMRPVIRAYQOA-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297925;MM297925;CCC(C=O)C(F)C(C)=O;CUWQELJORLOWPL-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297926;MM297926;C=C(CC=O)N(C)C(N)=O;QJBJQXHRPGKVLN-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297927;MM297927;C=CC(CF)C(F)C(C)=O;RWMGVTVXTNKSIC-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297928;MM297928;CC(=N)N(C)C(=N)CC#N;BCOQEZSDEQFRNS-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297929;MM297929;N#CC(CO)C(F)C(N)=O;PDLQHFYMHWMKJU-UHFFFAOYSA-N;146.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297930;MM297930;C#Cc1ncoc1N;RXASPINUBOLUOI-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297931;MM297931;C=NOC(C#N)=NO;MQMBZTVXBOAPDX-UHFFFAOYSA-N;113.08;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297932;MM297932;CN(C(=N)N)C(=N)CC=O;QCERBWMOLFABTE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297933;MM297933;C=CC(CN)C(F)C(=C)F;RVCPFLZBSQRWHO-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297934;MM297934;CC(NC=O)C1CC1;AIHMHTQLUUFCRY-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297935;MM297935;C=C(F)C(F)C(C#N)CO;PKJGOIRMCAKLOG-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297936;MM297936;CC(=N)N(C)C(=O)CC#N;NHANLGAIPGTWPD-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297937;MM297937;C=C(C)C(C)C(C=O)NC;RLDIGCOEDYOXJS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297938;MM297938;CN(C(=N)N)C(=O)CC=O;OULCSNPJOULCOV-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297939;MM297939;CCC1(NC(C)=O)CC1;ZWRGWYJIQUDXDD-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297940;MM297940;CN(C(N)=O)C(=O)CC=O;IDORIFDPEKBRKO-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297941;MM297941;C=CC(NC)C(C)C(=N)N;LZGLJDVMHQNELV-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297942;MM297942;CC(=O)NCC=C(C)C;HMFQZRAOCARFRS-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297943;MM297943;C#CCN=c1[nH]oc(=O)o1;PZTSJZGJBHDSPQ-UHFFFAOYSA-N;140.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297944;MM297944;C=CCC(=C)N(O)C(C)=N;RHXYEXUSGLVGOZ-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297945;MM297945;CN(C)N=CCNC=O;OHJYCKYVWHDGBQ-UHFFFAOYSA-N;129.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297946;MM297946;C=CCC(=C)N(O)C(C)=O;VOIDSPYHBNZIMC-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297947;MM297947;COC1=NC(=N)C(C)N1;UQILLNJXSSOOLL-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297948;MM297948;C=C(CC=O)N(O)C(C)=O;CAVSSQSWSKXEMV-UHFFFAOYSA-N;143.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297949;MM297949;C=CC(OC)C(C)C(=C)C;GQURGKBLFPGDJD-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297950;MM297950;N=C(CC=O)N(O)C(N)=O;IRKTZSVNWXSCEX-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297951;MM297951;C=CC(OC)C(C)C(=N)N;SSAPSVWOOXCBRH-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297952;MM297952;CC(=N)N(C)C(=N)NC=N;AXHYVCPDICTWEC-UHFFFAOYSA-N;141.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297953;MM297953;COC(C#N)C(C)C(=N)N;KLFMZLCHFJVINO-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297954;MM297954;C=COC(C)=CC(N)=O;JUFQXFSWWBIQDZ-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297955;MM297955;COC(C=O)C(C)C(N)=O;NLXFTPSHAFTFOL-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297956;MM297956;C=CNC(=N)N(C)C(=N)N;SYANJUQISWBBKO-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297957;MM297957;C=CC(OC)C(N)C(=C)C;RLFBPAGJILVSHR-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297958;MM297958;C#CC(=C)CCC(N)=O;VMRFDUINYSJPIT-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297959;MM297959;COC(C=O)C(O)C(C)=O;TZUUAPFVIWBJNU-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297960;MM297960;CCC=CCNC(C)=O;UFUWYKFSJRSDGS-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297961;MM297961;COC(C#N)C(O)C(C)=O;BVBRSDGYGWLZBG-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297962;MM297962;C=CNC(=O)N(C)C(C)=O;UQBAXCGACHXCRB-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297963;MM297963;C=CC(OC)C(O)C(=N)N;ZXYSULBXKNAWBA-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297964;MM297964;CC(=O)N(C)C(=O)NC=O;CIBCBLZOGZXEHD-UHFFFAOYSA-N;144.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297965;MM297965;COC(C=O)C(O)C(=N)N;VBDOMTBICVYKRR-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297966;MM297966;COC(C#N)C(O)C(=N)N;MGGKRFNWKDNHSB-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297967;MM297967;C=C(NC=N)N(N)C(=N)N;FLNNNMFUZIJUJM-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297968;MM297968;C=CC(OC)C(O)C(N)=O;CDCMHZVILHHRDX-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297969;MM297969;CC(=N)N(N)C(=N)NC=N;NZUOWXYDWVBAQB-UHFFFAOYSA-N;142.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297970;MM297970;C=CC(OC)C(O)C(=C)F;DTOPBDFTMGSQNZ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297971;MM297971;CC(=N)N(N)C(=N)NC=O;PBYAYVOBORVPCU-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297973;MM297973;C=CNC(=N)N(N)C(=N)N;ABOHSGVPJQFRLZ-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297972;MM297972;C=NN(CC)C(C)C(=C)C;WOLIOWHTYNOGMV-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297974;MM297974;C=C(F)C=NNCC=O;VSYMJFPIAKRNTL-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297975;MM297975;C=C(C)C(C)N(C=O)NC;HLFVWDFCGGEYAK-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297976;MM297976;CN1CC1(C)CNC=O;XHZAIMHJCXEQTL-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297977;MM297977;C=C(F)C(C)N(C=N)NC;RZXZBPIOIKSPLK-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297978;MM297978;CCC(=O)CC=NOC;HTRSPJJYZFOLNK-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297979;MM297979;CON(C=O)C(C)C(C)=O;JFSJMOXXOOMDQV-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297980;MM297980;CN(C=NN)C(=O)CF;LVNISCMVHYPHBP-UHFFFAOYSA-N;133.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297981;MM297981;CCC(C#N)N(C)C(C)=N;SPVFNLAIMCULNI-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297982;MM297982;CC(=O)N(N)C(=O)NC=O;SQWDCPYNYIPMCK-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297983;MM297983;CC(=N)N(C)C(C#N)CO;HABAFYXQRHCJSN-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297984;MM297984;C=C(NC=O)N(O)C(C)=N;IWIKLVNYFCDQLM-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297985;MM297985;C=CC(CO)N(C)C(C)=O;FPAAZBMHDBZHGI-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297986;MM297986;C=C(C)N(O)C(=N)NC=N;JOOKLAHUJKYZKB-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297987;MM297987;CC(=O)N(C)C(C#N)CO;DGRDJJYFCMSPID-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297988;MM297988;C=CNC(=N)N(O)C(C)=N;BMWQDPVANYSHQN-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297989;MM297989;CCC(C=O)N(C)C(=N)N;MJXKKVPHLHBCPK-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297990;MM297990;CC(=N)N(O)C(=N)NC=N;ABMVMGATHBJROY-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297991;MM297991;C=CC(CN)N(C)C(=N)N;AXFRDWPVYGMFJY-UHFFFAOYSA-N;142.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297992;MM297992;C=CNC(=N)N(O)C(=N)N;JAMLFSZEORYDMQ-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297993;MM297993;C=CC(CO)N(C)C(=N)N;NDITWAOAMIZKNG-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297994;MM297994;C=NNC(=N)N(C)C(C)=N;HVZUSJRYMGOKAP-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297995;MM297995;CN(C(=N)N)C(C#N)CF;DYPSXESRHPAMKH-UHFFFAOYSA-N;144.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297996;MM297996;C=NNC(=O)N(C)C(=C)C;OWYWZKZLONMILU-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297997;MM297997;CC(C)(C)NN=CC(N)=O;CVXOFPYXCHTITJ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297998;MM297998;CNc1nc(C)c(N)o1;QJDKRIRVCXYECG-UHFFFAOYSA-N;127.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM297999;MM297999;CCC(C=O)N(C)C(N)=O;ZKQJOEPQVHXCHY-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298000;MM298000;C=NNC(=O)N(N)C(C)=O;OALUGNHEIFFHDU-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298001;MM298001;CN(C(N)=O)C(C=O)CO;XGODEMFMZLFFCA-UHFFFAOYSA-N;146.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298002;MM298002;C=COC(=C)N(C)C(C)=N;PHUWXUXBDUCGPS-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298003;MM298003;C=CC(CC)N(N)C(C)=O;HUEALLYLQGZMFE-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298004;MM298004;C=COC(=C)N(N)C(C)=O;LJBTZMKUSRLMRG-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298005;MM298005;C=CC(CO)N(N)C(=N)N;CNTRVXSVKNLPIX-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298006;MM298006;C=COC(=C)N(N)C(=N)N;KEFSJXBQOXJRNS-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298007;MM298007;COCC(F)C=CC(N)=O;LYPWPTQUFCCNPQ-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298008;MM298008;C=C(OC=O)N(N)C(=N)N;DBQAUEUEXNEAFH-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298009;MM298009;CC(=NN)OC=CC(N)=O;PYSIHHZTNAOMSJ-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298010;MM298010;CC(=O)N(N)C(=N)OC=O;UOXQSUSQIAJABA-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298011;MM298011;CCC(C=O)N(O)C(=N)N;ABPDPWJCPALNMX-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298012;MM298012;N=C(N)N(N)C(=N)OC=O;KORZKCBGEVUIAE-UHFFFAOYSA-N;145.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298013;MM298013;O=CCC1NC1C(F)F;FFNWHPQOMYVWPK-UHFFFAOYSA-N;135.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298014;MM298014;C=CC(CF)N(O)C(N)=O;IFOYYPWQHXBCCW-UHFFFAOYSA-N;148.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298015;MM298015;C=NOC(=O)N(C)C(=C)C;XPRWRMNJJPSCGL-UHFFFAOYSA-N;142.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298016;MM298016;C#CC(CC)C(C)C(=C)C;YZPHSPBASLUHRI-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298017;MM298017;C=NOC(=O)N(N)C(C)=N;PVRKRQVACGBCFL-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298018;MM298018;C#CC(CF)C(C)C(=C)C;CBFXJWYASYPIAX-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298019;MM298019;C=NOC(=O)N(N)C(C)=O;PTSVQTOISBBNGN-UHFFFAOYSA-N;145.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298020;MM298020;C#CC(CC)C(C)C(C)=O;DSCQCNDNFYNUNF-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298021;MM298021;C#CCCCCNC=O;AFZKFWWSLLHCIY-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298022;MM298022;C#CC(CC)C(C)C(=O)O;AQHLZPDCWQCHKF-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298023;MM298023;CCC(=O)NC(C)(C)CC;HAEKRILRLPSXJY-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298024;MM298024;C#CC(CF)C(C)C(=O)O;BSVYXIWBPWFHPD-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298025;MM298025;C#CCC(=C)C(C)C(=C)C;AXIZZWTVVFZHED-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298026;MM298026;C#CC(CF)C(C)C(=C)F;LIHFKHUDRMINSF-UHFFFAOYSA-N;144.16;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298027;MM298027;C#CCC(=C)C(C)C(=O)O;RNRFYJDJGKLBAZ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298028;MM298028;C#CC(CF)C(O)C(C)=O;QISYKIGDNOAJIU-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298029;MM298029;C#CCC(=O)C(C)C(=C)C;NXYCVGUGOQOQNK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298030;MM298030;C#CC(CF)C(O)C(=N)N;HFHFDAFNHMOCPS-UHFFFAOYSA-N;144.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298031;MM298031;C#CCC(=C)C(N)C(=N)N;UNCWHIRZHCLEPQ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298032;MM298032;C#CC(CC)C(O)C(N)=O;ULPDCWOKJGANDK-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298033;MM298033;C#CCC(=C)C(O)C(=N)N;AIXIKJKGIJOEPF-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298034;MM298034;C#CC(CF)C(O)C(N)=O;WCHSFILIIMWXMB-UHFFFAOYSA-N;145.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298035;MM298035;C#CCC(=C)C(O)C(N)=O;DHENYUMJZAIGBT-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298036;MM298036;N=c1[nH]oc2c(O)nnn12;GOFBYLHTOZUCOS-UHFFFAOYSA-N;141.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298037;MM298037;C#CCC(=O)C(O)C(=N)N;URDGCZZMNWACPG-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298038;MM298038;C#CC(CC)C(F)C(C)=O;HBSBQOAXZAKDCA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298039;MM298039;C#CCC(=O)C(O)C(=C)F;CKNLEAVTUIJXKI-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298040;MM298040;C#CC(CO)C(F)C(=C)F;TWTMWSPMKKNLPL-UHFFFAOYSA-N;146.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298041;MM298041;C#CCC(=C)N(C)C(C)=O;SCSZGNDOHYHOPD-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298042;MM298042;C#CC(NC)C(O)C(=C)C;CWUUADBMCFXASF-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298043;MM298043;C#CCC(=N)N(C)C(=C)C;XZJSXYAHCBNKIQ-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298044;MM298044;C#CC(OC)C(C)C(=C)C;QSAVOIDJPRMDOK-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298045;MM298045;C#CCC(=N)N(C)C(=N)N;FHOZDOHIDRAOCM-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298046;MM298046;C#CC(OC)C(C)C(C)=O;FOYCORHYWTZGDF-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298047;MM298047;CON=CC(C)CC(N)=O;HTJJJZXZQBOUEU-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298048;MM298048;C#CCC(=O)N(C)C(=N)N;UOVGNHXOMUBWAE-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298049;MM298049;C#CC(OC)C(C)C(N)=O;CLMWVCRGZDGTEI-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298050;MM298050;C#CCC(=O)N(C)C(N)=O;KEAHXYVGVUALJB-UHFFFAOYSA-N;140.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298051;MM298051;NC(C=O)=NC=CC(=O)O;HFAURWAHDZPNLF-UHFFFAOYSA-N;142.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298052;MM298052;C#CCC(=C)N(N)C(=N)N;XYVAMDWQACVTLY-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298053;MM298053;C#CC(OC)C(C)C(=C)F;QXGVJCBUNLJTKX-UHFFFAOYSA-N;142.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298054;MM298054;CCC=NN(C)CC(N)=O;PZGXYJACKXJNAS-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298055;MM298055;C#CC(OC)C(O)C(C)=O;YNWRQXGWUKXJEL-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298056;MM298056;C#CCC(=O)N(N)C(=N)N;PXUGAFRGMIAKMJ-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298057;MM298057;C#CC(OC)C(O)C(=N)N;PVVVZBWMRBYOJZ-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298058;MM298058;C#CCC(=C)N(O)C(=N)N;SPQSTVLVLTWLBF-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298059;MM298059;C#CC(OC)C(O)C(N)=O;ZYALLQLLFWMTAG-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298060;MM298060;C#CCC(=N)N(O)C(=N)N;CWUJIKRIIIJSOF-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298061;MM298061;NN=c1onc(O)n1N;YPDCUMGKLPIWJJ-UHFFFAOYSA-N;131.1;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298062;MM298062;C#CCC(=N)N(O)C(N)=O;ZILPXTJSEMDZCD-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298063;MM298063;C#CC(OC)C(O)C(=C)F;VOXHHSXVWZJFPR-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298064;MM298064;C=C(C(C)N)C(C)CCC;KYDVWNORGPOYJV-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298065;MM298065;C#CC(CF)N(C)C(N)=O;QRWBUHWNRZHGAI-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298066;MM298066;C=C(C(C)N)C(C)CCF;OZYDEICCLIVCFO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298067;MM298067;C#CC(CC)N(N)C(=N)N;JFYDHJQJTJQQSO-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298068;MM298068;C=C(CO)CC=CC(N)=O;NZCGZXPGUSYCAY-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298069;MM298069;C#CC(CO)N(N)C(=N)N;BLEDMVJTUPDOJO-UHFFFAOYSA-N;142.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298070;MM298070;C=C(C(C)C)C(N)CCN;VZUXPLVTFCUYGC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298071;MM298071;C#CC(=C)CC(C)NC=O;FVSOMUQKRKFKPP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298072;MM298072;C=C(C(C)N)C(N)CCF;DBVGVCYKPYTASZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298073;MM298073;C#CC(CN)N(O)C(=N)N;PXALTJUMZMKPGL-UHFFFAOYSA-N;142.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298074;MM298074;C=C(C(C)C)C(O)CCN;ISWQOQRGJWZKFW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298075;MM298075;C#CC(CO)N(O)C(=N)N;HNKLEBBCJZMDKE-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298076;MM298076;C=C(C(C)F)C(O)CCC;FFCPMEKYUREQNE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298077;MM298077;C=CC(C=C)C(C)C(=C)C;OUEZQKHVLRNBIF-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298078;MM298078;CCCC(O)C(=O)C(C)O;QYEWBVLYCAELSZ-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298079;MM298079;C=CC(C=O)C(C)C(=C)C;MZKKQDLCHIUWLD-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298080;MM298080;C=C(C(C)C)C(C)CNC;TVBBJZJZXLTUMR-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298081;MM298081;C=CC(C#N)C(C)C(=C)C;MMBLZZBYLKVLHS-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298082;MM298082;C=C(C(C)F)C(C)CNC;GOPKSUWPZBALIK-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298083;MM298083;C=C(C)C(C)C(C=O)C=O;PYOBRYNRCHDROW-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298084;MM298084;C=C(C(F)F)C(C)CNC;DWMAYIDYYYNKAY-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298085;MM298085;C=C(C(F)F)C(N)CNC;MJOFCGHNBOOODZ-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298086;MM298086;C=CC(C=C)C(C)C(C)=O;PTXLHBHINXDLQD-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298087;MM298087;C=C(C(C)O)C(F)CNC;IOZWKKFGEJZQCB-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298088;MM298088;C=CC(C=O)C(C)C(C)=O;LWZADXQRMPIWNL-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298089;MM298089;C=C(C(C)F)C(F)CNC;SBSNQXPJUXXGCN-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298090;MM298090;CC(=O)C(C)C(C=O)C=O;BKEGBAJUAOQAIF-UHFFFAOYSA-N;142.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298091;MM298091;CNCC(O)C(=O)C(C)C;GDRLFAQQBXHIFL-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298092;MM298092;C=CC(C=C)C(C)C(=N)N;LNGSCSIJFBSACZ-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298093;MM298093;C=C(C(F)F)C(N)COC;JHDSFIJPPIIFQA-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298094;MM298094;C=CC(C=O)C(C)C(=N)N;BTXBNABXFUPHMY-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298095;MM298095;C=C(C(F)F)C(O)COC;DQPLMVRISJGJQC-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298096;MM298096;CC(C(=N)N)C(C#N)C#N;GALPGAXYLIIRJQ-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298097;MM298097;COCC(O)C(=O)C(C)C;XUWLFJAJBXKCAF-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298098;MM298098;CN(C)N=C(C=O)CC#N;IJSVJQKMUGZWCE-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298099;MM298099;CC(CCO)C(=N)N(C)C;LHCPDPVLUGOARQ-UHFFFAOYSA-N;144.22;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298100;MM298100;C=CC(C=C)C(C)C(=O)O;QJBCJSKTJBRJSK-UHFFFAOYSA-N;140.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298101;MM298101;CC(CCO)C(=N)N(C)O;CCEGJCRAIXSWNT-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298102;MM298102;N=c1c(=O)oc(O)cn1N;ATYVADFMIXFVLJ-UHFFFAOYSA-N;143.1;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298103;MM298103;CCCC(N)C(=N)N(C)O;PJIJFJOJINOLSE-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298104;MM298104;O=c1ncc(F)nc(=O)[nH]1;WSYMUCNCIIUPMV-UHFFFAOYSA-N;143.08;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298105;MM298105;CN(O)C(=N)C(N)CCF;YQVWLQSIDVXPDY-UHFFFAOYSA-N;149.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298106;MM298106;CC(C(=O)O)C(C#N)C#N;DGRSBNUAJBWCAV-UHFFFAOYSA-N;138.13;0.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298107;MM298107;CCCC(O)C(=N)N(C)C;GTGNRAHIJOUANW-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298108;MM298108;C=CC(C=O)C(C)C(=C)F;MAXQJRNWKXGQIH-UHFFFAOYSA-N;142.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298109;MM298109;CN(C)C(=N)C(O)CCF;NOUGDQQWFRBMTM-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298110;MM298110;C=CC(C=C)C(N)C(=C)C;NHFHLQNWCODTCX-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298111;MM298111;CN(N)C(=N)C(O)CCO;PTHYFMVNXLIPFQ-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298112;MM298112;C=CC(C=C)C(N)C(=C)F;BHUMWUTWOSZBOU-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298113;MM298113;CN(O)C(=N)C(O)CCN;UVJYVMCRXWBTTK-UHFFFAOYSA-N;147.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298114;MM298114;C=C(C)C(O)C(C#N)C=O;VUPBMHUDDGBRHY-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298115;MM298115;CCCC(F)C(=N)N(C)C;PRGIIUVQKJGACL-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298116;MM298116;C=CC(C=O)C(O)C(C)=O;XCJYCTHEOLOTPG-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298117;MM298117;C=NN(CCC)CC(N)=O;WOKSNVAIAWNBIX-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298118;MM298118;CC(=O)C(O)C(C=O)C=O;AUHHMFHGUCFWNF-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298119;MM298119;CNCC(C)C(=N)N(C)O;RHWJJUNBCSXHGU-UHFFFAOYSA-N;145.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298120;MM298120;CC(=O)C(O)C(C#N)C=O;WRXKQNLVFNODSD-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298121;MM298121;CNCC(O)C(=N)N(C)N;BZZPYGVSRWKSEW-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298122;MM298122;C=CC(C=C)C(O)C(=N)N;LOWUOPLCAXFQNN-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298123;MM298123;CNCC(O)C(=N)N(C)O;DHGKVOLUEMIRSW-UHFFFAOYSA-N;147.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298124;MM298124;N#CC(C=O)C(O)C(=N)N;KRCAJFZGPUDCIY-UHFFFAOYSA-N;141.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298125;MM298125;CNCC(O)C(=O)N(C)N;ZKPRHPCMULXMCU-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298126;MM298126;C=CC(C=C)C(O)C(N)=O;RWPRYBCYMWODNA-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298127;MM298127;COCC(C)C(=N)N(C)O;CUMPYCBPPIGZKE-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298128;MM298128;C=CC(C=O)C(O)C(N)=O;KQNSSQNKCUXYTB-UHFFFAOYSA-N;143.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298129;MM298129;COCC(N)C(=N)N(C)C;PEKZNPGJLUSEMB-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298130;MM298130;N#CC(C=O)C(O)C(N)=O;MAMLKMAIHOOAGF-UHFFFAOYSA-N;142.11;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298131;MM298131;COCC(O)C(=N)N(C)C;WTYJYFQWHGCLRU-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298132;MM298132;CC(=O)OC=CCC(=O)O;ADRPXYFLUNUTLE-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298133;MM298133;COCC(O)C(=N)N(C)N;KACFOMMQSBZBQM-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298134;MM298134;COCC(O)C(=O)N(C)C;WNNTYVREJBVJPU-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298135;MM298135;C=CC(C#N)C(O)C(=C)F;FWSUTZNLWIUKLL-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298136;MM298136;CCOC(C)C(=N)N(C)C;BDALMMJFZHJPPM-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298137;MM298137;C=C(F)C(O)C(C#N)C#N;OFQQXQBNLBVYHK-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298138;MM298138;CCOC(C)C(=O)N(C)C;ZZAPOCXCTHWMIN-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298139;MM298139;C=CC(C=O)C(F)C(=C)C;DJDMRBBLKYJDGV-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298140;MM298140;CC(C)C(=N)N(C)CCN;MYKKLIUPOVHWAM-UHFFFAOYSA-N;143.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298141;MM298141;C=CC(C=C)C(F)C(C)=O;SQBCEXYRSCFYEU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298142;MM298142;CC(N)C(=N)N(C)CCO;MUYDCAIQDYPHOG-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298143;MM298143;C=CC(C=O)C(F)C(C)=O;ULYKMAMSTGTHGK-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298144;MM298144;CC(O)C(=N)N(C)CCO;XLNBZVBHOKMNBY-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298145;MM298145;N#CC(C=O)C(F)C(N)=O;BCMZWHBBUBCTDI-UHFFFAOYSA-N;144.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298146;MM298146;C=CC(=CC(N)=O)CCF;LREWOPQWBASFOL-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298147;MM298147;C=CC(C=C)C(F)C(=O)O;WFDJVAJWXFWLMB-UHFFFAOYSA-N;144.15;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298148;MM298148;CCCN(N)C(=N)C(C)C;LTOVKLIFFSMRLQ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298149;MM298149;C=C(F)C(F)C(C#N)C=O;YOPLURPWBJMEIE-UHFFFAOYSA-N;145.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298150;MM298150;CC(C)C(=N)N(N)CCO;WZYLDYKXALKWJQ-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298151;MM298151;CC(=O)C(C)N(C=O)C=O;DCBFSHRLRBLKQS-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298152;MM298152;CCCN(N)C(=N)C(C)O;VMDGYILXXRDQAB-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298153;MM298153;C=CN(C=O)C(C)C(=N)N;AEVXCVQGNWKEPP-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298154;MM298154;CC(O)C(=N)N(N)CCO;ZWWVJPINUUJOHV-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298155;MM298155;C=CN(C=N)C(C)C(=C)F;CCNFFMDMDRGGCB-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298156;MM298156;CC(O)C(=N)N(N)CCF;RJZDHMILXVVOLH-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298157;MM298157;NN=CCOC=CC(N)=O;GTHCMGDUXUMIEB-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298158;MM298158;CC(C)C(=N)N(O)CCO;CULGUIVYOBEWJI-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298159;MM298159;CC(C)C(CC=O)NC=O;NQEYKTLOFYQHKE-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298160;MM298160;CCCN(O)C(=N)C(C)N;NIUMXQYLKXPCPB-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298161;MM298161;CC(=CCC(=O)O)OC=O;GBNMODUNJIXQLN-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298162;MM298162;CC#CC=CC=CC(N)=O;BFAASMPKOQUGDQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298163;MM298163;C=NN(C=O)C(C)C(=C)F;XATYLGRLJGBRJJ-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298164;MM298164;CC(C)C(=O)N(C)CCN;IMNPTIZMTXVVAS-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298165;MM298165;C=CC(C=C)N(C)C(C)=N;LQWILDXUGIDUNU-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298166;MM298166;CCCN(C)C(=O)C(C)O;KTLCZZZKLTTYSE-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298167;MM298167;C=CC(C=O)N(C)C(C)=N;SUYAHCOKRSXVIO-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298168;MM298168;CC(F)C(=O)N(C)CCO;FMPZOFQZKPXOFF-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298169;MM298169;C=CC(C#N)N(C)C(C)=N;DIALJLAEIGROEM-UHFFFAOYSA-N;137.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298170;MM298170;CCNN(C)C(=N)C(C)C;RSZPNNNCMBAVAV-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298171;MM298171;CC(=N)N(C)C(C#N)C=O;ORUWAGAEYIJPHL-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298172;MM298172;CCON(C)C(=N)C(C)N;WPOOOHWNZZGTSY-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298173;MM298173;C=CC(C#N)N(C)C(C)=O;WFJBETNPZOZTRB-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298174;MM298174;CCON(C)C(=O)C(F)F;USYIZAFABQLZNL-UHFFFAOYSA-N;153.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298175;MM298175;CCCN(C)C(=N)N(C)N;NOCWPJBKDTVKTF-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298176;MM298176;CC(=O)N(C)C(C#N)C=O;PSDQGESQBDGJOC-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298177;MM298177;CN(N)C(=N)N(C)CCO;SHZXGURXXVDSFV-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298178;MM298178;CC(=O)N(C)C(C#N)C#N;AWMGXXXODCZKRF-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298179;MM298179;CN(O)C(=N)N(C)CCN;BNYRQPUYVHWQBW-UHFFFAOYSA-N;146.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298180;MM298180;C=CC(C=O)N(C)C(=N)N;GPECGNGFZHJLHF-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298181;MM298181;CN(O)C(=N)N(C)CCO;BDTIZEYAOHBMPR-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298182;MM298182;CN(C(N)=O)C(C#N)C=O;MPMUYTSDHOZICC-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298183;MM298183;CCCN(N)C(=N)N(C)C;WXQIRYFGCZAKOZ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298184;MM298184;NC(=O)C1CN(CC=O)C1;KUQFONRNWAUDPQ-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298185;MM298185;CN(C)C(=N)N(N)CCO;VHTAQBPPAXQOCA-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298186;MM298186;N=C(N)n1oc(N)nc1=O;BNPHYSOTHWMQLJ-UHFFFAOYSA-N;143.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298187;MM298187;CN(N)C(=N)N(N)CCO;INHXKOJFYZPRTK-UHFFFAOYSA-N;147.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298188;MM298188;CC(=COC=O)CC(=O)O;NKLSDHHQIIWFII-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298189;MM298189;CCCN(N)C(=N)N(C)O;MMISQOQATKNLFT-UHFFFAOYSA-N;146.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298190;MM298190;CC(=N)N(C)N(C=N)C=N;MNFHPSLVMSHCSF-UHFFFAOYSA-N;141.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298191;MM298191;CN(C)C(=N)N(O)CCN;IWKPPHARCZXOBU-UHFFFAOYSA-N;146.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298192;MM298192;CC(=N)N(C)N(C=N)C=O;PUPQTATUVWFUQN-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298193;MM298193;CN(C)C(=N)N(O)CCO;JYNPZKPYMAEONV-UHFFFAOYSA-N;147.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298194;MM298194;CC(=N)N(C)N(C=O)C=O;IMSBQNYYDNRTDQ-UHFFFAOYSA-N;143.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298195;MM298195;CCCN(O)C(=N)N(C)N;CJFPEQWLDIOTID-UHFFFAOYSA-N;146.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298196;MM298196;CC(=O)N(C)N(C=O)C=O;HTPGWXJQARAQMZ-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298197;MM298197;CN(N)C(=N)N(O)CCO;HGQRXYRIFOXNSB-UHFFFAOYSA-N;148.17;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298198;MM298198;CN(C(=N)N)N(C=N)C=N;USYHXGFGARRYON-UHFFFAOYSA-N;142.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298199;MM298199;CN(N)C(=N)N(O)CCF;DFRRPHJNXOFUHZ-UHFFFAOYSA-N;150.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298200;MM298200;CN(C(=N)N)N(C=N)C=O;FIXBUFKWRBZZBP-UHFFFAOYSA-N;143.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298201;MM298201;CN(N)C(=O)N(C)CCF;YJPJGJGZALDPMH-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298202;MM298202;CN(C(=N)N)N(C=O)C=O;ZIOUNILMRLOMLW-UHFFFAOYSA-N;144.13;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298203;MM298203;CN(O)C(=O)N(C)CCN;YRJDQBIIVBAMIC-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298204;MM298204;CC=NOCCC(=O)CF;CYRLJLLMVIENRU-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298205;MM298205;CN(O)C(=O)N(C)CCF;IBGVNYROTWQHHM-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298206;MM298206;CN(C(N)=O)N(C=O)C=O;OVBBYYJZOQMPSJ-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298207;MM298207;CN(C)C(=O)N(N)CCF;MNNFNMJBOCANGZ-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298208;MM298208;C#CC(C=C)C(C)C(=C)C;ZYKBBZQUQYYCNN-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298209;MM298209;CCCN(N)C(=O)N(C)N;DSUIEPZJMIUJPD-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298210;MM298210;C#CC(C=O)C(C)C(=C)C;RLUOCDDOVARJME-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298211;MM298211;C=C(CC1CC1O)C(N)=O;PLBXETGOXOHQND-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298212;MM298212;C#CC(C=C)C(C)C(C)=O;RTEHTYFLBCYDAP-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298213;MM298213;CN(N)C(=O)N(N)CCF;CHYCPXLWFDOJOG-UHFFFAOYSA-N;150.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298214;MM298214;C#CC(C=C)C(C)C(N)=O;RPPKEPCIZMLBDG-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298215;MM298215;CCCN(N)C(=O)N(C)O;RNSDPMIURIXORB-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298216;MM298216;C#CC(C=C)C(C)C(=O)O;ZBNRZVLUOTZGTR-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298217;MM298217;CN(O)C(=O)N(N)CCO;SEZKADIRGDYBHP-UHFFFAOYSA-N;149.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298218;MM298218;CN(O)C(=O)N(N)CCF;MEUQGLYNFPGYEE-UHFFFAOYSA-N;151.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298219;MM298219;C#CC(C=C)C(N)C(=C)C;BMSRRDSKLIIDSC-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298220;MM298220;CN(C)C(=O)N(O)CCN;GZONHQFMASCXHZ-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298221;MM298221;C#CC(C=C)C(O)C(C)=O;WAANLFUUVGPWFG-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298222;MM298222;CN(C)C(=O)N(O)CCF;LJTHGXYWWKOLAV-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298223;MM298223;C#CC(C=O)C(O)C(C)=O;WIAGWKRFRANCEX-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298224;MM298224;CCCN(O)C(=O)N(C)N;RYRIMFPTZGHRIG-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298225;MM298225;C#CC(C=C)C(O)C(=N)N;QEYFNVYQALGTTJ-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298226;MM298226;CN(N)C(=O)N(O)CCO;LYNCAUZFZXZKEA-UHFFFAOYSA-N;149.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298227;MM298227;C#CC(C#N)C(O)C(=N)N;QYBGUUHJSOINTK-UHFFFAOYSA-N;137.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298228;MM298228;CN(N)C(=O)N(O)CCF;ZKYDJDJGJKQXNC-UHFFFAOYSA-N;151.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298229;MM298229;C#CC(C=C)C(O)C(N)=O;CNEISIVMVPMQNN-UHFFFAOYSA-N;139.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298230;MM298230;CCCN(O)C(=O)N(C)O;AVFZXGFDUAYHPH-UHFFFAOYSA-N;148.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298231;MM298231;C#CC(C#N)C(O)C(N)=O;UAJNEWJFBGTYQC-UHFFFAOYSA-N;138.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298232;MM298232;CCNN(C)C(=N)N(C)N;WQWQHHHHOQTJFN-UHFFFAOYSA-N;145.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298233;MM298233;CN(C)N=c1[nH]c(=O)[nH]o1;BDKKWEYBVDZKLM-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298234;MM298234;CCNN(C)C(=O)N(C)N;FNJUPVNXBNPFKR-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298235;MM298235;C#CC(C#N)C(F)C(=C)C;MSCZMPZIJIRLFG-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298236;MM298236;CCNN(C)C(=O)N(C)O;PIJCBYQCOCFYAY-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298237;MM298237;C#CC(C=O)C(F)C(N)=O;QYIZCJLAQVFVME-UHFFFAOYSA-N;143.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298238;MM298238;CCON(C)C(=N)N(C)C;BLDWEGKTXKLJGJ-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298239;MM298239;C#CC(C=O)N(C)C(C)=O;VWBGCKPMOWQIDF-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298240;MM298240;CCON(C)C(=N)N(C)O;POUCIHCBIJDHJX-UHFFFAOYSA-N;147.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298241;MM298241;C#CC(C=C)N(C)C(=N)N;ZZLBDKNCTYDLJR-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298242;MM298242;CCON(C)C(=O)N(C)C;YNCOGKZKBRTPST-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298243;MM298243;C#CC(C#N)N(C)C(=N)N;FKOXXMVBBWSYET-UHFFFAOYSA-N;136.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298244;MM298244;C=C(C(C)C)C(C)CC=O;ICRSXLNFVUVQTL-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298245;MM298245;C#CC(C=O)N(C)C(N)=O;HLTJODXMTWIQMO-UHFFFAOYSA-N;140.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298246;MM298246;C#CC(C)(CC)CNC=O;GEUGQGFHMXQZCZ-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298247;MM298247;C#CC(C#N)N(C)C(N)=O;UHJJCKVDVIYJSD-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298248;MM298248;C=C(C(C)F)C(C)CC=O;LTRBVRVSVHKOIL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298249;MM298249;C#CC(C=C)N(N)C(=N)N;VOEBURYHRDONOU-UHFFFAOYSA-N;138.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298250;MM298250;C=C(C(F)F)C(C)CC=O;NUNODIFUIBTNNW-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298251;MM298251;C=CCC(CNC=O)=NN;ARRJAANCNPINBL-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298252;MM298252;C=CCC(N)C(=C)C(C)C;WDFNRXKIDISUJM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298253;MM298253;C#CC1(C=C)NC1CC=O;MJUREJKTJUKFMC-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298254;MM298254;C=CCC(N)C(=C)C(C)N;XOWQQQUSEOQOMO-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298255;MM298255;C=CCC(N)C(=C)C(C)F;ZCKJPIWUXNCRBV-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298256;MM298256;CNc1[nH]nc(C=O)c1N;KCPMGURLYIOEQD-UHFFFAOYSA-N;140.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298257;MM298257;C#CC(C=CC(N)=O)=CC;RMMKYBAFNUCUSA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298258;MM298258;C#CC(C#C)C(C)C(=C)C;FKOQEISCQJSFMA-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298259;MM298259;C=C(C(C)C)C(O)CC=O;GOVFTECAUMQGSW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298260;MM298260;C#CC(C#C)C(C)C(C)=O;WIGHMTQKHRDVSP-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298261;MM298261;C=C(C(C)O)C(O)CC=O;MSPUKWFKNUHUOW-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298262;MM298262;C#CC(C#C)C(C)C(=N)N;UDYNBMVLQBFHTD-UHFFFAOYSA-N;134.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298263;MM298263;C=C(C(C)O)C(F)CC=O;RPOWNDPOOZQSCY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298264;MM298264;C#CC(C#C)C(C)C(=C)F;LMVVXYIBVAHZBY-UHFFFAOYSA-N;136.17;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298265;MM298265;C=CCC(C)C(=O)C(C)C;VRXFQUUCNIHYOQ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298266;MM298266;C#CC(C#C)C(N)C(=C)C;PEAGEPOIEASAJB-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298267;MM298267;N#CCC(F)C(=O)C(F)F;CYFUSDPPIZKCEY-UHFFFAOYSA-N;151.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298268;MM298268;C#CC(C#C)C(N)C(=N)N;PRMWAGPEICAFAJ-UHFFFAOYSA-N;135.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298269;MM298269;C=C(C(C)C)C(C)NC=N;RLFSSTWARHPIRQ-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298270;MM298270;C=C(C(C)C)C(CN)CN;WHRBNMAUOXAYHW-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298271;MM298271;C=C(C(C)N)C(C)NC=N;WKROGMJAOQIPRZ-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298272;MM298272;C=C(C(C)N)C(CC)CC;AEFKVQHLHJHAGJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298273;MM298273;C=C(C(C)F)C(C)NC=N;GPLWDYIPNOUFIF-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298274;MM298274;C=C(C(C)N)C(CO)CO;ZUFQDTBZNAUOCM-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298275;MM298275;C#CC(C=O)N(C=N)N=C;UMMPDYLGQHVPMV-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298276;MM298276;C=C(C(C)O)C(CO)CO;DHXVYZLAUCWINE-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298277;MM298277;CC(N=CN)C(=O)C(F)F;FSJHMJKDRBDNQK-UHFFFAOYSA-N;150.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298278;MM298278;C=C(C(C)F)C(CN)CN;WTEQKECBEUPAET-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298279;MM298279;C=NNC(C)C(=C)C(C)C;JCCPPKJITQLUDX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298280;MM298280;C=C(C(F)F)C(CN)CO;FCRSAENFWNYAQH-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298281;MM298281;C=CCN1C=NC(=NC)C1;LHMPFHCUNOZCGU-UHFFFAOYSA-N;137.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298282;MM298282;CC(O)C(=O)C(CO)CO;XLGIYAMVHFTUKZ-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298283;MM298283;COc1c[nH]c(N=N)c1C;KNQSCQGYSUDQII-UHFFFAOYSA-N;139.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298284;MM298284;O=C(C(F)F)C(CO)CO;BUCNJLXWIZMYIE-UHFFFAOYSA-N;154.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298285;MM298285;C=CCC(N)C(=N)N(C)C;XZXIXWUHFCPFGB-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298286;MM298286;C=C(C(C)C)C(CN)NC;XBIWKNNHIUUQAF-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298287;MM298287;CN(C)C(=N)C(O)CC=O;RXBBNQINYXVQLL-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298288;MM298288;C=C(C(C)C)C(CO)OC;HERTYVSMAQKWPJ-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298289;MM298289;O=CNCC1CC1;XABBWSLQKRPYMM-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298290;MM298290;C=C(C(C)F)C(CN)OC;NSKILKYMCHZQCK-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298291;MM298291;CCC1(C)NC1C(N)=O;DUPZTLJNPLBNNV-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298292;MM298292;C=C(C(C)F)C(CO)OC;HHMDPVUTOJPQGL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298293;MM298293;CNC(=O)CC1(C)CC1;INUHXAUBIBWREW-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298294;MM298294;C=C(C(F)F)C(CO)OC;XXJUDCPBKOFGPO-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298295;MM298295;CC(CC=O)C(=O)N(C)O;XHVAAAGSRGKQOR-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298296;MM298296;C=C(C(C)F)C(OC)OC;QRVJXFFUXCRBFK-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298297;MM298297;CN(C)C(=O)C(O)CC=O;IYYHMMVEPLRFOM-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298298;MM298298;CCC(CC)C(=N)N(C)N;VDZKLGWDXRNZEF-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298299;MM298299;CN(C)C(=O)C(O)CC#N;RCLUVDZLDKKDHU-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298300;MM298300;CCC(CC)C(=N)N(C)O;SJYKQILGJCQEDD-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298301;MM298301;C=CCC(F)C(=O)N(C)C;MYRJEHXLOVCFIG-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298302;MM298302;CCC(CN)C(=N)N(C)O;QQICKSSALGZUST-UHFFFAOYSA-N;145.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298303;MM298303;CC(N=CN)C(=O)N(C)C;MEHNNYBXXZGDRO-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298304;MM298304;CCC(CO)C(=N)N(C)O;YRZFOZFPIFGAHV-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298305;MM298305;CC(N=CN)C(=O)N(C)N;PCTOQDYCLSFJAW-UHFFFAOYSA-N;144.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298306;MM298306;CN(C)C(=O)C(CO)CO;KAXYMYIRBGBBLI-UHFFFAOYSA-N;147.17;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298307;MM298307;CC(OC=O)C(=N)N(C)C;XPFBDVUKUAVUSW-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298308;MM298308;CCC(CC)C(=O)N(C)N;RRIUCJOQNRRABI-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298309;MM298309;C=COC(C)C(=O)N(C)C;UTIYAARDDDZXOG-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298310;MM298310;CCC(CC)C(=O)N(C)O;YMVKNEPDDGXLGM-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298311;MM298311;CC(CF)=NNCC=O;BKBKVEFEMFGWDM-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298312;MM298312;CNC(CO)C(=N)N(C)C;QFUIVWFOHPWVIX-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298313;MM298313;CC(O)C(=O)N(C)CC=O;MOPCVNCAQDSRMX-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298314;MM298314;CNC(CO)C(=N)N(C)N;KNIQJPNSFWJAOF-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298315;MM298315;CC(O)C(=O)N(C)CC#N;RUGUCBOZNIOOKZ-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298316;MM298316;CCC(NC)C(=O)N(C)N;JTDLZZDODXITCY-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298317;MM298317;CC(N)C(=N)N(C)NC=N;JDTPIINTQUKEKC-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298318;MM298318;CCC(OC)C(=N)N(C)C;LNCFBQVFLTVNBM-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298319;MM298319;COC(CN)C(=N)N(C)C;HHANPOUQJMFIJQ-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298320;MM298320;CC(N)C(=N)N(C)NC=O;FWDNNEXEXGVAED-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298321;MM298321;COC(CO)C(=N)N(C)C;AKVNRTVOMMWIBQ-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298322;MM298322;CC(O)C(=N)N(C)NC=N;DVLWSAHOWJEWFC-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298323;MM298323;COC(CO)C(=N)N(C)N;YLJIQWWZIPGYEC-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298324;MM298324;CC(F)C(=N)N(C)NC=N;MLSZVOFCCBEISB-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298325;MM298325;COC(CF)C(=O)N(C)C;BTGWFIGQPMOEEZ-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298326;MM298326;NC(=O)C=C(N)N1CC1;LABFHQMWPAMIEZ-UHFFFAOYSA-N;127.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298327;MM298327;CCN(NC)C(=N)C(C)O;XDLVXPGLFBFNNS-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298328;MM298328;CC(O)C(=O)N(C)NC=O;STRKDUKQDANXDZ-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298329;MM298329;COCCNC=O;SSQTXMAIJVOVIP-UHFFFAOYSA-N;103.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298330;MM298330;CCCC1NC1C(N)=O;CPXNTZJSJHXSCK-UHFFFAOYSA-N;128.18;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298331;MM298331;CCN(CC)C(=O)N(C)C;YKOOCUFOHAVPKY-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298332;MM298332;CC(F)C(=O)N(C)NC=O;YBJACJFDUMFCLK-UHFFFAOYSA-N;148.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298333;MM298333;CCN(NC)C(=N)N(C)C;OMTLSIRWHORGBN-UHFFFAOYSA-N;144.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298334;MM298334;CC(N)C(=N)N(C)OC=O;RSJUPXFSZUFXFN-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298335;MM298335;CCN(NC)C(=N)N(C)N;RPSJBQFTDGZIPW-UHFFFAOYSA-N;145.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298336;MM298336;CCCN1CC1C(N)=O;WACGDQBNESBYMA-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298337;MM298337;CCN(OC)C(=N)N(C)C;STMPTCKRMZDCIX-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298338;MM298338;CN(C)C(=O)N(C)CC#N;COULCWXFKZLLED-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298339;MM298339;C=C(C(C)C)C(C#N)CC;JLUIQMGTLHFEIG-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298340;MM298340;CN(O)C(=O)N(C)CC=O;FALRJJUNFXRVFZ-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298341;MM298341;C=C(C(C)C)C(C#N)CO;APTWHULDHAIQTA-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298342;MM298342;C=CCN(N)C(=O)N(C)N;GKLZYZJKHLEPRV-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298343;MM298343;C=CC(CC)C(=C)C(C)N;KOFZPMLFCAFQHF-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298344;MM298344;CN(C)C(=O)N(O)CC=O;AQBQWTKUPWNNAF-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298345;MM298345;C=CC(CN)C(=C)C(C)N;KAJMNMAVKDDJDX-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298346;MM298346;CN(C)C(=N)N(C)NC=N;YVSIAATXXDUDEC-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298347;MM298347;C=CC(CO)C(=C)C(C)N;QWPAEYRRUJHYEV-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298348;MM298348;CN(C)C(=N)N(C)NC=O;ZZPIGTNFGSIIBP-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298349;MM298349;C#CC=C(C)C(N)=O;PDBSWSWISKRJDE-UHFFFAOYSA-N;109.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298350;MM298350;CN(N)C(=N)N(C)NC=N;LZJSFFGPOOWDBT-UHFFFAOYSA-N;144.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298351;MM298351;C=C(C(F)F)C(C=O)CC;AMJKSKKFUGBHDI-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298352;MM298352;CN(N)C(=N)N(C)NC=O;JFGZMWXWJICSIX-UHFFFAOYSA-N;145.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298353;MM298353;C=CC(CN)C(=C)C(F)F;VLGJUOHEPXQLTP-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298354;MM298354;CN(O)C(=N)N(C)NC=O;MIYHRCBQSXEPNS-UHFFFAOYSA-N;146.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298355;MM298355;C=C(C(F)F)C(C#N)CO;FOWUKTAPVOAXRU-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298356;MM298356;CN(C)C(=O)N(C)NC=N;PTSCULWCYYSKLV-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298357;MM298357;C=CC(CF)C(=O)C(C)C;UNYKWCNOOBPBRD-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298358;MM298358;CN(C)C(=O)N(C)NC=O;XBGIUZHCLSNHQE-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298359;MM298359;CC(O)C(=O)C(C=O)CO;BFPPXDWXKJQCPX-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298360;MM298360;CN(N)C(=O)N(C)NC=N;PCTWMAHQZBOQOX-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298361;MM298361;C=CC(CC)C(=O)C(C)F;SRWBKJWFAKDKPU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298362;MM298362;CN(N)C(=O)N(C)NC=O;RVUCMDTUSYYOBM-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298363;MM298363;C=CC(CF)C(=O)C(C)F;PVPCBKNQXWITFW-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298364;MM298364;C=CC(NC)C(=C)C(C)O;SWMUEENTDSKNEX-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298365;MM298365;CN(O)C(=O)N(C)NC=N;NAXRRLLSHJRHHE-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298366;MM298366;C=CC(NC)C(=C)C(C)F;OTRZQMRUGHHRPY-UHFFFAOYSA-N;143.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298367;MM298367;CN(N)C(=N)N(C)OC=O;IPXSBAPJIBPORG-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298368;MM298368;CC(C=CC(N)=O)=CF;NRHZBIFSYDRZND-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298369;MM298369;CCCC(=O)NC(C)(C)C;CABJJNMRUWQXNR-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298370;MM298370;C=CC(OC)C(=O)C(C)O;LJVANOQGVGAMQB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298371;MM298371;C#CCC(N)C(=C)C(C)N;UDDPWIYNCHPPQH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298372;MM298372;COC(C=O)C(=O)C(F)F;HXTINADKVZEIGI-UHFFFAOYSA-N;152.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298373;MM298373;C#CCC(N)C(=C)C(C)O;YEPHHMUIFGFMFR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298374;MM298374;CN(C)C(=N)C(C=O)CO;KJIPZNDOMXTVFD-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298375;MM298375;CC(=CC(C)(C)F)C(N)=O;IBFAAZSAUMWNGA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298376;MM298376;C=CC(CF)C(=N)N(C)C;DLJNTBBPINEGNV-UHFFFAOYSA-N;144.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298377;MM298377;C#CCC(C)C(=O)C(C)C;YOMUZLDSJASLMY-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298378;MM298378;C=CC(CC)C(=N)N(C)N;JUZLLLQIPUKJFR-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298379;MM298379;C#CCC(C)C(=N)N(C)O;TUQMRIXTOXUJDX-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298380;MM298380;C=CC(CO)C(=N)N(C)N;PZTHJDSIRUNJHY-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298381;MM298381;C#CCC(O)C(=N)N(C)C;TYKJWZQUPPWHLM-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298382;MM298382;C#CCC(=C)CNC=O;FMOIZZXWLYKBSZ-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298383;MM298383;C#CCC(O)C(=N)N(C)N;HDPCWHUSJKVKLN-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298384;MM298384;CN(C)C(=O)C(C#N)CO;JMYRCQNSWUPXAA-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298385;MM298385;C#CCC(C)C(=O)N(C)N;RCOXYWABGVWPEW-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298386;MM298386;C=CC(CF)C(=O)N(C)C;RCQKUUUNMSQPSY-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298387;MM298387;C#CCC(C)C(=O)N(C)O;FSAVWYHCQCOBHJ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298388;MM298388;C=CC(CC)C(=O)N(C)N;GEJBQKWTQXIMJB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298389;MM298389;CC(C)(CCC=O)C(N)=O;PBGLWNRSBYNHAI-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298390;MM298390;C=CC(CC)C(=O)N(C)O;NIXVFSYCUDNCQK-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298391;MM298391;CC(C)C#CC=CC(N)=O;QWGQWCFYXOWVHV-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298392;MM298392;CCC(C=O)C(=O)N(C)O;QBQZXUCVCNEGNC-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298393;MM298393;C#CCN(C)C(=N)C(F)F;SFFXDVYOCHTOQV-UHFFFAOYSA-N;146.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298394;MM298394;C=CC(CO)C(=O)N(C)O;HLZQCOLINWWFCP-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298395;MM298395;C#CCN(N)C(=N)C(C)C;GMGSYULDPGHGDQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298396;MM298396;CN(O)C(=O)C(C=O)CO;MQSYJMNHWPKKEW-UHFFFAOYSA-N;147.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298397;MM298397;C#CCN(C)C(=O)C(F)F;MCGWVKJHZHCGTD-UHFFFAOYSA-N;147.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298398;MM298398;C=CC(NC)C(=N)N(C)C;SQCVVVFKAQXFIR-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298399;MM298399;CC(=CC(C)C=O)C(N)=O;MYTXXCXORYFUBK-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298400;MM298400;CNC(C=O)C(=N)N(C)C;GLHWLQIERUHVDA-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298401;MM298401;C#CCN(N)C(=O)C(F)F;STIRKZNDFUMDHX-UHFFFAOYSA-N;148.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298402;MM298402;C#CCC=CC(=O)NC;ZCQJQDDRSMVEEV-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298403;MM298403;C#CCN(N)C(=N)N(C)N;SWFSJARNEVNSEQ-UHFFFAOYSA-N;141.18;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298404;MM298404;C#CCN(C)C(=O)N(C)N;AASWPFQNNBEYQO-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298405;MM298405;C=CC(OC)C(=N)N(C)C;ILDPAZOQEBARMF-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298406;MM298406;C#CCN(N)C(=O)N(C)C;IFUVEAMHRXMMSJ-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298407;MM298407;CC(C)C(=O)NC1CC1;MZKNSTYQEMDKTP-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298408;MM298408;C#CCN(N)C(=O)N(C)N;HTAFUIGYNXCZOU-UHFFFAOYSA-N;142.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298409;MM298409;COC(C#N)C(=O)N(C)C;FGFCHRNPKJAVQL-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298410;MM298410;C=C(C)C(=C)C(C)CCN;NHLBEBDKIANOTA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298411;MM298411;CCN(C=N)C(=N)C(C)N;UOHFATGZXWIWDX-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298412;MM298412;C=NN=C(C)CCC(N)=O;DEYWSUHVBOWMOK-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298413;MM298413;C=CN(CC)C(=N)C(C)O;WNNKMAUEMWPFKP-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298414;MM298414;C=C(C(C)=O)C(C)CCF;ZPANTUSCRMVNET-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298415;MM298415;CCN(C=N)C(=N)C(C)O;NUWDOJVMTJATSC-UHFFFAOYSA-N;143.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298416;MM298416;C=C(C(=N)N)C(C)CCN;MFUSOZHHSSKNLN-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298417;MM298417;C=CN(CC)C(=O)C(F)F;HUMNGZNOTCSZOU-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298418;MM298418;C=C(C(=N)N)C(C)CCO;IBRBYVBNMVPAPI-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298419;MM298419;C=NN(CC)C(=N)C(C)F;DFFDMDGFAYAWHT-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298420;MM298420;CC(C=CC(N)=O)=CCF;XYOUXZUUABTJJW-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298421;MM298421;O=C(CF)CCN1CC1;XWPHYRRWKBCCLW-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298422;MM298422;C=C(C(=O)O)C(C)CCF;MKAVYDUNYLQVDF-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298423;MM298423;C=C(C(C)C)N(C=O)NC;XUXOZIGTXMDMAE-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298424;MM298424;C=C(F)C(=C)C(C)CCN;LKEMYODLUCDOHV-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298425;MM298425;C=C(C(C)O)N(C=N)NC;SIDOXVWGMVIHBP-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298426;MM298426;CC(=CC=CC(N)=O)CF;HTAKJBGTZURKOB-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298427;MM298427;CNN(C=N)C(=N)C(C)C;IBCXLWPSFVEYMG-UHFFFAOYSA-N;142.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298428;MM298428;C=C(C(C)=O)C(O)CCC;OEHAAJTZUJQOQB-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298429;MM298429;NN=CCC#CCCO;HSSNWKLFIABHLF-UHFFFAOYSA-N;126.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298430;MM298430;C=C(C(C)=O)C(F)CCF;YOMVRUFMZPKLQU-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298431;MM298431;CCC(=O)NC1(C)CC1C;KPVASVVBPIKYHG-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298432;MM298432;C=CCC(C)NC(=O)CC;UJBVTOFFSHXOEW-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298433;MM298433;CON=C(C)CCNC=O;KPCBNHXMZODISF-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298434;MM298434;C=C(C)C(=O)C(C)CCF;QWRPAZHOSGKMCI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298435;MM298435;CC(C)N(C(N)=O)N(C)C;UCAVQIMCNIVPKL-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298436;MM298436;CC(=O)C(=O)C(C)CCF;PXGKFABDLBOWMM-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298437;MM298437;CC(=O)C(C(N)=O)=C(C)C;JBVWWMJQTBGSFP-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298438;MM298438;CCCC(C)C(=O)C(=N)N;PCJKCMRFDVDLRE-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298439;MM298439;C=CN(OC)C(=N)C(C)N;SCDUMNGZOQIMOS-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298440;MM298440;C=C(F)C(=O)C(C)CCF;KEXQGBKWXZNEKE-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298441;MM298441;CON(C=O)C(=N)C(C)O;XJYKVEDYROHKOT-UHFFFAOYSA-N;146.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298442;MM298442;CCC(=CC(C)F)C(N)=O;CHUWTXLXOBDIIV-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298443;MM298443;CON(C=N)C(=O)C(C)O;ODUUKBNAANNQKD-UHFFFAOYSA-N;146.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298444;MM298444;C=C(C)C(=O)C(F)CCF;VGAQXZYRBBEBDC-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298445;MM298445;CON(C=O)C(=O)C(C)O;KVLVNSKMHCLKRU-UHFFFAOYSA-N;147.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298446;MM298446;O=C(O)C(=O)C(F)CCF;GTDSYQGADIAPQD-UHFFFAOYSA-N;152.1;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298447;MM298447;C=CN(OC)C(=O)C(F)F;BAMLUFCFDLXAGT-UHFFFAOYSA-N;151.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298448;MM298448;C=C(C)C(=C)C(C)CNC;SQSVYFUHDJPQDC-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298449;MM298449;CCN(C=N)C(=N)N(C)N;XKJDLDLCWPIFOX-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298450;MM298450;C=C(C(C)=O)C(C)CNC;ZTXWHMLDDVLRKR-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298451;MM298451;CCN(C=N)C(=N)N(C)O;JDKLZGOQWRGVIG-UHFFFAOYSA-N;144.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298452;MM298452;C=C(C(=N)N)C(C)CNC;JNJRQZNNOBFKMV-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298453;MM298453;C=CN(CC)C(=O)N(C)C;ZAYFWSBXBNBVRR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298454;MM298454;C=C(C(N)=O)C(C)CNC;INJIGXYQZHLOII-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298455;MM298455;C=CN(NC)C(=N)N(C)C;QHHXYFSTEPHKMA-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298456;MM298456;C=C(F)C(=C)C(C)CNC;KISVUABIIDYKMX-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298457;MM298457;CNN(C=N)C(=N)N(C)C;FQQHDMGNJNXLOG-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298458;MM298458;C=C(C)C(=C)C(F)CNC;MWPDBNFSVNTYPT-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298459;MM298459;CNN(C=N)C(=N)N(C)N;OCZHZJQQNTZGSX-UHFFFAOYSA-N;144.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298460;MM298460;C=C(C(C)=O)C(F)CNC;XCTBXSBJNAHMLW-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298461;MM298461;CNN(C=O)C(=N)N(C)N;GIKGQONWZPIGBT-UHFFFAOYSA-N;145.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298462;MM298462;C=C(C)C(=O)C(C)CNC;QGYDFHNDGCMBHR-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298463;MM298463;CNN(C=N)C(=O)N(C)C;YTJKEIPYAYNDCE-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298464;MM298464;C=C(F)C(=O)C(C)CNC;IQFQKNXSRKXDRC-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298465;MM298465;CNN(C=O)C(=O)N(C)C;OKLJAPXSARPAJA-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298466;MM298466;C=C(C(C)=O)C(O)COC;ZDKBUXVBWWBPAE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298467;MM298467;C=CN(NC)C(=O)N(C)N;PGZPGYFUHFWYPN-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298468;MM298468;C=C(F)C(=C)C(O)COC;IQEHLUIPZIZADE-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298469;MM298469;CNN(C=N)C(=O)N(C)N;IPNRUBILECCXNF-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298470;MM298470;CON=CCCCC(N)=O;XBGIIACUESAOHE-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298471;MM298471;CNN(C=O)C(=O)N(C)N;MNUPPTQPERIUKA-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298472;MM298472;C=C(C)C(=O)C(O)COC;WEHFVIJGVWSUQA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298473;MM298473;CNN(C=N)C(=O)N(C)O;KMUAYYSBTWJIBF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298474;MM298474;CCCC=NNCC(N)=O;LVFOUWMZLWXDQN-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298475;MM298475;CNN(C=O)C(=O)N(C)O;CWRRECLLZKRENZ-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298476;MM298476;COCC(O)C(=O)C(N)=O;KSMOSGJTFZUHKR-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298477;MM298477;CON(C=N)C(=N)N(C)C;FLEMKZVEDMKCIF-UHFFFAOYSA-N;144.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298478;MM298478;COCC(F)C(=O)C(C)=O;GQWZUZCWJHCOQU-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298479;MM298479;C=C(CO)CCC(=O)NC;QKDXJIKUHIIITO-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298480;MM298480;CC=NN=CCCC(N)=O;KCOQVCQEJNZSCB-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298481;MM298481;C#CC(CN)C(=C)C(C)O;LWLIABVEPCHKCA-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298482;MM298482;C=C(C)C(=C)C(C)NCC;VZMRZWDVNSVRSC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298483;MM298483;C#CC(CN)C(=C)C(C)F;FULADGOLBLTIQZ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298484;MM298484;C=C(C(C)=O)C(C)NCC;XIGPSIWSTZGUDK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298485;MM298485;C#CC(CC)C(=O)C(C)F;UAXOMLJTOZDMOA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298486;MM298486;C=C(C(=N)N)C(C)NCC;BOUFDCZETOCHQB-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298487;MM298487;C#CC(NC)C(=C)C(C)C;HGEKWUWPNFEFSS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298488;MM298488;C=C(C)C(=O)C(C)NCC;JJJMPCHTYDSXPJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298489;MM298489;C#CC(OC)C(=C)C(C)C;JKEBPDCMZJPZID-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298490;MM298490;CCOC(C)C(=O)C(=N)N;UBUWNQSEYYJGFE-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298491;MM298491;C#CC(OC)C(=O)C(C)O;NASMWIHRRQTMKW-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298492;MM298492;CCOC(C)C(=O)C(N)=O;GDICSIQAWPGLMY-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298493;MM298493;C#CC(CC)C(=N)N(C)N;ADFMZYFNZJOGMH-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298494;MM298494;C=Cn1nnc(=N)c(O)n1;HUQUFSUDUKBQDH-UHFFFAOYSA-N;139.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298495;MM298495;C#CC(CO)C(=N)N(C)N;IUYMABYXIQTHSK-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298496;MM298496;CCCN(C)C(=N)C(=N)N;JPWHZUBUCHOCKA-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298497;MM298497;C#CC(CC)C(=O)N(C)N;IXLNVPLBSGPGPR-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298498;MM298498;CN(CCN)C(=N)C(=N)N;FHOARWKVBMCBJM-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298499;MM298499;C#CC(C#C)C=CC(N)=O;LJOANPORKWVCOK-UHFFFAOYSA-N;133.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298500;MM298500;CN(CCO)C(=N)C(=N)N;PVGRUSQTSGMHBF-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298501;MM298501;C#CC(OC)C(=O)N(C)C;RYYHWKRPDVJZSR-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298502;MM298502;N=C(N)C(=N)N(N)CCO;OJFSYWSBRRERBL-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298503;MM298503;C=C(C(C)C)C(C=O)C=O;NAASTNZAARVMJT-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298504;MM298504;CNN=C(C)CCNC=O;ZRFCIDPCBKVNGB-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298505;MM298505;C=CC(C=C)C(=O)C(C)C;WVBRFDBTYIWXIW-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298506;MM298506;O=C(O)C1CC1(F)CO;RXIDABFEUOURPA-UHFFFAOYSA-N;134.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298507;MM298507;C=CC(C=O)C(=O)C(C)C;NJRKYVLNRJSDFK-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298508;MM298508;CC=CC(C)=NNCC=O;BZFFRFRYLVILSE-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298509;MM298509;CNN=c1[nH]c(=O)[nH]o1;XJLUJAXTULVAKU-UHFFFAOYSA-N;130.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298510;MM298510;CC(C=CF)=NNCC=O;PAGPNCGQDMAEKA-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298511;MM298511;C=CC(C=C)C(=O)C(C)O;VADWXLDAESZMIX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298512;MM298512;N=C(N)C(=N)N(O)CCO;KALNPOYCSBNMSW-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298513;MM298513;C=CC(C=O)C(=O)C(C)O;JUUCLGVPPFFFQQ-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298514;MM298514;N=C(N)C(=N)N(O)CCF;QBSFZSBDAZIDQA-UHFFFAOYSA-N;148.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298515;MM298515;CCNN=c1[nH]c(=O)[nH]o1;ZMAIJWFLBBDJAD-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298516;MM298516;CCC(CF)=C(C)C(N)=O;MKIKCDJYPAAJOH-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298517;MM298517;C=CC(C=C)C(=O)C(F)F;ZIMMFSVXFJCDBQ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298518;MM298518;Oc1noc(O)n1;XDENVSFWQSKKLZ-UHFFFAOYSA-N;102.05;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298519;MM298519;C=COC=C(F)CC(=O)O;ISODPIDRZSMGEQ-UHFFFAOYSA-N;146.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298520;MM298520;CON=CCC(=O)C(C)C;MYNLFPMSQMAIKL-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298521;MM298521;C=CC(C=O)C(=N)N(C)C;PPZDFONQPMMAGB-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298522;MM298522;CN(CCN)C(=O)C(=N)N;LCUISLBDJHQRPG-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298523;MM298523;CN(C)C(=N)C(C#N)C=O;PYUUQFDTOHMRTM-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298524;MM298524;CN(CCO)C(=O)C(N)=O;OBNXLONCAHQVCK-UHFFFAOYSA-N;146.15;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298525;MM298525;CCC(=O)NC1(CC)CC1;LITURNRDBNPEDY-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298526;MM298526;CNc1onc(F)c1O;GRGAXLCVKXYGGN-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298527;MM298527;C=CC(C=C)C(=O)N(C)N;HPFCXVYUXOFJEP-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298528;MM298528;C=C(F)C(=O)N(C)CCN;OTEFAVDALDJIFZ-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298529;MM298529;CCC(C)(C(N)=O)C(=O)O;LYRJONPZYBDVJR-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298530;MM298530;C=C(C)C(=O)N(N)CCF;MXTNFGOVHHXARR-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298531;MM298531;C=CN(C=O)C(=C)C(C)N;QYYADRJCHWVDPP-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298532;MM298532;C=C(C)C(C)=NNCC=O;HHYYWGNHVIZHIY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298533;MM298533;C=CN(C=O)C(=C)C(C)O;SXURCBBUAIQATD-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298534;MM298534;C#CCC(N)=C(C)C(N)=O;CDPNBMIECYOUFG-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298535;MM298535;C=C(C(C)O)N(C=N)C=N;PZVSNWRTFIUCDL-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298536;MM298536;Cc1c(C=O)noc1O;HLLUXZSNTGDOSQ-UHFFFAOYSA-N;127.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298537;MM298537;C#CC(=O)CC=NNCC;YFHHVBZRBYVKIF-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298538;MM298538;C=NNCC(C)CNC=O;JYEAKGPNFWGQHM-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298539;MM298539;C=C(C(C)F)N(C=O)C=O;JUSAHCPMJFHYBM-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298540;MM298540;CCON(C)C(=N)C(=N)N;NBFMBCRNSWWLLE-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298541;MM298541;C=CN(C=N)C(=N)C(C)N;BUOWNYPPGAIXMG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298542;MM298542;C=CC(C)=NN=CC(=O)O;BHCJHDFZTXDZGF-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298543;MM298543;C=CN(C=C)C(=N)C(C)O;YFFAGPYUEVJGOI-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298544;MM298544;CCON(C)C(=O)C(=N)N;RYCJRPXKUCIDIS-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298545;MM298545;C=CN(C=N)C(=N)C(C)O;PPBNFUMHVKISGD-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298546;MM298546;CCON(C)C(=O)C(N)=O;QXLVQORDTYFNBH-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298547;MM298547;CC(O)C(=N)N(C=O)C=O;UDTXTPKZEPRKHL-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298548;MM298548;C=CCC(C)C(=C)C(=C)C;DOBKQUHPKKCMBV-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298549;MM298549;CC(F)C(=N)N(C=N)C=O;CRRMTUOLKACCPE-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298550;MM298550;C=C(C)C(=C)C(C)CC#N;LETFZSRVGCEAAT-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298551;MM298551;CC(F)C(=N)N(C=O)C=O;GSDPDZACYIQYPW-UHFFFAOYSA-N;146.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298552;MM298552;CC(CC=NN)CNC=O;HEUYFIBEAPODPT-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298553;MM298553;C=CN(C=C)C(=N)C(F)F;ADCPAWXBZWTLCK-UHFFFAOYSA-N;146.14;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298554;MM298554;C=CCC(C)C(=C)C(=O)O;JXHJYNILGXIKFB-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298555;MM298555;C=NN=CCC#CCCO;JJRLCEMUQBBRMO-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298556;MM298556;C=C(C)C=NN=CC(=O)O;ACYXRZFTKGLXOM-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298557;MM298557;C=CN(C=O)C(=O)C(C)O;PVGCADZDSMWCPH-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298558;MM298558;C=C(F)C(=C)C(C)CC=O;QNELBVUJSXRGCX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298559;MM298559;CC(O)C(=O)N(C=N)C=N;ONPSFLWXVCXNNY-UHFFFAOYSA-N;143.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298560;MM298560;C=C(F)C(=C)C(C)CC#N;DCYUMFDTITZHQW-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298561;MM298561;CC(O)C(=O)N(C=N)C=O;RFERTILWUNGTAT-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298562;MM298562;C=C(C)C(=C)C(O)CC#N;ZQDDNDHVEZUYIO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298563;MM298563;CC(O)C(=O)N(C=O)C=O;NLAANQHLLXTWKZ-UHFFFAOYSA-N;145.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298564;MM298564;C=C(C(C)=O)C(O)CC#N;OGNWAENOSSXUBG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298565;MM298565;C=CN(C=C)C(=O)C(C)F;QTMUMWUOEMNECI-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298566;MM298566;C=CCC(O)C(=C)C(=N)N;MFDBADGQAINRQZ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298567;MM298567;C#CC(C#CC1CN1)CO;POYXNWUHUHFFOI-UHFFFAOYSA-N;135.17;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298568;MM298568;C=C(C(N)=O)C(O)CC=O;ROGGLFJPQKUPTL-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298569;MM298569;C=C(C=NN)C(N)=O;UARHEPYATZJXSF-UHFFFAOYSA-N;113.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298570;MM298570;C=C(C(N)=O)C(O)CC#N;MUQXWRIIEPVBJX-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298571;MM298571;CC(F)C(=O)N(C=N)C=O;KXXUHKVUFTXIOT-UHFFFAOYSA-N;146.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298572;MM298572;CN=c1nnc(O)c(F)o1;YXPSRPCHQCSBBD-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298573;MM298573;CC(=CC=O)C(N)=O;SDBASPUBSCCWLY-UHFFFAOYSA-N;113.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298574;MM298574;CC(=NOC(C)C)C(=O)O;PXBSNTTYNNZVHT-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298575;MM298575;COCC(C)(C)NC=O;LAKJFMFEVKQOCG-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298576;MM298576;C=C(F)C(=C)C(O)CC#N;IVEDQMSABBTTAP-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298577;MM298577;C=C(F)CC=CC(N)=O;UWALMFCGHZJSHB-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298578;MM298578;C=CCC(F)C(=C)C(=N)N;LZEWLJFSFJPIDN-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298579;MM298579;CCNC(=O)C=C(N)N;CIZLHLHTPHTOJP-UHFFFAOYSA-N;129.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298580;MM298580;C=CCC(C)C(=O)C(C)=O;NEOSVUSMQZKQLR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298581;MM298581;CC(CC=O)C(=O)C(N)=O;AHMPVGOFXLMQOM-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298582;MM298582;C=NN(C=N)C(=O)C(C)O;IDLFWXVLUOMKFI-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298583;MM298583;C=C(C)C(=O)C(O)CC=O;LHZLMKSURZFBTG-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298584;MM298584;C=NN(C=O)C(=O)C(C)O;IHWLVEIRZWAPRB-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298585;MM298585;C=C(C)C(=O)C(O)CC#N;LSSGKULFFMQMPW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298586;MM298586;C=CN(C=C)C(=N)N(C)C;IGTDQNIRRKMUPI-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298587;MM298587;CC(=O)C(=O)C(O)CC=O;MILKDHFQTLBKAT-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298588;MM298588;C=CN(C=N)C(=N)N(C)C;CAAUQSKEGOTHDQ-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298589;MM298589;C#CCNC(=N)C(=O)CF;MDTASWWJJSPQSM-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298590;MM298590;C=CN(C=C)C(=O)N(C)C;KQGBQUXOWZIVIO-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298591;MM298591;CCCON=C(C)C(=O)O;URMNEXFDQNOOEW-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298592;MM298592;CN(C)C(=O)N(C=O)C=O;BDOOGBSCALHLRJ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298593;MM298593;C#Cc1n[nH]c(O)c1O;MLMNPZFQZHWXQL-UHFFFAOYSA-N;124.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298594;MM298594;C=CN(C=N)C(=O)N(C)O;HMFXELJKXRQZFA-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298595;MM298595;C=C(C(C)=O)C(C)N=CN;PZYGEUJLFRKMFW-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298596;MM298596;C=NN(C=N)C(=N)N(C)C;YLXZFFCBGOSTDH-UHFFFAOYSA-N;141.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298597;MM298597;C=C(C(=N)N)C(C)NC=O;OUJAOVJPUVXPDD-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298598;MM298598;C=NN(C=N)C(=N)N(C)N;WEKNDYZZURBQCG-UHFFFAOYSA-N;142.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298599;MM298599;C=C(C(N)=O)C(C)N=CN;GNWUSKCGVJOTOU-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298600;MM298600;NN=COCCC(N)=O;CKUIYBPOTRSULK-UHFFFAOYSA-N;131.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298601;MM298601;O=C(O)CCN(O)C=NO;PISWOTUATVLSLH-UHFFFAOYSA-N;148.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298602;MM298602;C=NN(C=N)C(=O)N(C)O;CCDVVJVIKJRBJU-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298603;MM298603;CC(N=CN)C(=O)C(=N)N;DOCHWCZPEWOEKT-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298604;MM298604;C#CC(C#N)C(=C)C(C)C;JQKQQOQNYXPOJS-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298605;MM298605;C=NNC(C)C(=C)C(=C)C;MTIAOEHPHJTQDQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298606;MM298606;C#CC(C#N)C(=C)C(C)O;AJTFDDOZMCRDCF-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298607;MM298607;C=C(C(C)=O)C(C)OC=O;URONJIXEKVTMCN-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298608;MM298608;C#CC(C=O)C(=O)C(C)C;IAMFVZCQWSLBGU-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298609;MM298609;C=C(C#N)C=NNCC=O;QRDLWWHCVOSKRY-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298610;MM298610;C#CC(C#N)C(=O)C(C)C;WZXLJBUOVOVDDM-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298611;MM298611;C#CC(=C)C=NNCC=O;CTJASMVFKSUTTG-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298612;MM298612;C#CC(C=O)C(=O)C(C)O;HTIRYEVINAPSHX-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298613;MM298613;C=C(C)C(=O)C(C)OC=O;DQZAZSSQQZWVFU-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298614;MM298614;C#CC(C=C)C(=N)N(C)C;IGAIMZGEVQLPIS-UHFFFAOYSA-N;136.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298615;MM298615;C=COC(C)C(=O)C(=N)N;LAIXIWNRPGJLAZ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298616;MM298616;C#CC(C=O)C(=N)N(C)C;SHMJGVQPOPMJGC-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298617;MM298617;C=COC(C)C(=O)C(N)=O;FXAORCUCLBQMTI-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298618;MM298618;C#CC(C=O)C(=O)N(C)C;BTMPRHACDJRRDZ-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298619;MM298619;NC(CC(=O)O)=NNC=O;DJZRQXZHCYSKOL-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298620;MM298620;O=c1[nH][nH]nc2ncnc1-2;WXKVKFJUCMCVFI-UHFFFAOYSA-N;137.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298621;MM298621;C=NOC(C)C(=C)C(=N)N;CWKKVERTOMMPGP-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298622;MM298622;CN=C(N)C(F)C(C)=O;MKLHGGAMDJCIHS-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298623;MM298623;CCC(CCNC=O)=NN;ROOVLJYWSZMBQM-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298624;MM298624;C=C(C)C(=C)C(CC)CC;CLYAHZMLHZJHOG-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298625;MM298625;C=Nn1cc(NCC)nn1;GZDLSMFRNCTUJJ-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298626;MM298626;C=C(C)C(=C)C(CO)CO;UKKQGJWMGFNIJZ-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298627;MM298627;C=CC(C)NC=O;UFSYJXKNHBJMHZ-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298628;MM298628;CN(CC=O)C(=N)C(=N)N;BPIZUQORHYWMJS-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298629;MM298629;C=C(C(C)=O)C(CF)CF;BWQSBXKTEWKQBA-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298630;MM298630;C=CC(=O)NCC;SWPMNMYLORDLJE-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298631;MM298631;C=C(C(=N)N)C(CC)CC;QLXSAOMGCCBUSG-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298632;MM298632;CN(C=N)C(=O)CC(=O)O;MGRUXQCSHIUGCR-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298633;MM298633;C=C(C(=N)N)C(CN)CO;VOYZFRWGDMJWRO-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298634;MM298634;C=C(F)C(=N)N(C)CC#N;ZIAXBVUTSMPCAP-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298635;MM298635;C=C(C(=N)N)C(CO)CO;UOSMZWRLRVTXMH-UHFFFAOYSA-N;144.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298636;MM298636;N=C(N)C(=N)N(O)CC=O;LXZDZTIHNLOSII-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298637;MM298637;C=C(C(N)=O)C(CC)CN;KJUZBCIPTRLYNE-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298638;MM298638;C=C(C)C(=O)NCC;ZIWDVJPPVMGJGR-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298639;MM298639;Nc1nn(N)c(N)c1F;WMYUUVQMKXYSMY-UHFFFAOYSA-N;131.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298640;MM298640;O=C1C=CC(=CO)O1;YHRKHBMIIGWEQL-UHFFFAOYSA-N;112.08;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298641;MM298641;C=C(C)OCC(=O)O;WFGTURSJYSHVJL-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298642;MM298642;C=CCN(C)C(=O)C(=C)C;VKGXYWKBXCRIBQ-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298643;MM298643;CCC(CF)C(=O)C(C)=O;KHWKNXKEBQAMRH-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298644;MM298644;CC(=O)C(=O)N(C)CC#N;HLRXOTYLVWQMMK-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298645;MM298645;CC(=O)C(=O)C(CO)CO;ODSAZMWDPKFRHU-UHFFFAOYSA-N;146.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298646;MM298646;CN(CC=O)C(=O)C(N)=O;VKMLMAYIUZPMRZ-UHFFFAOYSA-N;144.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298647;MM298647;CCC(CC)C(=O)C(=N)N;KOZHPBUWWJHFPX-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298648;MM298648;O=C(O)CCC(=O)NO;AGEUQNZXCIVHPB-UHFFFAOYSA-N;133.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298649;MM298649;CC#Cc1ccc(N)[nH]1;OPKPCAXRNWQNJM-UHFFFAOYSA-N;120.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298650;MM298650;C=C(F)C(=O)N(C)CC#N;ULSBXMVSDJTUKJ-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298651;MM298651;NC(=O)C(=O)C(CO)CO;WHSPDAOFNRSJLD-UHFFFAOYSA-N;147.13;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298652;MM298652;Cc1c[nH]c(N=N)c1;QQGXBSCOUYVNDT-UHFFFAOYSA-N;109.13;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298653;MM298653;CC=COCC(=O)O;VGHFJICFDDTINL-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298654;MM298654;C=CCN(N)C(=O)C(=C)F;SYIBPODRHWWFEU-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298655;MM298655;C=CC1(OCC(=O)O)CC1;YCLPHIDJRWGGCD-UHFFFAOYSA-N;142.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298656;MM298656;N#Cc1nc(F)c(F)[nH]1;GAVADOKFHAOZET-UHFFFAOYSA-N;129.07;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298657;MM298657;C=C(C)C(=C)C(CC)NC;CALXFSLXABGATA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298658;MM298658;CN(NC=N)C(=N)C(=N)N;VEKBSDCGLIKXHA-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298659;MM298659;C=C(C)C(=C)C(CO)OC;XNIHIFUTAXMYJS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298660;MM298660;CN(NC=O)C(=N)C(=N)N;QXEJVYGDWUEJMQ-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298661;MM298661;C=C(C(C)=O)C(CO)OC;MNJGRLOPPWGZDJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298662;MM298662;C=CC=NNCC=O;COIMGNKUSGJPCV-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298663;MM298663;C=C(C(=N)N)C(CC)OC;QKUQHBSTQHVAQT-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298664;MM298664;CC(C)(C(N)=O)C(=O)O;VTULMVFTYNCYTA-UHFFFAOYSA-N;131.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298665;MM298665;C=C(F)C(=C)C(CO)OC;SVJJHVXHCFMIOP-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298666;MM298666;C=C(F)C(=N)N(C)NC=N;JDEUNQXAVPFWOD-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298667;MM298667;O=CCC1NC1C=O;KFJJVYMPYBGMPK-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298668;MM298668;C=C(C)C(=O)C(CO)OC;BBJVTIKRXZFYHQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298669;MM298669;CCC(C)(C)NC(C)=O;JILGKFHZMMAZLQ-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298670;MM298670;C=Cc1nc(NC)c[nH]1;HEEIYADJQBMTMB-UHFFFAOYSA-N;123.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298671;MM298671;CN(NC=O)C(=O)C(N)=O;HGCVCPSILUVTFE-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298672;MM298672;COC(CF)C(=O)C(=N)N;AMKCQTPQCWQLKN-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298673;MM298673;C=C(OCCC)C(=O)O;FGWBSNNLHLUIIB-UHFFFAOYSA-N;130.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298674;MM298674;CCC(OC)C(=O)C(N)=O;GLYCEFWZYHNMDB-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298675;MM298675;C=C(C)OC=CC(N)=O;YIPTYORWWAVNLL-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298676;MM298676;COC(CO)C(=O)C(N)=O;WGUQMLAZXHYCIB-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298677;MM298677;C=C(F)C(=O)N(C)NC=O;PSDDIYSMSFBLSM-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298678;MM298678;CC(O)(CC(=O)O)C(N)=O;DPRAQSIDQYIQCA-UHFFFAOYSA-N;147.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298679;MM298679;CC(F)CC(C)C(N)=O;QDIXFLWATIBWLN-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298680;MM298680;C=C(C)C(=C)C(OC)OC;LJFVHZRVZAQMEW-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298681;MM298681;C=C(F)C(=N)N(C)OC=O;RFLMRWUTYVJQCR-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298682;MM298682;C=C(F)C(=O)C(OC)OC;BRKOYRSPBLJEHY-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298683;MM298683;CN(OC=O)C(=O)C(N)=O;AJPIMQQMLWVIAU-UHFFFAOYSA-N;146.1;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298684;MM298684;C#CC=CCCNC=O;JSANIKRPNVODHD-UHFFFAOYSA-N;123.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298685;MM298685;C=C(F)C(=O)N(C)OC=O;NQOAFTQSDVCPQG-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298686;MM298686;CCN(CC)C(=O)C(C)=O;NJWCRCBLFPBKOS-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298687;MM298687;C#CCC(C)C(=C)C(C)=O;QQJZXGJGIRFOOM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298688;MM298688;CC(=O)C(O)C=CC(=O)O;BCZKMOGIPUNUCS-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298689;MM298689;C#CCC(C)C(=C)C(=O)O;ZCSGIINLGGMZFW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298690;MM298690;CCN(OC)C(=O)C(=N)N;FKJJGSSNBXCBDO-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298691;MM298691;C#CCC(C)C(=O)C(C)=O;AGFVYZIZJUQRQE-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298692;MM298692;CCN(OC)C(=O)C(N)=O;VWRNSUSIHDDHNN-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298693;MM298693;C=CCC(C)NC(C)=O;NVQJRNTYBPSJCY-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298694;MM298694;C=CC(CC)C(=C)C(=C)C;YVZUUALFCIZYFL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298695;MM298695;C#CCC(O)C(=O)C(N)=O;JNTPSLMGSRHDCO-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298696;MM298696;C=C(C)C(=C)C(C#N)CC;DQSCUGANCPFBPE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298697;MM298697;C#CCC(O)C(=O)C(=C)F;YSMBFMLINZVGDS-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298698;MM298698;C=CC(CN)C(=C)C(=C)C;NJBKDYBOTUZVOU-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298699;MM298699;C#CCC(F)C(=O)C(=O)O;KDVVUXKABPOZFV-UHFFFAOYSA-N;144.1;;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298700;MM298700;CNC(=O)N(C)C(C)(C)C;WUDWWHZVFYINHE-UHFFFAOYSA-N;144.22;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298701;MM298701;C#CCN(C)C(=N)C(=N)N;RMUPWEJBPFKCSK-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298702;MM298702;C=C(C)C(=C)C(C#N)CO;GDPBJZYGMPLNQI-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298703;MM298703;CC=CC(=O)NC(C)C;PMYOYDPRILKMKB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298704;MM298704;C=C(C(C)=O)C(C#N)CC;AIQMDIHMHDDXCD-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298705;MM298705;C#CCN(N)C(=N)C(=N)N;DYQJVRZQGFHXTR-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298706;MM298706;C=C(C(C)=O)C(C=O)CO;VUINHICJNSWMIL-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298707;MM298707;COCC(N)=CC(N)=O;JCWZAOIZPPHORK-UHFFFAOYSA-N;130.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298708;MM298708;C=C(C(C)=O)C(C#N)CO;DISFQCCPRFSDLN-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298709;MM298709;CC(C)(F)C(C)(O)C(=O)O;GLRVFLPSBUJOCH-UHFFFAOYSA-N;150.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298710;MM298710;C=CC(CF)C(=C)C(C)=O;UYGAQXMWFRIMIW-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298711;MM298711;C#CCN(O)C(=N)C(=N)N;GGLNUZYDRTWVIY-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298712;MM298712;C=CC(CC)C(=C)C(=N)N;WTWYJHBZBCVVJL-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298713;MM298713;C=CC(=O)NC(C)CC;NOEQXGATUUVXRW-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298714;MM298714;C=C(C(=N)N)C(C#N)CO;NSIMRZYFBGLLBR-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298715;MM298715;CCC1(C)OC1C(=O)O;IPSBAMMRDPIZDV-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298716;MM298716;C=CC(=O)NC(C)(C)C=C;VCYIAKHBGLPQDD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298717;MM298717;C#CCN(C)C(=O)C(N)=O;OYGUAZBVEYXMSP-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298718;MM298718;CNC(=O)CC(C)CCF;YJMKDAQAAJACOF-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298719;MM298719;C#CCN(N)C(=O)C(=C)C;GNHQRTXUXPDLQG-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298720;MM298720;CCCC(=O)NC1(C)CC1;BIQAUQYWIDWZIM-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298721;MM298721;C=CCOC=CC(N)=O;SJJFSYQYDJVAFC-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298722;MM298722;C=C(C(N)=O)C(C#N)CO;GEAQFCFXZGIYBL-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298723;MM298723;C#CCN(N)C(=O)C(=C)F;PFENFLONHVYPIW-UHFFFAOYSA-N;142.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298724;MM298724;C=C(C(=O)O)C(C#N)CC;KEIBKQZSFURPPO-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298725;MM298725;C=C(CCN)C(=C)C(C)C;XKBBPQVLURHNOK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298726;MM298726;CCn1nnc(=N)c(O)n1;UCUMSXFFGPOUPS-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298727;MM298727;C=C(CCC)C(=C)C(C)N;UPNPGRWMUUKYEN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298728;MM298728;C=CC(CC)C(=C)C(=C)F;CXNUYNRGWMEPKB-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298729;MM298729;C=C(CCF)C(=C)C(C)N;GYLDYXXYXWLWPI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298730;MM298730;C=C(F)C(=C)C(C=O)CC;HNXOZSZQNRSRHP-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298731;MM298731;CC=COC=CC(N)=O;KFWJEQMEIXFAGO-UHFFFAOYSA-N;127.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298732;MM298732;C=CC(CN)C(=C)C(=C)F;JRQCGKBRQPFIIN-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298733;MM298733;C=CC=CC(=O)NCC;HISGHDGIQAGXON-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298734;MM298734;C=C(F)C(=C)C(C=O)CF;ITLFCOCRVAIAKU-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298735;MM298735;C=C(CCN)C(=C)C(C)F;LXSRKJLDWJRMRW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298736;MM298736;C=C(C)C(=O)C(C=O)CC;BOEXQAKYLIWQCC-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298737;MM298737;C=C(CCN)C(=C)C(F)F;FBJUEVKOVNZLJY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298738;MM298738;C=C(C)C(=O)C(C=O)CO;YZCSCNUWZIFGTK-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298739;MM298739;C=C(C(=O)CCF)C(C)C;KRTBSTZUZWJOEH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298740;MM298740;C=C(C)C(=O)C(C#N)CO;NOUCGOVXTKWABC-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298741;MM298741;C=C(CCF)C(=O)C(C)F;QJDQJAFTUDNHMC-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298742;MM298742;C=CC(CF)C(=O)C(=C)C;FVCCUPFHIJPXDJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298743;MM298743;CC(C)C(=O)C(=O)CCO;QOPZIDHQEQIROA-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298744;MM298744;NC(=O)C=CCOCCF;UTXAWDGSSGBVTJ-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298745;MM298745;CCCC(=O)C(=O)C(C)O;IOHMBPNVAJIWHN-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298746;MM298746;C#CC=CCC(C)NC=O;ZNECYZVBRBBIJH-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298747;MM298747;NC(=O)C(=O)C(C=O)CO;FIUNXRGKSWTSCK-UHFFFAOYSA-N;145.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298748;MM298748;CC(O)C(=O)C(=O)CCO;SDRVWXCWXIJYMR-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298749;MM298749;CC(O)(C=O)C=CC(=O)O;SZUHQIZVKIQRDI-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298750;MM298750;C=C(CNC)C(=C)C(C)C;PBOQYWJGGUOMMR-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298751;MM298751;N#CC(CF)C(=O)C(=O)O;VJMRWXSCEUEJPT-UHFFFAOYSA-N;145.09;-0.25;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298752;MM298752;C=C(CNC)C(=C)C(C)F;SYPYQUATUCCJGM-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298753;MM298753;C=CC(NC)C(=C)C(=C)C;HRRZZSCIXKKYIL-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298754;MM298754;C=C(CNC)C(=C)C(F)F;MIOFTULMFBOOLO-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298755;MM298755;C=CC(NC)C(=C)C(C)=O;SFDBBSHSEHUGBB-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298756;MM298756;C=C(C(=N)NCC)C(C)C;JEDOGMHOBMTRNJ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298757;MM298757;C=C(C#CC)C(=C)C(N)=O;RCIMIFZHMYYNFQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298758;MM298758;CC(=N)N(C)C(=O)CF;FVROMQQFEHWPPX-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298759;MM298759;CCCN(C(N)=O)N(C)C;HSHIYWAPSIXPGS-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298760;MM298760;CCN=C(N)C(=O)C(C)C;GZHMLVGEXJUMED-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298761;MM298761;CNC(=O)CCC(C)CF;XRVUTMUDYYCQBO-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298762;MM298762;C=C(CC#CC)C(N)=O;ILEMKYMRAXMWQR-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298763;MM298763;O=CC1(CC(=O)CF)CN1;AQVUKTPISKFMOA-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298764;MM298764;C=C(C(=N)NOC)C(F)F;BOBJPDSVJKZGBA-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298765;MM298765;C=CC1(CNC(C)=O)CN1;RIJUPZNEVXVWED-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298766;MM298766;CON=C(N)C(=O)C(C)O;WRQCZSPIMOGBCL-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298767;MM298767;C=CC(OC)C(=C)C(=C)C;KFLDVEPBAZGQMT-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298768;MM298768;CON=C(N)C(=O)C(F)F;HYJAXQHJEKKKCF-UHFFFAOYSA-N;152.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298769;MM298769;C=CC(OC)C(=C)C(=N)N;QUSPMMJOPKMWEH-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298770;MM298770;C=C(C(=O)OCC)C(C)C;SLMXQFJPFDWFNW-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298771;MM298771;C=C(F)C(=C)C(C#N)OC;XUFINCVIGXRSOG-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298772;MM298772;C=C(C(=O)OCC)C(C)F;JPBJIVYLODXJJK-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298773;MM298773;C#CC=NOC(C#C)C#N;OGRDXCJGHLUHCT-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298774;MM298774;C=C(OCC)C(=O)C(C)O;ROZDIZFDJKNHDA-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298775;MM298775;COC(C=O)C(=O)C(N)=O;OZUFDEGBFWPXBL-UHFFFAOYSA-N;145.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298776;MM298776;CCOC(=O)C(=O)C(C)C;CKTYYUQUWFEUCO-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298777;MM298777;C=C(F)C(=O)C(C#N)OC;YHWOARSTYQOORN-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298778;MM298778;C=C(CCC)C(=N)N(C)C;FZKGIHPEZSPBFB-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298779;MM298779;C=C(C(=N)N)N(C=O)CC;UQMJXRZKHVDIRI-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298780;MM298780;C=C(CCF)C(=N)N(C)C;DMUQKWWEYSZXGN-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298781;MM298781;C#CCC1=NCC(=NN)N1;VIGSGCWXXWHDSM-UHFFFAOYSA-N;136.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298782;MM298782;C=C(CCO)C(=N)N(C)N;VRQIFSKNQTUXJK-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298783;MM298783;CCN(C=O)C(=N)C(C)=O;XOTONHLRPNGLIM-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298784;MM298784;C=C(CCF)C(=N)N(C)N;FYEKGIXIFQBMCN-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298785;MM298785;C=C(F)C(=N)N(C=O)CC;FCJHKTCJHMSSCW-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298786;MM298786;CC(=CC=NN)C(N)=O;XWJMISQVWBTPAO-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298787;MM298787;CC=NN=CCCNC=O;BJBDJNBHNDKQMJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298788;MM298788;CC(C#CC=NN)CO;JIHCITHNHBJMEY-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298789;MM298789;CCN(C=O)C(=O)C(C)=O;UORWLPCMEFQZGD-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298790;MM298790;CCC(CCF)C(N)=O;AMOXYLJLSBTDQE-UHFFFAOYSA-N;133.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298791;MM298791;C=C(F)C(=O)N(C=N)CC;GXTSYRHHPIDRGW-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298792;MM298792;C=C(CCC)C(=O)N(C)C;QYSWFAQFRNURJG-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298793;MM298793;C=C(F)C(=O)N(C=O)CC;REHIBTFDZQRNNV-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298794;MM298794;CNC(=O)CC1CC1C;WVCPPVYKQJJXMY-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298795;MM298795;Cc1[nH]c(F)cc1N;VZEVYTOMIDHEPX-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298796;MM298796;C=C(CCF)C(=O)N(C)C;CQPXNZQLLKNSBQ-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298797;MM298797;C=C(C(=N)N)N(C=N)NC;AYZUWAUCLDRIPD-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298798;MM298798;C=C(CCC)C(=O)N(C)N;RRRAAYXMPOQEBR-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298799;MM298799;C=C(F)C(=C)N(C=O)NC;ZRXIIADOPOJNBY-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298800;MM298800;C=C(CCC)C(=O)N(C)O;FPBMGPWXZFTAJP-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298801;MM298801;C=NN=C1C=NOC1;JSJFCZDMZPFLEF-UHFFFAOYSA-N;111.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298802;MM298802;CN(C)C(=O)C(=O)CCO;RIRAJYRDINOLAJ-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298803;MM298803;CNN(C=N)C(=N)C(=N)N;AQFSVONCIGFAIG-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298804;MM298804;C=C(CNC)C(=N)N(C)O;OPUNEDIVVVIBNS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298805;MM298805;CNN(C=O)C(=N)C(=N)N;NITQCXWNTQCMJB-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298806;MM298806;CNC(=O)CCC1CC1;BSOSUXCKBGWHGI-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298807;MM298807;C=COCCNC=O;LCDJSBVOXPZPME-UHFFFAOYSA-N;115.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298808;MM298808;COCC(=O)C(=O)N(C)C;HKKBTRMEHLZUDN-UHFFFAOYSA-N;145.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298809;MM298809;C#CC(=O)CC(C#N)=NO;MYOSASHGHHYLOD-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298810;MM298810;CCNC(=N)C(=N)N(C)N;WMFLYCXNKZAEII-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298811;MM298811;C=C(F)C(=N)N(C=O)NC;PKSSVFABAJJBGU-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298812;MM298812;CCNC(=N)C(=N)N(C)O;YHDUIFIUTODMMS-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298813;MM298813;C=CN(NC)C(=O)C(=C)C;HUIFVRYCCREPLV-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298814;MM298814;CC1C(CNC=O)N1C;OXHJCBIJOZRBRL-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298815;MM298815;C#CCC(C)(C)NC=O;UHXYJAJNOTZCCV-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298816;MM298816;CCN=C(N)C(=O)N(C)N;OHLZKNOCEPWZRQ-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298817;MM298817;C#CC1(CC(N)=O)CN1;UPOUHUKYBCYQNT-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298818;MM298818;CCNC(=O)C(=O)N(C)C;XUGCXFZJSDNDQW-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298819;MM298819;N#Cc1cc(O)no1;PZHPCCGCXZFFFO-UHFFFAOYSA-N;110.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298820;MM298820;CNNC(=N)C(=N)N(C)C;PZASURDUKFPJEG-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298821;MM298821;C=C(F)C(=O)N(C=N)NC;PLNZXJCGXIGCAS-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298822;MM298822;CNNC(=N)C(=N)N(C)N;QEVKQMKXABPSEQ-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298823;MM298823;C=C(F)C(=O)N(C=O)NC;VUIVKYYAPJTGKU-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298824;MM298824;CC=CC=NNCC=O;YZDQQTLVUUSIHX-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298825;MM298825;C=C(C(C)=O)N(C=O)OC;WNVKKCUEALSQPB-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298826;MM298826;O=CCNN=CC=CF;MVLJCYABSIUTJF-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298827;MM298827;C=CN(OC)C(=N)C(=N)N;VSTYPXIEIWRGLG-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298828;MM298828;CCN1CC1CNC=O;JAOYYZGRPOEXSA-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298829;MM298829;Oc1nn(O)cc1F;JQYGSIDIRCAONW-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298830;MM298830;CONC(=N)C(=N)N(C)C;ZCUQJVSZMZBLJV-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298831;MM298831;C=C(F)C(=N)N(C=O)OC;RNHKPFQHIFRNBE-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298832;MM298832;CC(CNC=O)N1CC1;AWYCWUYMPBWYFG-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298833;MM298833;CON=C(N)C(=O)N(C)C;FHVGHVVFXOXCEN-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298834;MM298834;C=CN(OC)C(=O)C(=C)C;FCQIZYVGMOXTPD-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298835;MM298835;C=C(OCC)C(=N)N(C)C;XQMZYHSXHXLXHG-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298836;MM298836;C=CN(OC)C(=O)C(C)=O;CRJBPSKBXIHZJO-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298837;MM298837;C=C(OCC)C(=N)N(C)O;ZRBVTGPBQZZHSJ-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298838;MM298838;C#CC(CC)C(=C)C(=C)C;OXVJCZUQUFMBGX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298839;MM298839;CCOC(=O)C(=N)N(C)N;YIYWQWJAFRCURR-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298840;MM298840;C#CC(CN)C(=C)C(=C)C;XBLKWHMZQPHKPR-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298841;MM298841;C=CCCC(=O)NC(C)C;GISYLYGFGLICKE-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298842;MM298842;C#CC(CC)C(=C)C(C)=O;NIDHSOWSTRNSQS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298843;MM298843;C=C(OCC)C(=O)N(C)C;XCTLKPYXOFEDDF-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298844;MM298844;C#CC(CC)C(=C)C(=N)N;GUERCZNBUDDNAY-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298845;MM298845;C=C(OCC)C(=O)N(C)N;SLBIACMVQLCFAS-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298846;MM298846;NC(=O)C=CCC=CF;BMSMDKUEYIGPKK-UHFFFAOYSA-N;129.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298847;MM298847;C=CCC(=C)C(=C)C(C)C;ANLLQVXMGIYTHH-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298848;MM298848;C#CC(CN)C(=C)C(=C)F;HXSHMNUEHPREKR-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298849;MM298849;C=C(CC=O)C(=C)C(C)C;OLKQHSJVYIPWDK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298850;MM298850;C#CC(CO)C(=O)C(C)=O;XHYANPWGRZRGMB-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298851;MM298851;CCC(F)C=C(C)C(N)=O;CSYFEUICZZNRKX-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298852;MM298852;CNc1noc(F)c1C;GQGWLPSBDUMKPN-UHFFFAOYSA-N;130.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298853;MM298853;C=C(CC=O)C(=C)C(F)F;VIUUBQADBUMYLO-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298854;MM298854;C#CC(CC)C(=O)C(=C)F;QQJBYCPADCGCFC-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298855;MM298855;C=CCC(=O)C(=C)C(C)C;QCEGCMYYINITRD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298856;MM298856;C#CC(NC)C(=C)C(=C)C;ZQZQYQVSHRRFII-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298857;MM298857;C=C(C(=O)CC#N)C(C)C;VYPDVAPVQWIJLQ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298858;MM298858;C#CC(OC)C(=C)C(=C)C;OKZDFFFILMKLDA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298859;MM298859;C=CCC(=O)C(=C)C(C)O;PADOJYPABGHMBF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298860;MM298860;C#CC(OC)C(=C)C(C)=O;ZWCVMOTVCDSHJH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298861;MM298861;C=CCC(=O)C(=C)C(C)F;JHWGELBZGSVVSW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298862;MM298862;C#CC(OC)C(=C)C(=N)N;PWRYYQDZMMUDPI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298863;MM298863;C=C(CC#N)C(=O)C(C)C;RXNAQPPLRMVNAG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298864;MM298864;C=CC(C#N)C(=C)C(=C)C;BZQKYSYJQOSXKQ-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298865;MM298865;C=CCC(=C)C(=O)C(C)O;CFNJRFCBSDTHLW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298866;MM298866;C=C(C)C(=C)C(C=O)C=O;BUPIJVBGAVNFPA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298867;MM298867;C=CCC(=C)C(=O)C(C)F;YZTNHMFZEAQTJO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298868;MM298868;C=C(C)C(=C)C(C#N)C#N;SRBYCDQUVDBVKT-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298869;MM298869;C=CCC(=O)C(=O)C(C)O;PDADUFXAYJBFCU-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298870;MM298870;C=CC(C=C)C(=C)C(C)=O;KCJPQSLXZWRBOS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298871;MM298871;C=C(C(=N)NC=N)C(C)N;LKYFHWGUSXBLQQ-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298872;MM298872;C=CC(C=O)C(=C)C(C)=O;JWIOGZATBCSOQG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298873;MM298873;C=C(C(=N)NC=O)C(C)N;DMPVSCITCMHLPH-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298874;MM298874;C=CC(C#N)C(=C)C(C)=O;TYOPQYZRXADFHN-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298875;MM298875;C=CNC(=N)C(=C)C(C)O;VMRMHWQJTWMWLP-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298876;MM298876;C=CNC(=N)C(=C)C(C)F;ZLERDQQFWRYUPP-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298877;MM298877;C=CC(C#N)C(=C)C(=N)N;NBUYXLQHOGGJHA-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298878;MM298878;C=C(C(=N)NC=N)C(C)F;BWEJEWIZHSXXBC-UHFFFAOYSA-N;143.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298879;MM298879;CC=NOC(C=O)CF;BYGVOLKJCDZWAT-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298880;MM298880;C=C(CNC(C)=O)C(C)C;OKPMNLJCFRBHKA-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298881;MM298881;C=CC(C#N)C(=C)C(=O)O;IIWJFLYYCMTZJJ-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298882;MM298882;C=CNC(=O)C(=C)C(C)C;WHMVGOHVHHTUIU-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298883;MM298883;C=C(C(=O)O)C(C#N)C#N;CZWXZKFKZMEVCB-UHFFFAOYSA-N;136.11;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298884;MM298884;C=C(NC=O)C(=O)C(C)O;AXIBZECIPCCNRB-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298885;MM298885;C=CC(C=C)C(=C)C(=C)F;BGBVWHAYXXTMDC-UHFFFAOYSA-N;138.19;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298886;MM298886;C=CNC(=O)C(=O)C(C)C;LDLYRAWRFCOTAR-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298887;MM298887;C=CC(C=C)C(=O)C(=C)C;HBJMSQPWVWKAIE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298888;MM298888;C=CNC(=O)C(=O)C(C)O;LYFWNJKDJUETRL-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298889;MM298889;C=CC(C=O)C(=O)C(=C)C;UABSNNPUXXHQEE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298890;MM298890;C=NNC(=O)C(=C)C(C)N;FJLUQJDHOIBTIE-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298891;MM298891;C=NN=C(C)C(=C)C(=O)O;RJMNPUYGGGZKPL-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298892;MM298892;C=CC(=CCO)CC(C)O;VLYUEFJWOUMYCQ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298893;MM298893;COC1CC1CNC=O;DIYODPVGYGKSSX-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298894;MM298894;C=C(OC=O)C(=C)C(C)C;ZLUBOFNZEBLERB-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298895;MM298895;C=NN=CC(=CC)C(=O)O;YUAMTYBKPDVBNY-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298896;MM298896;C=COC(=C)C(=C)C(C)O;VGTDTLHZVWPFMA-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298897;MM298897;C=CC(C#N)C(=O)C(N)=O;UXKUDHLPRSZOTR-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298898;MM298898;C=COC(=C)C(=C)C(C)F;JACXVEDNMGZWRN-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298899;MM298899;C=CCc1ncc(O)o1;RNJTVHNMTMRDCI-UHFFFAOYSA-N;125.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298900;MM298900;C=COC(=C)C(=O)C(C)O;ASOYWGVBYCIIHI-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298901;MM298901;C=C(F)C(=O)C(C#N)C#N;NNVGCTLBMNJLTE-UHFFFAOYSA-N;138.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298902;MM298902;C=COC(=O)C(=O)C(C)C;XHHLTBVKWUOCKP-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298903;MM298903;C=CN(C=O)C(=C)C(=C)C;YAZHIFFYJBJSEK-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298904;MM298904;C=NOC(=O)C(=C)C(C)C;BFPBSEPFICELRT-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298905;MM298905;C=CN(C=O)C(=C)C(=N)N;HXJVZSFGFJXFSW-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298906;MM298906;C=NOC(=O)C(=C)C(C)N;DJRNDAKHELWNCU-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298907;MM298907;C=C(F)C(=C)N(C=N)C=O;CQELVSBPJVFZTG-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298908;MM298908;C=C(CC=O)C(=N)N(C)O;NUASDBOPAPXKQF-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298909;MM298909;C=C(F)C(=C)N(C=O)C=O;YBDLPKVSLGFUBK-UHFFFAOYSA-N;143.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298910;MM298910;C=CCC(=C)C(=O)N(C)C;BZRGNJLSVLOLIO-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298911;MM298911;C=CN(C=O)C(=N)C(C)=O;HAHVQUMACNTJNQ-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298912;MM298912;C=C(CC#N)C(=O)N(C)C;AIBIUKSMVMDEJI-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298913;MM298913;CC(=O)C(=N)N(C=O)C=O;LOUGSLIBLHWQCF-UHFFFAOYSA-N;142.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298914;MM298914;C=CCC(=C)C(=O)N(C)O;SQOQNUFDEKGZAL-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298915;MM298915;C=CN(C=C)C(=N)C(=N)N;IIPRQUIPTLKAKZ-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298916;MM298916;C=C(NC=O)C(=N)N(C)C;IISFOQXTKFHXHO-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298917;MM298917;C=CN(C=N)C(=N)C(=N)N;YXUMYADYKONWOJ-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298918;MM298918;C=C(NC=N)C(=N)N(C)O;NJLQDHJOKJWKNL-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298919;MM298919;C=C(NC=O)C(=N)N(C)O;YCNWCGXKMQKHGI-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298920;MM298920;N=c1nc(O)[nH]nc1F;AVKFTPKMTFVLAZ-UHFFFAOYSA-N;130.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298921;MM298921;C=CNC(=N)C(=N)N(C)C;DPXHWWLOPSFZEF-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298922;MM298922;C=CN(C=O)C(=N)C(=C)F;OCAFYNUYCNMSEK-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298923;MM298923;C=CNC(=N)C(=N)N(C)N;RBKUDMFAOQSDKH-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298924;MM298924;C=CN(C=C)C(=O)C(=C)C;GKUKLRWCASXGIO-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298925;MM298925;C=NN=CCCCC(N)=O;OFXCVESYCAXFSG-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298926;MM298926;C=CN(C=C)C(=O)C(C)=O;VAXQLHDOBXBRGQ-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298927;MM298927;C=C(N=CN)C(=O)N(C)C;XMSXCZWKIVTYAX-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298928;MM298928;CC(CNC=O)C1CO1;YKMABNMZOFKTQN-UHFFFAOYSA-N;129.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298929;MM298929;C=C(N=CN)C(=O)N(C)N;VKXSBXSPSDUJSN-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298930;MM298930;C=CN(C=O)C(=O)C(C)=O;ILLKINOIJOVYRK-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298931;MM298931;CN(C)C(=O)C(=N)NC=O;LOFRVBQTZRTVOL-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298932;MM298932;CC(=O)C(=O)N(C=N)C=O;HGESHMXUNCWLGV-UHFFFAOYSA-N;142.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298933;MM298933;C=CNC(=O)C(=O)N(C)C;NSSZNLOWOAOJQB-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298934;MM298934;C=NOCC(N)=CC(N)=O;ZYIAJPQSAJNOBT-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298935;MM298935;CN(C)C(=O)C(=O)NC=O;KHJQGFKSFGXHRK-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298936;MM298936;C=CN(C=O)C(=O)C(N)=O;ZYNUGSHIRKQWDQ-UHFFFAOYSA-N;142.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298937;MM298937;CN(N)C(=O)C(=O)NC=O;USITZSASLBJLTI-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298938;MM298938;N=CN(C=O)C(=O)C(N)=O;XPYJJPOGHJTFPL-UHFFFAOYSA-N;143.1;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298939;MM298939;C=COC(=C)C(=N)N(C)C;SRLPGCVSOJGHIT-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298940;MM298940;Nn1nc(O)nnc1=NO;ZRDPNGASMCNLAR-UHFFFAOYSA-N;144.09;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298941;MM298941;C=COC(=C)C(=N)N(C)O;KFFRPWDEZXGHSN-UHFFFAOYSA-N;142.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298942;MM298942;C=CN(C=O)C(=O)C(=C)F;XGFZJWZSEDZEDT-UHFFFAOYSA-N;143.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298943;MM298943;CCCC#CC=CC(N)=O;KBBOMHSRGWZPEF-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298944;MM298944;CC(=O)NCC(C)C=NN;LDEXCPOSRPKVFD-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298945;MM298945;C=COC(=C)C(=O)N(C)C;UKPNOPFXOSTCPY-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298946;MM298946;CCOC(C)=CC(=O)NC;VZQWPTNQVLJMLG-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298947;MM298947;C#CCC(=C)C(=C)C(C)C;ROWFDGQNXGNUFC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298948;MM298948;CN(C=O)C(N)=CC(N)=O;DSLRXXVDJCPQFB-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298949;MM298949;C#CCC(=C)C(=C)C(C)N;OBDACXFJBVBBLT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298950;MM298950;Nc1nc(=O)n(N)[nH]c1=O;IUSONMPDOBIBEW-UHFFFAOYSA-N;143.11;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298951;MM298951;C#CCC(=O)C(=C)C(C)C;OMMRVPGQKVMPPX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298952;MM298952;C=NN(C=N)C(=N)C(=C)F;PPTQFBDCBZNTIP-UHFFFAOYSA-N;142.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298953;MM298953;C#CCC(=O)C(=O)C(C)C;GTQWPXBNYKNAQK-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298954;MM298954;C=NN(C=O)C(=O)C(=C)C;NOKIQQPRPVUOGS-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298955;MM298955;C#CCC(=O)C(=O)C(F)F;UURNXVQKBKNUEB-UHFFFAOYSA-N;146.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298956;MM298956;CC(C)C=C(C=O)C(N)=O;XCHNOGKDBCJQBQ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298957;MM298957;C#CCC(=C)C(=N)N(C)O;MKAKJQGVLKSQDX-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298958;MM298958;CCCN(C)N(C)C(N)=O;ZBDOHRBUHZSWGB-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298959;MM298959;C#CCC(=C)C(=O)N(C)C;XGOMMWNKKVTWKL-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298960;MM298960;Nc1[nH]nc(N)c(=O)c1F;SOZFLQVASUKUTF-UHFFFAOYSA-N;144.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298961;MM298961;CC(C)=CC=NNCC=O;AYUUZQHYTFIZNI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298962;MM298962;C=CN(N=C)C(=O)C(=C)F;PRCLHIDUSSEHRR-UHFFFAOYSA-N;142.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298963;MM298963;C=C(CCC)C(=C)C(C)=O;AHFLJAZQPVYJRP-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298964;MM298964;C=NN(C=N)C(=O)C(=C)F;IEACTZPFBONIFH-UHFFFAOYSA-N;143.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298965;MM298965;C=C(CCNC=O)OCC;VPWAXDRCHMBWQV-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298966;MM298966;C=C(CCF)C(=C)C(C)=O;UHHJHTCOLQHIMZ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298967;MM298967;C#CC(C=C)C(=C)C(=C)C;IWKYJYKWLQYBCB-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298968;MM298968;C#CC(C=C)C(=C)C(C)=O;HDQURWLAIZZCPJ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298969;MM298969;C#CC1(OC)CC1C(=O)O;AOKFMDJGOKYMIF-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298970;MM298970;C#CC(C=O)C(=C)C(C)=O;YUWWUJZEVJTWRB-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298971;MM298971;C=C(C)C(=C)C(=O)CCC;UXDHGVOLDQQETG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298972;MM298972;C#CC(C#N)C(=C)C(C)=O;JWNCVDMRUCUYKP-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298973;MM298973;C=C(C)C(=C)C(=O)CCF;KGWRQGVNLOYASV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298974;MM298974;C#CC(C=C)C(=C)C(=N)N;IZIURKYFYCSCSZ-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298975;MM298975;C=C(C(C)=O)C(=O)CCC;FLUMTFRWAKRYAS-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298976;MM298976;C#CC(C=O)C(=C)C(=N)N;MTKSSQRSZAQLTB-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298977;MM298977;C=C(C(C)=O)C(=O)CCO;UKMISPJYFXLICG-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298978;MM298978;CC(C(N)=O)N(C)CC=O;XAGDJIPISAIZGH-UHFFFAOYSA-N;144.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298979;MM298979;C=C(C(=N)N)C(=O)CCC;DCVQPHTUYMTULA-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298980;MM298980;CC(CC1OC1C)NC=O;NWIMKRHODDGUED-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298981;MM298981;C=C(C(=N)N)C(=O)CCO;XNGDUQMMMPLPCG-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298982;MM298982;C#CC(C=C)C(=C)C(=O)O;WVEHZJXKBLCSAH-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298983;MM298983;C=C(F)C(=C)C(=O)CCC;ATVWFTASMZTEEJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298984;MM298984;C#CC(C#N)C(=C)C(=O)O;FTYNYPYIRKSOHN-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298985;MM298985;C=C(F)C(=C)C(=O)CCF;UEPZJWBGOPOSOH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298986;MM298986;C#CC(C#N)C(=O)C(=C)C;KQEXQCCZZSPSSW-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298987;MM298987;C=C(C)C(=O)C(=C)CCC;BBDSIVQDEZMDOZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298988;MM298988;C#CC(C=C)C(=O)C(C)=O;YPHXBRROKCVHML-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298989;MM298989;C=C(C)C(=O)C(=C)CCF;YVNZCHFLGBTVFI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298990;MM298990;O=CNC1CC(CCO)C1;XZQOSZMCJBOJDN-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298991;MM298991;C=C(CCC)C(=O)C(C)=O;RLULNSZGKGMUTI-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298992;MM298992;CCC(C)N(C)C(=O)NC;NNZMQXOJAKKPBC-UHFFFAOYSA-N;144.22;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298993;MM298993;C=C(CCF)C(=O)C(N)=O;YSLVMUAGBSLQMG-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298994;MM298994;C#CC(C=C)C(=O)C(N)=O;WTDOASHBEFTYRQ-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298995;MM298995;C=C(C)C(=O)C(=O)CCC;CXWFWWBZDHXPOU-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298996;MM298996;C#CC(C#N)C(=O)C(N)=O;QSFWFYVJDLQGGG-UHFFFAOYSA-N;136.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298997;MM298997;C=C(C)C(=O)C(=O)CCO;UUAWEVHEDIPQNK-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298998;MM298998;C#CC(C#C)C(=C)C(=C)C;URUPTORBXBKKTF-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM298999;MM298999;NC(=O)C(=O)C(=O)CCO;CKQRWYLTYXWSOC-UHFFFAOYSA-N;145.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299000;MM299000;C#CC(C#C)C(=C)C(C)=O;AOXHIJAQPBSDDN-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299001;MM299001;C=CC(O)C#CCC(=O)O;IRFZXYOKIHPDOT-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299002;MM299002;CC=C(CC)C(C)C(C)C;SHSBDNVCVIVBOL-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299003;MM299003;C=C(F)C(=O)C(=O)CCC;VVZCYYMBZLCZDT-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299004;MM299004;CC=C(CN)C(C)C(C)C;ZNUKQZJLADIEAJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299005;MM299005;C=C(C)C(=C)C(=C)CNC;OATXRERQAVUARD-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299006;MM299006;CC(C)C(C)C(=CF)CN;VGMWCJNEQYQDSK-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299007;MM299007;C=C(CNC)C(=O)C(C)=O;KHFCFXRKNOZXBA-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299008;MM299008;CC=C(CC)C(C)C(C)N;INEGKMJCBSCXFT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299009;MM299009;C=C(COC)C(=C)C(C)=O;BIXRZCFTEVQJHP-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299010;MM299010;CC(N)C(C)C(=CF)CF;VBDQCLMCVAUURB-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299011;MM299011;C=C(COC)C(=C)C(=N)N;JWTIPAYMWLESPP-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299012;MM299012;CC(=CC#CC=NN)CO;VLJHNBNTORUSKD-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299013;MM299013;C=C(C(N)=O)C(=O)COC;XDBWYWXJMWRXNB-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299014;MM299014;CC=C(CN)C(C)C(C)O;GFGQZVILPQHUGH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299015;MM299015;COC=C(C)CCNC=O;CWHFHTZSGZTGOE-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299016;MM299016;CC=C(CN)C(C)C(C)F;VZRQHJFHEKMOMO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299017;MM299017;C=C(C)C(=C)C(=N)NCC;XOXIIBIIMNPNCM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299018;MM299018;CC=C(CN)C(C)C(F)F;XESLWHFPFMOXGY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299019;MM299019;C=C(C(C)=O)C(N)=NCC;USQZVKLYVGPHEE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299020;MM299020;CC=C(CC)C(N)C(C)C;SVXCRVYAQODCQA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299021;MM299021;C=C(C(N)=O)C(N)=NCC;UTWWHFBFOMENOV-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299022;MM299022;CC(C)C(N)C(=CF)CF;OWWKTZPLUCAFCK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299023;MM299023;C=C(C(=N)N)C(=O)NCC;RFOUMBJKHBBNAM-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299024;MM299024;CC=C(CC)C(N)C(C)N;HONSZFWHUAZJHC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299025;MM299025;C=C(C(N)=O)C(=O)NCC;RXPZIHVQCPLQRU-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299026;MM299026;CC=C(CF)C(N)C(C)N;CUWAWHFTGGPAAD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299027;MM299027;C=CCC(C)=NNCC=O;AHOKEJDMQCZBNV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299028;MM299028;CCC(=CF)C(N)C(C)F;LHFVCJCQACAUJK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299029;MM299029;C#CCC(C)=NNCC=O;YDJQHLOHWOSJQB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299030;MM299030;CC(F)C(N)C(=CF)CN;HZLGKBNYXUANMS-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299031;MM299031;CCNC(=O)C(=O)C(C)=O;QKSRXTMXYSXLAX-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299032;MM299032;CC=C(CF)C(N)C(C)F;STEICUALLBSBCR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299033;MM299033;C=C(C(=N)N)C(=N)NNC;HHUNNBIVWNGRGY-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299034;MM299034;CC(O)C(O)C(=CF)CO;GJCPBFSJYDVTGJ-UHFFFAOYSA-N;150.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299035;MM299035;CC=CC(C)C(=O)NCC;CZOAPFYTOGTELS-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299036;MM299036;CC=C(CN)C(F)C(C)C;LPVUEJYISPHTJK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299037;MM299037;CC(=NNCC=O)C(C)C;BKBNAMAAXRMWOK-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299038;MM299038;CC(C)C(F)C(=CF)CN;HDACBIKRKYOZAU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299039;MM299039;C=C(F)C(C#N)=NO;NVCGLVCXUGMFRC-UHFFFAOYSA-N;114.08;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299040;MM299040;CCC(=CF)C(F)C(C)N;KSXPADWTAAFCII-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299041;MM299041;C=C(F)C(=O)C(=O)NNC;KAWHPSDEUSTJSX-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299042;MM299042;CC=C(CN)C(F)C(C)N;IRJFARSHQGJYMH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299043;MM299043;C=C(C(=N)N)C(=N)NOC;RVRBIRWDHLVUBQ-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299044;MM299044;CC(O)C(F)C(=CF)CN;GPLLIIMQDQVNHB-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299045;MM299045;CCC(O)CC(F)C(=O)O;XIWHUJOWBKCRPV-UHFFFAOYSA-N;150.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299046;MM299046;CC(O)C(F)C(=CF)CO;RPPSLCGCZLWSMU-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299047;MM299047;CON=C(CC=O)C(C)C;IEGDQARSQCBSRB-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299048;MM299048;CC=C(CN)C(F)C(C)F;GANYFXHIQNRART-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299049;MM299049;CC(O)CCC(F)C(=O)O;IFUDXONJHFICIJ-UHFFFAOYSA-N;150.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299050;MM299050;CC(C)C(C)C(CN)=NO;KHPLLNPJCQGITH-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299051;MM299051;Oc1ncno1;PCJFEVUKVKQSSL-UHFFFAOYSA-N;86.05;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299052;MM299052;C#CC1(CNC=O)CC1C;QVIBSAYLRMBTBZ-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299053;MM299053;CCCC(=NOC)C(=O)O;NZDSVBMNGRCAAC-UHFFFAOYSA-N;145.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299054;MM299054;CCC(=NO)C(C)C(C)F;UPHHIHIXBIKUJA-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299055;MM299055;C=C(C)C(=C)C(=O)OCC;LBQGEFRXWMBMHL-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299056;MM299056;CCC(=NO)C(N)C(C)C;QPKDAKPQOZWZBN-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299057;MM299057;C=C(C(C)=O)C(=O)OCC;IQANECQLWTYWGR-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299058;MM299058;CN1CC1C(=O)N(N)C=O;OJJMSFYKFHSWNP-UHFFFAOYSA-N;143.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299059;MM299059;C=C(OCC)C(=O)C(N)=O;WFTGNHMBGCGFNM-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299060;MM299060;CC(=O)NNCC(=O)O;VQOHOZOFRKPOJI-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299061;MM299061;Cn1nnc(=NO)c(=O)[nH]1;PCGQXUNPGYJGJR-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299062;MM299062;CN1CCC(C=O)=CC1=O;ZPJBQOHVOIATFB-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299063;MM299063;C=C(C)C(=O)C(=O)OCC;XBEMDLANOLUIJO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299064;MM299064;NN=C(CO)C(O)C(F)F;QXSHHEJZLBYYAB-UHFFFAOYSA-N;154.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299065;MM299065;C=C(C)C(=C)C(=C)CC=O;KYSDSFXUVFPLPY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299066;MM299066;CC(F)(F)C(N)=CC(=O)O;TVQIRVWRCOCDFN-UHFFFAOYSA-N;151.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299067;MM299067;C=C(C)C(=C)C(=C)CC#N;PFYWYQKVDMCHFS-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299068;MM299068;CCC(=NN)C(F)C(C)C;SCGOFUXFMGZFLS-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299069;MM299069;C=CCC(=C)C(=C)C(C)=O;TZHVGXRRAKLLAU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299070;MM299070;CN=C(NO)C(C)C(C)O;NFNQMSASLIRYHM-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299071;MM299071;C=C(CC=O)C(=C)C(C)=O;KPMIFDSGOQFFME-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299072;MM299072;CN=C(NC)C(O)C(C)O;JQVCMQSZWMYMNH-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299073;MM299073;C=CCC(=C)C(=C)C(=N)N;PQQNEQWBWPZGBV-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299074;MM299074;CN=C(NN)C(O)C(C)O;HYFWLCJIFIAGTB-UHFFFAOYSA-N;147.18;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299075;MM299075;Cn1c(N)cc(=O)nc1N;BAUWXNZGBVCTEM-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299076;MM299076;C#CCn1ncc(NN)n1;LMECRSGHUPBHRZ-UHFFFAOYSA-N;137.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299077;MM299077;Cn1cc(F)c(=O)nc1N;ZOCDRLJGBIHERJ-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299078;MM299078;CC(O)C(O)C(=NO)NN;RTQMEBYEMVOYBR-UHFFFAOYSA-N;149.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299079;MM299079;C=CCC(=C)C(=C)C(=O)O;GZXZUTCPYFCHBV-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299080;MM299080;CN1CC1CC#CCCO;GKXIVISDDPQURO-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299081;MM299081;C=CC1(C=O)NC1C(=O)O;ANGUCUNOWJDBJR-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299082;MM299082;N=c1nc(O)nnn1N;QNIIXOYLPTYYLL-UHFFFAOYSA-N;128.1;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299083;MM299083;C=C(C)C(=C)C(=O)CC=O;GBEKQHZYLWXZFV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299084;MM299084;COC(=CF)C(C)C(C)O;DWKKVVSAVSAQCL-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299085;MM299085;C=CCC(=O)C(=C)C(C)=O;UCALRFGSEXUBRN-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299086;MM299086;COC(=CF)C(N)C(C)N;MCCPMBHHPJKICV-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299087;MM299087;C=C(C(C)=O)C(=O)CC#N;LMZXQXBMCCUUMY-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299088;MM299088;O=CNC1CC1;AWQVKAURKXXOCG-UHFFFAOYSA-N;85.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299089;MM299089;C=C(C(=N)N)C(=O)CC#N;FCDJZKBQOWABBE-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299090;MM299090;COC(=NN)C(O)C(C)O;QWWLPJCQZBDIKV-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299091;MM299091;C=C(C(N)=O)C(=O)CC#N;WAGNSSMHNUFDEW-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299092;MM299092;CC=C(CC)C(C)N(C)C;YAOWMQYCNIFTJU-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299093;MM299093;COC=NNCC(=O)O;ABKZRGRLGDYIIX-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299094;MM299094;CCC(=CF)C(C)N(C)C;HRNISDBDKULRPX-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299095;MM299095;C=C(C)C(=O)C(=C)CC=O;YEQDDFIYGNUINE-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299096;MM299096;CC=C(CN)C(C)N(C)C;GFRZOFPVWAUQFJ-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299097;MM299097;C=C(C)C(=O)C(=C)CC#N;HZAFPRDSHDLODO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299098;MM299098;C=C(CC#N)C(=O)C(=O)O;RLBPVQDCMBSPAQ-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299099;MM299099;CC(C(=CF)CN)N(C)C;JHSUQAQQRCBUKW-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299100;MM299100;C=CCC(=O)C(=O)C(=C)C;HTZNDYIGSIUYIS-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299101;MM299101;CN=C(NC)N(C)C(C)C;MAMVVNUMNHJEKR-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299102;MM299102;C=C(C)C(=O)C(=O)CC#N;BUPDPNVMIXHGGP-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299103;MM299103;CN=C(CO)N(C)N(C)C;TXXXRYXQQXXGHZ-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299104;MM299104;CNc1nc(=O)c(=O)[nH][nH]1;JWLGAUGURMVBBB-UHFFFAOYSA-N;142.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299105;MM299105;CNC(=NN)N(C)N(C)C;SEXUZFCTDKERGD-UHFFFAOYSA-N;145.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299106;MM299106;C=CCC(=O)C(=O)C(=O)O;NCVHHXWDAHRGFT-UHFFFAOYSA-N;142.11;-0.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299107;MM299107;CN=C(NN)N(C)N(C)C;SEXUZFCTDKERGD-UHFFFAOYSA-N;145.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299108;MM299108;N#CCC(=O)C(=O)C(=O)O;NCNRITXKNLMWID-UHFFFAOYSA-N;141.08;-0.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299109;MM299109;CN=C(NO)N(C)N(C)C;PYKYPDMIIXXMSB-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299110;MM299110;C=C(C)C(=C)C(=C)NC=N;YUTUHNFFYMKHED-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299111;MM299111;CN(C)N(C)C(=NN)NO;HOLQYGLNQJVERY-UHFFFAOYSA-N;147.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299112;MM299112;C=C(NC=N)C(=C)C(=N)N;MHRHYBJGYDNWMZ-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299113;MM299113;Nc1c[nH]c(F)c1;PKHDLHZCOMUQNK-UHFFFAOYSA-N;100.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299114;MM299114;C=CNC(=N)C(=C)C(=C)C;MKVNOZLHTGFANK-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299115;MM299115;C=C(CCF)C(N)=O;DWENQDZMMKKYKD-UHFFFAOYSA-N;117.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299116;MM299116;C=CNC(=N)C(=C)C(=N)N;YXQAWONYTHSUTH-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299117;MM299117;CC(C)C(C)C(C#N)=CF;UNPGQFLKXDXXPH-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299118;MM299118;C=CNC(=N)C(=C)C(N)=O;ITKQMGFHIQSZPB-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299119;MM299119;C=CC(=CC)C(C)C(C)N;VZUAJCFLJFEOPP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299120;MM299120;CN(C=O)CCC(=O)CF;DZQMYGMCOAWWLT-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299121;MM299121;CC(O)C(C)C(C=O)=CF;KIXPDFKKWYOIIT-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299122;MM299122;C=C(C(C)=O)C(=O)NC=O;HBPXNHGUAKBSLQ-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299123;MM299123;C=CC(=CC)C(C)C(C)F;NUUFRIFAJLYGQQ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299124;MM299124;CCC1(C)CC1C(=O)NC;VVMADAMOSDJUQZ-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299125;MM299125;CC=C(C#N)C(C)C(C)F;FSKNIWSZHMJDTR-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299126;MM299126;C=CNC(=N)C(=O)C(=C)F;MHIQZRBMFKBIQZ-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299127;MM299127;CC(F)C(C)C(C=O)=CF;QQXXEBFPWJSTSC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299128;MM299128;CN=c1[nH]nc(O)o1;OBFVHCOWVXFCLD-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299129;MM299129;C=CC(=CC)C(C)C(F)F;KDIGVGOLLNETOZ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299130;MM299130;C=COC(=C)C(=C)C(=C)C;QRVVFCHWMXHPDC-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299131;MM299131;C=CC(=CF)C(C)C(F)F;ZEHHVPQSECQVNO-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299132;MM299132;C=C(C)C(=C)C(=C)OC=O;VIFHIDUDQIMKBX-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299133;MM299133;C=CC(=CC)C(N)C(C)C;KILWSNGVDRRHND-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299134;MM299134;C=COC(=C)C(=C)C(C)=O;FVFNQTDCPHLANC-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299135;MM299135;C=CC(=CC)C(N)C(C)O;HLYDJFFXWPRUJF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299136;MM299136;C=COC(=C)C(=C)C(=N)N;LTRWXYYOLOAPJS-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299137;MM299137;CNC(=O)C(C)C1(C)CC1;XDQHAOCABOJTPL-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299138;MM299138;C=CC(=CC)C(N)C(C)F;IYOKHBCYKZRNCF-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299139;MM299139;CC(C)C(O)C(C=O)=CN;TWWIGKUQTCPGGA-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299140;MM299140;C=COC(=O)C(=C)C(=C)C;WRODBHHFJGOZEW-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299141;MM299141;C=NOC(C=O)CF;QETJPWHPHUBWPX-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299142;MM299142;C=COC(=O)C(=C)C(C)=O;WFUOMKJOGOMXCB-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299143;MM299143;CC=C(C#N)C(O)C(C)O;OZQOAADCOABTCC-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299144;MM299144;C=COC(=C)C(=O)C(=C)C;LTFAKJBICDKQHN-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299145;MM299145;CNC(C=O)=CC(N)=O;BPAXNTNQWLKIOS-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299146;MM299146;C=COC(=C)C(=O)C(C)=O;XFBBHVYQZKZYEM-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299147;MM299147;CC(F)C(O)C(C=O)=CN;SRYCIMYTUSJDLO-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299148;MM299148;C=COC(=C)C(=O)C(=N)N;UGKXSDYYWNXVJX-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299149;MM299149;CC=C(C#N)C(O)C(F)F;QLAAEPOTTSFKRN-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299150;MM299150;C=COC(=C)C(=O)C(N)=O;BXNVZGPNBOGLSB-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299151;MM299151;C=CC(=NO)C(O)C(C)N;GNIBBFWANSZHEA-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299152;MM299152;NN=CN(O)CC(=O)O;NODCVZAJRSSCLN-UHFFFAOYSA-N;133.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299153;MM299153;CON=CCC(=O)O;FAKDDTNJQJEUQA-UHFFFAOYSA-N;117.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299154;MM299154;C=COC(=O)C(=O)C(=C)C;KJZDAUHBRQLJQL-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299155;MM299155;Nc1nnc(=O)oc1O;LWXVEUIIJUQEDL-UHFFFAOYSA-N;129.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299156;MM299156;C=COC(=O)C(=O)C(N)=O;NGPRTDQGLOFVPR-UHFFFAOYSA-N;143.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299157;MM299157;C=CC(=CC)C(C)N(C)C;ADCZEJLIJGKHRL-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299158;MM299158;C=NOC(=O)C(=C)C(=C)C;HOIDQLSIBHUSJX-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299159;MM299159;CN=C(C=O)N(C)N(C)C;YQSXOPCHWRWFPP-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299160;MM299160;CN(C=O)N=C(NN)NN;WLLCDEALQJBVFX-UHFFFAOYSA-N;146.15;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299161;MM299161;CN(C)N(C)C(C=O)=NO;MXIYVOIPUVAWLA-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299162;MM299162;C=NOC(=O)C(=O)C(=C)F;SBCQBNOTBGJOFS-UHFFFAOYSA-N;145.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299163;MM299163;C#CC(=CC)C(C)C(C)C;GIPRZGHMAUFOGC-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299164;MM299164;C#CCC(=C)C(=C)C(C)=O;RVXZFUQNGNFOBF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299165;MM299165;C#CC(=CF)C(C)C(C)C;BDEWZPFJTPTZBR-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299166;MM299166;C#CCC(=O)C(=C)C(C)=O;DLZLTKAIRJJWBC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299167;MM299167;C#CC(=CC)C(C)C(C)N;RDRRBMHCLQYXSM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299168;MM299168;C#CCC(=O)C(=C)C(N)=O;ZXVAZCYXMACKRX-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299169;MM299169;C#CC(=CF)C(C)C(C)N;JKEAICBPRGLBNP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299170;MM299170;C#CCC(=C)C(=O)C(=C)C;JUZWALRPLAUVFM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299171;MM299171;C#CC(=CF)C(C)C(C)O;BKZPVEMNHMHGFK-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299172;MM299172;C#CCC(=C)C(=O)C(=O)O;APXOAXKQTBZXGL-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299173;MM299173;C#CC(=CF)C(C)C(C)F;SIKIUUVRKVDOAB-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299174;MM299174;CC=C(CC)CNC(C)=O;HXJQGAGLLUDGHW-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299175;MM299175;C#CC(=CC)C(N)C(C)C;NXVUIHQYGMQUFB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299176;MM299176;CC(C)C(C)C(C)C=CF;BPMBHBPRMRRKLP-UHFFFAOYSA-N;144.23;3.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299177;MM299177;C#CC(=CC)C(N)C(C)N;UGHDZMUUVNEHFS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299178;MM299178;CC(N)C(C)C(C)C=CF;YAZSNUGGLXEXCE-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299179;MM299179;C#CC(=CC)C(O)C(C)O;YESXJMJVNVCEDD-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299180;MM299180;C=C(CC)C(=C)C(=O)NC;MZBHWZKAKVOPNS-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299181;MM299181;C#CC=CC(=C)C(N)=O;IYTKEXALBYFCOQ-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299182;MM299182;CC=CC(C)C(C)C(C)F;CRYJGHLLKGDECD-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299183;MM299183;CC1(CCNC=O)CO1;NPPSJAJSXNIGJK-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299184;MM299184;CC(F)C(C)C(C)C=CF;VQPXSUZGSMJFGF-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299185;MM299185;CC=C(CF)C(C)C(C)=O;XVXNZBLYOARGRD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299186;MM299186;CC(C=CF)C(C)C(F)F;NTXGVTKGMPCFOT-UHFFFAOYSA-N;152.16;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299187;MM299187;CC(=O)C(C)C(=CF)CF;YWZPHEFEUWPGAQ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299188;MM299188;CC=CC(N)C(C)C(C)C;NVIVYRGQRKAXKM-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299189;MM299189;CCC(=CF)C(C)C(=N)N;DQSXPMWXNGVXND-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299190;MM299190;CC(C)C(C)C(N)C=CF;VKZCHURWGBQEKD-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299191;MM299191;CCC(=CF)C(C)C(N)=O;FEWARUJBRGOQIG-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299192;MM299192;CC=CC(N)C(C)C(C)N;RKMOLRPVWDROBW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299193;MM299193;CC=C(CN)C(C)C(N)=O;PXBJGADWDNUGJN-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299194;MM299194;CC=CC(N)C(C)C(C)O;HNFRPTIRXMKNJX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299195;MM299195;CC(C(N)=O)C(=CF)CN;PAGZXDZONPJCDQ-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299196;MM299196;CC=CC(N)C(C)C(C)F;CIXZVILAXBTNAC-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299197;MM299197;CC(C(N)=O)C(=CF)CF;NTVUCOPTGCUGTL-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299198;MM299198;CC=CC(O)C(C)C(C)F;ZPNDKSSJSSEDEC-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299199;MM299199;CC1=CC(=CO)OC1=O;GGUOIGZAPDRGOP-UHFFFAOYSA-N;126.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299200;MM299200;CC(F)C(C)C(O)C=CF;FSDAZKMQSCUYSD-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299201;MM299201;C=C(F)C(C)C(=CF)CN;RNXQXQXRSCHDIF-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299202;MM299202;CC(N)C(C)C(F)C=CF;XMVYATCVFAXQOT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299203;MM299203;C=C(F)C(C)C(=CC)CF;FTMOPFXZJVUYNE-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299204;MM299204;CC(F)C(C)C(F)C=CF;OSKIDIWYOXXZKS-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299205;MM299205;C=C(C)C(N)C(=CF)CN;OWCRJTZHKSSSLL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299206;MM299206;CC(C(F)F)C(F)C=CF;AHGITSJPDMUAJC-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299207;MM299207;C=C(C)C(N)C(=CC)CF;JMHKLDFEQRGODC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299208;MM299208;CC=CC(C)C(N)C(C)C;ZUOQOXUUQTYLOF-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299209;MM299209;C=C(F)C(N)C(=CC)CN;OPGRADMEVUQCCZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299210;MM299210;CC=CC(C)C(N)C(C)N;RWORGEPVNXTVMR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299211;MM299211;CCC(=CF)C(O)C(=N)N;XWAVKZPXHYECRS-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299212;MM299212;CC=CC(C)C(N)C(C)O;TVXJWVVOVMUXFS-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299213;MM299213;CC=C(CN)C(O)C(=N)N;JSJDKMHNRKFTKH-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299214;MM299214;CC=CC(N)C(N)C(C)C;MOQLOXNTQUPARF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299215;MM299215;CC=C(CO)C(O)C(=N)N;XERHZGGPNMIAEX-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299216;MM299216;CC(F)C(N)C(N)C=CF;KUOLAOYLAUISNW-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299217;MM299217;CC=C(CN)C(O)C(N)=O;KNRJQRSXGQSBCV-UHFFFAOYSA-N;144.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299218;MM299218;CC=CC(F)C(N)C(C)C;MVGZQTVKOUZUQW-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299219;MM299219;CC=C(CO)C(O)C(N)=O;ADKZZVNBVDIALI-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299220;MM299220;CC(C)C(N)C(F)C=CF;PZFNMKGZVVHMRD-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299221;MM299221;NC(=O)C(O)C(=CF)CO;UJALCQVJWAUMPE-UHFFFAOYSA-N;149.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299222;MM299222;CC=CC(F)C(N)C(C)N;WOCUFOCLPSXFHH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299223;MM299223;C=C(CC(=O)O)C(=O)OC;KBFJHOCTSIMQKL-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299224;MM299224;CC=CC(N)C(O)C(C)N;JYPVVIHGOXWVOI-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299225;MM299225;C=C(C)C(F)C(=CC)CN;NQJDRKQOKPHHAU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299226;MM299226;CC(F)C(O)C(O)C=CF;GBNCYMNTMQPUTD-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299227;MM299227;C=C(C)C(F)C(=CF)CN;AGHTUYGKRTYPQV-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299228;MM299228;CC(N)C(F)C(C)C=CF;IMRDWKSUZYQTRU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299229;MM299229;CC=C(CF)C(F)C(C)=O;NFCXPXJMIPNWFU-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299230;MM299230;CC(F)C(F)C(C)C=CF;JCFURPQIRAXCGX-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299231;MM299231;CC(=O)C(F)C(=CF)CF;RRHKSIVLIWYZHH-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299232;MM299232;CC=CC(N)C(F)C(C)C;GKHBESWIESHLPF-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299233;MM299233;C=C(C)C(C)C(CF)=NN;MXTPNMDBDFSHIE-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299234;MM299234;CC(C)C(F)C(N)C=CF;AJHBQPLYGUNUNN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299235;MM299235;CCC(=NO)C(C)C(C)=O;LNFIXJXAAISQJL-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299236;MM299236;CC(C)C(C)C(C)C=NO;VXPDTIVEDXUJJO-UHFFFAOYSA-N;143.23;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299237;MM299237;CCC(=NO)C(C)C(=N)N;KZFCJXFRWXWJEH-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299238;MM299238;CNC(N)=C(C)C(=O)CF;DBIBBDZWIXRIAR-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299239;MM299239;CC(C(=N)N)C(CO)=NN;XWGXHSJLBRMXSW-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299240;MM299240;CC(O)C(C)C(C)C=NO;OOOAHFMIWARMAU-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299241;MM299241;CNc1cc(F)c(N)[nH]1;OOZNFOPONZKPJE-UHFFFAOYSA-N;129.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299242;MM299242;CC(F)C(C)C(C)C=NN;IBSMTYUYQJXMRF-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299243;MM299243;CCC(=NO)C(C)C(N)=O;BFDQMMIKOOKCBI-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299244;MM299244;CC(F)C(C)C(C)C=NO;RVXJMZDLPAFJBA-UHFFFAOYSA-N;147.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299245;MM299245;O=COCCCC(=O)O;ZGRNDYYUHJKPSQ-UHFFFAOYSA-N;132.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299246;MM299246;CC(C)C(C)C(F)C=NN;UYLNHXZRLSQEQD-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299247;MM299247;C#CC(C)OC=CC(=O)O;UUOXYRZVWLAOFS-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299248;MM299248;CCC(N)=C(C)C(=O)NC;RAQHYTPJSGZCFD-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299249;MM299249;N=C(N)C(O)C(CO)=NN;OHXRQTUGFMRZMO-UHFFFAOYSA-N;146.15;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299250;MM299250;CC(CCCNC=O)=NN;HYGKMTWWQRPEGI-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299251;MM299251;NN=C(CO)C(O)C(N)=O;VCPZCMZBKMSTNP-UHFFFAOYSA-N;147.13;-2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299252;MM299252;CN=c1[nH]ncc(=O)o1;DASAFQSGCMXFNH-UHFFFAOYSA-N;127.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299253;MM299253;N=c1[nH]c(=O)nno1;SKEDENKXCQICOB-UHFFFAOYSA-N;114.06;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299254;MM299254;CCC(F)C=NNCC=O;ASGXDKYJAXRCGH-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299255;MM299255;COC=C(C=O)CC(=O)O;FHNFJALAELKCIX-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299256;MM299256;CC(N)C(F)C(C)C=NO;POBYHTBLHVQVPF-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299257;MM299257;CC=CC(C)(O)C(=O)O;STROXEZSHRHYMN-UHFFFAOYSA-N;130.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299258;MM299258;C=C(C=NNCC=O)CC;IFYLHQWWDYHTHG-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299259;MM299259;C=C(F)C(O)C(CO)=NN;HSIXHIMDGHVKJS-UHFFFAOYSA-N;148.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299260;MM299260;CC=CC(C)C(C)N(C)C;UXTRYDKKPGFNKA-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299261;MM299261;CC(=CC(=O)O)C(O)C=O;AHHUWTAGVDSXFD-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299262;MM299262;CC(C=CF)C(C)N(C)C;DQPMDZJYOMOZQL-UHFFFAOYSA-N;145.22;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299263;MM299263;Cc1cnnc(N)c1F;BGAGNZSUTRDPLK-UHFFFAOYSA-N;127.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299264;MM299264;CC=CC(N)C(C)N(C)C;DXSPINDULOADQF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299265;MM299265;CC(C(=N)N)C(=NO)NN;VNJNGQXEYAPRGN-UHFFFAOYSA-N;145.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299266;MM299266;CN=CN(C)C(C)C(C)C;RYKBAFMOSZHACK-UHFFFAOYSA-N;142.25;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299267;MM299267;CC(C(=N)N)C(=NO)NO;DRPIABQZXYNYTP-UHFFFAOYSA-N;146.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299268;MM299268;CC(C)C(C)N(C)C=NN;QEHRYXQRLXEPRT-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299269;MM299269;C=C(C)C(O)C(=NO)NN;GCAVFURXBFJPEQ-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299270;MM299270;C=CC(=C)C=NNCC=O;SEJZHIPORPKDDG-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299271;MM299271;CN=C(NN)C(O)C(=N)N;MUQZBGJBRBMHDV-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299272;MM299272;CN=CN(C)C(C)C(C)F;GIWKSOIRATUCOA-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299273;MM299273;CN=C(NO)C(O)C(=N)N;DPWJAOQXFRTJNH-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299274;MM299274;CN=CN(N)C(C)C(C)C;WYFNPYHDUBUXJH-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299275;MM299275;O=c1nc(O)n(O)c(O)n1;YDBAEPPQEPBYQJ-UHFFFAOYSA-N;145.07;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299276;MM299276;CC=NN(C)C(C)C(C)N;ZLYKHDSIRLPRMA-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299277;MM299277;NC(=O)N=c1[nH]c(=O)[nH]o1;OGJLYMAIGKRGJN-UHFFFAOYSA-N;144.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299278;MM299278;CC=C(C)C=NNCC=O;WQOTUUUHZQHQOK-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299279;MM299279;CC1OC1CCNC=O;LAHXSHGOPOPNFG-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299280;MM299280;C=C(C)C(C)C(C)C=CC;IEBRRRPAWHELKU-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299281;MM299281;CC(C)(C)CN(N)C(N)=O;ZMBAFYCIQSNYIV-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299282;MM299282;CC(=O)C(C)C(C)C=CF;YQJVXSSHGCMCLZ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299283;MM299283;CC(CC(N)=O)CC(N)=O;GEEJEZGBUIZQTQ-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299284;MM299284;CC=CC(C)C(C)C(=N)N;JLYBXMAJFDLRCS-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299285;MM299285;C#CC(C)(C)CNC(C)=O;MGQVIWIRQSFSFV-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299286;MM299286;COC(C)=CCCNC=O;SFRBMZBXPDDDMM-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299287;MM299287;O=CC(O)CCC(=O)O;WFXFYNFGRSFUDQ-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299288;MM299288;C=C(CNC=O)C1(C)CC1;XJTQGUFSEQWKAI-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299289;MM299289;C=C(C)C(C)C(=CC)OC;UZTIXCVWXNNSPG-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299290;MM299290;CC(C=CF)C(C)C(=O)O;WXKTUHGJPUYYKW-UHFFFAOYSA-N;146.16;1.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299291;MM299291;COC(=CF)C(C)C(=N)N;KOQBEMFRZIHYJP-UHFFFAOYSA-N;146.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299292;MM299292;C=C(C)C(C)C(N)C=CC;IPPSHVNAVPLRLB-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299293;MM299293;COC(=CF)C(C)C(N)=O;YCNYZVZLYHXLLR-UHFFFAOYSA-N;147.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299294;MM299294;C=C(C)C(C)C(N)C=CF;OWLTZVMZERDUCV-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299295;MM299295;COC(=CF)C(N)C(=N)N;XNJQXXKRMQWIOG-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299296;MM299296;CC=CC(N)C(C)C(N)=O;UOXRUXVKCQVKIB-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299297;MM299297;CC=C(OC)C(O)C(=N)N;QSUWADUPJWMBHF-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299298;MM299298;C=C(F)C(C)C(N)C=CC;KWGUSTOKXBKRRO-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299299;MM299299;COC(=CF)C(O)C(=N)N;OXSQJQHLWGQJIJ-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299300;MM299300;C=C(F)C(C)C(N)C=CF;ZOBVSTOSMCEUER-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299301;MM299301;CC=C(OC)C(O)C(N)=O;VPRVIRSDLASFCF-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299302;MM299302;CC=CC(O)C(C)C(C)=O;BIZAOEYOWZGVBL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299303;MM299303;COC(=CF)C(O)C(N)=O;IMJUERLQNIZAMR-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299304;MM299304;CC=CC(O)C(C)C(=N)N;VTAVKEKYQAMQBO-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299305;MM299305;N=c1nn[nH]c(N)nc1=O;QZMKYPJWLZSJEH-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-9.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299306;MM299306;CC(C(=N)N)C(O)C=CF;MWGIGBDFTSVHGU-UHFFFAOYSA-N;146.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299307;MM299307;C=C(F)C(O)C(=CF)OC;CHMYTJMQVLUXBY-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299308;MM299308;CC=CC(O)C(C)C(N)=O;VKANJDKLPPFPIT-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299309;MM299309;O=C(O)CCC(=O)CO;HVCNSAJVIFXBHU-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299310;MM299310;CC(C(=N)N)C(F)C=CF;QERHZRPKPGNXFC-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299311;MM299311;O=C(O)CC(F)CO;VICVHYSJHIYLHQ-UHFFFAOYSA-N;122.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299312;MM299312;CC(C(=O)O)C(F)C=CF;BWFRTWSJFCWOGY-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299313;MM299313;COC(=NN)C(O)C(=N)N;BGXONKGVXHSUSX-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299314;MM299314;C=C(F)C(C)C(F)C=CF;FPSIPYIITJTGMA-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299315;MM299315;COC(=NN)C(O)C(N)=O;DSWZBTBDLJONQS-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299316;MM299316;C=C(C)C(N)C(C)C=CC;MCHKJSGYRHSFSU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299317;MM299317;CCCC(=O)NCC(=O)O;WPSSBBPLVMTKRN-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299318;MM299318;C=C(C)C(N)C(C)C=CF;YYJLSFXXEFOAFH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299319;MM299319;CCn1[nH]nc(N)c1=O;MCNHSKYQSUJSPZ-UHFFFAOYSA-N;128.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299320;MM299320;CC=CC(C)C(N)C(N)=O;CYGXGSRNWDUOJS-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299321;MM299321;C=Cc1nnn(C=C)c1O;UCEWCZVEFKRUHO-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299322;MM299322;CC(C=CF)C(N)C(N)=O;YWLGWAMIIYPZMR-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299323;MM299323;COC(=NN)C(F)C(N)=O;MXUYTXTUDLLTGU-UHFFFAOYSA-N;149.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299324;MM299324;C=C(F)C(N)C(C)C=CF;UJGPQELTMQDTHV-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299325;MM299325;CC=C(CC)N(C)C(C)=N;BBFVMYXNCZTKSZ-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299326;MM299326;C=C(C)C(N)C(F)C=CF;QRTUNLFVXMCAOC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299327;MM299327;CC(=N)N(C)C(=CF)CN;ZSOBDEDLWSOOEV-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299328;MM299328;N=C(N)C(N)C(F)C=CF;SHIGQPXIFQWUCP-UHFFFAOYSA-N;149.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299329;MM299329;CC=C(CC)N(C)C(=N)N;QVEXZRCGYZIKNK-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299330;MM299330;CC=CC(C)C(O)C(=N)N;NVJNTSPXWKPXDV-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299331;MM299331;CC=C(CO)N(C)C(=N)N;VQVKXWVMWNLJMF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299332;MM299332;CC=CC(O)C(O)C(C)=O;FTBGAOGJLNZDRG-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299333;MM299333;CC(=N)N(N)C(=CF)CO;VYVBZMVRJICIQF-UHFFFAOYSA-N;147.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299334;MM299334;N=C(N)C(O)C(O)C=CF;NMYOUIHPWXEYHC-UHFFFAOYSA-N;148.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299335;MM299335;C=NNCC(C)(C)NC=O;ZGJLPTWIYUVKKI-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299336;MM299336;CC(=NN)N(O)CC(=O)O;BFCDZTJHZZJZSE-UHFFFAOYSA-N;147.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299337;MM299337;NC(=O)C(O)C(F)C=CF;DQEILRBSCFAUNE-UHFFFAOYSA-N;151.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299338;MM299338;N=C(N)N(N)C(=CF)CO;WRHFCQPFXZLSCV-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299339;MM299339;CC(C=CF)C(F)C(=O)O;NVCYVQIPJOBRMO-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299340;MM299340;CC(NC=O)C(C)(C)C=O;RVMOQHJYZHBKLJ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299341;MM299341;C=C(C)C(F)C(N)C=CF;SSVKNMADMHQEJY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299342;MM299342;NN=COC=CCC(N)=O;XZYXCCHHVZVEAW-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299343;MM299343;NC(=O)C(F)C(O)C=CF;UMOZPXDDHAKCKW-UHFFFAOYSA-N;151.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299344;MM299344;CC=C(CN)N(O)C(C)=N;HASOCZATJXYACT-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299345;MM299345;C=C(C)C(F)C(F)C=CF;GOFBEJWGJDXSDO-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299346;MM299346;CC=C(CC)N(O)C(=N)N;YCNSBIUEKBXJNT-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299347;MM299347;CC(=O)C(C)C(C)C=NO;KIDVENBSLOZLCC-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299348;MM299348;N=C(N)N(O)C(=CF)CO;CQOOZBIMBKVSAD-UHFFFAOYSA-N;149.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299349;MM299349;C=NN(C(=N)N)C(=N)C#N;KDEUPMLZDGPJAL-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299350;MM299350;CC=C(CF)N(O)C(=N)N;QIWCDQHEIYQNSO-UHFFFAOYSA-N;147.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299351;MM299351;CC=C(C(N)=O)C(C)CF;FBIBZBQHFYLODI-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299352;MM299352;CC=C(CC)N(O)C(N)=O;UEJWXHJKELHEEN-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299353;MM299353;NC(=NO)C(O)CC(=O)O;VUEIZHOJXFQYEW-UHFFFAOYSA-N;148.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299354;MM299354;CN=C(CF)N(C)C(C)=O;IIGFAFNRNCVCDQ-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299355;MM299355;N=C(N)C(O)C(O)C=NN;WZDPPNDCPWDLCO-UHFFFAOYSA-N;146.15;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299356;MM299356;CN(C(=N)N)C(CO)=NN;RCVLZNPMCFDUNU-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299357;MM299357;C#CC(CNC=O)C(C)C;XKJPBFRGYGITFU-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299358;MM299358;CC=CCNC(=O)C=CN;UHOLXUCOORFHQY-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299359;MM299359;N=c1nnc(O)nn1O;JLCGGTBALGTNTQ-UHFFFAOYSA-N;129.08;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299360;MM299360;CCC(=NO)N(N)C(C)=O;AZAXXMPVGRCOAH-UHFFFAOYSA-N;145.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299361;MM299361;CNN(C=O)CCC(=O)O;ZYFBZWFTZLWEQF-UHFFFAOYSA-N;146.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299362;MM299362;CCC(=NC)N(N)C(=N)N;WYXFHWWANMLGJF-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299363;MM299363;CC=C(CCNC=O)OC;NEFGBHQWDVLHLD-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299364;MM299364;CN=C(CO)N(N)C(=N)N;AMWZBRLRKDHTAN-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299365;MM299365;Nn1cnc(O)nc1=NO;NMRJFDBQGPYPQB-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299366;MM299366;N=C(N)N(N)C(CO)=NN;OQTCVPXGISNVHP-UHFFFAOYSA-N;146.15;-2.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299367;MM299367;CN1C=NC(C#N)C1=N;RAHNUZSXLJMCQG-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299368;MM299368;CN=C(CF)N(N)C(=N)N;WDCYETCSXDSGIF-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299369;MM299369;C=CC1(CC)CC1NC=O;CYXNKKQTZJPXJC-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299370;MM299370;C#CC(NC)=C(C)C(N)=O;OLBPFRFGQICAOL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299371;MM299371;C=C(C)C(C)N(C)C=NC;SVLBUDOCSQGZCJ-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299372;MM299372;CCCCCN(N)C(N)=O;RQWWVIXZYICMOH-UHFFFAOYSA-N;145.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299373;MM299373;C#CC12CN(C)C(=O)C1N2;MTRBTSAVMLRSQA-UHFFFAOYSA-N;136.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299374;MM299374;CCC(=NO)N(N)C(N)=O;QGPFLYKDXYCODY-UHFFFAOYSA-N;146.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299375;MM299375;C=C(C)C(C)N(N)C=NC;DICHTEPCGOVVOW-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299376;MM299376;CCC(=NC)N(O)C(=N)N;CARGHWOOPGVZRO-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299377;MM299377;CN=CN(O)C(C)C(=N)N;ULTIJFBGXVYPHR-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299378;MM299378;N=C(N)N(O)C(CF)=NN;SJWLEFLPHSSQHH-UHFFFAOYSA-N;149.13;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299379;MM299379;CC=CC(C)N(C)C(C)=N;HJCHUBICHCPOIO-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299380;MM299380;CCC(=NC)N(O)C(N)=O;ALNOYHFBBYEMRY-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299381;MM299381;CC(=N)N(C)C(C)C=CF;SXCVDZPOTFGTOS-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299382;MM299382;CC(=N)N(C)C(=NO)NN;KKUXZEOUBUNNFY-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299383;MM299383;CC=CC(C)N(C)C(C)=O;FEXMZWHWLTYSHH-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299384;MM299384;CC(=N)N(C)C(=NN)NO;KKUXZEOUBUNNFY-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299385;MM299385;CC=CC(C)N(C)C(=N)N;DNPOWRFBHPZQLU-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299386;MM299386;CC(=N)N(C)C(=NO)NO;CYBYIVNBIXKVEO-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299387;MM299387;C=NNCCCCNC=O;PLGIJPFNCJHKJN-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299388;MM299388;C=C(C=CC(=O)NC)OC;CTJXMFDNRUECNZ-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299389;MM299389;CC(C=CF)N(N)C(=N)N;QAVKIYCNVDCIGG-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299390;MM299390;CCN(CC)CC(=O)C#N;AGCDOEZQGCRDEV-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299391;MM299391;CC=CC(C)N(O)C(C)=N;NOFDPXQUYPKCJZ-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299392;MM299392;CC(=O)N(C)C(=NO)NO;AOCGKVIWJYQRCB-UHFFFAOYSA-N;147.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299393;MM299393;CC(=O)N(C)C(C)C=NN;IDMYTYVYSWPFPZ-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299394;MM299394;CNC(=NN)N(C)C(=N)N;IQTUDSAECBTNQK-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299395;MM299395;NN=CCCCCNC=O;BGEKLIHNFOLUAM-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299396;MM299396;CNC(=NO)N(C)C(=N)N;XVDPJRSXXMBPHV-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299397;MM299397;CC(C=NO)N(N)C(N)=O;RTFUJCUANGCQFG-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299398;MM299398;CN=C(NO)N(C)C(=N)N;XVDPJRSXXMBPHV-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299399;MM299399;CN=CN(C)N(C)C(C)=O;VCSIUOJVDMDARP-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299400;MM299400;C=C(C)N(N)C(=NC)NN;GZPLZQVHLKYVAG-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299401;MM299401;CN=CN(C)N(C)C(=N)N;JNLPAGWLOIKCME-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299402;MM299402;CNC(=NO)N(N)C(C)=N;CIEDIXCWSNESQB-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299403;MM299403;CCOC=CCCNC=O;ZJFAMATUUQSJGF-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299404;MM299404;CC(=N)N(N)C(=NN)NN;LGXKPHZDQXIWCD-UHFFFAOYSA-N;145.17;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299405;MM299405;CN(C=NO)N(C)C(N)=O;AEXPQKBJRXZNDF-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299406;MM299406;C=C(C=CF)C(C)C(C)N;GFHGOHDOGDHIGA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299407;MM299407;CC(=N)N(N)C(=NO)NN;RKSASGMSAZFHGG-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299408;MM299408;COC=CC=NNCC=O;VBCJRVABIFRCKI-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299409;MM299409;CC(=N)N(N)C(=NN)NO;RKSASGMSAZFHGG-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299410;MM299410;C=C(C=CC)C(C)C(F)F;GAVPYXBMURRFNI-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299411;MM299411;N=CN(C=O)CC(=O)C=O;WEGVUEIAUYOCSO-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299412;MM299412;C=C(C=CF)C(C)C(F)F;CTKWAUAQTXRPMN-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299413;MM299413;N#CC(=O)CC1(C=O)CN1;NAFGVPQJUDICCB-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299414;MM299414;CC=CC(=O)C(C)C(C)C;BAPYBUOLJVKJHN-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299415;MM299415;C=CCNC(=O)C=CNC;ZSBAAWFKYWTHHX-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299416;MM299416;CC(C)C(C)C(=O)C=CF;XETZPVUBXDDLND-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299417;MM299417;CC(=O)N(N)C(=NO)NO;KZXFKWPVZDMPFV-UHFFFAOYSA-N;148.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299418;MM299418;CC=CC(=O)C(C)C(C)O;CMUPHWRIYRONJV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299419;MM299419;CNC(=NN)N(N)C(=N)N;HKPKJTNWEGSNJX-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299420;MM299420;CC=CC(=O)C(C)C(C)F;JDIWVZGEHPTJJB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299421;MM299421;CNC(=NN)N(O)C(C)=N;LOKFBPBMYRPTKC-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299422;MM299422;C=C(C=CC)C(N)C(C)C;WXVADBSEYXTYDI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299423;MM299423;COC(=CF)N(C)C(C)=O;SFPAWKGXMLMFJP-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299424;MM299424;C=C(C=CF)C(N)C(C)C;RUIVRHVKFCMTGU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299425;MM299425;CC=C(OC)N(N)C(C)=N;NKEYDODFIPNHPP-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299426;MM299426;C=C(C=CF)C(N)C(C)O;TZQAHMCCOMMSAT-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299427;MM299427;CC=C(OC)N(N)C(C)=O;QAYCZNUZWVPERZ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299428;MM299428;C=C(C=CF)C(N)C(C)F;WTOGEBJBVSEGOC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299429;MM299429;CC=C(OC)N(N)C(=N)N;ZJZKNZIERDWDRU-UHFFFAOYSA-N;144.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299430;MM299430;C=CC=CC=NNCC=O;MLUXIIJPOPXRGT-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299431;MM299431;COC(=CF)N(N)C(=N)N;RXWAVEXBLRRQOI-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299432;MM299432;C=C(C=CF)C(O)C(C)N;ODSUSBBTHBVZOM-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299433;MM299433;C=CC#CC(C)CNC=O;PUSMTGAHYHCRAF-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299434;MM299434;CC(C)C(O)C(=O)C=CN;NIQDNZRDFJUJRG-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299435;MM299435;CN=C(OC)N(N)C(=N)N;CPINUGDWTKVGTQ-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299436;MM299436;CC(F)C(O)C(=O)C=CN;VPZMHNFNCBDSEN-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299437;MM299437;COC(=NN)N(N)C(=N)N;LHYIBDBNMQHRIK-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299438;MM299438;O=CC(=O)C1CN1;NZZJPXLWAIXEFC-UHFFFAOYSA-N;99.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299439;MM299439;C=NN(C)C(C=O)CCF;SMLBEDGPBUUMQQ-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299440;MM299440;C=C(C=NO)C(N)C(C)C;NELLMGDTBPHOCG-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299441;MM299441;C#Cc1n[nH]c(CC)c1C;IYMKPKZFMPTHCM-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299442;MM299442;C=C(C=NO)C(O)C(C)O;GYHPTRNWXINUQR-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299443;MM299443;CN=C(OC)N(O)C(=N)N;WGDUXHLJJQQPKF-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299444;MM299444;C=C(C=NO)C(O)C(F)F;NFRLMBZHVXNEEE-UHFFFAOYSA-N;151.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299445;MM299445;C=CC(=CC)C(C)C(=C)C;XRUIRUDLWHKQMP-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299446;MM299446;CC(C)N(C)C(=O)C=CF;KAMRJLDMCOGBKL-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299447;MM299447;CC(C)N(N)C(=N)C=CF;ZEAXKGQERCIDON-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299448;MM299448;C=C(C)C(C)C(C#N)=CC;MKIIQBQTGKXWOJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299449;MM299449;CC(C)N(O)C(=O)C=CF;JCESPZSBQGHKQJ-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299450;MM299450;C=C(C)C(C)C(C#N)=CF;RATGRKWPOBBMAX-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299451;MM299451;CN(C)N(C)C(=N)C=CN;TVAKRWWYACDTBC-UHFFFAOYSA-N;142.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299452;MM299452;CC=C(C#N)C(C)C(C)=O;UUAURWFKXHEAEV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299453;MM299453;C=C(C=CC)C(C)C(C)=O;OXCLZXMACJPTLK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299454;MM299454;C=CC(=CC)C(C)C(=N)N;JOLCNPRXQRAVIZ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299455;MM299455;C=C(C=CC)C(C)C(=N)N;WNDJOLNLCZLNRE-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299456;MM299456;C=CC(=CF)C(C)C(=N)N;DLPVVKAADVWXJM-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299457;MM299457;C=C(C=CF)C(C)C(=N)N;BPLDEITTYJXSTC-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299458;MM299458;CC=C(C#N)C(C)C(=N)N;DMHYHFOMFXBQTB-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299459;MM299459;O=CON=CC(F)F;MTITZBZTYAUSBS-UHFFFAOYSA-N;123.06;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299460;MM299460;CC(C(=N)N)C(C#N)=CN;OPVNPWRHHVCICK-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299461;MM299461;C=C(C=CC)C(C)C(=O)O;YPRRDBSNLSRUBX-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299462;MM299462;CCNc1cc[nH]n1;FVSRJWMYUVOQNY-UHFFFAOYSA-N;111.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299463;MM299463;C=C(C)C(C)C(=O)C=CF;ZWYVGZCNLWWTAQ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299464;MM299464;CC(C(N)=O)C(C=O)=CF;GPPCMIPGBCBUGD-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299465;MM299465;CC(=O)C(C)C(=O)C=CF;BRVCKSPBIPNRDG-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299466;MM299466;C=CC(=CC)C(C)C(=O)O;VJHOLLMBARNLQO-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299467;MM299467;CC(C(N)=O)C(=O)C=CN;XYZBBMABAZWWQW-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299468;MM299468;CC=C(C#N)C(C)C(=O)O;RYKLBQRPHCKYDU-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299469;MM299469;CC(C(N)=O)C(=O)C=CF;SJWVADNEUULSLZ-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299470;MM299470;C#Cc1onc(C=C)c1O;FPZWLSDYHYXJEC-UHFFFAOYSA-N;135.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299471;MM299471;C=C(F)C(O)C(=O)C=CN;ANAYKELYTBRNRM-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299472;MM299472;C=C(F)C(C)C(C#N)=CC;BOXXYWFDYRNZAE-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299473;MM299473;C=C(C=CF)C(F)C(C)=O;DEUZTEINDOIGNY-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299474;MM299474;C=C(F)C(C)C(C#N)=CN;VPJWSKZRSLVDFB-UHFFFAOYSA-N;140.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299475;MM299475;C=C(C)C(F)C(=O)C=CF;LFADUHRDMOFEQA-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299476;MM299476;C=C(F)C(C)C(C=O)=CF;BUGQCCHRWBUBNE-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299477;MM299477;NN=Cc1cc[nH]c1;RMGLOOMTXJTXLD-UHFFFAOYSA-N;109.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299478;MM299478;C=CC(=CC)C(N)C(=N)N;TWOGCBZZNHPNHW-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299479;MM299479;C=C(C=CC)N(C)C(C)=N;RIXSTQRYCZGZJX-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299480;MM299480;C=CC(=CC)C(O)C(C)=O;XVXVQGLEUQIKNK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299481;MM299481;C=C(C=CF)N(C)C(=N)N;YVAGHDDYNXHEQH-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299482;MM299482;CC(=O)C(O)C(C=O)=CN;GHGOIVSEVPUYON-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299483;MM299483;C=C(C=CF)N(C)C(N)=O;POEZYNIQSUOBEN-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299484;MM299484;CC=CC(=N)N(C)C(C)=N;JJSJQCAWYOGXEH-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299485;MM299485;CC(=O)C(O)C(C#N)=CN;VCKIONZGBMMSRP-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299486;MM299486;CC(=N)N(C)C(=N)C=CF;RQJFKXXVGDBGOF-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299487;MM299487;C=CC(=CF)C(O)C(=N)N;OXSIEZXGTBCZAU-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299488;MM299488;CC=CC(=N)N(C)C(C)=O;BCYOXFRQKLTMDU-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299489;MM299489;CC=C(C#N)C(O)C(=N)N;WCQKSEJDRATWOO-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299490;MM299490;CN(C(=N)N)C(=N)C=CN;MWLJMFILPSVIDQ-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299491;MM299491;N#CC(=CN)C(O)C(=N)N;VGKFPJHCDQQPNM-UHFFFAOYSA-N;140.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299492;MM299492;CN(C(=N)N)C(=N)C=CF;YVODMTAOEJKGHQ-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299493;MM299493;N#CC(=CN)C(O)C(N)=O;DUBVRMUCWKPWPT-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299494;MM299494;C=NN1C(C)C1C=O;SKHRAQRMDPOQCJ-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299495;MM299495;N#CC(=CF)C(O)C(N)=O;GWKZVZIRZSKPKO-UHFFFAOYSA-N;144.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299496;MM299496;C=C(C(N)=O)C1CN1;PDWLKDUIPFFLHK-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299497;MM299497;NC(=O)C(O)C(CO)=NO;IZSVMNFYPJMWKR-UHFFFAOYSA-N;148.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299498;MM299498;C=C(C)N(C)C(=O)C=CC;HTUVPBNCGUCTQX-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299499;MM299499;Oc1n[nH]c(F)c1O;FXZLQNSWTRMZKO-UHFFFAOYSA-N;118.07;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299500;MM299500;CN(C(=N)N)C(=O)C=CN;OGPRKSLNVFZKGN-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299501;MM299501;C=C(F)C(O)C(C#N)=CC;WQDZQIACOBJPOM-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299502;MM299502;CN(C(=N)N)C(=O)C=CF;RBUKTINESWELLB-UHFFFAOYSA-N;145.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299503;MM299503;C=CC(=CF)C(F)C(C)=O;YHOFMJQPNWZOOS-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299504;MM299504;CN(C(N)=O)C(=O)C=CN;DXWDMCIQQJHUEL-UHFFFAOYSA-N;143.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299505;MM299505;O=C(O)CCCOC=NO;LXEHGZUGRSEQOP-UHFFFAOYSA-N;147.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299506;MM299506;CN(C(N)=O)C(=O)C=CF;CHPKIMLDUGIUSZ-UHFFFAOYSA-N;146.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299507;MM299507;O=C(O)CCC(CO)=NO;QYRUUAHPDLVVKZ-UHFFFAOYSA-N;147.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299508;MM299508;C=C(C=CF)N(N)C(C)=O;WRIHGFOJEZCSNH-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299509;MM299509;C=CC(=NO)C(C)C(C)=O;AEPCACQPZZCJDT-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299510;MM299510;C=C(C)C(C)(C)NC=O;AIUVHCTUDBYMTA-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299511;MM299511;C=NNCCNC=O;DAMWIBLFOLTIQM-UHFFFAOYSA-N;115.14;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299512;MM299512;N=C(N)N(N)C(=N)C=CN;QGBVHYRCCCWHNA-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299513;MM299513;Nc1c(O)nn(N)c1F;NCVFFQAPOHCUFR-UHFFFAOYSA-N;132.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299514;MM299514;CC(C)NC(=O)C(C)C;IGZDXYHMGWRJAZ-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299515;MM299515;C=CC(=NN)C(C)C(=C)F;URLFAYQJLOEHFO-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299516;MM299516;C=C(C)N(N)C(=O)C=CF;XUYSNYZVOHDBBI-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299517;MM299517;C=CC(=NO)C(C)C(=C)F;BEDLYRIMJYYYRI-UHFFFAOYSA-N;143.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299518;MM299518;CC=CC(=O)N(N)C(C)=N;GMKPYOTZCYUCTK-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299519;MM299519;COC(CC(=O)O)=NN;SULPEEDHRCGKCA-UHFFFAOYSA-N;132.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299520;MM299520;CC1(CCC(N)=O)CO1;BNWUZEFIPUESSO-UHFFFAOYSA-N;129.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299521;MM299521;NNC(=O)OCCC(=O)O;MKEFMAPMJGZHAA-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299522;MM299522;N=C(N)N(N)C(=O)C=CN;ZEOWGZOLQFMSDI-UHFFFAOYSA-N;143.15;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299523;MM299523;C=C(C)CN=C(N)C(=O)O;YXZZNYHXMQWKBJ-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299524;MM299524;CCON=C(C)CC=O;AQKFTNGHPYJGLK-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299525;MM299525;C=CC(=NN)C(O)C(=N)N;LYNRRIYDGVMGGE-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299526;MM299526;N=C(C=CN)N(O)C(N)=O;MTLNEDGVVQGZGI-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299527;MM299527;CN=c1[nH]c(O)nc(=N)o1;ANFJFZMNXBHYAN-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299528;MM299528;C=C(C=NN)N(C)C(C)=O;LKEXZULJMOVKIV-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299529;MM299529;N=c1nnnc(O)n1N;WCVWWJRJWXZXHG-UHFFFAOYSA-N;128.1;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299530;MM299530;COC(C)=C(C)C(N)=O;QTPIGLJOZVLNRR-UHFFFAOYSA-N;129.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299531;MM299531;N#CC1NC1CC=O;IEHHWPQKNKXYKQ-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299532;MM299532;C=C(C=NO)N(C)C(N)=O;YIMRWDIPFNYJOR-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299533;MM299533;Cn1c(N)nc(=O)n1C;WVXGJEWLSZUACP-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299534;MM299534;C=C(C)N(C)C(=N)C=NN;ZJMSHLLRIQSOCA-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299535;MM299535;Cn1oc(=O)nc(O)c1=O;WFCLPTBLVUOMDR-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299536;MM299536;CN(C(=N)N)C(=N)C=NN;SAESWRABRSFBHB-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299537;MM299537;C=CC(=CF)N(C)C(C)=N;HGVAQEBFAZHQEW-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299538;MM299538;CN(C(=N)N)C(=N)C=NO;DVEFTSFCDRJJEB-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299539;MM299539;CC=C(C=O)N(C)C(C)=N;QREKHJLTNXVWSJ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299540;MM299540;CCC(C)=NNCC=O;PJIGSRYUAHSZCA-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299541;MM299541;CC=C(C#N)N(C)C(C)=N;NGTXYQSUDXHYTP-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299542;MM299542;C=CC(=C)C(C)NC=O;VGEJXBUXVTZUQT-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299543;MM299543;CC(=N)N(C)C(C#N)=CN;APVDZWSNJXKXLP-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299544;MM299544;C=C(C=NO)N(N)C(C)=O;BSRWVBUDTBRPSK-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299545;MM299545;CC(=O)N(C)C(C#N)=CF;KBMVXWVLRAOSBJ-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299546;MM299546;CCC(CC=O)=NOC;OMOQQRBZPZGUEA-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299547;MM299547;C=CC(=CC)N(N)C(C)=N;GTOQUGVXBCFOTK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299548;MM299548;N=C(N)N(N)C(=N)C=NN;XOCBQYFLVJVKEK-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299549;MM299549;CCC(=O)NC1CC1C;ZEWMPNGHEWAXGL-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299550;MM299550;N=C(N)N(N)C(=N)C=NO;TVJYYMMEZMKZCT-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299551;MM299551;C=CC(=NO)N(C)C(=N)N;MRUHTEJWIPRIKW-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299552;MM299552;CC1N=C(C#N)NC1=N;FSYBSVHDCJDVAE-UHFFFAOYSA-N;122.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299553;MM299553;CN=C(C=O)N(C)C(=N)N;FCNBUEHUMKEPEI-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299554;MM299554;N=C(C=NO)N(N)C(N)=O;OIHGHRMEYKCFJK-UHFFFAOYSA-N;145.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299555;MM299555;CCn1ncc(NN)n1;MMTJVGCOKAOGQL-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299556;MM299556;N=C(N)N(N)C(=O)C=NN;UZMQDTLZHWSENG-UHFFFAOYSA-N;144.14;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299557;MM299557;C=CC(=NO)N(C)C(N)=O;VNGJWPBZKKXDMO-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299558;MM299558;CC1CN1CCNC=O;BTOLBHSIBJHERZ-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299559;MM299559;CN=C(C=O)N(C)C(N)=O;RKVCGWYFZSFTFX-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299560;MM299560;C=C(C=NN)N(O)C(=N)N;SQTOOIJUUFGGIM-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299561;MM299561;CN(C(N)=O)C(C=O)=NO;UCJLQIYBKRLBHZ-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299562;MM299562;C=C(C=NN)N(O)C(N)=O;ZUSKDOYDKRBYRZ-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299563;MM299563;C=CC(=NC)N(N)C(C)=O;PFWHYMOZWICTEL-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299564;MM299564;C=C(C=NO)N(O)C(N)=O;UNENFZLGAURFKB-UHFFFAOYSA-N;145.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299565;MM299565;C=CC(=NO)N(N)C(C)=O;HAHVJMLOUXXXKP-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299566;MM299566;N=C(N)N(O)C(=N)C=NN;VCKLGPOBSBRSLQ-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299567;MM299567;C=CC(=NC)N(N)C(=N)N;MIVCHLXXVGXOFX-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299568;MM299568;CCN(C=N)C(=O)CF;REMQAMFJWCOTFH-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299569;MM299569;CC(=O)NC1(C)C(C)C1C;FHYLDWKGIIQNSZ-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299570;MM299570;C=C(C(F)F)C(C)C=CF;MCYZCBDRJUWJJR-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299571;MM299571;C=C(CN(N)C=O)C(N)=O;QPTSJHFATSQOGC-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299572;MM299572;C=C(C(C)N)C(N)C=CC;CTTSMEXYHHRZAX-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299573;MM299573;C=CC(=NO)N(N)C(N)=O;BPKRWVQPZLEEOQ-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299574;MM299574;C=C(C(C)O)C(N)C=CC;OZPZCZWNZRYZHE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299575;MM299575;C=CC(=NN)N(O)C(=N)N;MCMRXEOFEUUKOY-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299576;MM299576;C=C(C(C)C)C(O)C=CF;DJGHMVUCKJUNNR-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299577;MM299577;C#CC(=CC)C(C)C(=C)C;OMLJBOGHFNLFEJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299578;MM299578;C=C(C(C)N)C(O)C=CF;NDEXBMIGSYBWOJ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299579;MM299579;C#CC(=CF)C(C)C(=C)C;AMJRLHBOMWVICA-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299580;MM299580;CC(C)C(=O)C(C)C=CF;XOJKRABIKBQDCB-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299581;MM299581;C#CC(=CC)C(C)C(C)=O;CJPOWYPPFQGVFP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299582;MM299582;CC=CC(O)C(=O)C(C)O;DKJQOXHZSYPHGJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299583;MM299583;C#CC(=CF)C(C)C(C)=O;SMUPNEKYUIGYPU-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299584;MM299584;C=C(C(C)C)C(C)C=NN;BNLXNLWNYBOHEJ-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299585;MM299585;C=C(C(C)C)C(C)C=NO;UGWLEQRPEYDGFS-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299586;MM299586;C#CC(=CC)C(C)C(N)=O;MWGMJFDALFNFAW-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299587;MM299587;C=C(C(C)N)C(C)C=NO;VHEAXTIKLHALIJ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299588;MM299588;C#CC(=CF)C(C)C(N)=O;GTAJKFMMFWJKMX-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299589;MM299589;C#CCC=NNCC=O;MYDQLZLCNRBBDF-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299590;MM299590;C#CC(=CF)C(C)C(=O)O;MFWQXUQDYLLJNA-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299591;MM299591;C=C(CC(C)(C)F)C(N)=O;OIYYRJKSUVITDS-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299592;MM299592;C#CC(=CF)C(C)C(=C)F;KOJXVIUQOSNPAQ-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299593;MM299593;CC(C)C(=O)C(C)C=NO;PHNAKJUQMZOMAY-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299594;MM299594;C#CC(=CC)C(N)C(=C)C;QCLLIGGDUCMVGB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299595;MM299595;N#Cc1[nH]oc(=NO)c1F;RWGWXDDQDYOREN-UHFFFAOYSA-N;143.08;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299596;MM299596;C#CC(=CF)C(O)C(=N)N;QVKWUIGVQKDRPN-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299597;MM299597;CC=CC(C)C(=N)N(C)N;CNYDJELPWILNOS-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299598;MM299598;C#CC(=CF)C(F)C(=C)C;KSKUTABRISOUKJ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299599;MM299599;CN(N)C(=N)C(O)C=CF;VMHFDTPLZLXPRN-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299600;MM299600;C#CC(=NN)C(C)C(=C)C;IDDVSHWUJBDJCY-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299601;MM299601;CC(C=O)C(C)(C)C(N)=O;MEDPMPGHHLQLHG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299602;MM299602;C#CC(=NN)C(O)C(N)=O;DZVBJAUQGGEGBP-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299603;MM299603;C=C(CCC)CNC(C)=O;DMDGAZJPLBEZGI-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299604;MM299604;C=CCC(=O)C(=C)C(=O)O;QNTPPAPCFUBDJG-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299605;MM299605;CC=CC(C)C(=O)N(C)C;LOBCGNOFAJQMPS-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299606;MM299606;C#CC(=NN)C(O)C(=C)F;FTVSHRSCZFNUNM-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299607;MM299607;CC=CC(C)C(=O)N(C)N;KYLFXZXDDGEBRO-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299608;MM299608;O=CNN=c1[nH]c(=O)[nH]o1;RDGJIRKLLDUXDH-UHFFFAOYSA-N;144.09;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299609;MM299609;CC=CC(C)C(=O)N(C)O;HLJMWCYVPPIJNK-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299610;MM299610;C#CC(=CC)N(C)C(C)=N;FDIJVVPGUVEVAG-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299611;MM299611;CN(C)C(=O)C(O)C=CF;LQGYNGZLTZHJLR-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299612;MM299612;C#CC(=CF)N(C)C(C)=N;MCWKHRFVIOEHCB-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299613;MM299613;CC(CC=O)=NOC(C)C;HNAZWIJEOLKMJO-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299614;MM299614;C#CC(=CC)N(C)C(C)=O;ZOBIMUHGNCKUHO-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299615;MM299615;C=C(C(N)=O)C(C)C(C)F;MAEMFXCHSGENPN-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299616;MM299616;C#CC(=CC)N(C)C(=N)N;NOFTUGAKZAFPLT-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299617;MM299617;CC(C=NN)C(=N)N(C)O;OLQBFPOFDMEGAW-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299618;MM299618;C#CC(=CF)N(N)C(=N)N;DBXVSTPGBIRHRK-UHFFFAOYSA-N;142.14;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299619;MM299619;CC(C=NO)C(=N)N(C)O;UPPMGSFLEIYCIM-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299620;MM299620;C=C(F)C(C)=C(C)C(N)=O;LKZANYBFLSXDMN-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299621;MM299621;CN(C)C(=N)C(O)C=NN;QCYOJNWNTASAFP-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299622;MM299622;C#CC(=CC)N(O)C(N)=O;KCGXWDADXWOUJE-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299623;MM299623;CN(N)C(=N)C(O)C=NN;UNHQOHKXYSLIAS-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299624;MM299624;C#CC(=NN)N(C)C(=N)N;NPNYPBAQFJDJAY-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299625;MM299625;C#CC(CC=O)=NN(C)C;BQNGMCVCGBZDJO-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299626;MM299626;C#CC(=NC)N(O)C(=N)N;ZRENQXASJFQKMW-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299627;MM299627;C#CC(=CC(N)=O)CCC;IOAGFMUBLXIJKP-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299628;MM299628;C#CC(=NC)N(O)C(N)=O;WOCWDXHFEFPXPN-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299629;MM299629;CCn1nc(O)n(C)c1=O;JAMQIJOIDLXAJO-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299630;MM299630;C=C(C(=CC)CC)C(C)N;PAQZNBLUCBWOIT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299631;MM299631;CC=CN(C)C(=N)C(C)N;FFHNTIGBMVTHQD-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299632;MM299632;C=NNCCCNC(C)=O;SPNAHAXFDNZHGL-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299633;MM299633;CC(N)C(=N)N(C)C=CF;CUPHCOMZSUTPFJ-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299634;MM299634;C=C(C(=CC)CN)C(C)O;TVLDQEYDCJCRKR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299635;MM299635;N=C(C(F)F)N(N)C=CF;BQBITYWJPKYTGE-UHFFFAOYSA-N;153.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299636;MM299636;C=C(C(=CF)CN)C(C)F;QPTPEBFKFQYSMF-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299637;MM299637;CC=CN(C)C(=O)C(C)O;BOJNAUJBWIULAK-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299638;MM299638;CC=C(CO)C(=O)C(C)O;UJSIEUSCQWRRIE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299639;MM299639;NN(C=CF)C(=O)C(F)F;JHOOTIQGJWSAEZ-UHFFFAOYSA-N;154.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299640;MM299640;C=C(C(CN)=NO)C(C)C;AORDSRUPZQOLEQ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299641;MM299641;C=C(C)OCCCNC=O;JVWYIGPEUBICBA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299642;MM299642;C=C(C(CO)=NO)C(C)O;TZNIAWOZJIPFHH-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299643;MM299643;C=C(C(C)F)N(C)C=NC;CXSGHJAAQBZQBQ-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299644;MM299644;CONC(=O)C(C=O)C=O;MHOUFAAQNKWLNY-UHFFFAOYSA-N;145.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299645;MM299645;CC#CCNC=CC(N)=O;XRPZULJSOXYULH-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299646;MM299646;CON=CNC=CC(N)=O;APXDWNHGNUVEOZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299647;MM299647;C=C(C(C)F)N(O)C=NO;YDRJCVGZDCEKRU-UHFFFAOYSA-N;148.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299648;MM299648;CCNC(=O)C=CCCO;FAPMNJYPWKJHOW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299649;MM299649;CN=CN(C)C(=N)C(C)N;UYSUTONCFHIPOC-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299650;MM299650;C=CCC(=O)C=CNN=C;JWKRMXWORHHZKP-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299651;MM299651;CN=CN(N)C(=N)C(C)C;RFTOSGBBHRCTNZ-UHFFFAOYSA-N;142.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299652;MM299652;C#CC(=CC)C(=C)C(N)=O;ZBVSTGGBWIKRLK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299653;MM299653;CC#CC(C)CCNC=O;DBLNFCYZSXMXNI-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299654;MM299654;CCCC(C)=NNCC=O;LFXJVJTTYBXNTC-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299655;MM299655;COC(=CN)C(=O)C(C)O;XNLDQPDTCIOILZ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299656;MM299656;CCCON=C(C)CC=O;XAMPIWLHDHWWEE-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299657;MM299657;COC(=CF)C(=O)C(C)O;RLWRIYYSVVPWPM-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299658;MM299658;CN=CN(N)C(=N)C(F)F;XHMGHMQNQODZPF-UHFFFAOYSA-N;150.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299659;MM299659;CC(F)C(=O)N(C)N=CN;PRSYSYXGEUAVSQ-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299660;MM299660;CC(CC=O)=NOCCF;TYZUSQBGRZRRFC-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299661;MM299661;C=CC(C)(OC)C(=O)O;VKIJOIHEOUOGHT-UHFFFAOYSA-N;130.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299662;MM299662;C=NN=C(C)N(C)CC=O;XQQVJQRMSRRAET-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299663;MM299663;CN(C)C(=N)C(=CN)CN;SNUSFYDESCSOHA-UHFFFAOYSA-N;142.21;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299664;MM299664;CC(O)C(=O)N(C)C=NN;RBVXNLRESDKIRG-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299665;MM299665;CN(C)C(=N)C(=CF)CO;HFFDTLFHCKGWCO-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299666;MM299666;CC(O)C(=O)N(C)C=NO;RYSZTUPKYAAWCI-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299667;MM299667;CN(C)C(=N)C(=CN)CF;LQQCGVKYSRPDFL-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299668;MM299668;C#CC(C=C)C(=C)C(N)=O;BUFSFMOZTAUHBD-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299669;MM299669;CN(C)C(=N)C(=CF)CF;XXVRZPRACVGJAC-UHFFFAOYSA-N;148.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299670;MM299670;CC(O)C(=O)N(N)C=NO;XCROBMPXBAQTFJ-UHFFFAOYSA-N;147.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299671;MM299671;CN(N)C(=N)C(=CN)CF;CMFNOPYRNYCTOQ-UHFFFAOYSA-N;146.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299672;MM299672;CCC=C(CCF)C(N)=O;YCPGOBCRIVWMAP-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299673;MM299673;CN(O)C(=N)C(=CN)CN;KRXDMTGZHAYCQX-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299674;MM299674;CN=CN(N)C(=O)C(F)F;SRWQNRODPWCNIA-UHFFFAOYSA-N;151.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299675;MM299675;CN(O)C(=N)C(=CN)CO;KFTZZTMJOGYFIE-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299676;MM299676;CC=NN(C)C(=N)C(C)F;IDQQXRYBGQFUSB-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299677;MM299677;CC=C(CC)C(=O)N(C)C;CYQVXAHWTVSUCQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299678;MM299678;CN(C=NC=N)C(=O)CF;MKEAASZMWOANJX-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299679;MM299679;CN(C)C(=O)C(=CN)CO;LZFVMMNTWQXHSE-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299680;MM299680;CC=CN(C)C(=N)N(C)C;MFFMKFCYLQSTTK-UHFFFAOYSA-N;141.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299681;MM299681;CN(C)C(=O)C(=CF)CO;CFWMPESXRROFSQ-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299682;MM299682;CN(C)C(=N)N(C)C=CF;WSJTXDLNUHPRQR-UHFFFAOYSA-N;145.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299683;MM299683;C=NOC(C=CF)CC=O;YDQUZLQDPMENNQ-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299684;MM299684;CN(N)C(=N)N(N)C=CF;DFXOROWPXPGHON-UHFFFAOYSA-N;147.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299685;MM299685;CC=C(CC)C(=O)N(C)N;CWEUBUAHRDYNTJ-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299686;MM299686;CN(O)C(=N)N(N)C=CF;YBUFQWUAFKEOTJ-UHFFFAOYSA-N;148.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299687;MM299687;CN=C(N)C(=O)C(F)CF;BJGPJFXRECECSK-UHFFFAOYSA-N;150.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299688;MM299688;CN(C)C(=N)N(O)C=CF;LEGOQIJYRCMVJP-UHFFFAOYSA-N;147.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299689;MM299689;CCC(=CF)C(=O)N(C)N;BGDIROMRUYKPBJ-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299690;MM299690;CN(N)C(=N)N(O)C=CF;GIKZWBPKLPUBAB-UHFFFAOYSA-N;148.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299691;MM299691;CON=C(C=O)NCC=O;KBGNCXDXZAFWGK-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299692;MM299692;CC=CN(C)C(=O)N(C)C;NBYHJFOVLVOHRT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299693;MM299693;CC=C(CC)C(=O)N(C)O;KKLCDVVAWIOLIC-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299694;MM299694;CN(C)C(=O)N(C)C=CF;HUOIKYJEVQUAMN-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299695;MM299695;CCC(=CN)C(=O)N(C)O;HILRXFWFYAWEJR-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299696;MM299696;CC=CN(C)C(=O)N(C)O;CLOVKHIVMDAWIO-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299697;MM299697;CCC(=CF)C(=O)N(C)O;LYVDIUZXTZCEGV-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299698;MM299698;CN(N)C(=O)N(N)C=CF;LFSGTVSFKVPQKH-UHFFFAOYSA-N;148.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299699;MM299699;C#CC(C#N)ON=CCF;OSHYVIUYRPJOBZ-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299700;MM299700;CC=CN(O)C(=O)N(C)C;XBKVGXLOPBXONA-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299701;MM299701;C#CC(C#N)ON=CC=C;IFLZZNOTXMLSQS-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299702;MM299702;CN=CN(C)C(=N)N(C)C;RXVRRPZRBRFSFK-UHFFFAOYSA-N;142.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299703;MM299703;CC(C)c1c[nH]c(N=N)c1;CAADFFQCADLWLJ-UHFFFAOYSA-N;137.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299704;MM299704;CN(N)C(=N)N(C)C=NN;BYVNBGNIYXQPSG-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299705;MM299705;C=NN=C1C=CN(CC)C1;HMAPHZUKHPPAFE-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299706;MM299706;CN(N)C(=N)N(C)C=NO;ZQLAXANYTHDQCQ-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299707;MM299707;CCCc1cc(NC)n[nH]1;GXEYKDGZANNIJM-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299708;MM299708;CN=CN(C)C(=N)N(C)O;MEKFMOFOLVGDRQ-UHFFFAOYSA-N;144.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299709;MM299709;CCC(=NO)C(=O)N(C)C;RJKJMTYCSCDETA-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299710;MM299710;CN(O)C(=N)N(C)C=NN;FXEODGNSAIAYML-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299711;MM299711;COn1onc(NN)c1=O;JLKXJQLAWZCVNM-UHFFFAOYSA-N;146.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299712;MM299712;CN(C)C(=N)N(N)C=NN;UMQHHQNSHWLWKP-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299713;MM299713;CC#CC1CC1CNC=O;OKDWMYHLRCSYFC-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299714;MM299714;CN(C)C(=N)N(N)C=NO;PLXPMKRWSBIXEN-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299715;MM299715;CC(CF)CC(O)C(=O)O;FUXVCWMPWWTNJZ-UHFFFAOYSA-N;150.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299716;MM299716;CN=CN(N)C(=N)N(C)N;XFVRHMXXYWGQBM-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299717;MM299717;CN=C(NO)C(=N)N(C)C;UGDKTZZDXGFKDD-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299718;MM299718;CN(N)C(=N)N(N)C=NN;NPQBZRZGCLIKSD-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299719;MM299719;CC=CC#CCCNC=O;KZDXSRMAPQDWPV-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299720;MM299720;CN(N)C(=N)N(N)C=NO;UEGAMKURANRUNW-UHFFFAOYSA-N;146.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299721;MM299721;Nc1c2ncnc-2[nH]n1N;UTQBADFOABVTSO-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299722;MM299722;CN(O)C(=N)N(N)C=NN;PQOCDVGKOBAKBL-UHFFFAOYSA-N;146.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299723;MM299723;CC=C(OC)C(=N)N(C)C;OEZXETDHUYJYDD-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299724;MM299724;CN(C)C(=N)N(O)C=NN;PKLLISSNFMMCBL-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299725;MM299725;COC(=CN)C(=N)N(C)O;QRCUNUACINLBMX-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299726;MM299726;CN(C)C(=N)N(O)C=NO;ZBSDAAIDVVOFST-UHFFFAOYSA-N;146.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299727;MM299727;CC=C(OC)C(=O)N(C)C;OGVFKVJNCMUUDK-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299728;MM299728;CN=CN(O)C(=N)N(C)N;WZSICNZQASSVCR-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299729;MM299729;CC=C(OC)C(=O)N(C)N;UMZNEDAIQODDJR-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299730;MM299730;CN(N)C(=N)N(O)C=NN;GSFXNNACTUREBI-UHFFFAOYSA-N;146.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299731;MM299731;Cn1ncc(NN)n1;CTXCVASYYPJDOY-UHFFFAOYSA-N;113.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299732;MM299732;C=CC(C)C=NNCC=O;PQDNVLIKIQRCHL-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299733;MM299733;CC(C)(CF)CNC=O;SFQPHJJUAVFUQT-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299734;MM299734;CN(C)C(=O)N(C)C=NO;QLKLSACTXUGWLI-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299735;MM299735;NC(=O)C=CNCC=O;OUPCMVQPYPWGEL-UHFFFAOYSA-N;128.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299736;MM299736;CN=CN(C)C(=O)N(C)N;DZOJCLLMSKBFMA-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299737;MM299737;COC(=NO)C(=O)N(C)C;HRGNOSCYKXFVPB-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299738;MM299738;CN=CN(C)C(=O)N(C)O;HJEYZIHOBRAZMR-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299739;MM299739;C=CC(=CC)C(=C)C(C)C;XPRAROWOPSGYSF-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299740;MM299740;CN=CN(N)C(=O)N(C)C;ZUMIAOLMPCPKDF-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299741;MM299741;C=C(C(C#N)=CC)C(C)C;DAEIWEKHJNKGKJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299742;MM299742;CN=CN(N)C(=O)N(C)N;WSUQZLIADJUHRT-UHFFFAOYSA-N;145.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299743;MM299743;C=C(C(C#N)=CN)C(C)C;ZZNKIHRAEGKEOZ-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299744;MM299744;C=NNC(C#N)=NN=CC;RKTGFQYCJAKTIJ-UHFFFAOYSA-N;137.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299745;MM299745;C=CC(=CC)C(=C)C(C)N;GXBMPCXWDDWZHU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299746;MM299746;CN(N)C(=O)N(N)C=NO;UYSOVMGFOBIYSY-UHFFFAOYSA-N;147.14;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299747;MM299747;C=C(C(C=O)=CC)C(C)O;ZROXVVHDSBSHIM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299748;MM299748;CN=CN(N)C(=O)N(C)O;IIFJKVCYMRKMRI-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299749;MM299749;C=C(C(C#N)=CC)C(C)O;PSQQPSXRBNXFHA-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299750;MM299750;CN=CN(O)C(=O)N(C)C;ZMIVLXMSASVQJR-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299751;MM299751;CON=CC=CC(N)=O;QDUJNIWKRZOOOU-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299752;MM299752;CN=CN(O)C(=O)N(C)N;ZCGRTGXGIUPNKJ-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299753;MM299753;C=C(C(C#N)=CF)C(C)O;YPPIEFKANQNAPD-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299754;MM299754;C=C(C(C)=O)C(C)C=CC;IBPNWGJBBKNLHV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299755;MM299755;C=C(C(C#N)=CC)C(C)F;ITEQRURPIICJKA-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299756;MM299756;C=C(C(C)=O)C(C)C=CF;NWYAKRMAFDMNLM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299757;MM299757;C=CC(=CC)C(=O)C(C)C;RRISKMVCJXLZKN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299758;MM299758;C=C(C(=N)N)C(C)C=CC;VRVXEQFHCDTHTC-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299759;MM299759;CC(O)C(=O)C(C=O)=CN;UORADQLKIRWRRJ-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299760;MM299760;C=C(C(=N)N)C(C)C=CF;GLRXOUIHYNWJQW-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299761;MM299761;CC(F)C(=O)C(C=O)=CN;MRTZBNGJPHHWBL-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299762;MM299762;C#CC1CC1C(C)C(N)=O;JTUXMMKEPXDAQZ-UHFFFAOYSA-N;137.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299763;MM299763;C=CC(=CN)C(=O)C(F)F;CCAJZDNEPVKKNY-UHFFFAOYSA-N;147.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299764;MM299764;C=CC(CCNC=O)OC;WEZWCIKCQGTOBM-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299765;MM299765;C#CC1=NC(C)C(=N)N1;XYRFFVZYWYHAKC-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299766;MM299766;C=C(F)C(=C)C(C)C=CC;LDQFKROKWPTHCH-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299767;MM299767;CCCC(=O)NC1CC1;RIORBKZTLFEWDG-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299768;MM299768;C=C(C(=N)N)C(N)C=CC;ZFTREXKIJHXFCT-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299769;MM299769;C=C(C(C=O)=NO)C(C)O;GARVAOPZWQHXBR-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299770;MM299770;C=C(C(=N)N)C(O)C=CF;SLHDAROMOVAIKP-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299771;MM299771;C#CC(O)C(C=C)C(=O)O;DDHZMOWQDKHJFP-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299772;MM299772;C=C(C)C(=O)C(C)C=CF;YFNOYMFFRNETOG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299773;MM299773;C=CC(=CN)C(=N)N(C)O;MUQSQFPBAZKXSG-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299774;MM299774;C=C(F)C(=O)C(C)C=CF;UXICIDCERFRYCD-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299775;MM299775;C#CC1NC1CC(N)=O;FZSNLSKTRSFBLH-UHFFFAOYSA-N;124.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299776;MM299776;COC=C(C)OCC(=O)O;VNAOMPVZFWXKLQ-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299777;MM299777;N#CC1=NCC(C=O)N1;RGBLROXVHSJSDW-UHFFFAOYSA-N;123.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299778;MM299778;CC=CC(F)C(=O)C(N)=O;HUGCSQLRIJDHHX-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299779;MM299779;C=CC(=CC)C(=O)N(C)N;BSMHVMCBGOZFGB-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299780;MM299780;C=C(C(=N)N)C(C)C=NN;VDEJHGCYLLGFBX-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299781;MM299781;C=CC(=CC)C(=O)N(C)O;DQECUWMNSAGMPX-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299782;MM299782;C=CC1(C(C)NC=O)CC1;ZKWPUDPQTYGMTA-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299783;MM299783;C=CC(=NO)C(=N)N(C)C;UTPIBPNWLLIPKY-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299784;MM299784;C=CC12CC(=O)C(=O)C1N2;BTZNYXIUZCOSKY-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299785;MM299785;CC(C)C(C)(F)CNC=O;NMGGXBIIRCDSNG-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299786;MM299786;CC(=O)C(=O)C(C)C=NO;BBCGVFKYPKUJCA-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299787;MM299787;CN(O)C(=N)C(C=O)=NO;KYBYBYDVJRJDQD-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299788;MM299788;C=C(F)C(=O)C(C)C=NO;RIAWUEXHHBFWOA-UHFFFAOYSA-N;145.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299789;MM299789;CC=C(F)C=C(C)C(N)=O;OSEFQQSIVUJSFB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299790;MM299790;COC(C)=COCC(=O)O;BNELWCSWWPRSPE-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299791;MM299791;CN(C)C(=O)C(C=O)=NO;XIECZDWCHWQIOZ-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299792;MM299792;CCOC=COCC(=O)O;SWSMWYNLSGDKHF-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299793;MM299793;O=C(O)CC1C(O)C1F;WFBFGADDPQLYFV-UHFFFAOYSA-N;134.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299794;MM299794;C=COC(C)OCC(=O)O;MKKRYUIFDRUQHB-UHFFFAOYSA-N;146.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299795;MM299795;C#CC(=CC)C(=C)C(C)C;WLHFJQRGABPSBG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299796;MM299796;C=C(C)OCOCC(=O)O;YNELPRWMNPFPJM-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299797;MM299797;C#CC(=CF)C(=C)C(C)C;NNLYLBCCNDOARO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299798;MM299798;C=C(C)C(=N)N(C)C=CF;LWGIPANXNOQPFV-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299799;MM299799;C#CC(=CC)C(=C)C(C)N;ZMQCENVZUSHUQV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299800;MM299800;C=CCOCCCNC=O;WEYLDMJKIRCGDE-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299801;MM299801;C#CC(=CF)C(=C)C(C)N;ZXNSDTZWRQQRDN-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299802;MM299802;CN(C=CF)C(=N)C(=N)N;FSQHZMOUCOIRST-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299803;MM299803;C=CC1(C)CC1NC(C)=O;QJSIOCDWFMJUHM-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299804;MM299804;CCC#CCCCNC=O;FJQSUBRDAHPIEI-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299805;MM299805;C#CC(=CF)C(=C)C(C)O;MFMVDZNDHJDNKI-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299806;MM299806;CC=COCOCC(=O)O;AVHRNRZLSLLLPX-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299807;MM299807;N=C(N)C(=N)N(N)C=CF;PIIZNRSGXTXJIP-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299808;MM299808;C#CC(=CC)C(=C)C(C)F;TVDWEVPRYXUWJG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299809;MM299809;C=NNCC=NNCC=O;DBBGJTWLZJWCQM-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299810;MM299810;C#CC(=CF)C(=C)C(C)F;VQQZYUFNLAOVCA-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299811;MM299811;N=C(N)C(=N)N(O)C=CF;BBYTVGYXTDJIPG-UHFFFAOYSA-N;146.13;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299812;MM299812;C#CC(=CN)C(=O)C(C)F;KMDUQUMKXFPNHM-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299813;MM299813;Cn1[nH]c2ncnc-2c1N;HODHYESHWHBEAR-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299814;MM299814;C#CC(=CF)C(=N)N(C)C;RIOWBORDDBULNI-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299815;MM299815;CCOC(C)C(O)C(=O)O;DJQOLVAOGRCCJT-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299816;MM299816;C#CC(=CC)C(=O)N(C)C;RGZTTXNYMWMEDZ-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299817;MM299817;C=C(C(=N)N)N(C)C=NC;NLAUYDNLGPSBSF-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299818;MM299818;C#CC(=CF)C(=O)N(C)C;MFQOLCYHCUWUGN-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299819;MM299819;C=C(C(=N)N)N(C)C=NN;YEQQFVDQEVUCLG-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299820;MM299820;C#CC(=CC)C(=O)N(C)O;CERCAHCGCWJHCQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299821;MM299821;C=C(C(=N)N)N(C)C=NO;BBPMRDSRLWTLEC-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299822;MM299822;C=C(C)C(=C)C(=CC)CC;PPHUPALWDNBHLP-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299823;MM299823;Cc1nc(N)oc1N;DVKAWWKYBHVNHP-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299824;MM299824;C=C(C)C(=C)C(=CC)CN;FDQWOEWJVOLBFH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299825;MM299825;CCC=NNCC=O;DIHWKIMEPPOGHL-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299826;MM299826;C=C(C)C(=C)C(=CF)CN;KIZLGCUZNYLKMF-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299827;MM299827;C=C(C(=N)N)N(N)C=NN;ZSRRTMCFLWBBSY-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299828;MM299828;CC(=O)NCCCC=NN;PZELLEPDHUIXOJ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299829;MM299829;C=C(C(=N)N)N(N)C=NO;VWZGTCWMYICUPN-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299830;MM299830;C=C(C(C)=O)C(=CC)CC;MBFCSKJNMHALKA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299831;MM299831;CC=CC(C)(C)NC=O;PALRRXWDASKJOL-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299832;MM299832;C=C(C(=N)N)C(=CC)CC;TXLNXRSXBPUCLD-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299833;MM299833;C=CC(C)(C)C(=O)NC;XASGVUKKCGCSAE-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299834;MM299834;C=C(C(=N)N)C(=CC)CN;MVCVYWZQEZLGBV-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299835;MM299835;CCC(N)=CC(=O)NC;WCXHRPZUGHWKAQ-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299836;MM299836;C=C(C(N)=O)C(=CC)CN;PUHYGXIQSSUTBV-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299837;MM299837;C=C(C(=N)N)N(O)C=NN;AXUWWRKMAQFDPW-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299838;MM299838;C=C(C(N)=O)C(=CF)CO;NLHNXPWKSVHDGE-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299839;MM299839;CC(C)C=NNCC=O;AXYFHNFOABNABA-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299840;MM299840;C=C(F)C(=C)C(=CC)CO;PEUIBPUZUGVOJI-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299841;MM299841;C=C(COCC(=O)O)OC;FCARWMRCBZUFRP-UHFFFAOYSA-N;146.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299842;MM299842;CCC(=CF)C(=O)C(C)=O;GBQFOCNNHWBMGN-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299843;MM299843;Nc1cn(O)c(N)c1N;QTUQEEDNXFFJNT-UHFFFAOYSA-N;128.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299844;MM299844;CC(=O)C(=O)C(=CF)CF;WFXRINCWEZEHNJ-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299845;MM299845;C=C(F)C(=C)N(O)C=NO;XTSNRDIVHOWPGD-UHFFFAOYSA-N;146.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299846;MM299846;COCC=CC(C)NC=O;OEEWTRXZZUSAPO-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299847;MM299847;CN=CN(C)C(=N)C(=N)N;HCHVPWICACNEGG-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299848;MM299848;CNN=C(N)C(F)CC=O;IGMNEXOFUMQNMP-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299849;MM299849;CN(C=NN)C(=N)C(=N)N;VVSSXCPZAQZLBA-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299850;MM299850;CC=C(CC)C(=O)C(N)=O;ZWKRKDGGLPEMGP-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299851;MM299851;CN(C=NO)C(=N)C(=N)N;CQBZMUAGSRYUOP-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299852;MM299852;CCC(=CF)C(=O)C(N)=O;QLOAJZGQAKAWIG-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299853;MM299853;CN(C=NO)C(=N)C(N)=O;XZHMWNOXXRLNFD-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299854;MM299854;CC=C(CO)C(=O)C(N)=O;IRQIQDAIUWGQDA-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299855;MM299855;C=COCCOCC(=O)O;PLAUVFVEGBZXMH-UHFFFAOYSA-N;146.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299856;MM299856;NC=C(CF)C(=O)C(N)=O;SALOAVSFKSRSFV-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299857;MM299857;CC1CN1C(C)C(N)=O;ZDDKZWREKXWXEU-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299858;MM299858;NC(=O)C(=O)C(=CF)CF;BFANYKJBNDZEFO-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299859;MM299859;CN=CN(N)C(=N)C(=N)N;IALPKSFZLIRKKU-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299860;MM299860;O=CC(CO)CC(=O)O;UQAQJBVGXAQFBO-UHFFFAOYSA-N;132.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299861;MM299861;N=C(N)C(=N)N(N)C=NN;QEOFGZZDTPIGDV-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299862;MM299862;CC=Cc1noc(O)n1;AJRWWDJBABMLCH-UHFFFAOYSA-N;126.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299863;MM299863;N=C(N)C(=N)N(N)C=NO;IKZVHBQJWXMSCN-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299864;MM299864;C=C(F)C(=O)C(=CF)CO;ZXYHWQYOLGJDMQ-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299865;MM299865;O=CNCCCCCO;NKOOYQTUIYQLHY-UHFFFAOYSA-N;131.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299866;MM299866;C=C(COCOC)C(N)=O;YEPWAMCHTLGFCY-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299867;MM299867;CCCC=NNCC=O;JRSKAUKDVOZXMQ-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299868;MM299868;C=C(C(C)=O)C(CC)=NO;BMEFVERKIMDJEX-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299869;MM299869;C=CCC=NNCC=O;LXHKHOMBYQCXDO-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299870;MM299870;C=Cc1noc(O)n1;USWHHEHQZJHOIJ-UHFFFAOYSA-N;112.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299871;MM299871;C#CC1(O)C(C)C1C(=O)O;UNNYLIPGNXCWLF-UHFFFAOYSA-N;140.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299872;MM299872;CNN=C(C)C(=O)O;XTHGUOLIAUGFIS-UHFFFAOYSA-N;116.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299873;MM299873;CN=CN(O)C(=N)C(=N)N;RRJZRFJURTVTEF-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299874;MM299874;C=C(C)C(=O)C(CC)=NO;MKFLKPAXVHHFIY-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299875;MM299875;N=C(N)C(=N)N(O)C=NN;DDRNPEFHOUIXNO-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299876;MM299876;C=C(C(=N)N)C(=NC)NN;GAUHJVSJDQLHOM-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299877;MM299877;N=C(N)C(=N)N(O)C=NO;QDCHKJWWPXTPAL-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299878;MM299878;C=C(C(=N)N)C(=NC)NO;YMTNZRXDOLGMSY-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299879;MM299879;CC(=O)NC(C)(C)C(C)C;FVBRPWWQGNBUFD-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299880;MM299880;CCC(F)(CC)CNC=O;JBYJCDDYEWFDRE-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299881;MM299881;CC(C)=CC(=O)NC(C)C;BXOVSSXXNBDBGY-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299882;MM299882;C#CC1C(=O)C(C)(C)N1C;GLEFNAPFCZHIQB-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299883;MM299883;N=C(C(N)=O)N(O)C=NO;UDPXUUFLTGZGLB-UHFFFAOYSA-N;146.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299884;MM299884;N#CC(=O)CC1(C#N)CN1;YYXYYQFQAHCMCA-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299885;MM299885;CONC(=O)C1(O)CC1;UQNXQEBVCTWYFP-UHFFFAOYSA-N;131.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299886;MM299886;C=C(C=COC)CNC=O;HPZFFIVHOWIYMK-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299887;MM299887;C=C(F)C(=N)N(O)C=NO;XKBHIGUXNJZGAV-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299888;MM299888;NN=c1c(F)c(O)on1O;QBXNTTCWYOJAMI-UHFFFAOYSA-N;149.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299889;MM299889;C=C(C)C(=O)N(C)C=NO;LEAGAKGUOUQCAW-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299890;MM299890;C=C(C(=N)N)C(=CF)OC;BNJSLWWEBYUJJH-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299891;MM299891;CN(C=NN)C(=O)C(N)=O;GBLDJMZAHMSYQP-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299892;MM299892;CN(C=NO)C(=O)C(N)=O;OALWVYMRHNPEDU-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299893;MM299893;C=C(CNC=O)C(=C)OC;JIVZLFLOTWPAAY-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299894;MM299894;CC(C)C(O)C(O)C(=O)O;IWXFIKFCUPXJLW-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299895;MM299895;C=C(F)C(=C)C(=CC)OC;JDHKPZJPMWWAFY-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299896;MM299896;C=C(C)C(=O)N(N)C=NC;KYEBZEPTHYSQHC-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299897;MM299897;C=C(C)C(=O)C(=CN)OC;ZWKVQWNBEFFLLS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299898;MM299898;CN=CN(N)C(=O)C(=N)N;WLUFOVPVCFAESX-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299899;MM299899;COc1n[nH]c(O)c1C;JFFBWCMBGJFIAX-UHFFFAOYSA-N;128.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299900;MM299900;CC(C)(C)C=NNCC=O;CHMVWTMVHVQVQX-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299901;MM299901;C=C(F)C(=O)C(=CN)OC;WDNOTPVUFMFYTF-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299902;MM299902;CC(=O)NCC=CC(C)C;WEKKONRUCWCYML-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299903;MM299903;C=COCC=CC(=O)NC;QJYAAPXEXYEEJN-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299904;MM299904;C=C(C=O)CC(C)C(N)=O;WXEDOOZCXCEGDP-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299905;MM299905;CC#CCC=CC(=O)NC;BECANPCVJYIWTQ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299906;MM299906;NN=CN(N)C(=O)C(N)=O;JGWLLOFIUOAGME-UHFFFAOYSA-N;145.12;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299907;MM299907;C=CC(=CC)C(=C)C(=C)C;XGOFYXVGNJPNGQ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299908;MM299908;NC(=O)C(=O)N(N)C=NO;KZPFVQJHUZCOQT-UHFFFAOYSA-N;146.11;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299909;MM299909;C=C(C)C(=C)C(C=O)=CC;VNKWKJJVUVMCAB-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299910;MM299910;CCC(C)(O)C(O)C(=O)O;PDGXJDXVGMHUIR-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299911;MM299911;C=C(C)C(=C)C(C#N)=CC;PQVKKFRWPCMZPV-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299912;MM299912;CCCC(O)C(O)C(=O)O;AYVUEVAZCRPYAP-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299913;MM299913;C=C(C)C(=C)C(C#N)=CF;PSTXOEICZYXRHJ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299914;MM299914;C=C(CC(F)CC)C(N)=O;WAFGBLSKOUTAFA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299915;MM299915;C=CC(=CC)C(=C)C(C)=O;OIGYTGPAAXXKPC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299916;MM299916;C=C(F)C(=O)N(N)C=NO;YESNBLIFRACKPV-UHFFFAOYSA-N;147.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299917;MM299917;C=C(C(C)=O)C(C=O)=CC;ORHIDRBITLSFOI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299918;MM299918;C=C(F)C(=N)N(C)N=CC;AVODFPSAEQYOGA-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299919;MM299919;C=C(C(C)=O)C(C=O)=CN;XIUXNFAVWJFZCD-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299920;MM299920;C=C(C(=O)C=CC)C(C)C;LRDIHNVORHSIJR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299921;MM299921;C=C(C(=N)N)C(C#N)=CC;MEJVBPSVVGMELS-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299922;MM299922;C=C(C(=O)C=CN)C(C)O;IMAZAUODEYUIPY-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299923;MM299923;C=C(C(=N)N)C(C=O)=CN;ICYBZHPTINRMSG-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299924;MM299924;C=C(C(=O)C=CF)C(C)F;YPLDLPRCPOMYKO-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299925;MM299925;CNC(=O)C=CC=COC;ZEEBADHETCIEDR-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299926;MM299926;C=C(C=CC)C(=O)C(C)C;KFDAOWQGGFZHGL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299927;MM299927;C=C(C(N)=O)C(C#N)=CF;OVBMFXVWNWLYIG-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299928;MM299928;NC=CC(=O)C(=O)C(F)F;GKTSGUAJXYJSAF-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299929;MM299929;C=C(C(=O)O)C(C#N)=CF;DPLPKIOIHJXFEV-UHFFFAOYSA-N;141.1;1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299930;MM299930;O=C(C=CF)C(=O)C(F)F;HTRBDDKDSSWOPX-UHFFFAOYSA-N;152.07;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299931;MM299931;C=CC(=CC)C(=O)C(C)=O;XKGDWEFCYQHWSI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299932;MM299932;C=C(C=CF)C(=N)N(C)O;KVDTVVFUNZXANQ-UHFFFAOYSA-N;144.15;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299933;MM299933;C=CC(=CF)C(=O)C(C)=O;JEFWXCAFLAGVLJ-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299934;MM299934;CC(=CCC(C)F)C(N)=O;IUMSPCIJFRIGKO-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299935;MM299935;CC(=O)C(=O)C(C#N)=CF;OKICPZHDLQLIQS-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299936;MM299936;CCCC=CCNC(C)=O;YQFYMQHINOXSHS-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299937;MM299937;CNC(=NOC)C(=O)CF;YAWAWKULYBHYAH-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299938;MM299938;C=C(C=CC)C(=O)N(C)C;VBPRKBHHVRIKHU-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299939;MM299939;CC=NNC(C=O)CC#N;RZLUDGDLNNROTR-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299940;MM299940;CN(C)C(=O)C(=O)C=CN;LBTMMKQEFOAOBU-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299941;MM299941;C=CC(=CN)C(=O)C(N)=O;SCYBKIXGLKCUTQ-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299942;MM299942;C=C(C=NN)C(=O)N(C)C;YRRTWAVJYLVLIE-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299943;MM299943;N#CC(=CF)C(=O)C(=O)O;UEXUFCDCPJGGKP-UHFFFAOYSA-N;143.07;0.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299944;MM299944;C=C(C=CF)C(=C)C(C)=O;LFIGXUQDCWURGU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299945;MM299945;C=C(F)C(=O)C(C#N)=CN;OOZAZJYBVXMRFW-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299946;MM299946;C=C(C(=N)N)C(=O)C=CN;DQTAECGDVWDWIU-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299947;MM299947;C=CC(=NN)C(=C)C(=C)C;DZGIFNVAGJKHIV-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299948;MM299948;CC(F)CC=NNCC=O;MXTBCAGYRVHFQC-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299949;MM299949;C=C(C=CC)C(=O)C(C)=O;KFMSNTDETUHJSJ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299950;MM299950;C=CC(=NO)C(=C)C(C)=O;BQEDKVKICWFPAD-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299951;MM299951;CC=CC(=O)C(=O)C(C)=O;YDMJYCUBTRYCMS-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299952;MM299952;C=CC(=NN)C(=C)C(=N)N;BSVSUZUKUWMOFB-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299953;MM299953;C=C(C)CC=NNCC=O;BDDWGIFGLDBUIQ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299954;MM299954;C=CC(=NO)C(=C)C(=N)N;FUMNHPHUSGYTKF-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299955;MM299955;CC=CC(=O)C(=O)C(N)=O;OLXQTQWOKAMMBK-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299956;MM299956;CC1=C(C#N)N=CC1=CO;BQLPDQKJSPRTQX-UHFFFAOYSA-N;134.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299957;MM299957;NC(=O)C(=O)C(=O)C=CF;WUQMYMGSKNLLEB-UHFFFAOYSA-N;145.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299958;MM299958;C=C(C)C(=O)C(C=O)=NO;XPRCBFQDVYKXOW-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299959;MM299959;C=C(C=NO)C(=C)C(N)=O;IKGYAUOZSQNXJO-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299960;MM299960;NN=c1[nH]c(O)c(F)o1;NYKUHBDIAHRUEV-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299961;MM299961;C=NOC(C)=NOCC=O;OUJNDAYAUONCKK-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299962;MM299962;C#CC(=CC)C(=C)C(=C)C;WJRKLDZAPATFRI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299963;MM299963;CC#CC(C)C(C)C(C)C;ILHCCWKUIYHJGU-UHFFFAOYSA-N;138.25;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299964;MM299964;C#CC(=CF)C(=C)C(=C)C;MTDYDXWLLMCUSB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299965;MM299965;CC#CC(C)C(C)C(C)N;XBVUAWJFGNTUJL-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299966;MM299966;C#CC(=CC)C(=C)C(C)=O;XMIGCXLGVBOYCT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299967;MM299967;C=CC(CF)C(C)C(N)=O;LPLLTENYZSWUKI-UHFFFAOYSA-N;145.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299968;MM299968;C#CC(=CC)C(=C)C(=N)N;YGWJUCFGIWSQKU-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299969;MM299969;CC=C(CNC=O)OCC;CBTKAIALUKTWRN-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299970;MM299970;CC#CC(N)C(C)C(C)F;QLJHOGSFDPFAFK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299971;MM299971;C#CC(=CC)C(=C)C(=O)O;KNSJUAGIOQOYOO-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299972;MM299972;CC#CC(O)C(C)C(C)C;OXFGHDRPCSDUBM-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299973;MM299973;C#CC(=CF)C(=C)C(=O)O;XRAOAHMBFGFHFN-UHFFFAOYSA-N;140.11;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299974;MM299974;CC#CC(O)C(C)C(C)O;ASUSKROZHVOKSE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299975;MM299975;C#CC(=CC)C(=C)C(=C)F;WKBXDIWNYRWJDE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299976;MM299976;CC#CC(C)C(N)C(C)C;AWDUGURZPHWUGH-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299977;MM299977;C#CC(=CF)C(=O)C(=N)N;UOFWDMFOVWDCJZ-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299978;MM299978;CC#CC(C)C(N)C(C)F;KLVBJLNJVWVUHH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299979;MM299979;C#CC(=CC)C(=O)C(N)=O;FCPPJSXGKYKBFL-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299980;MM299980;CC#CC(O)C(N)C(C)C;XMDQNMKXWZAYFQ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299981;MM299981;C#CC(=CN)C(=O)C(N)=O;SDMPRQIYIAUHSN-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299982;MM299982;CC#CC(O)C(N)C(C)O;CCIIVBBUKHWOIC-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299983;MM299983;C#CC(=CN)C(=O)C(=C)F;HQCGEWMLDPXNMD-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299984;MM299984;C=C(C(N)=O)C(C)CCF;CHNYUYTUBYRZMW-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299985;MM299985;C#CC(=NN)C(=C)C(=C)C;BGFWFOQVRBSZGW-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299986;MM299986;CC#CC(C)C(O)C(C)O;NHVJCUHSNAWXCA-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299987;MM299987;C#CC(=NO)C(=C)C(C)=O;GAENQJZTSAFFLU-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299988;MM299988;CC#CC(O)C(O)C(C)N;FSEXTPFHUZDYBC-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299989;MM299989;CCC(CC)C(C)=C(C)C;JWNUYJHDSXAUFW-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299990;MM299990;CC#CC(F)C(O)C(C)N;DDRJDOCMZQZPMI-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299991;MM299991;CC(C)=C(C)C(CF)CF;OFTMAAZFDPDZMK-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299992;MM299992;CC#CC(C)C(C)N(C)C;RSZUDKZNEXMVCE-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299993;MM299993;CC(F)=C(C)C(CN)CN;QXZCACMDDORPLT-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299994;MM299994;CC#CC(O)C(C)N(C)C;FXDGRDXDWIHQCX-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299995;MM299995;CC(F)=C(C)C(CN)CO;IMRQFQGXCHNXJB-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299996;MM299996;C=C(C)C(C)C(C)C#CC;YCTAQRPPFTUUST-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299997;MM299997;CC(F)=C(C)C(CN)CF;NSVRWJXGNGASEI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299998;MM299998;CC#CC(C)C(C)C(N)=O;MOMHSBBDVDYTRB-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM299999;MM299999;CC(=C(F)F)C(CO)CO;MURKTEFAEVSPGK-UHFFFAOYSA-N;152.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300000;MM300000;CC#CC(O)C(C)C(C)=O;ZAOFYDPTRNVTDI-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300001;MM300001;CCC(CN)C(F)=C(C)C;YGZMTXHGYWNRNO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300002;MM300002;CC#CC(O)C(C)C(N)=O;QMVMLXQIRNITFM-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300003;MM300003;CC(C)=C(F)C(CN)CN;NWCLAKYSVVXHCC-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300004;MM300004;C=C(C(=O)O)C(O)CC=O;FAMSQZYSMNHHFH-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300005;MM300005;CC(C)=C(F)C(CN)CF;YQRCCZVJDYGUML-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300006;MM300006;C=C(F)C(C)C(O)C#CC;XZLXWFDISJAKAG-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300007;MM300007;CC(C)=C(F)C(CF)CF;PZLVROWOUMGRHZ-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300008;MM300008;C=C(C)C(C)C(F)C#CC;BKAYACXIZQNACF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300009;MM300009;CC(F)=C(F)C(CN)CN;ATRCOYRSYKNQSR-UHFFFAOYSA-N;150.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300010;MM300010;C=C(C)C(N)C(C)C#CC;SPBMMLLFJZINIP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300011;MM300011;CC(F)=C(F)C(CN)CF;BPRKNRPJGARPCB-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300012;MM300012;C=C(C)C(N)C(N)C#CC;OEPFIRDZGVXNLV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300013;MM300013;CCC(NC)C(C)=C(C)C;DFBYWLBLUTZBOB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300014;MM300014;CC#CC(N)C(N)C(=N)N;UOZLWJKFLPOTEU-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300015;MM300015;CCC(NC)C(C)=C(C)F;BCVCEFQGXUVDSE-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300016;MM300016;CNC(CN)C(C)=C(C)F;CAQJHLRUWQDQSE-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300017;MM300017;C=CC=C(COC)C(N)=O;CMWNNFQGMSLLGB-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300018;MM300018;CCC(NC)C(C)=C(F)F;GJRYXVROTAPKIO-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300019;MM300019;C=C(C)C(O)C(O)C#CC;BWUGUUCFRMOCCA-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300020;MM300020;CNC(CN)C(F)=C(C)C;APUYSAQMLMCUBH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300021;MM300021;CC#CC(O)C(O)C(C)=O;WZWSHROWSNYUSL-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300022;MM300022;CNC(CF)C(F)=C(C)F;HHTLFZUPYXIIDW-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300023;MM300023;CC#CC(O)C(O)C(=N)N;MZCWELOVNRQOBL-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300024;MM300024;CNC(CN)C(F)=C(F)F;VSSOJLGLDCZZED-UHFFFAOYSA-N;154.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300025;MM300025;CC#CC(O)C(O)C(N)=O;YKMWEQFNGGOSLH-UHFFFAOYSA-N;143.14;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300026;MM300026;COC(OC)C(C)=C(C)C;UTOYZSQWXANXBC-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300027;MM300027;O=C(O)C1CC1(O)CO;YHKTXKRDMHWKNS-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300028;MM300028;COC(OC)C(C)=C(C)F;GQFNICYJUFYBCO-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300029;MM300029;C=C(F)C(O)C(F)C#CC;HGNGPUHWBXSRHU-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300030;MM300030;C=C(C)C(F)C(O)C#CC;BXSVITITWWXRNS-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300031;MM300031;COC(OC)C(F)=C(C)C;FXBSNVJXMXJYHP-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300032;MM300032;CC#CC(O)C(F)C(C)=O;KXNAQUMKFZBDLB-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300033;MM300033;C=CC(CC)C(C)=C(C)C;OICWWFVBYKPAIJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300034;MM300034;CC#CC(C)N(C)C(C)=O;HAQOWNJIRZXUTI-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300035;MM300035;CCC(C#N)C(C)=C(C)C;LXNGLWXRUFZZEP-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300036;MM300036;CC#CC(C)N(C)C(=N)N;IHALWBJQNQFGCO-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300037;MM300037;C=CC(CN)C(C)=C(C)C;YTERJBVEPHXVIU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300038;MM300038;CC#CC(C)N(O)C(N)=O;YSVMIVLHOIKOCF-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300039;MM300039;CC(C)=C(C)C(C=O)CF;CSIMEFUSOUDRTO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300040;MM300040;C=C(C#CC)C(C)C(C)C;SCKTVFKLKPTKOZ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300041;MM300041;CCC(C#N)C(C)=C(C)F;VIGSAAIJSVFOAR-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300042;MM300042;C=C(C#CC)C(C)C(C)N;REIKZRGTFWFPHZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300043;MM300043;C=CC(CN)C(C)=C(C)F;CJFGFJLNFFVXIE-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300044;MM300044;C=CC(=C)C(C)C(=O)NC;FBAAMSSSAGODPE-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300045;MM300045;CC(F)=C(C)C(C=O)CF;JTLVKUXBQBKQPN-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300046;MM300046;C=C(C#CC)C(C)C(C)F;FLKIGANTJMGUOH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300047;MM300047;CCC(C#N)C(C)=C(F)F;QYXMHNPBFAZHKO-UHFFFAOYSA-N;145.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300048;MM300048;C=C(C#CC)C(C)C(F)F;CSSPVSSBKYEZMA-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300049;MM300049;CC(=C(F)F)C(C#N)CO;DLMHPUDJPPVWLR-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300050;MM300050;CC#CC(=O)C(C)C(C)O;WNXIMSRSMMVZEI-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300051;MM300051;C=CC(CF)C(C)=C(F)F;FDAOJMNFVRJPSU-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300052;MM300052;CC#CC(=O)C(C)C(C)F;BPRKRXOHXFGCPD-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300053;MM300053;CC(=C(F)F)C(C=O)CF;PMSNXUDQQCPJHS-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300054;MM300054;C=C(C#CC)C(N)C(C)N;TUXXLGNWGNDLTG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300055;MM300055;CCC(C#N)C(F)=C(C)C;LGXGGKCHUXNOLQ-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300056;MM300056;C=C(C#CC)C(N)C(C)O;KKFTVFZGIKBKHR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300057;MM300057;C=CC(CN)C(F)=C(C)C;GELWYJGWWLDGJK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300058;MM300058;C=C(C#CC)C(O)C(C)O;OSWIZADMPLCAKF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300059;MM300059;CC(C)=C(F)C(C=O)CF;ZWOPOAAWCHRYRR-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300060;MM300060;CC#CC(=O)C(O)C(C)C;UAUNPUFDFXEJQF-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300061;MM300061;CCC(C=O)C(F)=C(C)F;JQJWVDZMPIALCI-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300062;MM300062;CC#CC(=O)C(F)C(C)C;XNKJNSHOMNSCGI-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300063;MM300063;N#CC(CO)C(F)=C(F)F;VNKHTTZSCWZAGB-UHFFFAOYSA-N;151.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300064;MM300064;C=C(C#CC)C(C)N(C)C;XVAKFLQPMREWGQ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300065;MM300065;CC#CC(=O)N(N)C(C)C;RBDFYPZXSPXALS-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300066;MM300066;C=CC(NC)C(C)=C(C)C;TZZSSNYWDRBALX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300067;MM300067;C=C(C#CC)C(C)C(C)=O;DKLFMTVUVFIXTI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300068;MM300068;C=CC(NC)C(C)=C(C)F;AVZJSVFEYPDZNT-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300069;MM300069;C=C(C#CC)C(C)C(=N)N;DXDJRWSSPFSAAG-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300070;MM300070;CNC(C#N)C(C)=C(C)F;VKZDHAGRGYGFKD-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300071;MM300071;C=C(C#CC)C(C)C(N)=O;SYNYAORJDDMSOY-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300072;MM300072;CNC(C#N)C(F)=C(F)F;BNUGQXXVLDCJBB-UHFFFAOYSA-N;150.1;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300073;MM300073;C=C(C#CC)C(C)C(=O)O;CVFYYCKKTPIWEX-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300074;MM300074;C=CC(OC)C(C)=C(C)C;DDRWEKUURWVENG-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300075;MM300075;C=C(F)C(C)C(=C)C#CC;NDKMOUANIPZTEX-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300076;MM300076;COC(C#N)C(F)=C(C)C;LPIFITUCUZKBHM-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300077;MM300077;CC#CC(=O)C(C)C(C)=O;AOFYCMWVCADDSD-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300078;MM300078;COC(C#N)C(F)=C(F)F;GIVHKTJIMFPNGU-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300079;MM300079;CC#CC(=O)C(C)C(=N)N;HRQDOWATQSPJOU-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300080;MM300080;CCN(C=N)C(C)=C(C)C;AFCGGDGKFXHUBT-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300081;MM300081;CC#CC(=O)C(C)C(N)=O;TUKCDOVFTOKPQK-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300082;MM300082;CNN(C=N)C(C)=C(C)C;BIGLRVKZMGOGAK-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300083;MM300083;C=C(C)C(N)C(=C)C#CC;KVWLAJSQWSYVBC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300084;MM300084;C#CC(CC)C(C)=C(C)C;PAAULWRMWDPLCD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300085;MM300085;N#CCNC(=N)C(=O)CF;PIYWACZRQQYGGT-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300086;MM300086;C#CC(CN)C(C)=C(C)C;ZYFKDOUEGCJHFB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300087;MM300087;CC#CC(=O)C(O)C(=N)N;OOXNIZOZDMBMNV-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300088;MM300088;C#CC(CF)C(C)=C(C)C;XDHBQJZBAOPELG-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300089;MM300089;CC#CC(=O)C(O)C(N)=O;JYFQNOIGWBJNKB-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300090;MM300090;C#CC(CN)C(C)=C(C)F;PDAXWWHUDBZUIW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300091;MM300091;CC#CC(=O)C(F)C(N)=O;IMKFKZSCZQRYHQ-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300092;MM300092;C#CC(CO)C(C)=C(C)F;SXSBPLXWBBAKEV-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300093;MM300093;C=C(C#CC)N(C)C(C)=N;KVNLYOKLEDZTCT-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300094;MM300094;C#CC(CF)C(C)=C(F)F;VYOQQFSMZHPMKS-UHFFFAOYSA-N;148.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300095;MM300095;C=C(C#CC)N(C)C(C)=O;PBNMSSHRRPQFKT-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300096;MM300096;C#CC(CC)C(F)=C(C)C;YEJNZBMRLSPFDK-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300097;MM300097;C=C(C)N(C)C(=O)C#CC;WXSKMROHTMTTMT-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300098;MM300098;C#CC(CN)C(F)=C(C)C;YASGMOQLEWDNDT-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300099;MM300099;CC#CC(=O)N(C)C(C)=O;MCVCNFUNYXHRLY-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300100;MM300100;CC#CC(=O)N(C)C(N)=O;XGROKOBZSCTKPB-UHFFFAOYSA-N;140.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300101;MM300101;C#CC(CC)C(F)=C(C)F;IHWIPXAQRJMLHV-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300102;MM300102;C=C(C#CC)N(N)C(C)=N;BMHGRLJVLCKYCB-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300103;MM300103;C#CC(CN)C(F)=C(C)F;KZWXSKCZIKVKAA-UHFFFAOYSA-N;145.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300104;MM300104;C=C(C#CC)N(N)C(C)=O;MLCBQSDRWPDVJD-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300105;MM300105;CNN=CN(CC=O)NC;MRTAWIKVUGREMP-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300106;MM300106;CCC(C)C=NNCC=O;DFZXTGMZYXLFSS-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300107;MM300107;C#CC(OC)C(F)=C(C)C;RRKRTIGGFBOOJD-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300108;MM300108;CC=C(CCCF)C(N)=O;WMFKVRDSDBDFRT-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300109;MM300109;C=CC(C=C)C(C)=C(C)C;RNWGBUSXZKYOFU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300110;MM300110;C=C(C)N(N)C(=O)C#CC;CLAJJEVLKINNFY-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300111;MM300111;C=CC(C#N)C(C)=C(C)C;KVDOGXLUEIKXKS-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300112;MM300112;CC#CC(=O)N(N)C(=N)N;BVQFOMFZQOQXII-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300113;MM300113;C=CC(C=C)C(C)=C(C)F;WXPLWCQSDXXSEA-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300114;MM300114;COC(CF)=NOCC=O;MJPKENRVTAUNRF-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300115;MM300115;C=CC(C=O)C(C)=C(C)F;NVTFGQWWVPDUHG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300116;MM300116;C=C(C#CC)N(O)C(C)=N;IFNPXQMTQOEXRC-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300117;MM300117;CC(F)=C(C)C(C=O)C=O;HZZKZDCYZYCSFJ-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300118;MM300118;C=C(C#CC)N(O)C(N)=O;JUYSUKFKVCTILO-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300119;MM300119;C=CC(C=C)C(C)=C(F)F;BNPBTYUHYKBXTE-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300120;MM300120;CC#CC(=N)N(O)C(N)=O;IWONXRMZIBVUQO-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300121;MM300121;C=CC(C=O)C(C)=C(F)F;KWOUMTKLOAPEEH-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300122;MM300122;C=C(C(C)C)C(C)C#CC;BDTRGTBRPZTSRQ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300123;MM300123;CC(=C(F)F)C(C=O)C=O;HAFYEUBMKKGZDY-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300124;MM300124;C=C(C(C)N)C(C)C#CC;SXNZIUHJDANIHV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300125;MM300125;C=CC(C=C)C(F)=C(C)C;CQCQVAMPFRWARB-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300126;MM300126;C=CC1(C=C)NC1CC=O;KFLBFULWJFBLBD-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300127;MM300127;C=CC(C=O)C(F)=C(C)C;DUJAEVYDROTZCI-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300128;MM300128;C=C(C(C)F)C(C)C#CC;KGPORGLICCLKTC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300129;MM300129;CC(C)=C(F)C(C=O)C=O;AXKRZPDMNVKPKG-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300130;MM300130;C=C(C(C)C)C(N)C#CC;FVJNRGDWINBDLW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300131;MM300131;CC(F)=C(F)C(C#N)C=O;GXYJFUBROMMOMZ-UHFFFAOYSA-N;145.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300132;MM300132;C=C(C(C)C)C(O)C#CC;IAFZLZDWJBYSAF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300133;MM300133;C=CN(C=N)C(C)=C(C)C;ARMHDVMLCNOYNG-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300134;MM300134;C=C(C(C)N)C(O)C#CC;RDCZCFANTWFCKT-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300135;MM300135;C=CN(C=O)C(C)=C(C)C;DTALDUHMPSZSBH-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300136;MM300136;C=C(C(C)O)C(O)C#CC;NXGUDEWFXQEFDU-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300137;MM300137;CC(C)=C(C)N(C=N)C=N;YESNJBBRDWLKPL-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300138;MM300138;CC#CC(O)C(=O)C(C)C;CROMDDQKLNAISO-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300139;MM300139;CC(C)=C(C)N(C=O)C=O;MWFXWVHMQINIKG-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300140;MM300140;CC#CC(C)C(=N)N(C)N;NODGTPHZWDKXGM-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300141;MM300141;C=CN(C=N)C(C)=C(C)F;ADYXQMOVFBCJOT-UHFFFAOYSA-N;142.18;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300142;MM300142;CC#CC(N)C(=N)N(C)C;IUSXHGBWQWTVOA-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300143;MM300143;C=CN(C=O)C(C)=C(C)F;BUUZOWCXTIQQSX-UHFFFAOYSA-N;143.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300144;MM300144;CC#CC(C)C(=O)N(C)C;LTAJBIVVSVHSPG-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300145;MM300145;C=NN(C=N)C(C)=C(C)F;QXKRWBUZZWTGOR-UHFFFAOYSA-N;143.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300146;MM300146;CC#CC(C)C(=O)N(C)N;WJITUZSWDLJHJI-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300147;MM300147;C=NN(C=O)C(C)=C(C)F;NEXWFOVXSXXUFY-UHFFFAOYSA-N;144.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300148;MM300148;CC#CC(C)C(=O)N(C)O;PZOYTWGSYMZKTL-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300149;MM300149;C#CC(C=C)C(C)=C(C)C;FQGNVQRIWOXIGN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300150;MM300150;CC#CC(F)C(=O)N(C)C;CPAPSZODTRMUAX-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300151;MM300151;C#CC(C=O)C(C)=C(C)C;KBQXMHGGIVDTSH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300152;MM300152;C=C(C)C(=C)C(C)C#CC;YVGNVWXRKSOSGA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300153;MM300153;C#CC(C=C)C(C)=C(C)F;AXFDIMYJZQENKE-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300154;MM300154;C=C(C(C)=O)C(C)C#CC;QYBOXHHFRZSUEW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300155;MM300155;C#CC(C#N)C(F)=C(C)C;QTRHCVWUZVEMRY-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300156;MM300156;C=CCN1C=NC(=NN)C1;MXGWPOFTNGMRKF-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300157;MM300157;C#CC(C#C)C(C)=C(F)F;IIKWRUPFYHWRDP-UHFFFAOYSA-N;140.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300158;MM300158;C=C(C(=O)O)C(C)C#CC;POTUUOBOGONEOJ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300159;MM300159;CC=C(CC)C(C)=C(C)C;YVHDVAAVJGGAJN-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300160;MM300160;C=C(F)C(=C)C(C)C#CC;PZGYZSTYYJQKQM-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300161;MM300161;CC(C)=C(C)C(=CF)CF;YVLKPFVVGLNKDA-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300162;MM300162;C=C(C)C(=C)C(N)C#CC;HFLMTEJAZZTFAC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300163;MM300163;CC=C(CC)C(C)=C(C)F;KSCDHICSEFJHBW-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300164;MM300164;C=C(C(=N)N)C(N)C#CC;SNQUDGKKPKCOPZ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300165;MM300165;CC=C(CN)C(C)=C(C)F;NEMZHQMVSUWELH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300166;MM300166;C=C(C)C(=C)C(O)C#CC;QJFDVQMVMMIANC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300167;MM300167;CC(F)=C(C)C(=CF)CN;SPNOSDRPIOTYJR-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300168;MM300168;C=C(C(C)=O)C(O)C#CC;YXMDTWQLGQAGRC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300169;MM300169;CC(F)=C(C)C(=CF)CF;UIUBSUINZXTIHI-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300170;MM300170;C=C(C)C(=C)C(F)C#CC;XKOBMPPYFZQCOV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300171;MM300171;CC=C(CN)C(F)=C(C)C;JUTSXAXJQZWZJF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300172;MM300172;C=C(C(C)=O)C(F)C#CC;UFZVMLFZRGJAIV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300173;MM300173;CC(C)=C(F)C(=CF)CN;LNZCTUWMNGOOOT-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300174;MM300174;C=C(C(=N)N)C(F)C#CC;JGRSZXCSRQGPHH-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300175;MM300175;CC=C(CO)C(F)=C(C)C;AOZSEEHEEDWPMS-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300176;MM300176;C=C(C)C(=O)C(C)C#CC;CIDFHELRKXOSFH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300177;MM300177;CCC=C(CNC=O)OC;JYUNZIWPYPLNPI-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300178;MM300178;CC#CC(C)C(=O)C(C)=O;JFWRXXZIUALVKG-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300179;MM300179;CC(N)=C(C)C(CO)=NO;GCQBTZBLVJZLSW-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300180;MM300180;C=CN=C1CN=C(C#N)N1;UWUCNQGLHNZEMU-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300181;MM300181;CCC(=NO)C(C)=C(C)F;AWKZPUPPDANBBV-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300182;MM300182;C=C(C)C(=O)C(O)C#CC;QQPSJQMRZNOLPW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300183;MM300183;CC(F)=C(C)C(CF)=NN;BBIIEUWWMQJEBV-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300184;MM300184;CC#CC(O)C(=O)C(N)=O;RMJWDGGTJLIGJE-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300185;MM300185;N#CCN=c1[nH]oc(=O)o1;CLYQOSLKMBXQGJ-UHFFFAOYSA-N;141.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300186;MM300186;CC#CC(=CC(=O)O)CO;NKNMQBCVOHLLGW-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300187;MM300187;C=CC(=COC)CNC=O;ZARIIDQOEMWSRO-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300188;MM300188;C=C(C#CC)C(=C)C(C)C;CQOMTQVQQWWIJW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300189;MM300189;Cc1nnn(C=N)c1O;XZEOTKHYSJAANX-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300190;MM300190;C=C(C#CC)C(=C)C(C)N;CYWHAANNMGBFOE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300191;MM300191;CCC(=NN)C(F)=C(C)C;FNLASVMPOMIJBO-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300192;MM300192;C=Cc1onc(OC)c1N;KLYSYODDKHZHGF-UHFFFAOYSA-N;140.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300193;MM300193;N#CC(=O)N(C=O)C(=N)N;FBFKBCNFZKLZEX-UHFFFAOYSA-N;140.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300194;MM300194;C=C(C#CC)C(=C)C(C)F;JJLMYESKEZYTEG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300195;MM300195;N=c1cc[nH]nnc1=NN;NJLRRXBDAPZTQV-UHFFFAOYSA-N;138.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300196;MM300196;C=C(C(=O)C#CC)C(C)C;GMZYAWINXMEBON-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300197;MM300197;CC(F)=C(F)C(CO)=NN;VVBMJSDWKQGEAT-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300198;MM300198;CC#CC(=O)C(=O)C(C)C;JFRCLYOTPKMVCO-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300199;MM300199;C=NN(C)CC(O)C(=O)O;CGICICQBWGNJGW-UHFFFAOYSA-N;146.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300200;MM300200;C=C(C#CC)C(=N)N(C)C;HWMRWWKGOCJFTA-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300201;MM300201;CN=C(NC)C(C)=C(C)C;OLOOUSDHYXSQPU-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300202;MM300202;CC#CC(=O)C(=N)N(C)C;JGBDUVJRZPTMCN-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300203;MM300203;CC(F)=C(C)C(=NO)NO;FHHIDKIFUNRUJJ-UHFFFAOYSA-N;148.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300204;MM300204;O=CCNN=CCCCF;HHPQWCFAYSFDPS-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300205;MM300205;COC(CNC=O)=C(C)C;WVUDVZNSTFLZBN-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300206;MM300206;C=C(C#CC)C(=O)N(C)C;ZMRILLIFSJQMME-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300207;MM300207;C=CC1C(C)C1NC(C)=O;DSUQXLUTLQFQIH-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300208;MM300208;CC#CC(=O)C(=O)N(C)C;PGFKMXVTSLGUMG-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300209;MM300209;C=CC1(CCNC=O)CO1;MFCLHXWAXPKJPG-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300210;MM300210;C=C(C)C(=C)C(=C)C#CC;JESZACVQCFGCDA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300211;MM300211;COC(=NO)C(C)=C(C)C;HSBJEMBMAQCMOL-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300212;MM300212;C=C(C#CC)C(=C)C(C)=O;MSWVHPIEJZRBPK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300213;MM300213;CCNc1cc(CC)[nH]n1;ZYXJIPUYVUURAV-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300214;MM300214;C=C(C#CC)C(=C)C(=N)N;MJSFTVQUZNFEFW-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300215;MM300215;NN=CN(O)C=CC(=O)O;UNNKBOFSFFYXRG-UHFFFAOYSA-N;145.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300216;MM300216;O=CCNN=CCC=CF;NUELKPPIDGCVLM-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300217;MM300217;COC(=CC(=O)O)CF;RTOLHUGCKVNGLP-UHFFFAOYSA-N;134.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300218;MM300218;C=C(C#CC)C(=C)C(=O)O;CARNXXMLDKJGTB-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300219;MM300219;C=CC(=CC)C(C)=C(C)C;QOLWJCQFJUOVIB-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300220;MM300220;C=C(C(C)=O)C(=O)C#CC;VKORKFZLXSYSCL-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300221;MM300221;C=CC(=CF)C(C)=C(C)C;PBMPRUFYCOMUTF-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300222;MM300222;C=C(C)C(=O)C(=C)C#CC;SPQSAGAKOJZSDC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300223;MM300223;CC=C(C=O)C(C)=C(C)C;SAMLHOMGAWXAPZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300224;MM300224;C=C(C#CC)C(=O)C(C)=O;HVDNCZWHVIWCIO-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300225;MM300225;CC=C(C#N)C(C)=C(C)C;AFQMTKRTWKMIPH-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300226;MM300226;C=C(C#CC)C(=O)C(=N)N;ACOXFDHULNFGTO-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300227;MM300227;CC(C)=C(C)C(C=O)=CF;UJMGKUQQGMNRHN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300228;MM300228;C=C(C#CC)C(=O)C(N)=O;BWGWZTUEWFOUDS-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300229;MM300229;CC(C)=C(C)C(C#N)=CF;DRNPULAASUBYNJ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300230;MM300230;C=C(C)C(=O)C(=O)C#CC;VDKLJNXDKQMTFQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300231;MM300231;CC=C(C#N)C(C)=C(C)F;LRRBFLJIMNZXLH-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300232;MM300232;CC#CC(=O)C(=O)C(C)=O;UCWFMJMHNVLXOA-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300233;MM300233;CC(C)=C(F)C(C=O)=CF;JWHOIDJVWWLCMY-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300234;MM300234;CC#CC(=O)C(=O)C(=O)O;LDFXJUAPMRIMFK-UHFFFAOYSA-N;140.09;-0.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300235;MM300235;C=CC(=NN)C(C)=C(C)C;UDSVDUYXILBYEU-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300236;MM300236;CC(=CCN)C(C)C(C)C;JIBGLQSINZRSKH-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300237;MM300237;CC(C)=C(C)C(C=O)=NO;NUYXHVCTVIIZAH-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300238;MM300238;CCC=C(C)C(C)C(C)N;IOOOIAOTWUUKDI-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300239;MM300239;O=CCC#CC(=O)C1CN1;IJQJJPFSARHQPF-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300240;MM300240;CC(=CCF)C(C)C(C)N;ISQGCDWFPDSYSZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300241;MM300241;CC(=N)C(C)=C(C=O)NO;KJASVAFZIBISRW-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300242;MM300242;CC(=CCN)C(C)C(C)O;GICRZGPTOUJKTJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300243;MM300243;C=CC(=NO)C(C)=C(C)F;XZIYVRITMPLDNM-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300244;MM300244;CC(=CCN)C(C)C(C)F;IAGGVBKLGIJTBC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300245;MM300245;CNc1cc[nH]n1;UFYFLBNWAMCOML-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300246;MM300246;CC(=CCN)C(C)C(F)F;RBBJDCFQSSRVRT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300247;MM300247;O=C(O)CCOC=CF;ZJRZWFNVIHRXQV-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300248;MM300248;CC(=CCF)C(C)C(F)F;MCEXMKQRQWMNMN-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300249;MM300249;C=CC(=NN)C(F)=C(N)N;UQLRHYUUPKMIMS-UHFFFAOYSA-N;144.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300250;MM300250;CC(N)C(C)C(F)=CCF;XQBDXNLSRQJGTA-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300251;MM300251;O=C(O)CC1CO1;ZVNYKZKUBKIIAH-UHFFFAOYSA-N;102.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300252;MM300252;CC(O)C(C)C(F)=CCF;RFPVBEDTKFDVLR-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300253;MM300253;C#CC(=CC)C(C)=C(C)C;QEUNLDXQTMQSNZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300254;MM300254;CC(F)C(C)C(F)=CCN;GQPXRDFFUWINOR-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300255;MM300255;C#CC(=CF)C(C)=C(C)C;QQGCRXGMNSZJDZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300256;MM300256;CCC=C(C)C(N)C(C)C;NADXPPGLDJGALH-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300257;MM300257;C#CC(=CC)C(C)=C(C)F;JCZSFCKNNHSLIL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300258;MM300258;CC(=CCO)C(N)C(C)C;LQJZMDTXYHFNGY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300259;MM300259;C#CC(=CF)C(C)=C(C)F;VBDLNXQSWHWIDX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300260;MM300260;CC(=CCF)C(N)C(C)C;LGJFEMJLVXHLAV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300261;MM300261;C#CC(=CF)C(C)=C(F)F;CCHHVGSKRVXMLI-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300262;MM300262;CCC=C(C)C(N)C(C)N;YLRQBDHRUUIYHJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300263;MM300263;C#CC(=CF)C(F)=C(C)C;WCXMHTABVPBMFO-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300264;MM300264;CC(=CCF)C(N)C(C)N;LLBAGSHYQIORJI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300265;MM300265;C#CC(=NN)C(C)=C(C)C;CSMKFLMSLDBYOF-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300266;MM300266;COC(N)=CC(N)=O;JLUQTEPLDZOLES-UHFFFAOYSA-N;116.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300267;MM300267;CCC=C(C)C(N)C(C)F;GTFXQAWPAIRPJY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300268;MM300268;C#CC(=NN)C(F)=C(C)C;VGQBJZCZJLYGCY-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300269;MM300269;CC(=CCN)C(N)C(C)F;VVLOYKYGCOEITI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300270;MM300270;CCC(CC)=C(C)C(C)C;VIRADEUNFCJINR-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300271;MM300271;CC(=CCF)C(N)C(C)F;RIMPXGBRRKUEBD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300272;MM300272;CCC(CN)=C(C)C(C)C;ZXWQPEGCKIOWKD-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300273;MM300273;CC(C)C(N)C(F)=CCF;BKGGJGZHUAVUCN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300274;MM300274;C#Cc1ccc(N)[nH]1;WVDCTBOKUAFGHQ-UHFFFAOYSA-N;106.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300275;MM300275;CC(=CCN)C(O)C(C)C;XDMDTWZLLUUEQK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300276;MM300276;CCC(CC)=C(C)C(C)N;AKHLKKMDIIKITB-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300277;MM300277;CC(=CCF)C(O)C(C)C;SDXLGJGPLAEGEL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300278;MM300278;CCC(CO)=C(C)C(C)N;XKSWWKGEISVKKU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300279;MM300279;CCC=C(C)C(O)C(C)O;PCNIKXSTZIVJQB-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300280;MM300280;CC(=C(CN)CF)C(C)N;BWHPCPUNNQSRQC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300281;MM300281;CC(=CCN)C(O)C(C)F;CRJLEOXBNQROEH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300282;MM300282;NC(=O)C=CC1CO1;LQNAGRRRLFOXGG-UHFFFAOYSA-N;113.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300283;MM300283;OCC=C(F)C(O)C(F)F;RZFLNMLCYOZJTR-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300284;MM300284;CC(=CCN)C(F)C(C)C;VYVGEDNJTVIQSS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300285;MM300285;CCC(CO)=C(C)C(C)O;MYJSKDQVHVEDPI-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300286;MM300286;CC(=CCF)C(F)C(C)N;JNHSBZJBHHYCNP-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300287;MM300287;CCC(CF)=C(C)C(C)O;FOBOJESADNLFLH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300288;MM300288;CC(=CCN)C(F)C(C)O;BHXHZZWWWNRSGR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300289;MM300289;CC(=C(CN)CO)C(C)O;PUIYDJBVFNXYOU-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300290;MM300290;CC(=CCN)C(F)C(C)F;JAZAMIQVLSKYMJ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300291;MM300291;CCC(CN)=C(C)C(C)F;ZTGDQRKIXMDHCT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300292;MM300292;COC=C(C)C(C)C(C)N;ATZVDLGEDNMQOT-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300293;MM300293;CCC(CF)=C(C)C(C)F;ZYXXFLJBUYHHOL-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300294;MM300294;COC=C(F)C(C)C(C)N;PPFGDEZNATUFOW-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300295;MM300295;CC(=C(CN)CN)C(C)F;AKBJVRYWVWRMPI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300296;MM300296;COC=C(C)C(N)C(C)N;XGFONQLIRHWOMB-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300297;MM300297;CC(=C(CN)CF)C(C)F;BCFHSCQCGAAWIN-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300298;MM300298;COC=C(F)C(O)C(C)F;AAFGLWBFAABOEQ-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300299;MM300299;CC(=C(CN)CN)C(F)F;YAFOUOBNLYXZJI-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300300;MM300300;COC=C(F)C(O)C(F)F;QHVHSHZLGCVXRM-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300301;MM300301;CCC(CN)=C(F)C(C)C;ODLFYUCIIUCDCT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300302;MM300302;COC=C(C)C(F)C(C)N;UDTKEBSGPWUQCZ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300303;MM300303;CC(C)C(F)=C(CN)CF;KEHQZRALIZUCOO-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300304;MM300304;CNN=C(C)C(C)C(C)C;IYDNTOJVFMXGDV-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300305;MM300305;CCC(CF)=C(F)C(C)O;KDGDWDIEOJDZTP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300306;MM300306;CNN=C(C)C(C)C(C)F;DNQNABIVLFVLQJ-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300307;MM300307;CC(O)C(F)=C(CN)CF;TVOSQLQPDAKAGA-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300308;MM300308;CNN=C(C)C(N)C(C)N;MSZSRKDXBGTTMK-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300309;MM300309;CC(O)C(F)=C(CO)CO;ZIJPAWJFHNMLAR-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300310;MM300310;CNN=C(C)C(O)C(C)N;UBWYERBZMJDHKO-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300311;MM300311;CCC(CN)=C(F)C(C)F;YFEHQPFSSRFDSN-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300312;MM300312;CCC(=O)NC(C)C;KYKDOARTYFGHPC-UHFFFAOYSA-N;115.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300313;MM300313;CC(F)C(F)=C(CN)CN;OKGIAELAVVPLPD-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300314;MM300314;CON=C(C)C(O)C(C)N;NQICDSICTJSNMC-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300315;MM300315;NCC(CN)=C(F)C(F)F;BPENECCSJLJLKN-UHFFFAOYSA-N;154.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300316;MM300316;CON=C(C)C(F)C(C)C;WWQWKLMCDSTMJS-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300317;MM300317;OCC(CO)=C(F)C(F)F;DSOQUFQPABOQID-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300318;MM300318;CC(=CCN)C(C)N(C)C;PUYCWNJLWZGIKX-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300319;MM300319;COC(CN)=C(F)C(C)O;CETUBZIVWJUTQF-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300320;MM300320;CCN=C(C)N(N)C(C)C;UVKRSIYODCUPNO-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300321;MM300321;COC(CF)=C(F)C(C)O;LRYABIOBWQAFKK-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300322;MM300322;CON=C(C)N(C)N(C)C;CHAJPHIVGLAVLV-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300323;MM300323;C=CC(CC)=C(C)C(C)C;YQTLTALZYZMEPC-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300324;MM300324;CC(=CC#N)C(C)C(C)C;LJPVJTJICHAAQT-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300325;MM300325;CCC(C=O)=C(C)C(C)C;DVHBTBUZVYCIPQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300326;MM300326;CC(C=O)CCC(N)=O;SYJKKSIBZQFJRU-UHFFFAOYSA-N;129.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300327;MM300327;CCC(C#N)=C(C)C(C)C;XMBYVBFRRQIORU-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300328;MM300328;C=NN(C)C=CC(N)=O;ACGHKYZGLOPWLY-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300329;MM300329;C=CC(=O)NC(C)C=C;PQIIVJFAGNOBRS-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300330;MM300330;C=CC=C(C)C(C)C(C)F;FPSFTPUZNPDVMF-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300331;MM300331;C=CC(CC)=C(C)C(C)N;RERQFXKIARODOC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300332;MM300332;CC(O)C(C)C(N)=CC=O;WQGSLACTJVMZEA-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300333;MM300333;C=CC(CO)=C(C)C(C)N;IMLBYJWWHLYVHO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300334;MM300334;CC(C)C(C)C(F)=CC=O;ZFXPWDAZXFMZBP-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300335;MM300335;CCC(C#N)=C(C)C(C)O;VOKPUJMXHSJLAQ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300336;MM300336;CC(C)C(C)C(F)=CC#N;HDUHRKHVGNKDSZ-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300337;MM300337;C=CC(CO)=C(C)C(C)O;SBTBPVHVZLMESE-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300338;MM300338;C=CC=C(F)C(C)C(C)N;WZVHYPUBJXIWCT-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300339;MM300339;CCC(C#N)=C(C)C(C)F;RECCPOSWXVPYMF-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300340;MM300340;C=CC=C(C)C(N)C(C)C;UMAJMWWKBUNDNQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300341;MM300341;C=CC(CN)=C(C)C(C)F;LPYNDMZZWSAYBD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300342;MM300342;C=CC=C(C)C(N)C(C)O;RSVXIZSVQOSJQJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300343;MM300343;CC(=C(C=O)CF)C(C)F;YAZXZRDRFJMRJB-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300344;MM300344;C=CC=C(F)C(N)C(C)C;CNCUODCRBHHWEO-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300345;MM300345;NC(=O)CCC1(F)CC1;DLPAZLXNDHKFEP-UHFFFAOYSA-N;131.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300346;MM300346;C=CC=C(F)C(N)C(C)N;HMSQMYIINIYPJZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300347;MM300347;CCC(C=O)=C(F)C(C)C;QIISHPVQXXPQDZ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300348;MM300348;CC(=CC#N)C(O)C(C)C;KMFCGQHZDHJINP-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300349;MM300349;C=CC(CN)=C(F)C(C)C;GQPFPIALTDDTRA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300350;MM300350;CC(O)C(O)C(N)=CC=O;MQRHDKSDRIYPJX-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300351;MM300351;CCC(C=O)=C(F)C(C)O;JEZGUPBTSCCORC-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300352;MM300352;NN=CON=CC(F)F;ZCGVONOHONSWSF-UHFFFAOYSA-N;137.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300353;MM300353;C=CC(CN)=C(F)C(C)O;IBAZNFNAQIEVAS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300354;MM300354;N#CC=C(F)C(O)C(F)F;VSNZBIKICZBQMX-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300355;MM300355;CCC(C=O)=C(F)C(C)F;DSQWRGWRTUTQNN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300356;MM300356;C=CC(CN)=C(F)C(C)F;YKTVKBNMKQXJJV-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300357;MM300357;CC(=CC#N)C(F)C(C)C;LHRCQNYEIJCAJS-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300358;MM300358;N#CC(CO)=C(F)C(F)F;KAQBCKYBFKYTMM-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300359;MM300359;N#CC=C(N)C(F)C(F)F;LMSLZKHXYYFSJO-UHFFFAOYSA-N;150.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300360;MM300360;C=CC(OC)=C(C)C(C)C;GQZXQFBWUPPMIX-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300361;MM300361;CC(O)C(F)C(F)=CC#N;IJPXOPAUFYURJY-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300362;MM300362;COC(C=O)=C(C)C(C)F;IFIAOZSXROTJPF-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300363;MM300363;C=NN=C(C)C(C)C(C)O;UMFVOSYFCOCQDW-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300364;MM300364;COC(C#N)=C(C)C(C)F;ANYPPAXFKAOEOH-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300365;MM300365;C=NN=C(C)C(N)C(C)N;SCVGFIHJNXJWHP-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300366;MM300366;COC(C=O)=C(N)C(C)O;NCZZAQHUUTYSCR-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300367;MM300367;C=NN=C(C)C(O)C(F)F;VMNKDNOWATVCKS-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300368;MM300368;COC(C#N)=C(N)C(C)F;YEDIMKZTIITBPG-UHFFFAOYSA-N;144.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300369;MM300369;CC(=CC=O)N(C)C(C)C;PKSRUAMKCHNIJX-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300370;MM300370;COC(C#N)=C(F)C(C)C;UOFCJYYRVDJXOI-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300371;MM300371;CC(=CC#N)N(C)C(C)C;CMKZFHLDZUYDBZ-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300372;MM300372;C=CC(OC)=C(F)C(C)O;PSFZQVFQAATGKR-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300373;MM300373;CC(=NC=O)N(N)C(C)C;HSMJEVDHFARWLD-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300374;MM300374;COC(C=O)=C(F)C(C)O;AWEYYGGRFJCRGS-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300375;MM300375;C=NN=C(C)N(N)C(C)C;TZBFTDVEUOYMSJ-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300376;MM300376;COC(C#N)=C(F)C(F)F;BYUUECFFTXNXMM-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300377;MM300377;CC(=NC=O)N(C)N(C)C;HZACICIBUXGUOU-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300378;MM300378;CCC(C#N)=C(C)N(C)C;PXZCWDXDSOMWIA-UHFFFAOYSA-N;138.21;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300379;MM300379;C=NN=C(C)N(C)N(C)C;KJUJRMWTFKXLTC-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300380;MM300380;C#CC(C=C)=CC(N)=O;IMFOUMYJHVGMJR-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300381;MM300381;C#CC=C(C)C(C)C(C)C;NOUZKZTXJXLLIN-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300382;MM300382;CCC(C#N)=C(N)N(C)C;YCPZHDBIPVOHBN-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300383;MM300383;C#CC=C(C)C(N)C(C)C;QWKOITZNCAQOLK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300384;MM300384;C=NN=CC=CC(N)=O;INBLQWAFRHUUAE-UHFFFAOYSA-N;125.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300385;MM300385;CC1C(NC=O)C1(C)C;XMPGJIDFPSKGQT-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300386;MM300386;COC(C=O)=C(N)N(C)C;YRCRWTPCPTWKCM-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300387;MM300387;C#CC=C(C)C(O)C(C)O;GSRYWOTVORYMAB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300388;MM300388;C#CC(CC)=C(C)C(C)C;ASDLGWRZKHDIFL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300389;MM300389;C#CC=C(F)C(O)C(F)F;XDXNOLPEYZZWFI-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300390;MM300390;C#CC(CN)=C(C)C(C)C;RICDLATZHSHSGI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300391;MM300391;C=C(C)C(C)C(C)=CCN;ACUJCZDTBMKQMQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300392;MM300392;C#CC(CC)=C(C)C(C)N;CUDXJUBAJZELJE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300393;MM300393;CC(=O)C(C)C(C)=CCF;LIFIZSRBEBKBDV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300394;MM300394;C#CC(CO)=C(C)C(C)N;ARSBNGUMSXYPOK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300395;MM300395;CC(=CCN)C(C)C(=N)N;QQNJNSZULKPBLR-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300396;MM300396;CC(F)C(C)CNC=O;DRPNJXIYTVQVFR-UHFFFAOYSA-N;133.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300397;MM300397;CC(=CCF)C(C)C(=N)N;ZDSUUKFMPFVSLO-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300398;MM300398;C#CC(CC)=C(C)C(C)F;FOJXPWBYUJPDPC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300399;MM300399;CC(=CCF)C(C)C(=O)O;OLUCOUPWTHUMNW-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300400;MM300400;C#CC(CC)=C(C)C(F)F;NHJLMVFKCFMHRH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300401;MM300401;C#CC(CC)=C(F)C(C)C;PQFVMKRRFOQLBP-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300402;MM300402;C=C(F)C(C)C(C)=CCN;IZAYLUUHZBLAHA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300403;MM300403;C#CC(CC)=C(F)C(C)O;SAJYGBPMRULZQE-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300404;MM300404;C=C(C)C(C)C(F)=CCC;DFRWJKVWMNIKEJ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300405;MM300405;C#CC(CO)=C(F)C(C)F;CMIIBAKYINCDJD-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300406;MM300406;CC(=O)C(C)C(F)=CCF;JQCMIKDUJWIDEL-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300407;MM300407;C=CC(C=C)=C(C)C(C)C;KOFXCKXWEFTPRB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300408;MM300408;CC(C(=N)N)C(F)=CCF;YHZBJBZPPHEQTO-UHFFFAOYSA-N;148.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300409;MM300409;C=CC(C#N)=C(C)C(C)C;YQRCQYYLWMTTOD-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300410;MM300410;CC(C(N)=O)C(F)=CCO;LAUUWIULKLPHEQ-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300411;MM300411;C=CC(C=C)=C(C)C(C)N;XIKWFXUORJQWSU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300412;MM300412;C=C(C)C(N)C(C)=CCC;LJZFFUAPJAEOGK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300413;MM300413;CC(C=O)CCNC=O;KKKOLCFGAHMIAB-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300414;MM300414;C=C(C)C(N)C(C)=CCF;WBTAMYIFCZMWGT-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300415;MM300415;C=CC(C=O)=C(C)C(C)O;RIYZJCJLKAYKMD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300416;MM300416;C=C(F)C(N)C(C)=CCN;VZXHNBSTNURMKG-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300417;MM300417;C=CC(C#N)=C(C)C(C)O;RBJWMBJMMDAZJV-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300418;MM300418;N=C(N)C(N)C(F)=CCO;RBJOAFRSUGCNSE-UHFFFAOYSA-N;147.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300419;MM300419;C=CC(C=C)=C(C)C(C)F;QJAXXPXHKNHCOP-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300420;MM300420;C=C(C)C(O)C(C)=CCN;ZVALPGGHABADSD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300421;MM300421;CC(=C(C#N)C#N)C(C)F;UPUBLORRPGHSFZ-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300422;MM300422;CC(=O)C(O)C(F)=CCO;DMTORVWVELIROJ-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300423;MM300423;C=CC(C=O)=C(C)C(F)F;LYTPIDLCGYKXOU-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300424;MM300424;N=C(N)C(O)C(F)=CCO;CWDVFYQYWRMRQY-UHFFFAOYSA-N;148.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300425;MM300425;CC(C)C(N)=C(C=O)C=O;JEFTYASNWWUUEB-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300426;MM300426;N=C(N)C(O)C(F)=CCF;LVEPJXKDUSXLLY-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300427;MM300427;CCC(=O)CCNC=O;QHTLRVUZMOUQKU-UHFFFAOYSA-N;129.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300428;MM300428;NC(=O)C(O)C(F)=CCF;OKPJJLLWWNZESS-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300429;MM300429;C=CC(C#N)=C(N)C(C)F;MZFNXCJJVNNQGT-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300430;MM300430;C=C(C)C(F)C(C)=CCN;KKBWVEABPHXBNC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300431;MM300431;CC(F)C(N)=C(C#N)C#N;YIFUXQZPHSYDBC-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300432;MM300432;CC(=O)C(F)C(C)=CCF;IUOVRZMLGKUAEQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300433;MM300433;N#CC(C#N)=C(N)C(F)F;IPOXOBFDNURBDU-UHFFFAOYSA-N;143.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300434;MM300434;CC(=CCF)C(F)C(=O)O;WLNQVQXYUWTOAO-UHFFFAOYSA-N;150.12;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300435;MM300435;C=CC(C=C)=C(F)C(C)O;VDPPKKQFXLBTMR-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300436;MM300436;CC(=O)C(F)C(F)=CCF;LZVVKVQJIMYNKZ-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300437;MM300437;C=CC(C=C)=C(F)C(C)F;FFUGXPZQZOHFTQ-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300438;MM300438;COC=C(F)C(N)C(=N)N;WMOOJTLDAAHOOC-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300439;MM300439;N#CC(C#N)=C(F)C(F)F;NXCYGVDATIRZCI-UHFFFAOYSA-N;146.07;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300440;MM300440;COC=C(C)C(O)C(N)=O;AXGSRBVXPZQLGJ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300441;MM300441;C=CC(C#N)=C(C)N(C)C;ZVVGUBHYLLRPOK-UHFFFAOYSA-N;136.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300442;MM300442;CC(=C(C#N)C=O)N(C)C;OWJCSOXATPWKRY-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300443;MM300443;COC=C(F)C(O)C(=N)N;PNUHKWOEAXOYBD-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300444;MM300444;CC(=C(C#N)C#N)N(C)C;DOBZLWPTHVTUCH-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300445;MM300445;COC=C(F)C(O)C(N)=O;GFEWDUUYLSLIKZ-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300446;MM300446;CNC(=O)C=CCCO;YKCFUMTUNAVSEV-UHFFFAOYSA-N;129.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300447;MM300447;C=C(F)C(O)C(F)=COC;HOGZFMNPSMKBNG-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300448;MM300448;C#CC(C=C)=C(C)C(C)C;JWNLGNQBVWVCFJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300449;MM300449;CNN=C(C)C(N)C(=N)N;YEKIWMIWKGUTPV-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300450;MM300450;C#CC(C=O)=C(C)C(C)C;RLWVKKVJMIKTMC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300451;MM300451;CON=CN(C)CC=O;JJMQIGSHTLISJV-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300452;MM300452;C#CC(C=C)=C(C)C(C)N;SPYJOFNWSLMIPA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300453;MM300453;C=CC=CC(C)NC=O;VONWCPOELWPSEO-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300454;MM300454;CNc1nc(N)c(N)o1;ZYHLQWUXPLEOBA-UHFFFAOYSA-N;128.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300455;MM300455;CNN=C(C)C(O)C(=N)N;KHSOLCJOBWKIJN-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300456;MM300456;C#CC(C#N)=C(C)C(C)O;NORLIQUSKIKTLD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300457;MM300457;C#CC(C)C(=C)C(N)=O;OWFDCULCGOULKK-UHFFFAOYSA-N;123.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300458;MM300458;C#CC(C=C)=C(C)C(C)F;HYOAKTMKDBXYTQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300459;MM300459;CN1C(=N)CN=C1C#N;XTSUGDWEKVFCBB-UHFFFAOYSA-N;122.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300460;MM300460;C#CC(C=O)=C(C)C(C)F;FTIWPWUWGPNDHO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300461;MM300461;CCCC(C)(C)NC(C)=O;PJIGDKLGBHRJOH-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300462;MM300462;C#CC(C#N)=C(C)C(C)F;PFLWXJGSZKBDRJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300463;MM300463;CCC=CC(=O)NC(C)C;VZZKDJYOAQSXSR-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300464;MM300464;C#CC(C#N)=C(C)C(F)F;JOZDCHXHKXDRHD-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300465;MM300465;O=CCC=C(CO)C(=O)O;PFEBVASQPMDNAM-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300466;MM300466;C#CC(C#N)=C(N)C(C)C;YMBHSGYFRBYFKO-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300467;MM300467;CON=C(C)C(O)C(=N)N;CCEJOJSQKTWZCT-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300468;MM300468;C#CC(C#N)=C(N)C(C)F;VIINRDSEPCKZDK-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300469;MM300469;CON=C(C)C(O)C(N)=O;URMSVNUYIYXUMN-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300470;MM300470;C#CC(C=C)=C(F)C(C)C;RHNKUEADBFMZBO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300471;MM300471;C=CC(=O)NC(C)C(C)C;GCCWRKPKTAWPCT-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300472;MM300472;C#CC(C=C)=C(F)C(C)O;ZEROYPQOSHXLSF-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300473;MM300473;CCC=C(C)N(C)C(C)=N;NNBYKRDUVXMNIO-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300474;MM300474;C#CC(C#N)=C(F)C(C)F;LYNPCHWVYQSBFR-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300475;MM300475;CC(=O)N(C)C(C)=CCN;RKKBBWKHHJIKLF-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300476;MM300476;C#CC(C#N)=C(C)N(C)C;JAOZMLIVZCQYII-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300477;MM300477;CCC=C(C)N(C)C(=N)N;VOADQJVAPIUHOG-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300478;MM300478;C#CC(C#C)=C(C)C(C)N;DBKBXMQSHSZLSK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300479;MM300479;CC(=CCO)N(C)C(=N)N;WVRGXCOGGXVRDZ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300480;MM300480;C=CC(=CN)C(=O)NC;CWIQTNCQVXBIMT-UHFFFAOYSA-N;126.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300481;MM300481;CC(=CCF)N(C)C(=N)N;YCBIJLPLPJUIES-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300482;MM300482;C#CC(C#C)=C(C)C(C)F;BBKBMLCUDOULEC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300483;MM300483;C#CC(C#C)=C(C)C(F)F;XGWZAEGCWQWSQV-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300484;MM300484;CC(=CCF)N(C)C(N)=O;FMGUJKPDZKDFJD-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300485;MM300485;C#CC(C#C)=C(F)C(C)O;PNVKXBOXDRFRPB-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300486;MM300486;CC(=N)N(N)C(C)=CCO;PMIJHXOMYBLWBW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300487;MM300487;C=C(C)C(C)=C(CC)CC;YMRXOXBRYHGYDD-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300488;MM300488;CCC=C(C)N(N)C(=N)N;FQAUBVQMFVVSNR-UHFFFAOYSA-N;142.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300489;MM300489;C=C(C)C(C)=C(CC)CN;RXEHUZVNVVBEJL-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300490;MM300490;CC(=CCO)N(N)C(=N)N;ODYDNDMDNBLNQQ-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300491;MM300491;C=C(C)C(C)=C(CN)CF;GUHJQHWXNKYVTE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300492;MM300492;CCC(C)NC(=O)C(C)C;UYGVTFVGFQHCDZ-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300493;MM300493;CCC(CC)=C(C)C(C)=O;HCCVFIRZGWSILY-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300494;MM300494;C=CCC(=O)NCC(C)C;WBHAQAGXIZEWHW-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300495;MM300495;CCC(CC)=C(C)C(=N)N;LQTACLGKJABUPS-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300496;MM300496;CCC=C(C)N(O)C(C)=N;QSVWRLDTVMCVPI-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300497;MM300497;CC(C(=N)N)=C(CN)CN;HQQURDJMDNRXCH-UHFFFAOYSA-N;142.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300498;MM300498;CC(=N)N(O)C(C)=CCO;OTWVJPGHJACCKW-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300499;MM300499;CC(C(=N)N)=C(CF)CF;YHIWZRGRDWIDKZ-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300500;MM300500;CC(=O)N(O)C(C)=CCO;QKIQDXKVGXKWNJ-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300501;MM300501;C#CC(C#N)ON=CC;WZZSAEFHWIOBES-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300502;MM300502;CCC=C(C)N(O)C(=N)N;MBIMVFBEOZLPTP-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300503;MM300503;CCC(CN)=C(C)C(N)=O;QRSDJUJEBAIQMI-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300504;MM300504;CC(=CCN)N(O)C(=N)N;HTFJXUSKLJGZLX-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300505;MM300505;CCc1cc(NC)n[nH]1;FINVJUQRESOHFX-UHFFFAOYSA-N;125.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300506;MM300506;COC=C(C)N(C)C(C)=O;LWXZQMTUDABGDH-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300507;MM300507;N=C(C=O)N1CC1C=O;RYQUWZZBASUEPA-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300508;MM300508;COC=C(C)N(N)C(=N)N;XLHPVYCSLSCLMN-UHFFFAOYSA-N;144.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300509;MM300509;CC(C(N)=O)=C(CN)CN;WSVQGMRSCHUQDE-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300510;MM300510;CC(=O)N(C)CCC(N)=O;ODNMHBATHDYXOC-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300511;MM300511;CC(C(N)=O)=C(CO)CO;WXVTYVAWKFXHBD-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300512;MM300512;COC=C(C)N(O)C(=N)N;ULZMYDCESIBCMI-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300513;MM300513;CCC(CC)=C(C)C(=O)O;IATSNLRWFOLGKU-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300514;MM300514;CCN=C(C)N(N)C(C)=N;REHMLDPAEPOVNA-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300515;MM300515;O=c1nnn(O)c(O)n1;PCARKIWSPSOPRS-UHFFFAOYSA-N;130.06;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300516;MM300516;CCN=C(C)N(N)C(=N)N;ZSNOAMOXYSTMRV-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300517;MM300517;CCC(CF)=C(C)C(=O)O;AJUAPMORZFIJOP-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300518;MM300518;C=C(CCC(C)F)C(N)=O;LVBLBRKTRLSRMJ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300519;MM300519;CC(C(=O)O)=C(CF)CF;LAGJJISWHPYIGO-UHFFFAOYSA-N;150.12;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300520;MM300520;CCN=C(C)N(O)C(=N)N;VJQQXHVEHMNZNS-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300521;MM300521;C=C(F)C(C)=C(CC)CC;LJAMZFUKVGBWPQ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300522;MM300522;CCN=C(C)N(O)C(N)=O;OQGJUIPIZBUFGA-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300523;MM300523;C=C(F)C(C)=C(CC)CN;OVJHZEMJSZRVMQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300524;MM300524;C=C(C)N(C)C(C)=NNC;SDIDKBUNRLAIFP-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300525;MM300525;C=C(F)C(C)=C(CN)CN;COVZNSQXHAPFFD-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300526;MM300526;CNN=C(C)N(C)C(=N)N;IAFOTJLQHZTITA-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300527;MM300527;C=C(F)C(C)=C(CN)CF;NHRQBMKJUHBZRH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300528;MM300528;C=CC(C)C(C)NC(C)=O;BQRFHIFDVPVODY-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300529;MM300529;C=C(C)C(F)=C(CC)CN;RWNZRDFOIPZPBW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300530;MM300530;CNN=C(C)N(N)C(=N)N;SZZLGJAOMFMIHT-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300531;MM300531;C=C(C)C(F)=C(CN)CN;DJPNDAAKTZSAFT-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300532;MM300532;C=C(C)C(F)=C(CN)CF;QLLWVTJUOSSWKU-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300533;MM300533;C=CCC(CC)NC(C)=O;GDCWLQXFSNEUEF-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300534;MM300534;CCC(CO)=C(F)C(C)=O;ANRAUNKAUQIBCN-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300535;MM300535;CNN=C(C)N(O)C(=N)N;KXPMPCXJVCGJJS-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300536;MM300536;CC(=O)C(F)=C(CO)CF;WXTCPGJCPOOZEJ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300537;MM300537;CON=C(C)N(N)C(=N)N;NTCKADKTYICNON-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300538;MM300538;C=C(F)C(F)=C(CO)CO;XXJAERDMEWOANI-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300539;MM300539;NC(=O)CCC=CCCO;VTNWMHADIHNVJF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300540;MM300540;CCC(NC)=C(C)C(=N)N;CUMRLTDFTPGEGQ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300541;MM300541;C=CC=C(C)C(C)C(=C)C;JVNXISCGGLEQGD-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300542;MM300542;CNC(CN)=C(F)C(N)=O;XZIXROPLNKYGSB-UHFFFAOYSA-N;147.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300543;MM300543;C=C(C)C(C)C(C)=CC#N;OBPRYAFMMQAALB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300544;MM300544;CCC(OC)=C(C)C(=N)N;KMYPEZVAECVUJU-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300545;MM300545;CNN=CON=CC(F)F;DJYGRYCCKWDVNI-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300546;MM300546;COC(CO)=C(C)C(=N)N;USYADMDUUZRNQU-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300547;MM300547;C=CC=C(C)C(C)C(=O)O;YSHITCDXWFDULG-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C1";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300548;MM300548;C=C(F)C(C)=C(CC)OC;XMFFZNLYOXJTCP-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300549;MM300549;CC(=CC#N)C(C)C(=O)O;ICONQGIFNRCUBO-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300550;MM300550;C#CC1(O)CC1CC(=O)O;JBDDELCEZWFJTJ-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300551;MM300551;CC(C(=N)N)C(N)=CC=O;QTSQCUPUBCJLDV-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300552;MM300552;CNC(OC)=C(C)C(=N)N;UPSOFLZINCJVCE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300553;MM300553;CC(C(=N)N)C(N)=CC#N;QIXNVYIKLQQBDD-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300554;MM300554;CON=CCC=CCO;NHUGHILNROBWLT-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300555;MM300555;CC(O)CC(C)(O)C(=O)O;KRFBSDVHHAKDTH-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300556;MM300556;CNC(OC)=C(F)C(N)=O;GJEIGGAATBNVTP-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300557;MM300557;Cc1onc(O)c1F;LWDJOADQGRUILB-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300558;MM300558;C=CC(CC)=C(C)C(=C)C;JVVWEXZQYJAABV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300559;MM300559;C=C(C)C(C)C(F)=CC=O;ZGXHNNTXLCOLOZ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300560;MM300560;C=C(C)C(C)=C(C#N)CC;KWURDZZJLZUIBF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300561;MM300561;C=CC=C(C)C(N)C(=C)C;JTBLUSAXVHBQEA-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300562;MM300562;C=NN=CCC=CCO;KJUZLFAZTUIGCQ-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300563;MM300563;CC(=CC#N)C(O)C(=N)N;IQOFYUXXCHQBKA-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300564;MM300564;C=CC(CC)=C(C)C(C)=O;PUWLTJRNXKWJGX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300565;MM300565;CC(=CC#N)C(O)C(N)=O;HGRCRXZKQUUDEJ-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300566;MM300566;C=CC(CC)=C(C)C(=N)N;ODNLDKKVHYSHHM-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300567;MM300567;C=C(C)C(O)C(N)=CC=O;RNEMGTZFTCEBHJ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300568;MM300568;CCC(C#N)=C(C)C(=N)N;UEYAOJMWRVVRJA-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300569;MM300569;N=C(N)C(O)C(N)=CC=O;HVUNIHIMIQLDOM-UHFFFAOYSA-N;143.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300570;MM300570;C=CC(CN)=C(C)C(=N)N;JMXLOZNRCMRKTA-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300571;MM300571;N#CC=C(N)C(O)C(=N)N;DUIHITXUMREZCZ-UHFFFAOYSA-N;140.15;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300572;MM300572;C=CC(CO)=C(C)C(=N)N;SVHJNOQLKKYZIX-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300573;MM300573;NC(=O)C(O)C(N)=CC=O;AXBSCCIOWYPUNI-UHFFFAOYSA-N;144.13;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300574;MM300574;CC(C(=N)N)=C(C#N)CO;NEVUMWJRGQVHIN-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300575;MM300575;CCN(C=O)CC(=O)O;WQDPAQKQYXNXDG-UHFFFAOYSA-N;131.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300576;MM300576;C=CC(CF)=C(C)C(=N)N;FZRBATJNGVKCSV-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300577;MM300577;CON=C(C(=O)O)C(C)C;YXTBWGQKJDONPL-UHFFFAOYSA-N;145.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300578;MM300578;CCOC=CCNC=O;AXHJULYTLVIDJJ-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300579;MM300579;CC(=O)C(O)C(F)=CC#N;ZOXOEJZDVBDWAI-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300580;MM300580;CC(C)(C)NC(=O)C=CN;QOUCHYNAZPKTLC-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300581;MM300581;CC#CC1C=CC(=O)N1;GJWCMBSVHSICKR-UHFFFAOYSA-N;121.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300582;MM300582;C=CC(C)(C)NC(=O)CC;KULOSVPEECFASF-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300583;MM300583;C=CC=C(C)C(F)C(C)=O;KGQDNYFMJIYULJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300584;MM300584;C=CC(CN)=C(C)C(N)=O;WJYVRUQDRLKTCK-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300585;MM300585;CC(=O)C(F)C(C)=CC=O;RHHVWAMLEULNLN-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300586;MM300586;CCCC(C)(F)CNC=O;OULVTOYICNWCIH-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300587;MM300587;CC(=CC=O)C(F)C(N)=O;YGXPBLUIFLQPEQ-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300588;MM300588;CC(C(N)=O)=C(C#N)CO;LEWTXZXVDQIBFC-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300589;MM300589;C=CC=C(F)C(F)C(C)=O;NUEVDTFUQNSMSE-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300590;MM300590;CC(NC=O)C(C)(C)CF;LVXVNSINVVOIFH-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300591;MM300591;N#CC=C(F)C(F)C(=O)O;ZOKUVDIGDJZCHW-UHFFFAOYSA-N;147.08;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300592;MM300592;C=CC(CC)=C(C)C(=O)O;YRHYTZWDUVJFIB-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300593;MM300593;C=NN=C(C)C(C)C(=N)N;CZEXDILSLUCJEX-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300594;MM300594;CCC(C#N)=C(C)C(=O)O;RVSOJFLVBZHLMX-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300595;MM300595;C=NN=C(C)C(N)C(=N)N;IHETXFIRIKAWHH-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300596;MM300596;CONC(=O)C(C#N)CO;MRDZHAKKJVRRDP-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300597;MM300597;C=NN=C(C)C(O)C(=N)N;MTZAYMVFEFMFQP-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300598;MM300598;C=CC(CF)=C(C)C(=O)O;UMZALDZHEKJKSF-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300599;MM300599;C=NN=C(C)C(F)C(C)=O;GAESUGRQYDKASN-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300600;MM300600;C=C(F)C(C)=C(C#N)CC;ZBDJBUKXFANRKC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300601;MM300601;C=NN=C(C)C(F)C(N)=O;CCZWCSRTKNWVSS-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300602;MM300602;C=CC(CN)=C(C)C(=C)F;KIBNWYIREBURLS-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300603;MM300603;CC(=N)N(C)C(C)=CC#N;FNULFLPTRRUQCF-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300604;MM300604;C=CC(CO)=C(C)C(=C)F;PVTUNAJYXZDQCH-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300605;MM300605;CC(=CC=O)N(C)C(=N)N;UHOLKENYBITCLC-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300606;MM300606;C=C(F)C(C)=C(C=O)CO;OJFNROPMHXUBHY-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300607;MM300607;CC(=N)N(C)C(N)=CC=O;HWKWSSAIXIAALO-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300608;MM300608;C=C(F)C(C)=C(C#N)CO;WJOSGLDKEWRTIZ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300609;MM300609;CC(=O)N(C)C(N)=CC=O;KKMFQRPPIULIBG-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300610;MM300610;CC(=O)C(N)=C(C=O)CF;MRYNINGCLBUYPO-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300611;MM300611;CN(C(N)=O)C(N)=CC=O;ASFYRZZHCJYVGO-UHFFFAOYSA-N;143.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300612;MM300612;CCC(C=O)=C(N)C(=N)N;YRYHNQJYSHQKKY-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300613;MM300613;C=CC=C(C)N(N)C(C)=O;ALOPBUCZGHAYDT-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300614;MM300614;N=C(N)C(N)=C(C=O)CO;XHHOPMSLWSQEEJ-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300615;MM300615;C=CC=C(C)N(N)C(=N)N;JCYUQAZKMCBOAG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300616;MM300616;N#CC(CF)=C(N)C(N)=O;FXMNFACFLWOKSS-UHFFFAOYSA-N;143.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300617;MM300617;C=CC=C(C)N(O)C(=N)N;XOWHQWVBRORKNN-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300618;MM300618;C#CC1(CO)CC1C(=O)O;KPSAEFLNSABESP-UHFFFAOYSA-N;140.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300619;MM300619;CC(=O)N(O)C(N)=CC=O;ILSLPIBYIPHLQA-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300620;MM300620;N#CCc1ncc(O)o1;QRWHPSDHYFPQPJ-UHFFFAOYSA-N;124.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300621;MM300621;NC(=O)N(O)C(N)=CC=O;SVYHRPHYNOTPNN-UHFFFAOYSA-N;145.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300622;MM300622;C=C(C)N(C)C(C)=NC=O;NKGHFLUCYNAACD-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300623;MM300623;Nc1onc(O)c1F;OXXRYYMEEOPAIP-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300624;MM300624;CC(=N)N(C)C(C)=NC=N;ZAQMXGFELLMAFE-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300625;MM300625;C=C(F)C(N)=C(C=O)CO;KHIRVPVJBXGDDU-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300626;MM300626;CC(=O)N(C)C(C)=NC=O;WRDKQHMZGNOTFD-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300627;MM300627;C=CC(CN)=C(F)C(=C)C;AKQWARIOYUIEIC-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300628;MM300628;CC(=NC=N)N(C)C(=N)N;WRAVWHXMLWFKJK-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300629;MM300629;C=CC(CC)=C(F)C(C)=O;FHUFVQGVWUUOGW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300630;MM300630;CC(=NC=O)N(C)C(=N)N;LNZVTHSJBSAESK-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300631;MM300631;CCC(C=O)=C(F)C(C)=O;FXXMPIIKOHFZOX-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300632;MM300632;CON=CON=CC(F)F;MEIYEUIRFGBYMP-UHFFFAOYSA-N;152.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300633;MM300633;CC(=O)C(F)=C(C=O)CO;SJKHDRVPCRHUFJ-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300634;MM300634;CC(=NC=O)N(C)C(N)=O;FZYBDNQOVAEBFE-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300635;MM300635;C#CC1C=CC(=O)N1;IVPBEUGZHMEIAH-UHFFFAOYSA-N;107.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300636;MM300636;CC(=NC=N)N(N)C(=N)N;GQXITRXDTWOTAW-UHFFFAOYSA-N;142.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300637;MM300637;C=CC(CN)=C(F)C(=C)F;QZBFYFFPXZXEES-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300638;MM300638;CC(=NC=O)N(N)C(=N)N;NGRJTIKYJULISP-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300639;MM300639;CN(C)N=CCC=CCO;NJFJUIDDHOOEIS-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300640;MM300640;CC(=NOCC=O)OC=O;PPIVAXRWLVIFIT-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300641;MM300641;CNC(C=O)=C(N)C(C)=O;NAZCGEHWNOYEKW-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300642;MM300642;CC(=CCCCF)C(N)=O;VQIXCUCRIAZBBQ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300643;MM300643;C=C(C#CC)CCNC=O;BYZXPBRLNACJIV-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300644;MM300644;CC(=NC=N)N(O)C(=N)N;NHLUWNKZOOOXAT-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300645;MM300645;CNC(C=O)=C(N)C(=N)N;JDCKMIKUJYBLIS-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300646;MM300646;CC(=NC=O)N(O)C(=N)N;YVAIHPYFEZQAIG-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300647;MM300647;CNC(C#N)=C(N)C(=N)N;QOIFZDIRXIMEOI-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300648;MM300648;C=NN=C(C)N(C)C(=C)C;QQYCVGXFQBRNOX-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300649;MM300649;CON=C(C)CC=CCO;PBCWEJFBXLCZGR-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300650;MM300650;C=NN=C(C)N(C)C(C)=O;LVSPOECWBNWOPA-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300651;MM300651;C#CCc1ncc(O)o1;KJBIKMODTJWLPK-UHFFFAOYSA-N;123.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300652;MM300652;C=NN=C(C)N(C)C(=N)N;HCHGBIIUZMHCCP-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300653;MM300653;CNC(C#N)=C(F)C(C)=O;RXBSHKVUEJTWKR-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300654;MM300654;C=NN=C(C)N(N)C(=C)C;ZJVSBWRCAYNLOV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300655;MM300655;C=CC(NC)=C(F)C(N)=O;OWFSMQDSYYRGFF-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300656;MM300656;C=NN=C(C)N(N)C(=N)N;SXXNIXVRKMLJIX-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300657;MM300657;ON=c1[nH]c(O)c(O)o1;BVPLCIHSMFYKKG-UHFFFAOYSA-N;132.08;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300658;MM300658;C#CC=C(C)C(C)C(=C)C;DSFSPPLIFMMVSG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300659;MM300659;C=CC(OC)=C(C)C(=C)C;XBPFDMQZBBJBLS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300660;MM300660;C#CC=C(F)C(N)C(=N)N;OUKPZQOKJCINLC-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300661;MM300661;C=C(C)C(C)=C(C#N)OC;IYVKDKLBLJYXNQ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300662;MM300662;CNN=CC(=O)O;LPYZGSLBVZKFNY-UHFFFAOYSA-N;102.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300663;MM300663;COC(C#N)=C(C)C(C)=O;JQXLQFDASXKBAZ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300664;MM300664;C#CC=C(F)C(O)C(C)=O;MKUKLWKQVKLGPP-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300665;MM300665;C#CC=C(F)C(O)C(N)=O;XTAQPPSFDKDIEI-UHFFFAOYSA-N;143.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300666;MM300666;COC(C#N)=C(C)C(=N)N;DFPBFFDLLXUUSI-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300667;MM300667;C#CC=C(C)C(F)C(C)=O;YMTIRAZIGBZUNZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300668;MM300668;COC(C=O)=C(N)C(=N)N;QLWQIFDEVRPDLE-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300669;MM300669;C#CC=C(C)N(C)C(C)=N;CGOBAQJJTNNMCL-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300670;MM300670;C=C(F)C(N)=C(C=O)OC;VAAHAOLWKXZDPY-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300671;MM300671;C#CC=C(C)N(C)C(=N)N;SCORFASQNRWRIX-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300672;MM300672;C=C(F)C(N)=C(C#N)OC;YKEDZSCTUUIXLW-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300673;MM300673;C#CC=C(C)N(C)C(N)=O;ILLIAYHVOPAADT-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300674;MM300674;COC(C#N)=C(F)C(C)=O;JJDYLSJJFYHKBG-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300675;MM300675;C=C(C(C)=CCC)C(C)C;PKPSKIAJUNQXDV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300676;MM300676;O=Nc1c[nH]c(=NO)o1;KLQYYVTZEOBLKW-UHFFFAOYSA-N;129.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300677;MM300677;C=C(C(C)=CCN)C(C)C;MMTOIADUJAJQDX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_N0";;;;;;;2.87;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300678;MM300678;C#CC(CC)=C(C)C(=C)C;RISNCRWSOBJSND-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300679;MM300679;C=C(C(C)=CCN)C(C)N;HERIYSDTOLAXMZ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300680;MM300680;C#CC(CC)=C(C)C(C)=O;HGORXVOFIXZYEM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300681;MM300681;C=C(C(C)=CCO)C(C)N;VFIBNFIHZUCRBZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300682;MM300682;C#CC(CO)=C(C)C(C)=O;DUBKAVSPCPIMMT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300683;MM300683;COCC(N)=C(C)C(N)=O;APJGTUHOLLAZFB-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300684;MM300684;C#CC(CC)=C(C)C(=N)N;RRXQRFJHLDYKBG-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300685;MM300685;C=C(C(C)=CCN)C(C)O;ZVHXEWPMLUKXNN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300686;MM300686;C#CC(CN)=C(C)C(=N)N;UGYLMJLLDLURAE-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300687;MM300687;C=C(C(C)=CCC)C(C)F;QIGMYOIRMLOYHB-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300688;MM300688;C#CC(CO)=C(C)C(=N)N;RPNCFBGHNPECBM-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300689;MM300689;C=C(C(F)=CCN)C(C)N;DDWCGTQVNHMKEH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300690;MM300690;C#CC(CF)=C(C)C(=N)N;RXEDEDCHDSMDFJ-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300691;MM300691;CCC=C(C)C(=O)C(C)C;OPHQAWOWJGXMST-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300692;MM300692;C=NN(CC)C(=O)C(C)F;UZAWBYHNPUCRMQ-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300693;MM300693;CC(=CCF)C(=O)C(C)C;FBFJZRIPRKSYHB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300694;MM300694;C#CC(CN)=C(C)C(N)=O;RNEOBGYIKBSOHU-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300695;MM300695;CC(=CCF)C(=O)C(C)F;PGULZJFIHYIROU-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300696;MM300696;C#CC(CO)=C(C)C(N)=O;VOQYMYHZFRMVHI-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300697;MM300697;CNC=C(C)C(=O)C(C)C;ODRYOHWBIPWRKD-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300698;MM300698;CC(F)C(C)C(C)NC=O;TYDHCDHFZDMXQQ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300699;MM300699;CNC=C(F)C(=O)C(C)C;BWZPIVLSBYWANY-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300700;MM300700;C#CC(CC)=C(C)C(=C)F;PFTGICZTNLLLBJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300701;MM300701;CNC=C(F)C(=O)C(C)O;QSXMPNNUHSSGJG-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300702;MM300702;C=C(C(C)=COC)C(C)N;MLOAKGFRJAEDFM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300703;MM300703;C#CC(CN)=C(C)C(=C)F;QCVVBAIUUQLGNY-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300704;MM300704;COC=C(F)C(=O)C(C)O;HDFLPJNYSRLIBU-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300705;MM300705;C#CC(CF)=C(C)C(=C)F;OQKYMLHICWMNFY-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300706;MM300706;C=C(C(C)=NNC)C(C)N;ABPDSPCJJMOABK-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300707;MM300707;C#CC(CC)=C(F)C(=C)C;DFUYHJKSDQYBQG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300708;MM300708;CN(C=O)CC(C=O)CF;XJRJHDRIRQMXHK-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300709;MM300709;C#CC(CO)=C(F)C(=C)C;YQSILOPBQUOTAB-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300710;MM300710;CNN=C(C)C(=O)C(C)O;AAHMFBGCOHLVKW-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300711;MM300711;C#CC(CC)=C(F)C(C)=O;VCQFFNOTULXINH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300712;MM300712;CON=C(C)C(=O)C(C)C;BXBWBXVXZOEOHQ-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300713;MM300713;C#CC(CC)=C(F)C(=O)O;MUOYRCKVQGULQZ-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300714;MM300714;CON=C(C)C(=O)C(C)O;QCSTYBXJALUNKZ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300715;MM300715;C#CC(CO)=C(F)C(=C)F;XQJBABCOXZLHBS-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300716;MM300716;CCC=C(C)C(=N)N(C)C;DIAYJEVTKMKXPC-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300717;MM300717;CC(C)C(CCF)NC=O;PTAFRNYFFSPVBQ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300718;MM300718;CC(=CCN)C(=N)N(C)C;LPEIFRCUKDTRIQ-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300719;MM300719;Cc1nn(O)c(F)c1O;ZWEQDFFEFCGJHU-UHFFFAOYSA-N;132.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300720;MM300720;CCC=C(C)C(=N)N(C)N;OGGZHDLGCPBBOP-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300721;MM300721;C#CC(NC)=C(F)C(C)=O;GPTNCPCYRCBEJT-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300722;MM300722;CC(=CCF)C(=N)N(C)N;JUNIKJJVDSBMGX-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300723;MM300723;C#CC(OC)=C(C)C(=C)F;ICVADKJZWZJZNV-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300724;MM300724;CN(C)C(=N)C(F)=CCN;VHOWKHSXLZQHND-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300725;MM300725;C=CC(C=C)=C(C)C(=C)C;KACNVMXIHDDCBF-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300726;MM300726;CC(=CCF)C(=O)N(C)N;ATXCTBJCKLHHMZ-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300727;MM300727;C=CC(C=O)=C(C)C(=C)C;QPNSLCLJOHITCG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300728;MM300728;CC(=CCF)C(=O)N(C)O;WLMZUZYJHGKWFQ-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300729;MM300729;C=CC(C#N)=C(C)C(=C)C;IXHNJYNBUXVRSA-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300730;MM300730;CN(C)C(=O)C(F)=CCN;OZOPSISBKVJTSI-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300731;MM300731;C=C(C)C(C)=C(C=O)C=O;LYVWHPHHYVXEFV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300732;MM300732;CN(C)C(=O)C(F)=CCO;XZHDLXWUZXJWBP-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300733;MM300733;C=CC(C=C)=C(C)C(C)=O;PTNXOTNBDVMKPQ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300734;MM300734;CN(N)C(=O)C(F)=CCF;FZFRZMSZBFXYPM-UHFFFAOYSA-N;150.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300735;MM300735;CC(=O)C(C)=C(C=O)C=O;CRGONKIUPUMDHG-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300736;MM300736;CNC=C(C)C(=N)N(C)N;RMEVRFUXSDYLOH-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300737;MM300737;C=CC(C=C)=C(C)C(=N)N;QNMAVPMRPBEZNE-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300738;MM300738;CNC=C(C)C(=N)N(C)O;OIGKLJVTPVLHAN-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300739;MM300739;C=CC(C=O)=C(C)C(=N)N;DYVZFURMALWAGR-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300740;MM300740;C=CC(=O)NC(CC)CC;PRGKZCRTOFVKKT-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300741;MM300741;C=CC(C#N)=C(C)C(=N)N;XQWPIIYTBMNEKF-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300742;MM300742;COC=C(C)C(=N)N(C)C;JVTJDRYZVZNFNQ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300743;MM300743;COCC(C(N)=O)=C(N)N;QNMHKFAMVAKLHU-UHFFFAOYSA-N;145.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300744;MM300744;CNN=C(C)C(=N)N(C)C;RNLCMJXAFHDCQL-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300745;MM300745;CNC(=NC(=O)CF)OC;KGZLAPVLAJMNRA-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300746;MM300746;CCN(C=O)CCC(N)=O;CQXVIQPAXKTIGI-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300747;MM300747;C=CC(C=C)=C(C)C(=O)O;BVEINPOIMZOSQW-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300748;MM300748;C=CC=C(C)C(=C)C(C)C;MAZOHSMWEZYMCB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300749;MM300749;C=CC(C#N)=C(C)C(=O)O;KKBOAHVAMXRUPK-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300750;MM300750;C=C(C(C)=CC=O)C(C)C;OJPWDQUARREPJG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300751;MM300751;C=C(C(C)=CC#N)C(C)C;HQFUPXPAZTZYHZ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300752;MM300752;CC(C(=O)O)=C(C#N)C#N;NWGJSPRVHSTRED-UHFFFAOYSA-N;136.11;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300753;MM300753;C=C(C(N)=CC#N)C(C)F;YTYKJVCSRIIKQL-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300754;MM300754;C=CC(C=C)=C(C)C(=C)F;AVJJJJPUKPNJJA-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300755;MM300755;C=C(C(F)=CC#N)C(C)C;ADDSKEDUGQFETA-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300756;MM300756;C=CC(C=O)=C(C)C(=C)F;MNCRPQSIJAOCCL-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300757;MM300757;C=CC=C(C)C(=O)C(C)O;XNCAUDWEXAJXGE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300758;MM300758;C=CC(C#N)=C(C)C(=C)F;DCZOJOMTPZALED-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300759;MM300759;C=CC=C(C)C(=O)C(C)F;FBYUGSDOJXFCTK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300760;MM300760;C=C(F)C(C)=C(C#N)C=O;TXYCFCKVSXIMRB-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300761;MM300761;CC(F)C(=O)C(N)=CC=O;CUJMZDMNRQHGIK-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300762;MM300762;C=C(F)C(C)=C(C#N)C#N;HJBWWEXLKZQDIL-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300763;MM300763;C=CC1(CCC(N)=O)CO1;MWDORAXCQYWMNF-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300764;MM300764;C=C(C)C(N)=C(C=O)C=O;VMQCHMHKLMDGCJ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300765;MM300765;NC(=CC=O)C(=O)C(F)F;XKCZXMCGJVNBNW-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300766;MM300766;CC(=O)C(N)=C(C#N)C=O;IZQVYMRLQXBVTG-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300767;MM300767;N#CC=C(F)C(=O)C(F)F;XCVOCIIKLDWKIC-UHFFFAOYSA-N;149.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300768;MM300768;C=CC(C#N)=C(N)C(=N)N;SYKDHNZHIDDYGU-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300769;MM300769;C=NN=C(C)C(=C)C(C)N;DPIQGRSOCOOKHQ-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300770;MM300770;N#CC(C=O)=C(N)C(=N)N;KZWGCZKXXJOIOQ-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300771;MM300771;C=NN=C(C)C(=O)C(C)O;PUPWJSNZXIUXTM-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300772;MM300772;C=NOCC(=O)CCC=O;IECWPDHWJLDQLA-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300773;MM300773;C=CC=C(C)C(=O)N(C)O;ZKRKVESSXSDIDK-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300774;MM300774;NC(=O)C(N)=C(C=O)C=O;XDLZNXGGOADGNZ-UHFFFAOYSA-N;142.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300775;MM300775;CC(=CC=O)C(=O)N(C)O;OISBHCVWCWAHTQ-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300776;MM300776;N#CC(C=O)=C(N)C(N)=O;MMYFRJUCCSORAY-UHFFFAOYSA-N;139.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300777;MM300777;CN(O)C(=O)C(N)=CC=O;GUTHBIXPTOJAOD-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300778;MM300778;C=CC(C#N)=C(N)C(=C)F;BHCYZVULYOWOLI-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300779;MM300779;C=NN=C(C)C(=N)N(C)C;SVINVNBUCWOMES-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300780;MM300780;C=C(F)C(N)=C(C#N)C=O;SPRATYXFWKPWRB-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300781;MM300781;C=NN=C(C)C(=O)N(C)C;CQHAGIYWBIYZEU-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300782;MM300782;C=C(F)C(N)=C(C#N)C#N;VADYJKOZWKZDSA-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300783;MM300783;C#CC=C(C)C(=C)C(C)C;VVYBNJBZKOZYGH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300784;MM300784;C=CC(C=C)=C(F)C(=C)C;JJXBTYGWJSBOMO-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300785;MM300785;C#CC=C(C)C(=C)C(C)F;MHDJSJVPKQQBHP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300786;MM300786;C=CC(C#N)=C(F)C(=C)C;BLRRWJPIZWLIKZ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300787;MM300787;C#CC=C(F)C(=C)C(C)C;HHZQPKQVFOBPQW-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300788;MM300788;C=C(C)C(F)=C(C#N)C#N;YYMWNAJBWJGYBX-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300789;MM300789;C#CC=C(C)C(=O)C(C)F;QYCHMSXITHFKHL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300790;MM300790;CC(=O)C(F)=C(C=O)C=O;AESJAOYHYDRNBX-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300791;MM300791;C#CC=C(F)C(=O)C(C)O;KDHSAKADNJBMHW-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300792;MM300792;CC(=O)C(F)=C(C#N)C#N;CINWOBORJBGWBF-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300793;MM300793;CNN=CC=CC(=O)CF;PLZQJLFTSDIIIM-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300794;MM300794;C=CC(C#N)=C(F)C(=C)F;OCJWCYVERXWGON-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300795;MM300795;C#CC=C(C)C(=O)N(C)C;DKWBKGWUJIJYRW-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300796;MM300796;C=C(F)C(F)=C(C#N)C#N;DBZWIAUFXRDVJH-UHFFFAOYSA-N;140.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300797;MM300797;C=C(C)C(=C)C(C)=CCC;ZGOFFMMQMIHUSI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300798;MM300798;C#CC(C=C)=C(C)C(=C)C;SYMAYRZGNFFYSY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300799;MM300799;C=C(C(C)=O)C(C)=CCF;OWEJTMYMPQXXOL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300800;MM300800;C#CC(C=O)=C(C)C(=C)C;LHECIEXOZRLPPU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300801;MM300801;C=C(C(=N)N)C(C)=CCC;RWUQDYQCVADWLD-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300802;MM300802;C#CC(C=O)=C(C)C(C)=O;LQGHCQNLBJLIRG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300803;MM300803;C=C(C(N)=O)C(C)=CCN;RKTKYNJWPQRRCS-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300804;MM300804;C#CC(C#N)=C(C)C(C)=O;RILILICYWNHAGS-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300805;MM300805;C=C(F)C(=C)C(C)=CCN;JQCFUDIFCSKICW-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300806;MM300806;C#CC(C=C)=C(C)C(=N)N;CWJWXAPYDCPCDS-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300807;MM300807;C=C(C(=N)N)C(F)=CCO;MCSNSBRINCAPJF-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300808;MM300808;C=COCC(=C)CNC=O;QLOBAFAZWJHOPB-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300809;MM300809;C=C(C(N)=O)C(F)=CCO;XIIYPQCYGVHUBT-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300810;MM300810;C#CC(C=C)=C(C)C(=O)O;ZOFNBYBVIDVXEW-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300811;MM300811;C=C(C)C(=O)C(C)=CCF;USERYIUHWBZFPK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300812;MM300812;C#CC(C#N)=C(C)C(=O)O;YYLOYUBNHZDHRK-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300813;MM300813;CC(=CCO)C(=O)C(N)=O;JNUFFAWVJHTYKY-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300814;MM300814;C#CC(C=C)=C(C)C(=C)F;YOMLEWXRSSJARZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300815;MM300815;CCC=C(F)C(=O)C(=N)N;HJFCCBHASYRUPL-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300816;MM300816;C#CC(C=O)=C(C)C(=C)F;BBTSAOIDXZFYDV-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300817;MM300817;C=CC(=CCOC)C(N)=O;BVJRWQDZPRAIOC-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300818;MM300818;C#CC(C#N)=C(C)C(=C)F;ULSYTUNDSWLLSI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300819;MM300819;N=C(N)C(=O)C(F)=CCF;UERHADSFGOQAQJ-UHFFFAOYSA-N;148.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300820;MM300820;NC(=O)C(=O)C(F)=CCO;CCFQCPTWHIWTLD-UHFFFAOYSA-N;147.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300821;MM300821;C#CC(C#N)=C(N)C(=N)N;PDCNHHSTGBHAPB-UHFFFAOYSA-N;134.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300822;MM300822;NN=C(CC(=O)O)C(N)=O;KHUVBIJQYSANQK-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300823;MM300823;C#CC(C=O)=C(N)C(N)=O;DHBVTMOLHBBRPC-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300824;MM300824;CNC=C(C)C(=O)C(C)=O;NBVWRXDKZANOCC-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300825;MM300825;C#CC(C#N)=C(N)C(N)=O;WYFVRSPJAAHXFN-UHFFFAOYSA-N;135.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300826;MM300826;CNC=C(C)C(=O)C(N)=O;SVDPGLJTUOAPNA-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300827;MM300827;C#CC(C#N)=C(N)C(=C)F;JPRBLYQJOSZJEZ-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300828;MM300828;C=C(C(=N)N)C(C)=COC;RJVUVVWAOCYLKI-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300829;MM300829;C#CC(C=C)=C(F)C(=C)C;GZNSDFCAAMEUOG-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300830;MM300830;COC=C(C)C(=O)C(=N)N;XQRNVHIMTDYQGR-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300831;MM300831;C#CC(C=O)=C(F)C(=C)C;TUUUHSVFKCMQGU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300832;MM300832;COC=C(C)C(=O)C(N)=O;QLEJAIMWSCOICC-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300833;MM300833;C#CC(C#N)=C(F)C(=C)C;LVPFMTATMPWUBZ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300834;MM300834;N=c1nn[nH]ccc1=NN;BREINCGFHNPPEI-UHFFFAOYSA-N;138.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300835;MM300835;C#CC(C=O)=C(F)C(C)=O;KULCHJAMYQNNPN-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300836;MM300836;COC=C(F)C(=O)C(=N)N;ICHFLVWXWZVHOA-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300837;MM300837;C#CC(C#N)=C(F)C(C)=O;QFFDQEGLJQBPGQ-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300838;MM300838;C=C(C)C(=C)C(C)=NNC;WGOUSGKIEQOALK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300839;MM300839;C#CC(C=C)=C(F)C(N)=O;YZNMMQINDLYVEC-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300840;MM300840;C=C(C(=N)N)C(C)=NNC;JXVWYNJILUBDCJ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300841;MM300841;C#CC(C=C)=C(F)C(=C)F;QZLRKTQMCCWESR-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300842;MM300842;Cc1c(N)[nH]c(C=O)c1C;WRDXLBACYPMNTM-UHFFFAOYSA-N;138.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300843;MM300843;C#CC(C#C)=C(C)C(=C)F;SLGBVCVRVSUKAF-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300844;MM300844;C=C(C)C(=C)C(C)=NOC;FRKZMGIQYDYRSO-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300845;MM300845;C#CC(C#C)=C(F)C(=C)C;FFKKXIZKKPSRMZ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300846;MM300846;CC1C(C#N)=NNC1C=O;RGYQPNZOAPJPIT-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300847;MM300847;CC(N)C(C)CCCCN;IDCVCNQKPCATGI-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300848;MM300848;C=C(C)C(=O)C(C)=NOC;DKRHIUWKCLIPHJ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300849;MM300849;CC(N)C(C)CCCCO;NJHQKTUSZHPCBD-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300850;MM300850;CCc1n[nH]c(CC)c1C;ZLCADPDOQZLZBH-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300851;MM300851;CC(N)C(C)CCCCF;GUFUJZICTKQQBQ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300852;MM300852;CON=C(C)C(=O)C(N)=O;QEJPPDMDDZAYSB-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300853;MM300853;C=COC=C(C)CNC=O;QPBGPTIMRDYIRT-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300854;MM300854;C=CC=C(C)C(=C)C(C)=O;HHANYOSJTSAZCO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300855;MM300855;CC(O)C(C)CCCCN;RFJCRIWTWWSVOL-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300856;MM300856;C=C(C(C)=O)C(C)=CC#N;CSTDYGLEGMIOIQ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300857;MM300857;CC=NNC(N)=C(F)C#N;NKHOMTLEYNWRRY-UHFFFAOYSA-N;142.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300858;MM300858;C#Cc1n[nH]c(C#C)c1N;UPTRTCVUXBWZHM-UHFFFAOYSA-N;131.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300859;MM300859;CCCCCC(C)C(C)F;YHIDMTNJVCIEKN-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300860;MM300860;C=C(C)C(=C)C(N)=CC=O;DFVXFNYAYRWLQI-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300861;MM300861;CC(F)C(C)CCCCN;BEVQSCHNBQCMGJ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300862;MM300862;C=CC=C(F)C(=C)C(=C)C;SAKDBSFBYFHNDX-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300863;MM300863;CC(F)C(C)CCCCF;CCSFMAJNSYMOPZ-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300864;MM300864;C=CC=C(C)C(=O)C(=C)C;CQENXDJPKHYULZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300865;MM300865;CCCCCC(N)C(C)C;YDQDYRULQZSMES-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300866;MM300866;C=C(C)C(=O)C(C)=CC#N;HUCJGQNFXRXWFY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300867;MM300867;CC(C)C(N)CCCCN;MJGBGTHGUZRICU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300868;MM300868;CC(=CC=O)C(=O)C(N)=O;JOHAYVPOHQLCLT-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300869;MM300869;CC(C)C(N)CCCCO;NJZYYSZWLXZCIV-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300870;MM300870;CC=NOC=NOCC=O;NIOGVGCHAKMMFP-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300871;MM300871;CC(C)C(N)CCCCF;PPPXGOVFWIOUAA-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300872;MM300872;NC(=O)C(=O)C(N)=CC=O;INKUIXQPGXQUGZ-UHFFFAOYSA-N;142.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300873;MM300873;CC(N)C(N)CCCCF;XDDZLRNICQRBEU-UHFFFAOYSA-N;148.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300874;MM300874;C=C(F)C(=O)C(N)=CC=O;LUGLBLUHHCGJMI-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300875;MM300875;CCCCCC(N)C(C)O;ZSPFVQUYVKGZEN-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300876;MM300876;C=C(F)C(=O)C(N)=CC#N;SLXHITPMHSETEZ-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300877;MM300877;CC(O)C(N)CCCCO;KCRLDNSFRBXAQD-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300878;MM300878;C=CC=C(F)C(=O)C(=C)C;DTCLCKZGVQOQCP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300879;MM300879;CC(F)C(N)CCCCF;JGTWQVCWJWRHSY-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300880;MM300880;C=C(C)C(=O)C(F)=CC#N;BXXSDHCEZRMFCF-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300881;MM300881;CC(C)C(O)CCCCN;ASMZMUJVXRXMJT-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300882;MM300882;CC(=O)C(=O)C(F)=CC#N;POKGGRXQDNWMIB-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300883;MM300883;CCN=C(C#N)NCC=O;XUOPFZMVDFPYSM-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300884;MM300884;C=CC=C(F)C(=O)C(=N)N;IMUNZUCUGKIPHL-UHFFFAOYSA-N;142.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300885;MM300885;CC(N)C(O)CCCCO;RCLPYXQKFZCGDT-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300886;MM300886;N=C(N)C(=O)C(F)=CC=O;XCVYILQUDPHEFF-UHFFFAOYSA-N;144.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300887;MM300887;CC(O)C(O)CCCCN;PUBXDICBUFNDER-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300888;MM300888;C=CC=C(F)C(=O)C(N)=O;OWHUOPGMXRODQU-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300889;MM300889;CC(O)C(O)CCCCO;SMLIVCCRDGPXOT-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300890;MM300890;C=C(C)C(=O)NC;WFKDPJRCBCBQNT-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300891;MM300891;CCCCCC(F)C(C)C;KAAYTWYYPNGWDO-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300892;MM300892;C=CC(=C)CNC=O;MJCJBHDUPQZIIQ-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300893;MM300893;CC(C)C(F)CCCCN;UWCPUWSBTWPCGV-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300894;MM300894;Nn1nc(O)oc1=NO;FBRGMCRMLLPISV-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300895;MM300895;CC(N)C(F)CCCCO;OKYHMIXRCLEIPC-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300896;MM300896;C=NN=C(C)C(=O)C(=C)C;JVQDOZPPYGTKGX-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300897;MM300897;CC(N)C(F)CCCCF;MEYCSSCQBKTHQA-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300898;MM300898;C=NN=C(C)C(=O)C(C)=O;NOCOJZXFDFCYNM-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300899;MM300899;CNCCCC(C)C(C)N;GAQPMWHVFOEVGA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300900;MM300900;C#CC=C(C)C(=C)C(=N)N;SUBSBMBIBBVBTR-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300901;MM300901;CNCCCC(C)C(C)O;MBADVRPSZFGAPX-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300902;MM300902;CCc1c[nH]nc1C;AKMKVZRXJNFPCF-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300903;MM300903;CNCCCC(C)C(C)F;VVJKBVOWSFZKQD-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300904;MM300904;C#CC=C(F)C(=C)C(C)=O;IJOFRDNKFSNYGT-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300905;MM300905;CNCCCC(N)C(C)C;ZTPIPJMIXPTZAO-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300906;MM300906;C#CC=C(F)C(=C)C(N)=O;DPTFXENYCQKEQM-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300907;MM300907;CNCCCC(N)C(C)O;HPOJQJWZTLNPRE-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300908;MM300908;C#CC=C(C)C(=O)C(=C)C;SHPPIWXFHVPCLX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300909;MM300909;CNCCCC(O)C(C)C;HVQVTKXYKHIOLP-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300910;MM300910;C#CC=C(C)C(=O)C(C)=O;ACAXMGZMTFOGSH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300911;MM300911;CNCCCC(O)C(C)O;DQQXTNZYZQIMRQ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300912;MM300912;C#CC=C(F)C(=O)C(=N)N;QIDNLUATBHYQRT-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300913;MM300913;CNCCCC(F)C(C)C;ICGDYRABSDLMLR-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300914;MM300914;C#CC=C(F)C(=O)C(=O)O;VQACTSBLIKQQOJ-UHFFFAOYSA-N;142.09;0.13;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300915;MM300915;CNCCCC(F)C(C)N;KGZQIHLWNSFGGH-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300916;MM300916;CCCC(C)C(C)=C(C)C;MHUXNPMWLIOVRL-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300917;MM300917;COCCCC(N)C(C)O;HVQOPYXLEYFFGK-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300918;MM300918;CC(F)=C(C)C(C)CCN;ARZMUWWNDNGSQF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300919;MM300919;COCCCC(O)C(C)N;AFTVBBBHGUKIOH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300920;MM300920;NC(=O)CCCCC=O;UMQZADTVAIXLJE-UHFFFAOYSA-N;129.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300921;MM300921;COCCCC(O)C(C)O;LKQJAIQYRCHMTM-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300922;MM300922;CCCC(N)C(C)=C(C)C;HFXYJXAIZXJXOM-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300923;MM300923;CCNCCC(C)C(C)C;LHXURENIDCEHEL-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300924;MM300924;CC(C)=C(C)C(N)CCO;SJURCQSPGCRYHN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300925;MM300925;CCNCCC(C)C(C)N;WNBPISFOVICIEY-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300926;MM300926;CC(C)=C(C)C(N)CCF;IBSYUYKZKQHRJL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300927;MM300927;CCNCCC(C)C(C)O;KPMIEHIHLHSQGI-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300928;MM300928;CCCC(N)C(C)=C(C)F;BUWCWXHEJBDKPZ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300929;MM300929;CCNCCC(C)C(C)F;VXFMRUPGZGPYKC-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300930;MM300930;CCCC(O)C(C)=C(C)F;FJGDMMYBHFHFGD-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300931;MM300931;CCNCCC(N)C(C)C;UAEZWFYDHKZPPI-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300932;MM300932;CC(F)=C(C)C(O)CCF;LQONUVHLVMHUDY-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300933;MM300933;CCNCCC(O)C(C)C;BHSDWQMHPCTBLU-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300934;MM300934;CC(C)=C(C)C(F)CCN;CJIXTUFPHKTWKK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300935;MM300935;CCNCCC(O)C(C)O;OGZCEVAGSQEGPS-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300936;MM300936;CC(C)=C(C)C(F)CCO;ZIGOLKBVDBFHGA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300937;MM300937;CCOCCC(C)C(C)N;NEMSIOWVXSPYPK-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300938;MM300938;CC(C)=C(C)C(F)CCF;KMDFCACKDJAUER-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300939;MM300939;CCOCCC(N)C(C)C;UGBUOAAWBDVNER-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300940;MM300940;CCCC(F)C(C)=C(C)F;WFQLYWZMMYFMBV-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300941;MM300941;CCOCCC(N)C(C)N;LFYSGQUNNLIEIJ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300942;MM300942;CC(F)=C(C)C(F)CCN;DPQLPNNNZKCZGM-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300943;MM300943;CCOCCC(O)C(C)N;CNXRGZYYDGWVKV-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300944;MM300944;CC(C)=C(F)C(C)CCN;DDCSLSNVYYKVIS-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300945;MM300945;CCOCCC(O)C(C)O;CBCOHRKYCDLRLV-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300946;MM300946;CC(C)=C(F)C(C)CCF;ZJZBANNGGUYEOH-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300947;MM300947;CCOCCC(F)C(C)C;QGBNXMSPJNVZTM-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300948;MM300948;CCCC(N)C(F)=C(C)C;PKSNWQADOOMYRX-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300949;MM300949;CCOCCC(F)C(C)N;MCNGVSQSWUDPEK-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300950;MM300950;CC(C)=C(F)C(O)CCN;DUCVFXPQPJKQIQ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300951;MM300951;CCCNCC(C)C(C)C;TWTRXSKBENUJGM-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300952;MM300952;CC(C)=C(F)C(O)CCO;HRNRKSDUMVZFNR-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300953;MM300953;CC(C)C(C)CNCCN;CTNFOWOHNYEGMW-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300954;MM300954;CC(F)=C(F)C(O)CCN;DCPZPEQITNCJGV-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300955;MM300955;CC(C)C(C)CNCCF;ZEFSCIYHWYJSHU-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300956;MM300956;CC(C)=C(F)C(F)CCN;FRZBLALUJZZXOQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300957;MM300957;CCCNCC(C)C(C)N;QDCBPRSKXZELHJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300958;MM300958;CNCC(C)C(C)=C(C)C;QXJFYFOQCPGLIQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300959;MM300959;CC(N)C(C)CNCCN;BQYNGGLTZBMFPH-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300960;MM300960;CNCC(C)C(C)=C(C)F;QVWYFTUQWZCXHY-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300961;MM300961;CCCNCC(C)C(C)O;TWOQCQJYSLTPNQ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300962;MM300962;CNCC(C)C(C)=C(F)F;RSPJUHKVROFQBB-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300963;MM300963;CCCNCC(C)C(C)F;BMFOGBBPLYCCGN-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300964;MM300964;CNCC(N)C(C)=C(F)F;CHIUCBHEFKPFKV-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300965;MM300965;CC(F)C(C)CNCCF;ZIGOCCNUOMSABS-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300966;MM300966;CNCC(C)C(F)=C(C)C;MUULBYBLGRYHHA-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300967;MM300967;CC(CNCCF)C(F)F;WGFXWEYSXVHZTQ-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300968;MM300968;CNCC(C)C(F)=C(C)F;IGEUKGICGXTIDO-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300969;MM300969;CCCNCC(N)C(C)C;DINISUDUXLUJBR-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300970;MM300970;CNCC(N)C(F)=C(F)F;SETNAWXUEGSXOE-UHFFFAOYSA-N;154.14;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300971;MM300971;CC(C)C(N)CNCCN;FWJZIKAVAAXSLZ-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300972;MM300972;CNCC(F)C(F)=C(C)C;SYDDNRDSNHQDIE-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300973;MM300973;CC(C)C(N)CNCCO;RTWODLSXMSDDRL-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300974;MM300974;COCC(O)C(F)=C(C)F;OKPNKSXQEBBBDP-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300975;MM300975;CCCNCC(N)C(C)N;WWLJCBCSGUSQOO-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300976;MM300976;CCNC(C)C(C)=C(C)C;MXONKLNFOVFSEW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300977;MM300977;CC(O)C(N)CNCCO;PFQREDOZOCPMGN-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300978;MM300978;CCNC(C)C(C)=C(C)F;SJEKWLXWBNDSMI-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300979;MM300979;CC(O)C(N)CNCCF;YSRNNCPSXZUZNF-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300980;MM300980;CCNC(C)C(C)=C(F)F;NGWWOCOMSIKSOL-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300981;MM300981;CCCNCC(O)C(C)C;IPSVGRDODDCUOE-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300982;MM300982;C=CCC(C)C(C)=C(C)C;IDHCFDAXENSHOS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300983;MM300983;CC(C)C(O)CNCCO;MPUKMOGPCKYNAT-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300984;MM300984;CC(F)=C(C)C(C)CC=O;ONNZTZIQYMTCQB-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300985;MM300985;CC(N)C(O)CNCCN;MTJMRPSGPMQXNV-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300986;MM300986;CC(=C(F)F)C(C)CC=O;NZOHEXSOQCTNEH-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300987;MM300987;CC(N)C(O)CNCCO;AACKGOZYAAUZEZ-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300988;MM300988;C=CCC(N)C(C)=C(C)F;LUQHPVYGTYDJIU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300989;MM300989;CCCNCC(O)C(C)O;RNBDQMXJSOKDPN-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300990;MM300990;CC(=C(F)F)C(O)CC#N;ONSOGRNSMOSTDJ-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300991;MM300991;CC(O)C(O)CNCCN;XYLJEBNJMFXGJQ-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300992;MM300992;CC(C)=C(C)C(F)CC=O;IUVDZFONNKOKAS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300993;MM300993;CC(O)C(O)CNCCO;LZVGEGXVTRHLMQ-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300994;MM300994;CC(F)=C(C)C(F)CC=O;OORNAKBJDKZXHC-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300995;MM300995;CC(F)C(F)CNCCN;YEDCGUSPWXDKPR-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300996;MM300996;CC(C)=C(F)C(C)CC=O;ZXWOYJBQLCPAAN-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300997;MM300997;CC(C)C(C)COCCN;LTYPFELVZALIRG-UHFFFAOYSA-N;145.25;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300998;MM300998;C=CCC(C)C(F)=C(C)F;XBIMROHHJBCUHF-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM300999;MM300999;CC(C)C(C)COCCO;HNYVNHFACBVHGE-UHFFFAOYSA-N;146.23;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301000;MM301000;CC(F)=C(F)C(C)CC=O;ILGFHEVPBOGHBY-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301001;MM301001;CCCOCC(C)C(C)N;HKVJDGZLMFWXER-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301002;MM301002;CC(F)=C(F)C(O)CC#N;BKBYQQFKOXICPS-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301003;MM301003;CC(N)C(C)COCCO;WIYZWLRVQZQSSK-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301004;MM301004;N#CCC(O)C(F)=C(F)F;IHDGQIPBZQSKPA-UHFFFAOYSA-N;151.09;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301005;MM301005;CCCOCC(C)C(C)O;RBBFVXLLXUNXMN-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301006;MM301006;CC(C)=C(F)C(F)CC=O;LTLLSBPODSZLKU-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301007;MM301007;CC(O)C(C)COCCN;YJJIDJQJOPFVFM-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301008;MM301008;CC(C)=C(C)C(C)NC=N;FKMRBZZUZBMLAN-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301009;MM301009;CC(O)C(C)COCCF;LXVVUPPBTHRUQH-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301010;MM301010;COC(C)=NOCC=O;QOHPRZZBLRRQHR-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301011;MM301011;CCCOCC(C)C(C)F;RMKNIPZDGJTTPK-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301012;MM301012;C=NOC(C)C(C)=C(C)C;LKSBXWPQQHAOQO-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301013;MM301013;CC(COCCN)C(F)F;MGSYEVPUCKGQPH-UHFFFAOYSA-N;153.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301014;MM301014;C#CCC(N)C(C)=C(C)C;MDXOHNAHTYIJOU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301015;MM301015;CC(COCCO)C(F)F;FUKQILFURSXHNV-UHFFFAOYSA-N;154.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301016;MM301016;C=C(CCN)C(C)=C(C)C;PKDSQWQQWJOBJD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301017;MM301017;CCCOCC(N)C(C)C;LIMIEQPCHJRHPA-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301018;MM301018;C=C(CCN)C(C)=C(C)F;IYQWNTBEFZMCTR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301019;MM301019;CC(C)C(N)COCCO;AUAZVQQECOTJMQ-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301020;MM301020;C=C(CCF)C(C)=C(C)F;FGAFCRQQYAITIR-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301021;MM301021;CCCOCC(O)C(C)C;YIHMWIWVONBUME-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301022;MM301022;C=C(CCN)C(C)=C(F)F;FYGAKSBEGRDKGY-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301023;MM301023;CC(C)C(O)COCCN;FMTZESQPIMKNRN-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301024;MM301024;CC(C)=C(C)C(=O)CCO;LHFJDKNKJLTVBV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301025;MM301025;CC(C)C(O)COCCO;UUYTXHXTQYYVQH-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301026;MM301026;CCCC(=O)C(C)=C(C)F;SKDARBZLUUHFBX-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301027;MM301027;CC(N)C(O)COCCO;GJBRZQPURWSXNP-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301028;MM301028;CC(F)=C(C)C(=O)CCF;XECSBKFXBWJCAK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301029;MM301029;CC(O)C(O)COCCN;LBPVSPDTMAZAPI-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301030;MM301030;CCC1(C)CC1NC=O;NKDGCBAEDLEQME-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301031;MM301031;CC(O)C(O)COCCO;QFHNZHHYMCWCAK-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301032;MM301032;CCCC(=O)C(C)=C(F)F;CJUXOYMJRRISDP-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301033;MM301033;CC(O)C(O)COCCF;VYMXXKVIQXJASO-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301034;MM301034;CC(C(=O)CCO)=C(F)F;AEZAPXOLLDSJFY-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301035;MM301035;NCCOCC(O)C(F)F;PBVKKWTZAOSPRT-UHFFFAOYSA-N;155.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301036;MM301036;C=C(CCN)C(F)=C(C)C;PUGZYUGANMOBNN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301037;MM301037;OCCOCC(O)C(F)F;XBOYYOISGOGGHY-UHFFFAOYSA-N;156.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301038;MM301038;C=C(CCF)C(F)=C(C)C;QZGVCRUMFRETCT-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301039;MM301039;COCOCC(C)C(C)F;RPYUQKXDCSCJOJ-UHFFFAOYSA-N;150.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301040;MM301040;C=C(CCN)C(F)=C(C)F;OWYJVKWYVQNTDP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301041;MM301041;COCOCC(N)C(C)O;HBYRCWMPEMARGR-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301042;MM301042;CCCC(=O)C(F)=C(C)C;VLGOGJOVIBJMSP-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301043;MM301043;COCOCC(N)C(C)F;OCDXXKOMOSVGCM-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301044;MM301044;CC(C)=C(F)C(=O)CCF;OHTBFNZXRKEAJI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301045;MM301045;COCOCC(O)C(C)N;BJFABFWNYRXAFO-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301046;MM301046;NC(N)=C(F)C(=O)CCO;FTOXGZQMAMJLGI-UHFFFAOYSA-N;148.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301047;MM301047;COCOCC(O)C(C)O;PAJCQUAZKKFOOX-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301048;MM301048;C=C(CNC)C(C)=C(C)C;QMIAANDLQNAQMQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301049;MM301049;CCCCNC(C)C(C)C;VPUSUQSJGVFMCB-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C3";;;;;;;3.9;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301050;MM301050;C=C(CNC)C(C)=C(C)F;ABWDHIDSUYOYNG-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301051;MM301051;CC(C)C(C)NCCCN;OIGGAAGHRQUEGG-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301052;MM301052;C=C(CNC)C(C)=C(F)F;DTZNSQHTLAKABZ-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301053;MM301053;CC(C)C(C)NCCCO;OZUOEGCXFDVMEC-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301054;MM301054;CNCC(=O)C(C)=C(F)F;TUBGNOWZVGLOPF-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301055;MM301055;CC(C)C(C)NCCCF;SRCMUFBQFNATGI-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301056;MM301056;COCC(=O)C(C)=C(N)N;DZVIFLQBYIOGSA-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301057;MM301057;CCCCNC(C)C(C)N;OXRWBTJFNDNTRG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301058;MM301058;CCNC(=O)C(F)=C(C)N;BZYXBEYLTXIDNW-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301059;MM301059;CCCCNC(C)C(C)O;DDAVBFJUEBQKQK-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301060;MM301060;CNNC(=N)C(C)=C(C)C;XJOBEZOCMKNUJI-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301061;MM301061;CCCCNC(C)C(C)F;ZHHVDVONBBKLJK-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301062;MM301062;CNNC(=N)C(C)=C(C)F;XKUSZAXWMICMNA-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301063;MM301063;CC(F)C(C)NCCCF;SUDXPYCASJPNCR-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301064;MM301064;C=NOC(C=O)C(=C)F;GFCQKMJPYBFDRM-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301065;MM301065;CNCCNC(C)C(C)N;VNJJLKASEVSWCL-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301066;MM301066;CNNC(=O)C(F)=C(C)C;NBSKHQQNVPTKAF-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301067;MM301067;CNCCNC(C)C(C)F;ANIQYZKGVUUTSS-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301068;MM301068;CNNC(=O)C(F)=C(C)N;XPOXBYAPBYFZHT-UHFFFAOYSA-N;147.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301069;MM301069;CONC(=O)C(C)=C(C)C;MGQHRWOHAAOGSC-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301070;MM301070;CC(C)C(C)OCCCO;YNLNPGHSHMQQCW-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301071;MM301071;CCC1C(C)C1NC=O;VLOOLUMOSDMCPK-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301072;MM301072;CC(C)C(C)OCCCF;FXMKQSQEQXRABW-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301073;MM301073;CCOC(=O)C(C)=C(C)N;AHHWYDQKFSHGNI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301074;MM301074;CC(N)C(C)OCCCO;OVERWJHIKKKCNG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301075;MM301075;C=CCC(=C)C(C)=C(C)C;GSZZBSMDQGRPFD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301076;MM301076;CC(O)C(C)OCCCN;VFKRVXWWLNRRPU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301077;MM301077;C=C(CC=O)C(C)=C(C)F;KQRACYKOORJUPU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301078;MM301078;CC(O)C(C)OCCCO;JHINEGXHYDYMRC-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301079;MM301079;C=CCC(=O)C(C)=C(C)N;MKECVWZJCBZWBV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301080;MM301080;CNCCOC(C)C(F)F;WSKZVJQDYGXKQT-UHFFFAOYSA-N;153.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301081;MM301081;C=CCC(=O)C(C)=C(C)F;MHYQXYJVZPTXBZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301082;MM301082;CCCCCC(C)N(C)C;BSKOUVXDGUXGAZ-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301083;MM301083;C=C(CC=O)C(F)=C(C)C;BZGXVCILVNBDPV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301084;MM301084;CC(CCCCN)N(C)C;ZHXYHJLCFGMSFH-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301085;MM301085;CC(CCCCO)N(C)C;IARQJGUDOVWCFS-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301086;MM301086;C=CCC(=O)C(F)=C(C)C;HWYJQAKKQXJANZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301087;MM301087;CCNCCC(C)N(C)C;ZWNLWRXESXUYAJ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301088;MM301088;C=CCC(=O)C(F)=C(C)N;XGTJOBUTUXYIGM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301089;MM301089;CCOCCC(C)N(C)C;QXFGMGFZRKRWLL-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301090;MM301090;CC(F)=C(F)C(=O)CC#N;OXKWMAHRLMMQSI-UHFFFAOYSA-N;145.11;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301091;MM301091;CCCCCN(C)C(C)C;IUZQHGGBRDPJHR-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301092;MM301092;C=C(NC=N)C(C)=C(C)F;PILFHCONTBFHKH-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301093;MM301093;CC(C)N(C)CCCCN;BBEOCWDIZZEPIR-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301094;MM301094;CC=CCC(C)NC(C)=O;JUZNUWWCPHVRJX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301095;MM301095;CC(C)N(C)CCCCF;KSMSDOWIAPCUMF-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301096;MM301096;C=CNC(=N)C(C)=C(C)F;FCKMHHBTAUOHHL-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301097;MM301097;CCNCCN(C)C(C)C;NLCSPFKJBQALGA-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301098;MM301098;C=CNC(=N)C(C)=C(N)N;HBQJRVIXLLBRQD-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301099;MM301099;C=CCCCC(C)C(C)C;VUZUTEDRGWYHAF-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301100;MM301100;CC(C(=N)NC=N)=C(N)N;UOUUDNPUVSRMCI-UHFFFAOYSA-N;141.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301101;MM301101;CC(C)C(C)CCCC#N;NAKLDRKLQXZPPQ-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301102;MM301102;CC(C(=N)NC=O)=C(F)F;RNBNGCZCCHETSX-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301103;MM301103;C=CCCCC(C)C(C)N;OJBVNBBAQVRFKW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301104;MM301104;C#CC(C)(C)CCNC=O;LNYASQQPCIYBOG-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301105;MM301105;C#CC1=NC(C)C(=N)N1C;XESNPKWVXXYYEA-UHFFFAOYSA-N;135.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301106;MM301106;CC(C(=O)NC=O)=C(N)N;CQXLBCVVCVZDRO-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301107;MM301107;C#CC(C#N)ON=CCC;XAYQNVKXLMIRCV-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301108;MM301108;CC(C(=O)NC=N)=C(F)F;VLCPKLUGDCUJMJ-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301109;MM301109;CCC(CC=CCO)=NN;UCEIEDBOSPFAKK-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301110;MM301110;CC(C(=O)NC=O)=C(F)F;ZDQAKLHGRCUDMZ-UHFFFAOYSA-N;149.1;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301111;MM301111;C=CCn1ncc(NN)n1;KTHIDDAZMWKSAA-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301112;MM301112;CC(N)=C(F)C(=N)NC=O;HTYLLKBBJLMZSL-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301113;MM301113;CCNN=CCC=CCO;CQNFDLOISICEQW-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301114;MM301114;CC(C)=C(F)C(=O)NC=N;GNZVPNLWQZYCNG-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301115;MM301115;C=CCCCC(F)C(C)N;KMKRIORYMQKAKZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301116;MM301116;CC(N)=C(F)C(=O)NC=N;JEQWSTCJDZWWPX-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301117;MM301117;CC(O)C(F)CCCC=O;QTQBIADBDUWHNL-UHFFFAOYSA-N;148.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301118;MM301118;CC(N)=C(F)C(=O)NC=O;NMVZNNQELMJNAO-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301119;MM301119;CCON=CCC=CCO;CDTVQLOKEYDMFZ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301120;MM301120;CN(C)C(=O)CCC(N)=O;DDJYVUZXVOTIHJ-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301121;MM301121;CC(O)C(C)CCNC=N;ZTBIDVWYMFGFND-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301122;MM301122;C=NNC(=O)C(F)=C(F)F;HYDNUGBWOLUXBK-UHFFFAOYSA-N;152.08;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301123;MM301123;CC(F)C(C)CCNC=N;BEEBNHITSBLUKX-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301124;MM301124;C=COC(=O)C(C)=C(C)N;MFNPJFCLTATGLE-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301125;MM301125;CC1NC1C(N)=O;VPQRCGYRFWYOEO-UHFFFAOYSA-N;100.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301126;MM301126;C=NOC(=O)C(F)=C(C)C;QFRZADQXMLZRIW-UHFFFAOYSA-N;145.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301127;MM301127;CC(CCNC=N)C(F)F;FABCDKNNEUCHSH-UHFFFAOYSA-N;150.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301128;MM301128;C=NOC(=O)C(F)=C(F)F;YLTQJZUXFOYUIV-UHFFFAOYSA-N;153.06;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301129;MM301129;CC(O)C(O)CCNC=O;IKRBISMZXKRZEU-UHFFFAOYSA-N;147.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301130;MM301130;C#CCC(=C)C(C)=C(C)C;MVOABTKOJFTQDK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301131;MM301131;CC(C)C(F)CCNC=N;BFRYYKKVSBXQNX-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301132;MM301132;C#CCC(=C)C(C)=C(C)F;QTOHFAMXACTZRM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301133;MM301133;CN1CC1C(N)=O;QZMZMLNCRBYEQD-UHFFFAOYSA-N;100.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301134;MM301134;C#CCC(=O)C(C)=C(N)N;YJGIBLWCBXGCBJ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301135;MM301135;C=NNCCC(C)C(C)C;WQBHTCNTKRTVCD-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301136;MM301136;CC=CC(C)C(C)=C(C)F;BBZDTRHBCAMWFJ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301137;MM301137;C=NNCCC(C)C(F)F;MFMOAKNKPVAEAP-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301138;MM301138;CC(F)=C(C)C(C)C=CF;NTSSMIYVMVSPJO-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301139;MM301139;C=COCCC(C)C(C)N;XRZJDGRKAYVBSX-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301140;MM301140;CC=CC(C)C(C)=C(F)F;FDFNNFVBQBTIDX-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301141;MM301141;C=COCCC(C)C(C)O;HYLBEEVOPAHFAF-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301142;MM301142;CC=CC(N)C(C)=C(C)C;PQCUFGLFESTARC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301143;MM301143;CC(O)C(C)CCOC=O;CHWMYDVANQSRRZ-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301144;MM301144;CC(C)=C(C)C(N)C=CF;QGGRWXVNGQWVEX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301145;MM301145;CC(CCOC=O)C(F)F;KFLURQJXRIYGSE-UHFFFAOYSA-N;152.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301146;MM301146;CC=CC(N)C(C)=C(C)F;WHZROPFVTPQFBK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301147;MM301147;C=COCCC(N)C(C)C;FPCRWLKIQLAGIA-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301148;MM301148;CC(F)=C(C)C(N)C=CF;CGGZVIZTMBUYIA-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301149;MM301149;CC(N)C(N)CCOC=O;BGDAPZLXQNUZPO-UHFFFAOYSA-N;146.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301150;MM301150;CC=CC(C)C(F)=C(C)F;GBRSGRZEZBCRSR-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301151;MM301151;CC(O)C(N)CCOC=O;KENOMELHJQVRSH-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301152;MM301152;CC(C)=C(C)C(C)C=NO;CENRXBXEYOVWDP-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301153;MM301153;C=COCCC(O)C(C)C;WGDWBDIILSEIFQ-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301154;MM301154;CC(F)=C(C)C(C)C=NO;WXVZUPVRLANDAO-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301155;MM301155;CC(C)C(O)CCOC=O;FHCICKVMCYSZLT-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301156;MM301156;CC(=C(F)F)C(C)C=NO;RRQQXVXXJDTJMR-UHFFFAOYSA-N;149.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301157;MM301157;C=COCCC(O)C(C)O;YWWHEJCQEIKLBL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301158;MM301158;CC=CC(=O)C(C)=C(C)C;CHGUVHHSKYAXDU-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301159;MM301159;C=NOCCC(C)C(C)C;KJROVDKMJGZZOL-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301160;MM301160;CC(C)=C(C)C(=O)C=CN;WRHPAMVXUNMZKM-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301161;MM301161;C=NOCCC(C)C(C)N;OFIKTVRIKDAXGE-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301162;MM301162;CC(C)=C(C)C(=O)C=CF;AUPXWXPUGCWSDN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301163;MM301163;C=NOCCC(N)C(C)C;XXQLLXVLWAGZGF-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301164;MM301164;CC=CC(=O)C(C)=C(C)N;WIKUNMVGKJCHBK-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301165;MM301165;C=NOCCC(N)C(C)F;RQPAXCQYVXVIOX-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301166;MM301166;CC(N)=C(C)C(=O)C=CN;XPYOZDSSEBHWIZ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301167;MM301167;C=NOCCC(F)C(C)N;KAMZLWDRJOACOY-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301168;MM301168;CC(F)=C(C)C(=O)C=CF;IWMMFZHDVFVPSH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301169;MM301169;C=CCNCC(C)C(C)C;NULRKTVISUQXDI-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301170;MM301170;CC=CC(=O)C(C)=C(N)N;TZNJIDUYQALHBB-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301171;MM301171;CC(C(=O)C=CN)=C(N)N;GJSNWNWBFJZFBB-UHFFFAOYSA-N;141.17;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301172;MM301172;CC(C)C(C)CNCC=O;MJCZVXJUXZLZME-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301173;MM301173;CC(C(=O)C=CF)=C(N)N;SJTFABHMZBWVGN-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301174;MM301174;CC(C)C(C)CNCC#N;DGWAJAPPCKQAOB-UHFFFAOYSA-N;140.23;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301175;MM301175;CC=CC(=O)C(C)=C(F)F;GZMUFNZPFKDSSB-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301176;MM301176;C=CCNCC(C)C(C)F;XJCPUHDODJAWDE-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301177;MM301177;C=C(C=CC)C(F)=C(C)C;HJBQFGDXXPHHQE-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301178;MM301178;CC(F)C(C)CNCC=O;SPYOFHKXPYTLPD-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301179;MM301179;CC(C)=C(C)C(=O)C=NO;BFMLDGQHRRQTGD-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301180;MM301180;CC(F)C(C)CNCC#N;ZFUVFRPHQAKYOH-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301181;MM301181;CC#CC(C)C(C)=C(C)C;DKRAURLQTSSQPM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301182;MM301182;C=CCNCC(C)C(F)F;RTOUYKINKIWHGB-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301183;MM301183;CC#CC(C)C(C)=C(C)F;INAFKVMJWHSAQC-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301184;MM301184;C=CCNCC(N)C(C)F;JCFAVBMDYVYNKJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301185;MM301185;CC#CC(N)C(C)=C(C)C;MTXUUPLLHBRREA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301186;MM301186;C=CCNCC(N)C(F)F;ZICQZOLRHDOVBJ-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301187;MM301187;CC#CC(N)C(C)=C(C)F;IGIQLSYDLJLBIC-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301188;MM301188;C=NN(C)CC(N)=O;ZXMRIUWJGFRHBC-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301189;MM301189;CC#CC(O)C(C)=C(C)C;UBSAUDFLDPSQCU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301190;MM301190;C=CCNCC(O)C(C)N;SYKDEAWBBOULTG-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301191;MM301191;CC#CC(C)C(F)=C(C)C;OMCYJMSQZSOJMO-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301192;MM301192;Cc1cc(F)c(N)[nH]1;BOFDIYGYXRFYMF-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301193;MM301193;CC#CC(O)C(F)=C(C)F;GYKBNBGQJVEVBO-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301194;MM301194;CC(N)C(C)CNNC=N;JFWQUHWCDHNAGE-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301195;MM301195;C=C(C#CC)C(C)=C(C)C;IZZSAXGLBNMFOS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301196;MM301196;CC(O)C(C)CNNC=N;FMGMWEFMEBAOMA-UHFFFAOYSA-N;145.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301197;MM301197;C=C(C#CC)C(C)=C(C)F;BLDGJWKYKVZHEF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301198;MM301198;CC(C)C(N)CNNC=O;FIDKVWZCZGRDAS-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301199;MM301199;C=C(C#CC)C(C)=C(F)F;DJYKKAOCARXSQH-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301200;MM301200;CC(N)C(N)CNNC=O;PGUZCLXOCDLHCQ-UHFFFAOYSA-N;146.19;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301201;MM301201;CC#CC(=O)C(C)=C(C)C;GJDLGZCVLWQDMA-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301202;MM301202;CC(C)C(O)CNNC=N;CFDUACHBUAMRIG-UHFFFAOYSA-N;145.21;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301203;MM301203;CC#CC(=O)C(C)=C(C)N;RPXJNGDGWMLYHT-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301204;MM301204;C#CC(C#N)ON=C;JJPXAGFGFAEBCP-UHFFFAOYSA-N;108.1;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301205;MM301205;C=C(C#CC)C(F)=C(C)C;FCVJAOYVUFLJCP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301206;MM301206;CC(O)C(O)CNNC=N;BFIRPHYZRIVXKJ-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301207;MM301207;CC#CC(=O)C(F)=C(C)N;PJSIAUNZBRKVGT-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301208;MM301208;CCC=C(C)C(C)=C(C)C;XLMUFMCGDRMCIG-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301209;MM301209;NN=CCCNC=O;OBIJUCQWEMNYGL-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301210;MM301210;CC(=CCN)C(C)=C(C)C;VCWYSHFDPUZMFH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301211;MM301211;C=CCOCC(C)C(C)C;HVGAECUYLGNJNB-UHFFFAOYSA-N;142.24;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301212;MM301212;CC(=CCN)C(C)=C(F)F;COUSLCJUBUXUEI-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301213;MM301213;C=CCOCC(C)C(C)N;UOROQEMHXALWEI-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301214;MM301214;CC(C)=C(C)C(F)=CCN;NMPQNCPVSWNWQO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301215;MM301215;C=CCOCC(C)C(C)O;KZXGIRSYTBEUSR-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301216;MM301216;CC(=CCN)C(F)=C(C)C;DUSKAOVXAZJEHC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301217;MM301217;CC(F)C(C)COCC=O;KRAPJQLQHRDJGS-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301218;MM301218;CNN=C(C)C(F)=C(C)F;JNRDYBWKAAVOPH-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301219;MM301219;CC(COCC=O)C(F)F;QCUFDICZMHIBTQ-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301220;MM301220;CON=C(C)C(C)=C(C)C;JDXOGSNETIYWJX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301221;MM301221;C=CCOCC(N)C(C)C;OCPXVDYUUXFZPT-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301222;MM301222;CON=C(C)C(F)=C(C)C;GHVAWGHLMLRZPV-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301223;MM301223;C=CCOCC(N)C(C)N;RWWASGBQENUSLS-UHFFFAOYSA-N;144.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301224;MM301224;C=CC=C(C)C(C)=C(C)C;BLFUNMYFCHFWQB-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301225;MM301225;C=CCOCC(O)C(C)C;BRIPWJDZCIPFIZ-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301226;MM301226;CC(=CC#N)C(C)=C(C)C;NNSQZEOXCXOTMK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301227;MM301227;C=CCOCC(O)C(C)N;ZKXVSNYKOUNXCK-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301228;MM301228;CC(F)=C(C)C(N)=CC#N;OGZRWKPWLDZETE-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301229;MM301229;CC(O)C(O)COCC=O;FZVPUEZJYNKBFD-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301230;MM301230;CC(C)=C(F)C(N)=CC#N;CENCUVIHFSWDCH-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301231;MM301231;CC(O)C(O)COCC#N;RAAGKTCATCBANK-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301232;MM301232;N#CC=C(N)C(F)=C(F)F;UBLNOWVSDSHFIP-UHFFFAOYSA-N;148.09;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301233;MM301233;C=CCOCC(O)C(C)F;IKMOJMAQQLVIKV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301234;MM301234;C=NN=C(C)C(C)=C(C)N;CHTOVVDPRWWROW-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301235;MM301235;C=CCOCC(F)C(C)C;SLZIZDVDSZEIRR-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301236;MM301236;C=NN=C(C)C(C)=C(N)N;FEMUMMYLOTWNHM-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301237;MM301237;CC(C)C(C)CONC=O;STTYCBBPYXWHEC-UHFFFAOYSA-N;145.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301238;MM301238;C=NN=C(C)C(C)=C(F)F;DXJGPSNZONSUPT-UHFFFAOYSA-N;146.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301239;MM301239;CC(N)C(C)CONC=O;BZCTXDIZIZEASY-UHFFFAOYSA-N;146.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301240;MM301240;C=NN=C(C)C(F)=C(C)C;DFJRSDHHCZIWEA-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301241;MM301241;CC(O)C(C)CONC=O;PPXPWVDSWIRYCE-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301242;MM301242;C=NN=C(C)C(F)=C(C)N;IFZPKYFPVAFYRX-UHFFFAOYSA-N;143.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301243;MM301243;CC(F)C(C)CONC=N;BGIIYOYWISQIEV-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301244;MM301244;C=NN=C(C)C(F)=C(N)N;JQDPNTUVCXHNCP-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301245;MM301245;CC(F)C(C)CONC=O;VYFBILANILXCOM-UHFFFAOYSA-N;149.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301246;MM301246;C#CC=C(F)C(C)=C(C)C;DGCAUOSCVYBVHL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301247;MM301247;CC(CONC=O)C(F)F;JBILSNVIWSCNPQ-UHFFFAOYSA-N;153.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301248;MM301248;C#CC=C(C)C(F)=C(C)F;VBPPCUWZOGJANI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301249;MM301249;CC(C)C(N)CONC=O;XRGGRJDVIQMLGU-UHFFFAOYSA-N;146.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301250;MM301250;CC(CCF)=C(C)C(C)C;MVNPPVSWXCJYBX-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301251;MM301251;N=CNOCC(N)C(F)F;JDIIQKXOWQTNLQ-UHFFFAOYSA-N;153.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301252;MM301252;CC(CCN)=C(C)C(C)O;ZXQUNLRLUNICQZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301253;MM301253;CC(C)C(O)CONC=O;OFHOQGSOPNYORQ-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301254;MM301254;CC(CCN)=C(C)C(C)F;IBIITYBIZALRDP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301255;MM301255;N=CNOCC(O)C(F)F;XGYMJHDPXXVJIZ-UHFFFAOYSA-N;154.12;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301256;MM301256;C#CC(C)NC=CC(N)=O;ZXNDBRLDURFWAL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301257;MM301257;CC(C)C(F)CONC=O;LHZSJRUPRVKCDK-UHFFFAOYSA-N;149.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301258;MM301258;CC(CCF)=C(C)C(C)F;NXRXCSUKGURHSE-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301259;MM301259;CC(O)C(F)CONC=O;UHBWZWNDYSWWKZ-UHFFFAOYSA-N;151.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301260;MM301260;CC(CCF)=C(C)C(F)F;BKJXMGVHMHHRAZ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301261;MM301261;C=CCCNC(C)C(C)C;MIMVLWRFYCVPDE-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301262;MM301262;CC(=C(F)CCN)C(C)C;HRLLMDSAAMZOPB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301263;MM301263;CC(C)C(C)NCCC=O;DOJBWKBOFCVXTM-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301264;MM301264;CCCC(F)=C(C)C(C)N;YMERYXGVTZGOBR-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301265;MM301265;CC(C)C(C)NCCC#N;DSTXLYRBBBULAF-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301266;MM301266;CC(=C(F)CCO)C(C)N;FYXRBCJGNNZINL-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301267;MM301267;C=CCCNC(C)C(C)O;OYPPODWGYXEBBH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301268;MM301268;CCCC(F)=C(C)C(C)O;JUUALGSAEWBPOY-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301269;MM301269;C=CCCNC(C)C(C)F;GOJDMVICSQYLNN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301270;MM301270;CC(=C(F)CCF)C(C)O;IKYMGLQQLHNKTM-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301271;MM301271;C=CCCOC(C)C(C)N;YEBJPMWFIUGYBI-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301272;MM301272;CC(=C(F)CCN)C(C)F;STLJXJIRLUGJGD-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301273;MM301273;C=COCOC(C)C(C)N;TXIBKQWTRYTZNR-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301274;MM301274;CC(=C(F)CCN)C(F)F;DFLWJJPOEWQZJH-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301275;MM301275;C=CCCCC(C)N(C)C;BBBBRSZWYXERNU-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301276;MM301276;CC(CCN)=C(F)C(C)C;AEKWILAXROGWQQ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301277;MM301277;CC(CCNC=N)N(C)C;ZFPKYJYGNNQPOG-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301278;MM301278;CC(CCF)=C(F)C(C)C;VXCNPZUHHXTVBJ-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301279;MM301279;C=COCCC(C)N(C)C;OZTMONCJZPLYGS-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301280;MM301280;CC(CCN)=C(F)C(C)F;DVNKYAJIUXCXOS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301281;MM301281;CC(CCOC=O)N(C)C;MYGIHRFNIXPBRV-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301282;MM301282;CNCC(C)=C(C)C(C)C;ZRGQAEWSVLKGDI-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301283;MM301283;C=NOCCC(C)N(C)C;KAIZKSGWGRDDLN-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301284;MM301284;CNCC(C)=C(C)C(F)F;SZJDBTNAOCMOPT-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301285;MM301285;C=CCNCC(C)N(C)C;OARWWUGSMZNHDL-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301286;MM301286;CNCC(C)=C(F)C(C)C;GGFARSUVSHEXLY-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301287;MM301287;CC(CNNC=N)N(C)C;AKIYFVQATBWAJY-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301288;MM301288;CNCC(C)=C(F)C(F)F;LOLAOVIZTJDXIR-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301289;MM301289;C=CCOCC(C)N(C)C;PBRBJFVZLKBVBE-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301290;MM301290;CC(CC=O)=C(C)C(C)C;SYORVBSDXQIOHS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301291;MM301291;CC(CONC=O)N(C)C;VZMDHORICTUBGE-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301292;MM301292;CC(CC#N)=C(C)C(C)C;KWRLXQNCSXNJIO-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301293;MM301293;CC(C)N(C)CCCC=O;OALQJUSHPMEIOP-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301294;MM301294;C=CCC(C)=C(C)C(C)N;MPSKFQMZTQBEMB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301295;MM301295;CC(C)N(C)CCCC#N;DBHFHGLQXFGRCB-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301296;MM301296;CCC(C)C(=O)NC(C)C;FFMBBAYBKJKGKK-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301297;MM301297;CC(C)N(C)CCNC=N;PJPFIMCEKXHRBC-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301298;MM301298;CC(CC#N)=C(C)C(C)F;BVVBONOTXXALOM-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301299;MM301299;C=COCCN(C)C(C)C;XCMDXXZJBGHCOU-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301300;MM301300;CC(=C(F)CC#N)C(C)C;JDZJYPIBHRSMAJ-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301301;MM301301;CC(C)N(C)CCOC=O;ZYTWFQUDGJTWNC-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301302;MM301302;CC(=C(F)CC=O)C(C)O;STWSITBHPRNKSU-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301303;MM301303;C#CCCCC(C)C(C)C;GLHPQIRSIBISCV-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301304;MM301304;CC(CC=O)=C(F)C(C)C;SKSWYMJBEMGEPQ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301305;MM301305;C#CCCCC(C)C(C)N;RWDIUFNJIKIQMO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301306;MM301306;CC(CC#N)=C(F)C(C)C;VYAVPZCPWQPTHW-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301307;MM301307;C#CCCCC(N)C(C)C;MWCKBRUGZZVZPE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301308;MM301308;CC(CC=O)=C(F)C(C)F;OMPUXENJBVRVHT-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301309;MM301309;C#CCCCC(N)C(C)F;UHXVQAOYNCPZTH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301310;MM301310;CC(CC=O)=C(F)C(F)F;MGYJGBQRCZNOSZ-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301311;MM301311;C=CC(C)(C)NC(C)=O;RYHPBYKXPBGNRI-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301312;MM301312;CC(O)C(F)=C(F)CC#N;DLVJDUJKKPZJNS-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301313;MM301313;C#CCCCC(O)C(C)O;SUJXIWOWUWFCOK-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301314;MM301314;CC(NC=N)=C(C)C(C)C;UOIBFIALIYJTLM-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301315;MM301315;C#CCNCC(C)C(C)C;ONKLFECQPJZZCU-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301316;MM301316;CC(NC=N)=C(C)C(F)F;YDQXBNONMPSLJH-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301317;MM301317;C#CCNCC(C)C(C)F;MHIBCFZGNJFZFO-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301318;MM301318;CC(NC=O)=C(C)C(F)F;VPWFPAKIXQNBFG-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301319;MM301319;C#CCNCC(N)C(C)O;ROEVTMHRRAQVJD-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301320;MM301320;CC(NC=N)=C(F)C(C)O;XGBPOGNNHUXJSJ-UHFFFAOYSA-N;146.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301321;MM301321;C#CCNCC(O)C(C)C;ZXGYJQMUKMXARV-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301322;MM301322;CC(OC=O)=C(C)C(C)C;UWWYZBCTJNVVTD-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301323;MM301323;C#CCNCC(O)C(C)N;JTJKBJFEGDDKBI-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301324;MM301324;CC(OC=O)=C(C)C(C)O;CUVYRSRGYIVXJW-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301325;MM301325;C#CCNCC(F)C(C)N;HGOBJWIRLYORLN-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301326;MM301326;CC(OC=O)=C(C)C(F)F;MWZQHIMNRRYOAL-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301327;MM301327;C#CCOCC(C)C(C)C;YGEVTLWBOXBVFY-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301328;MM301328;C#CCC(C)=C(C)C(C)C;MSIBHLYCXNFITH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301329;MM301329;C#CCOCC(C)C(C)N;IZFKPUIBVDBSQS-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301330;MM301330;C#CCC(C)=C(C)C(C)N;JPKHTQGASDMUEA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301331;MM301331;C#CCOCC(C)C(C)O;UXESHDJRDAKSLT-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301332;MM301332;C=CC(CC=O)CC(N)=O;CPKPMRWNDCHQNB-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301333;MM301333;C#CCOCC(N)C(C)C;BGBHQPYTJVXUJU-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301334;MM301334;C#CCC(C)=C(C)C(C)F;GNWQFRZZUJJBRF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301335;MM301335;C#CCOCC(N)C(C)N;GWPWMBVWWXOOCA-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301336;MM301336;C#CCC(C)=C(C)C(F)F;DDAHKXMGHCDHFK-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301337;MM301337;C#CCOCC(O)C(C)C;BSVFUPGYZPSOGO-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301338;MM301338;C#CCC(F)=C(C)C(C)C;DWDPPPYRHPPNSZ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301339;MM301339;C#CCOCC(O)C(C)O;KQTNOTMXGHNVMJ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301340;MM301340;C#CCC(F)=C(C)C(C)N;AMXUTOMPBWOGSK-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301341;MM301341;C#CCOCC(O)C(F)F;LYAWKRXVPWMSOY-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301342;MM301342;C#CCC(F)=C(C)C(C)O;VQXZOHZNTGCUBK-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301343;MM301343;C#CCCNC(C)C(C)C;HAWXWBOUZJYJQW-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301344;MM301344;C#CCC(C)=C(F)C(C)C;DTICLORKFPPXAR-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301345;MM301345;C#CCCNC(C)C(C)F;TVBXMZBLTPIZGR-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301346;MM301346;C#CCC(C)=C(F)C(C)F;ROXURPVSMTYFIC-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301347;MM301347;C#CCCCC(C)N(C)C;GYRMDBCINFDVHT-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301348;MM301348;C=C(C)C(C)=C(C)CCN;FBQJNOTXAFHBIB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301349;MM301349;C#CCNCC(C)N(C)C;NOIJZDBTXPBQIL-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301350;MM301350;CC=NN=CN(C)CC=O;WULKEJKWLIFFNJ-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301351;MM301351;C#CCOCC(C)N(C)C;QIESHVXYHRCOEX-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301352;MM301352;CC(CCN)=C(C)C(=N)N;IOKRSTNZDPZCFJ-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301353;MM301353;C#CCCCN(C)C(C)C;MMEXPGVACNXRLW-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301354;MM301354;CC(CCO)=C(C)C(=N)N;ILNIVXAGRSJHAY-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301355;MM301355;C=NOCC=CC(N)=O;PIILCCKFSFMRCL-UHFFFAOYSA-N;128.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301356;MM301356;CC(CCF)=C(C)C(=N)N;DRDDYKBCFOXYSM-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301357;MM301357;CC(CCCCF)C(=N)N;MCXASPFIYVGKON-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301358;MM301358;C=COC(C)C(=C)C(N)=O;IZHCLZSYIJNVRC-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301359;MM301359;CC#CCC(C)NC=O;CQAQZAMFCGVADW-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301360;MM301360;CC(CCF)=C(C)C(=O)O;CJIZESRSDAMDFW-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301361;MM301361;C=C(F)C(C)=C(C)CCN;LLBVFJRIELVLSZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301362;MM301362;CC=NN=CC(C)C=O;PVEQYECOUXMECE-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301363;MM301363;C=C(F)C(C)=C(C)CCF;BIOSNRAOZWJAEU-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301364;MM301364;CC(C(=O)O)C(F)C=NO;WIYCZEMZEGLMPN-UHFFFAOYSA-N;149.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301365;MM301365;CCCC(N)=C(C)C(C)=O;CSQJAPFUKSOBRZ-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301366;MM301366;C=C(F)C(C)CCCCC;FTUAYUJVHUKFTJ-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301367;MM301367;C=NNC(C)=C(C)C(N)=O;KDEIAZMMYKKCBN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301368;MM301368;C=C(F)C(C)CCCCN;JWMJNHYHNAIHPR-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301369;MM301369;C=CCC1CC(NC=O)C1;DIAMZJUNWYEMKV-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301370;MM301370;NC(=O)C(N)CCCCF;DTIRETVNIADLSS-UHFFFAOYSA-N;148.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301371;MM301371;CCCC(F)=C(C)C(C)=O;QLMBTWJDDUSELW-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301372;MM301372;C=C(F)C(N)CCCCC;XHRNIKPOAUUCME-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301373;MM301373;CC(=O)C(C)=C(F)CCF;FKSCMRMKUYGZFB-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301374;MM301374;C=C(F)C(N)CCCCF;UOZHRUZVGYQURV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301375;MM301375;C#CC(F)C(C#N)=C(C)N;OLRMGEKVJIMBBA-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301376;MM301376;CCNC(=O)C1(C)CC1;FMKWEUWNHRVWJD-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301377;MM301377;CC(C(N)=O)=C(F)CCO;QAJDFHLVYWODCX-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301378;MM301378;C=C(C)C(O)CCCCN;XHTVJRBUVYXLJU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301379;MM301379;CC(C(N)=O)=C(F)CCF;VGCZTPWXZBOGEA-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301380;MM301380;CNc1cc(F)c(C)[nH]1;JSJOPMDOPPOEGD-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301381;MM301381;C=C(F)C(C)=C(F)CCN;DJBZCXKUXHNEHJ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301382;MM301382;C=C(C)C(F)CCCCN;RYTRFIOMFBQVGS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301383;MM301383;C=C(C)C(F)=C(C)CCN;SIEGCZVGVSAYRZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301384;MM301384;CCCCCC(F)C(=N)N;HYJYNLPDWXBJIO-UHFFFAOYSA-N;146.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301385;MM301385;C=C(C)C(F)=C(C)CCF;FSADWYNYUVOIBH-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301386;MM301386;CCCCCC(F)C(N)=O;MQAXWDJZBVUYKV-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301387;MM301387;CCCC(C)=C(F)C(C)=O;ZWNINBSOLYLQKG-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301388;MM301388;CCCCCC(F)C(=O)O;SZKQQZKIGFBZHS-UHFFFAOYSA-N;148.18;1.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301389;MM301389;CC(=O)C(F)=C(C)CCF;JNZBASLMEHPHOF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301390;MM301390;C=C(F)C(F)CCCCF;DGPFCLDMDWJYPV-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301391;MM301391;CC(CCF)=C(F)C(=O)O;BRGNDLZMIGQPFM-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301392;MM301392;C=C(C)C(C)CCCNC;LYOXCCBVQAXMKC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301393;MM301393;C=C(F)C(F)=C(C)CCN;UDGJMTUAQSAZCX-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301394;MM301394;CNCCCC(C)C(N)=O;MAFCQOKMZSCQAN-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301395;MM301395;NC(=O)C(F)=C(N)CCO;QILUXTPHMBGULX-UHFFFAOYSA-N;148.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301396;MM301396;C=C(F)C(C)CCCNC;AMRSUZPQSVKPKL-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301397;MM301397;O=C(O)C(F)=C(F)CCF;BEWCRPIWSQLCBE-UHFFFAOYSA-N;154.09;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301398;MM301398;C=C(F)C(F)CCCNC;ZTHRQJNUYWFORC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301399;MM301399;C=C(C)C(C)=C(C)CNC;AJKQFUPIYULYOG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301400;MM301400;COCCCC(N)C(N)=O;IORXZCIBCQGUNM-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301401;MM301401;CNCC(C)=C(C)C(=N)N;KINJXKHKTDCKGY-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301402;MM301402;COCCCC(O)C(C)=O;LSUXRELVNVYIHC-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301403;MM301403;CNCC(C)=C(C)C(N)=O;GXWQYQMXIUOOMZ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301404;MM301404;C=Cc1onc(N)c1O;UHSCLHJHJAYKON-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301405;MM301405;C=C(F)C(C)=C(C)CNC;PNBYUAVKTCLKRE-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301406;MM301406;C=C(F)C(O)CCCOC;JTFATPFZUGWUOJ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301407;MM301407;C=C(F)C(F)=C(C)CNC;QZUAAUUZWIAWIL-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301408;MM301408;COCCCC(F)C(C)=O;GMWFOUOVWZQJFT-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301409;MM301409;COCCC(=CN)C(N)=O;SUSOAFZYSBUSNV-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301410;MM301410;C=C(C)C(C)CCNCC;PKWUTCGNKYXPLO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301411;MM301411;COCC(F)=C(C)C(=N)N;RANKIPSSAZHAPR-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301412;MM301412;C=C(F)C(C)CCNCC;FUJJWYVDBJRVPC-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301413;MM301413;CCNC(C)=C(C)C(C)=O;ZUGWOIBOQMNYKI-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301414;MM301414;CCNCCC(O)C(C)=O;ZRHNTOSQVDYSDY-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301415;MM301415;CCNC(C)=C(C)C(=N)N;ZYGAKLSBUXGSDH-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301416;MM301416;C=C(C)C(F)CCNCC;AJVDNFKOLHCWSC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301417;MM301417;CCNC(C)=C(F)C(N)=O;SYVJRICVRMVIBA-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301418;MM301418;CCNCCC(F)C(C)=O;WTAOTPKUBZXDQL-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301419;MM301419;CCOC(C)=C(C)C(=N)N;PERXLTKWVOKQCA-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301420;MM301420;C=C(C)C(C)CCOCC;DTTASAWWBWEQFD-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301421;MM301421;CCOC(N)=C(C)C(=N)N;SRHRCFQYIFKQQY-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301422;MM301422;CCOCCC(C)C(=N)N;NSUGUMHXYHQQMK-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301423;MM301423;C#CCC1=CN=C(C)C1=O;COQSZPLLHRLNFT-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301424;MM301424;CCOCCC(O)C(C)=O;YSDTTXHSULMZFF-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301425;MM301425;CCOC(C)=C(F)C(N)=O;KEHGRJHPUKPIIJ-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301426;MM301426;CCOCCC(F)C(C)=O;SDYMLDZFRXFRAB-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301427;MM301427;Cn1c(=O)[nH]n(C=N)c1=O;IHPZEPKBELWPQM-UHFFFAOYSA-N;142.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301428;MM301428;C=C(C)C(C)CNCCC;HSMAAVSEWYRLBP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301429;MM301429;C=C(C)C(C)=C(C)CC=O;NBCFQVLWNVQGTB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301430;MM301430;CCCNCC(C)C(C)=O;BUDVWTFEVNVEMO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301431;MM301431;C=CCC(C)=C(C)C(C)=O;XDUORNNJTKNGCE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301432;MM301432;CC(=O)C(C)CNCCO;JXMGMLIIJWYNCA-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301433;MM301433;CC(=O)C(C)=C(C)CC=O;ZWHHONCOYJFPGB-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301434;MM301434;CC(CNCCN)C(=N)N;QMBGRIIILAJHHZ-UHFFFAOYSA-N;144.22;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301435;MM301435;CC(=O)C(C)=C(C)CC#N;XFGJAFCKTVUQCM-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301436;MM301436;CC(CNCCO)C(=N)N;AMABUWFRMLFJDG-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301437;MM301437;C=CCC(C)=C(C)C(=N)N;SZJOUDGFEWCCRQ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301438;MM301438;CC(CNCCF)C(=N)N;IZAHRSSUHLGPCJ-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301439;MM301439;N=C1NN=CC1=O;IOVBBJRFGJGIID-UHFFFAOYSA-N;97.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301440;MM301440;CCCNCC(N)C(=N)N;JGCJMAQYYJFMKB-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301441;MM301441;CC(CC#N)=C(C)C(=O)O;PAJRHCQTNIDLHQ-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301442;MM301442;CCCNCC(O)C(N)=O;RJNYTOTXHHSHOU-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301443;MM301443;C=C(F)C(C)=C(C)CC=O;ODUPAFDPPACELZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301444;MM301444;C=C(F)C(O)CNCCC;JRLRBADTIUKIMC-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301445;MM301445;C=CCC(N)=C(C)C(C)=O;QXABDIPITLXVEN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301446;MM301446;C=C(C)C(F)CNCCC;NFRHGVYCTCTZSL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301447;MM301447;CC(=O)C(C)=C(N)CC=O;NERNYNKJRYNPSE-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301448;MM301448;CCCNCC(F)C(C)=O;YFWMBRMEJABKDA-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301449;MM301449;CC(C(=N)N)=C(N)CC#N;DRFZDWPFPFOODG-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301450;MM301450;C=C(C)C(C)COCCN;XLBHLZLNHVLOIQ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301451;MM301451;C=NNCCC(N)=O;DNNOXUZFSLWTFI-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301452;MM301452;CCCOCC(C)C(C)=O;KZGQWMQHPSKEPO-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301453;MM301453;C=CCC(F)=C(C)C(C)=O;SFFVILMCSBDEQD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301454;MM301454;CC(=O)C(C)COCCO;PLKIIYBLIQCXNO-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301455;MM301455;CC(=O)C(C)=C(F)CC=O;ZXMHXSRKEMTHRO-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301456;MM301456;CC(=O)C(C)COCCF;RNAXQUZLRTZDDZ-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301457;MM301457;CC(C(N)=O)=C(F)CC=O;PHVFXNMFDJNXJD-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301458;MM301458;CC(COCCN)C(=N)N;JSNINOLQENSLOD-UHFFFAOYSA-N;145.21;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301459;MM301459;C=C(C)C(F)=C(C)CC=O;UTZYZBRYPMMYKV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301460;MM301460;CC(COCCO)C(=N)N;NVSFLALORNKGPZ-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301461;MM301461;CC(=O)C(F)=C(C)CC=O;YEBVPRALXDPDCZ-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301462;MM301462;CC(COCCN)C(N)=O;MPHJYYAVQYUVSJ-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301463;MM301463;CC(=O)C(F)=C(C)CC#N;JTPJVQOLEFCARD-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301464;MM301464;C=C(F)C(C)COCCN;BTYFVMYMXOYRRP-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301465;MM301465;C=CCC(C)=C(F)C(N)=O;MFJNKAUNRUFOPH-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301466;MM301466;C=C(C)C(N)COCCO;PRQNHZABKKDGCB-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301467;MM301467;C=C(F)C(F)=C(C)CC=O;AEJLTSVDODHJLG-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301468;MM301468;N=C(N)C(N)COCCO;WIRDEZZWRFOLDF-UHFFFAOYSA-N;147.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301469;MM301469;N#CCC(F)=C(F)C(=O)O;DSGHJGFIYCMJMK-UHFFFAOYSA-N;147.08;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301470;MM301470;C=C(F)C(N)COCCN;VHIZHMZWZFPXQC-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301471;MM301471;C=C(C)C(C)=C(C)NC=N;UUGIHOMRNKZOCZ-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301472;MM301472;C=C(C)C(O)COCCO;YJWYBFLYDZWXTL-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301473;MM301473;C=C(C)C(C)=C(C)NC=O;FPAZGZMCAZKKLA-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301474;MM301474;CC(=O)C(O)COCCO;KCHBQRDMXQOLSR-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301475;MM301475;CC(C(=N)N)=C(N)NC=N;REQLBPOEDRKSIV-UHFFFAOYSA-N;141.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301476;MM301476;N=C(N)C(O)COCCO;DVZBIFSXMFMAOT-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301477;MM301477;CC(C(N)=O)=C(N)N=CN;UUXTVFOHSIIULA-UHFFFAOYSA-N;142.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301478;MM301478;NCCOCC(O)C(N)=O;XZXKBJPEJCEFMG-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301479;MM301479;CC(NC=O)=C(F)C(N)=O;GSMKCBUWTLGKCX-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301480;MM301480;NC(=O)C(O)COCCO;XTEQPSIMQFYOBS-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301481;MM301481;N=CNC(N)=C(F)C(=N)N;FDCUTCYLIJQMES-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301482;MM301482;CN(C=O)N=CCC(=O)O;CRIZTGARNXALOH-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301483;MM301483;CC=CC(=O)NCC;ILZUEDQCWIOLLZ-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301484;MM301484;CC(=O)C(F)COCCO;DQYNINLEYACUOR-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301485;MM301485;C=NNC(N)=C(C)C(=N)N;LLVVNCSZJSROED-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301486;MM301486;C=C(F)C(F)COCCN;HGWAQRMXMJVQIO-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301487;MM301487;Nn1c(O)nnnc1=NO;XNBNMSDHWBSUFG-UHFFFAOYSA-N;144.09;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301488;MM301488;C=C(F)C(F)COCCO;DVQCQXKGRKSTJI-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301489;MM301489;COC=NOCC=O;NHKMTTQWHCRJLL-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301490;MM301490;C=C(C)C(C)COCOC;RAHIKUPQRQQMFK-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301491;MM301491;CC(=O)C(F)=C(C)OC=O;URPHJZABPGOLGU-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301492;MM301492;COCOCC(C)C(=N)N;GCOIEFZNQFYBPA-UHFFFAOYSA-N;146.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301493;MM301493;C=COC(C)=C(F)C(N)=O;CEHRWUDIXZAUOB-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301494;MM301494;C=C(C)C(O)COCOC;RABHQDKTCBFROI-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301495;MM301495;COCOCC(O)C(C)=O;QOAPCHZQMOMCKC-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301496;MM301496;CC(OC=O)=C(F)C(N)=O;JDZFSQAQDSOHFB-UHFFFAOYSA-N;147.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301497;MM301497;COCOCC(O)C(=N)N;UTWSTTDIPUPRSE-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301498;MM301498;C#CCC(C)=C(C)C(=C)C;HGLGBKNVTFKUIW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301499;MM301499;COCOCC(O)C(N)=O;HWKJUJWIADAFFL-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301500;MM301500;C#CCC(C)=C(C)C(C)=O;YJBXXJNOCDHESY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301501;MM301501;COCOCC(F)C(N)=O;WULWOQBFFUSNST-UHFFFAOYSA-N;151.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301502;MM301502;CC(F)CCCC(N)=O;KTEUNNNAMZOVIU-UHFFFAOYSA-N;133.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301503;MM301503;C=C(F)C(F)COCOC;ZSUMDHKZUZZUHF-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301504;MM301504;C#CCC(C)=C(C)C(=C)F;UFLLWYVDCACFND-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301505;MM301505;C=C(C)C(C)NCCCC;XHYOBNUYIQHAEN-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301506;MM301506;C#CCC(N)=C(C)C(=N)N;XLHPJCNTNOUZRD-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301507;MM301507;C=C(C)C(C)NCCCF;XSZMYGMQAKSQQP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301508;MM301508;CCC(=O)NC(C)CC;YWXTWKJVVCXINH-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301509;MM301509;CCCCNC(C)C(C)=O;CNRADNUKZUAXFW-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301510;MM301510;C#CCC(F)=C(C)C(=N)N;LHTROTHLGPMSMD-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301511;MM301511;CCCCNC(C)C(=N)N;GCGLEONDLJPYDZ-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301512;MM301512;C#CCC(F)=C(C)C(N)=O;RISVBMLSJYMUSZ-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301513;MM301513;CCCCNC(C)C(N)=O;RKZMJMGKIOXABK-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301514;MM301514;C#CCC(C)=C(F)C(=C)C;WHKXJADTRZEGHB-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301515;MM301515;CNCCNC(C)C(C)=O;UEJAWZIXEGUKMX-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301516;MM301516;C#CCC(C)=C(F)C(C)=O;LHECSOQDKXQFPH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301517;MM301517;C=C(C)C(C)NCCOC;ANZYGTNDANAKAW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301518;MM301518;C#CCC(C)=C(F)C(=O)O;KJSKFXRKMSWPBD-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301519;MM301519;C=C(C)C(C)OCCCF;QEUVYDYNUFRBLL-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301520;MM301520;C#CCC(N)=C(F)C(N)=O;NLXPLIJBIRKTGQ-UHFFFAOYSA-N;142.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301521;MM301521;CCCCOC(C)C(C)=O;YYEPPYBHQFCKIL-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301522;MM301522;CC=CC(C)=C(C)C(C)N;ZBCVOWWLHXYBFB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301523;MM301523;CC(OCCCO)C(=N)N;HUKOHAXUMOZNDL-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301524;MM301524;CC(C=CF)=C(C)C(C)N;ABNONYFQZNGMTI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301525;MM301525;CC(OCCCO)C(N)=O;MANRFYWISVCFOI-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301526;MM301526;CC(NC=O)C1(C)CC1;BLYPAINUYCJDHW-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301527;MM301527;C=C(F)C(C)OCCCC;GENWQDVQBNEFHA-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301528;MM301528;CC=CC(C)=C(C)C(F)F;RWXXDKXGZUPGEH-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301529;MM301529;CNCCOC(C)C(=N)N;QGZJMDDZPXFHNV-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301530;MM301530;CC(C=CF)=C(C)C(F)F;QKCCCSNPORGNRN-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301531;MM301531;C=C(C)C(C)OCOCC;GCDVXRYYKGTCTR-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301532;MM301532;CC(=C(F)C=CF)C(C)C;AOVJNBNYDFKDJL-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301533;MM301533;CCCCCN(C)C(C)=N;URJXOBVSCPALDH-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301534;MM301534;CC=CC(F)=C(C)C(C)N;FOLVZCOSBRRFPH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301535;MM301535;CC(=N)N(C)CCCCF;XHYRBBSSLFMTMZ-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301536;MM301536;CC=CC(F)=C(C)C(C)O;DNLOUTFJQHTOML-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301537;MM301537;CCCCCN(C)C(C)=O;SJDKCSDRXBBRKQ-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301538;MM301538;CC=CC(C)=C(F)C(C)C;URZRFUDXLDVEAH-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301539;MM301539;CC(=O)N(C)CCCCO;FVGNHXLGTVXAQL-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301540;MM301540;CC(C=NN)=C(C)C(C)C;NVPZJRZQCGWKMY-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301541;MM301541;CN(CCCCN)C(=N)N;MWZSHJTXHHIBSY-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301542;MM301542;CC1N=CN(C=N)C1=N;IKPQODCKRDTLQB-UHFFFAOYSA-N;124.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301543;MM301543;CN(CCCCF)C(=N)N;MNXZDHAFWHHMSL-UHFFFAOYSA-N;147.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301544;MM301544;CN(CCCCF)C(N)=O;DRJFPMINMYXDDJ-UHFFFAOYSA-N;148.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301545;MM301545;CC(C=NN)=C(C)C(C)F;LJTYCCVFJYPOQW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301546;MM301546;CCCCCN(N)C(C)=N;PAUGVAVPZHCKMV-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301547;MM301547;CC(C=NO)=C(C)C(C)F;CGAJTABBANGGRK-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301548;MM301548;CCCCCN(N)C(C)=O;OUUSGEMEYXYRHL-UHFFFAOYSA-N;144.22;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301549;MM301549;CC(C=NO)=C(N)C(C)N;CZJBRQQOLGLMPJ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301550;MM301550;CC(=O)N(N)CCCCF;LJKXZBPETLNQPH-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301551;MM301551;C=C(C)C(C)=C(C)C=CC;UYMZPNMCCIMHIP-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301552;MM301552;N=C(N)N(N)CCCCF;CYEGCNPHHQKSFO-UHFFFAOYSA-N;148.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301553;MM301553;CC=CC(C)=C(C)C(C)=O;KUPSODKGELHWBO-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301554;MM301554;CCC1N=CN(N)C1=N;HXTPKDYMRLSQSC-UHFFFAOYSA-N;126.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301555;MM301555;CC(=O)C(C)=C(C)C=CF;JVXFEWXJZSCGHN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301556;MM301556;Nc1[nH]nc(C=O)c1N;SWIPYDVOXXUHIC-UHFFFAOYSA-N;126.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301557;MM301557;CC=CC(C)=C(C)C(=N)N;VBJRYSUVJOOAMV-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301558;MM301558;CC(=O)N(O)CCCCF;LHGQVTWIKAGMNG-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301559;MM301559;CC(C=CF)=C(C)C(=N)N;XVCDDQFICNWXBN-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301560;MM301560;COCCCN(N)C(C)=N;LFAVZUQAPPMNOH-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301561;MM301561;CCCC1CC1NC=O;WONQNBFQTRPGKZ-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301562;MM301562;CN=C(C#N)NCC=O;JPFNLUCQFGYGJS-UHFFFAOYSA-N;125.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301563;MM301563;C=CC1(CNC=O)CC1;INWNUVFKEZGBSI-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301564;MM301564;COCCCN(O)C(C)=N;YSURIFRTXDXEKH-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301565;MM301565;CC=CC(C)=C(C)C(=O)O;ADDYLVBLOOFREO-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301566;MM301566;CCNCCN(C)C(N)=O;JSJFUDGLPSIMGU-UHFFFAOYSA-N;145.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301567;MM301567;CC(C=CF)=C(C)C(=O)O;SGKFKOIWRLFIFL-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301568;MM301568;CCNCCN(N)C(=N)N;BFWCWCJWRKPYBJ-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301569;MM301569;C=C(F)C(C)=C(C)C=CC;MSOCZWGKCNYYRE-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301570;MM301570;CCNCCN(N)C(N)=O;PPRQEDUAQPXBGR-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301571;MM301571;C=C(F)C(C)=C(C)C=CF;HEOQGTMCVJPIIF-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301572;MM301572;CCNCCN(O)C(=N)N;CATFMLIPARITDW-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301573;MM301573;CC=CC(N)=C(C)C(C)=O;SDSRSJPYAPKPMV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301574;MM301574;CCNCCN(O)C(N)=O;ZSDXCCNBRPPZJX-UHFFFAOYSA-N;147.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301575;MM301575;CC(=O)C(C)=C(N)C=CF;XRJJNPIRUNGILB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301576;MM301576;CCOCCN(C)C(C)=O;JHDDZVWTOISUJS-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301577;MM301577;CC=CC(N)=C(C)C(=N)N;MJYWDLJLZHUPBJ-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301578;MM301578;CCOCCN(C)C(=N)N;GMRICMVNJXLIIA-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301579;MM301579;CC(C(=N)N)=C(N)C=CF;HMRKDSNQFPMIEI-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301580;MM301580;CCOCCN(C)C(N)=O;MTSDVFBBNNBTGX-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301581;MM301581;CC(=CC(N)=O)C(C)(C)F;JLEUOLYKCVILDZ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301582;MM301582;CCOCCN(N)C(C)=N;BUIPPUMNTVBVPT-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301583;MM301583;N=Cn1nc(O)c(=N)n1O;GEZXJXIDHGHFHY-UHFFFAOYSA-N;143.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301584;MM301584;CCOCCN(N)C(=N)N;YSFIFPOZQRCLFV-UHFFFAOYSA-N;146.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301585;MM301585;CC(C(N)=O)=C(F)C=CF;INOJAGSROWUJLB-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301586;MM301586;CCOCCN(O)C(=N)N;PCBZMKPPVABYEA-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301587;MM301587;C=C(C)C(F)=C(C)C=CF;QQOKWVORVJOQQQ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301588;MM301588;CCOCCN(O)C(N)=O;WJIRXCDGIBDQRW-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301589;MM301589;CC(=O)C(F)=C(C)C=CF;ADQIRZOGRHRUNM-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301590;MM301590;CCCCNN(C)C(C)=O;IMJMASSEPLDIGX-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301591;MM301591;CC(=O)C(C)=C(C)C=NO;XJGOIVSYYBMNJS-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301592;MM301592;CCCNC(=O)C=C(N)N;MFVLEHWYEYJWOO-UHFFFAOYSA-N;143.19;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301593;MM301593;CC(C=NO)=C(C)C(N)=O;ODMHQCXWMQCOJZ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301594;MM301594;CN(NCCCN)C(=N)N;TYKRJVWVHNUUSG-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301595;MM301595;C=C(F)C(C)=C(C)C=NO;AEFUJPFUQDHELY-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301596;MM301596;CN(NCCCN)C(N)=O;QRZRZXRTBBIDAG-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301597;MM301597;CC(C(N)=O)=C(N)C=NO;ZNIRBOIOPCZSQV-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301598;MM301598;CON=C(N)C=CC(N)=O;ZHMJBZRXPYCDNO-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301599;MM301599;CC(=O)CC(C)(C)C(N)=O;BXFUHGABNFLKSP-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301600;MM301600;CNCCNN(C)C(C)=O;XONQTVJBJXSZQB-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301601;MM301601;CC(C=NN)=C(N)C(=N)N;ARKPOJVKTIFVII-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301602;MM301602;CNCCNN(C)C(=N)N;AYKFJTKPPIZSPK-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301603;MM301603;CC(C=NO)=C(N)C(=N)N;RMTMMCUQKYPLKU-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301604;MM301604;CNCCNN(C)C(N)=O;LRBDPTPOBHJOOE-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301605;MM301605;N=C(N)C(N)=C(N)C=NO;FHRYUCOWBBUSQE-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301606;MM301606;COCCNN(C)C(=N)N;KIQFHXQOQSQKRY-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301607;MM301607;N=C(N)C(N)=C(F)C=NN;ATZFOBBWKDHOOC-UHFFFAOYSA-N;145.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301608;MM301608;CC(F)=CC=C(C)C(N)=O;MYIJBOIOHCQKIM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301609;MM301609;C=C(CC)C(C)(C)NC=O;RKRVPYISDGLSFZ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301610;MM301610;CCCCON(C)C(C)=O;VQLXONQFJCJKDB-UHFFFAOYSA-N;145.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301611;MM301611;C=C(C)C(F)=C(C)C=NO;SPFYEPKICCDDPJ-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301612;MM301612;CN(OCCCO)C(=N)N;HDUXQJRMXIZWSD-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301613;MM301613;CC=C(C)C(C)(C)NC=O;JQNMSJSTEMDABC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301614;MM301614;CCCCON(C)C(N)=O;IUGMJDMGYJYQTI-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301615;MM301615;NC(=O)C(F)=C(N)C=NO;RNZUWPGCABSQIF-UHFFFAOYSA-N;147.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301616;MM301616;CN(OCCCN)C(N)=O;BCQAEJABIVYXHG-UHFFFAOYSA-N;147.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301617;MM301617;CC#CC(C)=C(C)C(C)C;AAQJTGSOHIHQAS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301618;MM301618;CN(OCCCO)C(N)=O;HRNNQOGOTLBDEO-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301619;MM301619;CC#CC(C)=C(C)C(C)N;VGGBXEMJKUUKFI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301620;MM301620;CNCCON(C)C(=N)N;IQOBRJYUWGMUQT-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301621;MM301621;C=C(C#CC)CCC(N)=O;KSQPWBVHOJMFRG-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301622;MM301622;CNCCON(C)C(N)=O;GAPYXQGWHKAWGP-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301623;MM301623;CC#CC(C)=C(C)C(C)F;LUHDSMYYCVZENZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301624;MM301624;COCCON(C)C(C)=N;RAMUCCRSJJDEPL-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301625;MM301625;CC#CC(C)=C(C)C(F)F;RSXZQXKGODQJPE-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301626;MM301626;COCCON(C)C(=N)N;PYOMVIIBVDVROR-UHFFFAOYSA-N;147.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301627;MM301627;CC#CC(F)=C(C)C(C)F;CXFMGAUOWOJTIL-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301628;MM301628;C=CCCCC(C)C(=C)C;QXJUPVWHNXMOOS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301629;MM301629;C=C(C)C(C)=C(C)C#CC;YAKJLRXHEZRHJN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301630;MM301630;C=C(C)C(C)CCCC=O;OOOQWGGZQKYQRG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301631;MM301631;CC#CC(C)=C(C)C(C)=O;IULAPAJURNDHJV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301632;MM301632;C=C(C)C(C)CCCC#N;WYUDREIZDQUBAT-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301633;MM301633;CC#CC(C)=C(C)C(=N)N;DHPRBQZYIFWVAL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301634;MM301634;C=CCCCC(C)C(C)=O;GYNMERYDVPDNCJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301635;MM301635;C#CCN(C)C=CC(N)=O;XZBFNVAEKXXSQZ-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301636;MM301636;C=CCCCC(C)C(=N)N;CYAZUJVCAQVGQV-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301637;MM301637;CC#CC(C)=C(C)C(=O)O;BILKEQJPCKEFQP-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301638;MM301638;CC(CCCC=O)C(=N)N;XAHVSOOCUDBQOM-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301639;MM301639;C=C(F)C(C)=C(C)C#CC;HWCKFGBXDHPTST-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301640;MM301640;C#CC(=O)CC=NN(C)C;LGZJGZNGSVFDOQ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301641;MM301641;C=C(C)C(C)=C(F)C#CC;RWZPHYVABCHZDM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301642;MM301642;CCC(F)CC(C)NC=O;TVTZQKXNHQTJHR-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301643;MM301643;C=C(C)C(F)=C(C)C#CC;CNXNXBASNFVDTG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301644;MM301644;C=CCCCC(C)C(=O)O;IVIKGKAWCGPRBQ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301645;MM301645;CC#CC(C)=C(F)C(C)=O;RDZDXFALSKKOCP-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301646;MM301646;C=Cn1onc(O)c1=N;BNLAILQPNKRGNC-UHFFFAOYSA-N;127.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301647;MM301647;CC#CC(F)=C(F)C(N)=O;COTLPZWKLPTEHC-UHFFFAOYSA-N;145.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301648;MM301648;CC(CCCC#N)C(=O)O;QKDWRTDFVISHOH-UHFFFAOYSA-N;141.17;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301649;MM301649;C=CCC1(O)CCC1C#N;HEBKSBZYUPEYPL-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301650;MM301650;C=C(F)C(C)CCCC=O;QTRHSOHFKNMWEL-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301651;MM301651;C#CC1CCC1(O)CC=O;GMWZRANJOCPZFN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301652;MM301652;C=CCCCC(N)C(=C)F;CSXBWNKZHQWHLN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301653;MM301653;CCNC(=O)CC=C(C)C;BUCAKQHMZOHNSB-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301654;MM301654;C=COC(C)=CCNC=O;AUWDVJDERXIITA-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301655;MM301655;C#CCC1(N)CNC1C#C;AUHVVZGRACQYQP-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301656;MM301656;C=CCCCC(O)C(=N)N;CECKQEIDEOHRAJ-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301657;MM301657;CCC(CC)C1(F)COC1;SKEBNBXWMXFFCT-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301658;MM301658;N=C(N)C(O)CCCC=O;GPDWXEHIYQJRBS-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301659;MM301659;CC=C(CC)C1(C)CCC1;NDXNWMBIYYLCHA-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301660;MM301660;N#CCCCC(O)C(=N)N;BBUJLMVCBJYSOQ-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301661;MM301661;CC=C(CC)C1(N)CNC1;UIIMEUYLNDXQRQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301662;MM301662;NC(=O)C(O)CCCC=O;YEOZVBVNHGKCDF-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301663;MM301663;C=CCCCC(F)C(=C)C;BDXDIZLMKFIDDP-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301664;MM301664;CC=C(CC)C1(N)COC1;YQBZHRBOGVLKRB-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301665;MM301665;C=CCCCC(F)C(C)=O;RLKINLRLYYITSK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301666;MM301666;C=CC(=CC)C1(C)CCC1;GPLJAQHCCLIKPT-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301667;MM301667;CC(=O)C(F)CCCC=O;QOFKNYJPFIUAOH-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301668;MM301668;C=CC(=CC)C1(F)CCC1;NLQINWIHMVFVAQ-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301669;MM301669;C=CCCCC(F)C(N)=O;GLQAWDOVWAJQLG-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301670;MM301670;C=CC(=CC)C1(C)CNC1;YKRRVTRHIVVAJY-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301671;MM301671;NC(=O)C(F)CCCC=O;MRFQKUKKDVIHDA-UHFFFAOYSA-N;147.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301672;MM301672;C=CC(=CC)C1(O)COC1;YEPXQGGYNJFMPI-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301673;MM301673;C=C(F)C(F)CCCC=O;ISQWHNWKNPUTOB-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301674;MM301674;C=C(C)OCC(=C)C(N)=O;XXHRGLHCDLSNOZ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301675;MM301675;C=C(C)C(C)CCNC=N;BZTKCYRMUNGWAQ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301676;MM301676;C#CCC1(C)C(N)C1CN;LAGPVENMDOVJPI-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301677;MM301677;C=C(F)C(C)CCNC=N;CBYNRVFLGNFDHH-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301678;MM301678;C#CCC1(C)C(N)C1C#C;ZWKJTLVEUXTMRF-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301679;MM301679;COC=CCC(=O)C(=N)N;ZZNSLFSRXCBEMM-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301680;MM301680;CNC(=O)CC1(C)CC1C;DLIMZYLLFYCGCL-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301681;MM301681;C=C(C)C(N)CCNC=N;SRDADYSWNBXIJM-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301682;MM301682;C#CCC1CC1(C)CCC;LLJXZYTUFZCHMW-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301683;MM301683;C=C(C)C(N)CCNC=O;ZBKLSZRCNOJCLT-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301684;MM301684;C=CCC1(C)CC1CCC;SBMGBBNZQLSCNS-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301685;MM301685;C=C(C)C(F)CCNC=N;SVGNRMRSJUWCNV-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301686;MM301686;C=C(CC)CC(=O)NCC;QZKRAQSAUYAWAV-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301687;MM301687;CC(C=CF)=C(C)C(N)=O;VYHCRYIVHXCEDN-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301688;MM301688;C=CCC1(N)CC1CCF;CPFCZUSNNNSCRM-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301689;MM301689;CC(=O)C(F)CCN=CN;GBXQLYPZTAVOAM-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301690;MM301690;CNCC1CC1(C)CC#N;LMYCYDKXSKULKV-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301691;MM301691;C=C(F)C(F)CCNC=O;VSMJSNXXFRJLQY-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301692;MM301692;CCNC1CC1(C)CC#N;UQMZMUGXOJNJDK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301693;MM301693;C=NNCCC(C)C(=C)C;TWNYQRXDKSWDSU-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301694;MM301694;CCCN1CC1(C)CC#N;FOHYHYHCQASQCP-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301695;MM301695;C=NNCCC(C)C(=N)N;TUXVGFZCACBMED-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301696;MM301696;C=CCC1(C)CC1CC#N;XPDQWIBYMRYSMY-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301697;MM301697;C=COCCC(C)C(=C)C;QYUJDPCHXXDYGI-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301698;MM301698;C=CCC1(C)CC1NC=N;DJUITYPSCRMPKL-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301699;MM301699;C=C(C)C(=CC=O)C(N)=O;SVIAVQWZHXBKSZ-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301700;MM301700;CC(CCOC=O)C(N)=O;UWZJVNLKCJBDBL-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301701;MM301701;C=CCC1(C)NC1CC#N;DDLQUPDQYINKTN-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301702;MM301702;O=C(O)CCON=CCO;UXNHJXPJODTNTR-UHFFFAOYSA-N;147.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301703;MM301703;C#CCC1CC1(N)CC=C;DNHAJIANSLQCLF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301704;MM301704;C=C(F)C(C)CCOC=O;AYGIAAAEHDNDOM-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301705;MM301705;C#CCC1(C)CC1CCC;NDQJZXIWYXADMF-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301706;MM301706;C=COCCC(O)C(=C)C;RZKVIZUYOLUVEI-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301707;MM301707;C#CCC1(C)CC1CCN;JBHIVDIZMGTQAK-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301708;MM301708;CN=C(NN(C)C)C(=O)O;AJYSBVJWLZLRKY-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301709;MM301709;C#CCC1(N)CC1CCC;CUORWAULHZYERW-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301710;MM301710;C=C(CC1CC1F)C(N)=O;KQIFLZIRKZTBKS-UHFFFAOYSA-N;143.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301711;MM301711;C#CCC1(N)CC1CCO;XRCGXOCCHWSDSB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301712;MM301712;C=NOCCC(C)C(=N)N;SBFUESREVYGASG-UHFFFAOYSA-N;143.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301713;MM301713;C#CCC1(N)CC1CCF;MQQUCJRBHJGHMP-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301714;MM301714;C=CC=CN=C(N)C(=O)O;KGBVKFFGZVIBGM-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301715;MM301715;C#CCC1(O)CC1CCO;DKWIFCRBGXHFIF-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301716;MM301716;C=NOCCC(N)C(=C)C;NNKAYDSTJJFRBO-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301717;MM301717;C#CCC1(C)NC1CCN;HVLMTHGXYYPZAP-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301718;MM301718;C=NOCCC(F)C(=C)C;ZCESNMBJAZKIPO-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301719;MM301719;C#CCC1(C)NC1CNC;FTEMVSWNKJCLRU-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301720;MM301720;C=CCNCC(C)C(=C)C;JYPDNYPXNOCKLV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301721;MM301721;C#CCC1(C)OC1CNC;UCVKOOPOQFTJIQ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301722;MM301722;C=C(C)C(C)CNCC=O;WFJMPLAACNTVMX-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301723;MM301723;C#CCC1(C)CC1CC=C;SPXCDNZPRPCKGC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301724;MM301724;C=C(C)C(C)CNCC#N;ZKUVBACVRTWPEH-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301725;MM301725;C#CCC1(C)CC1CC#N;JZAHWUWIJCHVGL-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301726;MM301726;C=CCNCC(C)C(C)=O;GCZMBOLUMOXCPD-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301727;MM301727;C#CCC1(N)CC1CC=C;FSOCBVYMPPTAKE-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301728;MM301728;CC1(C#N)NC1C(=O)C=O;YWNMCZBHJORLRL-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301729;MM301729;C#CCC1(O)CC1CC#N;FWLHLYSQYHQIDV-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301730;MM301730;C=CCNCC(C)C(=N)N;WXIBPLDBULAVED-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301731;MM301731;C#CCC1(O)CC1OC=O;AGFCJQPZWOKZHZ-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301732;MM301732;CC(CNCC#N)C(=N)N;YQGMYVVDVHRPPT-UHFFFAOYSA-N;140.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301733;MM301733;C#CCC1(C)NC1CC#N;CTYRSYVPJMZXPS-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301734;MM301734;C=CCNCC(C)C(N)=O;APJQFIIWYRIGAN-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301735;MM301735;C#CCC1(C)CN1NC=O;CPRDZQIHKNPFGM-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301736;MM301736;N=C(NC=CF)C(=O)CF;PDQHWQAOWPVDBW-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301737;MM301737;C#CCC1CC1(C)CC#C;FTUQJOMAPPSPLX-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301738;MM301738;Cc1c(F)[nH]n(C)c1=NO;JTJRSCXPTPDMEM-UHFFFAOYSA-N;145.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301739;MM301739;CC=CC1CC1(C)CC#N;QXYZYXGASMSVOJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301740;MM301740;C=CCNCC(C)C(=C)F;VVNAPYFEVPHDNC-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301741;MM301741;CC=CC1NC1(C)CC#N;IXEQSQCNGHQTFM-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301742;MM301742;C=CCNCC(N)C(=N)N;GNYXBRKBSFIIHE-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301743;MM301743;C=CCC1(C)OC1C=CC;KXXFZGSJNMIFDD-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301744;MM301744;C=CCNCC(O)C(=C)C;PESQFYSVAILJGI-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301745;MM301745;C=CCC1(C)CN1C=NC;UYKZMNXJRPJUON-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301746;MM301746;CNC(=O)C(C)=CCOC;WAGMGBJWRGZOFC-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301747;MM301747;CC=C(C)CC(=O)NCC;YGEZDAVESRBYAX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301748;MM301748;C=CCNCC(O)C(=N)N;RJIIRZSZKZUSAD-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301749;MM301749;C=CCC1(C)CN1N=CC;UZXPQIHDMDAJIL-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301750;MM301750;C=CCNCC(O)C(N)=O;XJHQQFQROJBMPE-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301751;MM301751;C#CCC1(C)CC1C=CC;KJQLAKLMSIFBIV-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301752;MM301752;CCC=NN=CC(C)C=O;VLGYAKWGHLLQII-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301753;MM301753;C#CCC1(N)CC1C=CC;VCORHLGTIHTNGO-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301754;MM301754;CCCC(CNC=O)=NN;BUQYDOSTCWFKIM-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301755;MM301755;CN(C)N=C(N)C(=O)CF;HEOOJCKNCKBJIF-UHFFFAOYSA-N;147.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301756;MM301756;C=C(C)C(C)CNNC=N;IWMOKKHWNUNJEA-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301757;MM301757;C#CCC1(C)NC1C=CF;BMFWTGVCYXPVNQ-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301758;MM301758;C=CC(CNC=O)C(C)F;YUPZGVRRMUSCRS-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301759;MM301759;C#CCC1(C)NC1C=NO;NWIDKMCMZDINHS-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301760;MM301760;C=CCOCC(C)C(=C)C;FYSYYTLYWHSPOW-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301761;MM301761;C#CCC1(C)OC1C=CC;DVLUGRCBANNYAB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301762;MM301762;C=C(C)C(C)COCC#N;BKTWLNVYNRLLJQ-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301763;MM301763;C=CCC1(C)CC1C#CC;DQOMJXHDLVEQFD-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301764;MM301764;CC(=O)C(C)COCC=O;HGEUMGVYTQNZEP-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301765;MM301765;CC#CC1CC1(C)CC#N;DZZWEHWMVYWLHY-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301766;MM301766;CC(COCC=O)C(=N)N;BWPSWORWIVNILL-UHFFFAOYSA-N;144.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301767;MM301767;C#CCC1(C)CC1C#CC;HKPHZFYCCZJDOH-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301768;MM301768;CC(COCC#N)C(=N)N;XHMXLENCPDVZKS-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301769;MM301769;C#CCC1(C)NC1C#CC;JNNWOIRFUFGZFN-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301770;MM301770;C#CC=NNCCC(=O)O;GATVMVYEJKXUKY-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301771;MM301771;C#CCC1(C)OC1C#CC;FFAQVAAZVXUQOW-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301772;MM301772;C=CCOCC(N)C(=C)C;BDZIIPRJBMKYGX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301773;MM301773;CCCCCC1(C)CC1C;MIUGYZWCPHQTLS-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301774;MM301774;C=CCOCC(O)C(C)=O;PIRPVXPELYHWDL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301775;MM301775;CC1CC1(C)CCCCN;HZYNTEURFVKQEO-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301776;MM301776;CC(=O)C(O)COCC#N;WFZUDDNNYAGRDV-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301777;MM301777;C#CC(C)C(N)=CC(N)=O;XPLDPPPTKZMXTK-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301778;MM301778;C=CCOCC(O)C(=N)N;GTOOUAUKLPDWGC-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301779;MM301779;CCCCCC1(C)CC1N;QYATUFKHFHAEPR-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301780;MM301780;N=C(N)C(O)COCC=O;HFCKGOJPRFMGBY-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301781;MM301781;CC1(CCCCO)CC1N;CVEKSCTXEXFATE-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301782;MM301782;N#CCOCC(O)C(=N)N;DHLKHACQSJLPMS-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301783;MM301783;CC1(CCCCF)CC1N;NTGKBLHXHSISKS-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301784;MM301784;C=CCOCC(O)C(N)=O;LGILALMPWNNPLL-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301785;MM301785;CC(C=CC=NN)=CCO;NVFDBWZULDWYFD-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301786;MM301786;NC(=O)C(O)COCC=O;YSBYJCQPADAJOM-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301787;MM301787;CC1(CCCCN)CC1O;MTVQAVDPHZMWKQ-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301788;MM301788;Cc1c(NO)n[nH]c1O;CHBFAAFZJODYTQ-UHFFFAOYSA-N;129.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301789;MM301789;C=CCOCC(=C)C(N)=O;KFOCNTJGTLDECF-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301790;MM301790;N=CNN=c1[nH]c(=O)[nH]o1;CGXORMWCGAZYFQ-UHFFFAOYSA-N;143.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301791;MM301791;C=C(COC=CC)C(N)=O;NWNKRBCMTUYUBT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301792;MM301792;O=CC1(F)CC1CC(=O)O;KUULZXRURJNPHD-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301793;MM301793;CCCCCC1(C)CC1F;FIPPVPQRQBXPEI-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301794;MM301794;C=CCOCC(O)C(=C)F;PASVRSRZRYVMND-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301795;MM301795;C#CC=CCC(C)C(N)=O;UNFISMQUCXSHGF-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301796;MM301796;C=C(F)C(O)COCC#N;YTUXRSPYPSJDLZ-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301797;MM301797;CCCCCC1(N)CC1C;HYZAZEOJBTWELJ-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301798;MM301798;C=C(C)C(F)COCC#N;XCDNNAZJTXSTAR-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301799;MM301799;CC1CC1(N)CCCCN;SJIXRPCZLCCIQU-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301800;MM301800;CC1CC1(N)CCCCO;XADNINQBYWKMGC-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301801;MM301801;C=C(C)C(C)CONC=N;QDWCVPSYNNGKHV-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301802;MM301802;CCCCCC1(N)CC1N;CWXIHSQSYWNEHB-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301803;MM301803;CC(CONC=N)C(=N)N;ZWMWLHKLPVNRCO-UHFFFAOYSA-N;144.18;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301804;MM301804;NC1(CCCCO)CC1O;VQZWYJBTAARMLX-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301805;MM301805;CC(CONC=O)C(=N)N;ZNLOTGCLMSQHSG-UHFFFAOYSA-N;145.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301806;MM301806;C=CC(C=C)=CC(=O)NC;REPNCXJGIVAOQS-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301807;MM301807;C=C(F)C(C)CONC=N;YABQBNOSTALPDI-UHFFFAOYSA-N;146.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301808;MM301808;CC1CC1(O)CCCCN;FTLAPCKMBKJNPU-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301809;MM301809;C=C(C)C(N)CONC=O;YGDJMVVICBTOTH-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301810;MM301810;NCCCCC1(O)CC1N;PDUSSHQJEUILHM-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301811;MM301811;N=CNOCC(N)C(=N)N;URXXAGOGOQWFQG-UHFFFAOYSA-N;145.17;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301812;MM301812;OCCCCC1(O)CC1O;XXSZOZQCMVZDDN-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301813;MM301813;C=C(C)C(O)CONC=N;WBYVSXFQJFPQPY-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301814;MM301814;CCCCCC1(F)CC1C;SNHIEMQCJVOHBK-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301815;MM301815;N=CNOCC(O)C(=N)N;IZWSIUNVYDJBME-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301816;MM301816;CC1CC1(F)CCCCN;LMTSRAZBQSLBQL-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301817;MM301817;C=CCCNC(C)C(=C)C;SZOOWRSHDPSTGZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301818;MM301818;C=CC(C=C)CNC(C)=O;GDSOBQLXKJTFSS-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301819;MM301819;C=C(C)C(C)NCCC=O;PZFDLBZHIBITOS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301820;MM301820;CCCCCC1(F)CC1N;ANCNLSZTYKMMFF-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301821;MM301821;C=CCCNC(C)C(C)=O;UYAKNFDOZVJCLF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301822;MM301822;CCCCCC1(F)CC1O;JATLPMQNMQHFMF-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301823;MM301823;CC(NCCC#N)C(=N)N;NZHFAMPJFRHTTN-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301824;MM301824;CCCCCC1(F)CC1F;HNJXJEKFIFEKIV-UHFFFAOYSA-N;148.2;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301825;MM301825;C=C(F)C(C)NCCC#N;SIIPVMLWNDLQJB-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301826;MM301826;CNCCCC1(C)CC1C;GQFWKUZURSDYGQ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301827;MM301827;C=CCCOC(C)C(C)=O;WEYKWMANLHSEES-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301828;MM301828;CNCCCC1(C)CC1N;RFQGQSNMGDPDDX-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301829;MM301829;C=CCCOC(C)C(=N)N;AZZMFTCXLGFAGN-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301830;MM301830;CNCCCC1(N)CC1C;XUPHGKQVNPOYLA-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301831;MM301831;C=CCCOC(C)C(N)=O;ZOOPQWCVTXGJAH-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301832;MM301832;CNCCCC1(N)CC1N;FLVMVQMMXKLKIW-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301833;MM301833;C=C(C(=O)O)C(=O)CC;OTTQPBREKOYXMP-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301834;MM301834;CNCCCC1(N)CC1O;FEHKJTIPZKMLEA-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301835;MM301835;CCOC(=O)C(C)C(=O)O;REGOCDRDNZNRMC-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301836;MM301836;CNCCCC1(O)CC1N;IGQFDKBSHFAZAC-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301837;MM301837;C=CCCCN(C)C(C)=N;NUOQYXXQHKEMDZ-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301838;MM301838;CNCCCC1(O)CC1O;DYYJTBVJJMZBOT-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301839;MM301839;C=CCCCN(C)C(C)=O;XUBIVAHAAJCIGQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301840;MM301840;CNCCCC1(F)CC1C;NVGOMZMKKQCDLO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301841;MM301841;CC(=O)N(C)CCCC#N;VQACXUPKKZXLGZ-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301842;MM301842;COCCCC1(C)CC1C;QJPKWFHRDZQMTH-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301843;MM301843;C=CCCCN(C)C(=N)N;SXHQRCMGSWKXDB-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301844;MM301844;COCCCC1(C)CC1N;WDODNNMAOPOXQU-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301845;MM301845;CN(CCCC=O)C(=N)N;MPLNPOTXQFYBOW-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301846;MM301846;CCC1(CC(=O)NC)CC1;CFYRHYHBTQTYLB-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301847;MM301847;C=CCCCN(N)C(C)=O;PBGQXKQFJLKHJG-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301848;MM301848;COCCCC1(N)CC1C;KIPXJOWJMVYLRN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301849;MM301849;CC(=N)N(O)CCCC#N;BLAOQIKPTSOXQD-UHFFFAOYSA-N;141.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301850;MM301850;COCCCC1(O)CC1C;AKMYIIRNSQVONB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301851;MM301851;CC(=O)N(O)CCCC=O;DKZRQZXKNPGRMJ-UHFFFAOYSA-N;145.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301852;MM301852;COCCCC1(O)CC1N;XRWAVSRIGONGOL-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301853;MM301853;CC(=N)N(C)CCNC=N;DPJYMPSAMPGKGI-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301854;MM301854;CCNCCC1(C)CC1C;DBADBCLWFOOWFY-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301855;MM301855;CCNCCC1(C)CC1N;AFKYWJABQKHADP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301856;MM301856;CC(=N)N(C)CCNC=O;FPDFEDKJTAXZEE-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301857;MM301857;CCNCCC1(N)CC1C;HQVXOAGVLHIQGC-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301858;MM301858;CN(CCNC=O)C(=N)N;RKFRISQCNTVNRY-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301859;MM301859;CCNCCC1(O)CC1C;QQELZFIFXWVCIM-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301860;MM301860;CN(CCNC=O)C(N)=O;BAVUWTOYAUFJGY-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301861;MM301861;CCNCCC1(F)CC1C;SFFZWLPFVVQGBO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301862;MM301862;CC(=N)N(N)CCNC=O;KATPFEAXCHHRIU-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301863;MM301863;CCOCCC1(C)CC1C;ZPYLVSVXHGUKDJ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301864;MM301864;N=CNCCN(N)C(N)=O;YFJYTCBJSFSGST-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301865;MM301865;CCOCCC1(C)CC1N;CYDWNXDXFCSCQB-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301866;MM301866;CC(C)C(CNC=O)=NN;ITCGGAXJGBEZLF-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301867;MM301867;CCOCCC1(C)CC1O;QJGWKIMLGTTYEH-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301868;MM301868;CC(=N)N(O)CCNC=O;JAJOOVQHAHNLFU-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301869;MM301869;CCOCCC1(N)CC1C;FBHRSYVAXPBSLY-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301870;MM301870;N=C(N)N(O)CCNC=O;XRIMUNGLLIZLLD-UHFFFAOYSA-N;146.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301871;MM301871;CCOCCC1(N)CC1N;PHSADNOIQDYXMG-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301872;MM301872;C=NNCCN(C)C(C)=N;FYGBWCUAMBVUDN-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301873;MM301873;CCOCCC1(N)CC1O;LMIBZKDAODXQQQ-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301874;MM301874;C=NNCCN(C)C(C)=O;LNIKWLLIVLNMIX-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301875;MM301875;CCOCCC1(N)CC1F;AYHIRSYYOPRTLC-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301876;MM301876;CC(=N)N(C)CCOC=O;UBVOXYTUXLXVNM-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301877;MM301877;CCOCCC1(O)CC1C;MZNKTZUDXGIALL-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301878;MM301878;C=COCCN(C)C(=N)N;WHYJTJFVSXIBMW-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301879;MM301879;CCOCCC1(O)CC1N;OFYVBEWQRNSXPI-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301880;MM301880;CN(CCOC=O)C(=N)N;HYVWYJGIHLSPER-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301881;MM301881;CCOCCC1(O)CC1O;SDCONGBELWAPDL-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301882;MM301882;C=COCCN(C)C(N)=O;BEBQSQQUBWVPHK-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301883;MM301883;CCOCCC1(F)CC1C;AMTPWWKSKMJGJK-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301884;MM301884;C=COCCN(N)C(C)=N;SPCHJRDSNKAMPH-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301885;MM301885;CCOCCC1(F)CC1N;AVBYQKBJVAKMHH-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301886;MM301886;C=COCCN(N)C(=N)N;ZYDKBUKCRKGISZ-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301887;MM301887;CCCNCC1(C)CC1C;AQZLHAJSQIONJG-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301888;MM301888;N=C(N)N(N)CCOC=O;GQFXDDIURPFSCE-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301889;MM301889;CC1CC1(C)CNCCN;CEKBQKNFILJASV-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301890;MM301890;CC(=N)N(O)CCOC=O;KSBIRUDKUABDCT-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301891;MM301891;CCCNCC1(C)CC1N;DHFRRTGIIQRIPF-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301892;MM301892;C=NOCCN(C)C(=N)N;GJEMBFFSTQHMJB-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301893;MM301893;CC1(CNCCN)CC1N;UVTGKRAGOJGEEZ-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301894;MM301894;CN1CCC(C#N)=CC1=O;MPFWNOIBTBNOCE-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301895;MM301895;CC1(CNCCO)CC1N;XBZQDPCVTFGTJG-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301896;MM301896;C=NOCCN(N)C(C)=N;FKVKHOLNKRLJQO-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301897;MM301897;CCCNCC1(C)CC1O;FGYUCONZVAEOKX-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301898;MM301898;CNc1[nH]cc(C=O)c1C;SIGZZUWHNNMCTM-UHFFFAOYSA-N;138.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301899;MM301899;CC1(CNCCN)CC1O;FFVNKWDAOSNGHE-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301900;MM301900;C=NOCCN(O)C(=N)N;HURKQBAIEVUNBC-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301901;MM301901;CC1(CNCCO)CC1O;LHDJMXFZJSOHQI-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301902;MM301902;C=CCCNN(C)C(C)=O;BEGWGSYHEUVCCD-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301903;MM301903;CCCNCC1(C)CC1F;UBSGLVRADVYIED-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301904;MM301904;C=CCCON(C)C(C)=O;MJLSOHYGZJCCDF-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301905;MM301905;CCCNCC1(N)CC1C;KYJGESMUVQUIPD-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301906;MM301906;CC(=O)N(C)OCCC=O;OOEFCJHEXYWKQK-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301907;MM301907;CC1CC1(N)CNCCN;RORQLNQXLQNPHN-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301908;MM301908;CN(OCCC=O)C(N)=O;WFNTXGOVQMLTMK-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301909;MM301909;CC1CC1(N)CNCCO;FLNYSZFVZHZPQU-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301910;MM301910;CN(OCOC=O)C(=N)N;YGGPFPFAOPHXND-UHFFFAOYSA-N;147.13;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301911;MM301911;CC1CC1(N)CNCCF;SGACXTXGJFMNOQ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301912;MM301912;CN(OCOC=O)C(N)=O;VWGRIRWCIZLERB-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301913;MM301913;CCCNCC1(N)CC1N;QXEYFAYWPAFUIE-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301914;MM301914;C=NOCON(C)C(=N)N;HNLHXGZIWVCFFQ-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301915;MM301915;NCCNCC1(N)CC1N;DXDMJMBDDZOEFF-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301916;MM301916;CN1C(C=O)C1C(=O)C=O;WIKLPSKQOCUHNK-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301917;MM301917;CCCNCC1(N)CC1O;QHLNQRXRVZZVKY-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301918;MM301918;C#CCCCC(C)C(=C)C;LHCLVIOIYHDPKF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301919;MM301919;NCCNCC1(N)CC1O;OLZDLGNVSOJAIX-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301920;MM301920;C#CCCCC(C)C(=N)N;NPHPMIAEXUAHAS-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301921;MM301921;NC1(CNCCO)CC1O;VPZXPMFPFGUBDO-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301922;MM301922;C#CCCCC(C)C(=O)O;JKTKVRLSRUVXRN-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301923;MM301923;CCCNCC1(N)CC1F;ITCNBTJWERUVEC-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301924;MM301924;C#CCCCC(N)C(=N)N;CHVFWKYGXAVNAI-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301925;MM301925;NCCNCC1(N)CC1F;SDLHEGHMLITFCV-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301926;MM301926;C#CCCCC(O)C(=N)N;VPHLFQMKHQBDMX-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301927;MM301927;CCCNCC1(O)CC1C;JKEREVSKUQGAJE-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301928;MM301928;C#CCCCC(F)C(C)=O;KRYUKYFVMHPWTC-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301929;MM301929;CC1CC1(O)CNCCN;SUHDRJXZPCCFQR-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301930;MM301930;C#CCCCC(F)C(=N)N;HZARQUBQXQQIPB-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301931;MM301931;CC1CC1(O)CNCCO;QVFYYRVUJOEUCE-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301932;MM301932;C#CCCCC(F)C(N)=O;TXAPBBFTDORFEO-UHFFFAOYSA-N;143.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301933;MM301933;CCCNCC1(O)CC1N;SKNGPDROZJVOTL-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301934;MM301934;C#CCCCC(F)C(=O)O;VGFYPWZLBSBOPX-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301935;MM301935;NCCNCC1(O)CC1N;NBEPZCZHLQPMFA-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301936;MM301936;C#CCNCC(C)C(=C)C;WKYDQVIOHDSKTK-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301937;MM301937;NC1CC1(O)CNCCO;XVGRXIDYLWPRLO-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301938;MM301938;C#CCNCC(C)C(=C)F;FRKPYSDGTMPVIL-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301939;MM301939;CCCNCC1(O)CC1O;QSUMLCSTYWTXGP-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301940;MM301940;C#CCNCC(O)C(=C)C;KYRQWZXCVDOLBM-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301941;MM301941;NCCNCC1(O)CC1O;QBXNSGFYAUFIIS-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301942;MM301942;C#CCOCC(C)C(=C)C;RIAPBRSKZPNOTA-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301943;MM301943;CCCNCC1(O)CC1F;IFLUVIMMJOGBLL-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301944;MM301944;C#CCOCC(C)C(C)=O;DEZVAYPVGIQZMN-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301945;MM301945;CCCNCC1(F)CC1C;MLUGVWDGVSKENZ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301946;MM301946;C#CCOCC(C)C(N)=O;IHRHJKYPMXFPGR-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301947;MM301947;CC1CC1(F)CNCCN;OYTLOWALRBYUQQ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301948;MM301948;C#CCOCC(C)C(=C)F;YDXSARCEOUWVLK-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301949;MM301949;CC1CC1(F)CNCCO;ZMUREFJHEJXRFZ-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301950;MM301950;CCCNCC1(F)CC1N;MTAODPVWFPQAQQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301951;MM301951;C#CCOCC(N)C(=N)N;GRVTVZFPEJHSAN-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301952;MM301952;NCCNCC1(F)CC1N;MAFKDDAELRSSSF-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301953;MM301953;C#CCOCC(O)C(=N)N;JDCWAKJSPQVZED-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301954;MM301954;CCCNCC1(F)CC1O;FJWSRSWDYGBLDA-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301955;MM301955;C#CCOCC(O)C(N)=O;YPKPZPQFBJDVAD-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301956;MM301956;CCCOCC1(C)CC1C;SVYQTPZBVAWIID-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301957;MM301957;CN(C)C(=O)CC(=O)O;AKDXGMLXZNIGBD-UHFFFAOYSA-N;131.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301958;MM301958;CC1CC1(C)COCCN;NYGDSCAKPUNMBF-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301959;MM301959;C#CCOCC(O)C(=C)F;VWIIEMGXRWRZSF-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301960;MM301960;CC1CC1(C)COCCO;GKJGNNSVJVOWSV-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301961;MM301961;C#CCOCC(F)C(=C)C;OMXCSMYIKVOXPI-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301962;MM301962;CCCOCC1(C)CC1N;WHZKCRKFQDIBJY-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301963;MM301963;C#CCOCC(F)C(N)=O;ZSGIZOKWBOPZBE-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301964;MM301964;CC1(COCCN)CC1N;ZAARKMIVRSCCBL-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301965;MM301965;C#CCCNC(C)C(=C)C;MPHMEQWKKLSGBA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301966;MM301966;CC1(COCCN)CC1O;SXOYBPHXMQMOLF-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301967;MM301967;C#CCCOC(C)C(C)=O;TUSATYFTMIQSKB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301968;MM301968;CC1(COCCO)CC1O;LMFFEKPULXPOAP-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301969;MM301969;C#CCCOC(C)C(=N)N;LJBZHUMWASJKJG-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301970;MM301970;CCCOCC1(N)CC1C;QRNIKUUJWDEMRT-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301971;MM301971;C#CCCCN(C)C(C)=O;MSYJLGLMUBKKHI-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301972;MM301972;CC1CC1(N)COCCN;KYBSOLQEIGZWIC-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301973;MM301973;C#CCCCN(N)C(=N)N;CDOGYDBKUGDAJD-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301974;MM301974;CC1CC1(N)COCCF;UIYOCXKJCKENBO-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301975;MM301975;CC=COC=CCNC=O;IZDAOOAZIKQXFE-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301976;MM301976;CCCOCC1(N)CC1N;RVGLVVVCTAUGGD-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301977;MM301977;C#CCCCN(O)C(C)=N;BLQKXMHUACJIQF-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301978;MM301978;C#CCCCN(O)C(=N)N;WUKOFUBFJUPKJX-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301979;MM301979;NCCOCC1(N)CC1N;FHBDNQLZVDQGPI-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301980;MM301980;C#CCCCN(O)C(N)=O;RBBSIJLDOXCQHF-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301981;MM301981;NC1(COCCO)CC1O;CPZOYISIVLPVNS-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301982;MM301982;C#CCCNN(C)C(C)=N;ILEFWVDTDKUNLB-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301983;MM301983;NC1(COCCF)CC1O;LJRCCHKNRMYLPQ-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301984;MM301984;CC=NNCC(N)=O;AVQVLWXUUHWPSF-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301985;MM301985;NCCOCC1(N)CC1F;MAIFXWSVZORKQN-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301986;MM301986;C#CCCON(C)C(=N)N;XULWRHPHFMTUAJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301987;MM301987;CCCOCC1(O)CC1C;SKXRVYFXNBKCNL-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301988;MM301988;C#CCCON(C)C(N)=O;BBJUNIHHQXKZPG-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301989;MM301989;CC1CC1(O)COCCN;FUSVEGJLQAEEOF-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301990;MM301990;C=C(CCCCC)C(C)C;UCZDCSGXQRZVQX-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301991;MM301991;CC1CC1(O)COCCO;VUTOOECDGBQJGB-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301992;MM301992;C=C(CCCCN)C(C)N;PSMOWURJIBIYKR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301993;MM301993;NCCOCC1(O)CC1O;POSMDMPIBYSVRH-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301994;MM301994;C=C(CCCCO)C(C)N;LGNIQAHSPVAMHI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301995;MM301995;CCCOCC1(O)CC1F;FBJOMZAXLPJFPV-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301996;MM301996;C=CC1NC1C(N)=O;PHOFGWRCHOIQNV-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301997;MM301997;CCCOCC1(F)CC1C;HBSDRWPNWPGKQO-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301998;MM301998;C=C(CCCCN)C(C)O;YHTRRBKRNXGBSR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM301999;MM301999;CC1CC1(F)COCCN;RTUYOJYBVDNTDE-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302000;MM302000;CC(=O)NC1CC1(C)C;WVRHKWFZMFTAQS-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302001;MM302001;CCCOCC1(F)CC1N;XHUXCHHHODQENE-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302002;MM302002;CN(C=O)C=CC(N)=O;OEXBJAMXNSIWKA-UHFFFAOYSA-N;128.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302003;MM302003;NCCOCC1(F)CC1N;PAMIWAUAKFYWPK-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302004;MM302004;C=C(CCCCC)C(C)F;YIMFXAPXJIEGRR-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302005;MM302005;NCCOCC1(F)CC1O;CLKUMWPMKYSPIN-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302006;MM302006;C=C(CCCCN)C(C)F;AQEVVPLRPJTRSW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302007;MM302007;OCCOCC1(F)CC1O;YCUHUWBHUQPSSY-UHFFFAOYSA-N;150.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302008;MM302008;C=C(CCCCN)C(F)F;SUQHNPUFZIFTQZ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302009;MM302009;COCOCC1(C)CC1O;VSIVVPPOEHZEAS-UHFFFAOYSA-N;146.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302010;MM302010;CCCCCC(=O)C(C)C;ODSKXCNVESXQCZ-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302011;MM302011;COCOCC1(O)CC1C;RGPUCDGBFSVKRA-UHFFFAOYSA-N;146.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302012;MM302012;CC(=O)NC1C(C)C1C;QRNBTVARWQFOIU-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302013;MM302013;COCOCC1(F)CC1C;NXHOVZAETGTUOO-UHFFFAOYSA-N;148.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302014;MM302014;CC(F)C(=O)CCCCF;GNBZGVZTPRILAT-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302015;MM302015;COCOCC1(F)CC1N;MFEQLYUDNBSTLK-UHFFFAOYSA-N;149.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302016;MM302016;C=C(CCCNC)C(C)C;DSDRQZUAZKBRPF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302017;MM302017;COCOCC1(F)CC1O;ABDVUJIJQRSLRV-UHFFFAOYSA-N;150.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302018;MM302018;C=C(CCCNC)C(C)F;FDWSYSKOMCILAZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302019;MM302019;CCCCNC1(C)CC1C;GJEAMWYUYMODRJ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302020;MM302020;C=C(CCCNC)C(F)F;PLLCGADUABCQJR-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302021;MM302021;CC1CC1(C)NCCCO;OIOOTXHPLJJGQI-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302022;MM302022;CNCCCC(=O)C(C)C;FMXHRIZLQORBSJ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302023;MM302023;CCCCNC1(C)CC1N;SFSFYCMQSDQJLD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302024;MM302024;COCCCC(=O)C(C)C;DKSVJNVVHZQCEX-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302025;MM302025;CC1(NCCCF)CC1N;GIBDVDKVPLOWLG-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302026;MM302026;COCCCC(=O)C(C)O;VAXOOKDHZNHWRE-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302027;MM302027;CC1(NCCCN)CC1O;GGAMRSDGUVTWTM-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302028;MM302028;C=C(CCNCC)C(C)C;JLQWPALEOKEKEZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302029;MM302029;CC1(NCCCO)CC1O;XFKZWOFPQVJYDF-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302030;MM302030;C=C(CCNCC)C(C)F;SWBVMOOTEXKJCE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302031;MM302031;CNCCNC1(C)CC1C;CXNVCLRIKXXVLV-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302032;MM302032;CCNCCC(=O)C(C)C;CRJZQXOFQYSPMV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302033;MM302033;CNCCNC1(C)CC1N;QONSTCGSQUIQHO-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302034;MM302034;CCNCCC(=O)C(C)F;JPMCZRHFQVNBKB-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302035;MM302035;CNCCNC1(C)CC1O;JKONUWYXQAOMHO-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302036;MM302036;C=C(CCOCC)C(C)C;IMRVRUNSFFCKQX-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302037;MM302037;COCCNC1(C)CC1C;UBADPOHGBDDUDU-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302038;MM302038;C=C(CCOCC)C(C)N;RCGDTYPGZJYYRO-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302039;MM302039;CCCCOC1(C)CC1C;VXRBDAOTUBRHDV-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302040;MM302040;C=C(CCOCC)C(C)O;CPZUAMWTXFGHJA-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302041;MM302041;CC1CC1(C)OCCCN;BXQDQXTWTRMQQB-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302042;MM302042;C=C(CCOCC)C(C)F;ASLGUXJXEIKMSF-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302043;MM302043;CC1CC1(C)OCCCO;JGPCYPMFVJSYOT-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302044;MM302044;CCOCCC(=O)C(C)C;PWNQVOYJQVYRKC-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302045;MM302045;CCCCOC1(C)CC1N;WLBCVUOFGPJDOG-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302046;MM302046;CCOCCC(=O)C(C)F;IJYNUYQMXQDXRB-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302047;MM302047;CC1(OCCCO)CC1N;OUBCXDJWGBUEHE-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302048;MM302048;C=C(CNCCC)C(C)C;UMLVUUYFTVDBND-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302049;MM302049;CCCCOC1(C)CC1O;APWUMEBFKSPJLY-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302050;MM302050;CC1(OCCCN)CC1O;YJXWEZFXMWYWDX-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302051;MM302051;C=C(CNCCF)C(C)N;QQKCEPIPENHWFO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302052;MM302052;CC1(OCCCN)CC1F;BLXYCKGFCFHXGO-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302053;MM302053;C=C(CNCCC)C(C)O;OKOZHPOBYBQZPG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302054;MM302054;CNCCOC1(C)CC1F;QAPQWISRPDXWMM-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302055;MM302055;C=C(CNCCN)C(C)O;LUHAYTBLCUNXAI-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302056;MM302056;COCCOC1(C)CC1C;BRZSNHCLWIIPNW-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302057;MM302057;C=C(CNCCO)C(C)O;CRINPPDKJUESAI-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302058;MM302058;COCCOC1(C)CC1N;ITJSPOJICBHVOH-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302059;MM302059;C=C(CNCCC)C(C)F;BNNIVFGKUCSGKZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302060;MM302060;CCOCOC1(C)CC1C;CBLRXKFRXLSVSE-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302061;MM302061;C=C(CNCCN)C(F)F;QKRCWWFLCAFPSY-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302062;MM302062;CCOCOC1(C)CC1N;HXLHFBUNTMEDRX-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302063;MM302063;CCCNCC(=O)C(C)C;BIJRUMYOHOITLF-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302064;MM302064;CNCCCC1(C)NC1C;RNPKOEFPGBZMER-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302065;MM302065;C=C(COCCN)C(C)C;DTCQJJVOAPZJRK-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302066;MM302066;CCNCCC1(C)NC1C;ACCQWVVGYKMUKX-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302067;MM302067;C=C(COCCO)C(C)C;GIWRIBAWTAWAAV-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302068;MM302068;CCCNCC1(C)NC1C;AWPAJASVBISKGV-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302069;MM302069;C=C(COCCC)C(C)N;NAHOZDIOEMUDQU-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302070;MM302070;CC1NC1(C)COCCN;PGNDZJBKYPUALP-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302071;MM302071;C=C(COCCO)C(C)N;BLADXJXNLTYTOH-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302072;MM302072;CCCCCC1(C)OC1C;RIFSDYADVQGTPT-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302073;MM302073;C=C(COCCF)C(C)N;WMQHTBQZHXOTNH-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302074;MM302074;CC1OC1(C)CCCCN;FCBCVLWMJNAFIG-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302075;MM302075;C=C(COCCC)C(C)O;YPCXSXBHQHPKHP-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302076;MM302076;C=C(COCCO)C(C)F;HIXMQNGTPLNCTH-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302077;MM302077;CON=C(C=O)OCC=O;ODKXUBBBCQFHKP-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302078;MM302078;CCCOCC(=O)C(C)C;YSHCLEMZNWPUQT-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302079;MM302079;CC1OC1(C)CCCCF;VEDSBMKDEBARLY-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302080;MM302080;CCCOCC(=O)C(C)O;KKEKMTKFUZTEFV-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302081;MM302081;COCCCC1(C)OC1C;WVGZFBZRVDBQFC-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302082;MM302082;O=C(COCCF)C(F)F;PVDIPMAFXVBVSA-UHFFFAOYSA-N;156.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302083;MM302083;CCOCCC1(C)OC1C;BHXOKSXXQSIOHI-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302084;MM302084;C=C(COCOC)C(C)N;LLCHHQHLHZYBGH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302085;MM302085;CCCNCC1(C)OC1C;LFCUDHJOYRLUNV-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302086;MM302086;COCOCC(=O)C(C)O;RZRIWJZZQMOQAA-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302087;MM302087;CC1OC1(C)CNCCN;FUHOQICUIARAHI-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302088;MM302088;CCCCNC(=N)C(C)C;QSSZIEXJLFSNID-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302089;MM302089;CCCOCC1(C)OC1C;NVDTVUXGAGDFMX-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302090;MM302090;CC(C)C(=N)NCCCO;PAYJPVJFOKZLCD-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302091;MM302091;CCCNCC1(C)CN1C;UQBJHVDKHHVHAV-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302092;MM302092;CC(N)C(=N)NCCCO;CGMSTXJJEILTBJ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302093;MM302093;CN1CC1(C)CNCCN;CHMCJOLUUDGAKF-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302094;MM302094;CCCCNC(=N)C(C)O;MDYSGTYZQOZQBU-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302095;MM302095;CCCOCC1(C)CN1C;ZIFSAKCGJGRVBE-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302096;MM302096;CC(O)C(=N)NCCCN;MWNMMQPJQSQDLI-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302097;MM302097;CN1CC1(C)COCCN;GRFVHJTXZREQKB-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302098;MM302098;CC(F)C(=N)NCCCN;IVWHVYLJYOYRGH-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302099;MM302099;COCOCC1(C)CN1C;JOPKXOCCRDWCNI-UHFFFAOYSA-N;145.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302100;MM302100;CN=C1NC(C)C(=O)O1;OSSZXEIBPWKFHS-UHFFFAOYSA-N;128.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302101;MM302101;CC1CC1(C)CCCC=O;AELJFSSCBSISHT-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302102;MM302102;CC(=O)CN(C)CC(N)=O;DDRNVTIBTPDPLW-UHFFFAOYSA-N;144.17;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302103;MM302103;CC1CC1(C)CCCC#N;YQHKLZLUTNSCQJ-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302104;MM302104;CC(O)C(=O)NCCCN;QYZUAFSSCYKUGM-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302105;MM302105;C=CCCCC1(C)CC1N;GKLVHZZPVQPMPZ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302106;MM302106;CC(O)C(=O)NCCCO;DLXOALFKYWVQBY-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302107;MM302107;C#Cc1c[nH]c(N=N)c1C;TVCRPTDXODIPFU-UHFFFAOYSA-N;133.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302108;MM302108;O=C(NCCCO)C(F)F;RQOCLUZRFFMWMH-UHFFFAOYSA-N;153.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302109;MM302109;C=CC(=O)NCCC;WDFKEEALECCKTJ-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302110;MM302110;CNCCNC(=N)C(C)N;HVGOJYDVWCJLRU-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302111;MM302111;C=CC(CC)NC=O;RNASAUCRIQHBHR-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302112;MM302112;CNCCNC(=N)C(C)O;ZPYTXVFDKDBQKQ-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302113;MM302113;C=CCCCC1(C)CC1F;IKDDMCGPFKWYSI-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302114;MM302114;CNCCNC(=N)C(C)F;QWNJMORIXWXBKT-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302115;MM302115;CC1(CCCC#N)CC1F;XPXOPVIWSBLAJS-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302116;MM302116;CNCCNC(=O)C(C)N;WXKIKUVHZYODNX-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302117;MM302117;C=CCCCC1(N)CC1C;JKZBSUIQMHUJJK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302118;MM302118;COCCNC(=N)C(C)N;NSLCQIDTQKKPBC-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302119;MM302119;C=CCCCC1(N)CC1N;VVUITEZMVNUDCS-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C1";;;;;;;0.94;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302120;MM302120;COCCNC(=N)C(C)O;CDNBPBMBTBQDNJ-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302121;MM302121;C=CCCCC1(N)CC1O;AGICQSVAQXQICZ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302122;MM302122;COCCNC(=O)C(C)O;LXMAHSKZRMYRDE-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302123;MM302123;CC1(C)CC(NC=O)C1;WYOCRRLMHXKCHJ-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302124;MM302124;COCCNC(=O)C(F)F;CYIJTVRTIPVOQT-UHFFFAOYSA-N;153.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302125;MM302125;CC(C=NN)=CC(N)=O;CIXTUFLJQCEFFF-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302126;MM302126;CCCNNC(=N)C(C)C;MNARHEPQFLDNHL-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302127;MM302127;C=CCCCC1(O)CC1N;RPLOLSHHYCUUEJ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C1";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302128;MM302128;CC(C)C(=N)NNCCO;AHGRRCCPGCFOND-UHFFFAOYSA-N;145.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302129;MM302129;C=CCCCC1(O)CC1O;LJGFMJAVFCQQET-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302130;MM302130;CC(C)C(=O)NNCCN;GMFCDKQDKYUWHY-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302131;MM302131;N#CCCCC1(O)CC1O;NYGWDTYBEWNCQE-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302132;MM302132;C#CC(C)C(C)(C)NC=O;DJNXNCJMYJQDKP-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302133;MM302133;N#CCCCC1(O)CC1F;CGDRNXMJOVEDEN-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302134;MM302134;CCCONC(=N)C(C)C;JKTNULAVUXRJQI-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302135;MM302135;C=CCCCC1(F)CC1C;PRKFPKDSRXSXMK-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302136;MM302136;CCCONC(=N)C(C)O;VJHKJHWAMLAOMQ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302137;MM302137;CC1CC1(C)CCNC=N;LGJJFZFLXHMVIK-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302138;MM302138;CC(O)C(=N)NOCCO;VLBPRDHTTIWXDN-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302139;MM302139;C=CCCNC(=O)CC;KMGXKWCKQSRCHP-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302140;MM302140;C=COC(C)C(=O)O;HXDYESCVLCOIOC-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302141;MM302141;CC1(CCNC=N)CC1N;IWFNYCMKUOBISA-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302142;MM302142;C=C(C)C#CC=CC(N)=O;GQQSTLQMNYHPDO-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302143;MM302143;CC1(CCNC=O)CC1N;GOYFDTKXPXRVFO-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302144;MM302144;C#CC1(CCC(=O)O)CO1;SCDAWPMHDKSVGN-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302145;MM302145;CC1(CCNC=N)CC1O;MGEDVEQNKOUIQS-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302146;MM302146;C=C(OCCCO)C(C)C;QNTRXFORSHAFSP-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302147;MM302147;CC1(CCNC=O)CC1O;JXIHXOBAFGGVSI-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302148;MM302148;C=C(OCCCF)C(C)N;FYJCRUDOAOWQNN-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302149;MM302149;CC1CC1(N)CCNC=N;DZBIDMADYHSMKJ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302150;MM302150;C=C(OCCCN)C(C)F;ULXAEPWMAGMUKF-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302151;MM302151;CC1CC1(N)CCNC=O;HUPPIFHHEFKUHW-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302152;MM302152;CC(C)C(=O)OCCCO;BYSIMEBHZXYDGO-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302153;MM302153;NC1CC1(N)CCNC=O;KSHSBBKFQJVCNP-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302154;MM302154;N=CNCCC1(N)CC1O;OWEGBXMLGDJALI-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302155;MM302155;CC(O)C(=O)OCCCF;MEYSDZDWNFCWKG-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302156;MM302156;NC1(CCNC=O)CC1O;JLVQZHSTOQKKON-UHFFFAOYSA-N;144.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302157;MM302157;C=C(OCCNC)C(C)C;JTKMXDCOAHUVED-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302158;MM302158;CC1CC1(O)CCNC=N;BJVSPBTZXDNOME-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302159;MM302159;C=C(OCCNC)C(C)F;MVFHKXJENOCLEC-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302160;MM302160;CC1CC1(O)CCNC=O;UFQXQXLENMCKCZ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302161;MM302161;CNCCOC(=O)C(C)O;SHILNPDUQNEPIS-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302162;MM302162;NC1CC1(O)CCNC=O;BQQVQYQJNCHJNR-UHFFFAOYSA-N;144.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302163;MM302163;CNCCOC(=O)C(C)F;HUBQZNNFRLWPCY-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302164;MM302164;N=CNCCC1(O)CC1O;QLECBSKTKPLSBD-UHFFFAOYSA-N;144.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302165;MM302165;COCCOC(=O)C(C)O;SYSKPGKUJADWSC-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302166;MM302166;O=CNCCC1(O)CC1O;YALNFUQXOWFRLE-UHFFFAOYSA-N;145.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302167;MM302167;COCCOC(=O)C(F)F;QGMIHYOTQJSUQH-UHFFFAOYSA-N;154.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302168;MM302168;CCC1CC(NC=O)C1;FVXGUXHKFDQDKF-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302169;MM302169;C=C(OCOCC)C(F)F;FJNXDHDODGHVBN-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302170;MM302170;C=NNCCC1(C)CC1C;JNRRSNTZVPWBFC-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302171;MM302171;CCOCOC(=O)C(C)C;YXIQMWBJWUTYAW-UHFFFAOYSA-N;146.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302172;MM302172;C=C1C(=O)OCC1=NN;LPMMNTVWGRUYCI-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302173;MM302173;CCCCCC(=N)N(C)C;NMHCZJXHIFFEPY-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302174;MM302174;C=NNCCC1(C)CC1F;MZZKKTQTJDOZMA-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302175;MM302175;CCCCCC(=O)N(C)C;OAERLTPBKQBWHJ-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302176;MM302176;C=NNCCC1(N)CC1C;NUVBGCHUQAGSQF-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302177;MM302177;C=CC(C)(F)CCNC=O;VBJQDYHMEAMIOJ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302178;MM302178;C=NNCCC1(N)CC1O;VZCIDHCHEFNQAJ-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302179;MM302179;CCCCCC(=O)N(C)O;SQYQLVLQENRRCF-UHFFFAOYSA-N;145.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302180;MM302180;CN1CC1CCNC=O;RVZKJEIBAWDYQI-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302181;MM302181;CN(O)C(=O)CCCCF;ZTYYWNUDMINWJB-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302182;MM302182;C=NNCCC1(O)CC1N;SXNVLTYPWAOSQQ-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302183;MM302183;CNCCCC(=N)N(C)C;WWGJEQPSMMACTO-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302184;MM302184;C=COCCC1(C)CC1C;WYGHJKKVKHHJSN-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302185;MM302185;CNCCCC(=O)N(C)C;XNLZQPRVWIQQSX-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302186;MM302186;CC1CC1(C)CCOC=O;WZWLJAGVNARZOE-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302187;MM302187;COCCCC(=N)N(C)N;NPHZACBDZBASGM-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302188;MM302188;C=COCCC1(C)CC1N;SPHIYLFRMODHLH-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302189;MM302189;COCCCC(=O)N(C)O;ZJXAPWLIEHYQHW-UHFFFAOYSA-N;147.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302190;MM302190;C=COCCC1(C)CC1O;ZWZVPQSYBDGUNF-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302191;MM302191;CCNCCC(=N)N(C)O;PSKOWLHFOXFBBG-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302192;MM302192;C=COCCC1(N)CC1C;HXAQMXSGSVFNCT-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302193;MM302193;CCOCCC(=N)N(C)C;PUESOFRJHUKBCH-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302194;MM302194;CC1CC1(N)CCOC=O;COOGNMPKHJFUJY-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302195;MM302195;CCOCCC(=O)N(C)C;PVKDNXFNSSLPRN-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302196;MM302196;C=COCCC1(N)CC1N;ZGTYLBRYAVWDCE-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302197;MM302197;CCOCCC(=O)N(C)N;GEOIIISPUYXNIW-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302198;MM302198;NC1CC1(N)CCOC=O;SOTTVPDNWKDTPP-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302199;MM302199;CCOCCC(=O)N(C)O;OSRQBWUVALJSFM-UHFFFAOYSA-N;147.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302200;MM302200;C=COCCC1(N)CC1O;BEKPHJWRXPQYJP-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302201;MM302201;CCCNCC(=N)N(C)N;OTCBURAFWQPXRS-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302202;MM302202;C=COCCC1(O)CC1C;OUSDDLAMXRZCKS-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302203;MM302203;CCCNCC(=N)N(C)O;HFRJWNLHSAXDBB-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302204;MM302204;C=COCCC1(O)CC1O;GRWIZBLABYLCKQ-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302205;MM302205;CCCOCC(=N)N(C)C;GMEIQZGCRLMCSP-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302206;MM302206;C=COCCC1(F)CC1C;BQNSIPKISRRCBZ-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302207;MM302207;CN(C)C(=N)COCCO;KYQOSZBAZOWECP-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302208;MM302208;C=NOCCC1(C)CC1C;AFLYUJQUGGANKN-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302209;MM302209;CN(C)C(=N)COCCF;KYNHJWUDVABOLE-UHFFFAOYSA-N;148.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302210;MM302210;C=NOCCC1(C)CC1N;FDFVTLCJXQFTQU-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302211;MM302211;CN(N)C(=N)COCCO;LXLHQBOUCMGALG-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302212;MM302212;CC1CC1C(C)NC=O;FYSCSPMYGILBMP-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302213;MM302213;CN(N)C(=N)COCCF;DDVQCZQSSSFHNI-UHFFFAOYSA-N;149.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302214;MM302214;C=NOCCC1(N)CC1C;HJAUCCYMKSGMHO-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302215;MM302215;CCCOCC(=O)N(C)C;PQXBEEVBRNDTOK-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302216;MM302216;C=NOCCC1(N)CC1O;FYOVUHZFSPVBIJ-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302217;MM302217;CN(C)C(=O)COCCN;OKUSDSUQBVHWJG-UHFFFAOYSA-N;146.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302218;MM302218;O=CC(CF)CN1CC1;USJXJVAQWMTWCT-UHFFFAOYSA-N;131.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302219;MM302219;CN(C)C(=O)COCCO;YOBRVXBSYUDFPB-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302220;MM302220;C=NOCCC1(O)CC1N;AUWUBWNVCUUZRH-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302221;MM302221;CN(C)C(=O)COCCF;BRPSNVVMQICXNI-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302222;MM302222;C=NN1C(C)C1CC=O;LMFPMSMLUYPBMU-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302223;MM302223;CC(=CF)C=C(C)C(N)=O;VLMXVPSFMLUWBM-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302224;MM302224;C=NOCCC1(F)CC1C;CPPGDNHZPYJVJC-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302225;MM302225;COCOCC(=N)N(C)C;LIMGHIKPVITKIY-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302226;MM302226;C=CCNCC1(C)CC1C;NQSKBAVDDBFLQA-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302227;MM302227;COCOCC(=N)N(C)N;QMMIDFPRYSGPBW-UHFFFAOYSA-N;147.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302228;MM302228;CC1CC1(C)CNCC=O;KTSMFJZAIKEBJG-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P5";;;;;;;0.22;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302229;MM302229;CCCCNC(=N)N(C)C;DTLMTLFPUNNLBY-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302230;MM302230;CC1CC1(C)CNCC#N;XYPCFMOUEFXUCZ-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302231;MM302231;CN(C)C(=N)NCCCN;RDPICDBJVBOAMH-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302232;MM302232;C=CCNCC1(C)CC1N;PNCHKSHXVABZCB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302233;MM302233;CN(C)C(=N)NCCCF;YEBMFTUMNASPDO-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302234;MM302234;CC(C)=CC(C)(C)NC=O;JBANGAFBFFWWKB-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302235;MM302235;CN(N)C(=N)NCCCO;ZDDZJTKHVLQSRE-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302236;MM302236;C=CCNCC1(C)CC1F;NRTNWYVEGBMTHZ-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302237;MM302237;CN(O)C(=N)NCCCO;FKKNVEOLMAEQDC-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302238;MM302238;CC1(CNCC#N)CC1F;KKZCCDYJVUJTSX-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302239;MM302239;CN(C)C(=O)NCCCO;JMYOLCDBCNCJPC-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302240;MM302240;C=CCNCC1(N)CC1C;VBOAWKBBFPAIIU-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302241;MM302241;CC(F)CCC(C)NC=O;JYGVCOPAOVFTJE-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302242;MM302242;C=CCNCC1(N)CC1F;RERMFGUJNWVQFO-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302243;MM302243;CN(O)C(=O)NCCCO;KFPDXYANYPSUSV-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302244;MM302244;CNCCNC(=N)N(C)C;STQQQBOOAAGYAH-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302245;MM302245;C=CCNCC1(O)CC1C;BKMHEBCTXYLVKU-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302246;MM302246;CNCCNC(=N)N(C)N;OPSACZWLTHESFQ-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302247;MM302247;C=CCNCC1(O)CC1N;FEIJJZCOCWPTPZ-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302248;MM302248;CNCCNC(=N)N(C)O;PPNFWKANOSPRQO-UHFFFAOYSA-N;146.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302249;MM302249;C=CCNCC1(O)CC1O;LYNYYCXPUSXREQ-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302250;MM302250;CNCCNC(=O)N(C)C;GAIFIMODEWLZIN-UHFFFAOYSA-N;145.21;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302251;MM302251;CC(F)CC(C)(C)C(N)=O;MJTUHEPLSLWCOS-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302252;MM302252;CNCCNC(=O)N(C)N;SAKHFUCBGYHINF-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302253;MM302253;C=CCNCC1(F)CC1C;JLYYLJQCBIIBIG-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302254;MM302254;CNCCNC(=O)N(C)O;QNUMLBZFGUIKOM-UHFFFAOYSA-N;147.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302255;MM302255;CC1CC1(F)CNCC#N;GALDQJANBGVNHR-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302256;MM302256;COCCNC(=N)N(C)C;BZPJEFDZLGZYKU-UHFFFAOYSA-N;145.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302257;MM302257;C=CCNCC1(F)CC1N;JMENOWOAOMEKSQ-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302258;MM302258;COCCNC(=N)N(C)N;IQGGEZBTNBVLDJ-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302259;MM302259;C=CC(C)(C)N(C)C(N)=O;IIWCJMGZLIVWIO-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C2";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302260;MM302260;COCCNC(=N)N(C)O;XHGBWHBUZXTWFM-UHFFFAOYSA-N;147.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302261;MM302261;CC1CC1(C)CNNC=N;XJWNZIDZIZSNOO-UHFFFAOYSA-N;141.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302262;MM302262;COCCNC(=O)N(C)C;UPMQRQTWLYQWNQ-UHFFFAOYSA-N;146.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302263;MM302263;CCC=CC(C)(C)NC=O;UMTSCCZXADLFEO-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302264;MM302264;CCNC(=O)C=C(N)NC;XOQSMDSYQDRFIK-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302265;MM302265;CC1(CNNC=N)CC1N;DORHQULVBGRAJI-UHFFFAOYSA-N;142.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302266;MM302266;COCCNC(=O)N(C)O;IUUXKYRSPZPBEE-UHFFFAOYSA-N;148.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302267;MM302267;CC1(CNNC=N)CC1O;MUXMEBULUCFESM-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302268;MM302268;CCCNNC(=N)N(C)C;XTMJBWASECPUET-UHFFFAOYSA-N;144.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302269;MM302269;CC1CC1(N)CNNC=O;XPPNFIFOFZRJKJ-UHFFFAOYSA-N;143.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302270;MM302270;CN(C)C(=N)NNCCN;HVHKHNJNEHHKNS-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302271;MM302271;NC1CC1(N)CNNC=O;SYYFSBDFZLZLCG-UHFFFAOYSA-N;144.18;-2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302272;MM302272;CN(N)C(=N)NNCCO;ZNEOLVHFTUOPDR-UHFFFAOYSA-N;147.18;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302273;MM302273;CC1CC1(F)CNNC=N;YOOXTXNRSQFJSB-UHFFFAOYSA-N;145.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302274;MM302274;CN(O)C(=N)NNCCN;GDPPQVFWFFZCQI-UHFFFAOYSA-N;147.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302275;MM302275;CC(CF)C(C)(C)C(N)=O;CGPWYTRNKUPLIT-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302276;MM302276;CN(O)C(=N)NNCCO;KOECQUMWSYTUKG-UHFFFAOYSA-N;148.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302277;MM302277;C=CCOCC1(C)CC1C;AJEJCMPFVFFHCU-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302278;MM302278;C=CC(=C)C(=O)NC(C)C;VGASLEXDFJVWPD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302279;MM302279;CC1CC1(C)COCC#N;KPQAVEZGAQBZHM-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302280;MM302280;C=C(CCNC=O)C(C)F;HQUFREJCWHJCOL-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302281;MM302281;CC1(COCC#N)CC1O;JEPHDOVXRPPUQL-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302282;MM302282;CN(O)C(=O)NNCCN;DDYQWFRQUUQXNX-UHFFFAOYSA-N;148.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302283;MM302283;C=CCOCC1(N)CC1N;CYRXVXUCNTWVIX-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302284;MM302284;CN(O)C(=O)NNCCO;ZUHFAMZFCKWTBH-UHFFFAOYSA-N;149.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302285;MM302285;C=CCOCC1(N)CC1O;NSUCMPNVXNTRDJ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302286;MM302286;CN(C)C(=N)NOCCN;FWSGTWWUTHIQSI-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302287;MM302287;CC1CC1(O)COCC=O;IYLMBWNEKXNCCC-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302288;MM302288;CN(C)C(=N)NOCCO;QBPIPKQRXOHZGO-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302289;MM302289;CC1CC1(O)COCC#N;YUCOJQOPZPLECT-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302290;MM302290;CN(N)C(=N)NOCCO;FPOATWDUXDLOHI-UHFFFAOYSA-N;148.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302291;MM302291;O=CCOCC1(O)CC1O;GIBJXZPQHLZIRF-UHFFFAOYSA-N;146.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302292;MM302292;CN(O)C(=N)NOCCO;NPSPVFHFGJODRX-UHFFFAOYSA-N;149.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302293;MM302293;CN(C)C(=O)NOCCF;AOFJGXQBWSFLDS-UHFFFAOYSA-N;150.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302294;MM302294;N#CCOCC1(O)CC1O;BIFMMSHFDPNUIX-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302295;MM302295;CN(N)C(=O)NOCCO;PTWQVWFXXKOEOX-UHFFFAOYSA-N;149.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302296;MM302296;C=CCOCC1(O)CC1F;NHYGSRATSNCOPJ-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302297;MM302297;CN(O)C(=O)NOCCN;OHLLJXJYGIJEJS-UHFFFAOYSA-N;149.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302298;MM302298;CC1CC1(F)COCC=O;FEHLQDBTLAVNLJ-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302299;MM302299;CN(O)C(=O)NOCCO;FAQQWYVKBNCMEE-UHFFFAOYSA-N;150.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302300;MM302300;CC1CC1(F)COCC#N;DYYDAAVPTATFMW-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302301;MM302301;CN(O)C(=O)NOCCF;SSYAYVOEIZSXTD-UHFFFAOYSA-N;152.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302302;MM302302;C=CCOCC1(F)CC1N;SLKCIAGVKXSJTC-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302303;MM302303;COCONC(=N)N(C)C;MOKCSXIHZLEPGH-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302304;MM302304;N#CCOCC1(F)CC1O;GKWPVYLLAINGNB-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302305;MM302305;CN(C)C(=N)OCCCN;DVAYYJFHQHIUAP-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302306;MM302306;CC1CC1(C)CONC=N;AGPGTLDJNLWSBS-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302307;MM302307;CN(C)C(=N)OCCCO;OFIBAWRJBBZSLL-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302308;MM302308;CC1CC1(C)CONC=O;WKPZZLIWQABCRQ-UHFFFAOYSA-N;143.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302309;MM302309;CNCCOC(=N)N(C)N;QPQBZOOCMWYWCK-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302310;MM302310;N=CNOCC1(N)CC1N;DRNNBXWSHUEGGF-UHFFFAOYSA-N;144.18;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302311;MM302311;CNCCOC(=N)N(C)O;YVAKLIJBJVCUKO-UHFFFAOYSA-N;147.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302312;MM302312;CC1CC1(O)CONC=N;GCSOZANCMPUIIW-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302313;MM302313;CNCCOC(=O)N(C)N;FEZNFNVFYKKHEO-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302314;MM302314;C=CCCNC1(C)CC1C;CPFYPXBAFNOWAN-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302315;MM302315;CCOCOC(=O)N(C)C;QBYSVXKFHMPMAE-UHFFFAOYSA-N;147.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302316;MM302316;CC1CC1(C)NCCC=O;UJTMAVAFTONKFZ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302317;MM302317;C=CCCCC(=C)C(C)C;NYMCWSXUKDFYKH-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302318;MM302318;C=CCCNC1(C)CC1O;CFSPQIIYHLBUMN-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302319;MM302319;C=C(CCCC=O)C(C)C;DUHYVHUTAREZKN-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302320;MM302320;C=CCCOC1(C)CC1C;NGICDQNXZGAOHD-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302321;MM302321;C=C(CCCC#N)C(C)C;KIYGUWOGKAKFBF-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302322;MM302322;CC1CC1(C)OCCC=O;XPRBDGROXZHFSX-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302323;MM302323;CC=NN(C)C(=O)C(C)F;AKYQAIYEOIQCCE-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302324;MM302324;C=CCCOC1(C)CC1N;XROWYYFQMGHCQX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302325;MM302325;C=C(CCCC=O)C(F)F;VQGUZNVMGBUJOK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302326;MM302326;CC1(OCCC#N)CC1O;SACQYBKJEPUISZ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302327;MM302327;C=CCCCC(=O)C(C)C;KLFROKDWFAMUPS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302328;MM302328;CC1(OCCC#N)CC1F;KJGVBXBTEGODAI-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302329;MM302329;C=CCCCC(=O)C(C)O;NPXPSCMVSKUQQR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302330;MM302330;C=COCOC1(C)CC1C;MJXNUONJMWJRGG-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302331;MM302331;C=C(CCNC=N)C(C)C;BZRSTSYUGOXGSC-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302332;MM302332;C=COCOC1(C)CC1N;ZRBRMQNRWYRPKY-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302333;MM302333;C=C(C(N)=O)C(C)C=CF;FVGNLWZURQJHGP-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302334;MM302334;C=CCCCC1(C)OC1C;ZHNRRANKZSOPEL-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302335;MM302335;C=C(CCNC=O)C(C)N;WAKOGGLDGDSUMN-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302336;MM302336;CC1OC1(C)CCCC#N;MLSZXGORNRLWEK-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302337;MM302337;C=C(CCNC=N)C(C)O;XCFNLTVGPPLYKE-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302338;MM302338;CC1OC1(C)CCOC=O;YKZUOJXCIWNHOJ-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302339;MM302339;C=C(CCNC=N)C(C)F;AXZOCWHBACDFGO-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302340;MM302340;C=CCNCC1(C)OC1C;DJVKSOSWGQHQHI-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302341;MM302341;N#CC(=O)CC1(CF)CN1;LSYQAGVBDOIHAP-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302342;MM302342;C=CCOCC1(C)OC1C;XPPBBKHYSOQVNL-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302343;MM302343;CC(F)C(=O)CCN=CN;XHZNQSLMQHCFFE-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302344;MM302344;CC1OC1(C)COCC#N;ZGLNDUJLVIUYME-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302345;MM302345;C=NNCCC(=C)C(C)C;XHTZPMKLBUYGJM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302346;MM302346;CC1OC1(C)CONC=N;JCVUYVSBUMAEJX-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302347;MM302347;C=C(CCOC=O)C(C)F;GNRKGTLLADHWFG-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302348;MM302348;CN1CC1(C)CCOC=O;ZXWNSIDJVLRMAW-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302349;MM302349;C=C(CCOC=O)C(F)F;IMEQARAWXZFDQT-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302350;MM302350;C=CCNCC1(C)CN1C;LQBQNJYSRGOVHT-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302351;MM302351;C=COCCC(=O)C(C)C;KZBIOCADDMEBDQ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302352;MM302352;CN1CC1(C)CNCC#N;VKLCWEHBRGABKY-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302353;MM302353;C=COCCC(=O)C(C)O;KKIRTLMTVSNVRK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302354;MM302354;CCC(C)(CCF)C(N)=O;VMEAYNQIICHPGG-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302355;MM302355;C=NOCCC(=C)C(C)N;RGFKNBTZIXYOHS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302356;MM302356;C=CCOCC1(C)CN1C;WKSRLUVDSCBSSL-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302357;MM302357;CONC(=NN)N(C)C=O;ANVMQOCSTUXGJF-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302358;MM302358;CNC(=O)CC1CC1(C)C;SATXAZYFDQEQRW-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302359;MM302359;C=CCNCC(=C)C(C)C;KUNXGVYZOJAJEM-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302360;MM302360;CN1CC1(C)COCC#N;ZMEIFHCRDADZHT-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302361;MM302361;C=CCNCC(=C)C(C)N;UTPBCIQXDTZHOO-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302362;MM302362;C#CCCCC1(C)CC1N;LUJFVULVEBAMHJ-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302363;MM302363;C=CCNCC(=C)C(C)O;VWEXYWHXYJEXLO-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302364;MM302364;C#CCCCC1(N)CC1C;LRGMNLFZJNXBBE-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302365;MM302365;CC=C(CC=CF)C(N)=O;KMPZXANIZFDFNH-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302366;MM302366;C#CCCCC1(N)CC1N;RLOXMOORBIRWFC-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302367;MM302367;C=CCNCC(=C)C(C)F;AXWRIPISRHJZNH-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302368;MM302368;C#CCCCC1(N)CC1O;OKPHMWWSKFETDQ-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302369;MM302369;N=CNN=C(C=O)C(F)F;IRTXXHMFCNEDQT-UHFFFAOYSA-N;149.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302370;MM302370;CCC(F)C(C)=CC(N)=O;UQIFLPYOLWPJHP-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302371;MM302371;C=CC(OC)C(C)NC=O;YTTIKLHXYXFQRG-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302372;MM302372;C#CCCCC1(O)CC1N;CVAZQRTVOOUFIB-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302373;MM302373;C=C(CNNC=N)C(C)C;DERZSUKUCWSRHQ-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302374;MM302374;C#CCNCC1(C)CC1C;FOQKWWUFINAFDU-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302375;MM302375;C=C(CNNC=N)C(C)N;GENGNXHRTBHDKA-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302376;MM302376;C=C(CNNC=O)C(C)N;SFDMCICVXQYRFE-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302377;MM302377;C#CCNCC1(C)CC1N;SCGKFRCYXQDQLM-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302378;MM302378;C#CCNCC1(C)CC1O;MVPBNTRNHREABV-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302379;MM302379;C#CC1(CCNC=O)CC1;VPBGUFICESEZKT-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302380;MM302380;C#CCNCC1(N)CC1C;IUCZLUVPRBZXLY-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302381;MM302381;C=C(CNNC=N)C(F)F;GCHFUSXXSACAQO-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302382;MM302382;C#CCNCC1(N)CC1O;PBRVVERULXPYHM-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302383;MM302383;C=C(COCC#N)C(C)C;OKRGIMPZAFGQDE-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302384;MM302384;C#CCNCC1(O)CC1C;SVNQPTVKJCMBPV-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302385;MM302385;C=CCOCC(=C)C(C)N;HWCQZYZHNWACHW-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302386;MM302386;C=CCOCC(=O)C(C)C;JTTXEINRTFLTCZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302387;MM302387;C#CCNCC1(O)CC1F;QXODYBVPWSHPML-UHFFFAOYSA-N;143.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302388;MM302388;C=CCOCC(=O)C(C)O;JHDGCKXQTXTBNV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302389;MM302389;C#CCOCC1(C)CC1C;JVTNHLNIMFSBTG-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302390;MM302390;N#CCOCC(=O)C(F)F;FKLYDCHEMOAFIA-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302391;MM302391;C#CCOCC1(C)CC1N;VNQLDJCBCCEEPC-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302392;MM302392;C=C(CONC=N)C(C)C;AVKMJUWJNVSUHP-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302393;MM302393;C#CCOCC1(C)CC1O;VHXFDMLYLQNCGV-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302394;MM302394;C=C(CONC=N)C(C)O;FUDRRFNAGNJIHR-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302395;MM302395;C#CCOCC1(N)CC1C;MSVNJCWYHPBIFC-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302396;MM302396;C=C(CONC=N)C(F)F;XKJMIAUGRQWYGZ-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302397;MM302397;C#CCOCC1(N)CC1N;CHYNHNRVYGAMKU-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302398;MM302398;CC(C)C(=O)CONC=O;VTODRUFTVNFRMP-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302399;MM302399;C#CCOCC1(O)CC1C;KBBLIJGGYFAKGU-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302400;MM302400;O=CNOCC(=O)C(F)F;CBWDDRILIDNPQH-UHFFFAOYSA-N;153.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302401;MM302401;C#CCOCC1(O)CC1O;AEBZCGBGZDAHSP-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302402;MM302402;CC(C)C(=N)NCCC=O;WGGHAYLLQZLMKL-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302403;MM302403;C#CCOCC1(O)CC1F;ABDOZZSOPXITMR-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302404;MM302404;CC(O)C(=O)NCCC#N;FMGJRIOZYUHWFF-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302405;MM302405;C#CCOCC1(F)CC1C;ALBKDFIRZYNHDA-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302406;MM302406;CC(F)C(=O)NCCC=O;JEWZTVHPJGSHOQ-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302407;MM302407;C#CCCNC1(C)CC1C;PBALRXHDNWZNCE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302408;MM302408;CC(O)C(=N)NNCC#N;IMRKNHQEVJHXQO-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302409;MM302409;C#CCCNC1(C)CC1O;UXQFMLYDOSDJER-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302410;MM302410;CC(O)C(=O)NNCC#N;NUEHNULAUUIGGH-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302411;MM302411;C#CCCOC1(C)CC1C;VFQHZZZVBRMJTN-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302412;MM302412;CC(O)C(=N)NOCC#N;UPKWMOTVKPYWOM-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302413;MM302413;C#CCCOC1(C)CC1N;URLLCYAIUBLXSU-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302414;MM302414;C#Cc1noc(NC=N)n1;SFISNRYNPZOEDF-UHFFFAOYSA-N;136.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302415;MM302415;C#CCCOC1(C)CC1O;XDMZVPNOWJPZKN-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302416;MM302416;CC1(OCC(=O)O)CC1;XLPURGUKLJNGSD-UHFFFAOYSA-N;130.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302417;MM302417;C#CCNCC1(C)NC1C;UTMCMZGGPKNMMU-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302418;MM302418;CC(C)(F)CC(O)C(=O)O;JORDESRLABVSIN-UHFFFAOYSA-N;150.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302419;MM302419;C#CCCCC1(C)OC1C;NSQKVUCOKSNOFL-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302420;MM302420;C=C(OCCC=O)C(C)C;CJJWOFGGIQJMRO-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302421;MM302421;C#CCOCC1(C)OC1C;ZQCKUZBSUJLXHX-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302422;MM302422;C=C(OCCC#N)C(F)F;SJACEELGQKTUDZ-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302423;MM302423;C#CCNCC1(C)CN1C;XMXCYJUYTRMSEW-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302424;MM302424;CC(C)C(=O)OCCC=O;SGIHDMYHQIPYPR-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302425;MM302425;CC=CCCC1(C)CC1C;UCELAEBPPZDUFB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302426;MM302426;C=COCOC(=C)C(C)O;KQXBUZRCUAFAJB-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302427;MM302427;CC=CCCC1(C)CC1N;ANBCGOQIWFCQSB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302428;MM302428;C=COCOC(=C)C(F)F;HQCUQPCMERBMRA-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302429;MM302429;CC1(CCC=CF)CC1N;YLIUCZHUZZCFFL-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302430;MM302430;CC(O)C(=O)OCOC=O;CXRBQYGSSXIHGA-UHFFFAOYSA-N;148.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302431;MM302431;CC(C)C(=CC(N)=O)CF;IEWQQZBEAMJUFX-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302432;MM302432;O=COCOC(=O)C(F)F;NRBHJVPUCASGSX-UHFFFAOYSA-N;154.07;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302433;MM302433;CCC(=CC(N)=O)C(C)F;XGECNNRWPMPMNB-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302434;MM302434;C=NOCOC(=C)C(C)N;TVNDPBLADOVLHV-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302435;MM302435;C=NOCOC(=O)C(C)C;GPQJPQUYQNGULW-UHFFFAOYSA-N;145.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302436;MM302436;CC=CCCC1(C)CC1F;BFVMNIYOEMFMNY-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302437;MM302437;C=CCCCC(=O)N(C)C;NWYUDVFSVIOLAW-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302438;MM302438;CC=CCCC1(N)CC1C;QOTAOKFKINZZLL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302439;MM302439;CN(C)C(=O)CCCC#N;AUPMIDNFEDWWRM-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302440;MM302440;CC1CC1(N)CCC=CF;GCEGJQWTUNGSHB-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302441;MM302441;C=CCCCC(=O)N(C)N;RTKDAUGHMKPUSK-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302442;MM302442;CC=CCCC1(N)CC1N;TUIZHTOZPSZBHL-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302443;MM302443;C=CCCCC(=O)N(C)O;UXKBGLGRLDGLJK-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302444;MM302444;NC1CC1(N)CCC=CF;ICLAINCUDSXYSV-UHFFFAOYSA-N;144.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302445;MM302445;CN(N)C(=N)CCNC=O;DFEJNAQLLLYSRZ-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302446;MM302446;CC=CCCC1(N)CC1O;OYSLKMLVCZOMQV-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302447;MM302447;CN(O)C(=N)CCNC=O;VHIWZJSYTIYLBX-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302448;MM302448;NC1(CCC=CF)CC1O;BKKOCCHILRQVBS-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302449;MM302449;C=COCCC(=N)N(C)N;QVGSANDAABGNPC-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302450;MM302450;CC=CCCC1(N)CC1F;ZCRRDQYFJANZBS-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302451;MM302451;CN(O)C(=N)CCOC=O;FCDVNKPHVXTIFD-UHFFFAOYSA-N;146.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302452;MM302452;C=C(C)C(=CC(N)=O)OC;AWRXXDCHUWIBHP-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302453;MM302453;C=COCCC(=O)N(C)O;UEYXMBVLQRLKSM-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302454;MM302454;C#CCC(C)CCNC=O;FCMXLDUGZHIRKN-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302455;MM302455;C=NOCCC(=N)N(C)O;ALDYRAZUBWDJNN-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302456;MM302456;CC=CCCC1(O)CC1N;RONSZHNAJVBKLK-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302457;MM302457;C=CCNCC(=N)N(C)C;AHXGLBKTBAGADJ-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302458;MM302458;NC1CC1(O)CCC=CF;YHWZJAPMJRPBQK-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302459;MM302459;CN(O)C(=O)CNCC#N;SFJBECDTZNVALB-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302460;MM302460;OC1CC1(O)CCC=CF;WSPYTJOGMNUNIO-UHFFFAOYSA-N;146.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302461;MM302461;C#Cc1[nH]c(N=N)cc1N;RADKXVYTEKTEKY-UHFFFAOYSA-N;134.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302462;MM302462;CC=CCCC1(F)CC1C;KPLQSYKJYNTBNX-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302463;MM302463;CN(O)C(=O)CNNC=O;GGOGUZVEUJSWFD-UHFFFAOYSA-N;147.13;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302464;MM302464;CC1CC1(F)CCC=CF;MGUAYLGTZYNSRK-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302465;MM302465;C=CCOCC(=N)N(C)C;DTWJADQGZLPSLC-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302466;MM302466;CC=CCCC1(F)CC1N;YAIWCCXZYYEZKK-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302467;MM302467;CN(C)C(=N)COCC=O;HXJUQTAUWOXNAZ-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302468;MM302468;NC1CC1(F)CCC=CF;LGVTUOKMLNOYEP-UHFFFAOYSA-N;147.17;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302469;MM302469;C=CCOCC(=N)N(C)N;GZQRQBMZENUCTR-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302470;MM302470;CC1CC1(C)CCC=NO;NCAPWZOERNXGRU-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302471;MM302471;CN(C)C(=O)COCC=O;SHWJSZFMXKWMBM-UHFFFAOYSA-N;145.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302472;MM302472;CC1(CCC=NO)CC1N;DWFRBDINQZJVDF-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302473;MM302473;CN(C)C(=N)CONC=N;JXXLXPXZYMKYJQ-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302474;MM302474;C=CCC=CC(=O)NCC;OBGFTMGPYSZPRZ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302475;MM302475;CN(C)C(=N)CONC=O;PRZHLILLUAPUDT-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302476;MM302476;CC1(CCC=NO)CC1O;PALZQBWQIIONBH-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302477;MM302477;CN(N)C(=N)CONC=O;NIWVUALBSSWHAI-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302478;MM302478;CC1(CCC=NN)CC1F;SEOSDPNVPGNDOI-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302479;MM302479;CN(C)C(=O)CONC=O;RQYWFRNPESKDCO-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302480;MM302480;NC1CC1(N)CCC=NO;CRRRCIVPWORMBG-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302481;MM302481;CN(N)C(=O)CONC=O;IFVXZYXWIXGSCV-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302482;MM302482;NC1(CCC=NO)CC1O;RNQOBLGVOJSAOO-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302483;MM302483;C=CCCNC(=N)N(C)C;DVLGAUGPQKYSBX-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302484;MM302484;CC1CC1(O)CCC=NO;UWQFZZMGIPSNIV-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302485;MM302485;CN(C)C(=O)NCCC=O;GSGOAWMULOYLQD-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302486;MM302486;NC1CC1(O)CCC=NO;RHHZSYCRHZPXAQ-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302487;MM302487;CN(O)C(=O)NCCC=O;PDQIQMBHBLJJMP-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302488;MM302488;ON=CCCC1(O)CC1O;DVVYEPNEUFVHIH-UHFFFAOYSA-N;145.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302489;MM302489;CN(C)C(=N)NNCC#N;UWYWZHUBNNOZLG-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302490;MM302490;CC1CC1(F)CCC=NO;ZJUGOSKGXDIXQL-UHFFFAOYSA-N;145.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302491;MM302491;CN(O)C(=N)NNCC=O;OWPFMDQHGBGZDG-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302492;MM302492;CN=CNCC1(C)CC1C;KDXMXYUEUALLNW-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302493;MM302493;CN(C)C(=O)NNCC#N;GTPYCNSCUUICRL-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302494;MM302494;CC1CC1(C)CN=CNN;WIFOXFVQMJWUDE-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302495;MM302495;CN(O)C(=O)NNCC=O;NSMTTYJLGLGAJX-UHFFFAOYSA-N;147.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302496;MM302496;CN=CNCC1(C)CC1N;CLOVPQFIDLMODL-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302497;MM302497;CN(C)C(=N)NOCC=O;LSQQCLYJKHGCSN-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302498;MM302498;CN=CNCC1(C)CC1O;DONOQTXCUFWETA-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302499;MM302499;CC1(CN=CNN)CC1O;RXGNIPADQTVXHJ-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302500;MM302500;CN(O)C(=N)NOCC=O;UQAKOZBRGMKJKR-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302501;MM302501;CN=CNCC1(N)CC1C;ROZQXGJWXFGAQY-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302502;MM302502;CN(O)C(=O)NOCC=O;GHNDANCZYYMQSF-UHFFFAOYSA-N;148.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302503;MM302503;CN=CNCC1(O)CC1C;USFPHHQINMLRKD-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302504;MM302504;CN(C)C(=N)OCOC=O;LIZALOMWAAYFMR-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302505;MM302505;CC1CC1(O)CN=CNN;XFGSQLNVDDFTLB-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302506;MM302506;C=COCOC(=O)N(C)C;WBGZWRJRGKKRTQ-UHFFFAOYSA-N;145.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302507;MM302507;CN=CNCC1(O)CC1N;VCIFXKUMMSEHMH-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302508;MM302508;CN(N)C(=O)OCOC=O;WJOFHJVNGWYFSE-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302509;MM302509;CC1CC1(F)CN=CNN;RGLYMCCOBLJJLD-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302510;MM302510;C#CCCCC(=C)C(C)C;QOUFNCYQMSYIEQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302511;MM302511;CC=NNCC1(C)CC1C;LTNOITLLBHFLHG-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302512;MM302512;C#CCCCC(=C)C(C)N;WUXRJYHWDFERSP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302513;MM302513;CC=NNCC1(C)CC1N;SFAJIWMGOWZNCW-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302514;MM302514;C#CCCCC(=O)C(C)C;SPNYUMGUDDWUNT-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302515;MM302515;CC(=NC=O)N(C)CC=O;NZTBOJLBTAZFQY-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302516;MM302516;C#CCCCC(=O)C(C)O;CKKBVZVVUCPMLO-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302517;MM302517;CC=NNCC1(C)CC1F;ZDRWHBCPTVYURN-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302518;MM302518;C#CCCCC(=O)C(C)F;INPGSVRBSCDPEJ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302519;MM302519;CC=NNCC1(N)CC1C;IJNKXNINPOGACE-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302520;MM302520;C#CCNCC(=C)C(C)C;VVIGSUMHIKRODR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302521;MM302521;CC=NNCC1(N)CC1N;PGQKOHYGWNZVGC-UHFFFAOYSA-N;142.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302522;MM302522;C#CCNCC(=C)C(C)N;DEYBMHHORLSFGK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302523;MM302523;CC=NNCC1(O)CC1N;WDKHAQJQRCHKKA-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302524;MM302524;C#CCOCC(=C)C(C)C;BPLOXIISMGUUNN-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302525;MM302525;CC=NNCC1(F)CC1C;MJMMHRIDCYXWOC-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302526;MM302526;C#CCOCC(=O)C(C)C;RGLXQUARDKSTAM-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302527;MM302527;CC=COCC1(C)CC1C;CMGUCFYNVUEGEM-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302528;MM302528;C#CCCNC(=N)C(C)N;PEQYGSAPKMWFLB-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302529;MM302529;CC=COCC1(C)CC1O;YCGDZGYLTMVUAX-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302530;MM302530;C#CCCNC(=N)C(C)O;GFTBMWXVTNXBEI-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302531;MM302531;CC=COCC1(N)CC1C;ZWVDGYIOQNINNA-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302532;MM302532;C#CCCNC(=N)C(F)F;LCYPHGZCWOQUMC-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302533;MM302533;CC=COCC1(N)CC1N;OYFYQHILCYJOBU-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302534;MM302534;C#CCCNC(=O)C(C)O;PFOMHGMLONPWKN-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302535;MM302535;CC=COCC1(O)CC1C;DOBCMQPGMDNJLF-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302536;MM302536;C#CCNNC(=N)C(C)C;FCOYWSSOURBDIV-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302537;MM302537;CC1CC1(O)COC=CF;ULORFRISTBCGEC-UHFFFAOYSA-N;146.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302538;MM302538;C#CCONC(=N)C(C)C;HFSRVDDZJRMVFR-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302539;MM302539;CC=COCC1(F)CC1C;JBQPCZNLEGXZBA-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302540;MM302540;C#CCONC(=N)C(C)N;ZFDZBZWIOXHZSD-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302541;MM302541;CC=COCC1(F)CC1N;QTNFJVXNAUQXCK-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302542;MM302542;C#CCCOC(=C)C(C)C;FOZYNTMENNYJEK-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302543;MM302543;CC1CC1(N)COC=NO;HVBQSEWOKKGUPD-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302544;MM302544;C#CCCCC(=N)N(C)O;MDTDIXOZZRTIHD-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302545;MM302545;NC1CC1(O)COC=NO;DIFSZPZOHBOFHN-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302546;MM302546;C#CCOCC(=O)N(C)C;JPJVLMHQOZTNAM-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302547;MM302547;C=NNC(=NC=O)ON=C;BEUBXQRYOZKMAL-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302548;MM302548;C#CCCNC(=N)N(C)C;NKMVDNJZRBTAJO-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302549;MM302549;CC=NOCC1(N)CC1C;AJRKKFKPFASCKR-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302550;MM302550;C#CCCNC(=N)N(C)N;LGEUCCIRIUADLZ-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302551;MM302551;CC=NOCC1(N)CC1N;CXUSJDQHFOHXNF-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302552;MM302552;C#CCCNC(=N)N(C)O;HJIDRKSJTHAJCE-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302553;MM302553;CC(O)C1CC(C(N)=O)C1;NMNFFFXCDCMXNC-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302554;MM302554;C#CCCNC(=O)N(C)C;CNYQJWNFQSJMKF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302555;MM302555;CC=NOCC1(F)CC1C;RBXLCNRAXGHLAW-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302556;MM302556;O=CCC=CCCNC=O;PDAULLONOVHUFF-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302557;MM302557;C=CC(C=O)CCC(N)=O;OCGGDIHTBMKKFO-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302558;MM302558;C#CCCNC(=O)N(C)O;GQLNQVPAMOYXNK-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302559;MM302559;CC=CCNC1(C)CC1C;GWDHQEBKADZVMB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302560;MM302560;C#CCNNC(=N)N(C)N;RXILMXUJUXYSJH-UHFFFAOYSA-N;141.18;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302561;MM302561;CC1CC1(C)NCC=CF;ALLLCXHBRLDXMZ-UHFFFAOYSA-N;143.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302562;MM302562;CC1NC(=N)OC1=O;FMRFORPLRTUEAX-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302563;MM302563;CC=CCNC1(C)CC1N;MAIHNWJHSGSHDT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302564;MM302564;C#CCNNC(=O)N(C)O;QARAKEACOWIKNE-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302565;MM302565;CC1CC1(C)NCC=NO;ZSASCFOIGWVNHZ-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302566;MM302566;C#CCONC(=N)N(C)C;ZJCQQRCQUNTHLP-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302567;MM302567;CN=CNNC1(C)CC1C;NXFCUYUXQLRHAK-UHFFFAOYSA-N;141.22;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302568;MM302568;C#CCONC(=N)N(C)N;QGGNZDJENFNJLS-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302569;MM302569;CCC1(CC)NC1C(N)=O;WKJYUDHYUOFVRU-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302570;MM302570;C#CCONC(=O)N(C)N;CWSLHZPQYGZIHN-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302571;MM302571;CC=CCOC1(C)CC1C;FFHSMPLMXLWJGX-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302572;MM302572;C#CCONC(=O)N(C)O;MNFKQQZPFGGQLH-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302573;MM302573;CC=CCOC1(C)CC1N;KJBCLDAOEHXHAH-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302574;MM302574;C#CCCOC(=N)N(C)C;PYKPWLCBWLNYOA-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302575;MM302575;CC=CCOC1(C)CC1O;KTSMHQDJEBIESF-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302576;MM302576;C#CCCOC(=O)N(C)N;KXOYLKREQMDERL-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302577;MM302577;CC=CCOC1(C)CC1F;QESGSXWHEYJFDZ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302578;MM302578;C=C(C)C(=C)CCCCC;JVXAFNKQDXAHLK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302579;MM302579;CC1CC1(C)OCC=NN;ZIJRGWDHZGUNTK-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302580;MM302580;C=C(C)C(=C)CCCCF;BIYVKRLBUZVLRH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302581;MM302581;CN=CNOC1(C)CC1C;DRFXQXFDSMJGIS-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302582;MM302582;C#Cc1n[nH]cc1C;GCQAVSDYNMKHBL-UHFFFAOYSA-N;106.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302583;MM302583;CC1CC1(C)ON=CNN;PLOSIQHQIGDSFW-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302584;MM302584;C=C(CCCCF)C(C)=O;HOSYVZCEBVVZBG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302585;MM302585;C#CC1(CCC(N)=O)CC1;RNXUKSVLYFKHMP-UHFFFAOYSA-N;137.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302586;MM302586;C=C(CCCCC)C(=N)N;XSVILDJJRNSMFC-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302587;MM302587;CN=CNOC1(C)CC1N;KSHCGWMRGCWKBI-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302588;MM302588;C=C(CCCCN)C(=N)N;MMNXVAISXQPZRP-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302589;MM302589;C#Cc1n[nH]n(C)c1=O;MZMIEGNYZJSIMX-UHFFFAOYSA-N;123.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302590;MM302590;CC1N(C)C1(C)CNC=O;CWKFNIULHVKQAE-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302591;MM302591;NC(=O)CCN(N)C=O;GIJCDAGVAQCCPM-UHFFFAOYSA-N;131.14;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302592;MM302592;CN=CNCC1(C)NC1C;GIMOSBWADXEILB-UHFFFAOYSA-N;141.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302593;MM302593;C=C(F)C(=C)CCCCF;IVGOVMHTGJTRAU-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302594;MM302594;CC=CCCC1(C)OC1C;ASWBEZSRDOTASK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302595;MM302595;CC=NNCC1(C)OC1C;ZFTATGHDHOPYTM-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302596;MM302596;C=C(C)C(=O)CCCCC;BQJMIUVBCXHAHY-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302597;MM302597;CC=COCC1(C)OC1C;LUBKMUJKWRQKNU-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302598;MM302598;C=CCNC(=O)C(=C)C;GROXSGRIVDMIEN-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302599;MM302599;CC1OC1(C)COC=CF;VVIJZJDQVABOKR-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302600;MM302600;CCCCCC(=O)C(C)=O;XCBBNTFYSLADTO-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302601;MM302601;CN=CNCC1(C)CN1C;LFZNSLYPGGHVAR-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302602;MM302602;CCCCCC(=O)C(=N)N;QWPURJRCLIANRI-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302603;MM302603;CN1CC1(C)CN=CNN;MQNDEUWNLVJNFE-UHFFFAOYSA-N;142.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302604;MM302604;CCCCCC(=O)C(N)=O;DYBXXMMNEWVFHF-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302605;MM302605;CC=NNCC1(C)CN1C;UCYZVFZYFZAKPM-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302606;MM302606;O=CCC(O)CC(=O)O;ZHBPKXTYCQYISG-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302607;MM302607;CC=COCC1(C)CN1C;YGJOXERSSHEDEE-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302608;MM302608;C#CC(O)C(C=O)=NO;LBMMZCVBMYLDRM-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302609;MM302609;C=C(F)C(=O)CCCCC;XLPWXUCUALLOHS-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302610;MM302610;C=NN(C)C=NOCC=O;YSEGUNLYVIBLNS-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302611;MM302611;C=C(C)C(=C)CCCNC;UTDNULMBQCSGSJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302612;MM302612;CC#CCCC1(C)CC1C;CSCHZPRTVISXFB-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302613;MM302613;C=C(CCCNC)C(C)=O;NZIXKRVRYSIPFR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302614;MM302614;CC#CCCC1(C)CC1N;NPRCJRZBQMVHMA-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302615;MM302615;C=C(F)C(=C)CCCNC;DRVNXGNVSNPWFU-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302616;MM302616;C=NOC(=NCC=O)NC;IZYHQQUBBANVKI-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302617;MM302617;C=C(F)C(=O)CCCNC;HNCOXFCMKBVXGX-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302618;MM302618;CC#CCCC1(C)CC1F;UEZPYSWLVHRTPE-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302619;MM302619;C=C(F)C(=C)CCCOC;UVRGQKGRUCNJTD-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302620;MM302620;CC#CCCC1(N)CC1C;SKXGUPGHANVCRE-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302621;MM302621;C=C(C)C(=O)CCCOC;KNVSMBZNQCXAFO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302622;MM302622;CC#CCCC1(N)CC1N;XIFOMOQEGXTANR-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302623;MM302623;C=C(C)C(=C)CCNCC;PSTCHZQFELWITE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302624;MM302624;CC#CCCC1(N)CC1O;HHJZAYAYWXTDLF-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302625;MM302625;C=C(CCNCC)C(C)=O;RNEOCPMZEFGSQQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302626;MM302626;Cc1c(N)c(N)c(N)n1O;YWAIQTZSDBNXLM-UHFFFAOYSA-N;142.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302627;MM302627;C=C(CCNCC)C(=N)N;RUAYMORGDONJLZ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302628;MM302628;CC#CCCC1(O)CC1N;BDSNMVTVMJBAKY-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302629;MM302629;C=C(CCNCC)C(N)=O;IVVQAINIMKJAQL-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302630;MM302630;CC#CCCC1(O)CC1O;BRKHLCWATHUCGC-UHFFFAOYSA-N;140.18;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302631;MM302631;C=C(F)C(=C)CCNCC;OTWZFCHFDUVWAY-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302632;MM302632;CC#CCCC1(F)CC1C;RNIPOWOQXPBUAT-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302633;MM302633;CCNCCC(=O)C(C)=O;DEEATWJOBVXRKN-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302634;MM302634;CC#CCCC1(F)CC1N;QKVZHHMYHNPBQU-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302635;MM302635;C=C(F)C(=O)CCNCC;MYRZIHSUHCRUBW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302636;MM302636;CC#CCCC1(F)CC1O;MHARXFHYPSKGNB-UHFFFAOYSA-N;142.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302637;MM302637;C=C(C)C(=C)CCOCC;IOTGADMWYQONDD-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302638;MM302638;CC#CCNC1(C)CC1C;ORVBPICUYYJKOG-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302639;MM302639;C=C(CCOCC)C(C)=O;PZNJIQONEHVTNB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302640;MM302640;CC#CCNC1(C)CC1N;QQXLOHYLDYHKPV-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302641;MM302641;C=C(C)C(=O)CCOCC;MEGKBQGEMSWWQP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302642;MM302642;CC#CCOC1(C)CC1C;JCWLKRIHRBMMIQ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302643;MM302643;C=C(CNCCC)C(C)=O;PMKUHISHLSQPBL-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302644;MM302644;CC#CCOC1(C)CC1N;WBCUWXMVGIDGFK-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302645;MM302645;C=C(CNCCO)C(C)=O;BTVBPDWYPYCSRH-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302646;MM302646;CC#CCOC1(C)CC1F;XKOFAKRTJYVYFF-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302647;MM302647;C=C(CNCCC)C(=N)N;IOWPPUYPAPFERV-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302648;MM302648;CC#CCCC1(C)OC1C;JPJKWHSIUZPOFQ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302649;MM302649;C=C(CNCCF)C(=N)N;DHEQXYCZDCFAJX-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302650;MM302650;CC(N)C1(C)C(C)C1CN;NSPQDUOSONTOLR-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302651;MM302651;C=C(F)C(=C)CNCCN;CJVWCBZNCYULGL-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302652;MM302652;CC(C)C1(C)C(N)C1CN;UGWIMMDXQUGNLB-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302653;MM302653;C=C(C)C(=O)CNCCC;UNXCOHQUBTXQAT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302654;MM302654;CC(C)C1(C)C(C)C1C#N;JIJLKQUSACEPRB-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302655;MM302655;C=C(C)C(=C)COCCC;XCZVTBAOTYIYKM-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302656;MM302656;C=C(C)C(=C)COCCN;MLJBSVKQTOFKFN-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302657;MM302657;C#CC1C(C)C1(C)C(C)C;KQDGLEDISACATQ-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302658;MM302658;C=C(C)C(=C)COCCO;ITYSUERZLJSQBM-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302659;MM302659;C=C(C)C1(C)C(C#N)N1C;NWACPHKWPHVEEW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302660;MM302660;C=C(COCCC)C(C)=O;AUHRWZITXYOULL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302661;MM302661;C#CC1N(C)C1(C)C(=C)C;WYYJIWATZDLUNP-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302662;MM302662;C=C(COCCC)C(=N)N;OHNVVVAEICRMOR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302663;MM302663;CCCC1CC1(C)C(C)C;QEGGSDCMNCLIGO-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302664;MM302664;C=C(COCCO)C(=N)N;SANGGUKFOJTDJK-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302665;MM302665;CC(C)C1(C)CC1CCN;QAMCDZINMGFUEC-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302666;MM302666;C=C(COCCF)C(=N)N;DMTHBYVWPSINFQ-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302667;MM302667;CNC(=O)CC1C(C)C1C;VGFZLECZFYNDLQ-UHFFFAOYSA-N;141.21;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302668;MM302668;C#CC1=NCC(=N)N1C;HYFISHYVDCMMRU-UHFFFAOYSA-N;121.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302669;MM302669;CC(N)C1(C)CC1CCF;IBNXFQYPMLOEIM-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302670;MM302670;C=C(COCCN)C(N)=O;PEJOINWLWGGRJN-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302671;MM302671;CC(C)C1(N)CC1CCN;PJFZPWVEAGDFPW-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302672;MM302672;C=C(COCCO)C(N)=O;NNYVPQRTMOYURX-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302673;MM302673;CNCC1CC1(C)C(C)C;NXOZEHASTRRMQU-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302674;MM302674;C#CC(C=C)CNC=O;SHVODONLJJSXQG-UHFFFAOYSA-N;123.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302675;MM302675;CNCC1CC1(C)C(C)N;CYQDYYZINFYFON-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302676;MM302676;C=C(F)C(=C)COCCN;KYPLZVGLFRWRSF-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302677;MM302677;CNCC1CC1(O)C(C)C;SQMWDOBTVRIJDF-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302678;MM302678;C=C(C)C(=O)COCCC;ZCCDOGPOYKYZBV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302679;MM302679;CNCC1CC1(O)C(C)N;NLRVSSIYLPQDDF-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302680;MM302680;CC(=O)C(=O)COCCO;CLYJUTISLXSEBC-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302681;MM302681;CNCC1CC1(F)C(C)C;OODWXACKJYKZNJ-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302682;MM302682;CCCOCC(=O)C(=N)N;VVIFSDJXRUIDSE-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302683;MM302683;CCCC1CC1(C)N(C)C;IAIBLVMCWKWXQX-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_Nd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302684;MM302684;N#CC1=NNC(C=O)C1;JILUVEHTEYASSK-UHFFFAOYSA-N;123.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302685;MM302685;CN(C)C1(C)CC1CCN;AYKQBOKRQOJYOR-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302686;MM302686;N=C(N)C(=O)COCCF;PYWZTMMLEFGXDR-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302687;MM302687;CC(C)C1(C)CC1CC#N;LQMYXQGQWUMVBZ-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302688;MM302688;NC(=O)C(=O)COCCO;NJLNTVZNQOSEEN-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302689;MM302689;C=CCC1CC1(C)C(C)F;LGCKSBGEADXYFA-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302690;MM302690;Cn1[nH]nc(N)c(=O)c1=O;OROVUURXCHKDQI-UHFFFAOYSA-N;142.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302691;MM302691;C=CCC1CC1(N)C(C)C;CDYLHWKXCGDEPV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302692;MM302692;C=C(C)C(=C)COCOC;AYSGZVKLCSGVJM-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302693;MM302693;CC(C)C1(O)CC1NC=O;XHJOZKLVRYRPNM-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302694;MM302694;O=CC1=NOC(C=O)C1;XPRVEXMJNUFNJB-UHFFFAOYSA-N;127.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302695;MM302695;CC(C)C1(C)CC1OC=O;LFXOYHUGILONCD-UHFFFAOYSA-N;142.2;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302696;MM302696;C=C(F)C(=C)COCOC;HQQJNVTWWINVDS-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302697;MM302697;C=NOC1CC1(C)C(C)N;RLXZRQRCZUIVQY-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302698;MM302698;COCOCC(=O)C(C)=O;IMDYIHCQBUMMEW-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302699;MM302699;CC1C(C)N1CC(=O)C=O;GWGHJDIPGXEVLT-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302700;MM302700;COCOCC(=O)C(=N)N;ZCHNAODPRLDVNE-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302701;MM302701;CN(C)C1(C)CC1NC=O;RIHURILZLQVSAM-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302702;MM302702;CC=C(C)CC(=O)C(=N)N;KRALJIQUMMHCER-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302703;MM302703;CC(C)C1(C)NC1CC#N;BRJDUFPMIAWPBM-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302704;MM302704;N=C(N)C(=N)NCCCN;LCXUQMRKTUPEIA-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302705;MM302705;C=CCC1NC1(C)C(C)F;FTXDHRIXXNUGEX-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302706;MM302706;N=C(N)C(=N)NCCCO;SKWSWYGAZVBUQJ-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302707;MM302707;CC(C)C1(C)CN1CC#N;DAPGVVOGWVTDLU-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302708;MM302708;CCCCNC(=O)C(C)=O;XHRVIJZMIOHWHM-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302709;MM302709;C=CC(C#N)=NOCC=O;ZBEDSZXQLFXWRK-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302710;MM302710;N=C(N)C(=O)NCCCN;ZISLLAOUWSVLCN-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302711;MM302711;C#CCC1CC1(C)C(C)F;PLXZWDBJHYUUHA-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302712;MM302712;C=C(F)C(=O)NCCCN;HEBPDQHCLGVPGB-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302713;MM302713;C#CCC1CC1(N)C(C)C;AQUYVXDKPCXOLT-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302714;MM302714;C=C(F)C(=O)NCCCF;YRSUOSXMJZKMRZ-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302715;MM302715;C#CCC1NC1(C)C(C)N;QKTPWSRUOQVHSJ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302716;MM302716;C=C(F)C(=N)NCCNC;AXAAHAIPNLCMBA-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302717;MM302717;C#CCC1OC1(C)C(C)O;BNNQMMDYCQIOAQ-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302718;MM302718;C=C(C)C(=O)NCCNC;BDBNAZREEBZYSV-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302719;MM302719;C=C(C)C1(C)CC1CCC;LLLGLJIJQCYIHQ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302720;MM302720;CNCCNC(=O)C(C)=O;HQQPKXVMQXMCEG-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302721;MM302721;C=C(C)C1(C)CC1CCN;FFKFEBHGHOGTQG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302722;MM302722;CNCCNC(=O)C(=N)N;YNAVRCMZPDUGGK-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302723;MM302723;CCCC1CC1(C)C(C)=O;QPWQMAYYZVQJNS-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302724;MM302724;CNCCNC(=O)C(N)=O;LWTKEZLBTRSAKQ-UHFFFAOYSA-N;145.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302725;MM302725;CCCC1CC1(C)C(=N)N;KJWRVYCJWLENEY-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P1";;;;;;;2;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302726;MM302726;C=C(F)C(=O)NCCNC;LZAFALJITOSJRU-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302727;MM302727;C=CC(=CC)C(C)NC=O;ZSJGICBGCYRJKX-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302728;MM302728;COCCNC(=N)C(=N)N;AOHMSRODOPTCIM-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302729;MM302729;C=C(C)C1(N)CC1CCC;AFVWADGNXJURNI-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302730;MM302730;C#CCC(C)CNC(C)=O;JHQCNCCIDARHRO-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302731;MM302731;C=C(C)C1(N)CC1CCN;GQIBECLRJJSUND-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302732;MM302732;CC(C)=CC(=NN)C(=O)O;FCKSSEMKCGYITB-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302733;MM302733;C=C(C)C1(N)CC1CCO;YBMRYZWAYOLSJB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302734;MM302734;COCCNC(=O)C(N)=O;DUJDOMGZARFANU-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302735;MM302735;C=C(C)C1(N)CC1CCF;WDXRDCJTYGNOMK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302736;MM302736;COC=NOCCC(=O)O;NODXWRKKOVGQNJ-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302737;MM302737;CC1CN1CC(C=O)CF;POVCLDMEMBVAGQ-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302738;MM302738;C=C(C)C(=N)NNCCO;WLMSBJLVHXHFFV-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302739;MM302739;N=C(N)C1(O)CC1CCN;NEPPLLZCWPSAEF-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302740;MM302740;N=C(N)C(=N)NNCCN;PEBFNVWQTDTRFX-UHFFFAOYSA-N;144.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302741;MM302741;C=C(C)C1(C)CC1CNC;BFXREEGXALNLEG-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302742;MM302742;NCCNN=C(N)C(N)=O;PPTBKSDYHXMGDP-UHFFFAOYSA-N;145.17;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302743;MM302743;C=C(C)C1(O)CC1CNC;OEMZXSSRAWPKMM-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302744;MM302744;CCCNNC(=O)C(C)=O;QNRXYXPZRQJGCA-UHFFFAOYSA-N;144.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302745;MM302745;C=C(C)C1(C)CC1NCC;KUQMETKYSXZIIW-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302746;MM302746;NCCNNC(=O)C(N)=O;GKTXCEZJZUJGIC-UHFFFAOYSA-N;146.15;-2.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302747;MM302747;CCNC1CC1(C)C(C)=O;NQXCETYQDMPYQZ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302748;MM302748;NC(=O)C(=O)NNCCO;FQRGAUSUNZNQKJ-UHFFFAOYSA-N;147.13;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302749;MM302749;CCNC1CC1(C)C(=N)N;SAEOGVAKAGSUOC-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302750;MM302750;C=C(C)C1(N)CC1NCC;JDQSXAGGSADMLI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302751;MM302751;C=NNC(C)CC(=O)NC;PNKXYFJBBMESSW-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302752;MM302752;CCNC1CC1(N)C(=N)N;OVZUGANKAKSWGI-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302753;MM302753;C=C(F)C(=O)NNCCF;WBVBIADKCGGNOL-UHFFFAOYSA-N;150.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302754;MM302754;C=C(C)C1(O)CC1NCC;KCOVYOXKWOGOOG-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302755;MM302755;C=C(C)C(=N)NOCCC;FBBYTWNCYLODBQ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302756;MM302756;C=C(C)C1(F)CC1NCC;WUSGREZIKIRXTE-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302757;MM302757;N=C(N)C(=N)NOCCO;HGMMFFVLUSWVOC-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302758;MM302758;C=C(C)C1(N)CC1OCC;KQGQQZBEVMOKFP-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302759;MM302759;NCCON=C(N)C(N)=O;BAUDZEMULIOHDT-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302760;MM302760;C=C(C)C1(O)CC1OCC;PJAYPUUOULKYMQ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302761;MM302761;C=C(C=O)C(N)=CC(N)=O;RVVNEYNCTHLSRY-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302762;MM302762;C=C(C)C1(C)NC1CCN;URDMLDNAWXXMON-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302763;MM302763;COc1nc(=N)c(F)n[nH]1;OQYSXOJPFYWEQH-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302764;MM302764;C=C(C)C1(C)CN1CCN;HQUMUOZEFVUXDY-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302765;MM302765;C=C(F)C(=N)NOCCN;RCQXTMMGKPLPIG-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302766;MM302766;CCC1CC1CC(=O)NC;DXMBVPVBHSKQAY-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302767;MM302767;C=C(C)C(=O)NOCCC;ZGRUJQVDNZBERJ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302768;MM302768;C=C(C)C1(C)CN1CCF;KXTUDQORXGUPMY-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302769;MM302769;C=Cn1[nH]c(=O)n(N)c1=O;GWDRINMDBQKVII-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302770;MM302770;C=CCC1CC1(C)C(C)=O;VGROBNPJSISLKJ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302771;MM302771;N=C(N)C(=O)NOCCN;KTGBUXGSLLCSIF-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302772;MM302772;CC1(C(=N)N)CC1CC=O;NSXAVCYZSSMUGC-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302773;MM302773;Cn1nc(N)c(O)c1F;RRMBTWVWTDCKTN-UHFFFAOYSA-N;131.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302774;MM302774;CCCC1NC1C(=O)C#N;DATLIVJWYRQHRS-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302775;MM302775;C=CC(C)N=C(N)C(=O)O;JHEQSQUJRROSSM-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302776;MM302776;CN=CNN=CCC(=O)O;NBRWRZAALNHQLC-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302777;MM302777;C=NN1CC1C(C#N)=NO;LMCQMFFELLSDET-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302778;MM302778;C=CCC1CC1(O)C(C)=O;IWNKPTYIWGPMAA-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302779;MM302779;COCONC(=N)C(=N)N;RBJSXLQZFVIMEM-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302780;MM302780;CC(=O)C1(C)CC1N=CN;SQFRTWWZKYCDEG-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302781;MM302781;CC=CC#CC=CC(N)=O;CKDGPEKKZSSAIM-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302782;MM302782;CC(=NOCC=O)N1CC1;HMICFSNRZXCWGX-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302783;MM302783;Nn1[nH]cc(F)c1=O;RUSMPWHHGPMNNT-UHFFFAOYSA-N;117.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302784;MM302784;C=C(C)C1(N)CC1NC=O;IPVYLZZUBHXSTI-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302785;MM302785;C=C(OCCCC)C(C)=O;CLLWODZNAXDFNN-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302786;MM302786;C=C(C)C1(O)CC1NC=O;GUPWOVZCCXGWCH-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302787;MM302787;C=C(OCCCO)C(=N)N;JDSRYROJAHXLGV-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302788;MM302788;C=NNC1CC1(C)C(=N)N;DZDPQQPPDNANOE-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302789;MM302789;C=C(OCCCO)C(N)=O;JYXTYEPLPHTQJP-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302790;MM302790;C=NNC1CC1(F)C(=C)C;PIVOGJHRXKMRIM-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302791;MM302791;N=C(N)C(=O)OCCCN;VBDJWWATURXPDM-UHFFFAOYSA-N;145.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302792;MM302792;C=COC1CC1(C)C(=C)C;RHGWQYBRHNULHW-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302793;MM302793;C=C(C)C1(C)CC1OC=O;VIVGQWSLFVGLLB-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302794;MM302794;C=C(C)C(F)CCNC=O;VSIQUIOIYLGYJF-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302795;MM302795;CC(=O)C1(C)CC1OC=O;LENOFHNKLNQDIX-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302796;MM302796;NC(=O)C(=O)OCCCO;MDBMWLXOCAWHLT-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302797;MM302797;C=C(C)C1(O)CC1OC=O;ZLFMAQNEHZYYKW-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302798;MM302798;C=C(F)C(=O)OCCCF;FSDDFFOKMVGAFC-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302799;MM302799;C=CCN1CC1(C)C(=C)C;NNEZJGJPGSCHGH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302800;MM302800;C=C(OCCNC)C(C)=O;JSDPTODCWOPRTJ-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302801;MM302801;C=C(C)C1(C)CN1NC=O;MIPKZIRZXLQROY-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302802;MM302802;C=C(OCCNC)C(N)=O;DBSYXJZZSDBGFS-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302803;MM302803;C#CCC1CC1(C)C(=C)C;DGMOLJFJDPVPTB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302804;MM302804;CNCCOC(=O)C(=N)N;QXOOUAASDXXNDG-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302805;MM302805;C#CCC1CC1(N)C(=C)C;KNGVNTJJLZHLMF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302806;MM302806;CNCCOC(=O)C(N)=O;OFWFCVAFKRVGPO-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302807;MM302807;CCCC(C)C1(C)CC1C;JWKITRAWMOMPLK-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302808;MM302808;C=C(OCCOC)C(=N)N;TZKOIFRYTHCTTR-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302809;MM302809;CC(CCN)C1(C)CC1C;NWKZQTSXSDOYTC-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302810;MM302810;CNn1[nH]cc(F)c1=O;ITBJEGCTJAGIPP-UHFFFAOYSA-N;131.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302811;MM302811;COCC(C)C1(C)CC1C;FAHOAGVERNOGHV-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302812;MM302812;COCCOC(=O)C(=N)N;HSNXXWCGIGFFDK-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302813;MM302813;COCC(C)C1(C)CC1N;IPZRXIQNPFBUSO-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302814;MM302814;COCCOC(=O)C(N)=O;HQWHKGCOPFIMSG-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302815;MM302815;COCC(C)C1(C)CC1F;CNOJPENHKRDWNB-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302816;MM302816;CN=c1[nH]nc(C)c(=O)o1;QPXZGCOHKDLTSO-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302817;MM302817;COCC(C)C1(O)CC1N;NLSZDDWFFYZGRA-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302818;MM302818;C=C(C)C(=C)CCCC=O;NOJMHYDEWAGRDF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302819;MM302819;CCNC(C)C1(C)CC1C;YTJQKHNMKIXAGF-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302820;MM302820;C=C(C)C(=C)CCCC#N;ALISQPNXYPJRHO-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302821;MM302821;CCNC(C)C1(C)CC1N;RFCYRUKRABGRIS-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302822;MM302822;C=CCCCC(=C)C(C)=O;LFUOZBDMOUHABS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302823;MM302823;CCCN(C)C1(C)CC1C;XTNZWXYHEOLKHG-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302824;MM302824;C=CCCCC(=C)C(=N)N;AOPQRWFNUBGWHP-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302825;MM302825;CC1CC1(C)N(C)CCN;PNTBLKLWEGOMKC-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302826;MM302826;C=NN(C)CCC(=O)NC;BSZYYFIDQCTIAP-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302827;MM302827;C=CCC(C)C1(C)CC1C;LMUQAMSUACYVRN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302828;MM302828;CNN(C=O)C=CC(N)=O;MANIGBUAMVCHBU-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302829;MM302829;C=CCC(C)C1(C)CC1N;QGZUQXGNVAVXOJ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302830;MM302830;C=CCCCC(=C)C(=O)O;XUTSYKZLFHEKGC-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C1";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302831;MM302831;Nc1cnco1;YBEAMOBHNFDQMM-UHFFFAOYSA-N;84.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302832;MM302832;C=CCCCC(=O)C(=C)C;SZBMKVIEJIZFOV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302833;MM302833;CC1CC1(C)C(C)NC=N;NTHWEHBZQOCOLG-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302834;MM302834;CC(=O)C(=O)CCCC=O;SKWKLDMRVFABNS-UHFFFAOYSA-N;142.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302835;MM302835;NC(=O)C=C(N)N;OIWRHZUWNWDKPI-UHFFFAOYSA-N;101.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302836;MM302836;CON=CNCC(=O)O;QZZKYUCHOHWMGL-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302837;MM302837;CC(NC=O)C1(C)CC1N;AVEUMHYXOVINLR-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302838;MM302838;C=C(C)C(=C)CCNC=N;CYBSNDAUGHIMHP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302839;MM302839;CC(NC=O)C1(C)CC1O;IOSHNBTZYBSVQC-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302840;MM302840;N#CC(=O)C(=N)NCC=O;HGRMFJBDZVPDCI-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302841;MM302841;CC1CC1(N)C(C)NC=N;HHRADWKSFWMFJI-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302842;MM302842;C=C(F)C(=C)CCNC=N;FHQMMHIWESAIKB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302843;MM302843;CC(NC=N)C1(N)CC1N;DGLZSNJVOYBJLK-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302844;MM302844;CC(=O)C(=O)CCNC=O;JLCZDKPWLIXUTA-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302845;MM302845;CC1CC1(O)C(C)NC=O;MKELRYUASCRRKH-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302846;MM302846;C=C(F)C(=O)CCNC=N;AMMSTOQBYAQNAJ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302847;MM302847;C=NNC(C)C1(C)CC1C;SSRKZAPMXZSIJW-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302848;MM302848;C=C(F)C(=O)CCNC=O;AEDNXUSEXJTJOP-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302849;MM302849;CC1CC1(C)C(C)OC=O;UGNNVHZNZPUGRM-UHFFFAOYSA-N;142.2;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302850;MM302850;C=NNCCC(=C)C(=C)C;QUTKQXBLJCNLFS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302851;MM302851;C=COC(C)C1(C)CC1N;KJPJAAYRFOPBSO-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302852;MM302852;C=CC(CCF)CNC=O;KSBLWAXGEGXPCD-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302853;MM302853;C=COC(C)C1(C)CC1O;MSZQEQDNPHWKIB-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302854;MM302854;C=NNCCC(=C)C(=C)F;FINASFAWPSNBIG-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302855;MM302855;C=COC(C)C1(N)CC1C;KMYLTIFGHPDQTL-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302856;MM302856;NN=CC(C=CCO)=CF;XTVVDXIQXYKRDO-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302857;MM302857;C=NOC(C)C1(C)CC1C;OATUWJUFRQDDDI-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302858;MM302858;C=C(C)C(=C)CCOC=O;SESQMDCWRYMQOW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302859;MM302859;CCC(C)NC(C)=O;FILVHGGOUFZULB-UHFFFAOYSA-N;115.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302860;MM302860;C=COCCC(=C)C(C)=O;YJCFJZNTPKSQLH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302861;MM302861;CC=CC(C)NC=O;GLBGEEUQELBQFF-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302862;MM302862;C=C(CCOC=O)C(C)=O;GJJJTAVFYVUFLY-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302863;MM302863;CC1CC1(C)N(C)NC=N;DLGJINYMMWMEAP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302864;MM302864;N=c1cc(F)c(O)nn1O;WQLTYWIFEDPINW-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302865;MM302865;CN(NC=O)C1(C)CC1O;CNCOKITWYHGBMA-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302866;MM302866;C=C(F)C(=C)CCOC=O;XLHLQXIZXQVDMJ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302867;MM302867;C=COCCC(=O)C(=C)C;WXIPZUOMJFVLSG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302868;MM302868;C=CC=CCNC=O;PVZHADPMVQKEIF-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302869;MM302869;C=NOCCC(=C)C(=C)C;MFDAYZYEMYCWOK-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302870;MM302870;C=COC(C)C1(C)OC1C;OHMCKPZFRAMITB-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302871;MM302871;C#CC#CC1=NCC(=N)N1;GDMUGCXWGJXTLR-UHFFFAOYSA-N;131.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302872;MM302872;CCNC(=O)C(C)(C)C;ICMYVGUJSCZEMG-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302873;MM302873;O=CC=CCCCNC=O;VQBXIAHAPIUFCG-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302874;MM302874;CC(OC=O)C1(C)CN1C;CBJFHUWTJWNQEE-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302875;MM302875;C=CC#CCCCNC=O;TZTXYNBLVDZEKT-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302876;MM302876;C=C(CCC)C1(C)CC1C;XDRPJTSRFPELTL-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302877;MM302877;C=CCNCC(=C)C(=C)C;HRUDUFLQQFEISP-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302878;MM302878;C=C(CCO)C1(C)CC1N;GALZYSFMLDDEFZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302879;MM302879;CC1(C)CN1CC(N)=O;YPVDYBKRTISORX-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302880;MM302880;C=C(C)C(=C)CNCC#N;YYTWWOZREQVNHM-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302881;MM302881;C=C(CNC)C1(N)CC1C;XDZZIKOYAOLKJB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302882;MM302882;Nc1nc(N)c(N)o1;JGBDUYZZWFNSOY-UHFFFAOYSA-N;114.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302883;MM302883;CCNC(=N)C1(C)CC1N;FGTRMSYPRFFQIR-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302884;MM302884;C=CCNCC(=C)C(=N)N;OMRXJRCBJYHUEF-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302885;MM302885;CCNC(=N)C1(C)CC1O;ZPKNEXFNLMGTTP-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302886;MM302886;C=C(CNCC#N)C(=N)N;RITKVARLZCKPLW-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302887;MM302887;CC(C=CC(N)=O)=NN;VXYJEQQNVRIKCE-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302888;MM302888;C=CCNC(=O)C=C;CNPHCSFIDKZQAK-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302889;MM302889;CNNC(=O)C1(O)CC1O;DAUSIUOGIISAKX-UHFFFAOYSA-N;146.15;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302890;MM302890;C#CC1=NCC(=N)N1;ZACCTEQEWOGWBJ-UHFFFAOYSA-N;107.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302891;MM302891;CNNC(=O)C1(F)CC1C;LAFIRRZDAHIWDQ-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302892;MM302892;C=C(C)C(=C)CNNC=N;GUHAGBQRFKLBNS-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302893;MM302893;CONC(=N)C1(O)CC1C;NZMWJQNRGVVRGY-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302894;MM302894;C=C(F)CCCC(N)=O;JTYAWAMRMUQIPU-UHFFFAOYSA-N;131.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302895;MM302895;C=C(OCC)C1(O)CC1C;VLFHUPAQTDOPDW-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302896;MM302896;C=CC=NNCC(N)=O;YFCGFWMKLSNSHU-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302897;MM302897;C=C(OCC)C1(C)NC1C;GBGUHYQYNZHVHA-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302898;MM302898;C=C(CNNC=N)C(=N)N;YVSFGLGQPBJZRG-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302899;MM302899;C=C(CCC)C1(C)OC1C;FKBRTFDMJNMOMR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302900;MM302900;C=C(CNNC=O)C(=N)N;OQZZTDAFTYZSJV-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302901;MM302901;COCON=CC(F)F;JTEVRTOGYIWKHY-UHFFFAOYSA-N;139.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302902;MM302902;O=CCON=CC(F)F;VZAMBODVFZKGDW-UHFFFAOYSA-N;137.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302903;MM302903;C=CCC(=C)C1(C)CC1C;CNCFCDOERGWKEN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302904;MM302904;CC(=O)C(=O)CNN=CN;WEQZOOAFGWUKJI-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302905;MM302905;C=C(CC#N)C1(C)CC1C;JQRHNRVMGQEEGP-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302906;MM302906;CC(=O)C(=O)CNNC=O;YYQBVIHDKMORGS-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302907;MM302907;C=C(C)C(C)C(=O)NC;KEDSBYCDHGHBNZ-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302908;MM302908;C=C(C)C(=C)COCC#N;IXXQVKDMNDMKFT-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302909;MM302909;CC1CC1(O)C(=O)CC#N;XPLLRUGFWOKRGT-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302910;MM302910;C=CCOCC(=C)C(C)=O;WARZTABOCSZMPS-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302911;MM302911;C=CNC(=N)C1(C)CC1C;FACUATIBEMWUPN-UHFFFAOYSA-N;138.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302912;MM302912;CC#CC=C(C)C(N)=O;VEHKVIGSHJFZBW-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302913;MM302913;C=CNC(=O)C1(C)CC1C;ALIQBDYCCROVOT-UHFFFAOYSA-N;139.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302914;MM302914;CCC(COC)NC=O;WWKIMQGPOVGJBW-UHFFFAOYSA-N;131.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302915;MM302915;C=C(NC=O)C1(C)CC1N;BPERRCHFVHLSDW-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302916;MM302916;N#CCOCC(=O)C(=N)N;FSNQCLPNJSVVDN-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302917;MM302917;C=CNC(=N)C1(C)CC1O;MYQLIZCVIFXHBO-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302918;MM302918;C=CCOCC(=O)C(N)=O;BPUNCHRMYKJZCU-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302919;MM302919;CC1(C(=N)NC=N)CC1O;FXPHTIVHUGRAJF-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302920;MM302920;NC(=O)C(=O)COCC=O;NEGAIEWAJSTVEJ-UHFFFAOYSA-N;145.11;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302921;MM302921;CC1CC1(O)C(=O)NC=N;OZIHRFQHLJCVPX-UHFFFAOYSA-N;142.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302922;MM302922;C=C(CONC=N)C(N)=O;MTGODRBGDOFNCQ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302923;MM302923;C=COC(=C)C1(C)CC1C;ZFIWWIOHGWMWLC-UHFFFAOYSA-N;138.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302924;MM302924;C=C(F)C(=C)CONC=O;XUPSLZCGFSSVEG-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302925;MM302925;CC1C(C)N1CC(N)=O;HWSMMLQXAULGSQ-UHFFFAOYSA-N;128.18;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302926;MM302926;N=CNOCC(=O)C(=N)N;FUOFOPZIYUWRCX-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302927;MM302927;CC=CC(C)C(=O)NC;UBGKKBVWVIXFPZ-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302928;MM302928;N=CNOCC(=O)C(N)=O;PPJPLEMJTNECLZ-UHFFFAOYSA-N;145.12;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302929;MM302929;C#CCC(=O)C1(C)CC1C;LGJSTHBOIROQQA-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302930;MM302930;CC(=O)C(=O)NCCC#N;GZCFBGGFPAYOGQ-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302931;MM302931;C#CCC(=C)C1(C)OC1C;GGDMUKMMAMKZDI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302932;MM302932;CC(F)(C=O)CC(=O)O;RECMYSVLQIVSKZ-UHFFFAOYSA-N;134.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302933;MM302933;CC(C)C1(C)C(C)CC1C;ZCYFXLITRUFJFY-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302934;MM302934;C=C(CCOC=O)C(=O)O;CBOBEAIHRDLPEE-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302935;MM302935;CC(C)C1(N)C(C)CC1C;TUDUZBLGDYAZNR-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302936;MM302936;C=C(F)C(=O)NCCC=O;UUEANVZOUIVYTC-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302937;MM302937;CC(C)C1(C)C(C)NC1C;MGYAZWLSTNJKQO-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302938;MM302938;C=C(F)C(=O)NCCC#N;KIZIYXLHXUZHPP-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302939;MM302939;CC(C)C1(N)C(C)NC1C;KFVCWRUZXIUUQC-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302940;MM302940;C=C(C)C(=N)NNCC=O;QZUZBFMEMKPPNU-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302941;MM302941;CC(C)C1(C)C(C)OC1C;IJCQOSNTTPFLTQ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302942;MM302942;CCn1cc(F)c(N)n1;DNEBBHAWHMKFNP-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302943;MM302943;C=C(C)C1(C)C(=O)NC1C;LODHGFSUFBJJIE-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302944;MM302944;N#CCNNC(=N)C(=N)N;HHLFQKUWNKPKFE-UHFFFAOYSA-N;140.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302945;MM302945;N=C(NN)C(F)C=NN;VJKMYPLWKKCTAW-UHFFFAOYSA-N;133.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302946;MM302946;C=NN=C1C=CN(C)C1;ZIROWZHYWLDOMS-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302947;MM302947;CC(C)C1CC(CN)C1C;AYUMUDNGTVTKHP-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302948;MM302948;CC(C)=C(C=O)C(=O)O;ZHULVQIOBXDEHG-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302949;MM302949;C#CC=C(CC(=O)O)OC;NJLSPKPSGSIWBQ-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302950;MM302950;CC(N)C1CC(CN)C1C;JLKAYDNQDMWIJP-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302951;MM302951;C=CCNNC(=O)C(C)=O;SAZBOADNICVBHG-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302952;MM302952;CC(N)C1CC(CF)C1C;PFVOVOKWXFUXLZ-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302953;MM302953;N#CCNNC(=O)C(N)=O;ZAJAQWSDBVWQGO-UHFFFAOYSA-N;142.12;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302954;MM302954;C=C1NC(=N)N(N)C1=O;FSACRJDFPZTSCV-UHFFFAOYSA-N;126.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302955;MM302955;C#CC(=COC)CC(=O)O;PWRVKHVCOWYFJG-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302956;MM302956;CC(C)C1CC(CN)C1N;OZNCYRFRDKMEEM-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302957;MM302957;CCCc1cc(N)n[nH]1;SNRYBQUHJRIMJO-UHFFFAOYSA-N;125.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302958;MM302958;CC(N)C1CC(CN)C1N;KTZGGJUZWXWGOB-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302959;MM302959;N=C(N)C(=N)NOCC=O;YYKLUHHOXDOILF-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302960;MM302960;CC(N)C1CC(CF)C1N;GSCPHCACLWNQMR-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302961;MM302961;CC(N)C1CC(CN)C1O;TWIIRODVIAKVDL-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302962;MM302962;CC(=O)NC(C)C1CC1;BDSFWCKDQOCPGE-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302963;MM302963;CNC1CC(C(C)C)C1C;IRZMZVIYPVMFMM-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302964;MM302964;CON1C=NC(=N)C1C;ZVNRVAPZOSJEGH-UHFFFAOYSA-N;127.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302965;MM302965;CNC1CC(C(C)N)C1C;KYNMAGMRGCBVML-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302966;MM302966;CN=c1[nH]c(=O)nno1;BNYUMJLXVSLWBW-UHFFFAOYSA-N;128.09;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302967;MM302967;CNC1CC(C(C)O)C1C;RDAHFVHXCUXBHS-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302968;MM302968;C=CC(=O)NCC1CC1;WUDXQWCCOVUKQZ-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302969;MM302969;COC1CC(C(C)O)C1N;RKUCMEUUAFDDNG-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302970;MM302970;COC(C)(C)OCC(=O)O;AYZDJARWUJOVHZ-UHFFFAOYSA-N;148.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302971;MM302971;CC(O)C1NC(CF)C1C;ZTVWQGQMOMDEGQ-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302972;MM302972;CCOC(C)OCC(=O)O;LETZXJNAKVFQFC-UHFFFAOYSA-N;148.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302973;MM302973;CCC1CC(N(C)C)C1C;PSRMCRWPOCHQLK-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302974;MM302974;COCCCOCC(=O)O;CRVKIJPJIYEYRP-UHFFFAOYSA-N;148.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302975;MM302975;CC1C(CF)CC1N(C)C;LUVMREPWXUZXKD-UHFFFAOYSA-N;145.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302976;MM302976;CC(O)(C=O)CC(=O)O;FNQLMLZGNNKGBP-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302977;MM302977;CN(C)C1CC(CF)C1N;CCDZJPGUFXUQDU-UHFFFAOYSA-N;146.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302978;MM302978;C=C(CC(O)C=O)C(=O)O;VBHKYEZEXSDDHB-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302979;MM302979;CNC1CC(N(C)C)C1C;RACIORMRWDFZJM-UHFFFAOYSA-N;142.25;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302980;MM302980;C=C(OCCC=O)C(N)=O;WWSSPNVTUCHKFK-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302981;MM302981;CCN1CC(C(C)N)C1C;AGTVRLMWNVLCCM-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302982;MM302982;C=C(C)C(C)(C)NC(C)=O;QGJZWIVRXKUBNV-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302983;MM302983;CCN1CC(N(C)C)C1C;DASMPXDAHDCJEH-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302984;MM302984;NC(=O)C(=O)OCCC=O;MHCXYNQHPODZKK-UHFFFAOYSA-N;145.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302985;MM302985;CC(N)C1CC(CN)N1C;UHPNODKZSLVJPB-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302986;MM302986;C=C(F)C(=O)OCCC=O;BAXYOWMGAXZXBD-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302987;MM302987;CC(N)C1CC(CO)N1C;BOYRWIJOVJALKA-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302988;MM302988;C=C(F)C(=O)OCCC#N;HAAPDXHCLCZEOG-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302989;MM302989;CC(N)C1CC(CF)N1C;NTDWYNXYWUHJAS-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302990;MM302990;C=C(OCOC=O)C(=N)N;UEJMHUHCPSFXIL-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302991;MM302991;CCC1CN(C(C)C)C1C;ZFRQHBFPUMSCGS-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302992;MM302992;O=C(O)CC1C(O)C1O;CXYOIFSBSFTCPN-UHFFFAOYSA-N;132.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302993;MM302993;C=CC1OC(C(C)N)C1C;XFXNFGIJQKRRBN-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302994;MM302994;C=COCOC(=O)C(C)=O;AJQFZXJOTOCYES-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302995;MM302995;CC(C)C1CN(C=N)C1C;IWNKAAKRCDDCMI-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302996;MM302996;NC(=O)C(=O)OCOC=O;GPTQPDCEPIVYOI-UHFFFAOYSA-N;147.09;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302997;MM302997;CC(C)C1CN(C=O)C1C;AHADWVGQSWOVGO-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302998;MM302998;C=CC(C)(CC)NC(C)=O;KRRKKTFWFKXBBH-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM302999;MM302999;CC(N)C1CN(C=N)C1C;IKNZLGNHGLNGSQ-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303000;MM303000;C=NOCOC(=O)C(=C)F;HJLICMFFBOOVAI-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303001;MM303001;CC(O)C1CN(C=O)C1C;URUDJQNHMWCHQP-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303002;MM303002;C=CC(C)NC(=O)C(C)C;OSLGHBJLGIUHFR-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303003;MM303003;CC(F)C1CN(C=N)C1C;ZSODMGHOPDTQBW-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303004;MM303004;C#CCNCC(=C)C(=C)C;OIXAGVOORONICM-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303005;MM303005;C=NN1CC(C(C)N)C1C;PDXJWCYQHAVFOB-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303006;MM303006;C#CCOCC(=C)C(=N)N;HUTUSEVECVCOJK-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303007;MM303007;CC(C)C1CC(C#N)N1C;SYCBNQYEFMEAEC-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303008;MM303008;C=C(F)CCC(=C)C(N)=O;LNTSEYMKBKUSSH-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303009;MM303009;C=CC1CC(C(C)O)N1C;ZTRLABHANMNQHW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303010;MM303010;C#CCOCC(=O)C(=C)C;VUZWMLNFQVAGSC-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303011;MM303011;CC(C)N1CC(C=O)C1C;RWTLQZPSGGEGHY-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303012;MM303012;C#CCOCC(=O)C(=N)N;YCUXDLXSCSGLEG-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303013;MM303013;C#CC1CC(N(C)C)C1N;DGECOIMCFHCBQN-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303014;MM303014;C#CCOCC(=O)C(N)=O;YREPRQSUZUZGJF-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303015;MM303015;C#CC1CC(C(C)C)N1C;KCXMLBZEZFHGAY-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303016;MM303016;O=C(O)CC(O)(CO)CO;YCDYGMMOHMTTHN-UHFFFAOYSA-N;150.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303017;MM303017;C#CC1CC(C(C)N)N1C;FPDOMDDTAFIFLQ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303018;MM303018;C#CCCNC(=N)C(=N)N;JEAKZCJYNACBGW-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303019;MM303019;C=C(C)C1CC(CN)C1C;OAQMMBOQMAMJFQ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303020;MM303020;CC#CC(C(=O)O)C(C)O;GPBQSCHISFCXAS-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303021;MM303021;Cn1c(N)cc(N)c1O;UVVBAJKRDSUTOK-UHFFFAOYSA-N;127.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303022;MM303022;CNC(=O)CC(C)C=NN;JENFKFDCJKXRDN-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303023;MM303023;C=C(C)C1CC(CF)C1C;LPEZWUWIULBDCL-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303024;MM303024;C#CCNNC(=N)C(=N)N;HFRFRLRAGHIGNO-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303025;MM303025;CC(=O)C1CC(CF)C1C;MNVOSWLDOFXGPI-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303026;MM303026;C#CC=CC(CO)C(=O)O;GTONKEMQAYBUCP-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303027;MM303027;CC1C(CF)CC1C(=N)N;SIXXAOACQYJBPW-UHFFFAOYSA-N;144.19;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303028;MM303028;C#CCNNC(=O)C(C)=O;VNEZITSNQNRURT-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303029;MM303029;CC(CC1CC1)NC=O;PHTZZOGJBRZDGO-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303030;MM303030;C#CCNNC(=O)C(N)=O;UOSVMDLLVMFZIY-UHFFFAOYSA-N;141.13;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303031;MM303031;C=C(F)C1CC(CF)C1C;DFGYSLFMJWWSIB-UHFFFAOYSA-N;146.18;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303032;MM303032;C#CCONC(=N)C(=N)N;QCNVWWJDENBSMH-UHFFFAOYSA-N;140.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303033;MM303033;N=C(N)C1CC(CF)C1N;VZGJVPSFIODABA-UHFFFAOYSA-N;145.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303034;MM303034;C=CC(=C)C(C)NC(C)=O;PSUQPWJAOQINJD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303035;MM303035;C=C(F)C1CC(CF)C1N;CBLQFBRDGXSKQS-UHFFFAOYSA-N;147.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303036;MM303036;CC(CO)COCC(=O)O;GLEPDXWXKSFJHZ-UHFFFAOYSA-N;148.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303037;MM303037;C=C(C)C1CC(CF)C1O;ZGEZILFXJCDBBA-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303038;MM303038;C#CCCOC(=C)C(=N)N;RBDGTXWZEZSFQS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303039;MM303039;C=C(C)C1CC(NC)C1C;QXMFMJMHJWUQCA-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303040;MM303040;C#CCCOC(=C)C(N)=O;SCUYIADLCPKTDR-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303041;MM303041;C=C(C)C1CC(NC)C1N;FXHVUZVXMLIXLV-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303042;MM303042;C#CCCOC(=O)C(C)=O;YNTJFWPDIWOGCW-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303043;MM303043;C=C(F)C1CC(OC)C1C;WOZTWNHRXHOYRN-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303044;MM303044;C#CCCOC(=O)C(=N)N;RUYGKKQDIZNMPE-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303045;MM303045;C=C(C)C1CC(OC)C1N;IJAXYDSACANQCH-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303046;MM303046;C#CCCOC(=O)C(N)=O;ZFCMUESYPQPFIV-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303047;MM303047;C=C(C)C1NC(CF)C1C;HAVKCBMUUXSCLS-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303048;MM303048;CC=CCCC(C)C(C)N;IAEUCTKKJDYTOW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303049;MM303049;C=C(C)C1OC(CC)C1C;GZXCXNMJVOPGHW-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303050;MM303050;CC(N)C(C)CCC=CF;KKLDKULAECHLFP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303051;MM303051;CCC1OC(C(C)=O)C1C;TWQQXAZUBWJTRT-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303052;MM303052;C=CN(N)C(=O)CC(=C)F;ZAWDBNSXOQQEJJ-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303053;MM303053;C=C(C)C1CN(CC)C1C;ATGXUJDUOQUXOW-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303054;MM303054;CC=CCCC(C)C(C)F;JYERPQOTPVFYJE-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303055;MM303055;CCN1CC(C(=N)N)C1C;MFQOJVXGPALMLR-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303056;MM303056;CC=CCCC(N)C(C)C;AJVVDXWGDRUEFH-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C3";;;;;;;3.9;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303057;MM303057;C=C(C)C1CC(CC)N1C;ZIZVWLPAWYZVAD-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303058;MM303058;CC(C)C(N)CCC=CF;ATMHQSXWRVBYND-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303059;MM303059;C=C(C)C1CC(CN)N1C;IGPJOBZMGULGOR-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303060;MM303060;CC=CCCC(N)C(C)N;OEMXPJOEQCZXTO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303061;MM303061;C=C(C)C1CC(CO)N1C;JYGWLYTZXUHMTA-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303062;MM303062;CC=CCCC(N)C(C)F;LTONWKZULUSWFG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303063;MM303063;CN1C(CO)CC1C(=N)N;FDWLWRBXDYGXLS-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303064;MM303064;C#CC(=CC(N)=O)N(C)C;TVAIEBFPIPCZSV-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303065;MM303065;CC(=N)N1CC(CN)C1C;HAVFJOHXICQNRC-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303066;MM303066;C=CCOCC(C)NC=O;KKGGXNKJLYRAGZ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303067;MM303067;CC(=N)N1CC(CF)C1C;UUAVKSKTRYBSMU-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303068;MM303068;CC(O)C(O)CCC=CF;BZFGIQLPQJPVCE-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303069;MM303069;CC(=O)N1CC(CN)C1C;JAQNBCTYVCVNJE-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303070;MM303070;CC=CCCC(F)C(C)C;IPPVDPUKUITILO-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303071;MM303071;CC(=O)N1CC(CF)C1C;MLGJWGMIBZOKPL-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303072;MM303072;CC(C)C(F)CCC=CF;KANPQMNMPQCTQL-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303073;MM303073;CCC1CN(C(=N)N)C1C;WLUAPKJZGMPGOY-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303074;MM303074;CC=CCCC(F)C(C)N;QQLVJYVOLXMRDP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303075;MM303075;CC1C(CN)CN1C(=N)N;PRTMCSNUGOWXTJ-UHFFFAOYSA-N;142.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303076;MM303076;CC(N)C(F)CCC=CF;UIEJVZLXSOXRFJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303077;MM303077;CC1C(CF)CN1C(=N)N;NDZIRYXGCDAEFJ-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303078;MM303078;CC(C)C(C)CCC=NN;BOBDEXQTKBETTA-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303079;MM303079;CNC1CN(C(C)=N)C1C;HZHYAXPUHDQLDQ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303080;MM303080;CC(N)C(C)CCC=NO;DDHHJCOPOMRFEX-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303081;MM303081;CNC1CN(C(C)=O)C1C;SGIJMAGTHVJNOG-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303082;MM303082;CC=COCC(C)NC=O;FJIWZGVASFONHJ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303083;MM303083;CNC1CN(C(=N)N)C1C;SPUPMDYLZVFZDY-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303084;MM303084;CC(O)C(C)CCC=NO;AWDFUWIYXCCOND-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303085;MM303085;CC(F)C(C)CCC=NN;MFKYPRNRJMAELR-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303086;MM303086;COC1CN(C(C)=N)C1C;OTHBKDWQQWQUFW-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303087;MM303087;CC(F)C(C)CCC=NO;FZQGMMZWTUVXBU-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303088;MM303088;COC1CN(C(C)=O)C1C;NZOYVAVJLBOWMH-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303089;MM303089;CC(C)C(N)CCC=NO;MMSUKEDXBASABZ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303090;MM303090;COC1CN(C(=N)N)C1C;PXMWBEGMDKSUSR-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303091;MM303091;C=CCC(=O)CC=NN=C;HPZNPJVBMFQWSO-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303092;MM303092;C=CC1CC(C(=C)C)C1C;RNZZDPAKCLWJPI-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303093;MM303093;CC(C)C(O)CCC=NO;BHLVOAMDHDFRAG-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303094;MM303094;C=C(C)C1CC(C=O)C1C;MMDGZRPSSCVWDX-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303095;MM303095;CC(C)C(F)CCC=NN;JTRRTLNHXXCNAZ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303096;MM303096;C=C(F)C1CC(C=O)C1C;OJMMOKPIPRFRQK-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303097;MM303097;CC(C)C(F)CCC=NO;DOEWFHLJWRTVCA-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303098;MM303098;C=CC1CC(C(=C)F)C1O;RNXNXXAZIJTNIC-UHFFFAOYSA-N;142.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303099;MM303099;CN=CNCC(C)C(C)C;VWBRCOTUXJTYCX-UHFFFAOYSA-N;142.25;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303100;MM303100;C=C(C)C1CN(C=N)C1C;XORPQCPQFODRGN-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303101;MM303101;CN=CNCC(C)C(C)N;MDWUTHCCOONMKH-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303102;MM303102;CC1C(C(=N)N)CN1C=N;IWZYQMSIDYAROP-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303103;MM303103;CN=CNCC(C)C(C)F;PJZIRSHALGIDLH-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303104;MM303104;C=NN1CC(C(=C)C)C1C;GDJYDPBQKGCBOC-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303105;MM303105;CN=CNCC(N)C(C)C;UQIZXBNKHZTXHM-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303106;MM303106;C=NN1CC(C(=N)N)C1C;DOROHRYEKIUBNK-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303107;MM303107;CC(C)C(N)CN=CNO;HHEVZVYFQSOLHZ-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303108;MM303108;C=CC1CC(C(=C)C)N1C;PNEHGRKHGUGXTD-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303109;MM303109;CN=CNCC(N)C(C)O;LTSWTSXJXOJOMC-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303110;MM303110;C=C(C)C1CC(C#N)N1C;LOJMDAOADRCCMF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303111;MM303111;C#CCC(=O)C(N)=CC#N;XSSUMJRBUBJPPG-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303112;MM303112;Cc1c(N=N)c[nH]c1N;XTMCADHTYOBGRS-UHFFFAOYSA-N;124.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303113;MM303113;CN=CNCC(F)C(C)C;YUFYNRPKIJNAON-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303114;MM303114;C=CC1CC(C(=N)N)N1C;OIPDVRANYWNYEG-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303115;MM303115;CC(F)C(F)CN=CNN;RGOSFSGRXQFQKV-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303116;MM303116;CN1C(C=O)CC1C(=N)N;WBTNFIXEFLXEBP-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303117;MM303117;CC=NNCC(N)C(C)C;RRZOCBQEIIHNCI-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303118;MM303118;CN1C(C#N)CC1C(=N)N;NIPWDQDTOWDOMN-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303119;MM303119;C=NOC(CC=O)=NOC;SRUTVJLKUWXLLK-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303120;MM303120;O=CCON=CN1CC1;YFFDAOYIFVGCRQ-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303121;MM303121;CCCC(=O)NC1CC1C;SQBAYKWEQUUKTC-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303122;MM303122;C#CC1CC(C(=C)F)C1O;ALJLYLPYLHOENN-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303123;MM303123;CC=COCC(C)C(C)C;OJWYRLSOLLXFPT-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303124;MM303124;C#CC1CC(C(=N)N)N1C;YGUYBIBNAPRMCL-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303125;MM303125;CC=COCC(C)C(C)N;OUAWUNJHXUCTEN-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303126;MM303126;C#CC1CC(C(=C)F)N1C;DCOCEYAWWNSWPD-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303127;MM303127;CC=COCC(N)C(C)C;XEJFKTOHSDNVPC-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303128;MM303128;CC(C)C1CC(CO)C1=O;RVISXFTWQPRFOJ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303129;MM303129;CC(C)C(N)COC=CF;GBQSVQVWTBYSGT-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303130;MM303130;CC(C)C1CC(CF)C1=O;XVLVBYSVTAXLGI-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303131;MM303131;CC(C)C(O)COC=CF;OQAJUBPLCQYTKG-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303132;MM303132;CC(F)C=CCCC(N)=O;DEUKRIRARCHBHE-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303133;MM303133;CC(C)C(C)COC=NO;VFWLQNDSEWAWCV-UHFFFAOYSA-N;145.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303134;MM303134;CC(C)N1CC(CN)C1=O;HHPYZAGWIYYIKK-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303135;MM303135;CC(O)C(C)COC=NO;QDKNODGVPBJQQK-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303136;MM303136;C=CC1CC(C(C)C)C1=O;QDJFRKAPVKXRDX-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303137;MM303137;CC(COC=NO)C(F)F;JGDCOOKOZZLUPD-UHFFFAOYSA-N;153.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303138;MM303138;C=CC1CC(C(C)O)C1=O;DRNFFNVRDYXSDQ-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303139;MM303139;CC(O)C(N)COC=NO;PDJRJTQILBCMOC-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303140;MM303140;CC(=O)C=CCCC(N)=O;URTHKQVCHWJWLP-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303141;MM303141;CC(N)C(O)COC=NO;QVIVKCALOKQKOD-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303142;MM303142;C=CC1CN(C(C)C)C1=O;BSIINQATEIBXCK-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303143;MM303143;C#CCn1cc(F)c(N)n1;NVBKXZGSIVQRFV-UHFFFAOYSA-N;139.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303144;MM303144;CC(C)N1CC(C=O)C1=O;ZACOQDCLQKUETJ-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303145;MM303145;CC=NOCC(C)C(C)N;HEMXHJRJHNPUDY-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303146;MM303146;CC(C)N1CC(C#N)C1=O;DNFKVGFTUIVGCE-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303147;MM303147;CC=NOCC(N)C(C)C;FMMJOWYHIQFOBW-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303148;MM303148;CN(C)N1CC(C#N)C1=O;ACEGXYQAPZXOGZ-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303149;MM303149;CC=NOCC(N)C(C)O;ZXCIFVHUHGHXFK-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303150;MM303150;C#CC1CN(C(C)C)C1=O;WUFOLQLMSNURFD-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303151;MM303151;CC=NOCC(O)C(C)N;DFGZVZMMFNKNDD-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303152;MM303152;C=C(C)C1CC(CC)C1=O;ZLCMEWZIIGBGSA-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303153;MM303153;CC=NOCC(F)C(C)C;KDQXRDGHTSNASC-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303154;MM303154;C=C(C)C1CC(CO)C1=O;KYODHYLSFNHZMV-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303155;MM303155;CC=CCNC(C)C(C)C;UZWYZVBTEFEYGW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303156;MM303156;N=C(N)C1CC(CO)C1=O;XCSQPRHRAHDSQJ-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303157;MM303157;CC(C)C(C)NCC=CF;SUMKSGMWTOELAL-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303158;MM303158;C=C(C)N1CC(CN)C1=O;NWIQSNMOBRTWQT-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303159;MM303159;CC=CCNC(C)C(C)O;AVSZTGROWCRKLY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303160;MM303160;CC(=N)N1CC(CN)C1=O;SOCCAKHKERGIDF-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303161;MM303161;CC=CCNC(C)C(C)F;OKSOOHDBGFBPJI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303162;MM303162;C=CC1CC(C(=C)C)C1=O;ZETKVVQITDRTCZ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303163;MM303163;CC(C)C(C)NCC=NN;PHDSLFLPCOTEIT-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303164;MM303164;C=C(C)C1CC(C#N)C1=O;HVVVIGUIEDMLKT-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303165;MM303165;CC(C)C(C)NCC=NO;UATIPPNIMQKQMC-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303166;MM303166;C=CC1CC(C(=N)N)C1=O;IQWORDDHYKHWOP-UHFFFAOYSA-N;138.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303167;MM303167;CC(N)C(C)NCC=NO;UGAOZCQJVSCANY-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303168;MM303168;C=C(C)N1CC(C#N)C1=O;NYQXSJVVKBSGAT-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303169;MM303169;CN=CNNC(C)C(C)N;CKMXVAKXUNXYQN-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303170;MM303170;CC(=N)N1CC(C#N)C1=O;SPWBLUPNQSDKIW-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303171;MM303171;CC(N)C(C)OCC=CF;AIKWWWGGDPBIER-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303172;MM303172;C#CC1CC(C(=C)C)C1=O;JTCXOJIRTUXKCA-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303173;MM303173;CC(C)C(C)OCC=NN;UEXWBEMWYINKHX-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303174;MM303174;C#CC1CC(C(=N)N)C1=O;QGYZBMWDSCSCKH-UHFFFAOYSA-N;136.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303175;MM303175;CC(C)C(C)ON=CNN;UEGHESYOCHZJKZ-UHFFFAOYSA-N;145.21;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303176;MM303176;C#CC1CN(C(=C)C)C1=O;LYHXKMMXIRYEEX-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303177;MM303177;CC(N)C(C)ON=CNO;NOASVRVHAYCJKS-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303178;MM303178;CCC(=O)NC(C)C(C)C;RSIZVLXIFLNLGP-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303179;MM303179;CN=CNOC(C)C(C)O;HATMXAGLNQAKBU-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303180;MM303180;C#CC1CN(C(C)=O)C1=O;VEXKFVHECZOJEK-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303181;MM303181;CC#CC1=NC(C)C(=N)N1;ALYJJRANRRURSJ-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303182;MM303182;C#CC1CN(C(=N)N)C1=O;KLPPHQJICPFNRE-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303183;MM303183;CC(CCC=NN)N(C)C;FDIKZMHUYXSPEQ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303184;MM303184;CN(C=N)N=CCC(=O)O;MCCRVWOAIWBSTE-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303185;MM303185;CC(CCC=NO)N(C)C;IYHRRRCZGBRTLG-UHFFFAOYSA-N;144.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303186;MM303186;C=C(F)C(CC=O)C(=O)O;DVVYUQRMBUGYHN-UHFFFAOYSA-N;146.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303187;MM303187;CN=CNCC(C)N(C)C;LEHFNQKGGULCRT-UHFFFAOYSA-N;143.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303188;MM303188;O=CNOCCC(=O)O;UFDMOWKWZMIKKD-UHFFFAOYSA-N;133.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303189;MM303189;CC=COCC(C)N(C)C;UXZSMDFNRDPGOA-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303190;MM303190;O=C(O)COCCCF;DCUYWQOMWHHKNR-UHFFFAOYSA-N;136.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303191;MM303191;CC(COC=CF)N(C)C;PZIYDNYOUXHOJL-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303192;MM303192;COCC#CC=CC(=O)O;JOFDSCHFKNZSCA-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303193;MM303193;CC=CCCN(C)C(C)C;MZFHHXALEKEEEK-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303194;MM303194;Cn1cccnoc(=N)[nH]1;MBDVKJPGPZVSPK-UHFFFAOYSA-N;140.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303195;MM303195;CC(C)N(C)CCC=CF;JPWMXAOEKPMGLN-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303196;MM303196;Cn1cncnoc(=N)[nH]1;CLBSNHQYYKQNCE-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303197;MM303197;CC(C)N(C)CCC=NN;AFVZMXRSYFJAMK-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303198;MM303198;C#CCC(C)C(O)C(=O)O;GGXNMXRXXUBNRX-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303199;MM303199;CC(C)N(C)CCC=NO;SANBUSOWWKCPAB-UHFFFAOYSA-N;144.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303200;MM303200;Cn1nnc(=N)c(O)n1;IZDXLOMKALXZOE-UHFFFAOYSA-N;127.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303201;MM303201;C=C(C)C(C)CCC=CC;DGLDPPYAUCHLRP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303202;MM303202;Cn1cncn[nH]c(=O)o1;ZCBGAHKWCOKOBJ-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303203;MM303203;CC=CCCC(C)C(=N)N;OWMRVSZIRBXSSO-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303204;MM303204;C=c1cnnc[nH]c(=C)o1;NMMKBSLABYUIEX-UHFFFAOYSA-N;137.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303205;MM303205;CC(CCC=CF)C(=N)N;FZKQFZPIMWONCD-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303206;MM303206;C#CC(C)CC(O)C(=O)O;VBKRSCCRIAAFQP-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303207;MM303207;CN(CC1CN1C)C(N)=O;PDFZIHIKJYNFDV-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303208;MM303208;CC(C)CC1CC(C)N1C;HHDJIFNYMRAFRI-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303209;MM303209;C=C(C)C(N)CCC=CC;HGOBPJQYTJDMEQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303210;MM303210;CC(N)CC1CC(C)N1C;ZUWBBZXLOMHNKH-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303211;MM303211;C=C(C)C(N)CCC=CF;PVIKNMQZYCVSOG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303212;MM303212;CC1CC(CN(C)C)N1C;RZBBMRUTBVZRHT-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303213;MM303213;NC(=O)C(N)CCC=CF;FYHVFAYSGOURSB-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303214;MM303214;CC#CC#CC1CC(O)C1;OQBZGLUTAWXOPI-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303215;MM303215;C=CN(C)C=NC(=O)CF;SOBNFSBWMMBMCU-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303216;MM303216;CC#CC#CC1CC(F)C1;RKGQJQKDAKVUIJ-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303217;MM303217;C=CC(=O)NC(C=C)CC;CTJDAYGTZCMRGT-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303218;MM303218;CC#CC#CC1CC(=O)C1;GXAWWDULYLECNQ-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303219;MM303219;CC=CCCC(F)C(C)=O;UDHDWAJESPTEDP-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303220;MM303220;C#CC(F)C(O)CC(=O)O;ZSZOZQGGKXSXHV-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303221;MM303221;C=C(C)C(C)CCC=NN;CVNKSIOUKLTUBZ-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303222;MM303222;O=CC1(CO)CC1C(=O)O;STNHGTPSIXOFSW-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303223;MM303223;CC(=O)C(C)CCC=NO;GLKVQIIENJCVDS-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303224;MM303224;CC1(C)C2CC(N)C(N)C21;CTWROFSHTRVDEX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303225;MM303225;CC(CCC=NO)C(=N)N;AXUTZQNSUMCEQQ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303226;MM303226;CC1(C)C2CC(N)C(O)C21;OHFWAPIKJNAIAG-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303227;MM303227;C#CC1(C(C)C(N)=O)CN1;HVKPVSLUVRHJQG-UHFFFAOYSA-N;138.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303228;MM303228;CC1CC2C(C1F)C2(C)C;BYUMLSVKTXOQJF-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303229;MM303229;N#CC(=NO)C(C=O)CO;GGOYITCSSIDAPZ-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303230;MM303230;CC1CN2C(C1C)C2(C)C;GBVISLVRUBZSAC-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303231;MM303231;C=C(C)C(N)CCC=NO;NBAUZWJGMBREFL-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303232;MM303232;CC1CN2C(C1N)C2(C)C;QPZOGQXTJHFENM-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303233;MM303233;N=C(N)C(F)CCC=NO;DCADJMMANWSHDW-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303234;MM303234;CCCC(F)C=CC(N)=O;AVTCGGLDVZUMDG-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303235;MM303235;C=C(C)C(C)CN=CNN;QFXHODPWKPSHCL-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303236;MM303236;CN1C(=N)CC2C1C2(C)C;CAJMLWVPIQJLKT-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303237;MM303237;CN=CNCC(C)C(=N)N;YTOWOQPGRCZRPC-UHFFFAOYSA-N;142.21;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303238;MM303238;CN1C(=O)CC2C1C2(C)C;QLXDUCXNJOUYRR-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303239;MM303239;C=C(C)C(N)CNC=NC;CXXGRVUUHIZKPT-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303240;MM303240;CC1(C)C2CC(=N)N(N)C21;MDJLLODRLYLISQ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303241;MM303241;C=C(C)C(F)CN=CNN;PQQDILMYNOIKOQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303242;MM303242;CN1C(=N)CC2C1C2(C)N;JNTHCZXQYWYTSF-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303243;MM303243;C=C(F)C(F)CNC=NC;ANFVCPRIIRKPNE-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303244;MM303244;CN1C(=O)CC2C1C2(C)N;JZLQIBCQSHZHGE-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303245;MM303245;NC(=O)CCC1(C=O)CN1;AOUAPCHLXGCSQF-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303246;MM303246;CN1C(=N)CC2C1C2(C)O;HTFTUXFMHWQZAF-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303247;MM303247;CC=NNCC(N)C(=N)N;CEBFOZZHYUDCRI-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303248;MM303248;CN1C(=O)CC2C1C2(C)O;MPMHOACKPCWGOS-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303249;MM303249;C=CC=CC(=O)NCC=C;GGDJJXIBPVLBFC-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303250;MM303250;CN1C(=N)CC2C1C2(C)F;FIZYXESKYIAMIT-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303251;MM303251;CC=NNCC(O)C(=N)N;JAMJXQWVNOCECJ-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303252;MM303252;CN1C(=O)CC2C1C2(C)F;BMQPYSMOTDGKIJ-UHFFFAOYSA-N;143.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303253;MM303253;C#CC(C)=CCCNC=O;HSPPOSRLJUQFIK-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303254;MM303254;C=C(CCC(N)=O)C(C)=O;VGTKYCPUJHATPZ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303255;MM303255;C=C(C)C(C)COC=CC;SURYQYCLRCCGFI-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303256;MM303256;C=C1CN2C(C1N)C2(C)C;GMGMOIPZAZLVSV-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303257;MM303257;CC=COCC(C)C(C)=O;UJKXCTMSXPHZLP-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303258;MM303258;CN1C(=N)CC2N1C2(C)C;JEGPPQCEXFJGRQ-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303259;MM303259;CC=COCC(C)C(=N)N;STGHJQJNHQWZEY-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303260;MM303260;C=C1C(C)CC2C1C2(C)C;OCRLTXOEFGFESG-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303261;MM303261;CC(COC=CF)C(=N)N;GEKUWPNVDQMZAV-UHFFFAOYSA-N;146.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303262;MM303262;C=C1C(N)CC2C1C2(C)C;ZEFKESJGKBJOKG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303263;MM303263;CC=COCC(C)C(N)=O;YNVDXJJEFMSKHV-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303264;MM303264;C=C(C=O)CCCC(N)=O;VTQNVKDARKFVHH-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303265;MM303265;O=Cn1ncc(O)c1O;KFDHIFIWVQQLLQ-UHFFFAOYSA-N;128.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303266;MM303266;CC1CC2C(C1=O)C2(C)C;WJUCTIQYIHYWRQ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303267;MM303267;C=C(C)C(N)COC=CC;ORLKNRVCZNNVOA-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303268;MM303268;C=C1C(N)CC2C1C2(C)N;JGCGVUQZPNQESH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303269;MM303269;N=C(N)C(N)COC=CF;LMFSWTVBZMLVFZ-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303270;MM303270;C=C1C(O)CC2C1C2(C)N;AKJWSZHTKXZFGL-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303271;MM303271;C=C(C)C(O)COC=CC;UDWHKGZKJWKDJA-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303272;MM303272;C=CC(=O)CCCC(N)=O;PJUFLZVSBAPPKA-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303273;MM303273;C=C(C)C(O)COC=CF;CGSJOGVAMWUALH-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303274;MM303274;CC1CC2C(C1=O)C2(C)O;CTAIIVYDBJYEDP-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303275;MM303275;CC=COCC(O)C(=N)N;QWKVLRMRNOAJFB-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303276;MM303276;C=C1C(C)CC2C1C2(C)F;USHQRMYANZIUGI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303277;MM303277;N=C(N)C(O)COC=CF;HAWAJHIOIADMJL-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303278;MM303278;C=C1C(N)CC2C1C2(C)F;USYZJZDYWONXNL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303279;MM303279;CC=COCC(O)C(N)=O;CEGZAHIMBHTLFB-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303280;MM303280;C=C1C(O)CC2C1C2(C)F;VMHBGBNMWSWYQS-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303281;MM303281;NC(=O)C(O)COC=CF;MJTPIKORPVEJQE-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303282;MM303282;C=C1C(F)CC2C1C2(C)F;IFESEFNJWZQGNI-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303283;MM303283;CC=COCC(F)C(N)=O;HYWUANWNPUUGCO-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303284;MM303284;CC1CC2C(C1=O)C2(C)F;YUDIZLSDTXYAJU-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303285;MM303285;NC(=O)C(F)COC=CF;DSXGAJIEQQXWLA-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303286;MM303286;C=C1C(C)NC2C1C2(C)N;QUHSBHCWCUBYHA-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303287;MM303287;C#CCC(=CC)CNC=O;KCJCYROEFXDZLX-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303288;MM303288;CN1CC2C(C1=N)C2(C)C;RIUNJONBCRKOPL-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303289;MM303289;C=C(C)C(C)COC=NO;BRAFRUVBQJFEEX-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303290;MM303290;CN1CC2N(C1=N)C2(C)C;DCSKUYQKCTXLNB-UHFFFAOYSA-N;139.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303291;MM303291;N=C(N)C(O)COC=NN;ZAFZKUVUZDOGME-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303292;MM303292;CC1(C)C2CN(N)C(=N)N21;FRIRRKWJBWDZEC-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303293;MM303293;N=C(N)C(O)COC=NO;FZDFONITRYRCNI-UHFFFAOYSA-N;147.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303294;MM303294;C#CC(=CC)CCNC=O;SLMNAWYDNQJTLT-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303295;MM303295;CC1(C)C2CN(O)C(=N)N21;FUYMDBLRROGPPR-UHFFFAOYSA-N;141.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303296;MM303296;Nc1nn(C=O)cc1O;YHIMNACKXKPHIA-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303297;MM303297;CN1CC2N(C1=O)C2(C)C;JHSOPZYSJRGMJP-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303298;MM303298;COc1n[nH]c(O)c1O;WPWIFUQLKBZDEZ-UHFFFAOYSA-N;130.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303299;MM303299;CC1(C)C2CN(N)C(=O)N21;KWUVIMVUNVKUPR-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303300;MM303300;CN(CCN1CC1)C(N)=O;PZALUEVZVCMBPC-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303301;MM303301;C=C1CC2C(C1=C)C2(C)C;NPBSLKLKBQVFMM-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303302;MM303302;CC(=O)C(F)COC=NO;LTIKHPMCNSLEOT-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303303;MM303303;C=C1C(=O)CC2C1C2(C)C;JTARKKXNIYHHSD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303304;MM303304;C=C(C)C(C)CON=CC;ZWLISNFQIKRZJA-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303305;MM303305;C=C1CC2C(C1=O)C2(C)C;MJEZMKVKMPKLOC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303306;MM303306;CC(=NO)C(O)CC(=O)O;SQAAUDBLASKSHJ-UHFFFAOYSA-N;147.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303307;MM303307;C=C1CC2C(C1=C)C2(C)N;AZJYYNDEAYKQMJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303308;MM303308;C=C(C)C(N)CON=CC;KUMDKUNUWVDZAH-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303309;MM303309;CC(=CCCC(N)=O)CF;JDXZRCQCOWNGFL-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303310;MM303310;CC=NOCC(N)C(=N)N;YALRCDDKEJYSKL-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303311;MM303311;C=C1CC2C(C1=O)C2(C)O;JANNEEHDRDDUPZ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303312;MM303312;O=CNCCCC=CCF;CFJNHRXBEQNVMW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303313;MM303313;C=C1CC2C(C1=C)C2(C)F;TWEAWMFYSYARTO-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303314;MM303314;O=CNCCC=CCCF;WNLTWDNJKDMBQN-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303315;MM303315;C=C1CC2N(C1=N)C2(C)C;BGAQLLJEEZDJDA-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303316;MM303316;CC=NOCC(O)C(=N)N;ZWUNRHWRIGALGM-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303317;MM303317;CC(C=O)=CCCC(N)=O;MWIHAHNHYXBOBZ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303318;MM303318;Nc1cc[nH]n1;JVVRJMXHNUAPHW-UHFFFAOYSA-N;83.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303319;MM303319;C=C1CC2N(C1=O)C2(C)C;SHJBDEFOVXAFOL-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303320;MM303320;COC(C=NO)CC(=O)O;WBRVVWULNMNWBL-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303321;MM303321;CC1(C)C2CC(=O)C(=O)N21;LNOVJIQVTMIFBZ-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303322;MM303322;C=CC(C=C)NC=O;GMBZEVWJZDGGAC-UHFFFAOYSA-N;111.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303323;MM303323;CC1(F)C2CC3(F)CC3C21;KBTRHGMPRNJRSV-UHFFFAOYSA-N;144.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303324;MM303324;C=C(C)C(F)CON=CC;UVJSKEHVZHZMDD-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303325;MM303325;CC12CC1N1C(C2)C1(C)C;QWWMMMOBSCFGME-UHFFFAOYSA-N;137.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303326;MM303326;Nc1cnc(CF)o1;FVHSKQFTMADXBE-UHFFFAOYSA-N;116.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303327;MM303327;CC1(C)C2CC3(N)CC3N21;MSPAPURIRYCQCN-UHFFFAOYSA-N;138.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303328;MM303328;C=C(C)C(C)NCC=CC;GBGWLSJHRCRUFF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303329;MM303329;CCCC(=CC(N)=O)CF;DCGFYOKVJFBWTJ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303330;MM303330;C=C(C)C(C)NCC=CF;RXFYGJATUBXMIW-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303331;MM303331;CC1C2C3CC3(C)CC12C;ZIPIUEHPDCDWJF-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303332;MM303332;CC=CCNC(C)C(=N)N;TVPLJCNJVPWXLJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303333;MM303333;CC12CC1C1C(N)C1(N)C2;RNOKOEYDHABIAC-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303334;MM303334;CC(NCC=NN)C(=N)N;TWHBDAGLCSZXGC-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303335;MM303335;NC1C2C3CC3(N)CC12N;RKRMURYBTYCAKR-UHFFFAOYSA-N;139.2;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303336;MM303336;C=C(C)C(C)NNC=NC;JUWQDPAQUHNISL-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303337;MM303337;CC12CC1C1C(N)C1(O)C2;HHLAZSKLFGLZKK-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303338;MM303338;CN=CNNC(C)C(C)=O;JWXIQXOPKGIAJU-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303339;MM303339;NC1C2C3CC3(N)CC12O;HJHVMGSXNANBHL-UHFFFAOYSA-N;140.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303340;MM303340;CC(NN=CNO)C(=N)N;XLCXCSVJMQAOSS-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303341;MM303341;NC12CC1C1C(O)C1(O)C2;VXCQLLXAPJQCLU-UHFFFAOYSA-N;141.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303342;MM303342;C=C(F)C(C)NNC=NC;BKDZAGHDQQRGPG-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303343;MM303343;CC1C2C3CC3(O)CC12O;NDHNRCIJXGCXJQ-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303344;MM303344;C=C(C)C(C)OCC=CC;BJRQRJOQUHHNQR-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303345;MM303345;CC1C2C3CC3(F)CC12O;SBJOGBKMQJQOBQ-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303346;MM303346;CC(=O)C(C)OCC=CF;VFHDPTJNOVDELJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303347;MM303347;CC(OCC=NO)C(=N)N;NETSFWAYCLGHAU-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303348;MM303348;CC1C2C3CC3(C)CC12F;HWGDZKRVFYITSL-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303349;MM303349;C=CC(C)NC(=O)CC;YRPMQVFPBYDCET-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303350;MM303350;NC1C2C3CC3(N)CC12F;AWWRCRVJVKOCNF-UHFFFAOYSA-N;142.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303351;MM303351;CC(ON=CNN)C(=N)N;JWKVZZATUZVKSY-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303352;MM303352;CC1C2C3CC3(O)CC12F;WZBIJJLMDZAISD-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303353;MM303353;CC(ON=CNO)C(=N)N;IQLCNPCUIXXLDR-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303354;MM303354;CC1C2C3CC3(F)CC12F;DPUWQPBAYAIUHN-UHFFFAOYSA-N;144.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303355;MM303355;CN=C(CC(=O)O)NC=O;DFFNXFBQLNOPAP-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303356;MM303356;CC12CC3(C)C(O)C3C1O2;KSHBRXVMVXXHPJ-UHFFFAOYSA-N;140.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303357;MM303357;C=C(F)C(C)ON=CNN;PJHCMTOVONSOOH-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303358;MM303358;CC1C2C3OC3(C)CC12O;DPSLOIFIBNUMPB-UHFFFAOYSA-N;140.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303359;MM303359;CC(=N)N(C)CCC=CF;BWHFVCGIZJUCOV-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303360;MM303360;CN1C2C3CC3(C)CC21C;NUOPVQIOQABGFF-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303361;MM303361;CC=CCCN(C)C(C)=O;WFIZQFCAUIIGRG-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303362;MM303362;CN1C2C3CC3(N)CC21C;ZDKZMRLTNVDTKH-UHFFFAOYSA-N;138.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303363;MM303363;CC=CCCN(C)C(=N)N;RKBHQUXLKZPFSN-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303364;MM303364;C=CC(CC(N)=O)C(C)F;FHSVRDUVTXTGGU-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303365;MM303365;CC=CCCN(N)C(C)=O;NKLCYTPTUHGPHV-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303366;MM303366;CC12CN1C1C(O)C1(N)C2;DTDJMZBCFZXYHA-UHFFFAOYSA-N;140.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303367;MM303367;CC=CCCN(N)C(=N)N;VYRCDNFYHCTJSQ-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303368;MM303368;CCCC(CCN)CCF;QJIQMKLPGJNJDM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303369;MM303369;CN(CCC=NO)C(N)=O;ZPZBXVUAKXTYMW-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303370;MM303370;NCCC(CCO)CCF;DEQQQVYTRPAUQR-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303371;MM303371;N=C(N)N(N)CCC=NN;RLRHBEUEDJJIOK-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303372;MM303372;NCCC(CCF)CCF;KABIOHFZXFRPIT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303373;MM303373;C=CC(=CC(N)=O)CF;UZGHGLQXSIIUAM-UHFFFAOYSA-N;129.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303374;MM303374;NC(=O)CCCC=CC=O;CPUBFOOESAFDLH-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303375;MM303375;CC=CCNN(C)C(C)=O;NXVVKLDEUNRMNA-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303376;MM303376;FCCC(CCF)CCF;KZYBNLBFYYOBAZ-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303377;MM303377;CC(=O)N(C)NCC=CF;VTHCUHDNZHPIPV-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303378;MM303378;CCCC(CNC)CNC;NJZIHNIPISBNKX-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303379;MM303379;COC(N)=C(C)C(N)=O;BADKOHDGFGOCGR-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303380;MM303380;CNCC(CCN)CNC;MYWMWRFEJQQITF-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303381;MM303381;CC(C)N1C=NC(=N)C1;MHVFZXHEKWHBMK-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303382;MM303382;COCC(CCN)COC;LCTRBSDENVTSSH-UHFFFAOYSA-N;147.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303383;MM303383;CC=CCON(C)C(C)=N;RQYFIJLQXFTJQF-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303384;MM303384;CCCC(CCF)NCC;LZFQILUTVZGGTJ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303385;MM303385;CC=CCON(C)C(C)=O;DCFMDEBDAWTFSJ-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303386;MM303386;CCNC(CCF)CCF;UTTSAFREMKBHQT-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303387;MM303387;CC=CCON(C)C(N)=O;ZMGAKUZUJMXSID-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303388;MM303388;CCCC(CNC)NCC;HZQUJGYAXUCOQK-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303389;MM303389;CN(OCC=NN)C(=N)N;ZRTHBXSMMRAIBG-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303390;MM303390;CCOC(CCO)CCO;AKVUAFHTLBUJQF-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303391;MM303391;C=NNC1CC1C(N)=O;CHCUPONURYPRHQ-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303392;MM303392;CCOC(CNC)CNC;BFOBHFHLEYATME-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303393;MM303393;C=C(CCC=CC)C(C)C;XWEOGPZAXYKMQI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303394;MM303394;CCCN(CCN)CCO;YMBZTLNBWIBYHR-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303395;MM303395;C=C(CCC=CC)C(C)N;HGZATIPOKLLFEF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303396;MM303396;NCCN(CCF)CCF;CDBTXULBYNPUDM-UHFFFAOYSA-N;152.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303397;MM303397;C=C(CCC=CF)C(C)N;ZYZDLUPBZWOCAW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303398;MM303398;OCCN(CCO)CCO;GSEJCLTVZPLZKY-UHFFFAOYSA-N;149.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303399;MM303399;C=CC1C(=O)C(C)N1C;PSBBIQIXRZNONR-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303400;MM303400;C=CC=CCCNC(C)=O;BXXOSUJLKJQKCE-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303401;MM303401;CCCNC(=O)C1CC1;ATADNMCXCXUSOW-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303402;MM303402;C=CCC(CCN)CCO;VDJCQTQAVXCVMC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303403;MM303403;C=C(CCC=CC)C(C)F;VNOJQZDJFWYGIZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303404;MM303404;C=CCC(CCN)CCF;SAHKXTPBCBKNAD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303405;MM303405;CC=CCCC(=O)C(C)C;AMYFKLPYAVARPP-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303406;MM303406;O=CCC(CCF)CCF;SPTGCCCPWXONAE-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303407;MM303407;CC(C)C(=O)CCC=CF;QMMUXYFVSKXXPY-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303408;MM303408;C=CCC(CCN)CNC;DSHZKOFBNGGIRR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303409;MM303409;CC=CCCC(=O)C(C)O;SJLXGDDTSKBRPD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303410;MM303410;C=CCC(CCO)CNC;HUXJFIUTDOIJMK-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303411;MM303411;CC=CC(C)(C)NC(C)=O;MQZBKTAFUMJDMX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303412;MM303412;C=CCC(CCF)CNC;ALMRWLJOFBHKPZ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303413;MM303413;C=C(CCC=NO)C(C)O;OPGQQDQIYQASOI-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303414;MM303414;C=CCC(CNC)CNC;QLAXYODZCGIAFB-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303415;MM303415;CC(C)C(=O)CCC=NO;PCYXCQZCBFXFAB-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303416;MM303416;CCCC(CCO)NC=N;NMDUYDXBHHYRQN-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303417;MM303417;C=C(CNC=NC)C(C)C;RJJTTYWFVDJKKZ-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303418;MM303418;N=CNC(CCN)CCN;JYIKFMWUAIGELV-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303419;MM303419;C=C(CN=CNN)C(C)C;SIQJJOORLOOPDT-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303420;MM303420;N=CNC(CCF)CCF;IKVJVGMJESZFIQ-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303421;MM303421;C=C(CNC=NC)C(C)N;DBPSHFPNYPITDS-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303422;MM303422;C=NNC(CCN)CCN;RCSIJYKJVMOVMH-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303423;MM303423;C=C(CNC=NC)C(C)O;FRSLQOQZQJTFLB-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303424;MM303424;O=COCON=CC(F)F;SJLXEVNXZSDPLX-UHFFFAOYSA-N;153.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303425;MM303425;C=C(CN=CNN)C(C)O;TZRBWPCOUJVIKW-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303426;MM303426;CNCC(CCO)NC=N;INHBTTRXTCUPIB-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303427;MM303427;CN=CNCC(=O)C(C)C;SDAFQONKMQIGFD-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303428;MM303428;C=NNC(CCN)CNC;ZVFZOIIHDKNRSK-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303429;MM303429;CN=CNCC(=O)C(C)F;JIVJTGXUIYIEAN-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303430;MM303430;C=NNC(CCF)CNC;JHAIZTUNYIECIG-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303431;MM303431;C=CC(=O)NC(C)C=CC;KLGFSXMDMIPGJL-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303432;MM303432;C=NNC(CNC)CNC;XCSKTFLVCXIEIE-UHFFFAOYSA-N;144.22;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303433;MM303433;CC=C(F)C(C)=CC(N)=O;AOIMFPRDYVVKQK-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303434;MM303434;CNCC(COC)NC=N;NAHVIWIRKXUQFS-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303435;MM303435;C#CC(C=C)=C(C)C(N)=O;ZWVMUIJJTAAETK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303436;MM303436;COCC(COC)NC=N;VDRVIKOSQQQYGS-UHFFFAOYSA-N;146.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303437;MM303437;C=C(COC=CF)C(C)C;ACYJLURFWMQZDO-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303438;MM303438;C=COC(CCO)CCO;OPQPYMAHOHLZKE-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303439;MM303439;C=C(COC=CC)C(C)N;KUGKVZGLMZIJBL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303440;MM303440;O=COC(CCO)CCF;IELRJHRYCNXOMV-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303441;MM303441;C=C(COC=CC)C(C)O;BFPFISWOFSEJTE-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303442;MM303442;C=NOC(CCN)CCF;RVHYITIZKUFJPU-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303443;MM303443;C=C(COC=CF)C(C)O;FWOBWZSGPHVNTL-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303444;MM303444;C=NOC(CCF)CCF;ONFYARFOJJSTLT-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303445;MM303445;C=C(COC=CC)C(C)F;GANKNRNBMCQZIW-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303446;MM303446;C=COC(CCN)COC;OVMLQMKKEUKCOU-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303447;MM303447;CC=COCC(=O)C(C)C;YZRWFZLYNWNHSF-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303448;MM303448;C=NOC(COC)COC;ZGQJJRWHBJNSSB-UHFFFAOYSA-N;147.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303449;MM303449;CC(C)C(=O)COC=CF;XEOCADZDZKVCFB-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303450;MM303450;C=CCC(CCF)NCC;MWFVUBLOTSMZOV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303451;MM303451;CC(F)C(=O)COC=CF;QAPIFPNBYOMCJY-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303452;MM303452;CCNC(CC=O)CCF;OAMMXDOIXQKZBK-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303453;MM303453;CC(O)C(=O)COC=NO;WLSOVOLTOGHYSR-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303454;MM303454;C=CCC(CNC)NCC;GHVRKLYAPOTKAN-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303455;MM303455;CC=NOCC(F)C(C)=O;KRAFMMQZBOKEJS-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303456;MM303456;C=CCN(CCN)CCF;JJCJLRVOTABKCO-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303457;MM303457;C=C(CCC=CF)C(N)=O;CSMFBJXPNSOOOE-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303458;MM303458;C=NOCON=CC(F)F;UTYPIMHNSIBAJU-UHFFFAOYSA-N;152.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303459;MM303459;CC=CCNC(=N)C(C)C;LRJZWAMGJSKHNT-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303460;MM303460;CCCN(CCC)NC=N;PIUOJUWFWFBARI-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303461;MM303461;C=C(C=CC#CC)C(N)=O;CHRNKBSBOZIZLE-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303462;MM303462;CCCN(CCF)NC=N;KKKIMIHULPCHMQ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303463;MM303463;CC(N)C(=N)NCC=NO;JZAYOCXPNFUXGR-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303464;MM303464;C#CCC(CCN)CCF;GUBQBPYZTJCRKI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303465;MM303465;CC(O)C(=N)NCC=NN;HIRNAMXZZTZPNO-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303466;MM303466;C#CCC(CCF)CCF;OOHIFGBSSRAPEG-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303467;MM303467;CC(O)C(=N)NCC=NO;WXWKCDVDMBADCQ-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303468;MM303468;C#CCC(CCF)CNC;XLARWZNLFOBJTM-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303469;MM303469;CC(O)C(=O)NCC=NO;SIALNTVUJPWPJL-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303470;MM303470;C#CCC(CNC)CNC;SZXXJSFLMPCNAV-UHFFFAOYSA-N;140.23;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303471;MM303471;CCNC(=O)CC1CN1C;BQDAYUQVXBBWDT-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303472;MM303472;C#CCC(CCF)NCC;QUDDMERDFSCELI-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303473;MM303473;CC(F)C(=O)NCC=NO;NVFXSTHQQLFZLV-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303474;MM303474;C#CCC(CNC)NCC;JEVLFWBIRDPHFO-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303475;MM303475;C#CCC(OCC)OCC;YIUIBFPHUMLIBP-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303476;MM303476;CC(C)C(=N)NNC=NN;VIKKEYDJPIGPIG-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303477;MM303477;C#CCN(CCC)CCO;QUBBITNNUZVLGT-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303478;MM303478;C#CC(=N)N(C)C(=O)CF;IJZREQQTRNRAGP-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303479;MM303479;C=CC(CC)N(C)C(N)=O;IDKHLIUIAIWJMX-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303480;MM303480;C#CC=CC(C)CNC=O;FXVFUUCYWSOVDR-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303481;MM303481;C=CCC(CC=O)CCF;IOEZMWKQMSBHHV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303482;MM303482;C=NNCCCC(=O)NC;MZYQMJHJNHZTRY-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303483;MM303483;C=CCC(CC=O)CNC;RTDAKMORPRDSQN-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303484;MM303484;CC(F)C(=O)NN=CNO;MHDGUZWSGXNEMS-UHFFFAOYSA-N;149.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303485;MM303485;N#CCC(CCO)NC=N;RFAPZTSPZDVAQY-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303486;MM303486;CNC(=O)CCCC=NN;IXZCYMRUQKNKOI-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303487;MM303487;N#CCC(CCO)NC=O;SARSWMVVHVFPFQ-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303488;MM303488;CC(F)C(=N)NOC=NO;BUYCOPBPBJXKHV-UHFFFAOYSA-N;149.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303489;MM303489;C=CCC(CCF)NC=N;GLJSARFZQWDMTF-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303490;MM303490;CC(C)C(=O)NOC=NN;DQEZGLWPQZBDLN-UHFFFAOYSA-N;145.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303491;MM303491;C=C(F)C(F)C(=NN)NN;GKAJNQNJZYYYNH-UHFFFAOYSA-N;150.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303492;MM303492;CC(O)C(=O)NOC=NN;AIRGSRQZERRWPS-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303493;MM303493;N=CNC(CC=O)CCF;KJGPQHUTODXRTR-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303494;MM303494;N#Cc1cnn(C=N)c1O;JCWDPKMCZXXYDR-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303495;MM303495;C=CCC(CCC)NN=C;IDKNTVWCIDETNW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303496;MM303496;CC(F)C(=O)NOC=NN;HACFFLWHYZLDRQ-UHFFFAOYSA-N;149.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303497;MM303497;C=CCC(CNC)NC=N;UEVWFHFBLLBKTP-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303498;MM303498;CC=CC1=NC(=CO)C=N1;SEPKMISKEKAWAY-UHFFFAOYSA-N;136.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303499;MM303499;C=CCC(CNC)NC=O;YIIMUOXYGVYGLD-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303500;MM303500;CC(F)C(=O)OCC=CF;LTJALAKMYLXNNX-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303501;MM303501;C=COC(CCO)OC=C;RNKNEBZDZSGYLU-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303502;MM303502;C#CCCC=CC(=O)NC;GZNYQAVNZLBLEU-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303503;MM303503;C=COC(CNC)OC=C;BMKCGTFQZDAVJN-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303504;MM303504;CC(F)C(=O)OCC=NN;BKULSJPLLSHLKF-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303505;MM303505;C=COC(COC)OC=C;XVFQLVGMICWGLL-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303506;MM303506;CC(C=CC=CCO)=NN;FPIJXLDTAZBTLX-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303507;MM303507;C=NOC(COC)OC=O;SJJFRPFGGVGPCV-UHFFFAOYSA-N;147.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303508;MM303508;C#CC1(C)C(CC=O)N1C;HELWVTJWGHOJSS-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303509;MM303509;C=CCN(CC=C)CCN;CHWMPPNDIBLYMB-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303510;MM303510;C=COC(C=C)CNC=O;BICOBUBDGXCCCT-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303511;MM303511;C=C(C(=O)NCC)C(C)C;CXTGKZAJSNVWFU-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303512;MM303512;CC=CCCC(=N)N(C)C;YETMFIXXBHYCMO-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303513;MM303513;CCCN(CC#N)NC=N;YRDVKPBSQQGUPB-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303514;MM303514;CC=CCCC(=O)N(C)C;DGYIQOXZAYJKSU-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303515;MM303515;N#CCN(CCO)NC=N;QHEGJLVNVBZQPP-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303516;MM303516;CN(N)C(=N)CCC=NO;AJAXOSAZEUKSKF-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303517;MM303517;N#CCN(CCO)NC=O;DFJQFQGJTHCVKQ-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303518;MM303518;CN(O)C(=N)CCC=NO;ZFPBRTPGEFOKRJ-UHFFFAOYSA-N;145.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303519;MM303519;C#CCC(CC=O)CCF;BUXLIUWZMRVNQN-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303520;MM303520;CN(C)C(=N)CN=CNN;FCWDLHPHMSTRPU-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303521;MM303521;C#CCC(CC=C)CNC;PIUAQCBQTDMFIT-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303522;MM303522;CN(C)C(=N)CN=CNO;DHHFONISRYHFAY-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303523;MM303523;C#CCC(CCO)NC=O;KWQBYKBBTXJYNE-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303524;MM303524;CN(N)C(=N)CNC=NN;QSBZEXPXMVDWIB-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303525;MM303525;C#CCC(CCC)NN=C;DZSOXTGZPONPLI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303526;MM303526;CC=NNCC(=N)N(C)N;ZYONYXNQRNTQDN-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303527;MM303527;C#CCC(COC)NC=O;BKNUMDYNJGYUCU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303528;MM303528;CC=NNCC(=O)N(C)O;CIAZAZAWZQQISW-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303529;MM303529;C#CCC(CCN)ON=C;ICVOPEDMGQSZNR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303530;MM303530;CN(N)C(=N)COC=CF;JFQHNJUMLYEYQW-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303531;MM303531;CN(C)C(=N)COC=NN;RUZUAGAEFCGICS-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303532;MM303532;C#CCC(CC=O)NCC;IXLDNKRZHHGHTA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303533;MM303533;CN(C)C(=N)COC=NO;OYGAYSQOYNNMNG-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303534;MM303534;C#CCC(OC=C)OCC;CLTGUFMOWLAJRV-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303535;MM303535;C=C(C)C(=CN)C(=O)NC;YZNAEZKKKCUMJI-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303536;MM303536;C#CCN(CC=C)CCC;PCNISMLNDKUYQJ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303537;MM303537;CN(C)C(C=O)=NCC=O;NNFFEDFZZYBYNL-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303538;MM303538;C#CCN(CC=C)CCN;BNFFEJQRPCVIOQ-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303539;MM303539;CC=CCNC(=N)N(C)C;WJQXDFSSYXSSPJ-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303540;MM303540;CC=CC(C)N(C)C(N)=O;GKEBZVKXBYQBKV-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303541;MM303541;CN(C)C(=O)NCC=CF;KSEKGUFDCDSETE-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303542;MM303542;C#CCC(CC#C)CCN;DNFPDBFJTNEYDB-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303543;MM303543;C=NN1CC1C(=O)C(C)=O;TZYFCZCQFQLJOS-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303544;MM303544;C#CCN(CC#C)CCN;JTZYYAIBFIXBCV-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303545;MM303545;CN(C)C(=N)NCC=NN;IYRLYSPIXWPZRI-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303546;MM303546;C=CCC(CC=O)CC=O;YKSNEKWMQBTUAO-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303547;MM303547;CN(C)C(=N)NCC=NO;KFKKXIUTLBWRDM-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303548;MM303548;N#CCC(CC#N)CC#N;VBGAROTWEFKCMZ-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303549;MM303549;CN(N)C(=N)NCC=NN;GQNFYBYTQKMKSE-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303550;MM303550;N#CCC(CC=O)NC=N;CSJRAXSAKFXNIM-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303551;MM303551;CN(N)C(=N)NCC=NO;IMWDPQCJUATLRK-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303552;MM303552;C=NOC(CC=O)C(C)C;NDVMVSMUYHMQAW-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303553;MM303553;CN(O)C(=N)NCC=NN;MGNNNDTVJLLKOJ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303554;MM303554;C=NOC(CC#N)CC#N;SPRXXXQQVUYXSE-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303555;MM303555;CN(O)C(=N)NCC=NO;UZULEDIYTKAQML-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303556;MM303556;C=COC(CC#N)OC=C;HEOISCSFBOAINN-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303557;MM303557;CN(C)C(=O)NCC=NO;NEBWKRZYBSJRRU-UHFFFAOYSA-N;145.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303558;MM303558;C=CCN(CC=C)NC=O;XQHYEMJAHGCIIU-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303559;MM303559;CCNC(=O)CCN1CC1;YJODMBCICSWWBH-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303560;MM303560;N#CCN(CC=O)NC=N;KMUBRKPWYBBYPN-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303561;MM303561;CN(N)C(=O)NCC=NO;KJBIZCVVJXJBAE-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303562;MM303562;N#CCN(CC=O)NC=O;OKOUHLUTBNTTRA-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303563;MM303563;CN(O)C(=O)NCC=NN;VFQYMPPJDWVNFM-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303564;MM303564;N#CCN(CC#N)NC=O;FUCRRDIGCMGXCV-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303565;MM303565;CN(O)C(=O)NCC=NO;JDDXGHLNOOJHMC-UHFFFAOYSA-N;147.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303566;MM303566;C#CCC(CC#N)CC#N;IZZVEPGYJYZFPN-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303567;MM303567;CN=CNNC(=N)N(C)N;WJAMDFDOBWBMLY-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303568;MM303568;C=CCN(CCC)C(N)=O;FQFAVQDBYNARGB-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303569;MM303569;CN=CNNC(=O)N(C)N;UPYGZZSAYVIKLJ-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303570;MM303570;C#CCC(CC=O)OC=O;ZIBCLWNICMULGO-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303571;MM303571;CN=CNNC(=O)N(C)O;ODUUOHLZUZRXKQ-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303572;MM303572;C#CCC(CC#N)OC=O;ZTHFSHILRVPWKV-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303573;MM303573;CN(C)C(=N)NOC=NN;CESMYQPJAOEESQ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303574;MM303574;C#CCC(OC=C)OC=C;BZIOYXTZVDMGGF-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303575;MM303575;CN(C)C(=O)NOC=NN;CCWDPGAISVDRGP-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303576;MM303576;CCC(=O)NC(CC)CC;FHUGOXNRRHISFI-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303577;MM303577;CN(C)C(=O)NOC=NO;BTMGZPADEXRUBA-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303578;MM303578;C#CCN(CC=C)NC=O;PTVRQZHDXOKUFK-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303579;MM303579;NN=CCC=CC=CCO;SVKUWDZXXRZRCY-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303580;MM303580;C#CCN(CC=O)NC=N;DWXGPDJSOBOWKG-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303581;MM303581;CN(N)C(=O)NOC=NO;MVOINPWDTMCKFW-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303582;MM303582;C#CCN(CC#N)NC=N;DFMFBPIWEMJRPE-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303583;MM303583;NN=COC=CC=CCO;QYCPNFXIYUINLS-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303584;MM303584;C#CCC(CC#C)NC=N;KANXXYKIEVTXMO-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303585;MM303585;Cn1cc(F)c(N)n1;RNJOFCSXDPWONK-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303586;MM303586;C#CCC(CC#C)NC=O;JFKKJYULYHUGMP-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303587;MM303587;C#CCN(CC#C)NC=O;KRJTUTLLWWIIDI-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303588;MM303588;CCc1cc(N)n[nH]1;AXDGPQLEVYSXNL-UHFFFAOYSA-N;111.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303589;MM303589;CCCC(C=CF)CCN;ACSBQOWFOJCCJX-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303590;MM303590;CCOCCNC=O;FRLCQIRNLBDGNF-UHFFFAOYSA-N;117.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303591;MM303591;CC=CC(CCN)CCN;UEVOLRSPQCNZQW-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303592;MM303592;C=C(C)C(=C)CCC=CC;IOLQFHNLVPYVEL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303593;MM303593;CC=CC(CCN)CCF;SQVQLPDKENCPIU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303594;MM303594;C=C(CCC=CC)C(C)=O;BCBFONZFAXGTQK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303595;MM303595;NCCC(C=CF)CCF;XYMRZGHEPXDCNG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303596;MM303596;C=C(CCC=CC)C(=N)N;GFUYWLKQKYLETJ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303597;MM303597;CC=C(CF)CCC(N)=O;RXFGBBFXSUYRQD-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303598;MM303598;CC=NN1CC1C=O;RENLRJBQUQGDSM-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303599;MM303599;C=CC(C)=C(C)C(=O)NC;BUUKQFZTUOXJIW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303600;MM303600;C=NOC(C)CC(N)=O;YRLLOGUCKAKDMB-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303601;MM303601;CC=CC(CCF)CCF;UUVZNMBLGJSZAU-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303602;MM303602;C=C(CCC=CC)C(=O)O;GYHGIEGYJUVBEM-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303603;MM303603;FC=CC(CCF)CCF;ILQQDZUPLRWSKS-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303604;MM303604;C=C(C)C(=O)CCC=CC;RSUDPORLGVMMLS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303605;MM303605;NCCC(C=NO)CCO;QCUWJSFLWGFHNF-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303606;MM303606;C=C(C)C(=O)CCC=CF;GCPXMENWNXRLCB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303607;MM303607;NN=CC(CCF)CCF;QXUOXLLPRPFMTP-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303608;MM303608;CC(=O)C(=O)CCC=CF;YPIJJNLMFYTUNA-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303609;MM303609;ON=CC(CCF)CCF;IZCFMGMOYDXYLV-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303610;MM303610;NC(=O)C(=O)CCC=CF;MXBUPASPGJXPKR-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303611;MM303611;CCCC(C=CF)CNC;IMVLITGCGKTVDW-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303612;MM303612;N=C(CC(=O)O)N(N)C=O;JWYCTCNQKVZTCU-UHFFFAOYSA-N;145.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303613;MM303613;CNCC(C=CF)CCN;CZBGLXZMDIKSBB-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303614;MM303614;C=C(F)C(=O)CCC=CF;YDFCUXSNZNGSLZ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303615;MM303615;CC=CC(CCO)CNC;SBXULZYPEBNEOY-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303616;MM303616;C=C(CCC=NO)C(C)=O;FXGJEFIYMMYEOL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303617;MM303617;CCCC(C=NN)CNC;OZVGEQZCUXBXEA-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303618;MM303618;C=C(CCC=NN)C(=N)N;CJWJBKLHBHUQOO-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303619;MM303619;CNCC(C=NO)CCO;DVCZGRFQUBJBPP-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303620;MM303620;C=C(F)C(=C)CCC=NN;ONGWYCGZUZXDRT-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303621;MM303621;CC=CC(CCF)NCC;SMWBBEJSWGTEHZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303622;MM303622;C=C(C)C(=O)CCC=NO;JNNDNVHHUDQIQZ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303623;MM303623;CCNC(C=CF)CCF;WRCYIMHOBNDTMU-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303624;MM303624;C=C(C)C(=C)CNC=NC;BAOZKHPAGIGBFF-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303625;MM303625;CC=NN(CCC)CCN;KDDIXBZBEZAIAR-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303626;MM303626;C=C(C)C(=C)CN=CNN;RYJVYDUUFXNTSJ-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303627;MM303627;C=CCCCNC(=O)C=C;VQKCQDOGKSCZJN-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303628;MM303628;C=C(F)C(=C)CNC=NC;SRYUCUGTWDGGAI-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303629;MM303629;CC=NN(CCN)CCF;FZTJERFIMLNXGL-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303630;MM303630;CC=NOCCC(N)=O;ZOOZKCKEBZPIPE-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303631;MM303631;C=CN(C)C=NOCC=O;QGQVSSXFVNBOAD-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303632;MM303632;C=C(CNN=CC)C(=N)N;WDKKPACHPLMUPN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303633;MM303633;CCCN(C=NC)NCC;OADAQGLJSFXTDV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303634;MM303634;C=COC(C)CNC=O;JVDVPELORGIKOL-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303635;MM303635;C=CCC(C=CF)CCN;IISIDILYKAOLNG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303636;MM303636;C=C(OC)C(=C)C(N)=O;VAXNTJUSGNQLJB-UHFFFAOYSA-N;127.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303637;MM303637;C=NNC(C=O)=NN=CC;XCMGQXJGAQTGKJ-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303638;MM303638;C=C(C)C(=C)COC=CC;OUFIUDQWSOWHDQ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303639;MM303639;C=NN(C(C)=O)C(C)C=O;HVOBOAPTEXQCMX-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303640;MM303640;C=C(C)C(=C)COC=CF;ZIKMZUWWIFVYMO-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303641;MM303641;CC=CCN(CC)C(N)=O;SDIMEPJXKZIWDI-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303642;MM303642;C=C(COC=CC)C(C)=O;YRVMRFUFJLZOAE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303643;MM303643;C=CCC(C=CF)CCF;DUMDBRUYEQGEGZ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303644;MM303644;C=C(COC=CF)C(C)=O;RTMKVNJBFFLEFV-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303645;MM303645;CC=CC(CC=O)CCF;CDQRNEVEOALLHD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303646;MM303646;C=C(COC=CC)C(=N)N;DBIJNOJRSKWDQQ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303647;MM303647;O=CCC(C=CF)CCF;PUMOMFIXTLNCEB-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303648;MM303648;C#Cc1n[nH]c(C)c1C;LTNFKDXPSSTYPT-UHFFFAOYSA-N;120.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303649;MM303649;CCCC(C=NO)CC=O;GWODGEJNNUREMF-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303650;MM303650;C=Nn1oc(O)nc1=N;FUGVWCBUVRVFPS-UHFFFAOYSA-N;128.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303651;MM303651;NN=C1C=CC(=CCO)C1;IDQPQZMCERORGH-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303652;MM303652;C=C(F)C(=C)COC=CC;PXLKKUNLMLVQIK-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303653;MM303653;C=CCC(C=NO)CCO;HBSYKRQMSLFXJT-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303654;MM303654;N=C(N)C(=O)COC=CF;NAZVVDQVWQZMAJ-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303655;MM303655;C=CCC(C=NN)CCF;AZABTMRZVLUXIT-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303656;MM303656;N=C(N)n1ocnc1=O;VOXLIJCCLMJJIH-UHFFFAOYSA-N;128.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303657;MM303657;C=CCC(C=CF)CNC;KGRUUOJGWLVEHG-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303658;MM303658;C=C(C)C(=C)COC=NO;IBASKGBYWPYSMP-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303659;MM303659;CC=CC(CC=O)CNC;QIQLRXBPNZTLBH-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303660;MM303660;NC(=O)C(=O)COC=NO;CFFXMULXPPLPOV-UHFFFAOYSA-N;146.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303661;MM303661;COCC(C=CF)CC=O;UZJLZTWWUGDPJC-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303662;MM303662;C=C(C)C(=C)CON=CC;QBEPKTFFBSQGSB-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303663;MM303663;CC=CC(CCO)NC=O;SBTVJRUUAYVXJH-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303664;MM303664;C=C(C=C(C)C=O)C(N)=O;AEGADGGBUAEQRU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303665;MM303665;CC=CC(CCF)NC=N;DQSNLVOXHYACEU-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303666;MM303666;C=NN=CC=C(C)C(N)=O;SWWDHXWPAUQNIC-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303667;MM303667;CNc1n[nH]c(C#N)c1N;WNLJAHASGCPNDY-UHFFFAOYSA-N;137.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303668;MM303668;CNC(C#N)CC(=O)C#N;ZQRHYNWEEDZUBO-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303669;MM303669;C=NNC(C=CC)CCC;DUODOKIMIPBZAM-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303670;MM303670;N=C(N)C(=N)NCC=CF;GBXAKDJPUSXSCE-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303671;MM303671;C=NNC(C=CF)CCC;MDMCIVNYVMXZSV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303672;MM303672;C=C(C)C(=N)NCC=NN;CUYNWYCLKFVSPN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303673;MM303673;C=NNC(C=NO)CCN;KEKAUAYSBSKJOB-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303674;MM303674;N=C(N)C(=N)NCC=NN;LMEMJIKFJYOMLK-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303675;MM303675;C=NNC(C=NN)CNC;NUOVULRKPZVJRN-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303676;MM303676;N=C(N)C(=N)NCC=NO;OSIDEOFKNIZDHU-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303677;MM303677;COCC(C=NN)NC=N;RGUCJYJLIMPWGN-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303678;MM303678;C=CN(C=O)C=CC(N)=O;MPAZDYJNJYSOGN-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303679;MM303679;CC=CC(CCN)OC=O;MNVUKTLNJYIBOC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303680;MM303680;CC(=O)C(=O)NCC=NO;ARDQZGJPLCQQJC-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303681;MM303681;C=CCC(C=CF)NCC;UAMBRFPOTKUBQF-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303682;MM303682;NC(=O)C(=O)NCC=NO;FXTDTVWKHVQVKI-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303683;MM303683;C=CCN(C=NC)CCN;ATHPVLCPCJKZPV-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303684;MM303684;NC(=O)C(F)C=CC(=O)O;PPMXKUSGKNQUCR-UHFFFAOYSA-N;147.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303685;MM303685;N#CCN(C=NO)CCO;SOVWXMNWRVMKFI-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303686;MM303686;C=CC(=CNC)C(=O)NC;SBQPSTIIVWLYDM-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303687;MM303687;C=CCN(C=NC)CCF;GTVIPYOAROQBOU-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303688;MM303688;C=C(F)C(=O)NCC=NO;AKBQKABILDRRSN-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303689;MM303689;C=CCN(CCN)N=CC;CXJQTBYICSCUIA-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303690;MM303690;C=C(C)C(=N)NNC=NN;KHZOIWBDCZORFD-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303691;MM303691;CNc1[nH]nc(C#N)c1N;WNLJAHASGCPNDY-UHFFFAOYSA-N;137.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303692;MM303692;C=C(C)C(=N)NNC=NO;OOTHJNRAAYGYJV-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303693;MM303693;CCCN(C=NO)OC=O;BHLZWVJOQJSWOJ-UHFFFAOYSA-N;146.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303694;MM303694;N=CN=C(C=O)NCC=O;OXDSANYHCPTELC-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303695;MM303695;O=CON(C=NO)CCF;PJXBWMVEPBQHGN-UHFFFAOYSA-N;150.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303696;MM303696;C=Nn1onc(NN)c1=O;CTVLYGDAOGSATR-UHFFFAOYSA-N;143.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303697;MM303697;C=CCN(C=NC)NCC;OWDILXMOCVRRNV-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303698;MM303698;C=NN1CC1C=O;YVRMSJLZONWUFE-UHFFFAOYSA-N;98.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303699;MM303699;C#CCNC=NOCC=O;KVWMJYGZMXQSDQ-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303700;MM303700;CN1CC(=O)C(F)C1;MACZYIABLRJOHD-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303701;MM303701;C=CCN(C=NO)OCC;QSSONENBFNOJST-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303702;MM303702;CN=CNNC(=O)C(C)=O;SXGWKMNALBYGCK-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303703;MM303703;C#CCC(C=CF)CCN;NYYQLEJBKBMKHW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303704;MM303704;CC(=O)C(=O)NN=CNO;SFXGGCRWQXQWPF-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303705;MM303705;CC1(C)CN(C(N)=O)C1;OUPUEEICNMUTDT-UHFFFAOYSA-N;128.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303706;MM303706;CC1(CNC=O)CC1;VGEWXICDBJPZMC-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303707;MM303707;C=C(F)C(=O)NNC=NC;PYUUGFGHJUYNTI-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303708;MM303708;C#CCC(C=CF)CCF;TYZOQVVUEPHKTN-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303709;MM303709;CC(=O)C(=N)NOC=NO;RDKNBHCYLVVWIB-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303710;MM303710;C#CCC(C=NN)CCF;HDTLWCZGMBULFE-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303711;MM303711;N=C(N)C(=N)NOC=NN;NLCOAKSVHROURD-UHFFFAOYSA-N;144.14;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303712;MM303712;C#CCC(C=CC)CNC;FMRFAOOFENQTSF-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303713;MM303713;N=C(N)C(=N)NOC=NO;IJVNZLFWIPBYFB-UHFFFAOYSA-N;145.12;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303714;MM303714;C#CCC(C=CF)CNC;DGZIESOVGQBCCF-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303715;MM303715;C=CC(=O)C=CC(N)=O;MBDFLEUCXZCSLN-UHFFFAOYSA-N;125.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303716;MM303716;C#CCC(C=CF)NCC;YYUXNCDBVCAOBF-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303717;MM303717;N=C(NOC=NO)C(N)=O;OOAOWSCKUMDWOK-UHFFFAOYSA-N;146.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303718;MM303718;N#CC1=NCC(=N)N1;VKIQUKXBRSMWSZ-UHFFFAOYSA-N;108.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303719;MM303719;CC(=CCOC=O)C(=O)O;PBWBNAXQKHYQGO-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303720;MM303720;C=CCC(C=CC)CC=O;AXXDUGIQNVFOLM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303721;MM303721;C#CC(CC(=O)O)C(N)=O;XFCPJJKJRSDERA-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303722;MM303722;C=CCC(C=CC)CC#N;HJONTWUZLZLLFY-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303723;MM303723;CC(=CC(O)C=O)C(=O)O;WOODRYNFZFXUNO-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303724;MM303724;C=CCC(C=CF)CC=O;HTBMXXYSIWGSFS-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303725;MM303725;C=C(C)OCCNC=O;IRWPXHOBKNJQLL-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303726;MM303726;CC=CC(CC=O)CC=O;PWGUSOHCHLEKBY-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303727;MM303727;NN=CONC(=O)C(N)=O;OVHZKRLZBBNRGH-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303728;MM303728;O=CCC(C=CF)CC=O;FQWLWLCUXLGXTF-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303729;MM303729;COCONC(=O)C(C)O;WTNHSQKINJAWBT-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303730;MM303730;C=CCC(C=NO)CC=O;ARIOCCKFDKWYCP-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303731;MM303731;CC=CCOC(=O)C(C)=O;JBOLSNIEDQWEAO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303732;MM303732;N=CNC(C=CF)CC=O;BEMSQUHGEFEGCA-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303733;MM303733;CC(=O)C(=O)OCC=CF;PCDRUFCNCHYXQY-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303734;MM303734;O=CCC(C=CF)NC=O;FBJSGGXJPUXUSG-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303735;MM303735;C=C(OCC=NN)C(=N)N;HWQSOLOMVLXKDA-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303736;MM303736;C=CCC(C=NN)NC=N;CORWDJZAAYPYPN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303737;MM303737;O=c1nc(CO)[nH]o1;LNMGIGDFGUNVQX-UHFFFAOYSA-N;116.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303738;MM303738;NC(=O)C=CN1CC1;UBTGANVUUSSVQX-UHFFFAOYSA-N;112.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303739;MM303739;C=C(C(N)=O)C(C)=NN;AVJHZFOVAPUAGP-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303740;MM303740;C=CCC(C=CC)NN=C;FDDYQSFYCLISML-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303741;MM303741;C=CC1NC1(C)C(N)=O;BNLFBXXOZSKZNP-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303742;MM303742;C=CCC(C=CF)NN=C;XCYWFRPXDKOVPW-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303743;MM303743;CC=C(C=NN)C(N)=O;FIDVIKIJCUZSQH-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303744;MM303744;C#CCC=C(C)C(N)=O;JSAKEGGJXSHFAO-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303745;MM303745;CC12CC(=O)C(=O)C1N2;KDPJAJPKHOXPBW-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303746;MM303746;C=COC(C=NN)OC=C;RNXSCULPOCDQMK-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303747;MM303747;OCc1noc(F)c1O;BZKPIPFHVZGOIF-UHFFFAOYSA-N;133.08;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303748;MM303748;CCC(O)(CCO)C(=O)O;NMBWLMFKIVZRJG-UHFFFAOYSA-N;148.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303749;MM303749;O=C(O)C(CO)CO;ULMZOZMSDIOZAF-UHFFFAOYSA-N;120.1;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303750;MM303750;C=NN=C(C=O)NN=C;KMOITFOKOXOFJY-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303751;MM303751;CC#CCCC(N)C(C)C;XAGVEVIESXWKFZ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303752;MM303752;Cc1c(O)noc1F;HIECAPRFGHCBSQ-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303753;MM303753;NN=CC1CC1C(N)=O;VIJBACARGRJLBG-UHFFFAOYSA-N;127.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303754;MM303754;C=COC(C=CF)ON=C;LDVRHRDEYAZTFC-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303755;MM303755;CC#CCCC(O)C(C)N;BJASXDQQGFVRCO-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303756;MM303756;C=NOC(C=NN)ON=C;VPPAJFOIEZJVCC-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303757;MM303757;CC#CCCC(F)C(C)C;JAAOPQCTYHWRSM-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303758;MM303758;C=CCN(C=NC)CC=O;PBFMQHKDXYVOMQ-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303759;MM303759;CC#CCNC(C)C(C)C;BQLIQLMWLBRSBA-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303760;MM303760;N#CCN(C=NO)CC#N;BMJUKNGUWFFTRA-UHFFFAOYSA-N;138.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303761;MM303761;CC#CCNC(C)C(C)N;OGZYRPKLIRLPMC-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303762;MM303762;CC#CCCN(C)C(C)C;DSKGKAUHASATBS-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303763;MM303763;CN=CN(CC#N)NC=N;KJGFJCFBRFCBRR-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303764;MM303764;CNc1cnc(CF)o1;HHKIVJKGRAITBB-UHFFFAOYSA-N;130.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303765;MM303765;N#CCN(C=NO)NC=N;VUZTWPZRFZLTCI-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303766;MM303766;CC#CCCC(O)C(=N)N;JDEKCERIOVNZFC-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303767;MM303767;N#CCN(C=NO)NC=O;QORVBODMPGNSFB-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303768;MM303768;C=C(C)C(C)NCC#CC;KSYHZGMRHDUGGM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303769;MM303769;Cc1noc(NC=N)n1;ZQIZBAOBCUQMHJ-UHFFFAOYSA-N;126.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303770;MM303770;CC#CCNC(C)C(=N)N;MEJZOPAVNRMYQJ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303771;MM303771;N#CCN(C=NO)OC=O;KAQXWSFRRRONJG-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303772;MM303772;CC#CCCN(C)C(C)=N;SXAPURCDBLTPIC-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303773;MM303773;C#CCC(C=CC)CC=C;WFZRWVYNIUPXFV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303774;MM303774;CC#CCCN(C)C(C)=O;XYHFGRFXYRPKIW-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303775;MM303775;C#CCC(C=CC)CC=O;ITRLZJWTYJBUSG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303776;MM303776;CC#CCCN(N)C(C)=N;QWDUIRAPOLCVKY-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303777;MM303777;C#CCC(C=CF)CC=O;URUUZUIGMGSJRI-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303778;MM303778;CC#CCCN(N)C(=N)N;IZQZQUKRQVQPHD-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303779;MM303779;C#CCC(C=NN)CC=C;CBWMUDLPJNKJED-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303780;MM303780;CC#CCCN(O)C(C)=N;KLPYTHHUQPYXMF-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303781;MM303781;C#CCC(C=NO)CC=O;AZGHQLAWRMQECI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303782;MM303782;CC#CCCN(O)C(=N)N;ABKZSRCGBFWGPQ-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303783;MM303783;C#CCC(C=CF)NC=N;VCSPATVRQKWDQQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303784;MM303784;CC#CCNN(C)C(C)=O;CGYPWLZLLZMWHZ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303785;MM303785;C#CCC(C=CC)NN=C;DVBIKQOSYCCAAI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303786;MM303786;CC#CCNN(C)C(=N)N;LMVHJDOOYSZFON-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303787;MM303787;C#CCC(C=NO)NN=C;HAYLVJBKBJRXEX-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303788;MM303788;CC#CCON(C)C(=N)N;QDKHJENPCSRBOM-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303789;MM303789;C#CCN(CC#N)N=CC;UOGHBJOSPHDJGY-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303790;MM303790;CC#CCON(C)C(N)=O;OQPVPBDEYIGJFT-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303791;MM303791;C#CCN(C=NC)NC=N;FVYYUOPTHDKYEB-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303792;MM303792;C=C(CCC#CC)C(C)N;DUDJASBQAXKIRH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303793;MM303793;CC#CC(CCN)CCF;CGYJYISQPWHOGR-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303794;MM303794;CNc1cnc(NC)o1;YNASZJNQXURWTB-UHFFFAOYSA-N;127.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303795;MM303795;CC#CC(CCF)CCF;GDEBWBIKCPEAEJ-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303796;MM303796;CC#CCCC(=O)C(C)C;XKXVJWVJAWWVSI-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303797;MM303797;CC#CC(CCN)CNC;WKASTPJZDLHWLQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303798;MM303798;CC#CCCC(=O)C(C)F;WZLVQBVZJVRSOH-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303799;MM303799;CC#CC(CCO)CNC;WCNJOSAESBZSJT-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303800;MM303800;CC#CCNC(=N)C(C)O;GZRSVTZBCSLKAX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303801;MM303801;CC#CC(CCF)CNC;WLEWAXLKOCBBFV-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303802;MM303802;CC#CCNC(=O)C(F)F;MJJNUFATHCBASG-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303803;MM303803;CC#CC(CCO)NCC;NSBUAZNIYRMXKH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303804;MM303804;C=C(OCC#CC)C(C)C;SMLFTLKBWIYETL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303805;MM303805;CC#CC(CNC)NCC;MTJDSEUEFGHNGG-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303806;MM303806;C=C(OCC#CC)C(C)O;GBASQQFVLKSROH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303807;MM303807;CC#CC(OCC)OCC;FKKVKKSEVMQYER-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303808;MM303808;CC#CCCC(=N)N(C)N;IXMOFTKZCPSZQR-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303809;MM303809;C=CCC(C#CC)CCN;CZGYJHFDWWYBNB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303810;MM303810;CC#CCCC(=N)N(C)O;ZITWUSZSNOFTEP-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303811;MM303811;C=CCC(C#CC)CCF;AWJBPDZYEFWUDX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303812;MM303812;CC#CCCC(=O)N(C)N;FLLBVDIGWYSWEI-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303813;MM303813;C=CCC(C#CC)CNC;VDDHFRAYPRZLAY-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303814;MM303814;CC#CCNC(=N)N(C)N;SLJMYOXRJWHSQZ-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303815;MM303815;C=NNC(C#CC)CCN;KVGIIWMEVFBQIH-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303816;MM303816;CC#CCNC(=N)N(C)O;MSXOKMLKLVCFPM-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303817;MM303817;CC#CC(CNC)NC=N;KVDNKEJHMRZEBY-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303818;MM303818;CC#CCOC(=N)N(C)C;HTXSJSAQGSRTOF-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303819;MM303819;C=NNC(C#CC)CNC;VIYIBUNXYJTSBM-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303820;MM303820;CC#CCOC(=O)N(C)N;AFUZIKDPZJGDEY-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303821;MM303821;CC#CC(COC)NC=O;UNNDRJSZOREUPZ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303822;MM303822;C=C(C)C(=C)CCC#CC;KYEPMDZNZZYCPJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303823;MM303823;C=NOC(C#CC)CCN;UKTBAXHSFIUVJX-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303824;MM303824;C=C(CCC#CC)C(C)=O;JVJTXXRWGGTLNH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303825;MM303825;C=COC(C#CC)OCC;FHCPUSIZSJPJEK-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303826;MM303826;C=C(CCC#CC)C(=N)N;NGFRFWYNWBZHDM-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303827;MM303827;CC#CC(CC=O)CC=O;ZJNRFNYVXNKHBS-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303828;MM303828;CCc1cc(NN)no1;KSIBRIDYIKFKLK-UHFFFAOYSA-N;127.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303829;MM303829;CC#CC(CC#N)CC#N;OKPJDNVYCVUVLM-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303830;MM303830;C=C(C)C(=O)CCC#CC;PHJCFUQMTDTEQC-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303831;MM303831;CC#CC(CC=O)N=CN;LSRDCBVMIANHMD-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303832;MM303832;CC#CCCC(=O)C(C)=O;MOOSMWZBOULQPF-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303833;MM303833;C=CC1CC1CNC=O;BMXPXKKAINVJMB-UHFFFAOYSA-N;125.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303834;MM303834;CC(=O)N(C)C(C)C(=O)O;CSNMMNNSBJWRQB-UHFFFAOYSA-N;145.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303835;MM303835;FCC1=NC2C(F)C2N1;CYYLGQXVNHYIMD-UHFFFAOYSA-N;132.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303836;MM303836;CC#CCNC(=O)C(C)=O;XBDXCICVSKSEKS-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303837;MM303837;C=COC(C#CC)OC=C;LBMIMAYUDNDNCC-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303838;MM303838;Oc1nn(O)c(O)c1F;BREHPCIROYXLTP-UHFFFAOYSA-N;134.07;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303839;MM303839;C=C(C)C(=C)CC(=O)NC;HFEAMBHIYOVRGD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303840;MM303840;C=C(OCC#CC)C(=N)N;IYFRJIFDLFHAHU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303841;MM303841;C=CCC(F)CCC(N)=O;PUVFEVPUZBENNX-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303842;MM303842;C=C(OCC#CC)C(N)=O;PTNLJUVEEYDFEJ-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303843;MM303843;C#CCC(C#CC)NC=N;QASRFXKTMUGTAX-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303844;MM303844;CC(C)C(NC=O)C(=O)O;QBYYLBWFBPAOKU-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303845;MM303845;CC=CC(C=CF)CCN;BVLHLZMSWLYFAI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303846;MM303846;CCC=CCC(C)C(C)C;GPVIGWLGFALLDC-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303847;MM303847;NCCC(C=CF)C=CF;LREOTIXTIDGJQG-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303848;MM303848;CC(C)C(C)CC=CCN;HEDXEMOGOZEQTR-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303849;MM303849;C=C(CCF)CCC(N)=O;CZUUEMWVFZWWLA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303850;MM303850;CC(C)C(C)CC=CCO;NWUIOWOGAINJRC-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303851;MM303851;FC=CC(C=CF)CCF;LNRNNFXHPVIPHG-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303852;MM303852;CC(N)C(C)CC=CCN;GZEPOXJVJNGZRA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303853;MM303853;NN=CC(C=CF)CCF;PWVHUJQNBKIWCQ-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303854;MM303854;CC(N)C(C)CC=CCO;JZJSYLCMFLFWCB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303855;MM303855;ON=CC(C=CF)CCF;ILXCFMRYMHYODD-UHFFFAOYSA-N;149.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303856;MM303856;CC(O)C(C)CC=CCN;VQDXCDUHOJHBMD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303857;MM303857;CC=CC(C=CF)CNC;MGCPNMWPLODTGE-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303858;MM303858;CC(F)C(C)CC=CCN;YAXKBKGLDQVIQM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303859;MM303859;CC=CN(C=NC)CCN;SDTGOZUIDYLHEX-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303860;MM303860;CC(F)C(C)CC=CCO;UTHWCTCLJPQBGR-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303861;MM303861;CN=CN(C=CF)CCN;GDGWOWFURUSHML-UHFFFAOYSA-N;145.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303862;MM303862;CCC=CCC(N)C(C)C;HPYJKPDDNIRBOU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303863;MM303863;C=C(C)C=CC(C)NC=O;YHUOUZWVGAAXRB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303864;MM303864;CC(C)C(N)CC=CCN;ZOIRRODVCMYISL-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303865;MM303865;CCCC(C)NC(=O)CC;AGQVDPMYRBCENQ-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303866;MM303866;CC(C)C(N)CC=CCO;INXGWQIGOMYMLP-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303867;MM303867;CCON(C=NC)C=NC;HDKAUXILDDKQID-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303868;MM303868;CC(C)C(N)CC=CCF;ZIHULPHZIDLDGX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303869;MM303869;CCCC(=O)NC(C)CC;ZAEOVFHUCSMHKX-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303870;MM303870;CCC=CCC(N)C(C)N;HBOVRITUEHFWFY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303871;MM303871;C=CCC(C=CF)C=CF;KGRKTKOVIUJRIL-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303872;MM303872;CCC=CCC(N)C(C)O;HWCQIXVAYMCKJP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303873;MM303873;CC=CC(C=CC)CC=O;LRQSNGGHABXYDS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303874;MM303874;CC(O)C(N)CC=CCO;CMDWYOJNCONDDG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303875;MM303875;CC=CC(C=CF)CC=O;PUSRRSASJSEUSX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303876;MM303876;CC(F)C(N)CC=CCF;RCOXGJWJUKVXRG-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303877;MM303877;O=CCC(C=CF)C=CF;FSPYFKVHNLBWFN-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303878;MM303878;CC(C)C(O)CC=CCN;VSXGBXJFBSKPFV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303879;MM303879;C=CCC(C=CF)C=NO;LHFHBSQBUAFXPT-UHFFFAOYSA-N;143.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303880;MM303880;CC(C)C(F)CC=CCN;BGBURTPUZLREDP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303881;MM303881;C#CC(=C)C(C)CC(N)=O;PFUQQBRDBCXZCL-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303882;MM303882;COC=CCC(N)C(C)C;GIDIQVHACBHZDC-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303883;MM303883;C=CC(CCF)CC(N)=O;ZACQLHVLKDLMBM-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303884;MM303884;COC=CCC(N)C(C)N;LGSGEILNKQKKPV-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303885;MM303885;CC=CC(CF)CC(N)=O;CLYXITSZAJNDDG-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303886;MM303886;COC=CCC(O)C(C)N;BDGSDULPHBWWPH-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303887;MM303887;C=CCN(C=NO)N=CC;FMSQKIBCAQJHMM-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303888;MM303888;COC=CCC(F)C(C)C;RWMQRQLCUPNPBR-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303889;MM303889;NC(=O)CCC=CCCF;DWKYLRUVRDQXJW-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303890;MM303890;CNN=CCC(C)C(C)C;RUAAJWGMRRXRHV-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303891;MM303891;CC=NN(C=NC)CC#N;FJVRMGUYGYHIHW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303892;MM303892;C=CC1CC1C(=O)NC;SDROJXMEJNDSDJ-UHFFFAOYSA-N;125.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303893;MM303893;C#CCC(C=CF)C=CF;HGNMETQIPWXHOM-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303894;MM303894;CNN=CCC(N)C(C)F;AJMYUSJITIXXNE-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303895;MM303895;C#CCC(C=CF)C=NN;HVTMNXHQLVMNSR-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303896;MM303896;CC=COCCNC=O;ZSBBIMSUBQIYQN-UHFFFAOYSA-N;129.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303897;MM303897;C#CCC(C=NO)C=NO;AHIYGPPHQIKLIV-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303898;MM303898;CNN=CCC(O)C(C)N;YKEULAUMUULDCA-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303899;MM303899;C=CCC=CC(C)NC=O;QHCSIACBLFZGQM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303900;MM303900;CON=CCC(C)C(C)C;MEXXLGVOTIYFRF-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303901;MM303901;C#CCN(C=NO)N=CC;FSHQILYIYQTMIT-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303902;MM303902;C=C(F)CC(C)(C)C(N)=O;DSMNFSQTXWGXJU-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303903;MM303903;CC#CC(C=NN)CCF;XODIESJOLIHEED-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303904;MM303904;CON=CCC(N)C(C)C;BDGKNDWLMDQGAP-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303905;MM303905;CC#CC(C=CF)CNC;AWLIZKLUYMAALT-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303906;MM303906;CON=CCC(N)C(C)O;OVPIONWWNFKKRT-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303907;MM303907;C=CCC(C#CC)C=NO;FABHYHKVYJVTAA-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303908;MM303908;CC(F)=CC(C)=CC(N)=O;GXFJKRRAHMGLSE-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303909;MM303909;C=C(CCC)C(=O)NCC;FVWJYVIAHLLJNF-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303910;MM303910;CON=CCC(O)C(C)N;IQBMQTNHKOWQPE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303911;MM303911;CCN=CNC(C)C(C)C;XOSYAUSGABDRDJ-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303912;MM303912;CC#CC(C=NN)OC=O;HPVZJRZWUVTSEE-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303913;MM303913;CNN=CNC(C)C(C)N;NLWOZOJZZKFPJX-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303914;MM303914;CC#CC(C#CC)OC=O;BOKNKZUPEKNWRO-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303915;MM303915;C=C(C=C(C)CF)C(N)=O;OWSRNSZBJUVSPZ-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303916;MM303916;C=NOC(C#CC)C#CC;CQGQNHBSBLEIPJ-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303917;MM303917;CCC=NNC(C)C(C)N;BWQBKSAJVBNNOY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303918;MM303918;CC=CC(C=CF)C=NN;WOXZJJBCHDCSGX-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303919;MM303919;CC(N)C(C)NN=CCN;MXCDVBPLHKMMSR-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303920;MM303920;C=C(C(N)=O)C(C)C#CC;KUQBDIIMMZOUBE-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303921;MM303921;CC(N)C(C)NN=CCO;SUSYLVWDORGLPP-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303922;MM303922;C=NNC(CC#N)CC=O;BIQRFXHTUIRRHP-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303923;MM303923;C=C(C=CC(C)F)C(N)=O;LHBJTMHQRGMSAN-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303924;MM303924;CC=NN(C=NN)C=NO;RCYQHRUPDQOBGM-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303925;MM303925;COC(C=NN)CC(N)=O;DMBGJUCWAZVAQJ-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303926;MM303926;CC=NN(C=NO)C=NO;JWCRSOHWVBRUJE-UHFFFAOYSA-N;144.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303927;MM303927;C=CCC(=O)C(N)=NNC;IYBQHUFDPQIDFN-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303928;MM303928;CC#CC(C=CC)C=NN;LJDWTNUPGXASGJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303929;MM303929;C=NOCC=C(C)C(N)=O;XUVRYXXRUZYYPX-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303930;MM303930;CCCC(=CCO)CCN;QWNWNMNUJSSEIE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303931;MM303931;COC=NNC(C)C(C)N;SYTDYOMCDMQLJX-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303932;MM303932;CCCC(=CCO)CCO;NRKPMYMALWPAGJ-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303933;MM303933;CC(N)C(C)OC=CCO;XKVKARJREPBQEU-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303934;MM303934;NCC=C(CCN)CCF;XWQYETRIJIZJSJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303935;MM303935;CC(O)C(C)OC=CCN;CKAUSRZXSLVUFQ-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303936;MM303936;NCCC(=CCO)CCF;AXGBQIFIVJYWBH-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303937;MM303937;COC=COC(C)C(C)O;XXDWLCDQQLKZSS-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303938;MM303938;NCCC(=CCF)CCF;ISFTWJBWSBNFKZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303939;MM303939;CNN=COC(C)C(C)N;JCAIYHKOORQLIP-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303940;MM303940;C=NNC(=CC=O)CC=O;JMBUUYPVCVRHRS-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303941;MM303941;CC(C)C(C)ON=CCN;JYFCRCBLZPTBDD-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303942;MM303942;NCC=C(CCO)CCF;RPUVJSHZMWGJSR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303943;MM303943;CCC=NOC(C)C(C)N;OWOBVJVHOYUTTC-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303944;MM303944;NCC=C(CCF)CCF;YROIZXXHNGANKD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303945;MM303945;CC(N)C(C)ON=CCN;XGGVHNMXAZXXHG-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303946;MM303946;FCC=C(CCF)CCF;FUNBMAABKSHJEC-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303947;MM303947;CC(N)C(C)ON=CCO;GYNNQOKCYITDLT-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303948;MM303948;CCCC(=CCN)CNC;LTARNGFXSHTCPK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303949;MM303949;C=COC(=C)C(=C)C(N)=O;BKJYRGOFEPREJI-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303950;MM303950;CNCC(=CCN)CCF;FFWSOMDPIBOYAL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303951;MM303951;C#CC=C(C)C(=C)C(N)=O;DNOZSTQWVSLCJZ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303952;MM303952;CNCC(=CCF)CCF;QPYAIOFZNIEXJM-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303953;MM303953;CNC(C#N)(C#N)C(C)=O;GKUOFURUVMDOLG-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303954;MM303954;COC=C(CCN)COC;UNMQMAKFRRJYBV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303955;MM303955;COC=NOC(C)C(C)F;KAMAAXHKFLCNJE-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303956;MM303956;CCC=C(CNC)CNC;QWSNPWGYFICBNY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303957;MM303957;CC(CC=CCN)N(C)C;OVPBMFNRSGAZGF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303958;MM303958;CNCC(=CCO)CNC;OAVFQXCOGTVGJB-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303959;MM303959;CC(CC=CCF)N(C)C;OEEQHSLACVNHLN-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303960;MM303960;CNCC(=COC)COC;YUCLNUGWFBSQFM-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303961;MM303961;CNN=CCC(C)N(C)C;PKMCAKBWRUDYMB-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303962;MM303962;C=NN=C(NN=C)C(C)=O;OGEUBUNWTLJBKO-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303963;MM303963;CON=CCC(C)N(C)C;UHZYVNYDQJHETM-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303964;MM303964;CNN=C(CCF)CCF;JWEVXEIVJSSUHQ-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303965;MM303965;CCC=CCN(C)C(C)C;YXDIOESOTVJWNE-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303966;MM303966;CCCC(CCN)=NOC;MUTSZDCAWFCWED-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303967;MM303967;CC(C)N(C)CC=CCN;PSPNUFBXAVWDDP-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303968;MM303968;CCCC(CCF)=NOC;FCJVINPYSFGVIN-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303969;MM303969;CC(C)N(C)CC=CCO;HNBXNEWWZBBTLL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303970;MM303970;CON=C(CCF)CCF;GOIQWBCHJUUTOT-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303971;MM303971;COC=CCN(C)C(C)C;PGNXNPSZBPGQCW-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303972;MM303972;CCCC(CNC)=NOC;WCYJAZHGSYQOOS-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303973;MM303973;CON=CNN(C)C(C)C;RVAYXGTUCIUUFM-UHFFFAOYSA-N;145.21;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303974;MM303974;CC(C)C(C)CC=CC=O;PLXLDRYCSNUKOK-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303975;MM303975;C=CC(=CC)CC(=O)NC;NDLGZVHFRFVGFY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303976;MM303976;CC(C)C(C)CC=CC#N;IXCITPBWWQVMSJ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303977;MM303977;C#CC(=CC)CCC(N)=O;MCYIXXIGMFWMEH-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303978;MM303978;C=CC1(CC(=O)NC)CN1;XYKIZDYESSUNPJ-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303979;MM303979;CCOCC(C)CNC=O;BXVBSRZHZXOOPG-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303980;MM303980;C=CCNC(=O)C(=C)CC;PWYPFEZOKFUCFW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303981;MM303981;CCCNC=CC(=O)NC;MFIHVHRNOMQXCM-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303982;MM303982;CC(F)C(C)CC=CC=O;OAXWPYOSBBODHV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303983;MM303983;CCOC(=COC)CCO;IMDDWNRRKKVORA-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303984;MM303984;C=CC=CCC(N)C(C)C;RVKHNNAWSDNIKT-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303985;MM303985;CCOC(=COC)COC;UYRXJWPRMOTURB-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303986;MM303986;C=CCNC(=O)C(C)=CC;AJYOWDATSQMGOK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303987;MM303987;CCOC(COC)=NOC;YILJECZQQFACKO-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303988;MM303988;C#CC1(CC)NC1CC=O;DSKPYUBSALSVJF-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303989;MM303989;CCN=C(NCC)NOC;QSZRYDSESYACDV-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303990;MM303990;CCNC(=O)C1(CC)CC1;VRXCGYWNLLQBGI-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303991;MM303991;CCNC(=NNC)NOC;VSQZDUHESJCSTR-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303992;MM303992;CC(O)C(O)CC=CC#N;WIIOASKZFYHZEG-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303993;MM303993;CNN=C(NNC)NNC;FIZNEKCIRPYEHA-UHFFFAOYSA-N;146.2;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303994;MM303994;CC(C)C(F)CC=CC=O;NZYBYPZRMGAUHO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303995;MM303995;CCN=C(NNC)NOC;VSQZDUHESJCSTR-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303996;MM303996;CC(C)C(F)CC=CC#N;DYSYGAYTQISBJX-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303997;MM303997;CCNC(=NOC)OCC;OQKWMJFQCMZOBD-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303998;MM303998;C=NN=CCC(C)C(C)N;JCPCHIVOXFOKIV-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM303999;MM303999;C=CC=CC=CC(=O)NC;HJFXHWKSUROXOB-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304000;MM304000;C=NN=CCC(C)C(C)O;SHULELCSFNMNBA-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304001;MM304001;C=CC=C(C=C)CNC=O;ZLXOJLCWLHZIQX-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304002;MM304002;C=NN=CCC(N)C(C)C;VOAGZYLZLSLFAT-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304003;MM304003;C=CC=C(CCN)CCN;HEJZWOFBIQYDDF-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304004;MM304004;C=NN=CCC(N)C(C)F;NZCWRERXTXXXQN-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304005;MM304005;COCC(=CC#N)CCO;LOKLCLCMMJRPPQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304006;MM304006;C=NN=CCC(O)C(C)C;LNRFRTRMFFJHLY-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304007;MM304007;C=CC=C(CNC)CNC;JGEYVQXSQNRMIJ-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304008;MM304008;CC(C)C(C)NC=CC=O;GMJOHPPFLBWVQD-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304009;MM304009;CNCC(=CC=O)COC;YDKQPYGJCPYURQ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304010;MM304010;CC(C)C(C)NC=CC#N;HLHPZKPXXZBODF-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304011;MM304011;C=NN=C(CCN)COC;INDUAXZWXYPAMH-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304012;MM304012;CC(O)C(C)NC=CC=O;AEKSHXNGISXSKQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304013;MM304013;CCNC(=CC=O)COC;FLDKDTNQDOGESS-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304014;MM304014;CC(F)C(C)NC=CC=O;POXFOXXDBDZEJU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304015;MM304015;CCN=C(CCO)NC=N;LSOFDMJSNTYZSD-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304016;MM304016;CC(F)C(C)NC=CC#N;DBKSDRPCNFSEAN-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304017;MM304017;CCN=C(CCF)NC=N;VVRYBLBFTTVVJR-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304018;MM304018;CC(C)C(C)N=CNC=N;RLINZMFJOHLIQG-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304019;MM304019;C=NNC(CCN)=NCC;GSESPYKZICQEBR-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304020;MM304020;CC(C)C(C)N=CNC=O;AZBWPTINOXKSKU-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304021;MM304021;C=CC(C(N)=O)=C(N)NC;IONFJZHWJLIJMF-UHFFFAOYSA-N;141.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304022;MM304022;CCCc1cc(NN)no1;HPIOBFZNOYZAHC-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304023;MM304023;CON=C(CCO)NC=O;CUPKVYDNTZDFGR-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304024;MM304024;C=NNC=NC(C)C(C)N;QGDHVBXXCWDVES-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304025;MM304025;CCN=C(COC)NC=O;WLGADJDKYHGTJK-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304026;MM304026;CCCc1c[nH]c(N=N)c1;XEPNZIPXOMIAQA-UHFFFAOYSA-N;137.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304027;MM304027;CCOC(=CC#N)CCO;CAYXRDMPENOGPT-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304028;MM304028;C=CC=NNC(C)C(C)F;WGOSVMQZNLBEOI-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304029;MM304029;CCOC(=CC#N)COC;PXWZBCFOGFGCFA-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304030;MM304030;C=CC=NNC(C)C(F)F;NFPDYVIYXLQYHT-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304031;MM304031;C=NN=C(CCN)OCC;VCHUZPKJVLWHMK-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304032;MM304032;C=CC=NOC(C)C(C)C;HOAZRUHUPDMKKM-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304033;MM304033;C=NN=C(CCO)OCC;SMMQCRLHMYJLBA-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304034;MM304034;C=CC=NOC(C)C(C)N;FOHDYHHBWODBEK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304035;MM304035;C=NN=C(COC)OCC;YOSQCIQHXJZFKA-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304036;MM304036;C=CC=CCC(C)N(C)C;UPBIUNGNBQQZDP-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304037;MM304037;CCNC(=CC#N)NCC;XGJHOIKXXNHBEA-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304038;MM304038;CC(C)N(C)CC=CC=O;KOONYNFMDPDTIG-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304039;MM304039;C=NN=C(NCC)NCC;DVVVXCVEZTUKRJ-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304040;MM304040;CC(C)N(C)N=CNC=N;VCFRKZKDXCBAGG-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304041;MM304041;C=NN=C(NCC)NNC;UWQUGKWJZWFROM-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304042;MM304042;C#CC=CCC(C)C(C)N;WPWYFAFSYOIVAZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304043;MM304043;CNNC(=NC=N)NNC;YMBHNDDSBHLPDH-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304044;MM304044;C#CC=CCC(C)C(F)F;FHBVFLCJVRYWEB-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304045;MM304045;CNNC(=NC=N)NOC;UBBRTCKQGRLKQJ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304046;MM304046;C#CC=CCC(N)C(C)C;IHUJMOLZULXLCX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304047;MM304047;CNc1cnco1;WRYWNOIBWZGSHQ-UHFFFAOYSA-N;98.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304048;MM304048;C#CC=CCC(N)C(C)N;MZTQMZSNVVEDMX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304049;MM304049;COCC=CC(N)=O;CZUYCQPRTMPRLV-UHFFFAOYSA-N;115.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304050;MM304050;COC(=O)C1C(C=O)N1C;XFNJACODQBJWJW-UHFFFAOYSA-N;143.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304051;MM304051;CCNC(=O)C(C)C;WQLQCNJDXCGKIL-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304052;MM304052;C#CC=CCC(O)C(C)O;HQOMFGRNRPBHJG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304053;MM304053;C=CCC(=CCN)CCN;MUECKYFYICYDAB-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304054;MM304054;C#CC=CCC(F)C(C)C;BAWDPIWOJZEIFH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304055;MM304055;C=CCC(=CCN)CCF;MFFSNALPHFHVPP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304056;MM304056;C#CC=NNC(C)C(C)N;WQCRLWZZDPONRL-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304057;MM304057;N#CCC(=CCO)CCF;GBFAMXQFHCRNDI-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304058;MM304058;C#CC=COC(C)C(C)C;WIWOCNKEPOGFDG-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304059;MM304059;COC=C(CC=O)CCF;TYFYGBXTBMWGCY-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304060;MM304060;C#CC=COC(C)C(C)N;HUARKGWXYVLTKR-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304061;MM304061;CCC=C(CC#N)CNC;CMBWHEXRWDFPHA-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304062;MM304062;C#CC=COC(C)C(C)O;OINAWIWMFFPIQE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304063;MM304063;COCC(=CCO)CC#N;PZYRSLBBWQDPTG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304064;MM304064;C#CC=COC(C)C(C)F;TYAOEKBAGKOYTK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304065;MM304065;C=CCC(CCN)=NOC;IVIQXSXTFSWTRE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304066;MM304066;C#CC=NOC(C)C(C)C;NBGSIQSWZBOGHH-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304067;MM304067;N=CNC(=CCN)CCO;NIGFHPOEXVULNB-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304068;MM304068;C#CC=NOC(C)C(C)N;SWHLBIZLPRXPKZ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304069;MM304069;N=CNC(=CCF)CCO;NEHCUXMOCKHZIW-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304070;MM304070;C#CC=NOC(C)C(C)F;MWCSBNWFHTVUKE-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304071;MM304071;O=CNC(=CCO)CCO;IQWOGWFHRHNENB-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304072;MM304072;C#CC=NOC(C)C(F)F;XGAXHPMFRQWSLG-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304073;MM304073;O=CNC(=CCF)CCO;FZUGYSBTKOTRKG-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304074;MM304074;C#CC=CCC(C)N(C)C;RFPAUMPROCTOSJ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304075;MM304075;COC=C(CCN)NC=N;WLDBWJLOPIOAIB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304076;MM304076;C#CC=CCN(C)C(C)C;IVHLKTBJAJIQGW-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304077;MM304077;COC=C(CCO)NC=O;CHLKPLPYGOKVTK-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304078;MM304078;C=C(C)C(C)CC=CCC;HSXBMKJLCPMUMM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304079;MM304079;COC=C(CCF)NC=N;MTDGQUKDKGUBKH-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304080;MM304080;C=C(C)C(C)CC=CCO;SRIDSJQLTZLBTM-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304081;MM304081;COC=C(CCF)NC=O;QWPZQQIXSKRQHJ-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304082;MM304082;CC(=O)C(C)CC=CCF;XBKSZXOFTZKJRO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304083;MM304083;CC(CC=CCF)C(=N)N;OFWMNBATTBIFCL-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304084;MM304084;CNCC(=COC)NC=O;HVFPTUYFIGGSOV-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304085;MM304085;CC(CC=CCN)C(N)=O;RLBUBCOOQIFNEZ-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304086;MM304086;COCC(=CCO)NC=N;YLOBQWUULHIHEN-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304087;MM304087;CCC=C(COC)NC=O;REZDHYPIPDYSQM-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304088;MM304088;CC(CC=CCF)C(=O)O;WXTFSSQSWCQPNK-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304089;MM304089;COCC(=CCO)NC=O;KLKYQWODWQYDMV-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304090;MM304090;C=C(F)C(C)CC=CCN;ORCWAOLWHFSKTP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304091;MM304091;COCC(=CCF)NC=O;OMAOBUZRMDVIJI-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304092;MM304092;C=C(F)C(C)CC=CCF;RPVAIZIBSDIQCV-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304093;MM304093;C=CNC(CCC)=NNC;YAAQLVBNVBPQGV-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304094;MM304094;C=C(C)C(N)CC=CCC;PPJQTQJJTOPRAA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304095;MM304095;C=CNC(CCO)=NNC;ZZHBREQIACIKCT-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304096;MM304096;C=C(C)C(N)CC=CCF;CDHSTBZNXXOKHJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304097;MM304097;C=CNC(CCN)=NOC;NPPGEVWDGIDTPC-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304098;MM304098;C=C(F)C(N)CC=CCN;ABQAPJKJARZPBL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304099;MM304099;C=COC(=COC)CCO;PDILWOHJQXJUQJ-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304100;MM304100;Nc1nnnn1N;XMGWNAIPGOPSNX-UHFFFAOYSA-N;100.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304101;MM304101;COC=C(CCO)OC=O;JKJVILVGUYXGQY-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304102;MM304102;C=C(C)C(O)CC=CCN;XTSVMYQWRJHDEM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304103;MM304103;C=COC(=COC)CNC;ZFDXKEIJVRXWIH-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304104;MM304104;CCNC(=O)C=CN;ZLUQWUVRBPPJOW-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304105;MM304105;COCC(=CCO)OC=O;MXWSJTCRBPOZJM-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304106;MM304106;C=C(C)C(F)CC=CCN;WKFYIULQYSYRBM-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304107;MM304107;C=COC(=COC)COC;SVIHUEBZINVPDM-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304108;MM304108;C=C(C)C(F)CC=CCO;KZRDLSUUZKILKN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304109;MM304109;CN=C(N)C(=O)CF;QXIKYUBHAAINKU-UHFFFAOYSA-N;118.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304110;MM304110;CCC=CCC(F)C(C)=O;NJYZYWRPNRQDPM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304111;MM304111;CC=C(C)C(=O)NC;MREZLUJXFNFQIH-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304112;MM304112;CC(=O)C(F)CC=CCF;SYMULUPJFPXDOI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304113;MM304113;CCNc1c[nH]cn1;GKAHYGRYUCURHP-UHFFFAOYSA-N;111.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304114;MM304114;N=C(N)C(F)CC=CCN;PTYBTYJLHCPABI-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304115;MM304115;C=NOC(CCN)=NOC;RBCCRLQDLAWNKR-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304116;MM304116;Nc1cc(F)c(N)[nH]1;IWJKFEZNGITAOQ-UHFFFAOYSA-N;115.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304117;MM304117;CC1CC1CNC=O;OKMZHFCIMHNMFK-UHFFFAOYSA-N;113.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304118;MM304118;C=C(C)C(N)CC=COC;OVQWSRYKJIABRF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304119;MM304119;CC=NOCCC=O;NSLAEPRDHQHAST-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304120;MM304120;C=C(C)C(O)CC=COC;IFBQRTJPVHFFIQ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304121;MM304121;CC(=O)NC(C)C(C)C;XWPUQRQYZFFMAQ-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304122;MM304122;COC=CCC(O)C(N)=O;FRKSZRIIUZKCRV-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304123;MM304123;C=CNC(=NNC)NCC;IBEUONXXFLHLDW-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304124;MM304124;CC(=O)NCC1CC1;GDQTVPUAZAECHX-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304125;MM304125;CCNC(=O)C=C(C)C;GPXGESPSZCTKLA-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304126;MM304126;CNN=CCC(C)C(=N)N;JZYDKVYJOWVCJI-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304127;MM304127;C=CNC(=NNC)NNC;DMSFJVZPIYZIRX-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304128;MM304128;CNN=CCC(N)C(=N)N;KOUHOKSUHWVBIV-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304129;MM304129;CNN=C(NC=N)NNC;YMBHNDDSBHLPDH-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304130;MM304130;C=CC1CC1NC=O;NOTOFCZJPKDQOZ-UHFFFAOYSA-N;111.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304131;MM304131;CNNC(=NOC)NC=N;UBBRTCKQGRLKQJ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304132;MM304132;CNN=CCC(O)C(=N)N;QYHPKDFXAKSAPC-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304133;MM304133;C=CC(C)=CC(=O)NC;QLIUMHBLRWDRBA-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304134;MM304134;C=Cc1n[nH]cc1C;ZTFHVUSHYPZKOI-UHFFFAOYSA-N;108.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304135;MM304135;CCC(CC)NC(C)=O;MDVOEWMVMCNPHG-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304136;MM304136;C=C(C=CC(N)=O)CF;VJTMRIDFXYWYEA-UHFFFAOYSA-N;129.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304137;MM304137;C=CNC(=NNC)NOC;IJWSTAVVNRPGLN-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304138;MM304138;C=C(C)C(C)CC=NOC;PUVOCICTGBSAAZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304139;MM304139;C=NOC(=NOC)NCC;CNRNUPGRWKHGLE-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304140;MM304140;NC(=O)C=CC=CCF;NYYUMQIVLHWNFO-UHFFFAOYSA-N;129.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304141;MM304141;Cc1c(F)c(N)nn1C;GZAGHTMDRNNAFA-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304142;MM304142;ON=c1c(O)c(F)on1O;OYXBZTCDTRCGNU-UHFFFAOYSA-N;150.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304143;MM304143;CCc1[nH]nc(C)c1C;LXWFIXIVBZXVLN-UHFFFAOYSA-N;124.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304144;MM304144;C=C(C(=O)O)C(CF)=NN;YJXIIFFGPPZBGX-UHFFFAOYSA-N;146.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304145;MM304145;CC(=O)C1C(C=O)N1C;ZEKNZINQFNXVND-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304146;MM304146;O=CC1CC(CF)=NO1;MDXMILDFBXVHIS-UHFFFAOYSA-N;131.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304147;MM304147;CON=CNC(C)C(=N)N;AXIQFBPDUWXNGW-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304148;MM304148;CCOC(=CCO)CC#N;WKMNSORIYXTAHU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304149;MM304149;CC(C=O)=C(C)C(N)=O;KELOXMAKRXJGPN-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304150;MM304150;CCOC(=COC)CC#N;MNGINZHLZRUUQY-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304151;MM304151;C=C(C)C(C)NN=CCC;XEDBCCXJLWYCFX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304152;MM304152;CCC1NC1C(=O)C#N;QMCJZZDWYVCZID-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304153;MM304153;C=CC(=C)C(=O)NCC;URBIBKWCRDKRRG-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304154;MM304154;CCOC(CC#N)=NNC;ZVYOBBVBFSHZAS-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304155;MM304155;C=NOC(C=O)C(C)F;SZWYXBFEEZYQHH-UHFFFAOYSA-N;133.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304156;MM304156;CCOC(=CCN)NC=N;VSDYVTXUKPVONV-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304157;MM304157;CCC=NNC(C)C(=N)N;MEPJITLDDNWPOM-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304158;MM304158;CCOC(=CCO)NC=N;IBEICTCOPNDNRV-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304159;MM304159;COC=NNC(C)C(=N)N;UGEFYUSJGDGUAX-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304160;MM304160;CCOC(=CCF)NC=N;QRCSSMWHFWVMRJ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304161;MM304161;CCC=COC(C)C(=N)N;GIMNQXSEVUGEAW-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304162;MM304162;CCOC(=CCO)NC=O;LXBUGJDOYMVDFI-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304163;MM304163;CC(OC=CCN)C(=N)N;MCRNTOMUFQKMSG-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304164;MM304164;CCOC(=CCF)NC=O;OIJAEMAOMOHZDE-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304165;MM304165;CC(OC=CCF)C(=N)N;UJVBVEUORAWZFL-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304166;MM304166;CCOC(=NNC)NC=O;JFGBTRRMZNIYFE-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304167;MM304167;C#Cc1n[nH]c(=NN)o1;ONKGKMXJXFJZPM-UHFFFAOYSA-N;124.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304168;MM304168;C=CNC(=NOC)OCC;ROVDCZHETUSJGH-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304169;MM304169;C=C(C)C(C)ON=CCN;AQJJTODBKKUIHY-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304170;MM304170;CCC=NOCCC=O;BYBWJXZFSPRPQJ-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304171;MM304171;C#CCC(=CN)C(N)=O;YRLVEGVARMKFCV-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304172;MM304172;C=CC=NOCCC=O;IEFRTIHQGZZJSG-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304173;MM304173;CNC(=O)CC1CN1C;QIHCVIKXKODATC-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304174;MM304174;CCOC(=NOC)OC=O;KTAJPVCOQSVZCK-UHFFFAOYSA-N;147.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304175;MM304175;CC(ON=CCO)C(=N)N;OVCZLQYSTJMRLV-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304176;MM304176;CN1C2CC(=O)C(=O)C21;KDBJGWLUNIJTCK-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304177;MM304177;Nn1[nH]oc(=NO)c1=O;WPCCCJYMEXJJNR-UHFFFAOYSA-N;132.08;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304178;MM304178;C=CCC(=CC#N)CCC;KGOZMGFRXNYFMR-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304179;MM304179;C=C(C)C(C)ON=COC;MBCCPCYFPMGMDG-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304180;MM304180;CCCC(=CC#N)CC#N;FPABHWPGVQZTML-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304181;MM304181;CCC=CCN(C)C(C)=N;PDKZEJOSUOALRQ-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304182;MM304182;C=CC=C(CC=C)CNC;OQTMXACPQBYEAJ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304183;MM304183;CC(=N)N(C)CC=CCN;QRYHAFYFMMYJTR-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304184;MM304184;C=CCC(=CC#N)CNC;BPPNKVZQXFEDBL-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304185;MM304185;CC(=N)N(C)CC=CCF;SALYZZXPSJIRSV-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304186;MM304186;CNCC(=CC#N)CC=O;UGVZSOSUBLROIV-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304187;MM304187;CCC=CCN(C)C(C)=O;IOMOGJLAEHABHR-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304188;MM304188;C=CCC(CCC)=NN=C;IUCFFNWWXYVIRS-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304189;MM304189;CC(=O)N(C)CC=CCN;UWZQAYOKLZMCJX-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304190;MM304190;C=NN=C(CC#N)COC;ICLMLDCTGNICFA-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304191;MM304191;CC(=O)N(C)CC=CCO;VZRADORJEBJACL-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304192;MM304192;C=CC=C(CCO)NC=O;GSSHNJAIYYXALW-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304193;MM304193;CCC=CCN(C)C(=N)N;RHXJLUQSESLHTG-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304194;MM304194;O=CC=C(CCO)NC=O;AJVNYUYEDJCBKV-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304195;MM304195;CN(CC=CCO)C(=N)N;WFTUVQXBFBDHKH-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304196;MM304196;N#CC=C(CCO)NC=O;YKSYRQCCPYXPRY-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304197;MM304197;CCC=CCN(C)C(N)=O;YXNSYFSMWZWTIH-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304198;MM304198;C=CC=C(CCF)NC=O;STOXCCCTOOZYBL-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304199;MM304199;CN(CC=CCN)C(N)=O;AAQONHKBLKBFTI-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304200;MM304200;C=CC=C(COC)NC=N;LETYJPCMACZGJK-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304201;MM304201;CCC=CCN(N)C(C)=N;UGWTUBLYSXLGCH-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304202;MM304202;COCC(=CC#N)NC=N;JCSJYTBGZBVMCS-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304203;MM304203;CC(=N)N(N)CC=CCO;PUVVKMROEQWCER-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304204;MM304204;C=CC=C(COC)NC=O;XYDKCBBJJAYOBX-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304205;MM304205;CCC=CCN(N)C(C)=O;OUCCVFSPOALMEE-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304206;MM304206;COCC(=CC=O)NC=O;NMHXJZPNOUVTPA-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304207;MM304207;CC(=O)N(N)CC=CCF;ZNGOLAIETDHEFM-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304208;MM304208;C=CN=C(CCC)NC=N;AHHZOINTJLZEOL-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304209;MM304209;N=C(N)N(N)CC=CCO;WGHYJGSVEIAABG-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304210;MM304210;CCCC(=NC=O)NC=O;MRWGPGRBELKQMS-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304211;MM304211;CCNc1cc(C)[nH]n1;IQQRVIOZEHKZNW-UHFFFAOYSA-N;125.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304212;MM304212;C=CN=C(CCO)NC=N;RSZXJYCMNDTLLM-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304213;MM304213;CCC=CCN(O)C(C)=N;VWCZVXSRYUJZKQ-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304214;MM304214;N=CN=C(CCO)NC=N;UZGHSEIOVCDRLW-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304215;MM304215;N=C(N)N(O)CC=CCN;GFWIZMNAPGCZHX-UHFFFAOYSA-N;144.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304216;MM304216;CC(C)=COC=CC(N)=O;XYXBGJMEYYQDSD-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304217;MM304217;NCC=CCN(O)C(N)=O;JJQJNPRQSMRGLK-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304218;MM304218;O=CN=C(CCO)NC=O;NFWXKSCGLAEWOH-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304219;MM304219;COC=CCN(C)C(=N)N;BKJJHYVQKWSZPP-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304220;MM304220;C=NN=C(CCN)NC=O;DXXBBXSYOXSHMK-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304221;MM304221;COC=CCN(C)C(N)=O;LCYOTUOUSNQNHZ-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304222;MM304222;C=NN=C(CCN)NN=C;GJJSNZXFCNWIFM-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304223;MM304223;COC=CCN(N)C(=N)N;QIPLABHFKZEVNW-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304224;MM304224;CCCCC(=O)NC(C)C;VZEVDNWVJCJQBA-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304225;MM304225;CN(CC1CC1)C(N)=O;JYVLKESHEAOVDW-UHFFFAOYSA-N;128.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304226;MM304226;COCC(=NC=N)NC=O;HIQJHBZPVFQYCL-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304227;MM304227;COC=CCN(O)C(C)=N;AAHZBVKOSNRCNV-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304228;MM304228;C=CC(C)CN(C)C(N)=O;YQYOTJGJTDLCNV-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304229;MM304229;COC=CCN(O)C(=N)N;KSXPHWOILHCBEE-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304230;MM304230;C=COC(=CC=O)CCO;SZOAMELVZSSHMQ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304231;MM304231;CNN=CCN(C)C(=N)N;GQKYCEXAPGVYRU-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304232;MM304232;C=COC(=CC#N)CCO;PWZZGFQEFVJZFO-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304233;MM304233;CC(=CC1CO1)C(N)=O;JGFUWTMUOCIPRQ-UHFFFAOYSA-N;127.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304234;MM304234;O=CC=C(CCO)OC=O;ITDDXMRXLGZASU-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304235;MM304235;N#CC=C(CCO)OC=O;VSXQOEYBGZHXBH-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304236;MM304236;CNN=CCN(N)C(=N)N;MQVCOTPRPDFHFO-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304237;MM304237;C=COC(=CC#N)COC;CNZBUFDLTCVBMF-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304238;MM304238;CC1C(=N)N=CN1C=O;ZTARCUSOPOJGTQ-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304239;MM304239;C=COC(CCN)=NN=C;KIUIIZMZGWWHQV-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304240;MM304240;CNN=CCN(O)C(=N)N;FIGJHXHFIDQNHG-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304241;MM304241;C=COC(CCO)=NN=C;PFOQZDJZVSJTFA-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304242;MM304242;CNN=CCN(O)C(N)=O;PJTWWQPSSKWZRM-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304243;MM304243;C=COC(COC)=NN=C;IQVPQVPCDHRKPI-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304244;MM304244;C=C(C(=O)NC)C1CC1;JGIWSBOYRYVGHC-UHFFFAOYSA-N;125.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304245;MM304245;CCNC(=CC=O)CC=O;QDQHXSSYFRCXRI-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304246;MM304246;CON=CCN(N)C(C)=N;DZKWIWVTYFPIGL-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304247;MM304247;CON=C(CC#N)NC=O;ARHPXOWPBZPNAU-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304248;MM304248;CON=CCN(N)C(=N)N;ZJPZCLNRKMKKGS-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304249;MM304249;CCNC(=NC=N)NC=N;ZAWTUTNSIOETSQ-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304250;MM304250;CC(C)(CC=CF)C(N)=O;YRZZJLYSRVXEAB-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304251;MM304251;CCNC(=NC=O)NC=N;KJBNMSACIIEKJF-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304252;MM304252;CCN=CNN(C)C(C)=N;ZPKJYOVHBBRNHM-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304253;MM304253;CC(F)C(C)C=CC(N)=O;MTDUQFQXRMWYOZ-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304254;MM304254;CCN=CNN(C)C(=N)N;PMBGUUOBGSASGZ-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304255;MM304255;CNNC(=NC=N)NC=N;SZMIOONULZHSPE-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304256;MM304256;CNN=CNN(C)C(C)=N;LKRAIWUTJVZXQF-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304257;MM304257;CNNC(=NC=O)NC=N;MYLIGSOZBMSKLJ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304258;MM304258;C=C(C)C(C)NC(=O)CC;QLCFWQGFAKHHGI-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304259;MM304259;CC=C(C)OC=CC(N)=O;UYNXPCDSLUWVPD-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304260;MM304260;CNN=CNN(C)C(=N)N;ZLYXLOWQEXCWCX-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304261;MM304261;C#CC(C)=CCCC(N)=O;GAQWKQYELBBZCK-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304262;MM304262;CON=CNN(C)C(=N)N;FAKKJOBSJURCRW-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304263;MM304263;C=NN=C(NN=C)NOC;ZBILSPQSXJTJMT-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304264;MM304264;CON=CON(C)C(C)=N;LWHSXZSKIDNJHB-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304265;MM304265;C=COC(=CC#N)NCC;CZVOIESKKMCOBT-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304266;MM304266;C=CC=CCC(C)C(=C)C;WXSVODKZGLOIMT-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304267;MM304267;CCC(=CC(N)=O)CCF;FWMRAQFWHXLFCY-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304268;MM304268;C=C(C)C(C)CC=CC=O;RUNCWIYIFVSOPO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304269;MM304269;C=C(C)C=NOCCC=O;YQSYFKCWQGJPPL-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304270;MM304270;C=CC=CCC(C)C(C)=O;MVHHDUGOCLBCIA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304271;MM304271;C=CC=CCC(C)C(=N)N;LODJVNSFDGETRC-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304272;MM304272;C#CCCNC=CC(N)=O;YKFLDKJFORTNJE-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304273;MM304273;CCOC(=CC#N)CC#N;OQJAZRNTEBXVHH-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304274;MM304274;C=C(C=C(C)C(N)=O)CO;OYHYYZRTKARVNE-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304275;MM304275;C=NN=C(CC#N)OCC;PXQQCPQOVZQWHY-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304276;MM304276;C=CC=CCC(C)C(=O)O;PSWFXFAJXLQWAI-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304277;MM304277;CCOC(=NC=O)NC=O;UWZUCMDNAVWWSM-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304278;MM304278;Cc1c(O)nnn1C=N;SWFMBSLCHQLYSQ-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304279;MM304279;NN=CCON=CC(F)F;AXVALIHGVFNNAJ-UHFFFAOYSA-N;151.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304280;MM304280;C=CC=CCC(C)C(=C)F;QBVCESKGYZWJCK-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304281;MM304281;CC#CCON=CC(F)F;SWFMPBLLDHMOIG-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304282;MM304282;C=C(F)C(C)CC=CC=O;RHCKQHBAHYVCBM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304283;MM304283;C=NN=C(OC=O)OCC;LLSJICKOZLQWNP-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304284;MM304284;C=C(F)C(=C)CCC(N)=O;ZLUFWFDANIXVMX-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304285;MM304285;C=NN=C(OCC)ON=C;ACLLIGSEQILDDC-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304286;MM304286;N#CC=CCC(O)C(=N)N;QWIPXNLSPOVCHB-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304287;MM304287;C#CC=C(CC#N)CCC;NKZXUSZILZZTNV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304288;MM304288;C=CC=CCC(F)C(C)=O;CSAXOZMMYFMTCV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304289;MM304289;CCC=COC=CC(N)=O;WMXUZLFFYOVXQU-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304290;MM304290;C=CC=CCC(F)C(=O)O;NCXBWZYFWRXTGL-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304291;MM304291;C#CC=C(CC=C)CCF;HIAVNABELMTJTN-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304292;MM304292;C=NN=CCC(C)C(=N)N;UUVYNPFEXWLSQW-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304293;MM304293;C#CC=C(CC=O)CCF;WLGYCJLZCBZZAA-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304294;MM304294;CC(F)=C(C)C=CC(N)=O;YZNOGXMZVBQOGE-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304295;MM304295;C#CC=C(CC=C)CNC;FMJITNSXOJGKAR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304296;MM304296;C=NN=CCC(O)C(C)=O;LPPBKVSKGVEABG-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304297;MM304297;C#CC=C(CC#N)COC;WDBZGGGZWMQKFR-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304298;MM304298;C=NN=CCC(O)C(=N)N;UDVQXVSYQATEPJ-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304299;MM304299;C#CC=C(CNC)NC=O;DDOKFCJFBIMSFD-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304300;MM304300;CC(=CF)C(C)=CC(N)=O;AORUQYHGWKCTPN-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304301;MM304301;CC(NC=CC#N)C(=N)N;HRHNDXBKFRSQTA-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304302;MM304302;C#CC=C(NC=O)OCC;LYNOGHSQWCGBCI-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304303;MM304303;CC(N=CN=CN)C(N)=O;CVIRCISUWIDAFY-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304304;MM304304;C#CCC(=CCN)CCF;JFHBHCLTFIZTAO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304305;MM304305;C=C(F)C(C)N=CNC=N;BCFCYHMONOBIQX-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304306;MM304306;C#CCC(=CCN)CNC;MARVWLYQINBWRS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304307;MM304307;CC(=O)C(C)NN=CC#N;QIZVUOJANGOUNS-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304308;MM304308;C#CCC(CCF)=NOC;JCLLLVWOCAOWRC-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304309;MM304309;CC(NN=CC=O)C(=N)N;QWUVZFYMFHARNG-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304310;MM304310;C#CCC(=NCC)NNC;LDKAHSGXGWYFGL-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304311;MM304311;CCOCCCNC(C)=O;CGCYTLYRXLCRDY-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304312;MM304312;CC(CCCC=O)C(N)=O;UDZMZXVCVSAIOB-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304313;MM304313;C=CC=NNC(C)C(=C)F;VIHOWOVDRAQECU-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304314;MM304314;C=C(CC#CCC)C(N)=O;DHKBWZOKIINCHF-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304315;MM304315;C=C(C)C(C)OC=CC#N;WEUPSSZUOCTPCE-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304316;MM304316;C#CCC(=CC=C)CCN;FNJMOHQTLNSAKK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304317;MM304317;CC(OC=CC=O)C(=N)N;MGFNPDIUQFXLKC-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304318;MM304318;COC=C(C(N)=O)C(C)C;BHOBCIYJZGQPCZ-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304319;MM304319;CC(OC=CC=O)C(N)=O;CTYLEJDIPLLLTQ-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304320;MM304320;C#CCC(=CC=C)CCF;NLTUUBSWWWJDLD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304321;MM304321;C=CC=NOC(C)C(=C)C;IXROOZNTLNGOGB-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304322;MM304322;C#CCC(=CC=C)CNC;MYUCEOAKAZQUNN-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304323;MM304323;C=NOC(C)=NNCC=O;VGBYYOSNTJVODP-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304324;MM304324;C#CCC(=CC#N)CNC;QMQCUEWBJRGZPA-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304325;MM304325;Nn1c(O)noc1=NO;FCIGMHJTEBLPIZ-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304326;MM304326;C#CCC(CCF)=NN=C;UVMZPQHGPKBDRD-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304327;MM304327;C=C(F)C(C)ON=CC#N;CXAHVYKHHFRGTR-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304328;MM304328;C#CCC(=NNC)NC=O;JPMASDZDRRWFGM-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304329;MM304329;CN(CC=CC=O)C(N)=O;KJWPPVYBWKXAQI-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304330;MM304330;C#CCC(=NOC)NC=O;LUFWUVXNAUMRFV-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304331;MM304331;C=CC=CCN(N)C(C)=O;VNHJXZCARPABLJ-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304332;MM304332;C#CC=C(CC#C)CCF;NFMMMDHMIXYPEW-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304333;MM304333;CC(=N)N(O)CC=CC=O;BLJLOGVILUXZNK-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304334;MM304334;C=CCC(=CCC)CC=O;JVRRHNKBRGXWKB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304335;MM304335;NC(=O)N(O)CC=CC=O;SXMJDQVSQALCAK-UHFFFAOYSA-N;144.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304336;MM304336;C=CCC(=CCF)CC=O;UHOFCZNLOZMMEG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304337;MM304337;C=NN=CCN(C)C(=N)N;OFLACFSOCAHNPZ-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304338;MM304338;CCC=C(CC=O)CC=O;QJQRJWBSXYJZQD-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304339;MM304339;C=NN=CCN(N)C(C)=N;OJQUUFJXAFGHJN-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304340;MM304340;CCC=C(CC#N)CC#N;DOLZSIZCPXVUAE-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304341;MM304341;C=NN=CCN(N)C(=N)N;IREVARQIYUYNGL-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304342;MM304342;N#CCC(=CCO)CC=O;HQMFFADOCLKMPH-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304343;MM304343;C=CC=NNC(C)C(N)=O;VQEJTRBSTUHVBU-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304344;MM304344;N#CCC(=CCF)CC#N;KQSPWCYFBOOLCK-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304345;MM304345;C=NN=CCN(O)C(=N)N;JROVAOBUMVIGPS-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304346;MM304346;COC=C(CC#N)CC=O;HDJIAQJXKOPFQZ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304347;MM304347;C=NN=CCN(O)C(N)=O;FWAMYVMZMQHVBV-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304348;MM304348;C=CC(CF)CCC(N)=O;YJARVGSPCHAKBC-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304349;MM304349;CN(NC=CC#N)C(=N)N;NEMMSURCILGRJF-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304350;MM304350;N#CCC(=CCO)NC=N;RUUPEBXDCKMEBL-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304351;MM304351;CN(NC=CC#N)C(N)=O;IGVBBLRCTCKVEZ-UHFFFAOYSA-N;140.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304352;MM304352;N#CCC(=CCO)NC=O;SVUPWPRYVAEXIP-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304353;MM304353;CC(=N)N(C)N=CNC=N;ORZFGBURYONFRA-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304354;MM304354;C=CNC(CC#N)=NCC;IGTLOPCUSKMEBD-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304355;MM304355;CN(N=CNC=O)C(=N)N;CPZYYEAOYRSZNF-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304356;MM304356;CCC=C(CC=O)OC=O;FJXJVKGBKRLBCK-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304357;MM304357;C=NNC=NN(C)C(=N)N;RDVNVAUPVMIJNR-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304358;MM304358;C=COC(=COC)CC#N;JGBOBCBNAOHIEU-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304359;MM304359;NC(=O)C1CC(CC=O)C1;OKJVLJKHYRXLNX-UHFFFAOYSA-N;141.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304360;MM304360;C=COC(CC#N)=NNC;IUVYWMRBAWLJFN-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304361;MM304361;C=NN=CON(C)C(C)=O;CCZAGHUKCQSEMP-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304362;MM304362;CNN=CC(F)C(C)C=O;AGCIWSDOCUWRKC-UHFFFAOYSA-N;146.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304363;MM304363;C#CC=CCC(C)C(=N)N;LKLNKMQAROHVGA-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304364;MM304364;C=CC(C)=NOCCC=O;LHGURIIAELSMNA-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304365;MM304365;CCNc1cc(N)c(F)[nH]1;RBQFPKMNTRQEET-UHFFFAOYSA-N;143.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304366;MM304366;CCC=C(NC=N)NC=N;XANKLOPRCGJMPD-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304367;MM304367;C#CC=CCC(C)C(=O)O;NXMAJGIJKPACNT-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304368;MM304368;N=CNC(=CCO)NC=N;PPKUAKHYZDLBDD-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304369;MM304369;C#CC=CCC(C)C(=C)F;NBTQKEZDYBVDBY-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304370;MM304370;N=CNC(=CCO)NC=O;GYPYVOYFHFNXIQ-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304371;MM304371;C#CC=CCC(N)C(=C)C;FQNQSDIWSKMOTB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304372;MM304372;NCC=C(NC=O)NC=O;RNWIQPQALTZVOI-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304373;MM304373;C#CC=CCC(O)C(N)=O;JGDNRFSPHFQNGD-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304374;MM304374;O=CNC(=CCF)NC=O;VGAWCPSHEMGNAH-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304375;MM304375;C#CC=CCC(F)C(=C)C;GJXCNCOYOGOMGY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304376;MM304376;COC=C(NC=N)NC=N;WZSFAMMTTHQPBD-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304377;MM304377;C#CC=CCC(F)C(C)=O;RCFKAOXHLJLUOW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304378;MM304378;COC=C(NC=N)NC=O;JCJKXULBFNFJOD-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304379;MM304379;C#CC=CCC(F)C(=C)F;VAVLOGUEXNFINR-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304380;MM304380;CON=C(NC=O)NC=O;HHJCTENQAVFFEM-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304381;MM304381;Cc1c(N)c(O)n(C)c1N;OPKIYEATXFZUBJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304382;MM304382;C=CC(CC)NC(=O)CC;UFHBPKYEBQFEKS-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304383;MM304383;C=COC(=CCN)NC=O;TYLACXMLFYPQJU-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304384;MM304384;C#CC=COC(C)C(C)=O;IPPJPJPXDBHIFZ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304385;MM304385;C=COC(=CCF)NC=O;MOXVTLBNXAYYHT-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304386;MM304386;C#CC=COC(C)C(N)=O;HTCODGUVSSELEG-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304387;MM304387;C=CNC(=NOC)ON=C;FDMGEENMIGLVPR-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304388;MM304388;COCC=C(C)CNC=O;NMCXPRZFNHSEMI-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304389;MM304389;C=CCC(=CC#N)CC=C;YREMSEYGNQFNSU-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304390;MM304390;C#CC1(CCC(=O)O)CN1;LRVWCCWLWHBVRW-UHFFFAOYSA-N;139.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304391;MM304391;C=CC=C(CC=C)CC=O;BJAROZHIEYXICY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304392;MM304392;C#CC=NOC(C)C(=C)F;IRHLDTHMBRKQNL-UHFFFAOYSA-N;141.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304393;MM304393;C=CCC(=CC=O)CC=O;LLJHDAWKHRRTAF-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304394;MM304394;C#CC=CCN(N)C(C)=O;SMWDNCGODWLPOJ-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304395;MM304395;C=CCC(=CC#N)CC=O;QDCZODRPSJIZTP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304396;MM304396;C=C(CC=CCC)C(C)C;PKKHSCJZZCCIJK-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304397;MM304397;C=CC=C(CC#N)CC#N;FTBNNIQUURMJPB-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304398;MM304398;C=C(CC=CCC)C(C)N;BMYYBOCKXOLDQX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304399;MM304399;N#CC=C(CC#N)CC=O;QHQGQEXYBARMLL-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304400;MM304400;CCOC=C(C)CNC=O;NEFIXLOWCGXRCB-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304401;MM304401;CC(C(N)=O)N1C(C)C1C;SBVDWZIXPUQJDC-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304402;MM304402;C=C(CC=CCN)C(C)O;AIVDFCYEKHXPFA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304403;MM304403;C=NN=C(CC#N)CC#N;FIDSGFLNPGEPBC-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304404;MM304404;C=C(CC=CCC)C(C)F;VEPGXLDVQNYKMO-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304405;MM304405;N=CNC(=CC=O)CC=O;YCDKZONQDHNOCP-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304406;MM304406;C=C(CC=CCN)C(C)F;KOFJEMBDPNUBCE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304407;MM304407;N#CCC(=CC=O)NC=N;XXYSJEDNJQDUAM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304408;MM304408;C=C(CC=CCF)C(C)F;BTBRUWGRTINZRP-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304409;MM304409;C=CC=C(CC#N)NC=O;OEMORXBPRRUIBK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304410;MM304410;CCC=CCC(=O)C(C)C;SYJMZVXDKRQGCC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304411;MM304411;C#CC(CC)=NOCC=O;MYHAWJBQYPUSKF-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304412;MM304412;CCC=CCC(=O)C(C)O;QFRGXIFHSMEPPH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304413;MM304413;CCCC1NC1C(=O)C=O;IRZQTALPJRNGFG-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304414;MM304414;CCC=CCC(=O)C(C)F;BXRVGXWJSFPPHY-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304415;MM304415;C=CCC(=NC=C)NC=N;IYNKVZYYBJQLMS-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304416;MM304416;C=C(CC=NNC)C(C)N;BLLMMLYYWRQQNP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304417;MM304417;CCCOCCCNC=O;PLIPIIGTMUEOGP-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304418;MM304418;CCOCC=CC(=O)NC;IUSKCQJBLFCYDH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304419;MM304419;C=CN=C(CC#N)NC=N;WRQMUSSAVHHHBR-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304420;MM304420;C#CC(ON=C)C(F)C=C;AETAGCBRFSYVEW-UHFFFAOYSA-N;141.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304421;MM304421;N=CN=C(CC=O)NC=N;HNNWGQJDJDDJHV-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304422;MM304422;C=C(CC=NOC)C(C)C;LJWDTNYGGOVXMG-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304423;MM304423;N=CN=C(CC=O)NC=O;ARACNLYASKOZRE-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304424;MM304424;C=CC(C#CC)CNC=O;VYBXSJQVCKXCFL-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304425;MM304425;N#CCC(=NC=N)NC=O;IGNWDAJLDZBWQE-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304426;MM304426;CC=C(CNC=O)COC;CTUXOOCDEQKVGP-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304427;MM304427;N#CCC(=NC=O)NC=O;BKMDVFFJSISMOQ-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304428;MM304428;CCC=CNC(=N)C(C)C;UXLMYZWPWGZVAH-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304429;MM304429;COCC=NOCCC=O;USVMEDPRLHWYJO-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304430;MM304430;CC(C)C(=N)NC=CCN;OLWUGTPWGHLYQT-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304431;MM304431;C=CCC=NOCCC=O;CBUQRQBYAKTJBP-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304432;MM304432;CC(N)C(=N)NC=CCN;LFDPPODUVAYCDM-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304433;MM304433;C=NN=C(CC#N)NN=C;LTFDXBUNCYYTGB-UHFFFAOYSA-N;137.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304434;MM304434;CC(O)C(=N)NC=CCN;PDNUBMNMIQIPSJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304435;MM304435;C=COC(=CC#N)CC#N;XTSYTNVVAXLGHT-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304436;MM304436;CC(O)C(=N)NC=CCO;VPCNPDIPZKOIFZ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304437;MM304437;N#CC=C(CC#N)OC=O;QCBOAJUCXNETRI-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304438;MM304438;CCC=CNC(=O)C(C)C;DUJJTVCFUAHSOV-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304439;MM304439;C=COC(CC#N)=NN=C;IVORRDVUBGMKTL-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304440;MM304440;CC(O)C(=O)NC=CCN;AFHFLALISWTTJN-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304441;MM304441;C=NN=C(CC#N)OC=O;MHUNXQUMDVNFEW-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304442;MM304442;CC(O)C(=O)NC=CCO;DHFABOVFGCQTMX-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304443;MM304443;C=NN=C(CC#N)ON=C;DETNMLCRAGCMFY-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304444;MM304444;CC(O)C(=O)NC=CCF;SQWIXKKSQFREEW-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304445;MM304445;N=CNC(=CC=O)NC=N;BYPIYRCDEILGMH-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304446;MM304446;CC(F)C(=O)NC=CCO;CRUIWSNSJUQWFC-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304447;MM304447;N=CNC(=CC=O)NC=O;BEJSGJJJXYDAGT-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304448;MM304448;COC=CNC(=N)C(C)C;VCWDQDIIHROXED-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304449;MM304449;N#CC=C(NC=N)NC=O;KVSMLLARRXAEQU-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304450;MM304450;COC=CNC(=N)C(C)N;TWDPXIXBTYZFDO-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304451;MM304451;O=CC=C(NC=O)NC=O;NOFVQXRUQSYADQ-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304452;MM304452;COC=CNC(=O)C(C)O;MTPVMZCRIVKHFO-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304453;MM304453;CON=CC(F)F;SCVFPRWOSCUWAB-UHFFFAOYSA-N;109.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304454;MM304454;COC=CNC(=O)C(F)F;VOVNMVJRQLJDRQ-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304455;MM304455;CC=CCNC=O;WMKYEDROLHNJEW-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304456;MM304456;CCN=CNC(=N)C(C)C;QLKFTCGDNBQXIS-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304457;MM304457;CCON=CC(F)F;ZDWSNGBGEIGEPF-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304458;MM304458;CCN=CNC(=N)C(C)N;LHDJFSCSZILUKF-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304459;MM304459;N=CN=C(NC=N)NC=O;XDDCCTKCWXELHO-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304460;MM304460;CCN=CNC(=N)C(C)O;FBSCFAWWQYCXPF-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304461;MM304461;N=CNC(=NC=O)NC=O;NSUIWTHRYGXDIO-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304462;MM304462;CCN=CNC(=O)C(C)F;HENLFGVBTJLATJ-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304463;MM304463;C=C(CC)C(=O)NC;WNGJXZAZBJIYFZ-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304464;MM304464;C=CNC(=NN=C)NC=N;HADURNJVIANPKM-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304465;MM304465;CCC(=COC)CNC=O;VPYTVQLAKCXGDT-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304466;MM304466;O=CNCCC1CC1;MKIRSXPBLAPSQZ-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304467;MM304467;CNN=CNC(=O)C(C)F;PECTWFSQGKKOOP-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304468;MM304468;C=NN=C(NC=O)NN=C;SACWIQUKIXDNOU-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304469;MM304469;CCC1C(C)C1NC(C)=O;HGHODKVVEHIQDQ-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304470;MM304470;C=CC=C(NC=N)OC=O;UHVWSCXPWPEZDN-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304471;MM304471;COC1(CCNC=O)CC1;LEBQONGDHRHJJO-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304472;MM304472;C=CC=C(NC=O)OC=C;FFTLREVVLBCBCC-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304473;MM304473;CCC=NNC(=O)C(C)O;QUXTZFPQSLHLSS-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304474;MM304474;C=CC=C(NC=O)OC=O;LOQWPJWSHCXGHD-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304475;MM304475;CCC=NNC(=O)C(F)F;USERYYRQMPNISZ-UHFFFAOYSA-N;150.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304476;MM304476;CC(C)ON=CC(F)F;QHNLJQPILBDNCV-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304477;MM304477;O=C(NN=CCF)C(F)F;CQQDSARAMNHSMF-UHFFFAOYSA-N;154.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304478;MM304478;CCCC(C)NC(C)=O;GIJSDXXWCVQKQM-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304479;MM304479;COC=NNC(=O)C(C)F;BLKOWRIKAXRRKG-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304480;MM304480;C=CC(C)CNC(C)=O;MHJRXGJYTODVKN-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304481;MM304481;C=C(OC=CCN)C(C)N;WAUGYKIPEKMZJY-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304482;MM304482;N=CN=C(NC=O)OC=O;YAJJOMSVIQFAJP-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304483;MM304483;C=C(OC=CCO)C(C)N;QVLMVESPUYNPND-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304484;MM304484;C=NOC(=NC=O)NC=O;RJBDWSGQHQPZSZ-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304485;MM304485;C=C(OC=CCN)C(C)O;XTRNDBKMKIKZOK-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304486;MM304486;C=CC(=O)NCC(C)C;PBSASXNAZJHOBR-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304487;MM304487;CC(O)C(=O)OC=CCN;DSXVWQMFTWAPHE-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304488;MM304488;NN=CCC=CC(N)=O;NYDLPLUPQLQVNC-UHFFFAOYSA-N;127.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304489;MM304489;CC(F)C(=O)OC=CCN;CEWKBQTVCATTJC-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304490;MM304490;CC=NN=C(N)CC=O;NZIWLJHIHLMMBO-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304491;MM304491;C=C(OC=COC)C(C)N;OQFYODNGDWLOGW-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304492;MM304492;C#CC=C(CC#N)CC=C;MFRSIFVCZKZWJF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304493;MM304493;C=C(OC=COC)C(C)O;FNFJRZXQGWYSOC-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304494;MM304494;C#CC=C(CC#N)CC#N;NVBWPOVROCMEQL-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304495;MM304495;CNN=COC(=O)C(C)O;LVMSFAGTLNBZMG-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304496;MM304496;C#CC=C(CC=C)NC=N;CCNIGOGAOPRCGJ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304498;MM304498;C#CC=C(CC=O)NC=N;DDJBYPXWWMYDRA-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304497;MM304497;CCC1(CCNC=O)CO1;PPWLUXITYJCVPV-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304499;MM304499;C#CC=C(NC=N)NC=O;UPMRNHZDGLPQQW-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304500;MM304500;CC(N)C(=O)ON=CCN;KHEYEKBCZZIWDF-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304501;MM304501;C#CC=C(NC=O)NC=O;UXSSOMMJXNKTCW-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304502;MM304502;CC(O)C(=O)ON=CCO;SDKFDLBLMBMBOF-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304503;MM304503;C#CC=C(NC=N)OC=C;CEDKPWFSUJWDQU-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304504;MM304504;CCC=CCC(=N)N(C)N;GCHXNIONUWXFPZ-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304505;MM304505;CC=CC(=O)NCCC;FRUXUNBAWSGQAB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304506;MM304506;CN(N)C(=N)CC=CCO;UIWZOZIJKVDZGJ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304507;MM304507;C#CCC(=CCN)NC=N;ULVJEVALGIDUGU-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304508;MM304508;CN(N)C(=N)CC=CCF;UKVHQUNPFQGQCI-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304509;MM304509;C#CCC(=CCN)NC=O;CTFHYXFJTOINQR-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304510;MM304510;CCC=CCC(=N)N(C)O;WOADPUKBSNWNFL-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304511;MM304511;C#CCC(=CCO)OC=O;HWKQFIKQWPFYIN-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304512;MM304512;CCC=CCC(=O)N(C)C;IYIAYDOBDLJVRC-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304513;MM304513;C#CCC(=COC)OC=C;COGRFWDUMBACFW-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304514;MM304514;CN(C)C(=O)CC=CCN;HAPHZOIQQQKDNX-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304515;MM304515;C#CCC(=NOC)OC=C;HRMYTFVRCBKGKL-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304516;MM304516;CN(C)C(=O)CC=CCO;HOTAJNHZNDGGKQ-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304517;MM304517;C#CCC(=NOC)OC=O;UBYLYWJJRLIJFW-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304518;MM304518;CN(C)C(=O)CC=CCF;RQUKSOOJQPLISW-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304519;MM304519;C#CCC(=NOC)ON=C;ZKPYEIIEYFSPRW-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304520;MM304520;CN(N)C(=O)CC=CCF;QSAMTFAKGDBIGO-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304521;MM304521;C#CCC(=CC=C)CC=C;OCNKWVKKDWSQQP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304522;MM304522;CN(O)C(=O)CC=CCF;NVTYRMVSWIKJLO-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304523;MM304523;C#CCC(=CC#N)CC=C;CXRSDNRKYMAODG-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304524;MM304524;CON=CCC(=N)N(C)O;ZDIQZYKMURSUAB-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304525;MM304525;C#CCC(=CC=C)CC#N;GLPVPASCFDLRDL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304526;MM304526;CCC=CNC(=N)N(C)C;TWSFOHAFHXILOZ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304527;MM304527;CN(C)C(=N)NC=CCN;REGBCMFBVQPMSB-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304528;MM304528;C#CCC(=CC=O)CC#N;DVWULSMYLKNNHZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304529;MM304529;CCC=CNC(=N)N(C)N;IZJJGXVDJGCTTP-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304530;MM304530;C#CCC(=CC#N)CC#N;RFFVGUOZASJVNW-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304531;MM304531;CN(N)C(=N)NC=CCO;AGNKUQZTIPASQL-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304532;MM304532;C#CCC(=CC=C)NC=N;MHKLSVIKAMNTPS-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304533;MM304533;CCC=CNC(=N)N(C)O;SFRRIEPPZNJHSD-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304534;MM304534;C#CCC(=CC=O)NC=N;GAIKJSSTYVMTQI-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304535;MM304535;CN(O)C(=N)NC=CCO;HNVXQBTXKWNWAJ-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304536;MM304536;C#CCC(=NC=N)NC=O;WGURFGCRZGYCHV-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304537;MM304537;CN(C)C(=O)NC=CCN;TZZHXTFRJGWVPC-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304538;MM304538;C#CC=C(CC#C)CC=C;ARAAKFSVZIQOIK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304539;MM304539;C=CC1(C(C)NC=O)CN1;SXDBJWBDPLWMAB-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304540;MM304540;C#CC=C(CC#C)CC#N;ZXAITCQMLSERDZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304541;MM304541;CN(O)C(=O)NC=CCO;ZBSMSMGGHAEVOQ-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304542;MM304542;C#CC=C(CC#C)NC=N;CEJBKLWYJRNPDB-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304543;MM304543;COC=CNC(=O)N(C)C;VCXMTGJAXFYWNN-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304544;MM304544;C#CC=C(CC#C)NC=O;PTWPTXUAZOKQBK-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304545;MM304545;CCN1C=NC(=NC=N)C1;NMYBPWJSVSZJQC-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304546;MM304546;C#CCC(=CCF)CC#C;UIZOFKUOMCXTCN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304547;MM304547;COC=CNC(=O)N(C)O;WVTXUJZLFOUFLP-UHFFFAOYSA-N;146.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304548;MM304548;C#CCC(CC#C)=NOC;CSLGFHIJOZYTDW-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304549;MM304549;CCN=CNC(=N)N(C)C;WJRNWSULCYATKZ-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304550;MM304550;C#CCC(=CC=C)CC#C;FCSONWQHTQIWII-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304551;MM304551;CCN=CNC(=N)N(C)O;VVOIWVMBJILDLH-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304552;MM304552;C#CCC(=CC=O)CC#C;XBUOPSQVJSJXIA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304553;MM304553;C#CC1=NCC(=NN=C)N1;QGAXRTMJLNVPTE-UHFFFAOYSA-N;134.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304554;MM304554;C#CCC(=CC#N)CC#C;OCWBZVTVAAKSHN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304555;MM304555;CNN=CNC(=O)N(C)C;RJRBPPHHKZJAQU-UHFFFAOYSA-N;144.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304556;MM304556;C#CC=C(CC#C)CC#C;RIEKHXQLODGIJT-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304557;MM304557;CON=CNC(=N)N(C)C;OLLRVPFATGWQRZ-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304558;MM304558;CC=CC(=CCN)CCN;RLSDVWJWDKLNMU-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304559;MM304559;CN(N)C(=N)NN=CCF;DQTULGBLFAESAS-UHFFFAOYSA-N;147.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304560;MM304560;NCC=C(C=CF)CCN;GGQYKZGXXGILMP-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304561;MM304561;CCC=NNC(=O)N(C)C;KQHWBXALKAAVLH-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304562;MM304562;NCC=C(C=CF)CCF;BYQYIMMINXACBT-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304563;MM304563;C=CC1NC1CC(=O)NC;PMAQOFQUNFSWLX-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304564;MM304564;CCC=CC(=O)NCC;GPOXWKRKVUMBRO-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304565;MM304565;CCC=NNC(=O)N(C)O;QWEIPKONVZQGHO-UHFFFAOYSA-N;145.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304566;MM304566;OCCC(C=NO)=CCF;WSYWGOKJFUJOCL-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304567;MM304567;C#Cc1[nH]nc(OC)c1N;XTILOQKJIVGZDD-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304568;MM304568;OCC=C(C=NO)CCF;IZRDVULPZWYMPS-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304569;MM304569;CN(C)C(=O)ON=CCN;UCIAJFWYXPPGLS-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304570;MM304570;COC=C(C=NO)CCN;BPBVSLLVMXWFHM-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304571;MM304571;CCC=NOC(=O)N(C)N;ZZQQCAHENQLLAH-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304572;MM304572;CC=CC(=CCN)CNC;QQKNKAHXCHFMBU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304573;MM304573;C=C(CC=CC=O)C(C)C;HVROQZAOTSHMKE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304574;MM304574;CCC=C(C=NN)CNC;CDNLHYISWNRPRY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304575;MM304575;C=C(CC=CC#N)C(C)C;SNWLMXSHCOTNID-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304576;MM304576;CNCC(C=NN)=CCO;WDXLLYCOGQDAQX-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304577;MM304577;C=C(CC=CC=O)C(C)F;ALTDWPAFGMMERY-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304578;MM304578;CNCC(C=NO)=CCO;ZRYFLDOXVRCAES-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304579;MM304579;CC(C)C(=O)CC=CC#N;JWBVHINQKLSIEF-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304580;MM304580;CNCC(C=NO)=CCF;XJWUYLKJHFLHQF-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304581;MM304581;C=CC=CCC(=O)C(C)O;AYHHRWXSCFPDDS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304582;MM304582;CCCC(C=CF)=NNC;ASKYPAOYLWEICN-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304583;MM304583;C=NN=CCC(=C)C(C)C;NPHROFQFODSYAG-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304584;MM304584;CNN=C(C=CF)CCN;AKUOPMAGRQFDKZ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304585;MM304585;NC(=O)CN1CC1;WWUCYCYSEUEANO-UHFFFAOYSA-N;100.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304586;MM304586;C#CCCC(=C)C(N)=O;NEFWJCWHNPZDPC-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304587;MM304587;CC(C)C(=N)NC=CC=O;BNMJHRLBLJZTLB-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304588;MM304588;CON=C(C=CF)CCF;SJWKHXIZEDZSMP-UHFFFAOYSA-N;149.14;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304589;MM304589;CC(C)C(=N)NC=CC#N;KLNKGCWPJLGLMI-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304590;MM304590;CON=C(C=NO)CCF;ZRNDLRCFLQFNOK-UHFFFAOYSA-N;148.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304591;MM304591;CN1C(C=O)C1C=O;PRJARDJXKXNBSN-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304592;MM304592;CNN=C(C=NO)COC;SGWBXZLFFYYDGV-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304593;MM304593;C=CC=CNC(=O)C(C)O;CXDMRHWDAQSLEY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304594;MM304594;COCC(C=NO)=NOC;YJHOYVFRWKLIBT-UHFFFAOYSA-N;146.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304595;MM304595;CC(O)C(=O)NC=CC#N;JPWZNLQEHMMSIB-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304596;MM304596;CCN=C(N)C(=O)CF;UZIVBCLDHBHENV-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304597;MM304597;C=C(N=CNC=N)C(C)O;KPXIMOTVAHMTPR-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304598;MM304598;CN=C1CN=C(CF)N1;NCBGLOPPOLHTFP-UHFFFAOYSA-N;129.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304599;MM304599;C=C(N=CNC=N)C(C)F;SYXBERVOLRXIDR-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304600;MM304600;CN=C1CN=C(C#N)N1;JXUBTXUQVIZYHO-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304601;MM304601;C=C(N=CNC=O)C(F)F;DFMPEQYPIXVEBM-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304602;MM304602;CC#CC=NOCC=O;SBGVHNCESOXUQG-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304603;MM304603;CC(O)C(=N)N=CNC=N;YWAHTCCCFHCZHX-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304604;MM304604;CNN=C(C=NO)NOC;JURFMSSDGPIQGN-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304605;MM304605;CC(O)C(=N)N=CNC=O;WJRBUTBQGQOTPB-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304606;MM304606;C=C(C)CC(=O)C=C(N)N;UREWSIDSOJQJEO-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304607;MM304607;CC(F)C(=N)N=CNC=N;MNWCWRHFOXAUNY-UHFFFAOYSA-N;144.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304608;MM304608;CCOC(C=NN)=COC;DYHOJASKKFHISS-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304609;MM304609;CC(F)C(=O)NC=NC=N;QYGXRHJZHVWCAT-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304610;MM304610;CCOC(C=NO)=COC;BJTLZOPSIBZJSA-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304611;MM304611;CC(=O)C=C(C)C(N)=O;XIHHVSAGUQSVAN-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304612;MM304612;CCOC(C=CN)=NOC;SZIORQXRRBGWKR-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304613;MM304613;C=NN=CNC(=N)C(C)C;HIFGCDPLGWCOCJ-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304614;MM304614;C#CC(C)(C)C(=C)C(N)=O;ZSIHORXDZSWQEG-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304615;MM304615;C=NN=CNC(=O)C(C)C;HDTBLBXQBJNLRD-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304616;MM304616;CC(C)(C=CC(N)=O)CF;WPJYRSUBTQHXQX-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304617;MM304617;CC#CC(C)=CC(N)=O;PASGWYCZQOVRTQ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304618;MM304618;C=CC=C(C=CF)CCN;AILBQWXGPJJNBN-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304619;MM304619;C=CC(=C)CNC(C)=O;OJHZHSXYPHEOAB-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304620;MM304620;C=CC=C(C=NO)CCF;FMMRWOMTOXJUAU-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304621;MM304621;C=CC(=O)NCC(=C)C;AUROAWBLRUIMJD-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304622;MM304622;CC=CC(=CC#N)CNC;BTOHTUBFEQVMLN-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304623;MM304623;C#CC(=C)C=CC(N)=O;DFTLHPDSLLLZKY-UHFFFAOYSA-N;121.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304624;MM304624;C=CC=C(C=NO)CNC;ZJCDFFJWNJJHNL-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304625;MM304625;CC(F)C(=O)NN=CC=O;VXPHSQMPFUCGOS-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304626;MM304626;C=NN=C(C=CN)CCN;VLHSTQADMZYLAL-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304627;MM304627;N#CC=NNC(=O)C(F)F;VKSFEWGODJIYGC-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304628;MM304628;C=NN=C(C=CF)CCF;GNXVRZPEWSDYHQ-UHFFFAOYSA-N;146.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304629;MM304629;C=CC=COC(=C)C(C)C;LDNPKIDYNYSUGP-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304630;MM304630;CC(F)CCC=CC(N)=O;VZUVRRDCVZIHFZ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304631;MM304631;C=C(OC=CC#N)C(C)C;HUUXUPCAXAGOHD-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304632;MM304632;CC=CC(=NNC)NC=O;MHQOKUGPBNKTOT-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304633;MM304633;C=C(OC=CC#N)C(C)O;JBSRRMMGUPMXTE-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304634;MM304634;CNN=C(C=CN)NC=N;NQHUEZOSKQFCJX-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304635;MM304635;C=C(OC=CC#N)C(C)F;ZBUXKJNBQOVRSR-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304636;MM304636;CNN=C(C=CN)NC=O;DTTSQHFKUKDDQE-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304637;MM304637;C=NN=COC(=C)C(C)N;QNKWFSUMGRANJC-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304638;MM304638;CNN=C(C=CF)NC=O;OBLXBETVMHUMHY-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304639;MM304639;C=NN=COC(=C)C(C)O;CSWBMWMAFODSMH-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304640;MM304640;C=C(C)COC=CC(N)=O;XMGCFFXFKNCEGS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304641;MM304641;C=NN=COC(=C)C(F)F;KERSGAWTYAVCGD-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304642;MM304642;CON=C(C=CN)NC=O;RMVMXLACDUROBX-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304643;MM304643;C=NN=COC(=O)C(C)C;DQZVKUCHMRPBPP-UHFFFAOYSA-N;142.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304644;MM304644;CON=C(C=NO)NC=O;IRQJVZRQFSAGNW-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304645;MM304645;CC(O)C(=O)ON=CC=O;RHEOOWHVVYUKEU-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304646;MM304646;CCOC(C=NO)=CC#N;DTCDNOFTKNOKDY-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304647;MM304647;CC(F)C(=O)ON=CC=O;DRDSTQPGSKRJFU-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304648;MM304648;C=NN=C(C=CN)OCC;IYOPOFONNNRZPK-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304649;MM304649;CC(F)C(=O)ON=CC#N;SKKHJILSWPWWSN-UHFFFAOYSA-N;144.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304650;MM304650;C#CC=C(C=CF)CCF;NUADCFTXRSWHHK-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304651;MM304651;O=CC=NOC(=O)C(F)F;AIPNFYDYTQAZKQ-UHFFFAOYSA-N;151.07;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304652;MM304652;C#CC=C(C=CC)CNC;TZGUGHZFGMEGKD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304653;MM304653;C=CC=CCC(=N)N(C)N;REDJVGIIYRJBLI-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304654;MM304654;C#CC=C(C=CF)CNC;SKNRGQWOAMFNLR-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304655;MM304655;C=CC=CCC(=O)N(C)C;PRHBKSOCQBHYHQ-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304656;MM304656;C=CCC(C=CF)=CCN;PDKWONGZFUHFGD-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304657;MM304657;C=CC=CCC(=O)N(C)N;NMLAIICLMMJNPE-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304658;MM304658;CCC=C(C=CF)CC=O;OBZGLBPZIQGMEM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304659;MM304659;C=NN=CCC(=N)N(C)C;XMQFSAKXAXRYDL-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304660;MM304660;O=CCC(C=CF)=CCF;YJBGEJQGACYFKF-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304661;MM304661;C=NN=CCC(=N)N(C)N;KBPWPKTVWZGMOS-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304662;MM304662;CN(N)C=NN=CC(F)F;JGZUVTXZEUHRAY-UHFFFAOYSA-N;150.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304663;MM304663;C=NN=CCC(=O)N(C)C;LTWBEXWUIGMUNC-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304664;MM304664;CCC=C(C=NO)CC=O;TVFQCBIXRHJVLB-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304665;MM304665;C=CC=CNC(=N)N(C)C;OMSRSBSWUYQQPZ-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304666;MM304666;CCC=C(C=NO)CC#N;AHSHCYQYYCPESI-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304667;MM304667;CN(C)C(=O)NC=CC=O;YAEITEPSIFGIAF-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304668;MM304668;COC=C(C=NO)CC=O;RWMLWTKAZWCEMM-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304669;MM304669;CN(O)C(=O)NC=CC=O;WGWDAHLVNMQPDP-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304670;MM304670;C#CC=C(C)CCC(N)=O;FJAHACCOPGYARO-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304671;MM304671;CN(C)C(=N)N=CNC=O;UDFPDCYPRMAWDG-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304672;MM304672;CC(C=CC(N)=O)CCF;JEYSVGZPUIGFAJ-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304673;MM304673;CN(N)C(=N)N=CNC=O;KKSHVHIBSYKBII-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304674;MM304674;CC=CC(=CCN)NC=N;FMFWLULRALFUMJ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304675;MM304675;CN(O)C(=N)N=CNC=O;KQIALVBWAKJEDS-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304676;MM304676;CC=CC(=CCO)NC=N;MGDKGDJYDWTBRC-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304677;MM304677;C=CCNC(=O)C=CC;RIVZZOYMBUEGBU-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304678;MM304678;CC=CC(=CCN)NC=O;VHGDUNGALQJFAX-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304679;MM304679;CN(N)C(=O)N=CNC=O;ZETBRNKDWFRCNM-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304680;MM304680;NCC=C(C=CF)NC=O;IHKUIVXHJRZOLR-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304681;MM304681;C=NN=CNC(=N)N(C)C;OPWROXYSIAXZPI-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304682;MM304682;COC=C(C=CF)NC=N;UCAQSYZLZPMYBB-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304683;MM304683;C=CC=NNC(=N)N(C)N;DFWTVCIZOBTSRY-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304684;MM304684;COC=C(C=CF)NC=O;JKSHLUNWMBTQLM-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304685;MM304685;CC(=CCC=O)C(N)=O;ZSOMUEYAXLQDSJ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304686;MM304686;N=CNC(C=NN)=CCF;WWPFHEFDQITWKE-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304687;MM304687;C=NN=COC(=O)N(C)C;LSSPAETYSXQLBZ-UHFFFAOYSA-N;143.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304688;MM304688;CC(C)=NN=C(N)CC=O;KMYCYNVGVFXGED-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304689;MM304689;C=NN=COC(=O)N(C)N;VAYDCZFQDCLKMN-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304690;MM304690;O=CNC(C=NO)=CCF;ZZZGVSUNEFNSDN-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304691;MM304691;C#CC1(C)NC1CC=O;BBQYKYYIMKDXIG-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304692;MM304692;CC(CF)CC=CC(N)=O;SLGSBSDVYNSYFI-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304693;MM304693;C#CC=CCC(=C)C(C)N;PJVOIIXQFPQIII-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304694;MM304694;C=CNC(C=CN)=NNC;RIUADILVDJPVPI-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304695;MM304695;C#CC=CCC(=C)C(C)F;NMWHWWOHKJMXSF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304696;MM304696;N#CCCON=CC(F)F;UFIUTYSJYZMQOE-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304697;MM304697;C#CC=CCC(=O)C(C)C;RRTKKDWJWVGFBX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304698;MM304698;C=COC(C=NO)=CCN;XQKMZSHBSGVKBF-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304699;MM304699;NC(=O)C=CCCCCF;ANSCAXXCQFSDFE-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304700;MM304700;C#CC=CCC(=O)C(C)F;IMSHUPHOYYOWAQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304701;MM304701;C#CC=CNC(=N)C(C)C;YLUPFNYGBAHGAM-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304702;MM304702;O=COC(C=NO)=CCO;JMKLWZBIVULPCE-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304703;MM304703;CCC(=CC=O)C(N)=O;IQTLYWPDGJLDSQ-UHFFFAOYSA-N;127.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304704;MM304704;C=COC(C=NC)=CNN;JRKWQHHYIFCCOA-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304705;MM304705;CC#CC1=NCC(=N)N1;FOCBFHDRDKMJMW-UHFFFAOYSA-N;121.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304706;MM304706;C=COC(C=NN)=COC;BWSNLLABOLVDCD-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304707;MM304707;C#CC=NNC(=O)C(F)F;BOADCEOBNGFAEJ-UHFFFAOYSA-N;146.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304708;MM304708;C=COC(C=NO)=COC;SNSHHQPZADFVDL-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304709;MM304709;C#CC=COC(=C)C(C)C;HDMLBWRMZGHQQX-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304710;MM304710;C=CCCNC(=O)CCC;CIJBEGZGXCCAFX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304711;MM304711;C#CC=COC(=C)C(C)N;VUBSUTSDQGXILC-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304712;MM304712;C=CC=NNC(=N)CC=O;LARICRHTOVIVNK-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304713;MM304713;C#CC=COC(=C)C(C)O;GWIDONJPILJINU-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304714;MM304714;CC=NNCC(=O)C(C)F;MQLHILKWMFQAET-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304715;MM304715;C#CC=COC(=C)C(F)F;GGIGCINAJTXZAC-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304716;MM304716;C=CC=C(C=CF)CC=O;NYNRGHQMUPUJQI-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304717;MM304717;C#CC=COC(=O)C(C)C;MBJJUKKNAIOVRP-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304718;MM304718;N#CC=C(C=CF)CC#N;SBGDXQUKKUQEJY-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304719;MM304719;C#CC=NOC(=O)C(C)F;MMRJVOOLXFQOOW-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304720;MM304720;C=CCC(C=NO)=CC=O;RMDZPZVTEXMVRQ-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304721;MM304721;CCNc1cnc(N)o1;QGAQVROXUNEBFB-UHFFFAOYSA-N;127.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304722;MM304722;C=NN=C(C=CN)CC#N;NJIJIZSULFBDGD-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304723;MM304723;C#CC=CCC(=N)N(C)N;APDCTVNQSKFKKG-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304724;MM304724;C=C(C(N)=O)C(C)C=NN;BRKHCUVIQLFINQ-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304725;MM304725;C=C(C)C(=C)CC=CCC;PZAIZTVESXUAEO-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304726;MM304726;C=CCC(C=NO)=NN=C;HQAYEWDRILVUKE-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304727;MM304727;C=C(CC=CCO)C(C)=O;VAWBBZDNCPWHCW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304728;MM304728;C=CC=C(C=NN)NC=N;YSWOSNJVGOKQNL-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304729;MM304729;C=C(CC=CCC)C(=N)N;KYZSVEQBFDWNJT-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304730;MM304730;C=CC=C(C=NO)NC=N;XLFMZRFCZLLFKX-UHFFFAOYSA-N;139.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304731;MM304731;C=C(CC=CCN)C(=N)N;ZDMVFLGJIVTGBL-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304732;MM304732;N#CC=C(C=NO)NC=N;OMNDOLJUDKJEDH-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304733;MM304733;C=C(CC=CCO)C(=N)N;JFCUIZFFWMLDFD-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304734;MM304734;N#CC=C(C=NO)NC=O;RAHDDGAZRLMSIH-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304735;MM304735;C=C(CC=CCF)C(=N)N;GMUCQIWHBUJCCV-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304736;MM304736;C=CN=C(C=CN)NC=O;POPFJQKSBPETPW-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304737;MM304737;O=CC1=NNC(C=O)C1;WSTXEYGIICUXHD-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304738;MM304738;N=CN=C(C=NN)NC=O;RKGAHGSOWDQGOT-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304739;MM304739;C=C(CC=CCC)C(=O)O;UDNFCMQMPKCQMY-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304740;MM304740;N=CN=C(C=NO)NC=O;SSQJFLMOVAMJIR-UHFFFAOYSA-N;142.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304741;MM304741;CNn1oc(=NO)[nH]c1=O;PDIUVAJZXZMPCU-UHFFFAOYSA-N;146.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304742;MM304742;NN=CC(=NC=O)NC=O;DRWYNBNPCBEDEK-UHFFFAOYSA-N;142.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304743;MM304743;C=C(F)C(=C)CC=CCO;GKRNZFSKFIMNCH-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304744;MM304744;O=CN=C(C=NO)NC=O;VVTSILOSFBYBQR-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304745;MM304745;C=C(C)C(=O)CC=CCO;WCLZTKSUPVTHHT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304746;MM304746;COC(C)CCCNC=O;IQSLWAJUGNLQKH-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304747;MM304747;C=C(C)C(=O)CC=CCF;KDELFMWCFGXXDK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304748;MM304748;CN1C(CC=O)C1(C)CF;NILHBOFKZBUZOO-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304749;MM304749;CC(=O)C(=O)CC=CCF;XRWGDGMJCLLPNS-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304750;MM304750;C=NN=C(C=NO)NN=C;OVHJQXVSMLHIDV-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304751;MM304751;C=C(F)C(=O)CC=CCO;UWFJJDUKEVPODU-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304752;MM304752;C=COC(C=CN)=NN=C;NZFJAPCGSJASCB-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304753;MM304753;CNC(=O)CCN1CC1;NIFXANCMFDIIGX-UHFFFAOYSA-N;128.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304754;MM304754;C#CC(C#N)NC=NN=C;UKHHJRJIFQCOAU-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304755;MM304755;COC=CCC(=O)C(N)=O;HEAXTAVGQHQPKZ-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304756;MM304756;C#CC=C(C=CC)CC#N;IOICZNPIENFZMQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304757;MM304757;C=C(C)C(=C)CC=NNC;USNFJNUBYJRLBZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304758;MM304758;C#CC=C(C=CF)CC=O;DGAOFISAIGOACU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304759;MM304759;C=C(F)CC(C)=CC(N)=O;XLBHZWWZFXRXGD-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304760;MM304760;C#CC=C(C=NO)CC#N;GFDZMWRZXUNKPM-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304761;MM304761;O=c1cc(O)nno1;NAEDKUNXMPTAMY-UHFFFAOYSA-N;114.06;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304762;MM304762;C=CC(C=C)=CCNC=O;OZERSJGKZPXMNJ-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304763;MM304763;CC(C)(CC=O)CNC=O;VPINVKXDUYCIDI-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304764;MM304764;C#CCC(C=NO)=CCN;YXNGQONCKZLWKJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304765;MM304765;C=C(C=CF)CCC(N)=O;ADZDXODBNWVEJG-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304766;MM304766;C#CCC(C=CC)=CC#N;DWAMEEULAJVTKJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304767;MM304767;C=C(C)C(=C)CC=NOC;MFMCZFJQWFMMIE-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304768;MM304768;C#CCC(C=NO)=CC#N;NKFFOHGMFFGKTH-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304769;MM304769;C=CC(C)NC(=O)CCC;USCHPBABVRHPCA-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304770;MM304770;C#CC=C(C=CC)CC#C;IJZMEHISUMJAET-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304771;MM304771;C=CC(C=CF)CC(N)=O;IMTQZPZSOZFIJM-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304772;MM304772;C#CC=C(C=NO)CC#C;JELMMTBSXNVQEL-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304773;MM304773;C=CC(C#CC)=CC(N)=O;YHBWZGPNHILSMV-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304774;MM304774;CC#CC(=CCN)CCN;KELVBYNGVDRHEP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304775;MM304775;CCC=CNC(=N)C(=N)N;VYXMKXQVPGRTTA-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304776;MM304776;CC#CC(=CCN)CCO;FNKIDMZDGFKZGI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304777;MM304777;N=C(N)C(=N)NC=CCN;XOGJUBXCEUQRPP-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304778;MM304778;CC#CC(=CCO)CNC;VINJPPKDMROFIZ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304779;MM304779;N=C(N)C(=N)NC=CCO;SYUQJVWFBZWYTP-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304780;MM304780;CC#CC(CCN)=NNC;WOQBJSZAHVIQLK-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304781;MM304781;N=C(N)C(=N)NC=CCF;DNFDSBSSDSMEAF-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304782;MM304782;CC#CC(COC)=NNC;IAWCZDCOFPIGGM-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304783;MM304783;C=NNC=NCCC(N)=O;WBJVYIGLCWZSPP-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304784;MM304784;CCC1(CC)CC1NC=O;AZFMAUVYUORPNJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304785;MM304785;CC(F)=COC=CC(=O)O;GSJWKUIBTCHQFC-UHFFFAOYSA-N;146.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304786;MM304786;CCCC1C(C)C1NC=O;DXDQRAKAQSSYNX-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304787;MM304787;N=c1nnoc(=O)[nH]1;NGOAEGNLAJFCMX-UHFFFAOYSA-N;114.06;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304788;MM304788;CC#CC(=COC)OCC;CYTGQFFSNHIDPF-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304789;MM304789;CCC=CNC(=O)C(C)=O;WUBBDAUBKNXMJK-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304790;MM304790;CCC#CC=NOCC=O;YYGUPUHFXLLZCK-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304791;MM304791;N=C(N)C(=O)NC=CCN;PBDIKVZWAFDOCK-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304792;MM304792;CC#CC(=NOC)OCC;GQHJOOKGQCIELF-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304793;MM304793;CCC=CNC(=O)C(N)=O;NQFUPTYWTGNQHI-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304794;MM304794;C=CC=C(C#CC)CNC;NSAWHJVQNXTQEV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304795;MM304795;NCC=CNC(=O)C(N)=O;PWODULQOKCUPJR-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304796;MM304796;CC#CC(=CC#N)NCC;WFRIOXLWIGBATN-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304797;MM304797;NC(=O)C(=O)NC=CCO;DMHWQYKDWRKGSV-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304798;MM304798;CC#CC(=NCC)NC=O;BXTNYDQCLWKZSG-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304799;MM304799;NC(=O)C(=O)NC=CCF;VKSWAQZHJYBKLC-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304800;MM304800;C#CC=C(C#CC)CCC;BEBVVUVEXKITNT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304801;MM304801;O=C(O)CC1(F)CC1O;NASLXPUNQORNFW-UHFFFAOYSA-N;134.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304802;MM304802;C#CC=C(C#CC)CCF;GDANZRCEJFDINX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304803;MM304803;COC=CNC(=N)C(=N)N;WMFVSDRMPKNFRI-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304804;MM304804;C#CC=C(C#CC)COC;ZGPLCOXXFXJVAN-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304805;MM304805;CCC#CCC(C)NC=O;SRNBKNCDARMDDG-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304806;MM304806;C=CCC(C#CC)=NNC;NNEITUIDDRMJOO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304807;MM304807;COC=CNC(=O)C(N)=O;PHCYVTLPQLKUFX-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304808;MM304808;O=CCON=CC#CCF;LVNQLWRHUMKYMK-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304809;MM304809;C=C(F)C(=O)NC=COC;ZYIPGPZWBVAULV-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304810;MM304810;CC#CC(=CCC)NC=O;XVOHBSIROKVWSC-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304811;MM304811;C=C(C)C(=N)NC=NCC;LLMKMBZONMCFIB-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304812;MM304812;CC#CC(=COC)NC=N;KCDNVUUPRWDKIL-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304813;MM304813;CCN=CNC(=N)C(=N)N;VFVZXEYPMYYAIX-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304814;MM304814;CC#CC(=COC)NC=O;OZKFSHJMKDDPEO-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304815;MM304815;CCOC(C)=CCNC=O;WZBSTJODLRBACO-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304816;MM304816;O=C(O)C1CC1O;SHFNREFETDKOIF-UHFFFAOYSA-N;102.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304817;MM304817;C=COC(C#CC)=COC;NHZNMZSTZJWQRM-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304818;MM304818;CCN=CNC(=O)C(N)=O;CAWVTCJCQYULOC-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304819;MM304819;C=CC#CC=NOCC=O;DDMPLPYMTYOCDO-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304820;MM304820;O=C(O)C(CO)CF;FPMUTHFJVBEUNC-UHFFFAOYSA-N;122.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304821;MM304821;C=COC(C#CC)=NOC;RFWLMTQEJYYCDW-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304822;MM304822;Nc1onc(F)c1O;HTOMDZWKRIDSKN-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304823;MM304823;CC#CC(=NOC)OC=O;CSGDLMOCDRGXPP-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304824;MM304824;CCNC(C(C)=O)C(F)F;CYJDDJMXFBOIQD-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304825;MM304825;C=NOC(C#CC)=NOC;PDELQZZTLXZNNR-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304826;MM304826;Oc1cc(F)on1;ONDCOXQXEXHEQI-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304827;MM304827;C=CCC(C#CC)=CC#N;RZEKVPLSBDGXMJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304828;MM304828;CCC1(CF)CC1C(N)=O;XJGYONHDGWEAPA-UHFFFAOYSA-N;145.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304829;MM304829;CC#CC(=CC#N)CC#N;CGMUKPFMGMYHEZ-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304830;MM304830;CON=CNC(=O)C(N)=O;VZCNVPWGUMERMS-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304831;MM304831;CC#CC(=CC#N)NC=N;ZXLJNCVALMNLKS-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304832;MM304832;CNC(=O)C=CCCCO;ZIOZUJMWQNJDMK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304833;MM304833;CC#CC(=CC#N)NC=O;BFRHRLXVZPKEFP-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304834;MM304834;N=C(N)C(=N)NN=CCF;KZIWUBZEDAEOKI-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304835;MM304835;O=CC#CC=NOCC=O;ODIGMVWJGSCGPN-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304836;MM304836;C=NN(C(C)=N)C(C)C=O;BXVHIBHZBPYRNV-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304837;MM304837;C=CN=C(C#CC)NC=O;RARGSCUDEAMHGO-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304838;MM304838;CC(=O)C(=O)NN=CCO;VKISIZJVJPGZFI-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304839;MM304839;C=COC(C#CC)=CC#N;JVKCYSGXAOJLFN-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304840;MM304840;CC(=O)C(=O)NN=CCF;JGHWWYSJKGJJFZ-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304841;MM304841;C=COC(C#CC)=NN=C;LHWYGCRRZCECFA-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304842;MM304842;C=CC(=NNCC=O)OC;WTNFSTRLSZCXQY-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304843;MM304843;C#CC=C(C#CC)CC#N;XSSRRYVHBNQSME-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304844;MM304844;NCC=NNC(=O)C(N)=O;XEVCNQKGYXCUPX-UHFFFAOYSA-N;144.13;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304845;MM304845;C#CC=C(C#CC)NC=N;PYMGUPOYPKOIBK-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304846;MM304846;NC(=O)C(=O)NN=CCF;OCZAGUCCYXNSRL-UHFFFAOYSA-N;147.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304847;MM304847;C#CC=C(C#CC)NC=O;TVRLDVJHWOPJHJ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304848;MM304848;C=Cc1onc(O)c1O;BIUUZILSSFWXST-UHFFFAOYSA-N;127.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304849;MM304849;C#CC=C(C#CC)OC=C;FVSKWGMVFGSCHA-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304850;MM304850;C=C(F)C(=O)NN=CCC;YZYXUUBKNDVUAG-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304851;MM304851;C#CCC(C#CC)=CCC;ZYJQDLBUAPSFPU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304852;MM304852;C=C(F)C(=O)NN=CCO;ALIJCSPEZVOPTG-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304853;MM304853;C#CCC(C#CC)=CCN;QIWFRSHWTNGDLD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304854;MM304854;CCCN1C=NC(=NC)C1;QVDSACUWIOWKJL-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304855;MM304855;C#CCC(C#CC)=CC=C;XKTKLSAHDFOTAE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304856;MM304856;OCc1ncc(O)o1;CBYZDYSZLKEKIG-UHFFFAOYSA-N;115.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304857;MM304857;C#CCC(C#CC)=CC#N;KRXKYYYPPUHVQI-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304858;MM304858;C#Cc1c[nH]c(NC)c1F;YDUWDADVMPWOIE-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304859;MM304859;C#CC=C(C#CC)CC#C;IEWYSMKNMXBYPB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304860;MM304860;C=C(F)C(=O)NN=COC;QGTPRMCKONBWLV-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304861;MM304861;CC=CC(C=CF)=CCN;IUWOTMVXDPKKOP-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304862;MM304862;C=C(OC=CCF)C(C)=O;UZWQHUWJCJVABZ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304863;MM304863;NCC=C(C=CF)C=CF;CECXEDWLHXKVSF-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304864;MM304864;C=C(OC=CCC)C(=N)N;QBYRWEFYRXWJQO-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304865;MM304865;CCC=C(C=NO)C=NO;FRHMTKSXOLYMLU-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304866;MM304866;C=C(OC=CCN)C(=N)N;HTNLHAFHLMAHPO-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304867;MM304867;CN=CC(C=NO)=CNN;IAZTUGLWMGXKSE-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304868;MM304868;C=C(OC=CCO)C(=N)N;BJTQTDWMSGOAJA-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304869;MM304869;N#CC#CC=NOCC=O;MKVVYAHBYNJUOC-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304870;MM304870;C=C(OC=CCO)C(N)=O;AFEOBBMCZKOFNC-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304871;MM304871;CNc1c[nH]cn1;HFAWKTWWZYNOPU-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304872;MM304872;Cn1nnc(O)c1O;UAVFALKGFUYMTR-UHFFFAOYSA-N;115.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304873;MM304873;CC=CC(C=CF)=CC=O;ZBDQLDZOJIETQU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304874;MM304874;CCC=COC(=O)C(=N)N;UBCBPAJNZDVYNV-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304875;MM304875;C=NN=C(C=CC)C=CF;UOTITRBFFFXCEC-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304876;MM304876;O=CNCCC=CCCO;CUDVZYBKANSWTI-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304877;MM304877;C=NN=C(C=CC)C=NO;SAEBSOXUGACSHR-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304878;MM304878;CCC=COC(=O)C(N)=O;IETKCLLCCNRCFV-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304879;MM304879;CC(C(N)=O)=C(N)N;HLORPPVNSXBFJN-UHFFFAOYSA-N;115.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304880;MM304880;NCC=COC(=O)C(N)=O;SFUQIRGGWYUCDM-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304881;MM304881;C=NN=C(C=CN)C=NO;XRXFOZFDZMNOQS-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304882;MM304882;NC(=O)C(=O)OC=CCO;HDUHLGWIDNKHML-UHFFFAOYSA-N;145.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304883;MM304883;CC#CC(C=CF)=CCO;PPCDAHSZKIPDST-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304884;MM304884;CN(CC(=O)O)NC=O;BGIJGEKSTUGWNK-UHFFFAOYSA-N;132.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304885;MM304885;O=CC=NOCC=O;OJYGGAYOZYQSRD-UHFFFAOYSA-N;115.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304886;MM304886;C=C(F)C(=C)OC=COC;IPIVDPUGMSJHLD-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304887;MM304887;CC#CC(C=NO)=CCN;QODRCORQXJJJRV-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304888;MM304888;CC1CC1NC=O;MLQTWRHEJIBUAW-UHFFFAOYSA-N;99.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304889;MM304889;CN(C(N)=O)C(C)(C)C;RTSUXCDLIDGDAG-UHFFFAOYSA-N;130.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304890;MM304890;CC1CC1(C)NC=O;BDIFTLDUYKJKST-UHFFFAOYSA-N;113.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304891;MM304891;C=CC=C(C#CC)C=CC;TVVXRGLTKWUUTF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304892;MM304892;C=C(F)C(=O)OC=NOC;DELKORZOJRNBKZ-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304893;MM304893;CC#CC(C=NO)=CC#N;MVVRZWLMUZQYJL-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304894;MM304894;N=C(N)C(=O)ON=CCN;BYVBKSMYQRWDGX-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304895;MM304895;C#CC=C(C#CC)C=CC;AWGTZAOTLTYMLT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304896;MM304896;C=CCNC(=O)CC;JVVWOKSULSIVFP-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304897;MM304897;C#CC=C(C#CC)C=NN;PCYFDSLIIRQMKA-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304898;MM304898;CCC1(NC=O)CC1;SUZSRMRRDNTEHC-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304899;MM304899;CC#CC(C#CC)=NNC;HDEFFVKXPCKBTR-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304900;MM304900;NCC=NOC(=O)C(N)=O;SZLFJDRQKAZNCB-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304901;MM304901;CC#CC(C#CC)=CC#N;RSYTVVXTUFDGAU-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304902;MM304902;NC(=O)C(=O)ON=CCF;BTCSJSYTLCYRPZ-UHFFFAOYSA-N;148.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304903;MM304903;C#CC=C(C#CC)C#CC;HVUYOSHKURHJFV-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304904;MM304904;C=C(F)C(=O)ON=CCN;KETBLZDFCYXRQU-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304905;MM304905;CC(C)C(CCN)CCF;IUIFSALBSUYGFC-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304906;MM304906;CNc1cc(C)[nH]n1;NHYRPJIYGAPVJL-UHFFFAOYSA-N;111.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304907;MM304907;CC(C)C(CCF)CCF;OWLNFPGKNKUQQW-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304908;MM304908;C=C(F)C(=O)ON=COC;GQWISACSLYUDDF-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304909;MM304909;CCCC(CCF)C(C)N;NBSYJJDCQSNQTD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304910;MM304910;C=CC=CCC(=C)C(C)=O;SUUWMTQJXPWLOG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304911;MM304911;CC(N)C(CCN)CCO;CEEBRTGYXCKKOS-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304912;MM304912;C=C(CC=CC=O)C(C)=O;AILUZNWAPGEGFD-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304913;MM304913;CC(N)C(CCF)CCF;UODSCYNJFXOREF-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304914;MM304914;C=CC=CCC(=C)C(=N)N;WFSINYSYBOPASQ-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304915;MM304915;CC(O)C(CCN)CCN;IPGXSNOQXKWUEX-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304916;MM304916;Cc1cc(NN)no1;UFAAMUSRAATBTD-UHFFFAOYSA-N;113.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304917;MM304917;CC(O)C(CCN)CCF;OEIHFPKXAJIXLJ-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304918;MM304918;Cc1c(F)noc1N;GVPLHYNAMNMOOY-UHFFFAOYSA-N;116.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304919;MM304919;C=C(C)C(C)NC(C)=O;SCVGGNRVLJJCNL-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304920;MM304920;CC(O)C(CCF)CCF;JJNQBQWTXUFNJP-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304921;MM304921;C=C(F)C(=C)CC=CC#N;HYKFJEYBRHUORS-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304922;MM304922;CC(F)C(CCO)CCF;WRRQHBIXZXHWSB-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304923;MM304923;C=CC=CCC(=O)C(=C)C;RACCADKXIODOQF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304924;MM304924;NCCC(CCF)C(F)F;UOSORQGOZZHWFI-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304925;MM304925;C=C(C)C(=O)CC=CC=O;IZDXQICZIQPGLI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304926;MM304926;OCCC(CCF)C(F)F;OBAMHLDDOJGEKN-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304927;MM304927;C=C(C)C(=O)CC=CC#N;MJQQENKGKLVMHX-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304928;MM304928;CNCC(CCN)C(C)C;XJINVISEJHIFQO-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304929;MM304929;C=CC=CCC(=O)C(C)=O;MJGKJRAGPONIKG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304930;MM304930;CNCC(CCO)C(C)C;VAAWKONFIKRYFJ-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304931;MM304931;CC(=O)C(=O)CC=CC#N;CONXUCSHYOAYAY-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304932;MM304932;CNCC(CCF)C(C)C;XTMPKCUNHWKUBK-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304933;MM304933;C=NN=CCC(=C)C(=C)C;AVNNVIXODPVILK-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304934;MM304934;CNCC(CCN)C(C)N;NTFFLLRBTLENHF-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304935;MM304935;CNCC(CCO)C(C)N;VNAHFGSLLHMRCU-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304936;MM304936;C=NN=CCC(=C)C(=N)N;HUTSVMJFWNYNMY-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304937;MM304937;CCCC(CNC)C(C)O;NFQXQLPVQWZQOZ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304938;MM304938;N=c1cc[nH]nnc1=N;XJNWFKQQSWGZFJ-UHFFFAOYSA-N;123.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304939;MM304939;CNCC(CCN)C(C)O;PTIPJVFNIKCKNC-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304940;MM304940;C=C(C=CC(N)=O)CO;UQAVIGZDSSABEI-UHFFFAOYSA-N;127.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304941;MM304941;CNCC(CCN)C(C)F;UCKCFTSNUXAPKO-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304942;MM304942;C=NN=CCC(=O)C(C)=O;SKCWPIYDIHXIDC-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304943;MM304943;CNCC(CCF)C(C)F;NSQGPEYLAGACJW-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304944;MM304944;C=C(C)C(=N)NC=CC#N;RACPRALYZUTFBC-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304945;MM304945;CCCC(CNC)C(F)F;FYQGHHUTILSPQL-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304946;MM304946;N=C(N)C(=N)NC=CC=O;DVAPJJGRGVYLGA-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304947;MM304947;CNCC(CCF)C(F)F;XONWXHMLUOHRHI-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304948;MM304948;N#CC=CNC(=N)C(=N)N;XQJOHKAJBBJEBI-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304949;MM304949;COCC(CCN)C(C)F;JZBUCAPTMRQDQV-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304950;MM304950;C=CC(CC)NC(C)=O;DVSMSDFWIDFGGG-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304951;MM304951;COCC(CCN)C(F)F;FFSAUMSBSAROCL-UHFFFAOYSA-N;153.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304952;MM304952;C#CCCC(C)NC=O;ZIERLRGPTAYBFE-UHFFFAOYSA-N;125.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304953;MM304953;CNCC(CNC)C(C)N;HNRIQJCNHBFVSC-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304954;MM304954;CN=c1nn[nH]ccc1=N;DYEKEUJUDHNTIT-UHFFFAOYSA-N;137.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304955;MM304955;CNCC(CNC)C(C)F;JAXCHFJDIADWLC-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304956;MM304956;C=C(C)C(=O)NC=CC=O;ZPFZSAQODZJVDV-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304957;MM304957;CCNC(CCN)C(C)C;AUUAIGLSDNLQJP-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304958;MM304958;C=C(C)C(=O)NC=CC#N;WJYGEVRANBAYBG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304959;MM304959;CCNC(CCO)C(C)C;YFHCNMJCKRHLLC-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304960;MM304960;CC(=O)C(=O)NC=CC=O;PSMYOXCTKKMFKD-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304961;MM304961;CCNC(CCF)C(C)C;LTYPJRPIGCFYKG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304962;MM304962;CC(=O)C(=O)NC=CC#N;MQCCXGJAVFTLGC-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304963;MM304963;CCCC(NCC)C(C)N;CVQPORNJTOPQPI-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304964;MM304964;NC(=O)C(=O)NC=CC=O;HYWQCWVYAKTLAR-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304965;MM304965;CCNC(CCF)C(C)F;XTWJZHLVNCQRKM-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304966;MM304966;CC#Cc1n[nH]c(=NN)o1;WKKAUNZRKVCXLJ-UHFFFAOYSA-N;138.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304967;MM304967;CCNC(CCN)C(F)F;DAVFIFSBISXQGJ-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304968;MM304968;O=C(O)CC=NOCCO;ZZXLZXHNCRGKPL-UHFFFAOYSA-N;147.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304969;MM304969;CCNC(CNC)C(C)C;UHGLPYXYTUSCBJ-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304970;MM304970;C=C(F)C(=O)NC=CC=O;XBZQVGHBTKCXQK-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304971;MM304971;CCNC(CNC)C(F)F;IJMVVYLDQCCQMY-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304972;MM304972;C=C(F)C(=O)NC=CC#N;LHJCGGBTWMXWSY-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304973;MM304973;CCOC(OCC)C(F)F;FFNSQINVTIZSPP-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304974;MM304974;C=C(N=CNC=N)C(N)=O;PEDJLPUSVPFCRM-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304975;MM304975;CN(C)C(CCN)CCN;TWFWUGPEOVSGMJ-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304976;MM304976;C=NN(CC=O)CC(=O)O;LXSGVTODPJMZFZ-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304977;MM304977;CN(C)C(CCN)CCF;PKVWYJOODUWIFV-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304978;MM304978;N=C(N=CNC=O)C(N)=O;GLUCJRVIUBWLPV-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304979;MM304979;CN(C)C(CCF)CCF;JLDMBBDDXPCWRV-UHFFFAOYSA-N;151.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304980;MM304980;C=Nn1ncc(C#N)c1O;YIPNFVYGKWJPTH-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304981;MM304981;CCCN(CCO)C(C)C;GYWWIDNDJPVOSH-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304982;MM304982;CN=c1c(F)c[nH]n1O;ZCPXIOYUJZYDAB-UHFFFAOYSA-N;131.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304983;MM304983;CC(C)C(CC=O)CCF;SSEFZZPZLIOLDY-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304984;MM304984;C=C(F)C(=N)N=CNC=O;PSELSYHCKFFOST-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304985;MM304985;C=CCC(CCO)C(C)N;KQNYSPUAKLBGDR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304986;MM304986;CC#CC(C)CNC=O;KQMABDMSPVKYPD-UHFFFAOYSA-N;125.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304987;MM304987;C=CCC(CCF)C(C)N;LGLKVBYIGXXNIE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304988;MM304988;N=CN=CNC(=O)C(N)=O;AUKKUQNPRAMOLQ-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304989;MM304989;C=CCC(CCN)C(C)O;MRISWENBGDQFNO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304990;MM304990;NC(=O)NOCCC(=O)O;YOLOERKEHUMPHB-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304991;MM304991;CCCC(CC=O)C(C)F;IDRGVMBPGDKGMZ-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304992;MM304992;C=C(F)C(=O)NC=NC=N;NOCOCOOUZIKUKO-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304993;MM304993;C=C(F)C(=O)N=CNC=O;HAOMGFCZAZDQNV-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304994;MM304994;C=CCC(CCN)C(C)F;IGFZHBCIPQMNFA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304995;MM304995;C=CC(=O)NCC=CC;BVEIWERADPNWDS-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304996;MM304996;CC(F)C(CC=O)CCF;HOEJOUSAVSTXRB-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304997;MM304997;C=NN=CNC(=N)C(=N)N;QCGMFFVTDCHBOC-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304998;MM304998;C=CCC(CCO)C(F)F;RLIRXETYLHDSME-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM304999;MM304999;CNc1cc(N)c(F)[nH]1;YIXIWXTUHBGKLI-UHFFFAOYSA-N;129.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305000;MM305000;O=CCC(CCF)C(F)F;NCRFNGAKIURXLA-UHFFFAOYSA-N;154.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305001;MM305001;N=C(N)C(=N)NN=CC=O;YERKJUSIIHXOGP-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305002;MM305002;C=CCC(CNC)C(C)C;FEXHDYYTHLFDOX-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305003;MM305003;COc1cc(C)c(N)[nH]1;ALQVHBTUXKMJJR-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305004;MM305004;CNCC(CC=O)C(C)C;UOQOIFNLTFURHG-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305005;MM305005;O=CC1=NCC(C=O)N1;SMZVXRZHFFMUKM-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305006;MM305006;C=CCC(CNC)C(C)O;QOSMZHQORYNXRS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305007;MM305007;C=CC=NNC(=O)C(C)=O;AOKCJLHEISFYPK-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305008;MM305008;C=CCC(CNC)C(C)F;DVDVPBCQYKEDHV-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305009;MM305009;CC(=O)C(=O)NN=CC=O;OFISGXDYEXEMHK-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305010;MM305010;C=CCC(CNC)C(F)F;GRMYMIBSFOPJRZ-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305011;MM305011;CCc1c[nH]c(N=N)c1;QCNLTEMMXCNMCC-UHFFFAOYSA-N;123.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305012;MM305012;C=C(C)CCNC(C)=O;DESAVGBVIWDXPL-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305013;MM305013;C=C(C(=O)O)C(O)CO;OIWJREZAJZVGQN-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305014;MM305014;CC=CCCNC(C)=O;XIFXZONHQOGDQB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305015;MM305015;C=C(F)C(=O)NN=CC=O;CRPDLLMBUWWGNE-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305016;MM305016;CC(C)C(CCF)NC=N;RFYPIXAHLHBBSV-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305017;MM305017;C=C(F)C(=O)NN=CC#N;ZDYYVLHJJKRMDP-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305018;MM305018;C=C(C=CC)CNC=O;XGKZMEZUXNYKBB-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305019;MM305019;C=CC=COC(=C)C(N)=O;WDMXLIJBYCQQLX-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305020;MM305020;CCCC(NC=N)C(C)F;XFAPMDGOBKUJRA-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305021;MM305021;C=C(OC=CC=O)C(N)=O;DCGCUXPCDQBRFU-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305022;MM305022;CC(F)C(CCF)NC=O;WDGHNLOUHHJWEK-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305023;MM305023;Cn1nnc(O)nc1=NO;YVMZGDHIYVLKQK-UHFFFAOYSA-N;143.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305024;MM305024;C=NNC(CCC)C(C)C;LTHJZONYHXMCQE-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305025;MM305025;C=CC=COC(=O)C(C)=O;QCVWICRFZJDHPU-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305026;MM305026;C=NNC(CCF)C(C)C;YBEOTLNZWCAGTK-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305027;MM305027;C=CC=COC(=O)C(N)=O;COVQSYPYZPBMEG-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305028;MM305028;C=NNC(CCO)C(C)N;ILSIUHSKDUCWGE-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305029;MM305029;C#Cc1n[nH]n(CC)c1=O;BSZLPFLHTNWRFZ-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305030;MM305030;C=NNC(CCN)C(C)O;DBFDHSFCYXQWHS-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305031;MM305031;CC(F)C(C)(C)CNC=O;UAVUQSFJPHFSTC-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305032;MM305032;C=NNC(CCN)C(F)F;RHJQZZKFQBZWBJ-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305033;MM305033;N=C(N)C(=O)ON=CC=O;QIKYGESLAXKJRD-UHFFFAOYSA-N;143.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305034;MM305034;C=NNC(CNC)C(C)N;VBRZZRKANILESA-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305035;MM305035;NC(=O)C(=O)ON=CC=O;JVSUQVLDQXNKJP-UHFFFAOYSA-N;144.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305036;MM305036;C=NNC(CNC)C(C)O;YSWWZOQSDFWZMH-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305037;MM305037;C=CC=NOC(=O)C(=C)F;FDDIOUPINBUAFS-UHFFFAOYSA-N;143.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305038;MM305038;C=NNC(CNC)C(C)F;MEVRYLRNNUFMKT-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305039;MM305039;C=C(F)C(=O)ON=CC#N;HIYFWBNUNVHIID-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305040;MM305040;CCCNC(=O)C(C)C;FYRBHLFWWSLQGB-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305041;MM305041;C#CC=CCC(=C)C(C)=O;PXQMYUDVHVDQSW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305042;MM305042;C=NNC(COC)C(C)F;FTFTWVXOWXRLBG-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305043;MM305043;C#CC=CCC(=C)C(=N)N;VIZQDCUTYFQICX-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305044;MM305044;CC(C)C(CCO)OC=O;VNTGIXYAOWLIOB-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305045;MM305045;CC(=CC(N)=O)CC=CF;JOOBVPJMIUBQGR-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305046;MM305046;C=NOC(CCN)C(C)C;WEIAURMBKHHYAG-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305047;MM305047;C#CC=CCC(=C)C(=C)F;KRDDAGXUEIWJLV-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305048;MM305048;C=NOC(CCF)C(C)C;HTCYWAOLZHIMGP-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305049;MM305049;C#CC=CCC(=O)C(=C)C;QCEJLOQRENEWLQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305050;MM305050;C=C(C)C(=C)CNC=O;VFPBPAMZSYCABB-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305051;MM305051;NC(=O)C=CCN(N)C=O;HTYSYBZQZMVAMH-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305052;MM305052;C#CC=CNC(=N)C(=N)N;MLIHHYQGLAIDPQ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305053;MM305053;C=NOC(CNC)C(C)C;BFXSRGFGFYOBQD-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305054;MM305054;C=CC#CCC(=C)C(N)=O;HLOCCWBXYLRBOF-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305055;MM305055;C=NOC(CNC)C(C)N;AAZDESVXWCYAFC-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305056;MM305056;C#CC=CNC(=O)C(N)=O;RGYHRHJTPDVKPW-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305057;MM305057;C=CC(=O)NCCCC;YRVUCYWJQFRCOB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305058;MM305058;C#CC=CNC(=O)C(=C)F;KALDQAMKMIFROD-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305059;MM305059;CCNC(CC=O)C(C)C;GQBVWLQIJGBEMD-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305060;MM305060;CC1C(CF)CC1C(N)=O;JFOYGFGILNPQLO-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305061;MM305061;C=CCC(NCC)C(C)N;RNPJGSBQRBSWDS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305062;MM305062;C#CC=NNC(=O)C(C)=O;CNRWJAQOWDNWEV-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305063;MM305063;CCNC(CC=O)C(C)F;POTAEZFRHXCESD-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305064;MM305064;C#CC=NNC(=O)C(=C)F;MYPRJXRBPYTSMW-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305065;MM305065;CCOC(CC#N)C(F)F;LXPCRJICTXTPCX-UHFFFAOYSA-N;149.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305066;MM305066;C#CC=COC(=C)C(=C)C;BHJJMYNPFDRVHG-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305067;MM305067;CCOC(OC=O)C(C)O;PCGSGNOCUWAMSQ-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305068;MM305068;C#CC=COC(=C)C(C)=O;BQDQYHCXPBRAMW-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305069;MM305069;C=COC(OCC)C(F)F;XJIGLLNGEMAPKQ-UHFFFAOYSA-N;152.14;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305070;MM305070;C#CC=COC(=C)C(=N)N;FEZZRTNPWDVBIY-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305071;MM305071;C=NOC(OCC)C(F)F;IFVZAEMRDXQUPN-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305072;MM305072;C#CC=COC(=C)C(N)=O;SBDWVHGRATXCJQ-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305073;MM305073;CN(C)C(CC=O)CCF;DJRBNPOAPCQSAO-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305074;MM305074;C=C(C(=O)O)C(C=O)CO;RSKKZQCJOZEZBI-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305075;MM305075;CC=CC=CC(=O)NC;PFCAKNKRSXYTRZ-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305076;MM305076;C#CC=COC(=O)C(=C)C;WRGCEDVOWQSVDO-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305077;MM305077;C=C(CC)C(C)NC=O;YJHPGSNFDJUDCQ-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305078;MM305078;C#CC=COC(=O)C(C)=O;ASLAQCGOKYNEDH-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305079;MM305079;CC(C)N(CCF)NC=O;AMPJMFPYEMPCQH-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305080;MM305080;C#CC(C)(O)C(C=O)=NO;SWDYJSDKQUXENZ-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305081;MM305081;C#CCC(CCN)C(C)C;OPSDRBNFOSFWFU-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305082;MM305082;C#CC=COC(=O)C(=C)F;RYBZSIBGFKZNBH-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305083;MM305083;C#CCC(CCF)C(C)N;GCHMQRUCBOBYRB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305084;MM305084;CC(F)C1CC(C(N)=O)C1;LPTOLIAYXJNCMU-UHFFFAOYSA-N;145.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305085;MM305085;C#CCC(CCN)C(C)O;DNGXYEJVRCSIII-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305086;MM305086;C#CC1C=CC(=O)N1C;NXTNLCZCCHSHBE-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305087;MM305087;C#CCC(CCF)C(F)F;QLTQRSNXCXSTPO-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305088;MM305088;CCC#CCC(C)C(C)C;AXJCWSSXUDXWTK-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305089;MM305089;C#CCC(CNC)C(C)C;XLAMHCIMOMVHQM-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305090;MM305090;CC(C)C(C)CC#CCN;FAONEKHEDVKWIF-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305091;MM305091;C#CCC(CNC)C(C)O;YEWYTIQMACDLEH-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305092;MM305092;CC(C)C(C)CC#CCO;SJIWPJQTMCQSPB-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305093;MM305093;C#CCC(CCO)N(C)C;YYQZSHBWGBVEDR-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305094;MM305094;CC(C)C(C)CC#CCF;KTYGAEQBCHXXSX-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305095;MM305095;C#CCC(CNC)N(C)C;DTFKVIBVJXCZIZ-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305096;MM305096;CCC#CCC(C)C(C)N;UUVSYPUSIOVICO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305097;MM305097;C=CCC(CC=O)C(C)C;VFHZQUPFFILUGP-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305098;MM305098;C#CC(C)CCC(=O)NC;BUUUXUYKTIQGCU-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305099;MM305099;C=CCC(CC=O)C(C)O;LRZCAGUHLIETTI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305100;MM305100;CC(O)C(C)CC#CCO;MAOTXQQOYISXLN-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305101;MM305101;C=CCC(CC=O)C(C)F;PPFQDAUWADMXQG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305102;MM305102;C=NN(C=N)CCC(N)=O;MABKPWOLWOVGSK-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305103;MM305103;C=CCC(CC=O)C(F)F;SIRXKZAOTZOOTL-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305104;MM305104;CCC#CCC(C)C(C)F;MKUWKRKKOTWAKL-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305105;MM305105;C=CCC(NC=N)C(C)C;IRZHKMASITVLPD-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305106;MM305106;CC(F)C(C)CC#CCN;DXJSTIRTFFOFOC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305107;MM305107;CC=C(C)C(C)NC=O;LUUGDVQJCYJLIL-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305108;MM305108;CC(F)C(C)CC#CCO;MHNAZHWHDSSLGP-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305109;MM305109;CC1CN1CC(=O)C=O;OOPZVSOSVVCPII-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305110;MM305110;CC(F)C(C)CC#CCF;VCEKVFSJQAJPLM-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305111;MM305111;C=CCC(NC=N)C(C)N;XPYFFGPMAGCFQG-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305112;MM305112;CCC#CCC(N)C(C)C;SQYMARFZIYGZRH-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305113;MM305113;C=CCC(NC=O)C(C)N;UEZGOMGTCDAMLQ-UHFFFAOYSA-N;142.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305114;MM305114;CCC#CCC(N)C(C)N;HLFODAMVANLPLJ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305115;MM305115;CC(O)C(CC#N)NC=N;ZCZPYVCRZRNXFY-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305116;MM305116;CC(N)C(N)CC#CCN;BUBUCXLVUSZVLE-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305117;MM305117;CC(O)C(CC#N)NC=O;DPOKKOOQLVZERV-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305118;MM305118;CC(N)C(N)CC#CCO;BKMLIRHIYNWKCT-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305119;MM305119;COc1onc(N)c1C;IPGTUROQIVIVQU-UHFFFAOYSA-N;128.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305120;MM305120;CCC#CCC(N)C(C)F;LBUMNTCLEIVOJK-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305121;MM305121;CC(F)C(CC=O)NC=O;VDANRIWLGVPSFY-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305122;MM305122;NC=C(C=O)C=CC(N)=O;JZFMYLDOBMKFCS-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305123;MM305123;C=CCC(NN=C)C(C)C;CUASJTPULSFCPI-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305124;MM305124;O=CC(=O)CC1(C=O)CN1;UCOAIGWJBZQOMQ-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305125;MM305125;C=CC(=CC)CNC=O;PCOSVETULCCNMN-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305126;MM305126;CCC#CCC(O)C(C)N;CHBBQHMDTAPGHT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305127;MM305127;COC1CN=C(NN)O1;YOANEGCXZFYFBJ-UHFFFAOYSA-N;131.14;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305128;MM305128;CC(N)C(O)CC#CCN;BGXKATJZKISMAI-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305129;MM305129;CC(C)C(CC=O)OC=O;UNKBSDONJLRRNF-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305130;MM305130;CCC#CCC(O)C(C)O;DUOWNAGRBGNCFX-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305131;MM305131;C=CCC(OC=O)C(C)O;QCYFGXVUNJKSTQ-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305132;MM305132;CC(O)C(O)CC#CCN;ISBPIGRMJKGCEE-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305133;MM305133;C=COC(CC=O)C(C)O;RMHWJMIRTWOTPK-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305134;MM305134;CC(F)C(O)CC#CCN;KSCFEWNIMUPIGS-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305135;MM305135;CC(F)C(CC#N)OC=O;MFLWJPKCSVLWGZ-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305136;MM305136;CC(C)C(F)CC#CCO;UBCYRYIWWSPRSZ-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305137;MM305137;C=CCC(OC=O)C(F)F;FSLLKUSFILLTKG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305138;MM305138;CCC#CCC(C)N(C)C;JBLUICCCBUPGLW-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305139;MM305139;CC(CC(C)(C)F)C(N)=O;XNUUREIKKHYULF-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305140;MM305140;CC(CC#CCO)N(C)C;WIVFLDSHACIUMU-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305141;MM305141;C=CCC(ON=C)C(C)N;WQRIDXYPMQQTNB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305142;MM305142;CC(CC#CCF)N(C)C;TYJYZXOUOCLABN-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305143;MM305143;C=NOC(CC#N)C(F)F;HIUMMNDSSGZMDC-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305144;MM305144;CCC#CCN(C)C(C)C;RNXCNKGPRPYKTA-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305145;MM305145;CC(C)C(OC=O)OC=O;WKUXSMQWOJNOSE-UHFFFAOYSA-N;146.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305146;MM305146;C=CC#CCC(C)C(C)C;VLBCEPZMEQFDIJ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305147;MM305147;C=COC(OC=C)C(C)O;PRJCWQVGCAFVJB-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305148;MM305148;CC(C)C(C)CC#CC=O;WSUBOKISWIOSDA-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305149;MM305149;CC(O)C(OC=O)OC=O;HDDJPUITPHODBN-UHFFFAOYSA-N;148.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305150;MM305150;CC(C)C(C)CC#CC#N;XAVGUJMDKYWELG-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305151;MM305151;C=COC(OC=C)C(F)F;QOIXSPFRNGSWMN-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305152;MM305152;C=CC#CCC(C)C(C)N;CTFPXVHZULZXTO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305153;MM305153;C=C(C=NNC)CC(N)=O;UCIXRCFNBSTSEI-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305154;MM305154;CNC(=O)C(C)CCCO;MHDRATKBNMBYKC-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305155;MM305155;C=NOC(ON=C)C(C)F;NJOANGMNLIYZGM-UHFFFAOYSA-N;148.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305156;MM305156;C=C(C)C1(C#N)NCC1=O;OEAFHFGGRFCWCF-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305157;MM305157;C=C(CC(C)=NN)C(N)=O;FKFYPSFDFYOONB-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305158;MM305158;C=CC#CCC(C)C(C)F;DHGYKHRECKGMHU-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305159;MM305159;C=CCC(CC=O)N(C)C;RBUFUOFQVMDHNE-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305160;MM305160;CC(F)C(C)CC#CC#N;YLWKQJRBOJKLFC-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305161;MM305161;C=C(C=C(C)C(N)=O)OC;CQVMWOKDEIMEKN-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305162;MM305162;C=CC#CCC(N)C(C)C;GGPIQIYWRUWWKA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305163;MM305163;CC(C)N(CC=O)NC=O;XNSSYZLPEFADGN-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305164;MM305164;C=CC#CCC(N)C(C)N;DYGQANOPYZFSFN-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305165;MM305165;CC(C)N(CC#N)NC=O;BUYGQZHHCBOEDA-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305166;MM305166;C=CN(C=N)C(=O)COC;AVXKJUJPLQUYLL-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305167;MM305167;C#CCC(CC=O)C(C)C;WBFWAFLPTLBSDS-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305168;MM305168;C=NNc1c[nH]c(N=N)c1;OISFZVAIOHSPAW-UHFFFAOYSA-N;137.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305169;MM305169;C#CCC(CC=C)C(C)F;XZHWJRNLBBSAQC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305170;MM305170;CC(O)C(O)CC#CC=O;KXSRHWWAOYXEMA-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305171;MM305171;C#CCC(NC=O)C(F)F;NFBPQNGGCWLPMF-UHFFFAOYSA-N;147.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305172;MM305172;C=CC#CCC(F)C(C)C;ZOPYCMFEEVEDBD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305173;MM305173;C#CCC(NN=C)C(C)C;WIBZMUPNNAWYMS-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305174;MM305174;CC(C)C(F)CC#CC#N;QDALBDFPCQDWEY-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305175;MM305175;C#CCC(OC=O)C(C)O;UWIWEFQTGHPVAN-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305176;MM305176;C=CC#CCC(F)C(C)N;LCDPLXXZAMCHEL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305177;MM305177;C#CCC(ON=C)C(C)N;SUZZLVUJQFVNJO-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305178;MM305178;C=CC#CCC(C)N(C)C;KBHUYIACEDPVKQ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305179;MM305179;C#CCN(NC=N)C(C)C;MNGICZDVHOOVPN-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305180;MM305180;CC(CC#CC#N)N(C)C;IXQNTZHDRBOFQT-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305181;MM305181;C=C(C)C(CCN)CCF;PAWJUFZJQKKJDJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305182;MM305182;C=CC#CCN(C)C(C)C;RBVOVLAGKPEDOK-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305183;MM305183;C=C(C)CCC(=O)NCC;NUOVMYVLDYZOAP-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305184;MM305184;C#CC#CCC(C)C(C)C;DZVKDTUFTVDSRP-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305185;MM305185;C=C(C)C(CCF)CCF;XQLXNQHCBADSQD-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305186;MM305186;C#CC#CCC(C)C(C)N;CEZCIBPQYGZPOS-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305187;MM305187;CCCC(CCC)C(=N)N;XLVKQJAUSBDRMV-UHFFFAOYSA-N;142.25;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305188;MM305188;O=CNC1CCC1;MFXUSQSDQJBLBN-UHFFFAOYSA-N;99.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305189;MM305189;CCCC(CCF)C(=N)N;DJBBQKVWIFMUND-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305190;MM305190;C#CC#CCC(C)C(C)F;URLXHFGYUMFYAS-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305191;MM305191;N=C(N)C(CCN)CCF;CCOACNYVZCDLTE-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305192;MM305192;C#CC#CCC(N)C(C)C;ZOCUFYHSKRAPAW-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305193;MM305193;CC(F)C(C)C(C)C(N)=O;CRTSHKMBLYTDPI-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305194;MM305194;C#CC#CCC(N)C(C)N;ZUCDPSALQOXMEA-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305195;MM305195;NCCC(CCF)C(N)=O;AYBGOOJEAAJFKU-UHFFFAOYSA-N;148.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305196;MM305196;CNc1cnc(N)o1;FNFHUIJQGPXOTD-UHFFFAOYSA-N;113.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305197;MM305197;C#CC#CCC(O)C(C)O;NIGRJYCAOUWNAN-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305198;MM305198;CCCC(CCF)C(=O)O;GLBCRFQPUHIGST-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305199;MM305199;C#CC#CCC(F)C(C)C;LIILOLPOOYLTPG-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305200;MM305200;C=C(F)C(CCN)CCF;XQNAPEUHVRCRFY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305201;MM305201;C#CC#CCC(F)C(C)N;DNHMGRFDUDPCFU-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305202;MM305202;C=C(F)C(CCO)CCF;STULJXAYDQYLSH-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305203;MM305203;C#CC#CCC(C)N(C)C;KBMNYYCQDVRBMD-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305204;MM305204;C=C(F)C(CCF)CCF;GDBXQLGKIYIDPI-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305205;MM305205;C=C(C)C(C)CC#CCC;KDYGLNPFACVBPV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305206;MM305206;C=C(C)C(CCC)CNC;ULJIBVXDGFNRJZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305207;MM305207;C=C(C)C(C)CC#CCN;RVOSIPAAXIRLPX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305208;MM305208;C=C(C)C(CCF)CNC;ZRNBJGNNNCAEMP-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305209;MM305209;CCC#CCC(C)C(C)=O;UDKAWNDAOMTIBY-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305210;MM305210;CNCC(CCF)C(=N)N;ZPDUFANSHHAJAP-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305211;MM305211;CC(=O)C(C)CC#CCO;OINUWQUJBIMPGM-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305212;MM305212;CCCC(CNC)C(N)=O;XEGDIDRAXYJYFI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305213;MM305213;CC(=O)C(C)CC#CCF;OWASBFGKZFPUOG-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305214;MM305214;CNCC(CCF)C(N)=O;TXANXLZJFQOVQI-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305215;MM305215;CCC#CCC(C)C(=N)N;JALWGNOIRQZLLK-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305216;MM305216;COCC(CCF)C(N)=O;SXSUVRKPIUNMST-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305217;MM305217;CC(CC#CCN)C(=N)N;YQKBAIOODRXPLD-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305218;MM305218;CNCC(CNC)C(C)=O;FSXZBNVHTKGOPO-UHFFFAOYSA-N;144.22;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305219;MM305219;CC(CC#CCO)C(=N)N;MPBUFPFCQWEHIQ-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305220;MM305220;COCC(COC)C(N)=O;XGMUTTGCMCLMIR-UHFFFAOYSA-N;147.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305221;MM305221;CC(CC#CCF)C(=N)N;GYPDRJSOFPUCEV-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305222;MM305222;C=C(C)C(CCF)NCC;UWGPHQVIMSYBTA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305223;MM305223;CCCC(NCC)C(=N)N;YYUWIIWFAKDKMP-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305224;MM305224;CCC#CCC(C)C(N)=O;WSJWYUZZNVESSA-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305225;MM305225;CCCC(NCC)C(N)=O;VNHOXUZKUMTDAB-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305226;MM305226;CC(CC#CCN)C(N)=O;FDHJPFSCZAWUNM-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305227;MM305227;CCNC(COC)C(=N)N;GVQOUFBMCRYYJT-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305228;MM305228;CC(CC#CCO)C(N)=O;QJTMZEMWESXXQC-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305229;MM305229;CCOC(CCN)C(=N)N;AOZWGGGWBKDCRW-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305230;MM305230;CC(CC#CCF)C(N)=O;KEOYKAKQVUBPGV-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305231;MM305231;CCOC(CCO)C(=N)N;SUPVMGLIRSRNOE-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305232;MM305232;CCC#CCC(C)C(=O)O;JRIIYTZWUDBBIA-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305233;MM305233;CCOC(CCO)C(N)=O;OGRJHVCWQPZKRD-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305234;MM305234;CC(CC#CCF)C(=O)O;TUIZYEHLOSZPCC-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305235;MM305235;CCOC(CNC)C(C)=O;IDTGOEOXYIABPA-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305236;MM305236;C=C(F)C(C)CC#CCC;UTHQMDVHIXBQSW-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305237;MM305237;CCOC(CNC)C(=N)N;YKHSULKZKGJQLZ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305238;MM305238;C=C(F)C(C)CC#CCN;ZCESONHXQFZXRE-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305239;MM305239;CCOC(CNC)C(N)=O;ZVTONIWXISIIOH-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305240;MM305240;C=C(F)C(C)CC#CCO;BSRTVTWXHXLFSO-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305241;MM305241;CCOC(OCC)C(C)=O;SDMOBEHDSJVJHU-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305242;MM305242;C=C(F)C(C)CC#CCF;CYLCWTFEIIKVJM-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305243;MM305243;CCCN(CCF)C(C)=N;WIQPTRDRQRIQPY-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305244;MM305244;C=C(C)C(N)CC#CCC;BIMIRPKBBRVMDV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305245;MM305245;CCCN(CCN)C(C)=O;CWHORGYSWICPBB-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305246;MM305246;C=C(C)C(N)CC#CCF;AVWVIDFZTGREPP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305247;MM305247;CCCN(CCF)C(=N)N;QNFAWRGECDPAFB-UHFFFAOYSA-N;147.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305248;MM305248;N=C(N)C(N)CC#CCN;WPIKTJQCJKQRKD-UHFFFAOYSA-N;140.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305249;MM305249;CCCN(CCO)C(N)=O;GZEIPLZPXNCEHE-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305250;MM305250;N=C(N)C(N)CC#CCF;ABXWABDRWMPUDT-UHFFFAOYSA-N;143.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305251;MM305251;CCCN(NCC)C(C)=N;GWKXUALAAWRYLB-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305252;MM305252;NC(=O)CCC1CO1;ROEBIWIBIYCFGA-UHFFFAOYSA-N;115.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305253;MM305253;CCNN(CCN)C(C)=N;UWGRMMUIIFCROW-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305254;MM305254;NN1CCC(F)C1=O;APJBULHJDFDMTP-UHFFFAOYSA-N;118.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305255;MM305255;CCNN(CCF)C(C)=O;PJEHFITVYCOTDZ-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305256;MM305256;CCC#CCC(O)C(C)=O;BWWGXMIAAHTPST-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305257;MM305257;CCON(CCO)C(=N)N;QGGUCDKWASESTC-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305258;MM305258;CC(=O)C(O)CC#CCO;RIFOXSUZNGKAJJ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305259;MM305259;CCON(CCO)C(N)=O;QLTFQUSKGIMNFC-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305260;MM305260;N=C(N)C(O)CC#CCN;XESFERKNEUXNPO-UHFFFAOYSA-N;141.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305261;MM305261;C=C(C)C(CC=O)CCC;GHODRAYGWHBASR-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305262;MM305262;N=C(N)C(O)CC#CCF;ZAMSWCGHWZTUAI-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305263;MM305263;C=C(F)C(F)C(=N)N(C)N;NUHZMPHBFYARFK-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305264;MM305264;C=C(C)C(F)CC#CCN;JCFHUDFPDZCYCU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305265;MM305265;C=C(C)C(CC=O)CCF;IISOSKQHIRXGQG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305266;MM305266;C=C(C)C(F)CC#CCO;UNTFBNCVUIBHCG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305267;MM305267;C=C(C)C(CC#N)CCF;NPTXRYLNRHNVLV-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305268;MM305268;C=C(C)C(F)CC#CCF;UURFUBQKYPUNGG-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305269;MM305269;C=CCC(CCC)C(=N)N;FXDZBHPTGFJLKO-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305270;MM305270;CCC#CCC(F)C(C)=O;UJEOVVKBIXGATQ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305271;MM305271;N#CCC(CCO)C(=N)N;UKLVIIRHISZEEM-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305272;MM305272;C=C(F)C(F)CC#CCN;WZYLAKSZMRXTAS-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305273;MM305273;C=CCC(CCF)C(=N)N;CUXLPOSHXOMGLR-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305274;MM305274;CCC#CCN(C)C(C)=N;IYMGHXBZODLWJU-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305275;MM305275;N=C(N)C(CC=O)CCF;PQVMJCPGSPFRAC-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305276;MM305276;CC(=N)N(C)CC#CCN;NYJQUZXBQFWMQB-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305277;MM305277;CC(F)CCC(C)C(N)=O;VWNWLODRHUBLCR-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305278;MM305278;CC(=N)N(C)CC#CCF;FXVVRAFDIDQUKZ-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305279;MM305279;C=CCC(CCO)C(N)=O;ARPZFNVKOLGHNV-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305280;MM305280;CCC#CCN(C)C(C)=O;GHTQDNQNAMJARE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305281;MM305281;NC(=O)C(CC=O)CCF;CQARQYADXDQJJM-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305282;MM305282;CC(=O)N(C)CC#CCN;NAYSGMPSRNLPNG-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305283;MM305283;C=CCC(CCC)C(=O)O;UMYDNZXEHYSVFY-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305284;MM305284;CC(=O)N(C)CC#CCF;QZURRARBSZXINP-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305285;MM305285;Cn1c(O)nc(N)cc1=O;JGAVPFNFAUWIJY-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305286;MM305286;CCC#CCN(C)C(=N)N;PVYWISUYALRJMX-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305287;MM305287;C=CCC(CCF)C(=O)O;KMROCXPALUVFBC-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305288;MM305288;CN(CC#CCN)C(=N)N;BYFDJXRYQMHZNW-UHFFFAOYSA-N;140.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305289;MM305289;C=C(F)C(CC=O)CCC;DXXUEFKOOXONOI-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305290;MM305290;CN(CC#CCO)C(=N)N;VJBZOKQHONHYOS-UHFFFAOYSA-N;141.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305291;MM305291;C=CCC(CNC)C(=C)C;VQZWUUSXXGDFIJ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305292;MM305292;CCC#CCN(C)C(N)=O;HZCQRWAGBQLOQI-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305293;MM305293;C=C(C)C(CC=O)CNC;ZGJFWKGXQRYEQD-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305294;MM305294;CN(CC#CCN)C(N)=O;JRYWLKMYJKWHHA-UHFFFAOYSA-N;141.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305295;MM305295;C=CCC(CNC)C(=N)N;ZOHMWHSWMXIJPC-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305296;MM305296;C=CCC(CNC)C(N)=O;PUQRXWVVMMVEPN-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305297;MM305297;CCC#CCN(N)C(C)=N;HAFZGAYCIZGNHU-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305298;MM305298;COCC(CC#N)C(=N)N;AXXBADYBAUQXHK-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305299;MM305299;CC(=N)N(N)CC#CCO;LMRWAZFDKOZMIN-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305300;MM305300;C=C(C)C(CCN)NC=N;FASCQDSASIWQDS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305301;MM305301;CCC#CCN(N)C(C)=O;UZHCNOFTXXKUAA-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305302;MM305302;CCCC(N=CN)C(N)=O;SJYWYGHCKVYSEI-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305303;MM305303;N=C(N)N(N)CC#CCO;LGZXNXPXNJWQRU-UHFFFAOYSA-N;142.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305304;MM305304;C=NNC(CCC)C(=C)C;QKMPUYLCWFMIOJ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305305;MM305305;N=C(N)N(N)CC#CCF;RPWRVFKEJOSMSB-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305306;MM305306;C=NNC(CCF)C(=C)C;YIWHAFHVYDBGMK-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305307;MM305307;CC=CC(C)NC(C)=O;YJGKYKJXGVIIGE-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305308;MM305308;C=NNC(CCC)C(=N)N;OGTDJZLRALZMJH-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305309;MM305309;O=CCNN=CC(F)F;XKNCCZJBLUJGBS-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305310;MM305310;C=NNC(CCC)C(=C)F;OTAADVPBLOPOQE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305311;MM305311;CCC#CCN(O)C(=N)N;SOFOLYJBLCLTJX-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305312;MM305312;C=C(C)C(CNC)NC=N;CDDWMCLVRCILJI-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305313;MM305313;N=C(N)N(O)CC#CCN;OXARXMZSVPBNBI-UHFFFAOYSA-N;142.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305314;MM305314;C=C(C)C(CNC)NC=O;FJGVOQRJWQQOCC-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305315;MM305315;N=C(N)N(O)CC#CCO;PGGZAGJGSUHDTI-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305316;MM305316;C=NNC(CNC)C(=C)F;HKTXSODRVXWFPY-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305317;MM305317;N=C(N)N(O)CC#CCF;MIUPUAFQICOCSQ-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305318;MM305318;CC(=COC(C)C)C(N)=O;UQPWQEOWQSYGNP-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305319;MM305319;NC(=O)N(O)CC#CCO;BQMRUEQWBJLFBW-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305320;MM305320;COCC(NC=N)C(=N)N;GPQKSHUARJWVGX-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305321;MM305321;C=CC#CCC(C)C(=C)C;UVZAUGKTYXENFB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305322;MM305322;C#Cc1noc(C=C)c1O;JOQDEKPVWDMGOZ-UHFFFAOYSA-N;135.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305323;MM305323;C=C(C)C(C)CC#CC=O;VBRSREADLNSEPK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305324;MM305324;C=NNC(COC)C(=N)N;PCBOGKGUORMBID-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305325;MM305325;C=C(C)C(C)CC#CC#N;INFLAWMIXJYDPO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305326;MM305326;C=CC(C)CC(=O)NCC;UCBDNENAUYNQGQ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305327;MM305327;C=CC#CCC(C)C(C)=O;UVNSRXHNOWVHJM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305328;MM305328;C=C(C)C(CCF)OC=O;USRUSKIPJLYIDX-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305329;MM305329;CC(=O)C(C)CC#CC#N;VDRIJGCBMIVFBA-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305330;MM305330;CCCC(OC=O)C(C)=O;OKGFMPDJWVDETF-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305331;MM305331;CC(CC#CC#N)C(=N)N;WHARJTSLALMVHB-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305332;MM305332;CCCC(OC=O)C(=N)N;XQJXYTMJHDPHCE-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305333;MM305333;C=CC#CCC(C)C(N)=O;HHJHNFLOAMJIER-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305334;MM305334;C=COC(CCO)C(=N)N;KRYLHEVNKJFWOP-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305335;MM305335;C=CC#CCC(C)C(=O)O;FPWZPEDRAGMACC-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305336;MM305336;C=COC(CCO)C(N)=O;JHWNSRMCOYFQPI-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305337;MM305337;CC(CC#CC#N)C(=O)O;SFHUGOCTSPDMEG-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305338;MM305338;C=COC(CCF)C(N)=O;MINHQXQQQVUQCL-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305339;MM305339;C=CC#CCC(C)C(=C)F;ZRPRRGMXIMBDPA-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305340;MM305340;C=NN=CC(=CN)C(=O)O;WAGNQIUNSZVPAF-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305341;MM305341;C=C(F)C(C)CC#CC#N;YFWPPRXQNOYURD-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305342;MM305342;CC(O)C(=NO)C(F)CO;FTPJDFMORJSPIS-UHFFFAOYSA-N;151.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305343;MM305343;C=CC#CCC(N)C(=C)C;OCWUDBLYZIXAPD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305344;MM305344;C=NOC(CCF)C(=C)C;FFKFIKZMLZPBDT-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305345;MM305345;CCC#CC=CC(N)=O;IVHZOHMPZFNPDM-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305346;MM305346;C=NNC(=CC(N)=O)CC;HJLXITIPRMWUPU-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305347;MM305347;C=C(C)C(O)CC#CC#N;GWZOVMODIYARQF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305348;MM305348;NN=C(CC(=O)O)NC=O;JEMWFQIARIDOLC-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305349;MM305349;C=CC#CCC(O)C(C)=O;IIJMDEBUCVDZFL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305350;MM305350;C=COC(CNC)C(=N)N;IEAHCFYYERDKSX-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305351;MM305351;N#CC#CCC(O)C(=N)N;UZMCSOFKSDFFEG-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305352;MM305352;CCC(NC(C)=O)C(C)C;USXAXMDHNZSFOG-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305353;MM305353;C=CC#CCC(O)C(N)=O;VEBLMFGMLGYXTN-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305354;MM305354;C=CCC(NCC)C(=C)C;SNMOEOLZDYACOU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305355;MM305355;N#CC#CCC(O)C(N)=O;KIVYWHAFGSXJCS-UHFFFAOYSA-N;138.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305356;MM305356;C=C(C)C(CC=O)NCC;KCOSKBVQTQNNDA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305357;MM305357;C=CC#CCC(O)C(=C)F;MHPAPFCKGDDAPV-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305358;MM305358;CC(C)C(C=O)CC(N)=O;QALDBSXWPHQMLC-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305359;MM305359;C=C(F)C(O)CC#CC#N;JUAGKKZPJGXAFU-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305360;MM305360;C=CCC(NCC)C(=N)N;GZWBOJUBFIPNMF-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305361;MM305361;C=CC#CCC(F)C(=C)C;NFFJEESCLCJALQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305362;MM305362;C=CCC(OCC)C(N)=O;DXLDARXIHIYOEA-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305363;MM305363;C=C(C)C(F)CC#CC=O;YMBSZAPWURQAIL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305364;MM305364;O=CC=NNC=CC(=O)O;YRHLQOXAAVJKPI-UHFFFAOYSA-N;142.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305365;MM305365;C=C(C)C(F)CC#CC#N;CBDLSROCBMUXBL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305366;MM305366;CCOC(OC=O)C(N)=O;ZJBSCUSFQCOFPG-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305367;MM305367;C=CC#CCC(F)C(=C)F;CDYLOOLAIJYAMC-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305368;MM305368;Nc1noc(O)c1O;PYGWIOVWSJUSRO-UHFFFAOYSA-N;116.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305369;MM305369;C=C(F)C(F)CC#CC#N;VZDHZFDGFSXXKT-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305370;MM305370;CCC(CC(C)F)C(N)=O;ZXTUIUAUUTWJJI-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305371;MM305371;C=CC#CCN(C)C(C)=N;DJOQWACZTJCCLJ-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305372;MM305372;C=CCN(CCF)C(C)=N;NDOKOOFGSILEMP-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305373;MM305373;CC(=N)N(C)CC#CC#N;ZBAYXJRLIHJMEZ-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305374;MM305374;CC(=O)N(CC#N)CCO;OGZBRVZBGCKQHI-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305375;MM305375;C=CC#CCN(C)C(C)=O;AYOVKYXOIONFRM-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305376;MM305376;CC=CCCC(=O)NCC;PQLFNOORJBMOND-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305377;MM305377;C=CC#CCN(C)C(=N)N;JZDRRSPOVLRPCP-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305378;MM305378;CCCN(CC=O)C(=N)N;JWDACNKSIYGTPX-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305379;MM305379;CN(CC#CC=O)C(=N)N;JVYUYCDOJCEBFK-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305380;MM305380;C=CCN(CCO)C(=N)N;ASWJIQZVZZPAOS-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305381;MM305381;CN(CC#CC=O)C(N)=O;SECKHLXOHYYJSY-UHFFFAOYSA-N;140.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305382;MM305382;N=C(N)N(CC=O)CCF;BOERFRQYINLGSS-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305383;MM305383;N#CC#CCN(O)C(=N)N;FLKVIRLTBCRNFW-UHFFFAOYSA-N;138.13;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305384;MM305384;CCC(CF)C(C)C(N)=O;CYRDLGNZERENJY-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305385;MM305385;NC(=O)N(O)CC#CC=O;CVIRJEKSGQOBCP-UHFFFAOYSA-N;142.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305386;MM305386;C=CCN(CCN)C(N)=O;NKQXWSMXXHBZFF-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305387;MM305387;N#CC#CCN(O)C(N)=O;CTOJLTUTSHENEZ-UHFFFAOYSA-N;139.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305388;MM305388;N#CCN(CCO)C(N)=O;QGVBCMUVBTXQTR-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305389;MM305389;C#CC#CCC(C)C(=C)C;OEANOXDTGHUHID-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305390;MM305390;N=CNN(CCO)C(=N)N;GMDUELJHIOSWHW-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305391;MM305391;C#CC#CCC(C)C(C)=O;RSQLOVZHJVPAOI-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305392;MM305392;NC(=O)N(CCO)NC=O;SRSPCJZYVCXPEW-UHFFFAOYSA-N;147.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305393;MM305393;C#CC#CCC(C)C(=N)N;MDDICYBUVAKUJC-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305394;MM305394;CCCN(OC=O)C(=N)N;QREWQJFLKJDFPO-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305395;MM305395;C#CC#CCC(C)C(N)=O;XMTGJPRDVRONKR-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305396;MM305396;N=C(N)N(CCN)OC=O;WZDDHHJQORNHIS-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305397;MM305397;C#CC#CCC(C)C(=O)O;PFSRIDMMSWHHTK-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305398;MM305398;NC(=O)N(CCO)OC=O;JVOOUWBSEAOBJZ-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305399;MM305399;C#CC#CCC(C)C(=C)F;LZSIRNDMSMECAT-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305400;MM305400;C=CCN(OCC)C(N)=O;LIUPUBQONOALGV-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305401;MM305401;C#CC#CCC(N)C(=C)C;NEBNIMHARVYATR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305402;MM305402;CCON(CC#N)C(N)=O;DFWANHYHCBDWBO-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305403;MM305403;CN1C=NC(=NC=N)C1;WXGVIBKAVYKQIB-UHFFFAOYSA-N;124.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305404;MM305404;C#CCC(CCO)C(C)=O;VSSLBUJFZMPEJS-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305405;MM305405;C#CC#CCC(F)C(=C)C;BXSPUVVHWPRISB-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305406;MM305406;C#CCC(CCF)C(=N)N;NAXMAEQQAPVSAP-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305407;MM305407;C#CC#CCC(F)C(C)=O;GDPBMMDSLWRPSK-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305408;MM305408;C#CCC(CCC)C(=O)O;KWBNQXQUIZBELR-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305409;MM305409;C#CC#CCC(F)C(=C)F;FYAJJEFQQYAWSR-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305410;MM305410;C#CCC(CCF)C(=C)F;YKNGZLLGJLUODZ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305411;MM305411;C#CC#CCN(C)C(C)=N;LLXFRDSSYLBNLK-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305412;MM305412;C#CCC(CNC)C(=C)C;VMTOVIOMBVBJKT-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305413;MM305413;C#CC#CCN(C)C(C)=O;IPANXUZXOJSEHH-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305414;MM305414;C#CCC(CNC)C(N)=O;VHBAZMKEOHHPHN-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305415;MM305415;C#CC#CCN(C)C(N)=O;RBBCDFWYHHAJHA-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305416;MM305416;C#CCC(NCC)C(=C)C;RGHQBPVAYOFVRD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305417;MM305417;C#CC#CCN(N)C(C)=O;KITUVGSGDKYGEH-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305418;MM305418;C#CCN(CCO)C(C)=O;UUJFKKRFRLXNCK-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305419;MM305419;C=C(CC#CCC)C(C)C;DPLGBXKKGQWISA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305420;MM305420;C#CCN(CCF)C(C)=O;HGAQGHRKCJYBMN-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305421;MM305421;C=C(CC#CCN)C(C)C;WKDALFQCGPWXEW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305422;MM305422;C=CCC(CC=O)C(=C)C;UBXHHMWHRPYQQI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305423;MM305423;C=C(CC#CCO)C(C)C;OIEVQYIDNKJBMA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305424;MM305424;C=C(C)C(CC=O)CC=O;MEGRLTONSLAOOM-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305425;MM305425;C=C(CC#CCF)C(C)C;QEPFXVIULXJOOQ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305426;MM305426;C=C(C)C(CC#N)CC=O;ILAILJBOACYROU-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305427;MM305427;C=C(CC#CCC)C(C)N;JFKZKNUSZXNIMH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305428;MM305428;C=CCC(CC=C)C(=N)N;CQOGNUGWMSYCPW-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305429;MM305429;C=NN1CC1CC(N)=O;HATNZYZZAXYAPK-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305430;MM305430;CCCOC=C(C)C(N)=O;SXQNHXPXUXTKRB-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305431;MM305431;C=C(CC#CCN)C(C)O;GHRPVWQXWGWMSG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305432;MM305432;N#CCC(CC#N)C(N)=O;CXKSLGKILQXDSQ-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305433;MM305433;C=C(CC#CCC)C(C)F;PFQPLTBVIORSBE-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305434;MM305434;C=CCC(CC=C)C(=O)O;OKJQSUPURXTNME-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305435;MM305435;C=C(CC#CCN)C(C)F;ILHBKVVTXOSXAI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305436;MM305436;Cc1c(O)nnn1N;BHBBISXBOSCPHB-UHFFFAOYSA-N;114.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305437;MM305437;C=C(CC#CCO)C(C)F;FAKDFZAPHILBNO-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305438;MM305438;C=CCC(CC=O)C(=C)F;IHPDZEFCDRKHFR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305439;MM305439;C=C(CC#CCF)C(C)F;UIWCSYJPXIQIDF-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305440;MM305440;C=C(F)C(CC=O)CC=O;DYQRHDAPGDUNLI-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305441;MM305441;C=C(CC#CCN)C(F)F;KDGPBOCWFCQVAW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305442;MM305442;C=C(F)C(CC#N)CC#N;VYUDDXZUTDAWDM-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305443;MM305443;CCC#CCC(=O)C(C)C;RAWTVGKVRJNFIJ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305444;MM305444;C=CCC(NC=N)C(=C)C;QEALLXLFJPFXBE-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305445;MM305445;CC(C)C(=O)CC#CCO;IGFWRGFVAKHQFL-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305446;MM305446;CC(=O)C(CC=O)N=CN;UKIRIRURWQNZJM-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305447;MM305447;CC(O)C(=O)CC#CCO;GKMRKOVSLQKTHE-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305448;MM305448;N#CCC(NC=O)C(=N)N;JZACDWBRHBVXMC-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305449;MM305449;O=C(CC#CCO)C(F)F;AEMWGMDDVIXYJG-UHFFFAOYSA-N;148.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305450;MM305450;N#CCC(NC=N)C(N)=O;OSQWFOHGPVMBDT-UHFFFAOYSA-N;140.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305451;MM305451;CCC#CCC(=N)N(C)C;GKMMTQOFPOOGJV-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305452;MM305452;CCC(=NN)OCC(=O)O;VYESKQGUARIVRT-UHFFFAOYSA-N;146.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305453;MM305453;CN(C)C(=N)CC#CCN;RWRJUXKRLILSNK-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305454;MM305454;C=CCC(NN=C)C(=C)C;QVNXIBJJOASURK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305455;MM305455;CN(C)C(=N)CC#CCF;DMTMUMVCYQZQES-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305456;MM305456;CC1CC1(C)C(C)NC=O;OELREPNRVVGERJ-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305457;MM305457;CCC#CCC(=N)N(C)N;CGVCFAPKQZWKFR-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305458;MM305458;C=CC1=NC(=CO)C=N1;ILAUINMVNSXNBR-UHFFFAOYSA-N;122.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305459;MM305459;CCC#CCC(=O)N(C)C;IYXUQSXUKUZYPT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305460;MM305460;CC(C)C(CCF)C(N)=O;PMQHTZIQDWVWOE-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305461;MM305461;CN(C)C(=O)CC#CCN;XWOPUJVBRDRMOA-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305462;MM305462;C=C(C)C(CC=O)OC=O;UEHRUWJIFGFYID-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305463;MM305463;CN(C)C(=O)CC#CCF;AWUNGMJMOSNIQP-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305464;MM305464;CC(=O)C(CC#N)OC=O;FEQLEJIQQPTMET-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305465;MM305465;CCC#CCC(=O)N(C)N;NPALYOALFOVSKF-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305466;MM305466;C=CCC(OC=O)C(=N)N;DNBUGXNVNGMOAK-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305467;MM305467;CCC#CCC(=O)N(C)O;VLEONCMDNNQBIS-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305468;MM305468;C=CCC(OC=O)C(N)=O;LGRQKYZUGSFNNO-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305469;MM305469;C=CC#CCC(=C)C(C)C;SUVUTFAJSGABNJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305470;MM305470;C=CCC(OC=O)C(=C)F;XKHQDTUPRFXCPO-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305471;MM305471;C=C(CC#CC=O)C(C)C;NFLTUBFBQNNYCZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305472;MM305472;C=CCCCNC(=O)CC;HFXCJXVOHPSZGF-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305473;MM305473;C=C(CC#CC#N)C(C)C;KJIIRFDVMKOUJS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305474;MM305474;CC(C=NN)C(F)C(=O)O;NQJUYULTCCXLKC-UHFFFAOYSA-N;148.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305475;MM305475;C=NOC(CC#N)C(=C)F;UBLVRDLYQUUNTB-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305476;MM305476;C=CC#CCC(=C)C(C)N;BYPICHOMFKZBRX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305477;MM305477;N=c1oc(O)nn1O;LMOCNKGAHUPPNP-UHFFFAOYSA-N;117.06;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305478;MM305478;C=Cc1n[nH]c(C)c1C;VYJIYVWIPYJHTG-UHFFFAOYSA-N;122.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305479;MM305479;C=CC(=O)C=NOCC=O;YPYDHZQKWFYNJK-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305480;MM305480;CN=C(C=O)NCC=O;GJAKWHCSWOHIFH-UHFFFAOYSA-N;128.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305481;MM305481;C=NOC(OC=O)C(=C)F;CAZWCGNHTDKBIY-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305482;MM305482;C=CC#CCC(=C)C(C)F;UDUZCHSOOGORJD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305483;MM305483;C=NOC(ON=C)C(=C)F;WTIFUUAVONRSNY-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305484;MM305484;C=C(CC#CC=O)C(C)F;BDPVQUYWDYEEBY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305485;MM305485;C=CCN(CC=C)C(C)=N;REGFFJMMYWIUID-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305486;MM305486;C=C(CC#CC#N)C(C)F;IKLBVUZHLFXOOQ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305487;MM305487;CC(=N)N(CC#N)CC=O;YMJYBYSRKLAWBV-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305488;MM305488;C=CC#CCC(=O)C(C)C;UXYXOKUNKQVTMB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305489;MM305489;C=CCN(CC#N)C(C)=O;PPBMOJLBBWNVKD-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305490;MM305490;CC(C)C(=O)CC#CC#N;IQKPWLFZJADPCN-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305491;MM305491;CC(=O)N(CC#N)CC=O;XEZSMGYJCWWVFK-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305492;MM305492;C=CC#CCC(=O)C(C)O;DTHHYZOKULJLSF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305493;MM305493;CC(=O)N(CC#N)CC#N;YAWXUUFQMLOYNN-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305494;MM305494;CC(O)C(=O)CC#CC=O;OXDUJQBGCJLLCC-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305495;MM305495;C=CCN(CC=C)C(=N)N;IKLZKOIQPGTTFV-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305496;MM305496;C=CC#CCC(=N)N(C)C;JWIBGQSVXZLNPE-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305497;MM305497;C=CCN(CC=O)C(=N)N;JFESSFJTCGLSNC-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305498;MM305498;C=CC#CCC(=O)N(C)C;TWESKEHYKUOPDT-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305499;MM305499;C=CCN(CC=O)C(N)=O;BQFZTQNQLDAMDA-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305500;MM305500;C#CC#CCC(=C)C(C)C;SPFMXMCKKLCNIB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305501;MM305501;N#CCN(CC=O)C(N)=O;DJWNXPCSPNRQOO-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305502;MM305502;C#CC#CCC(=C)C(C)N;XHEGEYABVPHWRV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305503;MM305503;CC(=N)N(CC#N)NC=N;RFWMDQUJDNPNOD-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305504;MM305504;C=CC1(CNC=O)CN1;PENHTQGLENVVQE-UHFFFAOYSA-N;126.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305505;MM305505;CCC(C(N)=O)C(C)CF;HXIXTDWAXGZLGC-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305506;MM305506;C#CC#CCC(=C)C(C)F;DGKIDBPUTCWLID-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305507;MM305507;CC(=O)N(CC#N)NC=O;FBOQUFVDNCTTPL-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305508;MM305508;C#CC#CCC(=O)C(C)C;VRKUASYOBKARGP-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305509;MM305509;N#CCN(NC=N)C(=N)N;VNJCRECTWSKUHF-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305510;MM305510;C#CC#CCC(=O)C(C)F;BXARPAARSFIAHZ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305511;MM305511;N#CCN(NC=N)C(N)=O;SAQREJFISSYXNW-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305512;MM305512;C#CC#CCC(=N)N(C)C;SOCDAXGHXDYFND-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305513;MM305513;NC(=O)N(CC=O)NC=O;PAZFLHSGIRQDTA-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305514;MM305514;C#CC#CCC(=O)N(C)C;OFFPAMNDKIUXKZ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305515;MM305515;N#CCN(NC=O)C(N)=O;UACMNRNOAZRIRW-UHFFFAOYSA-N;142.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305516;MM305516;C#CC#CCC(=O)N(C)O;QLPYIXPBKREJFE-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305517;MM305517;CC(=N)N(CC#N)OC=O;FEEBDRRPXHRNOC-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305518;MM305518;C=C(C)C(=C)CC#CCC;IFJYHUABPGDYND-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305519;MM305519;CC(=O)N(CC#N)OC=O;YEDJMPUARKLKFF-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305520;MM305520;C=C(C)C(=C)CC#CCN;UTCHCJIYVGMQEE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305521;MM305521;C#CCC(CC=O)C(=C)C;INTSCPIHABETHF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305522;MM305522;C=C(C)C(=C)CC#CCO;KTEWZSNBIOSPCE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305523;MM305523;C#CCC(CC=C)C(=O)O;HMOPOAVZQRTQHW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305524;MM305524;C=C(C)C(=C)CC#CCF;QKRLZPPBWKCBBY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305525;MM305525;C#CCC(NC=N)C(=C)C;AVWDIZRKPMDYMH-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305526;MM305526;C=C(CC#CCC)C(C)=O;SWDOCHSWAQQFAO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305527;MM305527;C#CCC(NN=C)C(=C)C;LCEKAHUMISIUCV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305528;MM305528;C#CCC(OC=O)C(C)=O;HTDADFUDHUQIQC-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305529;MM305529;C=C(CC#CCF)C(C)=O;GPGFQSGZXLFSTO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305530;MM305530;C#CCN(CC=O)C(=N)N;BMGWMNHRJPUWGO-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305531;MM305531;C=C(CC#CCC)C(=N)N;CGPGTOLOHWUDQV-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305532;MM305532;C#CCN(CC#N)C(N)=O;DAZGIUZZVHMLHF-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305533;MM305533;C=C(CC#CCN)C(=N)N;PADLWDBOIADPMS-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305534;MM305534;C#CCN(NC=N)C(=N)N;OTNKDFJKFZNVTE-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305535;MM305535;C=C(CC#CCF)C(=N)N;AEVKARKWGJKPOR-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305536;MM305536;C#CCN(NC=N)C(N)=O;GVKCFPIDFFORLJ-UHFFFAOYSA-N;140.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305537;MM305537;COC1=NOC(C=O)C1;YNPHBWGFDZEWHR-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305538;MM305538;C#CCN(NC=O)C(N)=O;MXZRFMLPDAFTLO-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305539;MM305539;C=C(CC#CCN)C(N)=O;ABKGFLLHXBPHSS-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305540;MM305540;C#CCN(OC=O)C(=N)N;KPDBQTUOUDLHGQ-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305541;MM305541;C=C(CC#CCC)C(=O)O;OBZAJZFIJAIOLV-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305542;MM305542;C#CCN(OC=O)C(N)=O;SLEJDSCJPFFSSW-UHFFFAOYSA-N;142.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305543;MM305543;C=C(F)C(=C)CC#CCC;YLVYDDWXKCGLIQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305544;MM305544;C#CCC(CC#C)C(N)=O;DQSDTBAABLOVHX-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305545;MM305545;C=C(F)C(=C)CC#CCN;XQBRUYUEPXZQRH-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305546;MM305546;CC(C)C(C=CF)CCN;OPYLOCYJHZOTMQ-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305547;MM305547;C=C(F)C(=C)CC#CCO;PKHJOPDWNRVCNQ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305548;MM305548;CC(C)C(C=CF)CCF;CGMDCOQZQYNMIE-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305549;MM305549;C=C(C)C(=O)CC#CCC;RMUPIGULGQQRCM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305550;MM305550;CCCC(C=CF)C(C)N;HXKAKZTXMWGUJM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305551;MM305551;C=C(C)C(=O)CC#CCF;FQIJLCFUEFMPGX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305552;MM305552;CC=CC(CCF)C(C)N;PLYKBHYRBIJUQO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305553;MM305553;CCC#CCC(=O)C(C)=O;MAWLPEFPRYETAK-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305554;MM305554;CC(N)C(C=CF)CCF;RIUNVNMCDWEAEV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305555;MM305555;CC(=O)C(=O)CC#CCF;LYSMYKGNECKPTP-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305556;MM305556;CC=CC(CCF)C(C)O;NDOQMJWRIHMEBH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305557;MM305557;CCC#CCCNC=O;WOVLRPXGEMVXQO-UHFFFAOYSA-N;125.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305558;MM305558;CC(O)C(C=CF)CCF;BCKMNNOORJYEEH-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305559;MM305559;CC(F)C(C=CF)CCN;OYOCINJSWUGLAA-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305560;MM305560;C=C(C)C(=O)NC(C)(C)C;QQZXAODFGRZKJT-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305561;MM305561;CC(F)C(C=CF)CCF;QGOWIVLNPHCAEA-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305562;MM305562;CCC#CCC(=O)C(N)=O;VWBNJHKCQAIFAI-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305563;MM305563;CCCC(C=CF)C(F)F;HYRYYLUMBQSRFH-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305564;MM305564;NC(=O)C(=O)CC#CCF;POYVYEWOUUVPSS-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305565;MM305565;FC=CC(CCF)C(F)F;JCPSXUCKSNKEPZ-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305566;MM305566;C#Cc1[nH]nc(F)c1O;UXIGRQKCWVYPFD-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305567;MM305567;CC(C)C(C=NN)CCF;QDQNJIFVXPDCAD-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305568;MM305568;C=CC#CCC(=C)C(=C)C;NWDDCAHYJBGUOP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305569;MM305569;CC(O)C(C=NO)CCO;ZNVNRZLGJRYIJJ-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305570;MM305570;C=C(C)C(=C)CC#CC=O;OJRIVQBJLIPHHB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305571;MM305571;CC(O)C(C=NO)CCF;UNMZLBFTZJOAGH-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305572;MM305572;C=C(C)C(=C)CC#CC#N;LZYOIBZHOQPJEM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305573;MM305573;CC(F)C(C=NN)CCF;ORNHEIFRHRKIHV-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305574;MM305574;C=CC#CCC(=C)C(C)=O;PQJDSQZFOJDNFA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305575;MM305575;CC(F)C(C=NO)CCF;NOHQDFMNPRFPMT-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305576;MM305576;C=C(CC#CC#N)C(C)=O;ZZBPUBTZEWHRSD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305577;MM305577;C=CC(CF)=NOCC=O;PLKLEEYJKZRJDQ-UHFFFAOYSA-N;145.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305579;MM305579;CNCC(C=CF)C(C)F;PWJRQRDBDRYACC-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305578;MM305578;C=CC#CCC(=C)C(=N)N;KWOMGTWKOAZKPO-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305580;MM305580;C=C(CC#CC#N)C(=N)N;IWGVZEBHMQYDRQ-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305581;MM305581;CNCC(C=CF)C(F)F;UAZBETUSLFZZRF-UHFFFAOYSA-N;153.15;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305582;MM305582;CC(F)=CCC=CC(N)=O;DDINQMGUFDAJHL-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305583;MM305583;CNCC(C=NN)C(C)C;OCDGBPDIOZQPBQ-UHFFFAOYSA-N;143.23;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305584;MM305584;C=C(CC#CC#N)C(N)=O;GYJRMJUSNMAWPU-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305585;MM305585;CNCC(C=NO)C(C)C;GCXKAZZFDZJDRZ-UHFFFAOYSA-N;144.22;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305586;MM305586;C=CC#CCC(=C)C(=O)O;DNQJNOAIWCOJGR-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305587;MM305587;CC=CC(COC)C(C)N;OERDCUIXXQJTGO-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305588;MM305588;C=C(CC#CC#N)C(=O)O;BBCWXKXEMYHNCG-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305589;MM305589;COCC(C=CF)C(C)O;AVPAWDNIFNKLRJ-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305590;MM305590;C=CC#CCC(=C)C(=C)F;NLDHJTAPZWDFOR-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305591;MM305591;CCNC(C=CF)C(C)C;ACZRKBAYJGNYPL-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305592;MM305592;C=C(F)C(=C)CC#CC#N;TYROOAZSFGVDNR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305593;MM305593;CCNC(C=NN)C(C)C;SVKVZDFJIVYWQS-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305594;MM305594;C=CC#CCC(=O)C(=C)C;OQEFFNZKHNPBHU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305595;MM305595;CCNC(C=NO)C(C)C;ZJIXQVCFVHGQNB-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305596;MM305596;C=C(C)C(=O)CC#CC=O;ONRJHIRYLUSTOR-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305597;MM305597;CN(C)C(C=NO)CCN;KLEYCCJRQWNKJN-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305598;MM305598;C=C(C)C(=O)CC#CC#N;QXUJQDHCIOFBJB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305599;MM305599;CNCC(C=NN)N(C)C;NJXMMFBKLRDOFM-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305600;MM305600;C=CC#CCC(=O)C(C)=O;FXLYVKOMOXARFY-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305601;MM305601;CN=CN(CCF)C(C)C;KDAFGRJZQRUGGM-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305602;MM305602;CC(=O)C(=O)CC#CC#N;XOKHEULPIXWKCA-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305603;MM305603;N=CN(C=N)C(=O)CCF;CWOQTSGWBXBHMW-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305604;MM305604;CC(C=CF)C=CC(N)=O;KXEBLLBKWWANJP-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305605;MM305605;CCON(C=NO)C(C)C;QZSOAVRUGRDILZ-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305606;MM305606;CC(=CF)CC=CC(N)=O;FAVQSIOKAPHXJI-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305607;MM305607;CCC1(C(C)NC=O)CC1;MEBGAWIFCNJYTP-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305608;MM305608;C=CC#CCC(=O)C(N)=O;MTCXXFJGVAYIIC-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305609;MM305609;CC=CC(CC=O)C(C)C;DHGVOMOKNKVLQI-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305610;MM305610;C=C(F)C(=O)CC#CC#N;MLOOXUIEGGBLLV-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305611;MM305611;C=CCC(C=CC)C(C)N;JHFSQZIAVCTGPT-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305612;MM305612;C#CC#CCC(=C)C(=C)C;GMWQZIRFVNWIHG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305613;MM305613;C=CCC(C=CF)C(C)N;WWOQNKGGFLUFEP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305614;MM305614;C#CC#CCC(=C)C(C)=O;ULCSALIYEGNYDG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305615;MM305615;C=CCC(C=CF)C(C)F;DUYQEDPYEQZXSK-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305616;MM305616;C#CCC(C)CC(=O)NC;OKHAMZWAHPDLJF-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305617;MM305617;CC=CC(CC=O)C(C)F;DXFQABRQZSERFU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305618;MM305618;C#CC#CCC(=C)C(=O)O;LYPYYIQEQSWXJY-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305619;MM305619;CC(F)C(C=CF)CC=O;ZMRIRLATUWSMKC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305620;MM305620;C#CC#CCC(=C)C(=C)F;VTFNWQYJSIWEJD-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305621;MM305621;C=CCC(C=CF)C(F)F;ZWZHWAKQJBYHSF-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305622;MM305622;C#CC#CCC(=O)C(=C)C;AUKAEGMNBDCUCH-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305623;MM305623;CC(C)C(C=NO)CC=O;YXIZPCNWFROMFO-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305624;MM305624;C#CC#CCC(=O)C(C)=O;ZZCPKSNJBNLKPO-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305625;MM305625;C=CCC(C=NO)C(C)N;BFMXTXFFWITHST-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305626;MM305626;CC(C)=CC(C)NC=O;AHFFPQGLKCAHQV-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305627;MM305627;CN=c1cc[nH]nnc1=N;SBUMCWIEBFSEQZ-UHFFFAOYSA-N;137.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305628;MM305628;C=CCC(C=NO)C(C)F;NUKVKVFKUYGQBE-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305629;MM305629;CCCC=CC(C)C(C)C;OHBQTTSEWGTSMQ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305630;MM305630;CC(C)C(C=CF)NC=N;PREKDAHIHSADEO-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305631;MM305631;CC(C)C(C)C=CCCN;ITNVHXUYYDKYQR-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305632;MM305632;CNC(=O)CC=C(C)C;YOWOYSFVFYIVIH-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305633;MM305633;CC(C)C(C)C=CCCO;GWLWHHRIJFNBIU-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305634;MM305634;CC=CC(NC=N)C(C)O;ZOUOYQMYXZIIDQ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305635;MM305635;CC(C)C(C)C=CCCF;DFPWEMXFJJYGTL-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305636;MM305636;CC(C)C(C=NN)NC=N;VXSHLJHYASUFTB-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305637;MM305637;CCCC=CC(C)C(C)N;XISPCQHCEFZDEF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305638;MM305638;C=C(F)C=NOCC=O;HYUIUFGMDKXFHL-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305639;MM305639;CC(N)C(C)C=CCCN;XJQRXFSAKIIWEN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305640;MM305640;C=NNC(C=CC)C(C)C;GIEQCEDLPKCCAN-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305641;MM305641;CC(N)C(C)C=CCCF;BWBGJKBPAGWABO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305642;MM305642;CC=CC(OC=O)C(C)N;LNBWNYMCYYRUOO-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305643;MM305643;COCC(NC=O)C(C)C;CZGINGKBXLMBSP-UHFFFAOYSA-N;145.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305644;MM305644;CC(F)C(C=CF)OC=O;FMIQMRZZKHUONB-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305645;MM305645;CC(O)C(C)C=CCCN;YYBIAIATRYUCJF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305646;MM305646;C=CCC(=C)CNC=O;ZVJGKEOFGPWGEZ-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305647;MM305647;C#CC(C)(C=C)CNC=O;KPDXSZXBMTXPNX-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305648;MM305648;C=CCC(C=CF)N(C)C;ZEWLAWYNSUWIDF-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305649;MM305649;C=CC1(C=C)NC1C(N)=O;WHXDHGYNBSUMJO-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305650;MM305650;C=CC=C(C)CNC=O;IOIQPYDNLATGOR-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305651;MM305651;CC(F)C(C)C=CCCN;MHMHAFFREMJTNI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305652;MM305652;CCC(C)N(C)C(N)=O;IBFMYBCKBXHSFK-UHFFFAOYSA-N;130.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305653;MM305653;CCCC=CC(N)C(C)C;BDVCGJXQVHVRJY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305654;MM305654;C=CCN(C=NC)N(C)C;SBAYTFJMJVUECB-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305655;MM305655;CC(C)C(N)C=CCCN;VCMRMNVQXRQMCJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305656;MM305656;CN(C)N(C=NO)CC#N;YLRDURAILQADFM-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305657;MM305657;C#CCC(C=CF)C(C)N;NETSPDNJWPZDCF-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305658;MM305658;CC(C)C(N)C=CCCF;QWFHCVWNHHZVCB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305659;MM305659;C#CCC(C=NN)C(C)C;ULSOESHZMSCBHS-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305660;MM305660;CCCC=CC(N)C(C)N;STUBFGXNAVZNKY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305661;MM305661;C#CCC(C=NO)C(C)C;QFOSNSVBQOEYDC-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305662;MM305662;CC(N)C(N)C=CCCN;ZNLCNUFCTZHIIX-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305663;MM305663;C#CCN(C=NC)C(C)C;NQWGFEQHWDRENC-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305664;MM305664;CC(N)C(N)C=CCCO;HUGZPVSLXSSOKY-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305665;MM305665;C=C(C)C(C=CF)CCF;BNQNRMIPBJECTR-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305666;MM305666;CC(N)C(N)C=CCCF;BYVJMLGZUSISOO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305667;MM305667;CC=CC(CCC)C(=N)N;GWDIDOYCSCVZIU-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305668;MM305668;CCCC=CC(N)C(C)F;URYADSNHPSDNPC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305669;MM305669;CCCC(C=CF)C(=N)N;XICKJRSBCAETRI-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305670;MM305670;CC(F)C(N)C=CCCF;JKLMDOXVEPUIEM-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305671;MM305671;CC=CC(CCO)C(=N)N;XATMABOMVMLWRI-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305672;MM305672;C=CC1(CNC(C)=O)CC1;QPYAKTDGMBOPGA-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305673;MM305673;CC=CC(CCF)C(=N)N;WWNTYSUILSDKIQ-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305674;MM305674;CC(C)C(O)C=CCCN;HUUYQTVBOMIASA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305675;MM305675;CCCC(C=CF)C(N)=O;USZBFTVLHPEJRN-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305676;MM305676;CCC(=O)C(=N)NCC=O;QDDUWWQLPBFQQL-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305677;MM305677;CC=CC(CCF)C(N)=O;SIJFRSXKEFOIPY-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305678;MM305678;C=CC=CCNC(=O)CC;AITMRBCTUCPXIM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305679;MM305679;CC=CC(CCC)C(=O)O;WTMAHJABDOHPDJ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305680;MM305680;CCCC=CC(O)C(C)N;OKOATCJVZJQNBA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305681;MM305681;CCCC(C=CF)C(=O)O;HJEDKQJWFMHAIS-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305682;MM305682;CCCC=CC(O)C(C)O;FICYJUWBJVOPSK-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305683;MM305683;CC=CC(CCF)C(=O)O;BNTFWEFJMCWGBU-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305684;MM305684;CC(F)C(O)C=CCCN;WTVLJGUQWDZTQB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305685;MM305685;O=C(O)C(C=CF)CCF;FLUZHIMTSURLAO-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305686;MM305686;C=C(F)C(C=CF)CCN;KDBFCZXWZQYPIW-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305687;MM305687;NCCC=CC(O)C(F)F;WGCQMNGDKCLPTQ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305688;MM305688;C=C(C)C(C=NO)CCN;HSTTWUZMGIAZDY-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305689;MM305689;OCCC=CC(O)C(F)F;YJXGTMSXMATOND-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305690;MM305690;C=C(C)C(C=NN)CCF;YITXGTXXLMMULU-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305691;MM305691;CCCC=CC(F)C(C)C;LTDJWUPJYBANIH-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305692;MM305692;C=C(C)C(C=NO)CCF;OWAXORVHEUCFEC-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305693;MM305693;CCCC=CC(F)C(C)N;AAEFPXBEHXMSMM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305694;MM305694;CC(=O)C(C=NO)CCF;LSCFFYXRERZUQX-UHFFFAOYSA-N;147.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305695;MM305695;CC(N)C(F)C=CCCN;YQMIYAXOTIKOPT-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305696;MM305696;CCCC(C=NN)C(=N)N;RQEVNSOMPVTEQC-UHFFFAOYSA-N;142.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305697;MM305697;CC(N)C(F)C=CCCO;DARWJMTXFIBPKS-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305698;MM305698;NC(CC(=O)O)=NOC=O;QDHTYDQBSNSPTH-UHFFFAOYSA-N;146.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305699;MM305699;CNCC=CC(C)C(C)C;FOYQAKDNGFTIST-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305700;MM305700;C=C(F)C(C=NN)CCF;NQQPIUCCKZIVOI-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305701;MM305701;CNCC=CC(C)C(C)F;YZLGKKJJXDHXRG-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305702;MM305702;C=C(C)C(C=CC)CNC;CXSIOQSKNZJNOU-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305703;MM305703;CNCC=CC(C)C(F)F;ABMBTVGULXAYSZ-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305704;MM305704;C=C(C)C(C=CF)CNC;KLAHJJITLZUNSZ-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305705;MM305705;CNCC=CC(O)C(C)N;DBNIIKZYYCSSJP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305706;MM305706;CNCC(C=CF)C(=N)N;PQYDUFODXWLMEW-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305707;MM305707;CNCC=CC(O)C(F)F;LETZPMCFSSRPII-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305708;MM305708;C=C(F)C(C=CF)CNC;HOOXNCOGCWIXPX-UHFFFAOYSA-N;147.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305709;MM305709;CNCC=CC(F)C(C)C;VIWSPZZLSAZOOD-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305710;MM305710;C=C(C)C(C=NO)CNC;LZEUDETVOARNLN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305711;MM305711;COCC=CC(O)C(C)C;GXCNHLUICKFTLJ-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305712;MM305712;COCC(C=NO)C(=N)N;LJPMCVXSFUOELN-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305713;MM305713;COCC=CC(O)C(C)F;OGQRFRFJGGXBMO-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305714;MM305714;CC(CC=NN)C(N)=O;NHGDDZCQCKGEIN-UHFFFAOYSA-N;129.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305715;MM305715;COCC=CC(F)C(C)O;NIWINAZKABKPFM-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305716;MM305716;C=C(C)C(C=CF)NCC;DLDOCLGRQLOPKD-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305717;MM305717;CCOC=CC(C)C(C)F;ZZTYPVFVZLXNCO-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305718;MM305718;CCNC(C=CF)C(=N)N;DBUVJHKUNLSZOW-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305719;MM305719;CCOC(C=CF)C(=N)N;HZGWGLCIMGRVOE-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305720;MM305720;CCOC=CC(O)C(C)N;QTVPJOXVAQLQFV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305721;MM305721;CCOC(C=CF)C(N)=O;ZHHAZJXAZFNWFS-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305722;MM305722;CCNN=CC(C)C(C)C;CBJWCFRCOOBLPY-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305723;MM305723;C=CCC=CC(=O)NC;IWGXZIFMMRLUDD-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305724;MM305724;CCNN=CC(N)C(C)N;KTRYVYZWWOGWFG-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305725;MM305725;CC=CN(CCF)C(C)=N;IZXYVSCCSXPLSG-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305726;MM305726;CCNN=CC(O)C(C)N;NQLXOHWJXYHYCD-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305727;MM305727;CC=CN(CCC)C(=N)N;XKIFSQOMRVRRQT-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305728;MM305728;CCON=CC(C)C(C)N;XQEMZNZLTSPVAF-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305729;MM305729;CC=CN(CCO)C(=N)N;GNNWCJSSBANWRF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305730;MM305730;CCON=CC(N)C(C)C;HLGGHKDXUTZLMB-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305731;MM305731;CCCN(C=NC)C(C)=N;AFZJYUSHZOGJCP-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305732;MM305732;CCON=CC(N)C(C)O;OVQFAYWRKMWQDM-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305733;MM305733;CN=CN(CCF)C(C)=N;KCXNNVKBUDBLNH-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305734;MM305734;CCON=CC(O)C(C)N;GUMJNVKFZMAHGV-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305735;MM305735;CCCN(C=NO)C(N)=O;ATIDFNJQUOHMKG-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305736;MM305736;CCCC=CC(C)N(C)C;YYEPTVUIPMDLIH-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305737;MM305737;NC(=O)N(C=NO)CCO;YNDCZYVFRHWCLX-UHFFFAOYSA-N;147.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305738;MM305738;CC(C=CCCO)N(C)C;ZMLZOTLOPZMZFV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305739;MM305739;CC=NN(CCF)C(C)=N;PIPVPYFWGPOJEV-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305740;MM305740;CNCC=CC(C)N(C)C;ZIMUXLGFTCWJSO-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305741;MM305741;CC=NN(CCN)C(=N)N;QVEDIBNCCQSMDR-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305742;MM305742;COCC=CC(C)N(C)C;ZCXGYRXQHIEAEM-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305743;MM305743;CC=NN(CCN)C(N)=O;XCYMOKPFNWTNCF-UHFFFAOYSA-N;144.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305744;MM305744;CC(C)N(C)C=NCCF;NKYPDUJNFBQMHG-UHFFFAOYSA-N;146.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305745;MM305745;CCNN(C=CF)C(C)=O;ASPZTQBMLVYMEP-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305746;MM305746;CCNN(C=NC)C(C)=O;ATRVCMSCQRJVMH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305747;MM305747;CCCN=CN(N)C(C)C;DLECWVXWGFDTJP-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305748;MM305748;CCON(C=CF)C(N)=O;DAFXAAFFANVBIT-UHFFFAOYSA-N;148.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305749;MM305749;CCNN=CN(C)C(C)C;HEOGTAGPEMYTSQ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305750;MM305750;C=C(C)C(C=CC)CC=O;TWEUQOFAZSCETA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305751;MM305751;CCCC=NN(C)C(C)C;GFNIOWSMGXLDRA-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305752;MM305752;C=C(C)C(C=CF)CC=O;WFFXRAPQAIKIIA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305753;MM305753;CN(C)N(C)C=NCCO;KRVDXZQMCVEHKP-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305754;MM305754;C=CCC(C=CF)C(C)=O;QMXSOYILZVGNDA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305755;MM305755;CN(C)N(C)C=NCCF;MRQGGSRGSVZQLN-UHFFFAOYSA-N;147.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305756;MM305756;C=CCC(C=CC)C(=N)N;BWLOFDOMXFTRJT-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305757;MM305757;C=CCC=CC(C)C(C)N;OLUGCMQSACPQOS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305758;MM305758;C=CCC(C=CF)C(=N)N;IEYZRSSWGCZATP-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305759;MM305759;C=CC(F)C(C#N)=NNC;BYQDNILUXHOMSP-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305760;MM305760;CC=CC(CC=O)C(=N)N;ISEKADKQLTTWQZ-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305761;MM305761;CCC(CNC=O)C(C)F;CDLQTBUZDFPGQH-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305762;MM305762;N=C(N)C(C=CF)CC=O;XOOVJHCVVYILPR-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305763;MM305763;CC(F)C(C)C=CCC=O;LKVJFTHRIKVUGS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305764;MM305764;N#CCC(C=CF)C(=N)N;FGTUPMNWIXMBJB-UHFFFAOYSA-N;141.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305765;MM305765;C=CCC=CC(N)C(C)C;DRITZYKSLCYKRO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305766;MM305766;C=C(C(N)=O)C1CN1C;DOLRFXNNYCHKTC-UHFFFAOYSA-N;126.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305767;MM305767;C=CCC=CC(N)C(C)F;FEQAUWWGNQRSQF-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305768;MM305768;C=CCC(C=CF)C(=O)O;JNFJIPFULGUQEO-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305769;MM305769;CCNc1cc(C#N)on1;QAYHYKDVKNMMKO-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305770;MM305770;C=C(C)c1oc(=O)oc1O;LYEDFVCOKFWPJE-UHFFFAOYSA-N;142.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305771;MM305771;C=CCC#CCCNC=O;QZLAZRCVSPSLNE-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305772;MM305772;CONC(=O)C(O)CC#N;UWBVELQGJMAIGQ-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305773;MM305773;CN(C)CC(=O)C#N;SLRAIZSLJSPUDN-UHFFFAOYSA-N;112.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305774;MM305774;C=C(F)C(C=CC)CC=O;AKCNWZCZIBKTQO-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305775;MM305775;N#CCC=CC(O)C(F)F;CROGHZLJCYXIQJ-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305776;MM305776;C=C(F)C(C=CF)CC=O;IUJFOXKJOFIVPZ-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305777;MM305777;CC(C)C(C)C=CNC=N;CAKBRWQGAHGQTM-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305778;MM305778;C=CCC(C=NO)C(C)=O;OHSKVFFVNITPGW-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305779;MM305779;CC(C)C(C)C=CNC=O;RSTCTRBXVCTLRQ-UHFFFAOYSA-N;141.21;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305780;MM305780;N#Cc1[nH]nc(N)c1N;ROMPRHCPGMAAOD-UHFFFAOYSA-N;123.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305781;MM305781;CC(N)C(C)C=CNC=N;RCHBCIGPKCDURX-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305782;MM305782;NC(=O)C(O)CC(=O)O;LBHSPGVVTCCSOH-UHFFFAOYSA-N;133.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305783;MM305783;CC(N)C(C)C=CNC=O;SNDPLUPYDYCRJL-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305784;MM305784;CC(O)C#CC=CC(=O)O;CGRPMDQVWURZED-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305785;MM305785;CC(O)C(C)C=CNC=N;IJHXVTFNPBUEFZ-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305786;MM305786;C=C(F)C(C=NO)CC=O;INIOZYMCAFAIMS-UHFFFAOYSA-N;145.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305787;MM305787;CC(O)C(C)C=CNC=O;VASIOYDPCKEXOZ-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305788;MM305788;C=C(C)C(C=CC)NC=N;WMNPYQQRERZDSQ-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305789;MM305789;CC(F)C(C)C=CNC=N;GGKUKHIWWILNBK-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305790;MM305790;C=C(C)C(C=CF)NC=O;BSRMHPMCUJBVTO-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305791;MM305791;CC(F)C(C)C=CNC=O;CLXABVJPRASIKN-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305792;MM305792;CC=CC(N=CN)C(C)=O;YOYSZSYBFLJMQM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305793;MM305793;CC(C=CNC=O)C(F)F;BYYRHABCGFIQFA-UHFFFAOYSA-N;149.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305794;MM305794;C=C(C)C(C=NO)NC=N;CBIKVHIWZDSSGX-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305795;MM305795;CC(C)C(N)C=CNC=N;MEAIWEIINXXTSB-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305796;MM305796;C=Cc1[nH]nc(F)c1N;BUPFQXAKGBWWIE-UHFFFAOYSA-N;127.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305797;MM305797;CC(F)C(O)C=CNC=N;SFHGYESHZLYAML-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305798;MM305798;COn1cc(O)c(F)n1;MVWTYHZDYZHXCI-UHFFFAOYSA-N;132.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305799;MM305799;C=COC=CC(N)C(C)N;MYCHAOZAMPKZOT-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305800;MM305800;C#CC(F)=CC(C#N)=NO;MKXTZOZOIREYSP-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305801;MM305801;CC(N)C(O)C=COC=O;KAVGZHRPQBVMDB-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305802;MM305802;C=C(F)C(C=NN)NC=N;PDHLILZIGCORKT-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305803;MM305803;C=COC=CC(F)C(C)C;XGSLRXBAOSHZJQ-UHFFFAOYSA-N;144.19;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305804;MM305804;C=NNC(C=CC)C(=C)C;WIGMKIHKNJWSOM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305805;MM305805;C=COC=CC(F)C(C)N;DMLVDJSPWPKGAQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305806;MM305806;C=NNC(C=CF)C(=C)C;IUBAFPQTIGTFJK-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305807;MM305807;CC(N)C(C)C=NNC=N;LTPJDFUKGFDZGF-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305808;MM305808;C=COC(C=NN)C(=N)N;FKRHSGAHFDYICU-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305809;MM305809;CC(N)C(C)C=NNC=O;ZXNRVLWQWIUDMD-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305810;MM305810;C=NOC(C=CC)C(=N)N;DPEVLZMRZFFVEW-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305811;MM305811;CC(C)C(N)C=NNC=O;LHJQBZUZFAIKMY-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305812;MM305812;CCC1NC1C(=O)C=O;FAZIUNDNMSWCJN-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305813;MM305813;CC(N)C(O)C=NNC=N;LXBHCQZFPXGOKQ-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305814;MM305814;C=C(C(N)=O)C(C)(C)OC;DQMLWXLGYFHBCP-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305815;MM305815;CC(N)C(O)C=NNC=O;QQSDIYUZUIOHGB-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305816;MM305816;CCCNC(=O)C=C(C)C;KGUVELMKJPXOAI-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305817;MM305817;CC(O)C(O)C=NNC=O;YXOXLVJMWAUVOO-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305818;MM305818;N=c1[nH]n(O)c(=O)n1O;NJAZMERWRRLGKS-UHFFFAOYSA-N;132.08;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305819;MM305819;CC(C)C(F)C=NNC=O;KKRWQKHHMBBEIY-UHFFFAOYSA-N;146.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305820;MM305820;C=CCN(C=CF)C(=N)N;VSOWWMLVSQRRKL-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305821;MM305821;O=CNN=CC(F)C(F)F;LQPPIGSQJIOTEF-UHFFFAOYSA-N;154.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305822;MM305822;CC=CN(CC=O)C(=N)N;CXJWOELXRWQRPQ-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305823;MM305823;CC(N)C(O)C=NOC=O;DMDVFQCBYBYWDL-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305824;MM305824;NC(=O)N(C=CF)CC=O;UAGZJVFXIWFOMG-UHFFFAOYSA-N;146.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305825;MM305825;O=CON=CC(O)C(F)F;ZEXJZSOWATVSAV-UHFFFAOYSA-N;153.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305826;MM305826;N#CCN(C=CF)C(N)=O;ZGVPNBMYTCTOPT-UHFFFAOYSA-N;143.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305827;MM305827;C=CNC=NC(C)C(C)C;RQXKNATVJGELCY-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305828;MM305828;CC(CF)CC(C)C(N)=O;ONTVRPVHIRBHHA-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305829;MM305829;C=CCC=CC(C)N(C)C;GQECKTFDYXUATQ-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305830;MM305830;C=CCN(C=NC)C(C)=N;LFVVEADCUAPCIK-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305831;MM305831;CC(C=CCC=O)N(C)C;SDCAUKHHFSNUSU-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305832;MM305832;CN=CN(CC=O)C(C)=N;HXQUFLZFRYAGER-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305833;MM305833;CC(C=CNC=N)N(C)C;UGAFFZNEDYHKFS-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305834;MM305834;CC(C=NN)=CCC(N)=O;IEFZZAWEEFWEJQ-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305835;MM305835;C=COC=CC(C)N(C)C;KORBYFLQLOBEMP-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305836;MM305836;C=CCN(C=NC)C(C)=O;ZUXYLKDDOSKMTA-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305837;MM305837;CC(C=COC=O)N(C)C;UUVPZRXPVJCBDJ-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305838;MM305838;CC(=O)N(C=NO)CC#N;RNSLHTVGUMMKBT-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305839;MM305839;C=CCN(C=NN)C(=N)N;YTYJVNRAYVQPQY-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305840;MM305840;CN(C)N(C)C=NNC=O;KNSBHNFXDRBDGI-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305841;MM305841;C=CCN(C=NO)C(=N)N;KYLSSKIRALILPR-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305842;MM305842;Cc1[nH]c(N)cc1F;VSMMRTJDZOXLKA-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305843;MM305843;N=C(N)N(C=NO)CC=O;FTTUQPYAQKYORJ-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305844;MM305844;C#CCC=CC(C)C(C)F;FBVCRJXKFDXKPL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305845;MM305845;CCC(C)C(C)NC(C)=O;ZKZKEMLLPRDETN-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305846;MM305846;CNC(=O)C(C)=CN;LVSQKUXGNQGDHD-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305847;MM305847;C=C(C)N(C=NN)NC=N;PRKINRLKTQYOMQ-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305848;MM305848;C#CCC=CC(C)N(C)C;OUOUTOOTQGPMMG-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305849;MM305849;CCC1(C)CC(NC=O)C1;YBPFWUUYEYMVIV-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305850;MM305850;C#CCC=NN(C)C(C)C;ZUTNQYGKDDTNIW-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305851;MM305851;C=C(C)N(C=NO)OC=O;XRPRSITZJUILCB-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305852;MM305852;C=C(C)C(C)C=CCCC;MTEJVSONEZOJFJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305853;MM305853;CN=CN(OC=O)C(=N)N;GOWWODWHAIUYNW-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305854;MM305854;C=C(C)C(C)C=CCCO;HVWURQXSTMYELE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305855;MM305855;NN=CN(OC=O)C(N)=O;IFRVLLVTPOVDGO-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305856;MM305856;CCCC=CC(C)C(C)=O;VDLXIUNJRQKEFD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305857;MM305857;CC(=O)C(C)C=CCCO;IKJBZUCCEKNONV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305858;MM305858;NC(=O)N(C=NO)OC=O;HHOHPWMIBGXUEN-UHFFFAOYSA-N;147.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305859;MM305859;CC(=O)C(C)C=CCCF;IQCRZCVCHRNGNT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305860;MM305860;C#CCC(C=CC)C(=N)N;ZBJVGGAMEFCPDA-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305861;MM305861;CCCC=CC(C)C(=N)N;KKQSQRAAKNYSGY-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305862;MM305862;C#CCC(C=CC)C(N)=O;LFUSWBSNLOEANQ-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305863;MM305863;CC(C=CCCO)C(=N)N;QHLPEDMDJHENFI-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305864;MM305864;C#CCC(C=CF)C(N)=O;FKBHBYJVCQMASA-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305865;MM305865;CC(C=CCCF)C(=N)N;UKPZLIBNUSTUQN-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305866;MM305866;C#CCC(C=CF)C(=O)O;ZBGYLEQOBDKSAX-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305867;MM305867;N=C(C=O)NCC=O;RSBTXOXNQWDIAM-UHFFFAOYSA-N;114.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305868;MM305868;C#CCC(C=NO)C(=C)C;PRVFJFPLHVBNQS-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305869;MM305869;CCCC=CC(C)C(=O)O;LRZXDRRHQSVUDI-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305870;MM305870;C#CCN(C=CC)C(C)=N;NVOMSTCWLAMIHK-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305871;MM305871;CC(C=CCCF)C(=O)O;PLIQUMOZNRVBMG-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305872;MM305872;C#CCN(C=CF)C(C)=N;JHVACYCQAULJTM-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305873;MM305873;C=C(F)C(C)C=CCCC;YZVXKVHJWRMUEH-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305874;MM305874;C#CCN(C=CC)C(=N)N;NKUYWDHBPSZANO-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305875;MM305875;C=C(F)C(C)C=CCCN;YPGXMFZUXLZQED-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305876;MM305876;C#CCN(C=CC)C(N)=O;CFHDWAOLUYAYAO-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305877;MM305877;C=C(C)C(N)C=CCCC;UBMSDNRSSNEREB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305878;MM305878;C#CCN(C=NC)C(=C)C;LQDUKEREVMYNKD-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305879;MM305879;C=C(C)C(N)C=CCCN;XBMLGIWVAASRFE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305880;MM305880;C#CCN(C=NO)C(C)=O;SNXMUJDIMLKNIX-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305881;MM305881;C=C(C)C(N)C=CCCO;PPMYCESYCYHKPO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305882;MM305882;CCCC(CC)NC(C)=O;YIVGKPIGQNMSKE-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305883;MM305883;C=C(C)C(N)C=CCCF;NDPCYMYSNJOCOR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305884;MM305884;CC#CC(CCN)C(C)N;WOJUMQDEKNOBJD-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305885;MM305885;N=C(N)C(N)C=CCCF;BLQQIOFYVPFIJP-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305886;MM305886;CC#CC(CCO)C(C)N;IAYURSPZKYWIDS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305887;MM305887;CC=NN(C)CC(N)=O;ZGMPZJNMQOVOHZ-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305888;MM305888;CC#CC(CCN)C(C)O;LFRAFKXWZSXSSJ-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305889;MM305889;CCOC(N)=CC(N)=O;ZPRNUAFXKGXXDA-UHFFFAOYSA-N;130.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305890;MM305890;CC#CC(CNC)C(C)N;SARRWYOSBGJYCT-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305891;MM305891;CC(=O)C(O)C=CCCO;LUVGWQYKVNXDFF-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305892;MM305892;CC#CC(NCC)C(C)C;JQJGJVHKYJQWCI-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305893;MM305893;CC(=O)C(O)C=CCCF;PMASTGXWILWAHI-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305894;MM305894;CC#CC(CCN)N(C)C;VBQGCGNIWYXICN-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305895;MM305895;CCCC=CC(O)C(=N)N;DUPPGEQAGIEHCA-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305896;MM305896;CC#CC(CNC)N(C)C;OMMYYDCANUGWDQ-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305897;MM305897;N=C(N)C(O)C=CCCF;AHBIISBXEXMHOB-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305898;MM305898;C=NNC(C#CC)C(C)C;GKSZNHAODJTSQG-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305899;MM305899;CCCC=CC(O)C(N)=O;YJJGFHOOPQQLIU-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305900;MM305900;C=NNC(C#CC)C(C)N;RQZPIZBPZTVWCP-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305901;MM305901;NC(=O)C(O)C=CCCF;FHTFFKRJDHWUHY-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305902;MM305902;CC#CC(OC=O)C(C)N;LJXUCNWUMPMXMW-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305903;MM305903;N=c1[nH]ncc(=O)n1C=O;VJSHIOWOEVIUTN-UHFFFAOYSA-N;140.1;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305904;MM305904;C=NOC(C#CC)C(C)N;RHUXXESXYZIRMU-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305905;MM305905;C=C(C)C(F)C=CCCN;SQGZIMMPYXOXHJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305906;MM305906;CC#CC(CNC)C(C)=O;KCYIQWBGJUSGSD-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305907;MM305907;CCCC=CC(F)C(C)=O;GXXSNDCTWZNXOT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305908;MM305908;CC#CC(COC)C(=N)N;ONIZQPXOAMMIGE-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305909;MM305909;CC(=O)C(F)C=CCCF;STKADKXZPJKOGQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305910;MM305910;CC#CC(COC)C(N)=O;IDWLWPQBBUZCTM-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305911;MM305911;N=C(N)C(F)C=CCCN;NAHUSLMTUIXALY-UHFFFAOYSA-N;145.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305912;MM305912;CC#CC(NCC)C(=N)N;UDILWVPUZRUJKD-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305913;MM305913;C=C(C)C(C)C=CCNC;PVTBMIRFNOIJSW-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305914;MM305914;CC#CC(OCC)C(=N)N;VBFIKPLGRKISAP-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305915;MM305915;CNCC=CC(C)C(C)=O;PCSUKUOVBRITBH-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305916;MM305916;C=CCC(C#CC)C(=C)C;DWPOIHVBOSNECW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305917;MM305917;CNCC=CC(C)C(N)=O;RRTNSKVVMMJOQE-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305918;MM305918;C=CCC(C#CC)C(=N)N;QXTYWAJGDOHUMJ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305919;MM305919;CNCC=CC(O)C(N)=O;ZMROXIVOTQSBLP-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305920;MM305920;C=C(F)C(O)C=CCNC;RFUCSIYHRUNBLD-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305921;MM305921;CC#CC(CC=O)C(=N)N;YFJAYUJTUBDFOQ-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305922;MM305922;C=C(C)C(F)C=CCNC;BRRYULTULBNUIP-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305923;MM305923;CC#CC(CC=O)C(N)=O;FOGUETUJXIBTTD-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305924;MM305924;COCC=CC(C)C(C)=O;BOGSZQWUOSFKOZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305925;MM305925;CC#CC(NC=O)C(=N)N;DDHFBWIBRWQROC-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305926;MM305926;COCC=CC(O)C(C)=O;ZHSVEMRZTIJQER-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305927;MM305927;C=C(F)C(C#CC)NC=O;TZSVZCZPHLZOOD-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305928;MM305928;C=CCCCC(=O)NCC;SOSBUAWVKJUUKT-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305929;MM305929;C=C(F)C(O)C=CCOC;MHALCHKHMWGCDR-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305930;MM305930;C=COC(C#CC)C(N)=O;JYHIGPPQWLJKQW-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305931;MM305931;COCC=CC(F)C(C)=O;PBNLKISVTUDGTE-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305932;MM305932;CNn1nnc(O)c1C;HSGMHLDURSGNKW-UHFFFAOYSA-N;128.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305933;MM305933;CCOC=CC(C)C(C)=O;VJPICHWYMBKSGT-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305934;MM305934;COCC(=O)N(N)C=CF;CXNQWINGUFICIS-UHFFFAOYSA-N;148.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305935;MM305935;CCOC=CC(C)C(=N)N;USWIXJQLGVEWLK-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305936;MM305936;CC=CC(C=CC)C(C)N;IPSKIQPXASIPIB-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305937;MM305937;CCOC=CC(C)C(N)=O;UJEKLIZLLPYDNS-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305938;MM305938;CC=CC(C=CF)C(C)N;NZXHNBWTNSFBEU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305939;MM305939;CCOC=CC(O)C(=N)N;PBWPPZQPBFFYBJ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305940;MM305940;CC(N)C(C=CF)C=CF;LZGIKIPBIATKTG-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305941;MM305941;CCOC=CC(O)C(N)=O;KEICGXSHDDGTIO-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305942;MM305942;CC=CC(C=CF)C(C)O;UAQYYNJXVFQQCO-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305943;MM305943;COC(C#N)(C=O)C=NO;NFYMGJXAQLHLSS-UHFFFAOYSA-N;142.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305944;MM305944;CC(F)C(C=CF)C=CF;JSFMKIMRILRETP-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305945;MM305945;CCOC=CC(F)C(N)=O;ZVWLNJDOHGMACZ-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305946;MM305946;CC=CC(C=CF)C(F)F;INWGSMACIFJNLU-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305947;MM305947;C=C(C)C(C)C=NNCC;UNUWSLOHPCLKFN-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305948;MM305948;FC=CC(C=CF)C(F)F;STKWNBFIFREFBB-UHFFFAOYSA-N;154.11;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305949;MM305949;CCNN=CC(N)C(=N)N;XLXWTUJYWUJKMJ-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305950;MM305950;CC(C)C(C=CF)C=NN;ZEJRPEVYOWOBHP-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305951;MM305951;C=CC1(C)NC1C(N)=O;LUBWIPQHHOFIHW-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305952;MM305952;CC=CC(C=NO)C(C)N;CZCAXPUGGINONA-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305953;MM305953;CCNN=CC(O)C(=N)N;AWARVAARIGXZTL-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305954;MM305954;CC(C)C(C=NN)C=NN;ZPJKNLYDORQJSS-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305955;MM305955;NN=CC(C=NN)C(F)F;FHIFPWFOXPIVON-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305956;MM305956;C=COC(=O)CC=NN;UEJAYKUZLJDPJC-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305957;MM305957;CN=CN(C=NC)C(C)C;UXDUWAFMRAJCFU-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305958;MM305958;CCON=CC(C)C(=N)N;PLNMIUKIMSTRIQ-UHFFFAOYSA-N;143.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305959;MM305959;C#CC(CC)C(=C)C(N)=O;PORPGFSHWJIRJR-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305960;MM305960;CCON=CC(N)C(=N)N;LFIHUNIRYIZPFU-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305961;MM305961;CC=CC(C=CC)C(=N)N;JAPDFSLLKRQAAI-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305962;MM305962;CC(C=NN)CNC=O;MWMCXJXMCRCKEH-UHFFFAOYSA-N;129.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305963;MM305963;CC=CC(C=CF)C(=N)N;AWICNSMULSNVRM-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305964;MM305964;CCON=CC(O)C(=N)N;QKAYKJNTHPSZEO-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305965;MM305965;N=C(N)C(C=CF)C=CF;LNRIKEJWIRWOKN-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305966;MM305966;CCON=CC(O)C(N)=O;TVJOLDZCAQXPJQ-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305967;MM305967;CC(CCCCF)C(N)=O;AYHQSWSJAICSIG-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305968;MM305968;Nc1cc(=NO)c(=O)[nH]o1;ZEPCCXVSTXLNSS-UHFFFAOYSA-N;143.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305969;MM305969;CC=CC(C=CF)C(N)=O;WVJHSVIAYAAULS-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305970;MM305970;C=C(F)C(O)C=NOCC;RZCVBJMZOWCTEG-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305971;MM305971;NC(=O)C(C=CF)C=CF;KFFBWWOBWZPREL-UHFFFAOYSA-N;147.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305972;MM305972;C=C(C(N)=O)C(C)CF;CDRYJNLNOAAVRC-UHFFFAOYSA-N;131.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305973;MM305973;C=C(C)C(C=CC)C=NN;CXBMRLPMKWCPKM-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305974;MM305974;CCCC=CN(C)C(C)=N;HGQORUIWIPXECR-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305975;MM305975;O=C(O)C=CC(O)C=NO;OOEIMSFRAIZLAX-UHFFFAOYSA-N;145.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305976;MM305976;CC(=N)N(C)C=CCCO;BZNRGXGWXNQWLH-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305977;MM305977;CC=CN(C=CF)C(C)=N;FWVGKVHCXRDDLX-UHFFFAOYSA-N;142.18;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305978;MM305978;CC(=N)N(C)C=CCCF;LJHSRMNZBLUUIH-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305979;MM305979;CC=CN(C=CC)C(C)=O;UPKJZPAHQSMSFQ-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305980;MM305980;CCCC=CN(C)C(C)=O;HNJGVNVVOZDWOA-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305981;MM305981;CN=CN(C=CF)C(C)=O;AUDVREIVGBEWGG-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305982;MM305982;CC(=O)N(C)C=CCCN;YDHPUIITUZHULV-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305983;MM305983;N=C(N)N(C=CF)C=NO;YPBZDDOWROJAQZ-UHFFFAOYSA-N;146.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305984;MM305984;CN(C=CCCO)C(N)=O;IDKWSKKCOFSNQQ-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305985;MM305985;CC(CCF)C(C)C(N)=O;YQWUGALBAMNFAM-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305986;MM305986;CCCC=CN(N)C(C)=O;ZSABIKIPXYWADM-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305987;MM305987;CCCC(CCF)C(N)=O;JSYDXBICBPTHSD-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305988;MM305988;CNC(=O)C1(C)CC1C;PIFGBNNRVJJNNX-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305989;MM305989;CC(C)C1CC(NC=O)C1;CXGOQFDFCDTCGW-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305990;MM305990;C=NOC(C=O)CC#N;QZSMIJULXOYQFC-UHFFFAOYSA-N;126.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305991;MM305991;C=C(C)N(C=NO)C=NO;FDTFYJALKUNMES-UHFFFAOYSA-N;143.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305992;MM305992;CCCC1CC(NC=O)C1;DGWNVXNONKIQOB-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305993;MM305993;CC(=N)N(O)C=CCCF;NAAJWFBSXQSDRY-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305994;MM305994;NC(=O)CCC1(CO)CC1;OQLNMFQGPWXGCB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305995;MM305995;CCCC=CN(O)C(C)=O;WBDRTWWMJCCBJA-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305996;MM305996;CC(=N)N(C=NO)C=NO;RQDQNXULYBRNBR-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305997;MM305997;CCCC=CN(O)C(=N)N;GHTISPSTZMYOPS-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305998;MM305998;CN=CN(C=NC)C(=N)N;PDVNHYLGRZGIGW-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM305999;MM305999;N=C(N)N(O)C=CCCN;NUHNOYDOUXALSE-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306000;MM306000;NN=CN(C=NN)C(N)=O;WKJLYUYXVNVTPT-UHFFFAOYSA-N;144.14;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306001;MM306001;NCCC=CN(O)C(N)=O;BTFYRAFGPZJGPF-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306002;MM306002;NN=CN(C=NO)C(N)=O;UDPDRJZNOFQLKG-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306003;MM306003;CNCC=CN(C)C(C)=O;YYRZLHGCPHRWQT-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306004;MM306004;NC(=O)N(C=NO)C=NO;SEPRTVHVSQWOTJ-UHFFFAOYSA-N;146.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306005;MM306005;CNCC=CN(N)C(N)=O;YHYAFZGIDIFLHE-UHFFFAOYSA-N;144.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306006;MM306006;CC=NN(C=NC)C(=N)N;HMCZRFKLTZOJSS-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306007;MM306007;CNCC=CN(O)C(C)=N;PPODGQLMEZUUOX-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306008;MM306008;CC=NN(C=NN)C(=N)N;NCPZUBIJFDEIBU-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306009;MM306009;CNCC=CN(O)C(=N)N;CJPBPZLLFNGFJX-UHFFFAOYSA-N;144.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306010;MM306010;COC1(CCC(N)=O)CC1;VHBLCWBYULASHQ-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306011;MM306011;CNCC=CN(O)C(N)=O;POCXINNPPAEXRU-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306012;MM306012;CC#CC(C=CC)C(C)N;LKRCLEZFQSZNKE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306013;MM306013;COCC=CN(C)C(N)=O;YLLNIDMICYMXNA-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306014;MM306014;CC#CC(C=CC)C(=N)N;PMVNXKZYJWVYET-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306015;MM306015;COCC=CN(N)C(C)=N;BPHJMSOOCGEUNW-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306016;MM306016;CC#CC(C=CF)C(N)=O;OLIXCRPACZTIDQ-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306017;MM306017;COCC=CN(N)C(C)=O;DXTPKMXVTLFJME-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306018;MM306018;CC(C)C(=CCN)CCN;STKNCAFXKGOXJJ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306019;MM306019;COCC=CN(N)C(=N)N;JKXRLCXLGVHZCO-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306020;MM306020;CC(N)C(=CCO)CCN;ZNTHIXINBOPXCF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306021;MM306021;COCC=CN(O)C(C)=O;XNXDVCSULAEFBT-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306022;MM306022;CC(N)C(=CCN)CCF;HLSHJYBQPCZDMN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306023;MM306023;CCOC=CN(C)C(C)=O;YEWBVLUKPNROHN-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306024;MM306024;CCCC(=CCO)C(C)O;ZFNRYZFVSBTTEV-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306025;MM306025;CCOC=CN(N)C(=N)N;HGDBXYCMGBFFCY-UHFFFAOYSA-N;144.18;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306026;MM306026;CCC=C(CCN)C(C)F;PDPVTGSVWVLRCF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306027;MM306027;CC=C(CCF)C(N)=O;ZQEGHCFOCXMJJW-UHFFFAOYSA-N;131.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306028;MM306028;CC(F)C(=CCN)CCN;AOQXVSQXSOOSIV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306029;MM306029;CCCN=CN(C)C(C)=N;AUGQMLOCJQWUHZ-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306030;MM306030;CC(F)C(=CCN)CCO;ZNUGQZOYPLDUHL-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306031;MM306031;CC(=N)N(C)C=NCCN;TVZKUQUTVOKZHE-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306032;MM306032;CC(F)C(=CCN)CCF;HJXWGUFNDSVGPX-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306033;MM306033;CC(=N)N(C)C=NCCO;SNWMMWKDIRHSIZ-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306034;MM306034;CNCC(=CCN)C(C)C;IDTUBMTZQWYBRR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306035;MM306035;CN(C=NCCO)C(=N)N;ARZPACBPGARMOL-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306036;MM306036;CNCC(=CCO)C(C)N;UWTYJHKBNNVWPL-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306037;MM306037;CCNC(=O)CC1CC1;BBGSPFCPOUBEDE-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306038;MM306038;CNCC(=CCF)C(C)F;USTUDJUDLNGSAB-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306039;MM306039;C=CN1C=NC(=N)C1C;CFISKJIYCZPLLK-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306040;MM306040;CNCC(=CCN)C(F)F;XNASEBLEGPHTNV-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306041;MM306041;C=C(C)N(N)C=NCCC;HVSMXXVXDWFEOC-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306042;MM306042;CCCC(=NNC)C(C)C;NNKIUFNHNPWGAL-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306043;MM306043;CC(=N)N(N)C=NCCO;ZOZMQYSBCPYCFV-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306044;MM306044;CNN=C(CCN)C(C)C;UWAFTUNRNWJTSW-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306045;MM306045;CC(=N)N(N)C=NCCF;GQSLFBAGRMAPSM-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306046;MM306046;CCC1(CCC(N)=O)CO1;DOOQOVYCHFTMAG-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306047;MM306047;N=C(N)N(N)C=NCCF;VFRGFHSQSNQCEH-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306048;MM306048;O=CCON=CC(F)=CF;HZDDPVALLKTXOA-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306049;MM306049;CCN1C=NC(=NC)C1;IKMRPFHARHWFHM-UHFFFAOYSA-N;125.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306050;MM306050;CNN=C(CCN)C(C)F;DKAUVYRNUAIWPO-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306051;MM306051;CCC(C)(F)CCNC=O;OXQKVDNVDXCVQT-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306052;MM306052;CON=C(CCN)C(C)C;XMPYUOIZGCOZPG-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306053;MM306053;N=C(N)N(O)C=NCCO;HXNYZBFILQENJD-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306054;MM306054;CON=C(CCF)C(C)C;DZEOXVPUNXXQRW-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306055;MM306055;CCCC(=NOC)C(C)N;RFNSIBPCXDOPDO-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306056;MM306056;NCCN=CN(O)C(N)=O;NPMVEIQRAPNSRA-UHFFFAOYSA-N;146.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306057;MM306057;NC(=O)N(O)C=NCCO;ZMOAVTUIFCNMRK-UHFFFAOYSA-N;147.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306058;MM306058;CNCC(=NOC)C(C)C;FZURHQKNNBSPGO-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306059;MM306059;NC(=O)N(O)C=NCCF;VTSXSOLVFQXQOS-UHFFFAOYSA-N;149.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306060;MM306060;C#CC(ON=C)C(=C)C#N;QSBZZAMEICMOLU-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306061;MM306061;CCNN=CN(C)C(C)=N;XVBLJGJKPGVFPP-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306062;MM306062;COCC(=NOC)C(C)F;FLHFCIBMANLVFF-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306063;MM306063;CCNN=CN(C)C(=N)N;LNZYAAWZSHEZHK-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306064;MM306064;CCN=C(NNC)C(C)O;IAAPGXNVAPHXPX-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306065;MM306065;CCNN=CN(N)C(C)=N;BYTHCPVFIPDGNQ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306066;MM306066;CCN=C(NOC)C(C)N;BWARQJYGVBKBIJ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306067;MM306067;CCNN=CN(N)C(=N)N;CDJTWZCSIJAQDS-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306068;MM306068;CCC(CCCF)C(N)=O;UZWGXFANGMQYEV-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306069;MM306069;CCNN=CN(O)C(=N)N;NSOXVKORFJQHCN-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306070;MM306070;C=CC1(CNC=O)CC1C;OQTFTYPLXOPPDA-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306071;MM306071;C=C(C)N(C)C=NOCC;UKCYGEALVNLVTE-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306072;MM306072;CON=C(NOC)C(C)N;ASFDPDFGRFRZHN-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306073;MM306073;C=C(C)N(N)C=NOCC;CARNLKHRLCZSOS-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306074;MM306074;CCN=C1CN=C(CF)N1;UEOVSKOGQSGRPX-UHFFFAOYSA-N;143.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306075;MM306075;C=C(F)C(C)C(C)C(N)=O;WVYDUTXXHVWBAU-UHFFFAOYSA-N;145.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306076;MM306076;CON=C(NOC)C(F)F;ANNULXCRJIWBNI-UHFFFAOYSA-N;154.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306077;MM306077;CC(F)=CCC(C)C(N)=O;WXHDEOKNQZQFAF-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306078;MM306078;CCOC(=COC)C(C)N;KGQLKQAJLIUQQX-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306079;MM306079;CCCC=NN(C)C(C)=O;WJANEZZUDQUEBA-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306080;MM306080;CCOC(=COC)C(C)O;SECHAMGMZXCLDM-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306081;MM306081;CN(N=CCCN)C(=N)N;BNQCRMZREOKOLP-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306082;MM306082;CCN=C1CN=C(C#N)N1;KONNFZHPBSLHBT-UHFFFAOYSA-N;136.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306083;MM306083;CN(N=CCCO)C(=N)N;RRLYCRLVAQBSMH-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306084;MM306084;C=Cc1c[nH]c(NC)c1F;GXUZABLJQABFFE-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306085;MM306085;CN(N=CCCF)C(=N)N;FTISYDYQLNWBQW-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306086;MM306086;CCOC(=NOC)C(C)O;CKMTTZDARJEXIJ-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306087;MM306087;CON=CC1NC1CC=O;WRPUWONCYUNPGX-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306088;MM306088;C#CC(=CC(N)=O)C(=C)C;MUFHIJCZYCKQLR-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306089;MM306089;CCN=C(CCO)N(C)N;DRDPTCZNOKIWCG-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306090;MM306090;CN(N=CCCN)C(N)=O;UYMLLFROIKXEEI-UHFFFAOYSA-N;144.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306091;MM306091;CCN=C(CCN)N(C)O;QZFZWYYKKJSOQN-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306092;MM306092;NC(=O)C=CCCC=CF;MQJMFSCUFAZVKQ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306093;MM306093;CNN=C(CCO)N(C)C;GDXQFRAEDLCJGB-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306094;MM306094;CCCC(F)CCNC=O;JPJRXHJGPTUXTC-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306095;MM306095;CNN=C(CCF)N(C)C;QOZVVLUDBBZRCP-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306096;MM306096;CNCC=NN(C)C(=N)N;QSJMCXXELPOOIX-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306097;MM306097;CCCC(=O)NCC;DHCJWWQFOMHARO-UHFFFAOYSA-N;115.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306098;MM306098;CNCC=NN(C)C(N)=O;QKYVYGTYQSXFDC-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306099;MM306099;C=CCCC(=O)NC;WMSBZEVWAHDCGZ-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306100;MM306100;COCC=NN(C)C(=N)N;QWKSACMGCWOCGM-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306101;MM306101;C=NN1CC1CC=O;WZJULMQLUGRVQI-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306102;MM306102;COCC(=O)N(N)C=NN;CYUWQSOEWUOQIZ-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306103;MM306103;CNC(=O)C(C)=C(C)C;DYIHMIWIIRRKSD-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306104;MM306104;C=CCC=CC(C)C(=C)C;KQVTZZQTUMGPBF-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306105;MM306105;CCN=C(CNC)N(C)N;CSKIIYUZIBGDGT-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306106;MM306106;C=C(C)C(C)C=CCC=O;NNZVQKVNCVEHKO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306107;MM306107;CNCC(=NNC)N(C)C;DVOGZGFBUIQCQB-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306108;MM306108;C=C(C)C(C)C=CCC#N;UDUHVCSICUGCCC-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306109;MM306109;C=CC(C)=CCNC=O;JXHGUHYFLQYGDQ-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306110;MM306110;C=CCC=CC(C)C(=N)N;WDCNKPVZDLGMGV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306111;MM306111;CCN=C(NCC)N(C)O;LQPHOSYDBJZAMB-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306112;MM306112;CC(C=CCC=O)C(=N)N;QGQCVHAXCJGNIO-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306113;MM306113;CCNC(=NNC)N(C)C;QMANTZKUTCIZJT-UHFFFAOYSA-N;144.22;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306114;MM306114;CC(C=CCC#N)C(=N)N;JWSOBXOCEBGLJX-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306115;MM306115;CCNC(=NNC)N(C)O;ZDKFYOOTHVTMFG-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306116;MM306116;CCN=C(NNC)N(C)N;CHIXFAUUUMVUEC-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306117;MM306117;CCN=C(NNC)N(C)O;ZDKFYOOTHVTMFG-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306118;MM306118;CNN=C(NNC)N(C)N;FBTREAMMADDELJ-UHFFFAOYSA-N;146.2;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306119;MM306119;CCN=C(NOC)N(C)C;XELFRLRFQUCCTK-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306120;MM306120;CNN=C(NOC)N(C)N;UIJZREJBFXXGII-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306121;MM306121;CCN=C(OCC)N(C)C;CRTGJQWTGCXPSI-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306122;MM306122;CCOC(=NOC)N(C)C;QQZAMKCVEXEPCR-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306123;MM306123;CCOC(=NOC)N(C)N;GENXPCNSOICBOI-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306124;MM306124;C=CC(C)=NOCC=O;WTHAQCSNMQTJCJ-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306125;MM306125;C=CC=C(CCO)C(C)N;OMNMSPICRGPBNY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306126;MM306126;C=CC=C(CCN)C(C)F;MQBUIYWVSYMMHM-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306127;MM306127;CNCC(=CC#N)C(C)C;CXEZHKUWMDCSLU-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306128;MM306128;C=CC=C(CNC)C(C)O;LQUNADHIVAZHDG-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306129;MM306129;C=CC=C(CNC)C(C)F;ZNLHXJXGGBQPGF-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306130;MM306130;COCC(=CC#N)C(C)C;XKFQQTLKQMWVNS-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306131;MM306131;C=NN=C(CCN)C(C)N;BZLJZPWOQSBBSV-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306132;MM306132;C=NN=C(CCN)C(C)O;YKPTXZSGQQIDRP-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306133;MM306133;CCN=C(NC=N)C(C)C;NECCDMBOGFLDLM-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306134;MM306134;CCN=C(NC=N)C(C)N;KEBCDKSCVAVHGF-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306135;MM306135;CCN=C(NC=N)C(C)O;SUBUJMVRUGNVBN-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306136;MM306136;CNN=C(NC=O)C(C)F;XNWRRNBJWKMZMY-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306137;MM306137;CC1(CF)NC1CC=O;RYOXYRDYOYQAEO-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306138;MM306138;CCOC(=CC#N)C(C)O;XYTQAYIHMWWKEW-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306139;MM306139;C=NN=C(OCC)C(C)O;JNFRXPWQJLXPAR-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306140;MM306140;CN(C)C(CCN)=NC=N;IJLGTZGJYSWTEN-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306141;MM306141;CN(C)C(CCO)=NC=N;IYZHDKYXRKQBPS-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306142;MM306142;C=CC1N=CN(N)C1=N;RKSKYNPTPLJDSR-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306143;MM306143;CN(N)C(CCF)=NC=O;WRKJUSMZZHZIQY-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306144;MM306144;COCC(=NC=O)N(C)N;DPDFDBSAJJOMIX-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306145;MM306145;CC=NN1CC1CC=O;ICNWUFKXEUVENK-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306146;MM306146;COCC(=NC=O)N(C)O;GUTXMRNTHBKKMF-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306147;MM306147;CCNC(=CC=O)N(C)C;YPKXVDFMARJIOF-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306148;MM306148;CCNC(=NC=O)N(C)C;FVSQYXPXUZPOSW-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306149;MM306149;CCNC(=NC=N)N(C)O;IYGULVWPTSPYRY-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306150;MM306150;CNNC(=NC=N)N(C)C;VCVCCAHGXWQPKO-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306151;MM306151;CNNC(=NC=N)N(C)N;PYUYVSZLOPJILT-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306152;MM306152;CNNC(=NC=N)N(C)O;XAWXRAVPXQEQOT-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306153;MM306153;CONC(=NC=O)N(C)O;YQDJHLCQFHVJQX-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306154;MM306154;CCOC(=NC=N)N(C)N;NOJWGYYSFLIBLW-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306155;MM306155;CCOC(=NC=O)N(C)N;KKMPFDMTEFDWDD-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306156;MM306156;C=NN=C(OCC)N(C)C;XJLRXSCICIBEBW-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306157;MM306157;C=NN=C(OCC)N(C)N;AULKMTGVTNBQJY-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306158;MM306158;C=NN=C(OCC)N(C)O;HGVNLIOGTLOYJU-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306159;MM306159;C#CC=C(CCN)C(C)N;DMWGFGUVLGFDBV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306160;MM306160;C#CC=C(CCO)C(C)N;XZFDQQHBYSCPQO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306161;MM306161;C#CC=C(CCN)C(C)O;AREDXXCNCWGKPB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306162;MM306162;C#CC=C(OCC)C(C)O;BJHYNFOIIYKFQR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306163;MM306163;C=CCC(=CCO)C(C)N;KBCZEXAOFLVMSY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306164;MM306164;CCC=C(CC=O)C(C)O;STOPPEHUYUCREJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306165;MM306165;C=CCC(=CCN)C(C)F;DZJXLTHPIQNCJF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306166;MM306166;CC(F)C(=CCF)CC=O;IPBMJFMHEACQFL-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306167;MM306167;COC=C(CC=O)C(C)O;CLZJAZUVDWGJAH-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306168;MM306168;CC=C(CC)C(=O)NC;VJDGRXYTYSKJHU-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306169;MM306169;C=CCC(=NNC)C(C)F;PKSLAGAQMWJRQD-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306170;MM306170;CC(C)(CC=O)CC(N)=O;IGVPEFDEQPBDTQ-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306171;MM306171;CC(=O)NC(C)CC(C)C;XSJOXQGYDROIIA-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306172;MM306172;C=CC(=O)NCC(C)(C)C;VDFVKDXMMMUNBZ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306173;MM306173;C=CC(C)(C)CNC(C)=O;IYUFDYJAHVAJPA-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306174;MM306174;CC(C)=NNC=CC(N)=O;HPTNENWFXOZZAJ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306175;MM306175;CC(C)C(=CCN)NC=O;IGOSFAUHHVTKJD-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306176;MM306176;CC(O)C(=CCN)NC=N;QVQDXJYFCAKLDI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306177;MM306177;CC(O)C(=CCO)NC=N;GYVWMGROQYZXOK-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306178;MM306178;CC(O)C(=CCF)NC=N;MCMZWGNJWBQWSV-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306179;MM306179;CC(F)C(=CCN)NC=N;RENSPNILDCGYJS-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306180;MM306180;COC=C(NC=O)C(C)C;MXHMRYKHOILISN-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306181;MM306181;COC=C(NC=N)C(C)F;ABCDRLPYXZJSRD-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306182;MM306182;COC=C(NC=O)C(F)F;DLYBVUZULSMFKN-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306183;MM306183;CC(CCC=O)CC(N)=O;OSOGUYFNYNSYQI-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306184;MM306184;CC(C)C(=CCN)OC=O;UMVMFYDPHNPRMX-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306185;MM306185;C=COC(=CCN)C(C)N;HFKOYLYAGZIZGK-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306186;MM306186;NCC=C(OC=O)C(F)F;WDXUUGOMCOMYFW-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306187;MM306187;C=COC(=COC)C(C)N;SELCPJGGJBLRSW-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306188;MM306188;COC=C(OC=O)C(C)N;OCJAWNZZUHCELA-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306189;MM306189;C=COC(=COC)C(C)O;NCUITCWCGZAOMP-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306190;MM306190;C=COC(=COC)C(F)F;WHBUZGKLHXGQKE-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306191;MM306191;CNN=C(OC=O)C(C)O;GZALGBSMVNPFLP-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306192;MM306192;CC(C)CNC(=O)C(C)C;MYLSYPDLABZVDQ-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306193;MM306193;CNN=C(OC=O)C(F)F;STXPUAJPNDQVQP-UHFFFAOYSA-N;152.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306194;MM306194;CCNC(=O)C=C(C)CC;CGOCJKHXUOAHLT-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306195;MM306195;CCC=NNC=CC(N)=O;UFAOFXGMMQOEIL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306196;MM306196;C=NOC(=NOC)C(C)F;KOANPPHFXADMNO-UHFFFAOYSA-N;148.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306197;MM306197;CC=CC(=O)NCCCC;CZTNQUZELARNDX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306198;MM306198;CCN=C(CC=O)N(C)C;WINVJEDHXFWIEF-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306199;MM306199;COCC(C)=NOCC=O;DAIKTJBOQONQCF-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306200;MM306200;CC(=CCC=NN)C(N)=O;DNSXMVARRMFDJL-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306201;MM306201;CCN=C(NC=O)N(C)C;FVSQYXPXUZPOSW-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306202;MM306202;CCN=C(NC=N)N(C)O;IYGULVWPTSPYRY-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306203;MM306203;CNN=C(NC=N)N(C)C;VCVCCAHGXWQPKO-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306204;MM306204;C=CNC(=NNC)N(C)N;HVVDMXCEHBVGJB-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306205;MM306205;C=CNC(=NNC)N(C)O;MIXXOLIOGAYDJN-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306206;MM306206;CC#CCC=C(C)C(N)=O;VDGPNYWLMKKMNE-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306207;MM306207;CON=C(NC=N)N(C)N;ZPAOVUKOCVYKPI-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306208;MM306208;C=NOC(=NCC)N(C)C;FSTFLLVCDQJOQA-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306209;MM306209;C=NOC(=NCC)N(C)N;QWEXTOUJNZCRMS-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306210;MM306210;C=C(C)C(NC=O)C(C)C;QDFWIASWLFXGPD-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306211;MM306211;C=CC=C(CC=O)C(C)C;WTEHBPPICXFBRP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306212;MM306212;C=CC=C(CC=O)C(C)O;QBCFOPQMDJPAOY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306213;MM306213;CC(O)C(=CC#N)CC#N;SFEQSWXXZXAFIN-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306214;MM306214;C=CCC(=CC=O)C(C)F;FMEFDSDIUDAXNC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306215;MM306215;C=CC=C(CC=O)C(C)F;FYXCFCVMFSUEOZ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306216;MM306216;C=CCC(=NN=C)C(C)C;JQMVWBRPJKYZKJ-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306217;MM306217;C=CC=C(NC=O)C(C)N;SABVQPPXVXQYJW-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306218;MM306218;C=CC=C(NC=N)C(C)O;QBMTVLZRWZNJSF-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306219;MM306219;CC(O)C(=CC=O)N=CN;AUZFJBPHPBKQJX-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306220;MM306220;C=CC=C(NC=O)C(C)O;FHYXWTJOLHVAHY-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306221;MM306221;CC(O)C(=CC#N)NC=O;XJPAPIIFRCVIEC-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306222;MM306222;CC(F)C(=CC=O)N=CN;ORMLHINWDZJYOQ-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306223;MM306223;CC(F)C(=CC=O)NC=O;XIRGAQHGHWVCMF-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306224;MM306224;C=CN=C(NC=N)C(C)C;XJSZXLACBUJYJR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306225;MM306225;CC(C)C(=NC=O)NC=O;MGGVEVVFWGZPLR-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306226;MM306226;C=CN=C(NC=N)C(C)N;IKMBPYIFCJMACL-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306227;MM306227;C=CN=C(NC=N)C(C)O;HSGUIGSLEDFHGK-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306228;MM306228;CC(O)C(=NC=N)NC=O;PJGUWRWVOPJCDO-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306229;MM306229;CC(F)C(=NC=N)NC=O;YQEOQQOSFKTEPU-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306230;MM306230;CC(F)C(=NC=O)NC=O;NYMDXXGAMIRMKN-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306231;MM306231;C=CN=C(NC=O)C(F)F;PFFJWIISCPSKRE-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306232;MM306232;C=CC(=CCC(N)=O)CO;KTEZTGXXWNVXPN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306233;MM306233;C=CN(N)C(=O)C1NC1C;GIYKFGHPOPSYMK-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306234;MM306234;C=CC=C(OC=O)C(C)N;MKVXEDPJSXZMSK-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306235;MM306235;C=COC(=CC#N)C(C)O;BZSVYBBMHXSQBX-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306236;MM306236;CC(O)C(=CC=O)OC=O;CMVGQSFRLDIKFZ-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306237;MM306237;C=COC(=NN=C)C(C)O;JTZWZVUKHVJVKH-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306238;MM306238;C=COC(=NN=C)C(F)F;VTXZORVZLDHGJW-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306239;MM306239;CN(C)C(=CC#N)CC#N;KWFNYVQGUPTGDF-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306240;MM306240;C=NN=C(CC#N)N(C)C;PVJPNGYNDPNLBF-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306241;MM306241;C=CNC(=NC=N)N(C)C;JRUQFYHPHRTFIT-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306242;MM306242;CN(C)C(=NC=N)NC=N;ASYOPAXEPGTSFV-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306243;MM306243;CN(C)C(=NC=O)NC=N;IQFMNMNCSLPIIZ-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306244;MM306244;C=CNC(=NC=N)N(C)N;MOVOWAVBWKNEFS-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306245;MM306245;C=CNC(=NC=O)N(C)N;ODSSLGPTLSTEIV-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306246;MM306246;C=NN=C(NC=N)N(C)C;GISRPIIXWANYFQ-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306247;MM306247;C=NNC(=NC=O)N(C)O;XBBJNSFBUMOZLO-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306248;MM306248;C=COC(=CC#N)N(C)C;BDEDOPIXDCRCIB-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306249;MM306249;CN(N)C(=NC=N)OC=O;ASELBSZMHWISRC-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306250;MM306250;CN(N)C(=NC=O)OC=O;HFOSBAJXUKVWJB-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306251;MM306251;C#CC12CC(=O)C(=O)C1N2;DAXVUFYYVGOGFQ-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306252;MM306252;C#CC=C(CC#N)C(C)O;VMIXCQVAOAPKTN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306253;MM306253;C#CC=C(NC=N)C(C)N;MOWQWGHBJAUZIK-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306254;MM306254;C#CC=C(NC=O)C(C)N;FUCTYCWUOVTSIT-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306255;MM306255;C#CC=C(NC=N)C(C)F;YOUVEFHPMWFICF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306256;MM306256;C#CC=C(NC=O)C(F)F;ADMVCSWMMAILFR-UHFFFAOYSA-N;145.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306257;MM306257;C#CC=C(OC=O)C(C)O;VCWWQOUVBIVVNR-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306258;MM306258;C#CCC(=CCO)C(C)C;BWSGXGSJNFESTL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306259;MM306259;C#CCC(=CCN)C(C)N;ZCGBOYXKMOSLKK-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306260;MM306260;C#CCC(C)=CC(N)=O;HMMYILLCJLBQCM-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306261;MM306261;C#CCC(=NN=C)N(C)N;HQESLJWOULANRD-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306262;MM306262;C=C(C)C(=CCN)CCN;RFDWEAUQWAXIFP-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306263;MM306263;C=C(C)C(=CCN)CCO;XYFUDDALUCKTMU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306264;MM306264;CC(=O)C(=CCF)CCO;FLLYVKPHYUZDJA-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306265;MM306265;CC(=O)C(=CCO)CCF;ADVBQVLOJAFDFB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306266;MM306266;CCCC(=CCO)C(=N)N;GWYSXNJQDRJTCS-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306267;MM306267;N=C(N)C(=CCO)CCF;NNORVRBXCMGJOA-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306268;MM306268;CC(F)C=NOCC=O;SXRTYDWSHRGXIV-UHFFFAOYSA-N;133.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306269;MM306269;CCCC(=CCN)C(N)=O;PXVYEPFKKWJZMA-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306270;MM306270;CCC=C(CCN)C(N)=O;KEQKXUSOAYGDCD-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306271;MM306271;C=C(CCCO)C(N)=O;SERIZWCPINYSDI-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306272;MM306272;CCC=C(CCC)C(=O)O;ZKNJEOBYOLUGKJ-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306273;MM306273;CC1CN1C(=N)C(=O)O;MKYHFSVGMXOXQY-UHFFFAOYSA-N;128.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306274;MM306274;CNn1[nH]cc(C#N)c1=O;AZUBFJKXHAGKFY-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306275;MM306275;C=NNCC(F)C(=O)O;VWXDWSDVLVNTFE-UHFFFAOYSA-N;134.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306276;MM306276;C=C(F)C(=CCN)CCN;YPTOFFPFZPUVCW-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306277;MM306277;C=C(F)C(=CCO)CCN;FLCQIRTXPZMPCT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306278;MM306278;C=C(F)C(=CCN)CCF;KECLNMKDABYUDN-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306279;MM306279;CCCC(=CNC)C(=N)N;YQHVUVFFJQEVAY-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306280;MM306280;COC=C(CCO)C(=N)N;VNPUEKYIYFYYLY-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306281;MM306281;C=C(C)C(=CCC)CNC;LJEANDAJXZIEPJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306282;MM306282;C=C(C)C(=CCN)CNC;ZLYXDWMEQQSLAD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306283;MM306283;C=C(C)C(=CCF)CNC;WULUJHLMJPPNAF-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306284;MM306284;CNCC(=CCO)C(C)=O;ZWVWNIHNEKNKTD-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306285;MM306285;CNCC(=COC)C(N)=O;DOQCMLUTYFSYDK-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306286;MM306286;COCC(=CCO)C(C)=O;AWDYNAGEHVJWHN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306287;MM306287;CCC=C(COC)C(=N)N;YPLFEOSQOUFXDW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306288;MM306288;COCC(=CCO)C(=N)N;BSTQFANDDJVDHP-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306289;MM306289;C=NN=CCC(=O)CC;HOQVDNBPXALNAL-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306290;MM306290;CCC(C)=NOCC=O;WMJWHTRXCMORKR-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306291;MM306291;CNN=C(CCN)C(=N)N;SAAZRYHTDGJZJM-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306292;MM306292;C=CCC(C)C(=O)NC;LXEGUKPFOJZHPY-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306293;MM306293;CNN=C(CCN)C(N)=O;DVXHGCBLWLLYCP-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306294;MM306294;CCC=C(C)C(=O)NC;HHDNTKDXOQWLCB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306295;MM306295;CON=C(CCO)C(=N)N;QDSGJQUSDUJEGG-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306296;MM306296;Cc1cc(N=N)[nH]c1C;XEGWEAIYKBDGOU-UHFFFAOYSA-N;123.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306297;MM306297;CN(C=NN)N=CC(=O)O;AOEZSEMJLNRBGF-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306298;MM306298;C=C(C(=O)O)N(O)C=NC;QBLHHKMGFYHANJ-UHFFFAOYSA-N;144.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306299;MM306299;CNCC(=NNC)C(=N)N;UREICTRQUXFODB-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306300;MM306300;C=C(C)C(COC)=NNC;CIEBGQCXSLIIHF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306301;MM306301;Cc1c(N)noc1C#N;NRYWNDHEFNYFSE-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306302;MM306302;N#CC(=CN)CCCO;JMKNFKSLMMNJEN-UHFFFAOYSA-N;126.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306303;MM306303;COCC(=NOC)C(N)=O;WEVPUCQBVHNLLM-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306304;MM306304;C=C(F)C(COC)=NOC;NHCNFWOSZMUYAX-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306305;MM306305;COCC=NOCC=O;RTAMRTODVLIGDT-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306306;MM306306;CCN=C(NOC)C(=N)N;UILSIPZSRAGNQA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306307;MM306307;O=CCON=CC1CO1;SPUYLEJDTZUQSN-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306308;MM306308;CC(=O)C(C)(C)CC(N)=O;UHRZLKMWMADQLB-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306309;MM306309;CNN=C(NNC)C(=N)N;SNNCQEJNTHGQHK-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306310;MM306310;CC(C)(F)C=NOCC=O;JUUUSQOMARQDKN-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306311;MM306311;N=C(CO)N(O)CC(=O)O;OZQSQOOGRQCPHS-UHFFFAOYSA-N;148.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306312;MM306312;C=C(C)C(C)=CC(=O)NC;SEGMUJDLLOOYHT-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306313;MM306313;CC(CC=O)CCC(N)=O;BJCMISWPHDFGRE-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306314;MM306314;CC=CC(C)CNC(C)=O;FRFYDYCZLMUTHW-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306315;MM306315;CCNC(=O)C=CC(C)C;OGTFUTXBTDLEJF-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306316;MM306316;CON=C(NOC)C(=N)N;GHVAZDPRKNMDKG-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306317;MM306317;O=CN(C=O)CCC(=O)O;ITJWUMBYKBLGCP-UHFFFAOYSA-N;145.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306318;MM306318;C=C(COC(C)C)C(N)=O;WFEWEUMIXYWEKB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306319;MM306319;CCOC(=CCO)C(=N)N;PFRWVRABMUAVFB-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306320;MM306320;CCOC(=CCO)C(N)=O;OTRRGALJCISMTA-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306321;MM306321;COc1cc(=O)nc(O)o1;XMFGFABQMZUYLA-UHFFFAOYSA-N;143.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306322;MM306322;CCOC(=CNC)C(N)=O;JRIIKHGLNKMWDX-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306323;MM306323;C#CCOC=CC(=O)O;VEHQMGHRNBBKJU-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306324;MM306324;CC(C)=CC=NOCC=O;LFQRFCMURZHDKH-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306325;MM306325;O=CCON=CC=C(F)F;KBQOLECIPNXKGS-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306326;MM306326;C=CC=C(CCO)C(C)=O;HURZJMARARFNLK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306327;MM306327;CC(=O)C(=CC#N)CCF;VZASVAKVSWLXBJ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306328;MM306328;C=CC=C(CCC)C(=N)N;RXXBLQNHCOCRDE-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306329;MM306329;C=CC=C(CCN)C(=N)N;XNZPAEMJFKFBPJ-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306330;MM306330;N#CC=C(CCO)C(=N)N;NYIAKCFUDPHCOD-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306331;MM306331;C=CC=C(CCN)C(N)=O;HYZVMLDUJULOII-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306332;MM306332;CCCC(C)=NOCC=O;VYPVMTWYRGGGNK-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306333;MM306333;C=CC=C(CCF)C(=O)O;JFOMGGGOULHFPV-UHFFFAOYSA-N;144.15;1.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306334;MM306334;C=CC(O)(C=C)C(=O)O;SLTNMRAJGYQVSZ-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306335;MM306335;C=CC=C(CNC)C(=C)C;DOLGOPOACKNGJJ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306336;MM306336;CNCC(=CC#N)C(=N)N;AQWFBCGDZVDVBF-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306337;MM306337;C=CC=C(COC)C(=N)N;CSLCWGGDAYPTIX-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306338;MM306338;COCC(=CC#N)C(=N)N;OEHKVYRBMWTFJL-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306339;MM306339;CCCCNC(=O)C(C)C;GZAROOOHRGKEPC-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306340;MM306340;C=NN=C(CCF)C(=C)C;FNWAVSGWBZHHLO-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306341;MM306341;C=NN=C(CCN)C(=N)N;SQAWNEUEVICSEL-UHFFFAOYSA-N;141.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306342;MM306342;C=C(COCCC)C(N)=O;LMWYXXONBVIPBZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306343;MM306343;C=NN=CCC(=O)C(C)C;ZXDQNJFSMPIJLO-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306344;MM306344;C#CC(O)CC(=O)O;ROBNOQIXEHAIPS-UHFFFAOYSA-N;114.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306345;MM306345;CCNC(=O)C(C)C(C)C;CPBNMWCJKPJLOV-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306346;MM306346;Oc1c(F)nn(O)c1O;VHORVMQMACBQAZ-UHFFFAOYSA-N;134.07;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306347;MM306347;C=CC(C=C)CC(=O)NC;UONVLGASMGHXCV-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306348;MM306348;CCC=NN=CC(=O)O;GERVTWFUEAWHOV-UHFFFAOYSA-N;128.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306349;MM306349;CON=C(NC=O)C(=N)N;KPNFBBWUFBOIBC-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306350;MM306350;C=CC(=CC(=O)NC)CC;RATQWPOITOVYIM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306351;MM306351;CON=C(NC=O)C(N)=O;FIQCJBVVFHEJCM-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306352;MM306352;C=CC(CC)CNC(C)=O;YLYNMMSQIPBNFR-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306353;MM306353;C#Cc1noc(O)n1;ILXIDSOMOXVLEW-UHFFFAOYSA-N;110.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306354;MM306354;C#CC=C(CCF)C(=N)N;LXDILGDRNWXANZ-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306355;MM306355;CCC(=O)CC=NN=CN;UOWGMQLWFTVMIP-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306356;MM306356;C#CC=C(CNC)C(=C)C;QOBXSIRWWXRJHX-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306357;MM306357;C#CC=C(OCC)C(N)=O;ZWGZOMWDLNNIGX-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306358;MM306358;C=C(C)C(=CCC)CC=O;YGZFDGURJNWGQQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306359;MM306359;C=C(C)C(=CCF)CC=O;XREHDMHNGKHGRG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306360;MM306360;CC(=O)C(=CCO)CC#N;MROGJRLSSKWCBZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306361;MM306361;C=CCC(=CCC)C(=N)N;MIWNQHOULQYWEO-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306362;MM306362;C=CCC(=CCN)C(=N)N;BYKBRZQVMFXNPR-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306363;MM306363;C=CCC(=CCO)C(=N)N;NFKICYJFVANCNZ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306364;MM306364;CCC=C(CC#N)C(=N)N;OVZBAZLSUIUSQO-UHFFFAOYSA-N;137.19;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306365;MM306365;N#CCC(=CCO)C(=N)N;RYJIWECRFHUVFE-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306366;MM306366;N#CCC(=CCF)C(=N)N;AQGRGVQRUWGMSV-UHFFFAOYSA-N;141.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306367;MM306367;CC=NN=CCC(=O)CC;HCEJZMLCSUCHEY-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306368;MM306368;C=CC(=C)C=NOCC=O;AJOZHCJBLHBDKT-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306369;MM306369;CC=C(C)C=NOCC=O;SAWZPSHCYKEJBA-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306370;MM306370;C=CCC(=CCC)C(=O)O;LGMHFXHLGULJAD-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306371;MM306371;C=CCC(=CCN)C(=C)F;FQKWJTNMHUTGRJ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306372;MM306372;CNC=C(CC#N)C(=N)N;YKOQTXZLDRFMQR-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306373;MM306373;CCC(CC)=NOCC=O;SLMJSCZOVAKYQH-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306374;MM306374;CC#CC1=NOC(C=O)C1;LQLSBVDEZPLYDO-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306375;MM306375;CCc1onc(O)c1F;DDILRJFKWBAJHH-UHFFFAOYSA-N;131.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306376;MM306376;CNN=C(CC=O)C(=N)N;KIWIMZQELOQVTF-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306377;MM306377;C=Cc1[nH]nc(NN)c1C;SZEVOVXCMBONBJ-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306378;MM306378;C#CC(=O)C1C(C=O)N1C;PBFRPLBFQLUTLW-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306379;MM306379;C=NOCC=NOCC=O;GJQAWFSSSUNYMI-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306380;MM306380;CON=C(CC#N)C(N)=O;WHVSLYSTYAVNCZ-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306381;MM306381;CCC=CC=NOCC=O;NHBJKOUTUMCPRY-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306382;MM306382;CCC=C(NC=N)C(=N)N;YMFSGIQGOLXRCB-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306383;MM306383;N=CNC(=CCN)C(=N)N;LSWWIRVGMRWWSZ-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306384;MM306384;N=CNC(=CCO)C(=N)N;SEOGTASFXKKDBY-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306385;MM306385;N=C(N)C(=CCO)NC=O;KYUAYXRVKPQXGA-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306386;MM306386;CCC=C(N=CN)C(N)=O;IFHSHXXMSLAXSX-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306387;MM306387;NC=NC(=CCN)C(N)=O;XGGFYHNEHCYEPD-UHFFFAOYSA-N;142.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306388;MM306388;N=CNC(=CCO)C(N)=O;YXRSIYKGFBFZGJ-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306389;MM306389;CCC=C(NC=O)C(N)=O;YIXMUFBYKSHMDR-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306390;MM306390;CNC=C(NC=N)C(=N)N;IRXDMVQQMRFYRL-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306391;MM306391;C=C(C)OCC(C#N)=NO;JTCOADVILUHCSS-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306392;MM306392;COC=C(NC=N)C(=N)N;GWHVBMJXPFKHMN-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306393;MM306393;COC=C(NC=O)C(=N)N;HIWKXYPSIZZQNF-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306394;MM306394;C=C(F)C(=COC)NC=N;AZBHDTZIEPBYGM-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306395;MM306395;C=C(F)C(=COC)NC=O;CKHPCHOOCFVHNO-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306396;MM306396;C=CN=C(NCC)C(=N)N;NCDDLUJTAVYWFD-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306397;MM306397;C#CC=CC=NOCC=O;MGVOPYHWLFYCAU-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306398;MM306398;O=CC(C#CC1CN1)CF;JVAPDDZEEYMPJB-UHFFFAOYSA-N;141.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306399;MM306399;CNC(=O)C(C)(C)C;QMKKJBRRKIKWFK-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306400;MM306400;C=CNC(=NOC)C(=N)N;GUPVZQULVOMXDL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306401;MM306401;C=COC(=CCN)C(=N)N;HWCQYAYFIMZDEH-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306402;MM306402;C=COC(=CCF)C(N)=O;CIYQNFHPCBNQQO-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306403;MM306403;C=COC(=CNC)C(N)=O;NSGZORPDZVAXDQ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306404;MM306404;COC=C(OC=O)C(=N)N;WSZJJJINQPJCIQ-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306405;MM306405;CC=COCC(C#N)=NO;RKEMDDXOIYGUBN-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306406;MM306406;CCOC(C)C(C#N)=NO;UOUXZRUJHVSAQN-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306407;MM306407;CC1(C#N)NCC1=O;RSFZVVZUJAETJU-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306408;MM306408;C=NNC(C)CC(N)=O;BEKKNDJUYPDGSC-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306409;MM306409;C=C(F)C(=NOC)OC=O;GDBIMZJHMTWGKC-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306410;MM306410;CCC(=O)NCC(C)C;QTVUDNOFBZLOHM-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306411;MM306411;C#CC1N=CN(N)C1=N;VJKJCLNONJCAHF-UHFFFAOYSA-N;122.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306412;MM306412;C#CC1=NOC(C=O)C1;FUXOXMKRYZORSF-UHFFFAOYSA-N;123.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306413;MM306413;C=NOC(=NOC)C(=C)F;BBKLYMAVRTZUBD-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306414;MM306414;C=CCC(=CC=O)C(=C)C;VSZWPCMRQUXSCC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306415;MM306415;C=CC=C(CC=O)C(=C)C;ZDHZGSPEFXZVFO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306416;MM306416;C=CCC(=CC=O)C(C)=O;TXTPZZFQJXMKNQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306417;MM306417;CC(=O)C(=CC#N)CC=O;LWNHOSSIAKVPBT-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306418;MM306418;C=CC=C(CC=C)C(=N)N;SWEXPJFSZTVUJZ-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306419;MM306419;C=CC=C(CC#N)C(=N)N;YWUXGFKMXGXMQC-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306420;MM306420;N#CCC(=CC=O)C(=N)N;QAMPWYDAJAKRPW-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306421;MM306421;C#CCC=NOCC=O;OBAXGNPSDCQWEG-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306422;MM306422;CC(CC(N)=O)C(C)(C)F;XSCWSFIZQDTWSY-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306423;MM306423;CC(F)C(C)(C)CC(N)=O;IGQLHRAEHRZANZ-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306424;MM306424;N#CCC(=CC=O)C(N)=O;ZOAPBZJIHVNKRL-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306425;MM306425;CC(=NN1CC1)C(=O)O;PTTZOQJEBNGBGC-UHFFFAOYSA-N;128.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306426;MM306426;C=CC=C(CC=O)C(=C)F;GWALMDCHLQKGBB-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306427;MM306427;CC(=NNCCO)C(=O)O;HBDDDZNLHCQCNF-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306428;MM306428;C=C(C)C(=CC#N)NC=N;QPBCGEULBBARMQ-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306429;MM306429;C=CC=C(NC=N)C(=N)N;WERDDNLYMGOEIF-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306430;MM306430;N=CNC(=CC=O)C(=N)N;MZEFDXNBZRDDQK-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306431;MM306431;NC(=O)C(=CC=O)NC=O;QACFVXHMEJGPCF-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306432;MM306432;Oc1c[nH]nn1;QEASJVYPHMYPJM-UHFFFAOYSA-N;85.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306433;MM306433;C=C(F)C(=CC#N)NC=N;SQXIKOADSNMKTL-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306434;MM306434;C=C(F)C(=CC=O)NC=O;OXYDIFRAMLATGB-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306435;MM306435;C=C(F)C(=CC#N)NC=O;JAHIZOAUMAALAK-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306436;MM306436;CC(=O)CC(C)CC(N)=O;ATDOYCJXGMLHKE-UHFFFAOYSA-N;143.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306437;MM306437;COC(=NO)C(C)C(=O)O;RBDLIVDISSNARV-UHFFFAOYSA-N;147.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306438;MM306438;C=CN=C(NC=N)C(=N)N;NJHCJHPKIJOBMT-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306439;MM306439;N=CN=C(NC=O)C(=N)N;VLCDJWVVFWNDBT-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306440;MM306440;N=C(N)C(=NC=O)NC=O;IWXFPTUQXDTUNE-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306441;MM306441;C=CN=C(NC=O)C(N)=O;RSFNESVDOGOUFE-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306442;MM306442;N=CN=C(NC=O)C(N)=O;VAGFDEQPEOXEFH-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306443;MM306443;NC(=O)C(=NC=O)NC=O;IUSMKQRVJUIEMZ-UHFFFAOYSA-N;143.1;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306444;MM306444;CNc1noc(O)c1O;FNJKBPQTQYADBL-UHFFFAOYSA-N;130.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306445;MM306445;C=C(F)C(=NC=N)NC=O;FXQKVBUOCZCCET-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306446;MM306446;C=NN=C(NC=O)C(N)=O;SPMBDFRMCXNZDU-UHFFFAOYSA-N;142.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306447;MM306447;CC(=O)CCCCC(N)=O;DMTOPWUCJPVQQU-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306448;MM306448;Cn1[nH]c(F)c(N)c1=NO;XGFVGFGAIDMECV-UHFFFAOYSA-N;146.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306449;MM306449;C=COC(=CC=O)C(N)=O;FQUAOPGYRWDNTK-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306450;MM306450;CNN=C(C(=O)O)N(C)C;RVZJMOMCDBFFAP-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306451;MM306451;Cc1n[nH]n(N)c1=O;FNLZGKAJCJZHHP-UHFFFAOYSA-N;114.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306452;MM306452;C#CC=C(NC=O)C(C)=O;PIEWBXWHAHRNTL-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306453;MM306453;C#CC=C(NC=N)C(=N)N;RLAMDVDNXNFHAO-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306454;MM306454;C#CC=C(NC=O)C(=N)N;ABVGVBYDNNBFFD-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306455;MM306455;C#CC=C(NC=N)C(=C)F;XPGNCFBXGXPQEO-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306456;MM306456;C#CC=C(NC=O)C(=C)F;DIGIPZABBDNTKC-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306457;MM306457;C#CC(CC(=O)O)=NNC;OSVCKWPYIKVCLY-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306458;MM306458;C#CCC(=CCF)C(=N)N;NHESXMUKYLBVJI-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306459;MM306459;C#CCC(=CCC)C(=O)O;GGBVQPQZTCWDJE-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306460;MM306460;C#CCC(=COC)C(C)=O;YBKYWTWVSYVHLY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306461;MM306461;C#CCC(=COC)C(=N)N;OTQDZVXOAAFHNT-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306462;MM306462;CC(=O)NCCC=C(C)C;TYAHGNCMFAFXOL-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306463;MM306463;CC1N(CC(N)=O)C1(C)C;UFAUBTFIMWPHNG-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306464;MM306464;C#CCC(=CC=O)C(=C)C;KYERLNFAQPNFBZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306465;MM306465;C#CCC(=CC#N)C(C)=O;XVCXOHJTLMDHSE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306466;MM306466;C#CCC(=CC#N)C(N)=O;UPLRGRIFRCJQCJ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306467;MM306467;CC(C)C(C=CF)=CCN;BRWJYHDRPKJWTN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306468;MM306468;CC=CC(=CCO)C(C)N;PUXYDEVSMDGRQT-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306469;MM306469;CC(N)C(C=CF)=CCO;DTWYLOYMGUIMDT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306470;MM306470;CC(F)C(C=CF)=CCN;NYXRWFZXFMJFGX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306471;MM306471;CCC=C(C=NO)C(C)N;QKFYOIRBXSDYKP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306472;MM306472;CC(N)C(C=NO)=CCO;ISWYZIRPKLJMGF-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306473;MM306473;C=CCC(C)CNC(C)=O;DYLRCLGGIBYXKY-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306474;MM306474;CN=CC(=CNO)C(F)F;ULGFSZMYKABQEF-UHFFFAOYSA-N;150.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306475;MM306475;CNN=C(C=CN)C(C)N;AHEDWSAFHKHLHQ-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306476;MM306476;CC=CC(=NNC)C(C)F;FMUDSEHBLKZRPE-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306477;MM306477;CNN=C(C=NO)C(C)O;KHDCLVLJWSHDQQ-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306478;MM306478;C#CCC(=C)C=CC(N)=O;ATXSCJNOGFHESK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306479;MM306479;CON=C(C=CF)N(C)C;ARZJLTDLBQXNSI-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306480;MM306480;CC=CC(=NOC)N(C)N;BTRCGKAFTXJRCG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306481;MM306481;CON=C(C=CF)N(C)N;FBOZQNYEYFSBAN-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306482;MM306482;CCC(=O)CCCC(N)=O;RJSZTLGADDVJPF-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306483;MM306483;C=C(CC)CCNC(C)=O;XXZCXXOGFSSXAP-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306484;MM306484;C=C(F)CC=NOCC=O;JKCQHPMKLKPSMW-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306485;MM306485;CC(F)C(C=CF)=CC=O;JFCKFPCQENIERY-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306486;MM306486;CC(C)C(C=NO)=CC=O;PQNOWWIIZCJJEW-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306487;MM306487;CC(F)C(C=NO)=CC=O;WVLCKCSSVMRLCE-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306488;MM306488;C=NN=C(C=CC)C(C)C;PRBMBTAUBSTHPO-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306489;MM306489;C=NN=C(C=NO)C(C)O;ZYHXODAPPKZSCQ-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306490;MM306490;CN(C)C(C=NO)=CC#N;BXLMORVDBQCIMK-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306491;MM306491;C#CCC=CC=CC(N)=O;NIINURRCNQJKNF-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306492;MM306492;C=C(CCC#CC)C(N)=O;BHICSVDCIRCZTH-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306493;MM306493;C=C(F)C(CC=O)N(C)C;IMEKRNGJXSWDOE-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306494;MM306494;CN(O)C(C=CN)=NC=O;CVEWWBMEWHVAHN-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306495;MM306495;C=NN=C(C=CF)N(C)N;GLJFRNKKWPETEP-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306496;MM306496;C=CC(=C)CCC(=O)NC;PWGPPKHRPLUUCM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306497;MM306497;C=CC1(C)CC1CNC=O;PKJUUILDAGOMFC-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306498;MM306498;C=CCC1CC1CNC=O;XYPGQCSEPOIJEC-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306499;MM306499;CN(O)C(C=NO)=NC=N;ZBUJMTUWBCFLMO-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306500;MM306500;C#CC=C(C=NO)C(C)C;UMRAJJHOCZLQTF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306501;MM306501;C#CC=C(C=NO)C(C)N;LYGFEFZZLNXXCD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306502;MM306502;C=NNCC=NOCC=O;QODRJWYUUNFATA-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306503;MM306503;CCC=C(C=CF)C(C)=O;YHYPKVXACGDBQT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306504;MM306504;CC=CC(=CCN)C(=N)N;KSFTYOBFZXRURD-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306505;MM306505;CC=CC(=CCO)C(=N)N;KNBSZAXPDCRJJR-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306506;MM306506;CCC=C(C=CF)C(=N)N;BDKHDXGNNLJGDD-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306507;MM306507;CC=CCC=NOCC=O;HMKTXYVPFRSYCW-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306508;MM306508;CC=CC(=CNC)C(=N)N;DYURCAGAUPMLPL-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306509;MM306509;CNC=C(C=CF)C(=N)N;HWFUGAIPFTYQLE-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306510;MM306510;C=CC1C(C)C1CNC=O;ZFUZILWNLGNZPH-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306511;MM306511;Cc1c[nH]nc1C;VQTVFIMEENGCJA-UHFFFAOYSA-N;96.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306512;MM306512;CC(=O)C(C=NO)=CCO;PUNUZHNIKBMMPT-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306513;MM306513;Cn1[nH]c(=O)c(=O)nc1N;WCJHOBHXZLAETO-UHFFFAOYSA-N;142.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306514;MM306514;C=C(CC)CNC=O;OWOGUAKOOFPARD-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306515;MM306515;CNN=C(C=CN)C(=N)N;ILDRRHVKSAECDJ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306516;MM306516;CC=C(C)CNC=O;UIMHERUYFVDQHR-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306517;MM306517;CCC=CC(=O)NC;LGJWBFOHDGOHPU-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306518;MM306518;CCC=NOCC=O;XAPBFIZPNONCDF-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306519;MM306519;C=NN(C)CCC(N)=O;UYRADELIUUJPPS-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306520;MM306520;CON=C(C=CN)C(=N)N;CFZVEHYRDHBJHT-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306521;MM306521;CCCNC(=O)CCC;TUDFZSGUEDLTJC-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306522;MM306522;CC1CC1(C)CNC=O;CVWCTIPJZBDVLM-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306523;MM306523;CN=NC(=CNN)C(=N)N;MMHCEPNHCXTFLU-UHFFFAOYSA-N;142.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306524;MM306524;CN=NC(=CNO)C(=N)N;PBAXGRDKOOLZTO-UHFFFAOYSA-N;143.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306525;MM306525;CCCCNC(=O)CC;XQZDWKBCGAJXLC-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306526;MM306526;CNN1CC(CF)C1=O;CMBRBCBGFNNKGW-UHFFFAOYSA-N;132.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306527;MM306527;CC=NOC(C)C(=O)O;TXUMIMYRYROXRM-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306528;MM306528;COc1nc(=N)c(=O)[nH][nH]1;OIZNOXUAVCLLBT-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306529;MM306529;C=CC=C(C=CC)C(C)=O;PMCRMPHGYLKNCG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306530;MM306530;N#CCNC(C#N)C=O;OWSUBOJSDVHWFW-UHFFFAOYSA-N;123.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306531;MM306531;O=CC1(CCC(=O)O)CN1;YLAGSSIEAHPABH-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306532;MM306532;C=NN=C(C=CF)C(C)=O;DKORNULFVLLTJH-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306533;MM306533;C=NN=C(C=CF)C(N)=O;CIZHNXALVMEIJH-UHFFFAOYSA-N;143.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306534;MM306534;C#CC(CC)OCC(=O)O;ONRATXGVPWZVMQ-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306535;MM306535;CCC1(CNC=O)CC1;UVCVSMBYDXHLHR-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306536;MM306536;CCCC=NOCC=O;DFWFDFIUUWYGPK-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306537;MM306537;CC#CC(=NC=N)N(C)N;SYFVEBTZOARXNW-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306538;MM306538;CC#CC(=CCO)C(C)=O;PXYDUOHSEXNQCJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306539;MM306539;CC#CC(=CCF)C(=N)N;YEDJMMIYAQPFJN-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306540;MM306540;C=C(F)C(C#CC)=CCO;FHDLMWRJXKVUGJ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306541;MM306541;CC#CC(=COC)C(=N)N;VLAIUPRVYCNOIV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306542;MM306542;CC#CC(=CC#N)C(=N)N;XXTPAAIQQPPHNK-UHFFFAOYSA-N;133.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306543;MM306543;CC#CC(=CC#N)C(N)=O;FPEBZIQHGIBWSY-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306544;MM306544;CC(C)=C(CCN)CCO;AWLSFKXJSXORCK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306545;MM306545;CC(F)=C(CCN)CCN;FPEDGGKGVZAVMY-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306546;MM306546;CC(F)=C(CCN)CCF;SQYWVVATNHZEMX-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306547;MM306547;CC(F)=C(CCO)CCO;IPCGLUBZNCYXOG-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306548;MM306548;CC(F)=C(CCF)CCF;QUEJANYWXPCLJL-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306549;MM306549;NCCC(CCN)=C(F)F;AJYGCDKCVDXZRI-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306550;MM306550;NCCC(CCO)=C(F)F;SKLQFQAKVHTJTR-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306551;MM306551;NCCC(CCF)=C(F)F;PMMNKHSCVBQZJL-UHFFFAOYSA-N;153.15;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306552;MM306552;CCCC(CNC)=C(C)C;FCRCPSLUQUIRSJ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306553;MM306553;CNCC(CCF)=C(C)C;IEGZJXRFRWJAQH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306554;MM306554;CCCC(CNC)=C(C)F;NRUFXBGJDUENEC-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306555;MM306555;CNCC(CCN)=C(C)F;MUOXTPLLCRBDGJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306556;MM306556;CNCC(CCO)=C(C)F;RBXSHDZPZGCUMD-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306557;MM306557;CNCC(CCF)=C(C)F;ORSVLRJNABHWLX-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306558;MM306558;CNCC(CCN)=C(F)F;GVJSPAFQCBSKGN-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306559;MM306559;CNCC(CCF)=C(F)F;PTXVLMIVFLRLJR-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306560;MM306560;COCC(CCN)=C(C)F;LSPZPIZOCQXJFJ-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306561;MM306561;CNCC(CNC)=C(C)C;UQHPCMJHJCRZNG-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306562;MM306562;CC(C)(F)CCCC(N)=O;KJDXASHALSEHOT-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306563;MM306563;CCCC(CC=O)=C(C)F;KEHZMPFLGZNFER-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306564;MM306564;C=CCC(CCN)=C(C)F;FLJUNUPWIQJORD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306565;MM306565;C=CCC(CCF)=C(C)F;OBSXDWKVNKJSII-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306566;MM306566;CC(F)=C(CC=O)CCF;KZFSWCAPWYJZDI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306567;MM306567;C=CCC(CCN)=C(F)F;KELKSQFKOFLEHM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306568;MM306568;O=CCC(CCF)=C(F)F;WFMRLQYTJQSOGD-UHFFFAOYSA-N;152.12;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306569;MM306569;C=CCC(CNC)=C(C)C;ZNTRAERFRXDRAZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306570;MM306570;C=CCC(CNC)=C(C)F;ZGLZJMLLBBGSAH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306571;MM306571;C=CCC(CNC)=C(F)F;QUPQQCHXFSDIKF-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306572;MM306572;COCC(CC#N)=C(C)F;IEZJJPYIZLHJIZ-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306573;MM306573;CC(C)=C(CCN)NC=O;UYIRCFSTHZSNNZ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306574;MM306574;CC(C)=C(CCF)NC=N;ZDCLHYSMEQTPDE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306575;MM306575;CC(C)=C(CCN)OC=O;GMDDGYTZIDRDFL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306576;MM306576;CC(F)=C(CCF)OC=O;IRJVOTOVUUUNBU-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306577;MM306577;NCCC(OC=O)=C(F)F;MXQBTUSPCTXQKF-UHFFFAOYSA-N;151.11;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306578;MM306578;CNCC(OC=O)=C(C)C;PTYMWUXRWHROLI-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306579;MM306579;C=COC(COC)=C(C)C;XVHDRLGANSNPNZ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306580;MM306580;CCOC(NC=N)=C(C)C;NCFJFLQQTHAJOM-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306581;MM306581;CCOC(NC=O)=C(C)F;GBZUCVJCYJDXRB-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306582;MM306582;C#CCC(CCF)=C(C)C;ICGNRRQKGRVONA-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306583;MM306583;C#CCC(CCF)=C(C)F;IWQCTGWRNGSJBO-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306584;MM306584;C#CCC(CCC)=C(F)F;IJXHDAXKIHJFQC-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306585;MM306585;C#CCC(CNC)=C(C)C;DTXAIBLWPMEGNF-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306586;MM306586;C#CCC(CNC)=C(C)F;MGQHGLIDUGTISB-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306587;MM306587;C=CCC(CC=O)=C(C)F;LNNKEAWAGNLHAW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306588;MM306588;CC(F)=C(CC=O)CC=O;QMMZYOPFLQMAGF-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306589;MM306589;O=CCC(CC=O)=C(F)F;OMKLPOOWRJXZNW-UHFFFAOYSA-N;148.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306590;MM306590;CC(C)=C(CC#N)NC=N;JSHJOCFTYIJRCA-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306591;MM306591;C=COC(CC#N)=C(C)F;WEWDRIXFGPKOBE-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306592;MM306592;CC(F)=C(CC=O)OC=O;GKJDWNOFJRVZDN-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306593;MM306593;CC(F)=C(CC#N)OC=O;OXESYIQTJFEOEF-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306594;MM306594;N=CNC(NC=N)=C(F)F;NVUJOVJQCFBOPE-UHFFFAOYSA-N;148.12;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306595;MM306595;C=COC(NC=N)=C(C)C;NDKZQXBAKFVLGC-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306596;MM306596;CC(C)=C(NC=O)OC=O;AWYIURKWXDKDNP-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306597;MM306597;C#CCC(CC=O)=C(C)F;GLCHTGQNPGDTCL-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306598;MM306598;C#CCC(CC=C)=C(F)F;IAQBDDYTAVRZFI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306599;MM306599;CC=CC(CCN)=C(C)F;QJFIXZXYHLQXHA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306600;MM306600;CC(F)=C(C=CF)CCN;IZTXRLDZWMQYQA-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306601;MM306601;CC=CC(CCN)=C(F)F;WNRGITALAYEJEN-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306602;MM306602;NCCC(C=CF)=C(F)F;MRHBPPKNGKBNDH-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306603;MM306603;CC(C)=C(C=NN)CCF;OYFTUYATWPUACB-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306604;MM306604;CC(C)=C(C=NO)CCF;QQDLWIQXJVVESZ-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306605;MM306605;CC=CC(CNC)=C(C)C;KGPRULSUCDTTJJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306606;MM306606;CNCC(C=CF)=C(C)C;ZKGOTUXVJMALBA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306607;MM306607;CC=CC(CNC)=C(C)F;BFPRCIUICFCESD-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306608;MM306608;CNCC(C=CF)=C(C)F;PULRXKGSUDJLKO-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306609;MM306609;CC=CC(CNC)=C(F)F;VHENKTZHUORKSF-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306610;MM306610;CNCC(C=CF)=C(F)F;FMEKTABCPZLLBV-UHFFFAOYSA-N;151.13;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306611;MM306611;CNCC(C=NN)=C(C)C;OFOLZJPFHZPDBS-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306612;MM306612;CNCC(C=NN)=C(C)N;IUNSKGRDLYTGPA-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306613;MM306613;CNCC(C=NO)=C(C)N;YWTJJLBMJFKGIJ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306614;MM306614;COCC(C=NO)=C(C)F;GOZQEKUFJFBQIU-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306615;MM306615;CCOC(C=NN)=C(N)N;TXYPBUUTHDLZOY-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306616;MM306616;CCOC(C=NO)=C(N)N;MYHOHNXLYRWQOD-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306617;MM306617;CC(C)=C(C=CF)CC=O;BOLXBQBOXYXCPJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306618;MM306618;CC=CC(CC=O)=C(C)F;HSZHKFZNGFQYJL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306619;MM306619;CC(F)=C(C=CF)CC=O;LUAIWWHYNUNYJK-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306620;MM306620;O=CCC(C=CF)=C(F)F;DZPBPQXHWRKSRM-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306621;MM306621;CC(C)=C(C=NO)CC=O;KBOMGTHHBYDFEO-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306622;MM306622;CC(F)=C(C=NO)CC=O;UVPMYAOYFBKCTB-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306623;MM306623;C=CCC(C=NN)=C(F)F;PGMSYUOQDIALGD-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306624;MM306624;N=CNC(C=NN)=C(N)N;MAUDZJDUGQZNQX-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306625;MM306625;N=CNC(C=NO)=C(N)N;ZVPIFPIEJTZIGP-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306626;MM306626;NN=CC(NC=O)=C(F)F;WUSBIGDSKODNNS-UHFFFAOYSA-N;149.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306627;MM306627;C=COC(C=NN)=C(C)C;IQGMDWYVZZRCLR-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306628;MM306628;C=COC(C=NN)=C(C)F;SFHDLRXBGXCEAI-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306629;MM306629;C#CCC(C=NO)=C(C)C;GBSMEDGFQODESK-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306630;MM306630;CC(C)(CCF)CC(N)=O;MSGPRMDUNYEROD-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306631;MM306631;CC(F)CC(C)CC(N)=O;UOPNZIGPWMDSOT-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306632;MM306632;CC#CC(NC=N)=C(C)F;HYWLIHHTWAZJAN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306633;MM306633;CC#CC(NC=O)=C(C)F;CYFFICGVMHVCRX-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306634;MM306634;CCC(C)(C)N(C)C(N)=O;WARIDMYUVTULGD-UHFFFAOYSA-N;144.22;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306635;MM306635;CC(C)C(CCN)C(C)C;RMDIGSJHBWSQJS-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306636;MM306636;CC(C)C(CCF)C(C)N;YVDZUPNEPFRRCS-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306637;MM306637;CC(C)C(CCF)C(C)O;RCSBEPDGMNULMA-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306638;MM306638;CC(C)C(CCN)C(C)F;XUXUDVWIRACFLP-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306639;MM306639;CC(C)C(CCF)C(C)F;YTZHHWHEGQALOI-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306640;MM306640;CC(C)C(CCN)C(F)F;VMLTWSJQYWUXJQ-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306641;MM306641;CC(C)C(CCO)C(F)F;SUOBLVVPMRBDIU-UHFFFAOYSA-N;152.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306642;MM306642;CC(C)C(CCF)C(F)F;FHYKEJKPHXRTMD-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306643;MM306643;CC(N)C(CCN)C(C)N;PCMAPQFRDCAXJZ-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306644;MM306644;CC(N)C(CCN)C(C)O;OQCSBSUGKCXHAJ-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306645;MM306645;CC(N)C(CCO)C(C)F;JAUCXVDKORIJRY-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306646;MM306646;CC(N)C(CCF)C(F)F;RQELEDCPTQBOHB-UHFFFAOYSA-N;155.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306647;MM306647;CC(O)C(CCO)C(C)O;PZEGQFWGFVPGBN-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306648;MM306648;CC(O)C(CCN)C(C)F;CPGTZSBZWYYRRH-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306649;MM306649;CC(O)C(CCF)C(C)F;KLFLOXSQTVOQLA-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306650;MM306650;CC(O)C(CCF)C(F)F;SYOHERSSKMCGTG-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306651;MM306651;CC(F)C(CCN)C(C)F;QCGORKLXLTWJBQ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306652;MM306652;CC(F)C(CCO)C(C)F;WJZQPVLRRZFONC-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306653;MM306653;CC(F)C(CCF)C(C)F;WULAXJMZGKANDW-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306654;MM306654;CNCC(C(C)C)C(C)C;TWUSDQOWLBODLL-UHFFFAOYSA-N;143.27;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306655;MM306655;CNCC(C(C)C)C(F)F;ZLTNCWLMQAOOSI-UHFFFAOYSA-N;151.2;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306656;MM306656;CNCC(C(C)N)C(C)N;WBMOYDXZFMYPSV-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306657;MM306657;CNCC(C(C)N)C(C)O;FACVLINPAYVTHB-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306658;MM306658;CNCC(C(C)F)C(C)F;IFSUOYJEUOHPMV-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306659;MM306659;CCNC(C(C)C)C(C)C;JECFXXKFMGDDJN-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306660;MM306660;CCNC(C(C)C)C(C)N;VSXXCLYBUBTDQS-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306661;MM306661;CCNC(C(C)C)C(C)F;WAILOJIOGWIAEO-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306662;MM306662;CCNC(C(C)N)C(C)O;BJDNFBKYUWZGFD-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306663;MM306663;CCNC(C(C)N)C(F)F;VDJDUDMLODWIRY-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306664;MM306664;CC(C)C(CCF)N(C)C;KXXRRHJKLCQYJR-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306665;MM306665;CN(C)C(CCN)C(F)F;PLSGLMGVSDMCJB-UHFFFAOYSA-N;152.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306666;MM306666;CCC(C)(CF)CC(N)=O;ISCADKCJEHHDBA-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306667;MM306667;CNCC(C(C)C)N(C)C;OIHWUNZBRWUZHS-UHFFFAOYSA-N;144.26;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306668;MM306668;CCCN(C(C)C)C(C)C;DLMICMXXVVMDNV-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306669;MM306669;CC(C)N(CCN)C(C)C;CURJNMSGPBXOGK-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306670;MM306670;CC(C)N(CCO)C(C)C;ZYWUVGFIXPNBDL-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306671;MM306671;CC(C)N(CCF)C(C)C;PHENGBDZZSYMBR-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306672;MM306672;C=CCC(C(C)C)C(C)N;GNZPMIHZTFMJBT-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306673;MM306673;C=C(CC(=O)NC)C(C)C;SWZCSXRVTNOGCH-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306674;MM306674;CC(C)C(CC=O)C(C)O;RTJKBSDSDPXVGD-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306675;MM306675;CC(C)C(CC=O)C(C)F;OEXQJGKANMTMJM-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306676;MM306676;C=CCC(C(C)C)C(F)F;JIRFUSUFESKMAZ-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306677;MM306677;CC(C)C(CC=O)C(F)F;UAOOFIHOTZJNNT-UHFFFAOYSA-N;150.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306678;MM306678;C=CCC(C(C)O)C(C)O;FVYIFLDUMIWMKW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306679;MM306679;C=CCC(C(C)O)C(F)F;WVDMLOXXRMIMTA-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306680;MM306680;C=CCC(C(C)F)C(C)F;DLDHVNYUPKIJDZ-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306681;MM306681;CC(F)C(CC=O)C(C)F;QSHUQTXXUAGJSF-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306682;MM306682;C=CCC(C(C)F)C(F)F;JFUMINQFPSIHEI-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306683;MM306683;C=CCC(C(F)F)C(F)F;OYSUWVAONZCDBA-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306684;MM306684;CC(C)C(NC=N)C(C)C;HLCUICUBSAAGEF-UHFFFAOYSA-N;142.25;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306685;MM306685;C#CC(C)C=C(C)C(N)=O;PRJWFKWAOMCPGI-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306686;MM306686;CC(C)C(NC=N)C(C)F;NFGJHXJHMIQLKI-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306687;MM306687;CNC(=O)CC(C)=C(C)C;XQIFDOXPVKMXLZ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306688;MM306688;CC(F)C(NC=N)C(C)F;LAZWUEPNQSHWKU-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306689;MM306689;C=NNC(C(C)N)C(C)N;QRLOEXAFFWHGQN-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306690;MM306690;C=NNC(C(C)N)C(C)O;HEODNDVBQDPUKD-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306691;MM306691;CC(C)C(OC=O)C(C)O;ZUEDKVMEHDZYHQ-UHFFFAOYSA-N;146.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306692;MM306692;CC(C)C(OC=O)C(F)F;JTEUPFOFSQZADS-UHFFFAOYSA-N;152.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306693;MM306693;CC(O)C(OC=O)C(C)F;ZASBMPZURLZTDS-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306694;MM306694;CC(O)C(OC=O)C(F)F;YKKXCCLDNRDANW-UHFFFAOYSA-N;154.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306695;MM306695;C#CC(C)(C#N)C(C)CC;OKIPRJRMMQDXTO-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306696;MM306696;CC(F)C(OC=O)C(C)F;SYMRCYPKQKMEGH-UHFFFAOYSA-N;152.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306697;MM306697;C#CC(C)(C=C)C(O)CN;WOONVWGVBADHLC-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306698;MM306698;C=NOC(C(C)C)C(C)N;YDLPUDSYAPDOII-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306699;MM306699;C#CC(C)(C#N)C(O)CO;BNCJJFLMVFOBDY-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306700;MM306700;C=NOC(C(C)N)C(C)N;FNBZVRRZPLHDIU-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306701;MM306701;C#CC(O)(C=C)C(O)CF;YEYSRFMVDVNADN-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306702;MM306702;CC(C)C(CC=O)N(C)C;SPVDIPXOOWRWFF-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306703;MM306703;C#CC(O)(C=O)C(O)CO;AJUFDSHIVYQWIL-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306704;MM306704;C#CCC(C(C)N)N(C)C;BIQMJZGNEJINLE-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306705;MM306705;C#CC(O)(C#N)C(O)CO;OYQGKATUSHSFPN-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306706;MM306706;C=C(C)C(CCF)C(C)C;NFOKOCOCTNPXGO-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306707;MM306707;C#CC(O)(C=O)C(O)CF;NSKWLFJKZRLALW-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306708;MM306708;CC(=O)C(CCO)C(C)C;XTPKPWNIEJMIJQ-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306709;MM306709;C#CC(O)(C#N)C(O)CF;NLUXIHINSRKXNU-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306710;MM306710;C#CC(O)(C=O)C(F)CO;BZANUKUICJEWNN-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306711;MM306711;CC(=O)C(CCF)C(C)C;TWSWSEQZGFNMTL-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306712;MM306712;C#CC(F)(C=O)C(O)CC;YOPDWXKFKWRTRP-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306713;MM306713;CCCC(C(=N)N)C(C)C;CJMZOUKCRPUGLY-UHFFFAOYSA-N;142.25;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306714;MM306714;C#CC(F)(C=O)C(O)CO;RLVQQLJQLHSYRO-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306715;MM306715;CC(C)C(CCO)C(=N)N;WCEVSFMGWORCEK-UHFFFAOYSA-N;144.22;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306716;MM306716;C#CC(C)(C#N)C(C)OC;XTUUJWOOOFZICQ-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306717;MM306717;CC(C)C(CCF)C(=N)N;CBURWWIKIWSVDG-UHFFFAOYSA-N;146.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306718;MM306718;C#CC(O)(C=O)C(C)OC;HZKZPXACGATTGI-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306719;MM306719;CCCC(F)CCC(N)=O;XKPGKRHULIDUSF-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306720;MM306720;C#CC(F)(C=O)C(C)OC;KKGCFNLTTKTGBA-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306721;MM306721;CC(C)C(F)CCC(N)=O;WPSISBQJKLSTRR-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306722;MM306722;C#CC(F)(C#N)C(C)OC;DSRPKXCPZOFVPC-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306723;MM306723;CCCC(C(=O)O)C(C)C;ODPKTGAWWHZBOY-UHFFFAOYSA-N;144.21;2.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306724;MM306724;C#CC(C)(C#N)C(C)C=O;HNTQRGRPODOHIT-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306725;MM306725;COC(C)C(C)(O)C(=O)O;RQJFXGNXRXUABT-UHFFFAOYSA-N;148.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306726;MM306726;C#CC(O)(C=O)C(C)C=O;XTBJZURXPDEPLC-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306727;MM306727;CC(C)C(CCF)C(=O)O;UGICDOXCBBLKOO-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306728;MM306728;C#CC(O)(C=O)C(O)C#N;ZSCVAGFYHJPKIA-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306729;MM306729;C=C(F)C(CCN)C(C)C;GAPINCOSHDTOPV-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306730;MM306730;C#CC(O)(C#N)C(O)C=O;FGUPTRJGUHTDLY-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306731;MM306731;C=C(F)C(CCF)C(C)C;JFHZFKPDRIGWJO-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306732;MM306732;C#CC(F)(C#N)C(C)C=O;AWDPBZSTCYPWEX-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306733;MM306733;CC(N)C(CCF)C(=N)N;IZTWFZQPDUTZOG-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306734;MM306734;C#CC(F)(C=O)C(O)C=O;MSOUQOJUUSSWHP-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306735;MM306735;CC(N)C(CCF)C(N)=O;TUIRVMOKTIYECI-UHFFFAOYSA-N;148.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306736;MM306736;C#CC(F)(C=O)C(F)C#N;WNWURFPQUPKAPN-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306737;MM306737;C=C(F)C(CCF)C(C)N;XKDYGLRFAWCRFR-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306738;MM306738;C#CC(F)(C#N)C(F)C#N;AAZQJEFUEOGQDC-UHFFFAOYSA-N;140.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306739;MM306739;C=C(C)C(CCF)C(C)O;DSKIUCFWUXUHLM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306740;MM306740;C#CC(C)C(C)(C#C)C#N;OLJJAFOCMGXVRD-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306741;MM306741;CC(=O)C(CCO)C(C)O;WLLVEZFVLNMGPN-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306742;MM306742;C#CC(C)C(O)(C#C)C=O;NAMZIFFTOVPHJP-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306743;MM306743;CCCC(C(=N)N)C(C)O;UJSFGBXRCWNVFW-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306744;MM306744;C#CC(C)C(O)(C#C)C#N;BTWIXCOQBHQLTA-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306745;MM306745;CC(O)C(CCF)C(=N)N;QZLWCPIQFUINLU-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306746;MM306746;C#CC(O)C(O)(C#C)C=C;DKURQKDYVJNDGU-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306747;MM306747;CC(O)C(CCF)C(N)=O;PLMDQTCQLZUXKY-UHFFFAOYSA-N;149.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306748;MM306748;C#CC(F)C(F)(C#C)C=O;XIAXQCNUEUSOFP-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306749;MM306749;C=C(F)C(CCF)C(C)O;GXQADQPBJVGAKB-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306750;MM306750;C=C(C)C(CCN)C(C)F;IQJGERRSIIKYAE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306751;MM306751;C#CC(F)C(F)(C#C)C#N;JKBGEXYLTPYICE-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306752;MM306752;C=C(C)C(CCF)C(C)F;BERULMIRKYRSJD-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306753;MM306753;C#CC(C)(C#C)C(C)CN;QKXVKQATBYUOMF-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306754;MM306754;CC(F)C(CCF)C(=N)N;CDUYXNGXJALLIT-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306755;MM306755;C=CC(C)C(C)CNC=O;TVNQHWOLTBEIIE-UHFFFAOYSA-N;141.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306756;MM306756;CCCC(C(N)=O)C(C)F;IDMQVYZUVHMVAO-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306757;MM306757;C#CC(C)(C#C)C(C)CF;HVEGVUSXEFYTHI-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306758;MM306758;CC(F)C(CCF)C(N)=O;IKOJQYCSEFSJIE-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306759;MM306759;C#CC(C)(C#C)C(N)CF;CMDIVBOGPSUVSD-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306760;MM306760;CCCC(C(=O)O)C(C)F;JNVBGIMKBRNPSN-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306761;MM306761;C#CC(C)(C#C)C(O)CF;KRNKGAQZOFMYSV-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306762;MM306762;C=C(F)C(CCN)C(C)F;OZKCFBRVWPURJK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306763;MM306763;C#CC(N)(C#C)C(O)CN;ODYZYEOPJYDHCD-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306764;MM306764;C=C(F)C(CCF)C(C)F;LYCHCCBKXSEAGX-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306765;MM306765;C#CC(N)(C#C)C(F)CN;JIOVUJVZLIRCDH-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306766;MM306766;C=C(C)C(CCN)C(F)F;OVJZIHZPLKVPRG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306767;MM306767;C#CC(O)(C#C)C(N)CN;ZPYQGZZSPOYXFS-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306768;MM306768;C=C(C)C(CCO)C(F)F;CAFJRXWCEUJZMB-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306769;MM306769;C#CC(O)(C#C)C(N)CO;UIGMQHPOZIFLDE-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306770;MM306770;C=C(C)C(CCF)C(F)F;IALIORIBXMKGEN-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306771;MM306771;C#CC(O)(C#C)C(O)CN;VERZFZYHRPDGEU-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306772;MM306772;CC(=O)C(CCO)C(F)F;NSBYGSRVLRUXCF-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306773;MM306773;C#CC(O)(C#C)C(O)CO;JDWSOAQBNDVVBJ-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306774;MM306774;CCCC(C(=O)O)C(F)F;QAFUVZGEFKBACW-UHFFFAOYSA-N;152.14;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306775;MM306775;C#CC(O)(C#C)C(O)CF;FEJOYFLAOCERDY-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306776;MM306776;O=C(O)C(CCF)C(F)F;KAUQNGWQAPTDRV-UHFFFAOYSA-N;156.1;1.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306777;MM306777;C#CC(O)(C#C)C(F)CF;FGIKCJPYYUPJFL-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306778;MM306778;C=C(F)C(CCC)C(F)F;CGFRNGQYXVNGHD-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306779;MM306779;C#CC(F)(C#C)C(C)CO;XTETWHCSZHPDCT-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306780;MM306780;C=C(C)C(CNC)C(C)C;FVGSGIBKVQOJQT-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306781;MM306781;C#CC(F)(C#C)C(O)CN;GSQIZRQOZRYSOL-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306782;MM306782;CNCC(C(C)=O)C(C)C;JQFOQGLEDFQGRP-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306783;MM306783;C#CC(F)(C#C)C(O)CF;AOSQXALGHVTHIU-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306784;MM306784;CNCC(C(=N)N)C(C)C;CTVJGSCTRNUSKB-UHFFFAOYSA-N;143.23;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306785;MM306785;C#CC(F)(C#C)C(F)CO;FPLGOZXFBFVRDS-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306786;MM306786;CNCC(C(N)=O)C(C)C;QSUFRDNMQZYTDV-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306787;MM306787;C#CC(O)(C#C)C(C)OC;UEXPWWCSJZWNCH-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306788;MM306788;C=C(F)C(CNC)C(C)C;FQBSDOVYIISXKR-UHFFFAOYSA-N;145.22;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306789;MM306789;C#CC(F)(C#C)C(C)OC;RSGOTWSYYWDRDA-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306790;MM306790;C=C(C)C(CNC)C(C)F;VMYVTGUTGJDVNO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306791;MM306791;C#CC(C)(C#C)C(C)C=O;HTCYECKAAQPFOB-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306792;MM306792;C=C(C)C(CNC)C(F)F;WLECSUGTBHTRDB-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306793;MM306793;C#CC(C)(C#C)C(O)C=O;CDZNLDQCFDLHCL-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306794;MM306794;COCC(C(N)=O)C(C)F;TYNZDXAFPWKTBL-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306795;MM306795;C#CC(O)(C#C)C(N)C=C;MVGMFFKHBXYMCC-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306796;MM306796;C=C(C)C(NCC)C(C)C;SDINVFJKXUBAIV-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306797;MM306797;C#CC(O)(C#C)C(O)C=C;FRVJTZANNFSMQV-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306798;MM306798;C=C(C)C(NCC)C(C)F;GTHUOZKBDLXBIJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306799;MM306799;C#CC(O)(C#C)C(O)C=O;KTUHOCMCNWQRLI-UHFFFAOYSA-N;138.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306800;MM306800;C=CC(C)CCNC(C)=O;ADLYHJAFHCBSAV-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306801;MM306801;C#CC(O)(C#C)C(F)C#N;GDIVKGAJBAANTB-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306802;MM306802;CCOC(C(=N)N)C(C)N;FPSAANPAHLSALZ-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306803;MM306803;C#CC(F)(C#C)C(C)C=O;DKATVCGHJDVYGR-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306804;MM306804;CCOC(C(=N)N)C(C)O;QUJDISZVRDXKFE-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306805;MM306805;C#CC(F)(C#C)C(O)C=C;FQENHKCSNWRXCE-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306806;MM306806;CCOC(C(N)=O)C(C)O;WIGMDPFCRRVLLF-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306807;MM306807;C#CC(F)(C#C)C(O)C=O;HVLGYYIEVSSVOA-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306808;MM306808;CCOC(C(=N)N)C(C)F;LAUXVSKNQBRHKO-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306809;MM306809;C#CC(C)(C#C)N(C)N=C;NIYNKZDWIVQBCF-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306810;MM306810;CCOC(C(N)=O)C(F)F;ZMNGRGJVDFVDIU-UHFFFAOYSA-N;153.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306811;MM306811;C#CC(N)C(C)(C#C)C#C;CFUSUOHQARKTOD-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306812;MM306812;C=C(C)C(CCC)N(C)C;IIMNFFCJEZZMFI-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306813;MM306813;C=C(C)C(CCO)N(C)C;QFXXKNFPXZLRQA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306814;MM306814;C#CC(C)C(O)(C#C)C#C;WLTWUULGIVPQAI-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306815;MM306815;C=C(C)C(CCF)N(C)C;YCSNSDVWUGCNJT-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306816;MM306816;C#CC(F)C(O)(C#C)C#C;DCOWVAOWZAMXEY-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306817;MM306817;COCC(C(=N)N)N(C)C;AITFGDGGYGZZNN-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306818;MM306818;C=C(CC)C(C)(CC)CC;XURKAQVPZRINIO-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306819;MM306819;CCCN(C(C)=N)C(C)C;KSHDLLHLGPIGRU-UHFFFAOYSA-N;142.25;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306820;MM306820;C=C(CC)C(C)(CC)CN;YRQHYLFKJGJJQE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306821;MM306821;CCCN(C(C)=O)C(C)C;OERRWRACNWRTGW-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306822;MM306822;C=C(CN)C(C)(CC)CN;HAIVKPMMCIKXOQ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306823;MM306823;CC(=O)N(CCN)C(C)C;XRWCEQZWTKNNRB-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306824;MM306824;C=C(CF)C(C)(CN)CF;OMDNWPKUEFMFMK-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306825;MM306825;CC(=O)N(CCF)C(C)C;CKNJHLAPILVKTG-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306826;MM306826;C=C(CN)C(C)(CF)CF;NTAYSWBCLYXSRG-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306827;MM306827;CC(=N)N(CCN)N(C)C;KZSRVBNDUOANJY-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306828;MM306828;C=C(CF)C(N)(CC)CN;OZPOBVFHXPEDPX-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306829;MM306829;CC(=N)N(CCF)N(C)C;MEDXCSYGDMIYJL-UHFFFAOYSA-N;147.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306830;MM306830;C=C(CN)C(N)(CC)CO;BPFKIVYSVRXBEW-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306831;MM306831;CC(=O)N(CCN)N(C)C;PPVMWHGRCNFTPY-UHFFFAOYSA-N;145.21;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306832;MM306832;C=C(CF)C(N)(CC)CO;GAADKEGIBKSXBY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306833;MM306833;CCCN(C(=N)N)N(C)C;FCGNFVCZYYLDGB-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306834;MM306834;C=C(CCC)CC(=O)NC;RDNZQNKRXIRFLX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306835;MM306835;C=C(CN)C(N)(CC)CF;BAGJWGZBKZRGDZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306836;MM306836;C=CCC(C)=CC(=O)NC;CACYVWSUAGAURJ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306837;MM306837;C=C(CN)C(N)(CO)CO;APHZZWUKFDGEFK-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306838;MM306838;C=C(C)C(CC=O)C(C)C;DHWPSKLWKJHQLU-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306839;MM306839;C=C(CF)C(N)(CO)CO;YFFQPRUVPVTGHM-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306840;MM306840;C=CCC(C(C)=O)C(C)C;SYSJTWZLWVJITF-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306841;MM306841;C=C(CC)C(O)(CN)CF;NVCICILWZLNICD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306842;MM306842;C=CCC(C(=N)N)C(C)C;GOJYBMSPOQRXKT-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306843;MM306843;C=C(CO)C(O)(CO)CO;VYPSKMUCWYRCPT-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306844;MM306844;CC(=CC(N)=O)C(C)=NN;VAJPVYHVVCDKBS-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306845;MM306845;C=C(CF)C(O)(CO)CO;XNZTUEWDWZJWDV-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306846;MM306846;CC(C)C(CC#N)C(N)=O;RZJWXMDAACEPRN-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306847;MM306847;CCC(O)(CO)C(=O)CF;QBJHCLUBMOGATO-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306848;MM306848;C=CCC(C(=O)O)C(C)C;ALEBWLNVINEYCZ-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306849;MM306849;CCC(O)(CF)C(=O)CO;JUBHPYUMWAYYQT-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306850;MM306850;CC(=CC(O)C(=O)O)CF;WKCUYFNCZISJFW-UHFFFAOYSA-N;148.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306851;MM306851;O=C(CO)C(O)(CO)CO;KNWXMEXZFWGIPP-UHFFFAOYSA-N;150.13;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306852;MM306852;CC(C)C(CC#N)C(=O)O;UOBJAZGZZKGCGS-UHFFFAOYSA-N;141.17;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306853;MM306853;CCC(=O)C(O)(CO)CF;AZEHXOXQRWDPRZ-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306854;MM306854;C=C(F)C(CC=O)C(C)C;UMWOTRRCCUNVIJ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306855;MM306855;C=CCC(C(=N)N)C(C)N;GFXSIUPOALLMMK-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306856;MM306856;C=C(CN)C(F)(CC)CN;KUYDLSCPIGPRQY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306857;MM306857;C=CCC(C(=C)F)C(C)N;UXRLMXRHZIEJRF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306858;MM306858;C=C(CO)C(F)(CN)CF;UOQFOXZJXQHFEL-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306859;MM306859;C=C(C)C(CC=O)C(C)O;LYEKRHNZDDFQEA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306860;MM306860;C=C(CO)C(F)(CO)CO;WZTQNUGPDCVVKT-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306861;MM306861;C=CCC(C(N)=O)C(C)O;CWPMLOOIEQCJML-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306862;MM306862;CCC(=O)C(F)(CO)CF;JMGYOPBKEJSWRL-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306863;MM306863;C=C(C)C(CC=O)C(C)F;DXXTWOPUKUKTBC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306864;MM306864;CCC(C)(CC)C(=N)NN;BNXBFZHDCNJUKH-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306865;MM306865;CC(=O)C(CC=O)C(C)F;ZPMPLLRUGJVSAG-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306866;MM306866;CCC(C)(CN)C(=N)NO;ZQMHWAFYFRMJAQ-UHFFFAOYSA-N;145.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306867;MM306867;C=CCC(C(=N)N)C(C)F;IPEAYEVDKATESN-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306868;MM306868;CC(CO)(CO)C(=N)NN;LKVQPOXUUVIMJX-UHFFFAOYSA-N;147.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306869;MM306869;CC(F)C(CC=O)C(N)=O;LCGCBCPASXXOHS-UHFFFAOYSA-N;147.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306870;MM306870;CC(CO)(CO)C(=N)NO;VJSXKLWDIHIIRP-UHFFFAOYSA-N;148.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306871;MM306871;C=CCC(C(=O)O)C(C)F;CHCYOYFDKJRWHB-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306872;MM306872;C=C(F)C(CC=O)C(C)F;DRQRWFFPOQDOHP-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306873;MM306873;CC(CF)(CF)C(=N)NO;YJZABQZQLHMKEU-UHFFFAOYSA-N;152.14;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306874;MM306874;C=CCC(C(=C)C)C(F)F;NPPBGBHODFMKPR-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306875;MM306875;C=CC(O)CC=CCCO;DGSTZBDHAYXYMZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306876;MM306876;C=C(C)C(CC=O)C(F)F;SBOZGXWKWWUHLI-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306877;MM306877;CCC(C)(CC)C(=O)NO;NMMDITILRYCODP-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306878;MM306878;N#CCC(C(N)=O)C(F)F;DYYUMGSWYDAHFC-UHFFFAOYSA-N;148.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306879;MM306879;CCC(C)(CN)C(=O)NC;KJTVPGRUUYXSHI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306880;MM306880;O=c1nc(CF)[nH]o1;IIWSMHLSCZTHOE-UHFFFAOYSA-N;118.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306881;MM306881;NN(C=O)CC=CCCO;DIAWVRYTUWGOGI-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306882;MM306882;C=CCC(C(=C)F)C(F)F;YPPLWTXDYULKCE-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306883;MM306883;CC(CO)(CO)C(=O)NO;XCGCSFNOOUYITC-UHFFFAOYSA-N;149.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306884;MM306884;C=C(C)C(NC=N)C(C)C;TUSKHLMQXQZZNH-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306885;MM306885;CCC(N)(CC)C(=N)NO;OVYKGVDNDSXNHH-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306886;MM306886;CCC(CC(N)=O)C(C)F;UYAVANYEFOBJNI-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306887;MM306887;CCC(N)(CF)C(=N)NC;RTNOJESZMGRHKL-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306888;MM306888;C=COCCC(O)C(=O)O;GGXRWPXOKCOMPX-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306889;MM306889;N=C(NN)C(O)(CO)CO;FEQDLPCBCCWNOF-UHFFFAOYSA-N;149.15;-2.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306890;MM306890;C=C(F)C(NC=N)C(C)C;YRJPEEUKANULBF-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306891;MM306891;CNC(=N)C(O)(CO)CF;TXOVAEFXFPXJKB-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306892;MM306892;C=C(F)C(NC=O)C(C)C;IDIZHGPFFHMSQP-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306893;MM306893;C=C(C)C(NC=N)C(C)N;ZSUGHNQNOMIHSG-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306894;MM306894;N=C(NN)C(O)(CO)CF;JQHYVNKIBGGDJO-UHFFFAOYSA-N;151.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306895;MM306895;C=C(C)C(NC=N)C(C)O;BAQNUQQMLYGCKR-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306896;MM306896;CCC(O)(CO)C(=O)NC;DDHREYCKMZGXSI-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306897;MM306897;COc1noc(O)n1;ZPJYVEAFVANJEI-UHFFFAOYSA-N;116.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306898;MM306898;CNC(=O)C(O)(CO)CF;AFOOILPKRHZDJY-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306899;MM306899;C=C(F)C(NC=N)C(C)O;RXTXYMULFDUIDY-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306900;MM306900;O=C(NO)C(O)(CO)CF;AYHRGSGEWPOXNG-UHFFFAOYSA-N;153.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306901;MM306901;C=C(F)C(NC=O)C(C)O;ROAQGQMNXULCSC-UHFFFAOYSA-N;147.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306902;MM306902;C=NN(C)CC=CCCO;QIEZAMAFJVBCAE-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306903;MM306903;CC(C)C(O)(CO)C(=O)O;ROAKAXZHJGJLIP-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306904;MM306904;C=C(OC)C(C)(CN)CF;UFWBKXLIMGHBEY-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306905;MM306905;N=CNC(C(=N)N)C(F)F;QZSSZVXDVRPMAD-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306906;MM306906;COC(=O)C(C)(CO)CF;DNDPGMBQJNQDAX-UHFFFAOYSA-N;150.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306907;MM306907;N=C(N)C(NC=O)C(F)F;MASLSQSPBXIJNN-UHFFFAOYSA-N;151.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306908;MM306908;COC(=O)C(C)(CF)CF;IFFNDNZRDKTJEH-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306909;MM306909;N=CNC(C(N)=O)C(F)F;YNDHPSIRSMWUAD-UHFFFAOYSA-N;151.12;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306910;MM306910;C=C(OC)C(N)(CC)CN;MFIDNOJRNUXIFU-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306911;MM306911;NC(=O)C(NC=O)C(F)F;CENPCXUZDBNCQX-UHFFFAOYSA-N;152.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306912;MM306912;C=NNC(C(=N)N)C(C)C;ARDPKZKFERGVLG-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306913;MM306913;C=C(OC)C(O)(CO)CO;OZSLZUXFNFMZFO-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306914;MM306914;COC(=CC(N)=O)C(C)C;UWIVHZZDKMYVHD-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306915;MM306915;CCC(O)(CC)C(=O)OC;DOWQIXLLOPHPRO-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306916;MM306916;C=COC(C(=N)N)C(C)N;HRDSEDMLBRFKRG-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306917;MM306917;CCC(O)(CO)C(=O)OC;CHLQZKWNKFDQOT-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306918;MM306918;C=COC(C(N)=O)C(C)N;KBZHDYWWTYJDPE-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306919;MM306919;COC(=O)C(O)(CO)CO;YGZVGDZRLGWPQB-UHFFFAOYSA-N;150.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306920;MM306920;C=C(F)C(OC=O)C(C)N;MOMGHOJOYNRSTJ-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306921;MM306921;C=C(CN)C(C)(CC)NC;WWPUJQZVBVYHAP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306922;MM306922;C=COC(C(=N)N)C(C)O;WJOOQVNPNNECOH-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306923;MM306923;C=C(CF)C(C)(CN)NC;VRUKRBBVVLTECQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306924;MM306924;CC(F)C(OC=O)C(=N)N;FYTKHOAOICEHNX-UHFFFAOYSA-N;148.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306925;MM306925;C=C(CN)C(C)(CF)NC;YQOGTMLGIQHOGV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306926;MM306926;C=COC(C(N)=O)C(C)F;VMIADBZOYBSDSH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306927;MM306927;CCC(C)(NC)C(=N)NN;KSTSHZUQHMYFMN-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306928;MM306928;C=CCCCCNC(C)=O;XDYNPXNYXKIWKP-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306929;MM306929;CCC(C)(NC)C(=N)NO;RJNASYGNUDEBPM-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306930;MM306930;C=CC(O)CC(O)C(=O)O;ZDALKXWKNOYXDF-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306931;MM306931;CNC(C)(CO)C(=N)NN;DVUZFSOMMZJWJS-UHFFFAOYSA-N;146.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306932;MM306932;C=NOC(C(=C)C)C(C)N;GJBISCIRUZLOLL-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306933;MM306933;COC(C)(CO)C(=O)CO;PMVJNQCSJXHGPQ-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306934;MM306934;C=NOC(C(=N)N)C(C)O;DDKWHYXQRXSTMI-UHFFFAOYSA-N;145.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306935;MM306935;OCc1onc(O)c1O;PKHMCUFFKWGUEV-UHFFFAOYSA-N;131.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306936;MM306936;CCC(C)(OC)C(=N)NN;XVIHUOQOBHMPQW-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306937;MM306937;CC#Cc1noc(O)n1;DTHFKTLPERXBGX-UHFFFAOYSA-N;124.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306938;MM306938;CNC(=N)C(C)(CN)OC;SOAOWTCLRCVHFQ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306939;MM306939;C=CCC(C(=C)C)N(C)C;OGCAUXUQDABNIF-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306940;MM306940;COC(=O)C(C)(CN)OC;ARPBEDKIHHHWNL-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306941;MM306941;C=C(C)C(CC=O)N(C)C;SJAGGYDWSGVPAU-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306942;MM306942;C=C(CN)C(C)(OC)OC;XCGFXEMRUXAOQK-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306943;MM306943;C=C(CCO)C(C)C(N)=O;QRKAJMKSRYUSQP-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306944;MM306944;C=C(CF)C(C)(OC)OC;BUQMCAJCWCJJRY-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306945;MM306945;C#CCC(C)=C(C)C(N)=O;ZHWUCJIYRNIJFV-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306946;MM306946;CCC(=O)C(C)(OC)OC;DIRRGUVVCDSHAI-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306947;MM306947;CC(=N)N(CC=O)C(C)C;ZJODDGACGXOWNI-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306948;MM306948;COC(C)(OC)C(=O)CO;OITDCVAEQSEBLM-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306949;MM306949;C=CCN(C(C)=O)C(C)C;WWRGSYIINZQXLQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306950;MM306950;C=C(OC)C(C)(OC)OC;NMVKBXGRCPBQBO-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306951;MM306951;CCC(C)=CCC(=O)NC;HRXSLTFNMIPQQC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306952;MM306952;C=CC(=C)C(C)(CN)CF;PEOOAZMTAMGMSH-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306953;MM306953;C#CC(C)NC(C#N)C=O;ADGAVSGURVGRHO-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306954;MM306954;C=CC(=C)C(C)(CF)CF;WVYBKTJMBNBZPA-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306955;MM306955;CC=C(CC)CC(=O)NC;UZGOAIJUMZSKKF-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306956;MM306956;C=CC(=O)C(C)(CO)CO;GFCVKPGUZTVZBG-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306957;MM306957;C#CCC(C(=N)N)C(C)C;BDHNRFZMVYXWJU-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306958;MM306958;C#CCC(C(=O)O)C(C)C;WEEGRLOOBMBZEY-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306959;MM306959;CC(CO)(CO)C(=O)C#N;XLYUMLOVYMYJQT-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306960;MM306960;C#CCC(C(C)=O)C(C)O;AFTHRTFLPHBFMO-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306961;MM306961;C=CC(=C)C(N)(CN)CF;LMZPJCUALSXRFJ-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306962;MM306962;C#CCN(C(C)=N)C(C)C;BPFIDTOIVBEQGP-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306963;MM306963;O=CC(=O)C(O)(CO)CO;DUEDDDYTTVKSHS-UHFFFAOYSA-N;148.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306964;MM306964;C#CCN(C(C)=O)C(C)C;LGOUFHQEOAXUPR-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306965;MM306965;N#CC(=O)C(O)(CO)CO;KGPISMHICLEOTO-UHFFFAOYSA-N;145.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306966;MM306966;C#CCN(C(N)=O)C(C)C;JYMLQNGELGZRSB-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306967;MM306967;N#CC(=O)C(O)(CO)CF;UAACZVLBUMNNBJ-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306968;MM306968;CC=CC(=CC)CNC=O;NYKPLOQDIPKTFW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306969;MM306969;C=CC(=C)C(F)(CO)CO;AJPUEGLOKFFCOE-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306970;MM306970;C=C(C)C(CCF)C(C)=O;UNNYOULAQLJQJW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306971;MM306971;CCC(F)(CC)C(=O)C#N;ASYAJTNLPQXLHX-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306972;MM306972;C=C(C)C(CCC)C(=N)N;COKXKASIIKVRSA-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306973;MM306973;C=CC(=C)C(C)(CC)NC;WNGNIOPTSRGQAX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306974;MM306974;C=C(C)C(CCN)C(=N)N;WGJTXJGLNGNELT-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306975;MM306975;CC(CC=CCCO)=NN;ZVURVBCOAFOXND-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306976;MM306976;C=CC(=CCC)CNC=O;XSVOLCKSPKDCTR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306977;MM306977;C=C(C#N)C(C)(CO)OC;UGRVQJLMWAZKMW-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306978;MM306978;C=C(C)C(CCN)C(N)=O;DVVQUIZZUQSZFE-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306979;MM306979;C#CC(=C)C(C)(CN)CO;WNINIPHBKXRRCC-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306980;MM306980;C=C(C)C(CCC)C(=O)O;WPONEJMOSMFKPX-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306981;MM306981;C=C(C)C(CCF)C(=O)O;IKHPRBFBRUFTPR-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306982;MM306982;C#CC(=C)C(C)(CN)CF;ITMQXYZAASKOPR-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306983;MM306983;C=C(C)C(CCF)C(=C)F;BIFKIJPHDQCWNR-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306984;MM306984;C#CC(=O)C(C)(CO)CO;WFFFPLAMJATVLC-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306985;MM306985;C=C(F)C(CCN)C(=N)N;NWYNAAANSGGKNR-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306986;MM306986;C#CC(=C)C(N)(CC)CO;GLUSPWFVYVDEGA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306987;MM306987;CCCC(C(N)=O)C(N)=O;OOLKYZNITCOUFL-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306988;MM306988;C#CC(=C)C(N)(CO)CO;SDOVUXLHDQFTNY-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306989;MM306989;N#CC(COC1CC1)=NO;VBPKOOAOUNOLFB-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306990;MM306990;C#CC(=C)C(O)(CC)CN;CVDPRALCRRQBMJ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306991;MM306991;CCCC(C(=O)O)C(=O)O;VQDJODAWOFNASI-UHFFFAOYSA-N;146.14;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306992;MM306992;C#CC(=O)C(O)(CO)CO;KGAOXZLAHLVHQT-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306993;MM306993;C=C(F)C(CCC)C(=O)O;BEJIQIRQPIAQAI-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306994;MM306994;C#CC(=O)C(O)(CF)CF;HNSGEHSFYYRQGJ-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306995;MM306995;C=C(F)C(CCN)C(=C)F;MJDNLHRGSBMRRO-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306996;MM306996;C#CC(=O)C(F)(CO)CF;RJBSPJZEHOBSNY-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306997;MM306997;C=C(F)C(CCF)C(=C)F;SNRPEJATWSUMCE-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306998;MM306998;C#CC(=C)C(C)(CC)NC;WQPCAAQTCWILBO-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM306999;MM306999;C=C(C)C(CNC)C(=C)C;QSLZHYGSJMLKAE-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307000;MM307000;C#CC(=C)C(C)(CO)OC;NEGCGQLDRLCVPP-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307001;MM307001;C=C(C)C(CNC)C(=N)N;FUWRGIBJWXFYOD-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307002;MM307002;C#CC(=C)C(C)(OC)OC;YMAXOVVYFGBBDO-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307003;MM307003;C=C(C)C(CNC)C(N)=O;GOKZQPZMJQWCRF-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307004;MM307004;C=C(C)C(CNC)C(=C)F;VWIHGCMGDZXAHT-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307005;MM307005;CC1(CO)CC1CCCO;XOBPKKYEFLGHOF-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307006;MM307006;CNCC(C(C)=O)C(N)=O;GUBIYWMEDZFGQV-UHFFFAOYSA-N;144.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307007;MM307007;CCC1(O)CC1CCCO;VOBZNMNRPJSWLF-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307008;MM307008;C=C(F)C(CNC)C(=C)F;FKNUOFIVXJHIQW-UHFFFAOYSA-N;147.17;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307009;MM307009;C=C(CC)C(C)(C=O)CF;QOAWAEADGRNOSL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307010;MM307010;C=C(C)C(COC)C(=N)N;XDIOFTXGGYPCTB-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307011;MM307011;CC(C#N)(CO)C(=O)CO;XWUMTBQPUKQWCH-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307012;MM307012;COCC(C(=N)N)C(=N)N;MMRAXZSHWWINRV-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307013;MM307013;CC(C=O)(CF)C(=O)CO;YOAFEMXYUUHEKP-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307014;MM307014;COCC(C(=N)N)C(N)=O;RABOWTHGWKCKLL-UHFFFAOYSA-N;145.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307015;MM307015;CC(C#N)(CF)C(=O)CO;SRRBQQCROOLOHG-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307016;MM307016;C=C(C)C(NCC)C(=C)C;JMMWTWDYSVCBAL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307017;MM307017;C=CC(N)(CC)C(=C)CO;TWQYNAVZJUBTSE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307018;MM307018;CCNC(C(=N)N)C(=N)N;HIEQOZWOACGWOX-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307019;MM307019;C=CC(N)(CO)C(=C)CC;YMQOHDCZEHQDPU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307020;MM307020;CCNC(C(=N)N)C(N)=O;QKIUELQMKQKUBT-UHFFFAOYSA-N;144.18;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307021;MM307021;C=C(CO)C(O)(C#N)CC;CJJNOGCHOYBADQ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307022;MM307022;C=C(F)C(NCC)C(=N)N;DRMQJXGQUOVYFV-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307023;MM307023;C=CC(O)(CN)C(=C)CC;QVJGSEAQPBXQMC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307024;MM307024;C=C(F)C(OCC)C(=N)N;BTCQHBLYMYWRPC-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307025;MM307025;C=CC(O)(CN)C(=C)CF;IOFPTFHQVQQDEX-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307026;MM307026;N#Cc1cc(O)n(O)n1;BBDPVMYGKVOTFX-UHFFFAOYSA-N;125.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307027;MM307027;C=C(F)C(OCC)C(N)=O;YZXOGEJXBIEHNV-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307028;MM307028;C=C(CO)C(O)(C#N)CO;MEZFCWPJHGMQPJ-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307029;MM307029;C=C(C)N(CCC)C(C)=N;ZTXQPAMVBPHCAO-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307030;MM307030;C=CC(O)(CF)C(=C)CN;FGTCRNZHPJHAHJ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307031;MM307031;C=C(C)N(CCN)C(C)=N;KXXDHJCENOTFTM-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307032;MM307032;C=C(CO)C(O)(C#N)CF;VMIFOGBLFRZKAR-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307033;MM307033;C=C(C)N(CCC)C(C)=O;RMBBJSTUIKOCCA-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307034;MM307034;C=CC(O)(CC)C(=O)CF;OGJVWUVSPXKTEX-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307035;MM307035;C=C(C)N(CCN)C(C)=O;QEPWHYFVYHRLHS-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307036;MM307036;C=CC(O)(CO)C(=O)CC;KMOCIEJHMUWPNE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307037;MM307037;C=C(C)N(CCF)C(C)=O;SIHNONYYLLGOPL-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307038;MM307038;N#CC(O)(CO)C(=O)CO;BJIFHXUKIQRAOL-UHFFFAOYSA-N;145.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307039;MM307039;C=C(C)N(CCC)C(N)=O;SDDJDDITPAVWOX-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307040;MM307040;C=C(CO)C(F)(C#N)CO;HHPCKJUIRHPMPL-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307041;MM307041;C=C(C)N(CCF)C(N)=O;CHZQDNFKNIUZJJ-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307042;MM307042;C=CC(F)(CF)C(=O)CO;YSOOGPGGAIAJMS-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307043;MM307043;CCCN(C(C)=N)C(C)=N;KTWOWKCKFMEYRD-UHFFFAOYSA-N;141.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307044;MM307044;C=CC(C)(CC)C(=O)NO;DMUACYPZYRMQOY-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307045;MM307045;CCCN(C(C)=N)C(C)=O;UVYKVVCPULPYBG-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307046;MM307046;CNC(=O)C(C)(C=O)CO;JWUDJWOONFJCHH-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307047;MM307047;CCCN(C(C)=O)C(C)=O;VZJZGMRFZOEBAC-UHFFFAOYSA-N;143.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307048;MM307048;CNC(=O)C(C)(C=O)CF;ZIKQWORBKVQBFP-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307049;MM307049;CC(=O)N(CCF)C(C)=O;MMWRTRVZXFTNDA-UHFFFAOYSA-N;147.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307050;MM307050;C=CC(N)(CO)C(=N)NC;RPBLMSNACJAWCF-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307051;MM307051;CCCN(C(C)=O)C(N)=O;VVLQQEMBUNVOJJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307052;MM307052;C=CC(O)(CC)C(=N)NN;HODWSHGGAAQCEB-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307053;MM307053;N=C(N)N(CCN)C(=N)N;JWZYMUNUMNCZJW-UHFFFAOYSA-N;144.18;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307054;MM307054;CCC(O)(C#N)C(=N)NC;HCNFQARLBCXMGP-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307055;MM307055;N=C(N)N(CCO)C(=N)N;KXLDNTZSVSISCK-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307056;MM307056;C=CC(O)(CO)C(=N)NN;RDOFDUCWOIIAAK-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307057;MM307057;N=C(N)N(CCN)C(N)=O;CDJYYDBKGBADEZ-UHFFFAOYSA-N;145.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307058;MM307058;CN=C(N)C(O)(C=O)CO;XJLCFIGATVEEKR-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307059;MM307059;N=C(N)N(CCF)C(N)=O;WZTBSEXYMMUVMU-UHFFFAOYSA-N;148.14;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307060;MM307060;C=CC1(O)CC1CCCO;FPHVLESHQNVNFD-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307061;MM307061;CCCN(C(N)=O)C(N)=O;NFGCVJWNFGNNQW-UHFFFAOYSA-N;145.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307062;MM307062;C=CC(O)(CC)C(=O)NO;FTNJNVHLAVKOIF-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307063;MM307063;NCCN(C(N)=O)C(N)=O;YTFXNXRFMPJXFV-UHFFFAOYSA-N;146.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307064;MM307064;C=CC(O)(CO)C(=O)NC;DHCBJRNYUWGFRI-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307065;MM307065;NC(=O)N(CCF)C(N)=O;OKEIDBXSDAHNFG-UHFFFAOYSA-N;149.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307066;MM307066;CNC(=O)C(O)(C#N)CO;JZVCEBIYDBKBKU-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307067;MM307067;C=C(C)N(NCC)C(=N)N;JJRXHNMZCLNWIP-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307068;MM307068;CNC(=O)C(O)(C=O)CF;BFOYWQIRHPSTTM-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307069;MM307069;CCNN(C(C)=N)C(C)=N;ADMFCXAMMRDYOK-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307070;MM307070;CC(CCCO)C1(O)CC1;YGNQCJFGNQLJFA-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307071;MM307071;CCNN(C(=N)N)C(C)=O;JLSNEOJKYIPLEN-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307072;MM307072;C#CCN(C=O)CC(=O)O;AMJHUDRKRWQWCN-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307073;MM307073;CCC(CC=O)=NN=CN;GCNIZMKNCHXSBY-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307074;MM307074;C=CC(F)(CC)C(=O)NO;BLGUKCYGLMIJLW-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307075;MM307075;C=C(C)N(OCC)C(C)=N;BHTIFSWMIYLFKJ-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307076;MM307076;CCC(F)(C#N)C(=O)NC;GPPVWWQVLOIIHN-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307077;MM307077;CCON(C(C)=O)C(N)=O;AGESDSBTIKGHEV-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307078;MM307078;CCC(F)(C#N)C(=O)NO;SAJVFNYZWDJRFY-UHFFFAOYSA-N;146.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307079;MM307079;C=C(C)C(CC=O)C(C)=O;VGWGSMQLILKKFK-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307080;MM307080;CNC(=O)C(F)(C=O)CO;ZZYSHRQHMAUGIA-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307081;MM307081;C=CCC(C(=C)C)C(=N)N;TXUSZHLULYXVCP-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307082;MM307082;O=CC(F)(CO)C(=O)NO;DHWKYWBVWKZDDM-UHFFFAOYSA-N;151.09;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307083;MM307083;CCC(C)N(CC)C(N)=O;YWPPASCPYKNAJF-UHFFFAOYSA-N;144.22;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307084;MM307084;C=CC(C)(CN)C(=O)OC;FIQOVSGRXHLJSC-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307085;MM307085;C=CCC(C(=C)C)C(=O)O;VEUPTSONTQEDDN-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307086;MM307086;C=CC(N)(CF)C(=O)OC;QDWMRTRIYRTGCY-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307087;MM307087;CC(O)CC(=NN)C(=O)O;MRDHVYKMSSGPLD-UHFFFAOYSA-N;146.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307088;MM307088;C=CC(O)(CC)C(=O)OC;NZYUXLFEYORYLK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307089;MM307089;C=C(C)C(CC=O)C(=C)F;XCTYSKQTGMAZOJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307090;MM307090;CCC(O)(C=O)C(=O)OC;IVJJWNXCYJXUAJ-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307091;MM307091;CC(=O)C(CC#N)C(C)=O;PVKHLDHESYJFSL-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307092;MM307092;C=CC(F)(CO)C(=C)OC;JQJDGUZBZPIBIB-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307093;MM307093;C=C(F)C(CC=O)C(C)=O;UUMQEUXBSPBRDV-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307094;MM307094;C=CC(C)(NC)C(=C)CC;QDOFCHWKQMYPRZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307095;MM307095;N#CCC(C(=N)N)C(N)=O;BZNDPYSTNFEDEG-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307096;MM307096;C=CC(C)(NC)C(=C)CN;UWLNRPLZJALKPA-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307097;MM307097;C=CCC(C(=C)F)C(=N)N;RHFHABNHGBUONX-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307098;MM307098;C#CCC(CO)CCCO;CSJSYJHNPIXSTP-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307099;MM307099;C=C(F)C(CC#N)C(=N)N;QCOYTFNUWDOROY-UHFFFAOYSA-N;141.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307100;MM307100;CNN=C(OC)OCC=O;PQQNZGBDWXSGDX-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307101;MM307101;N#CCC(C(N)=O)C(N)=O;KMLZAKPHABEDAL-UHFFFAOYSA-N;141.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307102;MM307102;CNC(C)(C#N)C(=O)NO;XSKMWVXZANIBGN-UHFFFAOYSA-N;143.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307103;MM307103;N#CCC(=NO)C(F)CO;UXGPHIMDORJESC-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307104;MM307104;CNC(C)(C=O)C(=O)OC;QIQDDKDJGCRUOI-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307105;MM307105;C=C(F)C(CC=O)C(=C)F;YFRUEJZIGLDNPB-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307106;MM307106;CNC(C)(C#N)C(=O)OC;GYGKIMREOXVBCX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307107;MM307107;C=C(C)C(NC=N)C(=C)C;PDLTVBWKLRZBRB-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307108;MM307108;C=C(CC)C(C)(C#N)OC;ZPWZSVTZFLOXKL-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307109;MM307109;N#CC(C=O)NCCC=O;LBVKUOCGWVCFDY-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307110;MM307110;CCC(=O)C(C)(C=O)OC;BUSBTCONGXSWPX-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307111;MM307111;N=CNC(C(=N)N)C(=N)N;XLTULHQGWQFVPV-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307112;MM307112;CCC(=O)C(C)(C#N)OC;MXYLHCKROBEVTM-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307113;MM307113;N=C(N)C(NC=O)C(=N)N;VBIQGWQYBZVPGF-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307114;MM307114;COC(C)(C=O)C(=O)CO;CSFIPWJIYZPLCU-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307115;MM307115;N=CNC(C(=N)N)C(N)=O;OJZLJFMYUOZIIO-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307116;MM307116;COC(C)(C#N)C(=O)CO;IDUOSRJOQNJPMV-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307117;MM307117;C=NNC(C(=N)N)C(=N)N;RBGVJNYMCIZUBK-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307118;MM307118;C=CC(C)(OC)C(=N)NC;UEDDMNNDKSJYJC-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307119;MM307119;C=NNC(C(=N)N)C(N)=O;XBLGBWQSBVNUDO-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307120;MM307120;COC(C)(C=O)C(=O)NO;HFPIREZBOGOTFE-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307121;MM307121;C=COC(C(=C)C)C(=N)N;IRPUFRASNOWGHZ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307122;MM307122;C=C(OC)C(C)(C=O)OC;HCYVMTXRMKKHLG-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307123;MM307123;C=C(C)C(OC=O)C(=N)N;DUUPUMCLDYTMFQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307124;MM307124;C=C(OC)C(C)(C#N)OC;LKHIGZLZOPBKAS-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307125;MM307125;C=COC(C(C)=O)C(N)=O;IWBXLBZISYKKGG-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307126;MM307126;C=C(C#N)C(C)(C=O)CC;AEUFLAJQYAIPFD-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307127;MM307127;N=C(N)C(OC=O)C(=N)N;ZVJNQJCKVZIPFE-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307128;MM307128;C=CC(C)(CC)C(=O)C#N;YBRWOXHLAZWLRV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307129;MM307129;C=COC(C(=C)F)C(=N)N;QVLTZCXBANVVAZ-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307130;MM307130;CCC(C)(C#N)C(=O)C#N;XXVWYYLRUMGADN-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307131;MM307131;NC(=O)C(OC=O)C(N)=O;BJSVIMYQWNYLJG-UHFFFAOYSA-N;146.1;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307132;MM307132;C=CC(=O)C(C)(C=O)CO;IKCNZBZYVRUZCG-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307133;MM307133;C=COC(C(=C)F)C(N)=O;LRQMVHSPEIKYTE-UHFFFAOYSA-N;145.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307134;MM307134;C=CC(=O)C(C)(C#N)CO;MNSBLISMXSPSDF-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307135;MM307135;C=C(F)C(OC=O)C(N)=O;FRTPQWYLGCPIHK-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307136;MM307136;CC(C#N)(CO)C(=O)C=O;PFGHUHGWOJIENB-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307137;MM307137;O=CNNCC(=O)O;NUKTXOKSDYBHSZ-UHFFFAOYSA-N;118.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307138;MM307138;CC(C=O)(CF)C(=O)C=O;TUGAECXMLDXQSE-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307139;MM307139;C=CC1(CCNC=O)CC1;VVORRFGZWLDJDK-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307140;MM307140;C=CC(=C)C(N)(C=C)CN;OHGFUPIJAPBLQY-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307141;MM307141;C#CC(=C)C1NC1CC=O;CKOAAFURICCRRO-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307142;MM307142;C=CC(=C)C(O)(C=C)CO;XZZIWLZSLABPSF-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307143;MM307143;NN=c1cn[nH]c(=NN)o1;OKAWSBNDRQRXBE-UHFFFAOYSA-N;142.12;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307144;MM307144;C=CC(O)(CO)C(=C)C=O;CGPXWLGYMXPGMD-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307145;MM307145;C=NOC(C(=C)F)C(N)=O;VHRAJUFWBQTAPC-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307146;MM307146;C=C(C#N)C(O)(C=O)CO;STBREKYHORAJHS-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307147;MM307147;C=CCN(C(=C)C)C(C)=N;OZVOIWRDENFWDF-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307148;MM307148;C=CC(O)(CF)C(=C)C#N;GMSBKUDOVHWGJY-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307149;MM307149;C=C(C)N(CC=O)C(N)=O;FKKKNIHCMLLNOJ-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307150;MM307150;C=CC(O)(CC)C(=O)C#N;HTIPBPLMAGBOGK-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307151;MM307151;CC(=N)N(CC#N)C(C)=O;DWEYMZNMVSOBKR-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307152;MM307152;C=CC(=O)C(O)(C=O)CC;VESHITPZMKMXKY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307153;MM307153;C=CCN(C(C)=O)C(C)=O;GKPRJVBYMIZLGG-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307154;MM307154;C=CC(=O)C(O)(C#N)CC;RLGYZRPPORILNV-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307155;MM307155;CC(=O)N(CC#N)C(N)=O;GOJVHXCVVDSFOL-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307156;MM307156;C=CC(O)(CO)C(=O)C#N;GVCALQQNKLATBV-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307157;MM307157;N=C(N)N(CC=O)C(=N)N;OIIRVBBOEFYHCY-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307158;MM307158;O=CC(=O)C(O)(C=O)CF;XUJURKYOJOXWAN-UHFFFAOYSA-N;148.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307159;MM307159;NC(=O)N(CC=O)C(N)=O;VDPSHJFGVMRCDT-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307160;MM307160;N#CC(O)(CF)C(=O)C=O;DRLIMLVILUEDFD-UHFFFAOYSA-N;145.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307161;MM307161;C=C(C)N(NC=N)C(C)=N;QBMSCUALOPCPKJ-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307162;MM307162;C=CC(F)(CO)C(=O)C#N;QKEFTHHNTOGETO-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307163;MM307163;CC(=N)N(NC=N)C(=N)N;QUSLYBVLEUKTCN-UHFFFAOYSA-N;142.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307164;MM307164;C=CC(=O)C(F)(C=O)CO;SGOBWJDLLWXUPI-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307165;MM307165;CC(=N)N(NC=O)C(=N)N;GBAMUTHMGPCERN-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307166;MM307166;N#CC(F)(CO)C(=O)C=O;GEYKEQPTVVRSEJ-UHFFFAOYSA-N;145.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307167;MM307167;CC(=N)N(NC=N)C(N)=O;AZKZMUTXXQNOIW-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307168;MM307168;C=CC(F)(CF)C(=O)C=O;OPGPVSWBRWWBNE-UHFFFAOYSA-N;148.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307169;MM307169;CCCCC=NOCC=O;NMXHTPHPEOZBBR-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307170;MM307170;C=C(C#N)C(C)(C#N)NC;SAOJVQVXUZTPJI-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307171;MM307171;N=CNN(C(=N)N)C(=N)N;DMUDKNHYCCLJOA-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307172;MM307172;C=CC(C)(NC)C(=O)C#N;BACJTMAAPCNNDT-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307173;MM307173;N=C(N)N(NC=O)C(=N)N;OLMGNAPSFSLCPM-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307174;MM307174;CNC(C)(C=O)C(=O)C=O;LTHPRGCWVXMFFZ-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307175;MM307175;N=CNN(C(=N)N)C(N)=O;WNZINZONCGBRLU-UHFFFAOYSA-N;144.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307176;MM307176;CNC(C)(C#N)C(=O)C=O;KNUAQNFFQBZITB-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307177;MM307177;NC(=O)N(NC=O)C(N)=O;LFMZJPZHQNVXAD-UHFFFAOYSA-N;146.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307178;MM307178;CNC(C)(C#N)C(=O)C#N;NOHYZPQRJQTZOG-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307179;MM307179;CC(=N)N(OC=O)C(=N)N;ICDKCYNIEBDKFT-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307180;MM307180;C#CC(=O)C(C)(C#N)CC;BDUKEOHATJTXOE-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307181;MM307181;O=CCON=CCCCF;ZEMMIWCHXRUKMB-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307182;MM307182;C#CC(=C)C(O)(C=O)CC;UYPODDRYGYTKIG-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307183;MM307183;N=C(N)N(OC=O)C(=N)N;PSZBKTXLLGUZDM-UHFFFAOYSA-N;145.12;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307184;MM307184;C#CCC(C(=C)C)C(N)=O;UYQMYJSBEXCYQP-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307185;MM307185;C#CC(=C)C(O)(C=C)CN;BISYXDPUJFRHHQ-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307186;MM307186;C#CCC(C(=C)C)C(=O)O;MBNHAWGKTNGZBL-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307187;MM307187;C#CC(=C)C(O)(C=O)CO;PPOALWLEOLWXQY-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307188;MM307188;C#CCC(C(=N)N)C(=N)N;FENJYCKUDZFCIA-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307189;MM307189;C#CC(=C)C(O)(C#N)CO;IXKCARHPUFADHP-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307190;MM307190;C#CCN(C(=C)C)C(C)=N;PVKGAHKQTUULRL-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307191;MM307191;C#CC(=C)C(O)(C=C)CF;QVZLXRGPUHZRDR-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307192;MM307192;C#CCN(C(=C)C)C(C)=O;SMPXJPFVNZOZFJ-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307193;MM307193;C#CC(=O)C(O)(C=C)CC;WPVYZJXIRWREKM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307194;MM307194;C#CCN(C(=C)C)C(N)=O;YPCPKVOTIPLRLS-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307195;MM307195;C#CC(=O)C(O)(C=C)CO;FKZCKGZKJQTWOL-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307196;MM307196;C#CCN(C(C)=O)C(C)=O;YXINTNZBEGOUPJ-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307197;MM307197;C#CC(=O)C(O)(C#N)CF;XXNYASABGZYSFX-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307198;MM307198;C#CCN(C(=N)N)C(=N)N;NQAXMNDYFHGNDR-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307199;MM307199;C#CC(=C)C(C)(C=C)NC;UIFLCAALESRNIO-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307200;MM307200;C#CCN(C(=N)N)C(N)=O;ARPPSBFONGYRPH-UHFFFAOYSA-N;140.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307201;MM307201;C#CC(=C)C(C)(C#N)OC;QJCYAZCXUVTTBJ-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307202;MM307202;C#CCN(C(N)=O)C(N)=O;KCSLHDNROGKEQY-UHFFFAOYSA-N;141.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307203;MM307203;C#CC(C)(CO)C(=C)CN;HCJFCOLRWQRDSY-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307204;MM307204;CC(C)C(C=CF)C(C)N;HQMVHUDIYXPHFO-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307205;MM307205;C#CC(N)(CC)C(=C)CN;LPNHCBJJKFRULF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307206;MM307206;CC(C)C(C=CF)C(C)O;HLMAZIYJQYCGBP-UHFFFAOYSA-N;146.21;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307207;MM307207;C#CC(O)(CC)C(=O)CC;BJJKFIMBSPQOFS-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307208;MM307208;CC(C)C(C=CF)C(C)F;OXTZPOZIRNQNCI-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307209;MM307209;C#CC(O)(CC)C(=O)CF;YLOOPDSPNAVBSN-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307210;MM307210;CC(C)C(C=CF)C(F)F;JRKFNTTVJGSIAB-UHFFFAOYSA-N;152.16;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307211;MM307211;C#CC(O)(CO)C(=O)CO;NAOHKGMWNXVSDB-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307212;MM307212;CC=CC(C(C)N)C(C)F;RYTMIURIMNCWIK-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307213;MM307213;C#CC(O)(CO)C(=O)CF;HJXCNRIAUGLYPO-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307214;MM307214;CC(N)C(C=CF)C(C)F;JYKOAEFMJRNPKS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307215;MM307215;C#CC(O)(CF)C(=O)CF;ZDCGWQXCZDDADK-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307216;MM307216;CC=CC(C(C)O)C(C)O;HOVWJLGRMWPONF-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307217;MM307217;C#CC(F)(CO)C(=O)CO;MBWJPVHOSASEQJ-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307218;MM307218;CC(O)C(C=CF)C(C)F;FFPJQKRYJVJZNM-UHFFFAOYSA-N;150.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307219;MM307219;C#CC(C)(CO)C(=N)NN;CIKKKBNXQPUCSD-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307220;MM307220;CC(F)C(C=CF)C(C)F;MDXUJVZSFIWGPB-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307221;MM307221;C=CC(C(N)=O)C(C)=CC;PFAVVGIUPFWFDN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307222;MM307222;CC(F)C(C=CF)C(F)F;YAGBXEBPUQNKDZ-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307223;MM307223;C#CC(C)(CO)C(=O)NO;CNFVNJUDYRQRNR-UHFFFAOYSA-N;143.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307224;MM307224;CC(C)C(C=NN)C(C)C;ASGWKOZOVSYICE-UHFFFAOYSA-N;142.25;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307225;MM307225;C#CC(N)(CC)C(=N)NC;KVMOFHXZHQJOLV-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307226;MM307226;CC(C)C(C=NO)C(C)C;UAAQXTIXEMZKRJ-UHFFFAOYSA-N;143.23;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307227;MM307227;C#CC(N)(CN)C(=N)NC;LGXKPCABVYJWQK-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307228;MM307228;O=CC(=O)CN1CC1;METFAXNIHRCIOB-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307229;MM307229;C#CC(N)(CO)C(=N)NC;BCANGFJAEQOCAB-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307230;MM307230;CC(C)C(C=NN)C(C)F;IMJQFWACRKFAIB-UHFFFAOYSA-N;146.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307231;MM307231;C#CC(N)(CF)C(=N)NC;REDOOGIJLYCHFX-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307232;MM307232;CC(C)C(C=NO)C(C)F;XHCQUDWJNFXPSA-UHFFFAOYSA-N;147.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307233;MM307233;C#CC(N)(CF)C(=O)NO;VQEBRJJXCDMUBW-UHFFFAOYSA-N;146.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307234;MM307234;CC(C)C(C=NN)C(F)F;JRAJJUDCKOXBHA-UHFFFAOYSA-N;150.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307235;MM307235;C#CC(O)(CN)C(=N)NC;JUCNMZMCDAKREM-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307236;MM307236;CC(F)C(C=NN)C(C)F;NDBFLEMDLNDYIS-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307237;MM307237;C#CC(O)(CO)C(=N)NC;HBJZRAWGOQEMNA-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307238;MM307238;CC(C)C(C=CF)N(C)C;HFLTYJJJKYLZMW-UHFFFAOYSA-N;145.22;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307239;MM307239;C=CC(C=CCCO)CO;IEHYIWZPSAHPBR-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307240;MM307240;CN(C)C(C=NN)C(F)F;QSXPYCVQIXEBRH-UHFFFAOYSA-N;151.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307241;MM307241;C#CC(O)(CC)C(=O)NN;DWHKCTXXIZREBS-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307242;MM307242;CN=CN(C(C)C)C(C)C;KCYPJFLZKJUSCO-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307243;MM307243;C#CC(O)(CC)C(=O)NO;OQWWJHRBENNIIK-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307244;MM307244;CCC=CCNC=O;ITJPAOULSNGXHX-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307245;MM307245;C#CC(O)(CO)C(=O)NC;MCBAXGMFZXVMEZ-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307246;MM307246;CN=CN(C(C)C)N(C)C;PGMAONQINLJTFN-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307247;MM307247;C#CC(O)(CF)C(=O)NN;OKVJOHZTXHMKQE-UHFFFAOYSA-N;146.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307248;MM307248;CC(=O)C(C=CF)C(C)C;GAGMVVWATZKPBL-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307249;MM307249;C#CC(O)(CF)C(=O)NO;KNYMRFVJBULVNU-UHFFFAOYSA-N;147.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307250;MM307250;CC=CC(C(=N)N)C(C)C;KKBTVEKJMJVBRP-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307251;MM307251;C#CC(F)(CC)C(=O)NO;CAQZKLQHYROXDU-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307252;MM307252;CC(C)C(C=CF)C(=N)N;RFMHCOSQNQAJDC-UHFFFAOYSA-N;144.19;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307253;MM307253;C#CC(C)(CO)C(=C)OC;XLAAXEURJHYDEL-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307254;MM307254;CCNC(=O)CC(C)C;BOQSOBHPGBKUJL-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307255;MM307255;C#CC(C)(NC)C(=N)NC;YOMVPHUGZNGTJX-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307256;MM307256;CC(C)C(C=CF)C(N)=O;XRZQYNVEKQJIFB-UHFFFAOYSA-N;145.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307257;MM307257;C#CC(C)(OC)C(=O)CO;UYXXLSOXYCTQDB-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307258;MM307258;CC=CC(C(=O)O)C(C)C;RBVRWRIHDWQQDO-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307259;MM307259;C#CC(C)(OC)C(=C)OC;FXQNQPZHOBARID-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307260;MM307260;CC(C)C(C=CF)C(=O)O;ROZMVHKLBHJLSP-UHFFFAOYSA-N;146.16;1.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307261;MM307261;C#CC(N)(CN)C(=C)C=C;JRSFPKRZKFRFIR-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307262;MM307262;C=C(C)C(C=CF)C(C)N;YFTYDZNIJSPHOB-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307263;MM307263;C#CC(O)(CO)C(=C)C#N;QOOZALJZUIAMMD-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307264;MM307264;C#CC(O)(CF)C(=C)C#N;PEJJGBJNSXTTDH-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307265;MM307265;CC(N)C(C=CF)C(N)=O;BNCLYXUVCZMKBH-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307266;MM307266;C#CC(O)(CC)C(=O)C#N;ZRIPBRQUQOAEGS-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307267;MM307267;C=C(F)C(C=CF)C(C)N;UVLIZCOFQGRNEJ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307268;MM307268;C#CC(O)(CO)C(=O)C=C;VJUBUTBEZUBTRX-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307269;MM307269;CC=CC(C(=N)N)C(C)O;NAYVUQPMYHKLFV-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307270;MM307270;C#CC(O)(CO)C(=O)C=O;CIOUCZWLHZECJL-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307271;MM307271;CC(O)C(C=CF)C(N)=O;VMPFSVRTXOUABX-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307272;MM307272;C#CC(O)(CF)C(=O)C=O;VQDVZDDLNBNLLH-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307273;MM307273;CC(F)C(C=CF)C(=O)O;AUMPZACDCPPGMN-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307274;MM307274;C#CC(O)(CF)C(=O)C#N;WSNIZFYYZJHNKU-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307275;MM307275;C=C(F)C(C=CF)C(C)F;BGHSBFWFWGCHMK-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307276;MM307276;C#CC(F)(CO)C(=C)C#N;RMIDVJVDCSGLOQ-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307277;MM307277;C=C(C)C(C=CC)C(F)F;WUWAQNDBYGOJBA-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307278;MM307278;C#CC(C)(NC)C(=C)C=C;UIHBNELGGOEMMR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307279;MM307279;C=C(C)C(C=CF)C(F)F;DPNYQLZTEIDKPJ-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307280;MM307280;C#CC(C)(OC)C(=C)C=O;YPMMRGCWUCRSSC-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307281;MM307281;CC(=O)C(C=NO)C(C)C;BLLZYDSZXJPRIG-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307282;MM307282;C=CN(C=NCC=O)N=C;KGDQBOVPPWCSLO-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307283;MM307283;C=C(C)C(C=CC)N(C)C;GTVZGCIFDKFSIC-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307284;MM307284;C#CC(=C)C(N)(C#C)CN;XGUUAPYUZFDGIB-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307285;MM307285;CC=CN(C(C)=N)C(C)C;GYSYMOOXPOHFCZ-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307286;MM307286;C#CC(=O)C(F)(C#C)CF;VSPFIIIRVZYUAP-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307287;MM307287;CC(=N)N(C=CF)C(C)C;WVNHMWOUJKFVGZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307288;MM307288;C#CC(=C)C(C)(C#C)OC;IKBZTXLQWUTPRF-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307289;MM307289;CC=CN(C(C)=O)C(C)C;PCSFMMIGMUOCLB-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307290;MM307290;C=CC(C)(C=C)C(=C)CN;UPDDMQZNNCRNNQ-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307291;MM307291;CC=CN(C(=N)N)C(C)C;JKTDTIAYHHYJNW-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307292;MM307292;CNc1c[nH]c(C(C)C)n1;RZZAXZAVMDWYEI-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307293;MM307293;C=CC(C)(C=O)C(=C)CO;NTIVIUIPNUSLLJ-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307294;MM307294;C=C(C)N(C=NC)C(C)C;SLETVHYXIPLLMJ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307295;MM307295;C=C(CC)C(C)(C=O)C=O;JNYSGCUQMQCQHF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307296;MM307296;CC(C=NN)CC(N)=O;TXXBFAOINVRTPD-UHFFFAOYSA-N;129.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307297;MM307297;C=C(CC)C(C)(C#N)C#N;LTDCOSVCDIFKOQ-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307298;MM307298;CNN=CCCC(N)=O;YRZUGAFKMQZUBQ-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307299;MM307299;C=C(CF)C(C)(C=O)C=O;MQDDYGQHZKFWPV-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307300;MM307300;CC(=N)N(C=CF)N(C)C;BYGKTUSMZGNQAK-UHFFFAOYSA-N;145.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307301;MM307301;C=CC(C)(C=O)C(=O)CO;YEGCZYPMPSWEIF-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307302;MM307302;CN(C)N(C=CF)C(=N)N;GBTSWFVZGHSIDY-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307303;MM307303;CC(C#N)(C=O)C(=O)CO;SLCCVEVCAPVIMS-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307304;MM307304;C#CCCC=CC(N)=O;PVCPRQPTVRSMIS-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307305;MM307305;CC(C=O)(C=O)C(=O)CF;OMDVRRPTNKFKPB-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307306;MM307306;CC1(C)CC1CNC=O;TZCKYXGOACSAJP-UHFFFAOYSA-N;127.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307307;MM307307;C=CC(O)(C=C)C(=O)CO;KNYHTEJKZOMUJU-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307308;MM307308;C=C(C)N(C=NC)N(C)C;UDIBSCAFIIPIDT-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307309;MM307309;C=CC(O)(C#N)C(=O)CO;MWARTWNDRKEIBL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307310;MM307310;CN(C)N(C=NN)C(=N)N;FHYUTIKRJOROGK-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307311;MM307311;C=C(CF)C(F)(C=O)C=O;PNTWZMAKVHLWIP-UHFFFAOYSA-N;148.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307312;MM307312;CN(C)N(C=NO)C(=N)N;VQRBNKSXUFVTIT-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307313;MM307313;C=CC(F)(C=C)C(=O)CO;XQCWHSIWTQNGHG-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307314;MM307314;CN(C)N(C=NO)C(N)=O;FQSXLQFEWBPAHZ-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307315;MM307315;C=CC(F)(C=O)C(=O)CF;FLZOJZZNOTYEKA-UHFFFAOYSA-N;148.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307316;MM307316;C=C(C)C(C=CC)C(=N)N;DOYPPISIBVNERX-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307317;MM307317;N#CC(F)(C#N)C(=O)CF;ILTQHMRHIUZFTG-UHFFFAOYSA-N;144.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307318;MM307318;C=CC(C)(C#N)C(=O)NC;FDPWOQUFRLQJHZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307319;MM307319;C=C(C)C(C=CF)C(=N)N;QWNSZXYVQUEOQG-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307320;MM307320;C=CC(F)(C=C)C(=N)NN;PSJFSIZHKCSGTH-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307321;MM307321;CCCCC(=O)NCC;ZOQTYYYRQHZQAR-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307322;MM307322;OCCC=CCC1CC1O;XWPCOGZWGDJNKN-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307323;MM307323;C=C(C)C(C=CC)C(=O)O;UGFZKLJOZMIVKZ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307324;MM307324;C=C(OC)C(C)(C#N)C=O;OEQSNVJVIBBQIO-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307325;MM307325;C=C(C)C(C=CF)C(=O)O;CVNPCKAZVBERLW-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307326;MM307326;C=CC(C)(C=C)C(=O)OC;JWOIWQZWIBMXJJ-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307327;MM307327;CC=CC(C(N)=O)C(N)=O;NISSSCHMJRSMEI-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307328;MM307328;C=CC(C)(C#N)C(=O)OC;CWOCXBHQTLTARN-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307329;MM307329;C=C(F)C(C=NN)C(=N)N;IPBVQEPKJQGGHN-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307330;MM307330;C=CC(O)(C#N)C(=C)OC;VZQVYBMQTZUOOE-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307331;MM307331;CCc1n[nH]n(N)c1=O;LCASSUVOODPUGP-UHFFFAOYSA-N;128.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307332;MM307332;C=C(OC)C(F)(C#N)C=O;MLTIWWXPLNUTRN-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307333;MM307333;C#CC(C=NN)=CC(=O)O;RAJLADZHOTZAJN-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307334;MM307334;C=C(OC)C(F)(C#N)C#N;KYQHTLITJIGICR-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307335;MM307335;C=C(C)N(C=CC)C(C)=N;PQHBGGZQDCXGRD-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307336;MM307336;C=CC(=C)C(C)(C=C)C=C;FISNUVCCRLUKOL-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307337;MM307337;C=C(C)N(C=CC)C(C)=O;XGRRRBYGGMYFIO-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307338;MM307338;C=CC(C)(C=C)C(=C)C=O;TWGJCNMYSSCQDY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307339;MM307339;C=C(C)N(C=CF)C(C)=O;YXOAPQIFHLABLI-UHFFFAOYSA-N;143.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307340;MM307340;C=CC(C)(C=C)C(=C)C#N;LHSMXROCNCMKHF-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307341;MM307341;C=C(C)N(C=CF)C(N)=O;WHRMYSWYOGNFFV-UHFFFAOYSA-N;144.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307342;MM307342;C=CC(=C)C(C)(C=C)C=O;GWDVQWSTGDGYDU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307343;MM307343;C=CC(C)(C=O)C(=C)C=O;CTBAHTXFLWYGEC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307344;MM307344;CC=CN(C(C)=N)C(C)=N;WFINXCVXPMNQNS-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307345;MM307345;C=CC(C)(C=O)C(=C)C#N;DANCKOPTESUXJL-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307346;MM307346;CC=CN(C(C)=N)C(C)=O;CGROXSGAKFAUCI-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307347;MM307347;C=CC(=C)C(C)(C#N)C#N;KAJXVUSTFNWUBR-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307348;MM307348;CC(=N)N(C=CF)C(=N)N;VUTIUAFWKSNQKF-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307349;MM307349;C=C(C=O)C(C)(C=O)C=O;QDIBUSDLLQUKKY-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307350;MM307350;C=NN=C(CC)CC=O;OVVCDOUSIHPZRH-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307351;MM307351;C=C(C=O)C(C)(C#N)C=O;IABNUQFUGGYRTL-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307352;MM307352;CC=CN(C(C)=O)C(C)=O;RVBDIVPROLVQTN-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307353;MM307353;C=CC(C)(C=C)C(=O)C#N;OXQIIEVEJZMWNY-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307354;MM307354;CC=CN(C(=N)N)C(C)=O;CPMBVIBECABLTR-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307355;MM307355;C=CC(C)(C#N)C(=O)C#N;BQTGHZMSUUGPOL-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307356;MM307356;CC=CN(C(=N)N)C(=N)N;LAZBNSFRWKNBBK-UHFFFAOYSA-N;141.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307357;MM307357;CC(C=O)(C=O)C(=O)C=O;HZNFCUGQOBYWAR-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307358;MM307358;N=C(N)N(C=CF)C(=N)N;NBMNJPCITDNQDT-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307359;MM307359;CC(C#N)(C=O)C(=O)C=O;AOPFFZADLNRKKR-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307360;MM307360;CC=CN(C(=N)N)C(N)=O;IEHOSKKYKLGRDA-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307361;MM307361;C=CC(=C)C(N)(C=C)C=C;GYNWMOKERNZHPO-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307362;MM307362;CC=CN(C(N)=O)C(N)=O;KJVKUBMVHNFRCI-UHFFFAOYSA-N;143.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307363;MM307363;C=CC(O)(C=O)C(=C)C=O;ACUQFBYOTZAYNU-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307364;MM307364;NC(=O)N(C=CF)C(N)=O;CYCDXPFDVCNRBQ-UHFFFAOYSA-N;147.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307365;MM307365;C=CC(O)(C=O)C(=C)C#N;FHEFXVITFJRYKJ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307366;MM307366;CC(=CC(N)=O)N1CC1;DHNQXMGKGBGFTP-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307367;MM307367;C=C(C#N)C(O)(C#N)C=O;FRGHEBGZSMKYNW-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307368;MM307368;COc1noc(N)c1C;RGBAVYYUSCMHOA-UHFFFAOYSA-N;128.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307369;MM307369;C=C(C#N)C(F)(C#N)C=O;MQPHDVADMJWKEI-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307370;MM307370;Nc1ncc(CF)cn1;NVEQDUJAUITTPB-UHFFFAOYSA-N;127.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307371;MM307371;C=C(C#N)C(F)(C#N)C#N;NTVXDLKBORQTGN-UHFFFAOYSA-N;135.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307372;MM307372;C=C(C=O)C(F)(C#N)C#N;WVMMSBAAXVYHKE-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307373;MM307373;CN=CN(C(C)=O)C(N)=O;LGGWKADJEQKZHY-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307374;MM307374;C=CC(=O)C(F)(C#N)C#N;CECHCCMZESVCTQ-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307375;MM307375;CC(=O)N(C=NO)C(N)=O;PDKUGYGTZOEHMN-UHFFFAOYSA-N;145.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307376;MM307376;O=CC(=O)C(F)(C=O)C=O;DBIWLOKRQOEPFI-UHFFFAOYSA-N;146.07;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307377;MM307377;CN=CN(C(=N)N)C(=N)N;FSPLTQCQZASNDW-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307378;MM307378;N#CC(F)(C=O)C(=O)C=O;WHULLRMNOGWJEM-UHFFFAOYSA-N;143.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307379;MM307379;N=C(N)N(C=NN)C(=N)N;YQNJMRBFLVOJNU-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307380;MM307380;N#CC(F)(C#N)C(=O)C=O;SLACUWIJACMIDE-UHFFFAOYSA-N;140.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307381;MM307381;N=C(N)N(C=NO)C(=N)N;DJSABMZAHATMHV-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307382;MM307382;C#CC(=C)C(C)(C=C)C=C;KWJZHODXLQUQGJ-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307383;MM307383;CN=CN(C(=N)N)C(N)=O;DNDNRXAMEXNIMW-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307384;MM307384;C#CC(=O)C(C)(C#N)C=C;UCRJGDLKWDEFRG-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307385;MM307385;CN=CN(C(N)=O)C(N)=O;PFHROQXBFWFQLV-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307386;MM307386;C#CC(=C)C(F)(C#N)C=O;UJHNZUZUBBEWSJ-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307387;MM307387;NN=CN(C(N)=O)C(N)=O;ABNYHLCYGZSZPB-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307388;MM307388;C#CC(=C)C(F)(C#N)C#N;YZQGKXGJBFCMSN-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307389;MM307389;NC(=O)N(C=NO)C(N)=O;GBSQFQNMGOAJHM-UHFFFAOYSA-N;146.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307390;MM307390;C#CC(C)(C#N)C(=C)CC;IUSHNDKFIAGREO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307391;MM307391;CC=NN(C(N)=O)C(N)=O;DBIVJNVMSHAGOV-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307392;MM307392;C#CC(C)(C=C)C(=O)CO;UANDLZWPYUUCDZ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307393;MM307393;CC#CC(C(C)C)C(C)N;OCTGQBYRTRXWKW-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307394;MM307394;C#CC(C)(C#N)C(=O)CC;JRLQGFVFSFTNFI-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307395;MM307395;CC1C(C)C1CNC=O;QQXYFIBMEPVWMX-UHFFFAOYSA-N;127.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307396;MM307396;C#CC(O)(C#N)C(=O)CC;QBTOIBYUPGRPEV-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307397;MM307397;CC#CC(C(C)N)C(C)O;XOCCPJOXLQWJSK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307398;MM307398;C#CC(O)(C#N)C(=O)CO;JLFZGPAKDPQHHW-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307399;MM307399;C#CC(F)(C=O)C(=O)CO;FSCKYUVLSDWWAY-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307400;MM307400;CC#CC(C(C)O)C(C)O;QQZFSXTZLUWVHM-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307401;MM307401;C#CC(F)(C#N)C(=O)CF;UZOFIVFBCOIXNO-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307402;MM307402;CC#CC(C(C)N)N(C)C;YMCDPRLKLQLGJD-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307403;MM307403;C#CC(C)(C=O)C(=O)NC;KQXCTXQVAJBZEW-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307404;MM307404;CC#CC(C(=N)N)C(C)C;RVLRASUEDXIVKV-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307405;MM307405;C#CC(O)(C=C)C(=O)NN;UPGRHGNAAAPTJX-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307406;MM307406;CC#CC(C(N)=O)C(C)C;HGJQLSCRUKGNHV-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307407;MM307407;C#CC(O)(C=C)C(=O)NO;LOLQZURBWXQYBR-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307408;MM307408;CC#CC(C(C)=O)C(C)O;MFERSVBKFCLUCJ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307409;MM307409;C#CC(O)(C=O)C(=O)NC;TZNKMQLTGPVLGP-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307410;MM307410;N=c1c(O)ncc(O)n1O;WHXSFDMCPIDWHI-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307411;MM307411;OCCC=CCCCCO;LKOXHVXBLDKDND-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307412;MM307412;CC#CC(C(=N)N)C(C)F;UZGWXBCYEMYILI-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307413;MM307413;Cn1ncc(O)n1;AGRBPCARFVQYOW-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307414;MM307414;CC(C)C(=CCN)C(C)N;NTWOJIUNMKKLEY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307415;MM307415;C#CC(F)(C=C)C(=O)NC;VVGHOTCZEGRSLT-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307416;MM307416;CC(C)C(=CCN)C(C)F;YWCDKYRUNCCJPV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307417;MM307417;C#CC(C)(C#N)C(=C)OC;NRWOIILYPWXQPZ-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307418;MM307418;CC(C)C(=CCN)C(F)F;SOTJNPUDNFQIJK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307419;MM307419;C#CC(F)(C=O)C(=C)OC;NDALVGQHWYKHOZ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307420;MM307420;CC(N)C(=CCF)C(C)N;REIWLUHDCASWAQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307421;MM307421;C#CC(F)(C#N)C(=C)OC;WNYIFFGTQFZCAV-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307422;MM307422;C#CC(C)(C#N)C(=C)C=C;GDYMYBCOKHAOGW-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307423;MM307423;CC(N)C(=CCN)C(C)O;ANSSUZXTOYLWMA-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307424;MM307424;C#CC(C)(C#N)C(=C)C=O;MFOPZYFVKXZFRO-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307425;MM307425;CC(O)C(=CCO)C(F)F;SVSSAVDGUYLYRK-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307426;MM307426;C#CC(C)(C#N)C(=C)C#N;LCFVBRKEZCHIHO-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307427;MM307427;CC(F)C(=CCN)C(C)F;LMEHZFWOIGEPLE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307428;MM307428;C#CC(C)(C#N)C(=O)C#N;TXIXYQMAWDBHQD-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307429;MM307429;CC(F)C(=CCN)C(F)F;CRDVWPAIAXBZDV-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307430;MM307430;C#CC(O)(C=C)C(=C)C#N;OBXFLGBJSSCPIV-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307431;MM307431;CN1C(CF)C1CC=O;XYNHYCLCQGVVRC-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307432;MM307432;C#CC(O)(C#N)C(=C)C#N;PTTNXDXDVINPAQ-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307433;MM307433;CN(CC(C)(C)C)C(N)=O;GXYWOOAUYJXZLE-UHFFFAOYSA-N;144.22;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307434;MM307434;C#CC(F)(C=O)C(=C)C=O;BYVRJPOWRYLWIB-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307435;MM307435;CON=C(C(C)C)C(C)N;NTTRKMIGUPVQAS-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307436;MM307436;C#CC(F)(C#N)C(=C)C=O;DTFQYGXJDAIWKJ-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307437;MM307437;C=C(CO)CC(C)(C)CO;NVNJQYLYBVHGTC-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307438;MM307438;C#CC(F)(C=O)C(=C)C#N;JDSDEHPFQBORBU-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307439;MM307439;CON=C(C(C)N)C(F)F;KJWHXNGDWFLNFA-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307440;MM307440;C#CC(F)(C#N)C(=O)C=C;GAWJWTOZBCYBBQ-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307441;MM307441;CON=C(C(C)O)C(F)F;APRFRCHVSFHUTE-UHFFFAOYSA-N;153.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307442;MM307442;C#CC(F)(C=O)C(=O)C=O;IHRZVBJLFLUSGF-UHFFFAOYSA-N;142.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307443;MM307443;CCN=C(C(C)O)N(C)C;ZODXRJLEJQVTCR-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307444;MM307444;C#CC(=C)C(C)(C#C)C#N;ZTQXWVPKJSXPAO-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307445;MM307445;CCN=C(C(F)F)N(C)N;MZSXVLWTVSXSQV-UHFFFAOYSA-N;151.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307446;MM307446;C#CC(=C)C(F)(C#C)C=O;SZAUGRQCTOGSOY-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307447;MM307447;C#CC(C)(C#C)C(=C)CC;YLQMCWDFFQBXQL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307448;MM307448;CC(C)(CF)CCC(N)=O;PFAXQIDGTHRKER-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307449;MM307449;C#CC(C)(C#C)C(=C)CN;GEBPJZRKJOWMKO-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307450;MM307450;CC(F)CCCCC(N)=O;VMVIGAGPLHPXPE-UHFFFAOYSA-N;147.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307451;MM307451;CCCC=CCCNC=O;YOMHPKNBPSYXIS-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307452;MM307452;C=C(C)C=C(C)CNC=O;HSXFPALOLRYIGJ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307453;MM307453;C#CC(C)(C#C)C(=C)CF;PXTYFDTZHQNWJQ-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307454;MM307454;CON=C(C(C)F)N(C)N;NZKRXAQGMCSUKK-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307455;MM307455;C#CC(C)(C#C)C(=O)CC;WTNGCHLBYJPHHO-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307456;MM307456;CON=C(C(F)F)N(C)C;SPSMQWVDPQTHOV-UHFFFAOYSA-N;152.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307457;MM307457;C#CC(C)(C#C)C(=O)CF;MWAWOUGOYKCAGK-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307458;MM307458;CCN=C(N(C)C)N(C)C;LJNQGWIMQCKPSH-UHFFFAOYSA-N;143.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307459;MM307459;C#CC(N)(C#C)C(=C)CN;RMDAHYVJWAFDHL-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307460;MM307460;CCN=C(N(C)C)N(C)N;HYDBXMZUOVGODV-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307461;MM307461;C#CC(O)(C#C)C(=C)CF;HIERLGLGSPEZPU-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307462;MM307462;CCN=C(N(C)C)N(C)O;IVNBMLZJZYYXRG-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307463;MM307463;C#CC(F)(C#C)C(=C)CN;WUHVOFDJPQALCI-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307464;MM307464;CCN=C(N(C)N)N(C)O;AETSYTXXWJWLKF-UHFFFAOYSA-N;146.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307465;MM307465;C#CC(F)(C#C)C(=C)CO;WRWWCXRCDOXHDN-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307466;MM307466;CNN=C(N(C)N)N(C)N;RBRLIRLDYLLNJJ-UHFFFAOYSA-N;146.2;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307467;MM307467;C#CC(C)(C#C)C(=C)OC;DFGNTNGLRVPZRZ-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307468;MM307468;CC(C)C(=CC=O)C(C)C;KSNOVHDZPHKHOH-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307469;MM307469;C#CC(C)(C#C)C(=O)OC;LYVGXHLCNMCKHM-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307470;MM307470;C=CC=C(C(C)N)C(C)N;YKNMCQZLSJFOCE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307471;MM307471;C#CC(O)(C#C)C(=C)OC;RSYXJBVELACJKE-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307472;MM307472;C=CC=C(C(C)N)C(C)F;FYRCLDLACBAEFK-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307473;MM307473;C#CC(F)(C#C)C(=C)OC;RKSNFGLWVPHJGX-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307474;MM307474;CN(C)C(=CC=O)C(F)F;RACSATJOROZRKM-UHFFFAOYSA-N;149.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307475;MM307475;C#CC(F)(C#C)C(=O)OC;INVRHLBZTPFMOC-UHFFFAOYSA-N;140.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307476;MM307476;CC(C)C(=NC=O)N(C)N;CGGXMPYLHYFJHC-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307477;MM307477;C#CC(C)(C#C)C(=C)C=C;IKRNWOKNTAKIPV-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307478;MM307478;CC(N)C(=NC=N)N(C)C;BGQSSUACXARGRF-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307479;MM307479;C#CC(C)(C#C)C(=C)C=O;ZHYVCPMOWNUROU-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307480;MM307480;CCC(C)CN(C)C(N)=O;TZHZXOIBROYKQJ-UHFFFAOYSA-N;144.22;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307481;MM307481;C#CC(C)(C#C)C(=C)C#N;UNVXXKRUBRPNQZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307482;MM307482;CC(CCF)CCC(N)=O;OVUGLYJJVSFALG-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307483;MM307483;C#CC(C)(C#C)C(=O)C#N;RKJMDBXPBXLXGA-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307484;MM307484;CC(O)C(=NC=O)N(C)O;RTOHBNUVZFHKSI-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307485;MM307485;C#CC(F)(C#C)C(=O)C#N;WJJPLGVKZOCQDN-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307486;MM307486;CC(F)C(=NC=N)N(C)C;RDJSTXAAQKGWNE-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307487;MM307487;C#CC(=C)C(C)(C#C)C#C;IREURXBSEURHHU-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307488;MM307488;CN(O)C(=NC=O)C(F)F;PRSOYBNNGRLHJJ-UHFFFAOYSA-N;152.1;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307489;MM307489;C#CC(=O)C(C)(C#C)C#C;FCXYXOXALHPADS-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307490;MM307490;C=NN=C(C(C)F)N(C)O;UNRJVXQVXQZYDU-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307491;MM307491;C#CC(=C)C(O)(C#C)C#C;VBWIJLQZBGFNJS-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307492;MM307492;CN(C)C(=CC=O)N(C)C;VUKSNKDDJSGJDK-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307493;MM307493;C#CC(=C)C(F)(C#C)C#C;VTBWAXIDAMEMCC-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307494;MM307494;CN(N)C(=NC=N)N(C)N;OHUPLIFVJAOGBV-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307495;MM307495;C#CC(=O)C(F)(C#C)C#C;RPPUKZQMFCIIQF-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307496;MM307496;CN(O)C(=NC=O)N(C)O;VYQPHIMBVUHZPF-UHFFFAOYSA-N;147.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307497;MM307497;C#CC=C(C(C)N)C(C)O;DIAYBCBDMZWMIC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307498;MM307498;CC=C(C)C(C)(CC)CC;XZJBBBRQEDEVRK-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307499;MM307499;C#CC=C(C(C)O)C(C)O;WKTVRQNMLFYVHL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307500;MM307500;CC=C(C)C(C)(CC)CN;KBIHYZOXACOQSP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307501;MM307501;CC(=O)C(=CCF)C(C)C;YXMHGHJJNHCKFJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307502;MM307502;CC=C(C)C(C)(CN)CN;DEDPCEHZSBCVEN-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307503;MM307503;C=C(CO)CC1(C)CC1O;XVTNSBTUTMHGIF-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307504;MM307504;CC=C(C)C(C)(CN)CF;CZGXDZANRWSHBI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307505;MM307505;CC(=CF)C(C)(CN)CF;ABQUOEUTJVCCMH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307506;MM307506;CCC=C(C(=O)O)C(C)C;HUWWTMMDDJPISS-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307507;MM307507;CC=C(F)C(C)(CN)CN;FWZINEPSLGIGEM-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307508;MM307508;CC(C)C(=CCF)C(=O)O;LEOWAYPXNFNEQE-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307509;MM307509;CC(CN)(CN)C(F)=CF;RAHRLUMZGWKCPN-UHFFFAOYSA-N;150.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307510;MM307510;C=C(F)C(=CCN)C(C)C;WFAVDQPVNKDUAH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307511;MM307511;CC=C(C)C(N)(CN)CF;ATERYSBCUWGSTL-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307512;MM307512;CCC=C(C(N)=O)C(C)N;BUVAZNWBHMHGEZ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307513;MM307513;CC=C(F)C(N)(CC)CN;VDSDLJSJEDXYDU-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307514;MM307514;C=C(F)C(=CCN)C(C)N;LTDFYAMRQPECCL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307515;MM307515;CC=C(F)C(N)(CN)CF;YWSNBWXYGBEORH-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307516;MM307516;C=C(C)C(=CCN)C(C)F;XKCLBBAILSMYTC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307517;MM307517;CC=C(C)C(O)(CN)CO;GVDHWHAAIBKGPJ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307518;MM307518;CC(=O)C(=CCF)C(C)F;BEFWVSQITHAICO-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307519;MM307519;CC(=CF)C(O)(CN)CF;TYBZNZDMPKTSKS-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307520;MM307520;CC(F)C(=CCO)C(=N)N;LJMZYJOVKSMSHZ-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307521;MM307521;OCC(O)(CO)C(F)=CF;KYRLQUUCDLFRIL-UHFFFAOYSA-N;154.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307522;MM307522;CC(CF)CCCC(N)=O;JUZPAFVWCINTNV-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307523;MM307523;CC=C(F)C(F)(CN)CN;XDTYXVGTKQQJEA-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307524;MM307524;CCC(CCF)CC(N)=O;VNKUSLGIPCWYFX-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307525;MM307525;CC=C(F)C(F)(CO)CO;WYPDZFFHABADJH-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307526;MM307526;CCCC(CF)CC(N)=O;IHWBMFYNXCATTO-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307527;MM307527;CC(=NO)C(C)(CO)CO;KKPJVZGTKNCMGP-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307528;MM307528;C=C(C)C(=CCN)C(F)F;AGKOXXRPLSHLCP-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307529;MM307529;CC(=NO)C(C)(CO)CF;FGUNLUVTCPLRIY-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307530;MM307530;CNC=C(C(=N)N)C(C)C;NQLVWTGFEZCNIQ-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307531;MM307531;CC(=NN)C(C)(CF)CF;PJNSKDRYNBDPTB-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307532;MM307532;CC(C#CCC(=O)O)C=O;MKJSWWJHXGVCOK-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307533;MM307533;CC(=NO)C(C)(CF)CF;FZEWBUBIQNLQQG-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307534;MM307534;C=CC(C=NN)CC(N)=O;SJZVGZZXTKRTJK-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307535;MM307535;C=NNCCC=CCCO;GCJFOHWAKUIKCL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307536;MM307536;COC=C(C(C)=O)C(C)O;MEVSVWYXQKNPCS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307537;MM307537;C=NN1CC1C=CCCO;RTKVNGJDHQQKAB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307538;MM307538;COC=C(C(=N)N)C(F)F;CJTCKNPQJAUDFC-UHFFFAOYSA-N;150.13;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307539;MM307539;CC=C(C)C(C)(CF)NC;AQNOOEKQAMPOOS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307540;MM307540;C=C(C)C(=NNC)C(C)C;XREYYYLTKMKQOD-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307541;MM307541;CCC(C)(NC)C(C)=NO;PCSFXQHOFGHKPX-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307542;MM307542;CNN=C(C(C)=O)C(C)O;LDILPGQZGAVOIR-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307543;MM307543;C=CC(C)(CC)C(C)=CC;JQSQOMRRVURWGV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307544;MM307544;CNN=C(C(N)=O)C(C)O;MSLAHVQTMXIBPP-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307545;MM307545;CC=C(C)C(C)(C=O)CC;LOAKKVHZQBHSCC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307546;MM307546;C=C(C)C(=NNC)C(C)F;FXLRBPWFICLDEN-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307547;MM307547;C=CC(C)(CN)C(C)=CF;OMXMZKPGGAEVQJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307548;MM307548;CNN=C(C(=N)N)C(C)F;JLOSWDKCHMVNNO-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307549;MM307549;CC(=CF)C(C)(C=O)CO;DQYCYNMQLBJXIB-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307550;MM307550;C=C(OC(C)=CC)C(=O)O;IVNCSTFOCXABTO-UHFFFAOYSA-N;142.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307551;MM307551;CC(=CF)C(C)(C=O)CF;PGRIWYQSZACCCG-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307552;MM307552;CC(C#N)(CO)C(F)=CF;ZWCWYNFSRMJXLR-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307553;MM307553;C=C(C=O)OC=CC(=O)O;VMTARXBJQVMYSO-UHFFFAOYSA-N;142.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307554;MM307554;C=CC(N)(CN)C(C)=CC;MBUAZQAGEHYEIG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307555;MM307555;CON=C(C(N)=O)C(C)O;FNXVJZLDBHHNTN-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307556;MM307556;C=CC(N)(CN)C(F)=CC;BLOSMAWMOMKJRM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307557;MM307557;C=C(F)C(=NOC)C(C)O;QGQZBGNOCNAKSA-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307558;MM307558;C=CC(O)(CN)C(C)=CC;MFTIBPLTKUINKC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307559;MM307559;CCN=C(C(=N)N)N(C)C;LXVFEBNJSWXJJH-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307560;MM307560;CC=C(F)C(O)(C#N)CO;UKAFABSZWKZMCX-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307561;MM307561;CCN=C(C(=N)N)N(C)N;HSVQKEBFLLZFRL-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307562;MM307562;O=CC(O)(CO)C(F)=CF;FBRNIZDMEISRSE-UHFFFAOYSA-N;152.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307563;MM307563;CC(C)C(CF)CC(N)=O;JXCIILAZCWGFHT-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307564;MM307564;N#CC(O)(CF)C(F)=CF;GFYFKGIHMXVZET-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307565;MM307565;CCN=C(C(=N)N)N(C)O;GGFBACPGXRZQDE-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307566;MM307566;N#CC(F)(CO)C(F)=CF;RZUVVPIJEWJXFR-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307567;MM307567;C=NN=C(NN=C)ON=C;IKCYCVKSUAJAGT-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307568;MM307568;CN(C=NO)N=CC(=O)O;PBHRRRZSBGHOAV-UHFFFAOYSA-N;145.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307569;MM307569;COC=COC(C)C(=O)O;RMQFBMFLUZIROM-UHFFFAOYSA-N;146.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307570;MM307570;C=CC(C)(NC)C(C)=CC;LBTKARVUSNUGTC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307571;MM307571;CC(CO)CCC(=O)CF;RCLPCJSNPQIRAO-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307572;MM307572;C#CC(C)(CO)C(C)=NO;GPCVRQUUUGQKFG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307573;MM307573;C#CC(C)(C)OCC(=O)O;VBOSUGFUHYTIHL-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307574;MM307574;C#CC(C)(NC)C(C)=CC;NRYDTNGMVQTNSQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307575;MM307575;C=C(CO)CC1(CO)CC1;HRVZPMBNXDNUFM-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307576;MM307576;C=CC(C)(C=C)C(C)=CC;LJIAVMUTJVHCNL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307577;MM307577;C=CC(C)C(C)C(=O)NC;VFDCKDCSFJATGP-UHFFFAOYSA-N;141.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307578;MM307578;C=CC(C)(C=O)C(C)=CF;FRBVTHXETSRERB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307579;MM307579;C=C(F)C(=NOC)N(C)C;OZFIOKDVXXYNDO-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307580;MM307580;CC=C(C)C(C)(C=O)C=O;ABFFIFBGQSGQQG-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307581;MM307581;C=C(F)C(=NOC)N(C)N;QKMATQMJBLJEGG-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307582;MM307582;CC=C(C)C(C)(C#N)C#N;MUADZLIOMDOSDS-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307583;MM307583;C=CCCC(=C)CNC=O;OWAOQXAEFSSGQE-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307584;MM307584;CC(=CF)C(O)(C#N)C=O;HQAQQOCWPKIRDV-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307585;MM307585;C=CC=C(C(=N)N)C(C)C;BIDICWFSSBUHEI-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307586;MM307586;N#CC(O)(C=O)C(F)=CF;FZGNIQWQMYBSIS-UHFFFAOYSA-N;147.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307587;MM307587;C=CC(C)=C(C)CNC=O;IHZODHDNVOCLIC-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307588;MM307588;C=CC(C)(C=C)C(C)=NN;CGRGDLSCJGMYQR-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307589;MM307589;C=CC=C(C(=O)O)C(C)C;LQXFKSWUAMHTGP-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307590;MM307590;C=CC(C)(C=C)C(C)=NO;PBOSOODXEUNIDC-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307591;MM307591;C=C(C)C(=CC=O)C(C)O;FMHMHQBQXSEHEM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307592;MM307592;CC(=NO)OC(C)C(=O)O;CLYWQAYLYGIGRD-UHFFFAOYSA-N;147.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307593;MM307593;CC(O)C(=CC#N)C(=N)N;XZAWKAKWXOZXEF-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307594;MM307594;C#CC(C)(C#N)C(C)=CC;YMQGLKHENXMLTA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307595;MM307595;C=CC=C(C(N)=O)C(C)O;NDBNZMSLRRLUQU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307596;MM307596;C#CC(O)(C=O)C(C)=CC;ITHDRDUAGQWXAI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307597;MM307597;CC(O)C(=CC#N)C(N)=O;PCYNIQSMSYMXIJ-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307598;MM307598;C#CC(O)(C=O)C(F)=CF;ZMAVBFPSTBCOOK-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307599;MM307599;O=C(O)COC1CC1;KMWUDQCOBHVOGJ-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307600;MM307600;O=CN(C=O)NCC(=O)O;NHKIEUMZJHCLFU-UHFFFAOYSA-N;146.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307601;MM307601;N#CC=C(C(=N)N)C(F)F;KBODLEZVILAQNT-UHFFFAOYSA-N;145.11;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307602;MM307602;C#CC(C)(C#C)C(C)=CC;DHUMSJHVFQGARC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307603;MM307603;COC(C)OCC(=O)O;BCALRGSEFXBHHY-UHFFFAOYSA-N;134.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307604;MM307604;C#CC(C)(C#C)C(C)=CF;BCZCKDLJYOQZJM-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307605;MM307605;C=NN=C(C(N)=O)C(C)F;QNWJBUDZSFWTDG-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307606;MM307606;C#CC(C)(C#C)C(C)=NN;ROTZQOUQOXRCHZ-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307607;MM307607;COCCOCC(=O)O;CLLLODNOQBVIMS-UHFFFAOYSA-N;134.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307608;MM307608;C#CC1(C#C)NC1C(=O)O;WLJSMOTXNSNVFT-UHFFFAOYSA-N;135.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307609;MM307609;C=C(F)C(=NC=N)N(C)C;UYABSDJVRFIYGT-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307610;MM307610;C#CC(F)(C#C)C(C)=NN;GCEOVPUEEOXJGP-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307611;MM307611;C=CCC(CC)C(=O)NC;VYUUXORNOKOBDZ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307612;MM307612;N=Cn1nnc(O)c1O;VFTAKUWVRUJGGB-UHFFFAOYSA-N;128.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307613;MM307613;CC1C(C(=O)O)C1(O)C=O;BPZGGYJRCSINIT-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307614;MM307614;CCCCC(C)(CC)CC;HSOMNBKXPGCNBH-UHFFFAOYSA-N;142.29;4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307615;MM307615;N#CC1C=NN=C1;CSRFQWAXOIKKLT-UHFFFAOYSA-N;93.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307616;MM307616;C=C(F)C(=NC=N)N(C)N;JHKYZMUWZYENME-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307617;MM307617;CCC(C)(CC)CCCN;KDAUQEYLZQEYJV-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307618;MM307618;CCC(C)(CC)CCCO;XAXSBHNNMUZTCL-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307619;MM307619;CN(O)C(=NC=O)C(N)=O;RLVSGWNRHLMVJM-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307620;MM307620;CC(CO)OCC(=O)O;NEHKSRUKLPVHHG-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307621;MM307621;CCC(C)(CC)CCCF;BEAFSWVSGOBRAM-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307622;MM307622;CCCCC(C)(CC)CN;SRHFIXPAUUDKOR-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307623;MM307623;C=NN=c1[nH]c(=O)[nH]o1;SIDHZKCLIFQKKI-UHFFFAOYSA-N;128.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307624;MM307624;CCC(C)(CN)CCCN;PCDXTISDWSXSII-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307625;MM307625;C=CC=C(CC)CNC=O;WNPSYZFEEAICHF-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307626;MM307626;C=NN=C(C(=C)F)N(C)N;MHQIQZDBABSMNF-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307627;MM307627;CCC(C)(CN)CCCO;NQCUGPRXEWVXBO-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307628;MM307628;CC(O)COCC(=O)O;UMPBXBOLMWZWSS-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307629;MM307629;CC(C=CCCO)N1CC1;GVLVAEGILQNFKF-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307630;MM307630;C=NN=C(C(=C)F)N(C)O;GYYKPVNTRTZWBH-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307631;MM307631;CCC(C)(CO)CCCN;SDDSNMUMEDZPRU-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307632;MM307632;O=C(O)C=C(F)CCO;DPNYIVDZYJYNBG-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307633;MM307633;C=CC=C(C)C(N)=O;LYWGFACZNUMJKR-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307634;MM307634;C#CC=C(C(N)=O)C(F)F;RPWWTIIBPQSYHO-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307635;MM307635;CCC(C)CNC=O;KEEBWWNHBWULBD-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307636;MM307636;C=C(C)C(=CCC)C(C)=O;XZAQNMFLMYQRNV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307637;MM307637;CCCCC(C)(CC)CF;RDLNIRIWJGNQFE-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307638;MM307638;C=C(C)C(=CCF)C(C)=O;GBQCQDCXGDHBDX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307639;MM307639;CCC(C)(CF)CCCN;SXUKEEQYMSBZAY-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307640;MM307640;C=C(C)C(=CCC)C(=N)N;ROBGNBIWUTVDAW-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307641;MM307641;CCCCC(C)(CN)CN;UINFTAYCIZBLNF-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307642;MM307642;C=C(C)C(=CCN)C(=N)N;HIDNKKKUDNBJEP-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307643;MM307643;CC(CN)(CN)CCCN;CJPAVWNBSUGISZ-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307644;MM307644;C=C(C)C(=CCN)C(N)=O;RDTKJXGYOADKRW-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307645;MM307645;CC(CN)(CN)CCCO;RHWTUSGAKLKNAB-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307646;MM307646;C=NN=C1C=CN(C=O)C1;OLZMHHWEWRMDTE-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307647;MM307647;CCCCC(C)(CN)CO;KNDSJDWWXFHIFF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307648;MM307648;CC(=O)C(=CCF)C(N)=O;DKAVDMJHUHSNJO-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307649;MM307649;CCCCC(C)(CN)CF;QSRQASYLVZPUKI-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307650;MM307650;CCC=C(C(=N)N)C(=N)N;CMHFXUISFWKUGW-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307651;MM307651;CCCCC(C)(CO)CO;QOOXGUCQYVVEFD-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307652;MM307652;C=COC(CCO)C(=O)O;DBDSCULWVHZJLH-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307653;MM307653;CC(CF)(CF)CCCF;VIKPLCDVFFLHTK-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307654;MM307654;CCC=C(C(=O)O)C(=O)O;FJWCTQCMDWCKEC-UHFFFAOYSA-N;144.13;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307655;MM307655;CCCCC(N)(CC)CC;JFKXMFQLKZLMLM-UHFFFAOYSA-N;143.27;2.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307656;MM307656;O=C(O)COCCCO;WKNKVOFDKCLKRT-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307657;MM307657;CCC(N)(CC)CCCN;VOSHIQOQAPEWLM-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307658;MM307658;Cc1n[nH]c(C)c1C;HUVAAOZUPLEYBH-UHFFFAOYSA-N;110.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307659;MM307659;CCC(N)(CC)CCCO;GHGOOZILPMJEKK-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307660;MM307660;COC=C(C(=N)N)C(=N)N;FAPXASNMPCJXSR-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307661;MM307661;CCC(N)(CN)CCCN;OLOKXWBLJUFERD-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307662;MM307662;COC=C(C(=N)N)C(N)=O;GOUMZYZDFKYYRS-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307663;MM307663;CCC(N)(CN)CCCO;VJCGLLVAFDZVSC-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307664;MM307664;COC=C(C(N)=O)C(N)=O;BSVZIEYYQONHQF-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307665;MM307665;CCCCC(N)(CC)CO;AQVAKYWHEGYKEE-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307666;MM307666;C=C(F)C(=COC)C(N)=O;YBAYSBYCAKKDOW-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307667;MM307667;NCC(N)(CN)CCCO;KPUSKDJNEPYJCW-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307668;MM307668;C=C(C)C(=NNC)C(=C)C;YKJVAUNFACIQAK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307669;MM307669;NCC(N)(CO)CCCO;QBACLEGMCAFRPO-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307670;MM307670;NC(=O)C(O)C(C=O)=NO;HWNHYQVANHYOCA-UHFFFAOYSA-N;146.1;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307671;MM307671;NCCCC(N)(CO)CO;KEQOYKVCCLUFQG-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307672;MM307672;CON=C(C(N)=O)C(N)=O;MHIXOQXRXDCMMA-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307673;MM307673;NC(CO)(CO)CCCO;WJXVBOKNNOOHEL-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307674;MM307674;N=c1nn[nH]ccc1=NO;YGFATYQTKXDUOV-UHFFFAOYSA-N;139.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307675;MM307675;C=NN1CC(C=O)C1;BJFIKLKUTRUSNU-UHFFFAOYSA-N;112.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307676;MM307676;CC(C)ON=CC(=O)O;ALNBSBNUZMWFSY-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307677;MM307677;CCC(O)(CC)CCCN;PWZOHEAPXSJTPK-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307678;MM307678;C=CC=C(C(=C)C)C(C)=O;CELNZJLAFWLOER-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307679;MM307679;CCC(O)(CC)CCCF;IPWWLHQBRSFSRV-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307680;MM307680;C=C(C)C(=CC#N)C(C)=O;NXUXGGYIJNIAIM-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307681;MM307681;CCC(O)(CN)CCCN;FVLBDDIJWLAZHM-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307682;MM307682;COCC(C)=CC(N)=O;DOXFKSASORZOLW-UHFFFAOYSA-N;129.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307683;MM307683;CCC(O)(CN)CCCO;MHIVVBANGQHOKC-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307684;MM307684;C=CC=C(C(C)=O)C(C)=O;JMZAKYREBUUNFI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307685;MM307685;NCCCC(O)(CN)CN;FOJCAHUYDJOZSY-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307686;MM307686;CC(=O)C(=CC=O)C(=N)N;NNFZZHKYQCYSEJ-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307687;MM307687;NCC(O)(CO)CCCO;UFDPAYDWUHVBSJ-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307688;MM307688;CC(=O)C(=CC=O)C(N)=O;DZEPTYDZVIVQNA-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307689;MM307689;NCCCC(O)(CO)CO;UHCCTPOWVMKDNY-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307690;MM307690;C=C(F)C(=CC#N)C(=N)N;IXKFZEJVMCFQLG-UHFFFAOYSA-N;139.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307691;MM307691;OCCCC(O)(CO)CO;JGQMPCXWJFPBAC-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307692;MM307692;C=C(F)C(=CC#N)C(N)=O;BGMIHICLAVOAET-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307693;MM307693;CCCCC(F)(CC)CC;VLVVGMXFLSVPHB-UHFFFAOYSA-N;146.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307694;MM307694;C=NN=C(C(C)=O)C(C)=O;LEUMEHQULSPGBT-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307695;MM307695;CCC(F)(CC)CCCN;CPSGAUHTXQAIPW-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307696;MM307696;C=NN=C(C(=C)F)C(N)=O;PYPKNHJVWHBDNF-UHFFFAOYSA-N;143.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307697;MM307697;CCC(F)(CC)CCCO;KNJQAERNEIHZFN-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307698;MM307698;CCCON=CC(=O)O;WQLZQPOUWJCCCM-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307699;MM307699;CCCCC(F)(CC)CN;AESWNUVYBCVFKJ-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307700;MM307700;C#CC=C(C(=N)N)C(=N)N;HHOSFRHDLZFZKD-UHFFFAOYSA-N;136.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307701;MM307701;CCC(F)(CN)CCCF;FUXBVOSTIVUCSR-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307702;MM307702;C#CC=C(C(N)=O)C(N)=O;FHMRDMIPFSTQSH-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307703;MM307703;CCC(F)(CF)CCCN;RUNVDNVMAVYYSD-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307704;MM307704;C#CC=C(C(=C)F)C(N)=O;BVPKSUFNETVDRN-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307705;MM307705;NCCCC(F)(CN)CN;RRCGGBXDNMLOIQ-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307706;MM307706;CC(C)=C(CCF)C(C)C;FTJLYKLEHWRAOE-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307707;MM307707;CCCCC(F)(CN)CF;TVRYELQKRZKBQP-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307708;MM307708;CC(F)=C(CCN)C(C)C;BAFSYKYKNFJQOK-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307709;MM307709;NCC(F)(CF)CCCO;XVHHQUAGNIKXAJ-UHFFFAOYSA-N;153.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307710;MM307710;CC(F)=C(CCO)C(C)C;LIWHZJRRZMZAPL-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307711;MM307711;NCCCC(F)(CO)CO;LBJQCKYDUVTTCL-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307712;MM307712;CC(F)=C(CCF)C(C)C;CDWPTNGBKAIBQE-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307713;MM307713;OCCCC(F)(CO)CO;XAUHOAXUNUEXHT-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307714;MM307714;CCCC(=C(C)F)C(C)N;ZRZGKLXKOFULAF-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307715;MM307715;CCC(C)(CC)CCNC;ZIWSTKWHQHDFOB-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307716;MM307716;CC(F)=C(CCO)C(C)N;HLQNJVKXBYODKU-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307717;MM307717;CCC(C)(CO)CCNC;GFHQTCWVUPNRKI-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307718;MM307718;CC(F)=C(CCF)C(C)N;AOWXDVMJDYQVQG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307719;MM307719;CNCCC(C)(CN)CN;YWPXWCRSROUSPJ-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307720;MM307720;CC(N)C(CCN)=C(F)F;BPYCLHODOKUNJG-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307721;MM307721;CNCCC(C)(CN)CF;ACFJNYUXXVFVRS-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307722;MM307722;CC(N)C(CCO)=C(F)F;RJFZKQKVDLTSEV-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307723;MM307723;CNCCC(C)(CF)CF;JZKKUFWPWCMITQ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307724;MM307724;CC(N)C(CCF)=C(F)F;OXFXKFUSHJRWDI-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307725;MM307725;CCC(N)(CN)CCNC;QVGIGYHPPQHMEK-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307726;MM307726;CC(F)=C(CCF)C(C)O;RAUJNPBOKBQIOT-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307727;MM307727;CNCCC(N)(CO)CO;QEVHWQQHORWXKX-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307728;MM307728;CC(O)C(CCN)=C(F)F;DKYWJWTUZUXXDI-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307729;MM307729;CCC(O)(CN)CCNC;LMOFBOUTBLIZGC-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307730;MM307730;CC(O)C(CCO)=C(F)F;HDGRHLHJRFYTBP-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307731;MM307731;CNCCC(O)(CN)CN;GEVHYQNIPDOKAW-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307732;MM307732;CC(C)=C(CCN)C(C)F;LYIYRYKPDLVZQS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307733;MM307733;CNCCC(O)(CO)CO;XKNDPRJADGGQCR-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307734;MM307734;CC(C)=C(CCO)C(C)F;USXGAEUQICFVIH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307735;MM307735;CCC(F)(CC)CCNC;FJKPQAMECBBLLH-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307736;MM307736;CC(C)=C(CCF)C(C)F;OTHZWRJUNRWDAE-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307737;MM307737;CNCCC(F)(CO)CO;KQHJSSQPPGZUBM-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307738;MM307738;CC(F)=C(CCF)C(C)F;TWNSISZRZJNWSJ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307739;MM307739;CCC(C)(CC)CCOC;MPOMLTYGDYKCLH-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307740;MM307740;CC(F)C(CCN)=C(F)F;FWZUNJQFHWJOOJ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307741;MM307741;CCC(C)(CN)CCOC;MAFPNNPKLCTCAH-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307742;MM307742;CC(C)=C(CCF)C(F)F;ZUWHNWYJJBFEKI-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307743;MM307743;COCCC(C)(CN)CN;MQJDNFKDYWNHFK-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307744;MM307744;CC(F)=C(CCN)C(F)F;HZYIRYFGIGSKOD-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307745;MM307745;COCCC(C)(CN)CO;QBZHMBHAJVTWFH-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307746;MM307746;CC(F)=C(CCF)C(F)F;OLBPURCCUFLJTK-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307747;MM307747;COCCC(C)(CO)CO;SECOIMSSKPHGMG-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307748;MM307748;CNCC(=C(C)C)C(C)C;XVXMIZYGTUWTGQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307749;MM307749;COCCC(C)(CF)CF;IHSOFPVBMZRSHI-UHFFFAOYSA-N;152.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307750;MM307750;CNCC(=C(C)F)C(C)C;SEKKWSWEELTZNP-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307751;MM307751;CCC(N)(CC)CCOC;DZUGYTZRLFNPQG-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307752;MM307752;CNCC(=C(F)F)C(C)C;DJKGQDNMOKFVJG-UHFFFAOYSA-N;149.18;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307753;MM307753;CCC(N)(CF)CCOC;VMJGSKDDEIOZHT-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307754;MM307754;CNCC(=C(C)F)C(C)N;HZCGHOJZBDQSLZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307755;MM307755;COCCC(N)(CN)CN;ATNIIDAWSFDSNP-UHFFFAOYSA-N;147.22;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307756;MM307756;CNCC(=C(C)C)C(C)O;YLZIESZKWZGXKV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307757;MM307757;COCCC(N)(CN)CO;SKLSTBDWVRJXTO-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307758;MM307758;CNCC(=C(C)C)C(F)F;LCQLQYDEWAKSCV-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307759;MM307759;COCCC(N)(CO)CO;HBAZNLVFZFDEDF-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307760;MM307760;CNCC(=C(C)F)C(F)F;JVSBZYSMBVIASH-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307761;MM307761;CCC(O)(CC)CCOC;ZSWMUQIOQJIZBC-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307762;MM307762;CC(C)=C(CC=O)C(C)C;HHBQAOYJIRNUQR-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307763;MM307763;COCCC(O)(CN)CO;LFRMXAGTJGDDKH-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307764;MM307764;CC(F)=C(CC=O)C(C)C;HNUTYACUBGTHKT-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307765;MM307765;COCCC(O)(CO)CO;YXVPBUKOAKPWNC-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307766;MM307766;CC(C)C(CC=O)=C(F)F;PSXCETXJCBUCTE-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307767;MM307767;CCC(F)(CC)CCOC;VXXONVKINKNRQU-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307768;MM307768;C=CCC(=C(C)F)C(C)N;RKRMPLVUNIBZFB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307769;MM307769;CCC(F)(CN)CCOC;TWLFUDBHVKFYCC-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307770;MM307770;CC(C)=C(CC=O)C(C)O;ZIBVHKUGTUZVPJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307771;MM307771;COCCC(F)(CN)CN;HFXLBNNAMHEMJZ-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307772;MM307772;CC(F)=C(CC=O)C(C)O;DRLJCQYDQUMLEB-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307773;MM307773;CCCCC(C)(CC)NC;LLZSFPRPYGUQOQ-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307774;MM307774;CC(C)=C(CC=O)C(C)F;DBOLOYFVLLCMJM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307775;MM307775;CCC(C)(CCCO)NC;HINKSNDTLUYTEZ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307776;MM307776;CC(F)=C(CC=O)C(C)F;JHPJPZSQGGOMEH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307777;MM307777;CNC(C)(CO)CCCO;KCGXXJYFXRBPHU-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307778;MM307778;CC(F)C(CC=O)=C(F)F;BEXDDVDBKWQIAB-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307779;MM307779;CCCCC(C)(CF)NC;QKKSCDUEYOQWPT-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307780;MM307780;CC(C)=C(CC=O)C(F)F;LIWKMHPEIZMFMH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307781;MM307781;CNC(C)(CF)CCCN;JYLWWAJLNDJBFZ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307782;MM307782;CC(F)=C(CC=O)C(F)F;XTZVRVPVGUVRFZ-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307783;MM307783;CCC(C)(CCOC)NC;LXANPRNPNGAXPQ-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307784;MM307784;CC(C)=C(NC=O)C(C)C;DIQCHOVEVDTQRH-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307785;MM307785;CNC(C)(CO)CCOC;PBLNFCNLOYMYJU-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307786;MM307786;CC(F)=C(NC=O)C(C)C;YNFKHZIDWRLAPI-UHFFFAOYSA-N;145.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307787;MM307787;CCCCC(C)(CC)OC;AVUQKWATVIZTLZ-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307788;MM307788;CC(F)=C(NC=N)C(C)N;AFRBCNSGIWCMLK-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307789;MM307789;CCC(C)(CCCO)OC;MZKSXAZXQRFRFJ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307790;MM307790;CC(F)=C(NC=O)C(C)N;XHZUGWGKVQNNAR-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307791;MM307791;CCC(C)(CCCF)OC;DGCSZKDDIGGSNI-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307792;MM307792;CC(O)C(NC=O)=C(F)F;FWJAOUQPMDWRAJ-UHFFFAOYSA-N;151.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307793;MM307793;COC(C)(CN)CCCO;VNHPSFNSCZIJRF-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307794;MM307794;CC(C)=C(NC=O)C(C)F;XNIBFFAEUXPHGK-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307795;MM307795;CCC(C)(CCOC)OC;NHORDLBQZKUAFF-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307796;MM307796;CC(N)C(OC=O)=C(F)F;VXPDQMCESOFMBF-UHFFFAOYSA-N;151.11;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307797;MM307797;COCCC(C)(OC)OC;DIQSNTFKLAYVOT-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307798;MM307798;CC(C)=C(OC=O)C(F)F;PEIZAGRTCKEOJD-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307799;MM307799;CCNCC(C)(CC)CC;BFIHQZJEXOFDFD-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307800;MM307800;C=C(C)C(CCO)=C(C)F;DNUJSDOYGIFDKF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307801;MM307801;CCNCC(C)(CC)CF;QWZOTKLDDCLYCX-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307802;MM307802;C=C(C)C(CCF)=C(C)F;LHWFFYRKFOMMQU-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307803;MM307803;CCNCC(C)(CN)CN;MGAQQLXKGISQMW-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307804;MM307804;C=C(C)C(CCN)=C(F)F;KETFVSROSGLQTO-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307805;MM307805;CCNCC(C)(CF)CF;GDQPUMOJWLYOMQ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307806;MM307806;C=C(C)C(CCF)=C(F)F;WTMNUUSSUSTVMP-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307807;MM307807;CCNCC(N)(CC)CN;LHTZTGVFXQCEFK-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307808;MM307808;CC(=O)C(CCO)=C(C)C;CZOHEGYDBNPYGZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307809;MM307809;CCNCC(N)(CN)CN;MREMWEKNCPGFCO-UHFFFAOYSA-N;146.24;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307810;MM307810;CC(=O)C(CCF)=C(C)F;NPSZSTPOCYFFKD-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307811;MM307811;CCNCC(N)(CO)CO;ORKIKWDNXDDVLI-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307812;MM307812;CC(=O)C(CCO)=C(F)F;RJWQQNLXEWSNQZ-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307813;MM307813;CCNCC(O)(CC)CC;SZHUATXEZJGJEY-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307814;MM307814;CC(C)=C(CCO)C(=N)N;UBLXWWADTJFNKQ-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307815;MM307815;CCNCC(O)(CC)CN;UKKUIGVAIBADTK-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307816;MM307816;CC(C)=C(CCF)C(=N)N;DFEJUTWZRGENPN-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307817;MM307817;CCNCC(O)(CN)CN;GWOGAPDRCYLFGL-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307818;MM307818;CCCC(C(=N)N)=C(C)N;RKXIRIPRDANPFS-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307819;MM307819;CCNCC(O)(CN)CO;LWLNWAHBFJLIGX-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307820;MM307820;CC(F)=C(CCO)C(=N)N;RPXNBKVBAMCARB-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307821;MM307821;CCNCC(O)(CO)CO;BHHKHPHNDYEYOX-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307822;MM307822;CC(F)=C(CCF)C(=N)N;RKPFUVSFHODDAQ-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307823;MM307823;CCNCC(F)(CC)CC;ARTYIKLMZSUMNL-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307824;MM307824;CCC(C)(C)C(=O)NC;WUAHBBHXEMXBET-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307825;MM307825;CCNCC(F)(CC)CF;JOBLIICAVIHZGX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307826;MM307826;CC(C)=C(CCN)C(N)=O;WKBREMBUXKUCQO-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307827;MM307827;CCNCC(F)(CN)CF;LJSHRLUVFRXJBY-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307828;MM307828;CCNCC(C)(CO)NC;IRHRWELUSQSOIF-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307829;MM307829;C=CC(C)CC(=O)NC;SNBYKNZSVXMBIT-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307830;MM307830;CCNCC(C)(CN)OC;CTQWDCKYXIIBNQ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307831;MM307831;CC(F)=C(CCO)C(N)=O;MKWGGCWZPFQELK-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307832;MM307832;CCNCC(C)(OC)OC;SECWEXFGWJCLIX-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307833;MM307833;CC(F)=C(CCF)C(N)=O;ODLFTUBHBRHUPB-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307834;MM307834;CCOCC(C)(CC)CC;YRJPPNDHMXVFAF-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307835;MM307835;CCCC(C(=O)O)=C(C)C;YFRPLKRYAZQAEX-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307836;MM307836;CCOCC(C)(CC)CO;CZSTXSYWFKRJBS-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307837;MM307837;CC(C)=C(CCF)C(=O)O;ROFFOADJEZGDDP-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307838;MM307838;CCOCC(C)(CO)CO;WQZHBMSLAPZCRZ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307839;MM307839;CCCC(C(=O)O)=C(C)F;UJNBBKBYUILFHQ-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307840;MM307840;CCOCC(N)(CC)CC;CEKBZGHZZZIYQY-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307841;MM307841;CC(F)=C(CCF)C(=O)O;QESSXLPNRHOUNA-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307842;MM307842;CCOCC(N)(CN)CO;BTGMFBHWJLVYFP-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307843;MM307843;CCCC(C(=O)O)=C(F)F;WQEZNDZYWSRWQT-UHFFFAOYSA-N;150.12;2.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307844;MM307844;CCOCC(N)(CO)CO;RMHPQKBFEKOKFV-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307845;MM307845;O=C(O)C(CCF)=C(F)F;LWZFJGOBLYBALC-UHFFFAOYSA-N;154.09;1.58;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307846;MM307846;CCOCC(O)(CC)CC;WTKAEXCRUJIHSL-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307847;MM307847;C=C(F)C(CCF)=C(C)C;IZEMMKBRYTZLRD-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307848;MM307848;CCOCC(O)(CO)CO;AHYWCHQAFAVALO-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307849;MM307849;C=C(F)C(CCN)=C(C)F;IQNZWTITJVKFED-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307850;MM307850;CCOCC(F)(CC)CC;KCGYVPDLQCPFDX-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307851;MM307851;C=C(F)C(CCF)=C(C)F;RLUVVAHNMBMJDN-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307852;MM307852;CCOCC(C)(CN)NC;CAGASARYPXDOJF-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307853;MM307853;C=C(C)C(CNC)=C(C)C;WJYGDFXOYZVILA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307854;MM307854;CCOCC(C)(OC)OC;OOJZZTZSUCDNEV-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307855;MM307855;C=C(C)C(CNC)=C(F)F;KVMICCZSLCQACI-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307856;MM307856;CCCNC(C)(CC)CC;RQUJTDXBBMPCFO-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307857;MM307857;CNCC(C(C)=O)=C(N)N;BFYCQYIVJALOIS-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307858;MM307858;CCC(C)(CC)NCCN;LSJXYBSFLWZXEH-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307859;MM307859;CNCC(C(=N)N)=C(C)C;IWECMYQDJTVFBI-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307860;MM307860;CCC(C)(CC)NCCF;GHSOXRVMOQGAAG-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307861;MM307861;CNCC(C(N)=O)=C(C)C;UPAUNYMAKFKCMO-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307862;MM307862;CCC(C)(CN)NCCN;BZLUPALQNPZDEJ-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307863;MM307863;CNCC(C(N)=O)=C(C)F;ZJVFJEIADNKWAX-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307864;MM307864;CCC(C)(CN)NCCO;YFSLSVYVWIRCPI-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307865;MM307865;C=C(F)C(CNC)=C(C)C;ZSOVKNUARWHFSH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307866;MM307866;C=C(F)C(CNC)=C(C)F;BEKBGVZVMFEXAJ-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307867;MM307867;CCC(C)(CO)NCCN;CETOGJRJGAGCRV-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307868;MM307868;COCC(C(=N)N)=C(C)N;YHIKLHAZZZJRST-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307869;MM307869;CCC(C)(CO)NCCO;RZSBYVCGLIYQKP-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307870;MM307870;COCC(C(=N)N)=C(N)N;ROBWGQRMZYYWTF-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307871;MM307871;CC(CN)(CN)NCCN;IWLJEQYMPFZOTG-UHFFFAOYSA-N;146.24;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307872;MM307872;C=NNCCCC(N)=O;RPGHECWZHJPNCH-UHFFFAOYSA-N;129.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307873;MM307873;CC(CN)(CN)NCCO;KLLRKFPQQAWVKA-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307874;MM307874;Nn1nnc(O)nc1=NO;UIEBAWCJMGJALE-UHFFFAOYSA-N;144.09;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307875;MM307875;CC(CN)(CN)NCCF;GYBJMVKWQMNXFI-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307876;MM307876;CCOC(C(C)=O)=C(N)N;PSTZYRMTHRAQPB-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307877;MM307877;CCCNC(C)(CN)CO;XACYFRKPWXRNGV-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307878;MM307878;CCOC(C(=N)N)=C(C)N;HZCAOFRTXZNCMO-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307879;MM307879;CC(CN)(CO)NCCN;HVOVPJCXIFSPSM-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307880;MM307880;CCOC(C(=N)N)=C(C)F;JGHGKYMCHXXGSS-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307881;MM307881;CC(CN)(CO)NCCO;ADMFXSNJUODNPL-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307882;MM307882;CCOC(C(=N)N)=C(F)F;MDMOQTPBVXOADM-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307883;MM307883;CC(CN)(CO)NCCF;IETJJGIIPDRAKN-UHFFFAOYSA-N;150.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307884;MM307884;NN=CCCCC(N)=O;VVGFYQQITBSAOX-UHFFFAOYSA-N;129.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307885;MM307885;CCCNC(C)(CN)CF;WIVZFMKDMBAMKA-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307886;MM307886;CCOC(C(N)=O)=C(C)N;LWMLVNOMHZPFFL-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307887;MM307887;CCOC(C(N)=O)=C(C)F;AXHYDTNXHVJZAC-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307888;MM307888;CC(CN)(CF)NCCF;JSCXKVSWUFAICX-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307889;MM307889;CCOC(C(N)=O)=C(F)F;OAIGBGSHBJEGPY-UHFFFAOYSA-N;151.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307890;MM307890;CCCNC(C)(CO)CO;HPAKZNLAYHQXAN-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307891;MM307891;O=c1[nH]c(=NO)[nH]n1O;RPOUHSWHVITUDP-UHFFFAOYSA-N;132.08;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP5";;;;;;;-3.09;;-11.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307892;MM307892;CC(CO)(CO)NCCN;RGFHSJBMZSPRES-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307893;MM307893;C=C(C)C(CC=O)=C(C)F;LBDQPKZNVZZNCY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307894;MM307894;CC(CO)(CO)NCCO;HQEMPHNKLPJTPX-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307895;MM307895;C=C(C)C(CC=O)=C(F)F;SRYUUGDJMSMACD-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307896;MM307896;CC(CF)(CF)NCCN;ZCWFCYKSDNATCX-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307897;MM307897;CC(=O)C(CC=O)=C(C)C;WYZJIYBQXQLFKH-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307898;MM307898;CC(CF)(CF)NCCF;HCIMBCRZJDBMFH-UHFFFAOYSA-N;155.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307899;MM307899;CC(=O)C(CC=O)=C(C)F;PMDASUPZXFHXHH-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307900;MM307900;CCCOC(C)(CC)CC;AYARPFNEZCVOHL-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307901;MM307901;C=CCC(C(=N)N)=C(C)C;AFHJFOSCFCXBDN-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307902;MM307902;CCC(C)(CC)OCCF;AVHRNYGRQREQHC-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307903;MM307903;CC(N)=C(CC#N)C(=N)N;KCYQIHSAMUVRKO-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307904;MM307904;CCCOC(C)(CC)CN;LFIVOROXFYLYIC-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307905;MM307905;C=CCC(C(=N)N)=C(C)F;NAPTYJYYKXCMRB-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307906;MM307906;CCC(C)(CN)OCCN;NZZPKFNJRPAVNT-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307907;MM307907;N#CCC(C(=N)N)=C(N)N;MOFMJMJWZUTXBK-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307908;MM307908;CC(CN)(CN)OCCF;OWTVDCQYJPYLQL-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307909;MM307909;CC1(CCNC=O)CC1;LRTFYMLVHMAAQA-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307910;MM307910;CC(CN)(CF)OCCF;DJXCAJOGDGGVPP-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307911;MM307911;C=CC1(C)NC1CC=O;BFMATICRGFDXLG-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307912;MM307912;CC(CO)(CO)OCCN;GOKNVDIKXXTSRE-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307913;MM307913;CC(F)=C(CC=O)C(N)=O;NUTIUHXJVDHLTJ-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307914;MM307914;CC(CO)(CO)OCCF;MNLUTTMRRGUZPI-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307915;MM307915;N#CCC(C(N)=O)=C(N)N;QPYYPVJAELEHPD-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307916;MM307916;CCC(C)(CN)OCOC;CUKICLKVBHMASW-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307917;MM307917;C=CCC(C(=O)O)=C(C)C;KZXPAPHEZBFPOP-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307918;MM307918;COCOC(C)(CN)CN;ZWVJDRHJLZKOHA-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307919;MM307919;CCCC1=NC(=CO)C=N1;MXQJMDNOHKRRIT-UHFFFAOYSA-N;138.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307920;MM307920;COCOC(C)(CO)CO;MAXAPHLUGDNYKN-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307921;MM307921;CC(F)=C(CC#N)C(=O)O;XBSYZTVSGVOLPS-UHFFFAOYSA-N;143.12;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307922;MM307922;COCOC(C)(CO)CF;MBGGPEJSBKJRKI-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307923;MM307923;C=C(F)C(CC=O)=C(C)C;XWPDZQOJQUFXGT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307924;MM307924;COCOC(C)(CF)CF;BIHCUTHRJKGFCQ-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307925;MM307925;C=C(F)C(CC=O)=C(C)F;USLFBCWCBFUQQH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307926;MM307926;CCC(C)(OC)OCCN;HYRCSATYWWRAFG-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307927;MM307927;CC(N)=C(NC=N)C(=N)N;LTCBHJOZNJAYDV-UHFFFAOYSA-N;141.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307928;MM307928;COC(C)(CN)OCCO;NFRNJDNMGZOPOT-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307929;MM307929;CC(F)=C(NC=N)C(=N)N;NVULQWBIOYOCOY-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307930;MM307930;COC(C)(CN)OCCF;CURNGJKYBXKTRG-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307931;MM307931;CC(F)=C(NC=O)C(=N)N;CQPNJSQLKCDFPP-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307932;MM307932;COC(C)(CO)OCCN;SKKIWQKGMIAFCB-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307933;MM307933;N=CNC(C(=N)N)=C(N)N;AYYQPPJYHFQNDP-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307934;MM307934;COC(C)(CO)OCCO;XEZNEVDGRSEMKP-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307935;MM307935;N=C(N)C(NC=O)=C(N)N;FELXYVJBYGAXCF-UHFFFAOYSA-N;143.15;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307936;MM307936;COC(C)(CF)OCCN;YCLFHQVALDAOGI-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307937;MM307937;CC(N)=C(N=CN)C(N)=O;COVYBMAFJJGUNO-UHFFFAOYSA-N;142.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307938;MM307938;CCC(C)(OC)OCOC;NMUUPTMJMPIVMQ-UHFFFAOYSA-N;148.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307939;MM307939;CC(N)=C(NC=O)C(N)=O;WRAXLQBBEDOQNI-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307940;MM307940;C=CCCC(C)(CC)CC;JRQQQKOHFKSBHZ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307941;MM307941;CC(F)=C(NC=O)C(N)=O;OLNNODKUANYHGI-UHFFFAOYSA-N;146.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307942;MM307942;CCC(C)(CC)CCC=O;KGDZILRWKLIQHS-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307943;MM307943;CNC(C)=C(OC)C(=O)O;VIAWTJADAYKKFX-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307944;MM307944;CCC(C)(CC)CCC#N;CMDXFESPYRAQQU-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307945;MM307945;C=CCCC(C)(CC)CN;CKNWPHZZRWWHED-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307946;MM307946;NC(=CC(=O)O)C(F)F;VNLIMQCOGZOAEV-UHFFFAOYSA-N;137.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307947;MM307947;CN(C)C(=O)CCC=O;OXQZTLTUQUOYQM-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307948;MM307948;CC(=O)C(OC=O)=C(C)F;NRLAIZAMMMEMLX-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307949;MM307949;C=CCCC(C)(CN)CF;LYORPQJMJRGBIE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307950;MM307950;C=COC(C(=N)N)=C(C)C;VJXGXQJEXRMZMJ-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307951;MM307951;CC(CO)(CO)CCC=O;DPDPEAJLQDVONH-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307952;MM307952;N=C(N)C(OC=O)=C(N)N;NZSGZGPRSPJMOZ-UHFFFAOYSA-N;144.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307953;MM307953;C=CCCC(N)(CC)CC;DPFLWOLOJCJRGR-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307954;MM307954;CC(C)=C(OC=O)C(N)=O;DASGEOZKACRDNJ-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307955;MM307955;C=CCCC(N)(CC)CN;QDSKIQSEOZWOAH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307956;MM307956;CC(N)=C(OC=O)C(N)=O;KALRPKZZVUNRMO-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307957;MM307957;C=NN=C(CF)NN=C;CQMIYGSUILHKOJ-UHFFFAOYSA-N;130.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307958;MM307958;C=COC(C(N)=O)=C(C)F;MBYTXORETRKDHV-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307959;MM307959;CCC(O)(CC)CCC=O;VIWMUQILZSPBOK-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307960;MM307960;CC(F)=C(OC=O)C(N)=O;XYTODICPRYYQPE-UHFFFAOYSA-N;147.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307961;MM307961;CCC(O)(CC)CCC#N;AIFNOCYXXIMRNP-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307962;MM307962;C=COC(C(N)=O)=C(N)N;ZXMICHWPDJJBMY-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307963;MM307963;O=CCCC(O)(CO)CO;NZPKNGWOGVFIEO-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307964;MM307964;NC(=O)C(OC=O)=C(N)N;WFXHZCOXWOKJLQ-UHFFFAOYSA-N;145.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307965;MM307965;CCC(F)(CC)CCC=O;IBUGSHCXRRFPKB-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307966;MM307966;CON=C(CC(=O)O)NO;FVNIDAIIENVPAU-UHFFFAOYSA-N;148.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307967;MM307967;CCC(F)(CC)CCC#N;CPVOICDINXRKAR-UHFFFAOYSA-N;143.21;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307968;MM307968;C#CCC(C(C)=O)=C(C)N;ORBDTBUUYVGPQK-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307969;MM307969;C=CCCC(F)(CC)CN;IWFUFCJCEXGWBU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307970;MM307970;Cn1nc(N)c(F)c1N;NBDQCZDCYOEOBN-UHFFFAOYSA-N;130.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307971;MM307971;CCC(F)(CF)CCC=O;AMFYFQVEOKFFSP-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307972;MM307972;C#CCC(C(=O)O)=C(C)F;KJGMZIRCNADWKH-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307973;MM307973;O=CCCC(F)(CF)CF;FOIZFAFNJICDKT-UHFFFAOYSA-N;154.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307974;MM307974;CC(F)=C(C=CF)C(C)N;PJBUWOPIMIXUFA-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307975;MM307975;CCC(C)(CCC=O)NC;AUMBAJDOINWTIZ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307976;MM307976;CC(N)C(C=CF)=C(F)F;NRFRFFGIBSELSK-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307977;MM307977;C=CCCC(C)(CF)NC;HQTPBZAECUOHEG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307978;MM307978;CC(C)=C(C=NN)C(C)C;ILVXHBDGFRJABV-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307979;MM307979;CNC(C)(CF)CCC=O;ZVDWKWWBGSMVFF-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307980;MM307980;Cc1c(N)c(N)cn1O;UUPJUPLLUUWPGQ-UHFFFAOYSA-N;127.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307981;MM307981;COC(C)(CCC=O)OC;MYJRBYOSWDFTJW-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307982;MM307982;C#CCNC(C#N)C=O;IOENMRAHCNXWFH-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307983;MM307983;CC12NC1CC(=O)C2=O;PWUITOQNBIUZBY-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307984;MM307984;O=CNCCCC1CC1;CRFJVVTVXHCMJJ-UHFFFAOYSA-N;127.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307985;MM307985;CCC(C)(CF)CNC=N;FSLDTABKZVXFOT-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307986;MM307986;CC(C)=C(C=NO)C(C)F;CRODDPCDZLEVCG-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307987;MM307987;CC(CN)(CN)CNC=N;CIZDDFSOWOFVGV-UHFFFAOYSA-N;144.22;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307988;MM307988;CC(C)=C(C=NN)C(F)F;WJPAIUWGMXETDL-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307989;MM307989;CC(CN)(CN)CNC=O;CPPXAPUFWWVRHL-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307990;MM307990;CC(C)=C(C=NO)C(F)F;RUNFFRABIFSECF-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307991;MM307991;CC(CN)(CO)CNC=N;UXHVQHVYVYVUDD-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307992;MM307992;CC(=O)C(C=CF)=C(C)C;PFMPEODULIFCDB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307993;MM307993;CC(CN)(CO)CNC=O;NDBUQXDWADXPGP-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307994;MM307994;CC(=O)C(C=CF)=C(C)N;CZWCSCBNPRRLPA-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307995;MM307995;CC(CO)(CO)CNC=N;SPNFUTYHCQLJJG-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307996;MM307996;CC(C)(C)OC=CC(N)=O;LAYIKLAGRXGLTR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307997;MM307997;CC(CO)(CO)CNC=O;KYAAQUPLGIRQGN-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307998;MM307998;CC=CC(C(C)=O)=C(F)F;WYMNZAFMORAQNB-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM307999;MM307999;CC(CF)(CF)CNC=O;ZOKIFGZWYWAAIV-UHFFFAOYSA-N;151.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308000;MM308000;CC(C)=C(C=CF)C(=N)N;KTRXKOUFKFKVHP-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308001;MM308001;CCC(N)(CO)CNC=N;BBMIMXBFWXJCQB-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308002;MM308002;CC=CC(C(=N)N)=C(C)N;WOFPAHBYEXGOKW-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308003;MM308003;CCC(N)(CO)CNC=O;UMZRELIAWRAAOQ-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308004;MM308004;CC(N)=C(C=CF)C(=N)N;NNRANSLNYNVIPD-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308005;MM308005;N=CNCC(N)(CN)CN;NSTCHZZWRAHFBB-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308006;MM308006;C#CC(C)CC(=C)C(N)=O;XGZPGLOUYFVHOJ-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308007;MM308007;NCC(N)(CN)CNC=O;RMFJTBGLCPFZEE-UHFFFAOYSA-N;146.19;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308008;MM308008;CCCC(=O)NCC(C)C;PZDWBPCVLDKVPZ-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308009;MM308009;NCC(N)(CO)CNC=O;DAQMAEVVKUOPNE-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308010;MM308010;C=C(C)C(C=NN)=C(F)F;IDDBEKPXAOUSQP-UHFFFAOYSA-N;146.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308011;MM308011;N=CNCC(N)(CO)CO;KYZWWPYROMCBDZ-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308012;MM308012;CC(=O)C(C=NO)=C(C)C;NFNOAZLEFQKUDZ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308013;MM308013;NC(CO)(CO)CNC=O;OFJTWPRNKVYRHS-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308014;MM308014;CC(C)=C(C=NO)C(N)=O;HYUANDPMHTZBNJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308015;MM308015;CCC(O)(CC)CNC=O;MQONKRLIMWRJNA-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308016;MM308016;CC(O)CCCC(=O)CF;XOGAKDZGTPITLL-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308017;MM308017;CCC(O)(CN)CNC=N;NVSGTTCCSQXAFQ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308018;MM308018;CC#CC(C(=N)N)=C(C)F;WNJUYRJINMTGHQ-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308019;MM308019;CC#CC(C(=N)N)=C(N)N;JOIZHTODMCTFKD-UHFFFAOYSA-N;138.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308020;MM308020;N=CNCC(O)(CN)CN;QCHSGYRKQISNJX-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308021;MM308021;CC#CC(C(N)=O)=C(C)F;DXUKAGPFUBGNOC-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308022;MM308022;NCC(O)(CN)CNC=O;OOSGXBFDSMRCOX-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308023;MM308023;CC#CC(C(N)=O)=C(N)N;ZZRFSKWANRYKSP-UHFFFAOYSA-N;139.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308024;MM308024;N=CNCC(O)(CN)CO;VOIZCDNKDHDLLM-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308025;MM308025;CC(C)C(C(C)C)C(C)C;YVYHOOYMDHZALB-UHFFFAOYSA-N;142.29;3.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308026;MM308026;NCC(O)(CO)CNC=O;UXZPROHZJJTZFE-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308027;MM308027;CC(C)C(C(C)C)C(C)N;PPTBHUKUOFKJCV-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308028;MM308028;N=CNCC(O)(CO)CO;JTKMXGIEOIQDAV-UHFFFAOYSA-N;148.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308029;MM308029;CNC(=O)C(C)=CC(C)C;BPWXVZYRBFXUCE-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308030;MM308030;O=CNCC(O)(CO)CO;FTTQHTVCIJLWOQ-UHFFFAOYSA-N;149.15;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308031;MM308031;CC(C)C(C(C)C)C(C)F;MOHCHPMTLXZTDH-UHFFFAOYSA-N;146.25;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308032;MM308032;O=CNCC(O)(CO)CF;KIWACVFJRSNSTO-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308033;MM308033;CC(C)C(C(C)N)C(C)F;ZNHZNLUBQVUCNQ-UHFFFAOYSA-N;147.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308034;MM308034;CCC(F)(CC)CNC=N;PPMIRTINXWDDDJ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308035;MM308035;CC(C)C(C(C)N)C(F)F;RFFVJEDCQORMJE-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308036;MM308036;CC=NN1CC(C=O)C1;VEWZEDCPIRNMBS-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308037;MM308037;CC(C)C(C(C)O)C(C)F;ABZVPJIPUWDCIN-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308038;MM308038;CC(C)C(C(C)F)C(C)F;ZVEVJSOHPAAVHC-UHFFFAOYSA-N;150.21;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308039;MM308039;CCC(F)(CO)CNC=O;YMCWUZFXASSGRP-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308040;MM308040;CC(C)C(C(C)F)C(F)F;ALAFXQXHEKFBSV-UHFFFAOYSA-N;154.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308041;MM308041;N=CNCC(F)(CO)CO;SFCPMTJBPZMUHO-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308042;MM308042;CC(C)C(C(F)F)C(F)F;DWUOXAAHSLYHFG-UHFFFAOYSA-N;158.14;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308043;MM308043;O=CNCC(F)(CO)CO;PXATTXYWDPLWKI-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308044;MM308044;CC(N)C(C(C)N)C(C)N;DEFPOVCYTKADEB-UHFFFAOYSA-N;145.25;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308045;MM308045;N=CNCC(F)(CO)CF;CIGNQXWFWVSOCJ-UHFFFAOYSA-N;152.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308046;MM308046;CC(N)C(C(C)N)C(C)O;YHPWLPCACNVHEU-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308047;MM308047;O=CNCC(F)(CO)CF;ZBPLZQDHNLGOAY-UHFFFAOYSA-N;153.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308048;MM308048;CC(O)C(C(C)O)C(C)O;OBVSEMBBRJCAMK-UHFFFAOYSA-N;148.2;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308049;MM308049;C=NNCC(C)(CC)CC;OSOUVDMMOAXFRD-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308050;MM308050;CC(O)C(C(C)F)C(C)F;FSVXESBJAZCUTM-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308051;MM308051;C=NNCC(C)(CC)CN;HMJBZLVQQMDMRP-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308052;MM308052;CC(O)C(C(C)F)C(F)F;ZCLVPONEEVUOEK-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308053;MM308053;OCC1=CCC(CO)C1;ZQBZNBGEJLHJGS-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308054;MM308054;CC(F)C(C(C)F)C(F)F;FYMPEDYVDIDLJL-UHFFFAOYSA-N;158.14;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308055;MM308055;C=NNCC(N)(CC)CC;OQCBYHCZDZHJRX-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308056;MM308056;CC(C)C(C(C)C)N(C)C;SWIVDNYSVCBPDH-UHFFFAOYSA-N;143.27;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308057;MM308057;C=NNCC(N)(CC)CO;VFIOQZYYXBVFHF-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308058;MM308058;CC(C)C(C(C)O)N(C)C;AGBFMXFZVJALQC-UHFFFAOYSA-N;145.25;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308059;MM308059;C=NNCC(N)(CN)CN;IXYROYXJHQTOOZ-UHFFFAOYSA-N;145.21;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308060;MM308060;CC(C)C(C(C)F)N(C)C;FBKKWUDYYAYYMY-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308061;MM308061;C=NNCC(N)(CN)CO;FPACMWMVOIAPHU-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308062;MM308062;CC(N)C(C(F)F)N(C)C;GKZYZJJIQXYNMU-UHFFFAOYSA-N;152.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308063;MM308063;OCC1=CC(CO)CC1;GUMBGYWEZJUGJG-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308064;MM308064;CC(C)N(C(C)C)C(C)C;RKBCYCFRFCNLTO-UHFFFAOYSA-N;143.27;2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308065;MM308065;C=NNCC(O)(CN)CN;WQCUVSMIYVSJKJ-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308066;MM308066;CC(C)C(C(=N)N)C(C)C;WIAGRDCPBIUHBK-UHFFFAOYSA-N;142.25;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308067;MM308067;C=NNCC(O)(CN)CO;GLQHSKDRYUAXTK-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308068;MM308068;C=CC(=CC(N)=O)CCO;VQEDEJKBUXTBNQ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308069;MM308069;CNc1cc(OC)on1;IDPHNESOFMOBLR-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308070;MM308070;CC(C)C(C(=O)O)C(C)C;GSZKHLKKYPBXKM-UHFFFAOYSA-N;144.21;2;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308071;MM308071;C=C(CO)C1CC1CO;KXLRXBNRKONPHC-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308072;MM308072;C=C(F)C(C(C)C)C(C)C;BYPIBQIJEADAMX-UHFFFAOYSA-N;144.23;3.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308073;MM308073;CC(O)CC=CC(=O)CF;BAVQDAKZUGVUMB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308074;MM308074;C=C(C)C(C(C)C)C(C)N;KXISLDVTORGBON-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308075;MM308075;CNC(C)(CN)CNC=O;AXYCSLTVOMLHNO-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308076;MM308076;C=C(F)C(C(C)C)C(C)N;LUPOODOCRVWDDV-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308077;MM308077;CNC(C)(CO)CNC=N;OSOMQHVKHNQUFG-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308078;MM308078;N=C(CC(=O)O)NC=O;VFFRJPVQGAVSKI-UHFFFAOYSA-N;130.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308079;MM308079;C=NNCC(C)(CC)NC;MBCADERGRHRIND-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308080;MM308080;C=C(C)C(C(C)C)C(C)F;FFNXVUVIUVNNQS-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308081;MM308081;C=NNCC(C)(CN)NC;ZAHZDVFUAYOFMT-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308082;MM308082;CC(=O)C(C(C)C)C(C)F;LXVMXUCAPGHOPL-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308083;MM308083;C=NNCC(C)(CO)NC;ZACYBHDCWDCUSN-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308084;MM308084;CC(C)C(C(=N)N)C(C)F;XXMHBCTVMIEZGX-UHFFFAOYSA-N;146.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308085;MM308085;COC(C)(CN)CNC=N;AMTPGJJUWIBVIO-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308086;MM308086;CC(C)C(C(N)=O)C(C)F;RWIZNBFSWHSHBL-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308087;MM308087;COC(C)(CO)CNC=O;KBORKKUMENMWGM-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308088;MM308088;CC(C)C(C(=O)O)C(C)F;PSVMCEKTDIQKBE-UHFFFAOYSA-N;148.18;1.7;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308089;MM308089;C=CC(=CC(N)=O)NCC;XYKQBQQDGMGAPL-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308090;MM308090;C=C(C)C(C(C)C)C(F)F;IJPIJDFUPKUNJI-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308091;MM308091;CC(C)C(C(=O)O)C(F)F;CROGKHYMIQYHLF-UHFFFAOYSA-N;152.14;1.61;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308092;MM308092;C=NNCC(C)(CF)OC;XDVRAFAMRMJKOU-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308093;MM308093;C=C(F)C(C(C)C)C(F)F;DWWCRYNLAFMEKO-UHFFFAOYSA-N;152.16;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308094;MM308094;C=COCC(C)(CC)CC;CYVVXMWSAJVOOK-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308095;MM308095;CC(N)C(C(=N)N)C(C)F;ZGOXRGIRPBTQDJ-UHFFFAOYSA-N;147.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308096;MM308096;CCC(C)(CC)COC=O;ZQAKVDYTYGXXNW-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308097;MM308097;C=C(C)C(C(C)N)C(F)F;UKCSLCYMWDWPQM-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308098;MM308098;C=COCC(C)(CC)CN;YJAXOSZFSHCVNG-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308099;MM308099;CC(=O)C(C(C)O)C(C)O;CMJADYUVOZOTLN-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308100;MM308100;CCC(C)(CN)COC=O;QUECRUMLWXZRCU-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308101;MM308101;C#CC(C=CC(=O)O)=NN;RXTGNJYNIPJGFQ-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308102;MM308102;C=COCC(C)(CC)CO;IVQQVCXRXULCIZ-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308103;MM308103;C=C(C)C(C(C)O)C(C)F;UUPHBMXSBNKMDW-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308104;MM308104;CCC(C)(CF)COC=O;ZJRRDIODTYDYFB-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308105;MM308105;CC(O)C(C(=N)N)C(C)F;XXEKNZOMQFMQBH-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308106;MM308106;C=COCC(C)(CN)CN;FTTBLIOPZVIWRT-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308107;MM308107;CC(=O)C(C(C)O)C(F)F;BERPMTXBGJBBOM-UHFFFAOYSA-N;152.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308108;MM308108;CC(CN)(CN)COC=O;UFWIOJQLSGDSKI-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308109;MM308109;N=Cn1cc(O)nn1;UKEIRGZFMXZEGK-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308110;MM308110;C=COCC(C)(CN)CO;WPOBPRCHFUBXOI-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308111;MM308111;C=C(C)C(C(C)F)C(C)F;FJHCOQINOZPINO-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308112;MM308112;CC(CO)(CO)COC=O;ZXEYLIDTQGAVBA-UHFFFAOYSA-N;148.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308113;MM308113;CC(F)C(C(N)=O)C(C)F;MDXSGWBXPQYKAW-UHFFFAOYSA-N;151.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308114;MM308114;CC(CF)(CF)COC=O;CYOQJNYJKVJDGA-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308115;MM308115;CC(F)C(C(=O)O)C(C)F;OOLOSIFJQKABDO-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308116;MM308116;C=COCC(N)(CC)CC;DANHKIOXYHDDKU-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308117;MM308117;C=C(F)C(C(C)F)C(C)F;VSSNPDFSYLXGMY-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308118;MM308118;CCC(N)(CC)COC=O;WJDQDGWGKZTUIU-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308119;MM308119;C=C(C)C(C(C)F)C(F)F;ROKNWMFQIBNIOP-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308120;MM308120;C=COCC(N)(CC)CN;DMOSHOZQODZJRP-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308121;MM308121;C=C(F)C(C(C)F)C(F)F;QOFUSDQNRPYKGP-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308122;MM308122;CCC(N)(CO)COC=O;SADSPHVUEYMQSF-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308123;MM308123;C=C(C)C(C(F)F)C(F)F;PTESWSGSAIGEOV-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308124;MM308124;NCC(N)(CN)COC=O;VKKWHNXUZHTWQG-UHFFFAOYSA-N;147.18;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308125;MM308125;C=C(C)C(C(C)C)N(C)C;JVSJLMOQQHYMSM-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308126;MM308126;C=COCC(N)(CN)CO;RCYWLKZQLMMLBH-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308127;MM308127;CC(F)C(C(=N)N)N(C)C;KRWWKDDWSFRHJX-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308128;MM308128;NCC(N)(CO)COC=O;ASMHEKUVLZVUGR-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308129;MM308129;CC(=N)N(C(C)C)C(C)C;ZOYAFVGHWWJVAT-UHFFFAOYSA-N;142.25;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308130;MM308130;C=COCC(N)(CO)CO;ZHCKUBFXXQGUAC-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308131;MM308131;CC(=O)N(C(C)C)C(C)C;ZSUUCLLIOSUIFH-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308132;MM308132;NC(CO)(CO)COC=O;CBUZPVROOCTHQS-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308133;MM308133;C=CCC(C)=CCNC=O;ORWSUJRQDKUVIO-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308134;MM308134;CCC(O)(CC)COC=O;IHVPMINOMWUAGJ-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308135;MM308135;C=C(C)C(C(C)=O)C(C)C;QBLOBMLMBRYUJZ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308136;MM308136;CCC(O)(CN)COC=O;INJDZARAUPKZBL-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308137;MM308137;C=C(C)C(C(=N)N)C(C)C;MNYGBYVZKHULFA-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308138;MM308138;CCC(O)(CO)COC=O;IJFBZJHOSUQUNU-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308139;MM308139;CC=CC(C)=CCNC=O;RTWTWMNXURQRCV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308140;MM308140;C=COCC(O)(CO)CO;OMYPDHOZNGXAKX-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308141;MM308141;C=C(C)C(C(=O)O)C(C)C;GODUZPXFHSPAJX-UHFFFAOYSA-N;142.2;1.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308142;MM308142;O=COCC(O)(CO)CO;QIEYHNUSYRHBFN-UHFFFAOYSA-N;150.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308143;MM308143;CC(=O)C(C(C)=O)C(C)C;BPIHCIRSGQKCLT-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308144;MM308144;O=COCC(O)(CO)CF;LOPHSKBRLUKLJI-UHFFFAOYSA-N;152.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308145;MM308145;C=C(F)C(C(C)=O)C(C)C;RULPUTLGORAFCG-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308146;MM308146;CCC(F)(CN)COC=O;PGWJIEYSPBZHON-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308147;MM308147;C=C(F)C(C(=N)N)C(C)C;LLBSBAKTWRXOMM-UHFFFAOYSA-N;144.19;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308148;MM308148;C=COCC(F)(CN)CO;QWUMIIBMFCLUTH-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308149;MM308149;C=C(F)C(C(N)=O)C(C)C;BFRKPASJWDIFJV-UHFFFAOYSA-N;145.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308150;MM308150;O=COCC(F)(CO)CO;VSTHUURRJMFFTI-UHFFFAOYSA-N;152.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308151;MM308151;CC(C)C(C(=O)O)C(=O)O;DQEUFPARIOFOAI-UHFFFAOYSA-N;146.14;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308152;MM308152;C=NOCC(C)(CC)CC;YBBSTLSYFCBRMV-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308153;MM308153;C=C(F)C(C(=O)O)C(C)C;CXQYYSAKAAXEKW-UHFFFAOYSA-N;146.16;1.83;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308154;MM308154;C=NOCC(C)(CC)CN;PXBWEQIDUKUUSZ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308155;MM308155;C=C(C)C(C(=C)C)C(C)N;RQHZRXAGLBDDJL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308156;MM308156;C=CC(C=C(C)C)C(N)=O;KKDRJXDVYSKPBZ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308157;MM308157;C=C(C)C(C(=N)N)C(C)N;HHVSLGUIEBGIGA-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308158;MM308158;C=NOCC(C)(CN)CN;KKMPJRXDOVYXDG-UHFFFAOYSA-N;145.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308159;MM308159;C=C(C)C(C(N)=O)C(C)N;QCGZDAOFKIVCGQ-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308160;MM308160;C=NOCC(C)(CN)CO;NCFPZZNHOATNDR-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308161;MM308161;C=C(F)C(C(=N)N)C(C)N;YHTJOQHPBNWLQT-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308162;MM308162;C=NOCC(C)(CN)CF;UAJYRKAIJQSUME-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308163;MM308163;C=C(C)C(C(N)=O)C(C)O;JXWPHNJRMNZYPQ-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308164;MM308164;C=NOCC(C)(CF)CF;YTPPAPWSORGJOF-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308165;MM308165;CON=CN(N)CC(=O)O;BJIFPCQTADETAG-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308166;MM308166;C=NOCC(N)(CC)CC;JYGVEOXJLAOJOT-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308167;MM308167;CC(O)C(C(=N)N)C(=N)N;CRSHZTZGHICFPX-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308168;MM308168;C=NOCC(N)(CC)CN;ONEWRSFLRDDJFA-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308169;MM308169;C=C(F)C(C(N)=O)C(C)O;RHVCHEGUKLXVQM-UHFFFAOYSA-N;147.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308170;MM308170;C=NOCC(N)(CN)CO;LESQALYMZCPNED-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308171;MM308171;C=C(C)C(C(C)=O)C(C)F;AMXRGQZYPUMLET-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308172;MM308172;C=CC(C=C)=C(C)C(N)=O;SVJUHEDNBQBRHI-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308173;MM308173;C=C(C)C(C(=N)N)C(C)F;LJCCYBWGXYETKZ-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308174;MM308174;C=NOCC(O)(CN)CN;MJULUOALCREXPV-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308175;MM308175;C=C(C)C(C(=O)O)C(C)F;VBCCOHSUUGOOGV-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308176;MM308176;C=NOCC(O)(CN)CO;UXSNYDOABBQWAT-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308177;MM308177;CC(=O)C(C(C)=O)C(C)F;ACMANNGLZFCWOW-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308178;MM308178;CC=CC(C=CC)C(N)=O;UYLGLIUZCVQKHU-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308179;MM308179;C=C(F)C(C(=O)O)C(C)F;TWTWZGOGMCVUSO-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308180;MM308180;C=C(C)C(C(N)=O)=C(C)C;OQAGOZCHDVJNIZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308181;MM308181;C=C(C)C(C(C)=O)C(F)F;KSKQAJVXNLMVAK-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308182;MM308182;C=NOCC(F)(CC)CC;WOKFWZRYHRSPMP-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308183;MM308183;C=C(C)C(C(=O)O)C(F)F;HAPQGROGQAVTEL-UHFFFAOYSA-N;150.12;1.53;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308184;MM308184;C=NOCC(F)(CN)CN;BQNSTPKVGZTBHX-UHFFFAOYSA-N;149.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308185;MM308185;C=C(C)C(C(=C)F)C(F)F;XKPQWVUWUUYMIZ-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308186;MM308186;C=CC(O)C=CCC=NN;VOVJLPKUNHFMGK-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308187;MM308187;CC(=O)C(C(=N)N)C(F)F;HNEHPAHNNIRYPI-UHFFFAOYSA-N;150.13;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308188;MM308188;C=COCC(C)(CC)NC;JLXINPVZUYDEOQ-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308189;MM308189;NC(=O)C(C(N)=O)C(F)F;NIXFTTNYHZCHEO-UHFFFAOYSA-N;152.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308190;MM308190;CCC(C)(COC=O)NC;IMGDOAMAEJDKMY-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308191;MM308191;C=C(C)C(C(=C)C)N(C)C;GTONBKZNBPBXAH-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308192;MM308192;C=COCC(C)(CN)NC;YHMPHRXLVIMZCX-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308193;MM308193;CN(C)C(C(=N)N)C(=N)N;WWBHIGKEHDTSAI-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308194;MM308194;C=NOCC(C)(CC)NC;SWYOUKXEXQEQBN-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308195;MM308195;CN(C)C(C(=N)N)C(N)=O;SUROHZHGVHWQKN-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308196;MM308196;C=COCC(C)(CC)OC;AUYNHIGROWDJBH-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308197;MM308197;C=C(F)C(C(=N)N)N(C)C;SSWPYOHUIMTAMR-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308198;MM308198;C=COCC(C)(OC)OC;BYAFGRPMLRGMKT-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308199;MM308199;C=C(C)C(C)=CCNC=O;JYQXOLOEJSNVIT-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308200;MM308200;C=CCNC(C)(CC)CC;DSVCHIPUFQXLPW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308201;MM308201;CC(=N)N(C(C)=N)C(C)C;IWMGWYAFIMJXTG-UHFFFAOYSA-N;141.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308202;MM308202;C=CCNC(C)(CC)CN;MSKODARLLWBKHQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308203;MM308203;CC(=N)N(C(=N)N)C(C)C;HYJJBNUWVPVHCB-UHFFFAOYSA-N;142.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308204;MM308204;C=CC(=NN=C)NCC=O;DNSLHOBMZDKBFC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308205;MM308205;CC(=O)N(C(=N)N)C(C)C;LGHBKRZMAUNBIF-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308206;MM308206;C=CCNC(C)(CN)CN;AGCKURVIGSUYAG-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308207;MM308207;CC(=N)N(C(C)=O)N(C)C;XZZOSTUIYJDXSI-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308208;MM308208;C=CCNC(C)(CN)CO;PFTDBTYDMXYPEA-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308209;MM308209;CC(=N)N(C(=N)N)N(C)C;WYUFZEHXLKWGAJ-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308210;MM308210;CC(CF)(CF)NCC#N;CYIJWMJVDRXVOT-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308211;MM308211;C=C(C)C(C(=C)C)C(N)=O;YCRIFNKBLASDEV-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308212;MM308212;CCC(C)(CC)NNC=N;WODMYRDDDCNJJM-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308213;MM308213;C=C(C)C(C(=C)C)C(=O)O;MFTUJVYLYHDDBO-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308214;MM308214;N#CCNC(C=O)C(F)F;SVNVTWYYLOIZHB-UHFFFAOYSA-N;148.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308215;MM308215;C=C(C)C(C(C)=O)C(C)=O;PQBDEVCRJCXDDW-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308216;MM308216;CC(CN)(CN)NNC=N;WANMOGFYJOXNMA-UHFFFAOYSA-N;145.21;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308217;MM308217;C=C(C)C(C(=C)F)C(=N)N;FFGZQBVQJYFNOR-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308218;MM308218;CC(CN)(CN)NNC=O;NOBMXJUDOLSCPS-UHFFFAOYSA-N;146.19;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308219;MM308219;C=C(C)C(C(=C)F)C(N)=O;DAVWLUITHOKTBE-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308220;MM308220;CC(CN)(CO)NNC=N;PSZPXSDSXAPWAW-UHFFFAOYSA-N;146.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308221;MM308221;C=C(F)C(C(C)=O)C(C)=O;SIMZCTAGNTXPIY-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308222;MM308222;CC(CF)(CF)NNC=N;QIMMPUMCFFNIJR-UHFFFAOYSA-N;151.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308223;MM308223;C=C(F)C(C(C)=O)C(N)=O;CJYUPUTUKBKVDD-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308224;MM308224;C=CCOC(C)(CC)CC;OIABKFFUBOBGOY-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308225;MM308225;N=C(N)C(C(=N)N)C(N)=O;VQJOGMJSGOFRKK-UHFFFAOYSA-N;143.15;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308226;MM308226;CCC(C)(CC)OCC=O;JSZNNVDDPRFJPT-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308227;MM308227;N=C(N)C(C(N)=O)C(N)=O;GGACTJYCAOSVOI-UHFFFAOYSA-N;144.13;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308228;MM308228;C=CCOC(C)(CN)CO;PNEURKZLNKMMFZ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308229;MM308229;NC(=O)C(C(N)=O)C(N)=O;CNRMAYYJMYPPHU-UHFFFAOYSA-N;145.12;-2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308230;MM308230;C=CCOC(C)(CO)CO;KTBYUDUUWFYGSJ-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308231;MM308231;C=C(C)N(C(=C)C)C(C)=O;JUMVIJXNVQMMNB-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308232;MM308232;CC(CO)(CO)OCC=O;HESIYIBRKWAAII-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308233;MM308233;C=C(C)N(C(C)=N)C(C)=O;PXTRPCASDVOOFN-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308234;MM308234;COC(C)(CF)OCC=O;PVBKBZLWWXZPQA-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308235;MM308235;CC(=N)N(C(C)=N)C(C)=O;NIOJFLNLHIBHPU-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308236;MM308236;CCC(C)(CC)ONC=N;SNNIKAOIJHEUFN-UHFFFAOYSA-N;144.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308237;MM308237;CC(=N)N(C(C)=O)C(C)=O;VXSFMAJPEDQYJP-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308238;MM308238;CCC(C)(CN)ONC=N;MJHZZIGDFIBQLX-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308239;MM308239;CC(=N)N(C(=N)N)C(=N)N;RXBCFLANUJNLLA-UHFFFAOYSA-N;142.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308240;MM308240;CCC(C)(CO)ONC=N;MOOXVYBKAABJCL-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308241;MM308241;CC(=N)N(C(=N)N)C(N)=O;BBHUIGQWCIJOTQ-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308242;MM308242;CC(CO)(CO)ONC=N;MBXBYROYDCIJAL-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308243;MM308243;Cn1cc(N)c(=O)nc1N;NDSHTQXTDCXNQV-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308244;MM308244;CCC(C)(OC)ONC=N;WHWAZAHIDCTJSB-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308245;MM308245;CC(=O)N(C(=N)N)C(=N)N;QKVRCBOFIIDVND-UHFFFAOYSA-N;143.15;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308246;MM308246;COC(C)(CN)ONC=N;RCRMLEGMFAVBNV-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308247;MM308247;CC(=O)N(C(N)=O)C(N)=O;YOCUAJCOLRRIBT-UHFFFAOYSA-N;145.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308248;MM308248;COC(C)(CF)ONC=N;XUURBYICNSQBRF-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308249;MM308249;CC(F)=C(C(C)C)C(C)O;GZZJHFAXOVVHAI-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308250;MM308250;C#CCCC(C)(CC)CC;NFMVPSMIAOKRPQ-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308251;MM308251;CC(C)=C(C(C)C)C(F)F;BZBOKSHJZFJERK-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308252;MM308252;C#CCCC(C)(CC)CN;FFCDAIQZPIPFPV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308253;MM308253;CC(N)C(=C(F)F)C(C)N;QHZCTFRIAPAZCZ-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308254;MM308254;C=C(CO)C1CC1C(C)O;RBCXBNMTDSCZFU-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308255;MM308255;CC(C)=C(C(C)N)C(C)O;OLEKKGYZVLCECC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308256;MM308256;C#CCCC(C)(CN)CO;JOTMMYYDHGCXIS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308257;MM308257;CC(N)C(=C(F)F)C(C)O;LLXSNHZDUVCLTR-UHFFFAOYSA-N;151.16;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308258;MM308258;C#CCCC(C)(CN)CF;ZXTAMYVMDHMKFC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308259;MM308259;CC(C)=C(C(C)N)C(C)F;ZYWSSHFGCWKKEM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308260;MM308260;C#CCCC(C)(CO)CO;XQESIQYSLOOCPE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308261;MM308261;CC(F)=C(C(C)N)C(C)F;CGDLRRGECVXRTK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308262;MM308262;C#CCCC(N)(CC)CC;ZAYKBGPPVUNTEH-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308263;MM308263;CC(C)=C(C(C)N)C(F)F;OSENGFFEPGYFAE-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308264;MM308264;C#CCCC(N)(CN)CF;NCQFDQDHEXSSDH-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308265;MM308265;CC(C)=C(C(C)O)C(C)F;GCHRPLOGUXHTFX-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308266;MM308266;C#CCCC(N)(CO)CF;HUACXJXEDXXBMG-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308267;MM308267;CC(C)=C(C(C)F)C(C)F;YJQIJLNZDMQTRR-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308268;MM308268;C#CCCC(O)(CC)CO;SSKNWXLCRVCSRF-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308269;MM308269;CC(C)=C(C(C)F)C(F)F;XYHIJQMVDITZHZ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308270;MM308270;C#CCCC(O)(CO)CO;IGGSNHAQSKNQIN-UHFFFAOYSA-N;144.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308271;MM308271;C#CCCC(F)(CN)CN;CHQOYJSRDFBHHP-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308272;MM308272;CC(C)=C(C(F)F)C(F)F;CGAGFQUZFRFUJB-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308273;MM308273;C#CCCC(F)(CN)CO;LBMLBJSGDNSWQS-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308274;MM308274;CC(=O)C(=C(C)C)C(C)C;KSGVWMZWUZRMGN-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308275;MM308275;C#CCCC(F)(CO)CO;OSECJYOTBAZVMY-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308276;MM308276;CC(C)=C(C(=N)N)C(C)C;ZYOFIZAFEMWZGQ-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308277;MM308277;C#CCCC(C)(CO)NC;YSWGWLPUNWWYLQ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308278;MM308278;CC(C)C(C(=N)N)=C(N)N;ZRPBMJJLKKSNMN-UHFFFAOYSA-N;142.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308279;MM308279;C#CCCC(C)(CO)OC;VMJATEKGBAQYRS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308280;MM308280;CC(O)C=CC(C#N)=CN;ILCTYJDWQSKHGF-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308281;MM308281;C#CCCC(C)(OC)OC;GRLQOYFEUAMGRM-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308282;MM308282;CC=C(C=CC(N)=O)OC;FGUKDDOJEGBTFG-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308283;MM308283;C#CCNC(C)(CC)CN;NSUDUOAKKLKVAD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308284;MM308284;CNC1(C#N)CC(C=O)C1;MANFKFKKXWAGEF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308285;MM308285;C#CCNC(C)(CC)CO;VQXNRBWMTUSBBZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308286;MM308286;CC(C=O)C(N)=C(F)C#N;XXBXRLRPQZSFMG-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308287;MM308287;C#CCNC(C)(CN)CF;HRORTPWQROEYKR-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308288;MM308288;CC(C)=C(C(=O)O)C(C)C;XXPULUMWWQSINA-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308289;MM308289;C#CCOC(C)(CC)CO;PIKXJOVXUNPMRS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308290;MM308290;CC(F)=C(C(=O)O)C(C)C;MRHFDPKZPZDUPA-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308291;MM308291;C#CCOC(C)(CN)CO;SFSSJUVZBPFKQT-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308292;MM308292;CC(C)C(C(=O)O)=C(F)F;GEBUCYYYVVNLBO-UHFFFAOYSA-N;150.12;1.88;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308293;MM308293;C#CCOC(C)(CN)CF;GHRKONPPBGKMLH-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308294;MM308294;CC(C)=C(C(N)=O)C(C)N;KWLNHHZVFHFVIJ-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308295;MM308295;C#CCOC(C)(CC)OC;UWKMPSXDUQXVTG-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308296;MM308296;C=C(F)C(=C(C)F)C(C)N;OGOKTMOUCZZEJW-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308297;MM308297;C#CCOC(C)(CN)OC;DIRZFMSUEXKNNW-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308298;MM308298;CC(=O)C(=C(C)C)C(C)O;QQKDKEVVEHWPQC-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308299;MM308299;C=CC(C)(CC)CCCC;NMUCPWFOCSYTFX-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308300;MM308300;CC(=O)C(=C(F)F)C(C)O;UWTMZBGYPUCDKX-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308301;MM308301;C=CC(C)(CC)CCCN;PALIRKJYXPCUKE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308302;MM308302;CC(F)=C(C(=N)N)C(C)O;DNBXBOGQYZFYKK-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308303;MM308303;CC(O)C(C(=N)N)=C(N)N;XKNCTPGKUGVPNH-UHFFFAOYSA-N;144.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308304;MM308304;C=CC(C)(CC)CCCO;KNZNIHNKMJTLSD-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308305;MM308305;CC(N)=C(C(N)=O)C(C)O;SMCSFTPDXWAEHA-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308306;MM308306;C=CC(C)(CC)CCCF;HTMRTJPZIIIXOB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308307;MM308307;CC(F)=C(C(N)=O)C(C)O;FPBMHZCVUOBGFL-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308308;MM308308;CCCCC(C)(C=O)CC;JRKNKOILFVFGDB-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308309;MM308309;CC(O)C(C(N)=O)=C(N)N;ZQKWASLGHONCNG-UHFFFAOYSA-N;145.16;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308310;MM308310;CCCCC(C)(C#N)CC;XFMVEHPOZXWLIZ-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308311;MM308311;COC(=O)C(C)C(=O)O;LROWQPBZDXWPJW-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308312;MM308312;CCC(C)(C=O)CCCO;ABLSTMFCXPFFSC-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308313;MM308313;CC(=O)C(=C(C)C)C(C)F;FNQZEOKAKUZVLB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308314;MM308314;CCC(C)(C#N)CCCO;HIOODESZQQVHHT-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308315;MM308315;CC(C)=C(C(=N)N)C(C)F;HRRAFSQECAYGJD-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308316;MM308316;CCC(C)(C=O)CCCF;GKTCWZYRGCLDHB-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308317;MM308317;C=NNC(C#N)=NC=NC;CLTJFMTXJFCITK-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308318;MM308318;CCC(C)(C#N)CCCF;WFBWVCKMYXYODZ-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308319;MM308319;CC(C)=C(C(=O)O)C(C)F;GQUNGBDMYULPOT-UHFFFAOYSA-N;146.16;1.77;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308320;MM308320;C=CC(C)(CN)CCCC;PXSGCCHUILNLAC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308321;MM308321;CC(F)=C(C(=O)O)C(C)F;ILIUUHBDVRODRS-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308322;MM308322;C=CC(C)(CN)CCCN;BNOGCIBOCJLVIU-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308323;MM308323;CC(=O)C(=C(C)C)C(F)F;JRAPJDIWHVLRAU-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308324;MM308324;NNc1nc(=O)onc1F;YNQVWNNIZWEYHS-UHFFFAOYSA-N;146.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308325;MM308325;CC(=O)C(=C(C)N)C(F)F;NFHQUTICUJSODI-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308326;MM308326;C=CC(C)(CO)CCCN;XVPNWKJAMVUFKV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308327;MM308327;N=C(N)C(=C(N)N)C(F)F;IWWAAEALSFZOFV-UHFFFAOYSA-N;150.13;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308328;MM308328;CNc1n[nH]c(C=O)c1N;KCPMGURLYIOEQD-UHFFFAOYSA-N;140.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308329;MM308329;CC(C)=C(C(N)=O)C(F)F;GLCNTDNJZDXBSH-UHFFFAOYSA-N;149.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308330;MM308330;CC(C=O)(CO)CCCO;HMFXOPFDHQKHNI-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308331;MM308331;NC(=O)C(=C(N)N)C(F)F;GFQUFBYDZVXGMF-UHFFFAOYSA-N;151.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308332;MM308332;CC(C#N)(CO)CCCO;SIKBMSKKJYGFMN-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308333;MM308333;CC(C)=C(C(=O)O)C(F)F;GUZMLRLVXPWZHA-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308334;MM308334;C=CC(C)(CF)CCCN;QDGCOSQETGQLTF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308335;MM308335;C=CN(CC(=O)O)C(N)=O;DJKOHCDEOYAKGK-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308336;MM308336;C=CC(C)(CF)CCCO;NDYIYGXVVFGHHL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308337;MM308337;C=C(C)C(C(C)=O)=C(C)C;XQQGHMBALNEQIE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308338;MM308338;C=CC(C)(CF)CCCF;GZBYQXUTRLUKNK-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308339;MM308339;C=C(C)C(C(C)=O)=C(C)F;MKLKOCHUSWTOOK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308340;MM308340;CCCCC(C)(C=O)CF;WYIHDIWLMRTFKK-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308341;MM308341;C=C(C)C(C(=N)N)=C(C)C;UMNBEXANDZFBFR-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308342;MM308342;CC(C=O)(CF)CCCO;DGLXEEOCGVGTAO-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308343;MM308343;C=C(C)C(C(=N)N)=C(C)F;AFKYKUWFGZGJEJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308344;MM308344;CC(C=O)(CF)CCCF;HELYHQFEMDBMGK-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308345;MM308345;C#CC(C=O)N(C=O)N=C;DMKFIBXMBDUJOF-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308346;MM308346;C=CC(N)(CC)CCCC;YJLQOCBCUJICIZ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308347;MM308347;C=CC(=CCNC=O)CC;NILLZWXYYSJXNS-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308348;MM308348;C=CC(N)(CC)CCCN;OYQHWVRRYJCTAP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308349;MM308349;C=CC(C=C)C(C)NC=O;NDIVYTUMKAXXFJ-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308350;MM308350;C=CC(N)(CC)CCCO;BJVTYUKQJZIBDJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308351;MM308351;C=C(C)C(C(=O)O)=C(C)C;LVEZOLGUGIDTNL-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308352;MM308352;C=CC(N)(CN)CCCC;ZHQFSYPEWQIUAP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308353;MM308353;CC(=O)C(C(C)=O)=C(C)C;XHAMORUCXVKDGX-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308354;MM308354;C=CC(N)(CN)CCCN;DLEUIMKQUBRXGR-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308355;MM308355;CC(=O)C(C(C)=O)=C(N)N;LKLIKVDVIGJWOE-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308356;MM308356;C=CC(N)(CN)CCCO;RTLWSHBNCLDLCQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308357;MM308357;C#CC12CC1N=C(NN)O2;ZSTLSWSXHJEDLV-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308358;MM308358;C=CC(N)(CN)CCCF;FFRVBECHOGYWNK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308359;MM308359;O=COc1oc(=O)oc1O;REAPUKAWAFWNQK-UHFFFAOYSA-N;146.05;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308360;MM308360;C=CC(N)(CO)CCCN;QQCJBTHIEZKJAT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308361;MM308361;CC(=O)C(C(=O)O)=C(F)F;VINZHZSHEAXHPD-UHFFFAOYSA-N;150.08;0.81;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308362;MM308362;C=CC(N)(CO)CCCO;WCIIZIRNHYJHMC-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308363;MM308363;C=C(F)C(C(C)=O)=C(C)C;VEMIRJROKCMQGL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308365;MM308365;C=CC(N)(CF)CCCC;ZEVBMKSEMWXRSZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308364;MM308364;N=C(N)C(C(=N)N)=C(N)N;RLHCORKSWDXOFI-UHFFFAOYSA-N;142.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308366;MM308366;CC(N)=C(C(=N)N)C(N)=O;ZXYGJVMLQHFPLB-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308367;MM308367;CC(C)CCNC=O;WRWGCPXFAJKWDW-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308368;MM308368;C=C(F)C(C(=N)N)=C(C)C;SOPYXAZWIMDBDH-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308369;MM308369;C=CC(O)(CC)CCCN;FUZUFDBQPQDYKN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308370;MM308370;CC(N)=C(C(N)=O)C(N)=O;QTMGNTOFAUFVEV-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308371;MM308371;C=CC(O)(CC)CCCF;HAUPIDHOQAKSEO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308372;MM308372;CNc1nc(=O)[nH][nH]c1=O;OMBMACCNZMPXRX-UHFFFAOYSA-N;142.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308373;MM308373;CCCCC(O)(C=O)CC;VILVCGDNZMOHAG-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308374;MM308374;CNC(=O)CC(=O)O;ANSCABGFLRQFHU-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308375;MM308375;CCC(O)(C=O)CCCF;DLUKPKINZHHEDX-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308376;MM308376;C=C(F)C(C(N)=O)=C(N)N;BQYKADKIZKJNJM-UHFFFAOYSA-N;145.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308377;MM308377;C=CC(O)(CN)CCCN;QMJQHEXNKUHVGU-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308378;MM308378;N#CCC1(CC#N)CCC1;QFCWIRSYNLEBJL-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308379;MM308379;C=CC(O)(CN)CCCO;GIKIAHUOPBFJDM-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308380;MM308380;CC#CC1(C#CC)CCC1;XSMPAFYTHSFXJR-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308381;MM308381;O=CC(O)(CO)CCCO;GHUFAMQWODOODK-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308382;MM308382;CC#CC1(C#CC)CNC1;WKVHLWNOXNPJKN-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308383;MM308383;N#CC(O)(CO)CCCO;JSVCEJUQUPBUEU-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308384;MM308384;CC#CC1(C#CC)COC1;UJYXKGVACJQMQA-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308385;MM308385;O=CC(O)(CF)CCCF;LVXWFKZCKXBPIS-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308386;MM308386;CC#CC1(C#CC)CCO1;SSEMTWPDJTUBJZ-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308387;MM308387;C=CC(F)(CC)CCCO;KAOIMQNAKWBUKR-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308388;MM308388;C=C(C)C1(C(=C)C)CCC1;VQJBFZZJYBPUTA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308389;MM308389;CCC(F)(C#N)CCCO;IIUMULFRJOXTOF-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308390;MM308390;C=C(C)C1(C(=C)C)CNC1;AXQQAQOHGFJJHW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308391;MM308391;CCC(F)(C#N)CCCF;TXXLWRWYJRVLFH-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308392;MM308392;CCCC1CC(C(C)C)C1;VXVBXBZMWCIFQS-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308393;MM308393;C=CC(F)(CN)CCCC;MJZJSQIVOFHHNQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308394;MM308394;CC(C)C1CC(CCN)C1;JKKGQIGMEHBJAJ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308395;MM308395;C=CC(F)(CN)CCCN;ATCORNHZSLWOAO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308396;MM308396;CC(N)C1CC(CCN)C1;JRXBFJHYGSBZQC-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308397;MM308397;C=CC(F)(CN)CCCO;AOVLMYIWIFAORX-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308398;MM308398;CC(N)C1CC(CCO)C1;IJNSYVJKXFVBDG-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308399;MM308399;O=CC(F)(CO)CCCO;PIQLNPOTIALXFR-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308400;MM308400;CNn1onc(NN)c1=O;ZLFWCWNCJRPTIS-UHFFFAOYSA-N;145.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308401;MM308401;N#CC(F)(CF)CCCF;HCDAUHPPXHBIEM-UHFFFAOYSA-N;151.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308402;MM308402;C=CN(C=N)C(=O)C1CN1;AVBFUVWWGDEWHJ-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308403;MM308403;C=CC(C)(CC)CCNC;NMRKGKHDLBZRCI-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308404;MM308404;CNCC1CC(C(C)C)C1;RSOAGKVQULAKSU-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308405;MM308405;CCC(C)(C=O)CCNC;GVCDFTDHKDCKGX-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308406;MM308406;CNCC1CC(C(C)N)C1;ZXJRNHVJLQSEDW-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308407;MM308407;CCC(C)(C#N)CCNC;FDKQEVLGLXMLFS-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308408;MM308408;CNCC1CC(C(C)O)C1;GRYYONSSIHCZHJ-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308409;MM308409;CNCCC(C)(C=O)CO;YUWXQTLOQPRPEL-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308410;MM308410;CNCC1CC(C(C)F)C1;WPEZZBWDWJGLSD-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308411;MM308411;CNCCC(C)(C#N)CO;FDYQLCBLHPNKLJ-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308412;MM308412;CCNC1CC(C(C)C)C1;VPSVVEUEDLQASJ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308413;MM308413;C=CC(C)(CF)CCNC;WROYNLGPNICFSL-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308414;MM308414;CCNC1CC(C(C)F)C1;PEBPAVQECOCOSO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308415;MM308415;C=CC(N)(CO)CCNC;GZPDNZUAXHVKMT-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308416;MM308416;CCCC1CC(C(C)N)N1;UZSRSXPNENAENR-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308417;MM308417;C=CC(O)(CC)CCNC;BOBXHEDWPCYSOC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308418;MM308418;CCCC1CC(C(C)O)N1;XLTUFOITJJBMNI-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308419;MM308419;C=CC(O)(CN)CCNC;SJCWFKSRLJYNCO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308420;MM308420;CCCC1CC(C(C)F)N1;LROZWCMQTFNOSA-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308421;MM308421;CNCCC(O)(C#N)CO;OUKCNUPYZNRXES-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308422;MM308422;CNCC1CC(C(C)C)N1;QSXJYJHPFGCOQJ-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308423;MM308423;CCC(F)(C#N)CCNC;BRRARIIISQSRMW-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308424;MM308424;CNCC1CC(C(C)O)N1;FSKKWXHHQCVBHZ-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308425;MM308425;CNCCC(F)(C=O)CF;FUUUJTWBDSUHKV-UHFFFAOYSA-N;151.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308426;MM308426;CC(C)C1CC(CCN)O1;TWXXZOKWSPGFEV-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308427;MM308427;C=CC(C)(CC)CCOC;CQEOWNBYTYIRGU-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308428;MM308428;CCCC1CC(N(C)C)C1;WSPUGSMBAYNIKV-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308429;MM308429;CCC(C)(C=O)CCOC;YULCWMFQXUXNGG-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308430;MM308430;CN(C)C1CC(CCN)C1;ZESQEZAAIZORAU-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308431;MM308431;CCC(C)(C#N)CCOC;GRKJMKCPVFORLB-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308432;MM308432;CNCC1CC(N(C)C)C1;PQUUCLGJZWPQCT-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308433;MM308433;C=CC(C)(CN)CCOC;IWBWNFVMNFFQAJ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308434;MM308434;CCNC1CC(N(C)C)C1;ZGKFBQYRJBBTQA-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308435;MM308435;C=CC(C)(CO)CCOC;DCIMOTPSHCDASC-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308436;MM308436;CCCN1CC(C(C)C)C1;JCUINFXMWQQLID-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308437;MM308437;CCCN1CC(C(C)N)C1;PDZXAOMKOFXYNQ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308438;MM308438;COCCC(C)(C=O)CO;NJVGKEMCAPQRLW-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308439;MM308439;CCCN1CC(C(C)O)C1;JBDLUXSVSHFXLX-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308440;MM308440;COCCC(C)(C#N)CO;SHWGAXULTGUGIM-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308441;MM308441;CC(O)C1CN(CCN)C1;PXIBTKCUAIYGEP-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308442;MM308442;C=CC(C)(CF)CCOC;HVNZJTMZHDHFDG-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308443;MM308443;CCCN1CC(C(C)F)C1;YDVPBKVQIVFLSB-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308444;MM308444;COCCC(C)(C=O)CF;DRDIGTBTUAHWKH-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308445;MM308445;CCCN1CC(N(C)C)C1;VNXGCMQYNFIAGE-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308446;MM308446;COCCC(C)(C#N)CF;XUKAXIVBYRXWIK-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308447;MM308447;CCCC1CN(C(C)C)C1;LUUOIBYPSUCAGM-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308448;MM308448;C=CC(N)(CC)CCOC;SLTANNOQYYXUJP-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308449;MM308449;CC(C)N1CC(CCO)C1;CYRUQLFXSXWTNZ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308450;MM308450;C=CC(O)(CC)CCOC;AAJXMHKKJIYSPH-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308451;MM308451;CNCC1CN(C(C)C)C1;OVFGTVWNIDSIJO-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308452;MM308452;C=CC(O)(CO)CCOC;XIWHEEAKMOXHNR-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308453;MM308453;C=CCC1CC(C(C)C)C1;VWTNOTJMDCYXAJ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308454;MM308454;COCCC(O)(C=O)CO;KDOFFDWMPKQNIX-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308455;MM308455;CC(C)C1CC(CC#N)C1;PJMHPOYEFVLLHF-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308456;MM308456;COCCC(O)(C#N)CO;DVKXSCSDYPXKSP-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308457;MM308457;C=CCC1CC(C(C)N)C1;JCWKRQCJBPUKOV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308458;MM308458;COCCC(O)(C#N)CF;ISCBYFNVKYLEEY-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308459;MM308459;COCCCC(N)=O;XJXBWJFUCWOLSY-UHFFFAOYSA-N;117.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308460;MM308460;C=CC(F)(CC)CCOC;UYYHNFHFCUYAEL-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308461;MM308461;O=C1CN2CC1(F)C2;GDKDIPGUKQGSQU-UHFFFAOYSA-N;115.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308462;MM308462;COCCC(F)(C#N)CO;SSFRQSSONUXHDN-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308463;MM308463;CC(F)C1CC(CC=O)C1;IZYDWNPZVNMFBS-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308464;MM308464;C=CC(C)(CCCC)NC;FVYNQYSZWUMDHO-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308465;MM308465;CCC(C)C(=O)NC;ISFCRWPZUSUIJP-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308466;MM308466;C=CC(C)(CCCO)NC;ANBYLYFSQSCPNU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308467;MM308467;CC(N)C1CC(NC=N)C1;SKNZHOVMRKKFSU-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308468;MM308468;C=CC(C)(CCCF)NC;AMVQGHDYALWUAJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308469;MM308469;CC(N)C1CC(NC=O)C1;JIIDAKATNVJZDF-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308470;MM308470;CCCCC(C)(C=O)NC;QPNOORTXVXMBPM-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308471;MM308471;CC(O)C1CC(NC=O)C1;QZYSYOFZSALTGB-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308472;MM308472;CNC(C)(C=O)CCCF;MMFIRICVZBLMCY-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308473;MM308473;C=NNC1CC(C(C)N)C1;GCPUUJQAGAXPKG-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308474;MM308474;C=CC(C)(CCOC)NC;VWJDMLMEEQBOQV-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308475;MM308475;C#CC1(C)NCC1=O;IKTZTPZJQVLBHU-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308476;MM308476;CNC(C)(C=O)CCOC;DFKMNPIIQVHFSJ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308477;MM308477;C=COC1CC(C(C)C)C1;NBNJRQIKLRAQCL-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308478;MM308478;C=CC(C)(CCCO)OC;CWGUYUGVSOICQI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308479;MM308479;C=COC1CC(C(C)N)C1;NILNRVMVLPUATQ-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308480;MM308480;C=CC(C)(CCCF)OC;FBICEWTXYZSRLD-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308481;MM308481;C=COC1CC(C(C)O)C1;QZXKCOPVDRXWIW-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308482;MM308482;CCCCC(C)(C=O)OC;VMRZRELRFMMLLU-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308483;MM308483;CC(O)C1CC(OC=O)C1;SYNDWJHJBTUAFU-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308484;MM308484;C=CC(C)(CC)CNCC;VATVHQCNABOFTP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308485;MM308485;C=COC1CC(C(C)F)C1;KRDPNXFHBNOETD-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308486;MM308486;CCNCC(C)(C=O)CC;GYKBOGLKCGYSPG-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308487;MM308487;C=NOC1CC(C(C)C)C1;CHTAKVMREPVHJV-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308488;MM308488;C=CC(C)(CO)CNCC;GHFFNTMCHNNFPE-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308489;MM308489;C=NOC1CC(C(C)N)C1;QSUIZJXHFFBTHF-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308490;MM308490;CCNCC(C)(C=O)CO;ODZFJIUPDGAGOM-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308491;MM308491;CC1NC1C(=O)C#N;AXULSRZVRJHBJC-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308492;MM308492;C=CC(C)(CF)CNCC;KOYFIAGTFVDWEV-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308493;MM308493;C=CCC1CC(C(C)C)N1;NBUIIUWDKKPXAM-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308494;MM308494;CCNCC(C)(C=O)CF;ULIZJTYULRGHNW-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308495;MM308495;CC(C)C1CC(CC#N)N1;QOYSYECPELBQBP-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308496;MM308496;C=CC(N)(CC)CNCC;MGYBDUCIKQOGIL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308497;MM308497;C=CCC1CC(C(C)N)N1;UJFOFZYGDMPQSK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308498;MM308498;C=CC(N)(CN)CNCC;RAJDNSIWFOVSHC-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308499;MM308499;C=CCC1CC(C(C)O)N1;ARZAKXRBJNPBMZ-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308500;MM308500;C=CC(N)(CO)CNCC;RLCDABXWJLTCMY-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308501;MM308501;CC(O)C1CC(CC=O)N1;HALASMJZNLRCGD-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308502;MM308502;C=CC(O)(CC)CNCC;CAYWPQFEFHIIMW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308503;MM308503;CC(F)C1CC(CC=O)N1;ZIAUQIWAKGFZEM-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308504;MM308504;C=CC(O)(CN)CNCC;PBPIKRKZBAIKBV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308505;MM308505;CC(C)C1CC(CC=O)O1;NDIDNYRNIOGFMT-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308506;MM308506;C=CC(F)(CC)CNCC;QUCYUFBLPWCOQY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308507;MM308507;C=CCC1CC(C(C)N)O1;QZWWDPBFWNXVLJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308508;MM308508;CCNCC(F)(C=O)CC;TYFXWZGPVHGNBU-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308509;MM308509;CC(O)C1CC(CC#N)O1;MOEWXBUUVGXGRA-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308510;MM308510;CCNCC(C)(C=O)NC;IJMNHQIJBASQTL-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308511;MM308511;C=CCC1CC(N(C)C)C1;GIWOPMREQHHBEY-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308512;MM308512;C=CC(C)(CC)COCC;GOFQGLSSDWGBTC-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308513;MM308513;CN(C)C1CC(CC#N)C1;YRHAYQYWNKBJET-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308514;MM308514;CCOCC(C)(C#N)CC;BCXAIZNYEFSCCY-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308515;MM308515;CN(C)C1CC(NC=N)C1;LPKPRJCJZWJDKJ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308516;MM308516;C=CC(C)(CN)COCC;RJEQCRFSAFZQRF-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308517;MM308517;C=NNC1CC(N(C)C)C1;ZNPVFXWLJFLIPI-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308518;MM308518;C=CC(C)(CO)COCC;KNIDQJAIGHOSMU-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308519;MM308519;CCOCC(C)(C#N)CF;QUNICGJZHMBGAF-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308520;MM308520;C=COC1CC(N(C)C)C1;KHSZHFMGIFUPBJ-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308521;MM308521;C=CC(N)(CC)COCC;BRIRUGGTANHQDP-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308522;MM308522;C=NOC1CC(N(C)C)C1;WUIQHHMSEZBVPD-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308523;MM308523;C=CC(O)(CC)COCC;UFMNLJITPIOQKZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308524;MM308524;C=CCN1CC(C(C)C)C1;XFXCXNPVLRTOEG-UHFFFAOYSA-N;139.24;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308525;MM308525;CCOCC(O)(C=O)CO;JWLPGZDSBUBNMZ-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308526;MM308526;CC(=O)NCC(C)(C)C;XUOSGOQBPBKQSX-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308527;MM308527;CCOCC(O)(C=O)CF;KWPCJYVKXABHGX-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308528;MM308528;CC(C)C1CN(NC=N)C1;XHFXBIYLWXLPND-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308529;MM308529;CCOCC(O)(C#N)CF;TUHNAOALDUVBSG-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308530;MM308530;CC(N)C1CN(NC=N)C1;ZCTFHNHYHSPZEE-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308531;MM308531;C=CC(F)(CO)COCC;MEWDQYDFKMYFGP-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308532;MM308532;CC(N)C1CN(NC=O)C1;MMKYYKHSGIDICO-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308533;MM308533;CCOCC(F)(C=O)CO;DYFLLPKDXHQNGR-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308534;MM308534;CC(O)C1CN(NC=N)C1;ATTDNZISVJKGQC-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308535;MM308535;C=CC(C)(COCC)NC;SAGDGLYENBCUGS-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308536;MM308536;CN(C)C1CN(NC=N)C1;VNKNUVFWKCAVNO-UHFFFAOYSA-N;142.21;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308537;MM308537;C=CC(C)(COCC)OC;BGACADKOMYZXIR-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308538;MM308538;C=CCC1CN(C(C)C)C1;IKDYAIMOBPYLBN-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308539;MM308539;CCOCC(C)(C=O)OC;HSUHGDHFVJOQIA-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308540;MM308540;C#CCC1CC(C(C)C)C1;ZBQPODMIVGBGNO-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308541;MM308541;CCOCC(C)(C#N)OC;VJZMFUSZHJKXBJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308542;MM308542;C=C(C)CCC(=O)NC;YXBGCTNEDSBADW-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308543;MM308543;C=CC(C)(CC)NCCC;QHWUOJFEHFPIAT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308544;MM308544;C#CCC1CC(C(C)F)C1;JERBJNBRKNLDGG-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308545;MM308545;C=CC(C)(CC)NCCN;HIJWKGFQIHFIJO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308546;MM308546;C=CC(C)(CC)NCCO;WXIOKOGMHCYSNS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308547;MM308547;C#CCC1CC(C(C)C)N1;YKIFCKRIXWXLBJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308548;MM308548;C=CC(C)(CC)NCCF;GGFZJQCQHJDBKR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308549;MM308549;C#CCC1CC(C(C)N)N1;OPMHUGJVTYBXCL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308550;MM308550;CCCNC(C)(C#N)CC;DOTMKQRTGOKFBP-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308551;MM308551;C#CCC1CC(N(C)C)C1;DUESTRMJPLVFQQ-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308552;MM308552;COn1cc(N)nn1;SRIZBOSZUVLCIT-UHFFFAOYSA-N;114.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308553;MM308553;C#CCC1CN(C(C)C)C1;AQACANLMXAHHEW-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308554;MM308554;CCC(C)(C#N)NCCF;JCOFAAUTNUJOIQ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308555;MM308555;C=C(C)C1CC(CCC)C1;SEAQINGAQFVPNN-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308556;MM308556;C=CC(C)(CN)NCCC;RUESSGYGZJWOIW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308557;MM308557;C=C(C)C1CC(CCN)C1;QBTQZLOOZFGZMT-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308558;MM308558;C=CC(C)(CN)NCCN;WKMXBWFMWDTNGE-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308559;MM308559;CC1CN1C=CC(N)=O;IZPXYNONSTVPFY-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308560;MM308560;C=CC(C)(CN)NCCO;GZMKMYRBBTXZCG-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308561;MM308561;CCCC1CC(C(C)=O)C1;OTFRYGVGFKIJSO-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308562;MM308562;C=CC(C)(CN)NCCF;NFVXWIIEGOLTGY-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308563;MM308563;CCCC1CC(C(=N)N)C1;VBQISLQUHAQZHZ-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308564;MM308564;C=CC(C)(CO)NCCC;WPJIIYDSXVYWQN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308565;MM308565;N=C(N)C1CC(CCN)C1;ZLXLEALXTXXIQD-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308566;MM308566;N#Cc1cc(N)c[nH]1;PHZGHWXUKOASDL-UHFFFAOYSA-N;107.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308567;MM308567;N=C(N)C1CC(CCO)C1;DTZWEBAALLCKGG-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308568;MM308568;C=CC(C)(CF)NCCC;MKMAZXBIORLRCO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308569;MM308569;NNc1non(N)c1=O;PWSXPZMHSGMEKD-UHFFFAOYSA-N;131.1;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308570;MM308570;C=CC(C)(CC)OCCC;YBMFMDYMHYUVHL-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308571;MM308571;NCCC1CC(C(N)=O)C1;LCOCXEJQCKYUCS-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308572;MM308572;C=CC(C)(CC)OCCN;FGXJRLVAUQAYPN-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308573;MM308573;CCCC1CC(C(=O)O)C1;XYBJCZJXGGQMTQ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308574;MM308574;C=CC(C)(CC)OCCO;CYBHSKLZRNWPJL-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308575;MM308575;C=C(F)C1CC(CCC)C1;QRLXEMJKBMCVKR-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308576;MM308576;C=CC(C)(CC)OCCF;FGASCRSGOMSAAT-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308577;MM308577;C=C(C)C1CC(CNC)C1;VGWCGHOVTXYUGG-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308578;MM308578;CCCOC(C)(C=O)CC;QIQVPLVIVFYYGA-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308579;MM308579;CNCC1CC(C(C)=O)C1;DKZKXLQFDHOEOF-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308580;MM308580;CCCOC(C)(C#N)CC;NCDOTUGHQWSLGJ-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308581;MM308581;CNCC1CC(C(=N)N)C1;HGJMERWAMBDVCS-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308582;MM308582;CCC(C)(C#N)OCCO;WMUZEVMGXFYNRA-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308583;MM308583;CNCC1CC(C(N)=O)C1;RUQDEIFUGZJQPO-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308584;MM308584;C=CC(C)(CN)OCCC;CNICTDWHXNVFKM-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308585;MM308585;C=C(C)C1CC(NCC)C1;XYNAHMQFHJKDQT-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308586;MM308586;C=CC(C)(CO)OCCC;HGQMHAUGMXIMFX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308587;MM308587;CCNC1CC(C(=N)N)C1;QQURQVKLFCLJFE-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308588;MM308588;CCCOC(C)(C#N)CO;WEMRARCXORTKPH-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308589;MM308589;CCOC1CC(C(=N)N)C1;JRUUUABGEJYISY-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308590;MM308590;CC(C=O)(CO)OCCO;IZUQJZRKGIUETK-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308591;MM308591;C=C(C)C1CC(CCC)N1;NRMZLGDNZJAERY-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308592;MM308592;CC(C#N)(CO)OCCO;RZGANYLRNVKMSB-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308593;MM308593;CCCC1CC(C(C)=O)N1;NPGCVOLHTXTRGH-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308594;MM308594;C=CC(C)(CF)OCCN;VUAJUENYLKKSTJ-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308595;MM308595;NCCC1CC(C(N)=O)N1;RLPVVPMPCQORKT-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308596;MM308596;C=CC(C)(CC)OCOC;RVGVLCPOZJFWPC-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308597;MM308597;C=C(C)C1CC(CNC)N1;AALVFUAXTQPHBP-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308598;MM308598;CCC(C)(C#N)OCOC;PCHAPMFALMHNEA-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308599;MM308599;CNCC1CC(C(C)=O)N1;OZKBMVLEQVRCGX-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308600;MM308600;C=CC(C)(OC)OCCC;DFBFPUYTEXQXDE-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308601;MM308601;CNCC1CC(C(N)=O)N1;DUOQKXPEAJPKKM-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308602;MM308602;CCCOC(C)(C=O)OC;CWAATRKTEKXBOL-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308603;MM308603;CCCC1CC(C(N)=O)O1;HKQQIKJKDUJQNO-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308604;MM308604;C=CC(C)(OC)OCOC;WHPNNXHUPKTTOZ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308605;MM308605;CNCC1CC(C(=N)N)O1;GIDUSYSLEFRTGM-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308606;MM308606;C=CCCC(C)(C=C)CC;LWELRDPSIOGWFF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308607;MM308607;C=C(C)C1CN(CCC)C1;XADLRPDUYKRMRC-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308608;MM308608;C=CC(C)(CC)CCC=O;FEKKOVSTJQJVCM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308609;MM308609;CCCN1CC(C(=N)N)C1;AJJNOFRTWHSICH-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308610;MM308610;C=CC(C)(CC)CCC#N;RSWBSPXIQYLJKI-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308611;MM308611;CCCN1CC(C(N)=O)C1;IQWSMQORGDBSGM-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308612;MM308612;C=CCCC(C)(C=O)CC;VUQYKGFCHRVFBU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308613;MM308613;NCCN1CC(C(N)=O)C1;NRAHHSKPZVQPRB-UHFFFAOYSA-N;143.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308614;MM308614;C=CCCC(C)(C#N)CC;CUBXOWIFMGCXHC-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308615;MM308615;C=C(F)C1CN(CCC)C1;DHIFNEVETUDHCA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308616;MM308616;CCC(C)(C#N)CCC#N;YQFHHHCYPOFWKT-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308617;MM308617;CCCC1CN(C(C)=N)C1;YWNKNUIBTZFWLB-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308618;MM308618;C=CCCC(C)(C=C)CF;UDTDSGGYSJJISS-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308619;MM308619;CC(=N)N1CC(CCN)C1;IEMACLKLXNMBDO-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308620;MM308620;C=CC(C)(CF)CCC=O;UHXJWOYKZDTGFJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308621;MM308621;CC(=N)N1CC(CCO)C1;RBHHROUPRPLTAH-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308622;MM308622;C=CCCC(C)(C=O)CF;JCQHLHFFOFWFAQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308623;MM308623;CCCC1CN(C(C)=O)C1;LBNMJSNFZLIXKG-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308624;MM308624;C=CCCC(C)(C#N)CF;RYCYCBIRWQBQRM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308625;MM308625;CC(=O)N1CC(CCN)C1;PSZDAJWKRIRTCP-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308626;MM308626;C=CCCC(N)(C=C)CC;FENLSIJHHIBOJK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308627;MM308627;CC(=O)N1CC(CCO)C1;LCFIUWZLDCTZCV-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308628;MM308628;C=CCCC(N)(C=C)CN;SHAHLENEGHXJEE-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308629;MM308629;CCCC1CN(C(=N)N)C1;FJDXEQLMIUOBBX-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308630;MM308630;C=CCCC(N)(C=C)CO;WWYONXBFBKLPIR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308631;MM308631;N=C(N)N1CC(CCN)C1;IANPHULUNXCOEH-UHFFFAOYSA-N;142.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308632;MM308632;C=CCCC(O)(C#N)CC;PNDOWPPUBHTSPY-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308633;MM308633;N=C(N)N1CC(CCO)C1;HVRJFKSSFIDAIE-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308634;MM308634;C=CCCC(O)(C=C)CN;OZEHJSZUJCRKAK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308635;MM308635;CCCC1CN(C(N)=O)C1;ASFUJRYWRTWGEU-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308636;MM308636;C=CC(O)(CO)CCC=O;FNPODBCJCQFOIJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308637;MM308637;NCCC1CN(C(N)=O)C1;LQZHCECBEJZWIE-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308638;MM308638;N#CCCC(O)(C=O)CO;JNQJCPLNCYRTCK-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308639;MM308639;CNCC1CN(C(C)=N)C1;FMMIZGLUZQNDIR-UHFFFAOYSA-N;141.22;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308640;MM308640;N#CC(O)(CO)CCC=O;HTHIBIGRGOCEBO-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308641;MM308641;CNCC1CN(C(C)=O)C1;QKAOXBHRSFWPQT-UHFFFAOYSA-N;142.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308642;MM308642;N#CCCC(O)(C#N)CO;VOPDKKAJXGZNAP-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308643;MM308643;CNCC1CN(C(=N)N)C1;UIEZMFWAFQTMAC-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308644;MM308644;C=CCCC(F)(C=C)CC;RALQGFBNKCELLM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308645;MM308645;CNCC1CN(C(N)=O)C1;SHEDAVDNCPXUKM-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308646;MM308646;C=CC(F)(CC)CCC#N;MBAKEMNXBQTVDN-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308647;MM308647;CCNC1CN(C(C)=N)C1;DXLVONAPNBSTAG-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308648;MM308648;C=CCCC(F)(C#N)CC;YYDPIVNUUHNKJT-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308649;MM308649;CCNC1CN(C(C)=O)C1;CJBGGZANWPNQOJ-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308650;MM308650;O=CCCC(F)(C=O)CO;NNBZTSQWRJZVFM-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308651;MM308651;CCNC1CN(C(=N)N)C1;GNFHAAJZWWGXDA-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308652;MM308652;N#CCCC(F)(C=O)CO;UPBGBYGYERTGHC-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308653;MM308653;CCNC1CN(C(N)=O)C1;BARFSIQDAPKKFY-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308654;MM308654;C=CCCC(C)(C=C)NC;NIDPLUGKOXMWKX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308655;MM308655;CCOC1CN(C(C)=N)C1;VZAQZGPSJSDVKG-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308656;MM308656;C=CC(C)(CCC=O)NC;QCFFZPFCJSEYAC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308657;MM308657;CCOC1CN(C(C)=O)C1;DIXMEYOZYJQPEY-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308658;MM308658;C=CCCC(C)(C=O)NC;DAYKQCZOZGWHTB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308659;MM308659;CCOC1CN(C(=N)N)C1;HDNIIVAFYCMUKA-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308660;MM308660;C=CCCC(C)(C#N)NC;BIOWALKIXDBXGI-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308661;MM308661;CCOC1CN(C(N)=O)C1;JWCJXOQMCJDGJI-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308662;MM308662;CNC(C)(C#N)CCC#N;NXMJVZBIIZWJHL-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308663;MM308663;C=CCC1CC(C(=C)C)C1;ULMPGEBRXBVCQI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308664;MM308664;C=CCCC(C)(C#N)OC;UFWIVAGYAGGQRB-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308665;MM308665;C=C(C)C1CC(CC#N)C1;MHZHQGPPGQPTNG-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308666;MM308666;COC(C)(C=O)CCC=O;AGDPIJNRECUXIK-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308667;MM308667;C=CCC1CC(C(C)=O)C1;DSUZJRHBIMWJNY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308668;MM308668;C=CC(C)(CC)CNC=N;MGTWUAJSXRPULR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308669;MM308669;CC(=O)C1CC(CC#N)C1;BBTZKRORPXRDRK-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308670;MM308670;CCC(C)(C=O)CN=CN;VDEAALBFAXRNLR-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308671;MM308671;C=CCC1CC(C(=N)N)C1;ALRBLVAKNHJTPO-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308672;MM308672;CCC(C)(C#N)CNC=N;UYQZUABIPGRZDW-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308673;MM308673;N=C(N)C1CC(CC=O)C1;KMYGGBIDHAQCJU-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308674;MM308674;CCC(C)(C#N)CNC=O;IEDFXYLYBKWABZ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308675;MM308675;N#CCC1CC(C(=N)N)C1;JQKZRXVRBNCCOO-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308676;MM308676;C=CC(C)(CO)CNC=N;YRTXIRFGHFQTTE-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308677;MM308677;C=C(C)CC(C)(C)NC=O;CSZNUEMIPDZFDX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308678;MM308678;CC(C=O)(CO)CN=CN;WZDDIFYXMITPSC-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308679;MM308679;CC=CCC(C)(C)NC=O;GXOPYYYSSGCREX-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308680;MM308680;CC(C#N)(CO)CNC=N;JXSLPFBWPMPOHE-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308681;MM308681;N#CCC1CC(C(N)=O)C1;SJLVQAUDCVPAJU-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308682;MM308682;CC(C=O)(CO)CNC=O;DMTJTKVJNSINNM-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308683;MM308683;Nc1nc(=O)c(=O)nn[nH]1;QRYLDPOCYNWBJH-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308684;MM308684;CC(C#N)(CO)CNC=O;ZMBLXISGGBENQX-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308685;MM308685;C=C(F)C1CC(CC#N)C1;ZSYXZBLZIRTPGJ-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308686;MM308686;CC(C=O)(CF)CN=CN;HLZAQIBZVASMIR-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308687;MM308687;C=C(C)C1CC(NC=N)C1;ODBZUKAEUMJOAR-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308688;MM308688;CC(=O)C1CC(N=CN)C1;QORYUDGRQAMKDE-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308689;MM308689;C=CC(N)(CC)CNC=N;ZZQMEKVONOGFMD-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308690;MM308690;N=CNC1CC(C(N)=O)C1;VMJSTZHLKCOQIH-UHFFFAOYSA-N;141.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308691;MM308691;C=CC(O)(CC)CNC=N;NIGJBIVBFUUKDW-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308692;MM308692;C=C(F)C1CC(NC=N)C1;IRNJBJHYKFKHTP-UHFFFAOYSA-N;142.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308693;MM308693;CCC(O)(C=O)CN=CN;JDEVONBVAKDPHW-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308694;MM308694;C=C(F)C1CC(NC=O)C1;VZGLUAJGCXAJQC-UHFFFAOYSA-N;143.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308695;MM308695;CCC(O)(C#N)CNC=O;QTPRDPJMGJNEJP-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308696;MM308696;C=COC(=C)CCC(N)=O;CDAMLESLYPLWLB-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308697;MM308697;C=CC(O)(CO)CNC=N;GVIFTVGDSKEYRS-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308698;MM308698;C=C(F)CCOCC(=O)O;YGHRPJOHAXQVNT-UHFFFAOYSA-N;148.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308699;MM308699;C=CC(O)(CO)CNC=O;ZBROKJZIZXOHAO-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308700;MM308700;C=NNC1CC(C(=C)F)C1;MOHWDFOMFSOZQF-UHFFFAOYSA-N;142.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308701;MM308701;NC=NCC(O)(C=O)CO;AOOKTEMQONFLJC-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308702;MM308702;C=COC1CC(C(=C)C)C1;OGEVVYZOPDRUEG-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308703;MM308703;N#CC(O)(CO)CNC=N;QLEGRQMNCZVTAB-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308704;MM308704;C=COC1CC(C(C)=O)C1;UXLHUHXIQSNTMN-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308705;MM308705;O=CNCC(O)(C=O)CO;ZXFDUXURIXPQBF-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308706;MM308706;C=COC1CC(C(=N)N)C1;PWPSCSHGNHFYCN-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308707;MM308707;N#CC(O)(CO)CNC=O;SZKAGOHZZHCIOI-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308708;MM308708;C=COC1CC(C(N)=O)C1;PCECYFVRLZBLSB-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308709;MM308709;N#CC(O)(CF)CNC=N;LEYRPFLMAZKYGU-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308710;MM308710;O=CC(F)(CO)CC(=O)O;HGTKVDGIPGKOCH-UHFFFAOYSA-N;150.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308711;MM308711;N#CC(O)(CF)CNC=O;LCQUGYIRROLMLL-UHFFFAOYSA-N;146.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308712;MM308712;C=COC1CC(C(=C)F)C1;YWNZQWLTRQASAT-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308713;MM308713;C=CC(F)(CC)CNC=N;FMWRHPSOVPOELN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308714;MM308714;C=NOC1CC(C(=C)C)C1;QTDPYFZIGZRMAU-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308715;MM308715;CCCCCNC=O;UBKOTQBYKQFINX-UHFFFAOYSA-N;115.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308716;MM308716;C=C(C=CC(N)=O)C(C)O;SZJKROZRNJENQD-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308717;MM308717;NC=NCC(F)(C=O)CO;LJQLHTXLUCIAGU-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308718;MM308718;C=NOC1CC(C(=C)F)C1;RGAJPGWVIDYZJJ-UHFFFAOYSA-N;143.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308719;MM308719;C=CC(F)(CF)CNC=O;CDDNKGWOJKKGFD-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308720;MM308720;C=CCC1CC(C(C)=O)N1;DLUQVAWZZMSSSI-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308721;MM308721;C=CC(C)(CC)CNN=C;RMWHEPDDMHHXAG-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308722;MM308722;C=CCC1CC(C(=N)N)N1;DDJVDLKPFMRLLW-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308723;MM308723;C=CC(C=C)=CC(N)=O;JUYDBPSQCIKCLE-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308724;MM308724;N=C(N)C1CC(CC=O)N1;RNXZNZYEVPGZSD-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308725;MM308725;C=CC(N)(CN)CNN=C;PMVHQJRHIFXILZ-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308726;MM308726;N#CCC1CC(C(=N)N)N1;XBDOSIJPJYFECO-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308727;MM308727;C=CC(=C)C(C)C(N)=O;KFUBQXZQRGFAPH-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308728;MM308728;CC(=O)C1CC(CC#N)O1;LZUBMJKMRNZLIX-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308729;MM308729;C=NNCC(O)(C#N)CO;CWUXCLQLSCRKDD-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308730;MM308730;N=C(N)C1CC(CC=O)O1;RBRMWLBYTWWGPI-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308731;MM308731;C=CC(F)(CN)CNN=C;QYXLRPZYVZPJTK-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308732;MM308732;N#CCC1CC(C(=N)N)O1;VVUVXPMPZYNZGA-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308733;MM308733;C=CC(C)(CNC=O)NC;KMOGYVHPKWPILW-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308734;MM308734;C=CCN1CC(C(=C)C)C1;PXCFOMWPYIHYMY-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308735;MM308735;CNC(C)(C=O)CN=CN;CETHVTMMTRMIFS-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308736;MM308736;C=C(C)C1CN(CC#N)C1;GRTCTCPAUHUGBV-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308737;MM308737;CNC(C)(C#N)CNC=N;PCGGGSKBWQUINX-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308738;MM308738;C=CCN1CC(C(=N)N)C1;FICGBQLZSZMKJZ-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308739;MM308739;C=CCC(C=C)C(N)=O;KBLADXPTGKJROW-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308740;MM308740;N#CCN1CC(C(=N)N)C1;UHKMQPKDWZPTSJ-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308741;MM308741;COC(C)(C=O)CN=CN;UZBBBXNCXMXHLS-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308742;MM308742;CN(C=C(F)C#N)CC=O;JNQSXZDGLXEOLI-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308743;MM308743;COC(C)(C=O)CNC=O;YRFCZJIUUXLWPL-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308744;MM308744;CCC#CCC=CC(N)=O;PUXSSVPTDVMESM-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308745;MM308745;C=CC(C)(CNN=C)OC;WZLJEAYUSNMTMU-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308746;MM308746;CC=NN=c1[nH]c(=O)[nH]o1;OOVHHAPMJNFPQD-UHFFFAOYSA-N;142.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308747;MM308747;C=COCC(C)(C=C)CC;JAZGBKQHNXBQLV-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308748;MM308748;CC(=O)C1CN(N=CN)C1;GPSBBWNLGACJQA-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308749;MM308749;C=CC(C)(CC)COC=O;MAFRFHLRTOUFDJ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308750;MM308750;CC(=O)C1CN(NC=O)C1;FMAVOWIPJUEBOK-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308751;MM308751;C=COCC(C)(C#N)CC;FGCFDOIECAKOEY-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308752;MM308752;N=CNN1CC(C(=N)N)C1;BFXHYCKJYAXMFT-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308753;MM308753;N=C(N)C1CN(NC=O)C1;GWJXTYSHGHXMPJ-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308754;MM308754;CCC(C)(C=O)COC=O;IZNPTXPRJRFLMN-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308755;MM308755;C=C(F)C1CN(NC=N)C1;UDWQRVJKKGKAMX-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308756;MM308756;CCC(C)(C#N)COC=O;SFHSPEYDZQDZPC-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308757;MM308757;C=C(F)C1CN(NC=O)C1;SDNHSWNUCLPMKV-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308758;MM308758;C=COCC(C)(C=C)CN;ZIZDUKVGGHGQQQ-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308759;MM308759;C=CCC1CN(C(C)=N)C1;YTXPCPAALRBSLO-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308760;MM308760;C=COCC(C)(C=C)CO;WPKPVIOXSILRCA-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308761;MM308761;CC(=N)N1CC(CC#N)C1;ZUNTYECYPLORII-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308762;MM308762;C=COCC(C)(C#N)CF;ASSSWIGXBPHXGC-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308763;MM308763;C=CCC1CN(C(C)=O)C1;GMKMRBQFQOUFPY-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308764;MM308764;C=COCC(N)(C=C)CC;BAPLBFSMLRZHEM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308765;MM308765;CC(=O)N1CC(CC#N)C1;TVVWGOBPEXMPJL-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308766;MM308766;C=CC(N)(CN)COC=O;ARKGKALIMBATAW-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308767;MM308767;C=CCC1CN(C(=N)N)C1;LIZDPGOWQUSUIJ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308768;MM308768;C=COCC(O)(C=C)CC;AJQLCESZNLKYGE-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308769;MM308769;N=C(N)N1CC(CC=O)C1;MKAKHOKKVLQZTO-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308770;MM308770;C=CC(O)(CC)COC=O;YSGKFVHWAWDMQW-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308771;MM308771;N#CCC1CN(C(=N)N)C1;UJBXAWZKZCSGFF-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308772;MM308772;C=COCC(O)(C=C)CO;JWBYWCMFXFHRLH-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308773;MM308773;NC(=O)N1CC(CC=O)C1;FZZZOJDOUGHGLV-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308774;MM308774;C=CC(O)(CO)COC=O;HHSRADSCDKNCKU-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308775;MM308775;N#CCC1CN(C(N)=O)C1;PNYOJVWJRLAKSM-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308776;MM308776;O=COCC(O)(C=O)CO;MYBGTBGBWCDARY-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308777;MM308777;N=C(N)N1CC(NC=O)C1;BMPDWMRIMIOFAY-UHFFFAOYSA-N;142.16;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308778;MM308778;N#CC(O)(CO)COC=O;VKBVIZHLLPREGM-UHFFFAOYSA-N;145.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308779;MM308779;N=CNC1CN(C(N)=O)C1;QZXDUGHVAKIUSI-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308780;MM308780;C=COCC(F)(C=C)CC;YZYJTNHBYMJUAA-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308781;MM308781;NC(=O)N1CC(NC=O)C1;QIDOBWIBIZDMOS-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308782;MM308782;N#CC(F)(CO)COC=O;QQMCCDZXXGQGNZ-UHFFFAOYSA-N;147.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308783;MM308783;CCCCNC(=O)CCC;QJGWNDLRYDTKEI-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308784;MM308784;C=CC(C)(CC)CON=C;FBPLDQPWTDZDNC-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308785;MM308785;C=NNC1CN(C(=N)N)C1;ZLTTWDVCQRXIIL-UHFFFAOYSA-N;141.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308786;MM308786;C=NOCC(C)(C=O)CC;YBSJHXYHVONHLF-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308787;MM308787;C=COC1CN(C(C)=N)C1;CYHNUIIMGGNFOG-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308788;MM308788;C=NOCC(C)(C#N)CC;DWJYZNQOSNTEJE-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308789;MM308789;C=COC1CN(C(C)=O)C1;GZCGJWVABCEBHO-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308790;MM308790;C#CC1(CCC=O)CN1;BJPSESLYVLWJSC-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308791;MM308791;C=COC1CN(C(N)=O)C1;LIQVYPBIXOHKEZ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308792;MM308792;CC(C=O)C1NC1C#N;XZWNFHGFDNXTHP-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308793;MM308793;C=NOC1CN(C(C)=N)C1;ZAXBIQLRVKJISR-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308794;MM308794;C=CCC(C)(C=C)C(N)=O;NOVUZJNNBJYYJD-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308795;MM308795;C=NOC1CN(C(C)=O)C1;QROGIQKDSAOJHC-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308796;MM308796;CN(CC=O)CC(=O)C#N;MWVLZKOPGPSXHT-UHFFFAOYSA-N;140.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308797;MM308797;CCC=NN=C(C)CC=O;QKJKHRBAZHPDQH-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308798;MM308798;C=NOCC(O)(C#N)CO;PXJGPVILNAWXSJ-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308799;MM308799;C#CCC1CC(C(=C)C)C1;JBYXLRRRXGZMSF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308800;MM308800;C=CC(F)(CC)CON=C;VKTBLBFEPGQPSG-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308801;MM308801;C#CCC1CC(C(C)=O)C1;PAYHQGOTIRPFSG-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308802;MM308802;C=CC=C(CC=C)C(N)=O;BDWKLYCQYYOGEH-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308803;MM308803;C#CCC1CC(C(=N)N)C1;OPGQFTDXYOKHFZ-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308804;MM308804;C=COCC(C)(C=C)NC;SXRLKFODRVYXEJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308805;MM308805;C#CCC1CC(C(=O)O)C1;NXKKDQYSIFAMCX-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308806;MM308806;C=COCC(C)(C=O)OC;JSULUDNLLYNZIO-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308807;MM308807;C#CCC1CC(C(=C)C)N1;UQUHGKIROGNBGY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308808;MM308808;C=COCC(C)(C#N)OC;KNKXZOUTEDSGFT-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308809;MM308809;C#CCC1CC(C(C)=O)N1;ZWTHFFVQGJHPQP-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308810;MM308810;C=CCNC(C)(C=C)CC;LKAQQSYXVOGQHC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308811;MM308811;C#CCC1CC(C(=N)N)N1;XCAHZAXCPKEPIC-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308812;MM308812;C=CC(C)(CC)NCC#N;REVAEHGRDZVREX-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308813;MM308813;C#CCC1CC(C(=C)C)O1;NGVQLZIPWRJMNZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308814;MM308814;C=CCNC(C)(C#N)CC;LKOVAEZLSMGKBH-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308815;MM308815;C#CCC1CN(C(C)=N)C1;ZQDWLTPQTUAZPN-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308816;MM308816;CCC(C)(C#N)NCC#N;CCEFDXVKEQTMMB-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308817;MM308817;C#CCC1CN(C(=N)N)C1;KTCMJNBQTFOXSN-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308818;MM308818;CC(N)=C(C(N)=O)C(C)C;MJCQFCOEBWEUOM-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308819;MM308819;C#CCC1CN(C(N)=O)C1;TYHGZQGQXLNFKW-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308820;MM308820;CC(C=O)(CF)NCC#N;GUJGQFLYDPBRRH-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308821;MM308821;CC=CC1CC(C(C)C)C1;GYOOINLHSDPHSF-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308822;MM308822;CCNC(C#N)CCC=O;ZCWKLAFILURXNW-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308823;MM308823;CC(C)C1CC(C=NN)C1;CYFVPDSLPNPDNY-UHFFFAOYSA-N;140.23;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308824;MM308824;C=CC(C)(CN)NNC=N;PKVQQDRIDGMLGV-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308825;MM308825;CC(N)C1CC(C=NO)C1;LWXIXUNFYIEUDR-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308826;MM308826;C=CC(C)(CN)NNC=O;UXABHQYMGYZGAK-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308827;MM308827;CC=CC1CC(C(C)C)N1;QFSFOIRQDPWSSR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308828;MM308828;CC(C=O)(CO)NN=CN;PMTXUBHFPJPOED-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308829;MM308829;CC=CC1CC(C(C)N)N1;LQVCPGPKQDRCCK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308830;MM308830;CC(C#N)(CO)NNC=N;KDLRXXLYYWHGKM-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308831;MM308831;CC=CC1CC(C(C)O)N1;WQAWIMKHMLNOPG-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308832;MM308832;C=CCOC(C)(C=C)CC;CZYGGCUKRYDVHK-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308833;MM308833;CC=CC1CC(C(C)C)O1;XFYMBIUQRMJIJZ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308834;MM308834;C=CC(C)(CC)OCC=O;BWBSIFZZSGDQHJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308835;MM308835;CC=CC1CC(C(C)N)O1;XNGXNCICXJIYEC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308836;MM308836;C=CCOC(C)(C=O)CC;LLKCRPSWYRUJAY-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308837;MM308837;CC=CC1CC(N(C)C)C1;XTOBMYITCOWXMZ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308838;MM308838;C=CCOC(C)(C#N)CC;NZDBRHRNOXWPSO-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308839;MM308839;CN(C)C1CC(C=NN)C1;UWTPCKOIQDVQQL-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308840;MM308840;CCC(C)(C#N)OCC=O;WVWKDUOGLIURTK-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308841;MM308841;CN=CN1CC(C(C)C)C1;GMAVVIWTATVPIG-UHFFFAOYSA-N;140.23;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308842;MM308842;C=CCOC(C)(C=C)CO;GEDSKDWRGMKQHV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308843;MM308843;CC(C)C1CN(C=NN)C1;QRNSQCSPRQMNHD-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308844;MM308844;CC(C=O)(CO)OCC=O;ZSYNAZJANXPKBY-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308845;MM308845;CN=CN1CC(C(C)N)C1;ZNISVUWQBJXSKN-UHFFFAOYSA-N;141.22;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308846;MM308846;C=CC(C)(CF)OCC=O;LBCVYMIMWZVBQD-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308847;MM308847;CN=CN1CC(C(C)O)C1;JIIREXYCNAURAO-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308848;MM308848;CC(C=O)(CF)OCC#N;IQQUOOYRHJAYIJ-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308849;MM308849;CN=CN1CC(C(C)F)C1;BDJZANZRWJAGIE-UHFFFAOYSA-N;144.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308850;MM308850;C=CC(C)(OC)OCC=O;BCPKIYOZYXQSKZ-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308851;MM308851;CC=NN1CC(C(C)C)C1;KVFNTMXDRKHEFD-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308852;MM308852;C=CC(C)(OC)OCC#N;RKJMYLYALCKBRK-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308853;MM308853;CC=NN1CC(C(C)N)C1;BVMRTHJXWOESRL-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308854;MM308854;C=CCOC(C)(C#N)OC;QWVRLPOFHKDXFA-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308855;MM308855;C#CCCCC(=C)C(N)=O;WZUREOLPXDSIPN-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308856;MM308856;C=CC(C)(CC)ONC=N;KVOITUIDVQPGCK-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308857;MM308857;CC=NN1CC(C(C)F)C1;HACHSFROJODTGU-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308858;MM308858;C=CC(C)(CC)ONC=O;KVLMWRGCKPJJRD-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308859;MM308859;CN=CN1CC(N(C)C)C1;ABDGSAMNPLCWRN-UHFFFAOYSA-N;141.22;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308860;MM308860;C=CC(C)(CN)ONC=O;AASCHHJGJXCTDI-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308861;MM308861;CC=CC1CN(C(C)C)C1;CYNKMDGIZJIENM-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308862;MM308862;CC(C#N)(CO)ONC=N;WJCMJBFZCBHDMZ-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308863;MM308863;C=C(C)C1CC(C=CC)C1;NETZIQPRHAZISZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308864;MM308864;CC(C=O)(CO)ONC=O;LMLJSKWKXGSCFO-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308865;MM308865;CC=CC1CC(C(=N)N)C1;XXWRSZZXIOIERP-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308866;MM308866;CC(C#N)(CO)ONC=O;BQCRESFLLJVDLM-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308867;MM308867;CC=CC1CC(C(=O)O)C1;XKRWUTFAGYZTOH-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308868;MM308868;CC(C#N)(CF)ONC=N;ZYVZHBZOJMVTGW-UHFFFAOYSA-N;145.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308869;MM308869;C=C(C)C1CC(C=CC)N1;VEQCJUDVRGFWMM-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308870;MM308870;COC(C)(C=O)ON=CN;NICIRWKTHLFSGR-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308871;MM308871;CC=CC1CC(C(=N)N)N1;FEULLYYHWDAGLJ-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308872;MM308872;C#CCCC(C)(C=C)CC;QCJMMMYEZDUSAJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308873;MM308873;N=C(N)C1CC(C=NN)N1;ZNUAOANKKIPHSV-UHFFFAOYSA-N;141.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308874;MM308874;C#CCCC(C)(C=O)CC;VBUGMMYNEVDCGC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308875;MM308875;C=C(C)C1CC(C=CC)O1;BLQUPERNSWQONI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308876;MM308876;C#CCCC(C)(C=C)CN;LYGGQWARZCTKLX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308877;MM308877;C=C(C)C1CC(C=NN)O1;UWCXTQUNGCONAI-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308878;MM308878;C#CCCC(C)(C=O)CO;JNOWKZWODKWAHF-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308879;MM308879;C=C(C)C1CN(C=NC)C1;QYFHISSVLSWEGU-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308880;MM308880;C#CCCC(C)(C#N)CO;AQPQMEFHCNMGBG-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308881;MM308881;CN=CN1CC(C(C)=O)C1;SCIQXBYGCWNMKQ-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308882;MM308882;C#CCCC(C)(C=C)CF;ORZSSVHYCGILHO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308883;MM308883;CN=CN1CC(C(=N)N)C1;BGLGZIKJTLPRNQ-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308884;MM308884;C#CCCC(C)(C=O)CF;NALBEWANNOVJIH-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308885;MM308885;N=C(N)C1CN(C=NN)C1;QQPAUJDMBVTGLV-UHFFFAOYSA-N;141.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308886;MM308886;C#CCCC(C)(C#N)CF;UDIDXSQUGDEATK-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308887;MM308887;CN=CN1CC(C(N)=O)C1;PMDHGMKIMNJFGD-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308888;MM308888;C#CCCC(N)(C=C)CC;CVTGKQAKMGLEAZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308889;MM308889;C=C(C)C1CN(N=CC)C1;VFVXFJMJHPWUDJ-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308890;MM308890;CCNc1cn(NC)nn1;XCSDUZFVUNFGNO-UHFFFAOYSA-N;141.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308891;MM308891;CNN=COC(=O)C(C)=O;ABGKCWOQBBCUBS-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308892;MM308892;C#CCCC(O)(C=O)CC;USTSMDOPYHMBOB-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308893;MM308893;CC=NN1CC(C(=N)N)C1;XXHVIDGICURUSN-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308894;MM308894;C#CCCC(O)(C#N)CO;WJZFCKPLUOJGLA-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308895;MM308895;C#CCCC=C(C)C(N)=O;CTPLBOGVZQOHTI-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308896;MM308896;C#CCCC(O)(C=O)CF;NHXLPWQXCUKXIB-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308897;MM308897;CC=CC1CN(C(C)=N)C1;VMBSXGSOGKEQHR-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308898;MM308898;C#CCCC(F)(C=C)CC;RTXHSJJTHIRHQR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308899;MM308899;CC=CC1CN(C(C)=O)C1;VOLRTAYFLRBVTC-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308900;MM308900;C#CCCC(F)(C#N)CC;GGXJFGIREHQBRC-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308901;MM308901;CC=CC1CN(C(=N)N)C1;LPVWLEORANLJOX-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308902;MM308902;C#CCCC(F)(C=O)CO;LIBYILZFXZWKEK-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308903;MM308903;CC=CC1CN(C(N)=O)C1;VFLYZLRENZPUTH-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308904;MM308904;C#CCCC(C)(C=C)NC;JUMKXTWITAHMDQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308905;MM308905;CC(=O)N1CC(C=NN)C1;ZVKFNUZROAPBGZ-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308906;MM308906;C#CCNC(C)(C=C)CC;AALHOWAABXYLQL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308907;MM308907;C#CCNC(C)(C#N)CC;KWAYKHMYMNYZFV-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308908;MM308908;N=C(N)N1CC(C=NN)C1;DDNHNDOCCBFSBR-UHFFFAOYSA-N;141.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308909;MM308909;C#CCOC(C)(C=O)CO;BMGNKZGIJQQMAE-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308910;MM308910;C=C(C=CC(C)CO)CO;QXDXZPKIYSLOLZ-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308911;MM308911;C#CCOC(C)(C=C)OC;GJTIQBNWRYQHSN-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308912;MM308912;CC#CC1CC(C(C)C)C1;FSFPIQYXWRERAC-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308913;MM308913;C#CCOC(C)(C#N)OC;UEAXGVHDZCBIBX-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308914;MM308914;CC#CC1CC(C(C)N)C1;JLEMKNVIPSGCTA-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308915;MM308915;C#CC(C)(CC)CCCC;SVHYSVAWGADRIK-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308916;MM308916;C=CN(N)C(=O)COCC;ZJDNDEAFWVSKTF-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308917;MM308917;C#CC(C)(CC)CCCN;ROZWFORFMLPGAD-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308918;MM308918;CC#CC1CC(C(C)F)C1;KFDXNVLBLULQGH-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308919;MM308919;C#CC(C)(CC)CCCO;WMYRYUAVXDWCIL-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308920;MM308920;CC#CC1CC(C(C)C)N1;UJJNPEPTTTVHPX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308921;MM308921;C#CC(C)(CC)CCCF;DWTSIBHRRVTRCH-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308922;MM308922;CC#CC1CC(C(C)N)N1;XRBMWPXMYJWVIA-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308923;MM308923;C#CC(C)(CN)CCCC;IDOACHHNVBAWIP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308924;MM308924;CC#CC1CC(C(C)O)N1;DXGQZRUFAIRQKZ-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308925;MM308925;C#CC(C)(CN)CCCN;XZDRZFMIJBVPKB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308926;MM308926;CC#CC1CC(C(C)C)O1;ZDLGBXFCBKBYFS-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308927;MM308927;C=CC=CC(C)C(N)=O;AFGGVVFVTDRRIN-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308928;MM308928;CC#CC1CC(C(C)N)O1;MWTXWTQTOKLXIO-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308929;MM308929;C#CC(C)(CF)CCCN;AHULBOBQVXVWDQ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308930;MM308930;CC#CC1CC(C(C)O)O1;CCFMYCPRAWZLCM-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308931;MM308931;C#CC(C)(CF)CCCF;CKFZRBNRKANAKW-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308932;MM308932;CC#CC1CC(C(C)F)O1;LIYVKONXRCMEDG-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308933;MM308933;C#CC(N)(CC)CCCC;OAKYRTGGMITBOJ-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308934;MM308934;CC#CC1CC(N(C)C)C1;MHLIUTCIDAXCBK-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308935;MM308935;C#CC(N)(CN)CCCN;WYUXOOIRZABRGB-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308936;MM308936;C=C(C)C1CC(C#CC)C1;CNDCJTVAODXZKF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308937;MM308937;C#CC(N)(CN)CCCO;AAELZLHZEQNOMR-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308938;MM308938;CC#CC1CC(C(C)=O)C1;HRJYIOPXIZVRSX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308939;MM308939;C#CC(N)(CO)CCCN;UFEGIIUKFXPTOC-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308940;MM308940;CC#CC1CC(C(=N)N)C1;JFYNOSBXHKJCGQ-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308941;MM308941;C#CC(N)(CO)CCCO;IQFJTVYCXLRSDU-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308942;MM308942;CC#CC1CC(C(N)=O)C1;PNWQPGQRRBPVLJ-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308943;MM308943;C#CC(O)(CC)CCCC;TXCLTIFWSNGTIK-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308944;MM308944;CC#CC1CC(C(=O)O)C1;VABAPRTUPGOEKE-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308945;MM308945;C#CC(O)(CO)CCCN;AJXPZZPXASIVJI-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308946;MM308946;C=C(F)C1CC(C#CC)C1;SRKOOUMYABBPID-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308947;MM308947;C#CC(F)(CC)CCCO;MFFBEDOUAZQMAU-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308948;MM308948;C=C(C)C1CC(C#CC)N1;ATUMEBZVMOICIA-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308949;MM308949;C#CC(C)(CC)CCNC;CWNQEYDDJPEQCW-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308950;MM308950;CC#CC1CC(C(=N)N)N1;OJRSCRBHBHLEAT-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308951;MM308951;C#CC(C)(CF)CCNC;ICEZFCILCUBPEY-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308952;MM308952;C=C(C)C1CC(C#CC)O1;GIPCCIYFTVCGGA-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308953;MM308953;C#CC(N)(CN)CCNC;YCXMNBVUEVIHPJ-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308954;MM308954;CC#CC1CC(C(=N)N)O1;LXVDYONSDBAZHZ-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308955;MM308955;C#CC(O)(CN)CCNC;FMTVJZDBYAHFKO-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308956;MM308956;CC#CC1CN(C(C)=N)C1;JNBAAHUWTUMTHW-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308957;MM308957;C#CC(F)(CC)CCNC;FHJAYYOBDSVXAY-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308958;MM308958;CC#CC1CN(C(C)=O)C1;OQGJHRPRHSLCPY-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308959;MM308959;C#CC(C)(CC)CCOC;ZACXYDLXDJKVMG-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308960;MM308960;CC#CC1CN(C(=N)N)C1;MTXGSUOPLWPAHO-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308961;MM308961;CC#CC1CN(C(N)=O)C1;ICRBJTGXOOFDQD-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308962;MM308962;C#CC(C)(CO)CCOC;NYNUKDYCCMDDBJ-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308963;MM308963;CC(C)C(=O)C1CC(F)C1;GJMGVNZODGSVFV-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308964;MM308964;C#CC(C)(CF)CCOC;XSGOFKDAYBBDNY-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308965;MM308965;C=C(C)C(=C)C1CC(C)C1;IVLXQDOVLLECSE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308966;MM308966;C#CC(N)(CC)CCOC;ONXZYYOVZXHWHQ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308967;MM308967;C=C(C)C(=C)C1CC(N)C1;FCRURFREAHXUNR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308968;MM308968;C#CC(N)(CN)CCOC;VGOWMDSIXHAGMU-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308969;MM308969;C=C(C)C(=C)C1CC(F)C1;BLZYSELTRNBPSV-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308970;MM308970;C#CC(N)(CO)CCOC;HGBYKZHCRAXWGJ-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308971;MM308971;CC(C)=C(F)C1CC(C)C1;DDYLGYRKSBYBIZ-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308972;MM308972;C#CC(O)(CC)CCOC;HGHZOPGGYIRVHX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308973;MM308973;CC1(N2CC(O)C2)CC1N;QTBFHXVHQDLNRI-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308974;MM308974;C#CC(O)(CN)CCOC;HGUJHHCFPBQORM-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308975;MM308975;Cn1cc[nH]c(=O)onc1;RVKDKCGCXMRLOY-UHFFFAOYSA-N;141.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308976;MM308976;C#CC(O)(CO)CCOC;BGJSQWOQTHQNOR-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308977;MM308977;Nn1cc[nH]c(=O)onc1;BCEFBOGVPICPJY-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308978;MM308978;C#CC(F)(CC)CCOC;FPMLDWGDAJTXRR-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308979;MM308979;O=c1[nH]ccn(O)cno1;OXGXBSIKPVMVAR-UHFFFAOYSA-N;143.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308980;MM308980;C#CC=C(C(=O)O)C(C)O;UDISRMXKBIRCGZ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308981;MM308981;C#CC(C)(CCCC)NC;VENBIVAVKOPTNO-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308982;MM308982;O=C(O)C(CO)(CO)CO;WACQLQIAUWURGA-UHFFFAOYSA-N;150.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308983;MM308983;C#CC(C)(CCCO)NC;SBDCQKRLZZYSPR-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308984;MM308984;OC=C1C=NN=C1;OQZIWWOXWUEDDK-UHFFFAOYSA-N;96.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308985;MM308985;C#CC(C)(CCCF)NC;IWBNEBIPJUJYAX-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308986;MM308986;Cn1cn[nH]c(=O)onc1;DRZXSOYNLFQLRH-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308987;MM308987;C#CC(C)(CCCC)OC;BRKHTXYTIDOTRC-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308988;MM308988;Nn1cn[nH]c(=O)onc1;CRTNYSVKWYLSDG-UHFFFAOYSA-N;143.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308989;MM308989;C#CC(C)(CCCN)OC;TYTJONRTGIOHDK-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308990;MM308990;O=c1[nH]ncn(O)cno1;NGKIGZOKMICJQS-UHFFFAOYSA-N;144.09;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308991;MM308991;C#CC(C)(CCCO)OC;NYICBSLDYNQXER-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308992;MM308992;Cc1onc(C#N)c1O;BSILRMMQAZBELX-UHFFFAOYSA-N;124.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308993;MM308993;C#CC(C)(CCCF)OC;IVAKJXFVRLGERB-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308994;MM308994;CC(C)(NC(N)=O)C(=O)O;FMXWPTBQTITILA-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308995;MM308995;C#CC(C)(CCOC)OC;DYCSEJNCSCCRDD-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308996;MM308996;CCCC(C)CC1CC1C;HZFINUMNBBEFCF-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308997;MM308997;C#CC(C)(CC)CNCC;FYZFMAZMUUWMDV-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308998;MM308998;CNN(CC#N)C(=O)CF;LANOGDAVSFURPS-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM308999;MM308999;C#CC(C)(CO)CNCC;ILMQUMTUKPWCSC-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309000;MM309000;CCCC(F)CC1CC1C;HLJIMPGMEQFTQK-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309001;MM309001;C#CC(C)(CF)CNCC;UIIQJEZILWGOMF-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309002;MM309002;CCCC(C)CC1CC1N;UCSSGJHDHCXJLR-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309003;MM309003;C#CC(N)(CN)CNCC;MMWWAUXWIIKUBT-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309004;MM309004;CCCC(F)CC1CC1N;IEUZKWJJQUOFCF-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309005;MM309005;C#CC(N)(CO)CNCC;GDGPHFFCOYQEAW-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309006;MM309006;NC(CCO)CC1CC1O;QCDXNYASCSGUTR-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309007;MM309007;C#CC(O)(CN)CNCC;RJRBSEHFFFTFQB-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309008;MM309008;NCCC(O)CC1CC1O;KTMUNIAUEXTSGO-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309009;MM309009;C#CC(O)(CO)CNCC;ASURYQUDOAKCOO-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309010;MM309010;CCCC(F)CC1CC1O;OHPRKBNIOWTXIK-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309011;MM309011;C#CC(O)(CF)CNCC;QIZKKMSMGPBIJO-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309012;MM309012;NCCC(N)CC1CC1F;CEZURGJVTYZDLC-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309013;MM309013;C#CC(F)(CC)CNCC;OODZQMKOEWQQSV-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309014;MM309014;CCCC(O)CC1CC1F;UJMDZDRKOGUXAT-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309015;MM309015;C#CC(C)(CC)COCC;PGPSWVOBZKVNMB-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309016;MM309016;CCCC(F)CC1CC1F;TWVPLRGCXVFFOZ-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309017;MM309017;C#CC(C)(CO)COCC;BKKNTGQTGXFHNN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309018;MM309018;CNCC(F)CC1CC1C;YONBQOUAYDHMFT-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309019;MM309019;C#CC(N)(CC)COCC;KPKVAQUUSQQFAH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309020;MM309020;CCNC(C)CC1CC1N;NFONCXIFUBLVHL-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309021;MM309021;C#CC(N)(CN)COCC;PORRVCSQKFHDLJ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309022;MM309022;CCNC(C)CC1CC1O;MNQAPHIUXNOTFH-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309023;MM309023;C#CC(O)(CC)COCC;HNJAPRPGJLVZGP-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309024;MM309024;CC(CCN)NC1CC1F;NMAMTEXLVAIICS-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309025;MM309025;C#CC(C)(COCC)OC;TVXXTCRRAYTLIO-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309026;MM309026;CNCC(C)NC1CC1C;JJEGPIMGDOXFJO-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309027;MM309027;C#CC(C)(CC)NCCC;ZGFQEBHGKYBFRN-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309028;MM309028;CNCC(C)NC1CC1F;ZYNWGCZUAIZNDV-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309029;MM309029;C#CC(C)(CN)NCCN;RYDPPCGWTNCSPX-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309030;MM309030;CC(CCN)OC1CC1C;SQPNQUSMVJSGON-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309031;MM309031;C#CC(C)(CN)NCCO;ALEMKEUITQDOBO-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309032;MM309032;CC(CCN)OC1CC1N;YZIKLQUODAPBJK-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309033;MM309033;C#CC(C)(CF)NCCN;WWRKYSWLHPABPN-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309034;MM309034;CCCN(C)CC1CC1O;FACHNMFEOWNEBD-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309035;MM309035;C#CC(C)(CF)NCCF;RTLIFUQMPIOFQE-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309036;MM309036;CCCN(C)CC1CC1F;QOQWXZGFGWKBEJ-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309037;MM309037;C#CC(C)(CC)OCCC;GVRDARVOBAYMBQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309038;MM309038;CC(CCN)CC1NC1C;JTSBPHPFZUAWIR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309039;MM309039;C#CC(C)(CC)OCCN;OUFVEYBXAKBZEC-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309040;MM309040;CCCC(N)CC1NC1C;KOKLKVRKNJPRGS-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309041;MM309041;C#CC(C)(CC)OCCO;VRHMTLSKJDUVAA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309042;MM309042;CC1NC1CC(N)CCN;ZPRPGUDDCOOBQD-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309043;MM309043;C#CC(C)(CC)OCCF;DSAAYOIYWHMFJQ-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309044;MM309044;CC1NC1CC(N)CCO;OWMZZWVUCROSFL-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309045;MM309045;C#CC(C)(CN)OCCC;LFIHTWHUIMKKIH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309046;MM309046;CNCC(C)CC1NC1C;MPKRIRMYRMULBT-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309047;MM309047;C#CC(C)(CN)OCCN;MBMRUPSCMXVVOV-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309048;MM309048;CC(CCN)CC1OC1C;UFAPCLZYDYGLSG-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309049;MM309049;C#CC(C)(CO)OCCC;FVLJIZDIRVSCQI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309050;MM309050;CNCC(C)CC1OC1C;BPVDYEAXGNIKGW-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309051;MM309051;C#CC(C)(CO)OCCN;WKJDOLQMWAOHOQ-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309052;MM309052;CNCC(O)CC1OC1C;WIFAQOGWXAJUTQ-UHFFFAOYSA-N;145.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309053;MM309053;C#CC(C)(CO)OCCF;DNCVSQKHDBPPPL-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309054;MM309054;CCCN(C)CC1OC1C;BPJOLLCEQDXWOM-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309055;MM309055;C#CC(C)(CF)OCCC;MKSKLDMVFYDJGX-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309056;MM309056;CN1CC1CC(N)CCN;VWVRUWDNSXSYFR-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309057;MM309057;C#CC(C)(CO)OCOC;FTKNMNROTNGEHJ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309058;MM309058;C=NN(C(=N)N)C(=O)C=O;GSKKUYGFUQXHTJ-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309059;MM309059;C#CC(C)(CF)OCOC;YINNYFVFUCCGHJ-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309060;MM309060;CNCC(N)CC1CN1C;BDRHZBAENLOSEM-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309061;MM309061;C#CC(C)(OC)OCCC;HTKQFSFAEGJYKM-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309062;MM309062;CCCN(C)CC1CN1C;KBKWVPAMSNRSAA-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309063;MM309063;C#CC(C)(OC)OCCF;ROJGCTVXPCPBLN-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309064;MM309064;CNCC(C)CN1CC1C;SEAJFKYHMDPPID-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309065;MM309065;C#CC(C)(CC)CCC=C;PUIIWSMLDHZUPS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309066;MM309066;C=CCC(C)CC1CC1C;XZJMJFIAPVJTHK-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309067;MM309067;C#CC(C)(CC)CCC=O;FVWQFGCVUKCOPM-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309068;MM309068;CC1CC1CC(O)CC#N;CNHVZPAMCLMHJK-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309069;MM309069;C#CC(C)(CC)CCC#N;LZVSRUINTNMCHM-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309070;MM309070;C=CCC(C)CC1CC1N;QCSLUDTWSLLNDK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309071;MM309071;C#CC(C)(CN)CCC=C;XCJJFSPBEFJYJZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309072;MM309072;C=CCC(N)CC1CC1N;UPHBORKMCTYQNN-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309073;MM309073;C#CC(C)(CF)CCC=C;SEFQKKQVHMVKRB-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309074;MM309074;C=CCC(O)CC1CC1N;HMNOIQOPLZHCEO-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309075;MM309075;C=CCC(F)CC1CC1F;FVPALQQSLFTEBQ-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309076;MM309076;C#CC(O)(CO)CCC=O;YNPLOFSILIBFFS-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309077;MM309077;N#CCC(F)CC1CC1F;WHGTULFOTWUUEQ-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309078;MM309078;C#CC(F)(CC)CCC=C;JKQAAGSYFCVKBI-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309079;MM309079;CC(CC1CC1C)NC=N;ZBSJPFISGXPQFX-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309080;MM309080;C#CC(C)(CCC=C)NC;JFDVLZGCSQACIY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309081;MM309081;CC(CC1CC1F)NC=N;DHFPSZDQKBNGEZ-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309082;MM309082;C#CC(C)(CCC=C)OC;HRIMEMRXQBUULO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309083;MM309083;C#CC(C)(CCC#N)OC;GSEAAZBVWPZQIV-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309084;MM309084;C=NNC(C)CC1CC1C;AEDGYEZETCTUCL-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309085;MM309085;C#CC(C)(CC)CNC=N;FWLXPWCUJFGNKN-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309086;MM309086;C=NNC(C)CC1CC1N;NTQRVDHXQRIMLE-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309087;MM309087;C=NN(C)C=NCC=O;XPRYDGVKVGJSHI-UHFFFAOYSA-N;127.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309088;MM309088;Nc1c(F)c(F)n(N)c1F;AJYMNDIWYFZIEI-UHFFFAOYSA-N;151.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309089;MM309089;C#CC(C)(CN)CNC=N;WWRFSGCZNAEAKP-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309090;MM309090;C=COC(C)CC1CC1C;SYFAEUVAOWJIMX-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309091;MM309091;C#CCC1=NOC(C=O)C1;HRJRZVPLIACMME-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309092;MM309092;C#CC(C)(CN)CNC=O;KQYIGNMDBFIATG-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309093;MM309093;C=NOC(C)CC1CC1F;LTWGXNBKYXBYLC-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309094;MM309094;C#CC(C)(CO)CNC=O;WBQGZJDKMYZDGN-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309095;MM309095;C=CCC(C)NC1CC1C;PWJOLCVGPCALNR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309096;MM309096;C#CC(C)(CF)CNC=N;CNRCFUDGTQHWAK-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309097;MM309097;C=CCC(C)NC1CC1N;IOCHSWZFFZYXMO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309098;MM309098;C#CC(N)(CC)CNC=N;ALLQUSXYHUNQJN-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309099;MM309099;C=CCC(C)NC1CC1O;KJHYXBIVGVYYEL-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309100;MM309100;C#CC(N)(CC)CNC=O;MOCHLGARBTVWSD-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309101;MM309101;C=CCC(C)NC1CC1F;SJNIJVCLHXGHNL-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309102;MM309102;C#CC(N)(CN)CNC=O;OJIDUTIGEGNUKJ-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309103;MM309103;CC1CC1CN(C)CC#N;GLGHXEHRUHYFLN-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309104;MM309104;C#CC(O)(CO)CNC=N;XUAWVJOJIRSUTE-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309105;MM309105;C=CCN(C)CC1CC1N;XJEXMELRPYZDBH-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309106;MM309106;C#CC(O)(CO)CNC=O;HJNPRNYMOYOBRM-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309107;MM309107;CNc1noc(C#N)c1C;ASYQTSYXQCBZIN-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309108;MM309108;C#CC(F)(CC)CNC=N;GYINCPSWASBTOC-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309109;MM309109;C=CCN(C)CC1CC1F;QDXAGUIZBZFGTJ-UHFFFAOYSA-N;143.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309110;MM309110;C#CC(F)(CO)CNC=N;VLJOZOUDHQNTLD-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309111;MM309111;CN(CC1CC1N)NC=N;UFOQZPKUTCIYDY-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309112;MM309112;C#CC(F)(CO)CNC=O;QDBZKEDKEBWZOX-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309113;MM309113;CN(CC1CC1N)NC=O;OSSCBDZJRFYINQ-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309114;MM309114;C#CC(C)(CC)CNN=C;UWFWNUIHBIKYMW-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309115;MM309115;C=CCC(N)CC1NC1C;YCJPZVGIVFJNMM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309116;MM309116;C#CC(C)(CN)CNN=C;MYGVVEDYBKJDPX-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309117;MM309117;C=CCC(C)CC1OC1C;UKUXPLDXZASCQC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309118;MM309118;C=CCC(O)CC1OC1C;SDSWAMTVWAMPSO-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309119;MM309119;C#CC(N)(CN)CNN=C;IDEZQLDRXYCLQP-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309120;MM309120;C=CCC(C)NC=O;IOOPGIUMYAKOEX-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309121;MM309121;Cc1[nH]c(C#N)cc1N;LMCDIZNRCGYIEY-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309122;MM309122;CC1OC1CN(C)NC=N;XCZNLKKERGHWCN-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309123;MM309123;C#CC(O)(CN)CNN=C;ANNYRTCEOSMGSA-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309124;MM309124;C=CCC(N)CC1CN1C;VNDIFPQNFOBNBN-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309125;MM309125;CC1=NNC(CC=O)C1;BFITXUIIWADRMM-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309126;MM309126;C=CCC(N)CN1CC1C;QLZBJGHRTRDQBE-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309127;MM309127;C#CC(C)(CNC=N)OC;QEASVHZZOMKCDI-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309128;MM309128;C=CCC(F)CN1CC1C;GLRQHZJTIUTOSP-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309129;MM309129;C#CC(C)(CNC=O)OC;FQYYRJCABHWZNP-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309130;MM309130;CC(CN1CC1C)NC=N;WWQXQZUBWIIDQM-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309131;MM309131;C#CC(C)(CC)COC=C;CABBWCGJNJZKCZ-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309132;MM309132;C=NNC(C)CN1CC1C;NKFNKTRCLRLLHN-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309133;MM309133;C#CC(C)(CC)COC=O;ZWVJQBPWSGODJO-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309134;MM309134;C#CCC(C)CC1CC1C;SZHQZQYNIXORLU-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309135;MM309135;C#CC(C)(CN)COC=C;IKLXQJSYRSEOBK-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309136;MM309136;C=CC1CC1C(N)=O;ISGZCVYHHCGKCK-UHFFFAOYSA-N;111.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309137;MM309137;C#CC(C)(CN)COC=O;HIZMWZWYTAUDPF-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309138;MM309138;C#CCC(F)CC1CC1C;WUZUGRIFLLPMIV-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309139;MM309139;C#CC(C)(CO)COC=C;IGZAZAXUVOHBFH-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309140;MM309140;C#CCC(C)CC1CC1N;YYFLEWJHIGZPGW-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309141;MM309141;C#CC(C)(CF)COC=O;SMQSWJIMDKIYDG-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309142;MM309142;O=CCC1NC1CF;CJMAQMYAMFVFNJ-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309143;MM309143;C#CC(N)(CC)COC=C;WWTWRMFLRRJLNZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309144;MM309144;C#CCC(O)CC1CC1O;HIAGIXXZQFSPJM-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309145;MM309145;C#CC(N)(CN)COC=C;PCTOUDRICFVXIO-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309146;MM309146;C#CCC(C)CC1CC1F;KSVXTGDRYAEUDE-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309147;MM309147;C#CC(N)(CN)COC=O;CPOQEGHGHGJNEV-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309148;MM309148;C#CCC(O)CC1CC1F;GZUIDBKTMCFBGL-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309149;MM309149;C#CC(O)(CO)COC=O;MIMSSTCAEBLPHP-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309150;MM309150;C#CCC(C)NC1CC1C;WHIMMILMBKFKAG-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309151;MM309151;C#CC(F)(CC)COC=O;MUMLBXKMGYAKEW-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309152;MM309152;C#CCC(C)NC1CC1N;JKYCLXVIOOSVIZ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309153;MM309153;C#CC(C)(CC)CON=C;KQRXHPQMBSUGOK-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309154;MM309154;C#CC(C)(CF)CON=C;MHHCLESKQJMHQB-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309155;MM309155;C#CCN(C)CC1CC1C;CTPBRDJDEXOSIA-UHFFFAOYSA-N;137.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309156;MM309156;C#CC(O)(CN)CON=C;HDUYZVSLLAPOBE-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309157;MM309157;C#CCC(N)CC1NC1C;LZEUAABGZDEWRC-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309158;MM309158;CCNc1cn(N)nn1;FNDPQTZYMXBISC-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309159;MM309159;C#CCC(N)CC1OC1C;JFEMFEOPZRUIPQ-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309160;MM309160;C#CC(C)(COC=C)OC;PPIRZPPYMQRVEF-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309161;MM309161;C=C(C(N)=O)C1CC1;AVNRGMVELRMJLJ-UHFFFAOYSA-N;111.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309162;MM309162;C#CC(C)(COC=O)OC;ULRMKVQGMKMOJF-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309163;MM309163;C#CCC(N)CN1CC1C;DZKRVTRJKAJIJP-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309164;MM309164;C#CC(C)(CON=C)OC;HECIUCZWJPQUKJ-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309165;MM309165;C#CCC(F)CN1CC1C;KIGMCWGPYMVCAH-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309166;MM309166;C#CC(C)(CC)NCC=C;RRNAOWKHGJZJAK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309167;MM309167;C=C(CCC)CC1CC1C;ZMMYNXSVCGBEJT-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309168;MM309168;C#CC(C)(CC)NCC#N;SMIXOQPIPZORFX-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309169;MM309169;CCCC(=O)CC1CC1C;UJGLCNLOFSRIJG-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309170;MM309170;C#CC(C)(CN)NCC=C;PQLMCAAIYLBNTN-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309171;MM309171;C=C(CCN)CC1CC1N;PEMCBVTUDAFVRY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309172;MM309172;C=NOC1CC1CC=O;YMQUBJOHVOVTSF-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309173;MM309173;C=C(CCN)CC1CC1O;XQNNGKWQLXJWBD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309174;MM309174;C#CC(C)(CC)NNC=N;HYNZEDXZFDNJRZ-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309175;MM309175;CCC(C)=CC(=O)NC;DXTNKKNHDRUDPB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309176;MM309176;N#CC1(C#N)CN=CN1;NHLMNUBVEZUVGP-UHFFFAOYSA-N;120.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309177;MM309177;CCCC(=O)CC1CC1O;FZRWFBZYWIMDPY-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309178;MM309178;C#CC(C)(CN)NNC=N;XRGXEYZQDFYAKE-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309179;MM309179;C=C(CCC)CC1CC1F;QJRUMUFPNYJSEO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309180;MM309180;C#CC(C)(CN)NNC=O;ATAYGSPYLDHWDD-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309181;MM309181;C=C(CCN)CC1CC1F;GJKNLDIWVWZFSV-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309182;MM309182;C#CC(C)(CF)NNC=O;JWXMHKUTGBTXHQ-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309183;MM309183;C=C(CNC)CC1CC1C;JQBQHCHBLVMIDK-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309184;MM309184;C#CC(C)(CC)OCC=O;WPDZUFMMCNPGBL-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309185;MM309185;C=C(CNC)CC1CC1O;MDYBYCDRISVNSP-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309186;MM309186;C#CC(C)(CC)OCC#N;GTVAGCMGDZNZDE-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309187;MM309187;C=C(CNC)CC1CC1F;NXPGQLPXQVYQAZ-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309188;MM309188;C#CC(C)(CN)OCC=C;WHOUGSWQYADEGL-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309189;MM309189;CCNC(=N)CC1CC1C;AHFBOWRSBOOXFW-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309190;MM309190;C#CC(C)(CO)OCC=C;UPRXTQFBNBKIFH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309191;MM309191;CCNC(=N)CC1CC1N;OBYJWOZJPYDHMQ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309192;MM309192;C#CC(C)(CO)OCC=O;GAFADYILHDNTFS-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309193;MM309193;CCNC(=O)CC1CC1N;NLACMAQUDXVLHZ-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309194;MM309194;C#CC(C)(OC)OCC=C;DFWMENWHZOEETP-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309195;MM309195;CCNC(=N)CC1CC1O;OZMOADUZFMCOJI-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309196;MM309196;C#CC(C)(CC)ONC=N;DGPVNOKKVXLLBG-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309197;MM309197;CCNC(=O)CC1CC1O;LVHBLKRWEHNBCJ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309198;MM309198;C#CC(C)(CC)ONC=O;FCYMWLOZNKZGEW-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309199;MM309199;C=C(CC1CC1F)OCC;KVKNOPGTWFNFQW-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309200;MM309200;C#CC(C)(CN)ONC=N;UXPVXPOCPZZDLE-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309201;MM309201;CCCC(=N)NC1CC1C;ZFKJHGPPJUQZSV-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309202;MM309202;C#CC(C)(CO)ONC=N;INULNHIFTLTDMP-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309203;MM309203;CC1CC1NC(=N)CCN;VVLAKTNDZMCLIL-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309204;MM309204;C#CC(C)(CO)ONC=O;NYECEZLTUBGBBN-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309205;MM309205;CCC(C)CNC(C)=O;UBERLXYRZNEDEB-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309206;MM309206;C#CC(C)(OC)ONC=N;KAFRHNOEBVNLFE-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309207;MM309207;CCCC(=N)NC1CC1N;RJGNWODGTHXDLH-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309208;MM309208;C#CCCC(C)(C#C)CC;RRGJGAJEVZYKCL-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309209;MM309209;CNCC(=N)NC1CC1C;ZHEAHJHTEAGHAH-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309210;MM309210;C=CC=CC(C)(C)C(N)=O;UVESPUMQRNADRP-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309211;MM309211;CNCC(=N)NC1CC1N;QPFOHQDFGOWLED-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309212;MM309212;C#CCCC(N)(C#C)CC;RECLNGNUDAZSIT-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309213;MM309213;CCNC(=N)NC1CC1C;SPXBOZKFBSJWCS-UHFFFAOYSA-N;141.22;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309214;MM309214;C#CCCC(N)(C#C)CO;BZWRJTDBXVJOHY-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309215;MM309215;CCNC(=N)NC1CC1N;CRSBTROZZSFVTG-UHFFFAOYSA-N;142.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309216;MM309216;C#CCCC(O)(C#C)CC;UANFYFHHAUKJAJ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309217;MM309217;C=C(CCN)OC1CC1C;CTKPXAZDOWKZFK-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309218;MM309218;C#CCCC(C)(C#C)NC;VBJJHEAUXKTMTC-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309219;MM309219;C=C(CCC)OC1CC1F;PEWMUBHLJPQHQJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309220;MM309220;C#CCNC(C)(C#C)CN;JEVZNTCDRXHNTQ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309221;MM309221;C=C(CNC)OC1CC1C;FLWVHNSITMSJHS-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309222;MM309222;C#CCOC(C)(C#C)CC;ZEOSQSVGSXFHFT-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309223;MM309223;C=C(CNC)OC1CC1N;RQNMBYDCVSVXAR-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309224;MM309224;C#CCOC(C)(C#C)CN;YXCNWAXDUIUEKM-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309225;MM309225;C=C(CNC)CC1NC1C;JXAYBSQIAXBHFF-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309226;MM309226;C=CC(C)(C=C)CCCC;MPVLQEVTLCINPT-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309227;MM309227;CCNC(=N)CC1NC1C;RNAHMDDMJNXOCY-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309228;MM309228;C=CC(C)(C=C)CCCN;CBZUDPPUPXWPKU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309229;MM309229;C=CC1(CC(N)=O)CN1;FHGNQZQFMIWWCN-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309230;MM309230;C=CC(C)(C=C)CCCF;RESVKIZQYHNDDV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309231;MM309231;CCCC(=O)CC1OC1C;WZFRKGIHXFZYDT-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309232;MM309232;C=CC(C)(C=O)CCCC;CDXRCIXIZCGPQV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309233;MM309233;CCNC(=N)CC1OC1C;HCYWKGHRSHFUQA-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309234;MM309234;C=CC(C)(C=O)CCCF;JCMDEWCRWXHXFE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309235;MM309235;CCNC(=O)CC1OC1C;WFGAHMUNKLFTFQ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309236;MM309236;C=CC(C)(C#N)CCCF;PTRHUCVEFZOMKD-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309237;MM309237;C=C(CCN)CC1CN1C;GSGYPDLMKPLGDM-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309238;MM309238;CCCCC(C)(C=O)C=O;FCTCPWYHMJXTCC-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309239;MM309239;CC#CCCCC(N)=O;PZSXEFPBHVBJOS-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309240;MM309240;CC(C#N)(C#N)CCCF;SPABSYDVUCWYGP-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309241;MM309241;CCNC(=N)CC1CN1C;XYLOGVBAUCDFNH-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309242;MM309242;C=CC(N)(C=C)CCCC;UQWZBBMVPXBSQH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309243;MM309243;C=CC(N)(C=C)CCCN;KWFJTVZVEFDYSN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309244;MM309244;CNC(N)=C(C)C(N)=O;JONFNAKKZYUOJP-UHFFFAOYSA-N;129.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309245;MM309245;C=NNC(C=O)CC(=C)F;IQDGNHSPYQZUAP-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309246;MM309246;C=C(CC1CN1C)OCC;UVDROAIPNAQXPP-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309247;MM309247;C=CC(O)(C#N)CCCO;DTPYYHRRENINFT-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309248;MM309248;C=C(CNC)CN1CC1C;OOQZOIJNONTPKL-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309249;MM309249;C=CC(C)(C=C)CCNC;QAYVUJZVKWMFJE-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309250;MM309250;CCCC(=N)NN1CC1C;FTUHOQVBQRLARS-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309251;MM309251;C=CC(C)(C=O)CCNC;OQGXZACIUSWIBF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309252;MM309252;CCCC(=O)NN1CC1C;JTHDIOWSYIXPLP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309253;MM309253;C=CC(C)(C#N)CCNC;WCWCNOTWDUSGML-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309254;MM309254;CCNC(=N)NN1CC1C;UXWGMOKYXTWIKR-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309255;MM309255;CNCCC(O)(C#N)C=O;LCXFRGOMINQCTM-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309256;MM309256;C=CCC(=C)CC1CC1C;APOOZFMIMCQHJC-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309257;MM309257;C=CC(C)(C=C)CCOC;OHOGLGXBOWVXJT-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309258;MM309258;C=CCC(=C)CC1CC1N;HHKWNGAGCIAEGR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309259;MM309259;C=CC(C)(C=O)CCOC;QCCYHPKOXUIZOR-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309260;MM309260;C#CCCC(C)C(N)=O;LQCYSYYMGLIQRG-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309261;MM309261;C=CC(C)(C#N)CCOC;OWXOAVOJEAOTRA-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309262;MM309262;CC#CC1(C)NCC1=O;DUFNRSUHEOOBQF-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309263;MM309263;COCCC(C)(C#N)C#N;BYJNFPWKEVGOMY-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309264;MM309264;N#CCC(=O)CC1CC1O;RQJMJEMOESEUIA-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309265;MM309265;C=CC(N)(C=C)CCOC;NECYPDWUAHDYNE-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309266;MM309266;C=CCC(=C)CC1CC1F;JYSZZCWJVRJQFQ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309267;MM309267;C=CC(O)(C=C)CCOC;HIYALMFNMVCJQK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309268;MM309268;C=C(CC=O)CC1CC1F;JYXWWBWUWUACAG-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309269;MM309269;COCCC(O)(C=O)C=O;IQDCLWLNZBWLIZ-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309270;MM309270;C=C(CC#N)CC1CC1F;FMURPNBYBXCEGL-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309271;MM309271;COCCC(O)(C#N)C#N;BVYHLFOMTXMLMB-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309272;MM309272;C=C(CC1CC1C)NC=N;UCKJMFMGDISTIQ-UHFFFAOYSA-N;138.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309273;MM309273;C=CC(F)(C=C)CCOC;YMTITGBZDTUIRL-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309274;MM309274;CC1CC1CC(=N)NC=N;LQVFTKRMUVTQMR-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309275;MM309275;C=CC(F)(C=O)CCOC;WPEPECUHKMYBFA-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309276;MM309276;C=CN(N)C(=O)COC;OQVNOQNSIMSTEU-UHFFFAOYSA-N;130.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309277;MM309277;C=CC(F)(C#N)CCOC;WHTXHWURLKMRAJ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309278;MM309278;N=CNC(=N)CC1CC1N;FTNQWGPAYFBAHG-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309279;MM309279;COCCC(F)(C#N)C#N;ZUMMPNJJJJFNLP-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309280;MM309280;N=C(CC1CC1N)NC=O;KOQKIOJFTMUYEM-UHFFFAOYSA-N;141.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309281;MM309281;C=CC(C)(C=C)CNCC;QSKBJILCCQKYDQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309282;MM309282;C=C(CC1CC1O)NC=N;JPOQULVWFAEBFK-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309283;MM309283;C=CC(C)(C=O)CNCC;CMRKYOAGZGSXSI-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309284;MM309284;C=CNC(=N)CC1CC1O;LIXLOJIKLMOTJO-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309285;MM309285;C=CC(O)(C=O)CNCC;MMQIMNLJWQJGPN-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309286;MM309286;O=CNC(=O)CC1CC1O;NBHKFKMQBDUMML-UHFFFAOYSA-N;143.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309287;MM309287;CCNCC(O)(C#N)C#N;REFDSHMJSVFVEO-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309288;MM309288;C=C(CC1CC1F)NC=N;JATPHTVHDVCPDV-UHFFFAOYSA-N;142.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309289;MM309289;C=CC(F)(C=C)CNCC;QNNWEQNGGWITMC-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309290;MM309290;N=CNC(=N)CC1CC1F;LYSNJLPKVLYRRG-UHFFFAOYSA-N;143.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309291;MM309291;C=CC(C)(C=C)COCC;UVJBEQMNKQXYGO-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309292;MM309292;CC=CC(=CN)C(N)=O;VEEINWUXNLENCR-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309293;MM309293;C=CC(C)(C#N)COCC;OXJSLLWVRIAZSD-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309294;MM309294;C=CNC(=O)CC1CC1F;IFXPGIPROWPXMD-UHFFFAOYSA-N;143.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309295;MM309295;CCOCC(C)(C=O)C=O;QLISVKXIXHJNCX-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309296;MM309296;C=NNC1=NC(=O)C=N1;MJMRSRWTVBDOSV-UHFFFAOYSA-N;124.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309297;MM309297;CCOCC(C)(C#N)C=O;PWYGHCWXHWJZKY-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309298;MM309298;C#CC(C)C(C)(C)C(N)=O;HEPGMRMFQDIWJX-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309299;MM309299;CCOCC(C)(C#N)C#N;GRFUYYIGLCVCAK-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309300;MM309300;C=NNC(=N)CC1CC1N;LNGWEERGTJPPFB-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309301;MM309301;C=CC(N)(C=C)COCC;DJGWKVFYLNKPPY-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309302;MM309302;C=COC(=O)CC1CC1C;KXRNNYRVSWCXEV-UHFFFAOYSA-N;140.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309303;MM309303;C=CC(O)(C#N)COCC;DCHQTLJIIPJIFR-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309304;MM309304;C=COC(=C)CC1CC1N;WZBGSNBERVPMDV-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309305;MM309305;CCOCC(O)(C=O)C=O;XMHMYMPARNGTIZ-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309306;MM309306;C=COC(=O)CC1CC1N;HWNINQJGIBGZFT-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309307;MM309307;CCOCC(O)(C#N)C=O;OTUHHJSVSKMXRF-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309308;MM309308;C=COC(=C)CC1CC1O;CCCSYPROKGWJLI-UHFFFAOYSA-N;140.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309309;MM309309;CCOCC(O)(C#N)C#N;ULRDDOXOGNMEOR-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309310;MM309310;C=NOC(=O)CC1CC1C;COAYGYMZQSCXTF-UHFFFAOYSA-N;141.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309311;MM309311;C=CC(F)(C=C)COCC;RQBDNPIBMVOMNF-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309312;MM309312;C=CCC(=N)NC1CC1C;LGCUPBSUSTZVET-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309313;MM309313;CCOCC(F)(C#N)C=O;LWYJZIYCEUGKOK-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309314;MM309314;CC1CC1NC(=N)CC#N;UNKWLVAJQPTRFR-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309315;MM309315;CCOCC(F)(C#N)C#N;NQCBCWUKRIGGMM-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309316;MM309316;CC1CC1NC(=O)CC#N;SOFJPQGTXQZZOO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309317;MM309317;C=CC(C)(C=C)NCCC;WYQCXOZIVQRQFP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309318;MM309318;C=CCC(=N)NC1CC1N;SDEGBCCNQRDDNK-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309319;MM309319;C=CC(C)(C=C)NCCN;MNMLIQFQRNKDCR-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309320;MM309320;C=CCC(=O)NC1CC1N;JMFYFQCTGZRFKB-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309321;MM309321;C=CC(C)(C=C)NCCO;NZFZOBADPISDFN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309322;MM309322;C=CCC(=N)NC1CC1O;CAIPFMVBBWPSPE-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309323;MM309323;C=CC(C)(C#N)NCCC;QSKAIWUZCUQQRA-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309324;MM309324;C=CCC(=O)NC1CC1O;WZVGEXZWEXGSBX-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309325;MM309325;C=CC(C)(C#N)NCCF;LVTMEPNIBRECQP-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309326;MM309326;N#CCC(=N)NC1CC1F;LMAXNHUUVZTFKG-UHFFFAOYSA-N;141.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309327;MM309327;CCCNC(C)(C#N)C=O;ZIBPHMZJMXRLGW-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309328;MM309328;N#CCC(=O)NC1CC1F;QAYZPUPXTSLUJY-UHFFFAOYSA-N;142.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309329;MM309329;CCCNC(C)(C#N)C#N;FGQZLDJVISDYKP-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309330;MM309330;CNN=CCC(=O)COC;LEPGLKGXMDGORQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309331;MM309331;C=CNC(=N)NC1CC1C;BRZXFKIXMBKXOD-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309332;MM309332;CC=NN(C)C=NCC=O;CVBBFDAYKQGBNO-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309333;MM309333;CC1CC1NC(=N)NC=N;PPCFNHGPRWPRQA-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309334;MM309334;CC(C=O)(C=O)NCCF;JWQJDKRJZKJNHC-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309335;MM309335;C=CNC(=O)NC1CC1C;AVRVGCBCCPTUNB-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309336;MM309336;C=CC(C)(C=C)OCCC;VOTSRUKKJNTRDP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309337;MM309337;C=C(CO)CC(C)C(C)O;WSERWUIMQPDZQL-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309338;MM309338;C=CC(C)(C=C)OCCN;QJOGGEKKDBNIRI-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309339;MM309339;C=CNC(=N)NC1CC1N;RNVWNBBWSZUJMV-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309340;MM309340;C=CC(C)(C=C)OCCO;SBBJSYWDPGYJSW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309341;MM309341;N=CNC(=N)NC1CC1N;JQMSQGGJSBJRMO-UHFFFAOYSA-N;141.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309342;MM309342;C=CC(C)(C=C)OCCF;NTNMKURSHLUUQP-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309343;MM309343;C=CNC(=N)NC1CC1O;VOMRIHBJRYXKHB-UHFFFAOYSA-N;141.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309344;MM309344;C=CC(C)(C=O)OCCC;ORHNXUBGPLAXPN-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309345;MM309345;C=NNC(=N)NC1CC1C;MJDYBPZVZNHUDJ-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309346;MM309346;C=CC(C)(C#N)OCCC;LGFMWYNGLOKPQZ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309347;MM309347;C=CCC(=C)OC1CC1C;AWLUHXBMNXIMOA-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309348;MM309348;C=CC(C)(C#N)OCCO;KTFXJMNUCKCZNG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309349;MM309349;C=C(CC#N)OC1CC1C;UBSTZLBAJZCCCA-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309350;MM309350;C=CC(C)(C#N)OCCF;AOSJHYCIVJZTDE-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309351;MM309351;C=CCC(=O)OC1CC1C;TXYOGPJTRKZERW-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309352;MM309352;CCCOC(C)(C=O)C=O;HRFCTLZZVAKMPU-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309353;MM309353;CC1CC1OC(=O)CC#N;KWJUJSNXPAQZLW-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309354;MM309354;CCCOC(C)(C#N)C=O;UURSMQWFDNCOGZ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309355;MM309355;C=CCC(=C)OC1CC1N;USJRMJIXGAOBLK-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309356;MM309356;CCCOC(C)(C#N)C#N;YXSLEMOLMIJPHC-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309357;MM309357;C=CCC(=C)OC1CC1O;VPGDWHYGBYKURC-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309358;MM309358;C=CC(C)(C=C)OCOC;OESMSXHRHCOKKG-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309359;MM309359;N#CCC(=O)OC1CC1O;GJSVXYHJFBYYEV-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309360;MM309360;C=CC(C)(C#N)OCOC;OMKFUTACAUYOTO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309361;MM309361;C=CCC(=C)OC1CC1F;ZIQCZTITNLKMDW-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309362;MM309362;COCOC(C)(C=O)C=O;HJXGEUWXEDQBCI-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309363;MM309363;C=C(NC=N)OC1CC1C;NMZYRQUZZCHLHJ-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309364;MM309364;C=CCCC(C)(C=C)C=C;HZPIHIVPBYBVDM-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309365;MM309365;C=C(NC=O)OC1CC1C;ZJKTXBCJYWSNOO-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309366;MM309366;C=CC(C)(C=C)CCC=O;QOPMJLLBAPDQKJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309367;MM309367;C=CNC(=N)OC1CC1C;JZIQKZSDPMXECP-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309368;MM309368;C=CC(C)(C=C)CCC#N;LCSULJYAGLSRSD-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309369;MM309369;C=CNC(=N)OC1CC1N;OBLPOHNVNAVOSC-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309370;MM309370;C=CCCC(C)(C#N)C=C;BDCPJFXNZDDVHK-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309371;MM309371;C=C(NC=N)OC1CC1O;SVNYUZXIOUDAEL-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309372;MM309372;C=CC(C)(C#N)CCC=O;KWZNBCYIMZYJMU-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309373;MM309373;C=C(CO)CC1CC1(C)O;ZNAHMJKMDHLJDV-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309374;MM309374;C=CC(C)(C#N)CCC#N;VZRCHCJPLCHGCN-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309375;MM309375;C=NNC(=N)OC1CC1N;RXNLCYAAPMKTBY-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309376;MM309376;C=CCCC(C)(C#N)C#N;HZUFUMDAYXOMMU-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309377;MM309377;C=CNC(=N)CC1NC1C;OJPMRDXNNMNKOS-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309378;MM309378;CC(C=O)(C=O)CCC=O;BJRPCVJFUFSUIE-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309379;MM309379;C=CCC(=C)CC1OC1C;AVFKOGVBDJZSLU-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309380;MM309380;CC(C#N)(C=O)CCC=O;LIHILMGHBIFJSF-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309381;MM309381;C=C(CC#N)CC1OC1C;CLXLXPCLXUCEGG-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309382;MM309382;CC(C#N)(C=O)CCC#N;VPLTVHHZASQXDH-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309383;MM309383;C=CCC(=O)CC1OC1C;VVSUFMVBWOBJNF-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309384;MM309384;C=CCCC(N)(C=C)C=C;PBMNOEDPJUWCFL-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309385;MM309385;C=C(CC1OC1C)NC=N;DGDREGJEZHUPNN-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309386;MM309386;C=CC(O)(C=C)CCC=O;FGDGFKDAQMBGEK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309387;MM309387;C=C(CC1OC1C)NC=O;KAUGBPPZFAHGRL-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309388;MM309388;C=CNC(=N)CC1OC1C;ZXVUUIORPOCLES-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309389;MM309389;C=CC(O)(C=O)CCC#N;VGTPNVZJUZWSKH-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309390;MM309390;CCNC(=O)CCC(C)C;TYEUYJGQZBODGZ-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309391;MM309391;N#CC(O)(C=O)CCC=O;FJXKUQHTNPDBHU-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309392;MM309392;C=CNC(=O)CC1OC1C;DHYZSGKTDOLGJT-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309393;MM309393;N#CC(O)(C#N)CCC=O;LQJAJTIVIDGOQQ-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309394;MM309394;NN=CCCC=CC(N)=O;CJKFAUWPBRLZPF-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309395;MM309395;O=CCCC(F)(C=O)C=O;BQIKHZSHONMUED-UHFFFAOYSA-N;146.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309396;MM309396;C=COC(=C)CC1OC1C;YNQUBAKMHZAMSD-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309397;MM309397;C=CC(C)(C=C)CNC=N;DWEZNRWGSMAYQR-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309398;MM309398;CC=COCC=CC(N)=O;YVMAKOTVOLPKIY-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309399;MM309399;CC1(C#N)CC(C=O)CN1;GWNBUQWCVVDPBT-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309400;MM309400;C=C(CC#N)CC1CN1C;GIMIELLGWFMEMW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309401;MM309401;C=CC(C)(C#N)CNC=N;PFLJYNQFHSRCQC-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309402;MM309402;COCC=CC=CC(N)=O;PESPCILSXNEDME-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309403;MM309403;CC(C#N)(C=O)CN=CN;GBBWBMGKQABSCC-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309404;MM309404;C=CNC(=N)CC1CN1C;CZIGVXLQZJRASS-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309405;MM309405;C=CC(N)(C=C)CNC=N;CHWUOLHFZBOLAW-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309406;MM309406;CN1CC1CC(=N)NC=N;GDRYZRCUKYACJI-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309407;MM309407;C=CC(N)(C=C)CNC=O;VACFYBVELWHRHG-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309408;MM309408;CCCCCC(=O)NCC;BZWNNMQUYVVGJM-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309409;MM309409;C=CC(O)(C=C)CNC=O;HXCKKTQQYHGCGT-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309410;MM309410;CC=CN(N)C(=O)COC;WZHXQQKXLLOHDT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309411;MM309411;C=CC(O)(C=O)CN=CN;HFECVDHFQNKFID-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309412;MM309412;C=C(CC1CN1C)OC=O;MUVUGTXJCSIGRV-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309413;MM309413;CC(C=O)NC(C#N)C=O;UGXOVUGFCIDJEK-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309414;MM309414;C=CC(O)(C#N)CNC=N;NBKVTMLSBALYNI-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309415;MM309415;C=C(CO)CC(CC)CO;GBDJNGMISQKHTH-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309416;MM309416;C=CC(O)(C=O)CNC=O;FCNOTYWDVUBFPJ-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309417;MM309417;C=CNC(=N)CN1CC1C;PIHSDWXSEZHHIN-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309418;MM309418;NC=NCC(O)(C=O)C=O;IFOXVZYKJDVHTD-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309419;MM309419;CC1CN1CC(=N)NC=N;AWVYDNVPFNHESY-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309420;MM309420;N#CC(O)(C=O)CN=CN;OAUNKKVZDSVCQZ-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309421;MM309421;CNC(C#N)C#CC(C)=O;DQEDETZZEQJUEE-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309422;MM309422;C=CC(F)(C=C)CNC=N;VMDZWCHPQBNVRZ-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309423;MM309423;C=COC(=O)CN1CC1C;FASZJLHXVKVZBX-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309424;MM309424;C=CC1(CCC(N)=O)CC1;ZUYKDJJMZZWVER-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309425;MM309425;C=CCC(=N)NN1CC1C;CWAYSKFTEBRSLI-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309426;MM309426;N=CNCC(F)(C=O)C=O;FHEMZXOTIKEHNT-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309427;MM309427;C=CCC(=O)NN1CC1C;PRPLLYVFLIYLJK-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309428;MM309428;C=CC(C)(C=C)CNN=C;AAGBWXRQOQNFKQ-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309429;MM309429;C#CCC(=C)CC1CC1C;PBWKJWHYERIYDZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309430;MM309430;CC(C=O)N(C)C(=N)C=O;MMPTVGKBFRUPJK-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309431;MM309431;C#CCC(=C)CC1CC1N;YQDIMVZGBZWHHF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309432;MM309432;C=Cn1onc(NN)c1=O;SXYDUBUTXXIICB-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309433;MM309433;C#CC#CC(C#N)N(C)C;GISUYVYTBDCWFP-UHFFFAOYSA-N;132.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309434;MM309434;C=CC(N)(C=C)CNN=C;FGFQDVYPRNGRDZ-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309435;MM309435;C#CCC(=C)CC1CC1F;LVNRYTIBCBSQMO-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309436;MM309436;CC1(C)CC1CC(N)=O;BZOXSGKVRDAOPV-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309437;MM309437;C#CCC(=N)NC1CC1C;BMRLISQAYDBBGO-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309438;MM309438;C#CCC(=N)NC1CC1N;MGZSZNIWFKBPBQ-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309439;MM309439;C=COCC(C)(C=C)C=C;IAEAADYETMQGLF-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309440;MM309440;C#CCC(=O)NC1CC1O;CNGBHPRMUVHORP-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309441;MM309441;C=CC(C)(C=C)COC=O;DSGAITLICXRUGK-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309442;MM309442;C#CCC(=N)NC1CC1F;ULZCTQZEYRGBON-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309443;MM309443;C=COCC(C)(C#N)C=C;BTNDSTFNHUJFKI-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309444;MM309444;C#CCC(=C)OC1CC1C;QNLVRRSEQSRUKJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309445;MM309445;C=CC(C)(C#N)COC=O;WHLYDPXQYDACNF-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309446;MM309446;C#CCC(=C)OC1CC1N;CUPITABXPGMEBW-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309447;MM309447;C=COCC(C)(C#N)C=O;KWRXOXNVOOSOPR-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309448;MM309448;C#CCC(=O)OC1CC1O;YYTAAFHIPQFREB-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309449;MM309449;CC(C#N)(C=O)COC=O;WNWWSBVAIDMAJA-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309450;MM309450;C#CCC(=C)CC1OC1C;CODGJQCTIYJSQT-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309451;MM309451;C=COCC(N)(C=C)C=C;PNTQLJDJPCFFLA-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309452;MM309452;C#CCC(=O)NN1CC1C;DEXUPNCBWJSQOF-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309453;MM309453;C=CC(N)(C=C)COC=O;DFIIBXQIXPOJNN-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309454;MM309454;CC=CC(N)CC1CC1C;FYSVDHFXZIYIKU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309455;MM309455;C=COCC(O)(C=C)C=C;LRZSKNNXJNFUHK-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309456;MM309456;CCC(=CCOC)C(N)=O;PCOPVKLMGAHCGD-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309457;MM309457;C=COCC(O)(C=O)C=O;VUTTVFFKZOFMEW-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309458;MM309458;CC=CC(F)CC1CC1C;LQJIVTRRTDGDOG-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309459;MM309459;C=COCC(O)(C#N)C=O;HGIZOLAQXDOBAT-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309460;MM309460;CC=CC(N)CC1CC1N;MPNQNMCMJZPZBW-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309461;MM309461;O=COCC(O)(C=O)C=O;XDFWIPSZOGXPAP-UHFFFAOYSA-N;146.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309462;MM309462;CC=CC(O)CC1CC1N;UOKVBGYAXHOUTG-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309463;MM309463;N#CC(O)(C#N)COC=O;VTTBSBQQYWQXDE-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309464;MM309464;CC=CC(F)CC1CC1N;PDYDLDCCWORAOF-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309465;MM309465;CC(=CC1C(C)C1O)CO;SCFOASPBFZYTJR-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309466;MM309466;C=COCC(F)(C=C)C=C;WRFWOFXVJQVQAM-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309467;MM309467;CC=CC(N)CC1CC1O;HYZWMZHRIIGBSR-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309468;MM309468;C=CC(F)(C=C)COC=O;GGGIGLNSSIABIS-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309469;MM309469;CC=CC(O)CC1CC1O;JMLMWQCSBRBBDH-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309470;MM309470;C=COCC(F)(C=C)C=O;OGAYJPZXTSFPJX-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309471;MM309471;CC=CC(F)CC1CC1O;DXQKZABEZPAYKF-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309472;MM309472;C=COCC(F)(C#N)C#N;NNDNWTNIMPFVAI-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309473;MM309473;CC=CC(C)CC1CC1F;ZITFUWPZOYEFCN-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309474;MM309474;C=CC(C)(C=C)CON=C;LGDLSKNONYBLIZ-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309475;MM309475;CC=CC(N)CC1CC1F;DONNJHGFOGZJTN-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309476;MM309476;C=NOCC(C)(C=O)C=O;WTLOEWRBQUEHFJ-UHFFFAOYSA-N;143.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309477;MM309477;CC(C=NN)CC1CC1F;HRDGDUORBIOVEJ-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309478;MM309478;C=NOCC(C)(C#N)C#N;WMEPRVPWJCYCHN-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309479;MM309479;CC=CC(C)NC1CC1C;UPMTZBHUWBQOMN-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309480;MM309480;C=NOCC(O)(C=O)C=O;IJWUPALUFJFIGF-UHFFFAOYSA-N;145.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309481;MM309481;CC=CC(C)NC1CC1N;FWKXYELVRBIIEV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309482;MM309482;C=CC(F)(C=C)CON=C;VCXXGZXQGHSKRZ-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309483;MM309483;CC=CC(C)OC1CC1C;PRQHLRMKOMGMDB-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309484;MM309484;C=CCNC(C)(C=C)C=C;HCOTUCZNHPWCKH-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309485;MM309485;CC=CC(C)OC1CC1N;JPXFRFZTYJNDHH-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309486;MM309486;C=CC(C)(C=C)NCC#N;ZDVFCGRXJJYAGJ-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309487;MM309487;CC=CC(C)OC1CC1O;FKFSZZCWHDECJZ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309488;MM309488;C=CCNC(C)(C#N)C=C;AXKMZQWHBKQTLS-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309489;MM309489;CN=CN(N)CC1CC1C;STLWEOZBGYICHD-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309490;MM309490;CN=CN(C)CC1CC1O;CIPSXBAHWOTVBF-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309491;MM309491;CC1CC1(C)CC(N)=O;OYTGNGXCWBQRQV-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309492;MM309492;CN=CN(C)CC1CC1F;CDWRBLKHJMITGA-UHFFFAOYSA-N;144.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309493;MM309493;C=CC(C)(C#N)NCC#N;WOETYWLYLOSKRD-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309494;MM309494;CC=NN(C)CC1CC1C;NVZQVHMIXRKZTO-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309495;MM309495;C=CCNC(C)(C=O)C=O;MRDCSPCAKVYXID-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309496;MM309496;CCNN=CC(C=O)CC;GVEXZXAAFMTKTJ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309497;MM309497;C=CCNC(C)(C#N)C=O;VUMIWGIWBYFABT-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309498;MM309498;CC=NN(C)CC1CC1F;RGSFLUINKIVQDF-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309499;MM309499;CC(C#N)(C=O)NCC#N;ILFLJVFXZOJHPC-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309500;MM309500;CC=CC(N)CC1NC1C;JAXZBORGIGQTLC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309501;MM309501;CC(C#N)(C#N)NCC#N;DWMZHBRBFNZVPS-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309502;MM309502;CN=CN(C)CC1NC1C;OKNURMIOGMZTGP-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309503;MM309503;C=CC(C)(C#N)NNC=N;LRVDVZTZLVJLAI-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309504;MM309504;CC=CC(C)CC1OC1C;NZYXVWMWALFQQQ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309505;MM309505;C=CC(C)(C#N)NNC=O;HFNPUCYJXJOIMT-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309506;MM309506;CC=CC(N)CC1OC1C;YZRLNCZUUZLFIE-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309507;MM309507;CC(C#N)(C=O)NNC=O;MEXGHJVHZUIYRO-UHFFFAOYSA-N;141.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309508;MM309508;CC=CC(O)CC1OC1C;RWDXEQMMNRTRLY-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309509;MM309509;C=CCOC(C)(C=C)C=C;BDOUEPLNXIDMNU-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309510;MM309510;CC=CC(N)CC1CN1C;YJMMTPBLHOQUNX-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309511;MM309511;C=CC(C)(C=C)OCC=O;KUXPQDODCCKTJL-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309512;MM309512;CC1CC1C(N)=O;FGJUPRFXIMWVNF-UHFFFAOYSA-N;99.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309513;MM309513;CC=NN(C)CC1CN1C;PVHZBYJMLMETKQ-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309514;MM309514;C=CC(C)(C=C)OCC#N;DRPPUWUTUJGTHM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309515;MM309515;CC=CC(N)CN1CC1C;QAORZMFXUAZDCT-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309516;MM309516;C=CCOC(C)(C=C)C=O;AHYYVEJJGXUNBQ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309517;MM309517;C=C(C=CC)CC1CC1C;WMRSKMHZCWZUEV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309518;MM309518;C=CCOC(C)(C#N)C=C;PAOWRYKJHIULCB-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309519;MM309519;CC=CC(=O)CC1CC1C;FHJCWCRRJDGOSU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309520;MM309520;C=CC(C)(C#N)OCC=O;QBXNELKVSMEHLO-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309521;MM309521;CC1CC1CC(=O)C=CN;YDTMVYPTDNPLMJ-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309522;MM309522;C=CCOC(C)(C#N)C=O;AKBSNQQMHKALBI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309523;MM309523;C=C(C=CC)CC1CC1N;ANAWYSBAHQZUGQ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309524;MM309524;CC(C#N)(C#N)OCC=O;IWICQFKMECKCJB-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309525;MM309525;CN1CC1CC(N)=O;MJYHICJTZKNHHG-UHFFFAOYSA-N;114.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309526;MM309526;C=CC(C)(C=C)ONC=N;ZYMFNVNGVRYGRK-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309527;MM309527;CC=CC(=O)CC1CC1O;DAUPJDKHLLUEPF-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309528;MM309528;C=CC(C)(C#N)ONC=N;ZOHVDEBNQNRFAM-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309529;MM309529;NC=CC(=O)CC1CC1O;RSYWGVJZIGZBHP-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309530;MM309530;C#CCCC(C)(C=C)C=C;QEVDCTCJHBGTEI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309531;MM309531;C=C(C=CC)CC1CC1F;FGKVWVXNYDPTCU-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309532;MM309532;C#CCCC(C)(C#N)C=C;CNFSHRDIFUTGJD-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309533;MM309533;C=C(C=NN)CC1CC1C;RBCIHUDWOCSLRS-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309534;MM309534;C#CCCC(C)(C#N)C=O;YEWBWESXDYYSEI-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309535;MM309535;CC=CC(=N)NC1CC1C;ROGBSMGXASLPPS-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309536;MM309536;C#CCCC(C)(C#N)C#N;IOTPMOFLFMKDIZ-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309537;MM309537;CC1CC1NC(=N)C=CN;HNNHDEOLHFDQIN-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309538;MM309538;CN1C(C#N)C1C=O;XWHFNPMALGGLPS-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309539;MM309539;CCC(C)(C)CNC=O;MYHNYPZXRQFRHK-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309540;MM309540;C=C(C=NN)OC1CC1C;IHBMWGDFSXCSAN-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309541;MM309541;C#CCCC(O)(C=C)C=O;QKTHTQKUMPWSIE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309542;MM309542;C=C(C=CC)CC1OC1C;GHWBVAGSCGZXNL-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309543;MM309543;C#CCCC(O)(C#N)C=C;AWVTZEWMAFEUIU-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309544;MM309544;CC=CC(=O)CC1OC1C;KUYLDPUQCGZPRG-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309545;MM309545;C#CCOC(C)(C#N)C=C;UCHBLAXYUYGHPL-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309546;MM309546;CC1OC1CC(=O)C=CN;ROJDAUCGEXARSA-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309547;MM309547;C#CCOC(C)(C#N)C#N;FVKNVDHUVVQOER-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309548;MM309548;C=C(C=NN)CC1OC1C;OBZSBYSEDIGOGV-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309549;MM309549;C#CC(C)(C=C)CCCC;IMIRDWWKCGRQTL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309550;MM309550;CC(=O)NCCC(C)C;XWDCLPNMPBQWCW-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309551;MM309551;C#CC(C)(C=C)CCCN;AMOZUJWBZSIMIK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309552;MM309552;CC(O)CC=CC(N)=O;DSFKUXSFJJWXFT-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309553;MM309553;C#CC(C)(C=C)CCCO;NIBLFUGQLGTUFR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309554;MM309554;C=C(C=CC)CN1CC1C;TWMLXJXSPBSBFZ-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309555;MM309555;C#CC(C)(C=C)CCCF;JPFUUEHXMMJHIM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309556;MM309556;CC=CC(=O)CN1CC1C;YQZMBCGCOXLQRB-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309557;MM309557;C#CC(C)(C=O)CCCC;YBYLVPBCYUHBTM-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309558;MM309558;CC1CN1CC(=O)C=CN;WNCBJIUBBPCNLN-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309559;MM309559;C#CC(C)(C#N)CCCO;YCNWXCKFFNPAMN-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309560;MM309560;CC=CC(=N)NN1CC1C;GHSNDTAKXRPFRU-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309561;MM309561;C#CC(C)(C#N)CCCF;NKRXQBSVVKYUIH-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309562;MM309562;CC1CN1NC(=O)C=CN;BNSGDVWPOGTVNV-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309563;MM309563;C#CC(N)(C=C)CCCC;WJRZQIJMMQHNCG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309564;MM309564;CC#CC(C)CC1CC1C;LYOGCCCCRMJBDW-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309565;MM309565;CC#CC(N)CC1CC1C;QHIPNEVWJIGMJZ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309566;MM309566;C#CC(O)(C=C)CCCC;DGIMUSVUQUXGQX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309567;MM309567;CC#CC(O)CC1CC1C;SFWXYLVGYKENOL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309568;MM309568;C#CC(O)(C=C)CCCN;DBRAAFBXRMYJOP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309569;MM309569;CC#CC(F)CC1CC1C;ZLNTXYZXGZLMDR-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309570;MM309570;C#CC(C)(C=C)CCNC;LZFYPDRKIGPKQP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309571;MM309571;CC#CC(C)CC1CC1N;XBOPPMJSRFACCQ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309572;MM309572;C#CC(C)(C#N)CCNC;DVVYFKVSEJQFLD-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309573;MM309573;CC#CC(N)CC1CC1N;KZXXBNQSGLJNMR-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309574;MM309574;C#CC(C)(C=C)CCOC;MNOHRTPTAPQAHE-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309575;MM309575;CC#CC(F)CC1CC1N;HCILYTZMRUOTHX-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309576;MM309576;C#CC(C)(C=O)CCOC;BZQYNOXKMFAGPD-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309577;MM309577;CC(C=CC(N)=O)CO;NSNQJFXSDUGXCD-UHFFFAOYSA-N;129.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309578;MM309578;C#CC(C)(C#N)CCOC;YIXOTNJOWPXCNS-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309579;MM309579;CC#CC(N)CC1CC1O;BVZIRMBMRQCOCX-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309580;MM309580;C#CC(N)(C=C)CCOC;VINSYNCSZSXAGN-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309581;MM309581;CC#CC(O)CC1CC1O;SPQUMQGWGUGCNU-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309582;MM309582;C#CC(F)(C=C)CCOC;NTLNMFMVKCQDLU-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309583;MM309583;CC#CC(F)CC1CC1O;MYYFGFVYIKHBIU-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309584;MM309584;C#CC(F)(C#N)CCOC;ZZVCUVQKLDDUNB-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309585;MM309585;CC#CC(C)NC1CC1C;LPMLVJGYZOEULM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309586;MM309586;C#CC(C)(C=C)CNCC;FSMYNCBTUJSKAX-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309587;MM309587;CC#CC(C)NC1CC1N;LGXSJWWUAAPIJP-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309588;MM309588;C#CC(F)(C=C)CNCC;ZHQXQEULQGDDNN-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309589;MM309589;CC#CC(C)OC1CC1C;RENSYWUSVZPEKC-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309590;MM309590;C#CC(F)(C#N)CNCC;YXSGFLGQPROJCX-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309591;MM309591;CC#CC(N)CC1NC1C;WRCHIEJLLWCESP-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309592;MM309592;C#CC(C)(C=C)COCC;RFNASRPNBPTLQI-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309593;MM309593;CC#CC(C)CC1OC1C;HVTCUDFHJMMHAH-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309594;MM309594;C#CC(C)(C#N)COCC;JXPYANWXIMYARC-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309595;MM309595;CC#CC(N)CC1OC1C;HWEXTYNHNIHBJZ-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309596;MM309596;C#CC(O)(C=O)COCC;AWNOPLHTAAZEPW-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309597;MM309597;CC#CC(F)CC1OC1C;QLUAQTUWGFCWTD-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309598;MM309598;C#CC(F)(C=O)COCC;GWBGSELXIQHDAR-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309599;MM309599;CC#CC(N)CC1CN1C;IGDYQVLFJQCURB-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309600;MM309600;C#CC(F)(C#N)COCC;FQRNMIDJPDTYIW-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309601;MM309601;CC#CC(F)CC1CN1C;GUGIKWNCQLKXFS-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309602;MM309602;C#CC(C)(C=C)NCCC;OXJXQGBRTXOANM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309603;MM309603;C=C(C#CC)CC1CC1C;HVLZOVFZUYFOAM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309604;MM309604;C#CC(C)(C#N)NCCC;OWICTAFRKLUVDZ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309605;MM309605;CC#CC(=O)CC1CC1C;RCPPVXVBJLJLEG-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309606;MM309606;C#CC(C)(C#N)NCCF;VBBSVUJUBYRJAZ-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309607;MM309607;C=C(C#CC)CC1CC1N;RUYJMUJVDSKPHU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309608;MM309608;C#CC(C)(C=C)OCCC;WYHHWWAKJCEWJX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309609;MM309609;C=C(CCC)CNC=O;SGAHZFRWBLDDLF-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309610;MM309610;C#CC(C)(C=C)OCCF;KRIICKKSYLRIKM-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309611;MM309611;CC#CC(=O)CC1CC1O;FARFOCMQLLHTAE-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309612;MM309612;C#CC(C)(C=O)OCCC;SYHFBXVOBBSUEB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309613;MM309613;C=C(C#CC)CC1CC1F;RGPFZWMIRMYBRM-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309614;MM309614;C#CC(C)(C#N)OCCC;VJACZHVZAJJKTF-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309615;MM309615;CC#CC(=N)NC1CC1C;HJRGIPOPEHFBCS-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309616;MM309616;C#CC(C)(C=O)OCCO;GMLDCDAWCXIBPD-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309617;MM309617;CC#CC(=O)NC1CC1C;CQYZUEQUEUAUJZ-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309618;MM309618;C#CC(C)(C=O)OCCF;ZKMKDDABRNYDNF-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309619;MM309619;CC#CC(=N)NC1CC1N;XYYPDGVQZKXGAA-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309620;MM309620;C#CC(C)(C#N)OCCF;JBVYCZPFMJTFME-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309621;MM309621;CC#CC(=O)OC1CC1C;ADRDEFROXYUWPX-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309622;MM309622;C#CC(C)(C=C)OCOC;PNNBBQHWQNGHOH-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309623;MM309623;C=C(C#CC)CC1OC1C;QRBWFHSKNJYCOF-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309624;MM309624;C#CC(C)(C=C)CCC=O;DHPBGHWNVHUHQM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309625;MM309625;CC#CC(=O)CC1OC1C;QPCPDHRITYIIEW-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309626;MM309626;C#CC(C)(C=C)CCC#N;HIWNBELZORVGBY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309627;MM309627;C=C(CNC=O)C(C)C;INQZUTDKQVRHNV-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309628;MM309628;C#CC(C)(C#N)CCC=C;VXFKLGYAHUORFB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309629;MM309629;C=C(C#CC)CN1CC1C;YVEFSBFPHSNLNQ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309630;MM309630;C#CC(C)(C=O)CCC=O;OZVFQSOVYOSTOQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309631;MM309631;CC#CC(=O)CN1CC1C;XIFQQJFAJVCIGR-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309632;MM309632;C#CC(C)(C=O)CCC#N;JHHQKVGCZFRWPB-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309633;MM309633;CC#CC(=N)NN1CC1C;URFUKZGTTWCQOX-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309634;MM309634;C#CC(C)(C#N)CCC=O;NFEQNFYZRATQIO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309635;MM309635;CCC=C(C)CC1CC1C;CEMRVXKEKHQQOY-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309636;MM309636;C#CC(C)(C#N)CCC#N;FENULUNLXLDWAA-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309637;MM309637;CC(=CCN)CC1CC1C;JXQTVJMPLDRLCE-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309638;MM309638;C#CC(N)(C=C)CCC=C;QYLIOZWFQRBYTI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309639;MM309639;CCC=C(C)CC1CC1N;UYOCYAABYHTNIJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309640;MM309640;C#CC(O)(C=C)CCC=C;DAEPWCQKWLENBQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309641;MM309641;CC(=CCN)CC1CC1N;VOGLBAYWNHEJSI-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309642;MM309642;C#CC(O)(C=O)CCC=O;SADSDFNXDPRVSC-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309643;MM309643;CC(=CCO)CC1CC1N;ARXLWLKDUYFKDH-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309644;MM309644;C#CC(F)(C=C)CCC=C;YCAJKMCYEHZSDG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309645;MM309645;CCC=C(F)CC1CC1N;GZJGKBMAXMLUQX-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309646;MM309646;CCC1(CC(N)=O)CC1;IIXDETSAPBCPLM-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309647;MM309647;CC(C)=C(C)CNC=O;MUBRSEFDSOZVOJ-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309648;MM309648;C#CC(O)(C=C)CNC=O;RBXZCZWUTHZBDP-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309649;MM309649;CC(=CCN)CC1CC1O;SLINUELIORJZBE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309650;MM309650;C#CC(O)(C=O)CN=CN;AVKCHERPOZLGCX-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309651;MM309651;CCC=C(F)CC1CC1O;WUJRWCSKULFLJI-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309652;MM309652;CCC=C(C)CC1CC1F;VXIONVMJBLOFLN-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309653;MM309653;C#CC(O)(C=O)CNC=O;QMJOEWCEXNYYQN-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309654;MM309654;CCN=C(C)NC1CC1O;QQHNLAILYZGIPG-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309655;MM309655;C#CC(F)(C=C)CNC=N;LKJOMOSONWGKLC-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309656;MM309656;CCC=C(C)CC1OC1C;KQSDVYMMGUOESF-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309657;MM309657;C#CC(C)(C=C)CNN=C;ZPRKABVMQVWCQJ-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309658;MM309658;CCC=C(F)CC1OC1C;TTWLUOSVXKAGNJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309659;MM309659;C#CC(C)(C=C)COC=C;QXHXPKRGZXTZAS-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309660;MM309660;CC(=CCN)CC1CN1C;KYNFIZPVSHPHPV-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309661;MM309661;C#CC(C)(C=C)COC=O;SLADOTNWQGRTRX-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309662;MM309662;CCC=C(F)CC1CN1C;IQNVIZGUPWKVBP-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309663;MM309663;C#CC(C)(C#N)COC=C;LSBXSCUPOBSFHG-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309664;MM309664;CC(=CCN)CN1CC1C;FSRICEMMRDFKFS-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309665;MM309665;C#CC(C)(C#N)COC=O;BSNKWGASZQKANY-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309666;MM309666;C=CC=C(C)CC1CC1C;CXWCQGATKUXENO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309667;MM309667;C#CC(O)(C=O)COC=O;QOHDOIBFRVCDLM-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309668;MM309668;CC(=CC=O)CC1CC1C;IDNJISZLXZSLHK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309669;MM309669;C#CC(F)(C=O)COC=C;LAFADCAUUVZFNF-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309670;MM309670;CC(=CC#N)CC1CC1C;XIWHFVBPKMYDRF-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309671;MM309671;C#CC(F)(C#N)COC=C;XJDFZAUYBZIPRM-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309672;MM309672;CC1CC1CC(N)=CC=O;HGUAJLHDHVVQGI-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309673;MM309673;C#CC(F)(C#N)COC=O;GMFQJOCUNHMNTN-UHFFFAOYSA-N;141.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309674;MM309674;CC1CC1CC(N)=CC#N;GSBFOXTYOBVOPY-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309675;MM309675;C#CC(C)(C=C)CON=C;FYCWGHSMRSAGSL-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309676;MM309676;CC1CC1CC(F)=CC=O;BBBMGSQHXINKJU-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309677;MM309677;C=CC=C(C)CC1CC1N;XZPGRWDCJCAFPS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309678;MM309678;C#CC(C)(C#N)CON=C;NNXQIEKCQTTZRY-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309679;MM309679;C=CC=C(F)CC1CC1N;WXJIRPYOHYZTEP-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309680;MM309680;C#CC(F)(C#N)CON=C;DGFOHVRJXZEIAY-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309681;MM309681;CCCC=CC(=O)NC;NWKOBYCRQRQNAL-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309682;MM309682;C#CC(C)(C=C)NCC#N;GEWXXVWJJYHHOU-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309683;MM309683;N=Nc1[nH]cc(F)c1N;ZCRFIGGIGVQVDT-UHFFFAOYSA-N;128.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309684;MM309684;C#CC(C)(C#N)NCC=C;DUEPENZAPWZMCB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309685;MM309685;NC(=CC=O)CC1CC1O;HPMDFQYALDHFRI-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309686;MM309686;C#CC(C)(C#N)NCC#N;ZXJHPJFXULFMHB-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309687;MM309687;CC=C(CC)CNC=O;MPFOHKARVAZHFS-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309688;MM309688;C#CC(C)(C#N)NNC=N;RLOHDVXZRHHROE-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309689;MM309689;C=CC=C(F)CC1CC1O;ARWINDJVIJOOAD-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309690;MM309690;C#CC(C)(C=O)NNC=O;BYKWJBUOHXJZMP-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309691;MM309691;CC(=CC#N)CC1CC1F;CXVPLJGGCPKPML-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309692;MM309692;C#CC(C)(C#N)NNC=O;RNPASPVEZXLXJH-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309693;MM309693;C=NN=C(C)CC1CC1C;YKKROYOQMVNEIW-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309694;MM309694;C#CC(C)(C=C)OCC=C;NQKANFPHAWAVSL-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309695;MM309695;C=NN=C(C)CC1CC1O;UMRZYOIFZHSUFQ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309696;MM309696;C#CC(C)(C=C)OCC=O;BWXWCAVCDHIZGO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309697;MM309697;CC(=CC=O)NC1CC1C;JGMWHFQEBYMGML-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309698;MM309698;C#CC(C)(C=C)OCC#N;WOCVRUHDRXIEEN-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309699;MM309699;CC(=CC#N)NC1CC1C;WDSRQSDZUUPXHC-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309700;MM309700;C#CC(C)(C=O)OCC=C;KWUGMUGIVRVEAD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309701;MM309701;CC1CC1NC(N)=CC#N;ZSXSIAQNNOLNHL-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309702;MM309702;CC(=CC=O)NC1CC1F;DSPWCGSPYHHOCV-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309703;MM309703;C#CC(C)(C#N)OCC=C;BBQKWBQZDSYBIE-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309704;MM309704;N#CC=C(N)NC1CC1F;QAGOSWDXXWBUSR-UHFFFAOYSA-N;141.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309705;MM309705;C#CC(C)(C=C)ONC=O;FOLJALRAZFLHCO-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309706;MM309706;CC(=NC1CC1C)NC=N;QUSWWQFRGOTYBB-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309707;MM309707;C#CC(C)(C#N)ONC=N;IVGURLIXBGEBDH-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309708;MM309708;CC(C)(O)C=CCC(N)=O;MQSYZGJHAFWPIS-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309709;MM309709;C#CCCC(C)(C#C)C=C;PUSDGSHKCASRTE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309710;MM309710;C=CC=C(C)OC1CC1C;SWRHQDFZZLDWOB-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309711;MM309711;C#CCCC(C)(C#C)C=O;KWZSNELUUZKQIA-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309712;MM309712;CC(=CC#N)OC1CC1C;LSGDNQQLKRKXLW-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309713;MM309713;C#CCCC(C)(C#C)C#N;BRXQCCUCBMWYRY-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309714;MM309714;CC1CC1OC(N)=CC=O;YSPADLVEJVHIID-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309715;MM309715;C#CCCC(N)(C#C)C=C;VCNOXJFSGDGCJB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309716;MM309716;CC1CC1OC(N)=CC#N;ZUQXGMHQDPOVRD-UHFFFAOYSA-N;138.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309717;MM309717;C#CCCC(O)(C#C)C=C;LOFGCHSMBJKFEM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309718;MM309718;C=CC=C(C)OC1CC1N;IEZLCZFLAPLTGV-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309719;MM309719;C#CCCC(O)(C#C)C#N;PPWKZTGAZLWDPT-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309720;MM309720;CC(=CC#N)OC1CC1F;YSORIBWPSNHUNT-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309721;MM309721;C#CCOC(C)(C#C)C=C;HDUCTPJMYDHINT-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309722;MM309722;N#CC=C(N)OC1CC1F;VUQQFMUBBZAKNX-UHFFFAOYSA-N;142.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309723;MM309723;C#CCOC(C)(C#C)C#N;YGBURGOSMCTEIZ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309724;MM309724;C=CC=C(C)CC1OC1C;VODBJQBXCGMAGF-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309725;MM309725;C#CC(C)(C#C)CCCC;UFKNVLPCOIQNDX-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309726;MM309726;CC(=CC#N)CC1OC1C;LDOKFLACPHJKDE-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309727;MM309727;C#CC(C)(C#C)CCCN;WKLIDXAJDLACLK-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309728;MM309728;C=CC=C(F)CC1OC1C;HZOXRQOFIDBRAV-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309729;MM309729;C#CC(C)(C#C)CCCO;PAXLEOSZGGOJTB-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309730;MM309730;C=NN=C(C)CC1OC1C;UEXNUNSENYNFBD-UHFFFAOYSA-N;140.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309731;MM309731;C#CC(C)(C#C)CCCF;OFOXLWVKHXMKEK-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309732;MM309732;CC(=CC#N)CC1CN1C;VIGPKTUPYMOZJP-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309733;MM309733;C#CC(O)(C#C)CCCN;MIWFPMJBTQXGSR-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309734;MM309734;CN1CC1CC(N)=CC#N;OLTIHPKJUHBGOY-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309735;MM309735;C#CC(F)(C#C)CCCC;NYGJMNCOZRUFAU-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309736;MM309736;C=CC=C(F)CC1CN1C;QNLQXCVOMCVBFM-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309737;MM309737;C#CC(C)(C#C)CCOC;OBWREVWOFCNNAW-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309738;MM309738;C=CC=C(F)CN1CC1C;MQKYHXQJYUWMEZ-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309739;MM309739;C#CC(F)(C#C)CCOC;HXXVKGNDCSHZFW-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309740;MM309740;CC(=NN1CC1C)NC=N;AAPQVMPTFBAEDQ-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309741;MM309741;C#CC(C)(C#C)CNCC;PAQXAHCBQVDQRP-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309742;MM309742;CC(=NN1CC1C)NC=O;YJBDWEPXPGHCDE-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309743;MM309743;C#CC(C)(C#C)COCC;FAJQQZAIOPICEE-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309744;MM309744;CC(=CC(C)O)CC(N)=O;LMVXRHYZJCLJHF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309745;MM309745;C#CC(O)(C#C)COCC;JRKQLRDTFSCXRF-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309746;MM309746;C#CC=C(C)CC1CC1C;ILOUNTZJPXKMIZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309747;MM309747;C#CC(F)(C#C)COCC;QZFHABVAIBXOHK-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309748;MM309748;C#CC=C(F)CC1CC1C;UCIOATRHFFNTML-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309749;MM309749;C#CC(C)(C#C)NCCN;BFMXERPYUPRGKB-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309750;MM309750;C#CC=C(C)CC1CC1N;RNXQDOLKLCBDAW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309751;MM309751;C#CC(C)(C#C)OCCC;OYJAPNVTKAMDSF-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309752;MM309752;C#CC=C(F)CC1CC1N;ZTFLGVBWNFQALJ-UHFFFAOYSA-N;139.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309753;MM309753;C#CC(C)(C#C)OCCF;HTQWDIXVOFCECN-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309754;MM309754;C#CC=C(F)CC1CC1O;UBPXBPJDCWPTTP-UHFFFAOYSA-N;140.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309755;MM309755;C#CC(C)(C#C)OCOC;OOYNXGNIYRMGAK-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309756;MM309756;C#CC=C(F)CC1CC1F;SNRNNEARDJKVQV-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309757;MM309757;C#CC(C)(C#C)CCC=C;SSYKMZIAYOKLQZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309758;MM309758;C#CC=C(C)OC1CC1C;FUQGJSNMQXMYSW-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309759;MM309759;C#CC(C)(C#C)CCC=O;SWWBDJZAYKYMDC-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309760;MM309760;C#CC=C(C)OC1CC1O;IKLQYUROYKFDOW-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309761;MM309761;C#CC(C)(C#C)CCC#N;CSEFIPMUDBTWQQ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309762;MM309762;C#CC=C(C)CC1OC1C;NHZKLUXICZVSRC-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309763;MM309763;C#CC(F)(C#C)CCC=O;DJNLHUMOACOMKI-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309764;MM309764;C#CC=C(F)CC1OC1C;UBZLTBDBSLSGDB-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309765;MM309765;C#CC(F)(C#C)CCC#N;VAGJGNRRBCAYPP-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309766;MM309766;C#CC=C(F)CC1CN1C;ZKHJQDSKVVQPCL-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309767;MM309767;C#CC(N)(C#C)CNC=N;ZDXDEKVHFBTATL-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309768;MM309768;C#CC=C(C)CN1CC1C;ODHJAGFTHNLUFI-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309769;MM309769;C#CC(O)(C#C)CNC=N;DUMLIWZUULTZCY-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309770;MM309770;CCCC(C)=CC1CC1C;PZAMWVZDNZOGSI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309771;MM309771;C#CC(O)(C#C)CNC=O;UTVOXCNLNXPBRO-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309772;MM309772;CC(=CC1CC1C)CCN;CPLVLKXNZUGWOV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309773;MM309773;C#CC(C)(C#C)CNN=C;SEVGCQTUHIBNDV-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309774;MM309774;CCCC(F)=CC1CC1N;FYZJFFOFPKOJNC-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309775;MM309775;CC1C(C)C1CC(N)=O;MEAKBGDBYNSSRP-UHFFFAOYSA-N;127.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309776;MM309776;CC(=CC1CC1F)CCN;JXSSHOIDBCTBQK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309777;MM309777;C#CC(F)(C#C)CNN=C;SVOIHGQOOUPDRM-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309778;MM309778;CCOC(C)=CC1CC1C;RIJMFWXZTIBIPC-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309779;MM309779;C#CC(C)(C#C)COC=C;NQMMLMJJNLSVRA-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309780;MM309780;CCOC(C)=CC1CC1N;JTSHSKRCFOSEFS-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309781;MM309781;C#CC(C)(C#C)COC=O;QWTAGMHCWZYBBY-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309782;MM309782;CCOC(C)=CC1CC1O;SIAGMBYKZPWCLS-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309783;MM309783;C#CC(O)(C#C)COC=C;RFMLRAJZOMRRFL-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309784;MM309784;CCCC(C)=CC1OC1C;GYBWDGLHCRXVGI-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309785;MM309785;CNCC(C)=CC1OC1C;BUSQHLJXKXVHSI-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309786;MM309786;C#CC(F)(C#C)COC=C;NAOAPYYWXYWABE-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309787;MM309787;CCOC(C)=CC1OC1C;KLNTVSVNTGGNJX-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309788;MM309788;C#CC(F)(C#C)COC=O;PMZVEDHVOUDJNC-UHFFFAOYSA-N;140.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309789;MM309789;CCCC(F)=CC1CN1C;UUVXXPYMMVOIMU-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309790;MM309790;C#CC(C)(C#C)CON=C;OARIFJSKTPRCPL-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309791;MM309791;CCOC(C)=CC1CN1C;DFRNBWAYVYDLDK-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309792;MM309792;C#CC(F)(C#C)CON=C;FDVPQRHVBQADBE-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309793;MM309793;CCCC(C)=NN1CC1C;ZQZJKSSXSLBOCS-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309794;MM309794;C#CC(C)(C#C)NNC=O;LANVMYKVZVOTHI-UHFFFAOYSA-N;136.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309795;MM309795;CC(CCN)=NN1CC1C;RFDVOBAQSQULGD-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309796;MM309796;C#CC(C)(C#C)OCC=C;MBRWCVMGEUEBBL-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309797;MM309797;CC1CC1C=C(F)CC#N;XSKNNTBSPAZBCG-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309798;MM309798;C#CC(C)(C#C)OCC=O;UUKSZLMHSALJAA-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309799;MM309799;C=CCC(C)=CC1CC1N;VHZFQBLIACONPN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309800;MM309800;C#CC(C)(C#C)ONC=N;ZUVXKWDYPAZJKF-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309801;MM309801;C=CCC(F)=CC1CC1N;GROIHJMQOOHFGJ-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309802;MM309802;C#CCCC(C)(C#C)C#C;FKYAAWSLMCQSJK-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309803;MM309803;N#CCC(F)=CC1CC1F;GCFHINIJMMQZHO-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309804;MM309804;C#CCCC(O)(C#C)C#C;SMOODVVAQJZLJM-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309805;MM309805;CC(=CC1CC1C)NC=N;HKVVNQAGGIVHNF-UHFFFAOYSA-N;138.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309806;MM309806;C#CCCC(F)(C#C)C#C;NNJCZSOTBZVKMV-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309807;MM309807;C=COC(C)=CC1CC1C;XNUIQJRNYBSWIL-UHFFFAOYSA-N;138.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309808;MM309808;C#CCOC(C)(C#C)C#C;HJVQZVPEQJBCFK-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309809;MM309809;C=CNC(C)=NC1CC1C;VIWDUJAZHMVTKV-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309810;MM309810;CC=CCC(C)(CC)CC;HXNFEGKWUKKIRM-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309811;MM309811;CC(=CC1NC1C)NC=N;MVAYOFFEUABAES-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309812;MM309812;CCC(C)(CC)CC=CF;RQCOWAHMYRJFLG-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309813;MM309813;C=CCC(C)=CC1OC1C;OIFDFVDUXMEDPK-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309814;MM309814;CC=CCC(C)(CC)CN;FHNPVNGXAZQUAY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309815;MM309815;CC(=CC1OC1C)CC=O;SOKJRQIILDMQGB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309816;MM309816;CN1CC(=N)N(N)C1=O;UJEUIYMXANRIER-UHFFFAOYSA-N;128.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309817;MM309817;CC(=CC1OC1C)CC#N;GLLOODUDCOWZBS-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309818;MM309818;CC1OC1C=C(F)CC#N;VDQGLSBQPBQMPF-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309819;MM309819;CCC(C)(CF)CC=CF;QPGCYXROWBJXAA-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309820;MM309820;CC(=CC1OC1C)NC=N;XTDZUIHBAVEJBU-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309821;MM309821;CC=CCC(C)(CN)CN;JKDRPPDIBYODMY-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309822;MM309822;C=CCC(F)=CC1CN1C;CKDQYNUXZFIPND-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309823;MM309823;CC(CN)(CF)CC=CF;SSUIPQBEHOLKNY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309824;MM309824;C=CCC(C)=NN1CC1C;UXQPLJRHGSDMBN-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309825;MM309825;CC(CF)(CF)CC=CF;PYTWVEOHIJGOEJ-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309826;MM309826;CC(O)CC=CCC(N)=O;GUOMWCRWRQALDN-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309827;MM309827;CC=CCC(N)(CC)CC;QFBZCNXQNQOEJQ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309828;MM309828;C=C(CCCO)CC(N)=O;OQLWTWKBKLHDPR-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309829;MM309829;CCC(N)(CC)CC=CF;PYHBXPZSOOJIBS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309830;MM309830;C=CNC(C)=NN1CC1C;GFVWFEWBDXOTQO-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309831;MM309831;CC=CCC(N)(CC)CN;JTLCMIIOAYQFNR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309832;MM309832;C=COC(C)=NN1CC1C;NHTJXVPERQEAKB-UHFFFAOYSA-N;140.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309833;MM309833;NCC(N)(CF)CC=CF;GPYIIBISQCTQRD-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309834;MM309834;C#CCC(C)=CC1CC1C;HKKCLDRXHQNINZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309835;MM309835;N#CC1=NC(=N)C(=N)N1;SUYMTRZSHDNOSB-UHFFFAOYSA-N;121.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309836;MM309836;C#CCC(C)=CC1CC1N;BJCRQCGPTBRGLJ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309837;MM309837;NCC(O)(CF)CC=CF;QPJOSJLNIGFDFG-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309838;MM309838;CC(CC(C)C(N)=O)=NN;GPSRUFWHXKFSRW-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309839;MM309839;C#CCC(F)=CC1CC1F;WMCFAUGMLPRAQS-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309840;MM309840;OCC(O)(CF)CC=CF;OXHKYSJTSXPUBS-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309841;MM309841;C#CCC(F)=CC1OC1C;IUPHSWZBGDAEBP-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309842;MM309842;CC=CCC(F)(CC)CN;LCWWJRFUADXHCW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309843;MM309843;C#CCC(C)=CC1CN1C;DKBJPIVOEUHUOC-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309844;MM309844;CCC(F)(CN)CC=CF;CPCXUVHNQKRQHP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309845;MM309845;C#CCC(C)=NN1CC1C;LDDBGJZZKCNGGI-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309846;MM309846;CCC(F)(CO)CC=CF;LQWNCAZRPWQLIQ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309847;MM309847;CC=CC(C)=CC1CC1C;WKCLDTQYXPSYKO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309848;MM309848;CCC(F)(CF)CC=CF;RPEWMIXPPYFLCR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309849;MM309849;CC=CC(C)=CC1CC1N;XQJSODLNAFRTBF-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309850;MM309850;NCC(F)(CN)CC=CF;VHBAAUYANAKRIJ-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309851;MM309851;C=CC(O)CC=CC(N)=O;JRSQTXGPBPKSRQ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309852;MM309852;NCC(F)(CO)CC=CF;QCVMABOBAJDEHK-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309853;MM309853;CC=CC(C)=CC1CC1F;HNKYOOHCJJXFNL-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309854;MM309854;CCC(C)(CC)CC=NN;YSAAHVFBVUGWAI-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309855;MM309855;CC(C=NN)=CC1CC1C;ZAJBASQIRCYRDG-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309856;MM309856;CN=C1N=CN(C)C1C;LKKZUXUHYXCUDW-UHFFFAOYSA-N;125.18;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309857;MM309857;CC=CC(C)=CC1OC1C;ZCJLKGLGXHZMKA-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309858;MM309858;CCC(C)(CN)CC=NO;DTLTZMXEYFMZRG-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309859;MM309859;CC(C=NN)=CC1OC1C;MPITZHKPDAQPJK-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309860;MM309860;Nc1[nH]nc(CF)c1N;NLGJAUIALKKSGZ-UHFFFAOYSA-N;130.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309861;MM309861;CC=CC(C)=CC1CN1C;ZXCOKYAQMLNPQH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309862;MM309862;CCC(C)(CF)CC=NN;KKMHGRWLWWDHKU-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309863;MM309863;CC=CC(C)=NN1CC1C;FCCLVDBJNCJWRR-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309864;MM309864;CC(CN)(CN)CC=NO;PXAWEVKQSOGAIJ-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309865;MM309865;CC#CC(C)=CC1CC1C;IRGUQYHNFBPTMT-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309866;MM309866;C=Cc1[nH]nc(N)c1C;ZJUNNYYOCQSFBU-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309867;MM309867;CC#CC(C)=CC1CC1N;UZMJNQCVXNZETK-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309868;MM309868;CC(CO)(CO)CC=NO;ATWDZVALHIRBJT-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309869;MM309869;CC(C=CCC(N)=O)CO;CJUSKFIIGJTCMC-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309870;MM309870;CC(CF)(CF)CC=NO;LYQABKXDSHROOS-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309871;MM309871;CC#CC(C)=CC1CC1F;FRTIDVBDTDJKGO-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309872;MM309872;CCC(N)(CC)CC=NO;YTHYRMKFATYKAS-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309873;MM309873;CC#CC(C)=CC1CN1C;OUCZDXKTQLNKEF-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309874;MM309874;CCC(N)(CN)CC=NO;KOJLFYKWOYYSMN-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309875;MM309875;N=c1nc(N)cc[nH]c1=O;JDHBZXYSBIBMQQ-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309876;MM309876;Nc1nc(=O)cc[nH]c1=O;ZHHARSQLHKPRKQ-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309877;MM309877;NCC(N)(CO)CC=NO;GYPSDSURFUSLKX-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309878;MM309878;Nc1nccc(=O)[nH]c1=O;LKKKBFFJELNLQU-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309879;MM309879;NC(CO)(CO)CC=NO;FYVLVLWLNXZROQ-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309880;MM309880;Nc1cc[nH]c(=O)c(=O)n1;LIWVPEOGZQFWAO-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309881;MM309881;C=CCN1CC1CC=O;SSENNHWRUYBDIS-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309882;MM309882;C=CC(NC(C)=O)C(=O)O;NNVCNLNYKRVMQL-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309883;MM309883;CCC(O)(CC)CC=NO;ZKWVDKCBZZQVSR-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309884;MM309884;CCC(O)C=CCC(N)=O;QLGROIJXWWONGK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309885;MM309885;CCC(O)(CN)CC=NO;XJKIKFHWYVSDRI-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309886;MM309886;Nc1nc(=O)cn[nH]c1=O;BGVMXJAUMJCKPX-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309887;MM309887;NCC(O)(CO)CC=NO;LHFMTYCAEYWNHG-UHFFFAOYSA-N;148.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309888;MM309888;O=CNN=CCC(=O)O;NVENUXHBYAXMQC-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309889;MM309889;N#CCN1CC1CC=O;OKLLGVACJIABEX-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309890;MM309890;OCC(O)(CO)CC=NO;FOXYYTAEBYFMOG-UHFFFAOYSA-N;149.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309891;MM309891;CC1=C(F)N=CC1=CO;QLJSFKDYDDVNPS-UHFFFAOYSA-N;127.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309892;MM309892;CCC(F)(CC)CC=NN;DVJZUVLNAOJACL-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309893;MM309893;CC(C)C1=NC(=CO)C=N1;GKPVIIMIRBVLOC-UHFFFAOYSA-N;138.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309894;MM309894;CCC(F)(CF)CC=NO;CZIRERZPTWFHCQ-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309895;MM309895;C#CCON=CCC(=O)O;DMFMXJXGJGULSF-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309896;MM309896;CC(C)N1CC1CC=O;GFOOEGVVTCZMFY-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309897;MM309897;N=CN(N)C(=O)CC(=O)O;IDOCTYIZQXHKFW-UHFFFAOYSA-N;145.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309898;MM309898;OCC(F)(CO)CC=NO;PYAWWDZNTAGVRI-UHFFFAOYSA-N;151.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309899;MM309899;CC(=NO)N(N)CC(=O)O;OZGYCCYNZGJDFL-UHFFFAOYSA-N;147.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309900;MM309900;CC=CCC(C)(CC)NC;PJCIEXYCMWXABH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309901;MM309901;C=CC=C(NC=O)C(=O)O;DITPZGIMRWHEAF-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309902;MM309902;CCC(C)(CC=CF)NC;CRDSCBSJKGRNIY-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309903;MM309903;Nc1nc(=O)nn[nH]c1=O;KPABCZLDDYKLJX-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309904;MM309904;CC=CCC(C)(CN)NC;UHCAGNDPJKZANW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309905;MM309905;C=Cn1[nH]c(=O)ncc1=O;JJFMGNFYCGDKSS-UHFFFAOYSA-N;139.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309906;MM309906;CC=CCC(C)(CF)NC;VMUGXSVSOBBBKH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309907;MM309907;C#CC=C(C=O)CC(=O)O;GHKMNARGOVOZBX-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309908;MM309908;CNC(C)(CF)CC=CF;BSNXGDKNWFBCMR-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309909;MM309909;O=C(O)C=CC(O)C(F)F;BZLBRZRTLKSKPA-UHFFFAOYSA-N;152.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309910;MM309910;CCC(C)(CC=NN)NC;OIYYBBWJOXMMIU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309911;MM309911;NN=c1nnc(O)c(F)o1;CJQAJLVCQASCFQ-UHFFFAOYSA-N;146.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309912;MM309912;CCC(C)(CC=NO)NC;GRXKUQGOHSOSFH-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309913;MM309913;O=c1nn[nH]c(=O)c(O)n1;NTZXONMHZTWJCJ-UHFFFAOYSA-N;142.07;-2.37;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309914;MM309914;CNC(C)(CF)CC=NO;GWNYCCNTOVSOKL-UHFFFAOYSA-N;148.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309915;MM309915;Nc1nc(=O)ccoc1=O;JQMFYEMOZYBWMX-UHFFFAOYSA-N;140.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309916;MM309916;CC=CCC(C)(CN)OC;HQYIEWLKXZAXIB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309917;MM309917;Nc1nc(=O)[nH]ccc1=O;QUQLQCQVCXQYRI-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309918;MM309918;CCC(C)(CC=NN)OC;JLTYNQSXVYMRQD-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309919;MM309919;C=CC(=C)CC(C)NC=O;IVOKLDNITWJMDG-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309920;MM309920;COC(C)(CN)CC=NO;NUMGVTDNWFXYTM-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309921;MM309921;Nc1nc(=O)occc1=O;JGBKHDNFMHTTOO-UHFFFAOYSA-N;140.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309922;MM309922;COC(C)(CC=CF)OC;IGFBBBHJHZCANH-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309923;MM309923;C#CC(O)(CO)CC(=O)O;OQSWGBLDWIVXQG-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309924;MM309924;CCC(C)(CO)N=CNC;KTCNBPLPIXPNAO-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309925;MM309925;N=c1c(F)c[nH]n1C=O;TWVWAALCFXUUBX-UHFFFAOYSA-N;129.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309926;MM309926;CN=CNC(C)(CO)CO;QJTMHMLBGDRSEM-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309927;MM309927;C#CC#Cc1noc(O)n1;YQQINUNSFTVURY-UHFFFAOYSA-N;134.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309928;MM309928;CN=CNC(C)(CO)CF;TTWWIZIZFBZQEU-UHFFFAOYSA-N;148.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309929;MM309929;Oc1nn(O)c(O)c1O;CIRSVBYJTKZTAO-UHFFFAOYSA-N;132.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309930;MM309930;C=NN1CC1C(=O)C#N;JCBBRTWEEZITHE-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309931;MM309931;Nc1cccc(=O)c(=O)[nH]1;GBYBEXRYKKSYEJ-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309932;MM309932;CCC(C)(CC)OC=CF;YKUSKFYAVWVDOO-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309933;MM309933;Nc1cncc(=O)c(=O)[nH]1;XQWLIOFXLXRYDR-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309934;MM309934;CCC(C)(CN)OC=CF;DRPLUUPONONAKC-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309935;MM309935;NN=c1nc(O)nnn1O;PAKPNBJWTABARN-UHFFFAOYSA-N;144.09;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309936;MM309936;CC=COC(C)(CN)CN;VRWVLKBHXBUWSA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309937;MM309937;N=c1nncc(N)[nH]c1=O;YKDFPHPEQGMCHR-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309938;MM309938;CC(CN)(CF)OC=CF;OOIPZGHSDAVLDI-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309939;MM309939;Nc1cnnc(=O)c(=O)[nH]1;QQBMRZKVLQPTKL-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309940;MM309940;C=C(C)CNC=CC(N)=O;CIYNXABDNOWBDG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309941;MM309941;CN(O)C(CC(=O)O)=NO;HFHUUIWKAGPECC-UHFFFAOYSA-N;148.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309942;MM309942;CCC(C)(CO)OC=NO;WOZJTAQNMZQPCJ-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309943;MM309943;N=c1c(O)noc(=O)n1N;ZCHKYWKNCSJQIS-UHFFFAOYSA-N;144.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309944;MM309944;CC(CN)(CO)OC=NO;HCASSOCJUVZYOK-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309945;MM309945;O=CON=CCCC(=O)O;KVLGZKGSEIDYKA-UHFFFAOYSA-N;145.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309946;MM309946;C=CCN(C)C=CC(N)=O;HYUWJCWOGOUPJW-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309947;MM309947;CC(CO)(CF)OC=NO;ZJIVWVFRYRCZCA-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309948;MM309948;Nc1cc(=O)n(N)c(O)n1;YHKMVJVKGCOSST-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309949;MM309949;CC=COC(C)(CC)OC;HYNIKFHDQYPIFP-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309950;MM309950;Nc1nc(=O)c(=O)nc[nH]1;QHDBWPZMVYGBJI-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309951;MM309951;CCC(C)(OC)OC=CF;ZTRUERKSFDXABI-UHFFFAOYSA-N;148.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309952;MM309952;C=NOC(CC(=O)O)=NN;CZXZATIGZOCKGY-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309953;MM309953;CC=COC(C)(CO)OC;RSKWVHJORVBVSP-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309954;MM309954;NC(=NC=CCO)C(=O)O;YTVGASOZRQIAHS-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309955;MM309955;COC(C)(CO)OC=CF;HBKROIKFKYHBFM-UHFFFAOYSA-N;150.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309956;MM309956;Nc1cc(=O)c(=O)cc[nH]1;ZPVGDSMIWGTVCZ-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309957;MM309957;CC(C(N)=O)=C(N)C(C)C;FDDQXMSTMCAWOB-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309958;MM309958;C=NOC(C(=O)O)C(C)F;IMIDKFCTQCQIOL-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309959;MM309959;CC(C)C1(C)CC1C(N)=O;UTQFCVPILHVRLL-UHFFFAOYSA-N;141.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309960;MM309960;NN(CC(=O)O)C(=O)CO;FMYGOUSHDXGKCK-UHFFFAOYSA-N;148.12;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309961;MM309961;CC=NOC(C)(CC)CN;VELMBXJBCUXTEX-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309962;MM309962;N=c1nc(N)[nH]ccc1=O;IIVSGSUWRARCQQ-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309963;MM309963;CC=NOC(C)(CN)CO;JFPWRVMWAMNFFC-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309964;MM309964;C=C(CC(N)=O)C(C)CO;ULMFIKGQAJTLIL-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309965;MM309965;CC=NOC(C)(CC)OC;LRHLKVGFOYDJFV-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309966;MM309966;CC#CC(=O)CC(=O)C#N;APAQAYCZHIBVFJ-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309967;MM309967;C=CC(C)(CC)CC=CC;GVBSZJYVNLTRQQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309968;MM309968;CCC#CCOCC(=O)O;IIGHFAVLWYGLDE-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309969;MM309969;C=CC(C)(CC)CC=CF;AKURLDYYRCQAAT-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309970;MM309970;O=C(O)COC1(CF)CC1;GVRDBUJFOCLTTE-UHFFFAOYSA-N;148.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309971;MM309971;CC=CCC(C)(C=O)CC;SYTBYFGELUQURQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309972;MM309972;C=COC(C)C(O)C(=O)O;NYFTYFSARGDREC-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309973;MM309973;C=CC(C)(CN)CC=CC;OIJPHEPXDJXLFL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309974;MM309974;C=CCOCC(O)C(=O)O;PQXHYDQDOHANRM-UHFFFAOYSA-N;146.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309975;MM309975;C=CC(C)(CN)CC=CF;FZTWBJIGSBMCIF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309976;MM309976;O=c1on(O)c(O)c1F;BWPDKNRHAKHANP-UHFFFAOYSA-N;135.05;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309977;MM309977;C=CC(C)NC=CC(N)=O;DMIFGZBCCJDRGE-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309978;MM309978;CC=CC(O)C(O)C(=O)O;AVEGWPDBPGRVRZ-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309979;MM309979;CC=CCC(C)(C#N)CO;PMTKLNXXYVHKII-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309980;MM309980;N=c1cc[nH]c(N)cc1=O;IZQJUGUYWFPWJG-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309981;MM309981;CC(C#N)(CO)CC=CF;LKNVSSNLRSMLMO-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309982;MM309982;N=c1cc[nH]c(N)nc1=N;BZPGFQYNMAIUNL-UHFFFAOYSA-N;137.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309983;MM309983;C=CC(C)(CF)CC=CC;RVIFMNZKOCTPAD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309984;MM309984;C=CC=CCC(C)NC=O;LWJGSGQZDSSVNQ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309985;MM309985;CC=CCC(C)(C=O)CF;FRLXGGLYANCUPL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309986;MM309986;CC(O)C(C(=O)O)C(F)F;SXJWOFUKJZMQBQ-UHFFFAOYSA-N;154.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309987;MM309987;CC(C=O)(CF)CC=CF;ULKJMCBMGAYZJC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309988;MM309988;Cc1nc(=N)ccoc1=O;KADPIOGFBBMITE-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309989;MM309989;C=CC(N)(CC)CC=CC;OMAJWGKTPUSTNR-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309990;MM309990;Cc1nc(=O)ccoc1=O;UKIWDOASIFENOR-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309991;MM309991;C=CC(N)(CC)CC=CF;FGXYLEOVRULIBQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309992;MM309992;C=CC(N)(CN)CC=CC;NQAOSFRAFRGOOT-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309993;MM309993;N=c1ccoc(=O)c(F)n1;KTBMZOQDFSEDCT-UHFFFAOYSA-N;142.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309994;MM309994;C=CC(N)(CO)CC=CC;WGMOJAHEGFIUAO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309995;MM309995;O=c1ccoc(=O)c(F)n1;CHUXFYMCMBMYNA-UHFFFAOYSA-N;143.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309996;MM309996;C=CC(N)(CF)CC=CC;JAFWQVIMFIXQGK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309997;MM309997;N=c1ncoc(=O)c(F)n1;MJEHPXLWTWPNPM-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309998;MM309998;C=CC(N)(CF)CC=CF;SLGQLVWDUTZYMQ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM309999;MM309999;Cc1nc(=N)occc1=O;XQCKGYBBOHFMPC-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310000;MM310000;C=C(CO)C(=C)CC(C)O;HQEHUEHAXPBPSS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310001;MM310001;Cc1nc(=O)occc1=O;FZXWHSUGJJFPQG-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310002;MM310002;C=CC(O)(CC)CC=CF;BMPREUOAOIGMNZ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310003;MM310003;C=CCc1noc(O)n1;CNCUOCBYQBFVGT-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310004;MM310004;CC=CCC(O)(C=O)CC;JAUZDPYGJBWHRR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310005;MM310005;C=C(C(=O)O)C(=O)NC;ATDMPYJRMZMPCN-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310006;MM310006;C=CC(O)(CN)CC=CC;AZUYHRLDCMXGPO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310007;MM310007;OCc1nnn[nH]1;CHMNRJCRDOWYLX-UHFFFAOYSA-N;100.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310008;MM310008;C=CC(F)(CC)CC=CF;HRUNTKQICDAMBD-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310009;MM310009;O=CC(CCC(=O)O)=NO;KBWJVBPLISPBDR-UHFFFAOYSA-N;145.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310010;MM310010;CC=CCC(F)(C#N)CC;PFNRCJBQZDSUTQ-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310011;MM310011;O=C(O)CCC(=O)C=NO;OQISTMZKDBCVHR-UHFFFAOYSA-N;145.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310012;MM310012;CCC(F)(C#N)CC=CF;DDSKNAYWLBWJRQ-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310013;MM310013;C#Cc1nnn(C=C)c1O;UDVFLEDDRAGMDK-UHFFFAOYSA-N;135.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310014;MM310014;C=CC(C)(CC)CC=NN;MNMJASILRQROHY-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310015;MM310015;COn1[nH]c(=N)n(O)c1=O;PNQASMIUVUKEQA-UHFFFAOYSA-N;146.11;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310016;MM310016;C=CC(C)(CC)CC=NO;UJFUOEXEYOPRDY-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310017;MM310017;N=c1cc[nH]c(=O)nc1F;IVQHXQAMJUVOPY-UHFFFAOYSA-N;141.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310018;MM310018;CCC(C)(C=O)CC=NO;VJPNUMLBNNBQAI-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310019;MM310019;CCNC1CC(N)C(N)C1;OERUTNDCLPNDPN-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310020;MM310020;CCC(C)(C#N)CC=NO;VXUWGCLWBGLYFW-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310021;MM310021;CCCN1CC(C)C(N)C1;ZOTCWEZIVWSZKT-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310022;MM310022;C=C(CO)C(C)=CC(C)O;RDMSVMCVNHHZLS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310023;MM310023;C=CCC1CC(C)C(N)C1;COXOWTVJIYXAGN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310024;MM310024;CC(C#N)(CO)CC=NO;HNSHZOAIGPZXOD-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310025;MM310025;CC(C=NN)C(C)C(N)=O;RRGQKQAUEPZRDY-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310026;MM310026;C=CC(N)(CO)CC=NO;SNOZMJNQFAVKFO-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310027;MM310027;C=CCC1CC(C)C(F)C1;OLKJTBUAMXUVFZ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310028;MM310028;CC=CCNC=CC(N)=O;YATGYIXSHYPJNG-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310029;MM310029;C=CCC1CC(O)C(O)C1;FZMREOBCMHKSNN-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310030;MM310030;C=CC(O)(CC)CC=NO;PQOXQSSEWKYKTB-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310031;MM310031;CC1CC(NC=N)CC1O;JLIOYTAQDJHDRL-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310032;MM310032;C=CC(O)(CO)CC=NO;GFSAMSSSGUMEMB-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310033;MM310033;C=NN=C(CC=O)NN=C;FPZQROQRMWYIEH-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310034;MM310034;O=CC(O)(CO)CC=NO;JVRKBYPVTYYLEJ-UHFFFAOYSA-N;147.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310035;MM310035;C=COC1CC(C)C(O)C1;OSRGJHHWOLAVMG-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310036;MM310036;N#CC(O)(CO)CC=NO;ZAJYDDRYICUIRW-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310037;MM310037;CC1CN(CC#N)CC1F;DMRAZPMIKMXUMZ-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310038;MM310038;C=CC(F)(CC)CC=NN;PWOOBTULENNAFX-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310039;MM310039;C#CCC1CC(C)C(C)C1;XRPRBZHTNWFOIY-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310040;MM310040;O=CC(F)(CO)CC=NO;LNIVCLMHDIQHJA-UHFFFAOYSA-N;149.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310041;MM310041;C#CCC1CC(C)C(N)C1;RDGLFVXCQCRJRW-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310042;MM310042;C=CC(C)(CC=CC)NC;KOSZFVGZDLTCBE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310043;MM310043;C#CCC1CC(N)C(N)C1;MQSMZYIRMVUQHB-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310044;MM310044;C=CC(C)(CC=CF)NC;XTDAZCGLHDAHSJ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310045;MM310045;C#CCC1CC(C)N(C)C1;TUYIXZMWZJHAHG-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310046;MM310046;CC=CCC(C)(C#N)NC;RAKCVXLNOMLGSC-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310047;MM310047;C#CCN1CC(C)C(N)C1;ATRUBUWKBGAKPE-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310048;MM310048;C=CC(C)(CC=CF)OC;JDXMIJXULHIXQW-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310049;MM310049;C=C1CC(NCC)CC1N;CUJLJHLUKOQBJD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310050;MM310050;C=CC(C)(CC=NO)OC;CELLYKUOESMEGF-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310051;MM310051;CCCC1CC(=N)N(C)C1;TZRAZIRKAKZWMA-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310052;MM310052;C=CC(C)(CC)N=CNN;OGVWJEXIBUFUMU-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310053;MM310053;CN1CC(CCN)CC1=N;QBKFHPGMPHFJAB-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310054;MM310054;CCC(C)(C=O)N=CNC;MBATXBFSFKZUSS-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310055;MM310055;CCCC1CC(=O)N(C)C1;BZAVWSDRYHOHAT-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310056;MM310056;C=CC(C)(CF)NC=NC;JLOBJPLLTWYTIF-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310057;MM310057;N=C1CC(CCN)CN1O;QDHHDHBXOLPQQB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310058;MM310058;CC=NNCC(F)C(C)=O;RUYBEVMWWXCWKA-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310059;MM310059;CCNC1CC(=N)N(C)C1;XPHGFDCHOYGAMV-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310060;MM310060;CCNC1CC(=O)N(N)C1;JYFFTOQYPMPTAF-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310061;MM310061;CC=NNC(C)(C=O)CC;KMDGJSJRKCTWAF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310062;MM310062;C=C1CC(CC=O)CC1C;DKZACQWOLYHCLT-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310063;MM310063;C=CC=CC=C(C)C(N)=O;NZAVGBJBXJIEMG-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310064;MM310064;CC1CC(CC#N)CC1=O;NVXBHENELDSXPY-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310065;MM310065;CCCC(N)=C(C)C(N)=O;RJKCSRVDSNZYKY-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310066;MM310066;C=CCC1CC(=O)C(O)C1;CQSMZUJTEIOMIJ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310067;MM310067;CC=C(C=CC(C)O)CO;ZYGPCVDGIYTRQM-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310068;MM310068;N#CCC1CC(=O)C(O)C1;VKGMDFSBYYBLBW-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310069;MM310069;C=CC(C)(CC)OC=CC;SNDNNSHEMQZRHZ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310070;MM310070;C=CCC1CC(=C)C(F)C1;BXIZRFDYRHDDHT-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310071;MM310071;C=CC(C)(CC)OC=CF;APLICGCYWDGWBC-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310072;MM310072;C=C1CC(NC=N)CC1C;GXQUILXSLJLDSY-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310073;MM310073;CC=COC(C)(C#N)CC;LYTNYFPOSGEXLQ-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310074;MM310074;C=C1CC(NC=N)CC1N;OSUBMQMPOQZFSN-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310075;MM310075;CCC(C)(C#N)OC=CF;LTSXZKJYAYSFPR-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310076;MM310076;C=NNC1CC(=C)C(C)C1;FVJSVAYHMRJHHA-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310077;MM310077;C=CC(C)(CN)OC=CC;OXIBTWHVOSDBBG-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310078;MM310078;C=C1OC(CC#N)CC1C;OPMBFFPLGSNJMD-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310079;MM310079;CC=COC(C)(C=O)CO;WCRRUCQQLNNUMJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310080;MM310080;C=CCC1CC(=O)N(C)C1;SSTFDKCPZPGXIX-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310081;MM310081;CC(C#N)(CF)OC=CF;CAHXOKONVVFOGH-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310082;MM310082;C=CCC1CC(=N)N(N)C1;IRJFZEQHESTNNB-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310083;MM310083;CCC(C)(C#N)OC=NO;GUHNUCNDUVEEIV-UHFFFAOYSA-N;142.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310084;MM310084;C=CCC1CC(=O)N(N)C1;GFMCOCVMNQNSEU-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310085;MM310085;CC(C=O)(CO)OC=NO;RSTVMIBCMMLYAI-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310086;MM310086;C=CCC1CC(=N)N(O)C1;KZSIKVNAPRYKME-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310087;MM310087;CC(C=O)(CF)OC=NO;WQECJEKSTXVJBZ-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310088;MM310088;N#CCC1CC(=N)N(O)C1;UOSUGSJJQKKEEA-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310089;MM310089;C=CC(C)(OC)OC=CF;JNDPORZHMDQTKI-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310090;MM310090;CN1CC(NC=N)CC1=N;IVNWMZQXXQJQJJ-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310091;MM310091;N=CNC1CC(=N)N(O)C1;LAMHFDYMXYJCAY-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310092;MM310092;CC=COC(C)(C=O)OC;AGTJEDXQVGRBKS-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310093;MM310093;N=C1CC(NC=O)CN1O;MDNLVZNNELCXBO-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310094;MM310094;CC=COC(C)(C#N)OC;IJIZLEIEOHHFRT-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310095;MM310095;C=NNC1CC(=N)N(C)C1;SEIDIADUIOOFPJ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310096;MM310096;COC(C)(C=O)OC=CF;WEIJBSVUHCLYBU-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310097;MM310097;C=NNC1CC(=N)N(O)C1;HZUBRVDRDXESRK-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310098;MM310098;COC(C)(C#N)OC=CF;XXUCQVFILMLOOM-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310099;MM310099;C=COC1CC(=N)N(C)C1;JMNMAJLIEYYEHS-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310100;MM310100;CCC1(CC)CC1C(N)=O;QDTMFLOBCSKGIC-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310101;MM310101;C#CCC1CC(=C)C(C)C1;COUWOIDTDKOUBF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310102;MM310102;COC(C)(C=O)OC=NO;UXVOIAOBKZCCRY-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310103;MM310103;C#CCC1CC(=O)C(C)C1;OUGNKTOFFPOIAT-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310104;MM310104;C=CC(C)(CC)ON=CC;LOBSNGMIMBFJHM-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310105;MM310105;C#CCC1CC(=C)C(N)C1;VGAXFTUOFKRBDU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310106;MM310106;C=CC(C)(OC)ON=CC;WOEDQXKBOYHRTJ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310107;MM310107;C=NOC(CC=O)C(=C)C;XNDQSWYADYJFMR-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310108;MM310108;CC=NOC(C)(C=O)OC;KJKLWGGINRVZOT-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310109;MM310109;C#CCC1CC(=O)C(O)C1;ZGELJEUHQBSATJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310110;MM310110;CC=NOC(C)(C#N)OC;VEHNMYMCKCZMET-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310111;MM310111;C#CCC1CC(=C)C(F)C1;HPWLLWIMQAMGOB-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310112;MM310112;C#CC(C)(CC)CC=CC;FDRIQPXSMPHMPC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310113;MM310113;C#CCC1CC(C)C(=O)N1;MVJBWGVJMMCTNZ-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310114;MM310114;C#CC(C)(CC)CC=CF;HYTRCRATAYINMC-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310115;MM310115;C#CCC1CC(N)C(=N)N1;VYHTXELHSYGTOW-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310116;MM310116;C#CC(C)(CN)CC=CC;HUQWASNNEPJIRO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310117;MM310117;C#CCC1CC(C)C(=O)O1;OEAVCBVLTYTLFC-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310118;MM310118;C#CC(C)(CN)CC=CF;HYESGVCSUVSIHN-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310119;MM310119;C#CCC1CC(N)C(=C)O1;VNVMVESQFGOBRI-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310120;MM310120;C=C(CO)C(=C)CCCO;OCJCHDKRJZTJGZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310121;MM310121;C#CCC1CC(=N)N(C)C1;MGTJTTYSQWJFJU-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310122;MM310122;C=CC(C=O)C(C#N)NC;AFEAUVUIZDJYEY-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310123;MM310123;C#CCC1CC(=N)N(N)C1;MZWDZOHDLBJUPY-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310124;MM310124;C#CC(C)(CF)CC=CC;JITDRAHKIBFCCL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310125;MM310125;C#CCC1CC(=O)N(N)C1;LWJYQXXUMVCIBV-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310126;MM310126;C#CC(N)(CC)CC=CC;FDNGDBIWFVVYJC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310127;MM310127;C#CCC1CC(=O)N(C)N1;CEFCMMIBDXEQPF-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310128;MM310128;C#CC(N)(CC)CC=CF;IAJOPXVRRJYOSG-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310129;MM310129;C#CCC1CC(=N)N(C)O1;FDUZBHIYEPCTKD-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310130;MM310130;C#CC(C)(CC)CC=NN;WEVLYZSMXLEOLS-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310131;MM310131;C=C1CC(CCC)CC1=C;QOTNGAYURZRFHM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310132;MM310132;C#CC(C)(CC)CC=NO;GYIWQZDDQXMEOE-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310133;MM310133;C=C1CC(CCN)CC1=C;PLGBCHYMVYMJBJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310134;MM310134;C#CC(C)(CO)CC=NO;CWCSJGLFNLLNGA-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310135;MM310135;C=C1CC(NCC)CC1=O;RZFSPADSGUAIRV-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310136;MM310136;CC=C(C=CCCO)CO;CQIUGLAXCLZQBC-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310137;MM310137;CCNC1CC(=O)C(=O)C1;HUZAFMWYDHGAFL-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310138;MM310138;C#CC(O)(CO)CC=NO;IXPFGNXYDWRWHD-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310139;MM310139;C=C1CN(CCC)CC1=O;UWQAIRVARYPPCP-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310140;MM310140;C#CC(F)(CO)CC=NO;NZWNVWJVOBUJCI-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310141;MM310141;CCN(C)C=CC(=O)CF;KAGVHWOIZNBPKW-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310142;MM310142;C#CC(C)(CC=CC)NC;JGNPNQHHGZUBNH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310143;MM310143;NCCn1nc(N)c(=O)o1;QSZLJDMFLJMINV-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310144;MM310144;C#CC(C)(CC=CF)NC;YEXDSOJMELWTIZ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310145;MM310145;C=CC(C=CC(N)=O)CO;YYFBDIXQZWAMKJ-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310146;MM310146;C#CC(C)(CC=CC)OC;FQQRVPFSWDTEFU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310147;MM310147;COC(=O)C(=N)NCC=O;LVLFBPYXDQDTCV-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310148;MM310148;C#CC(C)(CC=CF)OC;HVCYSJRQHJYRNS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310149;MM310149;C=NN=CC=C(N)C(=O)O;VYPWIRSVLDEOJV-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310150;MM310150;C#CC(C)(CC=NN)OC;CKIXAYCXQJJEIE-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310151;MM310151;C#CC(C)(CC=NO)OC;KLVOKOORYGTDHP-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310152;MM310152;O=C(O)CC(O)C=NO;YPASJOFOUCUTQC-UHFFFAOYSA-N;133.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310153;MM310153;C#CC(C)(CC)N=CNC;GHZUOHWGHIFCJQ-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310154;MM310154;C=CCC1CC(=C)C(=C)C1;QIVQNGFTJQLEKF-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310155;MM310155;C=CC(=CCCCO)CO;FCSPGZJAGAHQCA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310156;MM310156;C=CCC1CC(=C)C(=O)C1;ZYCVPNJBNGIBNC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310157;MM310157;C#CC(C)(CC)NN=CC;LQNWTIIOWRTXAL-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310158;MM310158;C=C1CC(CC#N)CC1=O;KNWXNHISRFNWNS-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310159;MM310159;CC=CC1=NNC(C=O)C1;QOFDWCMJLABEPZ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310160;MM310160;C=CCC1CC(=O)C(=O)C1;DRBMITKUGTVQBJ-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310161;MM310161;N#CCC1CC(=O)C(=O)C1;LJAKDWVYIIGEMQ-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310162;MM310162;C#CC(C)(CC)OC=CF;LEDRFXADPYPRJQ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310163;MM310163;C#CC(C)(CO)OC=CC;OTGKFVJWYQKPKN-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310164;MM310164;C=C1CC(NC=N)CC1=C;NFEPGNYXRRWQTA-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310165;MM310165;C#CC(C)(CO)OC=CF;UZYKZASWANVFJM-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310166;MM310166;N=CNC1CC(=O)C(=O)C1;GJCMYTTUUGCFFJ-UHFFFAOYSA-N;140.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310167;MM310167;C=NNC1CC(=C)C(=C)C1;WSKZSQWUHNLQBF-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310168;MM310168;OCCCCC#CC1CN1;UTVJVLSKLASAJL-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310169;MM310169;CCC(CC=NN)C(N)=O;FSXTUBGSGCRKKL-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310170;MM310170;C#CC(C)(CC)OC=NO;USUDGKYOKYWKSN-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310171;MM310171;C=COC1CC(=C)C(=O)C1;RSVUTPSNYCHHON-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310172;MM310172;C#CC(C)(CN)OC=NO;XAVKGZUPGIDBCJ-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310173;MM310173;C=CCN1CC(=C)C(=O)C1;CQLFPSDMGCDJCS-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310174;MM310174;C#CC(C)(OC)OC=CC;UWGJJGRWXKPVNU-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310175;MM310175;C=C1CN(CC#N)CC1=O;IKDVKDHKTRTBKD-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310176;MM310176;C#CC(C)(OC)OC=CF;XBNITBUMBCKFOJ-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310177;MM310177;C=CCn1cc(O)c(O)c1;ROPPUELCICTAGV-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310178;MM310178;C#CC(C)(CC)ON=CC;WBZZLNTYIWAEOO-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310179;MM310179;N#CCn1cc(O)c(O)c1;BAXBIFPUEXGUGA-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310180;MM310180;C#CC(C)(OC)ON=CC;ZFUAVFYFLNZUTA-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310181;MM310181;C=C1CN(NC=N)CC1=C;WVLGOGNJIJKVGZ-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310182;MM310182;C=CC(C)(C=C)CC=CC;BGVUGFRPINKGAX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310183;MM310183;C=C1CN(NC=N)CC1=O;AQORQFAWGJLFKH-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310184;MM310184;C=CC(C)(C=C)CC=CF;RUBBZKYAYGBACK-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310185;MM310185;C=Cc1n[nH]n(N)c1=O;UUROFRMQYLMZJU-UHFFFAOYSA-N;126.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310186;MM310186;C=CC(C)(C=O)CC=CC;GMGLZJYYYJMKNJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310187;MM310187;COCCN=C(N)C(=O)O;QTDSXEWLIDTTAO-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310188;MM310188;C=CC(C)(C#N)CC=CC;WIZBMPUUGIXXMW-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310189;MM310189;CON=CC(C=O)C(C)C;JTXIERBDBUHYEO-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310190;MM310190;C=CC(C)(C=O)CC=CF;KGSYSGDCCNQMJL-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310191;MM310191;CNc1cc(C=NN)c[nH]1;OVLISKZDVGGCDD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310192;MM310192;C=CC(C)(C#N)CC=CF;VZRNVUVFNJDJOK-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310193;MM310193;NNc1non(C=O)c1=O;WXIQFNGXFYMYRM-UHFFFAOYSA-N;144.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310194;MM310194;CC=CCC(C)(C=O)C=O;LHHSXFZUEWERIV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310195;MM310195;Cn1cn[nH]ccc(=O)o1;LPNALSYJNDJPEN-UHFFFAOYSA-N;141.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310196;MM310196;CC(C#N)(C#N)CC=CF;GZMAPBUBHYVHNK-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310197;MM310197;C#CCC1CC(=C)C(=O)C1;PDSUPECRTVMOTG-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310198;MM310198;C=CC(N)(C=C)CC=CC;YMBDJLWQVKUAFW-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310199;MM310199;C#CCC1CC(=O)C(=O)C1;QCFARQDZPHUIJC-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310200;MM310200;C=CC(N)(C=C)CC=CF;ZVMPMADBBSYLDI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310201;MM310201;C#CCn1cc(O)c(O)c1;BLWCGMNYXUFZJW-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310202;MM310202;O=CN1C=CC(CF)C=N1;KGFGLAFRGABDEQ-UHFFFAOYSA-N;142.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310203;MM310203;CN=c1nc(O)on1O;KMTCDMIQRREXRS-UHFFFAOYSA-N;131.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310204;MM310204;C=CC(O)(C=C)CC=CF;CZWDQCQKHCMCNJ-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310205;MM310205;CNC=C(NC=O)C(=O)O;JVGMOEOUFJSUBH-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310206;MM310206;C=CC(O)(C#N)CC=CF;RVNQPPJIFGBPTM-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310207;MM310207;CC1NC1C(=O)C=O;YOIFUWYURZTQDV-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310208;MM310208;C=CC(C)(C=C)CC=NN;QVCYLVVRBQJZGX-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310209;MM310209;C=CCOC(=C)C(=O)O;VMBYFWRTOFRRED-UHFFFAOYSA-N;128.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310210;MM310210;C=CC(C)(C=C)CC=NO;YCTHMDANPAOZKY-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310211;MM310211;CCCCCNC(C)=O;PTBCMKWBUAWWMQ-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310212;MM310212;C=CC(C)(C#N)CC=NO;ATAWHRXQLKUHFK-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310213;MM310213;CC(=O)NC(=CN)C(=O)O;LDRIHVLDUFWVAA-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310214;MM310214;O=CC(O)(C=O)CC=NO;HJXVPYAWQONCLC-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310215;MM310215;CC=CC1CC(C)C(C)C1;NVMWWIYEWYAUHH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310216;MM310216;C=CC(C)(C=C)NC=NC;JDURHOBFBUVTQT-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310217;MM310217;CC=NN1CC(C)C(N)C1;QTZLIEWZCPZZFF-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310218;MM310218;C=CC(C)(C=O)NC=NC;KDPQIXLOCDFETI-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310219;MM310219;C=C1CC(C=CC)CC1N;PNHHWYHNEBOJCZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310220;MM310220;CN1CC1CC=O;QEONZZALGWKWAI-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310221;MM310221;CC=CC1CC(=N)N(N)C1;RGBLMEMTQFIMHV-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hexan-1-ol;MM00868;CCCCCCO;ZSIAUFGUXNUGDI-UHFFFAOYSA-N;102.18;1.56;8103;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310222;MM310222;CN1CC(C=NN)CC1=O;BCQYNZCWQGERDV-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310223;MM310223;C=CC(C)(C=O)NN=CC;XJMBFVIDHZTDHD-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310224;MM310224;CC=CC1CN(O)C(=N)N1;JFGNPEAMVXYUME-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310225;MM310225;CC=CC1CC(=O)C(=O)C1;PBOSOZCZHOAHCQ-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310226;MM310226;CC(C)C=CC(C)O;CIBOIYZNTDDUCJ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310227;MM310227;C=C1CC(C=CC)NC1=N;JZVFJAXFODZARQ-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310228;MM310228;CC(C)CCCCO;ZVHAANQOQZVVFD-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310229;MM310229;C=C1CN(N=CC)CC1=C;WFEOFVPJRKARKH-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310230;MM310230;CC(F)CCCCO;VTUPFVKEBMEIQM-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310231;MM310231;CC=NOC(C)CC=O;DHSCPZJVPLUORD-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310232;MM310232;C=CC(C)(C=C)OC=CC;NBWLEVJCQDCRNS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310233;MM310233;CCC(C)=CCNC=O;CCSJNXILUWGGMA-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310234;MM310234;C=CC(C)(C=C)OC=CF;LMOMOPYLMMMOKN-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310235;MM310235;C=COC=COCC(=O)O;WPCCZEQRXDIWHX-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310236;MM310236;C=CC(C)(C#N)OC=CC;RSVWCVJJGLLEIV-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310237;MM310237;C#CC1N=CN(C)C1=N;ISCDUZUKSJSGHW-UHFFFAOYSA-N;121.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310238;MM310238;C=CC(C)(C=O)OC=CF;YEIZJNPVQAZNEU-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310239;MM310239;Nc1nn(C=NO)oc1=O;QMWMFSJKEHDAHE-UHFFFAOYSA-N;144.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310240;MM310240;C=CC(C)(C#N)OC=CF;GDRQFRWDXSSXQC-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310241;MM310241;C=CC1(C)OC1C(=O)O;VNPCHFBTHZKHGS-UHFFFAOYSA-N;128.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310242;MM310242;CC(C=O)(C=O)OC=CF;HNDCKZOXILVBHH-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310243;MM310243;COCOC(C)C(=O)O;SCDDPXCTSGNPLZ-UHFFFAOYSA-N;134.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310244;MM310244;CC(C#N)(C=O)OC=CF;ASAVQUXDJAUYRZ-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310245;MM310245;C=CC(C)(O)C(O)C(=O)O;BGPBKFNVUFUANZ-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310246;MM310246;CC(C#N)(C#N)OC=CF;OOIYMNIGGZDCEX-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310247;MM310247;OCCCCC(F)F;GPCDWSYXWIJMPJ-UHFFFAOYSA-N;124.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310248;MM310248;CC#CC1CC(C)C(F)C1;HJKRHHOHTXASPL-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310249;MM310249;C=CC(C)(C=C)OC=NO;ZRADTXKXIZJYEU-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310250;MM310250;C=C1CC(C#CC)CC1F;LBCMASSBYWSMQG-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310251;MM310251;C=CC(C)(C=C)ON=CC;JIXMUOGIPCQMLB-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310252;MM310252;CC#CC1CC(=N)N(C)C1;JFXDZKYHFAWJFJ-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310253;MM310253;C=CC(C)(C#N)ON=CC;GRPICAXGIUVCDA-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310254;MM310254;CC#CC1CC(=O)N(C)C1;NHTHPYYRQXUVBG-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310255;MM310255;C#CC(C)(C=C)CC=CC;MPBAXTWUQWFGKQ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310256;MM310256;CC#CC1CC(=N)N(N)C1;HTRVHWCTEZQBHW-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310257;MM310257;C#CC(C)(C=C)CC=CF;GDSRURCKQVNSBU-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310258;MM310258;CC#CC1CC(=O)N(N)C1;TTXBBLUDLXUUED-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310259;MM310259;C#CC(C)(C#N)CC=CC;DFEUNXGSWRYTEG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310260;MM310260;CC#CC1CC(=N)N(O)C1;HAOURJNFJPAMKU-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310261;MM310261;C#CC(C)(C=O)CC=CF;ZFZJEJDEUKPPOE-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310262;MM310262;C=C1CC(C#CC)CC1=C;QJGWXSNVVLNCHA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310263;MM310263;C#CC(C)(C#N)CC=CF;NCTMQQQMOIOHSF-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310264;MM310264;C=C1CC(C#CC)CC1=O;OMPRURDZXGYMDU-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310265;MM310265;C#CC(N)(C=C)CC=CC;URTMXRBFEKVUKE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310266;MM310266;CC#CC1CC(=O)C(=O)C1;FTAJDZQIYPDRLW-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310267;MM310267;C#CC(N)(C=C)CC=CF;SPILSLRZAIEGON-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310268;MM310268;CCC=C1CC(C)C(C)C1;AKQFLZABSXRPME-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310269;MM310269;C#CC(O)(C=C)CC=CF;DZWDUPSZYHIGEQ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310270;MM310270;CCC=C1CC(C)C(N)C1;KAJQPGHFOBQDMF-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310271;MM310271;C#CC(C)(C=C)CC=NN;SIQCYWIOQGUGEU-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310272;MM310272;C=Cc1c[nH]c(N)c1F;QQAISKYGXTVXDW-UHFFFAOYSA-N;126.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310273;MM310273;C#CC(C)(C=C)CC=NO;LBKMAXRRUVTUDX-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310274;MM310274;CCC=C1CC(C)C(F)C1;SVLPJBCWFFIPBP-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310275;MM310275;C#CC(C)(C=O)CC=NO;HNZPSJUWVCGUFL-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310276;MM310276;C#CC(C)(C#N)CC=NO;OSVJEIJWPXRBDP-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310277;MM310277;NCC=C1CC(N)C(N)C1;YGMSIVHUXLRSFJ-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310278;MM310278;C#CC(O)(C=C)CC=NO;DJOVZXMMASFLBI-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310279;MM310279;CCC=C1CC(C)N(C)C1;BKJPXMHOYOEPCO-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310280;MM310280;C#CC(O)(C=O)CC=NO;KEKUGBYGCJKQHN-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310281;MM310281;C=CC=C1CC(C)C(C)C1;RELQWMPRGSRBKI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310282;MM310282;C#CC(O)(C#N)CC=NO;FROZQEUERGEAGW-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310283;MM310283;CC1CC(=CC=O)CC1C;YOOGWGCFJAVWSO-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310284;MM310284;C#CC(F)(C=C)CC=NN;CAAMTYSWDNUCCU-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310285;MM310285;CC1CC(=CC#N)CC1C;ZZVNMGGONJJBBB-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310286;MM310286;C#CC(F)(C=O)CC=NO;GRVDPHWIVSYBHX-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310287;MM310287;C=CC=C1CC(C)C(N)C1;CFOMPZZRIUGQJH-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310288;MM310288;C#CC(C)(C=C)NC=NC;RVZBJGCODKSNFI-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310289;MM310289;Cc1c(N)n[nH]c1CF;LOQUGTYHZLCYJA-UHFFFAOYSA-N;129.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310290;MM310290;CC(O)C=CC1CC1;CMOTXTZCKIJZFJ-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310291;MM310291;C=CC=C1CC(C)C(F)C1;XUJALJRDSHLINC-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310292;MM310292;O=CC1NC1C(F)F;QHHISSXKDLDZGY-UHFFFAOYSA-N;121.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310293;MM310293;CC1CC(=CC=O)CC1F;AXYXNFCJTBWYCE-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Heptan-1-ol;MM00866;CCCCCCCO;BBMCTIGTTCKYKF-UHFFFAOYSA-N;116.2;1.95;8129;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310294;MM310294;CC1CC(=CC#N)CC1F;GGFHLGDKHVJOEN-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310295;MM310295;C#CC(C)(C=C)OC=CC;UBJUWNUMDOBZFL-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310296;MM310296;C=CC=C1CC(N)C(N)C1;RRUFGMMTRUSCIO-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310297;MM310297;C#CC(C)(C=C)OC=CF;WZDWYNCERNOASN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310298;MM310298;C=CC=C1CC(N)C(O)C1;XNCZMFFFLXBSFY-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310299;MM310299;C#CC(C)(C=O)OC=CC;LBPVUPCTHIGSTK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310300;MM310300;CC1CC(=CC#N)NC1C;YYEJJQMFEIIOIX-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310301;MM310301;C#CC(C)(C#N)OC=CC;VLQQKLJRFZHLOJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310302;MM310302;C=CC=C1CC(C)C(C)O1;RPQPVIFBOHZAKY-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310303;MM310303;C#CC(C)(C=O)OC=CF;IEPUCDQOOJGOCW-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310304;MM310304;C=CC=C1CC(C)N(C)C1;IHGJXGOFPVNJSH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310305;MM310305;C#CC(C)(C#N)OC=CF;AIGYXARLVYNXPD-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310306;MM310306;C#CC=C1CC(C)C(C)C1;VYCNMGSVTBWWCH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310307;MM310307;C#CC=C1CC(C)C(N)C1;BBGSTYPPDZVUCJ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310308;MM310308;C#CC(C)(C=O)ON=CC;GYAMUPQNOHSZQB-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310309;MM310309;NN=C1C=CN(C=O)C1;FIPHHWOFWFCJGK-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310310;MM310310;C#CC(C)(C#N)ON=CC;HBKZPCOHQLOWKX-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310311;MM310311;C#CC=C1CC(C)C(F)C1;RINZUVLWXAMNFL-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310312;MM310312;C#CC(C)(C#C)CC=CC;XWSRKSHKYYJWHQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310313;MM310313;C#CC=C1CC(N)C(N)C1;GHKXXWNQKQJXMB-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310314;MM310314;C#CC(C)(C#C)CC=CF;ZVTFQQLKKYBFNN-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310315;MM310315;C#CC=C1CC(N)C(O)C1;XUPLCBDHNRUNEL-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310316;MM310316;C#CC(C)(C#C)CC=NN;WXWGRNDVNKNXNV-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310317;MM310317;C#CC=C1CC(O)C(O)C1;AJXLVBHAKKQJDO-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310318;MM310318;C#CC(C)(C#C)CC=NO;DIEJTEZUAZBBKJ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310319;MM310319;C#CC=C1CC(O)C(F)C1;GVIXRUMSJHQRLC-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310320;MM310320;C#CC(O)(C#C)CC=NO;UNHNHAFYUNUAJZ-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310321;MM310321;C#CC=C1CC(C)C(C)O1;SPKIGVSPJUAEDI-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310322;MM310322;C#CC(F)(C#C)CC=NN;YRNGBOUVRTWMQD-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310323;MM310323;C#CC=C1CC(F)C(C)O1;LBNYNZHUELIIAG-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310324;MM310324;C#CC(F)(C#C)CC=NO;AONTVRHGDKRNCP-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310325;MM310325;C#CC=C1CC(C)N(C)C1;QNSSHIXZNWVCQD-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310326;MM310326;OCCCCCCF;JWCOWLWBOYGUPA-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310327;MM310327;C=C1CC(=CCC)CC1C;RBEZVGDOUHILQZ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310328;MM310328;C#CC(C)(C#C)OC=CC;RFJBUKNZJFSSSE-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310329;MM310329;CCC=C1CC(=O)C(C)C1;HDDZSONRBQADDK-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310330;MM310330;C#CC(C)(C#C)OC=CF;ZJLCASPSWCPQBU-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310331;MM310331;C=C1CC(=CCC)CC1N;KKQGEENMYMNCNO-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310332;MM310332;C#CC(C)(C#C)ON=CC;SRQVYJWCKDKRLI-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310333;MM310333;O=CC1CC(CF)=NN1;QYGSWSKZLYWTSR-UHFFFAOYSA-N;130.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310334;MM310334;CC#CCC(C)(CC)CC;GEIOJVGMQIEXCH-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310335;MM310335;CCC=C1CC(=O)C(O)C1;LSFZYAPDAPVTDF-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310336;MM310336;CC#CCC(C)(CC)CN;XJXSNNYQVIHVFT-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310337;MM310337;CCC=C1CC(C)C(=N)N1;HOFHHKXGUHUQGC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310338;MM310338;C=CCCCCCO;UFULDTPDHIRNGS-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310339;MM310339;CCC=C1CC(C)C(=O)N1;GSZVQJJISXQCGW-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310340;MM310340;CC#CCC(C)(CN)CO;WKDCSTQYFOWHDV-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310341;MM310341;CC1CC(=CCN)NC1=O;XVTVTEFOZLNUFH-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310342;MM310342;CC#CCC(C)(CN)CF;NWXLMFIQHFTBQK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310343;MM310343;CCC=C1CC(C)C(=O)O1;NBUQJRHKMBXQFV-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310344;MM310344;CC#CCC(N)(CC)CC;DDASYSGCYLUDNF-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310345;MM310345;CCC=C1CC(=N)N(C)C1;XKKCFJVOBDMOHM-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310346;MM310346;CC#CCC(N)(CC)CN;NJKGLXZWAGNDKE-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310347;MM310347;CN1CC(=CCN)CC1=N;DVZQIWLTPQZNOB-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310348;MM310348;CC#CCC(N)(CN)CF;UZNVSXNTHHOCCR-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310349;MM310349;CN1CC(=CCO)CC1=N;GVGCEJAIAVVICF-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310350;MM310350;CC#CCC(N)(CO)CO;VEFWMNNSTLQBBZ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310351;MM310351;CCC=C1CC(=O)N(C)C1;RNEHOUVAOSHVOK-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310352;MM310352;CC#CCC(N)(CO)CF;FDCKFCIYMFWNOC-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310353;MM310353;CN1CC(=CCN)CC1=O;NLQAILHTPZYGQM-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310354;MM310354;O=CCCCCCO;FPFTWHJPEMPAGE-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310355;MM310355;CCC=C1CC(=N)N(N)C1;CEBMMXHRCGUSLZ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310356;MM310356;CC#CCC(O)(CN)CF;GEPQXQHVLKBZNT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310357;MM310357;CCC=C1CC(=O)N(N)C1;JKIYRKJPMMFVKF-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310358;MM310358;CC#CCC(F)(CC)CN;KDMDEIFXZPUARW-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310359;MM310359;N=C1CC(=CCN)CN1O;DWRPQHHXKAHANA-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310360;MM310360;CC#CCC(F)(CN)CN;VZJTZGJGXBRMSR-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310361;MM310361;CCC=C1CN(N)C(=N)N1;XOVYIODIYYETDQ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310362;MM310362;CC#CCC(F)(CN)CO;UKQTVZZZIMLRPA-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310363;MM310363;CCC=C1CN(O)C(=N)N1;DAQOVKQKYRCTHP-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310364;MM310364;CC#CCC(F)(CO)CO;CAYFMDXJCMKFBU-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310365;MM310365;N=C1NC(=CCN)CN1O;QUSJYNNKARHYBR-UHFFFAOYSA-N;142.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310366;MM310366;CC#CCC(C)(CC)NC;FQMVOFGTSYVBHK-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310367;MM310367;NCC=C1CN(O)C(=O)N1;SNVDHFYOVNQHFX-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310368;MM310368;CC#CCC(C)(CN)NC;PWZPNRVPHIQYKP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310369;MM310369;CCN=C1CN(C)C(=N)N1;QNPWWFRVTWFZJV-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310370;MM310370;CC#CCC(C)(CC)OC;XUCNWDRXPAPPOB-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310371;MM310371;CC(C#CC1CN1)CO;NCUXRANJSSUEIR-UHFFFAOYSA-N;125.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310372;MM310372;CC#CCC(C)(CO)OC;GKZUJLNBRDHZFI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310373;MM310373;CNN=c1oc(=O)n(C)o1;KZFMHTBLTANMDN-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310374;MM310374;CC#CCC(C)(OC)OC;UQBIZRNWMGXMJS-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310375;MM310375;CCCC=CCNC=O;CUBZPHRFBVKZDV-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310376;MM310376;C=CC(C)(CC)CC#CC;HQRJOCYVEZMIPF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310377;MM310377;C=CC(C)(C)CC(=O)NC;BPYNWQFCYZAJJP-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310378;MM310378;CC#CCC(C)(C=O)CC;KUEBVJSANMTFLY-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310379;MM310379;CCC(C)(C)CNC(C)=O;HJUKIVWGKKGFQQ-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310380;MM310380;CC#CCC(C)(C#N)CC;GMJVAPRHIIJVLG-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310381;MM310381;C=C(C)OC(CO)C(=O)O;VUIOJXDHRBFYEH-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310382;MM310382;C=CC(C)(CN)CC#CC;IDGWCTGFSHDFCB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310383;MM310383;CON=c1oc(=N)n(C)o1;RHNVBNHQSXTJLA-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310384;MM310384;N#CCCCCCO;OKBBHAGZRNKJPR-UHFFFAOYSA-N;113.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310385;MM310385;CON=c1oc(=O)n(C)o1;WXFMVBPJBJTQHV-UHFFFAOYSA-N;146.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310386;MM310386;CC#CCC(C)(C#N)CO;VIIUFNMVKXDLCZ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310387;MM310387;CON=c1oc(=N)n(N)o1;DKZDUCOZRBHKQO-UHFFFAOYSA-N;146.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310388;MM310388;C=CC(C)(CF)CC#CC;TYOOQXXYZNSLHV-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310389;MM310389;CON=c1oc(=O)n(N)o1;BNTPFSOITSSSCF-UHFFFAOYSA-N;147.09;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310390;MM310390;C=CC(N)(CC)CC#CC;XQTLFXSUWPKMIF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310391;MM310391;C=C(CC(C)C(N)=O)OC;FTOSBRFASQZCJT-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310392;MM310392;C#CCCCCCO;BVRCLEXKQNWTDK-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310393;MM310393;C=CC=C1CC(=C)C(C)C1;MDVHEIKNLJXETQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310394;MM310394;CC#CCC(O)(C=O)CC;OPOZEVSHPDUOON-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310395;MM310395;C=C1CC(=CC=O)CC1C;QPRMVJHAARQLCF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310396;MM310396;CC#CCC(O)(C#N)CO;RMILSVARRVNFFB-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310397;MM310397;C=C1CC(=CC#N)CC1C;PJRSJXKLPNTFKG-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310398;MM310398;C=CC(O)(CF)CC#CC;YDCVNJJBZDSFQJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310399;MM310399;C=CC=C1CC(=O)C(C)C1;DZSSGPJLHVQAEB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310400;MM310400;CC#CCC(F)(C#N)CC;UGQNFEFHUXZLQS-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310401;MM310401;CC1CC(=CC#N)CC1=O;WVMZNHKSISUOBV-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310402;MM310402;C=CC(F)(CN)CC#CC;TUZMARZAJRXBMO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310403;MM310403;C=CC=C1CC(=C)C(N)C1;UYBHIQCAYYTVHS-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310404;MM310404;CC#CCC(F)(C=O)CO;QYPPRVBWVATVLH-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310405;MM310405;C=C(CC(C)OC)C(N)=O;ARRWIHICVGVCMJ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310406;MM310406;C=CC(C)(CC#CC)NC;ZHVMUMJSBNCLEM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310407;MM310407;CC#CCC(C)(C#N)NC;UVZWURWJUSTEBU-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310408;MM310408;CC(=CC(C)CO)C(N)=O;VBNPGFIJEKGQKH-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310409;MM310409;N#CC=C1CC(=O)C(O)C1;NWPUDIQXLYSBJU-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310410;MM310410;CC#CCC(C)(C#N)OC;QLAOTJUXWJYQON-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310411;MM310411;C=CC=C1CC(=C)C(F)C1;NHLQAEGADQDLSB-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310412;MM310412;C#CC(C)(CC)CC#CC;SWOUVNNDPMHQGR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310413;MM310413;C=C1CC(=CC#N)CC1F;YMACRXUQCZVFGP-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310414;MM310414;C#CC(C)(CN)CC#CC;JJIMJRBGWFQRAQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310415;MM310415;C=NN=C1CC(=C)C(C)C1;OWIJDYWGVYKYLI-UHFFFAOYSA-N;136.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310416;MM310416;OCCCCC1CC1;ZBSZQTUXBJZOLE-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310417;MM310417;C=CC=C1CC(C)C(=N)N1;BCLWMRXRSPFMNX-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310418;MM310418;C#CC(C)(CF)CC#CC;KGGVAWJHMCCXQM-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310419;MM310419;CC1CC(=CC=O)N=C1N;WYAVQLSSWQROHI-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310420;MM310420;C#CC(N)(CC)CC#CC;SSGMAJDPWPDBQJ-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310421;MM310421;CC1CC(=CC#N)NC1=N;ZTAOSLZYBAYXPC-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310422;MM310422;C#CC(N)(CN)CC#CC;PGRKEWRFZIDFAH-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310423;MM310423;C=CC=C1CC(C)C(=O)N1;LURIICVVGAGGFL-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310424;MM310424;C#CC(N)(CO)CC#CC;AIOKPBLCLYQCOR-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310425;MM310425;CC1CC(=CC=O)NC1=O;IQTSRZMABWRDIP-UHFFFAOYSA-N;139.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310426;MM310426;C#CC(O)(CC)CC#CC;KQKIENGHAWSUDH-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310427;MM310427;CC1CC(=CC#N)NC1=O;DWACEUIYUBXPHS-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310428;MM310428;C#CC(F)(CN)CC#CC;LYQHJVZEBOIYIK-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310429;MM310429;C=CC=C1CC(N)C(=N)N1;OZZLARRKUDJXIO-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310430;MM310430;C#CC(C)(CC#CC)NC;ZKCXJZUCSNBEAM-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310431;MM310431;C=C1N=C(NC=N)CC1C;JKYLPRNIAVWIJQ-UHFFFAOYSA-N;137.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310432;MM310432;C#CC(C)(CC#CC)OC;UNRZZWTVFMKCIG-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310433;MM310433;CC1CC(NC=N)=NC1=N;WUQOZODEBOVVGC-UHFFFAOYSA-N;138.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310434;MM310434;C=CC(C)(C=C)CC#CC;XDZSTKDPBHZUCR-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310435;MM310435;C=CC=C1CC(C)C(=C)O1;IYDSYHVPYMWZFG-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310436;MM310436;C=CC(C)(C=O)CC#CC;FRPSKCCTUXMZBB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310437;MM310437;C=C1OC(=CC#N)CC1C;YIQQMADLGRPNDP-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310438;MM310438;C=CC(C)(C#N)CC#CC;NKQABVSHFWOWQY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310439;MM310439;C=CC=C1CC(C)C(=O)O1;QIRDELVAZWLMFF-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310440;MM310440;CC#CCC(C)(C=O)C=O;HBQNRTWTCUFCRZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310441;MM310441;CC1CC(=CC#N)OC1=O;SIUAGOWCSAJMIP-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310442;MM310442;CC#CCC(C)(C#N)C=O;PMAXAOTZVKTJGX-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310443;MM310443;CC1NC(=CC#N)NC1=N;OZSASMSXSDGKQJ-UHFFFAOYSA-N;136.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310444;MM310444;C=CC(N)(C=C)CC#CC;OALUZTYQPASLRW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310445;MM310445;C=C1CC(=CC#N)OC1C;ZHQVGYLOTQXSLE-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310446;MM310446;OCCCCC1CO1;RYBPVYPKDOBJQK-UHFFFAOYSA-N;116.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310447;MM310447;C=CC=C1CC(=N)N(C)C1;SGFHKOSRGLSWSR-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310448;MM310448;C=CC(O)(C=O)CC#CC;QZEBXFXRDYLZFN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310449;MM310449;CN1CC(=CC=O)CC1=N;AKYFSCWOQOBSOD-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310450;MM310450;C=CC(F)(C=C)CC#CC;AMBPGBWMWIYGAC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310451;MM310451;CN1CC(=CC#N)CC1=N;QUFYVTBKHNMMFG-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310452;MM310452;C=CC(F)(C=O)CC#CC;HBYHSXHPCYUOKU-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310453;MM310453;C=CC=C1CC(=O)N(C)C1;SVDIXJCIOBIZBI-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310454;MM310454;CC#CCC(F)(C=O)C=O;SLLLMIJSVKXIIQ-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310455;MM310455;CN1CC(=CC=O)CC1=O;KPEVSGRQSVTWSF-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310456;MM310456;C#CC(C)(C=C)CC#CC;AAUVVIPHHCVLBR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310457;MM310457;CN1CC(=CC#N)CC1=O;YDLKNRNLVSMFGS-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310458;MM310458;C#CC(C)(C=O)CC#CC;PGOMIKRDKJWEPE-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310459;MM310459;C=CC=C1CC(=N)N(N)C1;IGFJSFHOUJEHQN-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310460;MM310460;C#CC(C)(C#N)CC#CC;QPEDIRCQNGITOA-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310461;MM310461;C=CC=C1CC(=O)N(N)C1;ZOYZXHRMLKXNSD-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310462;MM310462;C#CC(N)(C=C)CC#CC;LDWACJJDIFGCAU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310463;MM310463;C=NN=C1CC(=N)N(N)C1;IDNIHUFSHTUDKJ-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310464;MM310464;C#CC(O)(C=C)CC#CC;NSNNUVGQKYTSEJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310465;MM310465;C=CC=C1CN(C)C(=N)N1;AKYZSOHCLWPGQR-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310466;MM310466;C=CC=C1CN(C)C(=O)N1;UUUATBKGWUZTFV-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310467;MM310467;C#CC(O)(C=O)CC#CC;YCGYJYHRYXLBPE-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310468;MM310468;C=CC=C1CN(O)C(=N)N1;ZWEQCHKLLWMQNS-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310469;MM310469;C#CC(O)(C#N)CC#CC;MFILCJDTAAKLDF-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310470;MM310470;C=CC=C1CN(O)C(=O)N1;ISMGHYMONRKLMQ-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310471;MM310471;C#CC(F)(C=C)CC#CC;COYOVIWANQLGIT-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310472;MM310472;CN1CC(=NC=N)NC1=N;GQJOZDWALAGIMP-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310473;MM310473;C#CC(C)(C#C)CC#CC;YJQVNIYODHGAIE-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310474;MM310474;N=CNC1=NC(=N)N(O)C1;OFTJQGDABVREBK-UHFFFAOYSA-N;141.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310475;MM310475;C#CC(O)(C#C)CC#CC;KEEYZTHKBHOBMQ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310476;MM310476;C=NN=c1oc(=N)n(C)o1;RQIZKXAOOJBJMX-UHFFFAOYSA-N;142.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310477;MM310477;CCC=CC(C)(CC)CC;BXJXEXPFXHYKLE-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310478;MM310478;C=NN=c1oc(=O)n(C)o1;YGGRHAWDSOLEGJ-UHFFFAOYSA-N;143.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310479;MM310479;CCC(C)(C=CCN)CC;CTMMLUKMUCKRIW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310480;MM310480;C=NN=c1oc(=N)n(N)o1;FBMUDUZBIYPSNS-UHFFFAOYSA-N;143.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310481;MM310481;CCC(C)(C=CCO)CC;FJGWQIZJYQSGAA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310482;MM310482;C=NN=c1oc(=O)n(N)o1;ADWYWBKQXGHMDM-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310483;MM310483;CCC(C)(C=CCF)CC;PTIODPUDDBJXJY-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310484;MM310484;CC(=CCC(C)O)C(N)=O;WXFIFTYQCGZRGR-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310485;MM310485;CCC=CC(C)(CC)CN;XMDBVVWRXDXUKQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310486;MM310486;C#CC=C1CC(=C)C(C)C1;FHVUJFTYNPUXBC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310487;MM310487;CCC(C)(C=CCN)CN;OXANLDYOJBAJEI-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310488;MM310488;C#CC=C1CC(=O)C(C)C1;HZCKAISPNFVARF-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310489;MM310489;CCC(C)(C=CCO)CN;DKIGBWGQXIEQIQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310490;MM310490;C#CC=C1CC(=C)C(N)C1;LGMVCUNQYSIQJI-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310491;MM310491;CCC(C)(C=CCF)CN;KGPGOSYBQPYRGZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310492;MM310492;CC=CC(C)CC(=O)NC;BOPALRDZXIWMGM-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310493;MM310493;C#CC=C1CC(=O)C(O)C1;FOQAAQLCWGSWNU-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310494;MM310494;CCN1CC1CC=O;ZBXFZWGPJTZOQR-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310495;MM310495;C#CC=C1CC(=C)C(F)C1;UXGXRSYXLHIRJY-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310496;MM310496;CCC(C)(C=CCN)CO;XDDQPKKPQFFTLF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310497;MM310497;C#CC=C1CC(C)C(=N)N1;OMTHUBFGEVFHMI-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310498;MM310498;CCC(C)(C=CCO)CO;OHAHPVJQMDZCBP-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310499;MM310499;C#CC=C1CC(C)C(=O)N1;RVRMPXPCDHPQQY-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310500;MM310500;CC(C)(C)CCCCO;QYFVEEMPFRRFNN-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310501;MM310501;C#CC=C1CC(N)C(=N)N1;BSBCYYHZBKOEGF-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310502;MM310502;CC(C=CCN)(CN)CN;UFMFBMXMHCHWJZ-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310503;MM310503;C#CC=C1CC(O)C(=N)N1;WJEWRNVKRVJZIY-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310504;MM310504;CC(C=CCO)(CN)CN;SLSGACXVXUALQX-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310505;MM310505;C#CC=C1CC(O)C(=O)N1;YQKHIUXYPXPPHA-UHFFFAOYSA-N;137.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310506;MM310506;CC(C=CCF)(CN)CN;SOQUUNLMZRSVMI-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310507;MM310507;C#CC=C1CC(C)C(=C)O1;XLYAAQDYRHSZMZ-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310508;MM310508;CC(C=CCN)(CN)CO;GCJWSECIJSFLEN-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310509;MM310509;C#CC=C1CC(C)C(=O)O1;CDBSDGJXHFSFGG-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310510;MM310510;CC(C=CCN)(CN)CF;LLNFQHHLMOJPKP-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310511;MM310511;C#CC=C1CC(N)C(=C)O1;BLHAALAELUVAFM-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310512;MM310512;CC(C=CCF)(CN)CF;DKOGUIKTSUBTKQ-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310513;MM310513;C#CC=C1CC(O)C(=C)O1;VLTNTVXIHCYBGD-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310514;MM310514;CCC=CC(C)(CO)CO;XOKUIKVFIUJKCW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310515;MM310515;C#CC=C1CC(F)C(=C)O1;YYJGFJMHHOZCOS-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310516;MM310516;CC(C=CCN)(CO)CO;DSLZTAIQDMTXOR-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310517;MM310517;C#CC=C1CC(=N)N(C)C1;ODJOJRRUSYJVQD-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310518;MM310518;CC(C=CCN)(CF)CF;JRMHIMZTMFYEMW-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310519;MM310519;C#CC=C1CC(=O)N(C)C1;LQYFHJXSZVGUST-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310520;MM310520;CCC=CC(N)(CC)CC;BTVOWJIGWVHRND-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310521;MM310521;C#CC=C1CC(=N)N(N)C1;RQHCTLFXHFXZCJ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310522;MM310522;C#CC=C1CC(=O)N(N)C1;MNQJPOKRKSAOPT-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310523;MM310523;CCC(N)(C=CCN)CC;NOZCTRJMCFWYFT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310524;MM310524;C#CC=C1CN(C)C(=N)N1;GXZNJIDKEIEZDQ-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310525;MM310525;CCC(N)(C=CCO)CC;DAGIMEUTEDQWSB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310526;MM310526;C#CC=C1CN(C)C(=O)N1;CXIYMYMJYJMCAD-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310527;MM310527;CCC(N)(C=CCF)CC;SBVYRMHVRKNFGZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310528;MM310528;C#CC=C1CN(N)C(=N)N1;BSSXKIGBIRLDIH-UHFFFAOYSA-N;136.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310529;MM310529;CCC(N)(C=CCN)CN;KUVYGAUNBIZNQI-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310530;MM310530;CC#CCCC=CC(N)=O;FMUNRYRWISWBPO-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310531;MM310531;CCC(N)(C=CCO)CN;XKAVWMNEZWIBPH-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310532;MM310532;C#CC=C1CN(O)C(=N)N1;ZTJVENQPEKYDDT-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310533;MM310533;CCC(N)(C=CCN)CO;IHGLHUJMFIEOHT-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310534;MM310534;C#CC=C1CN(O)C(=O)N1;FCFWVUDXIYDTCQ-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310535;MM310535;NCC=CC(N)(CN)CN;FHRIBYQZUACATO-UHFFFAOYSA-N;144.22;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310536;MM310536;C=C1CC(=CCC)CC1=C;ONJNHGOXHOXFLD-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310537;MM310537;NCC(N)(C=CCO)CN;CUWUBTKJBOZCMP-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310538;MM310538;C=C1CC(=CCN)CC1=C;SROYXBWTNQRAHP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310539;MM310539;NCC=CC(N)(CN)CO;QPPPIFAJBSADTG-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310540;MM310540;C=C1CC(=CCO)CC1=C;MUZGRWKLNYNUJW-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310541;MM310541;NCC=CC(N)(CO)CO;SGEMTWKGDMPBKO-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310542;MM310542;C=C1CC(=CCC)CC1=O;VVSDSKRXESWGEK-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310543;MM310543;NC(C=CCO)(CO)CO;OHWYXVCEQKIXIS-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310544;MM310544;C=C1CC(=CCO)CC1=O;RBOFAAITKQVWHD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310545;MM310545;NC(C=CCF)(CO)CO;JOHHNYYVOTTXEH-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310546;MM310546;CCC=C1CC(=O)C(=O)C1;DDWYHHOTRKWKIC-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310547;MM310547;CC(C)(O)CCCCO;LNFDWQCEHXSMLT-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310548;MM310548;O=C1CC(=CCO)CC1=O;BXEMZFZYNCNMKI-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310549;MM310549;CCC(O)(C=CCN)CC;IVAOTQVMHCQFRR-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310550;MM310550;C=C1CC(=CCN)NC1=N;IGDFBWKRNCDONB-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310551;MM310551;CCC(O)(C=CCO)CC;QWQZUZBHNBOACG-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310552;MM310552;C=C1CC(=NCC)NC1=C;CVGFWMLAKWRNIS-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310553;MM310553;C=C1CC(=NCC)NC1=N;SZPYVRJGDQOGQJ-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310554;MM310554;CCC(O)(C=CCF)CC;JUZBOHHGZNITRB-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310555;MM310555;C=C1CC(=CCC)OC1=C;FKHWEGZIRONHBC-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310556;MM310556;CCC=CC(O)(CC)CN;VTGZIRBJTDTUJF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310557;MM310557;C=C1CC(=CCN)OC1=C;DEGOVLBEIFHLGV-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310558;MM310558;CCC(O)(C=CCN)CN;JAINRDOZCMSUCO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310559;MM310559;C=C1CC(=CCC)OC1=O;WUEBBBDZYHVBNB-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310560;MM310560;CCC(O)(C=CCO)CN;SEBFGHHWQOEJTL-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310561;MM310561;C=c1oc(=CCC)[nH]c1=N;XEDBZTWLQXHUKT-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310562;MM310562;CCC=CC(O)(CC)CO;LEXAWCXFZWTQOG-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310563;MM310563;C=CC=C1CC(=C)C(=C)C1;VOTFVTZTIBMCMC-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310564;MM310564;CCC(O)(C=CCO)CO;XEVXNEKOJBVSQX-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310565;MM310565;C=C1CC(=CC=O)CC1=C;AFQMPAKOBYJOGU-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310566;MM310566;NCC(O)(C=CCO)CO;UAZFOULRRFVORR-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310567;MM310567;C=C1CC(=CC#N)CC1=C;DEKMPCIYGYLCGE-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310568;MM310568;NCC=CC(O)(CO)CO;ICJFGEQWTWQIKB-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310569;MM310569;C=CC=C1CC(=C)C(=O)C1;ALOYDWHPMJMTNY-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310570;MM310570;OCC=CC(O)(CO)CO;MWBGESLNKHGYMD-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310571;MM310571;C=C1CC(=CC=O)CC1=O;HNTIBBNANWULCB-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310572;MM310572;OCC(O)(C=CCF)CO;YFGBIPLXVAIQPU-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310573;MM310573;C=C1CC(=CC#N)CC1=O;WWROYUJCZVOAFD-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310574;MM310574;C=CC=C1CC(=O)C(=O)C1;PRFXQSBIGLHKTR-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310575;MM310575;CCC=CC(F)(CC)CC;OONIAGAZKSGWDV-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310576;MM310576;O=CC=C1CC(=O)C(=O)C1;BHYYRXGCXUHWKO-UHFFFAOYSA-N;138.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310577;MM310577;CCC(F)(C=CCN)CC;MHMVIDOFAHPJMS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310578;MM310578;N#CC=C1CC(=O)C(=O)C1;VTSLRDGJYIODPT-UHFFFAOYSA-N;135.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310579;MM310579;CCC(F)(C=CCO)CC;NBXVYGDEJLLIIG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310580;MM310580;C=NN=C1CC(=C)C(=C)C1;VWRIIEPDORWRPV-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310581;MM310581;CCC(F)(C=CCF)CC;XCBPOOLPFFDTIR-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310582;MM310582;C=NN=C1CC(=C)C(=O)C1;BROMSPFEAYBNRK-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310583;MM310583;CCC=CC(F)(CC)CN;OQODSMUHNAQQTH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310584;MM310584;C=CC=C1CC(=C)C(=N)N1;USJPQMBEIZQBJI-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310585;MM310585;NCC(F)(C=CCO)CF;DVYCCZHSEJNURJ-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310586;MM310586;C=C1CC(=CC=O)NC1=N;ZCHNQZBNDSWZPU-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310587;MM310587;NCC=CC(F)(CO)CO;QIVVOAUQCMBACW-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310588;MM310588;C=C1CC(=CC#N)NC1=N;KMTJELGZKJJDLT-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310589;MM310589;OCC=CC(F)(CO)CO;QJXLZLVXSQXLFG-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310590;MM310590;C=CC=C1CC(=C)C(=O)N1;SSEMRXINXZQRGO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310591;MM310591;OCC=CC(F)(CO)CF;NYHMKIRIQNBCLH-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310592;MM310592;C=C1CC(=CC=O)NC1=O;JEMKXMKBYIKVDA-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310593;MM310593;CCC(C)(C=COC)CC;ORBFVPWLNBCXTC-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310594;MM310594;C=C1CC(=CC#N)NC1=O;YLLDAIOKEPQUNS-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310595;MM310595;CCC(C)(C=COC)CN;MTIVTTOEKXSDIO-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310596;MM310596;N#CC=C1CC(=O)C(=O)N1;QBCSHNVNDMNTIB-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310597;MM310597;CCC(C)(C=COC)CO;NRSGMILFUDVDCD-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310598;MM310598;COC=NOC(C)CC=O;SCVNVOJEXXUTCV-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310599;MM310599;COC=CC(C)(CN)CN;CUINSQHSFMRPBJ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310600;MM310600;C=CC=C1CC(=C)C(=C)O1;ZFOIKRRXFKWBNH-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310601;MM310601;CCC(N)(C=COC)CC;YYHJHPGTFCCJQF-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310602;MM310602;C=C1CC(=CC#N)OC1=C;QHXCUVQAWATXSU-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310603;MM310603;CCC(N)(C=COC)CN;NEKXERPAWBYEJY-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310604;MM310604;C=CC=C1CC(=C)C(=O)O1;QYDHDWKDBQKNCA-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310605;MM310605;COC=CC(N)(CN)CO;HZVXGOCZUNEZFY-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310606;MM310606;C=C1CC(=CC#N)OC1=O;ZPDSAXSZNSZBPV-UHFFFAOYSA-N;135.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310607;MM310607;COC=CC(N)(CO)CO;CSRAVMWHGVSBNJ-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310608;MM310608;C=CC=c1[nH]c(=N)c(=C)o1;SWHORSQKAATGPM-UHFFFAOYSA-N;136.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310609;MM310609;CCC(O)(C=COC)CC;QVZGASXSJREXTB-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310610;MM310610;C=CC=c1[nH]c(=O)c(=C)o1;RPPKSQFANMXAMO-UHFFFAOYSA-N;137.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310611;MM310611;COC=CC(O)(CN)CN;CXLHZBODRXUJCD-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310612;MM310612;C=c1oc(=CC#N)[nH]c1=O;VHULIQJFLMAYOI-UHFFFAOYSA-N;136.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310613;MM310613;COC=CC(O)(CO)CO;CXWBLWAPFHMRSQ-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310614;MM310614;C#CC=C1CC(=C)C(=C)C1;PISORIOALGIEJI-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310615;MM310615;COC=CC(O)(CO)CF;RERUZLDWKHRZAT-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310616;MM310616;C#CC=C1CC(=C)C(=O)C1;GXDXZZSWXUWQFT-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310617;MM310617;CCC=CC(C)(CC)NC;ZDJSKJPFFBDRHW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310618;MM310618;C#CC=C1CC(=O)C(=O)C1;FMLPPSIFDCPCRQ-UHFFFAOYSA-N;134.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310619;MM310619;CCC(C)(C=CCN)NC;RWTMFBHINMQVHH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310620;MM310620;C#CC=C1CC(=C)C(=N)N1;YTBNLCOUBKXMOR-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310621;MM310621;CCC(C)(C=CCF)NC;DJGIZDZAIJWDOY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310622;MM310622;C#CC=C1CC(=C)C(=O)N1;WHBIHNGCLJUXQI-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310623;MM310623;CCC=CC(C)(CN)NC;IKGYUMZAULZFAL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310624;MM310624;C=CC=NOC(C)CC=O;RUMXGJCNPGBJRF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310625;MM310625;CNC(C)(C=CCO)CO;SWUOMHWMQSBRJT-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310626;MM310626;C#CC=C1CC(=O)C(=O)N1;CDNFQZVEGHTHTH-UHFFFAOYSA-N;135.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310627;MM310627;CCC(C)(C=COC)NC;WYLMAVIASNHXHO-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310628;MM310628;C#CC=C1CC(=C)C(=C)O1;OAJHIPXZQIAYMI-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310629;MM310629;CNC(C)(C=COC)CN;ZYPYYLNEWKIHGP-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310630;MM310630;C#CC=C1CC(=C)C(=O)O1;VERCCOXVICMMKL-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310631;MM310631;CCC=CC(C)(CC)OC;PZMDIFVRJBEBJQ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310632;MM310632;C#CC=C1NC(=N)C(=N)N1;UBOUPKPTNRYMME-UHFFFAOYSA-N;134.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310633;MM310633;CCC(C)(C=CCN)OC;DWTICLGZXNUKBU-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310634;MM310634;C#CC=c1[nH]c(=N)c(=C)o1;TZYUUVUOEUWHGK-UHFFFAOYSA-N;134.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310635;MM310635;CCC(C)(C=CCO)OC;GIOPAUUSKDLDMW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310636;MM310636;C#CC=c1[nH]c(=O)c(=C)o1;HRVFDLJCNOLQMO-UHFFFAOYSA-N;135.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310637;MM310637;CCC(C)(C=CCF)OC;MPDMWMSFBFEKRZ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310638;MM310638;CC1CC(CCN)C=C1F;AYLHXCWCUQPABW-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310639;MM310639;COC(C)(C=CCO)CN;DQZYRPBQPNESHG-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310640;MM310640;C#CC=NOC(C)CC=O;RQWJVZZVPXSXIF-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310641;MM310641;CCC(C)(C=COC)OC;RCCWIQCRGVXCPY-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310642;MM310642;CCNC1C=C(C)C(C)C1;HZNIFRMIKURUTE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310643;MM310643;CCCC1C=C(F)C(C)N1;IITPGQMPWPFXBQ-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310644;MM310644;CCC=CC(C)(OC)OC;LHASIKBMPBGMGL-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310645;MM310645;C=CCC1C=C(C)C(C)C1;NTGDWFYAYBJVGC-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310646;MM310646;COC=CC(C)(OC)OC;BAZSMOMEQMCYBY-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310647;MM310647;C=CCC1C=C(F)C(C)C1;HDSIJOHNBASZIV-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310648;MM310648;CCC(C)(C=NNC)CC;ZFYDQPUVIZLKRH-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310649;MM310649;C=CCN1CC(C)C(C)=N1;RZABSGNWMAMVNN-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310650;MM310650;CCC(C)(C=NNC)CN;CGJSHFARXFASDP-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310651;MM310651;CC1=NN(CC#N)CC1C;YOYCNRXYVQEPBZ-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310652;MM310652;CC(C)(F)CCCCO;XLHBOQBARWJRAK-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310653;MM310653;CC(CCC=NN)C(N)=O;MWWHSKRCPQCMND-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310654;MM310654;CCC(C)(C=NNC)CF;UKNFYQQHWKZWFN-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310655;MM310655;CC(=CCCCO)C(N)=O;YSFGBPCBPNVLOK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310656;MM310656;CNN=CC(C)(CN)CN;MPGLRBLVZLTBEI-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310657;MM310657;C#CCC1C=C(C)C(C)C1;METNPSZLDKIZAH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310658;MM310658;CCC(N)(C=NNC)CC;BIRLGUVEUYSYNY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310659;MM310659;CNN=CC(N)(CN)CO;UGBBBMAORXRMPC-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310660;MM310660;C#CCC1C=C(F)C(C)C1;POPXCOGODNEESY-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310661;MM310661;CNN=CC(O)(CN)CO;GKVLELYZILVSCX-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310662;MM310662;C#CCC1C=C(F)C(O)C1;HSAMMCOMUIDPRJ-UHFFFAOYSA-N;140.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310663;MM310663;CC(C)C(N)=CC(N)=O;NVRRUBMABQOKDM-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310664;MM310664;C#CCC1C=C(C)C(C)N1;ZFUFIDDCYCLZIQ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310665;MM310665;CNN=CC(F)(CN)CF;WEKOEYMPPMQRJY-UHFFFAOYSA-N;151.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310666;MM310666;C#CCN1CC(C)C(C)=N1;ANAFFVSKGCNXOD-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310667;MM310667;CCC(C)(C=NOC)CC;FHNYRGZVBSIPEE-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310668;MM310668;C=CC(CC)CC(=O)NC;WQEULXHYUZZCRV-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310669;MM310669;CCC(C)(C=NOC)CN;NKBOXLDHDXATGK-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310670;MM310670;C=C1CC(CCC)C=C1C;WOMXMVKTFAZYHX-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310671;MM310671;CCC(C)C=CC(C)O;GKWIFVCFOSTRLE-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310672;MM310672;C=C1CC(CCN)C=C1F;IDRVCAUAWJFMET-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310673;MM310673;CON=CC(C)(CF)CF;UHQRVBDXMWMPDF-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310674;MM310674;CCCn1cc(C)c(O)c1;MSANMQLVCSCNAC-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310675;MM310675;CCC(N)(C=NOC)CC;VAOLDNMAWDAORL-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310676;MM310676;C=C1CN(CCC)N=C1C;MJGQPGVPVQKQFL-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310677;MM310677;CCC(N)(C=NOC)CN;TYJJMQBWVAVUCN-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310678;MM310678;CCCn1nc(C)c(=O)o1;CPXJHQXOOMHSEB-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310679;MM310679;CCC(N)(C=NOC)CO;JHKSQVDRJHYZEJ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310680;MM310680;Cc1nn(CCN)oc1=O;FORXVAWAPBVDLL-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310681;MM310681;CON=CC(N)(CN)CO;BINACFILDJCCSG-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310682;MM310682;Cc1nn(CCO)oc1=O;NUNBWUKJTOZKPC-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310683;MM310683;CC(O)C=CC(C)CO;PCLLVBMNXWFILS-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310684;MM310684;Cc1nn(CCF)oc1=O;GAUSBXSGNWNLHL-UHFFFAOYSA-N;146.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310685;MM310685;CCC(O)(C=NOC)CN;IIZWXRWMWPGMRE-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310686;MM310686;CC(O)C=CC(C)CF;VMZJCTDIFQJDRP-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310687;MM310687;C=CCn1cc(C)c(O)c1;QGSCWIUBFLWRCG-UHFFFAOYSA-N;137.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310688;MM310688;CON=CC(O)(CN)CN;XNUJHLBCNLHOHX-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310689;MM310689;Cc1cn(CC#N)cc1O;HFJGJTCTCDEXEQ-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310690;MM310690;CON=CC(O)(CN)CO;SESGCMFAJZCYGJ-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310691;MM310691;C=CCN1CC(=C)C(C)=N1;XYSPWVLLCOZWJQ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310692;MM310692;CON=CC(O)(CO)CF;RYMUYGZJMRSCOS-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310693;MM310693;C=C1CN(CC#N)N=C1C;KCTJDDCGRKCUAW-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310694;MM310694;CNN=CC(C)(CN)OC;DIPAISFFKLOAFV-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310695;MM310695;CC(F)(F)C(CO)C(=O)O;JMSKTGHNLBIGOV-UHFFFAOYSA-N;154.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310696;MM310696;CCC(C)(C=NOC)OC;ZIQVKKBIPZFWGZ-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310697;MM310697;NC1=CC(=CO)OC1=O;ZUIHUQQAORLFEL-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310698;MM310698;CON=CC(C)(CN)OC;NKFAXXVUVFBOSE-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310699;MM310699;C=CCn1cc(C)c(N)n1;BVSAUAQFPDAQDY-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310700;MM310700;C=CC=CC(C)(CC)CC;RLJPARCDVCZBEI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310701;MM310701;CC(=O)CNC(C#N)C=O;DNNDANMUMGHMLE-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310702;MM310702;CCC(C)(C=CC=O)CC;HZHYSKGMRSROSP-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310703;MM310703;CC1C(C)C1(C)CNC=O;QOLAXBPTTGILIJ-UHFFFAOYSA-N;141.21;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310704;MM310704;CCC(C)(C=CC#N)CC;IUFPLONOOLWFOS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310705;MM310705;CCNN=CCC(=O)CC;RLWHPPLEIDSSGR-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310706;MM310706;C=CC=CC(C)(CC)CN;KJIHWSFWZAIAGK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310707;MM310707;N#CCn1cc(F)c(N)n1;NFAHUTPAGXXLNJ-UHFFFAOYSA-N;140.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310708;MM310708;C=CC(=C)C=CC(N)=O;WWAHHXYMCCNEDC-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310709;MM310709;NC=CC=NN=CC(=O)O;MTLIMIBHDSKLGC-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310710;MM310710;C=CC=CC(C)(CN)CN;ALQXRVLFAWQGOP-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310711;MM310711;NNC(=O)CC(O)C(=O)O;DNZAQOJUSQVZLW-UHFFFAOYSA-N;148.12;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310712;MM310712;CC(C=CC=O)(CF)CF;CEOYIMYAPVRXBS-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310713;MM310713;CC(N)=C(NC=O)C(=O)O;IHEKTJXRMSQFKO-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310714;MM310714;C=CC=CC(N)(CC)CC;AYEOCNUNHQIHEU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310715;MM310715;O=COCOCCC(=O)O;WNZXTGKEBSDISY-UHFFFAOYSA-N;148.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310716;MM310716;CCC(O)(C=CC#N)CC;TZXKUTISZMAPCG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310717;MM310717;C=CCn1nc(C)c(=O)o1;WEELCMAYEWMYOX-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310718;MM310718;O=CC=CC(O)(CO)CO;SQFYXQYOJZICDA-UHFFFAOYSA-N;146.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310719;MM310719;Cc1nn(CC=O)oc1=O;YOBWNSMOHKCCLB-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310720;MM310720;N#CC=CC(O)(CO)CO;VMRXJJOAQLLUMT-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310721;MM310721;Cc1nn(CC#N)oc1=O;LCZVCLKPEJYSQN-UHFFFAOYSA-N;139.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310722;MM310722;CCC(F)(C=CC=O)CO;AIYFIICSAVRERU-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310723;MM310723;C#CCC1C=C(F)C(=C)C1;JGBRRYZMJNRKRU-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310724;MM310724;CCC(F)(C=CC#N)CO;VKVOWBZWXZNPTI-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310725;MM310725;C#CCC1C=C(C)C(=O)C1;AMCLIZXPCFVMEN-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310726;MM310726;C=CC=CC(F)(CN)CO;MFDKSAHDKCLGOP-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310727;MM310727;C#CCn1cc(C)c(O)c1;YXDLOJDBMUFUHY-UHFFFAOYSA-N;135.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310728;MM310728;C=CC=CC(F)(CO)CO;CFZNDSPHAODBBZ-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310729;MM310729;C#CCN1CC(=C)C(C)=N1;PKQSRDMJDSHDOH-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310730;MM310730;O=CC=CC(F)(CO)CO;GBTXCHFXSAIFRA-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310731;MM310731;O=C(O)CCOC(=O)CO;IWRKSQCHFUVWOA-UHFFFAOYSA-N;148.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310732;MM310732;CCC(C)(C=CC=O)NC;BEGZVVPBYZQDFP-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310733;MM310733;C#CCn1cc(C)c(N)n1;BXSPDQZDQIZTJZ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310734;MM310734;CNC(C)(C=CC=O)CO;UYCYTHTUPNVKNE-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310735;MM310735;C=NN=CC=CC(=O)CF;PXFPOVITIMHOLZ-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310736;MM310736;CCC(C)(C=CC=O)OC;YMQCOUGEZWLYHA-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310737;MM310737;CC(C)C1(CNC=O)CC1;IUSQQGHZCBZOOZ-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310738;MM310738;COC(C)(C=CC#N)CO;VVIGQDMRPAOSLN-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310739;MM310739;C=CC(C#CCO)C(=O)O;ZICVIVZWQOCFAE-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310740;MM310740;C=CC=CC(C)(OC)OC;WQFLGVFOUQCPPQ-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310741;MM310741;CNC(N)=C(C=O)C(=O)O;OUWBIMDMYMETDV-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310742;MM310742;COC(C)(C=CC#N)OC;CQRFICGCPDFGEW-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310743;MM310743;C=COc1noc(O)n1;RAUQITOQIMUYBR-UHFFFAOYSA-N;128.09;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310744;MM310744;C=NN=CC(C)(CC)CC;CAPWQUQCYISIRG-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310745;MM310745;CC#CC1=NNC(C=O)C1;CEDAIQSZNSOICS-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310746;MM310746;C=NN=CC(C)(CC)CN;GMMNYCSWUBFALN-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310747;MM310747;C#CCn1nc(N)c(F)n1;ZMQMBDMOZQXUEZ-UHFFFAOYSA-N;140.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310748;MM310748;C=NN=CC(C)(CC)CO;YPYKBNXXHFPTKK-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310749;MM310749;CC(O)C(=NO)C(=O)C#N;DALIAZJIDWUIRK-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310750;MM310750;C=NN=CC(C)(CC)CF;XLULSJGSJMTDMC-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310751;MM310751;Oc1c(F)oc(F)c1F;OJOQRPHYOPDYAU-UHFFFAOYSA-N;138.04;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310752;MM310752;C=NN=CC(N)(CC)CC;ZBWFMWVZFQNXHR-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310753;MM310753;C#CCn1nc(C)c(=O)o1;YRMHPZHOWLIRAM-UHFFFAOYSA-N;138.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310754;MM310754;C=NN=CC(N)(CN)CN;BQGFSGJQJKRUFI-UHFFFAOYSA-N;143.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310755;MM310755;C=C1CN(C=NC)C=C1C;AZWBOIFEXNHJRS-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310756;MM310756;C=NN=CC(N)(CN)CO;JTVGXISMAVLMJC-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310757;MM310757;CC(=CF)C1NC1CC=O;NAAFXKDGOBYRMG-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310758;MM310758;C=NN=CC(N)(CF)CF;JHDHETDWYMGADJ-UHFFFAOYSA-N;149.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310759;MM310759;Cc1nn(C=NO)oc1=O;YVFOUZKYZUGPFL-UHFFFAOYSA-N;143.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310760;MM310760;C=NN=CC(O)(CC)CO;ADVDJJOFMDKWHV-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310761;MM310761;CC#CC1C=C(C)C(C)C1;LOTXOPBVAMWJML-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310762;MM310762;C=NN=CC(O)(CN)CO;QXTVYHBKASAOHZ-UHFFFAOYSA-N;145.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310763;MM310763;CC#CC1C=C(C)C(N)C1;QEFAFRILYDJLFM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310764;MM310764;C=NN=CC(O)(CO)CO;ZVOVLVPZEKDZNE-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310765;MM310765;CCC=C1C=C(C)C(C)C1;ZZCGASSUFWYLEM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310766;MM310766;C=NN=CC(O)(CO)CF;RBTFSICHPLMBQT-UHFFFAOYSA-N;148.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310767;MM310767;CC1=CC(=CCN)CC1C;IKOFXDSOKIFHRY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310768;MM310768;C=NN=CC(F)(CC)CO;AZTVVUHDMOUORG-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310769;MM310769;CC1=CC(=CCO)CC1C;GDJYMLFHXUXPST-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310770;MM310770;C=NN=CC(C)(CN)NC;RSPLTIFNTDZTQS-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310771;MM310771;CCC=C1C=C(F)C(C)C1;AECXFSMECPTGDM-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310772;MM310772;C=NN=CC(C)(CC)OC;LXEBAYDRGRNIFL-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310773;MM310773;CCC=C1C=C(C)C(N)C1;CPINQOLGUSLNBC-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310774;MM310774;C=NN=CC(C)(CO)OC;XYUXXVJGRQUKTA-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310775;MM310775;CN(C)C=CC(=O)CF;BWFQGOFCAMUKGX-UHFFFAOYSA-N;131.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310776;MM310776;C=NN=CC(C)(OC)OC;UTENEDRETCUKHT-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310777;MM310777;CCC=C1C=C(F)C(O)C1;BPSDTZLOIGAXQE-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310778;MM310778;C#CC=CC(C)(CC)CC;WBBRXFSCMROYGE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310779;MM310779;CCC=C1C=C(C)C(C)O1;IXYOOJKRKMLMOM-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310780;MM310780;C#CC=CC(C)(CC)CN;MMXVYHWDZDCFCG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310781;MM310781;CNC(=O)C(C)C(C)C;BDVHVHJDMDYWPR-UHFFFAOYSA-N;129.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310782;MM310782;C#CC=CC(C)(CN)CN;NFZRADKIGCUYMQ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310783;MM310783;CNc1[nH]nc(F)c1N;SGUQUKGLBZGEPM-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310784;MM310784;C#CC=CC(C)(CN)CF;WHQUNLUPPPDAMX-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310785;MM310785;C#CC1=NNC(C=O)C1;OLBAJVGZSZNNTH-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310786;MM310786;C#CC=CC(N)(CC)CO;VENKPLORJBQKQM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310787;MM310787;NN=C1CN=C(CF)N1;UMOWUAHHIRJUSY-UHFFFAOYSA-N;130.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310788;MM310788;C#CC=CC(N)(CO)CO;VHHWRTJFRMQANJ-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310789;MM310789;C#CC(C)(C)C=CC(N)=O;KYRLPTRQHFFIMD-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310790;MM310790;C#CC=CC(O)(CN)CO;XWAZJLAHZMLDAE-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310791;MM310791;C=C(CC(C)CO)C(N)=O;QMEUKEKZISDJLU-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310792;MM310792;C#CC=CC(O)(CO)CO;GLPMGCHNDYLIQJ-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310793;MM310793;CC(=O)NCC(C)C(C)C;JDTMBHXEBVXJRF-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310794;MM310794;C#CC=CC(F)(CN)CN;ZYWKPKFYZSQBQH-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310795;MM310795;CNC(=O)CCC=C(C)C;SFVRZXPSEKDYPA-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310796;MM310796;C#CC=CC(F)(CN)CO;DXUFNHMZKRIRJZ-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310797;MM310797;C=CCC(C)CC(=O)NC;ZEHLUBHHIKSKQF-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310798;MM310798;C#CC=CC(F)(CO)CO;AHQRBPFIFNSXBK-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310799;MM310799;C#CCC=CCCC(N)=O;CINIEKOXOHRHAC-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310800;MM310800;C#CC=CC(C)(CN)NC;QCVALZDTOYQZBP-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310801;MM310801;CON=c1cc(C)n(C)o1;WWZBROZZOKZQNV-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310802;MM310802;C#CC=CC(C)(CO)OC;BNSJWHAHIUPTQD-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310803;MM310803;C=CC(C)(C=CCC)CC;GVSLIJQUEXTEKO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310804;MM310804;CON=c1cc(N)n(C)o1;LTUCPZSEXXFZIR-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310805;MM310805;C=CC(C)(C=CCN)CC;PLCANZUVAZGBBA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310806;MM310806;CON=c1cc(F)n(C)o1;IBDMGSBUZCCULA-UHFFFAOYSA-N;146.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310807;MM310807;C=CC(C)(C=CCO)CC;UEUDJTFFXFEXEV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310808;MM310808;CON=c1cc(C)n(N)o1;DGFLELIFDWQNHZ-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310809;MM310809;C=CC(C)(C=CCF)CC;OMUPMCFMDNTEHD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310810;MM310810;CON=c1cc(N)n(N)o1;JGHPPTPLLSSERD-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310811;MM310811;CCC=CC(C)(C=O)CC;OXDAKMPVXCHQMJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310812;MM310812;C=COCCC(C)C(N)=O;GZRRUQCAKJKEEF-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310813;MM310813;CCC(C)(C=O)C=CCF;IMMRLLHJJPXTNV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310814;MM310814;CCN=c1nc(C)n(C)o1;JPQOECPSMZRGIY-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310815;MM310815;CCC(C)(C#N)C=CCF;MGXOBPMSIAZDIL-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310816;MM310816;CCN=c1nc(N)n(C)o1;NYUUJZRGGDLDMA-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310817;MM310817;C=CC(C)(C=CCC)CN;PFZZTEUIMVEMNC-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310818;MM310818;C#Cc1onc(C=O)c1O;QBEDBDDYRKLFAR-UHFFFAOYSA-N;137.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310819;MM310819;C=CC(C)(C=CCN)CN;FYOIKWKCYAHDLV-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310820;MM310820;CCN=c1nc(C)n(N)o1;IBCWFCINEVTPQR-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310821;MM310821;C=CC(C)(C=CCO)CN;KRKVOGVBNNDZQZ-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310822;MM310822;CCN=c1nc(N)n(N)o1;RGBLRJBABZIKCP-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310823;MM310823;CC1(CCC(N)=O)CC1;LNGGPKSSBSQAAA-UHFFFAOYSA-N;127.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310824;MM310824;O=C(O)C(=CF)CCO;QBHLHPFMNWRODL-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310825;MM310825;CCC=CC(C)(C#N)CO;AJJNZFDZZGUTRA-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310826;MM310826;N=C(N)C(=O)OCCC=O;NQQWITWXDDREAH-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310827;MM310827;CC(C=O)(C=CCO)CO;WINHIKQXLDGHCV-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310828;MM310828;C=CCC(=NN=C)C(=O)O;RWXMKBUZWKNZIH-UHFFFAOYSA-N;140.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310829;MM310829;C=CC(C)(C=CCC)CF;RVSGHQONJRUEJX-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310830;MM310830;CCC=CC(C)(C=O)CF;SSWGTXFAVZZHKL-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310831;MM310831;CNN=c1nc(N)n(C)o1;RSBFBUSEMBJAHR-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310832;MM310832;C=CC(N)(C=CCC)CC;JDDZLVICGONDPY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310833;MM310833;N#CC(O)(C=O)C=NO;SPDMGJFFVRGYSA-UHFFFAOYSA-N;128.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310834;MM310834;C=CC(N)(C=CCO)CC;VLTMZMGHBSVNHE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310835;MM310835;COC=CCC(C)C(N)=O;NZDNFEWZAPESTJ-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310836;MM310836;C=CC(N)(C=CCF)CC;DVLGIUKQUFUJBG-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310837;MM310837;CNN=c1nc(N)n(N)o1;HACHCJIOGAXAOE-UHFFFAOYSA-N;144.14;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310838;MM310838;C=CC(N)(C=CCC)CN;KEEUAJCRXVNYPD-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310839;MM310839;COn1c(=O)cn[nH]c1=N;MATPSDAJARKQJH-UHFFFAOYSA-N;142.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310840;MM310840;C=CC(N)(C=CCN)CN;ZHMWBIKFQSMFAC-UHFFFAOYSA-N;141.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310841;MM310841;Cc1c[nH]nnc(=N)c1=N;ISFLASBPKKHYMH-UHFFFAOYSA-N;137.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310842;MM310842;C=CC(N)(C=CCO)CN;LWCMQKBRGVAVQY-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310843;MM310843;CON=c1nc(C)n(C)o1;QQJCMCXTKSAIQT-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310844;MM310844;C=CC(N)(C=CCC)CO;LDQPJYGJAUATLI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310845;MM310845;C=CC=C1C=C(C)C(C)C1;VZKDXXDKLUMESZ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310846;MM310846;C=CC(N)(C=CCN)CO;AEIUJNVXWSFSNH-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310847;MM310847;CC1=CC(=CC=O)CC1C;GXRZANXQACYFKF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310848;MM310848;CC(C)CCCCCO;BWDBEAQIHAEVLV-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310849;MM310849;CC1=CC(=CC#N)CC1C;ARQMZULZLUPZFF-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310850;MM310850;C=CC(O)(C=CCN)CC;BLDNQQWSLDXDNZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310851;MM310851;C=CC=C1C=C(F)C(C)C1;ATEVHAVYUJHLDX-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310852;MM310852;C=CC(O)(C=CCO)CC;AAWILDOXWMASSL-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310853;MM310853;CC1CC(=CC=O)C=C1F;ZJCDCPZENFRFCP-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310854;MM310854;C=CC(O)(C=CCF)CC;DMGCUEWPNIHHDV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310855;MM310855;CC1CC(=CC#N)C=C1F;RALVYUKZSIIAAI-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310856;MM310856;CCC=CC(O)(C=O)CC;DPDDYOQRWAZNSG-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310857;MM310857;C=CC(O)(C=CCC)CN;IUJSVWYWVGJAAJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310858;MM310858;C=CC=C1C=C(C)C(N)C1;RIAWICXNJAQVOS-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310859;MM310859;C=CC(O)(C=CCO)CN;HTLGFDQSXKPKSA-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310860;MM310860;CNN=CCC(=O)C(C)C;UVIFTXYYSIYQAQ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310861;MM310861;O=CC(O)(C=CCO)CO;GJQGHKCTTJHLQN-UHFFFAOYSA-N;146.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310862;MM310862;N=C(NN=CC=O)C(F)F;KAOLYZFWXMSJFN-UHFFFAOYSA-N;149.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310863;MM310863;N#CC(O)(C=CCO)CO;HRGLLSAEHYOKFK-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310864;MM310864;C=CC=C1C=C(F)C(O)C1;VRFWQXLDKCJZOD-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310865;MM310865;C=CC(O)(C=CCF)CF;KVDHWDFYIQAVMF-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310866;MM310866;N#CC=C1C=C(F)C(O)C1;XAOWIXBZJWWGQE-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310867;MM310867;O=CC(O)(C=CCO)CF;HFQQGNUKXXIRAW-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310868;MM310868;CC1=CC(=CC#N)CC1F;PFSJTVWPVKGEBS-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310869;MM310869;N#CC(O)(C=CCO)CF;GSQOURSLMPKIQX-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310870;MM310870;CC(=O)N(C)N=CCC=O;GBVSICOQDGIYIM-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310871;MM310871;C=CC(F)(C=CCC)CC;OQXGLPHDCYYGEH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310872;MM310872;C=CC(C)CCC(=O)NC;DGGYWYIBKNMCQH-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310873;MM310873;C=CC(F)(C=CCN)CC;KNCOWMPSABRHQW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310874;MM310874;Cc1cc(C=CO)[nH]c1C;JPEXFDNAWMLQMA-UHFFFAOYSA-N;137.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310875;MM310875;CCC=CC(F)(C=O)CC;WBQKIWPAFSXGKK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310876;MM310876;CC1N=C(NC=N)C=C1N;XESAEWBWTOEIJD-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310877;MM310877;C=CC(F)(C=CCN)CO;MXIJAVFSSFAXJX-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310878;MM310878;CC1N=C(NC=N)C=C1F;DELZZFKVFYAWKH-UHFFFAOYSA-N;141.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310879;MM310879;C=CC(F)(C=CCF)CO;RETZOORUBNELBV-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310880;MM310880;C=C(CC)CCC(=O)NC;QGTKRWOGDHLFON-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310881;MM310881;C=CC=C1C=C(C)C(C)O1;JZVASKSRPBEKRH-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310882;MM310882;O=CC(F)(C=CCO)CO;FODMTDVGGQULBS-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310883;MM310883;C=NN=c1cc(C)n(C)o1;HOTVIABHTABOOV-UHFFFAOYSA-N;139.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310884;MM310884;N#CC(F)(C=CCO)CO;WMEKQNVTYWKTCX-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310885;MM310885;C=NN=c1cc(N)n(C)o1;SNBWPZRIPOPMCG-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310886;MM310886;C=CC(C)(C=COC)CC;AJBFPMGUQUUUFP-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310887;MM310887;C=NN=c1cc(F)n(C)o1;HIPPBWFHDNBHCI-UHFFFAOYSA-N;143.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310888;MM310888;CCC(C)(C=O)C=COC;NMWBAAZUGSZOKT-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310889;MM310889;C=NN=c1cc(C)n(N)o1;PTNUWZWDYSTNOG-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310890;MM310890;CCC(C)(C#N)C=COC;KVTNOCFAYWOBNX-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310891;MM310891;C=NN=c1cc(N)n(N)o1;FDXCFOLCIBNFAE-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310892;MM310892;C=CC(C)(C=COC)CN;NASUTNULNUZGFK-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310893;MM310893;C=NN=c1cc(F)n(N)o1;BXHXBRNUTMPYKM-UHFFFAOYSA-N;144.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310894;MM310894;C=CC(C)(C=COC)CO;WNUQUJFUANTZKA-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310895;MM310895;C=NN=c1cc(C)n(O)o1;AVKCTPDJMWANFG-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310896;MM310896;COC=CC(C)(C#N)CF;BVMCEJZLCYOKAS-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310897;MM310897;C=NN=c1cc(N)n(O)o1;KJKGZMTUMCYUPX-UHFFFAOYSA-N;142.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310898;MM310898;C=CC(N)(C=COC)CC;BWAVAXBUCRNJEP-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310899;MM310899;C=NN=c1cc(F)n(O)o1;RCTLCCUVUDRXGQ-UHFFFAOYSA-N;145.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310900;MM310900;COC=CC(O)(C=O)CO;WISNHVCDEDAWCB-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310901;MM310901;Cc1nc(=NC=N)on1C;FCYDSXIQGMHYFG-UHFFFAOYSA-N;140.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310902;MM310902;COC=CC(O)(C=O)CF;WSHJSQFTJQQUPE-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310903;MM310903;CCn1nc(O)n(N)c1=O;LAUYWCXPIWODAJ-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310904;MM310904;COC=CC(O)(C#N)CF;XOGSIIRIOARPBE-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310905;MM310905;Cc1nc(=NC=N)on1N;SDWIACKCMIGWNW-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310906;MM310906;C=CC(F)(C=COC)CO;RXLYLXFSVDKHEC-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310907;MM310907;N=CN=c1nc(N)n(N)o1;QIWREKVCTBLMLA-UHFFFAOYSA-N;142.12;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310908;MM310908;COC=CC(F)(C=O)CO;KQSGBVLPPABPDZ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310909;MM310909;ON=c1nn[nH][nH]1;OZMNGHKEQSEUOR-UHFFFAOYSA-N;101.07;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310910;MM310910;C=CC(C)(C=CCC)NC;XOUVNHWQONQION-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310911;MM310911;CC=C(C)CCC(=O)NC;GBEBLKMEOCAHCY-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310912;MM310912;C=CC(C)(C=CCO)NC;HUNRBSJOXHPMIK-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310913;MM310913;CC(C)(OC=NN)C(=O)O;YIPMAPPMJNGFNO-UHFFFAOYSA-N;146.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310914;MM310914;NN=c1nc(O)on1O;WEULVIUEVPWLHR-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310915;MM310915;C=CC(C)(C=CCF)NC;VEIRFGQTPUNFBO-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310916;MM310916;C=NN=c1nc(C)n(N)o1;MQAQWTSHLAZFJR-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310917;MM310917;CCC=CC(C)(C#N)NC;QBJYHRVOLQAOLP-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310918;MM310918;CN(C)C(CC(=O)O)=NO;ACDTUPQMYHAWNQ-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310919;MM310919;C=CC(C)(C=COC)NC;JUWIZABPALUFQV-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310920;MM310920;CCC(CC)CNC(C)=O;IYFDOKKLCQKYLE-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310921;MM310921;CNC(C)(C#N)C=COC;CEJZZYMELFHZPX-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310922;MM310922;C#CC(C=CC(N)=O)CC;RJKYNQVNTOJWMM-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310923;MM310923;C=CC(C)(C=CCC)OC;CQEKFTBRZBSILQ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310924;MM310924;O=c1oc(O)c(C2CN2)o1;AHHQYDIDGWABCR-UHFFFAOYSA-N;143.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310925;MM310925;COC(C)(C=O)C=CCO;MROXLODWIMWFDL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310926;MM310926;C#CC=C1C=C(C)C(C)C1;YEOQCTZXOHGKHX-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310927;MM310927;COC(C)(C#N)C=CCF;VNUSKEPOVOEAQN-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310928;MM310928;C#CC=C1C=C(F)C(C)C1;VQFVLMDVPHHUDZ-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310929;MM310929;C=CC(C)(C=COC)OC;JTUSKDAVWWHJAR-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310930;MM310930;C#CC=C1C=C(C)C(N)C1;YDMRRHDJYPEDRS-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310931;MM310931;COC=CC(C)(C=O)OC;ONNYNEIXLRLSLW-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310932;MM310932;C=CCCCCC(=O)NC;UHFJOKVEZQLUKG-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310933;MM310933;COC=CC(C)(C#N)OC;LWAHAKFUUOPSHP-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310934;MM310934;C#CC=C1C=C(F)C(O)C1;QQOCXFFSCFSOGL-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310935;MM310935;C=CC(C)(C=NNC)CC;MKDODTYVIRWBHS-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310936;MM310936;C#CC=C1C=C(C)C(F)C1;JOATUYPICAJAMH-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310937;MM310937;C=CC(C)(C=NNC)CF;YXDILWXVUBNTSS-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310938;MM310938;C#CC=C1C=C(C)C(C)O1;YGDVIGXXAIITSI-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310939;MM310939;C=C(C)CCCCCO;AYZDUQJSEYAYTG-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310940;MM310940;C#CC=C1C=C(F)C(C)O1;UDYXMVAZFMQAKC-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310941;MM310941;C=CC=CC=CC(N)=O;RDRXKIQDFFGAQA-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310942;MM310942;CCCC(C)CNC=O;MKDCWEIEHLELKS-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310943;MM310943;C=C1CC(=CCC)C=C1C;UCVZIJPOSPFADV-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310944;MM310944;CNN=CC(O)(C=O)CF;PLVAVFGDHKSOPD-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310945;MM310945;C=C1CC(=CCN)C=C1C;YHALCUSZENFKIN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310946;MM310946;CNN=CC(O)(C#N)CF;JOVZLRDSNCHNDM-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310947;MM310947;C=C1CC(=CCC)C=C1F;BXGCIYZGZQZMHI-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310948;MM310948;C=CC(C)(C=NOC)CC;VVSTVFHAOZKTND-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310949;MM310949;C=C1CC(=CCN)C=C1F;SJQYPSSYJOVESJ-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310950;MM310950;CCC(C)(C=O)C=NOC;JYWCGQPFQSYHFE-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310951;MM310951;CCC=C1C=C(C)C(=O)C1;GICMDLSZFJIJKL-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310952;MM310952;CCC(C)(C#N)C=NOC;FPDAKAKUSBZSMN-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310953;MM310953;CCC=C1C=C(F)C(=O)C1;OXUAHRLCKFSAJX-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310954;MM310954;C=CC(C)(C=NOC)CN;HCXGPVGLMPHYIG-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310955;MM310955;C=c1oc(=CCC)cc1C;AVZZCRDGAXSODT-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310956;MM310956;CC(C)C(C)CNC=O;UNLMQBXDIAEOAI-UHFFFAOYSA-N;129.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310957;MM310957;C=c1oc(=CCN)cc1C;CDARMKBUOFMKBI-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310958;MM310958;CCC(C)CCCCO;KFARNLMRENFOHE-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310959;MM310959;C=c1oc(=CCO)cc1C;MXOLMXPSWVYUIZ-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310960;MM310960;CC(CO)CCCCO;DYHGIZFXHVQIEA-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310961;MM310961;C=c1oc(=CCC)cc1F;RSEUCOXPHZHVHR-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310962;MM310962;CON=CC(O)(C=O)CO;RLLRTXXZCIIDCC-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310963;MM310963;C=c1oc(=CCN)cc1F;RCWFRCIXFGRNMQ-UHFFFAOYSA-N;141.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310964;MM310964;CON=CC(O)(C#N)CO;ZRKPGASGPICJNC-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310965;MM310965;C=c1oc(=CCO)cc1F;RSDCZNUIAWXPCU-UHFFFAOYSA-N;142.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310966;MM310966;CON=CC(O)(C#N)CF;MQVCLGCAMQODNC-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310967;MM310967;C=c1oc(=CCF)cc1F;FLGMLTORBWHRFC-UHFFFAOYSA-N;144.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310968;MM310968;CC(CF)CCCCO;NWVIVQFKHCUQLO-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310969;MM310969;C=c1oc(=COC)cc1C;RLZRSIIJIGRXLU-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310970;MM310970;C=CC(C)(C=NNC)OC;XYCBHFLHAWLHQE-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310971;MM310971;C=c1oc(=COC)cc1F;QUHGAHBFPMMKBW-UHFFFAOYSA-N;142.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310972;MM310972;C=CC(C)(C=NOC)OC;ASJHWVBEHOFUHK-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310973;MM310973;C=CC=C1C=C(C)C(=C)C1;KAVZOZQMXPKMQA-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310974;MM310974;C=CC=CC(C)(C=C)CC;PYTXRYOMSSEXKB-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310975;MM310975;C=C1CC(=CC=O)C=C1C;NLWJRTQWWCXHSJ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310976;MM310976;C=CC(C)(C=CC=O)CC;GECYBNXTHKSBRI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310977;MM310977;C=C1CC(=CC#N)C=C1C;DIUUZVPUHDZOHK-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310978;MM310978;C=CC(C)(C=CC#N)CC;YDAAMOHOWQNMCI-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310979;MM310979;C=CC=C1C=C(F)C(=C)C1;BIWZCTGTONKOJW-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310980;MM310980;C=CC=CC(C)(C#N)CC;VEILIPMNQUSPBE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310981;MM310981;C=C1CC(=CC=O)C=C1F;DMQHPKCMLWIRAN-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310982;MM310982;CCC(C)(C=O)C=CC=O;PDPPILDGHMQKIX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310983;MM310983;C=C1CC(=CC#N)C=C1F;VFWCRFYSJKAZJZ-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310984;MM310984;CCC(C)(C#N)C=CC=O;VUMJBAYJTKJWMJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310985;MM310985;C=CC=C1C=C(C)C(=O)C1;HURFCHRANRQGGN-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310986;MM310986;C=CC=CC(C)(C=C)CN;DIBJYLDIQMLHFK-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310987;MM310987;CC1=CC(=CC#N)CC1=O;VZCBNBHZOVLCLI-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310988;MM310988;CCC(O)CCCCO;NNYOSLMHXUVJJH-UHFFFAOYSA-N;132.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310989;MM310989;C=CC=C1C=C(F)C(=O)C1;SNLKOKDSDLFBOV-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310990;MM310990;C=CC=CC(C)(C#N)CO;XITDLIFSVAIKLM-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310991;MM310991;N#CC=C1C=C(F)C(=O)C1;VNGBEXZTORUZKN-UHFFFAOYSA-N;137.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310992;MM310992;CC(C#N)(C=CC#N)CO;SQYYBXVAHPSCQQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310993;MM310993;C=NNC1=CC(=N)C(=O)C1;CCSHSGYVKRZXCT-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310994;MM310994;C=CC(C)(C=CC=O)CF;LGXOGHNQFISGQT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310995;MM310995;CC1=CC(=CC=O)N=C1N;OBBYMIGGINCEHH-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310996;MM310996;C=CC=CC(C)(C=O)CF;YLAFLQVQYYOKIN-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310997;MM310997;CC1=CC(=CC#N)NC1=N;KUUGGPMXQVGJSB-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310998;MM310998;CC(C=O)(C=CC=O)CF;LWPPXYNOLIIBMT-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM310999;MM310999;C=CC=C1C=C(F)C(=N)N1;WVFYPXCOBXQEEM-UHFFFAOYSA-N;138.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311000;MM311000;CC(C#N)(C=CC=O)CF;PWDVPXSCQKWRLC-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311001;MM311001;CC=CCCCC(=O)NC;HRVSANJQSHRRRH-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311002;MM311002;C=CC=CC(N)(C=C)CC;LJVOHEKTQLLGMT-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311003;MM311003;CC1=CC(=CC#N)NC1=O;YZHGBVLXYLHITB-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311004;MM311004;C=CC=CC(N)(C=C)CN;CXHGQRCXRDTRNB-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311005;MM311005;N#CC=C1C=C(F)C(=O)N1;PXFYFCZEDBBNRH-UHFFFAOYSA-N;138.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311006;MM311006;C=CC(O)(C=CC=O)CC;UDAKQJPGFXGVAE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311007;MM311007;C=CC=c1cc(C)c(=C)o1;PWJPXGPDEVEYHB-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311008;MM311008;C=CC(O)(C=CC#N)CC;SXPMXHVTSQWAMK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311009;MM311009;C=CC=CC(O)(C=O)CC;NKLGNGIAPSIVDS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311010;MM311010;C=c1oc(=CC=O)cc1C;BQAIIBDNDRSROQ-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311011;MM311011;O=CC=CC(O)(C=O)CO;QGXNWUQMWDARNR-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311012;MM311012;C=c1oc(=CC#N)cc1C;MCDQBOCYPNMSLV-UHFFFAOYSA-N;133.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311013;MM311013;N#CC=CC(O)(C#N)CO;XXXXBMUMZFYBKB-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311014;MM311014;C=CC=c1cc(F)c(=C)o1;KBDRJNONSSZCKW-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311015;MM311015;C=CC=CC(O)(C=C)CF;BZLOYBVEHFDFIP-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311016;MM311016;C=c1oc(=CC=O)cc1F;PDXGQRTVUNJCDN-UHFFFAOYSA-N;140.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311017;MM311017;C=CC(O)(C=CC=O)CF;WQYFRCYNNIHENJ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311018;MM311018;C=c1oc(=CC#N)cc1F;UJAIQVXYWAJQPR-UHFFFAOYSA-N;137.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311019;MM311019;N#CC(O)(C=CC=O)CF;CHBLJFLOYIYCSP-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311020;MM311020;C=c1oc(=CC#N)nc1C;IODNNFPLRLVGCS-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311021;MM311021;N#CC=CC(O)(C=O)CF;DARIVNDHJSUZOB-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311022;MM311022;C#CC=C1C=C(C)C(=C)C1;FAVSSLCKQDZOPO-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311023;MM311023;CCC(F)(C#N)C=CC=O;FOQJXCRNYJDCQW-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311024;MM311024;C#CC=C1C=C(F)C(=C)C1;CFTSFRSJFCPJDK-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311025;MM311025;CCC(F)(C#N)C=CC#N;KJESNAAYVUOXAX-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311026;MM311026;C#CC=C1C=C(C)C(=O)C1;GLFGNTLSAXQMPT-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311027;MM311027;C=CC(F)(C=CC=O)CO;UZIJENCLHGQLFZ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311028;MM311028;C#CC=C1C=C(F)C(=O)C1;CHICRASPRPYQJL-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311029;MM311029;C=CC(F)(C=CC#N)CO;UZJWXAFZVRPMPF-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311030;MM311030;C#CC=C1C=C(C)C(=N)N1;YAUGGQYGESLBFX-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311031;MM311031;N#CC=CC(F)(C=O)CO;OMBNHUIGGYPRKS-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311032;MM311032;C=CC(C)(C=CC=O)NC;JHOWSMWXBZULGR-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311033;MM311033;C#CC=C1C=C(F)C(=N)N1;AXNTZIDGRKUXPT-UHFFFAOYSA-N;136.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311034;MM311034;C=CC=CC(C)(C#N)OC;ZSNDOTOXORZIIR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311035;MM311035;C#CC=C1C=C(C)C(=O)N1;JOSIMAZOYGENTI-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311036;MM311036;COC(C)(C=O)C=CC=O;BIJKGSVSOIWICP-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311037;MM311037;C#CC=c1cc(C)c(=C)o1;NUQJYVMWOBRHQA-UHFFFAOYSA-N;132.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311038;MM311038;COC(C)(C#N)C=CC=O;YVFSBHZFSWPABM-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311039;MM311039;C#CC=c1cc(F)c(=C)o1;JVMIDFIXYFTLTG-UHFFFAOYSA-N;136.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311040;MM311040;C=CC(C)(C=NN=C)CC;UIQSFZHXRHWONE-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311041;MM311041;C#CC=C1C=C(C)C(=O)O1;KFUIBUAZSHSROJ-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311042;MM311042;C=NN=CC(C)(C#N)CC;BYHSHTQHRVXACI-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311043;MM311043;C#CC=C1C=C(F)C(=O)O1;JJXQHKYKRXUCTJ-UHFFFAOYSA-N;138.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311044;MM311044;C=CC(C)(C=NN=C)CN;KVYFAMWWFSTPBA-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311045;MM311045;CCCC1=CC(C)C(C)C1;FOGGXKSHTPFOHI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311046;MM311046;C=CC(O)(C=NN=C)CC;SLIYRUYQIDJEML-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311047;MM311047;CC1C=C(CCN)CC1C;QREVEAFRGZEDSA-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311048;MM311048;C=CC(O)(C=NN=C)CO;TXQNUYWQURRKCH-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311049;MM311049;CCCC1=CC(N)C(C)C1;KDWTYGBXKSLKAT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311050;MM311050;C=CC(F)(C=NN=C)CC;OCGPDJTYHYAPIS-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311051;MM311051;CC1CC(CCN)=CC1N;HQFWZLWDRMXSFN-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311052;MM311052;C=CC(F)(C=NN=C)CN;IPEMMCYTFOZOCQ-UHFFFAOYSA-N;143.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311053;MM311053;CCC=CCCC(=O)NC;XKMSNLNOJXTEAY-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311054;MM311054;C=CC(F)(C=NN=C)CO;ZDDZULBOFWNWFS-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311055;MM311055;CCCC1=CC(F)C(C)C1;VYWMWRZRZRBXHN-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311056;MM311056;C=NN=CC(C)(C#N)NC;WPVKVUJLCGCZHX-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311057;MM311057;CCCC1=CC(C)C(N)C1;DJPSKIXQGZTCQT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311058;MM311058;C=CC(C)(C=NN=C)OC;YMXQHVQCMJNHJR-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311059;MM311059;CCCC1=CC(N)C(N)C1;UIHDOOPMERYDOY-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311060;MM311060;C=NN=CC(C)(C=O)OC;IBCKFEZAXOGOSK-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311061;MM311061;NCCC1=CC(N)C(N)C1;VPAVFNROCWZQGV-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311062;MM311062;C=NN=CC(C)(C#N)OC;ROGKGSLEVBIABQ-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311063;MM311063;CCCC1=CC(O)C(N)C1;RVSSEDVRKIWKGD-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311064;MM311064;C#CC=CC(C)(C=C)CC;ZBVDFHBDHBCQQH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311065;MM311065;NCCC1=CC(O)C(N)C1;HLKPVTANRHZWCQ-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311066;MM311066;C#CC=CC(C)(C#N)CC;JFCWNDXQWSWTOK-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311067;MM311067;CCCC1=CC(F)C(N)C1;OQBFFDGKSSHCGB-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311068;MM311068;C#CC=CC(C)(C#N)CF;OBXFOKPHQJEIMU-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311069;MM311069;CCC1(C)CC1CNC=O;PZPFJEDPFBXAOM-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311070;MM311070;C#CC=CC(N)(C=C)CC;KRLQCYYVZBQJRS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311071;MM311071;CCCC1=CC(N)C(O)C1;LZHVXQCXANQUCY-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311072;MM311072;C#CC=CC(O)(C#N)CC;OFQOAEDHJDTZBA-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311073;MM311073;CCCC1=CC(O)C(O)C1;AXIQJIWPYKOBBS-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311074;MM311074;C#CC=CC(O)(C=C)CO;PGJLXAVSGLYIRC-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311075;MM311075;CCCC1=CC(C)C(F)C1;UESKMOYJCLSWEV-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311076;MM311076;C#CC=CC(O)(C=C)CF;XZAUPKDBROZTGK-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311077;MM311077;CCCC1=CC(N)C(F)C1;AEXDIODPFKFJIW-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311078;MM311078;C#CC=CC(F)(C#N)CO;DEJDMJAZKSUCRU-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311079;MM311079;CCCC1=CC(O)C(F)C1;TWYFNQYXWBMSNV-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311080;MM311080;C#CC=CC(C)(C=C)NC;BKGIQNUTODRYBP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311081;MM311081;CCCC1=NN(C)C(C)C1;LEHICFAQJOHAEF-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311082;MM311082;C#CC=CC(C)(C#N)NC;JGCSVFMJFJHBCR-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311083;MM311083;CCCC1=CC(C)N(C)C1;RTZIUTUSHFHARK-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311084;MM311084;C#CC=CC(C)(C=O)OC;NCMZZDQFCFFQOP-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311085;MM311085;C=CCC1=CC(C)C(C)C1;DSXLNGCROHQJPV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311086;MM311086;C#CC=CC(C)(C#N)OC;PNVSFQDWYNAUQE-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311087;MM311087;CC1C=C(CC#N)CC1C;GVGMJHFZEDBSFC-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311088;MM311088;C#CC(C)(C=CCC)CC;CLIIKPMLIAWPSH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311089;MM311089;C=CCC1=CC(N)C(C)C1;ISGYENSRILPUKI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311090;MM311090;C#CC(C)(C=CCN)CC;ZNCXQWBPNDREQU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311091;MM311091;CC(N)=C(C#N)OCC=O;PPGYDUASPGUUAW-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311092;MM311092;C#CC(C)(C=CCO)CC;NUKJCSCTOVQMGE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311093;MM311093;CCN(C=O)N=CCC=O;HEDBCIDPJASLMD-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311094;MM311094;C#CC(C)(C=CCF)CC;JCINJJVCVYKPKX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311095;MM311095;C=CCC1=CC(F)C(C)C1;NNQDURJCZPWSDZ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311096;MM311096;C#CC(C)(C=CCC)CN;NHLUTGQFJGUQDV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311097;MM311097;CC1CC(CC#N)=CC1F;MPLIZHCFJYQOBJ-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311098;MM311098;C#CC(C)(C=CCN)CN;CIYZOEXTUTYPMX-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311099;MM311099;C=CCC1=CC(C)C(N)C1;JJOPILBFAWOJLH-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311100;MM311100;C#CC(C)(C=CCF)CN;YIHBLVBLCPMAPN-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311101;MM311101;C=CCC1=CC(N)C(N)C1;IHRKQTGVQICGRV-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311102;MM311102;C#CC(C)(C=CCN)CO;XRQQVXZJHVSYAD-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311103;MM311103;C=CCC1=CC(O)C(N)C1;ZZZAFMJTVKDZCH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311104;MM311104;CCC(F)CCCCO;HIEMPRHJVFWSFC-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311105;MM311105;C=CCC1=CC(F)C(N)C1;KCLBXOISIGZSOC-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311106;MM311106;C#CC(N)(C=CCC)CC;YSBLSBDDBLZXIX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311107;MM311107;C=CCC1=NOC(C=O)C1;FXOZTLQVVHHNQV-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311108;MM311108;C#CC(N)(C=CCF)CC;QDULMBJYOFUCKY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311109;MM311109;C=CN=C1CN=C(C=O)N1;XFVJXXICXKFHBT-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311110;MM311110;C#CC(N)(C=CCN)CN;YTRGWGGCBNPGFQ-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311111;MM311111;C=CCC1=CC(N)C(O)C1;UKDMMHDWFNQREF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311112;MM311112;C#CC(N)(C=CCO)CN;IHBUPVVCCPZYPR-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311113;MM311113;C=CCC1=CC(O)C(O)C1;KOTVJOPZUJQTTI-UHFFFAOYSA-N;140.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311114;MM311114;C#CC(N)(C=CCN)CO;XIHGCARLTOWRKC-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311115;MM311115;N#CCC1=CC(O)C(O)C1;BPQZSFSNGCPWKU-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311116;MM311116;C#CC(O)(C=CCF)CC;UCPGQJMJKIPVNS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311117;MM311117;C=CCC1=CC(F)C(O)C1;RVLQOHKKGVMHRT-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311118;MM311118;C#CC(F)(C=CCC)CC;MCKLOVPOKMPKMU-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311119;MM311119;C=CCC1=CC(C)C(F)C1;CMRNZXVMZOWUDN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311120;MM311120;C#CC(F)(C=CCF)CC;YVWBLOHXIFBVFZ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311121;MM311121;CC1C=C(CC#N)CC1F;QFKWMSCLMYDODJ-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311122;MM311122;C#CC(C)(C=COC)CC;QFPAGHTXZZTHSH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311123;MM311123;CC1CC(NC=N)=CC1F;LEZOELUGJOVUGI-UHFFFAOYSA-N;142.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311124;MM311124;C#CC(C)(C=COC)CN;SLAQIUHQQDAWPA-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311125;MM311125;CC1C=C(NC=N)CC1F;KNSLPQABHDDYSV-UHFFFAOYSA-N;142.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311126;MM311126;C#CC(C)(C=COC)CO;MVCKXPZCWIFGID-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311127;MM311127;C=CCC1=NC(C)C(C)N1;IWZLLDMZFIDSEU-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311128;MM311128;C#CC(C)(C=COC)CF;DBKJFSVVZIIGQA-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311129;MM311129;C=CCC1=CC(C)C(C)O1;RKZMRIZNDUIEPL-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311130;MM311130;C#CC(N)(C=COC)CC;RAAYZZZQZZPQHH-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311131;MM311131;CC1C=C(CC#N)OC1C;CZRYZOLGSYUOIF-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311132;MM311132;C#CC(N)(C=COC)CN;TYWXQIBADWCTTG-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311133;MM311133;C=CCC1=CC(N)C(C)O1;BOQDGMBGZYPHQL-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311134;MM311134;C#CC(O)(C=COC)CC;XYEIKVSJGZTOSV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311135;MM311135;CC1OC(CC#N)=CC1O;ZIOBRKAECILKFD-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311136;MM311136;C#CC(F)(C=COC)CC;GSUSBAZNRNVHFU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311137;MM311137;CC1OC(CC#N)=CC1F;CKJMBZFGICRPTM-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311138;MM311138;C#CC(C)(C=CCC)NC;IVUMMWKVMWAOHX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311139;MM311139;C=CCC1=NN(C)C(C)C1;UFWHDOJZYISRTM-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311140;MM311140;C#CC(C)(C=CCC)OC;HWWIQNJOHIYEGN-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311141;MM311141;CC1CC(CC#N)=NN1C;DEUMTZPNQJOSPL-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311142;MM311142;C#CC(C)(C=CCO)OC;KGVKQYGACZOQIM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311143;MM311143;C=CCC1=CC(C)N(C)C1;JGKPDHFWEPMAKM-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311144;MM311144;C#CC(C)(C=CCF)OC;JNFSAWUZPSCFLM-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311145;MM311145;CC1C=C(NC=N)CN1C;LKOZZPGPFNJGOA-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311146;MM311146;C#CC(C)(C=COC)OC;BGYZKABKLGDNRH-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311147;MM311147;C#CCC1=CC(C)C(C)C1;OZOOLFVRKDMJES-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311148;MM311148;C#CC(C)(C=NNC)CC;CEGQOPVNQHTPPR-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311149;MM311149;C#CCC1=CC(N)C(C)C1;FLURPAZMEDNMOM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311150;MM311150;C#CC(C)(C=NNC)CN;YVYZCDUQYOCFCU-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311151;MM311151;CC(=CN)C(N)=O;ORNUOWIMOGXIBR-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311152;MM311152;OCCCCC(F)CF;OXLNITWQGGCHMB-UHFFFAOYSA-N;138.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311153;MM311153;C#CCC1=CC(F)C(C)C1;ZIOJEGZNBIMIGF-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311154;MM311154;C#CC(C)(C=NNC)CF;NNFFPZLPDXHHNR-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311155;MM311155;C#CCC1=CC(C)C(N)C1;MHYWEAQQHOXPMH-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311156;MM311156;C#CC(N)(C=NNC)CN;FHKZDBJMMTYGKX-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311157;MM311157;C#CCC1=CC(N)C(N)C1;RDMXKTBGRMNDDE-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311158;MM311158;C#CC(O)(C=NNC)CN;JNIDDQFMZCKYJK-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311159;MM311159;C#CCC1=CC(O)C(N)C1;ALEVMZWJHIJWKH-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311160;MM311160;C#CC(O)(C=NNC)CF;HCZFEXBPVFDUNI-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311161;MM311161;C=CCCNC=O;MQTJERIANILHJE-UHFFFAOYSA-N;99.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311162;MM311162;C=CC(C)CCCCO;ACVHBJQXYLVYOW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311163;MM311163;C#CCC1=CC(N)C(O)C1;PVDGAPTWEVKRKW-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311164;MM311164;C#CC(C)(C=NOC)CC;IPMNJQUBWILUAL-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311165;MM311165;C#CCC1=CC(O)C(O)C1;JFQBOASUSNGORW-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311166;MM311166;C#CC(C)(C=NOC)CF;MCGXIPUICVUNNG-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311167;MM311167;C#CCC1=CC(F)C(O)C1;XFPKRYLQYWREIO-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311168;MM311168;C#CC(N)(C=NOC)CN;JKFBKZWJDHBIFA-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311169;MM311169;C#CCC1=CC(C)C(F)C1;KFICLXUZEOZBPS-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311170;MM311170;C#CC(O)(C=NOC)CN;VZCBWNARDJGWLD-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311171;MM311171;C#CCC1=CC(N)C(F)C1;ZXYBSFDOITWIAK-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311172;MM311172;C#CC(O)(C=NOC)CO;PCCFLOKDVJACAH-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311173;MM311173;C#CCC1=CC(O)C(F)C1;WRAPHABZYOGSDN-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311174;MM311174;C#CC(C)(C=NOC)OC;MIDGEKQDEMDLLC-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311175;MM311175;C#CCC1=NC(C)C(C)N1;WIQLVLLVCVVGJV-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311176;MM311176;C#CC(C)(C=CC=C)CC;XRXQIKFHUWQENM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311177;MM311177;C#CCC1=CC(C)C(C)O1;SWQLKNXGFGVAIT-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311178;MM311178;C#CC(C)(C=CC=O)CC;VADUNKAJLNYFBM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311179;MM311179;C#CCC1=CC(N)C(C)O1;JSDSLUCDBASINV-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311180;MM311180;C#CC(C)(C=CC#N)CC;MQDIFSMLGUZYMB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311181;MM311181;C#CCC1=CC(O)C(C)O1;DBNPRRICJHXBDT-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311182;MM311182;C#CC(C)(C=CC=C)CN;WGYNSCFZJLFXJE-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311183;MM311183;C#CCC1=CC(F)C(C)O1;GNZNDUFXKTUSSN-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311184;MM311184;C#CC(C)(C=CC#N)CF;CZJVFGYIEYRESF-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311185;MM311185;C#CCC1=NN(C)C(C)C1;WKZLTLDEVRKZDD-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311186;MM311186;C#CC(N)(C=CC=C)CC;ZBAADUHALLSITF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311187;MM311187;C#CCC1=CC(C)N(C)C1;QFJSBKLRMMGZNA-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311188;MM311188;C#CC(O)(C=CC=C)CC;LORXUULUYLOJIF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311189;MM311189;C=C1C=C(CCC)CC1C;UKKCCDDWQPNOMD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311190;MM311190;C#CC(O)(C=CC=C)CO;GGPSJNJNVXSWCI-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311191;MM311191;C=C1C=C(CCN)CC1C;PZZWCMBEQNJBEP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311192;MM311192;C#CC(O)(C=CC#N)CF;STWMMFQLQCHHFU-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311193;MM311193;CCCC1=CC(=O)C(C)C1;MAUAUEXWIGADOP-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311194;MM311194;C#CC(F)(C=CC#N)CO;GPBOQONQALOJTM-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311195;MM311195;C=C1C=C(CCC)CC1N;IAJHYOFWEXXWFO-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311196;MM311196;C#CC(C)(C=CC=C)NC;OGWVBBUEDNHKFV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311197;MM311197;C=C1C=C(CCN)CC1N;CWYAHMDLQOOHML-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311198;MM311198;C#CC(C)(C=CC=C)OC;QWUYMKIWILFHIQ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311199;MM311199;CNC(=O)CC(C)C;GFWZPTGIVKRQNM-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311200;MM311200;C#CC(C)(C=CC=O)OC;RXQPIFKEBMGQRG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311201;MM311201;C=C1C=C(CCN)CC1O;UTVFXWAUTUHWKW-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311202;MM311202;C#CC(C)(C=CC#N)OC;XPJHPEPXIIJOLI-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311203;MM311203;CCCC1=CC(=O)C(O)C1;LHOHRWSZJXCRFH-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311204;MM311204;C#CC(C)(C=NN=C)CC;BNTNLHQMUMTSQD-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311205;MM311205;C#CC(C)(C=NN=C)CO;LPZTUEPSUNAEDE-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311206;MM311206;C=C1C=C(CCC)CC1F;IPNKJSNMEBQGFB-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311207;MM311207;C#CC(N)(C=NN=C)CN;QFWZUOHIHTWMBU-UHFFFAOYSA-N;138.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311208;MM311208;CCCC1=CC(=O)C(F)C1;GHFZZUMZGWWESW-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311209;MM311209;C#CC(N)(C=NN=C)CF;ISGASQYIPCYDQB-UHFFFAOYSA-N;141.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311210;MM311210;C=C1C=C(CNC)CC1C;SLVPPZGPGAHTHW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311211;MM311211;C#CC(O)(C=NN=C)CN;OJTYWIXEDRTBGX-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311212;MM311212;CCNC1=CC(=O)C(C)C1;LSSVCQYSTJAOGP-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311213;MM311213;C#CC(O)(C=NN=C)CF;FZQLPUNPABHKNQ-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311214;MM311214;C=C1C=C(OCC)CC1C;KTRMHSIKGOFYSQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311215;MM311215;C#CC(F)(C=NN=C)CO;RYZQQVYOARHTQD-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311216;MM311216;CCCc1cc(O)c(C)[nH]1;AWVYNUNOZVRHHY-UHFFFAOYSA-N;139.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311217;MM311217;C#CC(C)(C=NN=C)OC;OUESEDWWIVBNHX-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311218;MM311218;CCCC1=CC(=N)N(C)C1;HSJMWPOYTUKBIT-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311219;MM311219;C#CC=CC(C)(C#C)CC;CSURKBOMSGMXPB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311220;MM311220;CN1CC(CCN)=CC1=N;IFJPQAAAPFECFO-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311221;MM311221;C#CC=CC(C)(C#C)CN;GURVDZSVFJLRHT-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311222;MM311222;CCCC1=CC(=O)N(C)C1;ZTADRHHCNCHFKR-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311223;MM311223;CC(C=O)CCCCO;POVAULBJEYDCRZ-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311224;MM311224;CN1CC(CCN)=CC1=O;HCJFWDIDPLFPLS-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311225;MM311225;C#CC=CC(N)(C#C)CC;DHNHBWAJKLOTJH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311226;MM311226;CCCC1=CC(=N)N(N)C1;XMJNYWXKWBKRPJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311227;MM311227;C#CC=CC(O)(C#C)CN;ZCOMCATUUJXPMB-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311228;MM311228;CCCC1=CC(=O)N(N)C1;MEZFUPNARRONKT-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311229;MM311229;C#CC=CC(F)(C#C)CN;RHMMNXLITNSHAB-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311230;MM311230;N=C1C=C(CCN)CN1O;UKGSHDKWSPUYLZ-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311231;MM311231;C#CC=CC(F)(C#C)CO;DPRUCEGFNDISMU-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311232;MM311232;CCCC1=CC(=O)N(O)C1;CNPJRNLITKLBBA-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311233;MM311233;C#CC=CC(C)(C#C)NC;PQMOFQDNPQSUMZ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311234;MM311234;CCCc1cc(=N)n(C)o1;TURDEUHAMULKEW-UHFFFAOYSA-N;140.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311235;MM311235;C#CC=CC(C)(C#C)OC;NKNBUWCVPROKQH-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311236;MM311236;CCCc1cc(=O)n(C)o1;GKHPMVIIPIGINS-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311237;MM311237;C=CC(C)(C=C)C=CCC;ANXXFRSRBPJTHE-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311238;MM311238;CCCc1cc(=O)n(N)o1;HIZWHUXHTQEZIO-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311239;MM311239;C=CC(C)(C=C)C=CCN;IDFIOOGBDGECGI-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311240;MM311240;C=CCC1=CC(=C)C(C)C1;KEVYTBJHHZXEOU-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311241;MM311241;C=CC(C)(C=C)C=CCO;YHSYTDNZACQNCU-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311242;MM311242;C=C1C=C(CC=O)CC1C;CWWHIMKUEUQFEC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311243;MM311243;C=CC(C)(C=C)C=CCF;BDCNZIBHVHXKAC-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311244;MM311244;C=C1C=C(CC#N)CC1C;UQXJQBJIMANLJP-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311245;MM311245;C=CC(C)(C#N)C=CCC;MGIRLNNXKWFFHJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311246;MM311246;C=CCC1=CC(=O)C(C)C1;PPYWMFHCVVDDSB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311247;MM311247;C=CC(C)(C=O)C=CCO;GJMFWUUWRUMLCN-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311248;MM311248;CC1CC(CC=O)=CC1=O;MAWBVURHQSSBTQ-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311249;MM311249;C=CC(C)(C#N)C=CCO;NYANSOILDVVPEC-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311250;MM311250;CC1CC(CC#N)=CC1=O;MYCCSPBQIGLORL-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311251;MM311251;CCC=CC(C)(C=O)C=O;IAOHMWOVOGBLSZ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311252;MM311252;C=CCC1=CC(=C)C(N)C1;QQZUKXCZZYAQFA-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311253;MM311253;CCC=CC(C)(C#N)C#N;XMIXLUJXWSBDSC-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311254;MM311254;N=C1CN=C(C=O)N1;SGTRNRNWVKTBSS-UHFFFAOYSA-N;111.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311255;MM311255;CC(C#N)(C=O)C=CCO;NGIQHMUUYZAGIC-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311256;MM311256;CC(C)C(C)(C)NC=O;VBSIKUBLKAEOHW-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311257;MM311257;CC(C#N)(C=O)C=CCF;WONQVEWEWCGVEC-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311258;MM311258;C=CCC1=CC(=O)C(O)C1;OTFWELFZFWTTNB-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311259;MM311259;C=CC(N)(C=C)C=CCC;JHVMOOUPCKOHTF-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311260;MM311260;O=CCC1=CC(=O)C(O)C1;OVXGWLMJTDKLCP-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311261;MM311261;C=CC(N)(C=C)C=CCO;BVJGMMPKHQHOAR-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311262;MM311262;N#CCC1=CC(=O)C(O)C1;RNUFDRMVEBMTBZ-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311263;MM311263;C=CC(N)(C=C)C=CCF;WTAWAIMXHFWSLK-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311264;MM311264;C=CCC1=CC(=C)C(F)C1;NGKRGOWGAIDYJQ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311265;MM311265;CC(C#N)CCCCO;ZSDBFTFFDQTUGT-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311266;MM311266;C=C1C=C(CC#N)CC1F;GSEYZZWNEIGIPB-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311267;MM311267;C=CC(O)(C=C)C=CCF;UYXDGGVSOTWUDP-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311268;MM311268;C=CCC1=CC(=O)C(F)C1;ICXSJFDZCHTIDK-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311269;MM311269;C=CC(O)(C=O)C=CCO;UPHKNRZWLHBHDM-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311270;MM311270;N#CCC1=CC(=O)C(F)C1;OYZJPQRDHPUBCC-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311271;MM311271;C=CC(O)(C#N)C=CCO;TXJFTCDKHSMTCU-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311272;MM311272;C=C1C=C(NC=N)CC1C;YKNOVFGDLZBWOJ-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311273;MM311273;O=CC(O)(C=O)C=CCO;MJFXSCFRYHCAMQ-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311274;MM311274;C=C1C=C(NC=O)CC1C;ATIWJCMRBSISBA-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311275;MM311275;N#CC(O)(C#N)C=CCO;SXUWLQRTOXGGFN-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311276;MM311276;CC1CC(N=CN)=CC1=O;VQDWFTJWMOVJIP-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311277;MM311277;C=CC(F)(C=C)C=CCC;ULVRALDOMYKGJD-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311278;MM311278;CC1CC(NC=O)=CC1=O;YVRPJEHOSUPEOP-UHFFFAOYSA-N;139.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311279;MM311279;C=CC(F)(C=O)C=CCF;QSRCZDWHGATHTL-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311280;MM311280;C#CCC(C)CC(N)=O;CASKLHGQFAHEHB-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311281;MM311281;O=CC(F)(C=O)C=CCF;LGPYDZRWVWDESD-UHFFFAOYSA-N;148.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311282;MM311282;C=COC1=CC(=C)C(C)C1;ZUAMPFMTDHQDIX-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311283;MM311283;N#CC(F)(C=O)C=CCF;DFGHFGHDLKAIRC-UHFFFAOYSA-N;145.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311284;MM311284;C=CN=C1CC(C)C(=N)N1;UOVXOZMDINBQRZ-UHFFFAOYSA-N;137.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311285;MM311285;C=CC(C)(C=C)C=COC;QXKWHVUAJSTTLM-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311286;MM311286;C=CCc1cc(O)c(C)[nH]1;RGEMLQOMDUOZGE-UHFFFAOYSA-N;137.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311287;MM311287;C=CC(C)(C=O)C=COC;QEYVIASXEGGQBL-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311288;MM311288;Cc1[nH]c(CC#N)cc1O;IHMLRXXWWFZWSM-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311289;MM311289;C=CC(C)(C#N)C=COC;SSZBRGKFAKFQLO-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311290;MM311290;CCC(C)(CC)NC=O;VZRREGDVSGKTED-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311291;MM311291;COC=CC(C)(C#N)C=O;HNJBVAQLXOKZNK-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311292;MM311292;CC1N=C(CC#N)NC1=O;LSOKPZDJOQOEQS-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311293;MM311293;C=CC(N)(C=C)C=COC;UEBHGMWPDHFPNP-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311294;MM311294;C=CCC1=CC(=C)C(C)O1;RZARANVEKLLADL-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311295;MM311295;C=CC(O)(C=C)C=COC;VDLIOXMGPUHQJY-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311296;MM311296;COC=CC(O)(C=O)C=O;NTBDXAZCEGRTGS-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311297;MM311297;C=C1C=C(CC#N)OC1C;CXOXSVIYHPGLPS-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311298;MM311298;C=CCC1=CC(=N)N(C)C1;ALLRYEOBUGSKBO-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311299;MM311299;COC=CC(O)(C#N)C=O;VUUYPONQKZOEBA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311300;MM311300;CN1CC(CC#N)=CC1=N;BEQRVVBOCGCBIU-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311301;MM311301;C=CC(F)(C=C)C=COC;LRIFCPRQTBVLNG-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311302;MM311302;COC=CC(F)(C#N)C=O;OZRQGNFQUCOOAD-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311303;MM311303;C=CCC1=CC(=O)N(C)C1;FMLKUPJQKLADPZ-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311304;MM311304;COC=CC(F)(C#N)C#N;NSRZKJYNSULKIP-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311305;MM311305;CN1CC(CC=O)=CC1=O;NPEGPDOCUWYGKC-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311306;MM311306;C=CC(C)(C=C)C=NNC;QVUDOZJUKVBOAT-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311307;MM311307;CN1CC(CC#N)=CC1=O;ZNXXWYKJMBZZBR-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311308;MM311308;C=CCC1=CC(=N)N(N)C1;KKWOPLBNEHNMFN-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311309;MM311309;C=CC(F)CCCCO;PGSAPVINCFPVTE-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311310;MM311310;C=CCC1=CC(=O)N(N)C1;SDDUBRDMBWRETJ-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311311;MM311311;C=CC(F)(C=C)C=NNC;BXHKQIULHSDZEB-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311312;MM311312;C=NNC1=CC(=O)N(N)C1;BNTCFYZAMKXKCH-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311313;MM311313;C=CC(C)(C=C)C=NOC;VXCQYIWXNKKNKF-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311314;MM311314;C=CN=C1CN(N)C(=O)N1;LGKOQJLGFARNRJ-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311315;MM311315;C=CC(C)(C#N)C=NOC;KRAPOHIFELURSF-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311316;MM311316;O=c1nc(O)c(F)nn1O;FKJOKRUPSPGGMJ-UHFFFAOYSA-N;147.07;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311317;MM311317;C=CC=CC(C)(C=C)C=C;WPPFHKPTOPNCNS-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311318;MM311318;O=c1oc(CF)c(O)n1O;LAAMQDPQGHHUBE-UHFFFAOYSA-N;149.08;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311319;MM311319;C=CC(C)(C=C)C=CC=O;UYVAAYJOICNQLW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311320;MM311320;O=CCCC(=CF)C(=O)O;XNAKGPATOSNMPN-UHFFFAOYSA-N;146.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311321;MM311321;C=CC(C)(C=C)C=CC#N;FUOZLEUUYDDSAI-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311322;MM311322;C=CCc1cc(=N)n(C)o1;MOZMSKWJJUEPKW-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311323;MM311323;C=CC=CC(C)(C=C)C=O;LAELKEQKMJGMGE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311324;MM311324;Cn1oc(CC#N)cc1=N;HVZYRZXYMQFDQI-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311325;MM311325;C=CC=CC(C)(C#N)C=C;FHNBNSCMIMNZFI-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311326;MM311326;C=CCc1cc(=O)n(C)o1;GROGXRKPXVSGFB-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311327;MM311327;C=CC(C)(C=O)C=CC=O;VESOXZCZEPHXEA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311328;MM311328;Cn1oc(CC#N)cc1=O;TXVVPGROCISXIC-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311329;MM311329;C=CC(C)(C#N)C=CC=O;IGWXGWGRPOYKHT-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311330;MM311330;C=CCc1cc(=O)n(N)o1;JYUFLGYEWGQBQD-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311331;MM311331;C=CC(C)(C=O)C=CC#N;YSZWSGVITWNDTA-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311332;MM311332;CC(C(N)=O)C(=O)O;FEPGCRWGNPMJMY-UHFFFAOYSA-N;117.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311333;MM311333;C=CC(C)(C#N)C=CC#N;YWOKNWUCGVNOAA-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311334;MM311334;CON=c1[nH]c(=O)[nH]o1;DZPXYIKCPAZDQW-UHFFFAOYSA-N;131.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311335;MM311335;C=CC=CC(C)(C#N)C#N;OGPLPRFEXYNCRL-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311336;MM311336;C#CC(C)CCC(N)=O;IJOHWWKETVPRRV-UHFFFAOYSA-N;125.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311337;MM311337;CC(C=O)(C=O)C=CC=O;HDHGVLQXTNKDNV-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311338;MM311338;C#CCC1=CC(=C)C(C)C1;ASQSACGKSVEGMO-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311339;MM311339;CC(C#N)(C=O)C=CC=O;LGTYFCYOJSURHS-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311340;MM311340;C#CCC1=CC(=O)C(C)C1;MAZLYUHHPRLHGJ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311341;MM311341;CC(C#N)(C#N)C=CC#N;UWACTMRUHZQLGV-UHFFFAOYSA-N;131.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311342;MM311342;C#CCC1=CC(=C)C(N)C1;AAPNSYXWMPCYEI-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311343;MM311343;C=CC=CC(N)(C=C)C=C;CIZQQCWMPIZEFW-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311344;MM311344;CC(CCCO)C(N)=O;INQFNCDUUSCRIZ-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311345;MM311345;C#CCC1=CC(=O)C(O)C1;LGEHZTDRRBYUJM-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311346;MM311346;N#CC(F)CCCCO;JFHIMRSSSNSOFS-UHFFFAOYSA-N;131.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311347;MM311347;C#CCC1=CC(=C)C(F)C1;KYPCYUUUBCMTMF-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311348;MM311348;C=CC(O)(C=C)C=CC=O;MWBVULNICVOBEY-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311349;MM311349;C#CCC1=CC(=O)C(F)C1;WXYAWUKQDONDJX-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311350;MM311350;C=CC=CC(O)(C=C)C=O;IMFUMFJYNZBCOE-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311351;MM311351;C#CCc1cc(O)c(C)[nH]1;CEGLXBUERZUAQW-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311352;MM311352;C=CC(O)(C#N)C=CC=O;DGYKDUIMRYHPCV-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311353;MM311353;C#CCC1=NC(C)C(=O)N1;IFKJNGKAYPWIQA-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311354;MM311354;C=CC=CC(O)(C#N)C#N;ZURSTZWQLOFSMX-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311355;MM311355;C#CCC1=CC(=C)C(C)O1;FNXVMJTWGQJPPG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311356;MM311356;N#CC(O)(C#N)C=CC=O;HFARLBOTUBJCIO-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311357;MM311357;C#CCC1=CC(=N)N(C)C1;MWBVQFLXUFNPKL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311358;MM311358;C=CC=CC(F)(C=C)C=C;CCSUKMPZJOTVJI-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311359;MM311359;C#CCC1=CC(=O)N(C)C1;QGQOTWBEMHNPFI-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311360;MM311360;O=CC=CC(F)(C=O)C=O;PYXCFRAPGXDFAP-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311361;MM311361;C#CCC1=CC(=N)N(N)C1;RKZCSPASPVEZKX-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311362;MM311362;N#CC=CC(F)(C=O)C=O;NPFVJXWUAVBARB-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311363;MM311363;C#CCC1=CC(=O)N(N)C1;HPLGQEKOACUNMY-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311364;MM311364;N#CC=CC(F)(C#N)C=O;SRBJDRSRXYOYNU-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311365;MM311365;CCON=c1[nH]c(=O)[nH]o1;SVCWBKKEBXDUKQ-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311366;MM311366;C=C(OCC)C(=O)O;QCZKLKFGDITLCF-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311367;MM311367;N#CC(F)(C#N)C=CC=O;WUISLHIQFYNAGO-UHFFFAOYSA-N;138.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311368;MM311368;C=CC(OCOC)C(=O)O;SRDAGGHDPVQKLU-UHFFFAOYSA-N;146.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311369;MM311369;C=CC(C)(C=C)C=NN=C;NOHZAHORXSAWAT-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311370;MM311370;C#CCc1cc(=N)n(C)o1;PCPHJRVBFKSUHW-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311371;MM311371;C=CC(C)(C=O)C=NN=C;LCYOJINFWUBDDA-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311372;MM311372;C#CCc1cc(=O)n(N)o1;TXFAILCDUBKTQC-UHFFFAOYSA-N;138.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311373;MM311373;C=CC(C)(C#N)C=NN=C;NEYDHDYFHFPLPV-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311374;MM311374;CCOC=CC(O)C(=O)O;GUZIVGDWUVHSKB-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311375;MM311375;C=NN=CC(C)(C=O)C=O;CUAVTIBNOUIMPK-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311376;MM311376;C#CCc1nc(=O)n(C)o1;LKDUHSAVGZVCIP-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311377;MM311377;C=NN=CC(C)(C#N)C=O;HUQDAKHBVWNIPX-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311378;MM311378;C#CCc1nc(=N)n(N)o1;NQGIGPNATRIDMT-UHFFFAOYSA-N;138.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311379;MM311379;C=CC(O)(C=C)C=NN=C;ZJJJRVJTIOXIMO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311380;MM311380;C#CCc1nc(=O)n(N)o1;QNEQNINONXPBIN-UHFFFAOYSA-N;139.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311381;MM311381;C=CC(F)(C=C)C=NN=C;DOQBGTSUNURUOV-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311382;MM311382;C=CC1CC1(C)C(N)=O;BHIHVYUBGVUGOM-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311383;MM311383;C=CC(F)(C=O)C=NN=C;SARNEKMZENKKCE-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311384;MM311384;O=c1o[nH]c(F)c1O;NYOAZGWMKREIBZ-UHFFFAOYSA-N;119.05;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311385;MM311385;C=NN=CC(F)(C=O)C=O;CEUNESKFAWUIIB-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311386;MM311386;C=C1CC(CCC)=CC1C;NYCFMTGPUKLRBJ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311387;MM311387;C=C1CC(CCC)=CC1N;IXFMOETWPSGXBW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311388;MM311388;C=NN=CC(F)(C#N)C=O;IVRFMCNXNIJXNL-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311389;MM311389;NN=CC#CC(F)CF;MMUOQWDBPSDXFB-UHFFFAOYSA-N;132.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311390;MM311390;C=NN=CC(F)(C#N)C#N;OGXRWJYTVAMXSF-UHFFFAOYSA-N;138.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311391;MM311391;C=C1CC(CCC)=CC1F;HNNBSIDYKFNYQO-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311392;MM311392;C#CC=CC(C)(C=C)C=C;DWZXHNTUDVVBGF-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311393;MM311393;C=C1CC(CCN)=CC1F;ULGDMNYUSNIVSU-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311394;MM311394;C#CC=CC(C)(C=C)C=O;VBOMGXMURMDHBT-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311395;MM311395;CCCC1=CC(C)C(=O)C1;OBNGYJIYKNPHOP-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311396;MM311396;C#CC=CC(C)(C#N)C=C;YLONXNDAXATZIX-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311397;MM311397;CCCC1=CC(O)C(=O)C1;WHNDVLQZTCRFNC-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311398;MM311398;C#CC=CC(C)(C#N)C=O;NVUIPKZHBHIMAO-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311399;MM311399;CCCC1=CC(C)C(=N)N1;UBGXKBPJIASRCE-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311400;MM311400;C#CC=CC(C)(C#N)C#N;BDMXVXNBTHZNJS-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311401;MM311401;CCCC1=CC(N)C(=N)N1;PTECMABWILQSLI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311402;MM311402;C#CC=CC(N)(C=C)C=C;MVYZODFNYHGLSN-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311403;MM311403;CCCC1=CC(O)C(=N)N1;BJRIFRBKJOAXTP-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311404;MM311404;C#CC(C)CCCCO;BBICQYFOWVBOAR-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311405;MM311405;CCCC1=CC(C)C(=O)N1;JPDSHDLRTVAGHL-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311406;MM311406;C#CC=CC(O)(C#N)C=C;HNZYJDSAHFUNKS-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311407;MM311407;CCCC1=CC(O)C(=O)N1;WJQNXRNSBJKPEO-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311408;MM311408;C#CC=CC(O)(C=O)C=O;LVNZPQQXTONNMA-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311409;MM311409;C=C1OC(CCC)=CC1C;ACPAONKXOWLABE-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311410;MM311410;C#CC=CC(O)(C#N)C#N;GXMNRTJATLKMJS-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311411;MM311411;C=C1OC(CCC)=CC1N;STHKVJOUNDQBIL-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311412;MM311412;C#CC=CC(F)(C=C)C=C;CUFCWDLBZOOZSW-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311413;MM311413;C=C1OC(CCC)=CC1O;JHLAKOLHPWROPU-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311414;MM311414;C#CC=CC(F)(C#N)C=O;PDYQVLNHKXNBOR-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311415;MM311415;C=C1OC(CCC)=CC1F;USGZHJLJXVVKTL-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311416;MM311416;C#CC=CC(F)(C#N)C#N;LVFIOWBRFRRBKS-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311417;MM311417;CCCC1=CC(C)C(=O)O1;KTRSYHXWQRTISF-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311418;MM311418;C#CC(C)(C=C)C=CCC;SNODJBPJWHWSGA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311419;MM311419;CCCC1=CC(O)C(=O)O1;CBDHSJFMXFQFGB-UHFFFAOYSA-N;142.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311420;MM311420;C#CC(C)(C=C)C=CCN;MCOMXFFMSCKGDJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311421;MM311421;CCCC1=CN(C)C(=N)C1;SDJNEEAKXFUIBR-UHFFFAOYSA-N;138.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311422;MM311422;C#CC(C)(C=C)C=CCO;LMYRWRYNRRAJOX-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311423;MM311423;CN1C=C(CCN)CC1=N;JNDIVJDASVNLMI-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311424;MM311424;C#CC(C)(C=C)C=CCF;FCEOMRGOFJMMIT-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311425;MM311425;CCCC1=CN(N)C(=N)C1;JQFWAPWOPFNMOI-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311426;MM311426;C#CC(C)(C#N)C=CCC;VTEIJHMGWAMDIB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311427;MM311427;CCCC1=CN(O)C(=N)C1;PYRDAHLIRKGLBQ-UHFFFAOYSA-N;140.19;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311428;MM311428;C#CC(C)(C#N)C=CCO;UNEGEFBLNHDRTA-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311429;MM311429;N=C1CC(CCN)=CN1O;MQFIUBNZQQIKGS-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311430;MM311430;C#CC(C)(C#N)C=CCF;NXZZLPNOXRQOIX-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311431;MM311431;CCCC1=CN(C)C(=O)C1;VIZUTZFLSQRUIJ-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311432;MM311432;C#CC(O)(C=C)C=CCN;HUNKIJGTHYVTBO-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311433;MM311433;CN1C=C(CCN)CC1=O;QVFQFWNQAOTCTM-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311434;MM311434;C#CC(O)(C=C)C=CCF;FXBADEZPCVPYQC-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311435;MM311435;CCCC1=CN(N)C(=O)C1;DHPGZWVJCUMFJY-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311436;MM311436;C#CC(F)(C=C)C=CCC;VOJQHBPIXNWRLX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311437;MM311437;CCCC1=CN(O)C(=O)C1;TZYIAZRJPGIPDA-UHFFFAOYSA-N;141.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311438;MM311438;C#CC(C)(C=C)C=COC;GDIKUVFLJAZLDN-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311439;MM311439;NCCC1=CN(O)C(=O)C1;GGQUWVFFMSQSSY-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311440;MM311440;C#CC(C)(C=O)C=COC;MPWPDTKWXYTCLX-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311441;MM311441;C=CC(C)C(C)NC=O;CLNLZONAPHXWEF-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311442;MM311442;C#CC(C)(C#N)C=COC;UOYNPIYHTOPXBX-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311443;MM311443;C#CCN(N)C(=O)CF;GYBLCFWDYFFGKI-UHFFFAOYSA-N;130.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311444;MM311444;C#CC(O)(C=O)C=COC;LYAXBMRPYQCCTM-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311445;MM311445;CCCc1cn(C)c(=N)[nH]1;WTNDLMHHJQZFAO-UHFFFAOYSA-N;139.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311446;MM311446;C#CC(F)(C=O)C=COC;OOAKVPWSWAEXSX-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311447;MM311447;CCCc1cn(C)c(=O)[nH]1;BMLFHVUEYDDDHJ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311448;MM311448;C#CC(F)(C#N)C=COC;HCDCNXPLYOAGSW-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311449;MM311449;CCCc1cn(N)c(=O)[nH]1;WENMIBGGGOOIQN-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311450;MM311450;C#CC(C)(C=C)C=NNC;KXYJXICJALACJA-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311451;MM311451;CCCc1cn(C)c(=N)o1;QYIGAMSRWYOGPD-UHFFFAOYSA-N;140.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311452;MM311452;C#CC(C)(C=O)C=NOC;CBAYOGNOSNMJNY-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311453;MM311453;COC1=NC(=O)C(=N)N1;RIDSBMBMJYTXAW-UHFFFAOYSA-N;127.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311454;MM311454;C#CC(C)(C#N)C=NOC;JPKZOIXONKABPD-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311455;MM311455;C=CCC1=CC(C)C(=C)C1;MMDWLLGQEKDGJF-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311456;MM311456;C#CC(O)(C=C)C=NOC;RFMZJQMWFQXDML-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311457;MM311457;C=C1CC(CC#N)=CC1C;GHNDOYIFVFSWCT-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311458;MM311458;C#CC(C)(C=C)C=CC=C;OLBUJNZQTIPFGO-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311459;MM311459;C=CCC1=CC(N)C(=C)C1;IXZCJFYHJANAMG-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311460;MM311460;C#CC(C)(C=C)C=CC=O;MXBRAMVSFKMZGF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311461;MM311461;O=CCC1NC1C=CF;XHXQRVUHTZBJTL-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311462;MM311462;C#CC(C)(C=O)C=CC=C;NLUBFEUGVNUFNN-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311463;MM311463;C=C1CC(CC#N)=CC1O;PMQRREUMBCPKRL-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311464;MM311464;C#CC(C)(C#N)C=CC=C;FPVQKEWSLACIDU-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311465;MM311465;C=CCC1=CC(F)C(=C)C1;CBVAOJNKLGLLBC-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311466;MM311466;C#CC(C)(C=O)C=CC=O;GIOCHMVJKATQAU-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311467;MM311467;C=C1CC(CC#N)=CC1F;ABLOCFSCBUGCNL-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311468;MM311468;C#CC(C)(C#N)C=CC=O;BWVYSRYWVVMWOO-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311469;MM311469;C=CCC1=CC(C)C(=O)C1;LIPGOEYCMBANLO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311470;MM311470;C#CC(C)(C#N)C=CC#N;VPNOOXQJYYMWSR-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311471;MM311471;CC1C=C(CC#N)CC1=O;ZYGDZIKWVQUAKZ-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311472;MM311472;C#CC(O)(C=C)C=CC=C;VIKCPCMHGMNMAV-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311473;MM311473;C=CCC1=CC(O)C(=O)C1;HCOYQUMNWREMQE-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311474;MM311474;C#CC(O)(C#N)C=CC#N;AZIWEOCWLZIVSW-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311475;MM311475;N#CCC1=CC(O)C(=O)C1;BPDRYRQGHCBVQC-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311476;MM311476;C#CC(F)(C=C)C=CC=C;XKUNUHHCHFKGRW-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311477;MM311477;C=CCC1=CC(F)C(=O)C1;HHBVMLUGJOTVNM-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311478;MM311478;C#CC(F)(C=C)C=CC#N;MLWAFFZZWVDDJU-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311479;MM311479;N#CCC1=CC(F)C(=O)C1;ITTKEJZIJRLBSZ-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311480;MM311480;C#CC(F)(C=O)C=CC=O;HUYPRMGIYLOCFV-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311481;MM311481;NC=NC1=CC(O)C(=O)C1;CKFNJLIEPDFXRA-UHFFFAOYSA-N;140.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311482;MM311482;C#CC(F)(C#N)C=CC=O;LKFNTFFJVGXYJY-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311483;MM311483;C#CC(F)(C=O)C=CC#N;WKCQWQXGPDYBCP-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311484;MM311484;C=COC1=CC(C)C(=C)C1;BXOQQFRWGIJNHK-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311485;MM311485;C#CC(C)(C=C)C=NN=C;VJQRHMPBBLQDGW-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311486;MM311486;C=COC1=CC(F)C(=O)C1;GYJWEIAOIMKMCP-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311487;MM311487;C#CC(C)(C=O)C=NN=C;HMSRGJATIOGDIQ-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311488;MM311488;C=CCC1=CC(C)C(=N)N1;JUBMABVOWIIUTG-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311489;MM311489;C#CC(C)(C#N)C=NN=C;RWJPDQKOEYDWEM-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311490;MM311490;CC1C=C(CC#N)NC1=N;MCBOJFTVGXGKAU-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311491;MM311491;C#CC(O)(C#N)C=NN=C;NWYJKBGJSZPXLV-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311492;MM311492;C=CCC1=CC(N)C(=N)N1;FPSUFSULLJQKRU-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311493;MM311493;C#CC(F)(C=O)C=NN=C;YQWPRJIRQNUQBC-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311494;MM311494;C=CCC1=CC(O)C(=N)N1;BIAVOSOVVKSVBR-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311495;MM311495;C#CC(F)(C#N)C=NN=C;HYUNNQNDFILDNQ-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311496;MM311496;N#CCC1=CC(O)C(=N)N1;UMTJJLKMFCACFR-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311497;MM311497;C#CC=CC(C)(C#C)C=C;WAGAYAMUVKWQIU-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311498;MM311498;C=CCC1=CC(C)C(=O)N1;SPMWLAUOTSLAHM-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311499;MM311499;C#CC=CC(C)(C#C)C=O;CVBUJYGPPZUFEP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311500;MM311500;CC1C=C(CC#N)NC1=O;RPXDFOMCYALXFU-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311501;MM311501;C#CC=CC(C)(C#C)C#N;VEZKVFNZEMNMMW-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311502;MM311502;C=CCC1=CC(O)C(=O)N1;VUKIRBXSLGQASH-UHFFFAOYSA-N;139.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311503;MM311503;C#CC=CC(O)(C#C)C#N;BVNJLBFLPLVRQX-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311504;MM311504;N#CCC1=CC(O)C(=O)N1;ZYRRTZDUOOVMNO-UHFFFAOYSA-N;138.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311505;MM311505;C#CC=CC(F)(C#C)C#N;AMHBIRCCUQAJGL-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311506;MM311506;CC1C=C(NC=N)NC1=N;XJDJRTIBBISSCG-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311507;MM311507;C#CC(C)(C#C)C=CCC;UDCZCXXYDZCCHT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311508;MM311508;C=COC1=CC(C)C(=N)N1;KVDZWUHEWKDHRW-UHFFFAOYSA-N;138.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311509;MM311509;C#CC(C)(C#C)C=CCN;ZONWVLBWXGNQQX-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311510;MM311510;C=CCC1=NC(C)C(=C)N1;ZLPXHWCBFHRKCX-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311511;MM311511;C#CC(C)(C#C)C=CCO;QHVQQONDJLEQBI-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311512;MM311512;C=CNC1=NC(C)C(=C)N1;QBLDCFUKOJMUSX-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311513;MM311513;C#CC(C)(C#C)C=CCF;SZIARRLSQQURFJ-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311514;MM311514;C=CNC1=NC(C)C(=N)N1;MMSCNFHSYPOWHX-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311515;MM311515;C#CC(O)(C#C)C=CCO;YYEKYDSFIXRIKI-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311516;MM311516;C=CCC1=CC(C)C(=C)O1;OUWNHAHCGWUBRD-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311517;MM311517;C#CC(O)(C#C)C=CCF;XLLNHZXJZWLIFB-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311518;MM311518;C=C1OC(CC#N)=CC1C;FEHFZQUMWBYGDJ-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311519;MM311519;C#CC(F)(C#C)C=CCO;KWALTGGPDWGLCJ-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311520;MM311520;C=CCC1=CC(N)C(=C)O1;AUAQTJJZOQXGFA-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311521;MM311521;C#CC(C)(C#C)C=COC;JAJBXLJYAKJCGQ-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311522;MM311522;C=CCC1=CC(O)C(=C)O1;UWGAFHAAYFPHQP-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311523;MM311523;C#CC(O)(C#C)C=COC;KORJEUTXTNWPMT-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311524;MM311524;C=C1OC(CC#N)=CC1O;OXTVAXVFXNHEQZ-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311525;MM311525;C#CC(F)(C#C)C=COC;OCUFDLGLXOKESU-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311526;MM311526;C=C1OC(CC#N)=CC1F;QKHINBVFXQTVHW-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311527;MM311527;C#CC(C)(C#C)C=NNC;AKKIXWIBKUSZSK-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311528;MM311528;C=CCC1=CC(C)C(=O)O1;LKVITYDUDYSUEQ-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311529;MM311529;C#CC(N)(C#C)C=NNC;LKPMZBYBBIRMEL-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311530;MM311530;CC1C=C(CC#N)OC1=O;JKHDLJMGANZDEJ-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311531;MM311531;C#CC(O)(C#C)C=NNC;NSTKQQKZUDIELS-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311532;MM311532;C=CCC1=CC(O)C(=O)O1;ONESELKUKFNBES-UHFFFAOYSA-N;140.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311533;MM311533;C#CC(F)CCCCO;SUZVMTMFGZRRNZ-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311534;MM311534;N#CCC1=CC(O)C(=O)O1;MEYCWHQGRNDMOZ-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311535;MM311535;C#CC(C)(C#C)C=NOC;LFVXLYZLMJQYES-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311536;MM311536;C=CCC1=CN(C)C(=N)C1;RJVAIOYDPDRYFK-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311537;MM311537;C#CC(F)(C#C)C=NOC;FZXICAWLFRJAEA-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311538;MM311538;CN1C=C(CC#N)CC1=N;RJQRDDRKWBQKDA-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311539;MM311539;C#CC(C)(C#C)C=CC=C;SKJIDZPPDNJUDZ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311540;MM311540;C=CCC1=CN(N)C(=N)C1;BURUKHYNUZBTLD-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311541;MM311541;C#CC(C)(C#C)C=CC=O;FHYQEZZPOIEZFJ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311542;MM311542;C=CCC1=CN(O)C(=N)C1;INKVZYURAQLUTB-UHFFFAOYSA-N;138.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311543;MM311543;C#CC(C)(C#C)C=CC#N;IXWXHCGOFFYMEQ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311544;MM311544;C#CC(C)(C#C)C=NN=C;BJQALWQYUQWMGN-UHFFFAOYSA-N;132.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311545;MM311545;N#CCC1=CN(O)C(=N)C1;ZDQNHMRPGQEYPE-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311546;MM311546;C#CC(N)(C#C)C=NN=C;WOHDJYLKECNHEU-UHFFFAOYSA-N;133.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311547;MM311547;C=CCC1=CN(C)C(=O)C1;ZGGZCDKQEXKUNE-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311548;MM311548;C#CC(O)(C#C)C=NN=C;GYUNWPWICWLFKD-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311549;MM311549;CN1C=C(CC#N)CC1=O;QUVOJAWOWNMXRZ-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311550;MM311550;C#CC(F)(C#C)C=NN=C;QDPSIAMQBBATIS-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311551;MM311551;C=CCC1=CN(N)C(=O)C1;NNNYMOUKUPCHEF-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311552;MM311552;C#CC=CC(C)(C#C)C#C;PKRKNGGVUGDKKR-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311553;MM311553;C=CCC1=CN(O)C(=O)C1;MSQDUYWEIJGEHA-UHFFFAOYSA-N;139.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311554;MM311554;C#CC=CC(O)(C#C)C#C;NBHGBTTVDFNOOS-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311555;MM311555;N#CCC1=CN(O)C(=O)C1;SMUBNVAXWGMFDG-UHFFFAOYSA-N;138.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311556;MM311556;C#CC=CC(F)(C#C)C#C;CANKQBZFXITGBI-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311557;MM311557;CN1C=C(NC=N)CC1=N;CTHRPSSTDJUERT-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311558;MM311558;CCC#CC(C)(CC)CC;YHNZUFTUGJAEPN-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311559;MM311559;CN1C=C(NC=O)CC1=N;PQLMBVLZVASCAJ-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311560;MM311560;CCC(C)(C#CCN)CC;QHHYWTAUBFBRJB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311561;MM311561;N=CNC1=CN(O)C(=N)C1;UVEKCQBEHULMSZ-UHFFFAOYSA-N;140.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311562;MM311562;CCC(C)(C#CCO)CC;ZCSIDLZZQLMWLX-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311563;MM311563;C=COC1=CN(C)C(=N)C1;IZRUGZSYJBRKEW-UHFFFAOYSA-N;138.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311564;MM311564;CCC(C)(C#CCF)CC;PFFYMYALQCPGOZ-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311565;MM311565;N#CC(=CN)OCC=O;DREQWTGIACHJQH-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311566;MM311566;CCC#CC(C)(CC)CN;GVQXAMPJOPEGTL-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311567;MM311567;CNC(C#N)C#CC=O;KGKZWPRSGFPGHB-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311568;MM311568;CCC(C)(C#CCN)CN;MHKKSJWWJJENOB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311569;MM311569;C=CCC1=NN(C)C(=O)C1;NRFHGXULXULAGA-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311570;MM311570;CCC(C)(C#CCO)CN;PRZJTUIOSQZMFC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311571;MM311571;CN1N=C(CC#N)CC1=O;BJPLMQFQASVOGC-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311572;MM311572;CCC(C)(C#CCF)CN;PMGNSUWLECJWEJ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311573;MM311573;C=CCc1cn(C)c(=N)[nH]1;YJFHKLJQCKMBIT-UHFFFAOYSA-N;137.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311574;MM311574;CC1(CCCCO)CC1;COJAIAOQHIISEH-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311575;MM311575;Cn1cc(CC#N)[nH]c1=N;JYHMWDQBSIXHOI-UHFFFAOYSA-N;136.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311576;MM311576;CCC(C)(C#CCN)CO;SOGWGDWTGCHTQS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311577;MM311577;C=CCc1cn(N)c(=N)[nH]1;ANIMTNIMLRDCIO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311578;MM311578;CCC(C)(C#CCO)CO;FMAISOIORKINIY-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311579;MM311579;C=CCc1cn(O)c(=N)[nH]1;RPSOPBHPVZMESD-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311580;MM311580;OCCCCC1(O)CC1;HCCOLDVVFDLZCI-UHFFFAOYSA-N;130.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311581;MM311581;C=CCc1cn(C)c(=O)[nH]1;QLJIZPRQKYXKRB-UHFFFAOYSA-N;138.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311582;MM311582;CCC(C)(C#CCF)CF;CGYYRWYBHIIXJR-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311583;MM311583;Cn1cc(CC#N)[nH]c1=O;IUHLZLMNALEDSI-UHFFFAOYSA-N;137.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311584;MM311584;CCC#CC(C)(CN)CN;ZXBBTWJVSITYOY-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311585;MM311585;C=CCc1cn(N)c(=O)[nH]1;VUYXNUSOTFYTBN-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311586;MM311586;CC(C#CCN)(CN)CN;DBBMVKIWRNNOOI-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311587;MM311587;C=CCc1cn(C)c(=N)o1;AXWGCFFCECMDPV-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311588;MM311588;CC(C#CCO)(CN)CN;YLFICOYYEZALAO-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311589;MM311589;Cn1cc(CC#N)oc1=N;SJUHFAOGDNRKDF-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311590;MM311590;CC(C#CCF)(CN)CN;OTPWEXSEKKRZKS-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311591;MM311591;N#CC1(CCC=O)CN1;QZAMFZXRNILUGE-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311592;MM311592;CCC#CC(C)(CN)CO;LRCTVDRUAAERPC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311593;MM311593;CC(C)(C)NC(C#N)C=O;DHDCCUHEPPVZAX-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311594;MM311594;CC(C#CCO)(CN)CO;MGVALJVSWSXOCX-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311595;MM311595;C=CCc1cn(C)c(=O)o1;YSZYZYIANMCSIM-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311596;MM311596;CC(C#CCF)(CN)CO;LVPGCNUXDBZGIS-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311597;MM311597;C=CCc1cn(N)c(=O)o1;KDNFLYZJBJSZIF-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311598;MM311598;CCC#CC(C)(CN)CF;SNOGGEABIADNKX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311599;MM311599;O=CC(O)CC(=O)O;QWHDXIUUXWGQME-UHFFFAOYSA-N;118.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311600;MM311600;CC(C#CCN)(CN)CF;NHDVQWYBAQYNRX-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311601;MM311601;N#CCc1noc(O)n1;JZKNEMYQNNFXDY-UHFFFAOYSA-N;125.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311602;MM311602;CC(C#CCF)(CN)CF;JEMULVGJQCVEOS-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311603;MM311603;C=CCc1nn(C)c(=N)o1;HFSXXJJEPJYJIG-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311604;MM311604;CC(C#CCN)(CO)CO;FHPSGIBDUVNHCS-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311605;MM311605;CNC(=O)C=C(C)C(C)C;IUAPTNOMAICBFI-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311606;MM311606;CC(C#CCO)(CO)CO;VCOWIWLAYFWZHE-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311607;MM311607;C=CCc1nn(N)c(=N)o1;MLEROGWMAOHWTG-UHFFFAOYSA-N;140.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311608;MM311608;CC(C#CCF)(CO)CO;QDAVYWPGNBMYHP-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311609;MM311609;C#CCC(C=C)CC(N)=O;FIAAFAVGIVNNQD-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311610;MM311610;CC(C#CCN)(CO)CF;BXZQZGFQIOIXPJ-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311611;MM311611;C=CCc1nn(C)c(=O)o1;XSKULVGXJZNPRR-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311612;MM311612;CC(C#CCO)(CO)CF;JWBRYCNSMNGJMN-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311613;MM311613;C=CCc1nn(N)c(=O)o1;OWOVZUVXOLZHFT-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311614;MM311614;CC(C#CCO)(CF)CF;RDNPNYLOGPXQGO-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311615;MM311615;C#CCc1noc(O)n1;TXRANRUKKFEELF-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311616;MM311616;CCC#CC(N)(CC)CC;WKQSHYNMYBWBSE-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311617;MM311617;C#CCC1=CC(C)C(=C)C1;KLKZKLHKPOLSNN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311618;MM311618;CCC(N)(C#CCN)CC;XOHBWUIWRNWXFO-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311619;MM311619;C#CCC1=CC(N)C(=C)C1;IKRZBHAUKFWJER-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311620;MM311620;CCC(N)(C#CCO)CC;FZLASTLSYDQYMD-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311621;MM311621;C=NNC(C=O)=NC(C)=N;RLOFUYRPSSSZRG-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311622;MM311622;CCC(N)(C#CCF)CC;VIKBVOFYHWLJRK-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311623;MM311623;C#CCC1=CC(F)C(=C)C1;AUNYERUOYQPWQA-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311624;MM311624;CCC#CC(N)(CC)CN;FJVMXYSYCHHATI-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311625;MM311625;C#CCC1=CC(C)C(=O)C1;OGEGDLASVMXSOL-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311626;MM311626;CCC(N)(C#CCO)CN;YVTLPKGLHGVQKS-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311627;MM311627;C#CCC1=CC(O)C(=O)C1;WDQXFXXFXNOLJE-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311628;MM311628;CCC(N)(C#CCO)CO;AZJFNILMHVBJMP-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311629;MM311629;C#CCC1=CC(C)C(=N)N1;JWHIEDRLPYDANE-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311630;MM311630;CCC(N)(C#CCF)CO;MBZCDNJUMHRVFT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311631;MM311631;C#CCC1=CC(N)C(=N)N1;MCHUKQDKTMTJNZ-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311632;MM311632;NCC(N)(C#CCO)CN;MDXDMTOHKVYXPI-UHFFFAOYSA-N;143.19;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311633;MM311633;C#CCC1=CC(O)C(=N)N1;TWHMRHRMLSHCJH-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311634;MM311634;NCC(N)(C#CCF)CN;RTIBMWLXFWIXLI-UHFFFAOYSA-N;145.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311635;MM311635;C#CCC1=CC(C)C(=O)N1;PUVLWFNLZNHFSE-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311636;MM311636;NCC(N)(C#CCO)CO;WEWSOTPHJLFCAX-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311637;MM311637;C#CCC1=CC(O)C(=O)N1;CWJNBDLOKPFEJQ-UHFFFAOYSA-N;137.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311638;MM311638;NCC(N)(C#CCF)CO;PAWSSCWATXXFDW-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311639;MM311639;C#CCC1=CC(C)C(=C)O1;HTBNJSLUVHBVEF-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311640;MM311640;NCC#CC(N)(CO)CO;VSJGPADSNOYSKU-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311641;MM311641;C#CCC1=CC(N)C(=C)O1;RSAUCJSGHGRCSK-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311642;MM311642;CCC(O)(C#CCN)CC;BJFOQSWFZOKDAP-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311643;MM311643;C#CCC1=CC(O)C(=C)O1;KAUGCDFZZDPIJY-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311644;MM311644;CCC(O)(C#CCN)CN;IBPJZNMAQFOSHC-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311645;MM311645;C#CCC1=CC(F)C(=C)O1;YKPOZEPZHNFPMC-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311646;MM311646;CCC(O)(C#CCO)CN;YLOWYEHMODVYHZ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311647;MM311647;C#CCC1=CC(C)C(=O)O1;DRGLSZYJZCCDCO-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311648;MM311648;CCC(O)(C#CCF)CF;UXIONJDOAXMFJS-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311649;MM311649;C#CCC1=CC(O)C(=O)O1;BAUHQOWWPPXJAR-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311650;MM311650;NCC(O)(C#CCO)CO;BEYQXBFYDSWIDT-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311651;MM311651;C#CCC1=CN(C)C(=N)C1;UHCMGSKTFXCWJE-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311652;MM311652;CCC#CC(O)(CO)CO;XZBRROALCWHEIV-UHFFFAOYSA-N;144.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311653;MM311653;C#CCC1=CN(N)C(=N)C1;AFFMAMKQXNHEFE-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311654;MM311654;NCC#CC(O)(CO)CO;FSYCOANZEYDDHJ-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311655;MM311655;C#CCC1=CN(O)C(=N)C1;ZBBIYFRPPJOLKA-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311656;MM311656;OCC#CC(O)(CO)CO;VBMOPNCWGSDEEW-UHFFFAOYSA-N;146.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311657;MM311657;C#CCC1=CN(C)C(=O)C1;VSTGFMUNKATARX-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311658;MM311658;OCC(O)(C#CCF)CO;GENISXZAXTZTPB-UHFFFAOYSA-N;148.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311659;MM311659;C#CCC1=CN(N)C(=O)C1;WEQIYNUNRZAHSD-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311660;MM311660;C#CCC1=CN(O)C(=O)C1;QEXCMNGHFFBOMS-UHFFFAOYSA-N;137.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311661;MM311661;OCC(O)(C#CCF)CF;JCWXPFCHZAPTNO-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311662;MM311662;CCCCCCNC(C)=O;SYIOXNGUUYGIIF-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311663;MM311663;OCC#CC(O)(CF)CF;PISXXAYUVGIGOX-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311664;MM311664;C#CCC1=NN(C)C(=O)C1;PDTJXROGBXQUTE-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311665;MM311665;CCC(F)(C#CCN)CC;JLGCEDGHWSAPSH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311666;MM311666;C#CCc1cn(C)c(=N)[nH]1;XVLIAVJCVKCYFG-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311667;MM311667;CCC(F)(C#CCO)CC;OAEZUNPPOAHVDS-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311668;MM311668;C#CCc1cn(N)c(=N)[nH]1;MPUKRHTZEJKMBV-UHFFFAOYSA-N;136.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311669;MM311669;CCC(F)(C#CCF)CC;AVCNXXXMZBONRF-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311670;MM311670;C#CCc1cn(O)c(=N)[nH]1;IRKMVGPCJZVQLP-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311671;MM311671;CCC(F)(C#CCF)CN;XTFXGJPVOYMSIO-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311672;MM311672;C#CCc1cn(C)c(=O)[nH]1;QQKLFSVKGFOUBP-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311673;MM311673;CCC(F)(C#CCF)CO;SEDBPCSEYKBARE-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311674;MM311674;C#CCc1cn(N)c(=O)[nH]1;URIFWULRWSMPJG-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311675;MM311675;CCC(F)(C#CCO)CF;OVBFRFRYVUFFLZ-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311676;MM311676;C#CCc1cn(C)c(=N)o1;QEDQVNFSCCSUBM-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311677;MM311677;NCC(F)(C#CCO)CF;LFOUFKHKEJQXAE-UHFFFAOYSA-N;149.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311678;MM311678;COCC(F)C(=O)C(=N)N;ZQJDUSMDMUHCHJ-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311679;MM311679;NCC#CC(F)(CO)CO;ALSHRNPKEBVFDE-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311680;MM311680;C#CCc1cn(C)c(=O)o1;MRWMCEPQBNVIBE-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311681;MM311681;OCC#CC(F)(CO)CO;BPQNMMRQIZAEHP-UHFFFAOYSA-N;148.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311682;MM311682;CC1CC1(C)CCNC=O;PDGQCDINYPCEGE-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311683;MM311683;NCC#CC(F)(CO)CF;LMTGFVULEJCEJY-UHFFFAOYSA-N;149.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311684;MM311684;CN(CC(=O)O)C(N)=O;SREKYKXYSQMOIB-UHFFFAOYSA-N;132.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311685;MM311685;CCC#CC(C)(CC)NC;UBCIXVFZLRFDQI-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311686;MM311686;C#CCc1nn(C)c(=N)o1;QJRQWNXFZZHHGN-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311687;MM311687;CCC(C)(C#CCN)NC;XTQBKRYKCUYJGZ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311688;MM311688;C#CCc1nn(N)c(=N)o1;ALWGGZXPWZTCNY-UHFFFAOYSA-N;138.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311689;MM311689;CCC(C)(C#CCO)NC;LEMUGMFHLFINOO-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311690;MM311690;CC(C)C(C(N)=O)=C(N)N;GALCXHFUCOOUCS-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311691;MM311691;CCC(C)(C#CCF)NC;MMKDKPAENLTEHJ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311692;MM311692;C#CCc1nn(C)c(=O)o1;OFYYCKQKLXRVNJ-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311693;MM311693;CCC#CC(C)(CN)NC;FRFBULQBJFZECR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311694;MM311694;C#CCc1nn(N)c(=O)o1;AWBMUMJDKOYDFF-UHFFFAOYSA-N;139.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311695;MM311695;CNC(C)(C#CCO)CN;AUVZZWCJHUPSCD-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311696;MM311696;C=C(CCO)C(O)C(=O)O;GGVDNVOOQMVUTE-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311697;MM311697;CNC(C)(C#CCF)CN;BTPAOILDENNKDF-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311698;MM311698;C=C1C=C(CCC)CC1=C;FAXOKVAXVCYMPT-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311699;MM311699;CCC#CC(C)(CO)NC;SIWIFMAKLBGFHB-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311700;MM311700;C=C1C=C(CCN)CC1=C;XROVAWKWNUSPNK-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311701;MM311701;CNC(C)(C#CCN)CO;CWPOMSXHVCVPIT-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311702;MM311702;C=C1CC(CCC)=CC1=O;AILOGWKFENKFNF-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311703;MM311703;CCC#CC(C)(CC)OC;NIISAXLIRJSYAQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311704;MM311704;C=C1C=C(CCC)CC1=O;FNLLBWAYBBSIOM-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311705;MM311705;CCC(C)(C#CCO)OC;UDWLYBRQDSJEAG-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311706;MM311706;CCCC1=CC(=O)C(=O)C1;LNAHAMLIAZCGOQ-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311707;MM311707;CCC(C)(C#CCF)OC;CXZBFCUDQBIAKR-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311708;MM311708;C=C1CC(CNC)=CC1=O;YVFFCBIPOQRYFR-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311709;MM311709;CCC#CC(C)(CN)OC;OBNHRSZBQOCHNH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311710;MM311710;C=C1CC(NCC)=CC1=O;MEPOAXWUMBEJFG-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311711;MM311711;CCC#CC(C)(CO)OC;GDOOVWYHPYMZCV-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311712;MM311712;C=C1C=C(CCC)NC1=N;CSRFYGOIJZRIBO-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311713;MM311713;CCC#CC(C)(OC)OC;SCWARKQKYADAIB-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311714;MM311714;COC(C)(C#CCN)OC;JHEVGQXQHMXUSR-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311715;MM311715;C=C1C=C(CCN)NC1=N;CZZWNEVFJONHAA-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311716;MM311716;COC(C)(C#CCF)OC;CZTQICKUTVWEHN-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311717;MM311717;C=C(C)C(C(N)=O)=C(C)N;BDBIKCTWSHGVGZ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311718;MM311718;C=CC#CC(C)(CC)CC;NMEFFGLBXODCOI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311719;MM311719;C=C1C=C(CCC)NC1=O;FDORZHMFFQDYBW-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311720;MM311720;CCC(C)(C#CC=O)CC;XGBQAONITSTLAX-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311721;MM311721;CC1(NC(C#N)C=O)CC1;MBLCFONTRGXUIQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311722;MM311722;CCC(C)(C#CC#N)CC;IGJWOASORSOPJN-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311723;MM311723;C=c1cc(CCC)oc1=C;QZBZQAWGHQZWPH-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311724;MM311724;OCCCCC1(F)CC1;SGXATBISUMMRPR-UHFFFAOYSA-N;132.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311725;MM311725;C=C1OC(CCC)=CC1=O;WNGSYVASBIXOBJ-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311726;MM311726;C=CC#CC(C)(CN)CF;PDKRAVONVMBXGH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311727;MM311727;C=C1C=C(CCC)OC1=O;QBHLSBZJVIDCSP-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311728;MM311728;C=CC#CC(N)(CC)CC;MFNSLKPNDHIAGQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311729;MM311729;CCCC1=CC(=O)C(=O)O1;CVXIPVVFVJAJDX-UHFFFAOYSA-N;140.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311730;MM311730;C=CC#CC(N)(CC)CO;MLIRUOMYZMYZLE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311731;MM311731;C=C1OC(CCC)=NC1=N;PQBNLTKLAXMQAV-UHFFFAOYSA-N;138.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311732;MM311732;C=CC#CC(N)(CN)CO;GDZQJBTVENKPMT-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311733;MM311733;C=CCC1=CC(=C)C(=C)C1;LSFZCXBEYVEJKS-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311734;MM311734;C=CC#CC(O)(CC)CC;YGLCDCDLLBLYDP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311735;MM311735;C=C1C=C(CC=O)CC1=C;TUTDZJVWVLAKDQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311736;MM311736;CCC(O)(C#CC=O)CC;SYYPOTGDDBGRJS-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311737;MM311737;C=C1C=C(CC#N)CC1=C;UHGGSQDIOMLULB-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311738;MM311738;C=CC#CC(O)(CC)CN;UWJQFLUWVWRWGN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311739;MM311739;C=CC#CC(O)(CN)CO;JWBSYMIQTZAFGH-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311740;MM311740;C=CCC1=CC(=O)C(=C)C1;YIWPRGFCXHGWDQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311741;MM311741;C=CC#CC(O)(CO)CO;UZZPFOXLIZOLAV-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311742;MM311742;C=C1CC(CC=O)=CC1=O;GUHKEZXWHWOCOB-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311743;MM311743;O=CC#CC(O)(CO)CO;FVPJIIGVWLXVEJ-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311744;MM311744;C=C1CC(CC#N)=CC1=O;KEDBLEWAOXPGEQ-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311745;MM311745;N#CC#CC(O)(CO)CO;BARXSOMBXOSCCP-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311746;MM311746;C=CCC1=CC(=C)C(=O)C1;UNKHHSGQOIRZLR-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311747;MM311747;C=CC#CC(O)(CO)CF;MWWBGVQGXKUQGI-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311748;MM311748;C=C1C=C(CC#N)CC1=O;VATWSEXUYKNZNQ-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311749;MM311749;O=CC#CC(O)(CF)CF;JFCSSLWSNQIRAD-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311750;MM311750;C=CCC1=CC(=O)C(=O)C1;BOOZHTMGEAUEJU-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311751;MM311751;C=CC#CC(F)(CC)CN;GKUVKQLWJJXXLG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311752;MM311752;N#CCC1=CC(=O)C(=O)C1;CHNZYLMBDCDWKA-UHFFFAOYSA-N;135.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311753;MM311753;CCC(F)(C#CC=O)CO;OKFLPUQMHNTCTR-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311754;MM311754;C=C1C=C(NC=O)CC1=C;JLVKKUHZPXTBKX-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311755;MM311755;CCC(F)(C#CC#N)CF;BEUJAWVQABMLEP-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311756;MM311756;C=C1CC(NC=N)=CC1=O;JFTIZKKZXKWDRE-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311757;MM311757;N#CC#CC(F)(CO)CO;ATHNEKZSNCDKAR-UHFFFAOYSA-N;143.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311758;MM311758;C=C1C=C(NC=N)CC1=O;CMIXMOAJRUROMW-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311759;MM311759;N#CC#CC(F)(CO)CF;LISPJXDUINFEGL-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311760;MM311760;N=CNC1=CC(=O)C(=O)C1;AVSLSNUBURHYON-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311761;MM311761;CCC(C)(C#CC=O)NC;PCHVPWKBIPXJEP-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311762;MM311762;CCC(=CC(=O)NC)CC;HZJPZYUFSFDCRU-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311763;MM311763;C=CC#CC(C)(CC)OC;ZISHJNQJCMFEHS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311764;MM311764;CCC(C)(C#CC=O)OC;KTBOIKLMZFMARY-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311765;MM311765;N#CC(C=O)NCC(F)F;OZULRXCBUPDUSI-UHFFFAOYSA-N;148.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311766;MM311766;COC(C)(C#CC#N)CO;UUMUHYWGZSSDQD-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311767;MM311767;C=COC1=CC(=C)C(=C)C1;JXPSBQAJRICQOS-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311768;MM311768;C=CC#CC(C)(OC)OC;ZJUIIRUXOHDDAL-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311769;MM311769;C=COC1=CC(=O)C(=C)C1;PUNONZDWEAPCAG-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311770;MM311770;COC(C)(C#CC=O)OC;KUKFRWFXCXTDAR-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311771;MM311771;C=COC1=CC(=C)C(=O)C1;SGOPSTHUJIXMHE-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311772;MM311772;COC(C)(C#CC#N)OC;FXMDTSMEYQJVAI-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311773;MM311773;C=CCC1=CC(=C)C(=N)N1;ZUSGXLCLCSCOTM-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311774;MM311774;C#CC#CC(C)(CC)CC;XWUCSYHXZXCHNR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311775;MM311775;C=C1C=C(CC#N)NC1=N;PTBNOOCJKLSENX-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311776;MM311776;C#CC#CC(C)(CN)CN;DHYLSBMDSSUCCY-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311777;MM311777;CNN=CC#CC(F)CF;CEZUZMBOBNEKEI-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311778;MM311778;C#CC#CC(C)(CF)CF;OXEKMHRZHVUCMO-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311779;MM311779;CNC=C(C#N)OCC=O;RBQAHEZZFOIBFF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311780;MM311780;C#CC#CC(N)(CC)CC;NPUWQWFYPHIAQL-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311781;MM311781;C=CCC1=CC(=C)C(=O)N1;IGWONNQFERGYNQ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311782;MM311782;C#CC#CC(N)(CC)CO;VIQDKTCGHJWFCF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311783;MM311783;C=C1C=C(CC#N)NC1=O;MPYPRSVVCDNFOA-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311784;MM311784;C#CC#CC(O)(CC)CN;UGOPYEGLYUIKPP-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311785;MM311785;C=CCC1=CC(=O)C(=O)N1;QYFWKGNAWPWDGT-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311786;MM311786;C#CC#CC(O)(CC)CO;REFRXCPLVCJSIJ-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311787;MM311787;C#CC#CC(O)(CC)CF;GHLYIDDWLJNKAC-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311788;MM311788;N#CCC1=CC(=O)C(=O)N1;XYHBXZKSWSRVCE-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311789;MM311789;C#CC#CC(O)(CN)CO;CKRQPEUCMMXBMM-UHFFFAOYSA-N;139.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311790;MM311790;C=C1C=C(NC=N)NC1=N;NZVITUXKBRFDEU-UHFFFAOYSA-N;136.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311791;MM311791;C#CC#CC(O)(CO)CO;HUGRJUWMQHCUHG-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311792;MM311792;C#CC(C)C(CC)C(N)=O;YXWZISNDFGNNCO-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311793;MM311793;C#CC#CC(C)(CC)NC;ZNMXOSXSTZYVGR-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311794;MM311794;C=CCC1=NC(=C)C(=O)N1;XWTQSMXSTFGEGD-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311795;MM311795;C#CC#CC(C)(OC)OC;ABHBQXAELYQIEY-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311796;MM311796;CNc1nc(=O)ccn1C;FNETZENOXYCAFB-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311797;MM311797;C=CC(C)(C#CCC)CC;ZXBJSAIBQSPHIH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311798;MM311798;CCC1(CCNC=O)CC1;PWZQDMDCNNWDQK-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311799;MM311799;C=CC(C)(C#CCN)CC;VCWYDMGAYXEDPF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311800;MM311800;C=CCC1=NC(=N)C(=O)N1;IUNFMZGPDDOZBV-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311801;MM311801;C=CC(C)(C#CCO)CC;RRGGUUVNZMOOLB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311802;MM311802;N#CCC1=NC(=N)C(=O)N1;RNDFTNNHBPWFTN-UHFFFAOYSA-N;136.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311803;MM311803;C=CC(C)(C#CCF)CC;RROXHASIBNXFGZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311804;MM311804;C=CCC1=NC(=O)C(=O)N1;KGJUQRAXYMEGJT-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311805;MM311805;CCC#CC(C)(C=O)CC;OQAYLWFYYZJVED-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311806;MM311806;N#CCC1=NC(=O)C(=O)N1;CFOFQUZDCGWZOP-UHFFFAOYSA-N;137.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311807;MM311807;CCC#CC(C)(C#N)CC;FGDZDDJUSOERAT-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311808;MM311808;C=CCc1cc(=C)c(=C)o1;HKLZLVQMUZBFMD-UHFFFAOYSA-N;134.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311809;MM311809;CCC(C)(C#CCO)C=O;YYULLLFBLZAOSV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311810;MM311810;CCC(C)(C#N)C#CCO;QLJXFXHYPMXBED-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311811;MM311811;C=c1cc(CC#N)oc1=C;OHVNHKAKRUYCCZ-UHFFFAOYSA-N;133.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311812;MM311812;CCC(C)(C#CCF)C=O;MIVLCIIACSZTLJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311813;MM311813;C=CCC1=CC(=O)C(=C)O1;DBOFTXCNMHBTHA-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311814;MM311814;CCC(C)(C#N)C#CCF;ZQLPGDCDIMEGHE-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311815;MM311815;C=C1OC(CC#N)=CC1=O;MAIRBDWDQLISGC-UHFFFAOYSA-N;135.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311816;MM311816;C=CC(C)(C#CCC)CN;CZRRKJFEPICFBQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311817;MM311817;C=CCC1=CC(=C)C(=O)O1;WGNUKSIPGPUBBO-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311818;MM311818;C=CC(C)(C#CCF)CN;MSOAYLDRVWWKHL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311819;MM311819;C=C1C=C(CC#N)OC1=O;QFVQRHYTDXGQFP-UHFFFAOYSA-N;135.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311820;MM311820;CC1(CCCCO)CO1;RTJOVQJFCKUGFP-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311821;MM311821;C=CCC1=CC(=O)C(=O)O1;PPMYDNHOBRVYLA-UHFFFAOYSA-N;138.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311822;MM311822;C=CC(CC#N)CCO;SQNKEIREANHZEE-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311823;MM311823;N#CCC1=CC(=O)C(=O)O1;BEEGCUWHDBYACO-UHFFFAOYSA-N;137.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311824;MM311824;CCC#CC(C)(C=O)CO;UGKUQJTVORQNFH-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311825;MM311825;C=c1cc(NC=N)oc1=C;VEJVUHHUOSVCED-UHFFFAOYSA-N;136.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311826;MM311826;CC(C#CCO)(C=O)CO;WLCLMJFFGGGQSV-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311827;MM311827;C=CCC1=NC(=N)C(=C)O1;IDCTTWPDSFHUBY-UHFFFAOYSA-N;136.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311828;MM311828;C=CC(C)(C#CCC)CF;LXCXMTBOLLHEHR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311829;MM311829;C=C1OC(CC#N)=NC1=N;XYXPNTXRIXWZFH-UHFFFAOYSA-N;135.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311830;MM311830;C=CC(C)(C#CCN)CF;WWJQOABTUYSNOQ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311831;MM311831;C=CCC1=NC(=O)C(=C)O1;SQXJIZXEMBUHMN-UHFFFAOYSA-N;137.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311832;MM311832;C=CC(C)(C#CCO)CF;NDUZZQRJYUEENO-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311833;MM311833;C=CC(C)(C#CCF)CF;YDODVZMACISTQT-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311834;MM311834;C=C1OC(CC#N)=NC1=O;MYDSVVRWNXUGDQ-UHFFFAOYSA-N;136.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311835;MM311835;CC(C#CCF)(C=O)CF;IFBLNHYWAOQOAB-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311836;MM311836;C=CCC1=NC(=N)C(=O)O1;IPMYHOCOLDODSD-UHFFFAOYSA-N;138.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311837;MM311837;CC(C#N)(C#CCF)CF;DEWODDDSFUQFQN-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311838;MM311838;N#CCC1=NC(=N)C(=O)O1;BEXNOXGOABBMCT-UHFFFAOYSA-N;137.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311839;MM311839;C=CC(N)(C#CCC)CC;DYWUXXLYOTZVAB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311840;MM311840;C#CCC1=CC(=C)C(=C)C1;CUNNCTMXPDQZCU-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311841;MM311841;C=CC(N)(C#CCF)CC;WUGBORBPTIKBKM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311842;MM311842;C#CCC1=CC(=O)C(=C)C1;RFMYDRSQPJRAIR-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311843;MM311843;C=CC(O)(C#CCC)CC;NYZBHJRFPWQIQP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311844;MM311844;C#CCC1=CC(=C)C(=O)C1;GGFCAIDLRIYOQR-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311845;MM311845;C=CC(O)(C#CCF)CC;SZBMWDYWCXLBDM-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311846;MM311846;C#CCC1=CC(=O)C(=O)C1;KYJSVAONXVKNKF-UHFFFAOYSA-N;134.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311847;MM311847;C=CC(O)(C#CCN)CN;BVGQCURDHJNQOB-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311848;MM311848;C#CCC1=CC(=C)C(=N)N1;BXWVSVMKBOKYIG-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311849;MM311849;O=CC(O)(C#CCO)CO;DAKICFAKBIOPRK-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311850;MM311850;CNc1[nH]cc(C#N)c1C;UHOOIEYGGSXSPJ-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311851;MM311851;N#CC(O)(C#CCO)CO;GQQCMTNBPJXLLB-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311852;MM311852;C#CCC1=CC(=C)C(=O)N1;XSLUKKOYHJJFBF-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311853;MM311853;C=CC(O)(C#CCF)CF;WLQMBGIRKBWDIW-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311854;MM311854;C#CCC1=CC(=O)C(=O)N1;IUTCGUSUUIMMDQ-UHFFFAOYSA-N;135.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311855;MM311855;CCC#CC(O)(C#N)CF;DCSMBFSHGOGBAO-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311856;MM311856;O=CC(O)(C#CCF)CF;MYZXSJMAZGXLNO-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311857;MM311857;C#CCC1=NC(=C)C(=N)N1;GBCBDNNACFMWIJ-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311858;MM311858;C=CC(F)(C#CCN)CC;MORDVSXNNDHHRO-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311859;MM311859;C#CCC1=NC(=C)C(=O)N1;QBJHKXYXRAHLCC-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311860;MM311860;C=CC(F)(C#CCO)CC;UOPZMSOUCVNOMZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311861;MM311861;CC1CC1CCCNC=O;MBWHDFSVNCOPNK-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311862;MM311862;C=CC(F)(C#CCF)CC;WBOJDGGJIYCXFV-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311863;MM311863;C#CCC1=NC(=N)C(=O)N1;JBEZLXUBYPPAAJ-UHFFFAOYSA-N;135.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311864;MM311864;CCC(F)(C#CCF)C=O;KAHFLXMWPHVVOT-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311865;MM311865;C#CCC1=NC(=O)C(=O)N1;METNJVVRENGGRK-UHFFFAOYSA-N;136.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311866;MM311866;C=CC(F)(C#CCF)CO;PSPSYJLMXYXLTA-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311867;MM311867;C#CCc1cc(=C)c(=C)o1;SZEDJCZEMIVSRU-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311868;MM311868;CCC#CC(F)(C=O)CO;VEMBDGLCMZPRPJ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311869;MM311869;C#CCC1=CC(=O)C(=C)O1;AINWFYBHHUNHQT-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311870;MM311870;CCC#CC(F)(C#N)CO;MBVRNEDDWVXTSN-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311871;MM311871;C#CCC1=CC(=C)C(=O)O1;FTZGBJZQZXMXJN-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311872;MM311872;N#CC(F)(C#CCO)CO;UGQUPFUBXACYIJ-UHFFFAOYSA-N;143.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311873;MM311873;C#CCC1=CC(=O)C(=O)O1;CSGTYZGMDQUTPV-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311874;MM311874;O=CC(F)(C#CCF)CO;CLDSBVFHYBGQLF-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311875;MM311875;C#CCC1=NC(=N)C(=C)O1;MKOCDCNUOOKSDI-UHFFFAOYSA-N;134.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311876;MM311876;C=CC(F)(C#CCO)CF;MHQLNIWMDQGBQZ-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311877;MM311877;C#CCC1=NC(=O)C(=C)O1;QHXVRRHFGBQJNZ-UHFFFAOYSA-N;135.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311878;MM311878;C=CC(C)(C#CCC)NC;CTPRMRCOAGIHNS-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311879;MM311879;C#CCC1=NC(=N)C(=O)O1;YTCQYHYTAGBNJA-UHFFFAOYSA-N;136.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311880;MM311880;C=CC(C)(C#CCF)NC;KTNUTZRCYOBXLC-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311881;MM311881;CCC#CC(C)(C#N)NC;PTAOTISJAAJEGC-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311882;MM311882;C#CCC1=NC(=O)C(=O)O1;DZBTWUXHHQINER-UHFFFAOYSA-N;137.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311883;MM311883;C=CC(C)(C#CCC)OC;PZOULALDOMLFLR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311884;MM311884;CC=CC1=CC(C)C(C)C1;OEBGIQAKXPHKDC-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311885;MM311885;C=CC(C)(C#CCO)OC;QNEQDEVVCZFGOP-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311886;MM311886;CC=CC1=CC(N)C(C)C1;JOWGSKUNQMDKSS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311887;MM311887;C=CC(C)(C#CCF)OC;QRNDETBLTPNKCE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311888;MM311888;CC1C(C)C1CCNC=O;OAFRUSVHRSHWRE-UHFFFAOYSA-N;141.21;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311889;MM311889;CCC#CC(C)(C=O)OC;QJRKTNWRBPIIHK-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311890;MM311890;CC=CC1=CC(F)C(C)C1;JMXKAUGXZAWWGH-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311891;MM311891;CCC#CC(C)(C#N)OC;CFIZBYFHSIQKDD-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311892;MM311892;CC=CC1=CC(C)C(N)C1;PTIGSWZEUXWALN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311893;MM311893;COC(C)(C#CCF)C=O;DPCIEORGMOOCRR-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311894;MM311894;CC=CC1=CC(N)C(N)C1;KUHTXSWKXGJURA-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311895;MM311895;COC(C)(C#N)C#CCF;UTDMSSWXUIXHNE-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311896;MM311896;CC=CC1=CC(O)C(N)C1;XPZXZMRDQHFPFC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311897;MM311897;C=CC#CC(C)(C=C)CC;SMUPQYLBDVOBSX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311898;MM311898;CC=CC1=CC(F)C(N)C1;OANSNDWYBULWCW-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311899;MM311899;C=CC(C)(C#CC=O)CC;YLOSQXWAEJFWNI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311900;MM311900;O=c1ccoc(C2CN2)c1;ATJXBQQBXKBFFP-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311901;MM311901;C=CC(C)(C#CC#N)CC;GNVKCHFJRXMVHJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311902;MM311902;CC=CC1=CC(O)C(O)C1;HWSDYCMIMOTQJX-UHFFFAOYSA-N;140.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311903;MM311903;C=CC#CC(C)(C#N)CC;LTJGUQRCKOACJV-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311904;MM311904;CC=CC1=NN(C)C(C)C1;XOGZHNLBFCTUMX-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311905;MM311905;CCC(C)(C#N)C#CC=O;CKLZBIIOQVANAI-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311906;MM311906;C=CC#CC(C)(C=C)CN;LJEGLHDMVOJXLZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311907;MM311907;CC=CC1=CC(C)N(C)C1;HJQLRVCMZAQMSG-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311908;MM311908;C=CC#CC(C)(C=C)CF;JTWAZJRJXNJFOJ-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311909;MM311909;C=C1C=C(C=CC)CC1C;AWFSLUXJOWLZBF-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311910;MM311910;C=CC(C)(C#CC=O)CF;QIUJWAOMGSGQLF-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311911;MM311911;CC=CC1=CC(=O)C(C)C1;QEGHAJYPQZPAKS-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311912;MM311912;CC(C#N)(C#CC=O)CF;PVWLKUFDCQCHLB-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311913;MM311913;C=C1C=C(C=CC)CC1N;FQUBRWOMPJYLPL-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311914;MM311914;C=CC#CC(N)(C=C)CC;GXMKPXGBXLOBOI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311915;MM311915;CCCC(C)(C)NC=O;HYLRVJFTWMYDEM-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311916;MM311916;C=CC(O)(C#CC=O)CC;RZUCXZBXIOXUQE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311917;MM311917;C=C1C=C(C=CC)CC1F;HEEGJVSOALLCFN-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311918;MM311918;CCC(O)(C#CC=O)C=O;FDZQWCGOHVNNFL-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311919;MM311919;C=C1C=C(C=NN)CC1C;MCZFXURQTNYZAF-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311920;MM311920;CCC(O)(C#CC#N)C=O;GZZGSFGTPOPENU-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311921;MM311921;C=C1C=C(C=CC)OC1C;NDQVDHALTPNXNJ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311922;MM311922;O=CC#CC(O)(C=O)CO;WOKLRAKTYACBGG-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311923;MM311923;CC=CC1=CC(=N)N(C)C1;UYSUWKWJHKLYLB-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311924;MM311924;N#CC#CC(O)(C=O)CO;ZWCDFYOZPDEFTJ-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311925;MM311925;CC=CC1=CC(=O)N(C)C1;CLBBVIHXZQHWQH-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311926;MM311926;N#CC#CC(O)(C#N)CO;DFAQGKJGRBHCGL-UHFFFAOYSA-N;136.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311927;MM311927;CC=CC1=CC(=N)N(N)C1;ZCFJJFBODASUCK-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311928;MM311928;N#CC#CC(O)(C=O)CF;VRBFHTLJFVWQET-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311929;MM311929;CC=CC1=CC(=O)N(N)C1;JSLCGQLRAGQMBP-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311930;MM311930;C=CC(F)(C#CC=O)CC;DDXPMVZAAQICGC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311931;MM311931;C=CC(F)(C#CC=O)CO;LNYXMZCRQSDWPE-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311932;MM311932;CC=CC1=CC(=O)N(O)C1;GWQNWPHHWQFCSH-UHFFFAOYSA-N;139.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311933;MM311933;C=CC(F)(C#CC#N)CO;BOHDDPFTJKVHNY-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311934;MM311934;CC=Cc1cc(=N)n(C)o1;MOUSTMIAXIOLII-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311935;MM311935;C=CC#CC(F)(C#N)CO;ZETYZVAGMDLOLJ-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311936;MM311936;CC=Cc1cc(=O)n(C)o1;BKGKZNVKDBVZMP-UHFFFAOYSA-N;139.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311937;MM311937;O=CC#CC(F)(C=O)CF;IXXIZPCPFFDVRW-UHFFFAOYSA-N;146.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311938;MM311938;CC=Cc1cc(=O)n(N)o1;AYSPCHWOEWELPB-UHFFFAOYSA-N;140.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311939;MM311939;C=CC#CC(C)(C=C)NC;BQYBTRBLWJNEMY-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311940;MM311940;C=CC(C)(NC=O)C(=O)O;LPIDMSAOGFGHHK-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311941;MM311941;C=CC#CC(C)(C#N)NC;BAPWEZUNUJRLOY-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311942;MM311942;CC=Cc1nc(=O)n(C)o1;IDMOAZVFGNVKFU-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311943;MM311943;C=CC(C)(C#CC=O)OC;ALFIWXVEDKUTIT-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311944;MM311944;CC=Cc1nc(=O)n(N)o1;QTKXOMZDLOEFNP-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311945;MM311945;C=CC#CC(C)(C=O)OC;GPZDSVILEXMACX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311946;MM311946;C=C1CC(C=CC)=CC1C;IUXPDRFGZCOBRP-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311947;MM311947;C=CC#CC(C)(C#N)OC;VUYJGBMZRCTWCX-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311948;MM311948;C=C1CC(C=CC)=CC1N;PKURHMZNYQDHMP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311949;MM311949;COC(C)(C#CC=O)C=O;YKBHHEDPTLQJDM-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311950;MM311950;C=C(C)CC(C)NC=O;OHEVVGCXXFVDAX-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311951;MM311951;C#CC#CC(C)(C=C)CC;JKJQUVWALPPLSV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311952;MM311952;C#CC#CC(C)(C#N)CC;XDDSHCYXPOFQSG-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311953;MM311953;C=C1CC(C=CC)=CC1F;MPZKXHDTIQMAIB-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311954;MM311954;C#CC#CC(C)(C=C)CN;RRETZKHFCMRVAW-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311955;MM311955;CC=CC1=CC(C)C(=O)C1;AULMHKQBBWCUBW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311956;MM311956;C#CC#CC(C)(C=C)CF;WLRFWYWPORDCQL-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311957;MM311957;CC=CC1=CC(O)C(=O)C1;PEIFVFYPWWSIOA-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311958;MM311958;C#CC#CC(C)(C=O)CF;MSQTXOKAKUHUQX-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311959;MM311959;CC=CC1=CC(F)C(=O)C1;NUCUBMAYFHLUHS-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311960;MM311960;C#CC#CC(C)(C#N)CF;WFFRYKDSSSXOLG-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311961;MM311961;CC(=CCC(C)O)CO;OLXQJIVABOAQFH-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311962;MM311962;C#CC#CC(N)(C=C)CC;NPWFQGYXLATNPT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311963;MM311963;CC=CC1=CC(C)C(=N)N1;ZXDQOGJSQKCTTC-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311964;MM311964;C#CC#CC(O)(C=C)CO;DFNWMCKJJRCSLU-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311965;MM311965;CC=CC1=CC(N)C(=N)N1;SHLVARZZALLCAG-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311966;MM311966;C#CC#CC(O)(C=C)CF;QDLAZDXMJDUENU-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311967;MM311967;CC=CC1=CC(O)C(=N)N1;IVXPTEFRHBFVKI-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311968;MM311968;C#CC#CC(F)(C=C)CO;RSMDUTMZYGRLJS-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311969;MM311969;CC=CC1=CC(C)C(=O)N1;NSEIDRUZHWBCDJ-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311970;MM311970;C#CC#CC(C)(C#N)NC;UFYQRZRMHAUSLF-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311971;MM311971;CC=CC1=CC(O)C(=O)N1;BQDHRPPGHHMTJX-UHFFFAOYSA-N;139.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311972;MM311972;C#CC#CC(C)(C=O)OC;HJHIIWYXBHRJNP-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311973;MM311973;C=C1N=C(C=CC)NC1C;RJTFDYVLZQPQTR-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311974;MM311974;C#CC#CC(C)(C#N)OC;IQGNWNXZGCSMRU-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311975;MM311975;C=C1NC(C=CN)=NC1C;DSHIKOIZDOFMPL-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311976;MM311976;C#CC(C)(C#CCC)CC;PWFKLNLAWKOEDR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311977;MM311977;C=C1OC(C=CC)=CC1C;OCDBUFARYNVCRC-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311978;MM311978;C#CC(C)(C#CCN)CC;BRIPFAATGJWANU-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311979;MM311979;C#CC(C)(C#CCO)CC;IUIWYSHUVOJSBC-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311980;MM311980;CC=CC1=CC(O)C(=O)O1;NGLVLWNWZRGOJL-UHFFFAOYSA-N;140.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311981;MM311981;C#CC(C)(C#CCF)CC;YFNXFFNRCWFMPH-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311982;MM311982;CC=CC1=CN(C)C(=N)C1;NTUKCQJVAVNIOI-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311983;MM311983;C#CC(C)(C#CCC)CN;RXMJUXPKYRGFAF-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311984;MM311984;CC=CC1=CN(N)C(=N)C1;YMXRMTBFSMZNLY-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311985;MM311985;C#CC(C)(C#CCN)CN;WSIZBLNNYWHMSZ-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311986;MM311986;CC=CC1=CN(O)C(=N)C1;JZTILWPBMIMSMW-UHFFFAOYSA-N;138.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311987;MM311987;C#CC(C)(C#CCF)CN;NLOGIYUJRHBJFC-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311988;MM311988;CC=CC1=CN(C)C(=O)C1;NGUFANCYEVUGGI-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311989;MM311989;C#CC(C)(C#CCC)CO;LRIFFAPJMPROAO-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311990;MM311990;CC=CC1=CN(O)C(=O)C1;NVHIMAXPJMXTKO-UHFFFAOYSA-N;139.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311991;MM311991;C#CC(C)(C#CCO)CO;LGAVOBOLMZFSMW-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311992;MM311992;CN1C=C(C=NN)CC1=N;GMIBEGZXDJVUOA-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311993;MM311993;C#CC(C)(C#CCF)CO;GRVQDINMWVQYMY-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311994;MM311994;N=C1CC(C=NN)=CN1N;RWPCMUUJTDZIAS-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311995;MM311995;C#CC(C)(C#CCN)CF;DHTUHSODVHBRHV-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311996;MM311996;C#CCCCCC(N)=O;WEGGYBNXYQHSQO-UHFFFAOYSA-N;125.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311997;MM311997;C#CC(C)(C#CCO)CF;UJFACEXDXWEZLA-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311998;MM311998;NN=CC1=CN(N)C(=O)C1;YZBXBEYQBVMYKP-UHFFFAOYSA-N;140.15;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM311999;MM311999;C#CC(C)(C#CCF)CF;VZWWAHSKHHUTEK-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312000;MM312000;CC=CCC(C)NC=O;FRDWJKVBAGCFKA-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312001;MM312001;C#CC(N)(C#CCO)CN;DWZVZHFDKHNRIS-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312002;MM312002;CN1NC(=CC=N)CC1=N;QMKYWZNZJFCHIZ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312003;MM312003;C#CC(N)(C#CCF)CN;ZCKZNKBAZDXDBK-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312004;MM312004;C#CC(N)(C#CCN)CO;WLVQCFMQKFJIDE-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312005;MM312005;CC=Cc1cn(C)c(=O)[nH]1;GDEROLPDNZPBRZ-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312006;MM312006;C#CC(N)(C#CCN)CF;FRGDFEVHKBHCNA-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312007;MM312007;CC=Cc1cn(N)c(=O)[nH]1;IIYQFQOEGYQULH-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312008;MM312008;C#CC(O)(C#CCC)CC;RFEHCNAQEVEYQR-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312009;MM312009;CC=Cc1cn(C)c(=N)o1;XKYVBXZBIRMHJV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312010;MM312010;C#CC(O)(C#CCF)CC;GABQSPBQAUWVIW-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312011;MM312011;Cc1cc(C=NN)c[nH]1;MFRLNCZNZMXONN-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312012;MM312012;C#CC(O)(C#CCC)CN;PNNTYPKKPATMCX-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312013;MM312013;CC=Cc1cn(C)c(=O)o1;HPKQIFKGVTZVSO-UHFFFAOYSA-N;139.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312014;MM312014;C#CC(O)(C#CCN)CN;AAHBXXPJGGMHDO-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312015;MM312015;CC=Cc1cn(N)c(=O)o1;XUAGGDSZFBSKGP-UHFFFAOYSA-N;140.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312016;MM312016;C#CC(O)(C#CCO)CN;JGZXLFBWNFIDGT-UHFFFAOYSA-N;139.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312017;MM312017;C=CCNN=C(N)C(=O)O;IQDCCTXWQRBULY-UHFFFAOYSA-N;143.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312018;MM312018;C#CC(O)(C#CCF)CN;YUCJNCKJHQIGEW-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312019;MM312019;CC=Cc1nn(C)c(=N)o1;OLULRTJFPQAUAH-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312020;MM312020;C#CC(O)(C#CCN)CO;IURKKHBCMWGEMA-UHFFFAOYSA-N;139.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312021;MM312021;CC=Cc1nn(N)c(=N)o1;YSJMLESNWPQDDT-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312022;MM312022;C#CC(O)(C#CCO)CO;UFUWPEVMBXSYNV-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312023;MM312023;Cc1c[nH]c(C=NN)c1;PLDGIXIWTYHYHH-UHFFFAOYSA-N;123.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312024;MM312024;C#CC(O)(C#CCF)CF;WAEXJQPYHQUURK-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312025;MM312025;CC=Cc1nn(C)c(=O)o1;CXJANWLPRZUSRD-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312026;MM312026;C#CC(F)(C#CCO)CC;JTNCEIBORFBSHB-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312027;MM312027;C#CC(F)(C#CCF)CC;SXGKNTPTJXQGBV-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312028;MM312028;CC=Cc1nn(N)c(=O)o1;OFFZYXQYAKJOIZ-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312029;MM312029;C#CC(F)(C#CCN)CN;LXYGZMLSTDZIKP-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312030;MM312030;CC1=CC(=CO)N=C1C#N;KPJXZDWVIKYIQS-UHFFFAOYSA-N;134.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312031;MM312031;C#CC(F)(C#CCC)CO;VVLVLJAKORVBAD-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312032;MM312032;C=C1C=C(C=CC)CC1=C;DVZMYXOSWBNNHC-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312033;MM312033;C#CC(C)(C#CCC)OC;RHZWVLFXVUVDQS-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312034;MM312034;C=C1CC(C=CC)=CC1=O;NFICGLNAAWGCOV-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312035;MM312035;C#CC(C)(C#CCN)OC;JAIUOFZORTYJTB-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312036;MM312036;C=C1C=C(C=CC)CC1=O;JYZWGXRFPNOSGX-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312037;MM312037;C#CC(C)(C#CCO)OC;WKCOSVLHRMYDRO-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312038;MM312038;CC=CC1=CC(=O)C(=O)C1;BUGGPEBKMSNGHK-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312039;MM312039;C#CC(C)(C#CCF)OC;XRAYTCZWMNLCON-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312040;MM312040;CCC1=NOC(C=O)C1;PARGNNKYDHLFJT-UHFFFAOYSA-N;127.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312041;MM312041;C#CC(C)(C#CC=C)CC;ZGIHHTHCAWVONE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312042;MM312042;C=C1C=C(C=CC)NC1=N;MCEKIXWQMAFLON-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312043;MM312043;C#CC(C)(C#CC=O)CC;LRWKFDVWEFBERA-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312044;MM312044;CNN=COCCC=O;SSONPBPKSRIOOO-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312045;MM312045;C#CC(C)(C#CC#N)CC;GTFWNNLZFXQOOU-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312046;MM312046;C=C1C=C(C=CC)NC1=O;OZIGCZLCYLLJEM-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312047;MM312047;C#CC(C)(C#CC=C)CN;LHFXKZGSDJLRAR-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312048;MM312048;CC=CC1=CC(=O)C(=O)N1;MEXBBLFCZAQRLW-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312049;MM312049;C#CC(C)(C#CC=C)CO;JVTILLJVEYXXHG-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312050;MM312050;C=c1cc(C=CC)oc1=C;KNQHKNHXVLYRLS-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312051;MM312051;C#CC(C)(C#CC=C)CF;GSTVVWFXQBAMQG-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312052;MM312052;C#CC(C)(C#CC=O)CF;QDASJBJOSCLRMO-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312053;MM312053;C=C1C=C(C=CC)OC1=O;UYHNBOCDGBBQCM-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312054;MM312054;C#CC(C)(C#CC#N)CF;COAYTQPLENSKQD-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312055;MM312055;CC#CC1=CC(C)C(C)C1;OALHCBHTXYLIEX-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312056;MM312056;C#CC(O)(C#CC=C)CC;LWQWQBQBSRCGFS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312057;MM312057;CC#CC1=CC(N)C(C)C1;JRBDZGITNYQCJS-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312058;MM312058;C#CC(O)(C#CC#N)CC;KQJINZQOUNRGGN-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312059;MM312059;N=CN(N)C(=O)C1CN1;DLHUTFXDIDNGQJ-UHFFFAOYSA-N;128.14;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312060;MM312060;C#CC(O)(C#CC=C)CF;QLDMAXMJYXMBQM-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312061;MM312061;CC#CC1=CC(F)C(C)C1;MMIACKTZRXXKGT-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312062;MM312062;C#CC(F)(C#CC=O)CC;MVJOEKRZVXJZEX-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312063;MM312063;CC#CC1=CC(C)C(N)C1;HJGPNKBTDWMJFW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312064;MM312064;C#CC(F)(C#CC#N)CO;RSTBIIOLUGAIEQ-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312065;MM312065;CC#CC1=CC(N)C(N)C1;GQHZDPJSHUIAOH-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312066;MM312066;C#CC(F)(C#CC=O)CF;GCQZPQJKWPJJFD-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312067;MM312067;CC#CC1=CC(O)C(N)C1;ORFYYECMVNGLTG-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312068;MM312068;C#CC(C)(C#CC=C)OC;MWDSKHUVYPARLZ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312069;MM312069;CC#CC1=CC(F)C(N)C1;XMEGYKWZJVBZLM-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312070;MM312070;C#CC#CC(C)(C#C)CC;BTAZAWPKSMSKBN-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312071;MM312071;CC(C)(C=NN)CC(N)=O;YFSULBMFMNZPOS-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312072;MM312072;C#CC#CC(C)(C#C)CN;RYHDJJOXGNISOI-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312073;MM312073;CC#CC1=CC(N)C(O)C1;VHQGCKUJSMCYNP-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312074;MM312074;C#CC#CC(C)(C#C)CO;YBGWUZQVKMVHPH-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312075;MM312075;CC#CC1=CC(O)C(O)C1;HSFDRJBZSVQMGB-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312076;MM312076;C#CC#CC(C)(C#C)CF;ARQHWJXXCYEQAG-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312077;MM312077;C#CC#CC(O)(C#C)CC;ATONCZUSJLBQQZ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312078;MM312078;CC#CC1=CC(F)C(O)C1;MTKSHJPDPOZPEP-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312079;MM312079;C#CC#CC(C)(C#C)OC;GPONPWVBBLLCPJ-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312080;MM312080;CC#CC1=CC(C)C(F)C1;MZTBXQMVFPWKRB-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312081;MM312081;C=CC(C)(C#CCC)C=C;YUYJXTYUWKVPDZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312082;MM312082;CC#CC1=CC(N)C(F)C1;LTRRRXGMIPYNGJ-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312083;MM312083;C=CC(C)(C#CCN)C=C;OWBRKIZYKIMHDO-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312084;MM312084;CC#CC1=CC(O)C(F)C1;MQYRCNSSVAWLTC-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312085;MM312085;C=CC(C)(C#CCO)C=C;QMXJIHPBTKWNMC-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312086;MM312086;CC#CC1=CC(F)C(F)C1;IEDJJQMXHTYAOU-UHFFFAOYSA-N;142.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312087;MM312087;C=CC(C)(C#CCF)C=C;OJMTVRXHNMBELQ-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312088;MM312088;CC#CC1=CC(C)C(C)O1;ILUHJVKXIRKPEF-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312089;MM312089;C=CC(C)(C#CCC)C=O;JDDZTFFIKXBQSF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312090;MM312090;CC#CC1=CC(N)C(C)O1;NJHUHJJDSYRNKL-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312091;MM312091;C=CC(C)(C#N)C#CCC;SSQOLVKVDAPNBT-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312092;MM312092;CC#CC1=CC(O)C(C)O1;YNBPZRCSYZJLCE-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312093;MM312093;C=CC(C)(C#N)C#CCO;FRFBGKBRMUGXAA-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312094;MM312094;CC#CC1=NN(C)C(C)C1;AOLGHUIIFQQBPH-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312095;MM312095;C=CC(C)(C#CCF)C=O;IWVDYQXHIDHSBU-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312096;MM312096;CC#CC1=CC(C)N(C)C1;CVAHGGAUNGUIAU-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312097;MM312097;C=CC(C)(C#N)C#CCF;YGEHFJCQFWOULG-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312098;MM312098;C=C1C=C(C#CC)CC1C;DUCKGJSVJSYEOA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312099;MM312099;CCC#CC(C)(C#N)C=O;OJNAEZFQMIFSEW-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312100;MM312100;CCC#CC(C)(C#N)C#N;FSJYIHSBQBSYCY-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312101;MM312101;CC#CC1=CC(=O)C(C)C1;OWAPDKNNVLMVRE-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312102;MM312102;CC(C#N)(C#CCO)C=O;KGKDSLXDCNEDMF-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312103;MM312103;C=C1C=C(C#CC)CC1N;ULZVJBLWQOVISU-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312104;MM312104;CC(C#CCF)(C=O)C=O;BXZSSORTDVRAPG-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312105;MM312105;CNC(=O)C=CC(C)(C)C;ZCOSFRHJMDLMTN-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312106;MM312106;CC(C#N)(C#CCF)C=O;OBAUUDWONRKOFD-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312107;MM312107;CC#CC1=CC(=O)C(O)C1;JAUBBQZAJIVGJI-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312108;MM312108;C=CC(O)(C#CCC)C=C;VYSTXMPFRUNKQO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312109;MM312109;C=C1C=C(C#CC)CC1F;DYFRZDASNBFMNG-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312110;MM312110;C=CC(O)(C#CCN)C=C;VDVUWJWGLNLDRA-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312111;MM312111;CC#CC1=CC(=O)C(F)C1;VUTNHWHUTDPCLT-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312112;MM312112;C=CC(O)(C#CCF)C=C;ONGCMJICDDTSNI-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312113;MM312113;CC#Cc1cc(O)c(C)[nH]1;HWMZCKHLLOHGEY-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312114;MM312114;C=CC(O)(C#CCC)C=O;WSEVKHCOTIKCEA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312115;MM312115;C=C(CNC=O)C(C)(C)C;OKWGAXAEDKBMPL-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312116;MM312116;C=CC(O)(C#N)C#CCC;IWZBJMGZNCADBH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312117;MM312117;CC#CC1=NC(C)C(=O)N1;IAKGCKJLQCLEOZ-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312118;MM312118;C=CC(O)(C#N)C#CCF;OJJIDTKUCBAWGT-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312119;MM312119;C=C1C=C(C#CC)OC1C;NQTMKFCIEOTIOC-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312120;MM312120;CCC#CC(O)(C=O)C=O;ZMOBVGPGXWPDOE-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312121;MM312121;CC#CC1=CC(=N)N(C)C1;WIKDOZXRNAQDCL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312122;MM312122;CCC#CC(O)(C#N)C=O;FYTUMXMTLMILLQ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312123;MM312123;CC#CC1=CC(=O)N(C)C1;KSESFIAEMUTHSE-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312124;MM312124;C=CC(F)(C#CCN)C=C;NMZZZZCPOCYBJB-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312125;MM312125;C=CC(F)(C#CCO)C=C;ZCFCKTYLSJDLOL-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312126;MM312126;CC#CC1=CC(=N)N(N)C1;MXDWZSCYAJRXGD-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312127;MM312127;C=CC(F)(C#CCF)C=C;KKNMCTVELJVZHO-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312128;MM312128;CC#CC1=CC(=O)N(N)C1;UUDZTMWGWQPXCD-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312129;MM312129;C=CC(F)(C#CCF)C=O;VVGLJNJRTJHXQL-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312130;MM312130;O=C(O)CC=NO;XTKKYEXSKPSWOJ-UHFFFAOYSA-N;103.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312131;MM312131;CCC#CC(F)(C=O)C=O;BKBCLBUZAQTZJU-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312132;MM312132;N=c1nc(O)nnn1O;HBJYRMNSMGQJNN-UHFFFAOYSA-N;129.08;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312133;MM312133;CCC#CC(F)(C#N)C#N;NDIVUGYQKFETGI-UHFFFAOYSA-N;136.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312134;MM312134;C=NNc1cc(O)on1;JUTQISOYFNXHBV-UHFFFAOYSA-N;127.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312135;MM312135;N#CC(F)(C#CCO)C=O;OMKCAAHKIVAMGU-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312136;MM312136;CC#Cc1cc(=N)n(C)o1;KZDKDOKDMDAZQU-UHFFFAOYSA-N;136.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312137;MM312137;O=CC(F)(C#CCF)C=O;IQGOIXBZEFJABD-UHFFFAOYSA-N;146.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312138;MM312138;CC#Cc1cc(=O)n(C)o1;RUBNDNWRYUAXQI-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312139;MM312139;N#CC(F)(C#CCF)C=O;ZGNLMFYGMPHSKP-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312140;MM312140;CC#Cc1cc(=O)n(N)o1;ZMEPREGNXNLCBN-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312141;MM312141;N#CC(F)(C#N)C#CCF;MHKXVMFRQIVRAB-UHFFFAOYSA-N;140.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312142;MM312142;C#CC1(C=O)CC1C(=O)O;HQNGYKUXYJMWNU-UHFFFAOYSA-N;138.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312143;MM312143;C=CC#CC(C)(C=C)C=C;YZMQETNJKZKVGL-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312144;MM312144;CC#Cc1nc(=O)n(C)o1;YZYGPKSQTQRXES-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312145;MM312145;C=CC(C)(C#CC=O)C=C;IOUXFSAANGMYJR-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312146;MM312146;CC#Cc1nc(=N)n(N)o1;FIKCBMAVMXVNKL-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312147;MM312147;C=CC(C)(C#CC#N)C=C;HLRSEYHZSHLRLA-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312148;MM312148;C=CC#CC(C)(C=C)C=O;XOTVTJOIUBAUMW-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312149;MM312149;CC#Cc1nc(=O)n(N)o1;MMFPFOUUORUFLX-UHFFFAOYSA-N;139.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312150;MM312150;C=CC#CC(C)(C#N)C=C;ISYKMYTVFZMSGY-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312151;MM312151;CC(C)=NNCCC(N)=O;WJPHJNDWCQSCQH-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312152;MM312152;C=CC(C)(C#N)C#CC=O;LJXTXJSNZMMBFQ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312153;MM312153;C=Cn1nc(O)n(C)c1=O;HOUWKHGRKMKTLB-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312154;MM312154;C=CC(C)(C#CC#N)C=O;GEQFUBSLADUKCW-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312155;MM312155;C=C1CC(C#CC)=CC1C;YEWXBKXSDFCTCY-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312156;MM312156;C=CC#CC(C)(C=O)C=O;JCLWGARAJKVPRU-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312157;MM312157;C=C1CC(C#CC)=CC1N;AMWSPSBRMGUDMT-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312158;MM312158;C=CC#CC(C)(C#N)C=O;FOSOLRPWHXVOIB-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312159;MM312159;C=C1CC(C#CC)=CC1O;OTOVXHGCDPPDOD-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312160;MM312160;CC(C#CC=O)(C=O)C=O;AISYUFGIMXJSKS-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312161;MM312161;C=C1CC(C#CC)=CC1F;WLFBEAYXZGVUJV-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312162;MM312162;CC(C#N)(C#CC=O)C=O;UVRAWEBXEZMMDE-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312163;MM312163;CC#CC1=CC(C)C(=O)C1;AUBQLHIXVABZDM-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312164;MM312164;CC(C#CC#N)(C=O)C=O;WZKANMXUELIHLZ-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312165;MM312165;CC#CC1=CC(O)C(=O)C1;PGKVHYNLEWBPQE-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312166;MM312166;C=CC#CC(O)(C#N)C=C;FPIBQGNQWNBNDI-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312167;MM312167;CC#CC1=CC(F)C(=O)C1;VRZKGJVUAZJWHW-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312168;MM312168;C=CC(O)(C#N)C#CC#N;XLBCBZZKNTWFHE-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312169;MM312169;CC#CC1=CC(C)C(=N)N1;OWSBSNTXGKLHGU-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312170;MM312170;C=CC(F)(C#CC=O)C=C;BYTFEWJDMVTONJ-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312171;MM312171;CC#CC1=CC(N)C(=N)N1;CVPBNFLXBXGADO-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312172;MM312172;C=CC(F)(C#CC=O)C=O;DZINNKUEMHZZBO-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312173;MM312173;CC#CC1=CC(O)C(=N)N1;VLQWTDAENABAMQ-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312174;MM312174;C=CC#CC(F)(C=O)C=O;ZMRIRIJEAIQGOY-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312175;MM312175;C=C(CNC=O)CC(C)C;XJDAENLWCAVCDV-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312176;MM312176;C=CC#CC(F)(C#N)C=O;HHUXYTQBZMARRL-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312177;MM312177;CC#CC1=CC(C)C(=O)N1;MPKMDOPXWZNIJZ-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312178;MM312178;C=CC#CC(F)(C#N)C#N;XJFZNZCDERCHOU-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312179;MM312179;CC#CC1=CC(O)C(=O)N1;HXOXKLSZBLRGKD-UHFFFAOYSA-N;137.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312180;MM312180;O=CC#CC(F)(C=O)C=O;WNZIBNMGLVMTER-UHFFFAOYSA-N;142.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312181;MM312181;CC#CC1=CC(F)C(=O)N1;XAALNJWUNBZVOL-UHFFFAOYSA-N;139.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312182;MM312182;N#CC(F)(C#CC=O)C=O;BOELXAQTLJDRCR-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312183;MM312183;C=C1OC(C#CC)=CC1C;CJSUTAARVLNAFR-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312184;MM312184;N#CC#CC(F)(C=O)C=O;WYLHZEUFXWFJJX-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312185;MM312185;C=C1OC(C#CC)=CC1N;HXIDOKRRVBZZFG-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312186;MM312186;N#CC(F)(C#N)C#CC=O;HAONLGDILBSHQG-UHFFFAOYSA-N;136.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312187;MM312187;C=C1OC(C#CC)=CC1O;AVQKJQKPILGMRM-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312188;MM312188;C#CC#CC(C)(C=C)C=C;QDMPZFWSSOTYEE-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312189;MM312189;C=C1OC(C#CC)=CC1F;YVTIJWRPLSIJPW-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312190;MM312190;C#CC#CC(C)(C=C)C=O;JVWBNVMEQPDFBB-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312191;MM312191;CC#CC1=CC(C)C(=O)O1;XMLHIWSZISSIJF-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312192;MM312192;C#CC#CC(C)(C#N)C=C;OCPZERONLISPDY-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312193;MM312193;CC#CC1=CC(O)C(=O)O1;XADBTZDOMRXSOX-UHFFFAOYSA-N;138.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312194;MM312194;C#CC#CC(C)(C#N)C=O;UQUIMWDZRRNMIT-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312195;MM312195;CC#CC1=CN(C)C(=N)C1;ZECYWTLQTWNGAB-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312196;MM312196;C#CC#CC(F)(C=O)C=O;SOAIMKYHSPQBFB-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312197;MM312197;CC#CC1=CN(N)C(=N)C1;IURRZFFIHOOQAW-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312198;MM312198;C#CC#CC(F)(C#N)C=O;VFSXGRAIFSSFKZ-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312199;MM312199;CC#CC1=CN(C)C(=O)C1;MBSCKAJCPPQYLX-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312200;MM312200;C#CC#CC(F)(C#N)C#N;BKBFCKVMIXGBQB-UHFFFAOYSA-N;132.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312201;MM312201;CC#CC1=CN(N)C(=O)C1;JHFBCRSRYUYVCP-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312202;MM312202;C#CC(C)(C#CCC)C=C;AKSREYOQLBUXGK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312203;MM312203;CC(=CC(C)C)CNC=O;KQGKUUJOFLCIPU-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312204;MM312204;C#CC(C)(C#CCN)C=C;RRIZLCGIHBPUQA-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312205;MM312205;CC#CC1=NN(C)C(=O)C1;XOHLDLYKTYKKPS-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312206;MM312206;C#CC(C)(C#CCO)C=C;XEEWCYMRUPUGDM-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312207;MM312207;CC#Cc1cn(C)c(=N)[nH]1;MEMWJUSNNBLFSX-UHFFFAOYSA-N;135.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312208;MM312208;C#CC(C)(C#CCF)C=C;MYASBOFTLOODLU-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312209;MM312209;CC#Cc1cn(N)c(=N)[nH]1;DPZJOZMMDZSZJD-UHFFFAOYSA-N;136.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312210;MM312210;C#CC(C)(C#CCC)C=O;IHKZTNCPTGYCSY-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312211;MM312211;CC#Cc1cn(C)c(=O)[nH]1;ORBYJKCYPVGVTB-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312212;MM312212;C#CC(C)(C#N)C#CCC;XMXZMAPOSHXLHJ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312213;MM312213;CC#Cc1cn(N)c(=O)[nH]1;DQWHLTBAFWQLJS-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312214;MM312214;C#CC(C)(C#CCF)C=O;ZYZIOMFJLGAXNH-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312215;MM312215;CC#Cc1cn(N)c(=N)o1;SLOMBYYDVRGZJR-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312216;MM312216;C#CC(C)(C#N)C#CCF;NPUGLLYLXUOANY-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312217;MM312217;CON=C(C)OCCC=O;AMLUFRWBABENSR-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312218;MM312218;C#CC(N)(C#CCN)C=C;OXPLPQQURJRRCX-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312219;MM312219;CC#Cc1cn(C)c(=O)o1;DNPYLNKPTUVXCZ-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312220;MM312220;C#CC(O)(C#CCN)C=C;ACLGKPNJUZDUPV-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312221;MM312221;CC#Cc1cn(N)c(=O)o1;RUIFYISNUORJOM-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312222;MM312222;C#CC(O)(C#CCO)C=C;GSMFEHQDOJZKOL-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312223;MM312223;CC#Cc1nn(C)c(=N)o1;JNZXLCYIVVLIKO-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312224;MM312224;C#CC(O)(C#CCC)C=O;RUDOVCBIOCWDKW-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312225;MM312225;CC#Cc1nn(N)c(=N)o1;GFAOUBGTVLXPPR-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312226;MM312226;C#CC(O)(C#N)C#CCC;KFRQBZNMWZIHBZ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312227;MM312227;N#CC=C(N)NN=CCF;QYQPXOYAWYTOBW-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312228;MM312228;C#CC(F)(C#CCC)C=O;FRJZWDBDIITLCT-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312229;MM312229;CC#Cc1nn(C)c(=O)o1;GQKBNNJVVMVYES-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312230;MM312230;C#CC(F)(C#N)C#CCC;MCXUQKMFBBMQNH-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312231;MM312231;CC#Cc1nn(N)c(=O)o1;YGNOMMWHUOXJKT-UHFFFAOYSA-N;139.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312232;MM312232;C#CC(F)(C#CCF)C=O;FFWBBEKTWTZNPN-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312233;MM312233;Cn1nc(O)n(C)c1=O;NWNNZPUYFSACQS-UHFFFAOYSA-N;129.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312234;MM312234;C#CC(F)(C#N)C#CCF;UYYDZPWRZBROFZ-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312235;MM312235;C#CC(C)(C#CC=C)C=C;ITHPRLAAFBODCS-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312236;MM312236;C=C1C=C(C#CC)CC1=C;WSWGKPPCAVSVNY-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312237;MM312237;C#CC(C)(C#CC=O)C=C;YMHZXBHLUCQTQY-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312238;MM312238;C=C1CC(C#CC)=CC1=O;MJCBXXABZKDPQR-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312239;MM312239;C#CC(C)(C#CC#N)C=C;ZEACKZFZAXJDNS-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312240;MM312240;C=C1C=C(C#CC)CC1=O;SFUNEICFKNAGOA-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312241;MM312241;C#CC(C)(C#CC=C)C=O;IHBKFBZPUOTJIR-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312242;MM312242;CC#CC1=CC(=O)C(=O)C1;OMOZVNFYLPYSMG-UHFFFAOYSA-N;134.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312243;MM312243;C#CC(C)(C#N)C#CC=C;LXYUMPWLJVDIIT-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312244;MM312244;C=C1C=C(C#CC)NC1=N;VPKCLLLATCEEDO-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312245;MM312245;C#CC(C)(C#N)C#CC=O;FIVUJHMXJGPLRH-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312246;MM312246;CC=CC(C(N)=O)=C(C)N;QVXSKRFRKOZZCF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312247;MM312247;C#CC(C)(C#CC#N)C=O;ZMTXYLVPHSVNRU-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312248;MM312248;C=C1C=C(C#CC)NC1=O;SKIPCTCJDDXMMM-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312249;MM312249;C#CC(C)(C#N)C#CC#N;DPTCJIDYHNJNQX-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312250;MM312250;CC#CC1=CC(=O)C(=O)N1;UGPXMUSOPPMUCB-UHFFFAOYSA-N;135.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312251;MM312251;C#CC(O)(C#CC=O)C=C;NSPYNPUJTBPTGP-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312252;MM312252;C=C(CO)CCC(C)CO;ZPOOBGDIYTXBKE-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312253;MM312253;C#CC(O)(C#N)C#CC#N;RVNJQERONNPKPW-UHFFFAOYSA-N;130.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312254;MM312254;C=C1N=C(C#CC)NC1=O;HKWWAWHQHWNOMZ-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312255;MM312255;C#CC(F)(C#CC#N)C=C;KFYISURVIWWDNX-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312256;MM312256;C=C(CO)CCC(O)CC;OAPIRTLQMUJYBU-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312257;MM312257;C#CC(F)(C#CC=C)C=O;JJLMTSZMQBQWNC-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312258;MM312258;CC#CC1=NC(=N)C(=O)N1;QGIUSRCSMLEYSJ-UHFFFAOYSA-N;135.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312259;MM312259;C#CC(F)(C#N)C#CC=C;HOKXDLQNEJMKMW-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312260;MM312260;CC#CC1=NC(=O)C(=O)N1;LLCSEDRVRQSRHE-UHFFFAOYSA-N;136.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312261;MM312261;C#CC(F)(C#CC=O)C=O;VATBZKYXCAOJDU-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312262;MM312262;C=c1cc(C#CC)oc1=C;AXXWDPGBCXUBBH-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312263;MM312263;C#CC(F)(C#N)C#CC=O;NRTATIMHXGWPQN-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312264;MM312264;C=C1OC(C#CC)=CC1=O;SEBRZWOUZSOKAH-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312265;MM312265;C#CC(F)(C#CC#N)C=O;ANTGEXCXWRICNE-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312266;MM312266;C=C1C=C(C#CC)OC1=O;COACGXCIWWDQNV-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312267;MM312267;C#CC#CC(C)(C#C)C=C;HILJIRJWDMLDGN-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312268;MM312268;CC#CC1=CC(=O)C(=O)O1;JWUPVZOXXVUQRX-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312269;MM312269;C#CC#CC(C)(C#C)C=O;AXMHPNXJZNYAHK-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312270;MM312270;C=C1OC(C#CC)=NC1=N;PCVYFRXPUPMSDY-UHFFFAOYSA-N;134.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312271;MM312271;C#CC#CC(C)(C#C)C#N;DXNITSJGCNOVIF-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312272;MM312272;C=C1OC(C#CC)=NC1=O;NNSRNRQUSAZHIB-UHFFFAOYSA-N;135.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312273;MM312273;C#CC#CC(F)(C#C)C=O;FGCJPRVBWASXOE-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312274;MM312274;CC#CC1=NC(=N)C(=O)O1;XXMPLFUFFDWAMN-UHFFFAOYSA-N;136.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312275;MM312275;C#CC#CC(F)(C#C)C#N;MOAGNBGNCQBJCV-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312276;MM312276;CC#CC1=NC(=O)C(=O)O1;IDNOEYXEOXOUDZ-UHFFFAOYSA-N;137.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312277;MM312277;C#CC(C)(C#C)C#CCC;ROQZHCWVCQJOHP-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312278;MM312278;CCCn1cc(C)c(C)c1;GCVHKSXYRMKIDV-UHFFFAOYSA-N;137.23;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312279;MM312279;C#CC(C)(C#C)C#CCN;YXOBUPVBLYBTDM-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312280;MM312280;CCCn1cc(C)c(N)c1;ACJXYRQOGNEZAS-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312281;MM312281;C#CC(C)(C#C)C#CCO;IMQBZFCPULYPDQ-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312282;MM312282;CCCn1cc(C)c(F)c1;XCMFODRUUWNHII-UHFFFAOYSA-N;141.19;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312283;MM312283;C#CC(C)(C#C)C#CCF;VEXPJPJJZFPMAO-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312284;MM312284;CCCn1cc(N)c(N)c1;ULRUXEXAJYEBKA-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312285;MM312285;C#CC(N)(C#C)C#CCN;ZEORBNWTDBJTOL-UHFFFAOYSA-N;132.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312286;MM312286;CCCn1cc(N)c(O)c1;ZRONCHGUUJDKSG-UHFFFAOYSA-N;140.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312287;MM312287;C#CC(O)(C#C)C#CCC;XLFWRBWDUNKNCH-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312288;MM312288;CCCn1cc(N)c(F)c1;GEARXNGKBHFUHC-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312289;MM312289;C#CC(O)(C#C)C#CCF;MWNMKYWQKINICX-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312290;MM312290;CCCn1cc(C)c(C)n1;IXBZZNJYYMRVKN-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312291;MM312291;C#CC(F)(C#C)C#CCC;HOFMZRJMYIWHRA-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312292;MM312292;C=CCn1cc(C)c(C)c1;QEZUWZPXIXGHCZ-UHFFFAOYSA-N;135.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312293;MM312293;C#CC(F)(C#C)C#CCN;BRBOMVUTFFAQOE-UHFFFAOYSA-N;135.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312294;MM312294;Cc1cn(CC#N)cc1C;DTLVGFRVICEMHB-UHFFFAOYSA-N;134.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312295;MM312295;C#CC(F)(C#C)C#CCO;TZXVKNMSJRBSBO-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312296;MM312296;C=CCn1cc(C)c(N)c1;ORWYSEKVLYUVHD-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312297;MM312297;C#CC(F)(C#C)C#CCF;DSSQULUNSDYTNC-UHFFFAOYSA-N;138.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312298;MM312298;Cc1cn(CC#N)cc1N;TYPXAONIXPHCOP-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312299;MM312299;C#CC(C)(C#C)C#CC=C;SYBUSGVQIFDXDO-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312300;MM312300;C=CCn1cc(C)c(F)c1;VMZQUWPRQQJRJL-UHFFFAOYSA-N;139.17;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312301;MM312301;C#CC(C)(C#C)C#CC=O;YCWKTLCSGGHKSV-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312302;MM312302;Cc1cn(CC#N)cc1F;FYLHPSLERFOVMZ-UHFFFAOYSA-N;138.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312303;MM312303;C#CC(C)(C#C)C#CC#N;KUCRVSGWZSTUMY-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312304;MM312304;C=CCn1cc(N)c(N)c1;DYYPPJMVBOMQQG-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312305;MM312305;C#CC(O)(C#C)C#CC=C;SPZHWHZEMLJJKV-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312306;MM312306;N#CCn1cc(N)c(N)c1;LVIXPFSRRBRARB-UHFFFAOYSA-N;136.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312307;MM312307;C#CC(F)(C#C)C#CC=C;AVUSPNMELGYCPK-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312308;MM312308;C=CCn1cc(N)c(O)c1;WJGPQXHTUFZNHR-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312309;MM312309;C#CC(F)(C#C)C#CC=O;SVBIVKFIWXRENN-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312310;MM312310;N#CCn1cc(N)c(O)c1;JYCQONHMPBWKQG-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312311;MM312311;C#CC(F)(C#C)C#CC#N;VVLPVESSEWOVPT-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312312;MM312312;C=CCn1cc(N)c(F)c1;COTFOIHQUPTVPT-UHFFFAOYSA-N;140.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312313;MM312313;C#CC#CC(C)(C#C)C#C;XODHNLNPAZIMEG-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312314;MM312314;N#CCn1cc(N)c(F)c1;VRVZBKXOARFXOZ-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312315;MM312315;C#CC#CC(O)(C#C)C#C;URHUCJCKTNYWCX-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312316;MM312316;C=CCn1cc(C)c(C)n1;MTHCKGQECNJGEN-UHFFFAOYSA-N;136.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312317;MM312317;C#CC#CC(F)(C#C)C#C;XWSLXWLZLJHHHP-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312318;MM312318;CCC(C)C=CC(=O)NC;ZDXUSDMKIOIKQW-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312319;MM312319;CCCC(CC)(CC)CC;WWNGLKDLYKNGGT-UHFFFAOYSA-N;142.29;4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312320;MM312320;C=CCn1cc(C)c(F)n1;YLSARODFDPGDFV-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312321;MM312321;CCC(CC)(CC)CCN;CZZPSVORNFBYEX-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312322;MM312322;Cc1cn(CC#N)nc1F;MCCOXMPGXNXHEB-UHFFFAOYSA-N;139.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312323;MM312323;C=NNC1=NC(=N)C=N1;LOJOQKHALXLUIZ-UHFFFAOYSA-N;123.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312324;MM312324;C=CCn1cc(N)c(C)n1;TWZFJIFVQVAYBY-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312325;MM312325;CCC(CC)(CC)CCF;RUUDZCSDQCYVRI-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312326;MM312326;CCC(O)CC=C(C)CO;VZMHMADZBOWBJE-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312327;MM312327;CCCC(CC)(CC)CN;ZBOIDVLUYPGSOH-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C4";;;;;;;3.9;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312328;MM312328;C=CC(O)CC=C(C)CO;DKWXIRRZFZEWAH-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312329;MM312329;CCC(CC)(CN)CCO;IYRSAUJAPLRGIJ-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312330;MM312330;N#CCn1cc(N)c(F)n1;DGRWGIPAHIYLRA-UHFFFAOYSA-N;140.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312331;MM312331;CCC(CC)(CN)CCF;MAEHGGLFFBFMRE-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312332;MM312332;C=CCn1cc(F)c(C)n1;QWXQTYZJKLPWKB-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312333;MM312333;CCCC(CC)(CN)CF;ITZFJCDMAADJPE-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312334;MM312334;Cc1nn(CC#N)cc1F;UJHUQKDKYVTAGJ-UHFFFAOYSA-N;139.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312335;MM312335;NCCC(CN)(CN)CN;JFFZRBOZJBRBBP-UHFFFAOYSA-N;146.24;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312336;MM312336;C#CCn1cc(C)c(C)c1;YUOPHYSSZBCXCD-UHFFFAOYSA-N;133.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312337;MM312337;NCC(CN)(CN)CCO;LDHPWFPOVOFCIC-UHFFFAOYSA-N;147.22;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312338;MM312338;C#CCn1cc(C)c(N)c1;FNCVKIJBUFFCQA-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312339;MM312339;CCCC(CN)(CF)CF;NPUDRBFKSTYAAH-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312340;MM312340;C#CCn1cc(C)c(F)c1;XAYHEEZRRLRJSW-UHFFFAOYSA-N;137.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312341;MM312341;NCCC(CO)(CO)CO;UBXZEGXUHNQQOF-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312342;MM312342;C#CCn1cc(N)c(N)c1;ZSANYCZATNGMPL-UHFFFAOYSA-N;135.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312343;MM312343;OCCC(CO)(CO)CO;HBFBFJVRBIGLND-UHFFFAOYSA-N;150.17;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312344;MM312344;C#CCn1cc(N)c(O)c1;RNYZCDLLJLBDSU-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312345;MM312345;CCC(CC)(CC)CNC;RVECFKPMYKFENG-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312346;MM312346;C#CCn1cc(N)c(F)c1;JQOXFDIZMNRZAJ-UHFFFAOYSA-N;138.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312347;MM312347;CCC(CN)(CN)CNC;LDTATBKKUUSOGK-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312348;MM312348;C#CCn1cc(F)c(F)c1;STAQYPIHVMBRPR-UHFFFAOYSA-N;141.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312349;MM312349;CNCC(CN)(CN)CN;NCXLNQQVDMHPMN-UHFFFAOYSA-N;146.24;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312350;MM312350;C#CCn1cc(C)c(C)n1;RHDGRGBRIDNLGO-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312351;MM312351;CNCC(CO)(CO)CO;JIFQJVQBOHQWHV-UHFFFAOYSA-N;149.19;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312352;MM312352;C#CCn1cc(C)c(F)n1;IKDYUQHIWSBBDE-UHFFFAOYSA-N;138.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312353;MM312353;CCC(CC)(CC)COC;MGSGZQAASGZAFB-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312354;MM312354;C#CCn1cc(N)c(C)n1;ZLQMJTIDFOCOBM-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312355;MM312355;CCC(CC)(CN)COC;KSDSDXOEENOPID-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312356;MM312356;C=C(CO)CCC1(O)CC1;OQZAJXIUAVYRAH-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312357;MM312357;COCC(CN)(CO)CO;HJWOCUDDXBTOOQ-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312358;MM312358;CC=C(OC)C(=O)O;NVPNCVRJVRLJMU-UHFFFAOYSA-N;116.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312359;MM312359;COCC(CO)(CO)CO;AJUSPBSXOGUAFJ-UHFFFAOYSA-N;150.17;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312360;MM312360;C#CCn1cc(F)c(C)n1;ASPNWGCSNJPWKT-UHFFFAOYSA-N;138.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312361;MM312361;COCC(CO)(CO)CF;VRXUXYLCCCQTGS-UHFFFAOYSA-N;152.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312362;MM312362;C#CCn1cc(F)c(F)n1;VGPXXAZUPMIOQT-UHFFFAOYSA-N;142.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312363;MM312363;CCC(CF)(CCN)NC;RRAPETGENYSBON-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312364;MM312364;C#CCn1nc(C)c(C)n1;FIYHJLSWZZOEEO-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312365;MM312365;CNC(CN)(CN)CCN;OFUDKYGNTWSMAB-UHFFFAOYSA-N;146.24;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312366;MM312366;C#CCn1nc(C)c(F)n1;QOXBESAZJLHTHH-UHFFFAOYSA-N;139.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312367;MM312367;CCCC(CO)(CO)NC;XQUYFZXYJCWRFE-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312368;MM312368;CC=Cn1cc(C)c(C)c1;KOQVZHASTOTUAZ-UHFFFAOYSA-N;135.21;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312369;MM312369;CNC(CO)(CO)CCN;LRMCGSWYEYZQJD-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312370;MM312370;CC=Cn1cc(C)c(N)c1;PESOMFJNKYBCGI-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312371;MM312371;CNC(CO)(CO)CCO;KYTMMIVYXLZJPB-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312372;MM312372;CC=Cn1cc(C)c(O)c1;FYTDKSNWCUZGQU-UHFFFAOYSA-N;137.18;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312373;MM312373;CNCC(CO)(CO)NC;INFNGLYVDSAOEJ-UHFFFAOYSA-N;148.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312374;MM312374;CC=Cn1cc(C)c(F)c1;LMPPEJPBJQCROY-UHFFFAOYSA-N;139.17;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312375;MM312375;CNC(CN)(CO)COC;WPWXBUCBPOKLEL-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312376;MM312376;CC=Cn1cc(N)c(F)c1;KGKWLSHPZPLFLL-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312377;MM312377;CCCC(CN)(CO)OC;KWQPCGBBCKUNAW-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312378;MM312378;CN=Cn1cc(C)c(N)c1;SFSFLHKHEAHSMN-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312379;MM312379;COC(CO)(CO)CCN;FJOINPGUSRAXHY-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312380;MM312380;CC=Nn1cc(N)c(F)c1;HWRHUEXBRLGMGT-UHFFFAOYSA-N;141.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312381;MM312381;COC(CO)(CO)CCO;UTPONOVCCXLAKT-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312382;MM312382;CCC(C)=C(C)CNC=O;SLEGZBWYKZJSAN-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312383;MM312383;CCC(CCF)(OC)OC;JTNYFONFNIXHKF-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312384;MM312384;CCC=C1C=C(C)C(C)=C1;DMCBBJRKTPKHGC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312385;MM312385;COC(CN)(CCF)OC;MEQSPUVDYUYYBY-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312386;MM312386;CC1=CC(=CCN)C=C1C;VMLFWTXLGWMSPY-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312387;MM312387;COC(CO)(CCN)OC;HFMUCLDKLHCGJD-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312388;MM312388;CC1=CC(=CCN)C=C1F;VFXSWIVINFGJEQ-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312389;MM312389;COC(CO)(CCO)OC;AHCKEFZFZXWTQV-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312390;MM312390;C=CC=C1C=C(C)C(C)=C1;CAHQMCHJDFMMDB-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312391;MM312391;CNCC(CO)(OC)OC;YZRNGEOATXHBFH-UHFFFAOYSA-N;149.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312392;MM312392;CC1=CC(=CC=O)C=C1C;FMYLFKSSFUFPSG-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312393;MM312393;CCNC(CN)(CO)CO;MBKJRTJLNHNRBJ-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312394;MM312394;CC1=CC(=CC#N)C=C1C;NVOVEFBAEGIIDY-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312395;MM312395;CCNC(CO)(CO)CO;PAMMITWIWFSAOP-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312396;MM312396;C=CC=C1C=C(C)C(F)=C1;CCTQMYNGKYEHLG-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312397;MM312397;CCOC(CN)(CO)CO;VBVNFRLOMUAMSV-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312398;MM312398;CC1=CC(=CC=O)C=C1F;UUULMHAXJDGMDU-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312399;MM312399;CCOC(CO)(CF)CF;BVSXRAIFLKTHTG-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312400;MM312400;CC1=CC(=CC#N)C=C1F;XSYOQWUNIPOPNJ-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312401;MM312401;CCOC(CC)(CN)OC;HALGZBUNYDUTLJ-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312402;MM312402;CC1=CC(=CC=O)N=C1C;XZZYROKQUFHNDE-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312403;MM312403;CCOC(CC)(CO)OC;SPJFWUWVPUDGIP-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312404;MM312404;CC1=CC(=CC#N)N=C1C;MCYMKANMRBTABC-UHFFFAOYSA-N;132.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312405;MM312405;CCOC(CN)(CF)OC;RAOOJBJKNPEZDI-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312406;MM312406;CC1=NC(=CC#N)N=C1C;NOTBSDSIIPPWFG-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312407;MM312407;C=CCC(CC)(CC)CC;FMIDFXCVRGPJHZ-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312408;MM312408;C#CC=C1C=C(C)C(C)=C1;DTEOAOSJODAPNO-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312409;MM312409;CCC(CC)(CC)CC=O;SYSQFFRLKUHUGW-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312410;MM312410;C#CC=C1C=C(C)C(F)=C1;ZINXXQKPFWPARK-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312411;MM312411;CCC(CC)(CC)CC#N;FYIRWQXZXKBCCB-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312412;MM312412;C#CC=C1C=C(F)C(F)=C1;AHENSAISEFLFCZ-UHFFFAOYSA-N;138.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312413;MM312413;CC(O)C=CC1CC1C;NEXMCQWNOIGAJO-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312414;MM312414;CCCC1=CC(C)C(C)=C1;SJELEPOKHSBUTN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312415;MM312415;C=CCC(CC)(CN)CN;CDQWIFGPKYDVGN-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312416;MM312416;CCCC1=CC(N)C(C)=C1;GPJOVSJYSONPGQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312417;MM312417;C=CCC(CC)(CN)CF;QKBPRNKCTXSSAJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312418;MM312418;CCCC1=CC(O)C(C)=C1;XWUAXRCLSDJDFU-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312419;MM312419;C=CCC(CN)(CN)CN;FHFZKEBKKYRTPB-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312420;MM312420;CC1=CC(CCN)=CC1O;HSBIOIIMYFKCFR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312421;MM312421;C=CCC(CN)(CN)CF;ACUOBKFZUGUHDP-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312422;MM312422;CCCC1=CC(F)C(C)=C1;SCYBVLYCJLXGPA-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312423;MM312423;O=CCC(CO)(CO)CO;SNBWCDIAEFVYLF-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312424;MM312424;CCCC1=CC(C)C(F)=C1;WZEWTIWBMGPUDY-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312425;MM312425;CCC(CC)(CC=O)NC;JAMGSLOJZHOJCF-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312426;MM312426;CC1C=C(CCN)C=C1F;FVOMLYPCVLUFCD-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312427;MM312427;C=CCC(CC)(CF)NC;VZDGONBLRQOUJH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312428;MM312428;CCCC1=CC(O)C(F)=C1;KRKCKSQPJMLJAB-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312429;MM312429;CNC(CF)(CF)CC#N;MFZQRZVVQHTTBP-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312430;MM312430;NCCC1=CC(O)C(F)=C1;QQXNVBBFBNTENR-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312431;MM312431;CCC(CC)(CC#N)OC;YHRVGLLYESYXSP-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312432;MM312432;CCCc1cc(C)n(C)c1;GBYQWPZEPHQATB-UHFFFAOYSA-N;137.23;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312433;MM312433;COC(CO)(CO)CC=O;BTBHLYHUKJYSPT-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312434;MM312434;Cc1cc(CCN)cn1C;MBKSRKOICNKCBW-UHFFFAOYSA-N;138.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312435;MM312435;C=CCC(CN)(OC)OC;YMRMJPXPVMCFBU-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312436;MM312436;CCCc1cc(C)n(N)c1;YZMZDSCSIKNXAD-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312437;MM312437;CCC(CO)(CO)NC=O;NOPDLWYZWFKQBO-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312438;MM312438;CCCc1cc(C)n(O)c1;MFHIFGSVTAQXMW-UHFFFAOYSA-N;139.2;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312439;MM312439;N=CNC(CN)(CO)CO;DCRUQQDOWRRHQT-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312440;MM312440;Cc1cc(CCN)cn1O;QXFDMHISDVQOJB-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312441;MM312441;NCC(CO)(CO)NC=O;XTPMXIURLKUDHN-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312442;MM312442;CCCc1cc(N)n(C)c1;KLWIQOFUVHVHOU-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312443;MM312443;N=CNC(CO)(CO)CO;HOZJVOWSWMRNQX-UHFFFAOYSA-N;148.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312444;MM312444;Cn1cc(CCN)cc1N;YGACQBPPSNYUOY-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312445;MM312445;O=CNC(CO)(CO)CO;ZIZWZRGEIHXUGR-UHFFFAOYSA-N;149.15;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312446;MM312446;CCCc1cc(N)n(N)c1;MCCLZMFSJLTSEM-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312447;MM312447;O=CNC(CO)(CO)CF;CSQTZYDLXIVBJO-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312448;MM312448;C=CCC(NC)C(=O)C#N;DCNUKLPDQNZIPR-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312449;MM312449;C=NNC(CC)(CC)CC;HBEUSFHTMRPRKJ-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312450;MM312450;CCCc1cc(O)n(C)c1;DSRIKNLWSYHMTQ-UHFFFAOYSA-N;139.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312451;MM312451;C=NNC(CN)(CN)CO;GEIYORDEBLTGGW-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312452;MM312452;Cn1cc(CCN)cc1O;OHLSDKFVFDGFQA-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312453;MM312453;CC(O)C=CC1CC1F;WPFFGUSAFLPLBM-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312454;MM312454;CCCc1cc(O)n(N)c1;WUXVLCLNGGCPRH-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312455;MM312455;CCCN1CC1CC=O;KELSCHXPIDAQRS-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312456;MM312456;CCCc1cc(F)n(C)c1;CARKGLCEUKTFJH-UHFFFAOYSA-N;141.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312457;MM312457;CC1CC1CCCCO;JCGGIQSCSHGJIX-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312458;MM312458;CCCc1cc(F)n(N)c1;FUVIKVYQHBFONR-UHFFFAOYSA-N;142.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312459;MM312459;C=COC(CN)(CO)CO;RJJWJYSTVRLDDR-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312460;MM312460;CCCc1cc(F)n(O)c1;KFDYPCREWREMAS-UHFFFAOYSA-N;143.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312461;MM312461;O=COC(CO)(CO)CO;MOSFIIYBGUGEFL-UHFFFAOYSA-N;150.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312462;MM312462;CCCc1cc(C)n(C)n1;UDGBZDYWWYJVKJ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312463;MM312463;O=COC(CO)(CO)CF;BFNYBDPLOTZWFF-UHFFFAOYSA-N;152.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312464;MM312464;CCCc1cc(C)n(N)n1;HNAYLOISCGXGAA-UHFFFAOYSA-N;139.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312465;MM312465;OCCCCC1CC1O;GUNUQAWQXIQEPP-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312466;MM312466;CCCc1cc(C)n(O)n1;NOZWNDOLEVRFGD-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312467;MM312467;OCCCCC1CC1F;XNATYWWYXLKPHR-UHFFFAOYSA-N;132.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312468;MM312468;CCCc1cc(N)n(C)n1;MBEYCURLTGQATH-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312469;MM312469;C=COC(CC)(CN)OC;JCEVBDIIQUTOBD-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312470;MM312470;CCCc1cc(N)n(N)n1;NDTOAWDJHZGHHG-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312471;MM312471;C=COC(CC)(CO)OC;FUBSORYPMGSLHU-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312472;MM312472;CCCc1cc(N)n(O)n1;RGMOPHMLOLDORM-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312473;MM312473;CCC(CO)(OC)OC=O;KDYKQXWQSOSVHF-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312474;MM312474;C=C(C)OCC(F)C(=O)O;ZFLWCOKGIBXWAR-UHFFFAOYSA-N;148.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312475;MM312475;CC1OC1CCCCO;RGVISJDZLDHPQU-UHFFFAOYSA-N;130.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312476;MM312476;CC(=O)C(C)OCC(=O)O;SMKWCDIWIDOAEK-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312477;MM312477;C#CCC(CC)(CC)CC;DTHYHBWYQUOCEC-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312478;MM312478;CC(C=O)COCC(=O)O;CIRRLDXQNZJURQ-UHFFFAOYSA-N;146.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312479;MM312479;C#CCC(CC)(CC)CN;DYWOGVPLIIYGON-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312480;MM312480;CCCc1cc(F)n(C)n1;FVBILKFWWXTOGH-UHFFFAOYSA-N;142.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312481;MM312481;C#CCC(CN)(CN)CN;AOYXAXDVXJJRAH-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312482;MM312482;CCCc1cn(N)c(C)n1;HSBQLVRHQCUYSR-UHFFFAOYSA-N;139.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312483;MM312483;C#CCC(CO)(CO)CO;MJOKFODOYJBJMZ-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312484;MM312484;C#CCC(C#N)=C(N)C#N;ZJITZZACPJKVQQ-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312485;MM312485;C#CCC(CC)(CF)NC;CYHQPAQTGAZPMR-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312486;MM312486;CCCc1cn(C)c(N)n1;WTNDLMHHJQZFAO-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312487;MM312487;C#CCC(CN)(CO)OC;QRUWETUYNOKFSX-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312488;MM312488;C=CC(C(N)=O)=C(N)CC;XTWRXEWNYJVQRR-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312489;MM312489;C#CCC(CO)(CO)OC;TZPAIIXMFAVWCS-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312490;MM312490;N#CC(=CN)OCCC=O;MECYMUASMRPBNE-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312491;MM312491;C#CCC(CO)(OC)OC;ZYGTYRGCGNEFAG-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312492;MM312492;CCCC1=NOC(C=O)C1;YFCPNPBZNVBSKU-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312493;MM312493;C=CC(CC)(CC)CCN;FOESOLXSIFPILR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312494;MM312494;CCCc1nc(C)n(C)n1;YIOBYLSCUOWSJB-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312495;MM312495;C=CC(CC)(CN)CCC;DTJUDHPCYYFWTK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312496;MM312496;CCCc1nc(C)n(N)n1;DFMILYVURQDRES-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312497;MM312497;C=CC(CC)(CN)CCN;BHTIDCVOEVOVHH-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312498;MM312498;CCCc1nc(N)n(C)n1;ATZZADHOWBQCPR-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312499;MM312499;C=CC(CC)(CN)CCO;CLZXUAXKHNBYOQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312500;MM312500;CNc1[nH]nc(NN)c1C;HBVCAFKQXVPJOA-UHFFFAOYSA-N;141.18;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312501;MM312501;C=CC(CC)(CN)CCF;LEZSMWAQRQHPIJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312502;MM312502;O=CC=CC1NC1CC=O;IZMVLQSHKWUTOF-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312503;MM312503;CCC(C#N)(CO)CCO;TZRXZFPLISFRSH-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312504;MM312504;C=CCC1=CC(C)C(C)=C1;SXICHCVPQRLYBX-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312505;MM312505;CCC(C=O)(CF)CCF;QKEPCSZUVDDZOX-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312506;MM312506;CC1=CC(CC=O)=CC1C;JGHQBMIXQCDKJM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312507;MM312507;C=CC(CN)(CN)CCC;LWNHOLWYAXFVIE-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312508;MM312508;CC1=CC(CC#N)=CC1C;SBCMINRYEUXDPD-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312509;MM312509;C=CC(CN)(CN)CCF;GRKKUKGTICBYCD-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312510;MM312510;C=CCC1=CC(N)C(C)=C1;XRJBZDCGOHAFEL-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312511;MM312511;C=CC(CN)(CO)CCF;FKQYCFFDCVJNAK-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312512;MM312512;C=CCC1=CC(O)C(C)=C1;CNTXHARDDDUODV-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312513;MM312513;C=CC(CN)(CF)CCN;YRQQRESLPOMFRD-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312514;MM312514;CC1=CC(CC#N)=CC1O;YCSMSVKXJDLMCK-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312515;MM312515;O=CC(CO)(CO)CCO;IQCHUPKZXVMTTK-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312516;MM312516;C=CCC1=CC(F)C(C)=C1;NMRJGBACGOPFBO-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312517;MM312517;N#CC(CO)(CO)CCO;PBDBTMHOVKTYIQ-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312518;MM312518;CC1=CC(CC#N)=CC1F;XTXDUMMORVDDDH-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312519;MM312519;N#CC(CO)(CF)CCF;LXJFIGFBHBVBDY-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312520;MM312520;C=CCC1=CC(C)C(F)=C1;DUOLQHZFZOMCHB-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312521;MM312521;CCCC(C=O)(CF)CF;JZJRRCXOHHFFDC-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312522;MM312522;CC1C=C(CC#N)C=C1F;ZHLGFSPTPVJYEN-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312523;MM312523;C=CC(CC)(CC)CNC;SQFIDNMARYUSRF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312524;MM312524;C=CCC1=CC(O)C(F)=C1;REZQCMOTDSLVOP-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312525;MM312525;CCC(C=O)(CC)CNC;RCUSTZHCIHGCFT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312526;MM312526;N#CCC1=CC(O)C(F)=C1;PJILEYBLMFWATA-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312527;MM312527;C=CC(CO)(CO)CNC;JZKRBMCRQJVACH-UHFFFAOYSA-N;145.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312528;MM312528;CC1=CC(NC=N)=CC1C;IJKPJXFUTOPWAN-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312529;MM312529;CNCC(C=O)(CF)CF;KONKIRSTAUKLQD-UHFFFAOYSA-N;151.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312530;MM312530;CC1=CC(NC=N)=CC1N;VDCNIOMGKVDCOW-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312531;MM312531;C=CC(CC)(CC)COC;AZXXUQRGKQYOMF-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312532;MM312532;CC1C=C(NC=N)C=C1F;AIAJUTSGRIRVGN-UHFFFAOYSA-N;140.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312533;MM312533;C=CC(CC)(CN)COC;BUHLRWYRWMZTJH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312534;MM312534;N=CNC1=CC(N)C(F)=C1;MHGQSODGWUDFML-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312535;MM312535;CCC(C#N)(CO)COC;PBGJKBAINWCISB-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312536;MM312536;C=COC1=CC(C)C(C)=C1;RHOGHZJHWLNUSM-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312537;MM312537;C=CC(CN)(CN)COC;TVLRJRXFXQYPSO-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312538;MM312538;C=COC1=CC(C)C(F)=C1;JGNXHPGPMHNKGP-UHFFFAOYSA-N;140.16;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312539;MM312539;C=CC(CO)(CO)COC;LVXLTXDBYZTLMN-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312540;MM312540;C=CNC1=NC(C)C(C)=C1;QXGZPDWXBMDVHF-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312541;MM312541;COCC(C=O)(CO)CO;BIPUNKDSBWFPTE-UHFFFAOYSA-N;148.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312542;MM312542;C=CNC1=NC(C)C(N)=C1;UYEOIIVATZERSQ-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312543;MM312543;C=CC(CC)(CCO)NC;HSGGVCCJDBCOQX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312544;MM312544;C=CCc1cc(C)n(C)c1;WCAURLBWPMSBTR-UHFFFAOYSA-N;135.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312545;MM312545;C=CC(CC)(CCF)NC;KQKONCBXWJBTAD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312546;MM312546;Cc1cc(CC#N)cn1C;YBJGDYMUTIBOSO-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312547;MM312547;CCC(C=O)(CCF)NC;HELWSBFUAWLEIQ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312548;MM312548;C=CCc1cc(C)n(N)c1;MVVUTSGGIPRCAI-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312549;MM312549;CCC(C#N)(CCF)NC;WDLWEPLWZWBHNV-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312550;MM312550;C=CCc1cc(C)n(O)c1;RMYAAQREUMOWDE-UHFFFAOYSA-N;137.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312551;MM312551;C=CC(CN)(CCF)NC;GFBOHFLIMDSFNP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312552;MM312552;Cc1cc(CC#N)cn1O;QRKGZEHGJKSRDP-UHFFFAOYSA-N;136.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312553;MM312553;C=CC1=NNC(C=O)C1;KBLSWZVFGHJKQX-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312555;MM312555;C=CCc1cc(N)n(C)c1;YEFLXVPRYCHOSJ-UHFFFAOYSA-N;136.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312554;MM312554;C=CC(CF)(CCN)NC;GEQZDHKFTGWMPF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312556;MM312556;C#CC=CC1NC1CC=O;UQGHBDOUYWHIDO-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312557;MM312557;C=CC(CC)(COC)NC;YNBVDQWZDUQATG-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312558;MM312558;C=CCc1cc(N)n(N)c1;UWWUHXJMYXPAQR-UHFFFAOYSA-N;137.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312559;MM312559;C=CC(CN)(CCF)OC;SKNCUAJDEROFLJ-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312560;MM312560;C=CCc1cc(N)n(O)c1;FPTACYRYLKYCDE-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312561;MM312561;COC(C#N)(CO)CCO;MCYRXZUKEBMTKZ-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312562;MM312562;N#CCc1cc(N)n(O)c1;ALYXGRFXJCNAHV-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312563;MM312563;C=CC(CC)(CNC)OC;UVKBEDXTWOCBQN-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312564;MM312564;C=CCc1cc(O)n(C)c1;NYZHMNNAPGQPMY-UHFFFAOYSA-N;137.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312565;MM312565;CNCC(C=O)(CO)OC;VWANASFGVWBTFE-UHFFFAOYSA-N;147.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312566;MM312566;Cn1cc(CC#N)cc1O;DAJHJDOCGYCQTF-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312567;MM312567;COCC(C=O)(CF)OC;PMIDALGVHUFEPI-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312568;MM312568;C=CCc1cc(O)n(N)c1;XRNFFMRMGBJTAY-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312569;MM312569;C=CC(CCC)(OC)OC;ARGQWWXAZASYNQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312570;MM312570;C=CCc1cc(O)n(O)c1;PIPPCMVHJHRNOH-UHFFFAOYSA-N;139.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312571;MM312571;C=CC(CCO)(OC)OC;KIOIRMDFOHALOI-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312572;MM312572;N#CCc1cc(O)n(O)c1;PECCEDQPKKABCU-UHFFFAOYSA-N;138.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312573;MM312573;CCNC(C=O)(CC)CC;AVTSPQSZHOYQAI-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312574;MM312574;C=CCc1cc(F)n(C)c1;HLWIRFRJERLSTJ-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312575;MM312575;C=CC(CC)(CN)NCC;JIZSVOMFAVDYSC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312576;MM312576;Cn1cc(CC#N)cc1F;SPWAVCWSHSDZBH-UHFFFAOYSA-N;138.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312577;MM312577;CCOC(C#N)(CC)CO;NDRGZNNXLWKHTJ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312578;MM312578;C=CCc1cc(F)n(N)c1;GXPZWULDUBAMMJ-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312579;MM312579;CCOC(C=O)(CO)CO;CNDCTBXCRKKLKY-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312580;MM312580;C=CCc1cc(F)n(O)c1;MVNUOWSIRWYBQM-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312581;MM312581;CCOC(C=O)(CO)CF;JYYVULJELVMAGX-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312582;MM312582;N#CCc1cc(F)n(O)c1;DIQMLCGKHUQDKK-UHFFFAOYSA-N;140.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312583;MM312583;C=CC(CO)(OC)OCC;YSTXAHRSQYKZFX-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312584;MM312584;C=CCc1cc(C)n(C)n1;DKDHSRUFQQSKMF-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312585;MM312585;C=CC(CC)(CC)CC#N;GTIMVEPBCZMWAI-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312586;MM312586;Cc1cc(CC#N)nn1C;VATJIQKCMWMOIF-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312587;MM312587;C=CC(CC)(CO)CC#N;ZLVHGEMSHOPBLN-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312588;MM312588;C=CCc1cc(C)n(N)n1;QWODIICXOOBPEJ-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312589;MM312589;C=CC(CC)(CF)CC=O;UYQHOACQBBBDPO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312590;MM312590;C=CCc1cc(C)n(O)n1;ZZGBKOSQIZLCGL-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312591;MM312591;O=CCC(C=O)(CO)CO;GOSOGBLTVQFQRB-UHFFFAOYSA-N;146.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312592;MM312592;Cc1cc(CC#N)nn1O;OUAOWMHCJGYCOG-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312593;MM312593;C=CCc1cc(N)n(C)n1;GHDZFQSDNJFFON-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312594;MM312594;N#CC(CO)(CO)CC=O;QGQKJTUJRJETMO-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312595;MM312595;NC(=O)CC1CC1;JBSLANHIBKBQGE-UHFFFAOYSA-N;99.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312596;MM312596;CCC(C=O)(CC#N)NC;MXEFUKUACBLPTF-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312597;MM312597;C=CCc1cc(N)n(N)n1;NFUUSDMIPRYSJG-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312598;MM312598;CNc1cc(C#N)on1;INBVPGVSRUPIPG-UHFFFAOYSA-N;123.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312599;MM312599;C=CCc1cc(N)n(O)n1;JCLLRAYRJCWCAT-UHFFFAOYSA-N;139.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312600;MM312600;C=CC(CC)(CC=O)OC;XKXYFGZVZQUWPX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312601;MM312601;N#CCc1cc(N)n(O)n1;GARLOJIPQPYOIM-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312602;MM312602;CCC(C#N)(CC#N)OC;UFLNEPLEHQWWFP-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312603;MM312603;N#CC(=O)C(CO)=NO;JRXDHBCQMKJJRN-UHFFFAOYSA-N;128.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312604;MM312604;C=CCC(C=C)(CN)OC;FUPDUXAWQLASGQ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312605;MM312605;N#CC(COCCO)=NO;YCTZDTNXVBEYGC-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312606;MM312606;COC(C#N)(CO)CC#N;UAQAMYDDYGNVKU-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312607;MM312607;CN(C)N=C(CO)C(=O)O;JWQFLYDVJYVICT-UHFFFAOYSA-N;146.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312608;MM312608;COC(C#N)(CF)CC#N;FNQIMMWXDXKUBE-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312609;MM312609;C=CCn1cc(O)nn1;RGUWXXUFRADHAI-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312610;MM312610;C=CC(CC=O)(OC)OC;KJIVQSXPQJMLQC-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312611;MM312611;O=C(O)CC(CF)=NO;UMRDMDCYJQMHQP-UHFFFAOYSA-N;135.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312612;MM312612;C=CC(CC#N)(OC)OC;CVXSQHBFLCTWER-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312613;MM312613;C=CCc1cc(F)n(C)n1;BXBXXAVZUXEENT-UHFFFAOYSA-N;140.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312614;MM312614;COC(C=O)(CC=O)OC;FGBIDQOQBSBYPL-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312615;MM312615;Cn1nc(CC#N)cc1F;KWMLRKOMJDQREC-UHFFFAOYSA-N;139.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312616;MM312616;COC(C#N)(CC#N)OC;FTUKJDOJQKUQBF-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312617;MM312617;NN=C(CC(=O)O)C(F)F;PFIOJBGMVVMUKI-UHFFFAOYSA-N;152.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312618;MM312618;C=COc1cc(C)n(N)n1;WSLVPUWTTVNHJD-UHFFFAOYSA-N;139.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312619;MM312619;C=CC(CC)(CN)NC=O;PQOMXDHGXZDIEF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312620;MM312620;C=CC(N)=CC(N)=O;LMSFPMSNGHBDJP-UHFFFAOYSA-N;112.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312621;MM312621;C=CC(CC)(CO)NC=N;PEEHSKGBZDCECK-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312622;MM312622;C=CCc1cn(N)c(C)n1;HIXQWXAUBLGNAG-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312623;MM312623;C=CC(CC)(CO)NC=O;CQVSGFHVRFGRMJ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312624;MM312624;CC1CC1(C)C(N)=O;DGOWMWZXSXVWDS-UHFFFAOYSA-N;113.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312625;MM312625;C=CC(CN)(CN)NC=N;AVASVCFHXFWLGR-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312626;MM312626;CC1=NOC(C=O)C1;UKLQDIRTJORSBC-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312627;MM312627;C=CC(CO)(CO)NC=O;BTJAGQHZOYKKTA-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312628;MM312628;C=CCc1cn(C)c(N)n1;YJFHKLJQCKMBIT-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312629;MM312629;O=CNC(C=O)(CO)CO;QZIOUYCTWGFZFM-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312630;MM312630;C=CC1NC1CC=O;AKDJURURSNQRDU-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312631;MM312631;N#CC(CO)(CF)NC=O;VJLQFOAZQYVUCD-UHFFFAOYSA-N;146.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312632;MM312632;C=CCCC(C)NC=O;POEIZQQSGUEUJA-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312633;MM312633;N#CC(CF)(CF)NC=O;VVVAOYXKMCJFNS-UHFFFAOYSA-N;148.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312634;MM312634;CC=CC1NC1CC=O;HYDFUPVHLYNAGE-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312635;MM312635;C=CC(CC)(CC)NN=C;YYRJWKYBMINBAX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312636;MM312636;C=CCc1cn(N)c(O)n1;VUYXNUSOTFYTBN-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Octan-1-ol;MM00895;CCCCCCCCO;KBPLFHHGFOOTCA-UHFFFAOYSA-N;130.23;2.34;957;DB12452;OC9;CHEMBL26215;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312637;MM312637;N#CCc1cn(O)c(O)n1;PXVQJQQFRPUMKD-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312638;MM312638;C=COC(C=C)(CN)CN;CPRULIWQRBIILA-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312639;MM312639;N#CC(C=O)NC1CC1;SQJLUYHXXVAWJI-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312640;MM312640;CC(C)(C)C(C)(C)NC=O;FGEKUIJCVVCFCU-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312641;MM312641;C=CC(CO)(CO)OC=O;WSHSBKLAOMVUHM-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312642;MM312642;C=COc1cn(N)c(O)n1;BMVJLRLEONPQAY-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312643;MM312643;O=COC(C=O)(CO)CO;ZIUOWZQDRFOQBP-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312644;MM312644;C=CCc1nc(C)n(C)n1;SQERYGVCBNKDDK-UHFFFAOYSA-N;137.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312645;MM312645;C=COC(C=O)(CO)CF;FYSBWQCUBBYOQN-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312646;MM312646;Cc1nc(CC#N)nn1C;MHXNPSPBUDNWKO-UHFFFAOYSA-N;136.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312647;MM312647;OCCCCCCCF;BZIZKLZGQRAKFR-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312648;MM312648;C=CCc1nc(C)n(N)n1;GGVXWIWJMCAUIT-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312649;MM312649;C=COC(C=C)(CO)OC;UTWGYULBDOFLOJ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312650;MM312650;C=CCc1nc(N)n(C)n1;OMEHOBOIRPYGFV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312651;MM312651;C=COC(C#N)(CF)OC;BLEXVVHTQSAERL-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312652;MM312652;CC(C)(CCCO)C(N)=O;RCBLYDTWJXNTOX-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312653;MM312653;C#CCC(C=C)(CC)CC;AOAAQCVVHILOBA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312654;MM312654;CN(C)N=CCCC(N)=O;SGBQVSMHUGKKTL-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312655;MM312655;C#CCC(C=C)(CC)CN;LVZFTLOOMQMJON-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312656;MM312656;C=NOC(=O)C(CO)=NO;AGFARRREFHSCCI-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312657;MM312657;C#CCC(C=O)(CO)CO;XRVSXPMSNUUGMX-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312658;MM312658;CC(CC=NN)CC(N)=O;GMGBMZQKHUXWPA-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312659;MM312659;C#CCC(C#N)(CO)CO;FIQYOBHZRYLAPL-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312660;MM312660;C#CCC1=CC(C)C(C)=C1;VKVCYDIVWBORJX-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312661;MM312661;C#CCC(C=C)(CN)NC;DPNZMHWFMZUKHZ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312662;MM312662;C#CCC1=CC(N)C(C)=C1;TXIMTISFFFKZMI-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312663;MM312663;C=CCCCCCCO;WXPWPYISTQCNDP-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312664;MM312664;C#CCC1=CC(O)C(C)=C1;KRMHHTOEGSKDKZ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312665;MM312665;C#CCC(C=C)(CO)OC;VRQDKDPYMWNCOZ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312666;MM312666;C#CCC1=CC(F)C(C)=C1;GWTASGCJXMEQRI-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312667;MM312667;C#CC(CC)(CC)CCC;YAYVQTKHJOCUNM-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312668;MM312668;C#CCC1=CC(C)C(F)=C1;UAVASUBXPYIOED-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312669;MM312669;C#CC(CC)(CN)CCC;QBHHIKFLNWPDOB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_N0";;;;;;;2.87;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312670;MM312670;C#CCC1=CC(O)C(F)=C1;FGNBVKKHOVYNDP-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312671;MM312671;C#CC(CC)(CN)CCO;OPHFAZALTLLTHB-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312672;MM312672;C#CCc1cc(C)n(C)c1;GKSOMRHGVOXADO-UHFFFAOYSA-N;133.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312673;MM312673;C#CC(CC)(CO)CCO;ACMRIMIVWCHUSC-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312674;MM312674;C#CCc1cc(C)n(N)c1;KANCGNJCVCNWOG-UHFFFAOYSA-N;134.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312675;MM312675;C#CC(CN)(CO)CCC;KXKBOMLWJKTIOO-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312676;MM312676;C#CCc1cc(C)n(O)c1;GBSPNBWWSFBBLF-UHFFFAOYSA-N;135.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312677;MM312677;C#CC(CN)(CF)CCC;AMFMVVCNXILLDW-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312678;MM312678;C#CCc1cc(N)n(C)c1;LUQHQXVNGCSDSR-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312679;MM312679;C#CC(CF)(CF)CCF;NGNCMEMMZILKDT-UHFFFAOYSA-N;150.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312680;MM312680;C#CCc1cc(N)n(N)c1;KYSGZQKSNVWQDG-UHFFFAOYSA-N;135.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312681;MM312681;C#CC(CC)(CO)CNC;URERVNXNWJVYAZ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312682;MM312682;C#CCc1cc(N)n(O)c1;IPYGEVBRZJTNNP-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312683;MM312683;C#CC(CO)(CF)CNC;QIXPXNKMJHKBEP-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312684;MM312684;C#CCc1cc(O)n(C)c1;CLHYBRFYGRMBII-UHFFFAOYSA-N;135.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312685;MM312685;C#CC(CC)(CC)COC;BBTUOZNMLBDCFE-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312686;MM312686;C#CCc1cc(O)n(N)c1;JZYVCLDDEYEHBB-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312687;MM312687;C#CC(CC)(CO)COC;OKNJIYRLBMZOTL-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312688;MM312688;C#CCc1cc(O)n(O)c1;DBYKISPDWIHCFO-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312689;MM312689;C#CC(CC)(CCO)NC;BOFRVNDWXZAYAW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312690;MM312690;C#CCc1cc(F)n(C)c1;CXIRGVNEIUJLIT-UHFFFAOYSA-N;137.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312691;MM312691;C#CC(CN)(CCN)NC;DAFAOVLDRIMTNC-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312692;MM312692;C#CCc1cc(F)n(N)c1;OHFMLJOPJATKJI-UHFFFAOYSA-N;138.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312693;MM312693;C#CC(CC)(CNC)NC;MKKRWNGSJCYYMM-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312694;MM312694;C#CCc1cc(F)n(O)c1;QVLVQQXKUNEIIC-UHFFFAOYSA-N;139.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312695;MM312695;C#CC(CC)(CCN)OC;SLEUFKZVEDNEGY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312696;MM312696;C#CCc1cc(C)n(C)n1;AXKKXSWECRDDIN-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312697;MM312697;C#CC(CC)(CCO)OC;OHQWNCYXSCCQPL-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312698;MM312698;C#CC(CN)(CCN)OC;VPURTWALIMUWMS-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312699;MM312699;C#CCc1cc(C)n(N)n1;ROUHHLVLZUTNSE-UHFFFAOYSA-N;135.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312700;MM312700;C#CC(CO)(CCN)OC;HXHLMXRIILGGLK-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312701;MM312701;C#CCc1cc(C)n(O)n1;JFEIPKLNMPIAFN-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312702;MM312702;C#CC(CO)(CCO)OC;VGZVGMSOCZYYOG-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312703;MM312703;C#CCc1cc(N)n(C)n1;FCXWTHDYOYLIGH-UHFFFAOYSA-N;135.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312704;MM312704;C#CC(CO)(CNC)OC;FCXQGLQEMDMZLG-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312705;MM312705;C#CCc1cc(N)n(N)n1;USHWYDYLOFJTKY-UHFFFAOYSA-N;136.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312706;MM312706;C#CC(CCN)(OC)OC;OKAJXRVKHOVDFX-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312707;MM312707;C#CCc1cc(N)n(O)n1;ILZRRJWIMDKZTR-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312708;MM312708;C#CC(CNC)(OC)OC;ZBCMZSOMXVVHJC-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312709;MM312709;CCC(=NN)C(O)C(=O)O;QKAFYVIWUSVRDU-UHFFFAOYSA-N;146.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312710;MM312710;C#CC(CC)(CN)CC=C;WGAGFZJLLLXESK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312711;MM312711;O=C(O)CNC=NO;IGFMZKMFJKSYNC-UHFFFAOYSA-N;118.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312712;MM312712;C#CC(CN)(CO)CC=C;HTVSUOIWYMAIAD-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312713;MM312713;N=c1onc(O)c(=N)n1N;JILDNGXLKVCMKJ-UHFFFAOYSA-N;143.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312714;MM312714;C#CC(CO)(CO)CC#N;ISIZZZXUSYDOCZ-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312715;MM312715;C#CCc1cc(F)n(C)n1;MYSQEBKHAAAHLC-UHFFFAOYSA-N;138.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312716;MM312716;C#CC(CO)(CF)CC=O;JMBNFYCEZMCERR-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312717;MM312717;C#CCc1cc(F)n(N)n1;BVMKQLXBIREFAZ-UHFFFAOYSA-N;139.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312718;MM312718;C#CC(CF)(CF)CC=C;BSPHECBLRAPAJF-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312719;MM312719;N=c1nc(O)on1C=O;KSAXAPAQGVGFBN-UHFFFAOYSA-N;129.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312720;MM312720;C#CC(CC)(CC#N)OC;CPFSHVXSVKWXAF-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312721;MM312721;C#CCc1cn(N)c(C)n1;DCVUUYOVPBPKEY-UHFFFAOYSA-N;135.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312722;MM312722;C#CC(CC)(CC)NC=O;VWXHWZLYZGWBAZ-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312723;MM312723;CCC(C)(NC=O)C(C)C;ZYNGHHYLOBSVNN-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312724;MM312724;C#CC(CC)(CO)NC=N;YQOWOYJLRRGFPG-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312725;MM312725;CNN=C(C)CCC(N)=O;RMHPDVSDRLJABR-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312726;MM312726;C#CC(CC)(CF)NC=N;XAKHVENPYQSQMA-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312727;MM312727;C#CCc1cn(N)c(O)n1;URIFWULRWSMPJG-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312728;MM312728;C#CC(CN)(CO)NC=N;HSPPUDOPTSELAS-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312729;MM312729;C#CCc1cn(O)c(O)n1;MXTWLYXIFYZBSM-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312730;MM312730;C#CC(CO)(CO)NC=N;ZOCFLSPGIXOZDS-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312731;MM312731;C#CCc1nc(C)n(C)n1;ARTFYAXXSFWBPB-UHFFFAOYSA-N;135.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312732;MM312732;O=CCCCCCCO;JOXWSBFBXNGDFD-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312733;MM312733;C#CCc1nc(C)n(N)n1;GPCSMNIWDMJGQG-UHFFFAOYSA-N;136.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312734;MM312734;N#CCCCCCCO;XAZAHJGDOHGFBV-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312735;MM312735;C#CCc1nc(N)n(C)n1;IEHQDAXAOQGLHL-UHFFFAOYSA-N;136.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312736;MM312736;C#CC(CC)(CN)OC=O;NBIQDMLRULXTOG-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312737;MM312737;C#CCC(C)C=CC(N)=O;QTKGNAOCFWVIHB-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312738;MM312738;C#CC(CN)(CO)OC=C;PXPNYDUBSBUFDX-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312739;MM312739;C#CC1(CC(=O)O)CO1;HVVKHGNVIRGJRO-UHFFFAOYSA-N;126.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312740;MM312740;C#CC(CO)(CF)OC=O;SPCDKNDXPDDWBC-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312741;MM312741;C=C1C=C(CCC)C=C1C;BKDPZFIOKBQONX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312742;MM312742;C#CC(CC)(CN)ON=C;VDDWYMUCMCCDQJ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312743;MM312743;C=C1C=C(CCN)C=C1C;MTSVQQZVXQTBBB-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312744;MM312744;C=COCCCCCO;BCTDCDYHRUIHSF-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312745;MM312745;CCCC1=CC(=O)C(C)=C1;WSABFSURVNEHQB-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312746;MM312746;C#CC(CN)(CF)ON=C;CVGVZCFJZAJXNW-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312747;MM312747;C=C1C=C(CCC)C=C1F;XMMXAMJFAHTBKM-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312748;MM312748;C#CCCCCCCO;ATCNYMVVGBLQMQ-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312749;MM312749;C=C1C=C(CCN)C=C1F;GEXQPRPGJVAKEV-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312750;MM312750;C#CC(CF)(OC)OC=C;NYVVLRFEHNGWGV-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312751;MM312751;CCCC1=CC(=O)C(F)=C1;HCJQQOUPCBQAAD-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312752;MM312752;C#CCC(C#C)(CF)OC;FGMKKICLJNQXBL-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312753;MM312753;C=CC(C=C)(CC)CCC;MWQMDSCTVANEHN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312754;MM312754;C=C1C=C(CNC)C=C1C;JPKLDVRSRMYWNL-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312755;MM312755;CC=CCCCCCO;SHPVOXFREBUEHB-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312756;MM312756;CCCC1=NC(=O)C(C)=C1;WBKBKQORWWQLQH-UHFFFAOYSA-N;137.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312757;MM312757;C=CC(C=C)(CC)CCF;DXZAWXYRYWAGGD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312758;MM312758;CC(=NN)C(C)CC(N)=O;CUQMENHCLVWCIA-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312759;MM312759;CCC(C#N)(C#N)CCF;UVEFDXODESCPEJ-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312760;MM312760;CCCC1=NC(=N)C(F)=C1;KBGKGQPUGSCKMK-UHFFFAOYSA-N;140.16;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312761;MM312761;C=CC(C=C)(CN)CCC;COXSKILHXFBVCH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312762;MM312762;CCCC1=NC(=O)C(F)=C1;VMHGGYXZBRVAND-UHFFFAOYSA-N;141.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312763;MM312763;C=CC(C=C)(CN)CCN;RMHDKWZXMUTZCK-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312764;MM312764;CCCC1=NC(=N)C(C)=N1;JTDLIZUXCKKTKR-UHFFFAOYSA-N;137.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312765;MM312765;C=CC(C=C)(CN)CCF;BXFGXDCBRGGMBD-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312766;MM312766;C=CCC1=CC(=C)C(C)=C1;ISXNCAOOLLOBFU-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312767;MM312767;NN=CCCCCCO;DJDQZUNKEVZWGC-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312768;MM312768;C=C1C=C(CC=O)C=C1C;UTMMLOUQXZJTFL-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312769;MM312769;N#CC(C#N)(CO)CCO;CREDBYBGCXIAAS-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312770;MM312770;C=C1C=C(CC#N)C=C1C;KQJYFDVQFYOJPQ-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312771;MM312771;N#CC(C=O)(CO)CCF;NYNBZXACCTZPPT-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312772;MM312772;C=CCC1=CC(=O)C(C)=C1;IPRROAKFPRIQEP-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312773;MM312773;C=CC(C=C)(CF)CCN;UXMDUWJMYFSZEB-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312774;MM312774;CC1=CC(CC#N)=CC1=O;JOQFNLOYXKSQBM-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312775;MM312775;C=CC(C#N)(CF)CCF;BDCWCXKNYUUEEL-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312776;MM312776;C=CCC1=CC(=C)C(F)=C1;PSKVDMCCBKIOFG-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312777;MM312777;CCCC(C#N)(C#N)CF;AAVSIHGBRPCGQM-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312778;MM312778;N#CC(C=O)(CF)CCO;RWYHFMNZEBREOB-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312779;MM312779;C=C1C=C(CC#N)C=C1F;JCUQDYISYQZRLA-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312780;MM312780;C=CC(C=C)(CC)CNC;ZYALAUFURBVOBS-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312781;MM312781;C=CCC1=CC(=O)C(F)=C1;MNPVLNYFXZFWKM-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312782;MM312782;C=CC(C=O)(CC)CNC;HXIQTAFIRMODDF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312783;MM312783;N#CCC1=CC(=O)C(F)=C1;ASWCPRREABSOEO-UHFFFAOYSA-N;137.11;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312784;MM312784;C=CC(C=C)(CN)CNC;CQXDDHMBUNHQNL-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312785;MM312785;C=C1C=C(NC=N)C=C1F;KCUYEPOQIZHWHH-UHFFFAOYSA-N;138.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312786;MM312786;CC#CCCCCCO;HRZGTGSWOKCUIG-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312787;MM312787;C=COC1=CC(=C)C(F)=C1;VHGMDXUEMYPWOI-UHFFFAOYSA-N;138.14;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312788;MM312788;CCC(C#N)(C#N)COC;USWLLPTWJPTFLL-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312789;MM312789;CC#CC(CC)CC(N)=O;ICUFBSBSKTZHEG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312790;MM312790;C=CC(C#N)(CO)COC;SIHDDXZVTMPUDC-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312791;MM312791;C=CCC1=NC(=O)C(C)=C1;HCSHEKNICKQNTD-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312792;MM312792;COCC(C=O)(C=O)CO;ICOYJXHTVGTZSW-UHFFFAOYSA-N;146.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312793;MM312793;CC1=CC(CC#N)=NC1=O;YDWJRPRAQVODFK-UHFFFAOYSA-N;134.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312794;MM312794;COCC(C#N)(C#N)CF;HWKJZWSWURCIMO-UHFFFAOYSA-N;142.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312795;MM312795;C#CCCCC=CC(N)=O;VWTULKNVRPORRG-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312796;MM312796;C=CC(C=C)(CCC)NC;LKLXTZFMZIOGBC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312797;MM312797;CC(=CCNC=O)C(C)C;XTPGEFWKBHZKRA-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312798;MM312798;C=CC(C=C)(CCN)NC;DHDZKVBPZWBWGG-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312799;MM312799;C=CCC1=NC(=N)C(F)=C1;KZFZSPYCJIRONX-UHFFFAOYSA-N;138.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312800;MM312800;C=CC(C=C)(CCF)NC;BXXITYOISGDZLK-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312801;MM312801;CNCC(C#N)(C#N)NC;ROFAKQRGRJEQFV-UHFFFAOYSA-N;138.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312802;MM312802;N#CCC1=NC(=N)C(F)=C1;JUYJBSFQPBJSJV-UHFFFAOYSA-N;137.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312803;MM312803;CNC(C#N)(C#N)COC;XFNMWHNUXZTTSG-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312804;MM312804;C=CCC1=NC(=O)C(F)=C1;VUOGBROLYUGVCU-UHFFFAOYSA-N;139.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312805;MM312805;C=CC(C=O)(CCF)OC;RNKXHQRWUAPBNL-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312806;MM312806;N#CCC1=NC(=O)C(F)=C1;RAWQODDQBIQOHT-UHFFFAOYSA-N;138.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312807;MM312807;COC(C#N)(C=O)CCO;SPTIHMJOAHPGBU-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312808;MM312808;C=CCC1=CC(=O)C(C)=N1;PVXCEXKJWARDKL-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312809;MM312809;CNCC(C#N)(C#N)OC;JEMVGQAMABWHQE-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312810;MM312810;CC1=NC(CC#N)=CC1=O;GJARZKKXEMFHML-UHFFFAOYSA-N;134.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312811;MM312811;CCNC(C#N)(C=O)CC;HPXUPUKFRXRIQD-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312812;MM312812;C=CCC1=NC(=N)C(C)=N1;VNSLNRWHXGKCRZ-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312813;MM312813;OCCCCCC1CC1;MFVJXTZKDXQYDR-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312814;MM312814;CC1=NC(CC#N)=NC1=N;GBKKRKRWFZCRNM-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312815;MM312815;CCOC(C=O)(C=O)OC;XTZAUDHUCFIEIN-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312816;MM312816;C=CCC1=NC(=O)C(C)=N1;VJBWYJBOBHVULD-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312817;MM312817;C=CCC(C=C)(C=C)CC;WCZYFRQHNAAOIG-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312818;MM312818;CC1=NC(CC#N)=NC1=O;OKUFVQYAMVRWKT-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312819;MM312819;C=CC(C=C)(CC)CC=O;XWALBSLGQJFHCG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312820;MM312820;C#CCC1=CC(=C)C(C)=C1;VJKKGDGIMRDLDX-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312821;MM312821;C=CC(C=C)(CC)CC#N;RHQBFEAKBPDMET-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312822;MM312822;C#CCC1=CC(=O)C(C)=C1;DXLQRECEIAXGNV-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312823;MM312823;C=CC(C#N)(CC)CC=O;UWEXAJGIRPHWFE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312824;MM312824;C#CCC1=CC(=C)C(F)=C1;NBPSEEIATCTJGK-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312825;MM312825;C=CCC(C=O)(C=O)CC;ZARNCPFNLZMJSY-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312826;MM312826;C=CCC(C=C)(C=C)CN;SMLTWOGICAYQHF-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312827;MM312827;C#CCC1=CC(=O)C(F)=C1;IDUSMYVDKRWQCL-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312828;MM312828;CC(C)(C)CCCCCO;IOFUAVGBFVXDAO-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312829;MM312829;C#CCC1=NC(=N)C(C)=C1;ZFCYHQJEQUFLJT-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312830;MM312830;C=CC(C=O)(CO)CC=O;JGFFYZDQZAUUPX-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312831;MM312831;C#CCC1=NC(=O)C(C)=C1;BHLGSMKXNRROEJ-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312832;MM312832;C=CC(C=O)(CO)CC#N;GIFJQXOGDJZVAA-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312833;MM312833;CCC1(C)NC1C(=O)C#N;YLWGZAXWCRKWSA-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312834;MM312834;C=CC(C#N)(CO)CC#N;FKQNNLLYKVUWNZ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312835;MM312835;C#CCC1=NC(=N)C(F)=C1;DHWZHBAXZUOVRI-UHFFFAOYSA-N;136.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312836;MM312836;C=CCC(C=O)(C=O)CO;XPZJTDPCDKZPIL-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312837;MM312837;C#CCC1=NC(=O)C(F)=C1;NFPVTNBMMSGSOL-UHFFFAOYSA-N;137.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312838;MM312838;C=CCC(C#N)(C=O)CO;UFRMNKMQHVMUMP-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312839;MM312839;C#CCC1=CC(=O)C(C)=N1;IXMHRFHPHXFBFD-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312840;MM312840;O=CCC(C=O)(C=O)CO;DXDRKJJSNQLZBE-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312841;MM312841;C#CCC1=NC(=N)C(C)=N1;ATNOXEFLTXFNKD-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312842;MM312842;C=CC(C=C)(CF)CC=O;VRVKZEKSFSIBEA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312843;MM312843;C#CCC1=NC(=O)C(C)=N1;TUIYHADLYPRCBF-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312844;MM312844;C=CC(C=O)(CF)CC=O;WZUMBNOBWGROQD-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312845;MM312845;CC=CC1=CC(C)C(C)=C1;SONYAACFZODBBS-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312846;MM312846;C=CC(C#N)(CF)CC=O;ZWLKCBLQMSQGFG-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312847;MM312847;CC=CC1=CC(N)C(C)=C1;OBMOXNDZXFEYMA-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312848;MM312848;N#CCC(C#N)(C#N)CF;ALIBCQVXTNVHQV-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312849;MM312849;CC=CC1=CC(O)C(C)=C1;VFQXZHDQNAAIDZ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312850;MM312850;C=CCC(C=C)(C=C)NC;NKBAFADTNBEQNX-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312851;MM312851;CC=CC1=CC(F)C(C)=C1;BZUSVZQLTJOXJQ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312852;MM312852;C=CC(C=C)(CC=O)NC;KMMRDRZHPSRPDZ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312853;MM312853;CC=CC1=CC(C)C(F)=C1;NJEJFOJMKDOYRK-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312854;MM312854;CC(C)(O)CCCCCO;XICLOMYOBVKLTR-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312855;MM312855;CC=CC1=CC(O)C(F)=C1;XFKGENCMYZWXQI-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312856;MM312856;CNC(C=O)(C=O)CC#N;GGZINPMOGXHFFA-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312857;MM312857;CCC(CCC(N)=O)=NN;NIXQLEALVHBCFG-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312858;MM312858;CC(C)(C#CC#N)CCO;SQZHWOFZEDORCE-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312859;MM312859;CCC(C)C(C)C(=O)NC;KYPISZJXIKKFLV-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312860;MM312860;CNC(C#N)(C=O)CC#N;MSNFMUZLFKMJDG-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312861;MM312861;CC=Cc1cc(C)n(C)c1;LITZMOLFTXBXQJ-UHFFFAOYSA-N;135.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312862;MM312862;CNC(C#N)(C#N)CC#N;QEMHIUBRHRCVLZ-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312863;MM312863;CC=Cc1cc(C)n(N)c1;UVUUUKBXHIXIPD-UHFFFAOYSA-N;136.2;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312864;MM312864;C=CC(C=C)(CC#N)OC;FIOZDDSPAFKRBZ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312865;MM312865;CC=Cc1cc(C)n(O)c1;OQHGIXDMZWDMJD-UHFFFAOYSA-N;137.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312866;MM312866;C=CC(C#N)(CC#N)OC;NTBPQWUDSZLQNM-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312867;MM312867;CC=Cc1cc(N)n(C)c1;HCNDEXNAHLRFPH-UHFFFAOYSA-N;136.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312868;MM312868;C=CC(C#N)(CC)NC=O;TWZUZLFZVFGESG-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312869;MM312869;CC=Cc1cc(N)n(N)c1;CBFGEDMASZICPR-UHFFFAOYSA-N;137.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312870;MM312870;C=CC(C=C)(CO)NC=N;MAGHKBGTPXDUQF-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312871;MM312871;CC=Cc1cc(N)n(O)c1;ANNNUUPWRLBIIB-UHFFFAOYSA-N;138.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312872;MM312872;C=CC(C=C)(CO)NC=O;CHUQRUIOULHWRS-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312873;MM312873;CC=Cc1cc(O)n(C)c1;GJFIUIZBOUTCID-UHFFFAOYSA-N;137.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312874;MM312874;C=CC(C=O)(CO)NC=O;SGBZAVDKCVMIFL-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312875;MM312875;CC=Cc1cc(F)n(N)c1;XPQQYPSFUDAPLQ-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312876;MM312876;C=CC(C#N)(CO)NC=O;SGEJAGCLELYOTB-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312877;MM312877;CC=Cc1cc(C)n(C)n1;HIBVSRKUGXBTKV-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312878;MM312878;CCC(C)(C)CCCCO;DJTOJEYUCWOUBO-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312879;MM312879;CC=Cc1cc(C)n(N)n1;DHJJWWMPJINION-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312880;MM312880;N#CC(C#N)(CF)NC=O;WKUBVGBDXGHOCQ-UHFFFAOYSA-N;141.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312881;MM312881;CC=Cc1cc(C)n(O)n1;PLGKIFNQDZKPQW-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312882;MM312882;CC(C)(CO)CCCCO;UYZUYVVDLFXCCV-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312883;MM312883;CC=Cc1cn(C)c(C)n1;WDNBAIVHZWTQET-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312884;MM312884;CCC(C)(F)CCCCO;UQMUMVXVQLUQMV-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312885;MM312885;CC=Cc1cn(N)c(C)n1;ZWUJKSJQMCIGCJ-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312886;MM312886;CCC(F)(F)CCCCO;RPSOLGLWBUFVPL-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312887;MM312887;CCC(C#N)(C#N)OC=O;NHHZCYDKMSSGIB-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312888;MM312888;Cc1c(N)c(N)c(C)n1O;KOQVRAPYDAPVBX-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312889;MM312889;C=CC(C=C)(CN)OC=O;KQXASLPFDMHTCI-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312890;MM312890;C=C1C=C(C=CC)C=C1C;BKAMSFWBZSJUIZ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312891;MM312891;C=COC(C#N)(C=O)CO;TVUMAQCFGQZRFP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312892;MM312892;CC=CC1=CC(=O)C(C)=C1;CODNNTSWPJDBAO-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312893;MM312893;N#CC(C#N)(CO)OC=O;RPECONJIVOIODD-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312894;MM312894;C=C1C=C(C=CC)C=C1F;NAUBNOZRMOCLQC-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312895;MM312895;C=COC(C#N)(C#N)CF;GSXKUMCRBIYEMI-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312896;MM312896;CC=CC1=CC(=O)C(F)=C1;ATFKNTYGFPIUPY-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312897;MM312897;C=NOC(C#N)(C#N)CC;PGWIRVNZBIJORK-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312898;MM312898;C=C1C=C(C=NN)C=C1C;YKNNCNHCESRRAH-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312899;MM312899;COC(C)(C)CCCCO;ZGVJMLNBLOJLOP-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312900;MM312900;C=C1C=C(C=NN)C=C1F;SYRLBTKBMUPSIC-UHFFFAOYSA-N;138.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312901;MM312901;C=COC(C=C)(C=O)OC;UTPPQXPOGSHWFG-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312902;MM312902;CC=CC1=NC(=N)C(C)=C1;JQYFBGRCLZFAJE-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312903;MM312903;C=COC(C#N)(C=C)OC;MRIYDSQPIWJYGU-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312904;MM312904;CC1=CC(=CC=N)NC1=N;YOVZYIAFBONJOU-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312905;MM312905;C=CC(C#N)(OC)OC=O;KWHQPYNLFMDMJY-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312906;MM312906;CC=CC1=NC(=O)C(C)=C1;AMPNYSBVOSQKTB-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312907;MM312907;C=CC(C=O)(OC)ON=C;DALWMXKEFICSCV-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312908;MM312908;C=CCNc1noc(=O)o1;NDUVQGIPXIYHAG-UHFFFAOYSA-N;142.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312909;MM312909;C=CC(C#N)(OC)ON=C;ZKEQPSLYSDYFFC-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312910;MM312910;CC=CC1=NC(=N)C(F)=C1;LCKLGFMLVKAHPF-UHFFFAOYSA-N;138.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312911;MM312911;C=NOC(C#N)(C=O)OC;HEQKSMQOWIQPGF-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312912;MM312912;C#CCC(C=C)(C=C)CC;JHOKRBSGELAMRG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312913;MM312913;CC=CC1=CC(=O)C(C)=N1;OVISXNWYONQKFN-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312914;MM312914;C#CCC(C=O)(C=O)CC;HDKISCBRILSGMU-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312915;MM312915;CC#CC1=CC(C)C(C)=C1;REOAEOBBDYSNGB-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312916;MM312916;C#CCC(C=C)(C=C)CN;RHKPGJVXFHUKIN-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312917;MM312917;CC#CC1=CC(N)C(C)=C1;YVZFTUUZHFEDLB-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312918;MM312918;C#CCC(C=C)(C=C)CF;AVHSACDERHRLJH-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312919;MM312919;CC#CC1=CC(O)C(C)=C1;CERFULFFXRCXRI-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312920;MM312920;C#CCC(C#N)(C=O)CF;UIJDIRBKQQDSOG-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312921;MM312921;CC#CC1=CC(F)C(C)=C1;YNXVJYFSAACONC-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312922;MM312922;C#CCC(C=C)(C=C)NC;DVKWSHYYDTUSJG-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312923;MM312923;CC#CC1=CC(C)C(F)=C1;ATNJGMKKCXUSRB-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312924;MM312924;C=CC(C)(C)CCCCO;DURFEMAEONPDLJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312925;MM312925;CC#CC1=CC(O)C(F)=C1;PLWRGKZOJHTBQQ-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312926;MM312926;C#CCC(C=O)(C=O)OC;URBHPTOYHABXFX-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312927;MM312927;CC#Cc1cc(C)n(C)c1;GTOZRJSNNLJYTG-UHFFFAOYSA-N;133.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312928;MM312928;C#CCC(C#N)(C=O)OC;DDEDWRYVIOYWML-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312929;MM312929;CC#Cc1cc(C)n(N)c1;HOBPDZRHHCZLPN-UHFFFAOYSA-N;134.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312930;MM312930;C#CCC(C#N)(C#N)OC;OSPBMNPHCVLRED-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312931;MM312931;CC#Cc1cc(C)n(O)c1;HRHSPURBVFLQMU-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312932;MM312932;C#CC(C=C)(CC)CCF;RSRPVROPZOTIRL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312933;MM312933;CC#Cc1cc(N)n(C)c1;ZIXZAKZUBKBPPI-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312934;MM312934;C#CC(C=O)(CC)CCO;GEUDTWLFQVVISS-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312935;MM312935;CC#Cc1cc(N)n(N)c1;DLDPQWPLUNXMNA-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312936;MM312936;C#CC(C#N)(CC)CCO;CTGPLBFLDJIUEF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312937;MM312937;C#CC(C=O)(CC)CCF;DAVFHRHBQIOFCP-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312938;MM312938;CC#Cc1cc(N)n(O)c1;AQRQJSQNFFHFEL-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312939;MM312939;C#CC(C=C)(CN)CCC;IAHONEZCVWVTRI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312940;MM312940;CC#Cc1cc(O)n(C)c1;FWVPSUOFDPUTOL-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312941;MM312941;C#CC(C=C)(CN)CCN;AXZCKTOCZSHQDL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312942;MM312942;CC#Cc1cc(O)n(N)c1;HWXKMFRDWUINNT-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312943;MM312943;C#CC(C=C)(CF)CCF;XVDAGNNGHNMNBP-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312944;MM312944;CC#Cc1cc(O)n(O)c1;RSXMXCMTRGKPFQ-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312945;MM312945;C#CC(C=O)(CF)CCO;IVTIPJWISSDBPO-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312946;MM312946;CC#Cc1cc(F)n(C)c1;GQIQHKDLPGPANE-UHFFFAOYSA-N;137.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312947;MM312947;C#CC(C=O)(CF)CNC;WZWITNSKGATZOD-UHFFFAOYSA-N;143.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312948;MM312948;CC#Cc1cc(F)n(N)c1;IGGFCWZSQAIPKK-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312949;MM312949;C#CC(C=C)(CNC)NC;HAJHVACCXQIBBD-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312950;MM312950;CC#Cc1cc(F)n(O)c1;SHXDMFPNDFTLLI-UHFFFAOYSA-N;139.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312951;MM312951;C#CC(C=O)(CNC)NC;VDFKTILZMXQNFO-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312952;MM312952;CC#Cc1cc(C)n(C)n1;SMIPKHYHNAXDSM-UHFFFAOYSA-N;134.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312953;MM312953;C#CC(C#N)(CC)NCC;GJOACNMVGNGVJJ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312954;MM312954;CC#Cc1cc(C)n(N)n1;KLCNMNTXJFNZKY-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312955;MM312955;C#CC(C=O)(CO)OCC;OPXXGPNQEQJGHA-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312956;MM312956;CC#Cc1cc(C)n(O)n1;PFXOUOZGZLHZGB-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312957;MM312957;C#CC(C=O)(CC)CC=C;ZPJYTYLKMCCRSO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312958;MM312958;CC#Cc1cc(N)n(C)n1;OSEMGGRMBRPYDA-UHFFFAOYSA-N;135.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312959;MM312959;C#CC(C=O)(CC)CC=O;VPFMJKIJOIPUDE-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312960;MM312960;CC#Cc1cc(N)n(N)n1;JFJKZEGFODHQGJ-UHFFFAOYSA-N;136.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312961;MM312961;C#CC(C#N)(CC)CC#N;LHHCPUFYAJKIIT-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312962;MM312962;C#CC(C=C)(CN)CC=C;NDLAHLYHEYMVHS-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312963;MM312963;CC#Cc1cc(N)n(O)n1;PYMOAKIWTNWVCK-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312964;MM312964;C#CC(C=O)(CO)CC#N;POBASSRMYKDZIO-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312965;MM312965;COC(C)C(O)C(=O)O;HXGKXDWXDMCHDY-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312966;MM312966;C#CC(C=C)(CC=C)NC;LQRMZSHZSCQYCP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312967;MM312967;CC(C)(O)C(O)C(=O)O;JTEYKUFKXGDTEU-UHFFFAOYSA-N;134.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312968;MM312968;C#CC(C=O)(CC#N)NC;WRZLHQLGVAIHMV-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312969;MM312969;COC(C(=O)O)C(C)O;OSIDJZDSLWJACU-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312970;MM312970;C#CC(C=C)(CC=O)OC;MJUKIVIRZGHSKP-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312971;MM312971;CC#Cc1cc(F)n(C)n1;QWQFQOIWEGGYRH-UHFFFAOYSA-N;138.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312972;MM312972;C#CC(C=O)(CC=O)OC;NJQYIIQBLVLQLP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312973;MM312973;CC#Cc1cc(F)n(N)n1;BFXNCQBMOHQOLO-UHFFFAOYSA-N;139.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312974;MM312974;C#CC(C=C)(CC)NC=N;LBVFRRNHBUEJQS-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312975;MM312975;CC#Cc1cn(C)c(C)n1;CXMQWSKBBMWZGM-UHFFFAOYSA-N;134.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312976;MM312976;C#CC(C=C)(CO)NC=N;YTRUQZKYBHTFGL-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312977;MM312977;CC#Cc1cn(N)c(C)n1;GNKSOQXZPGCADE-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312978;MM312978;C#CC(C=C)(CO)NC=O;AWKZUINFBNDSCO-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312979;MM312979;CN=C1C=C(CC=O)C=N1;KKNOACTVBZCTIR-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312980;MM312980;C#CC(C=O)(CO)NC=O;WATZOMLVLSPZRD-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312981;MM312981;CC#Cc1cn(N)c(N)n1;DPZJOZMMDZSZJD-UHFFFAOYSA-N;136.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312982;MM312982;C#CC(C=C)(CF)NC=O;HSMLYOIOBKTPLQ-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312983;MM312983;CNC(=O)CC(C)(C)C;NUJMTBRJXROCOI-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312984;MM312984;C#CC(C#N)(CF)NC=O;BNJLSUJFNGAWTA-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312985;MM312985;CC#Cc1cn(C)c(O)n1;ORBYJKCYPVGVTB-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312986;MM312986;CC(C)(C=O)CCCCO;YJCOLKBHLUKFCQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312987;MM312987;CC#Cc1cn(N)c(O)n1;DQWHLTBAFWQLJS-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312988;MM312988;C#CC(C=C)(CN)NN=C;ZPLFSGGTWMANPJ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312989;MM312989;CC(C)(C#N)CCCCO;WHVBQQXLKXPNOD-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312990;MM312990;CC#Cc1cn(O)c(O)n1;ADHUXGVCYNRYQY-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312991;MM312991;C#CC(C#N)(CO)OC=C;DCMMJTRPLLEFDJ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312992;MM312992;CC#Cc1nc(C)n(C)n1;YEKBNFZYKNAEBE-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312993;MM312993;C=CC(C)(O)CCCCO;YNQJNAOSROVLSS-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312994;MM312994;CC#Cc1nc(C)n(N)n1;GWCVQYIYYYNAAY-UHFFFAOYSA-N;136.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312995;MM312995;C#CC(C=O)(OC)OC=O;XGUANOCJGHQSBL-UHFFFAOYSA-N;142.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312996;MM312996;CC#Cc1nc(N)n(C)n1;FQEWSOOKIWSIPS-UHFFFAOYSA-N;136.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312997;MM312997;C=CC(C)(F)CCCCO;UDURAVVIXUBJIY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312998;MM312998;CCNC(N)=CC(N)=O;VQMKTCBGJVJFCH-UHFFFAOYSA-N;129.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM312999;MM312999;C#CCC(C#C)(C=O)OC;CKEQASRYVSRQLI-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313000;MM313000;CCOC(CO)C(=O)O;UJKIRDUWRPYEBK-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313001;MM313001;C#CC(C#C)(CC)CCN;CVIWBOMISOLYCE-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313002;MM313002;C=C1C=C(C#CC)C=C1C;ZPHAHJLMGPOPAE-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313003;MM313003;C#CC(C#C)(CC)CCF;FGOOARZENRYUPK-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313004;MM313004;CC#CC1=CC(=O)C(C)=C1;WGTFJBGXDGGRKJ-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313005;MM313005;C#CC(C#C)(CC)CNC;MMPRHPGCQAYNLC-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313006;MM313006;C=C1C=C(C#CC)C=C1F;NZAAEIRQVMBIEI-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313007;MM313007;C#CC(C#C)(CN)COC;VQJNFUMAAFROOK-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313008;MM313008;CC#CC1=CC(=O)C(F)=C1;LSMBAAMXBINPMA-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313009;MM313009;C#CC(C#C)(CO)NC=O;FDQQRUWZEUPNCV-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313010;MM313010;CC#CC1=NC(=N)C(C)=C1;VZUNOJIYIRHYHE-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313011;MM313011;C#CC(C#C)(CN)OC=C;NTWSCHXXGDEHDB-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313012;MM313012;CC#CC1=NC(=O)C(C)=C1;JUTSNRZBMGLGOC-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313013;MM313013;CC(F)(C=O)CCCCO;OLARJVRGSSHWEK-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313014;MM313014;C=CC(N)=C(C)C(N)=O;HUYKXZANXUKBLF-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313015;MM313015;CC(F)(C#N)CCCCO;VVNJWMQOPUPIHK-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313016;MM313016;CC#CC1=NC(=N)C(F)=C1;NWQHLISJQAXRFM-UHFFFAOYSA-N;136.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313017;MM313017;C=CC(C=C)(C=O)CCF;GOSBYMXMZDULQR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313018;MM313018;CC#CC1=NC(=O)C(F)=C1;UZCIKOMSJBKHHU-UHFFFAOYSA-N;137.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313019;MM313019;C=CC(C=O)(C=O)CCO;GUKHYABGOHMVNB-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313020;MM313020;CC#CC1=CC(=O)C(C)=N1;JBRRLRVQTXWVSQ-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313021;MM313021;N#CC(C=O)(C=O)CCO;GVTACCUPHSHOBY-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313022;MM313022;CC#CC1=NC(=N)C(C)=N1;DZVBWNWZLSQBLL-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313023;MM313023;C=CC(C=C)(C=C)CNC;SJEDZAVMODHGNK-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313024;MM313024;CC#CC1=NC(=O)C(C)=N1;GXEYAMBXKUOKAT-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313025;MM313025;C=CC(C=C)(C=O)CNC;UYYJNUHJLRNGFF-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313026;MM313026;CC1=C(F)CC(CCN)C1;XNWMMZHNTGVDTL-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313027;MM313027;CNCC(C#N)(C#N)C#N;YXDVXLPCCITXKR-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313028;MM313028;CCNC1CC(C)=C(C)C1;NMNCESZJZSNGCK-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313029;MM313029;C=CC(C=C)(C=C)COC;ZHJRYPRSZZOLPK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313030;MM313030;CCNC1CC(F)=C(F)C1;XRVLQAWNIMJRMP-UHFFFAOYSA-N;147.17;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313031;MM313031;C=CC(C=C)(C=O)COC;WJCFPGWXMUWIOG-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313032;MM313032;C=CCC1CC(F)=C(F)C1;GEZNLDUUHNEEOZ-UHFFFAOYSA-N;144.16;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313033;MM313033;C=CC(C#N)(C=C)COC;ILZPFJDPZOPGBQ-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313034;MM313034;N#CCC1CC(F)=C(F)C1;RNIPISKBZMUDCS-UHFFFAOYSA-N;143.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313035;MM313035;C=CC(C#N)(C=O)COC;YUONAQGHIWELBA-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313036;MM313036;N=CNC1CC(F)=C(F)C1;CJTQBTZYFRFTQH-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313037;MM313037;C=CC(C#N)(C=C)NCC;STTFFMOBMSKIDD-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313038;MM313038;C=NNC1CC(F)=C(F)C1;RULVFAOQHTXLQU-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313039;MM313039;C=CC(C=O)(C=O)NCC;IWXBLSHRACUGNP-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313040;MM313040;C#CCC1CC(C)=C(F)C1;SEUVLKLBSVLLGJ-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313041;MM313041;C=CC(C#N)(C#N)NCC;FWRFZHHJGSCEBL-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313042;MM313042;C=CC(C#N)(C#N)OCC;JTWSRNFXVMZHQL-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313043;MM313043;C#CCC1CC(F)=C(F)C1;VRTQPAXJDFYUGD-UHFFFAOYSA-N;142.15;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313044;MM313044;C=CCC(C=C)(C=C)C=C;PPVQDVAXAFIPJY-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313045;MM313045;C#CCN1CC(C)=C(C)C1;ZWBTWZGBRXRJJZ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313046;MM313046;C=CC(C=C)(C=C)CC=O;NIHCGSBBXJTRIG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313047;MM313047;CC=CC1CC(C)=C(C)C1;LNGJRCXVOILVRK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313048;MM313048;C=CCC(C=C)(C=O)C=O;UBCIHCBFJDBILO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313049;MM313049;CC=CC1CC(C)=C(F)C1;OISIJWBPEQJUNN-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313050;MM313050;C=CC(C#N)(C#N)CC#N;YKYQLOJBEYUBBO-UHFFFAOYSA-N;131.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313051;MM313051;CC=CC1CC(F)=C(F)C1;HEMUYBSKWSGAJQ-UHFFFAOYSA-N;144.16;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313052;MM313052;O=CCC(C=O)(C=O)C=O;GDUBISTZWFLBIB-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313053;MM313053;CC=NN1CC(C)=C(C)C1;POAKUOYOGDEKPL-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313054;MM313054;N#CC(C#N)(C#N)CC=O;MHDIINLYFGXNHZ-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313055;MM313055;CC#CC1CC(C)=C(C)C1;XAYPPVHPOBWMTH-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313056;MM313056;CC#CC1CC(C)=C(F)C1;ZFONBQDHHWEKHQ-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313057;MM313057;C=CC(C=C)(C=O)NC=O;YGGCTBNDZYGUCI-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313058;MM313058;C=CC(C#N)(C=C)NC=O;XOGDHCXZKZAZJM-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313059;MM313059;CC#CC1CC(F)=C(F)C1;FHXWJAZXJUBXAU-UHFFFAOYSA-N;142.15;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313060;MM313060;CCC=C1CC(C)=C(C)C1;KILPJZBXGWFLNZ-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313061;MM313061;C=CC(F)(F)CCCCO;VMGJOEZUGLWGNN-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313062;MM313062;CC1=C(C)CC(=CCN)C1;AUUITFVVHJCDPV-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313063;MM313063;C=CC(C=C)(C=O)OC=O;LSGSPTBXVUGCSN-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313064;MM313064;CC1=C(C)CC(=CCO)C1;NBEPPMUCTYCQCG-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313065;MM313065;C=COC(C#N)(C#N)C=C;OQUVEECUCKMXPU-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313066;MM313066;CCC=C1CC(C)=C(F)C1;SSLFLXKBSWLBRX-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313067;MM313067;C=CC(C#N)(C#N)OC=O;HETTUJIQWPKFQT-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313068;MM313068;CC1=C(F)CC(=CCN)C1;JPCMOZLAHMCBME-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313069;MM313069;C=COC(C#N)(C=O)C=O;DIQCJBJZIIJSGT-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313070;MM313070;CCC=C1CC(F)=C(F)C1;MJFVMEIGNMMFGX-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313071;MM313071;C=COC(C#N)(C#N)C=O;VMALKHFLOZSYAN-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313072;MM313072;NCC=C1CC(F)=C(F)C1;LMPOAYNTTSAKMQ-UHFFFAOYSA-N;145.15;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313073;MM313073;C=COC(C#N)(C#N)C#N;QOFHZKLMBYDHAR-UHFFFAOYSA-N;133.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313074;MM313074;CCC=C1CC(C)=C(C)O1;HWIWNWMHKKOKFT-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313075;MM313075;C=CC(C=O)(C=O)ON=C;AJSRBOFCMKVVHL-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313076;MM313076;CCC=C1CC(F)=C(C)O1;OHKJVDLFECEZBK-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313077;MM313077;C#CCC(C=C)(C=C)C=C;UFKKOJZWQHMSRQ-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313078;MM313078;C=CC(=C)CCNC=O;MMOAFBNEZINKCJ-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313079;MM313079;C#CCC(C=C)(C=C)C=O;YFYTZKHARQEGMX-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313080;MM313080;C#CCC1ONC(=N)O1;KARDWTSDPAPXGQ-UHFFFAOYSA-N;126.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313081;MM313081;C#CCC(C#N)(C#N)C=O;CMRGNKJYCUHPIU-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313082;MM313082;C=CC(C)C(=NO)C(=O)O;OBNPERCOLIITAW-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313083;MM313083;C#CC(C=C)(C=C)CCF;FGODTVAIZCWGAC-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313084;MM313084;N=C1C=C(CC=O)C=N1;ZFGKUUPGMNYXET-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313085;MM313085;C#CC(C#N)(C=C)CCO;BHGMPAOKWTWGQX-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313086;MM313086;N#CC(C=O)NCCF;GZRDOQFSOTXHHP-UHFFFAOYSA-N;130.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313087;MM313087;C#CC(C=C)(C=C)CNC;KYHJFETWGJUDKK-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313088;MM313088;C=CC=CCCNC=O;XJRQDVTYJFEUNC-UHFFFAOYSA-N;125.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313089;MM313089;C#CC(C#N)(C#N)COC;AGLFGGIJJFNGNQ-UHFFFAOYSA-N;134.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313090;MM313090;C=CC=NN=CC(=O)O;KOELICPJRRTFRG-UHFFFAOYSA-N;126.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313091;MM313091;C#CC(C#N)(C#N)OCC;NRLPADLQVJHFIY-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313092;MM313092;O=C(CO)NOC=NO;MSUJMFXRHIQHKK-UHFFFAOYSA-N;134.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313093;MM313093;C#CC(C=C)(C=C)CC=O;SORWFCFFWGOBAM-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313094;MM313094;CNN=c1oc(F)c(F)o1;FXORXJDQYMRIRD-UHFFFAOYSA-N;150.08;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313095;MM313095;C#CC(C#N)(C=C)CC=C;QYPDSXHPMSDTGQ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313096;MM313096;CON=c1oc(C)c(C)o1;QUQBHJAYJJNFLO-UHFFFAOYSA-N;143.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313097;MM313097;C#CC(C#N)(C=C)CC=O;KNCLOTPPMAEZIH-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313098;MM313098;CON=c1oc(C)c(N)o1;SLHOCUZRWSLJDI-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313099;MM313099;C#CC(C)(C)CCCCO;TVUKYDMOEPLOEM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313100;MM313100;CON=CONC(=O)CO;OYUFTAXWSKSHGS-UHFFFAOYSA-N;148.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313101;MM313101;C#CC(C)(F)CCCCO;JACUCRKQYGEFPJ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313102;MM313102;CON=c1oc(C)c(F)o1;CZMUGHXRQNHKNK-UHFFFAOYSA-N;147.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313103;MM313103;CON=c1oc(N)c(N)o1;MMKAGAZNUCCCJI-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313104;MM313104;C#CC(C#N)(C=O)OC=C;TUIYRLUVSHPSJR-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313105;MM313105;CON=c1oc(N)c(F)o1;VCMYZTOFAPCWER-UHFFFAOYSA-N;148.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313106;MM313106;C#CC(C#N)(C#N)OC=O;ZCPDZWZPVUBJFT-UHFFFAOYSA-N;134.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313107;MM313107;O=C(O)CC(CO)=NO;SWMHLWAXXRSZGF-UHFFFAOYSA-N;133.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313108;MM313108;C#CC(C#N)(C#N)ON=C;QYWZWMFPZOXSBT-UHFFFAOYSA-N;133.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313109;MM313109;N=c1cc[nH]nnc1=O;LLLRMTKVMBQNEC-UHFFFAOYSA-N;124.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313110;MM313110;C#CCC(C#C)(C=C)C=C;WXLHYHYEMRQAMY-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313111;MM313111;CON=c1oc(F)c(F)o1;MSQRQUAUZXVYOH-UHFFFAOYSA-N;151.07;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313112;MM313112;C#CCC(C#C)(C#N)C=C;WENGHRZWGQZQHP-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313113;MM313113;C=CC=C1CC(C)=C(C)C1;SVDKPJUEDQFMEA-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313114;MM313114;C=CC(=C)CC(=C)C(N)=O;BUUSFQDDYUBEMG-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313115;MM313115;CC1=C(C)CC(=CC=O)C1;LZSYTRKOLVPBJK-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313116;MM313116;C#CC(C#C)(C#N)CCO;QTLALVGRVPIRFF-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313117;MM313117;CC1=C(C)CC(=CC#N)C1;FJBVHJYBVJRUQA-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313118;MM313118;C#CC(C#C)(C=O)OCC;MJTAXBGQHDGPRQ-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313119;MM313119;C=CC=C1CC(C)=C(F)C1;YNUQZAKBKIWSOM-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313120;MM313120;C#CC(C#C)(C=C)CC=O;WELABVFCFHRJJV-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313121;MM313121;CC1=C(F)CC(=CC=O)C1;QPLJBTGKBJNUFL-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313122;MM313122;C#CC(C#C)(C=C)CC#N;YQPBVDKTOVLGPP-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313123;MM313123;CC1=C(F)CC(=CC#N)C1;BYQURQZHEVHBTQ-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313124;MM313124;C#CC(C#C)(C=C)NC=O;UIJSBLOCDBXOKY-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313125;MM313125;C=CC=C1CC(F)=C(F)C1;DWXBLYCZNQXUJN-UHFFFAOYSA-N;142.15;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313126;MM313126;CC(O)C=CC(C)CCF;ZNZDSPKPPHBBBC-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313127;MM313127;O=CC=C1CC(F)=C(F)C1;MSLPTZZBBPZTTO-UHFFFAOYSA-N;144.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313128;MM313128;C#CC(C#C)(C#N)NC=O;MHLRDQGDKYXWAF-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313129;MM313129;N#CC=C1CC(F)=C(F)C1;DCVWYFOHEWFSBY-UHFFFAOYSA-N;141.12;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313130;MM313130;C=CCC(C)C=CC(C)O;KOGZGPKUTNZGGU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313131;MM313131;CCC(C)C(C)(C)NC=O;BLKLPBJHKKIUGR-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313132;MM313132;C#CC(C#C)(C=O)OC=C;JAEHSKYGBVGUNK-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313133;MM313133;CC1=C(C)N=C(NC=N)C1;LDCSMWMQUDYFGP-UHFFFAOYSA-N;137.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313134;MM313134;C#CC(C#C)(C#N)OC=C;AHOVVGMIUMFHPQ-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313135;MM313135;COC=CC(C)CC(N)=O;RUBQEXFWZYHFHM-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313136;MM313136;C#CC(C#C)(C#N)OC=O;KMAHWERUTUHAGI-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313137;MM313137;C=CC=C1CC(C)=C(C)O1;VQZYJCXDQPFIFI-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313138;MM313138;C#CC(C#C)(C=C)ON=C;ARIXRZZLCBXPTG-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313139;MM313139;C=CC=C1CC(F)=C(C)O1;AMKYVOMOWPGLNG-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313140;MM313140;C#CCC(C#C)(C#C)C=C;XYKXQHGOFCESML-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313141;MM313141;C=NN=c1oc(C)c(C)o1;AMCXHQGJHDBIIF-UHFFFAOYSA-N;140.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313142;MM313142;C#CC(C#C)(C#C)CCN;KHTHUYVRRHAWCX-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313143;MM313143;C=NN=c1oc(C)c(N)o1;IKRXOPRTSQYZLS-UHFFFAOYSA-N;141.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313144;MM313144;CC(O)C=CC(C)CC=O;VEOLPWMIQOQDTB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313145;MM313145;C#CC1(CF)NC1C(=O)O;BLPPVVRHEUKROV-UHFFFAOYSA-N;143.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313146;MM313146;C#CC(C#C)(C#C)COC;AUJNELACIAPVOW-UHFFFAOYSA-N;132.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313147;MM313147;C=NN=c1oc(C)c(F)o1;FWFCBFPUHQSNEP-UHFFFAOYSA-N;144.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313148;MM313148;C#CC(C#C)(C#C)OCC;ULVWNNHHXMFXOA-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313149;MM313149;C=NN=c1oc(N)c(N)o1;MTWMZTWDFWRDJF-UHFFFAOYSA-N;142.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313150;MM313150;C#CC(C#C)(C#C)CC#N;KOQYCTMZHIGWPG-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313151;MM313151;C=NN=c1oc(N)c(F)o1;JZFJNDRLVZOZLG-UHFFFAOYSA-N;145.09;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313152;MM313152;CC(O)C=CC(C)CC#N;RDWVUNHMBPUFDE-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313153;MM313153;CCNN=C(N)C(=O)O;LVZYEAMUJQQTHQ-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313154;MM313154;C#CC(C#C)(C#C)OC=C;AEZCGANCBQLBFV-UHFFFAOYSA-N;130.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313155;MM313155;Nn1[nH]n(O)c(=O)c1=O;ASHMHEMRHKAHQX-UHFFFAOYSA-N;132.08;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313156;MM313156;C#CC=C1CC(C)=C(C)C1;YRBALKDXUMRFME-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313157;MM313157;C#CC(C#C)(C#C)OC=O;ASPSVJAEUKTPPK-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313158;MM313158;C#CC=C1CC(C)=C(F)C1;WOALOMGCJQMHKZ-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313159;MM313159;C#CC(C#C)(C#C)ON=C;AIISTKRDBDZAEE-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313160;MM313160;C#CC=C1CC(F)=C(F)C1;SRTGMLPEKLGLBF-UHFFFAOYSA-N;140.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313161;MM313161;C#CCC(C#C)(C#C)C#C;BTZPGBUGORVJAC-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313162;MM313162;C#CC=C1CC(C)=C(C)O1;IGPXNKBTMPKYMT-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313163;MM313163;CC=CC(CC)(CC)CC;UQHKOTXGFLJYEV-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313164;MM313164;C#CC=C1CC(F)=C(C)O1;JLWNACCYVLRCRH-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313165;MM313165;CCC(C=CF)(CC)CC;HSSVZHOUBWSNMP-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313166;MM313166;CCCC1=CC(C)=C(C)C1;QRYCRICRAJMNAP-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313167;MM313167;CCC(C=CF)(CC)CN;LEMVAHMFCUABLL-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313168;MM313168;CC1=C(C)CC(CCN)=C1;QHOCXUHRLSUMHP-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313169;MM313169;CC=CC(CC)(CN)CN;FKWDBUYNXZAYFY-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313170;MM313170;CCCC1=CC(F)=C(C)C1;VVAYUAKFVLFGKM-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313171;MM313171;OCC(C=CF)(CO)CO;VAJACFBVACVFGH-UHFFFAOYSA-N;150.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313172;MM313172;CC1=C(F)C=C(CCN)C1;XMIIKRFOLZACRA-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313173;MM313173;OCC(C=CF)(CF)CF;JMPWPYOQBRQFIA-UHFFFAOYSA-N;154.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313174;MM313174;CCCC1=CC(C)=C(F)C1;QWUOWRHJNHSRAY-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313175;MM313175;CCC(C=NO)(CC)CO;BMESRTZAFOGJRM-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313176;MM313176;CC1=C(F)CC(CCN)=C1;RMFWGBCDQSNQQI-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313177;MM313177;CCC(C=NO)(CN)CF;DGVCIUWSQAMCSO-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313178;MM313178;CCCC1=CC(F)=C(F)C1;CFKWEMMKIRBKDR-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313179;MM313179;NCC(C=NO)(CO)CO;HYGPIGBYJZSGPM-UHFFFAOYSA-N;148.16;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313180;MM313180;CNCC1=CC(C)=C(C)C1;UPTLJCSYTAIRBV-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313181;MM313181;CC(O)C=CC(C)C(C)O;FPMYIDFYBQAUDI-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313182;MM313182;CCCc1cc(C)c(C)[nH]1;MWGNCWSWDROKAZ-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313183;MM313183;OCC(C=NO)(CO)CO;DVPYGRPVWJZJIE-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313184;MM313184;C=CC(C)(C)C(C)NC=O;MYGUIHMRHGSODT-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313185;MM313185;CC=CC(CC)(CC)NC;MYAVSFOXTSNMGC-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C4";;;;;;;3.53;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313186;MM313186;CCCc1cc(F)c(C)[nH]1;QRUKLSQFMSVHLF-UHFFFAOYSA-N;141.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313187;MM313187;CC=CC(CC)(CN)NC;ZEZVMWPIHHLKRC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313188;MM313188;CCCC(C)(CC)NC=O;OUTXNEIZEFMEBP-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313189;MM313189;CNC(C=CF)(CN)CF;VSESXCIZRVFUDF-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313190;MM313190;CCCc1cc(N)c(N)[nH]1;RMTWMCSIDQFOQY-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313191;MM313191;CC=CC(CO)(CO)NC;WOLYOYGTTIIIEC-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313192;MM313192;C#CC(C)CC(C)C(N)=O;LOFOYNZZVPSZGQ-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313193;MM313193;CC(C=NN)CCC(N)=O;MNDDANSMXZUOIQ-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313194;MM313194;CC=CC(CC)(CC)OC;GARKECFLUGRHQI-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313195;MM313195;CCCc1cc(C)c(O)[nH]1;DTUUASINGGZOGN-UHFFFAOYSA-N;139.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313196;MM313196;CCC(C=CF)(CO)OC;JRRATKVXSMMZQC-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313197;MM313197;CCCc1cc(N)c(O)[nH]1;XEOHBGVHNPHFBL-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313198;MM313198;COC(C=CF)(CO)CO;FJOYZJZVVBAVBE-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313199;MM313199;CCCc1cc(O)c(O)[nH]1;OLUIEZMQFQIOSV-UHFFFAOYSA-N;141.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313200;MM313200;COC(C=CF)(CN)OC;XJAZVCPZYJCECS-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313201;MM313201;CCCc1cc(C)c(F)[nH]1;ZLYUDVGOMUUCHQ-UHFFFAOYSA-N;141.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313202;MM313202;COC(C=CF)(CF)OC;UGVKFTLPAJZRIG-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313203;MM313203;CCCc1cc(N)c(F)[nH]1;UUPDJGOPFSIMNS-UHFFFAOYSA-N;142.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313204;MM313204;C=CC(C=CC)(CC)CC;NXAUCBGPATXZMQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313205;MM313205;CCCc1cc(O)c(F)[nH]1;XSWYWGFLOMUUIJ-UHFFFAOYSA-N;143.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313206;MM313206;CCC(C=O)(C=CF)CF;IFCFNRMVXSUANV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313207;MM313207;C=C(CO)CC(C)C=NN;DMNYAPZXEUHMSN-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313208;MM313208;C=CC(C=CF)(CN)CN;UVEBWEXSQIITGW-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313209;MM313209;C=CC(CCO)CC(N)=O;XTVPBCLGMMQDNV-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313210;MM313210;C=CC(C=CF)(CN)CF;DLJKWEXKZBBTQW-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313211;MM313211;C=CC(COC)CC(N)=O;PZRCDROYZVPXOP-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313212;MM313212;CC=CC(C=O)(CO)CO;JLTDSKPLUWTHIV-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313213;MM313213;C=NNCCCCC(N)=O;IAVOGCYWWIRIQO-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313214;MM313214;CC=CC(C#N)(CO)CO;YSDUQPBJGXGEQB-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313215;MM313215;CCCc1cc(C)c(C)o1;WUMNXEYBKMPWAH-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313216;MM313216;O=CC(C=CF)(CO)CO;QOCMLBYIWHWVJP-UHFFFAOYSA-N;148.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313217;MM313217;CCCc1cc(N)c(C)o1;SLXDATKVXDTMIZ-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313218;MM313218;N#CC(C=CF)(CO)CO;IPGGKRSMDSLPQC-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313219;MM313219;CCCc1cc(C)c(N)o1;KZXOHZHJMNKPFJ-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313220;MM313220;CCCc1cc(N)c(N)o1;KGXAHPVXWNCZQP-UHFFFAOYSA-N;140.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313221;MM313221;C=CC(C=NO)(CC)CN;YTQNTRDHSLOLNZ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313222;MM313222;CCCc1cc(N)c(O)o1;VPKLEQVVVNZUEL-UHFFFAOYSA-N;141.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313223;MM313223;CC(O)C=CC(C)C(C)F;OOYPILHSBOZBNS-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313224;MM313224;CCCc1cc(C)c(F)o1;XUWLWPDHGBLUSV-UHFFFAOYSA-N;142.17;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313225;MM313225;C=CC(C=NO)(CO)CO;XOEUXTYBRRMMLT-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313226;MM313226;CCCc1cc(N)c(F)o1;SSLZXZYBYKMYHX-UHFFFAOYSA-N;143.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313227;MM313227;C=CC(C=CC)(CN)NC;RARKCEAJSALHFX-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313228;MM313228;C=CCC1=CC(C)=C(C)C1;TWDDOCRAPFBBTN-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313229;MM313229;C=C(C=CC(C)C)C(N)=O;DMJIKOTVBRGSMU-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313230;MM313230;CC1=C(C)CC(CC=O)=C1;DNWCBXQZGVQEOW-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313231;MM313231;OC=C1C=NC=N1;XZEBLWUKBYHGCL-UHFFFAOYSA-N;96.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313232;MM313232;CC1=C(C)CC(CC#N)=C1;FNGBRJRBLVBTKP-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313233;MM313233;C=CC(C=CF)(CO)OC;KEKUWTIIIGVLKQ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313234;MM313234;C=CCC1=CC(F)=C(C)C1;NCKNITHGODHMJB-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313235;MM313235;CC=CC(C=O)(CO)OC;PQLAHJPYKLTKIQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313236;MM313236;CC1=C(F)C=C(CC#N)C1;ZDPYFBPGGAXJMH-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313237;MM313237;COC(C=O)(C=CF)CO;DCUYPFCJWRPSEO-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313238;MM313238;C=CCC1=CC(C)=C(F)C1;NPKUUZCPJHNMOM-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313239;MM313239;Nn1[nH]c(=NO)nnc1=O;HLGPFIGHGGSBER-UHFFFAOYSA-N;144.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313240;MM313240;CC1=C(F)CC(CC=O)=C1;MRHDRGMMPGEDDJ-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313241;MM313241;COC(C=O)(C=CF)OC;PLHXZHLZMRFSSL-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313242;MM313242;CC1=C(F)CC(CC#N)=C1;BVXRWROUMCQNBI-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313243;MM313243;C#CC(C=CF)(CC)CN;KOGQOUHHTJGWIM-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313244;MM313244;C=CCC1=CC(F)=C(F)C1;BSVXCJKTBODLMV-UHFFFAOYSA-N;142.15;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313245;MM313245;C#CC(C=CF)(CN)CF;LKEWROXVKGVWOU-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313246;MM313246;N#CCC1=CC(F)=C(F)C1;VVNWBISCCHEPQE-UHFFFAOYSA-N;141.12;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313247;MM313247;CC1=C(C)CC(NC=N)=C1;MQTFXTJLDIOQJN-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313248;MM313248;C#CC(C=NO)(CC)CC;LZMOEYPCCQBUPK-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313249;MM313249;CC1=C(F)C=C(NC=N)C1;WQINKERPCCBIDS-UHFFFAOYSA-N;140.16;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313250;MM313250;C#CC(C=CF)(CN)NC;RQMBBDYBVKAIFQ-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313251;MM313251;C=COC1=CC(C)=C(C)C1;ZKGSYSOVSXUBTM-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313252;MM313252;C#CC(C=CC)(OC)OC;QVZZNDJGVXVFJC-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313253;MM313253;C=COC1=CC(F)=C(C)C1;ZZWQIVBXZIIBHR-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313254;MM313254;C#CC(C=CF)(OC)OC;VUVIMBKWGSPDKL-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313255;MM313255;C=CCc1cc(C)c(C)[nH]1;LVBUCGGLCGOVIY-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313256;MM313256;C=CC(C=C)(C=CC)CN;SAJPIUFJNQTEHM-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313257;MM313257;Cc1cc(CC#N)[nH]c1C;PTXKRDGBBNKKED-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313258;MM313258;C=CC(C=O)(C=CC)CO;LAUJROUOBBUBPM-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313259;MM313259;NN=CCCCCC(N)=O;SDQFXNWMZIBCQA-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313260;MM313260;CC=CC(C#N)(C=O)CO;XOBMPUTZWIAMDD-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313261;MM313261;Cc1[nH]c(CC#N)cc1N;JQXYZHMVETVCCM-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313262;MM313262;CC(=CNC(C)C)C(N)=O;PCXFKWZQNHAVHR-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313263;MM313263;C=CCc1cc(F)c(C)[nH]1;DWEKWPPXDLGSGL-UHFFFAOYSA-N;139.17;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313264;MM313264;CN=c1[nH]c(=NO)nco1;QOQHDJCHPOOYAA-UHFFFAOYSA-N;142.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313265;MM313265;Cc1[nH]c(CC#N)cc1F;BVVNSCXPLVAAEY-UHFFFAOYSA-N;138.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313266;MM313266;NN=CC(NC=O)C(=O)O;DFYSAUDVQSXEIO-UHFFFAOYSA-N;145.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313267;MM313267;C=CCC(NC=O)C(C)C;IARZCUWARUNUNJ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313268;MM313268;CC=CC(C#N)(C#N)NC;SZIJFOWHFDRWQG-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313269;MM313269;CC=CC(=CNC)C(N)=O;AWDXSWGZXUHFIF-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313270;MM313270;CNC(C=O)(C=O)C=CF;GDTVFSHMDCWSPA-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313271;MM313271;C=CCc1cc(O)c(N)[nH]1;XZMRDCVVIBIJFK-UHFFFAOYSA-N;138.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313272;MM313272;CNC(C#N)(C=O)C=CF;YDMZVACFMJUEKR-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313273;MM313273;N#CCc1cc(O)c(N)[nH]1;XZYALOUPLNXHCZ-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313274;MM313274;C=NOCOCC(=O)O;VFGUTRVMBLJJOT-UHFFFAOYSA-N;133.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313275;MM313275;Cc1cc(=O)nc(N)n1C;MLQPQMDHOQANST-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313276;MM313276;CCC(C)NC(C#N)C=O;FGUZUUDDSAYRTF-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313277;MM313277;CNc1nc(=O)cn[nH]1;ZGGDNKAFGDTQKL-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313278;MM313278;C=CCc1cc(C)c(O)[nH]1;TZIGPXRHAGVZEF-UHFFFAOYSA-N;137.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313279;MM313279;COC(C#N)(C#N)C=CF;ZWNQFEBBZNSARX-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313280;MM313280;Cc1cc(CC#N)[nH]c1O;RCFUHZKLYGSNQQ-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313281;MM313281;CCn1[nH]c(=O)n(O)c1=O;PFWLKIWNWDLTDB-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313282;MM313282;C=CCc1cc(N)c(O)[nH]1;OCXVASJIKRMIBF-UHFFFAOYSA-N;138.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313283;MM313283;CN(C=O)C(=O)CC(=O)O;SFZPDSFFWAGNMP-UHFFFAOYSA-N;145.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313284;MM313284;N#CCc1cc(N)c(O)[nH]1;TZCWUQMSOQYSRV-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313285;MM313285;O=c1[nH]oc2cc(O)nn12;QURUKQIPSYDGFA-UHFFFAOYSA-N;141.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313286;MM313286;C=CCc1cc(O)c(O)[nH]1;YSGCLLJYKAREIL-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313287;MM313287;C#CC(C=C)(C=CC)CN;RSUNVWHXAIXIMM-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313288;MM313288;N#CCc1cc(O)c(O)[nH]1;NYKSDDHTIVINQV-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313289;MM313289;C#CC(C=C)(C=NN)CC;XWCDOZIDYUSUME-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313290;MM313290;N#CCc1cc(F)c(O)[nH]1;IZMAFKGQTZLSOK-UHFFFAOYSA-N;140.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313291;MM313291;C#CC(C=C)(C=NO)CC;CQAYFWKSTAFEDU-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313292;MM313292;C=CCc1cc(C)c(F)[nH]1;MXVNCVPCDOTHHT-UHFFFAOYSA-N;139.17;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313293;MM313293;Cc1cc(CC#N)[nH]c1F;NKKLMJBISLSCDX-UHFFFAOYSA-N;138.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313294;MM313294;C#CC(C=O)(C=CF)NC;AXAGXPTXIXFRIO-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313295;MM313295;C=CCc1cc(N)c(F)[nH]1;AHCWWYXQSPTTBB-UHFFFAOYSA-N;140.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313296;MM313296;C#CC(C=C)(C=CC)OC;YQVVVUFGVVZTNV-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313297;MM313297;N#CCc1cc(N)c(F)[nH]1;TXSBFRODLGMIOD-UHFFFAOYSA-N;139.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313298;MM313298;C#CC(C#C)(C=CF)CO;ROBPTJXKHGKWKK-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313299;MM313299;C=CCc1cc(F)c(F)[nH]1;VOHLOKDCGWFLIT-UHFFFAOYSA-N;143.14;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313300;MM313300;C#CC(C#C)(C=NN)NC;WKNCFHKDYCMDQP-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313301;MM313301;N#CCc1cc(F)c(F)[nH]1;KAYRRHYNVHZAGD-UHFFFAOYSA-N;142.11;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313302;MM313302;C=CC(C=C)(C=C)C=CF;GWDWISRGINUBNU-UHFFFAOYSA-N;138.19;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313303;MM313303;N=CNc1cc(F)c(N)[nH]1;BVMLDIUXTVGNCZ-UHFFFAOYSA-N;142.14;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313304;MM313304;C=CC(C=C(C)CO)CO;WRSYSOKRMZCEJJ-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313305;MM313305;C=CC(C=C)(C=O)C=CF;NOFNTTMHZNPLOJ-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313306;MM313306;C=CC1(C=C)CC1C(N)=O;FCJAFMYLIMNOBT-UHFFFAOYSA-N;137.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313307;MM313307;N#CC(C=O)(C=O)C=CF;AZVRPTZDVBVNSZ-UHFFFAOYSA-N;141.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313308;MM313308;NCC(=O)N(C=O)OC=O;MQPLUAMQJZNFEF-UHFFFAOYSA-N;146.1;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313309;MM313309;N#CC(C#N)(C#N)C=CF;KRHYSYDSVNCNNM-UHFFFAOYSA-N;135.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313310;MM313310;C=CCc1nc(O)c(C)[nH]1;MOXVRYMZTAWRNL-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313311;MM313311;C=CC(C=C)(C=C)C=NN;VMXCWEWWOMYPII-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313312;MM313312;Cc1[nH]c(CC#N)nc1O;BTRLDQOSZLHIQD-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313313;MM313313;C=CC(C=C)(C=C)C=NO;CCMOGWZWKQKYNE-UHFFFAOYSA-N;137.18;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313314;MM313314;Cc1[nH]c(CC#N)nc1F;ZYZPPLYVVOIKST-UHFFFAOYSA-N;139.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313315;MM313315;CC1OC1C(=O)O;SEDGGCMDYFKAQN-UHFFFAOYSA-N;102.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313316;MM313316;CCC=CC(=CN)C(N)=O;XVUMEMDTZZIHAM-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313317;MM313317;C#CC(C=C)(C=C)C=CC;MPQXGRPBANTACL-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313318;MM313318;N#CCc1nc(O)c(N)[nH]1;DAMXVRBFKREVOY-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313319;MM313319;CC(F)(F)COCC(=O)O;ZUKPVWVRNDNXOH-UHFFFAOYSA-N;154.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313320;MM313320;C=CCc1nc(F)c(N)[nH]1;MMAMSEXPEDEHRL-UHFFFAOYSA-N;141.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313321;MM313321;C#CC(C#C)(C#N)C=CC;ZCQYYGFYUHRQEO-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313322;MM313322;N#CCc1nc(F)c(N)[nH]1;FGHGMAFGLXCSBL-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313323;MM313323;C#CC(C#C)(C=C)C=NN;INOTZSMCNIGYGP-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313324;MM313324;N=CN=CN(O)CC(=O)O;KVLAGOGFQXZIMM-UHFFFAOYSA-N;145.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313325;MM313325;C=CCc1cc(C)c(C)o1;AJEPJONWRCDMIW-UHFFFAOYSA-N;136.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313326;MM313326;C#CC(C#C)(C#C)C=CC;IVVWHKHUVSECQT-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313327;MM313327;Cc1cc(CC#N)oc1C;FQQULFVJURALMY-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313328;MM313328;C#CC(C#C)(C#C)C=NN;UCKYVVOTGOPODP-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313329;MM313329;C=CCc1cc(N)c(C)o1;CXVVMPRYDKLWBX-UHFFFAOYSA-N;137.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313330;MM313330;C#CC(CF)C(O)C(=O)O;BDGPNGHIYFIHBP-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313331;MM313331;Cc1oc(CC#N)cc1N;LEXWMYOHXUQWFM-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313332;MM313332;CC#CC(CC)(CN)CN;KVGDISWMVUJEFF-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313333;MM313333;C=CCc1cc(F)c(C)o1;VSHMWTRPXPZXFM-UHFFFAOYSA-N;140.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313334;MM313334;CC#CC(CO)(CO)CO;RLOLSQNIIKUIOR-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313335;MM313335;Cc1oc(CC#N)cc1F;RNEFLDGZTQVKHS-UHFFFAOYSA-N;139.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313336;MM313336;CC#CC(CC)(CN)NC;MKDLMNBXDUHZSR-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313337;MM313337;C=CCc1cc(C)c(N)o1;PJEWGCAYQZDGAJ-UHFFFAOYSA-N;137.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313338;MM313338;C=CC(C#CC)(CN)CO;UQEYVUDCYJXWHP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313339;MM313339;Cc1cc(CC#N)oc1N;UCOVDPUHNHGOSA-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313340;MM313340;CC#CC(C=O)(CO)CO;JXXGZULCWPUTEG-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313341;MM313341;C=CCc1cc(N)c(N)o1;GRLGKPGVRKDGHV-UHFFFAOYSA-N;138.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313342;MM313342;C=CC(C#CC)(CC)NC;JOSKBVVNEUBJHE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313343;MM313343;N#CCc1cc(N)c(N)o1;AZFOHZKYUGHOOA-UHFFFAOYSA-N;137.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313344;MM313344;N#CCc1cc(F)c(N)o1;YIZZIGINRWAWRI-UHFFFAOYSA-N;140.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313345;MM313345;CC#CC(C#N)(OC)OC;DSTRBMKEXXYHAR-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313346;MM313346;C=CCc1cc(N)c(O)o1;MALMGPRCOBRTJM-UHFFFAOYSA-N;139.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313347;MM313347;C#CC(C#CC)(CN)NC;QBHCKOQTWFYQGZ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313348;MM313348;N#CCc1cc(N)c(O)o1;HDUQNBVQKDRYNF-UHFFFAOYSA-N;138.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313349;MM313349;C#CC(C#CC)(OC)OC;GFXDRXFRHCVDTD-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313350;MM313350;C=CCc1cc(C)c(F)o1;XKYFRORNFKQIEK-UHFFFAOYSA-N;140.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313351;MM313351;CC#CC(C=O)(C=O)CO;MIHJKDOHJXTOBX-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313352;MM313352;Cc1cc(CC#N)oc1F;ADJXKDJDVGXVKL-UHFFFAOYSA-N;139.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313353;MM313353;CC#CC(C=O)(C=O)OC;OEHIWZIXKYJUQK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313354;MM313354;C=CCc1cc(N)c(F)o1;AGHJFURHUOETDR-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313355;MM313355;C#CC(C#N)(C#CC)CO;CNLXQIRSHCIPNX-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313356;MM313356;N#CCc1cc(N)c(F)o1;FGJQKSBLAFPMOO-UHFFFAOYSA-N;140.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313357;MM313357;C#CC(C#N)(C#CC)OC;UDIYCMFRTVBGPJ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313358;MM313358;N=C(N)C(=O)CCC(=O)O;JRRVNNIBSMSHRP-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313359;MM313359;C#CC(C#C)(C#CC)CO;XLVUMISIDZIXCO-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313360;MM313360;CN(N)C(CC(=O)O)=NO;QWLOEVWKYIPBTC-UHFFFAOYSA-N;147.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313361;MM313361;C#CC(C#C)(C#CC)OC;DSTAGRJBANXEKQ-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313362;MM313362;N#CCc1cc(F)c(F)o1;ABPVOWKWHWHONY-UHFFFAOYSA-N;143.09;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313363;MM313363;C=CC(C#N)(C#N)C#CC;YMUJKVADGMAOQY-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313364;MM313364;C=CCc1nc(C)c(C)o1;VCSUKPOVAFWBSM-UHFFFAOYSA-N;137.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313365;MM313365;Cc1nc(CC#N)oc1C;LHQFIYXZSHKWHZ-UHFFFAOYSA-N;136.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313366;MM313366;CC#CC(C=O)(C=O)C=O;ALQKRZVDCAWAID-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313367;MM313367;C=CC(=CNCC)C(N)=O;TXEVZFNDDUSXIS-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313368;MM313368;CC#CC(C#N)(C#N)C=O;BAEWPYHEVBOQJI-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313369;MM313369;Cc1oc(CC#N)nc1N;WAOJMJAHYSSMTC-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313370;MM313370;CC#CC(C#N)(C#N)C#N;MCDMDNUSVXFZNK-UHFFFAOYSA-N;129.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313371;MM313371;C=CCc1nc(O)c(C)o1;VPHYQPATHWBDCJ-UHFFFAOYSA-N;139.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313372;MM313372;C#CC(C#C)(C#CC)C=C;ARQDTWIBCUXIMT-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313373;MM313373;Cc1oc(CC#N)nc1O;MHXSRWXZHHSJLV-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313374;MM313374;C#CC(C#C)(C#C)C#CC;ZPRRRMKFYRPTNI-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313375;MM313375;Cc1oc(CC#N)nc1F;QDOYXZDKSHERHI-UHFFFAOYSA-N;140.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313376;MM313376;CC1CC1(C)C(C)C(N)=O;RENXSCHFCXXWRW-UHFFFAOYSA-N;141.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313377;MM313377;C#CCC1ONC(=NC)O1;JQTOAUVTMCQIHW-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313378;MM313378;CCC(CN)(CN)C(C)C;PKIFZNGWPGPRIZ-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313379;MM313379;Cc1nc(CC#N)oc1N;DWNQPJGUJKEDFX-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313380;MM313380;CCC(CN)(CF)C(C)C;SYNCLPNOQBOASN-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Na";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313381;MM313381;N#CCc1nc(N)c(N)o1;PMDJWOKUCHXNOR-UHFFFAOYSA-N;138.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313382;MM313382;CC(C)C(CN)(CN)CN;FJWVDCPMXDQUSA-UHFFFAOYSA-N;145.25;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313383;MM313383;N#CCc1nc(O)c(N)o1;JDHPXOBXIUAENN-UHFFFAOYSA-N;139.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313384;MM313384;CC(C)C(CN)(CN)CF;XACLSFAOQSSPCJ-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313385;MM313385;O=C(O)CCC(=O)C(F)F;NQESFGPDLQAOLQ-UHFFFAOYSA-N;152.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313386;MM313386;NN=c1[nH]c(=O)nno1;DULUMRDXMXRWLI-UHFFFAOYSA-N;129.08;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313387;MM313387;CC(C)C(CN)(CF)CF;VNGYKIDDRSKVLC-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313388;MM313388;O=CON=c1[nH]c(=O)[nH]o1;XVLQAIPXVNQYSN-UHFFFAOYSA-N;145.07;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313389;MM313389;CC(C)C(CF)(CF)CF;VFJPGQKMNIDFDD-UHFFFAOYSA-N;154.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313390;MM313390;C=CCc1nc(C)c(F)o1;CVXRYHGYIAFODO-UHFFFAOYSA-N;141.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313391;MM313391;CCC(CO)(CF)C(C)N;SIEQQMPZLPVGOV-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313392;MM313392;Cc1nc(CC#N)oc1F;NRRCSQXTJNMBKS-UHFFFAOYSA-N;140.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313393;MM313393;CC(N)C(CO)(CO)CO;ONLXIUKOHIBKFP-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313394;MM313394;C=CCc1nc(N)c(F)o1;CHNASKWGSNHURV-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313395;MM313395;CCC(CN)(CF)C(C)O;VKJLTNVPPXIEJS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313396;MM313396;N#CCc1nc(N)c(F)o1;CHZZRVBYLOBNIB-UHFFFAOYSA-N;141.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313397;MM313397;CC(O)C(CN)(CO)CO;AYYHCZPHUOSEGA-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313398;MM313398;C#CCC1=CC(C)=C(C)C1;DTUOPMNYHZSZRK-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313399;MM313399;CC(O)C(CO)(CO)CO;PUWSPTQNHGUGDZ-UHFFFAOYSA-N;150.17;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313400;MM313400;C#CCC1=CC(F)=C(C)C1;GLLLUDSUGHKNOX-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313401;MM313401;CCC(CC)(CN)C(C)F;SEHNDQZHTYWHMQ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313402;MM313402;C#CCC1=CC(C)=C(F)C1;KJNNWXQYQKCPHZ-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313403;MM313403;CCC(CN)(CF)C(C)F;GZTSUVHOBNIGSH-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313404;MM313404;C#CCC1=CC(F)=C(F)C1;UPXGFMXENQVAJK-UHFFFAOYSA-N;140.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313405;MM313405;CC(F)C(CN)(CN)CF;KLPUAGKWZDLGAH-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313406;MM313406;C#CCc1cc(C)c(C)[nH]1;RUDSNVTXDCCGTK-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313407;MM313407;CC(F)C(CN)(CF)CF;NVNXBUARIMLYFH-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313408;MM313408;C=Cc1noc(C#N)c1N;YJFBDBTWFWWAFK-UHFFFAOYSA-N;135.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313409;MM313409;CCC(CN)(CN)C(F)F;WPXUFOFXZWAWQD-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313410;MM313410;C#CCc1cc(F)c(C)[nH]1;UZLDOBLQOWVBHF-UHFFFAOYSA-N;137.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313411;MM313411;NCC(CO)(CO)C(F)F;NXXYBCWEHXUOSQ-UHFFFAOYSA-N;155.14;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313412;MM313412;NC(=O)C=CC1CC1;QJIIUFLKOQYKMD-UHFFFAOYSA-N;111.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313413;MM313413;OCC(CO)(CO)C(F)F;KXPPXTRMCGPCCP-UHFFFAOYSA-N;156.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313414;MM313414;C#CCc1cc(O)c(N)[nH]1;RTVIBONCVOEUOF-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313415;MM313415;CCC(CC)(NC)C(C)C;YULPEFVSJMWKTH-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313416;MM313416;O=CCC1=NOCC1;CTKIMLVBXQQECO-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313417;MM313417;CCC(CN)(NC)C(C)C;OXTRTAKLVUPZOM-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313418;MM313418;C#CCc1cc(C)c(O)[nH]1;ANDXCXHMUDENMM-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313419;MM313419;CCC(CF)(NC)C(C)C;OJWODPCYMBLWKS-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313420;MM313420;C#CCc1cc(N)c(O)[nH]1;OKBRCALGQSAXCB-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313421;MM313421;CNC(CN)(CN)C(C)C;KXCOIYJYBSLHJG-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313422;MM313422;C#CCc1cc(O)c(O)[nH]1;VWRUBTCOINRUOF-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313423;MM313423;CNC(CO)(CO)C(C)N;ARCIJUMUWDKBDL-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313424;MM313424;C#CCc1cc(F)c(O)[nH]1;MSDABVLYXNPKQG-UHFFFAOYSA-N;139.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313425;MM313425;CNC(CF)(CF)C(C)N;PCIGORQTTLTKSX-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313426;MM313426;C#CCc1cc(C)c(F)[nH]1;KADHRDKLOGHYTP-UHFFFAOYSA-N;137.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313427;MM313427;CNC(CO)(CO)C(C)O;DOBSXTCGYIVZKS-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313428;MM313428;C#CCc1cc(N)c(F)[nH]1;ZWGCGGLGFKVRPP-UHFFFAOYSA-N;138.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313429;MM313429;CNC(CN)(CF)C(C)F;JNQGMSJRQNUDKD-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313430;MM313430;C#CCc1cc(F)c(F)[nH]1;LADXOWMLSFISLU-UHFFFAOYSA-N;141.12;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313431;MM313431;CCCC(O)CCCCO;ZKRNQSNKDPEUOH-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313432;MM313432;C#CCc1nc(O)c(C)[nH]1;IBFQGIOOYXEHMN-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313433;MM313433;CCCC(F)CCCCO;NEKTUYAROJHARW-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313434;MM313434;C#CCc1nc(F)c(C)[nH]1;IMJBAQRKENLBSH-UHFFFAOYSA-N;138.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313435;MM313435;CCC(CC)(OC)C(C)C;LCIWLDABLLYDFK-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313436;MM313436;CC(CCO)CC(N)=O;AFYLYNGBRCFXMW-UHFFFAOYSA-N;131.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313437;MM313437;COC(CO)(CO)C(C)N;KAAARUQKOKDUMU-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313438;MM313438;C#CCc1nc(F)c(N)[nH]1;OKZWDSNWBBJGRQ-UHFFFAOYSA-N;139.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313439;MM313439;COC(CO)(CO)C(C)O;FKOIMGHFCYIKOW-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313440;MM313440;O=c1[nH][nH]c(=O)c(O)c1O;RUYJROCRMWBWMU-UHFFFAOYSA-N;144.09;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313441;MM313441;COC(CO)(CO)C(C)F;IWXAYHRXHRMFPG-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313442;MM313442;C#CCc1cc(C)c(C)o1;INOVCASEJWVDNN-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313443;MM313443;COC(CO)(CO)C(F)F;RGVBCLDCOBWCGL-UHFFFAOYSA-N;156.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313444;MM313444;C#CCc1cc(N)c(C)o1;KFTWWCXCTIOCRE-UHFFFAOYSA-N;135.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313445;MM313445;COC(CO)(OC)C(C)N;AIHUECSMTDPHKM-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313446;MM313446;C#CCc1cc(F)c(C)o1;OJJWNZHQJBVYMH-UHFFFAOYSA-N;138.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313447;MM313447;CN(C)C(CN)(CO)CO;QAONPWZZENLGKD-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313448;MM313448;C#CCc1cc(C)c(N)o1;LDDOALGNGKAWGU-UHFFFAOYSA-N;135.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313449;MM313449;CCC(C=O)(CO)C(C)C;BHOXSQBCUQGTBB-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313450;MM313450;C#CCc1cc(N)c(N)o1;SVLSRCQVLAHRKZ-UHFFFAOYSA-N;136.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313451;MM313451;C=CC(CN)(CN)C(C)C;YQMKCWKGQQOTES-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313452;MM313452;C#CCc1cc(F)c(N)o1;YLIICERMMVOVSF-UHFFFAOYSA-N;139.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313453;MM313453;C=CC(CN)(CF)C(C)C;TWGNALBGBCJLAS-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313454;MM313454;C#CCc1cc(N)c(O)o1;NTMQKNIRALANJF-UHFFFAOYSA-N;137.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313455;MM313455;C=CC(CC)(CN)C(C)N;AECMDHZPZMERPR-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313456;MM313456;O=c1c(O)c[nH]n1O;GLYBXWUUYSPOAL-UHFFFAOYSA-N;116.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313457;MM313457;C=CC(CC)(CF)C(C)N;WBGCERFFGRQWBN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313458;MM313458;C#CCc1cc(C)c(F)o1;LDYGMTWETCWUTK-UHFFFAOYSA-N;138.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313459;MM313459;C=CC(CN)(CF)C(C)N;FGFDCJDZZNYACY-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313460;MM313460;C#CCc1cc(N)c(F)o1;BKOAVSUHIZPGHX-UHFFFAOYSA-N;139.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313461;MM313461;C=CC(CF)(CF)C(C)N;HBBLNHIGXUBIAI-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313462;MM313462;NC(=O)CC#CCC(=O)O;HSEAYGBFVYSJBL-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313463;MM313463;C=CC(CO)(CO)C(C)O;UHMHXFRVRSNZSS-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313464;MM313464;C#CCc1cc(F)c(F)o1;RYYIZBLCYBZNTK-UHFFFAOYSA-N;142.1;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313465;MM313465;CC(O)C(C=O)(CO)CO;BFLQFEWZGKLNGX-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313466;MM313466;C#CCc1nc(C)c(C)o1;HDILCFICNWJMPV-UHFFFAOYSA-N;135.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313467;MM313467;C=CC(CN)(CN)C(C)F;LBZRLZWGMMEZCG-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313468;MM313468;COCC(C)CC(N)=O;HQMDVQZBNKYNBL-UHFFFAOYSA-N;131.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313469;MM313469;C=CC(CN)(CF)C(C)F;BGGDWCYCPFJIHO-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313470;MM313470;C#CCc1nc(O)c(C)o1;OJMDKBKKGOVQHL-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313471;MM313471;CC(F)C(C=O)(CO)CO;IJRUJPZZOHQVMC-UHFFFAOYSA-N;150.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313472;MM313472;C#CCc1nc(F)c(C)o1;MHKFBYOXYSRTAZ-UHFFFAOYSA-N;139.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313473;MM313473;CC(F)C(C#N)(CO)CO;DAXPRQMMVXZNFG-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313474;MM313474;CCC(C)CC(=O)NC;NYWAMMVZRDBXHY-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313475;MM313475;C=CC(CN)(CO)C(F)F;WJFVZABFDNBZSB-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313476;MM313476;CNC(=O)CCC(C)C;SXFWBOTXORQGJN-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313477;MM313477;O=CC(CO)(CO)C(F)F;MIZPCOIUXSDBPA-UHFFFAOYSA-N;154.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313478;MM313478;C#CCc1nc(O)c(N)o1;IJSLWNYRYBQMAZ-UHFFFAOYSA-N;138.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313479;MM313479;C=CC(CN)(NC)C(C)C;JJKJXJVKYRNCDD-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313480;MM313480;C#CCc1nc(F)c(N)o1;FEFWQKMQBSUFII-UHFFFAOYSA-N;140.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313481;MM313481;OCCCCC(F)CCF;SXFSJOQEBNMJAM-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313482;MM313482;CC=C(OC)C(O)C(=O)O;UYNRNTXVPWMTHY-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313483;MM313483;CNC(C#N)(CF)C(C)C;SILNSUORFZVQNO-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313484;MM313484;C=C(OCC)C(O)C(=O)O;LLNQWDFTHHWXKP-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313485;MM313485;C=CCC(C)CCCCO;NQPNSGBKVGQRSF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313486;MM313486;CCC1OC1C(=O)O;JEFQGTDZXWGWMD-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313487;MM313487;CC(CC=O)CCCCO;HBZVMWAAZCMEMT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313488;MM313488;C#CCc1nc(C)c(F)o1;QMUKZJCHBKOOHY-UHFFFAOYSA-N;139.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313489;MM313489;COC(C#N)(CO)C(C)O;PMTPUUODEFKEJK-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313490;MM313490;C=CC(CO)(OC)C(C)F;CKYXXHWRJLFDMS-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313491;MM313491;C#CCc1nc(N)c(F)o1;YJLHPZLERZXXTN-UHFFFAOYSA-N;140.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313492;MM313492;COC(C#N)(CF)C(F)F;IZVCXSHAPFCGFG-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313493;MM313493;CC=CC1=CC(C)=C(C)C1;WQUZZXTWMKRHJG-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313494;MM313494;COC(C=O)(OC)C(C)F;RJRZIBRJALRHNJ-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313495;MM313495;CC=CC1=CC(F)=C(C)C1;ZRTLYSQLFHFBGA-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313496;MM313496;COC(C#N)(OC)C(F)F;HPTKYSBXYWPYMZ-UHFFFAOYSA-N;151.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313497;MM313497;CC=CC1=CC(C)=C(F)C1;JGFJBPIKOSUOII-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313498;MM313498;C=CC(CC)(CN)N(C)C;SGXGCWZPHYVUOF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313499;MM313499;C=CC(=C)C(=C)C(N)=O;GGHVPDAHYWTSTC-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313500;MM313500;C=CC(CN)(CF)N(C)C;SXAJDVRAHKIGPV-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313501;MM313501;CCCCCC(=O)NC;RSPBQSYWXAROOO-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313502;MM313502;C=NNC(C)CCCCO;DLAYRRLWGLDUGY-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313503;MM313503;NN=CC1=CC(F)=C(F)C1;WDVCGRXLHAPMPZ-UHFFFAOYSA-N;144.12;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313504;MM313504;C#CC(CC)(CN)C(C)N;GWAOZAKYHGSOMK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313505;MM313505;CC=Cc1cc(C)c(C)[nH]1;DPTIPZBHLILDFX-UHFFFAOYSA-N;135.21;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313506;MM313506;C#CC(CO)(CF)C(C)N;ZQVYHRZHFXUUKS-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313507;MM313507;CN1C(C=O)C1(C)C#N;GZVZAJLSHVHTRL-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313508;MM313508;C#CC(CC)(CN)C(C)O;SHUJLRSSAOCYTM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313509;MM313509;C=COc1cc(N)no1;IEYVVHOALQJCBI-UHFFFAOYSA-N;126.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313510;MM313510;C#CC(CC)(CO)C(C)O;QARIHAPYWCIWCH-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313511;MM313511;CC=Cc1cc(C)c(O)[nH]1;MNFWSAKIORHPLP-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313512;MM313512;C#CC(CO)(CF)C(C)O;BUFZLCGCAOYJEI-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313513;MM313513;CC=Cc1cc(N)c(O)[nH]1;ZTNCUEHFVBUXJD-UHFFFAOYSA-N;138.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313514;MM313514;C#CC(CN)(CN)C(F)F;OVOWUIRXEDZZIN-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313515;MM313515;CC=Cc1cc(N)c(F)[nH]1;VZRIXJOWZIABFK-UHFFFAOYSA-N;140.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313516;MM313516;C#CC(CN)(NC)C(C)C;CRATWZNQHPHBMY-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313517;MM313517;CC=Cc1cc(C)c(C)o1;AKLYZVUUXRSNDR-UHFFFAOYSA-N;136.19;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313518;MM313518;C#CC(CC)(NC)C(C)N;UZBFYWPNWMTSPK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313519;MM313519;CC=Cc1cc(C)c(N)o1;ODJQRSIUAMUVSA-UHFFFAOYSA-N;137.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313520;MM313520;C#CC(CC)(NC)C(C)O;CXFASFHTWUPRDK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313521;MM313521;CC=Cc1cc(C)c(F)o1;AVHSCKUBUAAAPI-UHFFFAOYSA-N;140.16;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313522;MM313522;C#CC(CO)(OC)C(C)O;LTKCQTJNAWABDF-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313523;MM313523;CC#CC1=CC(C)=C(C)C1;CEMCAOWWNICKQY-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313524;MM313524;C#CC(CO)(OC)C(C)F;JDAHRPVKJVMJRJ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313525;MM313525;CC#CC1=CC(F)=C(C)C1;FRIKGOSHHWQICU-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313526;MM313526;C#CC(OC)(OC)C(C)F;FAHGGAUIYFBNKP-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313527;MM313527;CC#CC1=CC(C)=C(F)C1;MWOPYWYNKFYLFL-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313528;MM313528;C#CC(OC)(OC)C(F)F;BMHAXQXVYJWYSA-UHFFFAOYSA-N;150.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313529;MM313529;CC#CC1=CC(F)=C(F)C1;NJOSAHXYPQFYIE-UHFFFAOYSA-N;140.13;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313530;MM313530;C#CC(CC)(CC)N(C)C;ORFBSODJZCDXMB-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313531;MM313531;CC#Cc1cc(C)c(C)[nH]1;NWOVTLJVOMLGGQ-UHFFFAOYSA-N;133.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313532;MM313532;C#CC(CC)(CO)N(C)C;GPZMXWNMTJFJPY-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313533;MM313533;C=CC1(C=O)NCC1=O;PACIAZKKULRZEI-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313534;MM313534;C=CC(C=C)(CN)C(C)C;YPHDKIPZRBQUSQ-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313535;MM313535;CC#Cc1cc(F)c(C)[nH]1;MMILLHVKRNXMTK-UHFFFAOYSA-N;137.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313536;MM313536;C=CC(C=C)(CC)C(C)N;CODUGCPJXHXJIH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313537;MM313537;CN=C1CN=C(C=O)N1;GAOIIIPEVIJIRR-UHFFFAOYSA-N;125.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313538;MM313538;CCC(C#N)(C#N)C(C)O;RSAOHUCSJMJRID-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313539;MM313539;CC#Cc1cc(O)c(N)[nH]1;DHDPLNRXIKQJAK-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313540;MM313540;C=CC(C=C)(CN)C(C)O;PKGQTEHWPOTMPR-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313541;MM313541;CC1C(CC=O)N1C=O;RBQHJIHHSZNFKN-UHFFFAOYSA-N;127.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313542;MM313542;CC(O)C(C=O)(C=O)CO;JGIMEKXDPMNLSC-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313543;MM313543;CC#Cc1cc(C)c(O)[nH]1;VVIQJSTZGUNNSL-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313544;MM313544;CC(O)C(C#N)(C#N)CO;AIZPFZUDRZQZEI-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313545;MM313545;CC#Cc1cc(N)c(O)[nH]1;WKJNMKOTNFEHDA-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313546;MM313546;CC(O)C(C#N)(C=O)CF;HUSBSHWMEPYQRI-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313547;MM313547;CC#Cc1cc(O)c(O)[nH]1;VDTURZPPLPBXRM-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313548;MM313548;C=CC(C=O)(CC)C(C)F;SGIPPSUJEQLTCJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313549;MM313549;CC#Cc1cc(F)c(O)[nH]1;YBVLFFYVNPJPRU-UHFFFAOYSA-N;139.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313550;MM313550;C=CC(C=C)(CN)C(C)F;RJEDRTWYEKRSPL-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313551;MM313551;CC#Cc1cc(C)c(F)[nH]1;HASTZJMVFBQWKS-UHFFFAOYSA-N;137.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313552;MM313552;C=CC(C=C)(CN)C(F)F;SSQANTVKBUIFFX-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313553;MM313553;CC#Cc1cc(N)c(F)[nH]1;GJYVZMMTPSMNBE-UHFFFAOYSA-N;138.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313554;MM313554;O=CC(C=O)(CO)C(F)F;QMLYSCKHTZBUTA-UHFFFAOYSA-N;152.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313555;MM313555;CC#Cc1cc(F)c(F)[nH]1;BUHKLKBBMSMCIC-UHFFFAOYSA-N;141.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313556;MM313556;N#CC(C#N)(CF)C(F)F;AZXCKQITZPQBFM-UHFFFAOYSA-N;148.09;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313557;MM313557;CC(C)CC(C)(C)NC=O;IDGHJDLFBDJFJW-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313558;MM313558;C=CC(C#N)(NC)C(C)C;YLVRASJXZSVFFX-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313559;MM313559;CC#Cc1nc(O)c(C)[nH]1;NABVASQMMZKUGS-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313560;MM313560;C=CC(C=C)(NC)C(C)N;YGTNNUQXMSQJNZ-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313561;MM313561;CC#Cc1nc(C)c(F)[nH]1;FZBFXKOCKHZNMW-UHFFFAOYSA-N;138.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313562;MM313562;CNC(C#N)(C#N)C(C)O;KFIMQFVFPNTEME-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313563;MM313563;CC#Cc1nc(N)c(O)[nH]1;GTAOXNDHHDUHAZ-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313564;MM313564;CNC(C=O)(C=O)C(C)F;GODVXHSTWYKPRK-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313565;MM313565;CC#Cc1nc(F)c(N)[nH]1;PRAOIURHJFSMNR-UHFFFAOYSA-N;139.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313566;MM313566;CNC(C#N)(C#N)C(F)F;BRLRMUUPTQEUER-UHFFFAOYSA-N;145.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313567;MM313567;CC#Cc1cc(C)c(C)o1;CEUWFKNPJWGHMG-UHFFFAOYSA-N;134.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313568;MM313568;C=CC(C=O)(OC)C(C)O;DLZWAVCIEWKOQN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313569;MM313569;CC#Cc1cc(N)c(C)o1;JVTFATVWGZRXIC-UHFFFAOYSA-N;135.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313570;MM313570;C=CC(C#N)(OC)C(C)O;XNJUKERLLQVNCV-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313571;MM313571;CC#Cc1cc(F)c(C)o1;NMAZOMQPLWKVNA-UHFFFAOYSA-N;138.14;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313572;MM313572;COC(C#N)(C=O)C(C)F;RKZVPUNIKIUPNL-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313573;MM313573;CC#Cc1cc(C)c(N)o1;VZFHYXBSRCUMSH-UHFFFAOYSA-N;135.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313574;MM313574;COC(C#N)(C#N)C(C)F;PLLIIRBOIXXRHE-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313575;MM313575;CC#Cc1cc(N)c(N)o1;OJZDSANQCZPLDM-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313576;MM313576;CCC(C#N)(C#N)N(C)C;YVHSHCBZNDLVSJ-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313577;MM313577;CC#Cc1cc(N)c(O)o1;HYXMJWQBBSILLP-UHFFFAOYSA-N;137.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313578;MM313578;C=COC(C)CCCCO;XYXXQSZQPRLPFH-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313579;MM313579;CC#Cc1cc(C)c(F)o1;CZMSCGYFJHMPGE-UHFFFAOYSA-N;138.14;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313580;MM313580;CN(C)C(C=O)(C=O)CF;HBICZXXFVMNJRE-UHFFFAOYSA-N;147.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313581;MM313581;CC#Cc1cc(N)c(F)o1;VJXYEYKQAHLKFO-UHFFFAOYSA-N;139.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313582;MM313582;CN(C)C(C#N)(C#N)CF;LQZRSTJVGPTSLE-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313583;MM313583;C#CC(C=C)C(O)C(=O)O;UAFRMCYNWSKPSL-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313584;MM313584;C#CC(C=C)(CN)C(C)C;JZAVDJSOBMOZHM-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313585;MM313585;CC#Cc1nc(C)c(C)o1;YMQZDSQXDSRQDB-UHFFFAOYSA-N;135.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313586;MM313586;C#CC(C=C)(CN)C(C)N;ZBHKRPQPRPMWKB-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313587;MM313587;CC(=CC(N)=O)CC(C)O;PAYFTCBDKLZXGR-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313588;MM313588;C#CC(C#N)(CO)C(C)O;FXVVFCONMJGNFR-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313589;MM313589;CC#Cc1nc(O)c(C)o1;SQSLXRPEONVAMD-UHFFFAOYSA-N;137.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313590;MM313590;C#CC(C=O)(CO)C(F)F;GRYVWMIYMRRTLS-UHFFFAOYSA-N;148.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313591;MM313591;CC#Cc1nc(F)c(C)o1;ZYHZVRVMTRXXJC-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313592;MM313592;C#CC(C=C)(NC)C(C)C;UADLZJUQVOVDLJ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313593;MM313593;COC(C)(C)C=CC(N)=O;GGBSEOZEOWCLGQ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313594;MM313594;C#CC(C=C)(OC)C(C)N;FJSPXCMNXHOLMC-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313595;MM313595;CCCCC(C)(C)NC=O;SQNFLOHKJCKMNY-UHFFFAOYSA-N;143.23;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313596;MM313596;C#CC(C=O)(OC)C(C)O;HLUDPWKGCMDMKX-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313597;MM313597;Oc1cnc(F)o1;MUTMZZOXLXWVCB-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313598;MM313598;C#CC(C#N)(OC)C(F)F;AURVHPZEWGXISL-UHFFFAOYSA-N;145.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313599;MM313599;CC#Cc1nc(C)c(F)o1;SIAPZUDUHPBRQC-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313600;MM313600;C#CC(C#C)(CO)C(C)O;XLCXENCNUCZGAR-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313601;MM313601;CC#Cc1nc(N)c(F)o1;HNGLDVURBBLEFO-UHFFFAOYSA-N;140.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313602;MM313602;C#CC(C#C)(CO)C(C)F;OCSPKTICCMIXTM-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313603;MM313603;CC1CC(N)CC(C)C1C;DIIKAFLFAPCSPD-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313604;MM313604;C#CC(C#C)(CO)C(F)F;QHBVAGIXHXHUTK-UHFFFAOYSA-N;144.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313605;MM313605;CC1CC(N)CC(C)C1N;VJADYMUFHYQOTB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313606;MM313606;C#CC(C#C)(OC)C(F)F;LHQNOJKMRXHAMS-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313607;MM313607;CC1CC(N)CC(C)C1O;MCEMANZFROOQIZ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313608;MM313608;C=CC(C=C)(C=O)C(C)C;YQVIRWDNHNEFBM-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313609;MM313609;CC1CC(N)CC(C)C1F;HCQXHDYRBGKDCY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313610;MM313610;C=CC(C=O)(C=O)C(C)C;KKHVRSLUHJOZQF-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313611;MM313611;CC1CC(N)CC(N)C1F;JJSZQRGOKAFJQA-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313612;MM313612;C=CC(C#N)(C=O)C(C)C;DSKHDSPDZFCBPB-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313613;MM313613;C=C1CC(N)C(N)C(N)C1;GIFAIHZSWBOZMU-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313614;MM313614;C=CC(C#N)(C#N)C(C)O;XUKKLMRXJUBHMR-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313615;MM313615;C=C1OC(C)CC(O)C1C;UXUKPRZAIMMTDC-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313616;MM313616;CC(F)C(C#N)(C#N)C=O;XAAVDCNRGQDVGR-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313617;MM313617;C=C1CN(C)CC(C)C1F;FFACUROCEUUIBZ-UHFFFAOYSA-N;143.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313618;MM313618;CC(F)C(C#N)(C#N)C#N;QKXOBZMBNHTQIS-UHFFFAOYSA-N;137.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313619;MM313619;CC1CN(C)CC(=N)N1N;FRHVRHPTFWLUFU-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313620;MM313620;C=CC(C#N)(C#N)C(F)F;NRDZXDAGAMIGCC-UHFFFAOYSA-N;142.11;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313621;MM313621;C=C1CC(=N)N(C)C(C)C1;WKKWXHKDFSGKOL-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313622;MM313622;O=CC(C=O)(C=O)C(F)F;YLEHYEQJXPZVEL-UHFFFAOYSA-N;150.08;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313623;MM313623;C=C(C)OCCCC(N)=O;RHKJETSFTGHLHR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313624;MM313624;C=CC(C=O)(C=O)N(C)C;GZYUZLJBGMUNDU-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313625;MM313625;C=C1CN(C)CC(=C)C1N;AOOMUUVGYIILQC-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313626;MM313626;C=CC(C#N)(C#N)N(C)C;WUNFTDMTDPHFBO-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313627;MM313627;CC1CC(=N)N(C)C(=N)N1;QZXMJNMICZNAMH-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313628;MM313628;C#CC(C#N)(C=C)N(C)C;OLLRGFSNMJAUGR-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313629;MM313629;CN1CC(=N)N(C)C(=N)N1;HUIWGIIRHLOVCL-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313630;MM313630;C#CC(C#C)(C#N)N(C)C;FAMZQPQUSCVXSG-UHFFFAOYSA-N;132.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313631;MM313631;C=C1CC(=O)CC(=C)C1C;GMDNGEXBDJFYIO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313632;MM313632;C#CC(C#C)(C#C)C(C)N;CZAFZQDFFSELBU-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313633;MM313633;C=C1CC(=C)C(N)C(=N)N1;SQFZUWOJIDCVBF-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313634;MM313634;C#CCC(C)CCCCO;WFQZAQMKFIQVHT-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313635;MM313635;C=C1CC(=N)NC(=C)C1O;HNBAKOYFTSNMFB-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313636;MM313636;C=C(C)C(CC)(CC)CC;SQKJRIYSYOWXIC-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313637;MM313637;C=C1NC(=O)NC(=C)C1C;VYQLSUGTCWGOBE-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313638;MM313638;C=C(C)C(CN)(CN)CF;OLSLOYRGKFKHSD-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313639;MM313639;C=C1CC(=N)N(C)C(=N)C1;ALZPPYPUVRLXNQ-UHFFFAOYSA-N;137.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313640;MM313640;C=C(C)C(CN)(CO)CF;NKHQVRKKHTZCSS-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313641;MM313641;CC(=O)C(CO)(CO)CO;YXCDZXGJZDGMEP-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313642;MM313642;CN1C(=N)CC(=O)CC1=N;WSNBNEIOOGFKCE-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313643;MM313643;CCC(CO)(CO)C(=N)N;LOFLCOHWKXDOQA-UHFFFAOYSA-N;146.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313644;MM313644;C=C1CC(=O)N(C)C(=O)C1;DQZFEEIBCSRNBU-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313645;MM313645;CCC(CF)(CF)C(=N)N;ZTDIZKAHBXYWEH-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313646;MM313646;C=C1NC(=N)CC(=N)N1C;QTQQMKILRXINEM-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313647;MM313647;N=C(N)C(CN)(CO)CO;CTECEIJSFCBXPY-UHFFFAOYSA-N;147.18;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313648;MM313648;C=C1NC(=O)CC(=N)N1C;WIHJZEURQSTZSW-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313649;MM313649;N=C(N)C(CO)(CO)CO;NKWWHXKPFARYBT-UHFFFAOYSA-N;148.16;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313650;MM313650;CN1C(=N)CC(=N)NC1=N;UESSHSQAKODPEU-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313651;MM313651;CCC(CC)(CN)C(N)=O;SFVSJNBBGAERAG-UHFFFAOYSA-N;144.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313652;MM313652;CC(C)OCC=CC(N)=O;YDHPDNKLLVAXDL-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313653;MM313653;CCC(CO)(CO)C(N)=O;CYECNGFKZHGTNX-UHFFFAOYSA-N;147.17;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313654;MM313654;C=C1NC(=N)CC(=N)N1N;GDYHVPFACYTEEF-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313655;MM313655;CCC(CF)(CF)C(N)=O;QDWOMMOOFUXFNV-UHFFFAOYSA-N;151.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313656;MM313656;C=C1CC(=O)OC(=N)N1N;YHPLHRYHHHUZFI-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313657;MM313657;NCC(CO)(CO)C(N)=O;IKJIJJIVQZKSKK-UHFFFAOYSA-N;148.16;-2.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313658;MM313658;C=C1NC(=N)N(N)C(=N)N1;ORSPECWAFGQVPF-UHFFFAOYSA-N;140.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313659;MM313659;NC(=O)C(CO)(CO)CO;SIGJTZYHSCOGPT-UHFFFAOYSA-N;149.15;-2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313660;MM313660;C=Cc1onc(O)c1F;PFAFNOYAOOFPER-UHFFFAOYSA-N;129.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313661;MM313661;NC(=O)C(CO)(CO)CF;GTHOSWGCJWCVHS-UHFFFAOYSA-N;151.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313662;MM313662;Cn1cc(O)nn1;NNQKOSQYWYUCNE-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313663;MM313663;CCC(CF)(CF)C(=O)O;XHCGFVFIHISXKM-UHFFFAOYSA-N;152.14;1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313664;MM313664;Cn1c(=O)[nH]c(=O)oc1=O;XWNZFIRXODZNOA-UHFFFAOYSA-N;144.09;-1.97;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313665;MM313665;C=CC(C)(O)C(=O)NOC;DZAFNZNJUCGFSZ-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313666;MM313666;C=Cn1nnc(O)c1O;YCHPODORKZXTRB-UHFFFAOYSA-N;127.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313667;MM313667;C=C(F)C(CC)(CN)CF;VQHFZTJYHFMBEI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313668;MM313668;NC(=O)C(=O)NOC=NO;HXQFTQHDEAEIFR-UHFFFAOYSA-N;147.09;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313669;MM313669;C=C(F)C(CN)(CN)CF;OHBUFESBCGJYOQ-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313670;MM313670;O=C(O)C=NN1CC1;NYAQOFYFXYKZAP-UHFFFAOYSA-N;114.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313671;MM313671;C=C(C)C(CC)(CF)NC;WWZQQSGOJAUNRL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313672;MM313672;N#CC(F)(F)C(F)C=NO;GKNHCLZJNNHYBF-UHFFFAOYSA-N;152.08;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313673;MM313673;C=C(C)C(CN)(CF)NC;CSAIWMRIKINREC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313674;MM313674;Oc1n[nH]c(F)c1F;FDSFUFFNOMVOGB-UHFFFAOYSA-N;120.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313675;MM313675;CNC(CO)(CO)C(=N)N;XWERPMIGKGLBAI-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313676;MM313676;N#Cc1[nH]nc(O)c1O;KXCLHYMXXODPAI-UHFFFAOYSA-N;125.09;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313677;MM313677;C=C(F)C(CC)(CN)NC;FUGSORLLNWHIJU-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313678;MM313678;CN=c1cc[nH]nnc1=O;ZOGLTDKBRGRQDH-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313679;MM313679;C=C(F)C(CN)(CF)NC;DCNOYDOKHIHJON-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313680;MM313680;CC(=O)NC=NCC(=O)O;NADOGYGOGIPLAG-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313681;MM313681;CC(O)(C(=O)O)C(F)CO;OZRQNHQMQQCCIB-UHFFFAOYSA-N;152.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313682;MM313682;C=C1C(N)CC(C)CC1N;DYSASDYXDUXBRA-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313683;MM313683;C=C(F)C(CN)(CO)OC;OXYGGTNUDWNCDS-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313684;MM313684;C=C1C(O)CC(C)NC1C;RYIGHVDKQICLMI-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313685;MM313685;C=C(F)C(CO)(CF)OC;JGVYAJLGUJIYGV-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313686;MM313686;C=C1C(C)CC(C)OC1C;QFSGPMBHRLQQJR-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313687;MM313687;C=C(C)C(CN)(OC)OC;JRTHAKXZHKIWII-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313688;MM313688;C=C1C(O)CC(C)OC1C;GJWKRTYXLVNLAM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313689;MM313689;COC(CF)(OC)C(=N)N;NLSQDMFJHAAKDR-UHFFFAOYSA-N;150.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313690;MM313690;C=CC1(CO)OC1C(=O)O;VUGMWUBYWMCKBJ-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313691;MM313691;C=C1C(C)CN(C)CC1N;HKTVVXXJNJINTC-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313692;MM313692;C=CC(CC)(CC)C(=C)C;DVSHCPRSMGGTFA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313693;MM313693;C=C1CC(C)C(=C)C(C)O1;CHAXCTLOJJLTMB-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313694;MM313694;C=CC(CN)(CF)C(=C)C;FVEONMAWYAHVJP-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313695;MM313695;C=C1C(C)CC(=O)OC1C;JEKXWNOCTIKOKX-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313696;MM313696;C=CC(CC)(CC)C(C)=O;KLCMEALARATXEJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313697;MM313697;C=C1C(N)CC(=O)OC1C;SYQTUIXTKLDULV-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313698;MM313698;C=CC(CC)(CO)C(C)=O;KPHSMYNJWBMHJV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313699;MM313699;CN1CC(=N)NN(C)C1=N;QHRWRJMXGIJSJS-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313700;MM313700;CCC(C=O)(CO)C(C)=O;FUELEBGHGKANIB-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313701;MM313701;C=C1CC(N)CC(C)C1=C;VHGTWQKJJNFZJA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313702;MM313702;CC(=O)C(C=O)(CO)CO;ICEMLNHNIOSSJQ-UHFFFAOYSA-N;146.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313703;MM313703;C=C1CC(F)CC(C)C1=C;MAUKVTIHFYQBOW-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313704;MM313704;CC(=O)C(C#N)(CO)CO;BCANOTVRBUQXSU-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313705;MM313705;C=C1CC(C)CC(N)C1=C;ZXEINDXTZOAPGN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313706;MM313706;C=CC(CC)(CN)C(=N)N;QGWXVSJCBPJJTP-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313707;MM313707;C=C1CC(O)CC(N)C1=C;KOGKIRLFJKKBHY-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313708;MM313708;C=CC(CO)(CO)C(=N)N;UMRNNAHYCDFHQI-UHFFFAOYSA-N;144.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313709;MM313709;CC(O)C=CCCC(N)=O;LKXUQHHAOVMDNC-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313710;MM313710;N#CC(CO)(CF)C(=N)N;DYXYKXMZMPAQBA-UHFFFAOYSA-N;145.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313711;MM313711;C=C1CC(N)CC(O)C1=C;HVGVMBPCPKUCIC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313712;MM313712;C=CC(CC)(CN)C(N)=O;XJDPTMOZHVNKKH-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313713;MM313713;C=C1CC(O)CC(O)C1=C;TXWGRWYXLYSSLR-UHFFFAOYSA-N;140.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313714;MM313714;CCC(C#N)(CF)C(N)=O;BHRWMYDGUMPIKD-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313715;MM313715;C=C1C(=N)NC(C)CC1O;LPDKYWZEXMWPTL-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313716;MM313716;C=CC(CO)(CO)C(N)=O;UYXYTXDTVQPSGH-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313717;MM313717;C=C1OC(C)CC(C)C1=C;ACFAUUXWJOVLCD-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313718;MM313718;NC(=O)C(C=O)(CO)CO;BUELUXUPSCDKPE-UHFFFAOYSA-N;147.13;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313719;MM313719;C=C1OC(C)CC(N)C1=C;QGNKQLATBDPBTA-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313720;MM313720;Cn1c(O)nc(O)cc1=O;LIEBUXGPRGTSGI-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313721;MM313721;C=C1OC(C)CC(O)C1=C;HCVDVJJJJBVSKB-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313722;MM313722;C=C(F)C(C=O)(CC)CO;YXSRGJJOXNBHNM-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313723;MM313723;C=C1CN(C)CC(C)C1=C;MZRURXICSSZZDN-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313724;MM313724;C=CC(CN)(CF)C(=C)F;JBEZGSXOMBOOMH-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313725;MM313725;CC#CCC(C)CC(N)=O;BFEVIWSOCFDBJQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313726;MM313726;C=C(F)C(C=O)(CO)CO;XMOAWDBWRJDKHY-UHFFFAOYSA-N;148.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313727;MM313727;C=C1CC(=O)CC(C)C1=C;KYUVDHAXEJLXKU-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313728;MM313728;C=C(F)C(C#N)(CO)CO;GCMBVNKJVGTEJN-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313729;MM313729;C=C1CC(=C)C(=O)C(C)C1;ZPEKODGBFAHLHI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313730;MM313730;C=C(F)C(C#N)(CO)CF;APSLIMGTPXHOJP-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313731;MM313731;C=C1NC(=N)CC(C)C1=C;VEOQLRALOYZCTB-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313732;MM313732;C#CCC(O)CCCCO;VIWDZSQXOOWWLB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313733;MM313733;CC(=CC(N)=O)CCCO;HUYSOVOKYJRJDF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313734;MM313734;CC=CC(C)CCCCO;ZBHRYMMCJFKRSF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313735;MM313735;C=C1CC(=N)NC(C)C1=C;GKRNQQRRMAMQBT-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313736;MM313736;CC=CC(O)CCCCO;MTNZKIPFTFNUDB-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313737;MM313737;C=C1NC(=N)NC(C)C1=C;ROFSLXQQYFYRQN-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313738;MM313738;COC(C#N)(CO)C(C)=O;OKVMFAGOCZVZGK-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313739;MM313739;C=C1CC(=C)C(=C)C(C)O1;SGSORMSMODQTKF-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313740;MM313740;C=CC(CF)(OC)C(C)=O;BBMGTXNZFOMHJY-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313741;MM313741;CN(C)N=C(N)C(=O)O;HWPPMJLQFPPFFA-UHFFFAOYSA-N;131.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313742;MM313742;C=CC(CC)(OC)C(=N)N;SLSSRXSVUUTQAQ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313743;MM313743;C=CCC1=NC(=CO)C=N1;WYEOTISDXTWEKV-UHFFFAOYSA-N;136.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313744;MM313744;CCC(C=O)(OC)C(=N)N;WQQRJKWGVKBCRV-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313745;MM313745;CC(=NCC(=O)O)NC=O;UDEMWXOGUIKQAK-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313746;MM313746;CCC(C#N)(OC)C(=N)N;TYCJJGWMAIHJKR-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313747;MM313747;CCC1=NC(=CO)C=N1;PDDKGSUFGXTXOH-UHFFFAOYSA-N;124.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313748;MM313748;C=CC(CO)(OC)C(=N)N;DCHZBZOZCWRDEI-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313749;MM313749;N#Cc1[nH]nc(N)c1O;KDPFMWISSXYRBP-UHFFFAOYSA-N;124.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313750;MM313750;C=CC(CF)(OC)C(=N)N;NTHVMIJPYMNQGF-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313751;MM313751;CC(CO)N=C(N)C(=O)O;FCPSVLDRJUQRLP-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313752;MM313752;C=CC(CC)(OC)C(N)=O;GNNUPFLUBUFLEN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313753;MM313753;COC1=CC(=CO)C=N1;DKEDJBJGYMVNPP-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313754;MM313754;COC(C#N)(CF)C(N)=O;WMDNZLTVARKWFX-UHFFFAOYSA-N;146.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313755;MM313755;Cn1c(O)c(C#N)oc1=O;WSYUOZUWDUCPTQ-UHFFFAOYSA-N;140.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313756;MM313756;N#CC(=NO)C(O)CCO;LZXKLQMQPKYPQO-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313757;MM313757;C=C(CCC(N)=O)OCC;CJTOSPKOUOORAR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313758;MM313758;C=CC(CO)(OC)C(=C)F;TWDHZEPMMFQXLD-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313759;MM313759;CC#CC(C)CCC(N)=O;CSWZUMRQNFFCFU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313760;MM313760;C=C(F)C(C#N)(CO)OC;FFKQXOWDVPIINB-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313761;MM313761;C=Cn1[nH]cc(F)c1=O;QYKYDVIDJMYTEA-UHFFFAOYSA-N;128.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313762;MM313762;COC(C=O)(OC)C(C)=O;RNSMBQDYUCNLKB-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313763;MM313763;CCC(O)(CF)C(=O)O;LXHHDXXGIBGZAA-UHFFFAOYSA-N;136.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313764;MM313764;C=C(F)C(C=O)(OC)OC;ZEHSXYBBFDEPOS-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313765;MM313765;C=C(CCC(N)=O)C(C)O;QUSFYINQGCBKMY-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313766;MM313766;C#CC(CN)(CN)C(=C)C;BSCONSKRLIGMSK-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313767;MM313767;C=C(CCCC(N)=O)OC;RUHXXCKNTUHHOG-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313768;MM313768;C#CC(CN)(CF)C(=C)C;RLSPKVZXVWHNBK-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313769;MM313769;CC1(C)OC1C(=O)O;XAFLWKZCTIXPPU-UHFFFAOYSA-N;116.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313770;MM313770;C#CC(CF)(CF)C(C)=O;MQTSWNJZZJZDFI-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313771;MM313771;O=c1nnn(O)c(O)c1F;ZQTNWAFXCRPZQW-UHFFFAOYSA-N;147.07;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313772;MM313772;C#CC(CC)(CO)C(N)=O;NFWHKXDAZYSAGH-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313773;MM313773;CCC(=CC(N)=O)CCO;CLIGTSMWYKOFQU-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313774;MM313774;C#CC(CC)(CF)C(N)=O;JLPJJPQATGNRLB-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313775;MM313775;Cn1oc(=O)nc(N)c1=O;VWCIBVFOCJLUNG-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313776;MM313776;CC=CC(F)CCCCO;MMYJLPHYQWNXSW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313777;MM313777;C#CC(CF)(OC)C(=N)N;WLOPKWFSFBGTRM-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313778;MM313778;C=C(CO)OCC(=O)O;VNCKLJVAQTWZNV-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313779;MM313779;C#CC(CF)(OC)C(N)=O;NDIDDBQWRGWHSN-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313780;MM313780;C=CCOCCCC(N)=O;ZIJZADIFAPFCKC-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313781;MM313781;CC(=O)N1CC1C(=O)O;LUCZWZLUXRQKTQ-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313782;MM313782;COC=CCCCC(N)=O;NOLCMCGKVLYCHN-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313783;MM313783;C#CC(CN)(OC)C(=C)F;FITYYIWZWOBTPL-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313784;MM313784;O=C(O)COC=CCO;GQJCIUPZKNDYRU-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313785;MM313785;C#CC(CO)(OC)C(=C)F;TZPQMLADBKVQCA-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313786;MM313786;N#Cc1c[nH]n(C=O)c1=N;KUMNMUWEDMDCKL-UHFFFAOYSA-N;136.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313787;MM313787;C#CC(OC)(OC)C(=C)F;KDBBVRANOCCTLJ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313788;MM313788;ON=c1nnc(O)nn1O;GRHYXMQWGNCDIT-UHFFFAOYSA-N;145.08;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313789;MM313789;C=C(C)C(C#N)(C=O)CC;IZCDGESCYKXRRX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313790;MM313790;C=C(C)C(C#N)(C=O)CO;VXQSDWMWAMLKBF-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313791;MM313791;C=CCON=CC(=O)O;DDAKSUUIYJZCMS-UHFFFAOYSA-N;129.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313792;MM313792;CC(=NO)ONC(=O)CO;PJOINNRDFPFCCN-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313793;MM313793;C=CC(C=O)(CF)C(=C)C;FFSISHBXPLGSJN-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313794;MM313794;C=CC(C)(C=C)CNC=O;WUCADZZQFVFYJA-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313795;MM313795;C=CC(C=C)(CC)C(C)=O;WEZNOUPQPYDMTE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313796;MM313796;C#CCn1cc(O)nn1;UTPGRTVRNRMFGC-UHFFFAOYSA-N;123.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313797;MM313797;C=CC(C#N)(CC)C(C)=O;AKYBVBCEPJYREX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313798;MM313798;C=C1CC(=O)NC(=C)C1=C;BWBDVNYGXUQJSO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313799;MM313799;C=CC(C=C)(CO)C(C)=O;FOZIUPVPOPIZPN-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313800;MM313800;C=C1CC(=N)NC(=N)C1=C;DEADKGUPLYCJBM-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313801;MM313801;CC(=O)C(C=O)(C=O)CO;JVXRKDSAZQMREO-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313802;MM313802;C=C1CC(=O)NC(=N)C1=C;IKNJPHFXXAGSOO-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313803;MM313803;CC(=O)C(C#N)(C#N)CO;HPVCFRDKASJUNT-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313804;MM313804;C=C1CC(=O)OC(=C)C1=C;IFIBTVFWRWFXJK-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313805;MM313805;C=CC(C#N)(CF)C(C)=O;HPJCSWDTTQLPJH-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313806;MM313806;C=CC(CO)CCC(N)=O;AVOUTBYLEGGNFB-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313807;MM313807;C=CC(C#N)(CC)C(=N)N;QLXBDWLZUIGVKK-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313808;MM313808;CC1=CC(=N)N(N)C(C)C1;FKXWDCHMLHWUBA-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313809;MM313809;C=CC(C#N)(CO)C(=N)N;YZQAOQXIIOCNHD-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313810;MM313810;CC=C(CCC(N)=O)OC;NKGFUUXHKDSAPB-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313811;MM313811;N=C(N)C(C=O)(C=O)CO;RCNPLCHNKHFGPY-UHFFFAOYSA-N;144.13;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313812;MM313812;CC1C=C(F)CC(=N)N1N;OIYIICTWTANVKT-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313813;MM313813;C=CC(C=O)(CF)C(=N)N;IPTPWSPIISBIDI-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313814;MM313814;CC1=CC(=N)N(C)C(=N)C1;KTWFLWDKSHBFFH-UHFFFAOYSA-N;137.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313815;MM313815;C=CC(C#N)(CC)C(N)=O;RBLIXANLDSVMLN-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313816;MM313816;Cn1nnc(CO)c1O;DVSDAZGEJXKUSJ-UHFFFAOYSA-N;129.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313817;MM313817;C=CC(C=C)(CO)C(N)=O;GUEFGLRTTQIUMQ-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313818;MM313818;NC(=O)C=NNCC(=O)O;RRMXYWFIKNGMDL-UHFFFAOYSA-N;145.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313819;MM313819;C=CC(C#N)(CO)C(N)=O;GROCSSRRYWZCQD-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313820;MM313820;COc1nc(=N)nc(O)o1;MNDGRURKJIUDIQ-UHFFFAOYSA-N;143.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313821;MM313821;N#CC(C=O)(CO)C(N)=O;SJEOOHWNTXBTCZ-UHFFFAOYSA-N;142.11;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313822;MM313822;C=C1CC(C)=CC(=N)N1N;YUAQMRMVJJCYJX-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313823;MM313823;N#CC(C#N)(CF)C(N)=O;XNRNQVHSDFNNFW-UHFFFAOYSA-N;141.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313824;MM313824;C=C1NC(C)=CC(=N)N1C;LBLZKGYNSNJZNZ-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313825;MM313825;C=CC(C=C)(CC)C(=O)O;VABIZQKTMTZHQI-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313826;MM313826;C=C1NC(N)=CC(=N)N1C;WNNNDJVBXDAPDA-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313827;MM313827;C=CC(C=C)(NC)C(=C)C;LNERAFDSUHVPFM-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313828;MM313828;Cn1c(=N)cc(N)[nH]c1=N;QFOOERQMQQQOTE-UHFFFAOYSA-N;139.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313829;MM313829;C=CC(C#N)(NC)C(=C)C;NTYCCKOFSFXWNK-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313830;MM313830;CC#CC(C)CCCCO;WGMIBOYUJABKFK-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313831;MM313831;Cn1c(=N)cc(F)[nH]c1=N;JKHWRDWGMXWYLU-UHFFFAOYSA-N;142.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313832;MM313832;CC(O)C(C)CCCCO;COOUSMCZIBOBRA-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313833;MM313833;CCC(C=CC(N)=O)OC;IHNBCAGGEMYNIN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313834;MM313834;C=C(C)C(C)CCCCO;IIMARSULSDFQRB-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313835;MM313835;Cn1c(=O)cc(O)[nH]c1=N;LFKRBFUBBFTZMM-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313836;MM313836;C=CC=CCC(=C)C(N)=O;FKQKFAWNIPQOPK-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313837;MM313837;O=CNC=NNCC(=O)O;IXHCBZHFDFJEAB-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313838;MM313838;CC1CC1(C)CCCCO;PFJZSVQVFZNAQP-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313839;MM313839;CC1=NC(=CO)C=C1F;XEMSBHKVRVDZHI-UHFFFAOYSA-N;127.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313840;MM313840;CC1(CCCCO)CC1O;AQQSJVBUQYXFFQ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313841;MM313841;Cn1c(=N)nc(N)[nH]c1=N;GJWWPFTULOKCAM-UHFFFAOYSA-N;140.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313842;MM313842;CNC(C#N)(C#N)C(N)=O;GGLHYPLDMUZPBJ-UHFFFAOYSA-N;138.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313843;MM313843;C#CCCNC(C#N)C=O;MVEUTDJDFQUCLP-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313844;MM313844;C=CC(C=C)(OC)C(=C)C;GZSSBPGUKCLYBT-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313845;MM313845;Nn1[nH]nc(CO)c1=O;MDLFZZVWOWBCMZ-UHFFFAOYSA-N;130.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313846;MM313846;COC(C=O)(C=O)C(=N)N;SJZZZDQRVRXBLV-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313847;MM313847;C=C1C(N)C=C(F)CC1C;WAVKJLACURJUER-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313848;MM313848;C=CC(C=C)(OC)C(N)=O;CGGCPKZGNIPUHN-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313849;MM313849;C=C1C(O)C=C(F)CC1N;VLPCUJVFSPYFBA-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313850;MM313850;COC(C=O)(C=O)C(N)=O;IGJYEWDKLWNTDS-UHFFFAOYSA-N;145.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313851;MM313851;C=C1C=C(C)CC(C)C1=C;UEGQPHKXORSTKX-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313852;MM313852;C=C(F)C(C#N)(C=O)OC;BPQPHCCHQYMWON-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313853;MM313853;CNC1(C#N)CC1CC=O;JRURDJFSNFCEIE-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313854;MM313854;C=C(F)C(C#N)(C#N)OC;IJNUUHBNSKPGHW-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313855;MM313855;Cc1cc(O)c(=N)n(C)c1;MIZVZRLTMCJCIT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313856;MM313856;C#CC(C=O)(CC)C(=C)C;MXBYCJWOQNKDSW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313857;MM313857;CNN=c1[nH]oc(=O)o1;PPPYXNTZWFGTAA-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313858;MM313858;C#CC(C=C)(CN)C(=C)C;MNYYGZUZMUQDCJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313859;MM313859;NN(C=O)CC(O)C(=O)O;RVLUXQOFWWJPIR-UHFFFAOYSA-N;148.12;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313860;MM313860;C#CC(C=C)(CF)C(=C)C;ISQZXPYSUVVLBZ-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313861;MM313861;Cn1[nH]c(N)nc(=O)c1=N;UFMSBAQRKFEPCV-UHFFFAOYSA-N;141.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313862;MM313862;CN(O)C=NOCC(=O)O;ISJVGSAAWIURKM-UHFFFAOYSA-N;148.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313863;MM313863;C#CC(C=O)(CC)C(C)=O;RACZHHPNCNPHQA-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313864;MM313864;CN=c1c(=O)o[nH]n1C;YRCHEMPNAXYISJ-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313865;MM313865;C#CC(C=C)(CC)C(=N)N;FQALLIZPYQWNDC-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313866;MM313866;NC(C=CCC(=O)O)=NO;WVJDAWHTULCPLZ-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313867;MM313867;C#CC(C=C)(CN)C(=C)F;IUZBDTKKZUKEHH-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313868;MM313868;C=NN(C=N)CCC(=O)O;AWAPAIWWHCXOJP-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313869;MM313869;C#CC(C#N)(NC)C(=C)C;SRNMXUHQUZEWOB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313870;MM313870;N#Cc1oc(=NO)oc1O;KKHMJSQFFZZFJB-UHFFFAOYSA-N;142.07;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313871;MM313871;C#CC(C=C)(OC)C(C)=O;LRUMHSWSYLHWSK-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313872;MM313872;O=C(O)C=COCC(F)F;DAJQAVQUJDKALT-UHFFFAOYSA-N;152.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313873;MM313873;C#CC(C=O)(OC)C(C)=O;HQEQGJSXZPZTFX-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313874;MM313874;CC(=O)CCC(O)C(=O)O;ZTKZAEPGGBIAAW-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313875;MM313875;C#CC(C=O)(OC)C(N)=O;YMMJLVOPMUFXLX-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313876;MM313876;CC=CC(O)C(=O)NOC;USAVZOQYJDCRMH-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313877;MM313877;C=CC(C=C)(C=C)C(=C)C;PVWGZVALPIIIRB-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313878;MM313878;O=Cn1cc(F)c(O)n1;ICVRPOIREABLEB-UHFFFAOYSA-N;130.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313879;MM313879;C=CC(C=O)(C=O)C(=C)C;GHZUMVVYENOVPD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313880;MM313880;OCc1noc(O)n1;LNMGIGDFGUNVQX-UHFFFAOYSA-N;116.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313881;MM313881;C=CC(C=C)(C=C)C(C)=O;JRIAGCAONZQZBJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313882;MM313882;Oc1ocnc1F;NHOGWOKLPYQQAX-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313883;MM313883;C=CC(C=C)(C=O)C(C)=O;SCUZUCXHPTZZPU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313884;MM313884;CC(O)C=C(C=O)C(=O)O;ZLGLCVLUIIPDIQ-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313885;MM313885;C=NN=C(C=O)CC(=O)O;ZHSLWXFHLLQETF-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313886;MM313886;CC(=O)C(C=O)(C=O)C=O;HCHJDOFEKRAGDY-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313887;MM313887;Cc1cc(=O)c(=N)n(C)o1;MIRYQXYLDBQRBF-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313888;MM313888;C=CC(C=C)(C=C)C(=N)N;DFNXIBMQNCEJFL-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313889;MM313889;CC(=O)NCC(=O)O;OKJIRPAQVSHGFK-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313890;MM313890;N=C(N)C(C=O)(C=O)C=O;FLTPZAOVASRPQY-UHFFFAOYSA-N;142.11;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313891;MM313891;Cn1oc(F)cc(=O)c1=N;SHJPKORVFAVXLJ-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313892;MM313892;C=CC(C=C)(C=C)C(N)=O;ACCXYNZCBGQWCD-UHFFFAOYSA-N;137.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313893;MM313893;Cc1cc(=O)c(=N)n(N)o1;LKKPBOWWWPMEPL-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313894;MM313894;C=CC(C=C)(C=C)C(=O)O;VQIWZVAXGGFBSH-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313895;MM313895;CN(C=O)CC(=O)O;CGENPBMSAIVDAP-UHFFFAOYSA-N;117.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313896;MM313896;C=CC(C=C)(C=C)C(=C)F;NTVLTOAHJPGQDV-UHFFFAOYSA-N;138.19;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313897;MM313897;N=c1c(=O)cc(F)on1N;YOMZJNZCBYPUHM-UHFFFAOYSA-N;145.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313898;MM313898;C=C(F)C(C#N)(C#N)C=O;XSHNPKRLVKYHPJ-UHFFFAOYSA-N;138.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313899;MM313899;N=CN=C1CN=C(C=O)N1;FFBBMYIHWGRJHI-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313900;MM313900;C=C(F)C(C#N)(C#N)C#N;VHUQSDPIWNKDOT-UHFFFAOYSA-N;135.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313901;MM313901;CCCn1cc(O)nn1;BOTFMJRQOOTSMR-UHFFFAOYSA-N;127.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313902;MM313902;C#CC(C=O)(C=O)C(=C)C;HKNKRVUGMORAIX-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313903;MM313903;CCNc1c[nH]c(C#N)c1;MOOBUMPDVDSRTE-UHFFFAOYSA-N;135.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313904;MM313904;C#CC(C=C)(C=O)C(N)=O;DKMGFEVLKNLUDC-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313905;MM313905;Cc1cc(=O)c(=O)n(C)o1;KQAAGLIPGYBFSP-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313906;MM313906;Cn1oc(F)cc(=O)c1=O;ZPXVXMCHLYHASE-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313907;MM313907;C#CC(C#N)(C=C)C(N)=O;WTFZQMRYMOBROQ-UHFFFAOYSA-N;134.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313908;MM313908;Cc1cc(=O)c(=O)n(N)o1;GCSZNHHEQWPIBS-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313909;MM313909;C#CC(C#N)(C=O)C(N)=O;LRCRUAHBGIQDPU-UHFFFAOYSA-N;136.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313910;MM313910;CCn1cc(O)nn1;OFZRSDXZXSNSPX-UHFFFAOYSA-N;113.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313911;MM313911;C#CC(C#C)(C=O)C(N)=O;YWEXOBUCGJGCMT-UHFFFAOYSA-N;135.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313912;MM313912;Nn1oc(F)cc(=O)c1=O;HNXQPSMXVVEOTO-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313913;MM313913;CCC1C(C)C(C)(C)C1C;RPYXDJZJTPVHGO-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313914;MM313914;N#CCn1cc(O)nn1;SZOVNTFVAJOSBF-UHFFFAOYSA-N;124.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313915;MM313915;CC1C(CN)C(C)C1(C)C;STZBGELDMJSVKE-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313916;MM313916;C#CC(F)(C#C)C(C)=NO;LPULVAYQXYCLHV-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313917;MM313917;CC1C(CF)C(C)C1(C)C;UFIVHNPUZVSATJ-UHFFFAOYSA-N;144.23;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313918;MM313918;CC#CC(F)(C=O)C=NO;QAXUHPREWXHCDV-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313919;MM313919;CCC1C(C)C(C)(C)C1N;JDPABMMZKHMFBQ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313920;MM313920;CNC=C(OC)C(=O)O;VAKQVMWWNCEGJF-UHFFFAOYSA-N;131.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313921;MM313921;CC1C(CF)C(C)C1(C)N;MBFLXLAKJIAJSH-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313922;MM313922;Cc1nc(=O)c(=N)n(C)o1;BXPRQVXUPWXXIZ-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313923;MM313923;CC1(CCCCO)CC1F;UAUBFGJXTHUAGR-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313924;MM313924;C=CN=C1CN=C(OC)N1;ISDBJVKRQOJPHB-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313925;MM313925;CNC1C(C)C(C)(N)C1C;GYRHUJOPLLCYTM-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313926;MM313926;C=NOC(=NO)C(F)CF;WAOMVJLOTLRDQK-UHFFFAOYSA-N;152.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313927;MM313927;Cn1oc(F)nc(=O)c1=N;IRBUBCSDAXIVFM-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313928;MM313928;CCN1C(C)C(C)(C)C1C;KVKGNSXTWSCUGO-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313929;MM313929;Cc1nc(=O)c(=N)n(N)o1;FVLKFNHWRBGQBR-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313930;MM313930;C=CC1C(C)C(C)(C)C1C;GAMRDUAAGDYHQS-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313931;MM313931;C=Cc1c[nH]c(N=N)c1C;QSMIVRHOSWULKU-UHFFFAOYSA-N;135.17;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313932;MM313932;CC1C(C=O)C(C)C1(C)C;MLJZWZWVFNSKJG-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313933;MM313933;CNN=COCC(=O)O;FJJQBOAMCUVBCD-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313934;MM313934;CC1C(C#N)C(C)C1(C)C;RBGZOQSYDOGUNT-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313935;MM313935;N=c1c(=O)nc(F)on1N;KEDAQTMTHPFCAL-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313936;MM313936;CC1C(C#N)C(C)C1(C)O;JRYKKFMWEBCXCB-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313937;MM313937;Cc1nc(=O)c(=N)n(O)o1;QSPLHLDMPJVDTI-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313938;MM313938;C=CC1C(C)C(C)(F)C1C;CTQGGFWNOHDAJB-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313939;MM313939;N=c1c(=O)nc(N)on1O;PIXLXXPLJSZBON-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313940;MM313940;CC1C(C#N)C(C)C1(C)F;ZBXSSJKVSBDNCE-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313941;MM313941;Cn1nnc(=NO)[nH]1;OGMFLZOWHZEVFO-UHFFFAOYSA-N;115.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313942;MM313942;C=CC1C(C)C(C)(C)N1C;AGORPESFTNHTOV-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313943;MM313943;N=c1c(=O)nc(F)on1O;KVSUAKBKDCIZQE-UHFFFAOYSA-N;147.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313944;MM313944;CC1C(C#N)N(C)C1(C)C;GVBSIOGNXOMSDT-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313945;MM313945;C=C1CC(F)=CC(C)C1=C;BQDDQHPEEPYNKR-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313946;MM313946;C#CC1C(C)C(C)(C)C1C;GFGRXVWQIOYZFI-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313947;MM313947;C=C1CC(C)=CC(N)C1=C;AXSGCZOWOJFEOM-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313948;MM313948;C#CC1C(C)C(C)(C)C1N;RHGNLELTJPGYAK-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313949;MM313949;C=C1C(=N)NC(C)=CC1N;OCQHCHZXIOMMNE-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313950;MM313950;C#CC1C(C)C(C)(N)C1C;FXYIUDCSQIFFOT-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313951;MM313951;Cn1cc(N)nc(N)c1=N;OYARSVFAQRQKME-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313952;MM313952;C#CC1C(C)C(C)(N)C1N;GOYWUNKUEBTWAO-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313953;MM313953;Cn1cc(F)nc(N)c1=N;DQDYUOKWKXYWSD-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313954;MM313954;CC1CC1(F)CCCCO;IEVPMNFYNBSSSD-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313955;MM313955;CCNC(C#N)C=O;GBPVYBUTJOURMF-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313956;MM313956;C#CC1C(C)C(C)(F)C1C;DQDBINRKYRJFIX-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313957;MM313957;CC(O)CCCC(N)=O;IJUVFAOHNIUYMC-UHFFFAOYSA-N;131.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313958;MM313958;C=CC1(C)CC1C(N)=O;RXPICDYJHVAZNC-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313959;MM313959;C#CC1C(C)C(C)(C)N1C;AYMBDSUBTYJPFS-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313960;MM313960;N=c1cc(O)oc(=N)nn1;ZYFNMRLZZVZWCO-UHFFFAOYSA-N;140.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313961;MM313961;CC1C(C#N)C(=O)C1(C)C;WBSCLRGIHSJEJV-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313962;MM313962;CCNN=c1[nH]oc(=O)o1;GMYYOVJHOKJTHW-UHFFFAOYSA-N;145.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313963;MM313963;C=CC1C(=O)C(C)(O)C1C;LHQYMLUDBNEFLM-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313964;MM313964;Cc1cn(C)c(=N)c(=O)o1;GNAHMGVZPNZVGL-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313965;MM313965;CC1OC1(C)CCCCO;MEUYVVCGGKKKGX-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313966;MM313966;CCC(=O)CC=NNC;KXNJQOHAGDKAIH-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313967;MM313967;C#CC1C(=O)C(C)(C)C1C;OMDKWMVTEKMTJJ-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313968;MM313968;COC(=N)N(O)CC(=O)O;AWXCYLBRGANLDD-UHFFFAOYSA-N;148.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313969;MM313969;CCCC1CC(C(N)=O)C1;BDMIFYWMSZRDSC-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313970;MM313970;Cn1cc(F)oc(=O)c1=N;OFXOFIQHGMZMNP-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313971;MM313971;CCC(CC)C1CC1(C)C;TUNPBLNQDGXOAA-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313972;MM313972;Cc1cn(N)c(=N)c(=O)o1;OGHPIBGKJZZNLT-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313973;MM313973;CCC(CN)C1CC1(C)C;IEOJZGAICLIZGU-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313974;MM313974;COC1=NC(C)C(=N)N1;UQILLNJXSSOOLL-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313975;MM313975;CC(C)C1CC(C(N)=O)C1;QEBGCFYRXHJPAL-UHFFFAOYSA-N;141.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313976;MM313976;C=NNC=NCCC(=O)O;GBUQLVMHWNNWAL-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313977;MM313977;CCC(CF)C1CC1(C)C;VTZJMOZGBOMUAQ-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313978;MM313978;N=c1c(=O)oc(F)cn1N;HBSRDONXJQGEIF-UHFFFAOYSA-N;145.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313979;MM313979;CCC(CC)C1CC1(C)N;MSIOVDWVSWBZJM-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313980;MM313980;C=C(C(N)=O)C1CC1C;CZGFQGZZARAWPI-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313981;MM313981;CCC(CN)C1CC1(C)N;RXDNFNFHJJEPFO-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313982;MM313982;C#CC(C)(CC)CC(N)=O;YZZIUHFOUXNPQP-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313983;MM313983;CCC(CO)C1CC1(C)N;ZEBFLFXFZXUDBE-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313984;MM313984;CC(=NO)NCCC(=O)O;QXHLJVXWSVBIDH-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313985;MM313985;CC(C=CC(N)=O)CCO;IHZJPAHHPSGTSR-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313986;MM313986;CCC(CF)C1CC1(C)N;YGISAGFNEVMDBE-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313987;MM313987;Cc1cn(C)c(=O)c(=O)o1;DGMGVUCFUASPOV-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313988;MM313988;CC1(N)CC1C(CN)CN;UVUIAXFZPOSFPN-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313989;MM313989;Cn1cc(N)oc(=O)c1=O;ZTFYEJPBAZQERI-UHFFFAOYSA-N;142.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313990;MM313990;CC1(N)CC1C(CN)CO;MYUJZWBWOJMHML-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313991;MM313991;O=c1nc(F)c(=O)nn[nH]1;UDCYRLMYEHVGJG-UHFFFAOYSA-N;144.07;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313992;MM313992;C=CC1(C)CC1C(=C)CO;PABLOJAMELCDBB-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313993;MM313993;Cn1cc(F)oc(=O)c1=O;QXRXAMGSZNGDOF-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313994;MM313994;CCC(CN)C1CC1(C)O;FITLVOIFYNIFPT-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313995;MM313995;Cc1cn(N)c(=O)c(=O)o1;XXCDYHRCNIYTKZ-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313996;MM313996;CCC(CO)C1CC1(C)O;YEBLIDKOPKLXGR-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313997;MM313997;CC(C)=CCC(C)NC=O;GCRKRUCKWABLKP-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313998;MM313998;CCC(CF)C1CC1(C)O;BJYRBBBVUYBCLB-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM313999;MM313999;CCC(=O)OC(C)C(=O)O;IIXDEBPBOJRJKB-UHFFFAOYSA-N;146.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314000;MM314000;CC1(O)CC1C(CN)CO;WPALEJOVCOGRJJ-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314001;MM314001;Nn1cc(F)oc(=O)c1=O;CIWNTIJTSUSQHA-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314002;MM314002;CCC(CC)C1CC1(C)F;UGKBJMPHNBYHKE-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314003;MM314003;C#CC(=C)OC=CC(=O)O;UINLABSKJBVAQE-UHFFFAOYSA-N;138.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314004;MM314004;CCC(CN)C1CC1(C)F;KZJHUHZXUBRJMY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314005;MM314005;COC(C=C(C)F)C(=O)O;GEYWBGKKFFZMOZ-UHFFFAOYSA-N;148.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314006;MM314006;CCC(CO)C1CC1(C)F;QLVDIDJHHJIFKV-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314007;MM314007;C#CCC(OC)C(=O)O;PCYHSAYJICLZNI-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314008;MM314008;CC1(F)CC1C(CN)CN;FRVSXSMNXBNTOB-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314009;MM314009;COCC(C)(O)C(=O)O;LHWVEJYUAGZMCC-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314010;MM314010;CC1(F)CC1C(CN)CO;NZJYJULXFHGFTG-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314011;MM314011;Cc1nn(C)c(=N)c(=O)o1;NORRYPMDZQFNLI-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314012;MM314012;CC1(F)CC1C(CO)CF;YVMIHQAJSKXAQF-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314013;MM314013;CCC(O)CC=CC(N)=O;PQRMESAFTHTRNQ-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314014;MM314014;CCC(CC)C1CC1(F)F;ZVEGNVONQYJJKL-UHFFFAOYSA-N;148.2;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314015;MM314015;CCC(=O)CC(O)C(=O)O;HPLBDMWPXGSDEG-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314016;MM314016;CCC(CN)C1CC1(F)F;POIHPJADTYKHIT-UHFFFAOYSA-N;149.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314017;MM314017;Cn1nc(F)oc(=O)c1=N;TVOBZZLCOOBHQZ-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314018;MM314018;NCC(CN)C1CC1(F)F;LCZLZMQLSNFCKI-UHFFFAOYSA-N;150.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314019;MM314019;Cc1nn(N)c(=N)c(=O)o1;UEVISOKFBLUUNV-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314020;MM314020;CCC(NC)C1CC1(C)C;DHFWEGVEBUZFCA-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314021;MM314021;COC(C)CC=CC(N)=O;SDEZOCQRLUNLKU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314022;MM314022;CNC(CN)C1CC1(C)C;SSIFLFAHOMDMIG-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314023;MM314023;C#CC1(O)CC1C(=O)O;XNCBZDHVTBILPF-UHFFFAOYSA-N;126.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314024;MM314024;CCC(NC)C1CC1(C)N;IGLFWSMHKGCRJY-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314025;MM314025;N=c1c(=O)oc(F)nn1N;BHCULBQPLSWFHZ-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314026;MM314026;CNC(CN)C1CC1(C)N;LDXSNEHWVFAQIV-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314027;MM314027;Cc1nn(O)c(=N)c(=O)o1;QJSCYGRFNBVKOS-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314028;MM314028;CCC(NC)C1CC1(C)O;GUZXVBXAPUILLJ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314029;MM314029;CC=C(C)CC(C)NC=O;FAWZDALBGBGVQG-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314030;MM314030;CNC(CN)C1CC1(C)O;PNIIJUPTHRLBSE-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314031;MM314031;CC=C(C(=O)O)C(=O)CO;GWNRQARODWPLRR-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314032;MM314032;CCC(NC)C1CC1(C)F;LOUKCUXSRPFMNS-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314033;MM314033;N=c1c(=O)oc(F)nn1O;VXCHNFDOECGOIC-UHFFFAOYSA-N;147.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314034;MM314034;CNC(CN)C1CC1(C)F;CYVIZPAWHSJFRK-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314035;MM314035;Cc1nn(C)c(=O)c(=O)o1;NJINEEJNLXZFCL-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314036;MM314036;CCC(NC)C1CC1(F)F;UNXUGQVFZXXXLS-UHFFFAOYSA-N;149.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314037;MM314037;C=CCC(C)C(C)NC=O;JAHLFNXPSCVCSC-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314038;MM314038;CCC(OC)C1CC1(C)C;KUKGXXPWIYJYFA-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314039;MM314039;Oc1nc(CF)no1;IIWSMHLSCZTHOE-UHFFFAOYSA-N;118.07;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314040;MM314040;COC(CO)C1CC1(C)C;HPSHFXLCFRDKAX-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314041;MM314041;Cn1nc(F)oc(=O)c1=O;DKSQDUSDFFXTEG-UHFFFAOYSA-N;146.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314042;MM314042;COC(CF)C1CC1(C)C;RIWCEEVGQIACKW-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314043;MM314043;Cc1nn(N)c(=O)c(=O)o1;IXSRVRQTAFLKRD-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314044;MM314044;CCC(OC)C1CC1(C)N;SBDCJLKRVAFYQY-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314045;MM314045;CCC1(C)NC1C(=O)C=O;CVJPSPFQZUHVBX-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314046;MM314046;COC(CN)C1CC1(C)N;LNDQJVQUGYIETB-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314047;MM314047;COC(C)(CO)C(=O)O;MRATYJKCJCIUCZ-UHFFFAOYSA-N;134.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314048;MM314048;COC(CO)C1CC1(C)N;NVVJXEZMOOEMMQ-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314049;MM314049;Nn1nc(F)oc(=O)c1=O;YQPUNOYXTJCWQN-UHFFFAOYSA-N;147.07;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314050;MM314050;COC(CF)C1CC1(C)N;QLGQAMDMPXLPHL-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314051;MM314051;O=C(O)CC(O)C#CCO;YYLPENCJEHCXGP-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314052;MM314052;CCC(OC)C1CC1(C)O;QHSIZNBSSKEXHL-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314053;MM314053;N#CCc1nn[nH]n1;XONQDQHBPSHLPD-UHFFFAOYSA-N;109.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314054;MM314054;COC(CN)C1CC1(C)O;BHEZXPHQFZDTBY-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314055;MM314055;Oc1cc(F)nn1O;TZDWURONVNQHDU-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314056;MM314056;COC(CO)C1CC1(C)O;DFSCJMUADVFHRY-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314057;MM314057;O=CCCNN=CC(=O)O;CVAPFQSDSBRFTI-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314058;MM314058;COC(CF)C1CC1(C)O;SBRAKJBRDGBNCY-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314059;MM314059;CC1(CO)C=CC(CO)=C1;HMPNBMGEINMJJE-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314060;MM314060;COC(CO)C1CC1(C)F;TWMPRDVEONBXCP-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314061;MM314061;CC1=CC(N)CC(=N)N1C;NKSJQWVLJMMLCG-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314062;MM314062;CCC(OC)C1CC1(F)F;AHTPJGDEWFPNSW-UHFFFAOYSA-N;150.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314063;MM314063;CC1=CC(O)CC(=N)N1C;UZCZGYVDLZXMDC-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314064;MM314064;COC(OC)C1CC1(C)C;ZQGHSPMZACDLER-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314065;MM314065;Cn1c(N)cc(O)cc1=N;JETODQSRITXDTF-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314066;MM314066;COC(OC)C1CC1(C)N;HOFUTWMNZNWOIM-UHFFFAOYSA-N;145.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314067;MM314067;C=C1C=C(C)N(C)C(=O)C1;VAWRXCSVSIGHFF-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314068;MM314068;COC(OC)C1CC1(C)F;LCACETABYCZRSB-UHFFFAOYSA-N;148.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314069;MM314069;Cc1cc(O)cc(=O)n1C;FZLIGRQKDXWIEQ-UHFFFAOYSA-N;139.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314070;MM314070;CCN(CC)C1CC1(C)C;FQIDUXKTIDDALD-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314071;MM314071;Cn1c(N)cc(O)cc1=O;CBXMWQNLROOUHZ-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314072;MM314072;CCN(CC)C1CC1(C)N;SKKXAJLUXWCYIA-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314073;MM314073;Cc1cc(O)cc(=N)n1O;HTOKZNQMZWBOHL-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314074;MM314074;C#CCC(OC)ON=CC;MPNULOLJGDCWSI-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314075;MM314075;CCN(CC)C1CC1(C)O;FONNDVPFGGTLNT-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314076;MM314076;Cc1cc(N)nc(=N)n1C;GZLQSGPKXOEMRM-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314077;MM314077;CCN(CC)C1CC1(F)F;RCDDORYSOQJGIZ-UHFFFAOYSA-N;149.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314078;MM314078;Cn1c(N)cc(N)nc1=N;YWAIDTWYKNMKFF-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314079;MM314079;CCC(CN)C1NC1(C)C;VWQFCHFHXPANMJ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314080;MM314080;Cn1c(N)cc(=O)[nH]c1=N;BAUWXNZGBVCTEM-UHFFFAOYSA-N;140.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314081;MM314081;CC1(C)NC1C(CN)CN;SZXRRRFMKZPBQP-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314082;MM314082;Cn1c(F)cc(N)nc1=N;AODWXECRDUCMFK-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314083;MM314083;CC1(C)NC1C(CN)CO;AFPIEJQVHRWLLZ-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314084;MM314084;C=CC(C=CC)CNC=O;QJRXWRRPRIXSBJ-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314085;MM314085;CCC(NC)C1NC1(C)C;HMOFCJLFEGJKOL-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314086;MM314086;CNC(CN)C1NC1(C)C;ZXNAYQUYFYIUGZ-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314087;MM314087;Cn1c(N)cc(N)nc1=O;LYWZEGBIVCTCHO-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314088;MM314088;CNC(CO)C1NC1(C)C;GMPUWQFVIKWLNV-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314089;MM314089;Cn1c(N)cc(=O)[nH]c1=O;GZLZRPNUDBIQBM-UHFFFAOYSA-N;141.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314090;MM314090;COC(OC)C1NC1(C)C;OTWOTXSNUVFJDZ-UHFFFAOYSA-N;145.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314091;MM314091;Cn1c(F)cc(N)nc1=O;HLKDBQDBYSEZNN-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314092;MM314092;CCC(CC)C1OC1(C)C;DDIWKJLSOVHDDS-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314093;MM314093;CN=c1[nH]n(O)c(=O)n1O;QYVYOFLZBHJZHG-UHFFFAOYSA-N;146.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314094;MM314094;CCC(CN)C1OC1(C)C;DEAYBEJTSKGAJN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314095;MM314095;Cc1cc(N)nc(=N)n1N;LFRWVADSBAASOM-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314096;MM314096;CCC(CO)C1OC1(C)C;PJADGEWJGSOROG-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314097;MM314097;N=c1[nH]c(=O)cc(N)n1N;YOGFCROLTUOEER-UHFFFAOYSA-N;141.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314098;MM314098;CC1(C)OC1C(CN)CN;SKMXTPBEHNPGMS-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314099;MM314099;N=c1nc(N)cc(F)n1N;RFWDZSCPWQQWPC-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314100;MM314100;CC1(C)OC1C(CN)CO;HVEFXPWYYJDQIR-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314101;MM314101;O=C(O)C=CN(O)C=NO;ZMFNHOQNVPCFCN-UHFFFAOYSA-N;146.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314102;MM314102;CCC(NC)C1OC1(C)C;QFXMBKOJVLFSRP-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314103;MM314103;C=CC(CNC=O)C(=C)C;RNQKAMRCSKLNEC-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314104;MM314104;CCC(OC)C1OC1(C)C;SABYNQMHVOMWBP-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314105;MM314105;OC=C1C=NC(F)=C1;IHLRUMXKIDCQDX-UHFFFAOYSA-N;113.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314106;MM314106;COC(CO)C1OC1(C)C;BELJAFMWXQJUIR-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314107;MM314107;Cc1cc(N)nc(=N)n1O;HWINALCVQXUVSU-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314108;MM314108;COC(OC)C1OC1(C)C;BXCCDQWXCLQKHN-UHFFFAOYSA-N;146.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314109;MM314109;CCC(CN)N1CC1(C)C;BDJYFVUOSJRXDO-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314110;MM314110;N=c1nc(N)cc(N)n1O;IEVHJYMFQDJCIU-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314111;MM314111;CCC(CF)N1CC1(C)C;HCHRPGVEKAWFIS-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314112;MM314112;N=c1[nH]c(=O)cc(N)n1O;PHBRROLCXYXCIU-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314113;MM314113;CC1(C)CN1C(CN)CN;FPRNWUPIVWAZNY-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314114;MM314114;C=Cn1nc(O)n(N)c1=O;GWDRINMDBQKVII-UHFFFAOYSA-N;142.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314115;MM314115;CC1(C)CN1C(CN)CO;BPDNGLMGNADHMU-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314116;MM314116;C=C(C(=O)O)C(N)=NO;FGTMQYIJCCLVJT-UHFFFAOYSA-N;130.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314117;MM314117;C=CC(CC)C1CC1(C)C;JHTBNCNXEULHIB-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314118;MM314118;CNc1n[nH]c(C#N)c1O;XROGANMGSMEBNS-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314119;MM314119;CCC(C=O)C1CC1(C)C;NENJLXKLUSEUTA-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314120;MM314120;CN(CC=O)C(=N)C(=O)O;XXLPXVJGWXCCKT-UHFFFAOYSA-N;144.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314121;MM314121;CCC(C#N)C1CC1(C)C;OUPXKZOCWFUDBS-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314122;MM314122;NN=c1[nH]c(=NO)on1O;NGJRWCGZNTVPAB-UHFFFAOYSA-N;147.09;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314123;MM314123;C=CC(CN)C1CC1(C)C;WXYFOUSOHJEWQA-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314124;MM314124;CC(F)C(=O)NCC(=O)O;JMAOTWOWNBLJJB-UHFFFAOYSA-N;149.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314125;MM314125;CC1(C)CC1C(C=O)CO;BPEWHATXGFWVGU-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314126;MM314126;O=Cc1cc(=O)o[nH]1;LPZVCEJGFXRWSQ-UHFFFAOYSA-N;113.07;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314127;MM314127;CC1(C)CC1C(C#N)CO;BAPZFECGAONSRR-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314128;MM314128;O=CC1(CC(=O)O)CO1;OGNZOWPALBJGDU-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314129;MM314129;CC1(C)CC1C(C#N)CF;YRHSHVCZHAEKLZ-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314130;MM314130;C#CC=CCOCC(=O)O;VMHYJGMRQXBWRJ-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314131;MM314131;C=CC(CC)C1CC1(C)N;JLSQKKUHJNXRIA-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314132;MM314132;C=CC(CN)C1CC1(C)N;HUXOJLIZCMXRCC-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314133;MM314133;CONC(=O)C(CO)=NO;NDLHBZKAUYGSGW-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314134;MM314134;C=CC(CO)C1CC1(C)N;JQQOYAKSORAAFW-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314135;MM314135;Nc1c(O)nnn1C=O;YVCBYJHTDLOYLV-UHFFFAOYSA-N;128.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314136;MM314136;C=C(CO)C1CC1(C)C=O;PMOFZQZCCJQDKM-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314137;MM314137;Nc1c(O)nn(O)c1F;YIUVCMMECASEQA-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314138;MM314138;CCC(C=O)C1CC1(C)O;WLJJZNKTPDLZSS-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314139;MM314139;N#Cc1[nH]nc(O)c1F;QIDOLQICOPVDJQ-UHFFFAOYSA-N;127.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314140;MM314140;CCC(C#N)C1CC1(C)O;QZQHUAZAYJXLHE-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314141;MM314141;N=c1nn[nH]c(O)nc1=N;QSZMBCLITBLWEX-UHFFFAOYSA-N;140.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314142;MM314142;C=CC(CN)C1CC1(C)O;GADLHMRFUTYCEJ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314143;MM314143;Nn1oc(=O)nc(O)c1=O;FPUHDJHOCCXBLJ-UHFFFAOYSA-N;145.07;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314144;MM314144;C=CC(CO)C1CC1(C)O;TUJYYJWUNUVIIC-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314145;MM314145;N=c1nnc(=O)[nH]nc1O;LHYIJOUZYAGHGY-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314146;MM314146;CC1(O)CC1C(C#N)CO;NGFZRTUCVFRIKE-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314147;MM314147;C=CN(C)C(=NN)C(=O)O;WCZACZMQIOJREL-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314148;MM314148;C=CC(CC)C1CC1(C)F;XWRGDOYBJBZRDU-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314149;MM314149;C=C1C(C)=CC(N)CC1C;OTVPWJIMUXGWIZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314150;MM314150;CCC(C=O)C1CC1(C)F;AWTDFFRRVAQRIM-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314151;MM314151;CCNc1cc(CF)on1;GDXFXCXSXZHKSL-UHFFFAOYSA-N;144.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314152;MM314152;CCC(C#N)C1CC1(C)F;QMEXUAVSKPJRJQ-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314153;MM314153;C=C1C(C)=NN(C)CC1C;SXGOBEPPYCHVDA-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314154;MM314154;C=CC(CN)C1CC1(C)F;QESRGOVVCHEURV-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314155;MM314155;C=CC(CO)C1CC1(C)F;NNWVYPVRPNPXRC-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314156;MM314156;C=C1C=C(C)C(=C)C(C)C1;SDXJLDGRTODHHT-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314157;MM314157;C=CC(CF)C1CC1(C)F;BWIITECUFSEKEU-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314158;MM314158;C=C1C(C)=CC(=O)CC1C;WTXBKEQYSGNKCO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314159;MM314159;CC1(F)CC1C(C=O)CF;QUIBEDLMJCNARW-UHFFFAOYSA-N;148.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314160;MM314160;C=C1C=C(C)C(=C)C(N)C1;TXUNIXKOCABTRZ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314161;MM314161;C=CC(CC)C1CC1(F)F;OXEJMAQVDWNUHL-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314162;MM314162;NN=CC#CCC1CC1O;UETKPKZTPIQMER-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314163;MM314163;CCC(C=O)C1CC1(F)F;PXAOIBOIWYBHHT-UHFFFAOYSA-N;148.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314164;MM314164;CC(N)=CC(N)=O;UAUSQEVPWPGBHG-UHFFFAOYSA-N;100.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314165;MM314165;CCC(C#N)C1CC1(F)F;OTOKATGHULWMBK-UHFFFAOYSA-N;145.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314166;MM314166;CC(C)C(C)NC=O;ZPDGQGUHCOIMBK-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314167;MM314167;C=CC(CN)C1CC1(F)F;MCCLDVWUFYEJDF-UHFFFAOYSA-N;147.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314168;MM314168;O=C(O)C(C=CF)C=NO;QKSFQLLVDUGLOK-UHFFFAOYSA-N;147.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314169;MM314169;C=CC(CO)C1CC1(F)F;PTWAYPTVYFMNLH-UHFFFAOYSA-N;148.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314170;MM314170;CONC(=O)C(=O)NC=N;HNKCJROCLNSYSL-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314171;MM314171;C=CC(CF)C1CC1(F)F;ALYAJQUJONGDEW-UHFFFAOYSA-N;150.14;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314172;MM314172;O=C(O)CNC(CO)=NO;DNUJBVZEUYZIMN-UHFFFAOYSA-N;148.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314173;MM314173;C=CC(NC)C1CC1(C)C;NRKCUGGFZDNJPI-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314174;MM314174;Cc1cc(=O)on(C)c1=N;PKQLIOZQURSERR-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314175;MM314175;CNC(C#N)C1CC1(C)C;MKXBBKMZTHPLSW-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314176;MM314176;C=CC(C)CNC=O;FXOWPDFBOSQZSJ-UHFFFAOYSA-N;113.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314177;MM314177;C=CC(NC)C1CC1(C)N;LMQDVRAVLRTXTD-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314178;MM314178;CNC(C#N)C1CC1(F)F;PJRNAEOZNURIDX-UHFFFAOYSA-N;146.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314179;MM314179;Cn1oc(=O)cc(F)c1=N;XZIWHTSHRVJWSQ-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314180;MM314180;C=CC(OC)C1CC1(C)C;MIHCQUFZHATVLF-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314181;MM314181;COC1=NCC(=N)N1;MLTLGLSKPSSWOM-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314182;MM314182;COC(C=O)C1CC1(C)C;OFQZKHMMYFFMAG-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314183;MM314183;N=c1c(F)cc(=O)on1N;SVXRMDNLWFXLLY-UHFFFAOYSA-N;145.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314184;MM314184;C=CC(OC)C1CC1(C)N;DFVXLLJVVNNCJH-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314185;MM314185;Nc1[nH]nc(F)c1N;KMROKSUTTCUQNM-UHFFFAOYSA-N;116.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314186;MM314186;COC(C=O)C1CC1(C)F;ANPXBHYLIYBCHJ-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314187;MM314187;C=NN1CC1(C)CC=O;WEEWDVOGGKWOJR-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314188;MM314188;COC(C#N)C1CC1(C)F;ZSUQCAWGFLUFRU-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314189;MM314189;Cc1cc(=O)on(C)c1=O;PPOGWZIVIYWVJP-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314190;MM314190;C=CC(OC)C1CC1(F)F;YAAAHTPEXBKOOX-UHFFFAOYSA-N;148.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314191;MM314191;Cn1oc(=O)cc(N)c1=O;QIJAAXUZAVJPNQ-UHFFFAOYSA-N;142.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314192;MM314192;COC(C=O)C1CC1(F)F;NQBUDJMPCWSVJT-UHFFFAOYSA-N;150.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314193;MM314193;Cn1oc(=O)cc(F)c1=O;ZTCINSKIWCXCLI-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314194;MM314194;COC(C#N)C1CC1(F)F;QPPVVVQIZJBALP-UHFFFAOYSA-N;147.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314195;MM314195;C=CC1CC(C(N)=O)C1;FCJUUILWYJMIRP-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314196;MM314196;CCN(C=N)C1CC1(C)C;QWICLINDSQXNOY-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314197;MM314197;C=C(CC1CC1)C(N)=O;WMCIMZJFCJRYEK-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314198;MM314198;CCN(C=O)C1CC1(C)C;JQUGTHCEIMWATP-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314199;MM314199;CCN(C=N)C1CC1(C)N;ATDALQKAKFPYFD-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314200;MM314200;Nn1oc(=O)cc(F)c1=O;WZHFQODXLZZBFC-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314201;MM314201;CCN(C=O)C1CC1(C)N;GZRTYMOOGHOCRO-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314202;MM314202;C#CC(NN=C)C(=O)O;FNJLJMLGBOAXKR-UHFFFAOYSA-N;126.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314203;MM314203;CCN(C=N)C1CC1(C)O;VORKEXXZYPETQC-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314204;MM314204;CCc1nc(=N)cc(O)o1;AGSDTSQZGJASKL-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314205;MM314205;CCN(C=O)C1CC1(C)O;RHCANKXVCQPDPC-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314206;MM314206;COc1c[nH]n(O)c1=O;HQHOUNGJLKLGPS-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314207;MM314207;CCN(C=N)C1CC1(C)F;VMKAQNNQDJVJEN-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314208;MM314208;CC#CC(=CC(=O)O)OC;RWKXAPFKXZAUFY-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314209;MM314209;CCN(C=O)C1CC1(C)F;XAVSUFRUVSJSEK-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314210;MM314210;Cc1nc(=O)on(C)c1=N;LEZVPTMQRXICOH-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314211;MM314211;Cn1oc(=N)nc(F)c1=N;WYMJJNJGEPZBIL-UHFFFAOYSA-N;144.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314212;MM314212;CCN(C=N)C1CC1(F)F;SSMMZDUVIUNBLF-UHFFFAOYSA-N;148.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314213;MM314213;Cn1oc(=O)nc(F)c1=N;RAPQWDXUKWJFIE-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314214;MM314214;CCN(C=O)C1CC1(F)F;IMZDQIWFUIOFRK-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314215;MM314215;Cc1nc(=N)on(N)c1=N;CCOJXDMEKSTAJL-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314216;MM314216;C=NN(CC)C1CC1(C)C;IQNLRQCQPFMGSP-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314217;MM314217;Cc1nc(=O)on(N)c1=N;XZPIIWRBBGEGSE-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314218;MM314218;C=NN(CC)C1CC1(C)N;IOXUQUJXILZLSS-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314219;MM314219;N=c1nc(F)c(=N)n(N)o1;YIKGVSSFQDQWCN-UHFFFAOYSA-N;145.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314220;MM314220;C=CC1(C)CC=C(CO)C1;SOJGESRBTJTEKV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314221;MM314221;N=c1c(F)nc(=O)on1N;ZVTLFDJRGAJQKC-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314222;MM314222;CNN(C=N)C1CC1(C)C;PNNYCFYYWFJZJW-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314223;MM314223;CC(=CC1CC1)C(N)=O;SQTBJCITDXGXES-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314224;MM314224;CNN(C=O)C1CC1(C)C;YEVRVZPSHBBUOP-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314225;MM314225;C=CCC1CC1C(N)=O;OVBMSTKNRQZDLG-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314226;MM314226;CNN(C=N)C1CC1(C)N;MZVBLGQTUNVXFW-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314227;MM314227;N=c1nc(F)c(=N)n(O)o1;MJZJDJXOOCZVPK-UHFFFAOYSA-N;146.08;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314228;MM314228;CNN(C=O)C1CC1(C)N;RNOSHVSHXAZAMC-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314229;MM314229;N=c1c(F)nc(=O)on1O;CUIJJIUPJHGIEE-UHFFFAOYSA-N;147.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314230;MM314230;CNN(C=N)C1CC1(C)O;PTJYTNIEMSQUBH-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314231;MM314231;Cc1nc(=N)on(C)c1=O;HWXAABCKJOMJAY-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314232;MM314232;CC1(C=O)CC=C(CO)C1;LYOFWWKOWBGLFP-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314233;MM314233;Cc1nc(=O)on(C)c1=O;MMDCXCUNEAGMCZ-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314234;MM314234;CNN(C=N)C1CC1(C)F;SOHBETMQZUUDFT-UHFFFAOYSA-N;145.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314235;MM314235;Cn1oc(=N)nc(F)c1=O;JVNZCQVEPPRBKA-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314236;MM314236;CNN(C=O)C1CC1(C)F;JKTXXHXFOUWSHW-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314237;MM314237;Cn1oc(=O)nc(F)c1=O;XHTUFXZGOUDQBJ-UHFFFAOYSA-N;146.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314238;MM314238;CON(C=O)C1CC1(C)C;JYSWKMUXOMKKKW-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314239;MM314239;Cc1nc(=N)on(N)c1=O;XTTFVAXQJKHJBR-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314240;MM314240;CON(C=O)C1CC1(C)N;CAPGNAOQOAJYGE-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314241;MM314241;Cc1nc(=O)on(N)c1=O;WOXBUHOUGDVDPQ-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314242;MM314242;CON(C=O)C1CC1(C)O;SPUCNPFYTTVPHF-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314243;MM314243;N=c1nc(F)c(=O)n(N)o1;WBSVCFZJBTYYMF-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314244;MM314244;CON(C=O)C1CC1(C)F;BOQWDJHDURVNNT-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314245;MM314245;Nn1oc(=O)nc(F)c1=O;CXCBJAGUAKFQGS-UHFFFAOYSA-N;147.07;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314246;MM314246;C=C(OC)C(C)(O)C(=O)O;JJFAEOJKJWFJAT-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314247;MM314247;CON(C=O)C1CC1(F)F;VKFQDDIFDOPGIR-UHFFFAOYSA-N;151.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314248;MM314248;C=CC(O)(COC)C(=O)O;MEUIPMFRMJPFPN-UHFFFAOYSA-N;146.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314249;MM314249;CCC(C#N)C1NC1(C)C;MNAMYUPRAFHBKQ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314250;MM314250;C=COC=CC(O)C(=O)O;OGXGINWPLUOTJD-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314251;MM314251;C=CC(CN)C1NC1(C)C;KQZLDLIFDLIPAI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314252;MM314252;C=C(C)C(O)(CO)C(=O)O;RJTVCDUKWVYBFO-UHFFFAOYSA-N;146.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314253;MM314253;C=CC1(C)C=C(CO)CC1;RSCMZPRFYUJRQS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314254;MM314254;C=C1CC(C)C=C(C)C1=O;WWIISFZOTPKHSF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314255;MM314255;CC1(C)NC1C(C#N)CF;UVLNWGUWPNOEFN-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314256;MM314256;C=C1CC(O)C=C(C)C1=O;LETXWCXEWUZBJD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314257;MM314257;C=CC(NC)C1NC1(C)C;RQVLIZXQZZRVGR-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314258;MM314258;C=C1CC(F)C=C(C)C1=O;XLMXHVVJVFEXBK-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314259;MM314259;CC1(C=O)C=C(CO)CC1;FSUNTQWIBMYJEW-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314260;MM314260;Cc1cn(C)cc(O)c1=O;YERBAPFICFJHKR-UHFFFAOYSA-N;139.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314261;MM314261;C=CC(CC)C1OC1(C)C;OQQHYNXZGCIZIY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314262;MM314262;C=CC(CO)(OC)C(=O)O;FGBDOFFUJLSUMQ-UHFFFAOYSA-N;146.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314263;MM314263;CCC(C=O)C1OC1(C)C;KRPPSUSMDATBAC-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314264;MM314264;Cc1nn(C)nc(N)c1=O;QXQLDPJVWXJJDC-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314265;MM314265;CCC(C#N)C1OC1(C)C;ROESIGJKRVGMGZ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314266;MM314266;Cn1nc(N)c(=O)c(F)n1;PDIZLPSVKVQYJB-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314267;MM314267;C=CC(CN)C1OC1(C)C;BNHGNAKYKCXXLL-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314268;MM314268;C#Cc1noc(O)c1O;PJLKPPJZVWBLAG-UHFFFAOYSA-N;125.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314269;MM314269;C=CC(CO)C1OC1(C)C;PUDBEGNTQJYTIR-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314270;MM314270;Cn1cc(F)c(=O)c(=O)o1;SFVJHGCEBJRVOU-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314271;MM314271;CC1(C)OC1C(C=O)CO;APEDPNNQCZGTAS-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314272;MM314272;Nn1cc(F)c(=O)c(=O)o1;KRPINIZJQYNJEC-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314273;MM314273;CC1(C)OC1C(C#N)CO;LZQHGAGWUKRSFZ-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314274;MM314274;O=c1on(O)cc(F)c1=O;NADSVBCBJUEVSF-UHFFFAOYSA-N;147.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314275;MM314275;C=CC(CF)C1OC1(C)C;SVHAJNICFYQNCC-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314276;MM314276;Cc1nn(C)oc(=O)c1=O;AAXLEVCBSGGQOL-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314277;MM314277;CC1(C)OC1C(C#N)CF;QKFFJXQRHSZNLW-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314278;MM314278;Cn1nc(F)c(=O)c(=O)o1;FBASTJUQFOMTNW-UHFFFAOYSA-N;146.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314279;MM314279;C=CC(OC)C1OC1(C)C;JPLWJFARPQQADW-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314280;MM314280;C=c1[nH]c(=N)cc(C)c1=C;DESOJTDOUIZVBK-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314281;MM314281;C=c1[nH]c(=O)cc(C)c1=C;GGEXUUWTVGSEDH-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314282;MM314282;COC(C=O)C1OC1(C)C;ZRYDEDGNAHKBPE-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314283;MM314283;C=c1[nH]c(=N)cc(N)c1=C;MMEAKADMGPUEIJ-UHFFFAOYSA-N;135.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314284;MM314284;CCC(C=CC(C)O)CC;GCOQVAYQIBLWNJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314285;MM314285;C=c1[nH]c(=O)cc(N)c1=C;BRRLINXCVMLRRL-UHFFFAOYSA-N;136.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314286;MM314286;CCC(C#N)N1CC1(C)C;NUABIBIQLHIUTF-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314287;MM314287;C=c1[nH]c(=N)cc(F)c1=C;IHHPSQGAFAXZKI-UHFFFAOYSA-N;138.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314288;MM314288;C=CC(CN)N1CC1(C)C;XQBSVFTVPVYTDX-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314289;MM314289;C=c1[nH]c(=O)cc(F)c1=C;YWRPODODEQRTQN-UHFFFAOYSA-N;139.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314290;MM314290;CCC(C=CC(C)O)CO;RRMUMDFUTYIBIY-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314291;MM314291;C=c1cc(F)c(=C)c(=N)[nH]1;GSWQWPXQSDCZCQ-UHFFFAOYSA-N;138.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314292;MM314292;N#CC1(CF)CC(CO)C1;BTBYPPGDDREBPL-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314293;MM314293;C=c1cc(F)c(=C)c(=O)[nH]1;KTHDVYHYMSPERW-UHFFFAOYSA-N;139.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314294;MM314294;CCN(C=N)N1CC1(C)C;QINOEUOXVZRJIX-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314295;MM314295;C=c1[nH]c(=N)nc(C)c1=C;FGEAGUQQSMWJRS-UHFFFAOYSA-N;135.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314296;MM314296;CCN(C=O)N1CC1(C)C;ZBTHLRFAMRWJLD-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314297;MM314297;C=c1[nH]c(=O)nc(C)c1=C;LOJXYBKLXCUKKF-UHFFFAOYSA-N;136.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314298;MM314298;C#CC(CC)C1CC1(C)C;WQAHBJFIWQUBQF-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314299;MM314299;C=C1C(=N)NC(=O)N=C1C;JFCLLEJEPPEBCJ-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314300;MM314300;C#CC(CN)C1CC1(C)C;RFNRZTIPGMVPAH-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314301;MM314301;C=C1NC(=O)N=C(C)C1=O;MJHWAKYWBXXTIT-UHFFFAOYSA-N;138.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314302;MM314302;CCC(C)CCCCCO;WWRGKAMABZHMCN-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314303;MM314303;Cc1cc(C)n(C)c(=N)c1;DWBVYIZENALPBL-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314304;MM314304;C#CC(CF)C1CC1(C)C;MTWQWKZCPRSMML-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314305;MM314305;Cc1cc(N)cc(=N)n1C;FODMSZXLWCKJQF-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314306;MM314306;C#CC(CC)C1CC1(C)N;RPOXRYDLLRPENT-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314307;MM314307;Cc1cc(F)cc(=N)n1C;ROKFIJPTYHILPS-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314308;MM314308;C#CC(CN)C1CC1(C)N;XZODDQBLWRDCNC-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314310;MM314310;C#CC(CO)C1CC1(C)N;XONZLXMBJUQPJR-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314309;MM314309;Cc1cc(N)n(C)c(=N)c1;QIPHGSVWJRWYOD-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314311;MM314311;Cn1c(N)cc(N)cc1=N;JZYMBVBZXQXJCG-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314312;MM314312;C#CC(CF)C1CC1(C)N;OXBBLLAIONFCSQ-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314313;MM314313;Cn1c(N)cc(F)cc1=N;FLJXHVANGILVMC-UHFFFAOYSA-N;141.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314314;MM314314;CC(CF)CCCCCO;KJBCNDOSVCQQAG-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314315;MM314315;Cc1cc(F)n(C)c(=N)c1;QYEAZEPRFHQYAC-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314316;MM314316;C#CC(CN)C1CC1(C)O;ITEKBWLLNYCMAZ-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314317;MM314317;Cn1c(F)cc(N)cc1=N;JSKGZDVCNRLMSV-UHFFFAOYSA-N;141.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314318;MM314318;C#CC(CF)C1CC1(C)O;PXTWKOSDVYXYPR-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314319;MM314319;Cc1cc(N)cc(=O)n1C;OTJSKSZNESTQBA-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314320;MM314320;C#CC(CC)C1CC1(C)F;DATNWFDZISKNNR-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314321;MM314321;Cc1cc(F)cc(=O)n1C;KFBPPAVLUKJHCQ-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314322;MM314322;C#CC(CO)C1CC1(C)F;IGUQYAMQBQBZSF-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314323;MM314323;Cc1cc(N)n(C)c(=O)c1;UQMBLTAZMKCHJY-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314324;MM314324;C#CC(CF)C1CC1(C)F;FULIGLMUALETQN-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314325;MM314325;CNc1c[nH]c(C#N)c1;KDBMCGWJIHQFKS-UHFFFAOYSA-N;121.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314326;MM314326;C#CC(CN)C1CC1(F)F;HQZRTIYKIAVOAP-UHFFFAOYSA-N;145.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314327;MM314327;Cn1c(N)cc(F)cc1=O;KXZDHQDZZQWAIM-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314328;MM314328;C#CC(CF)C1CC1(F)F;WPXBAHMJJCCBEM-UHFFFAOYSA-N;148.13;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314329;MM314329;Cc1cc(F)n(C)c(=O)c1;IZCXRVHNAPGZAP-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314330;MM314330;C#CC(NC)C1CC1(C)F;PXDIINLPEGTGDL-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314331;MM314331;Cn1c(F)cc(N)cc1=O;BXEQDRVJOQSVNX-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314332;MM314332;C#CC(NC)C1CC1(F)F;UESGGIQBHWZIHR-UHFFFAOYSA-N;145.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314333;MM314333;Cn1c(F)cc(O)cc1=O;YUWDMOXTAPLBEO-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314334;MM314334;C#CC(OC)C1CC1(C)C;PXGHEGSTHXRWRF-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314335;MM314335;Cn1c(F)cc(F)cc1=O;LFGUWPXQNVZAFN-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314336;MM314336;C#CC(OC)C1CC1(C)N;RLLVHQSIVSLYNE-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314337;MM314337;Cc1cc(C)n(N)c(=N)c1;URISAXNACZTCPB-UHFFFAOYSA-N;137.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314338;MM314338;C#CC(OC)C1CC1(C)F;JQRXYTSEKQCGSU-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314339;MM314339;Cc1cc(O)cc(=N)n1N;VCFVCVKXCUIRGM-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314340;MM314340;C#CC(CN)C1NC1(C)C;PKSWRHDWARPQJO-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314341;MM314341;Cc1cc(F)cc(=N)n1N;PHFDDOYMJSVXEO-UHFFFAOYSA-N;141.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314342;MM314342;C#CC(CC)C1OC1(C)C;MEGRQTGYIGAVSB-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314343;MM314343;Cc1cc(N)n(N)c(=N)c1;WDOYKDBKONWULU-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314344;MM314344;C#CC(CN)C1OC1(C)C;YSRQXOOIFJFXNS-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314345;MM314345;N=c1cc(N)cc(N)n1N;HVNUGKHCYKHLOF-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314346;MM314346;C#CC(CO)C1OC1(C)C;PIDLKSAHHIMJCO-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314347;MM314347;N=c1cc(F)cc(N)n1N;BRKKZXXAYKNCHK-UHFFFAOYSA-N;142.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314348;MM314348;C#CC(OC)C1OC1(C)C;NDXASGHEWIQFQE-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314349;MM314349;N=c1cc(F)cc(F)n1N;UHVUXNVNCLSQEO-UHFFFAOYSA-N;145.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314350;MM314350;C#CC(CN)N1CC1(C)C;WHBLMBRUZIRGQU-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314351;MM314351;COCC(=O)NOC=NO;KJLPRWAPGXFORA-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314352;MM314352;OCCCCCC(F)CF;XHYZYJFOPLRYAN-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314353;MM314353;Cc1cc(F)n(N)c(=O)c1;UWIDZPZTAPCZFF-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314354;MM314354;C#CC(CF)N1CC1(C)C;MPEHHHUSLMUDQL-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314355;MM314355;CCC(C)(C)CC(=O)NC;NPGKIPGWRZUDHD-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314356;MM314356;C=CC(C=C)C1CC1(C)C;PPTSVZNYIHZXFB-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314357;MM314357;Nn1c(F)cc(O)cc1=O;JYLUXVUNTODQBE-UHFFFAOYSA-N;144.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314358;MM314358;C=CC(C=O)C1CC1(C)C;JKGLETDDRMAEKS-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314359;MM314359;Nn1c(F)cc(F)cc1=O;KBIDAKKIYHQBTM-UHFFFAOYSA-N;146.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314360;MM314360;C=CC(C#N)C1CC1(C)C;JUZUWZVBGGWLPI-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314361;MM314361;Cc1cc(C)n(O)c(=N)c1;YLLKTVHQEXZWMD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314362;MM314362;CC1(C)CC1C(C#N)C=O;MHIPPVKNGNNMAA-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314363;MM314363;Cc1cc(N)n(O)c(=N)c1;QOECQHGSJGZLMD-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314364;MM314364;CC1(C)CC1C(C#N)C#N;ROUSGZZKPMNVNG-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314365;MM314365;N=c1cc(F)cc(N)n1O;CFGDTTUDEBNEDQ-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314366;MM314366;C=CC(C=C)C1CC1(C)N;ZWTUWHQQVCDLPW-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314367;MM314367;Cc1cc(O)n(O)c(=N)c1;DFZOYTHLNJRQCC-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314368;MM314368;COC(C)CCCCCO;NFNLSVRTIYAZTO-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314369;MM314369;N=c1cc(N)cc(O)n1O;DKCBDMAMUFOEAI-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314370;MM314370;C=CC(C#N)C1CC1(C)O;YBPMNEFJYIPQAZ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314371;MM314371;C=C(C)CCC(C)NC=O;BWJIOAOEWFSTJC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314372;MM314372;CC1(O)CC1C(C#N)C=O;VWVAWJFVNYYLRB-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314373;MM314373;N#Cc1cnn(O)c1O;RZZMJKZPGDDRGL-UHFFFAOYSA-N;125.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314374;MM314374;CC1(O)CC1C(C#N)C#N;ZDLFHUHTQYLUPB-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314375;MM314375;COC(=NO)NCC(=O)O;GWFSRKYKUPWKDS-UHFFFAOYSA-N;148.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314376;MM314376;C=CC(C=C)C1CC1(C)F;HPMPNXWCXWUZJB-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314377;MM314377;Nn1nnc(O)c1O;PYJOZAXXVYPYFY-UHFFFAOYSA-N;116.08;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314378;MM314378;C=CC(C=O)C1CC1(C)F;LSFNQWQXRLDMSR-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314379;MM314379;Nc1nn(N)c(F)c1O;WIUURRXQOHJHQB-UHFFFAOYSA-N;132.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314380;MM314380;C=CC(C#N)C1CC1(C)F;BQBBWFUZONNISE-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314381;MM314381;Cc1cc(=N)n(C)c(C)n1;TZBLJUDRVHQOBK-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314382;MM314382;CC1(F)CC1C(C#N)C=O;GKJHKLRAPFTZAU-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314383;MM314383;Cc1nc(N)cc(=N)n1C;HPRZUMGBMIQILJ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314384;MM314384;C=CC(C=C)C1CC1(F)F;WVBWLJOZKSKWPW-UHFFFAOYSA-N;144.16;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314385;MM314385;Cc1cc(=N)n(C)c(N)n1;MNSIIAHICPSJNS-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314386;MM314386;C=CN(C=N)C1CC1(C)C;SDCWGQHNQSGKOJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314387;MM314387;Cn1c(N)nc(N)cc1=N;QFOOERQMQQQOTE-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314388;MM314388;C=CN(C=O)C1CC1(C)C;FSOPBKWWNSHISA-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314389;MM314389;Cn1c(N)nc(F)cc1=N;JKHWRDWGMXWYLU-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314390;MM314390;CC1(C)CC1N(C=N)C=N;SZPCRYXDDIGWBP-UHFFFAOYSA-N;139.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314391;MM314391;C=CC(C)CC(C)NC=O;WSJBEDOAZQIWAN-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314392;MM314392;C=CN(C=N)C1CC1(C)N;KOXXHHUIAJOKRU-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314393;MM314393;Cc1nc(F)cc(=O)n1C;VORYZTFLWDVVHC-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314394;MM314394;C=CN(C=O)C1CC1(C)N;BKVAGTITWSFACP-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314395;MM314395;Cc1cc(=O)n(C)c(N)n1;QHBNWVXJNYHDIW-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314396;MM314396;CC1(N)CC1N(C=N)C=N;INBGADKARLQNIF-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314397;MM314397;C#CC(CCC)CC(N)=O;QHVOAYWQFXXUHQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314398;MM314398;CC1(N)CC1N(C=N)C=O;QXOLYZWXGTXDMP-UHFFFAOYSA-N;141.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314399;MM314399;Cn1c(N)nc(F)cc1=O;XKNPSZBVCMSWFA-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314400;MM314400;CC1(N)CC1N(C=O)C=O;LOLDXPJNXQMWPN-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314401;MM314401;Cn1nc(O)n(N)c1=O;CZJRBSRCXYFZMD-UHFFFAOYSA-N;130.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314402;MM314402;C=CN(C=N)C1CC1(C)O;PSSFYRUQPNUFOP-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314403;MM314403;CCn1nnc(=NO)[nH]1;QPJAJDJMUMYKQK-UHFFFAOYSA-N;129.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314404;MM314404;C=CN(C=O)C1CC1(C)O;OWBSRTBREKHBOD-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314405;MM314405;CC(OC(=O)NN)C(=O)O;YMJUBDMBWZMSFO-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314406;MM314406;CC(C=O)CCCCCO;YLWMHHHEUZGQLS-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314407;MM314407;Cc1nc(F)cc(=N)n1N;XHYLQYMOTJWQKG-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314408;MM314408;N=c1cc(N)nc(N)n1N;UASODCAYWFQLPF-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314409;MM314409;CC1(O)CC1N(C=O)C=O;XSTFWHCLPULOKC-UHFFFAOYSA-N;143.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314410;MM314410;N=c1cc(F)nc(N)n1N;QOTDFRPDYRZMOG-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314411;MM314411;C=CN(C=N)C1CC1(C)F;WDSZUENZEVVPFZ-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314412;MM314412;NC(=NCCO)C(=O)O;DCHYVSRZYSJFJB-UHFFFAOYSA-N;132.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314413;MM314413;C=CN(C=O)C1CC1(C)F;LNMMSJAIQLHLAN-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314414;MM314414;CN(C)N=c1[nH]oc(=O)o1;IBSBQGPMKWSEOK-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314415;MM314415;CC1(F)CC1N(C=N)C=O;NMOIQPLOPMKTQW-UHFFFAOYSA-N;144.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314416;MM314416;NN=c1nnoc(=O)[nH]1;XKVQZIMGFZOMAK-UHFFFAOYSA-N;129.08;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314417;MM314417;CC1(F)CC1N(C=O)C=O;NFRMRBPOSWAEBV-UHFFFAOYSA-N;145.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314418;MM314418;CC(CC=O)C(F)C(=O)O;JRXWKNZUEGUWPN-UHFFFAOYSA-N;148.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314419;MM314419;C=NN(C=N)C1CC1(C)C;APLKLRVXANSVFX-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314420;MM314420;C#CC(CC(N)=O)C(C)C;SQJRCAGFWXQCAY-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314421;MM314421;C=NN(C=O)C1CC1(C)C;CYAXXVDSYRAHPX-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314422;MM314422;C=Cn1[nH]cc(C#N)c1=O;YQVVJNMLWVDOIB-UHFFFAOYSA-N;135.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314423;MM314423;C=NN(C=O)C1CC1(C)N;RIZJCMMNPHWMHW-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314424;MM314424;O=C(O)CCOC(=O)NO;XVLOFIWWAACTGG-UHFFFAOYSA-N;149.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314425;MM314425;C=CC(O)CCCCCO;XEXSBXKKNKXLTA-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314426;MM314426;CCn1nc(O)c(=NO)o1;JTEUXDFHUYPDBK-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314427;MM314427;CN(C=O)CCCCCO;PDODGSTZQHFCRM-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314428;MM314428;O=CC(F)C(=O)C(=O)CO;DRESIMGZSRVCOE-UHFFFAOYSA-N;148.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314429;MM314429;C=NN(C=O)C1CC1(C)F;BRXUUXXGZUGLON-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314430;MM314430;ON=c1c(F)c(O)on1O;UMFPEWQZLAHZBH-UHFFFAOYSA-N;150.07;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314431;MM314431;C=NN(C=N)C1CC1(F)F;OTAHIRDJFXRMOV-UHFFFAOYSA-N;147.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314432;MM314432;CC(C)C1=CC(=CO)N=N1;TZMPDGDZQAXAOF-UHFFFAOYSA-N;138.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314433;MM314433;C=CC(C#N)C1NC1(C)C;IHUJTDGEIPRFQN-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314434;MM314434;CCCC1=CC(=CO)N=N1;QHUXSBUBGWKRDO-UHFFFAOYSA-N;138.17;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314435;MM314435;C=C(CF)CCCCCO;YEOGVGQUYSAEKS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314436;MM314436;O=C(O)C=NOCCCF;VVGCOROWNRXQGF-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314437;MM314437;CC1(C)NC1C(C#N)C#N;QSCYQSONNJJCCU-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314438;MM314438;FCc1nnn[nH]1;DGVJUEVUFNLPIO-UHFFFAOYSA-N;102.07;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314439;MM314439;C=CC(C=C)C1OC1(C)C;OWUASGRPPDZHDD-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314440;MM314440;CC(NC=O)C(=O)O;SRBATDDRZARFDZ-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314441;MM314441;C=CC(C=O)C1OC1(C)C;KPHFOIHZDOZLQT-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314442;MM314442;Cc1cc(C)n(C)c(=N)n1;VKIIMOIVUDKMFI-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314443;MM314443;C=CC(C#N)C1OC1(C)C;YIDGPUKJJXSUHM-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314444;MM314444;Cc1cc(F)nc(=N)n1C;MJUPEGSWULUMDP-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314445;MM314445;CC1(C)OC1C(C=O)C=O;UXIKTMODUXVRRA-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314446;MM314446;Cc1cc(N)n(C)c(=N)n1;BMOCXYCKJMLXBN-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314447;MM314447;CC1(C)OC1C(C#N)C=O;GPMSZZHUEOMAET-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314448;MM314448;Cn1c(N)cc(F)nc1=N;ZKXTTXKJEWWGAV-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314449;MM314449;C=CC(C=C)N1CC1(C)C;FBZVDGXFLQPTQI-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314450;MM314450;Cc1cc(F)n(C)c(=N)n1;MFVOVWVQDPYLFF-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314451;MM314451;C=CC(C#N)N1CC1(C)C;QZUOBXQRAMPVJR-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314452;MM314452;Cc1cc(F)nc(=O)n1C;DGABUMCLICYWDF-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314453;MM314453;CC1(C)CN1C(C=O)C=O;WKURZRHMLWTJKQ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314454;MM314454;Cc1cc(N)n(C)c(=O)n1;XFVQVECMJAZORN-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314455;MM314455;CCC(=O)CCCCCO;DSWFUOQBRIBDGN-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314456;MM314456;Cn1c(N)cc(F)nc1=O;OMBGDDGKUGKOFG-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314457;MM314457;CC1(C)CN1C(C#N)C#N;IJRYUBPMMDRLJS-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314458;MM314458;Cc1cc(F)n(C)c(=O)n1;KTYZNSNZCKAVID-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314459;MM314459;C=CN(C=N)N1CC1(C)C;IDPVEWMNHUXNOT-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314460;MM314460;Cn1c(F)cc(F)nc1=O;JQQPRMLBYQRGHN-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314461;MM314461;C=CN(C=O)N1CC1(C)C;DLKQYHBGRZWODM-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314462;MM314462;Cc1cc(N)n(N)c(=N)n1;LAYMPPSCDSVDBV-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314463;MM314463;CC1(C)CN1N(C=N)C=O;KULJASFBJILZGU-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314464;MM314464;N=c1nc(F)cc(F)n1N;AJFVKVPESQZWAZ-UHFFFAOYSA-N;146.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314465;MM314465;CC1(C)CN1N(C=O)C=O;OUWMNBLMFBCLJS-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314466;MM314466;C=CC(NC=O)C(=O)O;GXTBEXRIIWJWFP-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314467;MM314467;C#CC(C=C)C1CC1(C)C;VHWNFPOIEZOPDK-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314468;MM314468;Cc1cc(F)n(N)c(=O)n1;WERNPSCRJXFKQX-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314469;MM314469;C#CC(C=O)C1CC1(C)C;SOCQAJBBHNHTGA-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314470;MM314470;Nn1c(F)cc(F)nc1=O;UMSMTILSNHYIBH-UHFFFAOYSA-N;147.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314471;MM314471;C#CC(C#N)C1CC1(C)C;YTGMAWYXENVWSF-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314472;MM314472;Cc1cc(C)n(O)c(=N)n1;DNLBBPZJIVBVOF-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314473;MM314473;C#CC(C=C)C1CC1(C)N;SLXBTLLQRRYNIG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314474;MM314474;Cc1cc(N)n(O)c(=N)n1;OVZZAADBBJZMML-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314475;MM314475;C#CC(C#N)C1CC1(C)O;RWCATADLALDMHN-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314476;MM314476;COCCCC=CC(N)=O;BWABFIGAMGLXGB-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314477;MM314477;C#CC(C=C)C1CC1(C)F;PSZXPLDCTSZAJV-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314478;MM314478;Cc1nnn(O)c1O;WGVITZYTAKWCJM-UHFFFAOYSA-N;115.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314479;MM314479;C#CC(C=O)C1CC1(C)F;SVCOAPXCBBEAKY-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314480;MM314480;CNn1nc(O)n(C)c1=O;KMFMJRYOZURZFB-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314481;MM314481;C#CC(C#N)C1CC1(C)F;BDYDIHVCCRHATD-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314482;MM314482;N=c1nnc(O)c(F)o1;GXBSKSXWJRWHJB-UHFFFAOYSA-N;131.07;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314483;MM314483;C#CC(C=O)C1CC1(F)F;RZONIFVYZZOYBT-UHFFFAOYSA-N;144.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314484;MM314484;C#CC(F)(C=NO)C=NO;PRUQEUQNRIPWNV-UHFFFAOYSA-N;144.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314485;MM314485;C#CC(C#N)C1CC1(F)F;DUNWAUVACBXCTD-UHFFFAOYSA-N;141.12;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314486;MM314486;ON=c1[nH]n(O)c(=NO)o1;YGZGDQTZZMDXFW-UHFFFAOYSA-N;148.08;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314487;MM314487;COC(=O)CCCCCO;YDJZXHZRXDLCEH-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314488;MM314488;Cc1nc(C)n(C)c(=N)n1;RCSGNLMLEDOQDI-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314489;MM314489;C#CC(C=C)C1OC1(C)C;ASYCUOOMRFDIMG-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314490;MM314490;Cc1nc(N)nc(=N)n1C;FKESAVHCOJHVOO-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314491;MM314491;C#CC(C=O)C1OC1(C)C;NUCGMNYDNSWZCG-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314492;MM314492;Cc1nc(N)n(C)c(=N)n1;DKPWECAAEBFTDJ-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314493;MM314493;C#CC(C#N)C1OC1(C)C;FVORSYDHZPKTHT-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314494;MM314494;Cn1c(N)nc(N)nc1=N;GJWWPFTULOKCAM-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314495;MM314495;C#CC(C=C)N1CC1(C)C;CKUVWTPHGBXNNN-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314496;MM314496;C=CCCCC(C)NC=O;SDEPTAYFZAFGQZ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314497;MM314497;C=CC(=C)CCCCCO;CZOAHCQSXJUJOE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314498;MM314498;CN1C2C(=O)C(=O)CC21C;SIGFDTVUKBPPGW-UHFFFAOYSA-N;139.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314499;MM314499;C=C(C=O)CCCCCO;LAVYCZOQIBVDRK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314500;MM314500;C=Cc1nc(=N)onc1O;GIVNVINNWQVWTQ-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314501;MM314501;C#CC(C#C)C1CC1(C)C;USANMQCFALVPFS-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314502;MM314502;C#CC(CC(=O)O)=NN;KYDNYMRSXUPMRT-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314503;MM314503;C#CC(C#C)C1CC1(C)N;DGUHZVVRPQVEQL-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314504;MM314504;O=C(O)CON=CCCF;MAVXODJDVPLYTO-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314505;MM314505;C=CC(=O)CCCCCO;DGRAVSRENFURII-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314506;MM314506;Cc1[nH]n(N)c(=O)c1F;LNWLTCDTCNHHSE-UHFFFAOYSA-N;131.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314507;MM314507;C#CC(C#C)C1CC1(C)F;HLMUFBYYJIMGJA-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314508;MM314508;Cc1nc(N)nc(=N)n1N;IMLKYNZRCKLNEO-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314509;MM314509;N=c1nc(N)nc(N)n1N;PSZFWZCVSCVZKS-UHFFFAOYSA-N;141.14;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314510;MM314510;C#CC(C#C)C1CC1(F)F;UIADCXBOVJEEIJ-UHFFFAOYSA-N;140.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314511;MM314511;N=c1nn[nH]cc(N)c1=N;HGLHJOGTODJWBZ-UHFFFAOYSA-N;138.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314512;MM314512;C#CC(C#C)C1OC1(C)C;UFWCFKSVMKIFJK-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314513;MM314513;C=CCC(=O)OCC(=O)O;WJFCOJSJSWYSGT-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314514;MM314514;C#CC(C#C)N1CC1(C)C;JOALTIHQQLFIIY-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314515;MM314515;CCC(C=O)C(F)C(=O)O;VFPMWUXTBVICBJ-UHFFFAOYSA-N;148.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314516;MM314516;CC=C(CC)C1CC1(C)C;OCJNZJSQFLTYCB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314517;MM314517;Cc1nc(N)n(O)c(=N)n1;VDKHVIHAGIOBGV-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314518;MM314518;CC=C(CN)C1CC1(C)C;BATRKOHTCMZEOT-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314519;MM314519;C=C(C)C(=O)OCC(=O)O;FPCPOLLWTJARLO-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314520;MM314520;C#CC(=C)CCCCCO;MTFPLPZFTBWCEX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314521;MM314521;C#CC(=C)COCC(=O)O;LMFDXKRQDBIPOE-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314522;MM314522;CC=C(CF)C1CC1(C)C;SQZRVNSWUQACTQ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314523;MM314523;COCOCC(=O)O;YBYUQHCVMYVBLL-UHFFFAOYSA-N;120.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314524;MM314524;CC=C(CC)C1CC1(C)N;MOBZYKCAHBVKJF-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314525;MM314525;O=C(O)COCCO;VDNMIIDPBBCMTM-UHFFFAOYSA-N;120.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314526;MM314526;CC=C(CN)C1CC1(C)N;KSTIPGAXFJIGGD-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314527;MM314527;NN=c1cc[nH]nnc1=O;LNTHRDKQDFFENM-UHFFFAOYSA-N;139.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314528;MM314528;CC=C(CF)C1CC1(C)N;UDXJBRWXHBTCHA-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314529;MM314529;O=Cc1ncc(O)o1;NSUDCHPWZGVLRO-UHFFFAOYSA-N;113.07;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314530;MM314530;CC1(CCCCCO)CC1;DGENIWAPWVJFQW-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314531;MM314531;Cc1cc(C)c(=N)n(C)c1;JMOAGZFWWWVTBS-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314532;MM314532;CC=C(CN)C1CC1(C)O;XPGULHYEVQWKLF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314533;MM314533;Cc1cc(N)cn(C)c1=N;NKTWRBCYYCALLY-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314534;MM314534;CC=C(CF)C1CC1(C)O;CQQJJMHOBSYFBY-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314535;MM314535;Cc1cc(N)c(=N)n(C)c1;ZYNFFVUWDUIXEI-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314536;MM314536;CC=C(CC)C1CC1(C)F;XKUNHFFRSSJGCL-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314537;MM314537;Cc1cc(F)c(=N)n(C)c1;QLXZSNHOBIPMFD-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314538;MM314538;CC=C(CN)C1CC1(C)F;LULHPZWIJNKGFK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314539;MM314539;Cc1cc(C)c(=N)n(N)c1;HPIWJYOEFHSNGP-UHFFFAOYSA-N;137.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314540;MM314540;CC=C(CF)C1CC1(C)F;SZNICLKONKKVSN-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314541;MM314541;Cc1cc(N)cn(N)c1=N;YDXINTHXCRZQQR-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314542;MM314542;CC=C(CC)C1CC1(F)F;TXSSEECBEZWDCU-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314543;MM314543;Cc1cc(N)c(=N)n(N)c1;YIDNYJGENKLDGM-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314544;MM314544;CC=C(CN)C1CC1(F)F;XMGZDKXFKFWVMH-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314545;MM314545;Cc1cc(O)c(=N)n(N)c1;WXHBWWKGGLMHRK-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314546;MM314546;CC=C(CO)C1CC1(F)F;YAEHSEMRYSCHPM-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314547;MM314547;N=c1c(F)cc(F)cn1N;KQWWXZBCMROKBA-UHFFFAOYSA-N;145.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314548;MM314548;CCC(=NN)C1CC1(C)C;IJNKOIKIGKXLIM-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314549;MM314549;Cc1cc(C)c(=N)n(O)c1;JFWWNULSFBGPPM-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314550;MM314550;C#CCC(C#CCC)CO;GWAKNHWGBCINNH-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314551;MM314551;Cc1cc(N)c(=N)n(O)c1;VCHKBDYXGBCPGV-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314552;MM314552;CC1(C)CC1C(CF)=NN;JOVGZRLLOWMPIS-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314553;MM314553;NN=CCN(N)C(=O)CF;VUYBTZPKKVVYLS-UHFFFAOYSA-N;148.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314554;MM314554;C#CC#CC(CO)C(C)C;STUBGIYZDNGSGP-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314555;MM314555;Cc1nc(O)cn(C)c1=N;DGKYCWCSYLFLBH-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314556;MM314556;CCC(=NO)C1CC1(C)O;CHYZHQLSIQTNMN-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314557;MM314557;CCN=C1CN=C(C=O)N1;SUMZOKBNGDBXOM-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314558;MM314558;CCC(=NN)C1CC1(C)F;IJXVUACWLJVXFV-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314559;MM314559;CC#Cc1[nH]nc(C)c1N;YXTIENHEZQVRMR-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314560;MM314560;CCC(CC)CCCCO;GOJBFVJUMYSMJJ-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314561;MM314561;CNC=CC(N)=O;BEJQXFIGDHSEMT-UHFFFAOYSA-N;100.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314562;MM314562;CC1(F)CC1C(CF)=NN;NZSRQSNHQTWQCE-UHFFFAOYSA-N;148.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314563;MM314563;Cc1cc(C)c(=N)n(C)n1;UWPBVXMLUGEWGW-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314564;MM314564;CN=C(NC)C1CC1(C)C;PORDUPFURHVEHL-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314565;MM314565;Cc1cc(N)c(=N)n(C)n1;BUIAJROZMQZONH-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314566;MM314566;CN=C(NN)C1CC1(C)C;UUUONTZWSHFFFA-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314567;MM314567;Cn1nc(F)cc(N)c1=N;YWRLPUBGBKDHPN-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314568;MM314568;CN=C(NC)C1CC1(C)N;LAGLIGAXMNVAJQ-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314569;MM314569;Cc1cc(N)c(=N)n(N)n1;VCNNNVVPGJFCRB-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314570;MM314570;CN=C(NC)C1CC1(C)O;DVSRXLCOPLVTNG-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314571;MM314571;N=c1c(N)cc(F)nn1N;NNFLUJBNIDJOFY-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314572;MM314572;CN=C(NN)C1CC1(C)O;YHISSEUVPGEXOC-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314573;MM314573;Cc1cc(F)c(=N)n(N)n1;MAOSTPDIXLYVFQ-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314574;MM314574;CN=C(NC)C1CC1(C)F;QXHVPLXWJITEQU-UHFFFAOYSA-N;144.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314575;MM314575;CC1(C)CC1C(N)=O;YBZQRYWKYBZZNT-UHFFFAOYSA-N;113.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314576;MM314576;CN=C(NN)C1CC1(C)F;ICFUXCXOZSBSBM-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314577;MM314577;Cc1nc(C)c(=N)n(C)n1;BBJXRUDODUSRPP-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314578;MM314578;CCC(CF)CCCCO;PSIQMXQVMKLJKE-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314579;MM314579;Cc1nc(C)c(=N)n(N)n1;OBLOVLFXKBYVKF-UHFFFAOYSA-N;139.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314580;MM314580;CC1(F)CC1C(=NO)NO;HXQMRNAXARVMGN-UHFFFAOYSA-N;148.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314581;MM314581;C=c1cc(C)cc(C)c1=C;CHWMEHPZBPHWHA-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314582;MM314582;CC=C(OC)C1CC1(C)C;HTIUTPDJPBKAMG-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314583;MM314583;C=c1cc(F)cc(C)c1=C;RKYQYCXYJPPQCH-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314584;MM314584;COC(=CF)C1CC1(C)C;YCJRNCLWGJWBBN-UHFFFAOYSA-N;144.19;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314585;MM314585;C=c1cc(C)cc(F)c1=C;YGKLTXZFZHPPCY-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314586;MM314586;COC(=CF)C1CC1(C)N;WWLPDSHCGKCRMV-UHFFFAOYSA-N;145.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314587;MM314587;C=c1cc(F)cc(F)c1=C;JXWFAVBMNZPQKA-UHFFFAOYSA-N;140.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314588;MM314588;CC=C(OC)C1CC1(C)O;QIWRHXQDKICABI-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314589;MM314589;Cc1cc(O)cc(N)c1F;RDBOCDLPLNIIRC-UHFFFAOYSA-N;141.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314590;MM314590;CC=C(OC)C1CC1(C)F;YZSUBTNCVWLJOI-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314591;MM314591;Cc1cc(=O)cc(C)n1C;KXVUMEAPZKTOCS-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314592;MM314592;COC(=CF)C1CC1(C)F;AJDLTDMAWPHXPU-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314593;MM314593;Cc1cc(=O)cc(N)n1C;YRPWZTMKZDIRQW-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314594;MM314594;Cc1cc(=O)cc(O)n1C;RFWHKLRIMJXCMZ-UHFFFAOYSA-N;139.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314595;MM314595;CC=C(OC)C1CC1(F)F;CAXIZRNJFDGUDA-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314596;MM314596;Cc1cc(=O)cc(F)n1C;IDUDKLFZJVNVDC-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314597;MM314597;COC(=NO)C1CC1(C)C;VAKDEQIRYQMOOZ-UHFFFAOYSA-N;143.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314598;MM314598;Cn1c(N)cc(=O)cc1N;DKBLWWNXNCMHFG-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314599;MM314599;CC=C(CN)C1NC1(C)C;QDGMHMHXLZOBJH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314600;MM314600;Cn1c(N)cc(=O)cc1F;LJWHZAHRVVUDCR-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314601;MM314601;CCC(=NN)C1NC1(C)C;FBVQLJFMMHOXGO-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314602;MM314602;Cn1c(F)cc(=O)cc1F;MOOVCCDHBIACSX-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314603;MM314603;CCC(CCCCO)OC;XRGLCUQQGLRIPH-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314604;MM314604;Cc1cc(=O)cc(N)n1N;BVIZHMNZVKTAOW-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314605;MM314605;C=CC(CC)CCCCO;YFMJVABPLBEGRF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314606;MM314606;Cc1cc(=O)cc(F)n1N;IBAOSOWXTRJLSB-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314607;MM314607;CN=C(NC)C1NC1(C)C;HZZDBMYBURWGOB-UHFFFAOYSA-N;141.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314608;MM314608;Nc1cc(=O)cc(F)n1N;MXQPUOCGMLFMOL-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314609;MM314609;CN=C(NN)C1NC1(C)C;NKICVYLVHVJYBS-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314610;MM314610;Cc1cc(=O)cc(C)n1O;ZYEPOGQVHOGRMR-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314611;MM314611;CCC(C=O)CCCCO;QTWCZJVXGCDQCT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314612;MM314612;Cc1cc(=O)cc(N)n1O;IOSRRNDAGVZPDR-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314613;MM314613;CCC(C#N)CCCCO;NHPDWKBMFOYWPO-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314614;MM314614;Nc1cc(=O)cc(N)n1O;RWDWEIUVPUAESO-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314615;MM314615;CC=C(OC)C1NC1(C)C;KERKNFFPPOOMMC-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314616;MM314616;Nc1cc(=O)cc(F)n1O;VYUHDUHIPLOXRO-UHFFFAOYSA-N;144.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314617;MM314617;COC(=CF)C1NC1(C)C;VZNFYVLHVZUVJJ-UHFFFAOYSA-N;145.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314618;MM314618;O=c1cc(F)n(O)c(F)c1;CARQHURJCJKATC-UHFFFAOYSA-N;147.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314619;MM314619;CC=C(CC)C1OC1(C)C;UOBKCPXWTMOFPV-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314620;MM314620;Cc1cc(=N)nc(C)n1C;ZMVFQDUXCTWWQL-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314621;MM314621;CC=C(CN)C1OC1(C)C;MRHBTTHNDUFBEQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314622;MM314622;Cc1cc(=O)nc(C)n1C;VCNNVPVMGXHYPW-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314623;MM314623;CC=C(CO)C1OC1(C)C;LNFJZDIAJPHNOE-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314624;MM314624;Cc1cc(=N)nc(N)n1C;GZLQSGPKXOEMRM-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314625;MM314625;C=C(C)CCNC=O;ZMECEQAWGNFKJQ-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314626;MM314626;CC=C(CF)C1OC1(C)C;WGQHQYGSZVHRPA-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314627;MM314627;CC(C(=O)O)C(C=O)=NO;ZHEWRXIBESBSFG-UHFFFAOYSA-N;145.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314628;MM314628;CCC(=NN)C1OC1(C)C;VQXVWIKAQWEQFA-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314629;MM314629;Cc1nc(=N)cc(N)n1C;FFZZIDRCOKWOQP-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314630;MM314630;C=CC(CO)CCCCO;FKRFWRMGCSEJQS-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314631;MM314631;Cc1nc(=O)cc(N)n1C;CFSSCBSUEQNFQW-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314632;MM314632;CC1(C)OC1C(=NO)NN;HLUYVCVOADANPE-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314633;MM314633;Cn1c(N)cc(=N)nc1N;YWAIDTWYKNMKFF-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314634;MM314634;CC=C(OC)C1OC1(C)C;KDYXZFODEKXSPP-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314635;MM314635;CCCC(C)NC=O;IHZXGJVLQCGKCB-UHFFFAOYSA-N;115.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314636;MM314636;CCC(=NC)N1CC1(C)C;DKDFZVCFKQLFJD-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314637;MM314637;CNn1nnc(O)c1O;RYGZGSFDAHGYGT-UHFFFAOYSA-N;130.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314638;MM314638;C=CC(CF)CCCCO;VXWOIFDGGBWLGM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314639;MM314639;Nn1nnc(CO)c1O;UPDHFMYCQPGBGI-UHFFFAOYSA-N;130.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314640;MM314640;CN=C(CN)N1CC1(C)C;OKSFGFJYIHTPIN-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314641;MM314641;N#CC1=NC(=CO)C=C1;PVNKSPPYSLQLOQ-UHFFFAOYSA-N;120.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314642;MM314642;CN=C(CO)N1CC1(C)C;WWPKDGJQEVWZPI-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314643;MM314643;Cc1nc(=O)cc(F)n1C;IUBCLNVKODUYBX-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314644;MM314644;CC1(C)CN1C(CO)=NO;HSHUGFWQTCQKOK-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314645;MM314645;Cn1c(F)cc(=N)nc1N;AODWXECRDUCMFK-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314646;MM314646;CN=C(CF)N1CC1(C)C;QTBIGKUSYIAHGD-UHFFFAOYSA-N;144.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314647;MM314647;CCC1CC1C(N)=O;VZOQNXFIGBRGDD-UHFFFAOYSA-N;113.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314648;MM314648;CN=C(NC)N1CC1(C)C;SLCRZABAQYZKLN-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314649;MM314649;Nc1nc(=O)c(=O)[nH][nH]1;ULVGUWOZUWSDDU-UHFFFAOYSA-N;128.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314650;MM314650;CNC(=NN)N1CC1(C)C;FTVTYAPPJFFNKI-UHFFFAOYSA-N;142.21;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314651;MM314651;O=c1o[nH]c(=NN2CC2)o1;LQWQLVCEADJYKR-UHFFFAOYSA-N;143.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314652;MM314652;CN=C(NN)N1CC1(C)C;FTVTYAPPJFFNKI-UHFFFAOYSA-N;142.21;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314653;MM314653;Cc1cc(=N)nc(C)n1N;SYISJJQNTASOJR-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314654;MM314654;Cc1cc(=O)nc(C)n1N;VLVZYRMSEHJWEY-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314655;MM314655;CC1(C)CN1C(=NN)NN;VJNYFCQUDPBHSY-UHFFFAOYSA-N;143.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314656;MM314656;Cc1cc(=N)nc(N)n1N;LFRWVADSBAASOM-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314657;MM314657;CN=C(NO)N1CC1(C)C;UAMQEXUSZYCGDR-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314658;MM314658;CC1C(C)C1C(N)=O;IDBOZJGFRCKBGY-UHFFFAOYSA-N;113.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314659;MM314659;C=CC(CCCCO)OC;LNDYBQILODQJPL-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314660;MM314660;Cc1nn(C=N)nc1O;KDTPQFIRKIGLAA-UHFFFAOYSA-N;126.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314661;MM314661;CC1C(CN)CCC1(C)C;QLRZVGHDVMTRSU-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314662;MM314662;Cc1nc(=N)cc(N)n1N;YLXZIWVIEGQJBD-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314663;MM314663;C#CC(CC)CCCCO;QWPMKCDSKATSSI-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314664;MM314664;Cc1nc(=O)cc(N)n1N;JQDONYSWHISWKB-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314665;MM314665;CC1C(CN)CCC1(C)N;CTLLPPKEULJMMA-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314666;MM314666;N=c1cc(N)n(N)c(N)n1;MAZQCHFCJGUJBP-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314667;MM314667;C#CC(CF)CCCCO;MONLLJAORJUSDX-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314668;MM314668;CC=CCCNC=O;GGWQDFWGGMREGH-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314669;MM314669;CCC1NCC(C)(C)C1C;GVAIFIOKXVAULE-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314670;MM314670;OC=C1C=NC(O)=C1;KJKNMZYMKDGNHI-UHFFFAOYSA-N;111.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314671;MM314671;CCC1NCC(C)(N)C1C;JEQSARFIRXBZCF-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314672;MM314672;CC1=C(O)N=CC1=CO;ODPTZOBFNVLSGQ-UHFFFAOYSA-N;125.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314673;MM314673;CC1C(CO)CNC1(C)C;APFVBSUAEYWKPF-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314674;MM314674;N=c1nc(O)on1O;WMIDUIWCHJWYPH-UHFFFAOYSA-N;117.06;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314675;MM314675;Cc1nc(=O)cc(F)n1N;PLDGIAWKGHLXLD-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314676;MM314676;CC1C(CO)COC1(C)C;FTDZISKEGFFNRN-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314677;MM314677;N=c1cc(F)n(N)c(N)n1;RFWDZSCPWQQWPC-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314678;MM314678;C=CC1CCC(C)(C)C1C;ILXGEMZWEJPJPA-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314679;MM314679;CC(C(N)=O)C1CC1;DEBJDLHESNGTQT-UHFFFAOYSA-N;113.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314680;MM314680;C#CC1CCC(C)(F)C1C;AHMQVKHFXSELPB-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314681;MM314681;O=CC1(F)CC1C(=O)O;GKWCDIPRTLNMPA-UHFFFAOYSA-N;132.09;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314682;MM314682;C=C1C(CC)CCC1(C)N;IUISAVURPIAPBN-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314683;MM314683;O=CC1(C=O)CC1C(=O)O;HHZXCFAGQRSVOJ-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314684;MM314684;C=C1C(CC)CNC1(C)C;MEDNHCFGGLUXOV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314685;MM314685;Cc1cc(=N)nc(C)n1O;FOGHJTMNWJCABG-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314686;MM314686;C=CC1CCC(C)(C)C1=C;YDSCDBWFOKAAJP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314687;MM314687;Cc1cc(=O)nc(C)n1O;RVCHWPRPNFOSPE-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314688;MM314688;C=C1C(C#N)CCC1(C)C;UBSHFWLUIOVIRY-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314689;MM314689;Cc1cc(=N)nc(N)n1O;HWINALCVQXUVSU-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314690;MM314690;C=CC1NCC(C)(N)C1=C;WICIBEOWSQSJFU-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314691;MM314691;CN1C(CC=O)C1(C)C;GGWSLMXCDZIQNU-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314692;MM314692;C=CC1COC(C)(C)C1=C;NMRQZBVBDRCBKS-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314693;MM314693;CCC(C)(OC=O)C(=O)O;PPGKABOXBBPNHP-UHFFFAOYSA-N;146.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314694;MM314694;CNC(=O)COCC(=O)O;OINPPNBEUXMDDT-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314695;MM314695;C#CC1CCC(C)(C)C1=C;ZPGZBNXBCLPSBI-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314696;MM314696;Cc1nc(=N)cc(N)n1O;VMGYCRJKSPOUFC-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314697;MM314697;C#CC1NCC(C)(C)C1=C;HCFNMJWROGHEBY-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314698;MM314698;Cc1nc(=O)cc(N)n1O;KGGAEOOCRXSDNR-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314699;MM314699;C#CC1CNC(C)(C)C1=C;ILTMTULCTGJYNC-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314700;MM314700;N=c1cc(N)n(O)c(N)n1;IEVHJYMFQDJCIU-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314701;MM314701;C#CC1COC(C)(C)C1=C;QVUBABLEBUMFGG-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314702;MM314702;C=CC=CC(=C)C(N)=O;UOZWRPFGCCTZLO-UHFFFAOYSA-N;123.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314703;MM314703;CC=C1CCC(C)(C)C1C;HHGIKGDMNVTAEN-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314704;MM314704;COc1onc(F)c1O;HVYWZLJMDHPFSY-UHFFFAOYSA-N;133.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314705;MM314705;CC=C1CCC(C)(N)C1C;AUERXXGKXAPRRR-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314706;MM314706;C=COC(C)C(C#N)=NO;VVIIVYCGUATCJI-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314707;MM314707;CN=C1NCC(C)(C)C1C;BYVRIFQRDNUJDO-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314708;MM314708;C#CCNN=CC(=O)O;CKIWMFWGMLDEPB-UHFFFAOYSA-N;126.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314709;MM314709;C=CC(C=C)CCCCO;MMKIGAZJKVYVHB-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314710;MM314710;C=C(C(=O)O)C(CF)=NO;LEPTZUZUMXQSOC-UHFFFAOYSA-N;147.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314711;MM314711;C=C1C(=NN)CCC1(C)C;IDVQXCQHQAIRJY-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314712;MM314712;C#CC(C)(C)CCC(N)=O;LKSRJTICQCRAAE-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314713;MM314713;C=CC(C=O)CCCCO;DGQFGLZQHZQHNG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314714;MM314714;Cc1nc(=O)cc(F)n1O;BQTAOOWKZCPUSW-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314715;MM314715;CNC(=O)CC(C)C(C)C;ORBDQINKMRLBAY-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314716;MM314716;C=C1C(=NC)NCC1(C)C;QISCSPBFSGIQNT-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314717;MM314717;O=CC=NNCC(=O)O;DRNDZFONTVOXLU-UHFFFAOYSA-N;130.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314718;MM314718;C=C1C(NN)=NCC1(C)C;PAGIYMMQLDJTMF-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314719;MM314719;Cc1nc(=O)nc(C)n1C;SPDXEZHMEKBFHN-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314720;MM314720;C=C1C(=CF)CNC1(C)C;PJXWRLIEDSYXLF-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314721;MM314721;C=C(C)CN(N)C(=O)CF;QQHUNMFOCWOGDT-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314722;MM314722;C=C1C(=NC)NNC1(C)C;VOKZSMXMJPXMDH-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314723;MM314723;Nn1nc(O)c(O)c1F;NPSIZBCUETWGCB-UHFFFAOYSA-N;133.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314724;MM314724;CC1C(CN)C=CC1(C)C;LYQAMXYYVSORDS-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314725;MM314725;Cn1c(N)nc(=N)nc1N;GJWWPFTULOKCAM-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314726;MM314726;CC1C(CF)C=CC1(C)C;GAIBNWVEXYZOCM-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314727;MM314727;CC(CCCCO)C(N)=O;VASYBUKEQYKKBR-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314728;MM314728;CC1C(CO)C=CC1(C)N;DOVZYLZPJJVZRU-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314729;MM314729;C#CC=NOCCC(=O)O;OGPLFXQQFWYQEM-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314730;MM314730;CC1C(C=O)C=CC1(C)C;KZJRFBRNPFJHFJ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314731;MM314731;Cc1nc(=O)nc(C)n1N;LTYMTXPWASRIMR-UHFFFAOYSA-N;140.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314732;MM314732;C=CC1C=CC(C)(N)C1C;CSUVLVLTAUFUSN-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314733;MM314733;C=C(CO)N=C(N)C(=O)O;XVVXQWGOMLNEOH-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314734;MM314734;C#CC(C=C)CCCCO;SXIQIKGAIQXCDW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314735;MM314735;CC(CCO)C(C)C(N)=O;XPDXSINFNGETNE-UHFFFAOYSA-N;145.2;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314736;MM314736;C#CC1C=CC(C)(C)C1C;QYBQRMAWFDONDR-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314737;MM314737;CC=NOCOCC(=O)O;VVUMMHHGFSSOLM-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314738;MM314738;C#CC1C=CC(C)(N)C1C;CLBMYONCWVWFND-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314739;MM314739;Cc1cn(C)c(N)nc1=O;NVRPWVRHDGMBJC-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314740;MM314740;Cc1nc(=O)nc(C)n1O;ATAKVKLUZBACDJ-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314741;MM314741;C=C1C(CN)C=CC1(C)C;IAVLSMLDDRCQJH-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314742;MM314742;Cc1nc(=O)nc(N)n1O;IYBQEEOJAZQJDP-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314743;MM314743;C=C1C(CC)C=CC1(C)N;GPERBFFGVKAWEF-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314744;MM314744;COC(C=NN)C(=O)O;RCKLYPQAEULISB-UHFFFAOYSA-N;132.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314745;MM314745;C=C1C(CN)C=CC1(C)N;HTVQWCNTSOJHCP-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314746;MM314746;Nc1nc(=O)nc(N)n1O;GYRYHLXQMKSKNZ-UHFFFAOYSA-N;143.11;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314747;MM314747;C=C1C(CO)C=CC1(C)N;LWOYXTJLJPXHPQ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314748;MM314748;NC(COCC(=O)O)=NO;IUDBEUJRPCQQGQ-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314749;MM314749;C#CC(C#C)CCCCO;XTLSDGPVSGJNHQ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314750;MM314750;NN(C=NO)CC(=O)O;DWUGEYGHETYPJP-UHFFFAOYSA-N;133.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314751;MM314751;C=C1C(CN)C=CC1(C)O;CGTJNZDKBVBRRW-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314752;MM314752;C#CC(=O)CC(C)C(=O)O;VALFRHYWIKZEGB-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314753;MM314753;C=CC1C=CC(C)(C)C1=C;XSZIORDITQKNBA-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314754;MM314754;Cc1cn(O)cc(C)c1=O;BKMPDXRJIOYVBE-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314755;MM314755;C=C1C(C#N)C=CC1(C)C;YKKPMWCWCIWECZ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314756;MM314756;Cc1cn(C)cc(N)c1=O;BZBFRDPTVPKUMR-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314757;MM314757;C=C1N(C=N)C=CC1(C)C;GBJYUTWRQCRZEM-UHFFFAOYSA-N;136.2;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314758;MM314758;Cc1cn(N)cc(N)c1=O;HBELCRNNVCEGIQ-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314759;MM314759;C=C1N(C=O)C=CC1(C)C;GAKGLRZCDBCLSL-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314760;MM314760;CCC(CC)CC(=O)NC;UXZIMJXUYRGMGY-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314761;MM314761;Cc1cn(O)cc(O)c1=O;QGBIRZAXXJQYSM-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314762;MM314762;C=C1N(C=N)N=CC1(C)C;HRZIRYPKPGWGBW-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314763;MM314763;Cc1cn(C)cc(F)c1=O;YBALXMHPVZHDKC-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314764;MM314764;C#CC1C=CC(C)(C)C1=C;XGSFUUMDMOJPHK-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314765;MM314765;Cc1cn(N)cc(F)c1=O;AETKXMFWICTRHL-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314766;MM314766;C#CC1C=CC(C)(N)C1=C;RFRYHKNPBPMHRM-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314767;MM314767;Cn1cc(N)c(=O)c(N)c1;CDVAARAJNMMFQF-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314768;MM314768;C=CCC#CC(C=C)CO;FMCATCHGUHJENX-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314769;MM314769;Nc1cn(O)cc(N)c1=O;AKURZPRBPRBRCR-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314770;MM314770;CC1C(=NN)C=CC1(C)C;ZXZICJNPLNGZQR-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314771;MM314771;Cn1cc(N)c(=O)c(O)c1;SSFAXLXDUJOHCF-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314772;MM314772;CCC1(CCCCO)CC1;KLWJIJCLIHMNQA-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314773;MM314773;CN(NCC#N)C(=O)CF;VYFFUAFIYBOXKS-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314774;MM314774;C=C1C(=CF)C=CC1(C)C;WZQJMYNTVIQHRJ-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314775;MM314775;Cn1cc(N)c(=O)c(F)c1;RQGZWCSUTPYDQH-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314776;MM314776;C=C1C(=CF)C=CC1(C)N;RLAROQFYFDYKRB-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314777;MM314777;Nc1cn(N)cc(F)c1=O;GVXPMCWGMLRFAT-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314778;MM314778;C=C1C(=NO)C=CC1(C)N;YOYPPRFLGSABBY-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314779;MM314779;Nn1cc(O)c(=O)c(F)c1;SISQTKMOQMTIBZ-UHFFFAOYSA-N;144.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314780;MM314780;CC1C(CN)=CCC1(C)C;MZOCJNVXNSOJOR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314781;MM314781;O=c1c(O)cn(O)cc1F;SOIKGUAGEZWJRY-UHFFFAOYSA-N;145.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314782;MM314782;OCCCCC1(CF)CC1;ZTZPMMVZICOPLB-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314783;MM314783;Cn1cc(F)c(=O)c(F)c1;UHRWUCQKWNRFLZ-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314784;MM314784;CCC1=CCC(C)(N)C1C;BPNVEJPTNCEINL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314785;MM314785;Nn1cc(F)c(=O)c(F)c1;WDESJGXEYUBKHR-UHFFFAOYSA-N;146.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314786;MM314786;CC1C(CN)=CCC1(C)N;LKQKNIALGKKHRX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314787;MM314787;Nn1cc(F)c(=O)c(F)n1;HOUGPDIDJUMCTP-UHFFFAOYSA-N;147.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314788;MM314788;CC1C(CO)=CCC1(C)N;PSQZWSRLYQFLDZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314789;MM314789;Cc1nn(C)nc(F)c1=O;ZWKZFMASRJZERS-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314790;MM314790;CC1C(CN)=COC1(C)C;VPKFFQQCPOREHU-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314791;MM314791;C=c1cc(C)c(=C)c(F)c1;VHAKJUFZBUOALY-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314792;MM314792;Cc1[nH]c(=O)oc(=O)c1C;CTDMVKXECCUFNH-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314793;MM314793;C=CC1=CCC(C)(C)C1C;NJPTULCHWFCACL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314794;MM314794;Cc1c(N)[nH]c(=N)oc1=O;CUMURZJOVHDMOB-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314795;MM314795;CC1C(C#N)=CCC1(C)C;MNLGFSDHKZMNHJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314796;MM314796;Cn1nc(O)[nH]c1=O;NENDRBATLNDSTO-UHFFFAOYSA-N;115.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314797;MM314797;C=CC1=CCC(C)(N)C1C;PQUJGZBDFBYGRS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314798;MM314798;C=COC(=C)C(O)C(=O)O;RSSRRZHJMLOMPD-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314799;MM314799;CC1C(C#N)=CNC1(C)C;XCCNEZCUWASTHI-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314800;MM314800;CC#CCOCC(=O)O;WLAFCXDXBMJQDU-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314801;MM314801;C=CC1=COC(C)(C)C1C;HZWTVRWDLLVOLU-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314802;MM314802;N=c1[nH]c(N)c(N)c(=O)o1;LBZUHMBQSHHSBW-UHFFFAOYSA-N;142.12;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314803;MM314803;C=CC1=NCC(C)(C)N1C;ZVGHBGDEXYLJOK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314804;MM314804;O=CC1(O)CC1C(=O)O;BQFWWGLXQAFNHC-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314805;MM314805;C#CC1=CCC(C)(C)C1C;ZWCSCIZNTCVVAJ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314806;MM314806;C=CC(O)C(O)C(=O)O;CTDSCESRMWRTFJ-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314807;MM314807;C#CC1=CCC(C)(N)C1C;BKEALOXLORZMPD-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314808;MM314808;O=C(O)C1C(O)C1O;FCOYJLRFWKRZJY-UHFFFAOYSA-N;118.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314809;MM314809;C#CC1=NNC(C)(C)C1C;MVKNBTHYUKXLDG-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314810;MM314810;O=C(O)CC#CC(F)CO;GHWDUYKWHYXPBV-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314811;MM314811;C#CC1=COC(C)(C)C1C;QVRXJUPTMPJTLT-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314812;MM314812;CONC(=O)C(O)CO;ANJXWHGSCLATJX-UHFFFAOYSA-N;135.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314813;MM314813;OCCCCC1(CF)CN1;KLTOAGJZXJJVPV-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314814;MM314814;NN=C(CC=CF)C(=O)O;MIOAOYVNRQZGIP-UHFFFAOYSA-N;146.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314815;MM314815;C=C1C(C=O)=CCC1(C)C;AVIMEXHYODNUII-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314816;MM314816;CC(=NNCC=O)C(=O)O;PKVSIICQXRVMEZ-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314817;MM314817;C=C1C(C#N)=CCC1(C)C;FOIGGUJXHJXLCY-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314818;MM314818;Cn1nc(O)c(F)c1F;AYCHGUFFOZEFGV-UHFFFAOYSA-N;134.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314819;MM314819;C=CC1=CCC(C)(N)C1=C;PAOIHUWNVGNQSP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314820;MM314820;NN=CC(=O)O;VSZYPVDJXWAGLA-UHFFFAOYSA-N;88.07;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314821;MM314821;C=C1C(C=O)=CNC1(C)C;UJIHNVCWBSDSGH-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314822;MM314822;CC(=NO)N(O)CC(=O)O;KGIXSMANSIOJMM-UHFFFAOYSA-N;148.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314823;MM314823;C=C1C(C#N)=CNC1(C)C;YVTAJLZLKAHYHH-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314824;MM314824;NN(CC=CF)C(=O)CF;MKPGAGVACGBEBM-UHFFFAOYSA-N;150.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314825;MM314825;CCC1(CCCCO)CO1;MUHPIDZFNXOSPO-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314826;MM314826;Cc1[nH]c(=N)oc(=N)c1C;XCEILCBLBZEXJB-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314827;MM314827;C=CC1(CCCCO)CC1;GPHOBRORIXIQKV-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314828;MM314828;Cc1[nH]c(=O)oc(=N)c1C;MKHTVCJDTINQEC-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314829;MM314829;C=C1C(C=O)=COC1(C)C;UYFFHWLJFXAIKH-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314830;MM314830;C=CCC(C=C)CNC=O;VQNLMSPBFWMXNN-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314831;MM314831;C=C1C(C#N)=COC1(C)C;SZFIHNHOUFQYRZ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314832;MM314832;Cc1cc(N)cc(N)c1F;QTJBEZWKLRXARU-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314833;MM314833;C=CC1=NOC(C)(C)C1=C;ISTATNZVFPZSNM-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314834;MM314834;CCCC1CC2CC2(F)C1;YBLUFUOOUCHHDA-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314835;MM314835;C=C1C(C=O)=NOC1(C)C;IYNVPFWEOPJLDR-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314836;MM314836;CCCC1CC2(C)CC2N1;GPXKSSONNGTOCB-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314837;MM314837;C#CC1=CCC(C)(C)C1=C;IZQVGKVWQNNINU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314838;MM314838;CCCC1CC2(N)CC2N1;LEMDONXSXIDSAL-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314839;MM314839;C#CC1=CCC(C)(N)C1=C;KTAHMQROTJBLBL-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314840;MM314840;CCCC1CC2(O)CC2N1;FXEGNKXGFLRJRW-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314841;MM314841;O=CC1(CCCCO)CC1;JGXVYIJDWQZOFP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314842;MM314842;C=CCC1CC2CC2(C)C1;ONCNBHBQPHUJDJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314843;MM314843;C#CC1=NNC(C)(C)C1=C;MIIOOBIAYBASSA-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314844;MM314844;CC12CC(CC#N)CC1C2;TYOWEONDWPWIBP-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314845;MM314845;C#CC1=COC(C)(C)C1=C;LPRRWNRJKWMZRO-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314846;MM314846;NN=C(NN)C(F)C=CF;TXELONNJYONLPO-UHFFFAOYSA-N;150.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314847;MM314847;C#CC1=NOC(C)(C)C1=C;MROWSVRJQZINLT-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314848;MM314848;C#Cc1cc(N)c(C#C)[nH]1;IWDAYFNKVBSDRR-UHFFFAOYSA-N;130.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314849;MM314849;CCC1=C(C)C(C)(C)CC1;ABENJKRLLMOTIH-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314850;MM314850;C=CCC1CC2CC2(F)C1;AEWWYCNWIJCFRE-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314851;MM314851;CC1=C(CN)CCC1(C)C;VAVDFXSVQBFSKJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314852;MM314852;N#CCC1CC2CC2(F)C1;IPPLTXXUAOPKIL-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314853;MM314853;N#CC1(CCCCO)CN1;SBUGAAKXIWYASB-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314854;MM314854;CC12CC(NC=N)CC1C2;GEBIOSMJZPSEFO-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314855;MM314855;CCC1=C(C)C(C)(N)CC1;FMEIOVGYQWFLEI-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314856;MM314856;C=CCC1CC2(C)CC2N1;JKFIFLQRJIELAT-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314857;MM314857;CC1=C(CN)CCC1(C)N;WDQCSGRLQLXGPB-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314858;MM314858;CC12CC(CC#N)NC1C2;CCEJABDSIZRRCW-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314859;MM314859;CC1=C(CO)CCC1(C)O;KILKFQGVWJWKCQ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314860;MM314860;C=CCC1CC2(N)CC2N1;VOHQCCLSVARYDV-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314861;MM314861;COC1=C(C)C(C)(C)CC1;NKFBQDKAUHLJNG-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314862;MM314862;C=CCC1CC2(O)CC2N1;IKIWUHOIEGZTSR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314863;MM314863;CCC1=C(C)C(C)(C)CO1;SPGLFOSKYVRIJV-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314864;MM314864;C=CCC1CC2CC2(C)N1;KPSUWGYEHJNECQ-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314865;MM314865;CCC1=C(C)C(C)(O)CO1;FVBTVPVKIIPETG-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314866;MM314866;CC12CC1CC(CC#N)N2;AZFKKUAMZQHFQS-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314867;MM314867;CCC1=C(C)C(C)(C)NC1;CCBNWTHWFOCJTP-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314868;MM314868;CC12CC1CN(CC#N)C2;BRIDJUZXEAWWGX-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314869;MM314869;CC1=C(CN)CNC1(C)C;SQCZJRLGTBSOJZ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314870;MM314870;CC12CC(CC#N)CC1O2;ZMSNGXUNZFQBIZ-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314871;MM314871;CC1=C(CF)CNC1(C)C;OZYSGFARZDDQCV-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314872;MM314872;CC12CC(CC#N)CN1C2;QKSQDLVYQNVTDK-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314873;MM314873;COC1=C(C)C(C)(C)NC1;LPEJLYFYFYMGPV-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314874;MM314874;C#CCC1CC2CC2(N)C1;RMBMGSLBNYJQKE-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314875;MM314875;CCC1=C(C)C(C)(C)OC1;QQGYUAIYRWDLFR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314876;MM314876;CNc1noc(C=O)c1C;BWOYPZIGMMZQFM-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314877;MM314877;CC1=C(CN)COC1(C)C;QESYJVVWMKTWDQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314878;MM314878;C#CCC1CC2(N)CC2N1;RXTNDJHZDJDVPK-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314879;MM314879;C=CC1=C(C)C(C)(C)CC1;ZVQMUXNLYBDLKI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314880;MM314880;C#CCC1CC2(O)CC2N1;LHVCKTRDXYLFMS-UHFFFAOYSA-N;137.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314881;MM314881;CC1=C(C=O)CCC1(C)C;KPZUGSAHKULJLD-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314882;MM314882;C#CCC1CC2(C)CC2O1;IIJAQGNLVFMSIB-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314883;MM314883;CC1=C(C#N)CCC1(C)C;IMAJHCQRVPXSIN-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314885;MM314885;C#CCN1CC2CC2(C)C1;RJCZIWUXKWDLPG-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314884;MM314884;C=CC1(CCCCO)CO1;ZCXGZQXBXXTUDH-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314886;MM314886;C=CC1=C(C)C(C)(C)CO1;HKMUBXSIRDGEDE-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314887;MM314887;C#CCN1CC2CC2(N)C1;QXYVSUQDMYLUPX-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314888;MM314888;CC1=C(C#N)OCC1(C)C;QVHAJAHLIZLJOO-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314889;MM314889;CC=CC1CC2CC2(C)N1;RWQHTEXOEYVIDV-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314890;MM314890;C=CC1=C(C)C(C)(N)CO1;ZDWMMSXQIFVIJK-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314891;MM314891;CC=NN1CC2CC2(C)C1;IFCKEVJNBPYVQA-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314892;MM314892;C=CC1=C(C)C(C)(O)CO1;NLYTWNQFNQLZPZ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314893;MM314893;CC#CC1CC2CC2(C)N1;BJKFMIRJUXHORO-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314894;MM314894;C=CC1=C(C)C(C)(C)NC1;BDTXHELCUHSKPA-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314895;MM314895;CCC=C1CC2CC2(C)C1;NSURIMKBMYJVPR-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314896;MM314896;CC1=C(C=O)CNC1(C)C;MWIHLHCCNGSFRE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314897;MM314897;CC12CC(=CCN)CC1C2;SIYSXJPLHSGCSF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314898;MM314898;CC1=C(C=O)COC1(C)C;HMDWEVICWFYIAW-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314899;MM314899;CCC=C1CC2CC2(N)C1;GJIITXHEGYEDLI-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314900;MM314900;CC1=C(C#N)COC1(C)C;NMPUURFDFGUDRJ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314901;MM314901;NCC=C1CC2CC2(N)C1;BJVGVKRDKUORAV-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314902;MM314902;C#CC1=C(C)C(C)(C)CC1;QMXDJRYTWSUWOX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314903;MM314903;CNc1cnc(C=O)nn1;KNPQSIONEXFSIH-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314904;MM314904;C#CC1=C(C)C(C)(N)CC1;AHIWZUOAQPHILJ-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314905;MM314905;NCC=C1CC2CC2(O)C1;YBPUCZFGINYAFV-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314906;MM314906;O=CC1(CCCCO)CO1;SBSUXWBYBSEDHM-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314907;MM314907;CCC=C1CC2CC2(F)C1;ASYDPSUBRRXTDP-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314908;MM314908;C#CC1=C(C)C(C)(C)CO1;XJXDEPLJKNEIPB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314909;MM314909;CCN=C1CC2(N)CC2N1;IWEFVBORZADACQ-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314910;MM314910;C#CC1=C(C)C(C)(N)CO1;RINDDOIOUSXDBZ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314911;MM314911;CC12CC(=CCN)OC1C2;RSWBWNLBHGOUMU-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314912;MM314912;C#CC1=C(C)C(C)(C)NC1;ONYGMSSRRUFXBT-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314913;MM314913;CCC=C1CC2(O)CC2O1;KHPNVJLGUCWGOZ-UHFFFAOYSA-N;140.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314914;MM314914;C#CC1=C(C)C(C)(C)OC1;BUMCPCXZXMERJR-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314915;MM314915;CCC=C1CC2(F)CC2O1;WRSVIKWXQGJDGQ-UHFFFAOYSA-N;142.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314916;MM314916;CCC1=C(C)C(C)(C)C=C1;ZCUFBMHYXHANEK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314917;MM314917;CCC=C1CC2CC2(C)O1;VAWLBMPETFYUKL-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314918;MM314918;CC1=C(CN)C=CC1(C)C;MQRVUWDEBJJQBO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314919;MM314919;CC12CC(=CCN)CC1N2;KJQHNDODVJXMJZ-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314920;MM314920;CCC1=C(C)C(C)(N)C=C1;KGGBSCDQPYPHJQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314921;MM314921;CCC=C1CC2OC2(C)C1;WZKIOHFSPAUPOE-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314922;MM314922;C#CC1(CCCCO)CC1;QJOVEFZVMPHGDI-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314923;MM314923;CC12CC(=CCN)CC1O2;ZRBQSPJKWYFDHW-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314924;MM314924;COC1=C(C)C(C)(C)C=C1;HZJALLRQUREDPQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314925;MM314925;C=CC=C1CC2CC2(C)C1;HIQAKHGUQSBFDI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314926;MM314926;COC1=C(C)C(C)(N)C=C1;OLURZRFCRDXVHZ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314927;MM314927;CC12CC(=CC=O)CC1C2;MXSMNIPOFLQHIJ-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314928;MM314928;C=CC1=C(C)C(C)(C)C=C1;NUNXALSDSOJUOZ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314929;MM314929;CC12CC(=CC#N)CC1C2;WRKZJHGOCBAMMP-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314930;MM314930;CC1=C(C#N)C=CC1(C)C;FJOMXUPJFGLQEN-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314931;MM314931;C=CC=C1CC2CC2(N)C1;VDCBPTBTTDIIMS-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314932;MM314932;C=CC1=C(C)C(C)(N)C=C1;GTDVJLYETJFCQH-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314933;MM314933;C=C(C)C(=C)C(N)=O;XXZINTQEBXTLCQ-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314934;MM314934;C=CC1=CC(CO)=CC1=C;OSZXGBQOSRLHMV-UHFFFAOYSA-N;134.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314935;MM314935;CCC(=CN)C(N)=O;ABLGLDYVVIYXHJ-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314936;MM314936;CC1=C(C#N)C=CC1(C)O;RAPDQGXKMLQZSB-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314937;MM314937;C=CCCCNC=O;GOBMXTCBGRXJOT-UHFFFAOYSA-N;113.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314938;MM314938;C=CC1=C(C)C(C)(F)C=C1;SIFIIVXOODFUHB-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314939;MM314939;C=CC=C1CC2CC2(F)C1;ZVURVPAWRDIQHT-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314940;MM314940;C#CC1=C(C)C(C)(C)C=C1;ZVRRVWGHTHFQOL-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314941;MM314941;O=CC=C1CC2CC2(F)C1;OVNJJWROVGKWJE-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314942;MM314942;C#CC1=C(C)C(C)(N)C=C1;AOPLSWWBPOJDSO-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314943;MM314943;N#CC=C1CC2CC2(F)C1;PYBCCAHMUOGHAO-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314944;MM314944;C=C1C=C(CO)C=C1C=O;AZJYFSPULTVEND-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314945;MM314945;C=NN=C1CC2CC2(C)C1;WCGFZPLQYFQAHG-UHFFFAOYSA-N;136.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314946;MM314946;C#CC1=C(C)C(C)(F)C=C1;RLWRARWGEUEDMF-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314947;MM314947;CC12CC(=CC=O)NC1C2;JVXXJMCFWMBSFE-UHFFFAOYSA-N;137.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314948;MM314948;CCC1CCC(C)(C)CC1;NFPBAXDIZWHQNT-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314949;MM314949;CC12CC(=CC#N)NC1C2;XEMYCRDQXAZKJN-UHFFFAOYSA-N;134.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314950;MM314950;N#CC12CC(C=O)CC1N2;BBZBVPWHUZSTDF-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314951;MM314951;O=CC=C1CC2(F)CC2N1;JCFQJARDLYGLRX-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314952;MM314952;CC1(F)CCC(CN)CC1;GNJPQBYOICSPGW-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314953;MM314953;CC1(F)CCC(CF)CC1;NVZSPDQKLXJKNS-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314954;MM314954;N#CC=C1CC2(F)CC2N1;DCINNQGOVADWEJ-UHFFFAOYSA-N;138.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314955;MM314955;NCC1CCC(F)(F)CC1;XAAFYIOYLLPWMM-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314956;MM314956;CC12CC(NC=N)=NC1C2;XNBUUFVKBPICFM-UHFFFAOYSA-N;137.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314957;MM314957;C#CC12CC(C=O)CN1C2;HERIBRYYWJRGPE-UHFFFAOYSA-N;135.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314958;MM314958;N=CNC1=NC2CC2(N)C1;XDWRBBITQROSGE-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314959;MM314959;CNC1CCC(C)(C)CC1;DZLKSRBEYWGUNR-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314960;MM314960;C=CC=C1CC2(C)CC2O1;OGFQCPVYHDBBOW-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314961;MM314961;COC1CCC(C)(C)CC1;HICIJRYNCMYDRQ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314962;MM314962;CC12CC(=CC=O)OC1C2;GRKFCHZQVYOCFA-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314963;MM314963;COC1CCC(C)(F)CC1;UKIMURCBUOLFGM-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314964;MM314964;CC12CC(=CC#N)OC1C2;SKAOQAYIMKKYLX-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314965;MM314965;COC1CCC(F)(F)CC1;QYARBUUTMJDWKQ-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314966;MM314966;C=CC=C1CC2(N)CC2O1;CEESAPRPEDKIAW-UHFFFAOYSA-N;137.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314967;MM314967;CC1(N)CCC(CO)NC1;HJTPIVMJJXZJGE-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314968;MM314968;C=CC=C1CC2(O)CC2O1;JYXBQXWEZIFVJX-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314969;MM314969;CC1(F)CCC(CN)NC1;JSAPJUQVYSBAQQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314970;MM314970;N#CC=C1CC2(F)CC2O1;MEZYDFLVSGGOFD-UHFFFAOYSA-N;139.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314971;MM314971;CCC1CCC(C)(N)CO1;GBCQUMLWBCZLJN-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314972;MM314972;CC12CC1CC(=CC=O)N2;BZPAWUKSWRVBBU-UHFFFAOYSA-N;137.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314973;MM314973;CC1(F)CCC(CO)OC1;JWDGZNDQVCJKPN-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314974;MM314974;CC12CC1CC(=CC#N)N2;ZKNYDXNFMHIVPB-UHFFFAOYSA-N;134.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314975;MM314975;CCC1CCC(F)(F)CO1;IHHUZRZYNGHTCX-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314976;MM314976;CC12CC1OC(=CC#N)N2;XYOYEIOUAZYOJY-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314977;MM314977;CCC1OCC(C)(C)CO1;QSHOOPIYPOINNH-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314978;MM314978;C=CC=C1CC2CC2(C)O1;BSOVSRMUMXTCBI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314979;MM314979;CCC1OCC(C)(F)CO1;MNQKTKHDJBQSTE-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314980;MM314980;CC12CC1CC(=CC#N)O2;RBZGQSAHORGRAC-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314981;MM314981;CCC1COC(C)(C)OC1;GBXPJDWSZDRLCZ-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314982;MM314982;CC12CC1NC(=CC#N)O2;SGBQCKBLMBQHBH-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314983;MM314983;CCN1CCC(C)(C)CC1;CKOCKSKIZGOHFG-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314984;MM314984;C=CC=C1CC2OC2(C)C1;RGGILEWJRRGNKC-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314985;MM314985;CC1(F)CCC(C=O)CC1;GQOUJGVMOPZLBV-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314986;MM314986;CC12CC(=CC#N)CC1O2;UBSUXQPIOJYSJP-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314987;MM314987;CC1(C)CCC(C=O)NC1;JVEDYWSDCDIZCC-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314988;MM314988;CC12CC(=CC=O)CN1C2;MDBYACHUJAKKNO-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314989;MM314989;C=CC1CCC(C)(N)CN1;IWLKSRVELRGCTF-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314990;MM314990;CC12CC(=CC#N)CN1C2;VZDCBDAHMTZQFF-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314991;MM314991;C=CC1OCC(C)(C)CO1;QTKAQSUDWKTUTM-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314992;MM314992;C#CC=C1CC2CC2(C)C1;DDKXITTVDIGEOA-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314993;MM314993;CC1(C)COC(C=O)OC1;MOIRUADWXSWMQT-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314994;MM314994;C#CC=C1CC2CC2(N)C1;LEBXQOFDCBGWJY-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314995;MM314995;C=CC1OCC(C)(N)CO1;CTDZATWBKPIBOU-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314996;MM314996;CC(=CCCO)C(C)O;LPAIEAGKVOBGTE-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314997;MM314997;C=CC1OCC(C)(F)CO1;HWHRAEFILZFUTG-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314998;MM314998;C#CC=C1CC2CC2(F)C1;XJSPWJABAUPIDZ-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM314999;MM314999;CC1(F)COC(C=O)OC1;YPLPCEPJYKFFBC-UHFFFAOYSA-N;148.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315000;MM315000;C#CC=C1CC2(C)CC2O1;XIUDPOKNZIYWRR-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315001;MM315001;C=CC1OCC(F)(F)CO1;DMABJSRFMSOKCG-UHFFFAOYSA-N;150.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315002;MM315002;C#CC=C1CC2(N)CC2O1;NNDNNYRDADEWFC-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315003;MM315003;O=CC1OCC(F)(F)CO1;GXUKTEVMJRXWRB-UHFFFAOYSA-N;152.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315004;MM315004;C#CC=C1CC2(F)CC2O1;GBNVWRWXHMAOPW-UHFFFAOYSA-N;138.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315005;MM315005;CC1(C)CCN(C=N)CC1;QDVZMHBHGJCNSM-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315006;MM315006;C#CC=C1CC2CC2(C)O1;BJLZEPZVWVZZIT-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315007;MM315007;CC1(F)CCN(C=N)CC1;SECMJICBQBOETO-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315008;MM315008;C#CC=C1CC2OC2(C)C1;ZCXNJBMITWCWSI-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315009;MM315009;O=CN1CCC(F)(F)CC1;FXYTULXRJSWPDF-UHFFFAOYSA-N;149.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315010;MM315010;CCCC1=CC2CC2(C)C1;PPDWSXHZOPWFBM-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315011;MM315011;C=NN1CCC(C)(C)CC1;CFXKCTUTVPCEKG-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315012;MM315012;CC1(C#N)CC1C1CC1O;JLLBHDOORKJAAF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315013;MM315013;CCCC1=CC2CC2(N)C1;OFFQBZLBBBBEEM-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315014;MM315014;C=NN1CCC(F)(F)CC1;IPBXWCJCUKXBGH-UHFFFAOYSA-N;148.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315015;MM315015;NN(CCF)C(=O)CF;XDQRKXAQEQWYRD-UHFFFAOYSA-N;138.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315016;MM315016;CC1(O)CCN(C=N)NC1;GDIZXLAFRZTOGO-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315017;MM315017;CCCC1=CC2CC2(F)C1;YHXZKNDELFIOMP-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315018;MM315018;CC1CC1CCCCCO;JKYPLQLRRBDRQD-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315019;MM315019;CCCC1=CC2CC2(C)O1;ZAUBLOCAJYHDGM-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315020;MM315020;CC1(O)CCN(C=O)OC1;COYSDIFAKCLXPA-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315021;MM315021;CCCC1=CC2OC2(C)C1;IJPXABNNRPXBNE-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315022;MM315022;CC=C1CCC(C)(C)CC1;BIKILQUIAXAOBS-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315023;MM315023;C=CCC1=CC2CC2(C)C1;HQEGFNCJGWTQTA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315024;MM315024;CC1(C)CCC(=CF)CC1;FSUHXPGOPWGDKC-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315025;MM315025;CC12CC(CC#N)=CC1C2;HXLHPWYNEUQRDU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315026;MM315026;CC=C1CCC(C)(N)CC1;CYNHNJONAFQYCV-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315027;MM315027;C=CCC1=CC2CC2(N)C1;WNWJVXXMVQWDDM-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315028;MM315028;C#CCCN1CC1CC=O;HRZGSWCLIULYKH-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315029;MM315029;NN=Cc1c[nH]c(N)c1;XMKZNSCRIRVOIV-UHFFFAOYSA-N;124.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315030;MM315030;CC=C1CCC(C)(F)CC1;HLHZBTRMZUDZIR-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315031;MM315031;Cc1c(NN)n[nH]c1N;TYZZYUWUTSNVLR-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315032;MM315032;FC=C1CCC(F)(F)CC1;OZCLHVLUVKCEEM-UHFFFAOYSA-N;150.14;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315033;MM315033;C=CCC1=CC2CC2(F)C1;OYQASIKDCONRJB-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315034;MM315034;CC1(C)CCC(=NN)CC1;XATWEZPKTISIRS-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315035;MM315035;N#CCC1=CC2CC2(F)C1;XIFNWHBZPVYGAO-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315036;MM315036;CCOCCCCCCO;GTAZGFNDWFFGKW-UHFFFAOYSA-N;146.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315037;MM315037;CC12CC(NC=N)=CC1C2;MGOZFEQLLFWRMA-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315038;MM315038;CC1(N)CCC(=NO)CC1;FZNJVRNAUSKZKM-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315039;MM315039;N=CNC1=CC2CC2(O)C1;PACUYMQQSWVMMQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315040;MM315040;OCCCCCOCCF;CFMOSDLWUQKWPF-UHFFFAOYSA-N;150.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315041;MM315041;N=CNC1=CC2CC2(F)C1;GCMVXDHZAQFRNR-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315042;MM315042;NN=C1CCC(F)(F)CC1;OFJQXDKVJZJLFX-UHFFFAOYSA-N;148.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315043;MM315043;C=COC1=CC2CC2(C)C1;UUFUJBNBARFTQV-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315044;MM315044;CN=C1CCC(C)(C)CN1;VUOJYXAWZQLCQQ-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315045;MM315045;C=COC1=CC2CC2(N)C1;WJJVLJFKCZVPSJ-UHFFFAOYSA-N;137.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315046;MM315046;CC1(N)CCC(=NO)NC1;ZETHVHKWYROYFZ-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315047;MM315047;C=COC1=CC2CC2(O)C1;GGVYUAJOYSKNMU-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315048;MM315048;NNC1=NCC(F)(F)CC1;UFTIMLKMQYQWKD-UHFFFAOYSA-N;149.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315049;MM315049;C=COC1=CC2CC2(F)C1;HXCNFZFYGGTHOW-UHFFFAOYSA-N;140.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315050;MM315050;CN=C1NCC(C)(N)CN1;FOSQWGXFYMBGQX-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315051;MM315051;C=CNC1=NC2CC2(N)C1;YONVAVYNBMZWAS-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315052;MM315052;CC=C1COC(C)(C)OC1;GSGNGQQICADXJH-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315053;MM315053;C=CNC1=NC2CC2(O)C1;ZTLWPRLCEKPVMT-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315054;MM315054;CC1(C)OCC(=NN)CO1;QQIYESUPXZDSOA-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315055;MM315055;C=CCC1=NC2CC2(C)N1;GLOWCJYLEODANQ-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315056;MM315056;CC1(C)OCC(=NO)CO1;IIOFGWKLNCNLJM-UHFFFAOYSA-N;145.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315057;MM315057;C=CCC1=CC2CC2(C)O1;MSIJDRJMYCKJPV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315058;MM315058;N#CCCCCCCCO;VUNMJFJKZPQZMF-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315059;MM315059;CC12CC1C=C(CC#N)O2;WIYUYGMEFWTDCD-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315060;MM315060;CC1(F)C=CC(CF)CC1;FQTJBFMJBJHBBG-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315061;MM315061;C=COC1=CC2NC2(C)C1;NJFKYGUKVHJIMT-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315062;MM315062;C=CCOCCCCCO;POHJXBUHHVFIEW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315063;MM315063;C=CCC1=CC2OC2(C)C1;REDUHRJIMUWAMU-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315064;MM315064;CNC1C=CC(F)(F)CC1;SVKDVCBRGPZOJJ-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315065;MM315065;CC12CC(CC#N)=CC1O2;SDIHKUQEVMXLSV-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315066;MM315066;CCC1C=CC(C)(C)NC1;CYDCJQIQZCJPKV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315067;MM315067;CC12CC(NC=N)=CC1O2;VUHZQODWRNEXOX-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315068;MM315068;CNC1C=CC(C)(C)NC1;JRVHSNQWRYAZOZ-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315069;MM315069;N=CN1C=CC(F)(F)CC1;FNIKTKVKWZHPPY-UHFFFAOYSA-N;146.14;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315070;MM315070;C=CCC1=NN2CC2(C)C1;SPWDYSUCPUOPEA-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315071;MM315071;O=CN1C=CC(F)(F)CC1;BMJBIBNLYRFCMH-UHFFFAOYSA-N;147.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315072;MM315072;C#CCC(C)(C)CC(N)=O;JICDSTGAMPQUKZ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315073;MM315073;N=CN1CCC(F)(F)C=N1;KHHIYOYZTNIBKD-UHFFFAOYSA-N;147.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315074;MM315074;C=CNC1=NN2CC2(C)C1;COYYLSCETDIQDJ-UHFFFAOYSA-N;137.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315075;MM315075;O=CN1CCC(F)(F)C=N1;AERZOMBKIMDNAY-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315076;MM315076;C#CCC1=CC2CC2(C)C1;OQVJUHYBSNSKDW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315077;MM315077;C#CCOCCCCCO;RNELMEMGAFMUFH-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315078;MM315078;C#CCC1=CC2CC2(N)C1;CVVLMYRQVHOION-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315079;MM315079;C#CC1C=CC(C)(F)CC1;UAZKSNFMRTUHFT-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315080;MM315080;CC(=CCCO)C(C)(C)O;HENUGBFAEZPOQC-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315081;MM315081;COC1=CCC(C)(C)CC1;WDNZMAPNUBPBMI-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315082;MM315082;C#CCC1=CC2CC2(F)C1;ADVONLQSFBNHJU-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315083;MM315083;COC1=CCC(C)(F)CC1;GRCYSTBRGQKISC-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315084;MM315084;C#CCC1=CC2CC2(C)O1;BKBIFEYKGTZERH-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315085;MM315085;CCC1=NCC(C)(N)CN1;PKOPWCFLRZEJGT-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315086;MM315086;C#CCC1=CC2OC2(C)C1;DJMLVHAYISOSEY-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315087;MM315087;CC1(N)CN=C(CN)NC1;RHHLVEMKJYNZBY-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315088;MM315088;C#CCC1=NN2CC2(C)C1;VAVBZIXAAQYXDP-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315089;MM315089;CC1(N)CN=C(CO)NC1;OGULRWZOEICCNY-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315090;MM315090;CC=CC1=CC2CC2(C)C1;QIXVQAFQWKYFPY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315091;MM315091;CNC1=NCC(C)(O)CN1;QEOFQTRZQWXDRD-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315092;MM315092;CC=CC1=CC2CC2(N)C1;PHAUBSUNPKVPFP-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315093;MM315093;COC1=COC(C)(C)OC1;GQVIIRWGTOAMHD-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315094;MM315094;C#CC(C)CCCC(N)=O;UZZSCTACSILOOD-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315095;MM315095;NN=CCCCCCCO;FLDKOXRTFCYNCY-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315096;MM315096;CC=CC1=CC2CC2(F)C1;DNCFDMLZUOMPJX-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315097;MM315097;CC1(F)CC=C(C=O)CC1;KAGROBAILQYXON-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315098;MM315098;CC=CC1=NC2(C)CC2N1;MJQCZUXIJLYPJU-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315099;MM315099;CC1(F)CC=C(C=O)OC1;NWADYXVKZSIDOK-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315100;MM315100;CC12CC1N=C(C=CN)N2;RZJDYFOHANDXEV-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315101;MM315101;C=CC1=COC(C)(C)OC1;WSSQWEOWPOHUDC-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315102;MM315102;CC=CC1=CC2CC2(C)O1;UCGBAVXMBBUEPA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315103;MM315103;CC1(C)OC=C(C=O)CO1;CLGFNJMAQINZTH-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315104;MM315104;CC=CC1=CC2OC2(C)C1;ALXXUZVPLQWUBE-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315105;MM315105;CCC1C=CC(C)(C)C=C1;XLTSBPOGZCYKNA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315106;MM315106;CC=CC1=NN2CC2(C)C1;QYYWVXBIVZYXRY-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315107;MM315107;CC1(C)C=CC(CN)C=C1;QMNSVSNKYYUCNX-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315108;MM315108;CC#CC1=CC2CC2(C)C1;ZDIDADHYLSVTQV-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315109;MM315109;CCC1C=CC(C)(N)C=C1;HCKJBXXYUDINSP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315110;MM315110;CC#CC1=CC2CC2(N)C1;YSVVHTFRIIVECV-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315111;MM315111;CCC1C=CC(C)(F)C=C1;GJXILAKAGWNMEI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315112;MM315112;C#CC(C)C(C)CC(N)=O;WOORVHQIZLWBNN-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315113;MM315113;CCC1C=CC(F)(F)C=C1;JHZXNWIRWAGPJD-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315114;MM315114;CC#CC1=CC2CC2(F)C1;UBIWQEOQYGKJTH-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315115;MM315115;NCC1C=CC(F)(F)C=C1;QWRSXHPWXFRYJT-UHFFFAOYSA-N;145.15;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315116;MM315116;CC#CC1=CC2CC2(C)O1;JOFRWXGKOITEMB-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315117;MM315117;FCC1C=CC(F)(F)C=C1;HKFKYWWPRHVTAB-UHFFFAOYSA-N;148.13;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315118;MM315118;CC#CC1=CC2NC2(C)C1;HAZLIDTXRPPYGQ-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315119;MM315119;CNC1C=CC(C)(C)C=C1;MNYSTJLEJBZMRY-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315120;MM315120;CC#CC1=CC2OC2(C)C1;MMGBYSMWOKGBEZ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315121;MM315121;CNC1C=CC(C)(N)C=C1;DPNHAYQIZKGJAX-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315122;MM315122;CC#CC1=NN2CC2(C)C1;LBINCROHKBTZPI-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315123;MM315123;CNC1C=CC(C)(F)C=C1;OIWWWMFNGAXYHB-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315124;MM315124;CC1CC(N)C2(C)C(N)C12;PAKNYJCQZSHEMO-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315125;MM315125;CNC1C=CC(F)(F)C=C1;DBMQAPXWHUAISJ-UHFFFAOYSA-N;145.15;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315126;MM315126;CC1CC(N)C2C(O)C12C;ITPIFTJZQWXJQS-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315127;MM315127;COC1C=CC(C)(C)C=C1;YXUOGTQDLFPPMH-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315128;MM315128;CC1CC(F)C2C(C)C12N;RDZAKCYMNUHCTC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315129;MM315129;COC1C=CC(C)(N)C=C1;UYFRMIBKMKQLHF-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315130;MM315130;CC1CC(F)C2C(N)C12N;JOEBFRYKUWCUJE-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315131;MM315131;COC1C=CC(C)(F)C=C1;UUQKMJFBKSODOB-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315132;MM315132;CC1CC(N)C2C(C)C12O;VYLAVFUONWJEMR-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315133;MM315133;C=CC1C=CC(C)(C)C=C1;QWRAKROCPCELNU-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315134;MM315134;CC1(C)C=CC(C=O)C=C1;SHLKEGNOLXPXLK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315135;MM315135;CC1NC(C)C2(C)C(C)C12;QZBJUPNBUDGQHV-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315136;MM315136;CC1(F)C=CC(C=O)C=C1;ZGNWAONEIIDNDL-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315137;MM315137;CC1CN(C)C2C(C)C12C;HXTYYGXUIHHKDM-UHFFFAOYSA-N;139.24;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315138;MM315138;C=CC1C=CC(F)(F)C=C1;UPDIBOVEPQAULG-UHFFFAOYSA-N;142.15;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315139;MM315139;CC1CN(C)C2C(C)C12N;AXNCARSRZPYIHK-UHFFFAOYSA-N;140.23;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315140;MM315140;CC1(C)C=CN(C=N)C=C1;MPCSRBGPXNQGBJ-UHFFFAOYSA-N;136.2;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315141;MM315141;CC1NC(=N)C2C(C)C12C;AEDWNHFUEMIDFA-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315142;MM315142;CC1(F)C=CN(C=N)C=C1;PILQZSCJRJJWHY-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315143;MM315143;C=C1OC(C)C2(C)C(C)C12;GYFFAJYMHBVBLV-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315144;MM315144;N=CN1C=CC(F)(F)C=C1;VJJZUCWNLJEBBH-UHFFFAOYSA-N;144.12;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315145;MM315145;C=C1OC(C)C2(C)C(N)C12;OBJINQKZFSLGDQ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315146;MM315146;CC=C1C=CC(C)(F)C=C1;HZVUCJJLTIGFKE-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315147;MM315147;CN1NC(=O)C2C(O)C21C;CDYUUECVRICFNR-UHFFFAOYSA-N;142.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315148;MM315148;FC=C1C=CC(F)(F)C=C1;KGVDIXLFIBMDOO-UHFFFAOYSA-N;146.11;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315149;MM315149;C=NOC(C=O)C=C(C)F;YGMLKUXMUCBRBO-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315150;MM315150;OCCCCCOC=CF;QAFLFHGDEXKMTQ-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315151;MM315151;C=CCC(=C)CCNC=O;JNDUFHCGKUDYKU-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315152;MM315152;CCC(C)CCC(C)CN;LDCOTBQELUAFOR-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315153;MM315153;C=C1NC(=N)C2N(C)C12C;WTNXVWRKOMETSN-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315154;MM315154;CC(CN)CCC(C)CN;YXOKJIRTNWHPFS-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315155;MM315155;C=CC=C(C)CCNC=O;JFLZXYVRZJYFJG-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315156;MM315156;CC(CN)CCC(C)CF;XTKHHXZGOWFQMN-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315157;MM315157;CN1C2C(=O)NC(=N)C21C;PHATTWZDSRQLOJ-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315158;MM315158;CC(CF)CCC(C)CF;BYRCRVYDGINVRR-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315159;MM315159;C=C(C)C(=C)CCNC=O;RSGXGARBPICCIM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315160;MM315160;CCC(C)CCC(N)CC;KIWPHAHPNLTBJR-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315161;MM315161;C=C1OC(=O)C2N(C)C12C;VGSHFQFEJRZXDK-UHFFFAOYSA-N;139.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315162;MM315162;CCC(C)CCC(N)CN;PMCZVLAXNVBIOQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315163;MM315163;CC1=CC(C)C2(C)C(C)C12;KWEOPHOMAIYFPX-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315164;MM315164;CCC(N)CCC(C)CN;YGVYVAPWMPZPIR-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315165;MM315165;CC(CN)CCC(N)CN;WKEPHGHPZQPVKM-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315166;MM315166;CC1C=C(F)C2C(O)C12C;MXOLIMFJMOJCFJ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315167;MM315167;CC(CN)CCC(N)CO;SPGMEKFREJFOKM-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315168;MM315168;CC1=CC(N)C2(C)C(O)C12;ZYHOQMDUYQXTBR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315169;MM315169;CC(CN)CCC(N)CF;BKXPSGZJGOHYON-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315170;MM315170;CC1=CC(N)C2(N)C(C)C12;JOKXDYRATAIMJV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315171;MM315171;CCC(N)CCC(C)CO;NIJDATHSXHSTBB-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315172;MM315172;C=C1C=C(F)C2N(C)C12C;ZWUBGTFLZOYHAU-UHFFFAOYSA-N;139.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315173;MM315173;C=C1CC(C)CC2CC12C;NXXBMMKUINLPER-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315174;MM315174;CC(CO)CCC(N)CN;YLPRHXUXYLHALF-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315175;MM315175;C=C1CC(C)CC2CC12F;LLPRATHDRVXGDL-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315176;MM315176;CC(CO)CCC(N)CO;WEANCHSYWULCGJ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315177;MM315177;CC1CC2CC2(C)C(=N)N1;GWJKYEGDGGJHEM-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315178;MM315178;CCC(N)CCC(C)CF;SPWBYVOSDUHYEG-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315179;MM315179;C=C1OC(C)CC2CC12C;WCLTUNQGXVLWFR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315180;MM315180;CC(CF)CCC(N)CF;SQXOYTAXTMZUJW-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315181;MM315181;C=C1OC(C)CC2CC12N;ZYKAQNVNLFGAOS-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315182;MM315182;CCC=CCCCCCO;XJHRZBIBSSVCEL-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315183;MM315183;C=C1CN(C)CC2CC12N;VOHIPFFOLODOEP-UHFFFAOYSA-N;138.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315184;MM315184;CCC(O)CCC(C)CN;UQBLDXVEUSPCJT-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315185;MM315185;C=C1CC(=O)CC2CC12C;BIWDBALWNDRBSA-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315186;MM315186;CC(CN)CCC(O)CN;JARQBINRZJPKBJ-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315187;MM315187;C=C1CC(=C)C2(N)CC2C1;YHLNJGPERRKQMA-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315188;MM315188;CC(CN)CCC(O)CO;CACUETAMKNZWJD-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315189;MM315189;O=CC=CCCCCCO;KSCNVCJEKJOSIV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315190;MM315190;C=C1CC(=O)CC2CC12O;QVCIDWREXPRPFQ-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315191;MM315191;CC(CO)CCC(O)CN;ZXQMOAHNDKZLRE-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315192;MM315192;C=C1CC(=C)C2(F)CC2C1;HUKGSPOHYNQPHL-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315193;MM315193;CC(CO)CCC(O)CO;KJEPYIQGDAZPMF-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315194;MM315194;C=C1CC(=O)CC2CC12F;WAHNDDZIIHUAMU-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315195;MM315195;CC(CF)CCC(O)CO;DDLGLTNEKWJXEN-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315196;MM315196;C=C1NC(=O)CC2CC12C;YSRXCEYSIGAVDE-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315197;MM315197;CCC(C)CCC(F)CC;LEDQQRXORBNQBK-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315198;MM315198;CC12CC1CC(=N)NC2=N;KQCLZZJRWDTWJX-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315199;MM315199;CCC(C)CCC(F)CN;SWOOSLILIUBJMF-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315200;MM315200;C=CCC1CC1(C)C(N)=O;AZNYMPSYZMXJIB-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315201;MM315201;CCC(C)CCC(F)CO;DEWNMKYACMXDLD-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315202;MM315202;C=C1NC(=N)CC2CC12N;TVLOSNJBQMXPAJ-UHFFFAOYSA-N;137.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315203;MM315203;CCC(F)CCC(C)CN;NPDISJPVHYJATD-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315204;MM315204;C=C1NC(=O)CC2CC12N;NIOIJLGCHDWPCO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315205;MM315205;CC(CN)CCC(F)CF;DJEBSLYIPBQORE-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315206;MM315206;N=C1CC2CC2(N)C(=N)N1;GZGHMJCDYXBSAF-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315207;MM315207;N#CC=CCCCCCO;CHOUKUHXKIYOJH-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315208;MM315208;C=C1NC(=N)CC2CC12O;SQKZBJAVSFMXNE-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315209;MM315209;C#CC=CCCCCCO;PECPQQKYLWYDNV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315210;MM315210;C=C1NC(=O)CC2CC12O;KCUIMUMTTZYEMG-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315211;MM315211;CCC(F)CCC(C)CF;NIEDRRBUYPFXCX-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315212;MM315212;CC(CF)CCC(F)CN;XTMGIUNUBJJALY-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315213;MM315213;C=C1NC(=N)CC2CC12F;AHCHSXZEOMIFPK-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315214;MM315214;C=C1NC(=O)CC2CC12F;BXWWJWMZDPEIDO-UHFFFAOYSA-N;141.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315215;MM315215;CC(CF)CCC(F)CO;ZRHXOWUBMYWRSZ-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315216;MM315216;C=C1CC2CC2(C)C(=C)O1;HOESBHUKBRZOCI-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315217;MM315217;CC(CF)CCC(F)CF;VVFBZFIONLGEAB-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315218;MM315218;C=C1OC(=O)CC2CC12C;WDXFOICFFXMQKB-UHFFFAOYSA-N;138.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315219;MM315219;CCC(N)CCC(N)CC;CAYKLQMXSZPJFS-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315220;MM315220;C=C1CC2CC2(N)C(=C)O1;YMEXQDCTQOWFBK-UHFFFAOYSA-N;137.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315221;MM315221;CCC(N)CCC(N)CN;VGZVQGYGDMULSR-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315222;MM315222;C=C1OC(=O)CC2CC12N;WASFSELXRJAQGE-UHFFFAOYSA-N;139.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315223;MM315223;CCC(N)CCC(N)CO;NXNIKDHAFQKOSA-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315224;MM315224;C=C1CC2CC2(O)C(=C)O1;AQOAXYOLJIJPPC-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315225;MM315225;NCC(N)CCC(N)CO;RPPPIHOBVHWDBH-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315226;MM315226;C=C1OC(=O)CC2CC12O;CFBZEQWCLOUVRP-UHFFFAOYSA-N;140.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315227;MM315227;NCC(N)CCC(N)CF;NWCCSBWQTVTEFF-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315228;MM315228;C=C1NC(=N)NC2CC12C;KBXOSPOXLNOOLE-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315229;MM315229;NC(CF)CCC(N)CF;NACSFEIPVYVCFC-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315230;MM315230;C=C1NC(=N)NC2CC12N;OPGUQPGSWNJBTA-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315231;MM315231;CCC(N)CCC(O)CC;UYPHGRMUZRYGLW-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315232;MM315232;C=C1C=C(F)CC2CC12C;BOFJYFHIIUIWBL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315233;MM315233;CCC(N)CCC(O)CN;RYMIJJUFSXZCSF-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315234;MM315234;CC1=CC(=O)C2(C)CC2C1;VOQDGMDHDKEKOT-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315235;MM315235;CCC(O)CCC(N)CN;UPISXCSRGYFERD-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315236;MM315236;C=C1C=C(C)CC2CC12N;RKISGDQWBASHHQ-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315237;MM315237;NCC(N)CCC(O)CN;KMOCYPILUFFTBC-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315238;MM315238;C=C1C=C(F)CC2CC12N;ARKHVJAWPPWNRQ-UHFFFAOYSA-N;139.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315239;MM315239;CCC(O)CCC(N)CO;ROVDPYQQKRWXPZ-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315240;MM315240;C=C1C=C(F)CC2CC12O;XXQYPVIKMUQTCB-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315241;MM315241;CCC(N)CCC(F)CC;NGDXWQBSAJNCML-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315242;MM315242;C=C1C=C(C)CC2CC12F;QJFHNOFLJBORPM-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315243;MM315243;CC1=CC(C)CC2CC12C;XCDGGMYXYXLSHV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315244;MM315244;CCC(N)CCC(F)CF;LDAMBADKSJLIJC-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315245;MM315245;CC1=CC(F)CC2CC12O;PCOWFEVWAOGVDR-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315246;MM315246;NCC(N)CCC(F)CN;URQHHNWGKWXULG-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315248;MM315248;NCC(N)CCC(F)CO;BJOKPCGEGSWYDB-UHFFFAOYSA-N;150.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315247;MM315247;CC1=CC(O)CC2CC12F;OBWBPTSQLGGCLC-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315249;MM315249;NCC(N)CCC(F)CF;XEWAZNLFXKJWHQ-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315250;MM315250;CC1=CC(C)NC2CC12N;TXXPGFOMZPDGRB-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315251;MM315251;CCC(F)CCC(N)CO;FWYMFMMYTWMDBT-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315252;MM315252;CC1=NN(C)CC2CC12F;FRGLJOMAZKWSMZ-UHFFFAOYSA-N;142.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315253;MM315253;NC(CO)CCC(F)CO;HMNBGNXGSGFOPP-UHFFFAOYSA-N;151.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315254;MM315254;NC1=CC(=O)CC2CC12O;FHLDBYOKIZHORM-UHFFFAOYSA-N;139.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315255;MM315255;CCC(F)CCC(N)CF;PVTISTSIRQJXNV-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315256;MM315256;C=C1C=C(C)C2(F)CC2C1;NTKOHFDEWKZZHI-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315257;MM315257;NCC(F)CCC(N)CF;UFAJWOSIKNAFLU-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315258;MM315258;CC1=CC(=O)CC2CC12F;DOBRSZCDEQJQGM-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315259;MM315259;CCC(O)CCC(O)CC;BCKOQWWRTRBSGR-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315260;MM315260;NC1=CC(=O)CC2CC12F;NXAFIHHHGKAMTN-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315261;MM315261;CCC(O)CCC(O)CN;JDXJWIKHYPWWBC-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315262;MM315262;COCc1cnnc(=N)o1;AONKFOOYXSBYPH-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315263;MM315263;CCC(O)CCC(O)CO;XMUSWCCAXPLHGZ-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315264;MM315264;COCc1cnnc(=O)o1;SIVISDJEPGPTCT-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315265;MM315265;CCC(O)CCC(F)CC;LVBGUZCCUBMTDI-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315266;MM315266;CON=CN(O)CC(=O)O;PMQNOIYNFPMIOA-UHFFFAOYSA-N;148.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315267;MM315267;CCC(O)CCC(F)CN;GXMVKFJAQQHUHL-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315268;MM315268;C=NN=C(NN=C)OC=O;NEUDIZOKEKPNKE-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315269;MM315269;CCC(O)CCC(F)CF;MYNJPKJPSRLHGP-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315270;MM315270;N#CCc1cnnc(=N)o1;GMLUQTHDEMVRAF-UHFFFAOYSA-N;136.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315271;MM315271;OCC(O)CCC(F)CF;FQSIKOAVNRHDEK-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315272;MM315272;C=CCc1cnnc(=O)o1;KDFRMRVSGFWDGT-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315273;MM315273;CCC(F)CCC(O)CF;GNDPOJPLUBNIPH-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315274;MM315274;O=CCc1cnnc(=O)o1;PTSUPXIUBOXQNM-UHFFFAOYSA-N;140.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315275;MM315275;NCC(F)CCC(O)CF;GLAIFSDKNSMDQY-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315276;MM315276;N#CCc1cnnc(=O)o1;ANSWKEAJFPTMLU-UHFFFAOYSA-N;137.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315277;MM315277;CCC(F)CCC(F)CO;XQYZLMIMLHLVRX-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315278;MM315278;O=CNc1cnnc(=O)o1;WNZNJAHQJBPLBZ-UHFFFAOYSA-N;141.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315279;MM315279;CCC(F)CCC(F)CF;HJCOTRIIABIQGL-UHFFFAOYSA-N;154.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315280;MM315280;N=c1nncc(OC=O)o1;BDXYGRFNEMCLPJ-UHFFFAOYSA-N;141.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315281;MM315281;NCC(F)CCC(F)CN;KEBTUBWXPJHWAZ-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315282;MM315282;C=NNC1=CC(=O)C(=C)C1;LTHFBODHLVVPIS-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315283;MM315283;FCC(F)CCC(F)CF;GQXIRRBIZGWEOL-UHFFFAOYSA-N;158.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315284;MM315284;C#CCc1cnnc(=O)o1;NBFLGZOUBHBJQU-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315285;MM315285;CNC(C)CCC(C)CN;LSTFFEZCPFACDF-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315286;MM315286;CC=Cc1cnnc(=N)o1;ZEAQUDINTBJQPQ-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315287;MM315287;CNC(C)CCC(C)CO;KHAZCJNQIZPZHK-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315288;MM315288;N=c1nncc(C=CF)o1;GVNKDPAZIDYPHR-UHFFFAOYSA-N;141.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315289;MM315289;CNC(C)CCC(C)CF;OICJOAMSYTVTHG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315290;MM315290;CC=Cc1cnnc(=O)o1;PKAPWTGYQGXQMT-UHFFFAOYSA-N;138.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315291;MM315291;CCC(N)CCC(C)NC;ZQZIPSMUUANRJB-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315292;MM315292;O=c1nncc(C=CF)o1;IQYQWGPJGNYHFG-UHFFFAOYSA-N;142.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315293;MM315293;CNC(C)CCC(N)CN;NGSIGETUTDUHOC-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315294;MM315294;N=c1nncc(C=NN)o1;UXURBRLYDYJSNQ-UHFFFAOYSA-N;139.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315295;MM315295;CNC(C)CCC(N)CO;GGJRDXSMIJRRNA-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315296;MM315296;NN=Cc1cnnc(=O)o1;DUGZGZLNJYPZGU-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315297;MM315297;CCC(O)CCC(C)NC;DZILJNNUGHXEJC-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315298;MM315298;CC#Cc1cnnc(=N)o1;YQKVGKVFVVYZQI-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315299;MM315299;CNC(C)CCC(O)CN;IFIXSDXXEQLEQF-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315300;MM315300;CC#Cc1cnnc(=O)o1;DRUMNLMVRICMRD-UHFFFAOYSA-N;136.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315301;MM315301;CNC(C)CCC(O)CO;HVWPOHLMCOQFNJ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315302;MM315302;CON=c1cc(C)cco1;GNZRIXCCWBOHHF-UHFFFAOYSA-N;139.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315303;MM315303;CCC(F)CCC(C)NC;QEGVNKVBWKTTJS-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315304;MM315304;CNC(C)CCC(F)CF;RSXSTCNDGKZZCZ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315305;MM315305;CON=c1cc(C)nco1;RONFTSRGRDZIAD-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315306;MM315306;COC(C)CCC(C)CN;DGHAPAGRJORTHW-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315307;MM315307;C#CC(CC)CCC(N)=O;DVOUIUZTJPGFSK-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315308;MM315308;C=CC#CCCCCCO;UFOFNXLDVWHGQF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315309;MM315309;C=NN=c1cc(C)cco1;WTNLMVQQGPVDQY-UHFFFAOYSA-N;136.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315310;MM315310;CCC(N)CCC(C)OC;YNWBLLWRQLADEB-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315311;MM315311;CON=c1cc(C)ocn1;YPPPELDOYPDNMV-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315312;MM315312;COC(C)CCC(N)CN;JTCQNVIGQIKTER-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315313;MM315313;CCN=c1cnoc(C)n1;WYENLRZGCBXUSB-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315314;MM315314;COC(C)CCC(N)CO;CUDCDFDAUHLLIB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315315;MM315315;CCC(O)C(C)=CCCO;FWRDHHAJJLXVHT-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315316;MM315316;COC(C)CCC(O)CN;MTAODSIDZPYNCH-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315317;MM315317;Nn1c(O)n[nH]c1=O;BWFMTHGMFVQPSE-UHFFFAOYSA-N;116.08;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315318;MM315318;COC(C)CCC(F)CF;POMMIRDSYQBBRI-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315319;MM315319;CCN=c1cnoc(F)n1;NFZCHNBLRXLGDU-UHFFFAOYSA-N;143.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315320;MM315320;CNC(C)CCC(C)NC;SVFURJHNUFDWJP-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315321;MM315321;C=CC(O)C(C)=CCCO;CVLJPNOEXKXZRP-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315322;MM315322;CCC(C)CNC(C)CC;KNDPRAQORWFMIX-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315323;MM315323;C=CC(=CC)CCNC=O;IYHRPQUJJPVLCO-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315324;MM315324;CCC(C)CNC(C)CN;FYXFJNLBBGDTJJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315325;MM315325;C=Cc1nnn(C=N)c1O;VNYBPNMSWYZFET-UHFFFAOYSA-N;138.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315326;MM315326;CCC(C)NCC(C)CN;KGPUSLLEIUMPLG-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315327;MM315327;C#CCC1=NNC(C=O)C1;FEEZONKNAOGYDZ-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315328;MM315328;CCC(C)NCC(C)CO;HDKGYGHFPOFOTI-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315329;MM315329;CON=c1cnoc(C)n1;FQIIFEPQDMXMDC-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315330;MM315330;CCC(C)NCC(C)CF;NEOIBGPUXXXQEK-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315331;MM315331;Cc1nc(=NC=N)cno1;VODIDMWWAVNNBK-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315332;MM315332;CC(CF)CNC(C)CN;LYQSLFQEEGVZNS-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315333;MM315333;Cc1nc(=NC=O)cno1;JTSDLNSFJAZCPR-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315334;MM315334;CC(CF)CNC(C)CF;VRBGOUYYPZJYER-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315335;MM315335;C#CC(C=O)C1NC1C#C;WNJXBMAEBIDDIJ-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315336;MM315336;CCC(N)CNC(C)CN;IPRAVFSXQDEJBI-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315337;MM315337;N=CN=c1cnoc(F)n1;HCNYECMIDJRUSI-UHFFFAOYSA-N;142.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315338;MM315338;CCC(N)CNC(C)CO;WWBAHEDNXJWFEM-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315339;MM315339;C=NN=c1cnoc(C)n1;QDYKYZMJXJQYAV-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315340;MM315340;CCC(C)NCC(N)CN;TYRJFPSJWWFUMR-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315341;MM315341;C=CCC=CCCNC=O;XXCXMISEGHMZQV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315342;MM315342;CCC(C)NCC(N)CO;KCBJNBYAHXAMOR-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315343;MM315343;CC=NOCC(O)C(=O)O;AKVQNTWSDONVTR-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315344;MM315344;CCC(O)CNC(C)CC;REUXRXASQZZQIY-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315345;MM315345;C=NN=c1cnoc(F)n1;FYWDFHGEPCZSSX-UHFFFAOYSA-N;142.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315346;MM315346;CCC(O)CNC(C)CN;LEZUMWZWSNZHQG-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315347;MM315347;CCCc1cc(=O)cco1;NMOXOHPJKJCDEL-UHFFFAOYSA-N;138.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315348;MM315348;CCC(O)CNC(C)CO;DGDWGHHODRQQQJ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315349;MM315349;NCCc1cc(=O)cco1;OJXYPTICVPLWNZ-UHFFFAOYSA-N;139.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315350;MM315350;CCC(C)NCC(O)CN;NJJTZJSOXRMTRI-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315351;MM315351;O=c1ccoc(CCO)c1;RLCAQPDDKXSGQQ-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315352;MM315352;CCC(C)NCC(O)CF;CWWMYCQVGLLMOP-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315353;MM315353;COCc1cc(=O)cco1;XLYBIBIFYSIXLL-UHFFFAOYSA-N;140.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315354;MM315354;CCC(F)CNC(C)CC;PMMUXOAJUBLIRN-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315355;MM315355;CCOc1cc(=O)cco1;ZFOPYSXDZHRANY-UHFFFAOYSA-N;140.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315356;MM315356;CC(CO)NCC(F)CN;DOLHZUJBAWHINO-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315357;MM315357;N=c1cc(CCN)ocn1;VKFVDGPUUGPNQB-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315358;MM315358;CC(CF)NCC(F)CN;LVEFVODEABVPOC-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315359;MM315359;C=C(C=CC)C(N)=O;IYGQURFLFOHUII-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315360;MM315360;CCC(C)NCC(F)CO;YDEPGVWXMNLXJG-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315361;MM315361;NCCc1cc(=O)nco1;NTPZUDMPMWNAHV-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315362;MM315362;CCC(C)NCC(F)CF;HRZKFXJRRHXQIK-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315363;MM315363;CCNc1cc(=O)nco1;SODZMFTUWKEYMB-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315364;MM315364;CC(CN)NCC(F)CF;GJUDUYMCAKYFPY-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315365;MM315365;CN=c1c(F)c(C)[nH]n1O;MXNSAOMAMYLDKH-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315366;MM315366;CCC(C)NCC(C)NC;COBQHFJELLWGDO-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315367;MM315367;CCCc1nc(=O)cco1;WVIMADMMHUWJRJ-UHFFFAOYSA-N;139.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315368;MM315368;COC(C)CNC(C)CN;SQBITXUKWZGEOJ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315369;MM315369;NCCc1nc(=O)cco1;LVJSWTKXBXZIBU-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315370;MM315370;COC(C)CNC(C)CF;FMTSSIXDGYMOGP-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315371;MM315371;COCc1nc(=N)cco1;XNBKNPZGUQYXFO-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315372;MM315372;CCC(C)COC(C)CC;XEXUXQRPIKYBQL-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315373;MM315373;COCc1nc(=O)cco1;VKXIEEPNJQMMOC-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315374;MM315374;CCC(C)OCC(C)CN;PQSUCPZPOUNKHE-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315375;MM315375;N=c1ncoc(CCN)n1;RHWFYVHFRKJANT-UHFFFAOYSA-N;140.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315376;MM315376;CC(CO)COC(C)CO;SCJCBDAAUIQKAT-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315377;MM315377;CCC(N)COC(C)CN;XLCAHSRDXOPSIZ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315378;MM315378;NCCc1nc(=O)nco1;QXVMRLZFPWKSOA-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315379;MM315379;CC(CO)OCC(N)CN;KYPYMUQYXQIRJW-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315380;MM315380;COCc1nc(=O)nco1;HGVGQZYJXXNEIX-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315381;MM315381;CC(CO)OCC(N)CO;JCZWCNLSUQFVCH-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315382;MM315382;CNC=C(C)C(N)=O;KVDXPAHINDHGIK-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315383;MM315383;CC(CF)OCC(N)CF;UXLPJLIXMCEFQP-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315384;MM315384;N=CNc1cc(=O)cco1;PNMGIZCFGYZFLG-UHFFFAOYSA-N;138.13;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315385;MM315385;CC(CO)OCC(O)CO;GRFWPEXQZXXAFT-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315386;MM315386;O=CNc1cc(=O)cco1;VREMXXJSUKJQML-UHFFFAOYSA-N;139.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315387;MM315387;CC(CO)OCC(O)CF;NPCFRYSXUSYREW-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315388;MM315388;O=COc1cc(=O)cco1;RELOXARAIOQBGP-UHFFFAOYSA-N;140.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315389;MM315389;CCC(F)COC(C)CC;HRHDTGDGTMCZBO-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315390;MM315390;O=CNc1cc(=O)nco1;KLNLFFBSHYNASV-UHFFFAOYSA-N;140.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315391;MM315391;CC(CF)OCC(F)CN;LRRMGQAQLIBBLX-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315392;MM315392;C=COc1cc(=O)nco1;ISRGQAHFTKSCGB-UHFFFAOYSA-N;139.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315393;MM315393;CC(CO)OCC(F)CO;GEDHEFWGWATWQN-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315394;MM315394;O=COc1cc(=O)nco1;BKEJBSUKDHZUPR-UHFFFAOYSA-N;141.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315395;MM315395;CCC(C)COC(C)OC;QUFWZNZKLAMNMK-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315396;MM315396;O=CCC(C(=O)O)C(F)F;QPJGQAIIOZGIFV-UHFFFAOYSA-N;152.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315397;MM315397;COC(C)OCC(N)CN;WJFSVRQIXQANDZ-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315398;MM315398;C=CCc1nc(=N)cco1;OOTPYOGZHAEUBR-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315399;MM315399;COC(C)OCC(N)CO;MDPVAPBLGFOGMD-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315400;MM315400;CC(NC=O)C(C)(C)C;NFBFERYHCPXWCC-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315401;MM315401;COC(C)OCC(O)CN;TVMDZAVQRVWGGC-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315402;MM315402;N=c1ccoc(NC=O)n1;LHOUYYLSCQUCEB-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315403;MM315403;COC(C)OCC(O)CO;VFLYLRLRFWKBIP-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315404;MM315404;O=CNc1nc(=O)cco1;QXPIZYSAHRSBQC-UHFFFAOYSA-N;140.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315405;MM315405;COC(C)OCC(O)CF;DJXKNGABOFLWQV-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315406;MM315406;C=COc1nc(=N)cco1;BPAXYYDQJCVBNC-UHFFFAOYSA-N;138.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315407;MM315407;COC(C)OCC(F)CO;DPKKGHMLMGQOGV-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315408;MM315408;N=c1ccoc(OC=O)n1;CEYSQRKEPARWLQ-UHFFFAOYSA-N;140.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315409;MM315409;CNC(C)COC(C)CN;IBJIQULDDYKPFU-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315410;MM315410;C=COc1nc(=O)cco1;ZHLSXGGNIQVIAY-UHFFFAOYSA-N;139.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315411;MM315411;COC(C)COC(C)OC;KLESTJOGMSMPMV-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315412;MM315412;O=COc1nc(=O)cco1;GDHGOVHEXQXQGU-UHFFFAOYSA-N;141.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315413;MM315413;CCN(C)CCC(C)CN;XIMKUWSDNMPOGO-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315414;MM315414;N=c1ncoc(CC=O)n1;QENWKKJODSNHRI-UHFFFAOYSA-N;139.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315415;MM315415;CCN(C)CCC(C)CF;YGYOCUOSRKGQFG-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315416;MM315416;N=c1ncoc(NC=O)n1;PRRMTMXVQQWWSK-UHFFFAOYSA-N;140.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315417;MM315417;CCC(N)CCN(C)CC;CPSPDCSQWDODSU-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315418;MM315418;O=CNc1nc(=O)nco1;PRXUNENSIUJWBB-UHFFFAOYSA-N;141.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315419;MM315419;CCN(C)CCC(N)CN;BKLGMIDVEZOCMY-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315420;MM315420;C=COc1nc(=N)nco1;GSMQPHKFYQJJFP-UHFFFAOYSA-N;139.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315421;MM315421;CCN(C)CCC(N)CO;KFJOXXWLXJHLHX-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315422;MM315422;N=c1ncoc(OC=O)n1;BOOLPTWCLWBVJF-UHFFFAOYSA-N;141.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315423;MM315423;CCC(O)CCN(C)CC;LRKXZYYEMWHIPB-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315424;MM315424;O=COc1nc(=O)nco1;UMFUYEBHVXZNCO-UHFFFAOYSA-N;142.07;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315425;MM315425;CCN(C)CCC(O)CO;AKESBOJYCLNUBN-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315426;MM315426;CC=Cc1cc(=O)cco1;NKGVWBOFRNXKIA-UHFFFAOYSA-N;136.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315427;MM315427;CCC(F)CCN(C)CC;DWTYYJJYWVWKFS-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315428;MM315428;O=c1ccoc(C=CF)c1;KEHZOBZMHFGLMD-UHFFFAOYSA-N;140.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315429;MM315429;CCN(C)CCC(F)CO;CTUHPNJRUKZLDQ-UHFFFAOYSA-N;149.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315430;MM315430;CC=Cc1cc(=N)nco1;SYZHQQBCBSCSLH-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315431;MM315431;CCN(C)CCC(F)CF;ANMNLLYUYBKIAO-UHFFFAOYSA-N;151.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315432;MM315432;CCN(C)CCC(C)NC;WVGONKLNGCOTJJ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315433;MM315433;N=c1cc(C=CF)ocn1;YPIVHGGGYLZOLN-UHFFFAOYSA-N;140.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315434;MM315434;CCN(C)CCC(C)OC;JCQQUYQBGSUUOF-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315435;MM315435;CC=Cc1cc(=O)nco1;DQYSYJOUJQECOY-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315436;MM315436;CCN(C)CCN(C)CC;BWTBHGDNJBIYAQ-UHFFFAOYSA-N;144.26;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315437;MM315437;CC=Cc1nc(=N)cco1;WYTKZWKZPYXGCS-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315438;MM315438;C=CC(C)CCC(C)CC;WAHBGTQUYNRSNX-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315439;MM315439;CC=Cc1nc(=O)cco1;HMCJRLLQWLHYRS-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315440;MM315440;CCC(C)CCC(C)C#N;SDKUYEIRKQJZDF-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315441;MM315441;N=c1ncoc(C=CF)n1;AWSQZWQAEXAMEY-UHFFFAOYSA-N;141.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315442;MM315442;C=CC(C)CCC(C)CN;COFVYEAHMJEVOO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315443;MM315443;CC=Cc1nc(=O)nco1;XAKCENGPLXKALH-UHFFFAOYSA-N;138.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315444;MM315444;O=CC#CCCCCCO;TYUYSRWKGLVNDG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315445;MM315445;CC=Cc1nc(=O)nno1;UPWBTHUDFGPTRC-UHFFFAOYSA-N;139.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315446;MM315446;N#CC#CCCCCCO;IWCWTGLUWXDXLP-UHFFFAOYSA-N;137.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315447;MM315447;CC#Cc1cc(=O)cco1;LSHSMECKVSKOIL-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315448;MM315448;C=CC(C)CCC(C)CF;NMHRRYTUABCEQV-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315449;MM315449;CC#Cc1nc(=O)cco1;ABVWYDWEMDBNLD-UHFFFAOYSA-N;135.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315450;MM315450;CC(C=O)CCC(C)CF;BHNPJBQTGDZXPU-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315451;MM315451;COCc1cc(=O)onn1;NIWMCOUIRHJDKY-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315452;MM315452;C=CC(N)CCC(C)CC;LBARFDTYDNKRJC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315453;MM315453;O=CNc1ccoc(=O)c1;RINVMWDCVGVZPU-UHFFFAOYSA-N;139.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315454;MM315454;C=CC(N)CCC(C)CO;HFCIEQSQGROIGX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315455;MM315455;C=CCc1cc(=O)onn1;UBDOGNQQTKSCBT-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315456;MM315456;C=CC(N)CCC(C)CF;MSYBCTCXZPVAPV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315457;MM315457;O=CCc1cc(=O)onn1;ZBCAWFZUBSLFAL-UHFFFAOYSA-N;140.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315458;MM315458;C#CC#CCCCCCO;OQFMDEGMZAIFDN-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315459;MM315459;CCC(C)CCC(O)C=O;CVPKGWNMKYXONK-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315460;MM315460;N#CCc1cc(=O)onn1;CMPRBSSFZACESF-UHFFFAOYSA-N;137.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315461;MM315461;CCC(C)CCC(O)C#N;OXKYUFLVODYNOJ-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315462;MM315462;O=CNc1cc(=O)onn1;YYSNRZYWEGTQFA-UHFFFAOYSA-N;141.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315463;MM315463;C=CC(O)CCC(C)CN;PPYJEUIFHOXFBZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315464;MM315464;C#CCc1cc(=O)onn1;FNXUJOJGOVSJCC-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315465;MM315465;O=CCC#CCCCCO;FQIXAXKHPAPSPI-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315466;MM315466;O=c1cc(C=CF)cco1;HJMUQCGHQJNHHS-UHFFFAOYSA-N;140.11;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315467;MM315467;CC(CO)CCC(O)C=O;AHYHGECTZHDFLS-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315468;MM315468;CC=Cc1cc(=O)onn1;VPGLBICQELPRNU-UHFFFAOYSA-N;138.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315469;MM315469;C#CCC#CCCCCO;RWKBLGBCDARUFI-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315470;MM315470;NN=Cc1cc(=O)onn1;DQUPSXDFUSCISJ-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315471;MM315471;CC(CF)CCC(O)C#N;PPIOSXLOYAXOQB-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315472;MM315472;CC=Cc1ncoc(=N)n1;VOWJWEIKAYCDPY-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315473;MM315473;OCCCCC1CC1CF;ORZJDXHGTKZBBS-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315474;MM315474;N=c1nc(C=CF)nco1;IAWLPENXQYSNDR-UHFFFAOYSA-N;141.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315475;MM315475;O=CC1CC1CCCCO;WYCXSRFKMRYYQU-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315476;MM315476;CC#Cc1cc(=O)onn1;INQFVVACCWXKQW-UHFFFAOYSA-N;136.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315477;MM315477;C=CC(F)CCC(C)CF;NXNCGTGVPADLQZ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315478;MM315478;CCCC1CC(CCC)C1;XZIKCLREKZUGEN-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315479;MM315479;CC(CF)CCC(F)C=O;WJHIIGXAUSNZJD-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315480;MM315480;CCCC1CC(CCN)C1;AFAVWEQQGMFZDR-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315481;MM315481;CC(CF)CCC(F)C#N;DMHJCULIQOWBOS-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315482;MM315482;C=NOC(C)(C)CC=O;WVYWJRQIODOFSD-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315483;MM315483;C=CC(C)CCC(N)CC;YESSJIZBHVKSPU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315484;MM315484;NCCC1CC(CCN)C1;RAWQZIXMEHTPPZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315485;MM315485;C=CC(C)CCC(N)CF;GVZNATRDDPHCBY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315486;MM315486;NCCC1CC(CCO)C1;YFHTWCPAZQPTPE-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315487;MM315487;C=CC(N)CCC(N)CC;VGWMDUQBYLDLNL-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315488;MM315488;C=C(CO)CCC=NN;YQCABJBAKYQRTG-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315489;MM315489;C=CC(N)CCC(N)CF;DDQWSPILBVSFSR-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315490;MM315490;CCCC1CC(CNC)C1;RYJICHGSBRXDLM-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315491;MM315491;C=CC(O)CCC(N)CC;JZPXROUUQWOJLS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315492;MM315492;CNCC1CC(CCN)C1;GUGZSOVCEMRMAF-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315493;MM315493;C=CC(O)CCC(N)CN;ZMMZDYOJXHQUKV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315494;MM315494;C=CC(F)CCC(N)CN;HSJYMBPWDXNZDB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315495;MM315495;CNCC1CC(CCO)C1;DTEKRNDIILRRAO-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315496;MM315496;C=CC(F)CCC(N)CF;WSTIWPCXJMCSDR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315497;MM315497;CNCC1CC(CNC)C1;YCJQNNDRBPGBGD-UHFFFAOYSA-N;142.25;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315498;MM315498;C=NN1CC1CCCCO;RGYKBRVBYBRLAC-UHFFFAOYSA-N;142.2;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315499;MM315499;CCNC1CC(CCN)C1;XCERWGWKOSRYTN-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315500;MM315500;C#CC1CC1CCCCO;QLGTWFBXOLLTSW-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315501;MM315501;CCNC1CC(CCO)C1;QKFJBFWMFHFGSB-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315502;MM315502;C=CC(C)CCC(O)CN;JGDBAEIDCWKGLO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315503;MM315503;CCNC1CC(CNC)C1;AZIGZBHDKTWTPT-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315504;MM315504;CCCC1CC(OCC)C1;FDJVUYVABNUXFC-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315505;MM315505;C=CC(C)CCC(O)CO;BGBJGLRQXGKJTQ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315506;MM315506;CCNC1CC(NCC)C1;ZELXSMVYDAPCEH-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315507;MM315507;CC(C=O)CCC(O)CO;ORGYJJVSAWONDB-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315508;MM315508;CCNC1CC(OCC)C1;IVVVSATVJRBXMO-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315509;MM315509;CC(C#N)CCC(O)CO;RREXZKBZLKKMDS-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315510;MM315510;CCCC1CC(CCC)N1;UGIMQEGGKNAYAN-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315511;MM315511;C=CC(C)CCC(O)CF;RGSVVSBBVUGIAV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315512;MM315512;CCCC1CC(CCN)N1;MWZLIZDXERFVNH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315513;MM315513;CC(C#N)CCC(O)CF;RLLGDKJDRDEZSA-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315514;MM315514;CCCC1CC(CCO)N1;KYCUIKKRBYVEOB-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315515;MM315515;C=CC(N)CCC(O)CC;KTEGLTXWMLJEDX-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315516;MM315516;NCCC1CC(CCN)N1;FHIILIPSIRNDTQ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315517;MM315517;C=CC(N)CCC(O)CO;UUZKVKIZQHFFCY-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315518;MM315518;OCCC1CC(CCO)N1;VPSWTSDNMYMPLU-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315519;MM315519;C=CC(N)CCC(O)CF;RBCZOZZPUMHKEA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315520;MM315520;CNCC1CC(CCN)N1;XREYATAJDHYWFM-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315521;MM315521;C=CC(O)CCC(O)CC;YKJZXZCURACYRG-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315522;MM315522;CCCC1CC(CCN)O1;UQFNURZPFHRPFQ-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315523;MM315523;CCC(O)CCC(O)C=O;IWNXGHDHRLLMMK-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315524;MM315524;CCCC1CC(CCO)O1;FGZNYFMZDXPVLW-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315525;MM315525;C=CC(O)CCC(O)CO;CHXRUKAKVOMERL-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315526;MM315526;NCCC1CC(CCN)O1;QLFROZSZPVZPBA-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315527;MM315527;O=CC(O)CCC(O)CO;BFULBERWHKYUQW-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315528;MM315528;CCCC1CN(CCC)C1;NOCXIFDZWVNCOE-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315529;MM315529;O=CC(O)CCC(O)CF;OIOMYDUKRHSTNV-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315530;MM315530;CCCC1CN(CCO)C1;CDNCWBNJWPAUQY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315531;MM315531;N#CC(O)CCC(O)CF;BQXAJINTFMAJMS-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315532;MM315532;CCCN1CC(CCN)C1;NUFCIOVOWOZSFN-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315533;MM315533;C=CC(F)CCC(O)CC;YEOPYIMAQGHFCQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315534;MM315534;NCCN1CC(CCO)C1;CECMAIJIFFZBHV-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315535;MM315535;CCC(O)CCC(F)C#N;PCDIZPRWHICJSI-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315536;MM315536;CCCN1CC(CNC)C1;LIOHZVXXKCCUHY-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315537;MM315537;C=CC(F)CCC(O)CN;XJDYAXWOVFAKRJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315538;MM315538;CCCN1CC(NCC)C1;JDULTYKCKKUYFN-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315539;MM315539;N#CC(F)CCC(O)CO;GQBYEKMNTNQZTK-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315540;MM315540;C=CCC1CC(CCC)C1;XSODDWIEFHWIHM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315541;MM315541;C=CC(F)CCC(O)CF;ABGINJSUQPJCQS-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315542;MM315542;CCCC1CC(CC=O)C1;NAWRLPMGLLJODL-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315543;MM315543;N#CC(F)CCC(O)CF;ZEGBRSLELODWRU-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315544;MM315544;C=CCC1CC(CCN)C1;AOKABIJBFSZOJO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315545;MM315545;C=CC(C)CCC(F)CC;MYMQAUKJWGKQTD-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315546;MM315546;CC1CN1CC(=O)C#N;QMGYFVSDBSYRGL-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315547;MM315547;CCC(F)CCC(C)C=O;NQAPTHYUTNUYQZ-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315548;MM315548;Cn1ccc(=O)nc1N;NINMLCLBRADCOF-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315549;MM315549;CCC(F)CCC(C)C#N;DCVFJFGCLKHPOI-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315550;MM315550;C=CCC1CC(CNC)C1;RMENSGYNOJSXRR-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315551;MM315551;C=CC(C)CCC(F)CN;INUFXSQHXDUDHF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315552;MM315552;CNCC1CC(CC#N)C1;HUKCHUZUXUWAAN-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315553;MM315553;CC(C#N)CCC(F)CO;PHHIIOPKLRRAAN-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315554;MM315554;CCCC1CC(NC=N)C1;WTNPZFYPSYZZHY-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315555;MM315555;CC(C=O)CCC(F)CF;QAXQDLUXXQMKHY-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315556;MM315556;CN1CC1CCC(N)=O;NEGLZXPZTUETBO-UHFFFAOYSA-N;128.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315557;MM315557;C=CC(N)CCC(F)CC;DAOIHBJZBNTBMS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315558;MM315558;N=CNC1CC(CCN)C1;GWSYDZVMHTZNBK-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315559;MM315559;C=CC(N)CCC(F)CN;AORJPQKSVOILFY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315560;MM315560;NCCC1CC(NC=O)C1;YQQICEFOIHLXOR-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315561;MM315561;C=CC(O)CCC(F)CC;FOVXWAYRRCWVFE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315562;MM315562;N=CNC1CC(CCO)C1;ZXSVOZUSRYAEPJ-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315563;MM315563;C=CC(O)CCC(F)CN;GJWRCQQYNICCJL-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315564;MM315564;C#CCCC(C)CC(N)=O;NCKHSTLFNUUDPA-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315565;MM315565;O=CC(O)CCC(F)CO;VREXYTFWMLGRBV-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315566;MM315566;C=NNC1CC(CCC)C1;GXRQSCFDJMMHMI-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315567;MM315567;N#CC(O)CCC(F)CO;BXXSVIMDYVOEEA-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315568;MM315568;C=NNC1CC(CCN)C1;AARBITCTBFFYQY-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315569;MM315569;C=CC(O)CCC(F)CF;CPFABMKZOXGEAX-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315570;MM315570;CCCNC(N)=CC(N)=O;JROIPWKHWTYMJI-UHFFFAOYSA-N;143.19;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315571;MM315571;O=CC(O)CCC(F)CF;CJOKCBRXTOXDLT-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315572;MM315572;CNCC1CC(NC=N)C1;CXKOIHYODPHYTG-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315573;MM315573;N#CC(O)CCC(F)CF;IFVCJVOYDOCMFE-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315574;MM315574;C=NNC1CC(CNC)C1;VIPGLMMQBAHSAE-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315575;MM315575;C=CC(F)CCC(F)CC;QXKHQYBMGHHCOV-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315576;MM315576;C=COC1CC(CCC)C1;UYCWYRXXBTVUDW-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315577;MM315577;CCC(F)CCC(F)C=O;JEFGFHCSZMOFGJ-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315578;MM315578;CCCC1CC(OC=O)C1;WTGJERRODGUUEN-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315579;MM315579;CCC(F)CCC(F)C#N;WVDZWPKXNKYCSG-UHFFFAOYSA-N;147.17;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315580;MM315580;C=COC1CC(CCN)C1;CCQRSEWCGHGLNA-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315581;MM315581;C=CC(F)CCC(F)CN;ZTJMNWAEMJLXQA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315582;MM315582;C=CC(O)C=CCC(C)O;IAOVDWDWNRCRCA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315583;MM315583;C=CC(F)CCC(F)CF;QEGOXJYIIMRZEZ-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315584;MM315584;CCN(C)C(N)=CC(N)=O;JICHJEPDEUEOEP-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315585;MM315585;N#CC(F)CCC(F)CF;XEQHHBHOHMTJLZ-UHFFFAOYSA-N;151.13;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315586;MM315586;C=NOC1CC(CCC)C1;OYFGVTDHKHYDPD-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315587;MM315587;C=CC(C)CCC(C)NC;WCCYQZVTHVXXKX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315588;MM315588;C=NOC1CC(CCN)C1;QEOXQPLYWKNARX-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315589;MM315589;CNC(C)CCC(C)C=O;CPEGNTSAEWIAFJ-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315590;MM315590;C=COC1CC(CNC)C1;MPYNGOQZGKFSLB-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315591;MM315591;CNC(C)CCC(C)C#N;OBIOLTYLYFEJDS-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315592;MM315592;C=CCC1CC(NCC)C1;QBDSELLQVHGPLG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315593;MM315593;C=CC(O)CCC(C)NC;IJZNCPYXZRLBCP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315594;MM315594;CCNC1CC(NC=N)C1;YQMZBFGTVDPRAC-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315595;MM315595;CNC(C)CCC(F)C#N;VEGIJNAYMLAEFO-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315596;MM315596;CCNC1CC(NC=O)C1;LJGMTVBEXHOUDI-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315597;MM315597;C=CC(C)CCC(C)OC;YKOLQVQCLPLKRP-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315598;MM315598;C=NNC1CC(NCC)C1;IKKGMFGYWCELQU-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315599;MM315599;COC(C)CCC(C)C#N;QHWYUTUUCWOTOA-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315600;MM315600;C=COC1CC(NCC)C1;HYCFMOGTEVHVKQ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315601;MM315601;C=CC(N)CCC(C)OC;JFJKMTFLISHLBR-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315602;MM315602;C=NOC1CC(NCC)C1;FPWASVQTTKWWAE-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315603;MM315603;C=CC(O)CCC(C)OC;VLHOTSYTLWWQOI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315604;MM315604;CCOC1CC(CC#N)C1;WOIOZRZKIPNBQB-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315605;MM315605;COC(C)CCC(O)C=O;LIFAXZDUNRPKND-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315606;MM315606;C=NNC1CC(OCC)C1;BKCXMGCYGGSDAQ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315607;MM315607;COC(C)CCC(O)C#N;RFSKZXKMKQJGRM-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315608;MM315608;C=COC1CC(OCC)C1;BWDYZAPAXGWHEP-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315609;MM315609;C=CC(F)CCC(C)OC;TYRKSMHNQHQJDD-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315610;MM315610;C=NOC1CC(OCC)C1;RHEWAYQILMFFGB-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315611;MM315611;COC(C)CCC(F)C#N;XBRIUORXQPTMIZ-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315612;MM315612;C=CCC1CC(CCC)N1;VZZLPTNHIDOHNZ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315613;MM315613;C=CC(C)NCC(C)CC;YAZZVJUDFUYZAY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315614;MM315614;CCCC1CC(CC#N)N1;SHTUOQZSWQSBBV-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315615;MM315615;CCC(C)CNC(C)C=O;OOVMLNQQCNCTOS-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315616;MM315616;C=CCC1CC(CCN)N1;CYCCYLOMYJIEQV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315617;MM315617;CCC(C)CNC(C)C#N;IBTSNEDTOKSIJN-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315618;MM315618;O=CCC1CC(CCO)N1;JOWHJTHONWCHLC-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315619;MM315619;CC(CF)CNC(C)C=O;JYRGKZHOVREHAP-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315620;MM315620;C=CCC1CC(CNC)N1;GBQQEJXCPAYPHU-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315621;MM315621;CNCC1CC(CC#N)N1;VASNFWAZCNZMLN-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315622;MM315622;C=CC(C)NCC(N)CN;JDHIBHZXHQQQBG-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315623;MM315623;C=CCC1CC(CCC)O1;UNJKTPHXYXPMMB-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315624;MM315624;C=CC(C)NCC(N)CF;LDTMZPLDFIPUQO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315625;MM315625;CCCC1CC(CC=O)O1;BRENZAXKSILONK-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315626;MM315626;C=CC(C)NCC(O)CC;DHFKZXABWSIOKI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315627;MM315627;C=CCC1CC(CCN)O1;UKWTZUALKKNREV-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315628;MM315628;C=CC(C)NCC(O)CN;ALYHLCAPPULGNQ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315629;MM315629;C=CCN1CC(CCC)C1;HOTCEJYJSGCJLX-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315630;MM315630;C=CC(C)NCC(F)CC;JUOJPHMQUZNDLP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315631;MM315631;C=CCN1CC(CNC)C1;AEOLGJLPQDWPLC-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315632;MM315632;C=CC(C)NCC(F)CN;VXWYPSOMTZRQNT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315633;MM315633;CCCC1CN(NC=N)C1;NGQBYGDQZSVXCT-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315634;MM315634;CC(C#N)NCC(F)CF;PNBPKWIXGRAFSR-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315635;MM315635;CCCC1CN(NC=O)C1;JTZDNHPBICQONY-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315636;MM315636;C=CC(C)NCC(C)NC;ZXMHYBVUODSQMZ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315637;MM315637;N=CNN1CC(CCN)C1;BODQAGMYZDBZHL-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315638;MM315638;CNC(C)CNC(C)C=O;ZWJLLGPCELUKBX-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315639;MM315639;NCCC1CN(NC=O)C1;UTDNVXXEYOHLGP-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315640;MM315640;CNC(C)CNC(C)C#N;SEUKFOZYQKLLTD-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315641;MM315641;CNCC1CN(NC=N)C1;PBZSJWBNKPLMBX-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315642;MM315642;C=CC(C)NCC(C)OC;NWVUTXAZVFJDGE-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315643;MM315643;CNCC1CN(NC=O)C1;CYKNPBDFBQAFKA-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315644;MM315644;CCC(C)COC(C)C#N;FSZUBQKSAXZNJK-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315645;MM315645;CCNC1CN(NC=N)C1;XAJUFAPXLKJNHU-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315646;MM315646;CC(CO)COC(C)C=O;JVVCWMYFUQJGCX-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315647;MM315647;CCNC(=CC(N)=O)NC;SZIIUZHERIGOSR-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315648;MM315648;CC(C#N)OCC(O)CO;MFFILOCANUCWRD-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315649;MM315649;C=CCC1CN(CCN)C1;DOYDTNSYUQSSGU-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315650;MM315650;CC(C#N)OCC(O)CF;YUMDDBOOTABAIR-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315651;MM315651;C=CCC1CN(CCO)C1;KCPZBGOPUQSJLJ-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315652;MM315652;CC(C#N)OCC(F)CO;SKSAFMPANGHOFP-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315653;MM315653;CCCN1CC(NC=N)C1;RQVXQSDKKALAIW-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315654;MM315654;C=CC(C)OCC(C)NC;HVJRWYAVKQGNLK-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315655;MM315655;N=CNC1CN(CCN)C1;SWOCQJDSFCCCDZ-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315656;MM315656;COC(C)COC(C)C=O;NKVICKRHTWMCHD-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315657;MM315657;C=COC1CN(CCN)C1;SLCIBFVEVSHIAB-UHFFFAOYSA-N;142.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315658;MM315658;COC(C)COC(C)C#N;VHZUMLRUBWWGOA-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315659;MM315659;C#CCC1CC(CCC)C1;QPEASEWIXDADSH-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315660;MM315660;C=CC(C)CNC(C)CC;BHYMIGLBADDTCE-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315661;MM315661;C#CCC1CC(CCO)N1;NOJCTOTVDIYPTF-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315662;MM315662;CCC(C)NCC(C)C=O;BOZCNTINYHTJSB-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315663;MM315663;C#CCC1CC(CCN)O1;OQLJBMBFVPXXRW-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315664;MM315664;CCC(C)NCC(C)C#N;CPWYJGIYYTYJNG-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315665;MM315665;C#CCN1CC(OCC)C1;YDHFQOONOKOXCX-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315666;MM315666;CC(C=O)CNC(C)CO;WLKVXBKHNXWWDW-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315667;MM315667;C#CCC1CN(CCO)C1;RADLTMAESGBMTK-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315668;MM315668;C=CC(C)CNC(C)CF;QCRPZPIXTLPNRY-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315669;MM315669;C=CCC1CC(CC=C)C1;PBWXAJLUSNSADH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315670;MM315670;CC(C=O)CNC(C)CF;CZFWRGJRJZEMOA-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315671;MM315671;C=CCC1CC(CC=O)C1;QHIUGPIBFQKVHW-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315672;MM315672;C=CC(N)CNC(C)CC;RULGVFYUAKRBPN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315673;MM315673;C=CCC1CC(CC#N)C1;JSFFXSHTNIVBAC-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315674;MM315674;C=CC(O)CNC(C)CC;AZGCOGIXHZXBHU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315675;MM315675;N#CCC1CC(CC=O)C1;KKQPXNVVMVCYOM-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315676;MM315676;C=CC(O)CNC(C)CN;DIUOUOCXVKLZMD-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315677;MM315677;N#CCC1CC(CC#N)C1;RZBYDSIOTLRGIF-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315678;MM315678;C=CC(F)CNC(C)CN;PONLRVNBKNQFBL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315679;MM315679;C=CCC1CC(NC=N)C1;HRIOXSQAFDBNIS-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315680;MM315680;CC(CCCCO)C1CC1;ZJUUFRFPKSWOPH-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315681;MM315681;CC(=O)CC=NNCC#N;RPVPVUQZLTUXSE-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315682;MM315682;CC(C=O)COC(C)CO;PWUAFFFRMKDLLI-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315683;MM315683;N#CCC1CC(NC=O)C1;NOLJKHOMSSTITL-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315684;MM315684;CC(C#N)COC(C)CF;YGKCWJXULJZFLV-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315685;MM315685;C=CCC1CC(NN=C)C1;OPZHUOYCPOUBID-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315686;MM315686;C=CC(N)COC(C)CC;GGXQIQBEFRDYDO-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315687;MM315687;C=NNC1CC(CC#N)C1;UDIDRTFMINIJSO-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315688;MM315688;CCC(C)OCC(O)C#N;IUIMFLPTLIMCEG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315689;MM315689;C=CCC1CC(OC=C)C1;UOOLIIVUHXDOQG-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315690;MM315690;C=CC(O)COC(C)CN;ISKYSRDOJUYLKP-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315691;MM315691;C=COC1CC(CC=O)C1;URFZYWLFWIJRHM-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315692;MM315692;C=CC(O)COC(C)CO;UBLPNJQJJXIJGC-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315693;MM315693;C=COC1CC(CC#N)C1;ZURNSDSVBYCUPZ-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315694;MM315694;CC(CO)OCC(O)C#N;FFZSYHPXYHEEKW-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315695;MM315695;C=CCC1CC(ON=C)C1;VYWDWADYFOXDDT-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315696;MM315696;CC(CO)OCC(F)C#N;NDFKFLSROOHUPS-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315697;MM315697;N=CNC1CC(NC=N)C1;NPKFECMFQVCJEU-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315698;MM315698;COC(C)OCC(C)C=O;BIKGTXLDPXKXGZ-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315699;MM315699;CON=C(CC#N)C(C)F;VTKOWDYQPXFBTL-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315700;MM315700;C=CC(F)COC(C)OC;GLBRZTRDVYGXOI-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315701;MM315701;C=COC1CC(OC=C)C1;JTFJFWRNPQXDAG-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315702;MM315702;CCC(C)CCN(C)C=N;SDKKAIAVJNJXIS-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315703;MM315703;C=COC1CC(ON=C)C1;KISXAAYQJQHWLX-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315704;MM315704;CCC(C)CCN(C)C=O;AABJBIZCDUTIPJ-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315705;MM315705;C=CCC1CC(CC#N)N1;DOGXFBZNXGZLSP-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315706;MM315706;CC(CN)CCN(C)C=O;CSKJRKCBCQNWRR-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315707;MM315707;N#CCC1CC(CC#N)N1;MJHNRFZZMAVZGA-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315708;MM315708;CC(CO)CCN(C)C=O;HQTSJTWEIFSVRA-UHFFFAOYSA-N;145.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315709;MM315709;N#CCC1CC(CC#N)O1;JVONCFQNXVBQKP-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315710;MM315710;CC(CF)CCN(C)C=N;YMZUQCSQYXACTC-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315711;MM315711;C=CCC1CN(CC=C)C1;FTMANIWZTSPYKU-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315712;MM315712;C=CCC1CN(CC#N)C1;LJQJGLVELJKFAB-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315713;MM315713;CCC(C)CCN(N)C=N;RKYZMUYOZPOKAG-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315714;MM315714;N#CCC1CN(CC#N)C1;QPRSDPYCDNFYGK-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315715;MM315715;CCC(C)CCN(N)C=O;XIXOSMNCKAMDJQ-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315716;MM315716;C=CCC1CN(NC=N)C1;UGYJQTIUVCUJCC-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315717;MM315717;C=CC=CC(O)C=C;SNQRJDPKQWFNEX-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315718;MM315718;CC(CF)CCN(N)C=N;OSJBKRWAZPJHSG-UHFFFAOYSA-N;147.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315719;MM315719;C=CCC1CN(NC=O)C1;GTVALRKSGSVORC-UHFFFAOYSA-N;140.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315720;MM315720;CCC(C)CCN(O)C=O;GNLBHVBKHOBTQC-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315721;MM315721;N#CCC1CN(NC=O)C1;OZXXETJFCLPBMX-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315722;MM315722;CC(CN)CCN(O)C=O;ONRXFDGLHHYZMQ-UHFFFAOYSA-N;146.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315723;MM315723;C=CCN1CC(NC=N)C1;ZWWNJMUVUYKYCP-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315724;MM315724;CC(CO)CCN(O)C=N;KPEYBPRGZMLNBF-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315725;MM315725;C=CCN1CC(NN=C)C1;MRHDHSBKGXXPHF-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315726;MM315726;CC(CO)CCN(O)C=O;ZIFBJZJOSPOYBT-UHFFFAOYSA-N;147.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315727;MM315727;C=NNC1CN(NC=N)C1;OMARZWYFCIELIA-UHFFFAOYSA-N;141.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315728;MM315728;CCC(N)CCN(C)C=O;VOGMQUHULBJCRO-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315729;MM315729;C=COC1CN(CC#N)C1;QANUVVNRRJOLIO-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315730;MM315730;CN(C=N)CCC(N)CN;BOTXYXLLRMGIOP-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315731;MM315731;C=COC1CN(NC=N)C1;OIHRPPACSCDGSO-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315732;MM315732;CN(C=O)CCC(N)CO;AGNCWDCGBOQXLJ-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315733;MM315733;C=COC1CN(NC=O)C1;WDTPYHJNHXAKFZ-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315734;MM315734;CCC(N)CCN(O)C=N;WMETVBJCHOZFGV-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315735;MM315735;C=C(CO)CCC(C)=NN;KJNWHNYMAWEDKN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315736;MM315736;C#CCC1CC(CC=C)C1;YLLLCLSVEBOONK-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315737;MM315737;N=CN(O)CCC(N)CN;GKFFAUSAMXDSPM-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315738;MM315738;C#CCC1CC(CC=O)C1;WCGHRJZNAQLCMA-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315739;MM315739;CCC(O)CCN(C)C=O;LIMIGUNVNRSBIP-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315740;MM315740;C#CCC1CC(CC#N)C1;AFVBURASLCSCDS-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315741;MM315741;CN(C=N)CCC(O)CN;PGKJYZGPHYAZRY-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315742;MM315742;C#CCC1CC(NC=N)C1;HBJZSVZAFJMIPZ-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315743;MM315743;CN(C=O)CCC(O)CN;VHLVLZJLUBPWIO-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315744;MM315744;C#CCC1CC(NN=C)C1;FJMWPTLVCQGAID-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315745;MM315745;CN(C=N)CCC(O)CO;BJWGUKGVCRKIQT-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315746;MM315746;C#CCC1CC(OC=C)C1;BINRGQRVJMAXQR-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315747;MM315747;CN(C=N)CCC(O)CF;AJMARLRINQRWKU-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315748;MM315748;C#CCC1CC(OC=O)C1;IWWFZHKTJHRSGT-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315749;MM315749;CCC(O)CCN(O)C=N;YMPOPGYWKHEPIU-UHFFFAOYSA-N;146.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315750;MM315750;C#CCC1CC(CC=O)N1;OEGFHMPPFJHRBH-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315751;MM315751;C=NN(C)CCC(C)CC;LFSZBXKDRUYTDX-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315752;MM315752;C=NN(C)CCC(C)CN;HNKDJNOHPIWCDK-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315753;MM315753;C=CCNN(C)C(=O)CF;DDSVPXYAQVYSAK-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315754;MM315754;C=NN(C)CCC(C)CF;GKKRKRVYGQXVHM-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315755;MM315755;C#CCC1CN(CC=C)C1;DANDPECFHSORQC-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315756;MM315756;C=NN(C)CCC(O)CN;TXZSAWSIPNCKBZ-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315757;MM315757;C#CCC1CN(NC=N)C1;FQTRKFWIKRCFPR-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315758;MM315758;C=NN(C)CCC(F)CC;BEJNORRMZVRUSX-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315759;MM315759;C#CCC1CC(CC#C)C1;XLKILCJMOJGKQL-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315760;MM315760;CNC(C)CCN(C)C=N;FUXHYVZESAFHJN-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315761;MM315761;C#CCC1CC(CC#C)N1;TYUDZOYRVTYBKB-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315762;MM315762;CNC(C)CCN(N)C=N;UNLDJONYIFSZCA-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315763;MM315763;C#CCC1CC(CC#C)O1;OHMCPJFRBVLSRM-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315764;MM315764;CNC(C)CCN(O)C=O;ADSMSQDLGMLEMG-UHFFFAOYSA-N;146.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315765;MM315765;CC=CC1CC(CCC)C1;WXGPDURZOVUERJ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315766;MM315766;C=NN(C)CCC(C)NC;GWAHOPAQXQYPLZ-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315767;MM315767;CC=CC1CC(CCN)C1;MXDZDMIACDTONK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315768;MM315768;COC(C)CCN(N)C=N;BZFJJDDYPJVDQX-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315769;MM315769;C=NN=CCCC(=C)CO;HZRXZPSVWDWHPK-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315770;MM315770;COC(C)CCN(N)C=O;SXTYFRLFNDVXDO-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315771;MM315771;CCCC1CC(C=NN)C1;HWIQQBXYMFDFNM-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315772;MM315772;CCC(C)CNN(C)C=O;JLFXUOAZSUIATA-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315773;MM315773;CNN=CCC=C(C)CO;OKHSUIACQWBOMO-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315774;MM315774;CC(CN)CNN(C)C=N;IRVDZUSSZJSPBS-UHFFFAOYSA-N;144.22;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315775;MM315775;CC=CC1CC(CNC)C1;ZJBQAVQIVNPASA-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315776;MM315776;CC(CN)CNN(C)C=O;VYDNAPIQBKCWJX-UHFFFAOYSA-N;145.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315777;MM315777;CNCC1CC(C=NN)C1;BSNXLABEGJUMKB-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315778;MM315778;CCC(N)CNN(C)C=N;SFSLVPYVGQWMQO-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315779;MM315779;CC=CC1CC(NCC)C1;WQEPVISKTWPTCN-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315780;MM315780;CN(C=O)NCC(N)CN;RJODAGVEKAPPJS-UHFFFAOYSA-N;146.19;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315781;MM315781;CCNC1CC(C=NN)C1;GGHXPTMKAQMEME-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315782;MM315782;CN(C=N)NCC(N)CO;QHNZVFSKXJSVIV-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315783;MM315783;CC=CC1CC(CCC)N1;SVLQHNGMJHHDLZ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315784;MM315784;CN(C=O)NCC(N)CO;ZLIDQUDWHRAHHZ-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315785;MM315785;CC=CC1CC(CCN)N1;YDJFJGYWQYQMAY-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315786;MM315786;CCC(O)CNN(C)C=N;LUDFBDQJNAWCKF-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315787;MM315787;NCCC1CC(C=CF)N1;ZKPCNXZIWFPVDN-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315788;MM315788;C=CC(CC)C(N)=O;BEBMTVPHAJLNHC-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315789;MM315789;CC=CC1CC(CCO)N1;XXLMHWOTZSVADB-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315790;MM315790;CN(C=N)NCC(O)CN;CBGRKEGEEHLPDY-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315791;MM315791;CC=CC1CC(CCN)O1;QRIYXZLGGIARRW-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315792;MM315792;CN(C=O)NCC(O)CN;XAAGCDQONWSZDF-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315793;MM315793;CCCC1CN(C=NC)C1;BNYNTJCCSCBANA-UHFFFAOYSA-N;140.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315794;MM315794;CC#CCCCCO;NVDRTKDQNXWZSY-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315795;MM315795;CCCC1CN(C=NN)C1;HBVIMIBTFGCFFG-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315796;MM315796;CC(C)(C)CCNC=O;QOCXLGWYHYULLD-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315797;MM315797;CN=CN1CC(CCN)C1;KRLUAPIRFKEOCV-UHFFFAOYSA-N;141.22;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315798;MM315798;CC(CF)CON(C)C=O;UUTMWBWBUCHUHM-UHFFFAOYSA-N;149.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315799;MM315799;CN=CN1CC(CCO)C1;NHPBFOLVHJMKTA-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315800;MM315800;CCC(N)CON(C)C=N;SZOLOPJNNVVSBP-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315801;MM315801;CCC(N)CON(C)C=O;SWOKBJYUJLPQFY-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315802;MM315802;NN=CN1CC(CCO)C1;XYDLNSHLQHXDNO-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315803;MM315803;CN(C=N)OCC(N)CF;LRBUUXQOVLCWKE-UHFFFAOYSA-N;149.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315804;MM315804;CN=CN1CC(CNC)C1;ZXNMOAWYNQGCNY-UHFFFAOYSA-N;141.22;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315805;MM315805;CCC(O)CON(C)C=N;VZGNFXPSXJKVSG-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315806;MM315806;CNCC1CN(C=NN)C1;SDRJXEXEHJJJHA-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315807;MM315807;CCC(O)CON(C)C=O;WRFFEYIYBTZEBF-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315808;MM315808;CC=NN1CC(CCC)C1;XYKFBKFGOHBCTO-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315809;MM315809;CN(C=N)OCC(O)CO;WMNJLLWCRBSUQK-UHFFFAOYSA-N;148.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315810;MM315810;CC=NN1CC(CCN)C1;PUZZBENQQOMCJH-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315811;MM315811;CN(C=N)OCC(O)CF;PLCCBSPOAZLLQK-UHFFFAOYSA-N;150.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315812;MM315812;CON=C(CF)NCC=O;CEAMRVYBYSVXLP-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315813;MM315813;CN(C=N)OCC(F)CN;BBRIRJRMAFIOGH-UHFFFAOYSA-N;149.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315814;MM315814;CC=NN1CC(CNC)C1;JRCYQVMQCSCQHM-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315815;MM315815;CNC(C)CON(C)C=O;UQUICJDNRBFAEG-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315816;MM315816;CCNC1CN(C=NC)C1;ALHHDNVGNYOOAV-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315817;MM315817;COC(C)CON(C)C=N;IIIWQQHOGYDKTK-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315818;MM315818;CC=CC1CN(CCC)C1;HTWJRXBWUPVTSB-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315819;MM315819;C=CC(C)CCN(C)CC;VFNVAUMQXMVPJN-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315820;MM315820;CC=CC1CN(CCN)C1;IIJVUYQKZMULLW-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315821;MM315821;CCN(C)CCC(C)C=O;ICIBRVRHCPJWHG-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315822;MM315822;NCCN1CC(C=NO)C1;BINWBFZTHSIMIH-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315823;MM315823;C=CCC1CC(C=CC)C1;WMVLLMLAFASGRS-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315824;MM315824;CCN(C)CCC(C)C#N;QWVGCUDXWCKHRB-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315825;MM315825;C=CC(O)CCN(C)CC;OZIXTUVCOOEHFW-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315826;MM315826;CC=CC1CC(CC=O)C1;BYTCCAYOTCCRKL-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315827;MM315827;CCN(C)CCC(O)C=O;VLSJJNVHUUHRHB-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315828;MM315828;CC=CC1CC(CC#N)C1;CQCFNXALFGFKQG-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315829;MM315829;C=CC(F)CCN(C)CC;CKXOOOKLZYUBKP-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315830;MM315830;C=CCC1CC(C=NN)C1;FILMZBYXMIDIHP-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315831;MM315831;CCN(C)CCN(C)C=N;BIDQVIBNTDFWDR-UHFFFAOYSA-N;143.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315832;MM315832;CC=CC1CC(OC=O)C1;WWZOZAKKNJCAEM-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315833;MM315833;CCN(C)CCN(O)C=N;PEJXKYLRZXSFPT-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315834;MM315834;C=CCC1CC(C=CC)N1;JDFBWIXIEYSBIW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315835;MM315835;C#CC(C)CCC(C)CC;SHUQJSIPNNRIDP-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315836;MM315836;C=CCC1CC(C=CC)O1;BDYLHVMPBISUJE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315837;MM315837;C#CC(C)CCC(C)CN;OCBFNWGMSGPDNL-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315838;MM315838;C=CCC1CN(C=NC)C1;ZWKSAWVKMLGYQD-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315839;MM315839;C#CC(C)CCC(C)CF;PPYLWCHJHJJWQX-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315840;MM315840;CN=CN1CC(CC=O)C1;ZEPXKMMTEFVTMN-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315841;MM315841;C#CC(N)CCC(C)CC;UHNPAPQZBLWBBH-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315842;MM315842;CN=CN1CC(CC#N)C1;TXMXTKNVMUEKGY-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315843;MM315843;C#CC(N)CCC(C)CO;ZTIRBUWBHYIVTN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315844;MM315844;C=CC(C=C)CCNC=O;HTZVAWUUVJRJNF-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315845;MM315845;C#CC(N)CCC(C)CF;JGGFRXWXPQQAJL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315846;MM315846;C=CCC1CN(N=CC)C1;HMOONNPHCLNVCT-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315847;MM315847;C#CC(O)CCC(C)CC;RZPKSEXPSDEGSO-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315848;MM315848;C=COc1cc(NC)no1;UTLOMOGIVFVIKO-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315849;MM315849;C#CC(O)CCC(C)CN;HSFZWJIGQOFDIW-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315850;MM315850;CC=NN1CC(CC#N)C1;URUDMDFDRIZFEH-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315851;MM315851;C#CC(O)CCC(C)CO;CLOBDEZCASBGSS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315852;MM315852;C#CC(O)CCC(C)CF;KGSIQIBXPVMZDS-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315853;MM315853;N=CNC1CN(C=NO)C1;SKRQGHWLHZOQNS-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315854;MM315854;C#CC(F)CCC(C)CN;XYKDQLDWOCAAGR-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315855;MM315855;C=COC1CN(C=NC)C1;GPGINHJFVBHMPZ-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315856;MM315856;C#CC(C)CCC(N)CC;LZUBLELVALVDJU-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315857;MM315857;OCC1=CC2CC2(CO)C1;CCKKDAGAGIMQRW-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315858;MM315858;C#CC(C)CCC(N)CN;AUVRNQVGUCFCAY-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315859;MM315859;C=COC1CN(N=CC)C1;JENCKWFYYLLWIZ-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315860;MM315860;C#CC(N)CCC(N)CC;XTDYVEXWYJYLKN-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315861;MM315861;C=NOC1CN(N=CC)C1;JBYKTRYDWPZCIC-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315862;MM315862;C#CC(N)CCC(N)CO;GSKADDCYTFYRBV-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315863;MM315863;CC=CC1CN(CC#N)C1;NNTRIHNROJEGHQ-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315864;MM315864;C#CC(N)CCC(N)CF;IZGRRHBQGZGDQH-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315865;MM315865;CC=CC1CN(NC=N)C1;AVIDTLAUWRUAJN-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315866;MM315866;C#CC(O)CCC(N)CF;DOPSJVCLJZHRPW-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315867;MM315867;C#CC(F)CCC(N)CN;DXVHRTKZKQOCNE-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315868;MM315868;CC=CC1CN(NC=O)C1;DINAMHYANAAOAF-UHFFFAOYSA-N;140.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315869;MM315869;C=C(C)C(C)(C)C(N)=O;JYGBQHSZFYPWID-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315870;MM315870;N=CNN1CC(C=NN)C1;FWTMMGLKKOJQSB-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315871;MM315871;C#CC(C)CCC(O)CO;HNTYAGHMAXTEDK-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315872;MM315872;C#CCC1CC(C=CC)C1;LTTZDZXBKFKXGE-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315873;MM315873;C#CC(C)CCC(O)CF;PUYFTMYLIJJUHO-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315874;MM315874;C#CCC1CC(C=NN)C1;GFLDKAPHXFGZNU-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315875;MM315875;C#CC(N)CCC(O)CC;KOXRQMHPWOSSDV-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315876;MM315876;C#CCC1CC(C=CC)N1;YUBORAZYAIOBRQ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315877;MM315877;C#CC(N)CCC(O)CN;ODZKNDSFRBKVSR-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315878;MM315878;C#CCC1CN(C=NC)C1;PWUPQLSXENFOHL-UHFFFAOYSA-N;136.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315879;MM315879;C#CC(N)CCC(O)CF;CHRCCMPZOCYTCB-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315880;MM315880;C#CCC1CN(N=CC)C1;BLNSEWFJBBHHFA-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315881;MM315881;C#CC(O)CCC(O)CC;QRGSBUAPRKNQAE-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315882;MM315882;CC#CC1CC(CCC)C1;LZCDBBAGVFJDKY-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315883;MM315883;C#CC(O)CCC(O)CF;FUFOXRXBPMQNEL-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315884;MM315884;CC#CC1CC(CCN)C1;CLCVZCZIBMFWBX-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315885;MM315885;C#CC(F)CCC(O)CO;YTNOXRPTFWZAIL-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315886;MM315886;CC#CC1CC(CNC)C1;PHQHMGQXQMQPRB-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315887;MM315887;C#CC(C)CCC(F)CC;YCHROWOZGFXCAQ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315888;MM315888;CC#CC1CC(NCC)C1;LHTOAGBGZODVMD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315889;MM315889;C#CC(C)CCC(F)CN;WHSAALJXRGBQQB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315890;MM315890;CC#CC1CC(CCC)N1;BDBUVJWPJKWUOB-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315891;MM315891;C#CC(C)CCC(F)CO;OZMQOEHPJOJVNY-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315892;MM315892;CC#CC1CC(CCN)N1;MVLHYONOGLLHLR-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315893;MM315893;C#CC(N)CCC(F)CC;YIHCOYYZJIWQDP-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315894;MM315894;CC#CC1CC(CCO)N1;YTCOCVIROLEOMY-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315895;MM315895;C#CC(O)CCC(F)CN;NDLVWFNVUDUREA-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315896;MM315896;CC#CC1CC(CCC)O1;JZQVBEOWZZOKEF-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315897;MM315897;C#CC(F)CCC(F)CC;HSRLZNAYNVTIOR-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315898;MM315898;CC#CC1CN(CCN)C1;XUGCFJDPZUIBHR-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315899;MM315899;C=CCC1CC(C#CC)C1;XKHIAWUPUNMIFW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315900;MM315900;C#CC(F)CCC(F)CF;LFACDLFGLIIBRK-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315901;MM315901;CC#CC1CC(CC=O)C1;MTFRVIRVOVPZFC-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315902;MM315902;C#CC(C)CCC(C)NC;GZHDTPPLLJBJAP-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315903;MM315903;CC#CC1CC(CC#N)C1;FRNHAFCALFLRQO-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315904;MM315904;C#CC(C)CCC(C)OC;HXDREZFTEBCTMQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315905;MM315905;C=NNC1CC(C#CC)C1;QUZHBKGAMIVWTM-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315906;MM315906;C#CC(F)CCC(C)OC;SELNNICSXUBUGN-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315907;MM315907;C=COC1CC(C#CC)C1;JECYAZUQKOICRF-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315908;MM315908;C#CC(C)NCC(C)CC;NAAQRASCLJXCCZ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315909;MM315909;C=NOC1CC(C#CC)C1;CSMCHTGYRQBVMZ-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315910;MM315910;C#CC(C)NCC(C)CF;IDROYEHXIIFQTC-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315911;MM315911;C=CCC1CC(C#CC)N1;YARFVWVLMGFCGR-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315912;MM315912;C#CC(C)NCC(N)CC;WTNIEMGWMUJJBG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315913;MM315913;CC#CC1CC(CC=O)N1;OAFRUOJMLURMOO-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315914;MM315914;C#CC(C)NCC(O)CN;BHGDGUSWMZDUAE-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315915;MM315915;CC#CC1CC(CC#N)O1;UFDXUVSQTDNWQY-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315916;MM315916;C#CC(C)OCC(C)CC;QLUSMHHXEPSRHK-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315917;MM315917;CC#CC1CN(CC#N)C1;JCCGLESCYKXSTI-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315918;MM315918;C#CC(C)OCC(C)CN;CJJMZRJRYJYUIX-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315919;MM315919;CC#CC1CN(NC=N)C1;ZLLQHNVQXSMAGK-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315920;MM315920;C#CC(C)OCC(N)CC;FORUEGWFNQJTMU-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315921;MM315921;C#CCC1CC(C#CC)C1;NZYJNYMFTYKVAP-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315922;MM315922;C#CC(C)OCC(N)CO;RARLRKVVFDLGQP-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315923;MM315923;C#CCC1CC(C#CC)N1;OPBVOOXUIAEENF-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315924;MM315924;C#CC(C)OCC(N)CF;QPBJCFQCIQXPKJ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315925;MM315925;C#CCC1CC(C#CC)O1;VPNORLBIOAEHKW-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315926;MM315926;C#CC(C)OCC(O)CN;NIKIGIFGBUPVAP-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315927;MM315927;CC=CC1CC(C=NO)C1;PETPQXVIIWZOQS-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315928;MM315928;C#CC(C)OCC(O)CO;DSUSXVHXSJZPII-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315929;MM315929;CC=CC1CC(C=CC)O1;IBYXQWICYOGYTL-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315930;MM315930;CC=CC1CN(C=NC)C1;BJXJTLFACZWPTB-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315931;MM315931;C#CC(C)OCC(F)CN;ZTHDNXQFNHELQT-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315932;MM315932;N=Cn1onc(NN)c1=O;ILRIXDOYYGRWBD-UHFFFAOYSA-N;143.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315933;MM315933;C#CC(C)OCC(C)OC;PAADLSPKMNKTRP-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315934;MM315934;CC=CC1CN(N=CC)C1;BLMDDWNFTYXZCO-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315935;MM315935;C#CC(C)CNC(C)CC;GFKHKCNUJCRXFG-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315936;MM315936;CC#CC1CC(C=CC)C1;AWNLZXYTOXLDBK-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315937;MM315937;C#CC(C)CNC(C)CN;SJMSRXGOGROSDT-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315938;MM315938;CC#CC1CC(C=NN)C1;YARRWFARUCISJJ-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315939;MM315939;C#CC(C)CNC(C)CF;ZODYUPSFVPQGRW-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315940;MM315940;CC#CC1CC(C=NO)C1;FHAMLKIPDPFCMC-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315941;MM315941;C#CC(N)CNC(C)CF;JTWRPDNRGAARIJ-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315942;MM315942;CC#CC1CC(C=CC)N1;BINVYKGBJOFWCL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315943;MM315943;C#CC(O)CNC(C)CC;VVIOEJZIKLOVST-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315944;MM315944;CC#CC1CC(C=CC)O1;WVCBWNZQIOEFFB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315945;MM315945;C#CC(F)CNC(C)CC;NPZSSPIPXTYJJU-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315946;MM315946;CC#CC1CC(C=NN)O1;YQPZCVMDYAPRCF-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315947;MM315947;C#CC(F)CNC(C)CN;ODOVJXRQWNKXFD-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315948;MM315948;CC#CC1CN(C=NC)C1;VZBWBHQQYJBEQB-UHFFFAOYSA-N;136.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315949;MM315949;C#CC(C)COC(C)CN;DCASMBGNHTVIBR-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315950;MM315950;CC#CC1CN(N=CC)C1;ANVFOUWINZIPSR-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315951;MM315951;C#CC(C)COC(C)CO;QJOHJWWLFTVUAP-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315952;MM315952;CC#CC1CC(C#CC)C1;FKRSWGQWBBJIIE-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315953;MM315953;C#CC(N)COC(C)CO;IWJQFRZJLMZPMC-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315954;MM315954;CC#CC1CC(C#CC)O1;BIPGXWIOJSEPTR-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315955;MM315955;C#CC(N)COC(C)CF;RPSPGFPYUJAHDF-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315956;MM315956;CC(C)CC1CC1CC#N;BRZQKMITBDQDBX-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315957;MM315957;C#CC(O)COC(C)CO;FSEUHUQUFGCASV-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315958;MM315958;C#CC(F)COC(C)CO;PVVWJCJRXIGQGW-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315959;MM315959;CN=CN1CC1C=C(F)F;LTQDSEUJTNINML-UHFFFAOYSA-N;146.14;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315960;MM315960;C#CC(C)COC(C)OC;ONTQYAUMNIGKHA-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315961;MM315961;CCCn1oc(=O)oc1=N;TVWGQSSQOOKCLS-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315962;MM315962;C#CC(F)COC(C)OC;NBKFJUOOKINJBE-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315963;MM315963;C=CC=CCCCNC=O;FVHLWDXYKBNOPY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315964;MM315964;C#CC(C)CCN(C)CC;ZASYZYADXTUBTI-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315965;MM315965;N=c1oc(=O)on1CCF;FZALZISRTQJSJB-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315966;MM315966;C#CC(N)CCN(C)CC;DNRIWPMMKHZRNB-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315967;MM315967;CCCn1oc(=O)oc1=O;JQQUDTPEFUUJCS-UHFFFAOYSA-N;145.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315968;MM315968;C#CC(F)CCN(C)CC;DCRVGQIVKZDZMP-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315969;MM315969;NCCn1oc(=O)oc1=O;RBFQPTUOJWTMCD-UHFFFAOYSA-N;146.1;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315970;MM315970;CC(C#N)CCC(C)C=O;USYJAADNEJJEBR-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315971;MM315971;O=c1oc(=O)n(CCO)o1;XWNWSEONTYXMTJ-UHFFFAOYSA-N;147.09;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315972;MM315972;CC(C#N)CCC(C)C#N;OJAINTHUXHKETM-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315973;MM315973;O=c1oc(=O)n(CCF)o1;XMQONYBBCOVMQT-UHFFFAOYSA-N;149.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315974;MM315974;C=C(C)C#CCC(C)O;ISBXAXQCXXKEHA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315975;MM315975;CCNn1oc(=O)oc1=O;SEUGQQQYVPTNBP-UHFFFAOYSA-N;146.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315976;MM315976;C=CC(C)(CC)C(N)=O;VFYKLWCFJLTRQP-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315977;MM315977;CCOn1oc(=O)oc1=N;RCLFLVALMAIQFP-UHFFFAOYSA-N;146.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315978;MM315978;CC(C#N)CCC(O)C#N;IUOCNDOUHSJEKP-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315979;MM315979;CCOn1oc(=O)oc1=O;NXJTXWJEPVGFAT-UHFFFAOYSA-N;147.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315980;MM315980;C=CC(C)CCC(F)C=C;FPVJKSNWBVFRLS-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315981;MM315981;C=CCn1oc(=O)oc1=N;VXFXXOBYCVNFEH-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315982;MM315982;C=CC(C)CCC(F)C#N;BESFJBFUHYAHKX-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315983;MM315983;CN=C1NN=C(C=O)CO1;AKMWXBDXJJFOOP-UHFFFAOYSA-N;141.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315984;MM315984;C=CC(F)CCC(C)C=O;PQWSDEXGPOFYJM-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315985;MM315985;N#CCn1oc(=O)oc1=N;OTVMYRNHLJHHLP-UHFFFAOYSA-N;141.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315986;MM315986;CC(C=O)CCC(F)C#N;LJAHFMDLRSRIBX-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315987;MM315987;C=CCn1oc(=O)oc1=O;RXXOOHGIYHRJNX-UHFFFAOYSA-N;143.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315988;MM315988;C=CC(O)CCC(O)C=C;PAWKNQDIXPJKSO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315989;MM315989;O=CCn1oc(=O)oc1=O;LSTWQZQBAPFUBT-UHFFFAOYSA-N;145.07;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315990;MM315990;C=CC(O)CCC(O)C=O;QVFAIDDFGLUKMZ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315991;MM315991;N#CCn1oc(=O)oc1=O;GESGDOHNGQEPHP-UHFFFAOYSA-N;142.07;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315992;MM315992;C=CC(O)CCC(O)C#N;SJYZSFZVZIYXAI-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315993;MM315993;N=c1oc(=O)on1NC=O;JFRALICDBNQUDK-UHFFFAOYSA-N;145.07;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315994;MM315994;O=CNn1oc(=O)oc1=O;FMCQLOPOSSJEPO-UHFFFAOYSA-N;146.06;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315995;MM315995;O=CC(O)CCC(O)C=O;YVSPSQGFWJIWGW-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315996;MM315996;C=COn1oc(=O)oc1=N;IWDGYDLZYKVGHT-UHFFFAOYSA-N;144.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315997;MM315997;N#CC(O)CCC(O)C#N;FNRQXBPPBUECCY-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315998;MM315998;N=c1oc(=O)on1OC=O;UEGJMOVCUWQDEU-UHFFFAOYSA-N;146.06;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM315999;MM315999;C=CC(O)CCC(F)C#N;FRIFFBFWSJEGDL-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316000;MM316000;C=COn1oc(=O)oc1=O;FSKXIFBZRJCBHQ-UHFFFAOYSA-N;145.07;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316001;MM316001;N#CC(O)CCC(F)C#N;CQSFDONFBLUWLT-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316002;MM316002;O=COn1oc(=O)oc1=O;GHSXYQSIRPWEQH-UHFFFAOYSA-N;147.04;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316003;MM316003;C=CC(F)CCC(F)C=C;AJGYINOPZOSYCW-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316004;MM316004;C#CCn1oc(=O)oc1=N;KYEFDDYGDVOMSD-UHFFFAOYSA-N;140.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316005;MM316005;C=CC(F)CCC(F)C=O;RTZSZYBUNPIMSB-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316006;MM316006;C#CCn1oc(=O)oc1=O;PFKBAPKQAQWHMX-UHFFFAOYSA-N;141.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316007;MM316007;N#CC(F)CCC(F)C#N;JHNAWVJRHDQGRR-UHFFFAOYSA-N;144.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316008;MM316008;CC=Cn1oc(=O)oc1=N;RQKPYKHLFHCOJF-UHFFFAOYSA-N;142.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316009;MM316009;C=CC(C)CNC(C)C=C;ZWYLPRHXUHOCSP-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316010;MM316010;N=c1oc(=O)on1C=CF;NXZDKJZZKHUTHO-UHFFFAOYSA-N;146.08;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316011;MM316011;C=CC(C)CNC(C)C=O;QUNGKRWAOHAIIZ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316012;MM316012;CC=Cn1oc(=O)oc1=O;FRMGPYWHGFHCCV-UHFFFAOYSA-N;143.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316013;MM316013;C=CC(C)CNC(C)C#N;OAFRGCQAYAFLOP-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316014;MM316014;O=c1oc(=O)n(C=CF)o1;PVIXOYGQQGRWCD-UHFFFAOYSA-N;147.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316015;MM316015;C=CC(C)NCC(C)C=O;WIKSLNGLNXBTKE-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316016;MM316016;CN=Cn1oc(=O)oc1=N;ZARDKOWDJFLCFO-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316017;MM316017;C=CC(N)CNC(C)C=C;GOOLHYFNZRUUBV-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316018;MM316018;O=CC1CC=NO1;VOMZEVMQGRZHBC-UHFFFAOYSA-N;99.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316019;MM316019;CC1(C#N)CC(CO)C1;YWUJYMBVOFQRKL-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316020;MM316020;N=c1oc(=O)on1C=NO;CZKOXEAXIYOQSY-UHFFFAOYSA-N;145.07;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316021;MM316021;C=CC(C)NCC(O)C=O;XFTSUCSFVRYNQP-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316022;MM316022;CN=Cn1oc(=O)oc1=O;IUQXVSLTVLXJGV-UHFFFAOYSA-N;144.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316023;MM316023;C=CC(C)=C(C)C(N)=O;NQNWFIJUAFMALL-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316024;MM316024;NN=Cn1oc(=O)oc1=O;FBHBSKRUSMWUIP-UHFFFAOYSA-N;145.07;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316025;MM316025;C=NNCC(F)C(C)=O;NQIWDXYLMFXWEN-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316026;MM316026;O=c1oc(=O)n(C=NO)o1;NTFZWVRVPLSTRU-UHFFFAOYSA-N;146.06;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316027;MM316027;CC(C#N)NCC(F)C#N;ZVXZQIHDJBEZPB-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316028;MM316028;CC=Nn1oc(=O)oc1=N;PSZKWHKLBWMYGZ-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316029;MM316029;C=CC(C)OCC(C)C#N;APEIXOBNEFABFY-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316030;MM316030;CC=Nn1oc(=O)oc1=O;JEWVMZIHGHNUQY-UHFFFAOYSA-N;144.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316031;MM316031;CCN=c1oc(=O)on1C;HWSPBIWIPXNICQ-UHFFFAOYSA-N;144.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316032;MM316032;CC(C=O)COC(C)C=O;CXDPTMZYIPTASM-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316033;MM316033;CCN=c1oc(=O)on1N;YGWIIAQJQHWJQI-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316034;MM316034;CC(C#N)COC(C)C#N;KEHUXNBHPZIQGZ-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316035;MM316035;C=CC(C)(C)CNC=O;FTTHDSPFTRBWEW-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316036;MM316036;C=CC(C)OCC(O)C=O;RBWBLBJNHLEOFJ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316037;MM316037;C=CC1(CC(N)=O)CC1;SLHYCTPFWCVZHK-UHFFFAOYSA-N;125.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316038;MM316038;C=CC(C)OCC(O)C#N;CLBSFXSRIPYWCY-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316039;MM316039;C=CC(F)COC(C)C=C;QBLAORPWSAWIAA-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316040;MM316040;CCNN=C(C)CC=O;RQIJTENMNCSXSB-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316041;MM316041;C=CC(F)COC(C)C#N;KCIKMKRIEAMBHP-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316042;MM316042;CNN=c1oc(=O)on1O;NQQRNJRNFUIATA-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316043;MM316043;C=CC(C)CCN(C)C=N;PHGTYFFUKPITME-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316044;MM316044;CON=c1oc(=O)on1C;CECMDDAMCROANO-UHFFFAOYSA-N;146.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316045;MM316045;CCC(C)CCNC=O;PNIGYNYSXQJTSG-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316046;MM316046;CON=c1oc(=O)on1N;XUHNVDCMRNDNEL-UHFFFAOYSA-N;147.09;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316047;MM316047;C=CC(C)CCN(N)C=O;NFASBMLGMSYVIH-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316048;MM316048;CON=c1oc(=O)on1O;BQBNOLSYBVSDCY-UHFFFAOYSA-N;148.07;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316049;MM316049;C=CC(C)CCN(O)C=O;CFQJFEJZPOYASC-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316050;MM316050;Cn1oc(=O)oc1=NC=N;MEDBPCFROHBRGG-UHFFFAOYSA-N;143.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316051;MM316051;CC(C=O)CCN(O)C=N;XZRNKRNSDQHUDK-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316052;MM316052;Cn1oc(=O)oc1=NC=O;FVVOYYBVKYBKQE-UHFFFAOYSA-N;144.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316053;MM316053;CC(C#N)CCN(O)C=N;NYZNJFUQOYLPRE-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316054;MM316054;N=CN=c1oc(=O)on1N;IHSHGBOWKMHWJF-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316055;MM316055;CC(C#N)CCN(O)C=O;NPXWEAMPBPUDBM-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316056;MM316056;Nn1oc(=O)oc1=NC=O;VBRDVBICVBEGKL-UHFFFAOYSA-N;145.07;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316057;MM316057;C=CC(O)CCN(C)C=N;SCIZGAVDPONGAG-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316058;MM316058;CCC1CC1(C)C(N)=O;RONWTPXDPREFQB-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316059;MM316059;CN(C=N)CCC(O)C#N;TVJCXSIKKMOFBG-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316060;MM316060;C=NN=c1oc(=O)on1C;KFOXZUWWONUGSM-UHFFFAOYSA-N;143.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316061;MM316061;CN(C=O)CCC(O)C#N;UTMVSAHULOWPPH-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316062;MM316062;C=NN=c1oc(=O)on1N;HWEJVWVSDYAHFN-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316063;MM316063;C=CC(O)CCN(N)C=N;QSGRZRKZAGAJPC-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316064;MM316064;C=NN=c1oc(=O)on1O;DGGYVHSZERIICE-UHFFFAOYSA-N;145.07;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316065;MM316065;C=CC(O)C=CC=CC;RGQCHSIKSQGNKP-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316066;MM316066;C=c1[nH]c(=N)[nH]c1=CCC;BDPQYFLVZIEMCF-UHFFFAOYSA-N;137.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316067;MM316067;C=CC(O)CCN(O)C=N;IYCASRFHYKLHPC-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316068;MM316068;C=c1oc(=O)oc1=CCO;XURPQUOFAIDYPD-UHFFFAOYSA-N;142.11;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316069;MM316069;C=CC(O)CCN(O)C=O;GDJBQICBNQXJCW-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316070;MM316070;C=c1oc(=O)oc1=COC;XTTHXBWTKXDQFB-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316071;MM316071;O=CC(O)CCN(O)C=O;SINMGLWOQMZDGH-UHFFFAOYSA-N;147.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316072;MM316072;C=c1oc(=O)oc1=CC=O;VSPKDCCVTPEMJO-UHFFFAOYSA-N;140.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316073;MM316073;N#CC(O)CCN(O)C=O;NYAIUDNKHFAONQ-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316074;MM316074;C#CC=c1oc(=C)[nH]c1=N;PLWJXABCAUIIKF-UHFFFAOYSA-N;134.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316075;MM316075;CN(C=O)CCC(F)C#N;ZCRHMUKVTPBRBF-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316076;MM316076;C#CC=c1oc(=C)[nH]c1=O;NNMSCVVOWJDTBJ-UHFFFAOYSA-N;135.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316077;MM316077;C=CC(F)CCN(O)C=O;VPPYFGPZOWIZLO-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316078;MM316078;CC=Cn1oc(N)nc1=N;MTCKTXWNGUOFPQ-UHFFFAOYSA-N;140.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316079;MM316079;C=CC(C)CCN(C)N=C;KOSDPAAVIYOUBM-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316080;MM316080;CC=Cn1oc(F)nc1=N;DFJKGDHJIRUBMV-UHFFFAOYSA-N;143.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316081;MM316081;C=CC(O)C=CC=CF;JCMPBHMJOUDAMF-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316082;MM316082;CC=Cn1oc(C)nc1=O;DBOKEOZLPVROQQ-UHFFFAOYSA-N;140.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316083;MM316083;C=NN(C)CCC(C)C#N;DPQCPVPCNBMGAN-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316084;MM316084;CC=Cn1oc(N)nc1=O;CUAMGXSFTTWYDH-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316085;MM316085;C=CC(N)CCN(C)N=C;JWOQFLFHZLIUAI-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316086;MM316086;COCC(=O)NCC(=O)O;RSHOGRPEOYNOBS-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316087;MM316087;C=C(C#N)C(C)CCO;UVPDDBHMJODQNB-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316088;MM316088;C=CC(F)CCN(C)N=C;SFUOVMDUQDOTKX-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316089;MM316089;C#Cc1onc(O)c1O;NKXZCAQTNHDULL-UHFFFAOYSA-N;125.08;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316090;MM316090;C=NN(C)CCC(F)C#N;UTYUCMDQAMBSQO-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316091;MM316091;CC=Cn1oc(F)nc1=O;HMVSWCAEZJOFMR-UHFFFAOYSA-N;144.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316092;MM316092;C=CC(C)CNN(C)C=N;RYAGVHSCFCSFLM-UHFFFAOYSA-N;141.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316093;MM316093;CN=Cn1oc(C)nc1=N;CZAWHOMFWAEADJ-UHFFFAOYSA-N;140.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316094;MM316094;CC(C=O)CNN(C)C=N;BQKXOZVLLCJQGJ-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316095;MM316095;CCC(C)C(C)NC=O;YIIKBOIXQIPYNS-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316096;MM316096;CC(C#N)CNN(C)C=N;NFUDTVJUTRJYID-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316097;MM316097;O=CN(CCO)CC(=O)O;MMUJYJOHSNKFBO-UHFFFAOYSA-N;147.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316098;MM316098;C#CCC(=C)C(=C)CO;BRNBWJNNNPVWAR-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316099;MM316099;CN=Cn1oc(F)nc1=N;NHDHDWMNDKMGNA-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316100;MM316100;C=CC(N)CNN(C)C=N;OCGOVWNJYUFRQN-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316101;MM316101;CN=Cn1oc(C)nc1=O;IMTNGQFZMWURFU-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316102;MM316102;C=CC(N)CNN(C)C=O;FCOAIKPQTYHYKF-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316103;MM316103;Cc1nc(=O)n(C=NN)o1;LNIZGVREUPROOB-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316104;MM316104;CN(C=N)NCC(O)C#N;UNOINNOOAKWPPX-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316105;MM316105;CN=Cn1oc(N)nc1=O;CQALADDHOXQZCY-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316106;MM316106;CN(C=N)NCC(F)C#N;OIBWQJVTFGQMAP-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316107;MM316107;Oc1cn[nH]n1;QEASJVYPHMYPJM-UHFFFAOYSA-N;85.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316108;MM316108;CC(C=O)CON(C)C=N;FWXUPKOUWLWMEU-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316109;MM316109;N#Cc1n[nH]c(F)c1O;NYKXOZIMOGTPAJ-UHFFFAOYSA-N;127.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316110;MM316110;C=CC(N)CON(C)C=N;LXQINEJQMFAGCW-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316111;MM316111;CN=Cn1oc(F)nc1=O;TYGMQGCZENYFEM-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316112;MM316112;CN(C=N)OCC(O)C#N;UTTVRQMOKHMAQQ-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316113;MM316113;CC=Nn1oc(C)nc1=N;YLLYQERLZHCYFC-UHFFFAOYSA-N;140.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316114;MM316114;C=CC(F)CON(C)C=O;UKQPTZHBYAFSMC-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316115;MM316115;CC(C)(C(N)=O)C1CC1;PWHDDTREYBYJAJ-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316116;MM316116;CN(C=N)OCC(F)C=O;QUCFPKPMCQHMAT-UHFFFAOYSA-N;148.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316117;MM316117;C=C(CF)C(=NN)C(=O)O;UGHFNHRKFZULSB-UHFFFAOYSA-N;146.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316118;MM316118;CN(C=O)OCC(F)C=O;DMOMDOMTFYSQCL-UHFFFAOYSA-N;149.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316119;MM316119;CC=Nn1oc(F)nc1=N;LKJMTUSIXPLOBO-UHFFFAOYSA-N;144.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316120;MM316120;CN(C=N)CCN(C)C=N;CWRAJQMZMBVTMK-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316121;MM316121;CC=Nn1oc(C)nc1=O;PUGYKRWXWMLUJY-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316122;MM316122;CN(C=N)CCN(C)C=O;LDXNFNUPZADZOF-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316123;MM316123;CC(CC=O)=NNC(C)C;ZFXMINDUEOIWFX-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316124;MM316124;CN(C=O)CCN(C)C=O;VRNZHZHNUUGILQ-UHFFFAOYSA-N;144.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316125;MM316125;Cc1cc(=N)c(=N)nn[nH]1;IDIDJOLXFFQOMR-UHFFFAOYSA-N;137.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316126;MM316126;CN(C=O)CCN(N)C=N;GFQTVDYJQIVXGE-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316127;MM316127;CC=Nn1oc(F)nc1=O;RIDPIGYVUVFBJR-UHFFFAOYSA-N;145.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316128;MM316128;CN(C=O)CCN(N)C=O;KGJDNAFUORVWKO-UHFFFAOYSA-N;145.16;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316129;MM316129;NN(C=O)CCN(N)C=O;RNAWPQNZRDOASE-UHFFFAOYSA-N;146.15;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316130;MM316130;C=CC=c1oc(C)cc1=C;ZOTRDYBOXBPMQV-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316131;MM316131;N=CN(N)CCN(O)C=N;SNXQVADOCOTBHI-UHFFFAOYSA-N;145.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316132;MM316132;C#CC=c1oc(C)cc1=C;QJDNKGVLQWCALY-UHFFFAOYSA-N;132.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316133;MM316133;N=CN(O)CCN(O)C=N;CSHAAIZXTWHCAE-UHFFFAOYSA-N;146.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316134;MM316134;C=C(C)C(N)=C(C)C(N)=O;MZHORMULJBYRMD-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316135;MM316135;C=NN(C)CCN(N)C=O;RUPPXYQNSUEOSH-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316136;MM316136;CC(CC=O)=NNCCF;BBPKAJVZJGTMBM-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316137;MM316137;C#CC(C)CCC(C)C=C;LHKBUFHSKAACEM-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316138;MM316138;C=CCNN=C(C)CC=O;MHZYZCRFGQFLEY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316139;MM316139;C#CC(C)CCC(C)C#N;WPABCIGFHIUAGT-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316140;MM316140;C=CC(=CC)C(=C)C(N)=O;CONGOIYOBFUHEQ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316141;MM316141;C#CC(O)CCC(C)C=C;BPSLCJVFYUVOSM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316142;MM316142;C=CC(NC)=C(C)C(N)=O;AZXZTYTYHHEPLV-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316143;MM316143;C#CC(C)CCC(N)C=C;XFQFTQIESIUIFG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316144;MM316144;CC=CC(N)=C(C)C(N)=O;YRISNPPRGBDFOP-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316145;MM316145;C#CC(O)CCC(N)C=C;JIBKJEKGWXPKAV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316146;MM316146;CNN=c1on(O)cc1O;ZWSQEWMZPUZDIW-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316147;MM316147;Nc1n[nH]c(C=O)c1N;SWIPYDVOXXUHIC-UHFFFAOYSA-N;126.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316148;MM316148;CC(=O)N(CC=O)N(C)C;IQVKSILXZFXDKR-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316149;MM316149;C#CC(C)CCC(O)C#N;VXVRSKAIIRQSHJ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316150;MM316150;C#CC(ON=C)C(=C)C=O;DYFXYQLRSYKOQK-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316151;MM316151;C#CC(N)CCC(O)C=C;ZJRWKEHIHNBMAF-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316152;MM316152;C=NN=c1on(N)cc1C;FCWBNDWVYGURKQ-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316153;MM316153;C#CC(O)CCC(O)C=C;RWVXJCMZWINFEF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316154;MM316154;C=NN=c1on(O)cc1C;QLHZLNREZDIYEA-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316155;MM316155;C#CC(O)CCC(O)C=O;UADFXKYISROGJB-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316156;MM316156;C#CC(O)CCC(O)C#N;RLWDNOJPZYXXNU-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316157;MM316157;C=NN=c1on(C)cc1N;JZAOMGBGXSYKGE-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316158;MM316158;C=NN=c1on(C)cc1O;OORAEBFILXFPII-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316159;MM316159;C#CC(C)CCC(F)C=C;WDRXSMBFWWGNFI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316160;MM316160;C=NN=c1on(N)cc1O;NZYHQBFMXRLXPZ-UHFFFAOYSA-N;142.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316161;MM316161;C#CC(C)CCC(F)C=O;LLXHTLCWMLDQSW-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316162;MM316162;C#CC(C)CCC(F)C#N;VGQTYPIVAAEIAG-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316163;MM316163;C=NN=c1on(C)cc1F;UKOOUPQMRIICPP-UHFFFAOYSA-N;143.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316164;MM316164;C=NN=c1on(N)cc1F;KIQIUKHGOVYYET-UHFFFAOYSA-N;144.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316165;MM316165;C#CC(O)CCC(F)C=C;OXWJSCZYYVXFPR-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316166;MM316166;C#CC(F)CCC(F)C=O;GVTQPCTYABAEMA-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316167;MM316167;C=NN=c1on(O)cc1F;AGULAGCUBBFYAA-UHFFFAOYSA-N;145.09;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316168;MM316168;C#CC(F)CCC(F)C#N;CRXWHSZILNWNRP-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316169;MM316169;C=c1cc(C)c(=CCC)o1;DBFDIQPSJOGODL-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316170;MM316170;C#CC(C)NCC(N)C=C;BUMCEJYBJBLFGZ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316171;MM316171;C=c1cc(F)c(=CCC)o1;RNDWTLCHEIYJNM-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316172;MM316172;C#CCC=C(C=C)CO;DALYKNKJQVFHLN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316173;MM316173;C=c1cc(F)c(=CCN)o1;LDUPABPSKXEJSO-UHFFFAOYSA-N;141.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316174;MM316174;C#CC(C)OCC(C)C=C;OYRYCRKYCGRWPF-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316175;MM316175;C=CC=c1oc(=C)cc1C;UVNXIQJACWMPHO-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316176;MM316176;C#CC(C)OCC(C)C=O;XDVKOCMMWMVEAR-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316177;MM316177;C#CC=c1oc(=C)cc1C;ZVAQEHONPGVIKL-UHFFFAOYSA-N;132.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316178;MM316178;C#CC(C)OCC(F)C=C;MFKWGPAFZXNBRH-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316179;MM316179;C=c1oc(C)cc1=CCC;XPLZGUOJUIRSGS-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316180;MM316180;C#CC(C)OCC(F)C=O;YGHFRHTWYFVESY-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316181;MM316181;C=c1oc(C)cc1=CC=O;RMVFNCRJVZMFID-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316182;MM316182;C#CC(C)CNC(C)C=C;KFUDHAYTRZRPMS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316183;MM316183;C=c1oc(C)cc1=CC#N;QEGVIKNMVDCAKQ-UHFFFAOYSA-N;133.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316184;MM316184;C#CC(N)CNC(C)C=C;WWDKLKABZGPZPO-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316185;MM316185;C=c1oc(C)nc1=CC#N;RYHLJMMCILJCNQ-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316186;MM316186;C#CC(O)CNC(C)C=C;SQYPSFQERZHBCI-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316187;MM316187;C#CC=c1cc(C)oc1=C;MSGZTDZCWRBADI-UHFFFAOYSA-N;132.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316188;MM316188;C#CC(C)COC(C)C#N;PGXXYCPUPYOZLE-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316189;MM316189;C#CCC1=CC(=C)CC1C;SCZITNAYGREYIX-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316190;MM316190;C#CC(F)COC(C)C#N;ZGQWSVGQGOSXAN-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316191;MM316191;C#CCc1cc(=C)oc1=C;FIEZFCHAYHYDJU-UHFFFAOYSA-N;132.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316192;MM316192;C#CC(C)CCN(C)C=O;SRXNCBVKHYHTQB-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316193;MM316193;CC#Cc1cc(=O)on1C;FHWVAZGXKHYJJN-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316194;MM316194;C#CC(N)CCN(C)C=N;SVLGHRNHWMIVEK-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316195;MM316195;CC#Cc1cc(=O)on1N;GPFBZVHRSSIBRW-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316196;MM316196;C#CC(F)CCN(N)C=N;YKEAWBXQPWYPIC-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316197;MM316197;CC#Cc1cc(=O)on1O;DDUFEPCTNLLFKM-UHFFFAOYSA-N;139.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316198;MM316198;C#CC(N)CCN(O)C=N;CIHWMLFIEGHDJN-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316199;MM316199;CC#Cc1nc(=N)on1C;XORYBEPVFLIYSD-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316200;MM316200;C#CC(F)CCN(O)C=O;BKOCGMOSXYYWIF-UHFFFAOYSA-N;145.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316201;MM316201;CC#Cc1nc(=N)on1N;CRVGHFIABASKBH-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316202;MM316202;C#CC(C)CCN(C)N=C;SHUBTLXPGNFIJV-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316203;MM316203;CC#Cc1cn(C)oc1=O;HCKXRWRNYHUFDK-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316204;MM316204;C#CC(F)CCN(C)N=C;YPMSXKAAQBFLNS-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316205;MM316205;CC#Cc1cn(N)oc1=O;KBRDJMAXKUZZCJ-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316206;MM316206;C=c1cc(C#CC)c(=C)o1;ODKQCDBSHOWXKZ-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316207;MM316207;C#CC(C)CNN(C)C=N;VTJFANYVFUPYSV-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316208;MM316208;C#CC(C)CNN(C)C=O;VZAOWQSSMIQYBI-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316209;MM316209;CC1=CC(C)C(CC#N)=C1;RSJVPKNJKLMSQC-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316210;MM316210;C#CCC1=CC(C)=CC1C;KJNRWUCAGCBYJE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316211;MM316211;C#CC(N)CNN(C)C=N;YKXZGPZTBGRMPZ-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316212;MM316212;C#CCC1=CC(F)=CC1C;ZGYPDGSYZYINAA-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316213;MM316213;C#CC(O)CNN(C)C=N;AVIRQYZKJAIZJD-UHFFFAOYSA-N;141.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316214;MM316214;CCCc1oc(=O)oc1C;GOPXMCOHMXTOEU-UHFFFAOYSA-N;142.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316215;MM316215;C#CC(F)CNN(C)C=N;LIYDJXKGOSXZSI-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316216;MM316216;Cc1oc(=O)oc1CCN;SAFQABOEZWCVFZ-UHFFFAOYSA-N;143.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316217;MM316217;C#CC(F)CNN(C)C=O;VUCUAJWMQPQELG-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316218;MM316218;Cc1oc(=O)oc1CCO;MPLYUZVMHSMZFQ-UHFFFAOYSA-N;144.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316219;MM316219;C#CC(C)CON(C)C=O;FFCXJAUSLPSIGK-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316220;MM316220;Cc1oc(=O)oc1CCF;MJSBWWVIFAYCIB-UHFFFAOYSA-N;146.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316221;MM316221;C#CC(N)CON(C)C=N;KDQNWUSCIBSZQN-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316222;MM316222;CCCc1oc(=O)oc1N;POUMKUYAVNLSEF-UHFFFAOYSA-N;143.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316223;MM316223;C#CC(O)CON(C)C=N;DPBUSLRTTSIEIV-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316224;MM316224;NCCc1oc(=O)oc1N;QVWWUDFDOONUSF-UHFFFAOYSA-N;144.13;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316225;MM316225;C#CC(C)CCC(C)C#C;BJBYMGQVBVHIGX-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316226;MM316226;Nc1oc(=O)oc1CCO;NZTXSMIUXRMJDR-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316227;MM316227;C#CC(C)CCC(N)C#C;HLJMXNNIVMFDLU-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316228;MM316228;Nc1oc(=O)oc1CCF;YNWQHFNRMWHKEE-UHFFFAOYSA-N;147.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316229;MM316229;C#CC(C)CCC(O)C#C;BJIGGRBEWMMSRN-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316230;MM316230;NN=CNC(=O)CC(=O)O;HVZUNHYWHCBVQR-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316231;MM316231;C#CC(C)CCC(F)C#C;HARCAXLTIWSYCC-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316232;MM316232;CC(CF)=NOCC(=O)O;KZCNOFWABWKYBM-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316233;MM316233;C#CC(N)CCC(F)C#C;NYKCOPWRFFWRRF-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316234;MM316234;N=Cn1nnc(=N)c(O)n1;GMDYQNLOTHRGGI-UHFFFAOYSA-N;140.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316235;MM316235;C#CC(F)CCC(F)C#C;CLJXGLCMHDHMKB-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316236;MM316236;CCCc1oc(=O)oc1F;MHOBVRYLNQJTLR-UHFFFAOYSA-N;146.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316237;MM316237;C#CC(C)CNC(C)C#C;FCIYZOUPYQANQK-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316238;MM316238;NCCc1oc(=O)oc1F;NCYMGBHDYSTNOK-UHFFFAOYSA-N;147.11;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316239;MM316239;C#CC(N)CNC(C)C#C;QVIGTLMVLZWHCH-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316240;MM316240;O=c1oc(F)c(CCO)o1;JNNXMRSCODWQIT-UHFFFAOYSA-N;148.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316241;MM316241;C#CC(C)COC(C)C#C;QENDUSDRGINHLH-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316242;MM316242;O=c1oc(F)c(CCF)o1;QLXSTALBUDAZDQ-UHFFFAOYSA-N;150.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316243;MM316243;C#CC(F)COC(C)C#C;GTSMKTYMFBYCHK-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316244;MM316244;COCc1oc(=O)oc1C;PZZSUSOQPCMUND-UHFFFAOYSA-N;144.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316245;MM316245;C=C(CC)CCC(C)CC;HXTBXHKSQNOPQS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316246;MM316246;COCc1oc(=O)oc1N;JMNFLHLUKPBOQV-UHFFFAOYSA-N;145.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316247;MM316247;C=C(CN)CCC(C)CC;SCATYWZFPKOJNS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316248;MM316248;CN=c1[nH]nc(N)c(=O)o1;BTVWGXHRPADOTD-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316249;MM316249;C=C(CO)CCC(C)CC;OZAAMVNIOWJFJJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316250;MM316250;COCc1oc(=O)oc1F;KWXCIJRYJJGJGC-UHFFFAOYSA-N;148.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316251;MM316251;C=C(CF)CCC(C)CC;FZCBAAWVUZPWEP-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316252;MM316252;CCNc1oc(=O)oc1C;OTIOZNZMLASMSP-UHFFFAOYSA-N;143.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316253;MM316253;C=C(CC)CCC(C)CN;YUAFQAZESLKPDM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316254;MM316254;CCNc1oc(=O)oc1N;ODPQHNDGDWZOCW-UHFFFAOYSA-N;144.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316255;MM316255;NN=C(N)C(F)CC(=O)O;QPJIYQMKWNCURL-UHFFFAOYSA-N;149.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316256;MM316256;C=C(CO)CCC(C)CN;LAHWWYBBAHYNTP-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316257;MM316257;C=C(CF)CCC(C)CN;WRYCHMUKPCLHED-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316258;MM316258;CCNc1oc(=O)oc1F;LNTZDGWKVXVALE-UHFFFAOYSA-N;147.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316259;MM316259;O=CC1CNN(C=O)C1;DPVHHENBTVRAEH-UHFFFAOYSA-N;128.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316260;MM316260;CCOc1oc(=O)oc1C;DLTHMZYXWVSNRZ-UHFFFAOYSA-N;144.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316261;MM316261;C=C(CN)CCC(C)CO;VYZIYWKRRAJVPJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316262;MM316262;CCOc1oc(=O)oc1N;IRCPPBCYFXVNBB-UHFFFAOYSA-N;145.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316263;MM316263;COC1=NCC(=NN)N1;WBBFSSMXQZUYBP-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316264;MM316264;Nc1nc(=O)[nH][nH]c1=O;IRBQSXXQYGUVML-UHFFFAOYSA-N;128.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316265;MM316265;C=C(CC)CCC(C)CF;XOAKZUFOZPAIIN-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316266;MM316266;CCOc1oc(=O)oc1F;QRFWSTVOQRRZEU-UHFFFAOYSA-N;148.09;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316267;MM316267;C=C(CN)CCC(C)CF;BUFDOGDNRMFASC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316268;MM316268;C=CCc1oc(=O)oc1C;PYJDYOHNKSEKAR-UHFFFAOYSA-N;140.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316269;MM316269;C=C(CO)CCC(C)CF;ZHIMPGVSLASDEZ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316270;MM316270;Cc1oc(=O)oc1CC=O;RUGBWAOPQJWXIX-UHFFFAOYSA-N;142.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316271;MM316271;C=C(CF)CCC(C)CF;OCKRAFKFDQITOR-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316272;MM316272;Cc1oc(=O)oc1CC#N;RAMYHGYXQOPTCI-UHFFFAOYSA-N;139.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316273;MM316273;CCC(=O)CCC(C)CC;JKCBSCZEUOCWHW-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316274;MM316274;C=CCc1oc(=O)oc1N;AIMGMTOGXKVQCD-UHFFFAOYSA-N;141.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316275;MM316275;CCC(C)CCC(=O)CF;JDODFUNIZUEADX-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316276;MM316276;CCCCCCNC=O;NHTXRWUMLXSOGJ-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316277;MM316277;Nc1oc(=O)oc1CC=O;LFPMYRDTWTYZNK-UHFFFAOYSA-N;143.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316278;MM316278;CC(CO)CCC(=O)CO;DEOXXEHNAUJCHB-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316279;MM316279;N#CCc1oc(=O)oc1N;BWCHOUKMDSLJDF-UHFFFAOYSA-N;140.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316280;MM316280;Cn1c(O)n[nH]c1=O;XJOOWWMZMXBLAO-UHFFFAOYSA-N;115.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316281;MM316281;CCC#CCCCCO;JQAHIGRMEIQAEL-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316282;MM316282;CCC(=O)CCC(C)CF;JZVLXSZEGZDPBF-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316283;MM316283;O=c1cc(O)[nH]n1O;FTWHCVHNRXWRBA-UHFFFAOYSA-N;116.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316284;MM316284;CC(CF)CCC(=O)CF;CRFMCZSFFQUYHS-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316285;MM316285;C=C(OCCOC)C(=O)O;AXKLQTXCFWCMHL-UHFFFAOYSA-N;146.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316286;MM316286;C=C(CC)CCC(N)CC;IMLYZACSKASZTE-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316287;MM316287;C=CCc1oc(=O)oc1F;UBKXHSVKXNNCDI-UHFFFAOYSA-N;144.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316288;MM316288;C=C(CN)CCC(N)CC;XEODNZZJGQANSV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316289;MM316289;O=CCc1oc(=O)oc1F;ROCCPSCULLIZLN-UHFFFAOYSA-N;146.07;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316290;MM316290;C=C(CO)CCC(N)CC;KDSYLFNFJRVXKU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316291;MM316291;N#CCc1oc(=O)oc1F;XPIANODJVDYLCE-UHFFFAOYSA-N;143.07;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316292;MM316292;C=C(CF)CCC(N)CC;YJWGQWNKJTUKGW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316293;MM316293;Cc1oc(=O)oc1NC=O;SSPPVVRCCBEDAK-UHFFFAOYSA-N;143.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316294;MM316294;C=C(CC)CCC(N)CN;SMKVXFVRVPNFRV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316295;MM316295;Nc1oc(=O)oc1NC=O;VXBGTXGJRCAYEJ-UHFFFAOYSA-N;144.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316296;MM316296;C=C(CO)CCC(N)CN;AUWFLYAAEDLNTE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316297;MM316297;COC=CC(O)C(=O)O;LIZGBSNCAWLUQO-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316298;MM316298;C=C(CC)CCC(N)CF;MAEUMTYAVRPKFH-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316299;MM316299;C#Cc1cc(NCC)no1;BJIOAWMMRTZVCB-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316300;MM316300;CNN=CC(C)(F)C(C)=O;RMRHDCJFCKUUBV-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316301;MM316301;O=CNc1oc(=O)oc1F;IZLWAAYUDQSXGT-UHFFFAOYSA-N;147.06;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316302;MM316302;C=C(CN)CCC(O)CC;CRFPQNMTGZNCLN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316303;MM316303;C=COc1oc(=O)oc1C;JOGSURMIQAEWOD-UHFFFAOYSA-N;142.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316304;MM316304;C=C1C=C(CO)CC1(C)C;ZQTHXYAKBPJDIX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316305;MM316305;Cc1oc(=O)oc1OC=O;SIEYIRKHUDLOHO-UHFFFAOYSA-N;144.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316306;MM316306;C=C1CC(CO)=CC1(C)C;AMKBMPVEKAIKBB-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316307;MM316307;C=COc1oc(=O)oc1N;IMXZYYHCNXRUMK-UHFFFAOYSA-N;143.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316308;MM316308;C=C(CC)CCC(O)CN;XOJOYXIDXJQJCP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316309;MM316309;Nc1oc(=O)oc1OC=O;TYDAISZASFMXMR-UHFFFAOYSA-N;145.07;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316310;MM316310;C=C(CC)CCC(O)CO;ONAFZIVBYVGZMG-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316311;MM316311;C=C(C=O)CC(O)C(=O)O;GYMYIQWZSSMYMK-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316312;MM316312;C=C(CC)CCC(O)CF;RLLFAILYKHRPGH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316313;MM316313;N#CCC(=O)C(CF)=NO;IATYCOZOCFELIX-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316314;MM316314;C=C(CN)CCC(O)CF;DYCBFCZODIORLX-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316315;MM316315;C=COc1oc(=O)oc1F;GTCHMXWXHIVKCW-UHFFFAOYSA-N;146.07;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316316;MM316316;C=C(CO)CCC(O)CF;PBAHPKLMXWYTKK-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316317;MM316317;O=COc1oc(=O)oc1F;SNLGPBXCPMSEQI-UHFFFAOYSA-N;148.05;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316318;MM316318;C=C(CF)CCC(O)CF;LJXLBIYPPKFYRM-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316319;MM316319;C#CCc1oc(=O)oc1C;BBLJFXAJVZQIBT-UHFFFAOYSA-N;138.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316320;MM316320;CCC(=O)CCC(O)CC;VJDZJBNTVLGPEM-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316321;MM316321;C#CCc1oc(=O)oc1N;MXEIKGBHXSSTPX-UHFFFAOYSA-N;139.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316322;MM316322;CCC(O)CCC(=O)CF;JOEUGZONTCHKET-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316323;MM316323;C=C(CO)C(O)C(=O)O;COPHFJSFNULTCG-UHFFFAOYSA-N;132.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316324;MM316324;CCC(=O)CCC(O)CO;RONKPOIEVBLJLN-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316325;MM316325;C#CCc1oc(=O)oc1F;YWKGXPIXZLXMNM-UHFFFAOYSA-N;142.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316326;MM316326;O=C(CO)CCC(O)CF;WFPIJZMIONACLR-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316327;MM316327;CC=Cc1oc(=O)oc1C;YBIYJTYHGLEIMG-UHFFFAOYSA-N;140.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316328;MM316328;C=C(CC)CCC(F)CC;MKJKIQTYCPGPAK-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316329;MM316329;Cc1oc(=O)oc1C=CF;KNUBYQFHZABLIT-UHFFFAOYSA-N;144.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316330;MM316330;C=C(CN)CCC(F)CC;IYJXGZRGPROXET-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316331;MM316331;CC=Cc1oc(=O)oc1N;VXMPTPYXHGJTLR-UHFFFAOYSA-N;141.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316332;MM316332;C=C(CC)CCC(F)CN;IILCQTPLRSVECU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316333;MM316333;Nc1oc(=O)oc1C=CF;VIBPIWUFPMCLJS-UHFFFAOYSA-N;145.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316334;MM316334;C=C(CC)CCC(F)CO;LNZHIIJTLFRKQE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316335;MM316335;C#CCOCC(C#N)=NO;VJOMOIKMALESHS-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316336;MM316336;C=C(CN)CCC(F)CO;OIUYVWPFFHERNC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316337;MM316337;O=c1oc(=NO)[nH]cc1F;WPNZPQVFWIPYRZ-UHFFFAOYSA-N;146.08;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316338;MM316338;C=C(CO)CCC(F)CO;IEFZQSRYSMQSRI-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316339;MM316339;CC=Cc1oc(=O)oc1F;OUPTUCPDNYMNBI-UHFFFAOYSA-N;144.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316340;MM316340;C=C(CO)CCC(F)CF;PHUOLHPXVRZZTH-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316341;MM316341;O=c1oc(F)c(C=CF)o1;FOSXQKKQMYFNRP-UHFFFAOYSA-N;148.06;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316342;MM316342;CCC(F)CCC(=O)CF;KJIUXWSKSIXVON-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316343;MM316343;Cc1oc(=O)oc1C=NN;SECDZFNCAZTGCE-UHFFFAOYSA-N;142.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316344;MM316344;CCC(=O)CCC(F)CO;FFWBLCLIZNETDR-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316345;MM316345;C=CC(=O)C1C(C=O)N1C;DGZHSBIOBSVLNA-UHFFFAOYSA-N;139.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316346;MM316346;NN=Cc1oc(=O)oc1F;DWUWWGKMHMZTLK-UHFFFAOYSA-N;146.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316347;MM316347;CCC(=O)CCC(F)CF;SWCYBCAFUUEKTP-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316348;MM316348;CCC(C)CCC(=N)NC;KQPVMVRPXWBHJW-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316349;MM316349;CON=CC(F)=CC(=O)O;MRWQWXBRYDNSKJ-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316350;MM316350;CC#Cc1oc(=O)oc1C;OYCQINBGTZONSR-UHFFFAOYSA-N;138.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316351;MM316351;CCC(C)CCC(=N)NN;MFVPTYRFYUFNHJ-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316352;MM316352;CC#Cc1oc(=O)oc1N;JJSVHFWJYZDKKJ-UHFFFAOYSA-N;139.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316353;MM316353;CCC(C)CCC(=N)NO;JBLHXGQQRYGLSY-UHFFFAOYSA-N;144.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316354;MM316354;CN=C(C)N=C(N)C(=O)O;YBVSMHNRXIIMHO-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316355;MM316355;CC(CO)CCC(=N)NN;BUBIBGFOUVLXCX-UHFFFAOYSA-N;145.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316356;MM316356;C=CC(O)C=CC=C(F)F;ZETUJVXDBKAEQV-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316357;MM316357;CC#Cc1oc(=O)oc1F;DJCNXMXTWBBOAM-UHFFFAOYSA-N;142.09;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316358;MM316358;CCC(C)CCC(=O)NO;FTYVQZRHBRAKRU-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316359;MM316359;CC(C)CCCC1CC1C;ZSPHCYPRDPJVKP-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316360;MM316360;CNC(=O)CCC(C)CN;IOUWKIDOQBSBGJ-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316361;MM316361;C=C(C)CCCC1CC1C;FXMPDGWGUQXLKO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316362;MM316362;CC(CN)CCC(=O)NO;RCEISQDHBWCZMI-UHFFFAOYSA-N;146.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316363;MM316363;CC(=O)OCCC1CC1C;ZIKNHITZCNSFJM-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316364;MM316364;C=C(C)CCCC1OC1C;LZUKKZDGIFUSDK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316365;MM316365;C=CC(=CC(C)O)CC#N;RWNRRPJFXORFMA-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316366;MM316366;CC(=O)NCCC1OC1C;MDEBPXTWKVCEFY-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316367;MM316367;CC=CC#CC(C)CCO;VJCNAAQCGJGEAR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316368;MM316368;CC(N)C=CCC1CC1N;LGOLRQLDGUNWMK-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316369;MM316369;CC#CC(C)=CC1CC1O;QYQLKULUUSVSNW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316370;MM316370;CC(N)C=CCN1CC1C;OMAKLYBNALDNNT-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316371;MM316371;CCC(N)CCC(=O)NC;XZJCWNSVWISMNM-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316372;MM316372;C=C(C)C=CCC1CC1N;AYMWTRGSCDCGPC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316373;MM316373;CNC(=O)CCC(N)CF;NCUZRCAXYWHLPC-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316374;MM316374;CC(C)C#CCC1CC1C;BYGYYMQLBUJIDO-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316375;MM316375;CCC(O)CCC(=N)NN;YRMXBOFJRSGICM-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316376;MM316376;CC1CC1CC#CC(F)F;XALRDABOXYVIOV-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316377;MM316377;CCC(O)CCC(=N)NO;KVIXIGGEAXLERO-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316378;MM316378;CC1OC1CC#CC(F)F;VNKQNMNOBUWXEO-UHFFFAOYSA-N;146.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316379;MM316379;CNC(=N)CCC(O)CN;SBGQVNGUZJEQPF-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316380;MM316380;N=C1NCC(F)C1=O;LPFYUYZRORJBOP-UHFFFAOYSA-N;116.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316381;MM316381;CNC(=N)CCC(O)CO;JSOQMTMNQDLXBY-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316382;MM316382;O=CCC1CN1C=O;JFFKCKAIWQWSEM-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316383;MM316383;N=C(CCC(O)CO)NN;WEVCLECTZCXPHI-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316384;MM316384;C=C(C)C#CCC1CC1C;OPOVHMDHKFWPIM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316385;MM316385;CNC(=N)CCC(O)CF;GSBDIMXRDSCNIA-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316386;MM316386;CC(=O)C#CCC1CC1C;CIFSSJRWQAMWQN-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316387;MM316387;CNC(=O)CCC(O)CN;PCIZBHLISGPQIW-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316388;MM316388;CC1CC1CC#CC(N)=O;ZHMKFZSQNRBYEK-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316389;MM316389;CNC(=N)CCC(F)CN;JVZGDEYUFAGYPO-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316390;MM316390;CC1CC1CC#CC(=O)O;WPGLJRSDGJWHEC-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316391;MM316391;CNC(=N)CCC(F)CO;IAEZWUJCXZENPS-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316392;MM316392;C=C(C)C#CCC1OC1C;ILNDDXCZKORXKB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316393;MM316393;N=C(CCC(F)CF)NN;IEBLBLKVDLCQTQ-UHFFFAOYSA-N;151.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316394;MM316394;CC(=O)C#CCC1OC1C;OHQGKBSZTMYKHB-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316395;MM316395;N=C(CCC(F)CF)NO;XBCJNJCPYXCJJC-UHFFFAOYSA-N;152.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316396;MM316396;CC1OC1CC#CC(N)=O;LOMNUIPOIFUPCE-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316397;MM316397;C#Cc1onc(N)c1O;WLTPLPAOXOHUHE-UHFFFAOYSA-N;124.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316398;MM316398;CCC(F)CCC(=O)NC;CNSHSDTXJNMXEJ-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316399;MM316399;C#Cc1c[nH]nc1N;MKIYTNLOKVVRKT-UHFFFAOYSA-N;107.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316400;MM316400;C#CC1=CC(O)(C=C)C=C1;OSTQPPPOOXMZFA-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316401;MM316401;CC(C)CC(C)NC=O;FRKARDZLHRRZMJ-UHFFFAOYSA-N;129.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316402;MM316402;O=C(CCC(F)CF)NO;FBDPLNFHTMLGSM-UHFFFAOYSA-N;153.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316403;MM316403;CC=CC(N)=CC(N)=O;MEPQESPBLJWEIE-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316404;MM316404;C=C(CCC(C)CN)OC;RTCLFUXPAKPPGN-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316405;MM316405;CCCCC(C)NC=O;WTRQWLYNDCUXGO-UHFFFAOYSA-N;129.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316406;MM316406;C#CC(C=CC(C)O)CC;KCHRPFQKESPYRC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316407;MM316407;CC(C)CC=NN1CC1C;UQFKEQISJKNQPW-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316408;MM316408;COC(=O)CCC(C)CF;GNDMGIIZAKDBTI-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316409;MM316409;CC(=O)OC=NN1CC1C;DJZABFXJTCWYNR-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316410;MM316410;C=C(CCC(N)CN)OC;GAZNPTGTYRWYIZ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316411;MM316411;CC(C)=CC=CC1CC1C;YQKGATMPGIPMMM-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316412;MM316412;C=C(CCC(N)CF)OC;UGURBRJPUAKAMJ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316413;MM316413;CC(C)c1cnnc(=N)o1;HOVWPCYJXSLBGW-UHFFFAOYSA-N;139.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316414;MM316414;COC(=O)CCC(N)CF;GDMMCCNFVGKCKJ-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316415;MM316415;CC(N)c1cnnc(=N)o1;NOJNSGOWFNZKNF-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316416;MM316416;C=C(CCC(O)CC)OC;CCWLVYQFJMBJDG-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316417;MM316417;CC=CC(C)CNC=O;OAFUBIFNOHZPOI-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316418;MM316418;CC(F)c1cnnc(=N)o1;BTCPUOIDBQLZSI-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316419;MM316419;C=C(CCC(O)CO)OC;IJAJUDJOPSNYQB-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316420;MM316420;N=c1nncc(C(F)F)o1;VBKYSXLMGMIWCX-UHFFFAOYSA-N;147.08;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316421;MM316421;CCC(O)CCC(=O)OC;GAHDIGHBYWYMPW-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316422;MM316422;C=C(CCC(F)CC)OC;BTNZAWMUMLVUPW-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316423;MM316423;CC(C)c1cnnc(=O)o1;WIKQDIAZISTLDR-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316424;MM316424;CC(N)c1cnnc(=O)o1;YPYFUJJJOFIGNG-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316425;MM316425;C=C(CCC(F)CN)OC;IUCNNIMNQOBWAG-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316426;MM316426;CC(O)c1cnnc(=O)o1;ZKEBBEAWVLRXPU-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316427;MM316427;COC(=O)CCC(F)CN;VQQGADVNNYABQE-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316428;MM316428;CC(F)c1cnnc(=O)o1;PBBVUNCUDUYPGO-UHFFFAOYSA-N;144.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316429;MM316429;C=C(CC)CCC(C)NC;FKPRDYVCMMTARX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316430;MM316430;O=c1nncc(C(F)F)o1;KAHYMAWLBBUJFL-UHFFFAOYSA-N;148.07;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316431;MM316431;CCC(=O)CCC(C)NC;OVNOXIYPEYQNOQ-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316432;MM316432;CCN=CN=C(N)C(=O)O;XWLYMVNQGJHKBG-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316433;MM316433;CNC(C)CCC(=O)CO;CSSROIUUAMLUPY-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316434;MM316434;CN(C)c1cnnc(=N)o1;CLRAGPTWLZLGSE-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316435;MM316435;CNC(C)CCC(=O)CF;KKEVCAZCMZGIDD-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316436;MM316436;CN(C)c1cnnc(=O)o1;KNXCQBIXZGRQSQ-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316437;MM316437;CNC(=N)CCC(C)NC;GGEVZFOLEPPZQW-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316438;MM316438;O=C(O)CC(=NO)NO;ZHPAIRJKAWNQMG-UHFFFAOYSA-N;134.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316439;MM316439;CNC(=O)CCC(C)NC;LKYRIBFXIJVFFA-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316440;MM316440;C=C(C)c1cnnc(=N)o1;OGCASKLZRVAQGH-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316441;MM316441;CNC(C)CCC(=O)NO;DNKIMPHGGNHPQS-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316442;MM316442;C=C(C)C(C)CNC=O;OREQWUHCBGWGNC-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316443;MM316443;C=C(CCC(C)NC)OC;LFHOXCIUYAIOKS-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316444;MM316444;N=C(N)c1cnnc(=N)o1;UVYYDYSUPDOBSL-UHFFFAOYSA-N;139.12;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316445;MM316445;C=C(CC)CCC(C)OC;ITOVIDOYFPLDES-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316446;MM316446;C=CC1CC1CC(N)=O;JNZAHJOAGCPSOO-UHFFFAOYSA-N;125.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316447;MM316447;C=C(CN)CCC(C)OC;PASIDLZZYYXGOJ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316448;MM316448;CC1=NC(=CO)C=N1;VWCNJJSMQLFFDZ-UHFFFAOYSA-N;110.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316449;MM316449;C=C(CO)CCC(C)OC;HKIGENDTXDNWKA-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316450;MM316450;N=c1nncc([N+](=O)[O-])o1;KGISANIPSMUDJF-UHFFFAOYSA-N;142.07;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316451;MM316451;C=C(CF)CCC(C)OC;PGTMUVGNJRVSAR-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316452;MM316452;COC(C)CCC(=O)CO;HNSFJFQJWJLQQI-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316453;MM316453;C=C(F)c1cnnc(=N)o1;QYZJCBFNUHACJP-UHFFFAOYSA-N;141.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316454;MM316454;COC(C)CCC(=O)CF;BEGBYKDDCQNHNQ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316455;MM316455;C=C(C)c1cnnc(=O)o1;PXLAEMQGOVNSOJ-UHFFFAOYSA-N;138.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316456;MM316456;CNC(=N)CCC(C)OC;GQDCYPVUWPBDSQ-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316457;MM316457;CC(=O)c1cnnc(=O)o1;MBDYLYUXKUZZSK-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316458;MM316458;COC(C)CCC(=O)NO;OSSACNXXZLVWSG-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316459;MM316459;N=C(N)c1cnnc(=O)o1;LHLCQTVUTXREPY-UHFFFAOYSA-N;140.1;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316460;MM316460;C=C(CCC(C)OC)OC;NXEQECIRPJHJGY-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316461;MM316461;NC(=O)c1cnnc(=O)o1;PTSQWDRCKVMRBG-UHFFFAOYSA-N;141.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316462;MM316462;COC(=O)CCC(C)OC;NSYLEMQJJNJDIA-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316463;MM316463;C=C(CC(=O)O)C(N)=NO;SLJCEUIDWZEJMX-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316464;MM316464;CCC(=N)NCC(C)CC;GVHPXCNMOZJUBY-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316465;MM316465;O=c1nncc([N+](=O)[O-])o1;IQIITOSJGQQANG-UHFFFAOYSA-N;143.06;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316466;MM316466;CCC(C)CNC(=N)CO;KSTIUAIRAOHIQD-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316467;MM316467;C=C(F)c1cnnc(=O)o1;DBHSCFUYAVOGQU-UHFFFAOYSA-N;142.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316468;MM316468;CC(CN)CNC(=N)CO;AZWKWVNXEVVEBP-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316469;MM316469;CC(C)c1cc(=O)cco1;CPUXMBKSJPOEBS-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316470;MM316470;CC(CO)CNC(=N)CN;BHRJFNQMOIHYAH-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316471;MM316471;CC(O)c1cc(=O)cco1;BBFGHNDIADKLAI-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316472;MM316472;CC(CO)CNC(=N)CO;BMCSJLIYSWOMNC-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316473;MM316473;CC(C)c1cc(=N)nco1;CSCNOXKXXSWXBZ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316474;MM316474;CCC(=N)NCC(C)CF;UNWFXNSOBHFLBN-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316475;MM316475;CCN1C=NC(=N)C1C;AKXSPHMNXXBMPC-UHFFFAOYSA-N;125.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316476;MM316476;CCC(C)CNC(=O)CO;QBHHOFRQBLGDQK-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316477;MM316477;CC(C)c1cc(=O)nco1;RBHLFPIWRHOOMI-UHFFFAOYSA-N;139.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316478;MM316478;CCC(=O)NCC(C)CN;SZLVJCIKRJWDOX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316479;MM316479;CC(N)c1cc(=O)nco1;GUDQZRDBUOMIFP-UHFFFAOYSA-N;140.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316480;MM316480;CC(CN)CNC(=O)CO;NYIMZRMUSBGMDQ-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316481;MM316481;CC(F)c1cc(=O)nco1;VRGFGOMIRVGEFM-UHFFFAOYSA-N;143.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316482;MM316482;CC(CO)CNC(=O)CO;ICEJGCFLFHLRFW-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316483;MM316483;CC(C)c1cc(=N)nno1;XFSMFSVJOKZCBF-UHFFFAOYSA-N;139.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316484;MM316484;CC(CO)CNC(=O)CF;YNLGNYBVCXFLMI-UHFFFAOYSA-N;149.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316485;MM316485;CCC(=O)NCC(C)CF;GDDOVUQDDUPXFQ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316486;MM316486;CC(C)c1cc(=O)nno1;PLOCSTVELADXTK-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316487;MM316487;CCC(N)CNC(=N)CO;QKAMEJGJBJWEQG-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316488;MM316488;CC(C)c1nc(=O)cco1;LTGHPYICJNJQJO-UHFFFAOYSA-N;139.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316489;MM316489;CCC(N)CNC(=N)CF;YTPJVCYRUQKLOU-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316490;MM316490;CC(O)c1nc(=O)cco1;CKPZSTGSWKZAAO-UHFFFAOYSA-N;141.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316491;MM316491;CCC(=N)NCC(N)CN;CIVCDHKXCNWVNK-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316492;MM316492;CC(C)c1nc(=O)nco1;QBAVMZACUPRXAU-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316493;MM316493;N=C(CN)NCC(N)CN;YTFAFBVLQVVKKL-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316494;MM316494;CC(F)c1nc(=O)nco1;YXKUKARSSSPXFN-UHFFFAOYSA-N;144.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316495;MM316495;N=C(CO)NCC(N)CN;QLKPEGBOKFYQBC-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316496;MM316496;CC(C)c1nc(=N)nno1;ONEVKIDUUYCAHF-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316497;MM316497;CCC(=N)NCC(N)CO;FESUVILVJGALGP-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316498;MM316498;CN(C)c1cc(=O)cco1;MGJGYRIVRITAIQ-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316499;MM316499;N=C(CO)NCC(N)CO;ARPWOIWCEDYXGZ-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316500;MM316500;CN(C)c1cc(=O)nco1;IMESSKZNNIJLLY-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316501;MM316501;CCC(=N)NCC(N)CF;CPXYEMHOCJSSBK-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316502;MM316502;CN(C)c1cc(=O)nno1;ORZGDPRLMHFCDI-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316503;MM316503;N=C(CO)NCC(N)CF;FNYZLMGCZYXGMX-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316504;MM316504;NC(CO)=NOCC(=O)O;BXLJXMLKDJSQCK-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316505;MM316505;CN(C)c1nc(=O)cco1;OFWNXQTUFOMTBC-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316506;MM316506;CCC(N)CNC(=O)CO;KVRNNWKIMVDBNR-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316507;MM316507;CCC(N)CNC(=O)CF;KOGWUUUGFMMIKQ-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316508;MM316508;CN(C)c1nc(=N)nco1;GQPVYFFRBQOXBX-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316509;MM316509;CN(C)c1nc(=O)nco1;HZHKQCNLXKKDEC-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316510;MM316510;NCC(=O)NCC(N)CN;NXGXMYOLNUMOSX-UHFFFAOYSA-N;146.19;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316511;MM316511;CN(C)c1nc(=N)nno1;FGGZPUSFWFPTOT-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316512;MM316512;NCC(N)CNC(=O)CO;VCLYODYNOCYFKJ-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316513;MM316513;C=C(C)c1cc(=O)cco1;BNPWJKQWNBFWRK-UHFFFAOYSA-N;136.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316514;MM316514;CCC(=O)NCC(N)CO;PQDPOSFRVNNVHM-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316515;MM316515;CC(=O)c1cc(=O)cco1;YMEWNPYFMQAHJX-UHFFFAOYSA-N;138.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316516;MM316516;NCC(=O)NCC(N)CO;HTXHJIIRPUSEBW-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316517;MM316517;C=C(C)c1cc(=N)nco1;IAPWYRWZMUIEBN-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316518;MM316518;CCC(=N)NCC(O)CC;FVPXJFXXWRQJFE-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316519;MM316519;C=C(C)c1cc(=O)nco1;UAQGPFBJBLNKIM-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316520;MM316520;CCC(O)CNC(=N)CN;MUMRTVFVVPJAJY-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316521;MM316521;CC(=O)c1cc(=O)nco1;BYNZHFLLMFHAFF-UHFFFAOYSA-N;139.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316522;MM316522;CCC(O)CNC(=N)CO;BPUQIMWWMCAZRL-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316523;MM316523;C=C(C)c1nc(=N)cco1;RQDFRVVHAGTHKH-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316524;MM316524;N=C(CN)NCC(O)CN;WJUIDKJDMCPLJE-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316525;MM316525;Cc1c(C#N)c[nH]c1N;FCYMJCYJSPEVNV-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316526;MM316526;N=C(CO)NCC(O)CN;LWWCLWKWROMENQ-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316527;MM316527;C=C(C)c1nc(=O)cco1;UZAWQXSELJWQSZ-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316528;MM316528;N=C(CF)NCC(O)CN;KVTPLOAZLOWWTK-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316529;MM316529;CC(=O)c1nc(=O)cco1;UKQHNJHVQLRHQY-UHFFFAOYSA-N;139.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316530;MM316530;CCC(=N)NCC(O)CO;GZKBSIRTYMKABL-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316531;MM316531;C=CC(CC)CNC=O;ANJCNBDFHPIIDR-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316532;MM316532;N=C(CN)NCC(O)CO;QOWGAZZFBGIRFD-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316533;MM316533;CC(=O)c1nc(=O)nco1;RHVPHSMEXBVWIO-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316534;MM316534;N=C(CO)NCC(O)CO;OMFHOEZUJWEPOG-UHFFFAOYSA-N;148.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316535;MM316535;CC(C)c1ccoc(=O)c1;ONGVEHLNILCIKL-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316536;MM316536;N=C(CN)NCC(O)CF;JDOAFMYZDUSJAD-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316537;MM316537;CC(C)c1cc(=O)onn1;HFMQJIUARDSYDR-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316538;MM316538;N=C(CO)NCC(O)CF;ASBNBGFOWQWVOZ-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316539;MM316539;CC(N)c1cc(=O)onn1;LQXNWSQTGNXIEU-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316540;MM316540;CCC(O)CNC(=O)CO;UMAZDXFYRMBWTJ-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316541;MM316541;CC(O)c1cc(=O)onn1;FXQLYOVTDQDOLH-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316542;MM316542;CCC(O)CNC(=O)CF;VGRXYPRTNKTNFD-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316543;MM316543;CC(F)c1cc(=O)onn1;HZQQKXCDBRTFLC-UHFFFAOYSA-N;144.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316544;MM316544;NCC(=O)NCC(O)CN;UQRFDEUJRHRWDF-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316545;MM316545;O=c1cc(C(F)F)nno1;JQXZMAYFHZBTFX-UHFFFAOYSA-N;148.07;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316546;MM316546;O=C(CF)NCC(O)CO;HZURJLGZZZELET-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316547;MM316547;CC(C)c1ncoc(=N)n1;JKXDURBTMVYQGU-UHFFFAOYSA-N;139.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316548;MM316548;O=C(CF)NCC(O)CF;RGEMBAHIYRHXCG-UHFFFAOYSA-N;153.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316549;MM316549;CC(C)c1ncoc(=O)n1;QQXAKSILNLVPOE-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316550;MM316550;CCC(=N)NCC(F)CC;RRRZGSGNLGNSNH-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316551;MM316551;CN(C)c1cc(=O)ocn1;KIQXGSZTMCCAME-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316552;MM316552;CCC(=N)NCC(F)CO;OAPCLCSILFQJIM-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316553;MM316553;CN(C)c1cc(=O)onn1;QOJUCYRUCZSJIP-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316554;MM316554;N=C(CO)NCC(F)CO;WMKSFQCWJAMSGV-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316555;MM316555;CN(C)c1ncoc(=N)n1;IRAIVXCNOITAHX-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316556;MM316556;CCC(=O)NCC(F)CC;YCPNMLCMSOJHRV-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316557;MM316557;C=C(C)c1cc(=O)onn1;ARBBOEKPRHYOEK-UHFFFAOYSA-N;138.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316558;MM316558;CCC(C)CNC(=N)NC;FZIUIHNPOXUHAD-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316559;MM316559;CC(=O)c1cc(=O)onn1;RXTFZDSJNPHJKZ-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316560;MM316560;CCC(C)CNC(=N)NN;SOGZYCKFZZFIEL-UHFFFAOYSA-N;144.22;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316561;MM316561;NC(=O)c1cc(=O)onn1;ANDAZDXJQRSHHC-UHFFFAOYSA-N;141.09;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316562;MM316562;CCC(C)CNC(=N)NO;HRLJFWAEGWUDOR-UHFFFAOYSA-N;145.21;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316563;MM316563;O=c1nn[nH]ccc1=NO;YNESEJLMTFIDJQ-UHFFFAOYSA-N;140.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316564;MM316564;CNC(=N)NCC(C)CN;NCJDXGUDKXVVLZ-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316565;MM316565;O=c1cc([N+](=O)[O-])nno1;JRKXQNKKXJGKPE-UHFFFAOYSA-N;143.06;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316566;MM316566;CC(CN)CNC(=N)NO;CCMZZQQROFEYPO-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316567;MM316567;C=C(F)c1cc(=O)onn1;LGSRGFJMBCKBIG-UHFFFAOYSA-N;142.09;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316568;MM316568;CC(CO)CNC(=N)NN;CYODFGIAWYAPAF-UHFFFAOYSA-N;146.19;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316569;MM316569;C=CC1OC1C(=O)O;COCRVBZSOJUNQK-UHFFFAOYSA-N;114.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316570;MM316570;CCC(C)CNC(=O)NC;GEZKBQOIOUAYLL-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316571;MM316571;CC(C)n1oc(=O)[nH]c1=O;WORFMGRCFYNZOZ-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316572;MM316572;CCC(C)CNC(=O)NO;SKWBVUJEWLPONB-UHFFFAOYSA-N;146.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316573;MM316573;CC(C)n1oc(=O)oc1=N;PNBJMFALQIVEKN-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316574;MM316574;CNC(=O)NCC(C)CN;JTQYAGCUMLWRFP-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316575;MM316575;CC(C)n1oc(=O)oc1=O;VDIXHKQLWZZDCO-UHFFFAOYSA-N;145.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316576;MM316576;C#CC(C=CC(C)O)CF;CZZHRKSEZKYBMJ-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316577;MM316577;C=C(OCOCC)C(=O)O;HJLJFYBKFPAYSH-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316578;MM316578;CC(CO)CNC(=O)NO;UVAREYDYQJLTQO-UHFFFAOYSA-N;148.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316579;MM316579;Cn1[nH]nc(O)c1=O;TYCXTEVPFBDGNM-UHFFFAOYSA-N;115.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316580;MM316580;CCC(N)CNC(=N)NO;CLWLDPFJPFKJHR-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316581;MM316581;CN(C)n1oc(=O)oc1=N;FFIRBRXGADAIRA-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316582;MM316582;N=C(NO)NCC(N)CN;QBVLXZDJDSSOPD-UHFFFAOYSA-N;147.18;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316583;MM316583;CN(C)n1oc(=O)oc1=O;VYJAUGFQFBCAIS-UHFFFAOYSA-N;146.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316584;MM316584;CNC(=N)NCC(N)CO;MCDYULJONONJKZ-UHFFFAOYSA-N;146.19;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316585;MM316585;C=CC(C)(C(=C)C)C(N)=O;UXMPNRCNIBPORC-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316586;MM316586;N=C(NO)NCC(N)CO;RYAWTOZGJMHYHE-UHFFFAOYSA-N;148.17;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316587;MM316587;CCC(=O)CC=NN(C)C;MISRHKUQDVSZIN-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316588;MM316588;CNC(=N)NCC(N)CF;BHJTUHOSOMGZCN-UHFFFAOYSA-N;148.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316589;MM316589;C=CC(=O)CC(O)C(=O)O;MNPYUWAIUBBSQP-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316590;MM316590;CCC(N)CNC(=O)NC;AXVYNKJZKBCEHI-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316591;MM316591;CC(CO)=NN=CC(=O)O;OJULDEFNUPJPND-UHFFFAOYSA-N;144.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316592;MM316592;CCC(N)CNC(=O)NO;DBUGLSKWIKXFSM-UHFFFAOYSA-N;147.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316593;MM316593;NC(N)=C(NC=O)C(=O)O;FRBMWLJMKCSRND-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316594;MM316594;NCC(N)CNC(=O)NO;ROQUQSHROIZBBA-UHFFFAOYSA-N;148.17;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316595;MM316595;CCOC(=CCO)C(=O)O;ZBYHZZGLJQWWNA-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316596;MM316596;CNC(=O)NCC(N)CO;XDYWQOIHNVMCNG-UHFFFAOYSA-N;147.18;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316597;MM316597;CC(=O)n1oc(=O)[nH]c1=O;VDWNXJXSBJISRZ-UHFFFAOYSA-N;144.09;-1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316598;MM316598;NC(CO)CNC(=O)NO;UCGBUYRZEIPJEC-UHFFFAOYSA-N;149.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316599;MM316599;C=C(C)n1oc(=O)oc1=N;HQXPHTDCTPFNBY-UHFFFAOYSA-N;142.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316600;MM316600;CNC(=N)NCC(O)CN;KPPUBQITNSQTSP-UHFFFAOYSA-N;146.19;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316601;MM316601;CC(=N)n1oc(=O)oc1=N;FWYRGYGTDKLRIB-UHFFFAOYSA-N;143.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316602;MM316602;N=C(NO)NCC(O)CN;KMFQVPLZKPIQEA-UHFFFAOYSA-N;148.17;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316603;MM316603;CC(=O)n1oc(=O)oc1=N;DAKQHHSNRGTLRR-UHFFFAOYSA-N;144.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316604;MM316604;CNC(=N)NCC(O)CO;VZUSCGXNDJQAIR-UHFFFAOYSA-N;147.18;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316605;MM316605;N=c1oc(=O)on1C(N)=O;VCDJWUBQOIITCW-UHFFFAOYSA-N;145.07;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316606;MM316606;N=C(NN)NCC(O)CF;OKUZKSBETVMFLH-UHFFFAOYSA-N;150.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316607;MM316607;O=C(O)C(O)CCO;UFYGCFHQAXXBCF-UHFFFAOYSA-N;120.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316608;MM316608;C=CC(C#CC(C)C)CO;UFKLJBYXPBMOET-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316609;MM316609;C=C(C)n1oc(=O)oc1=O;NUODYRFKUIOWKO-UHFFFAOYSA-N;143.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316610;MM316610;CCC(O)CNC(=O)NO;YBFDETVSJVNNEW-UHFFFAOYSA-N;148.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316611;MM316611;CC(=N)n1oc(=O)oc1=O;ABFIWDYJEVKTGE-UHFFFAOYSA-N;144.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316612;MM316612;CNC(=O)NCC(O)CO;RYMKBEJGCAGRJD-UHFFFAOYSA-N;148.16;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316613;MM316613;CC(=O)n1oc(=O)oc1=O;SGJCFKUGBCSXTP-UHFFFAOYSA-N;145.07;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316614;MM316614;C=C(C)C#CC(CC)CO;BDEOBYGZRVQYQI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316615;MM316615;C=CC1(C)C(C)C1C(N)=O;YTSVGWVJDJIGAZ-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316616;MM316616;O=C(NO)NCC(O)CO;QWSMQZRJUBIJII-UHFFFAOYSA-N;150.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316617;MM316617;NC(=O)n1oc(=O)oc1=O;HQXAYCOPIWXEAR-UHFFFAOYSA-N;146.06;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316618;MM316618;CCC1(C#N)CC(CO)C1;GJHKVXGUFIUSNE-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316619;MM316619;NC(=O)C(CC(=O)O)=NO;FHWPAMJYCYZCBV-UHFFFAOYSA-N;146.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316620;MM316620;O=C(NO)NCC(O)CF;OIJTZDDBMFQAPU-UHFFFAOYSA-N;152.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316621;MM316621;CC(C)n1oc(N)nc1=N;LMFQNOFZTXHABU-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316622;MM316622;CCC(F)CNC(=N)NC;DAWFKVMUIOTRNU-UHFFFAOYSA-N;147.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316623;MM316623;CC(C)n1oc(F)nc1=N;HMFYCOQBMVUDBL-UHFFFAOYSA-N;145.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316624;MM316624;CNC(=N)NCC(F)CF;DDYJOQIXEIEANW-UHFFFAOYSA-N;151.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316625;MM316625;Cc1nc(=O)n(C(C)C)o1;XWQRYNAQKJQDPA-UHFFFAOYSA-N;142.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316626;MM316626;C=CC(O)C(=C)C=CC#N;UPQHUKGXRAZZGI-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316627;MM316627;CC(C)n1oc(N)nc1=O;VEKDQZFOQVGMEL-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316628;MM316628;CNC(=O)NCC(F)CN;AODUJOAXMNWGPU-UHFFFAOYSA-N;149.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316629;MM316629;CC(F)C(NC=O)C(=O)O;VMYGIGSVMSCVPW-UHFFFAOYSA-N;149.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316630;MM316630;C=CC(O)C=CC=CCC;RUZSTVPDGVNEMB-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316631;MM316631;CC(C)n1oc(F)nc1=O;XTLZXNFYVRBCLE-UHFFFAOYSA-N;146.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316632;MM316632;O=C(NO)NCC(F)CF;SJKZIEGZIIWHLO-UHFFFAOYSA-N;154.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316633;MM316633;Cc1nc(=N)n(N(C)C)o1;UTMGZZBBGFDRFT-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316634;MM316634;COC(=N)NCC(C)CO;SWAONSCTBACDTB-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316635;MM316635;CN(C)n1oc(N)nc1=N;AHYZCSSRHBQRHT-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316636;MM316636;COC(=O)NCC(N)CO;ZBXKMPDNURGUNG-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316637;MM316637;CN(C)n1oc(F)nc1=N;AYJYRHREYWAEGL-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316638;MM316638;COC(=N)NCC(O)CO;IKEYBHGTKNMVFP-UHFFFAOYSA-N;148.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316639;MM316639;Cc1nc(=O)n(N(C)C)o1;KQSRQRJHQTVNRY-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316640;MM316640;COC(=N)NCC(O)CF;VFTIXYDDCBMYPI-UHFFFAOYSA-N;150.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316641;MM316641;C=CCC(N)=C(C)C(N)=O;GDEOJHHVSIEUSA-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316642;MM316642;COC(=O)NCC(O)CN;QVZCHEVRLSJQNO-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316643;MM316643;OCC(=NO)C(O)C(F)F;PWUOZIQXMKKVTN-UHFFFAOYSA-N;155.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316644;MM316644;COC(=O)NCC(O)CO;REVRTXFQAIRDES-UHFFFAOYSA-N;149.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316645;MM316645;CN(C)n1oc(F)nc1=O;YNOSTDUVOWFIQI-UHFFFAOYSA-N;147.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316646;MM316646;COC(=O)NCC(O)CF;GOEOVDJGCYYGQM-UHFFFAOYSA-N;151.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316647;MM316647;CC(=N)n1oc(C)nc1=N;ONENZJREFRNWOE-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316648;MM316648;COC(=O)NCC(F)CO;KGMWEKZMFJAMNY-UHFFFAOYSA-N;151.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316649;MM316649;CC(=O)n1oc(C)nc1=N;JDRDIBSDXLWJBT-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316650;MM316650;CCC(=N)NCC(C)NC;FZXDTROEYPKTGD-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316651;MM316651;Cc1nc(=N)n(C(N)=O)o1;XYQUJVCOTCLQLY-UHFFFAOYSA-N;142.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316652;MM316652;CNC(C)CNC(=N)CO;IWEMLXVEWVNXBM-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316653;MM316653;CN(C)C(=NC=N)C(=O)O;JRHAIDIRFGIOOA-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316654;MM316654;CNC(C)CNC(=N)CF;QNPYHKBAQWYSOI-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316655;MM316655;C=C(C)n1oc(N)nc1=N;ZGOOECNGWWQXHX-UHFFFAOYSA-N;140.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316656;MM316656;CNC(C)CNC(=O)CF;FQPYPBAZAAEWEK-UHFFFAOYSA-N;148.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316657;MM316657;C=CCC(=CNC)C(N)=O;XQMSFPMNFIUGQQ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316658;MM316658;CNC(C)CNC(=O)NN;OMIJEWFYJPUCMS-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316659;MM316659;N=C(N)n1oc(N)nc1=N;DBHMMRVEKJCVGF-UHFFFAOYSA-N;142.12;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316660;MM316660;CNC(C)CNC(=O)NO;FTWIESCHIMUHES-UHFFFAOYSA-N;147.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316661;MM316661;N=c1nc(N)on1C(N)=O;GKTJFLKZDIAGJV-UHFFFAOYSA-N;143.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316662;MM316662;CNC(C)CNC(=O)OC;YJENGLYIMAZDPR-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316663;MM316663;NNC(=O)OCC(=O)O;LRNLOSWIORNDOO-UHFFFAOYSA-N;134.09;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316664;MM316664;CCC(=N)NCC(C)OC;GBGKUCHUYYOKRL-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316665;MM316665;C=Nn1[nH]cc(F)c1=N;AAAFUMFTKXSCBP-UHFFFAOYSA-N;128.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316666;MM316666;COC(C)CNC(=N)CN;VUHKATLTJUQHLL-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316667;MM316667;N#CC(CNCCF)=NO;OFZPWUCWGCRDRX-UHFFFAOYSA-N;145.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316668;MM316668;COC(C)CNC(=N)CO;AADZHJAWZJAXHW-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316669;MM316669;C#CC(F)(C=O)CC(=O)O;DIUVWXLFZVXOCG-UHFFFAOYSA-N;144.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316670;MM316670;COC(C)CNC(=O)CO;GDYCYZYDDPYLGC-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316671;MM316671;O=c1n(O)c(O)c(O)n1O;QIDTUPYXJDISMA-UHFFFAOYSA-N;148.07;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316672;MM316672;COC(C)CNC(=O)CF;XVINHOCNZCRVFQ-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316673;MM316673;C=C(C)n1oc(F)nc1=N;ZKKMCBNFNGNTGE-UHFFFAOYSA-N;143.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316674;MM316674;COC(C)CNC(=N)NN;LEUARXPNBJIKKI-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316675;MM316675;CC(=N)n1oc(F)nc1=N;LRTIXJLDJJNVRA-UHFFFAOYSA-N;144.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316676;MM316676;COC(C)CNC(=N)NO;JXTWQQJVVHXFRA-UHFFFAOYSA-N;147.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316677;MM316677;CC(=O)n1oc(F)nc1=N;HQQFKOPOEMIKPF-UHFFFAOYSA-N;145.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316678;MM316678;C=CC=CC=CC(O)C=C;JEPWFGXPHNLIFO-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316679;MM316679;N=c1nc(F)on1C(N)=O;BIRYBCYNMGZQLT-UHFFFAOYSA-N;146.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316680;MM316680;COC(=N)NCC(C)OC;JSXMKTKEXRQOOX-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316681;MM316681;C=C(C)n1oc(C)nc1=O;CXVINAGELJUOIW-UHFFFAOYSA-N;140.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316682;MM316682;C=C(CC)OCC(C)CC;FYJMFKOIDYJGCS-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316683;MM316683;CC(=N)n1oc(C)nc1=O;OWOKJMOOCFCEQH-UHFFFAOYSA-N;141.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316684;MM316684;C=C(CN)OCC(C)CC;PBEVUCKAMOYKPL-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316685;MM316685;CC(=O)n1oc(C)nc1=O;BJOIKDRDDGKDJE-UHFFFAOYSA-N;142.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316686;MM316686;C=C(CO)OCC(C)CC;IAIXRLRDLNUQDO-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316687;MM316687;Cc1nc(=O)n(C(=N)N)o1;NCPCADNGECPTDO-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316688;MM316688;C=C(CF)OCC(C)CC;FEXLGRYKZVGAMD-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316689;MM316689;Cc1nc(=O)n(C(N)=O)o1;GKVXMFIPNSDPTO-UHFFFAOYSA-N;143.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316690;MM316690;C=C(CO)OCC(C)CN;WRLDQZPVYBHGAB-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316691;MM316691;Cc1nc(=O)n(C(=O)O)o1;SFFNGMBYBSMSJE-UHFFFAOYSA-N;144.09;-0.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316692;MM316692;C=C(CF)OCC(C)CN;UOZGBUQBSPXBOF-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316693;MM316693;C=C(C)n1oc(N)nc1=O;DUOLVNDWKIZVCA-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316694;MM316694;CCC(C)COC(=O)CO;YXFPPCRWYUUKFF-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316695;MM316695;CCC(=O)OCC(C)CN;VZTJXUWKKIETGE-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316696;MM316696;CC(C)C(NC=O)C(C)C;JDWVICHVPTYXQY-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316697;MM316697;CCC(=O)OCC(C)CO;WBFNSPMKBOSNLN-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316698;MM316698;CC(=O)n1oc(N)nc1=O;ALRJNCFLAFMGEL-UHFFFAOYSA-N;143.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316699;MM316699;CC(CO)COC(=O)CO;LTXAIMWKHSBTSC-UHFFFAOYSA-N;148.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316700;MM316700;O=CCNN(C=O)CC=O;FJZDJBDTPBXMDM-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316701;MM316701;CC(CF)COC(=O)CF;XNPSMUCVDYWBQD-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316702;MM316702;NC(=O)n1oc(N)nc1=O;MPQKTLVQHSINET-UHFFFAOYSA-N;144.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316703;MM316703;C=C(CO)OCC(N)CC;MVUCIXBENJWUBB-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316704;MM316704;NC(=O)CC(=O)O;CGJMROBVSBIBKP-UHFFFAOYSA-N;103.08;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316705;MM316705;C=C(CN)OCC(N)CN;GBLGCMSXOKWEDS-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316706;MM316706;C#CC(=CC(=O)O)OC=C;AREKTIPCHCWTRT-UHFFFAOYSA-N;138.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316707;MM316707;C=C(CO)OCC(N)CN;BGGFJHWFRJZQAD-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316708;MM316708;O=c1[nH]oc(O)cc1=NO;RXQWPZMMPJJDFF-UHFFFAOYSA-N;144.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316709;MM316709;C=C(CC)OCC(N)CO;ICYJXLKJJOOZRG-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316710;MM316710;C=C(OC(C)OC)C(=O)O;GAQMNMXAYAZWQB-UHFFFAOYSA-N;146.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316711;MM316711;C=C(CO)OCC(N)CO;KFOSRCPVXSJAIO-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316712;MM316712;O=CNC(CC(=O)O)=NO;UABLEECDOZWMGI-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316713;MM316713;C=C(CO)OCC(N)CF;PEMMASGPTZPQAF-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316714;MM316714;C#CCc1nc(F)c(O)o1;CFFHFRPVMUCNEC-UHFFFAOYSA-N;141.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316715;MM316715;CCC(=O)OCC(N)CC;YXARLHYEENBAIB-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316716;MM316716;O=C(O)COC(CO)CO;JTGALHZFHCLZDX-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316717;MM316717;NCC(N)COC(=O)CO;ATDSJUDAFYVOEW-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316718;MM316718;C=C(C)n1oc(F)nc1=O;UIGZIZYFVBXKBF-UHFFFAOYSA-N;144.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316719;MM316719;NC(CO)COC(=O)CO;KAKNXRDMTXKKSE-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316720;MM316720;CC(=N)n1oc(F)nc1=O;IVVJXTUKJXOFDP-UHFFFAOYSA-N;145.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316721;MM316721;C=C(CN)OCC(O)CC;XJMPMGRPZBVKTB-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316722;MM316722;CC(=O)n1oc(F)nc1=O;PWMMQADJZGTZGD-UHFFFAOYSA-N;146.08;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316723;MM316723;C=C(CC)OCC(O)CN;XDQDFAJOSRYVHL-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316724;MM316724;CC=CC1=NOC(C=O)C1;ROAOAXKSYZSOHD-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316725;MM316725;C=C(CC)OCC(O)CO;PMZNWNGFRURVME-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316726;MM316726;NC(=O)n1oc(F)nc1=O;VTTNBLDOFDJQAE-UHFFFAOYSA-N;147.07;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316727;MM316727;C=C(CO)OCC(O)CO;GAHYBJVPNLBCJP-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316728;MM316728;O=C(O)n1oc(F)nc1=O;GIYORIXLHXVPDA-UHFFFAOYSA-N;148.05;-0.5;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316729;MM316729;C=C(CC)OCC(O)CF;JLPVBHONTLMSLB-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316730;MM316730;C=c1[nH]c(=N)[nH]c1=C(C)F;QQOMMNPQZSYNOO-UHFFFAOYSA-N;141.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316731;MM316731;C=C(CF)OCC(O)CF;CKNWUOBXGHHBSH-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316732;MM316732;C=c1[nH]c(=O)[nH]c1=C(C)F;MHZMGTPLPJDPIG-UHFFFAOYSA-N;142.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316733;MM316733;CCC(O)COC(=O)CO;YIWNJNYWSGGXCB-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316734;MM316734;C=c1[nH]c(=N)c(=C(C)C)o1;UIELAPFRLIQSGF-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316735;MM316735;NCC(O)COC(=O)CO;ZXHSAQXOWNIHMA-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316736;MM316736;C=c1[nH]c(=N)c(=C(C)N)o1;BLHAYFHFCJIZRB-UHFFFAOYSA-N;139.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316737;MM316737;O=C(CO)OCC(O)CO;KWTJPIGWGDYEHM-UHFFFAOYSA-N;150.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316738;MM316738;C=c1[nH]c(=N)c(=C(C)F)o1;QXDGDURLMMLWEX-UHFFFAOYSA-N;142.13;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316739;MM316739;C=C(CN)OCC(F)CC;TYKKQCDZFVYSDP-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316740;MM316740;C=c1[nH]c(=N)c(=C(N)N)o1;UUBVKEPJLKQZKB-UHFFFAOYSA-N;140.15;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316741;MM316741;C=C(CO)OCC(F)CC;BJRJTVOYJJYHNI-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316742;MM316742;C=c1[nH]c(=O)c(=C(C)C)o1;KBMHICXIHHLEAL-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316743;MM316743;C=C(CO)OCC(F)CN;OSCOOODNQMYDLO-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316744;MM316744;C=c1[nH]c(=O)c(=C(C)N)o1;URZAHSRBLAJAJK-UHFFFAOYSA-N;140.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316745;MM316745;C=C(CO)OCC(F)CO;XNLPLRCOUQDBCW-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316746;MM316746;C=c1[nH]c(=O)c(=C(C)F)o1;FVZHJOJSCISJTF-UHFFFAOYSA-N;143.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316747;MM316747;C=c1[nH]c(=O)c(=C(N)N)o1;IRVXCLGGWSKFOO-UHFFFAOYSA-N;141.13;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316748;MM316748;CCC(=O)OCC(F)CN;RGTCZUZDHGKABB-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316749;MM316749;C=c1[nH]c(=O)c(=C(F)F)o1;OWRTZAUBHYYXGQ-UHFFFAOYSA-N;147.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316750;MM316750;NCC(F)COC(=O)CO;RNPGEFZQHZZOIK-UHFFFAOYSA-N;151.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316751;MM316751;C=c1cc(C)oc1=C(C)C;RRFLLOQRCFTORD-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316752;MM316752;O=C(CF)OCC(F)CO;DATWWBZPQLXTHC-UHFFFAOYSA-N;154.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316753;MM316753;C=c1cc(C)oc1=C(C)F;AWKVUYSXBINIKZ-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316754;MM316754;CCC(=O)OCC(F)CF;BPEKHYUVFJCREZ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316755;MM316755;C=c1cc(C)oc1=C(F)F;BNZZNPAZIZSWMY-UHFFFAOYSA-N;144.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316756;MM316756;O=C(CO)OCC(F)CF;SYXNBGJYQFYHBJ-UHFFFAOYSA-N;154.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316757;MM316757;C=c1cc(C)c(=C(C)C)o1;YCBZMAUBXXXUSX-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316758;MM316758;CC(CN)COC(=N)NO;ZBRQHUDZXZDLCQ-UHFFFAOYSA-N;147.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316759;MM316759;C=c1cc(C)c(=C(C)F)o1;HWCCSXXHDOMLLP-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316760;MM316760;CNC(=N)OCC(C)CF;MXKJNSBRZVCUEP-UHFFFAOYSA-N;148.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316761;MM316761;C=c1cc(C)c(=C(F)F)o1;OHRCYWAUOSNOMP-UHFFFAOYSA-N;144.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316762;MM316762;CCC(C)COC(=O)NC;LBLODDLQYNSERY-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316763;MM316763;C=c1cc(F)c(=C(C)C)o1;BBVFMMHXTHQLSD-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316764;MM316764;N=C(NO)OCC(N)CN;OYLIKRFXEKVROH-UHFFFAOYSA-N;148.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316765;MM316765;C=c1cc(F)c(=C(C)F)o1;IDFYMICVZWBURF-UHFFFAOYSA-N;144.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316766;MM316766;N=C(NO)OCC(N)CO;SSLOCMKYRBORAR-UHFFFAOYSA-N;149.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316767;MM316767;C=c1cc(F)c(=C(F)F)o1;BUSOOVMMYYZZKK-UHFFFAOYSA-N;148.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316768;MM316768;CCC(N)COC(=O)NC;MDNRYNXMHLLWFW-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316769;MM316769;C=c1oc(C)cc1=C(C)C;GSNOHAXTRPULPT-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316770;MM316770;N=C(NO)OCC(O)CN;GURXYJBNKZVSSC-UHFFFAOYSA-N;149.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316771;MM316771;C=c1oc(C)cc1=C(C)F;PEVADMXCWCOSCR-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316772;MM316772;CNC(=N)OCC(O)CO;NTGOJOCHSMJELG-UHFFFAOYSA-N;148.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316773;MM316773;C=c1oc(C)cc1=C(F)F;KIDKJLIBEUAWCJ-UHFFFAOYSA-N;144.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316774;MM316774;CNC(=N)OCC(O)CF;YNDSKLZSXMTTOV-UHFFFAOYSA-N;150.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316775;MM316775;Cc1oc(=O)oc1C(C)C;JMCBXVDOSKPCPH-UHFFFAOYSA-N;142.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316776;MM316776;C=CC(O)C=CC=CC=O;YQAGPWUERVDSJA-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316777;MM316777;Cc1oc(=O)oc1C(C)N;ZUSNMMZFPUIJRT-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316778;MM316778;CNC(=N)OCC(F)CO;HAASNUACTPCBDF-UHFFFAOYSA-N;150.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316779;MM316779;Cc1oc(=O)oc1C(C)O;HCWOKULEDJHMLY-UHFFFAOYSA-N;144.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316780;MM316780;CNC(=O)OCC(F)CO;MTDOMECUOHXXOV-UHFFFAOYSA-N;151.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316781;MM316781;Cc1oc(=O)oc1C(C)F;OTXPYPPFIJIWNP-UHFFFAOYSA-N;146.12;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316782;MM316782;CCC(C)COC(=O)OC;OSDSZRXJVLADJX-UHFFFAOYSA-N;146.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316783;MM316783;Cc1oc(=O)oc1C(F)F;AYBHBZFDPNLNMY-UHFFFAOYSA-N;150.08;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316784;MM316784;COC(=O)OCC(N)CN;MHMHTPJUARDVCO-UHFFFAOYSA-N;148.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316785;MM316785;CC(C)c1oc(=O)oc1N;ZOEYIQDHPNQVGY-UHFFFAOYSA-N;143.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316786;MM316786;COC(=O)OCC(N)CO;ACFZLGDINDSEKX-UHFFFAOYSA-N;149.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316787;MM316787;CC(N)c1oc(=O)oc1N;LKOPJKLWALFYDQ-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316788;MM316788;CC(O)c1oc(=O)oc1N;JZRMMKRRZXELGQ-UHFFFAOYSA-N;145.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316789;MM316789;COC(=O)OCC(O)CN;CEMHTWCEZPSATQ-UHFFFAOYSA-N;149.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316790;MM316790;CC(F)c1oc(=O)oc1N;IBITXGOPINHQGN-UHFFFAOYSA-N;147.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316791;MM316791;COC(=O)OCC(O)CF;NFCJAENAQHFEEH-UHFFFAOYSA-N;152.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316792;MM316792;Nc1oc(=O)oc1C(F)F;XADBKCKWURPQHF-UHFFFAOYSA-N;151.07;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316793;MM316793;COC(=O)OCC(F)CO;LNPVKKLRZRZWRZ-UHFFFAOYSA-N;152.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316794;MM316794;CNC(=O)CC(O)C(=O)O;SOAFRLMBMVIVNY-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316795;MM316795;C=C(CN)OCC(C)NC;BHSICQKWKZTZML-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316796;MM316796;C=C(CF)OCC(C)NC;PXWXQBOZOXJZGO-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316797;MM316797;COC(C(=O)O)=C(C)CO;JOIGPSFRRUTRBQ-UHFFFAOYSA-N;146.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316798;MM316798;CCC(=O)OCC(C)NC;HHLQSBUWRWRQSC-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316799;MM316799;Oc1conc1O;PWTHTFSSWAYMPE-UHFFFAOYSA-N;101.06;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316800;MM316800;CNC(=N)OCC(C)NC;YNMHXJCNRXJELN-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316801;MM316801;C=CCC1=CC(=CO)N=N1;YYHDSXONSDREJK-UHFFFAOYSA-N;136.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316802;MM316802;CNC(C)COC(=N)NO;TVOGYWJOHBEHTI-UHFFFAOYSA-N;147.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316803;MM316803;CC(C)c1oc(=O)oc1F;SCHQVVDTCOEAOM-UHFFFAOYSA-N;146.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316804;MM316804;CNC(=O)OCC(C)NC;PIPVDGIHGWQMSG-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316805;MM316805;CC(N)c1oc(=O)oc1F;SPQWEIBUIMXVBT-UHFFFAOYSA-N;147.11;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316806;MM316806;C=C(CO)OCC(C)OC;OOMHIYVTKLZYJV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316807;MM316807;CC(O)c1oc(=O)oc1F;HZRFEOPVNVBHPM-UHFFFAOYSA-N;148.09;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316808;MM316808;C#CC=CC=CC(O)C=C;JMUQQONSIYCIRM-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316809;MM316809;CC(F)c1oc(=O)oc1F;QWYXOVZKTNCXBN-UHFFFAOYSA-N;150.08;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316810;MM316810;COC(C)COC(=O)NO;JEJJVAGBHJQJFQ-UHFFFAOYSA-N;149.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316811;MM316811;O=c1oc(F)c(C(F)F)o1;GIGRUDLTBAEJIB-UHFFFAOYSA-N;154.04;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316812;MM316812;C=C(CC)CNC(C)CC;JZHFIMJDWFHHGE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316813;MM316813;Cc1oc(=O)oc1N(C)C;VESFSOLNAXYCDJ-UHFFFAOYSA-N;143.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316814;MM316814;C=C(CF)CNC(C)CC;MKUNZRHCLPKUKY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316815;MM316815;CN(C)c1oc(=O)oc1N;QVSGPONAHABKTD-UHFFFAOYSA-N;144.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316816;MM316816;C=C(CN)CNC(C)CN;GQLLRJOIXMWASX-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316817;MM316817;ON=c1nnc(O)c(F)o1;CAKZKGVIMGRFEE-UHFFFAOYSA-N;147.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316818;MM316818;C=C(CO)CNC(C)CN;MHQRNAQUJXWIJW-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316819;MM316819;CN(C)c1oc(=O)oc1F;DDWPEQCQZUUWMJ-UHFFFAOYSA-N;147.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316820;MM316820;C=C(CF)CNC(C)CN;WWXDDJNTHDKMTA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316821;MM316821;C=C(C)c1oc(=O)oc1C;FQDGCOIMVZYKJJ-UHFFFAOYSA-N;140.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316822;MM316822;C=C(CC)CNC(C)CO;QCNNZMWBIALNHN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316823;MM316823;CC(=O)c1oc(=O)oc1C;KEUKKKJIYFIUBW-UHFFFAOYSA-N;142.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316824;MM316824;C=C(CC)CNC(C)CF;HVGIXZWALUIOPJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316825;MM316825;Cc1oc(=O)oc1C(=N)N;BUWNOUPFTHORQH-UHFFFAOYSA-N;142.11;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316826;MM316826;CCC(=O)CNC(C)CC;DMSFYOVKPFMIES-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316827;MM316827;Cc1oc(=O)oc1C(N)=O;CSZIVIVCOXYDPT-UHFFFAOYSA-N;143.1;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316828;MM316828;CCC(C)NCC(=N)NN;IMIGPPFRYCMQGL-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316829;MM316829;NC(=O)C(C(=O)O)=C(N)N;JZJDHOCTCIDKAJ-UHFFFAOYSA-N;145.12;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316830;MM316830;CCC(C)NCC(=N)NO;BGXLNPITFMGACS-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316831;MM316831;Cc1oc(=O)oc1[N+](=O)[O-];XCHBRAYBLVSUFG-UHFFFAOYSA-N;145.07;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316832;MM316832;CC(CO)NCC(=N)NO;KZTORIJVHFZKEN-UHFFFAOYSA-N;147.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316833;MM316833;C=C(F)c1oc(=O)oc1C;PZHZUYCEQWWRNV-UHFFFAOYSA-N;144.1;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316834;MM316834;CC(CF)NCC(=N)NO;BSJYVYKPYKJUCX-UHFFFAOYSA-N;149.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316835;MM316835;C=C(C)c1oc(=O)oc1N;NPVZPEUMTMQCID-UHFFFAOYSA-N;141.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316836;MM316836;C=C(CNC(C)CN)OC;ZBOUIGWROOMUFE-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316837;MM316837;CC(=O)c1oc(=O)oc1N;GXQHPZFHPTZDFG-UHFFFAOYSA-N;143.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316838;MM316838;COC(=O)CNC(C)CF;GPKPZBLCYPHTEK-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316839;MM316839;N=C(N)c1oc(=O)oc1N;UWLFRGDZQXARSE-UHFFFAOYSA-N;143.1;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316840;MM316840;CCC(=N)NNC(C)CC;BBBLYUWRFCHPIT-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316841;MM316841;NC(=O)c1oc(=O)oc1N;FONQKHZLAMNACK-UHFFFAOYSA-N;144.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316842;MM316842;CC(CF)NNC(=N)CN;YXCSFKSEVRZREF-UHFFFAOYSA-N;148.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316843;MM316843;CNN=C(CO)C(=O)O;LTZXJRVWAJMGKA-UHFFFAOYSA-N;132.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316844;MM316844;CNC(=N)NNC(C)CO;PGVYVAVELFSHCQ-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316845;MM316845;Nc1oc(=O)oc1[N+](=O)[O-];WWHJUDILVOEDEK-UHFFFAOYSA-N;146.06;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316846;MM316846;CC(CO)NNC(=N)NN;ZGUAQKIABLYSEU-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316847;MM316847;C=C(F)c1oc(=O)oc1N;ZXICKSMVIDMESN-UHFFFAOYSA-N;145.09;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316848;MM316848;N#CC=CNC(C=O)CF;UKTKBLUPKRGNTA-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316849;MM316849;N=C(CC(=O)O)N(O)C=O;LVWGMHTUXJFJOC-UHFFFAOYSA-N;146.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316850;MM316850;CC(CO)NNC(=O)NO;VJDDFPDTLYPLLK-UHFFFAOYSA-N;149.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316851;MM316851;Nc1nocc1O;HJYHREVZSGVZRP-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316852;MM316852;C=C(CC)COC(C)CC;QSLCJNAJXIRWLI-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316853;MM316853;NN=c1o[nH]c(F)c1F;SNNNNSBLJNIGFY-UHFFFAOYSA-N;135.07;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316854;MM316854;C=C(CN)COC(C)CC;SKCZLXBGVRWLMY-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316855;MM316855;Nc1n[nH]n(N)c1=O;RLVMXZABWCGFFV-UHFFFAOYSA-N;115.1;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316856;MM316856;C#Cc1onc(NC)c1O;IQLLRUXIRKFUIK-UHFFFAOYSA-N;138.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316857;MM316857;C=C(CO)COC(C)CC;SGLDDNKNGJQGBX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316858;MM316858;C=C(CF)COC(C)CC;FNAAOXJHRCYMAI-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316859;MM316859;CC(COCC(=O)O)=NO;IBNKLRVVCWHBAB-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316860;MM316860;C=C(CC)COC(C)CN;AWVKAZZBYLXBDF-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316861;MM316861;C=C(C)c1oc(=O)oc1F;SGLZBIZYJHDCGO-UHFFFAOYSA-N;144.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316862;MM316862;C=C(CN)COC(C)CO;IYYUPTGZMKWDKX-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316863;MM316863;CC(=O)c1oc(=O)oc1F;ZRGKTKVBAVZRPS-UHFFFAOYSA-N;146.07;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316864;MM316864;C=C(CO)COC(C)CO;PHCZORJMYHKSQS-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316865;MM316865;NC(=O)c1oc(=O)oc1F;NEOPGWXPFYOLBI-UHFFFAOYSA-N;147.06;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316866;MM316866;C=C(CF)COC(C)CO;BFTVTHNIBQNMMV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316867;MM316867;Cc1n[nH]c(O)n1;XLSXXXARCKJHOR-UHFFFAOYSA-N;99.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316868;MM316868;C=C(CN)COC(C)CF;BQNHXGIIJPLPNG-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316869;MM316869;O=c1oc(F)c([N+](=O)[O-])o1;LVHKDWWYENZTMR-UHFFFAOYSA-N;149.03;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316870;MM316870;CCC(C)OCC(=O)CF;YCXUUTIAGOCBTL-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316871;MM316871;C=C(F)c1oc(=O)oc1F;CFVVLXACDKUUPG-UHFFFAOYSA-N;148.06;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316872;MM316872;CC(CO)OCC(=O)CF;ISNOKPUKPNCQCH-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316873;MM316873;C#CCC12CC(C)CC1C2;KFFWHBRCSAMBHJ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316874;MM316874;CCC(C)OCC(=N)NC;KIZYTALQBIMQDU-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316875;MM316875;CC=CC1NC1C(=O)C#N;RQICULPCJQFGJI-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316876;MM316876;CCC(C)OCC(=N)NO;JBCINNQAJNEHGN-UHFFFAOYSA-N;146.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316877;MM316877;C#CCC12CC(F)CC1C2;IKRRTRKIPFNECX-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316878;MM316878;CNC(=N)COC(C)CN;GHLIOIRHUUPEHM-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316879;MM316879;C#CCC12CC(C)NC1C2;QBXGKQZURWOGKJ-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316880;MM316880;CNC(=N)COC(C)CO;AHCOIWLCUFHXHA-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316881;MM316881;C#CCC12CC1CN(C)C2;HFUNDEXWOFXXGH-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316882;MM316882;CC(CO)OCC(=N)NN;AIYMFWCAHGEVGQ-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316883;MM316883;C#CCC12CC(=C)CC1C2;YSHCVLJJGCEYMM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316884;MM316884;CC(CO)OCC(=N)NO;WYOVJCNAXKHJRU-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316885;MM316885;C#CCC12CC(=O)CC1C2;DKEKJJYUHCCJJH-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316886;MM316886;CNC(=O)COC(C)CN;DFEXMFUUHQXCRN-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316887;MM316887;C#CCC12CC1CC(=O)N2;UYLYTHGLBSSLHX-UHFFFAOYSA-N;135.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316888;MM316888;CC(CN)OCC(=O)NO;WPWBLUZAILSMHX-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316889;MM316889;C#CCC12CC1NC(=N)N2;QUQKZQYMSCVGMX-UHFFFAOYSA-N;135.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316890;MM316890;CNC(=O)COC(C)CO;RWMGKBCJAAFANU-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316891;MM316891;CC=CC12CC(N)CC1C2;AZUJMUAUBGVGFX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316892;MM316892;C#CC(C=CC#CC)CO;BVUVEAXHFLUYDH-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316893;MM316893;CC#CC12CC(N)CC1C2;UZEUYOJPRNCTOO-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316894;MM316894;CC(CO)OCC(=O)NO;IKONOKDAHRZHLG-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316895;MM316895;CC#CC12CC1CC(C)N2;KMHGZAWIUPSHBR-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316896;MM316896;C=C(COC(C)CC)OC;OKUCMWCRLICXCD-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316897;MM316897;C=C1CC2NC2(C#CC)C1;DCVONOYRZGJDAH-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316898;MM316898;CCC(C)OCC(=O)OC;RRZSAAVBFJKDTC-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316899;MM316899;C#CCC12CC(C)=CC1C2;URMYJHMUEFFLBJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316900;MM316900;COC(=O)COC(C)CO;YQRIUBCSMZHIJO-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316901;MM316901;C#CCC12CC1C=C(C)O2;DOJCTCDRCYSLQC-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316902;MM316902;C=C(CF)COC(C)OC;OTFCPJDGDDWEPM-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316903;MM316903;CC#CC12CC(C)=CC1C2;CJNKBPJMQKZRPZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316904;MM316904;CC#CC12CC(F)=CC1C2;VMHRYTYXHMHLFL-UHFFFAOYSA-N;136.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316905;MM316905;COC(C)OCC(=N)NN;KJINQIXSQUIXOQ-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316906;MM316906;CC#CC12CC(C)=CC1N2;LJQUIEGWBUZEQR-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316907;MM316907;COC(C)OCC(=N)NO;ZHXCCRQULPEKOU-UHFFFAOYSA-N;148.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316908;MM316908;CC1CC1C1C(C)C1(C)C;LVXYALTZHGMEIM-UHFFFAOYSA-N;138.25;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316909;MM316909;C=C(COC(C)OC)OC;CCUVGSBIGNCXGU-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316910;MM316910;CC1C(C2CC2N)C1(C)C;NZKHUPYDODHUCX-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316911;MM316911;CC(CN)ONC(=N)CO;CNJGRDDBTSUSRI-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316912;MM316912;CC1(CC(N)=O)CC1;OMBBCOIQZBYGKC-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316913;MM316913;CCC(=N)NOC(C)CO;WLRRXSBSMSUHDZ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316914;MM316914;CC1C(C2CC2F)C1(C)C;BSYWIIKPCHILEJ-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316915;MM316915;CC(CO)ONC(=N)CO;KDXLNCNNPHYYBB-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316916;MM316916;CC1CC1C1C(N)C1(C)C;NZJXCWGBGGMCFY-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316917;MM316917;Oc1cnoc1F;QLYARSYQPSZIKR-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316918;MM316918;CC1(C)C(N)C1C1CC1O;IVHYKHFQJBYFCT-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316919;MM316919;CCC(C)ONC(=N)NC;IHKUEDGRIKFKIG-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316920;MM316920;CC1(C)C(N)C1C1CC1F;XXMXZLBWVZLKRY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316921;MM316921;CNC(=N)NOC(C)CN;PALQTEQNPPCDKB-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316922;MM316922;COc1cc(N)no1;PVDLBNRYTGXVPC-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316923;MM316923;CC(CN)ONC(=N)NO;HANCZDVAKLVMSR-UHFFFAOYSA-N;148.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316924;MM316924;CC1(C)C(O)C1C1CC1N;USDGKCUWLIQUTQ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316925;MM316925;CNC(=N)NOC(C)CO;ZTVMFJJOTCFOBZ-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316926;MM316926;CC1(C)C(O)C1C1CC1O;WSJNZGCWYREOKF-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316927;MM316927;CC(CO)ONC(=N)NN;PKMRUQMNSXPEFR-UHFFFAOYSA-N;148.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316928;MM316928;CC1CC1C1C(C)C1(C)N;GDBXIPYQRJEUIH-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316929;MM316929;CC(CO)ONC(=N)NO;BHNZZXVWAHATEL-UHFFFAOYSA-N;149.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316930;MM316930;CC1C(C2CC2N)C1(C)N;KVZVKTPMXCYKHA-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316931;MM316931;CC(CF)ONC(=N)NN;JRRWBIXNTQBZRV-UHFFFAOYSA-N;150.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316932;MM316932;CC1C(C2CC2O)C1(C)N;FMINXYGRHJFYTG-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316933;MM316933;CC(CF)ONC(=N)NO;MJDCSDWXQNEAAH-UHFFFAOYSA-N;151.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316934;MM316934;CC1C(C2CC2F)C1(C)N;OCQRKWLKOBQWTQ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316935;MM316935;CCC(C)ONC(=O)NC;UVUZIZKWUXMUAC-UHFFFAOYSA-N;146.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316936;MM316936;CC1CC1C1C(N)C1(C)N;PFBPFLOFYIXFBJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316937;MM316937;CC(CN)ONC(=O)NO;DVSNBXOLBSCXEX-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316938;MM316938;CC1CC1C1C(O)C1(C)N;YGGZAHAXYZUFNC-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316939;MM316939;CNC(=O)NOC(C)CO;RGFAAHMRBDVKMG-UHFFFAOYSA-N;148.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316940;MM316940;C=CCC(N)=CC(N)=O;ABNVLSXCTHYTAS-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316941;MM316941;CC(CO)ONC(=O)NN;FRZWHZXLRGXFPR-UHFFFAOYSA-N;149.15;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316942;MM316942;CC1C(C2CC2N)C1(C)O;WGPBPZMDQJRKJF-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316943;MM316943;CC(CO)ONC(=O)NO;CNNSCJIVCRNHLD-UHFFFAOYSA-N;150.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316944;MM316944;CC1C(C2CC2O)C1(C)O;OUAUNJBMXGCVQU-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316945;MM316945;CC(CF)ONC(=O)NN;OJTIYYONLPLADP-UHFFFAOYSA-N;151.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316946;MM316946;CC1C(C2CC2F)C1(C)O;KMSUMFGCNNLQGF-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316947;MM316947;COC(=O)NOC(C)CO;ORGNKBSTWGYJMR-UHFFFAOYSA-N;149.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316948;MM316948;CC1CC1C1C(N)C1(C)O;DLYHWAHWVOLTNB-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316949;MM316949;COC(C)ONC(=N)CF;VGDJCPGTETWWNG-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316950;MM316950;CC1CC1C1C(O)C1(C)O;DVZJHPKEHUMBIY-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316951;MM316951;CC1C(C(=O)O)N1C=O;UMXGAUXRQFUNMT-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316952;MM316952;CC1CC1C1C(C)C1(C)F;FFYZOVDWQXLCCF-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316953;MM316953;COC(C)ONC(=N)NN;RXOFAMJCPCDHDL-UHFFFAOYSA-N;148.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316954;MM316954;CC1C(C2CC2O)C1(C)F;SIHXJTJTJGZYQL-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316955;MM316955;COC(C)ONC(=O)NN;DWVUQRJLSZYRBS-UHFFFAOYSA-N;149.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316956;MM316956;CC1C(C2CC2F)C1(C)F;ZDARULQKIQVTMK-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316957;MM316957;C=C(CC)CCN(C)CC;RNHQLJZPANBZNC-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316958;MM316958;CC1CC1C1C(N)C1(C)F;BGJJRXPFTOGYTF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316959;MM316959;C=C(CO)CCN(C)CC;LAABPENLYVZAKQ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316960;MM316960;CC1(F)C(N)C1C1CC1F;FYJOKHUIMKPSOI-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316961;MM316961;C=C(CF)CCN(C)CC;WHWNHBVXGXERHN-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316962;MM316962;CC1CC1C1C(O)C1(C)F;ZTIGBIRCWWKLEL-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316963;MM316963;CCC(=O)CCN(C)CC;TVEPBLNYXCVYGQ-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316964;MM316964;CC1C(C2CC2O)C1(F)F;YRWWBUYIAIQSIS-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316965;MM316965;CCN(C)CCC(=O)CO;FJTLTWQRDCUISJ-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316966;MM316966;NC1CC1C1C(N)C1(F)F;LONOOXSSDSNKRB-UHFFFAOYSA-N;148.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316967;MM316967;CCN(C)CCC(=O)CF;JBQQWORVNOGIDZ-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316968;MM316968;CC1NC1C1C(N)C1(C)C;HRDHLWAYISDNTD-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316969;MM316969;CCN(C)CCC(=O)NC;DUESDRCJGOVSCK-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316970;MM316970;CC1NC1C1C(C)C1(C)N;CRIRBUVLLFRWPR-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316971;MM316971;CC1NC1C1C(N)C1(C)N;YVBUWORFAGZVHJ-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316972;MM316972;CCN(C)CCC(=O)NN;PAXHGQDTVDDEBT-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316973;MM316973;CC1NC1C1C(N)C1(C)F;GCJUHWKGNPBHEM-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316974;MM316974;CCN(C)CCC(=O)NO;HFSFAVBDGUWBJS-UHFFFAOYSA-N;146.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316975;MM316975;CC1OC1C1C(C)C1(C)C;CMKPGYBANPLYBL-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316976;MM316976;C=C(CCN(C)CC)OC;VEPMIMDZJGUQNI-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316977;MM316977;CC1OC1C1C(C)C1(C)N;YJMXQDYLYZUREK-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316978;MM316978;CCN(C)CCC(=O)OC;UNTJONWJKIFHDR-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316979;MM316979;CC1OC1C1C(N)C1(C)O;OQCYOZRKVXFZOK-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316980;MM316980;C=CC(=C)CCC(C)CC;KQLOEPJOXKQUDB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316981;MM316981;CC1OC1C1C(C)C1(C)F;MBVZBBMNSZSGHO-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316982;MM316982;C=C(C=O)CCC(C)CC;SPMNUNLCGQOJGR-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316983;MM316983;CN1CC1C1C(N)C1(C)C;SDQPCWXWDWOFPG-UHFFFAOYSA-N;140.23;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316984;MM316984;C=C(C#N)CCC(C)CC;LHEMSCJIFCKTHS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316985;MM316985;CC1C(C2CN2C)C1(C)N;UPDCSCJVEYNBQI-UHFFFAOYSA-N;140.23;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316986;MM316986;C=CC(=C)CCC(C)CN;FWHXJMGQTFORCC-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316987;MM316987;CN1CC1C1C(N)C1(C)N;DNQHWUHCEAFBSR-UHFFFAOYSA-N;141.22;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316988;MM316988;CCC(C#CCOC)CO;FWGPRSZKVQWWQF-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316989;MM316989;CN1CC1C1C(O)C1(C)N;RNHPYRPDYMHGOU-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316990;MM316990;C=CC(C#CCCF)CO;QUKITDKTVAHWFF-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316991;MM316991;CN1CC1C1C(N)C1(C)O;CIRDOODDUMWCRF-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316992;MM316992;C=C(C=O)CCC(C)CF;SUTWVKSQGHAWGC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316993;MM316993;CC1CN1C1C(N)C1(C)C;JJMQAVHRIRFMTH-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316994;MM316994;C=C(C#N)CCC(C)CF;ZRGZNYKMYVVQDU-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316995;MM316995;C=CCC(C)CNC=O;XOXVEWGBTUTTPW-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316996;MM316996;C=CC(=O)CCC(C)CC;BHPQBKWVLOTRIA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316997;MM316997;CC1CN1C1C(C)C1(C)N;GNRMPADSWQOBFM-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316998;MM316998;CCC(C)CCC(=O)C=O;GWSKPXJZIQAGBO-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM316999;MM316999;CC1CN1C1C(N)C1(C)N;XLDOCXAELJOWQS-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317000;MM317000;CCC(C)CCC(=O)C#N;AZOXWDMJNYWZSB-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317001;MM317001;CC1CN1C1C(N)C1(C)O;SRQXEAWGSQJEEW-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317002;MM317002;C=CC(C#N)C1CC1CO;SHJHDIQHJWVIHY-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317003;MM317003;CC1CN1C1C(C)C1(C)F;MDXSKHVSKBERCU-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317004;MM317004;C=CC(=O)CCC(C)CF;JWDMVSZPUXNNCA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317005;MM317005;CC1CN1C1C(C)C1(F)F;LUHFJEMKRREXHC-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317006;MM317006;CC(CF)CCC(=O)C=O;PFGPPHWUUBNWFE-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317007;MM317007;CN1C(C2CC2N)C1(C)C;VZNFAJXXLDWLLW-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317008;MM317008;CC(CF)CCC(=O)C#N;PEAJDGBOBDGRPH-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317009;MM317009;CC1N(C2CC2N)C1(C)C;FASSLHAQZFKFPI-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317010;MM317010;C=CC(=C)CCC(N)CC;DEQUIBPSRDAXGD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317011;MM317011;CC1C(C)C1C1(C)CC1C;RUXIXQCHWCGWLM-UHFFFAOYSA-N;138.25;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317013;MM317013;CC1C(C)C1C1(C)CC1N;ASTNCEAUMDYOKF-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317012;MM317012;C=CCC#CC1C(C)C1O;IMXTWEBPBBLRRH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317014;MM317014;CC1C(C)C1C1(C)CC1F;KVOOYWYLFNLRCZ-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317015;MM317015;CCCC#CCCCCO;UMDFLLQJQVVNHD-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317016;MM317016;CC1C(N)C1C1(C)CC1C;APDGDFNXSFHLOE-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317017;MM317017;OCCCCC#CCCF;ZHPHCVSYZMOQMN-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317018;MM317018;CC1C(N)C1C1(C)CC1N;IFUGAHHQYQCNIU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317019;MM317019;C=CC(=C)CCC(O)CN;RQKDCWLSYNNVAY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317020;MM317020;CC1C(N)C1C1(C)CC1O;TXZFQHNWEVBNQT-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317021;MM317021;C=CC(=C)CCC(O)CO;QCPHZYLNXGZBMB-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317022;MM317022;CC1C(O)C1C1(C)CC1N;GTAGXWHRBSHLCE-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317023;MM317023;C=CC(=C)CCC(O)CF;YXYKOYUJJHRLRI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317024;MM317024;CC1C(O)C1C1(C)CC1O;WEBXYBSVCPBBRQ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317025;MM317025;C=C(C=O)CCC(O)CF;JLPQMRXSVNTGRV-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317026;MM317026;CC1CC1(C)C1C(N)C1N;UCHSQARIKYNGJJ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317027;MM317027;C=C(C#N)CCC(O)CF;YBNCGZVKNLIOKK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317028;MM317028;C=CC(=O)CCC(O)CC;KASOCIMKFXJNQF-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317029;MM317029;CC1(C2C(O)C2O)CC1N;JOSWOAQAALPXJO-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317030;MM317030;CC1(C2C(O)C2O)CC1O;UPRJIMHHFYTJOG-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317031;MM317031;O=CC(=O)CCC(O)CO;GBABYNRTROINDT-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317032;MM317032;N#CC(=O)CCC(O)CF;JFFZZXHJIDNOHN-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317033;MM317033;CC1C(C)C1C1(N)CC1C;SYFHWERFQARYTR-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317034;MM317034;C=CC(=C)CCC(F)CC;FAYRFKGXQHTNFN-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317035;MM317035;CC1C(N)C1C1(N)CC1N;OUIPCYFJCIXNNP-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317036;MM317036;C=C(C=O)CCC(F)CC;ZEDQCCWURZCZAS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317037;MM317037;CC1C(N)C1C1(N)CC1O;YFXQHDVZBSVHIL-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317038;MM317038;C=C(C#N)CCC(F)CC;CELLBJJVMJETPS-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317039;MM317039;NC1C(N)C1C1(N)CC1N;WDRPANVIAJKLGX-UHFFFAOYSA-N;142.21;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317040;MM317040;NC1C(F)C1C1(N)CC1N;PCODNRJBLJTENQ-UHFFFAOYSA-N;145.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317041;MM317041;C=CC(=C)CCC(F)CN;PPQKFFCKOHUHPX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317042;MM317042;C=CC(=C)CCC(F)CO;YJDNSLCZQJTRSE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317043;MM317043;CC1C(N)C1C1(O)CC1C;HDUMWEKSSOKFHO-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317044;MM317044;C=C(C#N)CCC(F)CO;FEHUXCDGSSDFDY-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317045;MM317045;CC1C(N)C1C1(O)CC1N;KBUQNQDXYQEBTD-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317046;MM317046;C=CC(=C)CCC(F)CF;NLXRKSDGYBMBRO-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317047;MM317047;NC1C(N)C1C1(O)CC1N;RGBDDCASQFYGDX-UHFFFAOYSA-N;143.19;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317048;MM317048;C=C(C=O)CCC(F)CF;UBCABLKRWWZOGV-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317049;MM317049;CC1CC1(O)C1C(N)C1O;SJMQINBPOYBGBJ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317050;MM317050;C=C(C#N)CCC(F)CF;GVWPSJBNGLOVSE-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317051;MM317051;NC1C(O)C1C1(O)CC1N;WZPHZCOOZNLJGZ-UHFFFAOYSA-N;144.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317052;MM317052;C=CC(=O)CCC(F)CC;RUVNCWCSUZPBNZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317053;MM317053;NC1C(N)C1C1(F)CC1N;WMUDZFCTWBUEDS-UHFFFAOYSA-N;145.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317054;MM317054;CCC(F)CCC(=O)C#N;COYPJIVATPWVOS-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317055;MM317055;NC1C(O)C1C1(F)CC1N;FVKVBAPYZXJBDM-UHFFFAOYSA-N;146.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317056;MM317056;C=CC(=O)CCC(F)CF;QIIPNWWWBBZPAA-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317057;MM317057;CC1C(N)C1C1(C)NC1C;VUSNOKWIMPRWRN-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317058;MM317058;C=CC(=C)CCC(C)NC;YBLOSERLTLKFPT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317059;MM317059;CC1C(C)C1C1(C)OC1C;OUWRMADGTWNONK-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317060;MM317060;C=C(C=O)CCC(C)NC;AHSGDXCEXFNUDX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317061;MM317061;CC1C(N)C1C1(C)OC1C;PCTWOYQWEMOCEW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317062;MM317062;C=C(C#N)CCC(C)NC;WKNCLZDAIVUTEG-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317063;MM317063;CC1OC1(C)C1C(N)C1N;YEYBFWHOIZDPQK-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317064;MM317064;C=CC(=O)CCC(C)NC;POLXGQLZULWZCV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317065;MM317065;CC1OC1(C)C1C(O)C1O;DBEZOMIJJCNRKH-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317066;MM317066;C=CC(=C)CCC(C)OC;NIJXWKSRMHJSAP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317067;MM317067;CN1CC1(C)C1C(N)C1O;ICUIFQMDCGYGKY-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317068;MM317068;CC1C(C2(C)CC2N)N1C;DNEIWHSYMSWEBZ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317069;MM317069;C=C(C=O)CCC(C)OC;UTXZGSSDNZYLLF-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317070;MM317070;CC1C(C2(N)CC2C)N1C;KDJVDIZBFGHXCN-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317071;MM317071;C=C(C#N)CCC(C)OC;ADKFCZCMBLTHNL-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317072;MM317072;C=CC(=O)CCC(C)OC;YXNOUBDNLVZOBB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317073;MM317073;CC1C(C2(N)CC2N)N1C;BELWJWJESPORQP-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317074;MM317074;COC(C)CCC(=O)C=O;IYJBXKSGEBSHTI-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317075;MM317075;CC1C(C2(N)CC2O)N1C;PTPFHGLLTSPEOL-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317076;MM317076;CCC(C)CNC(=N)C#N;DIZOCBFTSIZEQO-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317077;MM317077;C=C(CC)CCNC=O;CBFLQMBYNSOBRM-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317078;MM317078;C=CC(=N)NCC(C)CN;KKQQWNXRNSZSFE-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317079;MM317079;CC1C(C2(C)OC2C)N1C;XBBYENMPTFWKHL-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317080;MM317080;C=CCC#CCCCCO;ZGEZUJLSEGQJMR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317081;MM317081;CC1C(C)N1C1(C)CC1N;PPNOKPIRXVTEIX-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317082;MM317082;OCCCCC#CC1CC1;LYXKWYNNKIUFKK-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317083;MM317083;CC1C(C)N1C1(C)CC1F;HBEBYLIUUQAGET-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317084;MM317084;C=CC(=N)NCC(C)CF;LKCHIKIBCDKQSP-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317085;MM317085;CC1CC1CC1(C)CC1C;SCLXWIBUSAFEQZ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317086;MM317086;CCC(C)CNC(=O)C=O;TXQITWVUGRIAQK-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317087;MM317087;CC1CC1(C)CC1CC1N;NNHNMQUWFGJDPA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317088;MM317088;CCC(C)CNC(=O)C#N;HIIRUOGRPNKHJA-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317089;MM317089;CC=C(C)CCNC=O;MDJDAJVRTBLIHB-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317090;MM317090;CC(CO)CNC(=O)C=O;WYNLPWXYQYKDAX-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317091;MM317091;CC1CC1(C)CC1CC1F;VWXYZOJUBKSTJX-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317092;MM317092;C=CC(=N)NCC(N)CN;NRXMNCHBLZFUKM-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317093;MM317093;CC1CC1CC1(C)CC1N;CDMSWMZKYKTNFK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317094;MM317094;C=CC(=N)NCC(N)CO;GLUFOLCZORADAJ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317095;MM317095;C=CC1=NOC(C=O)C1;VWCLLEXRBJDXJO-UHFFFAOYSA-N;125.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317096;MM317096;C=CC(=N)NCC(N)CF;RZUCBUHSRDYGEB-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317097;MM317097;CC1(CC2CC2N)CC1O;VUOYKPSGARCYEP-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317098;MM317098;C=CC(=O)NCC(N)CC;UFDHUZVNXFKGDP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317099;MM317099;NCC(=O)N=CN1CC1;UAQDDLHVSKEMKD-UHFFFAOYSA-N;127.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317100;MM317100;OCC1=CCC(=CF)C=C1;JONXSSFSUOMQFJ-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317101;MM317101;CC1CC1CC1(C)CC1F;GFUHVCXVJSTTII-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317102;MM317102;C=CC(=N)NCC(O)CO;BODBYELWPZTAMA-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317103;MM317103;C=CC(C#CC1CC1)CO;PZYVJLVSIRDCRR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317104;MM317104;CC1CC1CC1(N)CC1C;BLJSQLGEKDWILS-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317105;MM317105;CC=CC(C)C(N)=O;CKDDMXSSWVFPGO-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317106;MM317106;CC1CC1(N)CC1CC1N;IZNCIFQTGLWQRD-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317107;MM317107;C=CC(C)CCCO;HMLZYBJGMIEFLP-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317108;MM317108;CC1CC1(N)CC1CC1F;NUQSDONAELCFNM-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317109;MM317109;CCC(O)CNC(=O)C#N;RIJSNHFNYAERCY-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317110;MM317110;CC1CC1CC1(N)CC1N;NUNFKJKTHBIYAN-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317111;MM317111;N#CC(=O)NCC(O)CO;RWNYQAGAUXYDGK-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317112;MM317112;NC1CC1CC1(N)CC1N;AMOLXLNPBYQRMY-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317113;MM317113;O=CC(=O)NCC(O)CF;PPCIJGIKOVPEOI-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317114;MM317114;NC1CC1(N)CC1CC1O;ULLHOFWCFWIEGG-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317115;MM317115;C=CC(=N)NCC(F)CN;NJPBBYCVMRDPQH-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317116;MM317116;NC1CC1(N)CC1CC1F;JZPSCRIMTKFBGH-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317117;MM317117;O=CCC1C=NNC1;HSAUFPYAQVBYSR-UHFFFAOYSA-N;112.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317118;MM317118;NC1CC1CC1(N)CC1O;IWYSDAWMZXNGOB-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317119;MM317119;C=CC(=O)NCC(F)CN;DBTRXCMGZJVSAZ-UHFFFAOYSA-N;146.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317120;MM317120;CC1CC1CC1(N)CC1F;GDHRTCYJLCLGNK-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317121;MM317121;CNC(C)CNC(=O)C=O;UEZJWTWBFRWCQU-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317122;MM317122;CCC=CCCNC=O;ITGVWTSXMGVOAW-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317123;MM317123;CNC(C)CNC(=O)C#N;OEQCBZRZNRADMC-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317124;MM317124;CC1CC1(O)CC1CC1N;OLOSZQJQXNGNNC-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317125;MM317125;COC(C)CNC(=N)C#N;GQYQSFXHWWZHKX-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317126;MM317126;CC1CC1(O)CC1CC1O;PUJSMWMGSPVSHG-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317127;MM317127;C=CC(=C)OCC(C)CC;ZWYWSOMBGMDOGG-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317128;MM317128;CC1CC1(O)CC1CC1F;RSXYEGPLAXEXCO-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317129;MM317129;C=C(C#N)OCC(C)CO;YELDCXBCKGVGMX-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317130;MM317130;CC1CC1CC1(O)CC1N;ACWLSKYABDDDEH-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317131;MM317131;C=CC(=O)OCC(C)CC;NCTBYWFEJFTVEL-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317132;MM317132;NC1CC1CC1(O)CC1N;NMOBHTXMRXUPHV-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317133;MM317133;CC(CO)COC(=O)C=O;VZHANRRWSCIXBG-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317134;MM317134;CC1CC1CC1(O)CC1O;UVRODCIFMAARMV-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317135;MM317135;C=CC(=O)OCC(C)CF;VKHDYIQTQYGDSY-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317136;MM317136;OC1CC1(O)CC1CC1F;CNDPVBSSTXAXRB-UHFFFAOYSA-N;146.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317137;MM317137;C=CC(=O)OCC(N)CC;XBFYOGLPJXLVMZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317138;MM317138;CC1CC1CC1(F)CC1C;VRVJPPSCFRPQPP-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317139;MM317139;C=CC(=C)OCC(O)CC;YVMNKBQODJFOQW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317140;MM317140;CC1CC1(F)CC1CC1N;GKAOHEXNFISIRK-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317141;MM317141;C=C(C#N)OCC(O)CC;NENJHPGJXMVTFR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317142;MM317142;CC1CC1CC1(F)CC1N;IJYJZJHGXWSSQQ-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317143;MM317143;C=C(C=O)OCC(O)CO;DHNLWFILZPKNIE-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317144;MM317144;NC1CC1CC1(F)CC1O;XYSKOHMBSUCKBV-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317145;MM317145;C=C(C#N)OCC(O)CO;SLSRVMYJLCFNKK-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317146;MM317146;OC1CC1CC1(F)CC1O;CJQYTLXRINBGMK-UHFFFAOYSA-N;146.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317147;MM317147;C=CC(=O)OCC(O)CO;OWPUOLBODXJOKH-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317148;MM317148;CC1CC1NC1(C)CC1C;MGIJUJHERMTHFL-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317149;MM317149;O=CC(=O)OCC(O)CO;OZWURNPAHHFJBO-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317150;MM317150;CC1CC1NC1(C)CC1N;SMJZMJJUDHFBDO-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317151;MM317151;O=CC(=O)OCC(O)CF;VVFGCSFWSWWMFC-UHFFFAOYSA-N;150.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317152;MM317152;CC1CC1OC1(C)CC1C;JSQFWENESJZLMQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317153;MM317153;C=CC(=C)OCC(F)CC;NLDSOSKRQFOXRF-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317154;MM317154;CC1CC1(C)OC1CC1O;ZETHCQKYEHDJTQ-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317155;MM317155;C=C(C=O)OCC(F)CO;WKDNMFIPZGOWSQ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317156;MM317156;CC1CC1OC1(C)CC1N;DHQFVOVPYXJVCI-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317157;MM317157;C=C(C#N)OCC(F)CF;KARMLUXVOGXBMO-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317158;MM317158;CC1CC1OC1(C)CC1O;LMBJRSLJRLPTDS-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317159;MM317159;C=CC(=O)OCC(F)CO;PSNZTVKQWVZZCU-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317160;MM317160;CC1NC1CC1(C)CC1N;LCPAJELYHOIFNU-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317161;MM317161;N#CC(=O)OCC(F)CO;FURXKJAJEUREPK-UHFFFAOYSA-N;147.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317162;MM317162;CC1NC1CC1(N)CC1C;NVZBWRRHBYUFJP-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317163;MM317163;C=CC(=O)OCC(C)NC;GDDMZUCYXYKPNC-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317164;MM317164;CC1NC1CC1(N)CC1N;XFBQIZNTOXAMEX-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317165;MM317165;CNC(C)COC(=O)C=O;XQEYEOURLXQKSE-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317166;MM317166;CC1NC1CC1(N)CC1O;PRRBZQLCFWPOJZ-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317167;MM317167;CNC(C)COC(=O)C#N;KKPNHUZILVYJAW-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317168;MM317168;CC1NC1CC1(F)CC1N;HUOHQHKHMBVIQI-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317169;MM317169;C=CC(=C)OCC(C)OC;WJEFWEKGCCOUQE-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317170;MM317170;CC1OC1CC1(C)CC1C;KRHCYKATNYBGOR-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317171;MM317171;C=C(C=O)OCC(C)OC;RGZRNVSRKCDQCN-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317172;MM317172;CC1OC1CC1(C)CC1N;IFRPBKJMPVMVIB-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317173;MM317173;C=C(C#N)OCC(C)OC;FGHTUWHBZAAKNQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317174;MM317174;CC1OC1CC1(C)CC1O;ZLDKYVWYVQGEFW-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317175;MM317175;C=CC(=C)CNC(C)CC;WKSUGBDTLYXREM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317176;MM317176;CC1OC1CC1(C)CC1F;WRQGHBHIZNNLFQ-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317177;MM317177;C=C(C=O)CNC(C)CC;VVAHXCKKARTENI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317178;MM317178;CC1OC1CC1(N)CC1C;QNCOLCVYAUOSDR-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317179;MM317179;C=C(C#N)CNC(C)CF;AZSQUYMYPPVWBH-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317180;MM317180;CC1OC1CC1(N)CC1N;QKBPENGFUIVPFS-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317181;MM317181;C=CC(=O)CNC(C)CC;XRHSLVSIRHVSSR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317182;MM317182;CC1OC1CC1(N)CC1O;RJIJPGLEWXUXIV-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317183;MM317183;CC=CC(C)(C)C(N)=O;STCQKDIKPYGUTO-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317184;MM317184;CC(C)NC=CC(N)=O;WYWMVMWBVQNMEI-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317185;MM317185;CC1OC1CC1(O)CC1C;PNPJBDSZDCLEDY-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317186;MM317186;CC1OC1CC1(O)CC1N;UROGIPJOHULMGS-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317187;MM317187;C=CC(=N)NNC(C)CO;SIAXHPJISQXDIB-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317188;MM317188;C=C(C)C(=C)CC(N)=O;ZFJQSCWBECFJBL-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317189;MM317189;CC1OC1CC1(O)CC1O;NUYPTZPXDRHCIA-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317190;MM317190;C=C(C)C=C(C)C(N)=O;ZZQHWRFHHPLCRD-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317191;MM317191;CC1OC1CC1(F)CC1C;UVOHXJBBZXVWIW-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317192;MM317192;C=CC(=O)NNC(C)CN;IFNKHCGZKQSSHN-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317193;MM317193;CC1OC1CC1(F)CC1N;CVENKIQPYFINBR-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317194;MM317194;CCN(C)C=CC(N)=O;JKSJXMJVRNSLKL-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317195;MM317195;CC1OC1CC1(F)CC1O;FDNJPLZSPSSVCS-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317196;MM317196;C=CC(=CC)CC(N)=O;UKAVKZVBJAJNOA-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317197;MM317197;CC1NC1(C)CC1CC1N;WIPPMFWQGXNQKX-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317198;MM317198;C=CC(=C)COC(C)CC;ZVGXHXKJZNPKNO-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317199;MM317199;CC1CC1CC1(C)OC1C;GGZFYZOZMUOJRZ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317200;MM317200;C=CC(=C)COC(C)CN;DZAXOALMFALFKQ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317201;MM317201;CC1OC1(C)CC1CC1N;QDPDYBGXJXEGGS-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317202;MM317202;C=C(C#N)COC(C)CO;VDLDHSRYQCDNAT-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317203;MM317203;CC1OC1(C)CC1CC1O;ATVZSWTUZWDOJK-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317204;MM317204;C=CC(=O)COC(C)CC;JZFYPVOOGWYJHJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317205;MM317205;CC1OC1CC1(C)OC1C;BOWMIMSGIGLEGB-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317206;MM317206;CC(CO)OCC(=O)C#N;YRHSLIHSAOQRPR-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317207;MM317207;CC1CC1(N)CC1CN1C;BNDOYYXLCVDVFC-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317208;MM317208;C=CC(=C)COC(C)OC;DRRXTAIRQPOKRI-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317209;MM317209;CN1CC1CC1(N)CC1N;FSNUVPMLDIIGRC-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317210;MM317210;CCC(C)ON=C(N)C=O;YQIITQLUSLHVPG-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317211;MM317211;CN1CC1CC1(N)CC1O;YDDQVEXNRMJPKX-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317212;MM317212;COCC#CCC(C)O;VCTDJVIFKIGJAK-UHFFFAOYSA-N;128.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317213;MM317213;CCC1C(CC=O)N1C;IVOVJUKECMJWLX-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317214;MM317214;CC=CC#CCC(C)O;ANLANRYPQYYDLS-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317215;MM317215;CN1CC1CC1(O)CC1N;IWZVHHSYXUIUPO-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317216;MM317216;CCn1ncc(O)n1;RSETVYMUTRWFIK-UHFFFAOYSA-N;113.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317217;MM317217;OCC1=CC2C(O)C2C1;KJJPEKZMJUDVHU-UHFFFAOYSA-N;126.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317218;MM317218;C#CCn1ncc(O)n1;FSJIJZYSFRMJJH-UHFFFAOYSA-N;123.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317219;MM317219;CC1CC1(F)CC1CN1C;NJZHODUCDBXHJD-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317220;MM317220;COC(C)ON=C(N)C=O;VSLQVKHSZNGFAI-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317221;MM317221;CN1CC1CC1(F)CC1N;GDAFYTNRWSRBHN-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317222;MM317222;C=CC(=O)NOC(C)OC;RYJYVYQOFFOQRN-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317223;MM317223;CC(C)(O)CCCC(N)=O;XHPRDYMQFAQQFV-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317224;MM317224;C=CC(=C)CCN(C)CC;XTAKMZLFYZPLMP-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317225;MM317225;CC1CN1CC1(N)CC1N;FGDGDECIQLAMRJ-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317226;MM317226;C=C(C=O)CCN(C)CC;TYJKXYOZGWMXKA-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317227;MM317227;CC1CN1CC1(N)CC1O;OAVJOLFRHDOWHN-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317228;MM317228;C=C(C#N)CCN(C)CC;DVLLEPSSIJKNCM-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317229;MM317229;CC1CN1CC1(F)CC1C;CBUPJZVRXGWCQH-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317230;MM317230;C#CC(=C)CCC(C)CC;PPAMOTDLKDSOBD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317231;MM317231;CC(O)CC(C)CC(N)=O;AAPRPFCOHJXUPN-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317232;MM317232;C#CC(=C)CCC(C)CN;MNVJPABSLWNIAW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317233;MM317233;C=C(C)C1(C)CC2CC2C1;LJYJXDQKRLSUQE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317234;MM317234;C#CC(=C)CCC(C)CF;IUDTWRBREYURJF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317235;MM317235;C=C(C)C1(N)CC2CC2C1;UXEASYLRUVZXRU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317236;MM317236;C#CC(=O)CCC(C)CC;RXCSYFYNCWHILF-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317237;MM317237;C=C(C)C1(O)CC2OC2C1;UQLBNXHMLUTYCM-UHFFFAOYSA-N;140.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317238;MM317238;CC=CC(C)CCCO;RWJAWMVNONQOGH-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317239;MM317239;CC1CC(N)C(C)CC1N;XLDYSIKFNFIIIQ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317240;MM317240;C#CC(=C)CCC(N)CC;FHGWKRCPCNOEPD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317241;MM317241;CC1CC(C)N(C)CC1C;SYQQRIURZDDWBI-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317242;MM317242;C#CC(=C)CCC(N)CO;UVNICMIPXSPMJX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317243;MM317243;C=C1CC(C)C(C)CC1=C;BUQLWQUCTZAHNJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317244;MM317244;C#CC(=C)CCC(N)CF;HUQCCXFVXAPJDT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317245;MM317245;C=C1CC(C)C(N)CC1=C;NAHJFDPCBFMGGR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317246;MM317246;CC(C=NN)CCCO;BOBLELMOAJCIJQ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317247;MM317247;CC(C)(CO)CCC(N)=O;VCJOBRZLYWOLSB-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317248;MM317248;C#CC(=C)CCC(O)CO;IMWJLMIOLVKSPG-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317249;MM317249;C=C1CC(C)C(O)CC1=O;YHIOOIUIECZPAS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317250;MM317250;C#CC(=C)CCC(O)CF;SARDAEVXMTZQQU-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317251;MM317251;C=C1CC(C)C(F)CC1=C;DUHRQYJJSVDQRS-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317252;MM317252;C#CC(=O)CCC(O)CC;UUUVOQIBNCAAHO-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317253;MM317253;C=C1CC(F)C(C)CC1=O;ODEHTSVTSBMURG-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317254;MM317254;C#CC(=O)CCC(O)CO;FCYXRONLGNJIAN-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317255;MM317255;C=C1CC(N)C(N)CC1=C;LHFPCRXCDMBBOB-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317256;MM317256;C#CC(=O)CCC(O)CF;ALPMFUFQYWKTSR-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317257;MM317257;C=C1CC(O)C(O)CC1=C;DRMSACVAPWNGCZ-UHFFFAOYSA-N;140.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317258;MM317258;C#CC(=C)CCC(F)CC;RZWXMTBGUNKRQL-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317259;MM317259;C=C1CC(C)N(C)CC1=O;HRJPJWGGTNPQLU-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317260;MM317260;C#CC(=C)CCC(F)CN;NDCVQXQAPUSRQG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317261;MM317261;C=C1CC(=C)C(N)CC1C;SQUKQIKJEUGODG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317262;MM317262;C#CC(=C)CCC(F)CO;UBBAUFGWVYCIFQ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317263;MM317263;C=C1CC(=C)C(F)CC1C;ZJDVYANCWWFIAC-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317264;MM317264;C#CC(=O)CCC(F)CC;YHXLKKMMNAGDDU-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317265;MM317265;C=C1CC(=O)C(C)CC1O;VDFCYEUNXKGQCC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317266;MM317266;C#CC(=C)CCC(C)NC;PECHHPXUQMTGNI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317267;MM317267;C=C1CC(=O)C(C)CC1F;QTUIWYGVGQEULS-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317268;MM317268;C#CC(=C)CCC(C)OC;ZPVHLUQZRZZTNV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317269;MM317269;C=C1CN(N)C(=N)CC1C;GMXPGJRXZJBBOH-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317270;MM317270;C=C1CN(C)C(=O)CC1C;MNUVQBFQFVHSNW-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317271;MM317271;C#CC(=O)CCC(C)OC;CBEMJUNOCZPQMQ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317272;MM317272;C=C1CN(C)C(=N)CC1N;OUEYGEYWCURKJT-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317273;MM317273;C#CC(=N)NCC(C)CC;PAOQJUYRSLGUOU-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317274;MM317274;C=C1CN(N)C(=N)CC1O;RSTHTVADIUXWOF-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317275;MM317275;C#CC(=N)NCC(C)CN;ULSMYRIXDRUDQV-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317276;MM317276;C=C1CN(C)C(=O)CC1O;RATNITOYUJSBKW-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317277;MM317277;C#CC(=N)NCC(C)CO;JLMWUQNQIHCLTL-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317278;MM317278;CN1CC(=N)N(C)CC1=N;CHXVKMZWFCNLPB-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317279;MM317279;C#CC(=O)NCC(C)CN;SPVPCEOEKGJFOR-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317280;MM317280;CN1CC(=N)N(N)CC1=N;IDOMRNUFGPGGAM-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317281;MM317281;C#CC(=O)NCC(C)CO;OJUOGQMTEQUAMO-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317282;MM317282;CN1CC(=N)N(O)CC1=N;KQFOKARHCPLKPN-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317283;MM317283;C#CC(=N)NCC(N)CC;ZRFVNSGNPHZVRH-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317284;MM317284;CN1CC(=O)N(C)CC1=N;YOHIPBBYVBOOSI-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317285;MM317285;C#CC(=N)NCC(N)CN;RTRGVAGCCNDPEX-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317286;MM317286;CN1CC(=O)N(C)CC1=O;PKDGRAULLDDTRN-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317287;MM317287;C#CC(=N)NCC(N)CO;YACHJMIXKMFKTN-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317288;MM317288;CC(O)CCCCC(N)=O;JNFXFNOCXPWGLL-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317289;MM317289;C#CC(=O)NCC(N)CC;OELWQDVAVFDTFG-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317290;MM317290;C=C1CC(=C)C(C)CC1=C;NPZBBFYDOBYZKY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317291;MM317291;C#CC(=O)NCC(N)CN;LDKDIEFZROENBR-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317292;MM317292;C=C1CC(=O)C(C)CC1=C;GVEZRUBNFCKLOQ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317293;MM317293;C#CC(=O)NCC(N)CO;MITRKZSVXBNQHH-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317294;MM317294;C=C1CC(=O)C(C)CC1=O;KMZHOGQUHASFSC-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317295;MM317295;C#CC(=N)NCC(O)CF;MRURKTXTMGLSAF-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317296;MM317296;C=C1CC(=C)C(N)CC1=C;SAKJAJJOSZBUOB-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317297;MM317297;C#CC(=O)NCC(O)CC;JSXKEXSAOXADBM-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317298;MM317298;CCOCC(C)CC(N)=O;QMOQZJDBGFFDOT-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317299;MM317299;C#CC(=O)NCC(O)CN;JKPSJCRTVGVFKV-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317300;MM317300;C=C1CC(=O)C(O)CC1=O;IEVBRBBXLGJKCT-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317301;MM317301;C#CC(=O)NCC(O)CO;MQWBMPMGBJPVPP-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317302;MM317302;C=C1CC(=C)C(F)CC1=C;MAEVDIRLVSTGHD-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317303;MM317303;C#CC(=O)NCC(O)CF;QDMXTNZJEIQUGA-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317304;MM317304;C=C1CC(=O)C(=O)CC1F;XQLGMHPTNKJNGL-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317305;MM317305;C#CC(=O)NCC(F)CN;BEUIIDBSMRECBT-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317306;MM317306;C=C1CC(=N)N(C)CC1=C;VTZKXNCQTUWIIJ-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317307;MM317307;C#CC(=O)NCC(F)CO;SORMJAXUIPJMJR-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317308;MM317308;C=C1CN(C)C(=N)CC1=O;NWJFCJIDCGIYHP-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317309;MM317309;C#CC(=C)OCC(C)CN;UXCATGLARSMKQO-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317310;MM317310;C#CC(=C)OCC(C)CO;IKGSUMMENNYDPO-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317311;MM317311;C=C1CC(=N)N(C)CC1=O;OXHWHGRPIDELTO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317312;MM317312;C=C1CC(=O)N(C)CC1=C;NCVJVPYAAJAFBB-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317313;MM317313;C#CC(=O)OCC(C)CC;RAISSWWYUQEXAJ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317314;MM317314;C#CC(=C)OCC(N)CC;DURVGKAIRMPWLB-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317315;MM317315;C=C1CN(C)C(=O)CC1=O;GVZGDEAXWSUJOH-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317316;MM317316;C=C1CC(=O)N(C)CC1=O;JLZRKPGIVOJTJI-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317317;MM317317;C#CC(=C)OCC(N)CN;ZZAJILQMFNLJCG-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317318;MM317318;Cn1cc(O)c(O)cc1=O;XWEZLXBNXKDLCR-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317319;MM317319;C#CC(=O)OCC(N)CC;FBYOPMYHHVQRIB-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317320;MM317320;C=C1CC(=N)N(N)CC1=C;NVJMXFGTNJUPBK-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317321;MM317321;C#CC(=O)OCC(N)CN;DNTZMXVZJFFHSH-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317322;MM317322;Cn1cc(O)c(N)nc1=N;KDBTTYZCOPLIGX-UHFFFAOYSA-N;140.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317323;MM317323;C#CC(=O)OCC(N)CO;ZAKZEHWAMLXFJL-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317324;MM317324;C#CC(=C)OCC(O)CO;ZGPVOYBLZWJYCI-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317325;MM317325;Cn1cc(O)c(=O)[nH]c1=N;NDPKHPXGFONDEY-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317326;MM317326;C#CC(=O)OCC(O)CN;JQDTVSZLMHKAKQ-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317327;MM317327;Cn1cc(O)c(N)nc1=O;KHJMGTNWGFHSJU-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317328;MM317328;C#CC(=O)OCC(O)CO;BBRHZBCHVFRJMW-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317329;MM317329;N=c1nc(N)c(O)cn1O;UOZRYEFKLJOKDD-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317330;MM317330;C#CC(=O)OCC(O)CF;ZDIMRNUDLLPYAF-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317331;MM317331;CC(C=NO)OCC(=O)O;YVZISTGNARPALN-UHFFFAOYSA-N;147.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317332;MM317332;C#CC(=C)OCC(F)CC;WDFKQDZHZCNFKG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317333;MM317333;N=CN(CC(=O)O)C(N)=O;DMTMYCCWESDTTE-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317334;MM317334;C#CC(=O)OCC(F)CN;LBPUCWLPADWUGE-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317335;MM317335;Cn1nc(N)c(O)cc1=O;MECFPFJAHKIPDG-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317336;MM317336;C#CC(=O)OCC(F)CO;DUNCGBYFCFCJBA-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317337;MM317337;Cn1nc(N)c(N)nc1=N;XTZQMOJVHHYODV-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317338;MM317338;C#CC(=C)OCC(C)NC;PTBDSRPHGXAYKB-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317339;MM317339;CCC(C)(C)C(C)NC=O;UQTYKXGKTCXBAN-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317340;MM317340;C#CC(=C)OCC(C)OC;HFDFRXCTUFJWHS-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317341;MM317341;Cn1[nH]c(C#N)cc1=NO;XIVFUHIWTWNLAJ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317342;MM317342;C#CC(=O)OCC(C)OC;WKQQFDIGJOWKFK-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317343;MM317343;CC(CCO)CCC(N)=O;HTUJNYCWOJDZJX-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317344;MM317344;C#CC(=C)CNC(C)CC;KHKWQLAQBRYEPH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317345;MM317345;C#CC(=C)CNC(C)CN;GWNUHJNZQKDIGX-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317346;MM317346;NN(C=NC=O)CC(=O)O;PLBZHHQNDUIMLD-UHFFFAOYSA-N;145.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317347;MM317347;CC(C)CCC(=O)C(=O)O;CIBNXHHWVVKRDY-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317348;MM317348;C#CC(=N)NNC(C)CN;WZMHHIQKMKGABY-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317349;MM317349;C#CC(=N)NNC(C)CO;CJEYZTQSTJLEHJ-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317350;MM317350;CCCCCC(=O)C(=O)O;IDDYNNYMUPHFMO-UHFFFAOYSA-N;144.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317351;MM317351;C#CC(=N)NNC(C)CF;BDQBHLQYCSEVSF-UHFFFAOYSA-N;143.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317352;MM317352;CCC(=O)OCC(=O)O;HJYGWLFMHCJRJG-UHFFFAOYSA-N;132.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317353;MM317353;C#CC=CC(O)CC#C;PMICQLNNTXMDQB-UHFFFAOYSA-N;120.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317354;MM317354;CC(F)=COCC(=O)O;NKJOKCVAZGUDNA-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317355;MM317355;C#CC(=C)COC(C)CC;KJHFIKSAUOPTOS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317356;MM317356;COCOCOCC(=O)O;PMTGZRMMBGPLII-UHFFFAOYSA-N;150.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317357;MM317357;CC(O)C(C)CCC(N)=O;FMGWEFLIFIBTKD-UHFFFAOYSA-N;145.2;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317358;MM317358;C#CC(=C)COC(C)CO;MYAPYINGZJXAQL-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317359;MM317359;Cn1nc(N)c(=O)oc1=O;LNGXXJHMFLIEEC-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317360;MM317360;C#CC(=C)COC(C)CF;QGPARLGKUZBDTC-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317361;MM317361;O=Cc1noc(O)n1;ZODXZKVKAJVNEM-UHFFFAOYSA-N;114.06;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317362;MM317362;C#CC(=O)COC(C)CO;VFIQTMIXLSVKNY-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317363;MM317363;CCC(O)CCCC(N)=O;KRXMKQNPNVYHGI-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317364;MM317364;C#CC(=C)COC(C)OC;GIROXRLQDXOYJA-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317365;MM317365;CON=C(C)CC(=O)OC;PQYHCBWMKLAMRP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317366;MM317366;C#CC(=N)NOC(C)CN;HHSAFDYLWZTMNP-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317367;MM317367;COC(CO)OCC(=O)O;RBUINAFVAKAROO-UHFFFAOYSA-N;150.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317368;MM317368;C#CC(=C)CCN(C)CC;YVAOGRFJAYTYJX-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317369;MM317369;CC(CO)C(C)CC(N)=O;IFQKEDJSWQPHPA-UHFFFAOYSA-N;145.2;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317370;MM317370;C#CC(=O)CCN(C)CC;CIUQSYFBVSXIKR-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317371;MM317371;C#CC=NN=CCC(=O)O;TYUIPIQCKWRYHJ-UHFFFAOYSA-N;138.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317372;MM317372;C=CC(C)CCC(=C)CC;YIKDYPKKYZOQMB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317373;MM317373;CON=C(CCF)C(=O)O;NSQUCZBCNSPRTA-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317374;MM317374;C=CC(C)CCC(=C)CN;PIDUOXUAPFMVQQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317375;MM317375;COC(C)ON=CC(=O)O;VOROXQPDBGRPJQ-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317376;MM317376;C=CC(C)CCC(=C)CO;ARFYLXZRJUOTIP-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317377;MM317377;Cn1oc(=O)c(O)cc1=O;WLVJBUMLSDFGTR-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317378;MM317378;C=C(CC)CCC(C)C=O;XGSCHOJSMVZHNU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317379;MM317379;Cn1oc(=O)c(=O)oc1=N;HXIPFWGXAMVRMZ-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317380;MM317380;C=C(CC)CCC(C)C#N;DCFIFBAZPRQZBT-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317381;MM317381;C=C(CO)CCC(C)C=O;YSMBBGMSXDYAQC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317382;MM317382;Cn1oc(=O)c(=O)oc1=O;LVLRWJMTLRLVKR-UHFFFAOYSA-N;145.07;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317383;MM317383;C=C(CO)CCC(C)C#N;ATHBHLNPXOBWMX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317384;MM317384;N=c1oc(=O)c(=O)on1N;PRIABUKHQHQJHA-UHFFFAOYSA-N;145.07;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317385;MM317385;C=C(CF)CCC(C)C=O;FPOMQRXBEJQYOK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317386;MM317386;Nn1oc(=O)c(=O)oc1=O;CONOPIMFNYAOFZ-UHFFFAOYSA-N;146.06;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317387;MM317387;C=C(CF)CCC(C)C#N;PXGJKVZSAPCBLL-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317388;MM317388;C=CCC(=C)C(=C)C(N)=O;GRVWOMAYQBMOAZ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317389;MM317389;C=CC(C)CCC(=O)CC;AJWBHUZFDFQPSD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317390;MM317390;CN(C=O)CC(O)C(=O)O;KWPKCUZJDVZWCM-UHFFFAOYSA-N;147.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317391;MM317391;C=CC(C)CCC(=O)CF;ZEHJOJSAPYXZBP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317392;MM317392;C=C1CC(=C)C(=C)CC1=C;BRUXOYYYNWQHNO-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317393;MM317393;CCC(=O)CCC(C)C=O;PZUHPQBEIPBBNA-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317394;MM317394;C=C1CC(=C)C(=O)CC1=C;XWOGIAZGUKGNNV-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317395;MM317395;CCC(=O)CCC(C)C#N;TVJZIJFINWZROT-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317396;MM317396;C=C1CC(=O)C(=O)CC1=C;ZOFCYIQXBXHHCI-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317397;MM317397;CC(C=O)CCC(=O)CF;MRSZUIQRORAUQU-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317398;MM317398;C=C1CC(=C)C(=O)CC1=O;DVYWLZNQSLCDKN-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317399;MM317399;CC(C#N)CCC(=O)CF;NJYRCRBDUCEKMF-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317400;MM317400;C=C1CC(=O)C(=C)CC1=O;KFPMLYZDKKUTBA-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317401;MM317401;C=CC(N)CCC(=C)CN;AEDIKDCVDHGNMN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317402;MM317402;C#Cc1cnoc1O;VCMRTYIHGMCCAQ-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317403;MM317403;C=CC(C)C(=C)C(N)=O;UBZRBCFZRYQRIT-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317404;MM317404;CCC(=NO)OCC(=O)O;MRQWWLNTCXGPDI-UHFFFAOYSA-N;147.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317405;MM317405;C=C(CC)CCC(O)C#N;LTDOMNYZKBVRQW-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317406;MM317406;C=c1[nH]c(=N)c(=N)[nH]c1=C;YTGXVPRUXLWVNJ-UHFFFAOYSA-N;136.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317407;MM317407;C=CC(O)CCC(=O)CC;IYBYNVVJZDSXBO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317408;MM317408;C=c1oc(=C)c(=O)[nH]c1=N;UUBJHEOBWJURBO-UHFFFAOYSA-N;138.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317409;MM317409;O=CC(O)CCC(=O)CF;XGMGNOHNSZJHGX-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317410;MM317410;C=c1oc(=C)c(=O)[nH]c1=O;RGQVCGITDBPNAP-UHFFFAOYSA-N;139.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317411;MM317411;C=CC(F)CCC(=C)CF;ARAIAUSBPCSFIJ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317412;MM317412;C=c1oc(=O)c(=O)oc1=C;WIFUBVUNYHWLDD-UHFFFAOYSA-N;140.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317413;MM317413;C=C(CC)CCC(F)C=O;JWYFDEAYVRWQRM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317414;MM317414;C=c1oc(=C)c(=O)oc1=O;ZZVMGGVFHPNEQR-UHFFFAOYSA-N;140.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317415;MM317415;C=C(CC)CCC(F)C#N;BQADUTMJPCISEM-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317416;MM317416;C=c1oc(=O)c(=C)oc1=O;RLFWKEYBZBTMJH-UHFFFAOYSA-N;140.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317417;MM317417;C=C(CO)CCC(F)C=O;CKFJDMLFOBUMNK-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317418;MM317418;CC1=CC(C)N(C)CC1N;BZQMDVNTEUFMHK-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317419;MM317419;C=C(CO)CCC(F)C#N;AMPSCWLDGIJILP-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317420;MM317420;CC1=CC(=N)N(C)CC1C;FPCYWOYHJBXADY-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317421;MM317421;C=C(CF)CCC(F)C=O;BTHQDWDWFYTJJG-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317422;MM317422;CC1CN(C)C(=N)C=C1N;CVWMUWSDPYISFD-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317423;MM317423;C=C(CF)CCC(F)C#N;UZFJQGMKHXZGOD-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317424;MM317424;N=C1C=C(N)C(O)CN1N;AWMSLJICCUXHPT-UHFFFAOYSA-N;142.16;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317425;MM317425;CCC(=O)CCC(F)C#N;PEXRDHNNLDHFTK-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317426;MM317426;Cc1cc(=N)n(C)cc1O;IUZQHCMAGBQHTD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317427;MM317427;N#CC(F)CCC(=O)CO;YLURQVMFFCFCJO-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317428;MM317428;C=C1CN(C)C(=O)C=C1C;IFPBFBSLYCRMDG-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317429;MM317429;N#CC(F)CCC(=O)CF;OFIBIZCTIWRJHP-UHFFFAOYSA-N;147.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317430;MM317430;C=C1CN(C)C(=O)C=C1F;SBRWKUSIIKYGRL-UHFFFAOYSA-N;141.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317431;MM317431;C=CC(C)CCC(=N)NC;HTGPVIHPOHOIFI-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317432;MM317432;Cn1cc(O)c(N)cc1=O;AOKZBLQMUUPYLJ-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317433;MM317433;Cn1cc(O)c(F)cc1=O;VBJWQKUFAIBARZ-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317434;MM317434;C=CC(C)CCC(=N)NN;ZJRUKZFFUSDERK-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317435;MM317435;NN=CC(OC=O)OC=O;ZMMDEQRDPIKXPC-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317436;MM317436;CNC(=N)CCC(C)C#N;GBYYWXHCSGJSID-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317437;MM317437;Cc1cc(=N)n(O)cc1O;ZNWINCRYJJMVHL-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317438;MM317438;C=C(C)C(C)CCCO;BTUSKSMQQQASJC-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317439;MM317439;N=c1cc(N)c(O)cn1O;IVEJFKJXMODIAG-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317440;MM317440;CC(=O)C(C)CCCO;NTYMBVPKUUBZPL-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317441;MM317441;Cn1nc(N)c(N)cc1=N;JQEAOIWRRNMWRJ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317442;MM317442;C=CC(O)CCC(=N)NO;ZOFFJYQBQISQQO-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317443;MM317443;CCCC(NC=O)C(C)C;JTSWTUBUGKGNEI-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317444;MM317444;CNC(=N)CCC(O)C#N;PUBHXFHQMGFQHC-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317445;MM317445;C=CC1(CC)CC1C(N)=O;BNGVPIHCYJUIDV-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317446;MM317446;N#CC(O)CCC(=N)NO;SMXFFFPCGDNIDX-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317447;MM317447;CNc1n[nH]n(N)c1=O;GBOHPLNDRQVMFT-UHFFFAOYSA-N;129.12;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317448;MM317448;CC=CC=C(C)C(N)=O;RDYBGTLOFAVUHU-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317449;MM317449;CON=C(C)OCC(=O)O;KZQKZBCKKPRBCB-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317450;MM317450;C=CC(O)CCC(=O)NO;FCXAGPZRBZHSPD-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317451;MM317451;CNN=C(N)C(=O)O;PFGMNVFHEHHLQR-UHFFFAOYSA-N;117.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317452;MM317452;CNC(=O)CCC(O)C#N;GLMNISJIYMGDRF-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317453;MM317453;C=CC1(C(C)C(N)=O)CC1;JJFDODNEOJZUCH-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317454;MM317454;C=CC(F)CCC(=N)NC;XHXWEBQBLJCOEU-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317455;MM317455;CC(C=O)N(C)C(=N)C#N;LUVWBDXUUFUHKQ-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317456;MM317456;C=CC(F)CCC(=N)NN;LVIRSFMDMOLODK-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317457;MM317457;Cn1nc(N)c(F)nc1=O;ULDPXBUUTPJAKV-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317458;MM317458;C=CC(C)CCC(=C)OC;JDIOWVHZBAYRPB-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317459;MM317459;CC(ON=CCF)C(=O)O;HAOSAUVAFUDIGD-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317460;MM317460;C=C(CCC(C)C=O)OC;KXFNERLVNDDTAK-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317461;MM317461;N=Cn1[nH]c(=O)n(N)c1=O;WHZPDYKWHYGXDU-UHFFFAOYSA-N;143.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317462;MM317462;COC(=O)CCC(C)C#N;NHXMWXDIYYPUEX-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317463;MM317463;CCN(C)N(C=O)CC=O;SMWHQVONYLJTPK-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317464;MM317464;C=C(CCC(O)C#N)OC;LGDKSBFCVSOTEA-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317465;MM317465;N#CCNN(C=O)CC=O;HJKKLJGIBZTLBU-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317466;MM317466;C=CC(F)CCC(=C)OC;LLJITTRTRMCGOJ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317467;MM317467;Nc1nn(N)c(=O)nc1F;GOLJBFVXEOHFTK-UHFFFAOYSA-N;145.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317468;MM317468;C=C(CCC(F)C#N)OC;PFFWGVPLTPFVGC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317469;MM317469;C#CC=NNCC(=O)O;FSUHINDCARMNSG-UHFFFAOYSA-N;126.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317470;MM317470;C=CC(C)CNC(=N)CC;NLJXKYMUPGEFFI-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317471;MM317471;N#CC(CNCC=O)=NO;BCCLXPOVJKEFDF-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317472;MM317472;CCC(=N)NCC(C)C=O;ZDPBBWJZQORBBD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317473;MM317473;CC1(O)C2C=C(CO)CC21;XDDNHTJDIOAWFM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317474;MM317474;CCC(=N)NCC(C)C#N;ZTQFINWSIZOTLU-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317475;MM317475;O=c1n(O)c(O)c(F)n1O;ZMPNDFFDJRRPJB-UHFFFAOYSA-N;150.07;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317476;MM317476;CC(C=O)CN=C(N)CO;ZQZKMFMXOIGIDC-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317477;MM317477;C=C(OC)C(O)C(=O)O;XGTZJWYIOVEGME-UHFFFAOYSA-N;132.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317478;MM317478;CC(C#N)CNC(=N)CO;YZQSXPUTPNVHTP-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317479;MM317479;C=CC#CCOCC(=O)O;WTRVIGAXGFSSQC-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317480;MM317480;CC(C#N)CNC(=O)CO;FANCOUTXLRNQPE-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317481;MM317481;COCC(O)C(=O)O;JFISKVPZHADVPM-UHFFFAOYSA-N;120.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317482;MM317482;C=CC(N)CNC(=N)CO;ZAEWRHOQGKMJJN-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317483;MM317483;COCC(F)C(O)C(=O)O;JYNOYUTZJKMKBW-UHFFFAOYSA-N;152.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317484;MM317484;C=CC(N)CNC(=O)CN;PGFBJQGYGRNDJP-UHFFFAOYSA-N;143.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317485;MM317485;CCn1[nH]nc(O)c1=O;KRNGTUHVGADSLE-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317486;MM317486;C=CC(N)CNC(=O)CO;OVSVDYPOSGPZQP-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317487;MM317487;Cn1oc(=O)c(N)cc1=N;ZDRYEXPORLFDAN-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317488;MM317488;C=CC(O)CNC(=N)CC;IPBRJPQIPXJEFW-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317489;MM317489;Cc1cc(=O)n(C)oc1=O;KEXGRIVYQUHZRA-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317490;MM317490;CCC(=N)NCC(O)C#N;ZLPIGOSSGWKJMR-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317491;MM317491;Cn1oc(=O)c(N)cc1=O;RTTUOAJBTZVMNI-UHFFFAOYSA-N;142.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317492;MM317492;NC(CO)=NCC(O)C=O;SUSDDFYCWZDKSK-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317493;MM317493;Cn1oc(=O)c(F)cc1=O;RBTKDVCASBLFKU-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317494;MM317494;N#CC(O)CNC(=N)CO;XWDCPXSUDKGRPF-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317495;MM317495;N=c1cc(F)c(=O)on1N;NFIAAJKYVIWCKY-UHFFFAOYSA-N;145.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317496;MM317496;N#CC(O)CNC(=O)CO;QIKYSSIYNXFSAV-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317497;MM317497;Cc1cc(=O)n(N)oc1=O;IQZZRXWZMNWPPF-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317498;MM317498;N#CC(O)CNC(=O)CF;SJYMFHOOSAWRAT-UHFFFAOYSA-N;146.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317499;MM317499;N#CC(=CN)CC1CC1O;YKIAUONRAFYHHC-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317500;MM317500;C=CC(F)CNC(=N)CC;SNPKOCZCQGPZJD-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317501;MM317501;Nn1oc(=O)c(O)cc1=O;IRKJZKLZVKIQCW-UHFFFAOYSA-N;144.09;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317502;MM317502;CCC(=N)NCC(F)C=O;GGZWJTSUFYWEGY-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317503;MM317503;Nn1oc(=O)c(F)cc1=O;TTXJDVKUHLRGMA-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317504;MM317504;NC(CO)=NCC(F)C=O;GYXJDMOUCMGKFC-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317505;MM317505;N=c1cc(O)c(=O)on1O;PEWPMNDKKRJBML-UHFFFAOYSA-N;144.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317506;MM317506;N#CC(F)CNC(=N)CO;BOTSCXNVRAMNLG-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317507;MM317507;CCN=C1CN=C(OC)N1;ITWCXWDQNNLYDZ-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317508;MM317508;C=CC(F)CNC(=O)CC;MPPDIIYKADKFKW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317509;MM317509;O=c1nconc1O;OWRPZFHQYHPUDQ-UHFFFAOYSA-N;114.06;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317510;MM317510;C=CC(C)CNC(=N)NC;VVHDHFABHOZJNE-UHFFFAOYSA-N;141.22;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317511;MM317511;ON=c1nc(O)nnn1O;BXFYAPNDOKUNKN-UHFFFAOYSA-N;145.08;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317512;MM317512;CNC(=N)NCC(C)C=O;CUBPXTUEXGNBAO-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317513;MM317513;CON=c1oc(O)c(F)o1;YRLDZIBOQMJATA-UHFFFAOYSA-N;149.08;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317514;MM317514;CC(C=O)CNC(=N)NO;SNKBQGOCIWQIAH-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317515;MM317515;CONC(=O)C(CO)OC;JOBJGRIVDYCIIZ-UHFFFAOYSA-N;149.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317516;MM317516;CC(C#N)CNC(=N)NO;MXNQLSVTVSDCBE-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317517;MM317517;CC1=CC(C)C(=O)CC1O;NNCIHVWLOTWCIU-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317518;MM317518;CC1=CN(O)C(=N)CC1C;NAOVOMDTLRTKEN-UHFFFAOYSA-N;140.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317519;MM317519;C=CC(C)CNC(=O)NC;ZUHBYWUZTFGXOT-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317520;MM317520;CC(C=O)CNC(=O)NO;QLFDXGBXXRFITF-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317521;MM317521;CC1=CN(C)C(=O)CC1C;OVKZTDJZBGDYKM-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317522;MM317522;CC(C#N)CNC(=O)NO;FWSONZLERFUWSK-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317523;MM317523;CC1=CN(O)C(=O)CC1C;IODFOUXRVMRTRF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317524;MM317524;C=CC(N)CNC(=N)NC;UDYNPWXAIRLMOF-UHFFFAOYSA-N;142.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317525;MM317525;Cc1cn(C)c(=N)nc1N;DSLQPEAMTNMVOZ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317526;MM317526;C=CC(N)CNC(=N)NO;RFRXGZZCDRMFFS-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317527;MM317527;Cn1cc(N)c(N)nc1=N;GMQAJSKAUSSKOU-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317528;MM317528;C=CC(N)CNC(=O)NC;WYMYLLUJTIUEES-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317529;MM317529;Cn1cc(F)c(N)nc1=N;HKTOJVQFUHYWGR-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317530;MM317530;C=CC(N)CNC(=O)NO;XOVNTMOCVMTJES-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317531;MM317531;Cn1cc(N)c(=O)[nH]c1=N;NDSHTQXTDCXNQV-UHFFFAOYSA-N;140.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317532;MM317532;C=CC(O)CNC(=N)NC;DYCNQWRYKHNBJQ-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317533;MM317533;Cc1cn(N)c(=N)nc1N;LUCSPKROBQLQLA-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317534;MM317534;C=CC(O)CNC(=N)NN;MQWCVEGVWGPVSM-UHFFFAOYSA-N;144.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317535;MM317535;N=c1nc(N)c(N)cn1N;HMFKBASJDWSBGA-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317536;MM317536;C=CC(O)CNC(=N)NO;NFRQFTFDKUNEEU-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317537;MM317537;N=c1nc(N)c(F)cn1N;FLRPNENSEINTSL-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317538;MM317538;CNC(=N)NCC(O)C=O;JKUUJHRTBXXHGQ-UHFFFAOYSA-N;145.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317539;MM317539;N=c1[nH]c(=O)c(N)cn1N;KDYRCNWPTXHNJW-UHFFFAOYSA-N;141.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317540;MM317540;C=C1NC(=N)N(O)C=C1C;AGKAYFJCPBCKFT-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317541;MM317541;N=C(NO)NCC(O)C=O;OLRXPPNFUXZDDL-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317542;MM317542;Cc1cn(O)c(=N)nc1N;OKNSJWOUXDLJLH-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317543;MM317543;N#CC(O)CNC(=N)NO;GQJDAXQAHUCQRA-UHFFFAOYSA-N;144.13;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317544;MM317544;N=c1nc(N)c(N)cn1O;OAPSSGZSEVEJJO-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317545;MM317545;C=CC(O)CNC(=O)NC;YWXMNCJSEMATBH-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317546;MM317546;N=c1nc(N)c(F)cn1O;AXGUBQJVEZDWOM-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317547;MM317547;CNC(=O)NCC(O)C=O;UMNXQQHSOXDHKJ-UHFFFAOYSA-N;146.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317548;MM317548;Cc1cn(O)c(=N)[nH]c1=O;WLFBUCQXAISELU-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317549;MM317549;N#CC(O)CNC(=O)NO;PBXINIWRMHGGTB-UHFFFAOYSA-N;145.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317550;MM317550;N=c1[nH]c(=O)c(N)cn1O;XQDRBPNHYISWBO-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317551;MM317551;C=CC(F)CNC(=N)NC;KQAWPFLBJLTIPV-UHFFFAOYSA-N;145.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317552;MM317552;C=CCC1=NNC(C=O)C1;MKGDKIAVAHMPHA-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317553;MM317553;CNC(=N)NCC(F)C=O;BKFLLTODFUKADC-UHFFFAOYSA-N;147.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317554;MM317554;N=c1nc2oncnc-2[nH]1;PEISUZIVFSGLJR-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317555;MM317555;N#CC(F)CNC(=N)NO;DEAYJZJHUDVLDG-UHFFFAOYSA-N;146.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317556;MM317556;Cn1cc(F)c(N)nc1=O;UEOOHYFUDJATBV-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317557;MM317557;COC(=O)NCC(C)C=O;RXQUEIVNSSBGOE-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317558;MM317558;Cn1cc(N)c(O)nc1=O;KKKKQVZKEFWOFS-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317559;MM317559;COC(=O)NCC(O)C#N;YLBWTDJOCFKRIU-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317560;MM317560;CCC1=CC(=CO)N=N1;REFYCUXXHJHFIM-UHFFFAOYSA-N;124.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317561;MM317561;COC(=O)NCC(F)C=O;UONURARPPDIYFS-UHFFFAOYSA-N;149.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317562;MM317562;CN=C1NN=C(C=O)NO1;HAHYNOPCYGBPDF-UHFFFAOYSA-N;142.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317563;MM317563;COC(=O)NCC(F)C#N;KHFORWHWCDBYRC-UHFFFAOYSA-N;146.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317564;MM317564;CCCCNC=O;QQGNLKJAIVSNCO-UHFFFAOYSA-N;101.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317565;MM317565;C=CC(C)COC(=C)CN;IIOJSTOUBGUWEV-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317566;MM317566;Nc1nc(=O)n(N)cc1O;SUZSWIAZUNOQLM-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317567;MM317567;C=C(CF)OCC(C)C#N;UWAJIMJYJAVCDC-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317568;MM317568;CC1CC1CC(N)=O;PRVFNLNOTDDZIC-UHFFFAOYSA-N;113.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317569;MM317569;C=CC(C)COC(=O)CC;RLQFVBFYFOXHCZ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317570;MM317570;Nc1cn(N)c(=O)nc1O;GYIGSANRLCYVNL-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317571;MM317571;CCC(=O)OCC(C)C=O;GGXKANNABUQBAM-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317572;MM317572;CCc1nnn(O)c1O;HFWJSTRLKLULGY-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317573;MM317573;CCC(=O)OCC(C)C#N;XIZIFBNPKXUYJT-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317574;MM317574;NC(CF)=NN=CC(=O)O;DFHVSCWHCCIPKG-UHFFFAOYSA-N;147.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317575;MM317575;CC(C#N)COC(=O)CF;STCNOYNEJNGSMF-UHFFFAOYSA-N;145.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317576;MM317576;CCCc1n[nH]c(O)n1;PWAHGRCNQLPWEG-UHFFFAOYSA-N;127.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317577;MM317577;C=CC(N)COC(=C)CC;XSLVXMQYSCTWQC-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317578;MM317578;CCc1n[nH]c(O)n1;NSYKPXCGPMWPGL-UHFFFAOYSA-N;113.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317579;MM317579;C=CC(N)COC(=C)CO;SJJMYQGOZIPHDM-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317580;MM317580;Cn1[nH]oc(=NN)c1=O;FDFAEWBTMKBAEW-UHFFFAOYSA-N;130.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317581;MM317581;C=CC(N)COC(=O)CO;LVEQWTFHFIWEKO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317582;MM317582;Nn1[nH]c(O)c(O)c1=O;YSSQLLCSPQCREQ-UHFFFAOYSA-N;131.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317583;MM317583;C=CC(O)COC(=C)CN;QPICMGWVJZQOCB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317584;MM317584;Cc1nn(C)c(=N)nc1N;ZBFGMZISBVBLIN-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317585;MM317585;C=C(CC)OCC(O)C=O;FIVALSQVSVGLKS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317586;MM317586;Cc1nn(O)c(=N)nc1N;GPUPYBVDAOQSTN-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317587;MM317587;C=C(CC)OCC(O)C#N;RRJAFLKGKQPXQX-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317588;MM317588;NN=CC#CCC(=O)O;AYSJTFFSOQMIFC-UHFFFAOYSA-N;126.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317589;MM317589;C=C(CO)OCC(O)C=O;RJPKSMICZCGCOZ-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317590;MM317590;CNC(=NO)OCC(=O)O;XVUZEKXEPBIGQP-UHFFFAOYSA-N;148.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317591;MM317591;C=C(CF)OCC(O)C=O;YKZYPNITOGBVRD-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317592;MM317592;Cc1nn(C)c(=O)nc1N;RVDAISWDRQUUSO-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317593;MM317593;C=CC(O)COC(=O)CC;KQDSDIMUZALWLL-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317594;MM317594;Cn1nc(F)c(N)nc1=O;CUQUTBRTCIEQQE-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317595;MM317595;CCC(=O)OCC(O)C#N;TXTFKSSDPKGZMC-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317596;MM317596;CC(=NOCC(=O)O)NO;XFWNQZLMJAVZBM-UHFFFAOYSA-N;148.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317597;MM317597;O=CC(O)COC(=O)CO;VFJHTCSYQZFNNB-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317598;MM317598;CCCNC=C(C)C(=O)O;XOEIFHAJIFPTSK-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317599;MM317599;N#CC(O)COC(=O)CO;OVNUVAQZPOUHTO-UHFFFAOYSA-N;145.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317600;MM317600;NC(=O)CCC1CC1;QQKQVOVFPXDPEM-UHFFFAOYSA-N;113.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317601;MM317601;C=CC(F)COC(=C)CO;NJHAFHKUXKRRBG-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317602;MM317602;CC(C)(CO)CCCO;QQOJDTOGFYCSAU-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317603;MM317603;C=C(CO)OCC(F)C=O;CCXIGUWFSBDPNP-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317604;MM317604;NC(CCC(=O)O)=NO;RBWNWFMSMOEBSS-UHFFFAOYSA-N;132.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317605;MM317605;C=C(CF)OCC(F)C=O;NNADSJCTLZACIY-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317606;MM317606;O=CC(=O)OCCC(=O)O;XVTRKDJZTLOIRQ-UHFFFAOYSA-N;146.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317607;MM317607;C=CC(C)COC(=N)NC;WWVVJCVMYDYNHR-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317608;MM317608;C=COC(=C)C(=O)O;WWQRDAMGSQVYAE-UHFFFAOYSA-N;114.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317609;MM317609;CNC(=O)OCC(C)C=O;LFXSSBKIGGPLNR-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317610;MM317610;C#CC(O)(C=O)CC(=O)O;NQGNZKNMGIMDAI-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317611;MM317611;CNC(=O)OCC(C)C#N;OPGKILWOYJVXBF-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317612;MM317612;C=CC(N)COC(=N)NC;VEMIZTXAPGZLNH-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317613;MM317613;C#CC1(OCC(=O)O)CC1;MVURASJZABNLTG-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317614;MM317614;C=CC(N)COC(=N)NO;BWSUSOFAYBSUBI-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317615;MM317615;O=c1cnc(=O)c(O)no1;MFKCWIDZSWEZMJ-UHFFFAOYSA-N;142.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317616;MM317616;C=CC(N)COC(=O)NC;SWLOTZPIUNVESL-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317617;MM317617;Cc1nn(C)c(=N)oc1=O;LHMCFNPKJUJFDJ-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317618;MM317618;C=CC(O)COC(=O)NO;UJWQCMTZCGGFSI-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317619;MM317619;Cn1nc(F)c(=O)oc1=N;MSWQDIOUEHXZAY-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317620;MM317620;CNC(=O)OCC(O)C=O;SSYOBPUFRHQQHI-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317621;MM317621;Cc1nn(N)c(=N)oc1=O;KXKSLYFZNUFPHJ-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317622;MM317622;O=CC(O)COC(=O)NO;WIUXEVWMQKHNJF-UHFFFAOYSA-N;149.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317623;MM317623;N=c1oc(=O)c(F)nn1N;DEMCYNVGGUXTLL-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317625;MM317625;CC1(C)NC1C(=O)C#N;KUJYRWONXBASPK-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317624;MM317624;N#CC(O)COC(=O)NO;MZSUBLBTQUZPNT-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317626;MM317626;C=CC(F)COC(=N)NC;YSZAVVUQGKOCSQ-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317627;MM317627;C=C(C)CCCNC=O;AVNUBFPAZZIDRN-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317628;MM317628;CNC(=N)OCC(F)C=O;NBLPFPLLNPBNAK-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317629;MM317629;Cc1nn(C)c(=O)oc1=O;ONZJQYNXEWOEPH-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317630;MM317630;C=CC(F)COC(=O)NO;CMXZNGLSNYCSIV-UHFFFAOYSA-N;149.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317631;MM317631;Cn1nc(F)c(=O)oc1=O;MNTZKVVMJHPLDT-UHFFFAOYSA-N;146.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317632;MM317632;CNC(=O)OCC(F)C#N;WKIHDWGJOHVPKW-UHFFFAOYSA-N;146.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317633;MM317633;Cc1nn(N)c(=O)oc1=O;AQIZHKRRWOYGFQ-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317634;MM317634;N#CC(F)COC(=O)NO;UFZLNBKLYRZFBD-UHFFFAOYSA-N;148.09;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317635;MM317635;Nn1nc(F)c(=O)oc1=O;LLBXLSCHVOHYNQ-UHFFFAOYSA-N;147.07;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317636;MM317636;COC(=O)OCC(O)C#N;IYTWHECKTQHRQU-UHFFFAOYSA-N;145.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317637;MM317637;CONC(=O)C1CO1;KRNAKRRKUWRKAI-UHFFFAOYSA-N;117.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317638;MM317638;C=CC(F)COC(=O)OC;BQXOLOXNGZCYAN-UHFFFAOYSA-N;148.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317639;MM317639;C#CC=C(C)C(O)C(=O)O;APWHJMJLEQCGHG-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317640;MM317640;C=CCC(=CC)C(N)=O;NKAKVIANDIKWAP-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317641;MM317641;C=C1C=C(C)C(C)CC1=O;MRBOLAYPFQMGPO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317642;MM317642;C#CC(C)=CC1CC1O;BBJHCLARLDUBRX-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317643;MM317643;C=C1C=C(F)C(C)CC1=O;PRXLUGAECYVFPI-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317644;MM317644;C=C1C=C(CO)CC1C;JHRXSPVPDZWRQX-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317645;MM317645;Cc1cc(=O)c(O)cn1C;BHUURRZNXRDROF-UHFFFAOYSA-N;139.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317646;MM317646;C=CC(C)NCC(=N)NO;DYCZXBZCQCQAJJ-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317647;MM317647;Cn1cc(O)c(=O)cc1N;YSVRCFRCFZFSPO-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317648;MM317648;CC(C=O)NCC(=N)NO;ZXUHCJHHLGXVMO-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317649;MM317649;C=CC(C)CCNC=O;NBAAFIOJYMFGEH-UHFFFAOYSA-N;127.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317650;MM317650;CC(C#N)NCC(=N)NO;UDWSXOPQJNXYIY-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317651;MM317651;Cc1nc(=O)c(O)cn1C;GNSMEGGPNFBKNH-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317652;MM317652;C=C1CC(CO)=CC1C;INIGNUXAAKFHHY-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317653;MM317653;Cc1nc(=O)c(O)cn1O;NULTYWBUMIXRLR-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317654;MM317654;CC(C#N)NCC(=O)NO;GIGQJJXSICCQHX-UHFFFAOYSA-N;143.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317655;MM317655;C=C(NC(=O)CO)C(=O)O;LZQWOKLVQQDQBU-UHFFFAOYSA-N;145.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317656;MM317656;C=CC(C)NCC(=C)OC;RJFDAWJCTVRYQJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317657;MM317657;COC(C(=O)O)C(F)CO;AAHRCCPPDSKWJA-UHFFFAOYSA-N;152.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317658;MM317658;COC(=O)CNC(C)C#N;WTQUPEQROKDAMY-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317659;MM317659;CC(O)C(O)C(=O)O;LOUGYXZSURQALL-UHFFFAOYSA-N;120.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317660;MM317660;CCC(=N)NNC(C)C#N;CYYNAVIXBHHJRT-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317661;MM317661;COC(CO)C(=O)O;YNLNJDRLOAQMFQ-UHFFFAOYSA-N;120.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317662;MM317662;CC(C#N)NNC(=N)CO;ZUDNIBREEKGUDI-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317663;MM317663;Cc1cc(=O)c(=O)on1C;KHHXWERAACPZNO-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317664;MM317664;C=C(CO)C1CC(C)C1;JUQLXWOAFRTPEF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317665;MM317665;Cn1oc(=O)c(=O)cc1N;LEXXSIGQOIYXNP-UHFFFAOYSA-N;142.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317666;MM317666;C=CC(C)NNC(=O)CF;YKNRHTJSVZVAIZ-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317667;MM317667;Cn1oc(=O)c(=O)cc1F;LDYWTIKDGHLBNT-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317668;MM317668;CCC(=O)NNC(C)C#N;QEFMYNNWWYPONR-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317669;MM317669;Cc1cc(=O)c(=O)on1N;HFQLNEIMPQMOPV-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317670;MM317670;CNC(=N)NNC(C)C=O;XIBIDFDRJDKLPF-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317671;MM317671;Nc1cc(=O)c(=O)on1N;CVAYLNOWHMVUKC-UHFFFAOYSA-N;143.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317672;MM317672;CC(C=O)NNC(=N)NO;IOLVSXFNDOAJKG-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317673;MM317673;Nn1oc(=O)c(=O)cc1F;UZRLTKXTIYOBKH-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317674;MM317674;CC(C#N)NNC(=N)NO;GFGLFEVUUVZFBD-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317675;MM317675;Cc1cc(=O)c(=O)on1O;PZGJVKNPFMXXMB-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317676;MM317676;CNC(=O)NNC(C)C=O;GGYZAAIGUWZKIT-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317677;MM317677;Nc1cc(=O)c(=O)on1O;MWIMDOJVDPUSOA-UHFFFAOYSA-N;144.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317678;MM317678;CNC(=O)NNC(C)C#N;RMJYHSSVEWHZFN-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317679;MM317679;O=c1cc(F)n(O)oc1=O;NLFKEANBGIFZIZ-UHFFFAOYSA-N;147.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317680;MM317680;CC(C=O)NNC(=O)NO;TUSARJQIWBNHII-UHFFFAOYSA-N;147.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317681;MM317681;Cc1nc(=N)c(=O)on1C;DROGWUWCGFSWEW-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317682;MM317682;C=C(CO)C1CC(O)C1;RXTHPWAOPHCPCI-UHFFFAOYSA-N;128.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317683;MM317683;Oc1c(F)c(F)nn1O;NTXCLQRUXIWCDX-UHFFFAOYSA-N;136.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317684;MM317684;COC(=O)NNC(C)C=O;LIAIZSXHSKMHDK-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317685;MM317685;Cc1nc(=N)c(=O)on1N;ROHCYMCGGPQTMV-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317686;MM317686;C=CC(C)OCC(=C)CC;HRNYGRQHWSKYGN-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317687;MM317687;N=c1nc(N)n(N)oc1=O;MNYKLPKYFTUMKR-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317688;MM317688;C=CC(C)OCC(=C)CN;IHMOOHNPXKPEEJ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317689;MM317689;CC=CC1=CC(=CO)N=N1;JIYSJXKZEZXYNO-UHFFFAOYSA-N;136.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317690;MM317690;C=CC(C)OCC(=C)CO;AEWAGHCKLCKENN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317691;MM317691;CC(CC=O)=NN1CC1;PGWBVJKZAPTYNE-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317692;MM317692;C=CC(C)OCC(=C)CF;FHVMYHKDNSEZNS-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317693;MM317693;CC=Cn1cc(O)nn1;NECNFLMTFKDVHJ-UHFFFAOYSA-N;125.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317694;MM317694;C=C(CC)COC(C)C#N;PYMHELXHQVXVAX-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317695;MM317695;Cc1nc(=O)c(=O)on1C;PPLOJBITXJOHRP-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317696;MM317696;C=C(CF)COC(C)C=O;GBTKBHHHQJHRRU-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317697;MM317697;Cn1oc(=O)c(=O)nc1N;AQMGQCFHLICMMW-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317698;MM317698;C=C(CF)COC(C)C#N;ZULYRLCULLLGFM-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317699;MM317699;C=Cn1cc(O)nn1;NOGFEQZXFHHKOQ-UHFFFAOYSA-N;111.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317700;MM317700;C=CC(C)OCC(=O)CC;XGKJBVCYHNPIOB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317701;MM317701;Cc1nc(=O)c(=O)on1N;JPIWPJHUSQJIBK-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317702;MM317702;C=CC(C)OCC(=O)CO;YMTCCXMSTAMFFG-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317703;MM317703;NN1CC2(F)CC2C1=O;JSBACFRTZIZJHM-UHFFFAOYSA-N;130.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317704;MM317704;CCC(=O)COC(C)C#N;OYBPSFYGTJDYRC-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317705;MM317705;C=Nn1[nH]c(=N)n(O)c1=O;HHWJDZQINUXUGQ-UHFFFAOYSA-N;143.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317706;MM317706;CC(C#N)OCC(=O)CO;BTHUOUGXZDZWOZ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317707;MM317707;Cc1nc(=O)c(=O)on1O;HNOQAIIMRJQURM-UHFFFAOYSA-N;144.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317708;MM317708;C=CC(C)OCC(=N)NN;NMKRWJWJRBPSQY-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317709;MM317709;Nc1nc(=O)c(=O)on1O;HXEIEICRLFWDNA-UHFFFAOYSA-N;145.07;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317710;MM317710;C=CC(C)OCC(=N)NO;GGUUIQBGQGPYEB-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317711;MM317711;C#Cc1noc(=NN)[nH]1;KMRVAQKYWPFRGG-UHFFFAOYSA-N;124.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317712;MM317712;CN=C(N)COC(C)C=O;PWQLVHOVTNMOJP-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317713;MM317713;C=C1CC(=O)C(=O)C=C1C;MMWLLLMWQMONJY-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317714;MM317714;CNC(=O)COC(C)C=O;IOVGYCVGUMPHFZ-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317715;MM317715;C=C1CC(=O)C(=O)C=C1N;GPYJTZKZFLFLCE-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317716;MM317716;C=C(COC(C)C=O)OC;BNPKMPIEPPMCJE-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317717;MM317717;C=c1cc(C)c(=N)[nH]c1=C;ITRDNPKWZDZAOQ-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317718;MM317718;C=C(COC(C)C#N)OC;CEDAFDPKKJHWPR-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317719;MM317719;C=c1cc(F)c(=N)[nH]c1=C;PKSBAUQPWJTBFR-UHFFFAOYSA-N;138.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317720;MM317720;C=CC(C)OCC(=O)OC;FALANGLQBNYIQM-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317721;MM317721;C=c1cc(C)c(=O)[nH]c1=C;FYPBUJNNNXLYBZ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317722;MM317722;C=c1cc(F)c(=O)[nH]c1=C;PXHIHPJZNUHCTQ-UHFFFAOYSA-N;139.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317723;MM317723;COC(=O)COC(C)C=O;UCXFOCBKAUHELM-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317724;MM317724;COC(=O)COC(C)C#N;ABIHVJHIHZOEJB-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317725;MM317725;C=c1[nH]c(=N)c(=C)cc1C;HCSMBBGTSJWKKI-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317726;MM317726;C=CC(C)ONC(=N)CN;FAFXPUOJDNZMPZ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317727;MM317727;C=c1[nH]c(=N)c(=C)cc1F;QJWQNLQPZJKVTQ-UHFFFAOYSA-N;138.15;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317728;MM317728;CCC(=N)NOC(C)C#N;BMYDFHGIQSPNFN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317729;MM317729;C=c1[nH]c(=O)c(=C)cc1C;GPIQHFUCAZDXRO-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317730;MM317730;C=C(CO)C1CC(F)C1;FWJKPGQUZHLSLZ-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317731;MM317731;C=c1[nH]c(=O)c(=C)cc1F;SCFIVNZMAKKDRR-UHFFFAOYSA-N;139.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317732;MM317732;CC(C#N)ONC(=N)CO;VQPWZGMGOZRMGZ-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317733;MM317733;C=c1oc(=C)c(=N)nc1C;IKGHMFIDZAFLIT-UHFFFAOYSA-N;136.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317734;MM317734;N#CCC1C=CC(O)C1;WMBLPVIBXSJJNY-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317735;MM317735;C=c1oc(=C)c(=O)nc1C;GSYDHAJTJOIOOK-UHFFFAOYSA-N;137.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317736;MM317736;O=CCNN=CC(=O)O;PFEJSXCSDUQNIS-UHFFFAOYSA-N;130.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317737;MM317737;Cc1cc(=N)n(C)cc1N;DQCHSVNZORABIG-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317738;MM317738;CNC(=N)NOC(C)C=O;RZIYRVSKPKBWAX-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317739;MM317739;Cn1cc(N)c(N)cc1=N;ZMRKDMUFNOMADB-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317740;MM317740;CC(C=O)ONC(=N)NO;ZUQACCDKVIHQBW-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317741;MM317741;Cc1cc(=N)n(C)cc1F;YIYNWHYTLDMMDO-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317742;MM317742;C=CC(C)ONC(=O)NN;NYGKAUMMFWMTPS-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317743;MM317743;Cn1cc(F)c(F)cc1=N;NSUFXDDCOOEEMK-UHFFFAOYSA-N;144.12;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317744;MM317744;CNC(=O)NOC(C)C=O;UBQYTAHGZWQGFL-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317745;MM317745;Cn1cc(N)c(N)cc1=O;DPTNMQFNSIHECY-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317746;MM317746;CC(C=O)ONC(=O)NO;OADLRXOVWOELKK-UHFFFAOYSA-N;148.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317747;MM317747;Cn1cc(N)c(O)cc1=O;RZUWUBMHAJOZQL-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317748;MM317748;COC(=O)NOC(C)C=O;USRAPSVWWHZILJ-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317749;MM317749;Cn1cc(F)c(N)cc1=O;AIXOWNGZZAQTQO-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317750;MM317750;C=C(CC)CCN(C)C=N;ZTJGRZMAUVLHHP-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317751;MM317751;Cn1cc(F)c(F)cc1=O;QEKLRDJUXLFKHY-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317752;MM317752;C=C(CF)CCN(C)C=N;ANKWWXIKWIUETL-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317753;MM317753;Cc1cc(=N)n(N)cc1O;PPLNZAXFEFIYOC-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317754;MM317754;C=C(CC)CCN(C)C=O;ZLQWCMNIRSDPEA-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317755;MM317755;Cc1cc(=N)n(N)cc1F;WMBKQXVPNXOLIG-UHFFFAOYSA-N;141.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317756;MM317756;C=C(CO)CCN(C)C=O;KUCHAEHYAALWLN-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317757;MM317757;Cc1cc(=O)n(N)cc1F;RSGAHHWDXIZTNW-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317758;MM317758;N#CCC1=CC(O)CC1;CHNZWBSUFPVXPF-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317759;MM317759;Nn1cc(F)c(F)cc1=O;OVIGESHHHSSJBB-UHFFFAOYSA-N;146.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317760;MM317760;C=C(CO)CCN(N)C=N;FAKVLMKOBPNZCU-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317761;MM317761;Cc1cc(=N)n(O)cc1N;GXEGBBHSWOTZCJ-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317762;MM317762;C=C(CC)CCN(N)C=O;RXYLMIFUZOCMJV-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317763;MM317763;N=c1cc(N)c(N)cn1O;FPAYJYGWMOZQDZ-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317764;MM317764;COc1[nH]nc(N)c1N;BJYPORGCZZEVCA-UHFFFAOYSA-N;128.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317765;MM317765;N=c1cc(O)c(N)cn1O;LYRYOBKAKLGPCM-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317766;MM317766;C=C(CC)CCN(O)C=N;NRNWGEBCOWGDCL-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317767;MM317767;Cc1cc(=N)n(O)cc1F;XGNTWRFCDWRIHO-UHFFFAOYSA-N;142.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317768;MM317768;C=C(CC)CCN(O)C=O;BEVXKGRMQBPULJ-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317769;MM317769;O=CCC1CN1CC=O;GILHGUWXTAHONE-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317770;MM317770;C=C(CN)CCN(O)C=O;VMBKBVNNHIDYHC-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317771;MM317771;Cc1cn(C)c(=N)nc1C;PZLLTOJEQLPKGR-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317772;MM317772;C=C(CO)CCN(O)C=O;NXCPIQAWCQYUEZ-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317773;MM317773;Cc1cn(C)c(=N)nc1F;AQZIKMYTTSNKJC-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317774;MM317774;CCC(=O)CCN(O)C=N;VXVJUCHGIJYYAT-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317775;MM317775;Cc1nc(=N)n(C)cc1N;IWQAAIAGGTWHIN-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317776;MM317776;Cn1cc(N)c(F)nc1=N;XBMRCZLQJYDPND-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317777;MM317777;N=CN(O)CCC(=O)CO;BDKCIUWSWBHOMB-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317778;MM317778;Cc1nc(=N)n(C)cc1F;VYAFEBPCPSMVHT-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317779;MM317779;CCC(=O)CCN(O)C=O;CCOZPGKHDNAIIL-UHFFFAOYSA-N;145.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317780;MM317780;Cc1cn(C)c(=O)nc1C;BIFRQUZAFLHHAI-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317781;MM317781;O=CN(O)CCC(=O)CO;ZGPIGIMVJASWFD-UHFFFAOYSA-N;147.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317782;MM317782;Cc1cn(C)c(=O)nc1F;FMFJOUOQRLVNQZ-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317783;MM317783;O=CN(O)CCC(=O)CF;KYKFFRVYOWBZMG-UHFFFAOYSA-N;149.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317784;MM317784;OCCCC1(CO)CC1;ZSYYNFAZUBSZQT-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317785;MM317785;CNC(=N)CCN(C)C=N;DPAXYQDNNSNESD-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317786;MM317786;Cn1cc(N)c(F)nc1=O;ZWBKFKWAWCKFGX-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317787;MM317787;CN(C=N)CCC(=N)NN;JNDQFCHMSNXVIW-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317788;MM317788;Cc1nc(=O)n(C)cc1O;RNCFAUMYQYAITM-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317789;MM317789;CN(C=N)CCC(=N)NO;RNYHVDSWUPLLOE-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317790;MM317790;Cc1nc(=O)n(C)cc1F;UQISEPQSNGGLQP-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317791;MM317791;CNC(=N)CCN(C)C=O;DPIIFIPGIAFVJN-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317792;MM317792;Cn1cc(F)c(F)nc1=O;SLKNUKRORDWWSI-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317793;MM317793;CN(C=O)CCC(=N)NN;PLHAJHKJRVZFMT-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317794;MM317794;Cc1cn(N)c(=N)nc1C;SHHVOIZTMOSAHX-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317795;MM317795;CNC(=O)CCN(C)C=N;ILIIVDRMJOGZJF-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317796;MM317796;Cc1nc(=N)n(N)cc1N;IBAPQDUYZODZLG-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317797;MM317797;N=c1nc(F)c(F)cn1N;ORLAUYAKQXDCKV-UHFFFAOYSA-N;146.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317798;MM317798;CN(C=N)CCC(=O)NN;NDOOVEFQYHURAH-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317799;MM317799;Cc1cn(N)c(=O)nc1C;PDFZGCHLYVZHET-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317800;MM317800;CN(C=N)CCC(=O)NO;XXNQGUJYGMGNPL-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317801;MM317801;Cc1cn(N)c(=O)nc1F;TVNFZNRWJYKUTH-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317802;MM317802;CNC(=O)CCN(C)C=O;YLNIONPZDMDEHS-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317803;MM317803;C=CCCCCNC=O;YWLSCROSUVVQKC-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317804;MM317804;OC1CC1CC#CCF;MMHUOQLCZAKBGX-UHFFFAOYSA-N;128.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317805;MM317805;CC=CCCCNC=O;FSSWIMJLQHCUMP-UHFFFAOYSA-N;127.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317806;MM317806;CN(C=O)CCC(=O)NO;WYYOSEHHJSVBRV-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317807;MM317807;Cc1nc(=O)n(N)cc1O;OUTZLSZMYADQDM-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317808;MM317808;CNC(=N)CCN(N)C=N;BXYAZMXDVHIXBI-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317809;MM317809;Cc1nc(=O)n(N)cc1F;KEQNBLONABPBTA-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317810;MM317810;N=CN(N)CCC(=N)NN;AVSAUVZQMFDRHD-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317811;MM317811;Nn1cc(F)c(F)nc1=O;GWVXRRNCARHKGO-UHFFFAOYSA-N;147.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317812;MM317812;CNC(=N)CCN(N)C=O;VEHDSDCWFRAULA-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317813;MM317813;Cc1cn(O)c(=N)nc1C;CFZCCWOITYVWNN-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317814;MM317814;Cc1nc(=N)n(O)cc1N;AOZORQBDXOCKFO-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317815;MM317815;N=C(CCN(N)C=O)NN;VRMCRIMLABRZAE-UHFFFAOYSA-N;145.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317816;MM317816;CC(O)C(C)(C)CCCO;JJMASYVPLWOTOK-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317817;MM317817;N=C(CCN(N)C=O)NO;QABOSNKXDLHACD-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317818;MM317818;Cn1[nH]oc(=O)c1=NN;YKFPXMPPUQPGDY-UHFFFAOYSA-N;130.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317819;MM317819;CNC(=O)CCN(N)C=N;ZGKHYRJVIHOSSJ-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317820;MM317820;CC(O)C=NOCC(=O)O;NEPAXTFTKTZSHJ-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317821;MM317821;C#CC(C=C)C(=C)CO;KLZDTXXVLJLSEQ-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317822;MM317822;C#Cc1n[nH]n(N)c1=O;BMVVSPINNJNITE-UHFFFAOYSA-N;124.1;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317823;MM317823;CNC(=N)CCN(O)C=N;LZTPRAMJRKTSAH-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317824;MM317824;CN=c1[nH]nc(C#N)o1;RUEBTOZMWZNDNG-UHFFFAOYSA-N;124.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317825;MM317825;N=CN(O)CCC(=N)NN;IJXLGGCQOWWPFT-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317826;MM317826;Cn1oc(=O)nc(O)c1=N;KOYWBXVCTBCNMF-UHFFFAOYSA-N;143.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317827;MM317827;N=CN(O)CCC(=N)NO;XYXWJFBKMVKKNV-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317828;MM317828;C#CCC(=O)NCC(=O)O;ZZMIZINJXMNPLE-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317829;MM317829;CNC(=O)CCN(O)C=N;OWOXLXOVACNEAP-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317830;MM317830;N=c1nncnc(=O)[nH]1;ZXCSMVWIIDDQCL-UHFFFAOYSA-N;125.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317831;MM317831;N=CN(O)CCC(=O)NN;QDGSGLRBMMWOFP-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317832;MM317832;Cc1cc(=N)n(C)nc1C;OGWQHJMTAXFGTK-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317833;MM317833;CNC(=O)CCN(O)C=O;XWWVNAMZDFJHFG-UHFFFAOYSA-N;146.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317834;MM317834;Cn1nc(F)c(F)cc1=N;PGBISRPQALXOGR-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317835;MM317835;C=C(CCN(C)C=N)OC;YRGYAKPXLLKNNO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317836;MM317836;Cn1nc(F)c(F)cc1=O;DYQNWSJQWRKFGA-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317837;MM317837;COC(=O)CCN(C)C=O;SFCZYTAUNOIYEU-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317838;MM317838;Cc1cc(=N)n(N)nc1F;OXNZVISAZLFHRA-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317839;MM317839;CC1(O)CC1(C)CCCO;LBJBDRRQTQXBDU-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317840;MM317840;C=C(CCN(N)C=N)OC;ZKMZEWUOSJPHRQ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317841;MM317841;C=C(CCN(N)C=O)OC;RSTKMLXOHRREQJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317842;MM317842;N=c1cc(F)c(F)nn1N;JEKVBLVVKTWFSK-UHFFFAOYSA-N;146.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317843;MM317843;C=C(C)C=CC(=C)C(N)=O;CECKDCYKJYYBHG-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317844;MM317844;COC(=O)CCN(N)C=N;KFUYGUMUZRXTJF-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317845;MM317845;C=C(CO)CC=CC(C)O;IDAQMVJEIUTJFF-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317846;MM317846;COC(=O)CCN(N)C=O;CWDWZPITBQMQIC-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317847;MM317847;C=C(CCN(O)C=N)OC;HKTWRNYAFLWFLZ-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317848;MM317848;Cc1nn(C)c(=N)nc1F;VLWSMZZISJZQJJ-UHFFFAOYSA-N;142.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317849;MM317849;Cc1nc(=N)n(C)nc1F;FXOOGFLGVDAVQJ-UHFFFAOYSA-N;142.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317850;MM317850;C=C(CCN(O)C=O)OC;ZHNARTRWEGDODF-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317851;MM317851;Cn1nc(F)c(F)nc1=N;GLPXETXOFJUJLH-UHFFFAOYSA-N;146.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317852;MM317852;COC(=O)CCN(O)C=O;ZGBDWNYTAMRSOT-UHFFFAOYSA-N;147.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317853;MM317853;Cc1nc(=O)n(C)nc1C;USROHMADSNLHBQ-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317854;MM317854;C=NN(C)CCC(=C)CC;BQMUVJDVICIGDO-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317855;MM317855;Cc1nn(C)c(=O)nc1F;DQNHYOAUNQTGLL-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317856;MM317856;C=NN(C)CCC(=C)CF;LRBUYILMFYJTHO-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317857;MM317857;Cc1nc(=O)n(C)nc1F;WSNJGRXYRIVMKM-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317858;MM317858;C#CC(C)=C(C=C)CO;FLDCHXNTTQOTLR-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317859;MM317859;Cn1nc(F)c(F)nc1=O;FIOWGCWOWKWOKS-UHFFFAOYSA-N;147.08;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317860;MM317860;C=NN(C)CCC(=N)NC;YVLVXGAGFZXZRT-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317861;MM317861;Cc1nn(N)c(=N)nc1F;AXVHNEJUNYURDK-UHFFFAOYSA-N;143.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317862;MM317862;C=NN(C)CCC(=N)NN;PLVJWLAPVGHRSH-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317863;MM317863;Cc1nc(=N)n(N)nc1F;VGNOEYUZZGLDNH-UHFFFAOYSA-N;143.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317864;MM317864;C=NN(C)CCC(=N)NO;ZEXOSGHCGBSMMW-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317865;MM317865;N=c1nc(F)c(F)nn1N;LKGHYIRKKWBTGO-UHFFFAOYSA-N;147.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317866;MM317866;C=CC(CC)CCCO;XCOYKVAMKUXYNH-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317867;MM317867;Cc1nc(=O)n(N)nc1C;IMWGVCQDHLRJBY-UHFFFAOYSA-N;140.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317868;MM317868;CCC(C=O)CCCO;MXWFGQWFFJABHK-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317869;MM317869;Cc1nn(N)c(=O)nc1F;PGCNLOOMZVPZEC-UHFFFAOYSA-N;144.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317870;MM317870;C=NN(C)CCC(=C)OC;TUPPFRMAZCAMBO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317871;MM317871;Cc1nc(=O)n(N)nc1F;QUBJPHGRDFTXGU-UHFFFAOYSA-N;144.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317872;MM317872;C=C(CN)CNN(C)C=N;ZKIXJLSLBJELDF-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317873;MM317873;Nn1nc(F)c(F)nc1=O;PXEPYBWHSGIOSC-UHFFFAOYSA-N;148.07;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317874;MM317874;C=C(CO)CNN(C)C=N;SOGPIYWOSYSBME-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317875;MM317875;CCN(C)N=C(C)CC=O;DWUIOJSWLKRRRM-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317876;MM317876;C=C(CN)CNN(C)C=O;OWCNDLHKFARFLP-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317877;MM317877;CCC(=O)CNN(C)C=N;MTSJVTONIFYZHG-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317878;MM317878;CCCC(C)C(C)NC=O;GKGDVBHUQVJMNV-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317879;MM317879;CN(C=N)NCC(=O)CF;XNAWICHIGWITPQ-UHFFFAOYSA-N;147.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317880;MM317880;C=CCNC=C(C)C(N)=O;WYPGEPANTZUBHL-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317881;MM317881;C=CC(CF)CCCO;FOVDGPFYKJYZOQ-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317882;MM317882;O=CNC=COCC(=O)O;PJBJFWRAFWGWIX-UHFFFAOYSA-N;145.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317883;MM317883;C#CC=CC(C#C)CO;ZFFYEILOQSDXPG-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317884;MM317884;N=c1ncnnc(=O)[nH]1;JIRKEJLXCNRDTJ-UHFFFAOYSA-N;125.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317885;MM317885;C=CC#CC(CC)CO;HCHRSPRXZBBKPE-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317886;MM317886;O=C1NOCC1O;BMNAPPDFHSPHSD-UHFFFAOYSA-N;103.08;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317887;MM317887;CNC(=N)CNN(C)C=N;XJDNXSXRZWUTQQ-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317888;MM317888;CC(C=O)=CC(O)C(=O)O;VOLOMUAQXICJQB-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317889;MM317889;CN(C=N)NCC(=N)NN;RGMFWRCTBKDCEA-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317890;MM317890;C=c1cc(C)c(C)cc1=C;JTRSMHKLSFVLQO-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317891;MM317891;CN(C=N)NCC(=N)NO;FDUVATIYDOWCCY-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317892;MM317892;C=c1cc(C)c(F)cc1=C;NKNDJPUXCMYLMA-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317893;MM317893;CNC(=N)CNN(C)C=O;LWAUDANEOLCLSV-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317894;MM317894;C=c1cc(F)c(F)cc1=C;ZXNDNWTUTUAQHC-UHFFFAOYSA-N;140.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317895;MM317895;CN(C=O)NCC(=N)NN;OZMPJFFDUQOUMW-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317896;MM317896;CC1=CC(=O)C(=O)C=C1C;KLPBUQXSGNVDJD-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317897;MM317897;C=CC(C#CCC)CO;BJYRDCWYDZXODB-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317898;MM317898;CC1=CC(=O)C(=O)C=C1N;OQGAWMSOAXSPOM-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317899;MM317899;COC(=O)CNN(C)C=N;TXYDZPACROFSEH-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317900;MM317900;CC1=CC(=O)C(=O)C=C1F;ILJUJPBHRTUQDJ-UHFFFAOYSA-N;140.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317901;MM317901;COC(=O)CNN(C)C=O;LNHXZSYRUPJBHZ-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317902;MM317902;NC1=CC(=O)C(=O)C=C1N;HTJNKHQUDFVBDG-UHFFFAOYSA-N;138.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317903;MM317903;C=C(CC)CON(C)C=O;NQZDYGARGCNJKW-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317904;MM317904;NC1=CC(=O)C(=O)C=C1F;KWWZNHMSWFAJPS-UHFFFAOYSA-N;141.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317905;MM317905;C=C(CN)CON(C)C=O;VAPOAXPMBQJGDM-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317906;MM317906;C=C(CF)CON(C)C=O;LSTZPQVXUUTESA-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317907;MM317907;Cc1cc(=O)c(N)cn1C;KBXJGYOHUZKAMF-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317908;MM317908;CCC(=O)CON(C)C=N;COCQUWCRJCZJRG-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317909;MM317909;Cc1cc(=O)c(F)cn1C;QORIKMYFDDRTFY-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317910;MM317910;CCC(=O)CON(C)C=O;DSJOEDZKEVIHEP-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317911;MM317911;Cn1cc(F)c(=O)cc1N;GLDGREHWDXEUPL-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317912;MM317912;CNC(=N)CON(C)C=N;VVWUBZDRSUWMKJ-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317913;MM317913;Cc1cn(C)c(F)cc1=O;UGYBWEAVYHEMCL-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317914;MM317914;CN(C=N)OCC(=N)NN;YXRYPOACGQZDFI-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317915;MM317915;Cn1cc(N)c(=O)cc1F;VJXXRFKQKMSHEG-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317916;MM317916;CN(C=N)OCC(=N)NO;BSESPOVPEYGPNH-UHFFFAOYSA-N;146.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317917;MM317917;Cn1cc(F)c(=O)cc1F;XUZWYWRQVSWAPJ-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317918;MM317918;CN(C=O)OCC(=N)NN;QETSRQMIMFIWOE-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317919;MM317919;Cc1cc(=O)c(N)cn1N;JYWXWYDYEOHUAJ-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317920;MM317920;CNC(=O)CON(C)C=N;ITRMAWHMIOXIFT-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317921;MM317921;CC(C)C(C)C(C)NC=O;RVXRUNPBYODGOO-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317922;MM317922;CN(C=N)OCC(=O)NN;PWZUIVLKGSWVIK-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317923;MM317923;Cc1cc(=O)c(F)cn1N;SKMBKCLRANIFLN-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317924;MM317924;CN(C=O)OCC(=O)NO;LANJVBVEUZWFGI-UHFFFAOYSA-N;148.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317925;MM317925;Nc1cc(=O)c(O)cn1N;KGAPIVKFTAGRLG-UHFFFAOYSA-N;141.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317926;MM317926;C=C(CON(C)C=O)OC;DNWNMFYMZGBIEY-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317927;MM317927;Nc1cc(=O)c(F)cn1N;PQWAAKORXSFXTG-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317928;MM317928;COC(=O)CON(C)C=O;RUQZWHBLTIGVRM-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317929;MM317929;Cc1cn(N)c(F)cc1=O;UESNOOLLJUXAPV-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317930;MM317930;C=CC(=C)CCC(C)C=C;VXNQPKSAAUPXPC-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317931;MM317931;C=CC(C)CCC(=C)C=O;IQBMISZPWWOZMO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317932;MM317932;Nc1cn(N)c(F)cc1=O;YOAJWDGBVSQCCD-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317933;MM317933;C=CC(=C)CCC(C)C#N;LVZDLSBCNZAXCN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317934;MM317934;Cc1cc(=O)c(O)cn1O;CVJZGRKFISIOOM-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317935;MM317935;C=C(C=O)CCC(C)C=O;WXTZHWLSZPYGME-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317936;MM317936;Cc1cc(=O)c(F)cn1O;HZTWRRNWZSZYEF-UHFFFAOYSA-N;143.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317937;MM317937;C=C(C#N)CCC(C)C=O;RXYPFPVXUXRZOV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317938;MM317938;Nc1cc(=O)c(O)cn1O;PNKXQNWVMKDNED-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317939;MM317939;C=C(C#N)CCC(C)C#N;LZWTWUZTRIVZLO-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317940;MM317940;Nc1cc(=O)c(F)cn1O;URGGEMPEBNNLSI-UHFFFAOYSA-N;144.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317941;MM317941;C=CC(=O)CCC(C)C=C;LCWRGJJRYUNCQO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317942;MM317942;CC(=O)C=CC(O)C(=O)O;KZEYUWHQEUKNGP-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317943;MM317943;C=CC(=O)CCC(C)C=O;XTXNRADFMAUXAK-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317944;MM317944;Cc1cn(C)c(C)nc1=N;KJTYXHTZDFLZKO-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317945;MM317945;C=CC(=O)CCC(C)C#N;ZNXIJONCXVHCNX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317946;MM317946;Cc1cn(C)c(C)nc1=O;DTVPVFRKAVIUCZ-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317947;MM317947;CC(C#N)CCC(=O)C=O;SWWPKJGEFPHQTH-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317948;MM317948;Cc1nc(=N)c(N)cn1C;YFQXCQJVKYIKEA-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317949;MM317949;C=CC(=C)CCC(N)C=C;AXNGYUWEOUQZRO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317950;MM317950;C=CCC1CC(C(N)=O)C1;LULILHZNHYFZTB-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317951;MM317951;C=CC(C=C)=CCCO;WDCMHZOVLDNKLL-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317952;MM317952;Cc1nc(=N)c(F)cn1C;HCGQNKRTBRRRMD-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317953;MM317953;CNc1cn(OC)nn1;HIXZLPTWIWJIDB-UHFFFAOYSA-N;128.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317954;MM317954;Cc1nc(=O)c(F)cn1C;DOUFOYVLOVXTTC-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317955;MM317955;N#CC1CC1C1CC1O;ALTGIWVYLPYCLC-UHFFFAOYSA-N;123.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317956;MM317956;C=CC(=C)CCC(O)C#N;BWTXJGFAJDDZQJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317957;MM317957;Cc1cn(C)c(N)nc1=N;DSLQPEAMTNMVOZ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317958;MM317958;C=C(C=O)CCC(O)C#N;ILJULLYASNJXDL-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317959;MM317959;CC(CC=O)=NN1CC1C;OTCHKTATEJSJRU-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317960;MM317960;C=C(C#N)CCC(O)C#N;FRUJWAINFPJVTI-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317961;MM317961;Cn1cc(N)c(=N)nc1N;GMQAJSKAUSSKOU-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317962;MM317962;C=CC(=O)CCC(O)C=C;UQHTVFGIUUKSEY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317963;MM317963;CCC(C)(CO)CCCO;UHHZVZMVISQDSP-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317964;MM317964;C=CC(=O)CCC(O)C=O;QFJJFSHPHWMRNH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317965;MM317965;Cn1cc(O)c(=O)nc1N;NDPKHPXGFONDEY-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317966;MM317966;C=CC(=O)CCC(O)C#N;KWKSJAWVURLTJU-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317967;MM317967;Cn1cc(F)c(=N)nc1N;HKTOJVQFUHYWGR-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317968;MM317968;O=CC(=O)CCC(O)C=O;KXJDTTBBPVZHKH-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317969;MM317969;C#CCNN(C=O)CC=O;MMFNUUYZXUYKCS-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317970;MM317970;N#CC(=O)CCC(O)C=O;ZSIQKVCESLJIAX-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317971;MM317971;NN=c1oc(O)coc1=O;CYKTVKJPTHNEPA-UHFFFAOYSA-N;144.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317972;MM317972;C=CC(=C)CCC(F)C=C;MGRHLPYVIPHUQI-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317973;MM317973;NN=c1occ(O)oc1=O;YXOVSHPACUGRJR-UHFFFAOYSA-N;144.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317974;MM317974;C=CC(F)CCC(=C)C=O;AMCGWQZKKGWNBE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317975;MM317975;Oc1cn(O)nc1F;UTIILLNTULDJQZ-UHFFFAOYSA-N;118.07;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317976;MM317976;C=CC(F)CCC(=C)C#N;XGLWSMYBFZUUEK-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317977;MM317977;N#CCC(F)C(C=O)=NO;CZRKCIJKIQDCSW-UHFFFAOYSA-N;144.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317978;MM317978;C=CC(=C)CCC(F)C=O;KPJYIZAAUDQOOR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317979;MM317979;C#Cc1onc(O)c1F;JYPOIGABHFMAGJ-UHFFFAOYSA-N;127.07;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317980;MM317980;C=CC(=C)CCC(F)C#N;GSXUAJDITSZZAZ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317981;MM317981;C#CC(=O)NCCC(=O)O;LGJGVQDDQJPRJF-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317982;MM317982;C=C(C#N)CCC(F)C=O;YGIJRKZGRKYQME-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317983;MM317983;Cc1cn(N)c(C)nc1=N;VEHHWAHVJZTEJS-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317984;MM317984;C=C(C#N)CCC(F)C#N;CARCAWFXLMPEFZ-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317985;MM317985;Cc1cn(N)c(C)nc1=O;QWWXQUSZPIDPSY-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317986;MM317986;C=CC(F)CCC(=O)C#N;SQOXQCQVBGHERO-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317987;MM317987;Cc1nc(=N)c(N)cn1N;OLGLOVHRDWFGOM-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317988;MM317988;C=CC(=O)CCC(F)C#N;FTIZHOMNSCVWSK-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317989;MM317989;CC1CC1(CO)CCCO;UVSNUDJWTDSWGG-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317990;MM317990;C=CC(=N)NCC(C)C#N;SQOFUDPUOALLHB-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317991;MM317991;Cc1nc(=O)c(O)cn1N;FTSNGJZKORDITM-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317992;MM317992;C=CC(C)(C)C=CC(C)O;VKGAWHFXJGUTBG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317993;MM317993;Cc1nc(=O)c(F)cn1N;WYVXBTKOIAIYRG-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317994;MM317994;C=CC(C)CNC(=O)C=O;ZVUUPQQIBPYOCS-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317995;MM317995;Cc1cn(N)c(N)nc1=N;LUCSPKROBQLQLA-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317996;MM317996;CC(C=O)CNC(=O)C=O;OJUVHZCYKKTFQA-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317997;MM317997;CCC(CC)C(C)NC=O;UPGHCMPAMZAQEY-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317998;MM317998;CC(C=O)CNC(=O)C#N;ZVGALOXDXWUSGF-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM317999;MM317999;CC(C#N)CNC(=O)C=O;WWSKRTYXCFOFKA-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318000;MM318000;N=c1nc(N)n(N)cc1N;HMFKBASJDWSBGA-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318001;MM318001;C=CC(=N)NCC(N)C=C;VVFOGXOFEFEVLM-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318002;MM318002;N#CC12CC1C(C=O)CN2;RBOZIKWFUOWHDR-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318003;MM318003;C=CC(=O)NCC(N)C=C;ZJBMNXMMOWVAHA-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318004;MM318004;Nc1nc(=O)c(O)cn1N;NZXLPHVRBULMOS-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318005;MM318005;CC(O)C=CC(C)(C)C=O;WYERWLNIRXGICL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318006;MM318006;N=c1nc(N)n(N)cc1F;FLRPNENSEINTSL-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318007;MM318007;C=CC(=N)NCC(O)C#N;ZGTMASWNOQZECY-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318008;MM318008;N#CC(=O)CN1CC1;WQKQPPAIDGHELR-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318009;MM318009;CC(C)C(C)(C)CNC=O;HNPZVIHJNGPEEP-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318010;MM318010;C=C(OCC(=O)O)C(N)=O;YCVVZDBWNAVXKJ-UHFFFAOYSA-N;145.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318011;MM318011;C=C(C#CC)C=CC(C)O;YNTAKMLAOWUPFV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318012;MM318012;CC(O)C(=O)NOC=NO;OOTHYDSXRSNBIH-UHFFFAOYSA-N;148.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318013;MM318013;C=CC(O)CNC(=O)C=O;TXSNSGLLTYIREE-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318014;MM318014;C#CC(O)(C#N)C=NO;AEIJGLIWZSQDTR-UHFFFAOYSA-N;124.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318015;MM318015;C=CC(=O)NCC(O)C#N;GNWXUMAOZTUSAG-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318016;MM318016;NN=COC(=O)CC(=O)O;RDHSVJPBBKSION-UHFFFAOYSA-N;146.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318017;MM318017;C=CC(=N)NCC(F)C=C;HQGDFYDCYXXUMU-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318018;MM318018;Nc1n[nH]n(N)c(=O)c1=O;DCTLSGWIRZTBGL-UHFFFAOYSA-N;143.11;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318019;MM318019;C=CC(=N)NCC(F)C=O;PMWXCPQWTYNMFI-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318020;MM318020;CC(C)c1n[nH]c(O)n1;FXRNGWMBBYYQKS-UHFFFAOYSA-N;127.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318021;MM318021;C=C(C)C(=C)C(C)C(N)=O;WAWMTXFWJJIJBL-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318022;MM318022;C=CC(=O)NCC(F)C#N;NBZHZIMVUCZXIO-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318023;MM318023;Cc1cn(O)c(C)nc1=N;WFIUYEDHQVCYDC-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318024;MM318024;C=CC(C)COC(=C)C=O;DAJUCPITBQLSDW-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318025;MM318025;Cc1cn(O)c(C)nc1=O;XBBNOHGJUGDRSJ-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318026;MM318026;C=CC(C)COC(=C)C#N;UROHNMBEAXLQDV-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318027;MM318027;Cc1nc(=N)c(N)cn1O;ZXLZLACALBYOBC-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318028;MM318028;C=CC(=C)OCC(C)C=O;RVJZATQTFZBDKY-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318029;MM318029;Cc1nc(=O)c(N)cn1O;XVRXGINLYVDKIG-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318030;MM318030;C=CC(=C)OCC(C)C#N;OOSAEOIGGPOLFR-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318031;MM318031;CC1C(CC=O)N1C;IDWXGKLDSNPCIX-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318032;MM318032;C=C(C=O)OCC(C)C#N;XYWJZBLPZHUVPY-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318033;MM318033;Cc1nc(=O)c(F)cn1O;PLVBXXKBGIXUQX-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318034;MM318034;C=C(C#N)OCC(C)C#N;ZUQBILLKHGNUGL-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318035;MM318035;Cc1cn(O)c(N)nc1=N;OKNSJWOUXDLJLH-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318036;MM318036;C=CC(C)COC(=O)C#N;KIYAJMFOUDJKCA-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318037;MM318037;CC1C(C(N)=O)C1(C)C;ZMUHBHJKBHVRMI-UHFFFAOYSA-N;127.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318038;MM318038;C=CC(=O)OCC(C)C=O;IHWUWOILEXGOEN-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318039;MM318039;Nc1nc(=O)c(O)cn1O;ZSIOGSYXEFICIB-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318040;MM318040;C=CC(=O)OCC(C)C#N;OMPKRANXQGIMCT-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318041;MM318041;Cc1c[nH]nnc(=O)c1=N;BTBFRYGIELPKSV-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318042;MM318042;CC(C#N)COC(=O)C#N;GCLQYHWSZNQQBN-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318043;MM318043;CCOC=NOCC(=O)O;JOYNZJZTMIAJOJ-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318044;MM318044;C=CC(=C)OCC(N)C=C;GFNZMAPNGFXLJE-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318045;MM318045;CNn1nc(O)n(N)c1=O;CAZFYLMUNMNFJU-UHFFFAOYSA-N;145.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318046;MM318046;C=CC(=O)OCC(N)C=C;KSFWQWJTSJDYOR-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318047;MM318047;N=CN=c1[nH]oc(=O)o1;AXDTWFYADYASQT-UHFFFAOYSA-N;129.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318048;MM318048;C=CC(O)COC(=C)C#N;NNEDAVNSUFWORU-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318049;MM318049;CON=CCC(F)C(=O)O;KKLLGXFGVYYSBK-UHFFFAOYSA-N;149.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318050;MM318050;CCNNC(=O)CC(=O)O;VEQLENXIJLREFK-UHFFFAOYSA-N;146.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318051;MM318051;C=CC(=C)OCC(O)C=O;YDVLPZNVUVRFTD-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318052;MM318052;CC(=CNC(C)C)C(=O)O;OFDPSBDWDOHYJU-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318053;MM318053;C=C(C#N)OCC(O)C=O;DBDFGQZMRNIFOI-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318054;MM318054;Cn1nc(F)c(=O)nc1N;RZFBLFRKSNKKEC-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318055;MM318055;C=C(C=O)OCC(O)C#N;UWBBYPJKKNMTPB-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318056;MM318056;CC(N=CN(C)O)C(=O)O;LUTKCOVMTCXRDU-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318057;MM318057;C=C(C#N)OCC(O)C#N;ZXRYYSBVQBTVIO-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318058;MM318058;Cc1nnc(=N)[nH]c(=O)n1;GOBVBNWKWSPSJC-UHFFFAOYSA-N;139.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318059;MM318059;C=CC(O)COC(=O)C=O;ACZDRTYUUFKYGR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318060;MM318060;Cc1nnc(=O)[nH]c(=N)n1;BGIFEEVTKRFKNP-UHFFFAOYSA-N;139.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318061;MM318061;C=CC(=O)OCC(O)C=O;ZEYYPMTVGVRBEQ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318062;MM318062;CONC(=O)CC(=O)O;HUBHZWBARSCOFF-UHFFFAOYSA-N;133.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318063;MM318063;C=CC(=O)OCC(O)C#N;KTKWNJRBVJBFQH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318064;MM318064;N#CC(=O)OCC(O)C#N;OMWSTCUNVMNPTL-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318065;MM318065;C=c1cc(F)c(=C)cc1C;YHOCBLOUSHSECK-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318066;MM318066;C=CC(=C)OCC(F)C=C;ZEYGRJDPXKKTPS-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318067;MM318067;CC1=C(C)CC(N)C(N)C1;FTRGAAHGFQLDAP-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318068;MM318068;C=C1OC(C)=C(C)CC1C;RAUCMIYLTOPDLX-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318069;MM318069;C=CC(F)COC(=C)C=O;PJWMKYGOYJIJAM-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318070;MM318070;CC1=C(C)OC(=O)C(C)C1;MDLLLXCQQLSYBX-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318071;MM318071;C=CC(F)COC(=C)C#N;SBEGRYLGOCACDK-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318072;MM318072;C=C1OC(C)=C(C)CC1N;MJQUDJKQYJTEQR-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318073;MM318073;C=CC(=C)OCC(F)C=O;IWVBNQDGPWTHEY-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318074;MM318074;C=C1OC(C)=C(F)CC1N;XNVFXGHQOTWZFN-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318075;MM318075;C=C(C#N)OCC(F)C#N;DILTVNLKQIHLOU-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318076;MM318076;C=C1OC(C)=C(C)OC1C;BVMSVCBJEQXEPK-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318077;MM318077;N#CC(=O)OCC(F)C#N;FJPLXJQLXSFCMI-UHFFFAOYSA-N;142.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318078;MM318078;CC1=C(C)OC(C)C(=O)O1;LQLSOTXECJLOEY-UHFFFAOYSA-N;142.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318079;MM318079;C=CC(=C)CNC(C)C=C;GULOHEDNMLXMAX-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318080;MM318080;CC1=C(C)CN(C)C(=N)C1;BLTXCRQWOBWBGJ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318081;MM318081;C=CC(C)NCC(=C)C=O;LXWLZPNOSGMVFT-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318082;MM318082;CC1=C(F)CC(=N)N(C)C1;OOVXBMNSQUHPCM-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318083;MM318083;C=C(C=O)CNC(C)C#N;UFMABRYJDJODAF-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318084;MM318084;CC1=C(F)CN(C)C(=N)C1;SXSQHQMXRLKLAQ-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318085;MM318085;C=C(C#N)C(C)=CC(C)O;UCQMORMIDUEEDW-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318086;MM318086;CC1=C(C)CN(C)C(=O)C1;KIGFPMXRAQUNSV-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318087;MM318087;C#CC(=CC(C)O)CCF;FDGIFPSROSTTLP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318088;MM318088;CC1=C(F)CC(=O)N(C)C1;MMIFBWLVBKOPMH-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318089;MM318089;C=C(C)C=C(C=CC)CO;ASJMROBAWZNWTJ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318090;MM318090;CC1=C(F)CN(C)C(=O)C1;PODASEXLAYOMNT-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318091;MM318091;C=CC(=N)NNC(C)C=C;GWKGBNUALBUVIV-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318092;MM318092;CC1=C(C)CN(N)C(=N)C1;JDGBKPXRUROLMD-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318093;MM318093;C=CC(CC(=C)C)C(N)=O;GGIAUTYNJTXVQE-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318094;MM318094;CC1=C(F)CC(=N)N(N)C1;MPVXATKYIOXXTD-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318095;MM318095;C=CC(=N)NNC(C)C#N;JPHZWCPCBGNEBM-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318096;MM318096;CC1=C(F)CN(N)C(=N)C1;LQPGSFJTBSNUBL-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318097;MM318097;C=C(CO)C1CC(C)(C)C1;HFTOMWQTWNDTGA-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318098;MM318098;CC1=C(C)CN(N)C(=O)C1;DMAXMZISAGRVPR-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318099;MM318099;CCC1(C)CC1C(N)=O;GTSKVWYFRKYSOD-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318100;MM318100;C=C(CO)C1CC(C)(O)C1;CAJGCSCBTXMCON-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318101;MM318101;CNC(C)=C(C)C(N)=O;QHADJCVEAFUAAY-UHFFFAOYSA-N;128.18;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318102;MM318102;C=CC(C)NNC(=O)C=O;SJHNVRMVMFXTOX-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318103;MM318103;C=C1CC(C)=C(C)CC1=C;SEFURUBRRZWUTJ-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318104;MM318104;C=CC(=C)COC(C)C=C;ROYDOTGVPOGSKB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318105;MM318105;C=C1CC(C)=C(F)CC1=C;SBVYUSOVGOVUEZ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318106;MM318106;C=CC(C)OCC(=C)C=O;NDJOUJYSCXFRTL-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318107;MM318107;C=C1CC(C)=C(C)CC1=O;UNMGIZCBDQTMPC-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318108;MM318108;C=CC(C)OCC(=C)C#N;OFXQQRWCENDWLA-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318109;MM318109;C=C1CC(C)=C(F)CC1=O;PUKSVTILNBHDBT-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318110;MM318110;C=CC(=C)COC(C)C#N;OWROXJPHAPJHQQ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318111;MM318111;C=C1CC(F)=C(C)CC1=O;DPWBNGLIGRFWHV-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318112;MM318112;C=CC(=O)COC(C)C=C;DIYBWHCNXNVATN-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318113;MM318113;C=C1CC(C)=C(C)OC1=C;QRHITSRSPNJCNR-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318114;MM318114;CC(C=O)OCC(=O)C#N;OOYMBJMNSHLTNL-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318115;MM318115;C=C1CC(F)=C(C)OC1=C;QDMUGFBHUAUBJF-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318116;MM318116;CC(C#N)OCC(=O)C#N;IHLMCPPCRHZSKS-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318117;MM318117;C=C1CC(C)=C(C)OC1=O;FAHLNCVTEJBJAB-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318118;MM318118;C=CC(C)ON=C(N)C=O;QJALVDISKWAARE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318119;MM318119;C=C1OC(C)=C(C)CC1=O;INBLCAPTKGSSMC-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318120;MM318120;C=C(CO)C1CC(C)(F)C1;NENIRZZMACQHNL-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318121;MM318121;Nc1nc(F)c(=O)[nH]c1N;NYFGSKRRRINCIR-UHFFFAOYSA-N;144.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318122;MM318122;C=CC(=N)N=C(N)C(=O)O;SFNLFQKLXZDLCX-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318123;MM318123;CC#CC(=O)C(C#N)=NO;LCRVJEKWELQBAF-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318124;MM318124;C=CC(=C)CCN(C)C=N;MQBLYCQXHDWMTR-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318125;MM318125;O=CC(O)(C=O)CC(=O)O;PXDCOGZVDANFRC-UHFFFAOYSA-N;146.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318126;MM318126;C=C(C=O)CCN(C)C=N;XXLQELKAHKFTJL-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318127;MM318127;O=C(O)COCCC(F)F;JDMJDPHKEXZHRS-UHFFFAOYSA-N;154.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318128;MM318128;C=C(C#N)CCN(C)C=N;UQKCBAXLKMLOGU-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318129;MM318129;C=C1OC(C)=C(C)NC1=N;ZBDVTJCUUVKNOA-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318130;MM318130;C=C(C=O)CCN(C)C=O;ITEIZPUVPZNKPP-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318131;MM318131;OCc1nc(F)c(O)o1;PUZZGJFOSXSPHW-UHFFFAOYSA-N;133.08;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318132;MM318132;C=C(C#N)CCN(C)C=O;AEWZQZMYNJSFET-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318133;MM318133;C=C1OC(C)=C(C)OC1=C;MALPLRXYVDVZJE-UHFFFAOYSA-N;138.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318134;MM318134;C=CC(=O)CCN(C)C=N;VECQUKSEGSLMIG-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318135;MM318135;C=C1OC(C)=C(C)OC1=O;GVZVSXUOCXBILR-UHFFFAOYSA-N;140.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318136;MM318136;C=CC(=O)CCN(C)C=O;MLDSYBGPMHRWHU-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318137;MM318137;Cc1oc(=O)c(=O)oc1C;BKOUFBJSJQODBH-UHFFFAOYSA-N;142.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318138;MM318138;CC(O)CC#CCOC=O;LSJNZMIQGDWDNX-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318139;MM318139;Cc1oc(=O)c(=O)oc1N;RRIHISSKMYIJID-UHFFFAOYSA-N;143.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318140;MM318140;C=CC(=C)CCN(N)C=N;RPWUJJNKYGVNGR-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318141;MM318141;Oc1nocc1F;FDZLBFLLLYVOEY-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318142;MM318142;C=CC(=C)CCN(N)C=O;ZFUHYVDHRLPAHR-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318143;MM318143;Cc1oc(=O)c(=O)oc1F;DZBFILDDKAZHQC-UHFFFAOYSA-N;146.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318144;MM318144;C=CC(=C)CCN(O)C=N;SVWBWOCUNCKCIK-UHFFFAOYSA-N;140.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318145;MM318145;Nc1oc(=O)c(=O)oc1N;JUQTZDJCGDANMK-UHFFFAOYSA-N;144.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318146;MM318146;C=C(C=O)CCN(O)C=N;MOIYCBUXYQSEPL-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318147;MM318147;Cc1onc(F)c1O;JIQKHLBEARIWEP-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318148;MM318148;C=C(C#N)CCN(O)C=N;UWICXAMYDDNALN-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318149;MM318149;Nc1oc(=O)c(=O)oc1F;PORPTTLAYYDKJU-UHFFFAOYSA-N;147.06;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318150;MM318150;C=CC(=C)CCN(O)C=O;NHUJKEAGALZTPK-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318151;MM318151;C=Cc1onc(C#N)c1O;RKXYDLOAHLAPJB-UHFFFAOYSA-N;136.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318152;MM318152;C=CC(=O)CCN(O)C=N;YGBDVNYAUMWIFL-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318153;MM318153;Cn1c(O)nn(N)c1=O;KCHUFECPIPBGPY-UHFFFAOYSA-N;130.11;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318154;MM318154;N=CN(O)CCC(=O)C=O;CSKIDASSXKTUPJ-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318155;MM318155;O=c1oc(F)c(F)oc1=O;ZVRLTSYSFVMHGQ-UHFFFAOYSA-N;150.04;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318156;MM318156;N#CC(=O)CCN(O)C=N;CWQYYEHPEYPRSB-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318157;MM318157;COCC(NC=O)C(=O)O;UQESLRVGMKQJQG-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318158;MM318158;N#CC(=O)CCN(O)C=O;XTCWZQJEBQQVAN-UHFFFAOYSA-N;142.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318159;MM318159;Cc1[nH]c(=O)c(F)nc1N;ILRRCGBADYQPMN-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318160;MM318160;C=CC(=C)CCN(C)N=C;YKWWNADWAJRQEW-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318161;MM318161;Cc1nc(F)c(=O)[nH]c1N;ABBCYKVTQLVZRC-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318162;MM318162;C=NN(C)CCC(=C)C#N;WLOKBUGQCXSRFB-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318163;MM318163;Cc1cc(F)c(F)cc1C;DDEXEXKNWFMJMX-UHFFFAOYSA-N;142.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318164;MM318164;CON=CNN=CC(C)=O;AECQHEZWOIMHHQ-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318165;MM318165;Cc1cc(F)c(F)cc1N;HKAMTWLPOCYTMX-UHFFFAOYSA-N;143.14;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318166;MM318166;C=CC(=CC)C(C)C(N)=O;BUOFRAAHCXXWAN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318167;MM318167;C#CC#CCC(O)C(=C)C;JQKJWZYIFFMXIP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318168;MM318168;Nc1cc(F)c(F)cc1N;PPWRHKISAQTCCG-UHFFFAOYSA-N;144.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318169;MM318169;C=C(C=O)CNN(C)C=N;QWLFNWXKRPZISO-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318170;MM318170;CC1=C(C)CC(C)=C(C)C1;GACALPFXAWHEBC-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318171;MM318171;C=C(C#N)CNN(C)C=N;UFZVYPXTMJDDOU-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318172;MM318172;CC1=C(C)CC(F)=C(C)C1;LEEKQXKAVFSVSP-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318173;MM318173;C=C(C=O)CNN(C)C=O;NJRPXCAQKILJNX-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318174;MM318174;CC1=C(F)CC(C)=C(F)C1;BGOHUMCKVJZIKB-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318175;MM318175;C=CC(=C)CON(C)C=O;HGIMKJBNUTZXGW-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318176;MM318176;CC1=C(C)OC(C)=C(C)C1;IBJNSOFFJRXNCC-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318177;MM318177;C=C(C#N)CON(C)C=O;MNQRJERDIVFJNH-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318178;MM318178;CC1=C(C)OC(C)=C(F)C1;ZQMBWVVMISMJLR-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318179;MM318179;CN(C=O)OCC(=O)C#N;CTCOEUNYFUEDKZ-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318180;MM318180;CC1=C(C)OC(C)=C(C)O1;HXRQLXULIBTSPF-UHFFFAOYSA-N;140.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318181;MM318181;C#CC(=C)CCC(C)C=C;MOSDOZXZOAGYGG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318182;MM318182;NCC=C1CC2(O)CC1C2;JBJUZKMNJNNNTM-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318183;MM318183;C#CC(=C)CCC(C)C=O;CNHOCZDHSRJUEZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318184;MM318184;CC(C)C(=CN)C(N)=O;HSOZPNOVIALCDY-UHFFFAOYSA-N;128.18;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318185;MM318185;C#CC(=O)CCC(C)C=C;YUTVMEGPPNJTIL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318186;MM318186;O=CC=C1CC2(F)CC1C2;KHXNOKOAGOZLIC-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318187;MM318187;C#CC(=O)CCC(C)C=O;IKYIJMJNFKVTKY-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318188;MM318188;N#CC=C1CC2(F)CC1C2;YPBDULRWMMRUCK-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318189;MM318189;C#CC(=O)CCC(C)C#N;ABJHIRKHLBWSTH-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318190;MM318190;C=CC=C1OC2(C)CC1C2;VISURJVQIOHUPD-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318191;MM318191;C=C(C=CC)C(C)C(N)=O;NUQOEHAZXMLVJQ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318192;MM318192;CC12CC(C1)C(=CC#N)O2;CWKCJDTXHCCQLV-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318193;MM318193;C#CC(=C)CCC(O)C=O;PXJKQPAAODKZHN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318194;MM318194;NN=C1COC(=NN)O1;UKHXNHCISIWEJR-UHFFFAOYSA-N;130.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318195;MM318195;C#CC(=C)CCC(O)C#N;FKVIFSCTBOYCCQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318196;MM318196;C#CC=C1CC2(F)CC1C2;WMTWRYHLUFOEEZ-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318197;MM318197;C#CC(=O)CCC(O)C=O;ZEAMCLXGQVCDAF-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318198;MM318198;C#CC=C1OC2(C)CC1C2;OMMJBRQRIGBDPD-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318199;MM318199;C#CC(=O)CCC(O)C#N;CUDZCLNPFVEMAO-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318200;MM318200;C#CC(=C)CCC(F)C=C;LXXCJTOELINXDN-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318201;MM318201;CCCC1=CC2(C)CC1C2;NYHHVFBYIXTVNN-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318202;MM318202;CCCC1=CC2(N)CC1C2;UVHPSZXEBBGRDL-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318203;MM318203;C#CC(=C)CCC(F)C=O;VATHXULKKQOZNL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318204;MM318204;C#CC(=C)CCC(F)C#N;SJQJBHOBKGNHAM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318205;MM318205;NCCC1=CC2(N)CC1C2;IDVHQBXWHJRADF-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318206;MM318206;C#CC(=N)NCC(C)C#N;WYTSHWPTNGMMGR-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318207;MM318207;CCC1=NNC(C=O)C1;CSWBECQKKKXJEX-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318208;MM318208;C#CC(=O)NCC(C)C=O;IQOWCRXSNJXXEJ-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318209;MM318209;CCCC1=CC2(F)CC1C2;LCJGAZXKYQJOHL-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318210;MM318210;C#CC(=N)NCC(N)C=C;XTZOFTGRJANENG-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318211;MM318211;C=CCC1=CC2(C)CC1C2;QQCDTCFTWFDIMZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318212;MM318212;C#CC(=O)NCC(N)C=C;NFDDEKSHEPKOHA-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318213;MM318213;CC12C=C(CC#N)C(C1)C2;LDGRLBVSCPPRNZ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318214;MM318214;C#CC(=N)NCC(O)C=C;DBDBPDCNZRDFKI-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318215;MM318215;C=CCC1=CC2(N)CC1C2;WBKJLOLTKVXZIY-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318216;MM318216;C#CC(N)=NCC(O)C=O;YNCQZCHOGOEUIC-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318217;MM318217;O=CN=CN1CC1C=O;NOGMTLYBPGKWOA-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318218;MM318218;C#CC(=N)NCC(O)C#N;KLWWSYBBGHCKNF-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318219;MM318219;CC(CC(C)(C)C)NC=O;ONPLVQNNTURRCJ-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318220;MM318220;C#CC(=O)NCC(O)C#N;AHFTYTXMTACZBJ-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318221;MM318221;C=CCC1=CC2(F)CC1C2;YEBAVFDVHBJEJM-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318222;MM318222;C#CC(=O)NCC(F)C#N;QGZFTSLSGYDORH-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318223;MM318223;N#CCC1=CC2(F)CC1C2;PZVDTSRMHBLRRF-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318224;MM318224;C#CC(=C)OCC(C)C=C;UDLYFJCQWHNFHN-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318225;MM318225;C#CC(=C)OCC(C)C=O;YNKMDRDUAFGEHW-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318226;MM318226;CC12C=C(NC=N)C(C1)C2;MDBZKVDKEJDUNR-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318227;MM318227;N=CNC1=CC2(O)CC1C2;WTNYNKPQWYKSAN-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318228;MM318228;C#CC(=C)OCC(C)C#N;NCFHALRDILTAEM-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318229;MM318229;C=COC1=CC2(C)CC1C2;QMDWZQFDTJDVRG-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318230;MM318230;C#CC(=O)OCC(C)C=C;FLMMBJVQOFCSRZ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318231;MM318231;C=COC1=CC2(N)CC1C2;OTEXWGWGCIDESC-UHFFFAOYSA-N;137.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318232;MM318232;C#CC(=C)OCC(O)C=O;KNEAAMTZGXGHCK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318233;MM318233;C=CCC1=CC2(C)CC1N2;KQBRUDVZYUXUFL-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318234;MM318234;C#CC(=O)OCC(O)C=O;OGUSXQFGFOLBGC-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318235;MM318235;C#CC(=C)OCC(F)C=C;CUVKPWUWXODNLJ-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318236;MM318236;CC12C=C(NC=N)C(C1)N2;RKFITHINNAVBLY-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318237;MM318237;C#CC(=C)OCC(F)C#N;HEPYUWJZLVYKPJ-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318238;MM318238;C=CCC1=CC2(C)CC1O2;RDLYWGXRDIWRSR-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318239;MM318239;C#CC(=O)OCC(F)C=C;DCYZUBLTQLPOID-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318240;MM318240;C#CCC1=CC2(C)CC1C2;JUOGFDYPTKFZQJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318241;MM318241;C#CC(=O)OCC(F)C=O;AVCZKQIJEJVOHK-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318242;MM318242;C#CCC1=CC2(N)CC1C2;VBUIPZLRQLNEDQ-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318243;MM318243;C#CC(=C)CNC(C)C#N;BJMBBNFCEACJJV-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318244;MM318244;C=C(C)C(C)(C)CNC=O;GWSGBLHQGXJVDY-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318245;MM318245;C=CCC(C=CC)C(N)=O;UFICFWXLOSZAHY-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318246;MM318246;C#CCC1=CC2(F)CC1C2;WXGQXFJRLFMVKV-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318247;MM318247;C=CCC(C(=C)C)C(N)=O;JDJNVVUCERAFSB-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318248;MM318248;C#CCC1=CC2(C)CC1N2;ZTPJESOVMOFPLR-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318249;MM318249;C#CC(=N)NNC(C)C=C;DVPXLNQDSABWGJ-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318250;MM318250;C#CCC1=CC2(C)CC1O2;KEDCIOBQNUFMLX-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318251;MM318251;C#CC(=N)NNC(C)C#N;HNTZFHONXYWTNI-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318252;MM318252;CCC(C)(CC)CNC=O;JQYSJMXOKIGFFW-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318253;MM318253;CC=CC1=CC2(N)CC1C2;LYBKFWIZIPICIY-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318254;MM318254;C#CC(=O)NNC(C)C#N;SWWCDLVQVMCMIC-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318255;MM318255;CC=CC1=CC2(C)CC1N2;RVLUXMVCANSSIM-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318256;MM318256;C#CC(=C)COC(C)C=C;UZLCLSOPNYRYDA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318257;MM318257;CC#CC1=CC2(C)CC1C2;HLPXFQMPDNKDSX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318258;MM318258;C#CC(=C)COC(C)C#N;PCGIKXKEILXBSK-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318259;MM318259;CC#CC1=CC2(N)CC1C2;RPCIYYUYAWSYGK-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318260;MM318260;C#CC(=O)COC(C)C=C;MDJSKLPJSSZJBK-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318261;MM318261;CC(C)CCC(C)NC=O;CPXDHJLSZICHOQ-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318262;MM318262;C#CC(=C)CCN(C)C=O;KMOASCNXACUFGW-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318263;MM318263;CC#CC1=CC2(F)CC1C2;ILUGOKGUGAXCIR-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318264;MM318264;C#CC(=O)CCN(C)C=N;VBISKYSYGYFWKG-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318265;MM318265;C=C1CC(C)C2CC1(N)C2;ZVSQKMRLCPQMIR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318266;MM318266;C=CC(C)=CC(=CC)CO;IYLMNNGFTVIKPU-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318267;MM318267;C#CC(=C)CCN(N)C=N;HXOMUYFOMJVECU-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318268;MM318268;C=C1CC(C)C2CC1(F)C2;POMAVYGFOPQXLY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318269;MM318269;C#CC(=C)CCN(N)C=O;ZRYDGYGATOOSLY-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318270;MM318270;C=C1CC(F)C2CC1(F)C2;PXCHGPMBMZEHSU-UHFFFAOYSA-N;144.16;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318271;MM318271;C#CC(=C)CCN(O)C=N;QQVFEOPDJYKHTR-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318272;MM318272;C=C1CC(=C)C2(F)CC1C2;KAHVAKJQHIGRQN-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318273;MM318273;C#CC(=O)CCN(O)C=O;AZONWAANONVGQN-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318274;MM318274;C=C1CC(=O)C2CC1(F)C2;IEAPFVPEJXEAAB-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318275;MM318275;C#CC(=C)CCN(C)N=C;GORZDWWHDGMKPE-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318276;MM318276;CC12CC(C1)C(=N)NC2=N;HTCMPARHSSAZDH-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318277;MM318277;C#CC(=C)CNN(C)C=O;AYKGNSUCZVJWAT-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318278;MM318278;C=C1NC(=N)C2CC1(F)C2;VVMYOPQBABZIDP-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318279;MM318279;C=CC(=CC(C)C=C)CO;HHNHHUTYHCENHZ-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318280;MM318280;CC1=NN(C)C2(C)CC1C2;OEIHIZLDQDJLMA-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318281;MM318281;C#CC(=C)CON(C)C=N;ILTFATGMDLZVLH-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318282;MM318282;C=C(CO)C1CC1(C)CO;AEXVLRGHDCWSHQ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318283;MM318283;C#CC(=O)CON(C)C=N;NPYBIWNLPZHQHR-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318284;MM318284;C=C1C=C(F)C2CC1(F)C2;HUZFMGKSPJNXSZ-UHFFFAOYSA-N;142.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318285;MM318285;C#CC(C)CCC(=C)CC;UUSXNRNDPZBFPW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318286;MM318286;CC1=NN(C)C2CC1(F)C2;SNOZWMANCYZBCH-UHFFFAOYSA-N;142.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318287;MM318287;C#CC(C)CCC(=C)CN;QCJQNAYLUQMKBZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318288;MM318288;CC(=NN)C(F)C(C)=NN;YUKDEBYGTGAOFU-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318289;MM318289;C#CC(C)CCC(=C)CO;LOLNKIJJGKEUFC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318290;MM318290;CC1CC2(C)C(O)C2C1N;VWXFCRXCFPCNJI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318291;MM318291;C#CC(C)CCC(=C)CF;IYESQAGESIDMCA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318292;MM318292;CC1C(O)CC2(C)C(F)C12;CHGXGIQWTJDEDB-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318293;MM318293;C#CC(C)CCC(=O)CC;GUYFGKXGMBQJGJ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318294;MM318294;CC1C2C(N)C(N)CC12N;CIEGLOZRNPXEEY-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318295;MM318295;C#CC(N)CCC(=C)CC;MBBHDVGPICLDDR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318296;MM318296;NC1CC2(N)C(N)C2C1N;NLWQMZPQDCDOGK-UHFFFAOYSA-N;142.21;-2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318297;MM318297;C#CC(N)CCC(=C)CN;QGGRXCZYCLNBCK-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318298;MM318298;CC1CC2(N)C(O)C2C1C;SHODASCCVOLZRK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318299;MM318299;C#CC(O)CCC(=C)CC;IUVQTPPMRUEFNR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318300;MM318300;NC1CC2(N)C(O)C2C1O;MKGOMNMUJSXORU-UHFFFAOYSA-N;144.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318301;MM318301;C#CC(O)CCC(=O)CO;MFTGGCUOSSRAEZ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318302;MM318302;C=CNC(CF)=NCC=O;JRKDBOTXGBRITL-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318303;MM318303;C#CC(F)CCC(=C)CC;XOXQBPBGLFJRRE-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318304;MM318304;CC1C(N)CC2(O)C(C)C12;DJKCWBULYNRHME-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318305;MM318305;C#CC(F)CCC(=C)CN;WTXFHYUITJTDRM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318306;MM318306;CC1CC2(O)C(C)C2C1N;QICPISOJMRTAJB-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318307;MM318307;C#CC(F)CCC(=O)CC;XHFDEXFJRAKWFM-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318308;MM318308;CC1CC2(O)C(C)C2C1O;TVDKUBGGUCVKJI-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318309;MM318309;C#CC(C)CCC(=N)NC;YTSGYUHRYQKQDH-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318310;MM318310;CC1CC2(O)C(C)C2C1F;NGTBULHWUQTLQC-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318311;MM318311;C=CC(=CC(C)C=O)CO;FLBYQUIVRXAMRM-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318312;MM318312;CC1C2C(F)C(N)CC12O;LQLMJVRXPFGVQD-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318313;MM318313;CCC(F)C(=O)N(C)NC;WUSSQLSGDOEXDJ-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318314;MM318314;CC1CC2(O)C(N)C2C1N;NNTGHQIILCTYSP-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318315;MM318315;C#CC(C)CCC(=O)NO;JAYVEJRNFYYRSS-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318316;MM318316;CC1CC2(F)C(C)C2C1C;HMBVXRQQWXBZFL-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318317;MM318317;C#CC(N)CCC(=N)NC;ZBKGXUCCHCUCFT-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318318;MM318318;CC1CC2(F)C(C)C2C1N;YOBIJUDTRNYPOD-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318319;MM318319;C#CC(N)CCC(=N)NO;XKOMZSFMUWSSJB-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318320;MM318320;CC1CC2(F)C(N)C2C1C;VHJKXBJSTCHKLT-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318321;MM318321;C#CC(O)CCC(=N)NC;HTBYNZHHOQELCP-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318322;MM318322;NC1CC2(F)C(N)C2C1F;CQYWRIGNLGYUBG-UHFFFAOYSA-N;148.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318323;MM318323;C#CC(F)CCC(=O)NC;XAXLUIVPZRXEJP-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318324;MM318324;CC1CC2(C)C(C)C2N1C;BXYIJGPXLZOMNF-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318325;MM318325;C#CC(F)CCC(=O)NO;JGXCSEPYOZGORM-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318326;MM318326;CC1CC2(O)C(C)C2N1C;FZGFVIXGIJLYCO-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318327;MM318327;C#CC(C)CCC(=C)OC;FPLLNSBZZLAZBA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318328;MM318328;CC1CC2(O)C(O)C2N1C;MLALJFQUBKRJIG-UHFFFAOYSA-N;143.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318329;MM318329;C#CC(N)CCC(=C)OC;RIUOUEYHJYRKPS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318330;MM318330;C=CC(C=O)N(C=N)N=C;DOGLLIWEHPVKBP-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318331;MM318331;C#CC(N)CCC(=O)OC;MLXROFZJOQKFLH-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318332;MM318332;CC1C(=O)CC2(C)C(C)C12;YIBBHWSDDGKMSB-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318333;MM318333;C#CC(O)CCC(=O)OC;OSDRMRSHBFQVJF-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318334;MM318334;C=C1CC2(N)C(C)C2C1C;CRBDUEIFSJTGAA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318335;MM318335;C#CC(F)CCC(=C)OC;LYIRTEVYXQOSJF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318336;MM318336;C=C1CC2(N)C(C)C2C1N;JSDARIWAJVHSOM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318337;MM318337;C#CC(C)CNC(=N)CC;UQZLRXRIQZIHBA-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318338;MM318338;C=C1CC2(O)C(C)C2C1N;DQHBNPAYFCCICX-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318339;MM318339;C#CC(C)CNC(=N)CN;RBXKDRKAWUFJRU-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318340;MM318340;C=C1CC2(F)C(C)C2C1O;RBIHIMWZWWZUGS-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318341;MM318341;C#CC(C)CNC(=N)CO;PIKCOABRAQZDIB-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318342;MM318342;C=C1CC2(F)C(N)C2C1C;GRXAHHRCERBZTE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318343;MM318343;C#CC(C)CNC(=O)CC;CQAIOVRYQCUZMP-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318344;MM318344;C=C1CC2(F)C(N)C2C1N;WNDMHYKHFVMJMC-UHFFFAOYSA-N;142.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318345;MM318345;C#CC(C)CNC(=O)CO;RUTIJULEKDVHIK-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318346;MM318346;CC1C2N(C)C(=N)CC12C;HVWSTMGHFPKUQM-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318347;MM318347;C#CC(N)CNC(=N)CC;STDCAIFCDDQXQQ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318348;MM318348;CC1C2N(C)C(=O)CC12C;ZGPVITHCBOVHMT-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318349;MM318349;C#CC(N)CNC(=N)CN;AGAODNBSXPYPED-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318350;MM318350;CC1C2N(N)C(=N)CC12C;LMGBVRBNMVLZNG-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318351;MM318351;C#CC(N)CNC(=N)CO;KRJITCPXYWFQFK-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318352;MM318352;CC1C2N(N)C(=O)CC12C;PKHSDVQYFSPEHV-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318353;MM318353;C#CC(O)CNC(=N)CN;MZESLFMWAZRWGU-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318354;MM318354;CC1C2N(O)C(=N)CC12C;FLCSKRIJJKOHMG-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318355;MM318355;C#CC(O)CNC(=N)CO;CQKHWFNVMJVTME-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318356;MM318356;CN1C(=O)CC2(C)C(N)C12;ABIXIHTZMOPUIV-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318357;MM318357;C#CC(O)CNC(=O)CC;RHQGOPVYGWCUOU-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318358;MM318358;CN1C(=N)CC2(C)C(O)C12;KUABPLRESDEOCK-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318359;MM318359;C#CC(O)CNC(=O)CF;HRIVABROLRHORA-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318360;MM318360;CN1C(=O)CC2(C)C(O)C12;MOTFZQVMFANCDN-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318361;MM318361;C#CC(F)CNC(=N)CC;MPGSRSPASOAMBV-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318362;MM318362;CCCC1=NNC(C=O)C1;QETDSQDXDKDWCB-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318363;MM318363;C#CC(F)CNC(=N)CN;PJZFNQIJCKAKQM-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318364;MM318364;CC1C2N(C)C(=N)CC12N;HDWMKZHZHIACJH-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318365;MM318365;C#CC(F)CNC(=N)CO;OBTIFBIQRVJCQR-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318366;MM318366;C#CC(F)CNC(=O)CF;WFQZEWWIZXXFDF-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318367;MM318367;CN1C(=O)CC2(N)C(N)C12;QFNBFMIMWAXQPL-UHFFFAOYSA-N;141.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318368;MM318368;C#CC(C)CNC(=N)NC;ZDXBGMDVXMMFRD-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318369;MM318369;CN1C(=O)CC2(N)C(O)C12;NWZCLSCLFFSTAB-UHFFFAOYSA-N;142.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318370;MM318370;C#CC(C)CNC(=N)NO;VQGKPPCETVSBAC-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318371;MM318371;CC1C2N(C)C(=N)CC12O;CPAZFHMYCGAUCG-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318372;MM318372;C=CC(C)C(=C)C(=C)CO;UKNNCLGYTTTYBD-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318373;MM318373;CC1C2N(C)C(=O)CC12O;WVWCVNAUBQQMJW-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318374;MM318374;C#CC(C)CNC(=O)NO;HURNRSDMWBTCDG-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318375;MM318375;CC1C2N(N)C(=N)CC12O;PGRYDCDTMSDNDQ-UHFFFAOYSA-N;141.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318376;MM318376;C#CC(N)CNC(=N)NC;WPQNNOFAIFYWJV-UHFFFAOYSA-N;140.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318377;MM318377;C=C1C=C(CO)C=C1CO;KXGJLHSOVQXSLJ-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318378;MM318378;C#CC(N)CNC(=N)NO;YJFZJSFKUXHLTO-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318379;MM318379;CN1C(=N)CC2(O)C(O)C12;ZLQFIFPTISFMKH-UHFFFAOYSA-N;142.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318380;MM318380;C#CC(O)CNC(=N)NN;LFNQCIVVOJWYHL-UHFFFAOYSA-N;142.16;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318381;MM318381;CN1C(=O)CC2(O)C(O)C12;XIEFEYPUVPOJKK-UHFFFAOYSA-N;143.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318382;MM318382;C#CC(O)CNC(=N)NO;MAZKNAAKFQXVNO-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318383;MM318383;CC=CC1NC1C(=O)C=O;OARUNLQGHZZQSJ-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318384;MM318384;C#CC(O)CNC(=O)NC;VMICJXPXZNGWDQ-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318385;MM318385;CC1C2N(C)C(=N)CC12F;SSJFIASCKUKQOI-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318386;MM318386;C=CC(C)=C(C)C(=C)CO;HTPLXQFBLPSMEZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318387;MM318387;CC1C2N(N)C(=N)CC12F;FZQJBNYDVZCEMJ-UHFFFAOYSA-N;143.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318388;MM318388;C#CC(O)CNC(=O)NO;PDDISJBGHQPVCZ-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318389;MM318389;C=C1C(C)CC2(C)C(C)C12;QSFVNDDUPGYNQT-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318390;MM318390;C#CC(F)CNC(=N)NC;NKEQJADDGDEWGG-UHFFFAOYSA-N;143.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318391;MM318391;C=C1C(N)CC2(C)C(C)C12;GJXSLQWUNNBJFG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318392;MM318392;C#CC(F)CNC(=N)NN;HFQLKNCRCSXURR-UHFFFAOYSA-N;144.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318393;MM318393;CCC(N)=CC(N)=O;JOFKANLYJDXUPH-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318394;MM318394;C#CC(F)CNC(=N)NO;DTJNZHQTYSMVEH-UHFFFAOYSA-N;145.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318395;MM318395;CC1C2C(=O)C(O)CC12C;LXTCPWGDWFNLIB-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318396;MM318396;C#CC(F)CNC(=O)NC;VIJYHTODXJOIND-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318397;MM318397;C=C1C(C)CC2(C)C(N)C12;RFRIILVOJGORPE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318398;MM318398;CNN=CC(C)CCCO;HJOJYBPCUBEXOA-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318399;MM318399;CC1CC2(C)C(O)C2C1=O;RSMJPFBWWCHLLJ-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318400;MM318400;C#CC(C)CNC(=O)OC;OYHSUPKUFRGQNV-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318401;MM318401;C=C1C(C)CC2(C)C(F)C12;XLCWSCLTSJAFOR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318402;MM318402;C#CC(N)CNC(=N)OC;XPJQJVIAQGMFNP-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318403;MM318403;CC1CC2(C)C(F)C2C1=O;QUEQDQASXFBWNS-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318404;MM318404;C#CC(O)CNC(=O)OC;LYISRCCMWWHLRK-UHFFFAOYSA-N;143.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318405;MM318405;C#CC(C)COC(=C)CC;XCOJKKXNBTYEAH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318406;MM318406;C=C1C(C)CC2(N)C(C)C12;QEWPUEXVARRUIC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318407;MM318407;C=C1C(N)CC2(N)C(C)C12;XSGLXAWJQMPEPD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318408;MM318408;C#CC(C)COC(=C)CO;DFWMBEOYOMWPRT-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318409;MM318409;C=C1C(C)CC2(N)C(N)C12;WOHKMLUBCLCREI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318410;MM318410;C#CC(C)COC(=O)CC;KFAIXZNIKBNNEA-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318411;MM318411;C=C1C(N)CC2(N)C(N)C12;XSDNYNQQVFQSGQ-UHFFFAOYSA-N;139.2;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318412;MM318412;C#CC(C)COC(=O)CF;GLAKJBXZMCKWPW-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318414;MM318414;C#CC(N)COC(=C)CC;VBVHUBNRPHRCQE-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318413;MM318413;C=C1C(C)CC2(N)C(O)C12;GCFBYABNUSWINA-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318415;MM318415;C#CC(O)COC(=C)CC;UKDPEXZXDUUHGP-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318416;MM318416;C=C1C(N)CC2(N)C(O)C12;WCQXJTICMDGQQG-UHFFFAOYSA-N;140.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318417;MM318417;C#CC(O)COC(=C)CF;FSEZQTPMVKCESQ-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318418;MM318418;CC(C(N)=O)C1(C)CC1;REBKCYYHONJBGK-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318419;MM318419;C#CC(O)COC(=O)CO;WLYIADLSBMQECO-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318420;MM318420;C=C1C(N)CC2(O)C(C)C12;HPAWXULLISYZFQ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318421;MM318421;C#CC(O)COC(=O)CF;QWZHHRITMILTCU-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318422;MM318422;C=C1C(O)CC2(O)C(C)C12;JNYCURIZGNFZGT-UHFFFAOYSA-N;140.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318423;MM318423;C#CC(F)COC(=C)CN;VTZCSBRUGSRHDT-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318424;MM318424;CC1CC2(O)C(C)C2C1=O;RYLUIAOFJHSGBQ-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318425;MM318425;C#CC(F)COC(=O)CO;ZSKUTMZQXVJXPD-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318426;MM318426;CC1C2C(=O)C(O)CC12O;COFSXFLMNVKORW-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318427;MM318427;C#CC(C)COC(=N)NC;TVNZNSHTAZQUBO-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318428;MM318428;C=C1C(C)CC2(O)C(N)C12;AHZYXGMZGOQPRS-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318429;MM318429;C#CC(C)COC(=O)NC;UMESFCHOCVFXQE-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318430;MM318430;C=C1C(N)CC2(O)C(O)C12;DANCYDSQEOTYSE-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318431;MM318431;C#CC(O)COC(=N)NC;MFMFRBVNDXNTKT-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318432;MM318432;CC1CC2(O)C(O)C2C1=O;ZLCDBOJOUFVUSH-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318433;MM318433;C#CC(O)COC(=O)NC;XXWPFZLGXUQKCC-UHFFFAOYSA-N;143.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318434;MM318434;C=C1C(C)CC2(F)C(C)C12;IDRXESVVNLGMNR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318435;MM318435;C=C1C(N)CC2(F)C(C)C12;BYMNLLKLFRBLIG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318436;MM318436;CC(C=CC#N)CCCO;JZNAFERAMIMSNF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318437;MM318437;C=C1C(O)CC2(F)C(C)C12;ZLBYZBYSVTWLAZ-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318438;MM318438;C#CC(O)COC(=O)NO;NEOIULYFRRZQII-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318439;MM318439;CC1CC2(F)C(C)C2C1=O;GCIDSBOZJRMEAF-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318440;MM318440;C#CC(F)COC(=O)NO;YTUDYORXBSXVAP-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318441;MM318441;CC1C2C(=N)N(C)CC12C;GROASPODXBSKMN-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318442;MM318442;C#CC(O)COC(=O)OC;UMGXMWVALREGRI-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318443;MM318443;CC1C2C(=N)N(N)CC12C;QELGCRKMOIFOFN-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318444;MM318444;C#CC(C)NCC(=C)CC;PFQVFCWPBSUTEI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318445;MM318445;CC1C2C(=N)N(O)CC12C;HNSBVGWWNPCKLO-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318446;MM318446;C#CC(C)NCC(=C)CN;PIWNMFPLPIUFML-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318447;MM318447;CC1C2C(=O)N(C)CC12C;PQWSSTFWKFSKBZ-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318448;MM318448;C#CC(C)NCC(=N)NC;UCDOYVDZPGHHFU-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318449;MM318449;CC1C2C(=O)N(N)CC12C;RWMXGVXNOLMKBF-UHFFFAOYSA-N;140.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318450;MM318450;C#CC(C)NCC(=N)NN;MHLKOGONPMJABI-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318451;MM318451;CN1CC2(C)C(N)C2C1=O;LAQRVIJJFHIVDN-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318452;MM318452;C#CC(C)NNC(=N)CC;VHWCNGALLGDKKO-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318453;MM318453;CN1CC2(C)C(O)C2C1=O;KYWVCZJUPJGGRR-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318454;MM318454;C#CC(C)NNC(=N)CN;OAYPVTQTULMUCZ-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318455;MM318455;CC1C2C(=N)N(C)CC12N;FSNSJYFDKFYKBD-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318456;MM318456;CC1C2C(=O)N(C)CC12N;UOUVKIBIFVSGDH-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318457;MM318457;C#CC(C)NNC(=O)CF;QWAPOXJLUGPIJJ-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318458;MM318458;C#CC(C)NNC(=N)NN;NDMSZVFASMPAHP-UHFFFAOYSA-N;141.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318459;MM318459;CN1CC2(N)C(N)C2C1=O;MWQVHKLKHMHJOY-UHFFFAOYSA-N;141.17;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318460;MM318460;CCC(=O)C(C)CCCO;SAVCDSSVZCAMGH-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318461;MM318461;CN1CC2(N)C(O)C2C1=O;GGDOJAWUFRBGJT-UHFFFAOYSA-N;142.16;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318462;MM318462;C#CC(C)OCC(=C)CC;DLVQXVCTNWKEDO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318463;MM318463;CC1C2C(=N)N(C)CC12O;DLISHKMIVRRNPI-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318464;MM318464;C#CC(C)OCC(=C)CF;CDNOIXUEVUIZCX-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318465;MM318465;CC1C2C(=N)N(N)CC12O;PUBHFBLTBUKHBX-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318466;MM318466;C#CC(C)OCC(=O)CC;RWDDXKPXGDQKFE-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318467;MM318467;CC(F)(F)C1NC1C=O;KVUMUPQXHDQXJT-UHFFFAOYSA-N;135.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318468;MM318468;C#CC(C)OCC(=N)NN;FCSUNUBVTFRTLN-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318469;MM318469;CN1CC2(F)C(N)C2C1=N;YDDSREGQNLZIGQ-UHFFFAOYSA-N;143.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318470;MM318470;C#CC(C)OCC(=N)NO;ROPXUNKGKCWVMR-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318471;MM318471;C=C(CC)C(=C)C(N)=O;BRILSBGCEVNZLQ-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318472;MM318472;COC(=O)C(C)CCCO;CXKZGICHMDCSPX-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318473;MM318473;CN1CC2(C)C(C1=N)N2C;HWRAUTLKLXPADM-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318474;MM318474;C#CC(C)OCC(=O)NO;HIFJPBZJXCBFLZ-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318475;MM318475;C=C(C(N)=O)C(C)=CC;AYHQPZBDXDBORA-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318476;MM318476;C#CC(C)OCC(=C)OC;CAOYYAVYKFWEGD-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318477;MM318477;CC1CC2(C)C(C)N2C1=N;YWOQEKAYWUPGCP-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318478;MM318478;C#CC(C)OCC(=O)OC;ZNLQXJPGWRSRMQ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318479;MM318479;CC1N2C(=N)C(N)CC12C;OXJANCKXSBOIJE-UHFFFAOYSA-N;139.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318480;MM318480;CC1CC2(C)C(C)N2C1=O;WJIXXUJQEKONAN-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318481;MM318481;C#CC(C)ONC(=N)CO;CNPWBQMVIQZDAX-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318482;MM318482;NN=COCC(=O)O;HEUULKYFHXYKNK-UHFFFAOYSA-N;118.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318483;MM318483;CC1N2C(=N)N(C)CC12C;RCLPFHYCJMEGKV-UHFFFAOYSA-N;139.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318485;MM318485;CC1N2C(=O)N(C)CC12C;NHQMIDPGKNAZSC-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318484;MM318484;C#CC(C)ONC(=N)NN;OKDLXIDNTNJUNV-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318486;MM318486;C=C1CC2(C)C(C)C2C1=C;UOLCXPHTVAVKMB-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318487;MM318487;C#CC(C)ONC(=N)NO;YSGSNUDZMUQJCV-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318488;MM318488;C#CC(C)ONC(=O)NC;MOUKKDJIUYDZBA-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318489;MM318489;C=C1C(=O)CC2(C)C(C)C12;XWGGKXUSDNDWRV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318491;MM318491;C#CC(C)ONC(=O)NN;RWNWQOLUZMZVAB-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318490;MM318490;C=C1CC2(C)C(C)C2C1=O;ONPBQUMYKNFSOJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318492;MM318492;C#CC(C)ONC(=O)NO;PDHSXNUDILOVTF-UHFFFAOYSA-N;144.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318493;MM318493;CC1C2C(=O)C(=O)CC12C;KWRFYMUYUWBZPU-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318494;MM318494;C=C1CC2(C)C(O)C2C1=O;TVNDONWAYSWSSG-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318495;MM318495;C#CC(C)CCC(=C)C=C;CYKGMIFFJVKMEF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318496;MM318496;C=C1CC2(N)C(C)C2C1=C;LPINXAXBKQPPPO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318497;MM318497;C#CC(C)CCC(=C)C=O;KZODTOGUDPLXFG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318498;MM318498;C=C1CC2(N)C(N)C2C1=C;BXAQGUOVTVPBHY-UHFFFAOYSA-N;136.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318499;MM318499;C#CC(C)CCC(=C)C#N;VTGZOWAOPOIBBG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318500;MM318500;C#CC(C)CCC(=O)C=C;ISXFIPLWVSZUGS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318501;MM318501;CC1CC1C(C)C(N)=O;MYCYCUPFHWUDDK-UHFFFAOYSA-N;127.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318502;MM318502;C=C1C(=O)CC2(O)C(C)C12;VBSHVPIYSJWOCB-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318503;MM318503;C#CC(C)CCC(=O)C#N;QJZBNYVHZFAZLW-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318504;MM318504;C#CC(N)CCC(=C)C=C;SIUVBAYUOSXSSG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318505;MM318505;C=C1CC2(O)C(C)C2C1=O;SPJKYIWMHBZNAW-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318506;MM318506;C#CC(O)CCC(=C)C=C;WWTGOQUKYZJGRQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318507;MM318507;CC1C2C(=O)C(=O)CC12O;DNEJCZYJTPFYJR-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318508;MM318508;C#CC(O)CCC(=C)C#N;ICEQGZMWKRQMMR-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318509;MM318509;C=C1C(=O)CC2(O)C(O)C12;NHQCWZLCXVOUQO-UHFFFAOYSA-N;140.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318510;MM318510;C#CC(O)CCC(=O)C#N;RTJDLKMPAVRCSA-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318511;MM318511;C=C1CC2(O)C(O)C2C1=O;JDFQEZREENMKPJ-UHFFFAOYSA-N;140.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318512;MM318512;C#CC(F)CCC(=C)C=C;ZUDHLNTVQDPZPH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318513;MM318513;O=C1CC2(O)C(O)C2C1=O;CZWPWBKXIQCASU-UHFFFAOYSA-N;142.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318514;MM318514;C=C1CC2(F)C(C)C2C1=C;QIUPENLPVDYLMJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318515;MM318515;C#CC(F)CCC(=C)C=O;SAGHAGIDGRDQHP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318517;MM318517;C#CC(F)CCC(=C)C#N;JBVWWYBFROERNT-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318516;MM318516;C=C1C(=O)CC2(F)C(C)C12;JWUBBEJVQRUBQG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318518;MM318518;C#CC(F)CCC(=O)C=C;NGITZRMHQDCDAQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318519;MM318519;C=C1CC2(F)C(C)C2C1=O;QTGOLQJHPJTTAH-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318520;MM318520;C#CC(C)CNC(=N)C=C;PYEOGDKVTHKMNY-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318521;MM318521;CC1C2C(=O)C(=O)CC12F;COSHPRUWNITPOS-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318522;MM318522;C#CC(C)CN=C(N)C=O;SILZKGLJOJDMKP-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318523;MM318523;C=C1CC2(F)C(N)C2C1=C;WTDREUUSDAGXNL-UHFFFAOYSA-N;139.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318524;MM318524;C#CC(C)CNC(=O)C=O;RHCLSBZWOHRMQC-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318525;MM318525;CCCC1CC1C(N)=O;MCDFSZQKHQJYKF-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318526;MM318526;C#CC(C)CNC(=O)C#N;GGANHWSCYZJJOY-UHFFFAOYSA-N;136.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318527;MM318527;C=C1CC2(C)C(C)N2C1=N;ZAAHRQAOTDTCEI-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318528;MM318528;C#CC(N)CNC(=N)C=C;JHIGORXFCWAXGA-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318529;MM318529;CCC1(CC)NCC1=O;CPQALEVZQKTPLE-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318530;MM318530;C#CC(O)CNC(=N)C=C;OPNGASCNYOTSTA-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318531;MM318531;C=C1CC2(C)C(C)N2C1=O;AOEUTGBZWZPDLM-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318532;MM318532;C=C(C=O)C(C)CCCO;LWYJXRPIRYKFBA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318533;MM318533;CC1N2C(=O)C(=O)CC12C;TWPCDQZPJBFIFX-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318534;MM318534;C=C(C#N)C(C)CCCO;JLFVNRUMGCBGEO-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318535;MM318535;O=CCCC(=O)N1CC1;NNZOZXHNMBTJQK-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318536;MM318536;C#CC(O)CNC(=O)C=O;LPPWIZIGRMZHBO-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318537;MM318537;CC1CC(C)C2(C)CC12C;VGZGQFAIHKVZDR-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318538;MM318538;C#CC(O)CNC(=O)C#N;RXXVAFIJWVAAAN-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318539;MM318539;CC1OC2CC2(C)C1(C)C;KTLWXLKONYDAGG-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318540;MM318540;C#CC(F)CNC(=N)C=C;PSIVRWSMOJOVEL-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318541;MM318541;CC(C)C1CC(C(C)C)C1;QDNJZGPXCQXXQG-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318542;MM318542;C#CC(F)CNC(=N)C=O;URZSCZKHZRVLQB-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318543;MM318543;CC(C)C1CC(C(C)N)C1;WSOLDICOCXBNQB-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318544;MM318544;C#CC(F)CNC(=O)C=O;BWRXBPJTZWSEHU-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318545;MM318545;CNN=COC(C)CC=O;QGAASHJOZWRTSQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318546;MM318546;C#CC(F)CNC(=O)C#N;GDMWWENKRRQVEO-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318547;MM318547;CC(C)C1CC(C(C)F)C1;WPCVYOBZJIOSLG-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318548;MM318548;C#CC(C)COC(=C)C=C;BIFQYZQMFIGPIW-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318549;MM318549;CC(N)C1CC(C(C)N)C1;KIZAFUIZHOCTNS-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318550;MM318550;C#CC(C)COC(=C)C=O;IPSJRUDHFJZLCZ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318551;MM318551;CC(N)C1CC(C(C)O)C1;NLJDGKCSBBVWFR-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318552;MM318552;C#CC(C)COC(=C)C#N;PYWJMGPPEHZONX-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318553;MM318553;CC(N)C1CC(C(C)F)C1;BPDLDGBLCWFTCH-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318554;MM318554;C#CC(C)COC(=O)C=C;XALGKBDEBHOEAJ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318555;MM318555;CNC(C#N)(C=O)C(C)=O;HWYCDCCQPTVNOG-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318556;MM318556;C#CC(C)COC(=O)C#N;SNVSDOWGBLIACZ-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318557;MM318557;CC(C)C1CC(C(C)C)N1;WDUIAPVILKXQFC-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318558;MM318558;C#CC(O)COC(=C)C=C;OHJAGOXMCKEUTL-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318559;MM318559;CC(C)C1CC(C(C)N)N1;MNUJQHPGCRTLIC-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318560;MM318560;C#CC(O)COC(=O)C=C;VDGWDBZQTFMOHT-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318561;MM318561;CC(N)C1CC(C(C)N)N1;JKGSSILPTXTEJJ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318562;MM318562;C#CC(O)COC(=O)C=O;QGLZRHZRAGJJRY-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318563;MM318563;CC(N)C1CC(C(C)O)N1;XBNDRYYFNDUXKL-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318564;MM318564;C#CC(F)COC(=C)C=O;WHDMBLDSZUODOU-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318565;MM318565;CC(N)C1CC(C(C)F)N1;ZXSWYPIXHOILPE-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318566;MM318566;C#CC(F)COC(=C)C#N;HANBVTFRVUSRTF-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318567;MM318567;CC(O)C1CC(C(C)F)N1;MODZAZBCYSJXHO-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318568;MM318568;C#CC(C)NCC(=C)C#N;ABPMKKXQWKWZNM-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318569;MM318569;CC(C)C1CC(C(C)N)O1;UDKWMAXDCMALIX-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318570;MM318570;C=CC(=O)C(C)CCCO;HFLKDZULIOCLPD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318571;MM318571;CC(C)C1CC(C(C)F)O1;KZEFIAZYRXYLQZ-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318572;MM318572;C#CC#CC(C)C(O)C=C;TYZJEBAZZGULHO-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318573;MM318573;CC(N)C1CC(C(C)N)O1;FHVDCFKQUAJHLP-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318574;MM318574;C#CC(C=CC)C(=C)CO;LKJJCFQATPTXHZ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318575;MM318575;CC(N)C1CC(N(C)C)C1;WHRSPVCTQARINE-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318576;MM318576;C#CCC(CO)=C(C)C#C;GBIUEXWBMFQFKK-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318577;MM318577;CC(F)C1CC(N(C)C)C1;YYFDMEIMOVUYQG-UHFFFAOYSA-N;145.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318578;MM318578;C#CC(C)OCC(=C)C=C;QSSMRQODGJNZDE-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318579;MM318579;CN(C)C1CC(N(C)C)C1;XNZPRGIVJZODMC-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318580;MM318580;C#CC(C)OCC(=C)C=O;DBWRAWSAXPQWOE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318581;MM318581;CC(C)C1CN(C(C)C)C1;VMHOMJMOKJJLAX-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318582;MM318582;C#CC(C)OCC(=C)C#N;GATZRFUNCSQSDJ-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318583;MM318583;CC(N)C1CN(C(C)C)C1;RQQSXIGNEJMSSI-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318584;MM318584;C=CC(CCO)CCCO;DVRGWXWKTPJKFL-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318585;MM318585;CC(O)C1CN(C(C)C)C1;WWJJXKXNSRYRKU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318586;MM318586;C#CC(=C)CCC(C)C#C;PECWPPWQXRRXFZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318587;MM318587;CC(F)C1CN(C(C)C)C1;VDDDXUSGHCIYIB-UHFFFAOYSA-N;145.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318588;MM318588;C#CC(=C)CCC(N)C#C;XFNMNXGGVNPZLN-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318589;MM318589;CC(C)N1CC(N(C)C)C1;AGJGEQPEIFHPQV-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318590;MM318590;C#CC(=C)CCC(F)C#C;DIXJDNAJRPTPTD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318591;MM318591;C=C(C)C1CC(C(C)C)C1;ROGORAOIKHICBU-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318592;MM318592;C#CC(=N)NCC(C)C#C;XZJIMEQHHLFKFH-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318593;MM318593;CC(=O)C1CC(C(C)C)C1;CSPHNYVVJBIVIR-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318594;MM318594;C#CC(=O)NCC(C)C#C;KZCNKDDFIOLPKQ-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318595;MM318595;C#CC(=N)NCC(F)C#C;PRTZYOANSVRVKD-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318596;MM318596;CC(C)C1CC(C(=N)N)C1;JDARNNFBUOSXGO-UHFFFAOYSA-N;140.23;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318597;MM318597;C#CC(=O)NCC(F)C#C;SSOCQTLTBPELSR-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318598;MM318598;C#CC#CC(F)CON=C;NOFQWGAFCRXXNJ-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318599;MM318599;C#CC(=C)OCC(C)C#C;DHQHWQIFIOBLOZ-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318600;MM318600;C=C(F)C1CC(C(C)C)C1;QTVWBUNADJRTFP-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318601;MM318601;C#CC(=O)OCC(C)C#C;CHOYUQZDDYBQPO-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318602;MM318602;C=C(C)C1CC(C(C)N)C1;DBNRTROMIRMOMP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318603;MM318603;C#CC(=C)OCC(F)C#C;JZTCIUZCXWTOFK-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318604;MM318604;CC(N)C1CC(C(=N)N)C1;YJCGYTPGHKVARM-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318605;MM318605;CC(N)C1CC(C(N)=O)C1;TVTLUWPQUQULJP-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318606;MM318606;C#CC(=O)OCC(F)C#C;BTLZQLVCIIWMNJ-UHFFFAOYSA-N;140.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318607;MM318607;C#CC(=C)COC(C)C#C;VEPWZDORODKQOJ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318608;MM318608;CNN=CC(C)=CCCO;APYXRAWFWKBVCA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318609;MM318609;CC=NN(C=O)C(=O)CN;PDXOKFYVKMVYNJ-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318610;MM318610;C#CC(=O)COC(C)C#C;MOVHZAIHFIQXLS-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318611;MM318611;CC(O)C1CC(C(=N)N)C1;BSNGRMJHAHACBI-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318612;MM318612;C=C(CC)CCC(=C)CC;JBIIGSUKDPEODW-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318613;MM318613;C=CC(CNC=O)C(C)C;USLYAFWVTWOUFF-UHFFFAOYSA-N;141.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318614;MM318614;C=C(CC)CCC(=C)CN;CMLWJZZEFVYUOC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318615;MM318615;C=C(CC)CCC(=C)CO;BEDJZYOBBAIXRP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318616;MM318616;C=C(C)C1CC(C(C)F)C1;BDLXWORGJSXCPX-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318617;MM318617;C=C(CC)CCC(=C)CF;OFOHORQRAXHFET-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318618;MM318618;CC(F)C1CC(C(=N)N)C1;RWEAETFLWSGFJK-UHFFFAOYSA-N;144.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318619;MM318619;CCNc1cnn(C=N)n1;ZMNQHHYANCQZTE-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318620;MM318620;C=C(CO)CCC(=C)CF;WLXBGMGBRPGCGF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318621;MM318621;C=C(F)C1CC(C(C)F)C1;UCNLJBQCMJOGOE-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318622;MM318622;C=C(CF)CCC(=C)CF;DYMLBJFMGYEXAG-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318623;MM318623;C=C(C)C1CC(C(C)C)N1;WFHOUWSMHIMUTK-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318624;MM318624;C=C(CC)CCC(=O)CC;PIZJRYQHZAQFSW-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318625;MM318625;CC(=O)C1CC(C(C)C)N1;JEOMKCJWGVERBN-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318626;MM318626;C=C(CC)CCC(=O)CF;OLVVZUCUHFYZMM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318627;MM318627;CC(C)C1CC(C(=N)N)N1;DNNPOEYPRYIEHI-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318628;MM318628;C=C(CF)CCC(=O)CC;VRNLSUDUAFYNGZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318629;MM318629;C=C(C)C1CC(C(C)N)N1;MGPZCPQKKYOTOR-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318630;MM318630;CCC(=O)CCC(=O)CC;CVZGUJMLZZTPKH-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318631;MM318631;CC(N)C1CC(C(N)=O)N1;VVIXGONQSOXURT-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318632;MM318632;CCC(=O)CCC(=O)CF;ZUHOYJZIBUHHDR-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318633;MM318633;C=C(C)C1CC(C(C)O)N1;VGYDCZKIPIYXCV-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318634;MM318634;C=C(CC)CCC(=N)NC;WXDQBZPWSFBRKY-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318635;MM318635;CC(=O)C1CC(C(C)O)N1;IGVYUTUKZWBVLK-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318636;MM318636;C=C(CC)CCC(=N)NN;ZYOWRWZMDYOAPP-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318637;MM318637;CC(O)C1CC(C(=N)N)N1;HTFWQHFACVJDCD-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318638;MM318638;C=C(CC)CCC(=N)NO;PTUIDTFANUNQIV-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318639;MM318639;CC(F)C1CC(C(=N)N)N1;HPJLYUBAPNSXAR-UHFFFAOYSA-N;145.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318640;MM318640;C=C(CO)CCC(=N)NO;ICSUAFWXHZGLKS-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318641;MM318641;C=C(C)C1CC(C(C)C)O1;GPGVPDSWFIXDIC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318642;MM318642;C=C(CF)CCC(=N)NC;DGZCHTMBSSRVBI-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318643;MM318643;CC(=O)C1CC(C(C)C)O1;MDNAZPKYSGYHMQ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318644;MM318644;CCCC(C=O)CCCO;YMEQIXSZQXOGOZ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318645;MM318645;CC(C)C1CC(C(=N)N)O1;KYKCHAAMQFKEOX-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318646;MM318646;C=CC(CCCO)COC;UZMVYDXXYHVXMA-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318647;MM318647;C=C(C)C1CC(C(C)N)O1;HMSFDINHYYSOIQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318648;MM318648;C=C(CC)CCC(=O)NO;TTWNHRWYNYKUPT-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318649;MM318649;CC(N)C1CC(C(=N)N)O1;ALHSWWBIZRGWPE-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318650;MM318650;C=C(CN)CCC(=O)NO;BJQVPLQJPYALDD-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318651;MM318651;CC(O)C1CC(C(=N)N)O1;YGBOFXYMYCYUIH-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318652;MM318652;C=CCC(C=C)CCCO;QNJOWEYFWZQFED-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318653;MM318653;C=C(C)C1CC(C(C)F)O1;VSTHINMWWCXGED-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318654;MM318654;C=CC(CC=O)CCCO;GTFDVQYCRROVRI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318655;MM318655;C=C(C)C1CC(N(C)C)C1;ZGSYCAVTOQVIEU-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318656;MM318656;C=C(CF)CCC(=O)NC;BVHBXUDGYBAPBO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318657;MM318657;C=CC(CC#N)CCCO;HDYZUEJFINHVON-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318658;MM318658;CC(=O)C1CC(N(C)C)C1;VVSCCNFCUHVJMO-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318659;MM318659;CN=C(N)CCC(=O)CO;IIKJTMCYBMDZSK-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318660;MM318660;CN(C)C1CC(C(=N)N)C1;VZCPVDPRGXRZQQ-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318661;MM318661;C=CCC(C=O)CCCO;QHLNJBKUMFSRFW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318662;MM318662;CC(=N)N1CC(C(C)C)C1;XCRTZEYGPZDYJV-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318663;MM318663;CCC(=O)CCC(=O)NC;NKVKUSVQZQLGOS-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318664;MM318664;CC(=O)N1CC(C(C)C)C1;BZTNGHNTUGFGAT-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318665;MM318665;CCC(=O)CCC(=O)NO;NYNHAPDMQQMTTC-UHFFFAOYSA-N;145.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318666;MM318666;CC(C)C1CN(C(=N)N)C1;BJRVTVURGNZTSJ-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318667;MM318667;CC(C)C1CN(C(N)=O)C1;GHJFAFHXTAFCPM-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318668;MM318668;CNC(=O)CCC(=O)CO;SXDYUFRVIQXTGL-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318669;MM318669;CC(=N)N1CC(C(C)N)C1;QYWKOXVAZPWESU-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318670;MM318670;O=C(CO)CCC(=O)NO;QELMZYYTTXSWIE-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318671;MM318671;CC(=O)N1CC(C(C)N)C1;YCHSQXAFMNPTBL-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318672;MM318672;CNC(=O)CCC(=O)CF;HZYXMJVKFGLFDO-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318673;MM318673;CC(N)C1CN(C(=N)N)C1;VJGQOWOFYKXWAV-UHFFFAOYSA-N;142.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318674;MM318674;C=C(CC)CCC(=C)OC;XMGWGLOKTLDXDJ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318675;MM318675;CC(N)C1CN(C(N)=O)C1;JOMABSSTPZWOCR-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318676;MM318676;C=C(CN)CCC(=C)OC;XYHUUBJHVJLDFE-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318677;MM318677;CC(=N)N1CC(C(C)O)C1;HIHLXOKWRSQAAH-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318678;MM318678;C=C(CO)CCC(=C)OC;SSKLDVHFBHSDFG-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318679;MM318679;C=C(CF)CCC(=C)OC;FOYZPBLTHOMWEE-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318680;MM318680;CC(=O)N1CC(C(C)O)C1;FKKHBYXWAWGWHW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318681;MM318681;CC(O)C1CN(C(=N)N)C1;CLUFVFGUCVKXKI-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318682;MM318682;C=C(CC)CCC(=O)OC;HREMKUVQMYGXPM-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318683;MM318683;CC(=N)N1CC(N(C)C)C1;ZKQZDOXPLUPMJE-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318684;MM318684;C=C(CCC(=O)CC)OC;SEELTEUMXNIQIM-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318685;MM318685;CN(C)C1CN(C(=N)N)C1;DZTKWGILTMSQOA-UHFFFAOYSA-N;142.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318686;MM318686;COC(=O)CCC(=O)CF;BAAQIHRVIIQRMV-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318687;MM318687;C=C(C)C1CN(C(C)C)C1;BZKYKJZBJZTUSQ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318688;MM318688;CNC(=N)CCC(=N)NC;FVDHRZGTBACAQP-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318689;MM318689;CC(C)N1CC(C(=N)N)C1;GRJNWHVOQHDJGY-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318690;MM318690;CNC(=N)CCC(=N)NN;UPKFBVJVWXVHAE-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318691;MM318691;CC(C)N1CC(C(N)=O)C1;IAUKLTBHLPBRKT-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318692;MM318692;CNC(=N)CCC(=N)NO;BHZMUNITKBHNJC-UHFFFAOYSA-N;144.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318693;MM318693;C=C(F)C1CN(C(C)C)C1;XZIAEUKWIPBJFX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318694;MM318694;N=C(CCC(=N)NN)NN;XXZUQGYMQSUQHF-UHFFFAOYSA-N;144.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318695;MM318695;C=C(C)C1CC(C(=C)C)C1;ADSFCBHZSLUBCQ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318696;MM318696;N=C(CCC(=N)NO)NN;NRQAGXOPKPCVTB-UHFFFAOYSA-N;145.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318697;MM318697;C=C(C)C1CC(C(=N)N)C1;DDIQLHPXVOWRRH-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318698;MM318698;N=C(CCC(=N)NO)NO;LHYIWYMOHCIQRH-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318699;MM318699;CC(=O)C1CC(C(C)=O)C1;AJHVWBXUOOSBRT-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318700;MM318700;CNC(=N)CCC(=O)NC;YOFFTBKFUQKHAU-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318701;MM318701;CC(=O)C1CC(C(=N)N)C1;PSLZTDPYZMKNRT-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318702;MM318702;CN=C(N)CCC(=O)NN;PVGWEQIOVKXSSW-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318703;MM318703;CC(=O)C1CC(C(N)=O)C1;WEKVMJXEBIBCKI-UHFFFAOYSA-N;141.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318704;MM318704;CN=C(N)CCC(=O)NO;NBTBAYZEQQHENP-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318705;MM318705;Cc1c(O)nnn1O;KZMWSYQYAXIWQK-UHFFFAOYSA-N;115.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318706;MM318706;CNC(=O)CCC(=N)NN;OXUTUQYXDQDEBF-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318707;MM318707;N=C(CCC(=O)NN)NN;PWSIBPUAMONKMZ-UHFFFAOYSA-N;145.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318708;MM318708;N=C(N)C1CC(C(=N)N)C1;FNZPSHAQUJTECY-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318709;MM318709;CNC(=O)CCC(=N)NO;YRROXHOUAWAZJD-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318710;MM318710;N=C(N)C1CC(C(N)=O)C1;ZCKSNCVFOIHKIH-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318711;MM318711;N=C(CCC(=O)NN)NO;HUBICDPKOHXBOL-UHFFFAOYSA-N;146.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318712;MM318712;NC(=O)C1CC(C(N)=O)C1;OJEPEHNTDPXZSY-UHFFFAOYSA-N;142.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318713;MM318713;CNC(=O)CCC(=O)NC;ZLBXNYLVDYFZAV-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318714;MM318714;C=C(C)C1CC(C(=C)C)N1;URELPEPGJBQPEX-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318715;MM318715;C#CCC(C=C)CCCO;SBBVCKJLTINBNV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318716;MM318716;C=C(C)C1CC(C(C)=O)N1;NKZLPFUJLKPKHE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318717;MM318717;CNC(=O)CCC(=O)NO;OMSJUXAJOZWNPQ-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318718;MM318718;CC(=O)C1CC(C(=N)N)N1;TYJFZNOUKKCBNX-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318719;MM318719;C=C(CCC(=N)NC)OC;ATITZOVOVBIMBS-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318720;MM318720;CCC(C=NN)CCCO;PDJFKXNFLJMCPG-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318721;MM318721;N=C(N)C1CC(C(=N)N)N1;YTERECFRVIOMGR-UHFFFAOYSA-N;141.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318722;MM318722;N=C(N)C1CC(C(N)=O)N1;GLUXGTDBZHAFFT-UHFFFAOYSA-N;142.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318723;MM318723;C#CCC(=CCC=C)CO;IUQKQAVTJJJYET-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318724;MM318724;COC(=O)CCC(=O)NO;WNIKRWDARLIIJC-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318725;MM318725;C=C(C)C1CC(C(=C)C)O1;FUZFXTLJHIOIJA-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318726;MM318726;C=C(CCC(=C)OC)OC;IWDZRNNJSAPGPE-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318727;MM318727;C=C(C)C1CC(C(C)=O)O1;BWPWNBXORDNCRN-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318728;MM318728;C=C(CCC(=O)OC)OC;LDFYSCMDUDTFNA-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318729;MM318729;C=C(C)C1CC(C(=N)N)O1;SJMUGQMUMPVADB-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318730;MM318730;C=C(CC)CNC(=N)CC;USHZEWOYOYFLJH-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318731;MM318731;C=C(C)C1CN(C(C)=N)C1;SGLHRWMARDACPD-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318732;MM318732;C=C(CN)CNC(=N)CC;WAFOHUKLHDJAMR-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318733;MM318733;C=C(C)C1CN(C(C)=O)C1;ADTUOBHOVVQGOK-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318734;MM318734;C=C(CN)CNC(=N)CN;GLIGZBPZQAXHMI-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318735;MM318735;C=C(C)C1CN(C(=N)N)C1;PUBZUFBBPAVMAX-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318736;MM318736;C=C(CN)CNC(=N)CO;DWTPHTXIWUCDBN-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318737;MM318737;C=C(C)C1CN(C(N)=O)C1;SLSKUGOEPNZHOO-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318738;MM318738;C=C(CO)CNC(=N)CC;KJIQEQJHQNQTAN-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318739;MM318739;CC(=N)N1CC(C(C)=O)C1;ZJOIZHWEOKSJCB-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318740;MM318740;C=C(CO)CNC(=N)CO;FZEXBHLWTCYKEZ-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318741;MM318741;C=Cc1[nH]nc(NC)c1C;RELIFRLHCQBSOD-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318742;MM318742;C=C(CF)CNC(=N)CC;QMSPOEWGDLVEOA-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318743;MM318743;CC(=O)C1CN(C(=N)N)C1;FWYCZPDFIFMSDA-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318744;MM318744;C=C(CF)CNC(=N)CN;FQVJSTBGWMRZFD-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318745;MM318745;CC(=N)N1CC(C(=N)N)C1;IRJZEKPDEZNWPK-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318746;MM318746;C=CC(=C)C(CC)C(N)=O;UFAGLLJFPJBWLY-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318747;MM318747;CC(=O)N1CC(C(=N)N)C1;ZHIYXKOREZAFBE-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318748;MM318748;C=C(CN)CNC(=O)CO;NMAXPJHYBHCDQD-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318749;MM318749;N=C(N)C1CN(C(=N)N)C1;WIEMVSKESKEOKN-UHFFFAOYSA-N;141.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318750;MM318750;C=C(CO)CNC(=O)CO;SAEGTYNSJLINSY-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318751;MM318751;N=C(N)C1CN(C(N)=O)C1;KEBSIAGOUTZWFL-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318752;MM318752;C=C(CF)CNC(=O)CC;CQVADRCBRMYYOW-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318753;MM318753;CC(=N)N1CC(C(N)=O)C1;DBEROLKTEKZRQX-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318754;MM318754;CCC(=N)NCC(=O)CC;ARCFCLAUEOSYHQ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318755;MM318755;CC(=O)N1CC(C(N)=O)C1;YCGDYMBQUPHMGZ-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318756;MM318756;CCC(=O)CN=C(N)CO;BZTROTIOAXMWAP-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318757;MM318757;N=C(N)N1CC(C(N)=O)C1;WVTRSAADBWJKMJ-UHFFFAOYSA-N;142.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318758;MM318758;CCC(=N)NCC(=O)CO;WCZJJLJKLLWGME-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318759;MM318759;CC(C)C(C)CC1CC1C;JYFPANFQYMUOIF-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318760;MM318760;NC(CO)=NCC(=O)CO;IGGHPRUKUYUZKV-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318761;MM318761;CC(C)C(N)CC1CC1C;IZCKCVWRULSKHG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318762;MM318762;CC(C)C(C=O)CCCO;ARKJQLAUSUMZDY-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318763;MM318763;NN=CC#CCCCCO;KHQIBGBPSBDBQP-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318764;MM318764;CCC(=N)NCC(=O)CF;SXDQASMTQGGKMM-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318765;MM318765;CC(O)C(O)CC1CC1C;DFWUURIYEMCOMX-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318766;MM318766;NC(CO)=NCC(=O)CF;NDCNFPBASQQFEU-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318767;MM318767;CC(C)C(N)CC1CC1N;FQURQDVUOPKQMY-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318768;MM318768;CCC(=O)CNC(=O)CO;NHIFOWWDAUJCPD-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318769;MM318769;CC(O)C(N)CC1CC1N;NUJDJNJFHUZQOC-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318770;MM318770;O=C(CO)CNC(=O)CO;DENYODWWTBKIJI-UHFFFAOYSA-N;147.13;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318771;MM318771;CC(C)C(O)CC1CC1N;MLQHNJMKBROJTA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318772;MM318772;O=C(CO)CNC(=O)CF;ZDNYWNUFLYAUPH-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318773;MM318773;CC(O)C(O)CC1CC1N;IVHUWXGBMDWTTD-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318774;MM318774;CCC(=O)NCC(=O)CF;RIDLWKMYBDAHDS-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318775;MM318775;CC(C)C(N)CC1CC1O;FHKMHQRAVNFKLW-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318776;MM318776;C=C(CC)CNC(=N)NC;SEMAVLULYJLPRU-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318777;MM318777;CC(O)C(O)CC1CC1O;UIXYCRXXMODWDZ-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318778;MM318778;C=C(CN)CNC(=N)NC;HWSZOSIQSHMIAC-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318779;MM318779;CC(O)C(N)CC1CC1F;KREKYKAVBFOKET-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318780;MM318780;C=C(CN)CNC(=N)NO;USNFXDIGDQNQLS-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318781;MM318781;CC(CC1CC1N)N(C)C;DTVLYMQEDNYLMR-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318782;MM318782;C=C(CO)CNC(=N)NC;SMYMUJFQIHZCMT-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318783;MM318783;CC(CC1CC1O)N(C)C;ACUYAIKJTJDFJQ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318784;MM318784;C=C(CO)CNC(=N)NN;QSLIRBQUARQWQO-UHFFFAOYSA-N;144.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318785;MM318785;C=C(CO)CNC(=N)NO;LBSOUQUKYMPDNT-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318786;MM318786;CC(C)C(N)CC1NC1C;KBPOZMMFDXOXGZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318787;MM318787;CC(O)C(N)CC1NC1C;HDIPMEJMLDLBIM-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318788;MM318788;C=C(CN)CNC(=O)NC;FCNKGPCDUOJSOW-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318789;MM318789;C=C(CO)CNC(=O)NC;XXKHAEKMXNONDR-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318790;MM318790;CC1NC1CC(C)N(C)C;WMOZQLXFDJFXFW-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318791;MM318791;C=CC(CCCO)C(C)O;SEUSAFSJVBWBJD-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318792;MM318792;CC(C)C(N)CC1OC1C;JJEPWCYWFWZCDM-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318793;MM318793;CCC(=O)CNC(=N)NC;ZZRQMALWXIRFBF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318794;MM318794;CC(O)C(O)CC1OC1C;XEPCCJHIJVXCTN-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318795;MM318795;CCC(=O)CNC(=N)NO;IDNRNDKBERTFJO-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318796;MM318796;CC(O)C(N)CC1CN1C;MCTZZDFMOZSLTC-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318797;MM318797;CNC(=N)NCC(=O)CO;SKYJTMRQXQCGEL-UHFFFAOYSA-N;145.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318798;MM318798;CC(C)(C)CNC=O;YCRJHNKOUDYKMZ-UHFFFAOYSA-N;115.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318799;MM318799;N=C(NO)NCC(=O)CO;UTTKBVQNPJJXLR-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318800;MM318800;CC(C)C(N)CN1CC1C;JMIPGRJTKURTSO-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318801;MM318801;CCC(=O)CNC(=O)NO;NYZGSXCHYGTCBW-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318802;MM318802;CC(N)C(N)CN1CC1C;UMUXYVVKXXTROI-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318803;MM318803;CNC(=O)NCC(=O)CO;ZWVJJCSWNBXAJW-UHFFFAOYSA-N;146.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318804;MM318804;CC(O)C(N)CN1CC1C;DBWYJKNEJBSCJR-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318805;MM318805;C=C(CO)CNC(=N)OC;MUUITRLXCWFCPE-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318806;MM318806;C=C(C)C(C)CC1CC1C;PJIWLWHEAUSCSH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318807;MM318807;CCC(=O)CNC(=O)OC;SJZJJHQWRXCDTC-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318808;MM318808;CC(CC1CC1C)C(=N)N;BFYKRHBQYMQJJR-UHFFFAOYSA-N;140.23;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318809;MM318809;CCC(=N)NCC(=N)NC;KUZZDEGDBBYXTE-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318810;MM318810;C=C(C)C(N)CC1CC1C;IFZYFFPMHYZRPS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318811;MM318811;CNC(=N)CNC(=N)CO;WGRPEWLBSLHEKH-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318812;MM318812;CN(C)C=CC(N)=O;OUIMZYIYOUVAEG-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318813;MM318813;CNC(=N)CNC(=N)CF;TVDIIEADWOSZIY-UHFFFAOYSA-N;146.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318814;MM318814;CC1CC1CC(O)C(=N)N;NBEKBDAOFAQQKR-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318815;MM318815;CCC(=N)NCC(=N)NN;LIJFEZQTVMIXLR-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318816;MM318816;C=C(C)C(F)CC1CC1C;SPLZXQLRAIFUEI-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318817;MM318817;N=C(CNC(=N)CO)NN;ZKZYPSZDKHRJGH-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318818;MM318818;C=C(C)C(O)CC1CC1N;ZVDNLLTUWUERKZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318819;MM318819;N=C(CNC(=N)CF)NN;BUJRXJUZJFRABI-UHFFFAOYSA-N;147.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318820;MM318820;N=C(N)C(O)CC1CC1N;OTRDJERRTFIOHH-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318821;MM318821;CCC(=N)NCC(=N)NO;OPELKNVQHKELQQ-UHFFFAOYSA-N;144.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318822;MM318822;CC(=O)C(C)CC1CC1F;CDUSZGSMCWFEPI-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318823;MM318823;N=C(CNC(=N)CN)NO;MJTUCOXBKDDDOL-UHFFFAOYSA-N;145.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318824;MM318824;C=C(C)C(N)CC1CC1F;YPBLPBPVHNZURI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318825;MM318825;N=C(CNC(=N)CO)NO;WDSPNXUAAITDSY-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318826;MM318826;CC(=N)N(C)CC1CC1C;NSEHBILDNFRLDA-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318827;MM318827;N=C(CNC(=N)CF)NO;RVWKHWBTPZUWBR-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318828;MM318828;CC(=O)N(C)CC1CC1C;XOTZDTKDCFYZMA-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318829;MM318829;CCC(=O)NCC(=N)NN;JMOZPFARJRTKKR-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318830;MM318830;CC1CC1CN(C)C(=N)N;CCTXTNHAMMUPHN-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318831;MM318831;CCC(=O)NCC(=N)NO;ORRDDQYKEOSQFL-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318832;MM318832;CC(=N)N(N)CC1CC1C;LRVRLALHLZVJFL-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318833;MM318833;C=CC(CC=CC)C(N)=O;ZBKJWRFNYFFOEF-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318834;MM318834;CC(=O)N(N)CC1CC1C;JXPWUTKSERFEJL-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318835;MM318835;NC(CNC(=O)CF)=NO;DDENEKOIEXELIY-UHFFFAOYSA-N;149.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318836;MM318836;CC(=N)N(O)CC1CC1C;HRPDEEKDUBBBHE-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318837;MM318837;CNC(=O)CN=C(N)CN;FVVYBSPDAZOLTD-UHFFFAOYSA-N;144.18;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318838;MM318838;CC1CC1CN(O)C(=N)N;SKASOBCYNOZLCA-UHFFFAOYSA-N;143.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318839;MM318839;CNC(=O)CN=C(N)CO;BNJHEMDLVNOVKZ-UHFFFAOYSA-N;145.16;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318840;MM318840;CC1CC1CN(O)C(N)=O;HISFFVZDOVQJFH-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318841;MM318841;CCC(=N)NCC(=O)NN;MXFCFURPLWVNHU-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318842;MM318842;CC(=O)N(C)CC1CC1N;XERSQBRWNSMHKG-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318843;MM318843;NNC(=O)CN=C(N)CO;PQYAOJLHKYPDEX-UHFFFAOYSA-N;146.15;-2.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318844;MM318844;CC(=N)N(O)CC1CC1N;ZRYPYHVPAMIPHX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318845;MM318845;CCC(=O)NCC(=O)NC;AUUKQDRCKMBLKY-UHFFFAOYSA-N;144.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318846;MM318846;N=C(N)N(O)CC1CC1N;ZCWXYYUHERUZOR-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318847;MM318847;CNC(=O)CNC(=O)CO;NRYYMUOZZKVPTO-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318848;MM318848;CC(=N)N(C)CC1CC1O;KFRABIBKBPUNHA-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318849;MM318849;CNC(=O)CNC(=O)CF;NLVAKKPESFOHBC-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318850;MM318850;CN(CC1CC1O)C(=N)N;DNWWUXJWDNMEBQ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318851;MM318851;NNC(=O)CNC(=O)CF;CJOGWJDLQTVIEN-UHFFFAOYSA-N;149.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318852;MM318852;CN(CC1CC1O)C(N)=O;JLDUEWAEQHPSIZ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318853;MM318853;O=C(CNC(=O)CF)NO;VXNZESKFDLLTAL-UHFFFAOYSA-N;150.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318854;MM318854;CC(=N)N(N)CC1CC1O;MGXKETKNSVPAIA-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318855;MM318855;CNC(=N)CNC(=N)NC;PXTYWLUHSQFMAT-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318856;MM318856;CCNC=CC(N)=O;QMMANBGCWPEMEB-UHFFFAOYSA-N;114.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318857;MM318857;CNC(=N)CNC(=N)NN;SYQGEJVPNNGNHV-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318858;MM318858;N=C(N)N(N)CC1CC1O;AJCTZLQPNOLVAB-UHFFFAOYSA-N;144.18;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318859;MM318859;CNC(=N)CNC(=N)NO;OZVPNCBOBRFQKG-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318860;MM318860;CC(=N)N(C)CC1CC1F;KHGFQRRNKULDJO-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318861;MM318861;CNC(=N)NCC(=N)NN;SKNPMMZHAGOQOK-UHFFFAOYSA-N;144.18;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318862;MM318862;CC(=N)N(C)NC1CC1C;LTSMUEWOZFDTPN-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318863;MM318863;N=C(CNC(=N)NN)NN;JIPOAWLVMAJCLX-UHFFFAOYSA-N;145.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318864;MM318864;CC(=O)N(C)OC1CC1C;PDRMBDLUWCXDDI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318865;MM318865;N=C(CNC(=N)NO)NN;WMHUOMKQLVNUGF-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318866;MM318866;CC1NC1CC(F)C(=N)N;VMZBPTBWMOWGKU-UHFFFAOYSA-N;145.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318867;MM318867;CNC(=N)NCC(=N)NO;LDLVZLGDEUZUNP-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318869;MM318869;N=C(CNC(=N)NN)NO;KAMKTVFLBJIDLK-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318868;MM318868;CC(=N)N(N)CC1NC1C;YCSANSQYJKHSLY-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318870;MM318870;CNC(=N)CNC(=O)NC;ISYHPZBUKYDXID-UHFFFAOYSA-N;144.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318871;MM318871;CC1NC1CN(N)C(=N)N;OLQHDOGGDBAMMG-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318872;MM318872;CNC(=N)CNC(=O)NN;FAUOOLJCABHWAN-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318873;MM318873;CC(=N)N(O)CC1NC1C;CBLDMTRWWITONF-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318874;MM318874;CNC(=N)CNC(=O)NO;SVDHQRLUNPZOLT-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318875;MM318875;CC(=N)N(C)CC1OC1C;RUMMFTDXTZPHFD-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318876;MM318876;CNC(=O)NCC(=N)NN;ZPHGKXBLEOGORH-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318877;MM318877;CC(=O)N(C)CC1OC1C;AMPBTGDEGVXPAW-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318878;MM318878;CC(=N)N(N)CC1OC1C;JUNCBRJFRBLNMT-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318879;MM318879;N=C(CNC(=O)NN)NN;OYTLLBBWHJJQIH-UHFFFAOYSA-N;146.15;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318880;MM318880;CC(=O)N(N)CC1OC1C;KQLLVCCUAKTGDO-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318881;MM318881;N=C(CNC(=O)NO)NN;GAFPKPCFTSSJFO-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318882;MM318882;CC1=NNC(C=O)C1;LBQSCBYZVVSNKF-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318883;MM318883;CNC(=O)NCC(=N)NO;IKGUAKUMJPQCNO-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318884;MM318884;CC(=N)N(C)CC1CN1C;JOSCBLIHEVPXDM-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318885;MM318885;N=C(CNC(=O)NN)NO;UHKSPMZJFGRSKD-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318886;MM318886;CC(=O)N(C)CC1CN1C;ILXJKONFOZKMQG-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318887;MM318887;N=C(CNC(=O)NO)NO;OOSLQZBXGAQLFO-UHFFFAOYSA-N;148.12;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318888;MM318888;N#Cc1cc(N)no1;GTICSFWJWOXIJU-UHFFFAOYSA-N;109.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318889;MM318889;CNC(=N)NCC(=O)NC;TWKSNDRVKMPUCS-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318890;MM318890;CC(=N)N(N)CC1CN1C;BYLJYJAMBSPUGO-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318891;MM318891;CNC(=O)CNC(=N)NN;QGSMQVNZFUEUMU-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318892;MM318892;CC(=O)N(N)CC1CN1C;QIXKJWZGNJNRNG-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318893;MM318893;CNC(=O)CNC(=N)NO;QIEQWQZQFCDOFX-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318894;MM318894;N=C(NN)NCC(=O)NN;PEHBOLFXUVITCH-UHFFFAOYSA-N;146.15;-3.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P5";;;;;;;-3.17;;-10.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318895;MM318895;CN1CC1CN(N)C(=N)N;RQDQGKHECQEOIJ-UHFFFAOYSA-N;143.19;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318896;MM318896;N=C(NO)NCC(=O)NN;WCRLLWKFRUGKHL-UHFFFAOYSA-N;147.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318897;MM318897;CC(=N)N(O)CC1CN1C;GSKTXQYMMIWIRK-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318898;MM318898;C=C(CC1CC1C)C(C)C;GPXHZNURFZROGA-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318899;MM318899;CNC(=O)CNC(=O)NC;KBCWFRNKQQPKKQ-UHFFFAOYSA-N;145.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318900;MM318900;OCCCC1CC1O;CKUGNEHHLJQULI-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318901;MM318901;C=C(C)C(C=O)=CCCO;ITGYOHPTSKMMLA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318902;MM318902;CC(C)C(=O)CC1CC1C;LDGAFEZYAMQLHB-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318903;MM318903;CNC(=O)CNC(=O)NO;FZZQLCKFXDSVLS-UHFFFAOYSA-N;147.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318904;MM318904;C=C(CC1CC1N)C(C)N;RBXIILUNQNMVHU-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318905;MM318905;C=CC(=CCCO)C(C)=O;NVBPYDMCGIAMOR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318906;MM318906;CC1CC1CC(=N)N(C)C;HXNPLLREWRBUTE-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318907;MM318907;C=CC(C#CCCC)CO;VUNOEEHCEIWCLF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318908;MM318908;CC1CC1CC(=N)N(C)N;RFPGWIGZJFYZPQ-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318909;MM318909;NNC(=O)CNC(=O)NO;BPLKWGGZPIDTTJ-UHFFFAOYSA-N;148.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318910;MM318910;CC1CC1CC(=N)N(C)O;BNFXJPQMFWUBFZ-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318911;MM318911;CNC(=O)NCC(=O)NO;VSMPDFPPBLXVJU-UHFFFAOYSA-N;147.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318912;MM318912;CC1CC1CC(=O)N(C)C;LIAQJWKZODABHT-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318913;MM318913;NNC(=O)NCC(=O)NO;PCHGXYNWBLXLBQ-UHFFFAOYSA-N;148.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318914;MM318914;CC1CC1CC(=O)N(C)N;JDWQTAPNSFBMDM-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318915;MM318915;O=C(CNC(=O)NO)NO;NBBQOVIBOUQBHD-UHFFFAOYSA-N;149.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318916;MM318916;CC1CC1CC(=O)N(C)O;XRRPVIVAGCNKBX-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318917;MM318917;CNC(=N)CNC(=N)OC;GFEFWJYKAZFVPE-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318918;MM318918;CN(C)C(=N)CC1CC1N;MQBIAKDSIFRSKK-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318919;MM318919;COC(=N)NCC(=N)NN;CFWWHQIVKVTWSJ-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318920;MM318920;CN(C)C(=O)CC1CC1N;OINCHCQCQGFINH-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318921;MM318921;COC(=N)NCC(=N)NO;UKURQZCGRUEXLG-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318922;MM318922;CN(C)C(=N)CC1CC1O;RTFLMLNVHPZFQG-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318923;MM318923;CNC(=N)CNC(=O)OC;VHPRNLDIEVUTMG-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318924;MM318924;CN(N)C(=N)CC1CC1O;IIIHQKLSSIPGJQ-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318925;MM318925;COC(=O)NCC(=N)NN;VZIKASXCKDCYQE-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318926;MM318926;CN(C)C(=N)CC1CC1F;QYAXNOBPZYYUDL-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318927;MM318927;COC(=O)NCC(=N)NO;PBVAQTPKFMDLLW-UHFFFAOYSA-N;147.13;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318928;MM318928;CC1CC1NC(=N)N(C)C;BOFZSHDHEJVZAT-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318929;MM318929;CNC(=O)CNC(=O)OC;UENZOUVNSYSZCE-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318930;MM318930;CN(C)C(=N)NC1CC1N;JQRTVRZPTICHML-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318931;MM318931;COC(=O)NCC(=O)NO;KRICPTYUXSOPEE-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318932;MM318932;C=C(CC1NC1C)C(C)N;KYMGKQYYQRKVHF-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318933;MM318933;C=C(CNC(=N)CC)OC;CPPSJOXJFGKBRE-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318934;MM318934;CC1NC1CC(=N)N(C)C;IUGCMKDBPMRDKW-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318935;MM318935;C=C(CNC(=N)CO)OC;IXZIQDICIAYFJX-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318936;MM318936;CC1NC1CC(=N)N(C)N;IDIOTHXLEGRSBH-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318937;MM318937;COC(=O)CN=C(N)CN;AZTKJGLEDGJTPD-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318938;MM318938;CC(C)(O)C=CCCO;CVRPEOCITHSDDX-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318939;MM318939;COC(=O)CN=C(N)CF;DDVWCZAOIXIKIX-UHFFFAOYSA-N;148.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318940;MM318940;CC1OC1CC(=O)N(C)O;OIXWTCHXMKKNBY-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318941;MM318941;CCC(=O)NCC(=O)OC;QZXTYJDHWPMJLY-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318942;MM318942;CN(C)C(=N)CC1CN1C;AKKRPNNGZQOVFZ-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318943;MM318943;CN(N)C(=N)CC1CN1C;TYVZDHIJBOCIOK-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318944;MM318944;COC(=O)CNC(=O)CF;IXGXRUQZXOLIMU-UHFFFAOYSA-N;149.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318945;MM318945;CN(C)C(=O)CC1CN1C;QMEUZEBJJYVHLV-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318946;MM318946;C=C(CNC(=N)NN)OC;DIPRDCFGZUWWIP-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318947;MM318947;C=C(C)C(=C)CC1CC1C;NNZCCZFRDATUGZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318948;MM318948;C=C(CNC(=N)NO)OC;WFDVWHQSCSTCJO-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318949;MM318949;C=C(CC1CC1C)C(C)=O;KWUDPTYVKWTYIC-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318950;MM318950;C=C(CNC(=O)NC)OC;SXCSHPKKIFXORN-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318951;MM318951;C=C(CC1CC1C)C(=N)N;CLUQSUUFIBIHIF-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318952;MM318952;CC=CC#CC(CC)CO;BXZKOYCZYFIWMV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318953;MM318953;C=C(C)C(=O)CC1CC1C;CCHZCVNIQOZQPS-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318954;MM318954;CNC(=N)NCC(=O)OC;FBYCOPUSGRWABT-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318955;MM318955;CC(=O)C(=O)CC1CC1C;FFNFBWXQZNCVOE-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318956;MM318956;COC(=O)CNC(=N)NN;DKTDDAPSBQJSQC-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318957;MM318957;CC1CC1CC(=O)C(=N)N;IIUSYMKRRJDWPD-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318958;MM318958;COC(=O)CNC(=N)NO;SKBJYNIFGGJDHF-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318959;MM318959;C=C(C)C(=C)CC1CC1N;NMAOZDMHNVCGGL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318960;MM318960;CNC(=O)NCC(=O)OC;FQRJAXDYRTYHTI-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318961;MM318961;C=C(CC1CC1N)C(=N)N;GZOGAKDGHRNYOE-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318962;MM318962;C#CC(C=O)C(C)ON=C;HLCZUTIKCAJSFV-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318963;MM318963;CC(=CN(C)C)C(N)=O;GLYABMCAKFVDOH-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318964;MM318964;COC(=O)CNC(=O)NO;KNGKFFOYEFTEMU-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318965;MM318965;CC1(C)NC1C(=O)C=O;NQTVMVHIUBHEQL-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318966;MM318966;C=C(CNC(=O)OC)OC;ABNVKCOPEWHCOI-UHFFFAOYSA-N;145.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318967;MM318967;C=C(CC1CC1O)C(=N)N;OVWKQJRVQXMIPC-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318968;MM318968;COC(=O)CNC(=O)OC;SYMYZVXEVWVLQT-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318969;MM318969;CC(O)CC=CCCO;QGJPLCHPSHKXQA-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318970;MM318970;C=C(CC)COC(=C)CC;RGLXTDVAKOLNNU-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318971;MM318971;C=C(C)C(=O)CC1CC1O;FPBRKLZFSHNYJA-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318972;MM318972;C=C(CC)COC(=C)CN;HUOLRRARJVJHMV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318973;MM318973;C=C(C)C(=C)CC1CC1F;WCJOHMIVSKTMDA-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318974;MM318974;C=C(CC)COC(=C)CO;PHNPQFXCNVSSNN-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318975;MM318975;C=C(CC1CC1F)C(C)=O;KNAOBZSKJMCGHA-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318976;MM318976;C=C(CC)COC(=C)CF;KNWWTUGLKVRWOF-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318977;MM318977;C=C(CC1CC1F)C(=N)N;AHXULSKXEFHBSI-UHFFFAOYSA-N;142.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318978;MM318978;C=C(CN)COC(=C)CC;CLVKREIGXAKFEU-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318979;MM318979;CC1(O)CC1CCCO;CITBEVKFAFQLEA-UHFFFAOYSA-N;130.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318980;MM318980;C=C(CO)COC(=C)CC;ORXOORKACSMFDL-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318981;MM318981;C=C(CC1NC1C)C(=N)N;JGOJGWOAFLLWDN-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318982;MM318982;C=C(CO)COC(=C)CF;IBYVKMUTIDGQPV-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318983;MM318983;C=C(C)C(=C)CC1OC1C;UYFADKGJTKJFSB-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318984;MM318984;C=C(CF)COC(=C)CC;ZAIVFYWYTGPGSH-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318985;MM318985;C=C(CC1OC1C)C(C)=O;ASAKZMWCZCBQGJ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318986;MM318986;C=C(CC)COC(=O)CC;KMSGNSGAYMKXBJ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318987;MM318987;C=C(CC1OC1C)C(=N)N;PWZVUKJFMRJWHS-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318988;MM318988;C=C(CC)COC(=O)CF;BMQUZHVCUSSFFV-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318989;MM318989;C=C(C)C(=O)CC1OC1C;QUKIXTWRWIJDCO-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318990;MM318990;C=C(CN)COC(=O)CO;ZFXJMZOTIFMDGG-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318991;MM318991;CC(=O)C(=O)CC1OC1C;BMOILYOARWVLOS-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318992;MM318992;C=C(CO)COC(=O)CC;PKVMQSHFMATIHI-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318993;MM318993;CC(O)C(C)CCCO;JPAIHHDYGSYVPR-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318994;MM318994;C=C(CO)COC(=O)CF;HFSDRMXIFPSWJT-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318995;MM318995;C=C(CC1CN1C)C(=N)N;IQAFLCIZCLNKSZ-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318996;MM318996;C=C(CF)COC(=O)CC;JLWXYOGIJACSSV-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318997;MM318997;C=C(F)C(=C)CC1CN1C;LZCWRRYADMRASG-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318998;MM318998;C=C(CO)OCC(=O)CO;WNYOEBYRYVDUNZ-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM318999;MM318999;CC(C=CCCO)CO;UGIMTKPWDGRQHP-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319000;MM319000;C=C(CF)OCC(=O)CO;YKXGJDGVFMAGBO-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319001;MM319001;C=C(CO)OCC(=O)CF;KPEAEWDPWIHTJR-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319002;MM319002;CCC(O)C=CCCO;PXMUSGXMTNHCGG-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319003;MM319003;CCC(=O)COC(=O)CC;CCELQCTXMVQZQT-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319004;MM319004;C=C(C)C(=O)CN1CC1C;BLTYRRBAMQGTBP-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319005;MM319005;CCC(=O)COC(=O)CO;FFVWBWZUNLVOFC-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319006;MM319006;CC(=CC1OC1C)C(C)C;FGIWYORJRNPFJX-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319007;MM319007;CCC(=O)OCC(=O)CO;JHHINXUKBJIIKE-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319008;MM319008;CC(=NN1CC1C)C(C)C;XEPRUZXYGHFLLM-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319009;MM319009;O=C(CF)COC(=O)CF;BZWHCWDHXBZFSY-UHFFFAOYSA-N;152.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319010;MM319010;CC(=NN1CC1C)C(C)N;TUTFOOPBLHUIRK-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319011;MM319011;CC(=NN1CC1C)C(C)F;MOSFKGZWYDYUNQ-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319012;MM319012;C=C(CC)COC(=N)NC;POOPVKTYSNXVPE-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319013;MM319013;C=C(C)C(C)=CC1CC1C;YXYAILUTODIVIH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319014;MM319014;C=C(CN)COC(=N)NC;ZADPDTBKIXDPHK-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319015;MM319015;CC(=O)C(C)=CN1CC1C;SZTYMSHRQWWOJY-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319016;MM319016;C=C(CN)COC(=N)NO;ZFNDOLCSBAAEHC-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319017;MM319017;C=C(CO)COC(=O)NC;JRLURJQYFJGXNP-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319018;MM319018;CC(=CN1CC1C)C(=N)N;QAWJKGZLHWKTNC-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319019;MM319019;C=C(CF)COC(=O)NO;CZJHMLDMGDCIQH-UHFFFAOYSA-N;149.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319020;MM319020;C=C(C)C(C)=NN1CC1C;FPYXYPCZLFJPSG-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319021;MM319021;CNC(=N)OCC(=O)CO;IYBYPMDDKKGBKY-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319022;MM319022;CC(=NN1CC1C)C(=N)N;CPQIBZFHJAIYLU-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319023;MM319023;CCC(=O)COC(=O)NC;WABKJOCJTFPXSU-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319024;MM319024;C=NOC(C=O)C=CF;ZNJMVHNPVMWCDL-UHFFFAOYSA-N;131.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319025;MM319025;C=C(CC)COC(=O)OC;OPHAMMGZCLAFEU-UHFFFAOYSA-N;144.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319026;MM319026;C=C(F)C(C)=NN1CC1C;HRZPVAQJHUNAQM-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319027;MM319027;C=C(CF)COC(=O)OC;XJRNRNVPBPKPDF-UHFFFAOYSA-N;148.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319028;MM319028;CC(C)=C(C)CC1CC1C;WRSAWNOOVCXWTE-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319029;MM319029;C=C(CC)OCC(=N)NC;KVGQBHKYPAGQEQ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319030;MM319030;CC(F)=C(C)CC1CC1C;UCPUNSMXBVNERC-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319031;MM319031;C=C(CN)OCC(=N)NC;DQJCWBZRNRZCIK-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319032;MM319032;CC(CC1CC1C)=C(F)F;HGPIKKAFXFKYKZ-UHFFFAOYSA-N;146.18;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319033;MM319033;C=C(CF)OCC(=N)NC;HBMGWCUNNJXZKG-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319034;MM319034;CC(C)=C(F)CC1CC1C;KVKHXEDPSAERSB-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319035;MM319035;CC(F)=C(F)CC1CC1C;IFYHWXRCVUKZQU-UHFFFAOYSA-N;146.18;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319036;MM319036;C=C(CC)OCC(=N)NN;VBPZPJPUBQPYLO-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319037;MM319037;C=C(CO)OCC(=N)NN;FFEJPVWOKNNBNW-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319038;MM319038;CC(C)=C(C)CC1CC1N;WXFMTGYZYHEAEV-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319039;MM319039;C=C(CF)OCC(=N)NN;JRMWQUUONVZQAH-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319040;MM319040;CC(F)=C(C)CC1CC1N;GEDFVQIOJOOXMU-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319041;MM319041;C=C(CC)OCC(=N)NO;WDYLJBOSYLXVPK-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319042;MM319042;CC(CC1CC1N)=C(F)F;IAXSELISPVKFPR-UHFFFAOYSA-N;147.17;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319043;MM319043;C=C(CO)OCC(=N)NO;DVUYOWKWSNXCTK-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319044;MM319044;CN1CC(C=O)CC1=O;KYJBHEXXMLSDOT-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319045;MM319045;C=C(CF)OCC(=N)NO;PJBDXLRHYXDLLT-UHFFFAOYSA-N;148.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319046;MM319046;CC(CC1CC1)C(N)=O;PQXRGXUUXZUBBT-UHFFFAOYSA-N;127.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319047;MM319047;CN=C(N)COC(=O)CN;WXOAZPQSCXKDIX-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319048;MM319048;OC1CC1CC(F)=C(F)F;VVIDFTMEJAPHQF-UHFFFAOYSA-N;152.12;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319049;MM319049;CN=C(N)COC(=O)CO;BURFPCUILGVYKY-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319050;MM319050;CC(C)=C(C)CC1CC1F;DBWLMVSXWJOXPM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319051;MM319051;NC(COC(=O)CO)=NO;VVZCGIYHXBQVEE-UHFFFAOYSA-N;148.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319052;MM319052;CC(F)=C(C)CC1CC1F;SMNNAPDEXNEBNZ-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319053;MM319053;C=C(CN)OCC(=O)NC;CPBTUSLSDLXUCL-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319054;MM319054;CC(CC1CC1F)=C(F)F;YDWYRRXQVCRRTB-UHFFFAOYSA-N;150.14;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319055;MM319055;C=C(CO)OCC(=O)NC;WDCPUJPOTHIWCG-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319056;MM319056;CC(C)=C(C)CC1OC1C;FPDDASMTAQUVED-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319057;MM319057;C#CC(=CC1CC1O)CC;HCGGDYWYMONFIP-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319058;MM319058;CC(F)=C(C)CC1OC1C;FPMCGKYXZFIHPJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319059;MM319059;C=C(CO)OCC(=O)NO;DKSYRYPGVXKQCM-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319060;MM319060;CC(CC1OC1C)=C(F)F;BUFUIGPPIPCAJO-UHFFFAOYSA-N;148.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319061;MM319061;C=C(CF)OCC(=O)NO;KPSULYIKEKWENL-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319062;MM319062;CC(F)=C(F)CC1OC1C;DIKOEEKCYPFJJL-UHFFFAOYSA-N;148.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319063;MM319063;CCC(=O)OCC(=O)NC;NVLOLUWQSYISMV-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319064;MM319064;CC(F)=C(C)CC1CN1C;PCHLFEKSGJNJBX-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319065;MM319065;CNC(=O)COC(=O)CO;VKGDZORHFFZVFG-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319066;MM319066;CC(C)=C(F)CC1CN1C;KZUGKDJIBIITFY-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319067;MM319067;C=C(CO)C1CC(CC)C1;REQLYKYKBFDULF-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319068;MM319068;C=C(C)C1CC(=N)N(C)C1;VBKMIQVBMZGBSA-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319069;MM319069;C=C(CO)C1CC(CF)C1;JKRGSXLKGCGRKA-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319070;MM319070;C=C(C)C1CC(=O)N(C)C1;YAWUZMDAIYHBCA-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319071;MM319071;O=C(COC(=O)CF)NO;MGIMGNRKVGLQEK-UHFFFAOYSA-N;151.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319072;MM319072;C=C(C)C1CC(=N)N(N)C1;IAXYMYUVJMMGQD-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319073;MM319073;N=C(COC(=N)NN)NN;FVMIKDKMBRSHFW-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319074;MM319074;C=C(C)C1CC(=O)N(N)C1;DDBBJQBQGQSIFY-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319075;MM319075;N=C(COC(=N)NO)NN;BISNWALZVSBNAE-UHFFFAOYSA-N;147.14;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319076;MM319076;C=C(C)C1CC(=N)N(O)C1;MPOOCVUGRIQXQP-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319077;MM319077;N=C(COC(=N)NN)NO;QUHNJKXJJQPWBP-UHFFFAOYSA-N;147.14;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319078;MM319078;CN1CC1C=CCCO;QCHWOZPIZLPDCL-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319079;MM319079;N=C(COC(=N)NO)NO;MROBQRAMGKFWSK-UHFFFAOYSA-N;148.12;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319080;MM319080;CC(C)n1oc(=O)c(=O)o1;VGZMLUVQKBSBRW-UHFFFAOYSA-N;145.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319081;MM319081;CNC(=N)COC(=O)NC;RDDVYUKUHSRGPZ-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319082;MM319082;C=C1CC(C(=C)C)CC1=C;MSXZJLVFLPZNMP-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319083;MM319083;CNC(=N)COC(=O)NN;DJRCUGXCVTYMNV-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319084;MM319084;C=C1CC(C(=C)C)CC1=O;UBHVGZSXIDOMEH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319085;MM319085;CNC(=O)OCC(=N)NN;ZYQKJJMEUCSLAQ-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319086;MM319086;C=C(C)C1CC(=O)C(=O)C1;MXEJWDKZJQSZLB-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319087;MM319087;N=C(COC(=O)NN)NN;JBPAWVIINKSZDY-UHFFFAOYSA-N;147.14;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319088;MM319088;C=NN(C=O)C(=O)CN;IKBWDIVCIJNSMY-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319089;MM319089;CNC(=N)OCC(=O)NC;IKKDWBASUZNUFD-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319090;MM319090;CCC(CO)CCCO;DEPDXIXAMMDTBV-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319091;MM319091;CNC(=N)OCC(=O)NN;HEGVNVLOYIJPDX-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319092;MM319092;CC(=O)n1nc(N)c(=O)o1;WNMZYKVKZUJPTN-UHFFFAOYSA-N;143.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319093;MM319093;CNC(=N)OCC(=O)NO;JASHOONMRWUJCQ-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319094;MM319094;NC(=O)n1nc(N)c(=O)o1;SOGKDWKJBNVOOL-UHFFFAOYSA-N;144.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319095;MM319095;CNC(=O)COC(=O)NC;CCFCTXHPUYASFG-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319096;MM319096;C=C(CO)C1CC(OC)C1;LOASHOAKDGSGHJ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319097;MM319097;CC(O)C(NC=O)C(=O)O;XPMTWLZSOSJMDJ-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319098;MM319098;CNC(=O)COC(=O)NO;CGXNJYAIAZWBFO-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319099;MM319099;C=CCn1ncc(O)n1;ATSQAOPZFYEETQ-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319100;MM319100;C=C(CO)C1CC(C#N)C1;STLXQQKBBIPSMO-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319101;MM319101;N#CC(O)(C=NO)C(N)=O;RNEIDXATVBURDX-UHFFFAOYSA-N;143.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319102;MM319102;C#CC1CC(C(=C)CO)C1;IINKAQIQYUFHSH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319103;MM319103;C=C(C)n1oc(=O)c(=O)o1;YWUIVKPIENEJBV-UHFFFAOYSA-N;143.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319104;MM319104;NNC(=O)COC(=O)NO;UVWRQZQLAACTGC-UHFFFAOYSA-N;149.11;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319105;MM319105;CC(=N)n1oc(=O)c(=O)o1;FLEPGZIZTLECFP-UHFFFAOYSA-N;144.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319106;MM319106;NNC(=O)OCC(=O)NO;RQNRUWHGKXQHGS-UHFFFAOYSA-N;149.11;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319107;MM319107;Cc1nn(C(C)C)oc1=O;BFLSDOAOVDSJLK-UHFFFAOYSA-N;142.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319108;MM319108;COC(=O)OCC(=N)NN;DACXYTWETHOJRD-UHFFFAOYSA-N;147.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319109;MM319109;CC(C)n1nc(F)c(=O)o1;WHTKVMZSEBFHOK-UHFFFAOYSA-N;146.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319110;MM319110;CC=C1CC(CO)=CC1C;WYOYTINNBCXJHT-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319111;MM319111;C=C(C)n1nc(C)c(=O)o1;JNCWOVWUVWUMAW-UHFFFAOYSA-N;140.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319112;MM319112;COC(=O)OCC(=O)NO;KFFJQUIHOWIYNM-UHFFFAOYSA-N;149.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319113;MM319113;CC(=N)n1nc(C)c(=O)o1;DIVZHGASRNZNST-UHFFFAOYSA-N;141.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319114;MM319114;C=C(COC(=C)CC)OC;RCPAGOXTOJPAMO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319115;MM319115;CC(=O)n1nc(C)c(=O)o1;UPDPVRINVTXOPA-UHFFFAOYSA-N;142.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319116;MM319116;C=C(COC(=C)CO)OC;WTGFHZKOSHRCBM-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319117;MM319117;Cc1nn(C(N)=O)oc1=O;KWQFIEYMGVFUFW-UHFFFAOYSA-N;143.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319118;MM319118;C=C(COC(=O)CC)OC;JDMHVBGFXGSQHO-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319119;MM319119;CCN(OC)C(=N)C(=O)O;GKQVXIDPXQLEQI-UHFFFAOYSA-N;146.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319120;MM319120;C=C(COC(=O)CF)OC;RAABRZINCIZMBM-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319121;MM319121;C=C(C)n1nc(F)c(=O)o1;KGURNCVIUFYAMS-UHFFFAOYSA-N;144.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319122;MM319122;C=C(CC)OCC(=O)OC;PLCASCTZXUMRCE-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319123;MM319123;CC(=N)n1nc(F)c(=O)o1;KXHJNFFNBAKPBW-UHFFFAOYSA-N;145.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319124;MM319124;COC(=O)COC(=O)CO;WYHQOUZYESJLBW-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319125;MM319125;CC(=O)n1nc(F)c(=O)o1;VYIYFKHPTOQMFJ-UHFFFAOYSA-N;146.08;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319126;MM319126;C=C(COC(=O)NC)OC;KHBGDQMRTCHXCV-UHFFFAOYSA-N;145.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319127;MM319127;CC(C)c1nc(=O)n(C)o1;SHYVICHCXZTCOQ-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319128;MM319128;CNC(=N)OCC(=O)OC;FDJYCMMOZIMKCO-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319129;MM319129;CC(O)c1nc(=O)n(C)o1;HWIOYILETMOXCB-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319130;MM319130;CNC(=O)OCC(=O)OC;MLBWTYIFWHIFGZ-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319131;MM319131;C=CC1NC1C(=O)C#N;XVQDOEZILONKCU-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319132;MM319132;CCC(=N)NNC(=N)CO;GWUPCHBHIXKQGE-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319133;MM319133;CC1C(O)C1CCCO;YQDYJZCZLMGZFU-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319134;MM319134;N=C(CN)NNC(=N)CN;ORXFZTTVECOFKN-UHFFFAOYSA-N;144.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319135;MM319135;CN(C)c1nc(=N)n(C)o1;JRNAOSSVYKPCRR-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319136;MM319136;N=C(CN)NNC(=N)CO;YJEGCVGWFOOQTD-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319137;MM319137;CN(C)c1nc(=O)n(C)o1;FFCABVVKCXEADF-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319138;MM319138;N=C(CN)NNC(=N)CF;QPYBDARJXGLFJL-UHFFFAOYSA-N;147.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319139;MM319139;CN(C)c1nc(=N)n(N)o1;IXZUJKBPGXSXFI-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319140;MM319140;CCC(=N)NNC(=O)CC;QQZYITSZJLYRTC-UHFFFAOYSA-N;143.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319141;MM319141;C=C(C)c1nc(=O)n(C)o1;LMPWMSHWIWPJLR-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319142;MM319142;CCC(=N)NNC(=O)CO;BIOZTJZLWZJNBO-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319143;MM319143;CC(=O)c1nc(=O)n(C)o1;CYDLDUKENCZJOG-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319144;MM319144;CCC(=O)NN=C(N)CO;MCHWCCLYRRUGCU-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319145;MM319145;CC(C)C1=CN(O)C(=O)C1;UAULSBVBZFVBKW-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319146;MM319146;NC(CO)=NNC(=O)CF;PSICJYWHCOFIIQ-UHFFFAOYSA-N;149.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319147;MM319147;CC(O)C1=CN(O)C(=O)C1;QBPIXCOAXSFGIC-UHFFFAOYSA-N;143.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319148;MM319148;CCC(=O)NNC(=O)CC;DDPOPNULNSDSKL-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319149;MM319149;CC(C)c1cn(C)c(=N)o1;MVYDAJBRAURRLX-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319150;MM319150;O=C(CO)NNC(=O)CO;PTJATISFXBFIKT-UHFFFAOYSA-N;148.12;-2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319151;MM319151;CC(N)c1cn(C)c(=N)o1;YMRSPTABQDJVIM-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319152;MM319152;CCC(=N)NNC(=N)NN;KCOWGPSSKFSICU-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319153;MM319153;CC(O)c1cn(C)c(=N)o1;HWNCOQVVSDHXRM-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319154;MM319154;CCC(=N)NNC(=N)NO;AVVAFNFJZXWEMY-UHFFFAOYSA-N;145.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319155;MM319155;C=NOCC=CCCO;GGFJAXUXGXPNNE-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319156;MM319156;CNC(=N)NNC(=N)CO;PRMPUURGOCAMFF-UHFFFAOYSA-N;145.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319157;MM319157;CC(C)c1cn(C)c(=O)o1;NOIQSRJJTDJTLY-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319158;MM319158;N=C(CO)NNC(=N)NN;MJHGRGSQCYMKSK-UHFFFAOYSA-N;146.15;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319159;MM319159;CC(N)c1cn(C)c(=O)o1;VIDYFYONZXHERG-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319160;MM319160;CNC(=N)NNC(=N)CF;UXSXMMIJWXWCQE-UHFFFAOYSA-N;147.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319161;MM319161;CC(O)c1cn(C)c(=O)o1;AAZDBINSNKKSDL-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319162;MM319162;N=C(CF)NNC(=N)NN;OHPFXSSYHKHIEQ-UHFFFAOYSA-N;148.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319163;MM319163;CC(C)c1cn(N)c(=O)o1;RDJDODOUDTUTNP-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319164;MM319164;N=C(CF)NNC(=N)NO;AAILUZIQMYLOOU-UHFFFAOYSA-N;149.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319165;MM319165;OCCC=CCN1CC1;KYPSFCHZCGLNCX-UHFFFAOYSA-N;127.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319166;MM319166;CCC(=N)NNC(=O)NC;NDUBUEHOHFSVAS-UHFFFAOYSA-N;144.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319167;MM319167;CC(C)c1nn(C)c(=N)o1;ZZEIECGHLUZXLJ-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319168;MM319168;CCC(=N)NNC(=O)NN;WFGSQAXAIAVDCU-UHFFFAOYSA-N;145.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319169;MM319169;CC(O)C=CC(C)(C)CO;WSIGFVJDBMIVSA-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319170;MM319170;CCC(=N)NNC(=O)NO;BDGBEGSALNEEAK-UHFFFAOYSA-N;146.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319171;MM319171;CC(C)c1nn(N)c(=N)o1;RADFOZWTJQUOKV-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319172;MM319172;CNC(=O)NNC(=N)CN;JJCKEZFRXXWKIM-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319173;MM319173;CC(C)(C=CCCO)CO;YEMJWRZDNUDDFA-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319174;MM319174;N=C(CN)NNC(=O)NO;HGWSLLJBENQRCK-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319175;MM319175;CCC(C)(O)C=CCCO;HHWRAWOGAVOFFD-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319176;MM319176;CNC(=O)NNC(=N)CO;KAZMOJIIGQNJHF-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-9.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319177;MM319177;C=CC(C)(O)C=CCCO;WLKUYMVNDXCDKS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319178;MM319178;N=C(CO)NNC(=O)NN;UMIBRRXVKCHPAA-UHFFFAOYSA-N;147.14;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319179;MM319179;CC(C)c1nn(C)c(=O)o1;WSYZGQXHZRKDMO-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319180;MM319180;CC=C1C=C(CO)CC1C;IKMVYSIDAQSDON-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319181;MM319181;CC(O)c1nn(C)c(=O)o1;BBUUISPCYNSYTL-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319182;MM319182;C#CC=C(C#C)C1CC1O;ORYYFGYFVUBJDJ-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319183;MM319183;CC(C)c1nn(N)c(=O)o1;HXHYPIPHKRCLNH-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319184;MM319184;C#CC#CC=CC1CC1O;KOSSOSYEXWKZEA-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319185;MM319185;CC(O)c1nn(N)c(=O)o1;NPSRVPOJKWOJII-UHFFFAOYSA-N;145.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319186;MM319186;CCC(=O)NNC(=N)NO;DAMVTMTUTUVVNB-UHFFFAOYSA-N;146.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319187;MM319187;CCON(C)C(=N)C(=O)O;BBCDJBWEQXFIHR-UHFFFAOYSA-N;146.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319188;MM319188;CNC(=N)NNC(=O)CN;NCKKZOGBEIFDGU-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319189;MM319189;CN=CN=c1[nH]oc(=O)o1;KBPNLLFOLGFQAI-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319190;MM319190;N=C(NO)NNC(=O)CN;FVGKMOXLECTIGH-UHFFFAOYSA-N;147.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319191;MM319191;CN(C)c1cn(C)c(=N)o1;LAIJBZSMWWDWIQ-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319192;MM319192;N=C(NN)NNC(=O)CO;CUOOQHRSVIKAHC-UHFFFAOYSA-N;147.14;-3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319193;MM319193;CC1(C)C(O)C1CCCO;KVERIQPAQVGUNB-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319194;MM319194;N=C(NO)NNC(=O)CO;QADBKNISWNIAJQ-UHFFFAOYSA-N;148.12;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319195;MM319195;CN(C)c1cn(C)c(=O)o1;SCOQFSGUKKJAQO-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319196;MM319196;CNC(=N)NNC(=O)CF;PFIIBYQWMKUESR-UHFFFAOYSA-N;148.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319197;MM319197;CN(C)c1cn(N)c(=O)o1;ZEJBWPNKYFHJGS-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319198;MM319198;CN(C)c1nn(C)c(=N)o1;CKLSAZIPVNGJEG-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319199;MM319199;N=C(NO)NNC(=O)CF;BQIFYJLGULWWAX-UHFFFAOYSA-N;150.11;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319200;MM319200;CCC(=O)NNC(=O)NC;OTDLYSLRDHFTGT-UHFFFAOYSA-N;145.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319201;MM319201;CN(C)c1nn(N)c(=N)o1;WMMOHOSZKGSRBS-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319202;MM319202;CC1C(CCCO)C1(C)O;UGSZPIASGCUVMQ-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319203;MM319203;NNC(=O)NNC(=O)CO;KTXFDSHOOZZAJO-UHFFFAOYSA-N;148.12;-2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319204;MM319204;CN(C)c1nn(C)c(=O)o1;SGHLRBNFZOHZPX-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319205;MM319205;O=C(CO)NNC(=O)NO;GNVDRSKMOOCZHI-UHFFFAOYSA-N;149.11;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319206;MM319206;CN(C)c1nn(N)c(=O)o1;ALNWATKUORXLTA-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319207;MM319207;O=C(CF)NNC(=O)NO;KHDCXWLZTCZYJX-UHFFFAOYSA-N;151.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319208;MM319208;CCC(=N)NNC(=N)OC;WVHBZGWUPZNHRV-UHFFFAOYSA-N;144.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319209;MM319209;C=NNC(=NC)C(=O)O;KURDKGJDVFSCSL-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319210;MM319210;C=C(C)C1=CN(C)C(=N)C1;IBWDRMHEKRIKMM-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319211;MM319211;COC(=N)NNC(=N)CO;XAVGYOIHACXCJR-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319212;MM319212;COC(=O)NNC(=N)CN;PEMIBEZNMQDSSN-UHFFFAOYSA-N;146.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319213;MM319213;N=C(N)C1=CN(O)C(=N)C1;XCSJOAMOFRGYDO-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319214;MM319214;COC(=O)NNC(=N)CO;WMFLORPYIMYKNW-UHFFFAOYSA-N;147.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319215;MM319215;C=C(C)C1=CN(C)C(=O)C1;OBOZLUUIXZUQHY-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319216;MM319216;N#CC#CCC(O)C1CC1;IWKYUVJACDTMAP-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319217;MM319217;C=C(C)C1=CN(N)C(=O)C1;AYRYMHRCWMYZTO-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319218;MM319218;C=C(C)c1cn(N)c(=O)[nH]1;UOBOLCSUAJQIJX-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319219;MM319219;CNC(=N)NNC(=N)NN;UNRLNOLSTVTAAK-UHFFFAOYSA-N;145.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319220;MM319220;CNC(=N)NNC(=N)NO;PWTGFFMDVSFXDA-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319221;MM319221;C=C(C)c1cn(C)c(=N)o1;FXSNTKNXQXMDTD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319222;MM319222;Cn1cc(C(=N)N)oc1=N;UUXLYVVTQPZAOF-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319223;MM319223;CNC(=N)NNC(=O)NN;YGEQLMBPZRICRU-UHFFFAOYSA-N;146.15;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319224;MM319224;CNC(=N)NNC(=O)NO;RODPLQDYMOIKDQ-UHFFFAOYSA-N;147.14;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319225;MM319225;N=C(N)c1cn(N)c(=N)o1;RNNCNDQDVPQWKY-UHFFFAOYSA-N;141.13;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319226;MM319226;N=C(N)c1cn(O)c(=N)o1;VSOPKODTTYSQIC-UHFFFAOYSA-N;142.12;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319227;MM319227;N=C(NN)NNC(=O)NN;SXNARZJSRRTZCK-UHFFFAOYSA-N;147.14;-2.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319228;MM319228;C=C(C)c1cn(C)c(=O)o1;RBRRNSUNQNJGTF-UHFFFAOYSA-N;139.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319229;MM319229;N=C(NN)NNC(=O)NO;OQFNGNRRDFOZND-UHFFFAOYSA-N;148.13;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319230;MM319230;CC(=O)c1cn(C)c(=O)o1;MFTSCLMSXCNTJV-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319231;MM319231;N=C(NO)NNC(=O)NN;VXENTQFLCBTWBY-UHFFFAOYSA-N;148.13;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319232;MM319232;Cn1cc(C(=N)N)oc1=O;MKOQDKNMPLHOEG-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319233;MM319233;CNC(=O)NNC(=O)NC;KEVMLDYEYQYFSV-UHFFFAOYSA-N;146.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319234;MM319234;C=C(C)c1cn(N)c(=O)o1;HDNOUFVAOIENFK-UHFFFAOYSA-N;140.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319235;MM319235;CNC(=O)NNC(=O)NN;GHWNXHNKAFYTBN-UHFFFAOYSA-N;147.14;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319236;MM319236;N=C(N)c1cn(N)c(=O)o1;JSCRVHSYOYLRIW-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319237;MM319237;NNC(=O)NNC(=O)NN;BGEVFSCRPUOYHH-UHFFFAOYSA-N;148.13;-2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319238;MM319238;C=C(C)c1nn(C)c(=N)o1;HRHUMVGTEFPOGM-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319239;MM319239;NNC(=O)NNC(=O)NO;JKCWGGDXEUKSQW-UHFFFAOYSA-N;149.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319240;MM319240;CON=COC(C)CC=O;IKBQPXIHRXNRPT-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319241;MM319241;O=C(NO)NNC(=O)NO;PKDHPGAEYQRTLU-UHFFFAOYSA-N;150.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319242;MM319242;C=C(C)c1nn(N)c(=N)o1;ZHKMPSPOMVRXOF-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319243;MM319243;CNC(=N)NNC(=N)OC;QPONKNJJGHVHIO-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319244;MM319244;CCCC(O)C=CCCO;DUZSFJDUMHYVJC-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319245;MM319245;COC(=N)NNC(=N)NN;DZUSFPZRSNKLMV-UHFFFAOYSA-N;146.15;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319246;MM319246;C=CCC(O)C=CCCO;DCDUAHIGBLFTDM-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319247;MM319247;COC(=N)NNC(=N)NO;ZKTZKBBUULLODL-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319248;MM319248;C=C(C)c1nn(C)c(=O)o1;LYGYENSQSIVAEU-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319249;MM319249;CNC(=N)NNC(=O)OC;UDQMFNDSZIJZBU-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319250;MM319250;CC(=O)c1nn(C)c(=O)o1;DWVORRYUVQCTBF-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319251;MM319251;COC(=O)NNC(=N)NN;JHTJXOHBLGNXJF-UHFFFAOYSA-N;147.14;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319252;MM319252;C=C(C)c1nn(N)c(=O)o1;CNWYZHGGGSMMCJ-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319253;MM319253;CCN=C(NN)C(=O)O;ANVAYVXIVQGGHF-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319254;MM319254;CNC(=O)NNC(=O)OC;ZSTHSCFVGSEXNL-UHFFFAOYSA-N;147.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319255;MM319255;CN(N)C=NOCC(=O)O;NKFGLWTXZMPAKQ-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319256;MM319256;COC(=O)NNC(=O)NN;IWYYOUQBMUPMCZ-UHFFFAOYSA-N;148.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319257;MM319257;C=c1cc(C(C)C)oc1=C;IPIVXQPFSIOJCF-UHFFFAOYSA-N;136.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319258;MM319258;COC(=O)NNC(=O)NO;BAMDFWLLBZEDRY-UHFFFAOYSA-N;149.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319259;MM319259;C=c1cc(C(C)N)oc1=C;GHGCRUQPDOJNCT-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319260;MM319260;COC(=O)NNC(=O)OC;BPJLPBVJCYVEAC-UHFFFAOYSA-N;148.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319261;MM319261;C=c1cc(C(C)O)oc1=C;CLZCTPPQOXLMNB-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319262;MM319262;OCC1=CCC(CF)CC1;DIZVIOGFLSMBHO-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319263;MM319263;C=C(C)C1=CC(=C)C(=O)C1;KWYCGQATNNRUEL-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319264;MM319264;O=CC1C=CC2(C=O)NC12;OOTRUEMIKNXLKF-UHFFFAOYSA-N;137.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319265;MM319265;C=C1C=C(C(C)=O)CC1=O;FWJLEBRSHCTMMJ-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319266;MM319266;C#CCCCCO;GOQJMMHTSOQIEI-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319267;MM319267;C=C1C=C(C(=N)N)CC1=O;PNZJVVAFWBXXFA-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319268;MM319268;CCC(=O)NOC(=O)CO;ZWXDVBLEZHDALY-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319269;MM319269;C=C(C)c1cc(=C)c(=C)o1;XFVZVWNJNGQRFA-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319270;MM319270;O=C(CO)NOC(=O)CO;JOBAFFKOZWULNG-UHFFFAOYSA-N;149.1;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319271;MM319271;C=c1cc(C(C)=O)oc1=C;UTZOJWGHLXBEDQ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319272;MM319272;CCC(=N)NOC(=N)NC;CQOILOIRPFODQS-UHFFFAOYSA-N;144.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319273;MM319273;C=c1cc(C(=N)N)oc1=C;YYSBXNZGGGDVHS-UHFFFAOYSA-N;136.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319274;MM319274;CCC(=N)NOC(=N)NN;WFKCSGOEJSUJQH-UHFFFAOYSA-N;145.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319275;MM319275;CC(C)=C1CC(=N)N(C)C1;UHERBWXQBMVHRR-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319276;MM319276;CNC(=N)ONC(=N)CN;KNAOMWITPKXVSP-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319277;MM319277;CC(C)=C1CC(=O)N(C)C1;JYGZFOYXTACQIQ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319278;MM319278;C=CC=CCCO;SAXBDVYNGGCITG-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319279;MM319279;CC(C)=C1CC(=N)N(N)C1;PUEQFBDBWXNOQT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319280;MM319280;CCC(=O)NOC(=O)NC;AKGMVDUNLAPECB-UHFFFAOYSA-N;146.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319281;MM319281;CC(C)=C1CC(=O)N(N)C1;URRQMUDEEXGXNY-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319282;MM319282;CCC(=O)NOC(=O)NN;QQPFZJZNEJIVPD-UHFFFAOYSA-N;147.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319283;MM319283;CC(C)=C1CN(O)C(=N)N1;IVDHRAPMGLEKAF-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319284;MM319284;C=C1CC(=C(C)C)CC1=C;ISEBRJRCDVQVBW-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319285;MM319285;NNC(=O)ONC(=O)CO;HGZLEOTWHNBMSD-UHFFFAOYSA-N;149.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319286;MM319286;NNC(=O)ONC(=O)CF;KGGDKELXBGAVPU-UHFFFAOYSA-N;151.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319287;MM319287;C=C1CC(=C(C)C)CC1=O;WGRTXSGMVJGTMY-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319289;MM319289;CC(C)=C1CC(=O)C(=O)C1;OESNFBMZONGNHP-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319288;MM319288;O=CC1CC=NN1;CQCWIPJKTGXKNX-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319290;MM319290;C=c1oc(=C(C)C)[nH]c1=N;SJVISRNHIATGAG-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319291;MM319291;COC(=O)ONC(=O)CO;KOELHTFXPROQJA-UHFFFAOYSA-N;149.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319292;MM319292;COC(=O)ONC(=O)CF;PFEONPOFKNOFKX-UHFFFAOYSA-N;151.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319293;MM319293;C=c1oc(=C(C)C)[nH]c1=O;FVENIHWDZFBKNM-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319294;MM319294;CNC(=N)NOC(=O)CN;IHBAWFMNFKVIJF-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319295;MM319295;C=c1oc(=C(C)F)[nH]c1=O;RPHJBUVRWSYOLP-UHFFFAOYSA-N;143.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319296;MM319296;N=C(NN)NOC(=O)CO;SZIDPVMFKWBQMN-UHFFFAOYSA-N;148.12;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319297;MM319297;C=c1oc(=C(C)C)cc1C;CLMVQKVSPDOVPI-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319298;MM319298;N=C(NN)NOC(=O)CF;ANHDCXNODWNRQJ-UHFFFAOYSA-N;150.11;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319299;MM319299;C=c1oc(=C(C)F)cc1C;YOHQLHTUBYHOJB-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319300;MM319300;NNC(=O)NOC(=O)CO;CHCWUGMGFMCLRT-UHFFFAOYSA-N;149.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319301;MM319301;C=c1oc(=C(F)F)cc1C;CAHCDNRREZVNJK-UHFFFAOYSA-N;144.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319302;MM319302;O=C(NO)NOC(=O)CO;GBHQJYKLFRQAQH-UHFFFAOYSA-N;150.09;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319303;MM319303;C=c1oc(=C(C)C)cc1F;FIIRITCNICTBAS-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319304;MM319304;CNC(=N)NOC(=O)NC;BXRKATPEKYZRRM-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319305;MM319305;C=c1oc(=C(C)F)cc1F;QLMODCCKBKQXSJ-UHFFFAOYSA-N;144.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319306;MM319306;N=C(NN)NOC(=O)NN;IPKPAUFMBZIOQD-UHFFFAOYSA-N;148.13;-2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319307;MM319307;C=c1oc(=C(F)F)cc1F;FQFNNIFLRIRVMC-UHFFFAOYSA-N;148.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319308;MM319308;OCC1=CCCC1;WJDFLCXFDSYKID-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319309;MM319309;C=C(C)C1CC(C)=C(C)C1;BDGJYCBTAKRNRI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319310;MM319310;NNC(=O)NOC(=O)NN;MWAFWWMXBMMHBG-UHFFFAOYSA-N;149.11;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319311;MM319311;C=C(C)C1CC(C)=C(F)C1;FXOPEMITMWZLSZ-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319312;MM319312;CNC(=O)ONC(=O)NO;PHAMEIAEDIAXNH-UHFFFAOYSA-N;149.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319313;MM319313;CC(=O)C1CC(C)=C(F)C1;RJGPEEMPKYCUML-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319314;MM319314;NNC(=O)ONC(=O)NO;KHDXHLCVCVOLSD-UHFFFAOYSA-N;150.09;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319315;MM319315;CC1=C(F)CC(C(=N)N)C1;ARVUVWSRXOHLBY-UHFFFAOYSA-N;142.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319316;MM319316;CNC(=N)NOC(=O)OC;NBNMQSODAYIFOQ-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319317;MM319317;CC(C)=C1CC(C)=C(C)C1;PFPLBGWLNYPDIF-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319318;MM319318;COC(=O)ONC(=N)NN;RBCHBVHPOGKSDO-UHFFFAOYSA-N;148.12;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319319;MM319319;CC(C)=C1CC(C)=C(F)C1;MENGPGGUBIQQDD-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319320;MM319320;COC(=O)ONC(=O)NN;CQJVXWGKFHKHPV-UHFFFAOYSA-N;149.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319321;MM319321;CC(C)=C1CC(F)=C(F)C1;QSRMCKZNZXXYKR-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319322;MM319322;COC(=O)ONC(=O)NO;XFLXARZIZLAQAR-UHFFFAOYSA-N;150.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319323;MM319323;CC(C)=C1CC(C)=C(C)O1;SARPACOEBBUTPQ-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319324;MM319324;CCC(=O)ONC(=N)OC;LHABDPLQYWWRIX-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319325;MM319325;CC(C)=C1CC(F)=C(C)O1;BHTUTFVZGOFBRY-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319326;MM319326;C=C(CO)C1CC1;WWAXQFRQYFASRI-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319327;MM319327;CC#CC12CC(C)C(C1)N2;RBCXYAQFHYXSGG-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319328;MM319328;CCC(=O)ONC(=O)OC;SZAOUNWTRVPMQH-UHFFFAOYSA-N;147.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319329;MM319329;CC#CC12CC(N)C(C1)N2;OTEANHZTXYQLBC-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319330;MM319330;COC(=O)NOC(=O)CO;NDXNEHAVPCSLHF-UHFFFAOYSA-N;149.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319331;MM319331;CC#CC12CC(O)C(C1)N2;ARJOWGABOXUQNV-UHFFFAOYSA-N;137.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319332;MM319332;C=C(C)C=CC(N)=O;LIWSYPQSMVHJBK-UHFFFAOYSA-N;111.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319333;MM319333;CC#CC12CC(N)C(C1)O2;YFZPFDYCJXWNLA-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319334;MM319334;C=CC#CCC(C)O;JIRQZFVPLDGMEB-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319335;MM319335;CC#CC12CC(O)C(C1)O2;IGXLAQPEDLRDBI-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319336;MM319336;COC(=O)NOC(=O)NN;UVINFVRPKASDCU-UHFFFAOYSA-N;149.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319337;MM319337;CC#CC12CC(=O)C(C1)C2;ZMIBIJKJFGAWDJ-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319338;MM319338;C=C(C)C=CCCO;VVZQRCBAVRTVLP-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319339;MM319339;CC#CC12CC(C1)C(=N)N2;HDAWFYAKRACSDD-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319340;MM319340;NN=CC=NN=CC(=O)O;PEISACQKEQPVNI-UHFFFAOYSA-N;142.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319341;MM319341;CC#CC12CC(C1)C(=O)N2;DKSLQKVLQPSXRJ-UHFFFAOYSA-N;135.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319342;MM319342;C=CC(=C)CCC(=C)CC;MGVNSDYYHIFCNE-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319343;MM319343;C=C1OC2(C#CC)CC1C2;NPNOFBGDMTXIPI-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319344;MM319344;C=C(C=O)CCC(=C)CC;SNPNIAFVPIDBPE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319345;MM319345;CC#CC12CC(C1)C(=O)O2;RSLTTXOYKXOJEB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319346;MM319346;C=C(C#N)CCC(=C)CC;HAAMZLCQPHYGCK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319347;MM319347;C=C1CC2(C#CC)CC1O2;MWTFRCRGFAYMSQ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319348;MM319348;C=CC(=C)CCC(=C)CN;KKYKIAKDTOTMAM-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319349;MM319349;CC#CC12C=C(C)C(C1)C2;OMYANGJJATXYHG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319350;MM319350;C=CC(=C)CCC(=C)CO;ZJXRXHWBZKLERD-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319351;MM319351;CC#CC12C=C(F)C(C1)C2;AYASKZBHYFTJMM-UHFFFAOYSA-N;136.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319352;MM319352;C=C(C#N)CCC(=C)CO;KCAKGXKVYPQHJG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319353;MM319353;CC#CC12C=C(F)C(C1)N2;OUHMDAMVRKDUPH-UHFFFAOYSA-N;137.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319354;MM319354;C=CC(=C)CCC(=C)CF;LFDWPGBJNOIOMH-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319355;MM319355;CC#CC12C=C(C)C(C1)O2;YWZOSAVJVHFLPA-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319356;MM319356;C=C(C#N)CCC(=C)CF;HYFCBYSDOGWFDK-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319357;MM319357;C=C(C)C12CC(=O)C(C1)C2;MQWDYGRSMVMUGB-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319358;MM319358;C=CC(=O)CCC(=C)CC;GAOWEIFUHOAQRK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319359;MM319359;CC12CC1CC1(F)C(N)C21;TUAOWQJTJUQLSC-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319360;MM319360;C=C(CC)CCC(=O)C#N;RSQQOOFACODOLX-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319361;MM319361;CC1C2C3(N)CC3CC12F;JWTKNQQADIWSTA-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319362;MM319362;C=CC(=O)CCC(=C)CF;SBJNLOQVLSZAEB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319363;MM319363;NC1C2C3(N)CC3CC12F;YLEQWDBKWXFEJE-UHFFFAOYSA-N;142.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319364;MM319364;C=C(CF)CCC(=O)C#N;VWSRRUCGIPGGNZ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319365;MM319365;CC12NC1CC1(N)C(O)C12;PTFRJRXSQTXOMI-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319366;MM319366;C=CC(=C)CCC(=O)CC;AXFIDTQMIGKOLI-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319367;MM319367;CC12NC1CC1(O)C(N)C12;RZLQAQSSRVPUOI-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319368;MM319368;C=C(C=O)CCC(=O)CC;NNGOJZCRFXCNSO-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319369;MM319369;CC12CC(N1)C1(N)C(O)C21;YEMYIERRGJXMJR-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319370;MM319370;C=C(C#N)CCC(=O)CC;BEPUCJQUBYTEAQ-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319371;MM319371;CC12CC(O1)C1(C)C(N)C21;IUMVYBZPSLUNEL-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319372;MM319372;C=C(C=O)CCC(=O)CO;MKGKBWCIINXTHN-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319373;MM319373;CC12CC(O1)C1(C)C(O)C21;XGDTUDRCHFCUDP-UHFFFAOYSA-N;140.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319374;MM319374;C=CC(=C)CCC(=O)CF;KYRKMLJEEHWYOW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319375;MM319375;Cc1cc2oc(=O)on2c1;KPZOOIFQMUYOOW-UHFFFAOYSA-N;139.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319376;MM319376;C=C(C#N)CCC(=O)CF;VIJTYJJSGNLBOD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319377;MM319377;O=CC(F)(F)C=CC(=O)O;GHVDEPACAATTLU-UHFFFAOYSA-N;150.08;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319378;MM319378;C=CC(=O)CCC(=O)CC;XFSWDAWCXKZKBZ-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319379;MM319379;ON=c1onnc(O)c1O;KWEUWTZPWUCJEW-UHFFFAOYSA-N;145.07;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319380;MM319380;CCC(=O)CCC(=O)C#N;MODOXWIRVJYIGY-UHFFFAOYSA-N;139.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319381;MM319381;C=CC(=O)C(=O)NOC;HZFDYVAJPCFDGT-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319382;MM319382;C=CC(=O)CCC(=O)CO;JSHBXOMVUSFKGI-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319383;MM319383;Cn1nc2nc(F)cc-2[nH]1;PCKVTMSKNIMMKV-UHFFFAOYSA-N;140.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319384;MM319384;O=CC(=O)CCC(=O)CO;YZFDRNBOFIWCPW-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319385;MM319385;Cn1nc2nc(O)nc-2[nH]1;RSPWRPXYAHJMNA-UHFFFAOYSA-N;139.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319386;MM319386;N#CC(=O)CCC(=O)CO;KKPUNDORZNETCG-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319387;MM319387;CC(C=O)C(O)C(=O)O;XROFVGARNAXRSF-UHFFFAOYSA-N;132.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319388;MM319388;C=CC(=C)CCC(=N)NC;WLGOOOYAOFZGEQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319389;MM319389;CC(=O)CC(O)C(=O)O;QTSNVMMGKAPSRT-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319390;MM319390;CN=C(N)CCC(=O)C=O;SEYZZRJUBIUMML-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319391;MM319391;C#CC(=CC(C)O)C(=O)O;MBFDGOIZTGTFMJ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319392;MM319392;CN=C(N)CCC(=O)C#N;RKWIMFLPFORFBS-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319393;MM319393;O=C(O)C(F)C=CCO;VVNWRHQZVRASQN-UHFFFAOYSA-N;134.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319394;MM319394;C=C(F)C=CCCO;NCHUNCUOIDROSV-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319395;MM319395;C=c1cc2c(o1)=CC(C)O2;VPXXGUMMEDQKMT-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319396;MM319396;C=CC(C#CC)CO;JRWSFJWUXBSENB-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319397;MM319397;C=c1cc2c(o1)=CC(=O)N2;QDGFFYPOWAYFCM-UHFFFAOYSA-N;135.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319398;MM319398;C#CC(=CC)C(C)O;RQOCYAOUUVJMOH-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319399;MM319399;C=c1cc2c(o1)=CC(=O)O2;LYNLDHFVIKZPLS-UHFFFAOYSA-N;136.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319400;MM319400;C=C(C=O)CCC(=O)NC;BYNYPRPNABZNBC-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319401;MM319401;C=c1cc2c(o1)=CC(C)=C2;PSTOKXQXWPYJDI-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319402;MM319402;CON=CNCC=O;MVYXSHHEPFYJLA-UHFFFAOYSA-N;116.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319403;MM319403;C=c1cc2c(o1)=CC(F)=C2;LWNJQYUKDFUMBV-UHFFFAOYSA-N;136.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319404;MM319404;C=CC(=C)CCC(=O)NO;HPNDSOOVCQWJFA-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319405;MM319405;O=c1oc2oc(=O)oc2o1;IVBOIXXTONSRQN-UHFFFAOYSA-N;144.04;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319406;MM319406;C=CC(=C)CCC(=C)OC;WXIMIMDZOZNUBH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319407;MM319407;CC(O)C(C#N)=NO;OOFVXKRXJMMKIJ-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319408;MM319408;C=C(C=O)CCC(=C)OC;USKQKQZSTAAUPR-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319409;MM319409;CC1C2CC3(C)CC3(C)C12;WYKSXTKBYJAXBB-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319410;MM319410;C=C(C#N)CCC(=C)OC;MUFSTTXHAOQJAK-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319411;MM319411;CC1C2CC3(C)CC3(N)C12;WARXQYPZARNJBK-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319412;MM319412;C=CC(=O)CCC(=C)OC;CSJUTJWXCYNLOG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319413;MM319413;C=NNC(C)C=CCCO;HSENXYGSNIVULR-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319414;MM319414;C=CC(=C)CCC(=O)OC;GNRWSTDGVQKCPK-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319415;MM319415;CCC(C)(CC)C(C)CN;IQBBRSGHJYKPSR-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319416;MM319416;C=C(C#N)CCC(=O)OC;KGLZZYNXWNPWPS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319417;MM319417;CC=CC(O)C=CCCO;PHGHUBSVVKSXOG-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319418;MM319418;C=CC(=O)CCC(=O)OC;UKFUUADXTLBDMN-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319419;MM319419;CCC(C)(CC)C(C)CF;FLSZTPOLIPWPSO-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319420;MM319420;C=CC(=N)NCC(=C)CC;IACFLZXEXZPJKQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319421;MM319421;CCC(C)(CN)C(C)CN;NPWMJKFMYMFJPR-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319422;MM319422;C=CC(=N)NCC(=C)CO;MLBPPLWSKKGBPV-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319423;MM319423;CCC(C)(CF)C(C)CN;DVSQPIARCZGDFS-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319424;MM319424;CC=CC=CCCO;WOWTZARDJWWOTN-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319425;MM319425;CC(CN)C(C)(CN)CN;DGCXKURQOVPXKC-UHFFFAOYSA-N;145.25;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319426;MM319426;C=CC(=N)NCC(=C)CF;MHKRCHZUPJEBOF-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319427;MM319427;CC(CF)C(C)(CN)CN;HCWAPUWMJJGZMS-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319428;MM319428;C=C(CC)CNC(=O)C#N;IEHBGYMBIFHITQ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319429;MM319429;CCC(C)C(C)(CN)CF;RONCLHORBUAJFO-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319430;MM319430;C=CC(=O)NCC(=C)CN;MRAAULHJLWQSIH-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319431;MM319431;CC(CF)C(C)(CN)CF;UOTNPWPSZRPTOT-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319432;MM319432;C=C(CO)CNC(=O)C=O;HOWUQNOMXDLUOQ-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319433;MM319433;CC(CN)C(C)(CF)CF;DZTYSCUEDINVFC-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319434;MM319434;OCCC=CC=CF;YISKZKBFZNKIIV-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319435;MM319435;CCC(C)(CN)C(N)CN;SRXHSJPZXLDDSR-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319436;MM319436;C=CCC(=C)CC(N)=O;LCLXMDFKEQXFCL-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319437;MM319437;CCC(C)(CO)C(N)CO;KVOXORVPLFPQAO-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319438;MM319438;C=CC=C(C)CC(N)=O;DNNYBNXAMDQHBM-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319439;MM319439;CCC(C)(CF)C(N)CF;LUZKOGDROYMTLF-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319440;MM319440;C=CC(=N)NCC(=O)CF;SHSFQFMAPFXXOT-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319441;MM319441;CCC(N)C(C)(CO)CO;VGDPAOPGMCEMKF-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319442;MM319442;C#CC(=C)C=CC(C)O;XRDYCKFECUCXFB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319443;MM319443;CC(CO)(CO)C(N)CO;ZJJJYCXFWKVIAF-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319444;MM319444;C=CC(C)=CCC(N)=O;MBKPDBALFPOFGI-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319445;MM319445;CC(CF)(CF)C(N)CN;YEQWJNDHCSMIHJ-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319446;MM319446;C#CC(=CC(C)O)CC;LCANLNQDJJMYAP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319447;MM319447;CC(CF)(CF)C(N)CF;NINXVPKZMMGEBL-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319448;MM319448;CCC(=O)CNC(=O)C=O;UUFIMSKTCSVZHZ-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319449;MM319449;CCC(C)(CC)C(O)CO;BXCNIEYQAUGPAW-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319450;MM319450;N#CC(=O)NCC(=O)CO;BKFKOYTXZWPLAE-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319451;MM319451;CCC(C)(CN)C(O)CO;JFNBMZPQNBTYQB-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319452;MM319452;C=CC(=N)NCC(=N)NC;WCIFCYNTWRRONW-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319453;MM319453;CCC(C)(CO)C(O)CN;NZYRYIXHCGWVFB-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319454;MM319454;CNC(=N)CNC(=N)C#N;LCGXVYPVNCVURB-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319455;MM319455;CCC(O)C(C)(CN)CO;CXNQFTGQFYTMSU-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319456;MM319456;C=CC(=N)NCC(=N)NN;PVTNQWCMWQXXOL-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319457;MM319457;CC(CO)(CO)C(O)CN;UOBLGEZOJNLOSX-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319458;MM319458;C=CC(=N)NCC(=N)NO;LLJPYMYFZSBRGH-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319459;MM319459;CC(CO)(CO)C(O)CO;SOROVGRPYBEOGR-UHFFFAOYSA-N;150.17;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319460;MM319460;N#CC(=N)NCC(=N)NO;LVWVUTFJHPVUEE-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319461;MM319461;CC(CO)(CO)C(O)CF;RIELCXRBXSPDEN-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319462;MM319462;CN=C(N)CNC(=O)C#N;BMNUFVGCLMOQDP-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319463;MM319463;CC(CF)(CF)C(O)CN;CONBJTRQNNAPTR-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319464;MM319464;NC(CNC(=O)C=O)=NO;QGKUNUQTJGUHHY-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319465;MM319465;CC(CF)(CF)C(O)CO;OBFDTFYTOHJTCJ-UHFFFAOYSA-N;154.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319466;MM319466;N#CC(=O)NCC(N)=NO;VFKXFHOWQJKJJM-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319467;MM319467;CC(CF)(CF)C(O)CF;NIVWNCMOUIFLSM-UHFFFAOYSA-N;156.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319468;MM319468;CC(F)=CC=CCCO;CCJITLDKUCRRAQ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319469;MM319469;CCC(F)C(C)(CC)CN;VQPATPGPUQVMLN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319470;MM319470;C=CC(N)=NCC(=O)NN;RNMJLZKSKIXKSU-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319471;MM319471;CCC(C)(CN)C(F)CN;FORDMNZOCPPOLI-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319472;MM319472;CCC(C)(CN)C(F)CF;BCDSKPRANDEMLE-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319473;MM319473;NC(C=O)=NCC(=O)NO;UGHNVLZXHINNNK-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319474;MM319474;CC(CO)(CO)C(F)CO;NYUQPIVSTCMBHX-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319475;MM319475;N#CC(N)=NCC(=O)NO;CLUQXEBTJLSSFP-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319476;MM319476;CC(CF)(CF)C(F)CN;CVFGLMGRQOZRMY-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319477;MM319477;C=CC(=O)NCC(=O)NC;BJSLYVAQHMBTCU-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319478;MM319478;CC(CF)(CF)C(F)CO;NHWUDIDHOSUYEC-UHFFFAOYSA-N;156.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319479;MM319479;C=CC(=N)NCC(=C)OC;IXKUWVQODGWUGH-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319480;MM319480;CCC(N)(CF)C(C)CF;VOHUHNZDAFDWQC-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319481;MM319481;C=C(CNC(=N)C#N)OC;OJZYUGFQPDHAJC-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319482;MM319482;C=NOC(C)CCC=O;VJYIIIBFUXLLRO-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319483;MM319483;CCC(C)C(N)(CN)CN;MFMGUFXIFUATCX-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319484;MM319484;COC(=O)CN=C(N)C=O;QNADWXQWUHZYRS-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319485;MM319485;CC(CF)C(N)(CN)CN;AJYSUUMKMQDCNS-UHFFFAOYSA-N;149.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319486;MM319486;C=CC(=C)OCC(=C)CC;SAJJEXRVWXBHNX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319487;MM319487;CC(CN)C(N)(CF)CF;YQJYKPOVFJNBMI-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319488;MM319488;C=C(CC)COC(=C)C#N;MZKVCMIXIQAOFI-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319489;MM319489;CCC(N)(CC)C(N)CN;ZOZPLYPUESYTRZ-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319490;MM319490;C=CC(=C)OCC(=C)CO;XJHUIVDMJHUTGT-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319491;MM319491;CCC(N)(CC)C(N)CO;RODUVTSJZGLLFW-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319492;MM319492;C=CC(=C)OCC(=C)CF;PATNRXOEOFTXFF-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319493;MM319493;CCC(N)C(N)(CC)CN;IOAPMBLSQHPDJC-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319494;MM319494;C=CC(=O)OCC(=C)CC;CZAMQSQDPRYKPS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319495;MM319495;NCC(N)(CO)C(N)CO;JFBAAVOAXQYLQM-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319496;MM319496;C=C(CC)COC(=O)C#N;YFVUFFYBDNGCBU-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319497;MM319497;NC(CO)C(N)(CO)CO;JPOLERDZIYQAKD-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319498;MM319498;C=C(CO)COC(=O)C=O;NHEIQJYICCYBMU-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319499;MM319499;CCC(N)(CC)C(O)CO;VCJAYTJSUOQNEX-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319500;MM319500;C=C(CF)COC(=O)C#N;APBCWSZFRLHPPU-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319501;MM319501;NCC(O)C(N)(CN)CO;WGSFBURBJJLENH-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319502;MM319502;C=CC(=C)OCC(=O)CC;IYJRYBRKBKIJFQ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319503;MM319503;NCC(N)(CO)C(O)CO;QAHMHXJMURRQHH-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319504;MM319504;C=C(C#N)OCC(=O)CC;YQYLKLLLCJUDSW-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319505;MM319505;NCC(O)C(N)(CO)CO;OJDCXXWHFGZTAJ-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319506;MM319506;C=C(C#N)OCC(=O)CO;MLDYJIDTALZTBT-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319507;MM319507;NC(CO)(CO)C(O)CO;CZLBVYVJOLNEHV-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319508;MM319508;C=CC(=C)OCC(=O)CF;CIWQWVFUPQLVOI-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319509;MM319509;CCC(N)(CN)C(F)CF;XIIKAFSZJGUDAZ-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319510;MM319510;C=CC(=O)OCC(=O)CC;PVCCWOZYSQKFNE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319511;MM319511;CCC(O)(CN)C(C)CO;UJYDZJUHWDAURB-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319512;MM319512;N#CC(=O)OCC(=O)CO;NCKKCBRIZQYLLG-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319513;MM319513;CCC(O)(CO)C(C)CN;INWXMFPVHMCSLW-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319514;MM319514;C=CC(=C)OCC(=N)NN;PARCNGKCLRAIRM-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319515;MM319515;CCC(C)C(O)(CN)CO;WWPAFGOJJZIWRB-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319516;MM319516;C=C(C=O)OCC(N)=NO;ZKDDTPODIYRLCY-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319517;MM319517;CCC(O)(CC)C(N)CN;RADAXFAWQHRENO-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319518;MM319518;C=CC(=O)OCC(N)=NC;UYXCHSNDRDVSJD-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319519;MM319519;CCC(O)(CC)C(N)CO;BUSQRSKEROEZSI-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319520;MM319520;CN=C(N)COC(=O)C=O;KNGNCPHVJBMMSN-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319521;MM319521;CCC(O)(CC)C(N)CF;YBFCULGREZCEFN-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319522;MM319522;C=CC(=O)OCC(N)=NO;YWIBFGBVLRMKIE-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319523;MM319523;NCC(O)(CN)C(N)CO;NQPCJHLDAWBPQR-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319524;MM319524;NC(COC(=O)C=O)=NO;DGJWDFKYCKPVJO-UHFFFAOYSA-N;146.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319525;MM319525;NCC(O)(CO)C(N)CO;ONAXOJVJIXKRNK-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319526;MM319526;C=CC(=C)OCC(=O)NC;QKXXALQWIFTKQT-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319527;MM319527;NC(CO)C(O)(CO)CO;CSEFQUZVEQTTHQ-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319528;MM319528;C=C(C=O)OCC(=O)NO;WKMNZQUMINFWGV-UHFFFAOYSA-N;145.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319529;MM319529;CCC(O)C(O)(CC)CN;TXWQQIWCVPZMML-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319530;MM319530;CNC(=O)COC(=O)C=O;SVDQJDNGRIQCBG-UHFFFAOYSA-N;145.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319531;MM319531;NCC(O)C(O)(CN)CN;DRZKYTIMJFNGAV-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319532;MM319532;C=CC(=C)OCC(=C)OC;OYJXUWOTQSEBNM-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319533;MM319533;NCC(O)(CN)C(O)CO;ZHKPEKSHQLFFLR-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319534;MM319534;C=C(C=O)OCC(=C)OC;DZGHWNIEHPKHLF-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319535;MM319535;NCC(O)C(O)(CN)CO;LUSNDMPUEBGVAA-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319536;MM319536;C=C(C#N)OCC(=C)OC;VJBKIMSIVGIOFG-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319537;MM319537;NCC(O)(CO)C(O)CO;UCMFDCZBFHGICK-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319538;MM319538;C=CC(=O)OCC(=C)OC;XWNGWKRBMPRSTQ-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319539;MM319539;NCC(O)C(O)(CO)CO;GRJYCUXQJJMRKX-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319540;MM319540;C=C(COC(=O)C#N)OC;VPIJKJXCIANKML-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319541;MM319541;OCC(O)C(O)(CO)CO;SDXWEZQDLHNYFR-UHFFFAOYSA-N;152.15;-2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319542;MM319542;COC(=O)COC(=O)C=O;ZFVABQYLFSBSEO-UHFFFAOYSA-N;146.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319543;MM319543;OCC(O)(CO)C(O)CF;XIMJUQXUUMHDKE-UHFFFAOYSA-N;154.14;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319544;MM319544;C=CC(=C)CNC(=N)CC;ZMAXGLAZJRFFGR-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319545;MM319545;CCC(O)(CC)C(F)CN;KCKYVMAXXQSHQS-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319546;MM319546;C=C(C=O)CNC(=N)CC;VECSGPAGKXCGJZ-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319547;MM319547;C=C(C=O)CN=C(N)CO;MMHHAHJCFVHZCT-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319548;MM319548;OCC(F)C(O)(CO)CO;PDKBRKOKYGXXOY-UHFFFAOYSA-N;154.14;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319549;MM319549;C=C(C#N)CNC(=N)CO;IKXBMSXDUKNQCQ-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319550;MM319550;CCC(F)C(O)(CO)CF;VJWWMHVMGVSMGG-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319551;MM319551;C=CC(=O)CNC(=N)CC;LHKDRDVRYLAALP-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319552;MM319552;CCC(F)(CC)C(C)CN;AIOUKIYMAIODTO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319553;MM319553;CCC(=N)NCC(=O)C=O;FLCXJGCNKROFEQ-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319554;MM319554;CC(CF)C(F)(CN)CN;XBQCKYZEJKDDNY-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319555;MM319555;N#CC(=O)CN=C(N)CO;YYPKMXSGSXSCRX-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319556;MM319556;CC(CN)C(F)(CN)CF;LGNJOYVQMKIYQF-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319557;MM319557;C=C(C=O)CNC(=O)CC;DGHGCPQSLDHXNQ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319558;MM319558;CC(CO)C(F)(CO)CO;LHOQEWPKRCIKRO-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319559;MM319559;C=CC(=C)CNC(=O)CO;GDBSQOGJUVRCHS-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319560;MM319560;CCC(F)(CN)C(N)CF;ZTJZKJVSPGFICR-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319561;MM319561;C=C(C=O)CNC(=O)CO;ZCGVRIAEZAALGF-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319562;MM319562;CCC(F)(CC)C(O)CO;DBZQZDBOQUVBPW-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319563;MM319563;C=C(C#N)CNC(=O)CO;CCGJGCDHNKFNIV-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319564;MM319564;CCC(C)(CN)C(C)NC;WEJSATVAHPOZAW-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319565;MM319565;C=CC(=O)CNC(=O)CO;SFJQRPYEJQVZGL-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319566;MM319566;CCC(C)(CF)C(C)NC;VCOYVJZGEXDMGD-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319567;MM319567;C=CC(=C)CNC(=N)NC;ANBZHAZVWCOZGB-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319568;MM319568;CNC(C)C(C)(CN)CN;RLESSIGIRKTOLT-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319569;MM319569;C=C(C=O)CNC(=N)NC;KPPCXKXEASNGBF-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319570;MM319570;CCC(N)(CN)C(C)NC;OYFSGVGHWLJHOO-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319571;MM319571;C=C(C=O)CNC(=N)NO;BFLFAEQHYGUIAY-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319572;MM319572;CCC(O)(CO)C(C)NC;FBCUMGPVEQOCBT-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319573;MM319573;C=C(C#N)CNC(=N)NO;WZXIXXDTZGXBKL-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319574;MM319574;COC(C)C(C)(CN)CO;YFJHUXLDLKANDE-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319575;MM319575;C=CC(=O)CNC(=N)NC;JCEOKPUENZRNPC-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319576;MM319576;CNC(=N)NCC(=O)C#N;PGNVSZTURIDCNM-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319577;MM319577;COC(C)C(C)(CO)CO;DZWKTBGYNOLFFA-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319578;MM319578;C=CC(=O)CNC(=N)NO;SHOKQZJJQAAMHW-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319579;MM319579;CCC(O)(CN)C(C)OC;MUHGWFZTRNEGLD-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319580;MM319580;N=C(NO)NCC(=O)C=O;OTTYYDPADMVCPN-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319581;MM319581;COC(C)C(O)(CO)CO;ANRZISIRZYORDB-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319582;MM319582;C=C(C=O)CNC(=O)NC;PSAODQFXOLOQNO-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319583;MM319583;CCC(F)(CN)C(C)OC;OPJUGKGSLHIBLG-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319584;MM319584;C=C(C=O)CNC(=O)NO;CVAIVLHVBIUQKA-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319585;MM319585;CCC(C)(NC)C(C)CN;NJLRHHCUXGISHE-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319586;MM319586;C=C(C#N)CNC(=O)NO;OFQQSJSXJCKYTL-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319587;MM319587;CCC(C)(NC)C(C)CF;QURAWRMSLCHCQC-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319588;MM319588;C=CC(=O)CNC(=O)NC;KEJXEKFSXAMMIT-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319589;MM319589;CNC(C)(CN)C(C)CF;DFKYZKWYDNLOOJ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319590;MM319590;CNC(=O)NCC(=O)C=O;YJGZULBWDINEFC-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319591;MM319591;CNC(C)(CF)C(C)CF;DHKVABZEOYYKFO-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319592;MM319592;C=CC(=O)CNC(=O)NO;RVDOPNUGRJEJHH-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319593;MM319593;CCC(C)(NC)C(N)CN;LSPIZYBGNUBJCC-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319594;MM319594;O=CC(=O)CNC(=O)NO;MBIATALWUVHJIP-UHFFFAOYSA-N;146.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319595;MM319595;CCC(N)C(C)(CO)NC;AXHJXKKHLDTLOF-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319596;MM319596;C=C(C=O)CNC(=N)OC;BHIXVONSGSOFQI-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319597;MM319597;CNC(C)(CO)C(N)CO;SUHRGKVDNXNTKP-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319598;MM319598;C=C(C=O)CNC(=O)OC;YJWYXCQAZGFJOH-UHFFFAOYSA-N;143.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319599;MM319599;CNC(C)(CF)C(N)CF;XJEAXESDERBXAU-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319600;MM319600;C=CC(=N)NNC(=N)CC;TVLVTPLPYPDLPN-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319601;MM319601;CCC(C)(NC)C(O)CN;AAPYGVOSAKEKMQ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319602;MM319602;CCC(=N)NNC(=N)C#N;UFRIIPROSPSDJM-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319603;MM319603;CCC(C)(NC)C(O)CO;ZUROXTLQOWRLJL-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319604;MM319604;C=CC(=N)NNC(=N)CN;XXXVYARLJJSPMD-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319605;MM319605;C=CC(=N)NNC(=N)CO;SKQAHRAUEVEADK-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319606;MM319606;CCC(O)C(C)(CO)NC;VRHQZGWAIVJOGK-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319607;MM319607;N#CC(=N)NNC(=N)CO;UFCODJRJJPYVMA-UHFFFAOYSA-N;141.13;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319608;MM319608;CNC(C)(CO)C(O)CN;DJBZTBFCYMJFHD-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319609;MM319609;C=CC(=N)NNC(=N)CF;IWWXSBXNWPQPLZ-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319610;MM319610;CCC(C)(NC)C(F)CF;QOKBCPIJSCGRDC-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319611;MM319611;C=C(C=CCCO)CC;ODVAJBHQUBGAKN-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319612;MM319612;CNC(C)(CN)C(F)CF;RPCDBNQGJMOWDN-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319613;MM319613;C=CC(=O)NNC(=N)CC;WUZSAHJGCUYWTO-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319614;MM319614;CCC(C)(NC)C(C)NC;DQPKEKVLYNWMPD-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319615;MM319615;CCC(=N)NNC(=O)C=O;VRIYSPKQXVTLAX-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319616;MM319616;CNC(C)(CN)C(C)OC;LSDUXDVSHQLROP-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319617;MM319617;CCC(=N)NNC(=O)C#N;VKCOTKMZDSVCMV-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319618;MM319618;COC(C)(CN)C(C)CO;NWTQPBNNEIKNHP-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319619;MM319619;NC(CO)=NNC(=O)C=O;CZTMFRPMLSEQBI-UHFFFAOYSA-N;145.12;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319620;MM319620;COC(C)(CO)C(C)CN;XCUZTEWHCMDLPS-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319621;MM319621;N=C(C=O)NNC(=O)CF;ZYNDABIZBUDJHY-UHFFFAOYSA-N;147.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319622;MM319622;CCC(N)C(C)(CO)OC;BAVTUCTWBNGNIF-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319623;MM319623;N#CC(=N)NNC(=O)CF;VKPOLVXDHHCFFO-UHFFFAOYSA-N;144.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319624;MM319624;COC(C)(CO)C(N)CO;PWFYEZCJKQZHRR-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319625;MM319625;CCC(=O)NNC(=O)C=O;BELAOWFUAFIWDG-UHFFFAOYSA-N;144.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319626;MM319626;COC(C)(CO)C(O)CN;MSIZFJIBPUCUGM-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319627;MM319627;O=CC(=O)NNC(=O)CO;BNJVGVMEWHULLB-UHFFFAOYSA-N;146.1;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319628;MM319628;COC(C)(CO)C(O)CO;MKHCYNAWYXLWPS-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319629;MM319629;C=CC(=N)NNC(=N)NC;QUPMDKVTZWCBIH-UHFFFAOYSA-N;141.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319630;MM319630;CNC(C)C(C)(CO)OC;VNVVQJLASLLGPM-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319631;MM319631;CNC(=N)NNC(=N)C#N;JQNPRYQLOOJDDX-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319632;MM319632;COC(C)(OC)C(N)CO;BTBIFJLQKWNLFS-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319633;MM319633;C=CC(=O)NNC(=N)NC;QXQUZRHUZJRKAI-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319634;MM319634;CCC(O)C(C)(OC)OC;UTPAAPLZIDSNEF-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319635;MM319635;CNC(=N)NNC(=O)C=O;PFWWQXZRJMYCJH-UHFFFAOYSA-N;144.13;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319636;MM319636;COC(C)(OC)C(O)CN;SMQIPKHJCGTFOV-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319637;MM319637;C=CC(=O)NNC(=N)NN;HQQBGFVCUXMFJQ-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319638;MM319638;CNC(C)C(C)(OC)OC;KESJINYIYDDUSM-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319639;MM319639;C=CC(=O)NNC(=N)NO;PFFLBQXGTKFEEP-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319640;MM319640;COC(C)C(C)(OC)OC;GZMIPUFDGGZQCD-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319641;MM319641;N=C(NO)NNC(=O)C=O;KXSWXXBVHMUMSK-UHFFFAOYSA-N;146.11;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319642;MM319642;CCN(C)C(C)(CC)CN;MJGVIHKBLZPHDF-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319643;MM319643;C=CC(=N)NNC(=O)NC;GEDAMQYKAPRGOU-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319644;MM319644;C=CC(C)C(C)(CC)CC;RDQHPQAJTZBSFV-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319645;MM319645;CNC(=O)NNC(=N)C#N;XMSTZLAUWNZEGF-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319646;MM319646;C=CC(=N)NNC(=O)NN;KAZMQGVLSJOGKQ-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319647;MM319647;CCC(C)(CC)C(C)C=O;NVPGJIUHGVYMCC-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319648;MM319648;N#CC(=N)NNC(=O)NO;MWICHVYHHQDFAG-UHFFFAOYSA-N;143.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319649;MM319649;CCC(C)(CC)C(C)C#N;VRTZLITWKNRBNW-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319650;MM319650;C=CC(=O)NNC(=O)NC;XUPVLJNCNYJQQZ-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319651;MM319651;C=CC(C)C(C)(CN)CN;VUXZFEUJMUDSGB-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319652;MM319652;C=CC(=O)NNC(=O)NN;XFQYRVHRFKEGGT-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319653;MM319653;C=CC(C)C(C)(CN)CF;USQUJVMXLFDUAK-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319654;MM319654;C=CC(=O)NNC(=O)NO;GHIIONURQNJLJZ-UHFFFAOYSA-N;145.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319655;MM319655;C=CC(N)C(C)(CC)CN;BWKDQKSLZNAQKO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319656;MM319656;O=CC(=O)NNC(=O)NO;AIOVWRYDKFDYGT-UHFFFAOYSA-N;147.09;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319657;MM319657;C=CC(N)C(C)(CC)CF;MZOHEONEZLIZPK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319658;MM319658;C=CC(=N)NNC(=O)OC;FMQMHUZJUKBIHG-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319659;MM319659;C=CC(N)C(C)(CN)CF;HLQLETLKOKJMFB-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319660;MM319660;C=C(C=CCCO)OC;WZVIPWSOCLWWAG-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319661;MM319661;C=CC(N)C(C)(CF)CF;QONHAFBCBVMSQI-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319662;MM319662;C=CC(=C)C=CCCO;MUDCRAPFVQKUAH-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319663;MM319663;CCC(C)(CC)C(O)C=O;BHHCQLSOTFJVMD-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319664;MM319664;C=C(C#N)C=CCCO;HGCGDSLVUBNMJU-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319665;MM319665;CCC(C)(CO)C(O)C=O;MRRLCGGZQWBIDG-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319666;MM319666;N#CC(=O)C=CCCO;GTGIZVXOIZHEMJ-UHFFFAOYSA-N;125.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319667;MM319667;C=CC(F)C(C)(CN)CN;HVWXRCJJALJLRI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319668;MM319668;CCC(=O)NOC(=O)C=O;SLLMXPDBARZGRB-UHFFFAOYSA-N;145.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319669;MM319669;C=CC(F)C(C)(CN)CF;IPEODSGKXMAAKI-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319670;MM319670;C=CC(=O)ONC(=O)CF;KDVWRHWLCCAERS-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319671;MM319671;CC(CO)(CO)C(F)C#N;ZKQSTPIRBXETMT-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319672;MM319672;CNC(=N)NOC(=O)C=O;KQEUPCWBMJEYFC-UHFFFAOYSA-N;145.12;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319673;MM319673;C=CC(C)C(N)(CC)CC;ZIBRKAGHBFYQRX-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319674;MM319674;C#CC(=C)C=CCCO;MGJADMZEFJGPHG-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319675;MM319675;C=CC(C)C(N)(CC)CN;OVKXXWCNKSBRQN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319676;MM319676;CNC(=O)NOC(=O)C=O;HWFLYYWLZLJLLN-UHFFFAOYSA-N;146.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319677;MM319677;O=CC(=O)ONC(=O)NO;RNPQOVWHQRJPTI-UHFFFAOYSA-N;148.07;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319678;MM319678;C=CC(C)C(N)(CC)CF;BSDHCROYNHUNRF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319679;MM319679;COC(=N)NOC(=O)C=O;UOUBVYZLSVDWJU-UHFFFAOYSA-N;146.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319680;MM319680;C=CC(C)C(N)(CN)CF;KERVUEACEBOWBC-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319681;MM319681;C=CC(=C)COC(=C)CC;DWWRWSNRXKBXGQ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319682;MM319682;C=CC(N)C(N)(CC)CC;KGACDISVCHNLFC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319683;MM319683;C=C(C=O)COC(=C)CC;OMNHPLOVZGFLSU-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319684;MM319684;C=CC(F)C(N)(CC)CN;VDEGOOPEAPEICF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319685;MM319685;C=C(C#N)COC(=C)CC;LGZJDIUCVLZVHF-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319686;MM319686;C=CC(C)C(O)(CN)CF;MPFOFXLQZBLREP-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319687;MM319687;C=CC(=C)COC(=C)CN;LQBQHRXCIDUACJ-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319688;MM319688;C=CC(N)C(O)(CC)CF;YTSJQZONRKTPHO-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319689;MM319689;C=CC(=C)COC(=C)CO;QAXJAQLBVOWWCL-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319690;MM319690;CCC(O)(CO)C(O)C#N;VUWBPEWVODSEDO-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319691;MM319691;C=CC(=O)COC(=C)CC;YTXKAIHQXCTSKS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319692;MM319692;CCC(O)(CF)C(O)C=O;FHWNKBBRHBPHTE-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319693;MM319693;C=CC(=O)COC(=C)CO;YSZYHHZSJNQDHZ-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319694;MM319694;CCC(O)(CF)C(O)C#N;UYSIKHIFKNEBEW-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319695;MM319695;C=C(CO)OCC(=O)C#N;MKNZPFCTPLWFFD-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319696;MM319696;C=CC(O)C(O)(CO)CO;SFRMDOHNFYAUFN-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319697;MM319697;C=CC(=C)COC(=O)CC;VZWLIDNYKXLDIF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319698;MM319698;O=CC(O)C(O)(CO)CO;AVGPOAXYRRIZMM-UHFFFAOYSA-N;150.13;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319699;MM319699;C=C(C#N)COC(=O)CC;VNIZRBPGSSXYIH-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319700;MM319700;N#CC(F)C(O)(CO)CO;QWKGTODFCVJUCY-UHFFFAOYSA-N;149.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319701;MM319701;C=C(C=O)COC(=O)CO;FALJAKIPMUNDMN-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319702;MM319702;C=CC(C)C(F)(CN)CF;WAVQYYMRCDUPLR-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319703;MM319703;C=CC(=C)COC(=O)CF;YABFCEAZJCMXGP-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319704;MM319704;C=CC(N)C(F)(CC)CN;LNYBFAYZNURKCQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319705;MM319705;C=CC(=O)COC(=O)CC;XBLFCSUMXUIYKO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319706;MM319706;CCC(F)(CO)C(O)C=O;ZASRBHOWEWJLGA-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319707;MM319707;CCC(F)(CF)C(O)C=O;JEKRUZBCZBBXQS-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319708;MM319708;C=CC(=O)COC(=O)CO;ALBMVOBDCKGBDZ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319709;MM319709;C=CC(O)C(F)(CO)CO;PDMRJNIYORFWQK-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319710;MM319710;N#CC(=O)COC(=O)CO;DNEXIQNWXCLBCH-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319711;MM319711;C=CC(C)C(C)(CC)NC;MISAKXZDWWNOCG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319712;MM319712;CNC(=N)OCC(=O)C#N;UOXXNVXPZACWNT-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319713;MM319713;CCC(C)(NC)C(C)C=O;XJDHGMORHZGHMO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319714;MM319714;C=C(C=O)COC(=O)NO;DIZYEMAGBVUEFD-UHFFFAOYSA-N;145.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319715;MM319715;CNC(C)(CF)C(C)C=O;HCMBZIGYSOBJII-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319716;MM319716;C=CC(=O)COC(=O)NC;AEXWGEWGHOVHRC-UHFFFAOYSA-N;143.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319717;MM319717;CC(C=CCCO)C=NN;FDBBHHNMQQDYSZ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319718;MM319718;CNC(=O)OCC(=O)C=O;BYWWUFOLKRUEJB-UHFFFAOYSA-N;145.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319719;MM319719;CCC(C)(OC)C(O)C#N;BOVLFMARLDGAIA-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319720;MM319720;C=CC(=O)COC(=O)NO;KXEWUAZVPFALFG-UHFFFAOYSA-N;145.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319721;MM319721;C=CC(O)C(C)(CN)OC;QFODFACDGPOUEI-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319722;MM319722;O=CC(=O)COC(=O)NO;OWPRHOMCGQOOLO-UHFFFAOYSA-N;147.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319723;MM319723;CC=C(C)C=CCCO;HFEMKCDBEJZPCG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319724;MM319724;COC(C)(CO)C(O)C=O;BVFVUVGFIWMIPF-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319725;MM319725;CC(C=CCCO)=CF;HVZMPPGFAMRLBD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319726;MM319726;COC(C)(OC)C(C)C=O;SDDRLBNPGVBMLS-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319727;MM319727;NC(C=O)=NOC(=O)CO;WZFBTFRUHGEFPB-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319728;MM319728;COC(C)(OC)C(O)C=O;YDAAJSPFDHDETN-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319729;MM319729;N#CC(N)=NOC(=O)CO;QVYLKSNPOMFROP-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319730;MM319730;COC(C)(OC)C(F)C#N;NGTUNGNIYIKKBJ-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319731;MM319731;CCC(=O)ONC(=O)C#N;GZRRAMCYFPPUTA-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319732;MM319732;CCC(C)(CN)N(C)C=O;FTEWLNJTCWBELJ-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319733;MM319733;N#CC(=O)NOC(=O)CO;TTZBYEOYTNNTFL-UHFFFAOYSA-N;144.09;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319734;MM319734;CN(C=N)C(C)(CO)CO;OZEIENXKQIUSDF-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319735;MM319735;C=CC(=O)NOC(=O)CF;GHGUKFLVFPMDMH-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319736;MM319736;CN(C=O)C(C)(CO)CO;VQZOFIMKHVAWJA-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319737;MM319737;C=CC(=N)NOC(=N)NC;XRBQYMYCGMKJBX-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319738;MM319738;CC(CO)(CO)N(N)C=N;FGZFSKNFJBRJTJ-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319739;MM319739;C=CC(=N)NOC(=N)NN;JSTWBPOVAITMCQ-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319740;MM319740;C=C(CCNC=O)C(C)C;QIRMHVVIZSJHDV-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319741;MM319741;CC(C=CCCO)=NN;ZINKRXYHWKUIIL-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319742;MM319742;CC(CF)(CF)N(N)C=O;FOFWMMAVEUGYEF-UHFFFAOYSA-N;152.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319743;MM319743;C#CC(C=C)CCCO;HACNBRNRUIAGHI-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319744;MM319744;C=NN(C)C(C)(CN)CF;MDOYNBQFGNHJSM-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319745;MM319745;CNC(=O)ON=C(N)C=O;PERBRFXORUMVMJ-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319746;MM319746;C#CC(C)C(C)(CC)CC;YNRNJVLKEUGHMZ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319747;MM319747;CC1C(N)C(=O)N1C=O;OSBFLYOKEAALEP-UHFFFAOYSA-N;128.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319748;MM319748;C#CC(N)C(C)(CC)CF;WYBQRUXYBGEGGZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319749;MM319749;N#CC1CC(C=O)CN1;HQPHGZMGWIHDEM-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319750;MM319750;C#CC(N)C(C)(CF)CF;IQOCXVFLPGLGNF-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319751;MM319751;C=CC(=O)NOC(=O)OC;UXJDCOOWVUVVBO-UHFFFAOYSA-N;145.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319752;MM319752;C#CC(O)C(C)(CC)CC;SSEZQDUWPLOCHT-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319753;MM319753;C#CC(=C)CCC(=C)CC;NPLNOIJUFUEJLV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319754;MM319754;C#CC(O)C(C)(CC)CN;MLBUJVGIAKWSNT-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319755;MM319755;C#CC(=C)CCC(=C)CN;POUHNYIZRCXLIN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319756;MM319756;C#CC(O)C(C)(CN)CF;JNIVFVFRSAAOLA-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319757;MM319757;C#CC(=C)CCC(=C)CO;CMMNOLFOLSWILS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319758;MM319758;C#CC(O)C(C)(CO)CO;GYUFEACOPFTKPG-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319759;MM319759;C#CC(=C)CCC(=C)CF;AFGWLHNZBKJRPW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319760;MM319760;C#CC(F)C(C)(CO)CO;AMLAVDNFHZRJLN-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319761;MM319761;C#CC(=O)CCC(=C)CC;CQWXWYIGUCGGBO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319762;MM319762;C#CC(N)C(N)(CO)CO;ZMPRAAIJSITFOK-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319763;MM319763;C#CC(O)C(N)(CC)CC;LAHJBJOAWVMTIO-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319764;MM319764;C#CC(=C)CCC(=O)CC;JADPIBGPDJMUIE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319765;MM319765;C#CC(O)C(N)(CC)CN;UGBHYCPMUACAKL-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319766;MM319766;C#CC(=C)CCC(=O)CO;LGBQKABXPVKQRC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319767;MM319767;C#CC(O)C(N)(CO)CO;BBABRJRZIADCRU-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319768;MM319768;C#CC(=C)CCC(=O)CF;WOXMHICIZKOWCB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319769;MM319769;C#CC(N)C(O)(CC)CC;OIMNEXJXKYATLC-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319770;MM319770;C#CC(=O)CCC(=O)CC;MTDVFRYYHOSXBR-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319771;MM319771;C#CC(N)C(O)(CC)CF;UBIZXAINSLLQCV-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319772;MM319772;C#CC(=O)CCC(=O)CF;YPTGJESCIOSMPR-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319773;MM319773;C#CC(O)C(O)(CO)CO;KBWRFEGOTUMASG-UHFFFAOYSA-N;146.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319774;MM319774;C#CC(C)C(F)(CN)CN;VEHSSJUCHBSXID-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319775;MM319775;C#CC(=C)CCC(=N)NC;SJONIPZLSWBXIP-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319776;MM319776;C#CC(O)C(F)(CC)CC;TZYOUYSMQNHENL-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319777;MM319777;C=CC1CC=C(CO)C1;KXYYIXJZXMBKQK-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319778;MM319778;C#CC(C)C(C)(CC)NC;PYHRETRTSAIPSF-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319779;MM319779;C#CC(=C)CCC(=O)NC;LZWRXBAZCNHHEM-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319780;MM319780;C#CC(C)C(C)(CN)NC;BLEOXBZAEFUSNL-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319781;MM319781;C#CC(=O)CCC(=O)NO;PONMICLIMXFNRQ-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319782;MM319782;C#CC(O)C(C)(CC)NC;RMRZCSGLTZCRCN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319783;MM319783;C#CC(=C)CCC(=C)OC;VWFWPEXBQJIPJX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319784;MM319784;C#CC(F)C(C)(CN)NC;MGRLJUCPALQUCM-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319785;MM319785;C#CC(=O)CCC(=C)OC;NVSMNMSUVPUXGT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319786;MM319786;C#CC(C)C(C)(CO)OC;JEQYDEAFZUQNDT-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319787;MM319787;C#CC(=C)CCC(=O)OC;VKSBGOQMHRSRJI-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319788;MM319788;C#CC(O)C(C)(CO)OC;GPEWDYUFVYDRML-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319789;MM319789;C#CC(=O)CCC(=O)OC;OUXJZOJDHRKONT-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319790;MM319790;C#CC(C)C(C)(OC)OC;BJWSOVBWNAFNRU-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319791;MM319791;C#CC(=N)NCC(=C)CN;SGIXEVOQVVFXJR-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319792;MM319792;C#CC(F)C(C)(OC)OC;DSDWGYVBMYKAQN-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319793;MM319793;C#CC(=N)NCC(=C)CO;LLHKCLWNTGUXSB-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319794;MM319794;C=CC(C)(CN)C(C)CN;JHGNZFIAWJQHNV-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319795;MM319795;C#CC(=O)NCC(=C)CN;YSJISFYWSFYBRK-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319796;MM319796;C=CC(C)(CN)C(C)CO;GIYIDVSLCIAMHS-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319797;MM319797;C#CC(=N)NCC(=O)CF;SMSGREBFGHZWGD-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319798;MM319798;CC(CO)C(C)(C=O)CO;CHELUXUMKWFURV-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319799;MM319799;C#CC(=O)NCC(=O)CC;YUKHCIODCWREFC-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319800;MM319800;CC(CO)C(C)(C#N)CO;DWYXOOOYJGOJKG-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319801;MM319801;C#CC(=O)NCC(=O)CO;USKBCEPOOICNGZ-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319802;MM319802;C=CC(C)(CN)C(N)CO;HUJZQVMGQGIPJM-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319803;MM319803;C#CC(=N)NCC(=N)NN;GDJOTWMJJVZPQO-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319804;MM319804;C=CC(C)(CN)C(N)CF;YOAGNSKQLQRIKQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319805;MM319805;C#CC(=N)NCC(=N)NO;DHCJZPOSPAGSBL-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319806;MM319806;C=CC(C)(CF)C(N)CC;DDTWQYFNIRVWNU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319807;MM319807;C#CC(=O)NCC(N)=NC;JJPQWWMUJNMQRL-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319808;MM319808;C=CC(C)(CF)C(N)CN;WPWLGVSBLNCPAX-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319809;MM319809;C#CC(=O)NCC(N)=NO;OKYGJHOVTBHWDR-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319810;MM319810;C=CC(C)(CF)C(N)CF;ZCPKTLWIMRVMJF-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319811;MM319811;C#CC(=O)NCC(=O)NC;RFNPEZIVGRBDPP-UHFFFAOYSA-N;140.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319812;MM319812;C=CC(C)(CC)C(O)CN;ZPNQWOJYRWLEQT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319813;MM319813;C#CC(=O)NCC(=O)NN;HQRUMWLMCSVRDS-UHFFFAOYSA-N;141.13;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319814;MM319814;C=CC(C)(CC)C(O)CO;JMCWTILVGOQLRS-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319815;MM319815;C#CC(=O)NCC(=C)OC;FFBLYLNZYQRBJV-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319816;MM319816;CCC(C)(C=O)C(O)CO;RDZLBIDUPMXOLE-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319817;MM319817;C#CC(=O)NCC(=O)OC;QQIDGUURDYCCQE-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319818;MM319818;C=CC(C)(CN)C(O)CN;LMYVKHIBDFNGFD-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319819;MM319819;C#CC(=C)OCC(=C)CC;YUPNUUBEFKZIJD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319820;MM319820;C=CC(C)(CN)C(O)CO;DNCMAWGZWKKSKG-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319821;MM319821;C#CC(=C)OCC(=C)CF;NKMSVXQITUEYNV-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319822;MM319822;C=CC(C)(CF)C(O)CO;WZGMYQNXGJQRPB-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319823;MM319823;C#CC(=O)OCC(=C)CC;SRUGSEGBZPNITJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319824;MM319824;C=CC(C)(CN)C(F)CN;ZEUYJVGDGJXDGA-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319825;MM319825;C#CC(=O)OCC(=C)CO;JQSJMYMHZIONBR-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319826;MM319826;C=CC(C)(CN)C(F)CF;QGGFBQKIRFRDPH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319827;MM319827;C#CC(=O)OCC(=C)CF;YDEGEZOBNCDFSO-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319828;MM319828;C=CC(C)(CF)C(F)CN;JKXALFOOXGNHTA-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319829;MM319829;C#CC(=C)OCC(=O)CC;VJVGQRXGNCZBHU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319830;MM319830;C=CC(N)(CC)C(C)CN;GWHXFADBKJHQBZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319831;MM319831;C#CC(=C)OCC(=O)CF;XNIBNUIPBOEIEA-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319832;MM319832;C=CC(N)(CN)C(C)CC;VTQWNVBQWLRTQY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319833;MM319833;C#CC(=C)OCC(=N)NN;ADKPSTOLADAFDE-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319834;MM319834;C=CC(N)(CF)C(C)CC;DXTVNLMBAJZGMR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319835;MM319835;C#CC(=C)OCC(=N)NO;NKZBAHXWQAJEIT-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319836;MM319836;C=CC(N)(CF)C(C)CN;LQQQCMSTAKVGNF-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319837;MM319837;C#CC(=O)OCC(N)=NC;FVQJLIDLUPNRJS-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319838;MM319838;C=CC(N)(CF)C(C)CF;HUTKAQPMCXYLTM-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319839;MM319839;C#CC(=C)OCC(=O)NO;TUMOVYRSYGDHAM-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319840;MM319840;C=CC(N)(CC)C(N)CF;VWWXCWRTDBKCBF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319841;MM319841;C#CC(=C)OCC(=C)OC;RPSODBFAOMEYSV-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319842;MM319842;CC(CO)C(O)(C#N)CO;IZPKBQZVNLDQCR-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319843;MM319843;C#CC(=O)OCC(=C)OC;RDQPEPPTZTTZQT-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319844;MM319844;CC(CO)C(O)(C#N)CF;TXPQIQIBYUUJAL-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319845;MM319845;C#CC(=C)OCC(=O)OC;REGIGEPDHQTJJR-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319846;MM319846;C=CC(O)(CO)C(N)CO;SSTGWDFZLGUPOQ-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319847;MM319847;C#CC(=C)CNC(=N)CC;ZUJHJCIWKLTCAI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319848;MM319848;C=CC(O)(CC)C(O)CO;NHGVCVOVRBZUSS-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319849;MM319849;C#CC(=C)CNC(=N)CN;BBCAXVQJLUILJT-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319850;MM319850;C=CC(O)(CO)C(O)CF;DQLMSLVGJOXLOA-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319851;MM319851;C#CC(=C)CNC(=N)CO;ICFPZQSRVYDQFU-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319852;MM319852;CCC(O)C(O)(C=O)CO;WCRFQGDRZWMCRQ-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319853;MM319853;C#CC(=O)CN=C(N)CO;UHHGVJGWWBBYAF-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319854;MM319854;O=CC(O)(CO)C(O)CF;HLJIHNBNFACXMH-UHFFFAOYSA-N;152.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319855;MM319855;C#CC(=C)CNC(=O)CO;IKSIXFPGLPPFHL-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319856;MM319856;C=CC(O)(CN)C(F)CF;BVYLYBSQARCAPP-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319857;MM319857;C#CC(=O)CNC(=O)CC;PNRNSKDSDYIREH-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319858;MM319858;C=CC(F)(CN)C(C)CO;QPVQNHCVKSYTHP-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319859;MM319859;C#CC(=C)CNC(=N)NN;CALWAPMDIAIHOL-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319860;MM319860;C=CC(F)(CN)C(C)CF;VLOHTEJHUVSKEH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319861;MM319861;C#CC(=O)CNC(=N)NC;RMPNHAAJBFMQQP-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319862;MM319862;CC(CO)C(F)(C=O)CO;VIOWBSLJMGRGAJ-UHFFFAOYSA-N;150.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319863;MM319863;C#CC(=O)CNC(=N)NO;WOCMYXNGIPDGNX-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319864;MM319864;CC(CO)C(F)(C#N)CO;OKQYLWVTKQWXFL-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319865;MM319865;C#CC(=C)CNC(=O)NC;ZBPPRJOOOFCPKD-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319866;MM319866;C=CC(F)(CO)C(O)CN;BUFOXJVKJHFLOQ-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319867;MM319867;O=CC1CC=C(CO)C1;QDJZMPFERBUNBC-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319868;MM319868;C=CC(F)(CO)C(O)CO;OMVJVLCAKPUIMU-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319869;MM319869;C#CC(=C)CNC(=O)NO;XMVRKJGJXAFURL-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319870;MM319870;CCC(O)C(F)(C=O)CO;ZUVQAPNSQKMELF-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319871;MM319871;C#CC(=O)CNC(=O)NC;FINSVXLWRYLQSG-UHFFFAOYSA-N;140.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319872;MM319872;N#CC(F)(CO)C(O)CF;NFXMONOTHNPIQT-UHFFFAOYSA-N;151.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319873;MM319873;C#CC(=O)CNC(=O)NO;ISDZXKHBCGUSLY-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319874;MM319874;CNC(C)C(C)(C=O)CO;QZKCHUPINRZOEV-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319875;MM319875;C#CC(=C)CNC(=O)OC;ZHJUYYOKBWMBPY-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319876;MM319876;C=CC(C)(CF)C(C)NC;ZLNKTEJHCBILJD-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319877;MM319877;C#CC(=N)NNC(=N)CC;QZWFYPZGCJIFJW-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319878;MM319878;CNC(C)C(C)(C=O)CF;DCYMAHDJNNPJNQ-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319879;MM319879;C#CC(=N)NNC(=N)CN;FNJAAKSFVRNAHL-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319880;MM319880;CCC(O)(C=O)C(C)NC;FMNAQXQBTHAPDL-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319881;MM319881;C#CC(=N)NNC(=N)CO;JOEUDCLNYDBIMT-UHFFFAOYSA-N;140.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319882;MM319882;C=CC(C)(CN)C(C)OC;WLFONSGGKYYTTQ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319883;MM319883;C#CC(=O)NNC(=N)CC;AQTJONHBUKBZFO-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319884;MM319884;C=CC(O)(CN)C(C)OC;YDCHYRBXMAEYNA-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319885;MM319885;C#CC(=O)NNC(=N)CN;LNDDFZKPZLCGOU-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319886;MM319886;C=CC(O)(CO)C(C)OC;SJICVIQSIUQULX-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319887;MM319887;C#CC(=O)NNC(=O)CC;KJBJYMKLWJECJI-UHFFFAOYSA-N;140.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319888;MM319888;COC(C)C(O)(C=O)CO;HHNNFQQXMLPJNI-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319889;MM319889;C#CC(=O)NNC(=O)CO;FTSYYGMNKZXPEL-UHFFFAOYSA-N;142.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319890;MM319890;COC(C)C(O)(C#N)CO;LTIZSVRMQOBIFD-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319891;MM319891;C#CC(=N)NNC(=N)NN;PZIPOOLKIKYLKM-UHFFFAOYSA-N;140.15;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319892;MM319892;COC(C)C(O)(C=O)CF;GCGMXOHAAAMXLT-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319893;MM319893;C#CC(=N)NNC(=N)NO;FBRRMIJZMVADPK-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319894;MM319894;COC(C)C(F)(C=O)CO;CLMBBOXJOJLYBD-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319895;MM319895;C#CC(=O)NNC(=N)NC;MSOUOBNOPIJJFG-UHFFFAOYSA-N;140.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319896;MM319896;C=CC(C)(NC)C(C)CN;PRTJNDUABXKBFP-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319897;MM319897;C#CC(=O)NNC(=N)NN;BYOKBYISWSRHIQ-UHFFFAOYSA-N;141.13;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319898;MM319898;C=CC(C)(NC)C(C)CO;ZKOSGSONXSOUOA-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319899;MM319899;C#CC(=O)NNC(=N)NO;CHHJANOJCAHAQB-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319900;MM319900;CCC(C)C(C)(C=O)NC;ZCWTZZVLLLQJJA-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319901;MM319901;C#CC(=O)NNC(=O)NC;YDFXKXUZGWFADG-UHFFFAOYSA-N;141.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319902;MM319902;CNC(C)(C=O)C(C)CO;JQXQGRPZLYDXKZ-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319903;MM319903;C#CC(=O)NNC(=O)NN;OGXWYRRWJPBXSN-UHFFFAOYSA-N;142.12;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319904;MM319904;CNC(C)(C=O)C(C)CF;SQWXILZFRFPEFM-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319905;MM319905;C#CC(=O)NNC(=O)NO;XWGVLPXFNQGFTR-UHFFFAOYSA-N;143.1;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319906;MM319906;C=CC(C)(NC)C(N)CC;FZEDNVWWKSAIQW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319907;MM319907;C#CC(=O)NNC(=O)OC;VNCHCUZKAIHBOD-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319908;MM319908;C=CC(C)(NC)C(N)CO;VTQLSPAVTHTJSC-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319909;MM319909;C=CC1C=C(CO)CC1;FVQIFPQVXJOBKY-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319910;MM319910;C=CC(C)(NC)C(O)CC;YYUFPYHSMSWWNB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319911;MM319911;O=CC1C=C(CO)CC1;PIOZAALSRFDDMU-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319912;MM319912;CC(O)C(C)C=CCCO;LZYSAUAWCCCFGF-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319913;MM319913;C#CC(=O)ONC(=O)CC;GAUCGDCHMQSYMV-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319914;MM319914;C=CC(C)(NC)C(F)CN;CYKLMPKWEMZIPI-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319915;MM319915;C#CC(=O)ONC(=O)NN;VBGIALHYGBCBSS-UHFFFAOYSA-N;143.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319916;MM319916;C=CC(C)(NC)C(C)OC;ABBPVRKCDMCDEN-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319917;MM319917;C#CC(=C)COC(=C)CC;HVVUQRRQSUTCQN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319918;MM319918;C=CC(C)(OC)C(O)CN;QSXVBBQTRUZFKB-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319919;MM319919;C#CC(=C)COC(=C)CN;HRKGVOYOXTZEBN-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319920;MM319920;C=CC(C)(OC)C(O)CO;KNSMMBTVEJPURR-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319921;MM319921;C#CC(=C)COC(=C)CO;OORWMZQRSQKOQQ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319922;MM319922;COC(C)(C=O)C(O)CO;AOOBHZHAGMELDZ-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319923;MM319923;C#CC(=C)COC(=O)CC;ZAMHZWGGSAZTLT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319924;MM319924;COC(C)C(C)(C#N)OC;CUAVRNRXUYXGIT-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319925;MM319925;C#CC(=O)COC(=N)NC;IWQBCKRGHPMBKK-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319926;MM319926;C=CC(C)C(C)(C=O)CC;ODBQBWJZXUHVTQ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319927;MM319927;C#CC(=C)COC(=O)NC;COLLNMICZWAEKK-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319928;MM319928;CCC(C)(C#N)C(C)C#N;NMOKGPJANDFMOY-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319929;MM319929;C=CC1CC1C(=C)CO;YSPWXBGLXDOAKK-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319930;MM319930;C=CC(C)C(C)(C=C)CN;ZTHOYFYFALLXDP-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319931;MM319931;C#CC(=O)COC(=O)NC;DIUHJHZOMIRIES-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319932;MM319932;CC(C)C(O)C=CCCO;WXIUCGUCWCCWNJ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319933;MM319933;C#CC(=O)COC(=O)NO;YTNULTXXGMLIAL-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319934;MM319934;C=CC(C)C(C)(C=O)CF;RQMSLOWDPLFTRA-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319935;MM319935;C#CC(=C)COC(=O)OC;FEPYXIGWDDLIJF-UHFFFAOYSA-N;140.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319936;MM319936;C=CC(N)C(C)(C=C)CN;WDDMWJYLCDUVQI-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319937;MM319937;C=C(CO)C1CC1C=O;AYALJMSTZWYERZ-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319938;MM319938;CCC(C)(C=O)C(O)C=O;ZXUCXSROTKESCW-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319939;MM319939;C#CC(=O)NOC(=O)CO;HKCWREWKKIFYSS-UHFFFAOYSA-N;143.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319940;MM319940;CC(C#N)(CO)C(O)C=O;DATLZUOAJIWBBR-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319941;MM319941;C=CC(=C)CCC(=C)C=C;BGCNJQHDGMDZFV-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319942;MM319942;C=CC(C)C(N)(C=C)CF;DTPXAPIPGFSNKT-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319943;MM319943;C=CC(=C)CCC(=C)C=O;REACYXWCAJLPAU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319944;MM319944;C=CC(O)C(N)(C=C)CC;BRCFRIAIFNUASB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319945;MM319945;C=CC(=C)CCC(=C)C#N;DLZFVDRBMBBCMD-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319946;MM319946;C=CC(C)C(O)(C=C)CN;PQBPYSSUOVAHIK-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319947;MM319947;C=C(C=O)CCC(=C)C=O;NJLDQJDQMYPTEF-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319948;MM319948;CC(C#N)C(O)(C=O)CF;HUNLJFPZLQJYPX-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319949;MM319949;C=C(C#N)CCC(=C)C=O;WLTBZMDBZLGSGK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319950;MM319950;C=CC(N)C(O)(C=C)CC;LIMWCPXOBPRCGC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319951;MM319951;C=C(C#N)CCC(=C)C#N;DAWMDBHUAGOXDF-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319952;MM319952;CCC(O)(C=O)C(O)C#N;LGGMZCXSZPHHQN-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319953;MM319953;C=CC(=C)CCC(=O)C=C;MGFNFOBZQBJSNX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319954;MM319954;C=CC(O)(CF)C(O)C#N;QMWBATPQUSTUBR-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319955;MM319955;C=CC(=O)CCC(=C)C=O;PWNRGVRNYCCAJO-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319956;MM319956;C=CC(O)C(O)(C#N)CF;ZCXIAKPNZMFDEN-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319957;MM319957;C=CC(=O)CCC(=C)C#N;XSBZFKCLOBOQPA-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319958;MM319958;N#CC(O)C(O)(C=O)CF;DJPORVFNNPMOEN-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319959;MM319959;C=C(C#N)CCC(=O)C=O;XNLGYLQHBYAYDW-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319960;MM319960;C=CC(O)C(F)(C=O)CO;MVUQCVSODVKXRV-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319961;MM319961;O=CC(=O)CCC(=O)C=O;PKQCBHOOKJHIER-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319962;MM319962;C=CC(F)(CF)C(O)C#N;SHFIDPVJBMIYDV-UHFFFAOYSA-N;147.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319963;MM319963;C=C(C=O)CNC(=N)C=O;OEHSTSLAQRJJJX-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319964;MM319964;C=CC(F)(CO)C(F)C#N;CCRWQKNBZFNNRK-UHFFFAOYSA-N;147.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319965;MM319965;CCC#CC1C(C)C1O;XWECEPFNWBRKGG-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319966;MM319966;N#CC(F)C(F)(C=O)CF;JRVYWAFXPCZNHX-UHFFFAOYSA-N;151.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319967;MM319967;C=CC(=C)CNC(=O)C#N;OVDXJEFTUUFWOO-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319968;MM319968;C=CC(C)C(C)(C=C)NC;WYIYOTPOTONPAO-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319969;MM319969;C=CC(=O)NCC(=C)C#N;AMENOIXNVXHPCO-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319970;MM319970;C=CC(C)(NC)C(C)C=O;UDEWBKNQWHWVOB-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319971;MM319971;C=C(C=O)CNC(=O)C#N;YXLACSWYXDEZQT-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319972;MM319972;C=CC(C)C(C)(C=O)NC;NVYCTTDQMBOUSB-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319973;MM319973;C=CC(C)(NC)C(O)C=O;MWIGYQPFKJHNCM-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319974;MM319974;C=C(C#N)CNC(=O)C#N;GKGYDTVITQPYIG-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319975;MM319975;C=C(C)C(O)C=CCCO;NOTCGCWIJFOFNP-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319976;MM319976;CCC=CC=CCCO;ZVVFQUSSYQVVJC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319977;MM319977;CNC(C)(C#N)C(O)C#N;LJRGVHCVIQBKKJ-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319978;MM319978;COC=CC=CCCO;YXRHZPGKFGICDU-UHFFFAOYSA-N;128.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319979;MM319979;C=CC(C)(NC)C(F)C#N;MSTJTAGVBQNGOQ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319980;MM319980;C=CC(=O)CNC(=O)C#N;HKVDYRSAINONGF-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319981;MM319981;COC(C)(C=O)C(C)C=O;PNJBDGHBOVKCCT-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319982;MM319982;C=CC(=C)COC(=C)C=C;UZDMNSMPXBHDMQ-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319983;MM319983;COC(C)(C#N)C(C)C=O;RFTHDUOEOLEASL-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319984;MM319984;C=CC(=C)COC(=C)C=O;JLSVIHABIKSQQU-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319985;MM319985;COC(C)(C#N)C(O)C=O;VQTHBGHDSZSWCP-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319986;MM319986;C=CC(=C)COC(=C)C#N;AHCSCNCXJFIEAJ-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319987;MM319987;COC(C)(C=O)C(F)C#N;TVXAATXXZBADLM-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319988;MM319988;C=CC(=C)OCC(=C)C=O;ZVVWSGMLSHMLCX-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319989;MM319989;COC(C)(C#N)C(F)C#N;IDHBPHYSLWTXPH-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319990;MM319990;C=CC(=C)OCC(=C)C#N;QWFYKAKVEVJDCR-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319991;MM319991;C=CC(C)(CC)N(C)C=N;WJAQWQBWOOQPSQ-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319992;MM319992;C=C(C=O)COC(=C)C#N;VSOWZPIHZGHQOZ-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319993;MM319993;C=CC(C)(CC)N(N)C=N;LZXQPSKPDLZSAL-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319994;MM319994;C=C(C#N)COC(=C)C#N;GBXUSZPBPVTVLN-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319995;MM319995;CC(C)=C(C)CCNC=O;YPABBBAJOPTADJ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319996;MM319996;C=CC(=C)COC(=O)C=C;COZPKHJPFKMJBA-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319997;MM319997;C=CC(C)(CF)N(N)C=N;IWZMFEARHFDOLX-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319998;MM319998;C=CC(=O)OCC(=C)C#N;SUCMEXQIZSQLLP-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM319999;MM319999;CC(=N)N(N)C(=O)CCF;RMBHVYJXMUVGKC-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320000;MM320000;C=C(C#N)COC(=O)C=O;XPVPKVVVAYEEPL-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320001;MM320001;CCCC1CC1(C)C(N)=O;LVPPVKUKONFPID-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320002;MM320002;C=C(C#N)COC(=O)C#N;XQHHIIBIYBNCNH-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320003;MM320003;C#CC(C)C(C)(C#N)CO;OAZLKBLOURYDQP-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320004;MM320004;C=CC(=C)OCC(=O)C=C;YIFLUOIJXBYJCR-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320005;MM320005;C#CC(C)C(C)(C=O)CF;JPQCAXJKHPJMLL-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320006;MM320006;C=CC(=O)COC(=C)C#N;ZKUQZBSSQVKCJG-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320007;MM320007;C#CC(N)C(C)(C=C)CN;PHMHAHSWAQPIOI-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320008;MM320008;C=CC(=O)COC(=O)C=C;INTWGANOFXCPRB-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320009;MM320009;C#CC(N)C(C)(C=C)CF;OYYMOJPXMROOOA-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320010;MM320010;N#CC(=O)OCC(=O)C=O;TYSLSMVYULJRBX-UHFFFAOYSA-N;141.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320011;MM320011;C#CC(O)C(C)(C=C)CC;GYUKGRUQCGWSPR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320012;MM320012;C=CC(=N)NNC(=N)C=C;HIKIBTZHZVUNSE-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320013;MM320013;C#CC(C)C(N)(C=C)CN;GRZZDLYHJPJSPM-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320014;MM320014;C=CC(=N)NNC(=N)C=O;WXDKELDQKDHUBL-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320015;MM320015;C#CC(N)C(O)(C=C)CF;RFHGASJLJDMZFH-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320016;MM320016;C=CC=CC=CCCO;XBJGQVCAYKENFE-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320017;MM320017;C#CC(O)C(O)(C=O)CO;SQJNHKLIGHXGID-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320018;MM320018;O=CC=CC=CCCO;AEJYIJOHGHIJRE-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320019;MM320019;C#CC(O)C(O)(C#N)CO;VIAUDAXGITWTSA-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320020;MM320020;N#CC(=O)NNC(=N)C=O;HWSKSHYKJSTONY-UHFFFAOYSA-N;140.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320021;MM320021;C#CC(O)C(O)(C#N)CF;VSBCFXDBVLMBJM-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320022;MM320022;O=CC(=O)NNC(=O)C=O;HYNGOGDAJMJBFY-UHFFFAOYSA-N;144.09;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320023;MM320023;C#CC(F)C(O)(C#N)CC;KGKICBNTUFPKSS-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320024;MM320024;N#CC=CC=CCCO;PPQHBJVFBHQVCY-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320025;MM320025;C=CC(=O)ONC(=O)C#N;BAKOIMLPYPMJCD-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320026;MM320026;C#CC(F)C(O)(C=O)CO;SYGREHOOXNLZJZ-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320027;MM320027;O=CC(=O)NOC(=O)C=O;PCSJDYDERMKFSY-UHFFFAOYSA-N;145.07;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320028;MM320028;C#CC(C)C(F)(C#N)CO;PVWDDXUYPBNBME-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320029;MM320029;N#CC(=O)NOC(=O)C=O;XNYXPACOJQUMBF-UHFFFAOYSA-N;142.07;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320030;MM320030;C#CC(O)C(F)(C=O)CO;UDMDDTUVKFJDGU-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320031;MM320031;C#CC(=C)CCC(=C)C=C;DYJDEOWAMZYDPN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320032;MM320032;C#CC(F)C(F)(C=C)CO;AIWMCVPHDGCUJB-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320033;MM320033;C#CC(=C)CCC(=C)C=O;VNHPKUSSIMSVRQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320034;MM320034;C#CC(C)C(C)(C=C)NC;YETGIFKCXHPXGM-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320035;MM320035;C#CC(=C)CCC(=C)C#N;KFNNFJLGCGJBIG-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320036;MM320036;C#CC(C)C(C)(C#N)NC;FIYNBVVVSVPXTI-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320037;MM320037;C#CC(=O)CCC(=C)C=C;JXNQHQUKUZYBAG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320038;MM320038;C#CC(N)C(C)(C=C)NC;CHRSACROXPEHPO-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320039;MM320039;C=C(C)C(C=CC)C(N)=O;ZAHYKJWYMBWGAN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320040;MM320040;C#CC(=O)CCC(=C)C=O;DJRWCSBDTQIRHM-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320041;MM320041;C=C(CO)C(=C)C(C)CO;GXODDIVAOLYIKT-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320042;MM320042;C#CC(=O)CCC(=C)C#N;DTAIVQHNVJGZLN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320043;MM320043;C#CC(O)C(C)(C=O)OC;SSHJEQJEMNXERO-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320044;MM320044;C#CC(=C)CCC(=O)C=C;WXVWWXQDJZRAKU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320045;MM320045;C#CC(F)C(C)(C=O)OC;BGQOEMPUXAWBGT-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320046;MM320046;C#CC(=C)CCC(=O)C=O;PBMYHGDTUXDOBA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320047;MM320047;C#CC(F)C(C)(C#N)OC;PVPUKURAUMJYMG-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320048;MM320048;C#CC(=C)CCC(=O)C#N;LIQZCPDBAGHDJJ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320049;MM320049;C#CC(C)(CN)C(C)CF;KKUQKBOXYHATLH-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320050;MM320050;C#CC(=O)CCC(=O)C=C;ZJWPRHBRWCFDKX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320051;MM320051;C#CC(C)(CO)C(N)CF;XUMOMGWKANPACL-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320052;MM320052;C#CC(=O)NCC(=C)C=O;SCIYRMABPUAQMK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320053;MM320053;C#CC(C)(CO)C(O)CO;BSNBDGXCKBXKOQ-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320054;MM320054;C#CC(=O)NCC(=C)C#N;XJCJGQWBYCFUCH-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320055;MM320055;C#CC(C)(CO)C(O)CF;IKCCHUSTFZDAOY-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320056;MM320056;C#CC(=N)NCC(=O)C=C;QICOOOQFSTTZQH-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320057;MM320057;C#CC(C)(CN)C(F)CO;XNMHTZDKSZONCX-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320058;MM320058;C#CC(=N)NCC(=O)C=O;PIYLSIGARFXRSJ-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320059;MM320059;C#CC(C)(CO)C(F)CN;ZNKPEILVBXYDKM-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320060;MM320060;C#CC(=N)NCC(=O)C#N;CTZITKILNBQUBT-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320061;MM320061;C#CC(C)(CO)C(F)CO;OQMDJWNMTNNEJR-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320062;MM320062;C#CC(=O)NCC(=O)C=C;IHSBIFIRFRYFHO-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320063;MM320063;C#CC(N)(CC)C(O)CF;HZRHKYNIBVVKFT-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320064;MM320064;C#CC(N)(CO)C(O)CN;JSIRBIQGSNVDAF-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320065;MM320065;C#CC(=O)NCC(=O)C=O;WVJXPRQTQBQCPN-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320066;MM320066;C#CC(=C)OCC(=C)C=C;UGZDWJYTNZHHNX-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320067;MM320067;C#CC(O)(CO)C(N)CO;BYTMXSHOVCXVOL-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320068;MM320068;C#CC(=C)OCC(=C)C=O;SSZYELONCPJBHG-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320069;MM320069;C#CC(O)(CO)C(O)CN;VQZOHBQCBYAVQE-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320070;MM320070;C#CC(O)(CF)C(O)CF;OWHMKYBULGDPFN-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320071;MM320071;C#CC(=O)OCC(=C)C=O;QRPCTZCVRZIIRN-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320072;MM320072;C#CC(O)(CF)C(F)CO;WPMAAHOUSIETPV-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320073;MM320073;C#CC(=O)OCC(=C)C#N;JWCPSJMWNMVPPS-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320074;MM320074;C#CC(=C)OCC(=O)C=C;PNVCOKGOVOAYHB-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320075;MM320075;C#CC(F)(CO)C(C)CO;YMFDUUKIDINMNB-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320076;MM320076;C#CC(=O)OCC(=O)C#N;AEIOSMCJGYECJP-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320077;MM320077;C#CC(F)(CO)C(O)CN;XLOPLLUZVDTOCZ-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320078;MM320078;C#CC(C)(CN)C(C)NC;RUFIFJLVZBSOEQ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320079;MM320079;C#CC(=C)CNC(=N)C=C;PVAMKZVRUOFGKC-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320080;MM320080;C#CC(C)(CF)C(C)NC;KMJIAQAXEKXUGS-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320081;MM320081;C=NN=CC=CCCO;VOZZSLUYNBFVCW-UHFFFAOYSA-N;126.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320082;MM320082;C#CC(O)(CF)C(C)NC;ZVKOSAZELDJHIV-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320083;MM320083;C#CC(=C)CNC(=O)C=O;AWJBQAUOLBCBCI-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320084;MM320084;C#CC(C)(CO)C(C)OC;KASIOMGRXZYWLN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320085;MM320085;C#CC(=O)CNC(=O)C=C;JMDOSVALRWSIIK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320086;MM320086;C#CC(O)(CO)C(C)OC;SWONAHXPCDJTCI-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320087;MM320087;C#CC(=N)NNC(=N)C=C;LWFPQUDDKCYGLU-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320088;MM320088;C#CC(C)(NC)C(C)CO;YXEHFTWAPCMLOM-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320089;MM320089;C#CC=CC=CCCO;BLIROVDJFMJJKH-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320090;MM320090;C#CC(C)(OC)C(O)CC;JFRMPSVGUMAPCT-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320091;MM320091;C#CC(=O)NNC(=N)C#N;VUAJILQXMNLEPZ-UHFFFAOYSA-N;136.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320092;MM320092;C#CC(=O)NNC(=O)C=O;SXOMSARTBGJHHW-UHFFFAOYSA-N;140.1;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320093;MM320093;C#CC(C)(OC)C(O)CO;JRZBMFGMSWCLJH-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320094;MM320094;C#CC(C)(OC)C(C)OC;FBESTOVQRYCOGZ-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320095;MM320095;C#CC(=C)COC(=C)C=C;COXLVFREDBSZOC-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320096;MM320096;C#CC(=C)COC(=C)C=O;VLVYGQSQCBDBFK-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320097;MM320097;C#CC(N)(CN)C(C)C=C;SSTROFJLUJFHGK-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320098;MM320098;C#CC(=C)COC(=C)C#N;KRJVLLPGLINLSV-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320099;MM320099;C#CC(N)(CC)C(N)C=C;CRLSWWWRMFNRNY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320100;MM320100;C#CC(=O)COC(=C)C=C;GGTGYMNSNYTVPK-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320101;MM320101;C#CC(N)(CC)C(O)C=C;LNCBBDJELYXLQB-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320102;MM320102;C#CC(O)(CO)C(O)C=C;HEURIMWYMYNPJE-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320103;MM320103;C#CC(=C)COC(=O)C=C;OVDKDSMEJOCKQD-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320104;MM320104;C#CC(O)(CO)C(O)C=O;ARYNKPZUTVAVME-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320105;MM320105;C#CC(=C)COC(=O)C=O;ILXCZZONOXTYHH-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320106;MM320106;C#CC(O)(CO)C(O)C#N;QKYFSIBFJKGYOC-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320107;MM320107;C#CC(=C)COC(=O)C#N;GCIXLHIYBXFYHP-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320108;MM320108;C#CC(O)(CF)C(O)C#N;RFSBLEYKHHRXGO-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320109;MM320109;C#CC(=O)COC(=O)C=C;CGSLNGKCRQRVQT-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320110;MM320110;C#CC(F)(CC)C(O)C#N;PZCUMTKGHRXADJ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320111;MM320111;C#CC(=O)COC(=O)C=O;GRRDTSQJMQYKOS-UHFFFAOYSA-N;140.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320112;MM320112;C#CC(F)(CO)C(O)C=O;URNDQQUUYJBPGQ-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320113;MM320113;C#CC(=O)COC(=O)C#N;GMMXPOANVATIGP-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320114;MM320114;C#CC(C)(NC)C(C)C=C;TZXXOMQXTMIQIP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320115;MM320115;C#CC(=C)CCC(=C)C#C;QOUPOCBWXUUKCR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320116;MM320116;C#CC(C)(NC)C(O)C=C;KSCUWXUBDVFGNM-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320117;MM320117;C#CC(=C)CCC(=O)C#C;HIYYDZOTDBNJCV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320118;MM320118;C#CC(C)(OC)C(C)C=O;WTEXINNCVSCHMI-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320119;MM320119;C#CC(=C)CNC(=N)C#C;BZTJFOOPBOALHQ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320120;MM320120;C#CC(C)(OC)C(O)C=O;VUBOUHJMPXVUDH-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320121;MM320121;C#CC(=C)CNC(=O)C#C;BREBWPOSZKICIS-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320122;MM320122;C#CC(C)(OC)C(F)C#N;KMTJWDGNQGSREN-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320123;MM320123;C=NNCC(C)CCCO;GGMUDWNYDYSKRG-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320124;MM320124;C#CC(=N)NCC(=O)C#C;RPYKLOXNPFUNGW-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320125;MM320125;C#CC(C)(CF)N(N)C=O;DFZUJLQBZRJMLA-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320126;MM320126;C#CC(=O)CNC(=O)C#C;NBGAMJUKLSDWCX-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320127;MM320127;C#CC(C)(CN)N(C)N=C;ZIIVRCLLXNHDKG-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320128;MM320128;C#CC(=C)COC(=C)C#C;VOZNXACACGKFII-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320129;MM320129;C#CC(=C)COC(=O)C#C;UDKSTBXUCPPBQY-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320130;MM320130;C=CC(O)C(C)CCCO;QVHSOUTXCDQVLJ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320131;MM320131;C#CC(=C)OCC(=O)C#C;SVRJJUFOPHPAKQ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320132;MM320132;C#CC(C)C(C)(C#C)CN;YEIVXXZYZPECGJ-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320133;MM320133;CC=C(C)CCC(C)CC;YCXDGKBGMLYLKF-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320134;MM320134;C#CC(F)C(C)(C#C)CO;YGNLFWJSJTWMBU-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320135;MM320135;CCC(C)CCC(C)=CF;BRDOMKHBUDUYFM-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320136;MM320136;C#CC(N)C(N)(C#C)CN;QXRYNZLTPQONQZ-UHFFFAOYSA-N;137.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320137;MM320137;CC=C(C)CCC(C)CN;HARTWPOYPGHPMP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320138;MM320138;C#CC(O)C(N)(C#C)CN;XCJZJWQSQAZKDP-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320139;MM320139;CC(=CF)CCC(C)CN;KNDIBKCGUXSENE-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320140;MM320140;C#CC(F)C(N)(C#C)CN;XLMBKRZBGUQKEB-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320141;MM320141;C=C(CO)C(C)(C)CC#N;YOHBBWXBULNTJD-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320142;MM320142;C#CC(N)C(O)(C#C)CN;KIABOGDIHKEYSW-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320143;MM320143;CCC#CC(C)=CC(C)O;IOEHTBZUBOPSJI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320144;MM320144;C#CC(O)C(O)(C#C)CN;QEZXJBOJWYJQCT-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320145;MM320145;CC(=CF)CCC(C)CF;OTOXZNKTRAXDQG-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320146;MM320146;C#CC(F)C(O)(C#C)CF;KBEGHSLZYLFNTG-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320147;MM320147;CCC(C)CCC(F)=CF;LDFLFQCPUKYGPN-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320148;MM320148;C#CC(C)C(F)(C#C)CO;GDDGGJZACTXQRU-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320149;MM320149;CC=C(F)CCC(C)CN;HGPJZIXVTLYQPN-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320150;MM320150;C#CC(O)C(F)(C#C)CF;WFUPSQABZKOTIZ-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320151;MM320151;CC(CN)CCC(F)=CF;QMZOHZYLIXBZFQ-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320152;MM320152;C=CC(C)(C=C)C(C)CC;QKTSVJAJVPMLEJ-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320153;MM320153;C=CC(C)=CC(C)C(N)=O;MAZHIBWANSBXII-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320154;MM320154;C=CC(C)(C=C)C(C)CN;WSGBPFYMCDCHPB-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320155;MM320155;C=C(C)C=CC(C)C(N)=O;LBJTUQXGGFZGPH-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320156;MM320156;C=CC(C)(C=O)C(C)CC;PBHNIFWQHSJSNP-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320157;MM320157;CC=C(F)CCC(C)CF;WQYHLMLQRSEDLP-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320158;MM320158;CCC(C)C(C)(C#N)C#N;VGQYNHMYRFKWIF-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320159;MM320159;CC(CF)CCC(F)=CF;WYXHCLLPANOYJC-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320160;MM320160;C=CC(C)(C=C)C(N)CN;JJSWRZYFTNCNSD-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320161;MM320161;CC=C(C)CCC(N)CC;HKRJVVUYZSWNQZ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320162;MM320162;C=CC(C)(C=C)C(N)CF;UMKYKPIBAIWHOA-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320163;MM320163;CCC(N)CCC(C)=CF;MGNLOEDEEPKGIT-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320164;MM320164;C=CC(C)(C=C)C(O)CO;OYOFCXXZSCJAEX-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320165;MM320165;CC=C(C)CCC(N)CN;PSWZKHLRBUQNGT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320166;MM320166;CC(C=O)(C=O)C(O)CO;QQENTABLIYXFBL-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320167;MM320167;CC=C(C)CCC(N)CO;BCLLDSDZNANFAH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320168;MM320168;CC(C#N)(C=O)C(O)CO;ZHSFMQHCQXEMGL-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320169;MM320169;CC=C(C)CCC(N)CF;VGAQVCFLFZRSHO-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320170;MM320170;C=CC(N)(C=C)C(C)CN;DEOIGLJXXNIYIW-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320171;MM320171;CC(=CF)CCC(N)CF;SAALHKDKEXCMIW-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320172;MM320172;CCC(C)C(O)(C#N)C=O;XKOZXOADOLQAGU-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320173;MM320173;CC=C(F)CCC(N)CC;OKMXFJHSSKRGBC-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320174;MM320174;CC(CF)C(O)(C#N)C=O;JDTDTGFLPQDJNA-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320175;MM320175;CCC(N)CCC(F)=CF;CZJFZRZWIWUQGI-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320176;MM320176;C=CC(O)(C=C)C(O)CN;OVKDJWZCYZMNPN-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320177;MM320177;NCC(N)CCC(F)=CF;YMXKUPKPYFXQNQ-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320178;MM320178;O=CC(O)(C=O)C(O)CO;YISRPXDHUJCRAD-UHFFFAOYSA-N;148.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320179;MM320179;CC=C(F)CCC(N)CF;SNSURKYTPQEWLJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320180;MM320180;NC(CF)CCC(F)=CF;JUFUECAPKNQIGT-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320181;MM320181;N#CC(O)(C=O)C(O)CF;WNGIHGFAAJKWSB-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320182;MM320182;N#CC(=N)NN=CC(F)F;FQJNEUWFDYDNHO-UHFFFAOYSA-N;146.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320183;MM320183;C=CC(O)(C=O)C(F)CC;YOVSHDFRPDNJTQ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320184;MM320184;C#CC(=CC(C)O)CCC;GHCJCWONLAMUNO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320185;MM320185;CCC(O)C(F)(C#N)C#N;VJRYVXWMPYWHMH-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320186;MM320186;CC=C(C)CCC(O)CN;QRIQRAWPEHVQON-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320187;MM320187;O=CC(F)(C=O)C(O)CO;OUACARMHZBLQBB-UHFFFAOYSA-N;150.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320188;MM320188;N#CC(F)(C=O)C(O)CO;ZJTQPIJUWUMAOP-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320189;MM320189;CC=C(C)CCC(O)CO;JDWOJUJAQOCSLX-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320190;MM320190;CNC(C)C(O)(C#N)C#N;IYGGNSUFFDZYHH-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320191;MM320191;CC(=CF)CCC(O)CO;IXWBWBUKJZNQML-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320192;MM320192;C=CC(C)(C=C)C(C)OC;CRTFSNDRERIDFZ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320193;MM320193;CC=C(C)CCC(O)CF;PFUAZPWFTMGOAV-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320194;MM320194;CC(=CF)CCC(O)CF;PEQLRVDLDJOSIF-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320195;MM320195;COC(C)C(C)(C=O)C=O;NVQIBTVRCYTSCC-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320196;MM320196;COC(C)C(C)(C#N)C=O;ZXKBINUEPJCDHA-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320197;MM320197;CC=C(F)CCC(O)CC;HTSVSTJXLHOGSK-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320198;MM320198;C=CC(O)(C=C)C(C)OC;LHJPXNRQOCVABO-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320199;MM320199;CCC(O)CCC(F)=CF;VWHNVWNGAXHVRR-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320200;MM320200;COC(C)C(O)(C=O)C=O;RAPZUIDVBIDDJX-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320201;MM320201;CC=C(F)CCC(O)CO;FMRBTCVXWFZWEH-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320202;MM320202;COC(C)C(O)(C#N)C=O;MGASZRPIIFURJJ-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320203;MM320203;OC(CF)CCC(F)=CF;QWSNKVBMRHUWTQ-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320204;MM320204;COC(C)C(O)(C#N)C#N;IATWNMGKMHCFDF-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320205;MM320205;CC=C(C)CCC(F)CC;WLBYTTGFKSYVCF-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320206;MM320206;COC(C)C(F)(C#N)C=O;QEDVNXXWNMBVJG-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320207;MM320207;CCC(F)CCC(C)=CF;BVCLOZCHBYBIIF-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320208;MM320208;COC(C)C(F)(C#N)C#N;HDGVTKRVTQTRAG-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320209;MM320209;CC=C(C)CCC(F)CN;JJCSCQVVWDGPAZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320210;MM320210;C=CC(C)(C=C)C(C)C=O;HVUIDLUIHXJYQZ-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320211;MM320211;CC=C(C)CCC(F)CO;SSZKPEZKNOFFJN-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320212;MM320212;C=CC(C)(C=C)C(C)C#N;JTNBOKRSGLVNPO-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320213;MM320213;CC=C(C)CCC(F)CF;XOYWBNIMFDKBHN-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320214;MM320214;C=CC(C)(C=O)C(C)C=O;QVKVMNDEVHUCQF-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320215;MM320215;CC(=CF)CCC(F)CF;ACQSYFYEJMBUNX-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320216;MM320216;C=CC(C)(C#N)C(C)C#N;QMDFJWGJGWEPHP-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320217;MM320217;CCC(F)CCC(F)=CF;IFCVYXDLXLIKSC-UHFFFAOYSA-N;152.16;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320218;MM320218;C=CC(C)C(C)(C=O)C=O;JUBZOEPGSJQOIN-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320219;MM320219;CC=C(F)CCC(F)CN;MBULCDREICGLNV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320220;MM320220;CC(C=O)C(C)(C=O)C=O;XUFSYNBIVDOSSG-UHFFFAOYSA-N;142.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320221;MM320221;NCC(F)CCC(F)=CF;WCYMEVJSEXXDCJ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320222;MM320222;CC(C=O)C(C)(C#N)C=O;RVTVRKZCDYYNKT-UHFFFAOYSA-N;139.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320223;MM320223;CC=C(F)CCC(F)CO;QGBGIGJTBFPTOF-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320224;MM320224;C=CC(O)C(C)(C=C)C=O;XXESLQLJBBUEPY-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320225;MM320225;CCC(C)CCC(C)=NN;LHVNNOBQNGGXJM-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320226;MM320226;C=CC(C)(C#N)C(O)C#N;BWCFBKMNQAJSFQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320227;MM320227;CC(C#N)(C=O)C(O)C=O;LPICMDDPOFCVNT-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320228;MM320228;C#CCC(C#C)=CC(C)O;GOUZZYHUTCCYQJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320229;MM320229;CC(C=O)(C=O)C(F)C#N;ZJNDDHONSHJKOE-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320230;MM320230;CC(CCC(C)CN)=NO;IVGNUEYMZXCEAJ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320231;MM320231;CC(C#N)(C=O)C(F)C#N;LFTWMYYYZMMNAV-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320232;MM320232;C=CC(C=CC)=CC(N)=O;YDCPWGFXEQGKQU-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320233;MM320233;CC(CCC(C)CO)=NO;BSAXFWHLNYGLGN-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320234;MM320234;C=CC(O)C(O)(C#N)C=C;ULPJGVDDZMGLOZ-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320235;MM320235;CC(CCC(C)CF)=NN;GGJOSMNIUUSJBW-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320236;MM320236;C=CC(O)C(O)(C#N)C#N;RPLQBMVOGUWQFO-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320237;MM320237;CC(CCC(C)CF)=NO;DPPPFZKTJKUQOI-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320238;MM320238;CC(C=O)C(F)(C#N)C#N;MKPNZFVEUUJOQE-UHFFFAOYSA-N;140.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320239;MM320239;CCC(N)CCC(C)=NO;QUVJEBOACOAYAW-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320240;MM320240;C=CC(O)C(F)(C#N)C#N;QQNNOHNJHPSFLM-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320241;MM320241;CN(C)N=CC=CCCO;FKCCKBOHQSBETL-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320242;MM320242;N#CC(F)C(F)(C=O)C=O;DADIPIFRHUHHML-UHFFFAOYSA-N;147.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320243;MM320243;CCC(O)CCC(C)=NO;DKSMTGRMEVYPRM-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320244;MM320244;N#CC(F)C(F)(C#N)C=O;NOHNSTBFTDDUCD-UHFFFAOYSA-N;144.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320245;MM320245;C=C(C=CCCO)CCF;LAIASRMEURELIB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320246;MM320246;N#CC(F)C(F)(C#N)C#N;LPPRRIHSOKNUAR-UHFFFAOYSA-N;141.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320247;MM320247;CC(CCC(O)CO)=NO;QZMOELJMWJHJID-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320248;MM320248;C=CC(C)(C=C)N(C)C=N;IHDHLUWHQJUHRS-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320249;MM320249;CC(CCC(O)CF)=NO;SFIWVUJGBKWPKG-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320250;MM320250;C=CC(C)(C#N)N(C)C=O;BVOOUUPJWNJEEY-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320251;MM320251;CC(CCC(F)CF)=NN;PTCMALQSIBNGIQ-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320252;MM320252;C=CC(C)(C=C)N(C)N=C;ITZIIJCRZJKIKR-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320253;MM320253;CC=C(C)CCC(C)NC;BOJIPJDQZVDNGS-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320254;MM320254;C#CC(C)C(C)(C#N)C#N;DVLDQVOUPQRYBJ-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320255;MM320255;CNC(C)CCC(C)=CF;POGFDQOXQLVMGR-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320256;MM320256;C#CC(N)C(C)(C=C)C=C;ZIQWJMLMKUFWHZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320257;MM320257;CC=C(F)CCC(C)NC;MYTIABXWUZYLAH-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320258;MM320258;C#CC(O)C(C)(C#N)C=C;GOSWSMHEXCKNHF-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320259;MM320259;CNC(C)CCC(F)=CF;JJPOEPDSIHTZPX-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320260;MM320260;C#CC(O)C(C)(C=O)C=O;ZZBHYJOPPYLNIH-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320261;MM320261;C#CC(F)C(C)(C#N)C=O;HZEOQJUGLPXCSJ-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320262;MM320262;COC(C)CCC(C)=CF;AUBDXTBKVLKBHI-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320263;MM320263;COC(C)CCC(F)=CF;QZLLTEOEJGWPIP-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320264;MM320264;C#CC(N)C(N)(C=C)C=C;KWWSNXMGXVGFCX-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320265;MM320265;COC(C)CCC(C)=NN;YSMANSMBVCHNDO-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320266;MM320266;C#CC(O)C(O)(C=O)C=O;CYPAETJNNONYOT-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320267;MM320267;COC(C)CCC(C)=NO;XOMFEHUERIKRJX-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320268;MM320268;C#CC(O)C(O)(C#N)C=O;BBMAKXBNEKFULL-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320269;MM320269;CCC(C)CN=C(C)NC;OEPKQQXQNNORJW-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320270;MM320270;C#CC(F)C(O)(C=O)C=O;URVZLXLPLLCWOH-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320271;MM320271;CCC(C)CN=C(C)NN;PQBIVKHGVKILGJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320272;MM320272;C#CC(O)C(F)(C=O)C=O;JHJSNFKNDLMMAE-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320273;MM320273;CCC(C)CN=C(C)NO;SPERBDLSYQCCFC-UHFFFAOYSA-N;144.22;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320274;MM320274;C#CC(F)C(F)(C#N)C=O;ULQLSOKZINLKBK-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320275;MM320275;CC(=NCC(C)CO)NO;FTRAVWAASSUALL-UHFFFAOYSA-N;146.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320276;MM320276;C#CC(F)C(F)(C#N)C#N;IHTHRHSUZYHYDI-UHFFFAOYSA-N;140.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320277;MM320277;CN=C(C)NCC(C)CF;CJUVYINCBGYFKO-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320278;MM320278;CC(=NO)NCC(N)CN;CZTRDOCLORFORD-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320279;MM320279;CN=C(C)NCC(N)CO;XUZHISXTFYSEQS-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320280;MM320280;CN=C(C)NCC(N)CF;FLELXXIUBKLXMU-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320281;MM320281;CN=C(C)NCC(O)CN;CZZBSWPXAOMQNL-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320282;MM320282;CC(=NCC(O)CO)NN;PKKVMAAGFFCFKU-UHFFFAOYSA-N;147.18;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320283;MM320283;CN=C(C)NCC(F)CN;CMLIKQJGGUHEHW-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320284;MM320284;CC(=NN)NCC(F)CF;LDHIHUSASFUIPV-UHFFFAOYSA-N;151.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320285;MM320285;CNC(C)=NCC(C)NC;BBUPNMHOGDIQRC-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320286;MM320286;CNC(C)=NCC(C)OC;KVRUNHAIHDHTNK-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320287;MM320287;COC(C)CN=C(C)NO;JNPHOBRSWXIYJR-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320288;MM320288;CC=C(C)OCC(C)CC;XCJXRRJFRUUWFX-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320289;MM320289;CC(=CF)OCC(C)CO;JXIYQJDGFLBNIE-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320290;MM320290;CC=C(C)OCC(N)CC;HZWMAOKXNRZASO-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320291;MM320291;CCC(N)COC(C)=CF;IEIKFMYOSTYWNY-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320292;MM320292;CC=C(C)OCC(O)CC;WOUKQQHVQOWDNK-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320293;MM320293;CC=C(C)OCC(F)CO;PHWYLYDQQUXJLZ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320294;MM320294;CC(=CF)OCC(F)CO;QHVZMWHLIMEKEO-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320295;MM320295;CCC(C)COC(C)=NO;PIWOYFWHSYHVTM-UHFFFAOYSA-N;145.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320296;MM320296;CC(=NO)OCC(C)CF;CRPBKHDDDIVLOB-UHFFFAOYSA-N;149.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320297;MM320297;CC(=NO)OCC(N)CN;QQOFSIKNKRJAGR-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320298;MM320298;CC(=NO)OCC(N)CO;JRZLFDGTJFVFIO-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320299;MM320299;CC(=NO)OCC(O)CN;METPNVWVNBGCQK-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320300;MM320300;C=CCC(=C)C=CCCO;LIVRHXJWXBSPHO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320301;MM320301;CC(=NO)OCC(O)CO;RYOMPSFQZHKLSD-UHFFFAOYSA-N;149.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320302;MM320302;C=C(C=CCCO)CC=O;PRHXVCFEPZBCRP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320303;MM320303;CC(=NO)OCC(F)CN;CGYDVBDJSJIXLU-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320304;MM320304;C=C(C=CCCO)CC#N;ZPFIZQOORSBEFR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320305;MM320305;CC(=NO)OCC(F)CO;DDHLOSFLCBAZHZ-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320306;MM320306;CNC(C)COC(C)=CF;DQXIGVRXROCZES-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320307;MM320307;COC(C)COC(C)=CF;RFVYOVJCDZKXNI-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320308;MM320308;CC=C(C)CNC(C)CC;BUEMNXNHBLSGMB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320309;MM320309;CCC(C)NCC(C)=CF;DODDWXWPHNOKOV-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320310;MM320310;CC=C(C)CNC(C)CN;QOVNJJALTYBUHE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320311;MM320311;CC(=CF)CNC(C)CN;MWATWVWZXUWQEZ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320312;MM320312;CC=C(C)CNC(C)CO;FNSOQJDNBQSQDV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320313;MM320313;CC=C(C)CNC(C)CF;VEKKHJLLVMFWAM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320314;MM320314;CC=C(F)CNC(C)CN;QQOZOBHWOQADMC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320315;MM320315;CC(CF)NCC(F)=CF;NELJNSNRGXHQMO-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320316;MM320316;CCC(C)NCC(C)=NN;ARRBNGOMKQMSHV-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320317;MM320317;CC(CNC(C)CN)=NO;ASHFQVSWXAGQQZ-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320318;MM320318;CN=C(C)NNC(C)CO;UHIYTDLBUMOCKU-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320319;MM320319;CN=C(C)NNC(C)CF;WPRILLKHHBSFSK-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320320;MM320320;CC=C(C)COC(C)CC;DAPPXSFCDCTOTB-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320321;MM320321;CC(CN)OCC(F)=CF;FJEIYHAEZWLXKK-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320322;MM320322;CC(CO)OCC(F)=CF;RXKPUDAJLKIBJF-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320323;MM320323;CCC(C)OCC(C)=NN;RLQBSIIWRCREMV-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320324;MM320324;CCC(C)OCC(C)=NO;GFODDGNSPYDHSC-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320325;MM320325;CC(COC(C)CN)=NO;VNQKDRISMBDSTQ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320326;MM320326;C=COC(=C)C=CCCO;OQVILXXNTUVWKD-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320327;MM320327;CC=C(F)COC(C)OC;HLTHPDMPSAINAZ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320328;MM320328;COC(C)OCC(F)=CF;IHOGBCDRJBCGGM-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320329;MM320329;C#CCC(=C)C=CCCO;UYFYADWBLTUXPC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320330;MM320330;C=C(C=CC)C=CCCO;RVWHYMOOUGETTI-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320331;MM320331;COC(C)ON=C(C)NN;IUTLBXVQIRRTAK-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320332;MM320332;CC=C(C)CCN(C)CC;BAXVLHZUXSMFIE-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320333;MM320333;CCN(C)CCC(C)=CF;POHOZMOGDVMDTD-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320334;MM320334;CC=C(F)CCN(C)CC;XXDWQTLKZAYTSB-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320335;MM320335;C=CC(C)CCC(C)=CC;XKCCVCRANCQADC-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320336;MM320336;C=CC(C)CCC(C)=CF;SYVZKNUDLRVJEE-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320337;MM320337;CC=C(C)CCC(C)C=O;WVEBRBJCBLUZED-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320338;MM320338;CC=C(C)CCC(C)C#N;GKVKKPZJPVAILB-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320339;MM320339;CC(=CF)CCC(C)C=O;HPMVYLIAAJBWLQ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320340;MM320340;CC=C(F)CCC(C)C=O;CIYAYKSFYZKBFD-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320341;MM320341;CC(C=O)CCC(F)=CF;SKSBVKDLUKWEDB-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320342;MM320342;CC(C#N)CCC(F)=CF;ZPCKINYFAHODNG-UHFFFAOYSA-N;145.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320343;MM320343;C=CC(N)CCC(C)=CC;HYNFKUWPCDTJHS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320344;MM320344;C=CC(N)CCC(C)=CF;DMZVUDDGHYAGDB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320345;MM320345;C=CC(N)CCC(F)=CF;TYWBRVUDSWHRMH-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320346;MM320346;C=C(C=CF)C=CCCO;WEEBCINSQIVGIB-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320347;MM320347;CC#CC(=O)C=CCCO;CMQFKLJXBHSGKC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320348;MM320348;CC=C(C)CCC(O)C#N;LWABVMJLFSFGQX-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320349;MM320349;C=CC(O)CCC(F)=CC;MFOIQMGMTKAMCV-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320350;MM320350;C=CC(F)CCC(C)=CC;KWZWFIDRWWHTQA-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320351;MM320351;CC=C(C)CCC(F)C#N;SEYBQPGPDXBJMS-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320352;MM320352;CC(=CF)CCC(F)C=O;JJFSGRHNJSRSSO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320353;MM320353;CC(=CF)CCC(F)C#N;LPAFZHDARPTPMG-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320354;MM320354;CC=C(F)CCC(F)C=O;OFSMZPHVTZJNFH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320355;MM320355;O=CC(F)CCC(F)=CF;CCFDSDOBUHZNND-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320356;MM320356;C=CC(C)CCC(C)=NN;CGALNPMFGWGDTR-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320357;MM320357;CCC=C(C)C=CCCO;DZLVRALMHSVITK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320358;MM320358;CC(CCC(C)C=O)=NO;XNSHEDNMGBGPAH-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320359;MM320359;CC(CCC(C)C#N)=NO;YIWVZWQXOAWZIP-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320360;MM320360;COC=C(C)C=CCCO;FHXNUUNWDWCVSG-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320361;MM320361;CC(CCC(O)C=O)=NO;OWKCMVFINMGQOS-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320362;MM320362;C=CC(F)CCC(C)=NN;PGRLYGFWFJKFIY-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320363;MM320363;C=CC(C)CNC(C)=NC;HRQMIGNIVXULFO-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320364;MM320364;CN=C(C)NCC(C)C#N;UISLUONYKUDLIU-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320365;MM320365;CC(=NCC(C)C=O)NO;VKFDTUAQXMIQRJ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320366;MM320366;C=CC(O)CNC(C)=NN;FOMMKNWAPZWFNG-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320367;MM320367;C=CC(F)CNC(C)=NC;WQXSVZKHNSOOJB-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320368;MM320368;C=CC(F)CNC(C)=NN;CDUYQFQUQABMSM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320369;MM320369;CC(C=CCCO)=CC=O;WMDHVUWKIBRJTK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320370;MM320370;CC=C(C)OCC(C)C=O;HOBHBLGRFOHJEC-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320371;MM320371;CC=C(C)OCC(C)C#N;BKWOEESMQRUBAU-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320372;MM320372;CC(=CF)OCC(C)C#N;HBDIXRZEXISTJT-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320373;MM320373;C=CC(N)COC(C)=CC;KWIUSVRWIZFBCH-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320374;MM320374;CC=C(C)OCC(O)C#N;MPXUBKOHMKQFSS-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320375;MM320375;C=CC(F)COC(C)=CC;YLSCAFHRKFRWIW-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320376;MM320376;CC=C(C)OCC(F)C=O;NFWDTCOQFHBPNG-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320377;MM320377;C=CC(C)COC(C)=NO;NWUBSLVATMLVGG-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320378;MM320378;CC(=NO)OCC(O)C=O;FCKZFZHJKBKHRP-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320379;MM320379;CC(=NO)OCC(O)C#N;NJDLVADNACNEHO-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320380;MM320380;C=CC=C(F)C=CCCO;SKWZFVAPGBXFJK-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320381;MM320381;C=CC(F)COC(C)=NO;HXWKUWPRSMKIGN-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320382;MM320382;CC(=NO)OCC(F)C=O;PJVADVZYMZNVHZ-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320383;MM320383;C=CC(C)NCC(C)=CC;HUILGOJKCTUZJZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320384;MM320384;C=CC(C)NCC(C)=CF;BDHOCRLMZVNIMD-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320385;MM320385;O=CC=C(F)C=CCCO;ZRZRLRSKYUQZHF-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320386;MM320386;CC(C#N)NCC(F)=CF;KVOMRWSIBWMONN-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320387;MM320387;CC(CNC(C)C#N)=NO;XGDMTFQGEDYSCV-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320388;MM320388;CC=C(C)COC(C)C#N;RNMZDQLXPAKBOA-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320389;MM320389;CC=C(F)COC(C)C#N;AHQUYPGSRIFZBD-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320390;MM320390;CC(C=O)OCC(F)=CF;FIJHRGIFLTWIQC-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320391;MM320391;C=CC(C)OCC(C)=NO;PCIOVKYRYOFBLU-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320392;MM320392;C=CC(C)ON=C(C)NN;KDCPRYIEEIXUIX-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320393;MM320393;CC=C(C)CCN(C)C=N;HDQANLONQZQRAR-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320394;MM320394;CC(=CF)CCN(C)C=N;PKSJLAXBNLRKDE-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320395;MM320395;CC=C(C)CCN(C)C=O;AVWQUBQZBQCHFI-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320396;MM320396;CC=C(F)CCN(C)C=N;NLXAIKARZRUHJP-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320397;MM320397;CN(C=N)CCC(F)=CF;SGZDEEZXKYOODX-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320398;MM320398;CC=C(F)CCN(C)C=O;FKBWOBVVDMHJHL-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320399;MM320399;CN(C=O)CCC(F)=CF;IPGMAWKQGORIMV-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320400;MM320400;CC=C(C)CCN(N)C=N;ZRXIKJSAUVIGSW-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320401;MM320401;CC=C(C)CCN(N)C=O;BBMKRXJDTZSGNH-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320402;MM320402;CC=C(F)CCN(N)C=N;FZFHYSFZVFRTGG-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320403;MM320403;CC=C(F)CCN(N)C=O;SYVCPQHJGIQIGX-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320404;MM320404;CC=C(C)CCN(O)C=N;ALDCOHZSQUINBK-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320405;MM320405;CC=C(C)CCN(O)C=O;CNWZBVFUKNRKSL-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320406;MM320406;CC(=CF)CCN(O)C=O;FKLJGUHHHLPBOG-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320407;MM320407;CC=C(F)CCN(O)C=O;MIONVAJHVATHIT-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320408;MM320408;CC(CCN(C)C=N)=NN;FPGVZAMLGMUADW-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320409;MM320409;CC(CCN(C)C=N)=NO;CUVVEGUQVFNFBT-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320410;MM320410;CC(CCN(N)C=N)=NN;AYRXWIKXLIPNIG-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320411;MM320411;CC(CCN(N)C=N)=NO;GNGUXTRBIIRPDB-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320412;MM320412;CC(CCN(N)C=O)=NN;HASRVXDPKHPQGF-UHFFFAOYSA-N;144.18;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320413;MM320413;CC(CCN(N)C=O)=NO;OAZUOFMYFBULGO-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320414;MM320414;CC(CCN(O)C=N)=NN;MRBXGADSKFEPAJ-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320415;MM320415;CC(CCN(O)C=O)=NO;IUZTXJBQOFTUQZ-UHFFFAOYSA-N;146.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320416;MM320416;C=NN(C)CCC(C)=CC;DVWFITARFCLVQF-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320417;MM320417;C=NN(C)CCC(C)=CF;MONAPPGGUUMJCI-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320418;MM320418;C=NN(C)CCC(F)=CC;JZJUSUCFUDIDKE-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320419;MM320419;C=NN(C)CCC(F)=CF;PRRARGIAGLADQC-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320420;MM320420;N#CC=C(F)C=CCCO;BDTQOWIOZHFBSF-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320421;MM320421;CN(C=N)NCC(F)=CF;WHTTUCINCXHZAH-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320422;MM320422;CC=C(F)CNN(C)C=O;KGFXBPAHOOQSGO-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320423;MM320423;CC(CNN(C)C=N)=NO;ZNUXYYIGPFYQHF-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320424;MM320424;CC(CNN(C)C=O)=NN;QWMLDSJJJXMYAM-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320425;MM320425;CC(CNN(C)C=O)=NO;IMYNZWGUWRBVEL-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320426;MM320426;CC(=CF)CON(C)C=O;GRTSBZLRDRLCKD-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320427;MM320427;CN(C=O)OCC(F)=CF;NQBARSMFBUKCQQ-UHFFFAOYSA-N;151.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320428;MM320428;CC(CON(C)C=O)=NN;CMDYRWBRQINQTA-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320429;MM320429;C#CC(C)CCC(C)=CC;CFOWGXDRGHRWLX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320430;MM320430;C#CC(C)CCC(C)=CF;DCMXOQDEDVKUHA-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320431;MM320431;C#CC(C)CCC(F)=CC;OZOKDCWJNIVYBJ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320432;MM320432;C#CC(C)CCC(F)=CF;RHJOIGKAOHVJEH-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320433;MM320433;C#CC(N)CCC(C)=CF;BKQXIXPFXLNMQT-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320434;MM320434;C#CC(N)CCC(F)=CC;FIHQTZFIFZYBHJ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320435;MM320435;C#CC(N)CCC(F)=CF;YOGAMRUYJVZSAJ-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320436;MM320436;C#CC(O)CCC(C)=CC;GWVLCARUEIMOJS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320437;MM320437;C#CC(O)CCC(C)=CF;VIHOGTYPIBEGLQ-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320438;MM320438;C#CC(O)CCC(F)=CC;OIFDQZSEEBHBFB-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320439;MM320439;C#CC(O)CCC(F)=CF;XXMXUIOFBJRFGI-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320440;MM320440;C#CC(F)CCC(C)=CC;CMIYHBXEEXZFHM-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320441;MM320441;C#CC(F)CCC(F)=CC;UDKLFMLUZYHQGS-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320442;MM320442;C#CC(C)CCC(C)=NN;SAWINKDHTDNKLR-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320443;MM320443;C#CC(C)CCC(C)=NO;IGGKAHKXPNCABO-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320444;MM320444;C#CC(C)CNC(C)=NC;XVQKXOCXMRDWTF-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320445;MM320445;C#CC(C)CN=C(C)NN;JBRXTDZFGBAYDN-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320446;MM320446;C#CC(N)CNC(C)=NC;IKQLWVRZXOGATD-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320447;MM320447;C#CC(F)CNC(C)=NC;XPIZLFCMVVIWJZ-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320448;MM320448;C#CC=C(C)C=CCCO;QKVZNQRTFNENNE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320449;MM320449;C#CC(C)COC(C)=CC;ASIBDFSMYCONKP-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320450;MM320450;C#CC(O)COC(C)=CC;JNVZZDHFNISMNW-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320451;MM320451;C#CC(O)COC(C)=CF;PRAVWBJTTHVMMW-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320452;MM320452;C=C(CC#CC#N)C(C)O;MYHHWEQWUGCIFR-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320453;MM320453;C#CC(C)COC(C)=NO;YXQDJGATIVAHLE-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320454;MM320454;C=CCC=CC(C)C(N)=O;YCESIGIINRHIRA-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320455;MM320455;C#CC(O)COC(C)=NO;UCOQQUSYKSSYNP-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320456;MM320456;C=C(C=CCCO)C(C)C;VZIHCOGXZWVYNA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320457;MM320457;C#CC(F)COC(C)=NO;UJEJWXRJBSZHIZ-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320458;MM320458;C#CC(C)NCC(C)=CC;SGBZDHBEDMGGAK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320459;MM320459;C#CC(C)OCC(C)=CC;VJRXMKYOYOQYOM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320460;MM320460;C#CC(C)OCC(F)=CC;LPTHMWLQOMWOPJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320461;MM320461;C#CC(C)OCC(F)=CF;POVAOLQLIDVRLG-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320462;MM320462;C#CC(C)OCC(C)=NO;BCNGVQVBCOJHCT-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320463;MM320463;C#CC(C)ONC(C)=NC;QDXWBFUKEIZERD-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320464;MM320464;C#CC(C)ON=C(C)NN;PWQYWNVQTHOOOG-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320465;MM320465;CC(C)C(=O)C=CCCO;AMRFVSRUGHITEL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320466;MM320466;C=C(CC)CCC(C)=CC;QLVMMGNHEMYSGM-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320467;MM320467;C=C(CC)CCC(C)=CF;HUAMNORJQNECCI-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320468;MM320468;C=C(CN)CCC(C)=CC;RLTCLXQKTJBCOR-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320469;MM320469;C=C(CN)CCC(C)=CF;QGPUTIKOMUPQOT-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320470;MM320470;C=C(CO)CCC(C)=CC;HWPVIIIDNNWMOW-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320471;MM320471;C=C(CO)CCC(C)=CF;QZMHGQJHCROGDE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320472;MM320472;C=C(CF)CCC(C)=CC;PYPNKLWZOGLQAX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320473;MM320473;C=C(CF)CCC(C)=CF;QJXLCRFHGRXJMG-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320474;MM320474;C=C(CC)CCC(F)=CC;NHBRLJFZBSKXAC-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320475;MM320475;C=C(CC)CCC(F)=CF;ZHZVOJAYLDCLMS-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320476;MM320476;C=C(CN)CCC(F)=CC;MTEPXKJFUCKWCF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320477;MM320477;C=C(CO)CCC(F)=CC;RPEAZRSEGWGXJI-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320478;MM320478;C=C(CO)CCC(F)=CF;HLJHLRWCRKRJQK-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320479;MM320479;C=C(CF)CCC(F)=CF;KHKCWVIOODVHQA-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320480;MM320480;CC=C(C)CCC(=O)CC;YPGHOAIBHULHNO-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320481;MM320481;CCC(=O)CCC(C)=CF;JCJCZSXKYZUTOP-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320482;MM320482;CC=C(C)CCC(=O)CF;IJGWFNIYLLYFPX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320483;MM320483;CC=C(F)CCC(=O)CC;BUGQQFAVOJZCKJ-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320484;MM320484;CCC(=O)CCC(F)=CF;XIMZIIUTUJGQLR-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320485;MM320485;C=C(CC)CCC(C)=NN;PDOCXKYEZGWEMJ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320486;MM320486;CN(C)C(=O)C=CCCO;QLMNVIJJBZJYQE-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320487;MM320487;C=C(C)C(=C)C=CCCO;BITKPCFBIKETJV-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320488;MM320488;C=C(CF)CCC(C)=NN;FIPRXHSVCJPRHX-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320489;MM320489;CCC(=O)CCC(C)=NO;HDPFTFDZJBVLBG-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320490;MM320490;CC=C(C)CCC(=N)NC;KHXAFPGVAIWMEG-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320491;MM320491;CNC(=N)CCC(C)=CF;XRFNKAFFWRCRHT-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320492;MM320492;CC=C(C)CCC(=N)NN;HOWJKWWDGALTPD-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320493;MM320493;CNC(=N)CCC(F)=CF;POHONRRBDPNHAZ-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320494;MM320494;CC=C(F)CCC(=N)NN;HPQHBOKMUAVDPH-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320495;MM320495;CC=C(F)CCC(=N)NO;TZMMFJQFVSBNMI-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320496;MM320496;C=C(C=CCCO)C(C)=O;FYGKWYULDCCFEV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320497;MM320497;CNC(=O)CCC(C)=CF;FKJJKDJDMWMPAS-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320498;MM320498;CC=C(C)CCC(=O)NO;ZIPJCKBFVKOGQZ-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320499;MM320499;CC=C(F)CCC(=O)NC;FVRUFCLIUWXXNZ-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320500;MM320500;CNC(=O)CCC(F)=CF;DZFNOPXWAUUNKF-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320501;MM320501;C=C(F)C(=C)C=CCCO;RKSMHCNATNXCQB-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320502;MM320502;C=C(C)C(=O)C=CCCO;DUMNURSEGQTVKD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320503;MM320503;CC=C(F)CCC(=O)NO;IHAXXTICCJUOQI-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320504;MM320504;CC(CCC(=N)NN)=NN;BQISEIBAFAANPQ-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320505;MM320505;CC(CCC(=N)NO)=NN;KSVFKGKMHKGGNM-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320506;MM320506;CNC(=O)CCC(C)=NO;LSRSEVCTRBSAEQ-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320507;MM320507;CC(CCC(=O)NN)=NO;SMKHHIFLNVNHCT-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320508;MM320508;CC(CCC(=O)NO)=NN;AXKYBVBQMUHIAS-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320509;MM320509;CC(CCC(=O)NO)=NO;AFOANMFUPUUXIG-UHFFFAOYSA-N;146.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320510;MM320510;C=C(CCC(C)=CC)OC;WVFKQHQVOMCNFH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320511;MM320511;C=C(CCC(C)=CF)OC;FFCJXLIVYIXCSP-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320512;MM320512;C=C(CCC(F)=CC)OC;XLBILIAIVDXVLC-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320513;MM320513;C=C(CCC(F)=CF)OC;WQPLPPGRDROQJJ-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320514;MM320514;CC=C(C)CCC(=O)OC;URJIUPHKTWOGMR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320515;MM320515;COC(=O)CCC(C)=CF;RIIFFZVRTUNHOP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320516;MM320516;COC(=O)CCC(F)=CF;SXXOBZUDZAUKTO-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320517;MM320517;C=C(CCC(C)=NO)OC;XEQXGBBGLIBKAV-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320518;MM320518;C=C(CN)CNC(C)=NC;JODKSIVLUWDJOY-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320519;MM320519;C=C(CN)CNC(C)=NO;ZGPQHNSLELININ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320520;MM320520;C=C(CO)CNC(C)=NN;CAAOENXXZKLOEX-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320521;MM320521;C=C(CF)CNC(C)=NC;RKAAAZKPYITFGE-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320522;MM320522;CN=C(C)NCC(=O)CO;UJJQFQLBQFBJBS-UHFFFAOYSA-N;144.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320523;MM320523;CNC(=N)CN=C(C)NC;XLVSTYDCCUBAPM-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320524;MM320524;CNC(=N)CN=C(C)NN;SODMILLEMWEUIN-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320525;MM320525;CN=C(C)NCC(=N)NN;AYFVBCNKPWCYOO-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320526;MM320526;CC(=NN)NCC(=N)NN;YCFIUSJTQBVKEA-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320527;MM320527;CC(=NO)NCC(=N)NN;QUIFBCZVHAFYJO-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320528;MM320528;CC(=NN)NCC(=N)NO;KQPJBPLSOXCDLW-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320529;MM320529;CC(=NO)NCC(=N)NO;LYZLWTXCWXFDNI-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320530;MM320530;CNC(=O)CN=C(C)NN;KNPGAEWJULOEJW-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320531;MM320531;CN=C(C)NCC(=O)NN;FWCXYCWCPOQIRB-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320532;MM320532;CC(=NO)NCC(=O)NO;CARWCVJWNAGEHB-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320533;MM320533;C=C(CN=C(C)NC)OC;SEKCTSLQEPHSRG-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320534;MM320534;C=C(CN=C(C)NN)OC;ZIBOEOXHZPZPBY-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320535;MM320535;C=C(CC)COC(C)=CC;PJACYVFTABMFOW-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320536;MM320536;C=C(CC)COC(C)=CF;FRJSTVSYIHJFQN-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320537;MM320537;C=C(CN)COC(C)=CC;LMQXQTSUMPOICZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320538;MM320538;C=C(CF)COC(C)=CC;RAHPAARWOKODIW-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320539;MM320539;C=C(CF)COC(C)=CF;RZHSIWOLNZECRP-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320540;MM320540;CCC(=O)COC(C)=CF;QMFGSMLAWCBKIH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320541;MM320541;CC=C(C)OCC(=O)CF;AVPUDPQPSDXJDJ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320542;MM320542;C=C(CN)COC(C)=NO;KFNHEUULPSUKTC-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320543;MM320543;CC=CC=CC(C)C(N)=O;KJFAHVVMHJOMDT-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320544;MM320544;C=C(CF)COC(C)=NO;XEUGPRFADYIASX-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320545;MM320545;CC(=NO)OCC(=O)CO;ABEKUZUJQNVYHQ-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320546;MM320546;CC(=NO)OCC(=O)CF;VKNLFASJHNHEEK-UHFFFAOYSA-N;149.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320547;MM320547;CC=C(C)OCC(=N)NC;BPLKSLZNTVMQKT-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320548;MM320548;CC=C(C)OCC(=O)NC;IRCQCOIUTFLRIZ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320549;MM320549;CC(=NN)OCC(=N)NN;XVQJZXGFYSBLLI-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320550;MM320550;CC(=NO)OCC(=N)NN;XIOREXRMEMGVQS-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320551;MM320551;CC(=NO)OCC(=N)NO;NPYYDMMECHPMFH-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320552;MM320552;C=CCC(=C)C(C)C(N)=O;ZCZKSNHIJKDERZ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320553;MM320553;CNC(=O)COC(C)=NO;MJRHNABCUDZTKH-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320554;MM320554;C=C(C)C(O)C(=C)C#CC;RXLCZHFMAQTTBZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320555;MM320555;CC(=NN)OCC(=O)NO;QUTQEVGENDTLHR-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320556;MM320556;C=C(COC(C)=CF)OC;RDVJFOJWZYVRJI-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320557;MM320557;CC=C(C)OCC(=O)OC;NNOYUXHVACERHC-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320558;MM320558;COC(=O)COC(C)=CF;UKLFBWOZQHPFNK-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320559;MM320559;C=CC=C(C)C(C)C(N)=O;ORAPYNWUINMMNZ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320560;MM320560;C=C(COC(C)=NO)OC;DUXLPWUDZWDLFD-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320561;MM320561;CC=C(C)CNC(=N)CC;CTFCAYVWYYQHPH-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320562;MM320562;N=C(CN)NCC(F)=CF;JHWXEAKIGRHWID-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320563;MM320563;CCC(=O)NCC(C)=CF;VWPVXQWMDYLVTE-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320564;MM320564;CC=C(F)CNC(=O)CO;OTBBGGMONWGTAK-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320565;MM320565;CC=C(F)CNC(=O)CF;RDPWSGSCTSACBW-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320566;MM320566;O=C(CF)NCC(F)=CF;TVMHQHJIRPDNMI-UHFFFAOYSA-N;153.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320567;MM320567;CC(CNC(=N)CN)=NO;KASNSSIVZKNNDS-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320568;MM320568;CC(CNC(=N)CO)=NN;OXDDLHWVEALKAZ-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320569;MM320569;CC(CNC(=N)CO)=NO;QSWJPHSNJOESOB-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320570;MM320570;C#CC(C=CC(C)O)=CC;XLNVJUYZYQABPI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320571;MM320571;CC(CNC(=O)CO)=NO;FPMFRHCHGBACAJ-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320572;MM320572;CC(CNC(=O)CF)=NO;DIAOFMVYKHZGNC-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320573;MM320573;CC=C(C)CNC(=N)NC;YTFWRMXQRNJNKK-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320574;MM320574;CNC(=N)NCC(C)=CF;SQNQUONRKUKUFP-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320575;MM320575;CC=C(F)CNC(=N)NC;YXBSHZPOMMGASY-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320576;MM320576;CC=C(F)CNC(=N)NN;RFYMNGZARGAPGG-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320577;MM320577;CC=C(F)CNC(=O)NC;BFNWVNBAGJRNCI-UHFFFAOYSA-N;146.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320578;MM320578;CCC(C)=CC=CCCO;HMBQGBRHUUEJTK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320579;MM320579;CNC(=N)NCC(C)=NO;KAVOYZWQDWDLRL-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320580;MM320580;CC(CNC(=N)NN)=NN;IXOCDEWNMWNOHJ-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320581;MM320581;CC(CNC(=N)NN)=NO;DPCLOSOITVWFHW-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320582;MM320582;CC(CNC(=N)NO)=NN;XCYPOPSABCPMLJ-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320583;MM320583;CC(CNC(=N)NO)=NO;GZDOWZMKUOXMLU-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320584;MM320584;CC(C#N)=CC=CCCO;IZKVGJWAMNEQEJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320585;MM320585;CNC(=O)NCC(C)=NO;BHRRPEXQAWAEJZ-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320586;MM320586;CC(CNC(=O)NN)=NO;XRSKHTUMYQVEIF-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320587;MM320587;CC(CNC(=O)NO)=NO;AAPFCFDIFUAMHI-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320588;MM320588;COC(=O)NCC(F)=CF;HIISVJNWYLTXAV-UHFFFAOYSA-N;151.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320589;MM320589;COC(=O)NCC(C)=NO;KANGWUMEBRIYMW-UHFFFAOYSA-N;146.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320590;MM320590;CCC(=N)NNC(C)=NO;MPRVSHNQBHTGHK-UHFFFAOYSA-N;144.18;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320591;MM320591;CN=C(C)NNC(=N)CO;JBPSXDRQLYTCQU-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320592;MM320592;CC(=NN)NNC(=N)CO;VFPYOECJWFFCAA-UHFFFAOYSA-N;145.17;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320593;MM320593;CC(=NO)NNC(=N)CO;WSEGHHKDHMMYEL-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320594;MM320594;C#CC(CCCO)C(=C)C;AWVAUASMIGZIAZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320595;MM320595;CCC(=O)NN=C(C)NO;DZORPZHDDIGMDZ-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320596;MM320596;CC(=NO)NNC(=O)CO;RFDHSKMTJGRAGI-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320597;MM320597;CN=C(C)NNC(=O)CF;CNISBBZNQLLNQM-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320598;MM320598;CN=C(C)NNC(=N)NC;IYQUUKAETZYDGX-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320599;MM320599;CN=C(C)NNC(=N)NN;HMCUDFSNWZJFGB-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320600;MM320600;CC(=NO)NNC(=N)NN;HXBCBEAENYEBSP-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320601;MM320601;CN=C(C)NNC(=N)NO;CVKWHPVECYTNRA-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320602;MM320602;CN=C(C)NNC(=O)NC;UAYCJPSOMIXPBO-UHFFFAOYSA-N;144.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320603;MM320603;CNC(=O)NN=C(C)NO;SOZTWSYGIJVVLK-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320604;MM320604;CN=C(C)NNC(=O)NN;QZBDOCAKPWUIFU-UHFFFAOYSA-N;145.17;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320605;MM320605;CC(=NO)NNC(=O)NN;ZUZRZOJOSRKIEF-UHFFFAOYSA-N;147.14;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320606;MM320606;CN=C(C)NNC(=O)NO;JUHHBIPDZSGEPC-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320607;MM320607;CC(=NO)NNC(=O)NO;JRMXRTJNQXNVIF-UHFFFAOYSA-N;148.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320608;MM320608;CNC(C)=NNC(=N)OC;CAZSVQXHVHDESJ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320609;MM320609;C=CC=CC(CC)C(N)=O;GDWPQJAZVCMGIE-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320610;MM320610;C=C(C)C1CC1C(=C)CO;FZBHZTUPXWPJSN-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320611;MM320611;C=NNC(=NNC)C(=O)O;BDOZQSWWRKASHJ-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320612;MM320612;CC(=NN)ONC(=N)NN;YFSVZVOKUIMQNX-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320613;MM320613;CNC(=O)NOC(C)=NN;VMFFSKLVSCLLBA-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320614;MM320614;CNC(=O)NOC(C)=NO;CGDUASYWMWNNHM-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320615;MM320615;CC(=NN)ONC(=O)NN;ARFSLOJJGDVZQM-UHFFFAOYSA-N;147.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320616;MM320616;CC(=NN)ONC(=O)NO;ZCICFUJLYWXYRN-UHFFFAOYSA-N;148.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320617;MM320617;OCCC=CC(=CF)CF;PVFBCLATOCOZRJ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320618;MM320618;CC=C(C=CCCO)OC;LRKUMBINNFTUHW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320619;MM320619;COC(=O)NOC(C)=NN;XENLIVKACKYXBG-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320620;MM320620;C=C(CC)OCC(C)=CC;NQGWRYQTOXSVMC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320621;MM320621;C=C(CC)OCC(C)=CF;MNNUPMVGCYJVHK-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320622;MM320622;C=C(CN)OCC(C)=CC;CPVLUDFHERNLMB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320623;MM320623;C=C(CN)OCC(F)=CC;WNPVLTDBOMYCEX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320624;MM320624;C=C(CN)OCC(F)=CF;HDUOOPAWTHTEPY-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320625;MM320625;C=C(CO)OCC(F)=CF;KLMYFVBNADKCAO-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320626;MM320626;C=C(CF)OCC(F)=CC;IXSVLLIAWFQYGA-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320627;MM320627;CC=C(C)COC(=O)CC;FYDBPGUOPSLVEM-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320628;MM320628;CCC(=O)OCC(C)=CF;LJFYEAKVDIYBTH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320629;MM320629;CCC(=O)OCC(C)=NN;GCHWXZRPKXOENL-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320630;MM320630;CC(COC(=O)CF)=NN;KOQGDTSHDSCJNP-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320631;MM320631;CNC(=N)OCC(F)=CF;NLXQKACFYGRTBW-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320632;MM320632;CC=C(C)COC(=O)NO;KNDMWXIWRFQALG-UHFFFAOYSA-N;145.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320633;MM320633;CNC(=O)OCC(F)=CF;SYRGFUADTFODGD-UHFFFAOYSA-N;151.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320634;MM320634;C=CC(C=CCCO)=CC;CSESCMMPXJDAHO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320635;MM320635;C=CC(C=CCCO)=CF;IWMWVYHXACUGNX-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320636;MM320636;CC=C(C=O)C=CCCO;YBFAFAYLIFGEMG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320637;MM320637;CC=C(C#N)C=CCCO;UJJOFFUZZIMZTA-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320638;MM320638;O=CC(C=CCCO)=CF;QCZJHKSQAODWMX-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320639;MM320639;N#CC(C=CCCO)=CF;AIYKWZCOFQCUCY-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320640;MM320640;C#CC(C=CCCO)=CC;LRJCPEBTFBXRQM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320641;MM320641;C#CC(C=CCCO)=CF;CNGFIHDFDQXMHN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320642;MM320642;CC(=NOC(=O)NN)NO;IWCDFCVDYQYGAN-UHFFFAOYSA-N;148.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320643;MM320643;CC=CC1CC=C(CO)C1;FFFRZRTZSJANEC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320644;MM320644;C=CC(=C)CCC(C)=CC;QURGIZAVLZCISI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320645;MM320645;C=CC(=C)CCC(C)=CF;ORTWYFPGQWTJRX-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320646;MM320646;C=C(C=O)CCC(C)=CC;MIPLPKCEDXRDAJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320647;MM320647;C=C(C#N)CCC(C)=CC;QCXDRRIQDHQFEG-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320648;MM320648;C=C(C=O)CCC(C)=CF;FLZBHFNPPGFEEE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320649;MM320649;C=C(C#N)CCC(C)=CF;AQVHHWMJPHPPEC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320650;MM320650;C=CC(=C)CCC(F)=CC;XCSIOCKNZCRIAN-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320651;MM320651;C=CC(=C)CCC(F)=CF;BMUBZLWWJWVRQD-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320652;MM320652;C=C(C=O)CCC(F)=CC;YSAWHDAHFOUKNC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320653;MM320653;C=C(C#N)CCC(F)=CC;FWFWZNYSKZANRA-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320654;MM320654;C=C(C=O)CCC(F)=CF;LGTNRLPXTQLVCR-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320655;MM320655;C#CC1(C)C=NN(C=N)C1;XKOOLEWYEJWIAH-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320656;MM320656;C=C(C#N)CCC(F)=CF;FYOZTUBVWXBWJX-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320657;MM320657;C#CC1(C)C=NN(C=O)C1;ZYUCWTXOVPUIOP-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320658;MM320658;C=CC(=O)CCC(C)=CC;OLFMLSASKGLAKB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320659;MM320659;C#CC1(N)C=NN(C=N)C1;CVSGVEVCABKWCK-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320660;MM320660;C=CC(=O)CCC(C)=CF;CELOGCIGHJEUBT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320661;MM320661;CCC(C#CCC=O)CO;RBUBXIRVLGGVJH-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320662;MM320662;CC=C(C)CCC(=O)C=O;YPIUZGDINIJCHI-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320663;MM320663;C#CC1(O)C=NN(C=O)C1;IYZCMZPAGLEYAI-UHFFFAOYSA-N;138.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320664;MM320664;CC=C(C)CCC(=O)C#N;WQKVALYXXXDSGE-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320665;MM320665;C#CC1(F)C=NN(C=N)C1;GPIFAUSRQSQCIP-UHFFFAOYSA-N;139.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320666;MM320666;CC(=CF)CCC(=O)C=O;ROHBJPSQGNMNGH-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320667;MM320667;C#CC1(F)C=NN(C=O)C1;FYUGIKKSFZPHFE-UHFFFAOYSA-N;140.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320668;MM320668;CC(=CF)CCC(=O)C#N;XNBKXPCJMJLAEJ-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320669;MM320669;C#CC1(C)CN(C=O)C=N1;NYMPYCZXMMOMMK-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320670;MM320670;C=CC(=O)CCC(F)=CC;GGKJWGBJPGKILQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320671;MM320671;C#CC1(C)CN(N=C)C=N1;GYFIOUMNKNNPSM-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320672;MM320672;C=CC(=O)CCC(F)=CF;UUAQHVLKWSPGGR-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320673;MM320673;C#CC1(C)C=CN(C=N)N1;NNLZECZCVDPXSH-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320674;MM320674;CC=C(F)CCC(=O)C=O;LSDIUNPDRVGBKU-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320675;MM320675;C#CC1(C)C=CN(C=O)N1;HJFUULXDEZAHHC-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320676;MM320676;CC=C(F)CCC(=O)C#N;SXOPNOJNSJOWSE-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320677;MM320677;C#CC1(C)C=CN(C=O)O1;NGNNPZBZKPZHSW-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320678;MM320678;O=CC(=O)CCC(F)=CF;VNXLOUGUKVAGDK-UHFFFAOYSA-N;148.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320679;MM320679;C#CC1C=CC(C)(C#C)C1;FDARARIJZANNGC-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320680;MM320680;N#CC(=O)CCC(F)=CF;LQMJYPZYFKCLBE-UHFFFAOYSA-N;145.11;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320681;MM320681;C#CC1C=CC(N)(C#C)C1;ATYARQVASYDDLJ-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320682;MM320682;C=CC(=C)CCC(C)=NN;OAYQERIDAADHAQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320683;MM320683;C#CC1C=CC(O)(C#C)C1;FJLWXFWHAWXSBV-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320684;MM320684;C=CC(=C)CCC(C)=NO;PITCELMNRHWEJT-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320685;MM320685;C#CC1C=CC(F)(C#C)C1;YXYNHBBZIJOMFH-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320686;MM320686;C=C(C=O)CCC(C)=NO;BXUHMYGVCWCDHC-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320687;MM320687;C#CC1C=CC(C)(C#C)N1;PYWGKCYUYFXMKT-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320688;MM320688;C=C(C#N)CCC(C)=NO;SMLVRISMAMOHKB-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320689;MM320689;C#CC1C=CC(C)(C#C)O1;IDYDHSWCQMRFPY-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320690;MM320690;C=CC(=O)CCC(C)=NO;UOXKUWJSWRQJRQ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320691;MM320691;CC=C1C=CC(C)(CC)C1;LIWGSQOYAKUPPL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320692;MM320692;CC(CCC(=O)C#N)=NO;DVOPWEWXSJADED-UHFFFAOYSA-N;140.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320693;MM320693;CCC1(C)C=CC(=CF)C1;GOZHMBFEPAXTJU-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320694;MM320694;C=CC(=C)CNC(C)=NC;FWFOVFZVWWYKDM-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320695;MM320695;CC=C1C=CC(C)(CN)C1;OUOJPWOIESBAJA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SN0";;;;;;;2.87;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320696;MM320696;C=CC(=C)CNC(C)=NN;AMZMPDHJFXITOH-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320697;MM320697;CC1(CN)C=CC(=CF)C1;UDRKELPXUUNWDU-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320698;MM320698;CC=CC1C=C(CO)CC1;ITWXWRJNHMHXNI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320699;MM320699;C=CC(=CC=CCC)CO;CEUCMTFZWUYBKB-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320700;MM320700;C#CC(CO)C1CC1C#N;YLVNWDQDOCWFAR-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320701;MM320701;C=CC(=CC=CCF)CO;AAEGOSCHZMRZTI-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320702;MM320702;CN=C(C)NCC(=O)C#N;OEWHRVLNZTZXDK-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320703;MM320703;CC1(CF)C=CC(=CF)C1;OBPSPGPFVXCDAH-UHFFFAOYSA-N;144.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320704;MM320704;C=CC(=C)COC(C)=CC;FVRSZWQFMFTVKX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320705;MM320705;CC=C1C=CC(N)(CC)C1;YLXLCADBCRXORR-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320706;MM320706;C=C(C#N)COC(C)=CF;QNHNMNAZSUXPOC-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320707;MM320707;CCC1(N)C=CC(=CF)C1;PUIQAJPFCPXXPX-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320708;MM320708;C=CC(=O)COC(C)=CC;WXJYSYXCDWMXMS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320709;MM320709;CC=C1C=CC(N)(CN)C1;XORZDJNVMPMSHK-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320710;MM320710;C=CC(=O)COC(C)=CF;GXXIBHHNFHTMRQ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320711;MM320711;NCC1(N)C=CC(=CF)C1;QKSJFUQTGUWNPQ-UHFFFAOYSA-N;142.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320712;MM320712;C=C(CO)C1CC1C=CC;VOZSOBZQNXSMBN-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320713;MM320713;CC=C1C=CC(N)(CO)C1;HFKUFXYUIMGDPJ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320714;MM320714;C=CC(=C)COC(C)=NO;ZYFNWOGRUDZHBM-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320715;MM320715;NC1(CO)C=CC(=CF)C1;BRKSHOJFMZHPAR-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320716;MM320716;NC1(CF)C=CC(=CF)C1;BFNFWUXVKAXNAB-UHFFFAOYSA-N;145.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320717;MM320717;C=CC(=N)NCC(C)=CC;LYBZUVHJHGVPJW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320718;MM320718;C=CC=CC=C(C=C)CO;PMLOHVBDRZXSRR-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320719;MM320719;C=CC(=N)NCC(F)=CC;WQDRFECSYQARTB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320720;MM320720;CCC1(O)C=CC(=CF)C1;KCGQKEQHTHODFR-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320721;MM320721;C=CC(=N)NCC(F)=CF;FEPHVHZMUKCHNJ-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320722;MM320722;CC=C1C=CC(O)(CN)C1;POAFAKUKABUZGO-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320723;MM320723;C=C(CO)C1CC1C=NN;ZYJDPGQNDRGUSE-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320724;MM320724;NCC1(O)C=CC(=CF)C1;MORDMTHHNDLXSX-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320725;MM320725;N#CC#CC1CC1CCO;QPESATGDGACZRF-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320726;MM320726;CC=C1C=CC(O)(CO)C1;WQGLTSAZGXUEPL-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320727;MM320727;CC(=CF)CNC(=O)C#N;PRBMQUZNDNOGGS-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320728;MM320728;OCC1(O)C=CC(=CF)C1;LPLCMKRFFOLMGX-UHFFFAOYSA-N;144.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320729;MM320729;CCCC#CC1C(C)C1O;MYIQUCZUXHPJJL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320730;MM320730;CC=C1C=CC(O)(CF)C1;KNTGRVFXSTVCRJ-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320731;MM320731;C=CC(=O)NCC(F)=CF;UWXBTLUMIQRPKW-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320732;MM320732;CC=C(F)CNC(=O)C=O;UDXVPXGWNLJWPM-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320733;MM320733;OC1(CF)C=CC(=CF)C1;MXLCAVDCZAVTMK-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320734;MM320734;CC=C(F)CNC(=O)C#N;UOHWYMXEBDFQSG-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320735;MM320735;CC=C1C=CC(F)(CC)C1;WLTNAKJLSIAUFZ-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320736;MM320736;N#CC(=O)NCC(F)=CF;FWWULEABZJKUPB-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320737;MM320737;CCC1(F)C=CC(=CF)C1;DRRXQFWPKBSTFG-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320738;MM320738;CC=C1C=CC(F)(CN)C1;ZTFKORUVGMRNQR-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320739;MM320739;C=CC(=N)NCC(C)=NO;URTCRVGPBGPJKP-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320740;MM320740;NCC1(F)C=CC(=CF)C1;IZXBUSHJTMXYBF-UHFFFAOYSA-N;145.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320741;MM320741;COCON=CNCC=O;WWAWBTHBSIRYKF-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320742;MM320742;CC=C1C=CC(F)(CO)C1;SDERUWUOIZGPAP-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320743;MM320743;CC(=NO)NNC(=N)C#N;VIHXRGSABGRKSD-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320744;MM320744;OCC1(F)C=CC(=CF)C1;VOIDWLMBNGUXSZ-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320745;MM320745;CN=C(C)NNC(=O)C=O;JOUWPNMZVCRVRA-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320746;MM320746;CC=C1C=CC(F)(CF)C1;DTUOANYMOAUPNO-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320747;MM320747;CC(=NO)NNC(=O)C#N;RZSOMRVJIUAWBE-UHFFFAOYSA-N;142.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320748;MM320748;CCC1(C)C=CC(=NN)C1;ZTELKWSPPRVOSM-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320749;MM320749;CC(=NO)ONC(=N)C#N;YJGGEYCFHCSBBE-UHFFFAOYSA-N;142.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320750;MM320750;C=CC(=CC=CC=O)CO;UPSAVOLYSPQDAH-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320751;MM320751;C=CC(=O)NOC(C)=NN;WLXDFESSADYVSO-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320752;MM320752;CC1(CN)C=CC(=NO)C1;KASZNEDDHFDGHJ-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320753;MM320753;C=CC(=C)OCC(C)=CC;CDOKCZYQIGYQFP-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320754;MM320754;C#CC=CC=C(C=C)CO;GKGCCAKRJHOADF-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320755;MM320755;C=C(C=O)OCC(C)=CC;OVLZNAYNZSKFGR-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320756;MM320756;CC1(CO)C=CC(=NO)C1;TWJHUBPYYBIWFU-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320757;MM320757;C=C(C#N)OCC(C)=CC;XQOOVEAQQJVYAD-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320758;MM320758;CC1(CF)C=CC(=NN)C1;HZFCEKDHUSIFLC-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320759;MM320759;C=CC(=C)OCC(F)=CC;BLULYIWRLSQPFW-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320760;MM320760;CC1(CF)C=CC(=NO)C1;APGWTBSXUYFOPT-UHFFFAOYSA-N;143.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320761;MM320761;C=C(C=O)OCC(F)=CC;WLLIPLZUIIPFGC-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320762;MM320762;CCC1(N)C=CC(=NO)C1;LHRLEDMDGIOJKZ-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320763;MM320763;C=CC(=O)OCC(C)=CC;NKJNKOKTSOPUGK-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320764;MM320764;NCC1(N)C=CC(=NO)C1;VYWCXIUXRADMPJ-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320765;MM320765;C=CC(=O)OCC(F)=CC;MFVFBHDZLJKVEC-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320766;MM320766;NC1(CO)C=CC(=NO)C1;RNPAAOZWVMAWNN-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320767;MM320767;CC=C(F)COC(=O)C#N;BNFHEJLJDZXMPV-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320768;MM320768;NC1(CF)C=CC(=NO)C1;ABXSUVUCDXVPGX-UHFFFAOYSA-N;144.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320769;MM320769;O=CC(=O)OCC(F)=CF;WTADIJUIHKVWGQ-UHFFFAOYSA-N;150.08;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320770;MM320770;C#CC(CC)=C(C)CCO;OLFWQWWBDTVHQW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320771;MM320771;N#CC(=O)OCC(F)=CF;JVQJZNOENLNDGP-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320772;MM320772;CCC1(O)C=CC(=NO)C1;LOLZZCWHWMEABE-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320773;MM320773;C=CC(=C)OCC(C)=NN;HZHKQGIMVHYKCX-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320774;MM320774;NCC1(O)C=CC(=NO)C1;QTFFECSACAUYOK-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320775;MM320775;C=CC(=C)OCC(C)=NO;BBDUDWQGFATGQK-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320776;MM320776;CCC(=CC1CC1O)CC;MODVRLHKBVBFLV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320777;MM320777;C=CC(=O)OCC(C)=NN;RIJQDBXIJDXYIP-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320778;MM320778;OCC1(O)C=CC(=NO)C1;HHUWDSUVAPSVMR-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320779;MM320779;C#CC(=C)CCC(C)=CC;XTRNOBMVXGEQIF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320780;MM320780;C=C1C(CO)=CC2CC12C;QCRCWVFVRCTGJM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320781;MM320781;C#CC(=C)CCC(C)=CF;QDCQBWXEFKSNBX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320782;MM320782;ON=C1C=CC(O)(CF)C1;LOHLGEYAWRCWMS-UHFFFAOYSA-N;145.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320783;MM320783;C#CC(=C)CCC(F)=CC;IKXZFIVEBQJQET-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320784;MM320784;CCC1(F)C=CC(=NN)C1;HTCDTPPZWZAWDX-UHFFFAOYSA-N;142.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320785;MM320785;C#CC(=C)CCC(F)=CF;JSNQFLPIZMFDNP-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320786;MM320786;CCC1(F)C=CC(=NO)C1;RNPBJVHMZFTKDE-UHFFFAOYSA-N;143.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320787;MM320787;C#CC(=O)CCC(C)=CC;CNLUWBWXMXMKFK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320788;MM320788;NCC1(F)C=CC(=NO)C1;DQUYFVYLDVEANG-UHFFFAOYSA-N;144.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320789;MM320789;C#CC(=O)CCC(F)=CC;XQEGYNGSSRXFEA-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320790;MM320790;C=NNC1=NC(=NC)N=C1;XWBSAIOXEZLKBM-UHFFFAOYSA-N;137.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320791;MM320791;C#CC(=O)CCC(F)=CF;QLLWSSNSWQSNEC-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320792;MM320792;OCC1(F)C=CC(=NO)C1;WUYGEDTZWSXDTK-UHFFFAOYSA-N;145.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320793;MM320793;C#CC(=C)CCC(C)=NN;JHESQPVZPGXBAP-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320794;MM320794;CC=C1C=CC(C)(NC)C1;SHGNUZNYRVWKOH-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320795;MM320795;C#CC(=C)CCC(C)=NO;CSNDBHMJXMNEKF-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320796;MM320796;CNC1(C)C=CC(=CF)C1;OATOJUDHNPFDNC-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320797;MM320797;C#CC(=C)CNC(C)=NC;ZBPHDRCYXQWAQN-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320798;MM320798;CNC1(C)C=CC(=NN)C1;SRDJADVAZBURAG-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320799;MM320799;C#CC(=C)CNC(C)=NN;WTVBXUKYRFMURO-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320800;MM320800;CNC1(C)C=CC(=NO)C1;SRTPADWQUIGEPV-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320801;MM320801;C=CCON=CNCC=O;UEYYOCJOTJZQJJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320802;MM320802;CC=C1C=CC(C)(OC)C1;FACNNUOPEJXXTR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320803;MM320803;COC=NN=CNCC=O;LIMPXVDLEGDXGC-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320804;MM320804;COC1(C)C=CC(=CF)C1;KFMXLWMNUZYGMB-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320805;MM320805;C#CC(=O)COC(C)=CC;SZFGIDLAHFNJKS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320806;MM320806;COC1(C)C=CC(=NN)C1;AWRCNXXJMLGJNI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320807;MM320807;C#CC(=O)COC(C)=CF;CXXLCKXVGOHGNS-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320808;MM320808;COC1(C)C=CC(=NO)C1;XHSXCKCVNPBVOX-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320809;MM320809;OCCC=CC=CCCO;CBWPPQBUOIDTKN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320810;MM320810;CCC1(C)C=CC(NC)=N1;YBRKWPPGIWMXGJ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320811;MM320811;C#CC(=C)COC(C)=NO;ZBOGRNKPIOGPNP-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320812;MM320812;CCC1(C)C=CC(NN)=N1;NVMIJHJVTGDHJO-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320813;MM320813;C#CC(=O)COC(C)=NO;QXAQRZYHPXBCOC-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320814;MM320814;CN=C1C=CC(C)(CN)N1;LISXUVCAMNLABC-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320815;MM320815;C#CC(=N)NCC(F)=CF;SVHLKMKTOFPWEI-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320816;MM320816;CN=C1C=CC(C)(CO)N1;CFNURYRGSPWTKC-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320817;MM320817;C#CC(=O)NCC(F)=CF;BDLZQNXYUZJNCN-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320818;MM320818;CN=C1C=CC(C)(CF)N1;WECPGTFGNXDUBC-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320819;MM320819;C#CC(=N)NCC(C)=NN;FKXHNOBOSUCNNX-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320820;MM320820;CC=C1C=CC(C)(CC)O1;NQOGHTOSCZWYQX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320821;MM320821;CCC1(C)C=CC(=CF)O1;BXNLWJCPWAWKJD-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320822;MM320822;C#CC(=N)NCC(C)=NO;HJSOWMJUCVEUSI-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320823;MM320823;CC=C1C=CC(C)(CN)O1;FOQRDDVFZHWHLK-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320824;MM320824;C#CC(=O)NCC(C)=NO;MOECDDYCCNPDIU-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320825;MM320825;CC1(CN)C=CC(=CF)O1;SKCXPBLUUIFEMD-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320826;MM320826;C#CC(=O)NNC(C)=NO;AKKOOCCHLHWDLP-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320827;MM320827;CC=C1C=CC(C)(CO)O1;CJTLRQIPHSZTHL-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320828;MM320828;C#CC(=O)NOC(C)=NN;JGWWTHBNYQVKBE-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320829;MM320829;CC=C1C=CC(C)(CF)O1;XYAZHZVBNLWFBK-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320830;MM320830;C#CC(=C)OCC(C)=CC;VGQZQTHJCIPTSG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320831;MM320831;C=CNC1=NC(C=O)CO1;FXAVIQDLXZYWEL-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320832;MM320832;C#CC(=C)OCC(F)=CC;ILGHGHGVBISYLW-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320833;MM320833;CCC1(C)C=CC(=NO)O1;UQUDWPKTEBWUMJ-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320834;MM320834;C#CC(=C)OCC(F)=CF;SWGGRUUHJGUANR-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320835;MM320835;CC1(CN)C=CC(=NO)O1;KHYANUPVBYNLTK-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320836;MM320836;C#CC(=O)OCC(C)=CC;IVLGPDUVQBNZEO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320837;MM320837;C#CC(C=O)C1NC1C=C;ZLZMOEJUSVVWAK-UHFFFAOYSA-N;135.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320838;MM320838;C#CC(=O)OCC(F)=CC;PDKKAFHQCQFKQP-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320839;MM320839;CC=C1C=CC(C)(OC)O1;AXMISMOWIQBJJK-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320840;MM320840;C#CC(=O)OCC(F)=CF;PAXAYEZVSUQESO-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320841;MM320841;C=CC1(C)C=CC(=CC)C1;ZJBDXFROWBOZBU-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320842;MM320842;C#CC(=C)OCC(C)=NN;PUJNCTFOSOQPQS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320843;MM320843;C=CC1(C)C=CC(=CF)C1;GPRUIGCISMNXPD-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320844;MM320844;CC=C(C)CCC(C)=CC;LTZABYZUYVJLDA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320845;MM320845;CC=C1C=CC(C)(C=O)C1;PGYPMWZAQGWIHG-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320846;MM320846;CC=C(C)CCC(F)=CC;GGBBRVCUVCBRQI-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320847;MM320847;CC=C1C=CC(C)(C#N)C1;RACRZQVLDNBAMN-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320848;MM320848;CC=C(C)CCC(F)=CF;PBUGPULKBDZTGM-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320849;MM320849;CC1(C=O)C=CC(=CF)C1;ZDSYNIGXARSBRJ-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320850;MM320850;CC=C(F)CCC(C)=CF;XXUHCCRNOCJNOZ-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320851;MM320851;CC1(C#N)C=CC(=CF)C1;YVSPRAAOUYRFTM-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320852;MM320852;CC=C(F)CCC(F)=CC;VVSLZUOKNMEDNY-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320853;MM320853;C=CC1(N)C=CC(=CC)C1;OEHHPXBLBRYEFV-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320854;MM320854;CC=C(F)CCC(F)=CF;ZDUILJXODILCHQ-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320855;MM320855;C=CC1(N)C=CC(=CF)C1;DAZPJHBNVIVPKH-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320856;MM320856;FC=C(F)CCC(F)=CF;DQJBYJFZCXPASO-UHFFFAOYSA-N;154.11;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320857;MM320857;CC#CC1NC1C(C)C=O;RLRNGNWMQGSBCW-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320858;MM320858;CC=C(C)CCC(C)=NN;KGKQZLGVQSQZTQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320859;MM320859;C=CC1(O)C=CC(=CF)C1;GZVQLABEKJFWMN-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320860;MM320860;C=COC=CC=CCCO;YYHPVTRSQJOOKK-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320861;MM320861;CC=C1C=CC(O)(C=O)C1;VZKLMNHXJNMJNU-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320862;MM320862;CC(=CF)CCC(C)=NN;VHGVAYAYMBXHAP-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320863;MM320863;CC=C1C=CC(O)(C#N)C1;VINWZLWQDHRSGQ-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320864;MM320864;CC(=CF)CCC(C)=NO;WFKWLPCYIIRKMT-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320865;MM320865;O=CC1(O)C=CC(=CF)C1;PGVWXNDOXGFFMU-UHFFFAOYSA-N;142.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320866;MM320866;CC=C(F)CCC(C)=NN;PDVSEUNULSTCQT-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320867;MM320867;N#CC1(O)C=CC(=CF)C1;JDRJAHZRBDDHAW-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320868;MM320868;CC=C(F)CCC(C)=NO;UBLYXHXVRJDGCE-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320869;MM320869;C=CC1(F)C=CC(=CC)C1;TVVHSIGFSRFFQH-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320870;MM320870;CC(CCC(F)=CF)=NN;ZOHXEZLOGVPGPQ-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320871;MM320871;C=CC1(F)C=CC(=CF)C1;MUHSKPLWSSUHNG-UHFFFAOYSA-N;142.15;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320872;MM320872;CC(CCC(F)=CF)=NO;HZQSHUIYYJODBY-UHFFFAOYSA-N;149.14;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320873;MM320873;CC=C1C=CC(F)(C=O)C1;ANCBMALCKOSKSI-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320874;MM320874;CC(CCC(C)=NN)=NN;LHUZKFMCFUDUDP-UHFFFAOYSA-N;142.21;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320875;MM320875;CC=C1C=CC(F)(C#N)C1;XMALSFABXFBLHO-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320876;MM320876;CC=CC=CC=CCCO;UOAGPDXRSGHHJA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320877;MM320877;O=CC1(F)C=CC(=CF)C1;QAUMFZCGVNZZAN-UHFFFAOYSA-N;144.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320878;MM320878;CC=C(C)CNC(C)=NC;CVRWNKIOYHRHKN-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320879;MM320879;N#CC1(F)C=CC(=CF)C1;CPCOWAOZXYNNPY-UHFFFAOYSA-N;141.12;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320880;MM320880;CC=C(C)CN=C(C)NO;DQHKUEULQOTUHH-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320881;MM320881;C=CC1(C)C=CC(=NN)C1;HLVYCHQBWQEIQP-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320882;MM320882;CC(=CF)CN=C(C)NO;RTOIEJSCPQXJEP-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320883;MM320883;C=CC1(C)C=CC(=NO)C1;NSHLOMDAAUQXAX-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320884;MM320884;CC=C(F)CN=C(C)NN;XWONSTRICZWEKQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320885;MM320885;CC1(C=O)C=CC(=NO)C1;KZBFKDWPUPNRJJ-UHFFFAOYSA-N;139.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320886;MM320886;C=C(C=CCCO)C1CC1;GRWDMOBTGXPMIA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320887;MM320887;CC1(C#N)C=CC(=NO)C1;AFBFFAHYUOVDMQ-UHFFFAOYSA-N;136.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320888;MM320888;CC=C(C)COC(C)=CC;QMUDFVODUQLEMY-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320889;MM320889;C=CC1(N)C=CC(=NO)C1;NSAGISQJGHEYEC-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320890;MM320890;CC=C(C)OCC(C)=CF;OCXDAXODFQLOTB-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320891;MM320891;CC=C1CC=C(CO)CC1;WYMOTGNVEZYGCU-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320892;MM320892;CC=C(C)COC(C)=NO;LVDOJLFEBBSZLW-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320893;MM320893;C=CC1(O)C=CC(=NO)C1;VINPCPADQOXTOP-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320894;MM320894;O=C(C=CCCO)C1CC1;GGFFCPVFAKRZCD-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320895;MM320895;O=CC1(O)C=CC(=NO)C1;HKYJLWQEXBOJDM-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320896;MM320896;CC=C(F)COC(C)=NO;SBIDJKUWLBUVOJ-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320897;MM320897;N#CC1(O)C=CC(=NO)C1;WESDPWJEBQNAPA-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320898;MM320898;C=CC1(F)C=CC(=NN)C1;JUVMXHYSIRSGKT-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320899;MM320899;C=C(C=CCCO)C1CO1;IYYXXSMOHUEAHF-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320900;MM320900;C=CC1(F)C=CC(=NO)C1;ODBLSYHFWWHMMC-UHFFFAOYSA-N;141.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320901;MM320901;CC(=NO)OCC(F)=CF;FWQYSWKPUMBERT-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320902;MM320902;O=CC1(F)C=CC(=NO)C1;KOWSZJQKPZITNE-UHFFFAOYSA-N;143.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320903;MM320903;CC(=CF)OCC(C)=NN;CEIRVCIJRSDVDM-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320904;MM320904;N#CC1(F)C=CC(=NO)C1;ZPRFSBVWRDQOGR-UHFFFAOYSA-N;140.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320905;MM320905;CC=C(C)OCC(C)=NO;MQKYAUQIIDBDCG-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320906;MM320906;C=CC1(C)C=CC(=NC)N1;PQSLQBVXQBBYDW-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320907;MM320907;CN=C(C)NOC(C)=NO;AVUOYGUXRIWUHE-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320908;MM320908;CN=C1C=CC(C)(C=O)N1;XXQILEDAIPKKQM-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320909;MM320909;N#CCC1CC(O)C1;DEAYGFQVUHWMCP-UHFFFAOYSA-N;111.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320910;MM320910;OCC1=CCC(=CF)CC1;GFSFAXGBOVYOCW-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320911;MM320911;CCC(C)C=CC(C)CC;RTTAWJNZBSQBLU-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320912;MM320912;NN=C1CC=C(CO)CC1;XDDXYCQCNJYAEO-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320913;MM320913;CCC(C)C=CC(C)CN;WEZJXUJNMDHLND-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320914;MM320914;C=CC1(C)C=CC(=CC)O1;SJQJGKLXLFJPSR-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320915;MM320915;N#CC1CC(CO)C1;GTCQMROOEJOBNO-UHFFFAOYSA-N;111.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320916;MM320916;C=CC1(C)C=CC(=CF)O1;XRCXMGKVWFGITI-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320917;MM320917;CC(C=CC(C)CO)CN;OYTHAUMMDUFGRX-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320918;MM320918;CC=C1C=CC(C)(C=O)O1;RXDGKZTVYJSXCI-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320919;MM320919;CC(C=CC(C)CF)CN;YIAVJNCCFITAJN-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320920;MM320920;CC=C1C=CC(C)(C#N)O1;PIJMMVDQSAFTRC-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320921;MM320921;CC(C=CC(C)CF)CF;PKPDFNJWIUJZBC-UHFFFAOYSA-N;148.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320922;MM320922;CC1(C=O)C=CC(=CF)O1;XJSNFDMYWQRQDG-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320923;MM320923;CCC(C)C=CC(N)CC;GRRKLUIBZYHUIT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320924;MM320924;CC1(C#N)C=CC(=CF)O1;QMJYYXXURIXYJE-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320925;MM320925;CCC(C)C=CC(N)CN;NHNHFYDAHXCCEJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320926;MM320926;C#CC(C=CC1CC1)CO;ZJASKOYZRWPOKY-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320927;MM320927;CCC(C)C=CC(N)CF;GEQSISUYDIXSLK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320928;MM320928;C=CC1(C)C=CC(=NO)O1;UEQXQKZMTGQSNS-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320929;MM320929;CCC(N)C=CC(C)CN;WCZNQSIVPURHJI-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320930;MM320930;CC1(C=O)C=CC(=NO)O1;KGWNMMVAQJDVIP-UHFFFAOYSA-N;141.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320931;MM320931;CC(C=CC(N)CN)CN;YMLVIPGJBBUDQS-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320932;MM320932;CC1(C#N)C=CC(=NO)O1;ZWLOKGLDSDXXIX-UHFFFAOYSA-N;138.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320933;MM320933;C#CC1(C)C=CC(=CC)C1;MTIZTLKBDJNVAH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320934;MM320934;CC(C=CC(N)CF)CN;ZDJSEDBNVYFBHB-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320935;MM320935;C#CC1(C)C=CC(=CF)C1;PRRGBDZZLNOHSC-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320936;MM320936;CCC(N)C=CC(C)CO;MNRARYXJGGCURG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320937;MM320937;C#CC1(N)C=CC(=CC)C1;HFTOKJCGDIIGBS-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320938;MM320938;CC(C=CC(N)CF)CO;KXJYMZLLUJUOFX-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320939;MM320939;C#CC1(N)C=CC(=CF)C1;IUURVMSDRHVFAJ-UHFFFAOYSA-N;137.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320940;MM320940;CCC(N)C=CC(C)CF;KPYJEPGQBGXUEB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320941;MM320941;C#CC1(O)C=CC(=CC)C1;JBQVJOUIRIZDSI-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320942;MM320942;CC(C=CC(N)CN)CF;UXBVZOSMHHWBCQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320943;MM320943;C#CC1(O)C=CC(=CF)C1;NSFZIXYFARKSIF-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320944;MM320944;CC(C=CC(N)CF)CF;PHEGXQVJZMCNJA-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320945;MM320945;C#CC1(F)C=CC(=CC)C1;ILEXNRFAGQHSQA-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320946;MM320946;CC#CC1C(C)C1O;IDCYZGSNJTUSHI-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320947;MM320947;C#CC1(F)C=CC(=CF)C1;FHMUARCVAXJDGD-UHFFFAOYSA-N;140.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320948;MM320948;CCC(C)C=CC(O)CN;KVIWZKPPHHPWFW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320949;MM320949;C#CC1(C)C=CC(=NN)C1;OREOMYZRDMYLMR-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320950;MM320950;CCC(C)C=CC(O)CO;DCGWBQIKYPLGTD-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320951;MM320951;C#CC1(C)C=CC(=NO)C1;LMQRRCGXAOFGDT-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320952;MM320952;CCC(C)C=CC(O)CF;FUMSPZPRJIACBL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320953;MM320953;C#CC1(N)C=CC(=NO)C1;YGQNZEXZHLLLCA-UHFFFAOYSA-N;136.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320954;MM320954;CCC(O)C=CC(C)CN;UEHQAZWQQSMOQR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320955;MM320955;C#CCC(C#C)CO;XDXZIZFPXQSLNM-UHFFFAOYSA-N;108.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320956;MM320956;CC(C=CC(O)CN)CN;HKDFGJUVOWWCRL-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320957;MM320957;C#CC1(O)C=CC(=NO)C1;YWRLWFRGVJFEKB-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320958;MM320958;CC(C=CC(O)CF)CN;UYANGKLUTWRPLR-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320959;MM320959;C#CC1(F)C=CC(=NN)C1;DNJUUHYMLBQKPK-UHFFFAOYSA-N;138.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320960;MM320960;CC=C(CO)CC(C)C;ODVFXCLAKRWIFA-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320961;MM320961;C#CC1(F)C=CC(=NO)C1;LUHZAJIPVWLGOK-UHFFFAOYSA-N;139.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320962;MM320962;CC(C=CC(O)CF)CF;LCVIDBIRYXYFER-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320963;MM320963;C#CC1(C)C=CC(=NC)N1;XXPPEDYFUJNZLF-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320964;MM320964;CCC(C)C=CC(F)CC;ARVSEVUCHAPDMJ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320965;MM320965;C=CCC(C)=CC(N)=O;BYRFXVQBVKFONH-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320966;MM320966;C#CC1(C)C=CC(=CC)O1;UJNWBRRFNPKWBG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320967;MM320967;CCC(C)C=CC(F)CO;WAEYXSSSRZCFKX-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320968;MM320968;C#CC1(C)C=CC(=CF)O1;IOAJLNAFQSQTJC-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320969;MM320969;CCC(C)C=CC(F)CF;KYERHUDZYQKJGZ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320970;MM320970;C=NN=C(C)CCC=O;DIGPOZGQHFJOIX-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320971;MM320971;CCC(F)C=CC(C)CN;PXJIFTQIPSEPIK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320972;MM320972;C#CC1(C)C=CC(=NO)O1;PWJCCFNGTVSOHK-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320973;MM320973;CC(C=CC(F)CN)CN;DLKRGHSNDBMOTJ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320974;MM320974;CCC1=CCC(C)(CC)C1;DLRQTDVLCVOUPY-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320975;MM320975;CC(C=CC(F)CF)CN;FWPRGIVYUYXWHT-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320976;MM320976;CCC1(C)CC=C(CN)C1;DJHXWCYVTTVGIX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320977;MM320977;CCC(N)C=CC(N)CC;LZBLRVGUXGAUJC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320978;MM320978;CCC1(C)CC=C(CO)C1;SGQKHPLMLAHEEI-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320979;MM320979;CCC(N)C=CC(N)CF;XLWANJSQQCEWCD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320980;MM320980;CCC1(C)CC=C(CF)C1;FAUYWYWBFBXSFO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320981;MM320981;NC(C=CC(N)CO)CO;PPIZCEIGVAOMRI-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320982;MM320982;CCC1=CCC(C)(CN)C1;DTZMBGDDHPDCKN-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320983;MM320983;CCC(N)C=CC(O)CC;JPRLOTMGOWMCOI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320984;MM320984;CC1(CN)CC=C(CN)C1;ZDZNJMGVPXIBGX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320985;MM320985;CCC(N)C=CC(O)CF;RZMSBTPHLUGETK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320986;MM320986;CC1(CN)CC=C(CO)C1;HNFYYTWINKXZIR-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320987;MM320987;NCC(N)C=CC(O)CN;YHGPKVGZKALEOL-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320988;MM320988;CC1(CN)CC=C(CF)C1;SFTOEZQTNAVSNB-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320989;MM320989;NC(C=CC(O)CO)CO;WXUBKYGDPDBBSY-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320990;MM320990;CC#CC(CO)CCC;GDFCJCUKCKKHFN-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320991;MM320991;NCC(O)C=CC(N)CF;APXHLNAPLNREQM-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320992;MM320992;CC1(CO)CC=C(CN)C1;YPYIYCDCKPJYFX-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320993;MM320993;CCC(F)C=CC(N)CN;PRHABLQTRGARRS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320994;MM320994;C#CC=C(CC)CCO;GNTAXXCSHRPRIX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320995;MM320995;NC(C=CC(F)CO)CO;DPXJWRBHDVHYPA-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320996;MM320996;CC1(CF)CC=C(CN)C1;DJUCTXSLYKVXOP-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320997;MM320997;NCC(F)C=CC(N)CF;RNSOOVAEFKAVGS-UHFFFAOYSA-N;150.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320998;MM320998;CC1(CF)CC=C(CO)C1;REHVGZKFYGPJMM-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM320999;MM320999;CCC(O)C=CC(O)CC;UKRCOLFEYJZGNV-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321000;MM321000;CC1(CF)CC=C(CF)C1;ZIZLPIGPRQYHKY-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321001;MM321001;CCC(O)C=CC(O)CN;INFQJLUTWQASJQ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321002;MM321002;CCC1=CCC(N)(CC)C1;OLKJADVWRLDCJE-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321003;MM321003;NCC(O)C=CC(O)CF;HWQAEZJCFCOZCH-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321004;MM321004;CCC1(N)CC=C(CN)C1;VACWOAVFRJXRRM-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321005;MM321005;OCC(O)C=CC(O)CO;LFUPTFHBGBCXDZ-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321006;MM321006;CCC1(N)CC=C(CO)C1;YJGHIBIWBWUTLU-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321007;MM321007;CCC(O)C=CC(F)CO;MNCVAMIUDOHHGR-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321008;MM321008;CCC1(N)CC=C(CF)C1;PURGHBKCVWRFJK-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321009;MM321009;CCC(F)C=CC(O)CN;WGYNIPCRNWHRTM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321010;MM321010;CCC1=CCC(N)(CN)C1;SEZNRYWAWUPONN-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321011;MM321011;OCC(O)C=CC(F)CF;AXWZEOSHLOEUJP-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321012;MM321012;NCC1=CCC(N)(CN)C1;JQGZZMSUMIWBCM-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321013;MM321013;OCC(F)C=CC(F)CO;KCCACCHJFJNUMG-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321014;MM321014;NCC1(N)CC=C(CO)C1;XDPRKWXWVZBOLS-UHFFFAOYSA-N;142.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321015;MM321015;NCC1(N)CC=C(CF)C1;GMRMWRACSBCDMU-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321016;MM321016;OCC(F)C=CC(F)CF;PUPAZTKORMCYCM-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321017;MM321017;CCC1=CCC(N)(CO)C1;PQPVYBALZQBEIO-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321018;MM321018;CCC(C)C=CC(C)NC;ZTMRRJMEBVHNSB-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321019;MM321019;NCC1=CCC(N)(CO)C1;VZYXMJLIJZGRMZ-UHFFFAOYSA-N;142.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321020;MM321020;CNC(C)C=CC(C)CO;AMPHLLPXUNQTDD-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321021;MM321021;NC1(CO)CC=C(CO)C1;AZUXLVFKCADZJR-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321022;MM321022;CNC(C)C=CC(C)CF;GUHKRWPSHIAUGN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321023;MM321023;NC1(CO)CC=C(CF)C1;SFRXATBTUVERRG-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321024;MM321024;CCC(N)C=CC(C)NC;KNHABPWNWWPATP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321025;MM321025;CCC1=CCC(N)(CF)C1;JOQIZIHWUWFQTH-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321026;MM321026;CNC(C)C=CC(N)CN;KGIXUUAFKXWLRQ-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321027;MM321027;NCC1=CCC(N)(CF)C1;XOFXMSOUPJEAOD-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321028;MM321028;CNC(C)C=CC(N)CO;PTSZPAWZXSIDLW-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321029;MM321029;N=C1N=C(C=O)NC1=N;KCCDELOPCRQYTI-UHFFFAOYSA-N;124.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321030;MM321030;CNC(C)C=CC(N)CF;YODAJYQHAFPJQT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321031;MM321031;CCC1(O)CC=C(CN)C1;WHADRHXTNYQQSW-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321032;MM321032;CCC(O)C=CC(C)NC;NDNQGRGVEKVIPH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321033;MM321033;CCC1(O)CC=C(CO)C1;OSDDOAPHOHNVMP-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321034;MM321034;CNC(C)C=CC(F)CN;KHHICMJQBHDRND-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321035;MM321035;CCC1(O)CC=C(CF)C1;IZGOKMMHLMYFDI-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321036;MM321036;CCC(C)C=CC(C)OC;QGIRGFLYQCUUIO-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321037;MM321037;CCC1=CCC(O)(CN)C1;OQKNPPSRWRFPIZ-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321038;MM321038;COC(C)C=CC(C)CN;YQFZVUYPIRNREA-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321039;MM321039;NCC1=CCC(O)(CN)C1;IFJDUNRVGAWBIY-UHFFFAOYSA-N;142.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321040;MM321040;CCC(N)C=CC(C)OC;BRRMBGIBXKUAOP-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321041;MM321041;NCC1(O)CC=C(CO)C1;BDJUFWZLOCYDEZ-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321042;MM321042;COC(C)C=CC(C)OC;CTUWNIMPJLFFFH-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321043;MM321043;CCC1=CCC(O)(CO)C1;YVJXEGPBGNRGPU-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321044;MM321044;CCC(C)C=NN(C)CC;RKANHVLGYWWRKC-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321045;MM321045;NCC1=CCC(O)(CO)C1;PXNBLHQZSFHPFQ-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321046;MM321046;CCN(C)N=CC(C)CN;RGMBOLKDVKHFKP-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321047;MM321047;OCC1=CCC(O)(CO)C1;IXZWDSJDPYIELF-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321048;MM321048;CCN(C)N=CC(O)CN;BMSWTLALTQABFE-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321049;MM321049;CCC1=CCC(O)(CF)C1;FQJWKZDBBBACHQ-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321050;MM321050;CCC(F)C=NN(C)CC;XUGUMTIKDDOJMT-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321051;MM321051;OCC1=CCC(O)(CF)C1;HVUCKLAUEJTFKL-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321052;MM321052;CCC(C)N=CN(C)CC;DZMRMSUIKWGZRF-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321053;MM321053;CCC1=CCC(F)(CC)C1;DWQJXPYQPAQHNO-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321054;MM321054;CCC(C)N=CN(C)NC;XFEDYUWLFHYRPJ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321055;MM321055;CCC1(F)CC=C(CN)C1;DSUPXCWBSGSTCD-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321056;MM321056;C=CC(C)C=CC(C)CC;RLJAJLOMUFBSRN-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321057;MM321057;CCC1(F)CC=C(CO)C1;QNQKFXKIZHFJFZ-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321058;MM321058;CCC(C)C=CC(C)C=O;LEADOJGALVJJFQ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321059;MM321059;CCC1(F)CC=C(CF)C1;IILWEMMFWBFOAV-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321060;MM321060;CCC(C)C=CC(C)C#N;XJJRAWMZLQYUCZ-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321061;MM321061;CCC1=CCC(F)(CN)C1;KQNWZEAXRBOFDM-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321062;MM321062;C=CC(C)C=CC(C)CN;SCFOVGWQXAYLAP-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321063;MM321063;NCC1=CCC(F)(CN)C1;AFLRDOJSYPZSHO-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321064;MM321064;CCC(=CC(C)C)CO;IUMVLRLSOISMPM-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321065;MM321065;NCC1(F)CC=C(CO)C1;NQQHNVBAIAPSHW-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321066;MM321066;C=CC(=CC(=C)C)CO;HBVNWEMXIIEEPM-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321067;MM321067;NCC1(F)CC=C(CF)C1;OCIDAWMYZRQNFV-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321068;MM321068;C=CC(C)C=CC(C)CF;KRUNISFQSCZJDT-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321069;MM321069;CCC1=CCC(F)(CO)C1;UWTZEOBZPBVRAH-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321070;MM321070;CC(C=O)C=CC(C)CF;JZDNSHZUJIKKTL-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321071;MM321071;NCC1=CCC(F)(CO)C1;HQYJXLSPASXLMH-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321072;MM321072;OCC1=CCC(F)(CO)C1;CAADRERUHHGETM-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321073;MM321073;C=CC(N)C=CC(C)CC;OQEPOUCQCNTXNV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321074;MM321074;OCC1(F)CC=C(CF)C1;KIAQXVGGFGBQAH-UHFFFAOYSA-N;148.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321075;MM321075;C=CC(N)C=CC(C)CF;BSMJSXLNQRLWAI-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321076;MM321076;CCC1(C)CC=C(OC)C1;YGWTUGCHQCEVNA-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321077;MM321077;C=CC(O)C=CC(C)CC;QLCSMEADMPGKEV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321078;MM321078;COC1=CCC(C)(CN)C1;SVFRHPLTKYKYIM-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321079;MM321079;CCC(C)C=CC(O)C#N;UISYPIXILMZHIX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321080;MM321080;COC1=CCC(C)(CO)C1;ODQUUKKTPOQQLC-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321081;MM321081;CC(C=CC(O)C=O)CO;VBTUYNKGGKRKSG-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321082;MM321082;COC1=CCC(C)(CF)C1;RTIAXKBRJIRMBW-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321083;MM321083;CC(C=CC(O)C#N)CO;JJPZZEUVCMIEEZ-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321084;MM321084;CCC1(N)CC=C(OC)C1;YHNLJAOIWULDLH-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321085;MM321085;C=CC(O)C=CC(C)CF;VYROMEZHHZILQE-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321086;MM321086;COC1=CCC(N)(CN)C1;QKBZSHNFTCDMBC-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321087;MM321087;C=C(CO)C(C)C(C)C;RZNZELOILRSGOU-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321088;MM321088;COC1=CCC(N)(CO)C1;AUFIPQBXKKLJNI-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321089;MM321089;C=C(C)C(=C)C(=C)CO;KFANQMHGVKKDCE-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321090;MM321090;CCC1(O)CC=C(OC)C1;HVEPWURZMDRLJF-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321091;MM321091;C=CC(F)C=CC(C)CF;ZUNPTAZAYRULGP-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321092;MM321092;COC1=CCC(O)(CN)C1;JTFNTEBWJCKZKP-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321093;MM321093;CC(C=CC(F)C=O)CF;RJUVRLZDFUZXKJ-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321094;MM321094;COC1=CCC(O)(CO)C1;MUKAQAYGHULCNP-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321095;MM321095;CC(C=CC(F)C#N)CF;SSEKUCCMIDPFLD-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321096;MM321096;COC1=CCC(O)(CF)C1;IPFLIEUMPTWOPO-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321097;MM321097;C=CC(C)C=CC(N)CC;IQRFTWOJPIVSBH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321098;MM321098;CCC1(F)CC=C(OC)C1;DBJIAOVHHKZVKB-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321099;MM321099;C=CC(C)C=CC(N)CO;MURJYZUDEDJXMA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321100;MM321100;COC1=CCC(F)(CN)C1;BXFRVJGVTGIBJG-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321101;MM321101;C=CC(C)C=CC(N)CF;KNHVXDXNPIZXCC-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321102;MM321102;CCC1=CCC(C)(NC)C1;DMSMHQMYJMHNOC-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SN0";;;;;;;3.13;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321103;MM321103;C=CC(N)C=CC(N)CN;NTAKGLOSCSFKIB-UHFFFAOYSA-N;141.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321104;MM321104;CNC1(C)CC=C(CN)C1;SQQKULFCCXYMOM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321105;MM321105;C=CC(O)C=CC(N)CC;FNCJFWQQJQVDFW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321106;MM321106;CNC1(C)CC=C(CO)C1;WBYKYCDXROHLTN-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321107;MM321107;C=CC(F)C=CC(N)CC;BSMPCQSZZANHFZ-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321108;MM321108;CNC1(C)CC=C(CF)C1;OEMYPABNVZJNMD-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321109;MM321109;C=CCCC(=C)C(N)=O;KQDPSGMCNVQSFQ-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321110;MM321110;CNC1(C)CC=C(OC)C1;LQYOMYRSDZVCQV-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321111;MM321111;C=CCC=C(C)C(N)=O;WRKKTEQJYVDRCZ-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321112;MM321112;CCC1=CCC(C)(OC)C1;WNYRADFLSYPHIG-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321113;MM321113;C=C(CC#N)C1CC1O;IWDXLUZZQVEUGB-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321114;MM321114;COC1(C)CC=C(CN)C1;KDHPBJZXRJICCY-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321115;MM321115;C=CC(C)C=CC(O)CN;NCBUPVKLCPRLHA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321116;MM321116;COC1(C)CC=C(CO)C1;KOTTWGMTKCUCER-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321117;MM321117;C=CC(C)C=CC(O)CO;ZJCPUJSPYABZLN-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321118;MM321118;COC1(C)CC=C(CF)C1;RCOYKYGSJWUACY-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321119;MM321119;C=CC(C)C=CC(O)CF;SCBZFUSHGGFMDF-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321120;MM321120;COC1=CCC(C)(OC)C1;DCCBOTAXKIJVRK-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321121;MM321121;C=CC(N)C=CC(O)CC;RUDHNDZKTBHAJB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321122;MM321122;CCC1=NNC(C)(CC)C1;SBYYIROHHZRLBX-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321123;MM321123;C=CC(N)C=CC(O)CF;MPBLPMILJFDQFU-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321124;MM321124;CC1C(=NN)N=CN1C;LMDWVUDIBFFSKZ-UHFFFAOYSA-N;126.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321125;MM321125;C=CC(O)C=CC(O)CC;AYDVXACGDLPLDN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321126;MM321126;CCC1(C)CC(CF)=NN1;LWTMAONUXQYPSU-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321127;MM321127;CCC(O)C=CC(O)C=O;FVJZQUJNFFNXFN-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321128;MM321128;CCC1=NNC(C)(CN)C1;DFBCMXBOOPCRTL-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321129;MM321129;C=CC(O)C=CC(O)CN;OFQMXTZJBCHWLF-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321130;MM321130;CC1(CN)CC(CN)=NN1;LSPHXYMBUAODGS-UHFFFAOYSA-N;142.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321131;MM321131;CC1(CN)CC(CO)=NN1;NASFNYLTLWNPFB-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321132;MM321132;N#CC(O)C=CC(O)CO;MQZHAWGVYPUCJA-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321133;MM321133;CC1(CN)CC(CF)=NN1;ULMWIXMTWZYYGV-UHFFFAOYSA-N;145.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321134;MM321134;N#CC(O)C=CC(O)CF;WFCUVELTLXYRSV-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321135;MM321135;CC#CC=CC1CC1O;INQXPVQHCZUFLB-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321136;MM321136;O=CC(F)C=CC(O)CF;RUNHOPIWVGWZAC-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321137;MM321137;CCC1=NNC(C)(CF)C1;SGKDUCWNTPMTAD-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321138;MM321138;C=CC(C)C=CC(F)CN;MENAYMURXKHEDD-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321139;MM321139;CN=C1NC(C=O)CO1;UTIKBHCABKSBOB-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321140;MM321140;C=CC(C)C=CC(F)CO;GNOJXCWSTQZINR-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321141;MM321141;CC=NOCCCC=O;SLLTVMSRHQHYRY-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321142;MM321142;CC(C#N)C=CC(F)CO;CDRDRFCIHPAZMJ-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321143;MM321143;O=CCCC=NOC=O;RDELDAAOWXZXFQ-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321144;MM321144;C=CC(C)C=CC(F)CF;OXCZIBWTLOSNTA-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321145;MM321145;COC1=NNC(C)(CN)C1;YXYMCRHIJBMABD-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321146;MM321146;CC(C#N)C=CC(F)CF;BVUGWWMBNWYTFI-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321147;MM321147;CCC1=COC(C)(CC)C1;MPWPUYHQABELSR-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321148;MM321148;C=CC(O)C=CC(F)CN;GTDAGYVEAQGCKI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321149;MM321149;CCC1(C)CC(CN)=CO1;GRUCBNNKEBCEDI-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321150;MM321150;O=CC(O)C=CC(F)CF;HKNAPHXLDIPUCM-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321151;MM321151;CCC1(C)CC(CO)=CO1;IEWFWUKIKFYVPB-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321152;MM321152;C=CC(C)C=CC(C)NC;RIBIDXGEJNJJRQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321153;MM321153;CCC1(C)CC(CF)=CO1;XOXNZCCKDSWTRC-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321154;MM321154;CNC(C)C=CC(C)C=O;BQTQPEIHGJQBSZ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321155;MM321155;CCC1=COC(C)(CN)C1;YCAOIDRMQPCQAQ-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321156;MM321156;CNC(C)C=CC(F)C#N;XPUYHSBJUHTBGA-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321157;MM321157;CC1(CN)CC(CN)=CO1;DSNFDGRZIBTYHY-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321158;MM321158;COC(C)C=CC(C)C#N;JCCYFWHTXNVNDW-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321159;MM321159;CC1(CN)CC(CO)=CO1;YAODEPPFDCAYQO-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321160;MM321160;C=CC(N)C=CC(C)OC;HPOGIEHAZRFIPA-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321161;MM321161;CC1(CN)CC(CF)=CO1;OPPCGURYFXKUGS-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321162;MM321162;C=CC(O)C=CC(C)OC;JBWMUGVMEBLWJL-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321163;MM321163;CCC1=COC(C)(CO)C1;VSJJFASVQWEMEU-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321164;MM321164;COC(C)C=CC(O)C=O;RMHMDVUHGRYFEL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321165;MM321165;CC1(CO)CC(CN)=CO1;QOJAXINHFXWFPW-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321166;MM321166;CCC(C)C=CN(C)C=N;IIYNGLMPPJWOHH-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321167;MM321167;CC1(CF)CC(CF)=CO1;RNQNMNMBGGGSTB-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321168;MM321168;CCC(C)C=CN(C)C=O;TWAULQBZFVTERG-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321169;MM321169;CCC1(C)CC(OC)=CO1;NLEUYJKCXSXRJS-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321170;MM321170;CC(C=CN(C)C=N)CN;NIXUKKHQUBMUQE-UHFFFAOYSA-N;141.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321171;MM321171;COC1=COC(C)(CN)C1;YEXWNSUUEIDGNR-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321172;MM321172;CC(C=CN(C)C=O)CN;WJFBOAZUFMGAPG-UHFFFAOYSA-N;142.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321173;MM321173;COC1=COC(C)(CO)C1;ZKDVWTPQHSWVIH-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321174;MM321174;CCC(C)C=CN(N)C=N;MBSGMFLIRJBHJX-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321175;MM321175;CCC1=COC(C)(OC)C1;AHLPENJNIRAVQW-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321176;MM321176;CCC(C)C=CN(N)C=O;QWUIJSTYIOBTAC-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321177;MM321177;COC1(C)CC(CF)=CO1;SXRDPWOWSIVYOS-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321178;MM321178;CC(C=CN(N)C=N)CF;XJSMJYKHRPNRKT-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321179;MM321179;CCC1=NOC(C)(CC)C1;XMYJXWKGSDPCFO-UHFFFAOYSA-N;141.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321180;MM321180;CCC(C)C=CN(O)C=N;XBHFRPIWZGCAKS-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321181;MM321181;CCC1(C)CC(CN)=NO1;USPMJNBIPZWQHS-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321182;MM321182;CCC(C)C=CN(O)C=O;ACBAHQWPYMBFSV-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321183;MM321183;CON=CC1OC1C=O;RILVFSHDXZXUCW-UHFFFAOYSA-N;129.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321184;MM321184;CC(C=CN(O)C=N)CO;UXYIEZQHRDHJCE-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321185;MM321185;CCC1(C)CC(CF)=NO1;KTPPSZGDYZASCL-UHFFFAOYSA-N;145.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321186;MM321186;CCC1=NOC(C)(CN)C1;IMCTYIYROMTSJM-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321187;MM321187;CC(C=CN(O)C=O)CF;HJEPVLUAKDQRKE-UHFFFAOYSA-N;147.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321188;MM321188;CC1(CN)CC(CN)=NO1;KPZUQBYAEVFVOH-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321189;MM321189;CCC(N)C=CN(C)C=N;OTRNXAGLXWMQRH-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321190;MM321190;CC1(CN)CC(CO)=NO1;LNEMTTFQGDXWFZ-UHFFFAOYSA-N;144.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321191;MM321191;CN(C=N)C=CC(N)CN;TZVXMFGYZGLAAS-UHFFFAOYSA-N;142.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321192;MM321192;CC1(CN)CC(CF)=NO1;GYLNLWRWFCIHNF-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321193;MM321193;CN(C=O)C=CC(N)CN;NORVPSOAFAZPMU-UHFFFAOYSA-N;143.19;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321194;MM321194;CCC1=NOC(C)(CF)C1;GKFXXYPGATXKFB-UHFFFAOYSA-N;145.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321195;MM321195;CN(C=N)C=CC(N)CO;PFSBLTZHBJJVGK-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321196;MM321196;C=NOC(C=O)CC(=C)F;VMCOYMLTQCZUSH-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321197;MM321197;CN(C=O)C=CC(N)CO;MRCLCXJUEYNHCK-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321198;MM321198;CCC1(C)CC(=NO)NO1;SVFQHYBMVOTADV-UHFFFAOYSA-N;144.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321199;MM321199;CN(C=N)C=CC(N)CF;NIHWKDADKMYSOI-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321200;MM321200;CCC1(C)CC(OC)=NO1;YPEZYSMXFQHMBY-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321201;MM321201;CCC(N)C=CN(O)C=N;XNEXOXBIPYYVAR-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321202;MM321202;CCC1=NC(C)(CC)CN1;PMOWIUGVUVCVAM-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321203;MM321203;N=CN(O)C=CC(N)CO;XROQEPYJYZTUFF-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321204;MM321204;CCC1(C)CN=C(CN)N1;WKCOSOAWFCPJCA-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321205;MM321205;CCC(O)C=CN(N)C=N;GBTSUHAUDIPTCW-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321206;MM321206;CCC1(C)CN=C(CO)N1;GICGPOYNKNBDPG-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321207;MM321207;CCC(O)C=CN(O)C=O;FAMYJYXYHTUFLE-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321208;MM321208;CCC1(C)CN=C(CF)N1;DOTJESYRBPPKBR-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321209;MM321209;NCC(O)C=CN(O)C=O;IMEJFGYBOBJJCF-UHFFFAOYSA-N;146.15;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321210;MM321210;CCC1=NC(C)(CN)CN1;BGKOBQBXIVJBNM-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321211;MM321211;N=CN(O)C=CC(O)CO;PNUMXPKLVXWRRR-UHFFFAOYSA-N;146.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321212;MM321212;CC1(CN)CN=C(CN)N1;APKYSMWLNWQOHG-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321213;MM321213;O=CN(O)C=CC(O)CO;BZATVAYRQJBDLS-UHFFFAOYSA-N;147.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321214;MM321214;CC1(CN)CN=C(CO)N1;RPRSFPPBXSHDOZ-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321215;MM321215;CCC(F)C=CN(C)C=O;AMMBTLANXFSNHA-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321216;MM321216;CCC1=NC(C)(CF)CN1;FWNPWMZTVOOHMO-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321217;MM321217;CCC(F)C=CN(N)C=N;MOFONYUMTVVSJW-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321218;MM321218;CC1(CF)CN=C(CN)N1;BLOIMOZRALBNFC-UHFFFAOYSA-N;145.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321219;MM321219;CCC(F)C=CN(N)C=O;NZSNJYIBOOUGOI-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321220;MM321220;CCC1(C)CN=C(NC)N1;XSUORMWNOLDPQI-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321221;MM321221;O=CCCC1(C=O)CN1;ALDVMZIHHLAGPV-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321222;MM321222;CCC1(C)CN=C(NN)N1;JDNPDZUAYHWLEA-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321223;MM321223;CCC(F)C=CN(O)C=O;BEYPSHCWPSMERF-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321224;MM321224;CCC1(C)CN=C(NO)N1;XYACCCHOQOOJRH-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321225;MM321225;N=CN(O)C=CC(F)CN;PZMIWNQSPRWKCU-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321226;MM321226;CNC1=NCC(C)(CN)N1;HMAXHALCMLYFSJ-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321227;MM321227;CC1(CN)CN=C(NO)N1;DDKNGTHPRNNKSZ-UHFFFAOYSA-N;144.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321228;MM321228;O=CN(O)C=CC(F)CF;BIGAVDZARNBUPI-UHFFFAOYSA-N;151.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321229;MM321229;CNC1=NCC(C)(CO)N1;AWRBOUIEGHRSAT-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321230;MM321230;CNC(C)C=CN(N)C=N;AIKJCNPASNUFCO-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321231;MM321231;CC1(CO)CN=C(NN)N1;QLLMGRYVONXOMZ-UHFFFAOYSA-N;144.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321232;MM321232;COC(C)C=CN(C)C=N;LDRBSPZOXVYYCI-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321233;MM321233;CNC1=NCC(C)(CF)N1;IAZJBFBLTHXQHF-UHFFFAOYSA-N;145.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321234;MM321234;COC(C)C=CN(N)C=O;PYJUEOULVUXCAB-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321235;MM321235;C#CC=C(CCO)CCO;XJRLBIYBMMHNAZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321236;MM321236;CCC(C)C=NN(C)C=N;QFZJQYLMBJOOML-UHFFFAOYSA-N;141.22;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321237;MM321237;CCC1=CCC(C)(CC)O1;CKEWQHKVSWGGFB-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321238;MM321238;CCC(C)C=NN(C)C=O;XZRIYDBKNPMRBS-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321239;MM321239;CCC1(C)CC=C(CN)O1;YOJXVLWAXJPMCU-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321240;MM321240;CC=C(CO)CC1CC1;GRJZQCZAGRBZOE-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321241;MM321241;CCC1(C)CC=C(CO)O1;ZNLJOEMRFMPLAL-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321242;MM321242;CN(C=N)N=CC(N)CN;AIONREGMNOHBPX-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321243;MM321243;CCC1(C)CC=C(CF)O1;HPUYVQXELYYBKN-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321244;MM321244;CCC(=CC1CC1)CO;BPHGYAMUIGLQSE-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321245;MM321245;CCC1=CCC(C)(CN)O1;FZSKEZGQTMOMQP-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321246;MM321246;CN(C=N)N=CC(O)CN;GXHAQRGWKKYHOA-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321247;MM321247;CC1(CN)CC=C(CO)O1;BYLLVSBGMGLBLY-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321248;MM321248;CN(C=O)N=CC(O)CN;NTZAOINUSMTQCB-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321249;MM321249;CC1(CN)CC=C(CF)O1;WUIBISJCPZVUPG-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321250;MM321250;C=C(CO)C(C)C1CC1;SFVQDAOACGJUGG-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321251;MM321251;CCC1=CCC(C)(CO)O1;VHQMNAIGEHZECG-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321252;MM321252;CN(C=O)N=CC(O)CO;MHEWRAMCQCHYRL-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321253;MM321253;CC1(CF)CC=C(CN)O1;GZOKUBFHVMNQQH-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321254;MM321254;CN(C=O)N=CC(O)CF;OQCMIEHWIVXUGK-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321255;MM321255;CC1(CF)CC=C(CO)O1;CLHMCQITVNWDFP-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321256;MM321256;CN(C=O)N=CC(F)CO;XSVSTFYWARUCKM-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321257;MM321257;CC1(CF)CC=C(CF)O1;HRSNLSPXFWBBDJ-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321258;MM321258;CNC(C)C=NN(C)C=O;YEAOMBCUOBFVSB-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321259;MM321259;CCC1=CCC(C)(OC)O1;BKLISGYEVMCCDX-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321260;MM321260;C=CN(C)C=NC(C)CC;DZETUHXJDLUDRZ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321261;MM321261;COC1(C)CC=C(CN)O1;RSEUFOJQGLOADM-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321262;MM321262;CCC(C)N=CN(C)C=N;XOFOVEITIPYZRY-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321263;MM321263;COC1(C)CC=C(CO)O1;XKGQRYKOIOMCAW-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321264;MM321264;C=C(CO)C(C)C(C)(C)C;XOSKEUPHKZTPRA-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321265;MM321265;COC1(C)CC=C(CF)O1;GNVUMQZANUZHCB-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321266;MM321266;C=CC(C)N=CN(C)CC;KPXRXFNRXYRXTG-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321267;MM321267;C=NN=C(C=NN)NN=C;OYDLXSFAGWHBCO-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321268;MM321268;CCN(C)C=NC(C)C=O;HHSWPBLJBQWXIN-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321269;MM321269;CNC1=NCC(C)(CN)O1;BSQHZJYGMPIABM-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321270;MM321270;CCN(C)C=NC(C)C#N;ZMTXUXVGDKESFT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321271;MM321271;CC1(CN)CN=C(NO)O1;UMQYUXACYYPZPA-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321272;MM321272;CCN(C)N=CC(C)C#N;ALJCIOIXFOFWQX-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321273;MM321273;C=C(C)C(CCC)C(N)=O;CEOPIGWXNAFOKX-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321274;MM321274;CC=CC(C(N)=O)C(C)C;DVYRLHUIZHBWGU-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321275;MM321275;CON(C)C=NN(C)C=N;LIUBFSKGWITWTK-UHFFFAOYSA-N;144.18;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321276;MM321276;CCC1=COC(C)(CC)O1;JSRYDJOTMBUFDG-UHFFFAOYSA-N;142.2;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321277;MM321277;CON(C)C=NN(C)C=O;XONSOPOATIZFGE-UHFFFAOYSA-N;145.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321278;MM321278;CCC1(C)OC=C(CN)O1;QGXSFENFBDFOLR-UHFFFAOYSA-N;143.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321279;MM321279;CC(CO)=C(C)C(C)(C)C;PZECNUBVCQHLNJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321280;MM321280;CCC1(C)OC=C(CO)O1;PXXZBCPJHGYSHH-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321281;MM321281;C#CC(C)C=CC(C)CC;WJMJBTDFFUWASX-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321282;MM321282;CCC1(C)OC=C(CF)O1;SOBPGVAVYAJDLO-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321283;MM321283;C#CC(C)C=CC(C)CN;BLZMRBJYFCHSJD-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321284;MM321284;CCC1=COC(C)(CN)O1;GGPSOFFWICLKFN-UHFFFAOYSA-N;143.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321285;MM321285;CC=C(CO)CC(C)(C)C;PEXYVDTWQSTFMK-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321286;MM321286;CC1(CN)OC=C(CF)O1;VNODEWMLZLZWMO-UHFFFAOYSA-N;147.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321287;MM321287;C#CC(N)C=CC(C)CC;OVXDBCCDMCUKPH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321288;MM321288;CCC1=NOC(C)(CC)O1;GLTKACJOVLRAFX-UHFFFAOYSA-N;143.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321289;MM321289;C#CC(O)C=CC(C)CF;BTSDQUIDRQREAO-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321290;MM321290;CCC1(C)ON=C(CO)O1;HMFYHSVMTYLEDA-UHFFFAOYSA-N;145.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321291;MM321291;C#CC(C)C=CC(N)CC;ZJROIAASQCRHMW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321292;MM321292;CCC1(C)ON=C(CF)O1;XHROTOUVGUDQMD-UHFFFAOYSA-N;147.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321293;MM321293;C#CC(C)C=CC(N)CN;HMUKCSXVTZMMMW-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321294;MM321294;CC1(CN)ON=C(CN)O1;SHZURODEEAHLRG-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321295;MM321295;C#CC(C)C=CC(N)CF;UPRPYYPEEPNREF-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321296;MM321296;CCC1(C)ON=C(NC)O1;APUSVEBJVGPNNT-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321297;MM321297;C#CC(N)C=CC(N)CN;QCZZVRVJURLHDZ-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321298;MM321298;C=C(C)C(C(N)=O)C(C)C;RPPOMWRRGUCKSL-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321299;MM321299;C#CC(N)C=CC(N)CO;PWSKEKZPQVVQBO-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321300;MM321300;C=CC(C#N)(NC)C(C)=O;IIWLNJOPYCAFDL-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321301;MM321301;C#CC(N)C=CC(N)CF;DQQMENASPBUSHM-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321302;MM321302;C=CC1(C)NC1C(=O)C#N;XYWBMAPUPXJYAS-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321303;MM321303;CCC(=CC(C)(C)C)CO;RUEHGTZCVHZEMQ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321304;MM321304;C=CC1=CCC(C)(CC)C1;UHYVLBXIENIQOR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321305;MM321305;C#CC(C)C=CC(O)CF;RRXBHELSJGZYEA-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321306;MM321306;CCC1(C)CC=C(C=O)C1;PGJDQPRYBWADKS-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321307;MM321307;C#CC(N)C=CC(O)CN;BOTJUTXXFQZXQR-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321308;MM321308;CCC1(C)CC=C(C#N)C1;WPVOJYKSEDAJGY-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321309;MM321309;C#CC(F)C=CC(O)CC;QEUSPKIRQGSAIS-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321310;MM321310;C=CC1=CCC(C)(CN)C1;SLQHLCFZAOSSQT-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321311;MM321311;C#CC(C)C=CC(F)CN;WDULSUJCVJZOQA-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321312;MM321312;CCC(C#CC(C)C)CO;GHSRKLONNUOUQR-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321313;MM321313;C#CC(C)C=CC(C)NC;WZSFRCLGAFWCSC-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321314;MM321314;C=CC(C#CCF)CCO;WJPMCNZETCADCZ-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321315;MM321315;C#CC(N)C=CC(C)NC;VQPVZNLYCMQHJR-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321316;MM321316;C=CC1=CCC(C)(CF)C1;YOLMXPTYZLAWJN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321317;MM321317;C#CC(O)C=CC(C)NC;IPCOXZDZNLNGMT-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321318;MM321318;CC1(CF)CC=C(C#N)C1;YBVFTDUUEYVRFA-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321319;MM321319;C#CC(F)C=CC(C)NC;XHVIQRUZSUKMPD-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321320;MM321320;C=CC1=CCC(N)(CC)C1;ISTSRXKRARJLTM-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321321;MM321321;C#CC(C)C=CC(C)OC;SZZJZRCTQBURJG-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321322;MM321322;C=CC1=CCC(N)(CN)C1;MZZNIOCPEBGIHG-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321323;MM321323;C=CC1=CCC(N)(CO)C1;KSLASCRHBJGVDF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321324;MM321324;N=C(C=O)NN=CC(F)F;UKDIBWFIAVKUBH-UHFFFAOYSA-N;149.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321325;MM321325;C=CC(C(N)=O)C(C)CC;ODEOPDQUJUPITR-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321326;MM321326;C#CC(C)C=NN(C)CC;ZLCDQPSIIHYDOJ-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321327;MM321327;CCC1(O)CC=C(C=O)C1;YTUHULJOZAMUQK-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321328;MM321328;C#CC(F)C=NN(C)CC;FSECRGMWGDHVHM-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321329;MM321329;CCC1(O)CC=C(C#N)C1;OYYMMQSSAYVZFE-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321330;MM321330;C=CC(C)C=CC(C)C=C;IGUZSDIRNHOOPT-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321331;MM321331;C=CC1=CCC(O)(CN)C1;WHYKXCKCEAEFJE-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321332;MM321332;C=CC(C)C=CC(C)C=O;CFAQYXWTMSPZBB-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321333;MM321333;C=CC1=CCC(O)(CO)C1;DPJSXNWYENELBZ-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321334;MM321334;C=CC(C)C=CC(C)C#N;VOWHMTUCXZGMMR-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321335;MM321335;O=CC1=CCC(O)(CO)C1;HMEWCWAEOVBYJK-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321336;MM321336;CC(C=O)C=CC(C)C=O;RZFURKLSBJERSZ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321337;MM321337;N#CC1=CCC(O)(CO)C1;WIKBFLUTGHYJKR-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321338;MM321338;CC(C#N)C=CC(C)C#N;QSRQNSMPRKRKBF-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321339;MM321339;O=CC1=CCC(O)(CF)C1;DYSMPTHTLKOAFG-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321340;MM321340;C=CC(C)C=CC(O)C=C;ZCUVAMWRKKRBCU-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321341;MM321341;C=CC1=CCC(F)(CC)C1;JZDOHJPUWHZOSQ-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321342;MM321342;C=CC(C)C=CC(O)C#N;RDUFKBIDIZUNBQ-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321343;MM321343;CCC1(F)CC=C(C=O)C1;FIPYSEUSMJTZCO-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321344;MM321344;C=CC(O)C=CC(C)C=O;MKZWKTIHZDTVGS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321345;MM321345;CCC1(F)CC=C(C#N)C1;TZACWEAHIJVSKW-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321346;MM321346;CC(C=O)C=CC(O)C#N;OUNVANQDFISJLC-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321347;MM321347;C=CC1=CCC(F)(CN)C1;BPIFIJQUKZAARZ-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321348;MM321348;CC(C#N)C=CC(O)C#N;STFOVTSQERESKO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321349;MM321349;C=CC1=CCC(F)(CO)C1;MNDZJKYJHFQSFR-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321350;MM321350;C=CC(C)C=CC(F)C=C;VYRPLHKFWWJMJG-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321351;MM321351;O=CC1=CCC(F)(CO)C1;ASMJCGLQVQAAIX-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321352;MM321352;C=CC(C)C=CC(F)C=O;UIFBKSGTLBGWLL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321353;MM321353;N#CC1=CCC(F)(CO)C1;DDFDSNBWMCEYFD-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321354;MM321354;C=CC(C)C=CC(F)C#N;NMMLNCFBSRGJSD-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321355;MM321355;C=CC1=CCC(C)(NC)C1;RPBVUHGKRRJDLI-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321356;MM321356;C=CC(F)C=CC(C)C=O;MLOZFPYHZIINBG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321357;MM321357;CNC1(C)CC=C(C=O)C1;DOUXPTYOXFSRJF-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321358;MM321358;C=CC(F)C=CC(C)C#N;LBQGAABAFRZGFC-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321359;MM321359;CC(C#N)C=CC(F)C=O;MLXOHSLYRABTLK-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321360;MM321360;CNC1(C)CC=C(C#N)C1;FDRAXIXBTXWHFQ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321361;MM321361;C=CC(N)C=CC(F)C=C;GHOGGQMDSSTYHA-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321362;MM321362;C=CC1=CCC(C)(OC)C1;AOVRAQIPKXXHOB-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321363;MM321363;C=CC(O)C=CC(O)C#N;KIERUWYCDJFQHM-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321364;MM321364;COC1(C)CC=C(C=O)C1;LBELSBQIFTZUJE-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321365;MM321365;O=CC(O)C=CC(O)C=O;CYNHPQSIVONKNB-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321366;MM321366;COC1(C)CC=C(C#N)C1;SGIAEAQSWBTYND-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321367;MM321367;N#CC(O)C=CC(O)C=O;WUNAAUBRLBOQJT-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321368;MM321368;CCC1(C)CC(C=O)=CN1;UIQSNIGHGFRREQ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321369;MM321369;C=CC(O)C=CC(F)C#N;HGRZSHJKAKKPDR-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321370;MM321370;CCC1(C)CC(C#N)=CN1;DBWLVHLPJAXOKV-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321371;MM321371;C=CC(F)C=CC(O)C#N;MXOBRQJDUNBAIN-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321372;MM321372;CC1(CO)CC(C=O)=CN1;SBMPKJSKBPZVSJ-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321373;MM321373;C=CC(F)C=CC(F)C=O;HLVLERMCBGPIEB-UHFFFAOYSA-N;146.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321374;MM321374;CC=C(C)C(CC)C(N)=O;IVORFPGDPFLKDG-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321375;MM321375;C=CC(C)C=CN(C)C=N;ALEUKVUXHPRHSU-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321376;MM321376;C=CC1=NNC(C)(CC)C1;WILZSBBDIRAAJQ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321377;MM321377;C=CC(C)C=CN(C)C=O;AMKUQOLVSFQCEB-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321378;MM321378;CCC(C#CCCF)CO;DIWICVMCQTVBGZ-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321379;MM321379;C=CC(C)C=CN(N)C=N;VFDFYTBFSRAYBD-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321380;MM321380;C=CCC#CC(CC)CO;XREVMGCHOSSFEB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321381;MM321381;C=CC(C)C=CN(N)C=O;NMFOKCZNCPHCGI-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321382;MM321382;C=CC1=NNC(C)(CN)C1;MNHIIBZDYYYCRJ-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321383;MM321383;C=CC(C)C=CN(O)C=N;CJUHFNNOQWUECF-UHFFFAOYSA-N;140.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321384;MM321384;N#CC#CCCC1CC1O;STFHAZUTTAYHHC-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321385;MM321385;C=CC(C)C=CN(O)C=O;AWQZPJVGUVVFHR-UHFFFAOYSA-N;141.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321386;MM321386;CC1(CO)CC(C#N)=NN1;HLVNGVYLMHKWGH-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321387;MM321387;CC(C#N)C=CN(O)C=N;JXXVELHOXCJZPY-UHFFFAOYSA-N;139.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321388;MM321388;C=CC1=COC(C)(CC)C1;MIGLSXVMJVUHSK-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321389;MM321389;C=CC(N)C=CN(C)C=N;NEXNXTBAMJIPGX-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321390;MM321390;CCC1(C)CC(C=O)=CO1;QRPNOEOLSPCDJL-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321391;MM321391;C=CC(O)C=CN(C)C=N;CEZHZHJKQXRFMY-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321392;MM321392;CCC1(C)CC(C#N)=CO1;DYQTVRAKSZYSMA-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321393;MM321393;CN(C=N)C=CC(O)C=O;NXPSVLPBRTXAHQ-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321394;MM321394;C=CC1=COC(C)(CN)C1;DRLWDGCJVVWKJN-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321395;MM321395;CN(C=O)C=CC(O)C#N;HENRSPKZGPIFQY-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321396;MM321396;CC1(CF)CC(C=O)=CO1;MYJZJXCSVVGZNI-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321397;MM321397;N#CC(O)C=CN(O)C=O;VSDXTJLPOZCHDQ-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321398;MM321398;COC1(C)CC(C=O)=CO1;AVHHHSKWIGJYBO-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321399;MM321399;C=CC(F)C=CN(C)C=N;VIVVEXNZVLJZRM-UHFFFAOYSA-N;142.18;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321400;MM321400;C=CC1=NOC(C)(CC)C1;XGKZWWSWLMABRN-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321401;MM321401;C=CC(F)C=CN(C)C=O;ZPXBVPRPJWDDAU-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321402;MM321402;CCC1(C)CC(C=O)=NO1;GLMMTOXLMHUCSR-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321403;MM321403;C=CC(F)C=CN(N)C=N;OBOIZDDWHUMAPP-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321404;MM321404;CCC1(C)CC(C#N)=NO1;TZAPNUMSUGEGSW-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321405;MM321405;C=CC(F)C=CN(N)C=O;OWVPIOAOURTXMD-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321406;MM321406;C=CC1=NOC(C)(CN)C1;GMHMAGSTVINZSF-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321407;MM321407;C=CC(F)C=CN(O)C=O;VPZFKVLOWZBQTK-UHFFFAOYSA-N;145.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321408;MM321408;C=CC1=NOC(C)(CF)C1;ORNNHEHVDMGVBI-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321409;MM321409;CC(=O)C#CCC(C)CO;WLGAZYVIIZIABO-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321410;MM321410;C=CC1=NCC(C)(CC)N1;JEECGYLJPKUUAZ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321411;MM321411;C#CC(=O)CC(C)=NN=C;DPLPDAVEHQVFAZ-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321412;MM321412;CC(C)C(C)CCNC=O;RBYVWVUMNREVNB-UHFFFAOYSA-N;143.23;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321413;MM321413;CCC1(C)CN=C(C=O)N1;JDAJBNPPVINYJW-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321414;MM321414;C=CC(F)C=NN(C)C=O;JLKCTJBBBWMFPQ-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321415;MM321415;CCC1(C)CN=C(C#N)N1;VIYMIRWDCYHOQV-UHFFFAOYSA-N;137.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321416;MM321416;C=CN(C)C=NC(C)C=O;BLVZJFATYVELLO-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321417;MM321417;C=CC1=NCC(C)(CN)N1;HPFASUQMDBQYIC-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321418;MM321418;CC(C=O)N=CN(C)C=N;OWLISIMHQNPBSQ-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321419;MM321419;O=CCC#CCC1CC1O;BRAOBAZUIZIRTP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321420;MM321420;CC(C#N)N=CN(C)C=N;SIQFZAVFWWZYNX-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321421;MM321421;COC=NOCCCC=O;IAOHOMDHTPXSPJ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321422;MM321422;C=CC(C)N=CN(N)C=C;LNWOZFLJBLZVLQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321423;MM321423;C=CC1=NCC(C)(CF)N1;ZLTXQRIPQXQDFM-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321424;MM321424;C=CC(C)N=CN(N)C=O;ICUAEXRJFRRKNS-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321425;MM321425;C=CC=NOCCCC=O;YUSKDCCXTCQRKD-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321426;MM321426;C=C(CO)C(C)C1(C)CC1;UIHIMAFXFKYGCA-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321427;MM321427;C#CC=NOCCCC=O;UODJGZMRZLFVRA-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321428;MM321428;CC=C(CO)CC1(C)CC1;BVCCZLLUCIRBDA-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321429;MM321429;C=CC1=CCC(C)(CC)O1;RRHBZQODWGZGRB-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321430;MM321430;C=CC(C)N=CN(C)N=C;HLMLWQFOOXESAM-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321431;MM321431;CCC1(C)CC=C(C=O)O1;MYDTZBNZJCCCRF-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321432;MM321432;CC=C(CO)CC(C)CC;JDKVFOSIJRFEBT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321433;MM321433;CCC1(C)CC=C(C#N)O1;LRRSEVLHHJVOMM-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321434;MM321434;CN(C=N)C=CN(C)C=O;AWLJVROQENOGHM-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321435;MM321435;C=CC1=CCC(C)(CN)O1;KVAPAZSNCJSKNS-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321436;MM321436;CN(C=O)C=CN(C)C=O;IUVVIQJEUOOXMG-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321437;MM321437;C=CC1=CCC(C)(CO)O1;YTVGMWASKFFGMG-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321438;MM321438;CN(C=N)C=CN(O)C=N;DRIGUKOPXZBLRC-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321439;MM321439;CC1(CO)CC=C(C=O)O1;CWNUTBXXWMVVIZ-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321440;MM321440;NN(C=O)C=CN(O)C=O;KWXAICJCFLHPLW-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321441;MM321441;C=CC1=CCC(C)(CF)O1;QFFODCWZPYBRGE-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321442;MM321442;C=CN(C)C=NN(C)C=O;KOZPSVVDTHTZNO-UHFFFAOYSA-N;141.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321443;MM321443;CC1(CF)CC=C(C#N)O1;IMXIDFFTTYQERZ-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321444;MM321444;C=CN(N)C=NN(C)C=O;QWTYWJLVKWTMRM-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321445;MM321445;C=CC1=CCC(C)(OC)O1;RJZXVIICIWRDTA-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321446;MM321446;CN(C=O)N=CN(N)C=O;UKHDKBBWABHVFA-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321447;MM321447;COC1(C)CC=C(C#N)O1;ISVOZWXTZNLATN-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321448;MM321448;CCC(=CC(C)CC)CO;JDYCWSJPCHMJQS-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321449;MM321449;C=CC1=COC(C)(CC)O1;SKUQHLGBRVHFDV-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321450;MM321450;C=NN(C)C=NN(C)C=O;GVCNYLXEZNERJO-UHFFFAOYSA-N;142.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321451;MM321451;CCC1(C)OC=C(C=O)O1;KNNBVLOARMRLCU-UHFFFAOYSA-N;142.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321452;MM321452;C#CC(C)C=CC(C)C=C;YWSCZIOIWQYOFZ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321453;MM321453;CCC1(C)OC=C(C#N)O1;STIRUPGKVKAZFI-UHFFFAOYSA-N;139.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321454;MM321454;C#CC(C)C=CC(C)C=O;FTERJWUPGSHDJV-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321455;MM321455;C=CC1=COC(C)(CN)O1;QMXAYJRLTSAJHA-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321456;MM321456;C#CC(C)C=CC(C)C#N;NLHAWMQKHCLKRJ-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321457;MM321457;C=CC1=NOC(C)(CC)O1;CUTNUGWFZNYDBF-UHFFFAOYSA-N;141.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321458;MM321458;C#CC(N)C=CC(C)C=C;WRAGCOGWYIEQJG-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321459;MM321459;CCC1(C)ON=C(C=O)O1;OWBRZIHPVGIAJU-UHFFFAOYSA-N;143.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321460;MM321460;C#CC(O)C=CC(C)C=C;QIRBXWIZVLTTGU-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321461;MM321461;CCC1(C)ON=C(C#N)O1;VZKGYXLCXDJZKF-UHFFFAOYSA-N;140.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321462;MM321462;C#CC(O)C=CC(C)C#N;OMRBFBKTCDDZLX-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321463;MM321463;CC1(CO)ON=C(C#N)O1;BQDYQWPMVKVEBB-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321464;MM321464;C#CC(F)C=CC(C)C=C;HMIMUIDHTCCPPN-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321465;MM321465;C#CC1=CCC(C)(CC)C1;OQDZGCDKMCPPHJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321466;MM321466;C#CC(F)C=CC(C)C#N;UCHOUIUJJLLOHP-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321467;MM321467;C#CC1=CCC(C)(CN)C1;JUIXZWBIHVOQNM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321468;MM321468;C#CC(C)C=CC(O)C=C;SSUSRWJPRAFSQG-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321469;MM321469;CCC(C#CC1CC1)CO;ZWNAXMDEKNNAJM-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321470;MM321470;C#CC(O)C=CC(O)C=C;DKYJYMCELHMELP-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321471;MM321471;C#CC1=CCC(C)(CF)C1;QMMJLDZKTPQTQC-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321472;MM321472;C#CC(O)C=CC(O)C=O;UCIQFKKWUXHDRM-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321473;MM321473;C#CC1=CCC(N)(CC)C1;IDKINSCWAHIUAR-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321474;MM321474;C#CC(O)C=CC(O)C#N;OVALTSWEZWTVFD-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321475;MM321475;C#CC1=CCC(N)(CN)C1;VRMXLOXDRQRDBV-UHFFFAOYSA-N;136.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321476;MM321476;C#CC(F)C=CC(O)C=C;JPASFGXIKDLQTO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321477;MM321477;C#CC1=CCC(N)(CO)C1;FRDFXVZFQOKUQY-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321478;MM321478;C#CC(F)C=CC(O)C#N;PDUYQNWYMOWSMQ-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321479;MM321479;C=C(C)C=CC(C)O;QQDPDLMILRPTBK-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321480;MM321480;C#CC(C)C=CC(F)C=C;WINRVOJPPDWIDE-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321481;MM321481;C#CC1=CCC(O)(CN)C1;GIIKOJAFNLRZEJ-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321482;MM321482;C#CC(O)C=CC(F)C=C;ARKTXNHVGVAIGU-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321483;MM321483;C#CC1=CCC(O)(CO)C1;ICXIZTBIJWVPHL-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321484;MM321484;C#CC(F)C=CC(F)C=O;NIHVVXVEMRHXFZ-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321485;MM321485;C#CC1=CCC(O)(CF)C1;HJOVNSOGBDJTBX-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321486;MM321486;C#CC(N)C=CN(C)C=N;PCYJAVWZGNJNQR-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321487;MM321487;C#CC1=CCC(F)(CC)C1;JZUKAZCDHWDQAQ-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321488;MM321488;C#CC(F)C=CN(C)C=N;NESYKCZRGAADDL-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321489;MM321489;C#CC1=CCC(F)(CN)C1;NEAFQYOEIRWCCH-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321490;MM321490;C#CC(F)C=CN(C)C=O;ZBLJZVGOQBMZCR-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321491;MM321491;C#CC1=CCC(F)(CO)C1;RXURZNBHGNXZGH-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321492;MM321492;C#CC(C)C=CN(O)C=O;LMXMBQBBHFPYJV-UHFFFAOYSA-N;139.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321493;MM321493;C#CC1=CCC(C)(NC)C1;OAMKUTNGZYFUCZ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321494;MM321494;C=CC(=CC(=C)CC)CO;ZBLVVDBYXNWBRU-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321495;MM321495;C#CC(C)N=CN(C)N=C;YNQAFSCFVXYCDV-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321496;MM321496;C#CC1=CCC(C)(OC)C1;RQLHCJYAYPSOMG-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321497;MM321497;C#CC(C)C=NN(C)C=O;ZQLRPNNZJVDCNG-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321498;MM321498;C#CC1=NNC(C)(CC)C1;UVEPYXQLZBCXDJ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321499;MM321499;C#CC(C)C=CC(C)C#C;KDNSLLRIVBOLOP-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321500;MM321500;C#CC1=NNC(C)(CN)C1;LSLCHILCMOIAKT-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321501;MM321501;C#CC(C)C=CC(N)C#C;ZPTCPKZSRWDYPW-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321502;MM321502;C#CCC=CC(C)O;YRCRZJJCELZNIU-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321503;MM321503;C#CC(C)C=CC(F)C#C;WVWVMQHBQLQUQK-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321504;MM321504;C#CC1=COC(C)(CC)C1;VJRXVCKBIUSQTQ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321505;MM321505;C=C(C=CC(C)CC)CC;YPOXMJXZMFRTMD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321506;MM321506;C#CC1=COC(C)(CN)C1;BFIYNZYTHSONOY-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321507;MM321507;C=C(C=CC(C)CC)CN;RSBFUHVCWPNWIW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321508;MM321508;C#CC1=COC(C)(CO)C1;GNYGHGBWPUZQLH-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321509;MM321509;C=C(C=CC(C)CC)CO;MFTPIHMFFQAHRA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321510;MM321510;C#CC1=COC(C)(OC)C1;LGQMOISWGFYNDW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321511;MM321511;C#CC1=NOC(C)(CC)C1;ZBSYHXCDDICYTJ-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321512;MM321512;C=C(C=CC(C)CC)CF;KWWHGCAONXPQJF-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321513;MM321513;C=C(C=CC(C)CN)CC;XAKCTNZPWWCEQY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321514;MM321514;C#CC1=NOC(C)(CN)C1;ZLFVHRXMCMXLFG-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321515;MM321515;C=C(C=CC(C)CN)CF;GGGLWFACSJEYGZ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321516;MM321516;C#CC1=NOC(C)(CF)C1;ZAWLAMVHBNEZEB-UHFFFAOYSA-N;141.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321517;MM321517;C=CC(=CC(=C)CF)CO;QHWHAZVYGUNLNL-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321518;MM321518;C#CC1=CCC(C)(CC)O1;KGWMAWASMHEHLJ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321519;MM321519;C=CC(=CC(C)=CC)CO;UZEUCGSZMBARPK-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321520;MM321520;C#CC1=CCC(C)(CN)O1;BHQKQMZJENLSAJ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321521;MM321521;C=CC(=CC(C)=CF)CO;IVOPUIBPZUXMNF-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321522;MM321522;C#CC1=CCC(C)(CO)O1;RNNPBNQIZLIIIJ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321523;MM321523;C=C(C=CC(C)CF)CC;PNVWCVYGIDKJHK-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321524;MM321524;C#CC1=CCC(C)(CF)O1;BITUQLGWVUJZSE-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321525;MM321525;C=C(C=CC(C)CF)CN;ULQACLNAHGBLND-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321526;MM321526;C#CC1=CCC(C)(OC)O1;HACIBOXSVRHBNO-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321527;MM321527;CCC(=O)C=CC(C)CC;LHOXWJHTYBDRDC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321528;MM321528;C#CC1=COC(C)(CC)O1;GEBRXTBFGOQEEU-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321529;MM321529;CCC(C)C=CC(=O)CO;YRWBMIXYRXSGRM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321530;MM321530;C#CC1=COC(C)(CN)O1;XDROXWRIFOSMNA-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321531;MM321531;CC(C=CC(=O)CO)CO;FREWHYQCGCXXLZ-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321532;MM321532;C#CC1=NOC(C)(CC)O1;DXXRZOTWWLLTSU-UHFFFAOYSA-N;139.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321533;MM321533;CCC(=O)C=CC(C)CF;ZKZSMKXGMWSBQN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321534;MM321534;C=CC1(C)CC=C(CC)C1;LAFYMFCVVQQQRS-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321535;MM321535;CC(C=CC(=O)CF)CF;CGKUOFUGCLENQZ-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321536;MM321536;C=CC1(C)CC=C(CN)C1;ASQKQEPIYUZNLU-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321537;MM321537;C=C(C=CC(N)CC)CC;RBHLXJSRYGTGBQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321538;MM321538;Nc1ncn(N)c1F;FOZGMQMSIFXHLR-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321539;MM321539;C=C(C=CC(N)CC)CF;ISLJSRPLJFDWNX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321540;MM321540;C=CC1(C)CC=C(CF)C1;NEOBYHWYKWDBTQ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321541;MM321541;C=C(C=CC(N)CN)CC;SIQYMXPHWJNVAM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321542;MM321542;CCC1=CCC(C)(C=O)C1;PQRJPYNRPKDBAH-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321543;MM321543;C=C(C=CC(N)CN)CO;OTPOQTDRFPLJDS-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321544;MM321544;CCC1=CCC(C)(C#N)C1;HKIXTBYJHVQKLN-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321545;MM321545;C=C(C=CC(N)CO)CN;FLEQNVMBWXBRIF-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321546;MM321546;C#CC=CC1CC1O;NBQQIIQYYPRCNP-UHFFFAOYSA-N;108.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321547;MM321547;C=C(C=CC(N)CF)CC;JTVXYOCCFFEOSH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321548;MM321548;CC1(C#N)CC=C(CO)C1;FYOYAQNQMROBHT-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321549;MM321549;C=C(C=CC(N)CF)CO;RZPLOLMAXDDMFX-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321550;MM321550;CC1(C=O)CC=C(CF)C1;VYUPBSVORSNJDI-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321551;MM321551;C=C(CO)C(C)C(C)CC;DTIQYWBMWWRANS-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321552;MM321552;CC1(C#N)CC=C(CF)C1;OMJBGPXREICCRG-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321553;MM321553;C=C(CC)C(=C)C(=C)CO;OPJFCGVUDLBXMX-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321554;MM321554;C=CC1(N)CC=C(CC)C1;AFVJUSGTUWEROK-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321555;MM321555;C=C(C=CC(O)CN)CC;IVNSQBAJQLDJRA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321556;MM321556;C=CC1(N)CC=C(CN)C1;QZHGWTFDYXFMMT-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321557;MM321557;C=C(C=CC(O)CN)CO;LXFLQXJBOLILSH-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321558;MM321558;C=CC1(N)CC=C(CO)C1;NEOZVXPPGPMSMI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321559;MM321559;C=C(C=CC(O)CO)CC;CWYKFRFJVKYOSA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321560;MM321560;C=CC1(N)CC=C(CF)C1;KJVVYXNUDUJSLP-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321561;MM321561;C=C(C=CC(O)CF)CC;YMDBMBOBVYZIPI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321562;MM321562;C=C(C(N)=O)C(C)(C)C;ZAWQXWZJKKICSZ-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321563;MM321563;C=C(C=CC(O)CF)CN;UDIFLTLLAFHESI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321564;MM321564;C=CC1(O)CC=C(CN)C1;JWDYTIFLGXQZEM-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321565;MM321565;C=C(C=CC(O)CF)CO;GVUWYVHBYKHIQB-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321566;MM321566;C=CC1(O)CC=C(CO)C1;HCYBGRSFYAFNSG-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321567;MM321567;CCC(=O)C=CC(O)CC;IUZNTWGKGMWGSY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321568;MM321568;C=CC1(O)CC=C(CF)C1;CHGSMIMRBJYZOA-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321569;MM321569;CCC(O)C=CC(=O)CF;FKSGOSIGZGBIEY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321570;MM321570;CCC1=CCC(O)(C=O)C1;HXWYRAPBRJTDBC-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321571;MM321571;CCC(=O)C=CC(O)CO;AQCQLGPJKIMBGI-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321572;MM321572;CCC1=CCC(O)(C#N)C1;FCXVZSFKLYTIPO-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321573;MM321573;C=C(C=CC(F)CC)CC;NAGDYBCJFRQPAT-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321574;MM321574;O=CC1(O)CC=C(CO)C1;CCIOTNHSESJNLS-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321575;MM321575;C=C(C=CC(F)CC)CO;IAOUEBPBRXHYNH-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321576;MM321576;N#CC1(O)CC=C(CO)C1;SSEYXPDMXJZQAJ-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321577;MM321577;C=C(C=CC(F)CC)CF;QQPLYNXMYLWXJN-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321578;MM321578;O=CC1(O)CC=C(CF)C1;RKURTSLWLPCQTO-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321579;MM321579;C=C(C=CC(F)CN)CO;SSHLNGVACYYXCB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321580;MM321580;N#CC1(O)CC=C(CF)C1;XHRSWDBMXAIYKB-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321581;MM321581;C=C(C=CC(F)CO)CN;XHWBWABNMBMAPI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321582;MM321582;C=CC1(F)CC=C(CC)C1;HJGCTBSTRWHEPO-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321583;MM321583;CCC(=O)C=CC(F)CC;UYZVUNPYJHCWGX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321584;MM321584;C=CC1(F)CC=C(CN)C1;AJSZWNRLDKRLRU-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321585;MM321585;O=C(C=CC(F)CF)CO;ZIMYAFUOTMNUMG-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321586;MM321586;C=CC1(F)CC=C(CO)C1;KISABMITASDTBA-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321587;MM321587;C=CC1(F)CC=C(CF)C1;KPUYTOOOGATAID-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321588;MM321588;CCC(C)C=CC(=N)NC;JELANCGQHRMLAT-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321589;MM321589;CCC1=CCC(F)(C=O)C1;GCUFIZSDJBNXKW-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321590;MM321590;CCC(C)C=CC(=N)NN;BEGISZNKWNABHK-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321591;MM321591;CCC1=CCC(F)(C#N)C1;SFTCVSUKMCNVTM-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321592;MM321592;CCC(C)C=CC(=N)NO;CGQYHWPCDJILKB-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321593;MM321593;O=CC1(F)CC=C(CO)C1;BCXCMNFGYWERJP-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321594;MM321594;CC(C=CC(=N)NN)CO;QKIBWIXIHUGHHB-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321595;MM321595;N#CC1(F)CC=C(CO)C1;CMIKQDRFFZLGBG-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321596;MM321596;CC(C=CC(=N)NO)CO;COSZQDVVIVBIKI-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321597;MM321597;O=CC1(F)CC=C(CF)C1;RUSXLYJVWOHWNX-UHFFFAOYSA-N;146.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321598;MM321598;C=C(CO)C(=C)C(=C)CF;ZTTQARKDLRWEKP-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321599;MM321599;N#CC1(F)CC=C(CF)C1;KUKYKUYEVQPKBH-UHFFFAOYSA-N;143.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321600;MM321600;C=C(CO)C(=C)C(C)=CC;TVMNJGABYJGUQI-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321601;MM321601;C=CC1(C)CC=C(OC)C1;HYSSGYXROSNGNR-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321602;MM321602;CCC(C)C=CC(=O)NO;SHQJNXAQFWTIAW-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321603;MM321603;COC1=CCC(C)(C=O)C1;SMQPXZLDRJXSHS-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321604;MM321604;CNC(=N)C=CC(N)CN;ZPHJHXBGIXZOFO-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321605;MM321605;COC1=CCC(C)(C#N)C1;XLDWNNPAURNJSF-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321606;MM321606;CNC(=N)C=CC(N)CO;DPGNFMMLRCTRCI-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321607;MM321607;C=CC1(N)CC=C(OC)C1;SYZNMNRRQASSLV-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321608;MM321608;CNC(=N)C=CC(N)CF;ZIOADRDRAQMGGA-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321609;MM321609;C=CC1(O)CC=C(OC)C1;AYXUVUJLTBMIFO-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321610;MM321610;NC(C=CC(=O)NO)CO;OMAJBDRSNGZSIR-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321611;MM321611;COC1=CCC(O)(C=O)C1;WSDZVVFXUXFEFK-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321612;MM321612;CCC(O)C=CC(=N)NN;VAKITYVLZLULRV-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321613;MM321613;COC1=CCC(O)(C#N)C1;UKKDLKFWNYWPFS-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321614;MM321614;CNC(=N)C=CC(O)CO;LTLYNNGZVMQCCG-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321615;MM321615;C=CC1(F)CC=C(OC)C1;BFLPIEBHKLLAMT-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321616;MM321616;N=C(C=CC(O)CO)NN;UUMHAKULKJNUJG-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321617;MM321617;COC1=CCC(F)(C=O)C1;UXPXZSROBFFTFD-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321618;MM321618;N=C(C=CC(O)CO)NO;PHHJHDVZGKVVEW-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321619;MM321619;COC1=CCC(F)(C#N)C1;XAEAQMZJVUCFAB-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321620;MM321620;C#CC(ON=C)C(C)C=O;KIFMQNNXKVBJDM-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321621;MM321621;C=CC1(C)CC(CC)=NN1;FQQZUYVDHLYMNH-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321622;MM321622;CCC(F)C=CC(=N)NC;MUWDBOFSRSVNAK-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321623;MM321623;C=CC(C)C=CC(N)=O;MNPVGQLICOYMLS-UHFFFAOYSA-N;125.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321624;MM321624;CCC(F)C=CC(=N)NN;WMLNEMDROZYEJT-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321625;MM321625;C=C(C=CC(C)O)CC;PPVRNLKEILMFJM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321626;MM321626;N=C(C=CC(F)CN)NO;QYBXKZMHOGHSNI-UHFFFAOYSA-N;147.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321627;MM321627;C=C(C=CC(C)O)CF;SKHPHBHJLCHUBT-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321628;MM321628;CNC(=N)C=CC(F)CO;JRBZHHFJNGFUQU-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321629;MM321629;CC=C(C)C=CC(C)O;WNPQZBPMUYMWGS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321630;MM321630;N=C(C=CC(F)CO)NO;ASXAHKJPUCIFMS-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321631;MM321631;CC(C=CC(C)O)=CF;QWXIADANIHQOHP-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321632;MM321632;N=C(C=CC(F)CF)NN;LIKIVMVBZJJOJG-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321633;MM321633;C#CC(C=C)=CC(C)O;QWGYOTVCTQSOAX-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321634;MM321634;N=C(C=CC(F)CF)NO;STRNUFWJTYMLCD-UHFFFAOYSA-N;150.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321635;MM321635;C=CCC#CCC(C)O;PLDIHMRJEKYDPY-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321636;MM321636;NCC(F)C=CC(=O)NO;IVUPSHZAJPWLCU-UHFFFAOYSA-N;148.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321637;MM321637;C=CCCC=CC(N)=O;YJNIRCMYKHVVCG-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321638;MM321638;C=CC=C(C=CCC)CO;OXYRUJAUQVYOPM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321639;MM321639;CC=CCC=CC(N)=O;IHRGEFFPTYENKB-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321640;MM321640;COC(=O)C=CC(F)CO;ZWGIWNUCASFGCJ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321641;MM321641;CC=C(C(N)=O)C(C)C;JFGYUCGTUWLMGQ-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321642;MM321642;C=C(C=CC(C)NC)CC;XKUMMOQHFUSQKR-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321643;MM321643;CCC(C(N)=O)=C(C)C;CIQRFIBIJDVLKP-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321644;MM321644;C=C(C=CC(C)NC)CF;DOUWKENEIFWGLG-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321645;MM321645;C=CC1(C)CC(CC)=CO1;PZQZARYKBZYWTO-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321646;MM321646;CCC(=O)C=CC(C)NC;SKDWKFMUHVLPBN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321647;MM321647;C=CC1(C)CC(CN)=CO1;TYTYCHVVAUMXNW-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321648;MM321648;C=C(C=CC(C)NC)OC;HJKLBPJNVCUMSP-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321649;MM321649;C=CC1(C)CC(CO)=CO1;OJKZLTHSIRONFQ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321650;MM321650;C=C(C=CC(C)OC)CO;JVVJAPAVNOCLAB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321651;MM321651;C=CC1(C)CC(CF)=CO1;VLGAOFVRVWBNON-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321652;MM321652;C=C(C=CC(C)OC)CF;WAWAIJMXDFLYFO-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321653;MM321653;CCC1=COC(C)(C=O)C1;ATYMGKWUSDEEPB-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321654;MM321654;COC(C)C=CC(=O)CO;IGRCFGQUCLPPIX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321655;MM321655;CCC1=COC(C)(C#N)C1;ZCYXQTPHFVHDKQ-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321656;MM321656;COC(C)C=CC(=O)CF;YXYHKBLNCPLDHS-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321657;MM321657;CC1(C=O)CC(CO)=CO1;QJRILESNQPLDLI-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321658;MM321658;C#CCC(=CC=CC)CO;JFZWYIUTPOPQPO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321659;MM321659;CC1(C#N)CC(CO)=CO1;BPQFFIMCEWCFCP-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321660;MM321660;C=C(C=CC(C)OC)OC;HUAGAPUVXZFMCP-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321661;MM321661;CC1(C=O)CC(CF)=CO1;VSJJPOWRBXLGIL-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321662;MM321662;CCC(=O)C=CN(C)CC;NTQDLPIJRBZFEM-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321663;MM321663;CC1(C#N)CC(CF)=CO1;WZAQVTIMFMQJMY-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321664;MM321664;C#CCC(=CC=CF)CO;BRAHETFEWBMQAV-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321665;MM321665;C=CC1(C)CC(OC)=CO1;WXDPJCMMHOZUPU-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321666;MM321666;CCN(C)C=CC(=N)NN;SZWFAVPCDOQFMZ-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321667;MM321667;COC1=COC(C)(C=O)C1;RWLJHKLPHFDKKO-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321668;MM321668;CCN(C)C=CC(=N)NO;HUOPKUTXXMXFBX-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321669;MM321669;COC1=COC(C)(C#N)C1;USGWJFVRQPKEQD-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321670;MM321670;CCC(=O)N=CN(C)CC;KNHUTESWOWBHBV-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321671;MM321671;C=CC1(C)CC(CC)=NO1;MPRCNJRDIIUUDO-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321672;MM321672;CC=CC(=CC=CF)CO;BZTDDVLQTVZUGS-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321673;MM321673;C=CC1(C)CC(CN)=NO1;DVUBDKNSNVBGSJ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321674;MM321674;C=C(CO)C(C)C1CC1O;UBDLSUGYSXGQRY-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321675;MM321675;CNc1[nH]nc(N)c1C;DCUYXXKTIOGXST-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321676;MM321676;CCC(CC)CCNC=O;HPDFHUYWBHWDRW-UHFFFAOYSA-N;143.23;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321677;MM321677;C=CC1(C)CC(CF)=NO1;AZFYTKBJWMTRKT-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321678;MM321678;CC=C(CO)CC1CC1C;DWZFHHRFGGRZMY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321679;MM321679;CCC1=NOC(C)(C=O)C1;OLZGPAKDZKPKGN-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321680;MM321680;CCN(N)C=NC(=N)NC;FZIAOTBDOAVZNC-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321681;MM321681;CCC1=NOC(C)(C#N)C1;XKABRGRDFOBWCS-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321682;MM321682;CCN(N)C=NC(=N)NO;WPJMZJXXJIGXGU-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321683;MM321683;CCC#CC(CC)CO;YGGYJDYEHSUFQM-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321684;MM321684;CC=C(CO)CC1CC1O;DMZJYTSAFHHCLN-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321685;MM321685;CC1(C=O)CC(CF)=NO1;WLSHQSHIDGRIEL-UHFFFAOYSA-N;145.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321686;MM321686;CCN(O)C=NC(=N)NC;FXCZGLOOMWVBNZ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321687;MM321687;CC1(C#N)CC(CF)=NO1;RUYBEWQMYSAJOZ-UHFFFAOYSA-N;142.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321688;MM321688;CCN(O)C=NC(=N)NN;XGVWXYORORFIIX-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321689;MM321689;C=CC1(C)CC(=NO)NO1;DSNVNRGPLPWJLE-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321690;MM321690;CCN(O)C=NC(=N)NO;DHDUMQCKOUKVBZ-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321691;MM321691;CC1(C#N)CC(=NO)NO1;KTKJCCPAIJMQOI-UHFFFAOYSA-N;141.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321692;MM321692;CCN(O)C=NC(=O)NC;PALUTKVHTGWAIT-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321693;MM321693;C=CC1(C)CC(OC)=NO1;JYXDIUPFNKMCEC-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321694;MM321694;CCN(C)C=NC(=O)OC;JEYQUGYDJQTDEB-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321695;MM321695;COC1=NOC(C)(C=O)C1;ZQIDAIGBNIGYTD-UHFFFAOYSA-N;143.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321696;MM321696;CCN(N)C=NC(=N)OC;TZIIRAVMODKSMX-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321697;MM321697;COC1=NOC(C)(C#N)C1;CZTCPTMIVDINQM-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321698;MM321698;CNC(=N)N=CN(C)NC;NMJZYQDGJOSWTG-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321699;MM321699;C=CC1(C)CNC(CC)=N1;ALHPOAQPIIMVAP-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321700;MM321700;CNN(C)C=NC(=N)NO;OBRAYCWABRBXDF-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321701;MM321701;C=CC1(C)CN=C(CN)N1;JGURVEAAVPQKHW-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321702;MM321702;CCC(=CC1CC1C)CO;JFYQRIDNGKXKSP-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321703;MM321703;C=CC1(C)CN=C(CF)N1;BMLKXQDGCVLWHI-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321704;MM321704;CON(C)C=NC(=O)CO;UTECGFCQKQGBQK-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321705;MM321705;CCC1=NC(C)(C=O)CN1;PLAIQYMTMNHCBQ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321706;MM321706;CNC(=N)N=CN(C)OC;BOHRLIYHRXHWHG-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321707;MM321707;CNC1=NC(C=O)CO1;UTIKBHCABKSBOB-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321708;MM321708;COC(=N)N=CN(C)OC;SOFSQKSJUQQGOQ-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321709;MM321709;CC1(C=O)CN=C(CF)N1;JVSCJAZPKUWHSL-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321710;MM321710;CCC(C)=CC(C)C(N)=O;DXSIYCRMYVUOQC-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321711;MM321711;C=C(C=NN(C)CC)CC;JYXFQJFFPRNLKT-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321712;MM321712;C=CC1(C)CN=C(NC)N1;MLBUWZWYWLVOLL-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321713;MM321713;N#CC(=CN)C1CC1CO;LTGDMXWJLPNVTC-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321714;MM321714;C=CC1(C)CN=C(NN)N1;YFYWAIFIVBUURH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321715;MM321715;C=C(C=NN(C)CC)OC;UIWCVIZPCSJJNT-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321716;MM321716;C=CC1(C)CN=C(NO)N1;WHQHXYZONRQWRX-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321717;MM321717;CCN(C)N=CC(=O)OC;KQPOKXRAWIFBET-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321718;MM321718;CNC1=NCC(C)(C=O)N1;VXINBYOOIIRATK-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321719;MM321719;C=CC(=C)C=CC(C)CC;PJKZAITXIQLRMI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321720;MM321720;C=CCC(=C)C=CC(C)O;YRFADLDMPGQSGF-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321721;MM321721;C=C(C=O)C=CC(C)CC;FJAPBKOVPCFWOG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321722;MM321722;CC1(C=O)CN=C(NO)N1;XAVNXQIVWZVEKS-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321723;MM321723;C=C(C#N)C=CC(C)CC;FKCRLVKFJALMCT-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321724;MM321724;C=C(C=CC(C)O)CC=O;UPAFNWKABVVAIX-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321725;MM321725;CC1C(C#CC#N)C1CO;HCHKLDTUVMUKGD-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321726;MM321726;C=CC1(C)CN=C(OC)N1;SVPJPFPPIPUEDC-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321727;MM321727;NN=CC#CC(F)C1CO1;IVWCXEMQZHESBP-UHFFFAOYSA-N;142.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321728;MM321728;COC1=NCC(C)(C=O)N1;NHWOJSQIMBXPMM-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321729;MM321729;CCC(C#CC1CN1)CO;DGGGWWRMMNZIPQ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321730;MM321730;C=C(C=CC(C)O)CC#N;VCBGJDSDLUEWGZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321731;MM321731;C=C(C=O)C=CC(C)CF;UNEMJDPCKCHBMA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321732;MM321732;C=CC1(C)CC=C(CC)O1;GLPYVJLKUKFGNQ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321733;MM321733;C=CC(=O)C=CC(C)CC;QFGVAIKYPTVAFO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321734;MM321734;C=CC1(C)CC=C(CN)O1;RFSRDYOCMKEGGJ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321735;MM321735;CCC(C)C=CC(=O)C=O;ZNKYTQLIPDHALR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321736;MM321736;C=CC1(C)CC=C(CO)O1;LVMBUQFQSKTYHK-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321737;MM321737;O=C1CNC1;XPRVSYXHPUYSGF-UHFFFAOYSA-N;71.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321738;MM321738;C=CC1(C)CC=C(CF)O1;ZQKADFLERNLLJJ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321739;MM321739;CC(C=CC(=O)C#N)CF;MNJZGLBJOJHUBP-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321740;MM321740;CCC1=CCC(C)(C=O)O1;JSZBXHXWWCEHJT-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321741;MM321741;C=CC(=C)C=CC(N)CC;MFNRBHQKKPIQEU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321742;MM321742;CCC1=CCC(C)(C#N)O1;PUWOWCHWDIAHEQ-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321743;MM321743;C=CC(=C)C=CC(N)CF;GQVKHGZZVCXFLP-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321744;MM321744;CC1(C=O)CC=C(CO)O1;JLVSTNHJFSRFGF-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321745;MM321745;C=C(C)CCCO;LOFHPLKGPULNQP-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321746;MM321746;CC1(C#N)CC=C(CO)O1;BBIMFBIVCVFBDG-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321747;MM321747;C=C(CC)CCCO;ZPDCMMAJDPNCST-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321748;MM321748;CC1(C#N)CC=C(CF)O1;SAGZHJAXLVRDKM-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321749;MM321749;C=C(CF)CCCO;XFYCVGXKUOYQIA-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321750;MM321750;C#CCC(=C)C=CC(C)O;APZJWUZDVZTUST-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321751;MM321751;C=CC(=C)C=CC(O)CN;YSVQJIXFMVNZJJ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321752;MM321752;CCC=C(C)C=CC(C)O;GYPQOAYNILUGQY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321753;MM321753;C=CC(=C)C=CC(O)CF;UFDUQTKCSXTSFU-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321754;MM321754;C=C(C(C)C)C(C)C(N)=O;YCJAWPBHHMOGQM-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321755;MM321755;C=CC(=O)C=CC(O)CC;HQSQHGNEPZRXGC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321756;MM321756;CC(C)=C(C)C(C)C(N)=O;GIFXZMITBJIFLK-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321757;MM321757;O=CC(=O)C=CC(O)CF;BCXUMWNPIJFGCX-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321758;MM321758;C=CC1(C)OC=C(CC)O1;CPCQHFSDULDVLE-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321759;MM321759;N#CC(=O)C=CC(O)CF;AXKHJQKQLQLBME-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321760;MM321760;C=CC1(C)OC=C(CN)O1;QPHZDPFAOIRUSW-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321761;MM321761;C=CC(=C)C=CC(C)NC;IQBCXAAIDVOKKK-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321762;MM321762;C=CC1(C)OC=C(CO)O1;XLNZOCCXAFNDLN-UHFFFAOYSA-N;142.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321763;MM321763;C=CC1(C)OC=C(CF)O1;WQLVGDJDPVZXGM-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321764;MM321764;C=C(C#N)C=CC(C)NC;GKWXTMFCNFOMIC-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321765;MM321765;CCC1=COC(C)(C#N)O1;PSVRPSFHWLWXJS-UHFFFAOYSA-N;139.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321766;MM321766;CNC(C)C=CC(=O)C#N;XQXZKHQFCMWUOM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321767;MM321767;CC1(C#N)OC=C(CO)O1;GLRQLCGIHVRHEU-UHFFFAOYSA-N;141.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321768;MM321768;C=CC(=C)C=CC(C)OC;YEQXLPQURRWDPC-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321769;MM321769;CC1(C=O)OC=C(CF)O1;UQLAOPSAUITCKD-UHFFFAOYSA-N;146.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321770;MM321770;C=C(C=O)C=CC(C)OC;GBTBMCZGAPVDBU-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321771;MM321771;CC1(C#N)OC=C(CF)O1;GQFPIGARGHRVRV-UHFFFAOYSA-N;143.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321772;MM321772;C=C(C#N)C=CC(C)OC;XVJONJQXQMQDBX-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321773;MM321773;C=CC1(C)ON=C(CC)O1;KUDNDYWFDFOCQE-UHFFFAOYSA-N;141.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321774;MM321774;C=CC(=O)C=CC(C)OC;DPOCUJIOSXAWPD-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321775;MM321775;C=CC1(C)ON=C(CO)O1;KVSYLHQAPOXBII-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321776;MM321776;C=CC(=O)C=CN(C)CC;OSXOHTHCBABXTH-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321777;MM321777;C=CC1(C)ON=C(CF)O1;ASWOFZPMHRPEGB-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321778;MM321778;C=CC(=O)N=CN(C)CC;VBJKDBMUEISJDY-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321779;MM321779;CCC1=NOC(C)(C#N)O1;BUULIENXAJGITD-UHFFFAOYSA-N;140.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321780;MM321780;C=CC(=O)N=CN(N)CC;YHCJWGOZAFQFOZ-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321781;MM321781;CC1(C=O)ON=C(CO)O1;BEKMEZGSPGEKNW-UHFFFAOYSA-N;145.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321782;MM321782;CC=C(C)CCCO;ODXKXHIJYUXICI-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321783;MM321783;CC1(C#N)ON=C(CO)O1;DQCOSLSNXQGBSO-UHFFFAOYSA-N;142.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321784;MM321784;CC(=CF)CCCO;OLLZQEDKQBKQHV-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321785;MM321785;CC1(C=O)ON=C(CF)O1;BXNDTWVWDLXVTL-UHFFFAOYSA-N;147.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321786;MM321786;C=CC(=C)C=NN(C)CC;QUIXJIYRUXZKCA-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321787;MM321787;CC1(C#N)ON=C(CF)O1;SAKHZVSPRXHQMV-UHFFFAOYSA-N;144.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321788;MM321788;C=C(C#N)C=NN(C)CC;AHDZFPGTVCINKU-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321789;MM321789;C=CC1(C)ON=C(NC)O1;XIRXOGBWRYYQDC-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321790;MM321790;C#CC(=C)C=CC(C)CC;LHJVXSKYOJXQCN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321791;MM321791;CC(C)C=CC(C)C(N)=O;CXPMXNRRKGCWGC-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321792;MM321792;C#CC(=C)C=CC(C)CN;BTNQNNWOALDGOZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321793;MM321793;C#CC(C=CC)=CC(C)O;GYMKWYVYTWHLAC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321794;MM321794;C=Cc1c[nH]nc1N;JXRCDGSXQWVTRX-UHFFFAOYSA-N;109.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321795;MM321795;CNC1=NOC(C)(C#N)O1;NJQGCBKRZKIRDJ-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321796;MM321796;C#CC(=O)C=CC(C)CC;RNERHIKSYGSZMS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321797;MM321797;CCC(C=C(C)C)C(N)=O;XLOPYCVAHTXGLL-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321798;MM321798;C#CC(=O)C=CC(C)CF;MJUATRLIZFUVRU-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321799;MM321799;CCCC=CC(C)C(N)=O;KVSBDYUQCGKPEA-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321800;MM321800;C#CC(=C)C=CC(N)CC;NRMAHHCMWYXBJS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321801;MM321801;C=CC1(C)ON=C(OC)O1;ABKFRTSCCHDAQU-UHFFFAOYSA-N;143.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321802;MM321802;C#CC(=C)C=CC(N)CN;FDYICXWVOISCPB-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321803;MM321803;COC1=NOC(C)(C#N)O1;IDTFQWZTNHREMW-UHFFFAOYSA-N;142.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321804;MM321804;C=C(CCC)CCCO;NGQIGNYFXCCVCX-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321805;MM321805;C=CC1=CCC(C)(C=C)C1;HQUAUOCGKIXZPQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321806;MM321806;C#CC(=O)C=CC(O)CO;DERAKEZBLUCUNK-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321807;MM321807;C=CC1(C)CC=C(C=O)C1;VFGLHHHOPZJYJI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321808;MM321808;C#CC(=C)C=CC(F)CC;JGBMNMFSDKLJMU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321809;MM321809;C=CC1(C)CC=C(C#N)C1;ILFWFTZRYLMLSR-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321810;MM321810;C#CC(=C)C=CC(C)NC;QWRVGPFQHBTLHF-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321811;MM321811;C=CC1=CCC(C)(C=O)C1;USRUFRFTCUGNJD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321812;MM321812;C#CC(=C)C=CC(C)OC;YEVIQENWTONQLZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321813;MM321813;C=CC1=CCC(C)(C#N)C1;PYXPYCYBNJTCBV-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321814;MM321814;C#CC(=O)C=CC(C)OC;WKGZPHWEXQTINE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321815;MM321815;CC1(C=O)CC=C(C=O)C1;FKYPEVPSCAHKRT-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321816;MM321816;C=C(CCF)CCCO;HSJXUHRKAKWKFL-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321817;MM321817;CC1(C=O)CC=C(C#N)C1;MLPGYGDWRJBVAZ-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321818;MM321818;C=CCC(=C)CCCO;KNZQIHSBJPJOLM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321819;MM321819;CC1(C#N)CC=C(C=O)C1;RKTLHADTSGIDKO-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321820;MM321820;C#CC(=C)C=NN(C)CC;XSFYHVMHSVYDNB-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321821;MM321821;CC1(C#N)CC=C(C#N)C1;RGFCKFCNCAWNEJ-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321822;MM321822;C=CC1=CCC(N)(C=C)C1;GRYSWVQGJAIHSN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321823;MM321823;C=CC(C)C=CC(=C)CC;OVNRMPAVTZUZGX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321824;MM321824;C=CC(C)CC(=CC)CO;PAOLERLPHGJGNH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321825;MM321825;C=CC(C)C=CC(=C)CN;CAQTWGXBXLVDCP-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321826;MM321826;C=CC1(O)CC=C(C=O)C1;ALJUBGZNXLWVEL-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321827;MM321827;C=CC(C)C=CC(=C)CO;OWPYQGBSZAOJEL-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321828;MM321828;C=CC1(O)CC=C(C#N)C1;FYGTZQDKRFIOQF-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321829;MM321829;C=CC(C)C=CC(=C)CF;CEIDFRLJDDWEAH-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321830;MM321830;C=CC1=CCC(O)(C=O)C1;QYNPOLPAUZHXIY-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321831;MM321831;C=C(C=CC(C)C=O)CC;PMSSSKAOCOLXEE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321832;MM321832;C=CC1=CCC(O)(C#N)C1;VOQOIXOBGSFISU-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321833;MM321833;C=C(C=CC(C)C#N)CC;YEXSNNVKTIGCRN-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321834;MM321834;O=CC1=CCC(O)(C=O)C1;FLEDUPVFXVKMKJ-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321835;MM321835;C=C(C=CC(C)C#N)CO;IMCWDTOCZXSTCK-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321836;MM321836;N#CC1=CCC(O)(C=O)C1;SPWTYWMYLPSTCC-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321837;MM321837;C=CC(C)C=CC(=O)CC;QAWIYTSCRYKGMX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321838;MM321838;N#CC1(O)CC=C(C=O)C1;NAZMCJWDCJTRID-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321839;MM321839;C=CC(C)C=CC(=O)CF;NUTLUMMJNGIWLU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321840;MM321840;N#CC1=CCC(O)(C#N)C1;SOICOZXPPGABSP-UHFFFAOYSA-N;134.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321841;MM321841;CCC(=O)C=CC(C)C=O;JPYFCUMUQKTPBX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321842;MM321842;C=CC1=CCC(F)(C=C)C1;LMMQLROPGRXPTM-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321843;MM321843;CCC(=O)C=CC(C)C#N;YEHVRUCDLOOMHO-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321844;MM321844;C=CC1(F)CC=C(C=O)C1;LWJDYDZRQNZLJC-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321845;MM321845;C=CC(N)C=CC(=C)CC;YHWXVDBHHIWMFM-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321846;MM321846;C=CC1(F)CC=C(C#N)C1;XPTZSDHEODUNOT-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321847;MM321847;C=CC(N)C=CC(=C)CN;OBYFTBNINZFXQR-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321848;MM321848;C=CC1=CCC(F)(C=O)C1;ZZGNQAZVOIWRPJ-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321849;MM321849;C=CC(O)C=CC(=C)CC;UUTYRYYTZZJDJC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321850;MM321850;C=CC1=CCC(F)(C#N)C1;PHTFMNGZKCFZTP-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321851;MM321851;C=C(C=CC(O)C#N)CF;JQRUUDGYUPHLQQ-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321852;MM321852;O=CC1=CCC(F)(C=O)C1;MJAQXXZJDMOKGC-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321853;MM321853;C=CC(O)C=CC(=O)CC;NEOVVIJYLJDCQI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321854;MM321854;N#CC1=CCC(F)(C=O)C1;IENVZUDRGJKSIP-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321855;MM321855;O=CC(O)C=CC(=O)CO;CPBYSAUGIRXBNT-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321856;MM321856;N#CC1(F)CC=C(C=O)C1;YXQUGPPTLRGPMV-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321857;MM321857;N#CC(O)C=CC(=O)CO;CKPJCTHLNVQRHG-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321858;MM321858;N#CC1=CCC(F)(C#N)C1;JXWVOFIDPWVRNZ-UHFFFAOYSA-N;136.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321859;MM321859;C=CC(F)C=CC(=C)CC;MIJHHDYLNCPOPG-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321860;MM321860;C=CC1(C)CC(C=O)=CN1;BCGOJRICZGPOER-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321861;MM321861;C=CC(F)C=CC(=C)CN;DXUOZQSJCSWWMI-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321862;MM321862;C=CC1(C)CC(C#N)=CN1;WDQDEDPEQVTNKG-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321863;MM321863;C=CC(C)C=CC(=N)NN;HLVZDGYLYZSFBE-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321864;MM321864;CC1(C=O)CC(C=O)=CN1;LUCXRABGBBRELT-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321865;MM321865;C=CC(N)C=CC(=O)NC;SBSOENADZIGTAO-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321866;MM321866;CC1(C=O)CC(C#N)=CN1;HLDVUVPHPIBWEV-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321867;MM321867;CNC(=N)C=CC(O)C#N;KZPHRFLPBUMRES-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321868;MM321868;CC1(C#N)CC(C=O)=CN1;ANNTWBZSIDWHOX-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321869;MM321869;N#CC(O)C=CC(=N)NO;IEILXVKUCWQOCG-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321870;MM321870;CC1(C#N)CC(C#N)=CN1;NUIFKWVYONFNET-UHFFFAOYSA-N;133.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321871;MM321871;C=CC(O)C=CC(=O)NC;DYNONNDPCKKADV-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321872;MM321872;C=CC1=NNC(C)(C=C)C1;MONVXCGDVYWYOI-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321873;MM321873;C=CC(F)C=CC(=N)NC;PJYPCRBJYZJJBR-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321874;MM321874;C=CC(C)C=C(CC)CO;LBNRNQOPHPRQAM-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321875;MM321875;C=CC(F)C=CC(=N)NN;YOUPWLHLRIHCIG-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321876;MM321876;CCC(C#N)=CC(C)CO;IKNLZMVJWVCBIM-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321877;MM321877;C=CC(F)C=CC(=N)NO;KNUITTCDQIMXJV-UHFFFAOYSA-N;144.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321878;MM321878;C=CC1=NNC(C)(C=O)C1;KTIISKZBWHBXBB-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321879;MM321879;C#CCC(=C)CCCO;YYGHOKWQWVJWKZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321880;MM321880;C=CC(=C)C=C(C=C)CO;URZCXNQMHSPRKZ-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321881;MM321881;COC=C(C)CCCO;SKBNNYVQWSBNEK-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321882;MM321882;C=CC(=CC(=C)C=O)CO;OLJLYGGKVHIALQ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321883;MM321883;C=CC(F)C=CC(=O)NO;ZSWLDGHNROYCOS-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321884;MM321884;CCC(C=CC(C)O)=CF;OIERFYYHRULODA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321885;MM321885;C=C(C=CC(C)C#N)OC;VOABHZHJHFVTAQ-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321886;MM321886;CC(O)C=CC(=CF)CF;AGOHTBUAUZMSKW-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321887;MM321887;COC(=O)C=CC(C)C#N;PMDSHSNTNXYTBI-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321888;MM321888;C=CC(=C)C(=C)C(=C)CO;RFBRCOGVLZYCAB-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321889;MM321889;C=C(C=CC(O)C#N)OC;NWRFXJAQAXYUJA-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321890;MM321890;C=CC1=COC(C)(C=C)C1;AENLAURAWMQCDQ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321891;MM321891;COC(=O)C=CC(O)C#N;XAQXRFIXLJPSNC-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321892;MM321892;C=CC1(C)CC(C=O)=CO1;TWARXSNSTQQRNS-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321893;MM321893;C=C(C=CN(C)C=N)CC;DMKYXIYVPZCRAM-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321894;MM321894;C=CC1(C)CC(C#N)=CO1;YJPACKDDHTXEME-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321895;MM321895;C=C(C=CN(C)C=N)CO;HJUHRYDPRZYICY-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321896;MM321896;C=CC1=COC(C)(C=O)C1;IIHLXUFDXKIYDK-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321897;MM321897;C=C(C=CN(C)C=O)CC;KAUPLDQTMQARDG-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321898;MM321898;C=CC1=COC(C)(C#N)C1;LMCZVUJKILIMNP-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321899;MM321899;C=C(C=CN(C)C=O)CN;RHTXLFREBIAAGJ-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321900;MM321900;CC1(C=O)CC(C=O)=CO1;FZVCFELCGPGYBK-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321901;MM321901;CN(C=N)C=CC(=O)CO;UQIQBKRHYXNSPV-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321902;MM321902;CC1(C=O)CC(C#N)=CO1;DRYCJBPMGLMVQW-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321903;MM321903;CN(C=O)C=CC(=O)CF;YVVBWGSRIKWFHL-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321904;MM321904;CC1(C#N)CC(C=O)=CO1;MGFUAALKJLKOQX-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321905;MM321905;C=C(C=CN(N)C=N)CC;NLBZXQGYPKPHNK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321906;MM321906;CC1(C#N)CC(C#N)=CO1;WTVSQGKDRHVLHZ-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321907;MM321907;C=C(C=CN(N)C=N)CO;WTJCYMRKYYNSHH-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321908;MM321908;C=CC1=NOC(C)(C=C)C1;VTLNIOXWOBFYFZ-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321909;MM321909;C=C(C=CN(N)C=O)CC;PIRYTZVZSDSQEQ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321910;MM321910;C=CC1(C)CC(C=O)=NO1;CSOSUZZTHGKCCI-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321911;MM321911;C=C(C=CN(N)C=O)CF;ZFDKMGWDLRQPET-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321912;MM321912;C=CC1(C)CC(C#N)=NO1;PGHKYDYOFUQJIW-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321913;MM321913;C=C(C=CN(O)C=N)CC;AOAIXRLWRLEQBD-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321914;MM321914;C=CC1=NOC(C)(C=O)C1;OFWWGXAQZXZJHX-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321915;MM321915;C=C(C=CN(O)C=N)CN;WCYPFBBQKTWNMJ-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321916;MM321916;C=CC1=NOC(C)(C#N)C1;GAFRDZDNHZWNCJ-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321917;MM321917;C=C(C=CN(O)C=N)CO;KSTRUXPRXPYWMN-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321918;MM321918;CC1(C=O)CC(C=O)=NO1;MLWWQAORWKBYEU-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321919;MM321919;C=C(C=CN(O)C=O)CC;DGYGGHGRRCMZGT-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321920;MM321920;CC1(C=O)CC(C#N)=NO1;KJDMJBGQWBAWLA-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321921;MM321921;CN(C=N)C=CC(=N)NN;AGSCPKGTCMYOSZ-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321922;MM321922;CC1(C#N)CC(C=O)=NO1;QAJYZSYBTBEWPM-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321923;MM321923;CN(C=N)C=CC(=N)NO;ROPIJGPNIBOTIQ-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321924;MM321924;CC1(C#N)CC(C#N)=NO1;XYWUIHMJQBJGNH-UHFFFAOYSA-N;135.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321925;MM321925;CNC(=N)C=CN(C)C=O;IBOHVVJJKJYPNU-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321926;MM321926;C=CC1=NCC(C)(C=C)N1;VEQNASZFOODGBK-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321927;MM321927;CN(C=O)C=CC(=N)NN;RXVVGHQLHUZUBZ-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321928;MM321928;C=C(C=O)C(=C)C(=C)CO;PTNWOFLUAKYHEA-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321929;MM321929;CN(C=O)C=CC(=N)NO;LVIKENZIQDOLHJ-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321930;MM321930;C=CC(C)C(C)=C(C)CO;DCVYVCUUMTWJCI-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321931;MM321931;CC(CO)=C(C)C(C)C=O;JFQXEFMCOOLNLX-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321932;MM321932;CNC(=O)C=CN(C)C=N;FWVUAYQUSKFCKF-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321933;MM321933;C=C(C#CCF)C(O)CC;LWYVVORBOQUYMF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321934;MM321934;CNC(=N)C=CN(N)C=N;REDFRHGHQNLKQE-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321935;MM321935;N#CC(=N)N=CNCC=O;BFZNPPQZZNDTGN-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321936;MM321936;N=CN(N)C=CC(=N)NN;PVOGJNVAJJHKIG-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321937;MM321937;CC(C=O)N(C=O)CC=O;JXURBFIJGVGZJX-UHFFFAOYSA-N;143.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321938;MM321938;N=CN(N)C=CC(=N)NO;UXZMBHIANQANSO-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321939;MM321939;C=CC1=CCC(C)(C=C)O1;YSDGAVLQCAFUTQ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321940;MM321940;CNC(=N)C=CN(N)C=O;DRDKGWMXQAWXCK-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321941;MM321941;C=CC1(C)CC=C(C=O)O1;ZXBNWSLOWLEWHT-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321942;MM321942;N=C(C=CN(N)C=O)NO;JABQVCMZEBEOQQ-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321943;MM321943;C=CC1(C)CC=C(C#N)O1;GWKNXQQGUUIHNZ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321944;MM321944;N=CN(N)C=CC(=O)NN;LKVHFUBMGYEBGR-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321945;MM321945;C=CC1=CCC(C)(C=O)O1;XXKLIVXFGZFRPI-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321946;MM321946;N=CN(N)C=CC(=O)NO;HRYGLGSMYHRFAX-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321947;MM321947;C=CC1=CCC(C)(C#N)O1;OFYYFWKCWKGWHE-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321948;MM321948;NN(C=O)C=CC(=O)NO;QLASNLNHUZMLBD-UHFFFAOYSA-N;145.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321949;MM321949;CC1(C=O)CC=C(C=O)O1;WILOXEITHBIGGF-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321950;MM321950;CNC(=N)C=CN(O)C=N;PYBXPQOVWJIYGD-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321951;MM321951;CC1(C=O)CC=C(C#N)O1;LUMAXDJRPCVZNT-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321952;MM321952;N=CN(O)C=CC(=N)NN;UNWXDEYOFLLRGP-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321953;MM321953;CC1(C#N)CC=C(C=O)O1;LXCJONDVRCBKHO-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321954;MM321954;CC1(C#N)CC=C(C#N)O1;QNDSPUXNURPANH-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321955;MM321955;C=C(C=CN(C)C=N)OC;XKGOOLQPCPOXFR-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321956;MM321956;C=CC1=COC(C)(C=C)O1;TTYGVFFHRJGPTM-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321957;MM321957;C=C(C=CN(C)C=O)OC;RYSNHUMVKFIVJQ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321958;MM321958;C=CC1(C)OC=C(C=O)O1;GRGFDPPXBGMMKK-UHFFFAOYSA-N;140.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321959;MM321959;COC(=O)C=CN(C)C=N;YDVDPLUZRGRFRK-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321960;MM321960;C=CC1(C)OC=C(C#N)O1;SPNOEEUNLQRNSS-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321961;MM321961;C=C(C=CN(N)C=O)OC;LMHIJUHUNDEDBR-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321962;MM321962;C=CC1=COC(C)(C#N)O1;HKUCCKNMLDNOBR-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321963;MM321963;C=NN(C)C=CC(=N)NN;AMQBSRSTJBGAAP-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321964;MM321964;CC1(C=O)OC=C(C#N)O1;WOPRFQQVNODZIV-UHFFFAOYSA-N;139.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321965;MM321965;C=NN(C)C=CC(=N)NO;SIRDVQTYVUXANB-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321966;MM321966;CC1(C#N)OC=C(C=O)O1;KETQPRYELHRIMV-UHFFFAOYSA-N;139.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321967;MM321967;C=CC=C(C)CCCO;RRZVHCFNTKBSPI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321968;MM321968;CC1(C#N)OC=C(C#N)O1;QRTZJNZCKCTPDS-UHFFFAOYSA-N;136.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321969;MM321969;C=NN(C)C=CC(=O)NO;QEASOEQRVZTICC-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321970;MM321970;C=CC1=NOC(C)(C=C)O1;PADLCTRUDBRATA-UHFFFAOYSA-N;139.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321971;MM321971;C=NN(C)C=CC(=O)OC;WPPZWNNSYKZMIY-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321972;MM321972;C=CC1(C)ON=C(C=O)O1;LCENWKTZCMJPPO-UHFFFAOYSA-N;141.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321973;MM321973;CCC(=N)N=CN(C)C=N;RJBYDLFQVSNVBT-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321974;MM321974;C=CC1(C)ON=C(C#N)O1;BLWIEXATEJVPDW-UHFFFAOYSA-N;138.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321975;MM321975;CN(C=N)C=NC(=N)CN;GZXSTDLKELQKPO-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321976;MM321976;C=CC1=NOC(C)(C#N)O1;KPEMKOGBBCBDMY-UHFFFAOYSA-N;138.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321977;MM321977;CC(=CC=O)CCCO;DMHLFZMTPBSQQD-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321978;MM321978;CC1(C=O)ON=C(C#N)O1;RLEOCMHBZHAZJJ-UHFFFAOYSA-N;140.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321979;MM321979;C#CC=C(C)CCCO;MZXPILPBRFPNSA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321980;MM321980;CC1(C#N)ON=C(C=O)O1;UWAKPRWCTYXSHD-UHFFFAOYSA-N;140.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321981;MM321981;CC1(C#N)ON=C(C#N)O1;DWYAOGUFYUPDCJ-UHFFFAOYSA-N;137.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321982;MM321982;N=C(CF)N=CN(N)C=O;GGPDZLRIZOWJMT-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321983;MM321983;C#CC1=CCC(C)(C=C)C1;UENDDWMGCVQLPF-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321984;MM321984;CCC(F)C(=O)N(C)N;VLMQSURPDSUHCB-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321985;MM321985;C#CC1=CCC(C)(C=O)C1;WYSAFNKSVZYLKJ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321986;MM321986;C=C(CCCO)C(C)C;HJSIWQFROOCRIS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321987;MM321987;C#CC1=CCC(C)(C#N)C1;MZXKRCJOCSBDRC-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321988;MM321988;C=CN(O)C=NC(=O)CC;KKIITVXOHQGMBC-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321989;MM321989;C#CC1=CCC(N)(C=C)C1;YLDKWMZRKOVFTF-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321990;MM321990;C=C(CCCO)C(F)F;APLUHZBPTDUNIY-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321991;MM321991;C=C(CO)C(CC)CC=O;ZAEFNYQTLHDXMM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321992;MM321992;C=CN(C)C=NC(=N)NN;LXMTWNRIOPWRMQ-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321993;MM321993;C#CC1=CCC(O)(C=O)C1;DYXXEDWLYIHPLJ-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321994;MM321994;C=CN(C)C=NC(=N)NO;CWPDRIGIURVVIG-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321995;MM321995;C#CC1=CCC(O)(C#N)C1;KQGBIKIXCMXPSE-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321996;MM321996;CNC(=N)N=CN(C)C=N;FZGSFNTWRPJXFT-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321997;MM321997;C#CC1=CCC(F)(C=C)C1;VGLOVEGWKVNBQI-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321998;MM321998;CNC(=N)N=CN(C)C=O;RJNXSENHSBJUIS-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM321999;MM321999;C#CC1=CCC(F)(C=O)C1;YYNYDDIXJURLGZ-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322000;MM322000;CC(F)=C(C)CCCO;PLPIPCYSBKGEJR-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322001;MM322001;C#CC1=CCC(F)(C#N)C1;OFCRTHSUFVHJNK-UHFFFAOYSA-N;135.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322002;MM322002;CN(C=O)C=NC(=O)NN;YUVYUSPERJNGJZ-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322003;MM322003;C#CC1=NNC(C)(C=C)C1;RYNJCCVEUPFOTP-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322004;MM322004;C=CN(N)C=NC(=N)NC;QTIQAGKPZNWYJT-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322005;MM322005;C=CC(=CC=O)C(=C)CO;ALVAXESREIPALA-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322006;MM322006;C=CN(N)C=NC(=N)NN;PAGBTXVKFAJDHP-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322007;MM322007;CCC(CC=O)=C(C)CO;PBZCVNZXYZTCOI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322008;MM322008;C#CC1=COC(C)(C=C)C1;SZGJCOAQXHGOON-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322009;MM322009;CNC(=N)N=CN(N)C=O;DNXZXNUYRKMCGZ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322010;MM322010;C#CC1=COC(C)(C=O)C1;WBZUSXIDZGOZAB-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322011;MM322011;CC(CCCO)=C(F)F;CGZCGYTVQVFOJL-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322012;MM322012;C#CC1=COC(C)(C#N)C1;JDLJYGZWJDTSKX-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322013;MM322013;Nc1nn(N)c(F)c1N;YROURYVAZRNBOF-UHFFFAOYSA-N;131.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322014;MM322014;C#CC1=NOC(C)(C=C)C1;RNQNRYWMNZYPDG-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322015;MM322015;NNC(=O)N=CN(N)C=O;FRIFCCNHWGFXEH-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322016;MM322016;C#CC1=NOC(C)(C=O)C1;CIYLQSRYRSXXPR-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322017;MM322017;C=CN(O)C=NC(=N)NN;QPHWYWJTRUTHRO-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322018;MM322018;C#CC1=NOC(C)(C#N)C1;XFZSCYHJBTWYHT-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322019;MM322019;C=CN(O)C=NC(=O)NC;AETLLHPSFOUTCQ-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322020;MM322020;C=CC=CC(=CC=C)CO;FYLZULIHCLHKHI-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322021;MM322021;CC1=NOC(C=O)C1C;RFHWKNDYPKDSDU-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322022;MM322022;C#CC1=CCC(C)(C=C)O1;OMPWWBBHNNPSTF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322023;MM322023;CC=C(CC)CCCO;AWQZWHKMNUYFPW-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322024;MM322024;C#CC1=CCC(C)(C=O)O1;QRFJOMJTGYGTLF-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322025;MM322025;COC(=N)N=CN(C)C=O;OBRVMDAQIUWORL-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322026;MM322026;C#CC1=CCC(C)(C#N)O1;AKIAFWQWEAQNIX-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322027;MM322027;C=CN(N)C=NC(=N)OC;DLVDZVYLBUMTHX-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322028;MM322028;C#CC1=COC(C)(C=C)O1;RRDTWRBVNWRPNQ-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322029;MM322029;CCC(=CF)CCCO;ZBDYPWAYZAKIPK-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322030;MM322030;C#CC1=COC(C)(C=O)O1;JZCOKSPPWRRECJ-UHFFFAOYSA-N;138.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322031;MM322031;C=NN(C)C=NC(=N)NC;SMMZWRMGLLGVGP-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322032;MM322032;C#CC1=COC(C)(C#N)O1;HHSNNZQEAUGHRE-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322033;MM322033;C=NN(C)C=NC(=N)OC;QCUAKTVPIXXRAE-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322034;MM322034;C#CC1=NOC(C)(C=C)O1;BKVGGCFBKBBPPM-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322035;MM322035;C=C(C=NN(C)C=N)CC;CXRLUWXGGCCNAU-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322036;MM322036;C#CC1=NOC(C)(C#N)O1;MLBUEBVTLIYUPA-UHFFFAOYSA-N;136.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322037;MM322037;C=C(C=NN(C)C=N)CN;NHMRDSJQNCKOHI-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322038;MM322038;C#CC1(C)CC=C(CC)C1;ASZTYMVTJVQKKE-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322039;MM322039;C=C(C=NN(C)C=O)CC;LLPGTNCXMMRQHC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322040;MM322040;C#CC1(C)CC=C(CN)C1;VALASHQHEPKWIM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322041;MM322041;C=C(C=NN(C)C=O)CN;YEZSDJRGTFGCLQ-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322042;MM322042;C#CC1(C)CC=C(CO)C1;KYYNLJDGDPKRME-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322043;MM322043;C=C(C=NN(C)C=O)CF;VVJMWFKLXXQHGS-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322044;MM322044;C#CC1(C)CC=C(CF)C1;GKZVEBFWJSOVRA-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322045;MM322045;C#CC1(N)CC=C(CC)C1;OXWUPWPXDZEMQV-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322046;MM322046;CC=C(CO)CCCO;CNTBASQZVICUSW-UHFFFAOYSA-N;130.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322047;MM322047;C#CC1(N)CC=C(CN)C1;YIMGCDUNQYHTMD-UHFFFAOYSA-N;136.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322048;MM322048;CN(C=O)N=CC(=O)CO;JOVSXKHPPSADNS-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322049;MM322049;C#CC1(N)CC=C(CO)C1;RSIFFEVEMMATPH-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322050;MM322050;CNC(=N)C=NN(C)C=O;DEZGDKZDANLBBU-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322051;MM322051;C#CC1(N)CC=C(CF)C1;QGAJQGDAUDSLKC-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322052;MM322052;CN(C=O)N=CC(=O)NN;UAPSBJZVOJWGMS-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322053;MM322053;C#CC1(O)CC=C(CC)C1;VSOYIKOKVRRSCQ-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322054;MM322054;CN(C=O)N=CC(=O)NO;KUTFTJCQSXSSOO-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322055;MM322055;C#CC1(O)CC=C(CN)C1;LXWGWYCNRPLCBH-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322056;MM322056;C=CC(=C)C=CC(C)C=C;XKBNXRGKWWCXAB-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322057;MM322057;C#CC1(O)CC=C(CO)C1;FBZJLUVSHMJKNM-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322058;MM322058;C=CC(C)C=CC(=C)C=O;KZMVVZYNQUMRDU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322059;MM322059;C#CC1(O)CC=C(CF)C1;NDWGQSRYAZMGMR-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322060;MM322060;C=CC(C)C=CC(=C)C#N;WSYYKHDDFCNTLQ-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322061;MM322061;C#CC1(F)CC=C(CC)C1;WXLQYZKGFLSFNM-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322062;MM322062;C=CC(=C)C=CC(C)C=O;BEPPRZPYDSJVOD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322063;MM322063;C#CC1(F)CC=C(CN)C1;HCULXXITSLUXEB-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322064;MM322064;C=C(C=O)C=CC(C)C=O;PCPLQLKLEJDWRJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322065;MM322065;C#CC1(F)CC=C(CO)C1;XKMLCRCFSZUGGX-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322066;MM322066;C=C(C#N)C=CC(C)C#N;MCPHIKOCGJTSSS-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322067;MM322067;C#CC1(F)CC=C(CF)C1;LBFCADZNUCSQER-UHFFFAOYSA-N;142.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322068;MM322068;C=CC(=O)C=CC(C)C=C;WAZROIJYGBLXRJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322069;MM322069;C#CC1(C)CC=C(OC)C1;KFJWUDIOMMYDMX-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322070;MM322070;C=CC(C)C=CC(=O)C#N;JJXZSXDAQRMJFV-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322071;MM322071;C#CC1(N)CC=C(OC)C1;DBOBFTINNFBCSN-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322072;MM322072;C=CC(=O)C=CC(C)C=O;WXRQMLYRNQVMBH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322073;MM322073;C#CC1(O)CC=C(OC)C1;CMORYLGMUJRBGY-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322074;MM322074;C=CC(=O)C=CC(C)C#N;ZPGSXKKCWQEHLC-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322075;MM322075;C#CC1(F)CC=C(OC)C1;VJXWEZOJHCNSTG-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322076;MM322076;CC(C=O)C=CC(=O)C=O;ZNGZDPLOZPXYCJ-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322077;MM322077;C=CC(CCCC)C(N)=O;OUZUGFHZGRHGEO-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322078;MM322078;CC(C#N)C=CC(=O)C=O;YTHIQFAACYGXJT-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322079;MM322079;CCCC#CC(CC)CO;HQZOXJDNOITWEW-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322080;MM322080;C#CC1NC1CC(=O)C=O;DLAHWGOVWBWJPQ-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322081;MM322081;CC(C#N)C=CC(=O)C#N;GGAFVLIQPPVFOW-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322082;MM322082;N#CC1=C(N)C(C=O)CC1;JNHMHMXEECFCSP-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322083;MM322083;C=CC(=C)C=CC(N)C=C;OHTDTGGGLMQNAX-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322084;MM322084;C#CC1(C)CC(CC)=CO1;LGROTNALJXXVIR-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322085;MM322085;C=CC(=C)C=CC(O)C=C;YXLREQBNJPXYMP-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322086;MM322086;C#CC1(C)CC(CN)=CO1;WBUPJAKOEFFBLU-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322087;MM322087;C=CC(O)C=CC(=C)C=O;HSECMCHPFPOZHA-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322088;MM322088;C#CC1(C)CC(CO)=CO1;CKECNAKNEJOJJF-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322089;MM322089;C=CC(O)C=CC(=C)C#N;WDGBCWJYQLRVSV-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322090;MM322090;C#CC1(C)CC(CF)=CO1;LFBKVEFYXLNVDX-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322091;MM322091;C=CC(=C)C=CC(O)C#N;WKHCKCRYCHUWCT-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322092;MM322092;C#CC1(C)CC(OC)=CO1;NVZGMIZUYBSKMA-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322093;MM322093;C=C(C=O)C=CC(O)C#N;UOCBWOIJDMFJOT-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322094;MM322094;C#CC1(C)CC(CC)=NO1;IZBGUTBWTFQNNW-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322095;MM322095;C=C(C#N)C=CC(O)C=O;CMRGEADSGSZGRZ-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322096;MM322096;C#CC1(C)CC(CN)=NO1;TWGGUFBJYIMENB-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322097;MM322097;C=C(C#N)C=CC(O)C#N;XERQUUOYVVZEDC-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322098;MM322098;C#Cc1[nH]nc(NN)c1N;DEUSBDBEVZTVNR-UHFFFAOYSA-N;137.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322099;MM322099;C=CC(=O)C=CC(O)C=C;QXXDRGRXGURWJP-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322100;MM322100;C#CC1(C)CC(CF)=NO1;KDPYPXJEHAHDBT-UHFFFAOYSA-N;141.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322101;MM322101;C=C(C=O)C=CC(F)C=O;QIEKVLLAPLJKGO-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322102;MM322102;C#CC1(C)CC(=NO)NO1;VHWHBCQRUVXQCK-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322103;MM322103;C=C(C=O)C=CC(F)C#N;LHPVVYPXYAGNCG-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322104;MM322104;C#CC1(C)CC(OC)=NO1;OSNPWWAKHJLKNR-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322105;MM322105;C=CC(=O)C=CC(F)C#N;OSOVHHDSRKZJRV-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322106;MM322106;C#CC1(C)CN=C(CN)N1;BAZRTNONGTUHKJ-UHFFFAOYSA-N;137.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322107;MM322107;C=CC(=C)C=CN(C)C=N;BKYLUKWHVYOREA-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322108;MM322108;C#CC1(C)CN=C(CF)N1;DSICQBVKLAXRJT-UHFFFAOYSA-N;140.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322109;MM322109;C=C(C#N)C=CN(C)C=N;LFIJLNLQCJIQDT-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322110;MM322110;C#CC1(C)CN=C(NC)N1;CCQZRSJTSZFDJJ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322111;MM322111;C=CC(=C)C=CN(C)C=O;HWDCGNUEHALXAL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322112;MM322112;C#CC1(C)CN=C(NN)N1;WCQRFVVWLWVAEP-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322113;MM322113;C#CC1(C)CN=C(NO)N1;BIVUIAMXBCABHX-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322114;MM322114;C=CC(=O)C=CN(C)C=N;MNMJURCIXRQRCY-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322115;MM322115;C#CC#CC(C)C1CC1O;NFQJBYCIBUEGIZ-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322116;MM322116;CN(C=O)C=CC(=O)C=O;JXDPVODNXVMXBW-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322117;MM322117;C#CC1(C)CC=C(CC)O1;ANLZHOIKZBAPPQ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322118;MM322118;C=CC(=C)C=CN(N)C=N;URUAHQSWMPQGLO-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322119;MM322119;C#CC1(C)CC=C(CN)O1;KURBEHBAWUQPCR-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322120;MM322120;C=CC(=C)C=CN(N)C=O;KNLVLIZWQWYTJC-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322121;MM322121;C#CC1(C)CC=C(CO)O1;CJIWYCNQMITEPF-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322122;MM322122;C=CC(=N)N=CN(C)C=C;BHODDCYGDAXBRB-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322123;MM322123;C#CC1(C)CC=C(CF)O1;IHXZPSJIHAYVQW-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322124;MM322124;CN(C=O)C=NC(=N)C=O;OPKNLPLTTGIKNS-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322125;MM322125;C=CCC#CCC1CC1O;GNKKTDLTDHVOAV-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322126;MM322126;OCCCC(=CF)CF;FBHZGDIDMCWVIT-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322127;MM322127;CC=CCCCO;VTIODUHBZHNXFP-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322128;MM322128;C=C(C#N)C1CC1CO;XHGSUOYUUSJHRM-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322129;MM322129;C#CC1(C)OC=C(CC)O1;SDHSRCJWWWUVNF-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322130;MM322130;C=CC(=O)N=CN(C)N=C;XTAQGXFOQTZMHL-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322131;MM322131;C#CC1(C)OC=C(CN)O1;UTYRLCZIJYJEFI-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322132;MM322132;C=CC(=C)C=NN(C)C=N;LEFQTJNPXJLRPN-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322133;MM322133;C#CC1(C)OC=C(CO)O1;DRYWSIHXGDVNOH-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322134;MM322134;C=CC(=C)C=NN(C)C=O;XWUNSNRBEIBOFM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322135;MM322135;C#CC1(C)OC=C(CF)O1;KJOUJSJWFITLLB-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322136;MM322136;C=C(C=O)C=NN(C)C=O;GQNTZTYIYSRAJG-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322137;MM322137;C#CC1(C)ON=C(CC)O1;YUBITSYAVVEDSB-UHFFFAOYSA-N;139.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322138;MM322138;C=C(C#N)C=NN(C)C=O;FAHKLHKYXQPDSI-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322139;MM322139;C#CC1(C)ON=C(CO)O1;ARIKQDWOEYQTAH-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322140;MM322140;C=CC(=O)C=NN(C)C=N;YUNZMDLCPRORAQ-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322141;MM322141;C#CC1(C)ON=C(CF)O1;DHPVTPOHHMCZTK-UHFFFAOYSA-N;143.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322142;MM322142;C#CC1(C)ON=C(NC)O1;OPOTTWRVXODRHT-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322143;MM322143;C=CC(=O)C=NN(C)C=O;ZWWUUVMASNKWJJ-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322144;MM322144;OCCCC=CF;UNBVKTNOMOTUNK-UHFFFAOYSA-N;104.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322145;MM322145;C#CC(=C)C=CC(C)C=C;FMYURGTXPIVLFW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322146;MM322146;CC(C)=CCCCO;KXKYVCJJVWNXQR-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322147;MM322147;C#CC(=C)C=CC(C)C=O;UKCIDWGEEQOTSS-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322148;MM322148;C#CC1(C)ON=C(OC)O1;TUQJHPPTSONALR-UHFFFAOYSA-N;141.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322149;MM322149;C#CC(=C)C=CC(C)C#N;PYKZCBNKXMZAGM-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322150;MM322150;C#CC1(C)CC=C(C=C)C1;OKQRRUZWESHFOU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322151;MM322151;C#CC(=O)C=CC(C)C=C;KFHUCRKGQKVZGI-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322152;MM322152;C#CC1(C)CC=C(C=O)C1;XDVDDVFHSROFQX-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322153;MM322153;C#CC(=O)C=CC(C)C=O;KYMRHPNHKIIELQ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322154;MM322154;C#CC1(C)CC=C(C#N)C1;YOYOXNHLUVHMKV-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322155;MM322155;C#CC(=O)C=CC(C)C#N;NADJTIAPKAIOJQ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322156;MM322156;C#CC1(N)CC=C(C=C)C1;VLCDBFAIFBACPD-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322157;MM322157;C#CC(=C)C=CC(N)C=C;OCYDDWOQQOVUGU-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322158;MM322158;C#CC1(O)CC=C(C=C)C1;PWHIOISWNMKKGY-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322159;MM322159;C#CC(=C)C=CC(O)C=C;ZZFQCMHULFSCTM-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322160;MM322160;C#CC1(O)CC=C(C=O)C1;CELLGTLPCMBRHQ-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322161;MM322161;C#CC(=C)C=CC(O)C=O;IELVHYCQUNVORG-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322162;MM322162;C#CC1(O)CC=C(C#N)C1;XEULTIAXYDLZJQ-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322163;MM322163;C#CC(=C)C=CC(O)C#N;IXFQCUNWINQHTN-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322164;MM322164;C#CC1(F)CC=C(C=C)C1;HTOPHRAMXIWDEG-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322165;MM322165;C#CC(=O)C=CC(O)C#N;ZVDWNYBPJBQLGI-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322166;MM322166;C#CC1(F)CC=C(C=O)C1;FGFKSOCSRLZGDQ-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322167;MM322167;C#CC(=C)C=CC(F)C#N;ZYEBXCRZYYNPGG-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322168;MM322168;C#CC1(F)CC=C(C#N)C1;USHJHGGXMOSKHN-UHFFFAOYSA-N;135.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322169;MM322169;C#CC(=C)C=CN(C)C=N;FCBZDPTYTBOEFN-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322170;MM322170;C#CC1(C)CC(C=O)=CN1;WRZJSLOCECPWKO-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322171;MM322171;C#CC(=C)C=CN(C)C=O;FNJKCXRTJSBXHO-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322172;MM322172;C#CC1(C)CC(C#N)=CN1;CWTFPAVGTBGQIJ-UHFFFAOYSA-N;132.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322173;MM322173;C#CC(=O)C=CN(C)C=O;BYVSNOCPQHNMKW-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322174;MM322174;CC(F)=CCCCO;JXJZVXZCKASGGC-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322175;MM322175;C#CC(=C)C=CN(N)C=N;HGUAQPMJAIYWRY-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322176;MM322176;OCCCC=C(F)F;VQPAHZSJZHNBGK-UHFFFAOYSA-N;122.11;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322177;MM322177;C#CC(=C)C=CN(O)C=O;JDRVGLRQTJNWPP-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322178;MM322178;C=CC(=C)CCCO;WKAACRRCFZMHJC-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322179;MM322179;C#CC(=O)C=NN(C)C=O;UAPSDMFWGNZPKI-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322180;MM322180;C#CC1(C)CC(C=C)=CO1;IGMCJOOSQFQKCT-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322181;MM322181;C#CC(C)C=CC(=C)CC;HVIGFYMMRZPSFY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322182;MM322182;C#CC1(C)CC(C=O)=CO1;YKKDJIWWWGAEEV-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322183;MM322183;C#CC(C)C=CC(=O)CC;ODJDISCPQUGISC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322184;MM322184;C#CC1(C)CC(C#N)=CO1;VJRZKJXRTCNECP-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322185;MM322185;C#CC(N)C=CC(=C)CC;MCDSUFBCSZRULU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322186;MM322186;C#CC1(C)CC(C=C)=NO1;COTRTOSDWXKEKC-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322187;MM322187;C#CC(O)C=CC(=C)CC;GCVAUPSBWIZOLX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322188;MM322188;C#CC1(C)CC(C=O)=NO1;OVAMRBKCUVCXQM-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322189;MM322189;C#CC(O)C=CC(=C)CN;GMWXXPIEAUIYJR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322190;MM322190;C#CC1(C)CC(C#N)=NO1;STAYNAVWYSXUEN-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322191;MM322191;C#CC(O)C=CC(=C)CO;XKVRWIBTRFOFRS-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322192;MM322192;CC#CC(CC)CO;JCLHAYQAWRSLBG-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322193;MM322193;C#CC(N)C=CC(=N)NC;INCMNCQICYKLPF-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322194;MM322194;O=CC1CN(C=O)C1;USLIJPJCVQDHFV-UHFFFAOYSA-N;113.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322195;MM322195;C#CC(N)C=CC(=N)NO;WRVXKMXQJAVKTA-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322196;MM322196;C#CC1(C)CC=C(C=C)O1;OKZCFZKLCMZCIV-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322197;MM322197;C#CC1(C)CC=C(C=O)O1;VRVWTZNUDNPLON-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322198;MM322198;C#CC(O)C=CC(=N)NC;RLOMEGGBPXELSF-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322199;MM322199;C#CC1(C)CC=C(C#N)O1;WOFBWAQSJKPANU-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322200;MM322200;C#CC(F)C=CC(=N)NC;CNYSUEGOTWKRFO-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322201;MM322201;C#CC1(C)OC=C(C=C)O1;HHAXRZNYPNJEIS-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322202;MM322202;C#CC(F)C=CC(=N)NO;NQTFSFRZIBFCNH-UHFFFAOYSA-N;142.13;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322203;MM322203;C#CC1(C)OC=C(C=O)O1;AEKWUDDKMZKUPE-UHFFFAOYSA-N;138.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322204;MM322204;C=C(CCCO)C1CC1;NKWQZFSFRABJPI-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322205;MM322205;C#CC1(C)OC=C(C#N)O1;HZFRAXQIGOZYOH-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322206;MM322206;C#CC(F)C=CC(=O)NO;LSLPHNBOQDGHMH-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322207;MM322207;C#CC1(C)ON=C(C=C)O1;DZWLDUGANKAUCF-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322208;MM322208;C#CC(N)C=CC(=O)OC;IKZXZUDEBFCROP-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322209;MM322209;C#CC1(C)ON=C(C=O)O1;LBXMLERMEQEVSZ-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322210;MM322210;C#CC(O)C=CC(=O)OC;GQNMPNSERMMFEK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322211;MM322211;C#CC1(C)ON=C(C#N)O1;KJFIAIDCSJXUFA-UHFFFAOYSA-N;136.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322212;MM322212;C#CC(C)C=CC(=C)C=O;JEPRZLOLTBXDKV-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322213;MM322213;C#CC1=CCC(C)(C#C)C1;CWGIFBYIXMXOKE-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322214;MM322214;C#CC(C)C=CC(=C)C#N;UVWRTUOVLSUJBN-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322215;MM322215;C#CC1=CCC(N)(C#C)C1;DSZWRSLQAYBXKZ-UHFFFAOYSA-N;131.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322216;MM322216;C#CC(C)C=CC(=O)C=C;BAUZVKLZDGBPEG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322217;MM322217;C#CC1=CCC(O)(C#C)C1;HAFYRCWCLXKYDA-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322218;MM322218;C#CC(C)C=CC(=O)C=O;KEGYGWYBEUTKCN-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322219;MM322219;C#CC1=CCC(F)(C#C)C1;OGTBXUORWKDSAJ-UHFFFAOYSA-N;134.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322220;MM322220;C#CC(C)C=CC(=O)C#N;IGFRIYHSCDAOBK-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322221;MM322221;CCC=CCCCO;CUKAXHVLXKIPKF-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322222;MM322222;C#CC(N)C=CC(=C)C=C;UNJOZRMCWFHWEU-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322223;MM322223;C#CC1=COC(C)(C#C)C1;HZABWOJGFKFYNB-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322224;MM322224;C#CC(O)C=CC(=C)C#N;KEPQURPGIKKISP-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322225;MM322225;C#CC1=NOC(C)(C#C)C1;CRITYAOWJBGWRB-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322226;MM322226;C#CC(F)C=CC(=C)C#N;YFPLRLXSHGQMLJ-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322227;MM322227;OCCCC=CCF;RYONNFNCMDRGCX-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322228;MM322228;C#CC(F)C=CC(=O)C=C;NGQADIZITJIYPY-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322229;MM322229;C#CC1=CCC(C)(C#C)O1;IRGDTGPREDKQDO-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322230;MM322230;C#CC(=C)C=CC(C)C#C;SIFJISXEZHTPRO-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322231;MM322231;C#CC1=COC(C)(C#C)O1;QRNJWMMPYLBYQM-UHFFFAOYSA-N;134.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322232;MM322232;C#CC(=C)C=CC(N)C#C;MCDIBBJBUYXMEV-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322233;MM322233;C#CC1=NOC(C)(C#C)O1;ISYAAGONDJRSPH-UHFFFAOYSA-N;135.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322234;MM322234;C#CC(=C)C=CC(O)C#C;VZCOMEFOVMUMIT-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322235;MM322235;CCC1=CC(C)(CC)CC1;SSCOAPFUHXEAOA-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322236;MM322236;C=C(C=CC(=C)CC)CC;HHWXJXXCQNQAAL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322237;MM322237;CCC1(C)C=C(CN)CC1;GPOSBHVAAXEFSJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322238;MM322238;C=C(C=CC(=C)CN)CC;KWZYDXFOZVOQMO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322239;MM322239;CCC1(C)C=C(CO)CC1;YOOJPMNHEAYXQX-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322240;MM322240;C=C(C=CC(=C)CO)CC;ZFCSVZWPOASHOM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322241;MM322241;CCC1(C)C=C(CF)CC1;GDWAWCNDDLYALG-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322242;MM322242;C=C(C=CC(=C)CF)CC;BAIXDQHTXXGYNB-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322243;MM322243;CCC1=CC(C)(CN)CC1;FDUCNXIBTDKCQH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322244;MM322244;C=C(C=CC(=C)CO)CO;UWQGSNSGTZALJS-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322245;MM322245;CC1(CN)C=C(CN)CC1;QZPQCSREZQPDFX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322246;MM322246;C=C(C=CC(=O)CC)CC;IWPBKZQQBRERBZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322247;MM322247;CC1(CN)C=C(CO)CC1;XCNTUVRDJIZQSP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322248;MM322248;C=C(C=CC(=O)CF)CC;ABCALGIJMSIKLL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322249;MM322249;CC1(CN)C=C(CF)CC1;RFHDTBCVKZPZFI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322250;MM322250;CCC(=O)C=CC(=O)CC;GDUNUVQVVHHADI-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322251;MM322251;COC=CCCCO;GDFNGURPMSQFLZ-UHFFFAOYSA-N;116.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322252;MM322252;CCC(=O)C=CC(=O)CF;IAIZSLBAGFSZGI-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322253;MM322253;CC1(CO)C=C(CN)CC1;NBUSEIYKBCHPPF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322254;MM322254;O=C(C=CC(=O)CO)CO;QMOZMIKPJAZVHV-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322255;MM322255;C=CC=CCCCO;WNWNZFFQYAFLGP-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322256;MM322256;C=C(C=CC(=N)NC)CC;YCZAQRASGGUCLO-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322257;MM322257;CC1(CF)C=C(CN)CC1;DCBLCGTWDDNMSU-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322258;MM322258;C=C(C=CC(=N)NN)CC;CGVQDXFKUAHPSF-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322259;MM322259;CC1(CF)C=C(CO)CC1;LKYQENWWXHEZQT-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322260;MM322260;C=C(C=CC(=N)NO)CC;VXNGFYHNRSZJIX-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322261;MM322261;CC1(CF)C=C(CF)CC1;UJNKBGIUQLKIHB-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322262;MM322262;C=C(C=CC(=N)NO)CN;RMPCSUYOSLWATC-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322263;MM322263;CCC1=CC(N)(CC)CC1;KRQSLZIOVXVQOA-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322264;MM322264;C=C(C=CC(=N)NO)CO;TWNBQHLKWUXLHB-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322265;MM322265;CCC1(N)C=C(CN)CC1;ZLWHFGJBPAWXBB-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322266;MM322266;CC(CO)=C(C)C1CC1;KSJQIRUHWKUTBK-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322267;MM322267;CCC1(N)C=C(CO)CC1;CJFZEMRQEAAKTB-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322268;MM322268;C=C(C=CC(=O)NO)CF;WCNRREJNFCSSDG-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322269;MM322269;CCC1(N)C=C(CF)CC1;IXIPUVBNTBCLJW-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322270;MM322270;CN=C(N)C=CC(=O)CO;QMPAPORRIPTPEA-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322271;MM322271;CCC1=CC(N)(CN)CC1;QDZPRAOJFULRTD-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322272;MM322272;CNC(=O)C=CC(=O)CO;KSFMYLBJNQSNPP-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322273;MM322273;NCC1=CC(N)(CN)CC1;WWKCCEZUPDVOAO-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322274;MM322274;C=C(F)C#CC(C)(C)CO;DFYCRWOFIUQPAJ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322275;MM322275;NCC1(N)C=C(CO)CC1;YNWKAIIFJFIGFQ-UHFFFAOYSA-N;142.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322276;MM322276;CNC(=N)C=CC(=N)NC;HGXSBPCSKFZVDL-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322277;MM322277;NCC1(N)C=C(CF)CC1;VYNXFTSEPLAGRY-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322278;MM322278;CNC(=N)C=CC(=N)NN;NLGRDKCKVFWPCD-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322279;MM322279;CCC1=CC(N)(CO)CC1;FRGDBWPRQYVMLD-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322280;MM322280;CNC(=N)C=CC(=N)NO;JVVGLWFGMUDCSF-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322281;MM322281;NCC1=CC(N)(CO)CC1;RGASYBVYFWZJGG-UHFFFAOYSA-N;142.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322282;MM322282;N=C(C=CC(=N)NN)NN;YVGAQQONZIMTRQ-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322283;MM322283;NC1(CO)C=C(CF)CC1;QXFRHUGNHWIYGT-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322284;MM322284;N=C(C=CC(=N)NO)NN;YBVHWYXDNPDQGB-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322285;MM322285;CCC1=CC(N)(CF)CC1;OMCAQSIDGKABSW-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322286;MM322286;CNC(=O)C=CC(=N)NN;QRRUYSBALUCKPP-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322287;MM322287;N#CC=CCCCO;DRWFRCFENQRMFP-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322288;MM322288;N=C(C=CC(=O)NN)NN;JKJJVKZENPFQDV-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322289;MM322289;CCC1(O)C=C(CN)CC1;UEGAQXVQDIKQFY-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322290;MM322290;CNC(=O)C=CC(=N)NO;HRSKIFXGCXQVBH-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322291;MM322291;CCC1(O)C=C(CO)CC1;FZQIKOAGEJUTAM-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322292;MM322292;O=C(C=CC(=O)NO)NO;AVIXSAXDDXBROX-UHFFFAOYSA-N;146.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322293;MM322293;CCC1(O)C=C(CF)CC1;UAEJNJKOVKCLSY-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322294;MM322294;C=C(C=CC(=N)NC)OC;UFSXPKDBYAGNMA-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322295;MM322295;CCC1=CC(O)(CN)CC1;LOSOFFPMSXJVBS-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322296;MM322296;C=C(C=CC(=N)NN)OC;CPJYYDUWDKCTBO-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322297;MM322297;NCC1=CC(O)(CN)CC1;NZCFPJICIVTSJZ-UHFFFAOYSA-N;142.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322298;MM322298;C=C(C=CC(=N)NO)OC;KHBWQSGSGWUKLM-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322299;MM322299;NCC1(O)C=C(CO)CC1;FOFCNMZNLQLYHC-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322300;MM322300;C=C(CCCO)C(C)(C)O;QORUMDNFUGXECC-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322301;MM322301;NCC1(O)C=C(CF)CC1;BWEWIRGJQQBBEQ-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322302;MM322302;C=CC(=C)C=CC(=C)CC;WTSMQSVFYXDRJK-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322303;MM322303;CCC1=CC(O)(CO)CC1;YCBWXALYZMJIHL-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322304;MM322304;C=C(C=O)C=CC(=C)CC;ZCBGVACJXMGILS-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322305;MM322305;NCC1=CC(O)(CO)CC1;YHICXYIWCOUWSV-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322306;MM322306;C=C(C#N)C=CC(=C)CC;OGFDCDLFQGJGDV-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322307;MM322307;OCC1=CC(O)(CO)CC1;GLWNAMHXUBGBDT-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322308;MM322308;C=CC(=C)C=CC(=C)CN;SBBAHTBBTHZPBC-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322309;MM322309;NCC1=CC(O)(CF)CC1;JJFWKQDNUYJLPY-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322310;MM322310;C=C(C#N)C=CC(=C)CO;ASGITWHVZDRCET-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322311;MM322311;OCC1=CC(O)(CF)CC1;DXBFLTPPNHJHTB-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322312;MM322312;C=C(C=O)C=CC(=C)CF;RAXAGVICHFWDNK-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322313;MM322313;C=CC(=O)C=CC(=C)CC;SYZRQPAEDOECCC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322314;MM322314;CCC1=CC(F)(CC)CC1;GIPWAQWOZZTOLE-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322315;MM322315;C=C(C=CC(=O)C#N)CC;ZPUYIVLYCVPYJR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322316;MM322316;CCC1(F)C=C(CN)CC1;SDSUHZGWHJZETF-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322317;MM322317;C=CC(=O)C=CC(=C)CO;NZSKZUJUDUHXEZ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322318;MM322318;CCC1(F)C=C(CO)CC1;QICGATVRFORTQO-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322319;MM322319;C=CC(=O)C=CC(=C)CF;ISYBZZVJMQATTP-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322320;MM322320;CCC1(F)C=C(CF)CC1;MAEOECJMQDZUIR-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322321;MM322321;C=CC(=C)C=CC(=O)CC;VDQXLTGFZAWTIU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322322;MM322322;CCC1=CC(F)(CN)CC1;UGASYSFWFCWKTQ-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322323;MM322323;C=C(C=O)C=CC(=O)CC;QWKIXWCEVPBTFE-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322324;MM322324;NCC1=CC(F)(CN)CC1;OUGXRVKSZKUUJY-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322325;MM322325;C=C(C#N)C=CC(=O)CC;ZSLLJIAHMACYJY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322326;MM322326;NCC1(F)C=C(CO)CC1;IKQGNQZVIUQJLW-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322327;MM322327;C=C(C=O)C=CC(=O)CF;UBWIEHNECVQKBH-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322328;MM322328;CCC1=CC(F)(CO)CC1;CCUVNPNLXRHKGL-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322329;MM322329;C=CC(=O)C=CC(=O)CC;OPVWKAAKPYBBLX-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322330;MM322330;NCC1=CC(F)(CO)CC1;QYUMXKAYGIKGEQ-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322331;MM322331;CCC(=O)C=CC(=O)C=O;YGMUVGSOGISXBZ-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322332;MM322332;OCC1=CC(F)(CO)CC1;NJFQJIOMTKQSDA-UHFFFAOYSA-N;146.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322333;MM322333;C=CC(=O)C=CC(=O)CO;UMBKQIMLCWPYPY-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322334;MM322334;FCC1=CC(F)(CF)CC1;BBUAPPGPAWGWGC-UHFFFAOYSA-N;150.14;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322335;MM322335;N#CC(=O)C=CC(=O)CO;LZIWMHJWIMOOCV-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322336;MM322336;CCC1(C)C=C(OC)CC1;AURSZACDUXHBHS-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322337;MM322337;C=CC(=C)C=CC(=N)NC;GVWAPVILBCLDJL-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322338;MM322338;COC1=CC(C)(CN)CC1;XPENPEGILSXXLO-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322339;MM322339;COC1=CC(C)(CO)CC1;YMESUCROVPLXRG-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322340;MM322340;C=C(C#N)C=CC(=N)NC;LIVJYHGAITZNCQ-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322341;MM322341;COC1=CC(C)(CF)CC1;VWUZCXSBFJHIPR-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322342;MM322342;C=CC(=C)C=CC(=N)NO;QLEIBYZXVIBMBT-UHFFFAOYSA-N;138.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322343;MM322343;CCC1(N)C=C(OC)CC1;XWJDREFEHDTTII-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322344;MM322344;C=CC(=O)C=CC(N)=NC;VXNYSXBHJPMSDX-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322345;MM322345;COC1=CC(N)(CN)CC1;IZZMNJIZRMTJRA-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322346;MM322346;C=C(C#CC=O)C(C)(C)O;CHGNFOZVYXGXHM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322347;MM322347;COC1=CC(N)(CF)CC1;DCGIBGFLDDPACJ-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322348;MM322348;C=C(CC)C(C)(C)C(N)=O;KVPRDUKTMSWCFT-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322349;MM322349;CCC1(O)C=C(OC)CC1;NLSHERPEIDGMDA-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322350;MM322350;C=CC(=C)C=CC(=O)NO;NWGBDTXBYKIBTA-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322351;MM322351;COC1=CC(O)(CN)CC1;MZIVWPNGFMKLEN-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322352;MM322352;C=CC(=O)C=CC(=C)OC;PHJAIHFVLRHMBE-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322353;MM322353;COC1=CC(O)(CO)CC1;CYMMFVLSIDPYPB-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322354;MM322354;COC(=O)C=CC(=O)C=O;LHUUOSNPJWDMAZ-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322355;MM322355;COC1=CC(O)(CF)CC1;VQZDINZWADMOJQ-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322356;MM322356;C#CC(=C)C=CC(=C)CC;DYXTZSWVHQENGF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322357;MM322357;CCC1(F)C=C(OC)CC1;DCRDERBDQPOOTR-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322358;MM322358;C#CC(=C)C=CC(=C)CN;AWXMIJJHPFWMMV-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322359;MM322359;COC1=CC(F)(CN)CC1;CXOYMJUATKTQCF-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322360;MM322360;C#CC(=C)C=CC(=C)CO;LRAXQIKXTROWMQ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322361;MM322361;COC1=CC(F)(CO)CC1;PDEHICDIEGWTIP-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322362;MM322362;C#CC(=C)C=CC(=C)CF;ADJKTFCQCRSOMO-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322363;MM322363;CCC1=CC(C)(NC)CC1;RYFMEZIKEQBMOG-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322364;MM322364;C#CC(=O)C=CC(=C)CC;ZCUGCNHUVBESHZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322365;MM322365;CNC1(C)C=C(CN)CC1;ODISRXQYHUIZOD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322366;MM322366;C#CC(=C)C=CC(=O)CC;OAHYDCRFYLHDSX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322367;MM322367;CNC1(C)C=C(CO)CC1;BNDOBZOFMZEZLV-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322368;MM322368;C#CC(=C)C=CC(=O)CO;WOBLXWDTWDIKOZ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322369;MM322369;CNC1(C)C=C(CF)CC1;LQVXZKBJOPHMBE-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322370;MM322370;C#CC(=C)C=CC(=O)CF;PCVIFVRJTYKZBU-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322371;MM322371;CNC1(C)C=C(OC)CC1;SHUDVKACCOSCRP-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322372;MM322372;C#CC(=C)C=CC(=N)NC;UAEUPDXIANWDAW-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322373;MM322373;CCC1=CC(C)(OC)CC1;ZDQTULNYWISHCL-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322374;MM322374;C#CC(=C)C=CC(=N)NN;YGTUDKSLSAJPIE-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322375;MM322375;COC1(C)C=C(CN)CC1;QXGBXYWVUADJOC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322376;MM322376;C#CC(=C)C=CC(=N)NO;NWFPIBFDSYPPGT-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322377;MM322377;COC1(C)C=C(CO)CC1;HZSQFLSKBBDMLM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322378;MM322378;CC=C(C)C(C)(C)C(N)=O;RREWPROFDQGUJR-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322379;MM322379;COC1(C)C=C(CF)CC1;LIQZFXJUEHJXLE-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322380;MM322380;C=C(CCCO)CC(C)O;NBHCSQXHCOMRBZ-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322381;MM322381;COC1=CC(C)(OC)CC1;QBBDLVVTYIGRJU-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322382;MM322382;C#CC(=O)C=CC(=O)NC;MXAMGXSTQSLYGH-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322383;MM322383;CCC1=CC(C)(CC)CO1;QZPYBYUKMQICCB-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322384;MM322384;C=CC(=C)C=CC(=C)C=C;KCXCKAMZFSNUDG-UHFFFAOYSA-N;132.21;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322385;MM322385;CCC1(C)C=C(CN)OC1;FMHLERWMJFXBBM-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322386;MM322386;C=CC(=C)C=CC(=C)C#N;LUDQBYZXMZJKMQ-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322387;MM322387;C=C(C#N)C=CC(=C)C=O;GUUVBWYHGQFQSN-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322388;MM322388;CCC1(C)C=C(CO)OC1;BUPCILXIHLFAHF-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322389;MM322389;C=C(C#N)C=CC(=C)C#N;BNUNHHLVQOVAQU-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322390;MM322390;CCC1(C)C=C(CF)OC1;NVKMFVAENJRNMO-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322391;MM322391;C=CC(=C)C=CC(=O)C=C;KKHVNGYAOQXFIH-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322392;MM322392;CCC1=CC(C)(CN)CO1;YXHZBJIZKGPGKZ-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322393;MM322393;C=CC(=C)C=CC(=O)C#N;MIJJBKDUNUODMM-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322394;MM322394;CC1(CN)C=C(CN)OC1;JYNCFEARNYDODF-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322395;MM322395;C=CC(=O)C=CC(=C)C=O;CNVGBKIFTFHBDW-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322396;MM322396;CC1(CN)C=C(CO)OC1;VDNIWHLRKCEXBQ-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322397;MM322397;C=CC(=O)C=CC(=C)C#N;YPZLHFZVHXPONL-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322398;MM322398;CC1(CN)C=C(CF)OC1;DHFCGRKZYQMISU-UHFFFAOYSA-N;145.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322399;MM322399;C=C(C=O)C=CC(=O)C=O;PKFIYPIWPBWPPA-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322400;MM322400;CCC1=CC(C)(CO)CO1;BQFYJVZJCYVUQK-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322401;MM322401;C=C(C#N)C=CC(=O)C#N;OCIPPOMSKPGKLP-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322402;MM322402;CC1(CO)C=C(CF)OC1;AANLRNVMYALLEG-UHFFFAOYSA-N;146.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322403;MM322403;C=CC(=O)C=CC(=O)C=C;ODBDXKPHRXKFCM-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322404;MM322404;CCC1=CC(C)(CF)CO1;ARLVBTPPCKXROX-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322405;MM322405;C#CC(=C)C=CC(=C)C=C;RDMGKUBTQWLADX-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322406;MM322406;CC1(CF)C=C(CN)OC1;AABFYAQBKFSAMO-UHFFFAOYSA-N;145.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322407;MM322407;C#CC(=C)C=CC(=C)C=O;GDUSCYFCIHKHMR-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322408;MM322408;CCC1=CC(N)(CC)CO1;QQPGXOVUTSMGHI-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322409;MM322409;C#CC(=C)C=CC(=C)C#N;AFEQIRRXFDTZFU-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322410;MM322410;CCC1(N)C=C(CN)OC1;BWGVQOGKEXTOEL-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322411;MM322411;C#CC(=O)C=CC(=C)C=O;FSQZCSBSGXZRON-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322412;MM322412;CCC1(N)C=C(CO)OC1;JZBUYSCGNMWJSW-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322413;MM322413;C#CC(=C)C=CC(=O)C=C;JSULEHHKOAKHIX-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322414;MM322414;CCC1(N)C=C(CF)OC1;QVUWIRXIOLSPBE-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322415;MM322415;C#CC(=C)C=CC(=O)C=O;TWNJXNUEXMHGQF-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322416;MM322416;CCC1=CC(N)(CN)CO1;GTZOQADJKPBGDK-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322417;MM322417;C#CC(=C)C=CC(=O)C#N;HJMAXIALUPNPMN-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322418;MM322418;C#CC(=O)C=CC(=O)C=C;HFKXCQPVMCGYBG-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322419;MM322419;NCC1=CC(N)(CN)CO1;RFLCFOVOAQSLNL-UHFFFAOYSA-N;143.19;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322420;MM322420;C#CC(=C)C=CC(=C)C#C;RGTRINDXKBGVLR-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322421;MM322421;NCC1(N)C=C(CO)OC1;IXAAKUAFNHUHME-UHFFFAOYSA-N;144.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322422;MM322422;CC=C(C)C=CC(C)CC;YAMCYIHQYJKSNP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322423;MM322423;NCC1(N)C=C(CF)OC1;IMTHDAUNONGKQJ-UHFFFAOYSA-N;146.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322424;MM322424;CCC(C)C=CC(C)=CF;HIVYVAMRMLMWSA-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322425;MM322425;CCC1=CC(N)(CO)CO1;SCMLEHCVFDNAOY-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322426;MM322426;CC(C=CC(C)CN)=CF;AWBQJDCYRBJKNJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322427;MM322427;NCC1=CC(N)(CO)CO1;HJGJPJBKVVOCMG-UHFFFAOYSA-N;144.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322428;MM322428;C=C(CCCO)CC(F)F;STKUSOAEGOTHBX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322429;MM322429;NC1(CO)C=C(CO)OC1;CWVNZPIKPIGXCP-UHFFFAOYSA-N;145.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322430;MM322430;CC=C(C)C=CC(C)CF;KOWOTNMFTIOQFA-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322431;MM322431;NC1(CO)C=C(CF)OC1;ICVKARVTFYHEIR-UHFFFAOYSA-N;147.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322432;MM322432;CC(C=CC(C)CF)=CF;FOBOGYLUXYZTRM-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322433;MM322433;NCC1=CC(N)(CF)CO1;GTWDYGITMNVBFQ-UHFFFAOYSA-N;146.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322434;MM322434;CC=C(F)C=CC(C)CC;BAZIFAVSWRVLJK-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322435;MM322435;CCC1=CC(O)(CC)CO1;IFKYAWPLVCBNFY-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322436;MM322436;CCC(C)C=CC(F)=CF;ZJCMYPUFDWRUKW-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322437;MM322437;CCC1(O)C=C(CN)OC1;ACHHNRLRDYSMEV-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322438;MM322438;CC=C(F)C=CC(C)CN;KWFQIVGTAMOCHL-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322439;MM322439;CCC1(O)C=C(CO)OC1;DBTQMDVAFRFOPX-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322440;MM322440;CC(C=CC(F)=CF)CN;VYKMFTVYRDSQBC-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322441;MM322441;CCC1(O)C=C(CF)OC1;YCDOHVGBCKKSBT-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322442;MM322442;CC=C(C)C=CC(N)CC;HTHZDBHIONABEP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322443;MM322443;CCC1=CC(O)(CN)CO1;WUBPJZYLWAAPGN-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322444;MM322444;CCC(N)C=CC(C)=CF;KPDQZCIVOZFCQK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322445;MM322445;NCC1=CC(O)(CN)CO1;OEKPGLAWQWVNDB-UHFFFAOYSA-N;144.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322446;MM322446;CC=C(C)C=CC(N)CN;WEGRVSNUTXCOMF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322447;MM322447;NCC1(O)C=C(CF)OC1;GYFLDMXEIFZPTN-UHFFFAOYSA-N;147.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322448;MM322448;CC(C=CC(N)CN)=CF;WGUOPZNJXKWZND-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322449;MM322449;C=C(F)CC(=C)CCCO;DSANOVDFIPADMQ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322450;MM322450;NCC1=CC(O)(CO)CO1;WFHUUWXNUJZLKB-UHFFFAOYSA-N;145.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322451;MM322451;CC=C(C)C=CC(O)CN;ANGUMAWZFVDEFV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322452;MM322452;OCC1=CC(O)(CO)CO1;GPXGMFBVMPIJNR-UHFFFAOYSA-N;146.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322453;MM322453;CC(C=CC(O)CO)=CF;MSUDZTXUWZKZII-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322454;MM322454;OCC1(O)C=C(CF)OC1;PLBNKXKWTQVBMF-UHFFFAOYSA-N;148.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322455;MM322455;CC=C(C)C=CC(O)CF;QPEXEKSPUQKART-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322456;MM322456;NCC1=CC(O)(CF)CO1;WOHPHMYZJOZLBA-UHFFFAOYSA-N;147.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322457;MM322457;CC(C=CC(O)CF)=CF;KPXMSQDBNASFKO-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322458;MM322458;OCC1=CC(O)(CF)CO1;LGUZLTLCWWSTOM-UHFFFAOYSA-N;148.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322459;MM322459;CC=C(F)C=CC(O)CF;UYJKMVVMNXHCQD-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322460;MM322460;OC1(CF)C=C(CF)OC1;IVUNRKKPIQZFOE-UHFFFAOYSA-N;150.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322461;MM322461;CCC(F)C=CC(C)=CF;BWEWZJUKWPKOSZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322462;MM322462;CCC1=CC(F)(CC)CO1;BBCLSUDQNRRQFH-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322463;MM322463;CC(C=CC(F)CN)=CF;GZJUKDSXFFNTND-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322464;MM322464;CCC1(F)C=C(CN)OC1;JPGYSKMSSYRITQ-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322465;MM322465;CC=C(C)C=CC(F)CF;ASMSFLCNNPFADY-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322466;MM322466;CCC1(F)C=C(CO)OC1;NEVGWFPVYAZFAL-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322467;MM322467;CCC(C)C=CC(C)=NN;JHDLEGOYYXRCPX-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322468;MM322468;CCC1(F)C=C(CF)OC1;XZJBFVDZPZRZRT-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322469;MM322469;CC(=CC(C)F)CCCO;BIJITWYEJDWYJZ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322470;MM322470;CCC1=CC(F)(CN)CO1;MGKHZHMPZOKUNJ-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322471;MM322471;CC(=CC(F)F)CCCO;FWOIZXDCGXAIFS-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322472;MM322472;NCC1=CC(F)(CN)CO1;RDKCOPPZQUCNDE-UHFFFAOYSA-N;146.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322473;MM322473;CC(C=CC(C)CF)=NN;JYXLBVOEBOKKND-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322474;MM322474;NCC1(F)C=C(CF)OC1;IUEAGKRDPCBOGJ-UHFFFAOYSA-N;149.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322475;MM322475;CCC(N)C=CC(C)=NO;XFYRAWAEUDOOMT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322476;MM322476;CCC1=CC(F)(CO)CO1;FIWPKXQMOJDHTN-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322477;MM322477;CC(C=CC(N)CN)=NO;AFMRPHDMPQLOPA-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322478;MM322478;CCC(F)C=CC(C)=NO;KHHGFZSLBDRHSM-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322479;MM322479;NCC1=CC(F)(CO)CO1;KVRBFUKWBBQVKI-UHFFFAOYSA-N;147.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322480;MM322480;CC=C(C)C=CC(C)NC;SCKUIIJPMUXARS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322481;MM322481;OCC1=CC(F)(CO)CO1;ACVSGNLHZVYOLG-UHFFFAOYSA-N;148.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322482;MM322482;CNC(C)C=CC(F)=CF;PTRJRGTUVYMTBE-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322483;MM322483;OCC1(F)C=C(CF)OC1;KHOMZKYEFOSFES-UHFFFAOYSA-N;150.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322484;MM322484;COC(C)C=CC(C)=CF;ZJFWKNSVWSEDNU-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322485;MM322485;CCC1=CC(C)(NC)CO1;IIEFABNQJPPISA-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322486;MM322486;C=CC=CC(C)=CC(N)=O;CVXOIGIJVRWVKZ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322487;MM322487;CNC1(C)C=C(CN)OC1;FWKLWKREHUQOCO-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322488;MM322488;CC1C(C)C1(C)CC(N)=O;DHELOEUFMGCZBQ-UHFFFAOYSA-N;141.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322489;MM322489;CNC1(C)C=C(CO)OC1;QAUCRDLMCNUXMX-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322490;MM322490;CN=C(C)N=CN(C)OC;ARPRAYISSRIWNL-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322491;MM322491;CNC1(C)C=C(CF)OC1;HTXZKGHAFPAAEA-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322492;MM322492;C=CC(C)(CCC)C(N)=O;PTFKZTDHLCDFTN-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322493;MM322493;CCC1=CC(C)(OC)CO1;PNEOLCVRFXOPBN-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322494;MM322494;CCN(C)N=CC(C)=CF;WCUCFYMFHHHJAW-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322495;MM322495;COC1(C)C=C(CN)OC1;QJSYZIAYDHNMFW-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322496;MM322496;CCN(C)N=CC(C)=NO;URLGGVLHJFWZRC-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322497;MM322497;COC1(C)C=C(CO)OC1;NOHRCPAEYCCZMS-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322498;MM322498;C=CC(C)C=CC(C)=CC;MEBVIMQAQGHSFG-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322499;MM322499;COC1(C)C=C(CF)OC1;QQLMJASFIWZGIH-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322500;MM322500;C=CC(C)C=CC(C)=CF;QGJIBCNAALFPFC-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322501;MM322501;CCC1=CC(C)(CC)NC1;DLKBGPAAWYXSCI-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322502;MM322502;CC=C(C)C=CC(C)C=O;UEHXWJAPIITHAR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322503;MM322503;CCC1(C)C=C(CN)CN1;IUZGTHTVNYZFEM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322504;MM322504;CC=C(C)C=CC(C)C#N;OJMQDJSMWGGXGS-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322505;MM322505;CCC1(C)C=C(CO)CN1;JUKQSNCVOCSQMQ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322506;MM322506;CC(C=CC(C)C=O)=CF;HYVZKBLYFKMJKJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322507;MM322507;C=CC(N)C=CC(C)=CC;AGTHBKUYHKBXPB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322508;MM322508;CCC1(C)C=C(CF)CN1;OTGQGINDZCBZHM-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322509;MM322509;C=CC(O)C=CC(C)=CC;LLSMJQXBOSRAME-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322510;MM322510;CCC1=CC(C)(CN)NC1;RNWXAWVZGVZTJG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322511;MM322511;C=CC(O)C=CC(C)=CF;YZXPQPDKGOJVHE-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322512;MM322512;CC1(CN)C=C(CN)CN1;RWIQDOJMZDHGGB-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322513;MM322513;CC=C(C)C=CC(O)C#N;DGAIGPOGSPSBCB-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322514;MM322514;CC1(CN)C=C(CO)CN1;GRDNAGDHRNLGML-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322515;MM322515;C=CC(O)C=CC(F)=CC;LOQNFZNJMUFRQI-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322516;MM322516;CC1(CN)C=C(CF)CN1;CGRDUBKWOOGDAC-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322517;MM322517;C=CC(O)C=CC(F)=CF;RKHOBFZKWDOSBL-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322518;MM322518;CCC1=CC(C)(CO)NC1;DINLYKZHFOBXFG-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322519;MM322519;N#CC(O)C=CC(F)=CF;CSKQFPVZJMUTNE-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322520;MM322520;CC1(CO)C=C(CO)CN1;PVKWBXFJKZPDAR-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322521;MM322521;C=CC(F)C=CC(C)=CC;NDNKDSXSQBROAX-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322522;MM322522;CC1(CO)C=C(CF)CN1;DZQKDTAFBBUNJD-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322523;MM322523;CC=C(C)C=CC(F)C=O;SFOPPQHTLHCDGQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322524;MM322524;CC1(CF)C=C(CN)CN1;ZIVSZYFWTPSFMG-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322525;MM322525;CC(C=CC(F)C=O)=CF;WFKRFHMFHQHFEQ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322526;MM322526;CC1(CF)C=C(CO)CN1;KEJRRDICFBVWTR-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322527;MM322527;C=CC(F)C=CC(F)=CC;ZXDCEVFPXGWNDX-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322528;MM322528;CC1(CF)C=C(CF)CN1;PNVQNBNVHMADEB-UHFFFAOYSA-N;147.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322529;MM322529;C=CC(C)C=CC(C)=NN;YDBFWWUTJLILCN-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322530;MM322530;CCC1(C)C=C(OC)CN1;KQOQPBVFZYZXJE-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322531;MM322531;C=CC(C)(C(N)=O)C(C)C;VQENOCPGGYRAKE-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322532;MM322532;COC1=CC(C)(CN)NC1;OPUDYXJANHMEGH-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322533;MM322533;CC(C=CC(C)C#N)=NO;HHVHGJZMTYCNHT-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322534;MM322534;COC1=CC(C)(CO)NC1;ZWWYIBABHCPEGZ-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322535;MM322535;C=C(C)C(C)(CC)C(N)=O;QFTUSEKXHDVACT-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322536;MM322536;CCC1=CC(C)(CC)OC1;LVVHWYKIADDZFM-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322537;MM322537;CC(C=CC(O)C#N)=NO;HQDYSHUIVLQTHA-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322538;MM322538;CCC1(C)C=C(CN)CO1;GBWZSZYAGVAWQM-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322539;MM322539;CC=C(C)C=CN(C)C=N;GFXIHTYAZXYIFG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322540;MM322540;CCC1(C)C=C(CO)CO1;MGIMNTVOCVUTEG-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322541;MM322541;CC=C(C)C=CN(C)C=O;NLBJKGLOTGBANZ-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322542;MM322542;CCC1(C)C=C(CF)CO1;ZKWMWEQPEXCUCI-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322543;MM322543;CN(C=N)C=CC(F)=CF;GGWJYFDTTPGUFV-UHFFFAOYSA-N;146.14;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322544;MM322544;CCC1=CC(C)(CN)OC1;VSFCYFIVZJIGPQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322545;MM322545;CN(C=O)C=CC(F)=CF;ILRILRUPIIGLTM-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322546;MM322546;CC1(CN)C=C(CN)CO1;ZAUWFERZYHTZTH-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322547;MM322547;CC=C(C)C=CN(N)C=N;GWUAGUKHXVOJAW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322548;MM322548;CC1(CN)C=C(CO)CO1;JHGOQBHFNQXUTL-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322549;MM322549;CC(C=CN(N)C=N)=CF;VXDCLDGFRCVDLG-UHFFFAOYSA-N;143.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322550;MM322550;CC1(CN)C=C(CF)CO1;ZOHGJLLEKHSRDV-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322551;MM322551;CC=C(C)C=CN(N)C=O;UKLRUIUITMTAMT-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322552;MM322552;CCC1=CC(C)(CF)OC1;BYMRQTWPFWMXJW-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322553;MM322553;NN(C=O)C=CC(F)=CF;KUYJLATUQRERBN-UHFFFAOYSA-N;148.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322554;MM322554;CC1(CF)C=C(CN)CO1;XNUULFGAXNYEMF-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322555;MM322555;CC=C(C)C=CN(O)C=O;SDENOJXSAMAWAI-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322556;MM322556;CC1(CF)C=C(CO)CO1;RETIHGLGIUAVEM-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322557;MM322557;O=CN(O)C=CC(F)=CF;IQTSCEWTNITBJE-UHFFFAOYSA-N;149.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322558;MM322558;CCC1(C)C=C(OC)CO1;TUVAWKJCBABBPC-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322559;MM322559;CC(C=CN(C)C=N)=NO;ZDONXERBZPSWAP-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322560;MM322560;COC1=CC(C)(CN)OC1;JDFNFTSUMRCFNT-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322561;MM322561;CC(C=CN(N)C=N)=NN;UKLQVYIGUKONNR-UHFFFAOYSA-N;141.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322562;MM322562;COC1=CC(C)(CO)OC1;GYPGZVCHTGDJSE-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322563;MM322563;CC(C=CN(N)C=N)=NO;KGDIFPGDBNPFMN-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322564;MM322564;COC1=CC(C)(CF)OC1;AFXZFLNXQQFJGY-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322565;MM322565;CC(C=CN(N)C=O)=NN;PNRARRLKXKCQQT-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322566;MM322566;CCC1=CC(C)(OC)OC1;BFVXPPAPLJHOOK-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322567;MM322567;CC1(C)NC1CC(=O)C#N;JWTJKUJEOQVFRC-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322568;MM322568;COC1(C)C=C(CN)CO1;KUDXDSGSRKCRLB-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322569;MM322569;COC(=N)NN=CC(F)F;KABVZIHWPJSSAC-UHFFFAOYSA-N;151.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322570;MM322570;COC1(C)C=C(CO)CO1;NDSUCMVARYIEBV-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322571;MM322571;CC(N=CN(C)C=O)=NO;CZMIODVNQPVTML-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322572;MM322572;COC1=CC(C)(OC)OC1;DECBFGWYJRWNBS-UHFFFAOYSA-N;144.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322573;MM322573;CN=C(C)N=CN(N)C=O;MWIFMNNPTGBOEU-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322574;MM322574;CCC1=NC(C)(CO)CN1;ZBFNWOASGOLPTC-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322575;MM322575;C=NNC(=N)CC(=O)OC;BYQXOPDVXYSVTL-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322576;MM322576;CCC1(C)CNC(NC)=N1;XSUORMWNOLDPQI-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322577;MM322577;CC(N=CN(N)C=O)=NO;NHHLSBDUFKKENT-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322578;MM322578;CCC1(C)CNC(NN)=N1;JDNPDZUAYHWLEA-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322579;MM322579;CCC1(C)CC1CC(N)=O;SLOKWTMSMHUDCF-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322580;MM322580;CCC1(C)CNC(NO)=N1;XYACCCHOQOOJRH-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322581;MM322581;C=CCC(C=C)=CC(N)=O;SYYVICGUCCAWOU-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322582;MM322582;CNC1=NC(C)(CN)CN1;HMAXHALCMLYFSJ-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322583;MM322583;CCC1(CC(N)=O)CC1C;NGWIGLXKAJOXIH-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322584;MM322584;CC1(CN)CNC(NO)=N1;DDKNGTHPRNNKSZ-UHFFFAOYSA-N;144.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322585;MM322585;C=NN(C)C=NC(C)=NO;CYYYXFUKYAUCAI-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322586;MM322586;CNC1=NC(C)(CO)CN1;AWRBOUIEGHRSAT-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322587;MM322587;CC(C=N)=CNN(C)C=N;WWYJYFUVZCXTPV-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322588;MM322588;CNC1=NC(C)(CF)CN1;IAZJBFBLTHXQHF-UHFFFAOYSA-N;145.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322589;MM322589;CC(C=NN(C)C=N)=CF;RYHOWBXYMQBGIR-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322590;MM322590;CC1(CF)CNC(NN)=N1;JGBOBJXRJJUIFG-UHFFFAOYSA-N;146.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322591;MM322591;CC=C(C)C=NN(C)C=O;GPBGWPTVSLZYCX-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322592;MM322592;CC1(CF)CNC(NO)=N1;UJIATKSNWPLROC-UHFFFAOYSA-N;147.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322593;MM322593;CN(C=N)N=CC(F)=CF;ZZWVERMSVHZEFZ-UHFFFAOYSA-N;147.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322594;MM322594;C#CC=CCCCO;HUHQDNTVTWPWFK-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322595;MM322595;CC=CC(O)CC#CCF;LSEUNUQGPSQXRO-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322596;MM322596;COC1=NC(C)(CF)CN1;DBMAHQCJIMUXIV-UHFFFAOYSA-N;146.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322597;MM322597;CN(C=O)N=CC(F)=CF;MLLWOZDOEKHFFG-UHFFFAOYSA-N;148.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322598;MM322598;CCC1(C)COC(NN)=N1;LECOJSLANIMFIT-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322599;MM322599;C#CC(C)C=CC(C)=CC;LIBKJSLCDZWSFO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322600;MM322600;C=C(CCC)CC(N)=O;MWYVSCVNTGPPCD-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322601;MM322601;C#CC(C)C=CC(F)=CC;LTLIURHEQNUDTR-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322602;MM322602;CCC=C(C)CC(N)=O;JEIROEQAHGPJGW-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322603;MM322603;C#CC(N)C=CC(C)=CC;VJEFQMXKFJPJTK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322604;MM322604;C=CC1=CC(C)(CC)CC1;NTKHONMAUYPUAE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322605;MM322605;C#CC(N)C=CC(C)=CF;WZFKFKPNQXSSNC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322606;MM322606;CCC1(C)C=C(C=O)CC1;TZBKKMUCDSAQSP-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322607;MM322607;C#CC(N)C=CC(F)=CC;NLGWMFVCXWFKED-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322608;MM322608;CCC1(C)C=C(C#N)CC1;YWEDAPGTDRYFSP-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322609;MM322609;C#CC(O)C=CC(C)=CC;UPNWVQUBGRVLKV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322610;MM322610;C=CC1=CC(C)(CN)CC1;KRLRYVLJGXPWKJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC3";;;;;;;2.87;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322611;MM322611;C#CC(O)C=CC(C)=CF;GZYSLDOSQHHXFY-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322612;MM322612;C=CC(O)C=C(C)CC;XEEJVNVORVRPSI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322613;MM322613;C#CC(F)C=CC(C)=CF;LIKFXUBKZJFKKT-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322614;MM322614;CCC(C)=CCC(N)=O;DDOUDHQLGGKOJS-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322615;MM322615;C=C(C=CC(C)=CC)CC;WVXOIAQKHGTFJY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322616;MM322616;CC=C(CC)CC(N)=O;DACRQCMMNRIKAB-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322617;MM322617;C=C(C=CC(C)=CF)CC;GFIMIUJCSYFXBX-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322618;MM322618;C=CC1=CC(C)(CF)CC1;CZJXZVYTQBVHEY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322619;MM322619;C=C(C=CC(C)=CC)CN;JRVRCTUYMSEICE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322620;MM322620;CC1(CF)C=C(C=O)CC1;BBSNLKGNIGAJMD-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322621;MM322621;C=C(C=CC(C)=CF)CN;VDYXPORDMRGHEE-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322622;MM322622;CC1(CF)C=C(C#N)CC1;MYYBSQHNBUQPBD-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322623;MM322623;C=C(C=CC(C)=CC)CO;YFOLXSFTZXHZOT-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322624;MM322624;C=CC1=CC(N)(CC)CC1;HAUTWIKRXRVVRF-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322625;MM322625;C=C(C=CC(C)=CC)CF;PACXSIBOZJQRPM-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322626;MM322626;C=CC1=CC(N)(CN)CC1;DGBULAKPDHWEBO-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322627;MM322627;C=C(C=CC(F)=CF)CC;VJWDHEVSPIPXSO-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322628;MM322628;C=CC1=CC(N)(CO)CC1;XIXDAQIJENSXFJ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322629;MM322629;CC(O)CC#CCCF;OIFLLAUFADVXMA-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322630;MM322630;CC=C(C)C=CC(=O)CC;QRKLWKHKAYBXKK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322631;MM322631;CCC1(O)C=C(C=O)CC1;SROAOJNICDNHGC-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322632;MM322632;CC=C(C)C=CC(=O)CO;FJJHPWGZQRZUCR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322633;MM322633;CCC1(O)C=C(C#N)CC1;BNBXQVRCCHKYGB-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322634;MM322634;CC=C(C)C=CC(=O)CF;VVHJJRPDNQQTRD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322635;MM322635;C=CC1=CC(O)(CN)CC1;YRABTSVQKCCLSM-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322636;MM322636;O=C(C=CC(F)=CF)CO;DVVHXRHLIPEEHG-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322637;MM322637;C=CC1=CC(O)(CO)CC1;RBVGQJXILCXQMJ-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322638;MM322638;C=C(C=CC(C)=NN)CC;HZGCAJHOSYQZNI-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322639;MM322639;N#CC1=CC(O)(CO)CC1;KCMFPBFFEJJZPP-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322640;MM322640;C=C(C=CC(C)=NO)CO;TVJJLRRNCWIOSH-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322641;MM322641;C=CC1=CC(O)(CF)CC1;CPLAVXBILSLDBJ-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322642;MM322642;C=C(C=CC(C)=NO)CF;TWICGVMULLXPPG-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322643;MM322643;O=CC1=CC(O)(CF)CC1;SDCWCLLDBOGCFZ-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322644;MM322644;CCC(=O)C=CC(C)=NO;BDLNBUGAMYWORL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322645;MM322645;C=CC1=CC(F)(CC)CC1;LUCSFIGMAIQGEY-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322646;MM322646;CNC(=N)C=CC(F)=CF;YQLDKIVEQIRAQR-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322647;MM322647;CCC1(F)C=C(C=O)CC1;OBIDKXBKOZMXBQ-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322648;MM322648;CC=C(C)C=CC(=O)NO;OBNFGSODFPDKSE-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322649;MM322649;CCC1(F)C=C(C#N)CC1;LNPTWCFZKLABHO-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322650;MM322650;CC(C=CC(=O)NO)=CF;SDBZFPRIQOYLHL-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322651;MM322651;C=CC1=CC(F)(CN)CC1;FUPRFBORRDVMOO-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322652;MM322652;CC(C=CC(=N)NN)=NN;MZUFQOOQFZDWQI-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322653;MM322653;O=CC1=CC(F)(CO)CC1;ZFHNURXSAJEECX-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322654;MM322654;CC(C=CC(=N)NN)=NO;XAMFJZYHHGRYIR-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322655;MM322655;N#CC1=CC(F)(CO)CC1;XDSJSQBIQGZVII-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322656;MM322656;CC(C=CC(=N)NO)=NN;JENDCRNJLYIZPV-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322657;MM322657;C=CC1=CC(C)(NC)CC1;GTBKVXKZYRIUSG-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322658;MM322658;CNC1(C)C=C(C=O)CC1;IAJQQLXLPRUFOL-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322659;MM322659;CC(C=CC(=N)NO)=NO;KQUVNVQRBBIMKN-UHFFFAOYSA-N;143.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322660;MM322660;CNC1(C)C=C(C#N)CC1;WWZINUYEJGCULB-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322661;MM322661;C=C(C=CC(C)=NO)OC;BWAOGSOSJYWREA-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322662;MM322662;C=CC1=CC(C)(OC)CC1;ATQANZIDCTUMII-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322663;MM322663;COC(=O)C=CC(C)=NO;FGPZSQHDAWSVRA-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322664;MM322664;COC1(C)C=C(C=O)CC1;DKIDHWYYGUIWGG-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322665;MM322665;C=CC(=C)C=CC(C)=CC;HYLBDGMSBKQWKF-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322666;MM322666;COC1(C)C=C(C#N)CC1;DPMZDKNJAVUSNC-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322667;MM322667;C=CC(=C)C=CC(C)=CF;SVBWJBGEZMHQSU-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322668;MM322668;C=CC1=CC(C)(CC)CO1;YYTRYLLQXROUOJ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322669;MM322669;C=C(C=O)C=CC(C)=CC;DGYLSWWZZFLXOV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322670;MM322670;CCC1(C)C=C(C=O)OC1;AEUFUBWAFWJSNM-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322671;MM322671;C=C(C#N)C=CC(C)=CC;GHHRVNSZXBPULI-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322672;MM322672;CCC1(C)C=C(C#N)OC1;JOTQCJFBAYWYMH-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322673;MM322673;C=C(C=O)C=CC(C)=CF;ZWGJTYHPLURPRS-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322674;MM322674;C=CC1=CC(C)(CN)CO1;BYNKSGBOIRFHPT-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322675;MM322675;C=CC(=O)C=CC(C)=CC;UDOOLCZHBYHOEZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322676;MM322676;C=CC1=CC(C)(CO)CO1;ADFLKYYBAGDJCC-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322677;MM322677;C=CC(=O)C=CC(C)=CF;PKNANSOGJBXGMX-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322678;MM322678;CC1(CO)C=C(C=O)OC1;VRGOMXNMXZDKND-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322679;MM322679;CC=C(C)C=CC(=O)C=O;OMUDSIMHCPQZQV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322680;MM322680;CC1(CO)C=C(C#N)OC1;IPKNDLNEONIFFN-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322681;MM322681;CC=C(C)C=CC(=O)C#N;BAHGJWNWAUCYKQ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322682;MM322682;CC1(CF)C=C(C=O)OC1;VWUOFXWPKJCEMD-UHFFFAOYSA-N;144.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322683;MM322683;CC1(CF)C=C(C#N)OC1;RTEWQWUARISOMW-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322684;MM322684;CC(C=CC(=O)C#N)=CF;FCNASRYIFAFXSL-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322685;MM322685;C=CC1=CC(N)(CC)CO1;NXHZDKJLQYAPMJ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322686;MM322686;C=CC(=O)C=CC(F)=CF;GWMBMQMSIDGMBW-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322687;MM322687;C=CC1=CC(N)(CN)CO1;YANZNTFRJOJWCN-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322688;MM322688;CC=C(F)C=CC(=O)C=O;JCQWLVLPAJJOOM-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322689;MM322689;C=CC1=CC(O)(CC)CO1;SLMPYYAZHGCVAS-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322690;MM322690;O=CC(=O)C=CC(F)=CF;DZVAWFOXGRIBOX-UHFFFAOYSA-N;146.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322691;MM322691;CCC1(O)C=C(C=O)OC1;GSXPHGDDJHIVNJ-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322692;MM322692;C=CC(=C)C=CC(C)=NN;VOVWVCRNIYSJCI-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322693;MM322693;CCC1(O)C=C(C#N)OC1;SHLJMCADBJEBLW-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322694;MM322694;C=CC=C(C(N)=O)C(C)C;YCAMWECDPGTIFV-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322695;MM322695;C=CC1=CC(O)(CN)CO1;GMCSIIONAPPKQM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322696;MM322696;C=CC(=O)C=CC(C)=NO;SBBREMUXIUPEMC-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322697;MM322697;C=CC1=CC(F)(CC)CO1;XEGSADLBVAKLIF-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322698;MM322698;C#CC(=C)C=CC(C)=CC;RJLVKWYWJBFEMW-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322699;MM322699;CCC1(F)C=C(C=O)OC1;KXUTWGZPNKNQGP-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322700;MM322700;C#CC(=C)C=CC(C)=CF;SUKFBTDNTAGSEE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322701;MM322701;CCC1(F)C=C(C#N)OC1;CVQHCSPVXFXKMJ-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322702;MM322702;C#CC(=C)C=CC(F)=CF;HJSJADMJPQJFPZ-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322703;MM322703;C=CC1=CC(F)(CN)CO1;CRUJEZFBGIMVSD-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322704;MM322704;C#CC(=O)C=CC(C)=CC;HYOIOOFTIVKQIU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322705;MM322705;C=CC1=CC(F)(CO)CO1;FYEHOOURFNOEJN-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322706;MM322706;C#CC(=C)C=CC(C)=NN;IOZXPLDRPNALGU-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322707;MM322707;N#CC1=CC(F)(CO)CO1;VUBFPCAUKDBUHI-UHFFFAOYSA-N;143.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322708;MM322708;CC=C(C)C=CC(C)=CC;ADVOAEZXBNJLLD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322709;MM322709;C=CC1=CC(C)(NC)CO1;OHAVZHXETPJRTR-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322710;MM322710;CC=C(C)C=CC(C)=CF;DJKRMEAVIVSXBO-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322711;MM322711;CNC1(C)C=C(C=O)OC1;DYQUFIPRHAPZHE-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322712;MM322712;CC=C(F)C=CC(C)=NN;VNUJRKPPIPJJIE-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322713;MM322713;C=CC1=CC(C)(OC)CO1;PFIGUCRZOFYPNZ-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322714;MM322714;CC=C(F)C=CC(C)=NO;AERVHSBISPZLQX-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322715;MM322715;COC1(C)C=C(C=O)OC1;YYJUCPJIFAHWSU-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322716;MM322716;CC(C=CC(C)=NO)=NO;NFUVCWPAESVLQE-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322717;MM322717;COC1(C)C=C(C#N)OC1;MFQVSAUITTWLSZ-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322718;MM322718;CCC(C)C#CC(C)CC;FKJVXCCFZNLKSJ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322719;MM322719;C=CC1=CC(C)(CC)NC1;QEWMAHUDQSWBCL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322720;MM322720;CCC(C)C#CC(C)CN;RVEYIHWEJXEHNV-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322721;MM322721;CCC1(C)C=C(C=O)CN1;ZZEDJDPEJPABPJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322722;MM322722;CCC(C)C#CC(C)CO;PTLFRODTJMUEHT-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322723;MM322723;CCC1(C)C=C(C#N)CN1;RAEGQPHVTAZSBH-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322724;MM322724;CCC(C)C#CC(C)CF;FPNRPXMEQGOKCE-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322725;MM322725;C=CC1=CC(C)(CN)NC1;NZPJMLNVAYSJEC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322726;MM322726;CCC(C)C#CC(N)CC;LUEAALVHEHPQGM-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322727;MM322727;C=CC1=CC(C)(CO)NC1;ZNEYRQXRYROSIM-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322728;MM322728;CCC(C)C#CC(N)CN;PMLXBIJHPMBXCH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322729;MM322729;CC1(CO)C=C(C=O)CN1;JWPKEOHYBLBWGP-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322730;MM322730;CC(C#CC(N)CN)CN;VWNJOSSZSJHDGX-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322731;MM322731;C=CC1=CC(C)(CF)NC1;QMHDXHVNBGPKJE-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322732;MM322732;CC(C#CC(N)CF)CN;AVUXJGDASYQGAX-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322733;MM322733;CC1(CF)C=C(C=O)CN1;FZGFNOWWIJYDME-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322734;MM322734;CCC(N)C#CC(C)CO;XUUWHBCARYUHRL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322735;MM322735;C=CC1=CC(C)(CC)OC1;RTYUKEUIXMUHDR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322736;MM322736;CC(C#CC(N)CN)CO;CZPMRQBCCJCHQQ-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322737;MM322737;CCC1(C)C=C(C=O)CO1;FUTNNCPWOWZBIB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322738;MM322738;CCC(N)C#CC(C)CF;SQIKNWXWFDYOJC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322739;MM322739;CCC1(C)C=C(C#N)CO1;DTGKIRKBOGWRNS-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322740;MM322740;CC(C#CC(N)CN)CF;FVAJMGFCNKSCPP-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322741;MM322741;C=CC1=CC(C)(CN)OC1;NTIOFEYCKMRJGA-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322742;MM322742;CCC(C)C#CC(O)CC;ZZAFJSRZRVUOJI-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322743;MM322743;CCC(C)C#CC(O)CN;WWSNNLFJVGQTGN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322744;MM322744;C=CC1=CC(C)(CF)OC1;DTFRAWMLIZZURC-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322745;MM322745;CCC(C)C#CC(O)CO;WDCLRNWTBHALHL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322746;MM322746;CC1(CF)C=C(C=O)CO1;JAUZNXBMFHDRJK-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322747;MM322747;CC(C#CC(O)CF)CO;IRPJADCMRQNTKO-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322748;MM322748;CC1(CF)C=C(C#N)CO1;XAICTFMMNWDHPM-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322749;MM322749;CC(C#CC(O)CN)CF;VCEAAAGKSXEXRB-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322750;MM322750;C=CC1=CC(C)(OC)OC1;CVIVUMKKRTVALD-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322751;MM322751;CC(C#CC(O)CF)CF;BRWJFJFJJANTCJ-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322752;MM322752;COC1(C)C=C(C=O)CO1;QBMHYHUXOUFMNA-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322753;MM322753;CCC(C)C#CC(F)CN;HXNBHUHTUIABBD-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322754;MM322754;COC1(C)C=C(C#N)CO1;RSQWURMRGKFNHF-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322755;MM322755;CCC(C)C#CC(F)CF;YQDULMABDDGNNQ-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322756;MM322756;C#CC1=CC(C)(CC)CC1;OEOLNGIJLATANS-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322757;MM322757;CCC(F)C#CC(C)CN;QXGIKXWVRPHVEF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322758;MM322758;C#CC1=CC(C)(CN)CC1;LUYFJAGUSARXIA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322759;MM322759;CC(C#CC(F)CN)CN;YCZZUHNFJXNTJC-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322760;MM322760;CC(C)C=CCCCO;FRDGUFZXMNVORS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322761;MM322761;CC(C#CC(F)CO)CO;HJSLXPSODFFWMM-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322762;MM322762;C#CC1=CC(N)(CC)CC1;QPPCKXFDRZHNBO-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322763;MM322763;CC(C#CC(F)CF)CO;VGEICZGVLXVKHN-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322764;MM322764;C#CC1=CC(N)(CN)CC1;ZOUDXMRFJMTLEN-UHFFFAOYSA-N;136.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322765;MM322765;CCC(F)C#CC(C)CF;FGDWDNCGNXFRPL-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322766;MM322766;C#CC1=CC(N)(CO)CC1;GSUZWLHOMUCKTP-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322767;MM322767;CCC(N)C#CC(N)CC;BHAIUZBIIGZKSV-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322768;MM322768;CC(F)C=CCCCO;ZBZPLXSOHKRAOK-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322769;MM322769;CCC(N)C#CC(N)CN;JNNRDGYRGGDIJD-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322770;MM322770;C#CC1=CC(O)(CN)CC1;NHNIEVGALCESEE-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322771;MM322771;NC(C#CC(N)CO)CO;CTCWWNYUWUDLNY-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322772;MM322772;CCC(N)C#CC(O)CC;BWXALLYGVONHFE-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322773;MM322773;C#CC1=CC(O)(CO)CC1;JTFKYYFPLMUHFT-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322774;MM322774;NC(C#CC(F)CO)CO;OLBUUJFIFSRQSU-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322775;MM322775;C#CC1=CC(O)(CF)CC1;UETPJTYXWFUVDL-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322776;MM322776;CCC(O)C#CC(F)CO;XPTFYDRVTSJWLV-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322777;MM322777;C#CC1=CC(F)(CC)CC1;BBTJOFDULIBAKE-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322778;MM322778;OCC(O)C#CC(F)CO;QTJDFHHZWPZBHY-UHFFFAOYSA-N;148.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322779;MM322779;C#CC1=CC(F)(CN)CC1;ACWMQLCOALXXST-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322780;MM322780;OCC(F)C#CC(F)CO;LWIPOEGFWQZEPW-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322781;MM322781;C#CC1=CC(C)(NC)CC1;BEKSMCAXVHNYRW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322782;MM322782;CCC(C)C#CC(C)NC;JPOSYHDMABWART-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322783;MM322783;C#CC1=CC(C)(OC)CC1;TWYWMMHJWZEXNP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322784;MM322784;CNC(C)C#CC(C)CF;MPSIUBGPEDNNFR-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322785;MM322785;C#CC1=CC(C)(CC)CO1;ZSBWKOOIDFMCBO-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322786;MM322786;CNC(C)C#CC(O)CO;OHBYOSVWCDGMGU-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322787;MM322787;C#CC1=CC(C)(CN)CO1;XYAZAZZGJZTLRZ-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322788;MM322788;CCC(F)C#CC(C)NC;VMJQWHFLNLGGDG-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322789;MM322789;C#CC1=CC(C)(CO)CO1;WRUZVZGPXHVRTA-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322790;MM322790;CNC(C)C#CC(F)CN;VGVXPNBAEDDUHE-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322791;MM322791;C#CC1=CC(N)(CC)CO1;OMZCAUMGYUWOGJ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322792;MM322792;CNC(C)C#CC(F)CF;IRMDQPYUDJYCEJ-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322793;MM322793;C#CC1=CC(N)(CN)CO1;IXLZLNSMDKQKCM-UHFFFAOYSA-N;138.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322794;MM322794;CCC(C)C#CC(C)OC;KCAATRULMBAIKX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322795;MM322795;C#CC1=CC(N)(CO)CO1;XUVVIWBTJBXPNF-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322796;MM322796;COC(C)C#CC(C)CN;AIXCLVVDBZHLJW-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322797;MM322797;C#CC1=CC(O)(CC)CO1;HZXHJQGUXDBZBR-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322798;MM322798;CCC(N)C#CC(C)OC;KUGZSAPJQHITGS-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322799;MM322799;C#CC1=CC(O)(CN)CO1;HGRWLYMKDVPRBR-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322800;MM322800;COC(C)C#CC(N)CO;XUAYMAKTRYKYHU-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322801;MM322801;C#CC1=CC(O)(CO)CO1;ADORLNIKOSJTPT-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322802;MM322802;COC(C)C#CC(C)OC;LDZPWMURWZNHKN-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322803;MM322803;C=CC(C)C#CC(C)CC;CYIXLQDAWBBRBZ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322804;MM322804;C#CC1=CC(F)(CC)CO1;DLLWZAIYKYXEAK-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322805;MM322805;CCC(C)C#CC(C)C=O;HFHZUPSBXNEOGG-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322806;MM322806;C#CC1=CC(F)(CN)CO1;ICUCAYPGFQQGOE-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322807;MM322807;CCC(C)C#CC(C)C#N;SPHROWOAIQVSBI-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322808;MM322808;C#CC1=CC(C)(NC)CO1;QNGKIGQPPWCAKI-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322809;MM322809;C=CC(C)C#CC(C)CN;LAOBVKFLWQGQJW-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322810;MM322810;C#CC1=CC(C)(OC)CO1;MCLGMSLSSPEOGU-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322811;MM322811;CC(C#CC(C)CO)C=O;YBCFCXKFIURLBF-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322812;MM322812;C#CC1=CC(C)(CC)NC1;YCKXGSIERUMHPZ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322813;MM322813;CC(C#N)C#CC(C)CO;DFIYELDMLQYYRM-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322814;MM322814;C#CC1=CC(C)(CN)NC1;PVAPFLOYLSWBPQ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322815;MM322815;CC(C#CC(C)CF)C=O;BRXCVBULNWUAQJ-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322816;MM322816;C#CC1=CC(C)(CO)NC1;DQQLZNFMHQCJKX-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322817;MM322817;CC(C#N)C#CC(C)CF;JCQXTYCLDCIRFR-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322818;MM322818;C#CC1=CC(C)(CF)NC1;OOZFYKCRZSBXRX-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322819;MM322819;C=CC(N)C#CC(C)CC;WHMDWXMZZIEEKI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322820;MM322820;C#CC1=CC(C)(CC)OC1;KJHCAWHHHICXCB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322821;MM322821;C=CC(N)C#CC(C)CN;CEKGPJVGJPUOFF-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322822;MM322822;C#CC1=CC(C)(CN)OC1;IYNZVQNSWKSOTP-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322823;MM322823;C=CC(N)C#CC(C)CF;GJACXZYSJRRGSL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322824;MM322824;C#CC1=CC(C)(OC)OC1;UTLAGIMGQBVHST-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322825;MM322825;C=CC(O)C#CC(C)CC;YUUMMJRUGWJCES-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322826;MM322826;C=CC1(C)C=C(CC)CC1;SOANAXJEJOFQMH-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322827;MM322827;CCC(C)C#CC(O)C#N;NEXJRZJMHTXVQF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322828;MM322828;C=CC1(C)C=C(CN)CC1;DXBNOCUFLSKMGP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322829;MM322829;C=CC(O)C#CC(C)CF;WRHOZPMFWGXZJB-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322830;MM322830;C=C(F)C=CCCCO;YERLICFMCLMCDW-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322831;MM322831;CC(C#CC(O)C=O)CF;IKJGPCSQASGZOS-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322832;MM322832;C=CC1(C)C=C(CF)CC1;NNCLXAFKULBVFV-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322833;MM322833;C=CC(C)C#CC(N)CC;OMICCCLCPREVRA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322834;MM322834;CCC1=CC(C)(C=O)CC1;AIEXXKLWFBKJLX-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322835;MM322835;C=CC(C)C#CC(N)CN;RKVDLBLLMWVTKL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322836;MM322836;CCC1=CC(C)(C#N)CC1;XECZMQACPVAXIF-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322837;MM322837;C=CC(N)C#CC(N)CO;WCQMJRXBMGKTEH-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322838;MM322838;C=C(C=CC)CCCO;JFUGURJSQINFFX-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322839;MM322839;C=CC(O)C#CC(N)CC;CJEOBNMJTXAFRG-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322840;MM322840;CC1(C#N)C=C(CO)CC1;GEFIBVVJPMPFCQ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322841;MM322841;C=CC(C)C#CC(O)CC;XOROLOACWOZLCB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322842;MM322842;CC1(C=O)C=C(CF)CC1;GIUXCLJOEDWGDI-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322843;MM322843;CCC(O)C#CC(C)C#N;KWWHGJFANPTQCG-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322844;MM322844;CC1(C#N)C=C(CF)CC1;KHCPIVYZHZCKQN-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322845;MM322845;CC(C#N)C#CC(O)CO;QQOIHQYYXZHQCD-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322846;MM322846;C=CC1(N)C=C(CC)CC1;AUFCMLRIIXSYCA-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322847;MM322847;C=CC(C)C#CC(O)CF;LFBNSHCDDMNZJH-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322848;MM322848;C=CC1(N)C=C(CN)CC1;CDMCTCZXURREBZ-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322849;MM322849;CC(C#N)C#CC(O)CF;OOAFJBAMIQWMCC-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322850;MM322850;C=CC1(N)C=C(CO)CC1;KLYCDRXDCRDHPI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322851;MM322851;CCC(O)C#CC(O)C#N;WXVYLCXPXSGUQK-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322852;MM322852;C=CC1(N)C=C(CF)CC1;NINMAPSJAOYBKC-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322853;MM322853;C=C(C=CF)CCCO;LFENYDMWWGIFKP-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322854;MM322854;O=CC(O)C#CC(O)CO;FRRBRQVWXDJSIH-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322855;MM322855;C=CC1(O)C=C(CN)CC1;CXPKQKCHNXZWBF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322856;MM322856;N#CC(O)C#CC(O)CO;QMOCDFWFNFSPDO-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322857;MM322857;C=CC1(O)C=C(CO)CC1;HVWXHGJGHMVSAM-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322858;MM322858;N#CC(O)C#CC(O)CF;YYSYAUVFYIQMCA-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322859;MM322859;C=CC1(O)C=C(CF)CC1;AAHQZPCCPFEYCO-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322860;MM322860;CCC(O)C#CC(F)C#N;PLDJXBUYFNVGAB-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322861;MM322861;CCC1=CC(O)(C=O)CC1;KAPRPDZJXSMKPQ-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322862;MM322862;O=CC(F)C#CC(O)CO;VYGFJPVQHWSXHX-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322863;MM322863;CCC1=CC(O)(C#N)CC1;IKORFNHQTUDGST-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322864;MM322864;O=CC(F)C#CC(O)CF;LLIALBYGZMGSOX-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322865;MM322865;O=CC1(O)C=C(CO)CC1;KAMZJGRAGJUCSF-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322866;MM322866;N#CC(F)C#CC(O)CF;RVXDKCMUBZCWLP-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322867;MM322867;N#CC1(O)C=C(CO)CC1;NKIZEUCNACEXKC-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322868;MM322868;C=CC(C)C#CC(F)CN;SNLSOFJKMKROAC-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322869;MM322869;O=CC1(O)C=C(CF)CC1;UHBRFAYREZYGJA-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322870;MM322870;CC(C#N)C#CC(F)CO;RVXRRBCDAYBPPM-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322871;MM322871;N#CC1(O)C=C(CF)CC1;IIZMKJLVLFTIHH-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322872;MM322872;C=CC(C)C#CC(F)CF;OWINESOVUKOBNZ-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322873;MM322873;C=CC1(F)C=C(CC)CC1;WFOHLNUQLRBPHO-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322874;MM322874;CC(C#N)C#CC(F)CF;NWKJMPOUKBTIJS-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322875;MM322875;C=CC1(F)C=C(CN)CC1;LZJWVIJCNPKFMA-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322876;MM322876;C=CC(O)C#CC(F)CN;UHEUVJDCPFETMO-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322877;MM322877;C=CC1(F)C=C(CO)CC1;CNDLMGAJNKZKCN-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322878;MM322878;O=CC(O)C#CC(F)CO;DJGHOGLUIOFSJZ-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322879;MM322879;C=CC1(F)C=C(CF)CC1;ZOMZGEPWUSZAJS-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322880;MM322880;N#CC(O)C#CC(F)CO;OEPDUKSEPUCTFW-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322881;MM322881;CCC1=CC(F)(C=O)CC1;FGSJEXSSDNLZSE-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322882;MM322882;O=CC(O)C#CC(F)CF;NBEOTKRHHJWAJG-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322883;MM322883;CCC1=CC(F)(C#N)CC1;YSVYXOOSPLDMSW-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322884;MM322884;N#CC(O)C#CC(F)CF;BMBFWCPCZBOZOF-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322885;MM322885;O=CC1(F)C=C(CO)CC1;MJVHTWIEMSPBGX-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322886;MM322886;O=CC(F)C#CC(F)CO;KTFXATBGJAEUDK-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322887;MM322887;N#CC1(F)C=C(CO)CC1;HWKDUEGKSSESKL-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322888;MM322888;N#CC(F)C#CC(F)CO;IREWXGQKWMOKBK-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322889;MM322889;O=CC1(F)C=C(CF)CC1;JOUGZNOMCIBJGW-UHFFFAOYSA-N;146.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322890;MM322890;O=CC(F)C#CC(F)CF;MURFBCYHJDNKPY-UHFFFAOYSA-N;150.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322891;MM322891;N#CC1(F)C=C(CF)CC1;NJKKXBDEDUHPSU-UHFFFAOYSA-N;143.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322892;MM322892;C=CC(C)C#CC(C)NC;VOCYCKGZXSGABR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322893;MM322893;C=CC1(C)C=C(OC)CC1;ODZLEDQYBVNSMF-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322894;MM322894;CNC(C)C#CC(C)C#N;QZCSJHGSEBECPD-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322895;MM322895;COC1=CC(C)(C=O)CC1;LSHOASKCXNPMDJ-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322896;MM322896;C=CC(N)C#CC(C)NC;KOEIOEMZLSCONB-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322897;MM322897;COC1=CC(C)(C#N)CC1;VYBPDIBSEWUHBD-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322898;MM322898;C=CC(F)C#CC(C)NC;VZIGSHXTMWGJIF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322899;MM322899;C=CC1(N)C=C(OC)CC1;PJESTXWREVYGQY-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322900;MM322900;C=CC(C)C#CC(C)OC;YNHSCPWCBGIUME-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322901;MM322901;C=CC1(O)C=C(OC)CC1;VKYRRGLRVQNSAC-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322902;MM322902;COC(C)C#CC(C)C#N;CICHFSJBISGAAY-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322903;MM322903;COC1=CC(O)(C=O)CC1;JYONJLKFFBFVCB-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322904;MM322904;C=CC(O)C#CC(C)OC;BBCSFKVWUZNBBN-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322905;MM322905;COC1=CC(O)(C#N)CC1;WWAGPDYBNXIUJW-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322906;MM322906;COC(C)C#CC(O)C=O;VSDCWWKETIFLQS-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322907;MM322907;C=CC1(F)C=C(OC)CC1;KWBFOXINDBXGGU-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322908;MM322908;COC(C)C#CC(F)C=O;RDDVKILWOXIPNT-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322909;MM322909;COC1=CC(F)(C=O)CC1;UFFVQKAGIGHRCN-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322910;MM322910;COC(C)C#CC(F)C#N;CEUOYUJIXKCEBJ-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322911;MM322911;COC1=CC(F)(C#N)CC1;JLXSUNYYSMYLAI-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322912;MM322912;C#CC(C)C#CC(C)CC;PAROUSDMAVSCLC-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322913;MM322913;C=CC1(C)C=C(CC)OC1;UNQGINVQFXKRKG-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322914;MM322914;C#CC(C)C#CC(C)CN;UZJFIIWVJLFCGT-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322915;MM322915;C=CC1(C)C=C(CN)OC1;ISBXADORBLWJOO-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322916;MM322916;C#CC(C)C#CC(C)CO;LBBIWAUAKQECJY-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322917;MM322917;C=CC1(C)C=C(CO)OC1;KNCOGPBPDIUZIE-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322918;MM322918;C#CC(C)C#CC(C)CF;YPQZBCRVNLTNMG-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322919;MM322919;C=CC1(C)C=C(CF)OC1;SESYJVLUJAOBFI-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322920;MM322920;C#CC(O)C#CC(C)CC;XFKSUOWDXJNSRB-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322921;MM322921;CCC1=CC(C)(C=O)CO1;XOBMWKYDVJENAH-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322922;MM322922;C#CC(O)C#CC(C)CN;NPAKBDOZGCJNTP-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322923;MM322923;CCC1=CC(C)(C#N)CO1;XLCSQRFGFUCAAM-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322924;MM322924;C#CC(O)C#CC(C)CF;GTFAQEOBEMQAAY-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322925;MM322925;CC1(C=O)C=C(CO)OC1;ZXADSDVFSFMTJF-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322926;MM322926;CC1(C#N)C=C(CO)OC1;UECRXTSIQODEKF-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322927;MM322927;C#CC(F)C#CC(C)CC;ZTSOKLIBCHSIKJ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322928;MM322928;CC1(C=O)C=C(CF)OC1;CSORMFDQODRIIN-UHFFFAOYSA-N;144.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322929;MM322929;C#CC(F)C#CC(C)CO;MDUXLHOCYNUVMQ-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322930;MM322930;CC1(C#N)C=C(CF)OC1;GDIXJNWGTMZOPP-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322931;MM322931;C#CC(F)C#CC(C)CF;DMFCQLBOLZZNFX-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322932;MM322932;C=CC1(N)C=C(CC)OC1;AUCHJIDUYYZRCT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322933;MM322933;C#CC(C)C#CC(N)CC;QSEJWIIRWYGUKP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322934;MM322934;C=CC1(N)C=C(CN)OC1;SLWNCYPXKMUICM-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322935;MM322935;C#CC(N)C#CC(N)CN;WFVUUQRBYKUDRR-UHFFFAOYSA-N;137.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322936;MM322936;C=CC1(N)C=C(CO)OC1;DBJRELBAKYLAEG-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322937;MM322937;C#CC(N)C#CC(N)CO;NACMRRJOOKWOLO-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322938;MM322938;C=CC1(N)C=C(CF)OC1;GWEHPWYGROSHIW-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322939;MM322939;C#CC(O)C#CC(N)CN;JRSPDNMFJSELGY-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322940;MM322940;C=CC1(O)C=C(CC)OC1;PTSXEDOHSYKQCO-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322941;MM322941;C#CC(F)C#CC(N)CC;DSZDXPQTYXOCPH-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322942;MM322942;C=CC1(O)C=C(CN)OC1;QMIUFNNYOAIEAE-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322943;MM322943;C#CC(F)C#CC(N)CN;WBJCVDJIOLZSJD-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322944;MM322944;C=CC1(O)C=C(CO)OC1;FCFUHBIRDKUMNW-UHFFFAOYSA-N;142.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322945;MM322945;C#CC(F)C#CC(N)CO;KAVIBDPVEAROTR-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322946;MM322946;C=CC1(O)C=C(CF)OC1;DHYFTMMIXWFDAF-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322947;MM322947;C#CC(C)C#CC(O)CC;PMXYSNHJHNMHPW-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322948;MM322948;CCC1=CC(O)(C=O)CO1;PNNZFLCWCDMDJB-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322949;MM322949;C#CC(N)C#CC(O)CN;GKOXLYFYQMQKGP-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322950;MM322950;CCC1=CC(O)(C#N)CO1;NDXBRVFCCYOFQY-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322951;MM322951;C#CC(O)C#CC(O)CN;KBTRZNMNXSCYOW-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322952;MM322952;O=CC1(O)C=C(CO)OC1;ZPBLIQQVZXCBDM-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322953;MM322953;C#CC(O)C#CC(O)CO;WZSZWYWGQPTRCQ-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322954;MM322954;N#CC1(O)C=C(CO)OC1;NPLORPMFJZHUOI-UHFFFAOYSA-N;141.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322955;MM322955;C#CC(O)C#CC(O)CF;ATFUCWMCILGGOC-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322956;MM322956;O=CC1(O)C=C(CF)OC1;WHPYDMZDLIHQGF-UHFFFAOYSA-N;146.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322957;MM322957;C#CC(F)C#CC(O)CC;YVMRBNKUYVDDGN-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322958;MM322958;N#CC1(O)C=C(CF)OC1;NUKKCRGPUPHUPW-UHFFFAOYSA-N;143.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322959;MM322959;C#CC(F)C#CC(O)CN;XLIJFGLBEBBEBM-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322960;MM322960;C=CC1(F)C=C(CC)OC1;ZKGDNAPXGZGEOT-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322961;MM322961;C#CC(F)C#CC(O)CO;YSDXROQOYUXONC-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322962;MM322962;C=CC1(F)C=C(CN)OC1;YTBBPHSFRAUZHR-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322963;MM322963;C#CC(F)C#CC(O)CF;LAXSHEFEIZVBRE-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322964;MM322964;C=CC1(F)C=C(CO)OC1;CQUJWKVRCUZAPG-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322965;MM322965;C#CC(C)C#CC(F)CO;WXHRHOUMWRVMMW-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322966;MM322966;CCC1=CC(F)(C=O)CO1;ACQAEIGJOUKRMK-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322967;MM322967;C#CC(N)C#CC(F)CN;FQFFDPHXXXQIRA-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322968;MM322968;CCC1=CC(F)(C#N)CO1;AMSFSTDVVWMNKP-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322969;MM322969;C#CC(O)C#CC(F)CN;MBRINBUAWMTHSX-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322970;MM322970;N#CC1(F)C=C(CO)OC1;IDIJBHJAQJYZJG-UHFFFAOYSA-N;143.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322971;MM322971;C#CC(F)C#CC(F)CN;PKKXSWMUAXJPAL-UHFFFAOYSA-N;143.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322972;MM322972;N#CC1(F)C=C(CF)OC1;QOTXCPWYOWAOCR-UHFFFAOYSA-N;145.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322973;MM322973;C#CC(F)C#CC(F)CO;LRBZWPFLVVORNU-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322974;MM322974;C=CC1(C)C=C(CC)CN1;CWEIFDFWFXLHEV-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322975;MM322975;C#CC(C)C#CC(C)NC;IETGIILONSALAA-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322976;MM322976;C=CC1(C)C=C(CN)CN1;LQTZIDDACDCSNK-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322977;MM322977;C#CC(C)C#CC(C)OC;PQZXUMGYCXGFOW-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322978;MM322978;C=CC1(C)C=C(CO)CN1;UJGVWUILOKXQAY-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322979;MM322979;C#CC(F)C#CC(C)OC;UPVUUABBZKZBGS-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322980;MM322980;C=CC1(C)C=C(CF)CN1;TVQOVWBUSRTYCU-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322981;MM322981;C=CC(C)C#CC(C)C=C;OJKIPUBRKZHICL-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322982;MM322982;CCC1=CC(C)(C=O)NC1;SBIAUMHWBRUGBD-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322983;MM322983;CCC1=CC(C)(C#N)NC1;MVTXTOBKZDNSTP-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322984;MM322984;C=CC(C)C#CC(C)C=O;LFHLXCVHVKJCBV-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322985;MM322985;CC1(C=O)C=C(CO)CN1;MUBLMQHYKJYGMO-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322986;MM322986;C=CC(C)C#CC(C)C#N;QDKDGBJXUMJEII-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322987;MM322987;C=C(C=NN)CCCO;ZAHRPJGFWRWDFX-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322988;MM322988;CC(C#CC(C)C=O)C=O;WTTCPACLKMJAFM-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322989;MM322989;CC1(C=O)C=C(CF)CN1;ATNWJOHINHTKJI-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322990;MM322990;CC(C#N)C#CC(C)C=O;URBBIZMOAPXPED-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322991;MM322991;CC1(C#N)C=C(CF)CN1;GREZCWLXNDXRDP-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322992;MM322992;CC(C#N)C#CC(C)C#N;QMTSWEROHQEBGT-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322993;MM322993;C=CC1(C)C=C(OC)CN1;XUZDRGJAQQERES-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322994;MM322994;C=CC(C)C#CC(N)C=C;GGAKSDCBGCQVPK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322995;MM322995;COC1=CC(C)(C#N)NC1;XZIZVFIXSLQYKN-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322996;MM322996;C=CC(C)C#CC(O)C=C;HWYHOTRNTKDTES-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322997;MM322997;C=CC1(C)C=C(CC)CO1;PSTQJTGHYGQZMX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322998;MM322998;CC(C#CC(O)C=O)C=O;WTANJBZMKJIJDV-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM322999;MM322999;C=CC1(C)C=C(CN)CO1;UHCZSBMYOUSXHR-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323000;MM323000;CC(C#N)C#CC(O)C=O;GRWPNAOHSYKXHH-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323001;MM323001;C=CC1(C)C=C(CO)CO1;AGFFENVRDXRIMU-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323002;MM323002;CC(C#CC(O)C#N)C=O;HWKZQBMVRYKBRT-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323003;MM323003;C=CC1(C)C=C(CF)CO1;ZYDODUSWDABUFB-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323004;MM323004;C=CC(F)C#CC(C)C#N;YHLLVRSMAAZJKR-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323005;MM323005;CCC1=CC(C)(C=O)OC1;OUZQNBBTWRXGQA-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323006;MM323006;CC(C#CC(F)C=O)C=O;CBRQIBXLRQHWRW-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323007;MM323007;CCC1=CC(C)(C#N)OC1;HIVCGDWUFYVDTN-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323008;MM323008;CC(C#N)C#CC(F)C=O;JMGDALRBAQAKSL-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323009;MM323009;CC1(C=O)C=C(CO)CO1;FTBZHVVOJXHHBP-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323010;MM323010;CC(C#N)C#CC(F)C#N;DMQIXYKANNRNHD-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323011;MM323011;CC1(C#N)C=C(CO)CO1;LAAQMBYHXJUKEB-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323012;MM323012;O=CC(O)C#CC(O)C=O;ZAEIJIMNDQOPBB-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323013;MM323013;CC1(C=O)C=C(CF)CO1;HODHMGQMCILQKM-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323014;MM323014;N#CC(O)C#CC(O)C=O;MLSHVYMFLZPJRT-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323015;MM323015;CC1(C#N)C=C(CF)CO1;FWLMQNNZBQIZNR-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323016;MM323016;C=CC(F)C#CC(O)C#N;HTCVTRSFLBWDKN-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323017;MM323017;C=CC1(C)C=C(OC)CO1;CHGNJLCNFWDKEV-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323018;MM323018;O=CC(O)C#CC(F)C=O;VUQWPVWUWMTEKX-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323019;MM323019;COC1=CC(C)(C=O)OC1;WFGUKLNDSFPELG-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323020;MM323020;COC1=CC(C)(C#N)OC1;KCYWYIXUZVDURA-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323021;MM323021;C=CC(F)C#CC(F)C=O;GQCHVDLZUNSAJP-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323022;MM323022;N#CC(F)C#CC(F)C#N;FFGNCVDBZFFRCA-UHFFFAOYSA-N;140.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323023;MM323023;C=CC1(C)CNC(NC)=N1;MLBUWZWYWLVOLL-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323024;MM323024;C#CC(C)C#CC(C)C=C;GCMMFXRIKBUSFY-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323025;MM323025;C=CC1(C)CNC(NN)=N1;YFYWAIFIVBUURH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323026;MM323026;C=CC1(C)CNC(NO)=N1;WHQHXYZONRQWRX-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323027;MM323027;C#CC(C)C#CC(C)C=O;YUPCQCSWGARUPC-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323028;MM323028;CNC1=NC(C)(C=O)CN1;VXINBYOOIIRATK-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323029;MM323029;C#CC(C)C#CC(C)C#N;WXQAMRPGKSYAIF-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323030;MM323030;CC1(C=O)CNC(NO)=N1;XAVNXQIVWZVEKS-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323031;MM323031;C#CC(O)C#CC(C)C#N;YTWBQLUSGQLACM-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323032;MM323032;CC=CC(O)C=CCC;HIMCIYANJMGKRC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323033;MM323033;C#CC(F)C#CC(C)C=O;WJJLGKOJTHEZHP-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323034;MM323034;C=CC1(C)CNC(OC)=N1;SVPJPFPPIPUEDC-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323035;MM323035;C#CC(F)C#CC(C)C#N;LVROGRHWTYEOQH-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323036;MM323036;COC1=NC(C)(C=O)CN1;NHWOJSQIMBXPMM-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323037;MM323037;C#CC(C)C#CC(N)C=C;PQABXVUNUNPXCJ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323038;MM323038;COC1=NC(C)(C#N)CN1;PLZGFRZPZWMHFX-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323039;MM323039;C#CC(F)C#CC(N)C=C;ZYSLARIJKYOEDZ-UHFFFAOYSA-N;137.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323040;MM323040;C=CC1(C)COC(NN)=N1;AQFHVLMPTNBWFI-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323041;MM323041;C#CC(C)C#CC(O)C=C;RTZMQDDNBAYXJK-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323042;MM323042;C=C(C(N)=O)C(C)CC;UZVNHKWPFACRJJ-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323043;MM323043;C#CC(C)C#CC(O)C#N;XBEKZENTXZIBDN-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323044;MM323044;CNC1=NC(C)(C=O)CO1;DMIPGTVWHZJTFN-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323045;MM323045;C#CC(O)C#CC(O)C#N;GDYNGDYWBNHFFN-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323046;MM323046;CNC1=NC(C)(C#N)CO1;LJTXNIZHTSQISR-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323047;MM323047;C#CC(F)C#CC(O)C#N;CBTUVOGNZAUMLL-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323048;MM323048;CCC(C)=C(C)C(N)=O;XINDZEINPRPRGS-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323049;MM323049;C#CC(F)C#CC(F)C=O;RMJWPXCMDFIKHD-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323050;MM323050;C=C(C)C(=C)CCCO;FTTUYYIRMRXKSP-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323051;MM323051;C#CC(F)C#CC(F)C#N;ZNXIQTZBKJMSGH-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323052;MM323052;C=CC1=CC(C)(C=C)CC1;YBKLITAEXKLBPA-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323053;MM323053;C#CC(C)C#CC(C)C#C;KRCAXSHHBWFKAM-UHFFFAOYSA-N;130.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323054;MM323054;C=CC1(C)C=C(C=O)CC1;RBGUQMGZOFPMIN-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323055;MM323055;C#CC(C)C#CC(O)C#C;RFNDTCZEOACUGR-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323056;MM323056;C=CC1(C)C=C(C#N)CC1;MWCVTRLYEFNJPW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323057;MM323057;C#CC(C)C#CC(F)C#C;ZRGWBZIVPZMIQF-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323058;MM323058;C=CC1=CC(C)(C=O)CC1;LHKVXPUXKWDPPX-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323059;MM323059;C#CC(O)C#CC(F)C#C;QYVHMGXNGZORPA-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323060;MM323060;C=CC1=CC(C)(C#N)CC1;HADNPUGINLMZFX-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323061;MM323061;C#CC(F)C#CC(F)C#C;ALROWQQXCIZERO-UHFFFAOYSA-N;138.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323062;MM323062;CC1(C=O)C=C(C=O)CC1;KJZGRQORKSSTSF-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323063;MM323063;C=C(C#CC(C)CC)CC;WIMNIZWTYUAHJZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323064;MM323064;CC1(C=O)C=C(C#N)CC1;SDJDSNUNIDNMSM-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323065;MM323065;C=C(C#CC(C)CC)CN;RKASEPXBPTVOFT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323066;MM323066;CC1(C#N)C=C(C=O)CC1;OHAFZWSGKQTSJK-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323067;MM323067;C=C(C#CC(C)CC)CO;MZNOFXGTMNUHEW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323068;MM323068;CC1(C#N)C=C(C#N)CC1;UAZHURRTDLPIDG-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323069;MM323069;C=C(C#CC(C)CC)CF;GBKFPDJNURRBJD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323070;MM323070;C=CC1=CC(N)(C=C)CC1;YIADVFPRSVUKAT-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323071;MM323071;C=C(C#CC(C)CN)CC;MYSYUJXGVWNBSD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323072;MM323072;C=C(F)C(=C)CCCO;KNXBCRBTNULQRT-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323073;MM323073;C=C(C#CC(C)CN)CF;ZSSRCHDLUYQVQM-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323074;MM323074;C=CC1(O)C=C(C=O)CC1;DSXMUIBNENEWAD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323075;MM323075;C=C(C#CC(C)CO)CC;WACRVZLZBAVFKT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323076;MM323076;C=CC1(O)C=C(C#N)CC1;DHQQVECSZIMPOX-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323077;MM323077;C=C(C#CC(C)CO)CF;LSSFUPZLGCUBET-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323078;MM323078;C=CC1=CC(O)(C=O)CC1;USSRRNDAYHPHAS-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323079;MM323079;C=C(C#CC(C)CF)CN;GAJFREGGQYYARX-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323080;MM323080;C=CC1=CC(O)(C#N)CC1;MNYJJALYAGLJMX-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323081;MM323081;CCC(=O)C#CC(C)CC;VYJYFCGIIBZGBV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323082;MM323082;O=CC1=CC(O)(C=O)CC1;MRRMJLOKIFRBTL-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323083;MM323083;CCC(=O)C#CC(C)CO;UYQIDZWCOVSGAV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323084;MM323084;N#CC1=CC(O)(C=O)CC1;YSXNFWIEQYAICP-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323085;MM323085;N#CC1(O)C=C(C=O)CC1;VEDXCTCCGWGCEW-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323086;MM323086;CCC(=O)C#CC(C)CF;BSOUEIYJIAMPLK-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323087;MM323087;N#CC1=CC(O)(C#N)CC1;HCUZPLBWFGOILA-UHFFFAOYSA-N;134.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323088;MM323088;C=C(C#CC(N)CC)CC;NLAZFUZIDVBZRR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323089;MM323089;C=CC1=CC(F)(C=C)CC1;ZZOYSJFZQQEYCH-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323090;MM323090;C=C(C#CC(N)CN)CC;UVSJKBBVDKZDQQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323091;MM323091;C=CC1(F)C=C(C=O)CC1;MDZJERUYPXYSQK-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323092;MM323092;C=C(C#CC(N)CN)CN;BATSCOVEFFLIEW-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323093;MM323093;C=CC1(F)C=C(C#N)CC1;ASZSNJLPRBYBFM-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323094;MM323094;C=C(C#CC(N)CN)CO;ULLMPQNGAPMDDV-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323095;MM323095;C=CC1=CC(F)(C=O)CC1;LZMGXSBYZPDMHE-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323096;MM323096;C=C(C#CC(N)CO)CN;YHVIZUFHWPANKD-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323097;MM323097;C=CC1=CC(F)(C#N)CC1;CFVUXAJUJVQGIC-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323098;MM323098;C=C(C#CC(O)CC)CC;JZORYOQZSXKBPZ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323099;MM323099;O=CC1=CC(F)(C=O)CC1;ANKYEPSDMYJEIA-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323100;MM323100;C=C(C#CC(O)CN)CC;OTOAJIUKQJYHOG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323101;MM323101;N#CC1=CC(F)(C=O)CC1;YGDNSTGDLHHUQD-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323102;MM323102;C=C(C#CC(O)CO)CC;BKBSDXGTNPHAMC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323103;MM323103;N#CC1(F)C=C(C=O)CC1;BDSMLNCPNAEVKL-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323104;MM323104;C=C(C#CC(O)CO)CN;YFGKDDXVIJVNBL-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323105;MM323105;N#CC1=CC(F)(C#N)CC1;PURQNFVAELTNAN-UHFFFAOYSA-N;136.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323106;MM323106;C=C(C#CC(O)CO)CO;MBLMNLXYQGOCPA-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323107;MM323107;C=CC1=CC(C)(C=C)CO1;WEBRHTJALUWJQM-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323108;MM323108;C=C(C#CC(O)CF)CC;XXBUYNDGDZUSNY-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323109;MM323109;C=CC1(C)C=C(C=O)OC1;PFQZTOJXWLHOPK-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323110;MM323110;C=C(C#CC(O)CF)CO;COSIOHYAHBWFAD-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323111;MM323111;C=CC1(C)C=C(C#N)OC1;PPOGRNAPFSRRET-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323112;MM323112;CCC(=O)C#CC(O)CC;PDGUZKSSAMRNDG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323113;MM323113;C=CC1=CC(C)(C=O)CO1;HDTHCOZDYYDOAW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323114;MM323114;CCC(=O)C#CC(O)CO;IYISZPCVTREPGB-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323115;MM323115;C=CC1=CC(C)(C#N)CO1;METUURGBEUNGDV-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323116;MM323116;O=C(C#CC(O)CO)CO;SRQLNCSGQUAYKQ-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323117;MM323117;CC1(C=O)C=C(C=O)OC1;NWMWGGIXJVOOLB-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323118;MM323118;O=C(C#CC(O)CF)CF;SAISZVSKBVGSKZ-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323119;MM323119;CC1(C=O)C=C(C#N)OC1;YHWULPVKMABWOW-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323120;MM323120;C=C(C#CC(F)CN)CC;RYEWPHNRBNRIRP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323121;MM323121;CC1(C#N)C=C(C=O)OC1;WIJGDQTVOTVLPI-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323122;MM323122;C=C(C#CC(F)CO)CN;CWCBASNMDSDLGO-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323123;MM323123;CC1(C#N)C=C(C#N)OC1;SBQPEBQMIVQCKE-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323124;MM323124;C=C(C#CC(F)CO)CO;DVVYUXVPLOOONN-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323125;MM323125;C=CC1=CC(N)(C=C)CO1;URADWBKTRXHKLD-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323126;MM323126;C=C(C#CC(F)CF)CN;GQXROSJXXPVWQW-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323127;MM323127;C=CC1=CC(O)(C=C)CO1;QVTKIVLCEBHBHU-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323128;MM323128;CCC(=O)C#CC(F)CO;OPFXNMFXQWQASO-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323129;MM323129;C=CC1(O)C=C(C=O)OC1;DCJFKKOUYPYNCO-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323130;MM323130;O=C(C#CC(F)CO)CO;WRYVKLCBNUDQPL-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323131;MM323131;C=CC1(O)C=C(C#N)OC1;NHSSALSBUYNTMU-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323132;MM323132;O=C(C#CC(F)CO)CF;DRWRJBPOKLRLPY-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323133;MM323133;C=CC1=CC(O)(C=O)CO1;DTWJTMPWXBENBA-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323134;MM323134;O=C(C#CC(F)CF)CO;HDWVFEZDMFMJPG-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323135;MM323135;C=CC1=CC(O)(C#N)CO1;FGMZYHHNTBPOAD-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323136;MM323136;CCC(C)C#CC(=N)NC;LEVSORXZHOPWCN-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323137;MM323137;O=CC1=CC(O)(C=O)CO1;YWLQTQCWQDXYPK-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323138;MM323138;CCC(C)C#CC(=N)NN;OEURFYMTVHEAJJ-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323139;MM323139;N#CC1=CC(O)(C=O)CO1;QFMRUOFMWWONMU-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323140;MM323140;CCC(C)C#CC(=O)NC;GYJPCQZLLFFNJW-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323141;MM323141;N#CC1(O)C=C(C=O)OC1;IYVABMBPZFAWDN-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323142;MM323142;CCC(C)C#CC(=O)NO;RFMWOTCZHBFNDC-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323143;MM323143;N#CC1=CC(O)(C#N)CO1;WGLLXQDHSSVBMR-UHFFFAOYSA-N;136.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323144;MM323144;CC(C#CC(=O)NO)CO;OMQJJFAAIIFUEI-UHFFFAOYSA-N;143.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323145;MM323145;C=CC1=CC(F)(C=C)CO1;AKDZVKSGCRGKIM-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323146;MM323146;CNC(=N)C#CC(N)CN;VVXLGGTXPDVNBM-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323147;MM323147;C=CC1(F)C=C(C=O)OC1;IZWMSEAFSYHDHV-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323148;MM323148;CNC(=N)C#CC(N)CO;CDPJIEBVRFDXGH-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323149;MM323149;C=CC1(F)C=C(C#N)OC1;WMMQOCWMGCKTLW-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323150;MM323150;CNC(=N)C#CC(N)CF;DZOYVOOWFCJERP-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323151;MM323151;C=CC1=CC(F)(C=O)CO1;NUOUJOCBYAMMPF-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323152;MM323152;CCC(N)C#CC(=O)NC;FHEXJCDPMZKCOD-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323153;MM323153;C=CC1=CC(F)(C#N)CO1;BJOZSEHVNFNZNI-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323154;MM323154;CNC(=O)C#CC(N)CN;CUSJCEOEARLONS-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323155;MM323155;O=CC1=CC(F)(C=O)CO1;ZTNNDPAXCHBQGP-UHFFFAOYSA-N;144.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323156;MM323156;CNC(=N)C#CC(O)CN;HDLOBYJFIZHTPI-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323157;MM323157;N#CC1=CC(F)(C=O)CO1;DHPCSZDDENAPDQ-UHFFFAOYSA-N;141.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323158;MM323158;CNC(=N)C#CC(O)CO;AHIPMIHOWFOHAZ-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323159;MM323159;N#CC1(F)C=C(C=O)OC1;JHHMZDIHSSEXEU-UHFFFAOYSA-N;141.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323160;MM323160;N=C(C#CC(O)CO)NN;PDBSUPQGZRRSAF-UHFFFAOYSA-N;143.15;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323161;MM323161;N#CC1=CC(F)(C#N)CO1;ISSFBBCZQMSWOW-UHFFFAOYSA-N;138.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323162;MM323162;CNC(=N)C#CC(O)CF;SQGFCWQPCWSRJW-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323163;MM323163;C=CC1=CC(C)(C=C)NC1;GNPFXKBLTTWFIT-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323164;MM323164;N=C(C#CC(O)CF)NN;DHPUBHJBQTURGW-UHFFFAOYSA-N;145.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323165;MM323165;C=CC1(C)C=C(C=O)CN1;FLQRXXAKAUHFAI-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323166;MM323166;CCC(O)C#CC(=O)NC;XWDJDZSEGRIPAE-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323167;MM323167;CNC(=O)C#CC(O)CO;LQSGXRYTVJZEMK-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323168;MM323168;C=CC1=CC(C)(C=O)NC1;YBXYDBXUBSBPDG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323169;MM323169;NNC(=O)C#CC(O)CO;KGOCRYGIRSYIMQ-UHFFFAOYSA-N;144.13;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323170;MM323170;C=CC1=CC(C)(C#N)NC1;JJSHIUHSOOKYLP-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323171;MM323171;O=C(C#CC(O)CO)NO;WXQLVYLKWYRSOF-UHFFFAOYSA-N;145.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323172;MM323172;CC1(C=O)C=C(C#N)CN1;NRWIQPRUYYHDDI-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323173;MM323173;CNC(=O)C#CC(O)CF;JSVITBJVDXFMMM-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323174;MM323174;CC1(C#N)C=C(C=O)CN1;WAIXFNFMQSYEAK-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323175;MM323175;NNC(=O)C#CC(O)CF;PVJNAJPDCASYHL-UHFFFAOYSA-N;146.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323176;MM323176;CC1(C#N)C=C(C#N)CN1;WRMRAHDHESJHEV-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323177;MM323177;O=C(C#CC(O)CF)NO;ZPBPZFWBGJAIBR-UHFFFAOYSA-N;147.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323178;MM323178;C=CC1=CC(C)(C=C)OC1;BVHFMHXVRDEJEH-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323179;MM323179;CCC(F)C#CC(=N)NN;QXLVGHPUYFHODV-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323180;MM323180;C=CC1(C)C=C(C=O)CO1;MLYOWZNAFBFPCF-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323181;MM323181;CNC(=N)C#CC(F)CN;ZKQJNMPJOJUZQP-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323182;MM323182;C=CC1(C)C=C(C#N)CO1;MGVUDDHAGPBUCS-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323183;MM323183;CNC(=N)C#CC(F)CO;ACAOSXFSUYHUII-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323184;MM323184;C=CC1=CC(C)(C=O)OC1;UMKXOANQOYZNRO-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323185;MM323185;N=C(C#CC(F)CO)NN;BDEQPEUINMJHGM-UHFFFAOYSA-N;145.14;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323186;MM323186;C=CC1=CC(C)(C#N)OC1;MEFDXZUMQFMTET-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323187;MM323187;CCC(F)C#CC(=O)NO;WIVBTBHKQRXEJV-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323188;MM323188;CC1(C=O)C=C(C=O)CO1;CLPRVLGOYYDVAT-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323189;MM323189;CNC(=O)C#CC(F)CO;XIWJCCBLSIHNDK-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323190;MM323190;CC1(C=O)C=C(C#N)CO1;QNPQRPUZWGTEQV-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323191;MM323191;NNC(=O)C#CC(F)CO;CBVOAEUSHDSGOQ-UHFFFAOYSA-N;146.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323192;MM323192;CC1(C#N)C=C(C=O)CO1;QNZUAICIJQYUDB-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323193;MM323193;O=C(C#CC(F)CO)NO;WFAMCXYNDOBYOR-UHFFFAOYSA-N;147.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323194;MM323194;CC1(C#N)C=C(C#N)CO1;YSEVXVUWRCUQGC-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323195;MM323195;CNC(=O)C#CC(F)CF;VJWPFWPKYSVFCH-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323196;MM323196;C#CC1=CC(C)(C=C)CC1;GYMUHLBAUBXUBZ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323197;MM323197;O=C(C#CC(F)CF)NO;WTTJFIGFAVNDNF-UHFFFAOYSA-N;149.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323198;MM323198;C=C(C#CC(C)CC)OC;FUMYCEACIQDPAE-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323199;MM323199;C#CC1=CC(C)(C=O)CC1;XXFXNAODSJBJII-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323200;MM323200;C=C(C#CC(C)CO)OC;XFXOPMDHCBTSRO-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323201;MM323201;C#CC1=CC(C)(C#N)CC1;ACBYUOJSUIPMKG-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323202;MM323202;CCC(C)C#CC(=O)OC;QGJBPDARCSCDGO-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323203;MM323203;C#CC1=CC(N)(C=C)CC1;RLEOQUSCKXKCQY-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323204;MM323204;COC(=O)C#CC(C)CO;QHDBSHAWDSLESC-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323205;MM323205;CCC(C)=CCCCO;RYAOAJVCBKQVPV-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323206;MM323206;C=C(C#CC(N)CC)OC;JHOYLMBZLZTSDZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323207;MM323207;C#CC1=CC(O)(C=O)CC1;JJPKPBWRRLIOCY-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323208;MM323208;CCC(N)C#CC(=O)OC;KNVBTQYPWUCJRE-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323209;MM323209;C#CC1=CC(O)(C#N)CC1;DYEGGECSIMXJGO-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323210;MM323210;COC(=O)C#CC(N)CN;RDBGURQMCSSJCX-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323211;MM323211;C#CC1=CC(F)(C=C)CC1;ISIYHPKONZJIPQ-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323212;MM323212;C=C(C#CC(O)CC)OC;ZPVGRNOHXWDQNZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323213;MM323213;C#CC1=CC(F)(C=O)CC1;XUDTVHKKVWQDAP-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323214;MM323214;C=C(C#CC(O)CO)OC;YCTJKVSVISNWCG-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323215;MM323215;C#CC1=CC(F)(C#N)CC1;DSCRIAXQKRITLD-UHFFFAOYSA-N;135.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323216;MM323216;COC(=O)C#CC(O)CO;BDYHYDFOIMSLQA-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323217;MM323217;C#CC1=CC(C)(C=C)CO1;UULQGVXXRUIMOO-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323218;MM323218;COC(=O)C#CC(O)CF;CJXSJHCPNMAZSM-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323219;MM323219;C#CC1=CC(C)(C=O)CO1;BISLAIHTAVGASX-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323220;MM323220;C=C(C#CC(F)CO)OC;SVZYHPXOKTZEPL-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323221;MM323221;C#CC1=CC(C)(C#N)CO1;YICUINIPYINVRN-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323222;MM323222;C=C(C#CC(C)NC)CC;NFOQBNSSASCIFX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323223;MM323223;C#CC1=CC(N)(C=C)CO1;CTDAJWROUGENRL-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323224;MM323224;C=C(C#CC(C)NC)CO;LMFKGQGEZXNHIB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323225;MM323225;C#CC1=CC(O)(C=C)CO1;KXWMCOIWYUQRRC-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323226;MM323226;CNC(C)C#CC(=O)CO;OFKSNPCIBWBRNY-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323227;MM323227;C#CC1=CC(O)(C=O)CO1;RPSJFJXVMLYZGG-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323228;MM323228;CNC(C)C#CC(=O)NN;RKACQPRBIQNFAM-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323229;MM323229;C#CC1=CC(O)(C#N)CO1;ATHSQRRUWWOVHK-UHFFFAOYSA-N;135.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323230;MM323230;C=C(C#CC(C)OC)CC;XJFFDHKXZVNXGK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323231;MM323231;C#CC1=CC(F)(C=C)CO1;UKYLKYKGKRCGMN-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323232;MM323232;C=C(C#CC(C)OC)CO;SZYJPLHQNQICBQ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323233;MM323233;C#CC1=CC(F)(C=O)CO1;GKIDSJLHCHOZAU-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323234;MM323234;C=C(C#CC(C)OC)CF;XIPCSABTDGFUPZ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323235;MM323235;C#CC1=CC(F)(C#N)CO1;XZMCYFFGUYLPLD-UHFFFAOYSA-N;137.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323236;MM323236;CCC(=O)C#CC(C)OC;LBWJLEQVKRXPIC-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323237;MM323237;C#CC1=CC(C)(C=C)NC1;OQKMMGIKVWCDLH-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323238;MM323238;COC(C)C#CC(=O)CO;MUVUXXOCWDQFHJ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323239;MM323239;C#CC1=CC(C)(C#N)NC1;KCCGEWNDQSIPHQ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323240;MM323240;COC(C)C#CC(=N)NN;TZLILLWEVOCXBX-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323241;MM323241;C#CC1=CC(C)(C=C)OC1;WVRAECKAJJSNRR-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323242;MM323242;COC(C)C#CC(=O)NN;WGCDHQYIISCNFR-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323243;MM323243;C#CC1=CC(C)(C=O)OC1;ZZYVWEMJNWQXAV-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323244;MM323244;COC(C)C#CC(=O)NO;ZQMSTIDIYWZKHE-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323245;MM323245;C#CC1=CC(C)(C#N)OC1;DDPOXCNOJYHDDD-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323246;MM323246;C=C(C#CC(C)OC)OC;WXNVICNIIMTPSE-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323247;MM323247;C#CC1(C)C=C(CC)CC1;BOTSKARXUAHRPG-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323248;MM323248;COC(=O)C#CC(C)OC;IEJNIGLMVCIWAB-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323249;MM323249;C#CC1(C)C=C(CN)CC1;ZEXRNPJYCRRNIO-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323250;MM323250;C=CC(=C)C#CC(C)CC;VGGGDDQQMNTLHG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323251;MM323251;C#CC1(C)C=C(CO)CC1;BKOWBVWLRDOVDJ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323252;MM323252;C=C(C#CC(C)CC)C=O;UMMXMGLPGBCXFC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323253;MM323253;C#CC1(C)C=C(CF)CC1;KOYXTSXRXXHFTI-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323254;MM323254;C=C(C#N)C#CC(C)CC;FAFWVSSOWUAJTP-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323255;MM323255;C#CC1(N)C=C(CC)CC1;YCYAVBCQMPLYKC-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323256;MM323256;C=CC(=C)C#CC(C)CN;AVZXPDKQZKHOMS-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323257;MM323257;C#CC1(N)C=C(CN)CC1;GQHGHFXNPMAAGV-UHFFFAOYSA-N;136.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323258;MM323258;C=C(C#CC(C)CO)C=O;UDFVIJIUNGFOMX-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323259;MM323259;C#CC1(N)C=C(CO)CC1;JYPIITHTZBFPLK-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323260;MM323260;C=C(C#N)C#CC(C)CF;OASFXBVYBZZCJE-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323261;MM323261;C#CC1(N)C=C(CF)CC1;GPTADZVRVJEPDL-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323262;MM323262;C=CC(=O)C#CC(C)CC;IQVLREAPIVXIBZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323263;MM323263;C#CC1(O)C=C(CC)CC1;JOWATHYOXCHONO-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323264;MM323264;CCC(C)C#CC(=O)C#N;ALAMPAGHQBULOF-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323265;MM323265;C#CC1(O)C=C(CN)CC1;QJPZHUDHOXRBNQ-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323266;MM323266;C=CC(=O)C#CC(C)CO;MQPQIDOLPDRTDI-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323267;MM323267;C#CC1(O)C=C(CO)CC1;PFBXLUJKOYROCN-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323268;MM323268;CC(C#CC(=O)C=O)CO;FZKPTWFQMGILOZ-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323269;MM323269;C#CC1(O)C=C(CF)CC1;ODVXCOOSZKSWSC-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323270;MM323270;CC(C#CC(=O)C#N)CO;CPDBNPYYMSQBTB-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323271;MM323271;C#CC1(F)C=C(CC)CC1;YEKUHVITWCQKHT-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323272;MM323272;C=CC(=O)C#CC(C)CF;GMSFBDFHYHVBJQ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323273;MM323273;C#CC1(F)C=C(CN)CC1;JHBYWWLDYXSBSO-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323274;MM323274;C=CC(=C)C#CC(N)CC;UTJVGZVLOZKCRT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323275;MM323275;C#CC1(F)C=C(CO)CC1;ARHUBXCUSYUOKP-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323276;MM323276;C=CC(=C)C#CC(O)CC;UMFQEFSHURKYTH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323277;MM323277;C#CC1(F)C=C(CF)CC1;AUJSMPULTMJCFE-UHFFFAOYSA-N;142.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323278;MM323278;C=C(C#CC(O)CC)C=O;VYSBLMZSEVJCLQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323279;MM323279;C#CC1(C)C=C(OC)CC1;LSTWXSBBMUADDS-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323280;MM323280;C=C(C#N)C#CC(O)CC;MAYXGPDSQKCYGL-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323281;MM323281;C#CC1(N)C=C(OC)CC1;VUSWWIULXZBZQX-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323282;MM323282;C=C(C#CC(O)CO)C=O;ATOGIQISTFQFOR-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323283;MM323283;C#CC1(O)C=C(OC)CC1;FNGFVWVSMLWGMR-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323284;MM323284;C=C(C#N)C#CC(O)CO;HTHPMIHVAFZESC-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323285;MM323285;C#CC1(F)C=C(OC)CC1;DSMDMDZOUAAARD-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323286;MM323286;C=CC(=C)C#CC(O)CF;XNGCPRMEBTZRLS-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323287;MM323287;C#CC1(C)C=C(CC)OC1;JRIFYRCBMJJQSK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323288;MM323288;C=CC(=O)C#CC(O)CC;UMOQMKKJBZQGDT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323289;MM323289;C#CC1(C)C=C(CN)OC1;LXLXLNWUKNRSCN-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323290;MM323290;C=CC(=O)C#CC(O)CO;OTMSJCZVFGOOEO-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323291;MM323291;C#CC1(C)C=C(CO)OC1;QJOLVYQDVMQTJU-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323292;MM323292;O=CC(=O)C#CC(O)CO;OYMXKIXTXIDPJS-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323293;MM323293;C#CC1(C)C=C(CF)OC1;WVHPNSWOGAFAMG-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323294;MM323294;N#CC(=O)C#CC(O)CO;GIVBWZVXZOADOG-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323295;MM323295;C#CC1(N)C=C(CN)OC1;LVYAIWGXVNORGA-UHFFFAOYSA-N;138.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323296;MM323296;C#CC1(O)C=C(CC)OC1;RPPRURYAWHHLFY-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323297;MM323297;N#CC(=O)C#CC(O)CF;HVWWULIQGWKLPS-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323298;MM323298;C#CC1(O)C=C(CN)OC1;LQMOPKXVNPDQOE-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323299;MM323299;C=C(C#CC(F)CO)C=O;ZFGDBZIVSZELTD-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323300;MM323300;C#CC1(O)C=C(CO)OC1;KMFBFFAECMHXNN-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323301;MM323301;C=C(C#N)C#CC(F)CO;BXTBBNSEHGKPJG-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323302;MM323302;C#CC1(O)C=C(CF)OC1;FVBGDZIAMBEXPM-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323303;MM323303;C=C(C#CC(F)CF)C=O;AIMBRUXPAATXOM-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323304;MM323304;C#CC1(F)C=C(CC)OC1;SVMYTAYAKZWHBA-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323305;MM323305;C=CC(=O)C#CC(F)CF;DAUJJVPOOMERHA-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323306;MM323306;C#CC1(F)C=C(CN)OC1;JZVPDUZTDBGWJL-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323307;MM323307;C=CC(=C)C#CC(C)NC;NLXZTNMIMYJMQP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323308;MM323308;C#CC1(F)C=C(CO)OC1;IHQAAYFHVLELIX-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323309;MM323309;C=C(C#N)C#CC(C)NC;KTKGIFBUGAUBAT-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323310;MM323310;C#CC1(F)C=C(CF)OC1;CJURRYUQQZUUDM-UHFFFAOYSA-N;144.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323311;MM323311;CNC(C)C#CC(=O)C=O;AHHIRERPIQEBPY-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323312;MM323312;C#CC1(C)C=C(CC)CN1;MWOPDQMVKXZGCU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323313;MM323313;C=CC(=C)C#CC(C)OC;WLGAQLWYGCWGKH-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323314;MM323314;C#CC1(C)C=C(CN)CN1;PISYINRHGJBZAA-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323315;MM323315;C=C(C#CC(C)OC)C=O;SCZKRUUEMHAHQF-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323316;MM323316;C#CC1(C)C=C(CO)CN1;MZSVJNNNDUBURK-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323317;MM323317;C=C(C#N)C#CC(C)OC;XETGAGPYSDJIIP-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323318;MM323318;C#CC1(C)C=C(CF)CN1;MDKAIZHNCVHGSD-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323319;MM323319;C=CC(=O)C#CC(C)OC;UEBHLENHWLNZSC-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323320;MM323320;C#CC1(C)C=C(OC)CN1;BLNWALGPKINELB-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323321;MM323321;C#CC(=C)C#CC(C)CC;MGFPPLJQWIULFL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323322;MM323322;C#CC1(C)C=C(CC)CO1;ARXZBCLJBXLVTI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323323;MM323323;C#CC(=C)C#CC(C)CN;IXTOQVBNQXYYFW-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323324;MM323324;C#CC1(C)C=C(CN)CO1;GQZBQEWQKFFKEM-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323325;MM323325;C#CC(=C)C#CC(C)CO;JPSDEDLSUPWNGV-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323326;MM323326;C#CC1(C)C=C(CO)CO1;TXGKPQRUYZIDJP-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323327;MM323327;C#CC(=C)C#CC(C)CF;FNWLVGKCYMICJN-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323328;MM323328;C#CC1(C)C=C(CF)CO1;OTGAEFMMLTXGNT-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323329;MM323329;C#CC(=O)C#CC(C)CC;ISLJGOWSLLXYKD-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323330;MM323330;C#CC1(C)C=C(OC)CO1;DKANKGNXCNJECP-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323331;MM323331;C#CC(=C)C#CC(N)CC;IYEQFJSFLPTBPS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323332;MM323332;C#CC1(C)CNC(NC)=N1;CCQZRSJTSZFDJJ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323333;MM323333;C#CC(=C)C#CC(N)CN;PPYJTUGZPWTWRX-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323334;MM323334;C#CC1(C)CNC(NN)=N1;WCQRFVVWLWVAEP-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323335;MM323335;C#CC(=C)C#CC(O)CC;OQDAVHKYUBLQQE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323336;MM323336;C#CC1(C)CNC(NO)=N1;BIVUIAMXBCABHX-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323337;MM323337;C#CC(=O)C#CC(O)CO;HHIPYELWOXIDGT-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323338;MM323338;C#CC1(C)CNC(OC)=N1;HVLSIKBNXRANIA-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323339;MM323339;C#CC(=O)C#CC(O)CF;NGNGJJXRXQQYDP-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323340;MM323340;C#CC1(C)COC(NC)=N1;WWLVRPKTAYKIND-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323341;MM323341;C#CC(=C)C#CC(F)CO;PJLAEGBUYGWMQQ-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323342;MM323342;COC(C)=CCCCO;GIWXEKLKZLBUPT-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323343;MM323343;C#CC(=O)C#CC(F)CC;VDCUBBYIFHLCDY-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323344;MM323344;C=CC(C)=CCCCO;FCOKDQNKFFNMCM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323345;MM323345;C#CC(=O)C#CC(F)CF;QJSDTQSBPXOGTC-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323346;MM323346;C#CC1(C)C=C(C=C)CC1;AAFVPQRQBLSPSQ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323347;MM323347;C#CC(=C)C#CC(C)OC;XISNSTNTQCPXIQ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323348;MM323348;C#CC1(C)C=C(C=O)CC1;ZTCXSZWFKNJYPY-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323349;MM323349;C#CC(=O)C#CC(C)OC;ILVLWDMQHKWSMJ-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323350;MM323350;C#CC1(C)C=C(C#N)CC1;OJHNZIPCNVHYRI-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323351;MM323351;C=CC(C)C#CC(=C)CC;QWDDOIFKTSSWOF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323352;MM323352;C#CC1(N)C=C(C=C)CC1;JIBHADWZGVOELF-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323353;MM323353;C=CC(C)C#CC(=C)CN;SHELYRFUCVWMRP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323354;MM323354;C#CC1(O)C=C(C=C)CC1;SRMFZJVMVJHTLN-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323355;MM323355;C=CC(C)C#CC(=C)CF;STYVKABYQGUYOT-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323356;MM323356;C#CC1(O)C=C(C=O)CC1;YOBJXTHQFZREFE-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323357;MM323357;C=C(C#CC(C)C=O)CC;MLELTDNTQRZMHK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323358;MM323358;C#CC1(O)C=C(C#N)CC1;DVNIYRAJYXTTKU-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323359;MM323359;C=C(C#CC(C)C#N)CC;OKHJTDAODHPVIM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323360;MM323360;C#CC1(F)C=C(C=C)CC1;QDRCFCBBKJFBOW-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323361;MM323361;C=C(C#CC(C)C#N)CO;SDYGQWWNJZYJKS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323362;MM323362;C#CC1(F)C=C(C=O)CC1;ZCJKVMRKRVJWPO-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323363;MM323363;C=C(C#CC(C)C=O)CF;XQKYPPDLUULAHK-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323364;MM323364;C#CC1(F)C=C(C#N)CC1;VPZJIENUAHWLTR-UHFFFAOYSA-N;135.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323365;MM323365;C=C(C#CC(C)C#N)CF;RPLJEUYJBSTGPR-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323366;MM323366;C#CC1(C)C=C(C=C)OC1;ZABKPXSGEVKSEF-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323367;MM323367;C=CC(C)C#CC(=O)CC;KLDVRHXENYGLMG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323368;MM323368;C#CC1(C)C=C(C=O)OC1;KPWKOTCWINYDBH-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323369;MM323369;C=CC(C)C#CC(=O)CF;MQPSXJINSOMRAE-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323370;MM323370;C#CC1(C)C=C(C#N)OC1;PCUQFGVLHDMCCT-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323371;MM323371;CCC(=O)C#CC(C)C=O;UFZRSMGOWJCGFM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323372;MM323372;C#CC1(O)C=C(C=C)OC1;ZXWQLUCAQSWDBE-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323373;MM323373;CCC(=O)C#CC(C)C#N;LLVOWILQBMMVGR-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323374;MM323374;C#CC1(O)C=C(C=O)OC1;ZMHKYDCBXIPPMX-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323375;MM323375;CC(C#N)C#CC(=O)CF;PAPBODAPMJJEJK-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323376;MM323376;C#CC1(O)C=C(C#N)OC1;LXILXZHKFPDCEV-UHFFFAOYSA-N;135.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323377;MM323377;C=CC(N)C#CC(=C)CC;PTCAWPOQLUJVSO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323378;MM323378;C#CC1(F)C=C(C=C)OC1;QQOYVSXPPBYOBO-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323379;MM323379;C=CC(O)C#CC(=C)CC;LGUZMAJCMBTNTH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323380;MM323380;C#CC1(F)C=C(C=O)OC1;LZUNWFKETMTBTJ-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323381;MM323381;C=C(C#CC(O)C#N)CO;OPUPGBSZLZXWIE-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323382;MM323382;C#CC1(F)C=C(C#N)OC1;VFTIKLRPFNGLPD-UHFFFAOYSA-N;137.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323383;MM323383;C=CC(O)C#CC(=O)CO;XMGGJMIHCSOSAP-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323384;MM323384;C#CC1(C)C=C(C=C)CN1;ZYYNCXHPXGHUIO-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323385;MM323385;N#CC(O)C#CC(=O)CO;HZZINCQAPCCISN-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323386;MM323386;C#CC1(C)C=C(C=O)CN1;BWOKUXDPYFFMPX-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323387;MM323387;O=CC(O)C#CC(=O)CF;CQNFPBAUEBSDNB-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323388;MM323388;C#CC1(C)C=C(C=C)CO1;JBTIGIHWGXWGAQ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323389;MM323389;C=C(C#CC(F)C#N)CF;CKLMZLFVWDDWGE-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323390;MM323390;C#CC1(C)C=C(C=O)CO1;JXALDRVIAKTYML-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323391;MM323391;C=CC(F)C#CC(=O)CF;LKEWBWIKPBPPEM-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323392;MM323392;C#CC1(C)C=C(C#N)CO1;NDJBKTZZRMIGPI-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323393;MM323393;CCC(=O)C#CC(F)C=O;VMVYQLXIOOFVRA-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323394;MM323394;C#CC1=CC(C)(C#C)CC1;HTHXCLWXXWUZCL-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323395;MM323395;CCC(=O)C#CC(F)C#N;RNFFDTNQHQKFFS-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323396;MM323396;C#CC1=CC(N)(C#C)CC1;PHIMNGMTVUDNCO-UHFFFAOYSA-N;131.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323397;MM323397;O=CC(F)C#CC(=O)CO;GUSAMWUEYXGXDC-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323398;MM323398;C#CC1=CC(O)(C#C)CC1;WAWLNAGUHNVPJG-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323399;MM323399;CNC(=N)C#CC(C)C#N;JFXOTDJGSDACEA-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323400;MM323400;C#CC1=CC(F)(C#C)CC1;XSOQCKZKFWIBSY-UHFFFAOYSA-N;134.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323401;MM323401;CC(C#CC(=O)NO)C=O;CBPLWTBSQYAVFS-UHFFFAOYSA-N;141.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323402;MM323402;C#CC1=CC(C)(C#C)CO1;VIOVZORSQUIBHU-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323403;MM323403;C=CC(N)C#CC(=N)NC;PMVFRGIWHYUUFX-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323404;MM323404;C#CC1=CC(O)(C#C)CO1;NPWYDMGBRSHVDG-UHFFFAOYSA-N;134.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323405;MM323405;C=CC(O)C#CC(=N)NN;DQCOORCRIPJDHI-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323406;MM323406;C#CC1=CC(F)(C#C)CO1;VMWVBSKCMVIWBR-UHFFFAOYSA-N;136.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323407;MM323407;CN=C(N)C#CC(O)C=O;YQODIKZOYIENQG-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323408;MM323408;C#CC1=CC(C)(C#C)NC1;IOJLJVSVQWBLDH-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323409;MM323409;CNC(=N)C#CC(O)C#N;QFYBSOFYOZBKIZ-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323410;MM323410;C#CC1=CC(C)(C#C)OC1;YCQHCIVDRBLFIZ-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323411;MM323411;NC(C#CC(O)C=O)=NO;LALTXGBUVNMKSW-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323412;MM323412;CCC1=CC(C)(CC)C=C1;XMVVARYSQCJJDU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323413;MM323413;C=CC(O)C#CC(=O)NO;HPSYOJGNNWJPJZ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323414;MM323414;CCC1(C)C=CC(CN)=C1;KVNJOVLFNZONKW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323415;MM323415;CNC(=O)C#CC(O)C=O;SCBUPJGIRYSAOE-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323416;MM323416;CCC1(C)C=CC(CO)=C1;ZWBHOEBXECSTRH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323417;MM323417;CCC1(C)C=CC(CF)=C1;WKOPQYBHZGMNMM-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323418;MM323418;CNC(=O)C#CC(O)C#N;XRWZNVKSEBMIMH-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323419;MM323419;CCC1=CC(C)(CN)C=C1;FRXBRGQGUBIUOW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323420;MM323420;O=CC(O)C#CC(=O)NO;ZAAGQLHWFXXWRO-UHFFFAOYSA-N;143.1;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323421;MM323421;CC1(CN)C=CC(CN)=C1;FQVHDKBKLVEHJT-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323422;MM323422;C=CC(F)C#CC(=N)NC;UORSUROYWZREQW-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323423;MM323423;CC1(CN)C=CC(CO)=C1;LBVOVOJSRXHUIQ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323424;MM323424;C=CC(F)C#CC(=O)NC;JBMAEZKXSAJKSF-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323425;MM323425;CC1(CN)C=CC(CF)=C1;CMABMCCDKMWLBN-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323426;MM323426;C=CC(F)C#CC(=O)NN;GAFIXSPUDHXCBX-UHFFFAOYSA-N;142.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323427;MM323427;CC(C#N)=CCCCO;PJAPDMYFKRHKTB-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323428;MM323428;C=CC(F)C#CC(=O)NO;KKDMWMDKXOHBQU-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323429;MM323429;CC1(CO)C=CC(CN)=C1;PCVMNTKHPDFAND-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323430;MM323430;O=CC(F)C#CC(=O)NO;XLJJGHXXUKPYKF-UHFFFAOYSA-N;145.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323431;MM323431;C=CC(F)=CCCCO;QXMZGUPKEKANCE-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323432;MM323432;N#CC(F)C#CC(=O)NO;LHCPEVJPUNCQPE-UHFFFAOYSA-N;142.09;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323433;MM323433;O=CC(F)=CCCCO;IDDALUABVZYEFM-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323434;MM323434;C=CC(C)C#CC(=C)OC;QSSZPUOTPXTTCE-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323435;MM323435;CCC1=CC(C)(CF)C=C1;YCGPTWGNAJSSNN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323436;MM323436;C=C(C#CC(C)C#N)OC;QCZVTEFGJNEVNK-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323437;MM323437;CC1(CF)C=CC(CN)=C1;SXJALJQAZLEMJE-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323438;MM323438;COC(=O)C#CC(C)C#N;SIWZMNGZYWRPRY-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323439;MM323439;CC1(CF)C=CC(CO)=C1;CVOSKDOIOKHGPE-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323440;MM323440;COC(=O)C#CC(O)C=O;IKPIHUHUSQPXJN-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323441;MM323441;CC1(CF)C=CC(CF)=C1;YKCMXZYAPNFSRV-UHFFFAOYSA-N;144.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323442;MM323442;COC(=O)C#CC(O)C#N;CQYPMSPCBAIDCU-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323443;MM323443;CCC1=CC(N)(CC)C=C1;YZEQLHOASKALJN-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323444;MM323444;C=C(C#CC(F)C=O)OC;AQELXEZXTWFNFR-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323445;MM323445;CCC1(N)C=CC(CN)=C1;SXFSFAUWPJCDNV-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323446;MM323446;C=C(C#CC(F)C#N)OC;WDGOMJWIDSARRW-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323447;MM323447;CCC1(N)C=CC(CO)=C1;UZIBQCPDFSJAFA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323448;MM323448;COC(=O)C#CC(F)C#N;LYMJSXBJCXDEIY-UHFFFAOYSA-N;141.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323449;MM323449;CCC1(N)C=CC(CF)=C1;QUHOCNDBGRUIMQ-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323450;MM323450;C=CC(=C)C#CC(C)C=C;AYLMJIHICSBGKR-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323451;MM323451;CCC1=CC(N)(CN)C=C1;CHBRVXUBKYTLAB-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323452;MM323452;C=CC(C)C#CC(=C)C=O;GHICLDAMBWOTNB-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323453;MM323453;NCC1=CC(N)(CN)C=C1;LZWZEKNNGPXGTJ-UHFFFAOYSA-N;139.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323454;MM323454;C=CC(C)C#CC(=C)C#N;VQOOLACVVDHYFD-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323455;MM323455;NCC1(N)C=CC(CO)=C1;JKENAQYBBSZUHG-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323456;MM323456;C=CC(=C)C#CC(C)C=O;FMQQPXFZLGNKAJ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323457;MM323457;NCC1(N)C=CC(CF)=C1;ZBAWBDAAFAEUDF-UHFFFAOYSA-N;142.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323458;MM323458;C=CC(=C)C#CC(C)C#N;JFKHMVOLYFANHM-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323459;MM323459;CCC1=CC(N)(CO)C=C1;KBCBYSPTSUVEIR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323460;MM323460;C=C(C#CC(C)C=O)C=O;NQQXRIADJRMKJM-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323461;MM323461;NCC1=CC(N)(CO)C=C1;ZXOSQHQYDOOEKT-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323462;MM323462;C=C(C#CC(C)C#N)C=O;PFEQGTDDVQRMOE-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323463;MM323463;NC1(CO)C=CC(CO)=C1;UHUUZMYCHDYQCG-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323464;MM323464;C=C(C#N)C#CC(C)C=O;WOKRBVMLDSXEBZ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323465;MM323465;NC1(CO)C=CC(CF)=C1;KLZSFDOZLKROIN-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323466;MM323466;C=C(C#N)C#CC(C)C#N;ZCPLBQHRLIYWDM-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323467;MM323467;NCC1=CC(N)(CF)C=C1;XUKWSNWWNSMAKC-UHFFFAOYSA-N;142.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323468;MM323468;C=CC(=O)C#CC(C)C=C;UIRQVQQLSPYHDC-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323469;MM323469;N#CCC1(CCO)CC1;JXJKIAGOCYVWIG-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323470;MM323470;C=CC(=O)C#CC(C)C=O;CLFFBRUYWDXDJJ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323471;MM323471;CCC1(O)C=CC(CN)=C1;YKCFNRJIIFNLQR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323472;MM323472;C=CC(=O)C#CC(C)C#N;HRYBLCUPTITOSF-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323473;MM323473;CCC1(O)C=CC(CO)=C1;BOYCKBCPNHEJDL-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323474;MM323474;CC(C#N)C#CC(=O)C=O;VDIJRIFYOIIJLO-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323475;MM323475;CCC1(O)C=CC(CF)=C1;FGYNKZNYIAJVRI-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323476;MM323476;CC(C#CC(=O)C#N)C=O;MDPWCUMJXGJEMW-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323477;MM323477;CCC1=CC(O)(CN)C=C1;KOHUQSVBHXROFH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323478;MM323478;C=CC(=C)C#CC(N)C=C;YHOZWSJMEMVHJK-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323479;MM323479;NCC1=CC(O)(CN)C=C1;HHLLETVULVNVQB-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323480;MM323480;C=CC(=C)C#CC(O)C=C;LWGNIDVINJWQSU-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323481;MM323481;NCC1(O)C=CC(CO)=C1;KUAPLHSFVWYRLW-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323482;MM323482;C=CC(O)C#CC(=C)C#N;UEFYZSGKICYTEB-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323483;MM323483;NCC1(O)C=CC(CF)=C1;CWNFCLPQJHAMCE-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323484;MM323484;C=CC(=C)C#CC(O)C#N;IGBFZKQJPUMIOS-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323485;MM323485;CCC1=CC(O)(CO)C=C1;NBINBKZUNBIWGW-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323486;MM323486;C=C(C#CC(O)C=O)C=O;BTVNGYVRRSXUNV-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323487;MM323487;NCC1=CC(O)(CO)C=C1;KWYXPDQBIHFYHW-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323488;MM323488;C=C(C#N)C#CC(O)C=O;AHGKTBZNDJEUME-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323489;MM323489;OCC1=CC(O)(CO)C=C1;PUMZKDOBQKNPPI-UHFFFAOYSA-N;142.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323490;MM323490;C=C(C#N)C#CC(O)C#N;DDKNDAZVJCFAOY-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323491;MM323491;NCC1=CC(O)(CF)C=C1;QTWPEPKEGYHUSG-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323492;MM323492;C=CC(=O)C#CC(O)C=O;ZGGCXUSLRDKFOP-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323493;MM323493;OCC1=CC(O)(CF)C=C1;FDGSBIBPZPCMOM-UHFFFAOYSA-N;144.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323494;MM323494;O=CC(=O)C#CC(O)C=O;CAIVQNMXHSBTGI-UHFFFAOYSA-N;140.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323495;MM323495;OC1(CF)C=CC(CF)=C1;NUIGXGBISBLKSR-UHFFFAOYSA-N;146.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323496;MM323496;N#CC(=O)C#CC(O)C=O;GMXHSTJBKAIZAJ-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323497;MM323497;CCC1=CC(F)(CC)C=C1;BSPSVBBDRAMKDP-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323498;MM323498;C=CC(F)C#CC(=C)C=O;GMBPXNCBIGTODX-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323499;MM323499;CCC1(F)C=CC(CN)=C1;CBWUJMUTUWBRPH-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323500;MM323500;C=C(C#CC(F)C#N)C=O;OCRKEJWFRZNKGX-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323501;MM323501;CCC1(F)C=CC(CO)=C1;KANRFSPMDHKYFB-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323502;MM323502;C=C(C#N)C#CC(F)C#N;YIBQQKCKOHOJIC-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323503;MM323503;CCC1(F)C=CC(CF)=C1;ILWUKOQRYIVWTA-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323504;MM323504;C=CC(=O)C#CC(F)C=C;JVIXLHUWKNRESS-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323505;MM323505;CCC1=CC(F)(CN)C=C1;PCTHEMNYGGBUJV-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323506;MM323506;C=CC(F)C#CC(=O)C#N;XIQJRAFAMLEKKT-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323507;MM323507;NCC1=CC(F)(CN)C=C1;RUQNVAZZTHCXNG-UHFFFAOYSA-N;142.18;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323508;MM323508;O=CC(=O)C#CC(F)C=O;XMMBBTHYWYZVIY-UHFFFAOYSA-N;142.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323509;MM323509;NCC1(F)C=CC(CO)=C1;ARQWKTJGOJFTLU-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323510;MM323510;N#CC(=O)C#CC(F)C#N;ALLFNHQEWSEZCR-UHFFFAOYSA-N;136.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323511;MM323511;NCC1(F)C=CC(CF)=C1;JWNRPKXNSJUGAJ-UHFFFAOYSA-N;145.15;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323512;MM323512;C#CC(=C)C#CC(C)C=C;CAWRHKUMYHSTDL-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323513;MM323513;CCC1=CC(F)(CO)C=C1;GNPAGQANAIVMKO-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323514;MM323514;C#CC(=C)C#CC(C)C=O;RJZSKJWREVIXST-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323515;MM323515;NCC1=CC(F)(CO)C=C1;RVZSYWLQNBXHDG-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323516;MM323516;C#CC(=C)C#CC(C)C#N;CBBDUMCXIMLRHV-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323517;MM323517;OCC1(F)C=CC(CF)=C1;NVSUMRKBCZPMED-UHFFFAOYSA-N;146.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323518;MM323518;C#CC(=O)C#CC(C)C=C;RSVORXXGBQLLKP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323519;MM323519;CCC1=CC(F)(CF)C=C1;RKGPBYQULMSJKT-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323520;MM323520;C#CC(=O)C#CC(C)C#N;FHEABELGGLPKLV-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323521;MM323521;NCC1=CC(F)(CF)C=C1;YBZHOUWGCYJTKZ-UHFFFAOYSA-N;145.15;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323522;MM323522;C#CC(=C)C#CC(O)C=C;LEEIRJLTEZNZQM-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323523;MM323523;OCC1=CC(F)(CF)C=C1;ALLURKYXBHUBPJ-UHFFFAOYSA-N;146.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323524;MM323524;CCC1(C)C=CC(OC)=C1;OFBMFRHNDVOKQJ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323525;MM323525;C#CC(=C)C#CC(O)C=O;AQPPSEMVZIOARR-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323526;MM323526;COC1=CC(C)(CN)C=C1;KAFHKOJMMSDURJ-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323527;MM323527;C#CC(=C)C#CC(O)C#N;NAWGZFALPQBKSU-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323528;MM323528;COC1=CC(C)(CO)C=C1;GSXCDSMAYNZSDP-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323529;MM323529;C#CC(=C)C#CC(F)C=C;BUNONHZQMICUJE-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323530;MM323530;COC1=CC(C)(CF)C=C1;CQVTXEWBVVLAPP-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323531;MM323531;C#CC(=C)C#CC(F)C=O;VHKWSKKCNLRDES-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323532;MM323532;CCC1(N)C=CC(OC)=C1;FGVVIPDSFVZZDX-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323533;MM323533;C#CC(=C)C#CC(F)C#N;SSXRPHKBLXLLAJ-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323534;MM323534;COC1=CC(N)(CN)C=C1;BFVHZZWYDKFQLE-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323535;MM323535;C#CC(=O)C#CC(F)C=C;ZQQBXHXNOLACSK-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323536;MM323536;COC1=CC(N)(CO)C=C1;PETDUBIJBMDLSI-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323537;MM323537;C#CC(=O)C#CC(F)C#N;QMISUJPKXCPSQP-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323538;MM323538;CCC1(O)C=CC(OC)=C1;ZWKJKQGZSBXKTP-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323539;MM323539;C#CC(C)C#CC(=C)CC;VJBATUYUCVJHTA-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323540;MM323540;COC1=CC(O)(CN)C=C1;RXLFNGAPQZLHLI-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323541;MM323541;C#CC(C)C#CC(=C)CN;FBSFVAUEMHOHAD-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323542;MM323542;COC1=CC(O)(CO)C=C1;JVGUEAZCVWVXOM-UHFFFAOYSA-N;142.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323543;MM323543;C#CC(C)C#CC(=C)CO;IYSHBWZBFZRPEK-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323544;MM323544;COC1=CC(O)(CF)C=C1;QBPBIILZGFMNHL-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323545;MM323545;C#CC(C)C#CC(=C)CF;SWRFHNBYENVTQO-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323546;MM323546;CCC1(F)C=CC(OC)=C1;FGKDLCVUSBXATQ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323547;MM323547;C#CC(C)C#CC(=O)CC;WHNDTVWTYRZLQF-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323548;MM323548;COC1=CC(F)(CN)C=C1;HMJANJITXLBOAV-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323549;MM323549;C#CC(N)C#CC(=C)CN;XYQKSWZNANLMTP-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323550;MM323550;COC1=CC(F)(CO)C=C1;FMSFUYCDUOINKW-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323551;MM323551;C#CC(O)C#CC(=C)CC;DMEKKRFRKTYXRW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323552;MM323552;COC1=CC(F)(CF)C=C1;PBTFYTYSABZYGI-UHFFFAOYSA-N;146.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323553;MM323553;CCC1=CC(C)(NC)C=C1;QCDADOGIMQTEFT-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323554;MM323554;C#CC(O)C#CC(=C)CO;LUPAJLKWKZAXGN-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323555;MM323555;CNC1(C)C=CC(CN)=C1;DQRSGBPXZVNFDN-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323556;MM323556;C#CC(O)C#CC(=C)CF;QKUXAYBRUUFVGL-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323557;MM323557;CNC1(C)C=CC(CO)=C1;LDBNHLMIBPFXQT-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323558;MM323558;C#CC(O)C#CC(=O)CO;HMHRRFMRFXAMAZ-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323559;MM323559;CNC1(C)C=CC(CF)=C1;YBOUIUNTYCLJQR-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323560;MM323560;C#CC(O)C#CC(=O)CF;WMHGZFCWHPHNCY-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323561;MM323561;CNC1(C)C=CC(OC)=C1;SDJGZBOEYCVUMT-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323562;MM323562;C#CC(F)C#CC(=C)CC;JENGAFDJTKMTTR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323563;MM323563;CCC1=CC(C)(OC)C=C1;BGLMURARCUQVFD-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323564;MM323564;C#CC(F)C#CC(=C)CN;AERBLWQKZSKFFS-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323565;MM323565;COC1(C)C=CC(CN)=C1;RLSNEFKRFPHYMY-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323566;MM323566;C#CC(F)C#CC(=C)CO;CQIOLSCBIKYWHG-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323567;MM323567;COC1(C)C=CC(CO)=C1;RHHMPUDXMJJGKB-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323568;MM323568;C#CC(F)C#CC(=C)CF;SNQOAQSZVBPYJJ-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323569;MM323569;COC1(C)C=CC(CF)=C1;LBCYVVUYAFTLKW-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323570;MM323570;C#CC(F)C#CC(=O)CC;OOXLNZGXGUZSJD-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323571;MM323571;COC1=CC(C)(OC)C=C1;FMJRMUIXAFCASW-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323572;MM323572;C#CC(F)C#CC(=O)CF;FRTLAAPPYXMAJM-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323573;MM323573;CC(=O)N1CC(C=O)C1;WFXXHKMFFNEARJ-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323574;MM323574;C#CC(C)C#CC(=N)NC;VUVSFZCYAMDLMP-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323575;MM323575;CC#CC1=CC(O)CC1;MQUSSUIEASABPG-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323576;MM323576;C#CC(C)C#CC(=O)NC;AOVONHUVYKZBQJ-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323577;MM323577;CC1(CF)C=CC(=NO)N1;IOBCIIHFUPSVNG-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323578;MM323578;C#CC(C)C#CC(=O)NN;WBVWQXVPJDMXHS-UHFFFAOYSA-N;136.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323579;MM323579;C=CC1=CC(C)(CC)C=C1;UZYYXKBDXXNTMY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323580;MM323580;C#CC(C)C#CC(=O)NO;VQDWQNJYFPOGSW-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323581;MM323581;CCC1(C)C=CC(C=O)=C1;JYYZGHSZSBOFCI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323582;MM323582;CCC1(C)C=CC(C#N)=C1;XQRBAADVJPGPBA-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323583;MM323583;C#CC(N)C#CC(=N)NC;AGRABXRXOZISEA-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323584;MM323584;C=CC1=CC(C)(CN)C=C1;FWSZUGCYGSNHSK-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323585;MM323585;C#CC(O)C#CC(=O)NN;RVJBFMUFXHKELU-UHFFFAOYSA-N;138.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323586;MM323586;CC(O)CC#CC1CC1;DTNPPYMLJFEFHC-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323587;MM323587;C#CC(F)C#CC(=O)NC;WOHMQMFWKLSRMN-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323588;MM323588;C#CC(=CC)C1CC1O;PEFFIGWPEYXELY-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323589;MM323589;C#CC(F)C#CC(=O)NO;QRAXERZZIFYNHH-UHFFFAOYSA-N;141.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323590;MM323590;CCC#CCC1CC1O;ATNZRYSYHZVDLM-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323591;MM323591;C#CC(C)C#CC(=C)OC;ZAIGYHSXYOZMNS-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323592;MM323592;C=CC1=CC(C)(CF)C=C1;OEKPMUJAHLEYPC-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323593;MM323593;C#CC(C)C#CC(=O)OC;PXOPUEXJONDHFL-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323594;MM323594;CC1(CF)C=CC(C=O)=C1;AJDPBFRUKGNBTF-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323595;MM323595;C#CC(O)C#CC(=C)OC;TXKJDMRIGGOBDI-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323596;MM323596;CC1(CF)C=CC(C#N)=C1;IZXSHRRLOVGERX-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323597;MM323597;C#CC(O)C#CC(=O)OC;KJOBHRGEOSXKCF-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323598;MM323598;C=CC1=CC(N)(CC)C=C1;BRQHZUTWMMVLAE-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323599;MM323599;C#CC(F)C#CC(=C)OC;GLWOHMHNYLAWIJ-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323600;MM323600;C=CC1=CC(N)(CN)C=C1;KQNJAKDUUAIWND-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323601;MM323601;C#CC(F)C#CC(=O)OC;VPPMFBQQQLIJFX-UHFFFAOYSA-N;140.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323602;MM323602;C=CC1=CC(N)(CO)C=C1;DDAGTWBUGWWVIO-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323603;MM323603;C#CC(C)C#CC(=C)C=C;NREIHVRVGLWFQI-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323604;MM323604;CNC(C=O)C(F)C#N;PJBXMSDXLQTNFJ-UHFFFAOYSA-N;130.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323605;MM323605;C#CC(C)C#CC(=C)C=O;PUKTWZBVHMVSOY-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323606;MM323606;CCC1(O)C=CC(C=O)=C1;DIAPXVVJGZWDKI-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323607;MM323607;C#CC(C)C#CC(=C)C#N;TUJYYPLFONSGIS-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323608;MM323608;CCC1(O)C=CC(C#N)=C1;DUIRXVAQBGNDSD-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323609;MM323609;C=CC1=CC(O)(CN)C=C1;PWXXAZUATMZPAE-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323610;MM323610;C#CC(C)C#CC(=O)C=C;OQTQUTCSRCPFSI-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323611;MM323611;C=CC1=CC(O)(CO)C=C1;QPLJVKURQKOQHG-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323612;MM323612;C#CC(C)C#CC(=O)C#N;HLLOVWYZUJRZTA-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323613;MM323613;O=CC1=CC(O)(CO)C=C1;MOTPBUDKJGUZGB-UHFFFAOYSA-N;140.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323614;MM323614;C#CC(O)C#CC(=C)C=C;XPZLHKIWLGUDOW-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323615;MM323615;N#CC1=CC(O)(CO)C=C1;NKVUHCXXFOSBIW-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323616;MM323616;C#CC(O)C#CC(=C)C#N;BAGPXKLNWQPQQI-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323617;MM323617;C=CC1=CC(F)(CC)C=C1;SNYHELPEGMVILR-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323618;MM323618;C#CC(O)C#CC(=O)C=C;NPHJZQMLEJKWJD-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323619;MM323619;CCC1(F)C=CC(C=O)=C1;PDJVJLHJGJGJRV-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323620;MM323620;C#CC(F)C#CC(=C)C=C;XGDWWLHAZYTHMM-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323621;MM323621;CCC1(F)C=CC(C#N)=C1;ZJMHNXKLTHNNCD-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323622;MM323622;C#CC(F)C#CC(=C)C=O;GJKQTMQJRRFSQC-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323623;MM323623;C=CC1=CC(F)(CN)C=C1;NUXQHMADDBGRDZ-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323624;MM323624;C#CC(F)C#CC(=C)C#N;ZXTOKLQYMPZSES-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323625;MM323625;C=CC1=CC(F)(CO)C=C1;PDUDCADGIDYWMP-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323626;MM323626;C#CC(F)C#CC(=O)C=C;LHLJOZZCNVUCPC-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323627;MM323627;O=CC1=CC(F)(CO)C=C1;HFONAJMDAQYHMU-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323628;MM323628;C#CC(F)C#CC(=O)C#N;OWVLYNNIPZQZBT-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323629;MM323629;N#CC1=CC(F)(CO)C=C1;SWKHAQRQXXCJJN-UHFFFAOYSA-N;139.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323630;MM323630;C#CC(=C)C#CC(C)C#C;QTUVSEYMDUVTQK-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323631;MM323631;C=CC1=CC(F)(CF)C=C1;DUEMTSUQJISBAM-UHFFFAOYSA-N;142.15;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323632;MM323632;C#CC(=O)C#CC(C)C#C;JPEDJNRSGAOELC-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323633;MM323633;O=CC1=CC(F)(CF)C=C1;AWCYVNBFSAXWAF-UHFFFAOYSA-N;144.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323634;MM323634;C#CC(=C)C#CC(O)C#C;SDESIAXAIIMTAG-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323635;MM323635;N#CC1=CC(F)(CF)C=C1;KAKYKPLAQUPNPY-UHFFFAOYSA-N;141.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323636;MM323636;C#CC(=C)C#CC(F)C#C;RAPLFILJJFASHX-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323637;MM323637;C=CC1=CC(C)(NC)C=C1;LKUQUYLSUNZBRR-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323638;MM323638;CNC1(C)C=CC(C=O)=C1;DTDPPTSHIJIFHS-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323639;MM323639;C#CC(=O)C#CC(F)C#C;VGGQFOSTFQLSBP-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323640;MM323640;C=CC1=CC(C)(OC)C=C1;UROKLMADWOBBCU-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323641;MM323641;C=C(C#CC(=C)CC)CC;MRQHDUWPBKJXSY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323642;MM323642;COC1(C)C=CC(C=O)=C1;VIHDQLAEIRHRIA-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323643;MM323643;C=C(C#CC(=C)CN)CC;SUPNRNYCEBRBRO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323644;MM323644;COC1(C)C=CC(C#N)=C1;MXNOVZQYWPIONJ-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323645;MM323645;C=C(C#CC(=C)CO)CC;XFOKVFHLHKAJKZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323646;MM323646;C#CC1=CC(C)(CC)C=C1;VPVYSGZUTLPTOV-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323647;MM323647;C=C(C#CC(=C)CF)CC;IWMZHHHLIVFRAZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323648;MM323648;C#CC1=CC(C)(CN)C=C1;ZFXKNPMNBZKQJS-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323649;MM323649;C=C(C#CC(=C)CF)CO;OYMZGQQOLAKNHQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323650;MM323650;C#CC(=C)C(C#C)CO;DASBOAIZKVRURY-UHFFFAOYSA-N;120.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323651;MM323651;C=C(C#CC(=O)CC)CC;MKRHNOWTGQYTRU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323652;MM323652;C#CC1=CC(C)(CF)C=C1;CIINPBJZHXFOMR-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323653;MM323653;C=C(C#CC(=O)CC)CF;BLHGJKYKOCPAKD-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323654;MM323654;C#CC1=CC(N)(CC)C=C1;WIFMYQYIXXFQCL-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323655;MM323655;C=C(C#CC(=O)CO)CF;OXCNUZMQNSQOMR-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323656;MM323656;C#CC1=CC(N)(CN)C=C1;JKWYLPBKNYBZSX-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323657;MM323657;C=C(C#CC(=O)CF)CF;AZMUUYDURGURCK-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323658;MM323658;C#CC1=CC(N)(CO)C=C1;YEYQQNUKZWMYLF-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323659;MM323659;CCC(=O)C#CC(=O)CC;YMWONGFXCYYAMV-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323660;MM323660;C=CC(=CC)CCCO;JNHGXMQSVJEPDS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323661;MM323661;O=C(C#CC(=O)CO)CO;IEWVAQUWBMOVSY-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323662;MM323662;C#CC1=CC(O)(CN)C=C1;PDOQIQZWTWIOLJ-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323663;MM323663;C=C(C#CC(=N)NC)CN;WMHJXSVIGRBBMD-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323664;MM323664;C#CC1=CC(O)(CO)C=C1;QDPCWVCSUIUQOB-UHFFFAOYSA-N;136.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323665;MM323665;C#CC1=CC(F)(CC)C=C1;HRHSFHLODPBMBR-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323666;MM323666;C=C(C#CC(=N)NO)CN;NZOKLNWWWYIBCN-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323667;MM323667;C#CC1=CC(F)(CN)C=C1;PBHHUMMJWMXMAQ-UHFFFAOYSA-N;137.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323668;MM323668;C=C(C#CC(=O)NC)CN;HCVHFNISTIYNRU-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323669;MM323669;C#CC1=CC(F)(CO)C=C1;UCHBQYSIXQKHPC-UHFFFAOYSA-N;138.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323670;MM323670;C=C(C#CC(=O)NO)CN;ZGVRFPKJJRUHHX-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323671;MM323671;C#CC1=CC(F)(CF)C=C1;AIKJSCFTCGECCL-UHFFFAOYSA-N;140.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323672;MM323672;C=C(C#CC(=O)NN)CO;DNLULCRLBHFDMF-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323673;MM323673;C#CC1=CC(C)(NC)C=C1;AQAISUWRDPMLNX-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323674;MM323674;C=C(C#CC(=O)NO)CO;YXHLKXPRMBIUSB-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323675;MM323675;C#CC1=CC(C)(OC)C=C1;WEWOJRPYOOSRQE-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323676;MM323676;C#CC(C=C(C)CF)CO;CAPLLZUSPVEZRW-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323677;MM323677;C=CC1(C)C=CC(CC)=C1;NLJAPSJFKOSBPJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323678;MM323678;NC(C#CC(=O)CO)=NO;LKJUOBQVXXKABI-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323679;MM323679;C=CC1(C)C=CC(CN)=C1;SUQUGJBWYATNMT-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323680;MM323680;CCC(=O)C#CC(=O)NC;VUSSTVFOIRFZCT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323681;MM323681;C=CC1(C)C=CC(CO)=C1;ZABIYSVUQPGOPV-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323682;MM323682;CCC(=O)C#CC(=O)NO;TUHUNYKWRYTDNU-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323683;MM323683;C=CC1(C)C=CC(CF)=C1;UIGXLXXHUYTFOJ-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323684;MM323684;CNC(=O)C#CC(=O)CO;XXOAWZNFDFFEGH-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323685;MM323685;CCC1=CC(C)(C=O)C=C1;ZSIJLMVJALJREF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323686;MM323686;O=C(C#CC(=O)NO)CO;NMWGKHDLMJTNEJ-UHFFFAOYSA-N;143.1;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323687;MM323687;CCC1=CC(C)(C#N)C=C1;RYQMRBRZKHOEMD-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323688;MM323688;CNC(=O)C#CC(=O)CF;RYXHILSWBICFEH-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323689;MM323689;CC1(C=O)C=CC(CO)=C1;PDGPURMUKBQQIM-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323690;MM323690;O=C(C#CC(=O)NO)CF;GNHHVAZPRJMKRI-UHFFFAOYSA-N;145.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323691;MM323691;CC1(C#N)C=CC(CO)=C1;IIQDYEJWYRJXTG-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323692;MM323692;C=C(C#CC(=C)OC)CC;RGYXGDDLRFNRFH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323693;MM323693;CC1(C=O)C=CC(CF)=C1;GBHPEIRAEISJIX-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323694;MM323694;C=C(C#CC(=C)OC)CN;AYHICUPCRZIARZ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323695;MM323695;CC1(C#N)C=CC(CF)=C1;JTKDYWABPHJLLZ-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323696;MM323696;C=C(C#CC(=O)OC)CF;SZTWBOCOQFHFLU-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323697;MM323697;C=CC1(N)C=CC(CC)=C1;OMNNDEOZOWGUQK-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323698;MM323698;C=C(C#CC(=O)CC)OC;XLCRMKBFPXBUPN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323699;MM323699;C=CC1(N)C=CC(CN)=C1;XEGJTRNTDIWFGZ-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323700;MM323700;C=C(C#CC(=O)CO)OC;SZDAZISMGXFRAK-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323701;MM323701;C=CC1(N)C=CC(CO)=C1;OIBQSCVBYSMFCK-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323702;MM323702;CCC(=O)C#CC(=O)OC;IBVXAIZYCMSYMJ-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323703;MM323703;C=CC1(N)C=CC(CF)=C1;HDZSVBOAQRBDBI-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323704;MM323704;COC(=O)C#CC(=O)CO;YOJQWCSACANHFE-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323705;MM323705;CC=C(C=O)CCCO;SDQRHUXTUXDRDL-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323706;MM323706;CNC(=N)C#CC(=N)NN;YSTKEPSRDGJHSW-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323707;MM323707;C=CC1(O)C=CC(CN)=C1;DMJUSEMNNNIZCL-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323708;MM323708;CNC(=N)C#CC(=N)NO;JCAHJOHYGZOYQC-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323709;MM323709;C=CC1(O)C=CC(CO)=C1;GYTZKDQOVLDODE-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323710;MM323710;CNC(=N)C#CC(=O)NC;RUPFLROGIRQZAB-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323711;MM323711;C=CC1(O)C=CC(CF)=C1;JIRVNPPHHPMVAF-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323712;MM323712;CCC(C)C(C)=C(C)CO;WBUKBPZZJAXJBO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323713;MM323713;CCC1=CC(O)(C=O)C=C1;TUUQDEPMRORMCA-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323714;MM323714;CNC(=O)C#CC(=O)NC;QSFBKMIIBTZYSF-UHFFFAOYSA-N;140.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323715;MM323715;CCC1=CC(O)(C#N)C=C1;OWKXXPKGABDKQV-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323716;MM323716;NNC(=O)C#CC(=O)NN;RPQHWBBMVHZHME-UHFFFAOYSA-N;142.12;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323717;MM323717;O=CC1(O)C=CC(CO)=C1;YPNMGLNABKPPSV-UHFFFAOYSA-N;140.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323718;MM323718;NNC(=O)C#CC(=O)NO;FVRQRCQUPHUPKF-UHFFFAOYSA-N;143.1;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323719;MM323719;N#CC1(O)C=CC(CO)=C1;NLTQYUTYYFOHLG-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323720;MM323720;C=C(CCCO)CCCF;RYULDAJUZLAFIB-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323721;MM323721;O=CC1(O)C=CC(CF)=C1;DMIXHVYREPHFDY-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323722;MM323722;CNC(=O)C#CC(=O)OC;OBLJIEQLJQXOBG-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323723;MM323723;N#CC1(O)C=CC(CF)=C1;PKVGSIIOKASJFV-UHFFFAOYSA-N;139.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323724;MM323724;COC(=O)C#CC(=O)NO;RAJJNQZCYIXQNN-UHFFFAOYSA-N;143.1;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323725;MM323725;C=CC1(F)C=CC(CC)=C1;PXEUMVRVOCNOEX-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323726;MM323726;C=C(C#CC(=C)OC)OC;YALIFFLDYDOFEA-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323727;MM323727;C=CC1(F)C=CC(CN)=C1;JZLHFMPGEDYFJN-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323728;MM323728;C=C(C#CC(=O)OC)OC;IHSDKIUOUWJYJN-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323729;MM323729;C=CC1(F)C=CC(CO)=C1;BJUAQCPRCKKRGW-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323730;MM323730;C=CC(=C)C#CC(=C)CC;ITTMMHSXRZDQHG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323731;MM323731;C=CC1(F)C=CC(CF)=C1;SIFPWIBYWWBWTC-UHFFFAOYSA-N;142.15;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323732;MM323732;C=C(C#CC(=C)CC)C=O;SAYMINWFMIEIAP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323733;MM323733;CCC1=CC(F)(C=O)C=C1;CSELZTPDIYGVHL-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323734;MM323734;C=C(C#N)C#CC(=C)CC;TWXBZSJHEIXRGY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323735;MM323735;CCC1=CC(F)(C#N)C=C1;NXSQTTWKDTWXAE-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323736;MM323736;C=CC(=C)C#CC(=C)CN;TWYXEPKQIOFDCX-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323737;MM323737;O=CC1(F)C=CC(CO)=C1;YNRRMQCBDUACQE-UHFFFAOYSA-N;142.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323738;MM323738;C=C(C#N)C#CC(=C)CO;BTTJZKNEDVYVJF-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323739;MM323739;N#CC1(F)C=CC(CO)=C1;TUMRKCQSEDNGKB-UHFFFAOYSA-N;139.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323740;MM323740;C=C(C#N)C#CC(=C)CF;XQPVYEBHIYNVEZ-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323741;MM323741;O=CC1(F)C=CC(CF)=C1;QMGQCOBBCTWIHU-UHFFFAOYSA-N;144.12;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323742;MM323742;C=CC(=O)C#CC(=C)CC;XLPHLTHJCWQGHR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323743;MM323743;N#CC1(F)C=CC(CF)=C1;XENRLCKSXQTBNU-UHFFFAOYSA-N;141.12;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323744;MM323744;C=C(C#CC(=O)C#N)CC;FAGKGKPVUHJUDX-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323745;MM323745;C=CC1(C)C=CC(OC)=C1;GMXXANBDATVJNH-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323746;MM323746;C=CC(=O)C#CC(=C)CF;YPGGIVPHSLIUFQ-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323747;MM323747;COC1=CC(C)(C=O)C=C1;OTNPJZPNWYTWMU-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323748;MM323748;C=CC(=C)C#CC(=O)CC;IAZXLHKCEGJUEA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323749;MM323749;COC1=CC(C)(C#N)C=C1;DGMFHXPUNCODDF-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323750;MM323750;C=C(C#CC(=O)CC)C=O;UFDUZXNKLMKMJC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323751;MM323751;C=CC1(N)C=CC(OC)=C1;CBQUKEFKMNQHHA-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323752;MM323752;C=C(C#N)C#CC(=O)CC;HZWOWUVQLFEOCS-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323753;MM323753;C=CC1(O)C=CC(OC)=C1;CBPPJEWUWWOOKF-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323754;MM323754;C=CC(=O)C#CC(=O)CC;DYUUBAPHVQLXDB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323755;MM323755;COC1=CC(O)(C=O)C=C1;QUDKTHGMMOXISX-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323756;MM323756;CCC(=O)C#CC(=O)C=O;ICWJSHDYPVSUPS-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323757;MM323757;COC1=CC(O)(C#N)C=C1;KYOFIWGXYZKLJM-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323758;MM323758;CCC(=O)C#CC(=O)C#N;NJXLZLGXYGQVHP-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323759;MM323759;C=CC1(F)C=CC(OC)=C1;JYNGGEUXHGXDRR-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323760;MM323760;C=CC(=O)C#CC(=O)CO;FITRTDJVLAYSGO-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323761;MM323761;COC1=CC(F)(C=O)C=C1;VOQICCZVJVUGPS-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323762;MM323762;N#CC(=O)C#CC(=O)CO;PORAFKMQNVVRPL-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323763;MM323763;COC1=CC(F)(C#N)C=C1;MVMMEWNXAPNKEF-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323764;MM323764;C=CC(=C)C#CC(=N)NC;SSUZTTITQKRADK-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323765;MM323765;C=C(C#N)C#CC(=N)NC;HXVQEECOSWJSNW-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323766;MM323766;NC=C(C=O)CCCO;WEHDGGFHGDJHBF-UHFFFAOYSA-N;129.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323767;MM323767;C=C(C#CC(N)=NO)C=O;YQBNNWBDRSPXNW-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323768;MM323768;C=CC1=CC(C)(C=C)C=C1;UHFDYAYFMMXAJC-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323769;MM323769;C=C(C#N)C#CC(=O)NC;IDCMLZXUPUYUMR-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323770;MM323770;C=CC1(C)C=CC(C=O)=C1;BFECXPKDYNSQTJ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323771;MM323771;C=CC(=C)C#CC(=O)NN;SJTOOVAGNSVYHB-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323772;MM323772;C=CC1(C)C=CC(C#N)=C1;VHZOBQDSIYJIIA-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323773;MM323773;C=CC(=C)C#CC(=O)NO;GGHTVJPUJIDPBF-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323774;MM323774;C=CC1=CC(C)(C=O)C=C1;GFNVCAYQACWXIH-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323775;MM323775;C=CC(=O)C#CC(=O)NO;DSBKZPUSTYYDIR-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323776;MM323776;C=CC1=CC(C)(C#N)C=C1;LLFAEBJZEGTGLE-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323777;MM323777;O=CC(=O)C#CC(=O)NO;TVXJXMNRZRBMRB-UHFFFAOYSA-N;141.08;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323778;MM323778;CC1(C=O)C=CC(C=O)=C1;YPIFTYKZVDYONE-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323779;MM323779;C=CC(=C)C#CC(=C)OC;KCVNLFRQERIMBU-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323780;MM323780;CC1(C#N)C=CC(C=O)=C1;KGOJPXOJLMGWHV-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323781;MM323781;C=C(C#CC(=C)OC)C=O;OXICCIRFWIJQID-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323782;MM323782;CC1(C=O)C=CC(C#N)=C1;VDILSYHZIJNKTQ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323783;MM323783;C=C(C#N)C#CC(=C)OC;BLILXPLPZBVTKU-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323784;MM323784;CC1(C#N)C=CC(C#N)=C1;MANRLHQYIVNRMC-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323785;MM323785;C=CC(=O)C#CC(=C)OC;YKTNDMZVFUCUNE-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323786;MM323786;C=CC1=CC(N)(C=C)C=C1;FLFOHZWTZAGWEW-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323787;MM323787;C=C(C#CC(=O)C#N)OC;FDOHRXCHGNCIRZ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323788;MM323788;O=CC(=CF)CCCO;WWINANPKOYGUOX-UHFFFAOYSA-N;132.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323789;MM323789;C=C(C#N)C#CC(=O)OC;WFMPQIZCFVVZOH-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323790;MM323790;C=CC1(O)C=CC(C=O)=C1;DGSQLSACRDURKL-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323791;MM323791;C=CC1(O)C=CC(C#N)=C1;JCYRYYPIXGULLZ-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323792;MM323792;C#CC(=C)C#CC(=C)CC;VNFKOWDSDCHSTB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323793;MM323793;C=CC1=CC(O)(C=O)C=C1;RSZLWWDHOMEHRC-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323794;MM323794;C#CC(=C)C#CC(=C)CN;CCXKUJQFEYINKA-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323795;MM323795;C=CC1=CC(O)(C#N)C=C1;ZJAGKZWVEXOWJV-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323796;MM323796;C#CC(=C)C#CC(=C)CO;WNVMJEZILKZDCY-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323797;MM323797;O=CC1=CC(O)(C=O)C=C1;PETYJNSLUXJIQT-UHFFFAOYSA-N;138.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323798;MM323798;C#CC(=C)C#CC(=C)CF;XQLAVGMFPOZPOM-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323799;MM323799;N#CC1(O)C=CC(C=O)=C1;JBZVLRMRDDZEKN-UHFFFAOYSA-N;135.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323800;MM323800;C#CC(=O)C#CC(=C)CC;QHIGLLCOWXPLQB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323801;MM323801;N#CC1=CC(O)(C=O)C=C1;KYQWRKSMMXWEGC-UHFFFAOYSA-N;135.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323802;MM323802;C#CC(=O)C#CC(=C)CF;UHVBSCWTTNPACR-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323803;MM323803;N#CC1=CC(O)(C#N)C=C1;PZSXVPGJMXLBTA-UHFFFAOYSA-N;132.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323804;MM323804;C#CC(=C)C#CC(=O)CC;AJVXOAUFGYWAQA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323805;MM323805;C=CC1=CC(F)(C=C)C=C1;IAZKFNRNJSZDHU-UHFFFAOYSA-N;136.17;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323806;MM323806;C#CC(=C)C#CC(=O)CO;ZEHIZYXLOITNQS-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323807;MM323807;C=CC1(F)C=CC(C=O)=C1;IDRZMBHAXCGXKF-UHFFFAOYSA-N;138.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323808;MM323808;C#CC(=C)C#CC(=O)CF;AXMOPTROLAVXKM-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323809;MM323809;C=CC1(F)C=CC(C#N)=C1;ZJIKHZLJQCXCSA-UHFFFAOYSA-N;135.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323810;MM323810;C#CC(=O)C#CC(=O)CC;SUYCJXSQVLKEFN-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323811;MM323811;C=CC1=CC(F)(C=O)C=C1;QSVNOZMGCLCPAB-UHFFFAOYSA-N;138.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323812;MM323812;C#CC(=C)C#CC(=N)NC;HQWLKWMOERSPCQ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323813;MM323813;C=CC1=CC(F)(C#N)C=C1;YQCVSVDJIGYAIB-UHFFFAOYSA-N;135.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323814;MM323814;C#CC(=O)C#CC(N)=NO;OOGPGMLQFGHOKV-UHFFFAOYSA-N;136.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323815;MM323815;O=CC1=CC(F)(C=O)C=C1;FADOHIDCIBKROZ-UHFFFAOYSA-N;140.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323816;MM323816;C#CC(=C)C#CC(=O)NC;LPXNGCHQWWYJDO-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323817;MM323817;N#CC1(F)C=CC(C=O)=C1;RSFJJQXGLBGNHR-UHFFFAOYSA-N;137.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323818;MM323818;C#CC(=O)C#CC(=O)NC;QTWBKDSGYBLLRM-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323819;MM323819;N#CC1=CC(F)(C=O)C=C1;LSFPNDJXGRAURX-UHFFFAOYSA-N;137.11;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323820;MM323820;C#CC(=C)C#CC(=C)OC;JPWNLAAAGWUBHH-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323821;MM323821;N#CC1=CC(F)(C#N)C=C1;FKNHDBCQEGPUJR-UHFFFAOYSA-N;134.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323822;MM323822;C#CC(=O)C#CC(=C)OC;YXFFXAPGOPOGNB-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323823;MM323823;C#CC1=CC(C)(C=C)C=C1;GHZWLJJDDMQLFU-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323824;MM323824;C#CC(=C)C#CC(=O)OC;WPXUCLXUDVJLOA-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323825;MM323825;C#CC1=CC(C)(C=O)C=C1;NHZGAIKVUGDYPH-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323826;MM323826;C=CC(=C)C#CC(=C)C=C;KYNNKOIMBUQZGH-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323827;MM323827;C#CC1=CC(C)(C#N)C=C1;ZFIANESIQBNKFS-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323828;MM323828;C=CC(=C)C#CC(=C)C=O;YTNKWPQHQMOLNB-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323829;MM323829;C#CC1=CC(N)(C=C)C=C1;ASJRSASHGVYVIO-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323830;MM323830;C=C(C#CC(=C)C=O)C=O;YNPPTSXQQGELFU-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323831;MM323831;C=NN1C=NC(C=O)C1;DKRICURCCVQDRR-UHFFFAOYSA-N;125.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323832;MM323832;C=C(C#N)C#CC(=C)C=O;RJSSDDHCTXTIMG-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323833;MM323833;C#CC1=CC(O)(C=O)C=C1;XVGWIAKFVNDHGC-UHFFFAOYSA-N;134.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323834;MM323834;C=C(C#N)C#CC(=C)C#N;QZCRRXLTXOCMMD-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323835;MM323835;C#CC1=CC(O)(C#N)C=C1;ARDRFSSFILNBSF-UHFFFAOYSA-N;131.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323836;MM323836;C=CC(=C)C#CC(=O)C=C;SVNSZDRNDGFIEK-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323837;MM323837;C#CC1=CC(F)(C=C)C=C1;YDXTVGGJQZNORO-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323838;MM323838;C=CC(=C)C#CC(=O)C#N;UJXBYVTYMGRSJX-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323839;MM323839;C#CC1=CC(F)(C=O)C=C1;CMHAYZXNLDKYIV-UHFFFAOYSA-N;136.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323840;MM323840;C=CC(=O)C#CC(=C)C=O;WXFNIYVLOFMADB-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323841;MM323841;C#CC1=CC(F)(C#N)C=C1;DGNXXZXTZBFLRO-UHFFFAOYSA-N;133.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323842;MM323842;C=CC(=O)C#CC(=C)C#N;BVLXXGKYTLYJPI-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323843;MM323843;C#CC1(C)C=CC(CC)=C1;VJIMDWJRLJEDPF-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323844;MM323844;C=C(C#CC(=O)C=O)C=O;BSSBAXIKGYDDLP-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323845;MM323845;C#CC1(C)C=CC(CN)=C1;JSWZAIGAUDDJIR-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323846;MM323846;C=C(C#N)C#CC(=O)C=O;BWXNDYYIGNRIDV-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323847;MM323847;C#CC1(C)C=CC(CO)=C1;MCZUXGYSVNJHPT-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323848;MM323848;C=C(C#N)C#CC(=O)C#N;SVKLVXDDDVTXBK-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323849;MM323849;C#CC1(C)C=CC(CF)=C1;XAUHICCCTHGHEV-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323850;MM323850;C=CC(=O)C#CC(=O)C=C;JTULBLODKORKBE-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323851;MM323851;C#CC1(N)C=CC(CN)=C1;ZVEAEWNSCQEXSB-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323852;MM323852;C=CC(=O)C#CC(=O)C=O;CWSKVXVQRQOGAQ-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323853;MM323853;C#CC1(O)C=CC(CC)=C1;ZGYZAIULWAKGMB-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323854;MM323854;C#CC(=C)C#CC(=C)C=C;GQIRVBMEWKZVDH-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323855;MM323855;C#CC1(O)C=CC(CN)=C1;GFKQIHYIYFXNFV-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323856;MM323856;C#CC(=C)C#CC(=C)C=O;DTZJSLCNNOZSOY-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323857;MM323857;C#CC1(O)C=CC(CO)=C1;UROYAYOHNINUSL-UHFFFAOYSA-N;136.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323858;MM323858;C#CC(=C)C#CC(=C)C#N;KEOSBYOQCMAKQK-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323859;MM323859;C#CC1(O)C=CC(CF)=C1;SBOUSXHMLAPANA-UHFFFAOYSA-N;138.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323860;MM323860;C#CC1(F)C=CC(CC)=C1;UWIAWOYDIQJNQZ-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323861;MM323861;C#CC(=O)C#CC(=C)C=C;SBJIZKWPCWQOPE-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323862;MM323862;C#CC1(F)C=CC(CN)=C1;CDASMQFCGVOMMA-UHFFFAOYSA-N;137.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323863;MM323863;C#CC(=O)C#CC(=C)C#N;ZJWJVORIJSRNFR-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323864;MM323864;C#CC1(F)C=CC(CO)=C1;OXARCNYMTPBNNT-UHFFFAOYSA-N;138.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323865;MM323865;C#CC(=C)C#CC(=O)C=C;KNQVXHAIWPIYSF-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323866;MM323866;C#CC1(F)C=CC(CF)=C1;HUZOUHJPZMWZFG-UHFFFAOYSA-N;140.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323867;MM323867;C#CC(=C)C#CC(=O)C=O;OSTLDEJHBCPACH-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323868;MM323868;C#CC1(C)C=CC(OC)=C1;OJCFWQOKSCOHOQ-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323869;MM323869;C#CC(=C)C#CC(=O)C#N;DSOTYIUHUBPYDU-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323870;MM323870;C#CC1(O)C=CC(OC)=C1;WODPGOBNBVTUQQ-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323871;MM323871;C#CC(=O)C#CC(=O)C=C;XNCSDJYJKXITKQ-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323872;MM323872;C#CC1(F)C=CC(OC)=C1;NQEXCQQWOVEYRN-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323873;MM323873;C#CC(=C)C#CC(=C)C#C;LEAZGDMGMNATTA-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323874;MM323874;C#CC1(C)C=CC(=NO)N1;ZCQRUTMRQICIQX-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323875;MM323875;C#CC(=C)C#CC(=O)C#C;ZTTYIZWBZLDYJN-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323876;MM323876;C#CC1(C)C=CC(C=C)=C1;HJPZDZLZPQHDPW-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323877;MM323877;C#CC(=O)C#CC(=O)C#C;IPPYXRWUXLSUSJ-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323878;MM323878;C#CC1(C)C=CC(C=O)=C1;QUVZRCVQFBDTDZ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323879;MM323879;CC=C(C)C#CC(C)CC;BPXJEQYJPNNPQD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323880;MM323880;C#CC1(C)C=CC(C#N)=C1;NLYVIIBKJBMESW-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323881;MM323881;CCC(C)C#CC(C)=CF;ODHKHSIWQVEIEB-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323882;MM323882;C#CC1(O)C=CC(C=C)=C1;ITUIXNHLORHOEF-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323883;MM323883;CC=C(C)C#CC(C)CN;XPKMSFUEGZDHAF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323884;MM323884;C#CC1(O)C=CC(C=O)=C1;KMDMVSFOIKOMER-UHFFFAOYSA-N;134.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323885;MM323885;CC=C(C)C#CC(C)CO;WJIVQUFXIAGTQP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323886;MM323886;C#CC1(O)C=CC(C#N)=C1;BZZDCETXCBYMQS-UHFFFAOYSA-N;131.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323887;MM323887;CC(C#CC(C)CF)=CF;HFPWAPVMMJZQEX-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323888;MM323888;C#CC1(F)C=CC(C=C)=C1;GOPWBLIFIYMVCC-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323889;MM323889;CC=C(F)C#CC(C)CO;BJEGZDDMPOQRRY-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323890;MM323890;C#CC1(F)C=CC(C=O)=C1;NTLTXNQAUUOKQB-UHFFFAOYSA-N;136.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323891;MM323891;CC=C(C)C#CC(N)CC;LREHZIZLMPWRMS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323892;MM323892;C#CC1(F)C=CC(C#N)=C1;JPXXAOHXZFPQSS-UHFFFAOYSA-N;133.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323893;MM323893;CC=C(C)C#CC(N)CN;CLJXEXGEAPFDBF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323894;MM323894;C#CC1=CC(C)(C#C)C=C1;PRSRJNTYAZQLQG-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323895;MM323895;CC(C#CC(N)CN)=CF;WVAGYPZOQDDXCA-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323896;MM323896;C#CC1=CC(O)(C#C)C=C1;FRNWDRWVYXPCCI-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323897;MM323897;CC=C(F)C#CC(N)CN;WPZMBNCYBSCPMM-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323898;MM323898;C#CC1=CC(F)(C#C)C=C1;ORAZUOSIVSTVRM-UHFFFAOYSA-N;132.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323899;MM323899;CC=C(C)C#CC(O)CC;KTLBCAGVWSPZKV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323900;MM323900;CC1CCC(C)(CF)CC1;KVDBQGQYKWYVJJ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323901;MM323901;CC=C(C)C#CC(O)CN;KPTDUOIXYFASEM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323902;MM323902;NCC1(N)CCC(F)CC1;IODMOMZUTJAUHX-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323903;MM323903;CC(C#CC(O)CN)=CF;GOGPGRPVASULGT-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323904;MM323904;NC1CCC(O)(CO)CC1;YLPLUFVHHFZVQA-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323905;MM323905;CC=C(C)C#CC(O)CF;YTVMAZUWYUSKKN-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323906;MM323906;CCC1(O)CCC(F)CC1;ZELOGVUJSDAGMC-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323907;MM323907;CCC(O)C#CC(F)=CF;XNNFPCNOBJKTHK-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323908;MM323908;CC1CCC(F)(CO)CC1;DVLLHYXBATZKKK-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323909;MM323909;CC=C(C)C#CC(F)CN;BODVKHLFTOTIHR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323910;MM323910;CC1CCC(C)(CN)NC1;WHEQGUDFAOXZFY-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323911;MM323911;CC(C#CC(F)CN)=CF;XRMGBCGANTXJEJ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323912;MM323912;CCC1(C)CCC(F)CO1;GCVYRVYGKKYUDR-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323913;MM323913;CC=C(C)C#CC(F)CF;YJFDMPJGBDDEAS-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323914;MM323914;CCC1(C)OCC(F)CO1;SHBKIWAQPWUGKB-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323915;MM323915;CC(C#CC(F)CF)=CF;QRKHACRXIXCXFL-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323916;MM323916;CCC1(C)CCN(C)CC1;SEPXHXOXMPZTDA-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323917;MM323917;OCC(F)C#CC(F)=CF;CIARJFWHCWEUFG-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323918;MM323918;CCC1(F)CCN(C)CC1;OPHXARZGSMFRDS-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323919;MM323919;CCC(C)C#CC(C)=NN;IKPCKSVLQODTDF-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323920;MM323920;C=CC1(C)CCC(F)CC1;TXCCEZNFKCSDHO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323921;MM323921;C=CC1(F)CCC(C)CC1;AGLBLJBGSXDMBP-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323922;MM323922;CC(C#CC(C)CN)=NO;MQZOERZNOIEIKB-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323923;MM323923;C=C1CCC(C)(CF)CC1;BTQJIMZHYIREGJ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323924;MM323924;CC(C#CC(C)CO)=NO;BSHGWGJOBCUSPV-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323925;MM323925;C=C1CCC(N)(CN)CC1;DEUXLFPKSSMYOX-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323926;MM323926;CC(C#CC(C)CF)=NN;DHRAIOUDGGPYSW-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323927;MM323927;C=C1CCC(O)(CN)CC1;AATWDRXICVEMBE-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323928;MM323928;CCC(O)C#CC(C)=NO;BNYJQHFIGKHPJU-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323929;MM323929;C=C1CCC(F)(CC)CC1;QKGBMQDYJHQYJG-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323930;MM323930;CC(C#CC(O)CO)=NO;QBKHPBCIAPPNRW-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323931;MM323931;CCC1(F)CCC(=O)CC1;FOYZPBOSEASLKJ-UHFFFAOYSA-N;144.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323932;MM323932;C=C(CCCO)COCC;LXSBGGBJUKLNCZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323933;MM323933;CNC1(C)CCC(=O)CC1;WDLNTPLBKIOOJN-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323934;MM323934;CC(C#CC(F)CO)=NO;JNDWTIYFSZIHLI-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323935;MM323935;C=C1CCC(C)(OC)CC1;OEPVZAGDSYXXHA-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323936;MM323936;CC(C#CC(F)CF)=NO;KQCRWNFDKPHFGK-UHFFFAOYSA-N;147.12;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323937;MM323937;COC1(C)CCC(=O)CC1;ZVHTXAFKEOHDMR-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323938;MM323938;CC=C(C)C#CC(C)NC;MDGBCYPXJBQXTN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323939;MM323939;N=C1NCC(N)(CN)CN1;MRQITXMAXXRYPK-UHFFFAOYSA-N;143.19;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323940;MM323940;CNC(C)C#CC(C)=CF;SOQFVEPUHODDIT-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323941;MM323941;CCC1(F)CNC(=N)NC1;LNWHZXXIJXLCIS-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323942;MM323942;CNC(C)C#CC(F)=CF;ZKXHYIISSXEERU-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323943;MM323943;C=C1COC(C)(CC)OC1;PYSPLHHMRSQHNT-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323944;MM323944;CC=C(C)C#CC(C)OC;VPMXSVVCNFBEBL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323945;MM323945;C=CC1(C)CCC(=C)CC1;IYQPTAHHUHPRQV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323946;MM323946;COC(C)C#CC(C)=CF;OVLKRWPCHAMWJP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323947;MM323947;C=C1CCC(C)(C=O)CC1;UVQXSLVEMLKDHS-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323948;MM323948;COC(C)C#CC(C)=NN;AXCGUHMGRBFWGL-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323949;MM323949;C=CC1(C)CCC(=O)CC1;BKHWXHODBDQQGJ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323950;MM323950;COC(C)C#CC(C)=NO;JEDSFJWPTQVMCT-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323951;MM323951;C=CC1(N)CCC(=C)CC1;UZTUJBRDYIDBGU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323952;MM323952;C=CC(C)C#CC(C)=CC;WNFJUSILVKSBNF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323953;MM323953;CNc1cc(C=O)on1;DATKMDKOGDZUTD-UHFFFAOYSA-N;126.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323954;MM323954;C=CC(C)C#CC(C)=CF;GGJKPCVPXMCFRB-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323955;MM323955;O=CC1(O)CCC(=O)CC1;VMQIJFVCUWKFLD-UHFFFAOYSA-N;142.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323956;MM323956;CC=C(C)C#CC(C)C=O;QAVALLKAWLHSHB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323957;MM323957;C=CC1(C)CNC(=N)NC1;OTKHNHTVKXAMGP-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323958;MM323958;CC=C(C)C#CC(C)C#N;FSXDSLZELVGCLN-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323959;MM323959;C=CC1(C)OCC(=C)CO1;ZZJSXVPZBQXXPM-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323960;MM323960;CC(C#CC(C)C#N)=CF;ILQKPPRXUQPPKJ-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323961;MM323961;C=C1COC(C)(C#N)OC1;SRCPJGUDIMAZPU-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323962;MM323962;C=CC(C)C#CC(F)=CF;RFOABWODDRPIMR-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323963;MM323963;C=CC1(C)OCC(=O)CO1;WQWBGTFIOPUOKS-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323964;MM323964;CC=C(F)C#CC(C)C#N;NDTVSDJYPAMEHL-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323965;MM323965;C#CC1(C)OCC(=C)CO1;APEZHVGTQUOVCV-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323966;MM323966;CC(C#CC(F)=CF)C=O;YKOAVKZXZISGKN-UHFFFAOYSA-N;144.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323967;MM323967;CCC1(N)C=CC(N)CC1;SSXQBUHOWZMYMG-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323968;MM323968;CC(C#N)C#CC(F)=CF;ONSSJCLDTCFLLN-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323969;MM323969;NC1C=CC(O)(CO)CC1;QOJQKMKERAOVFT-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323970;MM323970;C=CC(N)C#CC(C)=CC;MHPLHEHBFWZEFO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323971;MM323971;CCC1(C)C=CC(C)NC1;RWQNRBWIANNDAE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323972;MM323972;C=CC(O)C#CC(C)=CC;WFRPYCMDVGMEBD-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323973;MM323973;CC1C=CC(O)(CN)CN1;XTAVFEFQTAMQLH-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323974;MM323974;C=CC(O)C#CC(C)=CF;HBMDBCCHKKFZBC-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323975;MM323975;C=CC1(N)C=CC(C)CC1;ILWIZBMKIGRQBG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323976;MM323976;CC=C(C)C#CC(O)C#N;LXOSNOIKAAKCMC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323977;MM323977;CC1C=CC(O)(C#N)CC1;UDZZWPJIBPHKGE-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323978;MM323978;CC=C(F)C#CC(O)C#N;JEUMFXOAYUMPNG-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323979;MM323979;N#CC1(O)C=CC(F)CC1;VKTAVOKJTKMKBY-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323980;MM323980;O=CC(O)C#CC(F)=CF;UXMPMLTVFIWHRN-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323981;MM323981;C=CC1(F)C=CC(C)CC1;IOPSKTYVFSVMSY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323982;MM323982;N#CC(O)C#CC(F)=CF;AUKGYQXHUXKFLM-UHFFFAOYSA-N;143.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323983;MM323983;CC1C=CC(F)(C=O)CC1;USBHDTOYXHBGJD-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323984;MM323984;C=CC(F)C#CC(C)=CC;SAEBQJAJMLVGCM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323985;MM323985;O=CC1(F)C=CC(O)CC1;DAOSISZDXZRGHR-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323986;MM323986;CC=C(C)C#CC(F)C#N;GEUCWCWMUPLORI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323987;MM323987;C#CC1(N)C=CC(N)CC1;FAIMSHSOYSDFJU-UHFFFAOYSA-N;136.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323988;MM323988;C=CC(C)C#CC(C)=NN;AWRKVGCKLMOOCI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323989;MM323989;C#CC1(F)C=CC(C)CC1;JNBISNILVDRVNU-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323990;MM323990;C=CC(C)C#CC(C)=NO;JOAIOZXHHGSKTJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323991;MM323991;CCC1(C)C=CC(C)C=C1;FFHQRZBRABJRDD-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323992;MM323992;CC1(CF)C=CC(F)C=C1;RAXGXOBJJMSLEH-UHFFFAOYSA-N;144.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323993;MM323993;CC(C#CC(C)C#N)=NO;QZZLUNZSAWAUIL-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323994;MM323994;CCC1(N)C=CC(C)C=C1;CHEAEONBVWITGY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323995;MM323995;CC(C#CC(O)C=O)=NO;PHCLGCIDEJLMIL-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323996;MM323996;CC1C=CC(F)(CN)C=C1;JVFFBPCDBNRYNZ-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323997;MM323997;CC(C#CC(O)C#N)=NO;YCNRWKMQOZZALR-UHFFFAOYSA-N;138.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323998;MM323998;NCC1(F)C=CC(F)C=C1;QPBUMFQCACWGGW-UHFFFAOYSA-N;145.15;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM323999;MM323999;C=CC(F)C#CC(C)=NN;CEKPFEIQWWEWBJ-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324000;MM324000;CNC1(C)C=CC(F)C=C1;BJVJIIKNPZXRIE-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324001;MM324001;C#CC(C)C#CC(C)=CC;ASCRYPNBEXDNIL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324002;MM324002;COC1(C)C=CC(N)C=C1;PGMFKXCAJAALKW-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324003;MM324003;C#CC(C)C#CC(C)=CF;QRGSWGAHGKPMDB-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324004;MM324004;CC1C=CC(C)(C=O)C=C1;ZPMOWOHVCPACPK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324005;MM324005;C#CC(C)C#CC(F)=CF;YYBDRLSIONUIPC-UHFFFAOYSA-N;140.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324006;MM324006;C=CC1(C)C=CC(O)C=C1;YQZWDCOPBUJIGB-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324007;MM324007;C#CC(O)C#CC(C)=CC;FWQWZXGVCSGKOE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324008;MM324008;C=CC1(C)C=CC(F)C=C1;FQPLARVIKWZXBV-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324009;MM324009;C#CC(O)C#CC(F)=CC;CYJHGLBXACOGIJ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324010;MM324010;CC1(C#N)C=CC(F)C=C1;CHEGFCQHMCKLQU-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324011;MM324011;C#CC(O)C#CC(F)=CF;QTEVTLNCMFIRNG-UHFFFAOYSA-N;142.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324012;MM324012;CC1C=CC(O)(C=O)C=C1;JMKARBIMMGAQPH-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324013;MM324013;C#CC(F)C#CC(C)=CC;DSNSPQXIBZLIBE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324014;MM324014;C=CC1(O)C=CC(F)C=C1;ZUQWFMKOVMIPCP-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324015;MM324015;C#CC(F)C#CC(C)=CF;MDFJTJQHBHZZKW-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324016;MM324016;CC1C=CC(F)(C=O)C=C1;PYQHTUGTSMULDV-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324017;MM324017;C#CC(F)C#CC(F)=CF;YUZOIWOASUADSS-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324018;MM324018;C=CC1(F)C=CC(N)C=C1;ZKOZFRVJWRPIQD-UHFFFAOYSA-N;139.17;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324019;MM324019;C#CC(C)C#CC(C)=NN;XTWMFEWGNSPGHC-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324020;MM324020;C#CC1(O)C=CC(N)C=C1;KGHUZWBIONQQGS-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324021;MM324021;C#CC(C)C#CC(C)=NO;BRUXGKAUVYBGBX-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324022;MM324022;C#CC1(F)C=CC(F)C=C1;BCXJMPSHNBNBKO-UHFFFAOYSA-N;140.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324023;MM324023;C#CC(F)C#CC(C)=NN;WVKVVNCWXGGXRK-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324024;MM324024;C=CC1(N)C=CC(=C)C=C1;IYVRPSPUDYMPPZ-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324025;MM324025;C#CC(F)C#CC(C)=NO;QATGIKUTCDWUIH-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324026;MM324026;C=CC1(O)C=CC(=O)C=C1;ZQCLPPOJDUTVRG-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324027;MM324027;C=C(C#CC(C)=CC)CC;GAZQRJNAWHJBBQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324028;MM324028;C#CC1(F)C=CC(=O)C=C1;QYMWOZPQYGJUOH-UHFFFAOYSA-N;136.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324029;MM324029;C=C(C#CC(C)=CF)CC;HXCPPOSEKQLKJO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324030;MM324030;CC(CF)C(C)C1(C)CC1;RYBKPRFLIXXVCU-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324031;MM324031;C=C(C#CC(C)=CC)CN;SGAKHAXQWAGDET-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324032;MM324032;CC(C(N)CO)C1(C)CC1;AUSCOBWWAXEIPR-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324033;MM324033;C=C(C#CC(C)=CC)CO;AWQHMWSNGUJSLG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324034;MM324034;CC(C(N)CF)C1(C)CC1;HWNUQCMIYJAVMX-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324035;MM324035;C=C(C#CC(C)=CC)CF;PLZQZRASUNRUMS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324036;MM324036;CC(CF)C(C)C1(N)CC1;HTENAKKYXKVWGL-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324037;MM324037;C=C(C#CC(F)=CF)CC;UPLZSKUVUARECA-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324038;MM324038;CCC(N)C(C)C1(N)CC1;AYJWNMLGYDRIQN-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324039;MM324039;CC=C(C)C#CC(=O)CC;SXHVHWUZZKJXBQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324040;MM324040;CC(C(N)CO)C1(N)CC1;BPVSNQBSYDWGRU-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324041;MM324041;CCC(=O)C#CC(C)=CF;FECZUPFHGVGMIR-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324042;MM324042;CC(C(N)CF)C1(N)CC1;NJWRDAMAAAORIX-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324043;MM324043;CC=C(F)C#CC(=O)CO;JCFUWGIJLKYFTA-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324044;MM324044;CC(C(O)CO)C1(N)CC1;SFRWKJLKSZMFJV-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324045;MM324045;O=C(C#CC(F)=CF)CO;XINLPZRREMBFBU-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324046;MM324046;CC(CN)C(C)C1(O)CC1;WMZAWGCWEJFYME-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324047;MM324047;C=C(C#CC(C)=NN)CC;BJZDDZFGDNLXLZ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324048;MM324048;CC(C(N)CF)C1(O)CC1;WIZLGFPTCAZQMC-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324049;MM324049;C=C(C#CC(C)=NO)CC;TXYZTMSQRKMPHO-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324050;MM324050;CC(CN)C(C)C1(C)CN1;NSFRKXWRRHPENI-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324051;MM324051;C=C(C#CC(C)=NO)CN;IQJKMYRESZEJOH-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324052;MM324052;CC(C(N)CO)C1(C)CN1;UJLBEZWIADQXLM-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324053;MM324053;C=C(C#CC(C)=NN)CF;BQGNKYKHIWJGBC-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324054;MM324054;CCC(N)C(C)C1(C)CO1;WPDGIZJAWATGSZ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324055;MM324055;CC(C#CC(=O)CO)=NO;YGJQVUACBLZIFP-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324056;MM324056;CNC(C)C(C)C1(C)CO1;OECXFQPQJGDIBD-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324057;MM324057;CNC(=N)C#CC(F)=CF;DIKITXRKDMYINA-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324058;MM324058;C=CC(C)C(C)C1(C)CC1;NLWCSXALKNIIBV-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324059;MM324059;CC=C(C)C#CC(=O)NO;HAQNZHXDQDJIBF-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324060;MM324060;CC(C#N)C(C)C1(C)CC1;SKPURNFZRSMVIH-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324061;MM324061;CC=C(F)C#CC(=O)NN;UBKAJHTZEQAMBB-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324062;MM324062;C=CC(N)C(C)C1(C)CC1;UUXOGULGBFDSCB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324063;MM324063;CC=C(F)C#CC(=O)NO;QGBPSVQQYONSEW-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324064;MM324064;CC(C(O)C=O)C1(C)CC1;FPRGSHAAKPQMNH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324065;MM324065;CC(C(O)C#N)C1(C)CC1;RCBYIYHPANSEQT-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324066;MM324066;CNC(=O)C#CC(C)=NO;IQCQDBDQMLQYHO-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324067;MM324067;C=CC(C)C(C)C1(N)CC1;ADEDFPYRDKTBOL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324068;MM324068;CC(C#CC(=O)NN)=NN;CYKRERCIPZXXJC-UHFFFAOYSA-N;140.15;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324069;MM324069;C=CC(O)C(C)C1(N)CC1;IYUVMXRLOVPLFX-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324070;MM324070;CC(C#CC(=O)NN)=NO;VMUVKAGXEHQOAC-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324071;MM324071;C=CC(C)C(N)C1(N)CC1;JGTSMLIAGOPFGO-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324072;MM324072;CC(C#CC(=O)NO)=NN;CXOJYVWRZBLQMB-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324073;MM324073;C=Nn1cc(NC)nn1;ZYAAPDOBSPNADN-UHFFFAOYSA-N;125.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324074;MM324074;CC(C#CC(=O)NO)=NO;LTQCXIXKUVXELL-UHFFFAOYSA-N;142.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324075;MM324075;CC(C=O)C(C)C1(O)CC1;ANIUJCOGBKHQDG-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324076;MM324076;C=C(C#CC(C)=CC)OC;ARBVXCHHZUDZOL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324077;MM324077;CC(C#N)C(C)C1(O)CC1;HOPKPMZSJHKVGA-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324078;MM324078;COC(=O)C#CC(F)=CF;MZTJPQQAIJLWCH-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324079;MM324079;CC(C=O)C(C)C1(F)CC1;ITYHDSDETMSAGJ-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324080;MM324080;C=C(C#CC(C)=NN)OC;DTVRTBQRNOVAFI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324081;MM324081;CC(N(C)C=O)C1(C)CC1;MMERBYBHDHORDK-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324082;MM324082;C=C(C#CC(C)=NO)OC;JMLGJYPHLWQMMZ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324083;MM324083;CC(N(N)C=N)C1(C)CC1;CRBLRJNFEOGDOA-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324084;MM324084;C=CC(=C)C#CC(C)=CC;PSHGLCHQNGQBCX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324085;MM324085;C=NN(C)C(C)C1(N)CC1;WGZRKBVKVVMZMI-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324086;MM324086;C=CC(=C)C#CC(C)=CF;QELDYJJGXLGCGC-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324087;MM324087;CC(C#N)N(C)C1(C)CC1;TUQJQIPZNBCJHZ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324088;MM324088;C=C(C#CC(C)=CC)C=O;GHMAUIMDOGOYDZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324089;MM324089;C=CC(N)C(C)C1(C)CN1;NSKAEHIOEZPHOO-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324091;MM324091;C=CC(C)C(C)C1(C)CO1;IKMHJOPEAXJGRT-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324090;MM324090;C=C(C#N)C#CC(C)=CC;ZSMOQKQPZCNVGD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324092;MM324092;CC(C#N)C(C)C1(C)CO1;SGTNAPJCVRRSLR-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324093;MM324093;C=C(C#CC(C)=CF)C=O;JQEIBYMMWCJFEG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324094;MM324094;CC(N(C)C=N)C1(C)CO1;JFWTTXVBVOZLKR-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324095;MM324095;C=C(C#N)C#CC(C)=CF;CCEKMAFLUCHDNU-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324096;MM324096;C#CC(N)C(C)C1(C)CC1;NNIQFCRNQPNYRA-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324097;MM324097;C=C(C#CC(F)=CC)C=O;KNFHAQGFAIAENS-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324098;MM324098;C#CC(O)C(C)C1(C)CC1;HBLBWVNTFGBMCZ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324099;MM324099;C=C(C#N)C#CC(F)=CC;GGTCLRDUDYQASU-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324100;MM324100;C#CC(F)C(C)C1(C)CC1;TWMJNSDKDXYRNI-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324101;MM324101;C=C(C#CC(F)=CF)C=O;YPWCLFFLJGHWIE-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324102;MM324102;C#CC(C)C(C)C1(N)CC1;YTTPELXZNSLVQP-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324103;MM324103;C=C(C#N)C#CC(F)=CF;MKBWZAWSPKPECL-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324104;MM324104;C#CC(N)C(C)C1(N)CC1;JIYXBNRZPCGJMR-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324105;MM324105;C=CC(=O)C#CC(C)=CC;ICHXAYZFYIUAKL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324106;MM324106;C#CC(O)C(C)C1(N)CC1;XXNZVIYKRJVIHG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324107;MM324107;C=CC(=O)C#CC(C)=CF;PUUBUSXEOJQUJH-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324108;MM324108;C#CC(N)C(C)C1(O)CC1;WGNVIDSRYPTLLR-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324109;MM324109;CC=C(C)C#CC(=O)C=O;UWHKNVNZDSJLEK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324110;MM324110;C#CC(C)C(C)C1(F)CC1;RDVJZUUQGAELQF-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324111;MM324111;CC=C(C)C#CC(=O)C#N;GSUGVPGBTKEGQQ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324112;MM324112;C#CC(N)C(C)C1(F)CC1;UMBCNPMKFZTUOR-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324113;MM324113;CC(C#CC(=O)C=O)=CF;QMJDCXOFHBRYEO-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324114;MM324114;C#CC(N)C(C)C1(C)CN1;MEBZATGQDYNPHD-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324115;MM324115;CC(C#CC(=O)C#N)=CF;CJIQFBNUQFASHH-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324116;MM324116;C#CC(C)C(C)C1(C)CO1;HHIXGJWLVPDQDV-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324117;MM324117;C=CC(=O)C#CC(F)=CC;MRRHEAQFIMLODY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324118;MM324118;C=C(CC)C(C)C1(C)CC1;ZJSBZCNBLYMEKB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324119;MM324119;CC1=CC=C(CO)CC1;AECHRZAJDIOPLX-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324120;MM324120;C=CC(=O)C#CC(F)=CF;BBFZQHUFAUBLKF-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324121;MM324121;CCC(=O)C(C)C1(C)CC1;NVEFMONTEYVPSA-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324122;MM324122;CC=C(F)C#CC(=O)C=O;YYMJCZPZWQLZHP-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324123;MM324123;C=C(CN)C(N)C1(C)CC1;VKGOPPFWRZYQKG-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324124;MM324124;CC=C(F)C#CC(=O)C#N;UWGLFAJXMVZIDP-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324125;MM324125;C=C(CF)C(N)C1(C)CC1;QJFXVXZQHOZMIZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324126;MM324126;N#CC(=O)C#CC(F)=CF;AOKRDNSJYGTWRC-UHFFFAOYSA-N;141.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324127;MM324127;C=C(CC)C(C)C1(N)CC1;SCKHLGNOBAUEMV-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324128;MM324128;C=CC(=C)C#CC(C)=NN;BBDKAQYXJNILBT-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324129;MM324129;C=C(CN)C(C)C1(N)CC1;NHKSQZYCOOBZSU-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324130;MM324130;C=CC(=C)C#CC(C)=NO;NPIOWAYIOFRONJ-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324131;MM324131;C=C(CN)C(C)C1(O)CC1;QZHJMYWCOCKPMQ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324132;MM324132;C=CC(=O)C#CC(C)=NO;HREMLDFXVNBUTI-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324134;MM324134;C=C(CF)C(C)C1(O)CC1;JRPUIAQYKOOVEI-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324133;MM324133;CC(C#CC(=O)C=O)=NO;SMQHCHBHEBAYEY-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324135;MM324135;C#CC(=C)C#CC(C)=CC;WTKFCEKLMIXNCI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324136;MM324136;OCC1=CC=C(F)CC1;GHUMPSWNLWNWKE-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324137;MM324137;C#CC(=C)C#CC(C)=CF;DGMNQOVKNIBUGP-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324138;MM324138;CC(C(=N)NO)C1(C)CN1;QGQREVVDPNTCQL-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324139;MM324139;C#CC(=C)C#CC(F)=CC;OVPWPQAJUKYYET-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324140;MM324140;C=CC(=C)C(C)C1(C)CC1;YRPXCWSGYRQELQ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324141;MM324141;C#CC(=C)C#CC(F)=CF;DEHWFYJVZFCYCJ-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324142;MM324142;C=C(C=O)C(C)C1(C)CC1;QZIDZMYUAUYFAJ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324143;MM324143;C#CC(=O)C#CC(C)=CC;HEHFRIWNSNOHFD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324144;MM324144;C=C(C#N)C(C)C1(C)CC1;VRLITMWXSVXSGL-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324145;MM324145;C#CC(=O)C#CC(F)=CC;DVWNGFDCWMRESH-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324146;MM324146;C=CC(=O)C(C)C1(C)CC1;PJVAKJGENINCLJ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324147;MM324147;C#CC(=O)C#CC(F)=CF;IBCPTIJXUXCYQZ-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324148;MM324148;CC(C(=O)C=O)C1(C)CC1;CMNGBYXTBYCHSI-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324149;MM324149;C#CC(=C)C#CC(C)=NN;CMIUIWHNURJCTF-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324150;MM324150;CC(C(=O)C#N)C1(C)CC1;MIXQXYDOGRZKJK-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324151;MM324151;C#CC(=C)C#CC(C)=NO;ZBYPTEXBVOINHD-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324152;MM324152;C=CC(=C)C(C)C1(N)CC1;BVGSVRMTWPWRAL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324153;MM324153;CC=C(C)C#CC(C)=CC;XNXUVIQXKVKKGS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324154;MM324154;OCC1=CCC(F)=CC1;OTIVVXJBDVWJGF-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324155;MM324155;CC=C(C)C#CC(C)=CF;WEQMBYOXSPJUFB-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324156;MM324156;C=C(C=O)C(C)C1(O)CC1;NLYJHONXAAJZRJ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324157;MM324157;CC=C(C)C#CC(F)=CC;ILUDSWHVRQAXEM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324158;MM324158;C=C(C#N)C(C)C1(O)CC1;WSOHCATZJMRRBQ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324159;MM324159;CC=C(C)C#CC(F)=CF;YBUBDMNWSCFDLS-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324160;MM324160;CC(C(=O)C#N)C1(O)CC1;XSFKBHKDXIBFQC-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324161;MM324161;CC(C#CC(F)=CF)=CF;BMTSFKANSOPVPA-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324162;MM324162;C=CC(=C)C(C)C1(F)CC1;PCBGQUKGZLROJM-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324163;MM324163;CC=C(F)C#CC(F)=CC;PJIUBFVRGDQBFP-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324164;MM324164;C=C(C#N)C(C)C1(F)CC1;MHBHJMJBGGWRII-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324165;MM324165;CC=C(F)C#CC(F)=CF;PXGAVWGPBUQXOS-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324166;MM324166;C=C(C#N)C(C)C1(C)CO1;LDBBIHABLIIEHF-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324167;MM324167;CC=C(C)C#CC(C)=NN;JGOYAFMBOMEBMN-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324168;MM324168;CC(C(=O)C=O)C1(C)CO1;ISADRQNPLHWACJ-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324169;MM324169;CC=C(C)C#CC(C)=NO;GPHACNKIUMNGHT-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324170;MM324170;C#CC(=C)C(C)C1(C)CC1;HLCAKHNPSHYHKA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324171;MM324171;CC(C#CC(C)=NN)=CF;AXVGTZKVQNZGMI-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324172;MM324172;C#CC(=O)C(C)C1(C)CC1;HNPNOTJTAXIRRV-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324173;MM324173;CCC(C)=CCC(C)CC;KZSCCEKMKDKMDO-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324174;MM324174;C#CC(=C)C(C)C1(N)CC1;DLRNJYALJHIXFM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324175;MM324175;CCC(C)CC=C(C)CN;VAJAROZFARPVDE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324176;MM324176;CCOC=CCCCO;OTOFMCNKBVCMHG-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324177;MM324177;CCC(C)=CCC(C)CN;SBNYKEXWFZZWCQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324178;MM324178;C#CC(=O)C(C)C1(O)CC1;FPHBTYPZRUUJLT-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324179;MM324179;CC(=CCC(C)CN)CN;ZVWJWINIEBAUSL-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324180;MM324180;C#CC(=N)N(C)C1(C)CC1;SRQRNYFDWRGIRN-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324181;MM324181;CC(=CCC(C)CN)CO;YYZOFVOCSHNENA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324182;MM324182;C#CC(=O)N(C)C1(C)CC1;YCTNABLLHVZYSJ-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324183;MM324183;CC(=CCC(C)CN)CF;YUYPTDKSYZUFOA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324184;MM324184;C#CC(=C)C(N)C1(C)CN1;PYUPSCWUBAFGNF-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324185;MM324185;C=C(CCC=O)CCCO;UVIAWLWUUFFQHN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324186;MM324186;C#CC(=C)C(C)C1(C)CO1;KEMYLNGVXQVBCB-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324187;MM324187;CC(=CCC=O)CCCO;JGCMOEYODPPLLE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324188;MM324188;C#CC(=O)C(C)C1(C)CO1;PWNNRIFSNDEPTA-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324189;MM324189;C=C(C(C)CC)C1(C)CC1;HOUYNFBMQORIBR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324190;MM324190;CCC(C)=CCC(C)CF;DHHCPDGKFLPAHM-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324191;MM324191;C=C(C(C)CN)C1(C)CC1;XNMZXVFWQPPJGY-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324192;MM324192;CC(=CCC(C)CF)CN;YJMLDERWQMCKOC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324193;MM324193;C=C(C(N)CO)C1(C)CC1;NCMKMOGHYGQRGU-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324194;MM324194;CC(=CCC(C)CF)CF;JTMMFOSOCWCWIO-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324195;MM324195;C=C(C(C)CN)C1(N)CC1;MMBCPTSTZMDJPM-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324196;MM324196;CCC(F)=CCC(C)CN;BDPVAHBZKPIOAJ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324197;MM324197;C=C(C(N)CN)C1(N)CC1;IABLICYBUKOVIT-UHFFFAOYSA-N;141.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324198;MM324198;CC(CN)CC=C(F)CF;NDRANYIUSMCLCV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324199;MM324199;C=C(C(O)CF)C1(N)CC1;NRRSPVCXCHMBRP-UHFFFAOYSA-N;145.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324200;MM324200;CCC(C)=CCC(N)CC;PKVBHNTZQPAVFF-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324201;MM324201;C=C(C(C)CN)C1(O)CC1;VJGUBBVGESEAQU-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324202;MM324202;CCC(N)CC=C(C)CN;DFGYSNQOVOBCQY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324203;MM324203;C=C(C(C)CO)C1(O)CC1;PGPAZNVKRLQKGW-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324204;MM324204;CCC(N)CC=C(C)CO;FGKQJQUPFLFASS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324205;MM324205;C=C(C(N)CN)C1(O)CC1;GHAPYTVKVVJKEH-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324206;MM324206;CCC(N)CC=C(C)CF;VKJYLRJFUSBQGJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324207;MM324207;C=C(C(C)CC)C1(F)CC1;VBXRHOFGVYVRGZ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324208;MM324208;CCC(C)=CCC(N)CN;WXGSEYMPCPBTEG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324209;MM324209;C=C(C(N)CN)C1(F)CC1;APVRTGOYIANCIV-UHFFFAOYSA-N;144.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324210;MM324210;CC(=CCC(N)CN)CN;LJVZOPIDKQQWKR-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324211;MM324211;C=C(C(N)CC)C1(C)CN1;CFPWWZNDLVDSNM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324212;MM324212;C=C(C(N)CC)C1(C)CO1;KJQKXJWAMDGZID-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324213;MM324213;CC(=CCC(N)CN)CF;IDEFFMUCGZDYDQ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324214;MM324214;C=CC(C)C(=C)C1(C)CC1;JUTTVGRDRMPPKI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324215;MM324215;CCC(C)=CCC(N)CO;MIWNZBBIWAKSNJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324216;MM324216;C=C(C(C)C#N)C1(C)CC1;VFVLINJPYBKCSV-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324217;MM324217;CC(=CCC(N)CO)CN;FSXUAEJKMDFAKD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324218;MM324218;C=C(C(O)C=O)C1(C)CC1;HWRRCKZDCZECLW-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324219;MM324219;CCC(C)=CCC(N)CF;CZHQVMNDODEKGR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324220;MM324220;C=CC(F)C(=C)C1(C)CC1;BNVRXWBOUAWUDY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324221;MM324221;CC(=CCC(N)CF)CN;JZMZUPKBXMQEET-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324222;MM324222;C=CC(C)C(=C)C1(N)CC1;VTMJTJSZYFBDJL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324223;MM324223;CCC(F)=CCC(N)CC;FYSXTNZXGDBNLO-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324224;MM324224;C=C(C(C)C#N)C1(O)CC1;PJEAZPJRGBMYSS-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324225;MM324225;CCC(N)CC=C(F)CF;XVQOAEFXDVKLCJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324226;MM324226;C=C(C(C)C#N)C1(F)CC1;YADPWCHJJDLLKP-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324227;MM324227;NCC(N)CC=C(F)CF;ZKEZBCDNFYMEKC-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324228;MM324228;C=CC(C)C(=C)C1(C)CO1;HYXVTJXSIVQSFJ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324229;MM324229;CCC(F)=CCC(N)CF;ZOUMNLRGADNILQ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324230;MM324230;C=C(C(C)C#N)C1(C)CO1;IOABZMASCMLSSA-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324231;MM324231;NC(CF)CC=C(F)CF;VQNBTUBYEUKZBE-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324232;MM324232;C=CC(F)C(=C)C1(C)CO1;QSKKABPSDDUXBF-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324233;MM324233;C=C(CCCO)C(F)CC;IOOHSENDUNEAGV-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324234;MM324234;C#CC(O)C(=C)C1(N)CC1;IRRDDWGBSSJZTR-UHFFFAOYSA-N;137.18;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324235;MM324235;CCC(O)CC=C(C)CN;PGTLMRGCCLXHCI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324236;MM324236;C#CC(O)C(=C)C1(C)CO1;RIFSQLVLGTZJFF-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324237;MM324237;C=C(CC)C(=C)C1(C)CC1;BFPLEOVJEWYRQZ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324238;MM324238;C=C(CCCO)C(F)CF;RENUJTWKWNLQFE-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324239;MM324239;C=C(CN)C(=C)C1(C)CC1;SSQIHTQRSKVODN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324240;MM324240;C=C(CCCO)C(C)OC;AGEVOUYZQISGMW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324241;MM324241;C=C(CF)C(=C)C1(C)CC1;UGLDSYZZCVUHDI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324242;MM324242;CCC(C)=CCC(O)CN;GUCKGXLNXCSKRO-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324243;MM324243;C=C(C(=O)CO)C1(C)CC1;SCRMKOAWHHQFDO-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324244;MM324244;CCC(C)=CCC(O)CO;VLHOQXTYCFQEAG-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324245;MM324245;C=C(C(=O)CF)C1(C)CC1;RBNIOUVWIVKWGO-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324246;MM324246;CC(=CCC(O)CO)CO;CILULWAQQUTOMA-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324247;MM324247;C=CCC=CCCCO;WDJRZKZMSXSLFQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324248;MM324248;CCC(C)=CCC(O)CF;ALZCWQGWUNERQG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324249;MM324249;C=C(C(=O)NC)C1(N)CC1;RDTCOWMYCKUGGY-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324250;MM324250;CC(=CCC(O)CF)CN;JFHMNLPCSROSPR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324251;MM324251;C=C(C(=O)OC)C1(C)CC1;XCSQNJJBOYOHHT-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324252;MM324252;CC(=CCC(O)CF)CF;DIWQDPXQLINAFD-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324253;MM324253;C=C(C(=O)OC)C1(N)CC1;HOUJMVCNNWIETF-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324254;MM324254;CCC(O)CC=C(F)CF;NQEXJTDBBJQXHN-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324255;MM324255;C=C(C=O)C(=C)C1(C)CC1;UAWKZGQGLLAMEX-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324256;MM324256;NCC(F)=CCC(O)CN;BEUNYRUUIHSLEP-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324257;MM324257;C=C(C(=O)C#N)C1(C)CC1;JVVZSTGRZVRQMY-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324258;MM324258;CCC(F)=CCC(O)CO;AXWIUOYVFLORGZ-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324259;MM324259;C=C(C(=O)C#N)C1(O)CC1;GBVJGQNPKSGPPO-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324260;MM324260;OCC(F)=CCC(O)CF;VMILSCANZZPEBO-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324261;MM324261;C=CC(=O)C(=C)C1(C)CN1;JMUXXWFHZSSLEH-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324262;MM324262;C=C(C(=O)C=O)C1(C)CN1;USYRCYZWBRQYEO-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324263;MM324263;CCC(C)=CCC(F)CC;DIOFRJBNJWACCC-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324264;MM324264;C=C(C(=O)C#N)C1(C)CN1;KCPJJUSOSMKPEN-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324265;MM324265;CCC(F)CC=C(C)CN;VVNAGKZPDAIJMT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324266;MM324266;C#CC(=O)C(=C)C1(C)CC1;NRFVMMYCGKITOB-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324267;MM324267;CCC(C)=CCC(F)CN;XJQCTENVVRNMHJ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324268;MM324268;C#CC(=O)C(=C)C1(O)CC1;FXXOPAZQRXRQIQ-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324269;MM324269;CC(=CCC(F)CN)CN;OEUZXOVUJYXNLB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324270;MM324270;C#CC(=O)C(=C)C1(F)CC1;JYRCPUKTZHFKEJ-UHFFFAOYSA-N;138.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324271;MM324271;CCC(C)=CCC(F)CO;UOBBCJPAENYLKA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324272;MM324272;O=CCC=CCCCO;TYBCJNNLKYIHFD-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324273;MM324273;CC(=CCC(F)CO)CF;WFGQRLHEIUJOQM-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324274;MM324274;CCC(CC)CC1(C)CC1;VRPGGQWIBGKHJP-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324275;MM324275;CCC(C)=CCC(F)CF;SULAYLSDXQYABX-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324276;MM324276;CCC(CN)CC1(C)CC1;VIPLUGUZPQQOGV-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324277;MM324277;CC(=CCC(F)CF)CN;ONHZRJJSRQGASW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324278;MM324278;N#CCC=CCCCO;NJKCXILJRAZIPK-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324279;MM324279;CC(=CCC(F)CF)CF;XUBNUWJJZJDZSX-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324280;MM324280;CCC(CC)CC1(N)CC1;CZMCADAPKJCENT-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324281;MM324281;CCC(F)CC=C(F)CO;NYQXMNAJVRWNOB-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324282;MM324282;CCC(CN)CC1(N)CC1;LOOBYVLNUWEGGE-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324283;MM324283;CCC(F)=CCC(F)CN;OBFXFPQAORCMJK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324284;MM324284;CCC(CO)CC1(N)CC1;LULMRMKLMPOZJH-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324285;MM324285;NCC(F)=CCC(F)CN;GVLQZZGYZARDTJ-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324286;MM324286;NCC(CN)CC1(N)CC1;HCYJIMPIXXPCHV-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324287;MM324287;NCC(CO)CC1(N)CC1;HVIIPJIDMAORIW-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324288;MM324288;CCC(F)=CCC(F)CO;LBKHJCRDDPQAPD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324289;MM324289;NCC(CF)CC1(N)CC1;MBUHRPYAOSTDBG-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324290;MM324290;CCC(F)=CCC(F)CF;ONZGFBYEGWFKRB-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324291;MM324291;NC1(CC(CO)CO)CC1;JQYVVKAQSJPVRL-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324292;MM324292;COC(C)=CCC(C)CN;PCQLHXYVEGRPNX-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324293;MM324293;C=COC=CCCCO;MYDXOEFGUVMEHB-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324294;MM324294;C=CC(C)C(=C)CCCO;VAXRXWZZOXGEFQ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324295;MM324295;CCC(CN)CC1(O)CC1;IBYFLHIIQANPEL-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324296;MM324296;CCC(N)CC=C(C)OC;KSDKPKDHDCDKCD-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324297;MM324297;CCC(CO)CC1(O)CC1;ZVTFSFKNFRITBV-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324298;MM324298;COC(C)=CCC(N)CN;OFKAWGMNAIAHLG-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324299;MM324299;NCC(CN)CC1(O)CC1;ZVXLNNYTRNSPOT-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324300;MM324300;COC(C)=CCC(N)CF;ZXHWDRAKKAKKNR-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324301;MM324301;OCC(CO)CC1(O)CC1;MVVRPOWROJXXRX-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324302;MM324302;CCC(O)CC=C(C)OC;NOXYPFYUHYPZNK-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324303;MM324303;CCC(CC)CC1(F)CC1;WEQMXBHFQRKLOP-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324304;MM324304;COC(C)=CCC(F)CN;QOAQALKFZBUEKC-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324305;MM324305;CCC(CN)CC1(F)CC1;QNPUBAGRFISFCU-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324306;MM324306;CCC(C)=CCC(C)NC;DGKNNOKLGDYZAB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324307;MM324307;NCC(CN)CC1(F)CC1;HBNNFYQVWJKFIS-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324308;MM324308;CNC(C)CC=C(C)CN;RSUNEIAZBPLOJH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324309;MM324309;CNC(CN)CC1(C)CC1;LRZNBXFDVQFJPC-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324310;MM324310;CNC(C)CC=C(C)CO;STSFGCGKTUWHDO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324311;MM324311;CCC(CC1(N)CC1)NC;SGNVAJXIRILMNM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324312;MM324312;CNC(C)CC=C(C)CF;WYNBHCDEYUBNBB-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324313;MM324313;CNC(CN)CC1(N)CC1;RAFAMSDFSKUREB-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324314;MM324314;CCC(CC1(O)CC1)NC;UGVYMPMZGJFXRN-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324315;MM324315;CCC(F)=CCC(C)NC;ISRIONJIWIUYGU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324316;MM324316;CNC(CF)CC1(O)CC1;HGANUURNMPXWSC-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324317;MM324317;CNC(C)CC=C(F)CN;OVKPVOPOBVUBNA-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324318;MM324318;CCC(CC1(F)CC1)NC;CPEMYCMQMXDZQV-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324319;MM324319;CNC(C)CC=C(F)CF;YWFCWEUXIZVLJC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324320;MM324320;CNC(CN)CC1(F)CC1;XEBJTMNDNXROCE-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324321;MM324321;CCC(C)=CCC(C)OC;QDXLUBGRYWSIOO-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324322;MM324322;CCC(CC1(C)CC1)OC;IQDQLWYARSJHBH-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324323;MM324323;COC(C)CC=C(C)CN;DFPFXTKGUXCFCN-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324324;MM324324;COC(CN)CC1(C)CC1;BYESPXVDLHRJMV-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324325;MM324325;COC(C)CC=C(C)CF;CPXFLWGPACXEDP-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324326;MM324326;COC(CO)CC1(C)CC1;COTWNANMIANVLB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324327;MM324327;COC(C)=CCC(C)OC;VXGOOQAJPFEIAV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324328;MM324328;CCC(CC1(O)CC1)OC;HRBIEHQTAWEJRP-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324329;MM324329;CC(=NO)NCC(O)CN;MMXIAJKFSNRRAO-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324330;MM324330;CCC(CC1(F)CC1)OC;YRIZDYGMBOFSLB-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324331;MM324331;CC(=NN)NCC(O)CO;PKKVMAAGFFCFKU-UHFFFAOYSA-N;147.18;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324332;MM324332;COC(CN)CC1(F)CC1;MLWPCDYBSNYRKF-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324333;MM324333;C=C(CCCO)C(C)C=O;UDOOJSICUQWEDM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324334;MM324334;COC(CC1(N)CC1)OC;XPFKYKMJGLVRLO-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324335;MM324335;CCC(C)=NNC(C)CC;PSEJHDMQAHLTJM-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324336;MM324336;CCC(CC)NC1(C)CC1;GUJQHQVRTUYCGQ-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324337;MM324337;C=C(CCCO)C(F)C#N;ZLEINZMQVNLBJH-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324338;MM324338;CCC(CN)NC1(C)CC1;XTKGVTXDKUQZLY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324339;MM324339;CC(CF)=NNC(C)CF;YRTIZNSLXUMUGA-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324340;MM324340;CCC(CO)NC1(C)CC1;OXWHKWCBDDBFKQ-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324341;MM324341;CCC(C)=COC(C)CC;WPQVZFRJXUQSCJ-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324342;MM324342;CC1(NC(CN)CN)CC1;FQWAHGTVMXYCFD-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324343;MM324343;CCC(C)OC=C(C)CF;PRTCHSJQNPBKRP-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324344;MM324344;CCC(CC)OC1(C)CC1;JZAIMTVBRISEJN-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324345;MM324345;CC(=COC(C)CN)CN;PRZNARGEGJTWBH-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324346;MM324346;CCC(CN)OC1(C)CC1;WRHNYXMCTRICMR-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324347;MM324347;CCC(C)=COC(C)CO;NJSQAHMXDNVDTF-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324348;MM324348;CCC(CO)OC1(C)CC1;CHISVKKMZUHSHX-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324349;MM324349;CC(=COC(C)CO)CO;JOLBSVLABVDKCR-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324350;MM324350;CC1(OC(CN)CN)CC1;DIPQVKLEGVCRKF-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324351;MM324351;CC(CN)OC=C(F)CO;RJGVMRKXEMMZJZ-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324352;MM324352;CC1(OC(CN)CO)CC1;YYXNACHZSWZUHR-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324353;MM324353;CC(CN)OC=C(F)CF;PLQUVZASINDQJO-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324354;MM324354;CC1(OC(CN)CF)CC1;NZMOUMDIHMUHOV-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324355;MM324355;CCC(F)=COC(C)CO;IOTDVKRTDWWYGO-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324356;MM324356;CCC(OC)OC1(C)CC1;UZLZSQJCWVJYJX-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324357;MM324357;CCC(C)OC=C(C)OC;QLPCLPSREGZAIN-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324358;MM324358;COC(CN)OC1(C)CC1;DNNABQCFOZPUCG-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324359;MM324359;COC(C)=COC(C)CN;AAGUTIDWNUSLJN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324360;MM324360;COC(CF)OC1(C)CC1;AUQGZHNIFFFDDU-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324361;MM324361;COC(C)=COC(C)CO;PNDQJZUNRBJYQJ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324362;MM324362;CCN(CC)CC1(C)CC1;IHLJJWHVIDAQAI-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324363;MM324363;CCC(C)=COC(C)OC;VJJUAVSKOWKYGP-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324364;MM324364;CCN(CC)CC1(N)CC1;AFLJYQVZKSWYLC-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324365;MM324365;COC(C)OC=C(C)CO;FZVYEAPSVMSMBR-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324366;MM324366;CCN(CC)CC1(O)CC1;RDESFSNUYPVPKA-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324367;MM324367;COC(C)=COC(C)OC;MMIGEAMENRJYCY-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324368;MM324368;CCC(CN)CC1(C)CN1;MOUQVIHJHFYONV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324369;MM324369;CCC(C)ON=C(C)CN;FGSWTUPIDMIBMG-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324370;MM324370;CC1(CC(CN)CN)CN1;ZEFHPHRBSPQZOR-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324371;MM324371;CCC(C)=NOC(C)CN;BZIXKKYDGRBDFD-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324372;MM324372;CC1(CC(CN)CO)CN1;NXCYQWSPTLNLNE-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324373;MM324373;COC(C)=NOC(C)CF;MSYDXMCNRDSLDZ-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324374;MM324374;CCC(CC1(C)CN1)NC;JZSRPDIBNOQDOI-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324375;MM324375;COC(C)=NOC(C)OC;FTULYADZEUWMBL-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324376;MM324376;CNC(CN)CC1(C)CN1;XHPJIHFHOSAXFI-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324377;MM324377;CCN(C)CC=C(C)CN;BAEYEODJWHUOGD-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324378;MM324378;COC(CN)CC1(C)CN1;VNFOUXKASDCZTI-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324379;MM324379;CCN(C)CC=C(C)CF;IIHWGNPNBJDGRK-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324380;MM324380;CCN(CC)CC1(C)CN1;WODSFBXYYVNMBJ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324381;MM324381;CCN(C)CC=C(C)OC;WGLAUOAPWADQBR-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324382;MM324382;CCC(CC)CC1(C)CO1;ANEFTMNYRJXQPQ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324383;MM324383;C=CC(C)=CCC(C)CC;YZPZZLXTKRETNU-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324384;MM324384;CCC(CN)CC1(C)CO1;DONZNPZLWFRXKT-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324385;MM324385;CCC(C)CC=C(C)C#N;LZTNIBAEQXVYLR-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324386;MM324386;CCC(CO)CC1(C)CO1;RSGWDVWAZCNBIN-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324387;MM324387;C=CC(C)=CCC(C)CN;OJJVJABVEWAHAE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324388;MM324388;CC1(CC(CN)CO)CO1;BNFZGQNMTOOOBS-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324389;MM324389;C#CC(C)C(=C)CCCO;VALIPDKYKZMVAF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324390;MM324390;CCC(CC1(C)CO1)NC;YQVZNZJOPXPJCC-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324391;MM324391;C#CC(F)C(=C)CCCO;ALMRWYZOEPKRFJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324392;MM324392;CNC(CN)CC1(C)CO1;FMRUESFBKVXFGG-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324393;MM324393;CC(CF)=C(C)CCCO;XJTGVDVESZKLJS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324394;MM324394;C=CC(CC)CC1(C)CC1;PEOIQDGHZIPHRG-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324395;MM324395;C=CC(C)=CCC(C)CF;DXZBPYFYLNGFTO-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324396;MM324396;CCC(C=O)CC1(C)CC1;PLHYXHKQRUGIHB-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324397;MM324397;CC(C=O)=CCC(C)CF;DYMJPUGDUCZXAT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324398;MM324398;CCC(C#N)CC1(C)CC1;LGDNXILPKOBWJF-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324399;MM324399;CCC(C)CC=C(F)C#N;YYZNILHZHAXQOY-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324400;MM324400;C=CC(F)=CCC(C)CN;YGYYFOKKXPCQGA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324401;MM324401;O=COC=CCCCO;PJUPNTCROGHMMA-UHFFFAOYSA-N;130.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324402;MM324402;COC(C)=C(C)CCCO;WRXCESUIOYSMKO-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324403;MM324403;CC1(CC(C#N)CO)CC1;IYCHVFHIPLTGCI-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324404;MM324404;C=CC(C)=CCC(N)CC;NMVFKAISBPWAPW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324405;MM324405;C=CC(CF)CC1(C)CC1;PMZVTIDQCVTQJY-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324406;MM324406;C=CC(C)=CCC(N)CF;JOCWEICSLMDLMN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324407;MM324407;CC1(CC(C#N)CF)CC1;JYFUIJQLJVNHKG-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324408;MM324408;C=CC(F)=CCC(N)CC;XWXTWWJFMNESQK-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324409;MM324409;C=CC(CC)CC1(N)CC1;HBKDZUMJJCDNOU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324410;MM324410;CC(C=O)=C(C)CCCO;GWVFHSONYWYKSQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324411;MM324411;C=CC(CN)CC1(N)CC1;UNNFKFLVMSVIDK-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324412;MM324412;CC(C#N)=C(C)CCCO;XSFGGCPUZKIHGU-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324413;MM324413;C=CC(CF)CC1(N)CC1;VIIQFHAPNRHGJK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324414;MM324414;C#CC(C)=C(C)CCCO;SYGBPZZCYZGORL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324415;MM324415;C#CCC=CCCCO;MWUNMMSMSJMNKF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324416;MM324416;C=CC(C)=CCC(O)CO;IZMGBHWXFGRKAL-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324417;MM324417;C=CC(CN)CC1(O)CC1;OTNNRPFUGRHEHO-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324418;MM324418;CC(C#N)=CCC(O)CO;AYCDKZFLIMGLMV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324419;MM324419;N#CC(CO)CC1(O)CC1;UYZSANMBMPIZRQ-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324420;MM324420;C=CC(C)=CCC(O)CF;SANPFXBRHRJFOE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324421;MM324421;C=CC(CC)CC1(F)CC1;JNUOGCLKRKYUSK-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324422;MM324422;N#CC(F)=CCC(O)CO;GXPSNWOYVZQHDV-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324423;MM324423;CCC(C#N)CC1(F)CC1;DJDWXPBIIWNMQL-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324424;MM324424;C=CC(F)=CCC(O)CF;MQZBWIBBUKZUNF-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324425;MM324425;C=CC(CN)CC1(F)CC1;AOWDRSVWIUFNSK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324426;MM324426;C=CC(C)=CCC(F)CC;HRXKXRPQIFVRJT-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324427;MM324427;C=CC(CC1(C)CC1)NC;ZANNFSNKBLTDHF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324428;MM324428;CCC(F)CC=C(C)C=O;MODLNMPRSKTSRX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324429;MM324429;CNC(C=O)CC1(C)CC1;PMPFLXRJERXSHP-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324430;MM324430;CCC(F)CC=C(C)C#N;PDWYXOQAOMYMRB-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324431;MM324431;CNC(C#N)CC1(C)CC1;FJSMOLXRELAMCI-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324432;MM324432;C=CC(C)=CCC(F)CN;VJJYALHOJANKRB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324433;MM324433;C=CC(CC1(N)CC1)NC;VAMOLINEUFKDHQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324434;MM324434;C=CC(C)=CCC(F)CO;DJGNLGCRGJFHCK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324435;MM324435;CC(C#N)=CCC(F)CO;KISUJPIJJUQUSS-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324436;MM324436;C=CC(CC1(O)CC1)NC;SDNMCRLGPWKVPH-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324437;MM324437;C=CC(C)=CCC(F)CF;LAJMPWSFHVVPSU-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324438;MM324438;CC=CC=CCCCO;YGBJEJWGTXEPQB-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324439;MM324439;C=CC(F)=CCC(F)CN;XODGEGHLHQQJIO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324440;MM324440;CNC(C#N)CC1(F)CC1;IMKHEJWFWKRDOR-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324441;MM324441;C=CC(C)=CCC(C)NC;BOTUPRCDCSCOAJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324442;MM324442;COC(C#N)CC1(C)CC1;IBQDOGZPWXJYEG-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324443;MM324443;CNC(C)CC=C(C)C=O;MGBDZNFAPDZFRA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324444;MM324444;COC(C=O)CC1(O)CC1;JLGINMVGPWKWLU-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324445;MM324445;CNC(C)CC=C(C)C#N;WGMJDMNNWLRZIG-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324446;MM324446;COC(C#N)CC1(O)CC1;TTYUBSQZCZCOTB-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324447;MM324447;C=CC(F)=CCC(C)NC;YSWJKVTXDIHSRD-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324448;MM324448;COC(C#N)CC1(F)CC1;JILXXOLGIBBNGP-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324449;MM324449;CNC(C)CC=C(F)C=O;HFWVNWGNNBDAOY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324450;MM324450;C=CC(CC)NC1(C)CC1;ZTFQZYVKAKEAOQ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324451;MM324451;CNC(C)CC=C(F)C#N;JHMYVQWRTABRAW-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324452;MM324452;C=CC(CN)NC1(C)CC1;HFGUKEVXJYZLIE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324453;MM324453;COC(C)CC=C(C)C=O;RIZFNCYDNVWFAD-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324454;MM324454;C=CC(CO)NC1(C)CC1;FCBCHVVHCUEQRJ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324455;MM324455;COC(C)CC=C(C)C#N;LXWYMBTVLGAVBB-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324456;MM324456;CC#CC=CCCCO;MNXUJKOKYJNQPH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324457;MM324457;CCC(C)NC=C(C)C=O;DMQQYKRJOVNGKW-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324458;MM324458;CCC(C=O)OC1(C)CC1;UCMMNJKXXHUAOE-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324459;MM324459;CCC(C)NC=C(C)C#N;MGMAQPDAVNMLHG-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324460;MM324460;CCC(C#N)OC1(C)CC1;ATRZALUPCRYZFI-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324461;MM324461;C=CC(O)CCC#CC#N;ITMUWNMHKJGPMY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324462;MM324462;C=CC(CN)OC1(C)CC1;SKMXWBLKZJFLCQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324463;MM324463;C=CC(C)=NNC(C)CC;SRFYTAIYELNPDX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324464;MM324464;CC1(OC(C#N)CO)CC1;ZLPKTNJDEJIZKN-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324465;MM324465;C=C(CCCO)C1(C)CC1;MDGYJDFHYBKRJK-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324466;MM324466;C=C(CCCO)C1(O)CC1;IJQXJGCBPKVPTF-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324467;MM324467;COC(C=O)OC1(C)CC1;PXUSLSUMWBZIFB-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324468;MM324468;C=C(CCCO)C1(F)CC1;RAOAIUZDOXWQHT-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324469;MM324469;CCN(C=N)CC1(C)CC1;PHMHVYSGLPBYOW-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324470;MM324470;C=CC(C)=COC(C)CC;HCOMRIMBXWRJBR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324471;MM324471;CCN(C=O)CC1(C)CC1;HNOUHYAKJMJPHX-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324472;MM324472;CC(C=O)=COC(C)CO;JBIZLYLWVAXGQO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324473;MM324473;CCN(C=N)CC1(N)CC1;ORJRESUPTGNDPV-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324474;MM324474;CC(C#N)=COC(C)CO;VTCSCWDECLVXOZ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324475;MM324475;CCN(C=O)CC1(N)CC1;KVTNEJWEQCAYQW-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324476;MM324476;CC(CO)OC=C(F)C#N;CQJRTILVZRSLFN-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324477;MM324477;CCN(C=N)CC1(O)CC1;MEFVHNZBXLRHQU-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324478;MM324478;COC(C)OC=C(C)C#N;QMOAYPCRTKOTTM-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324479;MM324479;CCN(C=O)CC1(O)CC1;JUQZHVHTFQGHJG-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324480;MM324480;COC(C)OC=C(F)C#N;NWXJITLBXPGZSZ-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324481;MM324481;CCN(C=N)CC1(F)CC1;UOOIBYIQKADIBD-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324482;MM324482;C=CC(C)=NOC(C)CC;WMYZHUFLRFJWRK-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324483;MM324483;CCN(C=O)CC1(F)CC1;IRTLFYDLYQHWRR-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324484;MM324484;CCC(C)ON=C(C)C#N;SOELDVAPWBORKB-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324485;MM324485;C=NN(CC)CC1(C)CC1;CAMCEZCAXRXPEP-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324486;MM324486;CCCC(=CF)CCCO;LPWFNYIIBVKTIQ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324487;MM324487;C=NN(CC)CC1(N)CC1;QNAHQLKTYPOQDZ-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324488;MM324488;OCCCC(=CF)CCF;SMYVWWNDLRFCHI-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324489;MM324489;C=C(C)CC(C)(C)C(N)=O;CERZAMBPOMLYMG-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324490;MM324490;CC(C#N)=NOC(C)CO;WFDDTKWFVZSKEJ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324491;MM324491;C=NN(CC)CC1(F)CC1;KDSADHYMNILKOY-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324492;MM324492;C=CC(C)=NOC(C)CF;UGKCWTFJMMVNTL-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324493;MM324493;CNN(C=N)CC1(C)CC1;DQDUUQSGQGPVDJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324494;MM324494;COC(C)ON=C(C)C=O;RPIQIAYOFZBKBJ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324495;MM324495;CNN(C=O)CC1(C)CC1;KMCRUXNBAXZCNL-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324496;MM324496;COC(C)ON=C(C)C#N;BNOCLWLZAZDVNK-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324497;MM324497;CNN(C=N)CC1(N)CC1;QGEKOJZHZAKFCX-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324498;MM324498;C=CC(C)=CCN(C)CC;HJXCGCUCSXDFFX-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324499;MM324499;CNN(C=O)CC1(N)CC1;DWKNGJLHITXAEH-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324500;MM324500;CCN(C)CC=C(C)C=O;MJNCTWANEHHFDQ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324501;MM324501;CC(C)(O)C=CCCCO;UFHITWGXZITMGE-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324502;MM324502;C=CC(F)=CCN(C)CC;OYGNFGBGSXYFEM-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324503;MM324503;CNN(C=N)CC1(F)CC1;GBCIQYHKNXSYBX-UHFFFAOYSA-N;145.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324504;MM324504;C#CC(C)=CCC(C)CC;LVBWHLGVAHEOJY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324505;MM324505;CNN(C=O)CC1(F)CC1;AGOHMZPTCOXOKL-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324506;MM324506;C#CC(C)=CCC(C)CN;VLYDSTUSJLPGSB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324507;MM324507;CON(C=O)CC1(C)CC1;INLSEZBYZSBGGD-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324508;MM324508;COCC(=CF)CCCO;PEZAQROZIUEJHP-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324509;MM324509;CON(C=O)CC1(N)CC1;JHFIKKRLTPHHSS-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324510;MM324510;C#CC(F)=CCC(C)CC;YGLQPSSROZZTLY-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324511;MM324511;CON(C=O)CC1(O)CC1;RHMBBJSTKDIRBK-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324512;MM324512;C#CC(F)=CCC(C)CN;DAXMQHURMZMJOK-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324513;MM324513;CON(C=O)CC1(F)CC1;WYCFCZMRQGBTPD-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324514;MM324514;C#CC(C)=CCC(N)CC;ILJMBVCEQSLUER-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324515;MM324515;CCN(C=N)NC1(C)CC1;HIRJOGPTFYDCNK-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324516;MM324516;C#CC(C)=CCC(N)CN;UUDJTNZWPMKCDT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324517;MM324517;CCN(C=O)NC1(C)CC1;LRJPKIZVGBLNRF-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324518;MM324518;C#CC(C)=CCC(N)CO;RZHQHMCBQQCRAB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324519;MM324519;CCN(C=N)OC1(C)CC1;MKUMSXFSBJFHNM-UHFFFAOYSA-N;142.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324520;MM324520;C#CC(C)=CCC(N)CF;PQKPASGBJRNQQL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324521;MM324521;CCN(C=O)OC1(C)CC1;ACJVUZQDXYHVOJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324522;MM324522;C#CC(F)=CCC(N)CC;WCWYDULYKDRJRI-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324523;MM324523;C=CC(CN)CC1(C)CN1;LPTMEHJJQMKCNH-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324524;MM324524;CC=C(CC=O)CCCO;YGHMPHJWFYHPQF-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324525;MM324525;C=CC(CC1(C)CN1)NC;MOLCQURJOMAUPD-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324526;MM324526;C#CC(C)=CCC(O)CN;ZPGREQWQOXNPMT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324527;MM324527;CCN(C=N)CC1(C)CN1;JVVZKCXXJPOJAN-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324528;MM324528;C#CC(C)=CCC(O)CF;ZNFVBRZEUIAREQ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324529;MM324529;CNN(C=N)CC1(C)CN1;OTLPPUSTMXIDNJ-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324530;MM324530;C#CC(C)=CCC(F)CC;NLDPLKIMYIPYDD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324531;MM324531;C=CC(CC)CC1(C)CO1;HWTXYRYMXPKODA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324532;MM324532;C#CC(C)=CCC(F)CN;MHEFKRIIOOZJGR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324533;MM324533;CCC(C#N)CC1(C)CO1;XYIHVHOOEGLZHN-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324534;MM324534;C#CC(C)=CCC(F)CF;JQYGMTQECMEZMW-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324535;MM324535;C=CC(CN)CC1(C)CO1;DHZWYRUIDWIXOZ-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324536;MM324536;C#CC(C)=CCC(C)NC;HWNIGQFLUHIDHE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324537;MM324537;C=CC(CO)CC1(C)CO1;PUELQVWBRTXELL-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324538;MM324538;C#CC(F)=CCC(C)NC;AYABXLBJDZCQII-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324539;MM324539;C=CC(CC1(C)CO1)NC;WXUWSIYEIBSNTK-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324540;MM324540;C#CC(C)=CCC(C)OC;CWXJRWIKQLBWRN-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324541;MM324541;CNC(C=O)CC1(C)CO1;SPFSANNWLNQKQS-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324542;MM324542;COC(C=O)CC1(C)CO1;STSQFRBGESXTOX-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324543;MM324543;C#CC(C)=NNC(C)CC;GHCKVXCQUXMVGR-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324544;MM324544;COC(C#N)CC1(C)CO1;YRZAFAWWQXYNKD-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324545;MM324545;C#CC(C)=NNC(C)CN;YDJAPKQRYSWWAM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324546;MM324546;CCN(C=N)CC1(C)CO1;XXPUPWZJZFZZGX-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324547;MM324547;C#CC(C)=NNC(C)CF;WYFZGTIIHBGOHX-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324548;MM324548;C=NN(CC)CC1(C)CO1;UKLCCYFNOBRPDU-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324549;MM324549;C#CC(C)=COC(C)CN;BJYSCYBQVYIHKW-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324550;MM324550;CNN(C=N)CC1(C)CO1;GUTSNWHYFJTIIZ-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324551;MM324551;C#CC(F)=COC(C)CN;JFINVOOJTCMEKY-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324552;MM324552;CNN(C=O)CC1(C)CO1;GTVHUNHSJOTGSB-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324553;MM324553;C#CC(C)=COC(C)OC;MJPGRMGWIDODCM-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324554;MM324554;CON(C=O)CC1(C)CO1;WOPLNQZSRYCHCI-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324555;MM324555;C#CC(F)=COC(C)OC;QTPIJZAAFUTMSD-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324556;MM324556;C#CC(CC)CC1(C)CC1;CAFUXTBGHLDDAW-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324557;MM324557;C=CCC(=CF)CCCO;VZPIYEOPLCYYMQ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324558;MM324558;C=CC(C)C(C)(C)C(N)=O;UIGJDHMDRSYPGZ-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324559;MM324559;C#CC(C)=NOC(C)OC;NKJLCHWYYXLIKJ-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324560;MM324560;C#CC(CF)CC1(C)CC1;KDVMIQYPVCRTIO-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324561;MM324561;C#CC(C)=CCN(C)CC;UUZCZCJYVXWJBY-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324562;MM324562;C#CC(CC)CC1(N)CC1;IGCVUZYLEXUAGE-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324563;MM324563;C=CC(C)CC=C(C)CC;IMYDYPJTHLPCOU-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324564;MM324564;C#CC(CN)CC1(N)CC1;BNCPKLPBEUWIFC-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324565;MM324565;C=CC(C)CC=C(C)CN;VEMYWLHWJGAPIV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324566;MM324566;C#CC(CO)CC1(N)CC1;JGXORYWLPOLNFD-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324567;MM324567;CCC(C)=CCC(C)C=O;XQKWLOJQVKOLRK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324568;MM324568;C#CC(CF)CC1(N)CC1;CKDIRJJCEYVQQK-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324569;MM324569;CCC(C)=CCC(C)C#N;HIKZTEZRTHISHS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324570;MM324570;CC=CCC(C)(C)C(N)=O;ZSZLCXMUJDSPRD-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324571;MM324571;CC(=CCC(C)C=O)CF;CBJHNMRLCGUFCF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324572;MM324572;C#CC(CN)CC1(O)CC1;ANJNDUTUUOSIBA-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324573;MM324573;C=CC(C)CC=C(F)CC;WERSNSATPXANLS-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324574;MM324574;C#CC(CF)CC1(O)CC1;FAZDJVJOWMZVER-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324575;MM324575;CC(C#N)CC=C(F)CO;HYUFYXNBTYTNOL-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324576;MM324576;C#CC(CC)CC1(F)CC1;YNLFHLSHCSIDPO-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324577;MM324577;C=CC(N)CC=C(C)CC;VHUBNTHGYFEQLB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324578;MM324578;C#CC(CC1(C)CC1)NC;NTDVVDLERNSRJE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324579;MM324579;C=CC(N)CC=C(C)CO;RPCVIOPXNJSYMJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324580;MM324580;C#CC(CC1(N)CC1)NC;GOOLQYVMFOJGBS-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324581;MM324581;C#CC(CC1(O)CC1)NC;UDPZLEUKOKSYNL-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324582;MM324582;C=CC(N)CC=C(C)CF;CELAWGNMJYPBMH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324583;MM324583;C#CC(CC1(F)CC1)NC;YJPLEOSXWYLXNN-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324584;MM324584;C=CC(N)CC=C(F)CC;FPAAVYONGWEKTN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324585;MM324585;C#CC(CC1(C)CC1)OC;IQBSCTMPLWODOW-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324586;MM324586;C=CC(N)CC=C(F)CN;ZBBJYOLPASTSDD-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324587;MM324587;C#CC(CC1(N)CC1)OC;JSMLPSYEZAEVBJ-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324588;MM324588;O=CCC(=CF)CCCO;OWEJLSFQNJPNEF-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324589;MM324589;C#CC(CC1(O)CC1)OC;LCPZSDNFBWFBTE-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324590;MM324590;C#CCC(=CC)CCCO;XAQOFOVBEBSUEX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324591;MM324591;C#CC(CC)NC1(C)CC1;VOSDOEXQBKUONQ-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324592;MM324592;C#CCC(=CF)CCCO;IKYBBTPMMWUIFT-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324593;MM324593;C#CC(CN)NC1(C)CC1;MGIKMYIORHCHKT-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324594;MM324594;CCC(C)=CCC(O)C#N;YJFBZKRKBMDXFE-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324595;MM324595;C#CC(CO)NC1(C)CC1;ICGAROQYVANTEK-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324596;MM324596;CC(=CCC(O)C=O)CO;LSHBTXGMGCPQIB-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324597;MM324597;C#CC(CO)OC1(C)CC1;RWNRPZMLKXFVGX-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324598;MM324598;CC(=CCC(O)C#N)CO;VSHNSZRTEDYPCN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324599;MM324599;C#CC(CF)OC1(C)CC1;YQNZAXHEBZTQBJ-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324600;MM324600;CC(=CCC(O)C#N)CF;NWYOLJHESIZDEQ-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324601;MM324601;C#CC(CC1(C)CN1)NC;PJGUOZYHJBGGGR-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324602;MM324602;C=CC(O)CC=C(F)CC;YUYIJDYAXBRCEW-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324603;MM324603;C#CC(CC)CC1(C)CO1;BPXSDBGMOZARER-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324604;MM324604;N#CC(O)CC=C(F)CO;UPCROZYEULMFJH-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324605;MM324605;C#CC(CN)CC1(C)CO1;YUICWODOGYMAMX-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324606;MM324606;O=CC(O)CC=C(F)CF;YCHDUXXKZZJKGV-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324607;MM324607;C#CC(CO)CC1(C)CO1;XMPIFWJKUDPFJT-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324608;MM324608;N#CC(O)CC=C(F)CF;KTACZYUDSQQNDR-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324609;MM324609;C#CC(CC1(C)CO1)NC;YOUNBWIJGFXXAG-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324610;MM324610;C#CC(CC1(C)CO1)OC;KTFXOYUJGCXUEP-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324611;MM324611;C=CC(F)CC=C(C)CC;UQFRXWNGSNAHTO-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324612;MM324612;C=CC(C=C)CC1(C)CC1;KPXCAJSEUOOETN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324613;MM324613;C=CC(F)CC=C(C)CN;YVAFGZRBDVPTTO-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324614;MM324614;C=CC(C=O)CC1(C)CC1;XZYDVLPRDIVUND-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324615;MM324615;C=CC(F)CC=C(C)CF;JCSWOPZITZOFIZ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324616;MM324616;C=CC(C#N)CC1(C)CC1;TZDQQIAKJSCTFK-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324617;MM324617;CCC(C)=CCC(F)C=O;NNWKRRAEJOYDLA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324618;MM324618;CC1(CC(C#N)C=O)CC1;JGSQPWMKKRKTOR-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324619;MM324619;CCC(C)=CCC(F)C#N;DAUGCAMEGXJMBP-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324620;MM324620;CC1(CC(C#N)C#N)CC1;NEVDEUMOVUMMOQ-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324621;MM324621;CC(=CCC(F)C=O)CF;GUARHIXWFSKFOQ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324622;MM324622;C=CC(C=C)CC1(N)CC1;OMPPLUHNQVUTPZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324623;MM324623;CC(=CCC(F)C#N)CF;PHFWWKSVRMKXCI-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324624;MM324624;CC(=O)CNN=CC(F)F;PKJKWRHFSAXYLT-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324625;MM324625;CCC(F)=CCC(F)C#N;KFVOFOUUZIVRDZ-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324626;MM324626;C=CC(C=O)CC1(O)CC1;QHYVIVRWWVAQOX-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324627;MM324627;C=CC(C)CC=C(C)OC;IUCVXDGJPMTMJQ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324628;MM324628;C=CC(C=C)CC1(F)CC1;CWGRZLLYVPWEBI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324629;MM324629;COC(C)=CCC(C)C=O;UCINFNVBSBCAPR-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324630;MM324630;C=CC(C=O)CC1(F)CC1;HVVFQLVXXZOKGF-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324631;MM324631;C=CC(N)CC=C(C)OC;FSMZZSMXIZTUDD-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324632;MM324632;C=CC(C#N)CC1(F)CC1;VEKYENGVEGPFAM-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324633;MM324633;C=CC(F)CC=C(C)OC;QBILXTWKLCGKJV-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324634;MM324634;N#CC(C=O)CC1(F)CC1;XXNUSZUOJVKHOT-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324635;MM324635;C=CC(C=C)NC1(C)CC1;JZBRGGWIOJJBPC-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324636;MM324636;COC(C)=CCC(F)C#N;UFCVNFZBNIRYMC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324637;MM324637;C=CC(C#N)NC1(C)CC1;NTNPCMKDTKLQTI-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324638;MM324638;C=CC(C)NN=C(C)CC;FZUFUZKXCVIZON-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324639;MM324639;C=C(C=C(F)F)CCCO;DMFSMRVMNBYOOP-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324640;MM324640;CCC(=COC)CCCO;PALDSBPCMZMXKC-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324641;MM324641;C=CC(O)C=C(C)CCO;HJHVEMDYQOFPAR-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324642;MM324642;C=CC=C(CC)CCCO;LTPPQFNHABUMPI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324643;MM324643;C=CC(C=O)OC1(C)CC1;JEIPOWAOUGYWTE-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324644;MM324644;CCC(=CC#N)CCCO;CFLUPJOIFCRKJR-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324645;MM324645;C=CC(C#N)OC1(C)CC1;VOTBIZXCLSTELO-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324646;MM324646;C=CC=C(CF)CCCO;GTEDMQZKZHQBSN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324647;MM324647;CC1(OC(C=O)C=O)CC1;SOMQDAYOZJTKMU-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324648;MM324648;C=CC(C)OC=C(C)CC;HWAPUSHUEGJDEX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324649;MM324649;CC1(OC(C#N)C=O)CC1;YLSSFPXGQGPQAR-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324650;MM324650;C=CC(C)OC=C(C)CO;CKTLNPKMOILKIB-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324651;MM324651;CC1(OC(C#N)C#N)CC1;RWCUSLABFCEVSA-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324652;MM324652;CC(=COC(C)C#N)CF;PNCFGAITUQGHBS-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324653;MM324653;C=CN(C=N)CC1(C)CC1;SHVDWARSFZKOSC-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324654;MM324654;COC(C)=COC(C)C=O;FBJCVDJJIGXABW-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324655;MM324655;C=CN(C=O)CC1(C)CC1;LMNOVPHTTOCNCU-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324656;MM324656;COC(C)=COC(C)C#N;RXCIBYKXLZRYEO-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324657;MM324657;CC1(CN(C=N)C=N)CC1;XMNQAHHBVOZASO-UHFFFAOYSA-N;139.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324658;MM324658;C#CC=C(CC)CCCO;PZOUVZRHUHDZGT-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324659;MM324659;CC1(CN(C=O)C=O)CC1;LVXYZQMYJVPGQZ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324660;MM324660;CC(C)C(=CF)CCCO;MOWRHZPULJUUGJ-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324661;MM324661;C=CN(C=N)CC1(N)CC1;XUMIBOGNRKVHHL-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324662;MM324662;CCC(C)=CCN(C)C=N;WSFCOMQDQJVUKI-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324663;MM324663;C=CN(C=O)CC1(N)CC1;QACVVTKLLFSWJV-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324664;MM324664;CC(=CCN(C)C=N)CO;LRUIUBVOYOCCMI-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324665;MM324665;N=CN(C=N)CC1(N)CC1;DVGHNRYSUBCIRI-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324666;MM324666;CCC(C)=CCN(C)C=O;ARCWPYAHXUWHAR-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324667;MM324667;N=CN(C=O)CC1(N)CC1;XAPAMTPEEPMWOF-UHFFFAOYSA-N;141.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324668;MM324668;CC(=CCN(C)C=O)CN;HDAMAWPZMNHRNQ-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324669;MM324669;NC1(CN(C=O)C=O)CC1;IYAYKWHBKLZACS-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324670;MM324670;CC(=CCN(C)C=O)CO;XFIJEHGHYNOZGZ-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324671;MM324671;C=CN(C=N)CC1(O)CC1;UFQXZVHQSHLBFU-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324672;MM324672;CCC(F)=CCN(C)C=N;JSMVMFSTHJOUIK-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324673;MM324673;C=CN(C=O)CC1(O)CC1;XVTGWOGTYYDIMU-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324674;MM324674;CN(C=N)CC=C(F)CF;OCPWFTZGEIUMEK-UHFFFAOYSA-N;148.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324675;MM324675;N=CN(C=N)CC1(O)CC1;VRCGMNDALUWANM-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324676;MM324676;CCC(F)=CCN(C)C=O;HTFIIVHKWPFXLI-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324677;MM324677;C=CC(O)C=C(C)CCF;DINUPJWCWXNSGO-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324678;MM324678;CCC(C)=CCN(N)C=N;YNGXCXFHJJIUBP-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324679;MM324679;O=CN(C=O)CC1(O)CC1;NJCBBELLKARKNP-UHFFFAOYSA-N;143.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324680;MM324680;CC(=CCN(N)C=N)CO;KUYBXXCIIOSMKL-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324681;MM324681;C=CN(C=N)CC1(F)CC1;FCYUMMRQIYKIIF-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324682;MM324682;CCC(C)=CCN(N)C=O;BELDYNKRLNZKCP-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324683;MM324683;C=CN(C=O)CC1(F)CC1;LLYGIVZPBSQPBV-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324684;MM324684;CC(=CCN(N)C=O)CF;LXHDVBDPKZKLDL-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324685;MM324685;N=CN(C=N)CC1(F)CC1;WBBWJECBGOBTJC-UHFFFAOYSA-N;143.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324686;MM324686;N=CN(N)CC=C(F)CO;JDSHKEURWXHOGM-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324687;MM324687;N=CN(C=O)CC1(F)CC1;AZMPXSNICSNANY-UHFFFAOYSA-N;144.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324688;MM324688;COC(C)=CCN(C)C=N;ICVVWXCAIUKXGL-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324689;MM324689;O=CN(C=O)CC1(F)CC1;AZKWDJGQQNDDBA-UHFFFAOYSA-N;145.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324690;MM324690;COC(C)=CCN(C)C=O;FGXFVLJGDIQWSH-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324691;MM324691;C=NN(C=N)CC1(C)CC1;NYIDNNHFIOIUFO-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324692;MM324692;COC(C)=CCN(N)C=N;AASKGSHXOJGWHL-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324693;MM324693;C=NN(C=O)CC1(N)CC1;CYSQDNIIDVUZNK-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324694;MM324694;C=NN(C)CC=C(C)CC;UZXAOLWOUWDGMO-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324695;MM324695;C=NN(C)CC=C(C)CF;LSBNEAWTWUPMOE-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324696;MM324696;C=CCC(=CC(C)C)CO;ONEYTSNXBGQBOV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324697;MM324697;C=NN(C)CC=C(F)CC;GRKZEWXDTSESCV-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324698;MM324698;C=NNC=NC(C)CC=O;CQVZDGHHBRGPMN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324699;MM324699;C=NN(C)CC=C(C)OC;ZCDAQJNHWISISY-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324700;MM324700;C=NN(C=N)CC1(F)CC1;AYMYXNKQKVXWRI-UHFFFAOYSA-N;143.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324701;MM324701;C=CC(C)=CCC(C)C=C;BIGSRGKQGSHGNX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324702;MM324702;C=NN(C=O)CC1(F)CC1;LUWUUFUBDDOUEX-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324703;MM324703;C=CC(C)CC=C(C)C=O;DOCSKPAKPJZRFO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324704;MM324704;C=CN(C=N)NC1(C)CC1;LATORMFIYJLHJP-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324705;MM324705;C=CC(C)=CCC(C)C#N;XMGCSPVHMQSYSO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324706;MM324706;C=CN(C=O)NC1(C)CC1;WUNPFYWEKPPHRJ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324707;MM324707;CC(C=O)=CCC(C)C=O;FDYHQYYTBPXZOR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324708;MM324708;CC1(NN(C=N)C=N)CC1;XOFKMDJKFWAFFV-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324709;MM324709;CC(C=O)=CCC(C)C#N;UBPIMYBDJSFKHW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324710;MM324710;CC1(NN(C=N)C=O)CC1;PQGXMYVOFXEHFF-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324711;MM324711;CC(C=O)CC=C(F)C#N;XZVWHRLTSOFMPB-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324712;MM324712;CC1(NN(C=O)C=O)CC1;MXUOHMQFFAJVGV-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324713;MM324713;CC(C#N)CC=C(F)C#N;QBJSAIYTMUVYPE-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324714;MM324714;C=CN(C=N)OC1(C)CC1;XKXARCLDDGMEJO-UHFFFAOYSA-N;140.19;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324715;MM324715;C=CC(C)=CCC(N)C=C;NVGQILYMYHFJEI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324716;MM324716;C=CN(C=O)OC1(C)CC1;XPHPDVIZGAVHKE-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324717;MM324717;CC=C(CCCO)C(C)O;ZRJSJFIQAODZAX-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324718;MM324718;CC1(ON(C=N)C=O)CC1;JOZXMVGJRDAGIA-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324719;MM324719;CC=C(CCCO)C(C)F;KNBIGCUFCFHWLA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324720;MM324720;CC1(ON(C=O)C=O)CC1;ZNLFVYRJKQLZED-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324721;MM324721;CC(C)=C(CO)CCCO;MSIRAWVTWLNBTA-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324722;MM324722;CC=CC(O)C=CCCC;NBGBDNBTEOECHO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324723;MM324723;C=CC(C)=CCC(O)C#N;RNTMILVLJWNZPK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324724;MM324724;C=CN(C=N)CC1(C)CN1;BCDVLNLMBQKLEV-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324725;MM324725;CC(C#N)=CCC(O)C=O;YAZJGGBHOYPHHP-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324726;MM324726;CC1(CN(C=N)C=N)CN1;WEYCEQAXCVYGPK-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324727;MM324727;C=CC(O)CC=C(F)C=O;XIGXMEYAIGSEIK-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324728;MM324728;C=CC(F)=CCC(O)C#N;KOBKGHFHOGCVTJ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324729;MM324729;C=CC(C=C)CC1(C)CO1;OCYMOBIJPFVCED-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324730;MM324730;C=CC(C)=CCC(F)C=C;MNPCDCQGHTTYNN-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324731;MM324731;CC1(CC(C=O)C=O)CO1;ICKSKXUHRYULFF-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324732;MM324732;C=CC(F)CC=C(C)C=O;NHFYJUQGTRFKHE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324733;MM324733;CC1(CC(C#N)C#N)CO1;FTQDXJTVFLOZIA-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324734;MM324734;C=CC(C)=CCC(F)C=O;UZLVDLSAWVPKAI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324735;MM324735;C=CN(C=N)CC1(C)CO1;PESNLZLEASQOBU-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324736;MM324736;CC(C=O)=CCC(F)C#N;ZRNFOJDEZONEFJ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324737;MM324737;C=CN(C=O)CC1(C)CO1;BLJSMYODKGFTRJ-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324738;MM324738;CC(C#N)=CCC(F)C#N;JWQXISLMIKVJSN-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324739;MM324739;CC1(CN(C=N)C=N)CO1;RVKACLCNBJDTGW-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324740;MM324740;O=CC(F)=CCC(F)C=O;GTUKZUPDWXYPMC-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324741;MM324741;CC1(CN(C=N)C=O)CO1;RSLSIPQXSVOVMP-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324742;MM324742;C=CC(C)NC=C(C)C=O;BCZXJGLCSPLRJV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324743;MM324743;CC1(CN(C=O)C=O)CO1;XRBAWHMBUCNBCJ-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324744;MM324744;C=CC(C)NC=C(C)C#N;IMXVMEKHFIUCBU-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324745;MM324745;C=NN(C=O)CC1(C)CO1;JYTNJZASUZNKMK-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324746;MM324746;CC(C#N)=CNC(C)C#N;SNIZUWVZUXNGNW-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324747;MM324747;C#CC(C=C)CC1(C)CC1;HKDDTCIGBKLPHX-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324748;MM324748;C=CC(C)NC=C(F)C=O;SZYPBXVPFHWMJC-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324749;MM324749;C#CC(C=O)CC1(C)CC1;LZZBFGNROTWIJL-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324750;MM324750;CC(C=O)NC=C(F)C#N;CPSWRQUCDPARNH-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324751;MM324751;C#CC(C#N)CC1(C)CC1;LFYKQFJLNSXWET-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324752;MM324752;CC(C#N)NC=C(F)C#N;JEWDDPWXSAAHTK-UHFFFAOYSA-N;139.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324753;MM324753;C#CC(C=C)CC1(N)CC1;XJPUUTVSWWKOAP-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324754;MM324754;C=CC(C)=NNC(C)C=C;JZUCVQMCMQFPMJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324755;MM324755;C#CC(C=O)CC1(O)CC1;XESSNYHGHPPREC-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324756;MM324756;C=CC(C)=COC(C)C=C;XDZJFTKVYDEMOS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324757;MM324757;C#CC(C=C)CC1(F)CC1;RELBPJMXFBLAEF-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324758;MM324758;C=CC(C)OC=C(C)C#N;QQBAZXBZBWGJDU-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324759;MM324759;C=CC(C)=COC(C)C#N;UPZCJQSOJYMEGC-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324760;MM324760;C#CC(C=O)CC1(F)CC1;SXEUSQZGGFFLRI-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324761;MM324761;CC(C#N)=COC(C)C=O;GGLXNOZLWZUOOX-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324762;MM324762;C#CC(C#N)CC1(F)CC1;LCCNHKZHWZICRL-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324763;MM324763;CC(C#N)=COC(C)C#N;YZPKMBYOBGZSRO-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324764;MM324764;C#CC(C=C)NC1(C)CC1;UPHJVHMDWOCUIQ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324765;MM324765;C=CC(F)=COC(C)C#N;PAMBGBBNRLFHMM-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324766;MM324766;CON=C(C)C#CCC=O;HXQSVDVDMQUKJT-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324767;MM324767;CC(C=O)OC=C(F)C=O;DFKUBFGDIHKCRC-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324768;MM324768;C#CC(C=C)OC1(C)CC1;AANXRUDZUOFJHJ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324769;MM324769;CC(C=O)OC=C(F)C#N;OXGGVMMOZKNBHC-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324770;MM324770;C#CC(C=O)OC1(C)CC1;NCTRUYHBOAELLI-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324771;MM324771;CC(C#N)OC=C(F)C#N;YJIOOQDWHRTMPS-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324772;MM324772;C#CC(C#N)OC1(C)CC1;RCYHMZGQYODXEQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324773;MM324773;CCC(CCCO)=C(C)F;IKADLNDGIRPERQ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324774;MM324774;C#CC(C=C)CC1(C)CO1;DQVXOSQIKZMCFA-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324775;MM324775;C=CC(C)=CCN(C)C=N;KMJVARZPJALBCQ-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324776;MM324776;C#CC(C=O)CC1(C)CO1;ZVOPZLOCXZSLSI-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324777;MM324777;CC(C#N)=CCN(C)C=N;WWWITAQBCMSAPO-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324778;MM324778;C#CC(C#N)CC1(C)CO1;DUIITRWVUFKWMV-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324779;MM324779;C=CC(C)=CCN(C)C=O;WEIKKQJCXMZTFA-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324780;MM324780;C#CC(C#C)CC1(C)CC1;YCCNFKWMLSGDOF-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324781;MM324781;CN(C=N)CC=C(F)C#N;WLZOWRLMBBNYCG-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324782;MM324782;C#CC(C#C)CC1(N)CC1;CXXDKTQFBLWVNQ-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324783;MM324783;C=CC(F)=CCN(C)C=O;WCWSOFZWWQIZDO-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324784;MM324784;CCCC(F)=CCCCO;WGVSUSXAQOCRNK-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324785;MM324785;CN(C=O)CC=C(F)C#N;VQYJSACSGZJZTC-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324786;MM324786;C#CC(C#C)CC1(F)CC1;TVLCOCWERCELLH-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324787;MM324787;C=CC(C)=CCN(N)C=N;QWXLNKXQHIEHKL-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324788;MM324788;C#CC(C#C)OC1(C)CC1;FACSBBTWDWJYQV-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324789;MM324789;C=CC(C)=CCN(C)N=C;JJPCESJMKRDURL-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324790;MM324790;C#CC(C#C)CC1(C)CO1;XHKSCDUSAMNSCW-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324791;MM324791;C=NN(C)CC=C(F)C#N;JDFXFLJHQPBEQJ-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324792;MM324792;CC=C(CC)CC1(C)CC1;IIETVLCXOMGGPJ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324793;MM324793;CC(C=O)=CNN(C)C=N;QMEXVOQXPFKCTM-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324794;MM324794;CCC(=CF)CC1(C)CC1;LRODHMHALDIIIZ-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324795;MM324795;CN(C=N)NC=C(F)C#N;QIVMZABHPPBCIR-UHFFFAOYSA-N;142.14;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324796;MM324796;CC=C(CN)CC1(C)CC1;XYSNHAMEOGNNRK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324797;MM324797;C#CC(C)=CCC(C)C=C;ZOHIKDAJYUZCIN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324798;MM324798;C#CC(C)=CCC(C)C=O;ZKWFJWPXTWQTLQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324799;MM324799;CCOC(C)=CCCCO;CYXXVTJSACCSDU-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324800;MM324800;C#CC(C)=CCC(C)C#N;FLKWXIJPDIIFGK-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324801;MM324801;CC=C(CF)CC1(C)CC1;OUMGPIHAODTVTQ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324802;MM324802;C#CC(F)=CCC(C)C=O;VEHXEHPZMCWKPM-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324803;MM324803;CC=C(CC)CC1(N)CC1;ORLDQJWOKZWGEC-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324804;MM324804;C#CC(F)=CCC(C)C#N;RFBSHMSIPPOKRH-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324805;MM324805;CC=C(CN)CC1(N)CC1;SWXDLRJZIUEVSK-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324806;MM324806;C#CC(C)=CCC(N)C=C;RRYCOBDUVCAJDW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324807;MM324807;NCC(=CF)CC1(N)CC1;SLIADQWLZJUUQE-UHFFFAOYSA-N;144.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324808;MM324808;N#CC(=CN)N(C=N)C=N;FTWILPLNAIEIOF-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324809;MM324809;CC=C(CO)CC1(N)CC1;KZVCTSHXYCTDDE-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324810;MM324810;C#CC(C)=CCC(O)C#N;KISJTAUKTZZDSE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324811;MM324811;CC=C(CF)CC1(N)CC1;DTMOGTRVOXBSMJ-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324812;MM324812;C#CC(F)=CCC(O)C#N;DENPICLVWHOPTP-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324813;MM324813;C=CCC(C)=CCCCO;BLEHVLWDLBCYTO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324814;MM324814;C#CC(C)=CCC(F)C=C;QTMPPPUIKHWILI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324815;MM324815;CC=C(CN)CC1(O)CC1;SMCISCNWYBELLX-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324816;MM324816;C#CC(C)=CCC(F)C=O;UNNAHTFKBYRLMZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324817;MM324817;CC=C(CO)CC1(O)CC1;FPUUQRDDVQOXQN-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324818;MM324818;CC=C(CF)CC1(O)CC1;JBTADPMQAWNKOC-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324819;MM324819;C#CC(C)=CCC(F)C#N;STOOEMXRQZBNSF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324820;MM324820;CC=C(CC)CC1(F)CC1;TUIQVUXMWPVGLD-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324821;MM324821;C#CC(F)=CCC(F)C=C;AIFURRHFOXTSDR-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324822;MM324822;CC=C(CN)CC1(F)CC1;LDIJIGSMBJBAIH-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324823;MM324823;C#CC(F)=CCC(F)C=O;VHAXEKBQBMECKS-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324824;MM324824;CC=C(CO)CC1(F)CC1;XWZGAJLKVZRJKY-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324825;MM324825;C#CC(C)=NNC(C)C=C;DSNBWYABEMUJSS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324826;MM324826;CC=C(CF)CC1(F)CC1;DMPWNADGUXKIEV-UHFFFAOYSA-N;146.18;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324827;MM324827;C#CC(CO)CC#CCC;QJBQCCDYFHRBSE-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324828;MM324828;CCC(CC1(C)CC1)=NN;RYNCLZFNHAMMGD-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324829;MM324829;C#CC(C)=COC(C)C=O;PSDNXPFPHOAHET-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324830;MM324830;CCC(CC1(C)CC1)=NO;NZOOSQOKOTXUKE-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324831;MM324831;C#CC(F)=COC(C)C=O;WLBXHZKAKBMTHP-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324832;MM324832;CCC(CC1(N)CC1)=NO;ITOCLUFWXMDOOV-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324833;MM324833;C#CC(F)=COC(C)C#N;PYLXVSPRZVJSQR-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324834;MM324834;CC(=CCCCO)CC=O;FVPWZBFYCCMBII-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324835;MM324835;C#CC(C)=NOC(C)C=C;RWOQKHSCQQSTHN-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324836;MM324836;CCC(CC1(O)CC1)=NO;LPWXNCMKUKINKF-UHFFFAOYSA-N;143.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324837;MM324837;C=Cn1ncc(NCC)n1;HZDHFKPFEOXDLK-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324838;MM324838;C=CCC(F)=CCCCO;FZDFYEOGORDGHJ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324839;MM324839;C#CC(C)=NOC(C)C#N;OFCUERKHZHSHFC-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324840;MM324840;CCC(CC1(F)CC1)=NN;UOSXOPVPFUKNNP-UHFFFAOYSA-N;144.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324841;MM324841;C#CC(C)=CCN(C)C=N;ZMIXHVBSLWIJCG-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324842;MM324842;N#CCC(F)=CCCCO;GYXYHRWVMAFUMF-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324843;MM324843;C#CC(C)=CCN(C)C=O;RSLXLZCWLCTRCL-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324844;MM324844;CN=C(CC1(C)CC1)NC;BYIOVNFQHPQGLW-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324845;MM324845;C#CC(F)=CCN(C)C=N;BNKIOEBSSLPWKY-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324846;MM324846;C#CCC(C)=CCCCO;WDLHQNPGQYUDTQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324847;MM324847;CN=C(CC1(N)CC1)NC;HVBIDZDPUVSRSD-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324848;MM324848;C#CC(F)=CCN(C)C=O;MKSREILBXZPIND-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324849;MM324849;CN=C(CC1(O)CC1)NC;CJIZROIUGJJCJU-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324850;MM324850;C#CC(C)=CCN(C)N=C;IYFLYNXHIPZCTI-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324851;MM324851;C#CCC(F)=CCCCO;GSEAWXSIGUNRJC-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324852;MM324852;C#CC(F)=CCN(C)N=C;SRWUFOCNQQVQFI-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324853;MM324853;ON=C(CC1(O)CC1)NO;AHZUNTLTWMZUPJ-UHFFFAOYSA-N;146.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324854;MM324854;C#CC(C)CC=C(C)CC;XQHUIGXNVXZRSS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324855;MM324855;CN=C(CC1(F)CC1)NC;DEPCKEUGGYJHHQ-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324856;MM324856;C#CC(C)CC=C(C)CN;WEFSAQGMDURXLU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324857;MM324857;CN=C(CC1(F)CC1)NN;NDJKXKLOXPMBNT-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324858;MM324858;C#CC(C)CC=C(C)CO;CDWPVSRHKUTXIJ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324859;MM324859;CC=C(CC1(O)CC1)OC;SEPFCSBLHXQTJG-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324860;MM324860;C#CC(C)CC=C(F)CC;KUBDAWLSENKVHX-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324861;MM324861;COC(=CF)CC1(O)CC1;OFDTZLVHKSVGQI-UHFFFAOYSA-N;146.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324862;MM324862;C#CC(C)CC=C(F)CF;OPKWXEJBKLZLBX-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324863;MM324863;CC=C(CC1(F)CC1)OC;INICCCZOXMDMDN-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324864;MM324864;C#CC(N)CC=C(C)CC;AOCRYENKYYZKFT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324865;MM324865;COC(CC1(O)CC1)=NO;UVUXMFIGGNGQCS-UHFFFAOYSA-N;145.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324866;MM324866;C#CC(N)CC=C(C)CN;CSRDESGPBBHHSY-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324867;MM324867;COC(CC1(F)CC1)=NO;RTVRHHLOQDADKF-UHFFFAOYSA-N;147.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324868;MM324868;C#CC(N)CC=C(F)CC;OMKDOXGKKGIABR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324869;MM324869;CCC(=NC1(C)CC1)NC;FVVGQKFPUKPCQM-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324870;MM324870;C#CC(N)CC=C(F)CN;QHSDMSTVKFEYAB-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324871;MM324871;CCC(=NN)NC1(C)CC1;MKPVWMLZPMSIFM-UHFFFAOYSA-N;141.22;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324872;MM324872;C#CC(N)CC=C(F)CO;QPZYDQOTNLDXCU-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324873;MM324873;CC=CC(C)=CCCCO;SNWFHHMQFGWPKY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324874;MM324874;C#CC(N)CC=C(F)CF;DETFBFMLWDVRCI-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324875;MM324875;CN=C(CN)NC1(C)CC1;PCHXEIXENGZUMG-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324876;MM324876;C#CC(O)CC=C(C)CC;XTCMDRDFNHPEAK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324877;MM324877;CN=C(CO)NC1(C)CC1;MYGBYPUTWIRAIW-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324878;MM324878;C#CC(O)CC=C(F)CC;ZUNSWGMGYQXCGC-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324879;MM324879;CNC(=NN)NC1(C)CC1;VGEAVPMJKYNJFX-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324880;MM324880;CN=C(NN)NC1(C)CC1;VGEAVPMJKYNJFX-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324881;MM324881;C#CC(F)CC=C(C)CN;VKYZSAGPZJGQMF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324882;MM324882;CC1(NC(=NN)NN)CC1;IDDQBRQKKXCVFK-UHFFFAOYSA-N;143.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324883;MM324883;C#CC(F)CC=C(C)CF;LYZXFCYITTUHJW-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324884;MM324884;CN=C(NO)NC1(C)CC1;HSUPMXDVIHFZDT-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324885;MM324885;C#CC(C)CC=C(C)OC;ALZGCUNAOUAWCC-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324886;MM324886;CC=C(CC)OC1(C)CC1;FJRYBUNXLDBOCF-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324887;MM324887;C#CC(N)CC=C(C)OC;UPDOERNKJVRTEZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324888;MM324888;CC=C(CN)OC1(C)CC1;VLSSQROQALVCGH-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324889;MM324889;C#CC(C)NN=C(C)CC;WWAVDEXJGMVAHN-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324890;MM324890;CC1(OC(=CF)CN)CC1;FKANPOKVJDPVQJ-UHFFFAOYSA-N;145.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324891;MM324891;CCNc1c[nH]c(CC)n1;JYUUPZAQQTXQBR-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324892;MM324892;CC=C(CO)OC1(C)CC1;JHBMDNBVHDSXAQ-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324893;MM324893;C#CC(C)OC=C(C)CO;NTIQVWRRYNCVCZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324894;MM324894;CC1(OC(=CF)CO)CC1;JUAKWTIMXNREAF-UHFFFAOYSA-N;146.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324895;MM324895;C#CC(C)OC=C(F)CO;SNTFMQFKVDMZKR-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324896;MM324896;CC=C(CF)OC1(C)CC1;VQJZPWPVIOIOCA-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324897;MM324897;C#CC(C)OC=C(C)OC;MWVZVSKMLAAOLD-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324898;MM324898;CC=C(CN)CC1(C)CN1;RFZLLVJMKKYFTH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324899;MM324899;O=CC1CN2CC2(C=O)C1;JBSWYKJSOHLRME-UHFFFAOYSA-N;139.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324900;MM324900;CC1(CC(=CF)CN)CN1;KCPILLRIRISBIH-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324901;MM324901;C#CC(C)ON=C(C)OC;RLDBDDQUWVPZTH-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324902;MM324902;CC1(CC(CN)=NO)CN1;NDIASHQIVQTBNO-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324903;MM324903;C#CC(C)CC=C(C)C=C;QWIFORUORQGTJO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324904;MM324904;CN=C(CC1(C)CN1)NC;VTLOGPBDWDWWDB-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324905;MM324905;C#CC(C)CC=C(C)C=O;GGPSWYWUBHFROT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324906;MM324906;CN=C(CC1(C)CN1)NN;IGGLHPIJLWQSAC-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324907;MM324907;C#CC(C)CC=C(F)C=O;QXKBCAVJPBFOKS-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324908;MM324908;CC=C(CC)CC1(C)CO1;LJEIJOHGNLCJGJ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324909;MM324909;C#CC(C)CC=C(F)C#N;WHWVSIZVKYPWND-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324910;MM324910;CC=C(CN)CC1(C)CO1;XZFWXQXYFWYBTP-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324911;MM324911;C#CC(N)CC=C(C)C=C;PLQCRBXSSHZFDG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324912;MM324912;CC=C(CO)CC1(C)CO1;UIYLSMJFRHAYOP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324913;MM324913;C#CC(N)CC=C(F)C=C;QIUZRJHLJKRRTK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324914;MM324914;CC=C(CF)CC1(C)CO1;BQIRUAALAMSIGF-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324915;MM324915;CCC(CC1(C)CO1)=NN;FTHDTPKJMTZUFV-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324916;MM324916;C#CC(O)CC=C(C)C=C;DLMGCBFRIBOQEK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324917;MM324917;CN=C(CC1(C)CO1)NC;XOPPJTZWYCZVHK-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324918;MM324918;C#CC(O)CC=C(C)C#N;DUAMZZHOVNFMEU-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324919;MM324919;CN=C(CC1(C)CO1)NN;CAFDAJSMDPLMDX-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324920;MM324920;C#CC(O)CC=C(F)C=C;YPHVLWFTHKAYAH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324921;MM324921;CN=C(CC1(C)CO1)NO;ONOZKJZWAWLCCP-UHFFFAOYSA-N;144.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324922;MM324922;C#CC(F)CC=C(C)C=O;HGRFLOAUKVCFIM-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324923;MM324923;CC=C(CC1(C)CO1)OC;KFZGGXXNVFSOKR-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324924;MM324924;C#CC(C)NC=C(C)C#N;RQZFIYPAXRIWSM-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324925;MM324925;COC(CC1(C)CO1)=NO;SXMUKAGZRPEMAL-UHFFFAOYSA-N;145.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324926;MM324926;CNc1n[nH]c(NC)c1C;BXWQGIGELUJQEA-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324927;MM324927;CCC(C)CCC1(C)CC1;ZNYQYJKTXQYLJB-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324928;MM324928;CC=C(C#N)C1CC1CO;RXRUHIMTNZYCHW-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324929;MM324929;CC(CF)CCC1(C)CC1;QNNNFOGNMGCYLC-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324930;MM324930;C#CC(C)OC=C(C)C=C;QHFYHIRKJGXFIO-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324931;MM324931;CCC(N)CCC1(C)CC1;IPPZQQBSLRIJDH-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324932;MM324932;C#CC(C)OC=C(C)C#N;PTMLPKKMFLZUKU-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324933;MM324933;CC1(CCC(N)CN)CC1;YDTRWGOLMAUSPQ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324934;MM324934;C#CC(C)OC=C(F)C=C;UPAMPLSYTVCYOD-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324935;MM324935;CC1(CCC(N)CO)CC1;JPYFGSPOHYFGHV-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324936;MM324936;C#CC(C)ON=C(C)C=C;VLCDDXFQKYLWOG-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324937;MM324937;CC1(CCC(N)CF)CC1;XKDAHNQRHPYHHL-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324938;MM324938;C#CC(C)ON=C(C)C#N;LSIGRVQSOXZZJZ-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324939;MM324939;CC(C=CF)=CCCCO;PIOVLRFBPZYLAZ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324940;MM324940;C#CC(C)=CCC(C)C#C;VODUAJBBBKQHSY-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324941;MM324941;CC1(CCC(O)CN)CC1;XJASNXSXKFTGIT-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324942;MM324942;C#CC(C)=CCC(N)C#C;IHARTMLVJIHXLD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324943;MM324943;CC1(CCC(O)CO)CC1;AAUWNPCZEFMZHX-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324944;MM324944;C#CC(C)=CCC(O)C#C;ARLIPGCLGYWXTB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324945;MM324945;CCC(F)CCC1(C)CC1;PCHLUFZICKMTRR-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324946;MM324946;C#CC(C)=CCC(F)C#C;LVONRVHYNORPKE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324947;MM324947;CCC(C)CCC1(N)CC1;MAXHWBHFUXFKOT-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324948;MM324948;C#CC(C)=NNC(C)C#C;UVUXSCZYPKMWPR-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324949;MM324949;CC(CF)CCC1(N)CC1;LQFHUIBYROEZAH-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324950;MM324950;C#CC(C)=NOC(C)C#C;SFNYTOATHYVLCT-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324951;MM324951;CCC(N)CCC1(N)CC1;ZEINSNWLCJWGRS-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324952;MM324952;C=C(CC)CC=C(C)CC;HANIPIMWKCTGTK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324953;MM324953;NCC(N)CCC1(N)CC1;JPPGSSVKCVIBGU-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324954;MM324954;C=C(CC)CC=C(C)CN;DOFHTJVHHNGSRE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324955;MM324955;CCC(O)CCC1(N)CC1;RBHPLDXELNKLMD-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324956;MM324956;C=C(CC)CC=C(C)CO;ITYJJNZPPYJOSZ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324957;MM324957;CCC(F)CCC1(N)CC1;YLXHEAQOPPTZCZ-UHFFFAOYSA-N;145.22;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324958;MM324958;C=C(CC)CC=C(C)CF;QJBSQBJHFRSQBL-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324959;MM324959;NC1(CCC(F)CO)CC1;GYYWEHRSXNYSRY-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324960;MM324960;C=C(CN)CC=C(C)CC;RBOUHLRPIXWNER-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324961;MM324961;NC1(CCC(F)CF)CC1;DAACBWPQUDSDQC-UHFFFAOYSA-N;149.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324962;MM324962;C=C(CN)CC=C(C)CF;YQVZDHXVTHIGFB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324963;MM324963;CC#CC(C)=CCCCO;SHSUZUVVLDLTKI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324964;MM324964;C=C(CO)CC=C(C)CC;BSEZEWUOEVQJTO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324965;MM324965;CC(CN)CCC1(O)CC1;QHCNXESKKUTPHQ-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324966;MM324966;C=C(CO)CC=C(C)CO;KIWIEPVBDDPYOW-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324967;MM324967;CC#CC(F)=CCCCO;KUSHLORSUVEXLP-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324968;MM324968;C=C(CO)CC=C(C)CF;AECFHTIDQMTCSG-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324969;MM324969;CCC(N)CCC1(O)CC1;YGRJHIWXMWWRFB-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324970;MM324970;C=C(CF)CC=C(C)CC;OXNOLUSFAFMOKW-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324971;MM324971;NCC(N)CCC1(O)CC1;HQRPPMOWZUXZBV-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324972;MM324972;NC(CF)CCC1(O)CC1;HDKYCURLEITMDW-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324973;MM324973;C=C(CF)CC=C(C)CN;SQRWLZNXMDDINU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324974;MM324974;CCC(O)CCC1(O)CC1;AILSMYGCIFQQEL-UHFFFAOYSA-N;144.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324975;MM324975;C=C(CF)CC=C(C)CO;JZJSTVPWTCAXRD-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324976;MM324976;NCC(O)CCC1(O)CC1;JYHRODVOWYYUDI-UHFFFAOYSA-N;145.2;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324977;MM324977;C=C(CN)CC=C(F)CC;NFQGGTPKFHVEFX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324978;MM324978;OCC(O)CCC1(O)CC1;WMDHJPGSGAKPTP-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324979;MM324979;C=C(CN)CC=C(F)CN;QLBAVFNMJGHEDA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324980;MM324980;CCC(F)CCC1(O)CC1;ZMKSFIKCKWFVTA-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324981;MM324981;C=C(CN)CC=C(F)CO;MBOPKNGTJHFBNQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324982;MM324982;NCC(F)CCC1(O)CC1;WZLKUKRNFWJEBU-UHFFFAOYSA-N;147.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324983;MM324983;C=C(CN)CC=C(F)CF;YTXJKNILYLOFLB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324984;MM324984;CCC(C)CCC1(F)CC1;NUOCYORGXKWMHS-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324985;MM324985;C=C(CO)CC=C(F)CC;LMINXQDDMXWOSH-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324986;MM324986;CC(CN)CCC1(F)CC1;OUSXKUBMZSYDSW-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324987;MM324987;C=C(CO)CC=C(F)CF;QJKCWTGJKWPYPP-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324988;MM324988;CCC#CC=C(C)CCO;LOCOTVZDLIZJCF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324989;MM324989;CCC(=O)CC=C(C)CC;OQNPUMHEOSFGCK-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324990;MM324990;NCC(N)CCC1(F)CC1;HSSSYIURVBAJLO-UHFFFAOYSA-N;146.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324991;MM324991;CCC(=O)CC=C(C)CF;PRSOGAUYBYKAAF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324992;MM324992;NC(CF)CCC1(F)CC1;SCIFOHLKZWTDQV-UHFFFAOYSA-N;149.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324993;MM324993;CCC(C)=CCC(=O)CF;GONWHPMECLJUFO-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324994;MM324994;OCC(O)CCC1(F)CC1;BARUQYLOVXHVCY-UHFFFAOYSA-N;148.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324995;MM324995;CCC(=O)CC=C(F)CO;IUDXSWUOTQKAMF-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324996;MM324996;NCC(F)CCC1(F)CC1;SOTUEQHZNDQKCS-UHFFFAOYSA-N;149.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324997;MM324997;C=C(CC)CC=C(C)OC;QUNBYSIMKICTLO-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324998;MM324998;CNC(C)CCC1(C)CC1;VFVWSUGOHOZCNN-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM324999;MM324999;C=C(CN)CC=C(C)OC;IDRWOCSNOPFHLL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325000;MM325000;CNC(C)CCC1(N)CC1;WOHAQXZGVHTZTQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325001;MM325001;C=C(CO)CC=C(C)OC;XVNYDCIMIAKRKJ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325002;MM325002;CNC(C)CCC1(O)CC1;STOYCUAUWYRDEA-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325003;MM325003;C=C(CF)CC=C(C)OC;KVAPYRJAMPRCPB-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325004;MM325004;CNC(C)CCC1(F)CC1;ATGJMXRRCATIOC-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325005;MM325005;CCC(=O)CC=C(C)OC;CDAGGFAGMIQMCM-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325006;MM325006;CCC(C)NCC1(C)CC1;RLYWZMVWXWFLGH-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325007;MM325007;CCC(C)=CCC(=N)NC;MIVNCCMTHUEUPT-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325008;MM325008;CCC(C)NCC1(N)CC1;HLTCMXZQRVGNMZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325009;MM325009;CNC(=N)CC=C(C)CN;MFQFDIUNXTYQTQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325010;MM325010;CC(CN)NCC1(N)CC1;ANMZCKNJYNHROL-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325011;MM325011;CCC(C)=CCC(=N)NN;JEPZSNLNHBNFEB-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325012;MM325012;CCC(C)NCC1(O)CC1;IEZUUWWZRZPTDW-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325013;MM325013;CC(=CCC(=N)NO)CN;SMAGEPMIGBAWQR-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325014;MM325014;CC(CN)NCC1(O)CC1;AAMZKYZBJJHCAI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325015;MM325015;CNC(=N)CC=C(F)CO;HQGWQUPOWMNDHN-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325016;MM325016;CC(CF)NCC1(O)CC1;YHPPTVBTBDIVHH-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325017;MM325017;CCC(F)=CCC(=N)NN;NDVUVYFVARIYDF-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325018;MM325018;CCC(C)OCC1(N)CC1;XOIOUCSPWLRKMI-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325019;MM325019;N=C(CC=C(F)CF)NN;FSJPSBDMOWLYOL-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325020;MM325020;CCC(C)OCC1(O)CC1;COXYZBJGLBVVMT-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325021;MM325021;CC=NN=CNN=CC=O;OWKAIIOPOOXLHI-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325022;MM325022;CCC(C)CNC1(C)CC1;SUAVFQODWYEBMP-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325023;MM325023;CNC(=O)CC=C(C)CO;KXDQYWGCYQQSES-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325024;MM325024;CC(CF)CNC1(C)CC1;CHSZRENYRXPCGC-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325025;MM325025;CC1(C)NCC1=O;DUOQLFIRTVLKHS-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325026;MM325026;CCC(N)CNC1(C)CC1;KYINXICZFXUOAJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325027;MM325027;CCC(O)CNC1(C)CC1;ILVNKPNHIBLBNL-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325028;MM325028;C=CCC(=C)C(=C)CO;CPZOAGZEVUDQKH-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325029;MM325029;CC1(NCC(O)CF)CC1;TZPNCPDSGITJPI-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325030;MM325030;CCC(C)=CCC(=O)NO;GLNUWPCUILFCMD-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325031;MM325031;CC(CF)COC1(C)CC1;CFJXYXWBCRIQLA-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325032;MM325032;CCC(F)=CCC(=O)NC;SEBVYTGTRZIOSO-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325033;MM325033;CCC(N)COC1(C)CC1;XLKYIBIXQRFLDU-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325034;MM325034;CNC(=O)CC=C(F)CF;YJTVXTUDFSIJDL-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325035;MM325035;CC1(OCC(N)CN)CC1;ZXCHFAAIQPPYLB-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325036;MM325036;CNC(=N)CC=C(C)OC;BCCVZVQASLOYFS-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325037;MM325037;CCC(O)COC1(C)CC1;RGZXTCMTYAMAQU-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325038;MM325038;CNC(=O)CC=C(C)OC;OVPKPTUDOZLOJA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325039;MM325039;CC1(OCC(O)CO)CC1;KLIHPHZTQQWGBI-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325040;MM325040;C=CC=C(C)C(=C)CO;NMPJMVNATNLNQS-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325041;MM325041;CCN(C)CCC1(C)CC1;TUEUWGCSECILAJ-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325042;MM325042;C=C(CC=C(C)CC)OC;RBGHCAGXLQMNAF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325043;MM325043;CCN(C)CCC1(N)CC1;UOVBNRSPWSTJBR-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325044;MM325044;C=C(CC=C(C)CN)OC;RTRJJRKMKYHCBN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325045;MM325045;CCN(C)CCC1(O)CC1;GXTCOTPPPAZPLE-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325046;MM325046;COC(=O)CC=C(C)CN;BNVYPURPIGOJNY-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325047;MM325047;CCN(C)CCC1(F)CC1;MTJUMNPYMJHKDX-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325048;MM325048;C=C(CO)C(C)=CC=O;IRYHMVAIQWFOQR-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325049;MM325049;CCC(N)CCC1(C)CN1;VIJAJNQUBYZKLE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325050;MM325050;CCC(=N)NC=C(C)CC;HPNOCPINJVXINF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325051;MM325051;CC1(CCC(N)CN)CN1;KGVCYSXXNIYVPS-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325052;MM325052;CCC(=N)NC=C(C)CF;BPUAWPQNFYYHPN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325053;MM325053;CC1(CCC(N)CO)CN1;DSTFFKXOYJYPCW-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325054;MM325054;CC(=CNC(=N)CN)CN;YEWOCCGSQWTHBZ-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325055;MM325055;CC1(CCC(N)CF)CN1;XPPRQXVHTAEASI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325056;MM325056;CC(=CNC(=N)CO)CN;IIGGQRNVJWSOLD-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325057;MM325057;CC1(CCC(O)CN)CN1;UNHYPQGONQEMBY-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325058;MM325058;CC(=CNC(=N)CO)CO;SEBQDHSUSUBRFA-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325059;MM325059;CNC(C)CCC1(C)CN1;UDBBIWFRSQXRSS-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325060;MM325060;CCC(=N)NC=C(F)CN;WYAAIYZZMNPNKV-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325061;MM325061;CCC(C)NCC1(C)CN1;ZQCBBPWQJIPOPP-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325062;MM325062;N=C(CN)NC=C(F)CO;BZARUVSMVXFMTR-UHFFFAOYSA-N;147.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325063;MM325063;CCN(C)CCC1(C)CN1;PROVLXZLMQEWAS-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325064;MM325064;N=C(CO)NC=C(F)CO;WHFSCXAWWMCDLS-UHFFFAOYSA-N;148.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325065;MM325065;CCC(C)CCC1(C)CO1;OOEYEDRTWCYLJW-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325066;MM325066;C=CC(C(N)=O)C(C)C;CVFGDXSUFZRTTR-UHFFFAOYSA-N;127.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325067;MM325067;CC(CN)CCC1(C)CO1;VOEOYNSPMBFATN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325068;MM325068;CC(CF)CCC1(C)CO1;UUMBRXOMNVCFSD-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325069;MM325069;CCC(=O)NC=C(C)CC;KXOBXAFFEPFERN-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325070;MM325070;CCC(N)CCC1(C)CO1;MTFWYCIMPQIQPO-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325071;MM325071;CCC(=O)NC=C(C)CN;GOMZAHYKMOHMCJ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325072;MM325072;CC1(CCC(N)CO)CO1;UPMKZCMGZKFSLK-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325073;MM325073;CCC(=O)NC=C(C)CF;FNOKLKPZPFPHGX-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325074;MM325074;CC1(CCC(N)CF)CO1;LPWLXCPNURERBF-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325075;MM325075;CC(=CNC(=O)CO)CN;PQZJBDIGMWADCQ-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325076;MM325076;CCC(O)CCC1(C)CO1;WKBRTEJJWIQEHJ-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325077;MM325077;CCC(C)=CNC(=O)CF;QDPUDDZLGOIRND-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325078;MM325078;CC1(CCC(O)CN)CO1;UJUFNGUOSPPBPB-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325079;MM325079;O=C(CO)NC=C(F)CO;OFWOYVKLSIUAGM-UHFFFAOYSA-N;149.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325080;MM325080;CC1(CCC(O)CO)CO1;GFPWBANYPUQKFW-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325081;MM325081;CCC(=N)NC=C(C)OC;FJPFOYJEVXKOAD-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325082;MM325082;CNC(C)CCC1(C)CO1;DXALWYYDXZXKIJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325083;MM325083;COC(C)=CNC(=N)CO;BXLUTMIXAFQKKF-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325084;MM325084;CCN(C)CCC1(C)CO1;JSXYUIHTUCFRNF-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325085;MM325085;COC(C)=CNC(=O)CF;CEMHQOOBJKSTQW-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325086;MM325086;C=CC(C)CCC1(C)CC1;LJVKCIQQYSYCCV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325087;MM325087;CCC(C)=CNC(=N)NC;HJXAXPGAMMLBHW-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325088;MM325088;CC(C=O)CCC1(C)CC1;KBXLMDPDKOYXHS-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325089;MM325089;CNC(=N)NC=C(C)CN;MOCMGBPSBMRJQF-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325090;MM325090;CC(C#N)CCC1(C)CC1;WGOOIHWESYGHKO-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325091;MM325091;CNC(=N)NC=C(C)CO;WQUNILNRKJSJQB-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325092;MM325092;C=NN=CCC(F)C(C)=O;QWTOXGDOGXHICK-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325093;MM325093;CNC(=N)NC=C(C)CF;XNEZTKRNHWNPGW-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325094;MM325094;CC1(CCC(F)C=O)CC1;HIDSXTAGEIHWGX-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325095;MM325095;CCC(C)=CNC(=N)NO;YTPNHJFCBWTMTN-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325096;MM325096;C=CC(C)CCC1(N)CC1;WBCJBKYYHMKELE-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325097;MM325097;CC(=CNC(=N)NO)CN;XPYRTFWHXVZWJH-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325098;MM325098;C=CC(O)CCC1(N)CC1;YDSCBYLWOVTORZ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325099;MM325099;CC(=CNC(=N)NO)CO;LWSHXJPCOCQAFG-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325100;MM325100;CC(=CCCCO)C(C)F;NXEKRYVCOAYRPX-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325101;MM325101;CCC(F)=CNC(=N)NC;HEZJCMINAHZZKY-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325102;MM325102;CC(C)C(F)=CCCCO;SJVMGFZVRIWTJO-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325103;MM325103;CCC(F)=CNC(=N)NN;IHTSOQLSGAVDNX-UHFFFAOYSA-N;146.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325104;MM325104;C=CC(O)CCC1(O)CC1;VQRFCAOKFHPJDC-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325105;MM325105;N=C(NN)NC=C(F)CO;RUVZWTDHQHWDET-UHFFFAOYSA-N;148.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325106;MM325106;O=CC(O)CCC1(O)CC1;JDTZQNZYVQDCPI-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325107;MM325107;N=C(NN)NC=C(F)CF;OXDFHALBGDXVNB-UHFFFAOYSA-N;150.13;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325108;MM325108;N#CC(O)CCC1(O)CC1;SSHAYRYTZGIPLK-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325109;MM325109;N=C(NO)NC=C(F)CO;XKMLIIAIOGMRFP-UHFFFAOYSA-N;149.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325110;MM325110;C=CC(F)CCC1(O)CC1;PJICZHKWQPCVGO-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325111;MM325111;N=C(NO)NC=C(F)CF;NNFLVQOITXNDKI-UHFFFAOYSA-N;151.12;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325112;MM325112;N#CC(F)CCC1(O)CC1;MYCGLPMDESHGBZ-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325113;MM325113;CNC(=O)NC=C(C)CO;KVMHATCSSPUGLR-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325114;MM325114;CC(C=O)CCC1(F)CC1;YUCBXYBZFQEOKZ-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325115;MM325115;CC(=CNC(=O)NO)CN;GBUFUMONVUGUPK-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325116;MM325116;C=CC(N)CCC1(F)CC1;FYAKYIUYXQEAMA-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325117;MM325117;CC(=CC#N)C1CC1O;WWZXEMLPKFHELL-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325118;MM325118;C=CC(O)CCC1(F)CC1;ZUEMVQLOQYUOIS-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325119;MM325119;NNC(=O)NC=C(F)CF;GXNFCGVTWYWWLZ-UHFFFAOYSA-N;151.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325120;MM325120;N#CC(O)CCC1(F)CC1;UVTHRZSHOZHKKP-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325121;MM325121;O=C(NO)NC=C(F)CO;QQVYJAKWSCQUIO-UHFFFAOYSA-N;150.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325122;MM325122;O=CC(F)CCC1(F)CC1;DDAOJOVSROISSA-UHFFFAOYSA-N;148.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325123;MM325123;COC(C)=CNC(=N)NN;MJMPSEWJHQVEAO-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325124;MM325124;N#CC(F)CCC1(F)CC1;AZVGUZNIUFBYKD-UHFFFAOYSA-N;145.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325125;MM325125;COC(C)=CNC(=N)NO;FEIMVUVMSJFGEA-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325126;MM325126;CC(C#N)NCC1(C)CC1;LVAFZAAEOSFDHI-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325127;MM325127;C=CC=CC(=CC)CO;CPCFLEUCFVLOOZ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325128;MM325128;C=CC(C)NCC1(N)CC1;RUGINZVUFJVQKK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325129;MM325129;COC(C)=CNC(=O)NO;FGSFVFZITVCSIX-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325130;MM325130;C=CC(C)OCC1(N)CC1;UQQPTCLKBKZPND-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325131;MM325131;CCC(C)=CNC(=N)OC;ZOSWEQVRQVPJAP-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325132;MM325132;CC(C#N)OCC1(F)CC1;CWJWFAYZZABASV-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325133;MM325133;COC(=N)NC=C(C)CO;IANNUYGHRSXXKL-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325134;MM325134;C=CC(F)CNC1(C)CC1;JJQZTGQUDNABEA-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325135;MM325135;CCC(C)=CNC(=O)OC;FEIHYVFQOOSCRR-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325136;MM325136;C=CC(N)COC1(C)CC1;GBXXRRWBCDBSEO-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325137;MM325137;COC(=O)NC=C(C)CN;NQRWZTBQSOXNRX-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325138;MM325138;CN(C=N)CCC1(C)CC1;SDTJUZYMVCCBHN-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325139;MM325139;COC(=O)NC=C(F)CO;YPYSZJOKASXOMY-UHFFFAOYSA-N;149.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325140;MM325140;CN(C=O)CCC1(C)CC1;NUHAMFXRJGXVGL-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325141;MM325141;CC=C(C=CC=O)CO;JYZGVQKRWUOBLM-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325142;MM325142;CC1(CCN(N)C=N)CC1;CLUCRJMFSRPESR-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325143;MM325143;C=CCC=C(C=C)CO;HCGNPIRYHFZBKF-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325144;MM325144;CC1(CCN(N)C=O)CC1;CEXRDNDZURTVOF-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325145;MM325145;CCC(=O)NN=C(C)CN;ICNNKDIKZAOWET-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325146;MM325146;CC1(CCN(O)C=O)CC1;GFLKIJQTDWAJTD-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325147;MM325147;CCC(=O)NN=C(C)CF;VOZKMYFLYGDXBE-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325148;MM325148;CN(C=N)CCC1(N)CC1;MNQBCJPXYSOZQP-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325149;MM325149;CC(CO)=NNC(=O)CO;SXQBYXXBTBVMEH-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325150;MM325150;CN(C=O)CCC1(N)CC1;WPYFHJNKJILWHG-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325151;MM325151;CC(CF)=NNC(=O)CO;ZKKHBRQAZUNQJD-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325152;MM325152;NC1(CCN(O)C=O)CC1;YHXYFCGABCMRKC-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325153;MM325153;CC(CO)=NNC(=O)CF;HRTRCECVPRLZRN-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325154;MM325154;CN(C=N)CCC1(O)CC1;KNICQSIYCXXOIW-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325155;MM325155;COC(C)=NNC(=O)CO;XTQFXMUOQBILHO-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325156;MM325156;CN(C=O)CCC1(O)CC1;GBOQUQREIRCPJY-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325157;MM325157;CC(CO)=NNC(=N)NN;YOOZAKARSJHKDK-UHFFFAOYSA-N;145.17;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325158;MM325158;N=CN(N)CCC1(O)CC1;STSLNSCGYIHMKJ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325159;MM325159;CNC(=O)NN=C(C)CN;MBHNXTMICNSVBY-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325160;MM325160;C=C(C)C(C)=CCCCO;JURHHSBSTPUXEP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325161;MM325161;CNC(=O)NN=C(C)CF;CGFVIKOGCDYRCE-UHFFFAOYSA-N;147.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325162;MM325162;N=CN(O)CCC1(O)CC1;WHKUUASXWGFEQC-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325163;MM325163;CC(CO)=NNC(=O)NN;NYRCVZOKOQQNQS-UHFFFAOYSA-N;146.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325164;MM325164;O=CN(O)CCC1(O)CC1;GWXWACSUDBFTTB-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325165;MM325165;CC(CN)=NNC(=O)NO;CSOGXWLUAPFKPW-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325166;MM325166;N=CN(N)CCC1(F)CC1;YDQKXMLGOZYPHE-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325167;MM325167;CC(CO)=NNC(=O)NO;QVCPLZLVFNYUIS-UHFFFAOYSA-N;147.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325168;MM325168;NN(C=O)CCC1(F)CC1;VSQRTLHXMZORPJ-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325169;MM325169;C=CN(N)C(=O)C1CN1;OEAQTWPLNVXKFY-UHFFFAOYSA-N;127.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325170;MM325170;N=CN(O)CCC1(F)CC1;MERORQRCZPGZCS-UHFFFAOYSA-N;146.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325171;MM325171;COC(=O)NN=C(C)CO;YCGGWPGOSWYMKJ-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325172;MM325172;O=CN(O)CCC1(F)CC1;OBPSASWBZJINTD-UHFFFAOYSA-N;147.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325173;MM325173;CC(C)(C)C(N)=CC(N)=O;BRVIBNHURURKTL-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325174;MM325174;C=NN(C)CCC1(C)CC1;BZUORHYMKFDEEB-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325175;MM325175;COC(=O)NN=C(C)OC;FTQGLASQGMROJW-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325176;MM325176;CN(C=O)NCC1(C)CC1;PNEPNRXYFLWCKW-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325177;MM325177;C=C(CC)OC=C(C)CC;CNANGWKGUVUUNS-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325178;MM325178;CN(C=N)NCC1(N)CC1;LXWGFDFNBYPHTD-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325179;MM325179;C=C(CN)OC=C(C)CN;JCPCWRDZATUFTM-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325180;MM325180;CN(C=O)NCC1(N)CC1;MNCYEFKPUQRJDC-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325181;MM325181;C=C(CN)OC=C(C)CO;NTWIOKQIISBQCZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325182;MM325182;CN(C=N)NCC1(O)CC1;PLYSKFBBEZNNIN-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325183;MM325183;C=C(CO)OC=C(C)CC;OLSDGRNPIKQRAD-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325184;MM325184;CC(=O)C(C)=CCCCO;JXIKARFRLNDFJL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325185;MM325185;C=C(CO)OC=C(C)CN;IWWPUAWHFFMVJN-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325186;MM325186;CN(C=N)OCC1(C)CC1;APFXDDOXGRWEAT-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325187;MM325187;C=C(CO)OC=C(F)CC;LNNULVXPYUNMJP-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325188;MM325188;CN(C=N)OCC1(N)CC1;IFWGUHUAGSXABD-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325189;MM325189;C=C(CF)OC=C(F)CO;TXTPHUWLPBEXFB-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325190;MM325190;CN(C=O)OCC1(N)CC1;IMMRUJUAXUGVGL-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325191;MM325191;CCC(C)=COC(=O)CO;RNBMHFFXHKBRPE-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325192;MM325192;CN(C=O)OCC1(O)CC1;LWUQLWAVBJBBLN-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325193;MM325193;CCC(C)=COC(=O)CF;BHOYIPODBRNWAT-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325194;MM325194;CN(C=O)OCC1(F)CC1;NASHPVWTYZISSN-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325195;MM325195;CC(=COC(=O)CF)CF;ZJBAZQNJYAAJOU-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325196;MM325196;CN(C=N)CCC1(C)CN1;UEOLDEUNHYUCEM-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325197;MM325197;C=C(CC)OC=C(C)OC;KJAMRWSCGNHOCI-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325198;MM325198;CC1(CCN(N)C=N)CN1;GDQGUIYXNAMECR-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325199;MM325199;C=C(CN)OC=C(C)OC;BXGHFRHWUOXRGZ-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325200;MM325200;CN(C=N)NCC1(C)CN1;AWBUCIVMFWRXJZ-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325201;MM325201;CCC(C)=COC(=O)OC;CILJEMZVTIMGEJ-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325202;MM325202;CN(C=N)OCC1(C)CN1;NMKUQRBSAISSSD-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325203;MM325203;COC(=O)OC=C(C)CF;ZGNFPXDOVRWWLL-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325204;MM325204;C=CC(C)CCC1(C)CO1;YBLIGEGUXWKCNV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325205;MM325205;CCC(=O)ON=C(C)CF;ZGZJLAIYHSAELD-UHFFFAOYSA-N;147.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325206;MM325206;CC(C#N)CCC1(C)CO1;GAZWFHGQBVEXDE-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325207;MM325207;CCC(C)=NOC(=O)CO;UKUPGPMKONRVCG-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325208;MM325208;C=CC(O)CCC1(C)CO1;UDYIXODAEYJQQR-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325209;MM325209;CC(CN)=NOC(=O)CO;VOBNTSFADJWQEU-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325210;MM325210;CC1(CCC(O)C#N)CO1;QIWVRCRAIUKJOM-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325211;MM325211;CC(CF)=NOC(=O)CO;NQUGNPKFPKLAOG-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325212;MM325212;C=CC(F)CCC1(C)CO1;NZAHWXOYFBIMPE-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325213;MM325213;CC(CN)=NOC(=O)CF;ZDEFQZPFHDGPOJ-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325214;MM325214;CC1(CCC(F)C#N)CO1;PECGWSUYFZABAT-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325215;MM325215;CC(CF)=NOC(=O)CF;GPZBCBJYONWAPV-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325216;MM325216;CN(C=N)CCC1(C)CO1;AHDPUNZLYAYIRE-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325217;MM325217;COC(C)=NOC(=O)CO;RZGAAWYHCTVUMP-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325218;MM325218;CN(C=O)CCC1(C)CO1;WAVXNZAADCYYKS-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325219;MM325219;COC(C)=NOC(=O)CF;LZPWLGCVRLMVNU-UHFFFAOYSA-N;149.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325220;MM325220;CC1(CCN(N)C=N)CO1;PKNUZVKGFPWVPG-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325221;MM325221;CC(C)=CC(C)(C)C(N)=O;BXPQXLINRCUUCL-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325222;MM325222;CC1(CCN(O)C=O)CO1;BICRHPIKTCBLQJ-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325223;MM325223;CC(=CC(N)=O)NC(C)C;KIUQLRTWIQHYNK-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325224;MM325224;C=NN(C)CCC1(C)CO1;MAWURAUSGMOHLE-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325225;MM325225;CC(CO)=NOC(=O)NN;CZBDETZQAWISDX-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325226;MM325226;CN(C=N)NCC1(C)CO1;QCTFEGNRJLPECO-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325227;MM325227;CNC(=O)ON=C(C)OC;WZHIGSFMGXIGLB-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325228;MM325228;CN(C=O)OCC1(C)CO1;ZJJATPCWYRXJTL-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325229;MM325229;CCC(C)=NOC(=O)OC;BZJZTBBETXSWDX-UHFFFAOYSA-N;145.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325230;MM325230;C#CC(C)CCC1(C)CC1;GHCGJVBZBILXCF-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325231;MM325231;C=CC(C)=CCC(=C)CC;XYCSVOODGHRLDW-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325232;MM325232;C#CC(N)CCC1(C)CC1;XACYSUHBDYMVKV-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325233;MM325233;C=C(CC)CC=C(C)C=O;ZXOXTVHQYJOREV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325234;MM325234;C#CC(O)CCC1(C)CC1;ZLZYIVWBDUUPGS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325235;MM325235;C=C(CC)CC=C(C)C#N;WXGFRDSXDXHAQI-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325236;MM325236;C#CC(C)CCC1(N)CC1;WVNKEYCDPYRWJG-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325237;MM325237;C=CC(C)=CCC(=C)CN;NVWCSTGHPAUSOS-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325238;MM325238;C#CC(N)CCC1(N)CC1;WBPPSBSVCGOGQX-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325239;MM325239;C=CC(C)=CCC(=C)CO;JSMOBEGFXDLYFX-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325240;MM325240;C=C(F)C(C)=CCCCO;BRTYWADBRGJWFD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325241;MM325241;C=C(CO)CC=C(C)C=O;KNRYGOCTAAKVBR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325242;MM325242;C#CC(F)CCC1(O)CC1;WJPZKCKYCIWCIW-UHFFFAOYSA-N;142.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325243;MM325243;C=C(CO)CC=C(C)C#N;SGFKEBVPSSAHHC-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325244;MM325244;C#CC(C)CCC1(F)CC1;PWXABRLQMGZDPS-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325245;MM325245;C=CC(C)=CCC(=C)CF;MCOFWDUGDVJTQQ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325246;MM325246;C#CC(O)CCC1(F)CC1;WBANSIVPUBMEIP-UHFFFAOYSA-N;142.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325247;MM325247;C=C(CF)CC=C(C)C=O;VHEBNICEUCVHGO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325248;MM325248;C#CC(F)CCC1(F)CC1;DCMPPVSZXMVGTA-UHFFFAOYSA-N;144.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325249;MM325249;C#CC(C)OCC1(C)CC1;IEJICMSMZVEZFF-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325250;MM325250;C=C(CF)CC=C(C)C#N;UQHPIFLNLAKWNJ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325251;MM325251;C#CC(C)OCC1(N)CC1;FEMUIOJWHVHQGZ-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325252;MM325252;C=CC(F)=CCC(=C)CO;DUGZKWWNPKJLON-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325253;MM325253;C=CC(F)=CCC(=C)CF;BZFBVGAWNVYSNE-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325254;MM325254;C#CC(C)OCC1(F)CC1;ZIFDGURLVKTAPE-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325255;MM325255;C=CC(C)=CCC(=O)CC;BEAYASXFPHZWOE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325256;MM325256;C#CC(C)CNC1(C)CC1;JUMVTQIPQHIGBA-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325257;MM325257;CCC(=O)CC=C(C)C=O;QLFQUTHMCSQDNN-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325258;MM325258;C#CC(C)NCC1(C)CN1;KANNRVNGWZSADY-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325259;MM325259;CC(C=O)=CCC(=O)CO;AYRZKSCAZVABLH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325260;MM325260;C#CC(C)CCC1(C)CO1;PRFIRVLGOPHPOX-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325261;MM325261;CC(C#N)=CCC(=O)CO;NDANYZOKERWGEW-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325262;MM325262;C#CC(N)CCC1(C)CO1;ZSDVFLBBJJIJME-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325263;MM325263;C=CC(C)=CCC(=O)CF;SAHYGNUOKFYLPJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325264;MM325264;C#CC(F)CCC1(C)CO1;WLNFYIFVFHIQGK-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325265;MM325265;CC(C=O)=CCC(=O)CF;XCMTUZPUNZTTQH-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325266;MM325266;C=C(CC)CCC1(C)CC1;FYVWQRPGFZYXLE-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325267;MM325267;C=CC(F)=CCC(=O)CC;OFOUUDKDSGIKBR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325268;MM325268;C=C(CN)CCC1(C)CC1;BRDACBOYFKQASO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325269;MM325269;O=CC(F)=CCC(=O)CF;RDINKDCKEGDWQM-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325270;MM325270;C=C(CO)CCC1(C)CC1;GVNOVIIICVMXGR-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325271;MM325271;N#CC(F)=CCC(=O)CF;WTHPMWMNASMWOT-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325272;MM325272;C=C(CF)CCC1(C)CC1;VHCNRMAGGATCTG-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325273;MM325273;C=CC(C)=CCC(=N)NC;QPYMUBYZVKEDFW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325274;MM325274;CCC(=O)CCC1(C)CC1;YPHZEYPUCJGFCY-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325275;MM325275;CN=C(N)CC=C(F)C=O;DKSFNZKBVLJEIH-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325276;MM325276;CC1(CCC(=O)CO)CC1;XURDPHOHGXFZAJ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325277;MM325277;CNC(=O)CC=C(C)C=O;PBORGSMEZJQRKB-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325278;MM325278;C=C(CC)CCC1(N)CC1;DUZKCBQLLKJOEE-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325279;MM325279;C=CC(C)=CCC(=O)NO;DOVFGAWJVVMHBM-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325280;MM325280;C=C(CN)CCC1(N)CC1;WACLGNSXEBREOL-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325281;MM325281;C=CC(F)=CCC(=O)NC;JSUQKOCVGGKSJU-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325282;MM325282;C=C(CO)CCC1(N)CC1;PEKCOOYNNKJUSX-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325283;MM325283;CNC(=O)CC=C(F)C#N;YMYGGFSZFIZXKG-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325284;MM325284;C=C(CF)CCC1(N)CC1;AGTYYFXERVCWJJ-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325285;MM325285;C#CC#CC(=C)C(C)(C)O;UCFFBOLVIXVBPT-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325286;MM325286;C=C(C)C(F)=CCCCO;CUCUCKWBXQPNJX-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325287;MM325287;C=CC(F)=CCC(=O)NO;IYOMETHEJIRHDP-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325288;MM325288;CC(=O)C(F)=CCCCO;PEYKEEVCAOVXSY-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325289;MM325289;C=C(CC=C(C)C#N)OC;FULFWQOWYBJQFN-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325290;MM325290;CCC(=O)CCC1(O)CC1;YFFXCTVHOXWWEX-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325291;MM325291;COC(=O)CC=C(C)C=O;NSRVKVCITKQGFT-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325292;MM325292;C=C(CC)CCC1(F)CC1;XBFAHJYCSPIDFA-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325293;MM325293;COC(=O)CC=C(C)C#N;AWSNYZJEPFPNPU-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325294;MM325294;C=C(CN)CCC1(F)CC1;DVKFEUQEBGHGCH-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325295;MM325295;C=CC(F)=CCC(=O)OC;DRRIUYHQGZYLIX-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325296;MM325296;CCC(=O)CCC1(F)CC1;JTFBJVLGEMLFOM-UHFFFAOYSA-N;144.19;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325297;MM325297;COC(=O)CC=C(F)C=O;QLIXWONDSZVXOP-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325298;MM325298;O=C(CO)CCC1(F)CC1;TYNKSNLJHBROPC-UHFFFAOYSA-N;146.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325299;MM325299;C=CC(C)=CNC(=N)CC;HMEQPPJGGFIHPS-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325300;MM325300;O=C(CF)CCC1(F)CC1;NYCMXYXZOVWTCF-UHFFFAOYSA-N;148.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325301;MM325301;CCC(=N)NC=C(C)C#N;VMHYAPIYZRENPK-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325302;MM325302;CC1(CCC(=N)NN)CC1;HLMDYZRVEFQGRU-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325303;MM325303;CC(C=O)=CN=C(N)CO;ZAAGUEDSCLHYEL-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325304;MM325304;N=C(CCC1(N)CC1)NO;AFJYPUOLVVDFOV-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325305;MM325305;CC(C#N)=CNC(=N)CO;NIGFYHXFSDECNY-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325306;MM325306;CNC(=N)CCC1(O)CC1;WBSWHLXLJTYYLQ-UHFFFAOYSA-N;142.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325307;MM325307;CCC(=N)NC=C(F)C#N;LRXQQJLFUFJLDR-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325308;MM325308;CNC(=N)CCC1(F)CC1;KECRQNFOGJNKOR-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325309;MM325309;CCC=CC(C)(C)C(N)=O;DULSGVFTENDKTK-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325310;MM325310;N=C(CCC1(F)CC1)NN;CDCFDXBEJOSCFO-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325311;MM325311;CC(C=O)=CNC(=O)CO;TYKKDYZOSNESDJ-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325312;MM325312;CC1(CNC(=N)CN)CC1;GGLMZUDSBWWTSN-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325313;MM325313;CC(C=O)=CNC(=O)CF;ZFPWGBNSJYNJOT-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325314;MM325314;CC1(CNC(=N)CO)CC1;KGDPAHOERBEPFB-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325315;MM325315;CC(C#N)=CNC(=O)CF;CPWSGFFRKRTBPQ-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325316;MM325316;C=C(C=CC=O)CCCO;DWNFJAVEADDYKZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325317;MM325317;N#CC(F)=CNC(=O)CO;GCQNOUHRLRHKBK-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325318;MM325318;CCC(=N)NCC1(F)CC1;CVAVCBYCNBZJMG-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325319;MM325319;N#CC(F)=CNC(=O)CF;UTAHBXWWCFTEBH-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325320;MM325320;C=C(CC)C(=C)CCCO;PVEQYPSVRWLROP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325321;MM325321;C=CC(C)=CNC(=N)NC;OQZPXECSFOXMIO-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325322;MM325322;C=C(CC)OCC1(N)CC1;GZQDNYQAFZPBFY-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325323;MM325323;CC(C=O)=CNC(=N)NO;MCZRWDYNXGYAKK-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325324;MM325324;C=C(CN)OCC1(N)CC1;CVYTYICYSGASQN-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325325;MM325325;C=CC(F)=CNC(=O)NC;FMJKTXXXTLYFCC-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325326;MM325326;C=C(CC)OCC1(O)CC1;NKFNABQLMGEZFG-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325327;MM325327;CCCNC(C)=CC(N)=O;PZEFOQJFGYUWGM-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325328;MM325328;C=C(CN)OCC1(O)CC1;URGBBXHTGCXAMJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325329;MM325329;C=CC(F)=CNC(=O)OC;YOFRPAMJXNFMBM-UHFFFAOYSA-N;145.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325330;MM325330;COC(=O)NC=C(F)C#N;CDGZGZRKFMCACB-UHFFFAOYSA-N;144.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325331;MM325331;C=C(CN)OCC1(F)CC1;RXRPJXMUVBTZGE-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325332;MM325332;CCC(=O)NN=C(C)C=O;OOLKCJMZLKWXEB-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325333;MM325333;CNC(=N)OCC1(N)CC1;NWLKTAKFUKRZCJ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325334;MM325334;CCC(=O)NN=C(C)C#N;DYPRWMNSKXGAKV-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325335;MM325335;C=C(CC)CNC1(C)CC1;SDBJGUZFXODWEF-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325336;MM325336;C=CC(C)=NNC(=O)CF;INGYVUZMMITUIU-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325337;MM325337;C=C(CN)CNC1(C)CC1;QFMFIFCCESYHQC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325338;MM325338;C=CC(C)=NNC(=O)NC;OJRCTJUQFBLEMW-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325339;MM325339;C=C(CO)CNC1(C)CC1;VPZQVEYYYZEOBE-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325340;MM325340;C=C(C)C(C)=C(C)C(N)=O;CCOUMGTWDZVHAN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325341;MM325341;C=C(CF)CNC1(C)CC1;QVOLXNAUOYFEKX-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325342;MM325342;C=CC(C)=COC(=C)CC;OZEIDJYAMKWLOY-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325343;MM325343;CCC(=O)CNC1(C)CC1;KIBAXITVZJBFEK-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325344;MM325344;C=C(CC)OC=C(C)C=O;AESRGVVVTRLBFP-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325345;MM325345;C=C(CC)COC1(C)CC1;FZDDWPHHESUGEP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325346;MM325346;C=C(CC)OC=C(C)C#N;SEMDWLWKBMSHET-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325347;MM325347;C=C(CN)COC1(C)CC1;YRYSZLHRSFZEQA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325348;MM325348;C=CC(C)=COC(=C)CO;BTUUISYUAHOBPK-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325349;MM325349;C=C(CO)COC1(C)CC1;QJRAJBIIAIVOQY-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325350;MM325350;C=C(CO)OC=C(C)C=O;AJXKWPHPYWKBEQ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325351;MM325351;CCC(=O)COC1(C)CC1;BQYRVFZMPOJNHX-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325352;MM325352;C=C(CO)OC=C(C)C#N;ZRLFFFJABXUREU-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325353;MM325353;CC1(OCC(=O)CO)CC1;HNIOFRVWKSEVQP-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325354;MM325354;C=C(CF)OC=C(C)C#N;QFSQLESMHYPJQX-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325355;MM325355;C=C(CN)CCC1(C)CN1;IQRSFKPFCVBRGM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325356;MM325356;C=C(CO)OC=C(F)C#N;OXBNSDYXCQRGAU-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325357;MM325357;CNC(=N)CCC1(C)CN1;PCJURFSPUQKRBE-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325358;MM325358;C=C(CF)OC=C(F)C=O;AMGOUHMKJBIRGG-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325359;MM325359;CC1(CNC(=N)CO)CN1;GTOKYCYGQGSIRY-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325360;MM325360;CCC(=O)OC=C(C)C=O;GWINUDRBSJMMKA-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325361;MM325361;C=C(CC)CCC1(C)CO1;WUWMMEKSPWXSDY-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325362;MM325362;C=CC(C)=COC(=O)CO;MFGGNURMMFJUTE-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325363;MM325363;C=C(CN)CCC1(C)CO1;JZMDNEOVBZKWKF-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325364;MM325364;CCC(=O)OC=C(F)C=O;WMCAGVJTRGYDNH-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325365;MM325365;C=C(CO)CCC1(C)CO1;CZOGWIWCLCRUMM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325366;MM325366;C=CC(F)=COC(=O)CO;KLDMSFWFGPNGRS-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325367;MM325367;CCC(=O)CCC1(C)CO1;UZHYIFCBGJZFDL-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325368;MM325368;O=CC(F)=COC(=O)CO;ZWVHIRRSYFYKPW-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325369;MM325369;CC1(CCC(=O)CO)CO1;LRGXWOVMDYHWQP-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325370;MM325370;COC(=O)OC=C(C)C#N;NMCQDCAYCARFFD-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325371;MM325371;CC1(CCC(=O)CF)CO1;RFEAGHHERXVQEN-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325372;MM325372;COC(=O)OC=C(F)C=O;JRMVPTDKBIVEKH-UHFFFAOYSA-N;148.09;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325373;MM325373;CNC(=N)CCC1(C)CO1;XXUWRPXJPAXLBF-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325374;MM325374;C=C(CCC1(C)CO1)OC;BTZZNTYFZMQLSR-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325375;MM325375;CC(C=O)=NOC(=O)CO;FZKZDYREGLPFBS-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325376;MM325376;CNC(=O)ON=C(C)C=O;OQKWCNJALXALPJ-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325377;MM325377;CC1(CNC(=N)CO)CO1;MUTCRBXQUKWTSE-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325378;MM325378;CNC(=O)ON=C(C)C#N;JUOQXEDNTOSUNR-UHFFFAOYSA-N;141.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325379;MM325379;CCC(=O)NCC1(C)CO1;NAPLHRAPJZLFMU-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325380;MM325380;C=CC(C)=NOC(=O)NN;RIGWTZQLICSPDR-UHFFFAOYSA-N;143.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325381;MM325381;C=CC(=C)CCC1(C)CC1;XXJUXHCPMDYTRV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325382;MM325382;C=CC(C)=NOC(=O)OC;AAVSAIMIMWGZCE-UHFFFAOYSA-N;143.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325383;MM325383;C=C(C=O)CCC1(C)CC1;FOXXLGDJDBIKDF-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325384;MM325384;C#CC(C)=CCC(=C)CC;GAALJEAQXBPZGT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325385;MM325385;C=C(C#N)CCC1(C)CC1;ULDYCBSYCJBTNV-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325386;MM325386;C#CC(C)=CCC(=C)CN;HMUPHGQOSPAXCI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325387;MM325387;C=CC(=O)CCC1(C)CC1;QWBIXLKYSWPYSV-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325388;MM325388;C#CC(C)=CCC(=C)CO;BPAKOFHGDXDZSK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325389;MM325389;CC1(CCC(=O)C=O)CC1;REZQKBPZPKXGIR-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325390;MM325390;C#CC(F)=CCC(=C)CF;XVKWTQILELWIEI-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325391;MM325391;CC1(CCC(=O)C#N)CC1;SBWZTHKFYQEIPH-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325392;MM325392;C#CC(C)=CCC(=O)CC;JTSKVNAURJKGGG-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325393;MM325393;C=CC(=C)CCC1(N)CC1;XSNDELYQFHXTLD-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325394;MM325394;C#CC(C)=CCC(=O)CF;ZINOZEVRMGQVFF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325395;MM325395;C=C(CCCO)C(=O)CC;YXLBGHSRUORQBH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325396;MM325396;C#CC(F)=CCC(=O)CF;MWNOWWVKNGGDRB-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325397;MM325397;C=CC(=C)C(=C)CCCO;RJRRHXBHDBBOBC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325398;MM325398;C#CC(C)=CCC(=N)NN;KUQHGPXPZRJHBX-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325399;MM325399;C=C(C=O)C(=C)CCCO;XKPZVYSWWNXTBW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325400;MM325400;C#CC(C)=CCC(=O)NC;FJKXXGWSIXQNCA-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325401;MM325401;O=CC(=O)CCC1(O)CC1;BYZNQLRQRZEASV-UHFFFAOYSA-N;142.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325402;MM325402;C#CC(F)=CCC(=O)NC;JMSVWDGQTFGDNX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325403;MM325403;C#CC(F)=CCC(=O)NO;BYSQBZKXMJDJMK-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325404;MM325404;C=CC(=C)CCC1(F)CC1;UXSPBDLJPQKITD-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325405;MM325405;C#CC(F)=CCC(=O)OC;HLNHKECIPZMZPI-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325406;MM325406;C=C(C#N)CCC1(F)CC1;KFANQUHLEZLKHM-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325407;MM325407;C=CC(=O)CCC1(F)CC1;FOIDHGGOIXDUFD-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325408;MM325408;C#CC(C)=CNC(=N)CC;MJWCCYRGFPNINU-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325409;MM325409;O=CC(=O)CCC1(F)CC1;NEZVENCHSYWBQP-UHFFFAOYSA-N;144.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325410;MM325410;C#CC(C)=CNC(=N)CN;FZZHWCPKZJMBJB-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325411;MM325411;C=CC(=N)NCC1(C)CC1;COKPYBIMGIVOGT-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325412;MM325412;C#CC(C)=CNC(=N)CO;QDAIEWDQLLNYJQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325413;MM325413;CC1(CN=C(N)C=O)CC1;VTZDZXZBJDBVLQ-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325414;MM325414;C#CC(F)=CNC(=N)CO;XQRBFCFRCQLTBU-UHFFFAOYSA-N;142.13;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325415;MM325415;CC1(CNC(=O)C#N)CC1;MMQNZOCFMDKLSJ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325416;MM325416;C#CC(F)=CNC(=N)CF;ZLTQUJSAYIBGQT-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325417;MM325417;C=C(C#N)C(=C)CCCO;XAHUWVHRHWCRQW-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325418;MM325418;C#CC(F)=CNC(=O)CO;SGTAHZYVQIMNRQ-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325419;MM325419;C=CC(=O)C(=C)CCCO;FOXUAVRACQDFHL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325420;MM325420;C#CC(F)=CNC(=O)CF;UYODKYCDRHFBCW-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325421;MM325421;N#CC(=O)NCC1(F)CC1;NVZJIUWGOWELIE-UHFFFAOYSA-N;142.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325422;MM325422;CC1CC1(C)CCC(N)=O;NZFBUPQAWAYIGD-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325423;MM325423;C=CC(=C)OCC1(C)CC1;CFSVZVCITYAAAU-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325424;MM325424;C#CC(C)=CNC(=O)NO;LGUYXQYPYQWZCW-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325425;MM325425;C=C(C#N)OCC1(C)CC1;RKBLZGKDYWTZLD-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325426;MM325426;C#CC(F)=CNC(=O)NN;UCBPQALCSHOYKS-UHFFFAOYSA-N;143.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325427;MM325427;C=CC(=C)OCC1(N)CC1;PVCCIIYVZQUUMS-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325428;MM325428;C#CC(F)=CNC(=O)NO;CQQJEFLKRNXXII-UHFFFAOYSA-N;144.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325429;MM325429;C=CC(=C)OCC1(O)CC1;QLKKNVHNKXLLJF-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325430;MM325430;C#CC(F)=CNC(=O)OC;ZHUAUVNCOSCKEQ-UHFFFAOYSA-N;143.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325431;MM325431;C=C(C#N)OCC1(O)CC1;WTFRAHWFAKHGCM-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325432;MM325432;CCCC(=CC(N)=O)NC;FYIIMVFNWKCLFT-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325433;MM325433;C=CC(=C)OCC1(F)CC1;VWURRDHFUNBYDJ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325434;MM325434;C#CC(C)=NNC(=O)CC;UJYCSIZVLIGOTK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325435;MM325435;C=C(C#N)OCC1(F)CC1;CTAVISWKNDDBJN-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325436;MM325436;C#CC(C)=NNC(=O)CO;PTKFGOMZBYSBQZ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325437;MM325437;C=CC(=C)CNC1(C)CC1;SUEJRKRHCCAQLL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325438;MM325438;C=CC(=N)NNC1(C)CC1;BRBAWCOBHADZEE-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325439;MM325439;C#CC(C)=NNC(=O)CF;PRJRRWVCNDWZIQ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325440;MM325440;C#CC(=O)C(=C)CCCO;MVYSRSISTLXBAE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325441;MM325441;C#CC(C)=NNC(=N)NN;WZNZKISGSUVLCZ-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325442;MM325442;C=CC(=O)COC1(C)CC1;GMXIACRLYAIMQX-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325443;MM325443;C#CC(C)=NNC(=O)NC;LENOJSCOTRBZMT-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325444;MM325444;C=CC(=N)NCC1(C)CN1;ATYGYCLJBZLXSR-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325445;MM325445;C#CC(C)=NNC(=O)NN;NGCBPFNNKFPEGA-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325446;MM325446;C#CC(C)=NNC(=O)NO;GDDTZEOIYXMLHA-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325447;MM325447;C=CC(=C)CCC1(C)CO1;GALZXKLMAYNBQV-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325448;MM325448;C=C(C#N)CCC1(C)CO1;ZMIRPZRCVJFNTH-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325449;MM325449;C#CC(C)=NNC(=O)OC;GFAUQQGTSITGFS-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325450;MM325450;C=CC(=O)CCC1(C)CO1;NTHILYYDDJSIEZ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325451;MM325451;C#CC(C)=COC(=C)CC;VIDJGLSSAIWBNP-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325452;MM325452;C=CC(=N)NCC1(C)CO1;YURYYAZKIYGSML-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325453;MM325453;C#CC(C)=COC(=C)CN;XFKSDIMTPCFPPD-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325454;MM325454;CC1(CNC(=O)C#N)CO1;WQUWRUKVWMCUMT-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325455;MM325455;C#CC(F)=COC(=C)CN;FSVZWZSFEQBNHR-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325456;MM325456;C=CC(=C)OCC1(C)CO1;MYVSNHGYLLTVQM-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325457;MM325457;C#CC(F)=COC(=O)CO;VRMSDFVIEGGOPP-UHFFFAOYSA-N;144.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325458;MM325458;C=C(C#N)OCC1(C)CO1;BNNMYMUJEOSISZ-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325459;MM325459;C#CC(C)=COC(=O)OC;ACBWJCXOPMCZDJ-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325460;MM325460;C#CC(=C)CCC1(C)CC1;OQUZVPJOPSHFKX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325461;MM325461;C#CC(F)=COC(=O)OC;WOEHSSQMPHSODW-UHFFFAOYSA-N;144.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325462;MM325462;C#CC(=O)CCC1(C)CC1;JNHDJLZPGROAHC-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325463;MM325463;C#CC(C)=NOC(=O)CC;QDEPWQDXBGZQHU-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325464;MM325464;C#CC(=C)CCC1(N)CC1;WZIKCTKTQIKCLM-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325465;MM325465;C#CC(C)=NOC(=O)CF;UWSLLRUTXFQEHQ-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325466;MM325466;C=C(CCCO)C(C)=CF;JVWJBFYETIYRSE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325467;MM325467;CCNC(=CC(N)=O)CC;OYKAWVSZPZJQDH-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325468;MM325468;C#CC(=O)CCC1(O)CC1;JHAFNUJIEZAJCU-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325469;MM325469;C#CC(=C)CCC1(F)CC1;LYBVJGVMYUFJRY-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325470;MM325470;C#CC(C)=NOC(=O)OC;YGVHXHLLAIIIRH-UHFFFAOYSA-N;141.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325471;MM325471;C#CC(=O)CCC1(F)CC1;URQQZKXSXDPUEV-UHFFFAOYSA-N;140.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325472;MM325472;C=CC(=C)CC=C(C)CC;YXOOHZDWAQLMDS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325473;MM325473;C#CC(=O)NCC1(C)CC1;UVIDOSBHJZPDQQ-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325474;MM325474;C=CC(=C)CC=C(C)CN;HCQNOKAEBHTQPY-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325475;MM325475;C#CC(=O)NCC1(N)CC1;YLMQHYQHBCKLEU-UHFFFAOYSA-N;138.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325476;MM325476;C=CC(=C)CC=C(C)CO;XFFGYCGEOZEGJW-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325477;MM325477;C#CC(=O)NCC1(O)CC1;FJAUCHNJWYSHOS-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325478;MM325478;C=CC(=C)CC=C(C)CF;MPUCZIBUDXXFMB-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325479;MM325479;C#CC(=N)NCC1(F)CC1;NOGQRJMYOPVUKS-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325480;MM325480;C=C(C=O)CC=C(C)CC;YKYIWVWYKWBOTR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325481;MM325481;C#CC(=O)NCC1(F)CC1;YORLUPJMAAJMIE-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325482;MM325482;C=C(C#N)CC=C(C)CC;RKTISTQNSJFTLD-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325483;MM325483;C#CC(=C)OCC1(C)CC1;NLAVADHCYXXTRJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325484;MM325484;C=C(C=O)CC=C(C)CO;DVUUMLKFPVQRHN-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325485;MM325485;C#CC(=O)OCC1(C)CC1;CCLNZFRTNSWSLA-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325486;MM325486;C=C(C#N)CC=C(C)CO;GJFMKMCNNLIEOH-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325487;MM325487;C#CC(=C)OCC1(N)CC1;LGQKTWLPNBTECO-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325488;MM325488;C=C(C=O)CC=C(C)CF;DJSXPQMGZTWUIY-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325489;MM325489;C#CC(=O)OCC1(O)CC1;AKTOFGVOWAFTMY-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325490;MM325490;C=C(C#N)CC=C(C)CF;GTGJHNBWEAVAJT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325491;MM325491;C#CC(=C)OCC1(F)CC1;POKTUIKXOOJAMS-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325492;MM325492;C=CC(=C)CC=C(F)CF;HQSSZCFHLUXVJP-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325493;MM325493;C#CC(=C)CNC1(C)CC1;VEFAABBXOXSBIL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325494;MM325494;C=C(C#N)CC=C(F)CO;JXJAWPOKWSCSMI-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325495;MM325495;C#CC(=N)NNC1(C)CC1;XPAPXSGQRYOVJM-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325496;MM325496;C=C(C=O)CC=C(F)CF;VPEKBHUNLPXRGV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325497;MM325497;C#CC(=N)NCC1(C)CN1;FIVGKORSPGJTPR-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325498;MM325498;C=CC(=O)CC=C(C)CC;ZYBKWFSCGFIUJA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325499;MM325499;C#CC(=C)CCC1(C)CO1;VOCMFRVTWVOUCF-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325500;MM325500;CCC(C)=CCC(=O)C=O;UDTNPCQCHWJXST-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325501;MM325501;C#CC(=O)CCC1(C)CO1;FVBPSVYSJDXPMU-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325502;MM325502;CCC(C)=CCC(=O)C#N;RSQSFWRRWUHZRJ-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325503;MM325503;CC=C(C)CCC1(C)CC1;IERDALOKGLGPFP-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325504;MM325504;CC=C(C)CCC1(N)CC1;GJTKPOZAAGGYNZ-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325505;MM325505;CC(=CCC(=O)C#N)CF;OTRZMXBCQOCCOB-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325506;MM325506;NC1(CCC(F)=CF)CC1;WXUAPOYZAXVPBW-UHFFFAOYSA-N;147.17;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325507;MM325507;C=CC(=O)CC=C(F)CC;OKDPEPYBYJDRNV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325508;MM325508;C=C(CCCO)C(F)=CF;VXZGSFOYBVZVPN-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325509;MM325509;C=CC(=O)CC=C(F)CF;WMXBBVAJFIWINT-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325510;MM325510;CC=C(C)CCC1(F)CC1;GSBHRFLUKAPRJL-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325511;MM325511;CCC(F)=CCC(=O)C=O;XQLFUMRJSALHIG-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325512;MM325512;CC(CCC1(C)CC1)=NN;YLESGYDPUBNKBC-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325513;MM325513;CCC(F)=CCC(=O)C#N;NZQPXJGVDRYVEJ-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325514;MM325514;CC(CCC1(C)CC1)=NO;VQFPOQRKIHYSKT-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325515;MM325515;O=CC(=O)CC=C(F)CO;RYDLIDOBBNHNSV-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325516;MM325516;CC(CCC1(N)CC1)=NO;IZUXXYHEEQBWBI-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325517;MM325517;N#CC(=O)CC=C(F)CO;JGJGONHFMSAGOG-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325518;MM325518;CN=C(C)NCC1(N)CC1;WRGZCOMNZNYMIB-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325519;MM325519;O=CC(=O)CC=C(F)CF;OJAIYYKUIMQKCL-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325520;MM325520;N=C(C=O)N=CNCC=O;IZJPRPHWQFYHRD-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325521;MM325521;C=C(C=O)CC=C(C)OC;PJHXSOGRLLQLTC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325522;MM325522;CC=C(C)OCC1(N)CC1;NALPIJDMEVIKAW-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325523;MM325523;C=C(C#N)CC=C(C)OC;LRABEJGCMLSYTE-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325524;MM325524;CC=C(C)OCC1(O)CC1;CAXYDDYEYNYURB-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325525;MM325525;C=CC(=O)CC=C(C)OC;ZMYLMZQPEWSOKG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325526;MM325526;CC=C(C)CNC1(C)CC1;QZNGEMSAPQFVDT-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325527;MM325527;COC(C)=CCC(=O)C=O;KQPZSUWGECWGAY-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325528;MM325528;COC(C)=CCC(=O)C#N;SWDKQGQSFLEDPG-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325529;MM325529;CC(CNC1(C)CC1)=NO;HGRICHJKSVOWER-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325530;MM325530;C=CC(=N)NC=C(C)CN;ICAVUQYKYCPHFE-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325531;MM325531;CC=C(C)CCC1(C)CO1;NAMGRKVNTGWQCB-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325532;MM325532;C=CC(=N)NC=C(C)CF;XTWZNEMJOIYFBH-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325533;MM325533;CC(CCC1(C)CO1)=NN;NAZSYQDYOGPWHR-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325534;MM325534;CCC(C)=CN=C(N)C=O;JVBIVVADQOBHIV-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325535;MM325535;CN=C(C)NCC1(C)CO1;AUQISTJURRSOPU-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325536;MM325536;CCC(C)=CNC(=N)C#N;GSTQOCUIOMUMQV-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325537;MM325537;CC=C(C)OCC1(C)CO1;CBRKEIZXTWYTAD-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325538;MM325538;C=CC(=N)NC=C(F)CN;JNZPJAHZTAIWIK-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325539;MM325539;CC(C=CCCCO)CF;JAQXEIWJUCVGGV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325540;MM325540;C=CC(=N)NC=C(F)CO;TUNIZJFCPWJMCE-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325541;MM325541;CCC(C)CC(CC)CC;VXARVYMIZCGZGG-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325542;MM325542;CCC(F)=CN=C(N)C=O;VYMVVPVVPMBPFL-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325543;MM325543;CCC(CC)CC(C)CN;XXYBKHKWJIGOJK-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325544;MM325544;CNC(=CC(N)=O)C(C)C;CBJQBBSNNYWFNU-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325545;MM325545;CCC(O)C=CCCCO;ZUISJAAVRCRBFH-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325546;MM325546;CC=CC=CC=CC(N)=O;IJZLXXNUGJQFBK-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325547;MM325547;CCC(CC)CC(C)CF;ODLFOUACLQEEMR-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325548;MM325548;C=C(CC#CC#N)CCO;SDIZCYGXFYSLJW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325549;MM325549;CCC(C)CC(CC)CN;MZGPELNRCFTGJW-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325550;MM325550;C=CC(=O)NC=C(C)CN;XZXFLGULDFNUPN-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325551;MM325551;CCC(CN)CC(C)CN;MYDPUAVKOZYHEO-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325552;MM325552;C=CC(=O)NC=C(C)CF;OVKARGBLAUQNDL-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325553;MM325553;CCC(CN)CC(C)CO;OQHNAUATAMCAAX-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325554;MM325554;CCC(C)=CNC(=O)C#N;KAZNCVCXTWZJQL-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325555;MM325555;CCC(CN)CC(C)CF;AYJJVCMCFCKNFH-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325556;MM325556;CC(=CNC(=O)C=O)CO;RHQANAVIGSCCHP-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325557;MM325557;CC(=CNC(=O)C#N)CO;IJXNKNWSLLYPNO-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325558;MM325558;CC(C=O)C=CCCCO;KOISZNWFTPLLFE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325559;MM325559;CC(=CNC(=O)C=O)CF;ZISRXVNHQMWRJJ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325560;MM325560;CCC(CO)CC(C)CN;ZWZHPZMMBJHSJQ-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325561;MM325561;CC(=CNC(=O)C#N)CF;MDMAVLJKSZFSKQ-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325562;MM325562;CC(C#N)C=CCCCO;ZYPLYISIQGNJJF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325563;MM325563;CCC(F)=CNC(=O)C=O;ILQIPJFUKYQASB-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325564;MM325564;N#CC(F)C=CCCCO;NVABCGQARLHVFF-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325565;MM325565;C=CC(=N)NC=C(C)OC;QOCJABSNMSDJAT-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325566;MM325566;CCC(C)CC(CC)CF;OIDXNHFYQPIHEQ-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325567;MM325567;COC(C)=CNC(=O)C=O;UQOUYBTXAPNUIN-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325568;MM325568;CCC(CF)CC(C)CN;XFUGPTDPVUKHID-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325569;MM325569;COCC#CC(C)CCO;IRLRBJLFLGVIRF-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325570;MM325570;C#CC(C)C=CCCCO;PUYOHWMSRPAIKD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325571;MM325571;C#CC=NNC(N)=CC#N;MSFYLHBODXMFLY-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325572;MM325572;CCC(C)CC(CN)CN;SVBFVYQOMRNHMI-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325573;MM325573;C=CC(CC)=C(C)C(N)=O;YKNYXIXRTKXPNO-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325574;MM325574;CCC(C)CC(CN)CO;OTGNSHWQIIZYLO-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325575;MM325575;CC=CC(C)=C(C)C(N)=O;JEZWZMMHMGBMNV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325576;MM325576;CCC(C)CC(CN)CF;CBLXKCKSTREYQL-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325577;MM325577;CC(CF)CC(CN)CF;WBGQYWJZRXUZDK-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325578;MM325578;C=CC(=O)NN=C(C)CC;JSECVNKIVOIDRB-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325579;MM325579;CCC(C)CC(CO)CO;DOQOORRFKPURFW-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325580;MM325580;C=CC(=O)NN=C(C)CN;PCCJPKAGPAEEDC-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325581;MM325581;CC(CO)CC(CO)CO;ZUGXXLSMQUOZQZ-UHFFFAOYSA-N;148.2;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325582;MM325582;CCC(C)=NNC(=O)C=O;RZEOAQZJKAHHEB-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325583;MM325583;CC(CF)CC(CO)CO;YOMMXVYSHLYKDS-UHFFFAOYSA-N;150.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325584;MM325584;CC(CO)=NNC(=O)C#N;PLJPUQAKMOTBBG-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325585;MM325585;C=CC(=O)NN=C(C)OC;NBFDJZIOJVXMPA-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325586;MM325586;CC(CF)CC(CO)CF;SVQOTFJRRBCDQG-UHFFFAOYSA-N;152.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325587;MM325587;CC(CN)CC(CF)CF;GOCJZVUCXWMFQN-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325588;MM325588;C=CC(=C)OC=C(C)CC;BWHRNUAGUTXPEJ-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325589;MM325589;C=CC(=C)OC=C(C)CN;CSBMCBUEXYEFQJ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325590;MM325590;C=C(C=CCCCO)CC;FVUZFXWRKGBBAO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325591;MM325591;CC(CF)CC(CF)CF;CALFJQOYRQLYAA-UHFFFAOYSA-N;154.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325592;MM325592;C=CC(=C)OC=C(C)CO;ZAEVAYLLZZPFQW-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325593;MM325593;CCC(N)CC(CC)CC;MSVGYHCUHWIROB-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325594;MM325594;C=C(C#N)OC=C(C)CC;KMGKPGBIWQIEER-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325595;MM325595;CCC(CC)CC(N)CN;HHLWPQIMGPATQQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325596;MM325596;C=C(C#N)OC=C(C)CO;GJDUWHQNUMGOEG-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325597;MM325597;CCC(CC)CC(N)CO;YUJNXZBEFDYXIW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325598;MM325598;C=C(C#N)OC=C(F)CO;ZYLWBGGQMVIQJF-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325599;MM325599;CCC(CC)CC(N)CF;ZFMCRIUZUXYAMH-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325600;MM325600;C=CC(=O)OC=C(C)CC;YCRUEEQIQSEEJV-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325601;MM325601;C=CC(=O)OC=C(C)CO;QCDKCUIUVNYIBD-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325602;MM325602;CCC(N)CC(CC)CN;IXWXPMUQORHHBN-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325603;MM325603;C=CC(=O)OC=C(C)CF;IREUAGKBUIHUAZ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325604;MM325604;CCC(CN)CC(N)CN;XSQSMJKFQLFARD-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325605;MM325605;O=CC(=O)OC=C(F)CO;VBVVOLCVNNYXIW-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325606;MM325606;CCC(CN)CC(N)CO;XWHJCDQLSMGGLM-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325607;MM325607;O=CC(=O)OC=C(F)CF;OJPJNOGOCGRFIL-UHFFFAOYSA-N;150.08;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325608;MM325608;CCC(N)CC(CC)CO;GZVCWTMUFSIMGF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325609;MM325609;C=C(C=O)OC=C(C)OC;DMVMPHQZKXGKRL-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325610;MM325610;CCC(CO)CC(N)CN;TYCSZYUOILJGME-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325611;MM325611;CCC(CO)CC(N)CO;GBRUBXYCCOCZAX-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325612;MM325612;C=C(C#N)OC=C(C)OC;RNGSFIPFQDVWFE-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325613;MM325613;CCC(CF)CC(N)CF;STBRSYUXYUYDII-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325614;MM325614;COC(C)=COC(=O)C#N;VKQOBRBYNWGBGE-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325615;MM325615;NCC(CN)CC(N)CO;URNBONBXFYQQDN-UHFFFAOYSA-N;147.22;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325616;MM325616;C=CC(=O)ON=C(C)CN;WBJKVLSECAANQZ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325617;MM325617;NCC(CN)CC(N)CF;YARMIZGQGXLFSI-UHFFFAOYSA-N;149.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325618;MM325618;CCC(C)=NOC(=O)C=O;QSYKBIDUNIZHMI-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325619;MM325619;CCC(N)CC(CN)CO;OODNLAFPMQQEOL-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325620;MM325620;CCC(C)=NOC(=O)C#N;BWFGEVHRVLHKSH-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325621;MM325621;NCC(CO)CC(N)CO;ZKQOWSGPQUXINV-UHFFFAOYSA-N;148.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325622;MM325622;C=CC(=O)ON=C(C)OC;JRBJOYZNHVDWKR-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325623;MM325623;NCC(CO)CC(N)CF;DKXCDIWSQVQUHD-UHFFFAOYSA-N;150.2;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325624;MM325624;C=CC(=C)CC=C(C)C=C;ISCQDJFDBXWEON-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325625;MM325625;CCC(N)CC(CN)CF;XCDOLHDUNAGMIA-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325626;MM325626;C=CC(=C)CC=C(C)C=O;LGNLDWLWGBTSIK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325627;MM325627;NCC(CF)CC(N)CO;SPYOQKCXSKWZSM-UHFFFAOYSA-N;150.2;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325628;MM325628;C=CC(=C)CC=C(C)C#N;VSVASINXBMAGDW-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325629;MM325629;NCC(CF)CC(N)CF;ZDHZAHXZZGYFFC-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325630;MM325630;C=CC(C)=CCC(=C)C=O;DIRDNDIZCWTORM-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325631;MM325631;CCC(N)CC(CO)CO;DHYJAKXZOSHGMK-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325632;MM325632;C=CC(C)=CCC(=C)C#N;GPCTYGMQFXJAAI-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325633;MM325633;NCC(N)CC(CO)CO;GUUKXKVJLNMCSU-UHFFFAOYSA-N;148.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325634;MM325634;C=C(C=O)CC=C(C)C=O;FRNVEFJWZAQBKL-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325635;MM325635;NC(CO)CC(CO)CO;BDTLQVXNNITHPL-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325636;MM325636;C=C(C=O)CC=C(C)C#N;CSEFSTMSEPQCBG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325637;MM325637;NC(CF)CC(CO)CF;HRZQQPQQZIQSDY-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325638;MM325638;C=C(C#N)CC=C(C)C=O;RYVAQCVOMUTGJD-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325639;MM325639;CCC(N)CC(CF)CF;UTZHMUBJXBOZRB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325640;MM325640;C=C(C#N)CC=C(C)C#N;ODUHZPYADUMSRZ-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325641;MM325641;NCC(N)CC(CF)CF;ADJVHTOZFNLHKZ-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325642;MM325642;C=CC(=C)CC=C(F)C=C;JDKCDXTYQHPUPU-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325643;MM325643;NC(CO)CC(CF)CF;HECCVTUVXMMXHL-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325644;MM325644;C=CC(=C)CC=C(F)C=O;UZTPIXRWLWEADR-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325645;MM325645;NC(CF)CC(CF)CF;ZHEQPDMAXMFLEW-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325646;MM325646;C=CC(F)=CCC(=C)C=O;VPASHFIXFSXWPP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325647;MM325647;C=CC(F)=CCC(=C)C#N;VNZXFTCYXQQEMP-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325648;MM325648;CCC(=O)C=CCCCO;ZIPGDKQMBFYFLC-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325649;MM325649;C=C(C#N)CC=C(F)C#N;PZHWVPSEAFKURD-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325650;MM325650;CCC(CC)CC(O)CN;ASHKYKKOUQSRKV-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325651;MM325651;C=CC(=O)CC=C(C)C=C;UGMPRUWDHAIHMG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325652;MM325652;CCC(CC)CC(O)CO;ZMMXJSJKOWZQSL-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325653;MM325653;C=CC(=O)CC=C(C)C=O;VKWMZUWLZQFMHY-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325654;MM325654;CCC(CC)CC(O)CF;JUQZTUUGVKUYEM-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325655;MM325655;C=CC(=O)CC=C(C)C#N;QHDVXALHNZKTCE-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325656;MM325656;CCC(O)CC(CC)CN;NPEUTFUKDQRMPG-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325657;MM325657;C=CC(C)=CCC(=O)C#N;VIFTXESGXQTPAW-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325658;MM325658;CCC(CN)CC(O)CN;QXVJMMYNWFQCHN-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325659;MM325659;CC(C#N)=CCC(=O)C=O;DWFQJTOFRLAZGP-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325660;MM325660;CCC(CN)CC(O)CO;IYYMNCQCUWZCSH-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325661;MM325661;CC(C#N)=CCC(=O)C#N;AYRZEPFFGLFRQB-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325662;MM325662;CCC(O)CC(CC)CO;NKUSBXAXENGEJW-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325663;MM325663;C=CC(=O)CC=C(F)C=C;AJCFTBPFKMYJJM-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325664;MM325664;CCC(CO)CC(O)CN;JOMIGAYNJBTOGV-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325665;MM325665;C=CC(=O)CC=C(F)C#N;RTEOQERCCWIAJZ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325666;MM325666;CCC(CO)CC(O)CO;ZIKKWHHFBOMDPX-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325667;MM325667;C=CC(F)=CCC(=O)C#N;WGPHPGQCAIAESI-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325668;MM325668;CCC(CF)CC(O)CO;JVTZRYRHFYZBCG-UHFFFAOYSA-N;150.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325669;MM325669;N#CC(F)=CCC(=O)C=O;UMJOAKZZFQYMKG-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325670;MM325670;CCC(CF)CC(O)CF;LWGUKEBHUHYXSW-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325671;MM325671;C=CC(C)=CN=C(N)C=O;INADGQNVRABFOG-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325672;MM325672;CCC(O)CC(CN)CN;ZXXWMOHWUPBXDR-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325673;MM325673;CC(C=O)=CN=C(N)C#N;MZJYSFBNRJBPKU-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325674;MM325674;NCC(O)CC(CN)CN;GZPWYERPHRILCC-UHFFFAOYSA-N;147.22;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325675;MM325675;C=CC(=N)NC=C(F)C=C;YGTBEXIBIMCBND-UHFFFAOYSA-N;140.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325676;MM325676;NCC(CN)CC(O)CF;SZXSJAWMIRIYHK-UHFFFAOYSA-N;150.2;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325677;MM325677;C=CC(=N)NC=C(F)C#N;XMEPDWPKEYIYHE-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325678;MM325678;CCC(O)CC(CN)CO;DBDPPIAVQAWESK-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325679;MM325679;C=CCC(C(N)=O)=C(C)C;WZCPGCBWXFSTSC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325680;MM325680;NCC(CO)CC(O)CO;HIINMFCPEHVIRC-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325681;MM325681;C=CC(=O)NC=C(F)C=C;KFKHAEZYYITGFJ-UHFFFAOYSA-N;141.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325682;MM325682;NCC(CO)CC(O)CF;ZWYLYXXJKDOFIZ-UHFFFAOYSA-N;151.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325683;MM325683;C=CC(=O)NC=C(F)C=O;AARKFZHPRYQZEM-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325684;MM325684;NCC(O)CC(CN)CF;DJQFIDWESVKZOO-UHFFFAOYSA-N;150.2;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325685;MM325685;NCC(CF)CC(O)CF;JAXFWKLAOGIGAN-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325686;MM325686;C#CC(C)(C#C)C(=C)CO;VQDBEZKFXSTXIL-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325687;MM325687;C#CC(C#C)(C#C)CCO;UPRPKICWKICHRA-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325688;MM325688;CCC(O)CC(CO)CO;QKRATMQGTULOQC-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325689;MM325689;C=CC(=O)NN=C(C)C=O;FQRDIKANDQIRNR-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325690;MM325690;NCC(O)CC(CO)CO;QGTFQGJUDDVALL-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325691;MM325691;C=CC(=O)NN=C(C)C#N;WVMZIQWOZKRNCQ-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325692;MM325692;OCC(O)CC(CO)CO;WWGIVJUMKQYRND-UHFFFAOYSA-N;150.17;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325693;MM325693;C=CC(C)=NNC(=O)C=O;MRUNRIDCUUMPGG-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325694;MM325694;CCC(O)CC(CF)CF;SETHKZJVRYRDFY-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325695;MM325695;CCC(F)CC(CC)CC;IAMCMAZQJYFOSE-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325696;MM325696;C=CC(=C)OC=C(C)C=O;NNOXKFDTLMXZRA-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325697;MM325697;CCC(CC)CC(F)CN;RMIBGUKUPHCRQH-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325698;MM325698;C=C(C=O)OC=C(C)C#N;ADQJUXVAAGPOSF-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325699;MM325699;CCC(CC)CC(F)CO;QMCGVTGAODMTJF-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325700;MM325700;C=C(C#N)OC=C(C)C=O;PTNVUTGOADTLNT-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325701;MM325701;CCC(F)CC(CC)CN;KVEUQJNWMRYYPU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325702;MM325702;C=C(C#N)OC=C(C)C#N;OSZTXNZGBZTETK-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325703;MM325703;CCC(CN)CC(F)CO;ACUFSYAFIKQKQI-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325704;MM325704;C=CC(F)=COC(=C)C#N;IKLYLIHHOCIRJP-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325705;MM325705;C=C(C=O)OC=C(F)C=O;IIGOGLLBTZFRIG-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325706;MM325706;CCC(CN)CC(F)CF;BTZULMDQGJUEOY-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325707;MM325707;CCC(F)CC(CC)CO;VDWAIJHAHHKEQE-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325708;MM325708;C=C(C=O)OC=C(F)C#N;CUMZHOVUNKBRMK-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325709;MM325709;C=C(C#N)OC=C(F)C=O;GBGIHBNQZZGKAT-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325710;MM325710;CCC(CO)CC(F)CF;QXJPXIFNDBTYGY-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325711;MM325711;C=C(C#N)OC=C(F)C#N;JARPYILUEYBRCV-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325712;MM325712;CCC(F)CC(CC)CF;XNMQJMGZPHHQEZ-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325713;MM325713;C=CC(=O)OC=C(C)C=C;QWLNJOMRWSEOBX-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325714;MM325714;CCC(CF)CC(F)CN;AHKVZKXWTHEQKR-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325715;MM325715;C=CC(=O)OC=C(C)C=O;FKCVDDYCOYAZSO-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325716;MM325716;NCC(F)CC(CN)CN;VMAKOGYIRJXCOQ-UHFFFAOYSA-N;149.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325717;MM325717;C=CC(=O)OC=C(F)C#N;DBDLUAYXOJVXSH-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325718;MM325718;NCC(CN)CC(F)CO;DGZNOVPFJPZBQJ-UHFFFAOYSA-N;150.2;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325719;MM325719;C=CC(F)=COC(=O)C=O;LNYVDVBORAHJMY-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325720;MM325720;NCC(CN)CC(F)CF;AERIPABFKDTJSR-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325721;MM325721;C=CC(F)=COC(=O)C#N;NRMLUFQLWYCMSG-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325722;MM325722;NCC(CO)CC(F)CO;OTDADXCYYLJNSC-UHFFFAOYSA-N;151.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325723;MM325723;N#CC(F)=COC(=O)C=O;ADIHEGZTJUPKPJ-UHFFFAOYSA-N;143.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325724;MM325724;CCC(F)CC(CN)CF;IHOFLXKIZJSLJL-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325725;MM325725;N#CC(=O)OC=C(F)C#N;QXFDEFCCDQHMHH-UHFFFAOYSA-N;140.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325726;MM325726;NCC(F)CC(CN)CF;GSCKQWDFLOLUEG-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325727;MM325727;C=CC(=O)ON=C(C)C#N;PVGADODTMYXDPI-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325728;MM325728;NCC(F)CC(CO)CO;LQJRSLZMJDWGRG-UHFFFAOYSA-N;151.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325729;MM325729;C=CC(C)=NOC(=O)C=O;YNMLACRZWZLZOZ-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325730;MM325730;OCC(F)CC(CO)CO;CKROGYCJGRVTIC-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325731;MM325731;C#CC(C)=CCC(=C)C=C;FPXJKUHVZUNXMI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325732;MM325732;C#CC(C)=CCC(=C)C#N;MCAFZQOZFZAXSZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325733;MM325733;CCC(F)CC(CF)CF;HCTRQXRDUYLJDC-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325734;MM325734;NCC(F)CC(CF)CF;TUKZSWXXLQUPHX-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325735;MM325735;C#CC(F)=CCC(=C)C#N;DTMPDPBDDLYNMQ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325736;MM325736;FCC(F)CC(CF)CF;AYFAEUPWPSFJJU-UHFFFAOYSA-N;158.14;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325737;MM325737;C#CC(C)=CCC(=O)C=C;JNGBXIFKDRXUSM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325738;MM325738;CCC(CC)CC(C)NC;MELDALYNNBPBAQ-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325739;MM325739;C#CC(C)=CCC(=O)C=O;LGJWFWHFMVVGAE-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325740;MM325740;CCC(CN)CC(C)NC;ANELRHQHQDITMV-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325741;MM325741;C#CC(C)=CCC(=O)C#N;QZDMQXIUTAHMFF-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325742;MM325742;CCC(CO)CC(C)NC;UHVQCGBWSQDQKA-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325743;MM325743;C#CC(F)=CCC(=O)C=C;GKHRYFLCMMEAFQ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325744;MM325744;CCC(CF)CC(C)NC;RVULKHAIVKDJQY-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325745;MM325745;C#CC(F)=CCC(=O)C=O;HTJATLBZPJFIKX-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325746;MM325746;CNC(C)CC(CO)CO;MEPQQMWEANRLDW-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325747;MM325747;C#CC(F)=CCC(=O)C#N;AJNHUFXDJLQZIW-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325748;MM325748;CNC(C)CC(CF)CF;LBLBDJBGFDTBJS-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325749;MM325749;C#CC(C)=CNC(=N)C=C;SNOQNNRDAVBVGL-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325750;MM325750;CCC(CC)CC(C)OC;XSRRZQNINKJWIF-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325751;MM325751;C#CC(C)=CNC(=N)C#N;YYJJCOAXQAXHTR-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325752;MM325752;CCC(CN)CC(C)OC;ZEIZAMXLUZISHE-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325753;MM325753;C#CC(F)=CNC(=N)C=C;GAJDZYCYAOCCHK-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325754;MM325754;CCC(CF)CC(C)OC;YSDXVWFOXFCPRR-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325755;MM325755;C#CC(C)=CNC(=O)C=O;JIBOVLQNZWFUTH-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325756;MM325756;COC(C)CC(CN)CO;YYWRJJBVUUIIHB-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325757;MM325757;C#CC(C)CC(=CC)CO;WEDGBUXFZMIEFM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325758;MM325758;COC(C)CC(CO)CO;FFERQOTVLFAWEE-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325759;MM325759;C#CC(C)=NNC(=O)C#N;WJLGDNBLAOGCBH-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325760;MM325760;CCC(C)CC(CC)NC;QBOMTPJAVNILCJ-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325761;MM325761;C#CC(C)=COC(=C)C=C;CBXQGLMQBAIGAX-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325762;MM325762;CCC(CC(C)CN)NC;XSXNFGXVWAIBJU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325763;MM325763;C#CC(C)=COC(=C)C#N;DNGOQWBAJHADMI-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325764;MM325764;CCC(CC(C)CO)NC;UXYWZMZSUJJGOB-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325765;MM325765;C#CC(F)=COC(=C)C=O;QISYBAWSKNMDPC-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325766;MM325766;CCC(CC(C)CF)NC;AHLMFLSBPIJDPW-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325767;MM325767;C#CC(F)=COC(=C)C#N;SQUWJIWIQBJBNP-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325768;MM325768;CCC(C)CC(CN)NC;IORHVTOYQZBMBA-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325769;MM325769;C#CC(C)=COC(=O)C=C;FIAWHDKZYPCKOP-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325770;MM325770;CCC(C)CC(CO)NC;TUXOMQCYKRLMOP-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325771;MM325771;C#CC(F)=COC(=O)C=O;UENISRBRTFMUDV-UHFFFAOYSA-N;142.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325772;MM325772;C#CC(F)=COC(=O)C#N;IFHSUTSGOLDBRZ-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325773;MM325773;CNC(CO)CC(C)CO;BHTVCCBPIIJRSP-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325774;MM325774;C#CC(C)=NOC(=O)C=C;AVGYAIIESXGXPJ-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325775;MM325775;CCC(C)CC(CF)NC;LAAVPRURLJQCRD-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325776;MM325776;CNC(CF)CC(C)CF;RPZUBXRGQQLILW-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325777;MM325777;C#CC(=C)CC=C(C)CC;SQVNFXYAQOEBOE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325778;MM325778;C#CC(=C)CC=C(C)CN;XGHJJZVZABSYDK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325779;MM325779;CCC(N)CC(CC)NC;NTAVNIGUOWGLPO-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325780;MM325780;C#CC(=C)CC=C(C)CO;XMUHSHUFZPKFAP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325781;MM325781;CCC(CC(N)CN)NC;UTTUHKWSTWZJGY-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325782;MM325782;C#CC(=C)CC=C(C)CF;IQVIYBVUSFIGGM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325783;MM325783;CNC(CN)CC(N)CO;JIIQLTYYMCLOEO-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325784;MM325784;C#CC(=O)CC=C(C)CC;SSEVGDRZBSVIIC-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325785;MM325785;CNC(CN)CC(N)CF;GVSDCUGIHUCCDM-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325786;MM325786;C#CC(=O)CC=C(C)CF;FZQJIUJZRLFVJC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325787;MM325787;CCC(N)CC(CO)NC;BGGABVGABLJECJ-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325788;MM325788;C#CC(=O)CC=C(F)CC;RAXZCPGSUAOGHT-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325789;MM325789;CNC(CO)CC(N)CN;YJBITLHWXCIJEA-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325790;MM325790;C#CC(=O)CC=C(F)CF;PSSZUMXOEDLIFA-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325791;MM325791;CNC(CO)CC(N)CO;NXPGBTSZTCPSNW-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325792;MM325792;C#CC(=C)CC=C(C)OC;CIOILDBAKMAXFG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325793;MM325793;CNC(CO)CC(N)CF;WNAYGMBUDBAWSJ-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325794;MM325794;C#CC(=N)NC=C(C)CC;BBGMWLISBPBONR-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325795;MM325795;CNC(CF)CC(N)CN;BVXVYMHTNNIBOF-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325796;MM325796;C#CC(=O)NC=C(C)CC;XAZZLYXAQHXKGG-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325797;MM325797;CCC(O)CC(CC)NC;KDFMVSJBNVRMJU-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325798;MM325798;C#CC(=O)NC=C(F)CC;KJAYEJNPHSRUPH-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325799;MM325799;C#CC(=O)NC=C(F)CO;MWNQOOGFALUUNN-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325800;MM325800;CCC(CC(O)CN)NC;NPIFZIGGSYDINP-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325801;MM325801;C#CC(=C)C=C(CC)CO;NOTKULVLCBDPKI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325802;MM325802;CCC(O)CC(CN)NC;ZOLJPWIWQRHDRL-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325803;MM325803;C=C(C)C=CC(=CC)CO;ACORFRPQCKVPII-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325804;MM325804;CNC(CN)CC(O)CN;AEZMJYIGZKXZPO-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325805;MM325805;C#CC(=O)NN=C(C)CO;PMMUXMWNVIPHNE-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325806;MM325806;CNC(CN)CC(O)CO;TVALKZCVMJPGNI-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325807;MM325807;C#CC(=C)OC=C(C)CC;VVSUYTKKNBPEEL-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325808;MM325808;CCC(O)CC(CO)NC;BAZFRSPKWUHPQT-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325809;MM325809;CNC(CO)CC(O)CF;GAUIRQDRMBCKPC-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325810;MM325810;C#CC(=C)OC=C(C)CN;AJKQRGJJPYWKHE-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325811;MM325811;C#CC(=C)OC=C(C)CO;WZRGKAYHMINRJV-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325812;MM325812;CCC(F)CC(CC)NC;FOZRAELCMFYUTJ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325813;MM325813;C#CC(=C)OC=C(F)CO;RPPJWHZIEYCQNR-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325814;MM325814;CCC(F)CC(CN)NC;SXGIYKAZNVZQJI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325815;MM325815;C#CC(=C)OC=C(F)CF;ISHQHDJYPSIFMJ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325816;MM325816;CNC(CO)CC(F)CO;RQGVJBKKPSSDNS-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325817;MM325817;C#CC(=O)OC=C(C)CC;DODKYKKCROFNQZ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325818;MM325818;CCC(F)CC(CF)NC;HXQVPXFKHMQXTJ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325819;MM325819;C#CC(=O)OC=C(C)CF;QQCFCGVHYDLBQF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325820;MM325820;CCC(CC(C)NC)NC;MDCWCHLPHXERSL-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325821;MM325821;C#CC(=C)OC=C(C)OC;JAOYJEWQIWIOKH-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325822;MM325822;CNC(C)CC(CO)NC;SMSRUPNEYPQWAR-UHFFFAOYSA-N;146.23;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325823;MM325823;C#CC(=O)OC=C(C)OC;ZXEINNFZXQWVJN-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325824;MM325824;CNC(CN)CC(C)OC;SKHZTEHBXGZYJL-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325825;MM325825;C#CC(=O)ON=C(C)CC;HREYIJYJSSQLED-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325826;MM325826;CNC(CO)CC(C)OC;AMVSPTJNYMPITR-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325827;MM325827;C#CC(=O)ON=C(C)OC;ORHJVBRNGJSUBB-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325828;MM325828;CCC(C)CC(CC)OC;WJBCFMPGNIOIAL-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325829;MM325829;C#CC(=C)CC=C(C)C=C;NEHOPOGDFSHIFR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325830;MM325830;CCC(CC(C)CN)OC;TVRQJZURKRJVHY-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325831;MM325831;C#CC(=C)CC=C(C)C=O;CCWFSEYGEDEZIN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325832;MM325832;CCC(CC(C)CF)OC;NSDAWGVCWKWRIM-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325833;MM325833;C#CC(=C)CC=C(C)C#N;WHZTXHLDZAAZIJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325834;MM325834;CCC(C)CC(CN)OC;XGBBPGQZCNREJN-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325835;MM325835;C#CC(=C)CC=C(F)C=C;CPCUQMFORVOZIZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325836;MM325836;COC(CN)CC(C)CO;SGIZVGCCBQCBGY-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325837;MM325837;C#CC(=C)CC=C(F)C=O;QEYYMJPKPNWYBJ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325838;MM325838;CCC(C)CC(CO)OC;SLCDGFZUUTZOGS-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325839;MM325839;C#CC(=C)CC=C(F)C#N;JNOHGGDSDLLTBC-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325840;MM325840;COC(CO)CC(C)CN;YRQDPAWWKODIBH-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325841;MM325841;C#CC(=O)CC=C(C)C=C;NBWRCIXWNYKMEE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325842;MM325842;COC(CO)CC(C)CO;HMJMGTGLQQXKAP-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325843;MM325843;C#CC(=O)CC=C(C)C=O;DOMOKQAXRAXXRX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325844;MM325844;CCC(C)CC(CF)OC;AGJYHGWJXXINRH-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325845;MM325845;C#CC(=O)CC=C(F)C=C;WVKFBPKPCUHTSH-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325846;MM325846;CCC(N)CC(CC)OC;KOIZYZIBEPWYKT-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325847;MM325847;C#CC(=O)NC=C(C)C=O;FQQBVPWFQBNMMT-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325848;MM325848;CCC(CC(N)CF)OC;OLBLDRIOUPCVTH-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325849;MM325849;C#CC(=O)NN=C(C)C=C;JAQSRZNAAVOVRK-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325850;MM325850;COC(CN)CC(N)CN;ZQDPHIUHXWAVJW-UHFFFAOYSA-N;147.22;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325851;MM325851;C#CC(=C)OC=C(C)C=C;RFUISSXAWQCWMM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325852;MM325852;COC(CN)CC(N)CO;SBGILFQWIFUCJF-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325853;MM325853;C#CC(=C)OC=C(C)C=O;FEFAXBALLIGIBF-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325854;MM325854;CCC(N)CC(CO)OC;WDNKFKLHXQRPPI-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325855;MM325855;C#CC(=C)OC=C(C)C#N;GTGWZEUFOZJDIU-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325856;MM325856;C#CC(=C)OC=C(F)C=C;CKLZFXDLYXSQIX-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325857;MM325857;COC(CO)CC(N)CN;YYEMBCSFCJMNIH-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325858;MM325858;C#CC(=C)OC=C(F)C=O;OSIQFAKVTHQORS-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325859;MM325859;COC(CO)CC(N)CO;NCLCTCSIKFPUTN-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325860;MM325860;C#CC(=C)OC=C(F)C#N;YRXWFQTWGIYPKZ-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325861;MM325861;CCC(N)CC(CF)OC;OXSUVPNRQYBNEE-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325862;MM325862;C#CC(=O)OC=C(F)C=C;DYUWUWQOQNRKSD-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325863;MM325863;CCC(O)CC(CC)OC;SAQLAHDOZOIZBQ-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325864;MM325864;C#CC(=O)OC=C(F)C=O;CEUGGRPBXIWIAG-UHFFFAOYSA-N;142.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325865;MM325865;CCC(O)CC(CN)OC;ZTRGGIQPJHLHCX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325866;MM325866;C#CC(=O)OC=C(F)C#N;XXQJXRZFQGKENG-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325867;MM325867;COC(CO)CC(O)CN;FXUZMQNPPYJRQI-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325868;MM325868;C#CC(=O)ON=C(C)C#N;AITFYWNIPWVPMB-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325869;MM325869;COC(CO)CC(O)CO;PQWYTNWZRQRWKT-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325870;MM325870;C#CC(=C)CC=C(C)C#C;MKFFDUBUZZWPCC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325871;MM325871;COC(CO)CC(O)CF;MGSATSOOOXLJQP-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325872;MM325872;C#CC(=C)CC=C(F)C#C;ULVLQHVTGXMHNU-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325873;MM325873;COC(CF)CC(O)CO;IYJGWWVERCDHJY-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325874;MM325874;C#CC(=O)CC=C(C)C#C;MHUBLTUTCVWKOE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325875;MM325875;CCC(F)CC(CC)OC;MQGZUNWQHUIQBT-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325876;MM325876;C#CC(=N)NC=C(C)C#C;SINBTMNYUWQGIY-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325877;MM325877;CCC(CC(F)CF)OC;VSLDEJCWTPDNFK-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325878;MM325878;C#CC(=O)NC=C(C)C#C;JTBXKRDZNCXGSV-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325879;MM325879;COC(CN)CC(F)CN;UBJLGJVRMITDOU-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325881;MM325881;COC(CN)CC(F)CO;WRNPZNWMYQVBPE-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325880;MM325880;C#CC(=O)NC=C(F)C#C;WQXFJAVUTRKLGM-UHFFFAOYSA-N;137.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325882;MM325882;CC=C(C=CC(C)=O)CO;XNEIAIGHTYKCSI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325883;MM325883;COC(CN)CC(F)CF;NEOKJIJUQDDZRP-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325884;MM325884;C#CC(=O)NN=C(C)C#C;BPQBXKRFKGKPRV-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325885;MM325885;COC(CO)CC(F)CN;NQXCIVNTRPDEBF-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325886;MM325886;CCC(CC(C)NC)OC;UYLRXINIOAJYMZ-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325887;MM325887;C#CC(=C)OC=C(C)C#C;WWDBAYTXDMVUMU-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325888;MM325888;C#CC(=C)OC=C(F)C#C;SARAHFAWLXPXDY-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325889;MM325889;CNC(C)CC(CN)OC;BXUVWQVXJGUTBN-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325890;MM325890;CNC(C)CC(CO)OC;OZOPWFBREIWJJK-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325891;MM325891;C#CC(=O)OC=C(F)C#C;GWFHTQDQJHBDFK-UHFFFAOYSA-N;138.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325892;MM325892;CCC(CC(C)OC)OC;VISGYJCOUODMLY-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325893;MM325893;C#CC(=O)ON=C(C)C#C;IHOUKHLJWGEIRA-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325894;MM325894;CC=C(C)CC=C(C)CC;YARZOALWOWJYJH-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325895;MM325895;COC(C)CC(CF)OC;VZLREHARUYCDQD-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325896;MM325896;CCC(C)CC(OC)OC;USWFZJZZYGIUCS-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325897;MM325897;CC=C(C)CC=C(C)CN;UIVWFDNNKOSVDY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325898;MM325898;COC(CC(C)CN)OC;ITSTXMPSVGWKTE-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325899;MM325899;CC=C(C)CC=C(C)CO;NPJHJFOOHSEYGX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325900;MM325900;CCC(N)CC(OC)OC;CEKRTDWFSQFLDN-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325901;MM325901;CCC(C)=CCC(C)=CF;ZVLZUHNSJHGYIF-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325902;MM325902;COC(CC(N)CN)OC;MJMUXNVPVWELND-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325903;MM325903;CC(=CCC(C)=CF)CN;ZQPWHJVFEVSHCV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325904;MM325904;COC(CC(N)CO)OC;KOXBACNCVACFIN-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325905;MM325905;CC(=CCC(C)=CF)CO;QUIYLBHIKUQAIA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325906;MM325906;COC(CC(N)CF)OC;BIUMAZSZMFKVMI-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325907;MM325907;CC(=CCC(C)=CF)CF;QPRPTQBOQVNCPG-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325908;MM325908;COC(CC(O)CN)OC;BJEMDIAQZWVXHQ-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325909;MM325909;CC=C(F)CC=C(C)CC;JBAAEDUJYCGAKT-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325910;MM325910;COC(CC(O)CO)OC;UWNOTNDHGNYZKJ-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325911;MM325911;CC=C(F)CC=C(C)CN;HLSAATWWMIKBOF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325912;MM325912;COC(CC(O)CF)OC;YINQUWMLUFKURT-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325913;MM325913;CCC(C)=CCC(F)=CF;FIIMOQSMUOPPJN-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325914;MM325914;CCC(F)CC(OC)OC;RCIXGUZBSUTNOH-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325915;MM325915;CC(=CCC(F)=CF)CN;NWUIPRDFQBVATP-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325916;MM325916;COC(CC(F)CN)OC;OHHNAVSWDHQKMP-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325917;MM325917;CC(=CCC(F)=CF)CF;GVACOSQVRDOPIY-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325918;MM325918;COC(CC(F)CO)OC;WJGJNRVZPFKLEU-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325919;MM325919;CC=C(F)CC=C(F)CO;SHZMDVCHTHBIOO-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325920;MM325920;CCC(C)NC(CC)CC;NEFQCQRAFGLISO-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325921;MM325921;CC=C(F)CC=C(F)CF;VDNRAQLGJLYIHK-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325922;MM325922;CCC(CC)NC(C)CN;PAHZYJDMXDVJAP-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325923;MM325923;CCC(F)=CCC(F)=CF;PIISXZBAVKBSDQ-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325924;MM325924;CCC(CC)NC(C)CO;IYDVAYRMELCUBA-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325925;MM325925;CC=C(C)CC=C(C)OC;IRBIIJNISHJCOX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325926;MM325926;CCC(CC)NC(C)CF;WFFYRBQRPASEDW-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325927;MM325927;COC(C)=CCC(C)=CF;KTMQCNPHRBKJBN-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325928;MM325928;CCC(C)NC(CC)CN;KLCYUDRKCFZHTN-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325929;MM325929;COC(C)=CCC(F)=CF;HYLDYOGEZIUQSA-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325930;MM325930;CCC(CN)NC(C)CN;JXJULEFLMLOVAU-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325931;MM325931;CCC(C)=CCC(C)=NN;NYDNKZGXTVKRIQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325932;MM325932;CCC(CN)NC(C)CO;SFNRMXVUWBELNM-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325933;MM325933;CC(=CCC(C)=NN)CF;ZCEFKTAOUDUVCO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325934;MM325934;CCC(C)NC(CC)CO;INCLGKJCPYDTIO-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325935;MM325935;CCC(C)=CCC(C)=NO;VIEJCNXJPHBSEJ-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325936;MM325936;CCC(CO)NC(C)CN;QUWIMESYDOIHFF-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325937;MM325937;CC(=CCC(C)=NO)CO;FQVOWJJHXHKEKR-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325938;MM325938;CCC(CO)NC(C)CO;JMWVYWNPBUZINO-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325939;MM325939;CC(=CCC(C)=NO)CF;AQTSROXWYCIFRO-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325940;MM325940;CCC(C)NC(CC)CF;DJNSDJMFWLCVGO-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325941;MM325941;CCC(F)=CCC(C)=NN;JZPMFWBTXCUFMK-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325942;MM325942;CCC(CF)NC(C)CN;NDOOARZWPCLXHG-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325943;MM325943;CC(CC=C(F)CF)=NN;NSQVVXIRDVIAAB-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325944;MM325944;CCC(C)NC(CN)CN;NWTVKMJQWYWBGB-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325945;MM325945;COC(C)=CCC(C)=NN;YJPQNTRSBHVPJU-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325946;MM325946;CC(CN)NC(CN)CN;DSZQUILGALDMQV-UHFFFAOYSA-N;146.24;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325947;MM325947;CCC(C)=CN=C(C)NC;GEAYVDYIXNSOEW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325948;MM325948;CC(CO)NC(CN)CN;AOHOCHHUJDXOLK-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325949;MM325949;CCC(C)=CN=C(C)NN;GPVUPYINAHOBSE-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325950;MM325950;CCC(C)NC(CN)CO;FRYRJUWBDLCPMS-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325951;MM325951;CC(=CN=C(C)NN)CF;AYCFGXAJXQPBPS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325952;MM325952;CC(CO)NC(CN)CO;UYMTZQNAMHWRJO-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325953;MM325953;CCC(C)=CN=C(C)NO;RYJHHWIUCKXYHF-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325954;MM325954;CC(CF)NC(CN)CO;IILCFARBKGYTBE-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325955;MM325955;CC(=CN=C(C)NO)CN;RKPSRDGFWOZTBN-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325956;MM325956;CC(CN)NC(CN)CF;GNRYGHIZVJBTKY-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325957;MM325957;CC(=CN=C(C)NO)CF;XETQLMAIQXJXSM-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325958;MM325958;CC(CN)NC(CO)CO;JMTIPMJCEJJYGA-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325959;MM325959;CN=C(C)NC=C(F)CF;LPGITMHFDNEHNW-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325960;MM325960;CC(CO)NC(CO)CO;WOUPERCYSJTXFY-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325961;MM325961;CNC(C)=NC=C(C)OC;SGWXINMETURFII-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325962;MM325962;CC(CN)NC(CF)CF;VUZSBYSUVLTWFC-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325963;MM325963;COC(C)=CN=C(C)NN;NQKBWWKWZFKEND-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325964;MM325964;CCC(C)OC(CC)CC;JDWYDZIKUQYIDA-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325965;MM325965;C=C(F)C=CC(=CC)CO;JYPXPIRSWZVJNI-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325966;MM325966;CCC(CC)OC(C)CN;CTPFLKHNOMVISM-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325967;MM325967;C=CC(C=CC(N)=O)=CC;LSVIOCMBUWJEOQ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325968;MM325968;CCC(CC)OC(C)CO;QZNVOIOXXFGSRU-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325969;MM325969;C=CC(=CCC(=C)C)CO;VCQOVGKQYGSEOL-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325970;MM325970;N#CC1(C=O)CC(CO)C1;LWKKUAYLZTXGHJ-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325971;MM325971;CCC(CC)OC(C)CF;OYTOARZKWCPWLU-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325972;MM325972;CCC1(CCC(N)=O)CC1;DEODXCHFCFVKDN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325973;MM325973;CCC(CN)OC(C)CN;HJGGEFCNLAOXPG-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325974;MM325974;C=CC(O)C(C)=CCC#N;KOJIFGPFBAODSH-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325975;MM325975;CCC(C)OC(CC)CF;PHEATWBZLQWEIV-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325976;MM325976;C=C(CO)C(C)=CC=CC;FXMICSHFDIRXAP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325977;MM325977;CCC(CF)OC(C)CN;MTBNFUAGUOLLGX-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325978;MM325978;CC=C(C)OC=C(C)CC;OSIZIQUPIZKSPH-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325979;MM325979;CCC(C)OC(CN)CN;UQXZMYTXTXPLPG-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325980;MM325980;CC(=CF)OC=C(F)CO;VJJJYZKJKANNMQ-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325981;MM325981;CC(CN)OC(CN)CN;GYXMNDHNCVSDEB-UHFFFAOYSA-N;147.22;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325982;MM325982;CC=C(C)OC=C(C)OC;TWJROTGBMZUDSU-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325983;MM325983;CC(CO)OC(CN)CN;ZEONBLOBAFGWMG-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325984;MM325984;COC(C)=COC(C)=CF;FLPBHSNUPGPLTJ-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325985;MM325985;CC(CN)OC(CN)CO;UVWBNQQGXXFTEM-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325986;MM325986;CCC(C)=COC(C)=NO;OUUIUMHRWXDMND-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325987;MM325987;CC(CO)OC(CN)CO;MSFDZSKOLBBXGD-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325988;MM325988;CC(=COC(C)=NO)CF;VHQKTACQOSJQEC-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325989;MM325989;CC(CN)OC(CO)CO;REXODURQPIZKOY-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325990;MM325990;C=CC(=O)CC=NOCC;BKZFGNYWKFTLQC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325991;MM325991;CC(CO)OC(CO)CO;ZKIOTKCGNGCWRC-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325992;MM325992;COC(C)=COC(C)=NO;MRTVUEYYTYALLN-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325993;MM325993;CC(CF)OC(CO)CO;PRHOLSMFTWLYNP-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325994;MM325994;CCON(C=O)C(=O)CN;OZZMWCOALZMKOY-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325995;MM325995;CCC(C)OC(CO)CF;LUMGDFQXWXEIGD-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325996;MM325996;CC(=NO)NOC(C)=NN;WLVLPVZKJZEHPV-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325997;MM325997;CC(CN)OC(CF)CF;YMJNCCWKIVAXPY-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325998;MM325998;C=CC(C)=CCC(C)=CC;NKOIWCFWMDLWKY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM325999;MM325999;CC=C(C)CC=C(C)C=O;GZZUAHZPPDSZTQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326000;MM326000;CCC(CC)OC(C)OC;IKSHWVHKPUOGTJ-UHFFFAOYSA-N;146.23;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326001;MM326001;C=CC(C)=CCC(C)=CF;DTTGAOFKVMSCBE-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326002;MM326002;CCC(CN)OC(C)OC;BYBBZUYPSSTQEY-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326003;MM326003;CCC(CO)OC(C)OC;ZXQZEIMGYJTSIX-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326004;MM326004;CC(C=O)=CCC(C)=CF;OPSKEJRJIYACIJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326005;MM326005;CC(C#N)=CCC(C)=CF;NEPVVTXGHIMIGP-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326006;MM326006;COC(C)OC(CN)CN;VULIJOJXSFYKCT-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326007;MM326007;CC(C=O)=CCC(F)=CF;YHJYSCWPUWSIID-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326008;MM326008;COC(C)OC(CN)CO;UEUBQAAQWOSJKF-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326009;MM326009;C=CC(F)=CCC(F)=CC;CILIQSDPBVWBCG-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326010;MM326010;COC(C)OC(CO)CO;OTRKIIZTJIJXFL-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326011;MM326011;CC=C(F)CC=C(F)C#N;YTASNLKNBDZRGW-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326012;MM326012;CCC(C)OC(CC)OC;PPDWKDFFSCCUJG-UHFFFAOYSA-N;146.23;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326013;MM326013;C=CC(C)=CCC(C)=NN;BIPGWPQPCZISRD-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326014;MM326014;CCC(OC)OC(C)CO;INIULTWIULVASB-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326015;MM326015;C=CC(C)=CCC(C)=NO;ASALJPRRTDJDNT-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326016;MM326016;COC(CN)OC(C)CN;OHPDKWDNHQHMAH-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326017;MM326017;CC(C=O)=CCC(C)=NO;BZLXTFCCBRWWDP-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326018;MM326018;COC(CN)OC(C)CO;PXKKULVXMNYGSD-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326019;MM326019;CC(C#N)=CCC(C)=NO;TXCIATKAYBAHJM-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326020;MM326020;CCC(C)OC(CO)OC;JRNODMPQVIROGF-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326021;MM326021;C=CC(F)=CCC(C)=NN;LPAFEXBYFODSSI-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326022;MM326022;COC(CO)OC(C)CN;LIHDHROGHAZOQG-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326023;MM326023;C=CC(F)=CCC(C)=NO;NXHXAPPPRKNYIZ-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326024;MM326024;COC(CO)OC(C)CO;NRUZCHXEWZBIFB-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326025;MM326025;C=CC(C)=CNC(C)=NC;NGKLNBLEOVNDFL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326026;MM326026;CCC(C)OC(CF)OC;RKZCEDQMHNQDKF-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326027;MM326027;C=CC(C)C(=CC)C(N)=O;JVUGVYPBVIBGNR-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326028;MM326028;COC(CF)OC(C)CO;OKLSBRKSVWVRNJ-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326029;MM326029;CC(=NO)NC=C(F)C#N;GEOHXSNDPMTPPV-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326030;MM326030;CCC(OC)OC(C)OC;RCZRQFMSHWAGGS-UHFFFAOYSA-N;148.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326031;MM326031;C=CC#CC(C#N)N(C)C;UFNURXBCVCXUBG-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326032;MM326032;CCC(CC)CN(C)CC;DLAZAKAUHNPOJH-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326033;MM326033;C=CC(C)=COC(C)=CC;IDXMYCSACYZFBO-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326034;MM326034;CCC(CN)CN(C)CC;WMNWERVJRPXACE-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326035;MM326035;CC=C(C)OC=C(C)C=O;SUQCYKKTGGFLKD-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326036;MM326036;CCC(CO)CN(C)CC;PXZLZQBKHKEAQB-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326037;MM326037;CC=C(C)OC=C(C)C#N;WORMFRXAGSOFSI-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326038;MM326038;CCN(C)CC(CN)CO;PEYJITGVMMNAIA-UHFFFAOYSA-N;146.23;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326039;MM326039;CC(C=O)=COC(C)=CF;VWRFGEZSUIKGAH-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326040;MM326040;CCN(C)CC(CO)CO;HUSQUPDFKLAFIT-UHFFFAOYSA-N;147.22;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326041;MM326041;C=CC(C)=COC(C)=NO;ZPUMJRNNXVNXNH-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326042;MM326042;CCN(C)CC(CF)CF;IDYGGLKJLLSCRK-UHFFFAOYSA-N;151.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326043;MM326043;C=CC(C)=NOC(C)=NO;GUDZGKMWARQNSR-UHFFFAOYSA-N;142.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326044;MM326044;CCC(CN(C)CC)NC;OIANNLUNXBAJGW-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326045;MM326045;C#CC(C)=CCC(C)=CC;AYJGAUGMWFUZPY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326046;MM326046;CCN(C)CC(CO)NC;GTFRHIUWIBOEEW-UHFFFAOYSA-N;146.23;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326047;MM326047;C#CC(C)=CCC(C)=CF;BMBMGULINYANQZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326048;MM326048;CCC(CN(C)CC)OC;KGBHONXRBDDFNJ-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326049;MM326049;C#CC(F)=CCC(F)=CF;QTKHXLRABQTMAO-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326050;MM326050;CCN(C)CC(CF)OC;GOKFMNDRYSOBRN-UHFFFAOYSA-N;149.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326051;MM326051;C#CC(C)=CCC(C)=NN;NYXZJRXTOKUFFF-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326052;MM326052;CCC(C)CN(CC)CC;JRHGZGWIJIJJTE-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326053;MM326053;C#CC(C)=CCC(C)=NO;IGXAGZOTIDGREA-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326054;MM326054;CCN(CC)CC(C)CN;WDCCROLLJZMYQF-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326055;MM326055;C#CC(F)=CCC(C)=NN;LRCOWQKVFSTWHS-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326056;MM326056;CCN(CC)CC(C)CO;HYVCZRSDLQOFKL-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326057;MM326057;C#CC(F)=CNC(C)=NO;XPGVDCMIEONPJB-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326058;MM326058;CCN(CC)CC(C)CF;ATJUOIUNBGKCAW-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326059;MM326059;C#CC(C)=COC(C)=CC;MVXNBGNTKFLDML-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326060;MM326060;CCC(N)CN(CC)CC;DFSMJKLTTCAJDF-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326061;MM326061;CC=CC=CC(=CC)CO;QOYKYPWAOCKKAZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326062;MM326062;CCN(CC)CC(N)CN;YISFSOKBXNQMSG-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326063;MM326063;C#CC(C)=COC(C)=NO;OZDYKMFESHHSGQ-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326064;MM326064;CCN(CC)CC(N)CO;LKVQLJRHYBBPGM-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326065;MM326065;CC=C(C=CC=CF)CO;IZRWZRYZQMBRNC-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326066;MM326066;CCN(CC)CC(N)CF;RPOYQZYCPKCJLF-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326067;MM326067;C#CC(F)=COC(C)=NO;APERWRKFOVZZJY-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326068;MM326068;CCC(O)CN(CC)CC;MYEXJQKKWOPGGE-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326069;MM326069;CCC(C)=CC=C(C)CC;HOKNEAXKAGETSV-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326070;MM326070;CCN(CC)CC(O)CN;LEJMOTVCCRDZNE-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326071;MM326071;CCC(C)=CC=C(C)CN;VOYBEBIGDUSCSL-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326072;MM326072;CCC(F)CN(CC)CC;UXSKRNBVCWUHDX-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326073;MM326073;CCC(C)=CC=C(C)CO;JIRKEFSZCQISNX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326074;MM326074;CCN(CC)CC(F)CN;UGNOZCIRXCPEAJ-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326075;MM326075;CCC(C)=CC=C(C)CF;VXGSPMQPPBKGON-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326076;MM326076;CCN(CC)CC(C)NC;CFECMQYNBQYDRQ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326077;MM326077;CC(=CC=C(C)CO)CN;DLRTZELVZOJCJK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326078;MM326078;CCN(CC)CC(C)OC;UYSHPGPPSNXVHD-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326079;MM326079;CC(=CC=C(C)CO)CO;DPMVUZPSIORVMX-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326080;MM326080;CCC(C)=CC=C(F)CC;XYDLXPLCWWTKCN-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326081;MM326081;C=CC(C)CC(CC)CC;OXFNXMHBVVNHOH-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326082;MM326082;CCC(F)=CC=C(C)CN;GDUXXPUDANHKPJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326083;MM326083;CCC(CC)CC(C)C=O;XLRQQPVYNKKZNV-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326084;MM326084;CCC(CC)CC(C)C#N;SGVGWYPHCOFDMM-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326085;MM326085;CC(=CC=C(F)CF)CN;RXZVAAZXFJMTIM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326086;MM326086;CCC(C)=CC=C(C)OC;VWBQWFPRTHXGRQ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326087;MM326087;C=CC(C)CC(CC)CN;JYTNKFJLRIINBJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326088;MM326088;COC(C)=CC=C(C)CN;GMOSTVUKFLLBDH-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326089;MM326089;C=C(C=O)C=CCCCO;GTJKSDBRYZLMEU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326090;MM326090;COC(C)=CC=C(C)CO;QCMUCMGXBLSMOT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326091;MM326091;C=C(C#N)C=CCCCO;DMRFNPSJUZPECN-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326092;MM326092;COC(C)=CC=C(C)OC;JVOVFFLMWVPPBD-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326093;MM326093;C=CC(C)CC(CC)CF;SYWXKRZIBVKSTQ-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326094;MM326094;CCC(C)=NN=C(C)CC;LAWAERKRWYQEEN-UHFFFAOYSA-N;140.23;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326095;MM326095;CCC(CF)CC(C)C=O;BFXBNOODVUDZSB-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326096;MM326096;CCC(=N)NN=C(N)NC;VGGQORUSMFKAPO-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326097;MM326097;C=CC(C)CC(CN)CF;FPVURKBPSBLNSR-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326098;MM326098;CCC(=N)NN=C(N)NN;KCOWGPSSKFSICU-UHFFFAOYSA-N;144.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326099;MM326099;C=CC(C)CC(CO)CO;HVJRGSUKUDQFKV-UHFFFAOYSA-N;144.21;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326100;MM326100;COC(C)=NN=C(C)CF;NLMAMIRPHQJDSX-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326101;MM326101;CC(C=O)CC(CO)CO;ZQBCMPUBAHQDFE-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326102;MM326102;CNC(=N)NN=C(N)OC;QPONKNJJGHVHIO-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326103;MM326103;C=CC(C)CC(CF)CF;IMBPRKJISWRXBN-UHFFFAOYSA-N;148.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326104;MM326104;COC(C)=NN=C(C)OC;SBFYEZZMXJJNCZ-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326105;MM326105;CC(C=O)CC(CF)CF;WPQJMANOZBLNJO-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326106;MM326106;CC=C(C=CC=NN)CO;GLWCOYNMQVTURM-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326107;MM326107;CC(C#N)CC(CF)CF;YJMSTKAODXSKFO-UHFFFAOYSA-N;147.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326108;MM326108;C=CC(C)=CC=C(C)CC;ZJGMPOSWJWKLBY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326109;MM326109;C=CC(N)CC(CC)CC;CSCISOQCPYJZFT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326110;MM326110;CCC(C)=CC=C(C)C=O;HOLWPPRCXHVFNS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326111;MM326111;CCC(C)=CC=C(C)C#N;YIUVYNWVMRZZFB-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326112;MM326112;C=CC(N)CC(CC)CN;LRLCNORSXGRJGM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326113;MM326113;C=CC(C)=CC=C(C)CN;TWEMXRXEEZTGHV-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326114;MM326114;C=CC(N)CC(CC)CO;NBKNYUOEEANWJY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326115;MM326115;C=CC(N)CC(CC)CF;JEGPWXVXUMYZIY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326116;MM326116;C=CC(C)=CC=C(C)CO;LTHWJNYPQFTRBH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326117;MM326117;CC(C=O)=CC=C(C)CO;QCCUQQLPOIRAHC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326118;MM326118;C=CC(N)CC(CO)CO;MRBRUEQIKDSSJN-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326119;MM326119;CC(C#N)=CC=C(C)CO;RLBFAHHUJOFTCZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326120;MM326120;C=CC(=O)C=CCCCO;PHUKTCNPQBDINS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326121;MM326121;CC(C#N)=CC=C(C)CF;XHSDLBAAFLQLBH-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326122;MM326122;CCC(CC)CC(O)C=O;XPOFVTNEVVPUTI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326123;MM326123;C=CC(F)=CC=C(C)CC;LXUZLLQVVYFXRK-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326124;MM326124;CCC(CC)CC(O)C#N;ONEKFHBNCKXKFE-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326125;MM326125;C=CC(F)=CC=C(C)CN;YVVYDWPUPSDGGG-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326126;MM326126;C=CC(O)CC(CC)CN;ZXJDVYYESDRASK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326127;MM326127;CC(=CC=C(F)C#N)CF;ZDHIEZOGAANFAJ-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326128;MM326128;C=CC(O)CC(CC)CO;HBBWHYNDOAYQII-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326129;MM326129;CC(C=O)=CC=C(F)CO;HIUVGNFOQXQYMW-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326130;MM326130;CCC(CO)CC(O)C=O;UDOBAFWRBMAFHL-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326131;MM326131;CC(C#N)=CC=C(F)CO;GYNGDUJYSZYDHN-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326132;MM326132;CCC(CF)CC(O)C#N;KESQSGPHYJIQMI-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326133;MM326133;C=CC(C)=CC=C(C)OC;SJWBYQNXHCKKIB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326134;MM326134;C=CC(O)CC(CO)CO;CVAGYJPJASGNRP-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326135;MM326135;COC(C)=CC=C(C)C=O;KLVDWTBNEYVJNL-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326136;MM326136;O=CC(O)CC(CO)CO;RTRWKXFEAUIBOX-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326137;MM326137;COC(C)=CC=C(C)C#N;WWMNZBUJFSKKHU-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326138;MM326138;N#CC(O)CC(CO)CO;PPHOLSIGNUMOQD-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326139;MM326139;C=CC(C)=NN=C(C)CC;BFLGKQKXYBSPRK-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326140;MM326140;C=CC(O)CC(CF)CF;VBUNUVMMNDVZRO-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326141;MM326141;CCC(C)=NN=C(C)C#N;IVWYTZPHFLQTEG-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326142;MM326142;O=CC(O)CC(CF)CF;HTKNPPGRPIKAFA-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326143;MM326143;CC(C#N)=NN=C(C)CO;XUKMRSQICAPGOV-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326144;MM326144;N#CC(O)CC(CF)CF;VDCIWQJWYFEBKY-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326145;MM326145;C=CC(C)=NN=C(C)OC;LKHWEFAUOCQEQK-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326146;MM326146;COC(C)=NN=C(C)C=O;XQACXXLMWRZOGW-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326147;MM326147;C=CC(F)CC(CC)CC;MTFJIOBFIASRRC-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326148;MM326148;C#CC(C)=CC=C(C)CC;WSWUQZBGFJPTNH-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326149;MM326149;CCC(CC)CC(F)C=O;GVFUGONUGVQVPT-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326150;MM326150;C#CC(C)=CC=C(C)CN;HDVLPPBJUOJJER-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326151;MM326151;CCC(CC)CC(F)C#N;PNAGYAUWBGVEQA-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326152;MM326152;C#CC(C)=CC=C(C)CO;DSUIISXGUXAYQG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326153;MM326153;C=CC(F)CC(CC)CN;JQSISIGJJDMVNQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326154;MM326154;C#CC(C)=CC=C(C)CF;IXHWTEIZOOFMKX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326155;MM326155;C=CC(F)CC(CC)CO;BQFNHMBVQHTCCB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326156;MM326156;C#CC(F)=CC=C(C)CC;WSAKFXJEUWNYAH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326157;MM326157;C=CC(F)CC(CN)CN;ZMTWTIOVJMIZGO-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326158;MM326158;C#CC(C)=CC=C(C)OC;TVNPACIZCOKRGQ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326159;MM326159;N#CC(F)CC(CO)CO;UDXADQABRYLDIR-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326160;MM326160;C#CC(C)=NN=C(C)CC;YDPVDFDRYJTGEW-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326161;MM326161;O=CC(F)CC(CO)CF;QXOUKHXPXLTVKN-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326162;MM326162;C#CC(C)=NN=C(C)CO;PMYILBMVLYWWSW-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326163;MM326163;C=CC(F)CC(CF)CF;UEDBIRBIARDJFJ-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326164;MM326164;C#CC(C)=NN=C(C)OC;AVCSYKYFOPMQEV-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326165;MM326165;N#CC(F)CC(CF)CF;DXHHZDKPACEVJO-UHFFFAOYSA-N;151.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326166;MM326166;C=CC(C)=CC=C(C)C=C;LNNNSGZDGYQXQO-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326167;MM326167;C=CC(C)CC(CC)NC;WDPNCCQZCKXFRJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326168;MM326168;C=CC(C)=CC=C(C)C=O;WHWWQIWDVIUQCL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326169;MM326169;CCC(CC(C)C=O)NC;JVHBZMXACNYQJW-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326170;MM326170;C=CC(C)=CC=C(C)C#N;LSHSEJNGKZSCQT-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326171;MM326171;CCC(CC(C)C#N)NC;MMPPKGMISVNOTD-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326172;MM326172;CC(C=O)=CC=C(C)C=O;XHUFVTGORQPERW-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326173;MM326173;CNC(CO)CC(C)C=O;HXDFSWWUUMYQHZ-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326174;MM326174;CC(C#N)=CC=C(C)C=O;FVLSBGYLRUVZOU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326175;MM326175;C=CC(C)CC(CF)NC;NEXUDJICBRUQBY-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326176;MM326176;CC(C#N)=CC=C(C)C#N;OWYAOOBOZGUDER-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326177;MM326177;C=CC(O)CC(CC)NC;VXEIEUYOPCDWSC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326178;MM326178;C=CC(O)CC(CN)NC;LXQSKSQCWKXVCH-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326179;MM326179;C=CC(F)=CC=C(C)C=O;MHORBGFVNITPHU-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326180;MM326180;CNC(CO)CC(O)C#N;OHPBMZJHIRXDLD-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326181;MM326181;C=CC(C)=NN=C(C)C#N;SUCNGBDNTBQAFZ-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326182;MM326182;CC(C=O)=NN=C(C)C=O;DWNFPIXVOFGTBY-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326183;MM326183;C=CC(F)CC(CC)NC;SOSYOTWWIUXNKN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326184;MM326184;CNC(CO)CC(F)C=O;ZPGYARFMHWFWAL-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326185;MM326185;CC(C#N)=NN=C(C)C=O;DGGMDOPHGKURRQ-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326186;MM326186;CNC(CO)CC(F)C#N;BPKGXJSMDJWVDD-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326187;MM326187;CC(C#N)=NN=C(C)C#N;LYVGWVKKUDRIOP-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326188;MM326188;C=CC(F)CC(CF)NC;HYVACVVHXQUYBD-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326189;MM326189;C#CC(C)=CC=C(C)C=C;LNMBGUBLFJGEPP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326190;MM326190;C=CC(C)CC(CC)OC;QALGCUBMHBYHRN-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326191;MM326191;C#CC(C)=CC=C(C)C=O;IPHGKBRZPWMTDE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326192;MM326192;CCC(CC(C)C#N)OC;UJRGIFGOIRKYFM-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326193;MM326193;C#CC(C)=CC=C(C)C#N;RKJQDTRVFROVOX-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326194;MM326194;C=CC(C)CC(CO)OC;FBAIBRUXBUTITM-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326195;MM326195;C#CC(F)=CC=C(F)C#N;NZHOURARINVFFA-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326196;MM326196;COC(CO)CC(C)C=O;FIYXMSWBKBPPNC-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326197;MM326197;C#CC(C)=NN=C(C)C=C;AYXMDNPUSAUSDB-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326198;MM326198;C=CC(C)CC(CF)OC;DXECOYLXTDFDEK-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326199;MM326199;C#CC(C)=NN=C(C)C=O;LSBVUIYVLQVLTC-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326200;MM326200;C=CC(O)CC(CC)OC;WQSGPPAELZRKBW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326201;MM326201;C#CC(C)=NN=C(C)C#N;IKQUGSNXLZRSQM-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326202;MM326202;C=CC(O)CC(CN)OC;IZEVXHIUWQXHJI-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326203;MM326203;C#CC(C)=CC=C(C)C#C;TUMDVXSQOYTQKP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326204;MM326204;C=CC(O)CC(CO)OC;XEODZGUITSQBRS-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326205;MM326205;CC1C(C)C(C)(CN)C1C;OCOBYWXYKZPEMV-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326206;MM326206;COC(CO)CC(O)C=O;QWWVJTOOIMTPPN-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326207;MM326207;C=CC(=CCC=CC)CO;IRSGXTSXXFEVMP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326208;MM326208;COC(CO)CC(O)C#N;SQJOSMFTRXZFKD-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326209;MM326209;C#CC1(C)C(C)C(F)C1C;MPBFDTKSZVYFHD-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326210;MM326210;COC(CF)CC(F)C=O;IULNGBFKOYXFFT-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326211;MM326211;CCC1(C)C(C)C(=O)C1C;NLKLQWFPUVVXKE-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326212;MM326212;C=CC(N)CC(OC)OC;XMRKQBNQCCCIGF-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326213;MM326213;CC1C(=O)C(C)(CO)C1C;RYXLLJIJIGENIO-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326214;MM326214;COC(CC(O)C=O)OC;KJRDAJKBHPTIMG-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326215;MM326215;CC1N(C)C(=O)C1(C)CN;FIUWDAKVGGRSGR-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326216;MM326216;C=CC(F)CC(OC)OC;HVHHFNDAEWHFFB-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326217;MM326217;C=CC1(C)C(=O)C(C)C1C;JZHJMKJDCLPTBL-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326218;MM326218;C=CC(C)NC(CC)CC;VYHIXRWORYRKGX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326219;MM326219;CC1C(=O)C(C)(C=O)C1C;FQJXGYZZPGVIAB-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326220;MM326220;CCC(CC)NC(C)C=O;DMKNXDQKORRQBP-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326221;MM326221;CC1C(=O)C(C)(C#N)C1C;WYSAVHKWNBMSIT-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326222;MM326222;CCC(CC)NC(C)C#N;MJMLMGXQDYDTSQ-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326223;MM326223;C#CC1(C)C(=O)C(C)C1C;DQSXDRPUSWRJDT-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326224;MM326224;C=CC(C)NC(CC)CO;ZTVATXNTZYYEEV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326225;MM326225;C#CC1(C)C(=O)N(C)C1C;HZLSUIQQTJNGCA-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326226;MM326226;C=CC(C)NC(CC)CF;QHHOIIVGOTVWEO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326227;MM326227;C#CC1(C)C(=O)C(C)N1C;UNIGOTWJXBNRMU-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326228;MM326228;C=CC(C)NC(CN)CN;YQZPCKQGKLGLCR-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326229;MM326229;CCC1(C)CC(CN)C1C;IJPLVORFRROLJR-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326230;MM326230;C#CC(=C)C=CCCCO;MSDXZGPAVYJKHM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326231;MM326231;C=CC(=CCC=CF)CO;QUSVQMXKKATXEV-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326232;MM326232;CC(C#N)NC(CF)CF;RPHBXDZPEYLVEX-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326233;MM326233;CCC1CC(C)(CN)C1C;LYMHYXDSCWQXCQ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326234;MM326234;C=CC(C)OC(CC)CC;XHDAORZQMXFWCU-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326235;MM326235;CC1C(CN)CC1(C)CN;CPDRETZYRABPDK-UHFFFAOYSA-N;142.25;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326236;MM326236;CCC(CC)OC(C)C=O;RSAZZXSNSTZCCS-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326237;MM326237;CC1C(CN)CC1(C)CO;GALFTMARXTXUDS-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326238;MM326238;C=CC(C)OC(CC)CN;BGWRRRYHIYJPOT-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326239;MM326239;C=CC(=CCC=NN)CO;GTAJKYASUAGSSB-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326240;MM326240;C=NN(C=N)C(=N)CC=O;DWAKXUMWZCAIND-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326241;MM326241;C=CC(C)OC(CC)CO;AGWVZERQSZVBKD-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326242;MM326242;CC1C(CF)CC1(C)CF;GZYXKWJLMWASMB-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326243;MM326243;C=CC(C)OC(CC)CF;TXLHRCABUMDXEY-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326244;MM326244;CCC1CC(C)(CN)C1N;DCZKXKCFJSXKRB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326245;MM326245;CCC(CF)OC(C)C=O;CJGUHZYNWNOVHI-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326246;MM326246;CCC1CC(C)(CF)C1N;FYJUNMFMQYMLLS-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326247;MM326247;CCC(CF)OC(C)C#N;HQONJHAAYYTBHY-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326248;MM326248;CCC1(N)CC(CF)C1C;UEPWMTOTXFJFAY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326249;MM326249;CC(C=O)OC(CO)CO;NRIXUXXDGJTKMP-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326250;MM326250;CC1C(CN)CC1(N)CF;IUYIEISVKLNECC-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326251;MM326251;C=CC(C)OC(CC)OC;AFZXGTPVFIFLEV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326252;MM326252;CC1C(CF)CC1(N)CF;UXZYLNTXTBOZFW-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326253;MM326253;COC(CO)OC(C)C=O;ASYZWMTWSAFXPE-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326254;MM326254;NC1C(CO)CC1(N)CO;OMHPWXLBKKUBCK-UHFFFAOYSA-N;146.19;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326255;MM326255;C=CC(C)OC(CF)OC;AOOAESACMHJZDC-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326256;MM326256;NC1C(CO)CC1(N)CF;QXWJWVCVLDLJEU-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326257;MM326257;COC(CF)OC(C)C=O;SGZRPUVQYJEQQZ-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326258;MM326258;CCC1(O)CC(CO)C1C;RUMJVXQGBXMLCF-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326259;MM326259;CCC(CC)CN(C)C=N;HHMNDBUCWAYTPP-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326260;MM326260;CCC1CC(O)(CN)C1C;XFWZMNLMGIMFKP-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326261;MM326261;CCC(CC)CN(C)C=O;ZKUCRAARIDXEHO-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326262;MM326262;CC1C(CN)CC1(O)CN;YZPVMFTWXXTSHL-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326263;MM326263;CCC(CF)CN(C)C=N;MNZQIXLIVICRKC-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326264;MM326264;CC1C(CN)CC1(O)CO;AYBYDWADJNTAGQ-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326265;MM326265;CCC(CF)CN(C)C=O;NOMSUEICYLHHJA-UHFFFAOYSA-N;147.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326266;MM326266;CC1C(CN)CC1(O)CF;AKSHOWKGTWTNEU-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326267;MM326267;CN(C=N)CC(CN)CN;RMJCSBYYAADUFB-UHFFFAOYSA-N;144.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326268;MM326268;CCC1CC(F)(CC)C1C;DDGILBQEVKFUTH-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326269;MM326269;CC1C(CN)CC1(F)CN;RARHTXGJRNCLGM-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326270;MM326270;CN(C=N)CC(CN)CO;OQMSYNMNLOAKCR-UHFFFAOYSA-N;145.21;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326271;MM326271;CC1C(CN)CC1(F)CO;NMWCHUQXWQWZQC-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326272;MM326272;CN(C=O)CC(CN)CO;ZJEIISKRXJSLNC-UHFFFAOYSA-N;146.19;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326274;MM326274;CCC1(C)CC(NC)C1C;BYCJBDQFSIQOTL-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326273;MM326273;CN(C=N)CC(CN)CF;CBZAAENVAGHELL-UHFFFAOYSA-N;147.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326275;MM326275;CN(C=O)CC(CN)CF;BOEBMEWFTIBRQP-UHFFFAOYSA-N;148.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326276;MM326276;CNC1CC(C)(CO)C1C;MOLPODLVBLVGHS-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326277;MM326277;CN(C=N)CC(CO)CO;XPTPYHSSZNGHGI-UHFFFAOYSA-N;146.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326278;MM326278;CNC1CC(C)(CF)C1C;TWJGRYKIHOGJQD-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326279;MM326279;CN(C=O)CC(CO)CO;IJJNIMHXEHWZDA-UHFFFAOYSA-N;147.17;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326280;MM326280;CCC1(N)CC(NC)C1C;CHIBHBNXTDOCNR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326281;MM326281;CN(C=O)CC(CF)CF;GQNXMUUPWQOGFK-UHFFFAOYSA-N;151.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326282;MM326282;CNC1CC(N)(CN)C1C;TXCPXVBTSHZNPZ-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326283;MM326283;CCC(CC)CN(N)C=N;JMMIRZJHAAFHHW-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326284;MM326284;CCC1(F)CC(NC)C1C;YMYFGFOKJHTBQI-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326285;MM326285;CCC(CC)CN(N)C=O;YVQWWEAEBOUPJZ-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326286;MM326286;CNC1CC(F)(CN)C1C;XTUYLHWQAPFXJS-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326287;MM326287;CCC(CO)CN(N)C=N;VPMXDKGGNAYEDO-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326288;MM326288;CNC1CC(F)(CO)C1C;YKAAFFWAWYAELX-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326289;MM326289;CCC(CF)CN(N)C=N;BGGKRHZEPBIMBV-UHFFFAOYSA-N;147.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326290;MM326290;COC1CC(N)(CO)C1C;KPOZHQBFGHRVHN-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326291;MM326291;CCC(CF)CN(N)C=O;SJHMOEPFDBEQFY-UHFFFAOYSA-N;148.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326292;MM326292;COC1CC(O)(CN)C1C;STNMMQGIYAVLOM-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326293;MM326293;N=CN(N)CC(CO)CO;LJEQERXDIMTQRH-UHFFFAOYSA-N;147.18;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326294;MM326294;CCC1CC(C)(NC)C1C;NGWBNNYIFYOXDK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326295;MM326295;CCC(CC)CN(O)C=N;HGKILAUTHJDWPM-UHFFFAOYSA-N;144.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326296;MM326296;CNC1(C)CC(CN)C1C;BNAQVTXMGNKDNT-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326297;MM326297;CCC(CC)CN(O)C=O;BJUMTTQRIPTHSN-UHFFFAOYSA-N;145.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326298;MM326298;CNC1(C)CC(CO)C1N;HCJVOFPIAKFUIR-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326299;MM326299;CCC(CN)CN(O)C=N;DJZGOQRDLAPZAP-UHFFFAOYSA-N;145.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326300;MM326300;CNC1CC(C)(NC)C1C;WOCBYWPVLJFNAJ-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326301;MM326301;CCC(CO)CN(O)C=N;KWEGNDYCGNYMBF-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326302;MM326302;CNC1CC(C)(OC)C1C;ZNXBAOOMOPWOJX-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326303;MM326303;N=CN(O)CC(CN)CN;NHHMXWSLDPYCJF-UHFFFAOYSA-N;146.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326304;MM326304;CCC1NC(C)(CC)C1C;QSNJBUMNFFTNCB-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326305;MM326305;N=CN(O)CC(CN)CF;PCYWMCGRSVCYAV-UHFFFAOYSA-N;149.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326306;MM326306;CCC1(C)NC(CN)C1C;AYFIGNKPHRQAIG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326307;MM326307;N=CN(O)CC(CO)CO;UGRNVPCVQPBLJJ-UHFFFAOYSA-N;148.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326308;MM326308;O=CN(O)CC(CF)CF;NHSJGWRTRMVGQD-UHFFFAOYSA-N;153.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326309;MM326309;CCC1(C)NC(CF)C1C;RIDDIGNYXATDSW-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326310;MM326310;C=NN(C)CC(CC)CC;WARPNVFEWGQRGX-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326311;MM326311;CCC1NC(C)(CN)C1C;JIBKSUSLGYXTRI-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326312;MM326312;C=NN(C)CC(CC)CF;PGNUSTCAKGZQGQ-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326313;MM326313;CC1C(CF)NC1(C)CN;QCHILJLGXUMKSG-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326314;MM326314;C=NN(C)CC(CN)CO;OVBMNVBNDJUOQZ-UHFFFAOYSA-N;145.21;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326315;MM326315;CC1C(CF)NC1(C)CO;BSRWTUXVZDLJNP-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326316;MM326316;C=NN(C)CC(CN)CF;RHMKASBPOPQTCK-UHFFFAOYSA-N;147.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326317;MM326317;CCC1OC(C)(CC)C1C;QUROBUHSPCNQLA-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326318;MM326318;CC=C(C)C=CCCCO;SKZFMGUOVJDLFU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326319;MM326319;CCN1CC(C)(CC)C1C;GRBDDFCFGXRZKQ-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326320;MM326320;CNC(CN)CN(C)C=N;OSGJMTAYTIURBO-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326321;MM326321;CCN1CC(N)(CC)C1C;HHKPDKFPYRFHII-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326322;MM326322;CNC(CO)CN(C)C=O;HMARNIFHBHIGLD-UHFFFAOYSA-N;146.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326323;MM326323;CCN1CC(O)(CN)C1C;ANMUSVPSUREOME-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326324;MM326324;CCC(CN(N)C=N)NC;ZWKOKGABEMDLKU-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326325;MM326325;CCN1CC(C)(NC)C1C;KKMLJCWLCIWJCI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326326;MM326326;CCC(CN(N)C=O)NC;WWCDLYOWRIMMLK-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326327;MM326327;CCC1(C)CC(CO)N1C;XUNYNLNIPKHAKE-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326328;MM326328;CNC(CO)CN(N)C=O;SBGNGSNNNHHSTJ-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326329;MM326329;CCC1CC(C)(CN)N1C;WCLHQFWRPGWJNN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326330;MM326330;CNC(CN)CN(O)C=N;OGVROHASEILSAA-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326331;MM326331;CCC1CC(C)(CO)N1C;SOJVSJLCZYRVDU-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326332;MM326332;C=NN(C)CC(CO)NC;FIOFBINTBFHYMU-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326333;MM326333;C=CC1CC(C)(CC)C1C;NCPBMBDLXAKZHR-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326334;MM326334;COC(CO)CN(C)C=N;RBNXWVOBWARAQQ-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326335;MM326335;CCC1(C)CC(C#N)C1C;MFDBGDQZWCSRFR-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326336;MM326336;COC(CO)CN(C)C=O;ARVSAJSFFBDOQV-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326337;MM326337;CC1C(C=O)CC1(C)CF;PKUMAJNDVQGAEI-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326338;MM326338;COC(CF)CN(C)C=N;SPRDRSLPJRBURT-UHFFFAOYSA-N;148.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326339;MM326339;CC1C(C#N)CC1(C)CF;XOGPBDMPVBWUNW-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326340;MM326340;COC(CF)CN(C)C=O;DKMDDCJVGYUXOT-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326341;MM326341;C=CC1CC(N)(CN)C1C;ZIRUEURYHIRZGT-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326342;MM326342;CC(C=CCCCO)=NN;LLRBRSSBWDRPTC-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326343;MM326343;COC(CN)CN(O)C=N;KCPPPEBSHQJQTQ-UHFFFAOYSA-N;147.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326344;MM326344;CC(CC=O)C1(C#N)CN1;UXVOKWFQJOOSOH-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326345;MM326345;C=NN(C)CC(CC)OC;OXUWSPNJSKGDAN-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326346;MM326346;CCC1(O)CC(C#N)C1C;YUFLVERNZGIWSO-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326347;MM326347;C=NN(C)CC(CN)OC;VAZRKCNTLCSPAZ-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326348;MM326348;CC1C(C#N)CC1(O)CO;FEFQYMLDTYJKKA-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326349;MM326349;COC(CN(C)C=N)OC;ZUWZPXPOTUIIDG-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326350;MM326350;C=CC1CC(F)(CC)C1C;JZDHCAOZOFQGIY-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326351;MM326351;COC(CN(C)C=O)OC;YBCVOVRFQNCQRG-UHFFFAOYSA-N;147.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326352;MM326352;CCC1(F)CC(C=O)C1C;HFSFNJCFWLWBHF-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326353;MM326353;COC(CN(N)C=N)OC;SWUCJNQMULBGFN-UHFFFAOYSA-N;147.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326354;MM326354;C=CC1CC(F)(CN)C1C;KQQJPYWKVGPFBJ-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326355;MM326355;COC(CN(N)C=O)OC;ZZEXDZNABUYMHE-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326356;MM326356;C=CC1CC(C)(NC)C1C;NFGHSBPUPVSEDT-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326357;MM326357;CCC(CC)NN(C)C=N;BJZNRMDMBBPSHE-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326358;MM326358;CNC1(C)CC(C=O)C1C;NPOVBFYXIIVBAM-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326359;MM326359;CCC(CC)NN(C)C=O;GBAPQAXWUHZOMK-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326360;MM326360;C=CC1CC(C)(NC)C1N;JFQPPQKQVUMRNP-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326361;MM326361;CCC(CN)NN(C)C=N;UAEVOHVJNWQSPB-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326362;MM326362;C=CC1NC(C)(CC)C1C;PQHDQBJDDKGBMR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326363;MM326363;CCC(CN)NN(C)C=O;ONIGCGQVSRRUHM-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326364;MM326364;CCC1(C)NC(C=O)C1C;YGDQESFWKHYGBP-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326365;MM326365;CCC(CO)NN(C)C=N;RVHZTNUMNKJFIJ-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326366;MM326366;C=CC1NC(C)(CC)C1N;QZMJNJWLIKTDSD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326367;MM326367;CN(C=O)NC(CN)CO;SPLNXUJQZCKCQB-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326368;MM326368;CC1N(C=N)CC1(C)CN;KSFNEMRSDITWSQ-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326369;MM326369;CN(C=N)NC(CO)CO;KEZPKRFIQKNZOU-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326370;MM326370;CC1N(C=O)CC1(C)CN;SDJDTNUCFCUMMV-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326371;MM326371;C#CC(F)C(CF)=NNC;KSTZENSBDRAHBM-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326372;MM326372;CC1N(C=N)CC1(C)CO;ZKVUDHKICIBRBS-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326373;MM326373;CCC(CC)ON(C)C=N;DQZAZIILEVGXFW-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326374;MM326374;CC1N(C=O)CC1(C)CO;QDUHZSTWYXULJE-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326375;MM326375;CCC(CC)ON(C)C=O;SGDUCMLPGAQRQD-UHFFFAOYSA-N;145.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326376;MM326376;CCC(CN)ON(C)C=N;ZGIHSHQVKCWCJF-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326377;MM326377;CC1N(C=N)CC1(C)CF;AUJPWZMEZMGUTK-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326378;MM326378;CCC(CO)ON(C)C=N;NYQRPPOOHJKZRS-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326379;MM326379;CC1N(C=N)CC1(N)CO;CGOQMWUVEFUEMU-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326380;MM326380;CN(C=N)OC(CN)CO;IFYJLYIDKFGXQK-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326381;MM326381;CC1N(C=N)CC1(O)CN;DSRAQFBEGGCEKK-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326382;MM326382;CN(C=N)OC(CO)CO;MNKFVWQWMDEHRU-UHFFFAOYSA-N;148.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326383;MM326383;CC1N(C=N)CC1(O)CO;HOTJDPUGSYRACO-UHFFFAOYSA-N;144.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326384;MM326384;CN(C=O)OC(CO)CO;OQCLTLUGHCRIED-UHFFFAOYSA-N;149.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326385;MM326385;C=NN1CC(C)(CC)C1C;UFKLKLVJQXPVOL-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326386;MM326386;COC(CO)ON(C)C=N;JEASRYQDUQNWSD-UHFFFAOYSA-N;148.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326387;MM326387;C=NN1CC(C)(CN)C1C;DDYDIWJENPRSBS-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326388;MM326388;COC(CO)ON(C)C=O;LKNGCRNVLYLAFV-UHFFFAOYSA-N;149.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326389;MM326389;C=c1ccc(CO)cc1=C;AMDPTPUFDKEMQF-UHFFFAOYSA-N;134.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326390;MM326390;COC(CF)ON(C)C=N;JXSIXQIXUSBRJT-UHFFFAOYSA-N;150.15;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326391;MM326391;C=NN1CC(C)(CF)C1C;SRIOJJADZOMWOM-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326392;MM326392;C=CC(C)CN(CC)CC;XGLFRMSLOLDUBS-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326393;MM326393;C=NN1CC(N)(CC)C1C;FSRNEWZKGPHABI-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326394;MM326394;CCN(CC)CC(C)C=O;YGJLVJDJJHYNBG-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326395;MM326395;C=NN1CC(N)(CN)C1C;GHGJNGJORZWODV-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326396;MM326396;C=CC(N)CN(CC)CC;ORKHFIMEMMCLCE-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326397;MM326397;C=NN1CC(O)(CN)C1C;CNASVCPWZGDFNJ-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326398;MM326398;C=CC(F)CN(CC)CC;NUEGTSJIOXOMEM-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326399;MM326399;CNC1(C)CN(C=O)C1C;ZYXABSZKHDWHEO-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326400;MM326400;CCN(CC)CC(F)C#N;BYNWWKWRMFKHKA-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326401;MM326401;C#CC(C)CC(CC)CC;FGFALYCHWXIYHL-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326402;MM326402;C=NN1CC(C)(NC)C1C;SFUGHKZOCALXBB-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326403;MM326403;C#CC(C)CC(CC)CN;SNOBRQUCMQHQOC-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326404;MM326404;C#CC1CC(C)(CC)C1C;GYZJGBZMYZFWCI-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326405;MM326405;CC=CC(=CC)CCCO;MZKRHIAYSLOPGP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326406;MM326406;C#CC1CC(C)(CN)C1C;AMCRRCCMIASLDT-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326407;MM326407;C#CC(C)CC(CC)CF;BTVPONXLFOJYSY-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326408;MM326408;C#CC1CC(C)(CF)C1C;HHCFTQPIAWCIDK-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326409;MM326409;C#CC(C)CC(CN)CN;SDVLSQQOACTMAF-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326410;MM326410;C#CC1CC(C)(CC)C1N;IIJMKHKMRUEJTL-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326411;MM326411;C#CC(C)CC(CN)CF;WBUSZACAGHFODS-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326412;MM326412;C#CC1CC(N)(CC)C1C;FKLYJWZMWLHYOD-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326413;MM326413;C#CC(C)CC(CO)CF;CXFXXWGOZAZBRL-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326414;MM326414;C#CC1CC(N)(CN)C1C;PGYOIBVDVJUYNI-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326415;MM326415;C#CC(C)CC(CF)CF;RMWYODMTRTZCDJ-UHFFFAOYSA-N;146.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326416;MM326416;C#CC1CC(N)(CC)C1N;APVIVYYADUBSGM-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326417;MM326417;C#CC(N)CC(CC)CC;ADNXAPJDKNKDFN-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326418;MM326418;C#CC1CC(N)(CF)C1N;CWQMIMKGLPTXBN-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326419;MM326419;C#CC(N)CC(CC)CF;HBYJFERXJCZLKX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326420;MM326420;C#CC1CC(O)(CO)C1C;BNAZLWKECARCPZ-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326421;MM326421;C#CC(N)CC(CN)CO;HISAAASBWAUJPQ-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326422;MM326422;C#CC1CC(C)(NC)C1C;QWNKTWUPOYQADP-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326423;MM326423;C#CC(N)CC(CO)CO;ZZLFGZZGLOKOIJ-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326424;MM326424;C#CC1NC(C)(CC)C1C;BUUNTVBMVSQVDU-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326425;MM326425;C#CC(O)CC(CC)CC;AIPAKBWTNIYMCQ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326426;MM326426;C#CC1NC(C)(CC)C1N;OUQMIDUXMMIDCO-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326427;MM326427;C#CC(O)CC(CC)CF;AWPVLWFKUNQDOV-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326428;MM326428;C#CC1OC(C)(CC)C1C;JZJCRTGUFSQQIN-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326429;MM326429;C#CC(O)CC(CN)CO;KPOQDGUWWDASBF-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326430;MM326430;C#CC1CC(C)(CN)N1C;AKKQSTPCPLSNQK-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326431;MM326431;C#CC(O)CC(CO)CF;ZSWCEJXNOIQLNK-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326432;MM326432;C=CC1(C)CC(CN)C1C;IRHVCNYUFZJNHU-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326433;MM326433;C#CC(F)CC(CC)CC;LWKBJGXWXSSVHF-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326434;MM326434;C#CC(F)CC(CC)CN;LIRCRSYUXOCPEL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326435;MM326435;CCCc1nc(NC)c[nH]1;SCSOIZDKOKBIFM-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326436;MM326436;C=CC1(C)CC(CF)C1C;LCCDEVRJGOKWLO-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326437;MM326437;C#CC(F)CC(CC)CO;LLVGCTUNFIJBKF-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326438;MM326438;CCC1CC(C)(C=O)C1C;OTXDFGGCUDWAIX-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326439;MM326439;C#CC(F)CC(CC)CF;RKRZARPVLGQJOT-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326440;MM326440;CCC1CC(C)(C#N)C1C;FDTVTNRFPNOFSL-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326441;MM326441;C#CC(F)CC(CN)CN;AGXDUXNCXIVKPC-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326442;MM326442;C=Cc1noc(OC)c1N;NEGOAHLJYGPNPP-UHFFFAOYSA-N;140.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326443;MM326443;C#CC(F)CC(CN)CO;FCANZLSBJKQRGM-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326444;MM326444;C=CC1(C)CC(CO)C1N;IEHVYAXXNVAAFZ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326445;MM326445;C#CC(F)CC(CO)CO;BJJCYAMDYVOTKK-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326446;MM326446;C=CC1(N)CC(CC)C1C;QTMQBGGSJCJOSX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326447;MM326447;C#CC(C)CC(CC)NC;CHOLYOMUDLCKLP-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326448;MM326448;C=CC1(N)CC(CO)C1C;LVZKWRWUAJAWOI-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326449;MM326449;C#CC(N)CC(CN)NC;DPSKUIAASPIUMP-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326450;MM326450;C=CC1(N)CC(CF)C1C;FOPHKPUCJFCJJB-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326451;MM326451;C#CC(N)CC(CO)NC;SXXMCACCNBBGRE-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326452;MM326452;C=CC1(N)CC(CO)C1N;BIWTVKHIALABES-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326453;MM326453;C#CC(O)CC(CO)NC;RKJRTDFCDADPSH-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326454;MM326454;C=CC1(O)CC(CN)C1C;XXKVYJCXYDPWOZ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326455;MM326455;C=CC1(O)CC(CF)C1C;OPVDIYGPVIJITI-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326456;MM326456;C#CC(F)CC(CC)NC;KEJLSIHQGMJHIT-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326457;MM326457;C#CC(F)CC(CN)NC;DNGMNTWJYNLADN-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326458;MM326458;C=CC1(O)CC(CN)C1N;IHNIJTJOJBQHED-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326459;MM326459;C#CC(F)CC(CO)NC;KZDSZHPDNSZSRD-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326460;MM326460;C=CC1(F)CC(CC)C1C;GOOXYYOCDNXSKU-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326461;MM326461;C=CC1(C)CC(NC)C1C;LTJNQKXRSHDBTA-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326462;MM326462;C#CC(C)CC(CC)OC;KTDCVSYENZIBOV-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326463;MM326463;CNC1CC(C)(C=O)C1C;DDCDPTQMFJMKJY-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326464;MM326464;C#CC(C)CC(CO)OC;MTFZWIZLUBQUMX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326465;MM326465;C#CC(N)CC(CC)OC;PCHIZZYVOOONEO-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326466;MM326466;CNC1CC(C)(C#N)C1C;SNXDNMALDOFIRF-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326467;MM326467;C#CC(N)CC(CO)OC;QQSMBHVSVLYPBL-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326468;MM326468;C=CC1(O)CC(NC)C1C;QGMPLGMCCUUURV-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326469;MM326469;CNC1CC(O)(C=O)C1C;ZARKBLKWCNRAQC-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326470;MM326470;C#CC(O)CC(CC)OC;DKNXNNVILBCUGS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326471;MM326471;C#CC(O)CC(CN)OC;IMMULWZASKPSGE-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326472;MM326472;CNC1CC(O)(C#N)C1C;QSQOQKUHPZRYTN-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326473;MM326473;C#CC(O)CC(CO)OC;CTAIWFPRCFRYBI-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326474;MM326474;C=CC1(F)CC(NC)C1C;BIZBUOZYUCRTSS-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326475;MM326475;COC1CC(C)(C#N)C1C;HHHNPICFBHVWLS-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326476;MM326476;C#CC(O)CC(CF)OC;MUBZKIBOPIFNRZ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326477;MM326477;C#CC(F)CC(CN)OC;RIQGUBKVUVBSOX-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326478;MM326478;C=CC1(N)CC(OC)C1C;NSVPKAXEIQEDTM-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326480;MM326480;C=CC1(F)CC(OC)C1C;GAXNXNVRHLIVBQ-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326479;MM326479;C#CC(C)CC(OC)OC;AVAVTTAHJYXTDC-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326481;MM326481;C#CC(N)CC(OC)OC;FUOUGZAHJCYWGW-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326482;MM326482;C=CC1(C)NC(CN)C1C;WURXVBOLIABTDZ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326483;MM326483;C#CC(C)NC(CC)CC;YPHZJZSSIOAGCX-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326484;MM326484;C=CC1(C)NC(CF)C1C;CYZYOYGUZDNJMU-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326485;MM326485;C#CC(C)NC(CC)CN;FTGUTRNXXMVZAI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326486;MM326486;CCC1NC(C)(C=O)C1C;NBSOXFZSEFONGS-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326487;MM326487;C#CC1C(C(C)C=O)N1C;NJEMOIBRMHSTIU-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326488;MM326488;C#CC(C)NC(CN)CN;KDZZBZDVXMPOSM-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326489;MM326489;C#CC(C)NC(CN)CF;GMPUCPNJALOYKH-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326490;MM326490;CC1C(CF)NC1(C)C#N;HSLTWJUFKWUWTO-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326491;MM326491;C=CC1(C)NC(CF)C1N;QBHSVKDJCHWWOX-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326492;MM326492;C#CC(C)OC(CC)CC;LQLBMSXPWMXAHW-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326493;MM326493;C=CC1(C)OC(CC)C1C;UQUQXZUUYFLKOV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326494;MM326494;C#CC(C)OC(CC)CO;IGFWBNMYKFZOPQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326495;MM326495;C#CC(C)OC(CC)CF;GCOLJOJZZRZBLA-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326496;MM326496;C=CC1(C)OC(CN)C1C;IOVKQNHQZKFQHE-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326497;MM326497;C=CC1(C)OC(CO)C1C;XZLWOSDWGPGAEU-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326498;MM326498;C#CC(C)OC(CN)CO;YZLOAJWMTKUMKO-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326499;MM326499;CCC1OC(C)(C#N)C1C;IVIHXLZPNQAVML-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326500;MM326500;C#CC(C)OC(CN)CF;LYBHEAQKGIXOIK-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326501;MM326501;CC1C(CF)OC1(C)C#N;FIPUUPJZXIDFAJ-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326502;MM326502;C#CC(C)OC(CO)CO;CYBDLGWTIWDGEO-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326503;MM326503;C#CC(C)OC(CC)OC;UEOGCOARMOWDLE-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326504;MM326504;C=CC1(N)CN(CC)C1C;UAJYHZJWHIIIJP-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326505;MM326505;C=C(CO)C(C)CC;JAZBGTKYGJHMQJ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326506;MM326506;C#CC(C)CN(CC)CC;ZXKZCZUAJSRIGA-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326507;MM326507;C=CC(CC)CC(C)CC;PBUJJKIMHWWVJZ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326508;MM326508;CCN1CC(F)(C#N)C1C;CUPPPPJLWWFTJY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326509;MM326509;C=CC1(C)CC(CC)N1C;XQTVRPVBIHGEJQ-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326510;MM326510;C=CC(CC)CC(C)CN;DESYWABZDIJZKR-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326511;MM326511;C=CC1(C)CC(CN)N1C;PWJGIFXKWWWJGQ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326512;MM326512;CON=C(CF)OCC=O;BZUFLVUCRQWXQE-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326513;MM326513;CCC(C)=C(C)CO;PTJAIRRFUHECDC-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326514;MM326514;C=CC(CC)CC(C)CF;OKTBONOYSKKRDI-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326515;MM326515;C=CC1(C)CC(C#N)C1C;IQWYGEPKZAHQDX-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326516;MM326516;CCC(C)CC(C=O)CC;QSRGAHQDGULVLG-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326517;MM326517;C=CC1CC(C)(C=O)C1C;MJDOPTZVFPNEBV-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326518;MM326518;CCC(C)CC(C#N)CC;GCBYJWOKTYOUDO-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326519;MM326519;CC1C(C=O)CC1(C)C=O;PHOQSZZWMQKYGQ-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326520;MM326520;C=CC(=CC#N)CCCO;YAXYCFFQQCUCQG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326521;MM326521;CC1C(C#N)CC1(C)C=O;BXIZBXUBTMKONU-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326522;MM326522;C=CC(CN)CC(C)CC;QOOOYNLFIGAZDL-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326523;MM326523;CC1C(C#N)CC1(C)C#N;NTVQBLDWNKOSJL-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326524;MM326524;C=CC(CN)CC(C)CO;IKINXICAKSPUKK-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326525;MM326525;CC=C(CO)CCC;GPUORFRXQJMSDV-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326526;MM326526;C=CC(CN)CC(C)CF;CHHFBFXWSXZUMT-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326527;MM326527;C=CC1CC(O)(C=O)C1C;ZYHYXTASGUGRJA-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326528;MM326528;C=CC=C(C=O)CCCO;CRTZCKPBLCXBBU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326529;MM326529;C=CC1CC(O)(C#N)C1C;NMOLWCGLPUTHBZ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326530;MM326530;C=CC(CO)CC(C)CN;BQDPTIREETVESY-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326531;MM326531;CC1C(C=O)CC1(O)C#N;DCXFVZINOCCJEG-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326532;MM326532;CC1C(C#N)CC1(O)C#N;FBMSVCUAGAHKJR-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326533;MM326533;C#CC=C(C=C)CCCO;YAEIJLQVGNBFHR-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326534;MM326534;C=CC1CC(F)(C=C)C1C;VSFIORPXWMLQLD-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326535;MM326535;C=C(C)C(=CF)CCCO;RVOPTRDOBKVQLC-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326536;MM326536;C=CC1(F)CC(C=O)C1C;ZFEUFUQLNQSOAS-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326537;MM326537;CCC(C)CC(C=O)CO;GTKWXCJTCARBRA-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326538;MM326538;CCC(C)CC(C#N)CO;DHFBTZRJZYIVFG-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326539;MM326539;CC1C(C#N)CC1(F)C#N;ZRALAPAKRWEPKN-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326540;MM326540;C=CC1NC(C)(C=C)C1C;OUXUKMMQRSXWSK-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326541;MM326541;CC(CO)CC(C=O)CO;KYCMLXRXTUZWHB-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326542;MM326542;C=CC1(C)NC(C#N)C1C;FFZXVZHSYAWXEE-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326543;MM326543;CC(CO)CC(C#N)CO;BVSUJGPZSVENML-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326544;MM326544;CC1C(C#N)NC1(C)C=O;YCDLAMCNVRAZSQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326545;MM326545;C=CC(CF)CC(C)CC;NSCSVLVYBHBBDF-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326546;MM326546;C=CC(CF)CC(C)CN;OOHRKFOKOXREFM-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326547;MM326547;CC1C(C#N)NC1(C)C#N;XHRFYHLJHASOMS-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326548;MM326548;CC=C(CCCO)C(C)=O;KUGNCTVIYYSOOM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326549;MM326549;C=CC1OC(C)(C=C)C1C;LIUPUWGGBMUIIG-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326550;MM326550;CCC(C)CC(C#N)CF;OHRMOTMGVMHZKB-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326551;MM326551;C=CC1(C)CN(C=N)C1C;HVRDJWNIBIXGRI-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326552;MM326552;C=CC1(C)CN(C=O)C1C;ARHNHKQXSRPQSJ-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326553;MM326553;CC(=O)C(=CN)CCCO;RVUGKNYMJVONFX-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326554;MM326554;CC(CF)CC(C=O)CF;ACXNBPOSMQREGL-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326555;MM326555;CC1N(C=N)CC1(C)C=O;PFGISKRJGHCSFQ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326556;MM326556;CC(CF)CC(C#N)CF;DNVFLQXZZVOMPJ-UHFFFAOYSA-N;147.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326557;MM326557;CC1N(C=N)CC1(C)C#N;MHIYOGOVOZKBDU-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326558;MM326558;C=CC(CC)CC(N)CC;WPGHZOLUTYNQNM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326559;MM326559;CC1N(C=O)CC1(C)C#N;OXIIOGPOANMYGS-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326560;MM326560;C=CC(CC)CC(N)CN;PXBHCZGOIRBBGQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326561;MM326561;C=CC1(N)CN(C=N)C1C;SOJDODBAESZVFR-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326562;MM326562;C=CC(CC)CC(N)CF;HDDGONLYJPEJBN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326563;MM326563;C=CC1(O)CN(C=N)C1C;WHDQVMBYSWTAEL-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326564;MM326564;C=CC(CN)CC(N)CN;UCKDFMASNXWTPP-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326565;MM326565;C=CC1(O)CN(C=O)C1C;CTMGFVPQKDHLRB-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326566;MM326566;C=CC(CN)CC(N)CO;VUOWQBYKHFNFJJ-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326567;MM326567;CC1N(C=N)CC1(O)C=O;LMHWJNVVFYWWPL-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326568;MM326568;C=CC(CN)CC(N)CF;TUKXACJVWYVINH-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326569;MM326569;CC1N(C=O)CC1(O)C=O;HVKPJHSURQOWEC-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326570;MM326570;C=CC(CO)CC(N)CC;YFLWOVVGSOAQAS-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326571;MM326571;C=CC1(C)CN(N=C)C1C;CNGOSHWIQBMJQK-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326572;MM326572;C=CC(CO)CC(N)CO;CQVMBYNWBBVSLR-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326573;MM326573;C=CC1CC(C)(C#N)N1C;POQHXZOGMWYFDK-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326574;MM326574;C=CC(CF)CC(N)CC;JUKOFFSDVZJMKX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326575;MM326575;CCC=C(CC)CO;DABPIXFEYXQAKT-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326576;MM326576;C=CC(CF)CC(N)CN;YAJBYQLVZRKZCE-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326577;MM326577;C#CC(NC)C(F)F;CDBYRWANYQJOAA-UHFFFAOYSA-N;119.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326578;MM326578;CC(C)=C(C=O)CCCO;OVCAJIMJPZBKCV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326579;MM326579;C#CC1CC(C)(C=O)C1C;HBNGOZZRPBJOSO-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326580;MM326580;C=CC(CC)CC(O)CN;NLLMNSWQHXLQNV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326581;MM326581;C=CC(CC)CC(O)CO;HICICHAQRPPUCF-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326582;MM326582;C#CC1CC(C)(C=C)C1N;KQQVYURYZOWPHP-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326583;MM326583;C=CC(CC)CC(O)CF;OSQBPKNPAQGJBL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326584;MM326584;C#CC1CC(C)(C#N)C1O;HHDOJYSBXXQPIV-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326585;MM326585;CCC(O)CC(C=O)CC;NIDVSYWDNWSSBG-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326586;MM326586;C#CC1CC(N)(C=C)C1N;SGDDEWFIJBVZBD-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326587;MM326587;CCC(O)CC(C#N)CC;KQFWAKBKPBRHNB-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326588;MM326588;CC=C(CC)C(N)=O;VAZCHDZAXOUQBU-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326589;MM326589;CCC(C=O)CC(O)CF;FTCOLLPAENHFIJ-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326590;MM326590;C#CC1CC(O)(C#N)C1C;IFWNEGHYLMPJTI-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326591;MM326591;C=CC(CN)CC(O)CC;QHWVEWFYDMBSNX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326592;MM326592;C#CC1CC(O)(C=C)C1N;OSYPLSKWBFJBMM-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326593;MM326593;C=CC(CN)CC(O)CN;QETJDWOZDAXIJQ-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326594;MM326594;C#CC1NC(C)(C=C)C1C;VORZIWCOOQATJQ-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326595;MM326595;C=CC(CN)CC(O)CO;OMIGKUZZMGGAPF-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326596;MM326596;C#CC1OC(C)(C#N)C1C;LAHSBVLKEHNCQY-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326597;MM326597;C=CC(CN)CC(O)CF;CFRQCRPJWRPONM-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326598;MM326598;C#CC1CC(C)(C=O)N1C;JCOJFPJWQVQCAV-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326599;MM326599;C=CC(CO)CC(O)CC;XEBIXXCBIOICIW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326600;MM326600;C#CC1CC(C)(C#N)N1C;UGGGKPYJIDVGNB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326601;MM326601;C=CC(CO)CC(O)CO;XUJORNWUFLJPLZ-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326602;MM326602;C#CC1(C)CC(CC)C1C;WTSNKPHMGLNGJE-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326603;MM326603;CCC(O)CC(C=O)CO;IMQPFWUDXHCEOL-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326604;MM326604;C=C1CC=C(CO)C1;OIGWRXWJMIDKMU-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326605;MM326605;CCC(O)CC(C#N)CO;SNNVQGOZHCQUPN-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326606;MM326606;N#CC(CO)CC(O)CO;UGHSOKPEMOGWER-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326607;MM326607;C#CC1(C)CC(CC)C1N;IVZJFQZPPPJLOZ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326608;MM326608;O=CC(CO)CC(O)CF;JDMMMXFHYNQXDK-UHFFFAOYSA-N;150.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326609;MM326609;C#CC1(C)CC(CF)C1N;GJUAYVKXPATUHJ-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326610;MM326610;N#CC(CO)CC(O)CF;AOLYPCRXUWUGDQ-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326611;MM326611;C#CC1(N)CC(CC)C1C;ZPOBNDLABRGJBI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326612;MM326612;CCC(O)CC(C=O)CF;YQMAFKYQZSPWQB-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326613;MM326613;C#CC1(N)CC(CN)C1C;GPMVQFOBSSSDIQ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326614;MM326614;N#CC(CF)CC(O)CO;QFICRWJXVKADDY-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326615;MM326615;C#CC1(N)CC(CN)C1N;VGTPHHNSZHCWJT-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326616;MM326616;O=CC(CF)CC(O)CF;GOQZDKXPNABPBV-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326617;MM326617;C#CC1(N)CC(CO)C1N;RHRNQVZJRJYDGD-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326618;MM326618;N#CC(CF)CC(O)CF;VSXMAHVZTFLMPI-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326619;MM326619;C#CC1(O)CC(CN)C1C;IHYNNMCVHWRFSE-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326620;MM326620;C=CC(CC)CC(F)CC;OOXFJFKXBFVPIP-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326621;MM326621;C#CC1(O)CC(CN)C1N;DIFHHATVKFWOFI-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326622;MM326622;C=CC(CC)CC(F)CN;CNASPDGBWJBBSB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326623;MM326623;C#CC1(C)CC(NC)C1C;PDFGFQRCJBMNRL-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326624;MM326624;C=CC(CC)CC(F)CO;PJKCAUBYNPFKFY-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326625;MM326625;C#CC1(C)CC(NC)C1N;NXRUALAWTJSMCN-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326626;MM326626;CCC(F)CC(C=O)CC;LVASFCLTFBAJCP-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326627;MM326627;C#CC1(N)CC(NC)C1C;YKTBHWUCILKRME-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326628;MM326628;CCC(F)CC(C#N)CC;UIMNQCSMNREONF-UHFFFAOYSA-N;143.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326629;MM326629;C#CC1(N)CC(NC)C1N;VAQJYXJVEYDZQL-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326630;MM326630;CCC(C=O)CC(F)CO;OCJVRMQOOKPYHE-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326631;MM326631;C#CC1(O)CC(NC)C1C;PBOGTRLSJWQFQA-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326632;MM326632;CCC(C=O)CC(F)CF;DZBJGMBFDMIKCA-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326633;MM326633;C#CC1(C)CC(OC)C1C;FVFYVDVPOWLKFF-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326634;MM326634;CCC(C#N)CC(F)CF;KZKUFRXNAWROBR-UHFFFAOYSA-N;147.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326635;MM326635;C#CC1(N)CC(OC)C1C;LOZXZKRPPVOWAH-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326636;MM326636;C=CC(CN)CC(F)CN;CVCZOSUJDHGZOX-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326637;MM326637;C#CC1(C)NC(CC)C1C;DDOVVOKAEGAISQ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326638;MM326638;C=CC(CN)CC(F)CO;LUYCZJUPSRYWDJ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326639;MM326639;C#CC1(C)NC(CO)C1C;MIZBTXSMPHBHHH-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326640;MM326640;C=CC(CO)CC(F)CC;CFDZXIVYLGZIKS-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326641;MM326641;C#CC1(C)NC(CC)C1N;CTVIGKDAYVIPBS-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326642;MM326642;CCC(F)CC(C#N)CO;WEVDXSONIRKOTI-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326643;MM326643;C#CC1(C)NC(CN)C1N;RWOPSWNQHNQWQH-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326644;MM326644;O=CC(CO)CC(F)CF;QSSYOLPXULZPEA-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326645;MM326645;C#CC1(C)OC(CC)C1C;PPHYTUDNPURYTD-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326646;MM326646;N#CC(CO)CC(F)CF;JKODOPHICNFZPE-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326647;MM326647;C#CC1(C)OC(CN)C1C;PEFRCEGDPZSIIK-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326648;MM326648;C=CC(CF)CC(F)CC;LHSAGXRXBMBOPB-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326649;MM326649;C#CC1(C)OC(CO)C1C;FLJAVYBDZMMXAW-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326650;MM326650;C=CC(CF)CC(F)CO;OJASWGAVAFKFFH-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326651;MM326651;C#CC1(F)CN(CC)C1C;OEQYRWAPLYITFS-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326652;MM326652;C=CC(CF)CC(F)CF;SNCQULMRTPVWHB-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326653;MM326653;C#CC1(C)CC(CC)N1C;HWJDAEGRJKPONJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326654;MM326654;O=CC(CF)CC(F)CF;UOWNBMQPPXEBFX-UHFFFAOYSA-N;154.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326655;MM326655;C#CC1(C)CC(C=C)C1C;YHXFSOWQJKGXSQ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326656;MM326656;C=CC(CC)CC(C)NC;GRIRURFDYNZJMP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326657;MM326657;C#CC1(C)CC(C=O)C1C;MTTCUEYSLLHUOP-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326658;MM326658;CCC(C#N)CC(C)NC;JKVHADYKUGDJJB-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326659;MM326659;C#CC1(C)CC(C#N)C1C;QQVKYLRJILPGOM-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326660;MM326660;CNC(C)CC(C=O)CO;LCKCGIWUXNOZGO-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326661;MM326661;C#CC1(C)CC(C=C)C1N;IEFDZCISBSQPSQ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326662;MM326662;CNC(C)CC(C#N)CO;TTZUYRNTJCCILN-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326663;MM326663;C#CC1(C)CC(C#N)C1O;MPXFUTSYZBDYRW-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326664;MM326664;C=CC(CF)CC(C)NC;YCSKDMDJRGJBQE-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326665;MM326665;C#CC1(N)CC(C=C)C1C;IHJAVEMAGNXNIH-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326666;MM326666;C=CC(CC)CC(C)OC;UBTFBLSNPZKZSR-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326667;MM326667;C#CC1(N)CC(C=C)C1N;BHQXWXMIRATUQF-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326668;MM326668;CCC(C=O)CC(C)OC;BMNIRCSWTJYKHQ-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326669;MM326669;C#CC1(F)CC(C#N)C1C;LLMFSSJPXIUNIM-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326670;MM326670;C=CC(CN)CC(C)OC;LYBPKENDHXYXJD-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326671;MM326671;C#CC1(C)NC(C=C)C1C;SGODCAFOEINVMI-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326672;MM326672;C=CC(CO)CC(C)OC;XNAAEQTYDNSEGB-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326673;MM326673;C#CC1(C)NC(C#N)C1C;UXNKEUBHSGYMNB-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326674;MM326674;COC(C)CC(C=O)CO;VZBZZXWDYDZEDS-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326675;MM326675;C#CC1(C)OC(C#N)C1C;GWWBCPKGNDQCII-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326676;MM326676;C=CC(CF)CC(C)OC;KMOHFHKHNOJVSO-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326677;MM326677;C#CC1(C)CN(C=N)C1C;YNFKSUICQUMWKC-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326678;MM326678;COC(C)CC(C=O)CF;ALIALEOSKZYIAP-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326679;MM326679;C#CC1(C)CN(C=O)C1C;HDOJNOZYSYTFEN-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326680;MM326680;COC(C)CC(C#N)CF;ZNWRBKXWXZVNJW-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326681;MM326681;C#CC1(N)CN(C=N)C1C;FRYWWAJEMWSWDI-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326682;MM326682;C=CC(CC(C)CC)NC;DVZAJWKIMWJXSY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326683;MM326683;C#CC1(C)CN(N=C)C1C;YPFRHHBZRZBIMH-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326684;MM326684;CCC(=CCCCO)CF;CNMFFGLGZFYPQU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326685;MM326685;C=Nn1cc(N)nn1;QJTNCAXYALDOMK-UHFFFAOYSA-N;111.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326686;MM326686;C=CC(CC(N)CN)NC;CMOKNDOLQNLRMX-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326687;MM326687;C#CC1CC(C)(C#C)C1C;LUQKOATUMJGMRH-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326688;MM326688;C=CC(CC(N)CO)NC;HBHJRXKTZPMUIE-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326689;MM326689;C#CC1CC(C)(C#C)C1N;XUAIWEJMSZPYHG-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326690;MM326690;C=CC(CC(O)CC)NC;PNGQUKKGUDWGOK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326691;MM326691;C#CC1CC(N)(C#C)C1C;VNYQHYQSUOQWIN-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326692;MM326692;C=CC(CC(O)CN)NC;XFNQYNONZDAOJD-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326693;MM326693;C#CC1CC(N)(C#C)C1N;MXOINDKEZHCCEM-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326694;MM326694;C=CC(CC(O)CF)NC;MJQNDHWROHEDTF-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326695;MM326695;C#CC1CC(O)(C#C)C1C;YMZJJNSZLIXSSB-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326696;MM326696;C=CC(=CCCCO)CC;FYTRQOWSIWUPDP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326697;MM326697;C#CC1CC(O)(C#C)C1N;KZRIGDJMWZDODM-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326698;MM326698;C=CC(CC(F)CC)NC;AVSADYXTTJDFHD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326699;MM326699;C#CC1NC(C)(C#C)C1N;IEMUFQDGDFNAJN-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326700;MM326700;C=CC(CC(F)CO)NC;JJDMSMGHKAUJFP-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326701;MM326701;C#CC1OC(C)(C#C)C1C;CQCWIDCVXLNQCT-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326702;MM326702;C=CC(CC(F)CF)NC;ASQVNVMWYQMEKV-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326703;MM326703;CCN1CC(C)(CC)C1=O;DNCXDPMBPSOELS-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326704;MM326704;CCC(F)CC(C#N)NC;PROWKZLMKSIUPQ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326705;MM326705;C=CC1CC(C)(CC)C1=O;UQSRYYQULCWPEQ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326706;MM326706;CCC(C#N)=CCCCO;HIPLNJUXZMRBEP-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326707;MM326707;CCC1(C)CC(C#N)C1=O;GSLDDTLJYFVBLB-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326708;MM326708;C=CC(CC(C)NC)NC;LFRLCRVGCMNKMF-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326709;MM326709;CC1(CN)CN(C=N)C1=O;PEYNNSLMGCNXFG-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326710;MM326710;CNC(C)CC(C#N)NC;UMAQPAHMNNHLIH-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326711;MM326711;C=NN1CC(C)(CN)C1=O;ALIRPUNVAYEXDX-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326712;MM326712;C=CC(CC(C)OC)NC;YBGPSGQPSKGCAB-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326713;MM326713;C#CC1CC(C)(CO)C1=O;LZMXXEWFAJOVHL-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326714;MM326714;C=CC(CC(C)CC)OC;CBSSREGMLGNAKO-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326715;MM326715;C#CC1CC(C)(CF)C1=O;JEBISUFOZOVFPW-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326716;MM326716;C=CC(CC(C)CN)OC;ASIPTHLDCRUTPN-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326717;MM326717;CCC1CC(C)(C#N)C1=O;ILTFFCUXJQYTBU-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326718;MM326718;C=CC(CC(C)CO)OC;GKUNKAQDCGBAOJ-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326719;MM326719;CC1(C=O)CC(CO)C1=O;USRZXJAFHBIKHW-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326720;MM326720;C=CC(CC(C)CF)OC;PYXKNUXOXLXOMB-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326721;MM326721;C=CC1CC(C)(C=C)C1=O;HTRKIPPJUJPWHE-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326722;MM326722;CCC(C)CC(C=O)OC;SJHVQWYQAYPPJA-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326723;MM326723;C=CC1(C)CC(C#N)C1=O;XMUROEPATLFQKG-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326724;MM326724;CCC(C)CC(C#N)OC;WVMCMULEGCEURU-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326725;MM326725;C=CC1CC(C)(C=O)C1=O;FKPAZYOCTQWWBR-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326726;MM326726;C=CC(CC(N)CC)OC;HXMGVUZYKAQNIF-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326727;MM326727;C=CC1CC(C)(C#N)C1=O;ROZTYRGGXKEJEW-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326728;MM326728;C=CC(CC(N)CN)OC;XDNDKELXBZPVBI-UHFFFAOYSA-N;144.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326729;MM326729;NN=C(NO)OCC(=O)O;QMCVAKCIUBPRIU-UHFFFAOYSA-N;149.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326730;MM326730;C=CC(CC(O)CC)OC;QJCFPSRXVWWTFQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326731;MM326731;CCOC(=CC(=O)O)NC;LUBJFGJEOFLCEP-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326732;MM326732;C=CC(CC(O)CO)OC;LSZJOYTUSMZGGV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326733;MM326733;C=CC1(C)CN(C=O)C1=O;GPAHSRGZSXNLGM-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326734;MM326734;COC(C#N)CC(O)CO;GFZVPCRENJLGQG-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326735;MM326735;CC1(C#N)CN(C=N)C1=O;NAKFHOREAIGPPE-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326736;MM326736;C=CC(CC(F)CC)OC;JRWVIUGVBKSDCC-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326737;MM326737;CC1(C#N)CN(C=O)C1=O;ZHKIXDZCWNTEEF-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326738;MM326738;C=CC(CC(F)CO)OC;QBPVKJYJKOJOEL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326739;MM326739;C=NN1CC(C)(C#N)C1=O;BZIOUSMQUKTGCW-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326740;MM326740;CCC(F)CC(C#N)OC;KHZHYZXMGXIHGY-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326741;MM326741;COC(C=O)CC(F)CO;WHSJDFGFRDGJMT-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326742;MM326742;C#CC1CC(C)(C#N)C1=O;BQKSIVYYHKTONN-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326743;MM326743;C#CC1NC(C)(C#N)C1=O;XOYGBJXOFCBIKO-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326744;MM326744;COC(C#N)CC(F)CO;VUZBAWDILJMSHF-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326745;MM326745;C#CC1(C)CC(CO)C1=O;ITPFUXNGHYPPNO-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326746;MM326746;COC(C=O)CC(F)CF;HHVULVSLIDOVNI-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326747;MM326747;C=CC(CC(C)OC)OC;VXUCIQIVBUTVLT-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326748;MM326748;C#CC1(O)CC(CC)C1=O;WSFLGSHHRPWCAJ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326749;MM326749;COC(C)CC(C=O)OC;CPIHWTZFVHKTDM-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326750;MM326750;C=C1C=C(CO)CC1;IIJRMZITFQNJAM-UHFFFAOYSA-N;110.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326751;MM326751;COC(C)CC(C#N)OC;IXIFVSIPDVYURD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326752;MM326752;C#CC1(C)CC(C=C)C1=O;UCBDJFSELSSJEJ-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326753;MM326753;C=CC(CC)NC(C)CC;KZKICHYLFOERKH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326754;MM326754;C#CC1(C)CC(C#N)C1=O;IXVOYQJWJCERKF-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326755;MM326755;C=CC(CC)NC(C)CO;RSYCPVIGGKBISA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326756;MM326756;C#CC1(C)NC(C#N)C1=O;YTTSNGPMYSIOSP-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326757;MM326757;C=CC(CC)NC(C)CF;CITGIDBELKUYCM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326758;MM326758;C#CC1(C)CN(C=N)C1=O;TUYWHUDMIVIGJU-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326759;MM326759;CCC(C)NC(C=O)CC;FOMRYVXZJNLGQW-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326760;MM326760;C#CC1(C)CN(C=O)C1=O;CZPYBTYHBKRZOA-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326761;MM326761;CCC(C)NC(C#N)CC;NQYNTCOEOYQSFC-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326762;MM326762;C#CC1(C)CN(N=C)C1=O;BVWMCUUSSROPBQ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326763;MM326763;C=CC(CN)NC(C)CN;HOWIOKAEJYEQPA-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326764;MM326764;C#CC1CC(C)(C#C)C1=O;XQYGVIWCDCUVDO-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326765;MM326765;C=CC(CO)NC(C)CC;RUVFTUQRDLFMEB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326766;MM326766;Nc1cc(C=O)on1;JJKYRYDMIHZMPE-UHFFFAOYSA-N;112.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326767;MM326767;C=CC(CO)NC(C)CN;IPONBWVVWVHMTE-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326768;MM326768;CCC(C)C1CC1(C)CC;JIYWFTYOTOSCRS-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326769;MM326769;C=CC(=CCCCO)CF;WLNKQGXLPMUQPB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326770;MM326770;CCC1(C)CC1C(C)CN;KAALIZAMCKOUTJ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326771;MM326771;C=CC(CF)NC(C)CC;UEUUKHRIQVBBLP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326772;MM326772;CC(C)=CC(C)C(N)=O;PWBPJGIJRIUGLI-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326773;MM326773;C=CC(CF)NC(C)CN;YMNPQSQLNSHJFK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326774;MM326774;CCC1(C)CC1C(C)CF;IGYYYSSFOPOPRJ-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326775;MM326775;C=CC(CC)OC(C)CC;CUDFGCDRTPIJPN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326776;MM326776;CCC(C)C1CC1(C)CN;XVXXPQFHDXXZCW-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326777;MM326777;C=CC(CC)OC(C)CN;ANHFJSJYGLRVOO-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326778;MM326778;C=CC(CC)OC(C)CO;MLYONXJMFXLDFR-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326779;MM326779;CC(CO)C1CC1(C)CN;OWDQPCOCJSRPDO-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326780;MM326780;C=CC(CC)OC(C)CF;IKVQSVCIVZHCQE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326781;MM326781;CC(CF)C1CC1(C)CN;DLPNFYXCDJYQRP-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326782;MM326782;CCC(C)OC(C#N)CC;GZWOOCYNXIROFQ-UHFFFAOYSA-N;141.21;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326783;MM326783;C=CC(C)C=CC(C)O;WEBOGRXSWLJTJR-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326784;MM326784;CCC(C#N)OC(C)CF;DSSORPCNPOTMRN-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326785;MM326785;CC(CN)C1CC1(C)CO;MVPRPUWXXKWLOF-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326786;MM326786;C=CC(CN)OC(C)CC;CAEYCXOWUHSSCI-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326787;MM326787;C=C(CC)C(C)C(N)=O;WYJABLUQFIGFTK-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326788;MM326788;C=CC(CN)OC(C)CF;BUJQRISBVUCMLE-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326789;MM326789;CCC(C)C1CC1(C)CF;ADYYAGYQYIILLS-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326790;MM326790;C=CC(CO)OC(C)CC;BKGZBYGJRPRNEA-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326791;MM326791;CC(CF)C1CC1(C)CF;YBAYVMQMOXWRGM-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326792;MM326792;C=CC(CO)OC(C)CO;JRCXNBBXNHUXDX-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326793;MM326793;CCC(N)C1CC1(C)CC;FQRFHWVQWBUDNB-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326794;MM326794;CCC(C)OC(C#N)CO;SRLVGPMYOXFISE-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326795;MM326795;CCC1(C)CC1C(N)CN;XEVDYZSYKXTQGH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326796;MM326796;CC(CO)OC(C=O)CO;OAKMBOKAJNBYFV-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326797;MM326797;CCC1(C)CC1C(N)CO;VINPFOBTGRXIJS-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326798;MM326798;CC(CO)OC(C#N)CO;UUNJTEMLAGLKHQ-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326799;MM326799;CCC1(C)CC1C(N)CF;KDVMDYFTGPAFOK-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326800;MM326800;CC(CF)OC(C#N)CO;GEGJVQZYSJZXQA-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326801;MM326801;CCC(N)C1CC1(C)CN;JZBTYLOWGWLWOT-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326802;MM326802;C=CC(CF)OC(C)CC;CTICCKAWNZNPQE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326803;MM326803;CC1(CN)CC1C(N)CF;ZVQTUKADJSZGIA-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326804;MM326804;C=CC(CF)OC(C)CO;OFACHGHVCSLXBB-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326805;MM326805;CCC(N)C1CC1(C)CO;VYWOANMOTIZGBX-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326806;MM326806;CCC(C)OC(C#N)CF;QLUNUSMYRDWKKY-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326807;MM326807;CC1(CO)CC1C(N)CN;SJTYXDDYPQDDHG-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326808;MM326808;CC(CO)OC(C#N)CF;IADDTEUKUBHBOM-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326809;MM326809;CC1(CO)CC1C(N)CO;HQHGUFQJWLQXNC-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326810;MM326810;C=CC(CC)OC(C)OC;JQGAPBLGJZTJDM-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326811;MM326811;CC1(CO)CC1C(N)CF;QHOWIOOOEPJXMP-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326812;MM326812;C=CC(CN)OC(C)OC;VGVVATUOIUEOFA-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326813;MM326813;CCC(N)C1CC1(C)CF;NCTSCVRRWWNJRY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326814;MM326814;COC(C)OC(C=O)CO;VWUXZZOYKXBQTN-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326815;MM326815;CC=C(C)C(C)C(N)=O;TVPBHPWIHSKOBW-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326816;MM326816;C=CC(CF)OC(C)OC;KVGCBPJEDDSFRW-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326817;MM326817;CCC1(C)CC1C(O)CN;MYLOIMGMRUFXNE-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326818;MM326818;C=CC(OC)OC(C)CC;FTAXHFDIASSKTG-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326819;MM326819;CCC1(C)CC1C(O)CO;ZDARGCVEPBAYAL-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326820;MM326820;C=CC(OC)OC(C)CF;MPDKLNHUETUOIW-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326821;MM326821;CCC(C)OC(C=O)OC;ICHVHQLQRHESBX-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326822;MM326822;CCC1(C)CC1C(O)CF;SSQGLDPVIRYFHL-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326823;MM326823;COC(C=O)OC(C)CO;HGFWJCUVDYHMLF-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326824;MM326824;CCC(O)C1CC1(C)CN;WIBZRZOPWVULRY-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326825;MM326825;COC(C)OC(C=O)OC;YSJQZKJSUDRBOT-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326826;MM326826;CC1(CN)CC1C(O)CO;ZTLULNDTHYGJDT-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326827;MM326827;C=CC(CC)CN(C)CC;ZQILBTRDNFMRQE-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326828;MM326828;CCC(O)C1CC1(C)CO;OKZNNFALCMRYMI-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326829;MM326829;CCC(C=O)CN(C)CC;KRRWOLQOCRDYCW-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326830;MM326830;CCC(O)C1CC1(C)CF;JXOWFPAOLNYXGH-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326831;MM326831;C=CC(CO)CN(C)CC;ICMVTXIEXQUFJF-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326832;MM326832;CC1(CF)CC1C(O)CN;QSVXTJOSTGSARZ-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326833;MM326833;CCN(C)CC(C=O)CO;WEISKPLIPVHMIF-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326834;MM326834;CC1(CF)CC1C(O)CO;RJQQUHTZIFUQKD-UHFFFAOYSA-N;148.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326835;MM326835;C=CC(CF)CN(C)CC;SVFSDVLPVZLTBH-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326836;MM326836;CCC(F)C1CC1(C)CC;OSTSPQZRFMKNAN-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326837;MM326837;C=CC(CN(C)CC)NC;RPXPVIAVOJDBJR-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326838;MM326838;CCC1(C)CC1C(F)CN;GKELAYHERFVWSW-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326839;MM326839;C=CC(CN(C)CC)OC;FKGQDAQFJUZTNL-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326840;MM326840;CCC1(C)CC1C(F)CO;GCLFHSAWPHCJKB-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326841;MM326841;CCC(C)CN(C=N)CC;NYGOWPHVPFMUOG-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326842;MM326842;CCC1(C)CC1C(F)CF;CEGNUZGAXCDZOZ-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326843;MM326843;CCC(C)CN(C=O)CC;NUYQBKHYMSITQW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326844;MM326844;CC1(CN)CC1C(F)CN;RPUXBLMUYVVSFM-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326845;MM326845;CCN(C=O)CC(C)CF;NZMOPJROIPLCJP-UHFFFAOYSA-N;147.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326846;MM326846;CC1(CN)CC1C(F)CO;KMEXLRNBEAYHHU-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326847;MM326847;CCN(C=N)CC(N)CN;SUKMJVWQVFDSJM-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326848;MM326848;CC1(CN)CC1C(F)CF;WEINZNWJRATNGD-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326849;MM326849;CCN(C=N)CC(N)CO;SMZDJWFGBRTHQR-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326850;MM326850;CC1(CO)CC1C(F)CN;QCSOFFDMFBPYKY-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326851;MM326851;CCN(C=N)CC(N)CF;MRBKLYCVYBSFCS-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326852;MM326852;CC1(CO)CC1C(F)CO;UIEOIOCQILDKEK-UHFFFAOYSA-N;148.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326853;MM326853;CCN(C=O)CC(N)CN;WRQLKYIKQWYSMK-UHFFFAOYSA-N;145.21;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326854;MM326854;CC1(CO)CC1C(F)CF;GWSRPWTZPTVTTE-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326855;MM326855;CCN(C=O)CC(N)CO;QKCHBACVPHJVSM-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326856;MM326856;CC1(CF)CC1C(F)CN;ADGSYMYDYCZZIZ-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326857;MM326857;CCN(C=N)CC(O)CN;WHANZZHEXIGMAA-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326858;MM326858;CC1(CF)CC1C(F)CO;IDGLXRZELRJTPF-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326859;MM326859;CCN(C=N)CC(O)CO;CMHKYSUZTXEBCT-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326860;MM326860;CC1(CF)CC1C(F)CF;XJXPLDNPVNDBGV-UHFFFAOYSA-N;152.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326861;MM326861;CCN(C=N)CC(O)CF;ASLDEOLBRYFYIN-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326862;MM326862;CCC(C)C1CC1(N)CC;FPDNSRXPWKFGLR-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326863;MM326863;CCN(C=O)CC(O)CN;SLCROCJZMHNDHW-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326864;MM326864;CCC1(N)CC1C(C)CN;OWVZCJXSNDVNQT-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326865;MM326865;CCN(C=O)CC(O)CO;SDLOQKCDBDWZBM-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326866;MM326866;CCC1(N)CC1C(C)CO;CGEKAJXSCUOIBG-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326867;MM326867;CCN(C=N)CC(F)CN;DXUGRPBUHUYODI-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326868;MM326868;CCC1(N)CC1C(C)CF;JXVDEFOTBPBLFW-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326869;MM326869;CCN(C=N)CC(F)CO;VYECEBNUPRSCQV-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326870;MM326870;CCC(C)C1CC1(N)CN;NLXHHSWPPYVFRW-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326871;MM326871;CCC(F)CN(C=O)CC;LHLYNDVDLZRQEA-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326872;MM326872;CC(CN)C1CC1(N)CN;KJRXUFBTAWHUIQ-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326873;MM326873;CCN(C=O)CC(F)CN;RUYONSXSGRDALX-UHFFFAOYSA-N;148.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326874;MM326874;CC(CO)C1CC1(N)CN;KEDWSSLEFCYXDM-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326875;MM326875;C=NN(CC)CC(C)CC;FYJSLYKTTUTOCF-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326876;MM326876;CCC(C)C1CC1(N)CO;HWJOJCFSBDBXAH-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326877;MM326877;C=NN(CC)CC(C)CF;PIPRPUWXXMQING-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326878;MM326878;CC(CO)C1CC1(N)CO;SBISGRYAKZGXRG-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326879;MM326879;C=NN(CC)CC(N)CO;IUALJYIZERQGBZ-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326880;MM326880;CCC(C)C1CC1(N)CF;CYTYRMVOXNSAQH-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326881;MM326881;C=NN(CC)CC(F)CC;NRFNNIAWQBXTJL-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326882;MM326882;CCC(N)C1CC1(N)CC;ZYTVYEVTKNDQOM-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326883;MM326883;CNN(C=N)CC(C)CN;IDLZSCLLGPYOND-UHFFFAOYSA-N;144.22;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326884;MM326884;CCC1(N)CC1C(N)CN;YPDWSRKTTFXYSL-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326885;MM326885;CNN(C=N)CC(C)CO;RKOWYPREYMPHQA-UHFFFAOYSA-N;145.21;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326886;MM326886;CCC1(N)CC1C(N)CO;RNZSCPUONHFCQG-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326887;MM326887;CCC(C)CN(C=O)NC;KJYWLBYHMOIPOW-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326888;MM326888;CCC1(N)CC1C(N)CF;FFLFGJOCRXMINS-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326889;MM326889;CNN(C=O)CC(C)CN;OJYBLXKZVVILML-UHFFFAOYSA-N;145.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326890;MM326890;CCC(N)C1CC1(N)CN;FSHAGSJXLHDPCQ-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326891;MM326891;N#CC(=CCCCO)CF;IFVXHOYTYWCIBZ-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326892;MM326892;NCC(N)C1CC1(N)CN;WOHVOMHZHIWKQX-UHFFFAOYSA-N;144.22;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326893;MM326893;CCC(N)CN(C=N)NC;MXSZGFGUHRFIIQ-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326894;MM326894;NCC1(N)CC1C(N)CO;WMWMWCOUIDHDFZ-UHFFFAOYSA-N;145.21;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326895;MM326895;CNN(C=N)CC(N)CN;JYMFHDZIEORHCF-UHFFFAOYSA-N;145.21;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326896;MM326896;CCC(N)C1CC1(N)CO;HLZNRFRICRWGJK-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326897;MM326897;CNN(C=N)CC(N)CO;UDONJFQWUOATKK-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326898;MM326898;NCC(N)C1CC1(N)CF;VNXCWYCJSATWMR-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326899;MM326899;CNN(C=N)CC(N)CF;JWLWTKIZOGYOFG-UHFFFAOYSA-N;148.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326900;MM326900;CCC(O)C1CC1(N)CC;NTUAWPVOYQMGGA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326901;MM326901;CCC(N)CN(C=O)NC;NOLKYPAXMYYQJW-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326902;MM326902;CNN(C=O)CC(N)CN;VLGJXHRFVWATHU-UHFFFAOYSA-N;146.19;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326903;MM326903;CCC1(N)CC1C(O)CN;DGCOEXFFYYZASQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326904;MM326904;CCC1(N)CC1C(O)CO;VDPQSHBAUZEREV-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326905;MM326905;CNN(C=O)CC(N)CO;XZLHDRPUYUTTTI-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326906;MM326906;CCC1(N)CC1C(O)CF;CMBWOGFCZCFCKG-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326907;MM326907;CCC(O)CN(C=N)NC;ZJMXQRLVHISJPC-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326908;MM326908;CCC(O)C1CC1(N)CN;KIAGQEFVMFORPS-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326909;MM326909;CNN(C=N)CC(O)CN;PACYQZRAKCUCOC-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326910;MM326910;NCC(O)C1CC1(N)CN;SIDJHYMOUKITAR-UHFFFAOYSA-N;145.21;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326911;MM326911;CNN(C=N)CC(O)CO;PWRIRFBFAKVKKH-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326912;MM326912;NCC1(N)CC1C(O)CO;REJFALMPINIZFJ-UHFFFAOYSA-N;146.19;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326913;MM326913;C=CC(=CCCCO)OC;BGVWEQPJVOANCC-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326914;MM326914;NCC1(N)CC1C(O)CF;UJKNCQMZKYULSQ-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326915;MM326915;CNN(C=O)CC(O)CN;PZRJPXUEIKMQDD-UHFFFAOYSA-N;147.18;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326916;MM326916;CCC(O)C1CC1(N)CO;QUIYCTIPTROZSW-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326917;MM326917;CNN(C=N)CC(F)CF;QJLRABQKYLHWST-UHFFFAOYSA-N;151.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326918;MM326918;NCC(O)C1CC1(N)CO;ZBHUEFUGOJRIMQ-UHFFFAOYSA-N;146.19;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326919;MM326919;CNC(C)CN(C=N)NC;DUIIXUXHEZFTNZ-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326920;MM326920;NC1(CO)CC1C(O)CO;ZPMGBSFGUKRDQF-UHFFFAOYSA-N;147.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326921;MM326921;CNC(C)CN(C=O)NC;FFAHZMPQTVDSGK-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326922;MM326922;NC1(CO)CC1C(O)CF;WWRBMRLYLZJJRO-UHFFFAOYSA-N;149.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326923;MM326923;CNN(C=N)CC(C)OC;JJDKMEVVNMUYJN-UHFFFAOYSA-N;145.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326924;MM326924;NCC(O)C1CC1(N)CF;JDCXUTNGLJJNGU-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326925;MM326925;CCC(N)CN(C=N)OC;YRYPMHROLYAGBJ-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326926;MM326926;CCC(F)C1CC1(N)CC;LPJYGYKBTWBVLK-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326927;MM326927;CCC1(N)CC1C(F)CN;DXJSIDZVWVTYEQ-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326928;MM326928;CON(C=N)CC(N)CN;LFZVKBWITWFORD-UHFFFAOYSA-N;146.19;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326929;MM326929;CCC1(N)CC1C(F)CO;LAUWCCSJTQJGSO-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326930;MM326930;CCC(N)CN(C=O)OC;PFHBWKVPNRIIHE-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326931;MM326931;NCC(F)C1CC1(N)CN;VIYDTTAUNHVBTI-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326932;MM326932;CON(C=O)CC(N)CN;IWKQYCRDZNUTBS-UHFFFAOYSA-N;147.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326933;MM326933;NCC1(N)CC1C(F)CF;FQSYVESIAXFZCX-UHFFFAOYSA-N;150.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326934;MM326934;CCC(O)CN(C=O)OC;KUGGOOMONLMRJM-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326935;MM326935;NCC(F)C1CC1(N)CO;VUNMJSREOPIKNP-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326936;MM326936;CON(C=O)CC(O)CN;HTMKLJVZPXXJGG-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326937;MM326937;NC1(CO)CC1C(F)CO;GICUHHQBCPCBJA-UHFFFAOYSA-N;149.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326938;MM326938;CON(C=O)CC(O)CO;KBLVOHRHTVSWLG-UHFFFAOYSA-N;149.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326939;MM326939;NC1(CO)CC1C(F)CF;XOPDEIBWIBVBLY-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326940;MM326940;CON(C=O)CC(O)CF;QQPQRRNHXLNBTO-UHFFFAOYSA-N;151.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326941;MM326941;CCC(F)C1CC1(N)CF;JLXZVJUAUNVONY-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326942;MM326942;CON(C=O)CC(F)CF;KYQUOQXZRDDKCF-UHFFFAOYSA-N;153.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326943;MM326943;CCC=CC(C)C(N)=O;SHFPJAHOXODSEA-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326944;MM326944;CNC(C)CN(C=O)OC;ASAGCHHSMDHFOJ-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326945;MM326945;CCC1(O)CC1C(C)CN;WSJBWOWVFDDFSV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326946;MM326946;CCN(C=N)NC(C)CF;NFAFZRYISDUDPQ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326947;MM326947;CCC1(O)CC1C(C)CO;QEZOBJDIGJEMNM-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326948;MM326948;CCC(C)ON(C=N)CC;OWQXNQASZDNFQP-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326949;MM326949;CCC1(O)CC1C(C)CF;HKYZZEPBYBZECM-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326950;MM326950;CCN(C=N)OC(C)CN;QIGWWGHTPROEGX-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326951;MM326951;CCC(C)C1CC1(O)CN;USZJOCPOGCGZKM-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326952;MM326952;CCC(C)ON(C=O)CC;DYJONWWAHRFPAA-UHFFFAOYSA-N;145.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326953;MM326953;CC(CN)C1CC1(O)CN;FMEHGYRIIPVEOA-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326954;MM326954;CCN(C=O)OC(C)CO;LLRCIXOYRRERSH-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326955;MM326955;CC(CO)C1CC1(O)CN;ITLIUTOTMWVESZ-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326956;MM326956;C=CC(C)CC(C=C)CC;UJNBWIJEVFJVLR-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326957;MM326957;CCC(C)C1CC1(O)CO;UTVFLMSVRQAZLO-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326958;MM326958;C=CC(CC)CC(C)C=O;BNPVOGDVUWKZIH-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326959;MM326959;CC(CN)C1CC1(O)CO;ZNPPWIFLJVBBNI-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326960;MM326960;C=CC(CC)CC(C)C#N;XZTPBKYNBGGOQA-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326961;MM326961;CC(CO)C1CC1(O)CO;VEBPEQKKBVGPLZ-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326962;MM326962;C=CC(C)CC(C=O)CC;LXWCIUJUAFHKRM-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326963;MM326963;CCC(C)C1CC1(O)CF;HYLKJASLVNBJCI-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326964;MM326964;CCC(C=O)CC(C)C=O;XTWVWPJMLACBIX-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326965;MM326965;CCC(N)C1CC1(O)CC;RURISTWNENQYHA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326966;MM326966;CCC(C#N)CC(C)C=O;JJTMTXPVOWCSRK-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326967;MM326967;CCC1(O)CC1C(N)CN;RSGZBNKXCRPJPL-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326968;MM326968;C=CC(C)CC(C=C)CN;MZXGWEHTODQSBE-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326969;MM326969;CCC1(O)CC1C(N)CF;IGOFGWBODBMWMQ-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326970;MM326970;COC(C#N)=CCCCO;BJIKOZPTMOCTIU-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326971;MM326971;CCC(N)C1CC1(O)CN;KHWYTQBJZLTUTF-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326972;MM326972;C#CC(=CCCCO)CC;DNQKGLFXAGZVOP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326973;MM326973;NCC(N)C1CC1(O)CN;GFGXIGIXMJSTNK-UHFFFAOYSA-N;145.21;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326974;MM326974;CC(C#N)CC(C=O)CO;SBVUYBNKRGQCON-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326975;MM326975;NCC1(O)CC1C(N)CO;UCZCYXKFNYNVNP-UHFFFAOYSA-N;146.19;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326976;MM326976;C=CC(C)CC(C=C)CF;KHTJEQZNZHWSET-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326977;MM326977;C=CC(CF)CC(C)C=O;AUPDSOBWPXWUEI-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326978;MM326978;NCC1(O)CC1C(N)CF;UWJZWAOTVIHPIV-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326979;MM326979;C=CC(C)CC(C=O)CF;DVRAIDATSRPGSB-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326980;MM326980;CCC(N)C1CC1(O)CO;WOABTWJMOXVROQ-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326981;MM326981;CC(C=O)CC(C#N)CF;VCWXHRCYXKJGTK-UHFFFAOYSA-N;143.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326982;MM326982;NCC(N)C1CC1(O)CO;XYKQPUQFDKBNGI-UHFFFAOYSA-N;146.19;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326983;MM326983;C=CC(N)CC(C=C)CC;KRYOXNDYWAFFBM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326984;MM326984;NC(CO)C1CC1(O)CO;OUOCCGURIYMELS-UHFFFAOYSA-N;147.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326985;MM326985;C=CC(N)CC(C=C)CN;UZTXOODJEAESAI-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326986;MM326986;CCC(N)C1CC1(O)CF;JUULDBVQPWWDFZ-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326987;MM326987;C=CC(N)CC(C=C)CF;KLMUSQWGQVZRDY-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326988;MM326988;NCC(N)C1CC1(O)CF;TXIWKHZOKOYYDZ-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326989;MM326989;C#CC(=CCCCO)CF;NMTUXCCGQJQODJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326990;MM326990;CCC(O)C1CC1(O)CC;OYDIVHONIPNEFT-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326991;MM326991;C=CC(CC)CC(O)C#N;WZEFWBMRLNHSNX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326992;MM326992;CCC1(O)CC1C(O)CN;AKTARHZPTRIMLM-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326993;MM326993;C=CC(O)CC(C#N)CC;UVLNVGFUPLJXPC-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326994;MM326994;CCC1(O)CC1C(O)CO;ZXWKXNXIWLZZDK-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326995;MM326995;CCC(C#N)CC(O)C=O;MTHHNIQEGRMVSI-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326996;MM326996;CCC1(O)CC1C(O)CF;YPWYZKAAAXXVPX-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326997;MM326997;C=CC(CO)CC(O)C#N;YCWSRYMIRZPTLE-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326998;MM326998;CCC(O)C1CC1(O)CN;QCXTVNJGKFYQFG-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM326999;MM326999;C=CC(O)CC(C#N)CO;KELUYJALECWLCF-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327000;MM327000;NCC(O)C1CC1(O)CN;WHTOETXYISMGJK-UHFFFAOYSA-N;146.19;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327001;MM327001;O=CC(O)CC(C=O)CO;WLDAHZNKMWIPRX-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327002;MM327002;NCC(O)C1CC1(O)CO;AKESIYKXWXZTCC-UHFFFAOYSA-N;147.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327003;MM327003;N#CC(O)CC(C=O)CO;AFQKASVKYMZZMY-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327004;MM327004;OCC(O)C1CC1(O)CO;BAHMNOVEKIQHPQ-UHFFFAOYSA-N;148.16;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327005;MM327005;N#CC(CO)CC(O)C=O;DFKICLKDZIPYSF-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327006;MM327006;NCC(O)C1CC1(O)CF;GSRAOSQLKVWFHA-UHFFFAOYSA-N;149.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327007;MM327007;N#CC(O)CC(C#N)CO;HULPDQKAISIOQI-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327008;MM327008;C=CC(O)CC(C=C)CF;YSSFGSWVDFGUNE-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327009;MM327009;CCC1(O)CC1C(F)CO;ZXQZTRJTXGHWTI-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327010;MM327010;C=CC(CF)CC(O)C#N;WUCFQNAORSCLDR-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327011;MM327011;CCC1(O)CC1C(F)CF;OPJTWJJWRKPZCT-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327012;MM327012;N#CC(CF)CC(O)C=O;QRLDNJWPYAHDHB-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327013;MM327013;CCC(F)C1CC1(O)CN;POZMDGHYNCKWKV-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327014;MM327014;N#CC(O)CC(C#N)CF;GEUVFQKZUROQRF-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327015;MM327015;NCC1(O)CC1C(F)CF;BPORRZCDZBCQSB-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327016;MM327016;C=CC(F)CC(C=C)CC;PEKLBZSQHIQFDQ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327017;MM327017;CCC(F)C1CC1(O)CF;WIPNDBRVOQLHEE-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327018;MM327018;C=CC(CC)CC(F)C=O;NEYCNBOLPZCPKV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327019;MM327019;CCC(C)C1CC1(F)CC;UEGSVASUUIICOH-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327020;MM327020;C=CC(CC)CC(F)C#N;DRBJSJQGKVCKCB-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327021;MM327021;CCC1(F)CC1C(C)CO;XRJUWZPNRQVMDW-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327022;MM327022;C=CC(F)CC(C#N)CC;KIFCZXHSLHYGIP-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327023;MM327023;CCC1(F)CC1C(C)CF;ZGFBLSSOVMLKKZ-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327024;MM327024;CCC(C=O)CC(F)C#N;MVYDSSJGXRKCBH-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327025;MM327025;CCC(C)C1CC1(F)CN;ZWFSUCTUJFGIAN-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327026;MM327026;C=CC(F)CC(C=C)CN;NJCCTPYPFIRLDK-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327027;MM327027;CC(CN)C1CC1(F)CN;HOECHBQBXSCYJZ-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327028;MM327028;C=CC(F)CC(C=C)CO;BXWNTVFIHPXRLJ-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327029;MM327029;CCC(C)C1CC1(F)CO;OALVXLFVINOGJF-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327030;MM327030;C=CC(CO)CC(F)C#N;BKSLCTPKYYJPQP-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327031;MM327031;CC(CN)C1CC1(F)CO;KLSWZOCECBCREG-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327032;MM327032;O=CC(F)CC(C=O)CO;VKPZOPPMJXLPQS-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327033;MM327033;CC(CF)C1CC1(F)CO;OKAOVKIGZAUKGQ-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327034;MM327034;N#CC(F)CC(C=O)CO;PPYFEXGBUCRMJY-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327035;MM327035;N#CC(F)CC(C#N)CO;XSTLCSNJXFBEST-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327036;MM327036;CC(CO)C1CC1(F)CF;LSWSDHTYAKVYAF-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327037;MM327037;C=CC(F)CC(C=C)CF;YXXSNNJEGHPHHD-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327038;MM327038;CC(CF)C1CC1(F)CF;CGRBPJFAYAVUAG-UHFFFAOYSA-N;152.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327039;MM327039;C=CC(CF)CC(F)C#N;HFXASDCAAGHVME-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327040;MM327040;CCC(N)C1CC1(F)CC;ZLCHCJDPMUZIKF-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327041;MM327041;C=CC(C)CC(C#N)NC;GZSXQVQTHZKTRW-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327042;MM327042;CCC1(F)CC1C(N)CN;FMRGWXWOZWOTLY-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327043;MM327043;CNC(C=O)CC(C)C=O;BFHNCNIWIOSLIQ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327044;MM327044;CCC1(F)CC1C(N)CO;VTWCLSVRPJWNCY-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327045;MM327045;C=CC(CC(O)C#N)NC;RGYHHYSZWUDQIM-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327046;MM327046;CCC1(F)CC1C(N)CF;LZOIXXARZRTVKX-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327047;MM327047;C#CC(=CCCCO)OC;PVIGOUJMOMCTFV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327048;MM327048;CCC(N)C1CC1(F)CN;CBSMJZYMHNUETP-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327049;MM327049;C=CC(C=C)=CCCCO;TYBPTANPRYMIEJ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327050;MM327050;NCC(N)C1CC1(F)CN;VQTQUYJTEWBMDC-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327051;MM327051;CNC(C#N)CC(F)C#N;SOVJQFHWSSIVLC-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327052;MM327052;NCC1(F)CC1C(N)CO;MVDXKNSYDXOPGC-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327053;MM327053;C=CC(C)CC(C=C)OC;UMNMLYITRNVLNH-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327054;MM327054;CCC(N)C1CC1(F)CO;KINPXBGMNFJHOW-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327055;MM327055;C=CC(CC(C)C=O)OC;RGJOLFOEUDOMHZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327056;MM327056;NCC(N)C1CC1(F)CO;DIWZFDNAJAVIKH-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327057;MM327057;C=CC(C)CC(C#N)OC;LNMYPDUPDNKRJO-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327058;MM327058;NC(CO)C1CC1(F)CO;PWGNYKJKPDKLCT-UHFFFAOYSA-N;149.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327059;MM327059;COC(C=O)CC(C)C#N;FDMNGUAODDQADC-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327060;MM327060;CCC(N)C1CC1(F)CF;NUDMWQZXSRXWAO-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327061;MM327061;COC(C#N)CC(C)C#N;YSSZJIQFNLAAGS-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327062;MM327062;NCC(N)C1CC1(F)CF;DEBHKTQCTKXMIR-UHFFFAOYSA-N;150.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327063;MM327063;C=CC(O)CC(C=O)OC;COQQAFRDIRDMLD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327064;MM327064;NC(CO)C1CC1(F)CF;FAMGOKOJYFQZHP-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327065;MM327065;COC(C=O)CC(O)C#N;VRNNYVJMTGQZOR-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327066;MM327066;COC(C#N)CC(O)C=O;DIRTYCLKLISUEI-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327067;MM327067;CCC(O)C1CC1(F)CC;VKJZHOOMDOIQEV-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327068;MM327068;C=CC(F)CC(C=C)OC;XLKHCDMWVAGXKE-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327069;MM327069;CCC1(F)CC1C(O)CN;BTWMHQFPGLXWBU-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327070;MM327070;C=CC(CC(F)C#N)OC;KYECXPANFKIYHU-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327071;MM327071;CCC1(F)CC1C(O)CF;SXZYMHZEVNZEHU-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327072;MM327072;C=CC(F)CC(C#N)OC;CXGCWPKKXHPMEN-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327073;MM327073;CCC(O)C1CC1(F)CN;WREJTWHHFHWCFO-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327074;MM327074;COC(C#N)CC(F)C#N;UNBODFYNRCKOJT-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327075;MM327075;NCC(O)C1CC1(F)CN;ATXCAHWBRAFEGO-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327076;MM327076;C=CC(C)NC(C=C)CC;XJNISXFPVQLMLI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327077;MM327077;CCC(O)C1CC1(F)CO;KPVORHCCKVEIKA-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327078;MM327078;C=CC(C)NC(C#N)CC;GKHFYOYQXWKHKF-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327079;MM327079;NCC(O)C1CC1(F)CO;ZHHXEJPQEAWTBA-UHFFFAOYSA-N;149.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327080;MM327080;C=CC(C)NC(C=C)CN;CPCUJFPDQSRNOV-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327081;MM327081;CCC(O)C1CC1(F)CF;LQSCWJVZNHQYKC-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327082;MM327082;C=CC(C)NC(C=C)CO;WESIXEFODTUSDC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327083;MM327083;NCC(O)C1CC1(F)CF;GQFXXUGSONEJKT-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327084;MM327084;C=CC(C=O)=CCCCO;LKZTUIZHHXBDBA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327085;MM327085;CCC(F)C1CC1(F)CC;COUINFNJPNKLTM-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327086;MM327086;C=CC(C#N)=CCCCO;VOMULNSCQHIALY-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327087;MM327087;CCC1(F)CC1C(F)CF;RPRZXDOREMHRMG-UHFFFAOYSA-N;152.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327088;MM327088;C#CC(C=C)=CCCCO;CMBWPTBBURMLEY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327089;MM327089;CCC(F)C1CC1(F)CN;XGHUQEIEJSVHNE-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327090;MM327090;C#CC(C#N)=CCCCO;HYVVFUCMHQACBB-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327091;MM327091;NCC(F)C1CC1(F)CN;OFTUDQYWYFTGDF-UHFFFAOYSA-N;150.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327092;MM327092;C=CC(C)OC(C=C)CC;KJXZDKLKYJXCPB-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327093;MM327093;NCC1(F)CC1C(F)CO;ZCUAHAZJMLLIHV-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327094;MM327094;C=CC(CC)OC(C)C=O;RSIMMTZVBHQIRP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327095;MM327095;CCC(F)C1CC1(F)CO;HCBQSDABVUWDQA-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327096;MM327096;C=CC(CC)OC(C)C#N;FOGAYTDZLZVPNV-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327097;MM327097;NCC(F)C1CC1(F)CO;UPPHMLFMTCFGNT-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327098;MM327098;C=CC(C)OC(C=O)CC;ZRWQCBSBYQHTLK-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327099;MM327099;OCC(F)C1CC1(F)CO;WSZYRAKSYTYIEA-UHFFFAOYSA-N;152.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327100;MM327100;C=CC(C)OC(C#N)CC;IHQZCMNWZYXOSY-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327101;MM327101;CCC(F)C1CC1(F)CF;QSUGVRYSYFQPPL-UHFFFAOYSA-N;152.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327102;MM327102;CCC(C=O)OC(C)C#N;WWDSTNHOLZTMHI-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327103;MM327103;CCC1(C)CC1C(C)NC;JSBCUWCETAKOEN-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327104;MM327104;C=CC(C)OC(C=C)CN;PHFCQGBAJPFHMR-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327105;MM327105;CNC(C)C1CC1(C)CN;XYCQKSRENQCOKD-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327106;MM327106;C=CC(C)OC(C=C)CO;LAETYLASMXIFNB-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327107;MM327107;CNC(C)C1CC1(C)CO;QQMMBXWQWIVPDR-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327108;MM327108;C=CC(CO)OC(C)C=O;BNNRQRZRNYUJJP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327109;MM327109;CCC1(N)CC1C(C)NC;FQMTYJLGPNOONM-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327110;MM327110;C=CC(CO)OC(C)C#N;NSPPBZMVNGRRSF-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327111;MM327111;CNC(C)C1CC1(N)CF;KLMRMPQSHAVAMS-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327112;MM327112;C=CC(C)OC(C=O)CO;OANTXARQIPCFMT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327113;MM327113;CCC1(O)CC1C(C)NC;RMIZEFXIFPKVES-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327114;MM327114;C=CC(C)OC(C#N)CO;NWXFWOCTMFGBCX-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327115;MM327115;CNC(C)C1CC1(O)CF;SLBUXWZUQOJYCP-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327116;MM327116;C=CC(C)OC(C=C)CF;XEAGUXWJZBMECD-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327117;MM327117;CCC1(F)CC1C(C)NC;YZYVHVADKKGNSE-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327118;MM327118;C=CC(C)OC(C#N)CF;ZIPKTFYMLMYTSO-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327119;MM327119;CNC(C)C1CC1(F)CN;MGHPQRYSIPOGRH-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327120;MM327120;C=CC(C)OC(C=O)OC;UXTOSYKNDUFRBL-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327121;MM327121;CNC(C)C1CC1(F)CO;JAOQSBSKSUUKRI-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327122;MM327122;C=CC(CC)CN(C)C=N;DXKFCVYNGHBPBE-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327123;MM327123;C=CC(CC)CN(C)C=O;PCQAASJUGUQWJM-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327124;MM327124;CNC(C)C1CC1(F)CF;BPRFQURRMFJFGK-UHFFFAOYSA-N;149.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327125;MM327125;C=CC(CN)CN(C)C=N;DDVIHQWWGZALPB-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327126;MM327126;CCC1(C)CC1C(C)OC;ONAFJKQLECJGQX-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327127;MM327127;C=CC(CO)CN(C)C=N;JPFUCWADWNDBSN-UHFFFAOYSA-N;142.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327128;MM327128;COC(C)C1CC1(C)CN;SUSZJSYSRZQTCS-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327129;MM327129;C=CC(CO)CN(C)C=O;IWWBRPFQHGVHMR-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327130;MM327130;COC(C)C1CC1(C)CO;KXXFGGRBMNSMOP-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327131;MM327131;CN(C=N)CC(C#N)CO;VSXBCGLWEIKPLN-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327132;MM327132;COC(C)C1CC1(C)CF;HEKRBPPMJYEOLO-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327133;MM327133;CN(C=O)CC(C#N)CO;MUVFKGKJJMRQCZ-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327134;MM327134;CCC1(N)CC1C(C)OC;OPJROFDXOXVFSM-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327135;MM327135;C=CC(CF)CN(C)C=N;WWZQHQKIPCTFRG-UHFFFAOYSA-N;144.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327136;MM327136;COC(C)C1CC1(N)CF;KFWIPWGIIMRNQI-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327137;MM327137;C=CC(CF)CN(C)C=O;JAZPABMQEYJHRF-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327138;MM327138;COC(C)C1CC1(O)CN;RRSIGNBWIXSPBZ-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327139;MM327139;CN(C=N)CC(C=O)CF;IQPFTJZPBFEKKP-UHFFFAOYSA-N;146.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327140;MM327140;COC(C)C1CC1(O)CO;JLYJRWDBFKHCIM-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327141;MM327141;C#CC(C#C)=CCCCO;KPRUXHBAFMYCNT-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327142;MM327142;CCC1(F)CC1C(C)OC;GRHGXIOHSQDNAL-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327143;MM327143;CN(C=O)CC(C#N)CF;GKLQFJIGEGBUMD-UHFFFAOYSA-N;144.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327144;MM327144;CCC(C)C1CC1(C)NC;RCEISROXJNLRQK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327145;MM327145;C=CC(CC)CN(N)C=N;AOBCTGUQMKQPDC-UHFFFAOYSA-N;141.22;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327146;MM327146;CNC1(C)CC1C(C)CN;ZDXGPESQBQYUGK-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327147;MM327147;C=CC(CC)CN(N)C=O;PNSQOWGCLYWQKU-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327148;MM327148;C#CC1(C#C)CC1CCO;QIJMKYZMJUTAJO-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327149;MM327149;CNC1(C)CC1C(C)CO;RZHONZRTSLIPOZ-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327150;MM327150;C=CC(CC)CN(O)C=N;WUVBEDQVWFHJEK-UHFFFAOYSA-N;142.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327151;MM327151;CNC1(C)CC1C(C)CF;HYNLAMRRZIYJNZ-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327152;MM327152;C=CC(CC)CN(O)C=O;GYBJLAOLRJADNG-UHFFFAOYSA-N;143.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327153;MM327153;CCC(N)C1CC1(C)NC;WNZOQFMXSMKLQV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327154;MM327154;CCC(C=O)CN(O)C=O;YMXJENQCXGERQJ-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327155;MM327155;CNC1(C)CC1C(N)CN;FBAKHJGTSHLINV-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327156;MM327156;C=CC(CC)CN(C)N=C;NKTZOTOTCOYING-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327157;MM327157;CNC1(C)CC1C(N)CF;RWORTLNEUMBVLH-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327158;MM327158;C=CC=C(CO)CC1CC1;FEKQBDSURXXBPP-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327159;MM327159;CCC(O)C1CC1(C)NC;KGJQQNOYDCNMAU-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327160;MM327160;CCc1onc(OC)c1N;XSCNRMTUJKJFHO-UHFFFAOYSA-N;142.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327161;MM327161;CNC1(C)CC1C(O)CN;PUESVKOSJYUSEH-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327162;MM327162;C#CC(=CCC)C1CC1O;UCMDFEUNLIUKSX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327163;MM327163;CNC1(C)CC1C(O)CO;RVKHGIFJKQXZOG-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327164;MM327164;CCCC#CCC1CC1O;NINRWTQHVHCRGZ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327165;MM327165;CNC1(C)CC1C(O)CF;CESHJLWYIIUQHX-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327166;MM327166;C=CC(CF)CN(C)N=C;VCAIGMIQNMQUFY-UHFFFAOYSA-N;144.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327167;MM327167;CNC1(C)CC1C(F)CN;XOBBOZLZFNPENB-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327168;MM327168;CNC1(C)CC1C(F)CF;BIVXMXXKTAAVCH-UHFFFAOYSA-N;149.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327169;MM327169;CC1CC1C=CCCCO;QEELLUGVTCKZLO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327170;MM327170;CNC(C)C1CC1(C)NC;LDKISHLIIQOUKH-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327171;MM327171;C=NN(C)CC(C#N)CF;SHXLOGRNIJKDDH-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327172;MM327172;CNC1(C)CC1C(C)OC;YBYPNCMERSLTCL-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327173;MM327173;CNC(C=O)CN(C)C=N;MGNBKCVYEGCVFW-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327174;MM327174;CCC(C)C1CC1(C)OC;SREUAGDBVNMZTL-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327175;MM327175;CNC(C#N)CN(C)C=N;NERUPCZLZCAWAT-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327176;MM327176;COC1(C)CC1C(C)CN;JSCQOCJDSVTNBL-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327177;MM327177;C=CC(CN(N)C=O)NC;NUYSXOCJXBOTLQ-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327178;MM327178;COC1(C)CC1C(C)CF;XRMMYQJEKJXJDD-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327179;MM327179;C=CC(CN(C)N=C)NC;FZUAQAUHRMTVMJ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327180;MM327180;CCC(N)C1CC1(C)OC;KODDUEHCPQKLCI-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327181;MM327181;C=NN(C)CC(C#N)NC;VDZJAPWBYBYQCP-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327182;MM327182;COC1(C)CC1C(N)CN;ZDVRRALRUXEACJ-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327183;MM327183;COC(C=O)CN(C)C=N;DKZVGMWNANKQNX-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327184;MM327184;COC1(C)CC1C(N)CO;HMEZHWWXLAFQBL-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327185;MM327185;C=CC(CN(N)C=N)OC;BTENWHFUHQVGRC-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327186;MM327186;COC1(C)CC1C(N)CF;DPUNUPCRMQOPSX-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327187;MM327187;CCC(O)C1CC1(C)OC;LNMZUTRWDYBWLZ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327188;MM327188;C=NN(C=O)C1CC1C=O;QAKDXVDSTWGPGE-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327189;MM327189;C=NN(C)CC(C#N)OC;PHZDUQSYWACSCR-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327190;MM327190;COC1(C)CC1C(O)CN;OFLMEBSCHARHAJ-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327191;MM327191;OCCCC=CCCCO;IPOOKKJSFZYCSH-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327192;MM327192;COC1(C)CC1C(O)CO;OJNANHVAIKHZRS-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327193;MM327193;C=CC(CN)NN(C)C=N;NPJOLCCWFMBNPK-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327194;MM327194;COC1(C)CC1C(O)CF;BKKGURCTWNQCKF-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327195;MM327195;C=CC(CN)NN(C)C=O;ADKQACHWOJISGJ-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327196;MM327196;COC1(C)CC1C(F)CN;IAIFJTAFDSKNEY-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327197;MM327197;CN(C=N)NC(C#N)CO;OFHSEQHOQKGJNR-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327198;MM327198;COC1(C)CC1C(F)CO;FOYQTJMVCAXYPK-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327199;MM327199;CCOCC=CCCCO;SLRCPQZMXDJCNS-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327200;MM327200;COC(C)C1CC1(C)OC;AAJZBIVFISTIHY-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327201;MM327201;C=CC(CF)NN(C)C=O;GRWCBRZRQMZXTJ-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327202;MM327202;CCN(C)C1CC1(C)CC;WJRBFGPPMLPXIE-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327203;MM327203;CCN(C)C1CC1(C)CN;WQRPQGVPKWLNID-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327204;MM327204;CN(C=N)NC(C#N)CF;RETFYVNRMSJJNC-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327205;MM327205;C=CC(CC)ON(C)C=O;XJFWMXLLBWHXEE-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327206;MM327206;CCN(C)C1CC1(C)CO;GIJVIGDCWJXPNB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327207;MM327207;CCN(C)C1CC1(C)CF;OPLRKTITBIEMHI-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327208;MM327208;C=CC(CN)ON(C)C=O;DVJLAYZTMXHHFV-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327209;MM327209;CCN(C)C1CC1(N)CC;CNJOLFUVFCKAGN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327210;MM327210;CN(C=N)OC(C#N)CO;JELIYDNPSZCMQG-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327211;MM327211;CCN(C)C1CC1(N)CN;RKEWYQLXNNRYSQ-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327212;MM327212;CN(C=O)OC(C#N)CO;YVQYWIVDJMUUCP-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327213;MM327213;CCN(C)C1CC1(N)CF;TXGJFXSXLOASNG-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327214;MM327214;CN(C=O)OC(C#N)CF;XKJDFTFCJWUPPI-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327215;MM327215;CCN(C)C1CC1(O)CC;DLPRSFUTDYRLEX-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327216;MM327216;COC(C=O)ON(C)C=N;WUEXUWNIHFGGKM-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327217;MM327217;CCN(C)C1CC1(O)CN;AABVJTGBQZSIGI-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327218;MM327218;C=CC(C)CN(C=O)CC;AGHBDKFRWJKWRG-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327219;MM327219;CCN(C)C1CC1(O)CO;TXOQMVKENUMAKM-UHFFFAOYSA-N;145.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327220;MM327220;C=CC(N)CN(C=O)CC;GZCHGFKPGPDNQV-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327221;MM327221;CCN(C)C1CC1(O)CF;TXVQYJLAOYGTSB-UHFFFAOYSA-N;147.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327222;MM327222;C=CC(O)CN(C=N)CC;YFVQIONSNPWNHP-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327223;MM327223;CCN(C=O)CC(O)C=O;PLBXCYAQBODHBC-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327224;MM327224;CCN(C)C1CC1(F)CN;VTASELGXTRLLGY-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327225;MM327225;CCN(C)C1CC1(C)NC;XHAFIHRUZDYHOP-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327226;MM327226;C=CC(F)CN(C=N)CC;GUDBLXKIWINDBJ-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327227;MM327227;CCN(C)C1CC1(C)OC;JICQLRAQOHZHHH-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327228;MM327228;CCN(C=O)CC(F)C#N;CCCONBUQJVZGQX-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327229;MM327229;CCC1(C)NC1C(C)CN;SQPYQKPPQFAFNM-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327230;MM327230;C=CC(C)CN(CC)N=C;BWEMCIDVCIFRHO-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327231;MM327231;CCC(C)C1NC1(C)CN;KWLRIKDQAXKRMP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327232;MM327232;C=NN(CC)CC(C)C#N;ZLMNHCVATFXLRQ-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327233;MM327233;CCCOC=CCCCO;HQSYZZBRYHXCRY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327234;MM327234;CC(CN)C1NC1(C)CN;VKVMMKPYGLMOJL-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327235;MM327235;CNN(C=N)CC(C)C=O;XGFOZIIQBZMIET-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327236;MM327236;CC(CN)C1NC1(C)CO;RBWMLJNHMDNIHP-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327237;MM327237;CCC(C)C1NC1(C)CF;XWDSXTNXDXRUNP-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327238;MM327238;CNN(C=N)CC(C)C#N;MUGJTDHYVIMTRM-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327239;MM327239;O=CCCC=CCCCO;JJEICXLQMJVPPN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327240;MM327240;CC(CN)C1NC1(C)CF;BPGOKZSGTLJKDB-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327241;MM327241;CCC(N)C1NC1(C)CC;YRMNHQYLIZLENJ-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327242;MM327242;CNN(C=O)CC(C)C#N;WQIPPVXTIJRDRC-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327243;MM327243;CCC1(C)NC1C(N)CN;KMYIVCRCTJMQDP-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327244;MM327244;C=CC(N)CN(C=N)NC;NPGDQBSPPAVMIJ-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327245;MM327245;CCC1(C)NC1C(N)CO;FZXPQLOUHUQOIM-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327246;MM327246;C=CC(N)CN(C=O)NC;FADRNLONFSYKSU-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327247;MM327247;CCC(N)C1NC1(C)CN;BDAKNOPGNNAXGU-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327248;MM327248;C=CC(O)CN(C=N)NC;PWYFRNOTDQNSAH-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327249;MM327249;CNN(C=N)CC(O)C=O;MAHOPFRVKUVXOQ-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327250;MM327250;CC1(CN)NC1C(N)CN;MPDPDIMQNHSJMX-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327251;MM327251;CC1(CN)NC1C(N)CO;LBALLQNZNULFOB-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327252;MM327252;CNN(C=N)CC(O)C#N;IYJMEGGBMLCCNP-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327253;MM327253;CC1(CN)NC1C(N)CF;CZWRLNCLKYCGBK-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327254;MM327254;N#CCOC=CCCCO;AFRTWRKUQCGXPN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327255;MM327255;CNN(C=N)CC(F)C#N;ZUVDPBNVEPOSLW-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327256;MM327256;CCC(N)C1NC1(C)CO;XVHZNNYMVOAGQU-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327257;MM327257;CC1(CO)NC1C(N)CO;FXGPBGXHIBKQNK-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327258;MM327258;C=CC(N)CN(C=O)OC;MWOIOVSHJDXQJL-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327259;MM327259;CCC(N)C1NC1(C)CF;ZBNQDZDCWDYAFI-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327260;MM327260;CON(C=O)CC(O)C=O;XFWKGBLUBQVJPU-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327261;MM327261;CCC1(C)NC1C(O)CN;SJEICMUAWFVNPW-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327262;MM327262;CON(C=O)CC(F)C#N;AQWZSNPDDBGRRI-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327263;MM327263;CCN(C=N)NC(C)C#N;ZZIIRXUBNAKUMR-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327264;MM327264;CC1(CN)NC1C(O)CN;FUPWVBQUFGYLLD-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327265;MM327265;C=CC(C)NN(C=O)CC;BWAIVBQORFBYRK-UHFFFAOYSA-N;142.2;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327266;MM327266;CC1(CO)NC1C(O)CN;UMACERRNBHRMPH-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327267;MM327267;C=CC(C)ON(C=O)CC;XSQNDVVXDGTJDV-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327268;MM327268;CCC(F)C1NC1(C)CC;VIOLZVQUICSZPK-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327269;MM327269;CCN(C=O)OC(C)C=O;XQPRVVPDOBSWCQ-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327270;MM327270;C=C(CO)C(C)CCC;CWRBHHAUONZQJZ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327271;MM327271;C#CC(C)CC(C=C)CC;IDCSCUAQNRTIMC-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327272;MM327272;CC1(CN)NC1C(F)CN;FWNWUGFCKXIJDO-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327273;MM327273;C#CC(C)CC(C=O)CC;NUOLEURQANEEKT-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327274;MM327274;C=C(CO)C(C)CCO;OOKSQNOYPLWBFJ-UHFFFAOYSA-N;130.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327275;MM327275;C#CC(C)CC(C#N)CC;KVWRQQOAANKLEG-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327276;MM327276;CC1(CO)NC1C(F)CN;AXUZOVGWPFKWFJ-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327277;MM327277;C#CC(C)CC(C=C)CN;IKRRAIZQOCSNAO-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327278;MM327278;CC(CO)=C(C)CCF;SZMBODYAWLGLKR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327279;MM327279;C#CC(C)CC(C=O)CO;IDUPEMGVDQRFAH-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327280;MM327280;C=CC(CC=O)=NOC;JAUKKMBVHAQBLZ-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327281;MM327281;C#CC(C)CC(C#N)CO;YYSNWCDZMXICCZ-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327282;MM327282;CCC1(C)NC1C(C)NC;VFSAXEHRSNJIEH-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327283;MM327283;C#CC(C)CC(C=C)CF;DPQSCTFJZODJRO-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327284;MM327284;CNC(C)C1NC1(C)CN;VFPIAIGVTOOFAN-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327285;MM327285;C#CC(C)CC(C=O)CF;YUAPQDCZUPVVAY-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327286;MM327286;CNC(C)C1NC1(C)CO;OSQJLJBLBOIZEL-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327287;MM327287;C#CC(C)CC(C#N)CF;FCKPEANCFOBZBX-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327288;MM327288;CNC(C)C1NC1(C)CF;DAELCJWMXBPCTR-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327289;MM327289;C#CC(N)CC(C=C)CC;BFJWWGZJOCDOEQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327290;MM327290;C#CC(N)CC(C=C)CN;XZDHRSNNMGSEMO-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327291;MM327291;CCC(C)C1OC1(C)CC;DYXWFMZWIUROPR-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327292;MM327292;C#CC(N)CC(C=C)CF;QDKJVZCRYISBEV-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327293;MM327293;CCC1(C)OC1C(C)CN;QRNYVXXIOANFGE-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327294;MM327294;C#CC(O)CC(C=C)CC;SVZLVOGQSLJSHK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327295;MM327295;CCC1(C)OC1C(C)CO;PYUILRMLANNCNS-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327296;MM327296;C#CC(O)CC(C=O)CC;OLLHAIUUIUTNHA-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327297;MM327297;CCC1(C)OC1C(C)CF;ZLDQWIWXBAMASR-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327298;MM327298;C#CC(O)CC(C#N)CC;UICLOOBBRKOBSQ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327299;MM327299;CCC(C)C1OC1(C)CN;MNYCPQJZXIKEHG-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327300;MM327300;C#CC(O)CC(C=O)CO;YECCEJVBJNWMGI-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327301;MM327301;CC(CO)C1OC1(C)CN;GMXPIWRTIUDLLR-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327302;MM327302;C#CC(O)CC(C#N)CO;UKSGTIZHKXQYIA-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327303;MM327303;CCC(C)C1OC1(C)CO;PHGRTUCTPNFGMR-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327304;MM327304;C#CC(O)CC(C=C)CF;XLRCRGRWVAKDEP-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327305;MM327305;CC(CN)C1OC1(C)CO;KKMPMSWNNHHSFE-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327306;MM327306;C#CC(O)CC(C=O)CF;GUDPHWALFLMVOE-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327307;MM327307;CCC1(C)OC1C(N)CN;BLUOBOWWENPXFV-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327308;MM327308;C#CC(O)CC(C#N)CF;RIHBHEQTZFMUKX-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327309;MM327309;CCC1(C)OC1C(N)CO;CRLJZRGKZPUIIM-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327310;MM327310;C#CC(F)CC(C=C)CC;VUGHUECBKVXMQS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327311;MM327311;CCC1(C)OC1C(N)CF;SXABFASOUVBNKA-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327312;MM327312;C#CC(F)CC(C=O)CC;OMXVLLRPZTWMBZ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327313;MM327313;CC1(CN)OC1C(N)CO;QRONPSZAQRAHQC-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327314;MM327314;C#CC(F)CC(C#N)CC;DEXLXVHYTFRKQC-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327315;MM327315;CC1(CN)OC1C(N)CF;BUJRZKOICLVSRW-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327316;MM327316;C#CC(F)CC(C=C)CN;JVDQUYGLXDHDMQ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327317;MM327317;CC1(CF)OC1C(N)CN;PKXUJDFCVQOWJH-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327318;MM327318;C#CC(F)CC(C=O)CF;TYZIZMZWBZGCIR-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327319;MM327319;CC1(CF)OC1C(N)CO;PMMWHKLRWMJZSD-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327320;MM327320;C#CC(C)CC(C=C)NC;POPLIOVEDQHSRH-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327321;MM327321;CC1(CF)OC1C(N)CF;LJMFIFZRCBJVBP-UHFFFAOYSA-N;151.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327322;MM327322;C#CC(O)CC(C=C)NC;AKJOQCVMPPQRGW-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327323;MM327323;CCC(O)C1OC1(C)CC;FNWIAYPLPIWPSV-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327324;MM327324;NN=CCC=CCCCO;AEPOIIKMSLYRKG-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327325;MM327325;CCC1(C)OC1C(O)CN;DQFJGMZNMZWLCZ-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327326;MM327326;C#CC(C)CC(C=C)OC;VPUZEFUSJSPIAS-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327327;MM327327;CCC1(C)OC1C(O)CO;PMIDZQXMEISQOH-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327328;MM327328;C#CC(C)CC(C=O)OC;VZWMCIOWLAOFAQ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327329;MM327329;CCC1(C)OC1C(O)CF;KTRUSHCODWLTQG-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327330;MM327330;C#CC(O)CC(C=C)OC;UMMJMVXCQAUISG-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327331;MM327331;CCC(O)C1OC1(C)CN;RQNMTBXLPVZNAN-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327332;MM327332;C#CC(O)CC(C#N)OC;ZMZLMWPNDVDGDU-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327333;MM327333;CC1(CN)OC1C(O)CN;CEHQLLYXNWHSDV-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327334;MM327334;C#CC(F)CC(C#N)OC;POZLGAXMAZKHMI-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327335;MM327335;CC1(CN)OC1C(O)CO;PFJOCJTWVAYZRC-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327336;MM327336;C#CC(C)NC(C=C)CC;SXSNDEWFAYPAAN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327337;MM327337;CC1(CN)OC1C(O)CF;KCOULASDZNRHCZ-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327338;MM327338;NN=COC=CCCCO;YOPRUBHZLIEXKC-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327339;MM327339;CCC=CC=CCCCO;ZTELSJAVXJTPQO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327340;MM327340;CC1(CO)OC1C(O)CN;KQXKKYRCYCMOOY-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327341;MM327341;CC1(CO)OC1C(O)CO;QSXVJVZAQNUPGH-UHFFFAOYSA-N;148.16;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327342;MM327342;C#CC(C)OC(C=C)CC;SVVJADVPSAJCJI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327343;MM327343;CC1(CO)OC1C(O)CF;RSJJNGBUKJWNDF-UHFFFAOYSA-N;150.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327344;MM327344;C#CC(C)OC(C=O)CC;QORBZRSLRIFCEN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327345;MM327345;CC1(CF)OC1C(O)CN;ZKEXEERTXAVVNN-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327346;MM327346;C#CC(C)OC(C=C)CO;QSYLPIBTVHGSQK-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327347;MM327347;CC1(CF)OC1C(O)CO;XIBCRGNHEFUUIO-UHFFFAOYSA-N;150.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327348;MM327348;C#CC(C)OC(C=O)CO;VGWYGIFZKVPQNE-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327349;MM327349;CCC(F)C1OC1(C)CC;ZIMFSDWOHWTCLM-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327350;MM327350;C#CC(C)OC(C#N)CO;DSTYHQFYRXCQLW-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327351;MM327351;CCC1(C)OC1C(F)CN;ZHWDLYMZYIOKTF-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327352;MM327352;C#CC(C)OC(C#N)CF;DFWHKGMEXXPKEJ-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327353;MM327353;CCC1(C)OC1C(F)CO;TUZVXVDGWWPWRX-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327354;MM327354;C#CC(C)OC(C=C)OC;GMEGCZHXYWYRBZ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327355;MM327355;CCC1(C)OC1C(F)CF;LCYRPPIUKBTAHT-UHFFFAOYSA-N;150.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327356;MM327356;C#CC(C)OC(C#N)OC;LPLNBYKLAQJOTB-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327357;MM327357;CCC(F)C1OC1(C)CN;XMYNDPBVWLNRGZ-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327358;MM327358;C#CC(C)CN(C=O)CC;LDSRMJKUPOORRV-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327359;MM327359;CC1(CN)OC1C(F)CN;DGUCHDALJFUTEA-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327360;MM327360;C#CC(C)CN(CC)N=C;PYRWLSMJPOEDND-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327361;MM327361;CC1(CN)OC1C(F)CO;OUVXGLNNUXMFTH-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327362;MM327362;C#CC(C)CN(C=N)NC;UPWURQFTWXVIQK-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327363;MM327363;CC1(CO)OC1C(F)CN;OHPCSRFAVNUENS-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327364;MM327364;C#CC(C)CN(C=O)NC;SUUJILOXSMBZQH-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327365;MM327365;CC1(CF)OC1C(F)CN;QIQWXCNQAQSBJU-UHFFFAOYSA-N;151.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327366;MM327366;C#CC(N)CN(C=N)NC;ARLYQGIMCPOQRG-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327367;MM327367;CC1(CF)OC1C(F)CO;GYXSLLWPWYOCEV-UHFFFAOYSA-N;152.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327368;MM327368;C#CC(O)CN(C=N)NC;VFCLXNKYLPHFPS-UHFFFAOYSA-N;141.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327369;MM327369;CC1(CF)OC1C(F)CF;FCJOUXMRMASZDR-UHFFFAOYSA-N;154.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327370;MM327370;O=CC=CC=CCCCO;LDQBLSCYVUTDRD-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327371;MM327371;CCC1(C)OC1C(C)NC;SYHOHEMZYIMTDR-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327372;MM327372;C#CC(F)CN(C=N)NC;YTMXNUPOMDWPLV-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327373;MM327373;C#CC(O)CN(C=O)OC;TWKADKWNRQLCOC-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327374;MM327374;CNC(C)C1OC1(C)CN;RDJZEAUKWDAHQX-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327375;MM327375;C#CC(C)ON(C=N)CC;OXBVZKSJHFSGOC-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327376;MM327376;CCC1(C)OC1C(C)OC;SQANTPAVLKCEKZ-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327377;MM327377;C#CC(C)ON(C=O)CC;DBLFQVJOJAWETH-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327378;MM327378;CCC1(C)CN1C(C)CN;LHXOOIRHCVZZFA-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327379;MM327379;C#CC(CC)CC(C)CC;PJSPRVHDUMXEEJ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327380;MM327380;CCC1(C)CN1C(C)CF;ARSPKQKTSQLCHG-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327381;MM327381;C#CC(CC)CC(C)CN;PQDCKIJKXBHGGN-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327382;MM327382;CCC(C)N1CC1(C)CN;VAFSORPEWPEBCI-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327383;MM327383;N#CC=CC=CCCCO;YVJBKXCVQNHLEU-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327384;MM327384;CC(CN)N1CC1(C)CN;JVGYXHZQWBYKIG-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327385;MM327385;C#CC(CC)CC(C)CF;SXBJZMNWMIHQDS-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327386;MM327386;CC(CF)N1CC1(C)CN;JPLAEZRDVNVVDB-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327387;MM327387;C#CC(CN)CC(C)CC;UPHZANBSFTYQTC-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327388;MM327388;CC(CN)N1CC1(C)CO;IDDSTLUWYWXCSS-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327389;MM327389;C#CC=CC=CCCCO;CCQMDYZHJGMBTH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327390;MM327390;C=CC(CCC)C(N)=O;NQHWBXBJOPMVMP-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327391;MM327391;C#CC(CF)CC(C)CN;RLXCBFDQHPBQIH-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327392;MM327392;CCC(C)N1CC1(C)CF;SMTFWZZHILDKIN-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327393;MM327393;C#CC(CC)CC(N)CC;JFRLDXSZOUUQIV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327394;MM327394;CC(CN)N1CC1(C)CF;IBBSOPTYSOTKJK-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327395;MM327395;C#CC(CC)CC(N)CN;QUCQSSMEYSVQMP-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327396;MM327396;CC(CF)N1CC1(C)CF;BOEGKKFDBBIQKJ-UHFFFAOYSA-N;149.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327397;MM327397;C#CC(CC)CC(N)CO;YYJROSMAHNFAOA-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327398;MM327398;C=CC(C)C1CC1(C)CC;JQRRPIBHMKIKTK-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327399;MM327399;C#CC(CC)CC(N)CF;NKFJRVNRHSTGDP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327400;MM327400;CCC1(C)CC1C(C)C=O;ABYZFNMVNKBRHB-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327401;MM327401;C#CC(CN)CC(N)CN;KEWAOSVZKFYDEP-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327402;MM327402;CCC1(C)CC1C(C)C#N;LQTDMFKDCMWWSH-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327403;MM327403;C#CC(CN)CC(N)CO;GAZNQEPBRSNCQP-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327404;MM327404;C=CC(C)C1CC1(C)CN;YUEPRPOPQUQEGS-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327405;MM327405;C#CC(CO)CC(N)CN;PJZGYXGUJFRCRA-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327406;MM327406;CC=CC(CC)C(N)=O;LQHIKZILVLDRCT-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327407;MM327407;C#CC(CO)CC(N)CF;VQOYNVWDGYSJLZ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327408;MM327408;CC=Nn1cc(N)nn1;QPRJAECMHGHSIF-UHFFFAOYSA-N;125.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327409;MM327409;C#CC(CF)CC(N)CN;BOGDWRAFRORCCG-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327410;MM327410;CC=C(CO)CCCC;AITTZSSABXLAKU-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327411;MM327411;C#CC(CF)CC(N)CO;LLNUORGCPHFHFK-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327412;MM327412;C=CC(C)C1CC1(C)CF;UJOISBABHPRPOM-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327413;MM327413;C=CC#CC=CCCCO;PIMUQILQWDXRLB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327414;MM327414;C#CC(CC)CC(O)CN;HUDZRCLJZDFFIS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327415;MM327415;CC(C=O)C1CC1(C)CF;DGPGEMCFPKJSAP-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327416;MM327416;C#CC(CN)CC(O)CN;MHXNLZNBLWUFRJ-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327417;MM327417;CC(C#N)C1CC1(C)CF;GXWZUTJXVHOFGK-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327418;MM327418;C#CC(CN)CC(O)CO;SAZNJWSZNSYGCY-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327419;MM327419;C=CC(N)C1CC1(C)CC;DBAYCGONZJQVMB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327420;MM327420;C#CC(CO)CC(O)CO;IOPWLQKOLFJVKZ-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327421;MM327421;C=CC(N)C1CC1(C)CN;TWKQGRSOEMUKPL-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327422;MM327422;C#CC(CF)CC(O)CC;GFZNCMHPTXZTBT-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327423;MM327423;C=CC(N)C1CC1(C)CO;OLNWWUUKQAOUST-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327424;MM327424;C#CC(CF)CC(O)CO;NDRIWPOLWFGOKU-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327425;MM327425;CCCC=C(CC)CO;JSRFYJBJQPGAAA-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327426;MM327426;C#CC(CC)CC(F)CC;PJAPUYCPJOJWCK-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327427;MM327427;CCC1(C)CC1C(O)C=O;XCOKVCQLPPNUAK-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327428;MM327428;C#CC(CC)CC(F)CN;MOUYPZJOLYTJNZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327429;MM327429;CCC1(C)CC1C(O)C#N;OUHQTNAHZOAVSG-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327430;MM327430;C#CC(CC)CC(F)CO;AOZOWYWUAJGWNK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327431;MM327431;C=CC(O)C1CC1(C)CN;WJWFOBLPBUFVES-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327432;MM327432;C#CC(CC)CC(F)CF;APPHIOUNMCGPCV-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327433;MM327433;CC1(CO)CC1C(O)C=O;KMYXTRYMGNBPGI-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327434;MM327434;C#CC(CF)CC(F)CC;PQQJIAJDAJICTG-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327435;MM327435;C=CC(O)C1CC1(C)CF;MHRICPTXGXFCBO-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327436;MM327436;C#CC(CF)CC(F)CF;KQWZZOHJGHLWDV-UHFFFAOYSA-N;150.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327437;MM327437;CC1(CF)CC1C(O)C=O;JLHWGRZINWWTIU-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327438;MM327438;C#CC(CC)CC(C)NC;RHBNADSXSKLRHU-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327439;MM327439;C=CC(F)C1CC1(C)CC;VJLJXIDBGBPVRV-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327440;MM327440;C#CC(CF)CC(C)NC;ZWWZORPWZBADLR-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327441;MM327441;CCC1(C)CC1C(F)C=O;OYQXWWVMBNSRNK-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327442;MM327442;C#CC(CC)CC(C)OC;GMGBBGLPPJIIMK-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327443;MM327443;CCC1(C)CC1C(F)C#N;MHAHGKIWNCCPMJ-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327444;MM327444;C#CC(CN)CC(C)OC;MIALESCWTCIZSJ-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327445;MM327445;C=CC(F)C1CC1(C)CN;MJDXRVBJVDGCFG-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327446;MM327446;C#CC(CO)CC(C)OC;WGNDXUVNNKORDR-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327447;MM327447;C=CC(F)C1CC1(C)CO;GATPEHJDFGYTHE-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327448;MM327448;C#CC(CF)CC(C)OC;BTSXADNJEROEQK-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327449;MM327449;CC1(CO)CC1C(F)C=O;UJODPUDWCAIOAK-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327450;MM327450;C#CC(CC(C)CC)NC;WCJRXGOENUXOEO-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327451;MM327451;C=CC(C)C1CC1(N)CC;DCYSIBRAXIJSHM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327452;MM327452;C#CC(CC(C)CN)NC;TVMVNEHGFYRSDX-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327453;MM327453;C=CC(C)C1CC1(N)CN;WTFSSIQOTMQZRU-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327454;MM327454;C#CC(CC(C)CO)NC;PZYGZUFQDCJMFR-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327455;MM327455;C=CC(C)C1CC1(N)CO;SAEUYBIYSGNDEL-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327456;MM327456;C#CC(CC(N)CN)NC;LXOVMGPXJVNIKG-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327457;MM327457;C=CC(N)C1CC1(N)CC;WUMVGOUZSMHURJ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327458;MM327458;C#CC(CC(N)CO)NC;QCXSSKAQAUVDJH-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327459;MM327459;C=CC(N)C1CC1(N)CN;GNXVMSKKMJMWMM-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327460;MM327460;C#CC(CC(O)CN)NC;ZKEBNBHYGKODQX-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327461;MM327461;C=CC(N)C1CC1(N)CO;KUFBINAPOKHPMJ-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327462;MM327462;C#CC(CC(F)CC)NC;NOEODZUSUPTEKY-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327463;MM327463;C=CC(N)C1CC1(N)CF;VSFSCYFBWXOXPH-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327464;MM327464;C#CC(CC(C)CC)OC;BPZIIEZWLBITDE-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327465;MM327465;C=CC(O)C1CC1(N)CC;VOWMWTBBNUMZBG-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327466;MM327466;C#CC(CC(C)CN)OC;ZFWFHAGXGGTIKL-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327467;MM327467;C=CC(O)C1CC1(N)CN;OSZISURCRZNTAY-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327468;MM327468;C#CC(CC(C)CO)OC;YYIPECUTSYDFKJ-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327469;MM327469;C=CC(O)C1CC1(N)CO;BRQWAKKRRBGJTE-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327470;MM327470;C#CC(CC(C)CF)OC;VNCOCDLWNFSJPZ-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327471;MM327471;C=CC(O)C1CC1(N)CF;AIVYDPBTMPTURH-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327472;MM327472;C#CC(CC(N)CC)OC;FLSQLWIOTBMVGE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327473;MM327473;C=CC(F)C1CC1(N)CC;GNMMZCIPVSZYSQ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327474;MM327474;C#CC(CC(N)CN)OC;ZQFSGCRBXVBDCY-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327475;MM327475;C=CC(F)C1CC1(N)CN;DXAGHICIGOHYJY-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327476;MM327476;C#CC(CC(N)CO)OC;GOKDJUNTSKLHJI-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327477;MM327477;CCC(=CCCF)CO;OLUPLSMWTLHXAG-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327478;MM327478;C#CC(CC(N)CF)OC;BLGMOWDIPOMKNM-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327479;MM327479;CCC1(O)CC1C(C)C=O;WLJGTEDBNLJUPA-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327480;MM327480;C#CC(CC(O)CC)OC;FPMTUDOJISURPZ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327481;MM327481;CCC1(O)CC1C(C)C#N;TXLGGVRMWWSWRA-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327482;MM327482;C#CC(CC(O)CO)OC;GKNDYHWKYMHMEB-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327483;MM327483;C=CC(C)C1CC1(O)CN;IMKQMNCTQFXYIG-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327484;MM327484;C#CC(CC(O)CF)OC;IVHIMARHAVBURP-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327485;MM327485;C=CC(C)C1CC1(O)CO;VNEHUPVZFVHPFK-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327486;MM327486;C#CC(CC(F)CN)OC;TWGZESZMPOVTOB-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327487;MM327487;C=CC(N)C1CC1(O)CC;IQIFBQRRAJTCEV-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327488;MM327488;C#CC(CC(F)CF)OC;BJKXYNRPGWVGGI-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327489;MM327489;C=CC(N)C1CC1(O)CN;CFJVGZVPRZVKED-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327490;MM327490;C=CC(N)C1CC1(O)CO;PEMZMMUFXRUAPV-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327491;MM327491;C#CC(CC(C)OC)OC;GQVYICKJPDBWHI-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327492;MM327492;C=CC(O)C1CC1(O)CC;CIGLPCJYPDGOFK-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327493;MM327493;C#CC(CC)NC(C)CC;HVHOKJWODSZHSC-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327494;MM327494;CCC1(O)CC1C(O)C=O;MCGNVIRGTYJIQP-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327495;MM327495;C#CC(CC)NC(C)CN;GCUDXKDZVANQTM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327496;MM327496;CCC1(O)CC1C(O)C#N;NAXZCVHOPTYAHF-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327497;MM327497;C#CC(CN)NC(C)CN;YIILIPDAKLVJJY-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327498;MM327498;C=CC(O)C1CC1(O)CN;ZZQGPFMWJSOJFS-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327499;MM327499;C#CC(CO)NC(C)CN;BCKQKWPZHDGVNF-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327500;MM327500;C=CC(O)C1CC1(O)CO;ZIMSXRVPLNDOGR-UHFFFAOYSA-N;144.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327501;MM327501;C#CC(CC)OC(C)CC;YRKQXDQKUMLEMY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327502;MM327502;O=CC(O)C1CC1(O)CO;QBGBDUPHHXVXSU-UHFFFAOYSA-N;146.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327503;MM327503;C#CC(CC)OC(C)CN;QTUZIVRVIPNAMH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327504;MM327504;N#CC(O)C1CC1(O)CO;CMTYGXJBAULGIQ-UHFFFAOYSA-N;143.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327505;MM327505;C#CC(CC)OC(C)CO;XJJQPAYUKQQRDE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327506;MM327506;O=CC(O)C1CC1(O)CF;NDRCBDJRFLZKLB-UHFFFAOYSA-N;148.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327507;MM327507;C#CC(CC)OC(C)CF;VWBOLMVDHPRANT-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327508;MM327508;C=CC(F)C1CC1(O)CC;BWXQEDDVQVUKRD-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327509;MM327509;C#CC(CN)OC(C)CC;OVSBCCQUFJMOHO-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327510;MM327510;CCC1(O)CC1C(F)C=O;TWDCKKGUUVPAHU-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327511;MM327511;C#CC(CN)OC(C)CN;DYFACASLADNVTJ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327512;MM327512;CCC1(O)CC1C(F)C#N;WIEZQPBCFRBNPG-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327513;MM327513;C#CC(CN)OC(C)CO;NMZHDWBCYSKLOP-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327514;MM327514;C=CC(F)C1CC1(O)CN;YZYFGISGVSWMFI-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327515;MM327515;C#CC(CO)OC(C)CC;JAQVNMMEVRMIAJ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327516;MM327516;C=CC(F)C1CC1(O)CO;UZAUSWYKQOZOPM-UHFFFAOYSA-N;146.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327517;MM327517;C#CC(CO)OC(C)CN;MSKMNPLZWHYNQW-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327518;MM327518;O=CC(F)C1CC1(O)CO;PHOCKXXENXTOIS-UHFFFAOYSA-N;148.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327519;MM327519;N#CC(F)C1CC1(O)CO;MZWMIUGOPVQVQU-UHFFFAOYSA-N;145.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327520;MM327520;C#CC(CO)OC(C)CF;WICQTQBNCUHVGE-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327521;MM327521;C=CC(F)C1CC1(O)CF;VWLINYWVXGVTRS-UHFFFAOYSA-N;148.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327522;MM327522;C#CC(CF)OC(C)CC;YUCDPSORFDBRST-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327523;MM327523;O=CC(F)C1CC1(O)CF;DXUCCPSSUMRWTH-UHFFFAOYSA-N;150.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327524;MM327524;C#CC(CF)OC(C)CO;FSQVLAUGWBYKKJ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327525;MM327525;N#CC(F)C1CC1(O)CF;LOKLURWWKPBFEH-UHFFFAOYSA-N;147.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327526;MM327526;C#CC(CC)OC(C)OC;SAGBCQQOAWCMFW-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327527;MM327527;C=CC(C)C1CC1(F)CC;AXYYNSMBRHVXLY-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327528;MM327528;C#CC(CO)OC(C)OC;ZOKBGAJYTQSTHF-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327529;MM327529;CCC1(F)CC1C(C)C=O;KDTOJWDUZOUJKU-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327530;MM327530;C#CC(OC)OC(C)CC;RBRADLIDPYXANL-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327531;MM327531;CCC1(F)CC1C(C)C#N;FUOQFURMVPRIKV-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327532;MM327532;C#CC(OC)OC(C)CN;INHNOQHBDWZIIN-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327533;MM327533;C=CC(C)C1CC1(F)CN;FYKKIFXYGPLUFF-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327534;MM327534;C#CC(CC)CN(C)CC;XRLZIBMWAYRMCQ-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327535;MM327535;CC(C#N)C1CC1(F)CO;INHCTJFGHDJDGN-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327536;MM327536;C#CC(CN(C)CC)NC;LMJLCUWWVHUUEG-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327537;MM327537;C=CC(C)C1CC1(F)CF;JKCAXWSHRGCEAR-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327538;MM327538;C#CC(CN(C)CC)OC;RHGQOIATFNURGV-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327539;MM327539;C=CC(N)C1CC1(F)CC;CZUHNIRFFRHUAF-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327540;MM327540;C#CC(CC)CC(C)C=C;VCSTZRDWLNUION-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327541;MM327541;C=CC(N)C1CC1(F)CN;XRINIWKXTDDPKL-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327542;MM327542;C#CC(CC)CC(C)C=O;CRXNEVRRTZSWRC-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327543;MM327543;C=CC(N)C1CC1(F)CO;UZWPYFAYWNHFKI-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327544;MM327544;C=CC(N)C1CC1(F)CF;QJGPDKAIBUPVTQ-UHFFFAOYSA-N;147.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327545;MM327545;C#CC(CC)CC(N)C=C;OZPRFXIUDWSBBS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327546;MM327546;C=CC(O)C1CC1(F)CC;ZFCBNQDXOQRPNA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327547;MM327547;C#CC(CF)CC(N)C=C;DCKPQOWJEMNSCC-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327548;MM327548;CCC1(F)CC1C(O)C=O;GGMRLNFKMKMUOD-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327549;MM327549;C#CC(CC)CC(O)C#N;VLLQPELJVPYZFL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327550;MM327550;CCC1(F)CC1C(O)C#N;QSEUWASVYQBRMT-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327551;MM327551;C#CC(CO)CC(O)C#N;JXNGKUNTVCHUMX-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327552;MM327552;C=CC(O)C1CC1(F)CN;OJKWAIKTRBRQTM-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327553;MM327553;C#CC(CF)CC(O)C=C;ISVKYUJMQJKSJZ-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327554;MM327554;C=CC(O)C1CC1(F)CO;FNZBXCCMLVFNHK-UHFFFAOYSA-N;146.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327555;MM327555;C#CC(CF)CC(O)C=O;SZMZYACMJCNDOB-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327556;MM327556;O=CC(O)C1CC1(F)CO;HIPWJTGPPXQREI-UHFFFAOYSA-N;148.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327557;MM327557;C#CC(CC)CC(F)C=C;OJTLIVSQUVZUGK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327558;MM327558;N#CC(O)C1CC1(F)CO;KGTAUBBCRQLVAC-UHFFFAOYSA-N;145.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327559;MM327559;C#CC(CC)CC(F)C=O;IEGWDTDKDSCDHJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327560;MM327560;N#CC(O)C1CC1(F)CF;WXDBXZURWICXOF-UHFFFAOYSA-N;147.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327561;MM327561;C#CC(CC)CC(F)C#N;IWRUARFRRLPPBY-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327562;MM327562;C=CC(F)C1CC1(F)CC;YUIFLPHKWOVPTO-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327563;MM327563;C#CC(CN)CC(F)C=C;SKUUUGRXNXFGCF-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327564;MM327564;C=CC(F)C1CC1(F)CN;BJCIRVRCRNVAJV-UHFFFAOYSA-N;147.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327565;MM327565;C#CC(CO)CC(F)C=O;XGCIRDLTTRMZPJ-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327566;MM327566;C=CC(F)C1CC1(F)CO;YQVNXKOULMJCTG-UHFFFAOYSA-N;148.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327567;MM327567;C#CC(CF)CC(F)C=C;LDOAQOKIEXQOLW-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327568;MM327568;N#CC(F)C1CC1(F)CO;DHOZYYRPIWVRKH-UHFFFAOYSA-N;147.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327569;MM327569;C#CC(CF)CC(F)C#N;OXMRBQCDZSUDHT-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327570;MM327570;C=CC(F)C1CC1(F)CF;DURMYOOHVIHOPU-UHFFFAOYSA-N;150.14;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327571;MM327571;C#CC(CC(C)C=C)NC;XYJGHUYTSSKHLJ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327572;MM327572;N#CC(F)C1CC1(F)CF;HHCMQBWRTLXGLX-UHFFFAOYSA-N;149.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327573;MM327573;C#CC(CC(O)C=C)NC;QKJXUDPMFXLEKE-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327574;MM327574;C=CC(C)C1CC1(C)NC;UPSYXFJGMIZLEJ-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327575;MM327575;C#CC(CC(O)C=O)NC;UADPPSVQOWUJCE-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327576;MM327576;CNC1(C)CC1C(C)C=O;HQZWNPPDGUTDBI-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327577;MM327577;C=CC(N)C1CC1(C)NC;HCQYBTRDQMPROG-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327578;MM327578;C#CC(CC(C)C=O)OC;IRQJBCTZKXUDGT-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327579;MM327579;C=CC(O)C1CC1(C)NC;AKLROAFNWJIEHA-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327580;MM327580;C#CC(CC(C)C#N)OC;WVPQUBNBFOFKCU-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327581;MM327581;C#CC(CC(O)C#N)OC;WIORRIXIFSUSOP-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327582;MM327582;CNC1(C)CC1C(O)C=O;BCGOZPSEURYYLG-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327583;MM327583;C#CC(CC(F)C#N)OC;VZGGQYCHCVNWOT-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327584;MM327584;CNC1(C)CC1C(O)C#N;OIQGWQLJSCUDCM-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327585;MM327585;C#CC(CC)NC(C)C#N;QVGWKCUKERTHIQ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327586;MM327586;C=CC(F)C1CC1(C)NC;NDUAMRHMTVZDHH-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327587;MM327587;C#CC(CN)NC(C)C=C;LAPHQZMIODUSPY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327588;MM327588;COC1(C)CC1C(C)C#N;XWZUJZLUQOPUIU-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327589;MM327589;N#CC#CC=CCCCO;TXPDKRWDYZNLSK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327590;MM327590;C=CC(N)C1CC1(C)OC;FURVHIUHJMNRHJ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327591;MM327591;C#CC(CC)OC(C)C=C;JVZWXNNLPSLDBR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327592;MM327592;C=CC(O)C1CC1(C)OC;ICPKWMSVNYMAMQ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327593;MM327593;C#CC(CC)OC(C)C#N;CXTRVRAVQICKIN-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327594;MM327594;COC1(C)CC1C(O)C=O;FHWDKRYNVCFMRH-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327595;MM327595;C#CC(CO)OC(C)C=C;USLNPLDNCJHBMJ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327596;MM327596;COC1(C)CC1C(O)C#N;HNXZMUVHSKAHEV-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327597;MM327597;C#CC(CO)OC(C)C#N;RGEVNQTUEAWPPB-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327598;MM327598;COC1(C)CC1C(F)C=O;SBUXIOZJFZPVQB-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327599;MM327599;C#CC(OC)OC(C)C=C;GXVXSWMFOYQVPC-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327600;MM327600;COC1(C)CC1C(F)C#N;CHKRKXZCNWJZRC-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327601;MM327601;C#CC(CC)CN(C)C=O;BCMCNAXTYJHHLB-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327602;MM327602;CCC1(C)CC1N(C)C=N;UPRHEYFTVBMMBH-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327603;MM327603;C#CC(CO)CN(N)C=N;DGLUDKODOBUZDL-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327604;MM327604;CCC1(C)CC1N(C)C=O;JSYBEJYWXBGRRG-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327605;MM327605;C#CC#CC=CCCCO;DGSFRBUXWRXGKS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327606;MM327606;CN(C=N)C1CC1(C)CN;VDYZZJNEKKQSTE-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327607;MM327607;C#CC(CC)CN(C)N=C;CMBNYLAJWQCTQI-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327608;MM327608;CN(C=O)C1CC1(C)CN;LSPNNKQTDZSSMC-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327609;MM327609;CCC1=CC=C(CO)CC1;OGWRDWOMPDGEDV-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327610;MM327610;CN(C=N)C1CC1(C)CO;ILCZMWZIABDILU-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327611;MM327611;OCC1=CC=C(CO)CC1;YJUTUKLGBHGEFK-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327612;MM327612;CN(C=O)C1CC1(C)CO;HBGUYCNBVLDEPP-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327613;MM327613;C#CC(CN(C)C=N)NC;SYGCAVOLXMDCIS-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327614;MM327614;CN(C=O)C1CC1(C)CF;JUDHFLBEUCRPSM-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327615;MM327615;C#CC(CN(C)C=N)OC;NLGKAIPGZMEZKB-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327616;MM327616;CCC1(C)CC1N(N)C=N;IHIFOGQYQDODIB-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327617;MM327617;C#CC(CN(C)C=O)OC;KXBRBKNANAFMBC-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327618;MM327618;CCC1(C)CC1N(N)C=O;TWTSGJGVYNEZQO-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327619;MM327619;C#CC(CN)NN(C)C=N;SZAILWYTTLRLFY-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327620;MM327620;CC1(CN)CC1N(O)C=N;VKLUUKOZFCXLDS-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327621;MM327621;C#CC(CN)NN(C)C=O;HXGSTYUIIGLHAF-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327622;MM327622;CCC1(N)CC1N(C)C=N;DYQVMRZSMDCUOQ-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327623;MM327623;OCC1=CC=C(CF)CC1;ZCKWUTRIHXTFFW-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327624;MM327624;CCC1(N)CC1N(C)C=O;JVUZGZLWQOTGKN-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327625;MM327625;C#CC(CO)ON(C)C=N;MKNINSMWJLCBNU-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327626;MM327626;CN(C=N)C1CC1(N)CN;KKXQTCOJVDKZSN-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327627;MM327627;C#CC(CO)ON(C)C=O;AQKVGKHCUZUNJG-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327628;MM327628;C#CC(CF)ON(C)C=N;VKIANLXSVJJYLR-UHFFFAOYSA-N;144.15;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327629;MM327629;CN(C=O)C1CC1(N)CN;WDAZCZJSQQVAQF-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327630;MM327630;CN(C=O)C1CC1(N)CO;NJMMGRFGHMEZQT-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327631;MM327631;C#CC(C)CC(C#C)CC;NNKGUPFHEHPRDE-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327632;MM327632;CCC1(O)CC1N(C)C=N;ZJAWAYSWLXYGDF-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327633;MM327633;C#CC(C)CC(C#C)CN;WQLPQINQWHQPHP-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327634;MM327634;CCC1(O)CC1N(C)C=O;BRFGZRDRNFLEBQ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327635;MM327635;C#CC(C)CC(C#C)CF;PRSUXDUSJUIDLA-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327636;MM327636;CN(C=O)C1CC1(O)CN;JLPSYZPFQFXXPA-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327637;MM327637;C#CC(N)CC(C#C)CC;LUKINFKXPJYCIN-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327638;MM327638;C#CC(N)CC(C#C)CN;RTCGRDACBMQTRJ-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327639;MM327639;CN(C=O)C1CC1(O)CO;QDZYUPDDJJWSIJ-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327640;MM327640;C#CC(O)CC(C#C)CC;GYALUVWLWASANS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327641;MM327641;CCC1(O)CC1N(N)C=N;KKOYSQVAXKEPNR-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327642;MM327642;C#CC(O)CC(C#C)CF;SGYGKZLLLFFBFU-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327643;MM327643;CC=C1CC=C(CO)C1;SOXWBIILIYADLE-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327644;MM327644;C#CC(F)CC(C#C)CC;KQOXIODOAXORMX-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327645;MM327645;N=CN(O)C1CC1(O)CN;NDHDWNVLYPRRTK-UHFFFAOYSA-N;145.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327646;MM327646;CCC1(F)CC1N(C)C=N;CEHZULKRQHJNKS-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327647;MM327647;C#CC(F)CC(C#C)CN;VIDITNRWQDFTPR-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327648;MM327648;C#CC(F)CC(C#C)CO;ZEBQBYZPZYZUDH-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327649;MM327649;CCC1(F)CC1N(C)C=O;AAQCUJGILHYDNZ-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327650;MM327650;C#CC(F)CC(C#C)CF;LXPQGFUACLGABZ-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327651;MM327651;CN(C=O)C1CC1(F)CN;AUGQSWZUIYYMLG-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327652;MM327652;C#CC(C)CC(C#C)NC;JMDJDHHLESZGQF-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327653;MM327653;CCC1(F)CC1N(N)C=N;BNNSTGSBZOGROQ-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327654;MM327654;C#CC(F)CC(C#C)NC;ZLLZGEMVFJISEF-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327655;MM327655;N=CN(N)C1CC1(F)CO;XMPCZPVJIQOJJJ-UHFFFAOYSA-N;147.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327656;MM327656;C#CC(C)CC(C#C)OC;WRZZJAPDEOJDOG-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327657;MM327657;C=NN(C)C1CC1(C)CC;BOTXRCHUXUAIDU-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327658;MM327658;C#CC(F)CC(C#C)OC;SSQNFYZTZGKSGD-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327659;MM327659;C=NN(C)C1CC1(C)CN;PNHJHSBAHCWNSU-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327660;MM327660;C#CC(C)OC(C#C)CC;WGTPBZPCZJQKTO-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327661;MM327661;OCC1=CCC(=CF)C1;YDXRIWZXMITPSA-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327662;MM327662;C#CC(C)OC(C#C)CF;QMQOPAFVHRTIES-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327663;MM327663;C=NN(C)C1CC1(C)CF;WIKHUIISRXSCBL-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327664;MM327664;C#CC(C)OC(C#C)OC;COCIPIXFHUQGLC-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327665;MM327665;C=NN(C)C1CC1(N)CC;KUQKSRCOSQGTNL-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327666;MM327666;C=CC(C=C)CC(C)CC;SIIHLGRMCDJKBQ-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327667;MM327667;C=NN(C)C1CC1(N)CN;JRLDDGLRUULETP-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327668;MM327668;C=CC(C=C)CC(C)CN;LLGAUDHDRZKUAB-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327669;MM327669;CC=C1C=C(CO)CC1;QBRKCULRRVSKQL-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327670;MM327670;COC1=CC=C(CO)CC1;CLSRFBSLOFPQRU-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327671;MM327671;C=NN(C)C1CC1(F)CC;VQSMLSJSDMCKMN-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327672;MM327672;C=CC(C=C)CC(C)CF;OGUZIPWPSXLPOW-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327673;MM327673;C=NN(C)C1CC1(F)CN;VHDHXMHBXXKDQL-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327674;MM327674;C=CC(C=O)CC(C)CC;ZIUMCABPIIRFNX-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327675;MM327675;CNC1(C)CC1N(C)C=N;YAVOJLIRQAZPHX-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327676;MM327676;C=CC(C#N)CC(C)CC;DKDWVCBEOINNPO-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327677;MM327677;CNC1(C)CC1N(C)C=O;BJSJTGAWXZBRFX-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327678;MM327678;C=CC1=CC=C(CO)CC1;DXXNYKQGYHCPLV-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327679;MM327679;CNC1(C)CC1N(N)C=N;CRPNSWFDLMJUMC-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327680;MM327680;O=CC1=CC=C(CO)CC1;YZQLSRPDHODSIW-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327681;MM327681;CNC1(C)CC1N(N)C=O;UMGWTPMGTOABFU-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327682;MM327682;C=CC(C#N)CC(C)CF;BIUVLSZSPRUIEQ-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327683;MM327683;C=NN(C)C1CC1(C)NC;ZPMOFCFJIDDMEU-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327684;MM327684;CCC(C)CC(C#N)C#N;VZCFAXMVRIONBF-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327685;MM327685;COC1(C)CC1N(C)C=N;VMFTULCPUHWUMA-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327686;MM327686;C=CC(C=C)CC(N)CC;FSCQVDNWJYCLID-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327687;MM327687;COC1(C)CC1N(C)C=O;OMPSYLLLITUXJL-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327688;MM327688;C=CC(C=C)CC(N)CF;NWSWMDYZOODZOS-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327689;MM327689;COC1(C)CC1N(N)C=O;ANBPKNBPJUERLJ-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327690;MM327690;N#CC1=CC=C(CO)CC1;ALPXWLIELXZZPR-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327691;MM327691;C=NN(C)C1CC1(C)OC;UDALWFSNMNSBIO-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327692;MM327692;C=CC(C=C)CC(O)CF;IOCKQYKDAHPJHI-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327693;MM327693;CCC1(C)NC1C(C)C#N;CPNTWCKQRNONPP-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327694;MM327694;C=CC(C=O)CC(O)CC;IXZUNRRZYKSOTI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327695;MM327695;C=CC(C)C1NC1(C)CN;RLCOUUOTKOLZOH-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327696;MM327696;C=CC(C#N)CC(O)CC;IOLTZGBLABPIKV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327697;MM327697;OCC1=CC(=CF)CC1;UOOLNPVARJXKTP-UHFFFAOYSA-N;128.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327698;MM327698;C=CC(C=O)CC(O)CO;ZYXVYRLJRJHMRA-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327699;MM327699;CC(C#N)C1NC1(C)CF;VQHPFEXAJFZPDN-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327700;MM327700;C=CC(C#N)CC(O)CF;XRYWAHSTCDSBBI-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327701;MM327701;C=CC(N)C1NC1(C)CC;VFTHGUPNRNFSIN-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327702;MM327702;CCC(O)CC(C#N)C#N;QQCZPRYHQFAYAV-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327703;MM327703;C=CC(N)C1NC1(C)CN;WTKSAKPQMHIORU-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327704;MM327704;N#CC(C=O)CC(O)CO;RCTDNVWZHVYXHC-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327705;MM327705;C=CC(N)C1NC1(C)CO;SMGRZSKSCFGIIN-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327706;MM327706;N#CC(C=O)CC(O)CF;IXFKQKCWYAEHEC-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327707;MM327707;C=CC(O)C1NC1(C)CN;FNGWPDAHIGQNIB-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327708;MM327708;C=CC(C=C)CC(F)CC;XYHKTRSFLRVUAE-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327709;MM327709;CC(=O)C(F)CN(C)C=O;GJGDERVPHBAXMX-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327710;MM327710;C=CC(C=C)CC(F)CN;MFVAOMNPMVGCSY-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327711;MM327711;C=CC(O)C=C(C)C(C)C;WRHIVPLWEXBZES-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327712;MM327712;C=CC(C=C)CC(F)CO;XYBDRKSSPABLJW-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327713;MM327713;C=CC(F)C1NC1(C)CC;INKQMNXOKROEIK-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327714;MM327714;C=CC(C#N)CC(F)CC;KSSOIDFKURLGRM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327715;MM327715;C=CC(F)C1NC1(C)CN;PVZPGMPDPJMETC-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327716;MM327716;C=CC(C=O)CC(F)CO;WPQAGUHMVDXVAF-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327717;MM327717;C=C(C=C(C)C(N)=O)CC;OGXMDMMZUNALIC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327718;MM327718;C=CC(C#N)CC(F)CO;HAFGINQXJGFFNH-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327719;MM327719;CC=C(C)C=C(C)C(N)=O;YUMVPRZDEXXHHK-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327720;MM327720;C=CC(C#N)CC(F)CF;DUNQRZOVABSMAE-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327721;MM327721;CC(O)C=CC(C)C=CF;SGBRTLLBFNZRAJ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327722;MM327722;CCC(F)CC(C=O)C=O;CPGOUCPPTFGXIC-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327723;MM327723;C=CC(C)C1OC1(C)CC;VOFAHDUZOUEVKY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327724;MM327724;N#CC(C=O)CC(F)CO;GPPYFIYYNBMOCK-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327725;MM327725;CCC1(C)OC1C(C)C=O;HXOGJDOJUDZVSZ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327726;MM327726;C=CC(C#N)CC(C)NC;YSNXYOZOADIBIN-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327727;MM327727;CCC1(C)OC1C(C)C#N;HXLTYPYGRKCLSO-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327728;MM327728;CNC(C)CC(C=O)C=O;BMSMYHAVICCOCT-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327729;MM327729;C=CC(C)C1OC1(C)CN;IPWQZADUUBVNFC-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327730;MM327730;C=CC(C=C)CC(C)OC;SOKNNIZYVDWYFR-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327731;MM327731;C=CC(C)C1OC1(C)CO;FQPUOLDVZKYQSN-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327732;MM327732;C=CC(C=O)CC(C)OC;UYPPTJJZTUOUCH-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327733;MM327733;CC(C=O)C1OC1(C)CO;ICYQSBQHURMYBS-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327734;MM327734;C=CC(C#N)CC(C)OC;XTTVFTLVIQOHMY-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327735;MM327735;COC(C)CC(C=O)C=O;MLLMXOHZFDEWNT-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327736;MM327736;CC(C#N)C1OC1(C)CF;KHTZPTXSJNSTRE-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327737;MM327737;C=CC(C=C)NC(C)CC;ALRCQMFHULVERX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327738;MM327738;C=CC(N)C1OC1(C)CC;HWCIJCNXZZNPQE-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327739;MM327739;C=CC(C=C)NC(C)CN;VPOWGVBJKLFGDE-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327740;MM327740;C=CC(N)C1OC1(C)CN;CUSFPYTYLQDELL-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327741;MM327741;C=CC(C#N)NC(C)CC;VZFFMLLUKGFNTR-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327742;MM327742;C=CC(N)C1OC1(C)CO;JQVRYTSBAMWMQW-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327743;MM327743;C#CC1=CC=C(CO)CC1;VPCBFZUQPJPYMB-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327744;MM327744;C=CC(N)C1OC1(C)CF;DXFITGIQULQPQL-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327745;MM327745;O=CC1=CCC(CO)=CC1;ZBKSHBPGKAXGSE-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327746;MM327746;C=CC(O)C1OC1(C)CC;MDHMAKHRYAQCEV-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327747;MM327747;C=CC(C=C)OC(C)CC;KHZOUKCWAFSKLF-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327748;MM327748;CCC1(C)OC1C(O)C=O;VCNROLSDMLKHBC-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327749;MM327749;C=CC(C=C)OC(C)CN;VOOAWCQKQNXJSB-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327750;MM327750;CCC1(C)OC1C(O)C#N;XSOIZHLMXTYLJT-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327751;MM327751;C=CC(C=C)OC(C)CO;GGLWSNMGONZBRZ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327752;MM327752;C=CC(O)C1OC1(C)CN;ZJOIAQLVZMJCPJ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327753;MM327753;C=CC(C=C)OC(C)CF;PSETWGMZQASGSY-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327754;MM327754;C=CC(O)C1OC1(C)CO;GPJRPUYSRLUTQO-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327755;MM327755;C=CC(C=O)OC(C)CC;OXJQSHKSBHMUNX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327756;MM327756;CC1(CO)OC1C(O)C=O;GUDQUMJAEZMUNX-UHFFFAOYSA-N;146.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327757;MM327757;C=CC(C#N)OC(C)CC;VASVEODCIWPHOI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327758;MM327758;CC1(CO)OC1C(O)C#N;TXHVQHHFPOKVCW-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327759;MM327759;C=CC(C#N)OC(C)CF;FTAFGTSODYAILP-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327760;MM327760;C=CC(O)C1OC1(C)CF;KTMBSVCIPVLGLS-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327761;MM327761;CC(CO)OC(C=O)C=O;CBYRTUKHCWEAPJ-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327762;MM327762;CC1(CF)OC1C(O)C=O;XBDUZOLIXIVFAC-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327763;MM327763;CC(CO)OC(C#N)C=O;YHGOCILBMSBTPY-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327764;MM327764;CC1(CF)OC1C(O)C#N;GLIVTGONFAVJCO-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327765;MM327765;CC(CF)OC(C=O)C=O;DFANZPQVFZXCPD-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327766;MM327766;C=CC(F)C1OC1(C)CC;XWYSLSVBYIGYJR-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327767;MM327767;C=CC(C=C)OC(C)OC;BPGDHAINBXZBIU-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327768;MM327768;C=CC(C=C)CN(C)CC;AGTJJNLDPXZDJL-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327769;MM327769;CCC1(C)OC1C(F)C=O;PWSDRNUNFLRYJJ-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327770;MM327770;C=CC(C=O)CN(C)CC;ZVAYWVKTVDHZCC-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327771;MM327771;CCC1(C)OC1C(F)C#N;GEAZLQGSWUONOB-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327772;MM327772;C=CC(F)C1OC1(C)CN;IBFSAUJPCZFELM-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327773;MM327773;C=CN(C=N)CC(C)CC;NWMCDBVIIMPERO-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327774;MM327774;CC1(CO)OC1C(F)C=O;OYRSIDFFBDFWAU-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327775;MM327775;C=CN(C=O)CC(C)CC;YNDSCDFSQHYYNR-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327776;MM327776;C=CC(F)C1OC1(C)CF;CXOMRZZEBYIUEZ-UHFFFAOYSA-N;148.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327777;MM327777;C=CN(C=O)CC(C)CO;MEHPJLWHGAWBCP-UHFFFAOYSA-N;143.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327778;MM327778;CC1(CF)OC1C(F)C=O;QMTYKGPAWJGSKR-UHFFFAOYSA-N;150.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327779;MM327779;CCC(C)CN(C=N)C=N;GFEVRGQYNROSLJ-UHFFFAOYSA-N;141.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327780;MM327780;CC1(CF)OC1C(F)C#N;ZJXYVIKPRNROBA-UHFFFAOYSA-N;147.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327781;MM327781;CC(CN)CN(C=N)C=N;NOWNVUNCLURUGY-UHFFFAOYSA-N;142.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327782;MM327782;CC=CC(O)C=CC(C)C;JHAVJUJWMDIKNF-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327783;MM327783;CCC(C)CN(C=N)C=O;RIOZYFJENFNKIO-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327784;MM327784;CCC1(C)CN1C(C)C#N;DDBDXDCODSTCPA-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327785;MM327785;CC(CN)CN(C=N)C=O;NIKZAHHFALXSRS-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327786;MM327786;C=CC(C)N1CC1(C)CN;VOPVGONAKXJBRQ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327787;MM327787;C#CC1=CCC(CO)=CC1;ZLRNJYYXYHJNIM-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327788;MM327788;CC(C)=CC=C(C)C(N)=O;UALZMMWPLKKGDS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327789;MM327789;CC(CF)CN(C=N)C=O;LRWXCEYZGBLLNF-UHFFFAOYSA-N;146.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327790;MM327790;C=NN=C(C)CC(=O)OC;CUFDZQZBGXMBDU-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327791;MM327791;CCC(C)CN(C=O)C=O;BCRIAKCKTMJDHK-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327792;MM327792;C=C(CO)C(C)CC(C)C;ZOEWNTLPVYWQSK-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327793;MM327793;CC(CN)CN(C=O)C=O;CAOJLOMTGIZRRX-UHFFFAOYSA-N;144.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327794;MM327794;C=CC(C)N1CC1(C)CF;OYYZQFLBQSHFNK-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327795;MM327795;CCC1(C)CN1N(C)C=N;USEKRWDSCDPOEZ-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327796;MM327796;C=CN(C=N)CC(N)CN;GVOKYVKFLFTRNE-UHFFFAOYSA-N;142.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327797;MM327797;CCC1(C)CN1N(C)C=O;FYAQGVAIJGITHJ-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327798;MM327798;C=CN(C=N)CC(N)CO;DAZLOUXXQHJJGZ-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327799;MM327799;CN(C=N)N1CC1(C)CO;CYFIRBLFQMLHGM-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327800;MM327800;C=CN(C=N)CC(N)CF;LDVRMEQBYZEIQE-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327801;MM327801;C#CC(C)C1CC1(C)CC;BHUWIFOXZXEHRT-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327802;MM327802;C=CN(C=O)CC(N)CN;UOPFIUAAAPHISX-UHFFFAOYSA-N;143.19;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327803;MM327803;C#CC(C)C1CC1(C)CN;LYQBPBLURFQXKB-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327804;MM327804;N=CN(C=N)CC(N)CN;PIYIRKBJSTVTFR-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327805;MM327805;C=C(CO)C(C)CC(C)F;VCCXKYMIEOXPTL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327806;MM327806;N=CN(C=N)CC(N)CO;DOXZAFXTSVUAGE-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327807;MM327807;C#CC(C)C1CC1(C)CF;ZMPIXUWTXWFENX-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327808;MM327808;N=CN(C=N)CC(N)CF;IQBOTFRTIGHXOA-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327809;MM327809;C#CC(N)C1CC1(C)CC;KOJYPIIWSOXXQO-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327810;MM327810;CCC(N)CN(C=N)C=O;DWZDINQYWRBJJT-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327811;MM327811;C#CC(N)C1CC1(C)CN;MEFSLKUOOBRWQX-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327812;MM327812;N=CN(C=O)CC(N)CN;DJXLOEYRCNTKBF-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327813;MM327813;C#CC(N)C1CC1(C)CO;PPSIIUGJXBKTDG-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327814;MM327814;CCC(N)CN(C=O)C=O;RWUJQNFXKUOICN-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327815;MM327815;C#CC(O)C1CC1(C)CC;AHWGABRGHJZURW-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327816;MM327816;NCC(N)CN(C=O)C=O;CBJYLPDQWYRNKU-UHFFFAOYSA-N;145.16;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327817;MM327817;C#CC(O)C1CC1(C)CN;JVYWEHBFNRAHRB-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327818;MM327818;NC(CO)CN(C=O)C=O;JYPDVGUARFCFTF-UHFFFAOYSA-N;146.15;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327819;MM327819;C#CC(O)C1CC1(C)CO;AYYDMKGECWVOJW-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327820;MM327820;C=CN(C=N)CC(O)CC;WBGXCYRLWWUHFV-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327821;MM327821;C#CC(O)C1CC1(C)CF;FFUKPNZHSLWRKW-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327822;MM327822;C=CN(C=N)CC(O)CN;OKXUXFGTWVCBPX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327823;MM327823;C#CC(F)C1CC1(C)CC;UPLCLKIJARKZMF-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327824;MM327824;C=CN(C=N)CC(O)CO;CAMSJRMIWUGQPF-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327825;MM327825;C#CC(F)C1CC1(C)CO;JOAYGWAJEXSVCF-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327826;MM327826;C=CN(C=N)CC(O)CF;XAHJRAMKNJHRFY-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327827;MM327827;C#CC(C)C1CC1(N)CC;BCBYOQQBRZBBPO-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327828;MM327828;C=CN(C=O)CC(O)CN;RHEVDIRUVGMXHK-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327829;MM327829;C=CN(C=O)CC(O)CO;PKCADCKZLPPQEW-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327830;MM327830;C#CC(C)C1CC1(N)CN;CFLPWAWVXMCFJG-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327831;MM327831;N=CN(C=N)CC(O)CO;OCYKKUMENZGHRR-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327832;MM327832;C#CC(C)C1CC1(N)CO;RRELOUVKMYRNAK-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327833;MM327833;N=CN(C=N)CC(O)CF;AETCWMGAAGWIPB-UHFFFAOYSA-N;147.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327834;MM327834;C#CC(N)C1CC1(N)CC;SIAKDSLGWDHFEV-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327835;MM327835;CC(C)=C(C)CO;CKWZHPCVVYXYEZ-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327836;MM327836;C#CC(N)C1CC1(N)CN;JUENXOSZAQMNDP-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327837;MM327837;N=CN(C=O)CC(O)CN;QCBPEFJBBSKHRL-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327838;MM327838;C#CC(N)C1CC1(N)CO;VVNNKFQRMQPMSN-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327839;MM327839;O=CN(C=O)CC(O)CO;IAROFJILEHQHRA-UHFFFAOYSA-N;147.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327840;MM327840;C#CC(N)C1CC1(N)CF;SKKVBJCCLKVCGB-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327841;MM327841;O=CN(C=O)CC(O)CF;HNRJOQGHVMJJSZ-UHFFFAOYSA-N;149.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327842;MM327842;C#CC(O)C1CC1(N)CC;XQRPNAFQDZHCKM-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327843;MM327843;C=CN(C=N)CC(F)CC;SGEPWVRZZIIJAZ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327844;MM327844;C#CC(O)C1CC1(N)CN;SPXIQKQSXCEKFH-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327845;MM327845;C=CN(C=N)CC(F)CF;QWRCNGGDHXWONI-UHFFFAOYSA-N;148.16;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327846;MM327846;C#CC(O)C1CC1(N)CO;XUHCCPOLGRIQBW-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327847;MM327847;C=CN(C=O)CC(F)CC;BDZFJHGHPIVRCH-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327848;MM327848;C#CC(F)C1CC1(N)CN;XOOVJRJZPOGKPO-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327849;MM327849;N=CN(C=N)CC(F)CO;OWHZBCMBTWALFS-UHFFFAOYSA-N;147.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327850;MM327850;C#CC(F)C1CC1(N)CO;HIMODZIEFUMNOB-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327851;MM327851;CNC(C)CN(C=N)C=N;POLLOMUGHQSXGC-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327852;MM327852;C=C(CC)C(=C)CC(N)=O;YSZACEULNXQQPQ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327853;MM327853;CNC(C)CN(C=N)C=O;PFZBMJZUUVTUFZ-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327854;MM327854;C#CC(C)C1CC1(O)CN;LEPIRDOQECIIDO-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327855;MM327855;CNC(C)CN(C=O)C=O;JFCGWFYSDMHMTG-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327856;MM327856;C#CC(C)C1CC1(O)CO;WRGVLEWBBZTQOR-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327857;MM327857;COC(C)CN(C=N)C=O;URQDAPBXYBFQMR-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327858;MM327858;C=NN(C=N)CC(C)CC;ZPDIAYBCCCRUDR-UHFFFAOYSA-N;141.22;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327859;MM327859;C#CC(N)C1CC1(O)CC;SHQLKGXABODVOV-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327860;MM327860;CC=CCCC(N)=O;UKYLTPHSUBKYSC-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327861;MM327861;C#CC(N)C1CC1(O)CN;VZHLOAIZRVPWPH-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327862;MM327862;C=NN(C=O)CC(C)CC;HUXFXYQSKLDAGE-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327863;MM327863;C#CC(O)C1CC1(O)CC;TYRLGRDQSAZCGB-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327864;MM327864;C=NN(C=N)CC(N)CN;BTWBESDFFRRKRK-UHFFFAOYSA-N;143.19;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327865;MM327865;C#CC(O)C1CC1(O)CN;IWTRXZFWJGMLJT-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327866;MM327866;C=NN(C=O)CC(N)CC;IEWFEOQGLQWZCQ-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327867;MM327867;C#CC(O)C1CC1(O)CO;LDMSFZFHJCJUOP-UHFFFAOYSA-N;142.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327868;MM327868;C=NN(C=O)CC(N)CN;SPOYZAQDSAKANC-UHFFFAOYSA-N;144.18;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327869;MM327869;C#CC(O)C1CC1(O)CF;MEHYXJLRWXKRKZ-UHFFFAOYSA-N;144.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327870;MM327870;C=NN(C=O)CC(N)CO;PNKIHCGGHFQXKF-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327871;MM327871;C#CC(F)C1CC1(O)CC;UGFJQOSKSDTZKC-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327872;MM327872;CCC#CCC(C)O;CXVIEBMEWKSONY-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327873;MM327873;C#CC(F)C1CC1(O)CN;NHRXKYURDCCDOW-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327874;MM327874;CC1(C)CC1CCO;ZNCNNALLTIKKJU-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327875;MM327875;C#CC(F)C1CC1(O)CO;RYPRPQUCPJDCLH-UHFFFAOYSA-N;144.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327876;MM327876;C#CC=C(C)CCO;KQMGPULNJOFRJW-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327877;MM327877;C#CC(C)C1CC1(F)CC;OSKNFWQCPAGQEX-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327878;MM327878;C#CC(C)C1CC1(F)CN;IKULYRUGENDALU-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327879;MM327879;C=NN(C)CCC=O;KHIVGIJWEPAQCN-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327880;MM327880;C#CC(C)C1CC1(F)CF;MEAZLQUZSNGBEM-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327881;MM327881;C=NN(C=O)CC(O)CN;DVPUDWYSRKOGPR-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327882;MM327882;C#CC(N)C1CC1(F)CC;RJTYZCCPSUAAIN-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327883;MM327883;FC(F)C=NN1CC1;XOZCXXFQFACZEX-UHFFFAOYSA-N;120.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327884;MM327884;C#CC(N)C1CC1(F)CN;IQOWWBSIVAOJCO-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327885;MM327885;CC1C(C)C1CCO;DNEXYUIJJTXQMO-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327886;MM327886;C#CC(N)C1CC1(F)CO;QYURAQFRLGBMBB-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327887;MM327887;C=NN(C=N)CC(F)CF;NIEYTNSODBVVOP-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327888;MM327888;C#CC(O)C1CC1(F)CC;NXHAYUUZCQYURQ-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327889;MM327889;CC#CCC1CC1O;URBYKTJUAGOQFP-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327890;MM327890;C#CC(O)C1CC1(F)CN;JLKUYZCGICLOHN-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327891;MM327891;C=NN(C=O)CC(F)CF;ZISOYWDACHPAAY-UHFFFAOYSA-N;150.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327892;MM327892;C#CC(O)C1CC1(F)CO;XNSSQFJIOPDYNO-UHFFFAOYSA-N;144.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327893;MM327893;C=NN(C=N)CC(C)OC;WTSYASRWAVLVHU-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327894;MM327894;C#CC(F)C1CC1(F)CC;NIAWEGBTEYBPLL-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327895;MM327895;C=CN(C=N)NC(C)CN;JBRSVGZDNKADIX-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327896;MM327896;C#CC(F)C1CC1(F)CN;ADYNYDKHCGIHPV-UHFFFAOYSA-N;145.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327897;MM327897;C=CN(C=N)NC(C)CO;BAERPUMISOPVPA-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327898;MM327898;C#CC(F)C1CC1(F)CO;CDAAYCJFXYNOOL-UHFFFAOYSA-N;146.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327899;MM327899;CCC(C)NN(C=N)C=N;ZHPMQNKRQIGFGC-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327900;MM327900;C#CC(F)C1CC1(F)CF;YROMUNZMGBZHBW-UHFFFAOYSA-N;148.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327901;MM327901;CC(CN)NN(C=N)C=N;XLGFAEJYNHNJTB-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327902;MM327902;C#CC(C)C1CC1(C)NC;UTERBQTZTRXDQR-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327903;MM327903;CC(CO)NN(C=N)C=N;WWRALYGBBIGJRP-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327904;MM327904;C#CC(N)C1CC1(C)NC;XXWSKKCZJRMNDL-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327905;MM327905;CC(CN)NN(C=N)C=O;ZCNFKEBHRZJEBZ-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327906;MM327906;C#CC(O)C1CC1(C)NC;LJXZFSYBLQGEJO-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327907;MM327907;C#CC1=CCCC1O;QBHPKCKSJFKSJB-UHFFFAOYSA-N;108.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327908;MM327908;C#CC(F)C1CC1(C)NC;ZWLGPEXNVDXUPQ-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327909;MM327909;C=C(C)CC(C)C(N)=O;HODXCBDAESSJEW-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327910;MM327910;C#CC(N)C1CC1(C)OC;MSNKJQBLGCPIBF-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327911;MM327911;C=CN(C=N)OC(C)CO;HVTRXEDBNIPQNH-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327912;MM327912;C=CN(C=O)OC(C)CC;LJPADLHNKHGFEM-UHFFFAOYSA-N;143.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327913;MM327913;C#CC(O)C1CC1(C)OC;FHSLCRZTNBIEKN-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327914;MM327914;C=CN(C=O)OC(C)CO;IZQNFPJYGQNWEI-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327915;MM327915;C#CC(C)C1NC1(C)CN;XZFDAXLUDSAOLU-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327916;MM327916;C=CN(C=N)OC(C)OC;ODMJCKDXMNFMRA-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327917;MM327917;C#CC(F)C1NC1(C)CC;KMXDKNYOOQRCLY-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327918;MM327918;COC(C)ON(C=N)C=O;SCNFLGYUEJGZTA-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327919;MM327919;C#CC(F)C1NC1(C)CN;LTGXJBBWXWFSPR-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327920;MM327920;COC(C)ON(C=O)C=O;PVIAELDFBJMOGZ-UHFFFAOYSA-N;147.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327921;MM327921;C=C(CC(N)=O)C(C)=CC;YMQZDAUINVACPF-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327922;MM327922;C=CC(C)CC(C=C)C=C;DVMUGNMQJRACQF-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327923;MM327923;C#CC(C)C1OC1(C)CC;GKIJUWAGKQTQEV-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327924;MM327924;C=CC(C=C)CC(C)C=O;SXFDJWDMLXHPCL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327925;MM327925;C#CC(C)C1OC1(C)CN;WJVCUIHBOLQHHN-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327926;MM327926;C=CC(C=C)CC(C)C#N;NZHFULQWQYYDAD-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327927;MM327927;C#CC(C)C1OC1(C)CO;WDYIRAMSJSAJCH-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327928;MM327928;C=CC(C)CC(C=C)C=O;RIQUNEUFESAYFF-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327929;MM327929;C#CC(C)C1OC1(C)CF;SIFMVNAMGBQOTJ-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327930;MM327930;C=CC(C)CC(C#N)C=C;DDTYQPAGRBSDHH-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327931;MM327931;C#CC(N)C1OC1(C)CC;YRPMJCMJAIYONJ-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327932;MM327932;C=CC(C=O)CC(C)C=O;NHRSPZNKTUILPM-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327933;MM327933;C#CC(N)C1OC1(C)CN;NKXCKDJKPNSIMT-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327934;MM327934;C=CC(C#N)CC(C)C=O;LUDUCYCETHPKMX-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327935;MM327935;C#CC(N)C1OC1(C)CF;ZXCJIAGZIVCSGY-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327936;MM327936;C=CC(C=O)CC(C)C#N;RZHIEWLVVJNAAL-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327937;MM327937;C#CC(O)C1OC1(C)CC;LIDYTNREBNICLN-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327938;MM327938;C=CC(C#N)CC(C)C#N;KBGVOBZDNNJTNX-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327939;MM327939;C#CC(O)C1OC1(C)CN;SNJCXALJEKLAGD-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327940;MM327940;C=CC(C)CC(C#N)C#N;VTEUBADTHGHHKO-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327941;MM327941;C#CC(O)C1OC1(C)CO;NCBTYUMZAXBMGN-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327942;MM327942;CC(C=O)CC(C=O)C=O;PPFQMYIYZFIARP-UHFFFAOYSA-N;142.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327943;MM327943;C#CC(O)C1OC1(C)CF;PSZBKVTVUIAYLU-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327944;MM327944;C=C(CC(C)C)C(N)=O;OOOCMOATXUFYQW-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327945;MM327945;C#CC(F)C1OC1(C)CC;YQWQBKORDPAOQP-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327946;MM327946;C=CC(C=C)CC(O)C#N;WIPPJLYYBHQQHI-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327947;MM327947;C#CC(F)C1OC1(C)CN;PDMZQXNMMNULQJ-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327948;MM327948;C=CC(O)CC(C=C)C=O;HIXRXKQVBNZFKS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327949;MM327949;C#CC(F)C1OC1(C)CF;PPVIRGLNPARJCG-UHFFFAOYSA-N;146.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327950;MM327950;C=CC(C=O)CC(O)C=O;UTUSHODVUHAXNM-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327951;MM327951;C#CC(C)N1CC1(C)CN;SSJUWDCHQSVUPX-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327952;MM327952;C=CC(C=O)CC(O)C#N;RBVQNAPXTLDYPX-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327953;MM327953;CC(CO)=C(C)CC(C)F;ZUIUUAWVMNMIMD-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327954;MM327954;C=CC(C#N)CC(O)C#N;OLUUXEUKQXYYFK-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327955;MM327955;C=CC1(C)CC1C(C)CC;VDAJNQPVBHWDQL-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327956;MM327956;C=CC(O)CC(C#N)C#N;STALTCVZAPEBRS-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327957;MM327957;C=CC1(C)CC1C(C)CN;CYDWVDAXRWJLKE-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327958;MM327958;O=CC(O)CC(C=O)C=O;OJXQLWSFVKXNCE-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327959;MM327959;CC(CO)=C(C)CC(F)F;BJZOZEORBLDOLX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327960;MM327960;C=CC(F)CC(C=C)C=C;FGLWIRJJPWGWFD-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327961;MM327961;C=CC1(C)CC1C(C)CF;QHGPRNDEWQHOKM-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327962;MM327962;C=CC(C=C)CC(F)C=O;AMUJFPWUQMVYGF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327963;MM327963;CCC(C)C1CC1(C)C=O;HYCHSZWMTPBDCK-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327964;MM327964;C=CC(C=C)CC(F)C#N;MZAQLZNFFNTKOV-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327965;MM327965;CCC(C)C1CC1(C)C#N;QLFGTZHCEAMGPR-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327966;MM327966;C=CC(F)CC(C=C)C=O;KSXNYJONDRXRFM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327967;MM327967;CC=CC(=CC)CC(N)=O;RWFGIGAWLUCIPE-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327968;MM327968;C=CC(C#N)CC(F)C=O;MUCQWDKAQUDWQX-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327969;MM327969;C=CC(=CCC)CC(N)=O;RIUWLDUCAAYBDH-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327970;MM327970;C=CC(C=O)CC(F)C#N;AHKVERCNONQROW-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327971;MM327971;C=CC1(C)CC1C(N)CC;SANPKDBMTBFFLV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327972;MM327972;C=CC(F)CC(C=O)C=O;WQJKWQMHPOLLLI-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327973;MM327973;C=CC(C=C)NC(C)C#N;QJSUIQMAOOLAMB-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327974;MM327974;C=CC1(C)CC1C(N)CN;PDWBQBJOTNTYRB-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327975;MM327975;CC(=CC(C)C)C(N)=O;FCZRAAJZTGOYIC-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327976;MM327976;C=CC1(C)CC1C(N)CO;RFPQEZTUQBWAML-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327977;MM327977;CC(C#N)NC(C=O)C=O;OOAFZGCEOIWEGE-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327978;MM327978;C=C(C)C(=CC)CC(N)=O;LHCLRINGUGZFEC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327979;MM327979;CC(C=O)NC(C#N)C#N;WWIKORGVLPHHMQ-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327980;MM327980;C=CC1(C)CC1C(O)CN;YYEMPNOUBJDPQQ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327981;MM327981;C=CC(C)OC(C=C)C=C;QKJPBCBUPCDGOS-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327982;MM327982;C=CC1(C)CC1C(O)CO;RCYARLOCAUMFPH-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327983;MM327983;C=CC(C=C)OC(C)C=O;ZGHSMRAEJTXBBR-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327984;MM327984;C=CC1(C)CC1C(O)CF;IHJHIQLVWIMVTB-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327985;MM327985;C=CC(C=C)OC(C)C#N;WMJBBCDPRXECBK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327986;MM327986;CCC(O)C1CC1(C)C=O;RKXAAZXSBJMEHN-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327987;MM327987;C=CC(C)OC(C#N)C=C;SOHHGECHWXIKNM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327988;MM327988;CCC(O)C1CC1(C)C#N;YGHOIYHBERWZBV-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327989;MM327989;C=CC(C=C)CN(C)C=N;YDJNBLCRKDURBN-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327990;MM327990;CC1(C#N)CC1C(O)CO;HAVNUJBNAVJLOY-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327991;MM327991;C=CC(C=O)CN(C)C=N;SDNYTTZDTPEIEO-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327992;MM327992;CC1(C#N)CC1C(O)CF;NSXGLDMRFLOLHL-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327993;MM327993;CC(C)(C)CC1CC1O;IRRCFDDFWXSDRQ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327994;MM327994;C=CC1(C)CC1C(F)CC;DBMJZHNPQXYZFZ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327995;MM327995;CN(C=N)CC(C#N)C=O;DYRWKQWNFFNBRG-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327996;MM327996;C=CC1(C)CC1C(F)CN;PMQMIIFFHLLCJN-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327997;MM327997;C=CC(C=C)CN(N)C=O;WVZZBQFPBMSQIC-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327998;MM327998;C=CC1(C)CC1C(F)CF;MUCKFGCJFZYFEJ-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM327999;MM327999;C=CC(C=C)CN(O)C=O;IJIMBFRWNYABTQ-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328000;MM328000;CCC(F)C1CC1(C)C#N;YKHROOAVGWDFIW-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328001;MM328001;C=CC(C#N)CN(C)N=C;HTQQGWWNUUBASR-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328002;MM328002;CC1(C#N)CC1C(F)CO;LHFKXGKTFSLFMP-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328003;MM328003;C=CC(C=O)NN(C)C=N;SYQGXQVJKPOJLN-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328004;MM328004;CC1(C=O)CC1C(F)CF;SGXCSPIPAWSQDO-UHFFFAOYSA-N;148.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328005;MM328005;CCCC#CCC(C)O;BKGZMBTUPJVTIZ-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328006;MM328006;CC1(C#N)CC1C(F)CF;WNFDSBKEJOQOMN-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328007;MM328007;C=CC(C#N)NN(C)C=O;KWGDZLOHXOHWNW-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328008;MM328008;C=CC1(N)CC1C(C)CC;LSNWBFDGJAYJRL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328009;MM328009;CN(C=N)NC(C#N)C=O;PGRKPBZPMINVSA-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328010;MM328010;C=CC1(N)CC1C(C)CN;GWNKWIYKFYRHSW-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328011;MM328011;CN(C=O)NC(C=O)C=O;JXIMFPBDRFOFLV-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328012;MM328012;C=CC1(N)CC1C(C)CO;QBPQHYYYSIQCAV-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328013;MM328013;CN(C=O)NC(C#N)C=O;PVLJWHSXPZDYRF-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328014;MM328014;C=CC1(N)CC1C(N)CC;PVNBQYDOAMHLGV-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328015;MM328015;C=CC(C=C)ON(C)C=O;CVNDGZLMUSTKEZ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328016;MM328016;C=CC1(N)CC1C(N)CN;LCYKPGVRZPMKME-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328017;MM328017;C=CC(C=O)ON(C)C=N;UTOYRZOTTKSLQJ-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328018;MM328018;C=CC1(N)CC1C(O)CC;CMZXTLOVLPNKAE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328019;MM328019;C=CC(C)CN(C=C)C=O;DQJCBHGQACIUJO-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328020;MM328020;C=CC(C)CN(C=N)C=O;QYJHUEUHYIZHIN-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328021;MM328021;C=CC1(N)CC1C(O)CN;MICWCGJTLQPJNB-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328022;MM328022;N#CCNN=CC(F)F;GJSQUFGJSUTSDF-UHFFFAOYSA-N;133.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328023;MM328023;C=CC1(N)CC1C(O)CO;YYHXGVWZHOKVNP-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328024;MM328024;CC(C=O)CN(C=O)C=O;UAVMMKYFJMAVQC-UHFFFAOYSA-N;143.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328025;MM328025;C=CC1(N)CC1C(O)CF;CWEMCZDZEICQCE-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328026;MM328026;C=CC(N)CN(C=C)C=O;MRZWEQNMTFCRRC-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328027;MM328027;C=CC1(N)CC1C(F)CC;VKTARMRPHHRAJK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328028;MM328028;C=CC1(N)CC1C(F)CN;MUNWELXGOSEYMZ-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328029;MM328029;C=CC(N)CN(C=N)C=N;MUJWETQQZDFPEK-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328030;MM328030;C=CC1(N)CC1C(F)CO;CJLUCTDYYKEULH-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328031;MM328031;C=CC(N)CN(C=N)C=O;OJSHQMLFQCOUNJ-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328032;MM328032;C=CC(N)CN(C=O)C=O;AFPOCUSUUJPDGW-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328033;MM328033;C=CC1(N)CC1C(F)CF;MAPAQDOKOUDBTH-UHFFFAOYSA-N;147.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328034;MM328034;C=CC(O)CN(C=C)C=N;MJWYQBWQJZXAHJ-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328035;MM328035;C#CC(=CC(C)O)C(=C)C;FEXFOHUYUJHEFX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328036;MM328036;C=CN(C=N)CC(O)C=O;ZDPYNOHSFVDXMJ-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328037;MM328037;C=CC1(O)CC1C(C)CO;QIMUDGZRQQXZDL-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328038;MM328038;C=CN(C=N)CC(O)C#N;QRRDBRWHMLQOII-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328039;MM328039;C=CC1(O)CC1C(C)CF;PROOWMIIOIDKEO-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328040;MM328040;C=CC(O)CN(C=C)C=O;PDXIAEDLLVNPON-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328041;MM328041;CCC(C)C1CC1(O)C=O;JSGGAGYGJBECNH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328042;MM328042;C=CN(C=O)CC(O)C=O;XIXOQPBIKZFNKR-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328043;MM328043;CCC(C)C1CC1(O)C#N;JQFFNBRSUISHAM-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328044;MM328044;C=CN(C=O)CC(O)C#N;AGIZYPNJPRFYGK-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328045;MM328045;CC(CO)C1CC1(O)C=O;SXWAKUYDHKQPQW-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328046;MM328046;N=CN(C=N)CC(O)C=O;FBXWJXBFHJPWAH-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328047;MM328047;CC(CO)C1CC1(O)C#N;OTBIRIKJEMRKSY-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328048;MM328048;N#CC(O)CN(C=N)C=N;OCFYYTZISCUDDG-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328049;MM328049;C=CC1(O)CC1C(N)CC;POJIVHPKAVRUCF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328050;MM328050;CC1C(CCO)C1(C)C;JAOVNNVFSCXXID-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328051;MM328051;C=CC1(O)CC1C(N)CN;MNXGJYDWVSDYDY-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328052;MM328052;C=CC(O)CN(C=O)C=O;MQEXTWDVRRQFKR-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328053;MM328053;C=CC1(O)CC1C(N)CO;YFJPDVLAQCXJBP-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328054;MM328054;O=CC(O)CN(C=O)C=O;MJJBHTACZANRRD-UHFFFAOYSA-N;145.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328055;MM328055;C=CC1(O)CC1C(N)CF;PFPHVUVAUOBCPE-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328056;MM328056;N#CC(F)CN(C=N)C=O;SVVHJSYZPFHMEN-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328057;MM328057;C=CC1(O)CC1C(O)CC;RCVYKXMMKKDQFG-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328058;MM328058;C=CC(C)C(C)C(N)=O;JOBCOLYYXVBIPW-UHFFFAOYSA-N;127.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328059;MM328059;C=CC1(O)CC1C(O)CN;MNLJGTQXCBBTAZ-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328060;MM328060;C=C(CCCC)C(N)=O;GASMGDMKGYYAHY-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328061;MM328061;C=CC1(O)CC1C(O)CO;OIYWIJPHYOYVCX-UHFFFAOYSA-N;144.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328062;MM328062;CC=CCC(C)C(N)=O;YJFDVVPOCPBPPO-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328063;MM328063;C=CC1(O)CC1C(O)CF;PNGTXMQVZSZOBK-UHFFFAOYSA-N;146.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328064;MM328064;C=NN(C=O)CC(F)C#N;LYWXDCUZGODUSY-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328065;MM328065;O=CC1(O)CC1C(O)CO;YTHNZYPHMSKLKN-UHFFFAOYSA-N;146.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328066;MM328066;C=CN(C=N)NC(C)C=O;MGMBGFGNIKAPGI-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328067;MM328067;C=CC1(O)CC1C(F)CC;QAABETCVMLRGPA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328068;MM328068;C=CC(C)NN(C=N)C=N;DLSOPQXSSBPSOO-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328069;MM328069;C=CC1(O)CC1C(F)CN;CCCHIGYLHBBBTL-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328070;MM328070;CC(C=O)NN(C=N)C=N;UUKNULZSRMZSGA-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328071;MM328071;C=CC1(O)CC1C(F)CF;SCTCERQAUYKPJP-UHFFFAOYSA-N;148.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328072;MM328072;CCCC=C(C)C(N)=O;ZXQOBTQMLMZFOW-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328073;MM328073;CCC(F)C1CC1(O)C=O;QZJLALVTSRXUBZ-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328074;MM328074;C=CN(C=N)OC(C)C=O;DNIJZOTYIKFFDU-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328075;MM328075;C=CN(C=O)OC(C)C#N;SNJFRODDODGPMT-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328076;MM328076;CCC(F)C1CC1(O)C#N;OSBZAUQQLHXYTB-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328077;MM328077;C=CC#CC1CC(O)C1;AYZSJJSOEVIDFH-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328078;MM328078;O=CC1(O)CC1C(F)CF;ZOAPOFZYDNWFDR-UHFFFAOYSA-N;150.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328079;MM328079;C#CC(C)CC(C=C)C=C;IMYGXADRNKPHBA-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328080;MM328080;N#CC1(O)CC1C(F)CF;PMNRVOFKVYXCST-UHFFFAOYSA-N;147.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328081;MM328081;C#CC(C)CC(C=C)C=O;ZUPWDMPDRWTBJL-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328082;MM328082;C=CC1(F)CC1C(C)CC;WJTPEEIEBIZFRJ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328083;MM328083;C#CC(C)CC(C#N)C=C;BLYBYIQKTWURDI-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328084;MM328084;C=CC1(F)CC1C(C)CN;HBZAIUUREYROPJ-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328085;MM328085;C#CC(C)CC(C#N)C#N;VDUBGEMPNPWTGF-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328086;MM328086;C=CC1(F)CC1C(C)CO;NMSBHIIDLXCJPL-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328087;MM328087;C#CC(O)CC(C=C)C=C;QCEBMRRQUQPVAQ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328088;MM328088;C=CC1(F)CC1C(C)CF;HICUOLQRBIYLDJ-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328089;MM328089;C#CC(O)CC(C#N)C=C;PCDQPGKVHZBMPZ-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328090;MM328090;CCC(C)C1CC1(F)C#N;YRPMPXQDAMILBJ-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328091;MM328091;C#CC(F)CC(C=C)C=C;RKBJNVXLTIUGQO-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328092;MM328092;CC(CO)C1CC1(F)C=O;XZHXILDDADIOQJ-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328093;MM328093;C#CC(F)CC(C=C)C=O;GCKQDZPSHFEWME-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328094;MM328094;CC(CO)C1CC1(F)C#N;UTRXGPWJRMNXFW-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328095;MM328095;C#CC(F)CC(C#N)C#N;FDKJZVRGZBLMCL-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328096;MM328096;C=CC1(F)CC1C(N)CC;SYECCKAQMFCFGT-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328097;MM328097;CCC1(C)CC1CCO;CRHZHMLXEOWQMU-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328098;MM328098;C=CC1(F)CC1C(N)CN;CICVQSFZUBNDKH-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328099;MM328099;CC1(CO)CC1CCO;SEJCMHDCVFBXIG-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328100;MM328100;C=CC1(F)CC1C(O)CC;USQOQVBLFPWLJB-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328101;MM328101;C#CC(C)OC(C=C)C=C;RIZGLRHXGYINMZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328102;MM328102;C=CC1(F)CC1C(O)CN;LZIMGHXMDQSJSC-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328103;MM328103;C#CC(C)OC(C#N)C=C;KOSBLQOLQUPVJF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328104;MM328104;C=CC1(F)CC1C(O)CO;JUWHJMGLOPPOPT-UHFFFAOYSA-N;146.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328105;MM328105;C#CC(C)OC(C#N)C=O;MIRXWHJTHIYCFX-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328106;MM328106;C#CC(C)OC(C#N)C#N;UFUPYBBNXHTXIV-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328107;MM328107;C=CC1(F)CC1C(O)CF;YKXWZPBJLPHBIX-UHFFFAOYSA-N;148.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328108;MM328108;C#CC(C)CN(C=C)C=O;IRXKORUTIYAPRI-UHFFFAOYSA-N;137.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328109;MM328109;CCC(O)C1CC1(F)C=O;HYSUVKQNPMSSDE-UHFFFAOYSA-N;146.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328110;MM328110;C#CC(N)CN(C=C)C=N;VQYLKOGCYIUBNY-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328111;MM328111;CCC(O)C1CC1(F)C#N;KEUCQNUSJJHCEC-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328112;MM328112;C#CC(N)CN(C=N)C=N;WPQQCDVBBDXDFN-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328113;MM328113;O=CC1(F)CC1C(O)CO;ADLPTMXNIYONNH-UHFFFAOYSA-N;148.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328114;MM328114;C#CC(O)CN(C=N)C=N;BREVNWWRYPPJNT-UHFFFAOYSA-N;139.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328115;MM328115;N#CC1(F)CC1C(O)CO;MHOQOYAVMVZOQU-UHFFFAOYSA-N;145.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328116;MM328116;C#CC(O)CN(C=O)C=O;OUYRRVHEFCCCSF-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328117;MM328117;C=CC1(F)CC1C(F)CC;MFYHZDHMTMOXLG-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328118;MM328118;C#CC(F)CN(C=N)C=N;UHMOMQRHTANDIP-UHFFFAOYSA-N;141.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328119;MM328119;C=CC1(F)CC1C(F)CN;JMMQNKPWUIVWGT-UHFFFAOYSA-N;147.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328120;MM328120;C#CC(F)CN(C=N)C=O;KFRISEBERLMFEW-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328121;MM328121;C=CC1(F)CC1C(F)CO;OSZMRUQMWAVHNR-UHFFFAOYSA-N;148.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328122;MM328122;C#CC(F)CN(C=O)C=O;KVCAWASUVBVART-UHFFFAOYSA-N;143.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328123;MM328123;CCC(F)C1CC1(F)C=O;RFEOPVMOUWMKPX-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328124;MM328124;CC1(CF)CC1CCO;HWVDUQFSPSFGSX-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328125;MM328125;CCC(F)C1CC1(F)C#N;VSLGMKQAOLBLGA-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328126;MM328126;C#CC(F)CN(C=N)N=C;YBMQSJFDCYJVDA-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328127;MM328127;O=CC1(F)CC1C(F)CO;GGKVHRJEKJANTJ-UHFFFAOYSA-N;150.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328128;MM328128;C#CC(C)NN(C=C)C=N;YOXIXUMEDPDYDK-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328129;MM328129;C=CC1(C)CC1C(C)NC;BFDGZHZPACECOC-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328130;MM328130;C#CC(C)ON(C=C)C=N;FDJMZLYHTBQZSZ-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328131;MM328131;CNC(C)C1CC1(C)C=O;HLZDPUGWHGDNDF-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328132;MM328132;C#CC(C)ON(C=C)C=O;MCDXFWKBSCMLBT-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328133;MM328133;C#CC(C)ON(C=N)C=O;JZBJRRNGBVXXNJ-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328134;MM328134;CNC(C)C1CC1(C)C#N;FIXANYOQOVRDQQ-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328135;MM328135;C#CC(C=C)CC(C)CC;JUOPNVDAXZNNMO-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328136;MM328136;C=CC1(N)CC1C(C)NC;JEEKFXSVNVBFQC-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328137;MM328137;C#CC(C=C)CC(C)CN;RNNRHCPTIJDXHW-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328138;MM328138;C=CC1(O)CC1C(C)NC;OFXJCRKTAOMCQG-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328139;MM328139;C=CCC(CC)C(N)=O;QYNWHGPMAYJBIQ-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328140;MM328140;CNC(C)C1CC1(O)C=O;BFYOEIKHYLBBQJ-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328141;MM328141;C#CC(C=C)CC(C)CF;RHRYWIWHRILAOW-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328142;MM328142;CNC(C)C1CC1(O)C#N;USUVPEJLVVGIAH-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328143;MM328143;C#CC(C=O)CC(C)CC;AERSACXQAJGHKI-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328144;MM328144;C=CC1(F)CC1C(C)NC;JYSPYECTFBWHCX-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328145;MM328145;C#CC(C#N)CC(C)CC;DRVOXRWZPMQFSF-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328146;MM328146;CNC(C)C1CC1(F)C=O;YDKYWTXQZIGDTC-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328147;MM328147;C#CC(C#N)CC(C)CF;XGTQRCKQXOCRQU-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328148;MM328148;CNC(C)C1CC1(F)C#N;PRULADHWZDBEMJ-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328149;MM328149;C#CC(C=C)CC(N)CC;ASMIPTAKSOPGPR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328150;MM328150;C=CC1(C)CC1C(C)OC;HYBXBLGIUGYXBH-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328151;MM328151;C#CC(C=C)CC(N)CN;QWJZCZYVSWWGHG-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328152;MM328152;COC(C)C1CC1(C)C=O;BFLKZSBDLBWANH-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328153;MM328153;C#CC(C=C)CC(N)CF;VLXIFRGZDVMRSO-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328154;MM328154;COC(C)C1CC1(C)C#N;AKUKWOPYXJQRFT-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328155;MM328155;C#CC(ON=C)C(=C)F;WUMFUDZBMQIOAA-UHFFFAOYSA-N;127.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328156;MM328156;C=CC1(N)CC1C(C)OC;LEKUVSOAAQBUTO-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328157;MM328157;C#CC(C=C)CC(O)CF;SIJDOABDBFSXAG-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328158;MM328158;C=CC1(O)CC1C(C)OC;VOAYOZSYVWTJMD-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328159;MM328159;C#CC(C#N)CC(O)CC;JGPJUTSOBXUYEL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328160;MM328160;C#CC(C#N)CC(O)CO;QNNSTOPNBLDRIA-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328161;MM328161;COC(C)C1CC1(O)C=O;MZKMYGADLAAYGB-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328162;MM328162;C#CC(C=O)CC(O)CF;OJYPQFXKRPLCSQ-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328163;MM328163;COC(C)C1CC1(O)C#N;IOVSGCCUCVICIS-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328164;MM328164;C#CC(C#N)CC(O)CF;PEQAEICBVYIPPQ-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328165;MM328165;C=CC1(F)CC1C(C)OC;RUGGGVCRAPQMEK-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328166;MM328166;C#CC(C=C)CC(F)CC;ZWEQPCZNXWSKFH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328167;MM328167;COC(C)C1CC1(F)C#N;MFGUTLQNGHDRLT-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328168;MM328168;C#CC(C=C)CC(F)CN;SOVKLPYTSOIEHM-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328169;MM328169;C=CC1(C)CC1N(C)CC;FNBTXWBLRFYQGA-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328170;MM328170;C#CC(C=C)CC(F)CO;ZNKNARXFBYWWOG-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328171;MM328171;CCN(C)C1CC1(C)C=O;YAYRYIDWQCGGEL-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328172;MM328172;C#CC(C=C)CC(F)CF;PKRGOAUMZYJWRE-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328173;MM328173;C=CC1(N)CC1N(C)CC;PMYUIXXVXIBCIC-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328174;MM328174;C#CC(C=O)CC(F)CC;WSMKEGXNXHDYRF-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328175;MM328175;C=CC1(O)CC1N(C)CC;RRZWGPKTRQTQSX-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328176;MM328176;C#CC(C#N)CC(F)CC;LJHYIGMDYOYBNL-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328177;MM328177;C=CC(CC(N)=O)=C(C)C;INNAQEPYRUHRHI-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328178;MM328178;C#CC(C#N)CC(F)CO;VNSMLOBGOPDEGP-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328179;MM328179;CCN(C)C1CC1(F)C#N;JVUDKXHANQAOCD-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328180;MM328180;C#CC(C=C)CC(C)NC;LXUXSKAMZASIBK-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328181;MM328181;C=CC1(C)NC1C(C)CN;CPKNGNIEDJNUNE-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328182;MM328182;C#CC(C=C)CC(C)OC;BZGGJXWPRWVFJX-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328183;MM328183;CCC(C)C1NC1(C)C#N;PWXJPIFZKGSSBX-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328184;MM328184;C#CC(C=O)CC(C)OC;HHGXSSXRVYVPJH-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328185;MM328185;CCCCNC=CC(N)=O;SHNWRJNDMDXBNZ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328186;MM328186;C#CC(C#N)CC(C)OC;WCWNIVSEKQOAOG-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328187;MM328187;CON=CNN=CC(F)F;LGHQNHTUJVICQQ-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328188;MM328188;C#CC(C=C)NC(C)CC;HASGCRKYRBOTFI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328189;MM328189;C=CC1(C)NC1C(N)CC;OABUEFIXDWBTTE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328190;MM328190;C#CC(C=C)NC(C)CN;KJZPPXREXISAOY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328191;MM328191;C=CC1(C)NC1C(N)CN;DZUXCPDCBBYGTA-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328192;MM328192;C#CC(C=C)OC(C)CC;VECNDMJSQDKQCL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328193;MM328193;C=CC1(C)NC1C(N)CO;IYWYBEWZXWNQRO-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328194;MM328194;C#CC(C=C)OC(C)CF;NKIPMTRKFTWMHE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328195;MM328195;CON=C(N)C#CCC=O;OBDCBQLWCRJBPH-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328196;MM328196;C#CC(C=O)OC(C)CC;PRIRMMVZDPQAHA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328197;MM328197;C=CC1(C)NC1C(O)CN;GZUANWCWKZCJRG-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328198;MM328198;C#CC(C#N)OC(C)CC;UKXPHVYCDYKJPW-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328199;MM328199;CCC=CC=C(C)C(N)=O;GJOKVXGJXOOPCN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328200;MM328200;C#CC(C=C)CN(C)CC;VOZMDXGAFCHWEH-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328201;MM328201;C=C(C(N)=O)C(C)C=CC;LZSDJHRDLGINKS-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328202;MM328202;C#CC(C=C)CC(C)C=C;APSJBMKOUXUELI-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328203;MM328203;C#CC(C=C)CC(C)C=O;LLCPIGUSVLALFO-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328204;MM328204;C=CCC(=CCC)C(N)=O;UXOWRRIYZDPREM-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328205;MM328205;C#CC(C=C)CC(C)C#N;DYZHMLBUYCTNAD-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328206;MM328206;C#CC(=C)CC(=CC)CO;LDVXVNLIYWOZEN-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328207;MM328207;C#CC(C=O)CC(C)C=C;QRZYSYIXDQTWEA-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328208;MM328208;C=CC(O)C=C(CC)CC;IIBIOQLJMCEHOQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328209;MM328209;C#CC(C#N)CC(C)C=C;FGRIATIYPYRPKS-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328210;MM328210;C=CC1(C)NC1C(F)CN;VPTIQXNWRMSPAU-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328211;MM328211;C#CC(C=O)CC(C)C=O;GXGPNIQOXLLGAL-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328212;MM328212;CC=C(CO)CCC(C)C;NCJDMMUDTUUAIM-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328213;MM328213;C#CC(C#N)CC(C)C=O;DHZKWKYJBSSWHA-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328214;MM328214;CCC(F)C1NC1(C)C#N;NXJGCLSWQOSROL-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328215;MM328215;C#CC(C#N)CC(C)C#N;FOJDIMTZUGKTRA-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328216;MM328216;CC=C(CO)CCC(C)O;OEPZWMMARXDROA-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328217;MM328217;C#CC(C=C)CC(N)C=C;ADYWWHIGHIPMEY-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328218;MM328218;C=CC1(C)NC1C(C)NC;JRRKZDRCYYOYEL-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328219;MM328219;CC1NC1CC(=O)C#N;BQYWGRDJXNAXDI-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328220;MM328220;CNC(C)C1NC1(C)C#N;KQHVFCHSSNKDHS-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328221;MM328221;C#CC(C=C)CC(O)C#N;RUVLEGZUNGCSCS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328222;MM328222;C#CC(C=C)CC(F)C=C;IZXSTNOREXWCBH-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328223;MM328223;COC(C)C1NC1(C)C=O;OCTYGQJTJLAIGN-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328224;MM328224;COC(C)C1NC1(C)C#N;NVUBEUDAMXPONJ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328225;MM328225;C#CC(C=C)CC(F)C=O;SGRHHCQSHKOQLC-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328226;MM328226;C=CC1(C)OC1C(C)CC;SUUWNTSEZPPACA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328227;MM328227;C#CC(C=O)CC(F)C=C;NSFGQODWSKUTDQ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328228;MM328228;C=CC1(C)OC1C(C)CN;WRKNOKXQKZSTER-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328229;MM328229;C#CC(C#N)CC(F)C=C;AWWSRGJHSLDBLQ-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328230;MM328230;C=CC1(C)OC1C(C)CO;FGOFTPFPLQRMAD-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328231;MM328231;C#CC(C#N)CC(F)C=O;URTOLGNBHQXMEF-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328232;MM328232;CCC(C)C1OC1(C)C=O;DJLUTOWMEQDUNF-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328233;MM328233;CC1(CC2CC2O)CC1;ZBQNJOUZYUDORF-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328234;MM328234;CCC(C)C1OC1(C)C#N;KMJVHVGCRFUZOS-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328235;MM328235;C#CC(C=C)OC(C)C=C;QPXYPGWHUAKMDI-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328236;MM328236;CC(CO)C1OC1(C)C=O;PQIWILJODAHVTB-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328237;MM328237;C#CC(C=C)OC(C)C=O;AYKZLKQHNGXATP-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328238;MM328238;CC(CO)C1OC1(C)C#N;CRULPHNLKDZETH-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328239;MM328239;C#CC(C#N)OC(C)C=C;MJDWGAYDSDNILC-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328240;MM328240;C=CC1(C)OC1C(N)CN;JBZJQWZEMJVHDT-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328241;MM328241;C#CC(C=C)CN(C)C=N;SGBVUJKDUVLUIS-UHFFFAOYSA-N;136.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328242;MM328242;C=CC1(C)OC1C(N)CO;STLLZNUFJMKAIW-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328243;MM328243;C#CC(C=O)CN(C)C=N;AXSJDESSEBCRBW-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328244;MM328244;C=CC1(C)OC1C(N)CF;OCRLHVKQVHFWAK-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328245;MM328245;C#CC(C#N)CN(C)C=N;OBLJYXUCFCEKFI-UHFFFAOYSA-N;135.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328246;MM328246;C=CC1(C)OC1C(O)CC;KGQJFYPDXBIOPY-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328247;MM328247;C#CC(C=C)CN(N)C=O;CXMWPVYUILYJKY-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328248;MM328248;C=CC1(C)OC1C(O)CN;JLOBSIJTGKRINZ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328249;MM328249;C#CC(C=C)CN(C)N=C;TZHPHNVWTZXCFX-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328250;MM328250;C=CC1(C)OC1C(O)CO;QUHDXJUBEJYDOQ-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328251;MM328251;C#CC(C=C)NN(C)C=O;JNPSUEJIBFZHQT-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328252;MM328252;C=CC1(C)OC1C(O)CF;MXSHPQSTYNGAKK-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328253;MM328253;C#CC(C=O)NN(C)C=N;NDVGOICLZQIFKU-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328254;MM328254;CC1(C#N)OC1C(O)CO;GXSAHKDBJKCNAC-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328255;MM328255;C#CC(C#N)NN(C)C=N;TYFDHMLQIBMTJW-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328256;MM328256;C=CC1(C)OC1C(F)CN;YWTXJJWCAOYSIO-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328257;MM328257;CNc1n[nH]c(N)c1C;DCUYXXKTIOGXST-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328258;MM328258;C=CC1(C)OC1C(F)CO;RINXMWLFUOTJPN-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328259;MM328259;CC1(C=O)OC1C(F)CO;PEDHEDNOBYAXNL-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328260;MM328260;C#CC(C=C)ON(C)C=N;MQVOGAJLVDSAEK-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328261;MM328261;C=CC1(C)OC1C(C)NC;TYCXOBUDIDFIQB-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328262;MM328262;C#CC(C=C)ON(C)C=O;MZCWSYLVCITCSW-UHFFFAOYSA-N;139.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328263;MM328263;CNC(C)C1OC1(C)C=O;ZCPKYTPYFOKAHF-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328264;MM328264;C#CC(C)CC(C#C)C=C;FASTUGYKUKSMCJ-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328265;MM328265;CNC(C)C1OC1(C)C#N;ALUCXKITLABFAE-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328266;MM328266;C#CC(C)CC(C#C)C=O;RNLIIGNYUVUNRJ-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328267;MM328267;C=CC1(C)OC1C(C)OC;JBEWVHIPORIHAO-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328268;MM328268;C#CC(C)CC(C#C)C#N;NPFRTVNHARIECM-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328269;MM328269;COC(C)C1OC1(C)C#N;NAHVAETVIOSFDU-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328270;MM328270;C#CC(O)CC(C#C)C=O;DMNWUYGNOPRHTI-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328271;MM328271;C=CC1(C)CN1C(C)CN;WCBRSTVVBWVYJG-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328272;MM328272;C#CC(O)CC(C#C)C#N;CUPWGVQSURZTJD-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328273;MM328273;CC=C(CO)CCC(C)F;HDDBGCOQRIVHBR-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328274;MM328274;C#CC(C)OC(C#C)C=C;UEPYRGYIEKWPIR-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328275;MM328275;C=CC1(C)CN1C(C)CF;UZPSFQKBMJEJDC-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328276;MM328276;C#CC(C)OC(C#C)C=O;CQMATHLLAUQZQN-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328277;MM328277;CCC(C)N1CC1(C)C=O;ZKAOLTXUFUVRBB-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328278;MM328278;C#CC(C)OC(C#C)C#N;PFBTWORDIWTSQJ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328279;MM328279;CCC(C)N1CC1(C)C#N;CGRKXYQTULWCKX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328280;MM328280;C#CC(C#C)CC(C)CC;HYTBDNDXZZNEMV-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328281;MM328281;CC=C(CO)CCC(F)F;XLWMSJNOMWNZPF-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328282;MM328282;C#CC(C#C)CC(C)CN;VJXYIHYMUVIRHK-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328283;MM328283;C=CC(C)C1CC1(C)C=C;IXFMYLCXIIIPRR-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328284;MM328284;C=C(C#CC)C1CC1O;UCPWOMJYWYIFPD-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328285;MM328285;C=CC1(C)CC1C(C)C=O;NTPWZGTVCWRJTF-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328286;MM328286;C#CC(C#C)CC(C)CF;KTRKMYZGSBLEIV-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328287;MM328287;C=CC1(C)CC1C(C)C#N;XACHSTHKODBAGN-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328288;MM328288;C#CC(C#C)CC(N)CC;QFUZEVYCKHAHDT-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328289;MM328289;C=CC(C)C1CC1(C)C=O;IIMSEXRDHJPNDE-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328290;MM328290;C=CC(C)C1CC1(C)C#N;IIXBUDBGASDATL-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328291;MM328291;C#CC(C#C)CC(N)CF;PGDMACGUTGZMRR-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328292;MM328292;CC(C=O)C1CC1(C)C=O;OMVCWIAADMRRAR-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328293;MM328293;CNN(C=O)CCC=O;AUCVAGIXBHULSW-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328294;MM328294;CC(C#N)C1CC1(C)C#N;BCSZLSRKEOTVCI-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328295;MM328295;C#CC(C#C)CC(O)CF;ASWPOAORSCXJDE-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328296;MM328296;C=CC(N)C1CC1(C)C=C;DIASGNQPBIQUHU-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328297;MM328297;C#CC(C#C)CC(F)CC;NWLMXONXYMLFOY-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328298;MM328298;C=CC(C=CC(C)O)CC;FVNINNPGIFWRFM-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328299;MM328299;C#CC(C#C)CC(F)CN;RJAIZPFYMCCRQC-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328300;MM328300;C=CC1(C)CC1C(O)C=O;MMQHZMSUNLMQPQ-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328301;MM328301;C#CC(C#C)CC(F)CO;GKBJOLDAIUWSEU-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328302;MM328302;C=CC(O)C1CC1(C)C=O;DLBAGHGLMBNFLN-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328303;MM328303;C#CC(C#C)CC(F)CF;JDLNWIDIYQGARP-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328304;MM328304;C=CC(O)C1CC1(C)C#N;ULPLAMZSIXWZOD-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328305;MM328305;C#CC(C#C)CC(C)OC;MGFNBBUMXSREDK-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328306;MM328306;CC1(C=O)CC1C(O)C=O;TVYDNBMXQBPVPL-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328307;MM328307;C#CC(C#C)OC(C)CC;GGCLRPZAKABEAP-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328308;MM328308;CC1(C#N)CC1C(O)C=O;YDPMRKUWIRGLPY-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328309;MM328309;C#CC(C#C)OC(C)CO;DUNFOUWWZUJEBG-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328310;MM328310;CC1(C#N)CC1C(O)C#N;NWDPZGBHQGEOJP-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328311;MM328311;C#CC(C#C)OC(C)OC;AZTMJVNBVYBBFW-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328312;MM328312;C=CC(F)C1CC1(C)C=C;KNGVZZLXQULDEM-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328313;MM328313;C#CC(C#C)CN(C)CC;PCIMBPRGLZKPTA-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328314;MM328314;C=CC1(C)CC1C(F)C#N;OQYJROBRAJDRSM-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328315;MM328315;C=CC(F)C1CC1(C)C#N;QOYBXWCBYAXWDB-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328316;MM328316;C#CC(C#C)CC(C)C=C;CQKCUWMMLIFSPP-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328317;MM328317;CC1(C=O)CC1C(F)C#N;MIQHKKCIHONFNY-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328318;MM328318;C#CC(C#C)CC(C)C=O;UURHVGAJMMPQCJ-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328319;MM328319;CC1(C#N)CC1C(F)C#N;DGRUIQDTPRNSMB-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328320;MM328320;C#CC(C#C)CC(C)C#N;MOQQFKJBWGGHDR-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328321;MM328321;C=CC(C)C1CC1(N)C=C;LFBAFSZZSGLFRZ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328322;MM328322;C#CC(C#C)CC(N)C=C;BTGIIKITZCGLGW-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328323;MM328323;C=CC(N)C1CC1(N)C=C;HNVDLDNWXUKFHW-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328324;MM328324;C#CC(C#C)CC(O)C=O;RPHDRTNWHNVQDL-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328325;MM328325;C=CC(F)C1CC1(N)C=C;JSTBJKXUPAJMOO-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328326;MM328326;C#CC(C#C)NC(C)C#N;OJMMABOUULRLCY-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328327;MM328327;C=CC(C=CC(C)O)CO;FTYHJCZAOCJSFX-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328328;MM328328;C#CC(C#C)OC(C)C=C;FTHOPZMVAXZXFT-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328329;MM328329;C=CC1(O)CC1C(C)C=O;AGJOVHONCCBNLA-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328330;MM328330;C#CC(C#C)OC(C)C=O;XVJVGBOQLKZFNP-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328331;MM328331;C#CC(C#C)OC(C)C#N;QRDOIUYSCHDTGY-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328332;MM328332;C=CC1(O)CC1C(C)C#N;MTAPCBKWGGMXIQ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328333;MM328333;C=CC(C)C1CC1(O)C=O;YPJBRMHHFXWAIX-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328334;MM328334;C#CC(C#C)CN(C)N=C;WKOIHHBFMZPWOX-UHFFFAOYSA-N;134.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328335;MM328335;C=CC(C)C1CC1(O)C#N;USVAMHHJOWYPQI-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328336;MM328336;C#CC(C#C)NN(C)C=N;OEYPDTQBXSGJNR-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328337;MM328337;CC(C=O)C1CC1(O)C=O;HXTUZLJQVIJWGP-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328338;MM328338;C#CC(C#C)NN(C)C=O;GCTDBAZXEGAXPP-UHFFFAOYSA-N;136.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328339;MM328339;CC(C#N)C1CC1(O)C#N;RXXGRPIOHPMQFQ-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328340;MM328340;C#CC(C)CC(C#C)C#C;QHTKTOFQGVEIJF-UHFFFAOYSA-N;130.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328341;MM328341;C=CC(N)C1CC1(O)C=C;XRWQEHPVPIHZAP-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328342;MM328342;C#CC(N)CC(C#C)C#C;ZORDGXDPTDABEQ-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328343;MM328343;C=CC(O)C1CC1(O)C=C;WYDXQVOHTOUGSQ-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328344;MM328344;C#CC(O)CC(C#C)C#C;VPFDFQDFSYLPRK-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328345;MM328345;C=CC1(O)CC1C(O)C=O;YSJDKWJQPNEQSN-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328346;MM328346;C#CC(F)CC(C#C)C#C;UQLWAORZCJNUFV-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328347;MM328347;C=CC1(O)CC1C(O)C#N;GMQNIVZARVAAMJ-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328348;MM328348;C#CC(C)OC(C#C)C#C;NDCIEHNTKXOFGN-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328349;MM328349;C=CC(O)C1CC1(O)C#N;PVPMWOYHVLBFAG-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328350;MM328350;C=C(CC)CC(CC)CC;WMDHFGCFJHJIIS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328351;MM328351;O=CC(O)C1CC1(O)C=O;YUJZJOGHMWMONR-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328352;MM328352;C=C(CN)CC(CC)CC;PYNDMSOVVWUWSK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328353;MM328353;N#CC(O)C1CC1(O)C=O;FTIZQQZUYAEIAL-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328354;MM328354;C=C(CO)CC(CC)CC;XVJHMLUYPYGZFP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328355;MM328355;N#CC1(O)CC1C(O)C=O;FAHMFXORDAAZTN-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328356;MM328356;C=C(CF)CC(CC)CC;NUHZMEYKZICKKU-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328357;MM328357;N#CC(O)C1CC1(O)C#N;BMYVBZPIFOYOMY-UHFFFAOYSA-N;138.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328358;MM328358;C=C(CC)CC(CC)CN;SLAICMAUIAYCDK-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328359;MM328359;C=CC(F)C1CC1(O)C=C;YNVJPUFBRGJKMU-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328360;MM328360;C=C(CN)CC(CC)CN;SUHZQIMUYZEKIM-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328361;MM328361;C=CC1(O)CC1C(F)C#N;DAWIKIPGLFGOQC-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328362;MM328362;C=CC(F)C1CC1(O)C=O;QMYPZJDLPCQSHU-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328363;MM328363;C=C(CO)CC(CC)CN;ZNXXEGSTZKMDQG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328364;MM328364;C=CC(F)C1CC1(O)C#N;BDOXKNKTQRLOKD-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328365;MM328365;C=C(CF)CC(CC)CN;LCHOHFPMXBBPOM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328366;MM328366;O=CC(F)C1CC1(O)C=O;GAYUQNWHTLWVRU-UHFFFAOYSA-N;146.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328367;MM328367;CC(C=O)C1NC1C=O;BTFLSLBWBZZMJZ-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328368;MM328368;N#CC1(O)CC1C(F)C=O;LILOIOGNOXLZHA-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328369;MM328369;C=C(CN)CC(CC)CO;BXWOKVASLJJNNZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328370;MM328370;C=CC(C)C1CC1(F)C=C;YMLVYGLJSVQHLH-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328371;MM328371;CC1C(CO)C1CCO;LFTSOZOUKMAJEW-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328372;MM328372;C=CC1(F)CC1C(C)C=O;YXRFDNFMDIZYLP-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328373;MM328373;CC(C)=CC(C)=CC(N)=O;UTKZRJCGJFMRHL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328374;MM328374;C=CC1(F)CC1C(C)C#N;LXWMADYVEYGSNJ-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328375;MM328375;C=C(CC)CC(CC)CF;JCXPFWDLLRTZMY-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328376;MM328376;C=CC(C)C1CC1(F)C=O;URNPQPRDXLMOFL-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328377;MM328377;C=C(CN)CC(CC)CF;QQUQDTRGJWIZIZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328378;MM328378;C=C(CO)CC(CC)CF;PXUQXZRYZLLDKE-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328379;MM328379;C=CC(C)C1CC1(F)C#N;KBFYYDYBWPWCLR-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328380;MM328380;C=C(CN)CC(CN)CN;JPIWYLSYSXVVMX-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328381;MM328381;CC(C#N)C1CC1(F)C=O;MOZZJOGAUYWYPK-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328382;MM328382;C=C(CO)CC(CN)CN;ISIMCHHVXMUNFT-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328383;MM328383;CC(C=O)C1CC1(F)C#N;JCLCYFRXENIHCV-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328384;MM328384;C=C(CC)CC(CN)CF;XGDLIBHCTQTBBS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328385;MM328385;CC(C#N)C1CC1(F)C#N;FCGAOWHDWQBDBL-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328386;MM328386;C=C(CN)CC(CO)CO;DLKILZAQUZOTGJ-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328387;MM328387;C=CC(N)C1CC1(F)C=C;XLLBLLVEECBWIH-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328388;MM328388;C=CC(O)C1CC1(F)C=C;JSSBBJVPHFCOEV-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328389;MM328389;C=C(CO)CC(CO)CO;AFXNHMMBCURXQD-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328390;MM328390;C=CC1(F)CC1C(O)C=O;UPVOBDSEBVBABO-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328391;MM328391;C=C(CO)CC(CO)CF;AZUWHUOUVCNBLG-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328392;MM328392;C=CC1(F)CC1C(O)C#N;DWJMKDNLVOMLPQ-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328393;MM328393;C=C(CC)CC(CF)CF;JSYPKIQVLNTTGO-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328394;MM328394;C=CC(O)C1CC1(F)C=O;XMRUWLNYOMKJKZ-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328395;MM328395;C=C(CO)CC(CF)CF;QGRYTDBLBKZMKU-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328396;MM328396;C=C(CF)CC(CF)CF;KXIQDKIRFLWHSQ-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328397;MM328397;C=CC(O)C1CC1(F)C#N;VGCKIYFWNISOHD-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328398;MM328398;O=CC(O)C1CC1(F)C=O;KQIXAAJMBHFVQX-UHFFFAOYSA-N;146.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328399;MM328399;CCC(=O)CC(CC)CC;DMRZSXNCIFGKME-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328400;MM328400;N#CC(O)C1CC1(F)C=O;BSJYRBQSIYWIRZ-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328401;MM328401;CCC(CC)CC(=O)CO;HXCFCCMGXQVDRT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328402;MM328402;N#CC(O)C1CC1(F)C#N;YHHIWCIIUJQKKG-UHFFFAOYSA-N;140.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328403;MM328403;CCC(CC)CC(=O)CF;WCBFBCLYSIRCPJ-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328404;MM328404;C=CC(F)C1CC1(F)C=C;CZVVZKVLDJJFLR-UHFFFAOYSA-N;144.16;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328405;MM328405;CCC(=O)CC(CC)CO;ZKZYNPIVYHBKDS-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328406;MM328406;C=CC1(F)CC1C(F)C=O;MHNQACSMYJNBIC-UHFFFAOYSA-N;146.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328407;MM328407;CCC(CO)CC(=O)CO;QUEMVDJJIMIHSH-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328408;MM328408;C=CC1(F)CC1C(F)C#N;YELMESDTNSVDOB-UHFFFAOYSA-N;143.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328409;MM328409;CCC(CO)CC(=O)CF;ATLOZHHWKGEOSN-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328410;MM328410;C=CC(F)C1CC1(F)C#N;QLQDXPXVUFMCAG-UHFFFAOYSA-N;143.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328411;MM328411;CCC(CF)CC(=O)CF;CYGPDAKIFGCCBQ-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328412;MM328412;N#CC(F)C1CC1(F)C#N;JLKCJEWUUCELFU-UHFFFAOYSA-N;142.11;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328413;MM328413;CCC(=O)CC(CO)CO;SYVOZCQDWXPMNS-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328414;MM328414;C=CC1(C)CC1N(C)C=N;DNDUAOSUXDPABB-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328415;MM328415;O=C(CO)CC(CO)CO;SPMBXIFNPCDWNQ-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328416;MM328416;C=CC1(C)CC1N(C)C=O;MZKUIDFDTHKBFK-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328417;MM328417;O=C(CF)CC(CO)CF;GVEOEXXIDQRQCN-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328418;MM328418;CN(C=N)C1CC1(C)C#N;BJNPDRSTOWOAGX-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328419;MM328419;CN(C=O)C1CC1(C)C=O;WTIYYKTYIGGLNY-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328420;MM328420;CCC(=O)CC(CF)CF;MQCBOGPQUKLTTM-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328421;MM328421;CN(C=O)C1CC1(C)C#N;JLIKJGGAQXQDIH-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328422;MM328422;O=C(CO)CC(CF)CF;KGFQAEWMXKNJJZ-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328423;MM328423;C=CC1(C)CC1N(N)C=N;JRCARFVYZXSCLA-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328424;MM328424;O=C(CF)CC(CF)CF;QLUQXVFJKWRTDD-UHFFFAOYSA-N;154.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328425;MM328425;C=CC1(C)CC1N(N)C=O;QOCWWHXPUOUWRF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328426;MM328426;CCC(CC)CC(=N)NC;JAWWUDVGTRHMQJ-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328427;MM328427;C=CC1(N)CC1N(C)C=N;ZPRXWCNUHRUBLT-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328428;MM328428;CCC(CC)CC(=N)NN;CMFJLJLVWZEIMO-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328429;MM328429;CCC(CC)CC(=N)NO;MCTMWHCGVFMULM-UHFFFAOYSA-N;144.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328430;MM328430;C=CC1(N)CC1N(C)C=O;CASAYZQZLCYDSH-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328431;MM328431;CCC(CN)CC(=N)NC;LZSLWUZPWUSVTH-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328432;MM328432;C=CC1(O)CC1N(C)C=O;XUWGBCRWNILNHF-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328433;MM328433;CCC(CN)CC(=N)NO;LUADORLCVIMUOJ-UHFFFAOYSA-N;145.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328434;MM328434;CN(C=N)C1CC1(O)C#N;QQEOEFLWJGYDPD-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328435;MM328435;CCC(CO)CC(=N)NN;JNTRIHXMWIPENG-UHFFFAOYSA-N;145.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328436;MM328436;CN(C=O)C1CC1(O)C=O;WGGWKUMNVVWYOB-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328437;MM328437;CCC(CO)CC(=N)NO;DBSFMFVRLBCODK-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328438;MM328438;CN(C=O)C1CC1(O)C#N;NCPKMAYFGCYUIF-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328439;MM328439;CCC(CF)CC(=N)NC;ZYNLJXJDKDBIRL-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328440;MM328440;C=CC1(O)CC1N(N)C=N;QHLDWXYBJZUPLD-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328441;MM328441;CNC(=N)CC(CN)CN;XXIIJPFPRXOGSZ-UHFFFAOYSA-N;144.22;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328442;MM328442;C=CC(C=CC(C)O)CF;CQEUOFNNRZIPCG-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328443;MM328443;N=C(CC(CN)CN)NO;BLAVAXBZDJNDIS-UHFFFAOYSA-N;146.19;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328444;MM328444;C=CC1(F)CC1N(C)C=N;DZVDHUURONEMAZ-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328445;MM328445;CNC(=N)CC(CN)CF;TWBPYSSLPUVVRJ-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328446;MM328446;C=CC1(F)CC1N(C)C=O;CYHITHVVRZHMQY-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328447;MM328447;N=C(CC(CN)CF)NO;ONPSPTIJUZZOHU-UHFFFAOYSA-N;149.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328448;MM328448;CN(C=N)C1CC1(F)C#N;KIJQOTZKBODLBT-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328449;MM328449;CNC(=N)CC(CO)CO;PUSIJXBJFJVZON-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328450;MM328450;CN(C=O)C1CC1(F)C#N;PDRAAJFVALVUHK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328451;MM328451;N=C(CC(CO)CO)NO;OJLJBPDPHXYWGD-UHFFFAOYSA-N;148.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328452;MM328452;C=CC1(F)CC1N(N)C=N;ZQWLCBBLBQZHPT-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328453;MM328453;CNC(=N)CC(CF)CF;SMKMVFUAQQECJM-UHFFFAOYSA-N;150.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328454;MM328454;C=CC1(F)CC1N(N)C=O;SLMQAIVVIRNTMQ-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328455;MM328455;N=C(CC(CF)CF)NN;NIOGTSXELRWTDF-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328456;MM328456;C=CC1(C)CC1N(C)N=C;OIYAWLDDBHUVSE-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328457;MM328457;N=C(CC(CF)CF)NO;DIOJENHHTXALTP-UHFFFAOYSA-N;152.14;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328458;MM328458;C=NN(C)C1CC1(C)C#N;XZAPXIYVCFBYGY-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328459;MM328459;C=CC(C)(C=C)CC(N)=O;HTAGTWUGIYGZRQ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328460;MM328460;C=CC1(N)CC1N(C)N=C;PIQZVGZHRQJVCG-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328461;MM328461;CC(C)=NN(C)CCC=O;XOPPMBZEDKMBJZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328462;MM328462;CCN(C=CC(N)=O)CC;CEJKUMFCQAUQAG-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328463;MM328463;CCC(CC)CC(=O)NO;VUDWLKJTJCWPAW-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328464;MM328464;CCC(=CCC(C)O)CO;YUGGYZZIFICZBR-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328465;MM328465;CCC(CN)CC(=O)NC;VAOHUZHCMJTKPA-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328466;MM328466;C=CC1(F)CC1N(C)N=C;CCWANICEMCHSPE-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328467;MM328467;CCC(CN)CC(=O)NO;VEBALKFHEOBWGN-UHFFFAOYSA-N;146.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328468;MM328468;CCC(CF)CC(=O)NC;FCGPXTTVCXXZIF-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328469;MM328469;C=NN(C)C1CC1(F)C#N;BEMVLKKGXWPCME-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328470;MM328470;CNC(=O)CC(CN)CN;KFLVISHBABHZIN-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328471;MM328471;C=CC1(C)NC1C(C)C#N;YLAWLCUEAXHJAK-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328472;MM328472;CNC(=O)CC(CN)CO;QQPJMROAQIJUMN-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328473;MM328473;C=CC(C)C1NC1(C)C=O;AKDZUKMKYWEFRK-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328474;MM328474;NCC(CO)CC(=O)NO;FGKUZBPLDMLBSA-UHFFFAOYSA-N;148.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328475;MM328475;C=CC(C)C1NC1(C)C#N;MWFUORJSNQLYEJ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328476;MM328476;CNC(=O)CC(CN)CF;GVVFAJYBMFWNJV-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328477;MM328477;CC(C#N)C1NC1(C)C=O;HIWYXAVTKCXLKW-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328478;MM328478;CCC=CC(C)=CC(N)=O;MYFQONNVKGMYSE-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328479;MM328479;CC(C#N)C1NC1(C)C#N;AJSHFDJYNSGRNQ-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328480;MM328480;C=C(CC(CC)CC)OC;QMBQXTGZHAXMNI-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328481;MM328481;C=CC(N)C1NC1(C)C=C;PBHPOIGGLWHBBZ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328482;MM328482;C=C(CC(CC)CN)OC;OKCWADSRECUDFW-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328483;MM328483;CCC(=CCC(C)F)CO;PGAGKOFXYBDESE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328484;MM328484;C=C(CC(CC)CO)OC;VMUBZSFCJHEHPT-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328485;MM328485;C=CC1(C#N)CC(CO)C1;BCCMHVOUTLWLIU-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328486;MM328486;C=C(CC(CC)CF)OC;NUBHCMLDNVWDCJ-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328487;MM328487;C=C(CO)C(C)CCCC;YJZZECZVSDOHGX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328488;MM328488;C=C(CC(CN)CN)OC;ZPCFZFPVNGHWNT-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328489;MM328489;C=CCCC(C)C(=C)CO;KTJYMWSASMQLGC-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328490;MM328490;C=C(CC(CF)CF)OC;VKNHJVQVCIHKCP-UHFFFAOYSA-N;150.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328491;MM328491;CCC(CC)CC(=O)OC;BDPBIUDBBLLCPA-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328492;MM328492;C#CCCC(C)C(=C)CO;ICMYJXGEEDKHKL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328493;MM328493;CCC(CO)CC(=O)OC;MIVXWUZOCVMDHJ-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328494;MM328494;CC1(C#N)NC1C(O)C#N;MNADDOKQKQDPGG-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328495;MM328495;CCC(CF)CC(=O)OC;JYNNCYOUCXJVOQ-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328496;MM328496;C=CC(F)C1NC1(C)C=C;LESIKHJPEHSHDI-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328497;MM328497;COC(=O)CC(CN)CN;ONNFPVRDOFOFKX-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328498;MM328498;C=CC(F)C1NC1(C)C#N;KNQFUFXXNDFWRE-UHFFFAOYSA-N;140.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328499;MM328499;COC(=O)CC(CO)CO;VNLQDRVBTCIHPS-UHFFFAOYSA-N;148.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328500;MM328500;CC1(C#N)NC1C(F)C=O;RGWDNPCTHSPKKE-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328501;MM328501;COC(=O)CC(CF)CF;XWZLFJHFGAYAQH-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328502;MM328502;C=CC(C)C1OC1(C)C=C;KEIUNCZASUQKQN-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328503;MM328503;C=C(CC)CC(CC)NC;DPHUNGWTFRBZTJ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328504;MM328504;C=CC1(C)OC1C(C)C=O;DYZLHHHCBYIRLM-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328505;MM328505;C=C(CN)CC(CC)NC;GAQXMDFXGFVEQI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328506;MM328506;C=CC1(C)OC1C(C)C#N;APNJLXOCKPMPNY-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328507;MM328507;C=C(CO)CC(CC)NC;AGFPQZFGRAZYTC-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328508;MM328508;C=CC(C)C1OC1(C)C=O;KQFOUHAEEGVCGO-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328509;MM328509;C=C(CF)CC(CC)NC;VDXGFPPPVXKJPY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328510;MM328510;C=CC(C)C1OC1(C)C#N;HWKNFYKECHGMAZ-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328511;MM328511;C=C(CN)CC(CN)NC;HWACQJNZIFWQKW-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328512;MM328512;CC(C=O)C1OC1(C)C=O;AAMQOWKJSITIBH-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328513;MM328513;C=C(CO)CC(CN)NC;HQPOBZPMLOALAY-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328514;MM328514;CC(C#N)C1OC1(C)C=O;QJJHKKBPQRCESZ-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328515;MM328515;C=C(CF)CC(CN)NC;GERGUBXIMCUQQK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328516;MM328516;CC(C#N)C1OC1(C)C#N;WWJZGUSLPOCTCP-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328517;MM328517;C=C(CC)CC(CF)NC;OEUHQBVEOSJJAK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328518;MM328518;C=CC(N)C1OC1(C)C=C;GIVCJAPNOHRJOM-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328519;MM328519;C=C(CF)CC(CF)NC;PCZAJNYICHBMGL-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328520;MM328520;C=CC(O)C1OC1(C)C=C;ZYVVWQXQFWKVPW-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328521;MM328521;CCC(=O)CC(CC)NC;QNNAYHRJTJQWHW-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328522;MM328522;C=CC(O)C1OC1(C)C#N;MLAKXUDSGBENNJ-UHFFFAOYSA-N;139.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328523;MM328523;CCC(CC(=O)CO)NC;LVYRCANUGHYESR-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328524;MM328524;C=CC(F)C1OC1(C)C=C;OTTBPKSFNBKXAR-UHFFFAOYSA-N;142.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328525;MM328525;CCC(CC(=O)CF)NC;UFFPDEGYFPSZQO-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328526;MM328526;C=CC(F)C1OC1(C)C#N;PLOFRHKXNHYVJY-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328527;MM328527;CCC(=O)CC(CO)NC;SDZXWPFIXYTVCV-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328528;MM328528;CNC(CO)CC(=O)CO;CRQUQXTUEQDHDD-UHFFFAOYSA-N;147.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328529;MM328529;C=CC(C)N1CC1(C)C=C;UCNOFERADKQWTH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328530;MM328530;COC=NN(C)C(C)C=O;IKYRARYCUVWYLM-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328531;MM328531;CCC(CC(=N)NC)NC;YTTXHRZGHAWHGA-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328532;MM328532;C=CC1(C)CN1C(C)C#N;WJRDFZCYSHZFEB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328533;MM328533;CCC(CC(=N)NN)NC;FOIQLLWFPOBKNB-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328534;MM328534;C=CC(C)N1CC1(C)C=O;ONSCYSITTYLHKS-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328535;MM328535;CNC(=N)CC(CN)NC;MQDUEYBUYKNOHJ-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328536;MM328536;C=CC(C)N1CC1(C)C#N;RSDWINLDMWVGOE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328537;MM328537;CNC(CN)CC(=N)NO;YWMRVFNQMBTXHJ-UHFFFAOYSA-N;146.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328538;MM328538;CC(C#N)N1CC1(C)C#N;RQHXMMBEFINPDE-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328539;MM328539;CNC(=N)CC(CO)NC;VOKDPVMHQWADMH-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328540;MM328540;C=CC1(C)CN1N(C)C=N;LLEUEEMMXNUMDG-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328541;MM328541;CNC(=N)CC(CF)NC;XDWKMCITPKKNDG-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328542;MM328542;C=CC1(C)CN1N(C)C=O;ZESYIWVXOMZJNJ-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328543;MM328543;CNC(CF)CC(=N)NO;YAHWBKTZRILAOK-UHFFFAOYSA-N;149.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328544;MM328544;C#CC(C)C1CC1(C)C=C;WYKHVTSRNISAHD-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328545;MM328545;CCC(CC(=O)NN)NC;YNGSXWLBWSPFTP-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328546;MM328546;C#CC(C)C1CC1(C)C=O;LGIQYJGAQYKVFR-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328547;MM328547;CNC(=O)CC(CN)NC;PHPIXKWGQZLVTN-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328548;MM328548;C#CC(C)C1CC1(C)C#N;RIEUAAZQMWHUKS-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328549;MM328549;CNC(CN)CC(=O)NO;VFFNJUOIBXKPGB-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328550;MM328550;C#CC(N)C1CC1(C)C=C;UFGOKSPJYYFUDB-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328551;MM328551;CNC(=O)CC(CO)NC;IWAPJHJPIIGGLB-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328552;MM328552;C#CC(O)C1CC1(C)C#N;CRUOFGBUCQYILQ-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328553;MM328553;CNC(CO)CC(=O)NN;IIHVJRVVAJFQIM-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328554;MM328554;C#CC(F)C1CC1(C)C=C;LYYFQUJIVZDJBN-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328555;MM328555;CNC(CO)CC(=O)NO;UGDXDODXIALJKN-UHFFFAOYSA-N;148.16;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328556;MM328556;C#CC(F)C1CC1(C)C=O;ZEJHSVXVKYRJJK-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328557;MM328557;C=C(CC(CC)NC)OC;NIUIXNLPYFHESL-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328558;MM328558;C#CC(F)C1CC1(C)C#N;MHLNOWWJSOIYBK-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328559;MM328559;C=C(CC(CN)NC)OC;IULGDBNXVRYAGC-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328560;MM328560;C#CC(C)C1CC1(N)C=C;LMYZYMYJCRQOAZ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328561;MM328561;C=C(CC(CF)NC)OC;XDWMOAAHGSHSHF-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328562;MM328562;C#CC(N)C1CC1(N)C=C;HGXKYXNUVZOWPL-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328563;MM328563;CNC(CN)CC(=O)OC;PJUSQMRJLOBVMX-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328564;MM328564;C#CC(O)C1CC1(N)C=C;BAMMXZLAZLQVOL-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328565;MM328565;C#CC(F)C1CC1(N)C=C;KMUZPUARAZJEPJ-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328566;MM328566;C=C(CC)CC(CC)OC;HHUBWFCFQJKMJN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328567;MM328567;CC(CO)=C(C)CCCF;REUVWMYVQGPYQW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328568;MM328568;C=C(CN)CC(CC)OC;YMZQSSBHLQDKHG-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328569;MM328569;C#CC(C)C1CC1(O)C=O;POTIUKNTTDIFAI-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328570;MM328570;C=C(CO)CC(CC)OC;XIRNTEABNOALCZ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328571;MM328571;C#CC(C)C1CC1(O)C#N;NKMJCNUKHJMBAN-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328572;MM328572;C=C(CF)CC(CC)OC;KRVZBUYSCCIJLG-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328573;MM328573;C#CC(N)C1CC1(O)C=C;AXAGVUXWPPWFRT-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328574;MM328574;C=C(CC)CC(CN)OC;YEIDMHVECYJRSM-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328575;MM328575;C#CC(O)C1CC1(O)C=C;CSPIWWCRIMPNEE-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328576;MM328576;C=C(CC)CC(CO)OC;WVTXQCLCMQUQMH-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328577;MM328577;C=C(CO)CC(CO)OC;OQJRGUKEQLKGLF-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328578;MM328578;C#CC(O)C1CC1(O)C=O;CPNXVZCYWHDKMI-UHFFFAOYSA-N;140.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328579;MM328579;C#CC(O)C1CC1(O)C#N;RARUTIJDHSWKPE-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328580;MM328580;CCC(=O)CC(CC)OC;MZDFIPSLLYIRQU-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328581;MM328581;C#CC(F)C1CC1(O)C=C;BSBUXRMRKBXSDO-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328582;MM328582;CCC(=O)CC(CO)OC;PERFRCRPBCVKFI-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328583;MM328583;C#CC(F)C1CC1(O)C=O;WUMNBSQUFFJQKI-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328584;MM328584;COC(CO)CC(=O)CO;NFUAUDCFRSKSTR-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328585;MM328585;C#CC(C)C1CC1(F)C=C;QYOOZCUAWSFEHA-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328586;MM328586;CCC(=O)CC(CF)OC;SVUFZQDVRPTITN-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328587;MM328587;C#CC(C)C1CC1(F)C=O;MBGWSJBAGXAALP-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328588;MM328588;COC(CN)CC(=N)NO;KFYFUPWEWDVARK-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328589;MM328589;CNC(=N)CC(CO)OC;DJGAOWFVKNJBRP-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328590;MM328590;C#CC(C)C1CC1(F)C#N;ZGQYLEIKSGQYRN-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328591;MM328591;C#CC(N)C1CC1(F)C=C;QDCBQMAIVIKZCD-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328592;MM328592;COC(CO)CC(=N)NN;ZHIHUUAKFJHPPM-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328593;MM328593;C#CC(O)C1CC1(F)C=C;JUEZABOPILHZOR-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328594;MM328594;COC(CO)CC(=N)NO;CNXCKKQJCYEGKP-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328595;MM328595;C#CC(O)C1CC1(F)C=O;XVPUHDKWFAWKFT-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328596;MM328596;CNC(=O)CC(CO)OC;DMDXAUFBCLSWTI-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328597;MM328597;C#CC(O)C1CC1(F)C#N;WHBXYISBYLJHTA-UHFFFAOYSA-N;139.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328598;MM328598;CC(C)C#CC(C)CCO;HXWMNGGXVHCWOW-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328599;MM328599;C#CC(F)C1CC1(F)C=C;OSJBNNJITXBORN-UHFFFAOYSA-N;142.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328600;MM328600;COC(CO)CC(=O)NO;ATQCCLPJYLMLPW-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328601;MM328601;C#CC(F)C1CC1(F)C=O;BRJHCANSZHOBRP-UHFFFAOYSA-N;144.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328602;MM328602;CNC(=O)CC(CF)OC;ZCJGUJCBZSTSLM-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328603;MM328603;C#CC(C)C1NC1(C)C#N;AAIMGTVGMHDVCK-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328604;MM328604;CC=C(C)C(C)=CC(N)=O;KAGPIKDZBUBUSZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328605;MM328605;COCCC(C)=C(C)CO;UIRIOMKZULJTIA-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328606;MM328606;C=C(CC(CC)OC)OC;CNXVRNHZGVSFOI-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328607;MM328607;CC(CO)=C(C)CCC=O;KRJPRRWIVBXJRS-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328608;MM328608;C=C(CC(CO)OC)OC;AUJPWTUDWKTQFZ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328609;MM328609;C#CC(O)C1NC1(C)C#N;DEIRKKUYYBLNNE-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328610;MM328610;CCC(CC(=O)OC)OC;HJKKRHMJWMESEF-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328611;MM328611;C#CC(F)C1NC1(C)C#N;UPLCWPRFRVURHG-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328612;MM328612;COC(=O)CC(CN)OC;VQMCIOCVNDYQIJ-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328613;MM328613;C#CC(C)C1OC1(C)C=C;QBBBOMXHNVXDNA-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328614;MM328614;COC(=O)CC(CO)OC;PDVJADLFXHEMLA-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328615;MM328615;C#CC(C)C1OC1(C)C=O;HQUOFBKVCSYWQE-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328616;MM328616;C=C(CC)CC(OC)OC;XHFHPUGBQGEHQH-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328617;MM328617;C#CC(C)C1OC1(C)C#N;LPWDELQRQWOWOQ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328618;MM328618;C=C(CF)CC(OC)OC;WPLFXMFIZRPNSJ-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328619;MM328619;C#CC(N)C1OC1(C)C=C;FLACTAQJWDUYIP-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328620;MM328620;COC(CC(=N)NN)OC;LMXMOIYWEVKEFV-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328621;MM328621;C#CC(C)N1CC1(C)C=C;BTUYVVWHMAFIBV-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328622;MM328622;COC(CC(=N)NO)OC;ZQRTXHSHQACUDW-UHFFFAOYSA-N;148.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328623;MM328623;C#CC(C)N1CC1(C)C#N;WSVLZBKUZCXBSM-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328624;MM328624;C=CC(C=CC)CC(N)=O;ZUNNORBAQCXZJF-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328625;MM328625;C#CC1(C)CC1C(C)CC;IHXVIGMBHFQHAT-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328626;MM328626;CCC(=N)NC(CC)CC;PBYYOMFQPLCYMW-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328627;MM328627;C#CC1(C)CC1C(C)CN;BNNJCBQZPQKLHX-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328628;MM328628;CCC(CC)NC(=N)CO;XDWLWXPARVWDPL-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328629;MM328629;CCC(CN)NC(=N)CN;AUZSTQHHZZYOPT-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328630;MM328630;CC(CO)=C(C)CCC#N;WFQIVALKRUVWRR-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328631;MM328631;CCC(CN)NC(=N)CO;CTRBACCMGLCBJL-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328632;MM328632;C#CC1(C)CC1C(N)CC;RBTKUTPIWCOWLK-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328633;MM328633;CCC(CO)NC(=N)CN;WPCKZUPEWDNICM-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328634;MM328634;C#CC1(C)CC1C(N)CN;UTEXNEUSFLKPAQ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328635;MM328635;CCC(=N)NC(CC)CF;PLAISKOFJRWZGO-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328636;MM328636;C#CC1(C)CC1C(N)CO;OLCTVNXAXRYHPQ-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328637;MM328637;CCC(=N)NC(CN)CN;HUBFUFLMSKORCJ-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328638;MM328638;C#CC1(C)CC1C(N)CF;VWPMZTHYEAUKRK-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328639;MM328639;N=C(CN)NC(CN)CN;KKYOLCGJYJWRCV-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328640;MM328640;CC=C(CO)CCCCC;FLTMVJKGMOWNIE-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328641;MM328641;N=C(CO)NC(CN)CN;PTBYXZUNQSTFTA-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328642;MM328642;C#CC1(C)CC1C(O)CN;AOZHCTOULGGSSH-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328643;MM328643;CCC(=N)NC(CN)CO;BCBXDQYSTMKTTQ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328644;MM328644;C#CC1(C)CC1C(O)CF;LTENJTUHFNULDS-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328645;MM328645;N=C(CO)NC(CN)CO;GHWNYYROFKYXGW-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328646;MM328646;C#CC1(C)CC1C(F)CC;XDGUQNJXJNOHRE-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328647;MM328647;CCC(=N)NC(CN)CF;CQAZZFFRRJWYTR-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328648;MM328648;C#CC1(C)CC1C(F)CN;UFNGGUOBWKTNPA-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328649;MM328649;N=C(CO)NC(CN)CF;RJTNEAGELKEHSE-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328650;MM328650;C#CC1(C)CC1C(F)CO;DFKNWQRVSSZXCE-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328651;MM328651;N=C(CN)NC(CO)CO;JCZOJVPONMILPO-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328652;MM328652;C#CC1(C)CC1C(F)CF;WZVVQNYTVMADFM-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328653;MM328653;N=C(CO)NC(CF)CF;HBZQZRHTBNKFKR-UHFFFAOYSA-N;152.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328654;MM328654;C#CC1(N)CC1C(C)CC;PTDGEQKKYIGAAF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328655;MM328655;C=CC(=CC(N)=O)CCC;YQHWOMUNIWELIJ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328656;MM328656;C#CC1(N)CC1C(C)CN;YFHBOXAGKWQORT-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328657;MM328657;CCC(CC)NC(=O)CO;OEQQUDOTVPIHED-UHFFFAOYSA-N;145.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328658;MM328658;C#CC1(N)CC1C(C)CO;UDUZSQYYHJAOLV-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328659;MM328659;CCC(CN)NC(=O)CN;YCTJYPPHYWOMDW-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328660;MM328660;C#CC1(N)CC1C(N)CC;XSVRHPHFOWLOKP-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328661;MM328661;CCC(CN)NC(=O)CO;NBRSBDKUZPVACU-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328662;MM328662;C#CC1(N)CC1C(N)CN;JAYXSDAITLCPNS-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328663;MM328663;CCC(CN)NC(=O)CF;DMKSPPAQYMZADV-UHFFFAOYSA-N;148.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328664;MM328664;C#CC1(N)CC1C(N)CO;GSGKYSYYDFXNBM-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328665;MM328665;CCC(=O)NC(CC)CF;GQOQCFCDPJGCSV-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328666;MM328666;C#CC1(N)CC1C(O)CC;SFHCPTGOEPGJAF-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328667;MM328667;CCC(CF)NC(=O)CO;VQYUUEXDICVHQK-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328668;MM328668;C#CC1(N)CC1C(O)CN;FDOAOHIYMHSFNG-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328669;MM328669;CCC(=O)NC(CN)CN;JOIWELSYUTTWSW-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328670;MM328670;C#CC1(N)CC1C(O)CO;WZDFEHPKHXFHGN-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328671;MM328671;NCC(=O)NC(CN)CN;PLJMISHYUKJMLP-UHFFFAOYSA-N;146.19;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328672;MM328672;C#CC1(N)CC1C(F)CC;VCYNDTIDOAHNRK-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328673;MM328673;NCC(=O)NC(CN)CO;GUVHBQCRCDXUOC-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328674;MM328674;C#CC1(N)CC1C(F)CN;UQZONZLXIVSJFU-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328675;MM328675;CCC(=O)NC(CO)CO;HSQLIHQKMIJWSS-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328676;MM328676;C#CC1(N)CC1C(F)CO;NLAJERBBGQDKMK-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328677;MM328677;O=C(CO)NC(CO)CO;WUOBBJCNDYYTAI-UHFFFAOYSA-N;149.15;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328678;MM328678;C#CC1(N)CC1C(F)CF;KYOLRLLLXMWOPA-UHFFFAOYSA-N;145.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328679;MM328679;O=C(CF)NC(CO)CO;NWGKCIAJBJAKST-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328680;MM328680;C#CC1(O)CC1C(C)CC;PDQDCHIJKNKOES-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328681;MM328681;O=C(CO)NC(CO)CF;BMAZAYVDKJHZTQ-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328682;MM328682;C#CC1(O)CC1C(C)CN;LVLBKVIHSAJISD-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328683;MM328683;CCC(CC)NC(=N)NC;JBGJBTYQEJAUBN-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328684;MM328684;C#CC1(O)CC1C(C)CO;KZDBMRIFBGAESK-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328685;MM328685;CCC(CC)NC(=N)NN;LBQRZDLDNXUMOM-UHFFFAOYSA-N;144.22;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328686;MM328686;C#CC1(O)CC1C(N)CC;GGNSPPQWAZUBTH-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328687;MM328687;CCC(CC)NC(=N)NO;CFBFTTNRGBRYHA-UHFFFAOYSA-N;145.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328688;MM328688;C#CC1(O)CC1C(N)CN;BHFWUGKCTNSNKB-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328689;MM328689;CCC(CN)NC(=N)NC;XFAMVLJKULAULB-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328690;MM328690;C#CC1(O)CC1C(N)CO;ZYJPJTWZYBOOSY-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328691;MM328691;CNC(=N)NC(CN)CN;XIIZCIQDYMQXTM-UHFFFAOYSA-N;145.21;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328692;MM328692;C#CC1(O)CC1C(O)CC;XBYNCKSBTXZDAX-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328693;MM328693;N=C(NO)NC(CN)CO;NMKLBRUWHGOBJJ-UHFFFAOYSA-N;148.17;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328694;MM328694;C#CC1(O)CC1C(O)CN;CSIMGWSLQMITGC-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328695;MM328695;CNC(=N)NC(CO)CF;TXUSVHOJFMJJPQ-UHFFFAOYSA-N;149.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328696;MM328696;C#CC1(O)CC1C(O)CO;XPUHYKMEMXSWBX-UHFFFAOYSA-N;142.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328697;MM328697;CCC(CC)NC(=O)NC;WSPHTOIGRZULIC-UHFFFAOYSA-N;144.22;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328698;MM328698;C#CC1(O)CC1C(F)CC;JPJFFUBYGXDCJK-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328699;MM328699;C=CC(CC(N)=O)C(=C)C;XIXLPRARSFWXHP-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328700;MM328700;C#CC1(O)CC1C(F)CF;UZHGDBLSWAGAPK-UHFFFAOYSA-N;146.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328701;MM328701;CCC(CN)NC(=O)NC;MQEQZZGDPPPDCW-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328702;MM328702;C#CC1(F)CC1C(C)CC;SEJLMGOCYSLTDK-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328703;MM328703;CCC(CN)NC(=O)NO;ITWRSUCFNFVENB-UHFFFAOYSA-N;147.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328704;MM328704;CCC(CO)NC(=O)NC;LPIICDOTEHHWAK-UHFFFAOYSA-N;146.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328705;MM328705;C#CC1(F)CC1C(C)CN;PQWJHHPANAWVTR-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328706;MM328706;CCC(CF)NC(=O)NC;HETXNMJWTKLXQH-UHFFFAOYSA-N;148.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328707;MM328707;C#CC1(F)CC1C(C)CO;YJKUIRJMSBTBHO-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328708;MM328708;CCC(CF)NC(=O)NO;QEWFVUDLZOAHID-UHFFFAOYSA-N;150.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328709;MM328709;C#CC1(F)CC1C(C)CF;KYRZABJPWYYKHD-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328710;MM328710;CNC(=O)NC(CN)CN;PGNYIJGUSPGPGB-UHFFFAOYSA-N;146.19;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328711;MM328711;C#CC1(F)CC1C(N)CC;QAQHTBZPGIDUGM-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328712;MM328712;CNC(=O)NC(CN)CO;ZQJATEHXZAVWFI-UHFFFAOYSA-N;147.18;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328713;MM328713;C#CC1(F)CC1C(N)CN;ATKSYOXQJNAVPN-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328714;MM328714;NCC(CO)NC(=O)NO;GWXHMHIXABOEKC-UHFFFAOYSA-N;149.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328715;MM328715;C#CC1(F)CC1C(O)CC;YPSZIWIHTHUPIF-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328716;MM328716;C=CC(=CC(N)=O)C(C)C;YBDDNCPBIIFUGN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328717;MM328717;C#CC1(F)CC1C(O)CN;MHVSWXINTKEKNV-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328718;MM328718;O=C(NO)NC(CO)CO;UYMPRXRJFHPPDL-UHFFFAOYSA-N;150.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328719;MM328719;C#CC1(F)CC1C(O)CO;FBERUQWAWNSWNI-UHFFFAOYSA-N;144.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328720;MM328720;CCC(CO)NC(=O)OC;WQAATXXPXAPGNT-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328721;MM328721;C#CC1(F)CC1C(O)CF;NHWQKSHJNULNFX-UHFFFAOYSA-N;146.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328722;MM328722;COC(=O)NC(CN)CO;LUONOTSSIHGLMS-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328723;MM328723;C#CC1(F)CC1C(F)CC;MQKLTYCHISZMPT-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328724;MM328724;COC(=O)NC(CO)CO;LRUDUYLCXCHMID-UHFFFAOYSA-N;149.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328725;MM328725;C#CC1(F)CC1C(F)CN;OYKBSECWVAAQIO-UHFFFAOYSA-N;145.15;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328726;MM328726;C=C(CC)OC(CC)CC;UNBHIDULOJLPBU-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328727;MM328727;C#CC1(F)CC1C(F)CO;BVOXFORNMGIHAP-UHFFFAOYSA-N;146.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328728;MM328728;C=C(CN)OC(CC)CC;DZLMURHELFRHCO-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328729;MM328729;C#CC1(F)CC1C(F)CF;SAKPHALTDOJIRH-UHFFFAOYSA-N;148.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328730;MM328730;C=C(CO)OC(CC)CC;RXZGJHWXSHBKIS-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328731;MM328731;C#CC1(C)CC1C(C)NC;HYSNDFXQDTWSKE-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328732;MM328732;C=C(CN)OC(CC)CN;VHUZUTGKFIEOSX-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328733;MM328733;C#CC1(N)CC1C(C)NC;QTVNNBWSHRQIHQ-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328734;MM328734;C=C(CO)OC(CC)CN;XKPCCDYDJDJELG-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328735;MM328735;C#CC1(O)CC1C(C)NC;JJVQSVLHTHZWOR-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328736;MM328736;C=C(CF)OC(CC)CN;OFIRAHMDXRGUME-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328737;MM328737;C#CC1(F)CC1C(C)NC;XAOCTADDTWNBLQ-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328738;MM328738;C=C(CN)OC(CC)CO;OLDNEURHXRJHPA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328739;MM328739;C#CC1(C)CC1C(C)OC;MOTAKUKWHOWEOZ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328740;MM328740;C=C(CC)OC(CC)CF;QUGQFMYCDZUZAT-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328741;MM328741;C#CC1(N)CC1C(C)OC;GMWHRUZJYYJXHB-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328742;MM328742;C=C(CN)OC(CC)CF;SOCMBQXCILTWIT-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328743;MM328743;C#CC1(O)CC1C(C)OC;JUCKMLFEOIBXQH-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328744;MM328744;C=C(CN)OC(CN)CN;BGOZFEKCAQDYBD-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328745;MM328745;C#CC1(F)CC1C(C)OC;LHYLFKFUCZOZQQ-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328746;MM328746;C=C(CC)OC(CN)CO;ZOSZBPRZMRRRGE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328747;MM328747;C=C(CN)OC(CN)CO;ZXIWBRNLOGODTC-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328748;MM328748;C#CC1(C)CC1N(C)CC;BXGFPMPFAKTHLR-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328749;MM328749;C=C(CO)OC(CN)CO;NNUWTEPVLYHCQT-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328750;MM328750;C#CC1(N)CC1N(C)CC;YFHJHGWENZAHSH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328751;MM328751;C=C(CN)OC(CO)CO;LXWPTCOAPLNQAF-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328752;MM328752;C#CC1(O)CC1N(C)CC;FXDHEJSMXCDNMF-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328753;MM328753;C=C(CO)OC(CO)CO;YYMPVSSJJCXAPU-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328754;MM328754;C#CC1(C)NC1C(C)CC;GTBGPCZVVNOIBI-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328755;MM328755;CCC(=O)OC(CC)CC;VQSLYBNAHOGNCE-UHFFFAOYSA-N;144.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328756;MM328756;CC=C(CO)CCCCF;MXJGIOIYCUZMEK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328757;MM328757;CCC(CC)OC(=O)CO;BLIIVYYBCJYORD-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328758;MM328758;C#CC1(C)NC1C(N)CC;NDRWOAFKKRGOTK-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328759;MM328759;CCC(CC)OC(=O)CF;ZCDBURAFFVUSKE-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328760;MM328760;C#CC1(C)NC1C(N)CN;JWNDBXOAJSQHNN-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328761;MM328761;CCC(=O)OC(CC)CN;FBTCOYKKCJFSGH-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328762;MM328762;C#CC1(C)NC1C(N)CO;PMKFRGZKIZDSKC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328763;MM328763;CCC(CN)OC(=O)CN;QJDZHHSEZHCJKK-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328764;MM328764;CC=C(CO)CCCOC;RRBMHQLVQWLJMY-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328765;MM328765;CCC(CO)OC(=O)CO;KYFPHXRDSBBQKY-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328766;MM328766;C#CC1(C)NC1C(O)CN;YPWDRBDDQYBDRN-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328767;MM328767;CCC(=O)OC(CC)CF;PFVLBMTVWVGONU-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328768;MM328768;C=CCCCC(=CC)CO;TWLQZFTXOPHQAH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328769;MM328769;CCC(CF)OC(=O)CF;NFEYRDFKCCKRMH-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328770;MM328770;C#CC1(C)NC1C(F)CC;LVTAGJKEOACICF-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328771;MM328771;CCC(=O)OC(CN)CN;XUFWAGTYZUUOLV-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328772;MM328772;C#CC1(C)NC1C(F)CN;SFEBXAXPGCAWJB-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328773;MM328773;NCC(CN)OC(=O)CO;VCQCENDWPDQJKY-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328774;MM328774;C#CC1(C)NC1C(C)NC;OWQGLLFCMXTVMK-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328775;MM328775;NCC(=O)OC(CN)CO;AQNCRBJBKFASRT-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328776;MM328776;C#CC1(C)NC1C(C)OC;MNQYUFAUXHPHRX-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328777;MM328777;NCC(CO)OC(=O)CO;LUKDMWYIJMQBLG-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328778;MM328778;C#CC1(C)OC1C(C)CC;SYDADSGSCWNZPN-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328779;MM328779;NCC(CO)OC(=O)CF;ABFVJNSHUXMTHB-UHFFFAOYSA-N;151.14;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328780;MM328780;C#CC1(C)OC1C(C)CN;LMTNOFNOFMKCRF-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328781;MM328781;O=C(CO)OC(CO)CO;CNJNFHLPCLWFQI-UHFFFAOYSA-N;150.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328782;MM328782;C#CC1(C)OC1C(C)CO;MNYNKTCYEUKITH-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328783;MM328783;CCC(=O)OC(CF)CF;HMBPASZPLOIYQG-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328784;MM328784;C#CC1(C)OC1C(N)CC;ACAXPZWJWUXKKT-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328785;MM328785;CCC(CC)OC(=N)NC;IZVBSQVFIMCGHO-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328786;MM328786;C#CC1(C)OC1C(N)CN;HZOZQMFEPXZWMZ-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328787;MM328787;CCC(CN)OC(=N)NC;QQMKXNHUOIELGE-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328788;MM328788;C#CC1(C)OC1C(N)CO;AYZYHBPOASBOLI-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328789;MM328789;CCC(CN)OC(=N)NO;DDFGLGKWNZFBPR-UHFFFAOYSA-N;147.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328790;MM328790;C#CC1(C)OC1C(O)CC;WFTDKPRLQCZKPM-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328791;MM328791;CCC(CO)OC(=N)NC;PAOFYCRNKFVCHG-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328792;MM328792;C#CC1(C)OC1C(O)CN;JNWGHQDPUMNTAK-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328793;MM328793;CNC(=N)OC(CN)CN;XXLQKXSYTIUECW-UHFFFAOYSA-N;146.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328794;MM328794;C#CC1(C)OC1C(O)CF;XHWAAVIZEAEHTD-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328795;MM328795;N=C(NO)OC(CN)CN;WXXHADFYISOUML-UHFFFAOYSA-N;148.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328796;MM328796;C#CC1(C)OC1C(F)CC;HQGILDNLFOJLPY-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328797;MM328797;CNC(=N)OC(CN)CO;AVWRKVIFAWODCO-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328798;MM328798;C#CC1(C)OC1C(F)CN;UZJMEMMTNALYQY-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328799;MM328799;N=C(NO)OC(CN)CO;XQMABLYDONLECL-UHFFFAOYSA-N;149.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328800;MM328800;C#CC1(C)OC1C(F)CO;KWLIOHDRTJWZMX-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328801;MM328801;CNC(=N)OC(CO)CO;HEYZSLAQWKQYOB-UHFFFAOYSA-N;148.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328802;MM328802;C#CC1(C)OC1C(C)NC;SEFJXLDPXGKPND-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328803;MM328803;CCC(CC)OC(=O)NC;PODRLBFYUOKQRO-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328804;MM328804;C#CC1(C)OC1C(C)OC;MFRNBMVSVAHRFW-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328805;MM328805;CCC(C)(C)CC1CC1O;YALGWARYPWOONU-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328806;MM328806;C#CC1(C)CN1C(C)CC;CXNKBBGQHDCHPI-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328807;MM328807;CNC(=O)OC(CN)CN;SVSRRBHPMYKWOF-UHFFFAOYSA-N;147.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328808;MM328808;C#CC1(C)CN1C(C)CN;DLLPECPFMGABMT-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328809;MM328809;O=C(NO)OC(CO)CO;CMBDRLGUUNYKRT-UHFFFAOYSA-N;151.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328810;MM328810;CC=C(CO)CCCC=O;ZOGVAQYJZPGFOM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328811;MM328811;O=C(NO)OC(CO)CF;OVRNFQDNZPNVDN-UHFFFAOYSA-N;153.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328812;MM328812;C#CC1(C)CC1C(C)C=C;ZZZSMWHJMZLJRZ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328813;MM328813;CCC(CC)OC(=O)OC;KDICAEBQXMASAR-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328814;MM328814;C#CC1(C)CC1C(C)C=O;DNCIERQOVXYEEU-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328815;MM328815;CCC(CF)OC(=O)OC;FYRXKBLXSNSLCR-UHFFFAOYSA-N;150.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328816;MM328816;C#CC1(C)CC1C(C)C#N;CENMHZBYOOJVHG-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328817;MM328817;COC(=O)OC(CN)CN;FABRTJOBLHLOLT-UHFFFAOYSA-N;148.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328818;MM328818;C#CC1(C)CC1C(N)C=C;XAWORGPSEXAPOY-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328819;MM328819;C=C(CO)OC(CC)OC;ITYVVJGVIGXAMD-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328820;MM328820;CC=C(CO)CCCC#N;VWDDUCUWSUMZCA-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328821;MM328821;C=C(CN)OC(CN)OC;OGQSTELFIWHDQQ-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328822;MM328822;C#CC1(C)CC1C(O)C=O;IRYBONCCEKBWGW-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328823;MM328823;C=C(CO)OC(CN)OC;VDNVLOFZCJSPBP-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328824;MM328824;C#CC1(C)CC1C(O)C#N;NHZRBLOFPNTRAZ-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328825;MM328825;C=C(CF)OC(CN)OC;ZETJQXIBNLANMT-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328826;MM328826;C#CC1(C)CC1C(F)C=C;SSQXHFSYYBDMDO-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328828;MM328828;C=C(CN)OC(CO)OC;QGUWRTJYKNYHMO-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328827;MM328827;C#CC1(C)CC1C(F)C=O;KSEDVOCGQRBFMB-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328829;MM328829;C#CC1(C)CC1C(F)C#N;FSAZCJWBLNKAAI-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328830;MM328830;C=C(CN)OC(CF)OC;LWIHWLAQGDXQRJ-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328831;MM328831;C#CC1(N)CC1C(C)C=C;LYBYPXCZMGWQHU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328832;MM328832;CCC(=O)OC(CC)OC;VLZABXRJLZXOHM-UHFFFAOYSA-N;146.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328833;MM328833;C#CC1(N)CC1C(N)C=C;XGDZVGPNIDDLKS-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328834;MM328834;COC(CN)OC(=O)CO;MHEOQLDDELENJY-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328835;MM328835;C#CC1(N)CC1C(O)C=C;HCURQRDGWLJNBX-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328836;MM328836;COC(CN)OC(=O)CF;AXTLDIRWOWVKBC-UHFFFAOYSA-N;151.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328837;MM328837;C#CC1(N)CC1C(F)C=C;HAHICKFFAQNWNW-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328838;MM328838;COC(CO)OC(=O)CO;PSDYAJUTSPUYNN-UHFFFAOYSA-N;150.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328839;MM328839;C#CC1(O)CC1C(C)C=C;IBJNQFXIURGBRJ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328840;MM328840;CNC(=N)OC(CF)OC;JIQPHHLVXKLVCD-UHFFFAOYSA-N;150.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328841;MM328841;C#CC1(O)CC1C(C)C#N;LLJCPAKEBLXXPM-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328842;MM328842;CC(C)(CO)CC1CC1O;OFZPKGFUQZWTTK-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328843;MM328843;C#CC1(O)CC1C(N)C=C;AUHYNFFANURPJG-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328844;MM328844;CNC(=O)OC(CN)OC;KLWLVEGUNNOAKJ-UHFFFAOYSA-N;148.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328845;MM328845;C#CC1(O)CC1C(O)C=C;PZVIHPYAVKMMSF-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328846;MM328846;CNC(=O)OC(CO)OC;QMVUZDXBXHELCU-UHFFFAOYSA-N;149.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328847;MM328847;C#CC1(O)CC1C(O)C=O;LTTSVERPGDWYGI-UHFFFAOYSA-N;140.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328848;MM328848;CC(C)(CF)CC1CC1O;CDIDBVHGAGBKKS-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328849;MM328849;C#CC1(O)CC1C(O)C#N;DDOICSUUMUBXJI-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328850;MM328850;C=C(CC)CN(CC)CC;FUCWCWAPJZUTGV-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328851;MM328851;C#CC1(O)CC1C(F)C=C;GCNYZPWZLPLWGM-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328852;MM328852;C=C(CN)CN(CC)CC;FCVWORSLANDZNK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328853;MM328853;C#CC1(O)CC1C(F)C=O;KMLFZRJSPNYZNF-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328854;MM328854;C=C(CF)CN(CC)CC;PZXWWEBYVIFLSD-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328855;MM328855;C#CC1(F)CC1C(C)C=C;JWBKCENAURGJIJ-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328856;MM328856;CCN(CC)CC(=N)NC;PYIIGZRIJLEWQB-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328857;MM328857;C#CC1(F)CC1C(C)C=O;VMKNKSLYCFDBFD-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328858;MM328858;CCN(CC)CC(=N)NN;UXXLOKXEWDDQRU-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328859;MM328859;C#CC1(F)CC1C(C)C#N;ZKRHFLYDOSRPGZ-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328860;MM328860;CCN(CC)CC(=N)NO;HZXULNVBFPVHLU-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328861;MM328861;C#CC1(F)CC1C(N)C=C;ZVNADMURXAIHKY-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328862;MM328862;CCN(CC)NC(=N)CN;BQYLCJFUHCXZBE-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328863;MM328863;C#CC1(F)CC1C(O)C=C;ROWUJCZUUOAPFO-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328864;MM328864;C=CCCC#CCC(C)O;COYAIOLCXXIWKE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328865;MM328865;C#CC1(F)CC1C(O)C=O;XFFHDUUJHHZCRP-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328866;MM328866;CCN(CC)NC(=O)CO;RHVFNTFEKFFLMH-UHFFFAOYSA-N;146.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328867;MM328867;C#CC1(F)CC1C(O)C#N;RDAIJZAVPBVHQZ-UHFFFAOYSA-N;139.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328868;MM328868;CCN(CC)NC(=O)CF;HRIXMQLTXDLFNM-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328869;MM328869;C#CC1(F)CC1C(F)C=C;SEZFSKVTPMDCPH-UHFFFAOYSA-N;142.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328870;MM328870;CCN(CC)NC(=O)NO;OGNUQKWZBNLZMB-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328871;MM328871;C#CC1(F)CC1C(F)C=O;ZSQXUZQHJJGSHZ-UHFFFAOYSA-N;144.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328872;MM328872;C=CC(=C)CC(CC)CC;ACZRYOLMRNRBCR-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328873;MM328873;C#CC1(F)CC1C(F)C#N;SNXSOZCZBMMZET-UHFFFAOYSA-N;141.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328874;MM328874;C=C(C=O)CC(CC)CC;DLOKFBOFZLQSDK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328875;MM328875;C#CC1(C)CC1N(C)C=N;CHADEVQMDOMFOH-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328876;MM328876;C=C(C#N)CC(CC)CC;IJRDJOFIQZFIDT-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328877;MM328877;C#CC1(C)CC1N(C)C=O;DOZRVWRCACRDDA-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328878;MM328878;C=CC(=C)CC(CC)CN;ZPHJEVWMDHTASW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328879;MM328879;C#CC1(C)CC1N(N)C=N;HALIAWKQCIEKBV-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328880;MM328880;C=CCC1(C)CC1CCO;CCOOLQHFMWIIIU-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328881;MM328881;C#CC1(C)CC1N(N)C=O;HZMNFVSWGKFAGD-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328882;MM328882;CC(C)C1(C)CC1CCO;RAIFEOYBWOMSRP-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328883;MM328883;C#CC1(N)CC1N(C)C=N;HJOFSDLIUOCZOB-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328884;MM328884;CC1CC1(C)CC1CC1O;GCXYNZGKAVCHBF-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328885;MM328885;C#CC1(O)CC1N(C)C=N;WQWDAYLWQHKEDA-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328886;MM328886;C=CC(=C)CC(CC)CF;CJZPGMJFJIZTML-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328887;MM328887;C#CC1(O)CC1N(C)C=O;VCYUEMGXTDODFO-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328888;MM328888;C=C(C=O)CC(CC)CF;WIRDAVXPQVLFQK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328889;MM328889;C#CC1(O)CC1N(N)C=N;RXJOEEWZXKPEEL-UHFFFAOYSA-N;139.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328890;MM328890;C=CC(=C)CC(CN)CF;KRWCAUCNIZLCRG-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328891;MM328891;C#CCCCC(=CC)CO;WRGDTSWJCSLZGM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328892;MM328892;C=CC(=C)CC(CO)CO;OEMBFMLKYXHPHZ-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328893;MM328893;C#CC1(F)CC1N(C)C=N;FSRDIEJZLHYQOQ-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328894;MM328894;C=CC(=C)CC(CF)CF;OYZCXEQTWRDZMT-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328895;MM328895;C#CC1(F)CC1N(C)C=O;PZFSMFAZJROLHS-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328896;MM328896;C=C(C=O)CC(CF)CF;LNLHDBKJVPZBGB-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328897;MM328897;C#CC1(F)CC1N(N)C=N;MXCZSPMJQSXBED-UHFFFAOYSA-N;141.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328898;MM328898;C=C(C#N)CC(CF)CF;SPWINQSCKHFUPZ-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328899;MM328899;C#CC1(F)CC1N(N)C=O;HLCXFSIQNBNMRH-UHFFFAOYSA-N;142.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328900;MM328900;C=CC(=O)CC(CC)CC;NKGVBAHIGVLKOM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328901;MM328901;C#CC1(C)CC1N(C)N=C;YJMDHHCRTNNQBY-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328902;MM328902;CCC(CC)CC(=O)C=O;KRZFXMUJARUGJO-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328903;MM328903;C#CCC#CC(CC)CO;DDYGOJOSKIDMRC-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328904;MM328904;CCC(CC)CC(=O)C#N;RFZWFSMVGUOEMJ-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328905;MM328905;C#CC1(F)CC1N(C)N=C;ADJUTZOKRZVYSK-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328906;MM328906;C=CC(=O)CC(CC)CO;SKRUWVJWQFBVQH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328907;MM328907;C#CC1(C)NC1C(C)C=C;DORCNWVRYVQNIX-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328908;MM328908;C=CC(=O)CC(CC)CF;ZAENOPQFFJHLKR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328909;MM328909;C#CC1(C)NC1C(C)C#N;PRUBNNKNSLSPSO-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328910;MM328910;C=CC(=O)CC(CO)CO;KUSNXJFNCJUQIL-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328911;MM328911;C#CC1(C)NC1C(N)C=C;KHNAMEDUBGMPRC-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328912;MM328912;N#CC(=O)CC(CO)CO;YCUHUEISCYPDMT-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328913;MM328913;CCCCC=C(CC)CO;PDUYYXIFAJSIJB-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328914;MM328914;C=CC(=O)CC(CF)CF;UECYLZQDYTUGDX-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328915;MM328915;CCC(=CCCCF)CO;WFLJGDCLSKCMFU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328916;MM328916;C=CC(=C)CC(CC)NC;HWBMFBYNMVUZRB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328917;MM328917;C#CC1(C)NC1C(O)C#N;DLBZZVIGPKKVFD-UHFFFAOYSA-N;136.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328918;MM328918;C=C(C#N)CC(CC)NC;BUABNGUHGRGTAJ-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328919;MM328919;C#CC1(C)NC1C(F)C=C;KIVNRFKIZCPCEI-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328920;MM328920;C=CC(=O)CC(CC)NC;QWTDPLVWXPMEBC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328921;MM328921;CCC(=CCCOC)CO;PGAMPPIGAKGASO-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328922;MM328922;CCC(CC(=O)C=O)NC;WOYXAWZJFZSEAW-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328923;MM328923;C#CC1(C)OC1C(C)C=C;LRZGSLQOPCHLIR-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328924;MM328924;C#CC1(C)OC1C(C)C#N;ICNXUZIMAWZBGY-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328925;MM328925;CNC(CO)CC(=O)C=O;ARUDZNLUUOJRLO-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328926;MM328926;C#CC1(C)OC1C(N)C=C;AJNPUQJFOJEBKT-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328927;MM328927;C=CC(=C)CC(CC)OC;OUJAPWPUWIUSJZ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328928;MM328928;C#CC1(C)OC1C(F)C=C;DORRGUXCMWJGAD-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328929;MM328929;C=C(C#N)CC(CC)OC;JAZDJGVZVKJXNV-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328930;MM328930;C#CC1(C)CN1C(C)C=C;XOECLPWMFVSNMK-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328931;MM328931;C=CC(=C)CC(CN)OC;YBEVAMIQWXOHGN-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328932;MM328932;C=CCCC=C(CC)CO;YFHQTUCIKFGQHH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328933;MM328933;C=C(C=O)CC(CO)OC;MRGRWXYQKRYJRX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328934;MM328934;C#CC1(C)CN1C(C)C#N;VCHNVIBJNDYFSB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328935;MM328935;C=CC(=O)CC(CO)OC;OMIUAQBYSNSZIE-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328936;MM328936;C#CC1(C)CN1N(C)C=N;SLXJDTIMRKXSQT-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328937;MM328937;COC(CO)CC(=O)C=O;GPHHAOMXVACFEO-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328938;MM328938;C#CC1(C)CN1N(C)C=O;LFCNBOLKSMVIKT-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328939;MM328939;COC(CO)CC(=O)C#N;DRKPLNDRUSWUIO-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328940;MM328940;C#CC(C)C1CC1(C)C#C;FQVFETOZLNPHQQ-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328941;MM328941;C=CC(=C)CC(OC)OC;FNOCZZZSAYNPMW-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328942;MM328942;C#CC(N)C1CC1(C)C#C;HBDXIRFRGQMDOE-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328943;MM328943;C=C(C#N)CC(OC)OC;DHXPPFXXCUAKBQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328944;MM328944;C#CC(O)C1CC1(C)C#C;QIRZGGQDHNOLNN-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328945;MM328945;C=CC(=N)NC(CC)CC;IMIHLNLWKJICHO-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328946;MM328946;C#CC(F)C1CC1(C)C#C;YPYGYNYAYGYJOZ-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328947;MM328947;CCC(CC)NC(=N)C#N;CYGKKTLDGHOSEB-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328948;MM328948;C#CC(C)C1CC1(N)C#C;HYIZMBVXRCKSPL-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328949;MM328949;CC1(CC2CC2O)CC1O;VIYHGGXGGSRZTN-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328950;MM328950;C#CC(N)C1CC1(N)C#C;FISUBIQFIPHESY-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328951;MM328951;C=CC(=N)NC(CC)CF;ADCPFPLBIPAXQC-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328952;MM328952;C#CC(O)C1CC1(N)C#C;SCOUIPGLIFLQQD-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328953;MM328953;CCC(CF)N=C(N)C=O;ISINGFNNBDIYNG-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328954;MM328954;C#CC(F)C1CC1(N)C#C;CBFYQIXOBURLLO-UHFFFAOYSA-N;137.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328955;MM328955;C=CC(=N)NC(CN)CN;ZDJKGVMGNNRLNF-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328956;MM328956;C#CC(C)C1CC1(O)C#C;ZXXPWZUZWYIXKG-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328957;MM328957;C=CC(=N)NC(CN)CO;KXTSFMQQOPEFPD-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328958;MM328958;C#CC(N)C1CC1(O)C#C;RXQGUZUKTVNEIJ-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328959;MM328959;C=CC(=N)NC(CO)CO;UTVJFIUJLWSJNZ-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328960;MM328960;C#CC(O)C1CC1(O)C#C;QBYAFCDLPMBAIF-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328961;MM328961;C#CC=NN(C)CCC=O;FQMXAEZLQNGMBI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328962;MM328962;C#CC(F)C1CC1(O)C#C;OSFGINVIZIZRIN-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328963;MM328963;C=C(C#CC=O)C(C)CO;KISAVLPPTGWVTI-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328964;MM328964;C#CC(C)C1CC1(F)C#C;AQCNAWIUGNPRJH-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328965;MM328965;CCC1(C)C(C)C1CCO;UZSAVSBJOSPHHI-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328966;MM328966;C#CC(N)C1CC1(F)C#C;AKNQCFCGCSHJHO-UHFFFAOYSA-N;137.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328967;MM328967;CCC(CC)NC(=O)C=O;CNRPXIFYRRKJIR-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328968;MM328968;C#CC(O)C1CC1(F)C#C;XCGCEHZVNCRCBK-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328969;MM328969;CCC(CC)NC(=O)C#N;DYAPXMZQQWTQAV-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328970;MM328970;C#CC(F)C1CC1(F)C#C;NZCMMYNRXYKIGS-UHFFFAOYSA-N;140.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328971;MM328971;C=CC(=O)NC(CC)CN;PNDQZWYPQPACIE-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328972;MM328972;C#CC(C)C1NC1(C)C#C;KBTCSBACNUUITF-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328973;MM328973;C=CCN(N=C)C(C)C=O;NGOLYNOGKUNFRF-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328974;MM328974;CCC(=CCCC=O)CO;OPUOZRWKPXXFJB-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328975;MM328975;C#CC(C)C1OC1(C)C#C;YXKNYZYASUSUNZ-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328976;MM328976;CCC(CF)NC(=O)C#N;ZADCGKMODRXNBZ-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328977;MM328977;C#CC(C)N1CC1(C)C#C;QANWOICNWAUNAN-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328978;MM328978;C=CC(=O)NC(CO)CO;AJIGYRLOKWOJRJ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328979;MM328979;C=C(CC)C1CC1(C)CC;DGPSMKCZVOJSLJ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328980;MM328980;O=CC(=O)NC(CO)CO;KFVWXGLEAWEJTH-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328981;MM328981;C=C(CN)C1CC1(C)CC;HMZOMNDVCUZZHR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328982;MM328982;N#CC(=O)NC(CO)CO;NHOCKWIXHLGNIQ-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328983;MM328983;C=C(CO)C1CC1(C)CC;BBTGZNFFYUSYKH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328984;MM328984;O=CC(=O)NC(CO)CF;CYJJFGYUOLJDCI-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328985;MM328985;C=C(CF)C1CC1(C)CC;UQHTXNWXWBIZIG-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328986;MM328986;C=CC(=C)OC(CC)CC;RCGOQWPEEMVCGH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328987;MM328987;C=C(CN)C1CC1(C)CN;CFYDCXGMJATQRB-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328988;MM328988;C=C(C=O)OC(CC)CC;KNPQWWKLWRESNX-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328989;MM328989;C=C(CO)C1CC1(C)CN;ZEHVUBFDOJTRFB-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328990;MM328990;C=C(C#N)OC(CC)CC;RPDHVKPBWWUQRT-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328991;MM328991;CCC(=CCCC#N)CO;RSXZNUGVLJFHSU-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328992;MM328992;C=CC(=C)OC(CC)CN;IIDXCGGJDMVUDY-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328993;MM328993;C=C(CN)C1CC1(C)CO;KIRQKCCZBSFXRR-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328994;MM328994;C=C(C=O)OC(CC)CF;PLUIATBVWOGXKB-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328995;MM328995;C#CCCC=C(CC)CO;WTCHACAMLLXAPI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328996;MM328996;C=C(C#N)OC(CC)CF;DOGXTKWROMFIOB-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328997;MM328997;C=C(CC)C1CC1(C)CF;SAJLIHCVCQVYRZ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328998;MM328998;C=CC(=C)OC(CN)CO;MGDBESZPIYRZGB-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM328999;MM328999;C=C(CN)C1CC1(C)CF;KRTWKYAEOXSMLA-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329000;MM329000;C=C(C=O)OC(CO)CO;GEJZVULYPUMZOL-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329001;MM329001;C=C(CF)C1CC1(C)CF;PJKLWKBIZQYSBY-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329002;MM329002;C=C(C#N)OC(CO)CO;OAWIAXKWVDFUBK-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329003;MM329003;CCC(=O)C1CC1(C)CC;YFAIEKUUAGLTPP-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329004;MM329004;C=C(C=O)OC(CO)CF;PTDORUHEXGDBEL-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329005;MM329005;CCC1(C)CC1C(=O)CO;OXDDVCZERARPJF-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329006;MM329006;C=CC(=O)OC(CC)CC;QONHNMFEHWGACQ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329007;MM329007;CCC1(C)CC1C(=O)CF;ULPZQJSGMFGHNN-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329008;MM329008;CCC(CC)OC(=O)C=O;WMZIMAURRJWMFI-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329009;MM329009;CCC(=O)C1CC1(C)CO;UXRCUFUMEFWFBM-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329010;MM329010;CCC(CC)OC(=O)C#N;XDPHASYKAMHNEH-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329011;MM329011;CC1(CO)CC1C(=O)CO;AFEUOZFZIMIMDP-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329012;MM329012;CCC(=O)C1CC1(C)CF;JTVFQRSHYCRILI-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329013;MM329013;C=CC(=O)OC(CC)CO;QQIFWCIRQPKKAH-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329014;MM329014;C=C(CC)C1CC1(N)CC;XQTSMYSFQLJAFB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329015;MM329015;C=CC(=O)OC(CC)CF;KBVZCWYFTVKICA-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329016;MM329016;C=C(CN)C1CC1(N)CC;WIMVEQWRQKEVAN-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329017;MM329017;C=CC(=O)OC(CN)CN;DLXSACJQRLGEKN-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329018;MM329018;C=C(CO)C1CC1(N)CC;KWPQGPQHTDTCJJ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329019;MM329019;C=CC(=O)OC(CO)CO;JFRNJSVEBYGXGP-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329020;MM329020;C=C(CF)C1CC1(N)CC;ZQYBVHCYESSNBF-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329021;MM329021;O=CC(=O)OC(CO)CO;SXDAWJPBBDMTKQ-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329022;MM329022;C=C(CN)C1CC1(N)CN;NPWZWXMCTZQGTA-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329023;MM329023;C=CC(=O)OC(CO)CF;HIKUKRHJUBCNPD-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329024;MM329024;C=C(CO)C1CC1(N)CN;LKRMDMWYKCSQEG-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329025;MM329025;C=C(C#N)OC(CC)OC;CKQXFUJDUQAERV-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329026;MM329026;C=C(CF)C1CC1(N)CN;GUAUJLBXDOYMAR-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329027;MM329027;C=CC(=C)OC(CO)OC;QLZWUMDWNPIXEQ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329028;MM329028;C=C(CC)C1CC1(N)CO;KRJUBOFUIVWFMZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329029;MM329029;C=C(C#N)OC(CO)OC;DXYXQVDICSWMCM-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329030;MM329030;C=C(CN)C1CC1(N)CO;FYXIMWOTPOBTPM-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329031;MM329031;C=CC(=C)OC(CF)OC;UGQNXPREBVYZKC-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329032;MM329032;C=C(CO)C1CC1(N)CO;RMPDNDKOVFWMAR-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329033;MM329033;CCC(OC)OC(=O)C=O;QVGGVUOQXBGQID-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329034;MM329034;C=C(CF)C1CC1(N)CO;CHKWURNXYWWFEM-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329035;MM329035;COC(CO)OC(=O)C=O;LBJLKIWABHEZOY-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329036;MM329036;C=C(CN)C1CC1(N)CF;ZIDQPIKWGCEGAB-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329037;MM329037;COC(CF)OC(=O)C=O;MOAMDJYUYKXCOT-UHFFFAOYSA-N;150.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329038;MM329038;CC#CCC=C(CC)CO;NVJVRUKTFBVKRV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329039;MM329039;C=CC(=C)CN(CC)CC;ZCYKDACWFZTULP-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329040;MM329040;C=C(CN)C1CC1(O)CC;DRLSIPJIIMOSLD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329041;MM329041;C=NN(C)C(C#CC)C=O;DLLNFCZOYGUPNW-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329042;MM329042;C=C(CF)C1CC1(O)CC;OQOZBEOJOHQSLZ-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329043;MM329043;CCN(CC)N=C(N)C=O;DFJAHRCZNMEPIX-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329044;MM329044;C=C(CC)C1CC1(O)CN;UJJOYEAQCGFZTE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329045;MM329045;C#CC(=C)CC(CC)CC;CFKXCEZUDCNUOM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329046;MM329046;C=C(CN)C1CC1(O)CN;LFYQTHFVSCWTBR-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329047;MM329047;C#CC(=C)CC(CC)CN;KTVFLIWHSMBMCT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329048;MM329048;C=C(CO)C1CC1(O)CN;WSLFNBHMOHEQRR-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329049;MM329049;C=CCN(CCC=O)N=C;LULPVEADFUTJMY-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329050;MM329050;C=C(CF)C1CC1(O)CN;AMSAWOJFXYFATE-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329051;MM329051;C#CC(=C)CC(CN)CF;KZTGXKSVQPIUBP-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329052;MM329052;C=C(CC)C1CC1(O)CO;DFGCKTYHEJNAQE-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329053;MM329053;C#CC(=C)CC(CO)CO;KBDZDLVTLWFIQL-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329054;MM329054;C=C(CO)C1CC1(O)CO;DOHSWWMAPBJNHS-UHFFFAOYSA-N;144.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329055;MM329055;C#CC(=C)CC(CO)CF;MPZWWHJVCICLKR-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329056;MM329056;C=C(CF)C1CC1(O)CO;IENGWKOGFPODSY-UHFFFAOYSA-N;146.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329057;MM329057;C#CC(=C)CC(CF)CF;UKFQVDPZZDXESQ-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329058;MM329058;CCC(=O)C1CC1(O)CC;NMPVEOUUYVJIKX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329059;MM329059;C#CC(=O)CC(CC)CC;SELRTTLLSIMPGE-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329060;MM329060;CCC1(O)CC1C(=O)CO;UUOXCONUCCLBDN-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329061;MM329061;C#CC(=O)CC(CC)CO;QTMKPYTXHIOVKP-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329062;MM329062;CCC1(O)CC1C(=O)CF;JBQWCLWQYHTOAP-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329063;MM329063;C#CC(=O)CC(CC)CF;HUPKHXHEUDSCHM-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329064;MM329064;CCC(=O)C1CC1(O)CO;QBNGGVPRSWJDKB-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329065;MM329065;C#CC(=C)CC(CO)OC;ZINXOYJPAHTBSU-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329066;MM329066;O=C(CO)C1CC1(O)CF;BHYNHICPQNYDFI-UHFFFAOYSA-N;148.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329067;MM329067;C#CC(=O)CC(CO)OC;XGWJTPMPIRSBGU-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329068;MM329068;C=C(CC)C1CC1(F)CC;ZCOTUIMDENVSOD-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329069;MM329069;C=C(CN)C1CC1(F)CC;JDFXDZQACFRUEZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329070;MM329070;C#CC(=C)CC(OC)OC;HNVBSWXYSCVACQ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329071;MM329071;C=C(CO)C1CC1(F)CC;LPRGGQMEGGVSJT-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329072;MM329072;C#CC(=O)CC(OC)OC;XVKSEWNCKGCJDN-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329073;MM329073;C=C(CF)C1CC1(F)CC;YJZIGZDGAZTSLD-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329074;MM329074;C#CC(=N)NC(CC)CC;RGQWPLIXUUCSAE-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329075;MM329075;C=C(CC)C1CC1(F)CN;OSAXVJPBZCSUOD-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329076;MM329076;C#CC(=N)NC(CC)CN;XXOCEUQMMDCJKO-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329077;MM329077;C#CC(=N)NC(CC)CF;ZLFNBUVMGWTSKE-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329078;MM329078;C=C(CN)C1CC1(F)CN;CKHMPJHLIQKGHX-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329079;MM329079;C#CC(=N)NC(CN)CN;YXUCZDHBIXJVPB-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329080;MM329080;C=C(CO)C1CC1(F)CN;XQMGDJRTVISQJO-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329081;MM329081;C#CC(=N)NC(CN)CO;LTBFJANVAIFDSI-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329082;MM329082;C=C(CN)C1CC1(F)CO;OTCJQZFLBBMURY-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329083;MM329083;C#CC(=N)NC(CN)CF;WKNBFIGJBHFDSE-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329084;MM329084;C=C(CO)C1CC1(F)CO;PTEURDTYKIKYKZ-UHFFFAOYSA-N;146.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329085;MM329085;C#CC(=N)NC(CO)CO;TYAQNMVVIYZTGX-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329086;MM329086;C=C(CC)C1CC1(F)CF;UMCQYYINTMEJFX-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329087;MM329087;C#CC(=O)NC(CC)CC;RIWXPFOZUYGMBA-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329088;MM329088;CCC(=O)C1CC1(F)CC;JKLICPGXXZZCDR-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329089;MM329089;C#CC(=O)NC(CC)CN;LKRLFGOJANOYMZ-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329090;MM329090;CCC1(F)CC1C(=O)CO;JZYWEIVZDHODFX-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329091;MM329091;C#CC(=O)NC(CC)CO;GHKUQTGMHJQFNF-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329092;MM329092;CCC1(F)CC1C(=O)CF;HACQNJRXJGENGX-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329093;MM329093;C#CC(=O)NC(CO)CO;XBVTWJJBXQSRCD-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329094;MM329094;CCC1(C)CC1C(=N)NC;SWVQUWHUEYWIMB-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329095;MM329095;C#CC(=O)NC(CF)CF;BZQUIMJNYJUWJU-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329096;MM329096;CCC1(C)CC1C(=N)NN;VNPBQHAXKLSQRN-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329097;MM329097;C#CC(=C)OC(CC)CC;UCJSMMHKOYJIOC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329098;MM329098;CCC1(C)CC1C(=N)NO;WAQNTDOUUCSRDQ-UHFFFAOYSA-N;142.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329099;MM329099;C#CC(=C)OC(CC)CN;ZGDPFRXZCZALMV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329100;MM329100;CNC(=N)C1CC1(C)CN;WOSZUQICRLZWIU-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329101;MM329101;C#CC(=C)OC(CC)CF;VWYZDYMZZWTECG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329102;MM329102;CC1(CN)CC1C(=N)NO;YWJIOCBQJOYIIL-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329103;MM329103;C#CC(=C)OC(CN)CN;IROHSLXPBRCCDO-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329104;MM329104;CNC(=N)C1CC1(C)CO;AUQKOZSWQLQTOY-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329105;MM329105;C#CC(=C)OC(CO)CO;JCLPYXOHMGSDDF-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329106;MM329106;CC1(CO)CC1C(=N)NN;NKMSDBACAXJNFJ-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329107;MM329107;C#CC(=O)OC(CC)CC;HRTSRRBMLYMOMA-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329108;MM329108;CC(C)=C1CC=C(CO)C1;HYVWMSJODXKMKW-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329109;MM329109;C#CC(=O)OC(CC)CF;VMAVDLFEWWKSMK-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329110;MM329110;CCC1(C)CC1C(=O)NO;CUGQOAMUMSXRBS-UHFFFAOYSA-N;143.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329111;MM329111;C#CC(=O)OC(CN)CO;VPEDFQIHESMPOI-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329112;MM329112;CNC(=O)C1CC1(C)CN;LRCMPNKESMTDRW-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329113;MM329113;C#CC(=C)OC(CC)OC;RFYHBAFZFMCLBP-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329114;MM329114;CC1(CN)CC1C(=O)NO;HVYIJRHBPCQFLI-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329115;MM329115;C#CC(=C)OC(CN)OC;GIQPOMAZCZUCEL-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329116;MM329116;CNC(=O)C1CC1(C)CO;FGAKPQACNDHIMN-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329117;MM329117;C#CC(=C)OC(CF)OC;MLFBOJBOLKLSJL-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329118;MM329118;CC(C)=C1C=C(CO)CC1;MIWZWIBATKNDQD-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329119;MM329119;C=CC(CC)CC(=C)CC;XNNFOTWGTQNRMN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329120;MM329120;CNC(=O)C1CC1(C)CF;CSMYTGBNGPXGCD-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329121;MM329121;C=CC(CC)CC(=C)CN;WWQNDQLHSBSRLH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329122;MM329122;C=CC(CC)CC(=C)CO;NRDSENYQCQHNBD-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329123;MM329123;CC1(CF)CC1C(=O)NO;PWFPSEDYDQJGIT-UHFFFAOYSA-N;147.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329124;MM329124;C=CC(CC)CC(=C)CF;LRIWPOSNIFTNAZ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329125;MM329125;CCC1(N)CC1C(=N)NC;BRIWTVFCCXHJDW-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329126;MM329126;C=C(CC)CC(C=O)CC;AZUKITCKMOUCRL-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329127;MM329127;CCC1(N)CC1C(=N)NO;RADYCFBXGPZBAO-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329128;MM329128;C=C(CC)CC(C#N)CC;KNVWEITZEBENNB-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329129;MM329129;CNC(=N)C1CC1(N)CN;STHGICNNUBTVRD-UHFFFAOYSA-N;142.21;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329130;MM329130;C=C(CO)CC(C#N)CC;XLSMZTHUSREELV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329131;MM329131;N=C(NO)C1CC1(N)CN;SXOWMFKNHHUMCR-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329132;MM329132;C=C(CF)CC(C#N)CC;UGTYDNJATDISSU-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329133;MM329133;CNC(=N)C1CC1(N)CO;INYXJBYBGNTJDR-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329134;MM329134;C=CC(CN)CC(=C)CC;MORGVWXDMYJPEE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329135;MM329135;N=C(NO)C1CC1(N)CO;AXFKDSPSEOVCKA-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329136;MM329136;C=CC(CN)CC(=C)CO;SSGDXKQLRVXRKO-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329137;MM329137;CCC1(N)CC1C(=O)NC;XDQACHHWOLXAGE-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329138;MM329138;C=CC(CN)CC(=C)CF;FWDZJCKFPWYTLN-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329139;MM329139;CCC1(N)CC1C(=O)NO;PUMBYWYADFUPKF-UHFFFAOYSA-N;144.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329140;MM329140;CCC1(CC)CC1CCO;DLXWYVQVMAXVSS-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329141;MM329141;CNC(=O)C1CC1(N)CN;QKDCIXDQQGHKKM-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329142;MM329142;C=C(CC)CC(C#N)CO;LTYSIUVJXACMLK-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329143;MM329143;NCC1(N)CC1C(=O)NO;JACZDQJZNUWMEC-UHFFFAOYSA-N;145.16;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329144;MM329144;C=C(CO)CC(C#N)CO;HFPOEBMQQNFJKI-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329145;MM329145;CNC(=O)C1CC1(N)CO;HBKNHEBDYLSRDM-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329146;MM329146;C=CC(CF)CC(=C)CN;JFKSIMRLTRMNEU-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329147;MM329147;CCC1(O)CC1C(=N)NC;CVRBJNWFUMHNCD-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329148;MM329148;C=CC(CF)CC(=C)CO;AVIVLBNWGIAYGU-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329149;MM329149;CCC1(O)CC1C(=N)NN;FJVOEZVWAUUOID-UHFFFAOYSA-N;143.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329150;MM329150;C=CC(CF)CC(=C)CF;VYZAXMGDAYFBBJ-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329151;MM329151;CCC1(O)CC1C(=N)NO;BKDBNGOYHMYMCE-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329152;MM329152;C=C(CC)CC(C=O)CF;MEYQBNWYDUZAEM-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329153;MM329153;CNC(=N)C1CC1(O)CN;JDBUUEIODCIISX-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329154;MM329154;C=C(CC)CC(C#N)CF;DBGWMAOETBLAGF-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329155;MM329155;N=C(NO)C1CC1(O)CN;QMFFZRLPROYIDA-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329156;MM329156;C=C(CF)CC(C=O)CF;BHPGGEDMVVUQRV-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329157;MM329157;CNC(=N)C1CC1(O)CO;VDVJRLCIYBVYEH-UHFFFAOYSA-N;144.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329158;MM329158;C=CC(CC)CC(=O)CC;PXPFCUQKJRDXIS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329159;MM329159;N=C(NN)C1CC1(O)CO;PNJLDXCAHZDYCG-UHFFFAOYSA-N;145.16;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329160;MM329160;C=CC(CC)CC(=O)CF;GCDWOYWFIZIZRK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329161;MM329161;N=C(NO)C1CC1(O)CO;PINRITYLEGZUDG-UHFFFAOYSA-N;146.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329162;MM329162;CCC(=O)CC(C#N)CC;WQPSTQXLFZXSCP-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329163;MM329163;CCC1(O)CC1C(=O)NC;MJRZEDBSQWJZOY-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329164;MM329164;CCC(C=O)CC(=O)CF;ZGHNKKWYFYYVEX-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329165;MM329165;CCC=C1CC=C(CO)C1;WLLUJESVZOXMQR-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329166;MM329166;CCC(C#N)CC(=O)CF;HKLZSUACQFJSLJ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329167;MM329167;CCC1(O)CC1C(=O)NO;VCCIYCXSFGRYDW-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329168;MM329168;N#CC(CO)CC(=O)CO;MNBUUAGBMWAMMI-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329169;MM329169;CNC(=O)C1CC1(O)CN;VAWOQGODUMNVPX-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329170;MM329170;C=CC(CF)CC(=O)CC;XFAIDVMGUPRWNX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329171;MM329171;CNC(=O)C1CC1(O)CO;OISLQFSQKKLVTE-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329172;MM329172;C=CC(CF)CC(=O)CF;BLWYFVGUQIZHIC-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329173;MM329173;O=C(NO)C1CC1(O)CO;MEGNESGUGMJXRU-UHFFFAOYSA-N;147.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329174;MM329174;CCC(=O)CC(C#N)CF;CDASHIPVZFSRSD-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329175;MM329175;CCC1(F)CC1C(=N)NC;WJVGSUMMEGDHJK-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329176;MM329176;C=CC(CC)CC(=N)NC;WWVRIFKNEWUYOE-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329177;MM329177;CCC1(F)CC1C(=N)NN;MZMDBMWCGCQKMO-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329178;MM329178;C=CC(CC)CC(=N)NN;JGNSDQBAWFONOD-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329179;MM329179;CCC1(F)CC1C(=N)NO;NZRXZCRLCKGAMT-UHFFFAOYSA-N;146.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329180;MM329180;C=CC(CC)CC(=N)NO;ZUZJAGGPSCILPJ-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329181;MM329181;CNC(=N)C1CC1(F)CN;NYUIWIVNIRULNC-UHFFFAOYSA-N;145.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329182;MM329182;CCC(C=O)CC(=N)NC;RRRSAWFOBZHVSM-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329183;MM329183;N=C(NO)C1CC1(F)CN;KTXIAOVMANVDCU-UHFFFAOYSA-N;147.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329184;MM329184;CCC(C#N)CC(=N)NC;FZIBYIPRNSDYRP-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329185;MM329185;N=C(NO)C1CC1(F)CO;MGVAXZYXLDEVNC-UHFFFAOYSA-N;148.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329186;MM329186;CN=C(N)CC(C=O)CO;WJHQXFPBYIOXLL-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329187;MM329187;CCC1(F)CC1C(=O)NC;GYEDXNZNKDQMKU-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329188;MM329188;CNC(=N)CC(C#N)CO;WEVIQCYXQPXUTG-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329189;MM329189;C=CC=C1CC=C(CO)C1;VNSKOPSMTJNAOV-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329190;MM329190;CCC1(CO)CC1CCO;KFJWGHIOKKUBEF-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329191;MM329191;CNC(=O)C1CC1(F)CN;AWMDWINFVMBFTE-UHFFFAOYSA-N;146.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329192;MM329192;N#CC(CO)CC(=N)NO;FXCNLDRTOAGUMS-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329193;MM329193;CNC(=O)C1CC1(F)CO;OYICBRWHADUNRU-UHFFFAOYSA-N;147.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329194;MM329194;C=CC(CF)CC(=N)NC;FBTLAXUFGJHTNV-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329195;MM329195;C=C(OC)C1CC1(C)CC;JRPSQPLESIZWQP-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329196;MM329196;C=CC(CF)CC(=N)NN;NVNYJISPTZTVSR-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329197;MM329197;C=C(OC)C1CC1(C)CN;NVDBRLNHGBKJSE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329198;MM329198;CN=C(N)CC(C=O)CF;HIVIRYWOGQBJEC-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329199;MM329199;C=C(OC)C1CC1(C)CO;DCYJNAHKTKEVIG-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329200;MM329200;CNC(=N)CC(C#N)CF;XWXSEXYSSHRFMM-UHFFFAOYSA-N;143.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329201;MM329201;C#CC1=CC(=C)C(CO)=C1;HXWLZMJNEZGOED-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329202;MM329202;C=C(OC)C1CC1(C)CF;KGOMEKMWCGIOAL-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329203;MM329203;OCC1(CC2CC2O)CC1;WIDQCDURVMLEAU-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329204;MM329204;CCC1(C)CC1C(=O)OC;XWASCDUCQFDFLA-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329205;MM329205;OC1CC1CC1(CF)CC1;YCZLMBZCTKLSNN-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329206;MM329206;COC(=O)C1CC1(C)CN;IGXUZHRBXJVOEG-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329207;MM329207;C=CC(CC)CC(=O)NO;JRSPSMXEZLKDKH-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329208;MM329208;COC(=O)C1CC1(C)CO;IFWWNMZTPUMTPB-UHFFFAOYSA-N;144.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329209;MM329209;CCC(C=O)CC(=O)NO;ONNTYXIHLBDJKE-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329210;MM329210;COC(=O)C1CC1(C)CF;YXHTUXGHBRMPOD-UHFFFAOYSA-N;146.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329211;MM329211;C=CC(CN)CC(=O)NC;RIMAGUGACXSJMJ-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329212;MM329212;C=C(OC)C1CC1(N)CC;FCJUPHVVGYWGKA-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329213;MM329213;C=CC(CN)CC(=O)NO;KDMYBAXEDWIGQG-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329214;MM329214;C=C(OC)C1CC1(N)CN;SERPTUYZSPNXDF-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329215;MM329215;C=CC(CO)CC(=O)NC;FXJSOTFSEUQVMS-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329216;MM329216;CCC1(N)CC1C(=O)OC;RCUMWQBGQBBALZ-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329217;MM329217;CNC(=O)CC(C#N)CO;MMCZTDDRQUMHDV-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329218;MM329218;COC(=O)C1CC1(N)CN;ILSDADKKBVJPGM-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329219;MM329219;N#CC(CO)CC(=O)NO;YJEPDMGRCCPCCB-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329220;MM329220;COC(=O)C1CC1(N)CO;HTETXJXNBRSJAT-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329221;MM329221;C=CC(CF)CC(=O)NC;KXPDAKRDMHNZFV-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329222;MM329222;C=C(OC)C1CC1(O)CC;ZFIFSRTXOPODAA-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329223;MM329223;C#CC1=CC=C(CO)C1=C;RMWBCCNYEFCWFW-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329224;MM329224;C=C(OC)C1CC1(O)CN;GPIWFQWMAJQXMS-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329225;MM329225;CNC(=O)CC(C=O)CF;KLLPGFWPJIDAAF-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329226;MM329226;C=C(OC)C1CC1(O)CO;UFXJAUALCCKCGM-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329227;MM329227;N#CC(CF)CC(=O)NO;HASQYAJBVOFDKZ-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329228;MM329228;C=CC(CC)CC(=C)OC;PGZXECJQJWAYDW-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329229;MM329229;CCC1(O)CC1C(=O)OC;DMYBNGVGNMLYGT-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329230;MM329230;C=C(CC(C=O)CC)OC;CHPJUFLWAURGLV-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329231;MM329231;COC(=O)C1CC1(O)CN;HAQXFEMLPJRJAF-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329232;MM329232;C=C(CC(C#N)CC)OC;YQTSTKARXAOSLW-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329233;MM329233;COC(=O)C1CC1(O)CO;NLXXPGZTVSQCIV-UHFFFAOYSA-N;146.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329234;MM329234;C=CC(CN)CC(=C)OC;LWVSCZUQUQAJEI-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329235;MM329235;C=C(OC)C1CC1(F)CC;ZSQZXCUVVPBBCD-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329236;MM329236;C=C(CC(C=O)CF)OC;GDSMDQPGDXJKFV-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329237;MM329237;C=C(OC)C1CC1(F)CN;OEOLDFYVELEUEJ-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329238;MM329238;C=C(CC(C#N)CF)OC;LRFMFVNNVODABC-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329239;MM329239;C=C(OC)C1CC1(F)CO;OGHRYVJBQHJHLE-UHFFFAOYSA-N;146.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329240;MM329240;C=CC(CC)CC(=O)OC;QMJTWZNMGJRONZ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329241;MM329241;COC(=O)C1CC1(F)CN;MAJKCGHOMTXFBT-UHFFFAOYSA-N;147.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329242;MM329242;CCC(C=O)CC(=O)OC;KHJXZEQLODIMJX-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329243;MM329243;C=C(CC)C1CC1(C)NC;RJKXKKVLNYXTJI-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329244;MM329244;COC(=O)CC(C#N)CO;OSMFMONCOBLRRA-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329245;MM329245;C=C(CN)C1CC1(C)NC;MIQWKSJNGCPDEI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329246;MM329246;C=CC(CF)CC(=O)OC;XTTPCEKLVGFNQE-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329247;MM329247;C=C(CO)C1CC1(C)NC;IFHDFSZHXGXEEO-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329248;MM329248;C=C(CC)CC(C=O)NC;CZLCQTVYQPDGKP-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329249;MM329249;C=C(CF)C1CC1(C)NC;HRFLCTXSRONOBR-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329250;MM329250;C#CCC1C(C)C1CCO;SBZJBCQJLJIWSY-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329251;MM329251;CCC(=O)C1CC1(C)NC;SKDLOFXWQBNWHX-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329252;MM329252;C=CC(CC(=O)NC)NC;KAWPZOCPLLTLSR-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329253;MM329253;CNC1(C)CC1C(=O)CO;CJOOSNPHHVQGIQ-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329254;MM329254;C=CC(CC(=O)NN)NC;DXPLSMJHBWHKCH-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329255;MM329255;CNC1(C)CC1C(=O)CF;ADFYCLUUVTZBBM-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329256;MM329256;N=c1nc2cnonc-2[nH]1;BRAFGEHIPMLYCK-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329257;MM329257;CNC(=N)C1CC1(C)NC;JKGIKVKBKANCNZ-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329258;MM329258;CNC(C#N)CC(=O)NO;CBBUEFACONPDRD-UHFFFAOYSA-N;143.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329259;MM329259;CNC1(C)CC1C(=N)NN;AYXZXQLAKJUJNF-UHFFFAOYSA-N;142.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329260;MM329260;C=CC(CC(=C)OC)NC;IEZJYDFJCASBQR-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329261;MM329261;CNC(=O)C1CC1(C)NC;GBSNCZBQGJOXEB-UHFFFAOYSA-N;142.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329262;MM329262;C=CC(CC(=C)CC)OC;IBCFBXDJWBBQJG-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329263;MM329263;CNC1(C)CC1C(=O)NN;NBFNJNKZUBOYBN-UHFFFAOYSA-N;143.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329264;MM329264;C=CC(CC(=C)CO)OC;IECMWEYZVQGOOE-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329265;MM329265;CNC1(C)CC1C(=O)NO;SYDUARZZRCJETI-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329266;MM329266;C=CC(CC(=C)CF)OC;WDKVFKLLBVKTCT-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329267;MM329267;C=C(OC)C1CC1(C)NC;JEVYTSGSOGUQQT-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329268;MM329268;C=C(CC)CC(C#N)OC;MARCNMBDHWDVLQ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329269;MM329269;CNC1(C)CC1C(=O)OC;QCHDMGDJMGMNPN-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329270;MM329270;C=C(CF)CC(C#N)OC;UWERQKODMJKENJ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329271;MM329271;C=C(CC)C1CC1(C)OC;LZATZLLZMGXZQN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329272;MM329272;COC(C=O)CC(=O)CO;RNFCXQXVXAHXPD-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329273;MM329273;C=C(CN)C1CC1(C)OC;NEEOIYSCPNWGMG-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329274;MM329274;COC(C=O)CC(=O)CF;AQLCPWPRYCTPPV-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329275;MM329275;C=C(CO)C1CC1(C)OC;ZURODEMUUXGVME-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329276;MM329276;CNC(=N)CC(C=O)OC;XDXHQUYZZDHOQN-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329277;MM329277;C=C(CF)C1CC1(C)OC;GVQSLLCCEXPDCV-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329278;MM329278;COC(C=O)CC(=N)NO;YNYFBPPVJHYCEU-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329279;MM329279;CCC(=O)C1CC1(C)OC;XPPHUUYIYNSKJQ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329280;MM329280;COC(C#N)CC(=N)NO;GVWQIHAFSVRHMO-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329281;MM329281;COC1(C)CC1C(=O)CO;XKLCUTUSYWOHHK-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329282;MM329282;CC#CC1NC1C(=O)C#N;XACULHDDEPXJOD-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329283;MM329283;COC1(C)CC1C(=O)CF;YCSWVDOVSHCSOM-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329284;MM329284;CNC(=O)CC(C=O)OC;KZUJOIKKXCLEQV-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329285;MM329285;CNC(=N)C1CC1(C)OC;JKTOCPILJDHYQT-UHFFFAOYSA-N;142.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329286;MM329286;CNC(=O)CC(C#N)OC;RIMMPCSHAOKBJJ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329287;MM329287;COC1(C)CC1C(=N)NN;BDBKJVXSUKGGFD-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329288;MM329288;COC(C=O)CC(=O)NO;SUVODVNFUQRIBH-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329289;MM329289;COC(C#N)CC(=O)NO;OHYNCDZHXWCJDS-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329290;MM329290;COC1(C)CC1C(=N)NO;NHFYHWJCMUPYIO-UHFFFAOYSA-N;144.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329291;MM329291;C=C(CC(C#N)OC)OC;QNHCCZABHDLRHA-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329292;MM329292;CNC(=O)C1CC1(C)OC;RICHNXOLLDYBOT-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329293;MM329293;C=CC(CC)NC(=N)CC;NOYCWYLIVVHAGE-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329294;MM329294;C=C(OC)C1CC1(C)OC;ASEKFOQHOLQGRV-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329295;MM329295;CCC(N)=NC(C=O)CC;ASFUOZZYWKWVNZ-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329296;MM329296;COC(=O)C1CC1(C)OC;LPXAEMHNYWXEQI-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329297;MM329297;CCC(C#N)NC(=N)CO;RTEPGMHCHCVDKF-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329298;MM329298;C=C(CN)C1NC1(C)CC;BSNVUQVZXFSMOB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329299;MM329299;CCC(C#N)NC(=N)CF;GHTVDBLVJZBGLL-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329300;MM329300;C=C(CN)C1NC1(C)CN;DXAUZYFNSMIQIN-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329301;MM329301;C=CC(CN)NC(=N)CC;CLQVAABGKWXJAX-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329302;MM329302;C=C(CO)C1NC1(C)CN;PWEMKHOWCJLOIT-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329303;MM329303;C=CC(CN)NC(=N)CN;MEJLXXFPLGVWMC-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329304;MM329304;O=CC=C1CC=C(CO)C1;UWTGTRCFLUIWTE-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329305;MM329305;C=CC(CN)NC(=N)CO;ADJSSJKBVXHDEI-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329306;MM329306;C=C(CN)C1NC1(C)CO;VBXFIMRWKULYPQ-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329307;MM329307;C=CC(CO)NC(=N)CC;CACKHYYAHKRYAO-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329308;MM329308;N#CC=C1CC=C(CO)C1;KFCOATLURLFXJI-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329309;MM329309;C=CC(CO)NC(=N)CN;ZIIQSHJQFZEQQU-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329310;MM329310;C#CC=C1CC=C(CO)C1;GITYIPKYTAEFDH-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329311;MM329311;CCC(=N)NC(C=O)CO;IDIHLMJSMLXTMH-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329312;MM329312;CCC=C1C=C(CO)CC1;OQTPTLPRMMDIIC-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329313;MM329313;CCC(=N)NC(C#N)CO;MZQGVRMJKFSGGM-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329314;MM329314;C=CC=C1C=C(CO)CC1;QKHRTURGDYQWBA-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329315;MM329315;C=CC#CC1CC1CCO;NCHGBIXUTBCKSG-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329316;MM329316;C=NN=CN=CNCC=O;JVFGKPQNPDVMSN-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329317;MM329317;CCC1(C)NC1C(=N)NC;CKAXLJBBNJZOMA-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329318;MM329318;C=CC(CF)NC(=N)CC;LCHNPNXMVRBLHE-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329319;MM329319;CCC1(C)NC1C(=N)NN;ZTNMQIYPIUPCHX-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329320;MM329320;C=CC(CF)NC(=N)CO;BIBMWWFFMBMWBP-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329321;MM329321;CC1(CN)NC1C(=N)NO;WXUXJEOANXVMOD-UHFFFAOYSA-N;144.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329322;MM329322;CC#CCC(C)O;IKROQHVDACEGBA-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329323;MM329323;CNC(=N)C1NC1(C)CO;CFOYVECXSNJZFD-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329324;MM329324;CCC(C)C(N)=O;XUXJHBAJZQREDB-UHFFFAOYSA-N;101.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329325;MM329325;CC1(CO)NC1C(=N)NN;MHQHBKLUIDDBKS-UHFFFAOYSA-N;144.18;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329326;MM329326;O=CC=C1C=C(CO)CC1;ZCVMUWSXHHZOOO-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329327;MM329327;CCC(C=O)NC(=O)CO;RRCGMKKZXDNDOC-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329328;MM329328;N#CC=C1C=C(CO)CC1;AYHCXKKUBRHXLH-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329329;MM329329;CCC(C#N)NC(=O)CF;QETXMEOEWDOAJB-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329330;MM329330;CCC1(C)NC1C(=O)NO;CCWBZSCTEVMTEL-UHFFFAOYSA-N;144.17;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329331;MM329331;C=CC(CN)NC(=O)CO;TYEAGONNXGLTAL-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329332;MM329332;CNC(=O)C1NC1(C)CN;RMDSRLPXFFBKKK-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329333;MM329333;C=CC(CO)NC(=O)CC;SDLZGAMTGHOWAF-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329334;MM329334;CC1(CN)NC1C(=O)NO;RMOCAVLPMVLBBT-UHFFFAOYSA-N;145.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329335;MM329335;C=CC(CO)NC(=O)CF;CEEXETNVIFOIMR-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329336;MM329336;C#CC=C1C=C(CO)CC1;VRPOLCYKUZXVGN-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329337;MM329337;CCC(=O)NC(C=O)CO;KJLPMWOMHWFNNB-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329338;MM329338;C#CC1=NCC(NC=C)=N1;GPLYLYAPEUYVJS-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329339;MM329339;O=CC(CO)NC(=O)CO;KUKZBSOCKHPNGG-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329340;MM329340;C#CC#CC1CC1CCO;KJHRVPCLRSZRQB-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329341;MM329341;N#CC(CO)NC(=O)CO;JKQVKBSIQRBXOE-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329342;MM329342;CCC1(C)NC1C(=O)OC;DAQLZAMKDWNERE-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329343;MM329343;N#CC(CO)NC(=O)CF;BBGRADDZJMPGQA-UHFFFAOYSA-N;146.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329344;MM329344;CC=C(CO)CCC1CC1;GXURLIOVWIHTBS-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329345;MM329345;C=CC(CF)NC(=O)CC;OTCNIYHRFWMABT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329346;MM329346;COC(=O)C1NC1(C)CF;VZVFGJBWIDRSED-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329347;MM329347;C=CC(CF)NC(=O)CO;OSBBTVNSDUOJSR-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329348;MM329348;C=C(CC)C1OC1(C)CC;OWZGSCWFGOARSC-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329349;MM329349;C=CC(CF)NC(=O)CF;KKVCWQRACKVUFF-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329350;MM329350;C=C(CN)C1OC1(C)CC;FDNZXDURYXVNSS-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329351;MM329351;C=CC(CC)NC(=N)NC;SZVSAQIIBCPWPS-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329352;MM329352;C=C(CO)C1OC1(C)CC;DVJLLADBRRMAKI-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329353;MM329353;C=C(CC)C1OC1(C)CN;PKXCXYQMIUOVGL-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329354;MM329354;C=CC(CC)NC(=N)NN;QQIIURADJPKAGF-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329355;MM329355;CCC(C=O)NC(=N)NC;QOMGJFFOSKBCQZ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329356;MM329356;C=C(CN)C1OC1(C)CN;CBZKWGYUZJDLLZ-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329357;MM329357;CCC(C=O)NC(=N)NO;VAVBKTSKBHFDHF-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329358;MM329358;C=C(CO)C1OC1(C)CN;CAZSGRZREZBXRG-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329359;MM329359;C=CC(CN)NC(=N)NC;PANZAGNOZTVOFV-UHFFFAOYSA-N;142.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329360;MM329360;C=C(CF)C1OC1(C)CN;XQERIKHCBHCTMR-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329361;MM329361;C=CC(CN)NC(=N)NO;ZLRYEOKSEKBEMO-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329362;MM329362;C=C(CN)C1OC1(C)CO;BZPPMGBSWNGAHN-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329363;MM329363;C=CC(CO)NC(=N)NC;FHVZGBUGEQLLJD-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329364;MM329364;C=C(CO)C1OC1(C)CO;YSOUISNPNHEKMC-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329365;MM329365;CNC(=N)NC(C=O)CO;FXZYAOCTGFULDM-UHFFFAOYSA-N;145.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329366;MM329366;C=C(CN)C1OC1(C)CF;UUFBRCGUQCKQPM-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329367;MM329367;C=CC(CF)NC(=N)NN;JSKWASPCAAOHMD-UHFFFAOYSA-N;146.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329368;MM329368;C=C(CO)C1OC1(C)CF;WFHGVMWKAGXCPQ-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329369;MM329369;C=CC(CF)NC(=N)NO;OYNNNZIKOUWSSE-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329370;MM329370;C=C(CF)C1OC1(C)CF;XITQOCHCCZXGSU-UHFFFAOYSA-N;148.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329371;MM329371;CNC(=N)NC(C#N)CF;CYUPRJCOPSDEMY-UHFFFAOYSA-N;144.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329372;MM329372;CCC(=O)C1OC1(C)CC;RKXGFJQWIDLLRV-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329373;MM329373;C=CC(CC)NC(=O)NC;XYAKIVWUSFWKJC-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329374;MM329374;CCC1(C)OC1C(=O)CO;DGHPIEDYVNLVOZ-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329375;MM329375;CCC(C=O)NC(=O)NC;QPSSUQZBJLHVON-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329376;MM329376;CCC1(C)OC1C(=O)CF;KSECTGUOXIJKQD-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329377;MM329377;CCC(C#N)NC(=O)NO;NMSWIXRGBWHIJV-UHFFFAOYSA-N;143.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329378;MM329378;CC1(CO)OC1C(=O)CO;ZYYZANNGJQBOEF-UHFFFAOYSA-N;146.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329379;MM329379;C=CC(CN)NC(=O)NC;QQVKQZVXEWEKCO-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329380;MM329380;CC1(CO)OC1C(=O)CF;NGCJYAZKUULXIS-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329381;MM329381;CCC1NCC1=O;WGWLUJYWPBEQOV-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329382;MM329382;CC1(CF)OC1C(=O)CO;DOYWCYSUTYINAA-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329383;MM329383;C=CC(CO)NC(=O)NO;XXFFMFJLOKKZDY-UHFFFAOYSA-N;146.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329384;MM329384;CC1(CF)OC1C(=O)CF;FMYJPBCFLORJHO-UHFFFAOYSA-N;150.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329385;MM329385;CNC(=O)NC(C=O)CO;CWTLJWDCIZNKRP-UHFFFAOYSA-N;146.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329386;MM329386;CCC1(C)OC1C(=N)NC;FTIBJJOEQWFWBH-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329387;MM329387;O=CC(CO)NC(=O)NO;VBOMPKNVRUFJIG-UHFFFAOYSA-N;148.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329388;MM329388;CCC1(C)OC1C(=N)NN;MFKKNTDTXOSOLP-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329389;MM329389;N#CC(CO)NC(=O)NO;ASZGQJPXCSYVDU-UHFFFAOYSA-N;145.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329390;MM329390;CNC(=N)C1OC1(C)CN;IRSULHQFHNMPON-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329391;MM329391;CCC(C)(C)C(N)=O;JDEUUKYNTHHAQH-UHFFFAOYSA-N;115.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329392;MM329392;CC1(CN)OC1C(=N)NO;FJGVKUIJVXWWJG-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329393;MM329393;N#CC(CF)NC(=O)NO;FQSPLDFGWUVWTP-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329394;MM329394;CNC(=N)C1OC1(C)CO;VFYBQQVUJIPZOF-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329395;MM329395;CN(C)N=CC(F)F;FODSJQBVWFMELL-UHFFFAOYSA-N;122.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329396;MM329396;CNC(=N)C1OC1(C)CF;YBTQAWDMSBTGNH-UHFFFAOYSA-N;146.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329397;MM329397;CCC(C)=CC(N)=O;VGTLBBFCIHKUDN-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329398;MM329398;CC1(CF)OC1C(=N)NN;ICEDQQZYQIDJIM-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329399;MM329399;CCC(C#N)NC(=O)OC;HQPNGNSHTNZWHH-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329400;MM329400;CCC1(C)OC1C(=O)NC;FOVFQNOYEFREMM-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329401;MM329401;COC(=O)NC(C#N)CO;CBJUCNKODKKTLU-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329402;MM329402;CC=C(CO)CCC1CO1;XAADBVDCNYFPBA-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329403;MM329403;C=CC(CC)OC(=C)CC;LDAABRXJBSOUIA-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329404;MM329404;CCC1(C)OC1C(=O)NO;LMNGSHHYVVRYQU-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329405;MM329405;C=CC(CC)OC(=C)CN;QGSFZZYXMVNUJF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329406;MM329406;CNC(=O)C1OC1(C)CN;VBNLEVPXRPXQSZ-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329407;MM329407;C=CC(CC)OC(=C)CO;BUNVDWQOBFTHBO-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329408;MM329408;CC1(CN)OC1C(=O)NO;UJEMKIUMLMOAMB-UHFFFAOYSA-N;146.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329409;MM329409;C=CC(CC)OC(=C)CF;PONVGIFDQMIWCE-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329410;MM329410;CCC(=CCC1CC1)CO;JXXOTCSWHOXFRA-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329411;MM329411;C=C(CC)OC(C=O)CC;POHRCBXMURYCJS-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329412;MM329412;CNC(=O)C1OC1(C)CF;LQPDINKOLUNJKT-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329413;MM329413;C=C(CC)OC(C#N)CC;QWIRRNGDMTWTKL-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329414;MM329414;C=CCCCCO;UIZVMOZAXAMASY-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329415;MM329415;C=C(CO)OC(C#N)CC;YSFWHKYJXRMDRQ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329416;MM329416;CC1(CF)OC1C(=O)NO;XVDDRHLYVKZCTG-UHFFFAOYSA-N;149.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329417;MM329417;C=CC(CN)OC(=C)CC;GWQGRGBGEBYFRN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329418;MM329418;C=C(OC)C1OC1(C)CC;NYDNGISCZZDDDT-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329419;MM329419;C=CC(CN)OC(=C)CO;ZCJBFNQQNOYORK-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329420;MM329420;C=C(OC)C1OC1(C)CN;VOQGRDGPKOZJEO-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329421;MM329421;C=CC(CO)OC(=C)CC;BPFLZKJWVDAZCQ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329422;MM329422;C=C(OC)C1OC1(C)CO;DHEPAIJZHASPEW-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329423;MM329423;C=CC(CO)OC(=C)CN;PRKRLOYVZYFITK-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329424;MM329424;C=C(OC)C1OC1(C)CF;SSFIMBJGGYPFSF-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329425;MM329425;C=C(CC)OC(C#N)CO;GVSLFMYRQHXEEE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329426;MM329426;CCC1(C)OC1C(=O)OC;HTSLJNQJVVFIQA-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329427;MM329427;C=C(CO)OC(C=O)CO;IYERKBXHBJPNPX-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329428;MM329428;CCC(=N)N1CC1(C)CC;TVUFFAFAUMIZRB-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329429;MM329429;C=C(CO)OC(C#N)CO;RWJPDWLZAPIHOF-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329430;MM329430;CCC1(C)CN1C(=N)CN;ZPGHRYBTNJIWLX-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329431;MM329431;C=C(CF)OC(C=O)CO;MHRQVYHLQGSTOM-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329432;MM329432;CCC1(C)CN1C(=N)CO;VFLPOUWDBMPQLY-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329433;MM329433;C=CC(CF)OC(=C)CO;SEDRQAFQSCMUAC-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329434;MM329434;CCC(=N)N1CC1(C)CN;YZNRGBIBCMHVOZ-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329435;MM329435;C=C(CO)OC(C=O)CF;KMWOYVKBPVUGES-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329436;MM329436;CC1(CN)CN1C(=N)CN;FTSGDWFFVJIUPM-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329437;MM329437;C=C(CF)OC(C#N)CF;JZGCDWPHKNFOOA-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329438;MM329438;CC1(CN)CN1C(=N)CO;HKBYMSPWVBWVJB-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329439;MM329439;C=CC(CC)OC(=O)CC;BTADDUKACQYMJW-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329440;MM329440;CCC(=N)N1CC1(C)CO;ZTCVDNIVOZQOOJ-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329441;MM329441;C=CC(CC)OC(=O)CF;NWHYOWXTBOWHSI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329442;MM329442;CC1(CO)CN1C(=N)CN;AAJZFUJSSWQUCP-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329443;MM329443;CCC(C=O)OC(=O)CF;XQWHIMOXOOZZGX-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329444;MM329444;CCC(=N)N1CC1(C)CF;OWDFZKMEKGWLFN-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329445;MM329445;CCC(C#N)OC(=O)CF;PTCYCIGJIODRIX-UHFFFAOYSA-N;145.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329446;MM329446;CC1(CF)CN1C(=N)CN;NFFSRRXHVIIRSL-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329447;MM329447;C=CC(CN)OC(=O)CN;JENNPNUGMHKAKK-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329448;MM329448;CCC(=O)N1CC1(C)CC;YICWCUBQAILUTR-UHFFFAOYSA-N;141.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329449;MM329449;C=CC(CN)OC(=O)CF;BDHUJPYSRWQCOH-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329450;MM329450;CCC1(C)CN1C(=O)CO;WUAYUYVBFKREBV-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329451;MM329451;C=CC(CO)OC(=O)CC;VVLUFVFEALLGQY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329452;MM329452;CCC1(C)CN1C(=O)CF;KQFKVBAKFZAZME-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329453;MM329453;CCC(=O)OC(C#N)CO;QWUYXXJAPSSCRW-UHFFFAOYSA-N;143.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329454;MM329454;CCC(=O)N1CC1(C)CN;XFTDAGAHTOEDNC-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329455;MM329455;N#CC(CO)OC(=O)CO;HSXLDOCPZHLSRE-UHFFFAOYSA-N;145.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329456;MM329456;CC1(CN)CN1C(=O)CN;NMQXEZPGZPMGDA-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329457;MM329457;O=CC(CO)OC(=O)CF;KQYCPOHGOKPHEP-UHFFFAOYSA-N;150.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329458;MM329458;CC1(CN)CN1C(=O)CO;UOBBIZWXJXBGGR-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329459;MM329459;C=CC(CF)OC(=O)CC;UQVDGZKSQCHDHO-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329460;MM329460;CC1(CN)CN1C(=O)CF;LLWGSKFMRURUTF-UHFFFAOYSA-N;146.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329461;MM329461;C=CC(CF)OC(=O)CO;HSVFYPLVLLSKNA-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329462;MM329462;CCC(=O)N1CC1(C)CO;PUHHYZSWKSORBK-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329463;MM329463;C=CC(CF)OC(=O)CF;UCYKYZGZBTWSFE-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329464;MM329464;CC1(CO)CN1C(=O)CO;LKGRUTXPEKCXGN-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329465;MM329465;O=CC(CF)OC(=O)CO;RGFCHYFFBIZMSK-UHFFFAOYSA-N;150.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329466;MM329466;CC1(CO)CN1C(=O)CF;ZMGSEVZAOLMGTD-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329467;MM329467;O=CC(CF)OC(=O)CF;YSMIHOQPFYGRIN-UHFFFAOYSA-N;152.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329468;MM329468;CCC1(C)CN1C(=N)NC;XYBVKDYVOYXQAB-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329469;MM329469;C=CC(CC)OC(=N)NC;CEQTWGJLNWDGFU-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329470;MM329470;CCC1(C)CN1C(=N)NN;QNQIBTKLOSHYLO-UHFFFAOYSA-N;142.21;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329471;MM329471;C=CC(CN)OC(=N)NC;IWVGKGSCQAHFOH-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329472;MM329472;CCC1(C)CN1C(=N)NO;VMWJXYKLYHHLOT-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329473;MM329473;C=CC(CN)OC(=N)NO;QQJBXHNOROAOFZ-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329474;MM329474;CNC(=N)N1CC1(C)CN;UIJUCCJNSDHHJP-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329475;MM329475;CNC(=N)OC(C#N)CF;UMAZLEPSCAGVFF-UHFFFAOYSA-N;145.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329476;MM329476;CC1(CO)CN1C(=N)NN;TUBYSZZPYOZPGH-UHFFFAOYSA-N;144.18;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329477;MM329477;C=CC(CC)OC(=O)NC;DIHIHWLEYYWKLL-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329478;MM329478;CNC(=N)N1CC1(C)CF;DFWPZTUNRCOTHT-UHFFFAOYSA-N;145.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329479;MM329479;C=CC(CO)OC(=O)NC;CKAVACUFBAPDKK-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329480;MM329480;CC1(CF)CN1C(=N)NN;CUKLAAQGTBSXFH-UHFFFAOYSA-N;146.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329481;MM329481;C=CC(CO)OC(=O)NO;YKQFXQKBEXLGNX-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329482;MM329482;CCC1(C)CN1C(=O)NC;WMVYDQWIVIYLNF-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329483;MM329483;N#CC(CO)OC(=O)NO;SDIZHRANPJHQDF-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329484;MM329484;C#CC(C)=CC(C)O;KWBZOHFUMTYBNC-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329485;MM329485;C=CC(CF)OC(=O)NC;IJUXAWUFPOOPFA-UHFFFAOYSA-N;147.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329486;MM329486;CCC1(C)CN1C(=O)NO;XVNNWEQMORRNNM-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329487;MM329487;CCNc1ccon1;YJPOJVOMWRNRQR-UHFFFAOYSA-N;112.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329488;MM329488;CC1(CN)CN1C(=O)NO;PPSPPCBZTYXLBI-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329489;MM329489;CCC(C=O)OC(=O)OC;IZKBQRPFJPZJST-UHFFFAOYSA-N;146.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329490;MM329490;CCC1(C)CN1C(=O)OC;COIRWWAGWPNITJ-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329491;MM329491;C=CC(CN)OC(=O)OC;GQOLVNVMGPVRFB-UHFFFAOYSA-N;145.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329492;MM329492;C=CC(=C)C1CC1(C)CC;SJNHJJBLEHQCFL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329493;MM329493;C=CC(OC)OC(=C)CC;PCWVSUZOLKCTBT-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329494;MM329494;C=C(C=O)C1CC1(C)CC;YGKJQTTWZXQLTG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329495;MM329495;C=CC(OC)OC(=C)CN;BFRSKELMXXMCBK-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329496;MM329496;C=C(C#N)C1CC1(C)CC;KDOXKZFECJHKIC-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329497;MM329497;C=CC(OC)OC(=C)CF;MJDCUCARMOXFLL-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329498;MM329498;C=CC(=C)C1CC1(C)CN;MKZSZNIVJSXHIR-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329499;MM329499;C=C(CC)OC(C=O)OC;DYIKMOBCZIZEIT-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329500;MM329500;C=CC(=C)C1CC1(C)CF;FBKYEEGGWURGEG-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329501;MM329501;C=C(CC)OC(C#N)OC;FJIRKBJRKRYOSB-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329502;MM329502;C=CC(=O)C1CC1(C)CC;DFCBJZPKMOOMIN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329503;MM329503;C=CC(OC)OC(=O)CC;JKXZGAKLUIUWRY-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329504;MM329504;CCC1(C)CC1C(=O)C=O;LZAZZDLNPNAART-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329505;MM329505;COC(C=O)OC(=O)CO;FWXXEBLIJBHUPS-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329506;MM329506;CCC1(C)CC1C(=O)C#N;YOBHKVCPXGEWQI-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329507;MM329507;COC(C#N)OC(=O)CO;GNKDVWBOFAPVOD-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329508;MM329508;C=CC(=O)C1CC1(C)CO;NBMTVJAPHYUVHJ-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329509;MM329509;COC(C#N)OC(=O)CF;FIVSWJMGVJQYRR-UHFFFAOYSA-N;147.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329510;MM329510;CC1(CO)CC1C(=O)C=O;ZWUKABONGZOKFU-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329511;MM329511;CNC(=N)OC(C=O)OC;ATYQJBMDSIRBKD-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329512;MM329512;CC1(CF)CC1C(=O)C=O;VQOPLAILKMIOKE-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329513;MM329513;C=C(C)CC(=CC)CO;MCBQJPINWPKFMW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329514;MM329514;C=CC(=C)C1CC1(N)CC;YHEZZTNRQBZXPG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329515;MM329515;C=CC(OC)OC(=O)OC;XJTAELPEVTWNJI-UHFFFAOYSA-N;146.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329516;MM329516;C=CC(=C)C1CC1(N)CN;KALZQFVWAARFOA-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329517;MM329517;COC(=O)OC(C#N)OC;SNBATABTDVWPOF-UHFFFAOYSA-N;145.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329518;MM329518;C=CC(=C)C1CC1(N)CO;FBUSPUDOTRAHGJ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329519;MM329519;C=C(CO)CN(C=N)CC;IMAKFIKXDFKMQJ-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329520;MM329520;C=C(C)CCCCO;JYMUQYLETHLSAN-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329521;MM329521;C=C(CF)CN(C=N)CC;RVHSSQSQLQGLBM-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329522;MM329522;C=C(C=O)C1CC1(O)CC;QBHVPDWHPYQKEW-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329523;MM329523;C=C(CC)CN(C=O)CC;ZVBBNBNCPRFMJM-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329524;MM329524;C=C(C#N)C1CC1(O)CC;IHGAFMZWSCJOTB-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329525;MM329525;C=C(CN)CN(C=O)CC;QOXQOAHAFLIHQS-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329526;MM329526;C=CC(=C)C1CC1(O)CN;TYPYDMHCXOZFOW-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329527;MM329527;CCN(C=N)CC(=O)CF;MJVCZZGECPUJAY-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329528;MM329528;C=CC(=C)C1CC1(O)CO;OYZWRBFPKGXNJS-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329529;MM329529;CCN(C=O)CC(=O)CO;QUYUSHHUBRQMFO-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329530;MM329530;C=C(C=O)C1CC1(O)CO;UFEOKKFERXBCGI-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329531;MM329531;CCN(C=N)CC(=N)NC;DWSHCCMIQLIJLJ-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329532;MM329532;C=C(C#N)C1CC1(O)CO;NSEDRGZAVRLNLN-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329533;MM329533;CCN(C=N)CC(=N)NN;YOFMESGIUQEEGD-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329534;MM329534;C=C(C=O)C1CC1(O)CF;STWYZNFXBIMYKA-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329535;MM329535;CCN(C=N)CC(=N)NO;BHHRSXOGPQALCQ-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329536;MM329536;C=CC(=O)C1CC1(O)CC;IIBDAZMGBUGXIC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329537;MM329537;CCN(C=N)CC(=O)NN;AIBPSQNMPULEPN-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329538;MM329538;CCC1(O)CC1C(=O)C=O;HZCMEDZQSRSIFT-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329539;MM329539;C=C(CN(C=N)CC)OC;CFOBQDPOJWCAMF-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329540;MM329540;CCC1(O)CC1C(=O)C#N;SUAKZQGIUJDYKB-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329541;MM329541;CCN(C=N)CC(=O)OC;OAFKDRBPHRJEHC-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329542;MM329542;C=CC(=O)C1CC1(O)CO;FRRCKAHLMBBYSC-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329543;MM329543;C=NN(CC)CC(=C)CC;RUZVWKBEZRQMRD-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329544;MM329544;O=CC(=O)C1CC1(O)CO;OHOORWRLZDOXDJ-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329545;MM329545;C=NN(CC)CC(=C)CN;VFGRLGQOAXZXPT-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329546;MM329546;N#CC(=O)C1CC1(O)CO;UOPHCYBDCWXSJA-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329547;MM329547;C=C(C)C=C(CC)CO;QYIOKMHVJKVZJM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329548;MM329548;C=CC(=O)C1CC1(O)CF;JBSQOXATOIGZKL-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329549;MM329549;C=C(CN)CN(C=N)NC;ILZGJVSIQKDLQI-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329550;MM329550;C=CC(=C)C1CC1(F)CC;IEDYDUPICMYJBY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329551;MM329551;C=C(CO)CN(C=N)NC;JAWRLQTXYJSBOJ-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329552;MM329552;C=C(C#N)C1CC1(F)CC;XGOUPEBLSQMGOR-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329553;MM329553;C=CC(=C)C1CC1(F)CN;HPEKFPYEPHNMFU-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329554;MM329554;C=C(CC)CN(C=O)NC;SEORMCSVIFFGCE-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329555;MM329555;C=CC(=C)C1CC1(F)CO;LGCHNBUMONHUAA-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329556;MM329556;C=C(CN)CN(C=O)NC;JMKFEMHUSXSITG-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329557;MM329557;C=C(C=O)C1CC1(F)CO;FJLGZBQQQCVDLE-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329558;MM329558;C=NNC(=N)OCC=O;ILTBVGXRQPJUTH-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329559;MM329559;C=C(C#N)C1CC1(F)CO;PEFVISYZIOQLRI-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329560;MM329560;CCC(=O)CN(C=N)NC;KARYFOHCPKELGA-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329561;MM329561;C=C(C#N)C1CC1(F)CF;XTTKUGARFSZJQM-UHFFFAOYSA-N;143.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329562;MM329562;CCC#CC(C)CCO;JXEAOGBRWRHHBG-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329563;MM329563;C=CC(=O)C1CC1(F)CC;QTSUQETVOSOUAR-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329564;MM329564;C=C(C)C(C)C(=C)CO;MRXNLFQENFIKMY-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329565;MM329565;CCC1(F)CC1C(=O)C=O;OMHIREOWRULXNR-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329566;MM329566;CNN(C=N)CC(=N)NN;CLPFYVLEQXVBAK-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329567;MM329567;CCC1(F)CC1C(=O)C#N;QENIGHDKBBDECL-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329568;MM329568;CNN(C=O)CC(=N)NN;YWFBOJOPRXFWDL-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329569;MM329569;C=CC(=O)C1CC1(F)CO;CGFPLEJHCLPSKG-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329570;MM329570;C=C(CN(C=N)NC)OC;AMBPYGNPBDZURX-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329571;MM329571;N#CC(=O)C1CC1(F)CO;WMSPETBVNDEQGA-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329572;MM329572;C=C(CN(C=O)NC)OC;JVMGMYMHRYNTHX-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329573;MM329573;C=CC(=O)C1CC1(F)CF;IQXDYTOFZIYUDW-UHFFFAOYSA-N;146.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329574;MM329574;CNN(C=O)CC(=O)OC;FCTKZUYJUMKDQJ-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329575;MM329575;O=CC(=O)C1CC1(F)CF;LTCZRCXWUMFOQQ-UHFFFAOYSA-N;148.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329576;MM329576;C=C(CN)CN(C=N)OC;DEBJUJKMFIUVMY-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329577;MM329577;N#CC(=O)C1CC1(F)CF;FIKUIAATCPPQCO-UHFFFAOYSA-N;145.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329578;MM329578;C=C(CN)CN(C=O)OC;IUGIAVLHBBYNCV-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329579;MM329579;C=CC(=C)C1CC1(C)NC;UYUCVXSDTCVVKL-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329580;MM329580;CCC(=O)CN(C=O)OC;ROHZALQRQKHBNX-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329581;MM329581;C=C(C=O)C1CC1(C)NC;RYDGBHIOEAJXBJ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329582;MM329582;CON(C=O)CC(=O)CO;YIOOZPLGGHKAFF-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329583;MM329583;C=C(C#N)C1CC1(C)NC;QMZZVJFZCWORCR-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329584;MM329584;CON(C=O)CC(=N)NN;HITUIKQKYFGYNK-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329585;MM329585;C=CC(=O)C1CC1(C)NC;NQKSZOKLRSLAKA-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329586;MM329586;CNC(=O)CN(C=O)OC;PIRMIYLNLUKRBQ-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329587;MM329587;CNC1(C)CC1C(=O)C=O;DVXOIMSDLKNPBG-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329588;MM329588;C=CCCC(C)C(N)=O;ZZCULGHYFXXJAF-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329589;MM329589;CNC1(C)CC1C(=O)C#N;RSQHSHKVJYFCHI-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329590;MM329590;CON(C=O)CC(=O)NO;RFTHAMAYYHPFGC-UHFFFAOYSA-N;148.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329591;MM329591;C=CC(=C)C1CC1(C)OC;RLJMJNUOCUIEKO-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329592;MM329592;C=C(CN(C=O)OC)OC;QAVQMBSAHYSBGH-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329593;MM329593;C=C(C=O)C1CC1(C)OC;FBIFNAIWIAFGPB-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329594;MM329594;COC(=O)CN(C=O)OC;HGZHNYARWMTSSB-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329595;MM329595;C=C(C#N)C1CC1(C)OC;MSFIZZAIQOAXRQ-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329596;MM329596;CCC(=N)NN(C=N)CC;AIGZWWXYEFPTGQ-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329597;MM329597;C=CC(=O)C1CC1(C)OC;DOFNAHUWWGROII-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329598;MM329598;CCN(C=N)NC(=N)CO;VAPKRNCYZBPIFH-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329599;MM329599;COC1(C)CC1C(=O)C=O;QBDGPLZJVKVMAG-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329600;MM329600;CCN(C=N)NC(=N)CF;LDDMFMZUMGNLOX-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329601;MM329601;COC1(C)CC1C(=O)C#N;KKUBRUMUUSKQSS-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329602;MM329602;CCC(=N)NN(C=O)CC;FLEDRPCAMKRYHS-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329603;MM329603;C=C(C#N)C1NC1(C)CC;NQVGSBHVWLVMFE-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329604;MM329604;CCN(C=O)NC(=N)CO;NMMNLHAFEGGHGN-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329605;MM329605;C=CC(=C)C1NC1(C)CN;QQIBERRPWXYOFP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329606;MM329606;CCC(=O)NN(C=N)CC;RFLWQAZNEJYZQZ-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329607;MM329607;CC(=O)CCCCO;UALYCKSVHDYQRP-UHFFFAOYSA-N;116.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329608;MM329608;CCN(C=N)NC(=O)CN;HRMZEYXIAAAJGQ-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329609;MM329609;C=C(F)CCCCO;XPPRRNOGXRXGKQ-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329610;MM329610;CCC(=O)NN(C=O)CC;VIFQWOWNLJAZAF-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329611;MM329611;C=C(CCC)C(N)=O;YICILWNDMQTUIY-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329612;MM329612;CCN(C=O)NC(=O)CO;DARWHRNIORCFJH-UHFFFAOYSA-N;146.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329613;MM329613;CCC=C(C)C(N)=O;PGTISPYIJZXZSE-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329614;MM329614;CCN(C=O)NC(=N)NN;FQCUMALEJGOBCZ-UHFFFAOYSA-N;145.17;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329615;MM329615;CC=CCCCCO;ZUHYIBBOAOBYDJ-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329616;MM329616;CCN(C=O)NC(=O)NN;ATGVLBFTDNMYKA-UHFFFAOYSA-N;146.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329617;MM329617;OCCCCC=CF;FASBTUUZQGGWHC-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329618;MM329618;CCN(C=N)NC(=N)OC;WIZNBICXFSLNIZ-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329619;MM329619;C=CCC(C)(C)C(N)=O;RXUSSMGQGUFCNU-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329620;MM329620;CCN(C=N)NC(=O)OC;MBTVCLBVGUKOBM-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329621;MM329621;C=C(C)C(C)=CC(N)=O;LAYALHFILLDUSM-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329622;MM329622;CCN(C=O)NC(=O)OC;NJYYBFMKQZYGFY-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329623;MM329623;CC=CC(C)=CC(N)=O;FKVRTSXDGKCFKG-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329624;MM329624;CCN(C=O)OC(=O)CO;XPVLMVAYSBEIMZ-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329625;MM329625;C=CC(=C)C1OC1(C)CC;RJYMYZHIKYONQI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329626;MM329626;CCN(C=O)OC(=O)CF;WAGWFUYHGOPPAX-UHFFFAOYSA-N;149.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329627;MM329627;C=C(C=O)C1OC1(C)CC;YRVOHNAOXJHVCT-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329628;MM329628;CCN(C=O)OC(=O)NN;MIBOQHXMHAZKJV-UHFFFAOYSA-N;147.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329629;MM329629;C=C(C#N)C1OC1(C)CC;WLGRUWSUVHWYMP-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329630;MM329630;C=CC(=C)CC(C=C)CC;WCHZKCOLMMPYOZ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329631;MM329631;C=CC(=C)C1OC1(C)CN;YJOQYGIWJRTORV-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329632;MM329632;C=CC(CC)CC(=C)C#N;OMDDTDXOSJKYDK-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329633;MM329633;C=CC(=C)C1OC1(C)CO;QXQZTBBUKZZPJQ-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329634;MM329634;C=CC(=C)CC(C#N)CC;YDTWEARAXVPLKU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329635;MM329635;C=C(C#N)C1OC1(C)CO;PJRMDTOEXZRPPT-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329636;MM329636;C=C(C=O)CC(C=O)CC;IFLFQCRODBVKOV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329637;MM329637;C=CC(=C)C1OC1(C)CF;HUWYJCOJCWGLIC-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329638;MM329638;C=C(C#N)CC(C=O)CC;ONHIJUKTODAUQU-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329639;MM329639;C=C(C=O)C1OC1(C)CF;ASWARKUTPWGLBI-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329640;MM329640;C=C(C#N)CC(C#N)CC;LOGFEPPINMETJH-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329641;MM329641;C=C(C#N)C1OC1(C)CF;LVLCGRWECFQZDJ-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329642;MM329642;C=CC(=C)CC(C=C)CN;PQNOSGHJUFKFMN-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329643;MM329643;C=CC(=O)C1OC1(C)CC;OFFVNSJRBWNCSZ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329644;MM329644;CCON=CC(F)C#N;AESLQFMZZOABLM-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329645;MM329645;CCC1(C)OC1C(=O)C=O;FXZKALCBRMWFNA-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329646;MM329646;C=CCC(C)C(=C)CO;OYCURSGEDGPMJO-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329647;MM329647;CCC1(C)OC1C(=O)C#N;KIWYMLSXCSEARO-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329648;MM329648;C=CC(=C)CC(C#N)CO;QBBAZRZEMZKMOF-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329649;MM329649;C=CC(=O)C1OC1(C)CO;SEUNUHUXNUKAFG-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329650;MM329650;C=C(C=O)CC(C=O)CO;ZTSONIVAPZUASO-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329651;MM329651;C=CC(=O)C1OC1(C)CF;FTDLRSNYPMRJRS-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329652;MM329652;C=C(C=O)CC(C#N)CO;WVGHWJMRWVVHGX-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329653;MM329653;C=CC(CF)CC(=C)C=O;PZHYFROPQZUCNS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329654;MM329654;CC1(CF)OC1C(=O)C=O;JTKYRUUKYDBVOP-UHFFFAOYSA-N;146.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329656;MM329656;C=CC(CF)CC(=C)C#N;COWWMNHORHEMDE-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329655;MM329655;CC1(CF)OC1C(=O)C#N;SMEJJCXSLYSALQ-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329657;MM329657;C=CC(=N)N1CC1(C)CC;LCKVXFSLGSPWOT-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329658;MM329658;C=CC(=C)CC(C=O)CF;JLIHOYQAPVSTIT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329659;MM329659;CCC1(C)CN1C(=N)C=O;LMYPNHQRJINVKU-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329660;MM329660;C=CC(=C)CC(C#N)CF;VWDNAXQQUQKTTE-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329661;MM329661;CCC1(C)CN1C(=N)C#N;XVDCMROWVVVJES-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329662;MM329662;C=C(C=O)CC(C#N)CF;KABCOIRWJOYDNX-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329663;MM329663;C=CC(=N)N1CC1(C)CO;TURCNCRKMUNMAO-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329664;MM329664;C=CC(=O)CC(C=C)CC;NOMLTQXSPIQHIU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329665;MM329665;C=CC(=CC(N)=O)CC;NRFTYKMEVSUHIA-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329666;MM329666;C=CC(CC)CC(=O)C=O;NWIBTLDQJBFXSO-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329667;MM329667;CC1(CF)CN1C(=N)C#N;CXANJJPUJQGSNC-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329668;MM329668;C=CC(CC)CC(=O)C#N;FENZIGWKGFLCAW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329669;MM329669;C=CC(=O)N1CC1(C)CC;XMGVDTIBTVSQNY-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329670;MM329670;C=CC(=O)CC(C=O)CC;DXFFPQBVCKFPAX-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329671;MM329671;CCC1(C)CN1C(=O)C=O;YIYYJMGPDSYADZ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329672;MM329672;C=CC(=O)CC(C#N)CC;KRGZPCDBDATOFS-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329673;MM329673;CCC1(C)CN1C(=O)C#N;UYYZNQDDNJGKOU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329674;MM329674;C=CC(=O)CC(C=C)CO;RZOKXVAFRXKTMY-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329675;MM329675;C=CC(=O)N1CC1(C)CN;XAQBMELYPOBKSP-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329676;MM329676;C=CC(=O)CC(C=O)CO;KHSVXQLYRTYKLO-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329677;MM329677;C=CC(=O)N1CC1(C)CO;WPZXQPMKMLNAHC-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329678;MM329678;O=CC(=O)CC(C=O)CO;CDJVYLBQZQROHJ-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329679;MM329679;C#CC(=C)C1CC1(C)CC;CZYHTVZJSXKTFW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329680;MM329680;N#CC(=O)CC(C#N)CO;LGWOOGZGYKTULV-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329681;MM329681;C#CC(=C)C1CC1(C)CN;OVXVCDVQKNMVHU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329682;MM329682;C#CC(=C)C1CC1(C)CF;FXCSZBAVSNLEKR-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329683;MM329683;C=CC(=O)CC(C=C)CF;DIFRNPPWZHLZJI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329684;MM329684;C#CC(=O)C1CC1(C)CC;AWQGQHALUHYZPN-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329685;MM329685;C=CC(CF)CC(=O)C#N;BLLDADNOVSRJEN-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329686;MM329686;N#CC(CF)CC(=O)C=O;VJORDGYWMZLQPN-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329687;MM329687;C#CC(=O)C1CC1(C)CF;DOPKZIJVOAGZRR-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329688;MM329688;C#CC(=C)C1CC1(N)CC;GQIICVYAJVKIOA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329689;MM329689;C=C(C=O)CC(C#N)NC;PLILEOSNDANBPI-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329690;MM329690;C#CC(=C)C1CC1(N)CN;ZWFLJVYLXGZSRY-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329691;MM329691;CC(CO)=C(C)CC=O;DNKJRCGCGUIJEL-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329692;MM329692;C#CC(=C)C1CC1(N)CO;BTMHCBKEAMWJRZ-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329693;MM329693;Nc1cc(C=O)[nH]c1N;WYHHRWQVALGIIV-UHFFFAOYSA-N;125.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329694;MM329694;C#CCC#CCC(C)O;OLFXMLHGFRZIJB-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329695;MM329695;C=C(C#N)CC(C=O)OC;IPAATBNKKCDXPI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329696;MM329696;C#CC(=C)C1CC1(O)CN;YPMOEKPGKDHEIT-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329697;MM329697;C=C(C#N)CC(C#N)OC;UUEXDUREYBRUTE-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329698;MM329698;C#CC(=C)C1CC1(O)CO;VFVFHPMYBFUEKW-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329699;MM329699;C=CC(CC(=O)C=O)OC;JCRZOJVAWPBIHR-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329700;MM329700;C#CC(=C)C1CC1(O)CF;DXWNEGYMLBJUSM-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329701;MM329701;C=CC(=N)NC(C=C)CC;JENQRAJQTLPVRN-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329702;MM329702;C#CC(=O)C1CC1(O)CC;HRUMOLUMUPKEGT-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329703;MM329703;C=CC(CC)N=C(N)C=O;WJWHOIPOBUXEML-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329704;MM329704;C#CC(=O)C1CC1(O)CO;KEYYZBMXNYYBAG-UHFFFAOYSA-N;140.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329705;MM329705;C=CC(N)=NC(C=O)CC;ZWRGRBPIIUIRTD-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329706;MM329706;C#CC(=C)C1CC1(F)CC;GDBOJWYHQZKVFS-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329707;MM329707;C=NN1CC(CC=O)C1;JOQJFHCMVAVBTK-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329708;MM329708;C#CC(=C)C1CC1(F)CN;LDRNUXYBKWXGIS-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329709;MM329709;C=CC(=N)NC(C=C)CN;RMYBVNCHPZIIHN-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329710;MM329710;C#CC(=C)C1CC1(F)CO;ZCNDSBWNXKNSAE-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329711;MM329711;CC12C=C(CO)C(C1)C2;ZCOUAWVQTOBSEH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329712;MM329712;C#CC(=C)C1CC1(F)CF;FVWFHRGLIRNTFG-UHFFFAOYSA-N;142.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329713;MM329713;C=CC(N)=NC(C=O)CO;VZFDOAXVZWBXAO-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329714;MM329714;C#CC(=O)C1CC1(F)CC;BLRJFYMOJQLTQL-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329715;MM329715;C=CC(=N)NC(C#N)CO;GGDRCZCJVJPWTB-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329716;MM329716;C#CC(=O)C1CC1(F)CO;OVJLELUSJVGPDG-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329717;MM329717;CC(C=O)N(C=N)C=O;PZYUQHHLDGCUHB-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329718;MM329718;C#CC(=O)C1CC1(F)CF;XOMUAIMDRDVZDL-UHFFFAOYSA-N;144.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329719;MM329719;C=CC(CC)C(=C)CO;VQJMPFBULIGODS-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329720;MM329720;C#CC(=C)C1CC1(C)NC;OMIXJQBCZRMBGX-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329721;MM329721;C=CCCC(=CC)CO;SZZAUSWMEGKNRC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329722;MM329722;C#CC(=O)C1CC1(C)NC;YYMILCIYAGIRIC-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329723;MM329723;C=CCC=C(CC)CO;LGDOQUJBCCVHHR-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329724;MM329724;C#CC(=C)C1CC1(C)OC;ZJEOLWXXENDYCF-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329725;MM329725;CC(C)(C)NN=CC(F)F;BCIDMEJLVBUCML-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329726;MM329726;C#CC(=O)C1CC1(C)OC;ATGWMNIZIUMWTK-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329727;MM329727;C=CC(CC)NC(=O)C#N;ZTVFDLPLUCPSTE-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329728;MM329728;C#CC(=C)C1NC1(C)CN;SXGKWRXXGHSBCD-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329729;MM329729;C=CC(=O)NC(C=C)CO;ILEMBXHYJBEXSR-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329730;MM329730;CC(C)=CCCCCO;NNIZQWMPDOFRLN-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329731;MM329731;C=CC(=O)NC(C=O)CO;ATEPTAAUEQMYLR-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329732;MM329732;CCC(=O)CCCCO;DLRHXUIJLTVTSL-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329733;MM329733;C=CC(=O)NC(C#N)CO;RRUIHDLXQLFRFO-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329734;MM329734;C=C(CCCCO)OC;GZARVKMDMPNHBL-UHFFFAOYSA-N;130.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329735;MM329735;O=CC(=O)NC(C=O)CO;SOLIASQMYLCJFA-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329736;MM329736;C#CC(=C)C1OC1(C)CC;MDGGABLREWWTRZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329737;MM329737;N#CC(CO)NC(=O)C=O;XBMPSWJGNUQDRE-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329738;MM329738;C#CC(=C)C1OC1(C)CN;UGLBZLAXPZFKNW-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329739;MM329739;C=C(C)C=CCCC(N)=O;KNHKFZROMHJESR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329740;MM329740;C#CC(=C)C1OC1(C)CO;URMWQTJIVKSMHT-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329741;MM329741;C#CC(=C)C1OC1(C)CF;XLLIFTUJCDFNEB-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329742;MM329742;C=CC(CF)NC(=O)C=O;SZNSGYYRMBDICS-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329743;MM329743;C#CC(=O)C1OC1(C)CC;UFNGILBNLXPQKN-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329744;MM329744;C=CC(=O)NC(C#N)CF;WWNGNFPZEAUPHG-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329745;MM329745;C#CC(=O)C1OC1(C)CF;UUOVAOILELDKAG-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329746;MM329746;O=CC(=O)NC(C=O)CF;JZAWWSOIXGBZFR-UHFFFAOYSA-N;147.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329747;MM329747;C#CC(=N)N1CC1(C)CC;BMKCKTUFATVOQX-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329748;MM329748;C=CC(=C)OC(C=C)CC;CRDHUCVHGOYOTR-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329749;MM329749;C#CC(=N)N1CC1(C)CN;IIICAVZHPUBKNB-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329750;MM329750;C=CC(CC)OC(=C)C=O;OZGQOJNJYJWWQJ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329751;MM329751;C#CC(=O)N1CC1(C)CC;GHARIGHNDAXVFK-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329752;MM329752;C=CC(CC)OC(=C)C#N;JFDXVJGZBCQHNX-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329753;MM329753;C#CC(=O)N1CC1(C)CN;AOUSOSNXJZXRMB-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329754;MM329754;C=CC(=C)OC(C=O)CC;OGNDMOLQZVXJKF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329755;MM329755;C=CC1(C)CC1C(=C)CC;GLSXRPLHBVTHGF-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329756;MM329756;C=CC(=C)OC(C#N)CC;QPGIWZPLIHNIDQ-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329757;MM329757;C=CC1(C)CC1C(=C)CN;BIRANEJJNUFCOB-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329758;MM329758;C=C(C#N)OC(C#N)CC;GPMGVSQCEFOIIA-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329759;MM329759;C=CC(=C)CCCCO;FKVKHLLMEZMUDC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329760;MM329760;C=CC(=C)OC(C=C)CN;IIAPZDCWSMCJDR-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329761;MM329761;C=CC1(C)CC1C(=C)CF;LPXWUGHHDLMQGI-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329762;MM329762;C=CC(=C)OC(C=O)CO;KOEOKCHKFGQDQF-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329763;MM329763;C=C(CC)C1CC1(C)C=O;ZLNCKVDWLDYZQK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329764;MM329764;C=C(C#N)OC(C=O)CO;WZUCGAGHQZMAPZ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329765;MM329765;C=C(CC)C1CC1(C)C#N;YUMGNCRRLHHYOT-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329766;MM329766;C=C(C=O)OC(C#N)CO;RUSIJBLGUAXWKY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329767;MM329767;C=C(C#N)CCCCO;NPYBEBHTNCHALE-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329768;MM329768;C=C(CO)C1CC1(C)C#N;QVGHITPRPKLKLP-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329769;MM329769;C=CC(=C)OC(C=C)CF;JRWYOJSUIXWIJA-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329770;MM329770;C=CC(CF)OC(=C)C=O;KHMDCHCJFSEMED-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329771;MM329771;C=C(CF)C1CC1(C)C=O;SYLJLFUXHCMNGD-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329772;MM329772;C=C(CF)C1CC1(C)C#N;AEIAPKVNYVQUTC-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329773;MM329773;C=CC(CF)OC(=C)C#N;HTQYUDJIZZFHEE-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329774;MM329774;C=CC1(C)CC1C(=O)CC;XFFGLSUUJWQJHK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329775;MM329775;C=CC(=O)OC(C=C)CC;PKLXYENYTHSQMI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329776;MM329776;C=CC1(C)CC1C(=O)CO;HIKVZVBFFMMNHD-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329777;MM329777;C=CC(CC)OC(=O)C#N;OFZPGAURXFPQGG-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329778;MM329778;C=CC1(C)CC1C(=O)CF;GSQKFNSFBUNXGT-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329779;MM329779;C=CC(=O)OC(C#N)CC;KFXOCFGDSQUMOS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329780;MM329780;CCC(=O)C1CC1(C)C=O;XOEQGVJUIXDFGQ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329781;MM329781;CCC(C=O)OC(=O)C#N;RRHYNVKKESOELO-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329782;MM329782;CCC(=O)C1CC1(C)C#N;GZLORIKQWXZTRF-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329783;MM329783;C=CC(=O)OC(C=C)CN;CVRFKCUPKWQVRY-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329784;MM329784;CC1(C=O)CC1C(=O)CO;PCDSTQRDBTYSMC-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329785;MM329785;C=CC(CO)OC(=O)C=O;HPAXBLZWBSMKME-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329786;MM329786;CC1(C#N)CC1C(=O)CO;GXDLWFGTTLQFJR-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329787;MM329787;C=CC(=O)OC(C=O)CO;LLTJUVNWXMHBBF-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329788;MM329788;CC1(C=O)CC1C(=O)CF;AKMHKIJZIZBPSX-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329789;MM329789;C=CC(=O)OC(C#N)CO;STFFBWQMYWUANZ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329790;MM329790;CC1(C#N)CC1C(=O)CF;LVPGEWYQYLYYGB-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329791;MM329791;C=CC1(N)CC1C(=C)CC;WYIUVOFHKMCHRA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329792;MM329792;N#CC(=O)OC(C#N)CO;LLTVWBDMKQMIRO-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329793;MM329793;C=CC1(N)CC1C(=C)CN;XQZCIBSZLAVLQP-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329794;MM329794;C=CC(=O)OC(C=C)CF;ZKUNMBHINTUWBD-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329795;MM329795;C=CC1(N)CC1C(=C)CO;SXIXIAMWKYFDGD-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329796;MM329796;N#CC(=O)OC(C=O)CF;SPNJYCJFTGYKIN-UHFFFAOYSA-N;145.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329797;MM329797;N#CC(=O)OC(C#N)CF;YWMHYALHRISPMM-UHFFFAOYSA-N;142.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329798;MM329798;C=CC1(N)CC1C(=C)CF;ITGNKAXXTKLKHT-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329799;MM329799;C=CC(OC)OC(=C)C#N;HIJATOBTXQGURG-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329800;MM329800;C#CC(=C)CCCCO;DNVLVYSRHUZRGD-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329801;MM329801;C=CC(=C)OC(C#N)OC;WAQBQYSYFGPEOW-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329802;MM329802;C=CC1(O)CC1C(=C)CN;YERLUSDCKHMYNF-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329803;MM329803;C=CC(=O)OC(C=C)OC;VAJAOAYUZPVNCQ-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329804;MM329804;C=CC1(O)CC1C(=C)CO;AAEARPVMJBSZFB-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329805;MM329805;C=CC(OC)OC(=O)C=O;LFVOACLDLYWVJD-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329806;MM329806;C=CC1(O)CC1C(=C)CF;ZJEHEWDSGQWCPP-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329807;MM329807;C=CC(OC)OC(=O)C#N;SRXDLHYSODUZCK-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329808;MM329808;C=C(CC)C1CC1(O)C=O;GXLWTKBANFQCDQ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329809;MM329809;C=CC(=O)OC(C=O)OC;PSJRWWQCMXXFID-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329810;MM329810;C=C(CC)C1CC1(O)C#N;KXUUGNYBCCLURZ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329811;MM329811;C=CC(=O)OC(C#N)OC;VXKOUPJLUKTRQC-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329812;MM329812;C=C(CO)C1CC1(O)C=O;GUEPXAGSVXPPEV-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329813;MM329813;COC(C#N)OC(=O)C=O;LNUILRGTWUVXIV-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329814;MM329814;C=C(CO)C1CC1(O)C#N;XGTGUHIOQLHIFP-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329815;MM329815;C=CC(=C)CN(C=N)CC;DDELUDXRCJBVJR-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329816;MM329816;C=C(CF)C1CC1(O)C=O;PNPIGXFPLBPIAQ-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329817;MM329817;C=CC(=C)CN(C=O)CC;IRRJPHFZTOORQA-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329818;MM329818;C=C(CF)C1CC1(O)C#N;BRWITHPWLFZYSZ-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329819;MM329819;C=C(C#N)CN(C=O)CC;OEOJQHGJYCRGPQ-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329820;MM329820;C=CC1(O)CC1C(=O)CC;HWJDJGQKZFJIEZ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329821;MM329821;C=CC(=C)CN(CC)N=C;VBBANFABSLXOTH-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329822;MM329822;CC(C)C=CC=CC(N)=O;ZUIDWQQHBOWXFL-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329823;MM329823;C=CC1(O)CC1C(=O)CO;MSACQFGPEMVABX-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329824;MM329824;C=C(C=O)CN(C=N)NC;KUUOAXDJNCAXGH-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329825;MM329825;C=CC1(O)CC1C(=O)CF;RHUGJUXCPJNIQO-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329826;MM329826;C=C(C#N)CN(C=N)NC;ZNHJXMMIQJBPPH-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329827;MM329827;CCC(=O)C1CC1(O)C=O;FJZOCBAAKJHZKG-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329828;MM329828;C=C(C=O)CN(C=O)NC;KTXJJQHQXZQDPS-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329829;MM329829;CCC(=O)C1CC1(O)C#N;LCWGZEAYDMQJRM-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329830;MM329830;C=C(C#N)CN(C=O)NC;ZSFBTTFDDPSWJC-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329831;MM329831;O=CC1(O)CC1C(=O)CO;RLDFQQZPXWBJNV-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329832;MM329832;C=CC(=O)CN(C=N)NC;LZERUBUVEYLBPB-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329833;MM329833;N#CC1(O)CC1C(=O)CO;ZPMFAIWCDMEFLV-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329834;MM329834;C=CC=CC(C)CC(N)=O;FFOXKVNZJVPUKU-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329835;MM329835;O=CC1(O)CC1C(=O)CF;WFVMWCVBLXFDGV-UHFFFAOYSA-N;146.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329836;MM329836;C=C(C=C(C)C#N)C(C)O;MRAWDKLZABOYOP-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329837;MM329837;N#CC1(O)CC1C(=O)CF;HWIXZBPUAOAIBS-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329838;MM329838;C=CC(=C)CN(C=O)OC;FFMOIZFQPVNKNM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329839;MM329839;C=CC1(F)CC1C(=C)CC;WLGMAZBVPQJDFY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329840;MM329840;C=C(C#N)CN(C=O)OC;XQVHYOUXXXELKZ-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329841;MM329841;C=CC1(F)CC1C(=C)CN;QVPZROUWOJUQET-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329842;MM329842;CON(C=O)CC(=O)C#N;QMWBROVHXWTDOL-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329843;MM329843;C=CC1(F)CC1C(=C)CO;FRRDHMKBQHZOSI-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329844;MM329844;C=CCC(=C)CCC(N)=O;PVFIUQVAZJFJIV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329845;MM329845;C=CC1(F)CC1C(=C)CF;NTFCZSIGACTFGL-UHFFFAOYSA-N;144.16;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329846;MM329846;CCN(C=N)NC(=O)C#N;LNFDBSHKQRPMNK-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329847;MM329847;C=C(CC)C1CC1(F)C=O;XWOCKQFSPMLBBL-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329848;MM329848;CCN(C=O)OC(=O)C=O;UBQQZPQLCDACKW-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329849;MM329849;C=C(CC)C1CC1(F)C#N;SHZZHLRMKJXVJF-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329850;MM329850;C#CC(=C)CC(C=C)CC;IWHORRDKCXPXBM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329851;MM329851;C=C(CO)C1CC1(F)C=O;GVEBOVIFQCJBSA-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329852;MM329852;C#CC(=C)CC(C=O)CC;VGCROBFWPUGMKL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329853;MM329853;C=C(CO)C1CC1(F)C#N;XICUGDXKVLKORI-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329854;MM329854;C#CC(=C)CC(C=C)CN;DWBSMLPZIIJZRT-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329855;MM329855;C=C(CF)C1CC1(F)C=O;QUWVXPYSYDOHFV-UHFFFAOYSA-N;146.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329856;MM329856;C=C(C=CC)CCC(N)=O;TYVBYZMGSVKQAV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329857;MM329857;C=C(CF)C1CC1(F)C#N;PBHVEJWGTYXMQG-UHFFFAOYSA-N;143.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329858;MM329858;C#CC(=C)CC(C=O)CO;HGSKLRYSUKJEKI-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329859;MM329859;C=CC1(F)CC1C(=O)CC;GMDYAFNBBCXYDO-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329860;MM329860;C#CC(=C)CC(C=C)CF;YCAJJGFTZMDMMO-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329861;MM329861;C=CC1(F)CC1C(=O)CF;UTXQIHXHBBXPIO-UHFFFAOYSA-N;146.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329862;MM329862;C#CC(=C)CC(C=O)CF;SYHFRWWFZZPWAT-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329863;MM329863;CCC(=O)C1CC1(F)C=O;ZJFDMSUNJFEXMC-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329864;MM329864;C#CC(=C)CC(C#N)CF;SCASKOWSHMDQRL-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329865;MM329865;CCC(=O)C1CC1(F)C#N;YUAVVAYZAKLTSE-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329866;MM329866;C#CC(=O)CC(C=C)CC;LAEYDRQMSMWCFC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329867;MM329867;O=CC1(F)CC1C(=O)CO;WJQKFMLPDOMSFK-UHFFFAOYSA-N;146.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329868;MM329868;C#CC(=O)CC(C=C)CO;FNFWUIWCUCMBEL-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329869;MM329869;N#CC1(F)CC1C(=O)CO;BAPJZJORTJCWRT-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329870;MM329870;C#CC(=O)CC(C#N)CO;VHQJRGFZALZHBJ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329871;MM329871;N#CC1(F)CC1C(=O)CF;MOJGUVAASMOTHV-UHFFFAOYSA-N;145.11;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329872;MM329872;C#CC(=C)CC(C=C)NC;AEJBTRJASJQUOW-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329873;MM329873;C=CC1(C)CC1C(=N)NC;GCCRVYPSAOEHBP-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329874;MM329874;C#CC(=C)CC(C#N)NC;DOSQQZLUFWIHNB-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329875;MM329875;C#CC(=O)CC(C=C)NC;ZSBHXMLVVNSRII-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329876;MM329876;C=CC1(C)CC1C(=N)NN;NGJGJTRAFZANLA-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329877;MM329877;C#CC(=C)CC(C=C)OC;VSKOHASPCALQBY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329878;MM329878;C=CC1(C)CC1C(=N)NO;ZXFYLXMWVPEUQJ-UHFFFAOYSA-N;140.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329879;MM329879;C#CC(=C)CC(C=O)OC;ULHMIMBXGOOYSL-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329880;MM329880;CN=C(N)C1CC1(C)C=O;JTOCUEUSHSQXRN-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329881;MM329881;C#CC(=C)CC(C#N)OC;RLIDOMPYVWAHQC-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329882;MM329882;CNC(=N)C1CC1(C)C#N;GUQPRCVZNQYURX-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329883;MM329883;C#CC(=O)CC(C=C)OC;PNORCBLUBMOLAT-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329884;MM329884;CC1(C=O)CC1C(=N)NO;WTZDJXVEEGSMPD-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329885;MM329885;C#CC(=N)NC(C=C)CO;MUMKNECIVRIOCS-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329886;MM329886;CC1(C#N)CC1C(=N)NO;FJOFUHGUUGLUCS-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329887;MM329887;C#CC(=O)NC(C#N)CO;KWOUHDWUPAMORM-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329888;MM329888;C#CC(=O)CCCCO;ITDRLEQPGSNURJ-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329889;MM329889;C#CC(=O)NC(C#N)CF;CFPOKNDXRRMKOR-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329890;MM329890;CC=C(C)CCCCO;RZLDFOKIYOYQOM-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329891;MM329891;C#CC(=C)OC(C=C)CC;COPVQHZCBBDCFH-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329892;MM329892;C=CC1(C)CC1C(=O)NO;AHTQDRCKBUZXIU-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329893;MM329893;C#CC(=C)OC(C=O)CC;HKDPDOWCOXKHKP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329894;MM329894;CNC(=O)C1CC1(C)C=O;ZHPKGYWEYHJVHF-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329895;MM329895;C#CC(=C)OC(C#N)CC;FGRVQWSWXJRSSE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329896;MM329896;CNC(=O)C1CC1(C)C#N;GVFHUZCTUVLYOM-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329897;MM329897;C#CC(=C)OC(C=C)CN;RKQIMRWBSHJIMI-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329898;MM329898;C=CC1(N)CC1C(=N)NC;BKADJJIOVNBZLJ-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329899;MM329899;C#CC(=C)OC(C#N)CO;WHXDBZVHKFGEQV-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329900;MM329900;C=CC1(N)CC1C(=N)NO;QYJHEDNTNHXNDK-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329901;MM329901;C#CC(=C)OC(C=C)CF;NNLCJCYWATZFQX-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329902;MM329902;C#CC(=C)OC(C#N)CF;VMOGHEWJARRZTP-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329903;MM329903;C=CC1(N)CC1C(=O)NC;LZAQNTPZKYJFSQ-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329904;MM329904;C#CC(=O)OC(C=C)CC;VFTOPPZECKQJJF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329905;MM329905;C=CC1(O)CC1C(=N)NC;YGZZKYMEZSXVBF-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329906;MM329906;C#CC(=O)OC(C=O)CC;FILBTDKSRQWGRP-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329907;MM329907;C=CC1(O)CC1C(=N)NN;KFZXSAVYOFWHNU-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329908;MM329908;C#CC(=O)OC(C=C)CN;CPVQMXUJXDBGJS-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329909;MM329909;C=CC1(O)CC1C(=N)NO;QWQVAEMLCRXSAM-UHFFFAOYSA-N;142.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329910;MM329910;C#CC(=O)OC(C=O)CO;HRDRPASGEUDARD-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329911;MM329911;CN=C(N)C1CC1(O)C=O;LFLDNSLKMAMBAZ-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329912;MM329912;C#CC(=O)OC(C=C)CF;FGCAYFCZCXOIIY-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329913;MM329913;CNC(=N)C1CC1(O)C#N;SIVBUWNWTRRMTG-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329914;MM329914;C#CC(=C)OC(C=C)OC;QLSIYRYEQYFGEE-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329915;MM329915;CC(=CF)CCCCO;CNQWKJOORACFFL-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329916;MM329916;C#CC(=O)OC(C=O)OC;TXVMRPNMTMAHBQ-UHFFFAOYSA-N;142.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329917;MM329917;N#CC1(O)CC1C(=N)NO;MPNMDBVNRBODIL-UHFFFAOYSA-N;141.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329918;MM329918;C#CC(=C)CN(CC)N=C;SDDCINOYNLKRNI-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329919;MM329919;C=CC1(O)CC1C(=O)NC;MVTHFZKUUVXRJX-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329920;MM329920;C#CC(=C)CN(C=N)NC;KIXKBEVXKPLMKW-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329921;MM329921;CC=C(F)CCCCO;URCSZYRRPNTJNX-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329922;MM329922;C#CC(=C)CN(C=O)NC;SAYLUTSPDFREMP-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329923;MM329923;C=CC1(O)CC1C(=O)NO;WAEADUANMGRTCG-UHFFFAOYSA-N;143.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329924;MM329924;C#CC(=O)NN(C=O)CC;NZQDKCJZHFVBOD-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329925;MM329925;CNC(=O)C1CC1(O)C=O;WZTOBWIBIOZQHK-UHFFFAOYSA-N;143.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329926;MM329926;C#CC(CC)CC(=C)CC;NYZXOHROJDUQJL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329927;MM329927;C#CC(CC)CC(=C)CN;XBEDJQTXOHGWER-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329928;MM329928;CNC(=O)C1CC1(O)C#N;JDRRACPHNYNWCF-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329929;MM329929;C#CC(CC)CC(=C)CO;WJDVZQHGYDQFHE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329930;MM329930;O=CC1(O)CC1C(=O)NO;KFIVJDVXNYLWNX-UHFFFAOYSA-N;145.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329931;MM329931;C#CC(CC)CC(=C)CF;IMZRNUMTQVFPTP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329932;MM329932;N#CC1(O)CC1C(=O)NO;KNONKOWNRUADFY-UHFFFAOYSA-N;142.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329933;MM329933;C#CC(CN)CC(=C)CN;JZWBYQOAJMWRJJ-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329934;MM329934;C=CC1(F)CC1C(=N)NC;RZWKFCKXSCKKQX-UHFFFAOYSA-N;142.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329935;MM329935;C#CC(CN)CC(=C)CO;CXWLXOVIZJVVCL-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329936;MM329936;C=CC1(F)CC1C(=N)NN;LBFWDEBQMJJNOR-UHFFFAOYSA-N;143.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329937;MM329937;C#CC(CN)CC(=C)CF;ZBYFPAKRNVSIRL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329938;MM329938;C=CC1(F)CC1C(=N)NO;CVBQHGJXCUTSOD-UHFFFAOYSA-N;144.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329939;MM329939;C=CC=C(C)CCC(N)=O;DOAZQIOSCFZDMD-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329940;MM329940;CN=C(N)C1CC1(F)C=O;MARQDJCIGBYNNV-UHFFFAOYSA-N;144.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329941;MM329941;C#CC(CF)CC(=C)CC;ZMWCFRBACLCGSF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329942;MM329942;CNC(=N)C1CC1(F)C#N;POQMXWKBAUSKKH-UHFFFAOYSA-N;141.15;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329943;MM329943;C#CC(CF)CC(=C)CN;RGDCWXZBKDEMDG-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329944;MM329944;OCCCCC(F)=CF;KVHSZOSGBCSNEG-UHFFFAOYSA-N;136.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329945;MM329945;C#CC(CF)CC(=C)CO;UCQYITQZJPPSRE-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329946;MM329946;N#CC1(F)CC1C(=N)NO;JNNKHIZYXOKECH-UHFFFAOYSA-N;143.12;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329947;MM329947;C#CC(CF)CC(=C)CF;FEFXECKSJFMNCN-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329948;MM329948;C=CC1(F)CC1C(=O)NC;FURPBOWRBDNLBA-UHFFFAOYSA-N;143.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329949;MM329949;C#CC(CC)CC(=O)CC;GMGGXKGUFXHZJZ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329950;MM329950;CC(CCCCO)=NN;ZYTREPHBQVBWHR-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329951;MM329951;C#CC(CC)CC(=O)CF;LZAFSXIWVAWVKR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329952;MM329952;C=CC1(F)CC1C(=O)NO;QNFLEYWECFODSX-UHFFFAOYSA-N;145.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329953;MM329953;C#CC(CO)CC(=O)CF;LGAYRQIVHGJGDC-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329954;MM329954;CNC(=O)C1CC1(F)C=O;SICZFVPEBXXNKH-UHFFFAOYSA-N;145.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329955;MM329955;C#CC(CF)CC(=O)CC;UNEWUIRNLHUNTK-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329956;MM329956;CNC(=O)C1CC1(F)C#N;DXXXZQNFOCYUTK-UHFFFAOYSA-N;142.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329957;MM329957;C#CC(CF)CC(=O)CO;RIALBQCZNUAADC-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329958;MM329958;N#CC1(F)CC1C(=O)NO;OWLYKKADOONURJ-UHFFFAOYSA-N;144.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329959;MM329959;C#CC(CC)CC(=N)NN;PNPLGDRFEYZZHH-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329960;MM329960;C=CC1(C)CC1C(=C)OC;PGPPDXSISSYVFE-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329961;MM329961;C#CC(CF)CC(=N)NN;VWXLOFUDNRUVHE-UHFFFAOYSA-N;143.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329962;MM329962;C=C(OC)C1CC1(C)C=O;JEJBTEJWFQGAFG-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329963;MM329963;C#CC(CF)CC(=N)NO;WOQOMAFAWDEHJV-UHFFFAOYSA-N;144.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329964;MM329964;C=C(OC)C1CC1(C)C#N;NMWMYPYLXDSSBL-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329965;MM329965;C#CC(CN)CC(=O)NO;BLNZQLDNOHXONW-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329966;MM329966;C#CC(CO)CC(=O)NC;CXKLVGQIBIZWTL-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329967;MM329967;C=CC1(C)CC1C(=O)OC;UMUULEHNTFEYIA-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329968;MM329968;C=C(C)C(=C)CCC(N)=O;FDHYUKFQOFFPAW-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329969;MM329969;COC(=O)C1CC1(C)C=O;PYOHUAMWZNJMFM-UHFFFAOYSA-N;142.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329970;MM329970;C#CC(CO)CC(=O)NO;QVHRNERZMFVLPP-UHFFFAOYSA-N;143.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329971;MM329971;C=CC1(N)CC1C(=C)OC;FDAOICSPACMXQP-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329972;MM329972;C#CC(CC)CC(=C)OC;LZSWSLQFHXQVKN-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329973;MM329973;C=CC1(N)CC1C(=O)OC;UHSJTMLFSJGJFO-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329974;MM329974;C#CC(CN)CC(=C)OC;LHAWFHIWFBLDLP-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329975;MM329975;C=CC1(O)CC1C(=C)OC;UZLBFHDBBOZEKD-UHFFFAOYSA-N;140.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329976;MM329976;C#CC(CF)CC(=C)OC;AGUATXTXNJOIEQ-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329977;MM329977;C=C(OC)C1CC1(O)C=O;LHHUZJASWMUFTL-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329978;MM329978;C#CC(CC)CC(=O)OC;WXLNGAXSQAELEH-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329979;MM329979;C=C(OC)C1CC1(O)C#N;SZPIAZNIFNDGDJ-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329980;MM329980;C#CC(CC(=C)CC)NC;SOLOSQNLCOOEJX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329981;MM329981;C=CC1(O)CC1C(=O)OC;ILGDAPKRPUXMIO-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329982;MM329982;C#CC(CC(=C)CN)NC;NRKUSKUBCJEFKA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329983;MM329983;C=CC1(F)CC1C(=C)OC;FOGNBRQYRXJCBJ-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329984;MM329984;C#CC(CC(=O)CF)NC;KNRMPMSOVHCDFJ-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329985;MM329985;C=C(OC)C1CC1(F)C=O;XJRYXKRRLRLPFK-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329986;MM329986;C#CC(CC(=N)NC)NC;ZEUUWURSJPRGHH-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329987;MM329987;C=C(OC)C1CC1(F)C#N;PTQNSQRCZDTZFT-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329988;MM329988;C#CC(CC(=N)NN)NC;JQNWBLIDSNQLCM-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329989;MM329989;C=CC1(F)CC1C(=O)OC;JWZKDVMILOKGMF-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329990;MM329990;C#CC(CC(=N)NO)NC;XRZJNQQHWDBYGJ-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329991;MM329991;COC(=O)C1CC1(F)C=O;NQXDHRJKRSZUNN-UHFFFAOYSA-N;146.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329992;MM329992;C#CC(CC(=O)NN)NC;JZIKSAHNBQVYMZ-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329993;MM329993;COC(=O)C1CC1(F)C#N;QZSCYTMCCMPDMK-UHFFFAOYSA-N;143.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329994;MM329994;C#CC(CC(=C)CC)OC;PBSPOMJMJGOIMA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329995;MM329995;C=CC1(C)NC1C(=C)CC;JJWFOBVAGSSEJC-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329996;MM329996;C#CC(CC(=O)CC)OC;GRQXFCHADBZBBU-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329997;MM329997;C=CC1(C)NC1C(=C)CN;YEEMSNZMXAMHKR-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329998;MM329998;C#CC(CC(=C)OC)OC;VYSCVRFFBSUXOI-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM329999;MM329999;CON1C=NC(C=O)C1;HGOGKUJSOSRHAL-UHFFFAOYSA-N;128.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330000;MM330000;C#CC(CC)NC(=N)CC;VZVVBYYZNMGDFG-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330001;MM330001;C=CC1(C)NC1C(=C)CF;HUCUQVXMRYSHBR-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330002;MM330002;C#CC(CC)NC(=N)CN;OBAMCWVOJKTRCK-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330003;MM330003;C=C(CC)C1NC1(C)C=O;ORZRXYNHBUSZJX-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330004;MM330004;C#CC(CN)NC(=N)CN;LSLLNBMIEHANDH-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330005;MM330005;C=C(CC)C1NC1(C)C#N;UTQYTAXUZAZARF-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330006;MM330006;C#CC(CO)NC(=N)CC;IDTZCRKCTULZMX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330007;MM330007;C#CC(CO)NC(=N)CN;DKIXQWBNSRJOJD-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330008;MM330008;CCc1nc(NC)c[nH]1;ARMUVIIPNSBPIH-UHFFFAOYSA-N;125.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330009;MM330009;C=C(CF)C1NC1(C)C=O;JDLMAAVJSLHVND-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330010;MM330010;C#CC(CO)NC(=N)CO;WJEAGBOUPUFZRX-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330011;MM330011;C=C(CF)C1NC1(C)C#N;CGUKBTBAIJDEBI-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330012;MM330012;C#CC(CF)NC(=N)CN;LYFDFPLKELNRRA-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330013;MM330013;OCCCCC=CCF;LTSQGXGJEHBLPU-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330014;MM330014;C#CC(CC)NC(=O)CO;OOTNICPRVZLCIU-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330015;MM330015;C#CC(CO)NC(=O)CC;PDLZDIGUXUNHLA-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330016;MM330016;C=CC=CCCCCO;RALPSXDBLSIJOH-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330017;MM330017;C#CC(CO)NC(=O)CO;GJMNBZOJTULKGL-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330018;MM330018;O=CC=CCCCCO;CTTFERSMKGDHRN-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330019;MM330019;C#CC(CF)NC(=O)CO;CQWWXGPOMGMILI-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330020;MM330020;C=NN=CCCCCO;MLCDBFPIILOEEJ-UHFFFAOYSA-N;128.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330021;MM330021;C#CC(CF)NC(=O)CF;HVHVVLABGPIECC-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330022;MM330022;CC1(C#N)NC1C(=O)CO;CYVVHULDCHUIIN-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330023;MM330023;C#CC(CN)NC(=N)NC;KBIUDQJTZBTJLO-UHFFFAOYSA-N;140.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330024;MM330024;C#CC=CCCCCO;MPVHACWELDAXCS-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330025;MM330025;C#CC(CN)NC(=N)NO;ZXBFRSSVFPAIDZ-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330026;MM330026;C=CC1(C)NC1C(=N)NC;ULDYMQTYLVDXBZ-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330027;MM330027;C#CC(CO)NC(=N)NC;NVSFZADBFSZLKW-UHFFFAOYSA-N;141.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330028;MM330028;C=CC1(C)NC1C(=N)NN;GUHMSZIWXXBIMD-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330029;MM330029;C#CC(CO)NC(=N)NN;BVTHHCIOLWQECG-UHFFFAOYSA-N;142.16;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330030;MM330030;CNC(=N)C1NC1(C)C#N;YKIXIOSKFQUQLV-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330031;MM330031;C#CC(CO)NC(=N)NO;WNHFCTDCDGWFEY-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330032;MM330032;C=C(C)CC(=C)CC(N)=O;XLOUUDVYUWKDGF-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330033;MM330033;C=C(C=CC(N)=O)C(C)C;GAYRYZPFNCUAFH-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330034;MM330034;C=CC1(C)NC1C(=O)NO;IBNYDMQKFLYGTJ-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330035;MM330035;C#CC(CO)NC(=O)NC;UXCKJLNQBSMZOD-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330036;MM330036;C=C(C)C=C(C)CC(N)=O;FUDAACXGIIMOSQ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330037;MM330037;CC(C)ON=CC(F)C#N;SMXTVQNKHXENQD-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330038;MM330038;C=CCCC(=C)CC(N)=O;GNQUJRPCCJXTBR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330039;MM330039;C#CC(CO)NC(=O)NO;KWXYWKCQLXPDGS-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330040;MM330040;CC1(C#N)NC1C(=O)NO;WFSQFPYSBJWHMN-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330041;MM330041;C#CC(CO)NC(=O)OC;JYVBQXUSSDPOCF-UHFFFAOYSA-N;143.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330042;MM330042;C=CC1(C)NC1C(=C)OC;JGSXCKLJVXHCKG-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330043;MM330043;C#CC(CF)NC(=O)OC;VNLOBGIZACCQSY-UHFFFAOYSA-N;145.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330044;MM330044;C=C(OC)C1NC1(C)C#N;PXBHEHGLYAQEMI-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330045;MM330045;C#CC(CC)OC(=C)CC;MWWNUEKMERMHKV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330046;MM330046;C=CC1(C)NC1C(=O)OC;DHIWOAPLFKMXFZ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330047;MM330047;C#CC(CN)OC(=C)CC;MOXTXGCPEUCRCO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330048;MM330048;C#CC(CO)OC(=C)CC;MLYMARVYNPRSDG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330049;MM330049;COC(=O)C1NC1(C)C=O;UXKWBISDSCFPOP-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330050;MM330050;C#CC(CF)OC(=C)CF;YZOHAVHEMCSIOE-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330051;MM330051;C=CC1(C)OC1C(=C)CC;DRPGJKXDLBVRHT-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330052;MM330052;C#CC(CC)OC(=O)CC;FNKQMPHNJNYIMO-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330053;MM330053;C=CC1(C)OC1C(=C)CN;RUBMYJWRUVJKIE-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330054;MM330054;C#CC(CN)OC(=O)CN;PPLDUZKHXQZUQW-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330055;MM330055;C=CC1(C)OC1C(=C)CO;IKOCDVMXLWXSGT-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330056;MM330056;C#CC(CO)OC(=O)CF;HDWHIYNBRYZLPU-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330057;MM330057;C=CC1(C)OC1C(=C)CF;SNYCAJSAZHWDMU-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330058;MM330058;C#CC(CF)OC(=O)CC;WVFPFAFZZBZTCL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330059;MM330059;C=C(CO)C1OC1(C)C#N;VNJWNSOIGFUEOW-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330060;MM330060;C#CC(CF)OC(=O)CO;QQTWZPFKOSWIKS-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330061;MM330061;C=C(CF)C1OC1(C)C#N;GTJIAMUJWGVQCX-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330062;MM330062;C#CC(CC)OC(=N)NC;DVLGMGALKWHTOY-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330063;MM330063;C=CC1(C)OC1C(=O)CC;OJSBTLQNJATSFC-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330064;MM330064;C#CC(CN)OC(=N)NC;BICYRDRMNATZJB-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330065;MM330065;CCC(=O)C1OC1(C)C#N;OOEMVYUBBNQVMP-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330066;MM330066;C#CC(CN)OC(=N)NO;GQARCJBWRFBAGM-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330067;MM330067;C=CC1(C)OC1C(=N)NC;QPZHJUYQSWQSBX-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330068;MM330068;C#CC(CO)OC(=N)NC;YOXPVYQHZHVFLW-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330069;MM330069;C=CC1(C)OC1C(=N)NN;FOKYSVQGTYFLIN-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330070;MM330070;C#CC(CF)OC(=O)NN;ZYKUBMYWZSNVKG-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330071;MM330071;CN=C(N)C1OC1(C)C=O;DBKJNWHPXBTEHP-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330072;MM330072;C#CC(CF)OC(=O)NO;WXBXVTCUXMMZFQ-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330073;MM330073;CNC(=N)C1OC1(C)C#N;BKOWYAZDAKKJFQ-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330074;MM330074;C#CC(OC)OC(=C)CC;HVCRVRQBFDZYEI-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330075;MM330075;C=CC1(C)OC1C(=O)NO;NJXUJCJDEQUFHI-UHFFFAOYSA-N;143.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330076;MM330076;C#CC(OC)OC(=C)CN;GVIPTMIIHJIZEJ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330077;MM330077;C#CC(OC)OC(=C)CF;BBJVGZOOCWFEDH-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330078;MM330078;CNC(=O)C1OC1(C)C=O;UWHXIDAGPSHLFG-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330079;MM330079;C#CC(OC)OC(=O)CC;ANFHCMCLZZYXSW-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330080;MM330080;CNC(=O)C1OC1(C)C#N;UIUAYBUOJOHKLX-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330081;MM330081;C#CC(CC)CC(=C)C=C;LBZHJFHLGNEBDN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330082;MM330082;C=CC1(C)OC1C(=C)OC;QCYZCNOJPKYSCQ-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330083;MM330083;C#CC(CC)CC(=C)C=O;XXWFUZAKIWMONX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330084;MM330084;C=C(OC)C1OC1(C)C#N;HLHMHILTLCZRHD-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330085;MM330085;C#CC(CF)CC(=C)C=C;HLLYDOOGDPWJPM-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330086;MM330086;C=CC1(C)CN1C(=N)CC;AROMOJODXNCZPP-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330087;MM330087;C#CC(CF)CC(=C)C=O;UOBWZHAMGQXHRK-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330088;MM330088;C=CC1(C)CN1C(=N)CN;VFQVGZRYZXUAQO-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330089;MM330089;C#CC(CC)CC(=O)C=C;CBMUMFNZBQQKEN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330090;MM330090;C=CC1(C)CN1C(=N)CO;GPZCKCCKWCYBBT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330091;MM330091;C#CC(CC)CC(=O)C#N;RAFMWTPOLIBSOL-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330092;MM330092;C=CC1(C)CN1C(=N)CF;YLQOFKQSFSENAR-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330093;MM330093;C#CC(CF)CC(=O)C=C;WEEMXLSGNLTXNS-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330094;MM330094;CCC(=N)N1CC1(C)C=O;YYBCBPHSYTXFRK-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330095;MM330095;C#CC(CC(=C)C=C)NC;WGPYDDGILYCCAO-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330096;MM330096;CCC(=N)N1CC1(C)C#N;UOBZWSKIOPDLPK-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330097;MM330097;C#CC(CC(=C)C=O)OC;GRYIMFULAUMNJD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330098;MM330098;CC1(C#N)CN1C(=N)CF;GKWLKOLDZQBNTA-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330099;MM330099;C#CC(CC(=C)C#N)OC;RBRMUKPKPVCECD-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330100;MM330100;C=CC1(C)CN1C(=O)CC;KCLWAUZUSZAFDM-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330101;MM330101;C#CC(CC(=O)C=C)OC;HPOFUBVAENPINB-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330102;MM330102;C=CC1(C)CN1C(=O)CO;DRHKAZCBRZTHNO-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330103;MM330103;C#CC(CO)NC(=N)C=C;RMIQCXLHDXLXFG-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330104;MM330104;C=CC1(C)CN1C(=O)CF;TZFXHLSWNBQRKR-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330105;MM330105;C=CC(C)=CCCC(N)=O;DTZVBFUZVBPNDI-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330106;MM330106;CCC(=O)N1CC1(C)C=O;WFPKKXLLDLNDAY-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330107;MM330107;C=C(CO)C(C)CC(C)=O;VVKPRXFGEKGRHZ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330108;MM330108;CCC(=O)N1CC1(C)C#N;ADVMPNUJTSXGIP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330109;MM330109;C#CC(CO)NC(=O)C=C;HHFOCDHAMAWIHA-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330110;MM330110;CC1(C=O)CN1C(=O)CO;MYWGSMIAQDPTQJ-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330111;MM330111;C#CC(CO)NC(=O)C=O;ZEZKQVSYSFBKJE-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330112;MM330112;CC1(C#N)CN1C(=O)CO;FNTBSXFBIPMBEX-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330113;MM330113;C#CC(CO)NC(=O)C#N;MCGPTWKSFHYWRD-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330114;MM330114;CC1(C#N)CN1C(=O)CF;YMQGGHODUKVTCU-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330115;MM330115;C#CC(CC)OC(=C)C=C;XBKAAHVPHGVMFU-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330116;MM330116;C=CC1(C)CN1C(=N)NC;FLRUVHJQYGMSMZ-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330117;MM330117;C#CC(CC)OC(=C)C=O;VKMTYEIFXJUQON-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330118;MM330118;C#CC(CC)OC(=C)C#N;JBBXRKLCQQODNG-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330119;MM330119;C=CC1(C)CN1C(=N)NN;YEDZKTKKWDFVKX-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330120;MM330120;C=CC1(C)CN1C(=N)NO;MUOKPRVGIMPHGP-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330121;MM330121;C#CC(CF)OC(=C)C#N;MYUWPXUTXIWRPL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330122;MM330122;CNC(=N)N1CC1(C)C=O;QRZKVARIEBJMRL-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330123;MM330123;C#CC(CC)OC(=O)C=C;HKHVJPNCXLADPY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330124;MM330124;CNC(=N)N1CC1(C)C#N;DWSJOZXLXBHKHL-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330125;MM330125;C#CC(CF)OC(=O)C=C;XLYUWWBYZGTDFT-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330126;MM330126;C=CC1(C)CN1C(=O)NO;BQKGEDIFZMUVAO-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330127;MM330127;C#CC(OC)OC(=C)C=C;GCSMSBAXEGDOEJ-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330128;MM330128;C#CC(OC)OC(=C)C#N;SPKJTALKKPTWRM-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330129;MM330129;CNC(=O)N1CC1(C)C#N;AOWNWNDAZOEPDF-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330130;MM330130;COC(=N)N1CC1(C)C#N;HERJWGCWQBPZNK-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330131;MM330131;C#CC(OC)OC(=O)C=O;YKQVPHAFDWYUOW-UHFFFAOYSA-N;142.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330132;MM330132;C=CC1(C)CN1C(=O)OC;XFXNIGQOECKBLI-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330133;MM330133;C#CC(=C)CC(C#C)CC;OMLZKBSTIFPCMF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330134;MM330134;COC(=O)N1CC1(C)C#N;MPXITUNAOCNEMG-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330135;MM330135;C=CC(=C)C(C)CC(N)=O;WTYVHDMJMKLPMY-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330136;MM330136;C=CC(=C)C1CC1(C)C=C;FTXHWVBULPDSKE-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330137;MM330137;C#CC(=O)CC(C#C)CO;DYEBKISSMRUTNF-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330138;MM330138;C=CC1(C)CC1C(=C)C=O;SFOPKECXWYJBGU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330139;MM330139;C#CC(=O)CC(C#C)CF;OXVDQUHRJCNUAF-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330140;MM330140;C=CC1(C)CC1C(=C)C#N;SKGBYBSINBLQSX-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330141;MM330141;C#CC(=C)CC(C#C)NC;WKFZTFVDNMFEMU-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330142;MM330142;C=CC(=C)C1CC1(C)C=O;PFFKBSGUFOIGJU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330143;MM330143;C#CC(=C)CC(C#C)OC;XNTQPVRSHOIDFF-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330144;MM330144;C=CC(=C)C1CC1(C)C#N;ZGKKBGISEZURJJ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330145;MM330145;C#CC(=O)CC(C#C)OC;VHFUPQUUPKAMKH-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330146;MM330146;C=C(C=O)C1CC1(C)C=O;XRBVWVDTPRWHKK-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330147;MM330147;C#CC(=O)NC(C#C)CO;KCFZBUCRLZGCPR-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330148;MM330148;C=C(C#N)C1CC1(C)C=O;NORAAVAISAAOJZ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330149;MM330149;C#CC(=C)OC(C#C)CC;CBMZBBUVFDKKCG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330150;MM330150;C=C(C=O)C1CC1(C)C#N;RIMRDRYXAVSNIC-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330151;MM330151;C#CC(=C)OC(C#C)CO;BANWETCWSZBWED-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330152;MM330152;C=C(C#N)C1CC1(C)C#N;UQIWWWZMCNODCT-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330153;MM330153;C#CC(=O)OC(C#C)CC;PPPWESUNFDWIDK-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330154;MM330154;C=CC(=O)C1CC1(C)C=C;GXIWOKPSFHVYDU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330155;MM330155;C#CC(=C)OC(C#C)OC;VRGRLXRZFJDSIK-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330156;MM330156;C=CC1(C)CC1C(=O)C=O;WZOFTQVPZAWAQV-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330157;MM330157;C=CC(C=C)CC(=C)CC;WQANWODLCLNSPY-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330158;MM330158;C=CC1(C)CC1C(=O)C#N;XGYDSBPVEMMSGQ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330159;MM330159;C=CC(C=C)CC(=C)CN;DDRQILHWCCIKCX-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330160;MM330160;C=CC(=O)C1CC1(C)C=O;VMTKQICHMXTKMR-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330161;MM330161;C=CC(C=C)CC(=C)CO;BDAGVULHWBDSPL-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330162;MM330162;C=CC(=O)C1CC1(C)C#N;WXXUJOSUWFFLNX-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330163;MM330163;C=CC(C=C)CC(=C)CF;ALQOCVXMMUFXNG-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330164;MM330164;CC1(C=O)CC1C(=O)C=O;VYWBJHVSTQVSQQ-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330165;MM330165;C=CC(C=O)CC(=C)CC;ZEZLPFLNOFRLSX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330166;MM330166;CC1(C=O)CC1C(=O)C#N;REUZATPHENSFMF-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330167;MM330167;C=CC(C#N)CC(=C)CC;CKWXSUYPTMSSBD-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330168;MM330168;CC1(C#N)CC1C(=O)C=O;UJDURRRZCCJWFV-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330169;MM330169;C=CC(C=O)CC(=C)CO;NIWMDECGRBLHPC-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330170;MM330170;CC1(C#N)CC1C(=O)C#N;UACCLPHMUQGAJJ-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330171;MM330171;C=CC(C#N)CC(=C)CO;UBPCSUSAWXHBSW-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330172;MM330172;C=CC(=C)C1CC1(N)C=C;VOCYVCHGSABGMN-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330173;MM330173;C=CC(C=O)CC(=C)CF;VCSWZFUNUFPLNH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330174;MM330174;C=C(CC=CC)CC(N)=O;AQAYJZZHBLVZBZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330175;MM330175;C=CC1(O)CC1C(=C)C=O;ZXDBEYGXORHGTM-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330176;MM330176;C=CC(C#N)CC(=C)CF;RRBXVCBEPDOYPX-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330177;MM330177;C=CC1(O)CC1C(=C)C#N;LZAWJPUPQKEYLZ-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330178;MM330178;C=C(CC)CC(C=O)C=O;VNFNTNBOAYJOLK-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330179;MM330179;C=CC(=C)C1CC1(O)C=O;LQTOWBUIZOXLNV-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330180;MM330180;C=C(CC)CC(C#N)C#N;HQBOERWVCKHOHM-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330181;MM330181;C=CC(=C)C1CC1(O)C#N;OSOZIHKXCXXMHC-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330182;MM330182;C=C(CF)CC(C#N)C#N;DAEIWYKGWYQLMW-UHFFFAOYSA-N;138.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330183;MM330183;C=C(C=O)C1CC1(O)C=O;HMOJBDHMSSNKMO-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330184;MM330184;C=CC(C=C)CC(=O)CC;DOWVIUXEFXVJPX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330185;MM330185;C=C(C#N)C1CC1(O)C=O;NVVPEDQQGJSDLK-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330186;MM330186;C=CC(C=C)CC(=O)CF;VYFSPCOLADRLTI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330187;MM330187;C=C(C=O)C1CC1(O)C#N;ODUOXIMZOCCGQS-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330188;MM330188;C=CC(C=O)CC(=O)CC;QMDZQMFSWKSRIE-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330189;MM330189;C=C(C#N)C1CC1(O)C#N;AWNXNCZDSBVKPZ-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330190;MM330190;C=CC(C#N)CC(=O)CC;BFDRQXXAJRCTMX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330191;MM330191;C=CC(=O)C1CC1(O)C=C;NNSKGOXYUIMHGU-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330192;MM330192;C=CC(C=O)CC(=O)CO;SUCQATDKBZECNU-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330193;MM330193;C=CC1(O)CC1C(=O)C=O;DECODLXTTWUUER-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330194;MM330194;CCC(=O)CC(C=O)C=O;CSDFHONTQZLXFS-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330195;MM330195;C=CC1(O)CC1C(=O)C#N;UCCKKVGKVVUILJ-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330196;MM330196;CCC(=O)CC(C#N)C=O;UNPPBZJNPUFAGH-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330197;MM330197;C=CC(=O)C1CC1(O)C=O;UIZSWSQTAPNBIU-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330198;MM330198;O=CC(C=O)CC(=O)CO;AHHWFJIFCWQXMJ-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330199;MM330199;C=CC(=O)C1CC1(O)C#N;ZLKXINAUANDIPJ-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330200;MM330200;N#CC(C#N)CC(=O)CO;GFHOPKIMWPWGDG-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330201;MM330201;O=CC(=O)C1CC1(O)C=O;ALYZKZJAKBBCBG-UHFFFAOYSA-N;142.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330202;MM330202;O=CC(C=O)CC(=O)CF;VQRUTQXQWBZRDH-UHFFFAOYSA-N;146.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330203;MM330203;N#CC(=O)C1CC1(O)C=O;CTGKAUMAYKPCOL-UHFFFAOYSA-N;139.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330204;MM330204;C=CC(C=C)CC(=N)NN;OWEMAODKTMQOTK-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330205;MM330205;N#CC1(O)CC1C(=O)C=O;FSMZKHGIWJGVAB-UHFFFAOYSA-N;139.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330206;MM330206;C=CC(C=C)CC(=N)NO;XDEHYLILAVETLV-UHFFFAOYSA-N;140.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330207;MM330207;N#CC(=O)C1CC1(O)C#N;WRVGCSMRAMCGMI-UHFFFAOYSA-N;136.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330208;MM330208;C=CC(C#N)CC(=N)NC;TVELJUMBSREWGW-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330209;MM330209;C=CC(=C)C1CC1(F)C=C;BBQUCVOLKNNRKK-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330210;MM330210;C=CCC(C=C)CC(N)=O;DYPRDLWDKYGPCK-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330211;MM330211;C=CC1(F)CC1C(=C)C=O;VQGRCRFMCLZVDP-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330212;MM330212;N#CC(C#N)CC(=N)NO;VIGIEGRGWDPYFU-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330213;MM330213;C=CC1(F)CC1C(=C)C#N;BLMAGLMOIPDSOP-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330214;MM330214;C=CCC=CCCC(N)=O;JZVHSDMUFCOATN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330215;MM330215;CC=CC=CCCC(N)=O;IIXWTOARBIZURZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330216;MM330216;C=CC(=C)C1CC1(F)C=O;IRIKUAPCMAWDTL-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330217;MM330217;C=CC(=C)C1CC1(F)C#N;MJSRFNHGEZDWEJ-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330218;MM330218;C=CC(C#N)CC(=O)NC;GZZRWNHSWQIPDB-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330219;MM330219;C=C(C#N)C1CC1(F)C=O;MGEJQIKGSICOOM-UHFFFAOYSA-N;139.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330220;MM330220;CNC(=O)CC(C#N)C=O;ADOPUHUBZGTUGP-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330221;MM330221;C=C(C#N)C1CC1(F)C#N;QKHLNRNVVTXSBH-UHFFFAOYSA-N;136.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330222;MM330222;O=CC(C=O)CC(=O)NO;DTWRBVUYXGNMEB-UHFFFAOYSA-N;145.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330223;MM330223;C=CC(=O)C1CC1(F)C=C;PVJVGTNJSNUTLJ-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330224;MM330224;N#CC(C=O)CC(=O)NO;NMSJRGQZURBMOE-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330225;MM330225;C=CC1(F)CC1C(=O)C=O;SPDPIPQASAUJBV-UHFFFAOYSA-N;142.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330226;MM330226;C=CC(C=C)CC(=C)OC;KADCPWBWLKLRLW-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330227;MM330227;C=CC1(F)CC1C(=O)C#N;OQHXLPHLDHDIGW-UHFFFAOYSA-N;139.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330228;MM330228;C=CC(C=O)CC(=C)OC;NNHJLKVQVMNNER-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330229;MM330229;C=CC(=O)C1CC1(F)C=O;JEHXGFUSSZJZGC-UHFFFAOYSA-N;142.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330230;MM330230;C=C(CC(C#N)C#N)OC;BNBMAJDHXMQOFZ-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330231;MM330231;C=CC(=O)C1CC1(F)C#N;GYLDGVKNJDFWCN-UHFFFAOYSA-N;139.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330232;MM330232;C=CC(C=C)CC(=O)OC;SVGRCPGPOMOUIV-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330233;MM330233;O=CC(=O)C1CC1(F)C=O;JDKSNJNOPSUWDK-UHFFFAOYSA-N;144.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330234;MM330234;C=CC(C=C)NC(=N)CC;KORIZCYSYYEXFA-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330235;MM330235;N#CC(=O)C1CC1(F)C=O;WJULJKSSRVRMFY-UHFFFAOYSA-N;141.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330236;MM330236;C=CC(C#N)NC(=N)CC;SRGGLTVXIDALDX-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330237;MM330237;N#CC1(F)CC1C(=O)C=O;GQEPNKIWQAHHLA-UHFFFAOYSA-N;141.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330238;MM330238;NN=CCNN=CC(F)F;VJSLVHPWCYDKHB-UHFFFAOYSA-N;150.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330239;MM330239;N#CC(=O)C1CC1(F)C#N;GRKCANZCKHPJFU-UHFFFAOYSA-N;138.1;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330240;MM330240;CCC(=N)NC(C=O)C=O;OROBBRHTTZYRFE-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330241;MM330241;C=CC(=C)C1NC1(C)C=C;OQSRADJHLQFMPW-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330242;MM330242;CCC(=N)NC(C#N)C=O;LTNYVIFTAPNNRL-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330243;MM330243;C=CC1(C)NC1C(=C)C=O;AQIMFZFMRAKNGA-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330244;MM330244;NC(CO)=NC(C=O)C=O;SOCBANGJBQIMKK-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330245;MM330245;C=CC1(C)NC1C(=C)C#N;OJAHUADXTGWSNQ-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330246;MM330246;CCCC=CC=CC(N)=O;GSHDXSRSGKTAJL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330247;MM330247;C=CC(=C)C1NC1(C)C=O;CWWUGWLTMYUCTP-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330248;MM330248;O=CCNC=NC=C(F)F;XVSXJRMUJRNZGX-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330249;MM330249;C=CC(=C)C1NC1(C)C#N;RYDYCYCWCMUDQH-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330250;MM330250;C=CC(C=C)NC(=O)CC;UVYFLIUJGQQQTP-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330251;MM330251;C=C(C=O)C1NC1(C)C#N;KGWCLXOIBQOOJO-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330252;MM330252;C=CC(C=C)NC(=O)CO;RAROIHHZQQGXAR-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330253;MM330253;C=C(C#N)C1NC1(C)C#N;PPJABDCPMRHTJN-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330254;MM330254;C=CC(C=O)NC(=O)CO;HQZZOXJVXRSAKZ-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330255;MM330255;C=CCC=C(C)CC(N)=O;ACJZOKXFDFXVSQ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330256;MM330256;C=CC(C#N)NC(=O)CO;ZMOBFPZUPPEKPO-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330257;MM330257;CC=CC=C(C)CC(N)=O;OOQGAIRHMBQTQS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330258;MM330258;N#Cc1cc(=O)o[nH]1;DKVVMBXLVLYSCE-UHFFFAOYSA-N;110.07;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330259;MM330259;C=C(CC(C)=CC)C(N)=O;GSRPACBZSHLDTL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330260;MM330260;CCC(=O)NC(C#N)C=O;OLWIODGHKAKFIP-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330261;MM330261;C=CCC(C)=CCC(N)=O;SYOIQQJGWMKLRW-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330262;MM330262;Cn1nc(O)c(=NO)o1;KZZBFKPOSIEFNR-UHFFFAOYSA-N;131.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330263;MM330263;CC=CC(C)=CCC(N)=O;TVSIAIHQWWHSHL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330264;MM330264;CC1(C#N)NC1C(=O)C#N;ZCXJAUMHHXSFSZ-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330265;MM330265;N#CC(C=O)NC(=O)CO;JSXWAHSPFUUTLG-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330266;MM330266;C=CC(=C)C1OC1(C)C=C;CRGYWEXAMFGCLD-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330267;MM330267;N#CC(C#N)NC(=O)CO;WQOQXDIMCWVZLA-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330268;MM330268;C=CC1(C)OC1C(=C)C=O;OPTGXXCESFZCHH-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330269;MM330269;CN(OCC(=O)O)C(N)=O;WENIELLTLZPOBS-UHFFFAOYSA-N;148.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330270;MM330270;C=CC1(C)OC1C(=C)C#N;AAMSRCUWVVEIRK-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330271;MM330271;C=CC(C=C)NC(=N)NC;UTDDCOHINZZQCO-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330272;MM330272;C=CC(=C)C1OC1(C)C#N;NFPDWEIDSQIFAO-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330273;MM330273;C=CC(C=O)NC(=N)NC;VAHROVUWCYULIS-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330274;MM330274;C=C(C=O)C1OC1(C)C#N;UZJXKUHPAJNBJP-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330275;MM330275;C=CC(C#N)NC(=N)NC;WNDDSDWDNUQHNU-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330276;MM330276;C=CC(=O)C1OC1(C)C=C;HFBOCLXAWIONSY-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330277;MM330277;C=CC(C=O)NC(=N)NO;QGORVKVWIQYYSB-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330278;MM330278;C=CC(=N)N1CC1(C)C=C;IIIGBWTUFKNZJO-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330279;MM330279;CNC(=N)NC(C=O)C=O;WBVYGIJREKUAOI-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330280;MM330280;C=CC1(C)CN1C(=N)C=O;ZULNETQKZJOGQP-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330281;MM330281;C#CC#CC=C(C)C(C)O;RRQQVENPQUOHHA-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330282;MM330282;C=CC1(C)CN1C(=N)C#N;FCLWAGBLQCSAOI-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330283;MM330283;C=CC(C=C)NC(=O)NC;LVHDLBMQAMDWDM-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330284;MM330284;C=CC(=N)N1CC1(C)C=O;QADKUGGZGOUMJN-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330285;MM330285;C=CC(C=O)NC(=O)NC;YGSYUEAPXCFMCA-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330286;MM330286;CC1(C=O)CN1C(=N)C#N;FAVMTMQFJMFECJ-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330287;MM330287;C=CC(C#N)NC(=O)NO;LUFLAXWMLSQGTJ-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330288;MM330288;CC1(C#N)CN1C(=N)C=O;JMQQRLSZLQVJPH-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330289;MM330289;CNC(=O)NOCC(=O)O;FTSQBSUPJMMRMR-UHFFFAOYSA-N;148.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330290;MM330290;CC1(C#N)CN1C(=N)C#N;ASSPGEVQBCIQHL-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330291;MM330291;CNC(=O)NC(C#N)C=O;JFSWJFGLXFFFBF-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330292;MM330292;C=CC(=O)N1CC1(C)C=C;YCGLTBDRRCLMIE-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330293;MM330293;C=COCOC(=C)C(=O)O;NUWGGNBGGZAIKQ-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330294;MM330294;C=CC1(C)CN1C(=O)C#N;XUIGQIULOACEMT-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330295;MM330295;N#CC(C=O)NC(=O)NO;AUUXRQRQMVXDDC-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330296;MM330296;C=CC(=O)N1CC1(C)C#N;VUDYWLHBFILHLN-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330297;MM330297;CC1(C=O)CN1C(=O)C=O;WJWCKIWPRLUFEL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330298;MM330298;C=CC(C#N)NC(=N)OC;UMEGHRRPDOZXTI-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330299;MM330299;CC1(C#N)CN1C(=O)C=O;QWAOQHQYIKZGHL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330300;MM330300;CN=c1nncnc(=O)[nH]1;OZWLZTILHVZHFR-UHFFFAOYSA-N;139.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330301;MM330301;CC1(C#N)CN1C(=O)C#N;HAURIJGEFKRAAF-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330302;MM330302;C=CC(C=C)OC(=C)CC;XQKXRNXKYOODGR-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330303;MM330303;C#CC(=C)C1CC1(C)C=C;NFVPDOZVVQZMLK-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330304;MM330304;C=CC(C=C)OC(=C)CN;FWOZTCNLTICBHO-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330305;MM330305;C#CC(=C)C1CC1(C)C=O;CIOZCWLHIKQNGU-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330306;MM330306;C=CC(C=O)OC(=C)CC;ROFOLQVABVDEHF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330307;MM330307;C#CC(=C)C1CC1(C)C#N;GOZMDBALQLVRNZ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330308;MM330308;C=CC(C#N)OC(=C)CC;WPMHWAJVMPWUTC-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330309;MM330309;C#CC(=O)C1CC1(C)C=C;PNDBEYZNTAADAM-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330310;MM330310;C=CC(C=O)OC(=C)CF;XJASENVNOJPDRQ-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330311;MM330311;C#CC(=O)C1CC1(C)C=O;IIFJRGSMCYSBEZ-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330312;MM330312;C=CC(C#N)OC(=C)CF;NZMAAUJCXGJAQC-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330313;MM330313;C#CC(=O)C1CC1(C)C#N;SXKGDECUEIHWNP-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330314;MM330314;C=C(CC)OC(C#N)C=O;VUEYYOHZCWVHDC-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330315;MM330315;C#CC(=C)C1CC1(N)C=C;AHVNDPQHCJZWCR-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330316;MM330316;C=C(CO)OC(C#N)C=O;MNRBHDYUIUFRDF-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330317;MM330317;C=C(CC=C(C)C)C(N)=O;BEMUZFISTQAIBI-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330318;MM330318;C=C(CF)OC(C#N)C#N;ZSSXWFHNLFKWPP-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330319;MM330319;C#CC(=C)C1CC1(O)C=O;NZKVTJBTBORYAD-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330320;MM330320;C=CC(C=C)OC(=O)CC;CQZAXSAYJBMNJO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330321;MM330321;C#CC(=C)C1CC1(O)C#N;ZRKDYTDGIJHMHH-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330322;MM330322;C=CC(C#N)OC(=O)CC;DOSSBQVDQUEONJ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330323;MM330323;C#CC(=O)C1CC1(O)C=O;LNKUYLULKNZIFM-UHFFFAOYSA-N;138.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330324;MM330324;C=CC(C=O)OC(=O)CO;DFDJKSHTZKMCPK-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330325;MM330325;C#CC(=O)C1CC1(O)C#N;FCGZJHJZWIRXRR-UHFFFAOYSA-N;135.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330326;MM330326;C=CC(C#N)OC(=O)CO;XIBPEYAXZSHJAT-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330327;MM330327;C=CC(C#N)OC(=O)CF;MAZMYUKJMVONHB-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330328;MM330328;C#CC(=C)C1CC1(F)C=C;JMORVXUWSTYDTN-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330329;MM330329;C#CC(=C)C1CC1(F)C=O;TYIDRPSTPAATMG-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330330;MM330330;CN=c1ncnnc(=O)[nH]1;JGRJMBYBFUZGPM-UHFFFAOYSA-N;139.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330331;MM330331;C#CC(=C)C1CC1(F)C#N;BNGQHRMZLMZXSG-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330332;MM330332;CCC(=O)OC(C#N)C#N;GZPWWSWBWFOLNK-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330333;MM330333;C#CC(=O)C1CC1(F)C=C;MUEOEXPRMPBYPR-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330334;MM330334;CCONC(=O)C(O)CF;PMGZFBDNOHEFKP-UHFFFAOYSA-N;151.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330335;MM330335;C#CC(=O)C1CC1(F)C=O;HDHWUDMKMCAFGH-UHFFFAOYSA-N;140.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330336;MM330336;N#CC(C#N)OC(=O)CF;AXACJKOSTNLYDV-UHFFFAOYSA-N;142.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330337;MM330337;C#CC(=O)C1CC1(F)C#N;UNNOXNPGPCXVDX-UHFFFAOYSA-N;137.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330338;MM330338;C=CC(C=C)OC(=N)NC;KVXFVXUQYGEPII-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330339;MM330339;C#CC(=C)C1NC1(C)C=C;UNSZPEYFNXLIRC-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330340;MM330340;CNC(=N)OC(C=O)C=O;CWSJMHMYYJUEMJ-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330341;MM330341;CNC(=N)OC(C#N)C=O;PUJIMOBTPMVABX-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330342;MM330342;C#CC(=C)C1NC1(C)C=O;QPOSFSILEQYIFZ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330343;MM330343;C#CC(=C)C1NC1(C)C#N;PHUQKSZLEFGNGY-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330344;MM330344;C=CC(C=O)OC(=O)NC;UXWGCGWIGQMUBW-UHFFFAOYSA-N;143.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330345;MM330345;C=C(C)C(C)=CCC(N)=O;ICHQKAMJQCLXAR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330346;MM330346;Cc1nc(O)n(C)c(=O)n1;IREZTYQDOLXLRO-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330347;MM330347;C=CC(=C)CC=CC(N)=O;VPQRFGQHJVGRHM-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330348;MM330348;CNC(=O)OC(C#N)C=O;NIOATHKFVZLJSR-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330349;MM330349;C=CN(C=N)CC(=C)CN;JDXTXDUZHMNUFK-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330350;MM330350;C#CC(=C)C1OC1(C)C#N;XDRZZMHHEVTOHQ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330351;MM330351;C#CC(=N)N1CC1(C)C#N;WCXULVZVQAMLOZ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330352;MM330352;C=CN(C=O)CC(=C)CC;SKQDDWOKLRJBGG-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330353;MM330353;C#CC(=O)N1CC1(C)C=C;GKYSPCKJZXRPKD-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330354;MM330354;C=CN(C=O)CC(=C)CN;TYSQPDGEKXVKID-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330355;MM330355;C#CC(=O)N1CC1(C)C#N;NJVODJKNXZLYIX-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330356;MM330356;C=CN(C=O)CC(=C)CO;BQNAJPAACSWICZ-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330357;MM330357;C#CC1(C)CC1C(=C)CC;PLLBUZCOYDZBQB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330358;MM330358;C=C(CN)CN(C=N)C=N;RXYFPYPZVYKUSU-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330359;MM330359;C#CC1(C)CC1C(=C)CN;DAHBWEVXNYHSQW-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330360;MM330360;C=C(CF)CN(C=N)C=N;DVQCGYVXXSCGOK-UHFFFAOYSA-N;143.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330361;MM330361;C#CC1(C)CC1C(=C)CO;UHGWFTWOIXCUTI-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330362;MM330362;C=C(CN)CN(C=N)C=O;CHJXMNSJUAXHQA-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330363;MM330363;C#CC1(C)CC1C(=C)CF;PJIKEJGREYLJCW-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330364;MM330364;CC(C)=C(C(N)=O)C(C)C;IETYVPDTPRUOOC-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330365;MM330365;C#CC1(C)CC1C(=O)CC;GGWDIGXZLDNKQG-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330366;MM330366;C=C(CN)CN(C=O)C=O;GJKBXNHHBFBPLX-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330367;MM330367;C#CC1(C)CC1C(=O)CO;WIVYWSMNHSRGKX-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330368;MM330368;C=C(CF)CN(C=O)C=O;SASALXNMRUSURY-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330369;MM330369;C#CC1(C)CC1C(=O)CF;TZFCIUCRHFNRFC-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330370;MM330370;C=CN(C=N)CC(=O)CO;WWVWDICCGHHUQQ-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330371;MM330371;C#CC1(N)CC1C(=C)CC;VSWJRHMUVSLDOA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330372;MM330372;CC=NN1CC(CC=O)C1;NYWRUCRQHPHQKF-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330373;MM330373;C#CC1(N)CC1C(=C)CN;GIHAJDFQNKJGDN-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330374;MM330374;CCC(=O)CN(C=O)C=O;DFYJZEKBKSCWRC-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330375;MM330375;C#CC1(N)CC1C(=C)CO;TUOAGLSFOLZRNV-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330376;MM330376;C#CC1(N)CC1C(=C)CF;FWAWPOSMXIYTDD-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330377;MM330377;O=CN(C=O)CC(=O)CO;VXXCNGKCPGKWGI-UHFFFAOYSA-N;145.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330378;MM330378;C#CC1(O)CC1C(=C)CC;GQNLLXCSKLRMPF-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330379;MM330379;C=CN(C=O)CC(=N)NN;HMFBTFOHYWEZDA-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330380;MM330380;C#CC1(O)CC1C(=C)CN;HFSVQLLRCXQAFY-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330381;MM330381;C=CN(C=N)CC(=O)NN;IAELHJKIBGMCTO-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330382;MM330382;C#CC1(O)CC1C(=C)CO;UCCAROZISHEGRJ-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330383;MM330383;C=C(CC)CC(=CC)CO;QREWGJFZUSBVOV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330384;MM330384;C#CC1(O)CC1C(=C)CF;HEUUBDKCPBVZIN-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330385;MM330385;N=CN(C=O)CC(=O)NO;SRTGTTWQXWJIPR-UHFFFAOYSA-N;145.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330386;MM330386;C#CC1(O)CC1C(=O)CC;SWCWENHBPZNICX-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330387;MM330387;C=C(CF)CC(=CC)CO;GQLCPLSKXUYUEK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330388;MM330388;C#CC1(O)CC1C(=O)CO;BKMVMCSXMCDJHN-UHFFFAOYSA-N;140.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330389;MM330389;C=CN(C=N)CC(=C)OC;FNBCCUPLBIPYBW-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330390;MM330390;C#CC1(O)CC1C(=O)CF;RTSQEHVAYQZFNP-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330391;MM330391;C=C(CN(C=N)C=O)OC;UYBDQNAIAKNQRW-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330392;MM330392;C#CC1(F)CC1C(=C)CC;SSLOOXOYUZFCJM-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330393;MM330393;C=NN(C=N)CC(=C)CN;UAPGLRMUALZNOD-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330394;MM330394;C#CC1(F)CC1C(=C)CN;NMWHFPFGUOPYMP-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330395;MM330395;C=NN(C=N)CC(=C)CF;OLRJNUGHBMNVAV-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330396;MM330396;C#CC1(F)CC1C(=C)CO;KDTFOUUEEPXMPR-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330397;MM330397;CC=C(C)CC(=CC)CO;VCFLMGBTRVMEQY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330398;MM330398;C#CC1(F)CC1C(=O)CC;IBKAKEHJMLZKQL-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330399;MM330399;CC=C(CO)CC(C)=CF;NQIDMSIJOSNAMQ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330400;MM330400;C=NN(C=O)CC(=O)NO;QAIBVZZOZNGMAV-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330401;MM330401;C#CC1(F)CC1C(=O)CF;XXFSZLAQQHQBJI-UHFFFAOYSA-N;144.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330402;MM330402;C#CC1(C)CC1C(=N)NC;HYPJSFXCGFMYNH-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330403;MM330403;C=NN(C=N)CC(=C)OC;BPJZJTFZYJLQRI-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330404;MM330404;C#CC1(C)CC1C(=N)NN;SXKUTFLXEFKZMB-UHFFFAOYSA-N;137.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330405;MM330405;C=NN(C=O)CC(=O)OC;JIPDXVDUDQHCBB-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330406;MM330406;C#CC1(C)CC1C(=N)NO;MTWZWMWGEGNDFU-UHFFFAOYSA-N;138.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330407;MM330407;C=CN(C=O)NC(=N)CC;FYNJKBJUEOVHRG-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330408;MM330408;C#CC1(C)CC1C(=O)NC;WLXGFVDMBVERHO-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330409;MM330409;C=CN(C=O)NC(=N)CN;PWQLKWZVWKCLNF-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330410;MM330410;C#CC1(N)CC1C(=N)NC;MNUNUAHLEMPSBP-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330411;MM330411;CCC(=N)NN(C=N)C=N;OBYRDWZFKWCIJZ-UHFFFAOYSA-N;141.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330412;MM330412;C#CC1(N)CC1C(=N)NO;ZGRAKZHBSAOHTC-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330413;MM330413;CCC(=N)NN(C=N)C=O;MCOTVASPZRGUPK-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330414;MM330414;C#CC1(O)CC1C(=N)NC;LOEBKGGQYVOHPT-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330415;MM330415;CCC(=N)NN(C=O)C=O;RNNDOGZIPSWKSS-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330416;MM330416;C=CN(C=N)NC(=O)CO;UEIRWYHYBXIDDJ-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330417;MM330417;C#CC1(O)CC1C(=N)NN;ZMARUEBVGRLBQW-UHFFFAOYSA-N;139.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330418;MM330418;C#CC1(O)CC1C(=N)NO;KYENRISTOXUEBF-UHFFFAOYSA-N;140.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330419;MM330419;C=CN(C=O)NC(=O)CO;AKHAZDWUBVYJKW-UHFFFAOYSA-N;144.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330420;MM330420;C#CC1(O)CC1C(=O)NC;LFUOGPBLIRJQRX-UHFFFAOYSA-N;139.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330421;MM330421;CCC(=O)NN(C=N)C=O;FMZOVGHRPITODS-UHFFFAOYSA-N;143.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330422;MM330422;C=CC(C)C(=C)CC(N)=O;CXBSUIHNFGRULN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330423;MM330423;N=CN(C=O)NC(=O)CO;AUXMYNVZYWQOMK-UHFFFAOYSA-N;145.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330424;MM330424;C#CC1(O)CC1C(=O)NO;YWWFSOZNVSIUBD-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330425;MM330425;N=CN(C=O)NC(=O)CF;BNOSATIWBGJBKM-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330426;MM330426;C#CC1(F)CC1C(=N)NC;OZLJRCVIJLFUCG-UHFFFAOYSA-N;140.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330427;MM330427;O=CN(C=O)NC(=O)CO;YFGKCYBGTOJIKT-UHFFFAOYSA-N;146.1;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330428;MM330428;C#CC1(F)CC1C(=N)NN;DPGWBVYFTURGAF-UHFFFAOYSA-N;141.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330429;MM330429;CNC(=N)NN(C=N)C=O;PRHGXTBCEVXEHC-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330430;MM330430;C#CC1(F)CC1C(=N)NO;BDCOIKYMKJUKHG-UHFFFAOYSA-N;142.13;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330431;MM330431;N=CN(C=O)NC(=N)NO;JVQHVJYLCOJIIM-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330432;MM330432;C#CC1(F)CC1C(=O)NC;XWUULNQQOUBVKE-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330433;MM330433;CNC(=N)NN(C=O)C=O;MEOAAYWTSVRUGF-UHFFFAOYSA-N;144.13;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330434;MM330434;C#CC1(F)CC1C(=O)NO;RVANPWKORUFOTE-UHFFFAOYSA-N;143.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330435;MM330435;N=C(NN)NN(C=O)C=O;HWQDLZRYPFIUAW-UHFFFAOYSA-N;145.12;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330436;MM330436;C#CC1(C)CC1C(=C)OC;KCRBPESMFGSZMU-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330437;MM330437;C=CN(C=N)NC(=O)NN;KGBIDGXDNDTNOX-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330438;MM330438;C#CC1(C)CC1C(=O)OC;FAOKPQOMVGDRCQ-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330439;MM330439;CNC(=O)NN(C=N)C=O;PJCPLCYVRJFMGQ-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330440;MM330440;C#CC1(N)CC1C(=C)OC;LALVFBNQIMDJNV-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330441;MM330441;NNC(=O)NN(C=O)C=O;DHDUIOAIOOCVRW-UHFFFAOYSA-N;146.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330442;MM330442;C#CC1(O)CC1C(=C)OC;NXWAVNLHJFLWKI-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330443;MM330443;CC=C(C)C=C(CC)CO;NYSQUYDMIGQTQR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330444;MM330444;C#CC1(F)CC1C(=C)OC;GGQCGIBXXNCBJA-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330445;MM330445;C=C(C)CCC(=CC)CO;SXWQELHAFOBITF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330446;MM330446;C#CC1(F)CC1C(=O)OC;RXZMOJALBPRNPD-UHFFFAOYSA-N;142.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330447;MM330447;C=CN(C=O)NC(=O)OC;BZVRLGKQMKMTAU-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330448;MM330448;C#CC1(C)NC1C(=C)CC;BRDARFDDFALPLH-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330449;MM330449;COC(=O)NN(C=N)C=O;SJDWCFKNOPQMOF-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330450;MM330450;C#CC1(C)NC1C(=C)CN;OIFMYVBXFZSYAX-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330451;MM330451;COC(=O)NN(C=O)C=O;AZIWVYRADJTYCT-UHFFFAOYSA-N;146.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330452;MM330452;C=CC(C)=C(C)CC(N)=O;HJAOSCGZVWGRFN-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330453;MM330453;N=CN(C=N)OC(=O)CN;HCLKXHXMLAHJET-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330454;MM330454;C#CC1(C)NC1C(=C)CF;YLFRHMYQMFOTDL-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330455;MM330455;CC=C(CO)CCC(C)=O;YIWREHYCLQXGDJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330456;MM330456;C=CCC(=CC)CC(N)=O;FCSNIZGHKOYPIB-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330457;MM330457;C=CN(C=O)OC(=O)NN;DDYZMTUTGRRHAG-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330458;MM330458;C=CC=C(CC)CC(N)=O;MHNGLHRKZVDAJD-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330459;MM330459;C=C(F)CCC(=CC)CO;XMGYUZPVEGGAOX-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330460;MM330460;C=CC=CCC=CC(N)=O;NIHXGPRMFCEQJO-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330461;MM330461;COC(=O)ON(C=N)C=N;KRMGRUJYZMBNSX-UHFFFAOYSA-N;145.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330462;MM330462;C#CC1(C)NC1C(=N)NC;NLUHMJDPWCZIGG-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330463;MM330463;COC(=O)ON(C=N)C=O;YJAYIUJRNDGKAK-UHFFFAOYSA-N;146.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330464;MM330464;C#CC1(C)NC1C(=N)NN;VMPLPARHIPZFFW-UHFFFAOYSA-N;138.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330465;MM330465;C=CC(=C)CC(C=C)C=C;CVGXUZAOQGWLDS-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330466;MM330466;C=C(CCC)CCCCO;RACPRWYFLVICBM-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330467;MM330467;C=CC(C=C)CC(=C)C=O;TXTZLZOJZHJPLS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330468;MM330468;C=C(CCF)CCCCO;AHSNVPQWNXQBND-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330469;MM330469;C=CC(C=C)CC(=C)C#N;BMZPRQMZFYAZLM-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330470;MM330470;C#CC1(C)NC1C(=C)OC;DPIFCHHSHLKOII-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330471;MM330471;C=CC(=C)CC(C=C)C=O;FMUBHWOIYARHMK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330472;MM330472;C#CC1(C)NC1C(=O)OC;XRZNBCAPTGUEGX-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330473;MM330473;C=CC(=C)CC(C#N)C=C;AELGDMSECORGGC-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330474;MM330474;C#CC1(C)OC1C(=C)CN;AFJPFFBGPZFRON-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330475;MM330475;C=CC(C=O)CC(=C)C=O;XHDPMXAQTVFLCO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330476;MM330476;C#CC1(C)OC1C(=C)CO;FLDIRXPYBWCQDJ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330477;MM330477;C=CC(C=O)CC(=C)C#N;UFWHJUQYPIHOEQ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330478;MM330478;C#CC1(C)OC1C(=C)CF;UTJVHYMGPJCEAM-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330479;MM330479;C=CC(C#N)CC(=C)C=O;JZRUBXFYYHQQSQ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330480;MM330480;C#CC1(C)OC1C(=O)CC;XVPLCOHGAUTADA-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330481;MM330481;C=CC(C#N)CC(=C)C#N;XMIMNADWUABBTG-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330482;MM330482;C#CC1(C)OC1C(=O)CO;PTXUBWSUHKMGNI-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330483;MM330483;C#CC1(C)OC1C(=O)CF;NCRIQCUHQZHFCD-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330484;MM330484;C=CC(=O)CC(C=C)C=C;ZRKOKHAFCDUCKR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330485;MM330485;C#CC1(C)OC1C(=N)NC;ONTCEHYRJFWNEG-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330486;MM330486;C=CC(=O)CC(C=C)C=O;HPMPHMJWKJQQDE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330487;MM330487;C#CC1(C)OC1C(=N)NN;DWTJWIFRVDWXPF-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330488;MM330488;C=CC(=O)CC(C#N)C=C;NXGOPVZFRABCRH-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330489;MM330489;C#CC1(C)OC1C(=O)NC;DUOBVJFUXBXRHM-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330490;MM330490;C=CC(C#N)CC(=O)C=O;AEDKEXTWTJJKBN-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330491;MM330491;C=CCC(=C)CCCCO;OEWNTKWFUIYYCB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330492;MM330492;C=CC(C#N)CC(=O)C#N;GOYHAODAVWKJMH-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330493;MM330493;O=CC(=O)CC(C=O)C=O;NZWRSPHMZAEXAL-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330494;MM330494;C#CC1(C)OC1C(=C)OC;GDPDNIWOSKMLAU-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330495;MM330495;C#CC1(C)CN1C(=N)CC;ZBWZAFOFULJTAC-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330496;MM330496;C=CC(=N)NC(C=C)C=C;SMSXAYHSAMAUQK-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330497;MM330497;C#CC1(C)CN1C(=N)CN;XXFCFYZDIPKGKX-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330498;MM330498;C=CC(=N)NC(C#N)C=C;NALZFMYPWOGEGF-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330499;MM330499;C#CC1(C)CN1C(=N)CF;IZIDDZKKJWWVGD-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330500;MM330500;C=CC(=CC)CCC(N)=O;XJSWTIRXBYFAJV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330501;MM330501;C#CC1(C)CN1C(=O)CC;SBNYHPJAODIJEM-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330502;MM330502;C=C(CO)C(C)C(C)=CC;QQMNVGPQUOQPTL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330503;MM330503;C#CC1(C)CN1C(=O)CO;CMTUCEAUFJYFKU-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330504;MM330504;C=CC(C=C)NC(=O)C#N;NGZCETXYIHDUDC-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330505;MM330505;C#CC1(C)CN1C(=O)CF;KHJILBMDMYLIIP-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330506;MM330506;C=CC(=O)NC(C=C)C=O;BOJVMKKOCUVKBJ-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330507;MM330507;C#CC1(C)CN1C(=N)NC;DUGGCTXBVUJPTC-UHFFFAOYSA-N;137.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330508;MM330508;C=CC(C#N)NC(=O)C#N;KKKPGKBFTOCQNZ-UHFFFAOYSA-N;135.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330509;MM330509;C#CC1(C)CN1C(=N)NN;JYHXEWKBUNKLPB-UHFFFAOYSA-N;138.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330510;MM330510;NN=c1onnc(O)c1F;PRURQYSFXLUFFT-UHFFFAOYSA-N;146.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330511;MM330511;C#CC1(C)CN1C(=N)NO;MMTPZRFIFQCRKS-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330512;MM330512;C=CC(=O)NC(C#N)C=O;PQGUIRWGAQXXFC-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330513;MM330513;C#CC1(C)CN1C(=O)NC;SCDIMIRJINAVPG-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330514;MM330514;C=CC(=C)OC(C=C)C=C;RQGVQRDMBGJOSI-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330515;MM330515;C=C(CC=O)CCCCO;QUIROXOWCQVFBZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330516;MM330516;C=CC(C=C)OC(=C)C=O;AZGBWTJPBDXJJT-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330517;MM330517;C#CC1(C)CN1C(=N)OC;BKLGXVWPNXXUEG-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330518;MM330518;C=CC(C=C)OC(=C)C#N;WQAMQCVZGZXRBQ-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330519;MM330519;C#CC1(C)CN1C(=O)OC;HQDMCQPDHNGHFC-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330520;MM330520;C=CC(=C)OC(C#N)C=C;OIWBLSSCRVNBLG-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330521;MM330521;C#CC1(C)CC1C(=C)C=C;BPFXVTYXIQEZRI-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330522;MM330522;C=CC(C=O)OC(=C)C#N;UORWYOHAFUKZLK-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330523;MM330523;C=CC(C#N)OC(=C)C#N;KXTNHGZVIYKHDE-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330524;MM330524;C#CC1(C)CC1C(=C)C=O;UHYBETXFWMEDPW-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330525;MM330525;C=CC(=C)OC(C#N)C=O;GARQPNXNDNSLAX-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330526;MM330526;C#CC1(C)CC1C(=C)C#N;XCXMLZBFFNHMNE-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330527;MM330527;C=CC(=C)OC(C#N)C#N;IHCHWNQEOGVXRC-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330528;MM330528;C#CC1(C)CC1C(=O)C=C;DJHPMMIBYNNSRG-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330529;MM330529;C=CC(=O)OC(C=C)C=C;BVCPSMCWPDTVJY-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330530;MM330530;C#CC1(C)CC1C(=O)C=O;OZCMBPJBDAKZMX-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330531;MM330531;C=CC(C=C)OC(=O)C#N;UHJSQSMTAFPCQG-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330532;MM330532;C#CC1(C)CC1C(=O)C#N;FSJFWUDZKNKGBD-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330533;MM330533;C=CC(=O)OC(C#N)C=C;KDWQFHPJMZUXNN-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330534;MM330534;C#CC1(N)CC1C(=C)C=C;AXQDYWZDNGOIPP-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330535;MM330535;C=CC(=O)OC(C#N)C=O;HYUGBDTVQAKWLN-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330536;MM330536;C#CC1(O)CC1C(=C)C=C;FDSDROUWWJRGRR-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330537;MM330537;C#CC1(O)CC1C(=C)C=O;JIAVALIUPPOENF-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330538;MM330538;C=CC(=C)CN(C=C)C=N;FNUHPHRPXUFJIK-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330539;MM330539;C#CC1(O)CC1C(=C)C#N;ILDVLHVTTSGZCC-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330540;MM330540;C=CN(C=N)CC(=C)C#N;SADXGCXRWWOFNT-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330541;MM330541;C#CC1(O)CC1C(=O)C=C;LASSGAZJAFHSIW-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330542;MM330542;C=CC(=C)CN(C=C)C=O;PCDJOLCEVBECCD-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330543;MM330543;C#CC1(O)CC1C(=O)C=O;XOTGVDPRXSMVQY-UHFFFAOYSA-N;138.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330544;MM330544;C=C(C=O)CN(C=N)C=O;MSVQJXWYPRYPPI-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330545;MM330545;C#CC1(O)CC1C(=O)C#N;BPXWGILVLLGVOF-UHFFFAOYSA-N;135.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330546;MM330546;C=C(C#N)CN(C=N)C=O;QAFXFRJBLZWWBK-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330547;MM330547;C#CC1(F)CC1C(=C)C=C;IAQRNVJBVNCPQU-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330548;MM330548;CC=C(C)C(C)=C(C)CO;WECBKEKORWKTKW-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330549;MM330549;C#CC1(F)CC1C(=C)C#N;OFTWRLHSPYZFAK-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330550;MM330550;C=NN(C)C(=N)OCC=O;ZNTSBIIJQGQTCX-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330551;MM330551;C#CC1(F)CC1C(=O)C=C;AHXGSCWHPIXKMF-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330552;MM330552;N#CC(=O)CN(C=O)C=O;BOFRPSROUSHTQB-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330553;MM330553;C#CC1(F)CC1C(=O)C=O;VBYGJTCAPVFPNB-UHFFFAOYSA-N;140.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330554;MM330554;C=NN(C=N)CC(=C)C=O;UULDXGCCYHTCCM-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330555;MM330555;C#CC1(F)CC1C(=O)C#N;DYNQZFDMTBOUIL-UHFFFAOYSA-N;137.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330556;MM330556;C=NN(C=O)CC(=C)C=O;KPVNFPJEJQHRAS-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330557;MM330557;C#CC1(C)NC1C(=C)C=C;ZVNCYAWGLGPZRI-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330558;MM330558;C=C(CO)C(C)CC=CC;KLWWWTZZOFKCSQ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330559;MM330559;C#CC1(C)NC1C(=C)C=O;PCHOFUZLZDOESP-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330560;MM330560;CCCON=CC(F)C#N;RIRSGMZYZFJPPN-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330561;MM330561;C#CC1(C)NC1C(=C)C#N;RCRVKYKYXOUNCC-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330562;MM330562;C=CC(=N)NN(C=C)C=N;JMCNQHSYJRDZKI-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330563;MM330563;C=C(CC#N)CCCCO;UGJJYLFLAZZYEQ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330564;MM330564;C=CN(C=N)NC(=N)C=O;RPIWPIXVBUNPFB-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330565;MM330565;C=COC(=O)CCCCO;QGWWXDNYHHJIPL-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330566;MM330566;N#CC(F)C=NOCCF;LMPLLWSHKIHGMY-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330567;MM330567;C#CCC(=C)CCCCO;NVTVSGCVWGZFLD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330568;MM330568;C=CCON=CC(F)C#N;WNRBCEVTRAFRPE-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330569;MM330569;C#CC1(C)OC1C(=C)C=C;VTIQBXPXWOOOAL-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330570;MM330570;C=CC(=N)NN(C=N)C=N;KZIFDSUBBXAGCS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330571;MM330571;C#CC1(C)OC1C(=C)C=O;AEDUVUFENOSYEL-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330572;MM330572;C#CC1(C)C(C)C1CCO;DLQNZCYNNCCAHH-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330573;MM330573;C#CC1(C)OC1C(=C)C#N;LSTSPSRJPZDKTB-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330574;MM330574;C=CC(=N)NN(C=O)C=O;HQZFBAIFSFBUCM-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330575;MM330575;C#CC1(C)OC1C(=O)C=O;LLABLLCOTVBHDQ-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330576;MM330576;C=CC(CCC)C(=C)CO;LTWHYLRHJPAVIS-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330577;MM330577;C#CC1(C)OC1C(=O)C#N;QOASCHWWKASWMA-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330578;MM330578;C#CC1(C)CN1C(=N)C=C;GBPANGHSSAAZSR-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330579;MM330579;C=CCC(=CCCC)CO;PUUVPIYEUJNHEJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330580;MM330580;C#CC1(C)CN1C(=N)C=O;VNDQJTVJRIBKIU-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330581;MM330581;C=CN(C=N)NC(=O)C=O;GDDNXDUVIXSWHJ-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330582;MM330582;C#CC1(C)CN1C(=N)C#N;IPRFFCZDWIQJTJ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330583;MM330583;C=CC(=O)NN(C=N)C=O;QPFZUAWHKJVYDA-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330584;MM330584;C#CC1(C)CN1C(=O)C=C;FLMUCQJNUFYHAX-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330585;MM330585;C=CC(=O)NN(C=O)C=O;SOUXFOGQYFVOBU-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330586;MM330586;C#CC1(C)CN1C(=O)C=O;USGXZPAJQGHVGU-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330587;MM330587;O=CC(=O)NN(C=O)C=O;ULSNJAXBDUZPQG-UHFFFAOYSA-N;144.09;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330588;MM330588;C#CC1(C)CN1C(=O)C#N;HOZHMZYZIVPVEB-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330589;MM330589;C=CN(C=O)OC(=O)C=O;OQFLZIFXEPMGCG-UHFFFAOYSA-N;143.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330590;MM330590;C#CC(=C)C1CC1(C)C#C;YQGSAGQFSMTEBU-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330591;MM330591;C=CN(C=O)OC(=O)C#N;CRYOYDFSVXRGHM-UHFFFAOYSA-N;140.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330592;MM330592;C#CC(=O)C1CC1(C)C#C;BVRCYYOTMLWEBN-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330593;MM330593;N=CN(C=N)OC(=O)C=O;UCLBDICHIHTZRB-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330594;MM330594;C#CC(=C)C1CC1(N)C#C;SKOGBRWXNNIYKW-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330595;MM330595;N=CN(C=O)OC(=O)C=O;DGVXWYRTMDRRBC-UHFFFAOYSA-N;144.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330596;MM330596;C#CC(=C)C1CC1(O)C#C;REJFGCBPBWIXEP-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330597;MM330597;O=CC(=O)ON(C=O)C=O;YANXXNFKTRLYFU-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330598;MM330598;C#CC(=C)C1CC1(F)C#C;WRZGRQFEBVZRNK-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330599;MM330599;C#CC(=C)CC(C=C)C=C;LQZYRIFDRMAIIW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330600;MM330600;C#CC(=O)C1CC1(F)C#C;VLSJQFPABPBYJY-UHFFFAOYSA-N;136.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330601;MM330601;C#CC(=C)CC(C#N)C=C;QKOWRDRJKFIPBN-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330602;MM330602;C#CC(=C)C1NC1(C)C#C;ANYMNDMGEUIOMO-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330603;MM330603;C#CC(=C)CC(C#N)C=O;ASDBTAYQDKAVBG-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330604;MM330604;C=C(C#CC)CCCCO;CWMWVJOZRRNENA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330605;MM330605;C#CC(=C)CC(C#N)C#N;BRHVNKJOSBURPW-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330606;MM330606;C#CC(=C)C1OC1(C)C#C;UPMJTPLDVIGZAO-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330607;MM330607;C#CC(=O)CC(C=C)C=C;JNGFFOZCSIVWOQ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330608;MM330608;C#CC(=O)C1OC1(C)C#C;GDZRXEJMVQDPTN-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330609;MM330609;C#CC(=C)OC(C=C)C=C;DMAZPYNITMGLNW-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330610;MM330610;C#CC(=O)N1CC1(C)C#C;DHQWJFLBYHYSIB-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330611;MM330611;C#CC(=C)OC(C#N)C=C;GCWHISDYLUTMRF-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330612;MM330612;C=CC1(N)CNC(C)C1C;GSNGBGCIEMYBMN-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330613;MM330613;C#CC(=C)CN(C=C)C=N;CQWYEATZLMEOPV-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330614;MM330614;C#CC1(N)CCC(C)C1C;NKTGWQKEALFDGF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330615;MM330615;C#CC(=C)CN(C=N)C=N;FGQCAPHSJJKBOX-UHFFFAOYSA-N;135.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330616;MM330616;C#CC1(C)NCC(C)C1C;HUJVXJHGHAFBED-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330617;MM330617;C#CC(=C)CN(C=N)C=O;WOCGABSIVZUDIZ-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330618;MM330618;C=C1CCC(C)(CC)C1C;ZWKWQVRSZJQRPJ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330619;MM330619;C#CC(=O)CN(C=C)C=O;IVXKVLQKPQCMQK-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330620;MM330620;CCC1(C)CCC(=O)C1C;JNPMMGQFPPZHHV-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330621;MM330621;CC=CC=C(CO)CCC;LLGYRPBYRJTTLF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330622;MM330622;CC1C(=O)CCC1(C)CO;LNYADPJGCAMFBQ-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330623;MM330623;C#CC(=O)NN(C=N)C=O;KZBGOZGMCSCGSO-UHFFFAOYSA-N;139.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330624;MM330624;C=C1CCC(N)(CC)C1C;VFABCTXCNXLGGI-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330625;MM330625;C#CC(C=C)CC(=C)CC;UZLGUCYGHPJXLC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330626;MM330626;CCC1(C)CNC(=N)C1C;GNCDZDYWIJAYAD-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330627;MM330627;CCC1(C)CNC(=O)C1C;FPKBYZJGZOSIFW-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330628;MM330628;C#CC(C=C)CC(=C)CN;BXNIHJBNICJKIZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330629;MM330629;CCC1(N)CNC(=N)C1C;AUQOHWGLMAYAAJ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330630;MM330630;C#CC(C=C)CC(=C)CO;UIZGFUMGAHIDQT-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330631;MM330631;C=C1OCC(C)(CC)C1C;PLTPWCTYDLLUNV-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330632;MM330632;C#CC(C=C)CC(=C)CF;DWHUCCBXTZQYFX-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330633;MM330633;C=C1OCC(C)(CN)C1C;PNIZFMXXSCWDAC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330634;MM330634;C#CC(C=O)CC(=C)CF;ZCZODMMJZYXSNV-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330635;MM330635;C=C1OCC(C)(CO)C1C;OQVINDYTQFMQFT-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330636;MM330636;C#CC(C=C)CC(=O)CC;VHTIWPATPYEBTF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330637;MM330637;C=C1OCC(C)(CF)C1C;HCFIGNGZCAXXJB-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330638;MM330638;C#CC(C=C)CC(=O)CF;FTLPYAIRRBROCT-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330639;MM330639;C=C1OCC(N)(CC)C1C;HSUJPGOWPOGZOC-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330640;MM330640;C#CC(C=O)CC(=O)CC;KEZUTSTXLOZWMQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330641;MM330641;CCC1(C)NNC(=N)C1C;YYHUCVWQPMVSBG-UHFFFAOYSA-N;141.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330642;MM330642;C#CC(C#N)CC(=O)CC;UTZXEUDCDBOZLF-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330643;MM330643;C=C1CCC(C)(C#N)C1C;KGTVDDAEJGDQDS-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330644;MM330644;C#CC(C=C)CC(=N)NN;DTAIFACZAPZOPB-UHFFFAOYSA-N;137.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330645;MM330645;C=CC1(C)CCC(=O)C1C;MJJVHBWTCWXFPE-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330646;MM330646;C#CC(C=C)CC(=N)NO;GSMRIRASEQQYRL-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330647;MM330647;C=CC1(C)CNC(=N)C1C;CFIGKRCUDRQKLF-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330648;MM330648;C#CC(C=C)CC(=O)NC;OALJSLPWNQVURE-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330649;MM330649;C=CC1(C)COC(=C)C1C;VWFUZYRXNKSMFY-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330650;MM330650;CC=CCCC(=CC)CO;GLRYVPLRTBTVCD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330651;MM330651;C=CC1(C)NCC(=C)C1C;CPYCWKKATYAPRS-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330652;MM330652;C#CC(C=C)CC(=O)NO;PPAJFOQBEWPREV-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330653;MM330653;C=CC1(C)NNC(=N)C1C;CHDMZKYNHAPFRZ-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330654;MM330654;C#CC(C#N)CC(=O)NO;AQFAKXBWMNDEJN-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330655;MM330655;C#CC1(C)CNC(=N)C1C;RMEFNFAAPBFVDA-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330656;MM330656;C#CC1(N)CNC(=N)C1C;LPKUXDARLARHPG-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330657;MM330657;C#CC(C=C)CC(=C)OC;RNVRHHFOBTXCMW-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330658;MM330658;C#CC1(N)COC(=C)C1C;GXDMXJZBGKJHOI-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330659;MM330659;C#CC(C=C)CC(=O)OC;IQNKIENUNIKWJM-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330660;MM330660;C=C1C(C)CCC1(C)C=O;NOTVQQFCRGQQIL-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330661;MM330661;C#CC(C#N)CC(=O)OC;UKQPAKRSUXFXGD-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330662;MM330662;C=C1CCC(C)(CC)C1=C;SIGOILIDOZIJRO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330663;MM330663;C#CC(C=C)NC(=N)CC;VPQZGYHSBCWZIX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330664;MM330664;C=C1C(=O)CCC1(C)CC;OCLZDELZOVUWES-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330665;MM330665;C#CC(C=C)NC(=N)CO;JVZCEDUIIOFOCT-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330666;MM330666;C=C1CCC(N)(CC)C1=C;JONDYGQHLHGQEU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330667;MM330667;C#CC(C=O)NC(=N)CC;PUCRVBUPTLSONS-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330668;MM330668;CC#CC(=O)CCCCO;WUYOJMGBMLANKV-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330669;MM330669;CC=C(CO)CCC=CF;BPFNDEBYFXZDAK-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330670;MM330670;C=C1C(=N)NCC1(C)CC;QLSIUGQQOIVZKS-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330671;MM330671;C#CC(C=C)NC(=O)CC;YBZQCZJXCHQLNL-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330672;MM330672;C=C1C(=O)NCC1(C)CC;BUTLBCSVQRPQBQ-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330673;MM330673;C#CC(C=C)NC(=O)CO;TXGHZFQLAQSTPM-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330674;MM330674;C=C1C(=N)NCC1(N)CC;SIIXCHJTVUYKLL-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330675;MM330675;C#CC(C=O)NC(=O)CC;GFNQDDAXVTXIMV-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330676;MM330676;C=C1OCC(C)(NC)C1=C;VCHGBDWBYVVPFS-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330677;MM330677;C#CC(C#N)NC(=O)CC;SUWGVWDUECOVOG-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330678;MM330678;C=C1C(=N)NNC1(C)CN;IXWYYNNJONWCNS-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330679;MM330679;C#CC(C#N)NC(=O)CO;ASHQYOCKPZUXAR-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330680;MM330680;C=CC1(C)CCC(=C)C1=C;FILGGHYIQXPPOT-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330681;MM330681;C#CC(C#N)NC(=O)CF;JXAKICGPVBNWIE-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330682;MM330682;C=C1CCC(C)(C#N)C1=C;WCABKYCMDCLSGS-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330683;MM330683;C#CC(C=O)NC(=N)NC;XPYCEBYCFSHJRN-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330684;MM330684;C=CC1(N)CCC(=C)C1=C;FJCQMVRSWOKGKN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330685;MM330685;CC=CCC=C(CC)CO;KEVTXBZKRAIKIN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330686;MM330686;C=C1C(=N)NCC1(C)C#N;CMPVQUQNEIZQFQ-UHFFFAOYSA-N;135.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330687;MM330687;C#CC(C=C)NC(=O)NO;OVJUWXZTLUZEOZ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330688;MM330688;C=C1CNC(C)(C#N)C1=C;PHLFPWDWPMQJAW-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330689;MM330689;C#CC(C=O)NC(=O)NC;XKYQYFSKDFELRQ-UHFFFAOYSA-N;140.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330690;MM330690;C#CC1(C)CCC(=C)C1=C;RVXVGZYZRIYXCI-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330691;MM330691;C#CC(C#N)NC(=O)NC;NUFCZCUCBPGXOQ-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330692;MM330692;C#CC1(C)CCC(=O)C1=C;SZXZYMTUUDPTHN-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330693;MM330693;C#CC(C=O)NC(=O)NO;QBDKEMPRVSVIRE-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330694;MM330694;C#CC1(N)CCC(=C)C1=C;SDCZROJXWSJHIS-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330695;MM330695;C#CC(C#N)NC(=O)NO;VFSUZUHUVIGASF-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330696;MM330696;C#CC1(O)CCC(=C)C1=C;RYAOTCKEDCZWKG-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330697;MM330697;C#CC(C#N)NC(=O)OC;JBAPKHZTPVOOCV-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330698;MM330698;C#CC1(C)CNC(=N)C1=C;KESPZFISAXUNHP-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330699;MM330699;C#CC(C=C)OC(=C)CC;RNGZDXNYTRTJGF-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330700;MM330700;C#CC1(C)COC(=C)C1=C;QKQUSPSCMBNYII-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330701;MM330701;C#CC(C=C)OC(=C)CN;GUPJDALSGGUIHW-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330702;MM330702;C#CC(C=C)OC(=C)CF;DXRPFFNGWYLJNG-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330703;MM330703;C#CC1(C)NCC(=C)C1=C;VRPWPAGGVKQTLL-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330705;MM330705;C#CC1(C)NNC(=N)C1=C;WMQZIAFEDIZDLJ-UHFFFAOYSA-N;135.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330704;MM330704;C#CC(C=O)OC(=C)CC;MVVVIEMYJPSYTO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330706;MM330706;CCC1(C)C=CC(C)C1C;KRIISBMWANSMQA-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330707;MM330707;C#CC(C#N)OC(=C)CC;ADJUMTBCGROEOQ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330708;MM330708;C=CC#CCC(O)C=CC;PXPCKUUUGCLPOT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330709;MM330709;C#CC(C#N)OC(=C)CF;MVMJCPJGCUYTNB-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330710;MM330710;C#CC(C=C)OC(=O)CC;YGKAWETVKCNOJH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330711;MM330711;CCC1(C)C=CC(F)C1C;PYTHCAHTSNNCGC-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330712;MM330712;C#CC(C#N)OC(=O)CC;OWNVLRKBLRDFHO-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330713;MM330713;CCC1(N)C=CC(O)C1C;MGTQNRGVTILRFH-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330714;MM330714;C#CC(C#N)OC(=O)CF;VBASBKLYDRJARP-UHFFFAOYSA-N;141.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330715;MM330715;C=CC1(C)N=CN(C)C1C;VTQBNLYFHZWASL-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330716;MM330716;C#CC(C=C)OC(=N)NC;PQDFNZDKDOUQJR-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330717;MM330717;C=CC1(C)C=CC(C)N1C;WQFCEYFQHMFLNR-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330718;MM330718;C#CC(C=C)OC(=O)NC;QPZDHECLFSPJSS-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330719;MM330719;C#CC1(C)C=CC(N)C1C;QKLWMSWKWDYLGI-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330720;MM330720;C#CC(C=O)OC(=O)NC;DHSRVLQDTVOKGN-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330721;MM330721;CNN=C(C)CCCCO;SSPPCLSVDOPVQN-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330722;MM330722;C#CC(C#N)OC(=O)NC;WYHVFPDOXKARMM-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330723;MM330723;C#CC1(N)C=CC(O)C1C;IZYMATNRHDLIDE-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330724;MM330724;C#CC(C=C)CC(=C)C=C;IKRKLQFXOQQCAD-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330725;MM330725;C#CC1(C)N=CN(N)C1C;AQWHLLVIDUNQRS-UHFFFAOYSA-N;137.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330726;MM330726;C#CC(C=C)CC(=C)C=O;LGQLJZXDRIKBIA-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330727;MM330727;C=C1C=CC(C)(CC)C1C;APOWPWBVHGMSQV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330728;MM330728;C#CC(C=C)CC(=C)C#N;QQEWXHGCZXYEGV-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330729;MM330729;C=C1C=CC(C)(CN)C1C;OTOULXNXPNTVLH-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SN0";;;;;;;2.87;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330730;MM330730;C#CC(C#N)CC(=C)C#N;FPPVZMJDKMOAFK-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330731;MM330731;CCC1(C)C=CC(=O)C1C;BMTYWLSLELOJMY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330732;MM330732;C#CC(C=C)CC(=O)C=C;NLCQKTTWUWRQCR-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330733;MM330733;C=C1C=CC(N)(CC)C1C;YSTSHAQNIFXBAF-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330734;MM330734;C#CC(C#N)CC(=O)C#N;CIPORFUZRRDBMB-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330735;MM330735;C=CC1(C)C=CC(=C)C1C;CVEQKNRBLDBLNK-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330736;MM330736;C#CC(C=C)NC(=N)C=C;AKDIRVGSRGEOCZ-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330737;MM330737;C=C1C=CC(C)(C=O)C1C;MHUHNXMJDFCUHO-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330738;MM330738;C=C1C=CC(C)(C#N)C1C;IIALMUGOAIFOKG-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330739;MM330739;CCC(=CCC=CF)CO;LEHVWJHYLLKIDO-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330740;MM330740;C#CC1(C)C=CC(=C)C1C;WKKSNYQUBIDINA-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330741;MM330741;C#CC(C=C)NC(=O)C=C;SIZUKPOCOCYPGP-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330742;MM330742;C#CC1(N)C=CC(=C)C1C;JRVKTTKMLPTLSP-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330743;MM330743;C#CC(C=O)NC(=O)C=C;BSVKYOCIIMLHGV-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330744;MM330744;C#CC1(C)C=CC(=N)N1C;WASQWYIXBXXAAK-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330745;MM330745;C#CC(C#N)NC(=O)C=O;VUMCLJWTOKZZAG-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330746;MM330746;C=C1C(C)C=CC1(N)CN;OVISHTNTQYNBPL-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330747;MM330747;C#CC(C=C)OC(=C)C=C;PCTBDNFOTLHDCE-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330748;MM330748;C=C1C(N)C=CC1(N)CC;NTEANOIHPDQYIW-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330749;MM330749;C#CC(C=C)OC(=C)C#N;ZWNXNJXNPQRZSO-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330750;MM330750;C=CC1(N)C=CC(C)C1=C;CRLCIECLWYWBPV-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330751;MM330751;C#CC(C=O)OC(=C)C=C;QFOGISLYUPUODO-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330752;MM330752;C#CC1(C)C=CC(N)C1=C;VDVKORFJVIJSAI-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330753;MM330753;C#CC(C#N)OC(=C)C=C;LSCPCUDYCIOPDO-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330754;MM330754;C=C1C=CC(C)(CC)C1=C;LBWXSZIHIMXKHR-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330755;MM330755;C#CC(C#N)OC(=C)C#N;QPDKABCKBRMJCM-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330756;MM330756;C=C1C=CC(C)(CN)C1=C;YCRGXMQZJYARNK-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330757;MM330757;C#CC(C=C)OC(=O)C=C;CGENFBXTAFXQEX-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330758;MM330758;C=C1C(=O)C=CC1(C)CC;BSZFERUSPUZFCG-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330759;MM330759;C#CC(C=C)OC(=O)C=O;ZALCNALKWJLGGI-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330760;MM330760;C=C1C=CC(C)(NC)C1=C;AEWMHCOZGJWOPZ-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330761;MM330761;C#CC(C=C)OC(=O)C#N;UNQAQAODANGRTO-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330762;MM330762;C=C1C(=O)C=CC1(C)NC;KDWPJCIWWINISI-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330763;MM330763;C#CC(C=O)OC(=O)C=O;FZTODQMBSLZCIF-UHFFFAOYSA-N;140.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330764;MM330764;C#CC(C#N)OC(=O)C#N;AKEKGUSSYJSWQN-UHFFFAOYSA-N;134.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330765;MM330765;C=CC1(C)C=CC(=C)C1=C;HJKXHBWWXYTIBN-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330766;MM330766;C#CC(=C)CC(C#C)C=C;UTWMIDWVKDWZRV-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330767;MM330767;C=C1C(=O)C=CC1(C)C#N;HUUDHTONGAEXDN-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330768;MM330768;C#CC(=C)CC(C#C)C=O;FLMDPNOKJGQVFV-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330769;MM330769;C=CC1(N)C=CC(=C)C1=C;XGJYCYDQLOVYHG-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330770;MM330770;C#CC(=C)CC(C#C)C#N;HTFIJIAYMRYZND-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330771;MM330771;C=C1C=CC(O)(C=O)C1=C;WAYFLDXIBDRAAO-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330772;MM330772;C#CC(=O)CC(C#C)C#N;VSNHGFMGUPXDOU-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330773;MM330773;C=C1C=CC(O)(C#N)C1=C;PZQUDXYPKGJMDR-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330774;MM330774;C#CC(=O)NC(C#C)C=O;GBEGULDUQMOPBN-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330775;MM330775;C#CC1(C)C=CC(=C)C1=C;HYEXWHCTCGJQGI-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330776;MM330776;C#CC(=O)NC(C#C)C#N;QDYNNNVCUFJWDR-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330777;MM330777;C#CC1(C)C=CC(=O)C1=C;BXLFBTIGVIJBIL-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330778;MM330778;C#CC(=C)OC(C#C)C=O;OCEDYTHPWKXHON-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330779;MM330779;C#CC1(O)C=CC(=C)C1=C;UZOLVYBADNMLKB-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330780;MM330780;C#CC(=C)OC(C#C)C#N;WTGKGKODEMKMRG-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330781;MM330781;CCC1(C)CC=C(C)C1C;KOCGOAWUPBFFJF-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330782;MM330782;C#CC(=O)OC(C#C)C=C;QYPAJPHNMOMGHQ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330783;MM330783;CCC1(N)CC=C(C)C1C;CIDFAERPUJUEMU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330784;MM330784;C#CC(=O)OC(C#C)C#N;RNDDMFGSMBIZBD-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330785;MM330785;CNC1(C)CC=C(C)C1C;APXRVQIKSYFBDF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC2";;;;;;;3.13;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330786;MM330786;C#CC(C#C)CC(=C)CC;FJANKJKODAAZSW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330787;MM330787;CCC1(C)NN=C(C)C1C;DAKUOMXEEJASTB-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330788;MM330788;C#CC(C#C)CC(=C)CN;IGFJIKZPLUXMGR-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330789;MM330789;CC1=CCC(C)(C=O)C1C;WEZQTILPQXGCPB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330790;MM330790;C#CC(C#C)CC(=C)CO;MTGBSEPDVRDGDL-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330791;MM330791;C=CC1(N)CC=C(C)C1C;MIFDEKLOSCXLDV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330792;MM330792;C#CC(C#C)CC(=O)CC;KAFFQOQAGUMMLC-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330793;MM330793;C=CC1(C)NN=C(C)C1C;VUWYUKYPTSPWLB-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330794;MM330794;C#CC(C#C)CC(=N)NC;VXROEHLMHJWQTB-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330795;MM330795;C#CC1(C)CC=C(C)C1C;NLODIFDVFYXCLD-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330796;MM330796;C#CC(C#C)CC(=N)NN;XYBMRCLLJNANFZ-UHFFFAOYSA-N;135.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330797;MM330797;C#CC1(C)ON=C(C)C1C;HGWYPBSPKSORTN-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330798;MM330798;C#CC(C#C)CC(=N)NO;SVQJVTFNHFKTFX-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330799;MM330799;C=C1C(C)=CCC1(C)CC;OVOSFWAJSFLVGW-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330800;MM330800;C#CC(C#C)CC(=C)OC;YRNUTJRISXBOLT-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330801;MM330801;C=C1C(C)=CCC1(N)CC;WYLSOCAMMSADMW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330802;MM330802;C#CC(C#C)NC(=N)CC;GDUZOAROQYDLML-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330803;MM330803;C=CC1(C)CC=C(C)C1=C;ALOPKXOJHFWHCY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330804;MM330804;C#CC(C#C)NC(=N)CN;SXIOLCAOOLQFSJ-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330805;MM330805;C=C1C(C)=CCC1(C)C#N;CNRZKMCBCHSWTA-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330806;MM330806;C#CC(C#C)NC(=O)CC;KPUGHHWDHXZMQH-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330807;MM330807;C=CC1(N)CC=C(C)C1=C;NORNYKRALNEVAM-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330808;MM330808;C#CC(C#C)NC(=O)CO;LPGNTSQWASBHRZ-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330809;MM330809;C#CC1(C)CC=C(C)C1=C;PGQRCJBMLXZAKN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330810;MM330810;C#CC(C#C)OC(=C)CC;WHSIFJQLYDXFHS-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330811;MM330811;C#CC(C#C)OC(=C)CO;AUDFEEOXLKGLGK-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330812;MM330812;C#CC1(N)CC=C(C)C1=C;WZRFDGFTENVWAJ-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330813;MM330813;C#CC(C#C)OC(=C)CF;YEZJMGYALFDKRE-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330814;MM330814;CCC1(N)CCC(C)=C1C;OOOMOCPHSGXOHP-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330815;MM330815;C#CC(C#C)OC(=O)CC;MTVKIXAPYSXNRS-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330816;MM330816;CCC1(C)COC(C)=C1C;XTQZQMYPLYHFBS-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330817;MM330817;C#CC(C#C)OC(=O)OC;ZTKPGAWFLAXHJO-UHFFFAOYSA-N;138.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330818;MM330818;CNC1(C)COC(C)=C1C;KCVGRDPVJOLRBX-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330819;MM330819;C#CC(C#C)CC(=C)C=C;QFSSJEMOIROAQX-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330820;MM330820;C=CC1(C)CCC(C)=C1C;IKBMZYRRHMXKDT-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330821;MM330821;C#CC(C#C)CC(=C)C=O;YJSLVGHSKABYMH-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330822;MM330822;CC1=C(C)C(C)(C#N)CC1;QYFNFFNEORQBTK-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330823;MM330823;C#CC(C#C)CC(=C)C#N;IYQUBLNGCCOMDZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330824;MM330824;C=CC1(N)CCC(C)=C1C;UKWAJTZZXNGZKN-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330825;MM330825;C#CC(C#C)CC(=O)C=C;YOCQXXQEDSJYGD-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330826;MM330826;CC1=C(C)C(C)(C#N)CO1;DUJJMJKXASFZPX-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330827;MM330827;C#CC(C#C)CC(=O)C=O;XRJRTWTZJIWPGE-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330828;MM330828;C=CC1(C)NCC(C)=C1C;MDLDEZZVKAHCJW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330829;MM330829;C#CC(C#C)CC(=O)C#N;KNSPVHTZUJDBOQ-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330830;MM330830;C#CC1(C)CCC(C)=C1C;CRJYJIPIGHRBJA-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330831;MM330831;CCNc1ccc(CF)[nH]1;ZDOVAZVBBZWQAC-UHFFFAOYSA-N;142.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330832;MM330832;C#CC1(N)CCC(C)=C1C;OTNRZYJHNGOCHF-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330833;MM330833;CCC12C=C(CO)C(C1)C2;LXZZQDBVIYBBCQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330834;MM330834;C#CC1(C)COC(C)=C1C;SIZWNYPOPNYANP-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330835;MM330835;C#CC(C#C)NC(=O)C=C;CLOPSYGCXZRLSC-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330836;MM330836;C#CC1(C)NCC(C)=C1C;GMRQZXFWFLRBBL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330837;MM330837;C#CC(C#C)OC(=C)C=C;VIZKZBOMEWKJDJ-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330838;MM330838;CCC1(N)C=CC(C)=C1C;QYXSNYCEWFKXCU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330839;MM330839;C#CC(C#C)OC(=C)C=O;AKLIZLOHEYKPJN-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330840;MM330840;C=CC1(C)C=CC(C)=C1C;UTFLVFSLHWBGJQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330841;MM330841;C#CC(C#C)OC(=O)C=C;VRXIYPQYEPZLOV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330842;MM330842;CC1=C(C)C(C)(C#N)C=C1;WQMZDKQLNHFCMR-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330843;MM330843;C#CC(=C)CC(C#C)C#C;RFKZQCPTDQWQTO-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330844;MM330844;C=CC1(N)C=CC(C)=C1C;KYKSFHRUQBTRLY-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330845;MM330845;C#CC(=O)CC(C#C)C#C;VVHOJYJRLHWDCC-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330846;MM330846;C#CC(=O)OC(C#C)C#C;YFKYDSNRISINSF-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330847;MM330847;C=CC=C(C)CCCCO;RSVYPSVNTABDSP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330848;MM330848;CC=C(C)CC(CC)CC;COBOYJLRAODBFR-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330849;MM330849;C#CC1(C)C=CC(C)=C1C;LQNLDVKNBNXRHP-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330850;MM330850;CCC(CC)CC(C)=CF;VRDYHKCHUSWOSY-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330851;MM330851;C#CC1(C)C=CC(F)=C1C;HUBWFHLNFYFCEG-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330852;MM330852;CC=C(C)CC(CC)CN;LIPNMPJDOJXCOM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330853;MM330853;C#CC1(O)C=CC(C)=C1C;CQUSHSGCAOHZNM-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330854;MM330854;CCC(CN)CC(C)=CF;PYHCXBHMLQBNSQ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330855;MM330855;CCC1CCC(C)(CC)C1;AJKWUSIQWCDRIE-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330856;MM330856;OCC1=CC2(CO)CC1C2;DOBRCFZYYQWLQX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330857;MM330857;CCC1(C)CCC(CN)C1;YUPLPVVBXBOXRS-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330858;MM330858;OCC1=CC2(CF)CC1C2;VEYTWMJMSMCKLP-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330859;MM330859;CC(=CC#N)CCCCO;ISXNENPWBYPXQY-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330860;MM330860;CC=C(C)CC(CC)CF;LVPTWFJDQYJGOG-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330861;MM330861;CCC1(C)CCC(CF)C1;QCBRQHRUMWWDRL-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330862;MM330862;CC(=CF)CC(CN)CN;QPVLTBVGXKYXTP-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330863;MM330863;CCC1CCC(C)(CN)C1;JIOJZPVXBMATJY-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330864;MM330864;CC(=CF)CC(CN)CF;VIGOZKOWIZCHIC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330865;MM330865;CC1(CN)CCC(CN)C1;GEJFAKWNPYNIRU-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330866;MM330866;CC(=CF)CC(CO)CF;IATZSATYCVFIIN-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330867;MM330867;CC1(CN)CCC(CO)C1;ZWBSUPFRNWPUKA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330868;MM330868;CC=C(C)CC(CF)CF;RXYKULUFOMNTIR-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330869;MM330869;CC1(CN)CCC(CF)C1;PTDHWZPHHXNFRY-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330870;MM330870;CC(=CF)CC(CF)CF;DMJMGCODLNXWFB-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330871;MM330871;C=CC=C(F)CCCCO;NAQPCBFMOYIGLY-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330872;MM330872;CC=C(F)CC(CC)CC;BCAIJMKRGPMPKR-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330873;MM330873;CC1(CO)CCC(CN)C1;KVCGWTZQLHSRKO-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330874;MM330874;CCC(CC)CC(F)=CF;RDOXGWJBUFVLNE-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330875;MM330875;N#CC=C(F)CCCCO;PYASKSXAWLQWEC-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330876;MM330876;CC=C(F)CC(CC)CN;LYTIKBJCACAIGN-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330877;MM330877;C=NN=C(C)CCCCO;JRSMZBYYHQHHMV-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330878;MM330878;CCC(CN)CC(F)=CF;FHLOQXVAOPKQDR-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330879;MM330879;CC1(CF)CCC(CN)C1;GNDKPERRGNKXBM-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330880;MM330880;CC=C(F)CC(CC)CO;LDVKJIJOJGXQCE-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330881;MM330881;C#CC=C(C)CCCCO;MHNSQHHQMVFUBQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330882;MM330882;CCC(CO)CC(F)=CF;QDMFNMWDFDLAJV-UHFFFAOYSA-N;150.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330883;MM330883;CC1(CF)CCC(CF)C1;NVZXNDNROHHIEC-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330884;MM330884;CC=C(F)CC(CC)CF;XTWQEXLGUKONFL-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330885;MM330885;CCC1CCC(N)(CC)C1;VAPCNCCBNGOMOY-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330886;MM330886;NCC(CN)CC(F)=CF;UINHTPNSLKWFCW-UHFFFAOYSA-N;150.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330887;MM330887;CCC1(N)CCC(CN)C1;CMIZORRJHZMJFR-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330888;MM330888;CCC1(N)CCC(CO)C1;NFSBYMRSPSXMTB-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330889;MM330889;CC=C(F)CC(CN)CF;UIVXSGQYWNZRQT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330890;MM330890;CCC1(N)CCC(CF)C1;PVYCWUUCPYYFML-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330891;MM330891;NCC(CF)CC(F)=CF;DUGLORIJPLRZEW-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330892;MM330892;CCC1CCC(N)(CN)C1;QWBOLBXPANEODI-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330893;MM330893;CC=C(F)CC(CO)CO;SGAQVDLYJYXNSC-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330894;MM330894;NCC1CCC(N)(CN)C1;PKKYOGOAQXYVGS-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330895;MM330895;CC=C(F)CC(CF)CF;PVNATAKUEXYTJL-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330896;MM330896;NCC1(N)CCC(CO)C1;DZDIGNDMYATVLE-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330897;MM330897;FC=C(F)CC(CF)CF;JZVUEWNJGPGRMF-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330898;MM330898;NCC1(N)CCC(CF)C1;ILSFHRGIJHCMMC-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330899;MM330899;CCC(CC)CC(C)=NN;VVLLSESDWMPHFI-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330900;MM330900;CCC1CCC(N)(CO)C1;GSCFOPLJNQLGAJ-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330901;MM330901;C=C1C(C=O)CNC1C#N;JBXXXFFVBJDAED-UHFFFAOYSA-N;136.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330902;MM330902;NCC1CCC(N)(CO)C1;QUXHBYCCCIXXAE-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330903;MM330903;CCC(CN)CC(C)=NO;VIPJMEHRTVSTBX-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330904;MM330904;NC1(CO)CCC(CO)C1;LCHKVMVTZGYMHT-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330905;MM330905;C=NN(C=N)C1CC1C=O;RKIFNOCLISCZNH-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330906;MM330906;NC1(CO)CCC(CF)C1;GLHQOMMLMFYLGN-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330907;MM330907;CCC(CO)CC(C)=NO;LFAGHRGWTHZSMB-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330908;MM330908;NCC1CCC(N)(CF)C1;DCSPFJBCZXWNAG-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330909;MM330909;CCC(CF)CC(C)=NN;DSIWMVOZWBEXIP-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330910;MM330910;C#CC=C(F)CCCCO;XWKWGDMDYFXYNQ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330911;MM330911;CCC(CF)CC(C)=NO;GKMWHKQCZFRZFH-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330912;MM330912;CCC1(O)CCC(CN)C1;BNGOGFVXMNNXQL-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330913;MM330913;C=NN1C(C)C1C(=O)C#N;IRMJTFFNKLYAEX-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330914;MM330914;CCC1(O)CCC(CO)C1;ZKPPHFYVBYLBPS-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330915;MM330915;CC(CC(CO)CO)=NO;XCKQILJACSMMIP-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330916;MM330916;CCC1CCC(O)(CN)C1;IYEBRECQHXQCNB-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330917;MM330917;CC(CC(CO)CF)=NO;VSXMJZRBTSCMFH-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330918;MM330918;NCC1CCC(O)(CN)C1;AYUJVSPMDVTWCY-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330919;MM330919;CC(CC(CF)CF)=NN;DYLMRPRPASRLNP-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330920;MM330920;NCC1(O)CCC(CO)C1;IQVOVQKOQNFTLI-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330921;MM330921;CCC(CC(C)=CF)NC;YTFBALUMHBFMCN-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330922;MM330922;CCC1CCC(O)(CO)C1;NCLVRBRIFSGVSF-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330923;MM330923;CC=C(C)CC(CN)NC;AZZSIJKAMKKDOM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330924;MM330924;NCC1CCC(O)(CO)C1;NKEPZIZKRACODT-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330925;MM330925;CNC(CN)CC(C)=CF;NPYFWDARKGOQCT-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330926;MM330926;OC1(CF)CCC(CF)C1;JOTPQZYAXXAFDB-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330927;MM330927;CC=C(C)CC(CF)NC;SHOPOQWYBFUDBK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330928;MM330928;CCC1CCC(F)(CC)C1;CYYDSWXCFLUSML-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330929;MM330929;CNC(CF)CC(C)=CF;YSFHPDOFUBEZMB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330930;MM330930;CCC1(F)CCC(CN)C1;HUACFEZCGQRCTB-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330931;MM330931;CC=C(F)CC(CC)NC;BBAORYMUJAJZTF-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330932;MM330932;CCC1(F)CCC(CO)C1;YWSHAUPKMZHWDM-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330933;MM330933;CCC(CC(F)=CF)NC;WFYMYUPBOJINFH-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330934;MM330934;CCC1(F)CCC(CF)C1;LMSRIQPWCYIIQS-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330935;MM330935;CNC(CN)CC(F)=CF;QTXMFGNYFLZAGM-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330936;MM330936;CCC1CCC(F)(CN)C1;WHRSQISNTFAQJV-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330937;MM330937;CC=C(F)CC(CF)NC;SSOYVAZBNBIRGA-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330938;MM330938;NCC1CCC(F)(CN)C1;ZESCFYCZEVDBKO-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330939;MM330939;CNC(CF)CC(F)=CF;PAWICOSDZJOQQX-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330940;MM330940;NCC1CCC(F)(CO)C1;WJVJZLYPPPEBJI-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330941;MM330941;CCC(CC(C)=NO)NC;NYTCXSUHCWVGJB-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330942;MM330942;CNC(CN)CC(C)=NO;TXEBXCBJXHDJNF-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330943;MM330943;OCC1CCC(F)(CO)C1;YCWFSDBTNNZVIG-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330944;MM330944;OCC1(F)CCC(CF)C1;XAFGRZIHBWWEBK-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330945;MM330945;CNC(CO)CC(C)=NO;CFKAAJPZOVFKOT-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330946;MM330946;CCC1(C)CCC(NC)C1;XAOHFVMTJXPBNO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330947;MM330947;CNC(CF)CC(C)=NN;HLZHJLCTFFEJNX-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330948;MM330948;CNC1CCC(C)(CN)C1;XIQUITWTRBPKDM-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330949;MM330949;CNC(CF)CC(C)=NO;YQAGBCPHBJUFLV-UHFFFAOYSA-N;148.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330950;MM330950;CNC1CCC(C)(CO)C1;UHAABUXYQRVLCD-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330951;MM330951;CC=C(C)CC(CC)OC;UROYGEFOYVBVNX-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330952;MM330952;CCC1(N)CCC(NC)C1;KWEZSRZILJLCHD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330953;MM330953;CC=C(C)CC(CN)OC;PPYJPPRQCKEQNR-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330954;MM330954;CNC1CCC(N)(CN)C1;LUYQDYSHMNJLQC-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330955;MM330955;CC=C(F)CC(CC)OC;WBJMDAFHNRGCDW-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330956;MM330956;CNC1CCC(N)(CO)C1;KCXPTSOTPGMATR-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330957;MM330957;COC(CO)CC(F)=CF;DKKJNYNWPJIZLJ-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330958;MM330958;CCC1(O)CCC(NC)C1;DNOOBYUZEVLNEU-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330959;MM330959;CNN=CC(F)F;FSQRTSUTALRUGW-UHFFFAOYSA-N;108.09;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330960;MM330960;CNC1CCC(O)(CN)C1;KVHLDYMUNPWKOO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330961;MM330961;COC(CO)CC(C)=NO;OEVMNZMGGVKQFU-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330962;MM330962;CCC1(F)CCC(NC)C1;UTQYKNUINKTDPL-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330963;MM330963;COC(CF)CC(C)=NO;GJNNUJKXGXDOMG-UHFFFAOYSA-N;149.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330964;MM330964;CNC1CCC(F)(CO)C1;IEOSZZWXAGTHIH-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330965;MM330965;CC=C(C)CC(OC)OC;XNJQNNHEVDPKHK-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330966;MM330966;CCC1(C)CCC(OC)C1;WFLZMWZCJNNZCL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330967;MM330967;COC(CC(C)=CF)OC;RUHNPBJCYOYRTN-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330968;MM330968;COC1CCC(C)(CN)C1;JYFVTECFXLPQJM-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330969;MM330969;CC=C(F)CC(OC)OC;ZKIGWRRWICLKQX-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330970;MM330970;COC1CCC(C)(CO)C1;NZMTYUKYYLQDMN-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330971;MM330971;COC(CC(F)=CF)OC;SUDOPFHFCYNKRT-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330972;MM330972;CCC1(N)CCC(OC)C1;TZGQSIXGEVUQAA-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330973;MM330973;COC(CC(C)=NN)OC;RZPGAUILHPIFEA-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330974;MM330974;COC1CCC(N)(CN)C1;LHYVOWPRYDMVGM-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330975;MM330975;CCC(CC)N=C(C)NC;VDFHXCILUMIXQQ-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330976;MM330976;COC1CCC(N)(CO)C1;RTETUBOBSDVBNA-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330977;MM330977;CCC(CC)N=C(C)NN;FUADXGRFGPPKFK-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330978;MM330978;CCC1(O)CCC(OC)C1;USJKGUYIEZLSNY-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330979;MM330979;CCC(CC)N=C(C)NO;SOBPCFYILXFOQH-UHFFFAOYSA-N;144.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330980;MM330980;COC1CCC(O)(CN)C1;APAREAWWEUPOJB-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330981;MM330981;CCC(CF)N=C(C)NC;ACJYIMGXBYNTBL-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330982;MM330982;COC1CCC(O)(CO)C1;MQMBPNRWNIFVLS-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330983;MM330983;CN=C(C)NC(CN)CO;MJAVILWOEZEODO-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330984;MM330984;CCC1(F)CCC(OC)C1;RWRRMLLXYJWFLM-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330985;MM330985;CN=C(C)NC(CO)CO;LJJKEXAYXWCKIC-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330986;MM330986;COC1CCC(F)(CN)C1;IRUUEQCVJAITIK-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330987;MM330987;C=C1CC=CC1O;PTGNXRQNKTUOGY-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330988;MM330988;CC=C(C)OC(CC)CC;WJJVQAVMCOOWLI-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330989;MM330989;COC1CCC(F)(CO)C1;ZDTYFCUOMPXBHI-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330990;MM330990;CCC(CN)OC(C)=CF;JBCADZHQEZSHFE-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330991;MM330991;CCC1CCC(C)(NC)C1;LADZQUUVGBKQED-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330992;MM330992;CCC(CO)OC(C)=CF;CYOWCTPKHIOAIB-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330993;MM330993;CNC1(C)CCC(CN)C1;OKYXSQFVTOLVEV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330994;MM330994;CC(C)C=CC(N)=O;MXEMAOPYTXHVEM-UHFFFAOYSA-N;113.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330995;MM330995;CNC1(C)CCC(CO)C1;GATKWMJFIDDDLU-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330996;MM330996;CCC(CC)OC(C)=NO;ZKINBRSEJSMVIQ-UHFFFAOYSA-N;145.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330997;MM330997;CNC1(C)CCC(CF)C1;WVZNGQNEGZEUHS-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330998;MM330998;CCC(CF)OC(C)=NO;CZALXVDFKZBIRK-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM330999;MM330999;CNC1CCC(C)(NC)C1;FYKNAASIRPXVOM-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331000;MM331000;CC(=NO)OC(CN)CN;LLELEZDSGVJSAZ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331001;MM331001;COC1(C)CCC(CN)C1;ZJYANIBYJBFGKY-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331002;MM331002;CC(=NO)OC(CN)CO;FIUJYWORMFMIKK-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331003;MM331003;CNC1CCC(C)(OC)C1;CXJAMLWDCMYGAY-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331004;MM331004;CCNN=CC(F)F;DYRLERYNECQUDJ-UHFFFAOYSA-N;122.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331005;MM331005;COC1CCC(C)(OC)C1;KTQHRIFGDPQUFO-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331006;MM331006;CC=C(C)OC(CN)OC;MRFRMYGSBAEGJX-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331007;MM331007;CCC1CC(C)(CC)CN1;NMCOVRSLVQELBY-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331008;MM331008;CC=C(C)OC(CO)OC;YJEKVPXQOSIKBK-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331009;MM331009;CCC1(C)CNC(CN)C1;VPXISXQIUFVKSH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331010;MM331010;COC(CO)OC(C)=CF;NHMLAMVCWMEPJO-UHFFFAOYSA-N;150.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331011;MM331011;CCC1(C)CNC(CO)C1;OSCAJJQLJJWPOJ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331012;MM331012;COC(CF)OC(C)=CF;IXYHWYFEHQSSRZ-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331013;MM331013;CCC1(C)CNC(CF)C1;AUUAALQEVBRRQZ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331014;MM331014;CCC(OC)OC(C)=NO;XRDLHMUZPRCKOE-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331015;MM331015;CCC1CC(C)(CN)CN1;DOIQMTAXLGAIFV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331016;MM331016;COC(CN)OC(C)=NO;VWOPOEJGULLYJZ-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331017;MM331017;CC1(CN)CNC(CN)C1;VEQFMYFHBVTANH-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331018;MM331018;CCCC=CC(N)=O;BZEUYEFVVDTLOD-UHFFFAOYSA-N;113.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331019;MM331019;CC1(CN)CNC(CO)C1;LDEGMUVUNZJXSV-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331020;MM331020;CC=C(C)CN(CC)CC;KVSBDGIHGLOIOT-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331021;MM331021;CC1(CN)CNC(CF)C1;ZCBPJZRSNRYZRN-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331022;MM331022;C=CC(CC)CC(C)=CC;QVGZGRQQRYHCQS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331023;MM331023;CCC1CC(C)(CO)CN1;OLFQKNAVQNVULX-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331024;MM331024;C=CC(CC)CC(C)=CF;LAQGEEAAHXLQDX-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331025;MM331025;CC1(CO)CNC(CN)C1;WTCFGLRPNRNSOE-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331026;MM331026;CC=C(C)CC(C=O)CC;RHSHSIRJEXXPDA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331027;MM331027;CC1(CO)CNC(CO)C1;GZTQTJGLOVDQGR-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331028;MM331028;CC=C(C)CC(C#N)CC;LCZZRJVAEFZABS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331029;MM331029;CCC1CC(C)(CF)CN1;YAXQBUOYKBTINS-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331030;MM331030;CCC(C=O)CC(C)=CF;YQMFVCMXWGNXTE-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331031;MM331031;CC1(CF)CNC(CN)C1;NYMGYOWJRTZACJ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331032;MM331032;CCC(C#N)CC(C)=CF;FZZRMZRJPMOUEB-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331033;MM331033;CC1(CF)CNC(CO)C1;AQRNRRHRKABCFG-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331034;MM331034;C=CC(CN)CC(C)=CF;QARUHMPMZHYJIR-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331035;MM331035;CC1(CF)CNC(CF)C1;XEKNYFBIAPGEMF-UHFFFAOYSA-N;149.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331036;MM331036;C=C(CCO)C(C)(C)C;HHWDZZAVIGGVTD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331037;MM331037;CCC1CC(N)(CC)CN1;QFKVJXBQIWBVQQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331038;MM331038;CCCNN=CC(F)F;AFRWWIOFVKFRDG-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331039;MM331039;CCC1(N)CNC(CN)C1;FTGVZTPWVMRNOX-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331040;MM331040;C=CC(CF)CC(C)=CC;RYXUVRYWOWPZBI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331041;MM331041;CCC1(N)CNC(CF)C1;SNHOLFUXOYTEQI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331042;MM331042;C=CC(CF)CC(C)=CF;BYKGNHUUFWDXOC-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331043;MM331043;CCC1CC(N)(CN)CN1;SNVBRFLQXUSDEK-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331044;MM331044;CC=C(C)CC(C=O)CF;MGMLOURZEWSBRE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331045;MM331045;NCC1CC(N)(CN)CN1;DBOWZGBYMGIGON-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331046;MM331046;CC(=CF)CC(C=O)CF;UUDPQMCMITUBSG-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331047;MM331047;NCC1(N)CNC(CO)C1;BREDDOPHZFNPPO-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331048;MM331048;CC(=CF)CC(C#N)CF;VLZZWUNAIVJGFB-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331049;MM331049;CCC1CC(N)(CO)CN1;CJAVQDSNGYAJAA-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331050;MM331050;C=CC(CC)CC(F)=CC;UCFNJIDYADZOKT-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331051;MM331051;NCC1CC(N)(CO)CN1;WQVTWLLJDWRWOG-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331052;MM331052;CC=C(F)CC(C=O)CC;GWJYNEAHYLBQOY-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331053;MM331053;NC1(CO)CNC(CO)C1;PGQAUTDQIFTEOG-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331054;MM331054;CC=C(F)CC(C#N)CC;QRMHWICIEATIHP-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331055;MM331055;CCC1CC(N)(CF)CN1;RCXPPYWGDOABHK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331056;MM331056;C=CC(CN)CC(F)=CC;ISSBHERZXSWVSU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331057;MM331057;C=CC(CN)CC(F)=CF;XLKRRFLDGOZAQG-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331058;MM331058;NCC1CC(N)(CF)CN1;MXEZVUKLOHLWRI-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331059;MM331059;C=CC(CO)CC(F)=CC;BOIONILIOQTKBA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331060;MM331060;CCC1CC(O)(CC)CN1;LYZSLMZWZCQCGR-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331061;MM331061;C=CC(CO)CC(F)=CF;DRZKCIJODYLERX-UHFFFAOYSA-N;148.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331062;MM331062;CCC1(O)CNC(CN)C1;PUFZQGLKVDPDBK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331063;MM331063;CC=C(F)CC(C#N)CO;QEMIHLXGRXIBQT-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331064;MM331064;CCC1(O)CNC(CO)C1;MUCIZAFUEZGQGF-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331065;MM331065;N#CC(CO)CC(F)=CF;VNUODUVMULBZCH-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331066;MM331066;CCC1CC(O)(CN)CN1;TXRXBDSNQBOZSO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331067;MM331067;C=CC(CF)CC(F)=CC;VKJZRVVZRSNMQG-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331068;MM331068;NCC1CC(O)(CN)CN1;WCJPGNRLFMFKCX-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331069;MM331069;CC=C(F)CC(C=O)CF;UVDROGNFKOFVSC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331070;MM331070;NCC1(O)CNC(CO)C1;VBPBJUZOSUQAPX-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331071;MM331071;O=CC(CF)CC(F)=CF;GWKPFXGWNSDZOH-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331072;MM331072;NCC1(O)CNC(CF)C1;HRUBRAXJMFLGEP-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331073;MM331073;C=CC(CC)CC(C)=NN;WJTHOAQLTXJDDD-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331074;MM331074;CCC1CC(O)(CO)CN1;NKMRRYZVRNKAQE-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331075;MM331075;C=CC(CC)CC(C)=NO;SQLHJIJOIXOKQO-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331076;MM331076;NCC1CC(O)(CO)CN1;KSSNHOVEZDPTLG-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331077;MM331077;CCC(C=O)CC(C)=NO;BEGAOWTVGWUZDG-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331078;MM331078;OCC1CC(O)(CO)CN1;GPRIBTLLNJEDFE-UHFFFAOYSA-N;147.17;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331079;MM331079;CC(CC(C=O)CO)=NO;SDVNPJXYVCESSV-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331080;MM331080;NCC1CC(O)(CF)CN1;MABYHSKYGYMERD-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331081;MM331081;C=CC(CF)CC(C)=NN;DHFNTUAHDCOSQF-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331082;MM331082;C=CC(CF)CC(C)=NO;DLYPNAWCOIIYFF-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331083;MM331083;CCC1CC(F)(CC)CN1;VHDXZGZSTQACTA-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331084;MM331084;C=CC(CC(F)=CF)NC;NKGPTWGPPMDNCT-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331085;MM331085;CCC1(F)CNC(CN)C1;NEIATQFZJCTWEI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331086;MM331086;CNC(C#N)CC(F)=CF;LJWKGZPBZVTZAH-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331087;MM331087;CCC1CC(F)(CN)CN1;YHNOWEZHMWFQIA-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331088;MM331088;C=CC(CC(C)=CF)OC;DKMTUBSLZGSCLV-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331089;MM331089;NCC1CC(F)(CN)CN1;JSWKRIPZRBXBIN-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331090;MM331090;CC=C(C)CC(C#N)OC;JEESYCRDANLAQS-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331091;MM331091;CCC1CC(F)(CO)CN1;MRSVQZBYHCVEBX-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331092;MM331092;COC(C#N)CC(C)=CF;INGROEAWLISKBP-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331093;MM331093;NCC1CC(F)(CO)CN1;DXVVWEUBWMBUOO-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331094;MM331094;C=CC(CC(F)=CC)OC;JFKNLFDHYWDHKY-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331095;MM331095;OCC1CC(F)(CO)CN1;WVSWEMPTWCQLLA-UHFFFAOYSA-N;149.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331096;MM331096;C=CC(CC(F)=CF)OC;DWHYTFHHACHXFU-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331097;MM331097;CCC1CC(C)(NC)CN1;KYCNZKUFXUAKMO-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331098;MM331098;CC=C(F)CC(C#N)OC;MXDZEFOWFCYVQS-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331099;MM331099;CNC1(C)CNC(CN)C1;DKXGSBSEBQTRIO-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331100;MM331100;COC(C=O)CC(F)=CF;DWLMQODSRQBRCK-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331101;MM331101;CNC1(C)CNC(CO)C1;MVQICCNFKDCOSA-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331102;MM331102;COC(C#N)CC(F)=CF;FAXJUWMWTKCYMO-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331103;MM331103;CCC1CC(C)(OC)CN1;LIPBULCNDPRVQO-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331104;MM331104;C=CC(CC(C)=NN)OC;ADWXKTOFTYEHMR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331105;MM331105;COC1(C)CNC(CN)C1;JQJOHXBTRKQSKB-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331106;MM331106;C=CC(CC(C)=NO)OC;BXJIUPBRKBULRV-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331107;MM331107;COC1(C)CNC(CO)C1;JIBVSEYZYAYABY-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331108;MM331108;C=CC(CC)N=C(C)NC;ZECNFHOHKFJMCL-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331109;MM331109;C=CC(CC)N=C(C)NN;PKHAMLUILOOTJK-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331110;MM331110;CCC1CC(C)(CC)CO1;CUFQNTXUNAOLPF-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331111;MM331111;CN=C(C)NC(C=O)CO;WMIOWSHPQNDJHX-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331112;MM331112;CCC1(C)COC(CN)C1;WRPYBNSOULWHAX-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331113;MM331113;CN=C(C)NC(C#N)CO;VNFSABOISNZHLD-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331114;MM331114;CCC1(C)COC(CO)C1;IHFYYOSXRVOZPC-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331115;MM331115;CCC1CC(C)(CN)CO1;BHNXBIMQLQTYJC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331116;MM331116;C=CC(CF)NC(C)=NC;DJWAPGQJSXZLNR-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331117;MM331117;CC1(CN)COC(CN)C1;CITDSTIJEQRPHK-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331118;MM331118;FCCNN=CC(F)F;JRDDFHVILWZMSP-UHFFFAOYSA-N;140.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331119;MM331119;CC1(CN)COC(CO)C1;FFAOJRXULHRTCU-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331120;MM331120;C=CC(CC)OC(C)=CC;MMNMZRKHRJWNHK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331121;MM331121;CC1(CO)COC(CN)C1;QOORFBUOEYWOGW-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331122;MM331122;C=CC(CC)OC(C)=CF;ZUDNXSJFMRHZFJ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331123;MM331123;CCC1CC(N)(CC)CO1;LQDGMLPDTPFJJD-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331124;MM331124;CC=C(C)OC(C=O)CC;WWUPWANEKKKCHM-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331125;MM331125;CCC1(N)COC(CN)C1;LEAXGMSCAQCBJS-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331126;MM331126;CC=C(C)OC(C#N)CC;DNNBKODZTGJJIB-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331127;MM331127;NCC1CC(N)(CN)CO1;XVCDIBACJSXIDP-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331128;MM331128;CCC(C=O)OC(C)=CF;ZHNFGCQQLCYKED-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331129;MM331129;NCC1(N)COC(CF)C1;OGQXMKZMGZEVOU-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331130;MM331130;CCC(C#N)OC(C)=CF;MPSNPANAVWHESP-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331131;MM331131;C=CC(CN)OC(C)=CC;JOLGIWHXJVEDFA-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331132;MM331132;NCC1CC(N)(CO)CO1;VZHMRXGQISXOKU-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331133;MM331133;CCC1CC(N)(CF)CO1;DCCCJGJIYHIXKZ-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331134;MM331134;CC=C(C)OC(C#N)CO;DDHBACDJOWNFCO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331135;MM331135;CCC1CC(O)(CN)CO1;KTGNOFWYXYDPTN-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331136;MM331136;CC=C(C)OC(C#N)CF;RIJWTADIBAJNSC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331137;MM331137;NCC1CC(O)(CN)CO1;CMRZNEJEFRDUDK-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331138;MM331138;CC(=CF)OC(C#N)CF;KEUOZRGMIUHIEX-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331139;MM331139;NCC1(O)COC(CO)C1;ONMVRYFYQIRORW-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331140;MM331140;CC=NNC(N)=CC#N;WCGBAMFWDPCWQO-UHFFFAOYSA-N;124.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331141;MM331141;CC(=NO)OC(C=O)CO;KFNMHQZCUHFPOY-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331142;MM331142;CCC1CC(O)(CO)CO1;NGORZPXDMWVJCW-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331143;MM331143;CC(=NO)OC(C#N)CO;OIHZVPBEJSMKFH-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331144;MM331144;NCC1CC(O)(CO)CO1;SJNWMXNZUNWFMJ-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331145;MM331145;CC(=NO)OC(C#N)CF;YVYDASQACOPWHD-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331146;MM331146;NCC1CC(O)(CF)CO1;OWVOINZYGARCIR-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331147;MM331147;C=CC(OC)OC(C)=CF;ZYPOCWBADMJGGK-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331148;MM331148;CCC1CC(F)(CC)CO1;GCZIASAWTVNJIM-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331149;MM331149;C=CC(OC)OC(C)=NO;AZCYZQAAQMRJAE-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331150;MM331150;CCC1CC(F)(CN)CO1;GNCZCPMAQWAXLD-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331151;MM331151;CC=C(C)CN(C=O)CC;PIZCBUTWQIRXFH-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331152;MM331152;NCC1CC(F)(CN)CO1;QFNMVQDIDWUQDB-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331153;MM331153;CC=C(F)CN(C=O)CC;RGXLGZUKKLGZDN-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331154;MM331154;NCC1(F)COC(CF)C1;LLJLLLPNCRALLG-UHFFFAOYSA-N;151.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331155;MM331155;CCN(C=O)CC(F)=CF;OQLUMKJYBDGTKZ-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331156;MM331156;NCC1CC(F)(CO)CO1;JQLVPAZAWJJXME-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331157;MM331157;CCN(C=N)CC(C)=NN;MBTDESIOOMCTMJ-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331158;MM331158;CCC1CC(C)(NC)CO1;WHUWOGMSDVONBG-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331159;MM331159;CCN(C=N)CC(C)=NO;ROBNPTJNPNNUGE-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331160;MM331160;CNC1(C)COC(CN)C1;ADEUAWKXTNZGOL-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331161;MM331161;CCN(C=O)CC(C)=NO;WJZGJBKPPPNSMY-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331162;MM331162;CCC1CC(C)(OC)CO1;DGDNZJBWKARQSJ-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331163;MM331163;C=NN(CC)CC(C)=CC;SRMXXEBDGSWCNH-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331164;MM331164;CCC1CNC(C)(CC)C1;JZTKZQSJSJZLAE-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331165;MM331165;C=NN(CC)CC(C)=CF;IJOKTLBWKIWIDS-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331166;MM331166;CCC1(C)CC(CN)CN1;QASMOIXUMVPBMA-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331167;MM331167;C=NN(CC)CC(F)=CC;PZFOLEHDWHJCKI-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331168;MM331168;C=NN(CC)CC(F)=CF;MAYJXENFOFOIPV-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331169;MM331169;CCC1(C)CC(CO)CN1;QWMXDJMCECQEDZ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331170;MM331170;CNN(C=N)CC(C)=CF;BWRPUWMBIJOCED-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331171;MM331171;CCC1(C)CC(CF)CN1;LINHDZBGMHDGLI-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331172;MM331172;CNN(C=N)CC(F)=CF;KSUIWRVNLPQRRA-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331173;MM331173;CCC1CNC(C)(CN)C1;WGNQNAAUZOFQOB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331174;MM331174;CC=C(F)CN(C=O)NC;QQPWWQLRIHFJBY-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331175;MM331175;CCC1CNC(C)(CO)C1;MJWHPQHOJVIWSI-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331176;MM331176;CNN(C=N)CC(C)=NN;NTIXSNAEDWFSKG-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331177;MM331177;CC1(CF)CC(CN)CN1;WRDKMCWIRXWRQO-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331178;MM331178;CNN(C=N)CC(C)=NO;PGHRGIFFCFRXOA-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331179;MM331179;CC1(CF)CC(CO)CN1;OPXHPZBVNXGVLB-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331180;MM331180;CNN(C=O)CC(C)=NN;ZVHJBPVHBWPRSU-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331181;MM331181;CCC1(C)CC(NC)CN1;CQBLDCFXDYCIQA-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331182;MM331182;CNN(C=O)CC(C)=NO;IDMYQLTUDDVMIX-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331183;MM331183;CNC1CNC(C)(CN)C1;UWJIBDCPHNPUPH-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331184;MM331184;CC=C(F)CN(C=O)OC;UPAJRFRKZWFLLX-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331185;MM331185;CCC1(C)CC(OC)CN1;ZGNKPTPPFZMWHO-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331186;MM331186;CON(C=O)CC(F)=CF;HWZUSRUVSSDDSW-UHFFFAOYSA-N;151.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331187;MM331187;COC1CNC(C)(CO)C1;YLAJHFVYSMCSJP-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331188;MM331188;CON(C=O)CC(C)=NO;NKOAJZSAKVVAOH-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331189;MM331189;COC1CNC(C)(CF)C1;MKBGLZXWYKOTSI-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331190;MM331190;CCN(C=N)NC(C)=NO;FVVSRIGUWSWUJR-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331191;MM331191;CCC1COC(C)(CC)C1;ONCWMCPYTRHUEL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331192;MM331192;C#CC1(C)CC1CCO;BXOWTKIZSRLSDS-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331193;MM331193;CCC1(C)CC(CN)CO1;WMPJHSDUMQQQTP-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331194;MM331194;C=C(CCO)C1(C)CC1;DSDMVUPDJDWOFR-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331195;MM331195;C#CC(CC)CC(C)=CC;JOJAMZTZCBYHTH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331196;MM331196;CCC1(C)CC(CO)CO1;KYXHQQRURNHUTO-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331197;MM331197;C#CC(CC)CC(C)=CF;ZETZBOMMZZPJTM-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331198;MM331198;CCC1COC(C)(CN)C1;SHRAWZBDLZOYKH-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331199;MM331199;C#CC(CF)CC(C)=CC;VDOVXOUBDBSRDA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331200;MM331200;CC1(CN)CC(CN)CO1;RHVYBPSTQVOGKU-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331201;MM331201;C#CC(CF)CC(C)=CF;JZCHRKNDCZDQQE-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331202;MM331202;CCC1COC(C)(CO)C1;HIJRLTUOHNWMQR-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331203;MM331203;C#CC(CC)CC(F)=CC;PUNQEQZFIRFJHH-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331204;MM331204;CC1(CF)CC(CN)CO1;MHWYVDIHZWURGA-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331205;MM331205;C#CC(CF)CC(F)=CC;UGSCHDUFLFLMHG-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331206;MM331206;CNC1COC(C)(CN)C1;AOCKVIAODWUINN-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331207;MM331207;C#CC(CF)CC(F)=CF;AUBVOLOYWCJFBO-UHFFFAOYSA-N;148.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331208;MM331208;COC1COC(C)(CN)C1;FQKMWRZHOYTBSK-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331209;MM331209;C#CC(CC)CC(C)=NN;IDUKIABXCJQRKE-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331210;MM331210;COC1COC(C)(CF)C1;MJGWEBUZSFLJRH-UHFFFAOYSA-N;148.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331211;MM331211;C#CC(CF)CC(C)=NN;NYJLMYPNCHWFOH-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331212;MM331212;COC1(C)CC(CN)CO1;YGCWRQPFDVTUQI-UHFFFAOYSA-N;145.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331213;MM331213;C#CC(CF)CC(C)=NO;PQIUMBMORHWHMC-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331214;MM331214;CCC1CCC(C)(CC)N1;CXMQKYXHTFIPHP-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331215;MM331215;C#CC(CC(C)=CC)NC;LECBEZHJDMGIPI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331216;MM331216;CCC1(C)CCC(CN)N1;GZRFBVMLNXREDJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331217;MM331217;C#CC(CC(C)=CF)NC;FMBRCWURNRMCIO-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331218;MM331218;CCC1(C)CCC(CO)N1;UWTGWXSOENTXDI-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331219;MM331219;C#CC(CC(F)=CC)NC;JQKJFZNIVXDSTO-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331220;MM331220;CC1(CN)CCC(CN)N1;FTDRZRLAEARSBC-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331221;MM331221;C#CC(CC(F)=CF)NC;IXOIHKGWQFPWTP-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331222;MM331222;C#CC(CC(C)=NO)NC;WZVAJKFMRSOXQI-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331223;MM331223;CC1(CN)CCC(CO)N1;JGSIQGWTBXRJPW-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331224;MM331224;C#CC(CC(F)=CF)OC;BPFKHNLHOXCMPS-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331225;MM331225;CC1(CO)CCC(CN)N1;PBZSRTDBHVNVPP-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331226;MM331226;C#CC(CC)N=C(C)NC;XGLOKFYZFIKCPH-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331227;MM331227;CC1(CO)CCC(CO)N1;SOVYYSUNDAOUQT-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331228;MM331228;C#CC(CCO)C(C)C;JOWOVILCSSMKBQ-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331229;MM331229;CC1(CF)CCC(CN)N1;ULWURAYKBNKLCT-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331230;MM331230;C#CC(CC)OC(C)=CC;RXLZKMBARYTWLW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331231;MM331231;CC1(CF)CCC(CF)N1;NPGPEYKFDJUDHO-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331232;MM331232;C#CC(CC)OC(C)=CF;IPYXTZBHROQLIR-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331233;MM331233;CCC1CCC(C)(CC)O1;OQPCAOAOYLVHLS-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331234;MM331234;C#CC(CN)OC(C)=CC;YJVLYSFQGQHNCS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331235;MM331235;CCC1(C)CCC(CN)O1;DVUGBMIYXKFNQP-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331236;MM331236;C#CC(CN)OC(C)=CF;NDNFHTBUPZUBIE-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331237;MM331237;CCC1CCC(C)(CN)O1;UDSLIFGPQDFSPG-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331238;MM331238;C#CC(CO)OC(C)=CC;PZPJIOCKNXXVHS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331239;MM331239;CC1(CN)CCC(CN)O1;COZDNNRCTXCDQZ-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331240;MM331240;C#CC(CF)OC(C)=CC;CBTXFGDIISPCOD-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331241;MM331241;CC1(CN)CCC(CO)O1;QNZXBMZGSRAYPE-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331242;MM331242;C#CC(CC)OC(C)=NO;PPUQVVMBDSSTOR-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331243;MM331243;CC1(CO)CCC(CO)O1;JCXNOHUFMFUBCF-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331244;MM331244;C=CC1(CC=O)NC1C;OEEPTUDZVSZCAW-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331245;MM331245;C#CC(CO)OC(C)=NO;JSYJFJYQGWLKFP-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331246;MM331246;CCC1(C)CCC(OC)O1;YNZPHGWHCUOBEX-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331247;MM331247;COC1CCC(C)(CN)O1;QNSLUSCWFJVFLY-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331248;MM331248;C#CC(OC)OC(C)=CC;JHTNCIBUKBVEHG-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331249;MM331249;COC1CCC(C)(CO)O1;XEYWYZQCBFDSOU-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331250;MM331250;C#CC(OC)OC(C)=CF;GCQFVQHRWCLZOZ-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331251;MM331251;CCC1CCC(C)(OC)O1;KMDUWQIVGRUTBU-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331252;MM331252;C=CC(C=C)CC(C)=CC;QIKQDWIWLRLFOP-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331253;MM331253;CCC1OCC(C)(CC)O1;PEABBUNEHQEUSE-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331254;MM331254;C=CC(C=C)CC(C)=CF;ZQYVHUXYRJYNIP-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331255;MM331255;CCC1(C)COC(CN)O1;IQSXXKBQEBINBB-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331256;MM331256;C=CC(C=O)CC(C)=CC;ZIUJZRZMWKUZKA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331257;MM331257;CC1(CN)COC(CN)O1;BQLJZGCWLISUIG-UHFFFAOYSA-N;146.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331258;MM331258;C=CC(C#N)CC(C)=CC;HJTKLCMFGQYVJY-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331259;MM331259;CCC1COC(C)(CN)O1;PZSTYWBWZJPZSE-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331260;MM331260;C=CC(C=O)CC(C)=CF;FNYKPICYBFZLON-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331261;MM331261;COC1COC(C)(CN)O1;YPBCMJBCURJODE-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331262;MM331262;CC=C(C)CC(C#N)C#N;MWORFTAIJAUPJH-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331263;MM331263;CCN1CCC(C)(CC)C1;FEDBLKHEMCEVLB-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331264;MM331264;CC(=CF)CC(C=O)C=O;VOHAFZWQXQHCHM-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331265;MM331265;CCN1CCC(C)(CN)C1;WFMGMFXEJNLOLY-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331266;MM331266;CC(=CF)CC(C#N)C#N;IGULYMONIRHSHE-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331267;MM331267;CCN1CCC(C)(CF)C1;OCDOSXFIVSDPBL-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331268;MM331268;C=CC(C=C)CC(F)=CC;BKJWOFHFAVAAEL-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331269;MM331269;CCN1CCC(N)(CC)C1;YZYWWYDRVWZFOX-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331270;MM331270;C=CC(C=C)CC(F)=CF;PLPVXCWPBFANON-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331271;MM331271;CCN1CCC(N)(CN)C1;ZOZRJLJDTBUBCY-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331272;MM331272;C=CC(C=O)CC(F)=CC;AYWXQBZEUSOIJS-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331273;MM331273;CCN1CCC(N)(CO)C1;JFZCBKGLGVPQMY-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331274;MM331274;C=CC(C#N)CC(F)=CC;CMJBSOFTYFMCCC-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331275;MM331275;CCN1CCC(O)(CC)C1;YJXOLWHRAIMNFC-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331276;MM331276;C=CC(C=O)CC(F)=CF;YLCMUDHGWAAUOI-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331277;MM331277;CCN1CCC(O)(CN)C1;AESYOCZNERCLAC-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331278;MM331278;CC=C(F)CC(C#N)C#N;HVFCXZRLUCTKBX-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331279;MM331279;CCN1CCC(F)(CC)C1;IFPOIAIWFWIYDJ-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331280;MM331280;C=CC(C=C)CC(C)=NN;VYSFKEFWSKPDFE-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331281;MM331281;CCN1CCC(F)(CN)C1;UVBMYRLDTVPTLC-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331282;MM331282;C=CC(C=O)CC(C)=NO;HRGBQXSBLGZIDE-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331283;MM331283;CCN1CCC(C)(NC)C1;NHPOCHHEPZPCQF-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331284;MM331284;C=CC(C#N)CC(C)=NO;VZNREXLGASNQOX-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331285;MM331285;C=CC1CCC(C)(CC)C1;IYRMXKBPUFECFK-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331286;MM331286;CC(CC(C=O)C=O)=NO;UMGRBXBRAYUDJV-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331287;MM331287;CCC1(C)CCC(C=O)C1;DMFASGJFZQNUPJ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331288;MM331288;C=CC(C=C)NC(C)=NC;YITJJPLSDWWIET-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331289;MM331289;CCC1(C)CCC(C#N)C1;HBIFTRKLUJNBJG-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331290;MM331290;C=CC(C=C)NC(C)=NN;GUIGHVKKOJUUGN-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331291;MM331291;C=CC1CCC(C)(CN)C1;YNQMXWMFRKHABG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331292;MM331292;C=CC(C#N)NC(C)=NC;CTRBOMYJIDSVFF-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331293;MM331293;C=CC(C=C)C(C)C(N)=O;NZFFFDDKZKDJKC-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331294;MM331294;FC(F)C=NNC1CC1;HQYHMESUIHEODL-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331295;MM331295;C=C(CCCCO)C(C)O;XIHXTEUWHNWULT-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331296;MM331296;C=CC(C=C)OC(C)=CC;JMBOPVDEPNYDJC-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331297;MM331297;CC(C)C(=O)CCCCO;FQMKBBCIJWNDSU-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331298;MM331298;C=CC(C=O)OC(C)=CC;XCHUFFRYJVYAPV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331299;MM331299;C=CC1CCC(C)(CF)C1;KSVMJHQZEOKZLA-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331300;MM331300;C=CC(C#N)OC(C)=CC;OCUXHQGXVFYSBG-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331301;MM331301;CC1(CF)CCC(C=O)C1;BXYRXTFCTGXBKS-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331302;MM331302;CC=C(C)OC(C=O)C=O;HSCVEKOSFUEPNB-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331303;MM331303;CC1(CF)CCC(C#N)C1;LTZPEQRYCGKXTF-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331304;MM331304;CC=C(C)OC(C#N)C=O;ONKFMMDIRWYQOV-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331305;MM331305;C=CC1CCC(N)(CC)C1;YSJBRSNPUHSCKG-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331306;MM331306;CC(=CF)OC(C#N)C#N;UMICEOCVGFSBRY-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331307;MM331307;C=CC1CCC(N)(CN)C1;ZURRYLGPZDWVJY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331308;MM331308;COc1noc(N)c1N;ZLBSRTHXYXCSSN-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331309;MM331309;C=CC1CCC(N)(CO)C1;GPYJHDPNUVNHIZ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331310;MM331310;C=CC(C=C)OC(C)=NO;DRRWYLQTVHPACN-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331311;MM331311;CN(C)C(=O)CCCCO;VVBODOBAQJFBKA-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331312;MM331312;C=CC(C#N)OC(C)=NO;IHCSZDFLDROSOH-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331313;MM331313;CCC1(O)CCC(C=O)C1;IHEUYBVWTZHKPQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331314;MM331314;CC(=NO)OC(C=O)C=O;SILLNNBZZWLGPW-UHFFFAOYSA-N;145.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331315;MM331315;CCC1(O)CCC(C#N)C1;HFBSIIUDVSBYME-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331316;MM331316;CC(=NO)OC(C#N)C=O;VAQRWYSMVANRNC-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331317;MM331317;C=CC1CCC(O)(CN)C1;KFACBCUXQRTKIS-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331318;MM331318;C=CN(C=N)CC(C)=CC;HARMBYSMGJRDEY-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331319;MM331319;C=CC1CCC(O)(CO)C1;QHLJNKYEORSZMN-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331320;MM331320;C=CN(C=O)CC(C)=CC;FECNFTLQGAGCJO-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331321;MM331321;O=CC1CCC(O)(CO)C1;XOJAWPNCIYTTGC-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331322;MM331322;C=CN(C=N)CC(F)=CC;ILGGAJUXVQQIGQ-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331323;MM331323;N#CC1CCC(O)(CF)C1;UZNRDKPZPFYMAU-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331324;MM331324;C=CN(C=N)CC(F)=CF;KRQURISOPDTNSY-UHFFFAOYSA-N;146.14;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331325;MM331325;C=CC1CCC(F)(CC)C1;FHSRSVIMXGBLLI-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331326;MM331326;C=CN(C=O)CC(F)=CC;RVLGWCBQVXMSFR-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331327;MM331327;CCC1(F)CCC(C=O)C1;JVZQJWFXHDHHIX-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331328;MM331328;C=CN(C=O)CC(F)=CF;CFALKXDHLQDPIV-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331329;MM331329;CCC1(F)CCC(C#N)C1;ORYMKQQZUFURFD-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331330;MM331330;C=CN(C=N)CC(C)=NO;QGUSGBSDPNOKNN-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331331;MM331331;C=CC1CCC(F)(CN)C1;JOHBOUPLRXYWKY-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331332;MM331332;CC(CN(C=N)C=N)=NO;QTOUATXCBDXSGU-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331333;MM331333;C=CC1CCC(C)(NC)C1;KQBNRFBBZLOWFR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331334;MM331334;CC(CN(C=N)C=O)=NN;KQPHOXZOAYNXQG-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331335;MM331335;CNC1(C)CCC(C=O)C1;ASGIOEFDAJTZOO-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331336;MM331336;CC(CN(C=N)C=O)=NO;GVAPYWSBVCEVGE-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331337;MM331337;C=CC1CCC(C)(OC)C1;FFNNRZRBEZHGCR-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331338;MM331338;C=NN(C=N)CC(F)=CF;APLWDZPWKLPXSA-UHFFFAOYSA-N;147.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331339;MM331339;C=CC1CC(C)(CC)CN1;GEGDNXXMHUUODJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331340;MM331340;C=NN(C=O)CC(F)=CF;QWMSWYPGGZVTQP-UHFFFAOYSA-N;148.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331341;MM331341;CCC1(C)CNC(C=O)C1;BVJKBCJNDVAFSP-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331342;MM331342;C=NN(C=N)CC(C)=NO;RIYDNWCXAJSMQI-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331343;MM331343;C=CC1CC(C)(CN)CN1;VQEWGKWCQSNIDB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331344;MM331344;C=NN(C=O)CC(C)=NO;SMGHWMPUOMEADD-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331345;MM331345;C=CC1CC(C)(CO)CN1;QUZFADKZJHKQGM-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331346;MM331346;C=CN(C=N)NC(C)=NN;IKTDHPCPILJDBW-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331347;MM331347;C=C(CCCCO)C(C)=O;DZHGJETWXOPXJW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331348;MM331348;C=CC1CC(C)(CF)CN1;CWGMRVTYBIERLM-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331349;MM331349;C=CN(C=O)NC(C)=NO;LFEZPCSWJFKNGS-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331350;MM331350;C=CC1CC(N)(CC)CN1;YRRDQTJIYOCRAH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331351;MM331351;CN=C(C)NN(C=N)C=N;IJOXARONWRFYCR-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331352;MM331352;C=CC1CC(N)(CN)CN1;ZITYHMCPDGNZJJ-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331353;MM331353;CN=C(C)NN(C=N)C=O;DEKAIJJQYKAXGO-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331354;MM331354;C=CC1CC(N)(CO)CN1;RYDYZHNCTUHBQP-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331355;MM331355;CCON=CCCC=O;LVOPKBTZERRCRB-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331356;MM331356;C=CC1CC(O)(CC)CN1;VVGUAONLWIBRRB-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331357;MM331357;CN=C(C)NN(C=O)C=O;YLFYTHPJVUJAJE-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331358;MM331358;CCC1(O)CNC(C=O)C1;XSECDIPUAGKXQX-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331359;MM331359;C#CC1C(C)C1CCO;NHSYMJLHFBPSCR-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331360;MM331360;C=C(F)C(=C)CCCCO;CBMZNFFETLLAKG-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331361;MM331361;CC(=NO)NN(C=O)C=O;ZURVTFHZCPPDIR-UHFFFAOYSA-N;145.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331362;MM331362;C=CC1CC(O)(CN)CN1;MVZORUJRQJRFRX-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331363;MM331363;C=C(C)CC(C)=CC(N)=O;QEDHHPLYARASNS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331364;MM331364;C=CC1CC(O)(CO)CN1;USQJJVBHTQDSRQ-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331365;MM331365;C#CC(CO)CC(C)(C)C;CDISNIGZBPAUPK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331366;MM331366;C=C(C)C(=O)CCCCO;ARUDKKGOXBAZIB-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331367;MM331367;CC(=NO)ON(C=N)C=O;XSLVXLCVJAXNKM-UHFFFAOYSA-N;145.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331368;MM331368;C=CC1CC(F)(CC)CN1;MOAFXSQPSPWCBR-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331369;MM331369;CC(=NO)ON(C=O)C=O;IPANWIHVDVOSQD-UHFFFAOYSA-N;146.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331370;MM331370;CCC1(F)CNC(C#N)C1;GDJOSXSPKISKML-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331371;MM331371;C#CC(C=C)CC(C)=CC;HOCJWBDQDCKYKT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331372;MM331372;C=CC1CC(F)(CN)CN1;QMVSRAIDZCEYEG-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331373;MM331373;C#CC(C=O)CC(C)=CC;HHHYPOWAPKFWNU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331374;MM331374;C=CC1CC(F)(CO)CN1;LFNHVSMRUMYKCV-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331375;MM331375;C#CC(C#N)CC(C)=CC;BKMDRIAPDZZQEF-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331376;MM331376;C=CC1CC(C)(NC)CN1;DYXQCARTZXZLSM-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331377;MM331377;C#CC(C=C)CC(F)=CC;ZTCDSXUPODWWHN-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331378;MM331378;CNC1(C)CNC(C=O)C1;AZYAZWZZADESNN-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331379;MM331379;C#CC(C=C)CC(F)=CF;COZMXIJHYJZDJX-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331380;MM331380;CNC1(C)CNC(C#N)C1;NQMSBAFYXFATAG-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331381;MM331381;C#CC(C#N)CC(F)=CC;MHHASARUHGOPCZ-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331382;MM331382;C=CC1CC(C)(OC)CN1;FGJZGQJTNFFKEI-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331383;MM331383;C#CC(C=O)CC(F)=CF;RSNDFDRIIGJJQV-UHFFFAOYSA-N;144.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331384;MM331384;C=CC1CC(C)(CC)CO1;UXXUGHNERNNWNW-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331385;MM331385;C#CC(C#N)CC(F)=CF;CYSBFKNROIBUSB-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331386;MM331386;CCC1(C)COC(C=O)C1;UWSOCAZJMLWQHF-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331387;MM331387;C#CC(C=C)CC(C)=NN;ORUGDZDLAQMAGV-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331388;MM331388;C=CC1CC(C)(CO)CO1;DAYMCMGYEJEJOO-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331389;MM331389;C#CC(C=C)CC(C)=NO;CLNRSUZRFXLGJL-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331390;MM331390;CC1(CO)COC(C=O)C1;FDDKUBORPHYBQL-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331391;MM331391;C#CC(C#N)CC(C)=NO;ZJCCKIGMDODRKB-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331392;MM331392;CC1(CF)COC(C#N)C1;RPRGHRJSXIUZJW-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331393;MM331393;C#CC(C=C)NC(C)=NC;RYMLYUFAQOTCTK-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331394;MM331394;C=CC1CC(N)(CC)CO1;IMSYSBCVYQPSQQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331395;MM331395;C#CC(C=O)NC(C)=NC;BFFUQPJJZNVSNS-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331396;MM331396;C=CC1CC(N)(CN)CO1;ITGAKUJTKJGKQV-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331397;MM331397;C#CC(C=O)NC(C)=NO;JMJBBZINNQTSDA-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331398;MM331398;C=CC1CC(N)(CO)CO1;AAVQVFKKMBSALC-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331399;MM331399;C#CC(C=C)OC(C)=CC;DHAVUHSMVPIFNC-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331400;MM331400;C#CC(C=O)OC(C)=CC;GIJFSSUKNQXDGC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331401;MM331401;CCC1(O)COC(C=O)C1;SGKIHTZXRMVQOE-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331402;MM331402;C=CC1CC(O)(CO)CO1;LAONBDCZJGQKDQ-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331403;MM331403;C#CC(C#N)OC(C)=CC;PHDYEHSIMAGQGY-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331404;MM331404;CC(C)(C#CC(F)F)CO;AIXWFKIPQJSKOY-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331405;MM331405;O=CC1CC(O)(CO)CO1;LTHFFDOKTHECFV-UHFFFAOYSA-N;146.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331406;MM331406;C#CC(C=O)OC(C)=NO;IBDPHPJKIDQZQS-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331407;MM331407;C=CC1CC(F)(CC)CO1;XUWCOOCCYSQKEZ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331408;MM331408;C=CC1CC(F)(CN)CO1;RWBXLPFOSACWDR-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331409;MM331409;C#CC(C#C)CC(C)=CC;SMIVGDHIXLTSSX-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331410;MM331410;CNC1(C)COC(C#N)C1;UERRLNQTILDVSB-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331411;MM331411;C#CC(C#C)CC(C)=CF;JZVAPUDTCLGVRM-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331412;MM331412;C#CC(C#C)CC(F)=CC;YMXADHAFRAHZJC-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331413;MM331413;C=CC1CC(C)(OC)CO1;SWNYTCKUSSSMMO-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331414;MM331414;C#CC(C#C)CC(F)=CF;MRXVDLXZCQZEMX-UHFFFAOYSA-N;140.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331415;MM331415;C=CC1CNC(C)(CC)C1;GGSKXGQMJVKMBT-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331416;MM331416;C#CC(C#C)CC(C)=NN;JQCAGHSJXWJQSG-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331417;MM331417;CCC1(C)CC(C=O)CN1;OCMDPLGIFUYSGE-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331418;MM331418;CCC1(C)CC(C#N)CN1;BUDMLMLMICJKQM-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331419;MM331419;C#CC(C#C)NC(C)=NC;OHKWLWVEKAYIPQ-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331420;MM331420;C=CC1CNC(C)(CN)C1;YVAMRMGRKAFKMX-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331421;MM331421;C#CC(C#C)OC(C)=CC;DVDWNWVHECPLRE-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331422;MM331422;CC1(CO)CC(C=O)CN1;FXTVGBMYQNELCE-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331423;MM331423;C#CC(C#C)OC(C)=CF;IEPGEAWBZDXQDT-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331424;MM331424;C=CC1COC(C)(CC)C1;JGOOUQKAEJHQSH-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331425;MM331425;C=NN=CC(C)(F)C(C)=O;MSPQFYGILMLNRS-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331426;MM331426;C=CC1COC(C)(CN)C1;JJUIWMRYOZXNJJ-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331427;MM331427;CC=C(CC)CC(C)CC;ZXEVZDFOUXGPRP-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331428;MM331428;COC1(C)CC(C=O)CO1;ZQCARPUISXHBRD-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331429;MM331429;CC=C(CC)CC(C)CN;IAXPAASRTMWMKU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331430;MM331430;C=CC1CCC(C)(CC)N1;WULSTIVBMZBENS-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331431;MM331431;CC1(C)C(CCO)C1(C)C;SXQCOTFADCHNPI-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331432;MM331432;CCC1(C)CCC(C=O)N1;JDUAKIRSNCECHT-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331433;MM331433;CC=C(CC)CC(C)CF;RTVDLKWFTLOQIU-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331434;MM331434;C=CC1CCC(C)(CN)N1;YSTDMKYDKLFDGN-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331435;MM331435;CCC(=CF)CC(C)CC;CKAUSDXHPNDQDQ-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331436;MM331436;C=CC1CCC(C)(CO)N1;YANRDZBYMLWAKO-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331437;MM331437;CCC(=CF)CC(C)CN;SMWRJILSYWNARY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331438;MM331438;CC1(CO)CCC(C=O)N1;ROPRRKJRQSSTNV-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331439;MM331439;CCC(=CF)CC(C)CF;GKRSHGYFZTYVPH-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331440;MM331440;C=C(CC=CCC)C(N)=O;DVDLHPJQPCJHHB-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331441;MM331441;CC=C(CN)CC(C)CC;KVZQNZRBRUXLGZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331442;MM331442;C=CC1CCC(C)(CF)N1;CUIGUGIZANGUAM-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331443;MM331443;CC=C(CN)CC(C)CN;BJIKATMFDXHMLA-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331444;MM331444;CC1(CF)CCC(C#N)N1;CODKPWSLYZQURO-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331445;MM331445;CC=C(CN)CC(C)CO;YDKJJZZHQNGKHE-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331446;MM331446;C=CC1CCC(C)(CC)O1;LTAJMLPMVUZIKD-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331447;MM331447;CC=C(CN)CC(C)CF;IGVSVSJIHXEIHJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331448;MM331448;CCC1(C)CCC(C=O)O1;HBJMBDSXVZHJPC-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331449;MM331449;CCC(C)CC(=CF)CN;NZNHJHLDYPXVOI-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331450;MM331450;CCC1(C)CCC(C#N)O1;LMIVQELTMKKCHK-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331451;MM331451;C=C(CCO)C(C)(C)CF;CZDGCZHTGGYFOB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331452;MM331452;C=CC1CCC(C)(CN)O1;UMWMALRFNJOAQU-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331453;MM331453;CC=C(CO)CC(C)CN;SQJHQMOOJXNPDR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331454;MM331454;CC1(CO)CCC(C=O)O1;CJTPBFFZGZXVAO-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331455;MM331455;CC=C(CF)CC(C)CC;FBTIUQZLXPFBIB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331456;MM331456;CC1(CO)CCC(C#N)O1;YUYSBFUZGLUHTK-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331457;MM331457;CC=C(CF)CC(C)CN;VLNNKKWJZAPIFN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331458;MM331458;CC1(CF)CCC(C#N)O1;QTVASVIWBPHMGA-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331459;MM331459;CC=C(CF)CC(C)CF;FRSNFVNADOCZOO-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331460;MM331460;C=CC1CCC(C)(OC)O1;MZQLJLJHOVVBCT-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331461;MM331461;CC(CN)CC(=CF)CF;CPZPYEIHVCITKP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331462;MM331462;C=CC1OCC(C)(CC)O1;KNEYMYOFTVCJRT-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331463;MM331463;CCC1(C)COC(C#N)O1;NQMWBLLOQUMDSJ-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331464;MM331464;C=CC(=C)CCCC(N)=O;ASKSEKSTRSUGHP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331465;MM331465;CCC1(C)CCN(C=N)C1;SJKDQPGVHFSJJX-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331466;MM331466;CC(CF)CC(=CF)CF;FCPZIQOZIPLONF-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331467;MM331467;CCC1(C)CCN(C=O)C1;JUCOIFRUQQJBTK-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331468;MM331468;CC=C(CC)CC(N)CC;RCJLIUZURLENLH-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331469;MM331469;CC1(CN)CCN(C=N)C1;UUAWTOPFOKPPMF-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331470;MM331470;CC=C(CC)CC(N)CN;HYTAHLJYSAZKGZ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331471;MM331471;CC1(CN)CCN(C=O)C1;IIPLIXBYAVUIAC-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331472;MM331472;CC=C(CC)CC(N)CO;XJBBBYFSETZHSW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331473;MM331473;CC1(CO)CCN(C=N)C1;SOPGIFQJLHPHND-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331474;MM331474;CC=C(CC)CC(N)CF;AFWVOTZGAFZVAX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331475;MM331475;CC1(CO)CCN(C=O)C1;MCDBFRXHYRHDCC-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331476;MM331476;CCC(=CF)CC(N)CC;JKONWZCDNJFRSB-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331477;MM331477;CC1(CF)CCN(C=N)C1;MZAAAZIUSWBTTC-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331478;MM331478;CCC(=CF)CC(N)CF;NXGCUZZBGHFAEF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331479;MM331479;CC1(CF)CCN(C=O)C1;WZVRBJROXAIZAW-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331480;MM331480;CC=C(CN)CC(N)CC;PXEJRMFAUTXKBG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331481;MM331481;CCC1(N)CCN(C=N)C1;GTAKFODZYBSZGW-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331482;MM331482;CC=C(CN)CC(N)CN;KKROBFBBJDOZCW-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331483;MM331483;CCC1(N)CCN(C=O)C1;VPQYDFNLISYNIM-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331484;MM331484;CC=C(CN)CC(N)CO;PWLPTDLTPLOXOE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331485;MM331485;NCC1(N)CCN(C=O)C1;FGVUBLPEBQKMFE-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331486;MM331486;NCC(=CF)CC(N)CO;NCBSFIZKZMNNKR-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331487;MM331487;N=CN1CCC(N)(CO)C1;PGIXDHBVQSXDOX-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331488;MM331488;CC=C(CO)CC(N)CC;JNWKJYUROAEFCZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331489;MM331489;NC1(CO)CCN(C=O)C1;FXEZHWUASGETFN-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331490;MM331490;CC=C(CO)CC(N)CN;URYFELSBBSZSIL-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331491;MM331491;CCC1(O)CCN(C=N)C1;FDAKGTHIOJLZCA-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331492;MM331492;CC=C(CF)CC(N)CC;NFHKDJAPYBQAMG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331493;MM331493;CCC1(O)CCN(C=O)C1;CQGRHAVEYLBKMJ-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331494;MM331494;CC=C(CF)CC(N)CF;MWKRITYPSZRNCU-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331495;MM331495;N=CN1CCC(O)(CN)C1;GCHIJAQGTDNSHI-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331496;MM331496;NCC(N)CC(=CF)CF;OLHOXDYIXAXDIR-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331497;MM331497;NC(CO)CC(=CF)CF;ZPDTYISSZJYULU-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331498;MM331498;NCC1(O)CCN(C=O)C1;BFMXIVLILIDLBR-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331499;MM331499;NC(CF)CC(=CF)CF;PTJJOKHYUQLSSK-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331500;MM331500;N=CN1CCC(O)(CO)C1;JNIGOXRXAVPQFS-UHFFFAOYSA-N;144.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331501;MM331501;O=CN1CCC(O)(CO)C1;CCFJVSLGLFEKMY-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331502;MM331502;C=CC(C)C(C)=CC(N)=O;MWKSHMXOGPIXKI-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331503;MM331503;CC=C(CC)CC(O)CN;FDRFSNAFEFBYOD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331504;MM331504;N=CN1CCC(O)(CF)C1;DIHTWXAUYPAKNC-UHFFFAOYSA-N;146.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331505;MM331505;CC=C(CC)CC(O)CO;HBCDKTLDRPYYEM-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331506;MM331506;O=CN1CCC(O)(CF)C1;XNYVJAIDKOQXFF-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331507;MM331507;CC=C(CC)CC(O)CF;CGYXWWBOCLWSCU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331508;MM331508;CCC1(F)CCN(C=N)C1;YLDPLIJHDSFTAQ-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331509;MM331509;CCC(=CF)CC(O)CC;DILSEIZEKYZBOC-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331510;MM331510;CCC1(F)CCN(C=O)C1;NEWCAAGSLUASES-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331511;MM331511;CCC(=CF)CC(O)CO;WRVGUEQUNRXMTG-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331512;MM331512;N=CN1CCC(F)(CN)C1;LTSIAPITPZMDDY-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331513;MM331513;CCC(=CF)CC(O)CF;GFOBFRSAEUGTJS-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331514;MM331514;NCC1(F)CCN(C=O)C1;JAKSTRUZHZXLQS-UHFFFAOYSA-N;146.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331515;MM331515;CC=C(CN)CC(O)CC;TXGTUTSTOBITOB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331516;MM331516;O=CN1CCC(F)(CO)C1;JDXHJWAUGUFDTI-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331517;MM331517;NCC(=CF)CC(O)CN;FEGPFXAHRBVAQI-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331518;MM331518;C=NN1CCC(C)(CC)C1;VRUNWKQEZQXXOX-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331519;MM331519;CC=C(CO)CC(O)CC;XFXAVHSTZADGND-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331520;MM331520;C=NN1CCC(C)(CN)C1;PWOPFCOALDPEKE-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331521;MM331521;CC=C(CO)CC(O)CN;YBTVNOJLBRRBJO-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331522;MM331522;CCON=CC(C)C(C)=O;ZMPSOANFOAUINM-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331523;MM331523;CC=C(CO)CC(O)CO;RVLFPRIMGAEKKN-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331524;MM331524;C=NN1CCC(C)(CF)C1;OPZLGAMSFCVGLD-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331525;MM331525;CC=C(CF)CC(O)CC;GABJHVPNZDCYHG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331526;MM331526;C=NN1CCC(N)(CC)C1;FMYOIKHMBLCWIC-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331527;MM331527;NCC(O)CC(=CF)CF;NOGGLLYEUSMTGA-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331528;MM331528;C=NN1CCC(N)(CN)C1;FPAPHHVUWMUFRK-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331529;MM331529;OC(CF)CC(=CF)CF;VVAGEULIMGTRFR-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331530;MM331530;C=NN1CCC(N)(CO)C1;JAEIFMSHUHKTRK-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331531;MM331531;CC=C(CC)CC(F)CC;NTDYVRSPHROXTF-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331532;MM331532;CC(F)=C(C)CCCCO;XHJWCLAAHBUELV-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331533;MM331533;CC=C(CC)CC(F)CN;UBWNIPMIKIVWGM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331534;MM331534;CC=C(CC)CC(F)CO;RNASVLJXBBWOCJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331535;MM331535;C=NN1CCC(O)(CN)C1;SKBSGWGPAHBVQR-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331536;MM331536;CCC(=CF)CC(F)CO;WPLJNUYUAVFUTN-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331537;MM331537;CC(C)=C(F)CCCCO;JOZMXLWVBBJJDP-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331538;MM331538;CC=C(CN)CC(F)CC;ZTQURBRXWARUTI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331539;MM331539;C=NN1CCC(F)(CC)C1;IXNRQVHNTBOXLD-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331540;MM331540;CC=C(CN)CC(F)CN;XUDIKJGZHDSIID-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331541;MM331541;C=NN1CCC(F)(CN)C1;KBDQQDXNUJWJJM-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331542;MM331542;CCC(F)CC(=CF)CN;UFSFGCUIIDVXAL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331543;MM331543;CNC1(C)CCN(C=N)C1;OXMUCUYHIJKDGN-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331544;MM331544;NCC(=CF)CC(F)CN;MJJGXYYMLVDBOR-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331545;MM331545;CNC1(C)CCN(C=O)C1;WLMKRWUYLAPKKE-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331546;MM331546;OCC(=CF)CC(F)CO;QNYVFJOBNYODMU-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331547;MM331547;C=NN1CCC(C)(NC)C1;BCYQPMJVEKDPIZ-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331548;MM331548;CC=C(CF)CC(F)CC;UHNGJQHFHVPXDP-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331549;MM331549;COC1(C)CCN(C=N)C1;IEPBNLGDDCQYKL-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331550;MM331550;CC=C(CF)CC(F)CN;FIPVFIMNNALWOC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331551;MM331551;COC1(C)CCN(C=O)C1;RRCBHBXLHQXIEX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331552;MM331552;CC=C(CF)CC(F)CO;ANSAZVFALCLDPG-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331553;MM331553;C=NN1CCC(C)(OC)C1;YWIKWJZEKOGDIG-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331554;MM331554;CCC(F)CC(=CF)CF;ICXPFDPWUAKOBW-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331555;MM331555;CCC1(C)CNN(C=N)C1;HYTYUJIZTJYPDV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331556;MM331556;NCC(F)CC(=CF)CF;GZJLEAGGGOLFGR-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331557;MM331557;CCC1(C)CNN(C=O)C1;QCDGLKAAGLQIIL-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331558;MM331558;OCC(F)CC(=CF)CF;FPIRUUUBYWXWIY-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331559;MM331559;CC1(CN)CNN(C=N)C1;AYLBCWVKKWLWQU-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331560;MM331560;CC=C(CC)CC(C)NC;FCDMICOYLFMWEV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331561;MM331561;CC1(CN)CNN(C=O)C1;ZBDWKDVIYTTXDV-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331562;MM331562;CCC(=CF)CC(C)NC;XRRRPVRWHFDEGB-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331563;MM331563;CC1(CO)CNN(C=N)C1;GETNUPFVAUJUMT-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331564;MM331564;CC=C(CN)CC(C)NC;WJKIKXWZMIOGCJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331565;MM331565;C=CCC(C)C(=C)C(N)=O;ZTOOOHXOZVBXTN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331566;MM331566;CC=C(CF)CC(C)NC;KMAYZSFJZSEPNX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331567;MM331567;CC=C(CC)CC(C)OC;DOESXLQYVOLQMX-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331568;MM331568;CCC1(N)CNN(C=N)C1;NRZKGRJFKHISSM-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331569;MM331569;CC=C(CN)CC(C)OC;IVAXQLFCMQHNLD-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331570;MM331570;CCC1(N)CNN(C=O)C1;AHSSQPOOZWMPBR-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331571;MM331571;CC=C(CO)CC(C)OC;XCWFVILHFSGAMI-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331572;MM331572;N=CN1CC(N)(CN)CN1;MXXYUDDQCWVVBJ-UHFFFAOYSA-N;143.19;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331573;MM331573;COC(C)CC(=CF)CO;CYMBDQMDWCRDCO-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331574;MM331574;NCC1(N)CNN(C=O)C1;YVTQXWJFHMIMIL-UHFFFAOYSA-N;144.18;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331575;MM331575;CC=C(CF)CC(C)OC;CSLVRKSANDDXEP-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331576;MM331576;CCC1(O)CNN(C=N)C1;PSHGERLLZIDEAG-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331577;MM331577;CCC(CC(C)CC)=NN;AAMUBKPLLGQFMN-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331578;MM331578;C=CCC(C)=C(C)C(N)=O;MQJPSDQSHKQSME-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331579;MM331579;CCC(CC(C)CC)=NO;CBVWMGCJNPPAAR-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331580;MM331580;N=CN1CC(O)(CN)CN1;FXDVNZXNJMXPGY-UHFFFAOYSA-N;144.18;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331581;MM331581;CCC(CC(C)CN)=NO;ZLLNNFUAACKLFT-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331582;MM331582;NCC1(O)CNN(C=O)C1;DTJXOLRCRODYNZ-UHFFFAOYSA-N;145.16;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331583;MM331583;CCC(CC(C)CO)=NO;GFXCPRJFAKUXHV-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331584;MM331584;N=CN1CC(O)(CO)CN1;RZMCAMXJTGSGJE-UHFFFAOYSA-N;145.16;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331585;MM331585;CCC(CC(C)CF)=NO;XMESMGMKFXIGQL-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331586;MM331586;C=CCC(CC=C)C(N)=O;JYFZEIOJVVOTPN-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331587;MM331587;C=CCC(=CC(N)=O)CC;SCLAZVFJUDXXMW-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331588;MM331588;C#CC(C=C)C=CC(C)O;KWWJUNVOWYRMJT-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331589;MM331589;CC(CF)CC(CF)=NN;XHGDEPVSHRHZBM-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331590;MM331590;CCC1(F)CNN(C=N)C1;KEZDRNVXFGQVPP-UHFFFAOYSA-N;145.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331591;MM331591;CCC(CC(N)CC)=NO;KFOVVGKYHWBKSV-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331592;MM331592;CCC1(F)CNN(C=O)C1;SMEQAHMSXPLELH-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331593;MM331593;CCC(CC(N)CN)=NO;SVBANEJMBWPJHK-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331594;MM331594;C#CC(C)(C)CC1CC1O;KKIFCWFNMWUKRY-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331595;MM331595;N=CN1CC(F)(CO)CN1;OAQYCBMQBBEXSB-UHFFFAOYSA-N;147.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331596;MM331596;N#CCCNN=CC(F)F;SQAYLBOIRACZJV-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331597;MM331597;C=CC(=CCC(N)=O)CC;SWOIZMAXYHIGLA-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331598;MM331598;CCC(CC(O)CC)=NO;HZFIQHAGXYHVBV-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331599;MM331599;CNC1(C)CNN(C=N)C1;KWNADLHLXKLXNO-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331600;MM331600;CNC1(C)CNN(C=O)C1;CFOVEVZDDAJBDF-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331601;MM331601;CNN=COC(=O)C(F)F;LYMPUBOBMOULLB-UHFFFAOYSA-N;152.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331602;MM331602;CCC1(C)CON(C=O)C1;QCAVEHRVMKITPU-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331603;MM331603;CCC=C(C(N)=O)C(C)C;VZGHVMPMCUEIBE-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331604;MM331604;CCC(CC(F)CC)=NO;ZISKXUVFVWZWFO-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331605;MM331605;CC1(CN)CON(C=N)C1;YQGDWVWWDZEKDK-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331606;MM331606;CC1(CO)CON(C=O)C1;YERBOTVMRKGMKD-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331607;MM331607;CCC(CC(F)CN)=NO;UROBVAJIDCAYEL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331608;MM331608;CC1(CF)CON(C=O)C1;IAULJFOVTHVSIG-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331609;MM331609;CCC(CC(F)CO)=NO;UZBUKURHKRIKEO-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331610;MM331610;CCC1(N)CON(C=O)C1;RIMSBWKOOLURQO-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331611;MM331611;CCC(CC(F)CF)=NO;RKGSBNVLIHECKV-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331612;MM331612;N=CN1CC(N)(CN)CO1;OFFLUGBLCWOAMC-UHFFFAOYSA-N;144.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331613;MM331613;CCC(CC(C)OC)=NO;NKWPXXDODJIPIN-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331614;MM331614;NCC1(N)CON(C=O)C1;GPSGBLZYRQHSLU-UHFFFAOYSA-N;145.16;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331615;MM331615;CCCC(C(N)=O)=C(C)C;YQSKTHSYJSZMLA-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331616;MM331616;CCC1(O)CON(C=O)C1;GFALMHZAWHNWNO-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331617;MM331617;COC(C)CC(CF)=NN;PNFKNVMUDQGQHJ-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331618;MM331618;N=CN1CC(O)(CN)CO1;OTNIESPEFMRUBF-UHFFFAOYSA-N;145.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331619;MM331619;CCC(C)CC(=NC)NC;PMMDHDXIWIQRLH-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331620;MM331620;NCC1(O)CON(C=O)C1;YFYUVGOFCONGOV-UHFFFAOYSA-N;146.15;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331621;MM331621;CN=C(CC(C)CO)NC;FMDBLXPIYSZUKC-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331622;MM331622;O=CN1CC(O)(CO)CO1;WPJUBLQCUFNYIP-UHFFFAOYSA-N;147.13;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331623;MM331623;CN=C(CC(C)CF)NC;ABRYQHUMBXHZIH-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331624;MM331624;CCC1(F)CON(C=O)C1;USHPLKUJRGTLLO-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331625;MM331625;CN=C(CC(C)CN)NO;MHGLBGCQDFBMRQ-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331626;MM331626;NCC1(F)CON(C=O)C1;GHHPSILDPRRZIA-UHFFFAOYSA-N;148.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331627;MM331627;CCC(N)CC(=NC)NC;CLPMLKNGSXRVOI-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331628;MM331628;O=CN1CC(F)(CO)CO1;SNVYTLROXMBQRN-UHFFFAOYSA-N;149.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331629;MM331629;CN=C(CC(N)CN)NC;VMJAJZULGRECGB-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331630;MM331630;COC1(C)CON(C=O)C1;YDTYULWEEQGMDZ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331631;MM331631;CN=C(CC(N)CO)NC;NIXCQDSKDVKAGL-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331632;MM331632;CCC1(C)CCN(C=N)N1;YMEQMFFUAQEDQB-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331633;MM331633;CN=C(CC(N)CF)NC;CPWPUPBVLMLYFM-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331634;MM331634;CCC1(C)CCN(C=O)N1;PSASDQUNKLZBTB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331635;MM331635;NCC(N)CC(=NO)NO;HDRLGYQXWJFGNW-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331636;MM331636;CC1(CN)CCN(C=N)N1;SGQUZGAPEDAEAV-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331637;MM331637;CCC(O)CC(=NC)NC;LXTPVRVMSSWENY-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331638;MM331638;CC1(CN)CCN(C=O)N1;JJFJOWDSADGGIT-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331639;MM331639;CN=C(CC(O)CN)NC;RKLQHDXKZPYERS-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331640;MM331640;CN=C(CC(O)CO)NN;LBVODZADPJKXLE-UHFFFAOYSA-N;147.18;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331641;MM331641;CC1(CO)CCN(C=N)N1;ATYFIIHIXULEBH-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331642;MM331642;CN=C(CC(O)CF)NN;KLFYNRLHXZXXRL-UHFFFAOYSA-N;149.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331643;MM331643;CC(CCC=O)=NN=CN;UEEVMAQVHPBEHL-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331644;MM331644;CCC(O)CC(=NC)NO;PKJJYYORBLOSHF-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331645;MM331645;CC1(CF)CCN(C=O)N1;JMEDDBMRWXJCHY-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331646;MM331646;CN=C(CC(O)CO)NO;OOBXYSULQUCLSZ-UHFFFAOYSA-N;148.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331647;MM331647;CCC1(C)CCN(C=O)O1;FZUSLQLCELFJSW-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331648;MM331648;CC1(CN)CCN(C=N)O1;IRASSTSYSXBCHN-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331649;MM331649;C=CC(O)CC=C(C)C#N;UMQWQOZESFKYCD-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331650;MM331650;C#CC(CO)CC1(C)CC1;DWXSADQNKSUBKL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331651;MM331651;CC1(CN)CCN(C=O)O1;GLOCCNUGNUIFBF-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331652;MM331652;CCC(O)CC(=NO)NO;ZBJQIHCECMFMMC-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331653;MM331653;CC1(CO)CCN(C=O)O1;MBKCEWJQJHXYMG-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331654;MM331654;OCC(O)CC(=NO)NO;YIKNOCFTXSZOAK-UHFFFAOYSA-N;150.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331655;MM331655;COC1(C)CCN(C=O)O1;WZXAEQGHDZYTCE-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331656;MM331656;ON=C(CC(O)CF)NO;VQQKPRCRPFIWKT-UHFFFAOYSA-N;152.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331657;MM331657;C#CC1CCC(C)(CC)C1;ASBUVQIGBCKEJO-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331658;MM331658;CCC(F)CC(=NC)NC;CLLMHLZNCPMKQI-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331659;MM331659;C#CC1CCC(C)(CN)C1;SMCSPMFUMWIDFO-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331660;MM331660;CN=C(CC(F)CN)NC;PCRCUNLVVMGEEQ-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331661;MM331661;N=CNN=C(N)OCC=O;YIGOTNAQWXWALO-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331662;MM331662;CCC(F)CC(=NN)NC;ZOHVELGTEIEFSL-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331663;MM331663;C#CC1CCC(C)(CF)C1;JOXRECAVOZULCE-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331664;MM331664;CN=C(CC(F)CO)NN;HXYLORRXOKDGEK-UHFFFAOYSA-N;149.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331665;MM331665;C#CC1CCC(N)(CC)C1;NAIRKOMCXGYSPW-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331666;MM331666;C=CC(C=C)CCC(N)=O;FKXQKVLRVXQDAQ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331667;MM331667;C#CC1CCC(N)(CO)C1;GTDCSPRXROPTFB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331668;MM331668;C=CC(C=C)C=CC(C)O;FNCBKVWBPRDXNN-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331669;MM331669;C=NNCC(=O)C(=C)C#N;NZPZTCXWFBKBBQ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331670;MM331670;OCC(F)CC(=NO)NO;FQKRTSXSXVMWLF-UHFFFAOYSA-N;152.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331671;MM331671;C#CC1CCC(O)(CO)C1;OGYANNXZZFISAW-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331672;MM331672;CNC(C)CC(=NN)NN;QQQZEOTVESTBDT-UHFFFAOYSA-N;145.21;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331673;MM331673;C#CC1CCC(F)(CC)C1;OJOUAGDJOCBQSE-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331674;MM331674;CN=C(CC(C)OC)NC;SYLGMMIIZZQLKS-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331675;MM331675;C#CC1CCC(F)(CN)C1;QDPGLYBTTDZTPP-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331677;MM331677;C#CC1CCC(F)(CO)C1;PXRXYVYLDNSAFA-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331676;MM331676;CC=C(CC(C)CC)OC;NXCUHNSFLCUEAN-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331678;MM331678;CC=C(CC(C)CN)OC;FVCBGFYDARAHJL-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331679;MM331679;C#CC1CCC(C)(NC)C1;MDRPLGFPZWEYAX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331680;MM331680;CC=C(CC(C)CF)OC;FMCGZIGKZWFCGK-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331681;MM331681;C#CC1CC(C)(CC)CN1;RPGJGEXZVGXHLT-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331682;MM331682;COC(=CF)CC(C)CO;ZSLOPOBPAHVGGM-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331683;MM331683;C#CC1CC(C)(CN)CN1;OPTRINIJNVTCNX-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331684;MM331684;CC=C(CC(N)CC)OC;MIXAASDRYWCKOE-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331685;MM331685;C#CC1CC(C)(CF)CN1;JGGJHHYIUIUWKO-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331686;MM331686;CC=C(CC(N)CN)OC;KATQHOFZTQGEFA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331687;MM331687;C#CC1CC(N)(CC)CN1;CFCLJQCAHYXXFB-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331688;MM331688;CC=C(CC(N)CF)OC;LLYMCQVBNNVUTO-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331689;MM331689;C#CC1CC(N)(CN)CN1;FXHPEIOURAUNKF-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331690;MM331690;CCC(N)CC(=CF)OC;XMLRNGBIVXZWAR-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331691;MM331691;C#CC1CC(N)(CO)CN1;YWVZWNCPYLUVKP-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331692;MM331692;CC=C(CC(O)CC)OC;JJRONXFUGVBLEY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331693;MM331693;C#CC1CC(O)(CC)CN1;WQHUWHSDTIKMFF-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331694;MM331694;CCC(O)CC(=CF)OC;RKNKLYAZVBXQQI-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331695;MM331695;C#CC1CC(O)(CN)CN1;GLUBZUNRYRQHLZ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331696;MM331696;COC(=CF)CC(O)CF;RRFIPVDMDRWADA-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331697;MM331697;C#CC1CC(O)(CO)CN1;SJOSAXOPIBCEHV-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331698;MM331698;CC=C(CC(F)CC)OC;ROCJAGNHIXJHDW-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331699;MM331699;C#CC1CC(C)(NC)CN1;ZGOGQNUVSCGFGV-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331700;MM331700;CC=C(CC(F)CN)OC;RGQPKJSTBSOYIC-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331701;MM331701;C#CC1CC(C)(CC)CO1;OVSTWOKLNFIQKU-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331702;MM331702;CC=C(CC(F)CO)OC;NLNWXTRSILPYHI-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331703;MM331703;C#CC1CC(C)(CO)CO1;ARAVKQNMNRXPQQ-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331704;MM331704;COC(=CF)CC(F)CO;KTKFBNOLSUUDAH-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331705;MM331705;C#CC1CC(C)(CF)CO1;VTNAPIMCYYMJJP-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331706;MM331706;CC=C(CC(C)NC)OC;SNVUYVFQKVIVJB-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331707;MM331707;C#CC1CC(N)(CC)CO1;UUMBVFXNJGDSBC-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331708;MM331708;CC=C(CC(C)OC)OC;HCEITTDCXKNPON-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331709;MM331709;C#CC1CC(N)(CN)CO1;OMRLYPHFYFZXQW-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331710;MM331710;COC(=CF)CC(C)OC;IQCXXMWMQFDJGU-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331711;MM331711;C#CC1CC(O)(CC)CO1;WVYDAECALVLWEF-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331712;MM331712;C=CC(C=O)C=CC(C)O;XITMPHXGMVVNAG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331713;MM331713;C#CC1CC(O)(CN)CO1;QOASMZJDHNXGDU-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331714;MM331714;CCC(C)CC(=NO)OC;BKYGOASMPPLQSA-UHFFFAOYSA-N;145.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331715;MM331715;C#CC1CC(O)(CO)CO1;AGIOPMYPZVVECU-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331716;MM331716;COC(CC(N)CN)=NO;FSMWXNZZPUZKLK-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331717;MM331717;C#CC1CC(F)(CC)CO1;IUHBIVHQGAADAI-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331718;MM331718;C#CC#CC=CC(O)CC;PWZUHTJORMYZNR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331719;MM331719;C#CC1CC(F)(CN)CO1;GURXHXCGTHPBIE-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331720;MM331720;COC(CC(O)CN)=NO;PKIGHBIASQQIPF-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331721;MM331721;C#CC1CC(C)(NC)CO1;DGYUGGPOMVERPJ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331722;MM331722;COC(CC(O)CO)=NO;ILWWHHPSJVUZJX-UHFFFAOYSA-N;149.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331723;MM331723;C#CC1CNC(C)(CC)C1;NEEAHKCMOBEGSW-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331724;MM331724;C=NN(CCC)C(C)C=O;ICIQBGYLDCMSOP-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331725;MM331725;C#CC1CNC(C)(CN)C1;VMVBSANGMGZJJO-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331726;MM331726;COC(CC(F)CN)=NO;GPKACHWULGQRGZ-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331727;MM331727;C#CC1CNC(C)(CO)C1;BPCIIBSUAJCMEC-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331728;MM331728;CCC(=NC(C)CC)NC;KSKZNIOPZCRUSS-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331729;MM331729;C#CC1COC(C)(CC)C1;YGAOYWQFDVONTQ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331730;MM331730;CCC(=NC)NC(C)CN;RHVFFRKGZAUMLB-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331731;MM331731;C#CC1COC(C)(CN)C1;VFMXHYOMHDNNDU-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331732;MM331732;CCC(=NC(C)CO)NC;XMJARDCZWAAWLI-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331733;MM331733;C#CC1COC(C)(OC)C1;HUYQFQVWRHTXGE-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331734;MM331734;CCC(=NC)NC(C)CF;YPMDYVQPYVGPGQ-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331735;MM331735;C#CC1CCC(C)(CC)N1;LVEICWPPZBUFQI-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331736;MM331736;CCC(=NC(C)CC)NN;WWPLDCDGVDCQGL-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331737;MM331737;C#CC1CCC(C)(CN)N1;RUFAYEWIMSJYGH-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331738;MM331738;CCC(=NC(C)CC)NO;UBGGFRKRPGGCMX-UHFFFAOYSA-N;144.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331739;MM331739;C#CC1CCC(C)(CO)N1;JZWIQTQCBXEMAW-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331740;MM331740;CCC(C)N=C(CN)NC;CNUAREGPNSFKMJ-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331741;MM331741;C#CC1CCC(C)(CF)N1;GFAUERRTRNDOEV-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331742;MM331742;CNC(CN)=NC(C)CN;YIXIFJKJUFNDDL-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331743;MM331743;C#CC1CCC(C)(CC)O1;ODGNMFVUZPIYPM-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331744;MM331744;CN=C(CN)NC(C)CO;OKJZDHPGBWBUGI-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331745;MM331745;C#CC1CCC(C)(CN)O1;CUVYZEOZMLTHHT-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331746;MM331746;CC(CN)N=C(CN)NO;CPSCRNZNGGQBGF-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331747;MM331747;C#CC1CCC(C)(CO)O1;FDYLJZQTPHRRAK-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331748;MM331748;CCC(C)N=C(CO)NC;DOSWVVPHWMYENS-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331749;MM331749;C#CC1CCC(C)(CF)O1;NFYQNAGAMJFONN-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331750;MM331750;CNC(=NN)NC(C)CO;UVIAYKUQXQOPQD-UHFFFAOYSA-N;146.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331751;MM331751;C#CC1CCC(C)(OC)O1;HTDGNJFVTXJEBZ-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331752;MM331752;CC(CO)NC(=NN)NN;QCUMLLFUCFLRML-UHFFFAOYSA-N;147.18;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331753;MM331753;C#CC1OCC(C)(CC)O1;GXTAFUTWHRFYOJ-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331754;MM331754;CC(CF)NC(=NN)NN;NKOJHRHLMSRZKC-UHFFFAOYSA-N;149.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331755;MM331755;C#CC1OCC(C)(CN)O1;HQEPNCFEVAPYSW-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331756;MM331756;CCC(C)NC(=NC)NO;LBUZXNHUAXZCTF-UHFFFAOYSA-N;145.21;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331757;MM331757;C=CC1(C)CCC(CC)C1;OJQVEMBLHHJGFF-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331758;MM331758;CN=C(NO)NC(C)CN;ZNGXWQSKJFGLNH-UHFFFAOYSA-N;146.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331759;MM331759;C=CC1(C)CCC(CN)C1;DRZWDWCMKYMWNN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331760;MM331760;CNC(=NC=O)OCC=O;QINWJNGCJJFKIU-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331761;MM331761;C=C(CO)C(C)CC#CC;PLKSZGZDARLWDG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331762;MM331762;C#CC1(CC)CC1CCO;VEQQKCXHLHQUJY-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331763;MM331763;CC=C(CC)OC(C)CC;GYHKDOYSUWCPPI-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331764;MM331764;C=CC1(C)CCC(CF)C1;KGUVFXCRPUVQIE-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331765;MM331765;CC=C(CC)OC(C)CN;WSSBODWNWVDDKT-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331766;MM331766;CCC1CCC(C)(C=O)C1;LLPMGDAAGKRTRU-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331767;MM331767;CC=C(CC)OC(C)CO;YTKVDIQXUBVGRO-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331768;MM331768;CCC1CCC(C)(C#N)C1;OVBUFPZPHZMQME-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331769;MM331769;CC=C(CC)OC(C)CF;YTTOWXGELSGXCU-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331770;MM331770;C=CC(F)=CCCCCO;RUPPJBUQKWBPSD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331771;MM331771;CCC(=CF)OC(C)CC;OZEZQYCPHQOJJW-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331772;MM331772;N#CC(F)=CCCCCO;HXTCNBDCEVRVKQ-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331773;MM331773;CC=C(CN)OC(C)CC;VVWFEUSVBZHIEO-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331774;MM331774;CC1(C=O)CCC(CF)C1;VCALCVQFNJIQIQ-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331775;MM331775;CCC(C)OC(=CF)CN;FPWDDKJTSILQGQ-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331776;MM331776;CC1(C#N)CCC(CF)C1;OXLVILKRTSBFMJ-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331777;MM331777;CC=C(CO)OC(C)CC;IYZDZQHJNZCZJG-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331778;MM331778;C=CC1(N)CCC(CC)C1;ICIJKEJBRYXDPK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331779;MM331779;CC=C(CO)OC(C)CO;ZYKLCBBFJXCDTE-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331780;MM331780;C=CC1(N)CCC(CN)C1;BXQYLDLPGUEPEV-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331781;MM331781;CC=C(CF)OC(C)CC;QTGBKOUIKQZLJW-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331782;MM331782;C=CC1(N)CCC(CO)C1;NTBPXTSQDXXETD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331783;MM331783;CC=C(CF)OC(C)CN;UWJWVTXEAZODAU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331784;MM331784;C=CCCC(=CC)C(N)=O;KLGWSWCJRGWQLR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331785;MM331785;CC=C(CC)OC(C)OC;YZHNMNUZJWPXTH-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331786;MM331786;C=CC1(O)CCC(CN)C1;VUDMPSDCLPKTPG-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331787;MM331787;C=C1CC=C(CO)CC1=C;QNVJGFBYRFKQRY-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331788;MM331788;C=CC1(O)CCC(CF)C1;VZPYNBNYOSQEFK-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331789;MM331789;CCC(=NO)OC(C)CC;XRYUOLVPWWONBG-UHFFFAOYSA-N;145.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331790;MM331790;CCC1CCC(O)(C=O)C1;ZOFDTSRSABAJFO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331791;MM331791;CCC(=NO)OC(C)CN;XOCKZLZZEWILRC-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331792;MM331792;CCC1CCC(O)(C#N)C1;WOAKGMWDWWDQAX-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331793;MM331793;CCC(=NO)OC(C)CO;YNUXYNJZZIZMMK-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331794;MM331794;N#CC1(O)CCC(CO)C1;BMRCSAMAHPRIFW-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331795;MM331795;C=C1C=C(CO)CCC1=C;CDLCUXFRAIDWTF-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331796;MM331796;N#CC1(O)CCC(CF)C1;DHMREUSBFMPLFT-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331797;MM331797;C=C1C=C(CO)CCC1=O;BLSVBRRDCNEZBY-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331798;MM331798;C=CC1(F)CCC(CC)C1;DACQCWZWSONEGM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331799;MM331799;C#CC12C=C(CO)C(C1)C2;RQGHEQJKDHSNOH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331800;MM331800;C=CC1(F)CCC(CN)C1;HAKIDNRWTIRBAS-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331801;MM331801;C#CC1(CC2CC2O)CC1;UPFMDABDQGOMAV-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331802;MM331802;CC#Cc1onc(N)c1C;VMCSIQOSUPSGOQ-UHFFFAOYSA-N;136.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331803;MM331803;C=CC1(F)CCC(CO)C1;KBMMVQMWNCRGIS-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331804;MM331804;O=C(O)C(O)COCCO;SUNUEHNODIYGOL-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331805;MM331805;C=CC1(F)CCC(CF)C1;YRONAWSDQPKXBF-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331806;MM331806;CC1=C(C)C(=CO)N=N1;OFVBFXZZGQWADF-UHFFFAOYSA-N;124.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331807;MM331807;CCC1CCC(F)(C=O)C1;VQZIBJYPWMBOSC-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331808;MM331808;CCC(C)OC(=NC)NC;OETBYRXEDHLINC-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331809;MM331809;O=CC1(F)CCC(CO)C1;OYBJKNCNFCJBRX-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331810;MM331810;CN=C(NC)OC(C)CO;DLSWHZSZBZLENI-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331811;MM331811;N#CC1(F)CCC(CO)C1;UMJCOHRFODEVGH-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331812;MM331812;CNC(=NO)OC(C)CN;WDSBEDXDEBRWGC-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331813;MM331813;O=CC1(F)CCC(CF)C1;MIGAAARGAYPAHL-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331814;MM331814;C#CC#CCCC1CC1O;CUIGBNSXRTXPRQ-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331815;MM331815;N#CC1(F)CCC(CF)C1;VAWRPEXERSRCAP-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331816;MM331816;C#CC(C=O)C1CN1C=O;QLXYVNRTEYQPTP-UHFFFAOYSA-N;137.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331817;MM331817;C=CC1(C)CCC(NC)C1;FUZBBSAOOREQHJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331818;MM331818;CCCC=NNCCC=O;YQZUHIGNSLAATF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331819;MM331819;CNC1CCC(C)(C=O)C1;XDQSPHFGJWLPKA-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331820;MM331820;N#CCC=NNCCC=O;NCGVJGXPIQWIER-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331821;MM331821;CNC1CCC(C)(C#N)C1;ZPFCCAJIGXPDGZ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331822;MM331822;O=CCC#CC=NOC=O;IJNFSRKJUVKANM-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331823;MM331823;C=CC1(N)CCC(NC)C1;LOANXLDDWUTIBB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331824;MM331824;C=CCON=CCCC=O;ZWEWMWRKPOLHJZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331825;MM331825;C=CC1(O)CCC(NC)C1;FPTYCIKYNSHNMY-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331826;MM331826;C=Cc1cnc(NC)nc1;ZHALMFIAZCCZAA-UHFFFAOYSA-N;135.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331827;MM331827;CNC1CCC(O)(C=O)C1;PYWXMPIFIYYGDS-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331828;MM331828;CC1CC1CCO;JYQDYSFILRQPNU-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331829;MM331829;CNC1CCC(O)(C#N)C1;FQDOMTOIZLPUHS-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331830;MM331830;CC(CN)OC(=NO)NO;SXWKWVJSRMSRGQ-UHFFFAOYSA-N;149.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331831;MM331831;C=CC1(F)CCC(NC)C1;FKJKFHPDTQBWIS-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331832;MM331832;CC(CO)OC(=NO)NO;IMJVOGXLECEQHC-UHFFFAOYSA-N;150.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331833;MM331833;CC(CF)OC(=NO)NO;JKJFXQPQJNODCZ-UHFFFAOYSA-N;152.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331834;MM331834;CNC1CCC(F)(C#N)C1;OEPORJHPNUITNU-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331835;MM331835;CNC(=NO)OC(C)OC;IBNWNFTWMHHWRE-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331836;MM331836;C=CC1(C)CCC(OC)C1;ZUZVKUQCDVCMOA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331837;MM331837;C=C(CCO)C(C)C;XECQOLIOBNMTQA-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331838;MM331838;COC1CCC(C)(C=O)C1;IQMMNVDONXUUKH-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331839;MM331839;CC(C)=C(C)CCO;GJGGAZPKDCTKQF-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331840;MM331840;COC1CCC(C)(C#N)C1;XDKUKFIBLFHGHI-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331841;MM331841;C#CC(CC)CCO;QIGKFAJGWWBHCW-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331842;MM331842;C=CC1(N)CCC(OC)C1;AJNFEQHCMVDZEC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331843;MM331843;CC=C(CC)CCO;BKUZULFHUKNCGI-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331844;MM331844;C=CC1(O)CCC(OC)C1;DGASBSHERXHPGO-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331845;MM331845;C#CC1=CC(O)CC1;VGHJYMJWUYXYMO-UHFFFAOYSA-N;108.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331846;MM331846;COC1CCC(O)(C#N)C1;SYXSBIJHFRWGRT-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331847;MM331847;OCCC1=CCCC1;PITACPQSQRHIGV-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331848;MM331848;C=CC1(F)CCC(OC)C1;FUMFPIMXBHIXIA-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331849;MM331849;CCC(C)OC(=NO)OC;KDYPTDLTGSYSDY-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331850;MM331850;COC1CCC(F)(C=O)C1;IPEDAQOYZMBXRA-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331851;MM331851;COC(=NO)OC(C)CN;KRZCAEVNHBCIJM-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331852;MM331852;COC1CCC(F)(C#N)C1;PTBPFSWXDCIHJT-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331853;MM331853;C=CC1(C)CNC(CC)C1;MJNXSUBWLDVFJX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331854;MM331854;COC(=NO)OC(C)CO;NJORGFWSRRRZDC-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331855;MM331855;C=CC1(C)CNC(CN)C1;BFSFODUWDAZEAL-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331856;MM331856;CC=C(CC)CN(C)CC;NASCHSCOTFBASN-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331857;MM331857;C=CC1(C)CNC(CO)C1;HKASZSGVVBYGRM-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331858;MM331858;CCC(=CF)CN(C)CC;QUHXJUMESGAKNA-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331859;MM331859;CC=C(CN)CN(C)CC;KCLBBMHTTOWATF-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331860;MM331860;C=CC1(C)CNC(CF)C1;SOJWSDBUTMMHPC-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331861;MM331861;CC=C(CO)CN(C)CC;FIKDQOHMELMXSZ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331862;MM331862;CCC1CC(C)(C=O)CN1;UCJVXOQKCOVSIT-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331863;MM331863;CC=C(CF)CN(C)CC;OZJMJSUCSDKYOI-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331864;MM331864;CCC1CC(C)(C#N)CN1;MVAFVLHQTFUIDD-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331865;MM331865;CC=C(CN(C)CC)OC;RTNBPEXUUKBENF-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331866;MM331866;CC1(C=O)CNC(CO)C1;KEOQQJYBGXRTRC-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331867;MM331867;CCN(C)NC(=NC)NO;TVOJRGOAILEVIX-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331868;MM331868;CC1(C#N)CNC(CO)C1;XOGGRDMDCUUTJL-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331869;MM331869;CCN(C)NC(=NO)OC;IAFGNQQRZDVXJC-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331870;MM331870;CC1(C=O)CNC(CF)C1;YHNHUCLLZCBAOY-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331871;MM331871;C=CC(C)CC(=CC)CC;WAUONZBKMGSNEN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331872;MM331872;C=CC1(N)CNC(CC)C1;SKDBMFHWKNYAJC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331873;MM331873;CC=C(CC)CC(C)C=O;CJGMDFBJBNKUCO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331874;MM331874;C=CC1(N)CNC(CN)C1;OWAROPSXQHEVJS-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331875;MM331875;CC=C(CC)CC(C)C#N;XZMDJBNPNGAYEV-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331876;MM331876;C=CC1(N)CNC(CO)C1;OWYMLQYLHBHUBO-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331877;MM331877;C=CC(C)CC(=CC)CN;ODMNXKHZDMIFRD-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331878;MM331878;C=CC1(N)CNC(CF)C1;DCFDMGDOYOCDEV-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331879;MM331879;C=CC(C)CC(=CF)CN;VSUYZXMYOAMESL-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331880;MM331880;C=CC1(O)CNC(CC)C1;JPECTCVOCOMDBP-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331881;MM331881;C=NN=CCCC=O;ZPFUKYWCDCHPTQ-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331882;MM331882;C=CC1(O)CNC(CN)C1;JBOOUNISEZLPEN-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331883;MM331883;CC=C(CO)CC(C)C#N;WZFNKHFIJJYECU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331884;MM331884;C=CC1(O)CNC(CO)C1;KDDPVRZDSWTELC-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331885;MM331885;C=CC(C)CC(=CC)CF;QMMFTQOPHQAOQA-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331886;MM331886;O=CC1(O)CNC(CO)C1;XYTHKPPMXNNFTF-UHFFFAOYSA-N;145.16;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331887;MM331887;CC=C(CF)CC(C)C#N;XCWLXGDYLLZARL-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331888;MM331888;O=CC1(O)CNC(CF)C1;SYSDAJCFAJCTJM-UHFFFAOYSA-N;147.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331889;MM331889;C=CC(C)CC(=CF)CF;IVJIPEMPLIWYBM-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331890;MM331890;C=CC1(F)CNC(CC)C1;XEYGAPGOFIHAFG-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331891;MM331891;CC(C=O)CC(=CF)CF;UILPZQCKHFQPEH-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331892;MM331892;C=CC1(F)CNC(CN)C1;PXYUONBTONSBNZ-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331893;MM331893;C=CC(N)CC(=CC)CC;CEYSZCTYWSXHTH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331894;MM331894;C=CC1(F)CNC(CO)C1;NVIFOWKXBDYSPR-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331895;MM331895;C=CC(N)CC(=CF)CC;UECVQHKFGBCHJO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331896;MM331896;CCC1CC(F)(C=O)CN1;JWSJWMDAGHRJQY-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331897;MM331897;C=CC(N)CC(=CC)CO;JJQHQOLBEIPQFA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331898;MM331898;C=CC1(C)COC(CC)C1;UBVRCRLOZNRWQL-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331899;MM331899;C=CC(N)CC(=CC)CF;WPPPSKVXCBXDCS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331900;MM331900;C=CC1(C)COC(CF)C1;FQEKAIYUZFAQDZ-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331901;MM331901;C=CC(N)CC(=CF)CF;BDSPKVZAUHNLQB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331902;MM331902;CCC1CC(C)(C#N)CO1;AAXUCXSNPJWVIA-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331903;MM331903;CCC1CC1CCO;IPKMDCPNAOYUEB-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331904;MM331904;CC1(C#N)COC(CO)C1;HCPMZUHYBWYYMY-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331905;MM331905;CC=C(CC)CC(O)C=O;NGENPKCIGBQDMU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331906;MM331906;C=CC1(N)COC(CC)C1;JZEOGGFNUVUCEO-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331907;MM331907;CC=C(CC)CC(O)C#N;QRRHNIOJFQNGNC-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331908;MM331908;C=CC1(N)COC(CN)C1;FTNHNFAVGUXLOX-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331909;MM331909;C=CC(O)CC(=CF)CC;NABZQAXPCULICR-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331910;MM331910;C=CC1(O)COC(CC)C1;BKKLWMKRANWLFU-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331911;MM331911;CCC(=CF)CC(O)C#N;SKVUZVLSQFAXBH-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331912;MM331912;C=CC1(O)COC(CN)C1;CKOVMCUWGOYXMN-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331913;MM331913;CC=C(CO)CC(O)C#N;NEFYBWLJRKXNAX-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331914;MM331914;CCC1CC(O)(C#N)CO1;LLZPGDVIKLEKPM-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331915;MM331915;C=CC(O)CC(=CC)CF;UDOLMADVEQKVFW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331916;MM331916;C=CC1(F)COC(CC)C1;ZIQURHCYEYWOGF-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331917;MM331917;CC=C(CF)CC(O)C#N;GCIWBQQEKXHRCK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331918;MM331918;C=CC1(F)COC(CO)C1;NJJOFOMEOHRCDV-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331919;MM331919;C=CC(O)CC(=CF)CF;ONTJNOWCNMEIKQ-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331920;MM331920;CCC1CC(F)(C=O)CO1;MQJKZYYRGSXVML-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331921;MM331921;C=CC(F)CC(=CC)CC;YYWLMOBOEHTIRU-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331922;MM331922;O=CC1(F)COC(CO)C1;FGFNVZWYADRXBM-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331923;MM331923;CC=C(CC)CC(F)C=O;IEZIIIYGFFEHJJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331924;MM331924;N#CC1(F)COC(CO)C1;WQMCKFCFVNCJEI-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331925;MM331925;CC=C(CC)CC(F)C#N;CHJKODWKELVZFX-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331926;MM331926;C=CC1(F)COC(OC)C1;KXZOVEHYCGJJIM-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331927;MM331927;C=CC(F)CC(=CC)CN;JBMUYWLZVPDUDI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331928;MM331928;C=CC1(C)CC(CC)CN1;VOBSJLSIKSYLOF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331929;MM331929;C=CC(F)CC(=CF)CO;NZHHAFHFGLOHBR-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331930;MM331930;C=CC1(C)CC(CN)CN1;FBDLTSXFOQRUIH-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331931;MM331931;CC=C(CF)CC(F)C=O;OVDJZDOMNLPTFK-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331932;MM331932;C=CC1(C)CC(CO)CN1;RYMOCJSRVFSGDJ-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331933;MM331933;O=CC(F)CC(=CF)CF;VBYJZSOIIGBECM-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331934;MM331934;CC1(C=O)CC(CO)CN1;HJEAQZVCORZDMR-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331935;MM331935;C=CC(C)CC(CC)=NN;IEIAVMGKSUQCTE-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331936;MM331936;CC1(C=O)CC(CF)CN1;NVOAKKOWDCYCET-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331937;MM331937;C=CC(C)CC(CC)=NO;CVEQPDRPLXTIKL-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331938;MM331938;CNC1CNC(C)(C#N)C1;VWQWMGYASJJGSQ-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331939;MM331939;CCC(CC(C)C=O)=NO;VUUMIYQIHQQVSK-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331940;MM331940;C=CC1(C)CC(CN)CO1;DTMNWUPFIPOHMW-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331941;MM331941;C=CC(C)CC(CO)=NO;YQBXAUPSXIZLTC-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331942;MM331942;C=CC1(C)CC(CO)CO1;GBGVEDHSHCNDOC-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331943;MM331943;C=CC(O)CC(CC)=NO;GKYISZZCIJSUKI-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331944;MM331944;C=CC1(C)CC(CF)CO1;CQMANZQJXHVVPU-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331945;MM331945;CCC(CC(O)C=O)=NO;CHTDCFWPIJJAKS-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331946;MM331946;CCC1COC(C)(C=O)C1;AWARYTUYDZZIAT-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331947;MM331947;CCC(CC(O)C#N)=NO;CKJWWSONGMIDES-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331948;MM331948;CCC1COC(C)(C#N)C1;BPRYNKIUAAKNJD-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331949;MM331949;CCC(CC(F)C#N)=NO;VRNIJPQAJFWEHB-UHFFFAOYSA-N;144.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331950;MM331950;CC1(C=O)CC(CO)CO1;QRMMRKRSJABECM-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331951;MM331951;C=CC(C)CC(=NC)NC;KRAQDDDYCBNIAF-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331952;MM331952;CC1(C=O)CC(CF)CO1;QPXURVXRCYQFRT-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331953;MM331953;CN=C(CC(C)C=O)NC;JLWBCFMFXNVKHV-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331954;MM331954;CNC1COC(C)(C=O)C1;CEFVCUPHCNKMNO-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331955;MM331955;CN=C(CC(C)C=O)NO;NZXYQLDZTJUVOC-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331956;MM331956;C=CC1(C)CCC(CC)N1;HXRQNNFEPCMEBI-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331957;MM331957;C=CC(O)CC(=NO)NO;FVMXECXNBSCHII-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331958;MM331958;C=CC1(C)CCC(CN)N1;QWKVLBJJMPFFBD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331959;MM331959;O=CC(O)CC(=NO)NO;YLSMWMMUAAUSII-UHFFFAOYSA-N;148.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331960;MM331960;C=CC1(C)CCC(CO)N1;RNZRAFVITMZURG-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331961;MM331961;C=CC(F)CC(=NC)NC;CJLZJLUNFLEAFJ-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331962;MM331962;CCC1CCC(C)(C=O)N1;OYPLAAFWPQCKHX-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331963;MM331963;OCCC1CC1CO;GFUHTLRQBKYOBI-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331964;MM331964;CC=C(CC)CCCCO;YDHKPLDWDULYON-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331965;MM331965;C=CC(C)CC(=CC)OC;UIMLHCOVCJJIEJ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331966;MM331966;CC1(C#N)CCC(CF)N1;ABOCFNAHISKQSP-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331967;MM331967;CC=C(CC(C)C=O)OC;UKURINXVDHAFMQ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331968;MM331968;C=CC1(C)CCC(CC)O1;DVPIINWPSFQJCO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331969;MM331969;COC(=CF)CC(C)C#N;UAVDRJOARUIBQC-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331970;MM331970;C=CC1(C)CCC(CN)O1;QZSOJEFKIZMEIA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331971;MM331971;C=CC(N)CC(=CC)OC;ADFUQCYQOHHTCN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331972;MM331972;C=CC1(C)CCC(CO)O1;ZSOXJVPFLHZBIP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331973;MM331973;C=CC(O)CC(=CC)OC;ZOLXGMRNMYVZDK-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331974;MM331974;C=CC1(C)CCC(CF)O1;GSCCNRRTUMETIV-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331975;MM331975;CC=C(CC(O)C#N)OC;DRUOTDLDSBHZRS-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331976;MM331976;CCC1CCC(C)(C=O)O1;WNWKOIMULPENPE-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331977;MM331977;CC=C(CC(F)C=O)OC;BNMNNFQRMNZVQL-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331978;MM331978;CCC1CCC(C)(C#N)O1;TXHVZUAYVFYYQY-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331979;MM331979;OCCC1CC1CF;DQNOQCMNVHRCJE-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331980;MM331980;CC1(C=O)CCC(CO)O1;MMMNKUTZMBKPQN-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331981;MM331981;C=CC(C)CC(=NO)OC;UYFLJQGFWDGFHD-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331982;MM331982;CC1(C#N)CCC(CO)O1;COTDMDRUAIAKHI-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331983;MM331983;COC(CC(O)C=O)=NO;BDBWHZHJEQPRRJ-UHFFFAOYSA-N;147.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331984;MM331984;CC1(C=O)CCC(CF)O1;GAUWXJBDWFFFHY-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331985;MM331985;C=CC(F)CC(=NO)OC;VHCPJCSMVVPJMJ-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331986;MM331986;CC1(C#N)CCC(CF)O1;XWLIIPIICUUQIO-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331987;MM331987;C=CC(C)NC(CC)=NC;UHMSHYCMBBGSIX-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331988;MM331988;C=CC1(C)CCC(OC)O1;XGDJFXYGUOBUSM-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331989;MM331989;CCC(=NC)NC(C)C#N;OFQTUSNAIQPUTM-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331990;MM331990;COC1CCC(C)(C=O)O1;BTVQIPNECHOHKU-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331991;MM331991;C=CC(C)NC(CC)=NN;OVFDLAFRBBGMNU-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331992;MM331992;COC1CCC(C)(C#N)O1;FXAHXOVNGLGQRG-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331993;MM331993;C=C(CCO)C1CC1;IOWRRBOEMWNAEG-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331994;MM331994;C=CC1(C)COC(CC)O1;LZURHAYTKYTLHC-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331995;MM331995;NN=COC(=O)C(F)F;IXJTVNPBNBWZLG-UHFFFAOYSA-N;138.07;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331996;MM331996;C=CC1(C)COC(CN)O1;PTKSNUDJFXKKDE-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331997;MM331997;C=CC(C)NC(CN)=NC;SCNSZVZEGLBKCE-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331998;MM331998;C=CC1(C)COC(CO)O1;BGQJZNXXEWCYGM-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM331999;MM331999;CC=NOCC(C)C=O;ASRLICIYZSTXGK-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332000;MM332000;CCC1OCC(C)(C=O)O1;QVWPYXUNGSCDRP-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332001;MM332001;C=C(CCO)C(C)CC;JWMKMAYTWUHGRC-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332002;MM332002;CCC1OCC(C)(C#N)O1;PSZGBLQMAPXMDO-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332003;MM332003;CC(C#N)N=C(CF)NO;IQTNYGDOFFHZGV-UHFFFAOYSA-N;145.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332004;MM332004;C=CC1(C)OCC(CN)O1;LGHRLUIXWGFABB-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332005;MM332005;CN=C(NC)NC(C)C=O;UWOYIYHWLACMIF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332006;MM332006;C=CC1(C)OCC(CO)O1;ANDVFJQUZNEKRC-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332007;MM332007;CCC(C)=C(C)CCO;QCXPLPTVZLYZMA-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332008;MM332008;C=CC1(C)OCC(CF)O1;IWNKMPOOTALUBR-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332009;MM332009;C=CC(C)NC(=NN)NN;ZENFTOJTWORSDF-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332010;MM332010;C=CC1(C)CCN(CC)C1;FIJFGSHDTLXICX-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332011;MM332011;C=CC(C)NC(=NC)NO;RJLUIFOLHWAMOD-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332012;MM332012;C=CC1(N)CCN(CC)C1;RHDAEXCICCCYDF-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332013;MM332013;CN=C(NO)NC(C)C=O;CCJCYPULSWKJKR-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332014;MM332014;C=CC1(O)CCN(CC)C1;FFNYSIDZTBCZAH-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332015;MM332015;CC(CF)=C(C)CCO;CLGQHHIXXHWIMB-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332016;MM332016;CCN1CCC(O)(C=O)C1;YJFOHSSERXUHOJ-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332017;MM332017;C#CC(CCC)CCO;NGGLKCUDRSEGSF-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332018;MM332018;C=CC1(F)CCN(CC)C1;OVEVNFGEZPAPTL-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332019;MM332019;COC(=NO)NC(C)C#N;JHEVULFNAUHAGD-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332020;MM332020;CCN1CCC(F)(C#N)C1;OFDJVHWNHRIWJS-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332021;MM332021;C=CC(C)OC(=CC)CC;IIBNKUUDXHDGSR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332022;MM332022;C=CC1CCC(C)(C=C)C1;LSOHMCQDQPMXDZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332023;MM332023;CC=C(CC)OC(C)C=O;JFFJWMFXVYIWMC-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332024;MM332024;C=CC1(C)CCC(C=O)C1;PLCLRDRYPJTCMN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332025;MM332025;CC=C(CC)OC(C)C#N;KNQQZPIXLUCCHE-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332026;MM332026;C=CC1(C)CCC(C#N)C1;UNFAKPJWPJPOEF-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332027;MM332027;CCC(=CF)OC(C)C=O;RXZIQVDNYBTCRN-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332028;MM332028;C=CC1CCC(C)(C=O)C1;KSOFDJQSOGWYDI-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332029;MM332029;C=CC(C)OC(=CC)CN;IRDXYFWFRZCQIZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332030;MM332030;C=CC1CCC(C)(C#N)C1;TYSSIUFNYXJRRN-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332031;MM332031;C=CC(C)OC(=CC)CO;ZOZILXSBVRNFKU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332032;MM332032;CC1(C=O)CCC(C#N)C1;DGBFPMIXDPRRKX-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332033;MM332033;CC=C(CO)OC(C)C=O;HCYPLGGFJMBFAR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332034;MM332034;CC1(C#N)CCC(C=O)C1;FAMGYDUTQJEYGG-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332035;MM332035;CC=C(CO)OC(C)C#N;FTWVZJRYWYSKGL-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332036;MM332036;CC1(C#N)CCC(C#N)C1;DHABJLKFIUKCHI-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332037;MM332037;C=CC(C)OC(=CF)CO;SCTTZIWAJXIBCR-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332038;MM332038;C=CC1CCC(N)(C=C)C1;ABWARFUTKASWJY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332039;MM332039;C=CC(C)OC(=CC)CF;NVNNTLFKWGEKKQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332040;MM332040;CCC(=CF)CCCCO;OKFIVENMAIRLMZ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332041;MM332041;C#CC(C#CC)C(C)O;RYBFJSHVKBQATL-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332042;MM332042;C=CC1(O)CCC(C#N)C1;MQNGNBHBRLHGPF-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332043;MM332043;C=CC(C)=CC1CC1O;ZTGCIWFHFRMXQP-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332044;MM332044;C=CC1CCC(O)(C=O)C1;PCTBMLJPSVLEGK-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332045;MM332045;C=CC(C)OC(=NC)NC;NUPKPVQYEGSIHX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332046;MM332046;C=CC1CCC(O)(C#N)C1;CRGYFTOGPBYMID-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332047;MM332047;CNC(=NO)OC(C)C=O;SFGHTRCWCUFBNK-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332048;MM332048;O=CC1CCC(O)(C=O)C1;YCLLGWBPAYAPLD-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332049;MM332049;CNC(=NO)OC(C)C#N;OTDHNYZQCAEXRX-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332050;MM332050;N#CC1(O)CCC(C=O)C1;JAXNLGNMVSSBGH-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332051;MM332051;CC(C=O)=CC1CC1O;IJERDIZMDLGSBC-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332052;MM332052;N#CC1CCC(O)(C#N)C1;NXESQXMGZVOLNC-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332053;MM332053;C=CC(C)OC(=NO)NO;RJJBQHBLFQNNJK-UHFFFAOYSA-N;146.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332054;MM332054;C=CC1CCC(F)(C=C)C1;MCCCFIJWCOWBFN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332055;MM332055;CC(C=O)OC(=NO)NO;IHQIRWOQCKFAGH-UHFFFAOYSA-N;148.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332056;MM332056;C=CC1(F)CCC(C=O)C1;IXJQMTPVYQGPEE-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332057;MM332057;COC(=NO)OC(C)C=O;ANVHRHXXOBVSQD-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332058;MM332058;C=CC1(F)CCC(C#N)C1;IITPTEHCBTXNNL-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332059;MM332059;CC=C(CC)CN(C)C=N;ABYUXJOATOEBGY-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332060;MM332060;C=CC1CCC(F)(C=O)C1;HHFDQWRSJOVINJ-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332061;MM332061;CC=C(CC)CN(C)C=O;KUJCXQLORFHHBQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332062;MM332062;C=CC1CCC(F)(C#N)C1;AWGCPZVTVSLYSE-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332063;MM332063;CCC(=CF)CN(C)C=N;XGERYMSCQIZCIQ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332064;MM332064;N#CC1CCC(F)(C=O)C1;GGTKCEXWIAFDMW-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332065;MM332065;CCC(=CF)CN(C)C=O;BATUVXISIWOKFJ-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332066;MM332066;N#CC1(F)CCC(C=O)C1;NYTKFJYNMWWZHB-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332067;MM332067;CC=C(CN)CN(C)C=N;SWEDNGMOBLHQHO-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332068;MM332068;N#CC1CCC(F)(C#N)C1;GPIQIPWZXMBBBM-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332069;MM332069;CC=C(CN)CN(C)C=O;KXFFZWYBPFCFDX-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332070;MM332070;C=CC1CC(C)(C=C)CN1;NJALXJQQJKZWPW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332071;MM332071;CN(C=N)CC(=CF)CN;PINXKYWJHFNSHO-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332072;MM332072;C=CC1CC(C)(C=O)CN1;OKZMNDORQLDODQ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332073;MM332073;CN(C=O)CC(=CF)CN;NTQALGXITNCBIQ-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332074;MM332074;CC1(C=O)CNC(C#N)C1;MNGLLEWCAHSYGI-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332075;MM332075;CC=C(CO)CN(C)C=N;DDFNBNIZCJBEPQ-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332076;MM332076;CC1(C#N)CNC(C#N)C1;AKLKRBQCTURUII-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332077;MM332077;CC=C(CF)CN(C)C=N;YMWFODDIMQVORO-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332078;MM332078;C=CC1CC(N)(C=C)CN1;GLCJSEIXNPBUGF-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332079;MM332079;CC=C(CF)CN(C)C=O;AITYJRQCQSTKDR-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332080;MM332080;C=CC1CC(O)(C=C)CN1;XRFYHCYCJVTUNF-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332081;MM332081;CC=C(CC)CN(N)C=N;SGPDLICWQJNPTA-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332082;MM332082;CC=C(CF)CCCCO;ISKAIRXOBIIGHY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332083;MM332083;C=CC1CC(O)(C=O)CN1;WPUQCYYHOJNXEW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332084;MM332084;CC=C(CC)CN(N)C=O;RHHDUOATZFELDX-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332085;MM332085;OCCCCC(=CF)CF;PIRLPNBOQKFCSF-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332086;MM332086;CCC(=CF)CN(N)C=O;PGWVEDBQYSRVAL-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332087;MM332087;CCC(CCCCO)=NN;MNDMVVIJMDUZRY-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332088;MM332088;CC=C(CO)CN(N)C=N;AFAAYNOLMUEIIV-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332089;MM332089;C=CC1CC(F)(C=C)CN1;BYNCWAICBUICCV-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332090;MM332090;C=NNC1=CC(=O)CC1;MBWODXDAXCENNG-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332091;MM332091;C=CC1(F)CNC(C#N)C1;JNNHWFPBAGIBAS-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332092;MM332092;CC=C(CF)CN(N)C=N;CELXMIRPKQBPLX-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332093;MM332093;N#CC1CC(F)(C=O)CN1;HUUQAZDSRPPIEH-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332094;MM332094;N=CN(N)CC(=CF)CF;BBRYAHDBERIJNJ-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332095;MM332095;N#CC1CC(F)(C#N)CN1;GBPPUNJJZZUATE-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332096;MM332096;NN(C=O)CC(=CF)CF;CZSSLOQTGZMACV-UHFFFAOYSA-N;150.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332097;MM332097;C=CC1CC(C)(C=C)CO1;JYACPPLDBGSKHY-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332098;MM332098;CC=C(CN)CN(O)C=N;VMFKZRCKZPEYAR-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332099;MM332099;C=CC1(O)COC(C#N)C1;FUIJZSHSQWKIRQ-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332100;MM332100;C=NN(C)CC(=CC)CC;YPTBCDBBRXVHJX-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332101;MM332101;N#CC1CC(O)(C#N)CO1;UBKNXLUUSDKUNN-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332102;MM332102;C=NN(C)CC(=CF)CC;GMJTXZKTTUDHOL-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332103;MM332103;C=CC1CC(F)(C=C)CO1;SXGIEPUABUXYBX-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332104;MM332104;C=NN(C)CC(=CC)CF;MYYQLCZOZCBKFJ-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332105;MM332105;C=CC1(F)COC(C#N)C1;JEZNDHUBSKNAQT-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332106;MM332106;C=NN(C)CC(=CF)CF;XUIZTPAKCOBOLH-UHFFFAOYSA-N;148.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332107;MM332107;C=CC1CC(F)(C=O)CO1;PGWHEABJJWJPLX-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332108;MM332108;CCC(CN(C)C=N)=NN;WVTBFANPLICUQX-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332109;MM332109;N#CC1CC(F)(C=O)CO1;LXDHZVYELUWMBP-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332110;MM332110;CCC(CN(C)C=O)=NN;JUWADQSZLKIIPI-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332111;MM332111;C=CC1CNC(C)(C=C)C1;MNMXFSSENQPNNV-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332112;MM332112;CCC(CN(C)C=N)=NO;YULZGNTYLBAIQN-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332113;MM332113;C=CC1(C)CC(C=O)CN1;PTIKDAUWFGUPQJ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332114;MM332114;CN(C=N)CC(CO)=NN;QKJXJTWNTBESAU-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332115;MM332115;C=CC1CNC(C)(C=O)C1;OFODQKFIJRRUJE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332116;MM332116;C=C1C(CO)=CCC1C;VNAGATMHNJMVGN-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332117;MM332117;COC(=CF)CCCCO;ONLVNTGMGGYOBO-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332118;MM332118;CC1(C#N)CC(C#N)CN1;XMMWFGPFRLRSKJ-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332119;MM332119;CCC(CN(N)C=O)=NO;GHIBVTJAVFFDCX-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332120;MM332120;C=CC1COC(C)(C=C)C1;MFUQYABBRLSKLK-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332121;MM332121;N=CN(N)CC(CO)=NN;KXBHPNLZJIVQAK-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332122;MM332122;C=CC1(C)CC(C#N)CO1;SMUTYMIZEREDJV-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332123;MM332123;N=CN(N)CC(CF)=NN;PAXJMRUAVUVRNT-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332124;MM332124;C=CC1COC(C)(C=O)C1;BJOGRNKORGOVAL-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332125;MM332125;NC(=O)C#CCCC(=O)O;JDYACTHBJUNOOU-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332126;MM332126;C=CC1COC(C)(C#N)C1;BOCNTBUQPZNVGK-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332127;MM332127;C#Cc1onc(N)c1C;QHGOOIIXAFMBLT-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332128;MM332128;CC1(C#N)CC(C=O)CO1;BFMSKPKHKINEIE-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332129;MM332129;C=NN(C)CC(CF)=NN;NVSOWDHXYGXEHC-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332130;MM332130;C=CC1CCC(C)(C=C)N1;OWGXTMDZTDFKRV-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332131;MM332131;CCCC1CC1CCO;KGFLLFQRLJUVAX-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332132;MM332132;C=CC1(C)CCC(C=O)N1;DFCRHHQXKKPYPW-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332133;MM332133;CN=C(CN(N)C=N)NN;BIZRSQXYUQWTIE-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332134;MM332134;C=CC1(C)CCC(C#N)N1;BVPQAGXWCRBQQC-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332135;MM332135;CN=C(CN(N)C=N)NO;YPAFBOIKIXKQRL-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332136;MM332136;C=CC1CCC(C)(C=O)N1;RLBAWANEKIJCRV-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332137;MM332137;N=CN(N)CC(=NN)NO;RXPRTBKEEOHPGB-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332138;MM332138;C=CC1CCC(C)(C#N)N1;WPZBDKNGEXDIAT-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332139;MM332139;N=CN(N)CC(=NO)NO;SCYPJVBDZWDNBG-UHFFFAOYSA-N;147.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332140;MM332140;CC1(C=O)CCC(C#N)N1;NYGHOTBOGBCPHK-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332141;MM332141;CN=C(CN(O)C=N)NC;ORQRHQFWUZQZGK-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332142;MM332142;CC1(C#N)CCC(C#N)N1;KHEUDHCJLPIWCT-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332143;MM332143;OCCC1CC1CCO;LKRXDYSBUDKIQM-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332144;MM332144;C=CC1CCC(C)(C=C)O1;BYXCYPBKZWWZIN-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332145;MM332145;C=NN(C)CC(=NO)NO;UNHCWESLTINFHB-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332146;MM332146;C=CC1(C)CCC(C=O)O1;LRSUYELKLQMRQE-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332147;MM332147;CC=C(CN(C)C=N)OC;WASXAVMCZXIMBJ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332148;MM332148;C=CC1(C)CCC(C#N)O1;QRTDNJQEEYTRLX-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332149;MM332149;CC=C(CN(C)C=O)OC;UIMTVVTXYRNLIJ-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332150;MM332150;C=CC1CCC(C)(C=O)O1;MGQLZZBETSKFPV-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332151;MM332151;COC(=CF)CN(N)C=N;JQICLDFBAWMCEY-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332152;MM332152;C=CC1CCC(C)(C#N)O1;IWYVYYVDHPNTFO-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332153;MM332153;C=NN(C)CC(=CC)OC;METOSFQKIOUYON-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332154;MM332154;CC1(C=O)CCC(C=O)O1;FGIBMDFGVHHIJE-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332155;MM332155;C=NN(C)CC(=CF)OC;MYPRZTMGBOHCQI-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332156;MM332156;CC1(C=O)CCC(C#N)O1;LMJKIFMOJJACMO-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332157;MM332157;COC(CN(C)C=N)=NN;VMURTIKLHRNTBK-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332158;MM332158;CC1(C#N)CCC(C=O)O1;YARVMOPKPSCTRP-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332159;MM332159;OCCC1CC1CCF;BNSAMKSADLELAA-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332160;MM332160;CC1(C#N)CCC(C#N)O1;KXTCKGCDDCFYTO-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332161;MM332161;COC(CN(N)C=N)=NN;LDOHYQJSZOZFQD-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332162;MM332162;C=CC1OCC(C)(C=C)O1;BSWVSYUSPJCZHD-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332163;MM332163;C=CCC1CC1CCO;CRLSOLFPEOAOHG-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332164;MM332164;C=CC1(C)COC(C=O)O1;ZERMAYKEBKHRJD-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332165;MM332165;O=CCC1CC1CCO;KOFJISBKQGQJPX-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332166;MM332166;C=CC1(C)COC(C#N)O1;JMBSQIURSCMGDG-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332167;MM332167;CCC(=NC)NN(C)C=N;PSYDFTASMHHTNF-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332168;MM332168;C=CC1OCC(C)(C#N)O1;JLKOEVFHTHXUEW-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332169;MM332169;CCC(=NC)NN(C)C=O;FDJSXRHMNNCIGH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332170;MM332170;CC1(C=O)COC(C#N)O1;PEVTZKIIQDCNER-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332171;MM332171;CCC(=NO)NN(C)C=N;HNMZSKOCKMMNKH-UHFFFAOYSA-N;144.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332172;MM332172;CC1(C#N)COC(C=O)O1;HOBASYTWIIYMJJ-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332173;MM332173;CN=C(CN)NN(C)C=N;UGGJWUZUDDUUJS-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332174;MM332174;CC1(C#N)COC(C#N)O1;VKDKPBADWRRFPJ-UHFFFAOYSA-N;138.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332175;MM332175;CN=C(CO)NN(C)C=N;BUXHPXZXUSWSHT-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332176;MM332176;C=CC1COC(C)(C=C)O1;CUXGSXDALSGUOT-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332177;MM332177;CN(C=N)NC(CO)=NN;VTIOYWTUQUAVFK-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332178;MM332178;C=CC1COC(C)(C#N)O1;YWCPBNFQLJWJHR-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332179;MM332179;CN(C=N)NC(CF)=NN;IBRFWSFFSHBRNL-UHFFFAOYSA-N;147.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332180;MM332180;CC1(C=O)OCC(C=O)O1;BEJCDMFIXJZRGV-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332181;MM332181;N#CCC1CC1CCO;XVNCUQFUQXZQRU-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332182;MM332182;CC1(C#N)OCC(C=O)O1;QFPFCGZNGXNLNS-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332183;MM332183;CNC(=NN)NN(C)C=O;VGKJVIIRSHEPEH-UHFFFAOYSA-N;145.17;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332184;MM332184;C=CC1(C)CCN(C=N)C1;VCNZCFHWJFNQCC-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332185;MM332185;CN(C=O)NC(=NN)NN;WLLCDEALQJBVFX-UHFFFAOYSA-N;146.15;-2.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332186;MM332186;C=CC1(C)CCN(C=O)C1;HJUXJBZZCHTJHI-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332187;MM332187;CN=C(NO)NN(C)C=O;PPGPXODSPZPRIB-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332188;MM332188;CC1(C=O)CCN(C=N)C1;IPLRZJJVOVYEKL-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332189;MM332189;CN=C(NN(C)C=N)OC;PFFNARBDSIEPCJ-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332190;MM332190;CC1(C#N)CCN(C=N)C1;FOFLPDDQZPKSSH-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332191;MM332191;CN=C(NN(C)C=O)OC;SHBKOHLXVSKLOC-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332192;MM332192;CC1(C=O)CCN(C=O)C1;RNBOLWWLEZCVFT-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332193;MM332193;CC1(C#N)CCN(C=O)C1;HGEBPVBTXWDOBR-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332194;MM332194;N#CCn1ncc(O)n1;DMUYGDKGYADPRO-UHFFFAOYSA-N;124.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332195;MM332195;C=CC1(N)CCN(C=N)C1;MQLAKIXJHMRAGJ-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332196;MM332196;C#CCC1CC1CCO;GMCMEAHRACNTML-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332197;MM332197;C=CC1(N)CCN(C=O)C1;HMJAXKYTTQGRQD-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332198;MM332198;CNC(=NO)ON(C)C=O;ACAWMGRRAJNXHY-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332199;MM332199;C=CC1(O)CCN(C=N)C1;TXZISXGEJKSMQY-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332200;MM332200;CC(O)C1CC1CCO;FNMIGAFDNLMVLF-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332201;MM332201;C=CC1(O)CCN(C=O)C1;HOVQVCAHEFFNTF-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332202;MM332202;C#CC(C)CC(=CC)CC;RMSKVMOAFNDQPO-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332203;MM332203;N=CN1CCC(O)(C=O)C1;BQCOJMKGEUWIFD-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332204;MM332204;C#CC(C)CC(=CC)CN;LDQZXIOOFJDJTM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332205;MM332205;N#CC1(O)CCN(C=N)C1;QUBMKQFDMNVIES-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332206;MM332206;C#CC(C)CC(=CF)CN;SHUZYVZPSWJOFQ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332207;MM332207;N#CC1(O)CCN(C=O)C1;NVYDJJMNQDLLEP-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332208;MM332208;CC(F)C1CC1CCO;MUILRMWYRKLCCN-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332209;MM332209;C=CC1(F)CCN(C=N)C1;PHHQHAWOULIEOC-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332210;MM332210;C#CC(C)CC(=CC)CF;NXPDULQMYFMSDC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332211;MM332211;C=CC1(F)CCN(C=O)C1;OVYVBPNKHPVCNT-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332212;MM332212;C#CC(N)CC(=CC)CC;JUXOMIUDCNYZAS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332213;MM332213;N=CN1CCC(F)(C=O)C1;WJWYWZDIUDMYLO-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332214;MM332214;C#CC(N)CC(=CF)CC;CCPCOVPVCGXZMT-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332215;MM332215;N#CC1(F)CCN(C=N)C1;SELGJSPJTBSEOY-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332216;MM332216;C#CC(N)CC(=CF)CN;VACHJUQZIPPMOF-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332217;MM332217;O=CN1CCC(F)(C=O)C1;AAFIVOWSYQSDTI-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332218;MM332218;C#CC(N)CC(=CC)CO;IXYNCEBNWCPLJZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332219;MM332219;N#CC1(F)CCN(C=O)C1;BIWFHGGQYFPCOS-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332220;MM332220;C#CC(N)CC(=CC)CF;HUXSJYQAUSWYTD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332221;MM332221;C=CC1(C)CCN(N=C)C1;LUJBCWKHLYLOCG-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332222;MM332222;C#CC(O)CC(=CC)CC;SKXBCMAEFBOMKP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332223;MM332223;C=NN1CCC(C)(C=O)C1;GAYHACCHIHQNKK-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332224;MM332224;C#CC(O)CC(=CC)CF;YEDCUYGRIBOOGQ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332225;MM332225;C=NN1CCC(C)(C#N)C1;ANZHQHNGDGSUKV-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332226;MM332226;C#CC(O)CC(=CF)CF;VNUUJYSGRZQWSY-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332227;MM332227;C=CC1(N)CCN(N=C)C1;AYSMPGSWNMBKAU-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332228;MM332228;C#CC(F)CC(=CC)CC;BUMKBEJMCPUOPP-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332229;MM332229;C=CC(=CC)CCCCO;MKNYEMNATSYHBC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332230;MM332230;C#CC(F)CC(=CC)CN;SOPQTXDFVBMLPF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332231;MM332231;C=CC(=CF)CCCCO;QDAFTIKQWQPUPH-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332232;MM332232;C#CC(F)CC(=CC)CO;CMWKCAGEFCCOFL-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332233;MM332233;CC=C(C=O)CCCCO;OKQVPBZKWGOTTE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332234;MM332234;C#CC(F)CC(=CF)CF;HRRYCAAIWCSTBK-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332235;MM332235;C=CC1(F)CCN(N=C)C1;OKBQKPHMXBVYQS-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332236;MM332236;C#CC(C)CC(CC)=NN;YKIPIWZCRLSRMO-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332237;MM332237;C=NN1CCC(F)(C=O)C1;HZPGQUJLUFBEJD-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332238;MM332238;C#CC(C)CC(CC)=NO;OBYNKRZGADZYHP-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332239;MM332239;C=CC1(C)CNN(C=N)C1;BYVPHQCOBRQSJW-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332240;MM332240;C#CC(C=CC=C)CO;APDDYYUWQOTQDD-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332241;MM332241;C=CC1(C)CNN(C=O)C1;GBQVKVCWDNHIAM-UHFFFAOYSA-N;140.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332242;MM332242;CNc1ccc(CF)[nH]1;OYADHUMEQCDQHP-UHFFFAOYSA-N;128.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332243;MM332243;CC1(C=O)CNN(C=N)C1;XEVITFZUGJOGAT-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332244;MM332244;C#CC(F)CC(CC)=NN;HEDLEGVWDQVAIS-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332245;MM332245;CC1(C#N)CNN(C=N)C1;SSBDEQULIQEFQF-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332246;MM332246;C#CC(CO)CC1CC1;TUXGGJNLNRDZGN-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332247;MM332247;CC1(C=O)CNN(C=O)C1;WYKBKWPLGNYUGR-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332248;MM332248;C#CC(C)CC(=NC)NC;JYGXPQKHEHKWBO-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332249;MM332249;CC1(C#N)CNN(C=O)C1;GVYIDTDSDDSJGV-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332250;MM332250;CC=NN=CCCC=O;IGLOJUKDVFKASX-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332251;MM332251;C=CC1(N)CNN(C=N)C1;UEIMTYHCUAJTHV-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332252;MM332252;C#CC(C)CC(=NO)NO;FCGKFKWPZYRCMZ-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332253;MM332253;C=CC1(O)CNN(C=N)C1;ZATRLVLWYUHUMK-UHFFFAOYSA-N;141.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332254;MM332254;C#CC(N)CC(=NC)NC;NYVLDBWZHWRYFS-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332255;MM332255;CC=C(C#N)CCCCO;DGVCHAILAUPDSJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332256;MM332256;CON=CC#CCC=O;HPGZRIVYXKDQEI-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332257;MM332257;N#CC1(O)CNN(C=N)C1;ORCNXMSVSOODKC-UHFFFAOYSA-N;140.15;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332258;MM332258;C#CC(O)CC(=NO)NO;SLHFDCXKIRJZBT-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332259;MM332259;O=CC(=CF)CCCCO;CNTFIZKIMXYORT-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332260;MM332260;C#CC(F)CC(=NC)NC;KJOWVYDUMQIMIY-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332261;MM332261;N#CC1(O)CNN(C=O)C1;VIUHAZFFAIXWAN-UHFFFAOYSA-N;141.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332262;MM332262;C#CC(C)CC(=CC)OC;SVRPTPDAHAYKRV-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332263;MM332263;C=CC1(F)CNN(C=N)C1;OWHGZLVZKAYBKE-UHFFFAOYSA-N;143.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332264;MM332264;C#CC(O)CC(=CF)OC;RBMQSUUHOAGHFG-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332265;MM332265;C=CC1(F)CNN(C=O)C1;HCHRGCDJYKMIKU-UHFFFAOYSA-N;144.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332266;MM332266;C#CC(F)CC(=CC)OC;GWDOGYCDICTVNR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332267;MM332267;N=CN1CC(F)(C=O)CN1;YXKZPEVVBHNCIY-UHFFFAOYSA-N;145.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332268;MM332268;C=C(CC(N)=O)C(C)(C)C;SVZUEIXJPTZYGZ-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332269;MM332269;N#CC1(F)CNN(C=N)C1;QZVURBFYTZKMCN-UHFFFAOYSA-N;142.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332270;MM332270;C#CC(C)CC(=NO)OC;FXDWAKWVVRBONQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332271;MM332271;O=CN1CC(F)(C=O)CN1;OTRKHTMFVVQYAG-UHFFFAOYSA-N;146.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332272;MM332272;C=C(CC(N)=O)CC(C)C;NMYWGHCIEFTWPD-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332273;MM332273;N#CC1(F)CNN(C=O)C1;MWPLLQYIDVKDHX-UHFFFAOYSA-N;143.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332274;MM332274;C#CC(O)CC(=NO)OC;GFCYYTTZSWOOOB-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332275;MM332275;C=CC1(C)CON(C=O)C1;AUWGIATUTNXZNI-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332276;MM332276;C#CC(C)NC(CC)=NC;PIFDTYRSOOSNBN-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332277;MM332277;CC1(C#N)CON(C=O)C1;LMKIAZNAKVEHNQ-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332278;MM332278;CC(=CC(C)C)CC(N)=O;XSQHQTIYPUPLMW-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332279;MM332279;C=CC1(O)CON(C=O)C1;MDNMEINPKLDUIN-UHFFFAOYSA-N;143.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332280;MM332280;C=CC(C)(C)C(C)C(N)=O;KLMWZQSPRFLEBO-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332281;MM332281;O=CN1CC(O)(C=O)CO1;DRYXJICNGCTLOO-UHFFFAOYSA-N;145.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332282;MM332282;C=CC(C)(C)C=CC(N)=O;AUIKYLMMYYYXGR-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332283;MM332283;N#CC1(O)CON(C=O)C1;HFDJLXXCQIGHJF-UHFFFAOYSA-N;142.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332284;MM332284;C#CC(C)NC(=NC)NC;YDFXPDCYPGTCRM-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332285;MM332285;C=CC1(F)CON(C=O)C1;YKAWBPORZXAEFW-UHFFFAOYSA-N;145.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332286;MM332286;C#CC(C)NC(=NN)NN;MQQSWBPURGHNDB-UHFFFAOYSA-N;141.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332287;MM332287;O=CN1CC(F)(C=O)CO1;FKRRONATDZDZMD-UHFFFAOYSA-N;147.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332288;MM332288;CC(C)=CCC=CC(N)=O;WKQZFJNRPVHQLW-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332289;MM332289;C=CC1(C)CCN(C=N)N1;JHWPPGIKKPCXDK-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332290;MM332290;C#CC(C)OC(=CC)CC;VVERCNQNAVLAHQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332291;MM332291;C=CC1(C)CCN(C=O)N1;NCEFODXTKXDRBS-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332292;MM332292;C#CC(C)OC(=CF)CC;CMIHEZSYXRHKRT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332293;MM332293;CC1(C=O)CCN(C=N)N1;ASNXDZMXQHTUGC-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332294;MM332294;C#CC(C)OC(=CC)CN;HXELSSCMYCVOJY-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332295;MM332295;CC1(C#N)CCN(C=N)N1;ZACIMSCTQIKZLN-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332296;MM332296;CC1(C=O)CCN(C=O)N1;ULYADCVKFGXJEU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332297;MM332297;C#CC(C)OC(=CF)CN;LPDUDOBYMPUIIS-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332298;MM332298;CC1(C#N)CCN(C=O)N1;KCQNLYPNMVTOCL-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332299;MM332299;C#CC(C)OC(=CC)CO;FZGYEACJTLXRMD-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332300;MM332300;C=CC1(C)CCN(C=O)O1;PVBNQMSECZMREA-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332301;MM332301;C#CC(C)OC(=CF)CO;LXJUNUMAZLZRDZ-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332302;MM332302;CC1(C#N)CCN(C=O)O1;HQQVFKBCAJDEEZ-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332303;MM332303;C=C(CCCC)CC(N)=O;YDSVCRQYBKEBDN-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332304;MM332304;C#CC1CCC(C)(C=C)C1;YBIVLJIVYFLSFC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332305;MM332305;C#CC(C)OC(CC)=NO;FWHQODZITPWVAD-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332306;MM332306;C#CC1CCC(C)(C=O)C1;XPXBKIKHNJYXIR-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332307;MM332307;CCCC=C(C)CC(N)=O;NSRPQLGJYMPEDW-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332308;MM332308;C#CC1CCC(C)(C#N)C1;LLZNOOFAVWEDFF-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332309;MM332309;CC(=NN)N=C(N)C(=O)O;MSQBVUWPLTVNTC-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332310;MM332310;C#CC1CCC(N)(C=C)C1;SOVGQJNODRDQRZ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332311;MM332311;C#CC(C)OC(=NC)NC;TZISXANLTQETTB-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332312;MM332312;N#CC(=CF)CCCCO;KKEQNLNCJNSIFP-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332313;MM332313;C=CCC(C)C=CC(N)=O;CQGUJOMOZFOMHT-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332314;MM332314;C#CC1CCC(O)(C=O)C1;ROWNTEGPPMPCAQ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332315;MM332315;CC=CC(C)C=CC(N)=O;FIDHLJQTLARJSW-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332316;MM332316;C#CC1CCC(O)(C#N)C1;OSZNGXDFAZXFNW-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332317;MM332317;C#CC(C)OC(=NO)OC;OEVROENWPREXPS-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332318;MM332318;C#CC1CCC(F)(C=C)C1;SWXJDFNLPZPNEA-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332319;MM332319;C=CC(=CC)CC(C)CC;VBKFSOKIYJXVNV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332320;MM332320;C#CC1CCC(F)(C#N)C1;ZVXGUUZJNRHGJA-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332321;MM332321;C=CC(=CC)CC(C)CN;PRMBNIVAIXXEJA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332322;MM332322;C#CC1CC(C)(C=C)CN1;ZTINTEVESWBCML-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332323;MM332323;CCCC(C)=CCC(N)=O;ASOIXAOYBGTVGO-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332324;MM332324;C#CC1CC(N)(C=C)CN1;GQOHNUYKEMESBR-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332325;MM332325;C=CC(=CC)CC(C)CF;QLVOHIKDLUHNKK-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332326;MM332326;C#CC1CC(O)(C=C)CN1;VEZNOBYEZRZLAK-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332327;MM332327;C=CC(=CF)CC(C)CC;DDHJVIOTNCGXMC-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332328;MM332328;C#CC1CC(F)(C=C)CN1;YNRVCJRDCZFRRF-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332329;MM332329;CC=C(C=O)CC(C)CC;ZXRDGIJENMIGOY-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332330;MM332330;C#CC1CC(F)(C#N)CN1;YEEYTZIGORMFQI-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332331;MM332331;CC=C(C#N)CC(C)CC;TXCIRTRKRLYWAN-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332332;MM332332;C#CC1CC(C)(C=C)CO1;NPSYUQXCMAAYNC-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332333;MM332333;CC(C(N)=O)=C(C)C(C)C;YCUCIRDGZVZNKX-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332334;MM332334;C#CC1CC(C)(C#N)CO1;YKVKLCIZUWMTFZ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332335;MM332335;CC(=CCC(N)=O)C(C)C;SZEIXKHKDNSABH-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332336;MM332336;C#CC1CC(N)(C=C)CO1;IAYZIKQFUPVBEY-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332337;MM332337;CC=C(C=O)CC(C)CF;YSPVJWMSFIUFPW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332338;MM332338;C#CC1CC(O)(C=C)CO1;YKHSYXBUZAOGEE-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332339;MM332339;CC=C(C#N)CC(C)CF;CMVNUBUCGOGEKY-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332340;MM332340;C#CC1CC(O)(C=O)CO1;KEMQTFKVSFDGQB-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332341;MM332341;CCC(C)CC(C=O)=CN;JGBMFXAGMCICAJ-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332342;MM332342;C#CC1CC(O)(C#N)CO1;VKXSGUWSWJSAEX-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332343;MM332343;CCC(C)CC(C#N)=CN;RCJMGWXSTYFRIC-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332344;MM332344;C#CC1CC(F)(C=C)CO1;ZZCMKEXVXKWQBB-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332345;MM332345;C=CC(C)CC=CC(N)=O;HYHLNXSGSCLEMD-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332346;MM332346;C#CC1CNC(C)(C=C)C1;QNQYYMONBQEGBJ-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332347;MM332347;CCC(C)CC(C=O)=CF;PPGBWZJUIQIFSS-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332348;MM332348;C#CC1COC(C)(C=C)C1;CKPFTPINLHNMLZ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332349;MM332349;CCC(C)CC(C#N)=CF;ICCYVMQWQUMIGF-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332350;MM332350;C#CC1COC(C)(C#N)C1;CKVVUBOSFHFQEE-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332351;MM332351;C=C(CC)CC=CC(N)=O;MUHGRNYNWBFJAH-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332352;MM332352;C#CC1CCC(C)(C=C)N1;HKWPVAOECBEGSR-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332353;MM332353;CC(CF)CC(C#N)=CF;NAYRHXHNQMRYAG-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332354;MM332354;C#CC1CCC(C)(C=O)N1;LWLXBIABILWYTG-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332355;MM332355;C=CC(=CC)CC(N)CC;VIAZVSPKVAPVEV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332356;MM332356;C#CC1CCC(C)(C#N)N1;IMQIFLWVUPAUEY-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332357;MM332357;C=CC(=CC)CC(N)CF;SHUKGFVRTPUPTF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332358;MM332358;C#CC1CCC(C)(C=C)O1;QXBCEEYEGATNMT-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332359;MM332359;C#CC1CCC(C)(C=O)O1;VYGOPROXIMZJME-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332360;MM332360;CC=C(C)CC=CC(N)=O;WRGWXMLHRDFKQG-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332361;MM332361;C#CC1CCC(C)(C#N)O1;JUHWYMDRHIFAEM-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332362;MM332362;C=CC(=CC)CC(O)CO;MZMIUBJKXMDNOI-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332363;MM332363;C#CC1OCC(C)(C=C)O1;LSQBRGTZUMCESP-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332364;MM332364;C=CC(=CF)CC(O)CO;WSUGTXGXCZCJIE-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332365;MM332365;C#CC1OCC(C)(C=O)O1;MOIXSUQJIPYHRV-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332366;MM332366;CC=C(C=O)CC(O)CC;ZJEPQTMSGFATQT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332367;MM332367;C#CC1OCC(C)(C#N)O1;IHKPYOSKYLNISZ-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332368;MM332368;CC=C(C#N)CC(O)CC;OWWJGQGPBODTSZ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332369;MM332369;C#CC1COC(C)(C#N)O1;WWTXQRFYHRZQFG-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332370;MM332370;CC=C(C#N)CC(O)CO;ZBWQPRSOOQIJIS-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332371;MM332371;C#CC1(C)CCC(CC)C1;ZUQBFGGQSNRDDR-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332372;MM332372;CC=C(C#N)CC(O)CF;QIVMIPQDOFLAQE-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332373;MM332373;C#CC1(C)CCC(CN)C1;JTCUWSYDMCZOCN-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332374;MM332374;NC=C(C=O)CC(O)CO;MDDLWZHUTDTVNG-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332375;MM332375;C#CC(=CC)CCCCO;NBEQAKOYCJAVLO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332376;MM332376;CCC(O)CC(C=O)=CF;SUCCRYNDFOTDQD-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332377;MM332377;C#CC1(C)CCC(CF)C1;JGRJVDOWCGQAFG-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332378;MM332378;CCC(O)CC(C#N)=CF;OQGHKVGSDTUKEL-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332379;MM332379;C#CC1(N)CCC(CC)C1;CPYPFKJVNYHBGD-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332380;MM332380;O=CC(=CF)CC(O)CF;RZGLIJAGBQOZFN-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332381;MM332381;C#CC1(N)CCC(CN)C1;LKBDLOXGGTXHGE-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332382;MM332382;C=CC(=CC)CC(F)CC;VWQVTKPMPMEUBO-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332383;MM332383;C#CC1(N)CCC(CO)C1;SNQYDLSCYONQIY-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332384;MM332384;C=CC(=CC)CC(F)CN;QUQCSYPYNXANPI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332385;MM332385;C#CC1(N)CCC(CF)C1;TVOPDNFKNTVGQM-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332386;MM332386;C=CC(=CC)CC(F)CO;PQNJWCKBZVYCTO-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332387;MM332387;C#CC1(O)CCC(CC)C1;LBOCFMYILMPNDW-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332388;MM332388;C=CC(=CC)CC(F)CF;KROXRUKXAYSLSV-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332389;MM332389;C=CC(=CF)CC(F)CC;PTERQWIHMZQEIB-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332390;MM332390;C#CC1(O)CCC(CN)C1;MPQNHSFEUODWSV-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332391;MM332391;C#CC1(O)CCC(CO)C1;IHMMYCZIQTXOAS-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332392;MM332392;CC=C(C=O)CC(F)CC;VQABVIFEFOVGHL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332393;MM332393;CC=C(C#N)CC(F)CC;YSMYQBVEPHYSCQ-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332394;MM332394;C#CC1(F)CCC(CC)C1;YUOLGCFRNMFUTE-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332395;MM332395;CC=C(C#N)CC(F)CO;CKRQADRENARZNK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332396;MM332396;C#CC1(F)CCC(CN)C1;QVYMOUXVQXNEGH-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332397;MM332397;CCC(F)CC(C=O)=CN;JTUCHYCNHHOZGB-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332398;MM332398;C#CC1(F)CCC(CO)C1;MQIRJCFVRFVWKI-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332399;MM332399;CCC(F)CC(C#N)=CN;JENANJFTPCVQFX-UHFFFAOYSA-N;142.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332400;MM332400;C#CC1(F)CCC(CF)C1;PDMSIUBWTHSHCC-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332401;MM332401;CCC(F)CC(C=O)=CF;MZWQRBCGRMDXBK-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332402;MM332402;C#CC1(C)CCC(NC)C1;GHIKSCSSGNNGEO-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332403;MM332403;CCC(F)CC(C#N)=CF;RWBJFNZAIDFLAG-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332404;MM332404;C#CC1(N)CCC(NC)C1;CSIJDBGMSAFSRG-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332405;MM332405;O=CC(=CF)CC(F)CO;RPTMJZOPMFWTRO-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332406;MM332406;C#CC1(O)CCC(NC)C1;GIMGYZHDOMYTSG-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332407;MM332407;O=CC(=CF)CC(F)CF;ZPJUPXPTBBOGBQ-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332408;MM332408;C#CC1(F)CCC(NC)C1;YRUPDFRCGJTLJT-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332409;MM332409;C=CC(=CC)CC(C)NC;IHNQXFAJJXBLQO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332410;MM332410;C#CC1(C)CCC(OC)C1;YDWGKMFKNMMOJK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332411;MM332411;C=CC(=CF)CC(C)NC;NBVXQZAIUOIOTP-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332412;MM332412;C#CC1(N)CCC(OC)C1;DMGLLUQSERJKRA-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332413;MM332413;CC=C(C#N)CC(C)NC;WIKZWDJNWZDSFR-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332414;MM332414;C#CC1(O)CCC(OC)C1;BQDDSETWOFEUGJ-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332415;MM332415;CNC(C)CC(C=O)=CN;BZQVFQIFQJHBSP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332416;MM332416;CNC(C)CC(C#N)=CF;CWCHSAXRZUOGCD-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332417;MM332417;C#CC1(F)CCC(OC)C1;XDZYTCAIORMINR-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332418;MM332418;C=CC(=CC)CC(C)OC;KPCFWFPXUWAXEO-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332419;MM332419;C#CC1(C)CNC(CC)C1;ZWEGYYDEMKJOOF-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332420;MM332420;C=CC(=CF)CC(C)OC;WROORGNGKMMOFX-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332421;MM332421;C#CC1(C)CNC(CN)C1;JVFOWADLJXMBPW-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332422;MM332422;CC=C(C=O)CC(C)OC;QTPSXHCXPAYOTJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332423;MM332423;C#CC1(C)CNC(CO)C1;SPXVXXXPHIUDCQ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332424;MM332424;CC=C(C#N)CC(C)OC;PIXIHMIWQFPTSE-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332425;MM332425;C#CC1(N)CNC(CC)C1;AADSRAXBTHALLG-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332426;MM332426;COC(C)CC(C#N)=CF;GMDHVMYTUGEZHP-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332427;MM332427;C#CC1(N)CNC(CN)C1;CJOPRVLTFGKWEC-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332428;MM332428;C=CC(CC(C)CC)=NN;PZHWKPUSIFIHQB-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332429;MM332429;C#CC1(N)CNC(CO)C1;RCCNQBWJZUGGHF-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332430;MM332430;CC(C)=NOCC(C)C=O;MCRVEKRNNWPWAO-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332431;MM332431;C#CC1(N)CNC(CF)C1;BLPYVARWNWFMNC-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332432;MM332432;C=CC(CC(C)CN)=NO;PLNZAZBNVMEJMY-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332433;MM332433;C#CC1(O)CNC(CC)C1;FYQWIXKTTFKLBT-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332434;MM332434;CCC(C)=C(C)CC(N)=O;LNQRBBNYFPQLMB-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332435;MM332435;C#CC1(O)CNC(CN)C1;XINMPDMJABYNHJ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332436;MM332436;C=CC(CC(N)CC)=NO;AHXSYTIFAHJZEU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332437;MM332437;C=CC(CC(N)CN)=NO;GJEWGPWLNYVFHJ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332438;MM332438;C#CC1(F)CNC(CC)C1;RTTGNBBGLBTCNQ-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332439;MM332439;C#CC(CCO)CC(C)C;STONBAQHTUHUDV-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332440;MM332440;C#CC1(C)COC(CC)C1;RYQAIWGXQAAYJJ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332441;MM332441;C#CC(CCO)CC(C)O;RMMDOALKJPBMOQ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332442;MM332442;C#CC1(C)COC(CN)C1;UTPJZCUNGLKDKU-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332443;MM332443;C=CC(CC(O)CC)=NO;CGJCBOVLKNVQMO-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332444;MM332444;C#CC1(C)COC(CO)C1;MVODFXSOXNDQFG-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332445;MM332445;C=CC(CC(O)CN)=NO;YWYODQYMGSWAMM-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332446;MM332446;C#CC1(N)COC(CC)C1;WUVPORMKMAWMQP-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332447;MM332447;C=CC(CC(O)CO)=NO;OVVHGNCPJHQGBU-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332448;MM332448;C#CC1(N)COC(CN)C1;ALXJIBIEMNTYQJ-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332449;MM332449;CNN=CN=C(N)C(=O)O;TYJYFFURWUSGEV-UHFFFAOYSA-N;144.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332450;MM332450;C#CC1(N)COC(CO)C1;HRKNIVPTNXMYGA-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332451;MM332451;CC#Cc1noc(=NN)[nH]1;OHCZXLZMHLGLGS-UHFFFAOYSA-N;138.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332452;MM332452;C#CC1(O)COC(CC)C1;KVZSAQYCXVPKPK-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332453;MM332453;CC#CCN=C(N)C(=O)O;GUQWIUCOSFGEDJ-UHFFFAOYSA-N;140.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332454;MM332454;C#CC1(O)COC(CN)C1;PRAJBNLFOICGOO-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332455;MM332455;C=CC(CC(F)CC)=NN;LLQJNBHJRRXWLW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332456;MM332456;C#CC1(F)COC(CC)C1;UEQXYFNSZDICDN-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332457;MM332457;C=CC(CC(F)CC)=NO;MNMMVZUFQXFEDM-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332458;MM332458;C#CC1(F)COC(CN)C1;GCYYXOCHOXZBHH-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332459;MM332459;C=CC(CC(F)CN)=NO;HFUBVSRXBGTNGL-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332460;MM332460;C#CC1(C)CC(CC)CN1;YDLAZXVMNLSQFG-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332461;MM332461;C=CC(CC(F)CO)=NO;DZIGRGJXGZYSBE-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332462;MM332462;CC(C=NO)C(F)C(=O)O;XDVKTOYKRAWHKN-UHFFFAOYSA-N;149.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332463;MM332463;C#CC1(C)CC(CN)CN1;ODACFMAEAFEAMD-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332464;MM332464;C=CC(CC(C)OC)=NN;WQTQUMJCQZKMEZ-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332465;MM332465;C#CC1(C)CC(CO)CN1;XTNPCIXFPZBEHB-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332466;MM332466;C=CC(CC(C)OC)=NO;BHHKBUDQPHKVCH-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332467;MM332467;C#CC1(C)CC(CF)CN1;LNKHQFJHEYDMKJ-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332468;MM332468;C=CC(=NC(C)CC)NC;KNVWLHTWDTVZCN-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332469;MM332469;C#CC1(C)CC(NC)CN1;MHUKFTBYFOTUKF-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332470;MM332470;C=CC(=NC(C)CC)NN;DEMWFYRUHVRDPF-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332471;MM332471;C#CC1(C)CC(CC)CO1;DBULLVHRHWSSAS-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332472;MM332472;C=CC(=NC(C)CF)NN;VISZYVDUPVUVRS-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332473;MM332473;C#CC1(C)CC(CO)CO1;NQIAZGIDTISRCO-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332474;MM332474;C=CC(=NC(C)CC)NO;XUUAJXQYEUTLMO-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332475;MM332475;C#CC1(C)CC(CF)CO1;RIMNGARMJIDBJV-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332476;MM332476;CCC(C)N=C(C=O)NC;ZPWJKSJCPLBVAQ-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332477;MM332477;C#CC1(C)CC(NC)CO1;KUFIZHAZKDECHI-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332478;MM332478;CCC(C)N=C(C#N)NC;NLYNNMMZGJVXNA-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332479;MM332479;C#CC1(C)CCC(CC)N1;MLANLEUTZPSEBG-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332480;MM332480;CC=C(CCC)CC(N)=O;LRKAIOGPEUQVMV-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332481;MM332481;C#CC1(C)CCC(CN)N1;FWNXOXKUPPRUGH-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332482;MM332482;CN=C(C=O)NC(C)CF;RTCBWUGYTWZXRT-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332483;MM332483;C#CC1(C)CCC(CO)N1;CCXCMLWEGNCYMD-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332484;MM332484;CCC=C(CC)CC(N)=O;BZJXWNXRVLABJD-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332485;MM332485;C#CC1(C)CCC(CF)N1;DEJBQNOADYGEIG-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332486;MM332486;CC=C(CC(N)=O)C(C)C;RTYKKMLQBWXBOY-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332487;MM332487;C#CC1(C)CCC(CC)O1;FLEJOFBPBJWQEJ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332488;MM332488;C=CC(=CC)OC(C)CC;CCFZKPAARVRGCC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332489;MM332489;C#CC1(C)CCC(CN)O1;KZCFJOJQINDVAS-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332490;MM332490;C=CC(=CC)OC(C)CN;IQSBBXGZUABBAD-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332491;MM332491;C#CC1(C)CCC(CO)O1;BHHGWCVUSJXJSF-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332492;MM332492;C=CC(=CC)OC(C)CO;AFZJQSAVKFVFNW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332493;MM332493;C#CC1(C)CCC(OC)O1;QNKRUINARIYVQD-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332494;MM332494;C=CC(=CC)OC(C)CF;FMJPSVXLXWXLAI-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332495;MM332495;C#CC1(C)COC(CC)O1;VEORMSUFCQTPOV-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332496;MM332496;C=CC(=CF)OC(C)CC;JEAAWDKWOFLWNO-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332497;MM332497;C#CC1(C)COC(CN)O1;YTGGBZIODHNURJ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332498;MM332498;C=CC(=CF)OC(C)CN;PMCVWSKBCDSDOQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332499;MM332499;C#CC1(C)OCC(CN)O1;LCMUSNHHLHBOFQ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332500;MM332500;C=CC(=CF)OC(C)CO;NTLIHEBOGIEODY-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332501;MM332501;C#CC1(C)OCC(CF)O1;IKHOVASZBHAWJD-UHFFFAOYSA-N;144.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332502;MM332502;C=CC(=CF)OC(C)CF;UVPKOYPFSXERRW-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332503;MM332503;C#CC1(C)OCC(OC)O1;OWTYMQDINUJRTJ-UHFFFAOYSA-N;142.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332504;MM332504;CC=C(C=O)OC(C)CC;YAGRMTKHVFDEBH-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332505;MM332505;C#CC1(C)CCN(CC)C1;NDIBFJWJGGPOSB-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332506;MM332506;CC=C(C#N)OC(C)CC;KWDZWXPWMVJWKV-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332507;MM332507;C#CC1(N)CCN(CC)C1;WJOQFPITFWDODM-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332508;MM332508;CC=C(C=O)OC(C)CO;ZHVOECMXPPMCJX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332509;MM332509;C#CC1(O)CCN(CC)C1;QZCRRVKSBXZCHI-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332510;MM332510;CC=C(C#N)OC(C)CO;PGJNMRCCCBMNJB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332511;MM332511;C#CC1(C)CCC(C=C)C1;VDUPEFPWQLXEFN-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332512;MM332512;C#CC1(C)CCC(C#N)C1;BRXYPSNXIQEMSB-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332513;MM332513;CC=C(C=O)OC(C)CF;TVEFQHCOYSJDPB-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332514;MM332514;C#CC1(N)CCC(C=C)C1;KFZRPLFJFOCCHO-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332515;MM332515;CC=C(C#N)OC(C)CF;FFAOAUZOQFCQHQ-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332516;MM332516;C#CC1(O)CCC(C=C)C1;DNXFTPBHDAIABA-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332517;MM332517;CCC(C)OC(C=O)=CN;IWMFPPUZGNZYTA-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332518;MM332518;C#CC1(O)CCC(C#N)C1;RFNKCQSYDHAAML-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332519;MM332519;CC(CO)OC(C=O)=CN;SLXSQMCKTHTZIM-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332520;MM332520;C#CC1(F)CCC(C=C)C1;SZTPWJLOCXZQCA-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332521;MM332521;CCC(CC(N)=O)=C(C)C;VMAXABCYKKKGGY-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332522;MM332522;C#CC1(F)CCC(C=O)C1;KHCZSRJAHXUKPT-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332523;MM332523;CCC(C)OC(C=O)=CF;LRKWWESKSIXSLY-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332524;MM332524;C#CC1(F)CCC(C#N)C1;ICHIONPXZJYUCH-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332525;MM332525;CCC(C)OC(C#N)=CF;QNFXPDZFDCDVAQ-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332526;MM332526;C#CC1(C)CNC(C=C)C1;UIIGADOTAKNNDW-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332527;MM332527;C=CC(=CC)OC(C)OC;UQZKIWXCDGVLOM-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332528;MM332528;C#CC1(N)CNC(C=C)C1;XGOOQGOTZUQSOJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332529;MM332529;C=CC(=CF)OC(C)OC;FHVHNVXTQZRXGQ-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332530;MM332530;CC#CCCC(=CC)CO;FTFVFDNKYPFYBD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332531;MM332531;CC=C(C#N)OC(C)OC;WKIZQTDNPNFHAD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332532;MM332532;C#CC1(F)CNC(C#N)C1;CATNENWXAYOCGD-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332533;MM332533;COC(C)OC(C=O)=CN;TXZVYXZFRONDST-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332534;MM332534;C#CC1(C)COC(C=C)C1;HUUHRGOCIPQPQW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332535;MM332535;COC(C)OC(C#N)=CF;JNFGHMSOEHCKGM-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332536;MM332536;C#CC1(N)COC(C=C)C1;DXKRFDRRLQWRNY-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332537;MM332537;CC(C)=NN=CCCC=O;YIHGUPJOFMEWSY-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332538;MM332538;C#CC1(O)COC(C=C)C1;YPOIMMANDKZEKI-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332539;MM332539;C=CC(=NO)OC(C)CN;RXLFAFIPSWKIID-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332540;MM332540;C#CC1(O)COC(C#N)C1;YTOKVJADWHRJKT-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332541;MM332541;C=C(F)CN=C(N)C(=O)O;HSYTVXSQXNVOSY-UHFFFAOYSA-N;146.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332542;MM332542;C#CC1(C)CC(C=C)CN1;XVBMPYAQJLVNBG-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332543;MM332543;C=CC#CCC(=C)CCO;ANDVBVULECAOML-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332544;MM332544;C#CC1(C)CC(C=C)CO1;QTYSABKPLRTLOK-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332545;MM332545;C=CC(=CC)CN(C)CC;SOYRBGXATQMYJF-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332546;MM332546;C#CC1(C)CC(C#N)CO1;ARNSPAWJYQTGFZ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332547;MM332547;C=CC(=CF)CN(C)CC;CEIVBUJFLNMNSB-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332548;MM332548;C#CC1(C)CCC(C=C)N1;AGIKGUNERGTZKP-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332549;MM332549;CCN(C)CC(C#N)=CF;GVAGZKQIGTXKOB-UHFFFAOYSA-N;142.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332550;MM332550;C#CC1(C)CCC(C=O)N1;QZKLBRWVJISDNT-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332551;MM332551;C=CC(=NN(C)CC)NC;XBZYTFZIEVZAQI-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332552;MM332552;C#CC1(C)CCC(C#N)N1;GOHQMBRFILFCHU-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332553;MM332553;C#CC1(C)CCC(C=C)O1;HSNGUADFOQURAO-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332554;MM332554;CCN(C)N=C(C=O)NC;RTAZCFKSXRLOOX-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332555;MM332555;C#CC1(C)CCC(C=O)O1;JAXVRDYFYHRCCJ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332556;MM332556;C=CC(=CC)CC(C)C=C;XHVDBCVZNPOVAU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332557;MM332557;C#CC1(C)CCC(C#N)O1;BFDWWLXEAGSMFD-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332558;MM332558;C=CC(=CC)CC(C)C=O;ONZMKGXVMACSGC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332559;MM332559;C#CC1(C)COC(C=C)O1;MXPAYNVDXQGHIY-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332560;MM332560;C=CC(=CC)CC(C)C#N;BQNABTNGSWTVPJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332561;MM332561;C#CC1(C)COC(C=O)O1;MNZYSWZVRWUZIJ-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332562;MM332562;C=CC(=CF)CC(C)C=C;QRBYLGWGDPQUFT-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332563;MM332563;C#CC1(C)COC(C#N)O1;ZVEBKXTYBXORAF-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332564;MM332564;C=CC(=CF)CC(C)C#N;YCSUMVUZPOFNDW-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332565;MM332565;C#CC1(C)OCC(C=C)O1;BUOMVYZMZNBXJO-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332566;MM332566;C=CC(C)CC(C=O)=CC;SJCRIEIZBHXZOA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332567;MM332567;C#CC1(C)OCC(C=O)O1;PFQFDFYKBLWGGL-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332568;MM332568;C=CC(C)CC(C#N)=CC;HICHAYGJCVNGAF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332569;MM332569;C#CC1(C)CCN(C=N)C1;DEFWDPLKRVPWOK-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332570;MM332570;CC=C(C=O)CC(C)C=O;JKUKASLIBDDKQF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332571;MM332571;C#CC1(C)CCN(C=O)C1;IAMBFGIPJIVNFP-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332572;MM332572;CC=C(C#N)CC(C)C=O;QRETUOUOCGSQPI-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332573;MM332573;C#CC1(N)CCN(C=N)C1;LRPUKBKARIYIQY-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332574;MM332574;CC=C(C#N)CC(C)C#N;HWWSRHSJXGMSRG-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332575;MM332575;C#CC1(N)CCN(C=O)C1;RESHBAQUGKHUNC-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332576;MM332576;C=CC(C)CC(C#N)=CN;FOCCKZLZCQYVPZ-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332577;MM332577;C#CC1(O)CCN(C=N)C1;NLNSKBCAZCHANX-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332578;MM332578;CC(C=O)CC(C=O)=CN;WNTIRVCGWKZXEJ-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332579;MM332579;C#CC1(O)CCN(C=O)C1;HAMKSZWPUIFITK-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332580;MM332580;CC(C#N)CC(C=O)=CN;YTSQARCRSOMCIL-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332581;MM332581;C#CC1(F)CCN(C=N)C1;PRVPRDMBMQNQFJ-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332582;MM332582;CC(C#N)CC(C#N)=CN;RCGBKAPXDVXEMZ-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332583;MM332583;C#CC1(F)CCN(C=O)C1;VLZMXRVBGDYCDX-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332584;MM332584;C=CC(C)CC(C=O)=CF;XZLPJJBSBXVRCV-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332585;MM332585;C#CC1(C)CCN(N=C)C1;HGSZXZGTUDEBDA-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332586;MM332586;C=CC(C)CC(C#N)=CF;KFNHXPUWUUBMFA-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332587;MM332587;C#CC(C=C)=CC1CC1O;SPQQVTKHWUYLCM-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332588;MM332588;CC(C=O)CC(C#N)=CF;BMIJDOCSZDNMSB-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332589;MM332589;C#CC1(F)CCN(N=C)C1;IPFJJSCNQGCELT-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332590;MM332590;C=CC(=CC)CC(N)C=C;UJHPIEPEMVMOHV-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332591;MM332591;C#CC1(C)CNN(C=N)C1;XRIUAHDLDSDCKO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332592;MM332592;C=CC(=CF)CC(N)C=C;ACEVJHRILJHURP-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332593;MM332593;C#CC1(C)CNN(C=O)C1;AHPBKHBILQVNRL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332594;MM332594;C=C(CCO)C(C)CC=O;YRURAWZETSYOEU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332595;MM332595;C#CC1(N)CNN(C=N)C1;BYIPRBCZQFRWSR-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332596;MM332596;C=CC(=CC)CC(O)C#N;WKMYZLKTJIXEBG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332597;MM332597;C#CC1(O)CNN(C=N)C1;HXHJNAFUKCIGNQ-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332598;MM332598;C=CC(=CF)CC(O)C#N;SVVGHTDAIJCTRZ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332599;MM332599;CC1=C(C)CCC(CO)=C1;CXCFWMIZWXUOAM-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332600;MM332600;C=CC(O)CC(C=O)=CC;FKSDILRNBZTAQM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332601;MM332601;C#CC1(F)CNN(C=N)C1;NPSDRSVKPCPSRG-UHFFFAOYSA-N;141.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332602;MM332602;C=CC(O)CC(C#N)=CC;GVSACLUKWQEJNA-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332603;MM332603;C#CC1(F)CNN(C=O)C1;QAQHNYDNLYJPIU-UHFFFAOYSA-N;142.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332604;MM332604;CC=C(C#N)CC(O)C=O;MOCZZVCYMLMSAU-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332605;MM332605;C#CC1(O)CON(C=O)C1;IQUCHMMKKZQNRT-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332606;MM332606;NC=C(C=O)CC(O)C=O;LURKLOGZADUUPO-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332607;MM332607;C#CC1(F)CON(C=O)C1;UICADYUAMRGUEU-UHFFFAOYSA-N;143.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332608;MM332608;N#CC(O)CC(C=O)=CN;CDLQWTFADCPGED-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332609;MM332609;C#CC1(C)CCN(C=N)N1;DDJPNHXJAHMXBX-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332610;MM332610;CC(CCO)=C(C)CCO;DROBWWQYMGRZKW-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332611;MM332611;C#CC1(C)CCN(C=O)N1;OOEAUIFTRSWJJO-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332612;MM332612;C=CC(O)CC(C#N)=CF;MIEZIZRFGOMETC-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332613;MM332613;C#CC1(C)CCN(C=O)O1;KRHZSDHKWAAUFF-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332614;MM332614;O=CC(=CF)CC(O)C=O;HXJYWSNRFXEIDF-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332615;MM332615;C#CC1CCC(C)(C#C)C1;AHMHXNIZALWBNE-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332616;MM332616;C=CC(=CC)CC(F)C=C;CVOJIZFQBLHMMM-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332617;MM332617;C#CC1CCC(N)(C#C)C1;QYXMOZGIFWMWAK-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332618;MM332618;C=CC(=CC)CC(F)C=O;RHXTVMMXNYOVJR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332619;MM332619;C#CC1CCC(O)(C#C)C1;JAVPRKKAZJGGJX-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332620;MM332620;C=CC(=CC)CC(F)C#N;IZGOSPHGZVDEQM-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332621;MM332621;C#CC1CC(C)(C#C)CN1;PECRYGZQHZLPJE-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332622;MM332622;C=CC(F)CC(C#N)=CC;QSLTYBXREDEQCL-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332623;MM332623;C#CC1CC(N)(C#C)CN1;DYAZKIHILPQCLR-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332624;MM332624;CC=C(C=O)CC(F)C#N;FTQMDULNPXIUDB-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332625;MM332625;C#CC1CC(O)(C#C)CN1;RKKREEWRPUZNHP-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332626;MM332626;CC=C(C#N)CC(F)C#N;PZGYZOGVRDARNS-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332627;MM332627;C#CC1CC(C)(C#C)CO1;DSZVRAIRCWKMOA-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332628;MM332628;N#CC(F)CC(C=O)=CN;NHAZWFJWAATHNV-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332629;MM332629;C#CC1CC(N)(C#C)CO1;PBFSHROGEIUKOV-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332630;MM332630;C=CC(F)CC(C=O)=CF;SBWDEUAHCZLXEL-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332631;MM332631;C#CC1CC(O)(C#C)CO1;GZESROFMYQBXCS-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332632;MM332632;CC(CCO)=C(C)CCF;USRMVIRQIIIZOD-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332633;MM332633;C#CC1CNC(C)(C#C)C1;CLRLWBUTKKYVHG-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332634;MM332634;C=CC(CC(C)C=O)=NO;NIEXWEZWBKONHD-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332635;MM332635;C#CC1COC(C)(C#C)C1;HIGSPSWFGLRDSW-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332636;MM332636;C=CC(CC(O)C=C)=NO;DKXYNUVSVKNZGY-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332637;MM332637;C#CC1CCC(C)(C#C)N1;WOTUBSYPJSRVKA-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332638;MM332638;C#CCn1nnc(=NO)[nH]1;AKDPVKKJHAQLJZ-UHFFFAOYSA-N;139.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332639;MM332639;C#CC1CCC(C)(C#C)O1;MGOGJEUSXZORRC-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332640;MM332640;Nn1c(O)nc(O)cc1=O;HXJSZTMODKOQRV-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332641;MM332641;C#CC1OCC(C)(C#C)O1;MZUYKERANGKWBR-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332642;MM332642;NN(C=O)C(=O)CC(=O)O;CGJCDCAEHZXEIW-UHFFFAOYSA-N;146.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332643;MM332643;C#CC1COC(C)(C#C)O1;LQLGSFHPSKAJDT-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332644;MM332644;C=CC(CC(F)C=C)=NN;FUOGZTQCENMRPB-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332645;MM332645;CC=C1CCC(C)(CC)C1;AGWMICVUGZJBPW-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332646;MM332646;C=CC(=NC)NC(C)C=C;CUUNBYNLMGQVBB-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332647;MM332647;CCC1(C)CCC(=CF)C1;DNUCFRNPTIZWIB-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332648;MM332648;C=CC(=NC)NC(C)C=O;JTUBVFLFHLSKSL-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332649;MM332649;CC=C1CCC(C)(CN)C1;MUBHNUDOGCBVIE-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332650;MM332650;C=CC(=NC(C)C=C)NN;MDLGXUOPBNUJDC-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332651;MM332651;CC1(CN)CCC(=CF)C1;QCOGHOWNPBBTKB-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332652;MM332652;CCC(CC)=C(C)C(N)=O;SDNHWPVAYKOIGU-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332653;MM332653;CC1=C(F)CCC(CO)=C1;ZGXGWZZGSJNYRR-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332654;MM332654;C=CC(=CC)OC(C)C=C;RNOPOAJLIVVHQZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332655;MM332655;C=C(C)c1ccc(NC)[nH]1;YTALLDDBRLXETI-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332656;MM332656;C=CC(=CC)OC(C)C=O;WOVPNHCHCGDUMB-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332657;MM332657;CC1(CF)CCC(=CF)C1;NCFHJIXDRJFBOR-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332658;MM332658;C=CC(=CF)OC(C)C=C;KBCLJQAEDCGUME-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332659;MM332659;CC=C1CCC(N)(CC)C1;NMJLUOXTVCMSKT-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332660;MM332660;C=CC(C)OC(C#N)=CC;UGUSKQPFBKVHKH-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332661;MM332661;CCC1(N)CCC(=CF)C1;IDGQPMMSIHRXKU-UHFFFAOYSA-N;143.21;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332662;MM332662;CC=C(C#N)OC(C)C=O;DUXROABVJKQZET-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332663;MM332663;CC=C1CCC(N)(CN)C1;MTTUZUIUMSPKSB-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332664;MM332664;C=CC(C)OC(C=O)=CN;MGRXFKOFKDLDMD-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332665;MM332665;NCC1(N)CCC(=CF)C1;UKEUVEUIAGTIEF-UHFFFAOYSA-N;144.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332666;MM332666;CC(C=O)OC(C=O)=CF;WLMQPHZJIBEYOK-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332667;MM332667;CC=C1CCC(N)(CO)C1;MYLNYGGAXPFEBR-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332668;MM332668;CC(C=O)OC(C#N)=CF;JCEYJBCTEFZOMZ-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332669;MM332669;NC1(CO)CCC(=CF)C1;ILEKPXIWMHARRG-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332670;MM332670;CC(C#N)OC(C=O)=CF;HKXCANSVGFVDJU-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332671;MM332671;CC=C1CCC(N)(CF)C1;PFZWRFBYIVCJNT-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332672;MM332672;C=CC(=NO)OC(C)C=O;DUUVUPJZDHWGMS-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332673;MM332673;NC1(CF)CCC(=CF)C1;QMTNPJLYZYLQOU-UHFFFAOYSA-N;147.17;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332674;MM332674;C=CC(=NO)OC(C)C#N;PRDWETOBKXRXRN-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332675;MM332675;CC=C(C#N)C1CC(O)C1;LHTHGMWFHHRSDB-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332676;MM332676;CC(ON=CNN)C(=O)O;ABAJXSIGUQMERG-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332677;MM332677;CCC1(O)CCC(=CF)C1;DSZDATPSKFOYPI-UHFFFAOYSA-N;144.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332678;MM332678;C=C(C)N=C(NN)C(=O)O;DEOHFUAPMLGLIG-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332679;MM332679;CC=C1CCC(O)(CN)C1;LEDQVZWGXAMKNV-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332680;MM332680;C=CC(=CC)CN(C)C=N;UXXGKUZJJITUKC-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332681;MM332681;NCC1(O)CCC(=CF)C1;HNSLURLYVLTIOD-UHFFFAOYSA-N;145.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332682;MM332682;C=CC(=CC)CN(C)C=O;XDHAHBVTOYSARL-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332683;MM332683;CC=C1CCC(O)(CO)C1;FPMRLOIKXWSLAH-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332684;MM332684;CN(C=N)CC(C=O)=CN;NWEMGTANMCTLSG-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332685;MM332685;CN(C=N)CC(C#N)=CN;YMDGUMCGQOIETI-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332686;MM332686;OCC1(O)CCC(=CF)C1;MPUCMSPACQEOCY-UHFFFAOYSA-N;146.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332687;MM332687;C=C(F)C(=N)NN=CC=O;YBHJQVDYRDEPQQ-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332688;MM332688;OC1(CF)CCC(=CF)C1;YDBIEYOJSQTJBF-UHFFFAOYSA-N;148.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332689;MM332689;CN(C=N)CC(C=O)=CF;HUERZKZWCSOVMV-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332690;MM332690;CC=C1CCC(F)(CC)C1;NOQKGDRRSHKAPC-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332691;MM332691;CN(C=O)CC(C=O)=CF;MZHDYZCKYROFQS-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332692;MM332692;CCC1(F)CCC(=CF)C1;GCPZLHDKSIHZEY-UHFFFAOYSA-N;146.18;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332693;MM332693;CN(C=O)CC(C#N)=CF;CZPQFVDWUPOHRR-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332694;MM332694;CC=C1CCC(F)(CN)C1;OSASGNPWKBKOJD-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332695;MM332695;C=CC(=CC)CN(N)C=O;WNBFHUGITDUYOU-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332696;MM332696;NCC1(F)CCC(=CF)C1;VBHVZWAIIBIYNL-UHFFFAOYSA-N;147.17;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332697;MM332697;C=CC(=CF)CN(N)C=N;MHWSPKNECMZTSP-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332698;MM332698;CC=C1CCC(F)(CO)C1;SZUKZOYFHDXVKR-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332699;MM332699;C=CC(=CF)CN(N)C=O;HSCHLWOZRPCEMJ-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332700;MM332700;OCC1(F)CCC(=CF)C1;SQPGOQKLJHGGLH-UHFFFAOYSA-N;148.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332701;MM332701;C=CC(=CC)CN(C)N=C;USGVBHOTVVLZJY-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332702;MM332702;CCC1(C)CCC(=NN)C1;SVJHUXRUCKZKGR-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332703;MM332703;C=CC(=CF)CN(C)N=C;MESYWURJTOWBSI-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332704;MM332704;CCC1(C)CCC(=NO)C1;SWDQYFYKWSKQSP-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332705;MM332705;C=NN(C)CC(C#N)=CC;WQGLFQMLGDJETF-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332706;MM332706;CC1(CN)CCC(=NO)C1;GTLWYHFFDIENPV-UHFFFAOYSA-N;142.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332707;MM332707;C=NN(C)CC(C=O)=CN;LIVOLQGCNYOISM-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332708;MM332708;CC#CC(=CC)C1CC1O;AYJNZSHHUZZIQM-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332709;MM332709;C=NN(C)CC(C#N)=CN;VEUKHVUNFOHNGY-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332710;MM332710;O=C(O)CCOC=C(F)F;PLAFDJVJJAOSKQ-UHFFFAOYSA-N;152.1;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332711;MM332711;CC1(CO)CCC(=NO)C1;WAJVOQBAPGXQFU-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332712;MM332712;C=CC(CN(N)C=N)=NN;DSVLDFWBUHVIBY-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332713;MM332713;CC1(CF)CCC(=NN)C1;PIVMUAVAEQOTPJ-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332714;MM332714;C=CC(=NC)NN(C)C=O;CFPLXPUBZDAQTO-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332715;MM332715;CC1(CF)CCC(=NO)C1;SFJPMOVCEIYTHT-UHFFFAOYSA-N;145.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332716;MM332716;C=CC(=NO)NN(C)C=N;WDODPLLCBXSZMI-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332717;MM332717;CCC1(N)CCC(=NO)C1;QXPUWEOQXWQXMM-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332718;MM332718;CC(CCO)=C(C)C(C)F;CZASZYOYDZKLNZ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332719;MM332719;NCC1(N)CCC(=NO)C1;VNFROEZOGFLGND-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332720;MM332720;CCCC(C)=C(C)C(N)=O;CNIURQPMVHPWQG-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332721;MM332721;C#CCC#CCC1CC1O;OHRDMSPEABWOEC-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332722;MM332722;C#CC(C)CC(C=C)=CC;KLAOXMNCYUWWOD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332723;MM332723;CCC1(O)CCC(=NO)C1;OMXRZUUSCAMVDQ-UHFFFAOYSA-N;143.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332724;MM332724;C#CC(C)CC(C=C)=CF;NJFSNBVMCNAZQC-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332725;MM332725;NCC1(O)CCC(=NO)C1;SQPZAUFKLKNQFS-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332726;MM332726;C#CC(C)CC(C=O)=CC;NLTSXDAUAFBMAG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332727;MM332727;OCCCCC=CCCF;FMCWVAMIFNCMTE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332728;MM332728;C#CC(C)CC(C#N)=CC;GWURQWOEFHUXNS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332729;MM332729;OCC1(O)CCC(=NO)C1;WURVCMAFQFDQBJ-UHFFFAOYSA-N;145.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332730;MM332730;C#CC(C)CC(C#N)=CN;QRCSJNJMJASUQB-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332731;MM332731;CCC1(F)CCC(=NN)C1;MIOYGAXAIWCILI-UHFFFAOYSA-N;144.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332732;MM332732;C#CC(C)CC(C=O)=CF;SDGMMWIPPCSIAR-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332733;MM332733;CCC1(F)CCC(=NO)C1;UVLQJXRESIEPLC-UHFFFAOYSA-N;145.18;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332734;MM332734;C#CC(C)CC(C#N)=CF;BLNPIVWWEIBDRM-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332735;MM332735;NCC1(F)CCC(=NO)C1;RWIJXFMKXSVZIY-UHFFFAOYSA-N;146.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332736;MM332736;C#CC(N)CC(C=C)=CC;IADOSTWXHKGVOL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332737;MM332737;C=CCC=CCCCCO;JLSVPEBWJPACBA-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332738;MM332738;C#CC(O)CC(C=C)=CC;QYUZSQNGCSHKBV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332739;MM332739;OCC1(F)CCC(=NO)C1;WFLGVQWQKWRVKH-UHFFFAOYSA-N;147.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332740;MM332740;C#CC(O)CC(C#N)=CC;BJYWOYWLRVRBGC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332741;MM332741;CC=C1CCC(C)(NC)C1;TYNZRDKWMVBXMR-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332742;MM332742;C#CC(O)CC(C=O)=CN;BHJAWZLRYUBMBN-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332743;MM332743;CNC1(C)CCC(=CF)C1;PWZJCXZRYZCGHB-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332744;MM332744;C#CC(F)CC(C=C)=CC;GIRGYADNRNPPAQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332745;MM332745;CNC1(C)CCC(=NN)C1;OMAYLFJIQVZJQG-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332746;MM332746;C#CC(F)CC(C=O)=CC;YRTHMUGGSOGQGP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332747;MM332747;CNC1(C)CCC(=NO)C1;WRTDBSAZGUHZKT-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332748;MM332748;C#CC(F)CC(C#N)=CC;CHXYGRKXRJLPCR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332749;MM332749;CC=C1CCC(C)(OC)C1;JDNWUCXNFATSSI-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332750;MM332750;C#CC(F)CC(C#N)=CF;OXWUBPSGOMGPHU-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332751;MM332751;COC1(C)CCC(=CF)C1;LUDADFPSPRGYPX-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332752;MM332752;C#CC(C)CC(C=C)=NO;YZNBMKCBWUPOSD-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332753;MM332753;COC1(C)CCC(=NN)C1;LESASVNZYOUSAF-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332754;MM332754;CCCC#CC(O)C(=O)O;CCIMNWOCLPLKGD-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332755;MM332755;COC1(C)CCC(=NO)C1;GKYSLCNXGDPVNM-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332756;MM332756;C#CC(N)CC(C=C)=NO;WVFHGLFJXZSEPA-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332757;MM332757;CCC1(C)CN=C(NC)C1;RXOFEKBATFNUSH-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332758;MM332758;C#CC(F)CC(C=C)=NO;BIXQGNVGVASVDY-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332759;MM332759;CCC1(C)CN=C(NN)C1;ROZZBRHOHJUEMY-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332760;MM332760;CCC#CC(OC)C(=O)O;IXKKRVYXKUZTFL-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332761;MM332761;CCC1(C)CN=C(NO)C1;UYMDZXOZIXYPAR-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332762;MM332762;C#CC(C)NC(C=C)=NC;BEQZYXWWFDLNGX-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332763;MM332763;CN=C1CC(C)(CN)CN1;MJYFLFUIQQKFBA-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332764;MM332764;CCC=C(CCO)CCO;DKWVYRCADYALIP-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332765;MM332765;CC1(CN)CN=C(NO)C1;APCYTFRKXKVAFW-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332766;MM332766;CCC=C(CCC)C(N)=O;RKMBLTWJMFPDNH-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332767;MM332767;CN=C1CC(C)(CO)CN1;CVNKBICWMMEFHI-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332768;MM332768;C#CC(C)OC(C=C)=CC;KLENILYDYIIXPS-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332769;MM332769;CN=C1CC(C)(CF)CN1;PXGQIILKNPHCQR-UHFFFAOYSA-N;144.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332770;MM332770;C#CC(C)OC(C#N)=CC;AKWDVAGAMNWILN-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332771;MM332771;CCC1(N)CN=C(NC)C1;ZBTQLCHDJIQUTC-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332772;MM332772;C#CC(C)OC(C#N)=CF;PADXFZAASDWSQC-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332773;MM332773;CN=C1CC(N)(CN)CN1;AFHLVKIGSBXMQK-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332774;MM332774;C=CCC(C(N)=O)C(C)C;HINLFAQOKAHXOD-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332775;MM332775;NCC1(N)CN=C(NO)C1;OLTFZYFAWAYNET-UHFFFAOYSA-N;144.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332776;MM332776;C#CC(=CC)CC(C)CC;NXHMSWBRFXGAQC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332777;MM332777;CN=C1CC(N)(CO)CN1;JXQBCUHPDFBURK-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332778;MM332778;C#CC(=CC)CC(C)CN;LOKGFUTYZHZPIZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332779;MM332779;CN=C1CC(N)(CF)CN1;ZKGCTAZJUVOOIX-UHFFFAOYSA-N;145.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332780;MM332780;CC=CC(C)=CC1CC1O;NKOXUUWWUVBMDF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332781;MM332781;CCC1(O)CN=C(NC)C1;ZZMGLRHRGDLGEX-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332782;MM332782;C#CC(=CC)CC(C)CF;NWMCBUPKCPMENW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332783;MM332783;CCC1(O)CN=C(NN)C1;IAQPLKQZXVHLMV-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332784;MM332784;C#CC(=CF)CC(C)CC;WWTWXRJNULBNRF-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332785;MM332785;CN=C1CC(O)(CN)CN1;IVBHLVZXZMPDQL-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332786;MM332786;C#CC(=CF)CC(C)CN;UASSCVOBHBSRSC-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332787;MM332787;NCC1(O)CN=C(NO)C1;QVRASBGEMMXBQI-UHFFFAOYSA-N;145.16;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332788;MM332788;C#CC(=CC)CC(N)CC;PDJKAKCEJYQJCI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332789;MM332789;CN=C1CC(O)(CO)CN1;YKEHKKVUCJJZHX-UHFFFAOYSA-N;144.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332790;MM332790;C#CC(=CC)CC(N)CN;CNHVOFQDFVBZDU-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332791;MM332791;NNC1=NCC(O)(CO)C1;KXSFFEXFTIZIGS-UHFFFAOYSA-N;145.16;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332792;MM332792;C#CC(=CC)CC(N)CF;LFZRFOMQFQLHMT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332793;MM332793;CN=C1CC(O)(CF)CN1;BJQKXGVJSWAXIO-UHFFFAOYSA-N;146.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332794;MM332794;C#CC(=CF)CC(N)CC;GXVKUYJEYXQWNN-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332795;MM332795;ON=C1CC(O)(CF)CN1;BCVJANPWQZCRFS-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332796;MM332796;C#CC(=CF)CC(N)CN;XVONNUSEROCWLC-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332797;MM332797;CCC1(F)CN=C(NC)C1;KNPIYGYKEUGSDZ-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332798;MM332798;C#CC(=CF)CC(N)CO;FREVKAIIGYSVAU-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332799;MM332799;CCC1(F)CN=C(NN)C1;MQCMHQRSRZZHJQ-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332800;MM332800;C#CCC(C#C)(C#C)CO;DYBSDFQPVUBXGR-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332801;MM332801;CN=C1CC(F)(CN)CN1;NPBHXPNOUJULQU-UHFFFAOYSA-N;145.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332802;MM332802;C#CC(=CF)CC(O)CC;QUKMWRIDDISQEH-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332803;MM332803;CN=C1CC(F)(CO)CN1;NGYFXBLDARFWMH-UHFFFAOYSA-N;146.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332804;MM332804;C#CC(=CF)CC(O)CN;RHPBLEUCFFIECF-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332805;MM332805;CN=C1CC(C)(NC)CN1;RELCRQZKECDFEK-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332806;MM332806;C#CC(=CF)CC(O)CO;FMWWMHQYQAUVJN-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332807;MM332807;CNC1(C)CNC(=NN)C1;YHLDIKRBCBXJPN-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332808;MM332808;C#CC(=CC)CC(F)CC;GNQBNCURBKLCMR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332809;MM332809;CNC1(C)CN=C(NO)C1;ACTWYIPAMFIWGW-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332810;MM332810;C#CC(=CC)CC(F)CN;UBQRLOQXFHICGA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332811;MM332811;CNC1=NCC(C)(OC)C1;PRUUOHUCESXOBH-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332812;MM332812;C#CC(=CC)CC(F)CO;IKVRAQIOJXCABR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332813;MM332813;COC1(C)CN=C(NN)C1;HVWYWKNRPUKUGL-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332814;MM332814;C#CC(=CC)CC(F)CF;YUDVVSWZESFKPZ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332815;MM332815;CC=C1CC(C)(CC)CO1;LWBZQBOECHJKLU-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332816;MM332816;C#CC(=CF)CC(F)CC;HZLXKERTBOSJFR-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332817;MM332817;CC=C1CC(C)(CN)CO1;GSSCBNIVZAXEFN-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332818;MM332818;C#CC(=CF)CC(F)CF;SNISOSUBSLUQJW-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332819;MM332819;CC1(CN)COC(=CF)C1;XRLRYBQRYOZJSS-UHFFFAOYSA-N;145.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332820;MM332820;C#CC(=CC)CC(C)NC;ZFVOFZRYHVDBAI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332821;MM332821;CC1(CO)COC(=CF)C1;QGWXRKMYYHMKCW-UHFFFAOYSA-N;146.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332822;MM332822;C#CC(=CF)CC(C)NC;HQLZGRVAMTZMSN-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332823;MM332823;CC=C1CC(C)(CF)CO1;PSOIHEYZKKFAHN-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332824;MM332824;C#CC(=CC)CC(C)OC;NKJINDNLGYTGGV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332825;MM332825;CC=C1CC(N)(CC)CO1;UELDJHNSCVPDQC-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332826;MM332826;C#CC(=CF)CC(C)OC;QOZGKQPXECOCPW-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332827;MM332827;CC=C1CC(N)(CN)CO1;YFVGLMHVCBMZGZ-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332828;MM332828;C#CC(CC(C)CC)=NN;NBWUFIKIHHIOGR-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332829;MM332829;NCC1(N)COC(=CF)C1;IOOXYLPYXRVMNT-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332830;MM332830;C#CC(CC(C)CC)=NO;FEXXYVWDOMMUOB-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332831;MM332831;CC=C1CC(N)(CO)CO1;BNFJKLQKLDQRQW-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332832;MM332832;C#CC(CC(N)CO)=NO;WEWAZDPOLVRLHC-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332833;MM332833;CC=C1CC(O)(CC)CO1;GOEMOBUHLFCDBV-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332834;MM332834;C#CC(CO)CC(C)CC;UPSFFSPCFBODOZ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332835;MM332835;CC=C1CC(O)(CN)CO1;NYQQCGSNENYSNJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332836;MM332836;C#CC(C#N)=CCC(C)O;HTCMNZVMXMFMLS-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332837;MM332837;NCC1(O)COC(=CF)C1;LDBPPEJRDNMSJU-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332838;MM332838;C#CC(CC(O)CC)=NO;LHTLYWKWOCUKHL-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332839;MM332839;CC=C1CC(F)(CC)CO1;LHVYNLMLKRLUOW-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332840;MM332840;C#CC(CC(O)CN)=NO;LYALYLMDJJZLOT-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332841;MM332841;CC=C1CC(F)(CN)CO1;DYLKRUHZFLNLOR-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332842;MM332842;C#CC(CC(O)CO)=NO;NUECDCNFZHPUEC-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332843;MM332843;O=CCC=CCCCCO;WHNBDRMNOQMUKD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332844;MM332844;C#CC(CC(O)CF)=NO;MNRRAYYRQGAHPP-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332845;MM332845;CCC1(C)COC(=NO)C1;PAOISAZXKBFZEG-UHFFFAOYSA-N;143.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332846;MM332846;CCC(=CCC(N)=O)CC;LSIQBDHZLFLYGZ-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332847;MM332847;CC1(CN)COC(=NO)C1;IRHVAAWUDLDXCG-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332848;MM332848;C#CC(CC(F)CO)=NO;RHIQMQIXQDHPDY-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332849;MM332849;CCC1(N)COC(=NO)C1;XRIKUMXDWDWXEO-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332850;MM332850;C#CC(CC(C)OC)=NN;XJVYJJAZAXUELJ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332851;MM332851;NC1(CO)COC(=NO)C1;AMNNXQHRHSQGLM-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332852;MM332852;C#CC(CC(C)OC)=NO;XVONXEPXCIWKJY-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332853;MM332853;N#CCC=CCCCCO;ZITDWOZNDPOXST-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332854;MM332854;C#CC(=NC(C)CC)NC;IWBUOMBJABGZFA-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332855;MM332855;CCC1(O)COC(=NO)C1;WXASLNOFDKMZDV-UHFFFAOYSA-N;145.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332856;MM332856;C#CC(=NC)NC(C)CN;YVRTYVGPNFMQHG-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332857;MM332857;NCC1(O)COC(=NO)C1;ONUUQWPPBITIOI-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332858;MM332858;C#CC(=NC)NC(C)CO;QLZZJXXNQFBESN-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332859;MM332859;C=COC=CCCCCO;UXCLUDWWFDBSGV-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332860;MM332860;C#CC(=NC)NC(C)CF;FTJVNALERSILPX-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332861;MM332861;NN=C1CC(O)(CF)CO1;PTDCMHGQZNCONU-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332862;MM332862;CC=NN=C(N)C(C)C=O;CLLBWXJGZPRTCZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332863;MM332863;O=CON=CCCCCO;ZWIKHSJMAJDBSY-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332864;MM332864;C=CC#CC(=C)C(O)CC;HBXSEBZLOIXUKD-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332865;MM332865;CCC1(F)COC(=NO)C1;VELPFUNFILWROK-UHFFFAOYSA-N;147.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332866;MM332866;C#CC(=CC)OC(C)CC;NNXGGMINAGYRMU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332867;MM332867;NCC1(F)COC(=NO)C1;YYJUNWVEIHOTPE-UHFFFAOYSA-N;148.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332868;MM332868;C#CC(=CC)OC(C)CN;DHTQYCITDZNRMH-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332869;MM332869;OCC1(F)COC(=NO)C1;YMEWWENMIPCMJL-UHFFFAOYSA-N;149.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332870;MM332870;C#CC(=CC)OC(C)CO;LTTIJFYCAXVNHV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332871;MM332871;CC=C1CC(C)(NC)CO1;NDTXUTRQNOBPJS-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332872;MM332872;C#CC(=CC)OC(C)CF;SHKCMEGRERXAIB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332873;MM332873;CNC1(C)COC(=NN)C1;OHPNAOMZMSCVSP-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332874;MM332874;CNC1(C)COC(=NO)C1;MNRVIYXNQLADMC-UHFFFAOYSA-N;144.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332875;MM332875;C#CC(=CF)OC(C)CC;KRJZGZMHAKXGJU-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332876;MM332876;CC=C1CC(C)(OC)CO1;CLQZNDOXUVSDGS-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332877;MM332877;C#CC(=CF)OC(C)CN;DUQURIVWHFPVLJ-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332878;MM332878;COC1(C)COC(=NO)C1;LGBIOFJDKLSBHN-UHFFFAOYSA-N;145.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332879;MM332879;C#CC(=CF)OC(C)CO;HPUYEYDOLGEHNG-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332880;MM332880;CC=C1CNC(C)(CC)C1;XVWXZSKYIBFGPQ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332881;MM332881;C#CC(=CF)OC(C)CF;FGUBSSLAXHVSSE-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332882;MM332882;CCC1(C)CC(=CF)CN1;YQAPPFLFPFKDEP-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332883;MM332883;C#CC(=CC)OC(C)OC;YIJZQBCVFPTLEN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332884;MM332884;CC=C1CNC(C)(CN)C1;BEEBLKFZVNTCMP-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332885;MM332885;C#CC(=CF)OC(C)OC;MIOUETLMTIEWJD-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332886;MM332886;CC1(CN)CC(=CF)CN1;QHQZFHODEFEQBJ-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332887;MM332887;CCC=NOCC(C)C=O;MQNBAMHTJLJENS-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332888;MM332888;CC=C1CNC(C)(CO)C1;KIRRHAAQCIPNCI-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332889;MM332889;C#CC=NOCC(C)C=O;SRFBWZISUQKSFR-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332890;MM332890;CC1(CO)CC(=CF)CN1;AFTIYEVKDZGGGY-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332891;MM332891;CNN=CC#CC(F)C#N;WBCXSJWESZCGQI-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332892;MM332892;CC=C1CNC(C)(CF)C1;GNPKWSMNTCBZSO-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332893;MM332893;C#CC(=NO)OC(C)CC;SWHGIECCVLZNDK-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332894;MM332894;CCC1(C)CC(=NN)CN1;GAKOBQQQVJMGGM-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332895;MM332895;C#CC(=NO)OC(C)CN;GFIDSJZZBSKGER-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332896;MM332896;CCC1(C)CC(=NO)CN1;QNYAOCPMWFGPGX-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332897;MM332897;C#CC(=NO)OC(C)CO;GZIRGBULRIRJDB-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332898;MM332898;CC1(CN)CC(=NO)CN1;KNKDQVSEKYWXGJ-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332899;MM332899;C#CC(=NO)OC(C)CF;KMCMYEIUZXEIDS-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332900;MM332900;CC1(CO)CC(=NO)CN1;BBMAEUHBTCMAOP-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332901;MM332901;C#CC(=CC)CN(C)CC;MRIJDENDEFONHI-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332902;MM332902;CCC1(C)CC(NC)=NN1;GZCMAASHMCRUFK-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332903;MM332903;C#CCC=CCCCCO;QQCLRESDPBUXDG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332904;MM332904;C#CC(=CC)CC(C)C=C;JCRDHDRKPFQBCB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332905;MM332905;CN=C1CC(C)(CN)NN1;QBDGIEXJKHGAAV-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332906;MM332906;C#CC(=CC)CC(C)C=O;KYUMDEVEAATIJE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332907;MM332907;CC1(CN)CC(=NO)NN1;IPDXOZPKYVKOIS-UHFFFAOYSA-N;144.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332908;MM332908;C#CC(=CC)CC(C)C#N;TXIOKPZKWJEVJM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332909;MM332909;CC=NN=CCCCCO;LPYMUSIWGXAWDK-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332910;MM332910;C#CC(=CF)CC(C)C=C;RAUDIRWLAQXNCI-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332911;MM332911;CN=C1CC(C)(CF)NN1;PYBWYIFZRJFQCQ-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332912;MM332912;C#CC(=CF)CC(C)C=O;JAXFOUPXSFEQGF-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332913;MM332913;CC=C1COC(C)(CC)C1;OHFKCHUWAUJKGH-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332914;MM332914;C#CC(=CC)CC(N)C=C;GRXXRWUBTCEZRV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332915;MM332915;CCC1(C)CC(=CF)CO1;GYBGRBXNJJEMAO-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332916;MM332916;C#CC(=CF)CC(N)C=C;ZMHGMFHHSOXJLI-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332917;MM332917;CC=C1COC(C)(CN)C1;WCDWGPLUHFTSKW-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332918;MM332918;CNN=C(NCC=O)OC;DMVDFPFUSWOLAN-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332919;MM332919;CC1(CN)CC(=CF)CO1;VEXHPLIPBCECPO-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332920;MM332920;C#CC(=CF)CC(O)C#N;MMSHYSWPJAISQL-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332921;MM332921;CC=C1COC(C)(CO)C1;IEENLUYTKRNAFT-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332922;MM332922;C#CC(=CC)CC(F)C=C;MRRUSVADYYKRCE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332923;MM332923;CCC1(C)CC(=NN)CO1;OYIUAPWTWYBDJS-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332924;MM332924;C#CC(=CC)CC(F)C=O;VXDVDMZOKARXFY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332925;MM332925;CCC1(C)CC(=NO)CO1;WOFXMXRKJIANRR-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332926;MM332926;C#CC(=CC)CC(F)C#N;FUGKPVWTOVWGAH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332927;MM332927;CC1(CN)CC(=NO)CO1;HRVAEVKFZYWZQW-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332928;MM332928;C#CC(=CF)CC(F)C=C;HMRJHAWAXVWYMP-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332929;MM332929;CC=CC#CC1CC1CO;DUYBOXSLQQBFPP-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332930;MM332930;CC1(CO)CC(=NO)CO1;BNVPFTNWMLTQHX-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332931;MM332931;C#CC(=CF)CC(F)C#N;RKZJPCGNNPCMKB-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332932;MM332932;COC1(C)CC(=NN)CO1;XDXFCJBIYSPOBO-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332933;MM332933;C#CC(CC(C)C#N)=NO;CWXATIXJNDGHOV-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332934;MM332934;COC1(C)CC(=NO)CO1;UIXDBANIDFBCJY-UHFFFAOYSA-N;145.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332935;MM332935;C#CC(CC(F)C=C)=NO;IOXNYRATZOIUKE-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332936;MM332936;CCC=CC(C)O;SMOVOSVEEFIBSP-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332937;MM332937;C#CC(CC(F)C=O)=NO;OFDRJTDGSVLSNH-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332938;MM332938;CCCC=CC(C)O;BOEWENCXVIMZRU-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332939;MM332939;C#CC(=NC)NC(C)C=C;NZWPNDRTROVZPB-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332940;MM332940;CN=C1CC(C)(CN)ON1;XSUXFKQSYSTIDS-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332941;MM332941;CCC(=CCOC)CCO;DZANKEPGOPMOSQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332942;MM332942;CC1(CN)CC(NO)=NO1;DKJSIZHBPPGBKC-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332943;MM332943;C=NNC(=NN=CC)OC;MQEUFZWBVHLQML-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332944;MM332944;CC(O)C=CCCF;RMOVDHKAVRLUIW-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332945;MM332945;C#CC(=CC)OC(C)C=C;FWOGNRVWYMJTFP-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332946;MM332946;CC(C)=CC1CC1O;RCOYMJQAIVPQNC-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332947;MM332947;C#CC(=CC)OC(C)C=O;HQGSWEAVGFDSMF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332948;MM332948;CNC1=NOC(C)(OC)C1;DVYITVHGIXJBGT-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332949;MM332949;C#CC(=CC)OC(C)C#N;DUEOKWLNYLYVFN-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332950;MM332950;CCC1(C)CCC(=NC)N1;SEAYLILXHJMZDM-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332951;MM332951;C#CC(=CF)OC(C)C=C;CWFVFIJUFBEPOU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332952;MM332952;CCC1(C)CCC(=NN)N1;ZIBDIXRHLUHOKC-UHFFFAOYSA-N;141.22;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332953;MM332953;C#CC(=CF)OC(C)C=O;OYEYSKKVVGMABE-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332954;MM332954;C=CC(=C)C(=C)CO;LQJCJRLGJNUQFW-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332955;MM332955;C#CC(C=CC=CC)CO;VNENHVDHPNSCQL-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332956;MM332956;CN=C1CCC(C)(CN)N1;NVJZXNGQCNCQRI-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332957;MM332957;C#CC(=NO)OC(C)C=C;YDFOCKJWAUCUGO-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332958;MM332958;CN=C1CCC(C)(CO)N1;WFSNLCARZWYVCI-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332959;MM332959;C#CC(=CC)CN(C)C=N;LSDVEVQUONPWIM-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332960;MM332960;CN=C1CCC(C)(CF)N1;SQRVWVADIHOASY-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332961;MM332961;C#CC(=CC)CN(C)C=O;IEOWKVHCVDEMHP-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332962;MM332962;CC1(CF)CCC(NN)=N1;PRKVLZNJUZGFSP-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332963;MM332963;C#CC(=CF)CN(C)C=O;IQFFSVUPJADGAJ-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332964;MM332964;C=CC=C(C=C)CO;OXWMAJWCFNRNPD-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332965;MM332965;C#CC(=CC)CN(N)C=N;CFRFYVTVYKLEDE-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332966;MM332966;CCC1(C)CNC(=NC)N1;XSUORMWNOLDPQI-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332967;MM332967;C#CC(=CF)CN(N)C=N;GIEOAGRPHAKWHI-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332968;MM332968;CCC1(C)CNC(=NN)N1;JDNPDZUAYHWLEA-UHFFFAOYSA-N;142.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332969;MM332969;C#CC(=CC)CN(C)N=C;BZXSKLSGOUDOKD-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332970;MM332970;CN=C1NCC(C)(CN)N1;HMAXHALCMLYFSJ-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332971;MM332971;C#CC(=CF)CN(C)N=C;YDHBZOPIJVPNRM-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332972;MM332972;CC1(CO)CNC(=NN)N1;QLLMGRYVONXOMZ-UHFFFAOYSA-N;144.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332973;MM332973;C#CC(CN(C)C=N)=NN;FXJGNOWFESJRRK-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332974;MM332974;CN=C1NCC(C)(CF)N1;IAZJBFBLTHXQHF-UHFFFAOYSA-N;145.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332975;MM332975;C#CC(CN(C)C=O)=NN;KVCHTSARDKGQEZ-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332976;MM332976;CC1(CF)CNC(=NN)N1;JGBOBJXRJJUIFG-UHFFFAOYSA-N;146.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332977;MM332977;C#CC(CN(C)C=O)=NO;VTKPKYJCFXJSBI-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332978;MM332978;CC(O)C=CCC(C)F;WRMMVCIVGRXKPK-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332979;MM332979;C#CC(CN(N)C=N)=NN;WTQJRTGABAAZPI-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332980;MM332980;CCC1(C)COC(=NO)N1;FFWFTDAFWMEVLT-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332981;MM332981;C#CC(CN(N)C=O)=NN;SXYVYGPOBYHUBA-UHFFFAOYSA-N;140.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332982;MM332982;CC=C1CCC(C)(CC)O1;WKXADVBLDYVOEN-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332983;MM332983;C#CC(CN(N)C=O)=NO;SWDJZSKKBKFDRJ-UHFFFAOYSA-N;141.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332984;MM332984;CCC1(C)CCC(=CF)O1;KXGLDGZJIICHNE-UHFFFAOYSA-N;144.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332985;MM332985;C#CC(CN(C)N=C)=NN;IYCFIJZISHORDR-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332986;MM332986;CC=C1CCC(C)(CN)O1;AYVQEHNBKAIFNZ-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332987;MM332987;C#CC(=NC)NN(C)C=N;MFONOFOHHJNWOT-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332988;MM332988;CC1(CN)CCC(=CF)O1;FOGMVWVTLQMLEN-UHFFFAOYSA-N;145.18;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332989;MM332989;C#CC(C=CC=CF)CO;JZGYMBAMAPCMQS-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332990;MM332990;CC=C1CCC(C)(CO)O1;PMIZQOZPRRFYGK-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332991;MM332991;C#CC(=CC)CC(C)C#C;BZQBJGLFYQXNLF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332992;MM332992;CC=C1CCC(C)(CF)O1;BCQGGSHCGGYFKC-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332993;MM332993;C#CC(=CF)CC(C)C#C;FNXFHNBMWXFMPN-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332994;MM332994;CC(O)C=CCC(F)F;NBEOHUTXDNDSPX-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332995;MM332995;C#CC(=CC)CC(N)C#C;PHTKBPCSBVFVPO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332996;MM332996;CCC1(C)CCC(=NO)O1;SUXCYQKZYLMLRB-UHFFFAOYSA-N;143.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332997;MM332997;C#CC(=CF)CC(N)C#C;QCTTUFNEUDAMLE-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332998;MM332998;CC1(CN)CCC(=NO)O1;SLOJEVNSKKPHON-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM332999;MM332999;C#CC(=CC)CC(O)C#C;FDFLELDZFXIMIU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333000;MM333000;CC=C1CCC(C)(OC)O1;GYAYTNAXNKEVLA-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333001;MM333001;C#CC(=CF)CC(O)C#C;IEIHCRJSSFYNKW-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333002;MM333002;COC1(C)CCC(=CF)O1;MANAWEYVHJYAME-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333003;MM333003;C#CC(=CC)CC(F)C#C;CHKOGYSOHSHDCG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333005;MM333005;C#CC(=CF)CC(F)C#C;OJGWOIPINIYCDX-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333004;MM333004;C=C(C=CC(N)=O)CC;FZPHEXNHETZIFR-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333006;MM333006;C#CC(CC(C)C#C)=NN;UHPPLVJLRUXBCF-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333007;MM333007;COC1(C)CCC(=NO)O1;SXCFBDHNGTXJHB-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333008;MM333008;C#CC(CC(C)C#C)=NO;VLWVCAQYWCSKOZ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333009;MM333009;CC=C(C)C=CC(N)=O;MLVXZEKGNLVKOO-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333010;MM333010;C#CC(CC(F)C#C)=NN;ITWYGLGITDHTKD-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333011;MM333011;CCC1(C)CNC(=NO)O1;KGGGXKWTQDHECX-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333012;MM333012;C#CC(CC(F)C#C)=NO;OBIKHYMZYBWKJH-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333013;MM333013;CN=C1NCC(C)(CN)O1;BSQHZJYGMPIABM-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333014;MM333014;C#CC(=NC(C)C#C)NN;SGONYTZHUHHPJE-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333015;MM333015;CC1(CN)CNC(=NO)O1;UMQYUXACYYPZPA-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333016;MM333016;CCC(CO)=C(C)CCO;FPCWDAMLWSUOMV-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333017;MM333017;C=CC=CCCC(N)=O;IFGZNAWXDVKEID-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333018;MM333018;C#CC(=CC)OC(C)C#C;GDLHPYSLAVEFJL-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333019;MM333019;COC1(C)CNC(=NO)O1;XVWDHDRYBPUPMA-UHFFFAOYSA-N;146.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333020;MM333020;C=NNC1CC1(C#N)C#N;GDPCQDIZOCHFIK-UHFFFAOYSA-N;134.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333021;MM333021;CCCCC=CC(C)O;YJJIVDCKSZMHGZ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333022;MM333022;C#CC(=NO)OC(C)C#C;SYNSHRRDIMMPAS-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333023;MM333023;CC1(CN)COC(=NO)O1;UTEPAMDKWQLNJZ-UHFFFAOYSA-N;146.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333024;MM333024;C=C(CC)CC(=CC)CC;ZKEHDLWUXMZDIS-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333025;MM333025;CC=C1COC(C)(CC)O1;QEXPAEUNLSCRLB-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333026;MM333026;C=C(CN)CC(=CC)CC;XLBYMYZWLAAWDD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333027;MM333027;CCC1(C)OCC(=CF)O1;BZTJBWUAPAUSSU-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333028;MM333028;C=C(CO)CC(=CC)CC;IRFRXNHUABSBHC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333029;MM333029;CC=C1COC(C)(CN)O1;YVINACQPNAUNMZ-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333030;MM333030;C=C(CF)CC(=CC)CC;ZHUYZRXWIBZEIA-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333031;MM333031;CC1(CN)OCC(=CF)O1;HUIVWMVWPCRAMR-UHFFFAOYSA-N;147.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333032;MM333032;C=C(CC)CC(=CF)CC;QQCGIBAISQJSGV-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333033;MM333033;CC=C1COC(C)(CO)O1;LUKWKWBLGLISRC-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333034;MM333034;C=C(CN)CC(=CF)CC;HZKWRICWZJDCCE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333035;MM333035;CC(O)C=CCCCF;DJMKNVMXHVNELQ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333036;MM333036;CCC1(C)OCC(=NO)O1;UDYXHMAUVIBVLC-UHFFFAOYSA-N;145.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333037;MM333037;C=C(CO)CC(=CF)CC;JUEKQHHNEBUIPC-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333038;MM333038;CC1(CN)OCC(=NO)O1;WYRXWHIOVGJHGP-UHFFFAOYSA-N;146.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333039;MM333039;C=C(CC)CC(=CC)CN;RUHYTDRHAOYCNG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333040;MM333040;CCC1(C)ONC(=NC)O1;APUSVEBJVGPNNT-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333041;MM333041;C=C(CF)CC(=CC)CN;JMQINBBEIFNUNV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333042;MM333042;CC(O)C=CCCC#N;FUXPICALLCUTGO-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333043;MM333043;C=C(CC)CC(=CF)CN;POEXWHPUSJVRRA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333044;MM333044;C=CC1(C)CCC(=CC)C1;BRMQPBPRUHONAQ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333045;MM333045;C#CC1(C(=C)CCO)CC1;MHFNPMJWGDJRLO-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333046;MM333046;C=CC1(C)CCC(=CF)C1;IQGKMEGHGPFBGE-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333047;MM333047;C=C(CO)CC(=CC)CO;AWUCBORONGBNRY-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333048;MM333048;CC=C1CCC(C)(C=O)C1;RZBGQSLVJDABFZ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333049;MM333049;C#CC(CO)CC1CC1C;JCEPURAAWXFRHV-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333050;MM333050;CC=C1CCC(C)(C#N)C1;QXDGJRKLCKZKLR-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333051;MM333051;C=C(CF)CC(=CF)CO;XZBMXHABYMGSLI-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333052;MM333052;CC1(C=O)CCC(=CF)C1;LPHXATIJZJGNCG-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333053;MM333053;C=C(CC)CC(=CC)CF;ZEWDRHGRKPTXSJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333054;MM333054;CC1(C#N)CCC(=CF)C1;SZFITXCSQCOTRV-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333055;MM333055;C=C(CN)CC(=CC)CF;MUXZXMXDVMGCLO-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333056;MM333056;C=CC1(N)CCC(=CC)C1;QDPDHDWKKICIFW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333057;MM333057;C=C(CO)CC(=CC)CF;FCMJKDVGPHPQBN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333058;MM333058;C=CC1(N)CCC(=CF)C1;WUWKOTPIMVIQQY-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333059;MM333059;C=C(CF)CC(=CC)CF;QXORDKUFFNTMAJ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333060;MM333060;C#CCCC=CC(C)O;HFYWEBLPEIWHFH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333061;MM333061;CC=C(CC)CC(=O)CC;DRJZLPLSDYDGJJ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333062;MM333062;C=CC1(O)CCC(=CF)C1;DUUINXKRRZVNHZ-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333063;MM333063;CC=C(CC)CC(=O)CO;LHWLVNNSGLUVLT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333064;MM333064;CC=C1CCC(O)(C#N)C1;JVTUUWJYKICLSY-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333065;MM333065;CC=C(CC)CC(=O)CF;VGGUWAVCGPFLSY-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333066;MM333066;N#CC1(O)CCC(=CF)C1;KCLGHBDUOWSERY-UHFFFAOYSA-N;141.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333067;MM333067;CCC(=O)CC(=CF)CC;ZRHIBRWHLZWIGT-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333068;MM333068;C=CC1(F)CCC(=CC)C1;WIHDEOCOWCJFPH-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333069;MM333069;CC=C(CO)CC(=O)CC;MRTBKIYVVDCAHW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333070;MM333070;C=CC1(F)CCC(=CF)C1;DPXMEMSHCGHCND-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333071;MM333071;CC=C(CF)CC(=O)CC;PTRXUYNGIZOITD-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333072;MM333072;CC=C1CCC(F)(C=O)C1;YVRIKPXTOBEAJM-UHFFFAOYSA-N;142.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333073;MM333073;CC=C(CF)CC(=O)CF;PJLCVNKXEGBRRL-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333074;MM333074;CC=C1CCC(F)(C#N)C1;KSYJTZDEUKPVSA-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333075;MM333075;CCC(=O)CC(=CF)CF;XKJVSORXZIZNSQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333076;MM333076;O=CC1(F)CCC(=CF)C1;NDXYCLAZPUBIEU-UHFFFAOYSA-N;146.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333077;MM333077;CC=C(CC)CC(=N)NC;XYMZEMFRFWQZOM-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333078;MM333078;N#CC1(F)CCC(=CF)C1;NQCVWQKRCYFXKS-UHFFFAOYSA-N;143.14;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333079;MM333079;CC=C(CC)CC(=N)NN;PPQXAELXVMCQTI-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333080;MM333080;C=CC1(C)CCC(=NN)C1;VXUVRQVOFBKIEA-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333081;MM333081;CCC(=CF)CC(=N)NC;LRYXDCAWWYTCHE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333082;MM333082;C=CC1(C)CCC(=NO)C1;NMAACKHCFCJIEW-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333083;MM333083;CCC(=CF)CC(=N)NN;NNCMUUYPOFYDGX-UHFFFAOYSA-N;145.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333084;MM333084;CC1(C=O)CCC(=NO)C1;OKKUECMBSHZUJE-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333085;MM333085;CCC(=CF)CC(=N)NO;IADDUDUUXMXDKZ-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333086;MM333086;CC1(C#N)CCC(=NO)C1;ODBJHZWRXHPEIP-UHFFFAOYSA-N;138.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333087;MM333087;CNC(=N)CC(=CF)CN;JWXUVRWWCRDKHY-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333088;MM333088;C=CC1(N)CCC(=NO)C1;UOTMGSTZBLDOKJ-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333089;MM333089;N=C(CC(=CF)CN)NO;UCHCBPBUKVKVPW-UHFFFAOYSA-N;147.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333090;MM333090;CN=CNN=CC(F)F;KLLKHSCBMZXBHM-UHFFFAOYSA-N;135.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333091;MM333091;C=CC1(O)CCC(=NO)C1;VGFRMFAKMXFREM-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333092;MM333092;CC=C(CF)CC(=N)NC;LYGNVCPMTFVAQY-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333093;MM333093;O=CC1(O)CCC(=NO)C1;FEOTZIRRZGBKSX-UHFFFAOYSA-N;143.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333094;MM333094;CC=C(CF)CC(=N)NN;WPLYWVYFHKTSJL-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333095;MM333095;N#CC1(O)CCC(=NO)C1;MFJIWTIQSUQJCP-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333096;MM333096;CC=C(CF)CC(=N)NO;HOILQZREBXFLLA-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333097;MM333097;C=CC1(F)CCC(=NN)C1;ZGNNJMKAXBMREX-UHFFFAOYSA-N;142.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333098;MM333098;N=C(CC(=CF)CF)NN;OTIBSPLFANOZHS-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333099;MM333099;C=CC1(F)CCC(=NO)C1;YBQQLBMSYYNFDT-UHFFFAOYSA-N;143.16;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333100;MM333100;N=C(CC(=CF)CF)NO;XEQVXNAKFNLPPV-UHFFFAOYSA-N;150.13;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333101;MM333101;O=CC1(F)CCC(=NO)C1;WWDUSEALHKAFOR-UHFFFAOYSA-N;145.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333102;MM333102;C#CC(CO)CC1CC1O;IYIHMOZKFSTZRD-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333103;MM333103;N#CC1(F)CCC(=NO)C1;LRQWNZQJYPYLHY-UHFFFAOYSA-N;142.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333104;MM333104;C#CC(=CF)CC1CC1O;CTWGLFPLRXRRPD-UHFFFAOYSA-N;140.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333105;MM333105;C=CC1(C)CNC(=NC)C1;PMBFWIWNMVQHON-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333106;MM333106;CC=C(CC)CC(=O)NO;NWTPMARAIGIQJB-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333107;MM333107;C=CC1(C)CN=C(NN)C1;KMFFNVWWLGRNTA-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333108;MM333108;CCC(=CF)CC(=O)NC;KIJVLBZEQMUKQQ-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333109;MM333109;C=CC1(C)CN=C(NO)C1;ADGNUELZVFLAFQ-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333110;MM333110;CC=C(CN)CC(=O)NO;AEWIVBCGRXRWEK-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333111;MM333111;CN=C1CC(C)(C=O)CN1;LUQKNUAWQMECLA-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333112;MM333112;C=CC(=CC1CC1O)CC;SBUSPUNZDYLMDJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333113;MM333113;CN=C1CC(C)(C#N)CN1;ASPRQRIOKUZBBP-UHFFFAOYSA-N;137.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333114;MM333114;O=C(CC(=CF)CO)NO;CYCOMQLIVRXUCM-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333115;MM333115;C=CC1(N)CNC(=NC)C1;SDFKRUMWSUBTQU-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333116;MM333116;CC=C(CF)CC(=O)NC;LYRKZMLYHIBXIR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333117;MM333117;C=CC1(O)CNC(=NC)C1;NXKJFUFMVODWCY-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333118;MM333118;CCC(C=O)=CC1CC1O;KJZHFOPDIAMDIL-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333119;MM333119;C=CC1(O)CN=C(NN)C1;ABFVALLTFMQNOQ-UHFFFAOYSA-N;141.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333120;MM333120;C=C(CC(=CC)CC)OC;MSHGMCXDIAVDOA-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333121;MM333121;CCC=CC=CC(N)=O;KITQGYOSLQTCSD-UHFFFAOYSA-N;125.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333122;MM333122;C=C(CC(=CC)CN)OC;XVKFDNKTAPSSLB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333123;MM333123;CN=C1CC(O)(C=O)CN1;MQPGUKWNKDIHGI-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333124;MM333124;C=C(CC(=CC)CO)OC;AFCATGFGXWEHGE-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333125;MM333125;CN=C1CC(O)(C#N)CN1;DGZXPUSQLCSSBD-UHFFFAOYSA-N;139.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333126;MM333126;CC=C(CC)CC(=O)OC;MXIDNADUBUCJHZ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333127;MM333127;O=CC1(O)CNC(=NO)C1;HWUMZTHLYCWMRQ-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333128;MM333128;CCC(=CF)CC(=O)OC;ZQRLYPISYJXCTN-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333129;MM333129;N#CC1(O)CNC(=NO)C1;OYIJSVXNQCUNHC-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333130;MM333130;COC(=O)CC(=CF)CN;SLVLFSGCIBAHOS-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333131;MM333131;C=CC1(F)CNC(=NC)C1;ZQJARAIEPBJTAP-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333132;MM333132;CC=C(CF)CC(=O)OC;PEBSPYDFYJWYIF-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333133;MM333133;C=CC1(F)CNC(=NO)C1;VMYZLSVTZFRTLA-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333134;MM333134;CN=C1CC(F)(C=O)CN1;FFFBTJCJHAEZOK-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333135;MM333135;COC(=O)CC(=CF)CF;BPWCELMAVUOGQW-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333136;MM333136;CN=C1CC(F)(C#N)CN1;YLWVVUMDNYBULM-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333137;MM333137;C=C(CC)CC(CC)=NN;QMOPXGZIEYAKLP-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333138;MM333138;O=CC1(F)CNC(=NO)C1;UZHFZUGQLFXMFZ-UHFFFAOYSA-N;146.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333139;MM333139;C=C(CC)CC(CC)=NO;KZYPRUJISFACAS-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333140;MM333140;N#CC1(F)CNC(=NO)C1;GIOMNNJWTZLVEL-UHFFFAOYSA-N;143.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333141;MM333141;C=C(CO)CC(CC)=NO;VGIWYLYFVXXRPT-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333142;MM333142;C=CC1(C)COC(=CC)C1;VUCMIDWBLVPEJG-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333143;MM333143;CCC(=O)CC(CC)=NO;VGGRTVDKKUSQHC-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333144;MM333144;CC=C1CC(C)(C=O)CO1;QYWIAXBTJJCJKN-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333145;MM333145;CCC(CC(=O)CO)=NO;YMKRCBTVGJCLFY-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333146;MM333146;CC=C1CC(C)(C#N)CO1;WZNNUKGFBJRLLR-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333147;MM333147;CCC(CC(=N)NN)=NN;PAXGAZJVTNGESR-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333148;MM333148;CC1(C#N)COC(=CF)C1;DCQWVLVPXJQKCV-UHFFFAOYSA-N;141.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333149;MM333149;CCC(CC(=N)NO)=NN;SVTLRJCTVGDGOL-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333150;MM333150;C=CC1(N)COC(=CC)C1;QPCQOCUXJAEBMT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333151;MM333151;CCC(CC(=N)NN)=NO;YGLUPXQJCAEOLL-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333152;MM333152;C=CC1(O)COC(=CC)C1;LKMHEFWBGVJDPY-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333153;MM333153;CCC(CC(=N)NO)=NO;SLXOZYSAUCRUQT-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333154;MM333154;C=CC1(O)COC(=CF)C1;ZRJJDTYKLDYUMY-UHFFFAOYSA-N;144.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333155;MM333155;CNC(=N)CC(CN)=NO;RPZDWNPVZSNEFQ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333156;MM333156;CC=C1CC(O)(C=O)CO1;UHVQHFCMVHGZJI-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333157;MM333157;CNC(=N)CC(CO)=NN;FBBCCNOYZURPRE-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333158;MM333158;CC=C1CC(O)(C#N)CO1;FQUGJEFZVOQIRD-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333159;MM333159;N=C(CC(CO)=NN)NO;UKIOOIUCROGLAR-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333160;MM333160;O=CC1(O)COC(=CF)C1;DEZXFAFRGBRALD-UHFFFAOYSA-N;146.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333161;MM333161;C=CC(=CC1CC1O)CF;IAEZHNHNDHGUIZ-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333162;MM333162;C=CC1(F)COC(=CC)C1;KEDNPMSLTQEUTA-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333163;MM333163;OCCC1CC1C1(O)CC1;VGFMVWMTFXUOLJ-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333164;MM333164;CC=C1CC(F)(C=O)CO1;SOOORJWSUXYGES-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333165;MM333165;CCC(CC(=O)NO)=NN;YWNZILKZYHTVJO-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333166;MM333166;CC=C1CC(F)(C#N)CO1;MQTXOBVGMMPAKA-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333167;MM333167;CCC(CC(=O)NN)=NO;BWQFOJCCGUEUHG-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333168;MM333168;CON=C(C)CCC=O;HACBKHUWMFSCLC-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333169;MM333169;C=CC1(C)COC(=NO)C1;OUBQISITVYYQEB-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333170;MM333170;OCCC1CC1C1(F)CC1;UCCLUZLUQBQUDM-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333172;MM333172;C=C1C(CO)=CCC1CC;OPQRZEKMWYYSIV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333171;MM333171;CC1(C=O)COC(=NO)C1;CFBAVFBJSPERKY-UHFFFAOYSA-N;143.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333174;MM333174;NN=C(CO)CC(=O)NO;JROVQIMSQHNBEX-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333173;MM333173;CC1(C#N)COC(=NO)C1;PPFXSOUUADYHQG-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333175;MM333175;C=C(CC(CC)=NN)OC;OFVXGUFKRYSVLD-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333176;MM333176;C#CCC(C)C(=C)CO;AYYOQWYJAAFYPM-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333177;MM333177;C=CC1(O)COC(=NO)C1;ZRXXZRHWSBSFEH-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333178;MM333178;C=C(CC(CC)=NO)OC;LPLIHTVNISKWPT-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333179;MM333179;N#CC1(O)COC(=NO)C1;LVSKOLQQALQCJQ-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333180;MM333180;C#CC(C#CC)C1CC1O;WPVRTQXPTNICPA-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333181;MM333181;C=C(C=CC)C(=C)CO;MZWJOLRTSWHZDX-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333182;MM333182;CC(CO)C1CC1CCO;GOKJFOHBIFXLQU-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333183;MM333183;C=CC1(F)COC(=NO)C1;CQKZSMAPAHRIHU-UHFFFAOYSA-N;145.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333184;MM333184;C=Cn1nc(O)c(=NO)o1;WOIOPZAIZRBMJM-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333185;MM333185;C=CC1(C)CC(=CC)CN1;OZVSXGMTOBDKOL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333186;MM333186;C=C(CC)CC(=NC)NC;YDSZMUAGLPVGGJ-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333187;MM333187;C=CC1(C)CC(=CF)CN1;HSZTUDVPNXHSEY-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333188;MM333188;C=C(CF)CC(=NC)NC;AADUNFSYPOKPGN-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333189;MM333189;CC=C1CNC(C)(C=O)C1;HELUHIMLAXFKOV-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333190;MM333190;C=C(CC)CC(=NN)NC;IUWNKKKTYVAFFG-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333191;MM333191;CC=C1CNC(C)(C#N)C1;QHOFACXULRPTGJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333192;MM333192;CCC(O)C1CC1CCO;SPECFPBOBGDBHU-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333193;MM333193;CC1(C#N)CC(=CF)CN1;CYDFULWVBRQQEV-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333194;MM333194;C=C(CF)CC(=NC)NO;ORIFXROTXQDXRW-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333195;MM333195;C=CC1(C)CC(=NO)CN1;CEZIHCHAOKQNKK-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333196;MM333196;C=C(CN)CC(=NO)NO;CGTWFDWTHNRGEL-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333197;MM333197;C#CC(C)=C(C)CCO;QXRXZOFRMWWNLW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333198;MM333198;C=C(CO)CC(=NO)NO;QTIHEXLWHYWZOL-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333199;MM333199;C=CC1(C)CC(=NC)NN1;JVLZRSQOVAFEAM-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333200;MM333200;CN=C(CC(=O)CO)NC;RUOPAKIBHVWDQI-UHFFFAOYSA-N;144.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333201;MM333201;CCNC(C=O)C(F)F;WUMSEGFXFLESOE-UHFFFAOYSA-N;137.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333202;MM333202;O=C(CO)CC(=NO)NO;LDRYJKKKHUJMNW-UHFFFAOYSA-N;148.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333203;MM333203;CN=C1CC(C)(C=O)NN1;XCDXXSXDGZWMNJ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333204;MM333204;O=C(CF)CC(=NO)NO;KCDMYKFJNVERBF-UHFFFAOYSA-N;150.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333205;MM333205;CN=C1CC(C)(C#N)NN1;CHFYSTGRLUTLCE-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333206;MM333206;N=C(CC(=NN)NN)NN;SLEFCFFQYQMXHM-UHFFFAOYSA-N;145.17;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333207;MM333207;CCC(C)=CC1CC1O;YEBVGSVVPFHAMI-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333208;MM333208;N=C(CC(=NN)NN)NO;DULHSWGMKNKJRC-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333209;MM333209;CC1(C#N)CC(=NO)NN1;AYTLQUOZJTUYRU-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333210;MM333210;C=CC1(C)CC(=CC)CO1;LIBSRRIKLKBQQM-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333211;MM333211;N=C(CC(=NO)NN)NN;WSYWGMICMTYBML-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333212;MM333212;C=CC1(C)CC(=CF)CO1;DIYWRHWRBHFPEX-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333213;MM333213;N=C(CC(=NN)NO)NO;BCJDKLJRWWQBMU-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333214;MM333214;CC=C1COC(C)(C=O)C1;LYLDEZQIZVVBCC-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333215;MM333215;N=C(CC(=NO)NO)NN;ZGRCSGGHBUSOBC-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333216;MM333216;CC=C1COC(C)(C#N)C1;WHEVRDRDCFZQDM-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333217;MM333217;N=C(CC(=NO)NO)NO;QBHUWIOMGZWESK-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333218;MM333218;CC1(C=O)CC(=CF)CO1;RXGIBNOBGFWKJU-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333219;MM333219;CN=C(CC(=O)NN)NC;QUSMUOLPRBGBPY-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333220;MM333220;CC1(C#N)CC(=CF)CO1;HBEIPLZGYQJAHJ-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333221;MM333221;CN=C(CC(=O)NO)NN;LAAKZOBDZKSRMH-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333222;MM333222;C=CC1(C)CC(=NN)CO1;ILMZBDSXEFPCTO-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333223;MM333223;NN=C(CC(=O)NO)NO;UDIWJMHZXCNBIJ-UHFFFAOYSA-N;148.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333224;MM333224;C=CC1(C)CC(=NO)CO1;BCGANNPKNWWEHX-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333225;MM333225;CNC(=O)CC(=NO)NO;IYQDSKYOPBMFMQ-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333226;MM333226;CC1(C=O)CC(=NO)CO1;OJLFSPKXVROTDZ-UHFFFAOYSA-N;143.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333227;MM333227;NNC(=O)CC(=NO)NO;DIPNCMUUIXRKDJ-UHFFFAOYSA-N;148.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333228;MM333228;CC1(C#N)CC(=NO)CO1;LASTXLDILFIJNN-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333229;MM333229;O=C(CC(=NO)NO)NO;SRDXRXIZELZXPX-UHFFFAOYSA-N;149.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333230;MM333230;CC(=CC1CC1O)CF;COXHSXCHCVEFPF-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333231;MM333231;C=C(CC(=NC)NC)OC;VAKNMPSKVXLTQR-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333232;MM333232;C=C(C#N)C1CC(O)C1;HIBWLTQIMZIBNR-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333233;MM333233;OCCC1CC1C(F)CF;GXLMPJJJPATRKC-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333234;MM333234;C=NN1CC(C=O)C1C;CBCZXZIRLAVYLQ-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333235;MM333235;C=C(CC(=NO)NO)OC;ORVXJMIPGZJHRW-UHFFFAOYSA-N;146.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333236;MM333236;C=CC1(C)CCC(=NC)N1;DIUUVSONNDCKQV-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333237;MM333237;COC(C)C1CC1CCO;QZRQRSGBLJWELU-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333238;MM333238;C=CC1(C)CCC(=NN)N1;VOTIRAKZEOTPPF-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333239;MM333239;COC(=O)CC(=NO)NO;LWDLRZLOASEXJK-UHFFFAOYSA-N;148.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333240;MM333240;C=CC(C=C)CCCO;IMLCNYRWJUJJHV-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333241;MM333241;C=C(CC)CC(=CC)OC;NJWOUUHOUIQWDJ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333242;MM333242;CN=C1CCC(C)(C=O)N1;ULFGCKHUXCSRSR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333243;MM333243;C=C(CN)CC(=CC)OC;SNSXRPIFMAJEBN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333244;MM333244;CN=C1CCC(C)(C#N)N1;OHXZLCKCZPGSBY-UHFFFAOYSA-N;137.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333245;MM333245;C=C(CO)CC(=CC)OC;QISIKSXDPPZMJT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333246;MM333246;C#CCCC(=CC)CO;PYSGUPIRYPKZGO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333247;MM333247;C=C(CF)CC(=CC)OC;IVJVRHGFWBFGBN-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333248;MM333248;CC1(C#N)CCC(=NO)N1;KTHPBROZEQLHIN-UHFFFAOYSA-N;139.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333249;MM333249;C=C(CC)CC(=CF)OC;LQFKMOJWBLCZMU-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333250;MM333250;C=C(CO)CC(=CF)OC;KHUNEIHQOOUCTH-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333251;MM333251;C=CC1(C)CNC(=NC)N1;MLBUWZWYWLVOLL-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333252;MM333252;CC=C(CC(=O)CC)OC;AYWADGRORCYOOA-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333253;MM333253;C=CC1(C)CNC(=NN)N1;YFYWAIFIVBUURH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333254;MM333254;CN=C1NCC(C)(C=O)N1;VXINBYOOIIRATK-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333255;MM333255;CCC(=O)CC(=CF)OC;WPZABAOZRCFTJF-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333256;MM333256;C#CC(C=CCF)CO;PJCXKDMTKGIBEW-UHFFFAOYSA-N;128.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333257;MM333257;COC(=CF)CC(=O)CF;INJAPFMSDLOTEO-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333258;MM333258;CC1(C#N)CNC(=NO)N1;VVZUMJXDDHERLX-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333259;MM333259;CC=C(CC(=N)NC)OC;XOFPCGONHGOOPX-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333260;MM333260;C#CCC=C(CC)CO;FQFXGOBZDNUFQV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333261;MM333261;CNC(=N)CC(=CF)OC;OVSJSOBULYBJKF-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333262;MM333262;C=CC1(C)COC(=NO)N1;RHRJLGSTCAZUCK-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333263;MM333263;CC=C(CC(=O)NC)OC;LYWMPOGBRHWCKL-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333264;MM333264;CN=C1NC(C)(C=O)CO1;DMIPGTVWHZJTFN-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333265;MM333265;C=C(CC(=CC)OC)OC;KJJGQMYRFMAPDV-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333266;MM333266;CC1(C=O)COC(=NO)N1;FIOWVFIRNRGCTK-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333267;MM333267;C=C(CC(=CF)OC)OC;IXDUDCRJFDHSGS-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333268;MM333268;CC1(C#N)COC(=NO)N1;QMGUTAUJDDVDDW-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333269;MM333269;CC=C(CC(=O)OC)OC;RHCDHQUKOQQBHS-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333270;MM333270;C=CC1(C)CCC(=CC)O1;CMOQMCPTTYXWDS-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333271;MM333271;COC(=O)CC(=CF)OC;RGXQYJHBCPATGZ-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333272;MM333272;C=CC1(C)CCC(=CF)O1;HGXRIGPHVIPOMY-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333273;MM333273;C=CC(C)C1CC1CCO;WGWKXZZKFZPLEI-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333274;MM333274;CC=C1CCC(C)(C=O)O1;AKCMKGANWRMNAX-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333275;MM333275;C=CC(F)C1CC1CCO;RVUFJXWNFOUAQI-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333276;MM333276;CC=C1CCC(C)(C#N)O1;ZZACGZKUTMLOLW-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333277;MM333277;C=C(CF)CC(=NO)OC;BZABCHJKBAEYGG-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333278;MM333278;CC1(C=O)CCC(=CF)O1;AXQPTBHTQBUSMW-UHFFFAOYSA-N;144.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333279;MM333279;COC(CC(=N)NN)=NN;VWMLWTJFWCEQRG-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333280;MM333280;CC1(C#N)CCC(=CF)O1;SCBAZNIOPXXILF-UHFFFAOYSA-N;141.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333281;MM333281;COC(CC(=N)NO)=NN;CTZDKYZZSWEZPG-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333282;MM333282;C=CC(=CC=CC)CO;GIJKZUTYUZPSNS-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333283;MM333283;N#CC(F)C1CC1CCO;JTURHHSLKJYICD-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333284;MM333284;C=CC1(C)CCC(=NO)O1;INOJXWLEZUAUIE-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333285;MM333285;C#CC(F)C1CC1CCO;LLUTYWCSIGQLMR-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333286;MM333286;CC1(C=O)CCC(=NO)O1;QSOOJERDEBEJEF-UHFFFAOYSA-N;143.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333287;MM333287;CC#CC1NC1C(=O)C=O;JXMXNXRKKWVORG-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333288;MM333288;CC1(C#N)CCC(=NO)O1;CACBAIOZZAIPTG-UHFFFAOYSA-N;140.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333289;MM333289;C=CC(=CC=CF)CO;RQBZKFRKIZJESO-UHFFFAOYSA-N;128.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333290;MM333290;C=C(CC(=NO)OC)OC;JRZDDQCHKROZGE-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333291;MM333291;C=CC1(C)CNC(=NO)O1;OWKUNAHBLVBAGA-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333292;MM333292;CC=C(CC)NC(=N)CC;SUNXBXOMTVEMRP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333293;MM333293;CC1(C=O)CNC(=NO)O1;OZOMEYBZYOYFJT-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333294;MM333294;CC=C(CC)NC(=N)CN;VMLJYBDXVZCVOM-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333295;MM333295;CC1(C#N)CNC(=NO)O1;ABGJOJFZCYTABR-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333296;MM333296;CC=C(CC)NC(=N)CO;SOPSEQBALRCLJN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333297;MM333297;C=C1CC=C(CO)CC1;NXDZLBBQUSOYCW-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333298;MM333298;CCC(=CF)NC(=N)CN;URHSWYUUCPMYKK-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333299;MM333299;CC1(C#N)COC(=NO)O1;HVDUVBPAKVNIFT-UHFFFAOYSA-N;142.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333300;MM333300;CC=C(CN)NC(=N)CN;FTSZWFIDEDTPGT-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333301;MM333301;C=CC1(C)OCC(=CC)O1;VITBSHPWHWNINY-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333302;MM333302;CC=C(CO)NC(=N)CN;ZGLJOYQQIZPHGK-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333303;MM333303;CC=C1COC(C)(C=O)O1;FACBCPQFGUPIQR-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333304;MM333304;CCCCC1CC1CCO;PNLBFKFFXCKXKE-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333305;MM333305;CC=C1COC(C)(C#N)O1;DYDBEHJTJNNFIZ-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333306;MM333306;CC=C(CF)NC(=N)CC;QDYIQDWLOBBNSH-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333307;MM333307;CC1(C#N)OCC(=CF)O1;FTDHGQBCYVYRPH-UHFFFAOYSA-N;143.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333308;MM333308;CC=C(CF)NC(=N)CN;QGVUFDJWXNLDQR-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333309;MM333309;C#CC1NC1C(C)C=O;KOWMEHNIQRKEKT-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333310;MM333310;CC=C(CC)NC(=O)CC;XSWZBPYPDGICDD-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333311;MM333311;C=CC1(C)OCC(=NO)O1;HTWJDVQIBGKVCV-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333312;MM333312;CC=C(CC)NC(=O)CO;IIULDGQYBIPWQO-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333313;MM333313;CC1(C#N)OCC(=NO)O1;RYYLTLYRTSLWRT-UHFFFAOYSA-N;142.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333314;MM333314;CCC(=CF)NC(=O)CO;SIBIHZOEKGLJDB-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333315;MM333315;C=CC1(C)ONC(=NC)O1;XIRXOGBWRYYQDC-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333316;MM333316;CCC(=CF)NC(=O)CF;BJFITXHBWMFFJJ-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333317;MM333317;C=CC#CC1CC1CO;SEMLUACVBRTEQL-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333318;MM333318;CC=C(CN)NC(=O)CO;KEZBMVXNRDQTNZ-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333319;MM333319;C=CC1(C)ONC(=NO)O1;XVJDJLGVEVCMES-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333320;MM333320;CC=C(CN)NC(=O)CF;QFXSNEHKRRJEMB-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333321;MM333321;CC(O)C=CCC(C)(C)O;BAQWHXRQVDUZPO-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333322;MM333322;C#CC1(C)CCC(=CC)C1;PKUQPJPDMWIKBJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333323;MM333323;NCC(=CF)NC(=O)CO;PRQZBZMYGLWHPH-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333324;MM333324;C#CC1(C)CCC(=CF)C1;VOAPPCXZJRPIHO-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333325;MM333325;CC=C(CO)NC(=O)CC;IIBQOWILBVAILN-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333326;MM333326;C#CC1(N)CCC(=CC)C1;CODQIQKZLMKHPE-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333327;MM333327;O=C(CO)NC(=CF)CO;UHIDHMUWVZMOSA-UHFFFAOYSA-N;149.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333328;MM333328;C#CC1(N)CCC(=CF)C1;KQDVEDONPSUXGD-UHFFFAOYSA-N;139.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333329;MM333329;CC=C(CF)NC(=O)CC;BURFHBKBSLSMIM-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333330;MM333330;C#CC1(O)CCC(=CC)C1;DLKGRUQCUHUMDW-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333331;MM333331;CC=C(CF)NC(=O)CF;YNZCYARQAUGYEZ-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333332;MM333332;C#CC1(O)CCC(=CF)C1;MHZYHTFEBOWHOE-UHFFFAOYSA-N;140.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333333;MM333333;CC=C(CC)NC(=N)NC;LPHDRDBPCZUTIC-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333334;MM333334;C#CC1(F)CCC(=CC)C1;GDPIUHXNAFOTDU-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333335;MM333335;CC=C(CC)NC(=N)NN;WOVGVOHPLJWMHE-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333336;MM333336;C#CC1(F)CCC(=CF)C1;AXWNOPMLEWAYQC-UHFFFAOYSA-N;142.15;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333337;MM333337;CC=C(CC)NC(=N)NO;DCTNMOASEPIIIL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333338;MM333338;C#CC1(C)CCC(=NN)C1;PLFZAOWRQFDSKO-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333339;MM333339;CCC(=CF)NC(=N)NC;FZMPCGMFBLYXJM-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333340;MM333340;C#CC1(C)CCC(=NO)C1;WCGAZJAKVLLZJJ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333341;MM333341;CC=C(CO)NC(=N)NC;FHVWQVGHMZHGME-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333342;MM333342;C#CC1(N)CCC(=NO)C1;ZSPAEIZGFWDWIF-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333343;MM333343;CC=C(CC)NC(=O)NC;QPGPZGVUZJKVQC-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333344;MM333344;CC(O)C=CCC(C)(C)F;DLMBNQBHYWEDRT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333345;MM333345;CCOCC1CC1CCO;SJHFPDMBBPSVCF-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333346;MM333346;C#CC1(O)CCC(=NO)C1;CVXFGNJTNDVLHJ-UHFFFAOYSA-N;139.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333347;MM333347;CC=C(CC)NC(=O)NO;TXPNECZSIFUAGE-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333348;MM333348;C#CC1(F)CCC(=NN)C1;MFARFPHBJXTBJL-UHFFFAOYSA-N;140.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333349;MM333349;N#CCCC1CC1CCO;VHYUQVOXMJHZBP-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333350;MM333350;C#CC1(F)CCC(=NO)C1;IHBJCCGEUTVDFW-UHFFFAOYSA-N;141.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333351;MM333351;CCC(=CF)NC(=O)NO;GTPYKGXLBKLVAX-UHFFFAOYSA-N;148.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333352;MM333352;C#CC1(C)CNC(=NC)C1;BEHSXEVCDRKJGZ-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333353;MM333353;CC=C(CC)NC(=N)OC;LEMXLOCAWVENPL-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333354;MM333354;C#CC1(C)CN=C(NN)C1;JQIDMZQTDFZRTN-UHFFFAOYSA-N;137.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333355;MM333355;CC=C(CN)NC(=N)OC;YSVGBOAKAMQZCW-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333356;MM333356;C#CC1(N)CNC(=NC)C1;PBLBXHZXFCRJGU-UHFFFAOYSA-N;137.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333357;MM333357;C=NNCC1CC1CCO;QOAAGLMFZAYSGO-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333358;MM333358;C#CC1(O)CNC(=NC)C1;VZGFDPBPFUJCHE-UHFFFAOYSA-N;138.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333359;MM333359;CC=C(CC)NC(=O)OC;KIWURBIQQOLHJG-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333360;MM333360;C#CC1(O)CNC(=NO)C1;POPDFOBRWRNBIV-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333361;MM333361;CC=C(CN)NC(=O)OC;RDGUZOCJTKBRAA-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333362;MM333362;C#CC1(F)CNC(=NC)C1;YWQOTPBBBIUAPR-UHFFFAOYSA-N;140.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333363;MM333363;COC(=O)NC(=CF)CO;BJDNWHURJLSYIU-UHFFFAOYSA-N;149.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333364;MM333364;C#CC1(F)CNC(=NO)C1;ZNXRZZGRNBMGPE-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333365;MM333365;CC=C(CF)NC(=O)OC;HBYUZZKNHGNTBM-UHFFFAOYSA-N;147.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333366;MM333366;C#CC1(C)COC(=CC)C1;WJAAVYLDCLLPEJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333367;MM333367;COC(=O)NC(=CF)CF;ARAZUZGIIOLJGC-UHFFFAOYSA-N;151.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333368;MM333368;C#CC1(C)COC(=CF)C1;XTRVGFYRUPSZLR-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333369;MM333369;C#CC1(N)COC(=CC)C1;NBXLHMWSXQAZAA-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333370;MM333370;C=C(CC)N=C(CC)NC;OLZVDFZIYPTUNG-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333371;MM333371;C#CC1(N)COC(=CF)C1;PDHAVDBWRYRDPZ-UHFFFAOYSA-N;141.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333372;MM333372;C=C(CO)N=C(CC)NC;CRVXKJUHSVGHMQ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333373;MM333373;C#CC1(O)COC(=CC)C1;UGGOBMVMFWPNPS-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333374;MM333374;C=C(CF)NC(CC)=NC;BXDFCVATEYLFTQ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333375;MM333375;C#CC1(F)COC(=CC)C1;TVPZSFINPLPAHA-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333376;MM333376;C=C(CC)N=C(CC)NN;FCCZAGMRDVHOEI-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333377;MM333377;CC(O)C=CCCC(C)O;UMZRGKKRTVDBOO-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333378;MM333378;C=C(CF)NC(CC)=NN;DBOPGODLXOACCQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333379;MM333379;C#CC1(C)COC(=NO)C1;KILSQJDMOCIHAO-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333380;MM333380;C=C(CC)N=C(CC)NO;UTFPZQNHCXHBFR-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333381;MM333381;C#CC1(O)COC(=NN)C1;YPGJXXWHBIZWFQ-UHFFFAOYSA-N;140.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333382;MM333382;C=COCC1CC1CCO;NEIKAIDQALFRFN-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333383;MM333383;C#CC1(O)COC(=NO)C1;MBQRURVGNSURII-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333384;MM333384;C=C(CC)N=C(CN)NC;HRHGKCLLXWJINL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333385;MM333385;C=CC(=C)CC(C)C(N)=O;UZLVAXPDZGLMJY-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333386;MM333386;C=C(CN)N=C(CN)NC;OHJNVGHIWRZYGJ-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333387;MM333387;C#CC1(F)COC(=NO)C1;YLTVBWCMTNSRNN-UHFFFAOYSA-N;143.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333388;MM333388;C=C(CO)NC(CN)=NC;JIXMEOIGNJJQQV-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333389;MM333389;C#CC1(C)CC(=CC)CN1;XHKJIORFXVGTAC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333390;MM333390;C=C(CC)N=C(CO)NC;DSDNLUGFLLKJML-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333391;MM333391;C#CC1(C)CC(=CF)CN1;XUMSYNYGXQOKAM-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333392;MM333392;C=C(CN)NC(CO)=NC;ABZJNOMRQXIEKY-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333393;MM333393;C#CC1(C)CC(=NC)NN1;ITEFMMIUPAUOKH-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333394;MM333394;C=C(CO)NC(CO)=NC;IEJJUTLNADIDNE-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333395;MM333395;C=CC(C)C=C(C)C(N)=O;UKPXUFFJAYPGGP-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333396;MM333396;C=NOCC1CC1CCO;BLFDDOLDDGBIEN-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333397;MM333397;C#CC1(C)CC(=CC)CO1;FYKVQJHMWMPOTO-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333398;MM333398;CCC(=N)NC(CC)=NC;HVLLAKBWUXPAEU-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333399;MM333399;C#CC1(C)CC(=CF)CO1;ARHDUKPAMYWYCY-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333400;MM333400;C#CC1(C)CC(=NN)CO1;MEXONDINMASDJF-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333401;MM333401;CCC(=NC)NC(=N)CO;NKXQMMFQFCSVFT-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333402;MM333402;C#CC1(C)CC(=NO)CO1;LTAHLCFBDSKEBI-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333403;MM333403;CCC(=NC)NC(=N)CF;JHOAGZYAMVMLDL-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333404;MM333404;CC1(O)C=CC(CC#N)=C1;ZARLIOBZJUJBQH-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333405;MM333405;CCC(=N)NC(CO)=NC;GYZNJZBGPZBBFG-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333406;MM333406;C=C(C)CCC(=C)C(N)=O;OXEMGWGSHRTSLO-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333407;MM333407;CCC(=N)NC(CO)=NN;KXDHJLSIWKHTIJ-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333408;MM333408;C#CC1(C)CCC(=NC)N1;AUHOCDFPMMFDOB-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333409;MM333409;C#CCCC1CC1CCO;GQPGYXZINSRSAO-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333410;MM333410;C#CC1(C)CCC(=NO)N1;FNQKVKVJUINGLX-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333411;MM333411;N=C(CF)NC(CO)=NO;OOEGFRNZJLZTCD-UHFFFAOYSA-N;149.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333412;MM333412;C#CC1(C)CNC(=NC)N1;CCQZRSJTSZFDJJ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333413;MM333413;CC#CCC1CC1CCO;LBGKNZOFSOUGAE-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333414;MM333414;C#CC1(C)CNC(=NN)N1;WCQRFVVWLWVAEP-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333415;MM333415;CCC#CC1CC1CCO;XLXXRAUAJMPVJY-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333416;MM333416;C=C(C)CC=C(C)C(N)=O;AFTWSIIWIVHRNS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333417;MM333417;CCC(=NC)NC(=O)CO;IYMATBIRJNQVFO-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333418;MM333418;C#CC1(C)COC(=NC)N1;WWLVRPKTAYKIND-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333419;MM333419;CCC(=NC)NC(=O)CF;JBSXZIAMWIACHI-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333420;MM333420;CC(O)C=CCC(C)CF;RASQYGXWRLKTLG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333421;MM333421;CCC(=NN)NC(=O)CO;SXVJKARRTUPKPY-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333422;MM333422;C#CC1(C)COC(=NO)N1;AWTCPMQOKKLNQY-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333423;MM333423;CCC(=O)NC(CO)=NC;SOKQROBKWRNLLZ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333424;MM333424;C#CC1(C)CCC(=CC)O1;YNHHUBDTCKGQPZ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333425;MM333425;CN=C(CO)NC(=O)CO;BMOZJKNIOSSACP-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333426;MM333426;C#CC1(C)CCC(=CF)O1;DQZMCMSAROMOJY-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333427;MM333427;NN=C(CO)NC(=O)CO;PJDLQZBIRYVVMP-UHFFFAOYSA-N;147.13;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333428;MM333428;CC(O)C=CCC(F)CF;LOYSSUMEVOZDKS-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333429;MM333429;NN=C(CO)NC(=O)CF;XVMQCTVLDVXALY-UHFFFAOYSA-N;149.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333430;MM333430;C#CC1(C)CCC(=NO)O1;OYGVQEQMUPSYAF-UHFFFAOYSA-N;139.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333431;MM333431;CCC(=O)NC(CO)=NO;PCMCEVREMOOHCX-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333432;MM333432;CC(O)C=CCC(C)C=O;ZQXNBZYWIGDDSG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333433;MM333433;C#CC1(C)CNC(=NO)O1;KWRHQXSZBODAHD-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333434;MM333434;O=C(CO)NC(CO)=NO;WUBCOJPNXGDEAR-UHFFFAOYSA-N;148.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333435;MM333435;C=CC(O)CC=CC(C)O;DOLAPPHNYLNDJM-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333436;MM333436;NN=C(CF)NC(=O)CO;NZLNLFYMUDLONG-UHFFFAOYSA-N;149.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333437;MM333437;C#CC1(C)COC(=NO)O1;CHEKVYKGSJAYRH-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333438;MM333438;CCC(=NC)NC(=N)NC;GQGWOGPYAGMSTG-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333439;MM333439;C#CC1(C)OCC(=CC)O1;PTTNDWZTWDWFPG-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333440;MM333440;CCC(=NC)NC(=N)NN;AZWXZBCRMGJXTE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333441;MM333441;C#CC1(C)OCC(=CF)O1;XXCGBGLZBMFVPZ-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333442;MM333442;CCC(=NC)NC(=N)NO;IRGQOWSZOPIKFX-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333443;MM333443;C#CC1(C)OCC(=NO)O1;NJWRKIRVYXIPKV-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333444;MM333444;CCC(=NN)NC(=N)NN;DGXSAIWJHDPDSH-UHFFFAOYSA-N;144.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333445;MM333445;CC(O)C=CCC(F)C#N;ZOQIWJZPALDDTF-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333446;MM333446;CCC(=NO)NC(=N)NN;YDCHSNFPRMIWST-UHFFFAOYSA-N;145.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333447;MM333447;C=C(C=C(C)C)C(=C)CO;YNSUBPVNFMYXGH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333448;MM333448;CN=C(CO)NC(=N)NN;UXNHZICCGZSDHJ-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333449;MM333449;C#CC1(C)ONC(=NO)O1;IKLBPRWKBCYSBE-UHFFFAOYSA-N;142.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333450;MM333450;CN=C(CO)NC(=N)NO;GBARUFXDBBORAZ-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333451;MM333451;CCC1C=CC(C)(CC)C1;GBXNSQONGUFBLV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333452;MM333452;N=C(NN)NC(CO)=NN;DFXHZJZZQQVXDA-UHFFFAOYSA-N;146.15;-2.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333453;MM333453;CCC1(C)C=CC(CN)C1;CNTJUTDYXIIVKM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333454;MM333454;CN=C(CF)NC(=N)NC;WASMVHHIJJZCNJ-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333455;MM333455;CCC1C=CC(C)(CN)C1;SGIXAUKHNPMADL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333456;MM333456;CN=C(CF)NC(=N)NN;KYQWIOWQIVWBPK-UHFFFAOYSA-N;147.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333457;MM333457;CC1(CN)C=CC(CN)C1;BDISLBWKZLGRKM-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333458;MM333458;N=C(NO)NC(CF)=NN;IRSQRUMUBXPSRL-UHFFFAOYSA-N;149.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333459;MM333459;CC(O)C=CCCCC=O;CIMHGQPZESAIPX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333460;MM333460;C=CC=NN=CCCC=O;UBONVEFNTMHFOP-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333461;MM333461;CC(O)C=CCCOC=O;CXYDEQMVESFONK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333462;MM333462;CCC(=NC)NC(=O)NO;VZEUSCCJQRBKIR-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333463;MM333463;CC1(CF)C=CC(CN)C1;HKKNMMVWTWHOAH-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333464;MM333464;CCC(=NN)NC(=O)NC;LCZSOPKOQNFESD-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333465;MM333465;CCC1C=CC(N)(CC)C1;MLVOQPDVQJEZQT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333466;MM333466;CCC1(N)C=CC(CN)C1;PHKKBVGSMADMRM-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333467;MM333467;CCC(=NO)NC(=O)NC;MTWWLSWKIXUBOX-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333468;MM333468;CCC1(N)C=CC(CO)C1;JGULDUKDYGSXFX-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333469;MM333469;NN=C(CO)NC(=O)NN;RKHSAWGUXXEBNS-UHFFFAOYSA-N;147.14;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333470;MM333470;NN=C(CO)NC(=O)NO;ZREVAUDKAKAQIV-UHFFFAOYSA-N;148.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333471;MM333471;CCC1C=CC(N)(CN)C1;DQBIQQPDXPJHFM-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333472;MM333472;NNC(=O)NC(CO)=NO;YDWUJGUQZVUFHA-UHFFFAOYSA-N;148.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333473;MM333473;NCC1C=CC(N)(CN)C1;XQNBAIJTTGZNLU-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333474;MM333474;C=C(N=C(CC)NC)OC;SSGQJGZFEXCROT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333475;MM333475;NCC1(N)C=CC(CO)C1;AIWFTNGIZKYWNJ-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333476;MM333476;C=C(N=C(CC)NN)OC;FLPPTPIOILNQRZ-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333477;MM333477;CCC1C=CC(N)(CO)C1;ALEADMKRMHGDFB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333478;MM333478;C#CC1C(C#C)C1CCO;GASKCUFFIHNWDR-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333479;MM333479;NCC1C=CC(N)(CF)C1;GYINNXYNXYSNKS-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333480;MM333480;CC=CC1CC1O;UYLHOJVXWSUJCK-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333481;MM333481;CC=CCCC=CC(C)O;FFGREWFMQSAERF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333482;MM333482;C=CCC=CC(C)O;CRFUBNRBRCLIIV-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333483;MM333483;CCC1(O)C=CC(CN)C1;PKTQJNGRMBEJCS-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333484;MM333484;CN1CC1(C)CC=O;NWIARSSCZLPWKF-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333485;MM333485;CCC1(O)C=CC(CO)C1;KBPVJYOIWAWPDO-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333486;MM333486;CCC1(O)C=CC(CF)C1;MZAOYZXNRYELNZ-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333487;MM333487;COC(=N)NC(CO)=NO;ITAMEJDSZIWOTL-UHFFFAOYSA-N;147.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333488;MM333488;CCC1C=CC(O)(CN)C1;YDMCDHJYAHEIKF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333489;MM333489;CC(C)CC1CC1O;YDVWNJFAHMYJPW-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333490;MM333490;NCC1C=CC(O)(CN)C1;FMYVLSSJPSHARW-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333491;MM333491;CCC(=NN)NC(=O)OC;IATTUYBVARKRPY-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333492;MM333492;CCC1C=CC(O)(CO)C1;XBBONFYQGXNMPO-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333493;MM333493;CCC(=NO)NC(=O)OC;ZAILBXIFOUTEFY-UHFFFAOYSA-N;146.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333494;MM333494;NCC1C=CC(O)(CO)C1;NFSLBOXTOBQRJB-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333495;MM333495;CN=C(CO)NC(=O)OC;SALHVXRAVWISKI-UHFFFAOYSA-N;146.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333496;MM333496;OCC1C=CC(O)(CO)C1;FKAYAYGBOAHERS-UHFFFAOYSA-N;144.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333497;MM333497;COC(=O)NC(CO)=NN;RPRSEOGUHIRREF-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333498;MM333498;OCC1(O)C=CC(CF)C1;SKEVIWZLXOHGSO-UHFFFAOYSA-N;146.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333499;MM333499;COC(=O)NC(CF)=NN;WLCOZROVHCSXGH-UHFFFAOYSA-N;149.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333500;MM333500;OCC1C=CC(O)(CF)C1;MIGPBILQLPADBG-UHFFFAOYSA-N;146.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333501;MM333501;C=C(CC)NC(=NC)NC;STTXYJLLMBXPSL-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333502;MM333502;CCC1C=CC(F)(CC)C1;NCIKVKNQYMYLTR-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333503;MM333503;C=C(CN)NC(=NC)NC;OSPUPJHNIYZHKF-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333504;MM333504;CCC1(F)C=CC(CN)C1;GGRQBYUSQIMFIU-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333505;MM333505;C=C(CO)NC(=NC)NC;HTZJVSSFHXBJDO-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333506;MM333506;CCC1(F)C=CC(CF)C1;HHBYCWLORMBHNI-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333507;MM333507;C=C(CC)NC(=NN)NC;LBMMBXWGHGIBDI-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333508;MM333508;CCC1C=CC(F)(CN)C1;QNFJHTPHHYOTLV-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333509;MM333509;C=C(CO)NC(=NN)NC;ZKJSIUDIEMUNPS-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333510;MM333510;NCC1C=CC(F)(CN)C1;VRJINILTYFFIOS-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333511;MM333511;CCC1C=CC(F)(CO)C1;LUUAJIUAEQNNHT-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333512;MM333512;C=C(CC)NC(=NC)NN;LBMMBXWGHGIBDI-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333513;MM333513;NCC1C=CC(F)(CO)C1;UHMXGPWEJIVRJR-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333514;MM333514;C=C(CO)NC(=NC)NN;ZKJSIUDIEMUNPS-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333515;MM333515;CCC1(C)C=CC(NC)C1;LESFWPHMFQSBKP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333516;MM333516;C=C(CO)NC(=NN)NN;QAQBNFZPCIESKX-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333517;MM333517;CNC1C=CC(C)(CN)C1;GITZWSKMCLNIFD-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333518;MM333518;C=NN(C)C(C)C=O;KJXLFABCZVNSBZ-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333519;MM333519;CNC1C=CC(C)(CO)C1;RQTQYOUSJFAKRO-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333520;MM333520;CCC(=N)NC(=NC)NC;XHHCHNGNDBCXJD-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333521;MM333521;CCC1(N)C=CC(NC)C1;GRDRNMBXJQKLJX-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333522;MM333522;CCC(=N)NC(=NN)NN;MENGXQITUFZDRV-UHFFFAOYSA-N;144.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333523;MM333523;CNC1C=CC(N)(CN)C1;ZMZLKNYYQNBRAZ-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333524;MM333524;N=C(CF)NC(=NN)NN;YKZOJHLIIMBBIN-UHFFFAOYSA-N;148.15;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333525;MM333525;CNC1C=CC(N)(CO)C1;ATXSTKOIKMRTFX-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333526;MM333526;CCC(=N)NC(=NC)NO;FTIUEEZQQQNUHY-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333527;MM333527;CCC1(O)C=CC(NC)C1;PUCVQPRFGWIVRK-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333528;MM333528;CCC(=N)NC(=NN)NO;VWZBCBNZGKZHPJ-UHFFFAOYSA-N;145.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333529;MM333529;CNC1C=CC(O)(CN)C1;ZTJGNAXIJPDXDI-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333530;MM333530;CCC(=O)NC(=NC)NC;WKVGOOHBTJVQIS-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333531;MM333531;CNC1C=CC(O)(CO)C1;FIKHIFVMMFOZJA-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333532;MM333532;CN=C(NC)NC(=O)CN;WOQRQFKHZZIDJD-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333533;MM333533;CCC1(F)C=CC(NC)C1;XDJOPSMMCMNQDT-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333534;MM333534;C=CC(C)=C(C)CO;QDLPYESBIBVTRN-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333535;MM333535;CNC1C=CC(F)(CN)C1;NGSQXGCJYVHLGP-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333536;MM333536;CNC1C=CC(F)(CO)C1;FPBQAZJMFTYYMW-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333537;MM333537;CCC(=O)NC(=NC)NN;OAYKIPGNFDXUDA-UHFFFAOYSA-N;144.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333538;MM333538;CCC1(C)C=CC(OC)C1;IUZVNPGVPWEFLC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333539;MM333539;C=CCC(=CC)CO;KEZJKJKIMQLHRG-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333540;MM333540;COC1C=CC(C)(CN)C1;QCBZDNQCZZJGAU-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333541;MM333541;C=CC=C(CC)CO;HEUGFZFVRXQNMI-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333542;MM333542;COC1C=CC(C)(CO)C1;HZCDJSYTCKBHCE-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333543;MM333543;Nc1ncc(F)cn1;FUNBZJKZJGKXQB-UHFFFAOYSA-N;113.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333544;MM333544;CCC1(N)C=CC(OC)C1;HTMFMNPFQKCQLX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333545;MM333545;CCC(=O)NC(=NO)NO;GTQLBIVJPMQQTK-UHFFFAOYSA-N;147.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333546;MM333546;COC1C=CC(N)(CN)C1;HCXDUJWSYYGRSB-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333547;MM333547;O=C(CO)NC(=NO)NO;DPDPNCHNKKBCKM-UHFFFAOYSA-N;149.11;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333548;MM333548;COC1C=CC(N)(CO)C1;HWBXQQMMRPPWLS-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333549;MM333549;CN=C(NC)NC(=N)NC;QGRRACUVBWMVOX-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333550;MM333550;COC1C=CC(N)(CF)C1;HUXCCEKDYHZPRF-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333551;MM333551;CNC(=N)NC(=NN)NC;BBGBEZAHMYTHLW-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333552;MM333552;CCC1(O)C=CC(OC)C1;QIGYNGDMDINWNN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333553;MM333553;CNC(=N)NC(=NO)NC;RHEKCLCTMKNNBC-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333554;MM333554;COC1C=CC(O)(CN)C1;ZWUVHSAGWAJCFC-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333555;MM333555;CN=C(NN)NC(=N)NC;BBGBEZAHMYTHLW-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333556;MM333556;CCC1(F)C=CC(OC)C1;ZVMSAEGLUCROEZ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333557;MM333557;O=CCC1=NNCC1;RIMGMWBYBDDZIK-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333558;MM333558;CCC1C=CC(C)(NC)C1;WJSWPIFTHMOISW-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333559;MM333559;CN=C(NC)NC(=N)OC;XSQWIFFJYDAESZ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333560;MM333560;CNC1(C)C=CC(CN)C1;ZAIPZJDKVKXTJR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333561;MM333561;C#CC(=C)C1CC1O;RJBFHAQAQOQZBY-UHFFFAOYSA-N;108.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333562;MM333562;CNC1(C)C=CC(CO)C1;QSXIYURRYCTWJK-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333563;MM333563;CCC=CC1CC1O;KXJVBUNTPYGTRF-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333564;MM333564;CNC1C=CC(C)(NC)C1;WBPCYVOTDAGCHJ-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333565;MM333565;CC=C(NC(=N)CC)OC;CBVAQJJHZRQBFO-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333566;MM333566;CCC1C=CC(C)(OC)C1;DQCCQOSUXHYPAV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333567;MM333567;CC=C(NC(=N)CN)OC;XWMJKXSWVCBZTE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333568;MM333568;COC1(C)C=CC(CN)C1;AEQIGJPWGXYJQP-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333569;MM333569;CC=C(NC(=N)CF)OC;DMJSMVIHIVCDCF-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333570;MM333570;COC1(C)C=CC(CO)C1;RFZLBSYCPOLBHJ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333571;MM333571;CCC(=N)NC(=CF)OC;DGPWJAPBBYETTL-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333572;MM333572;CNC1C=CC(C)(OC)C1;KGXYYKWNPKAOGU-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333573;MM333573;COC(=CF)NC(=N)CN;UYHGTNIPGCPTAR-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333574;MM333574;COC1C=CC(C)(OC)C1;RBQJAABFMJKNGV-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333575;MM333575;OC1CC1C=CCF;BISXWJSFEQGWBA-UHFFFAOYSA-N;116.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333576;MM333576;CCC1C=CC(C)(CC)N1;ZWBHFZWBNGGPDI-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333577;MM333577;CC=C(NC(=O)CF)OC;MMECSRXYUGXJHD-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333578;MM333578;CCC1(C)C=CC(CN)N1;PWHYFNSPANBSEE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333579;MM333579;CCC(=O)NC(=CF)OC;MRPBHVGMRORDRV-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333580;MM333580;CCC1(C)C=CC(CO)N1;OIVKIPDGVKJXOA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333581;MM333581;COC(=CF)NC(=O)CO;CEPCKJXKSIHZNI-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333582;MM333582;CCC1C=CC(C)(CN)N1;LPNPTCQDGHYYTM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333583;MM333583;COC(=CF)NC(=O)CF;FCAJJKPCLICVTI-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333584;MM333584;CC1(CN)C=CC(CO)N1;IDEACTUTTHLOHO-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333585;MM333585;COC(=CF)NC(=N)NN;WYSPVCROVNEIEL-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333586;MM333586;CC1(CO)C=CC(CN)N1;CBDXPTUVCOQCNQ-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333587;MM333587;CC=C(NC(=O)OC)OC;MPLIMEFVZLNXDP-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333588;MM333588;CC1(CO)C=CC(CO)N1;FAAFGZRLVWEKER-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333589;MM333589;OC1CC1CC1CC1;FLHJLHPSUDDXPD-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333590;MM333590;CCC1C=CC(C)(CC)O1;ZNJBPOOOFPNEDZ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333591;MM333591;CC1(CN)C=CC(CN)O1;JGHOZUXQESXTFL-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333592;MM333592;C=C(CC)NC(=NO)OC;FZONXCSYXWCRCX-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333593;MM333593;CC1(CN)C=CC(CO)O1;MPBMZHGPJVAPEQ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333594;MM333594;C=CC(C)(C)CC(N)=O;KKULOSSOHDGBTL-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333595;MM333595;CCC1C=CC(C)(CO)O1;QECAOGUYMWSCBU-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333596;MM333596;CCC(=O)NC(=NC)OC;DWSLLUNECOGKIH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333597;MM333597;CCC1(C)C=CC(OC)O1;FIIBYTGUUIDZNS-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333598;MM333598;CN=C(NC(=O)CO)OC;KMKLMYKQVPWLNB-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333599;MM333599;COC1C=CC(C)(CN)O1;QCEVLOTZUSHSLL-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333600;MM333600;CCC(=O)NC(=NN)OC;RUSQTIMSLCAQQB-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333601;MM333601;CCC1C=CC(C)(OC)O1;YCBOVLWQKSQQCI-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333602;MM333602;COC(=NN)NC(=O)CO;JCFDXDPHWAFPFL-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333603;MM333603;COC1(C)C=CC(CN)O1;PRACCTSAZOBGTP-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333604;MM333604;CCC(=O)NC(=NO)OC;YYMWYULZTBUPBK-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333605;MM333605;COC1(C)C=CC(CF)O1;OJKFLIDXJOGGOF-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333606;MM333606;COC(=NO)NC(=O)CO;MOBTVHPPNVEXTM-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333607;MM333607;CCN1CC(C)(CC)C=N1;RNAHVNNHIZPAFO-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333608;MM333608;CN=C(NC(=N)NC)OC;LSJJFZGHKLDJQA-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333609;MM333609;CCN1CC(C)(CN)C=N1;DNQYZRAPMZHULZ-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333610;MM333610;CN=C(NC(=N)NN)OC;WRWYFQNKHBFRBV-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333611;MM333611;CC(O)C=CCCC=NN;NDBBSQZCSLIZLU-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333612;MM333612;CNC(=N)NC(=NN)OC;VBHKZYWOWSOBID-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333613;MM333613;CCN1CC(N)(CN)C=N1;KRXWLIZIEBEAIS-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333614;MM333614;CN=C(NC(=O)NN)OC;NOHPYBKTQVZAAF-UHFFFAOYSA-N;146.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333615;MM333615;C=C(CC#CC=O)CCO;HHWMYBHHSDFLKT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333616;MM333616;COC(=NN)NC(=O)NN;YQAGSQIFPIFGCB-UHFFFAOYSA-N;147.14;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333617;MM333617;CCN1CC(O)(CN)C=N1;QUNGHRGCNWNHQK-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333618;MM333618;CC(C)C(C)(C)C(N)=O;WXVBAUOIPSBUQU-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333619;MM333619;CC(=CC#CCF)CCO;ZVCXJWQVEGKJLE-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333620;MM333620;COC(=O)NC(=NN)OC;GEYCRKCLHDHZFF-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333621;MM333621;CCN1CC(F)(CC)C=N1;ZJCXQRKXULEVIX-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333622;MM333622;C=C(CC)OC(=CC)CC;GWBVZAFVFIAFAZ-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333623;MM333623;C=CC#CC=C(C)CCO;PNXDUKATBWXODX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333624;MM333624;C=C(CN)OC(=CC)CC;OSJRRGFRNBCKQK-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333625;MM333625;CCN1CC(C)(OC)C=N1;AHKZPXKSPCYMQH-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333626;MM333626;C=C(CO)OC(=CC)CC;XDBPHNUNLFCJAT-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333627;MM333627;CCN1C=NC(C)(CC)C1;MBAXXMZCMZTRKN-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333628;MM333628;C=C(CF)OC(=CC)CC;CRUIKPSNUDBNAK-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333629;MM333629;CCN1C=NC(C)(CN)C1;ADBQPPLOFMSTEG-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333630;MM333630;C=C(CO)OC(=CF)CC;MXKNOQYDPTVMEQ-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333631;MM333631;CCN1C=NC(C)(CO)C1;LRGAIJMYVSJFSZ-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333632;MM333632;C=C(CN)OC(=CC)CN;LMBSQMBRSIXELB-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333633;MM333633;CCC1(C)CN(OC)C=N1;KYRFHFREWONAHC-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333634;MM333634;C=C(CO)OC(=CF)CN;GYKYAPUSWCPFJS-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333635;MM333635;C=CCCCC(=C)C(N)=O;IXTIFRLDRKTVCD-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333636;MM333636;C=C(CF)OC(=CC)CO;QAAPCEWURACVML-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333637;MM333637;C=CC1C=CC(C)(CC)C1;MULOKSHNYBCCNW-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333638;MM333638;C=C(CC)OC(=CF)CO;IIEQPCSKHLHRLU-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333639;MM333639;CCC1(C)C=CC(C=O)C1;DRDYXRDNOMKIKM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333640;MM333640;C=C(CN)OC(=CF)CO;XNVNIIOTJSYFSL-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333641;MM333641;CCC1(C)C=CC(C#N)C1;VPNBSUJUUMHKPG-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333642;MM333642;C=C(CN)OC(=CC)CF;NSXKPZDVYSFOKX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333643;MM333643;C=CC1C=CC(C)(CN)C1;NFKFHPNMTGWXTD-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333644;MM333644;C=C(CN)OC(=CF)CF;XOXJTTSYYOILRW-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333645;MM333645;C=C(CCC=CC)C(N)=O;CXOGRJNDNKRDML-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333646;MM333646;C=C(CO)OC(=CF)CF;GWMBRPSDNMECMF-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333647;MM333647;C=CC=CCC(C)C(N)=O;GWILSKAVXAVJRQ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333648;MM333648;CC=C(CC)OC(=O)CC;IOJGCHHEQXLLGT-UHFFFAOYSA-N;142.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333649;MM333649;C=CC1C=CC(C)(CF)C1;XJFKHPVKAAKEEK-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333650;MM333650;CC=C(CC)OC(=O)CF;PVBOMYAHTGXWPV-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333651;MM333651;CC1(CF)C=CC(C#N)C1;DECVHEDOWVKJDH-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333652;MM333652;CCC(=O)OC(=CF)CC;MGFZCCPTNZMWMS-UHFFFAOYSA-N;146.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333653;MM333653;C=CC1C=CC(N)(CC)C1;BGVUJMRPKACFIN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333654;MM333654;CC=C(CN)OC(=O)CC;ZYMAKWAXNYYOBA-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333655;MM333655;C=CC1C=CC(N)(CN)C1;CIJBYBJNPDSSBR-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333656;MM333656;CC=C(CN)OC(=O)CO;HWAARICMZKDOIL-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333657;MM333657;C=CCCC=C(C)C(N)=O;RGZHYWDLFNJQDR-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333658;MM333658;CC=C(CO)OC(=O)CC;RIBSZZITDYWTFI-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333659;MM333659;CCC1(O)C=CC(C=O)C1;YWQQOPWSTNHZSE-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333660;MM333660;CC=C(CF)OC(=O)CC;SEHFHOIMAPMOLH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333661;MM333661;CCC1(O)C=CC(C#N)C1;JRDHBYBXPCVSPI-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333662;MM333662;CC=C(CF)OC(=O)CO;HHKKFGHQOKPRTB-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333663;MM333663;C=CC1C=CC(O)(CN)C1;ISHBCWOSTQVQHH-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333664;MM333664;CC=C(CC)OC(=O)OC;POWBZJZSLHECBK-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333665;MM333665;C=CC1C=CC(O)(CO)C1;NYHAOKSFFXXFIL-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333666;MM333666;CC=C(CN)OC(=O)OC;VDTXLYVQJFVEOK-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333667;MM333667;O=CC1C=CC(O)(CO)C1;GKDAYCZWCTVECF-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333668;MM333668;CC=C(CO)OC(=O)OC;PPQIJPHOBRQWGQ-UHFFFAOYSA-N;146.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333669;MM333669;N#CC1C=CC(O)(CO)C1;VVCMKFBGCFOEQJ-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333670;MM333670;CC=C(CF)OC(=O)OC;NBBQKBXADRWLGF-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333671;MM333671;N#CC1C=CC(O)(CF)C1;AQXNPKIZINDFAU-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333672;MM333672;C=C(CC)OC(CC)=NO;NSYFBOVXSIEGLT-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333673;MM333673;C=CC1C=CC(F)(CC)C1;KCAFYEUPNFVPFD-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333674;MM333674;C=C(CN)OC(CC)=NO;UFIALSRXDJOJHZ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333675;MM333675;CCC1(F)C=CC(C#N)C1;LNMFUWZPAFCBQR-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333676;MM333676;C#CC(=C)C(=C)CCO;JEILEGXBTBHSIU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333677;MM333677;C=CC1C=CC(F)(CN)C1;XQDMFMLWXSMPFF-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333678;MM333678;C=C(CO)OC(CO)=NN;UVWCPIPRQBBRIN-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333679;MM333679;O=CC1C=CC(F)(CO)C1;QFIRJIJZRZGBTK-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333680;MM333680;C=C(CO)C(C)C=CC;QLLQUZZWGSPVBL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333681;MM333681;C=CC1C=CC(C)(NC)C1;BBFSFODFRFTABJ-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333682;MM333682;CC=CC(C)=C(C)CO;XDBFUGHLBSHQAX-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333683;MM333683;CNC1(C)C=CC(C=O)C1;AOHSWIVOALEYNI-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333684;MM333684;CC(C=CF)=C(C)CO;VPPCPJKMYPUBBN-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333685;MM333685;CNC1(C)C=CC(C#N)C1;QFIRSMYMZMSNEJ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333686;MM333686;CCC(=O)OC(CC)=NO;VKJOASBKVOWSIR-UHFFFAOYSA-N;145.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333687;MM333687;C=CC1C=CC(C)(OC)C1;VMLVFGZGRIRBMR-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333688;MM333688;CCC(=NO)OC(=O)CO;LMNLEEFSDJJOIU-UHFFFAOYSA-N;147.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333689;MM333689;COC1(C)C=CC(C=O)C1;DKOSWOLFQLQUCT-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333690;MM333690;NN=C(CO)OC(=O)CO;XIEQZYOYRUICQP-UHFFFAOYSA-N;148.12;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333691;MM333691;COC1(C)C=CC(C#N)C1;QJZLHAACOOBCOK-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333692;MM333692;C#CCC(=CC)CCO;AJLRGSGKJJGNAF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333693;MM333693;C=CC1C=CC(C)(CC)N1;DPSARXXJVQFRFW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333694;MM333694;CCC(=NN)OC(=O)NN;FRSNSYXVQYHFKX-UHFFFAOYSA-N;146.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333695;MM333695;CCC1(C)C=CC(C=O)N1;MRWDEIIBKIAHSR-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333696;MM333696;CCC(=NO)OC(=O)NN;GDZKZKMIPFYSCG-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333697;MM333697;C=CC1C=CC(C)(CN)N1;MSNWRALPFCWYKU-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333698;MM333698;NN=C(CO)OC(=O)NN;WPNWZHKFTWVVAJ-UHFFFAOYSA-N;148.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333699;MM333699;C=CC1C=CC(C)(CO)N1;XXWQXBJSNSKZKP-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333700;MM333700;CC(=CF)C(O)C(=O)O;IHGGIDLZHOLRIC-UHFFFAOYSA-N;134.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333701;MM333701;CC=CCC=C(C)C(N)=O;CCYQFPOYPMEXCT-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333702;MM333702;CC(O)(C=CC=O)C(=O)O;BHWBNPHVMOOCIW-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333703;MM333703;CC1(CF)C=CC(C#N)N1;BOVXCDWGMUEPST-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333704;MM333704;N=c1nnc(N)nc(=O)[nH]1;NFHWTOVCBMCMIX-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333705;MM333705;C=CC1C=CC(C)(CC)O1;OIOWDSJKERSMSE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333706;MM333706;C#CC(ON=C)C(C)F;LCKFLJCTCHCDLZ-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333707;MM333707;CCC1(C)C=CC(C=O)O1;NFSPFGHLLRSWTK-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333708;MM333708;CCC(C)CC1CC1O;XMOUREOCRQXKDB-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333709;MM333709;CCC1(C)C=CC(C#N)O1;ZQRQUSIVZJGJRE-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333710;MM333710;CC(CF)CC1CC1O;CQZVNKMYQWXGBA-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333711;MM333711;CNc1ncn(N)c1F;VFLPFFSCDKRLNC-UHFFFAOYSA-N;130.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333712;MM333712;C=CC1C=CC(C)(CN)O1;PKVJIQFDNAFBKY-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333713;MM333713;CC#CC1CC1CCO;GMZCRALUMNBLCE-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333714;MM333714;CC1(CO)C=CC(C#N)O1;LDFUNSDVPLZCPN-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333715;MM333715;CCC(=O)OC(=NO)NO;FHLSMEPWUDLUDU-UHFFFAOYSA-N;148.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333716;MM333716;C=CC1C=CC(C)(CF)O1;SDUVXPCCVPHUBN-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333717;MM333717;CCCC=CC1CC1O;ADOZPLJNOLFWEL-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333718;MM333718;CC1(CF)C=CC(C=O)O1;MNTJVXPEMLWBIU-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333719;MM333719;C=CCC=CC1CC1O;VHIGBCGNRDXLFG-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333720;MM333720;CC1(CF)C=CC(C#N)O1;PRZGZIFKOWFOHG-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333721;MM333721;C=CC(=C)CC(=CC)CC;WMYGEHVAURWSPQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333722;MM333722;C=CC1C=CC(C)(OC)O1;RZKAOYYMMLQAGX-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333723;MM333723;C=C(C=O)CC(=CC)CC;FBUCLIZHXRRRGK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333724;MM333724;COC1(C)C=CC(C#N)O1;PGFIEKXCVHXODF-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333725;MM333725;C=C(C#N)CC(=CC)CC;YAHISTGGALLGFK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333726;MM333726;CCC1(C)C=CN(C=N)C1;PPDINYAABPIAPB-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333727;MM333727;C=C(C=O)CC(=CF)CC;KWOCGKKAYNGEAA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333728;MM333728;CCC1(C)C=CN(C=O)C1;LZXDQNXJEMWSPH-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333729;MM333729;C=CC(=C)CC(=CC)CN;GWVNQRZGDJRLHC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333730;MM333730;CC1(CN)C=CN(C=N)C1;REPIXEXSFHVBJF-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333731;MM333731;C=CC(=C)CC(=CF)CN;DMHVZDWUJSSODW-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333732;MM333732;CC1(CN)C=CN(C=O)C1;SSLPOVMNJWFAOS-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333733;MM333733;O=CCC=CC1CC1O;NWRSTPAUVDFDLM-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333734;MM333734;CC1(CO)C=CN(C=N)C1;XQYXQESQMFNMLE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333735;MM333735;N#CCC=CC1CC1O;VYRRSNFMWQJOCL-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333736;MM333736;CC1(CO)C=CN(C=O)C1;DYDBMSCUNNEGSB-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333737;MM333737;C=C(C#N)CC(=CC)CO;SADWTTBZMGHUNR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333738;MM333738;CC1(CF)C=CN(C=N)C1;KGDWKDQNTUVEAT-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333739;MM333739;C=CC(=C)CC(=CC)CF;XVNBWVNGNOXSKT-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333740;MM333740;CCC1(N)C=CN(C=N)C1;XFIBJHZGHOHMAK-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333741;MM333741;C=C(C=O)CC(=CC)CF;NEKATUUWMJJHEW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333742;MM333742;CCC1(N)C=CN(C=O)C1;IBAIBZZYLMEGFK-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333743;MM333743;C=C(C#N)CC(=CC)CF;DTFKYBXYKODTFA-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333744;MM333744;N=CN1C=CC(N)(CN)C1;TVXZNXAEKREKPK-UHFFFAOYSA-N;140.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333745;MM333745;C=CC(=C)CC(=CF)CF;IHCBRCXCDZARFW-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333746;MM333746;NCC1(N)C=CN(C=O)C1;LIKMMTMRPVNULH-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333747;MM333747;C=C(C=O)CC(=CF)CF;ZCHBWVUKTCFKDO-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333748;MM333748;N=CN1C=CC(N)(CO)C1;XXEOTZMOEGKITN-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333749;MM333749;C=CC(=O)CC(=CC)CC;ZJVFKPDQMPGRFJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333750;MM333750;NC1(CO)C=CN(C=O)C1;DFMIHLKGWPKGQX-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333751;MM333751;CC=C(CC)CC(=O)C=O;MZZOJRPNOLIIPV-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333752;MM333752;CCC1(O)C=CN(C=N)C1;CEZOKLWKALCSHX-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333753;MM333753;CC=C(CC)CC(=O)C#N;KNBJIBDPGLDTHD-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333754;MM333754;CCC1(O)C=CN(C=O)C1;JSQZMOOKSJEGTH-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333755;MM333755;C=CC(=O)CC(=CF)CC;CQCNGWLKOOQWAH-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333756;MM333756;N=CN1C=CC(O)(CN)C1;PVAJTEUZIRNBGM-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333757;MM333757;CCC(=CF)CC(=O)C=O;URKUBDDRLPNJGN-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333758;MM333758;NCC1(O)C=CN(C=O)C1;IJVUFXHSGVGYFQ-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333759;MM333759;C=CC(=O)CC(=CC)CO;KUQUSMPAEUZPGV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333760;MM333760;O=CN1C=CC(O)(CO)C1;IHPZTGIMXRMWJO-UHFFFAOYSA-N;143.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333761;MM333761;C=CC(=O)CC(=CC)CF;BFLNKVQUFFSEBF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333762;MM333762;O=CN1C=CC(O)(CF)C1;ZRZNTSAPMPJRSR-UHFFFAOYSA-N;145.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333763;MM333763;CC=C(CF)CC(=O)C=O;DRCQFKMMWIMICQ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333764;MM333764;CCC1(F)C=CN(C=N)C1;CRQAMNWCBITKCC-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333765;MM333765;CC=C(CF)CC(=O)C#N;OSVDKRYACMGQKD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333766;MM333766;CCC1(F)C=CN(C=O)C1;VTJAFVCBMPXFGT-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333767;MM333767;O=CC(=O)CC(=CF)CF;INEAGWFWVOCWPO-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333768;MM333768;N=CN1C=CC(F)(CN)C1;GLGIUVFKPMJSCU-UHFFFAOYSA-N;143.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333769;MM333769;C=CC(=C)CC(CC)=NN;YGRQAEVOVVACML-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333770;MM333770;NCC1(F)C=CN(C=O)C1;NCSOPMLNJPSBHF-UHFFFAOYSA-N;144.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333771;MM333771;C=CC(=C)CC(CC)=NO;UHWTYYPKNISMQN-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333772;MM333772;O=CN1C=CC(F)(CO)C1;PCCWFULLANGVDI-UHFFFAOYSA-N;145.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333773;MM333773;C=C(C=O)CC(CC)=NO;GDRUPANDXSOEAV-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333774;MM333774;CNC1(C)C=CN(C=N)C1;PVCKVOWAVBXSAH-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333775;MM333775;C=C(C#N)CC(CC)=NO;FIBGIQRISZISEJ-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333776;MM333776;CNC1(C)C=CN(C=O)C1;AFWVNRSLDJBLAA-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333777;MM333777;C#CCC=CC1CC1O;PZYXAKVHPUFNTG-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333778;MM333778;COC1(C)C=CN(C=N)C1;ODXUPRWJIHWLLQ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333779;MM333779;C=CC(=C)CC(CF)=NN;SALRFBWYAXOLCM-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333780;MM333780;COC1(C)C=CN(C=O)C1;LAZYFPFPVIWPRE-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333781;MM333781;COCC(O)C(O)C(=O)O;JNNQKCGFFAZGPU-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333782;MM333782;CCC1(C)C=NN(C=N)C1;FIZZDVMLGGOOTI-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333783;MM333783;C=CC(=O)CC(CC)=NO;OATUUAZJVOFNCG-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333784;MM333784;CCC1(C)C=NN(C=O)C1;HXIJQNZQNCGCQD-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333785;MM333785;CC(O)(CO)C(O)C(=O)O;UAIZUGKXCFPNDO-UHFFFAOYSA-N;150.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333786;MM333786;CC1(CN)C=NN(C=N)C1;DYWZYVKYNZFOKB-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333787;MM333787;C=CC(=C)CC(=NC)NC;OIXLVLQCCJBADU-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333788;MM333788;CC1(CN)C=NN(C=O)C1;XTUJPKBMVILYRX-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333789;MM333789;C=CC(=C)CC(=NC)NO;ABAYTFAMSUOOHZ-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333790;MM333790;C=NNC(C)C(F)C(C)=O;XKPWXENWVQGIMY-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333791;MM333791;C=CC(=C)CC(=NO)NO;UALYLAIXMPLHQX-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333792;MM333792;C=NNC(C#CC)CC=O;MCGILUAQRHRYEP-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333793;MM333793;CN=C(CC(=O)C#N)NC;DOEUINTZFWLMGY-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333794;MM333794;CC1(CF)C=NN(C=N)C1;DBMJKEAGTYINQY-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333795;MM333795;C=CC(=C)CC(=CC)OC;INDHPTYJWZOBSW-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333796;MM333796;NCC1(N)C=NN(C=O)C1;YJWIZFCCUHXCRB-UHFFFAOYSA-N;142.16;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333797;MM333797;C=C(C#N)CC(=CC)OC;YBQYZQHXRWDCDT-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333798;MM333798;C=NN=C(COC)NN=C;HRSVBVGSGUOMKG-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333799;MM333799;C=CC(=C)CC(=CF)OC;GWPVPNFWSVKIDC-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333800;MM333800;C#CCC(C)=CC1CC1O;XUNPIDBFJWRMLX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333801;MM333801;C=C(C#N)CC(=CF)OC;VUMYIUVECFPGGV-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333802;MM333802;CCC1(O)C=NN(C=O)C1;OYZDCOSLCMPTAL-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333803;MM333803;C=CC(=O)CC(=CC)OC;PUNVSNOHNLNITM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333804;MM333804;NCC1(O)C=NN(C=O)C1;PYFFGVBGUWESBW-UHFFFAOYSA-N;143.15;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333805;MM333805;CC=C(CC(=O)C=O)OC;WKNAJQGZISUHQC-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333806;MM333806;C=CC(=CC=C(C)C)CO;SOYCKLOXTFWRLQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333807;MM333807;CC=C(CC(=O)C#N)OC;UGASOKLUASWYBW-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333808;MM333808;O=CN1CC(O)(CO)C=N1;CJBAAVNWQOLDMO-UHFFFAOYSA-N;144.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333809;MM333809;C=CC(=O)CC(=CF)OC;DCNAQIWXCTUHLS-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333810;MM333810;O=CN1CC(O)(CF)C=N1;AJZAGTGAHHUVCC-UHFFFAOYSA-N;146.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333811;MM333811;COC(=CF)CC(=O)C=O;JUZMFOHKPZUUJC-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333812;MM333812;CCC1(F)C=NN(C=N)C1;JFAZVJDCSXTKKS-UHFFFAOYSA-N;143.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333813;MM333813;COC(=CF)CC(=O)C#N;NCKMITXBPYSWNF-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333814;MM333814;CCC1(F)C=NN(C=O)C1;YHBGMOAFMPENHU-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333815;MM333815;CC=CCC(=CC)CO;JABABYLAEVYQMW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333816;MM333816;O=CN1CC(F)(CO)C=N1;IYEFVPMQIWDWHE-UHFFFAOYSA-N;146.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333817;MM333817;C=CC(=C)CC(=NO)OC;IBDULJOTIGCCBF-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333818;MM333818;COC1(C)C=NN(C=N)C1;GIHTXPPHMLQAGE-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333819;MM333819;C=CC(=N)NC(=CC)CC;DPYKKSZNRIXNSU-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333820;MM333820;COC1(C)C=NN(C=O)C1;ZJPMKNZCAMPBMT-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333821;MM333821;CC=C(CC)N=C(N)C=O;MDNYIFOGSBYAIJ-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333822;MM333822;C=CN1C=NC(C)(CC)C1;QFYQGFQCJKSNBZ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333823;MM333823;CC=C(CC)NC(=N)C#N;GMOMASYZRFZLCM-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333824;MM333824;C=CN1C=NC(C)(CN)C1;LAQWPDNKZKXNIF-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333825;MM333825;CC=C(CO)CC=CF;HXXOFOLMUDMTFB-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333826;MM333826;CC1(CN)CN(C=O)C=N1;HNWYRUFMIORHIR-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333827;MM333827;CC=CC=C(CC)CO;GIFRBUCKMIAISA-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333828;MM333828;C=NN1C=NC(C)(CC)C1;OOWDHQXTXRNAHA-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333829;MM333829;CCC(=CC=CF)CO;KSMPTLQEXVADIC-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333830;MM333830;CCC1(C)C=CN(C=N)N1;WAYUCWYMGKHVBB-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333831;MM333831;CC=C(CF)NC(=N)C#N;RGSSYHXFVVEHGL-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333832;MM333832;CCC1(C)C=CN(C=O)N1;XDTBGXYVVCLJLD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333833;MM333833;C=CC(=O)NC(=CC)CC;QIXXZXAHYVWESR-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333834;MM333834;CC1(CN)C=CN(C=N)N1;MGTMNESGHCCSNM-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333835;MM333835;CC=C(CC)NC(=O)C#N;LNBFHIDVEWWGHX-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333836;MM333836;CC1(CN)C=CN(C=O)N1;FQNHGAHLZURRRY-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333837;MM333837;CCC(=CF)NC(=O)C#N;PMXHNNURVKGQIX-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333838;MM333838;C=CC(=CC=C(C)F)CO;AKQHNGZKWUIFCP-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333839;MM333839;C=CC(=O)NC(=CC)CN;GAGCSJDXWCTNEW-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333840;MM333840;CC1(CF)C=CN(C=N)N1;LFGBLYCUHVUMEO-UHFFFAOYSA-N;143.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333841;MM333841;C=CC(=O)NC(=CF)CO;FFTFLQTZJNQTPC-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333842;MM333842;CC1(CF)C=CN(C=O)N1;GUZUCIPORBYKJD-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333843;MM333843;O=CC(=O)NC(=CF)CO;DFUUHXVJEZGGGW-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333844;MM333844;CCC1(C)C=CN(C=O)O1;BCKHUDPDHNZCEL-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333845;MM333845;O=CC(=O)NC(=CF)CF;XRQMHUZODFTCNV-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333846;MM333846;CC1(CN)C=CN(C=N)O1;UQZKUUBYAYYPJI-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333847;MM333847;C=CC(=C)NC(CC)=NC;CQNHRWRTVXUNOZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333848;MM333848;CC1(CN)C=CN(C=O)O1;NKXWVEHXBULIHL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333849;MM333849;C=C(C=O)NC(CC)=NC;NDMARYISMWVOOV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333850;MM333850;C#CC1C=CC(C)(CC)C1;UVEBXNDIUYPYQW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333851;MM333851;C=C(C#N)NC(CC)=NC;VNKQTNIUBUEFIV-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333852;MM333852;C#CC1C=CC(C)(CN)C1;KVTPISOHFPATBL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333853;MM333853;C=CC(=C)NC(CC)=NN;ZWQZAGAEZFKVKE-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333854;MM333854;C=CC(=CC=C(F)F)CO;JMAQFBAQHFETCZ-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333855;MM333855;C#CC1NC1C(=O)C#N;YCIGYYIOBVVPFB-UHFFFAOYSA-N;120.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333856;MM333856;C#CC1C=CC(N)(CC)C1;RINLQDRODGGYHR-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333857;MM333857;C=C(C#N)NC(CC)=NO;XLOKCQRBDUCJJD-UHFFFAOYSA-N;139.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333858;MM333858;C#CC1C=CC(N)(CN)C1;WMHQHJXSUHUJGO-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333859;MM333859;C=CC(=C)N=C(CO)NC;PUQBYSWAVPRALX-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333860;MM333860;C#CC1C=CC(N)(CO)C1;ZPXPVAOACRHHMQ-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333861;MM333861;C=C(C=O)NC(CO)=NO;MQNUKNHKIIEXNN-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333862;MM333862;CC=NN=C(C)CCC=O;IAQKPVGPGZAPQN-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333864;MM333864;C#CC1C=CC(O)(CN)C1;YGXNUZKKUBZVMT-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333863;MM333863;C=C(CC(C)(C)C)C(N)=O;BHFZJOPICZWSGU-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333865;MM333865;C#CC1C=CC(O)(CO)C1;URHPSHPARCMRKJ-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333866;MM333866;C=CC(=N)NC(CC)=NC;WLIHXHBHURXNKB-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333867;MM333867;C#CC1C=CC(O)(CF)C1;KPQAKPWXRYLLAB-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333868;MM333868;CC(=CC(C)(C)C)C(N)=O;QJUCCGSXGKTYBT-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333869;MM333869;C#CC1C=CC(F)(CC)C1;OOQQSWDYSCPDHO-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333870;MM333870;C=C(CC)CC(C)C(N)=O;OMLZGBKDKLAJBN-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333871;MM333871;C#CC1C=CC(F)(CO)C1;LXBFDEJOWFCWBH-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333872;MM333872;C=CC(=O)NC(CO)=NC;ZMOPJRLGAMAFEM-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333873;MM333873;C#CC1C=CC(C)(NC)C1;RFHQOEDNHCTNSK-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333874;MM333874;COC(CO)C(O)C(=O)O;QNXSVKWWVDWTDF-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333875;MM333875;C#CC1C=CC(C)(OC)C1;ZINQCUCPPMFFGD-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333876;MM333876;C=CC(=O)NC(CO)=NN;LCNNPGRPQSIZFJ-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333877;MM333877;C#CC1C=CC(C)(CC)N1;FXINBHCVLKJPHJ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333878;MM333878;C=CC(=O)NC(CO)=NO;ZGSNXYRHVARCGH-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333879;MM333879;C#CC1C=CC(C)(CN)N1;XTFLSCKDJQWVDI-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333880;MM333880;C=C(C=O)NC(=NC)NC;LOFVNUGTSYKYIO-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333881;MM333881;C#CC1C=CC(C)(CO)N1;CRJZTJKCHPCHOZ-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333882;MM333882;C=C(C#N)NC(=NC)NC;JGPGKVUMMCMZKI-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333883;MM333883;C#CC1C=CC(C)(CC)O1;HABIZIUHOBQUMO-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333884;MM333884;C=CC(=C)NC(=NN)NC;SLOVNQAQEPEQBN-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333885;MM333885;C#CC1C=CC(C)(CN)O1;MAZDKRXBYXDWCZ-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333886;MM333886;C=CC(=C)NC(=NC)NN;SLOVNQAQEPEQBN-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333887;MM333887;C#CC1C=CC(C)(CO)O1;KZRLNBMZBVUZSU-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333888;MM333888;C=CC(=C)NC(=NC)NO;KSWYFIIWOKFQKN-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333889;MM333889;C#CC1C=CC(C)(CF)O1;AGQLHGBDROPDGH-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333890;MM333890;C=C(C=O)NC(=NO)NO;BEONYXCHGJMXBB-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333891;MM333891;C#CC1C=CC(C)(OC)O1;OQVRCKRRHYZKOI-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333892;MM333892;CN=C(N=C(N)C=O)NC;BOGZWJJJUASJOI-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333893;MM333893;C=CC1(C)C=CC(CC)C1;LECIXHQLDWSNTE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333894;MM333894;C=CC(=N)NC(=NN)NN;XPRNINHRXQVWRT-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333895;MM333895;C=CC1(C)C=CC(CN)C1;YOEMLJQSCZRZAK-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333896;MM333896;C=CC(=N)NC(=NO)NN;BBRYXAULYPSNSK-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333897;MM333897;CCC1C=CC(C)(C=O)C1;AXYJTDDVZZZQKG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333898;MM333898;C=CC(=N)NC(=NC)NO;BRKKELDXKHSBPC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333899;MM333899;CCC1C=CC(C)(C#N)C1;QZQMXIJWIQKELZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333900;MM333900;CN=C(N=C(N)C=O)NO;ZYDTVDCKNQVCMJ-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333901;MM333901;C=CC(=N)NC(=NN)NO;BBRYXAULYPSNSK-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333902;MM333902;C=C(C=COC)C(=C)CO;XUYKMNPCKKBPSI-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333903;MM333903;C=CC(=N)NC(=NO)NO;XTWIDXKUVPGCQY-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333904;MM333904;CCON=C(C)C(C)C=O;CUKTVIYMGWNYKH-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333905;MM333905;CCC(C)C=C(C)C(N)=O;MLFHQRHRBVSWEH-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333906;MM333906;CC1(C=O)C=CC(CF)C1;VIBBTFADWKANTC-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333907;MM333907;CNC(=NO)NC(=O)C=O;CYKHSWGHHAWYSR-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333908;MM333908;C=CC1(N)C=CC(CC)C1;AUCDXESRBXOPDN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333909;MM333909;C=CC(O)C=C(C)C(=C)C;URJJHRDGLJUMCK-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333910;MM333910;C=CC1(N)C=CC(CN)C1;IVVLXHXIKASISP-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333911;MM333911;C=C(C)C=CC(O)C=CC;MOTCHJQKTBMTCG-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333912;MM333912;C=CC1(N)C=CC(CO)C1;KYVFINLCWZVBRD-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333913;MM333913;C=CC(=O)NC(=NO)NO;KZLBGBUMEIFYBN-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333914;MM333914;C=CC1(N)C=CC(CF)C1;LWAWCVGDXMXBBP-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333915;MM333915;O=CC(=O)NC(=NO)NO;MVSNHPJOHQKABF-UHFFFAOYSA-N;147.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333916;MM333916;C=CC(CCO)C(=C)C#N;GNOQOMMZZHRSHU-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333917;MM333917;CC=C(NC(=N)C#N)OC;QGLQCUQLBMKHQK-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333918;MM333918;C=CC1(O)C=CC(CN)C1;PZHBLKGPYRXTAO-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333919;MM333919;C=CC(=O)NC(=CC)OC;QBSVXRUWFQBLNM-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333920;MM333920;C=CC1(O)C=CC(CO)C1;VSLXMTNWXYDZGL-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333921;MM333921;C=C(C#N)NC(=NC)OC;RRTXTOARIPCNOT-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333922;MM333922;CCC1C=CC(O)(C=O)C1;IASFLDFQWCECHL-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333923;MM333923;C=C(CCC(C)C)C(N)=O;YJPLMXCUDJQFSH-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333924;MM333924;CCC1C=CC(O)(C#N)C1;UOKYFEPRGGFQMC-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333925;MM333925;C=C(C=O)NC(=NO)OC;QZGRKPHJMTVXMU-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333926;MM333926;O=CC1(O)C=CC(CO)C1;ZERRYWOLRFPFQR-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333927;MM333927;C=CC(=O)NC(=NN)OC;PJMYLLXOCNKSHZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333928;MM333928;N#CC1(O)C=CC(CO)C1;PGBAHPJJCBIPHL-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333929;MM333929;C=CC(=O)NC(=NO)OC;GQEYBGJGMKBISZ-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333930;MM333930;O=CC1(O)C=CC(CF)C1;PDRSAXZPCUSGQR-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333931;MM333931;C=CC(=C)OC(=CC)CC;RIRHGKDNUZWQRW-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333932;MM333932;N#CC1(O)C=CC(CF)C1;AAKOPNFOICKVIR-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333933;MM333933;C=C(C=O)OC(=CC)CC;QMJXZXZMNFXZRR-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333934;MM333934;C=CC1(F)C=CC(CC)C1;YLKMIONZLMBXRO-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333935;MM333935;C=C(C#N)OC(=CC)CC;IVVUTEJECUVXKZ-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333936;MM333936;C=CC1(F)C=CC(CN)C1;FYGGWNUYPMUQKY-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333937;MM333937;C=CC(=C)OC(=CF)CC;UDYUAFQSXZIELM-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333938;MM333938;CCC1C=CC(F)(C=O)C1;QJNAEHMWHODZFD-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333939;MM333939;C=CC(=C)OC(=CC)CN;GEVVGTJDZPALNO-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333940;MM333940;CCC1C=CC(F)(C#N)C1;LDCNBEAADURDLW-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333941;MM333941;C=C(C=O)OC(=CC)CO;XXGQGGFMRYFBLX-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333942;MM333942;O=CC1(F)C=CC(CO)C1;VOTVLGBKGXLYER-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333943;MM333943;C=C(C#N)OC(=CC)CO;MZOCSGJMRSLESW-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333944;MM333944;O=CC1(F)C=CC(CF)C1;UFURAVOGYLXCFQ-UHFFFAOYSA-N;146.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333945;MM333945;N#CC1(F)C=CC(CF)C1;GQOLLCWLLVTKGZ-UHFFFAOYSA-N;143.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333946;MM333946;C=CC(=C)OC(=CF)CO;SUDAHDHWHKPPDF-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333947;MM333947;C=CC1(C)C=CC(NC)C1;CSSFSZLKPQWPKK-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333948;MM333948;C=C(C#N)OC(=CF)CO;NTYZKNXILSMCCK-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333949;MM333949;CNC1C=CC(C)(C=O)C1;HQZFOIAMEPFNSF-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333950;MM333950;C=CC(=O)OC(=CC)CC;QDFCLNIGNPKYIF-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333951;MM333951;CNC1C=CC(C)(C#N)C1;PMIFSIVZJMVINS-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333952;MM333952;CC=C(CC)OC(=O)C=O;OJWCGXQSIDGFNF-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333953;MM333953;C=CC1(N)C=CC(NC)C1;YSNCEMPXLHJBIL-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333954;MM333954;CC=C(CC)OC(=O)C#N;ASXPGSCVRAOLAN-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333955;MM333955;C=CC1(O)C=CC(NC)C1;QHQRORHQDVHEPF-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333956;MM333956;C=CC(=O)OC(=CF)CC;DWKOLKMXQUCTCH-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333957;MM333957;CNC1C=CC(O)(C=O)C1;JCTQIRHSSNBDNA-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333958;MM333958;CCC(=CF)OC(=O)C=O;AHHIYGHWXBCFGO-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333959;MM333959;C=CC1(F)C=CC(NC)C1;OUOXZPIHQKKAFK-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333960;MM333960;CCC(=CF)OC(=O)C#N;RSZOLWOTXMOHDR-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333961;MM333961;CNC1C=CC(F)(C=O)C1;VOJCUTGSBQRGFI-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333962;MM333962;C=CC(=O)OC(=CC)CN;IOYJFJLGRQTDLO-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333963;MM333963;C=CC1(C)C=CC(OC)C1;XARCUFVWOWIVGG-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333964;MM333964;C=CC(=O)OC(=CC)CO;CMSHHNUDDXJZSU-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333965;MM333965;COC1C=CC(C)(C=O)C1;FDJBQFXPHLGZNT-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333966;MM333966;O=CC(=O)OC(=CF)CO;KYODTEQRCMGKEA-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333967;MM333967;COC1C=CC(C)(C#N)C1;FCOVCFWVSMBNHO-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333968;MM333968;CC(C)=CCC(C)C(N)=O;YDJYCFXYHKUFOF-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333969;MM333969;C=CC1(N)C=CC(OC)C1;ARLFMAQUIHFFQB-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333970;MM333970;C=CC(=C)OC(CC)=NO;MMTFGFWYFZGIKI-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333971;MM333971;C=CC1(O)C=CC(OC)C1;ZWEYHVBUENFOHT-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333972;MM333972;C=C(C=O)OC(CC)=NO;MCLGGUQBLBWTNG-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333973;MM333973;COC1C=CC(O)(C=O)C1;WCYLMQZQYJQXMV-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333974;MM333974;C=C(C#N)OC(CC)=NO;VHQAGHIPYYOXNT-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333975;MM333975;COC1C=CC(O)(C#N)C1;ZCZQBVVTCBQDNX-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333976;MM333976;N=c1nc(N)nnc(=O)[nH]1;BQRDPNXIUJLXBC-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333977;MM333977;C=CC1(F)C=CC(OC)C1;CCKSSSCVEJIMKY-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333978;MM333978;C=CC(=O)OC(CO)=NN;MAJNLRMFBHSCIN-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333979;MM333979;C=CC1(C)C=CC(CC)N1;PRKIRYGADISEEU-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333980;MM333980;COC(C(=O)O)C(O)CO;MNTRANUHWDEWDF-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333981;MM333981;C=CC1(C)C=CC(CN)N1;DSNOCADVRYIGGY-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333982;MM333982;O=CNN=c1[nH]oc(=O)o1;ZWNQPONWKZKFAU-UHFFFAOYSA-N;145.07;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333983;MM333983;C=CC1(C)C=CC(CO)N1;HEVJPYFDBZLGEJ-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333984;MM333984;O=CC(CC(=O)O)=NO;BOBOLZOFFWTGFM-UHFFFAOYSA-N;131.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333985;MM333985;C=CC1(C)C=CC(CF)N1;SOMFDORVDUAPQV-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333986;MM333986;CNC(=NO)OC(=O)C#N;NOQKNYKUKRLJGL-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333987;MM333987;CCC1C=CC(C)(C=O)N1;QWCRTEFRHQYXRX-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333988;MM333988;CC(=CCC(C)C)C(N)=O;OMJIIKFXJPEYCZ-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333989;MM333989;CC1(C#N)C=CC(CF)N1;BSLPCCTURJGUTD-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333990;MM333990;CC(=CF)CC=CC(C)O;QNJJVJKDFAYROO-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333991;MM333991;C=CC1(C)C=CC(CC)O1;PCNGVMWXQCKUGM-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333992;MM333992;CC(CC=CC(C)O)=NN;CWOBOWVBDPCWBJ-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333993;MM333993;C=CC1(C)C=CC(CN)O1;QNHKYTDXXPZBDX-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333994;MM333994;O=CC(=O)OC(=NO)NO;YDYWDTHJZROROB-UHFFFAOYSA-N;148.07;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333995;MM333995;C=CC1(C)C=CC(CF)O1;YUZSDXLVVBMQJQ-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333996;MM333996;C=C(C)CC(CC)C(N)=O;NCXGSIUZIDYQQR-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333997;MM333997;CCC1C=CC(C)(C=O)O1;FTYVRLWUUDNIPN-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333998;MM333998;C=CC(=O)OC(=NO)OC;DZYAOHSFJXRYPP-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM333999;MM333999;CCC1C=CC(C)(C#N)O1;BHKAZCSMSDHRLP-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334000;MM334000;C#CC(=C)CC(=CC)CC;GRZBIFLMDRPGRD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334001;MM334001;CC1(C=O)C=CC(CF)O1;GIHPEOIMMALQMS-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334002;MM334002;C#CC(=C)CC(=CC)CN;XDNPYNVCTLSOLU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334003;MM334003;CC1(C#N)C=CC(CF)O1;WGEVJLJNYIKOKL-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334004;MM334004;C#CC(=C)CC(=CF)CN;FEDCTLWUNUYHGP-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334005;MM334005;C=CC1(C)C=CC(OC)O1;KSDCLEKHGINCPB-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334006;MM334006;C=C(CC#CCF)CCO;LJSMGBCFVAWYPT-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334007;MM334007;COC1C=CC(C)(C=O)O1;XUZFLHCJFBKIDG-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334008;MM334008;C#CC(=C)CC(=CC)CF;UISNPNYQDXMFEK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334009;MM334009;COC1C=CC(C)(C#N)O1;HSLDFTYUHNQFFQ-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334010;MM334010;C#CC(=C)CC(=CF)CF;ZQWAPFUZEOBDII-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334011;MM334011;C=CC1(C)C=NN(CC)C1;GDICDCFVMPYUDK-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334012;MM334012;C#CC(=O)CC(=CC)CC;UERNKKOQAQSYTI-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334013;MM334013;CCN1CC(C)(C=O)C=N1;UWVBVCNNAKJUOA-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334014;MM334014;C#CC(=O)CC(=CF)CC;LLTCAXIEBYFZED-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334015;MM334015;CCN1CC(C)(C#N)C=N1;ZYLBUGGOMVKNBG-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334016;MM334016;C#CC(=O)CC(=CC)CF;KWTSHQDLUSGOAJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334017;MM334017;C=CC(C=CF)CCCO;IQYHPNJKMZPIIC-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334018;MM334018;C#CC(=O)CC(=CF)CF;CCSAVUBYBBTCCM-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334019;MM334019;CCN1CC(O)(C=O)C=N1;SRLSHWQYICXIAO-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334020;MM334020;C#CC(=C)CC(CC)=NN;OEOGNLHXGGWHHU-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334021;MM334021;CCN1CC(O)(C#N)C=N1;PAKJQPRVHWEMOJ-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334022;MM334022;C#CC(=C)CC(CC)=NO;VDIGJQXEHUOFPC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334023;MM334023;C=CC1(F)C=NN(CC)C1;PLYSQQDALDENJT-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334024;MM334024;CCON=C(NC)C(=O)O;JYQOTTMCPSSMHO-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334025;MM334025;CCN1CC(F)(C=O)C=N1;VNHXVRMFDCIQEO-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334026;MM334026;C#CC(=C)CC(=NC)NC;ZOJYZQCSYPCCBT-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334027;MM334027;C=CC1(C)CN(CC)C=N1;NAEKBKFZBVUXFB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334028;MM334028;CC=CC(O)CC#CCC;SOHJJYPHOQFJLL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334029;MM334029;CNN1C=NC(C)(C#N)C1;FXUFYQYNJBFOAI-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334030;MM334030;C#CC(=O)CC(=NO)NO;MYOWQDLFZOKPIU-UHFFFAOYSA-N;142.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334031;MM334031;C=CC1(C)CN(OC)C=N1;RQNKKKHZJLIRFE-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334032;MM334032;C#CC(=C)CC(=CC)OC;GGNONXPYOHXCBD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334033;MM334033;CON1C=NC(C)(C=O)C1;KXHMAFUYDIQQSU-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334034;MM334034;C#CC(=O)CC(=CC)OC;ZRAVNAIKGWRUBS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334035;MM334035;CON1C=NC(C)(C#N)C1;HSYUUTFXJFBEAD-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334036;MM334036;C=CC(CC)C(C)C(N)=O;BNBBTPLSWNSXCA-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334037;MM334037;C=CC1C=CC(C)(C=C)C1;GXBGWGGBGRUCQA-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334038;MM334038;C#CC(=C)CC(=NO)OC;QXHSWEYHSKLKDK-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334039;MM334039;C=CC1(C)C=CC(C=O)C1;AOKOPHYBINUQOQ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334040;MM334040;C#CC(=N)NC(=CC)CC;XTTANGWKTPJSGO-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334041;MM334041;C=CC1(C)C=CC(C#N)C1;XPNGBPDEPBXEND-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334042;MM334042;C#CC(=N)NC(=CC)CF;RKFRSHHZWCDNHB-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334043;MM334043;C=CC1C=CC(C)(C=O)C1;ISEXRDVXRBYQHC-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334044;MM334044;C#CC(=O)NC(=CC)CC;LAHUXCZHALEZTB-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334045;MM334045;C=CC1C=CC(C)(C#N)C1;LGQWPQAOYUYTAP-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334046;MM334046;C#CC(=O)NC(=CF)CC;SJXDCCZYFIWIDK-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334047;MM334047;CC1(C=O)C=CC(C=O)C1;TYYOENVLVXKNGK-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334048;MM334048;CC1(C=O)C=CC(C#N)C1;ATLUCYPUDYWYDN-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334049;MM334049;C#CC(=O)NC(=CF)CN;NHUPOFYORRXNRL-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334050;MM334050;CC1(C#N)C=CC(C=O)C1;HFUWIKWPNXSFOU-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334051;MM334051;C#CC(=O)NC(=CC)CF;FMPMRVXDFKUFJC-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334052;MM334052;CC1(C#N)C=CC(C#N)C1;VAEVLWLTLGGRBC-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334053;MM334053;C#CC(=C)NC(CC)=NC;JKONSWDGTKAEIZ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334054;MM334054;C=CC1C=CC(N)(C=C)C1;VRVHDHUYXGAKQV-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334055;MM334055;C#CC(=C)NC(CN)=NC;DUDGNXRGAYHNCR-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334056;MM334056;CC=CC(C=O)CCCO;ZWEIHRQIPKEGSV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334057;MM334057;C#CC(=N)NC(CC)=NC;QSVYTNLAAQWMGY-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334058;MM334058;C=CC1(O)C=CC(C=O)C1;FINHFJOSQDQXPA-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334059;MM334059;C#CC(=N)NC(CO)=NO;KSLRQNJLPNGQPF-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334060;MM334060;C=CCC(C)C(C)C(N)=O;ZDBMJJOACUQLKK-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334061;MM334061;C=CC1(O)C=CC(C#N)C1;FCMDNONUAJNFDF-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334062;MM334062;C#CC(=O)NC(CO)=NC;KKBLWKGBEMMSNT-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334063;MM334063;C=CC1C=CC(O)(C=O)C1;OFZOQRPYARCNEL-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334064;MM334064;C#CC(=O)NC(CO)=NN;XZOKONZXJWCTLC-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334065;MM334065;C=CC1C=CC(O)(C#N)C1;AWHAMVXCJYYIHT-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334066;MM334066;C#CC(=O)NC(CF)=NN;UIOXUIGZZUCGJA-UHFFFAOYSA-N;143.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334067;MM334067;N#CC1C=CC(O)(C=O)C1;RCEUEBGOJAHBTF-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334068;MM334068;C#CC(=N)NC(=NN)NC;ALVKVZJBFYPFOW-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334069;MM334069;N#CC1(O)C=CC(C=O)C1;UKLUJUWLLIOCFW-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334070;MM334070;C#CC(=O)NC(=CC)OC;ZQEWTBBFQMSZIQ-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334071;MM334071;N#CC1C=CC(O)(C#N)C1;CGFKMLLKFGKLTC-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334072;MM334072;C#CC(=N)NC(=NC)OC;IAKQYPBHCSXQOC-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334073;MM334073;C=CC1C=CC(F)(C=C)C1;JRAUPCQLYPBFSS-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334074;MM334074;C#CC(=C)OC(=CC)CC;KCRLJEKFPNTIOS-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334075;MM334075;C=CC1(F)C=CC(C=O)C1;LONXXLITVNCYQS-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334076;MM334076;C#CC(=C)OC(=CF)CC;OOESHYKRJYNBAO-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334077;MM334077;C=CC1(F)C=CC(C#N)C1;APDRWIHCZKRNJA-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334078;MM334078;C#CC(=C)OC(=CC)CO;PFOLALIZJYBYPI-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334079;MM334079;C=CC1C=CC(F)(C=O)C1;MQBWMOIAWAIPND-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334080;MM334080;C#CC(=O)OC(=CC)CC;QONCLIWMDWAXSM-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334081;MM334081;C=CC1C=CC(F)(C#N)C1;PVHUQMJAVXUAGB-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334082;MM334082;C#CC(=O)OC(=CF)CC;VVHSHQSAOQNVRZ-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334083;MM334083;C=CC1C=CC(C)(C=C)N1;UJGLAVZRTGOMDI-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334084;MM334084;NC(=O)C(F)(C=O)C=NO;KCVOZSWFTQOZRD-UHFFFAOYSA-N;148.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334085;MM334085;C=CC(=CC)CC(=C)CC;YMGMCSVHDXFIME-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334086;MM334086;C=CC1(C)C=CC(C#N)N1;VXUVUFXDTSGHFN-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334087;MM334087;C=CC(=CC)CC(=C)CN;CHTQZYUYSCVVOZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334088;MM334088;C=CC1C=CC(C)(C#N)N1;MVSCZJCVTYUHPU-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334089;MM334089;C=CC(=CC)CC(=C)CO;CNVJDHBLWPMTMK-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334090;MM334090;CC1(C=O)C=CC(C#N)N1;FEBZBHLFOBCASB-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334091;MM334091;C=CC(=CC)CC(=C)CF;ZGXDVLJKFKRGTC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334092;MM334092;C=CC(C=NN)CCCO;GOHIGIGQVNIMGH-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334093;MM334093;C=CC(=CF)CC(=C)CC;OMPPAFIDWXMGGX-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334094;MM334094;CC1(C#N)C=CC(C#N)N1;PDTMUQZGRCDSSU-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334095;MM334095;C=CC(=CF)CC(=C)CN;GRVIHTQRZVZFOD-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334096;MM334096;C=CC1C=CC(C)(C=C)O1;DRCRDWYSRIWFER-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334097;MM334097;C=CC(=CF)CC(=C)CF;OHYVNPNTLRFACT-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334098;MM334098;C=CC1(C)C=CC(C=O)O1;PCAGNZOMQIVDPT-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334099;MM334099;C=C(CC)CC(C=O)=CC;FAVYTCZGPSPNQP-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334100;MM334100;C=CC1(C)C=CC(C#N)O1;PVRCXULMUPRTDO-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334101;MM334101;C=C(CC)CC(C#N)=CC;KEJUOFFGIMGZQQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334102;MM334102;C=CC1C=CC(C)(C=O)O1;BGUZIWWRGDXZAF-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334103;MM334103;C=C(CO)CC(C=O)=CC;CBXZQWJMKHVWRM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334104;MM334104;C=CC1C=CC(C)(C#N)O1;CMWTVFMTLOXJBD-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334105;MM334105;C=C(CO)CC(C#N)=CC;JUMIZIMXDPTHSF-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334106;MM334106;CC1(C#N)C=CC(C=O)O1;KTUYGZAVXOJGCC-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334107;MM334107;C=C(CF)CC(C#N)=CC;IUPGCMICVIQIAT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334108;MM334108;CC1(C#N)C=CC(C#N)O1;UUJIVHBFQCUHHU-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334109;MM334109;C=C(CC)CC(C#N)=CN;JXLZOVFBRSQKEZ-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334110;MM334110;C=CC1(C)C=CN(C=N)C1;CMIZMJOUMLVWIN-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334111;MM334111;C=C(CC)CC(C=O)=CF;XAZHAUGDVULDBQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334112;MM334112;C=CC1(C)C=CN(C=O)C1;NUHGTEXBWKWNLD-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334113;MM334113;C=C(CC)CC(C#N)=CF;IGAZMDHVRKWEBL-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334114;MM334114;C=C(CO)CC(C#N)=CF;MSEQIVSGWWADRX-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334115;MM334115;CC1(C=O)C=CN(C=N)C1;JASJDFCMVGFMRW-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334116;MM334116;C=C(CF)CC(C=O)=CF;BUCGZNKPIWDESU-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334117;MM334117;CC1(C#N)C=CN(C=N)C1;VYFQXDNOMDHYCA-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334118;MM334118;C=CC(=CC)CC(=O)CC;IYXCRYMKFCSUGG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334119;MM334119;CC1(C=O)C=CN(C=O)C1;OVNOKGIISWKZTG-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334120;MM334120;C=CC(=CC)CC(=O)CF;WOGWBTVKDFGCTB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334121;MM334121;CC1(C#N)C=CN(C=O)C1;AKJDTFWGCFVURR-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334122;MM334122;C=CC(=CF)CC(=O)CC;BXQDQEZXXYOXTA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334123;MM334123;C=CC1(N)C=CN(C=N)C1;SEGDBOHBWSWHAA-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334124;MM334124;CC=C(C=O)CC(=O)CC;INJCHZJBEPWRKS-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334125;MM334125;C=CC1(N)C=CN(C=O)C1;GFCPTKHNUJFHGV-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334126;MM334126;CC=C(C#N)CC(=O)CC;LBQAYGGUXXKLMK-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334127;MM334127;C=CC1(O)C=CN(C=N)C1;HCKDMAALMPKHRF-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334128;MM334128;CC=C(C=O)CC(=O)CF;NGRPQWUWRREDJJ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334129;MM334129;C=CC1(O)C=CN(C=O)C1;CJZWOJRIRRPYDW-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334130;MM334130;CC=C(C#N)CC(=O)CF;HHTIYLSAYVLQDD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334131;MM334131;N=CN1C=CC(O)(C=O)C1;GEMPGIXLUOYZGI-UHFFFAOYSA-N;140.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334132;MM334132;CC=CC(C)C(C)C(N)=O;UPQRNZUYMQQXES-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334133;MM334133;N#CC1(O)C=CN(C=N)C1;AIQDLTXNMKEQAL-UHFFFAOYSA-N;137.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334134;MM334134;NC=C(C=O)CC(=O)CO;LJWUROSSKBXWFN-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334135;MM334135;O=CN1C=CC(O)(C=O)C1;CNOSVPCJNXRRNX-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334136;MM334136;C=NN=C(NN=C)OCC;SZUAUTIFPBPKIS-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334137;MM334137;N#CC1(O)C=CN(C=O)C1;OBHMJQNANSKAFV-UHFFFAOYSA-N;138.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334138;MM334138;NC=C(C=O)CC(=O)CF;QHOZXLDCAWGDMM-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334139;MM334139;C=CC1(F)C=CN(C=N)C1;JZLYLGBNRHRMAI-UHFFFAOYSA-N;140.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334140;MM334140;CCC(=O)CC(C=O)=CF;MJGYEIZQQCYDOB-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334141;MM334141;C=CC1(F)C=CN(C=O)C1;OAWPQBCZNFUBEV-UHFFFAOYSA-N;141.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334142;MM334142;CCC(=O)CC(C#N)=CF;QYRCUBUNBVFMSX-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334143;MM334143;N=CN1C=CC(F)(C=O)C1;GKKGWFLPCOVEFZ-UHFFFAOYSA-N;142.13;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334144;MM334144;O=CC(=CF)CC(=O)CO;ACOQXHJCRYVNMX-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334145;MM334145;N#CC1(F)C=CN(C=N)C1;ILIPLTZKXFENFB-UHFFFAOYSA-N;139.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334146;MM334146;N#CC(=CF)CC(=O)CO;PGOOYNXVNGRRFO-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334147;MM334147;O=CN1C=CC(F)(C=O)C1;SQDQAWWHPGQWFF-UHFFFAOYSA-N;143.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334148;MM334148;N#CC(=CF)CC(=O)CF;VGYUAZCXYRRTIN-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334149;MM334149;N#CC1(F)C=CN(C=O)C1;CSSJLAZCELGQIX-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334150;MM334150;C=CC(=CC)CC(=N)NC;BHUGSGWFUFEVTG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334151;MM334151;C=CC1(C)C=NN(C=N)C1;KMRGTEQKFYCWJJ-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334152;MM334152;C=CC(=CC)CC(=N)NN;CBNCOWCIRDJYGP-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334153;MM334153;C=CC1(C)C=NN(C=O)C1;BVVCCOKXHAMGRD-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334154;MM334154;C=CC(=CC)CC(=N)NO;LBXGRAGOJZAMDW-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334155;MM334155;CC1(C=O)C=NN(C=N)C1;CHAQSRBKJQJLAZ-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334156;MM334156;CC=C(C#N)CC(=N)NC;ITIXPPWJIBJTKF-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334157;MM334157;CC1(C#N)C=NN(C=N)C1;WGISDOPBSOHGKU-UHFFFAOYSA-N;136.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334158;MM334158;CC=C(C#N)CC(=N)NO;TYTFHJWIIRSUNC-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334159;MM334159;CC1(C=O)C=NN(C=O)C1;KHZSQXLIILTYHV-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334160;MM334160;CN=C(N)CC(C=O)=CN;CVAXWZCRECUFRQ-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334161;MM334161;CC1(C#N)C=NN(C=O)C1;WQZFQGXSFWXZEX-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334162;MM334162;CNC(=N)CC(C#N)=CN;GBZPAJAVHSOQST-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334163;MM334163;C=CC1(N)C=NN(C=N)C1;ABXZMAFOGRNIHC-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334164;MM334164;N=C(CC(C=O)=CN)NO;OHNJJKVAOMNADF-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334165;MM334165;CC=NN(C=N)CCC=O;IJTYZZXFVXKWQB-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334166;MM334166;N#CC(=CN)CC(=N)NO;SXCYTJXVLJUGGC-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334167;MM334167;C=CC1(O)C=NN(C=O)C1;ICEKAWMJQMCYGM-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334168;MM334168;C#CC=C(CC=C)CCO;RFAKVJKOLBPSEF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334169;MM334169;C=CC(CCCO)C(=C)C;VOGDBILROSRZGR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334170;MM334170;C=CCC(CCC)C(N)=O;UBBHAMGKWSMZJD-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334171;MM334171;CN(C)C(C#CC#N)C=O;BPOQTUPFVYQYIC-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334172;MM334172;C=CC(=CC)CC(=O)NO;XFOGVPLQPAJFRJ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334173;MM334173;O=CN1CC(O)(C=O)C=N1;PCUGZDYCFZXNOA-UHFFFAOYSA-N;142.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334174;MM334174;C=CC(=CF)CC(=O)NC;SXNYMAWXBREAFK-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334175;MM334175;N#CC1(O)C=NN(C=O)C1;MQAQJVWKZUDXMY-UHFFFAOYSA-N;139.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334176;MM334176;CC(=O)N(CC=O)CCF;OYQQOXSOWQMFQN-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334177;MM334177;C=CC1(F)C=NN(C=N)C1;BMGMLMDIDDLXFL-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334178;MM334178;CNC(=O)CC(C=O)=CN;PDJLXRXMLZDCQA-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334179;MM334179;C=CC1(F)C=NN(C=O)C1;DCHNPHWCQOCCNZ-UHFFFAOYSA-N;142.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334180;MM334180;CC(=O)N(CC=O)C(C)C;PSTGHUOAGAOEQZ-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334181;MM334181;N=CN1CC(F)(C=O)C=N1;ZMOULFNDJJSZFR-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334182;MM334182;NC=C(C=O)CC(=O)NO;YQNOYVMRQPUZOM-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334183;MM334183;N#CC1(F)C=NN(C=N)C1;DUVTZQSUHGQCJV-UHFFFAOYSA-N;140.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334184;MM334184;CNC(=O)CC(C=O)=CF;GHMVZWGLKRENGJ-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334185;MM334185;O=CN1CC(F)(C=O)C=N1;JBVZQVUESGXDIS-UHFFFAOYSA-N;144.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334186;MM334186;C=CC(=CC)CC(=C)OC;KDTZOCFNEBTRNS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334187;MM334187;C=CC1(C)CN(C=O)C=N1;UUVZDNGKFPNPJZ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334188;MM334188;C=C(CC(C=O)=CC)OC;RIHDQFLDAXCXON-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334189;MM334189;C=CN1C=NC(C)(C#N)C1;HJQNPCBNNAYBFR-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334190;MM334190;C=C(CC(C#N)=CC)OC;DZHFZUPXJRIFML-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334191;MM334191;C=C(CC(C=O)=CF)OC;BLNBEPVCFDIZHW-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334192;MM334192;CC1(C=O)CN(C=O)C=N1;POFQBAODSRDIBV-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334193;MM334193;C=CC(=CC)CC(=O)OC;WZVXQWZPCRIRAA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334194;MM334194;CC1(C#N)CN(C=O)C=N1;YYVDVNIOKUOYQD-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334195;MM334195;C=CC(=CF)CC(=O)OC;FRSWJFMIOJQRNQ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334196;MM334196;C=CC1(C)CN(N=C)C=N1;PNYHBJNEOYDZAX-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334197;MM334197;CC=C(C=O)CC(=O)OC;IBPLCHJESVHBLT-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334198;MM334198;C=NN1C=NC(C)(C=O)C1;ALMDIXJZOXWAKZ-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334199;MM334199;CC=C(C#N)CC(=O)OC;AQPQTNXGPOLLEJ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334200;MM334200;C=NN1C=NC(C)(C#N)C1;FSACPYBHCAMABN-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334201;MM334201;COC(=O)CC(C#N)=CF;QVTVXYWMKCYFIS-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334202;MM334202;C=CC1(C)C=CN(C=N)N1;OEXQKSOBXMHPGE-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334203;MM334203;C=CC(CC(=C)CC)=NN;FHDXQQRPGBRUDL-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334204;MM334204;C=CC1(C)C=CN(C=O)N1;OJZIMYKOZIIHCW-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334205;MM334205;C#CCC(C)CC1CC1O;PDVRZKAURBRORN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334206;MM334206;CC1(C=O)C=CN(C=N)N1;ABMNLSMBHYLFHN-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334207;MM334207;C=CC(CC(=C)CF)=NN;RDJYMHXPHSKGJN-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334208;MM334208;CC1(C#N)C=CN(C=N)N1;XRNFCYREKHRXAD-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334209;MM334209;CC#CC(C)CC1CC1O;APWMYCKFRMDLJL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334210;MM334210;CC1(C=O)C=CN(C=O)N1;RGYKYTYDWQYDJV-UHFFFAOYSA-N;140.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334211;MM334211;C=CC(CC(=C)CO)=NO;PWOXSTXDJDOVQP-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334212;MM334212;CC1(C#N)C=CN(C=O)N1;PTZSLLRDWMVCBA-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334213;MM334213;C=CC(CC(=C)CF)=NO;GPELAKRJDWJGBU-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334214;MM334214;C=CC1(C)C=CN(C=O)O1;TZFBITNXJONDMG-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334215;MM334215;CC#CC(CC(=O)O)=NO;LNAYMYBHCKIXJT-UHFFFAOYSA-N;141.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334216;MM334216;C#CC(C=NO)=CC(=O)O;OMFACUDWZYBRLI-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334217;MM334217;CC1(C=O)C=CN(C=O)O1;LSLDBDVJAXIOLX-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334218;MM334218;C=NN(CC(=O)O)C(N)=O;ZIXSCEGRCDWHST-UHFFFAOYSA-N;145.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334219;MM334219;CC1(C#N)C=CN(C=O)O1;UXRYYEHRZZHRTO-UHFFFAOYSA-N;138.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334220;MM334220;C=CC(CC(=N)NN)=NN;RFVCIVFWZQUKHB-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334221;MM334221;C#CC1C=CC(C)(C=C)C1;KQADLZUQIWHGPC-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334222;MM334222;C=CC(CC(=N)NO)=NN;JRHXODRPNHSKSI-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334223;MM334223;C#CC1C=CC(C)(C=O)C1;FPUCSKYWJGRIHT-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334224;MM334224;C=CC(CC(=N)NC)=NO;FSBZYMYIBQLHLW-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334225;MM334225;C#CC1C=CC(C)(C#N)C1;OQUFMSJDZUGWEW-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334226;MM334226;C=CC(CC(=N)NN)=NO;RIHABFSBBDNFCH-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334227;MM334227;C#CC1C=CC(N)(C=C)C1;VNHLRGMGTGOSRO-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334228;MM334228;C=CC(=CC(O)C=C)CC;ORLLUDDHLIVBRZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334229;MM334229;C#CC(C=CCCC)CO;CTYJCGLIEIQEMY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334230;MM334230;C=CC(CC(=O)NN)=NO;VZASIUQLDPVBKQ-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334231;MM334231;C#CC1C=CC(O)(C=O)C1;PJRJUVQBKJQURN-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334232;MM334232;C=CC(CC(=C)OC)=NN;DVVXHWGGYAKAEX-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334233;MM334233;C#CC1C=CC(O)(C#N)C1;BWXUVHYECYZVRG-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334234;MM334234;N=Cn1nc(O)n(N)c1=O;WHZPDYKWHYGXDU-UHFFFAOYSA-N;143.11;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334235;MM334235;C#CC1C=CC(F)(C=C)C1;PXUOJEDAUFBXGB-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334236;MM334236;CC=C(CO)CC=C(C)C;CTDXMYDCZLROAA-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334237;MM334237;C#CC1C=CC(F)(C=O)C1;OZOZDJFTGREOAG-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334238;MM334238;C=CC(CC(=O)OC)=NO;DHMTUUCZAQYLHD-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334239;MM334239;C#CC1C=CC(F)(C#N)C1;QOTVSSIJFFLQCD-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334240;MM334240;CC(=N)N=c1[nH]oc(=O)o1;HBIUQVDASIFLEF-UHFFFAOYSA-N;143.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334241;MM334241;C#CC1C=CC(C)(C=C)N1;AELRQBMKJJHOJS-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334242;MM334242;C=CC(=CC)NC(=N)CC;FOJSUGORPFUWDU-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334243;MM334243;C#CC1C=CC(C)(C#N)N1;MFXGVGFLBDQICO-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334244;MM334244;C=CC(=CF)NC(=N)CC;JKMHABBGZQVTLB-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334245;MM334245;C#CC1C=CC(C)(C=C)O1;GODZLPBUTJUBBU-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334246;MM334246;CC=C(C#N)NC(=N)CC;ULJFUAJDGHRBBR-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334247;MM334247;C#CC1C=CC(C)(C=O)O1;XXTJAVXRNLOYEA-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334248;MM334248;CCC(=N)NC(C#N)=CN;QGVQBZMKDDSUBU-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334249;MM334249;C#CC1C=CC(C)(C#N)O1;NCTMYAHPCUPCDL-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334250;MM334250;CC=C(CO)CC=C(C)F;IJGCHXRPGYQBKD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334251;MM334251;C#CC1(C)C=CC(CC)C1;BAIJDNMAKJSJKT-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334252;MM334252;C=CC(=CC)NC(=O)CC;FJILHKXXTCDGKX-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334253;MM334253;C#CC1(C)C=CC(CN)C1;MEQZIYUCJQLJGU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334254;MM334254;C=CC(=CC)NC(=O)CO;XPTXLRBTLIXLEN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334255;MM334255;C#CCC=CC(C#C)CO;KFOHDJUEYFPVGX-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334256;MM334256;C=CC(=CC)NC(=O)CF;RWZKZSQNLBMHJY-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334257;MM334257;C#CC1(C)C=CC(CF)C1;VWCIQXVPRXAXFC-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334258;MM334258;C=CC(=CF)NC(=O)CC;VNUHRVVBESCHFV-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334259;MM334259;C#CC1(N)C=CC(CC)C1;YDHCKKNEFLFGKW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334260;MM334260;C=CC(=CF)NC(=O)CO;UOALQTAXKFZMBM-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334261;MM334261;C#CC1(N)C=CC(CN)C1;RLDRLGPUCFMZCX-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334262;MM334262;CC=C(C#N)NC(=O)CC;NEOWKGLFCWUZQI-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334263;MM334263;C#CC1(N)C=CC(CO)C1;LUQAIWLTSXGFTN-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334264;MM334264;CCC(=O)NC(C=O)=CN;MRKVCVRPQGQOOH-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334265;MM334265;C#CC1(N)C=CC(CF)C1;UTHUAQPVCVPGSI-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334266;MM334266;NC=C(C=O)NC(=O)CO;JDXRLIJAJLURGJ-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334267;MM334267;C#CC1(O)C=CC(CC)C1;ISYGBXGBNSIQFH-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334268;MM334268;N#CC(=CN)NC(=O)CO;IGEPYDLHIJNXNO-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334269;MM334269;C#CC1(O)C=CC(CN)C1;MNGVUGVPOAVRFG-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334270;MM334270;N#CC(=CN)NC(=O)CF;GNAVVGJAVBLNHR-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334271;MM334271;C#CC1(O)C=CC(CF)C1;MLFLNBPIXJAPQP-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334272;MM334272;CCC(=O)NC(C=O)=CF;YADNYNUWIIWULH-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334273;MM334273;C#CC1(F)C=CC(CC)C1;MTDUMAJGKGSUNP-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334274;MM334274;N#CC(=CF)NC(=O)CO;ZKTPGUZVZFDABS-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334275;MM334275;C#CC1(F)C=CC(CN)C1;NCKKMGTUVGBJGE-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334276;MM334276;N#CC(=CF)NC(=O)CF;GTRKZCQLQHQCSN-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334277;MM334277;C#CC1(F)C=CC(CO)C1;TXFPWALQYMRSSB-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334278;MM334278;C=CC(=CC)NC(=N)NC;KRIOHJDOJKJDGG-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334279;MM334279;C#CC1(F)C=CC(CF)C1;NESJUVNTNIVYOI-UHFFFAOYSA-N;142.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334280;MM334280;C=CC(=CC)NC(=N)NN;FAXSEHUXQRDRPO-UHFFFAOYSA-N;140.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334281;MM334281;C#CC1(C)C=CC(NC)C1;RKRTWRZQNLCXTN-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334282;MM334282;C=CC(=CF)NC(=N)NC;AMBGFBMXVCHNHV-UHFFFAOYSA-N;143.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334283;MM334283;C#CC1(N)C=CC(NC)C1;BUZADYYQRBIQCZ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334284;MM334284;C=CC(=CF)NC(=N)NN;DGHYXLRGHAYTRO-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334285;MM334285;C#CC1(O)C=CC(NC)C1;CWDDERFBFQOJJL-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334286;MM334286;C=CC(=CC)NC(=O)NC;MXBANAGHFTZIJD-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334287;MM334287;C#CC1(F)C=CC(NC)C1;AJPKJDSMZSEFLC-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334288;MM334288;CC=C(CO)CC=C(F)F;YXTFZQMAJKPBLN-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334289;MM334289;C#CC1(C)C=CC(OC)C1;XJFLONNUZRPNSD-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334290;MM334290;C=CC(=CF)NC(=O)NO;NCMNUANFCDWESF-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334291;MM334291;C#CC1(N)C=CC(OC)C1;LFEMNFVGPRGEGO-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334292;MM334292;CCC(=CC=C(C)C)CO;XBXMROCHPGUODF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334294;MM334294;C=CC(=CC)NC(=O)OC;NXUOPMYHXQMYQR-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334293;MM334293;C#CC1(O)C=CC(OC)C1;JKIFYYVKCWSSCW-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334295;MM334295;C#CC1(F)C=CC(OC)C1;ZREABZIYKJJGPV-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334296;MM334296;C=CC(=NC(=C)CC)NC;UIECUTAWSQNAFH-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334297;MM334297;C#CC1(C)C=CC(CC)N1;KHLSOWGZUOOVGK-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334298;MM334298;C=CC(=NC)NC(=C)CO;RHRKCISEDFWNDS-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334299;MM334299;C#CC1(C)C=CC(CN)N1;QUQWDHWKMHODJU-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334300;MM334300;C=CC(=NC)NC(=C)CF;AVDLXZUVLIQPBP-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334301;MM334301;C#CC1(C)C=CC(CO)N1;DBSDEJATKHDXBL-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334302;MM334302;C=CC(=NC(=C)CC)NN;FMBSOTLGQXAEBN-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334303;MM334303;C#CC1(C)C=CC(CC)O1;GATOFGRQRAGTEW-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334304;MM334304;C=CC(=NC(=C)CC)NO;DYYGSUGYLJCQNM-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334305;MM334305;C#CC1(C)C=CC(CN)O1;CKUJCVBYETXNCF-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334306;MM334306;C=CC(=NC(=C)CN)NO;LEBJUADRGKLWMH-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334307;MM334307;C#CC1(C)C=CC(CO)O1;VYRPGLLXYBLSDT-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334308;MM334308;C=C(CC)N=C(C=O)NC;VJBGRZVYALBVBJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334309;MM334309;C#CC1(C)C=CC(CF)O1;VQAHJQYBSPLVKZ-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334310;MM334310;C=C(CC)N=C(C#N)NC;XHBZDUGKGVDSLA-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334311;MM334311;C#CC1(C)C=CC(OC)O1;BWGWFWITLRYXDW-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334312;MM334312;CCC(=CC=C(C)F)CO;VZHAEHWKRNDCJS-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334313;MM334313;C=C(CF)NC(C#N)=NC;IMNXPCRXIHDZPW-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334314;MM334314;C#CC1(C)C=NN(CC)C1;GHGWTPDBQHRLAI-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334315;MM334315;CCC(=CC=C(F)F)CO;ZRZSYOKLCVQBEM-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334316;MM334316;C#CC1(O)C=NN(CC)C1;HUSQWCVMNHUHHR-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334317;MM334317;C=CC(=NC)NC(=N)CC;CYFMRJQIGXUBNU-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334318;MM334318;C#CC1(F)C=NN(CC)C1;HEYXYAKYYBSIHA-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334319;MM334319;C=CC(=NC)NC(=N)CN;QFYCFLYRQGDERT-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334320;MM334320;C#CC1(C)CN(OC)C=N1;ANDBTMZWYLOLMN-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334321;MM334321;C#CC1(C)C=CC(C=C)C1;BTVKAIFUKDLVKT-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334322;MM334322;C=CC(=NC)NC(=N)CO;BVQMPAHPJFKHCO-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334323;MM334323;C#CC1(C)C=CC(C=O)C1;LRGBBJFLIYZTKG-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334324;MM334324;C=C(CO)C(C)C=CC#N;RWJBCUZHORNLSK-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334325;MM334325;C#CC1(C)C=CC(C#N)C1;NFAXDTWSFRMEDQ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334326;MM334326;CCC=CC(C)=C(C)CO;WZQQGKHTZBIAEQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334327;MM334327;C#CC1(N)C=CC(C=C)C1;JOFHYTRSNJJBFW-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334328;MM334328;CC(C=CC=O)=C(C)CO;HAELALFARAICCX-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334329;MM334329;C#CC1(O)C=CC(C=C)C1;AMNIHFDBCKVBSG-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334330;MM334330;C#CC=CC(C)=C(C)CO;HQIUMZVTYGOMAS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334331;MM334331;C#CC1(O)C=CC(C=O)C1;YGFYODAJPCDUNN-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334332;MM334332;COC(=NC=O)NCC=O;MPZOASAHZVNRMQ-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334333;MM334333;C#CC1(O)C=CC(C#N)C1;KWTIKFVBDHTBEK-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334334;MM334334;C=CC(=NC)NC(=O)CO;ADFWJNQZIURSFP-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334335;MM334335;C#CC1(F)C=CC(C=C)C1;PVVUWBQTJHANII-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334336;MM334336;C=CC(=NN)NC(=O)CO;DSPIHVVAQSWJHH-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334337;MM334337;C#CC1(F)C=CC(C=O)C1;GMOPMKCDUUAVPT-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334338;MM334338;NN=CC(O)C(O)C(=O)O;CBGOCVYGZNDGJN-UHFFFAOYSA-N;148.12;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334339;MM334339;C#CC1(F)C=CC(C#N)C1;CUBUGYDHSDYROZ-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334340;MM334340;C=CC(=NC)NC(=N)NC;OYHQJGZIEQYBHW-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334341;MM334341;C#CC1(C)C=CC(C=C)N1;XPUGABGTVRJTMJ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334342;MM334342;C=CC(=NN)NC(=N)NN;CUSUTSGTIGMSML-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334343;MM334343;C#CC1(C)C=CC(C#N)N1;SGWATSRKQSXOAF-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334344;MM334344;C=CC(=NN)NC(=N)NO;CEVVOLWYQNZUNQ-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334345;MM334345;C#CC1(C)C=CC(C=C)O1;QTZWYJAZWONGEE-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334346;MM334346;CNC(=N)N=C(C=O)NO;ZJOPUDHQAGQSMT-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334347;MM334347;C#CC1(C)C=CC(C=O)O1;WZRLFEULHZLNCG-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334348;MM334348;C=CC(=NO)NC(=O)NN;QUIZAYKMFGCWDE-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334349;MM334349;C#CC1(C)C=CC(C#N)O1;QDPVBJVIZSOWBT-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334350;MM334350;CNC(=O)NC(C=O)=NO;GDNCDYHNYVWSJP-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334351;MM334351;C#CC1(C)C=CN(C=N)C1;VTLPMACXHXRABT-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334352;MM334352;C=CC(=NC(=C)OC)NC;MCGHUYRAKAETEC-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334353;MM334353;C#CC1(C)C=CN(C=O)C1;OBBWMZPXCUZRSQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334354;MM334354;CC=NNC(=CC#N)NC;UMGYKQANJHDNLW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334355;MM334355;C#CC1(N)C=CN(C=N)C1;CPEMJBCGBJJFGH-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334356;MM334356;C=CC(=CC)OC(=C)CC;VPOWODWOLLRIDJ-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334357;MM334357;C#CC1(O)C=CN(C=N)C1;UKSRVEWDSVSWMW-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334358;MM334358;C=CC(=CC)OC(=C)CN;KJTNXVXOTKSBEM-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334359;MM334359;C#CC1(O)C=CN(C=O)C1;CWQXUOYWUQQCLL-UHFFFAOYSA-N;137.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334360;MM334360;C=CC(=CC)OC(=C)CO;IFKNVYXUPOIXAQ-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334361;MM334361;C#CC1(F)C=CN(C=N)C1;SKIPMBPQLKMYDJ-UHFFFAOYSA-N;138.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334362;MM334362;C=CC(=CC)OC(=C)CF;FSISSUACRUBCIB-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334363;MM334363;C#CC1(F)C=CN(C=O)C1;RBQBPGBOQGVDKB-UHFFFAOYSA-N;139.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334364;MM334364;C=CC(=CF)OC(=C)CC;LNUXQCQFLSLVSB-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334365;MM334365;C=CC(=CF)OC(=C)CO;IGAPBMHAUIWXNI-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334366;MM334366;C=C(CC)OC(C=O)=CC;WJAPYSJFXRVJHQ-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334367;MM334367;C=C(CC)OC(C#N)=CC;PQQABNWVYXGBSU-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334368;MM334368;C=C(CO)OC(C#N)=CC;IVGCWGFNGWLQHQ-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334369;MM334369;C=C(CC)OC(C=O)=CN;IKSJUPBPWMQRAR-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334370;MM334370;C=C(CC)OC(C#N)=CN;HJKZKSINJDFJKV-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334371;MM334371;C=C(CO)OC(C=O)=CN;ATWPYKCHUWWKCF-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334372;MM334372;C=C(CC)OC(C#N)=CF;KSDSWONGJPEBMZ-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334373;MM334373;C=C(CO)OC(C#N)=CF;PMJXXNJMLMHQOD-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334374;MM334374;C=CC(=CC)OC(=O)CC;IHUYFRFAVNZPOR-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334375;MM334375;C=CC(=CC)OC(=O)CF;HVOUTNNEXXOEIK-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334376;MM334376;C=CC(=CF)OC(=O)CC;PHZFMJZCSVWHAR-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334377;MM334377;C=CC(=CF)OC(=O)CF;FORXCVSUOYNZJK-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334378;MM334378;CC=C(C#N)OC(=O)CC;BNOIQJYPIHHFFX-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334379;MM334379;N#CC(=CN)OC(=O)CO;BLGUIODJHKMAEI-UHFFFAOYSA-N;142.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334380;MM334380;NC=C(C=O)OC(=O)CF;WUKFSTUXWVKWDX-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334381;MM334381;N#CC(=CF)OC(=O)CF;KLJRNNLBXLXPTH-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334382;MM334382;C=CC(=CC)OC(=O)OC;DYAXHTNDDSCCPF-UHFFFAOYSA-N;142.15;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334383;MM334383;CC=C(C=O)OC(=O)OC;OZQJFBITODARRT-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334384;MM334384;CC=C(C#N)OC(=O)OC;ORJTYWYPCIJDNP-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334385;MM334385;COC(=O)OC(C#N)=CF;OZAQHQWQYSLSEE-UHFFFAOYSA-N;145.09;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334386;MM334386;CC=C(CO)CC=CCC;PAFIPQSVHJNGCH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334387;MM334387;C=CC=CCC(=CC)CO;DMNZQHMZXHIDJY-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334388;MM334388;C#CC=CCC(=CC)CO;QRZGXVZSSRMJHV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334389;MM334389;CCC=CC=C(CC)CO;JAQSBRVTZVPWCC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334390;MM334390;CCC(=CC=CCF)CO;GAQOACRTMKQETN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334391;MM334391;C=C(C)C(N)=C(C)C(=O)O;QMLAYMLLLBHWHN-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334392;MM334392;Nn1oc(=NO)c(O)c1F;PPJOWGHCZKVFIT-UHFFFAOYSA-N;149.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334393;MM334393;C=CC(=NN)OC(=O)NN;YSQAYMZNHKWMIN-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334394;MM334394;C=CC(=NO)OC(=O)NN;NAQCEOFENPOQRO-UHFFFAOYSA-N;145.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334395;MM334395;CN(C)c1nc(=O)cn[nH]1;SCWRRKAMMDBHMS-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334396;MM334396;C#CC1C=CC(=O)N1O;BMDFELAQYSFFOY-UHFFFAOYSA-N;123.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334397;MM334397;CCC(=CC=COC)CO;ZJKGVFBSCXJRNO-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334398;MM334398;C=CC(=NO)OC(=O)OC;ULOASSUSVCXTEB-UHFFFAOYSA-N;145.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334399;MM334399;C#CC(C)OC(=C)C(=O)O;PWIUSKFKKYAMRK-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334400;MM334400;C=CC(=C)CC(C=C)=CC;OTRGMFNTTYOHMA-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334401;MM334401;C=CC(=CC)CC(=C)C=O;GTECIAYAZKNNRI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334402;MM334402;C=CC(=CC)CC(=C)C#N;UHCOVPKETAKDLO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334403;MM334403;C=CC(=C)CC(C=C)=CF;SUKIKVGOIGSWOK-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334404;MM334404;C=CC(=C)CC(C=O)=CC;FPERDPUZPZVEQC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334405;MM334405;C=CC(=C)CC(C#N)=CC;ZMKCJDOGNVRZKN-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334406;MM334406;C=C(C=O)CC(C=O)=CC;XJQBMZGKKYQONB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334407;MM334407;C=C(C#N)CC(C=O)=CC;KSRWWYDKYKGQOY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334408;MM334408;C=C(C=O)CC(C#N)=CC;OHQVPDLIMSEBSH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334409;MM334409;C=C(C#N)CC(C#N)=CC;ARIJYAQMPYSVRN-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334410;MM334410;C=CC(=C)CC(C#N)=CN;IUHRJIGQQOJHCC-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334411;MM334411;C=C(C=O)CC(C=O)=CN;BEHXLTCYGNJWER-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334412;MM334412;C=C(C#N)CC(C=O)=CN;UXOFKMLEATXZLR-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334413;MM334413;C=C(C=O)CC(C#N)=CN;ZMZKJXDJZGBCQV-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334414;MM334414;C=C(C#N)CC(C#N)=CN;LBWDQQOTIAWPML-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334415;MM334415;C=CC(=C)CC(C=O)=CF;DJEOWUQUSZXQQZ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334416;MM334416;C=CC(=C)CC(C#N)=CF;LAZUBMTVRILZDV-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334417;MM334417;C=C(C=O)CC(C#N)=CF;FVHIPQVFORMFLC-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334418;MM334418;C=C(C#N)CC(C#N)=CF;JXHQKSVLMVGKPQ-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334419;MM334419;C=CC(=O)CC(C=C)=CC;MXJNTXJTDAVWOR-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334420;MM334420;C=CC(=O)CC(C=C)=CF;CDIJLLXYVGGBFW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334421;MM334421;C=CC(=CF)CC(=O)C=O;BYWPYGPOEUHWBX-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334422;MM334422;C=CC(=CF)CC(=O)C#N;RLCDXOAQWHAVJE-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334423;MM334423;C=CC(=O)CC(C=O)=CC;FGURDWLFAMXHSS-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334424;MM334424;CC=C(C#N)CC(=O)C#N;YCIZFSHOYCMCGA-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334425;MM334425;C=CC(=O)CC(C=O)=CN;HQAFWMQRBOCXNT-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334426;MM334426;C=CC=CC=C(CC)CO;DTWDMZMREGZTMT-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334427;MM334427;NC=C(C=O)CC(=O)C=O;BRASHBCYYNPYIB-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334428;MM334428;N#CC(=O)CC(C=O)=CN;AHLDMFYHWWPBJE-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334429;MM334429;C=CC(=O)CC(C=O)=CF;CKMVJSFOYAMSBU-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334430;MM334430;C=CC(=O)CC(C#N)=CF;YFLCVOGZGMNBGK-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334431;MM334431;N#CC(=CF)CC(=O)C=O;QBELRKVRQICZNV-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334432;MM334432;C=CC(=C)CC(C=C)=NN;ARUGKJYLLPSMHW-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334433;MM334433;CCC(=CC=CC=O)CO;IUKNMAMJMWCWLL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334434;MM334434;C=CC(CC(=C)C=O)=NO;YJVHPNVCFIKFNI-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334435;MM334435;C=CC(CC(=C)C#N)=NO;JYEDUPVEZAYDKZ-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334436;MM334436;CON(CC(=O)O)C(N)=O;MQQUUTUFUHTLTE-UHFFFAOYSA-N;148.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334437;MM334437;CC1(CF)OC1C(=O)O;BNGFFPQRTMREAX-UHFFFAOYSA-N;134.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334438;MM334438;C=CC(=N)NC(C=C)=CC;BVUJBJNIFLFDTH-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334439;MM334439;C=CC(=CC)N=C(N)C=O;TYNJYSVWEIBPIR-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334440;MM334440;C=CC(=CC)NC(=N)C#N;HPLADZBBYLTAOV-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334441;MM334441;CCC(=CC=CC#N)CO;XIEITPWTEHRCFX-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334442;MM334442;C#CC=CC=C(CC)CO;AOJGECPENJRJGM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334443;MM334443;C=CC(=O)NC(C=C)=CC;SXQQYFQJPCXRNO-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334444;MM334444;C=CC(=CC)NC(=O)C=O;KYOKAEFWSFQUGT-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334445;MM334445;C=CC(=CC)NC(=O)C#N;WRLYVGQZWGRMPC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334446;MM334446;C=CC(=O)NC(C#N)=CC;GLXXCNPUXOUCLP-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334447;MM334447;CC=C(C=O)NC(=O)C=O;HHSWUVINAAMMOC-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334448;MM334448;CC=C(C#N)NC(=O)C=O;YUMLQMDQCPPCBQ-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334449;MM334449;C=CC(=O)NC(C#N)=CN;JDELHGHJEFARFM-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334450;MM334450;NC=C(C=O)NC(=O)C=O;CIQXKTKRJDJHNW-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334451;MM334451;C=CC(=O)NC(C#N)=CF;CGYVVUJHDUPPEH-UHFFFAOYSA-N;140.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334452;MM334452;C=CC(=C)NC(C=C)=NC;MTJJAUWPLKBMMZ-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334453;MM334453;C=CC(=NC)NC(=C)C=O;IRWDBYNEOGHSAJ-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334454;MM334454;C=CC(=NC)NC(=C)C#N;FDCYDDSUTJYEBJ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334455;MM334455;C=CC(=C)NC(C=C)=NN;CYMILLQFUGHXMU-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334456;MM334456;C=CC(=C)N=C(C=C)NO;GHSRKGWJGARHLB-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334457;MM334457;C=CC(=NO)NC(=C)C#N;HQLBOJUVFWIYJA-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334458;MM334458;C=CC(=C)NC(C#N)=NC;QOZSMYGAIPEBFB-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334459;MM334459;C=CC(=C)NC(C=O)=NO;YRPQCQSFYKOTNJ-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334460;MM334460;C=C(C#N)NC(C=O)=NO;QEKJYMNDVOOJHK-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334461;MM334461;C#CC(=CC)C(=C)CCO;DBBVLZYKWLSKTK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334462;MM334462;C=CC(=N)NC(C=C)=NN;SHPMZHOIQPVXRF-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334463;MM334463;C=CC(=O)NC(C=C)=NO;BGXRUZTZAZRCJF-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334464;MM334464;CC(OCC(F)F)C(=O)O;HGFXGBPWXBQFHW-UHFFFAOYSA-N;154.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334465;MM334465;CC(C(F)F)C(O)C(=O)O;RUFQDXNHJJWSIN-UHFFFAOYSA-N;154.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334466;MM334466;CC(O)(CC=O)C(=O)O;AIVNEFAQOBHPAR-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334467;MM334467;C=CC(=C)OC(C=C)=CC;SSSBLMDIMCHFGA-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334468;MM334468;C=CC(=CC)OC(=C)C=O;PPCZPVAJHCHUSQ-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334469;MM334469;C=CC(=CC)OC(=C)C#N;PQWWXLACCPLNEA-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334470;MM334470;C=CC(=C)OC(C=C)=CF;VASTWBWMPBFPCA-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334471;MM334471;C=CC(=CF)OC(=C)C#N;XTSFGSQHPHKEOJ-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334472;MM334472;C=CC(=C)OC(C#N)=CC;IJOVDXYMFZVEJR-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334473;MM334473;C=C(C#N)OC(C=O)=CC;OLUTXXBGMXNDES-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334474;MM334474;C=C(C=O)OC(C#N)=CC;FRAUQCKLNYWMAM-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334475;MM334475;C=C(C#N)OC(C#N)=CC;ZHKGWDKTPQVRFM-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334476;MM334476;C=CC(=C)OC(C=O)=CN;ZBSIFOJJWGPKRK-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334477;MM334477;C=CC(=C)OC(C#N)=CN;HYSYFAMSTCSINL-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334478;MM334478;C=CC(=C)OC(C=O)=CF;YKTNMCGQGKEJIG-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334479;MM334479;C=CC(=C)OC(C#N)=CF;QAKBHFBXHIWGIK-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334480;MM334480;C=C(C=O)OC(C=O)=CF;DCQKTORULNKJTD-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334481;MM334481;C=C(C#N)OC(C=O)=CF;VJZZAKSNYFNRNJ-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334482;MM334482;C=C(C=O)OC(C#N)=CF;YHYSQNXQVLEOKT-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334483;MM334483;C=C(C#N)OC(C#N)=CF;KMDBYJUMXCLNSZ-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334484;MM334484;C=CC(=O)OC(C=C)=CC;HPCXQYPUIUHMCB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334485;MM334485;C=CC(=CC)OC(=O)C#N;LRRVKBDQDXBNQJ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334486;MM334486;C=CC(=CF)OC(=O)C=O;VVJRQMGKNUXBBW-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334487;MM334487;C=CC(=CF)OC(=O)C#N;JVAFUDODTQYICM-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334488;MM334488;C=CC(=O)OC(C=O)=CC;KYBJGQAADPSEOB-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334489;MM334489;C=CC(=O)OC(C#N)=CC;OUPSROIRNZGHBJ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334490;MM334490;CC=C(C#N)OC(=O)C=O;QJUSVTFBCCZBAL-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334491;MM334491;C=CC(=O)OC(C#N)=CN;PSWKARJXXVWNSF-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334492;MM334492;C=CC(=O)OC(C=O)=CF;ZEFXNCMQFAHBIF-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334493;MM334493;C=CC(=O)OC(C#N)=CF;YZGCWAUDSXXXGZ-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334494;MM334494;N#CC(=CF)OC(=O)C=O;XZMUYJYWINSFHT-UHFFFAOYSA-N;143.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334495;MM334495;CCC(CC)CC1CC1O;ZFADQTQDSLLEAU-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334496;MM334496;O=C(O)CC(CO)=C(F)F;UJYIHKRZGUIUGU-UHFFFAOYSA-N;152.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334497;MM334497;N#CC(COCCF)=NO;JUURJWBRUBIUCQ-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334498;MM334498;CCC(CO)CC1CC1O;IMMGDDXYGPHCHT-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334499;MM334499;C=CC(=O)OC(C=C)=NO;ONCLISILFQINDO-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334500;MM334500;C=CC(=NO)OC(=O)C#N;QVKQIIQVMZKVGB-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334501;MM334501;C#CC(=C)CC(C=C)=CC;UZAPROCQDJQKKP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334502;MM334502;C#CC(=C)CC(C=C)=CF;WMNAELFTYPCUAK-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334503;MM334503;C#CC(=C)CC(C=O)=CC;HERDYYIGVZUTLM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334504;MM334504;C#CC(=C)CC(C#N)=CC;QEZQGNURYSQNRB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334505;MM334505;C#CC(=C)CC(C=O)=CN;HOYCAYPCQOTDMI-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334506;MM334506;C#CC(=C)CC(C#N)=CN;NFXSIVMURWONJU-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334507;MM334507;C#CC(=C)CC(C#N)=CF;FXUKNBUXCITKJL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334508;MM334508;C#CC(=O)CC(C=C)=CC;DGXYDEITMTYZPK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334509;MM334509;C#CC(=O)CC(C=C)=CF;OBNFYGYCMHYFNN-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334510;MM334510;C#CC(=O)CC(C=O)=CC;RSAFKKHNBYNXJQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334511;MM334511;C#CC(=O)CC(C#N)=CC;BOVDITAJKKQXEX-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334512;MM334512;C#CC(=O)CC(C#N)=CF;IYYXEBSJJBYAFX-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334513;MM334513;C#CC(=C)CC(C=C)=NN;OWOPEZQIKIPSCQ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334514;MM334514;C#CC(=C)CC(C=C)=NO;NQTPFGDBMWCEOI-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334515;MM334515;C=CC1=C(C)C(=CO)N=N1;ADPCLDTYXGLTLM-UHFFFAOYSA-N;136.15;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334516;MM334516;O=CNCC(=O)O;UGJBHEZMOKVTIM-UHFFFAOYSA-N;103.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334517;MM334517;C#CC(=N)NC(C=C)=CC;OFSBRJJJSBULPI-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334518;MM334518;C#CC(=O)NC(C=C)=CC;DNXZLIABFVPHHR-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334519;MM334519;C#CC(=O)NC(C#N)=CN;QOCCAKLNLAXCNU-UHFFFAOYSA-N;135.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334520;MM334520;C#CC(=C)NC(C=C)=NC;YXHPSTDARKWAQG-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334521;MM334521;CCC(CF)CC1CC1O;PZHHQEBPZKPAII-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334522;MM334522;C#CC(=O)NC(C=C)=NN;KTZXNIISEDPQOP-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334523;MM334523;C#CC(=O)NC(C=C)=NO;RTHUGTGCVAPZCN-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334524;MM334524;C#CC(=C)OC(C=C)=CC;AYZRAMPSKICWNT-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334525;MM334525;C#CC(=C)OC(C=C)=CF;DRNMHUOZTIONLJ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334526;MM334526;C#CC(=C)OC(C=O)=CC;JPUGWWNIQFGCDZ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334527;MM334527;C#CC(=C)OC(C#N)=CC;PDMGFMSBRWJGDT-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334528;MM334528;C#CC(=C)OC(C=O)=CF;WRHRMKSMVOHDKO-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334529;MM334529;C#CC(=C)OC(C#N)=CF;RXJWVZQEUZXEOC-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334530;MM334530;C#CC(=O)OC(C=C)=CC;FGMXVSWHMOVBPS-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334531;MM334531;C#CC(=O)OC(C#N)=CF;TWIUVJDBIKNPHQ-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334532;MM334532;C#CC(C#C)CC1CC1O;XKUBKMDJKRIYNR-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334533;MM334533;C#CC(=C)OC(C=C)=NO;WDGFYZKTVULPIU-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334534;MM334534;O=C(O)CNC(=O)C=CF;APWLRCUWRQDTBZ-UHFFFAOYSA-N;147.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334535;MM334535;C#CC(=CC)CC(=C)CC;OGVGACJEIKLAOS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334536;MM334536;C#CC(=CC)CC(=C)CN;CLUGGPDDUUVGHF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334537;MM334537;C#CC(=CC)CC(=C)CO;NILYDBXMLQTIAN-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334538;MM334538;C#CC(=CC)CC(=C)CF;AUKMSBWGQADDEW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334539;MM334539;C#CC(=CF)CC(=C)CC;VIDOPWZFINGJHV-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334540;MM334540;C#CC(=CF)CC(=C)CN;LNJXGSRPHIQZNT-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334541;MM334541;C#CC(=CF)CC(=C)CF;HWZMDQDUOADNIC-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334542;MM334542;C#CC(=CC)CC(=O)CC;QGVFAHWHDVQXJX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334543;MM334543;C#CC(=CC)CC(=O)CF;UWAFNNRBBMKODD-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334544;MM334544;C#CC(=CF)CC(=O)CC;ZHNNNMTWYGILNP-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334545;MM334545;C#CC(=CC)CC(=N)NC;JENUBRVCQUTSJQ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334546;MM334546;CC=Cc1ccc(NC)[nH]1;QIGGWXIJSTXFQX-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334547;MM334547;C#CC(=CC)CC(=O)NO;QDFOBKKFRWSDCG-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334548;MM334548;C#CC(=CF)CC(=O)NC;NXHZGFZRNNRRKM-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334549;MM334549;C#CC(=CC)CC(=C)OC;ATCMSXLNWDDYKT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334550;MM334550;C#CC(=CF)CC(=C)OC;BFHHIDQDXLVREB-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334551;MM334551;C#CC(=CC)CC(=O)OC;ITKPRZAGGNXRGN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334552;MM334552;C#CC(=CF)CC(=O)OC;REIAHYTXANJLQF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334553;MM334553;C#CC(CC(=C)CF)=NN;GFEPSONMWLUUJH-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334554;MM334554;C#CC(CC(=C)CF)=NO;JGPLAIHJEMSETG-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334555;MM334555;C#CC(CC(=O)CO)=NO;HHYDGXFJXXCXRC-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334556;MM334556;C#CC(CC(=N)NC)=NN;VJJUPWFNUKYTHV-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334557;MM334557;C#CC(CC(=N)NN)=NN;NVLIAFFZHFJGDR-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334558;MM334558;C#CC(CC(=N)NO)=NN;NYVIKNWZEUQEHH-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334559;MM334559;C#CC(CC(=N)NC)=NO;WLHMIODWRHZKOH-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334560;MM334560;C=Cc1cc(NCC)no1;IDIGSWFQXDHMDJ-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334561;MM334561;C#CC(CC(=O)NO)=NN;AVWPCNBZPUODHP-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334562;MM334562;C#CC(CC(=O)NN)=NO;KUNBAUCBZYLZOF-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334563;MM334563;C#CC(CC(=C)OC)=NN;XYYAHNTXOKPCKO-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334564;MM334564;C#CC(CC(=C)OC)=NO;ALWAQKCULQOJAQ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334565;MM334565;C#CC(=CC)NC(=N)CC;QDAFGCFJIXTMPH-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334566;MM334566;C#CC(=CC)NC(=N)CO;VPNDBJNUEPMVMP-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334567;MM334567;C#CC(=CF)NC(=N)CC;ZJPPFNQKMPECAB-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334568;MM334568;C#CC(=CF)NC(=N)CN;XJEKBMDNWCACAR-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334569;MM334569;C#CC(=CF)NC(=N)CF;AUXGLVACJODHSR-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334570;MM334570;C#CC(=CC)NC(=O)CC;WHBCTQMIFKZYQI-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334571;MM334571;C#CC(=CC)NC(=O)CO;ZBFUBORXVCDDIZ-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334572;MM334572;C#CC(=CF)NC(=O)CO;WSPMOBVEJDYWST-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334573;MM334573;C#CC(=CF)NC(=O)CF;XRDSMUVUBNRUII-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334574;MM334574;C#CC(=CC)NC(=N)NC;RXECGJRKPOXLGX-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334575;MM334575;C#CC(=CF)NC(=N)NN;BDTQFFMDVKRGPH-UHFFFAOYSA-N;142.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334576;MM334576;CCC1=NNC(C=O)C1C;FOGJZQVIGFVGQB-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334577;MM334577;C#CC(=CC)NC(=O)NO;VZWMCRBAFDGHHR-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334578;MM334578;C#CC(=CF)NC(=N)OC;MWUJDMBLZAISPW-UHFFFAOYSA-N;142.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334579;MM334579;C#CC(=CC)NC(=O)OC;FOGVROLNAOPNHY-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334580;MM334580;C#CC(=NC(=C)CC)NC;FBQBCJPFWUHKRA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334581;MM334581;C#CC(=NC)NC(=C)CN;OIFUGDSGKTUECS-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334582;MM334582;C#CC(=NC)NC(=N)CC;KUZFBYVCHSQIGU-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334583;MM334583;C#CC(=NO)NC(=N)CF;CEFUYBATUBNBLA-UHFFFAOYSA-N;143.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334584;MM334584;C#CC(=NC)NC(=O)CO;VLSROAOLZAONIC-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334585;MM334585;C#CC(=NN)NC(=O)CO;HFIXVTMICWHFOD-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334586;MM334586;C#CC(=NN)NC(=O)CF;XZYBASZBJMMGGF-UHFFFAOYSA-N;143.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334587;MM334587;C#CC(=NO)NC(=O)CO;FWLFSYXDHWWJGE-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334588;MM334588;C#CC(=NC)NC(=N)NN;NUIBZSBBXIQGPW-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334589;MM334589;C#CC(=NC)NC(=N)NO;XWQNMMXBBFDXEH-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334590;MM334590;C#CC(=NC)NC(=O)NN;YASSMDDVQKRYGF-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334591;MM334591;C#CC(=NC)NC(=O)NO;VRVQZAJPZRTPPV-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334592;MM334592;C#CC(=CC)OC(=C)CC;USGXXMQYGMMOPM-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334593;MM334593;C#CC(=CC)OC(=C)CO;AGFHTDQYACCGKH-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334594;MM334594;C#CC(=CF)OC(=C)CC;ACKBNZNFLDPESC-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334595;MM334595;C#CC(=CF)OC(=C)CO;NIXXJJFVEDHTMF-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334596;MM334596;C#CC(=CC)OC(=O)CF;FOPQNIJRDXKKHK-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334597;MM334597;C#CC(=CF)OC(=O)CC;DVRQZFIXERCYPA-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334598;MM334598;C#CC(=CF)OC(=O)CO;JMNCUAJPOJDIMM-UHFFFAOYSA-N;144.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334599;MM334599;C#CC(=CF)OC(=O)CF;VMWKYMMVYSLPRQ-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334600;MM334600;C#CC1CC=C(CO)C1=C;FOBQEKOBPMTZCD-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334601;MM334601;C#CC(=NO)OC(=C)CN;YXYGUHBBAXGKEX-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334602;MM334602;C=CCCC=CC1CC1O;VOVQPPYPLWPCNV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334603;MM334603;C#CC(=CC)CC(=C)C=C;QNJFWLGUWAHMAZ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334604;MM334604;C#CC(=CC)CC(=C)C=O;JTKOCTJJDGSKLD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334605;MM334605;C#CC(=CC)CC(=C)C#N;RSDBGKTUVFDAHS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334606;MM334606;C#CC(=CF)CC(=C)C=C;KQARSJSOIWKWDV-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334607;MM334607;C#CC(=CF)CC(=C)C=O;OHMCSJVPSBDGAL-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334608;MM334608;C#CC(=CF)CC(=C)C#N;HESBRRVXXAPCMR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334609;MM334609;C#CC(=CC)CC(=O)C=C;LMANZNOVFVDWPK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334610;MM334610;C#CC(=CC)CC(=O)C#N;HDLQGWSDQYKSGP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334611;MM334611;C#CC(=CF)CC(=O)C=C;GBUKDAVAESFLFK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334612;MM334612;C#CC(=CF)CC(=O)C#N;UVGDJKINFJFTEV-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334613;MM334613;C#CC(CC(=C)C#N)=NO;FEKZYDNIDRBFIO-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334614;MM334614;C#CC(=CC)NC(=N)C=C;QLIIMCFKGXGGMS-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334615;MM334615;C#CC(=CC)N=C(N)C=O;ZEVKGEPWQFAAAU-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334616;MM334616;C#CC(=CF)NC(=N)C=C;IXPOZOGQHPBSTR-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334617;MM334617;C#CC(=CC)NC(=O)C=C;GRCNOHTZBKTCRW-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334618;MM334618;C#CC(=CC)NC(=O)C=O;UZHFYOWPWZTRPB-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334619;MM334619;C#CC(=CF)NC(=O)C=C;SDLGIRXRXOORHE-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334620;MM334620;C#CC(=NC)NC(=C)C=C;GDNOGMFGNVGXGT-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334621;MM334621;C#CC(=NO)NC(=C)C=C;LANGIXFJJLJMNH-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334622;MM334622;C#CC(=NO)NC(=C)C#N;BCGQQSGIIRAICN-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334623;MM334623;C#CC(=NC)NC(=N)C=C;ADYVBQDKJCBDLP-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334624;MM334624;C#CC(N=C(N)C=O)=NO;VQLGWTOITAWBDD-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334625;MM334625;C#CC(=NC)NC(=O)C=C;CUXACYSQICPDQZ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334626;MM334626;C#CC(=NN)NC(=O)C=C;GUXBSUSVIZNQRU-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334627;MM334627;C#CC(=NO)NC(=O)C=C;HAYKXCHWJONQSE-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334628;MM334628;C#CC(=CC)OC(=C)C=C;LEOZYJCXICPBOM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334629;MM334629;C#CC(=CC)OC(=C)C=O;GMCTXLLUUJFGSI-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334630;MM334630;C#CC(=CC)OC(=C)C#N;MVPSJFYZGDEIMG-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334631;MM334631;C#CC(=CF)OC(=C)C=C;GOHJYZMQLGOFBY-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334632;MM334632;C#CC(=CF)OC(=C)C=O;NVJGIIWWOHJQCW-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334633;MM334633;C#CC(=CF)OC(=C)C#N;LTYFJRAEEKZNGD-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334634;MM334634;C#CC(=CC)OC(=O)C=C;LBDNCDFVZFXYCL-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334635;MM334635;C#CC(=CC)OC(=O)C=O;HMBXDVBYQNLIMP-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334636;MM334636;C#CC(=CC)OC(=O)C#N;CYTGCHYXMYZMRM-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334637;MM334637;C#CC(=CF)OC(=O)C=C;CNHABBKOLIHVIK-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334638;MM334638;C#CC(=CF)OC(=O)C=O;VZRFNPFMKDSWNM-UHFFFAOYSA-N;142.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334639;MM334639;C#CC(=CF)OC(=O)C#N;FJRMZDSGTRKEPN-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334640;MM334640;C=NN1C(C)C1C(C)C=O;SBNCBOVGXHAFEY-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334641;MM334641;C#CC(=NO)OC(=C)C=C;GMPDLNANMKVRFF-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334642;MM334642;C#CC(C=O)C1C(C)N1C;FGJLENMMZZRLFE-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334643;MM334643;C#CC(=C)CC(C#C)=CC;SZJSYMZRMPSBAK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334644;MM334644;C#CC(=C)CC(C#C)=CF;DLQFYHMDUIXOIQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334645;MM334645;C#CC(=O)CC(C#C)=CC;PAAPGOWZBFBZMR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334646;MM334646;C#CC(=O)CC(C#C)=CF;IODPCFDCFLKMFO-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334647;MM334647;C#CC(=C)CC(C#C)=NN;BPXJFCLMIQMGCR-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334648;MM334648;C#CC(=C)CC(C#C)=NO;SVSCIQOZQDLXHM-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334649;MM334649;C#CC(=N)NC(C#C)=CC;YMHJNUQAWYUBPM-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334650;MM334650;C#CC(=O)NC(C#C)=CC;VLGINBUDIORFSG-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334651;MM334651;C#CC(=O)NC(C#C)=CF;AUJTZPOWMVNEKQ-UHFFFAOYSA-N;137.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334652;MM334652;C#CC(=C)OC(C#C)=CC;QJFVSJOIABFCON-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334653;MM334653;C#CC(=C)OC(C#C)=CF;LIILTMFMENENKU-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334654;MM334654;C#CC(=O)OC(C#C)=CC;XQHCVQXAANOZDB-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334655;MM334655;C#CC(=O)OC(C#C)=CF;QMIQHOBDWJHGGG-UHFFFAOYSA-N;138.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334656;MM334656;CC=C(C)CC(=CC)CC;JQHLQXAZQQUAPF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334657;MM334657;CC=C(CC)CC(C)=CF;HQOJOGZHWUBMST-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334658;MM334658;CC=C(C)CC(=CC)CN;SECLYQUJJWEHGL-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334659;MM334659;CC=C(CN)CC(C)=CF;ZXVOBLVCGFTKRN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334660;MM334660;CCC1C(O)C1C#CCF;QTGAFSLHHXKQEO-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334661;MM334661;O=CC1C=CC2(CF)NC12;ZPYDNQSSKBPHOW-UHFFFAOYSA-N;141.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334662;MM334662;CC(=CF)CC(=CF)CF;BCKASGINSPGLFH-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334663;MM334663;CCC1(NC)CN(C=N)C1;YMLCXUQGFGJZDF-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334664;MM334664;CC=C(F)CC(=CC)CC;VOURRCDLTMXWTQ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334665;MM334665;CCC1(NC)CN(C=O)C1;YGHCINKZUPSONY-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334666;MM334666;CC=C(CC)CC(F)=CF;IDIQMNPAERAJFN-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334667;MM334667;CNC1(CN)CN(C=N)C1;RLAKWHAGQOEBSS-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334668;MM334668;CC=C(F)CC(=CC)CN;UFOOHHHKSAXLOV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334669;MM334669;CNC1(CN)CN(C=O)C1;GPIQIUTYTTZZHB-UHFFFAOYSA-N;143.19;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334670;MM334670;CC=C(CN)CC(F)=CF;IZQMBGGOXWBKOY-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334671;MM334671;CC=C(F)CC(=CF)CN;PCCYFINOIDJDFX-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334672;MM334672;CNC1(CO)CN(C=N)C1;VBBAJCAZHWYIPT-UHFFFAOYSA-N;143.19;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334673;MM334673;NCC(=CF)CC(F)=CF;HAZOISDVUCTXRB-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334674;MM334674;C=NN1CC(CC)(NC)C1;LHUIZCKJDUXATN-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334675;MM334675;CC=C(F)CC(=CC)CO;QBBGUPVGSNWKPL-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334676;MM334676;C=NN1CC(CN)(NC)C1;BTPPBBVLJFXDRI-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334677;MM334677;CC=C(CO)CC(F)=CF;QXLRQUDMOFLKLO-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334678;MM334678;CCC1(OC)CN(C=N)C1;OBBRZDDHMZDYIS-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334679;MM334679;CC=C(CF)CC(F)=CF;PLYVAMQKYYHDFB-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334680;MM334680;CCC1(OC)CN(C=O)C1;DAHVZYCRHLFISQ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334681;MM334681;CC=C(CC)CC(C)=NN;BLEABFPBEFOBML-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334682;MM334682;COC1(CN)CN(C=N)C1;GWFUZOUQAXNGPX-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334683;MM334683;CC=C(CC)CC(C)=NO;RGMVOUIRIUIGGF-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334684;MM334684;COC1(CN)CN(C=O)C1;MHGOCECAEIRFLX-UHFFFAOYSA-N;144.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334685;MM334685;CCC(=CF)CC(C)=NN;USPOMZQPMFHMNO-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334686;MM334686;COC1(CO)CN(C=N)C1;XGLODGJYSRHPMS-UHFFFAOYSA-N;144.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334687;MM334687;CCC(=CF)CC(C)=NO;BCKDHOGSZGGJTN-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334688;MM334688;COC1(CO)CN(C=O)C1;LWNLNEWGMDMXRB-UHFFFAOYSA-N;145.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334689;MM334689;CC(CC(=CF)CN)=NO;VAVWZDVGBNNSEB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334690;MM334690;COC1(CF)CN(C=N)C1;DKNLOGLMCVKVQU-UHFFFAOYSA-N;146.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334691;MM334691;C#CCC1CC1O;LFUPJPLNFYTHTM-UHFFFAOYSA-N;96.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334692;MM334692;C=NN1CC(CC)(OC)C1;CAWCWXRAVWVSOS-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334693;MM334693;CC=C(CO)CC(C)=NO;RZLOBJJDUNFTQJ-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334694;MM334694;CC=C(CF)CC(C)=NN;ATHCPRHLIWCJJI-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334695;MM334695;C=NN1CC(CN)(OC)C1;SMAIIETWOGAAJY-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334696;MM334696;CC=C(CF)CC(C)=NO;FFGODPOBPPMKLE-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334697;MM334697;CCC(CC)C1CC1CO;GQYWHHURHCGSQN-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334698;MM334698;Cc1c(N)n[nH]c1N;IWUFDXGFTOWUNK-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334699;MM334699;C=NN1CC(CF)(OC)C1;UWIJIJYAFNZVJS-UHFFFAOYSA-N;146.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334700;MM334700;CC(CC(=CF)CF)=NO;WATVLFVXCHKQSY-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334701;MM334701;COC1(OC)CN(C=N)C1;VXBYSHXJONVWJR-UHFFFAOYSA-N;144.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334702;MM334702;CC=C(C)CC(CC)=NN;GWUZLTQRJNPELA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334703;MM334703;COC1(OC)CN(C=O)C1;GOFWBBRPTIMYQV-UHFFFAOYSA-N;145.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334704;MM334704;CCC(CC(C)=CF)=NN;BXDKSYSSPPOTGB-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334705;MM334705;C=NN1CC(OC)(OC)C1;RDOUWSFALAERDG-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334706;MM334706;CCC(CC(C)=CF)=NO;UIQAVEQWGJXHRT-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334707;MM334707;C#CC1CC(CC)(CC)C1;BADBGWFBRDZHCA-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334708;MM334708;CC=C(C)CC(CF)=NN;MTRCPHYNMXJDGO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334709;MM334709;C#CC1CC(CC)(CN)C1;RMSMYTZCFDGXJV-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334710;MM334710;C#CC1CC1CCO;DYFOJBGYTBOKTQ-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334711;MM334711;C#CC1CC(CC)(CF)C1;XKDSYUDGPCDIOF-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334712;MM334712;CCCC(C)(C)C(N)=O;CDMRYARHYKNFLS-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334713;MM334713;C#CC1CC(CN)(CO)C1;IXVOHMSPOWWSFC-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334714;MM334714;CC=C(F)CC(CC)=NO;JNJUBBYXJSMRLP-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334715;MM334715;C=C(C)C(C)CC(N)=O;KTXKSWZJBHJAGV-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334716;MM334716;C#CC1CC(CN)(CF)C1;DEUIBRJMMSUIPN-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334717;MM334717;C#Cc1noc(C#C)c1O;BDGBXYXVPAROFC-UHFFFAOYSA-N;133.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334718;MM334718;C#CC1CC(CO)(CO)C1;IYWWRBKIONPRGQ-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334719;MM334719;CCC(CC(C)=NO)=NN;ARSNNTAGBOUYNI-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334720;MM334720;C#CC1CC(CC)(NC)C1;ZUCCUJCHCIXOTL-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334721;MM334721;CCC(CC(C)=NN)=NO;DJCMENVQCPEQPN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334722;MM334722;C#CC1CC(CN)(NC)C1;PCJIMGSIOWMDPE-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334723;MM334723;CCC(CC(C)=NO)=NO;SDKVCEBYJYAUOB-UHFFFAOYSA-N;144.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334724;MM334724;C#CC1CC(CO)(NC)C1;BOEFZVBKYQZVEU-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334725;MM334725;CC(CC(CO)=NN)=NO;KKZLAAITNXVKTQ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334726;MM334726;C#CC1CC(CC)(OC)C1;UFKDJBQPZXRUTH-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334727;MM334727;CC=C(C)CC(=NC)NN;MAFBTDHBHQXCEV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334728;MM334728;C#CC1CC(CN)(OC)C1;GAIFKCVEYRMGML-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334729;MM334729;CC=C(C)CC(=NN)NC;MAFBTDHBHQXCEV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334730;MM334730;C#CC1CC(CO)(OC)C1;UTYDOKQURZXLEZ-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334731;MM334731;C=CCC(C)CC(N)=O;SJOVHCLPDNHKIL-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334732;MM334732;C#CC1CC(OC)(OC)C1;NQRJMOLVGHCUOP-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334733;MM334733;CC=C(F)CC(=NC)NN;WBUOTPNESBVHSZ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334734;MM334734;C#CC1CC(CC)(CC)N1;QQCDPEZGHYWCNB-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334735;MM334735;CC=CC(C)CC(N)=O;OVCSSJBQARIVSR-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334736;MM334736;C=C(CC)CCC(N)=O;HELVVMUTKYUBAR-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334737;MM334737;C#CC1CC(CC)(CN)N1;HXHPVFNOADMHDQ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334738;MM334738;CN=C(CC(C)=NN)NC;JZECVZXBDLMNJC-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334739;MM334739;C#CC1CC(CC)(CO)N1;RSTIIABBKFPNBM-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334740;MM334740;CC=C(C)CCC(N)=O;IMIWLCBFGRBQQZ-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334741;MM334741;C#CC1CC(CN)(CN)N1;JGQPNRCOGPDXIF-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334742;MM334742;C=CC(=C)C=CC(C)O;QWYNJYUVRWPAAN-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334743;MM334743;C#CC1CC(CN)(CO)N1;TYRVKKBTFYVFMC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334744;MM334744;CC(CC(=NO)NO)=NO;UDQCCIDBLRNEPW-UHFFFAOYSA-N;147.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334745;MM334745;C#CC1CC(CO)(CO)N1;YAVFCOULGVSMJO-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334746;MM334746;CC=C(C)CC(=CC)OC;HTGZMIVGTNBQDE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334747;MM334747;C#CC1CC(CC)(CC)O1;JRPKMQOYVZZVGO-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334748;MM334748;CC=C(CC(C)=CF)OC;MOAMWBVOWBKHEC-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334749;MM334749;C#CC1CC(CC)(CN)O1;IZJXHPSLOPKXDY-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334750;MM334750;CC=C(F)CC(=CC)OC;YYYJZAWJBSACLO-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334751;MM334751;C#CC1CC(CC)(CO)O1;NDJYIWQMKISDLX-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334752;MM334752;CC=C(CC(C)=NN)OC;TZLDSUNCVMRFMB-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334753;MM334753;C#CC1CC(CN)(CN)O1;JFLMSOIPYVTQRD-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334754;MM334754;CC=C(CC(C)=NO)OC;AJSPSEQSJJBREH-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334755;MM334755;C#CC1CC(CN)(CO)O1;GESKYDMNLOQSGH-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334756;MM334756;COC(=CF)CC(C)=NN;YZRKKKOQRMINCN-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334757;MM334757;C=CC1(CC)CC(CC)C1;BUOOAFSOURMIRE-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334758;MM334758;COC(=CF)CC(C)=NO;VRAKBSKOPIGIML-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334759;MM334759;C=C(C=O)C=CC(C)O;IFFRXSDVQYADMS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334760;MM334760;C=CC1(CC)CC(CN)C1;BWEXSGAPGGFPQA-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334761;MM334761;C=CC(CC)CC(N)=O;WZLTUSQLOIRJPZ-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334762;MM334762;CCC(CO)C1CC1CO;QRHNSFHZZLJTEH-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334763;MM334763;CC=C(CC)N=C(C)NC;JTCLGKJJPDQWPW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334764;MM334764;C=CC1(CC)CC(CF)C1;CNUCJXHCYFZDMG-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334765;MM334765;CC=C(CC)N=C(C)NN;MJOLMPSNWPSLAJ-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334766;MM334766;CCC1CC(C=O)(CC)C1;SVNAEHNRTYZGDL-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334767;MM334767;CC=C(CC)N=C(C)NO;HDDZWTDARZXXRT-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334768;MM334768;CCC1CC(C#N)(CC)C1;SHCAFLOFOGREOY-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334769;MM334769;CCC(=CF)N=C(C)NC;ZRRKOFPTWJISLZ-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334770;MM334770;CCCC(C)C1CC1CO;DPAIVHQMENRNKY-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334771;MM334771;CC=C(CN)N=C(C)NO;MCQPVDDQTMBYKZ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334772;MM334772;C#CCC(C)C1CC1CO;QVHPMZDSWTUDMJ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334773;MM334773;CC=C(CF)NC(C)=NC;AWSBRGZAKFLNBI-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334774;MM334774;CCC1(C=O)CC(CF)C1;LSQFJGFHZJWAQP-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334775;MM334775;CC=C(CF)N=C(C)NN;OPAZEEVRRQVCPH-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334776;MM334776;CCC1(C#N)CC(CF)C1;NXUMEIRQMCDTPD-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334777;MM334777;CN=C(C)NC(=CF)CF;MCZYCUPNVXXWRB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334778;MM334778;C=CC1(CN)CC(CC)C1;NHBBSNNGVKRFQX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334779;MM334779;CC=C(C)NC(CC)=NC;PZLIHIRDLXJNIH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334780;MM334780;C=CC1(CN)CC(CN)C1;JVPRXWBONYUYFI-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334781;MM334781;CCC(=NC)NC(C)=CF;QLVMOQPZKJMKSN-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334782;MM334782;C=CC1(CN)CC(CO)C1;ULUUDPPQKXAYBR-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334783;MM334783;CC=C(C)NC(CC)=NN;CSCNLBZMCOGPJN-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334784;MM334784;C=CC1(CO)CC(CN)C1;RVVRTQDMIMRYSQ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334785;MM334785;CCC=CCCC(N)=O;RNSYHSGXTXFEKA-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334786;MM334786;CCC(=NO)NC(C)=CF;HHJATFNHISGNTO-UHFFFAOYSA-N;146.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334787;MM334787;CC#CC(C)C1CC1CO;UPWYYOKOPIBDKO-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334788;MM334788;CC=C(C)N=C(CN)NC;JJWHIUCEZZWMHN-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334789;MM334789;C=COC=NN=CNN=C;LQALZSKYBSHCPI-UHFFFAOYSA-N;140.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334790;MM334790;CC=C(C)N=C(CO)NC;MGUJGCBTNAHCAP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C2";;;;;;;0.85;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334791;MM334791;CCC1CC(C=O)(CO)C1;BVYDXKGKAFXALA-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334792;MM334792;CON=C(C)OCC=O;DFBSBUZPSFBXOF-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334793;MM334793;CCC1CC(C#N)(CO)C1;SJYSUEQKFNGMTL-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334794;MM334794;CCC(=NC)N=C(C)NC;BINDDEWXNIACLZ-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334795;MM334795;O=CC1(CO)CC(CO)C1;ZIVAUHROMBJMLM-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334796;MM334796;CC=C(C)NC(=NC)NC;PMUMJDTZPCLEFI-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334797;MM334797;N#CC1(CO)CC(CO)C1;PIDBOHQLTRIUKM-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334798;MM334798;CC=C(C)NC(=NN)NC;JUABPEZMGJIJDT-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334799;MM334799;N#CC1(CO)CC(CF)C1;XZCKAMBTUHOPSO-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334800;MM334800;CNC(=NN)NC(C)=CF;VADKCPRIXBXDNG-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334801;MM334801;C=CC1(CF)CC(CN)C1;DWOZTDCSGNBDJA-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334802;MM334802;CC=C(C)NC(=NC)NN;JUABPEZMGJIJDT-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334803;MM334803;CCC1CC(C#N)(CF)C1;KJKUTCLUQLPTKJ-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334804;MM334804;CN=C(NN)NC(C)=CF;VADKCPRIXBXDNG-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334805;MM334805;C=NNC=NN=CON=C;AACJBVNOEKTSBU-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334806;MM334806;CC=C(C)NC(=NC)NO;WYISAOPBBBUPIB-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334807;MM334807;N#CC1(CF)CC(CF)C1;BUJKVJAGIQPMFE-UHFFFAOYSA-N;145.15;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334808;MM334808;CN=C(NO)NC(C)=CF;XIKPLJZIOQIFID-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334809;MM334809;C=CC1(CC)CC(NC)C1;VMPGBFLRRWLICF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334810;MM334810;CC(=NN)NC(=NN)NN;MNMWBMGAFNNJAQ-UHFFFAOYSA-N;145.17;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334811;MM334811;CCC1(C=O)CC(NC)C1;BVXNZTISHAODAK-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334812;MM334812;CN=C(C)NC(=NO)NN;DOJGTCVODZVZMB-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334813;MM334813;CCC1(C#N)CC(NC)C1;UCRKTQNORYXWAW-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334814;MM334814;CN=C(C)NC(=NN)NO;DOJGTCVODZVZMB-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334815;MM334815;CC=C(N=C(C)NN)OC;KFDJSNMOPKCBFG-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334816;MM334816;C=CC1(CN)CC(NC)C1;GEOVBTYBLVYVFB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334817;MM334817;CNC(C)=NC(=CF)OC;JFJXMUJTCXWLTE-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334818;MM334818;C=CC1(CO)CC(NC)C1;COTJYOOTSKAYPM-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334819;MM334819;CN=C(NC(C)=CF)OC;GLZGVDXLTTYIEO-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334820;MM334820;CNC1CC(C=O)(CO)C1;IQWVMDSRRFIXOG-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334821;MM334821;CC=C(C)OC(=CC)CC;RAMJDJWXEXZYSK-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334822;MM334822;CNC1CC(C#N)(CO)C1;IFQQUOGDZUQLOZ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334823;MM334823;CC=C(CC)OC(C)=CF;LEZBHLJBCZKDKD-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334824;MM334824;CNC1CC(C#N)(CF)C1;MQXPJFQULNUXGV-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334825;MM334825;CC=C(C)OC(=CF)CC;GUUXMJUWEOVFTQ-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334826;MM334826;C=CC1(CC)CC(OC)C1;VPQHULGPGCNENE-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334827;MM334827;CCC(=CF)OC(C)=CF;IYIAXWDQWXPYKI-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334828;MM334828;CCC1(C=O)CC(OC)C1;FMUFYCPBARUFHK-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334829;MM334829;CC=C(CN)OC(C)=CF;DPBPJRVXTWHYLK-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334830;MM334830;CCC1(C#N)CC(OC)C1;DYUAGWBOIOCAGY-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334831;MM334831;CC=C(C)OC(=CF)CN;AEUWYXSCKQKSLO-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334832;MM334832;C=CC1(CN)CC(OC)C1;JEATUQCHNQQOLA-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334833;MM334833;CC=C(C)OC(=CC)CO;FRVBLAIVWQBSOU-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334834;MM334834;C=CC1(CO)CC(OC)C1;WRDOKQUYBGOJHN-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334835;MM334835;CC=C(C)OC(=CF)CO;LXZKGFRDVIJOHG-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334836;MM334836;COC1CC(C=O)(CO)C1;HWTJVXFLOVCEOQ-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334837;MM334837;CC(=CF)OC(=CF)CO;GVCUEHYTXOCTCJ-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334838;MM334838;COC1CC(C#N)(CO)C1;OUMMCVZWAGMDLV-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334839;MM334839;CC=C(C)OC(=CC)CF;ZRVCMNXQGPWXMX-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334840;MM334840;C=CC1(CF)CC(OC)C1;PQHMSMCSQOPYKB-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334841;MM334841;CC=C(CF)OC(C)=CF;OHUPTCSMKGIIEN-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334842;MM334842;COC1CC(C#N)(CF)C1;RNIKCKRBAGXBSB-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334843;MM334843;CC=C(C)OC(=CF)CF;BNSISGKTULQUMQ-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334844;MM334844;CC1=NNC(C=O)C1C;FBXNNCLOCQGDGZ-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334845;MM334845;C=CC1(NC)CC(CC)C1;UZMOKIHAGQRIDQ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334846;MM334846;CC=C(CC)OC(C)=NO;JXQUAQZKPCJNKE-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334847;MM334847;C=CC1(NC)CC(CN)C1;ZOHHHPFKRPZPJV-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334848;MM334848;C#CC(CO)CCCC;MOPOYOJMPFSJAP-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334849;MM334849;C=CC1(NC)CC(CO)C1;JDCGKXBWRLSQMA-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334850;MM334850;N#CC1=CC2C(O)C2C1;JCUUTFTYAMKFKN-UHFFFAOYSA-N;121.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334851;MM334851;CCC1CC(C=O)(NC)C1;GIZBVZQEMAVOIY-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334852;MM334852;CC=C(CO)OC(C)=NO;KQJXVQVKLXTLCT-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334853;MM334853;CCC1CC(C#N)(NC)C1;QKRYVXFUNLOEIU-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334854;MM334854;CC(=NO)OC(=CF)CF;AJYJDCCXFBZLRX-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334855;MM334855;C=NN=CC1C(C=O)N1C;AGNVJRATCFTSEC-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334856;MM334856;CC#CC1=CC(C)(O)C=C1;NOMNWHFESHIUPW-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334857;MM334857;CNC1(C=O)CC(CF)C1;VDXVHCQCJJBROU-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334858;MM334858;C=C(C)CCC(C)C(N)=O;OWIZXGFOHJLUQM-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334859;MM334859;CNC1(C#N)CC(CF)C1;LGHZMEJUXIOTKM-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334860;MM334860;CCC(=NO)OC(C)=CF;AMQMUEYDVVEFRS-UHFFFAOYSA-N;147.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334861;MM334861;C=CC1(NC)CC(NC)C1;ZBQCTMIWJHRVPA-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334862;MM334862;C=C(C=CC(C)O)C(C)=O;JJRHPNRCYMADMY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334863;MM334863;CNC1CC(C=O)(NC)C1;KLFFFEWOEJZVAW-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334864;MM334864;C#Cc1[nH]nnc1O;AUOALHSQNSJHCV-UHFFFAOYSA-N;109.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334865;MM334865;CNC1CC(C#N)(NC)C1;SJUWLALYAZULPT-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334866;MM334866;CNN=C(C)C#CCC=O;DWVHOTCOOQAWGW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334867;MM334867;C=CC1(NC)CC(OC)C1;QFHQPEXXENHLQL-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334868;MM334868;CC(=NO)OC(CO)=NN;WIFYNGQRONRKTQ-UHFFFAOYSA-N;147.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334869;MM334869;CNC1(C#N)CC(OC)C1;PONODGPXQHZDFF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334870;MM334870;C=CC(=NO)OCC(=O)O;FCAVVCBPZUYXEB-UHFFFAOYSA-N;145.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334871;MM334871;C=CC1(OC)CC(CC)C1;MVWCHBJRWIVEBE-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334872;MM334872;C=CCCCC(C)C(N)=O;FMXLREVVRLFMJA-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334873;MM334873;CNC(=NO)OC(C)=NN;OBZMFVZKHKHREX-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334874;MM334874;C=CC1(OC)CC(CN)C1;UGVBWFLVXMOXCM-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334875;MM334875;C=CCC(CC=O)=NOC;UYCLHOXELDQTKM-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334876;MM334876;C=CC1(OC)CC(CO)C1;OEOWAGUYRGCDKZ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334877;MM334877;CC#Cc1cc(C)c(N)[nH]1;ZHFZIYYQNYJRMN-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334878;MM334878;C=CC1(OC)CC(CF)C1;KXEKMAWIMUEEGV-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334879;MM334879;C#CC(=C)CC(C#C)CO;NUNMCVVIKVOSSW-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334880;MM334880;CCC1CC(C=O)(OC)C1;BBJXERVUDZOIOK-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334881;MM334881;C=CC(=CC)CC(C)=CC;GWJDIGTURNQVDR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334882;MM334882;CCC1CC(C#N)(OC)C1;ABIOAGHVZUBLNV-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334883;MM334883;C=CC(=CF)CC(C)=CF;TYHZLWNSVHHIIC-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334884;MM334884;COC1(C=O)CC(CO)C1;GOIUBIPDHPLGNM-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334885;MM334885;CC=C(C)CC(C=O)=CC;NEQIGVFKQMFLGY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334886;MM334886;COC1(C#N)CC(CO)C1;XHINOOVIRDPFTO-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334887;MM334887;CC=C(C)CC(C#N)=CC;IMUUAYHPTFKDNQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334888;MM334888;COC1(C=O)CC(CF)C1;YEDCHFJMAUNPSC-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334889;MM334889;CC=C(C=O)CC(C)=CF;RCHHHYNVDZVMJT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334890;MM334890;COC1(C#N)CC(CF)C1;PYQZFFLLLCUXNK-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334891;MM334891;CC=C(C#N)CC(C)=CF;KALOORDRENHMDC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334892;MM334892;C=CC1(OC)CC(NC)C1;SDVVAEFZLRDAAB-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334893;MM334893;CC=C(C)CC(C=O)=CN;FJKAHSSDJZTNJJ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334894;MM334894;CNC1CC(C=O)(OC)C1;TVPGXAOZZMUIRL-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334895;MM334895;CC=C(C)CC(C#N)=CN;ASOOLIOPXIPRLZ-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334896;MM334896;CNC1CC(C#N)(OC)C1;ATYOHWHWXTYFEZ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334897;MM334897;CC=C(C)CC(C#N)=CF;IFWSUPDSRRYUJC-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334898;MM334898;C=CC1(OC)CC(OC)C1;TXVAUJUREZFGIZ-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334899;MM334899;CC(=CF)CC(C#N)=CF;YUEBUAPSKCJVCC-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334900;MM334900;COC1CC(C=O)(OC)C1;NMWDUIVESZNKCW-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334901;MM334901;C=CC(=CC)CC(F)=CC;QUUBWRWMSCFOHD-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334902;MM334902;COC1CC(C#N)(OC)C1;PJQGPVUPWJMYFN-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334903;MM334903;C=CC(=CC)CC(F)=CF;PMADWJCXXKNUMM-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334904;MM334904;C=CC1(CC)CC(CC)N1;VRHRVKKCLBSUGH-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334905;MM334905;C=CC(=CF)CC(F)=CF;ULFUMXGNOFQBAA-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334906;MM334906;C=CC1(CC)CC(CN)N1;FDXSAZITUHFDJJ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334907;MM334907;CC=C(F)CC(C=O)=CC;GGHBGVXNPDIXLA-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334908;MM334908;C=CC1(CC)CC(CO)N1;VGNBREJKQTVRJE-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334909;MM334909;CC=C(F)CC(C#N)=CC;POMPHCRXAHKJKB-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334910;MM334910;C=CC1(CC)CC(CF)N1;KPADTBVOLWFRRY-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334911;MM334911;CC=C(C=O)CC(F)=CF;HIGOOXMMOLBLML-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334912;MM334912;CCC1CC(C=O)(CC)N1;GVMQOUONYKHIOD-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334913;MM334913;CC=C(C#N)CC(F)=CF;LIIVBLUGCLPMHI-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334914;MM334914;CCC1(C=O)CC(CO)N1;WRWGVBCKBJDQSE-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334915;MM334915;CC=C(F)CC(C#N)=CN;QZIBHRFQJJTLRD-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334916;MM334916;C=CCCC1CC1O;KILQKNJKWFFXPP-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334917;MM334917;NC=C(C=O)CC(F)=CF;VPKTVHPMWXVNIN-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334918;MM334918;CCC1(C#N)CC(CF)N1;VNPVLUTXGRXADT-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334919;MM334919;C=CC(C#N)=CC(C)CO;AKWCPZBQJZYCTA-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334920;MM334920;C=CC1(CN)CC(CC)N1;FVQWOLIDZASOCX-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334921;MM334921;CC=C(F)CC(C#N)=CF;QXCGXDCEQYZJHJ-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334922;MM334922;C=CC1(CN)CC(CN)N1;HDPSJTZUPZOUEG-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334923;MM334923;O=CC(=CF)CC(F)=CF;ZRLQPEDXONHZRL-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334924;MM334924;C=CC1(CN)CC(CO)N1;CULZQNMRTTZAPX-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334925;MM334925;N#CC(=CF)CC(F)=CF;FSOUJGLVTAZOSI-UHFFFAOYSA-N;147.1;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334926;MM334926;C=CC1(CN)CC(CF)N1;HAGBQIOLKXLUJX-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334927;MM334927;C=CC(=CC)CC(C)=NN;XDDWAPDDXWBSBO-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334928;MM334928;C=CC1(CO)CC(CC)N1;CMSWSDIQHIUQII-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334929;MM334929;C=CC(=CC)CC(C)=NO;XKWQLDWYXXXUIL-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334930;MM334930;C=CC1(CO)CC(CN)N1;BYPABHUJOFSSCD-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334931;MM334931;C=CC(=CF)CC(C)=NN;XBERKGUIHWYRBK-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334932;MM334932;C=CC1(CO)CC(CO)N1;GQTNDYWESLEHEB-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334933;MM334933;C=CC(=CF)CC(C)=NO;WNNPRIYPFICGIQ-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334934;MM334934;CCC1CC(C=O)(CO)N1;OROFUJQXRULHIZ-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334935;MM334935;CC=C(C=O)CC(C)=NO;WUWAZXWXAGQAGX-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334936;MM334936;O=CCCC1CC1O;VKZMEFXPJQBUTO-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334937;MM334937;CC=C(C#N)CC(C)=NO;YRZNXZSVZZBUOZ-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334938;MM334938;C=CC(C)C(C)CCO;ZJGXRMCIHXXTKL-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334939;MM334939;CC(CC(C#N)=CF)=NO;MRNWZJQKZAZJDV-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334940;MM334940;CC(C=O)C(C)CCO;OTYKEZYRPNDVFG-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334941;MM334941;C=CC(CC(C)=CC)=NN;OWGYNVSCLUWUSV-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334942;MM334942;CCC1CC(C#N)(CF)N1;NQUNDAXGHHXRDG-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334943;MM334943;C#CC(CO)CCC(C)C;IVFPOBIBDXVDTM-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334944;MM334944;CN1CC1CC(=O)C#N;ZHMFKGZDONWEJD-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334945;MM334945;C=CC(CC(C)=CF)=NO;NNCXIAJKTQOFTD-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334946;MM334946;C=CC1(CC)CC(CC)O1;QRFXMHBUZBUGCP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334947;MM334947;C=CC(CC(F)=CC)=NN;ILXNNVCIGNBUHI-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334948;MM334948;C=CC1(CC)CC(CN)O1;RODQEPCRIXBNOJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334949;MM334949;CC1=CC(=CO)N=C1F;DOJLWRPUXFXNFC-UHFFFAOYSA-N;127.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334950;MM334950;C=CC1(CC)CC(CO)O1;FPOKMDLZKRFFJA-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334951;MM334951;C=CC(CC(C)=NO)=NN;OXMHLSWMDMWUIE-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334952;MM334952;C=CC1(CC)CC(CF)O1;NJCYWMHLRUXRSE-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334953;MM334953;C#CC(CO)CCC(C)F;MAMJSZIENJXYAK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334954;MM334954;CCC1CC(C=O)(CC)O1;HMBWSFPHOHVWOU-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334955;MM334955;C=CC(CC(C)=NO)=NO;DYLQDAKETDVUSQ-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334956;MM334956;CCC1CC(C#N)(CC)O1;OHEVMHGXPWYIFN-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334957;MM334957;CCC1(C=O)CC(CO)O1;PJLOOFQQLRTCAL-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334958;MM334958;C=CC(=CC)NC(C)=NC;TZRXYHCXIJGCLC-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334959;MM334959;CCC1(C#N)CC(CO)O1;RIKGOQONOGKIPV-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334960;MM334960;C=CC(=CC)N=C(C)NN;NJXPYCCOEVDCJP-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334961;MM334961;CCC1(C=O)CC(CF)O1;VAAPHWBHGPNZHH-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334962;MM334962;C=CC(=CC)N=C(C)NO;OGXUPAFMWSDZAM-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334963;MM334963;CCC1(C#N)CC(CF)O1;JUMPNNWCWOTJMM-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334964;MM334964;C=CC(=CF)N=C(C)NN;VKRPRRJBCUIEFS-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334965;MM334965;C=CC1(CN)CC(CC)O1;HMODRANXFIAWQD-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334966;MM334966;C=CC(=CF)NC(C)=NO;PLBDVNIGCLLSNG-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334967;MM334967;C=CC1(CN)CC(CN)O1;QTBHFCODXGPKFZ-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334968;MM334968;CC=C(C#N)NC(C)=NC;MUGSCOQCIBOWBA-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334969;MM334969;C=CC1(CN)CC(CO)O1;RELSZJVMPDDBCB-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334970;MM334970;C=CC(=NC)NC(C)=CC;NGIOVMSCZYVMEG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334971;MM334971;C=CC1(CN)CC(CF)O1;AKPVWRPNPNBONO-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334972;MM334972;C=CC(=NC)NC(C)=CF;IGMWCZJOBIQTQI-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334973;MM334973;C=CC1(CO)CC(CC)O1;NSMQQVUUJTVRAF-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334974;MM334974;C=CC(=NC(C)=CC)NN;NFJLRTGCZFSBPM-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334975;MM334975;C=CC1(CO)CC(CN)O1;YDRVDCVMJRXLKW-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334976;MM334976;C=CC(=NC(C)=CC)NO;YGUJHJBDTGOVEB-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334977;MM334977;C=CC1(CO)CC(CF)O1;QNDWGNCNCXUGAT-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334978;MM334978;CC=C(C)NC(C=O)=NC;KNZJDXMRGKESLH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334979;MM334979;CCC1CC(C=O)(CO)O1;PFRLRWLPPKFHPZ-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334980;MM334980;CC=C(C)NC(C#N)=NC;CUOUAWGPSZFRGG-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334981;MM334981;CCC1CC(C#N)(CO)O1;AOHLGXFBVOMIRQ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334982;MM334982;C=CC(C=CC(C)O)=CC;JPLLLJBVUWVDBQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334983;MM334983;O=CC1(CO)CC(CO)O1;ZUUJNGFXOGFEGH-UHFFFAOYSA-N;146.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334984;MM334984;CC(=CF)N=C(C#N)NO;JYRMKNINSXTTOR-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334985;MM334985;N#CC1(CO)CC(CO)O1;KGBZMYLSJBSDRP-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334986;MM334986;C=CC(=NC)NC(C)=NC;SPOJZRFQTPHYLD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334987;MM334987;N#CC1(CO)CC(CF)O1;SKIHDZKKVOHXOX-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334988;MM334988;C=CC(C=CC(C)O)=CF;WWAQRUZZSOOXQL-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334989;MM334989;C=CC1(CC)CN(CC)C1;KVSCWVNMUHOVGJ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334990;MM334990;C=CC(=CC)OC(C)=CC;OUYQGDBIWRBAID-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334991;MM334991;CCN1CC(C#N)(CC)C1;QQJHQXIOVOLIGD-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334992;MM334992;C=CC(=CC)OC(C)=CF;DPMUZOKSLZPIAO-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334993;MM334993;C=CC1(CN)CN(CC)C1;CJIOZQBWVLCZLH-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334994;MM334994;C=CC(=CF)OC(C)=CC;VSTWAERNPGQPJF-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334995;MM334995;C=C(F)CCC1CC1O;BZYSUCXTOFQWKC-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334996;MM334996;C=CC(=CF)OC(C)=CF;FRECDFVWMALOCF-UHFFFAOYSA-N;146.14;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334997;MM334997;CCN1CC(C#N)(CF)C1;WUFKVVBJHPHEOU-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334998;MM334998;CC=C(C)OC(C=O)=CC;WJFXCIVZLRZHMG-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM334999;MM334999;C=CC1(NC)CN(CC)C1;MFVATTVHWQSJIK-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335000;MM335000;CC=C(C)OC(C#N)=CC;OTOQMTAYRKGIDO-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335001;MM335001;CCN1CC(C#N)(NC)C1;ZSBXUJKLHFEZIF-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335002;MM335002;CC=C(C=O)OC(C)=CF;ULWCMHCUXPXIKV-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335003;MM335003;CCN1CC(C#N)(OC)C1;BRNGLMRCOUBGLX-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335004;MM335004;CC=C(C#N)OC(C)=CF;WSWASMCZAFFBPJ-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335005;MM335005;C=CC1CC(C=C)(CC)C1;OQGYPQZTDDIESY-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335006;MM335006;CC=C(C)OC(C=O)=CN;OCJYDXOPEUMABN-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335007;MM335007;C=CC1(CC)CC(C=O)C1;JZOYOGKPPJBXHI-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335008;MM335008;CC=C(C)OC(C#N)=CN;JHZSGRQGBNKRBL-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335009;MM335009;C=CC1(CC)CC(C#N)C1;UMQSUYGIMXBQCJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335010;MM335010;CC(=CF)OC(C#N)=CN;JJAXNZWXLGURTE-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335011;MM335011;C=CC1CC(C=O)(CC)C1;RRPRYVCVJYFYKQ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335012;MM335012;CC=C(C)OC(C=O)=CF;QMTVISKNUAZZKV-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335013;MM335013;C=CC1CC(C#N)(CC)C1;RNDGUQFHVZPJQX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335014;MM335014;CC=C(C)OC(C#N)=CF;PHGHNUVQZDNWFC-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335015;MM335015;CCC1(C=O)CC(C=O)C1;HQNRYRSETMWAOC-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335016;MM335016;CC=C(C=O)C=CC(C)O;GSHHIOGPBFDHOR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335017;MM335017;CCC1(C=O)CC(C#N)C1;ULENKLDOIDSJFV-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335018;MM335018;CC(O)C=CC(C=O)=CF;QWLCDLRBJXECIZ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335019;MM335019;CCC1(C#N)CC(C=O)C1;XUWUIXGWXKYPOV-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335020;MM335020;C=CC(=CF)OC(C)=NO;WAPMWAVMWPVJAL-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335021;MM335021;CCC1(C#N)CC(C#N)C1;RABAGOHSIZEEBM-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335022;MM335022;CC(CO)CC1(C#N)CC1;BVVIGXXJNFSEAK-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335023;MM335023;C=CC1CC(C=C)(CN)C1;WOCSRXDRJIKRIP-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335024;MM335024;COC(C)C(=O)N(N)C=N;CVKIPXUDDSWADG-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335025;MM335025;C#Cc1[nH]c(N)cc1C;ASKDHMSBCHXMMB-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335026;MM335026;C=CC(=NO)OC(C)=CC;VQCHONGCZAPMAY-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335027;MM335027;C=CC1C=CC(O)C1=C;VQLFOPCFDZUJQG-UHFFFAOYSA-N;122.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335028;MM335028;C=CC(=NO)OC(C)=CF;RJUOMGPJKBBWEZ-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335029;MM335029;CC=CCCC1CC1O;IWDKFBTUUXXFFW-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335030;MM335030;C=C(C=NO)OCC(=O)O;AQGPXJYCTPXLKP-UHFFFAOYSA-N;145.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335031;MM335031;C=CC1CC(C=O)(CO)C1;YFWLPDPSEABBJO-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335032;MM335032;N#Cc1n[nH]c(O)nc1=N;IVNCQTCQSMFNSO-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335033;MM335033;C=CC1CC(C#N)(CO)C1;RPUSLUNZBJUTJN-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335034;MM335034;C=NOCC(=O)C=CC#N;HUVPUHLWLPBBDG-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335035;MM335035;O=CC1CC(C=O)(CO)C1;ZGVZGSGCUKLTJL-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335036;MM335036;C=CC(=NN)OC(C)=NO;SLHCIKTVTWCMDE-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335037;MM335037;N#CC1CC(C=O)(CO)C1;JSNMHBPSFMZLGP-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335038;MM335038;C=CC(=NO)OC(C)=NN;MZOPGPBRJAJAGH-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335039;MM335039;N#CC1(CO)CC(C=O)C1;AGTXJASFQJKKQF-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335040;MM335040;C=CC(=NO)OC(C)=NO;YHFVADBEZGDMPN-UHFFFAOYSA-N;144.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335041;MM335041;N#CC1CC(C#N)(CO)C1;ZJEURPKLUKCYNU-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335042;MM335042;C#CC(=CC)CC(C)=CC;MCEMVFCEUSQWMV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335043;MM335043;C=CC1CC(C=C)(CF)C1;CYYPJUHYRGKPTM-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335044;MM335044;C#CC(=CC)CC(C)=CF;YIVBOBFZDQWEGN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335045;MM335045;C=CC1(CF)CC(C#N)C1;JUKOEHMZSBZELM-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335046;MM335046;C#CC(=CF)CC(C)=CC;QTIQUMZAVDXTHA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335047;MM335047;C=CC1CC(C=O)(CF)C1;ARGLSTIPXBLREW-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335048;MM335048;C#CC(=CF)CC(C)=CF;NMIDPVUCPMZECM-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335049;MM335049;C=CC1CC(C#N)(CF)C1;VHYUEGHSGWXHLP-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335050;MM335050;C#CC(=CC)CC(F)=CC;JRWOEZPAYFHSHR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335051;MM335051;N#CC1(CF)CC(C=O)C1;BTQDJJDMCMQWSE-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335052;MM335052;C#CC(=CC)CC(F)=CF;BGZPDAYJESOFCJ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335053;MM335053;N#CC1CC(C#N)(CF)C1;UXEWEMBOBFRDNB-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335054;MM335054;C#CC(=CF)CC(F)=CC;JFXKCMXWNGAQRH-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335055;MM335055;C=CC1CC(C=C)(NC)C1;QJGGELMQUCVWBW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335056;MM335056;C#CC(=CF)CC(F)=CF;MUQLJIWHYICZHI-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335057;MM335057;C=CC1(NC)CC(C=O)C1;LFOUDHBBMLBAKI-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335058;MM335058;C#CC(=CC)CC(C)=NN;NINXXYOUZVVCKA-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335059;MM335059;C=CC1(NC)CC(C#N)C1;NZHPOCAFISWAFB-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335060;MM335060;C#CC(CC(C)=NO)=NO;HGNNABOWQNIFRA-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335061;MM335061;C=CC1CC(C=O)(NC)C1;ARZCRASYYNLUER-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335062;MM335062;C#CC(=CC)NC(C)=NC;ACZAFOVEIQEGCU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335063;MM335063;C=CC1CC(C#N)(NC)C1;DECQBTNOCWVOOX-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335064;MM335064;C#CC(=CC)N=C(C)NN;MFKQHCWAMHGLMW-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335065;MM335065;C#CC1(C(C)C=O)CN1;APWCDYARIKTTOW-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335066;MM335066;C#CC(=CF)NC(C)=NC;ACPRTKZNPOUPKA-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335067;MM335067;CNC1(C#N)CC(C#N)C1;YRIPJULRKOOFKJ-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335068;MM335068;C#CC(=CF)NC(C)=NO;IOXRFXGYHHEZQC-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335069;MM335069;C=CC1CC(C=C)(OC)C1;IUAXOYHNUXTOOR-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335070;MM335070;C#CC(=NC)NC(C)=CC;IDNSZQYMKGCKIO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335071;MM335071;C=CC1(OC)CC(C=O)C1;IFQFDGBTMUSPNU-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335072;MM335072;CC(=NOC=O)OCC=O;VEUWUROIKSWLDA-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335073;MM335073;C=CC1(OC)CC(C#N)C1;HBFHBLMNVHDDMP-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335074;MM335074;C=CC1CC(C=O)(OC)C1;MHOTUQFYSQCUJO-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335075;MM335075;C=CCC(C#CCC)CO;PMJRNJGKSMVSJS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335076;MM335076;C=CC1CC(C#N)(OC)C1;RGZPQYYXJSZDBQ-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335077;MM335077;C#CC(=CC)OC(C)=CC;RFFATTQVGAKTLW-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335078;MM335078;COC1(C=O)CC(C=O)C1;JYWVJAJNBQBGQH-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335079;MM335079;C#CC(=CC)OC(C)=CF;IROPSHMWBFUPOO-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335080;MM335080;COC1(C=O)CC(C#N)C1;BCMHHRWEIAGONV-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335081;MM335081;C#CC(=CF)OC(C)=CC;FPRXCHQFUBHETJ-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335082;MM335082;COC1(C#N)CC(C=O)C1;FOWXXJSTIXIZHQ-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335083;MM335083;C#CC(CO)CCCCC;GZGJIAZRLUGTJX-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335084;MM335084;COC1(C#N)CC(C#N)C1;WLROKYAXHREVLR-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335085;MM335085;C#CC(=CC)OC(C)=NO;CUZLGJWRDXSPHR-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335086;MM335086;C=CC1CC(C=C)(CC)N1;FTWAIJHAMLHFBY-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335087;MM335087;C#CC(CO)CCCOC;KGZUJFBHXKLWHX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335088;MM335088;C=CC1(CC)CC(C#N)N1;DJKNXXIZRAMPPZ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335089;MM335089;C#CC(=CF)OC(C)=NO;YTRYYKFTKRDEKZ-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335090;MM335090;C=CC1CC(C#N)(CC)N1;AVEHLLMFZKYBEI-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335091;MM335091;C#CC(CO)CCCC=C;DBOCIQGWCJTPCH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335092;MM335092;CCC1(C=O)CC(C#N)N1;FWASMMLPVFSWNW-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335093;MM335093;C#CCCCC(C#C)CO;MPYUTUBRQKSPTE-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335094;MM335094;N#CC1C=CC(CO)C1;XBMNPIHVULHPAC-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335095;MM335095;C#CC(=NO)OC(C)=CC;QRUZNLHZLMJLLQ-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335096;MM335096;CCC1(C#N)CC(C#N)N1;BPGXQFGEHVEMKV-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335097;MM335097;C#CC(=NO)OC(C)=CF;AXCQSNGBPFUSFV-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335098;MM335098;C=CC1CC(C=C)(CN)N1;AAPJERBKRFZWRP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335099;MM335099;CCC(C)=CC(CC)CC;HJKYXSIRZBLSIL-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335100;MM335100;C=CC1CC(C=C)(CO)N1;QXISMSCWOBHILY-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335101;MM335101;CCC(C=C(C)CN)CC;QMHPOZUZPRQKMT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335102;MM335102;CCC(C)(C)CCC(N)=O;VYXXHMKUYMLQRD-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335103;MM335103;CCC(C=C(C)CO)CC;PFKHOYZQAGQALG-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335104;MM335104;CC=CC#CC(C)(C)CO;ASHMAYSQTCYLJK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335105;MM335105;CCC(C=C(C)CF)CC;PTOUWBDXOZUVQA-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335106;MM335106;C=CC(C)(C)C(C)CCO;GSEBZCKEODUOSO-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335107;MM335107;CC(CCO)C(C)(C)C=O;GYPMNYSCMUHXPV-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335108;MM335108;CCC(C)=CC(CC)CN;ZHYBAJMYERNLNL-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335109;MM335109;C=CC(C)(O)C(=C)C#CC;PCDFTYCIGWJGPM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335110;MM335110;CCC(C=C(C)CO)CN;CNHFSKOTRJOZMY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335111;MM335111;C=CC1CC(C=C)(CC)O1;XXENOKVGERZLQN-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335112;MM335112;CCC(C=C(C)CN)CO;XNZHKTMGEQOJJY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335113;MM335113;C=CC1(CC)CC(C=O)O1;XTUVZQJBSSGFMH-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335114;MM335114;C#CC(CF)CC1CC1O;CISIXWFFOMLZIX-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335115;MM335115;C=CC1(CC)CC(C#N)O1;HMLGGPJUGSXTSJ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335116;MM335116;CCC(C)=CC(CC)CF;URPMLMCLMHCLGL-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335117;MM335117;C=CC1CC(C=O)(CC)O1;ZZKONWYYIVKRCP-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335118;MM335118;CCC(C=C(C)CN)CF;AGMSPWOIQDBQPX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335119;MM335119;C=CC1CC(C#N)(CC)O1;CGENFZAFYUQIPX-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335120;MM335120;CCC(C=C(C)CO)CF;GUKZPIIWQRSKIX-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335121;MM335121;CCC1(C=O)CC(C=O)O1;CCJSCWZKFJSWSZ-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335122;MM335122;CCC(C=C(C)CF)CF;DPVHMFDUYOXPNK-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335123;MM335123;CCC1(C=O)CC(C#N)O1;FXSROEKNRSULCC-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335124;MM335124;CC(=CC(CN)CN)CN;CMAJKXKBLZEOAV-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335125;MM335125;CCC1(C#N)CC(C=O)O1;UQOMDOLWDUWDOW-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335126;MM335126;CC(=CC(CN)CN)CO;SSKNJJFATKNDCA-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335127;MM335127;CCC1(C#N)CC(C#N)O1;YOCWICSQIAGUNG-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335128;MM335128;CCC(C)=CC(CN)CF;SKRSSBRHMXZSJR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335129;MM335129;C=CC1(CO)CC(C=O)O1;VJHIQWSXWPEQPI-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335130;MM335130;CC(=CC(CN)CF)CO;VLZDLNDYHZBHFG-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335131;MM335131;C=CC1(CO)CC(C#N)O1;QTSLXVVIZNVHQR-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335132;MM335132;CC(=CC(CO)CO)CO;MHHOLCGHHSSCPB-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335133;MM335133;O=CC1CC(C=O)(CO)O1;MRYGAFQGNZDRTK-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335134;MM335134;N#CC1(CO)CC(C=O)O1;FWYKPYKYUUBMJZ-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335135;MM335135;CCC(C)=CC(CF)CF;BPRMKHLGSCXMOT-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335136;MM335136;N#CC1CC(C#N)(CO)O1;XOFVXABLVODUPN-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335137;MM335137;CC(=CC(CF)CF)CO;OJVXSGFUADTZCN-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335138;MM335138;C=CC1CC(C=C)(CF)O1;ZDQWORGEXGGSBL-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335139;MM335139;CC(=CC(CF)CF)CF;UDAYNAKMMZZBFX-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335140;MM335140;C=CC1(CC)CN(C=N)C1;DTMCQPPNWMTWAP-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335141;MM335141;CCC(F)=CC(CC)CC;AXWGYKZKIQSZRJ-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335142;MM335142;C=CC1(CC)CN(C=O)C1;NLMWCGRFJSJKCK-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335143;MM335143;CCC(F)=CC(CC)CN;DBDMVCGEQLZVKY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335144;MM335144;CCC1(C=O)CN(C=N)C1;DXQTZYCDLLCIAS-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335145;MM335145;CCC(C=C(F)CO)CN;WGIOMQAVNLOPJN-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335146;MM335146;CCC1(C#N)CN(C=N)C1;FBGAKYCNJVPOBM-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335147;MM335147;CCC(C=C(F)CF)CN;IYQXVAMSBSLSDN-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335148;MM335148;CCC1(C=O)CN(C=O)C1;QNEGJBYWPQDXEO-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335149;MM335149;CCC(F)=CC(CC)CO;ZVWRDCDOIAZYKE-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335150;MM335150;CCC1(C#N)CN(C=O)C1;GTWHBHUZDRBEAM-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335151;MM335151;CCC(C=C(F)CO)CF;CGZOHCAVNPIQGU-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335152;MM335152;C=CC1(CN)CN(C=N)C1;PILMETNOYWLBJI-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335153;MM335153;NCC(C=C(F)CO)CN;RKSHCRYMDIVSKN-UHFFFAOYSA-N;148.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335154;MM335154;C=CC1(CN)CN(C=O)C1;IIOPZARSOIBZLS-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335155;MM335155;NCC(C=C(F)CF)CN;SIZFTOHNNHBPQM-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335156;MM335156;C=CC1(CO)CN(C=N)C1;UDJUMWDBQXBPES-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335157;MM335157;NCC(F)=CC(CN)CO;IOAHWUWXRFZBJR-UHFFFAOYSA-N;148.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335158;MM335158;C=CC1(CO)CN(C=O)C1;ADEUEVYWYUGDDI-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335159;MM335159;NCC(C=C(F)CF)CO;NBBSVRCHULIZIN-UHFFFAOYSA-N;151.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335160;MM335160;N=CN1CC(C=O)(CO)C1;PHUXYZDSTXBOPA-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335161;MM335161;CCC(F)=CC(CN)CF;SUKIMHLWRPHOBF-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335162;MM335162;N#CC1(CO)CN(C=N)C1;LZKGTMNNWZLOEY-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335163;MM335163;O=CN1CC(C=O)(CO)C1;XDNDZZUIBCLFDM-UHFFFAOYSA-N;143.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335164;MM335164;NCC(F)=CC(CN)CF;QUYCXIBEOFOEPR-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335165;MM335165;N#CC1(CO)CN(C=O)C1;OFCQCMFJBFDMPT-UHFFFAOYSA-N;140.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335166;MM335166;NCC(C=C(F)CO)CF;OYLZELDUIHAZBU-UHFFFAOYSA-N;151.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335167;MM335167;N#CC1(CF)CN(C=N)C1;NPYYEUIFDJSRIR-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335168;MM335168;OCC(F)=CC(CO)CO;ZVIKYZWALYJDTO-UHFFFAOYSA-N;150.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335169;MM335169;N#CC1(CF)CN(C=O)C1;ACAKJTFEGNMXJD-UHFFFAOYSA-N;142.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335170;MM335170;OCC(C=C(F)CF)CF;KAJPGTAOOWMHTK-UHFFFAOYSA-N;154.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335171;MM335171;C=CC1(CC)CN(N=C)C1;BDZDUZIUTWRYSC-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335172;MM335172;OCC(F)=CC(CF)CF;DIFCRTNTYICELT-UHFFFAOYSA-N;154.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335173;MM335173;C=NN1CC(C=O)(CC)C1;GHVQWXGSSXAPEL-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335174;MM335174;FCC(F)=CC(CF)CF;QCQICCUIMALPJK-UHFFFAOYSA-N;156.12;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335175;MM335175;C=NN1CC(C#N)(CC)C1;WNSVCHQOEPSSJY-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335176;MM335176;CCC(C=C(C)OC)CC;ZLBAEEUOXUJADV-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335177;MM335177;C=CC1(CN)CN(N=C)C1;NEXHHQJJJPTJBE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335178;MM335178;CCC(C=C(C)OC)CN;HRCDVQHITBOJLE-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335179;MM335179;CCC(C)(C)C1CC(O)C1;HMYAUIWBXVNPRW-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335180;MM335180;CCC(C=C(C)OC)CF;AUBBEQYTUXVEOC-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335181;MM335181;CCCC(C)CCC(N)=O;SIMJIIQYIHXPJG-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335182;MM335182;COC(C)=CC(CN)CN;FPJPVYNEVFOUKV-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335183;MM335183;CC(C)C(C)CCC(N)=O;BCZWANVKNDPAMA-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335184;MM335184;C=NN1CC(C#N)(CF)C1;JFHWZUSGVPRDTO-UHFFFAOYSA-N;141.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335185;MM335185;COC(C)=CC(CN)CF;APTWYYXFBBCYHW-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335186;MM335186;C=CC1(NC)CN(C=N)C1;NXLQBUZKXICHSB-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335187;MM335187;COC(C)=CC(CO)CF;AGCSRHHRUGEGCX-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335188;MM335188;CNC1(C=O)CN(C=N)C1;IUTDIJXAJVEGRT-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335189;MM335189;COC(C)=CC(CF)CF;OKENGGRNNCYCFM-UHFFFAOYSA-N;150.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335190;MM335190;CNC1(C#N)CN(C=N)C1;JITDYQXFSPOUPH-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335191;MM335191;CCC(C=C(C)CF)NC;DNNXNNRXFKZDLD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335192;MM335192;CNC1(C#N)CN(C=O)C1;FFDQPZHVIVDCBD-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335193;MM335193;CCC(C)=CC(CN)NC;KROPIGNESHGKAM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335194;MM335194;C=NN1CC(C#N)(NC)C1;WUWUCPKQHKKFLV-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335195;MM335195;CNC(C=C(C)CN)CN;MVZSNZWUFLAWQM-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335196;MM335196;C=CC1(OC)CN(C=N)C1;QPXLKVRHXFXVSD-UHFFFAOYSA-N;140.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335197;MM335197;CNC(C=C(C)CO)CN;NBZWAVWWDTUDON-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335198;MM335198;C=CC1(OC)CN(C=O)C1;OMOPIZSMNCBJJI-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335199;MM335199;CCC(F)=CC(CC)NC;KJANSTGIPSYGQY-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335200;MM335200;COC1(C=O)CN(C=N)C1;FFCRKFHGSJVZBC-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335201;MM335201;CCC(C=C(F)CF)NC;PMCNYDLIMFXJQX-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335202;MM335202;COC1(C#N)CN(C=N)C1;LKROMOHMKFZGNP-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335203;MM335203;CNC(C=C(F)CF)CN;NQRAZXHVMQUAIM-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335204;MM335204;COC1(C=O)CN(C=O)C1;NPFAUPXZTQJIEH-UHFFFAOYSA-N;143.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335205;MM335205;CNC(C=C(F)CN)CO;FKOJONLYLCLLAN-UHFFFAOYSA-N;148.18;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335206;MM335206;COC1(C#N)CN(C=O)C1;UCDRWGXKCGPVNL-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335207;MM335207;CCC(C=C(C)OC)NC;PBGNRVTUIKILNH-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335208;MM335208;C=CC1(OC)CN(N=C)C1;ZPUJPRKBJMNEMT-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335209;MM335209;CNC(C=C(C)OC)CN;JAVHFYJHTPTINO-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335210;MM335210;C=NN1CC(C=O)(OC)C1;VLWSIMYIWRBQEY-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335211;MM335211;C=NN1CC(C#N)(OC)C1;FKHVSECFGKHTFG-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335212;MM335212;CNC(C=C(C)OC)CO;QNPONIAOYPOQDI-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335213;MM335213;C#CC1CC(C=C)(CC)C1;INUXYXLDLAYHPG-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335214;MM335214;CCC(C)=CC(CC)OC;YBRCEPNBACZLJX-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335215;MM335215;C#CC1CC(C=O)(CC)C1;RGUZKCGLANAVGV-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335216;MM335216;CCC(C=C(C)CN)OC;KSEWKECDPFNHTJ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335217;MM335217;C#CC1CC(C#N)(CC)C1;RDTDHORNZGXJJO-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335218;MM335218;CCC(C=C(C)CO)OC;XUQVEDKKFBENDE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335219;MM335219;C#CC1CC(C=C)(CN)C1;BJBOETAGXKHBCE-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335220;MM335220;CCC(C=C(C)CF)OC;QBXOZGZYLGRDAE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335221;MM335221;CCC(C)CCCC(N)=O;PVDIWSSUJZTYJS-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335222;MM335222;COC(C=C(C)CO)CO;TZWDPSAARFIXFO-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335223;MM335223;C#CC1CC(C=O)(CO)C1;YTJACONDCIIVMG-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335224;MM335224;CCC(F)=CC(CC)OC;IQXUTBDGMZUZIL-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335225;MM335225;C#CC1CC(C#N)(CO)C1;LUZUBOUDXQVZJP-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335226;MM335226;COC(C=C(F)CN)CN;ZATTVYZHMMKNIU-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335227;MM335227;C#CC1CC(C=C)(CF)C1;DWLQZUAAOYKAHN-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335228;MM335228;COC(C=C(F)CO)CO;MNGLLYYSCGITNK-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335229;MM335229;C#CC1CC(C#N)(CF)C1;YOPLRDSTSWOJGR-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335230;MM335230;COC(C=C(F)CF)CF;MXUVUQQKPAELIZ-UHFFFAOYSA-N;154.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335231;MM335231;C#CC1CC(C=C)(NC)C1;YWKCBLPEKFHYPV-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335232;MM335232;CCC(C=C(C)OC)OC;ZIBCLGYKUPEVQU-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335233;MM335233;C#CC1CC(C=O)(NC)C1;IWBPXYFMSLPVGF-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335234;MM335234;COC(C)=CC(CF)OC;HVVSRMCTAQMSIX-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335235;MM335235;C#CC1CC(C#N)(NC)C1;VGYRAXXNPHSSQN-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335236;MM335236;CCC(C)=CC(OC)OC;DFHURRBDJQLICC-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335237;MM335237;C#CC1CC(C=C)(OC)C1;KJZFSEJLPYFTRL-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335238;MM335238;COC(C)=CC(OC)OC;PKOVQEMHBFHAOU-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335239;MM335239;C#CC1CC(C=O)(OC)C1;NRYJISKITLRLEW-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335240;MM335240;C#CC1CC(C#N)(OC)C1;CYYDKOPXGNHRAO-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335241;MM335241;CCC(C)=NN(CC)CC;KMWQDYIEBWJWIC-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335242;MM335242;C#CC1CC(C=C)(CC)N1;LSLIVJRAMPUQKQ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335243;MM335243;CCN(CC)N=C(C)OC;UMRAMSXXIFKQJI-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335244;MM335244;C#CC1CC(C#N)(CC)N1;PWAJHBXUQMNRMJ-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335245;MM335245;C=CC(C)=CC(CC)CC;GFYTUPOQJOZXJD-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335246;MM335246;C#CC1CC(C=C)(CN)N1;DOCAPCOIHDZMSU-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335247;MM335247;CCC(C=C(C)C=O)CC;ATFHCARXSNAIKK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335248;MM335248;C#CC1CC(C=C)(CC)O1;CBOILRBTYWLMGE-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335249;MM335249;CCC(C=C(C)C#N)CC;BFXPRZYTQMENCJ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335250;MM335250;C#CC1CC(C=O)(CC)O1;ZEHNQRFLEYXYTF-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335251;MM335251;C=CC(C)=CC(CC)CN;UCCKZHZARSKHOE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335252;MM335252;C#CC1CC(C#N)(CC)O1;SVCKMMGIUYQMQQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335253;MM335253;CCC12CN(N)C(=O)C1N2;MDSSPXHWCMBPTG-UHFFFAOYSA-N;141.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335254;MM335254;C#CC1CC(C=C)(CN)O1;PEDWQHJSAMZBRU-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335255;MM335255;CCn1onc(NN)c1=O;HSEPCROTKAZDLU-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335256;MM335256;C#CC1CC(C=C)(CO)O1;NXMGBUWRJIZIHK-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335257;MM335257;C=CC(C)=CC(CC)CF;URIYHUJBIKEYPJ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335258;MM335258;C#CC1CC(C=O)(CO)O1;QANJZXKPOSZJSM-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335259;MM335259;CCC(C=C(C)C=O)CF;RLWQOSHQFSLSAV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335260;MM335260;C#CC1(CC)CC(CC)C1;GRJWGQZUNJHVAH-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335261;MM335261;CCC(C=C(C)C#N)CF;TZKQQGJXSVAIRS-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335262;MM335262;C#CC1(CC)CC(CN)C1;BLLJBTXVIKBVHF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335263;MM335263;C=CC(C)=CC(CN)CF;IZTGBMFORNQZLS-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335264;MM335264;CC(=O)C(C)C(C)CCO;YNEAZSUNBVTUCF-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335265;MM335265;C=CC(C)=CC(CO)CO;GICCCHJHEAZOHY-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335266;MM335266;C#CC1(CC)CC(CF)C1;STIVHBGESWOYDW-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335267;MM335267;CC(C=O)=CC(CO)CO;OEGIRSSMCGAMQE-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335268;MM335268;C#CC1(CN)CC(CC)C1;FJCKDYDRTLTAJM-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335269;MM335269;CC(C#N)=CC(CO)CO;LZNXXRCXMUJDBT-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335270;MM335270;C#CC1(CN)CC(CN)C1;BFRSOPZDVMEMDI-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335271;MM335271;C#CC1(CN)CC(CO)C1;CANROSZTAONXFY-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335272;MM335272;C=CC(C)=CC(CO)CF;PGPNBFSUUIMKEC-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335273;MM335273;C#CC1(CN)CC(CF)C1;USGYJVBWMMSFBA-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335274;MM335274;CC(C#N)=CC(CO)CF;BXOOLJFOJFJSSE-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335275;MM335275;C#CC1(C)NC1C(=O)C=O;LJUMKCABIVZTPN-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335276;MM335276;C=CC(C)=CC(CF)CF;CZSWWYIUPIQGCL-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335277;MM335277;C#CC1(CO)CC(CN)C1;TZLBVBQUQUNBDA-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335278;MM335278;CC(C=O)=CC(CF)CF;ZGBQSGWTNPCICM-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335279;MM335279;CCC(CC)CCC(N)=O;MDBDGGATYFWGGY-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335280;MM335280;C=CC(F)=CC(CC)CC;IWLWCQWLNFFIJA-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335281;MM335281;C=NNC=NN=C(C)C#N;YZHAFCIQTYEERI-UHFFFAOYSA-N;137.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335282;MM335282;CCC(C=C(F)C=O)CC;WDAVGCHXDKAOIM-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335283;MM335283;C#CC1(CF)CC(CC)C1;KQGMOMYJELVSLZ-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335284;MM335284;CCC(C=C(F)C#N)CC;SSCDVCDAUPYMBD-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335285;MM335285;C#CC1(CF)CC(CN)C1;XIXXURWDKXBAJI-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335286;MM335286;C=CC(F)=CC(CC)CN;SRUKNIJWEZRNKR-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335287;MM335287;C#CC(=NN=CC)NN=C;MQGLVPHCSPJMIL-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335288;MM335288;C=CC(F)=CC(CC)CF;DWOHMTDVRGVISO-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335289;MM335289;C#CC1(CC)CC(NC)C1;MYQBFMXHKRHEPX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335290;MM335290;CCC(C=C(F)C=O)CF;HDXLRCRMFWIEBK-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335291;MM335291;C#CC1(CN)CC(NC)C1;JFNNKCOVARTUFA-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335292;MM335292;CCC(C=C(F)C#N)CF;AXULLOQIPNSCOS-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335293;MM335293;C#CC1(CO)CC(NC)C1;CFISKIQNZBPSSN-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335294;MM335294;C=CC(F)=CC(CN)CN;HFYAFBUIJDLJML-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335295;MM335295;C#CC1(CF)CC(NC)C1;ZAKRYAVAGHATIJ-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335296;MM335296;C=CC(F)=CC(CN)CF;VOIKFCNNDBOILN-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335297;MM335297;C#CC1(CC)CC(OC)C1;UNEYGYYFTVEOEH-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335298;MM335298;C=CC(F)=CC(CO)CO;GZBFUBPEEUSZNS-UHFFFAOYSA-N;146.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335299;MM335299;C#CC1(CN)CC(OC)C1;SJILHLWOMRYXLR-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335300;MM335300;N#CC(F)=CC(CO)CO;UYKSSXORUKKNAO-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335301;MM335301;C#CC1(CO)CC(OC)C1;MSVFHZCDVLNQQE-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335302;MM335302;C=CC(F)=CC(CF)CF;PHTQIZVPNVDPKB-UHFFFAOYSA-N;150.14;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335303;MM335303;C#CC1(CF)CC(OC)C1;OCPKGDSUQAYLCI-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335304;MM335304;C#CC1(NC)CC(CC)C1;NBGUAGXRPZAWHM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335305;MM335305;C=CC(C)=CC(CC)NC;HDQMKHDYRYWFMN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335306;MM335306;C#CC1(NC)CC(CN)C1;ZCBKFZNWBLKSJG-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335307;MM335307;CCC(C=C(C)C=O)NC;JKGAVZQAMASAEW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335308;MM335308;C#CC1(NC)CC(CO)C1;KXPQWTLHSMWHNW-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335309;MM335309;CCC(C=C(C)C#N)NC;JRDSJBPOLFJLHT-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335310;MM335310;C#CC1(NC)CC(CF)C1;DPZISLBMGCMFBY-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335311;MM335311;C=CC(F)=CC(CC)NC;LNFWUBGWZRECLE-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335312;MM335312;C#CC1(NC)CC(NC)C1;CWFMAXDXLOHTTF-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335313;MM335313;CCC(C=C(F)C=O)NC;VYLXVRWNHFELQT-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335314;MM335314;C#CC1(NC)CC(OC)C1;KLVIFMFXHXWNGM-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335315;MM335315;CCC(C=C(F)C#N)NC;TVCDHUCWHMVXNC-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335316;MM335316;C#CC1(OC)CC(CC)C1;LHFHLMFMEQJWSA-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335317;MM335317;C=CC(C)=CC(CC)OC;YJXVCQRFGVSGMA-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335318;MM335318;C#CC1(OC)CC(CN)C1;KERLUUJZHPYOMF-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335319;MM335319;CCC(C=C(C)C=O)OC;XTDCTEOSAFAANW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335320;MM335320;C#CC1(OC)CC(CO)C1;CEYRLXQRYTZIPT-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335321;MM335321;C=CC(C)=CC(CO)OC;NPYIJIOTOHJSSY-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335322;MM335322;C#CC1(OC)CC(CF)C1;URQYHBGYGXJHLU-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335323;MM335323;COC(C=C(C)C=O)CO;FUGLYFNYXQXXCP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335324;MM335324;C#CC1(OC)CC(NC)C1;POBVSGYKAQBZKX-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335325;MM335325;COC(C=C(C)C#N)CO;GJOASVFENFEAQN-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335326;MM335326;C#CC1(OC)CC(OC)C1;QAFWSOYKHFENHM-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335327;MM335327;COC(C=C(F)C#N)CO;JHDTVOUTAGAOBH-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335328;MM335328;C#CC1(CC)CC(CC)N1;IOSUQYBYBYUVBV-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335329;MM335329;C=CC(F)=CC(CF)OC;UUAVIXAMIDRQNB-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335330;MM335330;C#CC1(CC)CC(CN)N1;SAHHTCPOPQWELU-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335331;MM335331;C=CC(C)=CC(OC)OC;LVGDINOARLDVHR-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335332;MM335332;C#CC1(CC)CC(CO)N1;DJLZSSLYABHUDJ-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335333;MM335333;C#CC1(CN)CC(CC)N1;HCPBISHWBDJHCE-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335334;MM335334;C=CC(F)=CC(OC)OC;SIQKFEIDDRJZRV-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335335;MM335335;C#CC1(CN)CC(CN)N1;WBBPZADTSQNUPF-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335336;MM335336;COC(C=C(F)C#N)OC;JZKBBMGVJGJLHG-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335337;MM335337;C#CC1(CN)CC(CO)N1;DWUYPWWETPIUEY-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335338;MM335338;CCN(C=C(C)C=O)CC;VNIDHFVSORYKGD-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335339;MM335339;C#CC1(CN)CC(CF)N1;AEUOVZVPJKHSLB-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335340;MM335340;CCN(C=C(C)C#N)CC;JIYVCZKCNXWJGJ-UHFFFAOYSA-N;138.21;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335341;MM335341;C#CC1(CO)CC(CC)N1;LUVMIKSRHDHQIY-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335342;MM335342;CCN(C=C(F)C=O)CC;DBQGWMLUZOCKAE-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335343;MM335343;C#CC1(CO)CC(CN)N1;AZTBQEVBJRNFRX-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335344;MM335344;CCN(C=C(F)C#N)CC;SKDUQRAYYVVQNK-UHFFFAOYSA-N;142.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335345;MM335345;C#CC1(CO)CC(CO)N1;GZJNIVIMEXZRPM-UHFFFAOYSA-N;141.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335346;MM335346;C=CC(C)=NN(CC)CC;PYCLPUSXJFSLIN-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335347;MM335347;C#CC1(CF)CC(CN)N1;QQCJKIPFYMPOIA-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335348;MM335348;CCN(CC)N=C(C)C=O;UMLJLFCFWZJUTN-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335349;MM335349;C#CC1(CC)CC(CC)O1;CBSVSUXVGNNMMG-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335350;MM335350;CCN(CC)N=C(C)C#N;MWWZUJDKPYLBME-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335351;MM335351;C#CC1(CC)CC(CN)O1;MIYOTCIJVCEOJM-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335352;MM335352;C#CC(C)=CC(CC)CC;SBPJKUQDUATIKX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335353;MM335353;C#CC1(CC)CC(CO)O1;PZHZGOJXGQAPIG-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335354;MM335354;C#CC(C)=CC(CC)CN;CMOKTOBZUHOOEC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335355;MM335355;C#CC1(CC)CC(CF)O1;NGZZYPQJHKSWTE-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335356;MM335356;C#CC(C)=CC(CC)CF;KQBZMSJXRAUMMS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335357;MM335357;C#CC1(CN)CC(CC)O1;JAXJQIDWEIZCPS-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335358;MM335358;C#CC(C)=CC(CN)CF;YASJUHYVHBPOFL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335359;MM335359;C#CC1(CN)CC(CN)O1;ICPNJWAKPCPEJT-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335360;MM335360;C#CC(C)=CC(CO)CO;PAEVWQYOPQFJLH-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335361;MM335361;C#CC1(CN)CC(CO)O1;DIMZPGVJNSXABQ-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335362;MM335362;C#CC(C)=CC(CF)CF;NPXRZCMEXJWWCK-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335363;MM335363;C#CC1(CN)CC(CF)O1;YQPGXRLDMICCIC-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335364;MM335364;C#CC(F)=CC(CC)CC;NMRWUZRQHGJEFO-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335365;MM335365;C#CC1(CO)CC(CC)O1;DLHVRLSYEAQJSY-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335366;MM335366;C#CC(F)=CC(CC)CN;YGBSVJNQPBQCOU-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335367;MM335367;C#CC1(CO)CC(CN)O1;WHYNXCNXABKOSO-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335368;MM335368;C#CC(F)=CC(CC)CF;AKETUJWZCNQXGH-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335369;MM335369;C#CC1(CO)CC(CO)O1;RUJAJUHSMLSLFK-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335370;MM335370;C#CC(F)=CC(CO)CO;NQEYZJHSDCDJID-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335371;MM335371;C#CC1(CO)CC(CF)O1;XTKHPPIJPJVNLW-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335372;MM335372;C#CC(C)=CC(CC)NC;SHTCSEIRNCIKDC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335373;MM335373;C#CC1(CC)CN(CC)C1;FLRYPSPROUKOMH-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335374;MM335374;C#CC(F)=CC(CC)NC;SQRWFBFPIXJPLI-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335376;MM335376;C#CC1(CN)CN(CC)C1;FSDOHXVLRKZZGR-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335375;MM335375;C#CC(F)=CC(CO)NC;IJIIJYYQJXOVBJ-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335377;MM335377;C#CC(C)=CC(CC)OC;JTDUXLFRBHDOQK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335378;MM335378;C#CC1(CC)CC(C=C)C1;BQMAUTVKSRDXNR-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335379;MM335379;C#CC(C)=CC(CO)OC;SDVOUARGMXORTF-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335380;MM335380;C#CC1(CC)CC(C=O)C1;HSCDJQJLVCMTAX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335381;MM335381;C#CC(C)=CC(CF)OC;TWPLIDFFWDASAE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335382;MM335382;C#CC1(CC)CC(C#N)C1;LMEBBGVLFWHBDF-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335383;MM335383;C#CC(F)=CC(CO)OC;MTONXFMNDSPKKH-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335384;MM335384;C#CC1(CN)CC(C=C)C1;VUBNZECNGKYDHS-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335385;MM335385;C#CC(C)=CC(OC)OC;CLEIZOVMDAKBBZ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335386;MM335386;C=CC(C=C)CC1CC1O;WJSKYSQNLLATPB-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335387;MM335387;C#CC(F)=CC(OC)OC;UZMNOBNBAOQMQP-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335388;MM335388;C=CC(C=O)CC1CC1O;MHEREQSVQNGIRS-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335389;MM335389;C#CC(C)=NN(CC)CC;FIQIOBNPMFRWPR-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335390;MM335390;C=CC(=C)CCC1CC1O;WHUPUFFDCDTWRK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335391;MM335391;C=CC(C=C(C)CC)CC;MMBHPSBUMBXOED-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335392;MM335392;C#CC1(CF)CC(C=C)C1;KEGIQMDTVXNQOJ-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335393;MM335393;C=CC(C=C(C)CN)CC;XEHZNWURLXKPHE-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335394;MM335394;C#CC1(CF)CC(C=O)C1;RZQLGFLDUPSTRB-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335395;MM335395;C=CC(C=C(C)CO)CC;GZDUOOLANYBQPX-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335396;MM335396;C#CC1(CF)CC(C#N)C1;SJZDCCKHOZBPQQ-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335397;MM335397;C=CC(C=C(C)CF)CC;JNTLSRPKSIOIKC-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335398;MM335398;C#CC1(NC)CC(C=C)C1;BABGNGFFUIJLCO-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335399;MM335399;CCC(C)=CC(C=O)CC;GBGAWFNXWQRWIG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335400;MM335400;C#CC1(NC)CC(C=O)C1;ZYDGCMHVKIAJOM-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335401;MM335401;CCC(C#N)C=C(C)CF;NKZKXTUCYUUCDC-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335402;MM335402;C#CC1(OC)CC(C=C)C1;WUTKXTBNGPZNBW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335403;MM335403;C=CC(C=C(C)CC)CN;VTPMRFUTGGTGFZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335404;MM335404;C#CC1(OC)CC(C=O)C1;XYCKVBZMOMBGKS-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335405;MM335405;C=CC(C=C(C)CF)CN;QAUHMPWOBMHTRU-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335406;MM335406;C#CC1(OC)CC(C#N)C1;YYECGSUTCZGELO-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335407;MM335407;C#Cc1noc(C#C)c1N;NPEPWPQTULGAAH-UHFFFAOYSA-N;132.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335408;MM335408;C#CC1(CC)CC(C=C)N1;LIUUSSHQTLOZHT-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335409;MM335409;C#CCC#CC1CC1CO;WTTPKIYUSXITQD-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335410;MM335410;C#CC1(CC)CC(C#N)N1;CQOSVBQIJXNYKH-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335411;MM335411;CCC(C)=CC(C=O)CO;AHMYSQZMDQMRID-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335412;MM335412;C#CC1(CN)CC(C=C)N1;BQJFDUVSIBEFIS-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335413;MM335413;CC(=CC(C=O)CO)CF;ZMUKPFKRBIWOKY-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335414;MM335414;C=CC(=O)CCC1CC1O;YISVKUUJDYEIOT-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335415;MM335415;C=CC(C=C(C)CC)CF;QKECEVFZCUIRKI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335416;MM335416;CC1CC(CO)C=C1C#N;CCLUPHYSPCDXHA-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335417;MM335417;C=CC(C=C(C)CN)CF;YPJWPCLBFOYWSA-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335418;MM335418;C#CC1(CC)CC(C=C)O1;DEQAQNFKCBIFCT-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335419;MM335419;C=CC(C=C(C)CO)CF;YWDYGPDFUFGDTK-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335420;MM335420;C=CC(C=C(C)CF)CF;LXXJKWLXGNEPHC-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335421;MM335421;C#CC1(CC)CC(C=O)O1;HUSCYFYETHPTDS-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335422;MM335422;CCC(C)=CC(C=O)CF;LRZDAOCZNKIEKZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335423;MM335423;C#CC1(CC)CC(C#N)O1;RKNRFOGAWBQJIT-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335424;MM335424;CC(=CC(C=O)CF)CO;QIMQHYKTXIYWDK-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335425;MM335425;C#CC1(CN)CC(C=C)O1;MILCGGDQAPERTK-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335426;MM335426;CC(=CC(C=O)CF)CF;VBHFJYFISTUEJT-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335427;MM335427;C#CC1(CO)CC(C=O)O1;VPUFEVUGYJBPME-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335428;MM335428;CC(=CC(C#N)CF)CF;DNFRRWNZTDOSJH-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335429;MM335429;C#CC1(CO)CC(C#N)O1;SOBNAZMPZLKZHF-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335430;MM335430;C=CC(C=C(F)CC)CC;AWRVFOCCANBGDB-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335431;MM335431;C#CC1(CF)CC(C#N)O1;MBDJBDZVEOJGJB-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335432;MM335432;C=CC(C=C(F)CF)CC;KTAQDSIWJFMBBD-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335433;MM335433;C#CC1(CC)CN(C=N)C1;VQDKVLBSENVBNG-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335434;MM335434;CCC(F)=CC(C=O)CC;CSSIGKIWMDALDP-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335435;MM335435;C#CC1(CC)CN(C=O)C1;DRRFHTPPFKRAPA-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335436;MM335436;CCC(F)=CC(C#N)CC;IVBOGBGWGGWPPK-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335437;MM335437;C#CC1(CN)CN(C=N)C1;JIZUYONCWDHHOO-UHFFFAOYSA-N;137.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335438;MM335438;CCC(C=O)C=C(F)CF;PWDKMXNGGQPRRC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335439;MM335439;C#CC1(CN)CN(C=O)C1;PWVOSQNLDSWJLB-UHFFFAOYSA-N;138.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335440;MM335440;C=CC(C=C(F)CC)CN;VAZVRMUYMVWRLT-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335441;MM335441;C#CC1(CO)CN(C=N)C1;BVZFFHALKFMXES-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335442;MM335442;C=CC(C=C(F)CN)CN;IAIBHDVMXAMCFK-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335443;MM335443;C#CC1(CO)CN(C=O)C1;CPFDVFGRKIZASC-UHFFFAOYSA-N;139.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335444;MM335444;C=CC(C=C(F)CF)CN;NIMOQWUZAIHKQG-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335445;MM335445;C#CC1(CF)CN(C=N)C1;WODDILHWSXXLAT-UHFFFAOYSA-N;140.16;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335446;MM335446;CCC(F)=CC(C#N)CO;OHPSDFDUXBFWQM-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335447;MM335447;C#CC1(CF)CN(C=O)C1;LRWLGUZUKGNZCS-UHFFFAOYSA-N;141.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335448;MM335448;N#CC(C=C(F)CO)CO;YCIUPLBYGCKRIN-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335449;MM335449;C#CC1(CC)CN(N=C)C1;VCDDYZIFZLKCKD-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335450;MM335450;O=CC(C=C(F)CF)CO;FVOMIEPCLPONDF-UHFFFAOYSA-N;150.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335451;MM335451;C=CC(C=C(F)CC)CF;ARFLQMGRJBNZEL-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335452;MM335452;C#CC1(CN)CN(N=C)C1;IVNDDQIFLVQQRC-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335453;MM335453;C=CC(C=C(F)CO)CF;LBUUMLQQMAKCHX-UHFFFAOYSA-N;148.15;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335454;MM335454;C#CC(CO)C1CC1CO;KZHWVKGEEWEHTR-UHFFFAOYSA-N;140.18;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335455;MM335455;CCC(F)=CC(C=O)CF;HNYLVYPYMWRKDT-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335456;MM335456;C#CC1(CF)CN(N=C)C1;BSNXMFNTVFDRCT-UHFFFAOYSA-N;140.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335457;MM335457;CCC(F)=CC(C#N)CF;WMABHAXTDIJGBI-UHFFFAOYSA-N;145.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335458;MM335458;C#CC1(NC)CN(C=N)C1;OQCQZSPNLDCBLK-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335459;MM335459;O=CC(C=C(F)CF)CF;IISBDEYMAOYSFX-UHFFFAOYSA-N;152.12;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335460;MM335460;C#CC1(OC)CN(C=N)C1;ZIZCCHKCWJVLDH-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335461;MM335461;N#CC(C=C(F)CF)CF;WYBXEPBZORIBCG-UHFFFAOYSA-N;149.12;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335462;MM335462;C#CC1(OC)CN(C=O)C1;XBEHEJDAPJEMQD-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335463;MM335463;C=CC(C=C(C)OC)CC;BXMDQEZTWLNXFL-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335464;MM335464;C#CC1(OC)CN(N=C)C1;MDFXSYZQRFKMFN-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335465;MM335465;CCC(C=O)C=C(C)OC;SKVWBGQZAZNHBV-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335466;MM335466;C#CC1CC(C#C)(CC)C1;CRQWYXKFQZATBF-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335467;MM335467;CCC(C#N)C=C(C)OC;OCHPOEVXLWIEBI-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335468;MM335468;C#CC1CC(C#C)(CN)C1;PWMAFTAYCBFGDG-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335469;MM335469;C=CC(C=C(C)OC)CN;OSSLDYGJCRXEBI-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335470;MM335470;C#CC(CF)C1CC1CO;WANJOJCPFSZLOG-UHFFFAOYSA-N;142.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335471;MM335471;C=CC(C=C(C)OC)CO;NLQAYEMAIHZZBC-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335472;MM335472;C#CC1CC(C#C)(CF)C1;BSOSSXWIDIKNFI-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335473;MM335473;COC(C)=CC(C=O)CO;RSGNVGFRQGOMHK-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335474;MM335474;C#CC1CC(C#C)(NC)C1;ZKYZCJXOGZPQHD-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335475;MM335475;C=CC(C=C(C)OC)CF;AFKWXMVWOXNWIF-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335476;MM335476;C#CC1CC(C#C)(OC)C1;BFCCJHYGRNNQSM-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335477;MM335477;COC(C)=CC(C=O)CF;AUNHLRYVKQFQTR-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335478;MM335478;C#CC1CC(C#C)(CC)N1;IJNCDBLFPWVKIO-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335479;MM335479;C=CC(C=C(C)CC)NC;FXDOVHUNVZEXPZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335480;MM335480;C#CC1CC(C#C)(CN)N1;YKSVRJKEPHPGCH-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335481;MM335481;CCC(C)=CC(C#N)NC;WRYPXLXHEOTDGI-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335482;MM335482;C=CC(C=C(F)CC)NC;KBZHAYUQTOXCIZ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335483;MM335483;C#CC1CC(C#C)(CC)O1;UXGXUFVSAYUZAN-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335484;MM335484;C#CC(CO)CCC1CC1;BSYHRQLXZOTLBV-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335485;MM335485;C#CC1CC(C#C)(CN)O1;XDEYIBBYHVNQOW-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335486;MM335486;C=CC(C=C(C)OC)NC;PMYJZORPJLZABY-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335487;MM335487;C#CC1CC(C#C)(CO)O1;HPGGYNMAOOSRFB-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335488;MM335488;C=CC(C=C(C)CC)OC;XZHIUCDDGBGQTA-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335489;MM335489;C=CC1(C=C)CC(CC)C1;XWFVQNPVYAPZIP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335490;MM335490;C=CC(C=C(C)CN)OC;LBFYJFXOGYMALF-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335491;MM335491;C=CC1(C=C)CC(CN)C1;UUPMHISJEMTITF-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335492;MM335492;C=CC(C=C(C)CO)OC;OWQGCRAEAKECLQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335493;MM335493;C=C(C#CC)C1CC1CO;ZCBQQSIILQFVME-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335494;MM335494;CCC(C)=CC(C=O)OC;JKFJZELXPMUBBV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335495;MM335495;C=CC1(C=O)CC(CC)C1;DCAOSDPCBQSUBU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335496;MM335496;CCC(C)=CC(C#N)OC;ZERLLNLXRKPBJK-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335497;MM335497;C=CC1(C#N)CC(CC)C1;AVIWCLNPGCMVNO-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335498;MM335498;COC(C#N)C=C(C)CO;GQLJPYGQHIILJX-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335499;MM335499;C=NNC=NN=COCC;BTNNNUZELDYOHM-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335500;MM335500;COC(C#N)C=C(C)CF;RVBNNELLNMBOJE-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335501;MM335501;C#CC1CC(O)C1;VHLPAIGJHUGXCS-UHFFFAOYSA-N;96.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335502;MM335502;C=CC(C=C(F)CC)OC;ZBASCMFANDHRPH-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335503;MM335503;C=CC1(C=O)CC(CF)C1;GSHBZNJFEVDRMX-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335504;MM335504;CCC(F)=CC(C=O)OC;XFCPHYXECJHFNJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335505;MM335505;C=CC1(C#N)CC(CF)C1;AHSSJZQJRAQHPQ-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335506;MM335506;CCC(F)=CC(C#N)OC;YFMDQVDZLWPJOH-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335507;MM335507;CCC1CC(C=O)(C=O)C1;BTWBUYRNCCBLCB-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335508;MM335508;C=CC(C=C(C)OC)OC;YLHZSXPRAQGQKV-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335509;MM335509;CCC1CC(C#N)(C=O)C1;DVHZDSRETJDUDK-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335510;MM335510;COC(C)=CC(C#N)OC;HSAXYBAIJVVILL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335511;MM335511;C#CC(CO)CCC1CO1;ZZXXIAQHMAPDBS-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335512;MM335512;CCC1CC(C#N)(C#N)C1;XSOHAVWYMCGZHP-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335513;MM335513;CCC(C)=CN(C=N)CC;IWXKPGGWUHSZLU-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335514;MM335514;CCC(C)=CC(C)O;MUBMKDCQAOJBFE-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335515;MM335515;CCN(C=N)C=C(C)CO;WHXYWXOSBZYTTH-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335516;MM335516;C#CCC(O)C=CC;TVIKQFWAGIQEQU-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335517;MM335517;CCN(C=N)C=C(C)CF;IGLVNEXAGNEUIB-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335518;MM335518;N#CC1(C#N)CC(CO)C1;LGYHAPPDFQCQKB-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335519;MM335519;CCC(C)=CN(C=O)CC;NHPUOHBESIEIHM-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335520;MM335520;N#CC1(C#N)CC(CF)C1;JIYPILKGPPIOPH-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335521;MM335521;CCN(C=O)C=C(C)CN;QOCHGFJJFWEQBO-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335522;MM335522;C=CC1(C=C)CC(NC)C1;NTAXZOCOZMNHCL-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335523;MM335523;CCC(F)=CN(C=N)CC;ARCUVJVELFCKRK-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335524;MM335524;C=CC1(C=O)CC(NC)C1;UZYXTJLOQFHODA-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335525;MM335525;CCN(C=N)C=C(F)CN;AQDJOHJCKVNQGV-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335526;MM335526;C=CC1(C#N)CC(NC)C1;YOXYOTKRHPUIKY-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335527;MM335527;CCN(C=N)C=C(F)CO;MAODBZYDEGLDCW-UHFFFAOYSA-N;146.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335528;MM335528;CNC1CC(C=O)(C=O)C1;QJRXAVBEFYIJAH-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335529;MM335529;CCC(F)=CN(C=O)CC;KNWCOOXAYCVVFD-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335530;MM335530;CNC1CC(C#N)(C=O)C1;RQPUNZHTQOWTKW-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335531;MM335531;CCN(C=O)C=C(F)CO;NMGZBHJYFHXYPP-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335532;MM335532;C=CC1(C=C)CC(OC)C1;JTOHVARPVJTUOV-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335533;MM335533;CCN(C=O)C=C(F)CF;IDSKLUHBZTYADW-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335534;MM335534;CCN(C=N)C=C(C)OC;JXYQFHJNAUIEHE-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335535;MM335535;C=CC1(C=O)CC(OC)C1;PWEHWDBUYRZDHM-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335536;MM335536;CCN(C=O)C=C(C)OC;ZYJUCRTZBSSWTL-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335537;MM335537;C=CC1(C#N)CC(OC)C1;XXNRZLDCKOGFGD-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335538;MM335538;CNN(C=N)C=C(C)CN;JWWHTPHHUDNDOK-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335539;MM335539;COC1CC(C=O)(C=O)C1;QOBPVBQDALCKBG-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335540;MM335540;CNN(C=O)C=C(C)CN;ARRTZYSXEBEDRB-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335541;MM335541;COC1CC(C#N)(C=O)C1;XCSDOTJAOCUNQF-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335542;MM335542;CC1NCC1=O;ABJONHBXIIAPAF-UHFFFAOYSA-N;85.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335543;MM335543;COC1CC(C#N)(C#N)C1;MFTRHQWCYAHQRQ-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335544;MM335544;C#CC(C)CCO;RRURBGUJFHZKAL-UHFFFAOYSA-N;98.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335545;MM335545;C=CC1(C=C)CC(CC)N1;PUQZDRCOTGKCLX-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335546;MM335546;CNN(C=O)C=C(C)OC;OGQVYLVNEXWDQR-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335547;MM335547;C=CC1(C=C)CC(CN)N1;UFZKNAHWZBYBPY-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335548;MM335548;CCC(C)=CN(C=N)OC;VPMABSINLYOXNM-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335549;MM335549;C=CC1(C=C)CC(CO)N1;CXYFNXXGIGFWIE-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335550;MM335550;CON(C=N)C=C(C)CN;ZBGWDDPLEMIRFK-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335551;MM335551;C=CC1(C#N)CC(CC)N1;UNSLVFUKBIHXPT-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335552;MM335552;CCC(F)=CN(C=O)OC;XZAOJXBFDMGBCY-UHFFFAOYSA-N;147.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335553;MM335553;C#CC1C=CC(O)C1;VCIIAADKAFSWPY-UHFFFAOYSA-N;108.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335554;MM335554;CON(C=O)C=C(F)CF;CMIABKTYWAIKSC-UHFFFAOYSA-N;151.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335555;MM335555;C=CC1(C#N)CC(CF)N1;IIEZHJQFBHPBRK-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335556;MM335556;CCC(C)=NN(C=N)CC;YZRCCWGPKPBKNE-UHFFFAOYSA-N;141.22;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335557;MM335557;CCC(C)=NN(C=O)CC;OYPUDVPBQBGXEW-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335558;MM335558;CCC1CC(C#N)(C=O)N1;IHQILPLPJORHPG-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335559;MM335559;CCN(C=O)N=C(C)CF;RBSUQEUDSNVFLZ-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335560;MM335560;CCC1CC(C#N)(C#N)N1;DXDZEWKHRNUHNL-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335561;MM335561;CCN(C=O)N=C(C)OC;LDGRADIOZFEDQD-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335562;MM335562;C=Cc1ccc(N)[nH]1;ICKOCGKOXXYZNQ-UHFFFAOYSA-N;108.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335563;MM335563;C=CC(C)=CC(C=C)CC;JMSVSENHPQVBIL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335564;MM335564;N=C1NC=C(F)C1=O;GDKZETBVVVESRN-UHFFFAOYSA-N;114.08;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335565;MM335565;C=CC(C=C(C)C=O)CC;KBEMMGQOZUBIIX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335566;MM335566;CCCC(C)=CC(C)O;VFLUNZBNMJPSEH-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335567;MM335567;C=CC(C=C(C)C#N)CC;MTRORLPZEFDBHW-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335568;MM335568;O=CC1(C=O)CC(CF)N1;AQSXAQWYTWYMSL-UHFFFAOYSA-N;145.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335569;MM335569;C=CC(C)=CC(C=O)CC;SYDBNGOVVNGQGA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335570;MM335570;N#CC1(C=O)CC(CF)N1;MDJPKPLJKKAWCV-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335571;MM335571;C=CC(C)=CC(C#N)CC;VORQRFUSLDUWAJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335572;MM335572;N#CC1(C#N)CC(CF)N1;AHBQDTRUTZMVDH-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335573;MM335573;CCC(C=O)C=C(C)C=O;LVNYUAQSUGIYBS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335574;MM335574;C=CC1(C=C)CC(CC)O1;SHBLLNJMWWNQMX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335575;MM335575;CCC(C#N)C=C(C)C=O;HDORXZJLDZPFBT-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335576;MM335576;C=CC1(C=C)CC(CN)O1;GJYGAKMDWNRSFU-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335577;MM335577;CCC(C=O)C=C(C)C#N;QAWNEQFYAATHHS-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335578;MM335578;CCC(C#N)C=C(C)C#N;GXIFPIOKHYJNAL-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335579;MM335579;C=CC1(C=O)CC(CC)O1;HPDFFSKDSIBDML-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335580;MM335580;C=CC(C)=CC(C=C)CN;GYXUTQUZPZIMRP-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335581;MM335581;C=CC1(C#N)CC(CC)O1;KISWGCZTBWIJJL-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335582;MM335582;CCCC(C)C(N)=O;NTLKAXQBFYZMAH-UHFFFAOYSA-N;115.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335583;MM335583;C=CC1(C=O)CC(CF)O1;ZFIKUUVDGMUMOE-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335584;MM335584;CCC(CC)C(N)=O;QVEMWYGBLHQEAK-UHFFFAOYSA-N;115.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335585;MM335585;C=CC1(C#N)CC(CF)O1;FCVJNQMVHOBNNH-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335586;MM335586;C=C(C)CCCC(N)=O;XFNPYMJUUQUMGG-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335587;MM335587;CCC1CC(C=O)(C=O)O1;LHXIAYXSGIMTTI-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335588;MM335588;C=CC(C)=CC(C#N)CO;IIGXLQDBXIUFFM-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335589;MM335589;CCC1CC(C#N)(C=O)O1;WGIUPZQJNIGKPD-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335590;MM335590;CC(C=O)=CC(C#N)CO;KAGXSMWSXNYJGE-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335591;MM335591;CCC1CC(C#N)(C#N)O1;SXJCVMIWSSVAAZ-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335592;MM335592;CC(C#N)=CC(C#N)CO;HDYDCWRPCLUIJQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335593;MM335593;N#CC1(C#N)CC(CO)O1;MRKOSJFGURIADR-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335594;MM335594;C=CC(C)=CC(C=C)CF;RVWRSVNBIHDHAL-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335595;MM335595;N#CC1(C#N)CC(CF)O1;KZIFCBFAKFUKDR-UHFFFAOYSA-N;140.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335596;MM335596;C=CC(C=C(C)C=O)CF;JFLAIISJHNQEHA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335597;MM335597;C=CC1(C=C)CN(CC)C1;SQERZAIFFYZEAX-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335598;MM335598;C=CC(C)=CC(C=O)CF;LDDVQHWFJFDKRH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335599;MM335599;CC(C=O)=CC(C#N)CF;FOEKXCUTZLFRCA-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335600;MM335600;C=CC1(C#N)CN(CC)C1;WCQZUDZDLVYGMR-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335601;MM335601;C=CC(F)=CC(C=C)CC;DWDRDNFRNBTENR-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335602;MM335602;CCN1CC(C#N)(C#N)C1;ZKAQGGBVNGWDNZ-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335603;MM335603;C=CC(C=C(F)C=O)CC;GBACVCDUQCHTCT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335604;MM335604;C=CC1CC(C=C)(C=C)C1;OZACPLRNPQCXNY-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335605;MM335605;CCC(C=O)C=C(F)C=O;GAZGSUWJKIMSBU-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335606;MM335606;C=CC1(C=C)CC(C=O)C1;AYKDIBFXZZTLBS-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335607;MM335607;C=CC(F)=CC(C=C)CO;XUCFQBBSDWYNEG-UHFFFAOYSA-N;142.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335608;MM335608;C=CC1(C=C)CC(C#N)C1;IAKLZBRMMFFTGG-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335609;MM335609;C=CC(C=C(F)C#N)CO;GGMFYFADLJBXSW-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335610;MM335610;C=CC1CC(C=C)(C=O)C1;WGRQUCLNMZJSHO-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335611;MM335611;C=CC(F)=CC(C#N)CO;YPZMFAWBMXJIAC-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335612;MM335612;C=CC1CC(C#N)(C=C)C1;FURDDCGMKOBGGF-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335613;MM335613;C=CC(F)=CC(C=C)CF;FDTBLWAUSGIEKB-UHFFFAOYSA-N;144.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335614;MM335614;C=CC1(C=O)CC(C=O)C1;XJOODSZZLWSCMZ-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335615;MM335615;C=CC(C=C(F)C=O)CF;APMYBXFSVPAVHB-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335616;MM335616;C=CC1(C=O)CC(C#N)C1;NVTMDNYYQFJIJJ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335617;MM335617;C=CC(C=C(F)C#N)CF;QUQDLYIVIDECBO-UHFFFAOYSA-N;143.14;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335618;MM335618;C=CC1(C#N)CC(C=O)C1;VFSSNDDMMSHIKP-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335619;MM335619;C=CC(F)=CC(C=O)CF;TZWHYKXFQWARMQ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335620;MM335620;C=CC1(C#N)CC(C#N)C1;ZNIZTROJEATEMY-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335621;MM335621;N#CC(C=C(F)C=O)CF;IFVUORQJKQGQHA-UHFFFAOYSA-N;145.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335622;MM335622;CNC(C#N)C=C(C)C=O;HWGAEIJEVTXXRH-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335623;MM335623;C=CC1CC(C=O)(C=O)C1;GGBDOEBNISYPQY-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335624;MM335624;CNC(C#N)C=C(F)C#N;GBUPGWDAXUYZFV-UHFFFAOYSA-N;139.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335625;MM335625;C=CC1CC(C#N)(C=O)C1;NVSKHUPDNRSMKB-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335626;MM335626;C=CC(C)=CC(C=C)OC;RRFUKEAZAIHUTM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335627;MM335627;C=CC1CC(C#N)(C#N)C1;LXYAYIICDGTTEQ-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335628;MM335628;C=CC(C=C(C)C#N)OC;UIUSERNUADXQOF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335629;MM335629;N#CC1CC(C=O)(C=O)C1;WCWMPMXTDLBTMV-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335630;MM335630;C=CC(C)=CC(C#N)OC;RLKNUCRTCOEADJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335631;MM335631;N#CC1(C=O)CC(C=O)C1;WJVWPYSXHKBHKV-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335632;MM335632;COC(C=O)C=C(C)C#N;PHQDQXZYEQDLNS-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335633;MM335633;N#CC1CC(C#N)(C=O)C1;IJVLHLDBRVWDLN-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335634;MM335634;COC(C#N)C=C(C)C#N;JECDTIUMWRDXEI-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335635;MM335635;N#CC1(C#N)CC(C=O)C1;VLFWQEFRLUIYII-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335636;MM335636;C=CC(F)=CC(C=C)OC;AGWOJDSULFHLJA-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335637;MM335637;N#CC1CC(C#N)(C#N)C1;DAZSGZVRNLFLNP-UHFFFAOYSA-N;131.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335638;MM335638;C=CC(C=C(F)C=O)OC;ZOXRYIGEXYZCID-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335639;MM335639;C=CC1CC(C=C)(C=C)N1;HWONECAUFURKRZ-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335640;MM335640;C=CC(F)=CC(C=O)OC;QMPOGQBGZKMPAA-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335641;MM335641;COC(C=O)C=C(F)C=O;UPIGZXBUEYZHQG-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335642;MM335642;C=CC1(C=C)CC(C#N)N1;ROJNDLCUTFQALO-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335643;MM335643;COC(C=O)C=C(F)C#N;PABLORUAJXTVKT-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335644;MM335644;C=CC1CC(C#N)(C=C)N1;AJZKWEQNLQXWPD-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335645;MM335645;COC(C#N)C=C(F)C#N;JALJEFYSEINUBH-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335646;MM335646;C=CC1(C=O)CC(C#N)N1;ZLYYYZPUEWTMTK-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335647;MM335647;C=CC(C)=CN(C=N)CC;PBQDEBHRFQMAQK-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335648;MM335648;CC(=CC(C)O)CCF;KIJSXVWPOGVARG-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335649;MM335649;C=CC(C)=CN(C=O)CC;FZEQFOAPJMISHY-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335650;MM335650;C=CC1(C#N)CC(C#N)N1;DFZHYEGFENMKKP-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335651;MM335651;CCN(C=O)C=C(C)C#N;LEMQOACPILWJNA-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335652;MM335652;C=CC1CC(C=O)(C=O)N1;KYRKTXIGKVLTPT-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335653;MM335653;C=CC(F)=CN(C=N)CC;VKLOQLMNBMLUCF-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335654;MM335654;C=CC1CC(C#N)(C=O)N1;VPYWDRKTEPGWES-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335655;MM335655;CCN(C=N)C=C(F)C=O;QVULWVRUPXOVMR-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335656;MM335656;C=CC1CC(C#N)(C#N)N1;HFSXZCSZMAPDFA-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335657;MM335657;C=CC(F)=CN(C=O)CC;NZPYEEQUCAJDQD-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335658;MM335658;C=CC#CC(C)(C)CO;OGMYCVPVYAUQQC-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335659;MM335659;CCN(C=O)C=C(F)C#N;NCDXCVYSVGKTAF-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335660;MM335660;C=NOCC(=O)C(=N)N;IAUYTKRDVBYMMD-UHFFFAOYSA-N;129.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335661;MM335661;C=NN(C=C(F)C=O)CC;LAEMULLKXDLHPX-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335662;MM335662;N#CC1CC(C#N)(C=O)N1;ZRUVUEWQXLKMPX-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335663;MM335663;C=NN(C=C(F)C#N)CC;LSWOMMCSLLVYNL-UHFFFAOYSA-N;141.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335664;MM335664;CNN(C=N)C=C(C)C#N;BAIHJIJWQUHOJA-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335665;MM335665;C=CC(=C)C(=C)CCO;VRMLFSWNVQXEID-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335666;MM335666;C=CC(C)=CN(C=O)NC;BQYDMLOPPHIBQC-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335667;MM335667;N#CC1CC(C#N)(C#N)N1;HHCMJZNQSGOKJR-UHFFFAOYSA-N;132.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335668;MM335668;C=CC(F)=CN(C=O)NC;CZUCGKLWCFIBAF-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335669;MM335669;C=CC1CC(C=C)(C=C)O1;LVMRFKMXNIVNMY-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335670;MM335670;CON(C=O)C=C(C)C=O;VUJHJBGUBZAPMU-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335671;MM335671;C=CC1(C=C)CC(C=O)O1;FMJBVBVJZRVSJE-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335672;MM335672;CON(C=O)C=C(F)C#N;CCIFHHDDBCAWJU-UHFFFAOYSA-N;144.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335673;MM335673;C=CC1(C=C)CC(C#N)O1;UXMUBNMVPYGQFZ-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335674;MM335674;C#CC(C)=CC(C=C)CC;MNQCVPCDOQFQEQ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335675;MM335675;C=CC1CC(C=C)(C=O)O1;LUTZNKHTOHHXAJ-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335676;MM335676;C#CC(C)=CC(C=O)CC;DZOROYPDCLCAPP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335677;MM335677;C=CC1CC(C#N)(C=C)O1;QWVBQVQQZMBVHT-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335678;MM335678;C#CC(C)=CC(C#N)CC;LBJHNBUWXOLIER-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335679;MM335679;C=CC1(C=O)CC(C=O)O1;ZGINIMPKUDZBJC-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335680;MM335680;C#CC(C)=CC(C=C)CN;QNXAFLXBXYKNEJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335681;MM335681;C=CC1(C=O)CC(C#N)O1;AFNRIRYUGDZRJX-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335682;MM335682;CC(=CC(N)=O)C(C)C;HISWSGBJMWZESA-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335683;MM335683;C=CC1(C#N)CC(C=O)O1;DVWBINAGOAFDAG-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335684;MM335684;C#CC(C)=CC(C=C)CF;FEGPILSMQCZSKU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335685;MM335685;C=CC1(C#N)CC(C#N)O1;YTTXSBBYTDHIAD-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335686;MM335686;C#CC(C)=CC(C=O)CF;FDGFBICHDSKYEX-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335687;MM335687;C#CC(F)=CC(C=O)CF;CYYZMTGLJBRRPG-UHFFFAOYSA-N;144.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335688;MM335688;C=CC1CC(C=O)(C=O)O1;XZSAQFUESSJJKJ-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335689;MM335689;C#CC(F)=CC(C#N)CF;BRESRXPBHFKNJT-UHFFFAOYSA-N;141.12;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335690;MM335690;C=CC1CC(C#N)(C=O)O1;IJTZGAFOOJEJIO-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335691;MM335691;C#CC(C)=CC(C=C)NC;AQHDNGNLIKFAGC-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335692;MM335692;C=CC1CC(C#N)(C#N)O1;YSCOHOPYABINJX-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335693;MM335693;C#CC(F)=CC(C#N)NC;QOGHJYZYSNALDV-UHFFFAOYSA-N;138.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335694;MM335694;N#CC1(C=O)CC(C=O)O1;LLFZWVMYPJZUFA-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335695;MM335695;C#CC(C)=CC(C=C)OC;SUCVHLLSWYLKDP-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335696;MM335696;N#CC1CC(C#N)(C=O)O1;DZKYQFDDKWMNRI-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335697;MM335697;C#CC(C)=CC(C#N)OC;MIUIKNILAGEWLF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335698;MM335698;N#CC1(C#N)CC(C=O)O1;DDCPXTTVBMMQRN-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335699;MM335699;C#CC(F)=CC(C=O)OC;KAFFQDKHSVAANF-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335700;MM335700;N#CC1CC(C#N)(C#N)O1;NZRSKSCWGCXKJH-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335701;MM335701;C#CC(F)=CC(C#N)OC;SXEMVKACUZVWFD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335702;MM335702;C=CC1(C=C)CN(C=N)C1;DNTKGOINTGLUHV-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335703;MM335703;C#CC(C)=CN(C=N)CC;HAIJAFFZMJLUOS-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335704;MM335704;C=CC1(C=C)CN(C=O)C1;ACKLULGOUDTAFV-UHFFFAOYSA-N;137.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335705;MM335705;C#CC(C)=CN(C=O)CC;QEUTUZQJOXHVQI-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335706;MM335706;C=CC1(C=O)CN(C=N)C1;XNQUXWVZFSZEDZ-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335707;MM335707;C#CC(F)=CN(C=N)CC;QONITWPPHBGOBM-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335708;MM335708;C=CC1(C#N)CN(C=N)C1;GFNCEKKTBCYAFA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335709;MM335709;C#CC(F)=CN(C=O)CC;KSUMBTPPNHHCJR-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335710;MM335710;C#CC(C)=CN(C=N)NC;XUWUUZWGRDBTFV-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335711;MM335711;C=CC1(C=O)CN(C=O)C1;IBLVKELZLRWGRF-UHFFFAOYSA-N;139.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335712;MM335712;C#CC(C)=CN(C=O)NC;UKVSDDPADIPQGQ-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335713;MM335713;C=CC1(C#N)CN(C=O)C1;AQSYSHMSZKBASM-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335714;MM335714;C#CC(F)=CN(C=O)NC;CZHHDOAHTMWPKJ-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335715;MM335715;N=CN1CC(C=O)(C=O)C1;WKJQWYVQJDZDGX-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335716;MM335716;C#CC(F)=CN(C=O)OC;ASWNGEHUYCCIRE-UHFFFAOYSA-N;143.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335717;MM335717;N#CC1(C=O)CN(C=N)C1;RIXAQZNDGGIBEY-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335718;MM335718;C#CC(C)=NN(C=O)CC;SPXRVGUBEDRPJW-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335719;MM335719;N#CC1(C#N)CN(C=N)C1;UXFOQPSPRAZXDT-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335720;MM335720;C#CC(C=C(C)CC)CC;IUIXDVHTICQJFG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335721;MM335721;O=CN1CC(C=O)(C=O)C1;QFNFEPLRMAIOKX-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335722;MM335722;C#CC(C=C(C)CN)CC;ZKMSHYDQDKHQMI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335723;MM335723;N#CC1(C=O)CN(C=O)C1;RIDNGGKTSSMPQN-UHFFFAOYSA-N;138.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335724;MM335724;CCCC(C)=CC(N)=O;LDSQZVGQWZYTCM-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335725;MM335725;N#CC1(C#N)CN(C=O)C1;JZUSZLHWCLSYKJ-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335726;MM335726;C#CC(C=C(C)CC)CF;CJSLVPDHFUORSN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335727;MM335727;C=CC1(C=C)CN(N=C)C1;OKTKCPRLPSPQCT-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335728;MM335728;C#CC(C=C(C)CF)CF;IUXGYCCTJWZLLH-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335729;MM335729;C=CC1(C=O)CN(N=C)C1;VZJRPPLVNOPAFC-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335730;MM335730;C#CC(C=C(F)CC)CC;FXPALQINJANFEQ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335731;MM335731;C=CC1(C#N)CN(N=C)C1;QPEOXTDLCBVTJA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335732;MM335732;C#CC(C=C(F)CF)CC;XEANBMJFJZYNDB-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335733;MM335733;C=NN1CC(C=O)(C=O)C1;FVFVMYSPECQKJS-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335734;MM335734;C#CC(C=C(F)CC)CF;PRLMDPHQJVADGL-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335735;MM335735;C=NN1CC(C#N)(C=O)C1;JICFQCSFNWLXDG-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335736;MM335736;C#CC(C=C(F)CF)CF;LNXMKGWPFCYBNX-UHFFFAOYSA-N;148.13;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335737;MM335737;C=NN1CC(C#N)(C#N)C1;IOSFDHKDSLGJJG-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335738;MM335738;C#CC(C=C(C)OC)CC;JUYINGPFWCVXJO-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335739;MM335739;C#CC1CC(C=C)(C=C)C1;WCKFMKMIHCSOSN-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335740;MM335740;C#CC(C=C(C)OC)CF;GWTWTUMRLKIWRP-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335741;MM335741;C#CC1CC(C=C)(C=O)C1;KJLJQAXIZGBPHB-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335742;MM335742;C#CC(C=C(C)CC)OC;DOIZWDVWYGPERK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335743;MM335743;C#CC1CC(C#N)(C=C)C1;ILCKCQUYWVMWJJ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335744;MM335744;C#CC(C=C(F)CC)OC;XBQQQMQGFUFGFY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335745;MM335745;CC(C#N)CC(C)CO;FJYCSHWNPWZKPT-UHFFFAOYSA-N;127.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335746;MM335746;C#CC1CC(C=O)(C=O)C1;IBCQMUZQNYTAKA-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335747;MM335747;C#CC(C=C(C)C=C)CC;RKLVYWNCTYALRO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335748;MM335748;C#CC1CC(C#N)(C=O)C1;LCHPYIBGNONBMW-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335749;MM335749;C#CC(C=C(C)C=O)CC;PYVWHTWOCBZBHS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335750;MM335750;C#CC1CC(C#N)(C#N)C1;FQHFQBPHQHNYHH-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335751;MM335751;C#CC(C=C(C)C#N)CC;MXDGVNGHJYHMAX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335752;MM335752;C#CC1CC(C#N)(C=C)N1;YJQVJSSFQHBAMQ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335753;MM335753;C#CC(C=C(C)C=C)CF;DCPHEBUYDHSXCE-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335754;MM335754;C#CC1CC(C=O)(C=O)N1;FYCFTCQXWLPBAM-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335755;MM335755;C#CC(C=C(C)C=O)CF;ZNYRSSOAVOHOCF-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335756;MM335756;C#CC1CC(C#N)(C=O)N1;SKBDWPVMIBCVGX-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335757;MM335757;C#CC(C=C(F)C=C)CC;VSKMGOSNTWNFBM-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335758;MM335758;C#CC1CC(C#N)(C#N)N1;TUEXWRHRGJMIHF-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335759;MM335759;C#CC(C=C(F)C=O)CC;NMFOPFICUCCEEJ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335760;MM335760;C#CC1CC(C=C)(C=C)O1;WORMFHXNOBRBPL-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335761;MM335761;C#CC(C=C(F)C=C)CF;IEPPIJKCHHGMTE-UHFFFAOYSA-N;142.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335762;MM335762;C#CC1CC(C=C)(C=O)O1;QKTOPJKZACRPSV-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335763;MM335763;C#CC(C=C(F)C=O)CF;SXGXRYQKQPMFGG-UHFFFAOYSA-N;144.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335764;MM335764;C#CC1CC(C#N)(C=C)O1;OJTVBQVRFOHAPD-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335765;MM335765;C#CC(C=C(C)C=C)OC;PZRIDUWKROVXHT-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335766;MM335766;C#CC1CC(C=O)(C=O)O1;WOPZAWDPXXFALK-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335767;MM335767;C#CC(C=C(C)C=O)OC;YXSCWMOGMDSCNZ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335768;MM335768;C#CC1CC(C#N)(C=O)O1;CCYKXYQZRLVSMS-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335769;MM335769;C#CC(C=C(C)C#N)OC;ISCCGBZKYPUJJL-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335770;MM335770;C#CC1CC(C#N)(C#N)O1;HYTJROPZECYTCK-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335771;MM335771;C#CC(C)=CC(C#C)CC;IYTKKZSZYADTGV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335772;MM335772;C#CC1(C=C)CC(CC)C1;MBSXOKLDOXTOGF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335773;MM335773;C#CC(C)=CC(C#C)CF;MKZAEMOTHXPXIP-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335774;MM335774;C#CC1(C=C)CC(CN)C1;VUXQZAIXBBLXGV-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335775;MM335775;C#CC(F)=CC(C#C)CC;XCUUEOCDYDTYSA-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335776;MM335776;C=CC=C(C=C)CCO;FKOHYSYIZGWQPC-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335777;MM335777;C#CC(F)=CC(C#C)CF;GKBHENRGNFLWKN-UHFFFAOYSA-N;140.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335778;MM335778;C#CC1(C=C)CC(CF)C1;PWGDJEAZPGOXDK-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335779;MM335779;C#CC(C)=CC(C#C)NC;MXRHRIBNRPCMRZ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335780;MM335780;C#CC1(C=O)CC(CC)C1;YSUBKYKLCMNBAE-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335781;MM335781;C#CC(C)=CC(C#C)OC;UFYJODHPWMEONG-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335782;MM335782;C#CC1(C#N)CC(CC)C1;HBUIDBQIXLYQEC-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335783;MM335783;C#CC(F)=CC(C#C)OC;NMSQAOIFHBCCAT-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335784;MM335784;C=CC(=CC=O)CCO;XCXSKLUVIACSFY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335785;MM335785;C=CC(C=C)C=C(C)CC;GBKHIJYPCNJFFR-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335786;MM335786;C#CC1(C#N)CC(CO)C1;WHMKPYLLODUUCE-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335787;MM335787;C=CC(C=C)C=C(C)CN;JOYUYBWEFBVPJB-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335788;MM335788;C#CC1(C=O)CC(CF)C1;DMJRAKSCBVRFOK-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335789;MM335789;C=CC(C=C)C=C(C)CO;VHZUZHQADFQMCC-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335790;MM335790;C#CC1(C=C)CC(NC)C1;INZAAVPWALPOOC-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335791;MM335791;C=CC(C=C)C=C(C)CF;UQDIWBGFJSTQQY-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335792;MM335792;C#CC1(C=O)CC(NC)C1;VCCJIIBDDSQKQE-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335793;MM335793;C=CC(C=O)C=C(C)CC;XNSBUMMTEVOKHI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335794;MM335794;C#CC1(C#N)CC(NC)C1;QHGZHEDJSSNRPE-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335795;MM335795;C=CC(C#N)C=C(C)CC;FWVXUTUQSVYRFK-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335796;MM335796;C#CC1(C=C)CC(OC)C1;CQXUTBZWJYQHFF-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335797;MM335797;C=CC(C=O)C=C(C)CO;KRCXREXFNHVHGR-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335798;MM335798;C#CC1(C=O)CC(OC)C1;ZYATUBWCBCQQBY-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335799;MM335799;C=CC(C#N)C=C(C)CO;CGAIYMZMWMOLKM-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335800;MM335800;C#CC1(C#N)CC(OC)C1;ZYCQGRJCHAVBLM-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335801;MM335801;C=CC(C#N)C=C(C)CF;XFGZKZGBGASWTQ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335802;MM335802;C#CC1(C=C)CC(CC)N1;RPMIBTQXJKGNBU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335803;MM335803;CCC(C)=CC(C#N)C#N;SQGIVKXOLGCLOG-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335804;MM335804;C#CC1(C=C)CC(CN)N1;YKLOCZGTCMVOTQ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335805;MM335805;CC(=CC(C#N)C#N)CF;ICXKUERZRUWYPO-UHFFFAOYSA-N;138.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335806;MM335806;C#CC1(C#N)CC(CC)N1;YBDRWUBWDUNHBC-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335807;MM335807;C=CC(C=C)C=C(F)CC;AVDUGTDBJWYTRW-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335808;MM335808;C=CC1=CC(O)C(=C)C1;ITFTXGSFEZKLSM-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335809;MM335809;C=CC(C=C)C=C(F)CF;GQKNODWJWKAVOV-UHFFFAOYSA-N;144.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335810;MM335810;C#CC1(C=O)CC(CF)N1;CAPNTYKNKCINDN-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335811;MM335811;C=CC(C=O)C=C(F)CC;DKAPSWHLXPLRPY-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335812;MM335812;C#CC1(C#N)CC(CF)N1;ZIMLGVPZGQCOBU-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335813;MM335813;C=CC(C#N)C=C(F)CC;CMWQZWCMCOJOLT-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335814;MM335814;CCC(F)=CC(C#N)C#N;GUDBRPNSEPHYRH-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335815;MM335815;C#CC1(C=C)CC(CC)O1;HKWQYCWJFCBQBP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335816;MM335816;C=CC(C=C)C=C(C)OC;DRRTUPRSEGLESL-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335817;MM335817;C#CC1(C=C)CC(CN)O1;HUIFDYKQAJBMDH-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335818;MM335818;C=CC(C=O)C=C(C)OC;LVOFMRCWCSVKIF-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335819;MM335819;C#CC1(C=C)CC(CO)O1;ZJQKEPVJJPLDPF-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335820;MM335820;C=CC(C#N)C=C(C)OC;RSPRWRKANBNSBX-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335821;MM335821;C#CC1(C=C)CC(CF)O1;UUUDCPPUWIVLEG-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335822;MM335822;COC(C)=CC(C#N)C#N;NVCQFWAPRXPQLC-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335823;MM335823;C#CC1(C=O)CC(CC)O1;LEOBSEAXNPGMGN-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335824;MM335824;C=CN(C=N)C=C(C)CC;AQBWFSQMCQXCIE-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335825;MM335825;C#CC1(C#N)CC(CC)O1;GJKZBGLFFGJHCS-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335826;MM335826;C=CN(C=N)C=C(C)CO;HBUXLSDHNXJROD-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335827;MM335827;C#CC1(C=O)CC(CO)O1;PNMOFILXWOJHEQ-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335828;MM335828;C=CN(C=O)C=C(C)CC;OBPTVDRCPVOZMI-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335829;MM335829;C#CC1(C#N)CC(CO)O1;PRKIRGIHARPGOG-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335830;MM335830;C=CN(C=O)C=C(C)CO;TYZOOFWPYRGINM-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335831;MM335831;C#CC1(C#N)CN(CC)C1;DDCQTDMHMVOQHT-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335832;MM335832;CC(=CN(C=N)C=N)CN;QZAZKTFQYKSQQG-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335833;MM335833;C#CC1(C=C)CC(C=C)C1;UASMHVKIUJNWQD-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335834;MM335834;CC(=CN(C=N)C=N)CO;WAFWFRZDFLGHFZ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335835;MM335835;C#CC1(C=C)CC(C=O)C1;DCNCHXYUWUPCHR-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335836;MM335836;CC(=CN(C=N)C=O)CN;WZWFPSANUUMZOH-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335837;MM335837;C#CC1(C=C)CC(C#N)C1;NCJDKHINOTXIKZ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335838;MM335838;CC(=CN(C=O)C=O)CN;WTUNQWZGUUOJSX-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335839;MM335839;C#CC1(C=O)CC(C=C)C1;UMIHPFOSOOSDSF-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335840;MM335840;CC(=CN(C=O)C=O)CO;FZFGDTSJHSHORQ-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335841;MM335841;C#CC1(C#N)CC(C=C)C1;OPYYKQJLJYXYAE-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335842;MM335842;C=CN(C=N)C=C(F)CC;WDVDNHBHPKPKJY-UHFFFAOYSA-N;142.18;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335843;MM335843;C#CC1(C=O)CC(C=O)C1;JDPWMRBKTXELKY-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335844;MM335844;C=CN(C=O)C=C(F)CC;GCEFFOXMQOSLRP-UHFFFAOYSA-N;143.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335845;MM335845;C#CC1(C=O)CC(C#N)C1;RJVYTBMHESOTDB-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335846;MM335846;C=CN(C=O)C=C(F)CF;IRDANTIZIUJARK-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335847;MM335847;C#CC1(C#N)CC(C=O)C1;RPTLWAOFNGJKGX-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335848;MM335848;C=CC(C)CCC(N)=O;RFFMWBCSPZPULD-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335849;MM335849;C#CC1(C#N)CC(C#N)C1;OJYLTDFJTUDVDS-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335850;MM335850;O=CN(C=O)C=C(F)CO;CYVPSQXAZSMCJA-UHFFFAOYSA-N;147.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335851;MM335851;C#CC1(C=C)CC(C#N)N1;DSAJVVYCQNRIRG-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335852;MM335852;C=CN(C=N)C=C(C)OC;ANYMUKWBXCGWLY-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335853;MM335853;C#CC1(C#N)CC(C=C)N1;UYFNWTQOCQXPAH-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335854;MM335854;C=CN(C=O)C=C(C)OC;JYNRQPDPICVCJT-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335855;MM335855;N=C1NC(C=O)=CC1=O;NOTRVBHTBFWXEN-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335856;MM335856;COC(C)=CN(C=N)C=O;OEOFQYBFSFEALU-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335857;MM335857;C#CC1(C=O)CC(C#N)N1;PRRNNVYYZIUJDH-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335858;MM335858;C=NN(C=O)C=C(C)CC;NLYPJHPXVDCKAY-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335859;MM335859;C=COc1c[nH]c(N)c1;UWQXHIKLSFDNNK-UHFFFAOYSA-N;124.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335860;MM335860;C=NN(C=N)C=C(F)CF;IOWZEFVUFZKDOW-UHFFFAOYSA-N;147.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335861;MM335861;C#CC1(C#N)CC(C#N)N1;IQQNCAVYEUMPNS-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335862;MM335862;CCC(=CC(N)=O)CC;UVRCNEIYXSRHNT-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335863;MM335863;C#CC1(C=C)CC(C=C)O1;QALTXADFNIYYJW-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335864;MM335864;C=NN(C=O)C=C(C)OC;DHTYBZVUIOAZOA-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335865;MM335865;C#CC1(C=C)CC(C=O)O1;NXXUORYUFMJXCA-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335866;MM335866;C=CN(C=N)N=C(C)CC;SBZDDDKWQFFJCQ-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335867;MM335867;C#CC1(C=C)CC(C#N)O1;JKUNMHZCFLUAAP-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335868;MM335868;C=CCCCCC(N)=O;IWWBBUVEYAVHKB-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335869;MM335869;C#CC1(C=O)CC(C=C)O1;QNHPGVQFKIGQFE-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335870;MM335870;CC(CO)=NN(C=O)C=O;LMOPKPWQAQUGLZ-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335871;MM335871;C#CC1(C#N)CC(C=C)O1;LPKXKKKXHSHYTH-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335872;MM335872;C=CC(C)=CC(C=C)C=C;QDFBWLAWHLNHRP-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335873;MM335873;C#CC1(C=O)CC(C=O)O1;OBABUOCNBURLGD-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335874;MM335874;C=CC(C=C)C=C(C)C=O;CVXGLYONXTXZJS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335875;MM335875;C=CC(C=C)C=C(C)C#N;AUAVTTIZWGBFCL-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335876;MM335876;C#CC1(C=O)CC(C#N)O1;ZFUMYOYHHVGNQI-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335877;MM335877;C=CC(C)=CC(C=C)C=O;VDYUTEJGEZEQEM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335878;MM335878;C#CC1(C#N)CC(C=O)O1;XVWSDKLDMXSUBQ-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335879;MM335879;C=CC(C)=CC(C#N)C=C;ADVRWNQPTJQLAI-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335880;MM335880;C#CC1(C#N)CC(C#N)O1;FAHOQYWRWCRIEF-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335881;MM335881;C=CC(C=O)C=C(C)C=O;VWZYCKPWPABDIC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335882;MM335882;C#CC1(C=C)CN(C=N)C1;VFAVAXUULNDXGD-UHFFFAOYSA-N;134.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335883;MM335883;C=CC(C=O)C=C(C)C#N;XDGKBSLCKWBMQG-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335884;MM335884;C#CC1(C=C)CN(C=O)C1;YKRZDDNFIOZRGU-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335885;MM335885;C=CC(C#N)C=C(C)C=O;PHRFOCGWJVNDTI-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335886;MM335886;C#CC1(C=O)CN(C=N)C1;FGOZPZIOHGVSHO-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335887;MM335887;C=CC(C#N)C=C(C)C#N;AIDKLGFCEGBARP-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335888;MM335888;C#CC1(C#N)CN(C=N)C1;RUKIPMZTWWLZDZ-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335889;MM335889;C=CC(C)=CC(C=O)C=O;YQOPCXALJXQSBH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335890;MM335890;C#CC1(C=O)CN(C=O)C1;USHAPQXFVSBVPU-UHFFFAOYSA-N;137.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335891;MM335891;C=CC(C)=CC(C#N)C#N;UHGYJSAUSZQMEI-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335892;MM335892;C#CC1(C#N)CN(C=O)C1;VRQSFPFWAFFSDX-UHFFFAOYSA-N;134.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335893;MM335893;CC(C=O)=CC(C=O)C=O;PLBXJLXSQZFHRT-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335894;MM335894;C#CC1(C=C)CN(N=C)C1;YYCRMNBJMSRGQN-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335895;MM335895;C=CC(F)=CC(C=C)C=C;XFQUBSYBFNWUCL-UHFFFAOYSA-N;138.19;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335896;MM335896;C#CC1(C=O)CN(N=C)C1;KENLHFPZWMTTOI-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335897;MM335897;C=CC(C=C)C=C(F)C=O;ZMRFFIHRPWGWSP-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335898;MM335898;C#CC1(C#N)CN(N=C)C1;PGIOEOWTAWHKQF-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335899;MM335899;C=CC(C=C)C=C(F)C#N;YUPNBENAMKQWRN-UHFFFAOYSA-N;137.16;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335900;MM335900;C#CC1CC(C#C)(C=C)C1;KESBMKKMXKAIHM-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335901;MM335901;C=CC(F)=CC(C=C)C=O;QKWCZIWLHJVXFL-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335902;MM335902;C#CC1CC(C#C)(C=O)C1;RDTSUPNMTGLZQW-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335903;MM335903;C=CC(F)=CC(C#N)C=C;OQIGYDZRBZGUIM-UHFFFAOYSA-N;137.16;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335904;MM335904;C#CC1CC(C#C)(C#N)C1;SQSZNHBVBWYQKZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335905;MM335905;C=CC(C=O)C=C(F)C=O;NJBLOLSGBGEUGF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335906;MM335906;C#CC1CC(C#C)(C#N)N1;WXAHYKXZOOJVOB-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335907;MM335907;C=CC(C=O)C=C(F)C#N;ANBJMWQHWWQOTQ-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335908;MM335908;C#CC1CC(C#C)(C=C)O1;SKPQLOCPOZCQGB-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335909;MM335909;C=CC(C#N)C=C(F)C=O;CRMPWTMICAWGJK-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335910;MM335910;C#CC1CC(C#C)(C=O)O1;MRQXMLRVEHFHLM-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335911;MM335911;C=CC(C#N)C=C(F)C#N;PJGPSRWNOKTMMH-UHFFFAOYSA-N;136.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335912;MM335912;C#CC1CC(C#C)(C#N)O1;VQIPWUJLGFPXGR-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335913;MM335913;C=CC(F)=CC(C=O)C=O;YKDSBYRFFHDEOQ-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335914;MM335914;C#CC1(C#C)CC(CC)C1;QRIHCXLEUBJIJL-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335915;MM335915;N#CC(F)=CC(C#N)C#N;BBCVXGSFJRCWBR-UHFFFAOYSA-N;135.1;1.03;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335916;MM335916;C#CC1(C#C)CC(CN)C1;QIKUIUNNNKQARI-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335917;MM335917;C=CC(C)=CN(C=C)C=N;OBQDXDWCYCQVIK-UHFFFAOYSA-N;136.2;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335918;MM335918;C=C1C=CC(CCO)=C1;HWBQWPOMHQRULC-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335919;MM335919;CC(C=O)=CN(C=O)C=O;SJQBRCVEUXGEPP-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335920;MM335920;C=CC(F)=CN(C=C)C=N;CPCHYZQCVAJFQK-UHFFFAOYSA-N;140.16;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335921;MM335921;C#CC1(C#C)CC(CF)C1;MGXDYUKZPHABCO-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335922;MM335922;C=CC(F)=CN(C=C)C=O;HRFDPINJRPVPOX-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335923;MM335923;C#CC1(C#C)CC(NC)C1;MXZLREZWAZZGRJ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335924;MM335924;C=CN(C=O)C=C(F)C#N;QXYLXHJPDZIGDQ-UHFFFAOYSA-N;140.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335925;MM335925;C#CC1(C#C)CC(OC)C1;RMRVWXFTNGRBFC-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335926;MM335926;N#CC(F)=CN(C=N)C=N;HBVUARLMZIVGIE-UHFFFAOYSA-N;140.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335927;MM335927;C#CC1(C#C)CC(CC)N1;SKNLTOWXJGWPNB-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335928;MM335928;C=CC(F)=CN(C=N)C=O;GKLFIWGUERNDOK-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335929;MM335929;C#CC1(C#C)CC(CN)N1;XFADDSYPULQPGH-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335930;MM335930;C=CC(F)=CN(C=O)C=O;QNABIFCSTNCFEQ-UHFFFAOYSA-N;143.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335931;MM335931;C#CC1(C#C)CC(CC)O1;XMZGIIMQUDFMQG-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335932;MM335932;C=NN(C=N)C=C(C)C=O;LWLBLWUIMAVLAL-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335933;MM335933;C#CC1(C#C)CC(CN)O1;WQCUZAGCWBPMTB-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335934;MM335934;C=NN(C=N)C=C(C)C#N;ZRPAMRUATBUHQY-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335935;MM335935;C#CC1(C#C)CC(C=C)C1;IIWGXMKNIHFGEL-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335936;MM335936;C=NN(C=O)C=C(C)C=O;GIOWTBQSYFCWOP-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335937;MM335937;C#CC1(C#C)CC(C=O)C1;VORLSGQJGJNBKR-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335938;MM335938;C=NN(C=N)C=C(F)C#N;RBWFQCIHRWLICA-UHFFFAOYSA-N;140.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335939;MM335939;C#CC1(C#C)CC(C#N)C1;KZHONIFVQFIEMM-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335940;MM335940;C=NN(C=O)C=C(F)C#N;VUOVFAXHOYFIKC-UHFFFAOYSA-N;141.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335941;MM335941;N#CC1=CC(CO)CC1;IXCCQRSGDDUDLR-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335942;MM335942;C=CC(C)=NN(C=C)C=N;WSFPPBIRZBDUDI-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335943;MM335943;C#CC1(C#C)CC(C#N)N1;YVTPCNHEPGFZIN-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335944;MM335944;CC(C=O)=NN(C=N)C=N;LTDWTEXZHKFBPK-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335945;MM335945;C#CC1(C#C)CC(C=C)O1;BAGWXWQLKXNHDX-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335946;MM335946;CC(C=O)=NN(C=N)C=O;AOBZAKGMYZQZIM-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335947;MM335947;C#CC1(C#C)CC(C=O)O1;OQKVRNQSUFPOPZ-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335948;MM335948;C#CC1(C#C)CC(C#N)O1;AKNVWYXPEIFQNX-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335949;MM335949;C#CC(C)=CC(C=C)C=C;WFOMBEMVXZIEIA-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335950;MM335950;C#CC1(C#C)CN(C=N)C1;OCVZLQBPECLSJC-UHFFFAOYSA-N;132.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335951;MM335951;C#CC(C)=CC(C=C)C=O;CITMJUXSWAPQJG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335952;MM335952;C#CC1(C#C)CN(C=O)C1;OXDYZDKZNXQWLV-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335953;MM335953;C#CC(C)=CC(C#N)C=C;JUQZQXGUNZXJLF-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335954;MM335954;C#CC1(C#C)CN(N=C)C1;LGKXQKZFYABNHK-UHFFFAOYSA-N;132.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335955;MM335955;C#CC(C)=CC(C=O)C=O;HQSFJRVUNCNSQC-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335956;MM335956;C#CC1CC(C#C)(C#C)C1;VGBOINQMGMTAFE-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335957;MM335957;C#CC(C)=CC(C#N)C#N;JSFQGPUFUWWTSG-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335958;MM335958;C#CC1CC(C#C)(C#C)O1;CWRUYYHMSFCBNI-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335959;MM335959;C#CC(F)=CC(C#N)C=C;HGCUIIAIXYPSSS-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335960;MM335960;CCC1(CC)CC1C(C)C;FLGVJPFWWNIMKI-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335961;MM335961;C#CC(F)=CC(C#N)C=O;YQAYMVXZDUKUTB-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335962;MM335962;CCC1(CN)CC1C(C)C;NRDSQRXUMUYKEM-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335963;MM335963;C#CC(F)=CC(C#N)C#N;WWBHIPMJWBXCKW-UHFFFAOYSA-N;134.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335964;MM335964;C#CC(C)C1CC1CO;SNTPXEWJDRDMJK-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335965;MM335965;C#CC(C)=CN(C=C)C=N;XOWAPLQOUXIOMO-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335966;MM335966;CC(C)C1CC1(CO)CO;DGDUJQNIAGPQLE-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335967;MM335967;C#CC(C)=CN(C=C)C=O;NULKKIWWBCGUKX-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335968;MM335968;CCC1(CC)CC1C(C)N;QAQHQVMSGCYXIU-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335969;MM335969;C#CC(F)=CN(C=C)C=N;GJGKSTIZOOEECL-UHFFFAOYSA-N;138.15;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335970;MM335970;CCC1(CO)CC1C(C)N;YCVQRKRUEASLRV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335971;MM335971;C#CC(F)=CN(C=C)C=O;YANYJIRCLLBXIW-UHFFFAOYSA-N;139.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335972;MM335972;CC(N)C1CC1(CN)CN;VJUBGVUSXKIZJU-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335973;MM335973;C#CC(C)=CN(C=O)N=C;IOYITHAXSHKPAN-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335974;MM335974;CC(N)C1CC1(CN)CO;YMSDDPYUSWPGKC-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335975;MM335975;C#CC(F)=CN(C=N)N=C;ZJUGUYIUGUDVCC-UHFFFAOYSA-N;139.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335976;MM335976;C=NNC=NN=CCF;YCKIXYMVQPRHIX-UHFFFAOYSA-N;130.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335977;MM335977;CCC1(CO)CC1C(C)O;OIHGPTDYKDMCCY-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335978;MM335978;C#CC(F)=CN(C=O)N=C;DBZQUIOODVAINQ-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335979;MM335979;CC(O)C1CC1(CN)CN;FRHLPZKQAPQVDU-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335980;MM335980;C#CC(C)=NN(C=C)C=N;MIVBRHFOZATJDV-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335981;MM335981;CC(O)C1CC1(CN)CO;NODRWUGYCGRKGK-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335982;MM335982;C#CC(C)=NN(C=N)C=N;YXAZKBNWYWMPQT-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335983;MM335983;CCC1(CC)CC1C(C)F;KYWKYOWBAIOIOZ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335984;MM335984;C#CC(C)=NN(C=N)C=O;BLMDOEVWJPPFCW-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335985;MM335985;CCC1(CN)CC1C(C)F;QUIXZAINVPEZJM-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335986;MM335986;C#CC(C)=NN(C=O)C=O;BILLQYJTNJEGKB-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335987;MM335987;CCC1(CO)CC1C(C)F;CAUOKHAZSGBLGF-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335988;MM335988;C#CC(C=C)C=C(C)CC;JJNNPWXRZVKPCI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335989;MM335989;CCC1(CN)CC1C(F)F;QELLRVRQRDLNRV-UHFFFAOYSA-N;149.18;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335990;MM335990;C#CC(C=C)C=C(C)CN;AHVDWDJDMNIPTP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335991;MM335991;CCC1(CO)CC1C(F)F;RHGMSQPOFPZGBP-UHFFFAOYSA-N;150.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335992;MM335992;C#CC(C=C)C=C(C)CO;FPMISLDNMMUMLO-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335993;MM335993;CCC1(NC)CC1C(C)C;JMYGJARFRMFJBL-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335994;MM335994;C#CC(C=C)C=C(C)CF;RECXNLXXLRJUNU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335995;MM335995;CNC1(CN)CC1C(C)C;VNKPRFUFWZAFBC-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335996;MM335996;C#CC(C=O)C=C(C)CC;ABAVSGRUVSOKNH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335997;MM335997;CCC1(NC)CC1C(C)N;NLOXGAGJBVKBEB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335998;MM335998;C#CC(C=C)C=C(F)CC;KVFDQKLONPXRFU-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM335999;MM335999;CNC1(CN)CC1C(C)N;ILJBWHLZYKJPSF-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336000;MM336000;C#CC(C=C)C=C(F)CF;FCAWUDJKKUATHF-UHFFFAOYSA-N;142.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336001;MM336001;CCC1(NC)CC1C(C)O;CCTMTTGLLUNWHD-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336002;MM336002;C#CC(C#N)C=C(F)CC;ZDXHHFCBWMHVOI-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336003;MM336003;CCC1(NC)CC1C(C)F;MQAAGIZKLFLAMO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336004;MM336004;C#CC(C=C)C=C(C)OC;ROVSRVNFQVBIBM-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336005;MM336005;CNC1(CN)CC1C(C)F;LWAAAKDWHHLDMX-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336006;MM336006;CCC1(NC)CC1C(F)F;HXYNIVJBTHXHEB-UHFFFAOYSA-N;149.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336007;MM336007;C#CC(C#N)C=C(C)OC;ZOINEBPRPGWMPF-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336008;MM336008;CNC1(CN)CC1C(F)F;HNOYBRCJFRFXBH-UHFFFAOYSA-N;150.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336009;MM336009;C#CC(C=C)C=C(C)C=C;OIYCDYXWQIXGOM-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336010;MM336010;COC1(CO)CC1C(C)N;KWPWCDZNLXTGKW-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336011;MM336011;C#CC(C=C)C=C(C)C=O;RPAGMIKQCNRCMA-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336012;MM336012;CCC1(OC)CC1C(C)O;KRROWHVEXCOIMJ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336013;MM336013;C#CC(C=C)C=C(C)C#N;QYWPVOISGSSIBJ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336014;MM336014;COC1(CO)CC1C(C)O;NPZNRJSBPWQLFZ-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336015;MM336015;C#CC(C=O)C=C(C)C#N;MQQTURPMOUSUKM-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336016;MM336016;CCC1(OC)CC1C(C)F;IOIWRQGWFGZACI-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336017;MM336017;C#CC(C#N)C=C(C)C=O;QMHJROWZHOQKGK-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336018;MM336018;CCC1(OC)CC1C(F)F;AUIKYBYVZSCJBP-UHFFFAOYSA-N;150.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336019;MM336019;C#CC(C#N)C=C(C)C#N;VGJZLNVKLCSQCI-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336020;MM336020;CCC1(CC)CC1N(C)C;CKSXHBDCVZNGIZ-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_P1";;;;;;;2.08;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336021;MM336021;C#CC(C=C)C=C(F)C=C;RFESJGIOXCATDR-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336022;MM336022;CCC1(CN)CC1N(C)C;DBSJPKDDDFGRBV-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336023;MM336023;C#CC(C=C)C=C(F)C=O;NPKDUCWRJZBNQX-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336024;MM336024;CCC1(CO)CC1N(C)C;DOQLGVBNKWNNPJ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336025;MM336025;C#CC(C=C)C=C(F)C#N;PDPPTHWAKJTLSG-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336026;MM336026;CCC1(CF)CC1N(C)C;OPGNPAZEEJBYIH-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336027;MM336027;C#CC(C=O)C=C(F)C=C;LITOKCHCICXZHA-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336028;MM336028;CN(C)C1CC1(CN)CN;YRFFVRJQACIAHJ-UHFFFAOYSA-N;143.23;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336029;MM336029;C#CC(C#N)C=C(F)C=C;YXUMHGRRRWJMKP-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336030;MM336030;CCC1(NC)CC1N(C)C;XXJMUVZMEXLSRA-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336031;MM336031;C#CC(C#N)C=C(F)C=O;OWZLMWKQOVXVRG-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336032;MM336032;CNC1(CN)CC1N(C)C;GETOPVBTYQDONE-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336033;MM336033;CCC1(CN)NC1C(C)C;DOCKRGYQNPZRIU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336034;MM336034;C#CC(C)=CC(C#C)C=C;HSDKURARZQJXIX-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336035;MM336035;CC(C)C1NC1(CN)CO;KQPLLQFHFCNNTC-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336036;MM336036;C#CC(C)=CC(C#C)C=O;OMULHUHKXHHWAH-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336037;MM336037;CCC1(CC)NC1C(C)N;LUPCADMLSMMLAE-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336038;MM336038;C#CC(C)=CC(C#C)C#N;DWCQSXUSVCETKT-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336039;MM336039;CCC1(CN)NC1C(C)N;LNMOFXOGVMZBKL-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336040;MM336040;C#CC(F)=CC(C#C)C=C;YVDMTVVOOYNEKO-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336041;MM336041;CC(N)C1NC1(CN)CN;WCSMPUUREZFNBP-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336042;MM336042;C#CC(C#C)C=C(C)CC;LNPCAEUWEWHGQL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336043;MM336043;CCC1(CN)NC1C(C)O;ICLVFOYCIDAAEJ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336044;MM336044;C#CC(C#C)C=C(C)CN;CYESEBLNSILYDL-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336045;MM336045;CC(=CC(C)O)CC(C)F;TZCDHQNBSZVURM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336046;MM336046;C#CC(C#C)C=C(C)CO;UZWONOIDQZHOFJ-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336047;MM336047;CCC1(CC)NC1C(F)F;ZOYNQBOYFLOGCO-UHFFFAOYSA-N;149.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336048;MM336048;C#CC(C#C)C=C(C)CF;UXFQHQWQKLSVLD-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336049;MM336049;CCC1(CN)NC1C(F)F;JOHWZGONOOPRBS-UHFFFAOYSA-N;150.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336050;MM336050;C#CC(C#C)C=C(F)CC;NHJBSSTYWGPOTH-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336051;MM336051;CCC1(CC)OC1C(C)N;MRDDXCBZUPMUHM-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336052;MM336052;C#CC(C#C)C=C(F)CO;USJGQVFELOTQKR-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336053;MM336053;CCC1(CC)OC1C(C)O;PYNZSHOUAPMJAJ-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336054;MM336054;C#CC(C#C)C=C(F)CF;DBGIAFSLNYCVLU-UHFFFAOYSA-N;140.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336055;MM336055;CCC1(CC)OC1C(C)F;SAVQQBASEHVGTM-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336056;MM336056;C#CC(C#C)C=C(C)OC;NFXYUVVFNCFREB-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336057;MM336057;CCC1(CN)OC1C(C)F;HBRHWXYVRXYRFY-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336058;MM336058;C#CC(C#C)C=C(C)C=C;YNZXKCZVPOTTNM-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336059;MM336059;CCC1(CO)OC1C(C)F;CIHMMNWSGFYZLN-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336060;MM336060;C#CC(C#C)C=C(C)C=O;XTIDJVCYUOZJAV-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336061;MM336061;CCC1(CC)OC1C(F)F;WFLCGBJZQCGXTF-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336062;MM336062;C#CC(C#C)C=C(C)C#N;ORGIDPXOWNQOIZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336063;MM336063;CCC1(CN)CN1C(C)C;CNQIBQRWOQETIL-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336064;MM336064;CC(C)N1CC1(CN)CO;FKCPLLDHNZUXJF-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336065;MM336065;C#CC(C#C)C=C(F)C=C;ZDEBBBSWZZXVSP-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336066;MM336066;C=CC1(CC)CC1C(C)C;ZMHOPOHPIABZLO-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336067;MM336067;C#CC(C#C)C=C(F)C=O;NCKOMMHRNMHWNW-UHFFFAOYSA-N;136.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336068;MM336068;CCC1(C=O)CC1C(C)C;UDFKWAHPNJATKY-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336069;MM336069;C#CC(C)=CC(C#C)C#C;YWGPUGFNPFNURX-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336070;MM336070;CCC1(C#N)CC1C(C)C;KMUFDWXOYDKQSL-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336071;MM336071;C#CC(F)=CC(C#C)C#C;XTZWFADZFVLFTB-UHFFFAOYSA-N;132.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336072;MM336072;C=CC1(CN)CC1C(C)C;IIVVPJJNJSOTMM-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336073;MM336073;CC=C(C=C(C)CC)CC;YMAIMZCUIFGXRW-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336074;MM336074;CC(C)C1CC1(C#N)CO;KFKYAEGKAARQLH-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336075;MM336075;CC=C(C=C(C)CN)CC;WCOAOCMEVFPAJK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336076;MM336076;CC(C)C1CC1(C#N)CF;NUVNZIPFXBEGPV-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336077;MM336077;CC=C(C=C(C)CO)CC;SCPUMOOPGLDZMD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336078;MM336078;C=CC1(CC)CC1C(C)N;ZMTAAPLAIWPAJM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336079;MM336079;CC=C(C=C(C)CF)CC;STPCSZBTAXNACV-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336080;MM336080;C=CC1(CN)CC1C(C)N;MEGITSRYQQLFJB-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336081;MM336081;CCC(C)=CC(=CF)CC;ACXKCODJMWPAEF-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336082;MM336082;C=CC1(CO)CC1C(C)N;LXMGYABBPDXVIV-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336083;MM336083;CCC(C=C(C)CN)=CF;AAJSXQPCFHQVFR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336084;MM336084;C=CC1(CF)CC1C(C)N;ODLMSNOWOBECCR-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336085;MM336085;CC=C(C=C(C)CC)CN;BREVKQGACJNLIK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336086;MM336086;CC(=CC(C)O)CC(F)F;AQBZYRQOOHPUSG-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336087;MM336087;CC=C(C=C(C)CO)CN;MQCBDFSVTJBHLP-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336088;MM336088;CCC1(C=O)CC1C(C)O;QXZRMEWHDGQRII-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336089;MM336089;CCC(C)=CC(=CF)CN;XFFAFQGRIPQWLF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336090;MM336090;CCC1(C#N)CC1C(C)O;ZUOHKZQZYFWHFY-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336091;MM336091;CC=C(C=C(C)CC)CO;DLUXJKOUSMFKRF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336092;MM336092;C=CC1(CN)CC1C(C)O;NAJPKNGQMNMZOB-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336093;MM336093;CC=C(C=C(C)CN)CO;QZOUMYHFZMKJCA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336094;MM336094;CC(O)C1CC1(C#N)CO;XFJOJUWTMIWSFD-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336095;MM336095;CC=C(C=C(C)CO)CO;DMCRIZHRKRUICO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336096;MM336096;C=CC1(CF)CC1C(C)O;RHKAIQGNCBLYDD-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336097;MM336097;CCC(C)=CC(=CF)CO;KIQNHUKSQRKISN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336098;MM336098;C=CC1(CC)CC1C(C)F;LGSKNQKLYNNZMR-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336099;MM336099;CC=C(C=C(C)CC)CF;OCTKWJAJFSDZHY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336100;MM336100;CCC1(C=O)CC1C(C)F;UCSFWMVWCCAPKS-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336101;MM336101;CC=C(C=C(C)CO)CF;WTDLAWKKAWVVIN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336102;MM336102;CCC1(C#N)CC1C(C)F;SOVFQLWJPGAWEA-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336103;MM336103;CC=C(C=C(C)CF)CF;ZFDFAUWLAZZCDI-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336104;MM336104;C=CC1(CN)CC1C(C)F;DEEPYKRHYKPOGY-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336105;MM336105;CC(=CC(=CF)CF)CN;AOEVDDIPJAOEGY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336106;MM336106;C=CC1(CO)CC1C(C)F;ILPGILRNCBDPIZ-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336107;MM336107;CC(=CC(=CF)CF)CF;TWYVEYPKXNGKIT-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336108;MM336108;C=CC1(CC)CC1C(F)F;OJVLLNSVYXEQMR-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336109;MM336109;CC=C(C=C(F)CC)CC;GSBKMVXCHRGTTL-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336110;MM336110;CCC1(C=O)CC1C(F)F;XGQFWXUVVCVNPN-UHFFFAOYSA-N;148.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336111;MM336111;CC=C(C=C(F)CF)CC;WTMSGWAZOZGFHN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336112;MM336112;CCC1(C#N)CC1C(F)F;SAOVYMCGVQMOBK-UHFFFAOYSA-N;145.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336113;MM336113;CCC(F)=CC(=CF)CC;BQWSQUYBDIJXQS-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336114;MM336114;C=CC1(CN)CC1C(F)F;QJDMQXHYLVLKLF-UHFFFAOYSA-N;147.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336115;MM336115;CCC(C=C(F)CO)=CF;ZRRSESKBJYZLTH-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336116;MM336116;C=CC1(CO)CC1C(F)F;XYKJQJRYHCECMS-UHFFFAOYSA-N;148.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336117;MM336117;CC=C(C=C(F)CC)CN;YSKKVMDXXCKIDQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336118;MM336118;N#CC1(CO)CC1C(F)F;KSBLENMMTDLRLO-UHFFFAOYSA-N;147.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336119;MM336119;CC=C(C=C(F)CF)CN;ISTWOXKCXLAHOM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336120;MM336120;C=CC1(NC)CC1C(C)C;GPYDUEZVOGUGOK-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336121;MM336121;CCC(F)=CC(=CF)CN;HTVULUYULKVBGG-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336122;MM336122;CNC1(C#N)CC1C(C)C;RXQBHGJCAGSALQ-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336123;MM336123;NCC(C=C(F)CF)=CF;RZXDZFCMQWPJHF-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336124;MM336124;C=CC1(NC)CC1C(C)N;CXFWZENUIMFQBR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336125;MM336125;CC=C(C=C(F)CC)CO;HNPYDOXVHIZNBB-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336126;MM336126;C=CC1(NC)CC1C(C)O;STTGEJDLSPRZRY-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336127;MM336127;CC=C(C=C(F)CO)CO;AOCMYXQMACOBHB-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336128;MM336128;C=NOC(OC)C(F)(F)F;NGVVMBVSJURIGV-UHFFFAOYSA-N;157.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336129;MM336129;CC=C(C=C(F)CO)CF;WFDPBKYZIXHOEL-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336130;MM336130;C=CC1(NC)CC1C(C)F;TUTJRFQGGUOYML-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336131;MM336131;CC=C(C=C(C)OC)CC;NLNKCAGPOKQUCM-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336132;MM336132;CNC1(C#N)CC1C(C)F;NSSHEUDAWGDIPC-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336133;MM336133;CC=C(C=C(C)OC)CN;XGSZRSZDNAMPJZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336134;MM336134;C=CC1(NC)CC1C(F)F;GYXQKYPFGYYDSR-UHFFFAOYSA-N;147.17;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336135;MM336135;COC(C)=CC(=CF)CN;DAUGSRVLKMPLNF-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336136;MM336136;CNC1(C#N)CC1C(F)F;MBEWGDMFQVNRLX-UHFFFAOYSA-N;146.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336137;MM336137;CC=C(C=C(C)OC)CO;VZTAHULMNFIUQJ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336138;MM336138;C=CC1(OC)CC1C(C)F;ZWNDNXDPIKSNDL-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336139;MM336139;COC(C)=CC(=CF)CF;XWILRMRQEFRVIY-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336140;MM336140;COC1(C#N)CC1C(C)F;BHJKRCMIPALIOR-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336141;MM336141;CCC(C)=CC(CC)=NN;KPGMIALBKYSABI-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336142;MM336142;C=CC1(OC)CC1C(F)F;KZJAOUQSPRLWAH-UHFFFAOYSA-N;148.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336143;MM336143;CC=CCCCC(N)=O;KDZMEZRLDMNVMZ-UHFFFAOYSA-N;127.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336144;MM336144;COC1(C=O)CC1C(F)F;LBQMKVDONWARBP-UHFFFAOYSA-N;150.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336145;MM336145;CCC(C=C(C)CF)=NN;UMZSVICBMVGJGX-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336146;MM336146;C=CC1(CC)CC1N(C)C;BZFIAMQAEZKHIK-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336147;MM336147;CC#CCC(O)C=CC;XIYAQPICVNJZCP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336148;MM336148;CCC1(C=O)CC1N(C)C;PFZZAKKDVUJUDD-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336149;MM336149;CCC(C=C(C)CO)=NO;JVOCDZCXVAIZBH-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336150;MM336150;C=CC1(CN)CC1N(C)C;ONYNDIAJXPZMIN-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336151;MM336151;CCC(C=C(C)CF)=NO;IXBHFAUKHBHYHU-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336152;MM336152;C=CC1(CO)CC1N(C)C;NTJCQZIPMPBWMA-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336153;MM336153;CC(=CC(CN)=NO)CN;NYPAAMUWZYQLRY-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336154;MM336154;C=C(C#CC#N)CC(C)O;WEMHYZQFHMGWRW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336155;MM336155;CC(=CC(CN)=NO)CO;DSTDNWNZTPXRJC-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336156;MM336156;CN(C)C1CC1(C#N)CF;TWYURCZUPQONRI-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336157;MM336157;CCC(C)=CC(CF)=NN;RDGHPHZECXMYAS-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336158;MM336158;C=CC1(NC)CC1N(C)C;VLQJWJDESSLTHC-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336159;MM336159;CC(=CC(CF)=NN)CF;YJUGJUVNQJGURP-UHFFFAOYSA-N;148.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336160;MM336160;CNC1(C#N)CC1N(C)C;TZEKLGXZHBWZOK-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336161;MM336161;C#CC=C(C=C)CCO;LCWOZTBEQZMLLP-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336162;MM336162;C=CC1(OC)CC1N(C)C;KUQSYQMBQOKAEQ-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336163;MM336163;NCC(N)=CC(CN)=NO;STLHKUXJUGMWJR-UHFFFAOYSA-N;144.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336164;MM336164;COC1(C#N)CC1N(C)C;HDNYRZSYDWJMMU-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336165;MM336165;NCC(C=C(N)CO)=NO;PUBDLMALHTXLEG-UHFFFAOYSA-N;145.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336166;MM336166;CCC1(C=O)NC1C(C)C;ODLCEMNJMPVXRZ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336167;MM336167;CCC(N)=CC(CO)=NO;CHVHZSDMMXYSPA-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336168;MM336168;CCC1(C#N)NC1C(C)C;WKPYAZQGSKGZAM-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336169;MM336169;CCC(F)=CC(CC)=NN;NYPJVTIGITXHHC-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336170;MM336170;C=CC1(CN)NC1C(C)C;RMWJIQSQZARTCO-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336171;MM336171;CCC(C=C(F)CF)=NN;NDHJGBROSUETKG-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336172;MM336172;CCC(F)=CC(CC)=NO;UZGINNIUZLFBEN-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336173;MM336173;CC(=CC(C)O)CCCF;NFYXVYBEPLGMQP-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336174;MM336174;Cn1[nH]oc(=O)c1=NO;NZGMBXOEPYHTFR-UHFFFAOYSA-N;131.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336175;MM336175;C=CC1(CC)NC1C(C)N;KZEFOBQUJMNMHU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336176;MM336176;CN=C(C)C=C(CF)NO;IUCRSLWFGARGRP-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336177;MM336177;C=CC1(CO)NC1C(C)N;WKDCWKWXYNNHCX-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336178;MM336178;CCC(=CC(=N)NC)NN;YPTZFQODRMCGQC-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336179;MM336179;CC(=CC(C)O)CCC=O;ZVFLHNBQKBLNPL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336180;MM336180;CCC(C=C(C)OC)=NN;PQCOYAAMUPNYES-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336181;MM336181;C=C(C#N)CC(=C)C(C)O;DTQOARHBCOUVPX-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336182;MM336182;CCC(C=C(C)OC)=NO;ONDSJPSTZMIEGN-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336183;MM336183;C=CC1(CN)NC1C(C)O;NMLVTNNOYBVFTI-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336184;MM336184;CCC(C)=CC(=NC)NC;SZVVXAQCHRNYHX-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336185;MM336185;CC(=O)C(N)=NC(C)C=O;KXDGLOLMMNAING-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336186;MM336186;CCC(C)=CC(=NN)NC;NLQWEAAFBQGSCE-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336187;MM336187;C=CC1(CC)NC1C(C)F;LVZUCGGEMRYTMM-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336188;MM336188;CCN(CC=O)C(C)=O;CDUWQBZLSIOAKD-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336189;MM336189;CCC1(C=O)NC1C(C)F;LCNRHUCFJFXZDM-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336190;MM336190;CN=C(C=C(C)CN)NO;SSMTYFYRRWBAAP-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336191;MM336191;C#CC(C)CC1CC1O;XLQAYEYGZBVACT-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336192;MM336192;CCC1(C#N)NC1C(C)F;PLXRJVDZBDKVHC-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336193;MM336193;C=C(C)c1ccc(N)[nH]1;QDEQUEKKQYCWOF-UHFFFAOYSA-N;122.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336194;MM336194;CC(F)C1NC1(C#N)CO;QISPZIUXUPDKGK-UHFFFAOYSA-N;144.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336195;MM336195;Cn1onc(NN)c1=O;ZXZVHSMHUNAJQB-UHFFFAOYSA-N;130.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336196;MM336196;C=CC1(CC)NC1C(F)F;VGKHOAVOLDVRPQ-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336197;MM336197;CC(=CC(=NO)NO)CO;DFDDLQGKNZAGHW-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336198;MM336198;CCC1(C=O)NC1C(F)F;BELZDVFRCCAJHC-UHFFFAOYSA-N;149.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336199;MM336199;CN=C(C=C(N)CF)NC;CUWLFLYRNBKLGR-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336200;MM336200;CCC1(C#N)NC1C(F)F;CKAYOYWKXQGOAC-UHFFFAOYSA-N;146.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336201;MM336201;COC(=N)N1CC1C=O;HGNZJLSTZJSOMM-UHFFFAOYSA-N;128.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336202;MM336202;C=CC1(CN)NC1C(F)F;JKUJFGATEBOVQR-UHFFFAOYSA-N;148.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336203;MM336203;CC(CO)CC(C)(C)C#N;MWBGHCNIQUKULU-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336204;MM336204;C=C(C#N)C=C(C)C(C)O;NKFAJPDLNNKVAC-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336205;MM336205;CC(C)(C)N(C=O)CC=O;DQPTZYASNVPDHE-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336206;MM336206;C=CC1(CC)OC1C(C)C;JVYOBYVZQAXQGT-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336207;MM336207;C#CCC(O)C=CC(C)C;ACRWWFXLEUNSDA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336208;MM336208;CCC1(C=O)OC1C(C)C;ZIFYODVAVRTDHN-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336209;MM336209;CCC(O)CC#CC(C)=O;SSHCDDXBGVNPOP-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336210;MM336210;CCC1(C#N)OC1C(C)C;UCQOZSMSVMGJHA-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336211;MM336211;NC(=CC(=NO)NO)CO;MGJGYNKMCHLMEG-UHFFFAOYSA-N;147.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336212;MM336212;C=CC1(CO)OC1C(C)C;XCJCQHIQXMXRLF-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336213;MM336213;CCC(F)=CC(=NC)NC;VMHXNIWUNHJBCG-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336214;MM336214;C=CC1(CC)OC1C(C)N;MOVNQVRTJKQSLF-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336215;MM336215;CCC(F)=CC(=NO)NC;STRDROPJZUJSGM-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336216;MM336216;C=CC1(CN)OC1C(C)N;JLLBVHLTICGEAC-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336217;MM336217;C=NN1CC(C=O)C1(C)C;VTFKHIADENKGDR-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336218;MM336218;CCC1(C#N)OC1C(C)O;DNQONWOOHNKKGC-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336219;MM336219;C#CC#CCC(C)CCO;PRVWXJNROANZKH-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336220;MM336220;CCC(F)=CC(=NO)NO;DZWQEZLAGBRHFS-UHFFFAOYSA-N;148.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336221;MM336221;C=CC1(CO)OC1C(C)O;OKCSNZWEANJXBO-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336222;MM336222;CN=C(C=C(N)NC)NC;MZUKGQKWNXTUIE-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336223;MM336223;C=CC1(CC)OC1C(C)F;NZBHIIGBABIITB-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336224;MM336224;C=CC=NNC(N)=CC#N;QKYJASWRNZZWDT-UHFFFAOYSA-N;136.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336225;MM336225;CCC1(C=O)OC1C(C)F;OICCZBOPWPHWHZ-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336226;MM336226;CN=C(C=C(C)OC)NC;GDZPODGHZWDZPY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336227;MM336227;CCC1(C#N)OC1C(C)F;DSMXWLBEPMWHRS-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336228;MM336228;CC#CC#CC(C)C(C)O;GFKMJLUSZNXQKE-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336229;MM336229;C=CC1(CN)OC1C(F)F;GCHZQKSCZSNBFX-UHFFFAOYSA-N;149.14;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336230;MM336230;COC(N)=CC(=NO)NO;SZHFBBOAMFSNIW-UHFFFAOYSA-N;147.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336231;MM336231;C=CC1(CO)OC1C(F)F;ZOHMCUHYRGTGTK-UHFFFAOYSA-N;150.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336232;MM336232;CC=C(C=C(C)CC)OC;BPNQMZNJRUKBBE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336233;MM336233;CCC1(C=O)CN1C(C)C;SZNMRXZIVMEZLA-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336234;MM336234;CC=C(C=C(C)CN)OC;SLONYDMWIPKPFI-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336235;MM336235;CCC1(C#N)CN1C(C)C;AFKVOGVOAPLRKS-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336236;MM336236;CC=C(C=C(C)CO)OC;AJHQOGGIJVCTLT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336237;MM336237;C=CC1(CN)CN1C(C)C;QTGHVZXMRANLEU-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336238;MM336238;CCC(C)=CC(=CF)OC;IMJTVPPJPQLTKH-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336239;MM336239;C=C(CCO)C(=C)C(C)=O;QGXJGUDJTJJKRQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336240;MM336240;CC=C(C=C(F)CC)OC;SNROHMGHLPOCJO-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336241;MM336241;C=NOC(C#CC)OC=O;WGCZAXNYAKKPMU-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336242;MM336242;COC(C=C(F)CO)=CF;FXVMVUMISKDQEY-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336243;MM336243;C#CC1(CC)CC1C(C)C;AIVLMKZUTZZZLO-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336244;MM336244;COC(C=C(F)CF)=CF;BQYHLULURMQRLZ-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336245;MM336245;C#CC1(CN)CC1C(C)C;JJPKXJAGTXPWBO-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336246;MM336246;CC=C(C=C(C)OC)OC;ZHHLVZXIVBEOIN-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336247;MM336247;C=C1CC(C=CC)=CC1O;MDYSJKOWYGXYLN-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336248;MM336248;COC(C)=CC(=CF)OC;VWWJYCDONJACIE-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336249;MM336249;C#CC1(CF)CC1C(C)C;NKSXMNQGPWCUEH-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336250;MM336250;C=C(C#CC)CC1CC1O;XEFZYEDKVPAICZ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336251;MM336251;C#CC1(CC)CC1C(C)N;ASRIHGHHXDGYOE-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336252;MM336252;C#CC(C#C)(C#C)C(C)O;SIGVAHBCHVIHMO-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336253;MM336253;CCC(C)=CC(=NO)OC;JZRCGHSUQCMDIX-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336254;MM336254;C#CC1(CN)CC1C(C)N;CLFVZBMQEWPBKL-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336255;MM336255;COC(C=C(C)CF)=NO;JRSPEKDKXIQEAI-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336256;MM336256;C#CC1(CO)CC1C(C)N;LZUNBKRYMLLFAG-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336257;MM336257;CC(CO)CC(C#N)CF;UDYBQBAUTVCLFI-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336258;MM336258;C#CC1(CF)CC1C(C)N;WJNSTRIBFUAFIF-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336259;MM336259;COC(C=C(N)CO)=NO;NPYANENBURYVRF-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336260;MM336260;C#CC=CC(O)(C=C)C=C;GFEWLMRAARMSFI-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336261;MM336261;CCC(CC(=O)OC)=NN;UJWVIEXWBJZDEE-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336262;MM336262;C#CC1(CN)CC1C(C)O;CKLGDGBRWKNDFL-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336263;MM336263;CC(CO)CC#CC=NN;IZVBTVPTIDZFAE-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336264;MM336264;C#CC1(CO)CC1C(C)O;HTTZCDFRYZZVKN-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336265;MM336265;C=CC1(C)C(C)C1CCO;JGQIEQGHFGVZET-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336266;MM336266;C#CC1(CC)CC1C(C)F;VHAPGTFKONMYQJ-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336267;MM336267;COC(C)=CC(=NO)OC;XRJVSRHCDIKDKR-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336268;MM336268;C#CC1(CN)CC1C(C)F;LPYQBFQKZKSEHN-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336269;MM336269;COC(N)=CC(=NO)OC;GRUMMMAMQVFOKK-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336270;MM336270;C#CC1(CO)CC1C(C)F;KOHXJECDCGFGOI-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336271;MM336271;CC#CC(CO)CC=CF;LNIWVLIPXBDWHA-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336272;MM336272;C#CC1(CF)CC1C(C)F;XRMQHKXLZVQLRG-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336273;MM336273;C=CC(C)=CC(=CC)CC;YJDIGFHRUXHISZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336274;MM336274;C#CC1(CC)CC1C(F)F;ZHSFFGTUGWNELC-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336275;MM336275;CC=C(C=C(C)C=O)CC;KXJGPUUUNDIGQO-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336276;MM336276;C#CC1(CN)CC1C(F)F;WSOSLXPLCNFOEJ-UHFFFAOYSA-N;145.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336277;MM336277;CC=C(C=C(C)C#N)CC;GUYPSJJPMWOQGE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336278;MM336278;C#CC1(NC)CC1C(C)C;YJPCVLCSKSDRQJ-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336279;MM336279;C=CC(C)=CC(=CC)CN;RYCQDNYFGNAZKN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336280;MM336280;C#CC1(NC)CC1C(C)N;FLXIPJPNNQXEEO-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336281;MM336281;C=CC(C)=CC(=CF)CN;WHFLPHZOSYWSBH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336282;MM336282;C#CC1(NC)CC1C(C)O;DCQBXWXWPIEJPH-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336283;MM336283;C#CC(=O)N(C=O)C(=N)N;YKQPGAJDNWZJRC-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336284;MM336284;CC=C(C=C(C)C#N)CO;RDCCMZSGRKOTDU-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336285;MM336285;C#CC1(NC)CC1C(C)F;YNEOFNSFAAFUQH-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336286;MM336286;C=CC(C)=CC(=CF)CO;KPADSFDXFHULNY-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336287;MM336287;C#CC1(OC)CC1C(C)C;JRONIPFYBMDURL-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336288;MM336288;C=CC(C)=CC(=CC)CF;HJFGVLLCMMUFGS-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336289;MM336289;C#CC1(OC)CC1C(C)O;AKFYAJOVLJKWOC-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336290;MM336290;CC(C=O)=CC(=CF)CF;SVVWWKRLLMHWLD-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336291;MM336291;C#CC1(OC)CC1C(C)F;JGDUBPWQPGKOID-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336292;MM336292;C=CC(F)=CC(=CC)CC;NZAOCPZDXXDJKR-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336293;MM336293;C#CC1(OC)CC1C(F)F;KSLIBJLMIVOOGK-UHFFFAOYSA-N;146.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336294;MM336294;CC=C(C=C(F)C#N)CC;PYBKLHLIBZDNME-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336295;MM336295;C#CC1(CC)CC1N(C)C;WTKCHCUTQCIBPS-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336296;MM336296;CCC(C=C(F)C=O)=CF;LYWWSXMJJYAVLL-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336297;MM336297;C#CC1(CN)CC1N(C)C;JIPVUBPXYHEWDB-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336298;MM336298;CCC(C=C(F)C#N)=CF;IWIRUMCSFOBFKW-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336299;MM336299;C#CC1(CO)CC1N(C)C;PTLAEYHXMJJTEG-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336300;MM336300;C=CC(F)=CC(=CC)CN;NBICJLRKLACQKF-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336301;MM336301;C#CC1(CF)CC1N(C)C;AHLZZBXWTNODSL-UHFFFAOYSA-N;141.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336302;MM336302;C=CC(F)=CC(=CF)CN;BVFHWCAJXOJFEX-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336303;MM336303;C#CC1(NC)CC1N(C)C;NNMZTNUVEBSBDT-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336304;MM336304;C=CC(F)=CC(=CC)CO;STMNZFSLMOMEFE-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336305;MM336305;C#CC1(CN)NC1C(C)C;PGGBXHQSXBVMQB-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336306;MM336306;CC=C(C=C(F)C=O)CO;UWCWRJICDCOHMP-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336307;MM336307;C=C(C#N)C=CC(O)CC;AXNISESACBMQRA-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336308;MM336308;CC=C(C=C(F)C#N)CO;CUFKTGNGBNTQMR-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336309;MM336309;C#CC1(CF)NC1C(C)C;YMJNNEIQAFUHRU-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336310;MM336310;C=CC(F)=CC(=CF)CO;CNPCBRPKVFSDSU-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336311;MM336311;C#CC1(CC)NC1C(C)N;FSAVXKWQNZGKQX-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336312;MM336312;O=CC(F)=CC(=CF)CO;MWSBIANEBWTPRW-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336313;MM336313;C#CC1(CN)NC1C(C)N;NWXRCBZGUSLVCN-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336314;MM336314;O=CC(F)=CC(=CF)CF;CHQFGOGZYAAMCG-UHFFFAOYSA-N;150.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336315;MM336315;C#CC1(CO)NC1C(C)N;VIATXHBCGFOXLE-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336316;MM336316;C=CC(C)=CC(CC)=NN;VJYNWXAFOTUFGW-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336317;MM336317;C#CC1(CF)NC1C(C)N;NDVZWDMZDYVIQU-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336318;MM336318;C#CC(CO)CCC#CC;OHXUTIADQYLXTO-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336319;MM336319;N#CC(=CN)CC(F)=CF;MKTJBBZLHDSALC-UHFFFAOYSA-N;144.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336320;MM336320;CCC(C=C(C)C=O)=NO;WBAOEZJRJSZEKS-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336321;MM336321;C#CC1(CN)NC1C(C)O;UXNQVRUMQNCGGM-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336322;MM336322;CCC(C=C(C)C#N)=NO;PEUOZDJCNWHGLG-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336323;MM336323;C#CC1(C#C)C=CC(O)C1;CPUKTOBVUGUTLK-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336324;MM336324;C=CC(C)=CC(CN)=NO;PQDVAPRZSBQKFF-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336325;MM336325;C=CCCC(=O)CON=C;HJZHHUCQXNOYTC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336326;MM336326;CCNC=C(CC)C(=O)O;WSZRIFGEQZETRW-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336327;MM336327;C#CC1(CC)NC1C(C)F;GVMWAIODPBGWFD-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336328;MM336328;C#CC(CC)CC1CC1O;CZJTYZSJXUEYRN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336329;MM336329;C#CC1(CN)NC1C(C)F;MUGBRWPARIRISE-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336330;MM336330;CCNC(C)=CC(=O)O;TZTADYBXPPAGNG-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336331;MM336331;C=NN1CC1(C)C(C)C=O;YCZINFXHZCKAIN-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336332;MM336332;C=CC(F)=CC(CF)=NN;JFZNTVZRDBNSFH-UHFFFAOYSA-N;146.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336333;MM336333;C#CC1(CF)NC1C(C)F;TZMPMHPKEYOWKX-UHFFFAOYSA-N;145.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336334;MM336334;CCC(=CC(=O)O)NC;JTPJAQLLBKRAEX-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336335;MM336335;C=CC(C)=CC(=NC)NC;IYALAIIZWUBAJL-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336336;MM336336;C#CC1(CC)NC1C(F)F;IUSHOTAZUAUGQF-UHFFFAOYSA-N;145.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336337;MM336337;C=CC(C)=CC(=NC)NO;GTECFBFFINRAOI-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336338;MM336338;C#CC1(CN)NC1C(F)F;QIUYEOITAKZWPQ-UHFFFAOYSA-N;146.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336339;MM336339;CC1NCC(=NN)C=C1F;CPMUEQYPAOANJK-UHFFFAOYSA-N;143.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336340;MM336340;C=CC1CC1(C)C(=C)CO;AUYSLZCJPUGKKR-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336341;MM336341;NC(C=O)=CC(=NO)NO;WTCVYDKPSKGHDZ-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336342;MM336342;C#CC1(CC)OC1C(C)C;NGZTUYIUJGQBHR-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336343;MM336343;CN=C(C=C(F)C#N)NC;UVDWJGAQVILOTG-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336344;MM336344;C#CC1(CN)OC1C(C)C;DGTKDDMKDWZAOY-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336345;MM336345;N#CC=C1C=CC2(O)CC12;SMOZQQNYDICLFS-UHFFFAOYSA-N;133.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336346;MM336346;C#CC1(CO)OC1C(C)C;IQGXXMOUGFRMDO-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336347;MM336347;C=CC(C)=CC(=CC)OC;JAQQSGFWJQHUPJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336348;MM336348;C#CC1(CC)OC1C(C)N;QFVCJHIZIRRXMW-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336349;MM336349;CC=C(C=C(C)C=O)OC;YRDDSKXPYXRMBY-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336350;MM336350;C#CC1(CN)OC1C(C)N;RNMHYTFHGVSQLM-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336351;MM336351;CC=C(C=C(C)C#N)OC;PMXKSYQJKLUMLE-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336352;MM336352;C#CC1(CC)OC1C(C)O;ADMIXKJXBZHRPA-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336353;MM336353;C=CC(C)=CC(=CF)OC;DNOIGHPVNXYSPC-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336354;MM336354;C#CC1(CN)OC1C(C)O;VFXWYTDOANFQCY-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336355;MM336355;COC(C=C(C)C=O)=CF;CKAZXKYLXIJLEL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336356;MM336356;C#CC1(CO)OC1C(C)O;ZDNMJVLYEWKEIE-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336357;MM336357;COC(C=C(C)C#N)=CF;DTEBNHYGCDGSOM-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336358;MM336358;C#CC1(CC)OC1C(C)F;HOHFTMIRQCGLPI-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336359;MM336359;C=CC(F)=CC(=CC)OC;WVRQNEYOWUXEED-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336360;MM336360;C#CC1(CN)OC1C(C)F;JQTVOQMFWPKJSS-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336361;MM336361;CC=C(C=C(F)C=O)OC;VEACHRPXBDVYMP-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336362;MM336362;C#CC1(CO)OC1C(C)F;XECOOVNWHSJAEX-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336363;MM336363;CC=C(C=C(F)C#N)OC;ZPUAWFPRJSVRSN-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336364;MM336364;C#CC1(CC)CN1C(C)C;RPOCNWZHIWQEPJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336365;MM336365;C=CC(F)=CC(=CF)OC;SYOZHSMOEUAQCO-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336366;MM336366;C#CC1(CN)CN1C(C)C;NIPQRPNRYNVTOH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336367;MM336367;COC(C=C(F)C=O)=CF;DXHHDNZQBHJWKI-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336368;MM336368;CC(C=CC#CC#N)CO;VBAFXBNOLHMBAM-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336369;MM336369;COC(C=C(F)C#N)=CF;PPMHRMJAERNFMS-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336370;MM336370;C#CC1(CF)CN1C(C)C;PDOLKYBBHXDMAR-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336371;MM336371;C=Cc1ccc(NCC)[nH]1;DHVHMIWFTFFLFN-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336372;MM336372;C=CC1(C=C)CC1C(C)C;DLEOBSLMNBTDKR-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336373;MM336373;C=CC(C)=CC(=NO)OC;XCWZXUQSSWCTLJ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336374;MM336374;C=CC1(C=O)CC1C(C)C;CIVMGGWOWJKIQM-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336375;MM336375;C#CCC(O)C=CC1CC1;AQDOKSJWXMAWRD-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336376;MM336376;C=CC1(C#N)CC1C(C)C;LFKLBNZQMFQHER-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336377;MM336377;COC(C=C(N)C=O)=NO;PIFULIWORUVXHG-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336378;MM336378;CC(C)C1CC1(C=O)C=O;VGCHEFMXWHNUFI-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336379;MM336379;CCn1nc(NN)c(=O)o1;WOMIUGRNWVQNJK-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336380;MM336380;CC(C)C1CC1(C#N)C=O;GEEIWSAWDXUKOE-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336381;MM336381;C#CC(C)=CC(=CC)CC;UBZPZBMDEKTFLA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336382;MM336382;CC(C)C1CC1(C#N)C#N;JWKLYNQMGJVPMC-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336383;MM336383;C#CC(C)=CC(=CC)CN;VXZRISOOZXUCFM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336384;MM336384;C=CC1(C=C)CC1C(C)N;HJSUZFQLHHHRMG-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336385;MM336385;C#CC(C)=CC(=CF)CN;ZJPXTABJYGGMCW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336386;MM336386;C=NNC=NN=C(C)C=O;DMAJBKDRRSLSTR-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336387;MM336387;C#CC(C)=CC(=CC)CO;CBRVPJUJMDZXGI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336388;MM336388;C#CC(C)=CC(=CC)CF;ZAUMLVSOOFBLKS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336389;MM336389;C=CC1(C=O)CC1C(C)O;OJAFWNCXNPTMIO-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336390;MM336390;C#CC(F)=CC(=CC)CC;NLTGENRLNYKQRH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336391;MM336391;C=CC1(C#N)CC1C(C)O;UORXFVNKFMFNSD-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336392;MM336392;C#CC(F)=CC(=CC)CN;UPVOBFBTMQTIEZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336393;MM336393;CC(O)C1CC1(C#N)C=O;AIKLYWLXARWUCB-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336394;MM336394;C#CC(F)=CC(=CF)CN;WJZBXIOEUWRCTI-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336395;MM336395;CC(O)C1CC1(C#N)C#N;NDRREOAAYQBAKY-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336396;MM336396;C#CC(F)=CC(=CC)CO;JQZFFIJVTPNEQN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336397;MM336397;C=CC1(C=C)CC1C(C)F;QXBSAHIKJBJUOR-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336398;MM336398;C#CC(C)=CC(CC)=NN;HXLQJSCHMYZLOP-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336399;MM336399;C=CC1(C=O)CC1C(C)F;WLSGYHHKEOAXHL-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336400;MM336400;C#CC(C)=CC(CC)=NO;TYUQXUGKSVEPDN-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336401;MM336401;C=CC1(C#N)CC1C(C)F;CTLLOPNQLNQJHE-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336402;MM336402;O=c1onc(NC2CC2)o1;CDBCZNUTSDSZHE-UHFFFAOYSA-N;142.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336403;MM336403;CC(F)C1CC1(C#N)C=O;SVYVRAVFPHNVNW-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336404;MM336404;C#CCC1C(O)C1C#CC;GFRUFOMQWZJUPG-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336405;MM336405;CC(F)C1CC1(C#N)C#N;RVFCMQIFLWGMIM-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336406;MM336406;C=C(CC)CCO;IFPAPBFCYGUMJZ-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336407;MM336407;C=CC1(C#N)CC1C(F)F;FCDYDOPEBYHBOF-UHFFFAOYSA-N;143.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336408;MM336408;CN(O)C(=N)C(O)C(=O)O;VXRRFDQNZOHRJH-UHFFFAOYSA-N;148.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336409;MM336409;N#CC1(C=O)CC1C(F)F;IVVWBLVADGRVAI-UHFFFAOYSA-N;145.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336410;MM336410;C=CCCCC(=O)C(=O)O;VGTANVLCLYDART-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336411;MM336411;C=CC1(C=C)CC1N(C)C;RNBCVERPGBOFHI-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336412;MM336412;C#CC(C)=CC(=NC)NC;GDSOIMCKUASNFA-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336413;MM336413;C=CC1(C=O)CC1N(C)C;YWAIZZHHVLXPGQ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336414;MM336414;C#CC(N)=CC(=NO)NO;PBMXJVNGKQEYKB-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336415;MM336415;CN(C)C1CC1(C#N)C=O;DEFZWUROGKGDJC-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336416;MM336416;C#CC(F)=CC(=NC)NC;RBBZIIDQCOGRHG-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336417;MM336417;CN(C)C1CC1(C#N)C#N;CQAAEFINRNYWTC-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336418;MM336418;C=CC1(C=C)NC1C(C)C;GCHGNVVKDZZHQT-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336419;MM336419;C#CC(C)=CC(=CC)OC;SWYIROFSFAKIOP-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336420;MM336420;C=CC1(C=O)NC1C(C)C;NZGCHBZEUNJMNN-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336421;MM336421;C#CC(C)=CC(=CF)OC;XHHXASBBBYSIAB-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336422;MM336422;C=CC1(C#N)NC1C(C)C;PBQMNPRDHUCTKU-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336423;MM336423;C#CC(F)=CC(=CC)OC;TUQDXUQEBJGPJH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336424;MM336424;CC(C)C1NC1(C#N)C=O;QSQCDOWNTBDHFS-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336425;MM336425;C#CC(F)=CC(=CF)OC;BGABXQUKQYXMOZ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336426;MM336426;CC(C)C1NC1(C#N)C#N;ONYBNBJHLNNHSL-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336427;MM336427;CC=C(C)CCO;SZPKMIRLEAFMBV-UHFFFAOYSA-N;100.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336428;MM336428;C=CC1(C=C)NC1C(C)N;LDOFZJYYXVPCLQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336429;MM336429;C#CC(C)=CC(=NO)OC;OPSXSCQKRRPHFB-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336430;MM336430;C#CC(C)=NN=CNN=C;LJSCKXKOZOPJHJ-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336431;MM336431;C#CC1C(C)C1O;KWBSZHODGRLWFV-UHFFFAOYSA-N;96.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336432;MM336432;C=CC(=CC=NN)CCO;RVXBNEWEOATYRG-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336433;MM336433;C=CC(=CC)C=C(C)CC;WFQWNSRFDCSEPW-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336434;MM336434;COC(C=O)C(C#N)=CN;IQWWCPCLTWURCL-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336435;MM336435;C=CC(=CC)C=C(C)CN;UKGKDCRQMFIUBR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336436;MM336436;CC(O)C1NC1(C#N)C=O;UPWLKOXMLUXTLE-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336437;MM336437;C=CC(=CC)C=C(C)CO;UCKZJQRVVVCWTB-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336438;MM336438;CC(O)C1NC1(C#N)C#N;GRSNBDNLWZXGER-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336439;MM336439;C=CC(=CF)C=C(C)CN;OWRPUZHNRCUOEZ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336440;MM336440;C=CC1(C#N)NC1C(C)F;AQIHWXSIPBEMOB-UHFFFAOYSA-N;140.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336441;MM336441;C=CC(=CF)C=C(C)CF;GRUBAYACVQLSRK-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336442;MM336442;CC(F)C1NC1(C#N)C=O;BDVOCXBSTSUZHS-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336443;MM336443;CC(F)C1NC1(C#N)C#N;LKOVBCVWTZJABD-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336444;MM336444;CC=C(C=O)C=C(C)CC;YRPXZNVCPXBDPL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336445;MM336445;C=CC1(C=C)NC1C(F)F;FAZJJCMFPIJDGH-UHFFFAOYSA-N;145.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336446;MM336446;CC=C(C#N)C=C(C)CC;TVIBGXBXHSKCNY-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336447;MM336447;C=CC1(C#N)NC1C(F)F;CYHAUPYWQSVDJJ-UHFFFAOYSA-N;144.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336448;MM336448;CC=C(C=O)C=C(C)CO;ZFCOOLPFXXAPHL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336449;MM336449;CC=C(C#N)C=C(C)CO;OIYUUJVUVMGNRZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336450;MM336450;N#CC1(C=O)NC1C(F)F;RCOJEPNDWJWCKY-UHFFFAOYSA-N;146.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336451;MM336451;CC=C(C=O)C=C(C)CF;ACWBYZKDKPQKJV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336452;MM336452;N#CC1(C#N)NC1C(F)F;OCCPHUVWMBIKMA-UHFFFAOYSA-N;143.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336453;MM336453;CC=C(C#N)C=C(C)CF;NDKHOVXUXCEOIN-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336454;MM336454;C=CC1(C=C)OC1C(C)C;BYWZZBGJKZSUMJ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336455;MM336455;CCC(C)=CC(C=O)=CN;HNRUMKMDLDSROZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336456;MM336456;C=CC1(C=O)OC1C(C)C;VPQSFRVEKXKCCU-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336457;MM336457;CCC(C)=CC(C#N)=CN;DDLKZTAVZPIZKV-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336458;MM336458;C=CC1(C#N)OC1C(C)C;YSQHGHZIDLXWFS-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336459;MM336459;CC(=CC(C=O)=CN)CO;XTOIDYVLHLSTLZ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336460;MM336460;CC(C)C1OC1(C#N)C=O;XWMWAHUMVIJPJQ-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336461;MM336461;CC(=CC(C=O)=CN)CF;AYKXYSSNWIRRTN-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336462;MM336462;CC(C)C1OC1(C#N)C#N;WWEZXIMNDSJOTD-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336463;MM336463;CC(=CC(C#N)=CN)CF;ANAHZKOXQMGJPS-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336464;MM336464;C=CC1(C=C)OC1C(C)O;QULBTQIQUQSORL-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336465;MM336465;CCC(C)=CC(C=O)=CF;OWTDTLMBJMEDSE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336466;MM336466;C=CC1(C=C)OC1C(C)F;NBZJJWUGJGAYTA-UHFFFAOYSA-N;142.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336467;MM336467;CCC(C)=CC(C#N)=CF;ODGHAVPSHOVGCA-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336468;MM336468;C=CC1(C#N)OC1C(C)F;HTYRIBMJWNZCSD-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336469;MM336469;CC(=CC(C#N)=CF)CO;MOKZJVJFJZDWBX-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336470;MM336470;CC(F)C1OC1(C#N)C#N;QXPGBULMGWGLLI-UHFFFAOYSA-N;140.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336471;MM336471;CC(=CC(C#N)=CF)CF;KTZDWMQFEPIKBR-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336472;MM336472;C=CC1(C=C)OC1C(F)F;XAXBMWSOICLHMC-UHFFFAOYSA-N;146.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336473;MM336473;C=CC(=CC)C=C(F)CC;XTUGPKKMQRGDHQ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336474;MM336474;C=CC1(C=C)CN1C(C)C;NIKMDLXHYLWGHY-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336475;MM336475;C=CC(=CF)C=C(F)CC;ODVLQRDMZOZYEZ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336476;MM336476;C=CC1(C=O)CN1C(C)C;NVJZATPTQQOKRI-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336477;MM336477;C=CC(=CF)C=C(F)CO;WWWRUJFTONYKFD-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336478;MM336478;C=CC1(C#N)CN1C(C)C;MDIREPFNBVVULV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336479;MM336479;CC=C(C=O)C=C(F)CC;ZBXGESSEHKUNOB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336480;MM336480;CC(C)N1CC1(C#N)C=O;RQILSBYBXMQEFP-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336481;MM336481;CC=C(C#N)C=C(F)CC;XTVFHUQONKZKCB-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336482;MM336482;CC(C)N1CC1(C#N)C#N;HSOSQTFQRNMNFJ-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336483;MM336483;CC=C(C=O)C=C(F)CO;ZBZYFMPVGGVQMU-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336484;MM336484;C#CC1(C=C)CC1C(C)C;MWWQPFXEJIKAPH-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336485;MM336485;CC=C(C#N)C=C(F)CO;LBSJDARHJHPVLP-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336486;MM336486;C#CC1(C=O)CC1C(C)C;AQBVCCZNKIOHFZ-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336487;MM336487;CC=C(C=O)C=C(F)CF;NHGLDCFVXUXRPV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336488;MM336488;C#CC1(C#N)CC1C(C)C;NIOQIGWBLAVWTD-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336489;MM336489;CC=C(C#N)C=C(F)CF;FGMPCJPKABYIKR-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336490;MM336490;C#CC1(C=C)CC1C(C)N;DZPWYZOYJVQDGA-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336491;MM336491;CCC(F)=CC(C#N)=CN;YZWALRJQYFCKKX-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336492;MM336492;C=NN=C(C)C(C#N)NC;UKZPMMMVCNXUAV-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336493;MM336493;CCC(F)=CC(C=O)=CF;DLFOBKLGVLIVCO-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336494;MM336494;C#CC1(C=O)CC1C(C)O;LUABXVDKAAAKIG-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336495;MM336495;CCC(F)=CC(C#N)=CF;CDJWHYKEIHCLCP-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336496;MM336496;C#CC1(C#N)CC1C(C)O;VVZCZBYJERMNLU-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336497;MM336497;N#CC(=CF)C=C(F)CO;ODFBIPZFBIBZSZ-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336498;MM336498;C#CC1(C=C)CC1C(C)F;HJSAWWZTXYPWOV-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336499;MM336499;O=CC(=CF)C=C(F)CF;KVOPNGUZOUUYKA-UHFFFAOYSA-N;150.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336500;MM336500;C#CC1(C=O)CC1C(C)F;PTVKVIOJAAFHSR-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336501;MM336501;C=CC(=CC)C=C(C)OC;JQBFXQULJSMUIU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336502;MM336502;C#CC1(C#N)CC1C(C)F;MTNMLUMNKVDUJT-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336503;MM336503;C=CC(=CF)C=C(C)OC;GNXNUQUUJDMUNJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336504;MM336504;C#CC1(C=C)CC1C(F)F;VFDGHXYPSUFUHC-UHFFFAOYSA-N;142.15;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336505;MM336505;CC=C(C=O)C=C(C)OC;PWGJSAWJOAMJLI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336506;MM336506;C#CC1(C=O)CC1C(F)F;PWJYLVQWQBHNFD-UHFFFAOYSA-N;144.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336507;MM336507;CC=C(C#N)C=C(C)OC;YNQWVJOBFSZPOR-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336508;MM336508;C#CC1(C=C)CC1N(C)C;ZOOUJSUGVVJFIO-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336509;MM336509;COC(C)=CC(C#N)=CN;AWSABIIKLKOMSF-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336510;MM336510;C#CC1(C#N)CC1N(C)C;YKWLSIJRFXGCCG-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336511;MM336511;COC(C)=CC(C=O)=CF;QRGLSGPUOILYDA-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336512;MM336512;C#CC1(C=C)NC1C(C)C;KGSBKCKXBPMLIL-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336513;MM336513;COC(C)=CC(C#N)=CF;VPXBCYBGCROTOJ-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336514;MM336514;C#CC1(C=O)NC1C(C)C;HUAGWMVFOUDCJS-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336515;MM336515;C#CC1(C#N)NC1C(C)C;LYUUBUIUKGWBOJ-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336516;MM336516;C=CC(C=C(C)CC)=NN;XMQQYCVWVRRXFX-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336517;MM336517;C#CC1(C=C)NC1C(C)N;ZNOIFEXBLUDILG-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336518;MM336518;C=C(CCC)CCO;BWROKMCJAGKDDI-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336519;MM336519;CCNc1coc(CF)n1;TWICBJWPHHOWOB-UHFFFAOYSA-N;144.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336520;MM336520;C=CC(C=C(C)CF)=NN;NNPGNMVRVQVCBL-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336521;MM336521;C=CC1C=C(CO)C(C)C1;IWXSIPJQGOLFMB-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336522;MM336522;C=C(CCO)CCF;VACBSKXNJZJUJU-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336523;MM336523;CCC12CC(C=O)CN1C2;IOYPFFXQVNIZMU-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336524;MM336524;CCC=C(C)CCO;BQURYLHIDQYWFD-UHFFFAOYSA-N;114.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336525;MM336525;C#CC1(C=C)NC1C(C)F;BEMPZLJMXCOEJX-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336526;MM336526;C=CC(C=C(C)CF)=NO;OLCBWVSAQPLNQM-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336527;MM336527;C#CC1(C=O)NC1C(C)F;QUFWJROPCBGERU-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336528;MM336528;CC(=CCF)CCO;OCPRKGHEKUEYOX-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336529;MM336529;C#CC1(C#N)NC1C(C)F;QBPHCAOVNFYLDO-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336530;MM336530;NC(=CC(C=O)=NO)CO;ACBYVRMGWRWKMQ-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336531;MM336531;C#CC1(C=C)NC1C(F)F;ONKVIOKHUJWKFD-UHFFFAOYSA-N;143.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336532;MM336532;CC(C)n1oc(O)nc1=O;WORFMGRCFYNZOZ-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336533;MM336533;C#CC1(C=O)NC1C(F)F;SHNWFWSRMVRJTM-UHFFFAOYSA-N;145.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336534;MM336534;C=CC(C=C(F)CC)=NN;GSMFGZOYABIXID-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336535;MM336535;C#CC1(C#N)NC1C(F)F;SHGBZRFNJVTAJJ-UHFFFAOYSA-N;142.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336536;MM336536;N#CC(=O)CC1CN1;SKBKAHNCASETSV-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336537;MM336537;C#CC1(C=C)OC1C(C)C;INHZGRGFQKKBFH-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336538;MM336538;C=CC(C=C(F)CF)=NN;KLJGUXILZGVFGM-UHFFFAOYSA-N;146.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336539;MM336539;C#CC1(C=O)OC1C(C)C;HIBMQIWQOXXPLA-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336540;MM336540;C=CC(C=C(F)CC)=NO;HYIJMLUCTRWQPQ-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336541;MM336541;C#CC1(C#N)OC1C(C)C;SPNBFEZIBKOMFN-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336542;MM336542;C#CC1(C=C)OC1C(C)N;MUXRMVCQROQQAP-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336543;MM336543;CC(=O)C(=O)C(=O)CC=O;PWFZHRSSKARVCC-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336544;MM336544;C#CC1(C=C)OC1C(C)O;WLDDTOQSXHOHAG-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336545;MM336545;C=CC(=O)OCC(=O)O;JYSWMLAADBQAQX-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336546;MM336546;C#CC1(C=O)OC1C(C)O;ATKVNPUXUISCLO-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336547;MM336547;C=CC(=CC(C)=NC)NN;DEKCLEAFMZCCGV-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336548;MM336548;C#CC1(C=O)OC1C(C)F;RRXNICODVJURAB-UHFFFAOYSA-N;142.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336549;MM336549;C=CC(=CC(C)=NC)NO;IUWQTXNIRIRNAB-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336550;MM336550;C#CC1(C#N)OC1C(C)F;PSEBUVXHDSIUMJ-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336551;MM336551;C=CC(=CC(=N)NC)NO;ZGIVNHSLORPEET-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336552;MM336552;C#CC1(C=C)CN1C(C)C;BVJGMYPHXACULW-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336553;MM336553;CN=C(N)C=C(C=O)NO;TXJYALQJEVXWFC-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336554;MM336554;C#CC1(C=O)CN1C(C)C;HLKZHRDJLBNSSX-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336555;MM336555;CNC(=N)C=C(C#N)NO;XWCWTAIISNQAGQ-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336556;MM336556;C#CC1(C#N)CN1C(C)C;LEHDNOOAQHORAZ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336557;MM336557;C=CC(C=C(C)OC)=NN;VHFAEGOZWIDIDI-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336558;MM336558;C#CC1(C#C)CC1C(C)C;BMUPZMXITYAJDN-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336559;MM336559;C=CC(C=C(C)OC)=NO;IHNZERAHASWUPW-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336560;MM336560;C#CC1(C#C)CC1C(C)N;CJTBJUIOPDAXNQ-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336561;MM336561;CC(C)(C)C=CC(N)=O;QINKKWBWOHXHHL-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336562;MM336562;C=CC1CC=C(CO)C1C;KYJDZSZZQMEQBZ-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336563;MM336563;C=CC(C)=CC(C=C)=CC;RGUAOWYRMXBPQA-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336564;MM336564;C#CC1(C#C)CC1C(C)F;IYUXJXRCWFWLBX-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336565;MM336565;C=CC(C=C(C)C=O)=CC;CKBPDGPWSIESBV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336566;MM336566;C#CC1(C#C)CC1C(F)F;CPNCAZGODZKDPB-UHFFFAOYSA-N;140.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336567;MM336567;C=CC(C=C(C)C#N)=CC;SSBVOSRPSJWLBJ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336568;MM336568;C#CC1(C#C)CC1N(C)C;PHKYTGYTWYXJOG-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336569;MM336569;C#CC1(C#C)NC1C(C)C;FPFLCHZDDAMOIS-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336570;MM336570;C=CC(C=C(C)C=O)=CF;BRFCFELXOVXJMY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336571;MM336571;C#CC1(C#C)NC1C(C)N;QTOJWSZLHUWJAH-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336572;MM336572;C=CC(C)=CC(C=O)=CC;CRFMYMYBPBNOON-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336573;MM336573;CC1C(CO)=CCC1C=O;SWOCFWDOTWTZAK-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336574;MM336574;C=CC(C)=CC(C#N)=CC;BEYOIVIWZJZSMS-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336575;MM336575;C#CC1(C#C)NC1C(C)F;JAPDSGKEMPOMGS-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336576;MM336576;CC=C(C#N)C=C(C)C=O;ZHFJDYMKLIEYJA-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336577;MM336577;C#CC1(C#C)NC1C(F)F;LTFABXJENSKWKI-UHFFFAOYSA-N;141.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336578;MM336578;CC=C(C=O)C=C(C)C#N;IHBLPYPHDVAVMN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336579;MM336579;C#CC1(C#C)OC1C(C)C;ILIFLXIMDCPTBP-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336580;MM336580;CC=C(C#N)C=C(C)C#N;HDNVFWCVRSYAFR-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336581;MM336581;C#CC1(C#C)OC1C(C)N;HFGYGAADTUJIFJ-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336582;MM336582;C=CC(C)=CC(C#N)=CN;DCROIWCIVVDTHX-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336583;MM336583;C#CC1(C#C)OC1C(C)O;BRSOHLNENOQDKJ-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336584;MM336584;CC(C=O)=CC(C=O)=CN;VGWWAAWQGGPITE-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336585;MM336585;C#CC1(C#C)CN1C(C)C;XOXRHVQNTLFKRG-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336586;MM336586;CC(C#N)=CC(C#N)=CN;MLDACYAXXOBYBN-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336587;MM336587;C=C(C)C1CC1(CC)CC;PEPGRWQRXDGGEP-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336588;MM336588;C=CC(C)=CC(C#N)=CF;RVXDGWLYJZSGOF-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336589;MM336589;C=C(C)C1CC1(CC)CN;NYJHTNHPSTTWQV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336590;MM336590;CC(C=O)=CC(C=O)=CF;JWMLLIISTUXRSS-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336591;MM336591;C=CC1CCC(CO)=C1C;IIWDZGDPGLGHFG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336592;MM336592;CC(C#N)=CC(C=O)=CF;CRGLXYHFJHGNTQ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336593;MM336593;C=C(C)C1CC1(CN)CN;VAGDAKKRUHQURI-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336594;MM336594;CC(C=O)=CC(C#N)=CF;GEFSSWFTSACAOX-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336595;MM336595;CCC1(CC)CC1C(C)=O;QVNXDVDOCIHGKM-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336596;MM336596;CCC1(CO)CC1C(C)=O;ROLYFCOSJKQOQT-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336597;MM336597;CC(C#N)=CC(C#N)=CF;CNRYXABRCOUANG-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336598;MM336598;CCC1(CC)CC1C(=N)N;BSGIWEPERAOSIW-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_P2";;;;;;;1.8;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336599;MM336599;C=CC(F)=CC(C=C)=CC;GSIHRHWQMBXENQ-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336600;MM336600;CCC1(CN)CC1C(=N)N;HOYUSNVTKKUEDN-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336601;MM336601;C=CC(C=C(F)C=O)=CC;QTUAENSIPLDKRF-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336602;MM336602;C=c1cc2c(o1)=NNC2=N;ROTLXULVXNBNHS-UHFFFAOYSA-N;135.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336603;MM336603;C=CC(C=C(F)C#N)=CC;OKXJQZBTPDNLNB-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336604;MM336604;CCC1(CN)CC1C(N)=O;LJQOGSKKSBGGGJ-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336605;MM336605;C=CC(C=C(F)C=O)=CF;UFCCFQSJJKCHKU-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336606;MM336606;CCC1(CO)CC1C(N)=O;BPPSHVANHWLSMB-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336607;MM336607;C=CC(C=C(F)C#N)=CF;ZMXULQKNQOFQFU-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336608;MM336608;CCC(C=O)C1NC1C=O;PRQVFUBLOVKSCG-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336609;MM336609;C=CC(F)=CC(C=O)=CC;ZACBTZUMXWVRMO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336610;MM336610;NCC1(CN)CC1C(N)=O;QCXQSHSZRSIJAB-UHFFFAOYSA-N;143.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336611;MM336611;C=CC(F)=CC(C#N)=CC;SAUBHAWPPRRGOI-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336612;MM336612;CCC1(CC)CC1C(=O)O;VVIHKNHVJCKLQQ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC1_P1";;;;;;;2.08;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336613;MM336613;CC=C(C=O)C=C(F)C=O;VSSGFKBIXHWDKO-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336614;MM336614;N#Cc1ncc(O)o1;CQYRMJGRXJWLNS-UHFFFAOYSA-N;110.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336615;MM336615;CC=C(C#N)C=C(F)C=O;DTUKCFBNINSQGO-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336616;MM336616;C=C(F)C1CC1(CC)CC;JNJIAFIFIRVLNF-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336617;MM336617;CC=C(C=O)C=C(F)C#N;GHKKLOJRIRADDP-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336618;MM336618;C=C(F)C1CC1(CC)CN;AOVUEKKWYIEUIW-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336619;MM336619;CC=C(C#N)C=C(F)C#N;ROCAPHBXYDCMLM-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336620;MM336620;C=C(F)C1CC1(CC)CO;GLNOEPACUVQWIX-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336621;MM336621;C=CC(F)=CC(C=O)=CN;LEIJQQHWQODFDM-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336622;MM336622;C=C(F)C1CC1(CN)CN;ASSFUKCQHRZMNF-UHFFFAOYSA-N;144.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336623;MM336623;C=CC(F)=CC(C#N)=CN;VKGMJXVCESCRPN-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336624;MM336624;C=C(F)C1CC1(CN)CO;JIVKMPLZRVHJSY-UHFFFAOYSA-N;145.18;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336625;MM336625;C=C(C)C1CC1(CC)NC;KWCHWJZJGSPDGS-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336626;MM336626;N#CC(F)=CC(C#N)=CN;CVXXYMCORIDATJ-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336627;MM336627;C=C(C)C1CC1(CN)NC;CNUINQIGXGDPRP-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336628;MM336628;C=CC(F)=CC(C=O)=CF;POLAGCFJCQADBX-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336629;MM336629;CCC1(NC)CC1C(C)=O;YCKJAGRNALAESX-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336630;MM336630;C=CC(F)=CC(C#N)=CF;ADEBZNVRMIZMJI-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336631;MM336631;CCC1(NC)CC1C(=N)N;WFVHVPGSGXQLLI-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336632;MM336632;N#CC(C=C(F)C=O)=CF;QKMGXFZESPSJHB-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336633;MM336633;CNC1(CN)CC1C(=N)N;OWMQOZWVNXPTAD-UHFFFAOYSA-N;142.21;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336634;MM336634;N#CC(F)=CC(C=O)=CF;JLZAGBXKGHCJBR-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336635;MM336635;CCC1(NC)CC1C(N)=O;FZHJUKOYGOCDPC-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336636;MM336636;N#CC(F)=CC(C#N)=CF;ZGVSRGYPSIQROP-UHFFFAOYSA-N;140.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336637;MM336637;CNC1(CN)CC1C(N)=O;DZOTYYHAHKLWAV-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336638;MM336638;C=CC(C)=CC(C=C)=NN;VNDBAUQVZNPHRJ-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336639;MM336639;C=C(F)C1CC1(CC)NC;FOUSAUZVGGXRPA-UHFFFAOYSA-N;143.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336640;MM336640;CC(C)CC=CC(N)=O;GTPGJHZHLTWXKH-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336641;MM336641;C=C(F)C1CC1(CN)NC;HWRFRDHOYOTQST-UHFFFAOYSA-N;144.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336642;MM336642;C=CC(C=C(C)C=O)=NO;CGCVMNAZUFIGAG-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336643;MM336643;C=C(F)C1CC1(CN)OC;XWKGOYRFVJGNNP-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336644;MM336644;C=CC(C)=CC(C=O)=NO;CZGIUVGERMSKBM-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336645;MM336645;C=C(C)C1NC1(CC)CN;RDZXUPXPLFXKSB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336646;MM336646;C=C(CCO)CC(F)F;XNFNBXBZWPUBHQ-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336647;MM336647;C#CC(=CC)C1CC1CO;VDDXCSUZJFYUCP-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336648;MM336648;C=CC(C=C(N)C#N)=NO;QOAAYFPHAABQJQ-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336649;MM336649;CCC1(CC)NC1C(=N)N;FHFROVGAYOPDKK-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336650;MM336650;CCC1(CN)NC1C(=N)N;ZXDSMAWMAJUKOR-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336651;MM336651;NC(C=O)=CC(C=O)=NO;QNVWBTFCDBLMNQ-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336652;MM336652;N=C(N)C1NC1(CN)CN;BLIYMVSDHMSOJO-UHFFFAOYSA-N;143.19;-2.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336653;MM336653;C=CC(F)=CC(C=C)=NN;UDBKUXILSKYQIG-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336654;MM336654;NN=CNN=c1onno1;JTHDDLAEUFQOSD-UHFFFAOYSA-N;144.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336655;MM336655;C=CC(F)=CC(C=C)=NO;WLBAHXACXNKILZ-UHFFFAOYSA-N;141.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336656;MM336656;CCC1(CN)NC1C(N)=O;GXDRINLDSAUXNR-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336657;MM336657;O=C(O)C(CO)=C(F)CO;GQSMKRGHDHYYCA-UHFFFAOYSA-N;150.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336658;MM336658;NCC1(CN)NC1C(N)=O;WEKLHYCKKFRKFF-UHFFFAOYSA-N;144.18;-2.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336659;MM336659;C#CC(C)=CC(C=C)=CC;IVVJGHLGJJOYLU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336660;MM336660;CC=Cn1ncc(O)n1;OHRCDUSHJPAUBA-UHFFFAOYSA-N;125.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336661;MM336661;C#CC(C)=CC(C=C)=CF;GDGSEPKXCSMFHS-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336662;MM336662;C=C(F)C1NC1(CC)CC;SKWHDHTXVJQADM-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336663;MM336663;C#CC(C)=CC(C=O)=CC;IAGUXRAOMCAJCO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336664;MM336664;C=C(F)C1NC1(CC)CN;NQOAYBXQYGHVEN-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336665;MM336665;C#CC(C)=CC(C#N)=CC;XBPVSEDZTKDPGM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336666;MM336666;C=C(C)C1OC1(CC)CC;ZTCHQDVKKQFLOR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336667;MM336667;C#CC(C)=CC(C=O)=CN;AOMGBXNZIIHHHA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336668;MM336668;CCC1(CC)OC1C(=N)N;YXTFVSFYGXHAFW-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336669;MM336669;C#CC(C)=CC(C#N)=CN;KNMKABJQRHAQFW-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336670;MM336670;CCC1(CC)OC1C(N)=O;GJVDCTSPJIDXKH-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336671;MM336671;C#CC(C)=CC(C=O)=CF;HSHRGSDQXAMVOA-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336672;MM336672;CCC1(CN)OC1C(N)=O;ZYJUUMFJMOLTBV-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336673;MM336673;C#CC(C)=CC(C#N)=CF;CMZIIUFNKHTAQK-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336674;MM336674;NCC1(CN)OC1C(N)=O;WWQJGFIFMSGCGS-UHFFFAOYSA-N;145.16;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336675;MM336675;C#CC(F)=CC(C=C)=CC;UBWKQPLFVJFMGT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336676;MM336676;C=C(F)C1OC1(CC)CC;STOMVYKBALICQM-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336677;MM336677;C#CC(F)=CC(C=C)=CF;IGJSHWMSYBCWEO-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336678;MM336678;C=C(F)C1OC1(CC)CN;UTDVORVCKJGEJC-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336679;MM336679;C#CC(F)=CC(C=O)=CC;AJUPPRGZKXBZAF-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336680;MM336680;CCC1(CC)CN1C(C)=N;HUDOXPFLDGYTGL-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336681;MM336681;C#CC(F)=CC(C#N)=CC;PXIPPXYXKSKFPJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336682;MM336682;CCC1(CC)CN1C(C)=O;CTSVOPMXALZYLG-UHFFFAOYSA-N;141.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336683;MM336683;C#CC(F)=CC(C=O)=CN;ZEYNIZWCASBYDY-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336684;MM336684;CCC1(CN)CN1C(C)=O;VTCIAUWPOPTGAH-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336685;MM336685;C#CC(F)=CC(C#N)=CN;KPGAFPPJIPFORF-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336686;MM336686;C#CC(F)=CC(C#N)=CF;QPYLZNVSTOZPDD-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336687;MM336687;CC(=O)N1CC1(CN)CN;HBZWCDUYTYHFJX-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336688;MM336688;C#CC(C)=CC(C=C)=NN;MVMGVHVHWBHOMC-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336689;MM336689;CCC1(CC)CN1C(=N)N;MFHYVJDNBPMXRY-UHFFFAOYSA-N;141.22;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336690;MM336690;C#CC(C)=CC(C=C)=NO;UYOADYGGGQVCDU-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336691;MM336691;CC(C=O)C1C(C)N1C=O;JRRRSQINCQCQQQ-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336692;MM336692;CCc1onc(F)c1O;WSRBKIDHCPAFBQ-UHFFFAOYSA-N;131.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336693;MM336693;C=CC1(CC)CC1C(=C)C;LBCGBWWWQCSECJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336694;MM336694;C#CC(F)=CC(C=C)=NN;QDXBDXFAKWUZMZ-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336695;MM336695;C=C(C)C1CC1(C=O)CC;ZVBHVWCMVMARMW-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336696;MM336696;C#CC(F)=CC(C=C)=NO;KJMFEPUAECEYMM-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336697;MM336697;C=C(C)C1CC1(C#N)CC;VWKHESIJEQXTHF-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336698;MM336698;O=C(O)C(F)C(O)CCO;AGQFEENKOOEVSF-UHFFFAOYSA-N;152.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336699;MM336699;C=CC1(CN)CC1C(=C)C;GVEGYVVEKJQOAX-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336700;MM336700;C#CC(=CC)C=C(C)CC;RPZWEVCYUKYQCT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336701;MM336701;C=NNC=NN=CC=NN;GHXJIMZBLPZFAL-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336702;MM336702;C#CC(=CC)C=C(C)CN;GEZDOQQRDLGGTK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336703;MM336703;C=C(C)C1CC1(C=O)CO;YVCLBLOWUNOQPT-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336704;MM336704;C#CC(=CC)C=C(C)CO;WTMNREAEUNNKOZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336705;MM336705;C=C(C)C1CC1(C#N)CO;KSPGMPVVDABGHC-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336706;MM336706;C#CC(=CC)C=C(C)CF;STXWDZDCUWUHMP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336707;MM336707;C=C(C)C1CC1(C#N)CF;HTPTWBVGWXEFBZ-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336708;MM336708;C#CC(=CF)C=C(C)CC;LWTRWYVSVABUOI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336709;MM336709;C=CC1(CC)CC1C(C)=O;AHGXLQSGTRYGNY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336710;MM336710;C#CC(=CF)C=C(C)CF;DHVGXKUISULTFN-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336711;MM336711;CCC1(C=O)CC1C(C)=O;RBHVYHHXESRAPI-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336712;MM336712;C#CC(=CC)C=C(F)CC;IXHZMVODHKXROA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336713;MM336713;CCC1(C#N)CC1C(C)=O;BWQGSAGQSVVSSL-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336714;MM336714;C#CC(=CF)C=C(F)CC;QRCPILMJJUVJMI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336715;MM336715;C=CC1(CO)CC1C(C)=O;OPCRJKYBTKGTJC-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336716;MM336716;C#CC(=CF)C=C(F)CF;IIRAUFAQXZVKIB-UHFFFAOYSA-N;146.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336717;MM336717;C=CC1(CF)CC1C(C)=O;GZGWRQWVCOPWSS-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336718;MM336718;C#CC(=CC)C=C(C)OC;FUWDNZOYWOHNSJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336719;MM336719;CC(=O)C1CC1(C#N)CF;FFYSLVFTCLHGSH-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336720;MM336720;C#CC(=CF)C=C(C)OC;XRZXFSCVTASWLI-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336721;MM336721;C=CC1(CC)CC1C(=N)N;QQXMLEVUSCNFTC-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336722;MM336722;C#CC(C=C(C)CC)=NN;USDOQCSXNNRMFW-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336723;MM336723;CCC1(C=O)CC1C(=N)N;UTZNBKIHIGICEE-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336724;MM336724;CCC(C)C=CC(N)=O;YGXPYUPSKSQXSO-UHFFFAOYSA-N;127.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336725;MM336725;CCC1(C#N)CC1C(=N)N;QIVXFLFWOMOXAH-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336726;MM336726;C#CC(C=C(C)CC)=NO;HQIOEDMBONRYIW-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336727;MM336727;C=CC1(CN)CC1C(=N)N;ZRFMIDUQCPUXTJ-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336728;MM336728;C#CC(C=C(C)CO)=NO;NSOBHCWSLCTEAF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336729;MM336729;C=CC1(CO)CC1C(=N)N;PUOCLWOCQGQWKO-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336730;MM336730;N#CC1(CO)CC1C(=N)N;QAIUACVDGRSKOT-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336731;MM336731;C=C(CCO)CCCC;ZPLYSVMRQUOURS-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336732;MM336732;N#CC1(CF)CC1C(=N)N;IUZQYFXAIXXJKX-UHFFFAOYSA-N;141.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336733;MM336733;C=CCCC(=C)CCO;AGVSLWNSTURZLY-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336734;MM336734;CCC12C=CC(C=O)C1N2;NQNPYPCTLFMGNH-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336735;MM336735;C#CC(C=C(F)CC)=NO;FMDJWCDLTOYNHP-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336736;MM336736;C=CC1(CN)CC1C(N)=O;VACWIPRFYRMEDN-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336737;MM336737;C#CC(=CC(C)=NC)NN;QQJRTPIELMNGFX-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336738;MM336738;C=CC1(CO)CC1C(N)=O;MMOQXGWJKUEUCN-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336739;MM336739;C#CC(=CC(C)=NC)NO;GOTSKCJYBMIDFC-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336740;MM336740;C=CC1(CF)CC1C(N)=O;UEXJECYCYHKCBH-UHFFFAOYSA-N;143.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336741;MM336741;C#CC(=CC(=N)NC)NN;DNLMRKGGHWIDAY-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336742;MM336742;N#CC1(CF)CC1C(N)=O;KBSUYWQZRZAINI-UHFFFAOYSA-N;142.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336743;MM336743;C#CC(=CC(=N)NC)NO;QMJCBPGHLMDVSP-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336744;MM336744;C=CC1(CC)CC1C(=O)O;YIYNUJCXJWAVTL-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336745;MM336745;C#CC(C=C(C)OC)=NN;DZBQCQKUGMUEJW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336746;MM336746;C=Cn1ncc(O)n1;ZLYREWZTRMFZAM-UHFFFAOYSA-N;111.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336747;MM336747;C#CC(C=C(C)OC)=NO;CCIOJZKXNASEKO-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336748;MM336748;CCC1(C#N)CC1C(=O)O;XAOGJERDGPBWAO-UHFFFAOYSA-N;139.15;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336749;MM336749;C#CC(C=C(C)C=C)=CC;NAYNPLIROWSZBX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336750;MM336750;CCNC(=O)C=CC(=O)O;HBQGCOWNLUOCBU-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336751;MM336751;C#CC(C=C(C)C=O)=CC;LHQMUEHGFVRELY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336752;MM336752;O=c1[nH][nH]nnc1=NO;WWNZBRBVMABSJU-UHFFFAOYSA-N;129.08;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336753;MM336753;C#CC(C=C(C)C#N)=CC;LSBBFRDPRIFKLZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336754;MM336754;C=CC1(CF)CC1C(=O)O;VBTXHQNDLNWHDV-UHFFFAOYSA-N;144.15;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336755;MM336755;C#CC(C=C(C)C=C)=CF;BGKFDPCPLLRRJO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336756;MM336756;N#CC1(CF)CC1C(=O)O;ULFZKTMCJIIVAE-UHFFFAOYSA-N;143.12;0.57;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336757;MM336757;C#CC(C=C(C)C=O)=CF;LXXVFPJUMOSHDL-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336758;MM336758;C=CC1(CC)CC1C(=C)F;LVEYUUXKYXYZND-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336759;MM336759;C=C(F)C1CC1(C#N)CC;FOUUHDSUXGXGJS-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336760;MM336760;C#CC(C=C(C)C#N)=CF;FJQKNWRAAUIEMD-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336761;MM336761;C=CC1(CN)CC1C(=C)F;CLGVRSSGAHYPEP-UHFFFAOYSA-N;141.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336762;MM336762;C#CC(C=C(F)C=C)=CC;ITQNAKGXWLQTMU-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336763;MM336763;C=C(F)C1CC1(C#N)CO;SJVGDJMFWQUYGW-UHFFFAOYSA-N;141.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336764;MM336764;C#CC(C=C(F)C=O)=CC;SBJXIKDPKITUJU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336765;MM336765;C=CC1(CF)CC1C(=C)F;IJMJZKVYDNYNNW-UHFFFAOYSA-N;144.16;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336766;MM336766;C#CC(C=C(F)C#N)=CC;YCOOQKUFAJJASW-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336767;MM336767;C=CC1(NC)CC1C(=C)C;FIZPCBLEHQLRSW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336768;MM336768;C#CC(C=C(F)C=C)=CF;YGMRGPTYCTURMG-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336769;MM336769;C=C(C)C1CC1(C#N)NC;QFWWGQKPQAFRAZ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336770;MM336770;C#CC(C=C(C)C=C)=NN;ZBWRWVBCDAMMRA-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336771;MM336771;C=CC1(NC)CC1C(C)=O;GXVYAJRHVVWYOZ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336772;MM336772;C#CC(C=C(C)C=C)=NO;NEVNFHRVOHRYLT-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336773;MM336773;CC(C)CCO;PHTQWCKDNZKARW-UHFFFAOYSA-N;88.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336774;MM336774;C#CC(C=C(C)C#N)=NO;PRZGWNPFLZBFQR-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336775;MM336775;C=CC1(NC)CC1C(=N)N;UMYANEYQNIVIQF-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336776;MM336776;C#CC(C=C(F)C=C)=NN;QQGUCFCLSXPNTC-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336777;MM336777;CNC1(C=O)CC1C(=N)N;OUUNBUZBBJYGPW-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336778;MM336778;C#CC(C=C(F)C=C)=NO;APOBWSPFACMLOZ-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336779;MM336779;CNC1(C#N)CC1C(=N)N;NZYCWGDEEUIRBQ-UHFFFAOYSA-N;138.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336780;MM336780;C#CC(C)=CC(C#C)=CC;CNAAXCFGYHLPGD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336781;MM336781;C=CC1(NC)CC1C(N)=O;SJYODXASNDFQBO-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336782;MM336782;C#CC(C)=CC(C#C)=CF;DKBDANVNDSNLDG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336783;MM336783;C=NN1CC(=O)C1;FXORFEWCNFRQJK-UHFFFAOYSA-N;98.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336784;MM336784;C=C(CO)C(=NO)C(F)F;UUPZEFKLARFRGB-UHFFFAOYSA-N;151.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336785;MM336785;C#CC(F)=CC(C#C)=CC;ALOZNQVPJVIEKL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336786;MM336786;C=CC1(NC)CC1C(=C)F;JZPJDIPTVUPCOT-UHFFFAOYSA-N;141.19;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336787;MM336787;C#CC(F)=CC(C#C)=CF;YZCWXVVVVLFYOQ-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336788;MM336788;C=C(F)C1CC1(C#N)NC;JNQNEOKMSDASHY-UHFFFAOYSA-N;140.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336789;MM336789;C#CC(C)=CC(C#C)=NN;MNYOQRKAVIJJFJ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336790;MM336790;C=CC1(OC)CC1C(=C)C;IMVGCQCBHBUAGK-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336791;MM336791;C#CC(C)=CC(C#C)=NO;CTYCXPQDSHHRFZ-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336792;MM336792;C=C(C)C1CC1(C#N)OC;RVPPUEJKNOJLSU-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336793;MM336793;C#CC(F)=CC(C#C)=NN;LMTCWGNLICUCAO-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336794;MM336794;C=CC1(OC)CC1C(C)=O;BZLUCBHYYOGEDO-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336795;MM336795;CCC(=CC(C)CC)CC;NQPCRMAEHAOPQV-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336796;MM336796;COC1(C#N)CC1C(C)=O;AJDRCFDRYKVDRH-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336797;MM336797;CCC(=CC(C)CN)CC;ISWPEUAXNZSJJY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336798;MM336798;C=CC1(OC)CC1C(=N)N;ALHWLMDIJKDOKN-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336799;MM336799;C#CCCC(=C)CCO;NOTUFLNZORFMHN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336800;MM336800;COC1(C#N)CC1C(=N)N;BQTIHWAAUBVVGD-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336801;MM336801;CCC(=CC(C)CF)CC;UVWXUOKJVBJVBS-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336802;MM336802;C=CC1(OC)CC1C(N)=O;WDEQOASGPBOGAZ-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336803;MM336803;CCC(=CC(C)CC)CN;SSLSVFPSGAGCIF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336804;MM336804;COC1(C#N)CC1C(N)=O;XCXBUXGRXWDYII-UHFFFAOYSA-N;140.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336805;MM336805;CCC(=CC(C)CO)CN;KDRVEHKEZRRDLD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336806;MM336806;C#CC=CC(=NN)C(=O)O;JIHWHBAOKXJDDQ-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336807;MM336807;CCC(=CC(C)CF)CN;JNJWTCQOMDCJIB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336808;MM336808;C=CC1(OC)CC1C(=C)F;VFNMLXAPVJBMIK-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336809;MM336809;C=C(CC#CC)CCO;HSPROKJZOHXQSF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336810;MM336810;C=C(F)C1CC1(C#N)OC;AHHYEVSZPPHTGJ-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336811;MM336811;CCC(=CC(C)CC)CF;UGGGHFFEXJRYJA-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336812;MM336812;C=CC1(CC)NC1C(=C)C;WGSJWLCUPNTGDQ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336813;MM336813;CCCC=C(C)CCO;JTWTYCHOXSBENH-UHFFFAOYSA-N;128.22;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336814;MM336814;C=C(C)C1NC1(C#N)CC;LUDOFIBJNSBWHH-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336815;MM336815;C=CC1(CN)NC1C(=C)C;WAUVSUMRRIGFSH-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336816;MM336816;CC(C=C(CN)CN)CN;SPZULXWZMSLLSQ-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336817;MM336817;C=CC=NOCC(C)=O;UVPRYXJPNMKFML-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336818;MM336818;CC(C=C(CN)CN)CO;KXWJAOWNGCLJMO-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336819;MM336819;C=NNC=NN=C(C)C;GDDUIKZYVGGBJT-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336820;MM336820;CCC(C)C=C(CN)CO;OQRJSPIXSCWCBL-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336821;MM336821;C=NNCC(=O)C(=C)F;YPXRCNZXZLFDHR-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336822;MM336822;CC(C=C(CN)CO)CN;CKAICACMAKCODM-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336823;MM336823;COC(=N)NN=CC=O;HOOWNVPHNYZUDM-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336824;MM336824;CC(C=C(CN)CO)CO;KGMRWHLPLYTIST-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336825;MM336825;C=CC#CCC(C)CO;PNSBHVFBSGQGPR-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336826;MM336826;CCC(C)C=C(CN)CF;OFFNCMSSQMLXKR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336827;MM336827;CC(=O)C1NC1(C#N)CO;HOBLFUHCANKDDD-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336828;MM336828;CC(C=C(CN)CF)CF;HDNKYYRCWNICCA-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336829;MM336829;C=CC(CCO)C(C)C;WEVPJLKXFKOPCX-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336830;MM336830;CC(C=C(CO)CF)CO;GBUBWJAOIRJGFV-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336831;MM336831;C=CC1(CC)NC1C(=N)N;AWCCGXQHCPQDPC-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336832;MM336832;CC(=CCC#N)CCO;PQYBSZPLOJOXLF-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336833;MM336833;CCC1(C=O)NC1C(=N)N;FNJUAIHDYPVQLH-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336834;MM336834;CCC(=CC(N)CC)CC;QCYAUDSIBLVZCX-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336835;MM336835;CCC1(C#N)NC1C(=N)N;OHIUJWLWAHQJDB-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336836;MM336836;CCC(=CC(N)CN)CC;ATUVPZCAYMIZBN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336837;MM336837;C=CC1(CN)NC1C(=N)N;PCAHLIUVCKGJAP-UHFFFAOYSA-N;140.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336838;MM336838;CCC(=CC(N)CO)CC;KADCCNHFDNKYQQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336839;MM336839;N#CC1(CO)NC1C(=N)N;OUQKCZYSOHYWME-UHFFFAOYSA-N;140.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336840;MM336840;CCC(=CC(N)CF)CC;MNTVFTKKHSCOJW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336841;MM336841;C=CC1(CF)NC1C(=N)N;DCSCFPFPSWZONW-UHFFFAOYSA-N;143.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336842;MM336842;N#CC1(CF)NC1C(=N)N;MWSRGDGDONWFDV-UHFFFAOYSA-N;142.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336843;MM336843;CCC(=CC(N)CN)CN;OJRCOHBBMMDHGZ-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336844;MM336844;CC(C)C1=CC(O)CC1;WOFDGYXAFHSFPE-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336845;MM336845;CCC(=CC(N)CO)CN;JZEYLGUFOHPJKU-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336846;MM336846;C#CC(=C)C1CC1CO;OKULSWHAWVXVAD-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336847;MM336847;CCC(=CC(N)CF)CN;WDVIXHUWJJWMOV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336848;MM336848;C=CC1(CN)NC1C(N)=O;QDWNASKAUDTJSX-UHFFFAOYSA-N;141.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336849;MM336849;CCC(=CC(N)CO)CO;ZALMYTQTOLOHQF-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336850;MM336850;C=NNC=NN=CCC;PVEOLJPEJYQJCF-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336851;MM336851;CCC(=CC(N)CC)CF;ZPKRXIJJTMUBHW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336852;MM336852;C=C(F)C=NOCC(=O)O;OUAQDWXAQMNEQH-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336853;MM336853;CCC(=CC(N)CF)CF;RIYZZKXSNRQMPO-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336854;MM336854;N=c1nc(O)c(=O)n(O)o1;MVJNIZQEYXRZNO-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336855;MM336855;CCC(N)C=C(CN)CN;ZHDBXBCVJIZOAC-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336856;MM336856;C=C(C)N=C(NO)C(=O)O;DRHWOQGLAYPLBD-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336857;MM336857;NCC(=CC(N)CO)CN;YFGCIHMSPDSCKQ-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-9.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336858;MM336858;CC=CN=C(NO)C(=O)O;DHQUJWQXYCPMKF-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336859;MM336859;NCC(=CC(N)CF)CN;ORISUBGJTFTKQE-UHFFFAOYSA-N;147.2;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336860;MM336860;C#CCC1=NC(=CO)C=N1;HGIRILHWMOHLIQ-UHFFFAOYSA-N;134.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336861;MM336861;CCC(N)C=C(CN)CO;UWFVMWGMIKHXKG-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336862;MM336862;C=CC1(CC)NC1C(=C)F;NYNFLTLZSPEBSW-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336863;MM336863;NCC(=CC(N)CN)CO;CXLYKXDTFGWYIH-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336864;MM336864;C=C(F)C1NC1(C=O)CC;QKQBCXQNISABKK-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336865;MM336865;NCC(=CC(N)CF)CO;LNVAXZSIZDACJT-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336866;MM336866;C=C(F)C1NC1(C#N)CC;XBQBZAHFVNUXCD-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336867;MM336867;NCC(=CC(N)CN)CF;PHAYJONTXHZIMK-UHFFFAOYSA-N;147.2;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336868;MM336868;C=CC1(CN)NC1C(=C)F;IVUCKNLZEOKJQY-UHFFFAOYSA-N;142.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336869;MM336869;C=NNC(=NC(C)=N)OC;FRHVKNTVVOWFJA-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336870;MM336870;NCC(=CC(N)CO)CF;MMJMXNARGRPBNV-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336871;MM336871;C=C(F)C1NC1(C#N)CO;YRPQANFJVFCTAO-UHFFFAOYSA-N;142.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336872;MM336872;NCC(=CC(N)CF)CF;NHNAHVMIANNVFM-UHFFFAOYSA-N;150.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336873;MM336873;C=CC1(CC)OC1C(=C)C;CLOIQEWJLMLOSU-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336874;MM336874;CCC(N)C=C(CO)CO;HKYLCWZOPHINID-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336875;MM336875;C=C(C)C1OC1(C#N)CC;DTEJGEBZDXXNIQ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336876;MM336876;NCC(N)C=C(CO)CO;FULVMCJAILGHRS-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336877;MM336877;C=CC1(CC)OC1C(C)=O;WJIIQGDMNCIXJY-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336878;MM336878;NC(C=C(CO)CO)CO;YEWDOPYCGPRUEW-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336879;MM336879;CCC1(C#N)OC1C(C)=O;OTDBIAADRQCLNA-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336880;MM336880;NCC(N)C=C(CO)CF;DIDUPPCSNVMADV-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336881;MM336881;C=CC1(CC)OC1C(=N)N;NWKYORJAKGJODV-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336882;MM336882;NC(C=C(CO)CF)CO;UAMBFMLEMRNYLY-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336883;MM336883;CCC1(C=O)OC1C(=N)N;SOESOKOEOFFTOX-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336884;MM336884;CCC(N)C=C(CF)CF;UBRCYZSVYPDXPY-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336885;MM336885;CCC1(C#N)OC1C(=N)N;UBMYGSSSHUHSRY-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336886;MM336886;NCC(N)C=C(CF)CF;FTVAUEMNKAYOLV-UHFFFAOYSA-N;150.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336887;MM336887;N#CC1(CO)OC1C(=N)N;POFHTSMRYFTOBO-UHFFFAOYSA-N;141.13;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336888;MM336888;CC(O)C(C)C#CC=O;NFVANOMNMAGYQI-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336889;MM336889;C=CC1(CC)OC1C(N)=O;WOIAAQCPZIRONF-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336890;MM336890;CCC(=CC(O)CN)CC;GNWBBAUWHZKELM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336891;MM336891;CCC1(C#N)OC1C(N)=O;YJHHJAGEWHIJAW-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336892;MM336892;CCC(=CC(O)CO)CC;IQPQHOYAVSVEJW-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336893;MM336893;C=CC1(CN)OC1C(N)=O;VKZNXZOYVNJLHA-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336894;MM336894;CCC(=CC(O)CF)CC;RYMSVPIPUUELPA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336895;MM336895;C=CC1(CO)OC1C(N)=O;GJGICGAGVHCYBT-UHFFFAOYSA-N;143.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336896;MM336896;CCC(=CC(O)CC)CN;ZCYCPZIPCRLBHE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336897;MM336897;N#CC1(CO)OC1C(N)=O;FREUWZVNSIMTBB-UHFFFAOYSA-N;142.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336898;MM336898;CCC(=CC(O)CN)CN;UPKHGCKHNRRSGF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336899;MM336899;O=C(O)CON=CCO;YFGJVOBUGKWYPE-UHFFFAOYSA-N;133.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336900;MM336900;CCC(=CC(O)CF)CN;VCOWMZKHXUPOPK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336901;MM336901;Cn1[nH]nnc(=N)c1=NN;DIMIMBBDAZIWPA-UHFFFAOYSA-N;141.14;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336902;MM336902;CCC(=CC(O)CN)CO;JZFLWLCQGKXPKS-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336903;MM336903;N=c1c(=NN)o[nH]n1O;QXYLZNJSOHGQBZ-UHFFFAOYSA-N;131.1;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336904;MM336904;CCC(=CC(O)CO)CO;ZZYMLQFVENQHJL-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336905;MM336905;C=CC1(CC)OC1C(=C)F;XXEZCBGMJHLOJX-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336906;MM336906;CCC(=CC(O)CF)CO;PQYKFOKISGZUPF-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336907;MM336907;C=C(F)C1OC1(C#N)CC;CPYWGMNTWCBZIY-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336908;MM336908;CCC(=CC(O)CC)CF;SGTXTMQAIYAKIN-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336909;MM336909;C=CC1(CN)OC1C(=C)F;DKIPCOVSSVAMDU-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336910;MM336910;CCC(O)C=C(CN)CN;XUWILBDLNYPPEI-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336911;MM336911;C=CC1(CC)CN1C(C)=N;IAMQXQHLZMDNJA-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336912;MM336912;NCC(=CC(O)CN)CN;FBXJIEZPDSNWKF-UHFFFAOYSA-N;145.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336913;MM336913;CCC1(C#N)CN1C(C)=N;XIGSDZWTMGZYPU-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336914;MM336914;NCC(=CC(O)CF)CN;LLZHPNZNHPWNQK-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336915;MM336915;C=CC1(CC)CN1C(C)=O;GWNDCANMCYHGJP-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336916;MM336916;NCC(=CC(O)CN)CF;JUIFZLDYCGUWGM-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336917;MM336917;CCC1(C#N)CN1C(C)=O;VGTNJABXUASCNB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336918;MM336918;NCC(O)C=C(CO)CO;ZEESPDZHAFLMKT-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336919;MM336919;C=CC1(CN)CN1C(C)=O;OZTNHYKAQQXWPO-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336920;MM336920;C=CC1(CC)CN1C(=N)N;BZKNPFVNPCFRCC-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336921;MM336921;OCC(=CC(O)CO)CO;KFCGAJVGWVVUHA-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336922;MM336922;CCC1(C#N)CN1C(=N)N;JZRITUSIYXGYMG-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336923;MM336923;OCC(=CC(O)CF)CO;TZHDGYZRSPWBGK-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336924;MM336924;C=CC1(CO)CN1C(=N)N;OJIOKCJGNDXBOO-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336925;MM336925;NCC(O)C=C(CO)CF;DUBRYRAGMZZQRP-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336926;MM336926;C=CC1(CC)CN1C(N)=O;KCSUEIRBGYFWNZ-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336927;MM336927;OCC(=CC(O)CO)CF;UEUFUDCCCKZMER-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336928;MM336928;CCC1(C#N)CN1C(N)=O;IDZLCNFZZHVUCO-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336929;MM336929;OCC(=CC(O)CF)CF;SIRHZRSJYCWVLS-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336930;MM336930;C#CC1(CC)CC1C(=C)C;HECJSAGHLKUJSY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336931;MM336931;CCC(O)C=C(CF)CF;SAOKSZHBMFXECW-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336932;MM336932;C#CC1(CN)CC1C(=C)C;MFWAAIDGSLHHBD-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336933;MM336933;OCC(O)C=C(CF)CF;UJMUZJNZQVXZGG-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336934;MM336934;C=NNC=NN=CC(C)C;NQHCCJIUSHMOPH-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336935;MM336935;OC(C=C(CF)CF)CF;ONROXMVYNYAEOX-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336936;MM336936;C#CC1(CF)CC1C(=C)C;IJZMFDXSTJVZBV-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336937;MM336937;CCC(=CC(F)CC)CC;BPNNGBUWLHJRQE-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336938;MM336938;C#CC1(CC)CC1C(C)=O;DWCQRGSLQOYWSQ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336939;MM336939;CCC(=CC(F)CN)CC;FNDWIYHTQLYNDZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336940;MM336940;C#CC1(CO)CC1C(C)=O;YTXWAALQFFIWPG-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336941;MM336941;CCC(=CC(F)CO)CC;RKZTWNJSJNYHKE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336942;MM336942;C#CC1(CC)CC1C(=N)N;AZATVHLSVQMJOG-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336943;MM336943;CCC(=CC(F)CF)CC;OLFMUDWWMKFRCC-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336944;MM336944;C#CC1(CO)CC1C(=N)N;UDLYEHHSQKMUNU-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336945;MM336945;CCC(=CC(F)CC)CN;PTNAPTANNXWLPU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336946;MM336946;C#CC1(CC)CC1C(N)=O;BXTBQQZSCDSWTJ-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336947;MM336947;CCC(=CC(F)CN)CN;LSEHAIARUOQIRO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336948;MM336948;C#CC1(CN)CC1C(N)=O;YXYFFBVVJMXVHI-UHFFFAOYSA-N;138.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336949;MM336949;C#CC1(CO)CC1C(N)=O;YVLHLIOACWWPHO-UHFFFAOYSA-N;139.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336950;MM336950;CCC(=CC(F)CF)CN;KWUQXJMMEXHTBE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336951;MM336951;C#CC1(CF)CC1C(N)=O;QBAFVMIZZNLHSI-UHFFFAOYSA-N;141.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336952;MM336952;CCC(=CC(F)CC)CF;UOBMQDNVLCCXEW-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336953;MM336953;C#CC1(CC)CC1C(=O)O;IXBHSNWFGQAGQB-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336954;MM336954;CCC(=CC(F)CO)CF;MCKDEVJFICQRIP-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336955;MM336955;CC(=O)OCC(=O)O;MLXDUYUQINCFFV-UHFFFAOYSA-N;118.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336956;MM336956;CCC(=CC(F)CF)CF;HWFVYEGMWUWHTH-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336957;MM336957;C#CC1(CF)CC1C(=O)O;GDMBXTVXIBGMOH-UHFFFAOYSA-N;142.13;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336958;MM336958;CCC(F)C=C(CN)CN;REAMVQQHQPJNEI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336959;MM336959;C#CC1(CC)CC1C(=C)F;JQJUFLMOXDKYKJ-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336960;MM336960;NCC(=CC(F)CN)CN;KCLFBOGVXCBYTB-UHFFFAOYSA-N;147.2;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336961;MM336961;C#CC1(CN)CC1C(=C)F;MVLIMFZWWFPRQL-UHFFFAOYSA-N;139.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336962;MM336962;NCC(=CC(F)CO)CN;NXYLAPMUQRLKIC-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336963;MM336963;C#CC1(CO)CC1C(=C)F;KJQRAPZUCRFDGS-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336964;MM336964;NCC(=CC(F)CN)CO;BAASNTCIXXCEFN-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336965;MM336965;C#CC1(NC)CC1C(=C)C;BVKVNOGKDASBOA-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336966;MM336966;NCC(=CC(F)CN)CF;JJYJOIJLSMTOTL-UHFFFAOYSA-N;150.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336967;MM336967;C#CC1(NC)CC1C(=N)N;VJKQPMXLHGFESM-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336968;MM336968;NCC(F)C=C(CO)CO;DGULQCNXSSCBFH-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336969;MM336969;C#CC1(NC)CC1C(=C)F;SOEJRKAQLIJUAM-UHFFFAOYSA-N;139.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336970;MM336970;OCC(=CC(F)CO)CO;WBJRCPDCPJSKOL-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336971;MM336971;C#CC1(OC)CC1C(=C)C;YGXGWLRZMWSIQX-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336972;MM336972;NCC(F)C=C(CF)CF;NCARXAXBOPNLAU-UHFFFAOYSA-N;153.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336973;MM336973;C#CC1(OC)CC1C(C)=O;SXGFDYDSCPZLAW-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336974;MM336974;OCC(F)C=C(CF)CF;MJSKTVPPGIDSSY-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336975;MM336975;C#CC1(OC)CC1C(=N)N;CNKRDJFXONMZTR-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336976;MM336976;CCC(=CC(C)NC)CC;TXFCNEMERWJAGG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336977;MM336977;C#CC1(OC)CC1C(N)=O;BARWARKCLUEXDV-UHFFFAOYSA-N;139.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336978;MM336978;CCC(=CC(C)NC)CO;NUTXWPNQGCPERL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336979;MM336979;CC(=O)OC(C=O)C(C)=O;MIBYCBIKZSVCIY-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336980;MM336980;CNC(C)C=C(CN)CN;BXTPHYUXNLIABT-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336981;MM336981;C#CC1(OC)CC1C(=C)F;OCWPOGSXLAGQAM-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336982;MM336982;CNC(C)C=C(CN)CO;SKCFRDWPXNSDPN-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336983;MM336983;C#CC1(CC)NC1C(=C)C;IINYETXWJDOTPL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336984;MM336984;CCC(=CC(C)OC)CC;RVQPSAOHDALESN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336985;MM336985;C#CC1(CN)NC1C(=C)C;QKGWATMVYROWBA-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336986;MM336986;CCC(=CC(C)OC)CN;PPWGSNDJHMGNSD-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336987;MM336987;C=C(C)C(CCO)CCF;PJGDLCXTGKBZOL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336988;MM336988;CCC(=CC(C)OC)CO;VCVDNILLQOKNQJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336989;MM336989;C#CC1(CF)NC1C(=C)C;ZAZUGHIRGZZBNA-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336990;MM336990;COC(C)C=C(CN)CN;YKVBBCHPSFJAJO-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336991;MM336991;C=NNC(CC=O)C(=C)C;QFUPHHSEUQIEIL-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336992;MM336992;COC(C)C=C(CO)CO;VPJWRJSQWKLUIU-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336993;MM336993;CC1C(C2CC2O)C1(C)C;RCXBTKQXFFVIAO-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336994;MM336994;COC(C)C=C(CO)CF;PEKORVCPIJEKJF-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336995;MM336995;C=CC(O)CCC(=C)C#N;FAJSCIDMYKOOAU-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336996;MM336996;CCC(=CC(C)CC)OC;IXKYGOXAGVDQDV-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336997;MM336997;C#CC1(CC)NC1C(=N)N;ITXQRVHHJZYACD-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336998;MM336998;CCC(=CC(C)CN)OC;BIEBAQLRJBOQIF-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM336999;MM336999;C#CC1(CN)NC1C(=N)N;FAGXZKMQLCWWJN-UHFFFAOYSA-N;138.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337000;MM337000;CCC(=CC(C)CO)OC;USSKNWVIUVFFAV-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337001;MM337001;C#CC1(CO)NC1C(=N)N;ZBEAAOOWGNAKFC-UHFFFAOYSA-N;139.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337002;MM337002;CCC(C)C=C(CN)OC;ZKMFMPUCIZPKLN-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337003;MM337003;C#CC1(CF)NC1C(=N)N;OVIXOVKLLKWQAI-UHFFFAOYSA-N;141.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337004;MM337004;COC(=CC(C)CN)CN;GCZJMQZRHSHSMF-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337005;MM337005;CC1C(CO)CC1(C)C#N;DRAKKJIBQNPASX-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337006;MM337006;CCC(=CC(N)CO)OC;LAVCTXZJCQDZRH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337007;MM337007;C#CC1(CN)NC1C(N)=O;DCQVGZHASCCEHL-UHFFFAOYSA-N;139.16;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337008;MM337008;CCC(=CC(N)CF)OC;QXLUVKVZGUNLMH-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337009;MM337009;C=CC(C=C(C)C#N)CO;CMMLOCMQWFJFOR-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337010;MM337010;CCC(N)C=C(CN)OC;LQLWYWZDNLAWTC-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337011;MM337011;CCC(=O)NC=CC(=O)O;MVGDKROJNFMFSJ-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337012;MM337012;COC(=CC(N)CN)CN;CEMBMHQAFCZUPT-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337013;MM337013;CC(=O)OCOCC(=O)O;AGPSVQHYMWYYOM-UHFFFAOYSA-N;148.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337014;MM337014;COC(=CC(N)CO)CN;OEDMTBHKCMRCBA-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337015;MM337015;COC(=O)COCC(=O)O;DQPDAFDEASYJKB-UHFFFAOYSA-N;148.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337016;MM337016;COC(=CC(N)CF)CN;CBNYMCIYJHVRPH-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337017;MM337017;C#CC1(CC)NC1C(=C)F;RVISAEUJVXTKPB-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337018;MM337018;COC(=CC(N)CN)CO;UICGSBYJOHLEME-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337019;MM337019;C#CC1(CN)NC1C(=C)F;GYFDPMIOVXHDAN-UHFFFAOYSA-N;140.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337020;MM337020;COC(=CC(N)CO)CO;ZXCHLIUWIZYELO-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337021;MM337021;CC(C)(C#CC1CN1)CO;ZBZAPMJPLWXCJR-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337022;MM337022;CCC(=CC(O)CC)OC;ZZXFUTNQANEAOI-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337023;MM337023;C#CC1(CF)NC1C(=C)F;LISMCZMIMZLIOW-UHFFFAOYSA-N;143.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337024;MM337024;CCC(=CC(O)CN)OC;DAMINYXPPUIBIS-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337025;MM337025;C#CC1(CC)OC1C(=C)C;DMMUKPBPCFPSBM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337026;MM337026;CCC(=CC(O)CO)OC;SKAWHCBIEPYHET-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337027;MM337027;C#CC1(CN)OC1C(=C)C;BJAQQUYFRPMNQN-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337028;MM337028;CCC(O)C=C(CN)OC;ZSDKKTZOAAAKSH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337029;MM337029;C#CC1(CC)OC1C(C)=O;QXMGWEUKZBPQHQ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337030;MM337030;COC(=CC(O)CN)CN;RUUOGQTTYORUIF-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337031;MM337031;C#CC1(CC)OC1C(=N)N;ABFOFIIECFZURV-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337032;MM337032;COC(=CC(O)CO)CN;WMQNZCSYSWSMPN-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337033;MM337033;COC(=CC(O)CF)CN;DBQNUZAVVJMWPN-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337034;MM337034;C#CC1(CN)OC1C(=N)N;XVEJAINMQHEXST-UHFFFAOYSA-N;139.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337035;MM337035;COC(=CC(O)CN)CO;ALFMRCWPFZAKAN-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337036;MM337036;C#CC1(CO)OC1C(=N)N;SEXMXBCITICRHM-UHFFFAOYSA-N;140.14;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337037;MM337037;COC(=CC(O)CO)CO;WDVPTFVVTHCXMR-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337038;MM337038;C#CC1(CC)OC1C(N)=O;LODNXWSNDNWXLZ-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337039;MM337039;COC(=CC(O)CF)CO;AIRCMAUNWVTMOT-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337040;MM337040;C#CC1(CN)OC1C(N)=O;RLDVWLVCVIUQDG-UHFFFAOYSA-N;140.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337041;MM337041;CCC(O)C=C(CF)OC;YJUJKFIVQDIHNS-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337042;MM337042;C#CC1(CO)OC1C(N)=O;FIWODTNBYFTDLR-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337043;MM337043;COC(=CC(O)CO)CF;JDWOAVCUNZYBDA-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337044;MM337044;C#CC1(CF)OC1C(N)=O;PKNMWYSWACGYAC-UHFFFAOYSA-N;143.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337045;MM337045;COC(=CC(O)CF)CF;XKJHSYQOMXFDAC-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337046;MM337046;COC(C(=O)O)C(C)(F)F;FYDHCFRPELRSRD-UHFFFAOYSA-N;154.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337047;MM337047;CCC(=CC(F)CC)OC;RCHLLHXXLDJCPN-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337048;MM337048;C#CCOCC(O)C(=O)O;GMETVQSYUMSQJH-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337049;MM337049;CCC(=CC(F)CN)OC;WYXYTYNBKRJKSV-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337050;MM337050;C#CC1(CC)OC1C(=C)F;METNXFCKRVUJMX-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337051;MM337051;CCC(=CC(F)CO)OC;NRYXKZRQQAYHOJ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337052;MM337052;C#CC1(CO)OC1C(=C)F;VLGOLKLMAXXISH-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337053;MM337053;CCC(=CC(F)CF)OC;UZHWSEPKELNCPV-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337054;MM337054;C#CC1(CC)CN1C(C)=N;LMVWLUXFGHNIJO-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337055;MM337055;COC(=CC(F)CN)CN;ZAFVUVILDUOMFG-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337056;MM337056;C#CC1(CN)CN1C(C)=N;DNJGELJGNCINHB-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337057;MM337057;COC(=CC(F)CO)CN;OHOSDNHIQNQGSP-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337058;MM337058;C#CC1(CO)CN1C(C)=N;NIJUVZSEWZZATB-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337059;MM337059;COC(=CC(F)CO)CO;IDHWMMKMBZYMDA-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337060;MM337060;C#CC1(CC)CN1C(C)=O;JFEBKCVAUZQSSJ-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337061;MM337061;COC(=CC(F)CO)CF;KXBBKWQTDUEBHH-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337062;MM337062;C#CC1(CN)CN1C(C)=O;XJUAUBANBDGEIM-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337063;MM337063;CNC(C)C=C(CN)OC;ZAYGOKUTOXKKKE-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337064;MM337064;C#CC1(CC)CN1C(=N)N;DUTSISHLVHYPJR-UHFFFAOYSA-N;137.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337065;MM337065;COC(=CC(C)OC)CF;UUFRBSOZNFQVBI-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337066;MM337066;C#CC1(CN)CN1C(=N)N;SDSNRQITGWMCGG-UHFFFAOYSA-N;138.17;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337067;MM337067;CCC(=NC)NC(C)CO;XMJARDCZWAAWLI-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337068;MM337068;C#CC1(CO)CN1C(=N)N;GRDVYHSXVCSWAK-UHFFFAOYSA-N;139.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337069;MM337069;CC(CO)N=C(NN)NN;QCUMLLFUCFLRML-UHFFFAOYSA-N;147.18;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337070;MM337070;C#CC1(CC)CN1C(N)=O;BWQVVENSZSHSAB-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337071;MM337071;CC(CO)N=C(NN)NO;MVJJUNRGBBRZHW-UHFFFAOYSA-N;148.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337072;MM337072;C#CC1(CN)CN1C(N)=O;SYBGHXWAFHBZHI-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337073;MM337073;CC(CN)N=C(NO)NO;MDYAPODLKLNQJJ-UHFFFAOYSA-N;148.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337074;MM337074;C=CC1(C=C)CC1C(=C)C;YOPMWNNDWVGIHP-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337075;MM337075;CN(C=O)NCCC=O;JPYVLNUVSRPDCF-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337076;MM337076;C=CC1(C=O)CC1C(=C)C;DRMPKWCNRFFRRA-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337077;MM337077;CCC(CC)=NN(C)CC;VUFJOYVXHJMUPN-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337078;MM337078;C=CC1(C#N)CC1C(=C)C;HFYMDAZVOJJABR-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337079;MM337079;CCC(=NN(C)CC)OC;PPTSDTSIJPNZOK-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337080;MM337080;C=C(C)C1CC1(C=O)C=O;MFMFKQKZYVFDLC-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337081;MM337081;CCN(C)N=C(CF)OC;DBJNPANRBBXQMQ-UHFFFAOYSA-N;148.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337082;MM337082;C=C(C)C1CC1(C#N)C=O;SWTXZWRLRKQBEY-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337083;MM337083;C=CC(C)C=C(CC)CC;JBMUBFJMULUILJ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337084;MM337084;C=C(C)C1CC1(C#N)C#N;TYLQZFUXIBBXBA-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337085;MM337085;CCC(=CC(C)C=O)CC;IYLMLEZJAKLDHB-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337086;MM337086;C=CC1(C=C)CC1C(C)=O;MVHHKDMSZZKVIB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337087;MM337087;CCC(=CC(C)C#N)CC;MXOKNZPEYOEMTL-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337088;MM337088;C=CC1(C=O)CC1C(C)=O;RDTMUVRRUPWLQY-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337089;MM337089;C=CC(C)C=C(CC)CN;DZIASXZISJLVHX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337090;MM337090;C=CC1(C#N)CC1C(C)=O;DPGGSCJATDYQPC-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337091;MM337091;C#CC#CCC(C)CO;FAVUGKRKUUMFHA-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337092;MM337092;CC(=O)C1CC1(C=O)C=O;USQFNFMIIWXIHU-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337093;MM337093;CCC(=CC(C)C#N)CO;KGMBLNMTMRACPG-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337094;MM337094;CC(=O)C1CC1(C#N)C=O;PSOJSZKOVFFUCM-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337095;MM337095;C=CC(C)C=C(CC)CF;IKWQBNFGIGRYTI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337096;MM337096;CC(=O)C1CC1(C#N)C#N;CLXCQGMDIHWGQL-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337097;MM337097;CCC(=CC(C)C=O)CF;JOOOZWRFYRWIDF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337098;MM337098;C=CC(C)C=C(CN)CF;WXLSBTDOHPCWGV-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337099;MM337099;C=CC1(C=C)CC1C(=N)N;BNNSAIGQZRDQIU-UHFFFAOYSA-N;136.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337100;MM337100;C=CC1(C=O)CC1C(=N)N;VSRYIVZPYVUKJI-UHFFFAOYSA-N;138.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337101;MM337101;CC(C#N)C=C(CO)CO;SSXVWTHGRVIZBE-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337102;MM337102;C=CC1(C#N)CC1C(=N)N;RAIHHBWHIUPLES-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337103;MM337103;CC(C#N)C=C(CF)CF;GUJJFYTYHLZNHJ-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337104;MM337104;N=C(N)C1CC1(C=O)C=O;HJZZQOFPIBMTEH-UHFFFAOYSA-N;140.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337105;MM337105;C=CC(N)C=C(CC)CC;OYRKOHYIFOTQGJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337106;MM337106;N#CC1(C=O)CC1C(=N)N;UVHKQRDOSTWVGN-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337107;MM337107;C=CC(N)C=C(CC)CF;NYIFKTNNVTUFBP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337108;MM337108;N#CC1(C#N)CC1C(=N)N;JBEONBJYALISTL-UHFFFAOYSA-N;134.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337109;MM337109;C=CC(N)C=C(CO)CO;HXPCTKPLGISMJQ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337110;MM337110;C=CC(O)C(=C)CC#CC;XUGCKXGZFXKTMA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337111;MM337111;C=CC1(C)CC1CCO;SCXVYYVLBRNJML-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337112;MM337112;C=CC1(C=O)CC1C(N)=O;LHKGIKZCHJLQET-UHFFFAOYSA-N;139.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337113;MM337113;CCC(=CC(O)C=O)CC;DBRFPPRQLHXOID-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337114;MM337114;C=CC1(C#N)CC1C(N)=O;BRUAWTIZPVNDCO-UHFFFAOYSA-N;136.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337115;MM337115;CCC(=CC(O)C#N)CC;RZVFKTLCJLDHNW-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337116;MM337116;N#CC1(C=O)CC1C(N)=O;QPUHGGPHUFHIEX-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337117;MM337117;CCC(=CC(O)C=O)CO;IVFDALPHOKTBAQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337118;MM337118;N#CC1(C#N)CC1C(N)=O;NULQCLRYYANDTF-UHFFFAOYSA-N;135.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337119;MM337119;CCC(=CC(O)C#N)CO;WSZAJIPELKRFRL-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337120;MM337120;C=CC1(C=C)CC1C(=O)O;DVYNTRNLIKLALI-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337121;MM337121;C=CC(O)C=C(CN)CN;LKJMNFJTZLLLCY-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337122;MM337122;O=CC(O)C#CCC(=O)O;BNIVEPWRIICCAG-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337123;MM337123;C=CC(O)C=C(CN)CO;ADUGMQFUQLCIDL-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337124;MM337124;C=CC1(C#N)CC1C(=O)O;ZMVAABNCNQNOAB-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337125;MM337125;O=CC(O)C=C(CO)CO;VIPTXDIJRFAIKV-UHFFFAOYSA-N;146.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337126;MM337126;Cn1c(O)ncnc1=O;FVKZQYAEWARVNB-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337127;MM337127;N#CC(O)C=C(CO)CO;GQEDTBNMULYHJZ-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337128;MM337128;CC1(O)CONC1=O;WOCMHIRQYPZQEM-UHFFFAOYSA-N;117.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337129;MM337129;C=CC(O)C=C(CO)CF;WEISONHWRUNLIC-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337130;MM337130;N#CC1(C#N)CC1C(=O)O;DAWPWQHRSYLXDS-UHFFFAOYSA-N;136.11;0.12;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337131;MM337131;C=CC(F)C=C(CC)CC;QXOVWSJVTQMHHF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337132;MM337132;C=CC1(C=C)CC1C(=C)F;OTVVWGIAVQWSAO-UHFFFAOYSA-N;138.19;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337133;MM337133;CCC(=CC(F)C=O)CC;DYBYFAOUDAUELZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337134;MM337134;C=CC1(C=O)CC1C(=C)F;RZKITBAAKKKOTG-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337135;MM337135;C=CC(F)C=C(CC)CN;YVMJASMAYJIZHL-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337136;MM337136;C=CC1(C#N)CC1C(=C)F;BXXRRNOKDLLEJL-UHFFFAOYSA-N;137.16;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337137;MM337137;C=CC(F)C=C(CC)CO;VEJIKJFQANSSGN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337138;MM337138;C=C(F)C1CC1(C#N)C=O;BXCIGJSTWLTLGN-UHFFFAOYSA-N;139.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337139;MM337139;CCC(=CC(F)C=O)CO;ZIXWYKRPHZKMIK-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337140;MM337140;C=C(F)C1CC1(C#N)C#N;IQYFHBRZKZYYDQ-UHFFFAOYSA-N;136.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337141;MM337141;C=CC(F)C=C(CC)CF;KDIWVAGJHIQCFX-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337142;MM337142;C=CC(F)C=C(CO)CF;ABLKFSLCACHDFP-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337143;MM337143;C=CC1(C=C)NC1C(=C)C;DAJCZGAIVWZSAX-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337144;MM337144;CCC(=CC(C)C=O)OC;KTVDYQWYLWNPQY-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337145;MM337145;C=CC1(C=O)NC1C(=C)C;AJEBJIHAWPTYBZ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337146;MM337146;CCC(=CC(C)C#N)OC;ZSLHEAVNQYJEBF-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337147;MM337147;C=CC1(C#N)NC1C(=C)C;HALPTFCEYLQAME-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337148;MM337148;C=CC(C)C=C(CN)OC;BZQLZUZKZVXGKG-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337149;MM337149;C=C(C)C1NC1(C#N)C=O;VSQGVEYCFBODOR-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337150;MM337150;COC(=CC(C)C=O)CO;FZIYZWPVTOJYHO-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337151;MM337151;C=C(C)C1NC1(C#N)C#N;JMBAOILOPFTQFW-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337152;MM337152;C=CC(C)C=C(CF)OC;ZWXHFHTVXRBOEO-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337153;MM337153;C=COC=NNC(C)C=O;WLKYPYVEZCHRKM-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337154;MM337154;C=CC(N)C=C(CN)OC;GJMSTYGUOSNCGA-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337155;MM337155;CC=CC#CCC(C)CO;AVGHOFSEXNAUES-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337156;MM337156;C=CC(N)C=C(CO)OC;FDUACKKOLIXDSN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337157;MM337157;C=NN=CC#CC(C)C=O;SDWPENXUOVXISO-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337158;MM337158;CCC(=CC(O)C#N)OC;RJZMJQNMYBIULL-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337159;MM337159;C=CC(CCC=O)NN=C;NYJWQXMCYNLJCL-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337160;MM337160;COC(=CC(O)C=O)CO;VQBRSTFEXMAVKH-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337161;MM337161;C=C1C(C)C=C(CO)C1C;HUNNYUKJNHYVHL-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337162;MM337162;COC(=CC(O)C#N)CO;OFOPZLLONVKOKI-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337163;MM337163;CC(=O)C1NC1(C#N)C#N;LCUJETXBWFZNFC-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337164;MM337164;COC(=CC(O)C=O)CF;MQRJJFIWXGVBDW-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337165;MM337165;C=CC(F)C=C(CC)OC;LRLJOMJTFGSBNQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337166;MM337166;C=CC1(C=C)NC1C(=N)N;GWNHTPPAWGDYDK-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337167;MM337167;CCC(=CC(F)C=O)OC;WMDGXBZGFGNKQY-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337168;MM337168;C=CC1(C=O)NC1C(=N)N;WRRONHPFSSRMGI-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337169;MM337169;C=CC(F)C=C(CO)OC;VRIGVIFTADTHGP-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337170;MM337170;C=CC1(C#N)NC1C(=N)N;OPLPLQFPVDWVJD-UHFFFAOYSA-N;136.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337171;MM337171;COC(=CC(F)C=O)CO;YQWVQCLMGCZGBO-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337172;MM337172;N#CC1(C=O)NC1C(=N)N;JMQXLHHFEYUMMZ-UHFFFAOYSA-N;138.13;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337173;MM337173;COC(=CC(F)C=O)CF;ZTDGGYARMFRUCH-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337174;MM337174;N#CC1(C#N)NC1C(=N)N;IKZILINCROIKFR-UHFFFAOYSA-N;135.13;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337175;MM337175;COC(=CC(F)C#N)CF;LBUOSLVUINGLNC-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337176;MM337176;C=C1CC(CO)=C(C)C1C;URNXKJWHISIOOI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337177;MM337177;CNC(=NC(C)C=O)NC;UWOYIYHWLACMIF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337178;MM337178;C=Cn1cc(NCC)nn1;DFEMVHUFMCUNKW-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337179;MM337179;CNC(=NC(C)C=O)NO;CCJCYPULSWKJKR-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337180;MM337180;C=CC1(C#N)NC1C(N)=O;MUKPUMLDSUGZQR-UHFFFAOYSA-N;137.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337181;MM337181;CC1(C=O)CC1CCO;IQELQCSMPHQCFW-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337182;MM337182;N#CC1(C#N)NC1C(N)=O;JPODURIWZYEIGW-UHFFFAOYSA-N;136.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337183;MM337183;CCC(=CN(C)C=N)CC;IBNGBNOCMDKFQV-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337184;MM337184;O=C(O)C(O)C(O)CF;ILTGPOBZNFDJAP-UHFFFAOYSA-N;138.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337185;MM337185;CCC(=CN(C)C=O)CC;PEZAKUWNBHNJBX-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337186;MM337186;CCC(=CN(C)C=O)CN;NETWDRGMXWQONO-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337187;MM337187;CC(O)C(F)(CO)C(=O)O;SCKVKGTUXCESSQ-UHFFFAOYSA-N;152.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337188;MM337188;CCC(=CN(C)C=N)CO;PIUNTSCVJZTUKK-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337189;MM337189;C#CCOC(CO)C(=O)O;AOBBFJURBUKSEE-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337190;MM337190;CN(C=O)C=C(CN)CF;PHRHZWYHLSDXHM-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337191;MM337191;O=CC(CO)OCC(=O)O;JYRFVYCDJMMNRK-UHFFFAOYSA-N;148.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337192;MM337192;CN(C=N)C=C(CO)CO;ADDWBCRIXBJNAN-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337193;MM337193;C#CC(C)C(=NO)C(=O)O;XICHTLHRONWULE-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337194;MM337194;CCC(=CN(N)C=N)CC;DPCQAQIDTWKWTQ-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337195;MM337195;C=CC1(C=C)NC1C(=C)F;XZXNXLRDSDPUSO-UHFFFAOYSA-N;139.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337196;MM337196;CCC(=CN(N)C=O)CC;MKWJLFOMHGSLOZ-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337197;MM337197;C=CC1(C=O)NC1C(=C)F;GJEPJOKGBYTTKB-UHFFFAOYSA-N;141.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337198;MM337198;CCC(=CN(N)C=N)CO;FBRMWPLDRNDFQZ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337199;MM337199;C=CC1(C#N)NC1C(=C)F;JKYGUXKDHYRZLW-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337200;MM337200;C#CC(=C)CC1CC1O;HEJWNHMYJLMZSJ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337201;MM337201;C=C(F)C1NC1(C#N)C=O;PSWHQGGGGDGKGO-UHFFFAOYSA-N;140.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337202;MM337202;CCC(=CN(N)C=N)CF;GLBBSZSFWISURK-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337203;MM337203;C=C(F)C1NC1(C#N)C#N;HVTRNCWHYNCOAF-UHFFFAOYSA-N;137.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337204;MM337204;CCC(=CN(N)C=O)CF;RZWSWFGFVFXWDL-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337205;MM337205;C=CC1(C=C)OC1C(=C)C;WFMKMUOBNXYTTP-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337206;MM337206;N=CN(N)C=C(CO)CO;HWOUMCGOYGHWOJ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337207;MM337207;C=CC1(C#N)OC1C(=C)C;AMGGZECKFOJBDI-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337208;MM337208;C=C1CC(CC)=CC1O;WHIGLTGELSTVIH-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337209;MM337209;CCC(=CN(O)C=N)CC;FGRDDERSWLYPNC-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337210;MM337210;C=C(C)C1OC1(C#N)C#N;YVXKJZFQEZVFGX-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337211;MM337211;CCC(=CN(O)C=O)CC;NJYRSOLOHURHEE-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337212;MM337212;C=CC1(C=O)OC1C(C)=O;QCMRKJUJUMYGPE-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337213;MM337213;CCC(=CN(O)C=O)CO;NZIRCXHQXHDGHU-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337214;MM337214;C=CC1(C#N)OC1C(C)=O;FVGKIYADVCMRGF-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337215;MM337215;CCC(=CN(O)C=O)CF;RXMZTHDTVYASQJ-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337216;MM337216;CC(=O)C1OC1(C#N)C=O;CBTOAGSFMWQXOU-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337217;MM337217;N=CN(O)C=C(CN)CF;DEYLTKSMPZKFNF-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337218;MM337218;CC(=O)C1OC1(C#N)C#N;CGCORZOVKAOQIU-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337219;MM337219;O=CN(O)C=C(CO)CO;JNPJHPPPSOEKGX-UHFFFAOYSA-N;147.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337220;MM337220;C=CC1(C=C)OC1C(=N)N;WGIUZCVSKGDUDD-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337221;MM337221;O=CN(O)C=C(CO)CF;YPUPQYVUJLZROP-UHFFFAOYSA-N;149.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337222;MM337222;C=CC1(C=O)OC1C(=N)N;XTKNQJFWIPGNIZ-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337223;MM337223;COC(=CN(C)C=N)CN;ACCIGDLFJBMBOO-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337224;MM337224;C=CC1(C#N)OC1C(=N)N;YQOYTQDKELKLAJ-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337225;MM337225;COC(=CN(C)C=O)CN;PZJJKUZQUIYALO-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337226;MM337226;N#CC1(C=O)OC1C(=N)N;YQBZOTNWSYYJQN-UHFFFAOYSA-N;139.11;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337227;MM337227;CCC(=CN(N)C=N)OC;XWARQAOOMRNKMD-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337228;MM337228;N#CC1(C#N)OC1C(=N)N;XNFSVWPYSJSDAM-UHFFFAOYSA-N;136.11;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337229;MM337229;CCC(=CN(N)C=O)OC;PZMHFQNZGKVVID-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337230;MM337230;C=CC1(C=C)OC1C(N)=O;HYXXBTSWWHREGN-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337231;MM337231;NN1CCC(F)=CC1=O;HOTPQCKQNNUKGI-UHFFFAOYSA-N;130.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337232;MM337232;COC(=CN(N)C=N)CF;RUPYUKYDDNNLQF-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337233;MM337233;C=CC1(C#N)OC1C(N)=O;NZDINTZSDDMMIZ-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337234;MM337234;CCC(CC)=NN(C)C=N;GSCSKJNJSGJCHU-UHFFFAOYSA-N;141.22;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337235;MM337235;N#CC1(C=O)OC1C(N)=O;PNVVGKDIBSQERB-UHFFFAOYSA-N;140.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337236;MM337236;CCC(CC)=NN(C)C=O;JSVSDUNULAEBRR-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337237;MM337237;N#CC1(C#N)OC1C(N)=O;QMWKLXYCRLDAGC-UHFFFAOYSA-N;137.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337238;MM337238;N=C1C=CC(CC=O)=N1;KSTBQZUREGIXLC-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337239;MM337239;O=c1nc(NO)c(=O)[nH][nH]1;HQTALMJVYLMPPT-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337240;MM337240;C=C(CCO)CC1CC1;KJJKTXKWJDQCSH-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337241;MM337241;C=CC1(C=O)OC1C(=C)F;MBUXARMGHZBCHT-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337242;MM337242;CN(C=O)N=C(CO)CF;YNYPBTHLRWTSMA-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337243;MM337243;C=CC1(C=C)CN1C(C)=N;ZNIPFCQOVLSOLY-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337244;MM337244;CN(C=N)N=C(CF)CF;DTVXMUAEBJVLMR-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337245;MM337245;CC(=N)N1CC1(C#N)C#N;QMXMZXXXRVEZLM-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337246;MM337246;CCC(=NN(C)C=O)OC;SUKBRTMRXQGOKF-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337247;MM337247;C=CC1(C=C)CN1C(C)=O;VRIIAGUFUUCNOT-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337248;MM337248;C=C(CCO)CC1CO1;KGGXHGOAOMPJTA-UHFFFAOYSA-N;128.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337249;MM337249;C=CC1(C=O)CN1C(C)=O;ZRSLMFKCKRPXRB-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337250;MM337250;COC(CO)=NN(C)C=O;OWBQZDKHSAIKBC-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337251;MM337251;C=CC1(C#N)CN1C(C)=O;CWQCRZOOJKEMSO-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337252;MM337252;COC(CF)=NN(C)C=N;DKANWMHFGGZKOV-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337253;MM337253;COC(CF)=NN(C)C=O;JCMZCBGMTJUTLV-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337254;MM337254;CC(=O)N1CC1(C#N)C#N;AAJMSHGASUSNBI-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337255;MM337255;CNC(=NN(C)C=N)NC;OKDCJIHJOPNSJE-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337256;MM337256;C=CC1(C=C)CN1C(=N)N;XOTBATVVMXCASN-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337257;MM337257;C=C1C(O)C=CC1CC;ZPCIBGFPUMBNGV-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337258;MM337258;N#CC1(C#N)CN1C(=N)N;OYFXOSZENJEHKP-UHFFFAOYSA-N;135.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337259;MM337259;C#CCCC(C#C)CO;DQFMIOPQINVTHI-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337260;MM337260;C=CC1(C=C)CN1C(N)=O;CULPVJJATPZEQI-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337261;MM337261;N=CN(C=O)CCC=O;MFLHYGIOMOWVNF-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337262;MM337262;C=CC1(C#N)CN1C(N)=O;UQCIXXKTCLQGIY-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337263;MM337263;C#CC1NC1C(=O)C=O;GRFVGJKDLNZONX-UHFFFAOYSA-N;123.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337264;MM337264;N#CC1(C#N)CN1C(N)=O;KEWSESLCGUURQZ-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337265;MM337265;O=CCOC=NOC=O;IOVQKVBIHCVEAG-UHFFFAOYSA-N;131.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337266;MM337266;C#CC1(C=C)CC1C(=C)C;MSOQPGBXSGALCZ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337267;MM337267;C=CC1C(C)C1CCO;SSCFHCJAWFFRRZ-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337268;MM337268;C#CC1(C=O)CC1C(=C)C;HNBPQIVEHVKTMP-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337269;MM337269;COC(=NN(C)C=O)NO;GXCYSYRIPJYYSJ-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337270;MM337270;C#CC1(C#N)CC1C(=C)C;QOXIQWPJBZDMQX-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337271;MM337271;C#CC(C)C=C(CC)CC;FZXLKCBWKWPCIY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337272;MM337272;C#CC1(C=C)CC1C(C)=O;ZVPPTBRISVXMAD-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337273;MM337273;C#CC(C)C=C(CC)CN;CBSNNMFWYTXQDX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337274;MM337274;C#CC1(C=O)CC1C(C)=O;WHMMHZIISCDUDG-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337275;MM337275;C#CC(C)C=C(CN)CN;VAWKZBZFNMAOQF-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337276;MM337276;C#CC1(C#N)CC1C(C)=O;OWRDWLOZMGRBDN-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337277;MM337277;C#CC(C)C=C(CN)CF;KVZCYRZBAVFCDE-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337278;MM337278;C#CC1(C=C)CC1C(=N)N;ZHPICKXFBQFJNM-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337279;MM337279;C#CC(C)C=C(CF)CF;YGOWMEGGWNUKCX-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337280;MM337280;C#CC1(C=O)CC1C(=N)N;OYWLXGJMMGFUTN-UHFFFAOYSA-N;136.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337281;MM337281;C#CC(N)C=C(CC)CC;HLMGIJKWXVGRSZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337282;MM337282;C#CC1(C#N)CC1C(=N)N;ZBNLAAKGPSMPLB-UHFFFAOYSA-N;133.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337283;MM337283;C#CC(N)C=C(CC)CF;DODYKPSZTQNGQZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337284;MM337284;C#CC1(C=C)CC1C(N)=O;ZABWCOQJSMHLGX-UHFFFAOYSA-N;135.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337285;MM337285;C#CC(N)C=C(CN)CN;QDOYJKMGEHRXJZ-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337286;MM337286;C#CC1(C=O)CC1C(N)=O;KUICCXMYPFTVPK-UHFFFAOYSA-N;137.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337287;MM337287;C#CC(N)C=C(CN)CO;WWLNAEQPRVMHLG-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337288;MM337288;C#CC1(C#N)CC1C(N)=O;RESSAUROXVPSIU-UHFFFAOYSA-N;134.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337289;MM337289;C#CC(N)C=C(CN)CF;OPQLRSWTXHQUTM-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337290;MM337290;C#CC1(C=C)CC1C(=O)O;YAZGFGYIVZZCEY-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337291;MM337291;C#CC(O)C=C(CC)CC;IEDSMTGWEGCQKX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337292;MM337292;O=C(CF)NOCCO;IVGPVRYLYXIDDY-UHFFFAOYSA-N;137.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337293;MM337293;C#CC(O)C=C(CN)CN;VVVXXONNJPFDJO-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337294;MM337294;C#CC1(C#N)CC1C(=O)O;WUMWJEDPTDFJOT-UHFFFAOYSA-N;135.12;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337295;MM337295;C#CC(O)C=C(CN)CO;WERBUKZPAWDHAM-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337296;MM337296;C#CC1(C=C)CC1C(=C)F;MNEUDSXTYKVYHO-UHFFFAOYSA-N;136.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337297;MM337297;C#CC(O)C=C(CO)CO;KPLAXBARKBBEAJ-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337298;MM337298;C#CC1(C=O)CC1C(=C)F;SQXCHGHAVVCKCZ-UHFFFAOYSA-N;138.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337299;MM337299;C#CC(F)C=C(CC)CC;LTHSLOOCODVDID-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337300;MM337300;C#CC1(C#N)CC1C(=C)F;WBYHPAQIEXFVOT-UHFFFAOYSA-N;135.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337301;MM337301;C#CC(F)C=C(CC)CN;YSCFYYVUYPVIAV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337302;MM337302;C#CC1(C=C)NC1C(=C)C;XEBULSJBNZPSQN-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337303;MM337303;C#CC(F)C=C(CC)CO;OQLYHODLDIYLNP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337304;MM337304;C#CC1(C=O)NC1C(=C)C;XLIWGDAONQATJC-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337305;MM337305;C#CC(F)C=C(CN)CN;CRWPDPCQDVBJLO-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337306;MM337306;C#CC1(C#N)NC1C(=C)C;HTJOZWFCUMXFKG-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337307;MM337307;C#CC(F)C=C(CO)CO;CSDWPXNYOPZKHM-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337308;MM337308;N#CC12CC(CO)CC1C2;RLCZSVADUPWMTG-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337309;MM337309;C#CC(C)C=C(CC)OC;WPBHZRCUFRKXNU-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337310;MM337310;C=NNC=NN=CCCC;IQGBCHCASKFHKD-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337311;MM337311;C#CC(C)C=C(CN)OC;BHEZDIFOWPKBAY-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337312;MM337312;C=NNC=NN=CCOC;RLXIOIKSPUMQEJ-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337313;MM337313;C#CC(N)C=C(CC)OC;QSOHZBQPAOYQFM-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337314;MM337314;C#CC1(C=C)NC1C(=N)N;GSZDECGNURLFKL-UHFFFAOYSA-N;135.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337315;MM337315;C#CC(N)C=C(CN)OC;FHRPBVKOYZFVHY-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337316;MM337316;C#CC1(C=O)NC1C(=N)N;LKRHXUCQLJXXLX-UHFFFAOYSA-N;137.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337317;MM337317;C#CC(O)C=C(CC)OC;LYAIFBMJYDXHAQ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337318;MM337318;C#CC1(C#N)NC1C(=N)N;SXRBMATUALROQQ-UHFFFAOYSA-N;134.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337319;MM337319;C#CC(F)C=C(CC)OC;DNAQMJNUMVDFCR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337320;MM337320;C=NNC=NN=CC=CN;XDBRZSMBPOWEED-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337321;MM337321;C#CC(F)C=C(CN)OC;RPAFOQYZHFZCRG-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337322;MM337322;C#CC1(C#N)NC1C(N)=O;VMARQSWNLZACJK-UHFFFAOYSA-N;135.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337323;MM337323;C#CC(C)N=C(NC)NC;YDFXPDCYPGTCRM-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337324;MM337324;C#CCON=C(C)C(=O)O;WFJSOFHTBACPJY-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337325;MM337325;C#CC(C)N=C(NN)NN;MQQSWBPURGHNDB-UHFFFAOYSA-N;141.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337326;MM337326;Oc1c(F)n[nH]c1F;JUNAKFYZVREBAF-UHFFFAOYSA-N;120.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337327;MM337327;CC1C(C=O)C1CCO;SOCKBPFYBVZMJK-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337328;MM337328;CCC(=CC(=O)O)C(N)=O;LMYRDJXNORORJZ-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337329;MM337329;C=CC(=CC(C)CC)CC;NODUPVHATRIZGI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337330;MM337330;C#CC1(C=C)NC1C(=C)F;QDUTZHGEPANXLZ-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337331;MM337331;C=CC(=CC(C)CN)CC;BMTOTBXSUWFDFT-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337332;MM337332;C#CC1(C=O)NC1C(=C)F;PHXQOCZTPKRRHE-UHFFFAOYSA-N;139.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337333;MM337333;CC1C(CO)=CC2CC21;LZQRBGCOZIBJKW-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337334;MM337334;C#CC1(C#N)NC1C(=C)F;CCXKTODIPLBCGD-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337335;MM337335;C=CC(=CC(C)CF)CC;HWMZFCQZYMEWLM-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337336;MM337336;C#CC1(C=C)OC1C(=C)C;IQZTVJVIJFCTCJ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337337;MM337337;CCC(C=O)=CC(C)CC;QIGCGDCFWNJJRV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337338;MM337338;C#CC1(C=O)OC1C(=C)C;CSBHZINBALBHIZ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337339;MM337339;CCC(C#N)=CC(C)CC;PBAFZAMIQHWUGS-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337340;MM337340;C#CC1(C#N)OC1C(=C)C;ZCOMXRKMKLUZFW-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337341;MM337341;CC(C)(C)C(C)(C)C(N)=O;SSZQEHNUYPQGII-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337342;MM337342;C#CC1(C=C)OC1C(C)=O;SZMLICVOAHJBJB-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337343;MM337343;CCC(C)C(C)(C)C(N)=O;RUBTXJHNGCJRGT-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337344;MM337344;C#CC1(C=O)OC1C(C)=O;QHLSHQQWUDISKZ-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337345;MM337345;CCC(C=O)=CC(C)CF;FTJYGXRWBHTHKG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337346;MM337346;C#CC1(C#N)OC1C(C)=O;VGCOYZZWGOOUOK-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337347;MM337347;CCC(C#N)=CC(C)CF;XGMBKTSSJMZQTH-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337348;MM337348;C#CC1(C=C)OC1C(=N)N;FQJQIAUHROXOPI-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337349;MM337349;C=CC(=CC(C)CC)CN;VLSJFUNJFXYOBY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337350;MM337350;C#CC1(C=O)OC1C(=N)N;NHMYCPZSTRFMFD-UHFFFAOYSA-N;138.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337351;MM337351;C=CC(=CC(C)CO)CN;JGPQUTHGKVTWRY-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337352;MM337352;C#CC1(C#N)OC1C(=N)N;ULKBSMZABXPMER-UHFFFAOYSA-N;135.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337353;MM337353;C=CC(=CC(C)CF)CN;NYATXFYZIDFZDA-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337354;MM337354;C#CC1(C#N)OC1C(N)=O;LJOKQOTWCDHWSK-UHFFFAOYSA-N;136.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337355;MM337355;C=CC(=CC(C)CC)CO;MJCGDEVKZUJWHG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337356;MM337356;CC1=C(N)C(=CO)N=N1;FNVZSKOFNSSBTM-UHFFFAOYSA-N;125.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337357;MM337357;C=CC(=CC(C)CN)CO;LTIOPWCVKWFAHW-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337358;MM337358;C#CC1(C=C)OC1C(=C)F;QSFQBAHZKNLVSU-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337359;MM337359;CCC(C)C=C(C=O)CO;YCSKYUQRTBQEIF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337360;MM337360;C#CC1(C=O)OC1C(=C)F;OIYQKKKQQFXIEM-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337361;MM337361;CCC(C)C=C(C#N)CO;SRRLDRCFLNRUGX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337362;MM337362;C#CC1(C=C)CN1C(C)=N;DNJAPWOBGNNLOK-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337363;MM337363;CC(C=C(C=O)CO)CO;CRHQPZCTBGPKPF-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337364;MM337364;C#CC1(C=C)CN1C(C)=O;AXPRCTOUZIRWSO-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337365;MM337365;C=CC(=CC(C)CC)CF;DLENERRPYVSLFV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337366;MM337366;C#CC1(C=O)CN1C(C)=O;CBJIISVRJVKJEL-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337367;MM337367;C=CC(=CC(C)CN)CF;YLDNWEIEZMOGNO-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337368;MM337368;C#CC1(C#N)CN1C(C)=O;GKACIDNBBONNII-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337369;MM337369;CCC(C)(C(N)=O)C(C)C;PBAKABHKGOBAFP-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337370;MM337370;C#CC1(C=C)CN1C(=N)N;PMRDZMAMPQUPLS-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337371;MM337371;C=CC(=CC(C)CF)CF;YFBNZPHLIZZMJR-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337372;MM337372;C#CC1(C=O)CN1C(=N)N;GSJTZZSXQHAQAW-UHFFFAOYSA-N;137.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337373;MM337373;CCC(C)C=C(C=O)CF;XLEFFAXQXLTSKX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337374;MM337374;C#CC1(C=C)CN1C(N)=O;FJRMFTMJAKFNTG-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337375;MM337375;CCC(C)C=C(C#N)CF;XUCTZUUGMCEXDO-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337376;MM337376;C#CC1(C=O)CN1C(N)=O;FJUOBMKAIYJLKA-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337377;MM337377;CC(C=C(C=O)CF)CF;MHUGTHMQCSNKKH-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337378;MM337378;C#CC1(C#N)CN1C(N)=O;ZYDFRIIMKXNPDX-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337379;MM337379;C=CC(=CC(N)CC)CC;JRADXBDQYCVHIZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337380;MM337380;C#CC1(C#C)CC1C(=C)C;BMKNZTHOEHCSMW-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337381;MM337381;C=CC(=CC(N)CF)CC;BVXADAFHPSHPCQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337382;MM337382;C#CC1(C#C)CC1C(C)=O;UOVNOIUNBZYRTA-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337383;MM337383;C=CC(=CC(N)CN)CN;CSDCIBCDWXBAGK-UHFFFAOYSA-N;141.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337384;MM337384;C=CC(=CC(N)CO)CN;AHTCVTZEOOTPMK-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337385;MM337385;C#CC1(C#C)CC1C(=N)N;SNHGPHNIFAZVDA-UHFFFAOYSA-N;132.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337386;MM337386;C=CC(=CC(N)CN)CO;GATYLXIMAZVAQC-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337387;MM337387;C#CC1(C#C)CC1C(N)=O;JOAPXXJJKCUTDR-UHFFFAOYSA-N;133.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337388;MM337388;C=CC(=CC(N)CO)CO;GSZXIMPTAZCXDM-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337389;MM337389;C#CC1(C#C)CC1C(=O)O;BEFMMSFXAGHHRD-UHFFFAOYSA-N;134.13;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337390;MM337390;C=CC(=CC(N)CC)CF;NPUGENUTJWRNKJ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337391;MM337391;C#CC1(C#C)CC1C(=C)F;PMRYSJZIZBUJDW-UHFFFAOYSA-N;134.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337392;MM337392;C=C(C)CCC(=C)CCO;FEYJPYDGTGGQKH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337393;MM337393;C#CC1(C#C)NC1C(=C)C;XNULYBZCFVODJX-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337394;MM337394;C=CC(=CC(O)CO)CC;TWZPTCCPUHQQAX-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337395;MM337395;C#CC=NNC=NN=CC;NNKDKAGJIJHNBG-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337396;MM337396;C=CC(=CC(O)CF)CC;UTIPJMFQTOYJDK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337397;MM337397;C#CC1(C#C)NC1C(=N)N;OBUMMJGLMGGOQA-UHFFFAOYSA-N;133.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337398;MM337398;CCC(C=O)=CC(O)CC;KQFULGBVCLVHLP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337399;MM337399;C=NN1C(C)C1CCC=O;OKFUKBUPZXBLDO-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337400;MM337400;CCC(C#N)=CC(O)CC;NZAPZTYISKCSGV-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337401;MM337401;C=CC(OC=NO)C(=O)O;GXGSCAVBUVBDOF-UHFFFAOYSA-N;145.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337402;MM337402;CCC(C=O)=CC(O)CO;AKZHVNDWFOSRFL-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337403;MM337403;C#CC1(C#C)NC1C(=C)F;DDTZCIULPNQSSE-UHFFFAOYSA-N;135.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337404;MM337404;CCC(C#N)=CC(O)CO;GMPOIUOIPDBBNX-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337405;MM337405;C#CC1(C#C)OC1C(=C)C;ITGGDFWZMPYHAE-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337406;MM337406;CCC(C#N)=CC(O)CF;WCUFDZQVCUVHSF-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337407;MM337407;C#CC1(C#C)OC1C(C)=O;DXBZLUKVWYOYMT-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337408;MM337408;C=CC(=CC(O)CC)CN;GCDJVDQDXDRQAQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337409;MM337409;C#CC1(C#C)OC1C(=N)N;SYGBQHVDMGXELJ-UHFFFAOYSA-N;134.14;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337410;MM337410;C=CC(=CC(O)CN)CN;XJEOQRITOUKHSW-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337411;MM337411;C#CC1(C#C)OC1C(N)=O;KDFFZYXULBHIOJ-UHFFFAOYSA-N;135.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337412;MM337412;C=CC(=CC(O)CO)CN;YYJCHFVXFZNIAV-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337413;MM337413;Nn1cc(O)nn1;KMKZCWYDPIDRIS-UHFFFAOYSA-N;100.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337414;MM337414;C=CC(=CC(O)CF)CN;XJSYOHQRADRFQP-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337415;MM337415;C#CC1(C#C)OC1C(=C)F;NHYGPAOJJOTXHP-UHFFFAOYSA-N;136.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337416;MM337416;C=CC(=CC(O)CC)CO;KVGTYZRCOOVOND-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337417;MM337417;C#CC1(C#C)CN1C(C)=O;SVXQYGAYSMSCBG-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337418;MM337418;C=CC(=CC(O)CN)CO;OCCJNLHOSQIVKI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337419;MM337419;C#CC1(C#C)CN1C(=N)N;FWGOIBODRSCINI-UHFFFAOYSA-N;133.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337420;MM337420;C=CC(=CC(O)CO)CO;OPCPBBQJHYZMPN-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337421;MM337421;C#CC1(C#C)CN1C(N)=O;BKGJCVGPMNNHDR-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337422;MM337422;CCC(O)C=C(C=O)CO;ADAQKXLXKHGZJT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337423;MM337423;CCC1(CC)CCC(C)C1;CEOARFWWAVGZNM-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337424;MM337424;CCC(O)C=C(C#N)CO;IZPRZKKKBMHAMO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337425;MM337425;CCC1(CN)CCC(C)C1;QRCQKGDFFVCJRY-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337426;MM337426;O=CC(=CC(O)CO)CO;XKMPPJUJOHRZFR-UHFFFAOYSA-N;146.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337427;MM337427;O=CC1CCN(C=O)NC1;FGGBFOJQSILJMX-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337428;MM337428;N#CC(=CC(O)CO)CO;PQAUINDEBGJLSA-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337429;MM337429;CC1CCC(CN)(CN)C1;DCYHCSPCGVBIJM-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337430;MM337430;N#CC(=CC(O)CF)CO;KWEVQZPMHOHEGF-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337431;MM337431;CC1CCC(CN)(CO)C1;YNRVZAZOBBROKR-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337432;MM337432;C=CC(=CC(O)CC)CF;CNXGDUBETZPLKX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337433;MM337433;CCC1(CC)CCC(N)C1;MHDLPSIYTAWGEW-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337434;MM337434;C=CC(=CC(O)CN)CF;DNXNGJZPJJHUHN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337435;MM337435;CCC1(CN)CCC(N)C1;ZLFWIAKYQFAMNC-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337436;MM337436;C=CC(=CC(O)CF)CF;SXKPGFRSRWVVEC-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337437;MM337437;CCC1(CO)CCC(N)C1;WGYAHQSDWHVTQD-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337438;MM337438;CCC(O)C=C(C=O)CF;JZXWEZXPNCYPLP-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337439;MM337439;NCC1(CN)CCC(N)C1;HYQWCHBLDQBACV-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337440;MM337440;CCC(O)C=C(C#N)CF;ZFVNYUASOQQZIK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337441;MM337441;NC1CCC(CO)(CO)C1;MLMBVRWCRYMUNF-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337442;MM337442;O=CC(=CC(O)CO)CF;XXCOBXCSBRLFGZ-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337443;MM337443;CCC1CC1CO;BGKKZLRPGJYFIP-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337444;MM337444;N#CC(=CC(O)CO)CF;PQQRIRRXFDUIPA-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337445;MM337445;CCC1(CN)CCC(O)C1;FOTDSEPSXFEPOT-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337446;MM337446;C=CC(=CC(F)CC)CC;BYTYMOUBLKRPSS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337447;MM337447;CCC1(CO)CCC(O)C1;RFQHKGPHQKOCRY-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337448;MM337448;C=CC(=CC(F)CN)CC;PMPJEWODLBLVJP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337449;MM337449;NCC1(CN)CCC(O)C1;WKSHALKOOHZOAH-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337450;MM337450;C=CC(=CC(F)CO)CC;QBMOBFYRLUEMCF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337451;MM337451;OCC1(CO)CCC(O)C1;YRDDFCWRFGSYBC-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337452;MM337452;C=CC(=CC(F)CF)CC;XNMSEQKZEYEEFT-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337453;MM337453;CCC1(CC)CCC(F)C1;HATXGDAAKSSQCJ-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337454;MM337454;CCC(C#N)=CC(F)CC;XMSCDRMKMBZFGC-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337455;MM337455;CCC1(CN)CCC(F)C1;VYUIPUAVFRMJOK-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337456;MM337456;CCC(C#N)=CC(F)CO;CZLPXKSNMJITKI-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337457;MM337457;CCC1(CO)CCC(F)C1;YZAAONBNIKWMDX-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337458;MM337458;C=CC(=CC(F)CC)CN;OMWCRZOWSZRHKH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337459;MM337459;CCC1(NC)CCC(N)C1;UJFCTTQQAPSUIJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337460;MM337460;C=CC(=CC(F)CO)CN;HPIFCAFUHYSXJB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337461;MM337461;CNC1(CN)CCC(N)C1;FHRJVVZLXNCNOQ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337462;MM337462;C=CC(=CC(F)CC)CO;JMOZHDWTWRZGQY-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337463;MM337463;CCC1(NC)CCC(O)C1;AOYBINSMATVDLE-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337464;MM337464;C=CC(=CC(F)CN)CO;XXQRXKGSQZYYHA-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337465;MM337465;CNC1(CN)CCC(O)C1;PBIOCZWTUYWCRL-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337466;MM337466;C=CC(=CC(F)CO)CO;BZOPWJKYRAQRMV-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337467;MM337467;CCC1(NC)CCC(F)C1;NOJIBIHDGRUMFW-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337468;MM337468;C=CC(=CC(F)CC)CF;NFCZDRCMBYYGTQ-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337469;MM337469;CCC1(OC)CCC(C)C1;UCQBVNLUUBRXMT-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337470;MM337470;C=CC(=CC(F)CF)CF;MQRXUIXHQRGCFK-UHFFFAOYSA-N;150.14;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337471;MM337471;CCC1(OC)CCC(N)C1;ZSAXDWWOCIFODE-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337472;MM337472;O=CC(=CC(F)CF)CF;DVGXSKKDIDVLTR-UHFFFAOYSA-N;152.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337473;MM337473;COC1(CN)CCC(N)C1;KFPQXVFYHDUCPM-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337474;MM337474;N#CC(=CC(F)CF)CF;LMVALVYNZOCHPV-UHFFFAOYSA-N;149.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337475;MM337475;CCC1(OC)CCC(O)C1;BCIVOIZSMYPJRU-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337476;MM337476;C=CC(=CC(C)NC)CC;VPXXESMRAXYVFK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337477;MM337477;CCC1(OC)CCC(F)C1;LMULBWGWCSKYHF-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337478;MM337478;CCC(C=O)=CC(C)NC;GWAKXJSZTPRDFA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337479;MM337479;CCC1(CC)CNC(C)C1;UDBMQFFUQAZCAT-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337480;MM337480;CCC(C#N)=CC(C)NC;DDJBPLCWISXRLD-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337481;MM337481;CCC1(CN)CNC(C)C1;SPAJLWAZHNFVQE-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337482;MM337482;C=CC(=CC(C)OC)CC;GKCNZHSSSHKCPU-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337483;MM337483;CCC1(CO)CNC(C)C1;OWMBAHUBYPGFFK-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337484;MM337484;CCC1(NC)CNC(C)C1;XKWKCOMGDKBTJN-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337485;MM337485;CCC(C#N)=CC(C)OC;CFADVFYGGJLATM-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337486;MM337486;CCC1(CC)COC(C)C1;AAOMSZQOLQAHLT-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337487;MM337487;C=CC(=CC(C)OC)CN;OUXTYIMDZJUPHI-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337488;MM337488;CCC1(CN)COC(C)C1;UGAFQUXQCODWIH-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337489;MM337489;C=CC(=CC(C)OC)CO;ZFCMRIPMGPTNTR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337490;MM337490;CCC1(CO)COC(C)C1;OTIMFKJBLTXWRW-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337491;MM337491;COC(C)C=C(C=O)CO;XTIUDBLVRLEVGK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337492;MM337492;CCC1(CC)CC(C)CN1;HCZPQQGYNVGUOZ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337493;MM337493;C=CC(=CC(C)OC)CF;YSMDRCAHFYRYNY-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337494;MM337494;CC1CNC(CN)(CN)C1;QGOFYAMBJZGQQS-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337495;MM337495;COC(C)C=C(C#N)CF;PFPWIMXWJXEHQW-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337496;MM337496;CCC1(CN)CC(N)CN1;SYVKMUNDEIZDED-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337497;MM337497;C=CC(=CC(C)CC)OC;VPHVCXUVAYEZPF-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337498;MM337498;CCC1(CN)CC(O)CN1;BXMGGIBJMYWHEL-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337499;MM337499;C=CC(=CC(C)CO)OC;WBLLFMIIQVFPLN-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337500;MM337500;NCC1(CN)CC(O)CN1;RWIVREDZLFKNDS-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337501;MM337501;C=CC(=CC(C)CF)OC;ZWFFBNUIOQFXBK-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337502;MM337502;CCC1(CC)CC(F)CN1;PPGZGSFUENCYCJ-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337503;MM337503;CCC(C)C=C(C=O)OC;BVVPKEMMPXJIFF-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337504;MM337504;CCC1(CN)CC(F)CN1;FKOHZUNZXIEIAK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337505;MM337505;CCC(C)C=C(C#N)OC;COVPSFMQBMJDFM-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337506;MM337506;CCC1(CC)CC(O)CO1;HXHXCPKOFVYRBD-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337507;MM337507;C=CC(=CC(N)CC)OC;VSBYWWCTMFKPCV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337508;MM337508;CCC1(OC)CC(C)CO1;HEVMUEVZSLLTPX-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337509;MM337509;C=CC(=CC(O)CC)OC;CEEVAZPHQFDDIJ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337510;MM337510;CCC1(CC)CCC(C)N1;VHDBSHMPCCNWCA-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337511;MM337511;CCC(O)C=C(C#N)OC;XIFCCGROUAEYMM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337512;MM337512;CCC1(CN)CCC(C)N1;SYYHMYNCAXWFEF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337513;MM337513;CCC1(CN)CCC(C)O1;KSHTUSDPZWVNBK-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337514;MM337514;COC(C=O)=CC(O)CO;JSHNJCWPARORJA-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337515;MM337515;CCC1(OC)CCC(C)O1;UCDIKOIUPWTWOP-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337516;MM337516;COC(C#N)=CC(O)CO;OKVYCOOUQVPBGC-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337517;MM337517;CCC1(CC)CCN(C)C1;IUMJXEPLBAPRJX-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337518;MM337518;COC(C=O)=CC(O)CF;UWHSOHVIKHEMML-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337519;MM337519;CCC1(CN)CCN(C)C1;RPZRDZYQCCBJNR-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337520;MM337520;C=CC(=CC(F)CC)OC;ZFDXZPVUKKLYET-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337521;MM337521;CCC1(CO)CCN(C)C1;HGBXBROXVFRJTJ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337522;MM337522;C=CC(=CC(F)CO)OC;FLAIFDKYRJJIQS-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337523;MM337523;CCC1(CF)CCN(C)C1;YMAXNIXPOWJLJZ-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337524;MM337524;C=CC(=CC(F)CF)OC;CLQYSSJWIHSHAY-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337525;MM337525;CN1CCC(CN)(CN)C1;AIGCNWSQOZWFFE-UHFFFAOYSA-N;143.23;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337526;MM337526;CCC(F)C=C(C#N)OC;IUJBUXOCBPRISX-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337527;MM337527;CN1CCC(CN)(CO)C1;VRPKOGOQEIYUHO-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337528;MM337528;COC(C=O)=CC(F)CO;GQNHAUNOQIKFJP-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337529;MM337529;CCC1(NC)CCN(C)C1;OETLARZIECMTQL-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337530;MM337530;C=CC(=CC(C)OC)OC;VDFHHVKOJHOMME-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337531;MM337531;CNC1(CN)CCN(C)C1;NBIQHCYOTLKMST-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337532;MM337532;COC(C=O)=CC(C)OC;YXRXZXLLQUETJE-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337533;MM337533;CNC1(CO)CCN(C)C1;UBYFLVGINDLCFX-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337534;MM337534;COC(C#N)=CC(C)OC;JZRHSDQFETWNIR-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337535;MM337535;CCC1(OC)CCN(C)C1;PWSZGEPQQSJCIM-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337536;MM337536;CCC(C=O)=CN(C)CC;QDVLCAPPNLVGGV-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337537;MM337537;COC1(CN)CCN(C)C1;DYNBCURNGJFUCM-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337538;MM337538;CCC(C#N)=CN(C)CC;WCERJDUMBZGWJQ-UHFFFAOYSA-N;138.21;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337539;MM337539;COC1(CO)CCN(C)C1;ASCWOMBSOGDMHE-UHFFFAOYSA-N;145.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337540;MM337540;C=CC1(CC)CCC(C)C1;WERDUAOKUJMTAT-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337541;MM337541;CCN(C)C=C(C=O)CF;JBIUMPQBEGOZKR-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337542;MM337542;CCC1(C=O)CCC(C)C1;LCUMAAOLZYFJLF-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337543;MM337543;CCN(C)C=C(C#N)OC;WOYJRKFFPGFYBR-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337544;MM337544;C=CC1(CC)CCC(N)C1;CPTDWXFUXQQMLE-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337545;MM337545;CCC(C=O)=NN(C)CC;DBIQTROJUAIABK-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337546;MM337546;C=CC1(CO)CCC(N)C1;LCDQJJHKOLHBPC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337547;MM337547;C=CC(=CC(C)C=C)CC;SRNWDZAUCDMMMU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337548;MM337548;C=CCC(C)CCO;YMTRRNPGRBDHDL-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337549;MM337549;C=CC(=CC(C)C=O)CC;VCEVHCLZMIJLEY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337550;MM337550;C=CC1(CN)CCC(O)C1;METBHIKBWMCNNM-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337551;MM337551;C=CC(=CC(C)C#N)CC;BGVSGUSYMOFCLC-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337552;MM337552;C=CC1(CO)CCC(O)C1;OKUWDUGLFSGJRB-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337553;MM337553;C=CC(C)C=C(C#N)CC;MITVMDQWFCNERQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337554;MM337554;N#CC1(CO)CCC(O)C1;DWDBVFWFOXBBMA-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337555;MM337555;CCC(C=O)=CC(C)C=O;JBSGSMTVUGOMRA-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337556;MM337556;C=CC1(CC)CCC(F)C1;QTRZSWAOBBCMRH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337557;MM337557;CCC(C#N)=CC(C)C=O;LGPSMKDJPYMLSE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337558;MM337558;N#CC1(CO)CCC(F)C1;WAMMEASOXWULGU-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337559;MM337559;CCC(C#N)=CC(C)C#N;JJSSGYYQVMDOOA-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337560;MM337560;C=CC1(NC)CCC(C)C1;ITFLOWPPLWLIIH-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337561;MM337561;C=CC(=CC(C)C=C)CN;YSUFBWITUVNYPL-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337562;MM337562;CNC1(C#N)CCC(C)C1;ROCQEWIARRDRPH-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337563;MM337563;C=C(CCO)CC(C)CF;LESCBHSSPOLXFU-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337564;MM337564;C=CC1(NC)CCC(N)C1;GIQRJOCZVLVCTC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337565;MM337565;C=C(CCO)CC(O)CC;MSWRMJFFQAUKFW-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337566;MM337566;C=CC1(NC)CCC(O)C1;OREDYOWWIAESLJ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337567;MM337567;CC(C#N)C=C(C=O)CO;NZXATOXHPWXUMZ-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337568;MM337568;CC(CC=O)CCO;OELRMAJYFPFOPY-UHFFFAOYSA-N;116.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337569;MM337569;CC(C=O)C=C(C#N)CO;DUDBQYAWQVAQSU-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337570;MM337570;C=CC1(NC)CCC(F)C1;WQNDPMGUFJBCFQ-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337571;MM337571;C=CC(=CC(C)C=C)CF;HNHMQWNIYRDYSF-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337572;MM337572;CNC1(C#N)CCC(F)C1;WTBLZBBMAPGPTC-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337573;MM337573;C=CC(=CC(C)C#N)CF;JGEPOWCQCAAKPL-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337574;MM337574;C=CC1(OC)CCC(C)C1;GLLACSMRZIINGN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337575;MM337575;C=CC(C)C=C(C#N)CF;UOOAIFZRESTWHQ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337576;MM337576;COC1(C#N)CCC(C)C1;APLTXZWINTWWCU-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337577;MM337577;CC(C=O)C=C(C=O)CF;FJWFPVIHKGJPRK-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337578;MM337578;C=CC1(OC)CCC(N)C1;ZXUCNRHDJNMJIR-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337579;MM337579;C=CC(=CC(N)C=C)CC;NDWXIXCSFNNJJO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337580;MM337580;COC1(C#N)CCC(O)C1;ODXIENFHXRYLPQ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337581;MM337581;C=CC(=CC(N)C=C)CF;FILNCRFNUBXMPY-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337582;MM337582;COC1(C=O)CCC(F)C1;MQIUHEFRDXBLDK-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337583;MM337583;C=C(CCO)CC(C)OC;NLRIYAPWEVXVJV-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337584;MM337584;COC1(C#N)CCC(F)C1;RTDOUDHREOTJCF-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337585;MM337585;C=CC(=CC(O)C=O)CC;OLNADUWLYDTSDK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337586;MM337586;C=CC1(CC)CNC(C)C1;KNEAZPXWCWSFOU-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337587;MM337587;C=CC(=CC(O)C#N)CC;CFGFECMLLLMGAJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337588;MM337588;CCC1(C=O)CNC(C)C1;TXRRSPOEFSZGFK-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337589;MM337589;C=CC(O)C=C(C=O)CC;GSCPJGUBWORBBH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337590;MM337590;CCC1(C#N)CNC(C)C1;YNNLXNMEBXGEEB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337591;MM337591;C=CC(O)C=C(C#N)CC;HZVKOVTWTDLYLY-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337592;MM337592;C=CC1(CO)CNC(C)C1;LMNHOBUUPBZUOZ-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337593;MM337593;CCC(C=O)=CC(O)C=O;YTEMHQZFRAERCG-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337594;MM337594;CC1CC(C#N)(CO)CN1;FSCSMPAPTVXMEQ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337595;MM337595;C=CC(=CC(O)C=C)CO;OZEFTPBLJRUDTM-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337596;MM337596;C=CC1(NC)CNC(C)C1;KHWRAIMBPLQAOQ-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337597;MM337597;O=CC(=CC(O)C=O)CO;LVEQPVKGEYAVAP-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337598;MM337598;C=CC1(OC)CNC(C)C1;CLRBRCMKSFYZEB-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337599;MM337599;N#CC(=CC(O)C=O)CO;KMUBTWPUZSHCEY-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337600;MM337600;C=CC1(CC)COC(C)C1;GPCPVFUWLCSCRR-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337601;MM337601;N#CC(O)C=C(C=O)CO;RIXNPELKTKEYAV-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337602;MM337602;C=CC1(CN)COC(C)C1;MTWIUDNQFHKWKR-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337603;MM337603;N#CC(=CC(O)C#N)CO;IYTQFLULDXOBCL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337604;MM337604;CC1CC(C=O)(CO)CO1;OZCCBEFICGMCNX-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337605;MM337605;C=CC(=CC(O)C=C)CF;OIIYDWXKTFGYSD-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337606;MM337606;C=CC1(NC)COC(C)C1;JXCOHIWJPQRDIN-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337607;MM337607;C=CC(O)C=C(C=O)CF;AHSJQMALCNJISG-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337608;MM337608;CNC1(C#N)COC(C)C1;ACGONEYVGNBKSR-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337609;MM337609;C=CC(O)C=C(C#N)CF;ZMXJYVVNGUXBLU-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337610;MM337610;COC1(C#N)COC(C)C1;RSXFCQAHRRMGMO-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337611;MM337611;N#CC(=CC(O)C#N)CF;LJDZOYOZLPANKB-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337612;MM337612;C=CC1(CC)CC(C)CN1;LQLOVLBPQNMYEL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337613;MM337613;C=CC(=CC(F)C=C)CC;STJHNUDSTPGLNF-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337614;MM337614;CCC1(C=O)CC(C)CN1;QYVHUHHNLNGDMV-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337615;MM337615;C=CC(=CC(F)C=O)CC;LZSAPJRBNOJWHJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337616;MM337616;C=CC1(CO)CC(C)CN1;JUTKNXLNRFZHSB-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337617;MM337617;C=CC(F)C=C(C=O)CC;BDDXNNNICCTCQN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337618;MM337618;C=CC1(CN)CC(N)CN1;QMKXKLLXLCWHIK-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337619;MM337619;C=CC(F)C=C(C#N)CC;ZBQVMZDAJRVEIN-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337620;MM337620;C=C(C)C(C)CCO;ORARJWWBDWOCMZ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337621;MM337621;CCC(C=O)=CC(F)C#N;HSFCCVVGYVQRTF-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337622;MM337622;CCC1(C#N)CC(F)CN1;DOHXPGBOPJJNPY-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337623;MM337623;CCC(C#N)=CC(F)C#N;WNRFLZYNGCQHQA-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337624;MM337624;C=CC1(CN)CC(F)CN1;OQWZEADVUIUXBY-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337625;MM337625;C=CC(=CC(F)C=C)CN;VMBIWRNZXDWRJB-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337626;MM337626;C=CC(CC)CCO;LRKICXFRWQUFSZ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337627;MM337627;C=CC(=CC(F)C=C)CO;WJCOLQKHGLKSLD-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337628;MM337628;C=CC1(CC)CC(C)CO1;SSZFMJCFJJHNRI-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337629;MM337629;C=CC(=CC(F)C#N)CO;ILNBKVGUWBYBRE-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337630;MM337630;CCC1(C#N)CC(C)CO1;NLLJDPVDQDWIMC-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337631;MM337631;C=CC(=CC(F)C=C)CF;XDQKJXGLAQJVDF-UHFFFAOYSA-N;144.16;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337632;MM337632;C=CC1(CN)CC(C)CO1;YEHRQJUOKOVJCG-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337633;MM337633;C=CC(=CC(C)C=C)OC;AHJONFBGUVKLOA-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337634;MM337634;C=CC1(CN)CC(N)CO1;MUFDYGGBRPFJEL-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337635;MM337635;C=CC(=CC(C)C#N)OC;NUAHCTBSTBRUIX-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337636;MM337636;C=CC1(CN)CC(O)CO1;DJRKAVFALVWUAF-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337637;MM337637;C=CC(C)C=C(C#N)OC;VDJGIILNZCQJTQ-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337638;MM337638;CCC1(C#N)CC(F)CO1;NEDXZKMYKORWPO-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337639;MM337639;COC(C=O)=CC(C)C#N;RIWDTIKDNKCGNU-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337640;MM337640;C=CC1(CC)CCC(C)N1;ZZMXGFJVVNFCIA-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337641;MM337641;C=CC(=CC(N)C=C)OC;JZQNBVQFHYRTDJ-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337642;MM337642;CCC1(C=O)CCC(C)N1;HHAMCHDEORMHTE-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337643;MM337643;C=CC(=CC(O)C=C)OC;ARIAIAQGJXFQLS-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337644;MM337644;C=CC1(CN)CCC(C)N1;NKGGSYPKXXBLPS-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337645;MM337645;C=CC(=CC(O)C#N)OC;DGKLBKPPJKOLLI-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337646;MM337646;C=CC1(CC)CCC(C)O1;AGMHVVZPQDQHTE-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337647;MM337647;C=CC(O)C=C(C#N)OC;ZLEOLTMHXOVGHY-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337648;MM337648;CCC1(C#N)CCC(C)O1;XRIZCKAQEPZIOU-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337649;MM337649;COC(C#N)=CC(O)C=O;UIZQXNCSWZRSPM-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337650;MM337650;CCC1(C#N)OCC(C)O1;NRSGYQZMIARWPM-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337651;MM337651;C=CC(=CC(F)C=C)OC;CQXNQWSMYOGZPO-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337652;MM337652;C=CC1(CC)CCN(C)C1;PFYKAZYAYOWMPY-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337653;MM337653;C=CC(F)C=C(C=O)OC;ZTMXBWAWGFIWAF-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337654;MM337654;CCC1(C=O)CCN(C)C1;YEQFLHRLIXDNOV-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337655;MM337655;C=CC(F)C=C(C#N)OC;HCTSATRXXNEPLT-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337656;MM337656;C=CC1(CN)CCN(C)C1;SPUHRIGCHISTDY-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337657;MM337657;COC(C#N)=CC(F)C#N;GNPLNFPOBLYDRN-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337658;MM337658;C=CC1(CO)CCN(C)C1;SBYYVSSEDUZJSK-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337659;MM337659;C=CC(=CN(C)C=N)CC;RBAIXGKGUVEBKN-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337660;MM337660;C=CC1(OC)CCN(C)C1;ZTWYTSUKKUDMLJ-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337661;MM337661;C=CC(=CN(C)C=O)CC;IGPPYHPKRFDUJM-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337662;MM337662;C#CC1(CC)CCC(C)C1;NCNNABPVKBGXNE-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337663;MM337663;C=CC(=CN(C)C=O)CN;XJOSIYGMFRNGCL-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337664;MM337664;C#CC1(CN)CCC(C)C1;AFDSIRCAFUIUIG-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337665;MM337665;CN(C=N)C=C(C#N)CO;UPRVACJGYXZSJD-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337666;MM337666;CC=C1C=CC(O)C1;SPRDCJOKSWYPHO-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337667;MM337667;CN(C=O)C=C(C=O)CO;VXKQJZSLCGEJAH-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337668;MM337668;C#CC1(CC)CCC(N)C1;PKIBQLKVJOWCML-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337669;MM337669;C=CC(=CN(C)C=O)CF;KZVRWIHSNWRJDD-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337670;MM337670;C#CC1(CN)CCC(N)C1;ODVVKKCEVHNKIZ-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337671;MM337671;C=CC(=CN(N)C=O)CC;VMTHSSQBJYCRBS-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337672;MM337672;C#CC1(CO)CCC(N)C1;HBEJCGXFICGIIB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337673;MM337673;C=CC(=CN(N)C=N)CO;QUBDAVPIQLOKMQ-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337674;MM337674;CCCC1CC1CO;HWSZRFHMKHWNEP-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337675;MM337675;C=CC(=CN(O)C=N)CC;WZZGOEHLXVALNR-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337676;MM337676;C#CC1(CN)CCC(O)C1;RKZHMPLLMSJRSU-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337677;MM337677;C=CC(=CN(O)C=O)CC;YQCYVNHIFNLWCT-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337678;MM337678;C#CC1(CO)CCC(O)C1;BIGUBXYUUAPGJG-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337679;MM337679;C=CC(=CN(O)C=N)CN;UHNTZWWNJNKDBL-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337680;MM337680;C#CC1(CN)CCC(F)C1;MLHMCRMXSGYLAH-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337681;MM337681;C=CC(C)CC(=C)CCO;MGZIHPBWDRXSCF-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337682;MM337682;C#CC1(CO)CCC(F)C1;MRAYECDSRVTJCK-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337683;MM337683;C=NN(C)C=C(C=O)CF;SHSMDHZBOUIBET-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337684;MM337684;C#CC1(NC)CCC(C)C1;ODSLYPJEFZHIMA-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337685;MM337685;C=CC(=CN(C)C=O)OC;XLWLCRKVBZGDRR-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337686;MM337686;C#CC1(NC)CCC(N)C1;VYRCWTOHRHICLW-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337687;MM337687;C=CC(=CN(N)C=N)OC;XBEDCKRNXZGJAO-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337688;MM337688;C#CC1(NC)CCC(O)C1;ARJIKUHPHFVPRW-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337689;MM337689;C=CC(=CN(N)C=O)OC;VIZGIVNPZDDLMJ-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337690;MM337690;C#CC1(NC)CCC(F)C1;QQJZQIJJUBONRW-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337691;MM337691;CCC(C=O)=NN(C)C=O;AFOIAIFPXLGRQZ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337692;MM337692;C#CC1(OC)CCC(C)C1;GVQRRSSSDZLUHZ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337693;MM337693;C=CC(CN)=NN(C)C=O;BRXNOKZSRJVPRU-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337694;MM337694;C#CC1(OC)CCC(N)C1;FESFCZISTGCGBG-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337695;MM337695;C=C(CCO)CC(C)C=O;PDQASNVOWPADFC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337696;MM337696;C#CC1(OC)CCC(F)C1;LNFPSHNRGRHZSA-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337697;MM337697;C=C(CCO)CC(C)C#N;PQFHBTRNUTXLLO-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337698;MM337698;C#CC1(CC)CNC(C)C1;IADYLZRIQJFGRK-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337699;MM337699;CN(C=O)N=C(C#N)CF;ZLAUMQXPJDLELF-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337700;MM337700;C#CC1(CO)CNC(C)C1;VUWABJSVZNGCRR-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337701;MM337701;COC(C=O)=NN(C)C=N;ROFAPORVRGYCFM-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337702;MM337702;C#CC1(NC)CNC(C)C1;ZJQCORGXJWNWCJ-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337703;MM337703;COC(C#N)=NN(C)C=N;ICUKOWPTQXTONQ-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337704;MM337704;C#CC1(CC)COC(C)C1;AFNWVEXIBIIFBA-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337705;MM337705;COC(C=O)=NN(C)C=O;KPQPJCHHHHISLJ-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337706;MM337706;C#CC1(CN)COC(C)C1;QQNDHNJDDDWXAH-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337707;MM337707;C#CC1(CO)COC(C)C1;AOPQOTHTLAUVGO-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337708;MM337708;C#CC(C)C=C(C=C)CC;SNKAMTNFADKXSD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337709;MM337709;C#CC1(NC)COC(C)C1;IGIVRJAGRZAPIW-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337710;MM337710;C#CC(C)C=C(C=O)CC;YHWYSRDGQIKFSJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337711;MM337711;C#CC1(CC)CC(C)CN1;INOCGSHSQNCZQM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337712;MM337712;C#CC(C)C=C(C#N)CC;DVMOLRVABLYILS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337713;MM337713;C#CC1(CN)CC(C)CN1;JEFNRZSXINFZPU-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337714;MM337714;C#CC(C)C=C(C=C)CN;TXAWCJHLXACXPU-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337715;MM337715;C#CC1(CO)CC(C)CN1;STVFMHQEPNEHJQ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337716;MM337716;C#CC(C)C=C(C=C)CO;AIQBJOASAYQTNZ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337717;MM337717;C#CC1(CC)CC(N)CN1;LTWYXCDEPVEKGH-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337718;MM337718;C#CC(C)C=C(C#N)CO;LPJWDOLYRCBODX-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337719;MM337719;C#CC1(CN)CC(N)CN1;CENCZHCAGBHXER-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337720;MM337720;C#CC(C)C=C(C=C)CF;PTVHPBVGABKQEM-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337721;MM337721;C#CC1(CN)CC(O)CN1;HHSAOAYOJMGJQI-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337722;MM337722;C#CC(C)C=C(C=O)CF;ZQMQTANOWIHNAA-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337723;MM337723;C#CC1(CC)CC(F)CN1;QXSHXSZRLMPONF-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337724;MM337724;C#CC(C)C=C(C#N)CF;USMYJWMXMUKDFS-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337725;MM337725;C#CC1(CC)CC(N)CO1;UJBGAWJSASUDTN-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337726;MM337726;C#CC(N)C=C(C=C)CC;UEBCPVHRKIPBLK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337727;MM337727;C#CC1(CN)CC(N)CO1;WARVRKHFDRNLIY-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337728;MM337728;C#CC(N)C=C(C=C)CN;KGBDATGYOJQDGU-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337729;MM337729;C#CC1(CO)CC(N)CO1;HWOULCJARRIJEA-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337730;MM337730;C#CC(O)C=C(C=C)CC;OWGNXDUJSHFKTP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337731;MM337731;C#CC1(CO)CC(O)CO1;GJDGMCDKAQHUJD-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337732;MM337732;C#CC(O)C=C(C#N)CC;ZBFRQNBOAKTLDJ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337733;MM337733;C#CC1(CC)CC(F)CO1;HNEPSWHXJWKMOK-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337734;MM337734;C#CC(O)C=C(C=C)CN;HQPPTMHFPVFRNG-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337735;MM337735;C#CC1(CC)CCC(C)N1;LIPYAHLAIACIIR-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337736;MM337736;C#CC(O)C=C(C=C)CO;BGAZADCMASQESF-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337737;MM337737;C#CC1(CN)CCC(C)N1;XSUGMAYNIHYIBM-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337738;MM337738;C#CC1(CC)CCC(C)O1;JCEDKJUPFGOLAF-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337739;MM337739;C#CC(O)C=C(C=O)CF;IUXKHHJXWLBLPK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337740;MM337740;C#CC1(CN)CCC(C)O1;CLSISFJJJXADDB-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337741;MM337741;C#CC(F)C=C(C=C)CC;JFUIGXBYHNLZLJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337742;MM337742;C#CC1(CC)CCN(C)C1;NTVIWRJXLDESJL-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337743;MM337743;C#CC(F)C=C(C#N)CC;HVLJFOPYXQXQPB-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337744;MM337744;C#CC1(CN)CCN(C)C1;LUTAIVJCGWNWNZ-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337745;MM337745;C#CC(F)C=C(C=C)CN;CHUJADMQVUANHT-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337746;MM337746;C#CC1(NC)CCN(C)C1;MVXLNOULAUZLLE-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337747;MM337747;C#CC(F)C=C(C=C)CO;UCAKIDVUYDKKHX-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337748;MM337748;C=CC1(C=C)CCC(C)C1;ZOZGNNLODQYEBA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337749;MM337749;C#CC(F)C=C(C=O)CO;VKRKAGJUCHONAI-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337750;MM337750;C=CC1(C=O)CCC(C)C1;LKGSTOONBLPWAZ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337751;MM337751;C#CC(F)C=C(C#N)CO;ZCHITFUNRWCAEH-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337752;MM337752;C=CC1(C#N)CCC(C)C1;IKAVZRHVGRZTDK-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337753;MM337753;C#CC(C)C=C(C=C)OC;MQCHEVURNHLEMI-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337754;MM337754;CC1CCC(C#N)(C#N)C1;IXNZFRQDXBEACS-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337755;MM337755;C#CC(O)C=C(C=C)OC;PDRCHEGGGBRUIU-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337756;MM337756;C=CC1(C=C)CCC(N)C1;BPPBRNPIOLTUIN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337757;MM337757;C#CC(O)C=C(C=O)OC;GHVZJDCNSLEWIZ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337758;MM337758;OCC1CC1CCF;YEMYFLMNAAGLRE-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337759;MM337759;C#CC(F)C=C(C=C)OC;LCYGRFKVQQQUNB-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337760;MM337760;C=CC1(C=O)CCC(O)C1;NALWJFTWPAAKQQ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337761;MM337761;C#CC(F)C=C(C=O)OC;BNJHRROQRUKDCW-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337762;MM337762;C=CC1(C#N)CCC(O)C1;ZBTWEIYCFKQPJO-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337763;MM337763;C#CC(F)C=C(C#N)OC;SRBOYIGOGZLRQI-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337764;MM337764;O=CC1(C=O)CCC(O)C1;CRAFLCPOHGEDEG-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337765;MM337765;C#CC(=CC(C)CC)CC;AHGFEYNUQARAOT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337766;MM337766;N#CC1(C#N)CCC(O)C1;MUUIGQMWSOPYKT-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337767;MM337767;C=CC1(C=C)CCC(F)C1;MGBWPRZZRZZXHT-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337768;MM337768;C#CC(=CC(C)CN)CC;ZHQBIWLVAUAZRB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337769;MM337769;C=CC1(C=O)CCC(F)C1;MZJNSYSWHYRALS-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337770;MM337770;C=CC(O)CC(=C)CCO;VYGISHJASYBUCK-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337771;MM337771;C=CC1(C#N)CCC(F)C1;KFHBJWVDAJWVLR-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337772;MM337772;C#CC(=CC(C)CF)CC;DREXUVCMZXXBTK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337773;MM337773;O=CC1(C=O)CCC(F)C1;VZTUOQLOWKHTMP-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337774;MM337774;C#CC(=CC(C)CC)CN;UMYLUUOEKPCOIO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337775;MM337775;N#CC1(C#N)CCC(F)C1;OPXBPCSFMPDWLC-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337776;MM337776;C#CC(=CC(C)CO)CO;DHJXASUHCSOBPE-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337777;MM337777;C=CC1(C=C)CNC(C)C1;XRTMXOLTWLUVSH-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337778;MM337778;C#CC(=CC(C)CF)CO;VFVRDBIJWKHGRJ-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337779;MM337779;C=CC1(C=O)CNC(C)C1;GLTWKQBCXZIJFI-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337780;MM337780;C#CC(=CC(C)CC)CF;PXRDWZMJOGUNOO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337781;MM337781;C=CC1(C#N)CNC(C)C1;DJAKLHXTZUOJIJ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337782;MM337782;C#CC(=CC(C)CF)CF;MWWHCOHEQKLSFV-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337783;MM337783;C=CC1(C=C)COC(C)C1;JJQMHNDIGUWFKD-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337784;MM337784;C#CC(=CC(N)CC)CC;QOZUSDRHRDOUCT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337785;MM337785;CC1CC(C#N)(C=O)CO1;ZJELXXVOUAIFAL-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337786;MM337786;C#CC(=CC(N)CO)CC;HEFSOXMKGHFLBY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337787;MM337787;CC1CC(C#N)(C#N)CO1;NTHYRNYEMQKOQU-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337788;MM337788;C#CC(=CC(N)CF)CC;UBAFMLFNIXIFOM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337789;MM337789;C=CC1(C=C)CC(C)CN1;TYLNEJBFAOBWNU-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337790;MM337790;C#CC(=CC(N)CN)CN;BCSVRVJMFOXONE-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337791;MM337791;C=CC1(C#N)CC(C)CN1;DVRPHCUPPZTKLC-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337792;MM337792;C#CC(=CC(N)CO)CN;CPECGBQFIMVHSK-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337793;MM337793;CC1CNC(C#N)(C=O)C1;HEUFJFVRCDKDMU-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337794;MM337794;C#CC(=CC(N)CN)CO;HIMZOWJPQVPUIJ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337795;MM337795;CC1CNC(C#N)(C#N)C1;RPKDMKLYFCVVSL-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337796;MM337796;C#CC(=CC(N)CO)CO;HHDSAXOBYGGJDP-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337797;MM337797;C=CC1(C=C)CC(N)CN1;HPIAEIZRDWHAFU-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337798;MM337798;C#CC(=CC(N)CC)CF;SGWFBECZHQNUBJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337799;MM337799;C=CC1(C=C)CC(O)CN1;BJJQIGPBPGXCJX-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337800;MM337800;C#CC(=CC(N)CN)CF;BNEJHIRUPKNNNZ-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337801;MM337801;C#CCC(C)=CC(C)O;SREUOSNBXDZWRE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337802;MM337802;C#CC(=CC(N)CO)CF;VUOCSXUTYWELKG-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337803;MM337803;CC(CC=NN)CCO;DITGMXMSQLBNOJ-UHFFFAOYSA-N;130.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337804;MM337804;C=CC(F)CC(=C)CCO;QHDMFPKZGBJCEA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337805;MM337805;C=CC1(C=C)CC(F)CN1;XHKJJNWIZJTYKU-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337806;MM337806;C#CC(=CC(O)CN)CC;CMVATLDRBXZYDY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337807;MM337807;C=CC1(C#N)CC(F)CN1;ILGYUDBBDRUHEG-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337808;MM337808;C#CC(=CC(O)CF)CC;UJESDOWYFJQMNK-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337809;MM337809;N#CC1(C=O)CC(F)CN1;IBSYAWKYXVGIKC-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337810;MM337810;C#CC(=CC(O)CN)CN;FBYSOUVOMHFJJQ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337811;MM337811;N#CC1(C#N)CC(F)CN1;UFFUMNDNDBDHMO-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337812;MM337812;C#CC(=CC(O)CO)CN;KOFQZMWZXURDLW-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337813;MM337813;C=CC1(C=C)CC(C)CO1;UFFQBLPTZOKNLH-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337814;MM337814;C#CC(=CC(O)CN)CO;OEKBNLOWYHHPGW-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337815;MM337815;C=CC1(C#N)CC(C)CO1;FHWZWHDLOQBVMG-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337816;MM337816;C=CC1(C=C)CC(N)CO1;JNRGALGOUUDSKQ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337817;MM337817;C#CC(=CC(O)CO)CO;GDZOZRCCJOPCRM-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337818;MM337818;C=CC1(C#N)CC(O)CO1;YEAVNVVSEKWJMC-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337819;MM337819;C#CC(=CC(O)CO)CF;LGOXGVGIAIPASY-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337820;MM337820;C=CC1(C=C)CC(F)CO1;ZITNLFPYBCRZSS-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337821;MM337821;C#CC(=CC(F)CC)CC;MMHBWXVEQAAGPL-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337822;MM337822;C=CC1(C=C)CCC(C)N1;JJDVDZPNFDISAW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337823;MM337823;C#CC(=CC(F)CN)CC;PEFFATOIXUJPML-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337824;MM337824;C=CC1(C#N)CCC(C)N1;ZYOSPGFTSUABAW-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337825;MM337825;C#CC(=CC(F)CO)CC;IAJFTSSFMSBBSU-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337826;MM337826;CC1CCC(C#N)(C=O)N1;IQQAGSHIOBCNIA-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337827;MM337827;C#CC(=CC(F)CN)CO;WSBKTMFDBGZXAE-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337828;MM337828;CC1CCC(C#N)(C#N)N1;QCOKZFQAHFEVGI-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337829;MM337829;C#CC(=CC(C)NC)CC;AXFLLWAQQYXHSG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337830;MM337830;C=CC1(C=C)CCC(C)O1;RFHAEPFZIPWRAO-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337831;MM337831;C#CC(=CC(C)OC)CC;SHRLRAWGWSIUQG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337832;MM337832;C=CC1(C#N)CCC(C)O1;VOXBSVOWRYLLCE-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337833;MM337833;C#CC(=CC(C)OC)CF;DHTCFZQPGKHOMO-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337834;MM337834;CC1CCC(C#N)(C#N)O1;YWPFGHGPOJDDQG-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337835;MM337835;C#CC(=CC(C)CC)OC;PQXHBRXFKAPFPD-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337836;MM337836;C=CC1(C#N)COC(C)O1;VDGUAWUSAVLPOW-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337837;MM337837;C#CC(=CC(C)CN)OC;HSJMCSWMHRCXFE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337838;MM337838;CC1OCC(C#N)(C#N)O1;YPMWIWBXJQIEGQ-UHFFFAOYSA-N;138.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337839;MM337839;C#CC(=CC(C)CO)OC;ZSXJVXSVIZKIPP-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337840;MM337840;CC1COC(C#N)(C=O)O1;RZJRGPFNUNOYCY-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337841;MM337841;C#CC(=CC(C)CF)OC;DFAAZFJNXQSRLQ-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337842;MM337842;C=CC1(C=C)CCN(C)C1;OTXVDQZZZGJYKS-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337843;MM337843;C#CC(=CC(N)CC)OC;OMIDQLXLCJHMDQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337844;MM337844;C=CC1(C=O)CCN(C)C1;YGINSYILEHRTKE-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337845;MM337845;C#CC(=CC(N)CN)OC;IGXOEOJNZQZLJC-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337846;MM337846;CN1CCC(C#N)(C=O)C1;SNAAHXGSSWXEIJ-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337847;MM337847;C#CC(=CC(N)CF)OC;XKQNEIKELOMMDS-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337848;MM337848;C#CC(=CC(O)CC)OC;FRESOBFKAXXORP-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337849;MM337849;CN1CCC(C#N)(C#N)C1;GRRDRKJJSCWSLK-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337850;MM337850;C#CC(=CC(F)CC)OC;FSCPTKOIPQHNNV-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337851;MM337851;C#CC1(C=C)CCC(C)C1;BURIQRSZTSSBPC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337852;MM337852;C#CC1(C=O)CCC(C)C1;MGGLPOHKFAOTSN-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337853;MM337853;C#CC(=CC(C)OC)OC;CSLGWINBSGEFKE-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337854;MM337854;C#CC(=CC(C)C=C)CC;GUKHQEWDHRESCG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337855;MM337855;C#CC1(C#N)CCC(C)C1;KPFFKSXFFVFYES-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337856;MM337856;C#CC1(C=C)CCC(N)C1;APFMBNGXXZWGMG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337857;MM337857;C#CC(=CC(C)C=O)CC;RUYWGJRIXYMBRY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337858;MM337858;C=NOCC(=O)C#CC;RBKVCIWRHJCNOU-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337859;MM337859;C#CC(=CC(C)C#N)CC;DNTYVMJTKVYEPL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337860;MM337860;C#CC1(C=O)CCC(O)C1;AIXNKUNRANERET-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337861;MM337861;C#CC(=CC(C)C=C)CN;OOUUIAUSZYZLII-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337862;MM337862;C#CC1(C#N)CCC(O)C1;GPGLEFKFDNHMFB-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337863;MM337863;C#CC(=CC(C)C=C)CF;DERMISMKGUWZCT-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337864;MM337864;C#CC1(C=C)CCC(F)C1;DZXIEKXSWKCBMK-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337865;MM337865;C#CC(=CC(C)C=O)CF;RUWAICYTAVYEDA-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337866;MM337866;C#CC1(C=O)CCC(F)C1;HUZJTSOHKGVXHP-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337867;MM337867;C#CC(=CC(N)C=C)CC;ZZJXITCWADFIBC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337868;MM337868;C#CC1(C#N)CCC(F)C1;NHDANDSYLJWWET-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337869;MM337869;C#CC(=CC(N)C=C)CF;QVPJXPDKVGUBJV-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337870;MM337870;C#CC(=CC(O)C#N)CO;FPIULAVZGMNVLN-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337871;MM337871;C#CC1(C=C)CNC(C)C1;QKJOGIPINWGXKE-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337872;MM337872;C#CC(=CC(O)C=O)CF;KOYUQNKLHLXJRP-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337873;MM337873;C#CC1(C=O)COC(C)C1;HALVSUCTIMEZMC-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337874;MM337874;C#CC(=CC(F)C=C)CC;KCQJBQOHLMYQIN-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337875;MM337875;C#CC1(C#N)COC(C)C1;HTKYMTSZBIJZMG-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337876;MM337876;C#CC1(C=C)CC(C)CN1;HRCJWZVBGORUFD-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337877;MM337877;C#CC(=CC(F)C=O)CC;IBXMASCNBGXCPB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337878;MM337878;C#CC1(C=O)CC(C)CN1;CJNPAGJUZJPQQE-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337879;MM337879;C#CC(=CC(F)C#N)CC;XXSSOJKLBAZLKK-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337880;MM337880;C#CC1(C#N)CC(C)CN1;KKNLHCACBJPLBQ-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337881;MM337881;C#CC(=CC(F)C=C)CN;VQAZOEYGXLBNJP-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337882;MM337882;C#CC(=CC(F)C=O)CO;VEDFEHBZOAWIFP-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337883;MM337883;C#CC1(C=C)CC(N)CN1;OBNPOAWFTAZFKI-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337884;MM337884;C#CC1(C=C)CC(O)CN1;KDIDTYBFBRNXOY-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337885;MM337885;C#CC(=CC(F)C=C)CF;DGJXNVWYFSALLC-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337886;MM337886;C=C(CC)C(C)CCO;XJAZTNSWYYCDKG-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337887;MM337887;C#CC(=CC(C)C=C)OC;RQHLJCBWIMFVHT-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337888;MM337888;C#CC1(C#N)CC(F)CN1;VBWQBKMHRBYSRP-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337889;MM337889;C#CC(=CC(C)C=O)OC;JRPVZADOVMXIAO-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337890;MM337890;C#CC1(C=C)CC(N)CO1;UGYQZRNLCZWEOZ-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337891;MM337891;C#CC(=CC(C)C#N)OC;LEAPYBXPKOFUNR-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337892;MM337892;C#CC1(C=C)CC(O)CO1;DVLFXNBHEWCZFH-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337893;MM337893;C#CC(=CC(N)C=C)OC;ASIRNSQBGZAINA-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337894;MM337894;C#CC1(C=C)CC(F)CO1;KAICXHDDLXFXHF-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337895;MM337895;C#CC(=CC(O)C=O)OC;QSRCDSFTMNDNSQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337896;MM337896;C#CC1(C=O)CC(F)CO1;MEOGDWIUXOJFDW-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337897;MM337897;C#CC(=CC(F)C#N)OC;SSWFWOIUPDASQM-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337898;MM337898;C#CC1(C=C)CCC(C)N1;NWLQCXZEQZTLNY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337899;MM337899;C#CC(=CN(C)C=N)CN;MQWWRBQUUYFKCX-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337900;MM337900;C#CC1(C=O)CCC(C)N1;ZBSFHFNSFPRCIZ-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337901;MM337901;C#CC(=CN(C)C=O)CO;CMLCKDVSBGDYOB-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337902;MM337902;C#CC1(C#N)CCC(C)N1;LZNQGMSILYFGKL-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337903;MM337903;C#CC(=CN(N)C=O)CC;YWUFHYZRHMKIBW-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337904;MM337904;C#CC1(C=C)CCC(C)O1;LRBSZJQSAIYVQF-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337905;MM337905;C#CC(=CN(N)C=N)CO;XXFFIBVNKDPWFI-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337906;MM337906;C#CC1(C=O)CCC(C)O1;SHPAEWUJTBMEMT-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337907;MM337907;C#CC(C)CC(=C)CCO;PBJDTFAFHRWXCS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337908;MM337908;C#CC1(C#N)CCC(C)O1;UNWURCUQPOCMFX-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337909;MM337909;C=CC(C)C=C(C)CCO;YKOXNESBMNUZST-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337910;MM337910;C#CC1(C=C)COC(C)O1;UOKXGJYJDLVUPN-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337911;MM337911;C#CC(CO)=NN(C)C=O;SKFWSJIBNNEJOG-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337912;MM337912;C#CC1(C#N)COC(C)O1;RTJABXSGBHOQEU-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337913;MM337913;C#CC(=CC(C)C#C)CC;ASRKNSLCGGZYQR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337914;MM337914;C#CC1(C=O)OCC(C)O1;RSYCBERGPCFUIM-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337915;MM337915;C#CC(=CC(C)C#C)CO;UOLINJNLLOKBPY-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337916;MM337916;C#CC1(C=C)CCN(C)C1;QFNFWTUKETWVIO-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337917;MM337917;C#CC(=CC(C)C#C)CF;RNWKCUVCEYZRFT-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337918;MM337918;C#CC1(C=O)CCN(C)C1;UBALEYCELPLWNK-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337919;MM337919;C#CC(=CC(N)C#C)CC;HCDRURAVZQECET-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337920;MM337920;C#CC1(C#C)CCC(C)C1;FNFBHGMYQYDROJ-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337921;MM337921;C#CC(=CC(N)C#C)CN;IYTKONHGEZAXAW-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337922;MM337922;C#CC1(C#C)CCC(N)C1;CTIXBRVCNOYHOF-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337923;MM337923;C#CC(=CC(N)C#C)CF;WHZSNFYEOBIFDL-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337924;MM337924;C=C(CF)C(C)CCO;KSLCTBMABUATDU-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337925;MM337925;C#CC(=CC(O)C#C)CC;BXEHFZFNGNFFAM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337926;MM337926;C#CC1(C#C)CCC(F)C1;RFNYLXYPYZJSRE-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337927;MM337927;C#CC(=CC(O)C#C)CF;WBNXZOLNNBRIKD-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337928;MM337928;C#CC1(C#C)CNC(C)C1;WJUYVEDGLICJPR-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337929;MM337929;C#CC(=CC(F)C#C)CC;VRZIOCCLASIEBP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337930;MM337930;C#CC1(C#C)COC(C)C1;JGNMURKNCVSBIR-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337931;MM337931;C#CC(=CC(F)C#C)CN;CSZBFSUFVKZYOQ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337932;MM337932;C#CC1(C#C)CC(C)CN1;ZOBBWGIVRRPIPA-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337933;MM337933;C#CC(=CC(F)C#C)CO;KNOWIXOKQFMTFE-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337934;MM337934;C#CC1(C#C)CC(N)CN1;ZURLOGYHXLZBPV-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337935;MM337935;C#CC(=CC(F)C#C)CF;OSRZAPGWDVDOKD-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337936;MM337936;C#CC1(C#C)CC(C)CO1;HSLJBMSXMVTNET-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337937;MM337937;C#CC(=CC(C)C#C)OC;QHFFXWAXBIUDBK-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337938;MM337938;C#CC1(C#C)CC(N)CO1;IHOZBHYBFSRSGA-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337939;MM337939;C#CC(=CC(F)C#C)OC;CBFYWVJULZYBQG-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337940;MM337940;C#CC1(C#C)CC(O)CO1;UUNMGBABRXIBKX-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337941;MM337941;C=CC(C=C)=CC(C)CC;FXGQGKSWOAZMSW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337942;MM337942;C#CC1(C#C)CCC(C)N1;QHBFPFPOPKCYEF-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337943;MM337943;C=CC(C=C)=CC(C)CN;DSVVACAORGXPTL-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337944;MM337944;C#CC1(C#C)CCC(C)O1;ZKLJJKMRBQHXRB-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337945;MM337945;C=CCC(C)=CC(O)C=C;RADOLDIMZDRKJP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337946;MM337946;C#CC1(C#C)COC(C)O1;LMXMZHOHKZFMES-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337947;MM337947;C=CC(C=C)=CC(C)CF;YOQKMNLCSFBKMT-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337948;MM337948;C#CC1(C#C)OCC(C)O1;ZMERFVCXKOTVSQ-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337949;MM337949;C=CC(C=O)=CC(C)CC;HSFPWZHQQLSSLF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337950;MM337950;C#CC1(C#C)CCN(C)C1;SSOSVGLOKLRERG-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337951;MM337951;C=CC(C#N)=CC(C)CC;USJFJVOZZAISHR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337952;MM337952;C=C1CCC(CC)(CC)C1;ASOUFLPWFLARGO-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337953;MM337953;C=CC(O)C=C(C)CC=O;GIIGKNFKLPTZOB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337954;MM337954;C=C1CCC(CC)(CN)C1;VVGDAALKSSEYTC-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337955;MM337955;C=C(C)CN(C=O)CC=O;YHKKMOIADUFLAW-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337956;MM337956;CC(=CF)C(C)CCO;RUEQJGXMTXGUQJ-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337957;MM337957;C=CC(C=O)=CC(C)CF;JWOVZBNIKNQOLF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337958;MM337958;C=C1CCC(CN)(CO)C1;KCLKCYTYIXUGTC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337959;MM337959;C=CC(C#N)=CC(C)CF;WLCYPHCIVCQBPF-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337960;MM337960;C=C1CCC(CO)(CO)C1;VIQUTEJUVIWBCP-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337961;MM337961;C=CC(C=C)=CC(N)CC;LGYMUFOBKZAYEH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337962;MM337962;CCC1(CC)CCC(=O)C1;YOYDUWXZGAXLSV-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337963;MM337963;C=CC(C=C)=CC(N)CF;YBGIBMGTUVLPBA-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337964;MM337964;CCC1(CO)CCC(=O)C1;DLCNBDDYCHAAOT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337965;MM337965;C=CC(C)(C)CC1CC1O;GUVHFYDPBHVNAO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337966;MM337966;O=C1CCC(CO)(CO)C1;MFOXDUOGUCCNCM-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337967;MM337967;C=CC(C=C)=CC(O)CF;QWEHHIHXLZNKPC-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337968;MM337968;C=C1CCC(CC)(NC)C1;XSWKYSCJLOBBTH-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC4";;;;;;;3.53;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337969;MM337969;C=CC(C=O)=CC(O)CC;NZWGZMUWOBMRTH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337970;MM337970;C=C1CCC(CN)(NC)C1;IXJBWWBIQFKGDK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337971;MM337971;C=CC(C#N)=CC(O)CC;HSCGZBMQWMUAES-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337972;MM337972;CCC1(NC)CCC(=O)C1;OFHRUYIHNDMYSZ-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNa";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337973;MM337973;C=CC(C#N)=CC(O)CF;QPFLXJRDSZUXKR-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337974;MM337974;O=CC(C=O)=CC(O)CO;UGUSLQRDCCPELE-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337975;MM337975;CNC1(CO)CCC(=O)C1;BZLZULHDMGVPEX-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337976;MM337976;N#CC(C=O)=CC(O)CO;KESMBTLXNXXVRY-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337977;MM337977;C=C1CCC(CN)(OC)C1;LQHCSOGGKSEQFC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337978;MM337978;N#CC(C#N)=CC(O)CO;YMGKWXLNZHBVNV-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337979;MM337979;C=C1CCC(CO)(OC)C1;MOSSTPBECKDQJO-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337980;MM337980;N#CC(C=O)=CC(O)CF;BKXUSLVZZJMLTN-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337981;MM337981;CCC1(OC)CCC(=O)C1;XALKIUFKRJAIKL-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337982;MM337982;C=CC(C=C)=CC(F)CC;IKTKBDHFSYAWJQ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337983;MM337983;CCC1(CC)CNC(=N)C1;NNXJPWPMHFQAKF-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337984;MM337984;C=CC(C=C)=CC(F)CN;CCSSQVAZEIKOSH-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337985;MM337985;CCC1(CN)CNC(=N)C1;WIRZCJYGRVJCGU-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337986;MM337986;C=CC(C=C)=CC(F)CO;KADVBUTXJIRMOW-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337987;MM337987;CCC1(CF)CNC(=N)C1;LTJGCHOOQXWEPW-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337988;MM337988;C=CC(C=C)=CC(F)CF;KYLUOPCMJJQMEL-UHFFFAOYSA-N;144.16;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337989;MM337989;N=C1CC(CN)(CN)CN1;CNKINLNBRUQYKP-UHFFFAOYSA-N;142.21;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337990;MM337990;C=CC(C=O)=CC(F)CC;RFEVQRLVQIPGHS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337991;MM337991;CCC1(CC)CNC(=O)C1;ILEMADCQUAAWKD-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337992;MM337992;C=CC(C#N)=CC(F)CC;MIBVVTZKMWCUDZ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337993;MM337993;CCC1(CN)CNC(=O)C1;JOYBEDGMSDYTNX-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337994;MM337994;C=CC(C#N)=CC(F)CO;MNABKJQPKZWRGB-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337995;MM337995;CCC1(CF)CNC(=O)C1;BOVVXPMWWMXGCD-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337996;MM337996;C=CC(C=O)=CC(F)CF;QJCDBBNSKQIKKP-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337997;MM337997;CCC1(NC)CNC(=N)C1;WOTSYOLXDOAYGW-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337998;MM337998;C=CC(C#N)=CC(F)CF;KLZPTTHSNWVURP-UHFFFAOYSA-N;143.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM337999;MM337999;CNC1(CN)CNC(=N)C1;CADZJSFSPOQLBR-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338000;MM338000;N#CC(C=O)=CC(F)CO;WYFAQBARJNIWJU-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338001;MM338001;CNC1(CO)CNC(=N)C1;VITOMHMFEGYLQM-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338002;MM338002;C=CC(C=C)=CC(C)NC;OKULZJQQGOCPMJ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338003;MM338003;CCC1(NC)CNC(=O)C1;MFWSTWRALXSLBI-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338004;MM338004;C=CC(C=C)=CC(C)OC;FAXMJTULXDFAGB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338005;MM338005;CCC1(OC)CNC(=N)C1;KYBMLZIOSMUBAB-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338006;MM338006;C=CC(C=O)=CC(C)OC;HFLYCACOJBZQTC-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338007;MM338007;COC1(CN)CNC(=N)C1;RPDYQAGJGZEXQH-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338008;MM338008;C=CC(C#N)=CC(C)OC;COODTHQRXBFJRO-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338009;MM338009;CCC1(OC)CNC(=O)C1;LQLIQCDCPXISPL-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338010;MM338010;COC(C)C=C(C#N)C=O;OLFZKDBVYIFOGZ-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338011;MM338011;C=C1CC(CC)(CC)CO1;GYWZCLMMRWWSCW-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338012;MM338012;C=CC(C=O)=CN(C)CC;WHLOSXVFPNJCBO-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338013;MM338013;C=C1CC(CC)(CN)CO1;JMSVDFWCCVSIAE-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338014;MM338014;C=CC(C#N)=CN(C)CC;FZKPRFYDNLDUSQ-UHFFFAOYSA-N;136.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338015;MM338015;C=C1CC(CC)(CF)CO1;ALVSVCMYUWYZHC-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338016;MM338016;CCN(C)C=C(C#N)C#N;FBTQODYSFMMTAS-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338017;MM338017;C=C1CC(CN)(CN)CO1;VVXFTZYFVUYPOK-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338018;MM338018;C=CC(C#N)=NN(C)CC;HAUUFQWPCBQACQ-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338019;MM338019;CCC1(CC)COC(=O)C1;HQTJKEWNLFHMHR-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338020;MM338020;CCN(C)N=C(C#N)C=O;CVZWTUJSCMFWBG-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338021;MM338021;NCC1(CO)COC(=O)C1;CTGADHQCBZTDIA-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338022;MM338022;C=CC(C=C)=CC(C)C=C;BBKLGUULDIMZAO-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338023;MM338023;C=C1CC(CC)(NC)CO1;CSSNFCNAEUVCLL-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338024;MM338024;C=CC(C=C)=CC(C)C=O;HQGBUINSNORFLM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338025;MM338025;CCC1(NC)COC(=O)C1;SRPHKEKZHIHQJH-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338026;MM338026;C=CC(C=C)=CC(C)C#N;SASOJRVORSDHPY-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338027;MM338027;C=C1CC(CC)(OC)CO1;BFSWHFDJMRXOOB-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338028;MM338028;C=CC(C=O)=CC(C)C=C;KEROXRKQOBANPX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338029;MM338029;COC1(CN)COC(=O)C1;ILBZEDDHBTVKNH-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338030;MM338030;C=CC(C#N)=CC(C)C=C;LWVCLGWVVZAODR-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338031;MM338031;C=C1CNC(CC)(CC)C1;HWNUQYJOUBKSPT-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338032;MM338032;C=CC(C=O)=CC(C)C=O;LNJNOQRBCIEHMA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338033;MM338033;C=C1CNC(CC)(CN)C1;LTVBSIQUMXISNO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338034;MM338034;C=CC(C#N)=CC(C)C=O;LBSAHLZLEXFCCK-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338035;MM338035;C=C1CNC(CC)(CO)C1;GNCABPNIJMTNCE-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338036;MM338036;C=CC(C#N)=CC(C)C#N;GYALKJQLXYPOIZ-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338037;MM338037;C=C1CNC(CN)(CN)C1;USMBJUNTNYMXBI-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338038;MM338038;C=CC(C)C=C(C#N)C#N;WPYWLSRZEJFZMC-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338039;MM338039;CCC1(CC)CC(=N)NN1;XPXKXJMVXNNUKY-UHFFFAOYSA-N;141.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338040;MM338040;CC(C=O)C=C(C=O)C=O;UMTLVLMMCRJRNN-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338041;MM338041;CCC1(CN)CC(=N)NN1;MEOQKYBGFOUVCE-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338042;MM338042;CC(C#N)C=C(C#N)C#N;GHMKUBXENUAQTJ-UHFFFAOYSA-N;131.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338043;MM338043;N=C1CC(CN)(CN)NN1;CUANPKUJEQUACX-UHFFFAOYSA-N;143.19;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338044;MM338044;C=CC(C=C)=CC(N)C=C;RZSISGPECHNPNV-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338045;MM338045;CCC1(CC)CC(=O)CO1;BKUYPZMNVCAEBS-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338046;MM338046;C=NNCCC(=C)CCO;XEGOXNLRSDDCLV-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338047;MM338047;CCC1(CC)CC(=N)NO1;YAKPXZNXNWEMQF-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338048;MM338048;C=CC(C=C)=CC(O)C#N;CSQHBBQYJSHYAX-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338049;MM338049;CCC1(CC)CCC(=N)N1;ZRNDLYNEWWICIO-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338050;MM338050;C=CC(C=O)=CC(O)C=C;LREBJURYDXQNAD-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338051;MM338051;CCC1(CN)CCC(=N)N1;MHQILDXLDQOGIU-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338052;MM338052;C=CC(C#N)=CC(O)C=C;SRZKLZFNLXACED-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338053;MM338053;N=C1CCC(CN)(CN)N1;LUKRCGYKELKDNO-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338054;MM338054;C=CC(C#N)=CC(O)C#N;AXTMFQNENUTMHJ-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338055;MM338055;CCC1(CC)CCC(=O)N1;WDRHCSRMMZFQQW-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338056;MM338056;C=CC(O)C=C(C=O)C=O;VBVSZWWBWLPRRQ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338057;MM338057;NCC1(CN)CCC(=O)N1;XFJPSNDNVABVET-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338058;MM338058;N#CC(C=O)=CC(O)C=O;NGENZFZFRIAXNC-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338059;MM338059;CCC1(CC)CNC(=N)N1;WWHHGQPNSFEYNO-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338060;MM338060;N#CC(C=O)=CC(O)C#N;BNJIEHGBHNTPEU-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338061;MM338061;CCC1(CN)CNC(=N)N1;ODNNDETUPSYCCM-UHFFFAOYSA-N;142.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338062;MM338062;C=CC(C=C)=CC(F)C=C;DJIXYBUEOFKSMH-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338063;MM338063;N=C1NCC(CN)(CN)N1;JRVRAFOEZFTMOF-UHFFFAOYSA-N;143.19;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338064;MM338064;C=CC(C=C)=CC(F)C=O;SCEZYZFCFFYNKE-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338065;MM338065;CCC1(CC)CNC(=O)N1;JMVYQNRLZIHICK-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338066;MM338066;C=CC(C=C)=CC(F)C#N;ZFJDAOVLZPIPCZ-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338067;MM338067;CCC1(CC)COC(=O)N1;SOUYHQNDZKGIQU-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338068;MM338068;C=CC(C=O)=CC(F)C=C;ISANBUKCFJPJRI-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338069;MM338069;C=C1CCC(CC)(CC)O1;XRPSHTBYIILSFS-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338070;MM338070;C=CC(C#N)=CC(F)C=C;QLNUGMCOYJFOFL-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338071;MM338071;CCC1(CC)CCC(=O)O1;CSMPDOHTCWJGFE-UHFFFAOYSA-N;142.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338072;MM338072;C=CC(C=O)=CC(F)C#N;MGGBHSWHKFDDSB-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338073;MM338073;C=C1CCC(CC)(OC)O1;CKYZRAQCAIQBHL-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338074;MM338074;C=CC(C#N)=CC(F)C=O;DAYAAVIVAUEXPQ-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338075;MM338075;CCC1(CC)CNC(=N)O1;UYSPQWLZWQHAHQ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338076;MM338076;C=CC(C#N)=CC(F)C#N;RVUGNLAYRCPAJR-UHFFFAOYSA-N;136.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338077;MM338077;CCC1(CN)CNC(=N)O1;YKTBHZNQZMZPDO-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338078;MM338078;C=CC(F)C=C(C=O)C=O;VJAOBTPTVZYWFI-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338079;MM338079;CCC1(CC)CNC(=O)O1;WKESKZXXTJESEK-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338080;MM338080;C=CC(F)C=C(C#N)C=O;XOZXLQPCXXIBMD-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338081;MM338081;CCC1(CN)CNC(=O)O1;IHOZVPIVNVZWLD-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338082;MM338082;C=CC(F)C=C(C#N)C#N;VSUIBEMKWLRMLP-UHFFFAOYSA-N;136.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338083;MM338083;CCC1(CC)COC(=O)O1;PSBYIASEOIPONS-UHFFFAOYSA-N;144.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338084;MM338084;N#CC(F)C=C(C=O)C=O;JEWONYWSNPFCRP-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338085;MM338085;CCC1(CC)OCC(=O)O1;YHEQXUOMOFREPE-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338086;MM338086;C=CC(C=C)=CN(C)C=N;UDYDQYRRIRJMAB-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338087;MM338087;CCC1(CC)ONC(=N)O1;XJQLRSCHQGXPSP-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338088;MM338088;C=CC(C=C)=CN(C)C=O;HCEYPEDQPQUUQT-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338089;MM338089;C=CC1(CC)CCC(=C)C1;GGCHAASVKBXOIR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338090;MM338090;CN(C=O)C=C(C=O)C=O;WECWKYLFCHDMPJ-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338091;MM338091;C=C1CCC(C#N)(CC)C1;DYQBUQBEYHUTJE-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338092;MM338092;C=CC(C=C)=CN(N)C=N;CPSIIZYAOHOMNN-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338093;MM338093;C=CC1(CN)CCC(=C)C1;JTUUPTNOYWYHRW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338094;MM338094;C=CC(C=C)=CN(N)C=O;SENTVUJMLXCXFW-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338095;MM338095;C=CC(CCC)CCO;TZNBWQRWOZTDLE-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338096;MM338096;C=CC(C=C)=CN(O)C=O;SPLZLPALXIAVFT-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338097;MM338097;C=C1CCC(C#N)(CO)C1;PWOUCDXUCZGUAC-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338098;MM338098;C=CC(C#N)=CN(C)N=C;AWSVWLAZDOYFCD-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338099;MM338099;C=CC1(CC)CCC(=O)C1;BLZKBLVXUJWFSZ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338100;MM338100;C=NN(C)C=C(C#N)C=O;UCZZPGBSRHLNPW-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338101;MM338101;CCC1(C=O)CCC(=O)C1;DGCZJQCXUJLLMF-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338102;MM338102;C=CC(C=C)=NN(C)C=O;KPTXJJPSSWBGGA-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338103;MM338103;CCC1(C#N)CCC(=O)C1;NQXSBFROLORHLS-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338104;MM338104;C=CC(C#N)=NN(C)C=N;GOBHTKMWKQQHOW-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338105;MM338105;C=CC1(CO)CCC(=O)C1;SWMKTWNDOOQLCB-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338106;MM338106;C=CC(C#N)=NN(C)C=O;PTNPJTANSKKPMH-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338107;MM338107;N#CC1(CO)CCC(=O)C1;YUCVJKQLCABGMA-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338108;MM338108;CN(C=N)N=C(C=O)C=O;DLESWOLUCZFYPY-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338109;MM338109;C=CC1(CF)CCC(=O)C1;IRNVDBFGWPSFDP-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338110;MM338110;CN(C=N)N=C(C#N)C=O;LWVHAEVEIYGGSE-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338111;MM338111;C=CC1(NC)CCC(=C)C1;SHQZZAHIDNDWET-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338112;MM338112;C#CC(C)C=C(C=C)C=C;NBFJYLXKJWZOTH-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338113;MM338113;C=C1CCC(C=O)(NC)C1;XVXIFMPKGDXNFD-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338114;MM338114;C#CC(C)C=C(C=C)C=O;ZOIZQCZMVXHSKH-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338115;MM338115;C=C1CCC(C#N)(NC)C1;VVBUJAZKPFQAAV-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338116;MM338116;C#CC(C)C=C(C#N)C=C;NXLMSQWEHLRHLY-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338117;MM338117;C=CC1(NC)CCC(=O)C1;PUXKPPAPPXTMNT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338118;MM338118;C#CC(C)C=C(C#N)C#N;JJAWTPXQGHFHBJ-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338119;MM338119;C=CC(CCO)CCF;IWZFBIJOZPNATO-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338120;MM338120;C#CC(N)C=C(C=C)C=C;PFAXSOYOTAKHJY-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338121;MM338121;C=C1CCC(C=O)(OC)C1;ZLUYYXMPJPURMP-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338122;MM338122;C#CC(O)C=C(C=C)C=C;MYFLXMAZJCRVLU-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338123;MM338123;C=C1CCC(C#N)(OC)C1;BKXBYGZBRPBYKF-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338124;MM338124;C#CC(O)C=C(C#N)C=C;PJPJILNSAVIIAO-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338125;MM338125;C=CC1(OC)CCC(=O)C1;FFGGGWAHBIJZGI-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338126;MM338126;C#CC(O)C=C(C=O)C=O;FVWRPWNVQZTCKI-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338127;MM338127;COC1(C#N)CCC(=O)C1;SAGITAXFOHQYFR-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338128;MM338128;C#CC(O)C=C(C#N)C=O;IRBUSYDDMXPGKA-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338129;MM338129;C=CC1(CC)CNC(=N)C1;YUDIWOCCKWQAFT-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338130;MM338130;C#CC(F)C=C(C=C)C=C;XQQGFLZLUXWNJQ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338131;MM338131;CCC1(C=O)CN=C(N)C1;ILZIFKZQQVOPPD-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338132;MM338132;C#CC(F)C=C(C=C)C=O;ONTRUBCUCMREKF-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338133;MM338133;CCC1(C#N)CNC(=N)C1;CPGVGBJGDGXHPD-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338134;MM338134;C#CC(F)C=C(C#N)C=C;FJOMRQGEMLGUKU-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338135;MM338135;C=CC1(CO)CNC(=N)C1;IHBDACDCBULTDN-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338136;MM338136;C#CC(F)C=C(C#N)C=O;FLFGNKTYVKNVLY-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338137;MM338137;NC1=NCC(C=O)(CO)C1;TXPXMOQBPJDJPO-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338138;MM338138;C#CC(F)C=C(C#N)C#N;RJSWXCKGAFYZJS-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338139;MM338139;N#CC1(CO)CNC(=N)C1;VMXDUSPHNRURKC-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338140;MM338140;C#CC(C=C)=CC(C)CC;DGDNLHABMWXSMY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338141;MM338141;C=CC1(CF)CNC(=N)C1;WDLPRAMFSOACTF-UHFFFAOYSA-N;142.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338142;MM338142;C#CC(C=C)=CC(C)CN;NTMYBLKUHSQBDJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338143;MM338143;C=CC1(CC)CNC(=O)C1;PMHWAKSEEDIKTA-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338144;MM338144;C#CC(C=C)=CC(C)CF;SJIDQSYRFTZWRJ-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338145;MM338145;CCC1(C=O)CNC(=O)C1;JTVFFHDKMKOEFD-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338146;MM338146;C#CC(C=O)=CC(C)CC;ZYXAYQMETSOZCD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338147;MM338147;CCC1(C#N)CNC(=O)C1;UNSULUAPNAVEOK-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338148;MM338148;C#CC(C#N)=CC(C)CC;KVRUXASPHJHRHB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338149;MM338149;C=CC1(CN)CNC(=O)C1;NAHYNBKQSDIJKQ-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338150;MM338150;C#CC(C#N)=CC(C)CF;BBLMACNFOUEOKI-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338151;MM338151;C=CC1(CO)CNC(=O)C1;UHXDPYZCPJFEDZ-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338152;MM338152;C#CC(C=C)=CC(N)CC;OONZYGIYLKNFNP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338153;MM338153;C=CC1(NC)CNC(=N)C1;GRAHZDBOHZYNDF-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338154;MM338154;C#CC(C=C)=CC(N)CN;SPJQUEMITDDGNI-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338155;MM338155;CNC1(C=O)CN=C(N)C1;UEJSZFKOJARVSK-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338156;MM338156;C=COCCC(=C)CCO;VBSYTPDQZWMLJJ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338157;MM338157;CNC1(C#N)CNC(=N)C1;GNWWDZYRDQIGMW-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338158;MM338158;C#CC(C=O)=CC(O)CC;HGMUMJWGEZBLLR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338159;MM338159;C=CC1(NC)CNC(=O)C1;LFCWWNKDGYTHLG-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338160;MM338160;C#CC(C#N)=CC(O)CC;PXFUNAYMEWMVEH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338161;MM338161;CCC(C=CF)CCO;CKWGGUGHLASKTQ-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338162;MM338162;C#CC(C=O)=CC(O)CO;AXGLGGIUERSPRA-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338163;MM338163;C=CC1(OC)CNC(=N)C1;GDHQRCRTMJAIHX-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338164;MM338164;C#CC(C#N)=CC(O)CO;RARBIZVJDHFHFZ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338165;MM338165;COC1(C#N)CNC(=N)C1;WAQBXRYEWCWMKU-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338166;MM338166;C#CC(C=O)=CC(O)CF;IWEJVGAXWSDOLT-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338167;MM338167;C=CC1(OC)CNC(=O)C1;PMCQTDXZEFWXMX-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338168;MM338168;C#CC(C#N)=CC(O)CF;KGONZBXBNPMIFD-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338169;MM338169;COC1(C#N)CNC(=O)C1;WRLIHSHKCUKCKN-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338170;MM338170;C#CC(C=C)=CC(F)CC;CGSKEQBDIPVPEM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338171;MM338171;C#CC(C=C)=CC(F)CN;AKUVLHAJTUDRFL-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338172;MM338172;C=CC1(CC)COC(=C)C1;BLJAPLQSEFOVMT-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338173;MM338173;C#CC(C=C)=CC(F)CF;SPONGAXNFCFTRT-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338174;MM338174;C=C1CC(C=O)(CC)CO1;OYRUMLBAQUDAIA-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338175;MM338175;C#CC(C#N)=CC(F)CC;ISAMJYIWHJDOJI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338176;MM338176;C=C1CC(C#N)(CC)CO1;ISCVCYYLVSMPTD-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338177;MM338177;C#CC(C=O)=CC(F)CO;NPBCPIRQVASBBZ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338178;MM338178;C=CC1(CO)COC(=C)C1;DIAFWIWVHBHKDZ-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338179;MM338179;C#CC(C=O)=CC(F)CF;FLFGUVWVKXGTKL-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338180;MM338180;C=C1CC(C#N)(CO)CO1;WXEYVSNDPOUEBE-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338181;MM338181;C#CC(C=C)=CC(C)OC;LMCNUQUZWYIMIG-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338182;MM338182;C=CC1(CC)COC(=O)C1;DJRXHJAOHPYBNR-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338183;MM338183;C#CC(C=O)=CC(C)OC;XTEWGIBCKVGHAU-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338184;MM338184;CCC1(C=O)COC(=O)C1;FFSBZJCCDGRXAN-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338185;MM338185;C#CC(C#N)=CC(C)OC;ZHYZXDDCYWZKJH-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338186;MM338186;CCC1(C#N)COC(=O)C1;RIPOQBGGOZKBEM-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338187;MM338187;C#CC(C=O)=CN(C)CC;WOKIUZWLCFIHKO-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338188;MM338188;C=CC1(CN)COC(=O)C1;FFORHEFSKDOLFD-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338189;MM338189;C#CC(C#N)=CN(C)CC;SJGOQNXLGIAEBN-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338190;MM338190;C=CC1(CO)COC(=O)C1;OOQZIWIPASVFJI-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338191;MM338191;C#CC(C#N)=NN(C)CC;YXXBTAIRMVCNNK-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338192;MM338192;N#CC1(CO)COC(=O)C1;IRVSMCXQHBTPAJ-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338193;MM338193;C#CC(C=C)=CC(C)C=C;RJNVAOOEPOSLGT-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338194;MM338194;C=C1CC(C#N)(NC)CO1;XDAOILOXAYQNNU-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338195;MM338195;C#CC(C=C)=CC(C)C=O;FLRXPRWAYXDOML-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338196;MM338196;C#CC(C=C)=CC(C)C#N;YLHNWVNVOAKJIH-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338197;MM338197;CNC1(C#N)COC(=O)C1;PNDGTZQINFUWPH-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338198;MM338198;C=CC1(OC)COC(=C)C1;ZRMULYURKGSLIY-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338199;MM338199;C#CC(C=O)=CC(C)C=C;WRSKJUAEHGHJTQ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338200;MM338200;C=C1CC(C#N)(OC)CO1;HWRIVBHAHLEKLV-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338201;MM338201;C#CC(C=O)=CC(C)C=O;PXRFOHGQGKSCOV-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338202;MM338202;C=CC1(OC)COC(=O)C1;LILBWYXKRHVIHN-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338203;MM338203;C#CC(C=O)=CC(C)C#N;LLTFTSPYWXHKKU-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338204;MM338204;C#CC(C#N)=CC(C)C=O;ZCKPLCRBEFSNNQ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338205;MM338205;COC1(C#N)COC(=O)C1;LJPIFHFEEDAXJR-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338206;MM338206;C#CC(C#N)=CC(C)C#N;LAPZWFBXNOGOCF-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338207;MM338207;C=CC1(CC)CC(=C)CN1;KULJSUQHADFFLD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338208;MM338208;C#CC(C=C)=CC(N)C=C;SCIRZIISPOFZGD-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338209;MM338209;C=C1CNC(C=O)(CC)C1;LUVPYWOLJVAYOJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338210;MM338210;C#CC(C=C)=CC(O)C=O;QNCXNEZXAMNSQU-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338211;MM338211;C=C1CNC(C#N)(CC)C1;RJOWXPAAQJBCDW-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338212;MM338212;C#CC(C=C)=CC(O)C#N;PPFGFUGSXHIKMP-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338213;MM338213;C=CC1(CN)CC(=C)CN1;ASSBXIIAJMUJRX-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338214;MM338214;C#CC(C=O)=CC(O)C=O;PBGWONKWZDSYQN-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338215;MM338215;C=CC(=C)CC1CC1O;ZMCKSGDIPKEPKS-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338216;MM338216;C#CC(C=O)=CC(O)C#N;LNPCMUYVEQAADG-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338217;MM338217;C=C(C=O)CC1CC1O;YLMGYPROSQZGMT-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338218;MM338218;C#CC(C=C)=CC(F)C=C;LGWAAGLDPRCZNH-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338219;MM338219;C=Cn1nc(C)c(N)n1;DYMXMJSAHAOSFY-UHFFFAOYSA-N;124.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338220;MM338220;C#CC(C=C)=CC(F)C=O;CIGVMUVEXGWDRH-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338221;MM338221;CCC=C1C=CC(O)C1;LQKQEDMLEPIGRH-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338222;MM338222;C#CC(C=C)=CC(F)C#N;PIJNTWKICCNPKI-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338223;MM338223;C=CC1(CC)CC(=N)NN1;YHMRQKXQWQJLNG-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338224;MM338224;C#CC(C=O)=CC(F)C=C;WYRLLARFOKIMPQ-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338225;MM338225;CCC1(C=O)CC(=N)NN1;OFFKJQBIWVABDI-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338226;MM338226;C#CC(C#N)=CC(F)C=C;PAVNFPZHQCNCRB-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338227;MM338227;CCC1(C#N)CC(=N)NN1;UQRVHJGZRHIKDS-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338228;MM338228;C#CC(C=O)=CC(F)C#N;WSSWIAINDYAGNF-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338229;MM338229;C#CC(C#N)=CC(F)C#N;HTFWBIYXFXKQTB-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338230;MM338230;C=CC1(CN)CC(=N)NN1;OGBORNFJIMDMKN-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338231;MM338231;C#CC(C=C)=CN(C)C=N;YQENBHJMOFQIMM-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338232;MM338232;C=CC1(CC)CC(=O)NN1;XVCBJNITSKZERV-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338233;MM338233;C#CC(C=C)=CN(C)C=O;NWUFOTCVOWWGQB-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338234;MM338234;CCC1(C#N)CC(=O)NN1;DXCOZNHUNUJDEP-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338235;MM338235;C#CC(C=O)=CN(C)C=N;QJZNSHXQOIQFRI-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338236;MM338236;C=CC1(CN)CC(=O)NN1;WHHCPNMKNGDANZ-UHFFFAOYSA-N;141.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338237;MM338237;C#CC(C#N)=CN(C)C=N;MRIONQYTCXGLDQ-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338238;MM338238;C=CC1(CO)CC(=O)NN1;KXCHYKZQCXPUJX-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338239;MM338239;C#CC(C=O)=CN(C)C=O;GVGCKLQYHJNSAK-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338240;MM338240;N#CC1(CO)CC(=O)NN1;AWKODWFXRVKWGQ-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338241;MM338241;C#CC(C=C)=CN(N)C=N;OGEHPZMTDBAJIR-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338242;MM338242;C=CC1(CC)CC(=C)CO1;XCXKTQUPVFMMOT-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338243;MM338243;C#CC(C=C)=CN(N)C=O;WYMCOAFEWGYHEN-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338244;MM338244;C=C1COC(C=O)(CC)C1;ULAXYWSIBDGOHT-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338245;MM338245;C#CC(C#N)=CN(C)N=C;IJBMOFGCHKJQOL-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338246;MM338246;C=C1COC(C#N)(CC)C1;SQPIYNQFGMLBER-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338247;MM338247;C#CC(C=O)=NN(C)C=N;PBQSJKNADBRJHP-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338248;MM338248;C=CC1(CN)CC(=C)CO1;YBLDLWPWIGKWLN-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338249;MM338249;C#CC(C=C)=CC(C)C#C;RKMLONJZEDFZCV-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338250;MM338250;C=CC1(CC)CC(=O)CO1;SZEBVWFNDRWDLC-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338251;MM338251;C#CC(C=O)=CC(C)C#C;OAJDAEARVXHZPX-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338252;MM338252;C=CC1(CO)CC(=O)CO1;LQOVIDAQUGPBHI-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338253;MM338253;C#CC(C#N)=CC(C)C#C;XZDGSADFUWHHIZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338254;MM338254;N#CC1(CO)CC(=O)CO1;ADQCWKMAKPQETE-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338255;MM338255;C#CC(C=C)=CC(N)C#C;MUUDTGFSRHRGRF-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338256;MM338256;C=CC1(OC)CC(=C)CO1;ACLKJMBIEFNVEY-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338257;MM338257;C#CC(C=C)=CC(O)C#C;YQFYLVFKNKKZOH-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338258;MM338258;C=C1COC(C#N)(OC)C1;PYAXBXKKYBSBFS-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338259;MM338259;C#CC(C#N)=CC(O)C#C;KVZLKNINOJNNSO-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338260;MM338260;C=CC1(CC)CC(=N)NO1;KDSJAQLFOKSNCC-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338261;MM338261;C#CC(C=C)=CC(F)C#C;NFTOKEAUTAIHOR-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338262;MM338262;C#CC(C=O)=CC(F)C#C;PJIYUCSMPNENCO-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338263;MM338263;CCC1(C#N)CC(=N)NO1;WDJCTJWORDIRQX-UHFFFAOYSA-N;139.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338264;MM338264;C#CC(C#N)=CC(F)C#C;FPMSLXLTSXMJLF-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338265;MM338265;C=CC1(CO)CC(=N)NO1;KWLGYRPFTQEOAZ-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338266;MM338266;C#CC(C#C)=CC(C)CC;NAEYFPVQDUGUMH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338267;MM338267;C#CCNN=C(N)C(=O)O;SIVVYKOUUGMLAO-UHFFFAOYSA-N;141.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338268;MM338268;C=NOCCC(=C)CCO;YZJZCZZIVZIWCK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338269;MM338269;C=CC1(CC)CCC(=N)N1;BMMMEXWUSXISIM-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338270;MM338270;C#CC(C#C)=CC(C)CF;RVOIVSJBOACYOO-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338271;MM338271;CCC1(C#N)CCC(=N)N1;QMIHCPKMBCYMGG-UHFFFAOYSA-N;137.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338272;MM338272;C#CC(C#C)=CC(N)CC;LEWHYTWCHRKNIU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338273;MM338273;C=CC1(CN)CCC(=N)N1;LPKNBIQLELEUTM-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338274;MM338274;C#CC(C#C)=CC(N)CF;QVRBJRMLEFSQAD-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338275;MM338275;N#CC1(CO)CCC(=N)N1;MZSYMDYXASGNGG-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338276;MM338276;C#CCCCC(=C)CCO;FLYAQWWDXBZGML-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338277;MM338277;C=CC1(CC)CCC(=O)N1;SHYGYZSBNFHJSV-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338278;MM338278;C#CC(C#C)=CC(O)CF;CTGRBEUBYPALRG-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338279;MM338279;CCC1(C=O)CCC(=O)N1;RTUXLVZMZOBBRP-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338280;MM338280;C#CC(C#C)=CC(F)CC;DXAMBKIAAPIREU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338281;MM338281;CCC1(C#N)CCC(=O)N1;LSUAVRPPXMXLNH-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338282;MM338282;C#CC(C#C)=CC(F)CN;CDLBKCVRTSGHPS-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338283;MM338283;C=CC1(CN)CCC(=O)N1;OKEJDGAKOPFCNB-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338284;MM338284;C#CC(C#C)=CC(F)CO;SSZWCLNKDRNRHU-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338285;MM338285;C=CC1(CO)CCC(=O)N1;BVLQKIYZLLHYIA-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338286;MM338286;C#CC(C#C)=CC(F)CF;NPHLHDYUTXNAAO-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338287;MM338287;N#CC1(CO)CCC(=O)N1;KPZFFGVPOYJILX-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338288;MM338288;C#CC(C#C)=CC(C)NC;HFDHISYWHJUFFQ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338289;MM338289;C=CC1(CC)CNC(=N)N1;JAJWWYYTKFXNAG-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338290;MM338290;C#CC(C#C)=CC(C)OC;NJXYVZHIVYURGH-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338291;MM338291;CCC1(C=O)CNC(=N)N1;GITHNABDYWXKLO-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338292;MM338292;C#CC(C#C)=CC(C)C=C;VTWYSFFXPDVAFD-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338293;MM338293;CCC1(C#N)CNC(=N)N1;LAYCCGMKQQNOFX-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338294;MM338294;C#CC(C#C)=CC(C)C=O;WZPASFXNVONJNU-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338295;MM338295;C=CC1(CN)CNC(=N)N1;ROQBZMAFWOBXHH-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338296;MM338296;C#CC(C#C)=CC(C)C#N;ZZHQAFPOIFVHPT-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338297;MM338297;C=CC1(CO)CNC(=N)N1;ZCWXYTSUKDRJAD-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338298;MM338298;C#CC(C#C)=CC(N)C=C;ANPFFJUBGNNJAS-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338299;MM338299;C=CC1(CC)CNC(=O)N1;HWSHXWCXBXTXAU-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338300;MM338300;C#CC(C#C)=CC(O)C=C;DKTVITZLZJPPEA-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338301;MM338301;CCC1(C=O)CNC(=O)N1;LMBCSJOTTXBPQZ-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338302;MM338302;C#CC(C#C)=CC(F)C=C;BEQXGAWUEQQMPM-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338303;MM338303;CCC1(C#N)CNC(=O)N1;UYCJMKIOOZXFQX-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338304;MM338304;C#CC(C#C)=CC(F)C#N;AQTRXRFOLHNLGT-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338305;MM338305;C=CC1(CN)CNC(=O)N1;FEQYXXGALRFANF-UHFFFAOYSA-N;141.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338306;MM338306;C#CC(C#C)=CC(C)C#C;ZMEUDUUWIWLJEN-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338307;MM338307;C=CC1(CO)CNC(=O)N1;CJQOKAMNSXRTDQ-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338308;MM338308;N#CC1(CO)CNC(=O)N1;DWXXADCOPLYMSB-UHFFFAOYSA-N;141.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338309;MM338309;C#CC(C#C)=CC(N)C#C;LUQXBNYTMSZMSQ-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338310;MM338310;CC1C(C#N)CC1CO;PGKJXDAOCKKHKL-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338311;MM338311;C#CC(C#C)=CC(O)C#C;PSPQEDAJBKQEOM-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338312;MM338312;C#CC(C=O)CNN=C;WXKGZPHRMMQEKK-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338313;MM338313;C#CC(C#C)=CC(F)C#C;PLHNXESYXBANPH-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338314;MM338314;C=CC1(CC)COC(=O)N1;UVCFYHMTDBEWEG-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338315;MM338315;C=C(C=C(CC)CC)CC;LOHBEESHBPZMRV-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338316;MM338316;CCC1(C=O)COC(=O)N1;ZPASLDHRNWPOGP-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338317;MM338317;C=C(C=C(CC)CC)CN;AQJGLSVHIQORNI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338318;MM338318;CCC1(C#N)COC(=O)N1;OJBHIGTUKRXBOD-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338319;MM338319;C=C(C=C(CC)CC)CO;ROZSSDUXORUUEX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338320;MM338320;C=CC1(CN)COC(=O)N1;JUUNBIUKEIFVPT-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338321;MM338321;C=C(C=C(CC)CC)CF;CJPPKSFILXTBDI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338322;MM338322;C=CC1(CO)COC(=O)N1;OLNQFHQASLHOLQ-UHFFFAOYSA-N;143.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338323;MM338323;C=C(C=C(CC)CN)CC;KZXOSTNQWISCKE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338324;MM338324;N#CC1(CO)COC(=O)N1;FBEVMSQBNOYMLT-UHFFFAOYSA-N;142.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338325;MM338325;C=C(C=C(CC)CN)CO;LUHADBCIHAOZJD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338326;MM338326;C=CC1(CC)CCC(=C)O1;SIDWCKLSOBCOJD-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338327;MM338327;C=C(C=C(CC)CF)CC;XWHJSNUTVKCMLO-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338328;MM338328;C=C1CCC(C=O)(CC)O1;JIKVLIFOSNAMSS-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338329;MM338329;C=C(C=C(CN)CN)CN;JFIVXCMCBRZQRW-UHFFFAOYSA-N;141.22;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338330;MM338330;C=C1CCC(C#N)(CC)O1;AODJTZOQABOVPI-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338331;MM338331;C=C(C=C(CN)CN)CO;GJAFECABLGHKMM-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338332;MM338332;C=CC1(CN)CCC(=C)O1;XQEFYVINPIODAX-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338333;MM338333;C=C(C=C(CN)CO)CN;JVUSCLHNCXAMTM-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338334;MM338334;C=CC1(CC)CCC(=O)O1;GSAXNZDZLMCKAC-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338335;MM338335;C=C(C=C(CN)CF)CC;IGQJGHZQHQMBRH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338336;MM338336;CCC1(C#N)CCC(=O)O1;FKOMZJNVMRPDLR-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338337;MM338337;C=C(C=C(CN)CF)CN;HWSDXFMMMMGGRR-UHFFFAOYSA-N;144.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338338;MM338338;C=CC1(CN)CCC(=O)O1;NBNHVPMFEZAJEB-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338339;MM338339;N#CC1(CO)CCC(=O)O1;YJAJNXNBSKPPQT-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338340;MM338340;C=C(C=C(CO)CO)CN;GWMGBMFCUHKUAZ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338341;MM338341;C=C1CCC(C#N)(OC)O1;CKUPBGZUVCKMCN-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338342;MM338342;CCC(=O)C=C(CC)CC;XVKRTNZGYNJYQX-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338343;MM338343;C=CC1(OC)CCC(=O)O1;OMYLJFXKKZLZDO-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338344;MM338344;CCC(=CC(=O)CO)CC;MOPOPRBKTAQWQX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338345;MM338345;COC1(C#N)CCC(=O)O1;PSIHRTURDPOBEX-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338346;MM338346;CCC(=CC(=O)CF)CC;SNKYHFRAHQVWLO-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338347;MM338347;C=CC1(CN)CNC(=N)O1;FFEWYYDBYFHPAO-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338348;MM338348;CCC(=CC(=O)CO)CO;SEGNFGHYMXCBIM-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338349;MM338349;C=CC1(CC)CNC(=O)O1;UZTVZLFSZRFNLK-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338350;MM338350;CCC(=CC(=O)CF)CO;DGFMJDGRTAJXGK-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338351;MM338351;CCC1(C=O)CNC(=O)O1;ZUYOBZUXTQVFNQ-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338352;MM338352;CCC(=O)C=C(CC)CF;NHCUUPVPXQUZQO-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338353;MM338353;CCC1(C#N)CNC(=O)O1;NCAWUWMHLDPWRR-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338354;MM338354;O=C(C=C(CF)CF)CF;BUAGLUKBHMKFBD-UHFFFAOYSA-N;152.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338355;MM338355;C=CC1(CN)CNC(=O)O1;JGCOVRZBRCLBHA-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338356;MM338356;CCC(=CC(=N)NN)CC;ZJTVEGJAIFSFAE-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338357;MM338357;N#CC1(CO)CNC(=O)O1;XHGQOMHPBCQZPM-UHFFFAOYSA-N;142.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338358;MM338358;CCC(=CC(=N)NO)CC;TXNDFEURPOUUDQ-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338359;MM338359;COC1(C#N)CNC(=O)O1;MCXXKRCNRFWGIU-UHFFFAOYSA-N;142.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338360;MM338360;CCC(=CC(=N)NO)CN;HPIFDRCMICLDLG-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338361;MM338361;C=CC1(CC)COC(=O)O1;OEGIECZCFVBATD-UHFFFAOYSA-N;142.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338362;MM338362;CCC(=CC(=N)NN)CO;WMPKHTWNFZEDEZ-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338363;MM338363;CCC1(C#N)COC(=O)O1;BVUUVASLYDSIIR-UHFFFAOYSA-N;141.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338364;MM338364;CCC(=CC(=N)NO)CO;ZFBRWLVVVZOTGA-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338365;MM338365;C=CC1(CN)COC(=O)O1;QFJULSCMTXTEOR-UHFFFAOYSA-N;143.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338366;MM338366;CCC(=CC(=N)NO)CF;ICNITRZYGXAXAP-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338367;MM338367;COC1(C#N)COC(=O)O1;VSYMYJKMUKMWRN-UHFFFAOYSA-N;143.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338368;MM338368;N=C(C=C(CN)CN)NO;SXGNNJTYISZOLJ-UHFFFAOYSA-N;144.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338369;MM338369;C=C1COC(C#N)(CC)O1;ONEYOCHEMDDNMP-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338370;MM338370;C=CC1(CN)OCC(=C)O1;VSFZWVQCKINEAE-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338371;MM338371;CNC(=N)C=C(CN)CF;UDFRWWUYPKTTFA-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338372;MM338372;C=CC1(CN)OCC(=O)O1;ZDQZGRABRJGRQP-UHFFFAOYSA-N;143.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338373;MM338373;CNC(=N)C=C(CO)CO;FOCRDISLQMAWHS-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338374;MM338374;CCCCC1CC1CO;OFQJPAZENYSGMD-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338375;MM338375;N=C(C=C(CO)CO)NN;WQEQUNWLWMWVCV-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338376;MM338376;C#CC1(CC)CCC(=C)C1;KUUSHTNYIOBAEP-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338377;MM338377;N=C(C=C(CO)CO)NO;LEKYZFDJMYZGQN-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338378;MM338378;C#CC1(CN)CCC(=C)C1;YGUDQDCTDIRYRJ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338379;MM338379;N=C(C=C(CO)CF)NO;MYROIFCHNPKGJG-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338380;MM338380;C=CCCC1CC1CO;WYYYYSXACSPGDZ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338381;MM338381;N=C(C=C(CF)CF)NN;IQHXVBXNHGEOIK-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338382;MM338382;C#CC1(CC)CCC(=O)C1;AGMLKLLONBMPND-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338383;MM338383;N=C(C=C(CF)CF)NO;RROXCOOKKLMLGK-UHFFFAOYSA-N;150.13;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338384;MM338384;C#CC1(CO)CCC(=O)C1;AZDDASSBGRINFN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338385;MM338385;C=C(CCO)CCC=CC;OPJHYOJOQMUQET-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338386;MM338386;C#CC1(NC)CCC(=C)C1;RJDQGPVZVQHUJC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338387;MM338387;C=CCC=CC(O)C=CC;OHIUHFQYVAMQKM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338388;MM338388;C#CC1(NC)CCC(=O)C1;VXZJGKBVKZZSIG-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338389;MM338389;CCC(=CC(=O)NO)CC;UKERAYJFXADBAP-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338390;MM338390;C#CC1(OC)CCC(=C)C1;NYDBQPPRRCVNCP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338391;MM338391;CCC(=CC(=O)NC)CN;RBLMKKMEUPMVGB-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338392;MM338392;C#CC1(OC)CCC(=O)C1;PIXXHOIQMINMHG-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338393;MM338393;CCCCC=C(C)CCO;PJQKGOHDVPQQAA-UHFFFAOYSA-N;142.24;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338394;MM338394;C#CC1(CC)CNC(=N)C1;XOMXTSJJCVAFPG-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338395;MM338395;C=COCC=C(C)CCO;YBWHGUQLIGKEPR-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338396;MM338396;C#CC1(CN)CNC(=N)C1;NREZDYSXCXPIMD-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338397;MM338397;CC(=CCOC=O)CCO;QWMUKVUZSBZHSV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338398;MM338398;C#CC1(CC)CNC(=O)C1;NEFFIASQCOIULH-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338399;MM338399;O=C(C=C(CO)CO)NO;USVLZLVNCOQRLF-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338400;MM338400;C#CC1(CN)CNC(=O)C1;REXMLICPCXDFKX-UHFFFAOYSA-N;138.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338401;MM338401;C=C(CCO)CC1CC1O;QPSTZXODRNDRIN-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338402;MM338402;C#CC1(NC)CNC(=N)C1;UPWQUODDJAYRCK-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338403;MM338403;O=C(C=C(CO)CF)NO;DIMRUDAXZHOAMF-UHFFFAOYSA-N;149.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338404;MM338404;C#CC1(OC)CNC(=N)C1;ULODLARIJNWELT-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338405;MM338405;C=C(C=C(CC)CC)OC;BODNHDGWWMNVGF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338406;MM338406;C#CC1(OC)CNC(=O)C1;WSDANGCOAKKAMO-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338407;MM338407;C=C(C=C(CC)CN)OC;OANZZTBZCXBTRX-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338408;MM338408;C#CC1(CC)COC(=C)C1;AGDOCRKDEGJHHL-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338409;MM338409;C=C(C=C(CC)CF)OC;IUESEGHIDOAFRP-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338410;MM338410;C#CC1(CN)COC(=C)C1;OVUFLPZKCXYOAF-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338411;MM338411;C=C(C=C(CN)CO)OC;RQRKXBOFDOVEPO-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338412;MM338412;C#CC1(CC)COC(=O)C1;VGUDYAZGGSJDLC-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338413;MM338413;C=C(C=C(CO)CF)OC;FJLOSIRRIRVWIW-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338414;MM338414;C#CC1(CN)COC(=O)C1;GASYZUVHFZEVLV-UHFFFAOYSA-N;139.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338415;MM338415;CCC(=CC(=O)OC)CO;QLZJZRFTVZMRIV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338416;MM338416;C#CC1(CO)COC(=O)C1;XNYCAJHNNSWUAM-UHFFFAOYSA-N;140.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338417;MM338417;CCC(=O)C=C(CC)NC;OBLQQEVGHFHGMC-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338418;MM338418;C#CC1(NC)COC(=C)C1;UEIDPZSWFBBGBG-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338419;MM338419;CCC(=O)C=C(CO)NC;VBFPALQENBHWOW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338420;MM338420;C#CC1(OC)COC(=C)C1;MSCSKTZHFZBEME-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338421;MM338421;CNC(=CC(=O)CO)CO;UZWWLZNQYKYXPK-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338422;MM338422;C#CC1(OC)COC(=O)C1;GDSIPRSOPGHFLR-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338423;MM338423;CCC(=O)C=C(CF)NC;BGTIMNSBPKIMTM-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338424;MM338424;C#CC1(CC)CC(=C)CN1;DQHLGWLVHLBJTP-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338425;MM338425;CNC(=CC(=N)NN)CO;RCXLERVZWVMTSJ-UHFFFAOYSA-N;144.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338426;MM338426;C#CC1(CN)CC(=C)CN1;PODAOCHUJOYDHR-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338427;MM338427;CNC(=CC(=N)NO)CO;DWQDJTGQOQNRPQ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338428;MM338428;C=C(CCO)CC1OC1C;ISSIXFLTOGGRCW-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338429;MM338429;O=CCCC1CC1CO;QWLPNEOJBSNAIU-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338430;MM338430;CCC(=CC(=O)NO)NC;GKZFCNAICNGHPI-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338431;MM338431;C#CC1(CC)CC(=N)NN1;TWDCVJAPKWAILJ-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338432;MM338432;CCC(=CC(=O)OC)NC;XACKISIPZDHUNB-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338433;MM338433;C#CC1(CN)CC(=N)NN1;PSGWWQLFTJQSDA-UHFFFAOYSA-N;138.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338434;MM338434;CNC(=CC(=O)OC)CN;ZKUIKGSRNYGEEJ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338435;MM338435;C#CC1(CC)CC(=O)NN1;CBMBAEUTONZLSQ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338436;MM338436;CNC(=CC(=O)OC)CO;FOJQZHJFXYXCMR-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338437;MM338437;C#CC1(CN)CC(=O)NN1;VIAQPCDAHHXMSR-UHFFFAOYSA-N;139.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338438;MM338438;C=C(C=C(CC)OC)CC;UGGFTPPGMNDARP-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338439;MM338439;C#CC1(CO)CC(=O)NN1;OBLNSQOVJKEDJI-UHFFFAOYSA-N;140.14;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338440;MM338440;C=C(C=C(CC)OC)CN;PKIVGZWKPXFKJJ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338441;MM338441;C#CC1(CC)CC(=C)CO1;ORDHSZRRPUHQBD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338442;MM338442;C=C(C=C(CC)OC)CF;QGXNPRUHXZTHEW-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338443;MM338443;C#CC1(CN)CC(=C)CO1;MCNKFKOXRPGIDT-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338444;MM338444;C=C(C=C(CN)OC)CC;VVUQQNWMYYROOJ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338445;MM338445;C#CC1(CO)CC(=C)CO1;FSHSMMCLBKZOQK-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338446;MM338446;C=C(C=C(CO)OC)CN;CHXWQZPDPVWZKY-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338447;MM338447;C#CC1(CC)CC(=O)CO1;TVFXINJEVRUSBI-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338448;MM338448;C=C(C=C(CO)OC)CF;IPCKIPSRPXMWSU-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338449;MM338449;C#CC1(CO)CC(=O)CO1;NGPFCGTYSWTYSR-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338450;MM338450;CCC(=O)C=C(CC)OC;FJAJNCFVAXCYNE-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338451;MM338451;C#CC1(OC)CC(=C)CO1;JQXCQLOCPPNYJS-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338452;MM338452;COC(=CC(=O)CO)CO;GXEZZHWDCQWRBW-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338453;MM338453;C#CC1(CO)CC(=N)NO1;BQKHUTLGYQBENH-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338454;MM338454;CCC(=CC(=N)NC)OC;CUJSNDYLXUOCGG-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338455;MM338455;Nn1c(O)c(O)oc1=O;YCNMSPRHEQAOJX-UHFFFAOYSA-N;132.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338456;MM338456;CNC(=N)C=C(CN)OC;JNKWWIQUKSEAOD-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338457;MM338457;C#CC1(CC)CCC(=N)N1;JXYFKXKBQHHOHK-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338458;MM338458;COC(=CC(=N)NN)CO;KJOMLIXTLQIPGW-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338459;MM338459;C#CC1(CN)CCC(=N)N1;PQHIAAYBXHGYHI-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338460;MM338460;COC(=CC(=N)NN)CF;LOGSDPHUBATDHK-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338461;MM338461;C#CC1(CO)CCC(=N)N1;YMCIKXYZTQAVNA-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338462;MM338462;CNC(=O)C=C(CN)OC;ZYJGNZYZZJBULU-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338463;MM338463;C#CC1(CC)CCC(=O)N1;PDIYSBLVHYDCEV-UHFFFAOYSA-N;137.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338464;MM338464;CNC(=O)C=C(CO)OC;XLKYOVUXCUKUKH-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338465;MM338465;C#CC1(CN)CCC(=O)N1;QLUVLWYQWSAUGL-UHFFFAOYSA-N;138.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338466;MM338466;C=C1CC(CCC)=CC1O;HUMSZXCJERBBBD-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338467;MM338467;C#CC1(CO)CCC(=O)N1;AJYLNTWWHBOJCY-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338468;MM338468;COC(=CC(=O)NO)CO;PQTUXWNIAYHIHB-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338469;MM338469;C#CC1(CC)CNC(=N)N1;HKQPTCQKIXKRGJ-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338470;MM338470;C=CC(=C)CC(=CC)CO;GGMLUXQMBGUTGF-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338471;MM338471;C#CC1(CN)CNC(=N)N1;DZQYMZMSGMBSKS-UHFFFAOYSA-N;138.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338472;MM338472;COC(=CC(=O)NO)CF;LMGJEGOHOXGEAW-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338473;MM338473;C#CC1(CC)CNC(=O)N1;KMWHGJXZAGPAFC-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338474;MM338474;C=C(C=C(CC)OC)OC;NEBPQGGJGVVQGP-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338475;MM338475;C#CC1(CN)CNC(=O)N1;DYZTXSAQOLQELJ-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338476;MM338476;C=C(C=C(CO)OC)OC;QBCVKVZDOFFDEY-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338477;MM338477;C#CC1(CO)CNC(=O)N1;XOJHGDFKPVBYAD-UHFFFAOYSA-N;140.14;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338478;MM338478;CCC(=CC(=O)OC)OC;IRRQVKLYAFXAKM-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338479;MM338479;CNC(=CC(=O)CO)NC;UVCUCKVBBBTFOK-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338480;MM338480;N#CCCC1CC1CO;YSWDLBYWMKHHGV-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338481;MM338481;C=C(C=O)CC(=CC)CO;YHXDTZJQHHJOOQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338482;MM338482;C#CC1(CC)COC(=O)N1;NMDDDEUXELIWOD-UHFFFAOYSA-N;139.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338483;MM338483;CNC(=CC(=O)OC)NC;AWBUWHGXDRHKBY-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338484;MM338484;C#CC1(CN)COC(=O)N1;KKKGBSNGQTXBTO-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338485;MM338485;N#CC(=CN)N=C(N)C=O;NSLVGUQEKUKIKT-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338486;MM338486;C#CC1(CO)COC(=O)N1;VRVAJMFXHKLBBS-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338487;MM338487;CNC(=CC(=O)NO)OC;IRNOWXVOYZWWCJ-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338488;MM338488;C#CC1(CC)CCC(=C)O1;QLAHQPTXPKNQRG-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338489;MM338489;CCC(=N)N=C(NC)NC;XHHCHNGNDBCXJD-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338490;MM338490;C#CC1(CN)CCC(=C)O1;GBTHOLDQRLOFRK-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338491;MM338491;CNC(=NC(=N)CO)NN;JLLFSRWPTHRZDL-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338492;MM338492;C#CC1(CO)CCC(=C)O1;MQQMAVJJSAJZSX-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338493;MM338493;CNC(=NC(=N)CF)NN;XAGJCQGDBQFFMV-UHFFFAOYSA-N;147.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338494;MM338494;C#CC1(CC)CCC(=O)O1;YNICTYPZVVWAHB-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338495;MM338495;CCC(=N)N=C(NC)NO;FTIUEEZQQQNUHY-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338496;MM338496;C#CC1(CN)CCC(=O)O1;BVICKQNGOYCILU-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338497;MM338497;CNC(=NC(=N)CN)NO;GRIJVURUJGFYOF-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338498;MM338498;C#CC1(OC)CCC(=C)O1;UDDADTGMWPNADD-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338499;MM338499;CNC(=NC(=N)CF)NO;ATYLQRGLZQXWNK-UHFFFAOYSA-N;148.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338500;MM338500;C#CC1(OC)CCC(=O)O1;PSLKVMXZAFZOCN-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338501;MM338501;CCC(=N)N=C(NN)NN;MENGXQITUFZDRV-UHFFFAOYSA-N;144.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338502;MM338502;C#CC1(CN)CNC(=N)O1;CGCGOCGUBTVHAS-UHFFFAOYSA-N;139.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338503;MM338503;CCC(=O)N=C(NC)NC;WKVGOOHBTJVQIS-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338504;MM338504;C#CC1(CC)CNC(=O)O1;BTBSHZNQDPJIBG-UHFFFAOYSA-N;139.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338505;MM338505;CNC(=NC(=O)CN)NC;WOQRQFKHZZIDJD-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338506;MM338506;C#CC1(CN)CNC(=O)O1;NWOXXSXPPBDZGN-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338507;MM338507;CNC(=NC(=O)CO)NC;BAUVVQJBZVHNSC-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338508;MM338508;C#CC1(CO)CNC(=O)O1;CLGKVJDCGYKJSS-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338509;MM338509;C=CC(=C)C=C(CC)CO;HFHBKFGPYIVPPV-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338510;MM338510;C#CC1(OC)CNC(=O)O1;RYIHHAILFYITCU-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338511;MM338511;CCC(=O)N=C(NO)NO;GTQLBIVJPMQQTK-UHFFFAOYSA-N;147.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338512;MM338512;C#CC1(CC)COC(=O)O1;XGYFMOZHRCOYSJ-UHFFFAOYSA-N;140.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338513;MM338513;O=C(CO)N=C(NO)NO;DPDPNCHNKKBCKM-UHFFFAOYSA-N;149.11;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338514;MM338514;C#CC1(CN)COC(=O)O1;HBKYWUWXLWWHKP-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338515;MM338515;CNC(=N)N=C(NC)NC;QGRRACUVBWMVOX-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338516;MM338516;C#CC1(CO)COC(=O)O1;BAYAYJRLKNXNDL-UHFFFAOYSA-N;142.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338517;MM338517;CNC(=NC(=N)NO)NC;TWMWGDZBWYXUBT-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338518;MM338518;C#CC1(OC)COC(=O)O1;ZQKKUOHKGSIMCM-UHFFFAOYSA-N;142.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338519;MM338519;CNC(=N)N=C(NC)NN;BBGBEZAHMYTHLW-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338520;MM338520;C#CC1(CC)OCC(=C)O1;GBHKBJGLJPLPHY-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338521;MM338521;CNC(=N)N=C(NC)NO;RHEKCLCTMKNNBC-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338522;MM338522;C#CC1(CC)OCC(=O)O1;SAACEFSHBJDTDO-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338523;MM338523;CNC(=NC(=O)NN)NN;USBCLDGKKOZATD-UHFFFAOYSA-N;146.15;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338524;MM338524;C=CC1(C=C)CCC(=C)C1;MXDZJJPRQGWVEY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338525;MM338525;CNC(=NC(=N)OC)NC;XSQWIFFJYDAESZ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338526;MM338526;C=CC1(C=O)CCC(=C)C1;IYPQFQSDBHSBIP-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338527;MM338527;C=CC(=C)C(C)C(=C)CO;OBRMQCQZUOUKKT-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338528;MM338528;C=CC1(C#N)CCC(=C)C1;ZUTZWQPSKSLCKC-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338529;MM338529;C=C(C=O)C(C)C(=C)CO;XTTHGNCPUCJANT-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338530;MM338530;C=C1CCC(C=O)(C=O)C1;ONPCILKOOJKMAK-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338531;MM338531;C=C(C=O)C(C)=C(C)CO;LCIBDXGAQYJABO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338532;MM338532;C=C1CCC(C#N)(C=O)C1;BODFQMIGHNTDJL-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338533;MM338533;CC#CC#CCC(C)CO;YFQDIIAEKDSACJ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338534;MM338534;C=C1CCC(C#N)(C#N)C1;PXFRVXDNYLLMDK-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338535;MM338535;CNC(=NC(=O)CO)OC;KMKLMYKQVPWLNB-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338536;MM338536;C=CC1(C=C)CCC(=O)C1;HZCZUWDIWZZNPF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338537;MM338537;CC#CC#CCC(O)CC;BBBIPJDLNBRNGI-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338538;MM338538;C=CC1(C=O)CCC(=O)C1;QJRYHIASTFAJEV-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338539;MM338539;C=CCC(C=C)C(=C)CO;TVIQVOPTLJVJIE-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338540;MM338540;C=CC1(C#N)CCC(=O)C1;CPWFZPPHSTVODE-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338541;MM338541;C=CC(CC=O)C(=C)CO;CFSSGEYYXAGNEW-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338542;MM338542;O=CC1(C=O)CCC(=O)C1;DLWCQTNIUHWRHU-UHFFFAOYSA-N;140.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338543;MM338543;CCC(=O)N=C(NO)OC;YYMWYULZTBUPBK-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338544;MM338544;COC(=NC(=O)CO)NO;MOBTVHPPNVEXTM-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338545;MM338545;N#CC1(C=O)CCC(=O)C1;UFRPZLBBNZBTAS-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338546;MM338546;CNC(=N)N=C(NC)OC;LSJJFZGHKLDJQA-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338547;MM338547;N#CC1(C#N)CCC(=O)C1;USRTYKQJQIRPAC-UHFFFAOYSA-N;134.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338548;MM338548;C#CC1=CC(O)C(=C)C1C;YRRUJTJKHUJYLC-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338549;MM338549;C=CC1(C=C)CNC(=N)C1;GZPOBLQHMHSFJT-UHFFFAOYSA-N;136.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338550;MM338550;C=NN(C)C(=O)C1NC1C;UCYRAUMJADMZPU-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338551;MM338551;C=CC1(C=O)CNC(=N)C1;BRYLYCDTCHOZFF-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338552;MM338552;C#CC(C=O)N(C=N)C=O;DZCAVLDBSGBZJO-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338553;MM338553;C=CC1(C#N)CNC(=N)C1;XMXMEDYQSBOANA-UHFFFAOYSA-N;135.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338554;MM338554;C=CC(=C)C=C(CC)CC;IPWXAOBKUSGKFJ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338555;MM338555;N#CC1(C=O)CNC(=N)C1;GOJDDQBKAYUTJW-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338556;MM338556;C=C(C=O)C=C(CC)CC;PGZWTGGVSIRATF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338557;MM338557;N#CC1(C#N)CNC(=N)C1;GRJQTWIXIIYBGN-UHFFFAOYSA-N;134.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338558;MM338558;C=C(C#N)C=C(CC)CC;WJFANYPNEYAFEP-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338559;MM338559;C=CC1(C=C)CNC(=O)C1;QLBOIYXRTFFSKL-UHFFFAOYSA-N;137.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338560;MM338560;C=CC(=C)C=C(CC)CN;NBNKREXXZLXFSZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338561;MM338561;C=CC1(C=O)CNC(=O)C1;SIRREZZRZOESAI-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338562;MM338562;N#CC(C#CCC=O)=CN;RONIQGSRXKQCCA-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338563;MM338563;C=CC1(C#N)CNC(=O)C1;DLMUVDKMMSFANE-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338564;MM338564;C=C(C#N)C=C(CC)CO;KFPXDTBVTRMXHJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338565;MM338565;O=CC1(C=O)CNC(=O)C1;CSFYIQURHKDWNP-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338566;MM338566;C=CC(=C)C=C(CC)CF;BBHVNOZPNFBQQL-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338567;MM338567;N#CC1(C=O)CNC(=O)C1;CYIKAZJNROAMDM-UHFFFAOYSA-N;138.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338568;MM338568;C=C(C=O)C=C(CC)CF;HPCSDPBXIZXNGC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338569;MM338569;N#CC1(C#N)CNC(=O)C1;QDRXVTWQPJBXSX-UHFFFAOYSA-N;135.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338570;MM338570;C=CC(=C)C=C(CN)CO;CBBDGPVXDPZGCU-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338571;MM338571;C=CC1(C=C)COC(=C)C1;FVQWTIUKHFSEGJ-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338572;MM338572;C=CC(=O)C=C(CC)CC;NYJIEKQLQNNVCI-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338573;MM338573;C=CC1(C=O)COC(=C)C1;NWVHOSPUXKAXIM-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338574;MM338574;CCC(=CC(=O)C=O)CC;ASQVFJWWTMAMSZ-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338575;MM338575;CCC(=CC(=O)C#N)CC;XKXDYOIRRBLZDU-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338576;MM338576;C=CC1(C#N)COC(=C)C1;RRTDYBVASYXZBI-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338577;MM338577;C=CC(=O)C=C(CC)CF;OGNLHIWDLSMKBT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338578;MM338578;C=C1CC(C#N)(C=O)CO1;KNMKKGXKOGDKBF-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338579;MM338579;C=CC(=O)C=C(CO)CF;JWOVFODRNGYDDQ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338580;MM338580;C=C1CC(C#N)(C#N)CO1;FEILPQWSDNXEMJ-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338581;MM338581;C=CC(=O)C=C(CF)CF;QJPXLNCNUIVCNH-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338582;MM338582;C=CC1(C=C)COC(=O)C1;CFMODMWMEGEMPP-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338583;MM338583;C=CC(=O)C=C(CC)NC;HHMKGHOLMMWCFK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338584;MM338584;C=CC1(C=O)COC(=O)C1;LGMXSYYBIZTCJB-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338585;MM338585;CCC(=CC(=O)C#N)NC;BUECKEGQQFKSAB-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338586;MM338586;C=CC1(C#N)COC(=O)C1;QSGPEFJFKCTXOI-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338587;MM338587;CNC(=CC(=O)C=O)CO;JEWJZFJFHQVQSM-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338588;MM338588;N#CC1(C=O)COC(=O)C1;DDMDHEAJWNIZEH-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338589;MM338589;C=CC(=C)C=C(CC)OC;OGZHMCBDKIXVSH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338590;MM338590;C=CC1(C=C)CC(=C)CN1;KAKRXPGKKHPHIG-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338591;MM338591;C=C(C=O)C=C(CC)OC;UDSIMLOPUIHLDO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338592;MM338592;C=CC1(C#N)CC(=C)CN1;MSJWWYGOHIKJHY-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338593;MM338593;C=C(C#N)C=C(CC)OC;UMBGSOPHFUQDIO-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338594;MM338594;C=C1CNC(C#N)(C=O)C1;WRPWBYLXVAQGRA-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338595;MM338595;C=CC(=C)C=C(CN)OC;USIMGJAUZJUSPC-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338596;MM338596;C=C1CNC(C#N)(C#N)C1;CBEKMCTZPILUQX-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338597;MM338597;C=CC(=O)C=C(CC)OC;SGQPAGZDYFPGHO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338598;MM338598;C#CCCC1CC1CO;URMMMCQTAIVXNE-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338599;MM338599;CCC(=CC(=O)C#N)OC;SCOWLKRSWCACEV-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338600;MM338600;OCC1CC1CC1CC1;BCPOKQSDXGGJEV-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338601;MM338601;C=CC(=O)C=C(NC)NC;QJIJSNPSZQKMJS-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338602;MM338602;OCC1CC1CC1CO1;SQZASLTYUCBCLR-UHFFFAOYSA-N;128.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338603;MM338603;C=CN(NC)C(=O)CCF;ALBPXNUCKNBYIW-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338604;MM338604;C=CC1(C=C)CC(=N)NN1;GZBQCFXZUSLMJC-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338605;MM338605;C=CC(=N)N=C(NN)NN;XPRNINHRXQVWRT-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338606;MM338606;C=CC1(C#N)CC(=N)NN1;ZHIGFNXFWUTBDA-UHFFFAOYSA-N;136.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338607;MM338607;C=CC(=N)N=C(NN)NO;BBRYXAULYPSNSK-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338608;MM338608;N=C1CC(C=O)(C=O)NN1;SJQYQFUYODYCKP-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338609;MM338609;C=CC(=O)N=C(NC)NC;FAHVTZILGZVCFQ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338610;MM338610;N#CC1(C=O)CC(=N)NN1;BFADYKMVBFTWSM-UHFFFAOYSA-N;138.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338611;MM338611;CNC(=NC(=O)C=O)NC;RYAMKFXKHBLSNR-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338612;MM338612;N#CC1(C#N)CC(=N)NN1;IBCAVJXQCGUAFW-UHFFFAOYSA-N;135.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338613;MM338613;C=CC(=O)N=C(NC)NN;JHXUCYBINMSBBR-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338614;MM338614;C=CC1(C=C)CC(=O)NN1;GUQOAFXCNPLOCU-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338615;MM338615;C=CC1(CC)CC1CCO;HQVNJFBIZWTZIP-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338616;MM338616;C=CC1(C#N)CC(=O)NN1;WYPYWIDFVYJYRW-UHFFFAOYSA-N;137.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338617;MM338617;O=CC(=O)N=C(NO)NO;MVSNHPJOHQKABF-UHFFFAOYSA-N;147.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338618;MM338618;N#CC1(C#N)CC(=O)NN1;DLJXNAAIJSWBMG-UHFFFAOYSA-N;136.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338619;MM338619;C=CC1(CO)CC1CCO;LBCMKUMZZPSQSK-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338620;MM338620;C=CC1(C=C)CC(=C)CO1;YRTSGHQAKIWWEG-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338621;MM338621;C#CC1(C=O)CC1CCO;URGPNEALUXAGRQ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338622;MM338622;C=CC1(C#N)CC(=C)CO1;QEAGITPIUBOYDY-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338623;MM338623;C#CC(=CC)CC1CC1O;XJPMDKHCWRHLJK-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338624;MM338624;C=C1COC(C#N)(C#N)C1;XCVJGNQZDVJABO-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338625;MM338625;C=CC(=O)N=C(NO)OC;GQEYBGJGMKBISZ-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338626;MM338626;C=CC1(C=C)CC(=O)CO1;BAZQJSUEQIVNEY-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338627;MM338627;C#CC(=C)C=C(CC)CC;KTQIRPPTYCRQRJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338628;MM338628;C=CC1(C#N)CC(=O)CO1;GFBKLGCAINTLLB-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338629;MM338629;C#CC(=C)C=C(CC)CN;WMFPNTXPUKYNRZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338630;MM338630;N#CC1(C#N)CC(=O)CO1;MBFNWKVSLWUMKD-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338631;MM338631;CN=C1C=CC(CC=O)=N1;XJKDBSZCTRNDDR-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338632;MM338632;C=CC1(C=C)CC(=N)NO1;BNQCDKQJBSVYRI-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338633;MM338633;C#CC(=C)C=C(CN)CO;KVJKHGMBRHAVCL-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338634;MM338634;C=CC1(C#N)CC(=N)NO1;PNIOYCIZUYSNJQ-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338635;MM338635;C#CC(=O)C=C(CC)CC;KAUQMIFRGKXCQV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338636;MM338636;Nn1c(O)nn(C=O)c1=O;VGDYZSMOTOPJMH-UHFFFAOYSA-N;144.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338637;MM338637;C#CC(=O)C=C(CC)CF;VYBIRZSRKWDXJW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338638;MM338638;CC(=NN(C)C=N)C(=O)O;LDKRDEHIKWRENM-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338639;MM338639;C#CC(=O)C=C(CO)CO;AYPPKJNGWHNNOO-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338640;MM338640;C=CC1(C=C)CCC(=N)N1;QHAJUAXSYHAEIX-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338641;MM338641;C#CC(=O)C=C(CC)NC;ZVQMTWRRFZQIDQ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338642;MM338642;C=CC1(C#N)CCC(=N)N1;SXTDONYAWYDTHK-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338643;MM338643;C#CC(=C)C=C(CC)OC;VNCPFLYCNMETKO-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338644;MM338644;C=CC1(C=C)CCC(=O)N1;VMGPYPFGOZCVCV-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338645;MM338645;C#CC(=C)C=C(CN)OC;OTRRWHARXJWIFG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338646;MM338646;C=CC1(C#N)CCC(=O)N1;ZFLGFHMILKPBBS-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338647;MM338647;C#CC(=C)C=C(CO)OC;JUMRPTCCTYJAKC-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338648;MM338648;O=CC1(C=O)CCC(=O)N1;DXUIYAOYVAOGHN-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338649;MM338649;C#CC(=O)C=C(CC)OC;KRCNBIPCCWFYGD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338650;MM338650;N#CC1(C=O)CCC(=O)N1;DSXCGTCYMOPPFX-UHFFFAOYSA-N;138.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338651;MM338651;C#CC(=O)C=C(CO)OC;SMIYRZUHSIGOTF-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338652;MM338652;N#CC1(C#N)CCC(=O)N1;DHPMYXJYGKGYLJ-UHFFFAOYSA-N;135.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338653;MM338653;C=CC(=CC(=C)CC)CC;RSLMHKPDONEEFA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338654;MM338654;C=CC1(C=C)CNC(=N)N1;JVJFJMWIKWGRNH-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338655;MM338655;C=CC(=CC(=C)CN)CC;IZIYJPAECNANSW-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338656;MM338656;C=C(C#N)C(C)(C)CCO;FTNIYBWZPPWQJQ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338657;MM338657;C=CC(=CC(=C)CO)CC;VKEJBLGFXIQYAC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338658;MM338658;C=CC1(C=C)CNC(=O)N1;BRIFTFMSYMLFQQ-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338659;MM338659;C=C(C=C(C=O)CC)CC;KJMSNNDPSTVHGS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338660;MM338660;C=CC1(C=O)CNC(=O)N1;VTNCOXMINJEXCG-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338661;MM338661;C=C(C=C(C#N)CC)CC;UXHBTWBUTGKXIV-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338662;MM338662;C=CC1(C#N)CNC(=O)N1;GXDHPQMWOOETEO-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338663;MM338663;C=C(C=C(C=O)CC)CO;ZCQMKTGDBKALDJ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338664;MM338664;O=CC1(C=O)CNC(=O)N1;IPYJCIAQHYMAAS-UHFFFAOYSA-N;142.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338665;MM338665;C=C(C=C(C#N)CC)CO;XRJRUELXUXATRI-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338666;MM338666;N#CC1(C=O)CNC(=O)N1;QSDHZFQYMVXJDL-UHFFFAOYSA-N;139.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338667;MM338667;C=C(C=C(C#N)CC)CF;CBVLEAXYGDNWKD-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338668;MM338668;N#CC1(C#N)CNC(=O)N1;VQQBHSSPYVKWCF-UHFFFAOYSA-N;136.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338669;MM338669;C=CC(=CC(=C)CC)CN;DWDHFELNPCDKHU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338670;MM338670;C=CC1(C=O)COC(=N)N1;MZIHIXYWRDDHTC-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338671;MM338671;C=CC(=CC(=C)CF)CN;HDJPDHJWOHNFIV-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338672;MM338672;CC(C=O)C1N(C)C1(C)C;BDBRMLSIYOJSRO-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338673;MM338673;C#CC1=CC(=CC)CC1O;IUINCXFSZNMCBA-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338674;MM338674;C=C(CF)CC(C)CCO;OSPWRCXZXJWMKR-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338675;MM338675;C=CC(=CC(=C)CO)CO;BFZIEPUNJSGSTR-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338676;MM338676;CCC(=O)CC(C)CCO;GDDUWYOTVSTTBV-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338677;MM338677;C#Cc1[nH]c(NC)cc1C;DJIQIPBBTXZDCP-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338678;MM338678;C=CC1(C=C)COC(=O)N1;MBJGHBJJUDVNCK-UHFFFAOYSA-N;139.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338679;MM338679;C=C(C=C(C#N)CO)CC;YSUYXKHGYKFUAJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338680;MM338680;C=CC1(C#N)COC(=O)N1;HVDJPNYQFWQDKU-UHFFFAOYSA-N;138.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338681;MM338681;C=C(C=C(C#N)CO)CO;HNIUXTPEPRUYPG-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338682;MM338682;N#CC1(C=O)COC(=O)N1;UIMLFIWTCXUNGP-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338683;MM338683;C=CC(=CC(=C)CC)CF;RXDZXVRVUNONPZ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338684;MM338684;N#CC1(C#N)COC(=O)N1;VXAHNRIZVMWDNP-UHFFFAOYSA-N;137.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338685;MM338685;C=CC(=CC(=C)CN)CF;OOCGWBLWPUNGLN-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338686;MM338686;C=CC1(C=C)CCC(=C)O1;FIHPYALRBPHQII-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338687;MM338687;C=CC(=CC(=C)CF)CF;BMQQFDLCMICYMB-UHFFFAOYSA-N;144.16;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338688;MM338688;C=CC1(C=O)CCC(=C)O1;RONQBBRXQXAHMS-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338689;MM338689;C=C(C=C(C#N)CF)CC;QLMCFXFPKONHPF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338690;MM338690;C=CC1(C#N)CCC(=C)O1;CZEKKHBEBSYAOZ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338691;MM338691;C=C(C=C(C#N)CF)CF;RDCZULDSKKBLGD-UHFFFAOYSA-N;143.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338692;MM338692;C=C1CCC(C#N)(C=O)O1;WJGSKWGCEDEMKR-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338693;MM338693;C=CC(=CC(=O)CC)CC;YZELWYJIWITPJF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338694;MM338694;C=C1CCC(C#N)(C#N)O1;ZKOPNGOGHCULJT-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338695;MM338695;C=CC(=CC(=O)CF)CC;HIDOCHZVZYAKJE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338696;MM338696;C=CC1(C=C)CCC(=O)O1;UMNALZVYYASCQR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338697;MM338697;CCC(=O)C=C(C=O)CC;MRPYAAPUPZYTBK-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338698;MM338698;C=CC1(C#N)CCC(=O)O1;ULIBXUSYTYHVBP-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338699;MM338699;CCC(=O)C=C(C#N)CC;KDGYBUXTWGQRHI-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338700;MM338700;N#CC1(C=O)CCC(=O)O1;OKGTXXGXKGQSOV-UHFFFAOYSA-N;139.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338701;MM338701;CCC(C#N)=CC(=O)CF;YKXLYEAKNTWTFU-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338702;MM338702;N#CC1(C#N)CCC(=O)O1;DLFOUMJYNUAGSM-UHFFFAOYSA-N;136.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338703;MM338703;C=CC(=CC(=O)CO)CO;TXLOODJPDFUDOE-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338704;MM338704;C=CC1(C=C)CNC(=O)O1;YBCUCWXQEKNJEH-UHFFFAOYSA-N;139.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338705;MM338705;CCC(=O)C=C(C#N)CO;LKNAGHZEUXGZLQ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338706;MM338706;C=CC1(C#N)CNC(=O)O1;QPPJJPGVUFYTTM-UHFFFAOYSA-N;138.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338707;MM338707;N#CC(=CC(=O)CO)CO;ARFZSIZBSYASGI-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338708;MM338708;N#CC1(C=O)CNC(=O)O1;NZSVKEKZGPYHFI-UHFFFAOYSA-N;140.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338709;MM338709;O=CC(=CC(=O)CF)CO;ACXPFDJDCPFIRF-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338710;MM338710;N#CC1(C#N)CNC(=O)O1;HWQRKUSWJSELBN-UHFFFAOYSA-N;137.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338711;MM338711;N#CC(=CC(=O)CF)CO;KJWUDMFBLJIPHX-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338712;MM338712;C=CC1(C=C)COC(=O)O1;NTZGQRUKVCNBQN-UHFFFAOYSA-N;140.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338713;MM338713;C=CC(=CC(=O)CC)CF;RCYVQDCNBMBNGQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338714;MM338714;C=CC1(C#N)COC(=O)O1;UEESMEWGGMCDGW-UHFFFAOYSA-N;139.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338715;MM338715;C=CC(=CC(=O)CO)CF;XHNRSIBWAPIRJT-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338716;MM338716;N#CC1(C=O)COC(=O)O1;AFIIMROUHGILFL-UHFFFAOYSA-N;141.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338717;MM338717;CCC(=O)C=C(C#N)CF;RMIGDFWLJFCUOW-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338718;MM338718;N#CC1(C#N)COC(=O)O1;WVTVKMXWZVCGHJ-UHFFFAOYSA-N;138.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338719;MM338719;O=CC(=CC(=O)CO)CF;DAGACTNGDRUGDQ-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338720;MM338720;C=C1COC(C#N)(C#N)O1;MDPYSAZHLRRXOS-UHFFFAOYSA-N;136.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338721;MM338721;N#CC(=CC(=O)CO)CF;XQRMZQBCWUETIM-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338722;MM338722;C=CC1(C=C)OCC(=O)O1;PNAVDUDOGKRSRS-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338723;MM338723;C=CC(=CC(=N)NC)CC;YKGAMJNAPKTQNQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338724;MM338724;C=CC1(C#N)OCC(=O)O1;PVWKIJLIUIBUIV-UHFFFAOYSA-N;139.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338725;MM338725;C=CC(=CC(=N)NN)CC;FRJWUGBGRUHQCG-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338726;MM338726;N#CC1(C#N)OCC(=O)O1;GONCJHDYRYQFNA-UHFFFAOYSA-N;138.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338727;MM338727;C=CC(=CC(=N)NO)CC;FTLSGDMQPQYDCK-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338728;MM338728;C=CC1(C=C)ONC(=N)O1;VNZPDPKAVYFMCE-UHFFFAOYSA-N;140.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338729;MM338729;COC(=O)CC(C)CCO;GQPZIAXJWPLEEX-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338730;MM338730;C=CC(=CC(=N)NO)CN;KGAJLYZYODUYJP-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338731;MM338731;C=CC(=O)CC(C)CCO;QXUFLDYOQCEDGV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338732;MM338732;C=CC(=CC(=N)NO)CO;XOVNYHCNKOMTCO-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338733;MM338733;C#CC1(C=C)CCC(=C)C1;FRTNMFKZZUYNAS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338734;MM338734;CNC(=N)C=C(C#N)CO;WKXDOIFBRNZJPZ-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338735;MM338735;C#CC1(C=O)CCC(=C)C1;YRDGQNPPKDIKHM-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338736;MM338736;C=CC1(CC2CC2O)CC1;LHPLLFJUQOPWCQ-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338737;MM338737;C#CC1(C#N)CCC(=C)C1;YKQJKWCGSQWLRP-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338738;MM338738;C=CC(=CC(=N)NN)CF;IPCGBLNATYCYJN-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338739;MM338739;C#CC1(C=C)CCC(=O)C1;PTEAYECSEZSWBZ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338740;MM338740;C=CC(=CC(=N)NO)CF;TYOPMZNVYQQTKW-UHFFFAOYSA-N;144.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338741;MM338741;C#CC1(C#N)CCC(=O)C1;WJAALFLGKOAJKF-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338742;MM338742;O=CC1(CC2CC2O)CC1;IVUYEMGXERLJJE-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338743;MM338743;C#CC1(C=C)CNC(=N)C1;NRXMRCYDJXTMDB-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338744;MM338744;C=CC#CCCC1CC1O;AVAPCNSSCZMMSD-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338745;MM338745;C#CC1(C=O)CNC(=N)C1;CMFBTRCFUOTCAB-UHFFFAOYSA-N;136.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338746;MM338746;C=CC(=CC(=O)NO)CC;UMIXXSFVHAQYDN-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338747;MM338747;C#CC1(C#N)CNC(=N)C1;DKNUARMWSKQGLK-UHFFFAOYSA-N;133.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338748;MM338748;CCC(C=O)=CC(=O)NO;HCKCFESDQWYBBK-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338749;MM338749;C#CC1(C=C)CNC(=O)C1;SUNHGFQJFGUYRF-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338750;MM338750;C=CC(=CC(=O)NC)CN;JSOCXOVWSUEVDP-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338751;MM338751;C#CC1(C=O)CNC(=O)C1;DCXDZDOPUBHWPW-UHFFFAOYSA-N;137.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338752;MM338752;CNC(=O)C=C(C=O)CO;OOEJGFIFEZVABK-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338753;MM338753;C#CC1(C#N)CNC(=O)C1;QJOSLRKJCIYQSH-UHFFFAOYSA-N;134.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338754;MM338754;CNC(=O)C=C(C#N)CO;JMOUPNPKPNENDM-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338755;MM338755;C#CC1(C=C)COC(=C)C1;MKKONXVMEGKICQ-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338756;MM338756;O=CC(=CC(=O)NO)CO;RDDZKSKCWMESGA-UHFFFAOYSA-N;145.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338757;MM338757;C#CC1(C=O)COC(=C)C1;XEGCEAJBXZMPTP-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338758;MM338758;C=NN=CNN=COC=O;VAZCZKMDXYQNQU-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338759;MM338759;C#CC1(C#N)COC(=C)C1;FEZMUYGOAUPAEH-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338760;MM338760;C=CC(=CC(=C)OC)CC;HBDHZRRSEPVQED-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338761;MM338761;C#CC1(C=C)COC(=O)C1;IBDLJXJMQCHCQF-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338762;MM338762;C=C(C=C(C=O)CC)OC;HLZULBODOIKAMT-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338763;MM338763;C#CC1(C=O)COC(=O)C1;VKAPCYCDEAWSIQ-UHFFFAOYSA-N;138.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338764;MM338764;C=C(C=C(C#N)CC)OC;QOKOJAAUCWQNCZ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338765;MM338765;C#CC1(C#N)COC(=O)C1;RSXRFUIVGOZIFV-UHFFFAOYSA-N;135.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338766;MM338766;C=CC(=CC(=C)OC)CN;KVFSBWPHIUBEAY-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338767;MM338767;C#CC1(C=C)CC(=C)CN1;PQVLCZCGOITMER-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338768;MM338768;C=CC(=CC(=C)OC)CO;AQXWHFMOYCIGKO-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338769;MM338769;C#CC1(C#N)CC(=C)CN1;AUGQTYYTJOWZAO-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338770;MM338770;C=C(C=C(C#N)CO)OC;WSXYDKSGDCSLCW-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338771;MM338771;C#CC(=O)CC(C)CCO;OIIHKHBLPUVRDV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338772;MM338772;C=CC(=CC(=C)OC)CF;ATZAGJRYLYZDLK-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338773;MM338773;CC(=CC(C)O)C(C)C=O;KBKDUOFEGKHBFQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338774;MM338774;C=C(C=C(C#N)CF)OC;FYDMKQHMZTUWAT-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338775;MM338775;C=CC(CCO)CC(C)O;KRIRENRYWQUAHC-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338776;MM338776;COC(=O)C=C(C#N)CO;GLJDKBUIBAYXHA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338777;MM338777;C#CC1(C=C)CC(=N)NN1;NKLALZMIPQTNLY-UHFFFAOYSA-N;135.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338778;MM338778;C=CC(=CC(=O)CC)NC;NGGJROJNBNUZRM-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338779;MM338779;C#CC1(C=O)CC(=N)NN1;VBZBXBDUWFMNRT-UHFFFAOYSA-N;137.14;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338780;MM338780;C=CC(=CC(=O)CF)NC;AZRQUSVYPKLVIY-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338781;MM338781;C#CC1(C#N)CC(=N)NN1;FZQHSBLDJKFHCK-UHFFFAOYSA-N;134.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338782;MM338782;CNC(=N)C=C(C#N)NC;LUWLWBLHPPEIOS-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338783;MM338783;C#CC1(C=C)CC(=O)NN1;ZLKAFTJYQOVJNK-UHFFFAOYSA-N;136.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338784;MM338784;CNC(C=O)=CC(=N)NO;FKBFFGLWMWOALB-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338785;MM338785;C#CC1(C#N)CC(=O)NN1;DXRALVFNHXXBNK-UHFFFAOYSA-N;135.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338786;MM338786;CNC(=O)C=C(C#N)NC;YIPRUMDPUWTUPR-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338787;MM338787;C#CC1(C=C)CC(=C)CO1;CHVSFUOTXOOUCH-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338788;MM338788;CNC(C=O)=CC(=O)OC;QLHMYDUFQHJJLC-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338789;MM338789;C#CC1(C=O)CC(=C)CO1;MIEDSZGAQQRPJZ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338790;MM338790;C#CC1(C#N)CC(=C)CO1;JLEZOOCKZSOJRW-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338791;MM338791;C=CC(=CC(=C)CC)OC;WLIQXEBEAMKFBB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338792;MM338792;C#CC1(C=C)CC(=O)CO1;UINYBUUPWDBESE-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338793;MM338793;C=CC(=CC(=C)CN)OC;LVYRPEKYQMLGNG-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338794;MM338794;C#CC1(C=O)CC(=O)CO1;GDWNJPAHHAPIOE-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338795;MM338795;C=CC(=CC(=C)CF)OC;PANSWNDWWHZXTC-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338796;MM338796;C#CC1(C#N)CC(=O)CO1;NNOWXVHOUBEICP-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338797;MM338797;C=C(C=C(C#N)OC)CC;KXSJDNBHFSLBGV-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338798;MM338798;C#CC1(C=C)CC(=N)NO1;ZKFINNYKGLYQAF-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338799;MM338799;C=C(C=C(C#N)OC)CO;PSTVAXGNSMWLNX-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338800;MM338800;C#CC(C(=O)O)C(=O)NC;QOGCMFNDRWLUHK-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338801;MM338801;C=C(C=C(C#N)OC)CF;SVPSQDZVEHRPPE-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338802;MM338802;Cn1c(O)c(O)oc1=O;QJNNJUARPPXGGJ-UHFFFAOYSA-N;131.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338803;MM338803;C=CC(=CC(=O)CC)OC;QUCQMGVJYTZZAQ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338804;MM338804;C#CC1(C=C)CCC(=N)N1;YODKJJHHMVOGRD-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338805;MM338805;CCC(=O)C=C(C=O)OC;IRAWKRMDEYAPGE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338806;MM338806;C#CC1(C=O)CCC(=N)N1;WQLAHVIPYUHNEA-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338807;MM338807;CCC(=O)C=C(C#N)OC;TXQXBPJIZQIEBX-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338808;MM338808;C#CC1(C=C)CCC(=O)N1;XFFWLGJKFWHSCN-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338809;MM338809;COC(C#N)=CC(=O)CO;JFWZBRTVHKUOJP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338810;MM338810;C#CC1(C=O)CCC(=O)N1;RFRLAPRAIYDNLX-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338811;MM338811;C=CC(=CC(=N)NN)OC;YYOIIVSZUDETMD-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338812;MM338812;C#CC1(C#N)CCC(=O)N1;KRQDMRGBLXVENK-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338813;MM338813;CNC(=N)C=C(C=O)OC;BHBJYTPHJZZKDY-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338814;MM338814;C#CC1(C=C)CNC(=N)N1;KEMQZRJLHPUFQD-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338815;MM338815;C=CC(=CC(=O)NO)OC;RREHZRRSXOUWKD-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338816;MM338816;C#CC1(C=O)CNC(=N)N1;CFIGBQWAIMKHAQ-UHFFFAOYSA-N;137.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338817;MM338817;COC(C=O)=CC(=O)NO;RRGKLEYQYGGKOB-UHFFFAOYSA-N;145.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338818;MM338818;C#CC1(C=C)CNC(=O)N1;IMMXAIUSOVHMCN-UHFFFAOYSA-N;136.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338819;MM338819;C=CC(=CC(=C)OC)OC;FGIRUQSFVIKFHF-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338820;MM338820;C#CC1(C=O)CNC(=O)N1;APJICEXGQORRKK-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338821;MM338821;C=C(C=C(C=O)OC)OC;OAGDXBPNNJLERH-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338822;MM338822;C#CC1(C#N)CNC(=O)N1;HBDPQWTXMZPCDP-UHFFFAOYSA-N;135.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338823;MM338823;C=C(C=C(C#N)OC)OC;TXQVUVGBWJVSLE-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338824;MM338824;C#CC1(C=C)COC(=N)N1;MBDLSYZCBXSZRK-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338825;MM338825;C=CC(=CC(=O)OC)OC;URAYTPWRNMHVCY-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338826;MM338826;C=CC(CCO)CC(F)F;JUJUGXRIPJYSSO-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338827;MM338827;C=CC(=C)C=C(C=C)CC;YRIZGWGPUFYJQR-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338828;MM338828;C=CCC(=CC(C)O)CC;XONHXVNSVYNSAQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338829;MM338829;C=CC(=CC(=C)C=O)CC;ROXPPNNNMQQPSI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338830;MM338830;C#CC1(C=C)COC(=O)N1;IWYVGEOUDPOLCV-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338831;MM338831;C=CC(=CC(=C)C#N)CC;NPSAJROSHJKLBE-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338832;MM338832;C#CC1(C=O)COC(=O)N1;SDHLBAOXAYMNLP-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338833;MM338833;C=CC(=C)C=C(C=O)CC;UDRWHYZSEYBLQR-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338834;MM338834;C#CC1(C#N)COC(=O)N1;JNUNJMAAYZJHKQ-UHFFFAOYSA-N;136.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338835;MM338835;C=CC(=C)C=C(C#N)CC;LHOAYYYKCBUPMZ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338836;MM338836;C#CC1(C=C)CCC(=C)O1;OVXWLZDTKRGGHE-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338837;MM338837;C=C(C=O)C=C(C=O)CC;YJEMYUNBZGTLRO-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338838;MM338838;C#CC1(C=O)CCC(=C)O1;RITZLBSOXALJJM-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338839;MM338839;C=C(C=O)C=C(C#N)CC;GRGOJKAMIKCEQP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338840;MM338840;C#CC1(C#N)CCC(=C)O1;JOTBNUNZZPNOBW-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338841;MM338841;C=C(C#N)C=C(C=O)CC;KHWLFXNQJFRJPZ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338842;MM338842;C#CC1(C=C)CCC(=O)O1;FYKNWQBLCIUTFM-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338843;MM338843;C=C(C#N)C=C(C#N)CC;YXBALGXDJBIGCI-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338844;MM338844;C#CC1(C=O)CCC(=O)O1;PCEIBIOAIHZKLE-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338845;MM338845;C=CC(=C)C=C(C=C)CN;AXIYEXUTYPGIGZ-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338846;MM338846;C#CC1(C#N)CCC(=O)O1;QYJDZCITGRVQDW-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338847;MM338847;C=CC#CC1C(O)C1CC;OKKLZNRMBVQMJR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338848;MM338848;C#CC1(C=C)CNC(=O)O1;XEGVOAZWPBOVSE-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338849;MM338849;C=CC(O)C=C(C)C;YLDQGFKWYVWOJJ-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338850;MM338850;C#CC1(C=O)CNC(=O)O1;QHHFSGQOASRTEE-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338851;MM338851;C=CC(=CC(=C)C#N)CO;MGVIIEUMXXPMKD-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338852;MM338852;C#CC1(C#N)CNC(=O)O1;UHPFAXHNPDEYDC-UHFFFAOYSA-N;136.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338853;MM338853;C=CC(=C)C=C(C#N)CO;DCXDJOBJTWWMGH-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338854;MM338854;C#CC1(C=C)COC(=O)O1;MMTKRFVBZWHEGX-UHFFFAOYSA-N;138.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338855;MM338855;C=C(C=O)C=C(C#N)CO;DAHVLMRGIYSGEF-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338856;MM338856;C=C(C#N)C=C(C#N)CO;ATVGLRRDNMUXMT-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338857;MM338857;C#CC1(C=O)COC(=O)O1;VEFRDWKYTHDDGA-UHFFFAOYSA-N;140.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338858;MM338858;C=CC(=C)C=C(C=C)CF;VMDVZKMYNSRABS-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338859;MM338859;C#CC1(C#N)COC(=O)O1;QOKDXZUPGDJUOJ-UHFFFAOYSA-N;137.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338860;MM338860;C=CC(=CC(=C)C#N)CF;SGUBAWJRNXQSNC-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338861;MM338861;C#CC1(C=C)OCC(=C)O1;NEIUZRNSXBASHJ-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338862;MM338862;C=CC(=C)C=C(C#N)CF;GRLPUEWQJRGIQW-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338863;MM338863;C#CC1(C#N)OCC(=C)O1;FOXCGXXPOJDQDB-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338864;MM338864;C=C(C=O)C=C(C=O)CF;FNTHVCOYTQTEQY-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338865;MM338865;C#CC1(C=C)OCC(=O)O1;LBWUORIYPARLBA-UHFFFAOYSA-N;138.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338866;MM338866;C=C(C=O)C=C(C#N)CF;AKZBVIYTUQFJSV-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338867;MM338867;C#CC1(C#N)OCC(=O)O1;PMBSHQQAUPWIII-UHFFFAOYSA-N;137.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338868;MM338868;C=C(C#N)C=C(C=O)CF;SFUSCPSBKRXFCD-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338869;MM338869;CCC(=CC(C)O)CC=O;WAQGQQLCQZFWKW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338870;MM338870;C=C(C#N)C=C(C#N)CF;AXHZILMQUFQUBQ-UHFFFAOYSA-N;136.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338871;MM338871;C=NNC(C)=NN=COC;YBUSCYHPAMCDAE-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338872;MM338872;C#CC1(C#C)CCC(=C)C1;VPLAIBBCRNIFBQ-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338873;MM338873;C=CC(=O)C=C(C=C)CC;FQJWQVHHFLJGSJ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338874;MM338874;C#CC1(C#C)CCC(=O)C1;XMKFZARMSSYIIV-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338875;MM338875;C=CC(=CC(=O)C#N)CC;JILOPHCYTCKDDK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338876;MM338876;C#CC1(C#C)CNC(=N)C1;NFGQQZWGRLKLLC-UHFFFAOYSA-N;132.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338877;MM338877;C=CC(=O)C=C(C=O)CC;XEDFEFHFGSOUIM-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338878;MM338878;C#CC1(C#C)CNC(=O)C1;GZGNXELNLJOTLO-UHFFFAOYSA-N;133.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338879;MM338879;C=CC(=O)C=C(C#N)CC;TWXRXALXIJMDHJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338880;MM338880;C#CC1(C#C)COC(=C)C1;IYROPNBBGWJOKZ-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338881;MM338881;CCC(C=O)=CC(=O)C=O;GBXHFBXCJQTOGS-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338882;MM338882;C#CC1(C#C)COC(=O)C1;PNQBLDOSFPFBQY-UHFFFAOYSA-N;134.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338883;MM338883;CCC(C#N)=CC(=O)C=O;IXRGKUPERCLRHP-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338884;MM338884;C=C(CC#N)C(C)CCO;DECLNJPAJSWJBG-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338885;MM338885;CCC(C#N)=CC(=O)C#N;RNYNCZRBADVRAO-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338886;MM338886;C#CC1(C#C)CC(=N)NN1;KCHFNRNUYPSVRA-UHFFFAOYSA-N;133.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338887;MM338887;C=CC(=O)C=C(C=C)CO;ZGEFQZBPPZJQBL-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338888;MM338888;C#CC1(C#C)CC(=O)NN1;DEVNJSKGQNWYBH-UHFFFAOYSA-N;134.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338889;MM338889;C=CC(=O)C=C(C=O)CO;CFQIVDNMBZHIJV-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338890;MM338890;C#CC1(C#C)CC(=C)CO1;PSFUCLKBHBLPGY-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338891;MM338891;C=CC(=O)C=C(C#N)CO;PMIMTJNIVOTXKH-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338892;MM338892;C#CC1(C#C)CC(=O)CO1;RHMWHSPDMUNGRZ-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338893;MM338893;C=CC(=O)C=C(C=C)CF;WUQSNRCSTYGWBZ-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338894;MM338894;O=c1[nH][nH]c(=O)c(=O)o1;NNJOYQXIQIONIA-UHFFFAOYSA-N;130.06;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338895;MM338895;C=CC(=CC(=O)C=O)CF;FRWRIFFMIUSBIJ-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338896;MM338896;C#CC1(C#C)CCC(=N)N1;GJKGZFPRRDLIIJ-UHFFFAOYSA-N;132.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338897;MM338897;C=CC(=O)C=C(C=O)CF;XWWMCDSDMSNSGV-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338898;MM338898;C#CC1(C#C)CCC(=O)N1;GSEJPQPFJJDAIK-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338899;MM338899;O=CC(=O)C=C(C=O)CF;MOUDVTJKISJSIM-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338900;MM338900;C#CC1(C#C)CNC(=N)N1;HZPSXRAFPRIIIM-UHFFFAOYSA-N;133.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338901;MM338901;C=CC(=O)C=C(C=C)NC;YOIFEYYJIMFOQD-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338902;MM338902;C#CC1(C#C)CNC(=O)N1;GQNQCNSXEARXII-UHFFFAOYSA-N;134.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338903;MM338903;C=CC(=CC(=O)C=O)NC;ZJLKIWWXKBUFFA-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338904;MM338904;C#CCC(=C)C(C)CCO;BJHDWDBGKWOWQA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338905;MM338905;CNC(C#N)=CC(=O)C=O;KDCGMAZCXWYNBY-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338906;MM338906;C#CC1(C#C)COC(=O)N1;YNYHKDDZHNVMQT-UHFFFAOYSA-N;135.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338907;MM338907;C=CC(=C)C=C(C=C)OC;JVOCFTCGASUMMG-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338908;MM338908;C=CC(=CC(=C)C#N)OC;UPDVLIHHAAXMTG-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338909;MM338909;C#CC1(C#C)CCC(=C)O1;JVSQKRHBPNMLEJ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338910;MM338910;C=CC(=C)C=C(C#N)OC;TWAPYXSVBZPHAH-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338911;MM338911;C#CC1(C#C)CCC(=O)O1;CGDKJTZKGDZARR-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338912;MM338912;C=C(C=O)C=C(C#N)OC;OQBDVBQMVPNXMW-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338913;MM338913;C#CC1(C#C)CNC(=O)O1;ZFECUMPWGSPVDT-UHFFFAOYSA-N;135.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338914;MM338914;C=C(C#N)C=C(C=O)OC;FLQMCHKGNPYVPV-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338915;MM338915;C#CC1(C#C)COC(=O)O1;JKEIQWQMGWPXLY-UHFFFAOYSA-N;136.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338916;MM338916;C=CC(=O)C=C(C#N)OC;LVHWQUSAVKQZLX-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338917;MM338917;C#CC1(C#C)OCC(=C)O1;HYVPJIOWLJAMLM-UHFFFAOYSA-N;134.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338918;MM338918;COC(C=O)=CC(=O)C=O;YSPDJAPZRLONAZ-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338919;MM338919;C#CC1(C#C)OCC(=O)O1;JOFCEPQULFPXQO-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338920;MM338920;C#CC(=C)C=C(C=C)CC;CNCXLOMZMIMELB-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338921;MM338921;C#CC=C(C)C(C)CCO;KFOWEVCSFZWXLU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338922;MM338922;C#CC(=C)C=C(C=O)CC;PJVHADCPOGWMTI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338923;MM338923;CCC1(CC)C=CC(C)C1;QQGNQGLROOWTEL-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338924;MM338924;C#CC(=C)C=C(C#N)CC;ISWCJOZGBJXISQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338925;MM338925;CCC1(CN)C=CC(C)C1;ZIVSPRUDSHMLRQ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338926;MM338926;C#CC(=C)C=C(C=C)CN;GJPRDLDBEGCPGE-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338927;MM338927;CC1C=CC(CN)(CO)C1;ISSKRSJLRMKQED-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338928;MM338928;C#CC(=C)C=C(C=C)CO;OIOBYHGTESCESC-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338929;MM338929;CCC1(CC)C=CC(N)C1;PUMHQHHEMUUPMO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338930;MM338930;C#CC(=C)C=C(C=O)CO;ALOXSCZAAGLZCF-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338931;MM338931;CCC1(CN)C=CC(N)C1;FXNAKIADYBMACF-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338932;MM338932;C#CC(=C)C=C(C#N)CO;VMNILNCKBPUWGJ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338933;MM338933;CC(F)=C(C)C(C)CCO;ZCCHRWIXQLTNQZ-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338934;MM338934;C#CC(=C)C=C(C=C)CF;RXIVWNIWTZZXNP-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338935;MM338935;CCC1(CN)C=CC(O)C1;YBKNWDHJILLLBD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338936;MM338936;C#CC(=C)C=C(C#N)CF;DKFCXVSPNCUKHB-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338937;MM338937;NCC1(CO)C=CC(O)C1;PICDPTFHEFKRDT-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338938;MM338938;C#CC(=O)C=C(C=C)CC;NFKQEKGUJRAREB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338939;MM338939;CCC1(CC)C=CC(F)C1;AKOZILLHNBOHQA-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338940;MM338940;C#CC(=O)C=C(C#N)CC;GDMHKOYIGRRERI-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338941;MM338941;CCC1(CN)C=CC(F)C1;YERFPKFDDPGIGI-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338942;MM338942;C#CC(=O)C=C(C=O)CO;GXUNSZHQUCGCHQ-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338943;MM338943;CCC1(NC)C=CC(C)C1;ALTIFZPDKGSLGP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338944;MM338944;C#CC(=O)C=C(C#N)CO;YGVUDZFSQDMJNG-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338945;MM338945;CNC1(CN)C=CC(C)C1;YLOFGIOAYGPISK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338946;MM338946;C#CC(=O)C=C(C=C)CF;AQQQRABTLXTCJL-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338947;MM338947;CCC1(NC)C=CC(N)C1;YNJMFTIZOBVLJB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338948;MM338948;C#CC(=O)C=C(C=C)NC;AOBISUVMZHALQB-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338949;MM338949;CNC1(CN)C=CC(N)C1;DEUAMDLWUATLJX-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338950;MM338950;C#CC(=C)C=C(C=C)OC;NZYWTUGDIZJXLY-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338951;MM338951;CCC1(NC)C=CC(O)C1;HYRXDVAFNPFWSJ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338952;MM338952;C#CC(=C)C=C(C=O)OC;JHRJLMYNWZKUQI-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338953;MM338953;CNC1(CO)C=CC(O)C1;OGKSPKXQUFBOHH-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338954;MM338954;C#CC(=C)C=C(C#N)OC;JYWVWTXRKBSHOO-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338955;MM338955;CCC1(NC)C=CC(F)C1;KEERLZRCEGWPNQ-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338956;MM338956;C#CC(=O)C=C(C=C)OC;SPJXIJBKYFLRRS-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338957;MM338957;CNC1(CO)C=CC(F)C1;WXWBWCSBUVLZJE-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338958;MM338958;C#CC(=CC(=C)CC)CC;IFOURDNTQBRMDP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338959;MM338959;CCC1(OC)C=CC(C)C1;COYUXJPPFRGWSA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338960;MM338960;C#CC(=CC(=C)CN)CC;PBEKDXFHLFLYSA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338961;MM338961;CCC1(OC)C=CC(N)C1;JQJHLVLPYFMCCN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338962;MM338962;C#CC(=CC(=C)CO)CC;SEQPWHXYCZPOOF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338963;MM338963;CCC1(OC)C=CC(F)C1;WTJMKWSYYKSUDF-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338964;MM338964;C#CC(=CC(=C)CF)CC;SWGQPVYELRRXFV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338965;MM338965;CCC1(CN)C=CC(C)N1;HEXOKKYXMRGYEE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338966;MM338966;C#CC(=CC(=C)CO)CN;SJTBOVMEOMXHIQ-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338967;MM338967;CCC1(CO)C=CC(C)N1;KAXBRTXQTGQKPK-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338968;MM338968;C#CC(=CC(=C)CF)CO;AGJQLDNOKUOUMH-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338969;MM338969;CCC1(CC)C=NN(C)C1;OKZYKJGQFQBKJR-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338970;MM338970;C#CC(=CC(=C)CC)CF;PHOKRKBJZXKWJW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338971;MM338971;CCC1(CN)C=NN(C)C1;DQAPUGFGGJKDAV-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338972;MM338972;C#CC(=CC(=C)CN)CF;RDAPNRMMKMYHRH-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338973;MM338973;CN1CC(CN)(CN)C=N1;VQIJCQRDSCADAZ-UHFFFAOYSA-N;142.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338974;MM338974;C#CC(=CC(=C)CO)CF;HLNDQFFPJDMZMT-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338975;MM338975;CCC1(NC)C=NN(C)C1;QSTKOCZBGFAUSQ-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338976;MM338976;C#CC(=CC(=C)CF)CF;GEAJDDMSNQSECK-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338977;MM338977;CNC1(CN)C=NN(C)C1;REQLEHCZCVQZCF-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338978;MM338978;C#CC(=CC(=O)CC)CC;ZHLAODLWMWKSCI-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338979;MM338979;C#CC(=CC(=O)CF)CC;NAJQUYAWLOZLND-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338980;MM338980;CCC1(OC)C=NN(C)C1;XBEXSFQUMRLSHL-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338981;MM338981;C#CC(=CC(=O)CF)CO;BAWXOZBOLWATKI-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338982;MM338982;CCC1(CC)CN(C)C=N1;MAWVQRUUANXVNY-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338983;MM338983;C#CC(=CC(=O)CC)CF;ZZDGIDKFCMZKTF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338984;MM338984;CCC1(CN)CN(C)C=N1;YUFKWQBAXZTLEE-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338985;MM338985;C#CC(=CC(=O)CO)CF;FUANTBXKTDCKHB-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338986;MM338986;CN1C=NC(CN)(CN)C1;ARNXECIKZMXKND-UHFFFAOYSA-N;142.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338987;MM338987;C#CC(=CC(=O)CF)CF;QNEBTWAUWQBHBF-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338988;MM338988;C=CC1(CC)C=CC(C)C1;WNLRRZOBIDIGOL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338989;MM338989;C#CC(=CC(=N)NO)CC;WKSUUXXNIVMAGQ-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338990;MM338990;CCC1(C=O)C=CC(C)C1;GNDQEKPCMAPQQV-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338991;MM338991;C#CC(=CC(=N)NO)CN;UNAMFTVCNIWSGN-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338992;MM338992;CCC1(C#N)C=CC(C)C1;LYCMLQZZVOFTER-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338993;MM338993;C#CC(=CC(=N)NN)CO;AZLFHQGMSBUYEO-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338994;MM338994;C=CC1(CN)C=CC(C)C1;DTPNHXHZICOJRA-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338995;MM338995;C#CC(=CC(=N)NO)CO;XKMYROIRGZDTGE-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338996;MM338996;CC1C=CC(C#N)(CO)C1;RFOKRNZOVWQKFT-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338997;MM338997;CC=CC(O)C=CC;WHVATOGVKXQKTQ-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338998;MM338998;C=CC1(CC)C=CC(N)C1;SLTVPPFAZJUVTN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM338999;MM338999;C#CC(=CC(=O)NO)CC;LDIHPKBNTAYBOR-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339000;MM339000;C=CC1(CN)C=CC(N)C1;OUWUCVOFOYOMSQ-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339001;MM339001;C#CC(=CC(=O)NO)CN;CXFLWFYJUHYGNK-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339002;MM339002;CC=CC(CCO)CCF;QIIWDOZPUKOJSM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339003;MM339003;C#CC(=CC(=O)NC)CO;HCMURWODDAQLFX-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339004;MM339004;CCC1(C=O)C=CC(O)C1;HQDXCLBNFCINBS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339005;MM339005;Cc1c(N)noc1N;BMFGDDDLEZHKPQ-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339006;MM339006;CCC1(C#N)C=CC(O)C1;QWJNXPNXNJSMSX-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339007;MM339007;C#CC(=CC(=O)NO)CO;MRUSTDXWUUFQIO-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339008;MM339008;C=CC1(CN)C=CC(O)C1;MXSFSXRKYKEFGH-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339009;MM339009;CON=COCC=O;GIQOHSNYWWXZFM-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339010;MM339010;C=CC1(CO)C=CC(O)C1;BMXOSFAJQYOYPK-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339011;MM339011;C#CC(=CC(=O)NO)CF;PLLUZCXPJCYKJF-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339012;MM339012;N#CC1(CO)C=CC(O)C1;KSBQCBSMSVSMBT-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339013;MM339013;C#CC(=CC(=C)OC)CC;ZHUQXHBDPBXVEE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339014;MM339014;C=CC1(CC)C=CC(F)C1;CNIPSOXRLVIBKO-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339015;MM339015;C#CC(=CC(=C)OC)CO;HCJLVXBIOGABGX-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339016;MM339016;CCC1(C=O)C=CC(F)C1;DOYWXKVBADPIKU-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339017;MM339017;C#CC(=CC(=C)OC)CF;SOJCZFVAVYHHKF-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339018;MM339018;CCC1(C#N)C=CC(F)C1;QVIADWPFZZQWMG-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339019;MM339019;C#CC(=CC(=O)OC)CC;MQFLXKFHPPWJEZ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339020;MM339020;C=CC1(CN)C=CC(F)C1;RGFSTSUSDHGLCE-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339021;MM339021;C#CC(=CC(=O)OC)CO;BBUPWZDPZUSRMU-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339022;MM339022;C=CC1(NC)C=CC(C)C1;JEYOAGVUBDUBIO-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339023;MM339023;C#CC(=CC(=O)OC)CF;CCRYHHXXLFFIJS-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339024;MM339024;CNC1(C#N)C=CC(C)C1;ZWTGXMILUNQDDM-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339025;MM339025;C#CC(=CC(=O)CC)NC;YUZNTQWOBKMJJJ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339026;MM339026;C=CC1(NC)C=CC(N)C1;MWQPGQCQVIEXCC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339027;MM339027;C#CC(=CC(=N)NN)NC;VMOWDPFTPFJHJO-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339028;MM339028;C=CC1(NC)C=CC(O)C1;KHSDRRDKFZJWFB-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339029;MM339029;C#CC(=CC(=C)CC)OC;UDDMMICTTUEZPL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339030;MM339030;OCCC(C=CF)CCF;PNENPFCINVRARY-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339031;MM339031;C#CC(=CC(=C)CO)OC;KDRBLTXWFRWTNH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339032;MM339032;C=CC1(NC)C=CC(F)C1;YCGPTIXZKYCCDE-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339033;MM339033;C#CC(=CC(=C)CF)OC;XGKUNWYFEZKFPH-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339034;MM339034;CNC1(C#N)C=CC(F)C1;WMXHGMWHHGZNQT-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339035;MM339035;C#CC(=CC(=O)CC)OC;DJOCAKYRGJKXFA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339036;MM339036;COC1(C=O)C=CC(C)C1;HCKQFCIHXQSFCB-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339037;MM339037;C#CC(=CC(=O)CO)OC;UMKWACBLVQYJKE-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339038;MM339038;COC1(C#N)C=CC(C)C1;GEIVVLGCTICQFN-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339039;MM339039;C#CC(=CC(=O)CF)OC;HCHAQIQSEJFNDW-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339040;MM339040;C=CC1(OC)C=CC(O)C1;PSXWOZIXGBQTFY-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339041;MM339041;C#CC(=CC(=N)NN)OC;PUCBJDMXNQIZRQ-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339042;MM339042;C=CC1(OC)C=CC(F)C1;BMRCRHXDFBEBCN-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339043;MM339043;C#CC(=CC(=C)OC)OC;WMGANGDAMBDIRD-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339044;MM339044;C=CC1(CC)C=CC(C)N1;JOCPNUQTYUSMJO-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339045;MM339045;C#CC(=CC(=O)OC)OC;KGSCLYHFGOOVAA-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339046;MM339046;CCC1(C=O)C=CC(C)N1;HFVQJMXJNVVUSA-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339047;MM339047;C#CC(=CC(=C)C=C)CC;MCFWSBXMCRGKOM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339048;MM339048;C=CC1(CN)C=CC(C)N1;OIMODSZQDZEDCF-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339049;MM339049;C#CC(=CC(=C)C=O)CC;RDENPYAABSGVCA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339050;MM339050;CCC1(C#N)C=CC(C)O1;XNTXTCZYDLYWCO-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339051;MM339051;C#CC(=CC(=C)C#N)CC;HIADKRWYQVBXLH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339052;MM339052;C=CC1(OC)C=CC(C)O1;PZGAMTSNXLDFEJ-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339053;MM339053;C#CC(=CC(=C)C#N)CF;DYLOEHWYIYZNMA-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339054;MM339054;C=CC1(CC)C=NN(C)C1;INVBFOQXSIIKLX-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339055;MM339055;C#CC(=CC(=O)C=C)CC;RRNIVZKAHBHWRF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339056;MM339056;CCC1(C=O)C=NN(C)C1;JIKZOTCKOZHWCV-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339057;MM339057;C#CC(=CC(=O)C#N)CC;XDXDJEWQELDORA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339058;MM339058;C#CC(=CC(=O)C=C)CF;PDVCREFCMVLFDS-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339059;MM339059;CCC1(C#N)C=NN(C)C1;FUUVZLJZHUPVRE-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339060;MM339060;C#CC(=CC(=O)C#N)CF;UFPFKHAMUQZWIZ-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339061;MM339061;C=CC1(CN)C=NN(C)C1;XUSMAWWFBIFVSL-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339062;MM339062;C#CC(=CC(=O)C=C)NC;YGLASWPYMCFKEM-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339063;MM339063;C=CCC(CC=O)=NN=C;WIPKXRGBEHSUIH-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339064;MM339064;C#CC(=CC(=O)C=O)NC;FMMHLSLVEVLWPW-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339065;MM339065;CNC1(C=O)C=NN(C)C1;ZAKPVLQNBIQICN-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339066;MM339066;C#CC(=CC(=C)C=C)OC;SWPMJXYUKIORSV-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339067;MM339067;CNC1(C#N)C=NN(C)C1;GMACXRMNHVSOFL-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339068;MM339068;C#CC(=CC(=C)C=O)OC;JIYCLPJQUPFQCX-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339069;MM339069;C=CC1(OC)C=NN(C)C1;QGYLJXMNECFKDA-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339070;MM339070;C#CC(=CC(=C)C#N)OC;SEQSCYSDSFLHCK-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339071;MM339071;COC1(C#N)C=NN(C)C1;SCYBXEHRKXYECH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339072;MM339072;C#CC(=CC(=O)C=C)OC;VAOZVNRETMPDPM-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339073;MM339073;C=CC1(CC)CN(C)C=N1;UIPUWHYLKQAHRW-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339074;MM339074;C#CC(=C)C=C(C#C)CC;UVUGFHGGKULLDU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339075;MM339075;C=C(C=CC)CC1CC1O;FLCALZOZMDMGSH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339076;MM339076;C#CC(=C)C=C(C#C)CN;LOIATETWSFWNCB-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339077;MM339077;C=C(C)C(=C)CC1CC1O;AQANRXSZQLDSRU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339078;MM339078;C#CC(=C)C=C(C#C)CO;NYIPFSWQXKTTDX-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339079;MM339079;C=C(CC1CC1O)C(C)=O;CDXLCZXLSZBFIC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339080;MM339080;C#CC(=C)C=C(C#C)CF;UXNLLPYXCFTNTM-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339081;MM339081;CCC(C#N)=CCC(C)O;GXILSIWNGAEPHL-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339082;MM339082;C#CC(=O)C=C(C#C)CC;LAEQPZXMARCLIC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339083;MM339083;C=CC(CCO)CCCF;SMUWWTKBQQKTDO-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339084;MM339084;C#CC(=O)C=C(C#C)CF;TWJRQUVUQGDRMJ-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339085;MM339085;C=CC(CC#CC)CCO;WVWDWGKGMPPCAK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339086;MM339086;C#CC(=C)C=C(C#C)OC;SKNNJHKSNFTXFN-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339087;MM339087;C=NOCC(=CC)CC=O;NICKNVINHVNTIC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339088;MM339088;C#CC(=O)C=C(C#C)OC;YIPPYCHQRQHJFJ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339089;MM339089;C#CC1(CC)C=CC(C)C1;NOHHZIQDZDFUOR-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339090;MM339090;C=CC(C=C)=CC(=C)CC;GQXWJGKYUPGLLO-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339091;MM339091;C=CC(C=C)=CC(=C)CN;XCNUGFSBWIOELC-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339092;MM339092;C#CC1(CN)C=CC(C)C1;OKASPQSAURXYTL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339093;MM339093;C=CC(C=C)=CC(=C)CO;CJQAKKMEGAOFOP-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339094;MM339094;C=NN=CC(CC)CC=O;VOHXRPFQWOAUMG-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339095;MM339095;C=CC(C=C)=CC(=C)CF;RSXCSGOCKCUDTF-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339096;MM339096;C#CC1(CC)C=CC(N)C1;NZINYNWXBPGCDA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339097;MM339097;C=CC(C=O)=CC(=C)CC;SYCAQRMWNAXJQN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339098;MM339098;C#CC1(CN)C=CC(N)C1;VGSGDDHMDYCBDE-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339099;MM339099;C=CC(C#N)=CC(=C)CC;ZLYBZHOGNAQRQD-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339100;MM339100;C#CC1(CO)C=CC(N)C1;IOVPQPCZCLPKPT-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339101;MM339101;C=CC(C=O)=CC(=C)CO;LAXMIMXXCAOLPD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339102;MM339102;C#CC1(CF)C=CC(N)C1;OMDNFVPUZNOXEA-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339103;MM339103;C=CC(C#N)=CC(=C)CO;RUAIXNSLTDEPMU-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339104;MM339104;C=NNC(=NC=NC)OC;JGFAANKLMCMVEH-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339105;MM339105;C=CC(C=O)=CC(=C)CF;VCTZMCYZPRQYEY-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339106;MM339106;C#CC1(CN)C=CC(O)C1;BCMNCRNPYVWEBC-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339107;MM339107;C=CC(C#N)=CC(=C)CF;FBBLNQDFBHPIBQ-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339108;MM339108;C#CC1(CO)C=CC(O)C1;RGEIUPDFSZDEIL-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339109;MM339109;C=C(C=C(C=O)C=O)CF;KPWNQCMSXTYKHG-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339110;MM339110;C#CC1(CC)C=CC(F)C1;OYYKNUMBKLQPMP-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339111;MM339111;C=C(C=C(C#N)C=O)CF;VEQQDRGMMLIQGG-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339112;MM339112;C#CC1(CN)C=CC(F)C1;CVZNZEXSAZYQHK-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339113;MM339113;C=C(C=C(C#N)C#N)CF;HLVHNCSHXWFNFC-UHFFFAOYSA-N;136.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339114;MM339114;C#CC1(NC)C=CC(C)C1;RKQCDKHIEAGYMZ-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339115;MM339115;C=CC(C=C)=CC(=O)CC;ULYKXZNQKNYJCI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339116;MM339116;C#CC1(NC)C=CC(N)C1;KCTFFFILHYREBG-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339117;MM339117;C=CC(C=C)=CC(=O)CF;LMBOVCNBBMQMOA-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339118;MM339118;C=CC(C=O)=CC(=O)CC;LLVOFLFKUUMPGE-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339119;MM339119;C#CC1(OC)C=CC(C)C1;FJZPSNQQRIRJOZ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339120;MM339120;C=CC(C#N)=CC(=O)CC;YTMZWMMVUSVOGK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339121;MM339121;C#CC1(OC)C=CC(N)C1;DYYNFOWVDYAUTB-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339122;MM339122;C=CC(C=O)=CC(=O)CO;IEZOMBVAAYWALN-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339123;MM339123;C#CC1(OC)C=CC(O)C1;MBPCWVOIHVVHIT-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339124;MM339124;C=CC(C=O)=CC(=O)CF;RADSQNFMIXVZRH-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339125;MM339125;C#CC1(CC)C=CC(C)N1;ZHJYCEQAYLPQSS-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339126;MM339126;C=CC(C#N)=CC(=O)CF;FMXXYHHCXHMYAQ-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339127;MM339127;C#CC1(CN)C=CC(C)N1;CDEXHGDMNQGWRA-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339128;MM339128;CCC(=O)C=C(C=O)C=O;YEPCPXKWPJJRMY-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339129;MM339129;C#CC1(CO)C=CC(C)N1;MLZXBAVGEFTDGG-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339130;MM339130;CCC(=O)C=C(C#N)C=O;WXFSVGLKHADYEJ-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339131;MM339131;C#CC1(CC)C=CC(C)O1;XUMYTAJOTYUESY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339132;MM339132;N#CC(C=O)=CC(=O)CO;JASBMDXMVWGAMS-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339133;MM339133;C#CC1(CN)C=CC(C)O1;ZXEWGDOLZHOABI-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339134;MM339134;O=CC(C=O)=CC(=O)CF;LAJPIMLGPASRGX-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339135;MM339135;C#CC1(OC)C=CC(C)O1;HAHSORSJLKYPGE-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339136;MM339136;C=CC(C=C)=CC(=N)NC;WBYUSYGKQPKVJI-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339137;MM339137;C#CC1(CC)C=NN(C)C1;IRSHEBVHYBTKIU-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339138;MM339138;C=CC(C=C)=CC(=N)NN;YTHYHGYIJKOMQH-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339139;MM339139;C#CC1(CN)C=NN(C)C1;OUEWDJXZZRHWRC-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339140;MM339140;C=CC(C=C)=CC(=N)NO;UYQNVEAZRTZPCU-UHFFFAOYSA-N;138.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339141;MM339141;CC1C(CC(=O)C=O)N1C;HRZKXMCKXJBOEE-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339142;MM339142;C=CC(C#N)=CC(=N)NC;LJBPBOFCDSWAEB-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339143;MM339143;CN=C(N)C=C(C#N)C=O;GQAQLQMKRANWPW-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339144;MM339144;C#CC1(OC)C=NN(C)C1;JVZSVVFKJVGJLC-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339145;MM339145;CNC(=N)C=C(C#N)C#N;OMBFVQZZHZVGHQ-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339146;MM339146;C#CC1(CC)CN(N)C=N1;NBSKXHZFNDWQGQ-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339147;MM339147;NC(C=C(C=O)C=O)=NO;OXUQUKXGXPMMAQ-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339148;MM339148;C#CC(C=O)CNN=CC;MVPYGMKODIWLNH-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339149;MM339149;N#CC(C=O)=CC(N)=NO;UEPKNYBSGYXWEJ-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339150;MM339150;CCC(CO)CC#CC=O;ZXRLUAJNZRVADH-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339151;MM339151;C#CC#CC(C)C(C)O;MOIOOKSOGSZGBX-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339152;MM339152;C=CC1(C=C)C=CC(C)C1;NDHPIUXYBQDLDK-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339153;MM339153;CCC(O)CC#CC=O;SPJMYKQTVNQYPL-UHFFFAOYSA-N;126.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339154;MM339154;C=CC1(C=O)C=CC(C)C1;RKCMJGJVFJQFAD-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339155;MM339155;C=CC(C=C)=CC(=O)NO;WTVDVTPNBICVKU-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339156;MM339156;C=CC1(C#N)C=CC(C)C1;DCEHZYVZIGNTRD-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339157;MM339157;C=CC(C#N)=CC(=O)NC;ITSLUAHLPPDHTP-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339158;MM339158;CC1C=CC(C=O)(C=O)C1;OHAZEMZHPPOZPJ-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339159;MM339159;CNC(=O)C=C(C=O)C=O;QFCDNNVFADNQRP-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339160;MM339160;CC1C=CC(C#N)(C#N)C1;IUXPGGARRRWYIL-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339161;MM339161;CNC(=O)C=C(C#N)C=O;XZSWJAUYRLFGJK-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339162;MM339162;C=CC1(C=C)C=CC(N)C1;SYRNVQXLCGTYMF-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339163;MM339163;C=CC(C=C)=CC(=C)OC;PJDHHTPKUTZEJW-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339164;MM339164;C=NN(CC)C(C)CC=O;WEAHMHFBUJPTNZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339165;MM339165;C=CC(C#N)=CC(=C)OC;GEJCGDNODJKYQL-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339166;MM339166;C=CC1(C=O)C=CC(O)C1;KXGIXRPGFAVUKV-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339167;MM339167;C=C(C=C(C#N)C=O)OC;XDIUPWFZILEVNG-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339168;MM339168;C=CC1(C#N)C=CC(O)C1;NMSBNYFDJTWCFC-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339169;MM339169;C=CC(C=C)=CC(=O)OC;WWRWYJZVOMAAAN-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339170;MM339170;O=CC1(C=O)C=CC(O)C1;BECGDSWSNOBPJR-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339171;MM339171;COC(=O)C=C(C#N)C#N;HFMWKBNTSDRPPP-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339172;MM339172;N#CC1(C=O)C=CC(O)C1;ZBEYBMLCMVMECV-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339173;MM339173;C=CC(=C)C=C(C=C)C=C;ZGQJYLIOMWIRSS-UHFFFAOYSA-N;132.21;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339174;MM339174;N#CC1(C#N)C=CC(O)C1;PVFMVBICMXTRGX-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339175;MM339175;C=CC(C=C)=CC(=C)C=O;JCIMEJFQAMBPSY-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339176;MM339176;C=CC1(C=C)C=CC(F)C1;LPPMSFXCVRIRGV-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339177;MM339177;C=CC(C=C)=CC(=C)C#N;ZVGAUUHFVCDQOJ-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339178;MM339178;C=CC1(C=O)C=CC(F)C1;VSHVSIWSLUCNGE-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339179;MM339179;C=CC(=C)C=C(C=C)C=O;DAQABOVDNWRKFZ-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339180;MM339180;C=CC1(C#N)C=CC(F)C1;HNIUDMVWDFMNAT-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339181;MM339181;C=CC(=C)C=C(C#N)C=C;URZWZUIBTYJFFS-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339182;MM339182;O=CC1(C=O)C=CC(F)C1;UBQYMLDVPHRGLK-UHFFFAOYSA-N;142.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339183;MM339183;C=CC(C#N)=CC(=C)C=O;ZPVNXBJHFXCTKV-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339184;MM339184;N#CC1(C=O)C=CC(F)C1;JRDLNTZIVNGNLU-UHFFFAOYSA-N;139.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339185;MM339185;C=CC(C=O)=CC(=C)C#N;PRBALZZBJGGODL-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339186;MM339186;N#CC1(C#N)C=CC(F)C1;HLCRKGCLUORGTG-UHFFFAOYSA-N;136.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339187;MM339187;C=CC(C#N)=CC(=C)C#N;RGOUFXQCGLOUJC-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339188;MM339188;C=CC1(C=C)C=CC(C)N1;QBNTUYMIXXZUFL-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339189;MM339189;C=CC(=C)C=C(C#N)C#N;YBZMFJYZJSBCGZ-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339190;MM339190;C=CC1(C#N)C=CC(C)N1;OYKBIVMVANCWGZ-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339191;MM339191;C=C(C=O)C=C(C=O)C=O;IHBXNGZRBPWMQE-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339192;MM339192;CC1C=CC(C#N)(C=O)N1;WOUFIZPGHQROHG-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339193;MM339193;C=CC(=O)C=C(C=C)C=C;NGHZLLGQGUREPA-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339194;MM339194;CC1C=CC(C#N)(C#N)N1;YFAMVDXKOHEVQI-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339195;MM339195;C=CC(=O)C=C(C=C)C=O;VXACGUNIPSMSHO-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339196;MM339196;C=CC1(C=C)C=CC(C)O1;ZYJMZHVPBVRHLV-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339197;MM339197;C=CC(=O)C=C(C#N)C=C;RHQMEDZOFKWLLP-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339198;MM339198;C=CC1(C#N)C=CC(C)O1;AXBFOEIGPMHDKO-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339199;MM339199;C=CC(C=O)=CC(=O)C=O;XQCZBMQJWLVFOY-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339200;MM339200;CC1C=CC(C#N)(C#N)O1;ACPZIHPZUDIQOI-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339201;MM339201;C=CC(C#N)=CC(=O)C=O;MTLPSEXDZWTIHV-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339202;MM339202;C=CC1(C=C)C=NN(C)C1;YLBNXBWRRPDLJS-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339203;MM339203;C=CC1(C=O)C=NN(C)C1;ZYPOQESPDGYAHI-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339204;MM339204;C=CC(C#N)=CC(=O)C#N;JAXXXKXVLMFODP-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339205;MM339205;C=CC1(C#N)C=NN(C)C1;LIZQGYHWVFZRKJ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339206;MM339206;C=CC(=O)C=C(C=O)C=O;AQTQWESDVFSLQQ-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339207;MM339207;CN1CC(C=O)(C=O)C=N1;ILBMCCRZJZZHDU-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339208;MM339208;O=CC(=O)C=C(C=O)C=O;KWVIGVRSNXSODT-UHFFFAOYSA-N;140.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339209;MM339209;CN1CC(C#N)(C=O)C=N1;QUIJSCCEMXKISR-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339210;MM339210;N#CC(C=O)=CC(=O)C=O;VXJHVYVDFVAWQU-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339211;MM339211;CN1CC(C#N)(C#N)C=N1;BZCXFUYAPBKRQA-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339212;MM339212;N#CC(=O)C=C(C#N)C#N;VSZGSCBSOZCLAH-UHFFFAOYSA-N;131.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339213;MM339213;C=CC1(C#N)CN(C)C=N1;UJTNNUSSTHVNRR-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339214;MM339214;C#CC(=C)C=C(C=C)C=C;VULDQNXUJUZEBS-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339215;MM339215;CN1C=NC(C#N)(C=O)C1;WTHSNERMXXYITL-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339216;MM339216;C#CC(=C)C=C(C=C)C=O;TXXRFUWWAGPVOH-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339217;MM339217;CN1C=NC(C#N)(C#N)C1;YLDUQGSFSBATQW-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339218;MM339218;C#CC(=C)C=C(C#N)C=C;AIRZDKVHRIUVGD-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339219;MM339219;C#CC1(CO)CC1CC=O;MTMAPUACWFYQBT-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339220;MM339220;C#CC(=C)C=C(C#N)C#N;WMWCKHSFDQXTHX-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339221;MM339221;C=CC(=CC)CC1CC1O;SZNZDDBBBNRATF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339222;MM339222;C#CC(=O)C=C(C=C)C=C;XJFAYYKYJRDEJS-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339223;MM339223;C=CC(=CF)CC1CC1O;VMEZAFCLMOFFFN-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339224;MM339224;C#CC(=O)C=C(C=C)C=O;XTBLGNYKKSWJNR-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339225;MM339225;CC=C(C=O)CC1CC1O;PERCGPIRVNQGTH-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339226;MM339226;C#CC(=O)C=C(C#N)C=C;SRAIYTXTJLLQQD-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339227;MM339227;C#CC1(C=C)C=CC(C)C1;HOLARGRSSUQGIU-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339228;MM339228;C#CC(=O)C=C(C#N)C#N;QYQIMZXYHCTZKD-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339229;MM339229;C#CC1(C=O)C=CC(C)C1;MAATVRLPDVSGQV-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339230;MM339230;C#CC(C=C)=CC(=C)CC;YNHHYEWBYGDQQD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339231;MM339231;C#CC1(C#N)C=CC(C)C1;DBWHINMAVLYURG-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339232;MM339232;C#CC(C=C)=CC(=C)CN;HGMJSBSHMDZSKI-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339233;MM339233;C#CC1(C=C)C=CC(N)C1;APVRTRGRUGOHSC-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339234;MM339234;NC=C(C=O)CC1CC1O;LTCJBKIWLWJBEH-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339235;MM339235;C#CC(C=C)=CC(=C)CF;PNSNDPHIBFINDJ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339236;MM339236;C#CC1(C=O)C=CC(O)C1;WWJYFVNNRSGXJT-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339237;MM339237;C#CC(C=O)=CC(=C)CC;FZHOFWSBPMQXOW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339238;MM339238;C#CC1(C#N)C=CC(O)C1;HBVKPLPRGSJHPI-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339239;MM339239;C#CC(C#N)=CC(=C)CC;FZQPKWSMTJAJLE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339240;MM339240;C#CC1(C=C)C=CC(F)C1;VAKVWMUPMHJWSB-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339241;MM339241;C#CC(C=C)=CC(=O)CC;WGBAOWMRUBJEBG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339242;MM339242;C#CC1(C=O)C=CC(F)C1;MITWSLHVYLXIDQ-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339243;MM339243;C#CC(C=C)=CC(=O)CO;HBMRPHPEDUEKNE-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339244;MM339244;C#CC1(C#N)C=CC(F)C1;PVMUFFFCPAXNRP-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339245;MM339245;C#CC(C=C)=CC(=O)CF;OXEWPEULNQBRSG-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339246;MM339246;C#CC1(C=C)C=CC(C)N1;DJVOIZMQWQPONZ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339247;MM339247;C#CC(C=O)=CC(=O)CC;IEOPFUKRJKMWIY-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339248;MM339248;C#CC1(C#N)C=CC(C)N1;ZICZLQXIXZFXHJ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339249;MM339249;C#CC(C#N)=CC(=O)CC;UQPKLUKNCORPJG-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339250;MM339250;C#CC1(C=C)C=CC(C)O1;FGYUTKQPMGMRRX-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339251;MM339251;C#CC(C=O)=CC(=O)CO;KDPLJDBYRJAHKL-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339252;MM339252;C#CC1(C#N)C=CC(C)O1;ZGHSNKYEDVFTAZ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339253;MM339253;C#CC(C=C)=CC(=N)NN;DPXBJUXYNWPKMT-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339254;MM339254;C#CC1(C=C)C=NN(C)C1;PWLWELAUVAGNMP-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339255;MM339255;C#CC(C=C)=CC(=N)NO;IYRDGHRPLQNSQE-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339256;MM339256;C#CC1(C=O)C=NN(C)C1;YRBBLFDGDHEKII-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339257;MM339257;N#CC1=CC(=O)C(=N)N1;MPCXRFAIMIRDIX-UHFFFAOYSA-N;121.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339258;MM339258;C#CC1(C#N)C=NN(C)C1;JXOAMZGYFGBDOA-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339259;MM339259;C#CC(C=O)=CC(=O)NC;ZLYLDSMOZSECKH-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339260;MM339260;C#CC1(C=O)CN(C)C=N1;IPTGKMUJCYLQAL-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339261;MM339261;C#CC(C=C)=CC(=C)OC;DUMKJWVYKSEPLT-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339262;MM339262;C#CC1(C#N)CN(C)C=N1;JUMPJUGULUSQFY-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339263;MM339263;C#CC(C=O)=CC(=C)OC;FIHUZUDKJFTPQI-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339264;MM339264;C#CC1(C=C)CN(N)C=N1;ZIIAJTOVBJASMW-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339265;MM339265;O=CC(=CF)CC1CC1O;NMVMZCODVGLCIP-UHFFFAOYSA-N;144.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339266;MM339266;C#CC(C#N)=CC(=C)OC;BUMYMMZHYFUUCD-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339267;MM339267;C=C(C1CC1O)C1(C)CC1;RQUKXRNNYUYNJD-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339268;MM339268;C#CC(C#N)=CC(=O)OC;CWZYCSWRNMFIOB-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339269;MM339269;CCOCCC1CC1CO;ZJTPHSKISRHJEQ-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339270;MM339270;C#CC(C=C)=CC(=C)C=C;DSHQRXZKGREMIB-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339271;MM339271;C#CC1(C#C)C=CC(C)C1;AHNFOHRNWXVKED-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339272;MM339272;C#CC(C=C)=CC(=C)C=O;YXJJAQUQIMBZBE-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339273;MM339273;C#CC1(C#C)C=CC(N)C1;MWCSXUXVAGIVRH-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339274;MM339274;C#CC(C=C)=CC(=C)C#N;VXSCQANVLVIQDK-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339275;MM339275;CC=CCCC1CC1CO;ZHMBAHPAJKZJJY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339276;MM339276;C#CC(C=O)=CC(=C)C=C;UXBFGJVUMSHLHQ-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339277;MM339277;C#CC1(C#C)C=CC(F)C1;ZSBXVVZTOCPOJA-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339278;MM339278;C#CC(C=O)=CC(=C)C=O;VQXVLOZWZXOWRY-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339279;MM339279;C#CC1(C#C)C=CC(C)O1;UBHLHSURKPNIOB-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339280;MM339280;C#CC(C#N)=CC(=C)C#N;NMYALXRLRYJVCJ-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339281;MM339281;C#CC1(C#C)C=NN(C)C1;HUXZCDGDCPRWSZ-UHFFFAOYSA-N;132.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339282;MM339282;C#CC(C=C)=CC(=O)C=C;PUUPEVZXZIGYNF-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339283;MM339283;C#CC1(C#C)CN(C)C=N1;USRFAACRVNFMJR-UHFFFAOYSA-N;132.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339284;MM339284;C#CC(C=C)=CC(=O)C=O;AYEWAGCEFFASKA-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339285;MM339285;C#CC1(C#C)CN(N)C=N1;SVRXVLBWBHXDRX-UHFFFAOYSA-N;133.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339286;MM339286;C#CC(C=C)=CC(=O)C#N;HVFMMKJHOFUEQH-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339287;MM339287;CC1CC1CC1CC1CO;LJVQIMGDMYDBFL-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339288;MM339288;C#CC(C=O)=CC(=O)C=C;LRANMXHIXXSFFT-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339289;MM339289;C=C1C=CC(CC)(CC)C1;TYFPNGCHMPWWJI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339290;MM339290;C#CC(C#N)=CC(=O)C=C;BSZBSLMQYYUZAB-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339291;MM339291;C=C1C=CC(CC)(CN)C1;WJUNRGQKLBVRLK-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339292;MM339292;C#CC(C#N)=CC(=O)C=O;FAGFNPXQBHSUEI-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339293;MM339293;CCC1CC1O;ZPPTYIDCMYFUOJ-UHFFFAOYSA-N;86.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339294;MM339294;C#CC(C#N)=CC(=O)C#N;DCXZLOVQXUHMQB-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339295;MM339295;C=C1C=CC(CC)(CF)C1;WRPYIORVPAPRDF-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339296;MM339296;C#CC(=C)C=C(C#C)C=C;ZXNHDEDYVTTZCA-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339297;MM339297;C=C1C=CC(CN)(CN)C1;JAUZPDFRWCYSJU-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339298;MM339298;C#CC(=C)C=C(C#C)C=O;MMUZGNVZWWKNCW-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339299;MM339299;C=C1C=CC(CN)(CO)C1;OFYHHYNDDBYMQY-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339300;MM339300;C#CC(=C)C=C(C#C)C#N;AIRRKVHAXQMWSI-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339301;MM339301;CCC1(CC)C=CC(=O)C1;WGMFBQPFJIYROJ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339302;MM339302;C#CC(=O)C=C(C#C)C=C;NULOYZBDFBPIPD-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339303;MM339303;C=C1C=CC(CC)(NC)C1;QUOZURUVHRFJQD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339304;MM339304;C#CC(=O)C=C(C#C)C#N;PNTOBXSBGAUZOP-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339305;MM339305;C=C1C=CC(CN)(NC)C1;PAMJGELXQOYVFP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339306;MM339306;C#CC(C#C)=CC(=C)CC;BEFINUUOQZAEKG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339307;MM339307;C=C1C=CC(CO)(NC)C1;JMCIVXNONKWRMA-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339308;MM339308;C#CC(C#C)=CC(=C)CN;MAXNUVWRVYFXGN-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339309;MM339309;CCC1(NC)C=CC(=O)C1;DUBJPAZFLOWBQW-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339310;MM339310;C#CC(C#C)=CC(=C)CO;KABOUFGOLOMMTI-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339311;MM339311;C=C1C=CC(CN)(OC)C1;WVEYLOQMBSETTH-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339312;MM339312;C#CC(C#C)=CC(=C)CF;BYAABCYZPRJKOI-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339313;MM339313;CCC1(CC)C=CC(=N)N1;RPKVRTVINSFRDA-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339314;MM339314;C#CC(C#C)=CC(=O)CC;OMQXMPYOLFIOEK-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339315;MM339315;CCC1(CN)C=CC(=N)N1;URAWDYVUNBQMRE-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339316;MM339316;C#CC(C#C)=CC(=O)CF;HJKBXXKFEOITTE-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339317;MM339317;N=C1C=CC(CN)(CN)N1;LYVCILKZWQMGHK-UHFFFAOYSA-N;140.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339318;MM339318;C#CC(C#C)=CC(=N)NC;ZXVJRDKMQXHBIA-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339319;MM339319;CCC1(CC)C=CC(=O)N1;WVQSRACYUCYMFK-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339320;MM339320;C#CC(C#C)=CC(=C)OC;BZJSMUDCDDIRRA-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339321;MM339321;CCC1(CN)C=CC(=O)N1;JLQRKJDNCHSRAQ-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339322;MM339322;C#CC(C#C)=CC(=O)OC;IGTPJBKZUVNVAN-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339323;MM339323;NCC1(CN)C=CC(=O)N1;LTCWPFHXOZSOPI-UHFFFAOYSA-N;141.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339324;MM339324;C#CC(C#C)=CC(=C)C=C;PDVRNSOVKZYGAF-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339325;MM339325;C=C1C=CC(CC)(CC)O1;SWKBXDKTZQLGAP-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339326;MM339326;C#CC(C#C)=CC(=C)C=O;ITAMQRQQDUDOMK-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339327;MM339327;C=C1C=CC(CC)(CN)O1;PMXXVUCVDVMOMS-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339328;MM339328;C#CC(C#C)=CC(=C)C#N;WLGGEPSZTSBBLM-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339329;MM339329;CCC1(CC)C=CC(=O)O1;MGFFAQXEPADZDB-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339330;MM339330;C#CC(C#C)=CC(=O)C=C;SKBKTGLQTDTHCH-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339331;MM339331;CCC1(CN)C=CC(=O)O1;PBSPAMQBGXSXMP-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339332;MM339332;C#CC(C#C)=CC(=O)C=O;MHMXBDZISHGDGM-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339333;MM339333;NCC1(CN)C=CC(=O)O1;VSJNTCSUFOOETM-UHFFFAOYSA-N;142.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339334;MM339334;C#CC(C#C)=CC(=O)C#N;XBHWHYQWZOATBH-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339335;MM339335;C=C1C=CC(CC)(OC)O1;XEDNRONMANOCAV-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339336;MM339336;C#CC(=C)C=C(C#C)C#C;YPHNBRUWDZBKNG-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339337;MM339337;CCC1(OC)C=CC(=O)O1;VZWSYQVRDZKYDD-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339338;MM339338;C#CC(=O)C=C(C#C)C#C;PLEJPDPPYGSALK-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339339;MM339339;C=CC1(CC)C=CC(=C)C1;AGTRSYOBHMCPGP-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339340;MM339340;CC=C(C)C=C(CC)CC;DFMZXFMXCJIGCE-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339341;MM339341;C=C1C=CC(C=O)(CC)C1;VERLSNKNSBCZCO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339342;MM339342;CCC(=CC(C)=CF)CC;MKDUSAMOIKHPOZ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339343;MM339343;C=C1C=CC(C#N)(CC)C1;QALQIYCWFWNYSJ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339344;MM339344;CC=C(C)C=C(CC)CN;VNVGZPZEXJKEAV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339345;MM339345;C=CC1(CN)C=CC(=C)C1;KEJHCOKOVAOSAS-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339346;MM339346;CCC(=CC(C)=CF)CN;WOPQUTPBYUERNE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339347;MM339347;C=NOCC(C)=O;QMSFFDRVPOTONR-UHFFFAOYSA-N;101.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339348;MM339348;C#CC(C#C)C1CC1O;QKYFKWNFWAIHIW-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339349;MM339349;C=C1C=CC(C=O)(CO)C1;OVKRKLBMROGHBI-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339350;MM339350;CC=C(C)C=C(CC)CF;YFDAHTPIGFPFRS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339351;MM339351;C=C1C=CC(C#N)(CO)C1;OSBLLQAAOHYNEA-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339352;MM339352;CC(=CF)C=C(CN)CN;TWLWHXNDYWNGGB-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339353;MM339353;C=CC1(CF)C=CC(=C)C1;AFHHLOMAKLTHQO-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339354;MM339354;CC=C(C)C=C(CN)CO;XGODIGYWJBAXHM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339355;MM339355;C=CC1(CC)C=CC(=O)C1;XKSQCMCDZUNIMC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339356;MM339356;CC=C(C)C=C(CN)CF;FIDUEHSLGXXIOC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339357;MM339357;CCC1(C=O)C=CC(=O)C1;HNJCZOVWXPCBSW-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339358;MM339358;CC(=CF)C=C(CN)CF;AULVZSHNNOBRGH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339359;MM339359;CCC1(C#N)C=CC(=O)C1;CJWUBTQUPYRUMH-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339360;MM339360;CC=C(C)C=C(CF)CF;QDBCIJDDWFXEGM-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339361;MM339361;C=CC1(CO)C=CC(=O)C1;ACBFRVORNSNFOD-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339362;MM339362;CC(=CF)C=C(CF)CF;KZZXKLQRMQFZHA-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339363;MM339363;O=CC1(CO)C=CC(=O)C1;ABFUSSJVSWNJLI-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339364;MM339364;CC=C(F)C=C(CC)CC;ACDQAJBZPXZZCE-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339365;MM339365;N#CC1(CO)C=CC(=O)C1;LIELZEFHXRCLRD-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339366;MM339366;CCC(=CC(F)=CF)CC;IMBQEMGKGASXSD-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339367;MM339367;C=CC1(NC)C=CC(=C)C1;MSRMTFUSDYUWDE-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339368;MM339368;CC=C(F)C=C(CC)CN;ZWCGALSYFKATEH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339369;MM339369;C=C1C=CC(C#N)(NC)C1;HVKMMCIJPVZBOW-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339370;MM339370;CCC(=CC(F)=CF)CN;SFMZJEWHSYQXKI-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339371;MM339371;C=CC1(NC)C=CC(=O)C1;BZGZBSXPAGRHQY-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339372;MM339372;CC=C(F)C=C(CC)CO;JFNCVNLVXGTZJD-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339373;MM339373;CCC(=CC(F)=CF)CF;MALFOBXGJHWDEL-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339374;MM339374;C=CCC1CC1O;JIUGKYNWHBZURG-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339375;MM339375;CC=C(F)C=C(CN)CN;LNOBUUKLFFKCEA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339376;MM339376;C=CC1(OC)C=CC(=C)C1;PHEGEZXONYFOKV-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339377;MM339377;C=C1C=CC(C=O)(OC)C1;ROLMMUNMEPMFSW-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339378;MM339378;NCC(=CC(F)=CF)CN;BVAOKTWGHVWDAH-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339379;MM339379;C=C1C=CC(C#N)(OC)C1;SFCUOTJTVAKCFH-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339380;MM339380;CC=C(F)C=C(CN)CO;CBAOMNLGWMZVNY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339381;MM339381;C=CC1(OC)C=CC(=O)C1;NFRBMTXJSDXZSM-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339382;MM339382;NCC(=CC(F)=CF)CO;CZOLUVZXCZABRD-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339383;MM339383;COC1(C#N)C=CC(=O)C1;LRTSIEACLCMAJN-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339384;MM339384;NCC(=CC(F)=CF)CF;MYWGUYZFNGVQLU-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339385;MM339385;C=CC1(CC)C=CC(=N)N1;HITPTBSBXXESSE-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339386;MM339386;CC=C(F)C=C(CO)CF;DQPIJXIHEYZSBO-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339387;MM339387;CCC1(C=O)C=CC(N)=N1;RXZKAEVQUWUCNX-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339388;MM339388;OCC(=CC(F)=CF)CF;PSCUSSOZBMLEIU-UHFFFAOYSA-N;152.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339389;MM339389;CCC1(C#N)C=CC(=N)N1;CSKHYPLGODFWNM-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339390;MM339390;CCC(=CC(C)=NN)CC;SIDYNMJDLAGDKZ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339391;MM339391;C=CC1(CN)C=CC(=N)N1;WRMOOFHKPWNFMV-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339392;MM339392;C=Cc1ccc(NC)[nH]1;OPFSNTTZHLUVBL-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339393;MM339393;C=CC1(CC)C=CC(=O)N1;NQVISSNZXJTFGX-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339394;MM339394;CCC(=CC(C)=NO)CO;IUKYHTJYHZIOIX-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339395;MM339395;CCC1(C=O)C=CC(=O)N1;QLGQXBXEANQTLL-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339396;MM339396;CCC(=CC(C)=NN)CF;WJWKAVNMIWVEGK-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339397;MM339397;CCC1(C#N)C=CC(=O)N1;FFHPNDSCFZFERY-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339398;MM339398;CC(C=C(CO)CO)=NO;DFFDWELLWUXMCY-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339399;MM339399;C=CC1(CN)C=CC(=O)N1;LIRAVRZYYJTGMB-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339400;MM339400;CC(C=C(CO)CF)=NO;YYNHNLMLMPNYPM-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339401;MM339401;C=CC1(CO)C=CC(=O)N1;COODRXRWQFZZNB-UHFFFAOYSA-N;139.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339402;MM339402;CCC(C=C(C)NO)=NC;FNHDMPSRUSKYPA-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339403;MM339403;N#CC1(CO)C=CC(=O)N1;UEQAWKFBGHWMNK-UHFFFAOYSA-N;138.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339404;MM339404;CN=C(C=C(C)NN)CO;BYPHAFYWXMJVNT-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339405;MM339405;C=CC1(CC)C=CC(=C)O1;HIJZAPKSIRYVNU-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339406;MM339406;CC=C(C)C=C(CC)OC;HEHOHCYPPRPPPY-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339407;MM339407;C=C1C=CC(C=O)(CC)O1;PCEHCDZTUYIXNN-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339408;MM339408;CCC(=CC(C)=CF)OC;WBAINDWVDBPDHQ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339409;MM339409;C=C1C=CC(C#N)(CC)O1;ZOYLELHNCDWZSP-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339410;MM339410;CC=C(C)C=C(CN)OC;FZVKJSNSESYCAL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339411;MM339411;C=CC1(CN)C=CC(=C)O1;GQZYXGPGEDMMBP-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339412;MM339412;C=CC1(CO)C=CC(=C)O1;BBGCSFAOMIDLFV-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339413;MM339413;CC=C(F)C=C(CC)OC;JMSRMLIYQSMNMO-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339414;MM339414;C=C1C=CC(C#N)(CO)O1;FPBDHKUWOFIRHQ-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339415;MM339415;CC=C(F)C=C(CN)OC;ARFFXPLZLYNEOM-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339416;MM339416;C=CC1(CC)C=CC(=O)O1;AWJOGAWVFQYHFC-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339417;MM339417;COC(=CC(F)=CF)CN;IRDPNUMFLPWVQZ-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339418;MM339418;CCC1(C=O)C=CC(=O)O1;JZFJXSRXYCNVGV-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339419;MM339419;CC=C(F)C=C(CO)OC;SKKOXLYVBUUQQB-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339420;MM339420;CCC1(C#N)C=CC(=O)O1;NMLXPRRGTWIEEE-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339421;MM339421;COC(=CC(F)=CF)CO;XXKFPCFHAODAPS-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339422;MM339422;C=CC1(CN)C=CC(=O)O1;ISPIOJLXARVWHZ-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339423;MM339423;CCC(=CC(C)=NO)OC;GDFVGMGHLRGFOE-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339424;MM339424;C=CC1(CO)C=CC(=O)O1;WQSKIEMHMKJUQH-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339425;MM339425;COC(=CC(C)=NO)CN;IDVGWNHXNCJQDK-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339426;MM339426;N#CC1(CO)C=CC(=O)O1;RMDLIUVVNQHQEU-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339427;MM339427;COC(=CC(C)=NN)CF;VFZZLJMUZYBYRQ-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339428;MM339428;C=CC1(OC)C=CC(=C)O1;XZAWOQFQVQHFJI-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339429;MM339429;CN=C(C=C(C)NO)NC;XCGXZYWFVMSDBF-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339430;MM339430;C=C1C=CC(C#N)(OC)O1;SHLQCLSZZWYNLB-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339431;MM339431;CNC(=NC(C)=NN)NN;YJRHPZYOJKBNNA-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339432;MM339432;C=CC1(OC)C=CC(=O)O1;DDVYWGLKQNUNGP-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339433;MM339433;CNC(=NC(C)=NN)NO;KLZGWPCLKOMKPG-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339434;MM339434;COC1(C#N)C=CC(=O)O1;INUTXZFXFXRRRB-UHFFFAOYSA-N;139.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339435;MM339435;CN=C(C)N=C(NN)NN;RQAXYLWJBZLGBY-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339436;MM339436;C#CC1(CC)C=CC(=C)C1;CPVYQERDMRKXMA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339437;MM339437;CC(=NN)N=C(NN)NN;MNMWBMGAFNNJAQ-UHFFFAOYSA-N;145.17;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339438;MM339438;C#CC1(CN)C=CC(=C)C1;NOWPZLJTIMXNTK-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339439;MM339439;CN=C(C)N=C(NN)NO;DOJGTCVODZVZMB-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339440;MM339440;CC(C)C1CC(O)C1;SKKCZMZCVUZWCT-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339441;MM339441;CCC#CC1CC1CO;ZFEHBZWQDWCCER-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339442;MM339442;C#CC1(CC)C=CC(=O)C1;PHIZLVMDKSRBPY-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339443;MM339443;CC=CC(C)(C)CC(N)=O;ZNWKCLZCQKXCGC-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339444;MM339444;C#CC1(CO)C=CC(=O)C1;GNOMINHCDFKRNK-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339445;MM339445;C=CC(=CC(C)=CC)CC;MTBJJDXJRCPJTD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339446;MM339446;C#CC1(NC)C=CC(=C)C1;VZXVCGGCCWMPEY-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339447;MM339447;C#CC1(OC)C=CC(=C)C1;BTJAVKAHXKPGKZ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339448;MM339448;C=CC(=CC(C)=CF)CC;OPTPMRRYYSCZHD-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339449;MM339449;C#CC1(OC)C=CC(=O)C1;PZDYVDIKQJJATK-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339450;MM339450;CC=C(C)C=C(C=O)CC;SXIGDXCHLCGCDD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339451;MM339451;C#CC1(CC)C=CC(=N)N1;GEEABGOFHGEWRW-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339452;MM339452;CC=C(C)C=C(C#N)CC;AYPFGUBQAQYISW-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339453;MM339453;C#CC1(CN)C=CC(=N)N1;AYVSEVZNYLPNCN-UHFFFAOYSA-N;135.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339454;MM339454;CCC(C#N)=CC(C)=CF;BFYXVBBEDNTWLK-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339455;MM339455;C#CC1(CO)C=CC(=N)N1;VZXOELZVHDWMCD-UHFFFAOYSA-N;136.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339456;MM339456;C=CC(=CC(C)=CC)CN;DJRRNRVETTUFEZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339457;MM339457;C#CC1(CC)C=CC(=O)N1;ZZKMALNCMBFQPK-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339458;MM339458;C=CC(=CC(C)=CF)CN;AIKKWBFAIHQSEH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339459;MM339459;C#CC1(CN)C=CC(=O)N1;CCERXUMIMVYQNQ-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339460;MM339460;CC(C)CC(C)(C)C(N)=O;MLJGJWCRMJDCFV-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339461;MM339461;C#CC1(CO)C=CC(=O)N1;SWKYGGSZZWSNTN-UHFFFAOYSA-N;137.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339462;MM339462;C=C(C)C(C)(C)CC(N)=O;RQHDTKYWJVSOJD-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339463;MM339463;CC=C(C)C=C(C=O)CO;RNUUPNVAOMBEAS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339464;MM339464;C#CC1(CC)C=CC(=C)O1;LHOIAJNTXBUZGS-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339465;MM339465;C=CC(=CC(C)=CC)CF;VMELSQUVHDDBRG-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339466;MM339466;C#CC1(CN)C=CC(=C)O1;KKWMZCKYXAEOKK-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339467;MM339467;C=CC(=CC(C)=CF)CF;DUVYCCOZUXABIB-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339468;MM339468;C#CC1(CO)C=CC(=C)O1;SQZBNQHHZULVJN-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339469;MM339469;CC=C(C)C=C(C=O)CF;OGIVNCRYMFMKQF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339470;MM339470;C#CC1(CC)C=CC(=O)O1;JLVABLDMCZCGGN-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339471;MM339471;CC=C(C)C=C(C#N)CF;AEOIJOGFINFSOB-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339472;MM339472;C#CC1(CN)C=CC(=O)O1;NJMAWUZXRQKGQS-UHFFFAOYSA-N;137.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339473;MM339473;CC(=CF)C=C(C#N)CF;WAFLNMLYBUKTMM-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339474;MM339474;C#CC1(CO)C=CC(=O)O1;OWRLOTMNZUFXJL-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339475;MM339475;C=CC(=CC(F)=CC)CC;JNTGUOOUIXNWDU-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339476;MM339476;C#CC1(OC)C=CC(=C)O1;NOSGRWZCNXNHAA-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339477;MM339477;C=CC(=CC(F)=CF)CC;ZCZUSAPXEJOXJQ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339478;MM339478;C#CC1(OC)C=CC(=O)O1;JRQMRROREYXLTO-UHFFFAOYSA-N;138.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339479;MM339479;CC=C(F)C=C(C=O)CC;FSIJXAALVYUMMV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339480;MM339480;C=CC1(C=C)C=CC(=C)C1;AUIBRLBGUNFBRP-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339481;MM339481;CC=C(F)C=C(C#N)CC;AJOZQFSWOQOVEU-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339482;MM339482;C=CC1(C=O)C=CC(=C)C1;GDPIQIRCTZHOEL-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339483;MM339483;CCC(C#N)=CC(F)=CF;AOMGWXPKQDTIKX-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339484;MM339484;C=CC1(C#N)C=CC(=C)C1;OGXUHXATRPUTJT-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339485;MM339485;C=CC(=CC(F)=CC)CN;OPTHCVLGDWOIED-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339486;MM339486;C=C1C=CC(C=O)(C=O)C1;OLJTTYSQAYCFQU-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339487;MM339487;C=CC(=CC(F)=CF)CN;KUWUPYZHRTVCHR-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339488;MM339488;C=C1C=CC(C#N)(C=O)C1;CRKFBMAVCRHRPL-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339489;MM339489;C=CC(=CC(F)=CC)CO;SXORZZHUJOBSST-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339490;MM339490;C=C1C=CC(C#N)(C#N)C1;VIWQCYNPRCNRHC-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339491;MM339491;C=CC(=CC(F)=CF)CO;BFCLQAGQXHQLAQ-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339492;MM339492;C=CC1(C=C)C=CC(=O)C1;WXIILSOXLWEZTF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339493;MM339493;CC=C(F)C=C(C=O)CO;CPKZSKQIXMJRBR-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339494;MM339494;C=CC1(C=O)C=CC(=O)C1;ULIOYFWPVQDANZ-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339495;MM339495;O=CC(=CC(F)=CF)CO;DWCPVSBJRKGJTR-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339496;MM339496;C=CC1(C#N)C=CC(=O)C1;PRWBBWDPCMASTL-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339497;MM339497;N#CC(=CC(F)=CF)CO;OGEFOMFEXJIVHT-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339498;MM339498;O=CC1(C=O)C=CC(=O)C1;AHEDQVIHFZMXBF-UHFFFAOYSA-N;138.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339499;MM339499;C=CC(=CC(F)=CC)CF;OKSDSZFEBPTITE-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339500;MM339500;N#CC1(C=O)C=CC(=O)C1;SEGZKSLYQOHQOZ-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339501;MM339501;O=CC(=CC(F)=CF)CF;IBRGKAZPQBAIMS-UHFFFAOYSA-N;150.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339502;MM339502;N#CC1(C#N)C=CC(=O)C1;XPRSAUZGBXBNBX-UHFFFAOYSA-N;132.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339503;MM339503;C=CC(=CC(C)=NN)CC;IJWAHJNBVSITFU-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339504;MM339504;C=CC1(C=C)C=CC(=N)N1;KQNRQPXKBMQYGE-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339505;MM339505;C=CC(C)(CC)CC(N)=O;OJXTUJXACWTZDZ-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339506;MM339506;C=CC1(C=O)C=CC(=N)N1;WEKFQOLMIIJAGG-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339507;MM339507;CCC(C#N)=CC(C)=NO;FSGTTWPUOVIMEE-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339508;MM339508;CC=CCC1CC1O;PWBRLNHLQJRLBA-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339509;MM339509;CC(C)(O)C=CC#CC#N;CNUYDLDLQRPTON-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339510;MM339510;C=CC1(C=C)C=CC(=O)N1;FNZVRFZAHKBJSV-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339511;MM339511;CC(C=C(C#N)CO)=NO;ROBGLCDKHOISSM-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339512;MM339512;C=CC1(C=O)C=CC(=O)N1;VLUVSBVLPIEGCP-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339513;MM339513;C=CC(=CC(C)=NN)CF;BQNIYUBPWXERAI-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339514;MM339514;C=CC1(C#N)C=CC(=O)N1;PCXMLGYQFNYJQF-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339515;MM339515;C=CC(=CC(C)=NO)CF;JBETYWXTRSKIHD-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339516;MM339516;O=CC1(C=O)C=CC(=O)N1;LXNLXPVXRRMBDV-UHFFFAOYSA-N;139.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339517;MM339517;C=CC(=CC(C)=CC)OC;PJOPWGNUPJKURH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339518;MM339518;N#CC1(C=O)C=CC(=O)N1;FOWOCSGDWJGBSP-UHFFFAOYSA-N;136.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339519;MM339519;CC=C(C)C=C(C=O)OC;OMYADTUIUVUSDW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339520;MM339520;N#CC1(C#N)C=CC(=O)N1;VQBQOUIUDPHPPP-UHFFFAOYSA-N;133.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339521;MM339521;CC=C(C)C=C(C#N)OC;ABVKRGXMLOQSTR-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339522;MM339522;C=CC1(C=C)C=CC(=C)O1;ZHXYFQQLCKUGMZ-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339523;MM339523;COC(C#N)=CC(C)=CF;IBUITSMUGOEUBW-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339524;MM339524;C=CC1(C=O)C=CC(=C)O1;ZLLVRCMLPPEXBV-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339525;MM339525;C=CC(=CC(F)=CC)OC;HDMWNVKBBOJBNE-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339526;MM339526;C=CC1(C#N)C=CC(=C)O1;MIJVADDRHYXTAC-UHFFFAOYSA-N;133.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339527;MM339527;CC=C(F)C=C(C=O)OC;QMMRRWKLVFILHI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339528;MM339528;C=C1C=CC(C#N)(C=O)O1;CNJIHURTTGWZTP-UHFFFAOYSA-N;135.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339529;MM339529;CC=C(F)C=C(C#N)OC;BMDYOOPORMDTHM-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339530;MM339530;C=C1C=CC(C#N)(C#N)O1;IONANQMHKBDVNG-UHFFFAOYSA-N;132.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339531;MM339531;COC(C=O)=CC(F)=CF;UHZNRHIVTIFVIW-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339532;MM339532;C=CC1(C=C)C=CC(=O)O1;HXOGCRRSVSRESS-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339533;MM339533;COC(C#N)=CC(F)=CF;RORUIPWVKSSELA-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339534;MM339534;C=CC1(C=O)C=CC(=O)O1;GBEXCTJNRFFSDO-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339535;MM339535;C=CC(=CC(C)=NN)OC;YWQUPDAVHSZLNO-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339536;MM339536;C=CC1(C#N)C=CC(=O)O1;KVGPPPDBWFKABJ-UHFFFAOYSA-N;135.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339537;MM339537;C=CC(=CC(C)=NO)OC;IFWNRPJWUQJVCU-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339538;MM339538;N#CC1(C=O)C=CC(=O)O1;OJMRLYQKXQUKFU-UHFFFAOYSA-N;137.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339539;MM339539;C#CC(=CC(C)=CC)CC;SSKAHHUXYXRTAN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339540;MM339540;N#CC1(C#N)C=CC(=O)O1;NVNCZUFIRKCLCX-UHFFFAOYSA-N;134.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339541;MM339541;C#CC(=CC(C)=CF)CC;GDRWRTGMEMUTAN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339542;MM339542;C#CC1(C=C)C=CC(=C)C1;CIFCGQFXQGSBPQ-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339543;MM339543;C#CC(=CC(C)=CC)CF;IFXZAMPUOHQMQV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339544;MM339544;C#CC(=CC(C)=CF)CF;CUEBPJYMPFSJMV-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339545;MM339545;C#CC1(C=O)C=CC(=C)C1;HMJCYAATOAPRME-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339546;MM339546;C#CC(=CC(F)=CC)CC;IKILDSKTPMWUFI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339547;MM339547;C#CC1(C#N)C=CC(=C)C1;JMZKOSMOKZCCJE-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339548;MM339548;C#CC(=CC(F)=CF)CC;APSPTYVUDVQDLN-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339549;MM339549;C#CC1(C=C)C=CC(=O)C1;REFKZXXUKUDARP-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339550;MM339550;C#CC(=CC(F)=CF)CF;QOFXBBJRYHNAMA-UHFFFAOYSA-N;146.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339551;MM339551;C#CC1(C=O)C=CC(=O)C1;HPUWRGBAFCQPJZ-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339552;MM339552;C#CC(=CC(C)=NN)CC;QLVMGKHHPMZOHG-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339553;MM339553;C#CC1(C#N)C=CC(=O)C1;YGWNZQLQVMCYES-UHFFFAOYSA-N;131.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339554;MM339554;C#CC(=CC(C)=NO)CC;HUFPQMJRVOHDRX-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339555;MM339555;C#CC1(C=C)C=CC(=N)N1;LNMVGTDFGFCZKJ-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339556;MM339556;C#CC(=CC(C)=NO)CF;WTFRSTPXDJUGDS-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339557;MM339557;C#CC1(C=C)C=CC(=O)N1;LUKFROMGTHCVBW-UHFFFAOYSA-N;133.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339558;MM339558;C#CC(C=C(C)NN)=NC;LCOCZHUWMPWJHV-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339559;MM339559;C#CC1(C=O)C=CC(=O)N1;FFLFKUUFXMJVTD-UHFFFAOYSA-N;135.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339560;MM339560;C#CC(C=C(C)NO)=NC;WKIFKALSJJEVGM-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339561;MM339561;C#CC1(C#N)C=CC(=O)N1;KZPJJALZEDUMSG-UHFFFAOYSA-N;132.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339562;MM339562;C#CC(=CC(C)=CC)OC;YHUJALUZUJVRHR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339563;MM339563;C#CC1(C=C)C=CC(=C)O1;HJFCUHDVGYRCFU-UHFFFAOYSA-N;132.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339564;MM339564;C#CC(=CC(C)=CF)OC;LHOUHKYBEDPVGC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339565;MM339565;C#CC1(C=O)C=CC(=C)O1;LEJVKFSBFCLQSF-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339566;MM339566;C#CC(=CC(F)=CC)OC;QXTHVWMABGCCAP-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339567;MM339567;C#CC1(C#N)C=CC(=C)O1;FCSGJYBPZUHXAS-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339568;MM339568;C#CC(=CC(F)=CF)OC;KUBHAAJUANPFDZ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339569;MM339569;C#CC1(C=C)C=CC(=O)O1;CXWFSEUOAQPCBR-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339570;MM339570;C#CC(=CC(C)=NN)OC;ZTUDMEZRQHASPF-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339571;MM339571;C#CC(=CC(C)=NO)OC;BPFGDWJKULQEFY-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339572;MM339572;C#CC1(C=O)C=CC(=O)O1;JJVWQBKBGKQKBV-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339573;MM339573;C=CC(C=C)=CC(C)=CC;XSMGRZVAKUHQBF-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339574;MM339574;C#CC1(C#N)C=CC(=O)O1;QISNVUVHFUCUNP-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339575;MM339575;C=CC(C=O)=CC(C)=CC;NXVMDXIRMYKVEU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339576;MM339576;C#CC1(C#C)C=CC(=C)C1;QDHPAAHYWCWQQJ-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339577;MM339577;C=CC(C#N)=CC(C)=CC;YQBZBSRWBFACGQ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339578;MM339578;C#CC1(C#C)C=CC(=O)C1;OWKDULPDNWKUDF-UHFFFAOYSA-N;130.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339579;MM339579;C=CC(C#N)=CC(C)=CF;RVFJRUVCBJIVJL-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339580;MM339580;C#CC1(C#C)C=CC(=O)N1;YFFZXTXTRGDGKT-UHFFFAOYSA-N;131.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339581;MM339581;CC=C(C)C=C(C=O)C=O;YHEOCGLTPBKKLW-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339582;MM339582;C#CC1(C#C)C=CC(=C)O1;QJXLWCHKIGPHDF-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339583;MM339583;CC=C(C)C=C(C#N)C#N;QTANCRADKOMOJJ-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339584;MM339584;C#CC1(C#C)C=CC(=O)O1;RAZVLNXCEIKUGM-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339585;MM339585;C=CC(C=C)=CC(F)=CC;IEGPZKFLRFDSNS-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339586;MM339586;CCC1(CC)CC=C(C)C1;IJBTUCIBEFJSLF-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339587;MM339587;C=CC(C=C)=CC(F)=CF;QCAGUVLHYFVCQR-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339588;MM339588;CCC1(CN)CC=C(C)C1;CGYWBRBPEPRLFO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339589;MM339589;C=CC(C#N)=CC(F)=CC;CEHPHHLJOCGYOR-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339590;MM339590;OC1CC1CC=CF;LXYHMKKISKZZKW-UHFFFAOYSA-N;116.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339591;MM339591;C=CC(C#N)=CC(F)=CF;JBHOUBRZBPQLRY-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339592;MM339592;CC1=CCC(CN)(CN)C1;DRBCWZUYDGIPPR-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339593;MM339593;CC=C(F)C=C(C=O)C=O;LIICXUJWBYHSEZ-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339594;MM339594;CCC1(CC)CC=C(F)C1;BKOVEPICEPDHPS-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339595;MM339595;CC=C(F)C=C(C#N)C=O;GWPOQOQQPJJXRH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339596;MM339596;CCC1(CN)CC=C(F)C1;XSSRPRIIMXUPQK-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339597;MM339597;CC=C(F)C=C(C#N)C#N;WTAGDZWIBDKKHO-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339598;MM339598;O=CC(C=O)=CC(F)=CF;WRXVLYOQQNSMAJ-UHFFFAOYSA-N;146.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339599;MM339599;CCC1(CO)CC=C(F)C1;ZMGRHYPKDRNGCO-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339600;MM339600;N#CC(C#N)=CC(F)=CF;UMTFNTPQGNDNAJ-UHFFFAOYSA-N;140.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339601;MM339601;CCC1(CF)CC=C(F)C1;CZHMIKKACVGGLY-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339602;MM339602;C=CC(C=C)=CC(C)=NN;YDTATGVMSODIBV-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339603;MM339603;NCC1(CN)CC=C(F)C1;MDYYQHGCMSNQIM-UHFFFAOYSA-N;144.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339604;MM339604;CCCCC(C)(C)C(N)=O;BNZQGRBBUHRDHJ-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339605;MM339605;CCC1(NC)CC=C(C)C1;ZDBNBRDJCGLKRH-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339606;MM339606;C=CC(C#N)=CC(C)=NO;WGCAOXHEBNKYMN-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339607;MM339607;CNC1(CN)CC=C(C)C1;YHKWCHKZUDHWKT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339608;MM339608;CC(C=C(C#N)C=O)=NO;FJSMELNDALFEMY-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339609;MM339609;CCC1(NC)CC=C(F)C1;YYOXWHQPDFCTLZ-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339610;MM339610;C#CC(C=C)=CC(C)=CC;KNPWDNAZZQRQDP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339611;MM339611;CNC1(CN)CC=C(F)C1;CFQJOKMHBDLCJN-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339612;MM339612;C#CC(C=C)=CC(C)=CF;KXDKGHBTVBVRGH-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339613;MM339613;CCC1(OC)CC=C(C)C1;MHZVSNJLYDKJSV-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339614;MM339614;C#CC(C=O)=CC(C)=CC;LHGMMTRXIOWNDB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339615;MM339615;CCC1(OC)CC=C(F)C1;VEKKAHVXLOEXSW-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339616;MM339616;C#CC(C#N)=CC(C)=CC;IZEMKVQMFSQKNA-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339617;MM339617;CCC1(CC)CC(C)=NN1;IECFFJNBIZRNKD-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339618;MM339618;C#CC(C=O)=CC(C)=CF;FKMYGZODKBFOST-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339619;MM339619;CCC1(CN)CC(C)=NN1;HPDGOFXSDGPUHI-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339620;MM339620;C#CC(C=C)=CC(F)=CC;ZIPQVKNCADYRDC-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339621;MM339621;CCC1(CN)CC(C)=CO1;GKYHZYAFEFGOET-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339622;MM339622;C#CC(C=C)=CC(F)=CF;UADOIHPCGWQZMQ-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339623;MM339623;NCC1(CN)CC(F)=CO1;ABJUZPYTLBFUMK-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339624;MM339624;C#CC(C=O)=CC(F)=CC;FMJIRRFFGKPEJS-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339625;MM339625;CCC1(OC)CC(C)=CO1;NAPSSGWNUYAYLP-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339626;MM339626;C#CC(C#N)=CC(F)=CC;CKYJGZJWOPMPBY-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339627;MM339627;CCC1(CC)CC(C)=NO1;HJPBPCHXUXNOEE-UHFFFAOYSA-N;141.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339628;MM339628;C#CC(C=O)=CC(F)=CF;XDTMVCKKLBKNPO-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339629;MM339629;CCC1(CC)CN=C(C)N1;UVXGERCSIWKWKH-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339630;MM339630;C#CC(C#N)=CC(F)=CF;GKLWQYGNWSGMPG-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339631;MM339631;CCC1(CN)CN=C(C)N1;KPCSVMXUNKDTCD-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339632;MM339632;C#CC(C=C)=CC(C)=NO;NQJBUFKDUYYHPY-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339633;MM339633;CC1=NCC(CN)(CN)N1;GUZZSUHBEIICEI-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339634;MM339634;C#CC(C#N)=CC(C)=NO;BDWAWMNTQXNYFC-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339635;MM339635;C#CC(C#C)=CC(C)=CC;CECRSALGJOGNRU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339636;MM339636;CCC1(CC)CC=C(C)O1;DSEGUJBEPJMFFB-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339637;MM339637;C#CC(C#C)=CC(C)=CF;YCMOQWPPSVNSGG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339638;MM339638;CCC1(CN)CC=C(C)O1;VDSTXHARZPNGJL-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339639;MM339639;C#CC(C#C)=CC(F)=CC;WUDBYXZSKJHIOA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339640;MM339640;CC1=CCC(CN)(CN)O1;DJGDOKNMKXSCGG-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339641;MM339641;C#CC(C#C)=CC(F)=CF;ATEPGZMZOPLPKD-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339642;MM339642;CCC1(OC)CC=C(C)O1;ZIPRPOWTWJAGOC-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339643;MM339643;C#CC(C#C)=CC(C)=NN;XGEIVYMICZZHDB-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339644;MM339644;C=CC1(CC)CC=C(C)C1;UFCZXMGAGMQHEB-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339645;MM339645;C#CC(C#C)=CC(C)=NO;NNDNUGMAELKWPF-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339646;MM339646;CCC1(C=O)CC=C(C)C1;QHERNIJKPJQYHN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339647;MM339647;CCC(CC)CCC(C)C;DGEMPTLPTFNEHJ-UHFFFAOYSA-N;142.29;3.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339648;MM339648;CCC1(C#N)CC=C(C)C1;HUOMFNFDHYVONT-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339649;MM339649;CCC(CN)CCC(C)C;UAASEBRBJOTHIH-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339650;MM339650;C=CC1(CN)CC=C(C)C1;QAFMFYJEJUNTKD-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339651;MM339651;C=C(CC(C)C#N)C(C)O;XAVRKNUJXBKBTF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339652;MM339652;CC1=CCC(C#N)(CO)C1;QDJPDDGRJAKKMF-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339653;MM339653;CCC(CF)CCC(C)C;DFBNPTDTHYFYGG-UHFFFAOYSA-N;146.25;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339654;MM339654;C=CC1(CC)CC=C(F)C1;DWRHDVVFWVJCGR-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339655;MM339655;CC(C)CCC(CN)CN;MLCACRBERROJEW-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339656;MM339656;CCC1(C=O)CC=C(F)C1;XHYCSHDDKBHXRH-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339657;MM339657;CC(C)CCC(CN)CO;JLKSUZYNONKJOU-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339658;MM339658;CCC1(C#N)CC=C(F)C1;RHWHUAWVPQRGDB-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339659;MM339659;CC(C)CCC(CN)CF;QYKJLLWQIRCUQW-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339660;MM339660;C=CC1(CN)CC=C(F)C1;CONHYXOJCNZBAK-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339661;MM339661;CC(C)CCC(CO)CO;VWQPAMYYOLDISD-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339662;MM339662;C=CC1(CO)CC=C(F)C1;XGXALJCVGHNNAF-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339663;MM339663;CC(C)CCC(CO)CF;QTKJNEHAFHVIAS-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339664;MM339664;C=CC1(NC)CC=C(C)C1;KYIKFRNOBGZOQM-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339665;MM339665;CCC(CC)CCC(C)N;JOFJCWYQWJSJRM-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339666;MM339666;CNC1(C#N)CC=C(C)C1;BUKVAXWQNBRXBV-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339667;MM339667;CCC(CN)CCC(C)N;LXUBCVNTINLKRZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339668;MM339668;C=CC1(NC)CC=C(F)C1;BUVGXKBATKSITK-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339669;MM339669;CCC(CO)CCC(C)N;PAGOSDATMZEGTP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339670;MM339670;CNC1(C#N)CC=C(F)C1;RJLLOMNXPXFGQU-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339671;MM339671;CC(N)CCC(CN)CO;SONZYRHBSKTJQV-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339672;MM339672;C=CC1(OC)CC=C(C)C1;WRPIVDNOAAOOFJ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339673;MM339673;CC(N)CCC(CO)CO;WMHPJDTURLSDLH-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339674;MM339674;COC1(C=O)CC=C(C)C1;USBQEOQPUGDNRK-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339675;MM339675;CC(N)CCC(CO)CF;BBYILCQZOYCRSO-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339676;MM339676;COC1(C#N)CC=C(C)C1;PPVAUMSXXFYLMQ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339677;MM339677;CC1(C#N)CC(CC=O)N1;LXOXAWCGNYSIJE-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339678;MM339678;C=CC1(OC)CC=C(F)C1;ROURJPLWKSYSNS-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339679;MM339679;CCC(CN)CCC(C)O;BCUZVIZMVYUSCH-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339680;MM339680;COC1(C#N)CC=C(F)C1;MQUQFUBUVJOIOO-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339681;MM339681;C=CCC(=CC(=C)C)CO;DKNFUWXQRLZCGY-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339682;MM339682;C=CC1(CC)CC(C)=NN1;BOYAGBVGXWUHOV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339683;MM339683;CC(O)CCC(CN)CN;XWPCWADBDFNZSW-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339684;MM339684;CCC1(C=O)CC(C)=NN1;BDPGJOZFMUUQEM-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339685;MM339685;CC(O)CCC(CN)CO;CAQCMQMWPBPTKN-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339686;MM339686;CNC(C)(C#N)C(C)=O;SPLJPCUCVLUSCF-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339687;MM339687;CC(O)CCC(CO)CO;RQXWVLWSKSIXND-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339688;MM339688;C=CC1(CN)CC(C)=NN1;DHUNPBWIDRFZKY-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339689;MM339689;CCC(CC)CCC(C)F;NSMOWXLXKDCTNZ-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339690;MM339690;CC(C#N)=CCC(C)O;SXGADJUGFQVMCM-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339691;MM339691;CCC(CN)CCC(C)F;IXCZUUHRBWDTAJ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339692;MM339692;CC(C)ON=COCC=O;KIZPKWOQAZMHRF-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339693;MM339693;C=CC1(CC)CC(C)=CO1;BCSMHJJGNRHZOW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339694;MM339694;CC(F)CCC(CO)CF;WPHZZTJXAIQSDO-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339695;MM339695;CCC1(C=O)CC(C)=CO1;IYWJERLAJVZRKT-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339696;MM339696;CCC(CC)CCC(F)F;CJEOUXJXHBEYKN-UHFFFAOYSA-N;150.21;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339697;MM339697;CCC1(C#N)CC(C)=CO1;BYTMEWMNSLYOJT-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339698;MM339698;CCC(CN)CCC(F)F;DBGKMHMIYZAYLV-UHFFFAOYSA-N;151.2;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339699;MM339699;C=CC1(CN)CC(C)=CO1;KPEKGLISZYPBAH-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339700;MM339700;NCC(CN)CCC(F)F;QDPPFZVPDHXAHY-UHFFFAOYSA-N;152.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339701;MM339701;C=CC1(CO)CC(C)=CO1;WMEKVIDPZCDHLM-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339702;MM339702;OCC(CF)CCC(F)F;KIDXJHSPYDRKPC-UHFFFAOYSA-N;156.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339703;MM339703;C=CC1(CC)CC(F)=CO1;TVLLXGJSPNOCQI-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339704;MM339704;FCC(CF)CCC(F)F;PCGRZXALGCLHPI-UHFFFAOYSA-N;158.14;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339705;MM339705;CCC1(C=O)CC(F)=CO1;CPLZJIAVPAVANM-UHFFFAOYSA-N;144.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339706;MM339706;CCC(CCC(C)C)NC;ACGAOFSYLLEMNC-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339707;MM339707;N#CC1(CO)CC(F)=CO1;LZTQVSBQWSXRQI-UHFFFAOYSA-N;143.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339708;MM339708;CNC(CO)CCC(C)C;RESJPHJIIYVKHY-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339709;MM339709;C=CC1(OC)CC(C)=CO1;LBNIFAHOXLSJIA-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339710;MM339710;CCC(CCC(C)N)NC;GZVSXBOQNRBFJG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339711;MM339711;COC1(C#N)CC(C)=CO1;HYBXXIGFIHCYPY-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339712;MM339712;CNC(CO)CCC(C)N;NNMURZUPIIDXII-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339713;MM339713;C=CC1(OC)CC(F)=CO1;MCYOKQACRJTHCB-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339714;MM339714;CNC(CO)CCC(C)O;MVIFOKMBOKIBSL-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339715;MM339715;C=CC1(CC)CC(C)=NO1;ZIDGWJOAHAAXND-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339716;MM339716;CCC(CCC(F)F)NC;RVUJXEXJDYQJGO-UHFFFAOYSA-N;151.2;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339717;MM339717;CCC1(C=O)CC(C)=NO1;HQWLHTLIIZPSKU-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339718;MM339718;CNC(CN)CCC(F)F;IPJIXMKKXONDAA-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339719;MM339719;CCC1(C#N)CC(C)=NO1;KULYWPXNQMYGJC-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339720;MM339720;CCC(CCC(C)C)OC;GUHYEYAJERBSFJ-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339721;MM339721;C=CC1(CN)CC(C)=NO1;DCJXGEDOUUKQKE-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339722;MM339722;COC(CO)CCC(C)C;CUWXOTOHTIDNJH-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339723;MM339723;C=CC1(CC)CN=C(C)N1;QTSINNNSMJPMCY-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339724;MM339724;COC(CF)CCC(C)C;BJAGMNXUXCUMPN-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339725;MM339725;CCC1(C=O)CN=C(C)N1;UKOGLJHOHRVMED-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339726;MM339726;CCC(CCC(C)N)OC;ZPCPKWMLRZGHCN-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339727;MM339727;C=CC1(CN)CNC(C)=N1;DIPSWMKHBNKZIT-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339728;MM339728;COC(CN)CCC(C)N;YRXZKQXWZHNBBI-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339729;MM339729;C=CC1(CO)CN=C(C)N1;WEYMEKWKWBXTIF-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339730;MM339730;COC(CO)CCC(C)N;BQFMZVIYHHJVJK-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339731;MM339731;C=CC1(CC)CC=C(C)O1;ZRQKDTRIASSWIY-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339732;MM339732;COC(CF)CCC(C)N;YDYLGLNICKSMPP-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339733;MM339733;CCC1(C=O)CC=C(C)O1;RYZWWTRGEWMBTH-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339734;MM339734;COC(CN)CCC(C)O;VYULJGWLIHNEOU-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339735;MM339735;CCC1(C#N)CC=C(C)O1;TWDFKNHRTCNEFC-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339736;MM339736;COC(CO)CCC(C)O;VQRKBPSWFGDRRY-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339737;MM339737;C=CC1(CN)CC=C(C)O1;VHWWSJCFGSODCZ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339738;MM339738;COC(CF)CCC(C)O;FUNPSXCLBZKTSE-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339739;MM339739;C=CC1(CO)CC=C(C)O1;QOTDYKGFOBYLFY-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339740;MM339740;CCC(CCC(C)F)OC;ZYOKNIPAGIGOBX-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339741;MM339741;CC1=CCC(C#N)(CO)O1;BQEUGPVFJAIARF-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339742;MM339742;COC(CF)CCC(C)F;JYVWXODKOPLMPH-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339743;MM339743;C=CC1(OC)CC=C(C)O1;VVXRBIOTTCCHCM-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339744;MM339744;COC(CO)CCC(F)F;YBFZXSLEWLKJFF-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339745;MM339745;COC1(C#N)CC=C(C)O1;CIPOGELIMQZLGG-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339746;MM339746;COC(CCC(F)F)OC;ZUBKOOKVYKAQBB-UHFFFAOYSA-N;154.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339747;MM339747;C=CC1(CC)OC=C(C)O1;HHYFNXKQGICPIF-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339748;MM339748;CCC(CC)CNC(C)C;NDBPWDGDGIBJOS-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339749;MM339749;CCC1(C#N)OC=C(C)O1;GHGGBEXAQCSCQH-UHFFFAOYSA-N;139.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339750;MM339750;CCC(CN)CNC(C)C;HBWYWIDUJMHDPQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339751;MM339751;C=CC1(CC)ON=C(C)O1;ZUMZEBRFYPZGPQ-UHFFFAOYSA-N;141.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339752;MM339752;CCC(CO)CNC(C)C;GFSKGWXMAFIAPX-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339753;MM339753;CCC1(C#N)ON=C(C)O1;NEAURYRJVSXAQR-UHFFFAOYSA-N;140.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339754;MM339754;CCC(CF)CNC(C)C;CEEFZWLZFVVFJU-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339755;MM339755;C#CC1(CC)CC=C(C)C1;SBYMWDYRCGCXFR-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339756;MM339756;CC(C)NCC(CN)CN;MCKWZXLLGZTIFS-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339757;MM339757;C#CC1(CN)CC=C(C)C1;GBTMBAJHWNPUKQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339758;MM339758;CC(C)NCC(CF)CF;XQLCNBIKPYQOKK-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339759;MM339759;CN1CCC(F)=CC1=O;DGOKPDJWKZQSEH-UHFFFAOYSA-N;129.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339760;MM339760;CCC(CNC(C)C)NC;LNDMDDRGVXGQNO-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339761;MM339761;C#CC1(CC)CC=C(F)C1;SAXLZXPSRBRSKH-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339762;MM339762;CCC(CNC(C)C)OC;BZVWWNOPNKQCCU-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339763;MM339763;C#CC1(CN)CC=C(F)C1;HPGJVGIFUMYCKS-UHFFFAOYSA-N;139.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339764;MM339764;COC(CN)CNC(C)C;SVAAFWAYRGNODG-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339765;MM339765;C#CC1(CO)CC=C(F)C1;YYUKTHZBQRFJPG-UHFFFAOYSA-N;140.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339766;MM339766;COC(CF)CNC(C)C;FTPYWOJXKRBUJV-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339767;MM339767;C#CC1(NC)CC=C(C)C1;NBNYBXZHLPARAD-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339768;MM339768;CCC(CC)COC(C)C;GPBNJFJYSIHPOE-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339769;MM339769;C#CC1(NC)CC=C(F)C1;ZYASBRCETYJNOX-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339770;MM339770;CCC(CN)COC(C)C;LWCYBNSECIVECK-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339771;MM339771;C#CC1(OC)CC=C(C)C1;MDESVJWWGJJOEW-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339772;MM339772;CCC(CO)COC(C)C;HCLJJZQYRVCTLT-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339773;MM339773;C#CC1(OC)CC=C(F)C1;PBWPWRDFOXVVII-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339774;MM339774;CCC(CF)COC(C)C;GFXWHKMUYKWLAL-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339775;MM339775;CC(C)=CCC1CC1O;CIIKPNBMPVWGEJ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339776;MM339776;CC(C)OCC(CO)CO;LMUPJAXQNHSKFQ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339777;MM339777;C#CC1(CN)CC(C)=NN1;IUFVEGACNSSULG-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339778;MM339778;CNC(CN)COC(C)C;AOWAXTPAHAWWIJ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339779;MM339779;CC1(C)CC1C1CC1O;GRWYIFYPZMLOSL-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339780;MM339780;COC(CN)COC(C)C;ZRUJTHQDIKEMEE-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339781;MM339781;C#CC1(CC)CC(C)=CO1;RPIVQAYYOOGNJD-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339782;MM339782;COC(COC(C)C)OC;BPSAPZBMWJQXDC-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339783;MM339783;C#CC1(CN)CC(C)=CO1;OUJVBAYWZVNKCG-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339784;MM339784;CCC(CC)NCC(C)C;SMLLWBRDZNXWLV-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339785;MM339785;C#CC1(CO)CC(C)=CO1;RSFWXIDCIMQQQF-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339786;MM339786;CCC(CN)NCC(C)C;FBILICPSRPWETC-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339787;MM339787;C#CC1(CC)CC(F)=CO1;KOWWYGIRQMIMRT-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339788;MM339788;CC(C)CNC(CN)CO;IWASKDRFTGZSSJ-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339789;MM339789;C#CC1(CN)CC(F)=CO1;HUWQQUCPFHVBIQ-UHFFFAOYSA-N;141.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339790;MM339790;CCC(CC)NCC(C)N;XKLHTQTUKDGWGF-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339791;MM339791;C#CC1(CO)CC(F)=CO1;MCUNTFSECMOHEJ-UHFFFAOYSA-N;142.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339792;MM339792;CCC(CF)NCC(C)N;JUIYLKQWWKNAAM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339793;MM339793;C#CC1(OC)CC(C)=CO1;AXLDJQLMVRQUIG-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339794;MM339794;CC(N)CNC(CN)CO;SWXQXUWXWZEHOQ-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339795;MM339795;C#CC1(OC)CC(F)=CO1;ZCZXRDKNIQOKQH-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339796;MM339796;CC(N)CNC(CO)CO;KBOFGJHWASIAHH-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339797;MM339797;C#CC1(CC)CC(C)=NO1;ZFGYXFLVKUSDBM-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339798;MM339798;CC(N)CNC(CO)CF;QKKCMRCZBDXDII-UHFFFAOYSA-N;150.2;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339799;MM339799;C#CC1(CN)CC(C)=NO1;KRSOGWUNPNTBSQ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339800;MM339800;CC(N)CNC(CF)CF;BXWHXOOYZHIVJX-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339801;MM339801;C#CC1(OC)CC(C)=NO1;LUOMJBFBDZBVDD-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339802;MM339802;CCC(CO)NCC(C)O;JOQNSXPBTQSHLJ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339803;MM339803;C#CC1(CC)CC=C(C)O1;ITCFYHIQEDIBHC-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339804;MM339804;CC(O)CNC(CN)CO;SLQXEDHUQUCEIB-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339805;MM339805;C#CC1(CN)CC=C(C)O1;YYTPYYKWRLUEDU-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339806;MM339806;CC(O)CNC(CO)CO;QGNFPESTPDWYMD-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339807;MM339807;C#CC1(CO)CC=C(C)O1;HZMDSESDLSMKKG-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339808;MM339808;CCC(CC)NCC(C)F;YBLMEHWFTGSPRO-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339809;MM339809;C#CC1(OC)CC=C(C)O1;FZEDPIIMJVYSDO-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339810;MM339810;CC(F)CNC(CN)CF;LFEHNUJSOVHPPW-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339811;MM339811;C#CC1(CC)OC=C(C)O1;MOBCXGKNBVCQLV-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339812;MM339812;CCC(CN)NCC(F)F;OJSCQWNFLFYGNW-UHFFFAOYSA-N;152.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339813;MM339813;C#CC1(CO)OC=C(C)O1;OQHVIFGYZJRXND-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339814;MM339814;CCC(CF)NCC(F)F;JRKKLXDSDBAIHU-UHFFFAOYSA-N;155.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339815;MM339815;C#CC1(CC)ON=C(C)O1;OSAQYXAAGOYTCX-UHFFFAOYSA-N;139.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339816;MM339816;FCC(CF)NCC(F)F;MXBWLDGHWZOEBM-UHFFFAOYSA-N;159.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339817;MM339817;C#CC1(CO)ON=C(C)O1;WNFXEDMWHXAATG-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339818;MM339818;CCC(CN)OCC(C)C;JNHGLNDVERBBON-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339819;MM339819;C=CC1(C=C)CC=C(C)C1;QGWPHYJQCDHQCY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339820;MM339820;CCC(CO)OCC(C)C;DLXRYQAWKQJYBN-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339821;MM339821;C=CC1(C=O)CC=C(C)C1;ROKNWHMKRUGQRV-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339822;MM339822;CCC(CN)OCC(C)N;RSKIFLRXJMAHFJ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339823;MM339823;C=CC1(C#N)CC=C(C)C1;STRTXGNFKDNJJO-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339824;MM339824;CC(N)COC(CO)CO;LRHCKENNTITTHU-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339825;MM339825;CC1=CCC(C=O)(C=O)C1;NAIOWDZZGLGJGN-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339826;MM339826;CC(N)COC(CF)CF;WEFNZJYCFSFMRJ-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339827;MM339827;CC1=CCC(C#N)(C=O)C1;HQOWWCNEFGAKPK-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339828;MM339828;CC(O)COC(CO)CO;QPRFSDBFOZDNDT-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339829;MM339829;CC1=CCC(C#N)(C#N)C1;BIQVZDQNUTXKSW-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339830;MM339830;CC(O)COC(CO)CF;DIBPDDNOBXRJQD-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339831;MM339831;C=CC1(C=C)CC=C(F)C1;KNDLZNOLMUBEGR-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339832;MM339832;CCC(CN)OCC(C)F;JSDFCLZAJHEXJV-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339833;MM339833;C=CC1(C=O)CC=C(F)C1;NHSOOMKUKRLYHK-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339834;MM339834;CCC(CF)OCC(C)F;IFIIQRJDJNBGFM-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339835;MM339835;C=CC1(C#N)CC=C(F)C1;JNIAWGSGJPJJBD-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339836;MM339836;CCC(CN)OCC(F)F;GJBBKIZENLYLHZ-UHFFFAOYSA-N;153.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339837;MM339837;O=CC1(C=O)CC=C(F)C1;YBSQIGNFFOIIDP-UHFFFAOYSA-N;142.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339838;MM339838;CCC(CO)OCC(F)F;XPNRYUDPSSSMIL-UHFFFAOYSA-N;154.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339839;MM339839;N#CC1(C=O)CC=C(F)C1;QAFLWLBPHWDCTI-UHFFFAOYSA-N;139.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339840;MM339840;COC(CO)OCC(C)N;IOAPXTVYXTYYNH-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339841;MM339841;N#CC1(C#N)CC=C(F)C1;WOQLRZHYZDEIJW-UHFFFAOYSA-N;136.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339842;MM339842;COC(CN)OCC(C)O;IDVJDCSUQFSWPK-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339843;MM339843;COC(CO)OCC(C)O;DPCZOJCPTXSPSZ-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339844;MM339844;C=CC1(C=C)CC(C)=NN1;SRHKQJYBBRCPFI-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339845;MM339845;COC(CF)OCC(C)O;JIYVGJXPIGLLCO-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339846;MM339846;C=C1CC=C(CO)C1C;KRACSBLBUSKCOL-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339847;MM339847;CCC(OC)OCC(C)F;HMUJIQFUCRLQNI-UHFFFAOYSA-N;150.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339848;MM339848;Cc1[nH]nc(C#N)c1N;FMPXYDMXPUDEJG-UHFFFAOYSA-N;122.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339849;MM339849;COC(CN)OCC(C)F;PDTHGMAZEGSCJP-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339850;MM339850;C=C1CCC(CO)=C1C;WKIGBSSGFJMMOM-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339851;MM339851;COC(CF)OCC(C)F;IRIVPJCBGHEZKY-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339852;MM339852;CCC=CCC1CC1O;HNSXIXQGYWPQMJ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339853;MM339853;COC(CN)OCC(F)F;IHGWZOCETVWPLO-UHFFFAOYSA-N;155.14;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339854;MM339854;C=CC1(C=C)CC(C)=CO1;YSOMRCCBZKFOFM-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339855;MM339855;COC(CO)OCC(F)F;VPRZUKNLANHFRD-UHFFFAOYSA-N;156.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339856;MM339856;C=CC1(C=O)CC(C)=CO1;LLQCGIKHNXUVHG-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339857;MM339857;CCC(CC)CCN(C)C;BQRNQSBEUJWIAS-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339858;MM339858;C=CC1(C#N)CC(C)=CO1;WIUHGMOYLSPXBN-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339859;MM339859;CCC(CN)CCN(C)C;MOZLVZWMFVRPPP-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339860;MM339860;CC1=COC(C#N)(C=O)C1;QEZSURVONNUHAQ-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339861;MM339861;CCC(CO)CCN(C)C;MEMNAPSDMITSQN-UHFFFAOYSA-N;145.25;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339862;MM339862;CC1=COC(C#N)(C#N)C1;ABIPPWCXVISZGN-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339863;MM339863;CCC(CF)CCN(C)C;YMSPGLZBESSPCP-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339864;MM339864;C=CC1(C#N)CC(F)=CO1;HGPUFOKFGZXCQN-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339865;MM339865;CN(C)CCC(CN)CO;BCWQJWCJDAYZRM-UHFFFAOYSA-N;146.23;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339866;MM339866;N#CC1(C#N)CC(F)=CO1;GQQHQYBOZWHPJY-UHFFFAOYSA-N;138.1;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339867;MM339867;CCC(CCN(C)C)NC;OJIBVUWWSURZJI-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339868;MM339868;C=CC1(C=C)CC(C)=NO1;UOAWAJLEZPARJV-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339869;MM339869;CCC(CCN(C)C)OC;DEEZIFAUNMFIDY-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339870;MM339870;C=CC1(C=O)CC(C)=NO1;WWCDYYYJRCNZKU-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339871;MM339871;CCN(CC)CCC(C)C;FJPUTKPSUZLWMN-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339872;MM339872;CCN(CC)CCC(C)N;MYILNZVZVCMGRB-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339873;MM339873;C=CC1(C#N)CC(C)=NO1;XHUWAENUBYGSEE-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339874;MM339874;CCN(CC)CCC(C)O;QUDBKQDNUJKSAM-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339875;MM339875;CC1=NOC(C#N)(C#N)C1;JVIIFYTUMOVGPM-UHFFFAOYSA-N;135.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339876;MM339876;CCN(CC)CCC(C)F;IGHKUPNZASKAIE-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339877;MM339877;C=CC1(C=C)CNC(C)=N1;ULCXTIXUQZNVIA-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339878;MM339878;CCN(CC)CCC(F)F;VLCVYAYDXPIOMR-UHFFFAOYSA-N;151.2;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339879;MM339879;C=CC=CCC1CC1O;XBYJHUXZKJWBDR-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339880;MM339880;CCN(CC)CCN(C)C;YUKZJEQIDOFUPV-UHFFFAOYSA-N;144.26;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339881;MM339881;O=CC=CCC1CC1O;DLJMDMHZHZBDMS-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339882;MM339882;C=CC(CC)CCC(C)C;GFUAEOOSIUEKLK-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339883;MM339883;C=CC1(C=C)CC=C(C)O1;JDBIHQOVGWKALT-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339884;MM339884;CCC(C=O)CCC(C)C;HESMMEIXCMBNNJ-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339885;MM339885;C=CC1(C=O)CC=C(C)O1;BJVFHHCJWWCXBR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339886;MM339886;CCC(C#N)CCC(C)C;NHCLSWLZJXPPNK-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339887;MM339887;C=CC1(C#N)CC=C(C)O1;MOXRRDVQNRMOEO-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339888;MM339888;C=CC(CN)CCC(C)C;RIMIUEFXVNEQQB-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339889;MM339889;CC1=CCC(C=O)(C=O)O1;HYCJHUBKCQKKSG-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339890;MM339890;C=NNC(CC=O)C(C)C;ANRNVAFNLGLJST-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339891;MM339891;CC1=CCC(C#N)(C=O)O1;VTFFEGMLEPFJEE-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339892;MM339892;C=CC(CF)CCC(C)C;BAIUAMCXNXWQQK-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339893;MM339893;CC1=CCC(C#N)(C#N)O1;GWLBDKAEYSKPGF-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339894;MM339894;C=CC(CC)CCC(C)N;IYXRATRWASXUHC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339895;MM339895;C=CC1(C=C)OC=C(C)O1;BYAKFBXRXSDSSZ-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339896;MM339896;C=CC(CO)CCC(C)N;ADYLKDIBCLMRNT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339897;MM339897;C=CC1(C=O)OC=C(C)O1;IVICSGINXGXQGR-UHFFFAOYSA-N;140.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339898;MM339898;C=CC(CF)CCC(C)N;KWJRHPWBJCSMTC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339899;MM339899;C=CC1(C#N)OC=C(C)O1;JRIULJIIRDUSAG-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339900;MM339900;CC(C)C(=CC=O)CCO;NSNKOCPGSWXBQW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339901;MM339901;CC1=COC(C#N)(C#N)O1;LSTHANMGCUHNAZ-UHFFFAOYSA-N;136.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339902;MM339902;CC(C)=C(CC=O)CCO;MVMBFRKDVHLTSK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339903;MM339903;C=CC(CN)CCC(C)O;IWMJMOZSGXCRNJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339904;MM339904;C=CC1(C=C)ON=C(C)O1;XNUXVPZLZOFRIA-UHFFFAOYSA-N;139.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339905;MM339905;CCC(O)C=CC(C)C#N;GIILUWIFQPEXAT-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339906;MM339906;C=CC1(C=O)ON=C(C)O1;RTTFMQSMTYOGNP-UHFFFAOYSA-N;141.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339907;MM339907;CC(O)CCC(C=O)CO;MEIJGVVXLLXOEX-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339908;MM339908;C=CC1(C#N)ON=C(C)O1;OZQRSFQJKHMTPF-UHFFFAOYSA-N;138.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339909;MM339909;CC(O)CCC(C#N)CO;ZUSVNTPAECIZCX-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339910;MM339910;CC1=NOC(C#N)(C=O)O1;DQJRKQIPIWBNMO-UHFFFAOYSA-N;140.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339911;MM339911;CC(=NCC=O)N(C)C=O;MYHYNUKXBHMPFR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339912;MM339912;CC1=NOC(C#N)(C#N)O1;BFHLCHHQQYJDIM-UHFFFAOYSA-N;137.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339913;MM339913;C=CC(CC)CCC(C)F;KQOUXNTXAOHSIW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339914;MM339914;C#CC1(C=C)CC=C(C)C1;UGNHHXYSEVPEOA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339915;MM339915;C=CC(CN)CCC(C)F;WEYXBOAANNGPRV-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339916;MM339916;C#CC1(C=O)CC=C(C)C1;WAWDCQXEDRHFIA-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339917;MM339917;CCC(C)N(C=O)CC=O;OYAMUVAUTJRPOW-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339918;MM339918;C#CC1(C#N)CC=C(C)C1;MPRZPQJEYMZGHA-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339919;MM339919;CC(F)CCC(C=O)CF;ZXGOLGBOPQEJCW-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339920;MM339920;C#CC1(C=C)CC=C(F)C1;BFRRJJCYIAYNDJ-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339921;MM339921;C=CC(CN)CCC(F)F;BSEUXXVVTRGNOI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339922;MM339922;C#CC1(C=O)CC=C(F)C1;DHZFWTRPRWAATR-UHFFFAOYSA-N;138.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339923;MM339923;C#CC(CCO)C(C)C=C;NNHIYCFQMXEXTR-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339924;MM339924;C#CC1(C#N)CC=C(F)C1;WAWCNTMUVJUNKL-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339925;MM339925;C=CC(CF)CCC(F)F;LIWHQQDSVBOGSP-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339926;MM339926;N#CC=CCC1CC1O;RNDLUNIGKDUDRI-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339927;MM339927;O=CC(CF)CCC(F)F;VPOHRHWWTXSSIK-UHFFFAOYSA-N;154.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339928;MM339928;C#CC=CCC1CC1O;DHTGGZNTYXGLIS-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339929;MM339929;C=CC(CCC(C)C)NC;OBHHPVABALXZKM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339930;MM339930;C#CC=C(C)C1CC1O;GBUJIVNKKMGHDZ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339931;MM339931;CNC(C=O)CCC(C)C;VESZECDRYBMSAH-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339932;MM339932;C#CC1(C=C)CC(C)=CO1;PIIPQPXDCJCUBG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339933;MM339933;CNC(C#N)CCC(C)C;XSRRYCNQTWXQKA-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339934;MM339934;C#CC1(C=O)CC(C)=CO1;RJAYEWWTRWSWOY-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339935;MM339935;C=CC(CCC(C)O)NC;ZJFISBNCENJZMB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339936;MM339936;C#CC1(C#N)CC(C)=CO1;WGJWFHATJYFHCR-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339937;MM339937;CC=C(CCO)C(C)C=O;BBEMNNPXXRNYAP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339938;MM339938;C#CC1(C=C)CC(F)=CO1;RPFDTGVPZQBILO-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339939;MM339939;C=CC(CCC(C)F)NC;XIGJZDHHWZLBNG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339940;MM339940;C#CC1(C=O)CC(F)=CO1;GDKUJTVIMOPHQF-UHFFFAOYSA-N;140.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339941;MM339941;CNC(C=O)CCC(C)F;KJGCSYFDCFBVGN-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339942;MM339942;C#CC1(C#N)CC(F)=CO1;QYQPGFULNCVHMM-UHFFFAOYSA-N;137.11;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339943;MM339943;C=CC(CCC(F)F)NC;TWYCRDQGBXAFEU-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339944;MM339944;C#CC1(C=C)CC(C)=NO1;YOBJUCOXCHVMLK-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339945;MM339945;C=CC(CCC(C)C)OC;NLYKVSORSNVPSA-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339946;MM339946;C#CC1(C#N)CC(C)=NO1;MYOGKDDDBINGEE-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339947;MM339947;C#CC1(C#N)CNC(C)=N1;SXCSEDREUIMIPL-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339948;MM339948;COC(C=O)CCC(C)C;LIPUPQORYOEGRC-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339949;MM339949;C#CC1(C=C)CC=C(C)O1;KDSVTMYRCYRELX-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339950;MM339950;COC(C#N)CCC(C)C;OXBXVDDUIFYEKQ-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339951;MM339951;C#CC1(C=O)CC=C(C)O1;CTQYZOYXYICQQB-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339952;MM339952;C=CC(CCC(C)F)OC;XIVXGJABKJNGKB-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339953;MM339953;C#CC1(C#N)CC=C(C)O1;ZKYFZCMVFOQEBA-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339954;MM339954;C=CC(CCC(F)F)OC;OWPINTIEDFWMPO-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339955;MM339955;C#CC1(C=C)OC=C(C)O1;OHEPZKPGQXKQIZ-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339956;MM339956;C=CC(CC)CNC(C)C;RAWNOINGQWQPGN-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339957;MM339957;C#CC1(C#N)OC=C(C)O1;XUWBFBWGYRWQDI-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339958;MM339958;CCC(C=O)CNC(C)C;XXQJFHWJLYEPBT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339959;MM339959;C#CC1(C=C)ON=C(C)O1;IFLCIIPHQZIJJU-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339960;MM339960;CC(C)NCC(C=O)CO;ANGJXEVUXSZRMR-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339961;MM339961;C#CC1(C=O)ON=C(C)O1;KZORSNPNLRHJRY-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339962;MM339962;C=CC(CF)CNC(C)C;ZSCLYDOXSACEJK-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339963;MM339963;C#CC1(C#N)ON=C(C)O1;GCGOLSQRLXWUOF-UHFFFAOYSA-N;136.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339964;MM339964;C=CC(CNC(C)C)OC;JNNZAHBJPIYPNJ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339965;MM339965;C#CC1(C#C)CC=C(C)C1;VAGHVILLVQEOCT-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339966;MM339966;C=CC(CN)COC(C)C;HRONPAWWWZRLMD-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339967;MM339967;C#CC1(C#C)CC=C(F)C1;OSDPNPWBIMJJGD-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339968;MM339968;C=CC(CO)COC(C)C;UGPWGFGUMCCKDH-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339969;MM339969;C=NOCC(C=O)CC;OFLSWSXEIWRSFI-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339970;MM339970;CC(C)OCC(C=O)CO;ZABYYGYKDKRPIW-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339971;MM339971;C#CC1(C#C)CC(C)=CO1;VEYXKDFIPSWOPK-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339972;MM339972;C=CC(CF)COC(C)C;BXNVHKKRHOIFSP-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339973;MM339973;C#CC1(C#C)CC(F)=CO1;ZGHXWODSIKGSEE-UHFFFAOYSA-N;136.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339974;MM339974;CC(C)OCC(C=O)CF;ADGIVCZVIAECNB-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339975;MM339975;C#CC1(C#C)CC(C)=NO1;QOXOXPHFPWQIPY-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339976;MM339976;C=CC(COC(C)C)NC;PLHTXRAUPCZNCA-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339977;MM339977;C#CC1(C#C)CNC(C)=N1;XPQSDPIJWRFLBG-UHFFFAOYSA-N;132.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339978;MM339978;COC(C=O)COC(C)C;IHKBHXNZOMHOBC-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339979;MM339979;C#CC1(C#C)CC=C(C)O1;AYIPXRQNPKNKPR-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339980;MM339980;COC(C#N)COC(C)C;HVVIFSYHRLJGCT-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339981;MM339981;C#CC1(C#C)OC=C(C)O1;RLUWFVXCHFGXLF-UHFFFAOYSA-N;134.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339982;MM339982;C=CC(CC)NCC(C)C;XATYNQJPMGCKIM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339983;MM339983;C#CC1(C#C)ON=C(C)O1;JMJRWXWXOZEFPP-UHFFFAOYSA-N;135.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339984;MM339984;CCC(C=O)NCC(C)C;XOMOCWJPLGUXNN-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339985;MM339985;CCC1(CC)C=C(C)CC1;BHODHECOXUUIJJ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339986;MM339986;C=CC(CN)NCC(C)C;QFRKSYMDHLVVOE-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339987;MM339987;CCC1(CN)C=C(C)CC1;WKRJYDVUNJCILJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339988;MM339988;C=CC(CO)NCC(C)C;YBOOIQPOBTVINQ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339989;MM339989;CN(C=O)C1CC1C=O;XFKMGBQBKAHURW-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339990;MM339990;C=CC(CF)NCC(C)C;AFNAAIGMNDMWAU-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339991;MM339991;CCC1(CF)C=C(C)CC1;LYQNODJQWAWDLD-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339992;MM339992;C=CC(CN)NCC(C)N;QHCLRSZXUBABPZ-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339993;MM339993;CC1=CC(CN)(CN)CC1;LIUADGGFSDSUBB-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339994;MM339994;C=CC(CO)NCC(C)N;VSIOXJCTWFGVGZ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339995;MM339995;CC1=CC(CN)(CO)CC1;XYDMXXHWIFHFFP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339996;MM339996;C=CC(CC)NCC(C)O;DORXOTDEFQNIFK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339997;MM339997;CC1=CC(CN)(CF)CC1;VLVNADJVSVOZIG-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339998;MM339998;C=CC(CN)NCC(C)O;KFHNVWNPGMWHQV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM339999;MM339999;CCC1(CC)C=C(F)CC1;TYQLQJQMWMZLCJ-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340000;MM340000;CCC(CCO)=C(C)C=O;ATJIRGZQDRZRDM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340001;MM340001;CCC1(CN)C=C(F)CC1;ROEBHONPELGBEN-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340002;MM340002;CCC(C#N)NCC(C)F;XTAUBBNNROEBAR-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340003;MM340003;CCC1(CO)C=C(F)CC1;KXZNUKQHPBJXFZ-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340004;MM340004;C=CC(CN)NCC(C)F;YKPZJYSDBGZQLP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340005;MM340005;NCC1(CN)C=C(F)CC1;CKEINHVHNTYPRQ-UHFFFAOYSA-N;144.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340006;MM340006;CCC1(NC)C=C(C)CC1;AEKMARBWISNXGY-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340007;MM340007;N=CN(C=O)C=NCC=O;DGKUWVIKERAPDJ-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340008;MM340008;CNC1(CN)C=C(C)CC1;LPHMNAWQANEORF-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340009;MM340009;C=CC(CN)NCC(F)F;BPANJMSRFQNLRE-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340010;MM340010;CNC1(CO)C=C(C)CC1;VCZIOTZTXOLZAJ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340011;MM340011;C=CC(CF)NCC(F)F;GHWAXIRCZAPQNO-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340012;MM340012;CCC1(NC)C=C(F)CC1;AWSSTSWHEXHLLJ-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340013;MM340013;C=CC(CC)OCC(C)C;QNQMESXAZUFAQF-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340014;MM340014;CNC1(CN)C=C(F)CC1;QCIQDJJASHAIFX-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340015;MM340015;C=CC(CN)OCC(C)C;VUMRHBRNAHCBCQ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340016;MM340016;CNC1(CO)C=C(F)CC1;BDNKREGNSNQMGO-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340017;MM340017;C=CC(CO)OCC(C)C;XXWYSZMAJSHSLK-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340018;MM340018;CCC1(OC)C=C(C)CC1;FVPOJBRUDFKCTB-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340019;MM340019;C=CC(CF)OCC(C)C;NWHHGKHQLSOSJU-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340020;MM340020;COC1(CN)C=C(C)CC1;UVEJNDILMOCYER-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340021;MM340021;CC(O)COC(C#N)CO;JPVCREUQLLIQDF-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340022;MM340022;CCC1(OC)C=C(F)CC1;KIDPTVMYCXCZFC-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340023;MM340023;C=CC(CO)OCC(C)F;PDUCMXVQGXBGSX-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340024;MM340024;CCC1(CC)C=C(C)OC1;NMDVWLQHLCYQGE-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340025;MM340025;CC(F)COC(C#N)CO;WVDOPJRMHCXARJ-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340026;MM340026;CCC1(CN)C=C(C)OC1;OERJWFBPXYRUFO-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340027;MM340027;C=CC(OC)OCC(C)C;UMWCLJCGJDTPFA-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340028;MM340028;CCC1(CO)C=C(C)OC1;RKTIBUAIVOJACV-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340029;MM340029;COC(C=O)OCC(C)F;OQKRHVUHLBUDQV-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340030;MM340030;CC1=CC(CN)(CN)CO1;UKEFKZYZDNWUDW-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340031;MM340031;COC(C#N)OCC(C)F;IHRNQLSFOCDLKY-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340032;MM340032;CCC1(NC)C=C(C)OC1;SMYBJNOHNXBDCC-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340033;MM340033;C=CC(CC)CCN(C)C;VZJIMRAFWWZSIT-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340034;MM340034;CNC1(CN)C=C(C)OC1;HJHILOFMACFZNO-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340035;MM340035;CCC(C=O)CCN(C)C;OJMHLIDEHWOZFP-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340036;MM340036;CCC1(OC)C=C(C)OC1;XIIKBLNYGSFKBT-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340037;MM340037;CCC(C#N)CCN(C)C;ZSGJHEZZDMNMQP-UHFFFAOYSA-N;140.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340038;MM340038;CCC1(CC)C=C(C)CN1;XCNBMVSJEHMPNC-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340039;MM340039;C=CC(CO)CCN(C)C;UXBABSBAWLCMHB-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340040;MM340040;CCC1(CN)C=C(C)CN1;BUOPUWFJYVYQTD-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340041;MM340041;C=CC(CF)CCN(C)C;CLSPKVHHSKHHEF-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340042;MM340042;CCC1(CO)C=C(C)CN1;FJZSWPNRDQFFHP-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340043;MM340043;CC1=CC(CN)(CN)NC1;HXIMUXMVWWJJRE-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340044;MM340044;CNC(C=O)CCN(C)C;GKSRDVHNMXGLII-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340045;MM340045;CC1=CC(CN)(CO)NC1;KGLPSVQISUOYJP-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340046;MM340046;COC(C=O)CCN(C)C;RXCCJXXCTFJWBM-UHFFFAOYSA-N;145.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340047;MM340047;CCC1(CC)C=C(F)CN1;CNFWIYFGQHSWJR-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340048;MM340048;CCN(C=N)CCC(C)C;OMKHSOFDJJHWBG-UHFFFAOYSA-N;142.25;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340049;MM340049;CCC1(CN)C=C(F)CN1;OAXWPGJWYBQYBS-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340050;MM340050;CCN(C=O)CCC(C)C;UZVMHYUQAIYFDW-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340051;MM340051;CCC1(CC)C=C(C)CO1;WLBBBFVRFPSIKV-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340052;MM340052;CCN(C=O)CCC(C)F;LSYUGHYCEBYUJB-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340053;MM340053;CCC1(CN)C=C(C)CO1;YNKZTCPKQHTPOI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340054;MM340054;C=NN(CC)CCC(C)C;ANSDXCJRQOVPLJ-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340055;MM340055;CC1=CC(CN)(CN)OC1;IVXTTXFUABCFRF-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340056;MM340056;C=NN(CC)CCC(C)F;XEMNSXRKUHBBNQ-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340057;MM340057;CCC1(OC)C=C(C)CO1;BFINKBMLDVOVKJ-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340058;MM340058;CNN(C=O)CCC(C)C;LJGRDUVTJHUCMX-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340059;MM340059;CCC1(OC)C=C(F)CO1;OVDZSXGFJNRVNE-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340060;MM340060;CNN(C=N)CCC(C)N;UDCDOJOMLOMHRV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340061;MM340061;C=CC1(CC)C=C(C)CC1;CCLDXMONOIDFCD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340062;MM340062;CNN(C=O)CCC(C)N;KIOAZADLSCTFHQ-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340063;MM340063;CCC1(C=O)C=C(C)CC1;QLYPVMFDTIJVHH-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340064;MM340064;CNN(C=N)CCC(C)F;ROTZIEYGRSILLS-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340065;MM340065;CCC1(C#N)C=C(C)CC1;LXXOBTIFVQVISC-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340066;MM340066;CNN(C=N)CCC(F)F;NZGIBIIYDCFUQI-UHFFFAOYSA-N;151.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340067;MM340067;C=CC1(CN)C=C(C)CC1;IYVXCZUOVSANPW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340068;MM340068;CON(C=N)CCC(C)C;HAMULUJONAIKBH-UHFFFAOYSA-N;144.22;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340069;MM340069;CC#CCC1CC1CO;POUCYJZDHZPIEF-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340070;MM340070;CON(C=N)CCC(C)O;HUPZCNTWGDYOCG-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340071;MM340071;CC1=CC(C#N)(CO)CC1;HGDFARQHHFDBTF-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340072;MM340072;CON(C=O)CCC(C)O;FMGHXWBGZRBZDO-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340073;MM340073;C=CC1(CC)C=C(F)CC1;UMFIQQRETPRBDV-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340074;MM340074;CON(C=N)CCC(C)F;WQNQXFGWQHBHSU-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340075;MM340075;CCC1(C=O)C=C(F)CC1;HUVSWJFKUHNVFQ-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340076;MM340076;CCN(C=N)OCC(C)C;JBTSQAYCWASOQO-UHFFFAOYSA-N;144.22;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340077;MM340077;CCC1(C#N)C=C(F)CC1;JRCFFYZHXBYHQC-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340078;MM340078;CCN(C=O)OCC(C)C;SRQBQLTVXBKIIF-UHFFFAOYSA-N;145.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340079;MM340079;C=CC1(CN)C=C(F)CC1;QUHRTUZDAHFGCL-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340080;MM340080;CCN(C=N)OCC(C)N;GNJCHWZSZWIWBR-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340081;MM340081;C=CC1(CO)C=C(F)CC1;GPJBAKVEQAYDJG-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340082;MM340082;CCN(C=N)OCC(C)O;NPBRBQCVCQKSDA-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340083;MM340083;O=CC1(CO)C=C(F)CC1;PCROQBCUERUAEQ-UHFFFAOYSA-N;144.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340084;MM340084;CCN(C=O)OCC(C)O;ISERTJAQIDVNBW-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340085;MM340085;N#CC1(CO)C=C(F)CC1;FNIVKZZDMORUOY-UHFFFAOYSA-N;141.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340086;MM340086;CCN(C=N)OCC(C)F;PNWOXUQGKHRBNR-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340087;MM340087;C=CC1(NC)C=C(C)CC1;OACQYEBPVAPQBD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340088;MM340088;CCN(C=O)OCC(C)F;SBIIFAWVPSPFPE-UHFFFAOYSA-N;149.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340089;MM340089;CNC1(C#N)C=C(C)CC1;ADHCSJJPNFRIAQ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340090;MM340090;CCN(C=N)CCN(C)C;WOYSKPUTTFYSCN-UHFFFAOYSA-N;143.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340091;MM340091;C=CC1(NC)C=C(F)CC1;BDGSZHHMSDVRRZ-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340092;MM340092;CNN(C=N)CCN(C)C;RCEPCFXXAUCVQG-UHFFFAOYSA-N;144.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340093;MM340093;C#CC(CC)CCC(C)C;CQOWYSOLIISDSM-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340094;MM340094;CNC1(C#N)C=C(F)CC1;HXXSAJFZKYNRHJ-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340095;MM340095;C#CC(CN)CCC(C)C;XHXPZPVTCYIZDQ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340096;MM340096;C=CC1(OC)C=C(C)CC1;HCAXNXFSLMYTHX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340097;MM340097;C#CC1(C=C)CC1CCO;SGUSEKOERWVGJY-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340098;MM340098;COC1(C=O)C=C(C)CC1;SFWFPGGKGNDYMO-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340099;MM340099;C#CC(CF)CCC(C)C;SJLHSWYTXUZYDF-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340100;MM340100;COC1(C#N)C=C(C)CC1;DGGMEBDKXYNDFH-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340101;MM340101;C#CC(CC)CCC(C)N;DWTCSGKZIJETEH-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340102;MM340102;C=CC1(OC)C=C(F)CC1;XNMCCGHGVGONKE-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340103;MM340103;C=CC1(C(=C)CCO)CC1;LZXVVGSHRGKQCT-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340104;MM340104;COC1(C=O)C=C(F)CC1;UODBLDXZTMQVBH-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340105;MM340105;C#CC(CC)CCC(C)F;GJBIKSQNQHNCHT-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340106;MM340106;COC1(C#N)C=C(F)CC1;PLUCMZXRNSFDCO-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340107;MM340107;C#CC(CN)CCC(C)F;GMCSVSUNEFTMFY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340108;MM340108;C=CC1(CC)C=C(C)OC1;HBSRUXBCAAHQMG-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340109;MM340109;C=COc1c[nH]c(NC)c1;ACEWVVZXCUPROB-UHFFFAOYSA-N;138.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340110;MM340110;CCC1(C=O)C=C(C)OC1;LDLVJORSAQLSFR-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340111;MM340111;C#CC(CF)CCC(C)F;YRRCPOMSOYYQDD-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340112;MM340112;CCC1(C#N)C=C(C)OC1;GXGYTVHBHAROSH-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340113;MM340113;C=CC1(CN)C=C(C)OC1;BEDBLEBIZRMIDQ-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340114;MM340114;C#CC(CC)CCC(F)F;VTIQVTIDQOTQHU-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340115;MM340115;CNC1(C#N)C=C(C)OC1;XDTHKGQAGCIINQ-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340116;MM340116;C#CC(CF)CCC(F)F;KVQZXWAEAFDHKX-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340117;MM340117;C=CC1(OC)C=C(C)OC1;XQTWGKBMPVVQAM-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340118;MM340118;C#CC(CCC(C)C)NC;VBVXIASIOYZYAA-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340119;MM340119;COC1(C#N)C=C(C)OC1;HSYRVONJRGYRHN-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340120;MM340120;C#CC(CCC(C)F)NC;GBBLATRBCZPPRW-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340121;MM340121;C=CC1(CC)C=C(C)CN1;LFIPJCLZEWDVER-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340122;MM340122;C#CC(CCC(F)F)NC;WWMZFSOWCPCWDF-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340123;MM340123;CCC1(C=O)C=C(C)CN1;NZWQERZNUJHKCO-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340124;MM340124;C#CC(CCC(C)C)OC;DGNZHAXCPMADDI-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340125;MM340125;C=CC1(CN)C=C(C)CN1;ZDKHWLVPJUWGNC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340126;MM340126;C#CC(CCC(C)O)OC;DGDAYDKTBDSYDP-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340127;MM340127;CC1C(C)C1C1CC1O;LBEISOHUSHIRIH-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340128;MM340128;C#CC(CCC(C)F)OC;LPJQBMZGQVRSBP-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340129;MM340129;CCC1(C#N)C=C(F)CN1;DLYXPADEZGKTCQ-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340130;MM340130;C#CC(CC)CNC(C)C;PMENQFOAUKQFOR-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340131;MM340131;C=CC1(CN)C=C(F)CN1;WBSITQQTGZOSMC-UHFFFAOYSA-N;142.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340132;MM340132;C#CC(CF)CNC(C)C;MACXPWICCWUZJQ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340133;MM340133;C=CC1(CC)C=C(C)CO1;OXNAAPFNYIRBCX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340134;MM340134;C#CC(CO)COC(C)C;TVAKHDJJBMTLSL-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340135;MM340135;CCC1(C#N)C=C(C)CO1;DEOYBKOXWCAQFN-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340136;MM340136;C#CC(CF)COC(C)C;MMJQNQFKBRUCFO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340137;MM340137;C=CC1(CN)C=C(C)CO1;BZNXZDZZFSWRRV-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340138;MM340138;C#CC(COC(C)C)OC;LVZDAISTGMAFSE-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340139;MM340139;CCC1(C=O)C=C(F)CO1;MPWYAFJDCYXMAA-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340140;MM340140;C#CC(CC)NCC(C)C;IZJPCMKOYBDWER-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340141;MM340141;CCC1(C#N)C=C(F)CO1;LMYARQJROOOIDJ-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340142;MM340142;C#CC(CN)NCC(C)N;GZSZSVPHGMMVPU-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340143;MM340143;C=CC1(CN)C=C(F)CO1;VTNNYQBORSRNLG-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340144;MM340144;C#CC(CO)NCC(C)N;VLQPGOSBHYQXLE-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340145;MM340145;COC1(C#N)C=C(F)CO1;YPGZGJDJMKQUJP-UHFFFAOYSA-N;143.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340146;MM340146;C#CC(CN)NCC(C)F;UFBBYCKWGGZKLC-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340147;MM340147;C#CC1(CC)C=C(C)CC1;ZMUJLMYCXSPUBH-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340148;MM340148;CCNc1cn(C=N)nn1;NZSJBHWVCZXFCJ-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340149;MM340149;C#CC1(CN)C=C(C)CC1;LXKJNGRWCKVDGK-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340150;MM340150;C=CC(C)(O)C=CCC#N;QTLFLEFNKPHVQO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340151;MM340151;C#CC(CN)OCC(C)C;ALUHILBACOZBMS-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340152;MM340152;C#CC1(CF)C=C(C)CC1;PRMBFGSMKZHNLO-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340153;MM340153;C#CC(CO)OCC(C)N;LPUDLNSEMOSXII-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340154;MM340154;C#CC1(CC)C=C(F)CC1;SUCBZFPLFLPBMI-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340155;MM340155;C#CC(CN)OCC(C)O;ILLOKSNMPHIILL-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340156;MM340156;C#CC1(CN)C=C(F)CC1;USRANTULWLRURP-UHFFFAOYSA-N;139.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340157;MM340157;C#CC(CO)OCC(C)O;UPVFZFUSNSKOIV-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340158;MM340158;C#CC1(CO)C=C(F)CC1;HRLOMYDQHDOEFK-UHFFFAOYSA-N;140.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340159;MM340159;C#CC(OC)OCC(C)N;MCCURUSQOXYKGN-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340160;MM340160;C#CC1(NC)C=C(C)CC1;OGZRZFPXCLNFCG-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340161;MM340161;C#CC(OC)OCC(C)F;YMNAFEXLAUAJRM-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340162;MM340162;C#CC1(OC)C=C(C)CC1;RQFWXBNLAKRYJX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340163;MM340163;C#CC(CC)CCN(C)C;JVWUQVQKKDKCPK-UHFFFAOYSA-N;139.24;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340164;MM340164;C#CC1(OC)C=C(F)CC1;TZVNKDADQYNEIE-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340165;MM340165;C#CC(CCN(C)C)OC;YSHQGRPQRGQQDI-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340166;MM340166;C#CC1(CC)C=C(C)OC1;VMHJBEIAJYSDPA-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340167;MM340167;C=CC(C=C)CCC(C)C;PGALKTUVPTWVOD-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340168;MM340168;C#CC1(CN)C=C(C)OC1;DKCBPKCDTCOPLJ-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340169;MM340169;C=CC(C=O)CCC(C)C;FOYPUEPGTMYBQZ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340170;MM340170;C#CC1(CO)C=C(C)OC1;CBOAJHZRZBXKIL-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340171;MM340171;C=CC(C#N)CCC(C)C;QRBWDNRJGZCUKF-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340172;MM340172;C#CC1(OC)C=C(C)OC1;LWGGOOYUOJBIGG-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340173;MM340173;CC(C)CCC(C#N)C=O;ROCWRAGSJSPMLG-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340174;MM340174;C#CC1(CC)C=C(C)CN1;MVXUAJBLWIEYHS-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340175;MM340175;CC(C)CCC(C#N)C#N;SBQFSZUDZNNUFG-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340176;MM340176;C#CC1(CN)C=C(C)CN1;WOKPPZRZMVQCOA-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340177;MM340177;C=CC(C=C)CCC(C)N;HVLKHCLVMJVVRG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340178;MM340178;C#CC1(CO)C=C(C)CN1;QAIQHNJHMWJGMM-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340179;MM340179;C=CC12C=C(CO)C(C1)C2;XVWJKGZIDIHLGL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340180;MM340180;C#CC1(CN)C=C(F)CN1;VURJXQLEPUJZTG-UHFFFAOYSA-N;140.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340181;MM340181;O=CC12C=C(CO)C(C1)C2;MKDSRZAATIMEBB-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340182;MM340182;C#CC1(CC)C=C(C)CO1;KQGCIGQWOUEXFD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340183;MM340183;CC(O)CCC(C#N)C#N;NZQPFWYFDWIJDY-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340184;MM340184;C#CC1(CN)C=C(C)CO1;XCEHDSBVCSWOKO-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340185;MM340185;C=CC(C=C)CCC(C)F;OUNYJJLMWSFPTN-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340186;MM340186;C#CC1(CC)C=C(F)CO1;GPNBYUBWSXCROB-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340187;MM340187;C=CC(C#N)CCC(C)F;LJMLQOUBVCRTIM-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340188;MM340188;C#CC1(CN)C=C(F)CO1;FORIOBHCIZCZSD-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340189;MM340189;CC(F)CCC(C#N)C#N;LAQZXZOUIBXGHB-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340190;MM340190;C#CC1(OC)C=C(C)CO1;VDGBJRTWYRAFNB-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340191;MM340191;C=CC(C=C)CCC(F)F;AXCXAFDHQGTKOV-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340192;MM340192;C#CC1(OC)C=C(F)CO1;FGIZMCYWPIDYFP-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340193;MM340193;C=CC(C=O)CCC(F)F;MTGJHNJOXQTJIC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340194;MM340194;C=CC1(C=C)C=C(C)CC1;DCOOACGVWIXOKU-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340195;MM340195;N#CC(C#N)CCC(F)F;MPWSKMDBUCPVLA-UHFFFAOYSA-N;144.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340196;MM340196;C=CC1(C=O)C=C(C)CC1;OSUJWVSYCNKNHU-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340197;MM340197;C=CC(C=C)CNC(C)C;KJDJFPSOFNKAJK-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340198;MM340198;C=CC1(C#N)C=C(C)CC1;YDUITDQTACEFLC-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340199;MM340199;C=CC(C=O)CNC(C)C;ASFTYMCMEFYCHH-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340200;MM340200;CC1=CC(C=O)(C=O)CC1;IFTFWDFVGCDPQU-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340201;MM340201;CC(C)NCC(C=O)C=O;VZXMHQQJBYBDLB-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340202;MM340202;CC1=CC(C#N)(C=O)CC1;GFICLHHZDZCQHC-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340203;MM340203;C=CC(C=C)COC(C)C;BSYUJBJQRPTTGI-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340204;MM340204;CC1=CC(C#N)(C#N)CC1;UTDBQWRPHCEBQJ-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340205;MM340205;CC(C)OCC(C#N)C=O;DYEVTSFJHCUOOP-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340206;MM340206;C=CC1(C=C)C=C(F)CC1;ACDSSAGKNPLPMA-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340207;MM340207;C=CC(C=C)NCC(C)C;PBTUDBDWRHWWSZ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340208;MM340208;C=CC1(C#N)C=C(F)CC1;YYBZJXWKMIDGKV-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340209;MM340209;C=CC(C#N)NCC(C)C;VMKBPPLVBQGIGH-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340210;MM340210;O=CC1(C=O)C=C(F)CC1;QALCRDRLHKMGLJ-UHFFFAOYSA-N;142.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340211;MM340211;C=CC(C=C)NCC(C)N;BGDJCWVQUPDSBT-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340212;MM340212;N#CC1(C=O)C=C(F)CC1;JVEUJNPBSQXXTM-UHFFFAOYSA-N;139.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340213;MM340213;CN1C(C#N)CC1CC=O;YLFAHTWIEXGMTB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340214;MM340214;N#CC1(C#N)C=C(F)CC1;JRBOJZBNCBXWFR-UHFFFAOYSA-N;136.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340215;MM340215;C#Cc1onc(NC)c1C;SAADKRXVMNEMTP-UHFFFAOYSA-N;136.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340216;MM340216;C=CC1(C=C)C=C(C)OC1;CBSBCCLBPPFQLL-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340217;MM340217;C=CC(C#N)NCC(C)F;NYYNFQWJZGTJHB-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340218;MM340218;C=CC1(C=O)C=C(C)OC1;KFNYXKMGJOZNCR-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340219;MM340219;C=CC(C=C)NCC(F)F;SRVYCGYWWALCIH-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340220;MM340220;C=CC1(C#N)C=C(C)OC1;SAYMGMILGJPFSB-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340221;MM340221;CC1C(O)C1CC#CC#N;TXRBJMQERKOOHI-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340222;MM340222;CC1=CC(C=O)(C=O)CO1;SREZAMWRQRPHNV-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340223;MM340223;C=CC(C=O)OCC(C)C;VTOBVHWZQLAPQK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340224;MM340224;CC1=CC(C#N)(C=O)CO1;OPBROZCIGPWJOB-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340225;MM340225;C=CC(C#N)OCC(C)C;NKSRQZUXVSSXSX-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340226;MM340226;CC1=CC(C#N)(C#N)CO1;QUKXMNVBMMWNCB-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340227;MM340227;C=CC(C#N)OCC(C)O;ADMPBCMRXCIJRZ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340228;MM340228;C=CC1(C=C)C=C(C)CN1;GVVVRYWGUIMWIR-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340229;MM340229;C=CC1(C#N)C=C(C)CN1;KGWNWAQFDDGLON-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340230;MM340230;CC(O)COC(C#N)C=O;CIMULFLHQWILOS-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340231;MM340231;CC1=CC(C#N)(C=O)NC1;MGQGUXFRIKSCLM-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340232;MM340232;C=CC(C=O)OCC(C)F;SWZCLYNYPYRSHS-UHFFFAOYSA-N;146.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340233;MM340233;CC1=CC(C#N)(C#N)NC1;GOUCPLDLROMXNU-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340234;MM340234;CC(F)COC(C=O)C=O;BUTASWUFHKMHCU-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340235;MM340235;C=CC1(C=O)C=C(F)CN1;GNLKMKOIIFJHMH-UHFFFAOYSA-N;141.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340236;MM340236;CC(F)COC(C#N)C=O;YUZBDGJYEVTAMZ-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340237;MM340237;C=CC1(C#N)C=C(F)CN1;SRODYVLFTBROEA-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340238;MM340238;O=CC(C=O)OCC(F)F;BSNWYPBKCMBSHX-UHFFFAOYSA-N;152.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340239;MM340239;N#CC1(C=O)C=C(F)CN1;DXZXZJXKFWANNL-UHFFFAOYSA-N;140.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340240;MM340240;N#CC(C#N)OCC(F)F;WQRODKMMRBQMNO-UHFFFAOYSA-N;146.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340241;MM340241;N#CC1(C#N)C=C(F)CN1;QYPRWKLUKJFSQN-UHFFFAOYSA-N;137.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340242;MM340242;C=CC(C=C)CCN(C)C;OCDNNGNTHZBMFG-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340243;MM340243;C=CC1(C=C)C=C(C)CO1;KUDBBPYWVDZOIV-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340244;MM340244;C=CC(C#N)CCN(C)C;OVRHFQYSSQSOPE-UHFFFAOYSA-N;138.21;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340245;MM340245;C=CC1(C#N)C=C(C)CO1;KTERXGKZCZTHRU-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340246;MM340246;C=CN(C=N)CCC(C)C;IGGRIPUUCWAGAM-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340247;MM340247;CC1=CC(C#N)(C=O)OC1;LJMDBSYUPVECKW-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340248;MM340248;C=CN(C=O)CCC(C)C;OQYBDISNFKKKGE-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340249;MM340249;CC1=CC(C#N)(C#N)OC1;VZPFNVXBVNVTNY-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340250;MM340250;CC(C)CCN(C=N)C=N;LXKYVGRHAUFKDD-UHFFFAOYSA-N;141.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340251;MM340251;C=CC1(C=C)C=C(F)CO1;PKJOHXVOBLWPNA-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340252;MM340252;CC(C)CCN(C=N)C=O;QXCUYGIJWSPUHX-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340253;MM340253;C=CC1(C=O)C=C(F)CO1;FRSRRZHFCDXVQL-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340254;MM340254;CC(C)CCN(C=O)C=O;ZWEXEKBUWMBKND-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340255;MM340255;C=CC1(C#N)C=C(F)CO1;YCUBPDFGXIHKBK-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340256;MM340256;CC(N)CCN(C=N)C=N;TYPBCGXWHWNRJW-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340257;MM340257;N#CC1(C#N)C=C(F)CO1;AHTMQKDBOSUULI-UHFFFAOYSA-N;138.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340258;MM340258;CC(N)CCN(C=N)C=O;XWAHRLHAGSFEQK-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340259;MM340259;C#CC1(C=C)C=C(C)CC1;MXGBQGMLPRRCMP-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340260;MM340260;CC(N)CCN(C=O)C=O;KEEFEAKCJUUKQU-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340261;MM340261;C#CC1(C=O)C=C(C)CC1;CPGZCQFHGSLAKV-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340262;MM340262;C=CN(C=N)CCC(C)O;HAYFGVDRSRECKD-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340263;MM340263;C#CC1(C#N)C=C(C)CC1;LAOUFCHVHIVMHT-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340264;MM340264;C=CN(C=O)CCC(C)O;AFDSSMWLAKAYQW-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340265;MM340265;C#CC1(C=C)C=C(F)CC1;RGUZKYLYELMMCB-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340266;MM340266;C=NN=CNN=CCC#N;UQNITWJBTORRQJ-UHFFFAOYSA-N;137.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340267;MM340267;C#CC1(C=O)C=C(F)CC1;VXFMOTSSRYWETF-UHFFFAOYSA-N;138.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340268;MM340268;C=CN(C=N)CCC(C)F;CMRFIZSPTPSPBT-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340269;MM340269;C#CC1(C#N)C=C(F)CC1;SGPCAQRAQBUNHI-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340270;MM340270;C=CN(C=N)CCC(F)F;CHRMETDLPOEVKL-UHFFFAOYSA-N;148.16;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340271;MM340271;C#CC1(C=C)C=C(C)OC1;CRFBCIAZDMTOIV-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340272;MM340272;N=CN(C=O)CCC(F)F;JAVCIXXAFNNZJI-UHFFFAOYSA-N;150.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340273;MM340273;C#CC1(C=O)C=C(C)OC1;URQVHCBCQJHXND-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340274;MM340274;O=CN(C=O)CCC(F)F;WFOWLVJVPCYYCS-UHFFFAOYSA-N;151.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340275;MM340275;C#CC1(C#N)C=C(C)OC1;MSBCNVIZUYFYKM-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340276;MM340276;C=NN(C=N)CCC(C)C;WZTKASXPFIURPA-UHFFFAOYSA-N;141.22;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340277;MM340277;C#CC1(C=C)C=C(C)CN1;UGCTWFZOPWRXRE-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340278;MM340278;C=NN(C=O)CCC(C)C;VJZXZAMGOZDZDK-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340279;MM340279;C#CC1(C#N)C=C(C)CN1;PYJSHEFKWVKXNX-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340280;MM340280;CCCON=COCC=O;LMQSVMRHOLFFQZ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340281;MM340281;C#CC1(C=O)C=C(F)CN1;FELNXJYPWCHEBV-UHFFFAOYSA-N;139.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340282;MM340282;C=CN(C=N)NCC(C)N;ITCOGPYYBUDMGE-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340283;MM340283;C#CC1(C#N)C=C(F)CN1;VZLFTYWTYCTQIS-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340284;MM340284;CC(N)CNN(C=N)C=N;QYXNOQSYRFNGND-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340285;MM340285;C#CC1(C=C)C=C(C)CO1;PBONHVXNVJJORC-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340286;MM340286;CC(N)CNN(C=N)C=O;BAPANSJYQRJSGY-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340287;MM340287;C#CC1(C=O)C=C(C)CO1;QXSKFHLENHJJEF-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340288;MM340288;CC(N)CNN(C=O)C=O;CNOUNDXABQKJPE-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340289;MM340289;C#CC1(C#N)C=C(C)CO1;XPCCZGIJHAIRRV-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340290;MM340290;CC(O)CNN(C=N)C=N;VXMBBGLRIZFJIQ-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340291;MM340291;C#CC1(C=C)C=C(F)CO1;BDHSKEATNOIVKM-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340292;MM340292;O=CCOC=NOCCF;RLLKEFGXOHXKED-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340293;MM340293;C#CC1(C=O)C=C(F)CO1;GWUZMGALBZAXLF-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340294;MM340294;C#CCON=COCC=O;YYAURLPSZLYRAB-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340295;MM340295;C#CC1(C#N)C=C(F)CO1;ZMOZZDOOKNOYAR-UHFFFAOYSA-N;137.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340296;MM340296;C=CN(C=O)NCC(C)F;NVGACHIZSAXTDS-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340297;MM340297;C#CC1(C#C)C=C(C)CC1;HXHIPSCAVVVWPB-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340298;MM340298;N=CN(C=N)NCC(F)F;JGQDZFQOLIXYKA-UHFFFAOYSA-N;150.13;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340299;MM340299;C#CC1(C#C)C=C(F)CC1;SEYZGAFYVURHSR-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340300;MM340300;N=CN(C=O)NCC(F)F;PJHIGJBYODRIEF-UHFFFAOYSA-N;151.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340301;MM340301;C#CC1(C#C)C=C(C)OC1;SWPOOMRIVXELIW-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340302;MM340302;C=CN(C=O)OCC(C)C;GDFGKFIXDDZZSF-UHFFFAOYSA-N;143.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340303;MM340303;C#CC1(C#C)C=C(C)CO1;LJHJJWUEJORUBH-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340304;MM340304;CC(N)CON(C=N)C=N;JIEQUOWCMGDSKZ-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340305;MM340305;C#CC1(C#C)C=C(F)CO1;ILZRBOPKETYBNY-UHFFFAOYSA-N;136.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340306;MM340306;CC(N)CON(C=N)C=O;DMIOJRWDPXNLOE-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340307;MM340307;CCC1(CC)C=CC(C)=C1;OBHAGGDQYUQRDH-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340308;MM340308;C=CN(C=N)OCC(C)O;NUUNCWBHRBRLBW-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340309;MM340309;CCC1(CN)C=CC(C)=C1;GRTVXQWQOZABPV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340310;MM340310;C=CN(C=O)OCC(C)O;WIBYXPOCMXAEMK-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340311;MM340311;C#CCC(O)C=CC=CC;UEHLBGHCAYGBQB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340312;MM340312;CC(O)CON(C=N)C=O;MUCZQFATJCDHOO-UHFFFAOYSA-N;146.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340313;MM340313;CCC1(CF)C=CC(C)=C1;LVYIVWPXAYTMCN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340314;MM340314;CC1=CC(CN)(CN)C=C1;SGLQAPXRYUKCQX-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340315;MM340315;CC(F)CON(C=N)C=O;HHBYAUVRHKFBJQ-UHFFFAOYSA-N;148.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340316;MM340316;CC1=CC(CN)(CO)C=C1;BMWKTYPJXVXSPC-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340317;MM340317;C=CN(C=N)OCC(F)F;RJUNRJXMYKQAPN-UHFFFAOYSA-N;150.13;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340318;MM340318;CC1=CC(CO)(CO)C=C1;STAKYUKQQRXNOO-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340319;MM340319;C=CN(C=O)CCN(C)C;UEMAGDKOSYBYJB-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340320;MM340320;CCC1(CC)C=CC(F)=C1;YWMSSFVKPNUCLR-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340321;MM340321;CN(C)CCN(C=N)C=N;BOXLDUUMVNSMTJ-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340322;MM340322;CCC1(CN)C=CC(F)=C1;XEUURFFHEFABGQ-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340323;MM340323;CN(C)CCN(C=N)C=O;FSXCDSVURXNGSM-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340324;MM340324;NCC1(CN)C=CC(F)=C1;XHJJMKSMKKGZBQ-UHFFFAOYSA-N;142.18;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340325;MM340325;CN(C)CCN(C=O)C=O;SFIKORRWKGWPMK-UHFFFAOYSA-N;144.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340326;MM340326;CCC1(NC)C=CC(C)=C1;VAXHPFYVUALGND-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340327;MM340327;C#CC(C=C)CCC(C)C;HGKHQJLGMLEYIW-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340328;MM340328;CNC1(CN)C=CC(C)=C1;WEDGEFIFSZRTEY-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340329;MM340329;C#CC(C=O)CCC(C)C;PYMIIIAPABSRFS-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340330;MM340330;CNC1(CO)C=CC(C)=C1;IZONRSGMYGJPFO-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340331;MM340331;C#CC(C#N)CCC(C)C;LHGSQMFRAFZVQN-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340332;MM340332;CCC1(NC)C=CC(F)=C1;LRUXGMBXEBMDSK-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340333;MM340333;C#CC(C=C)CCC(C)N;NIKGGKBIOPKRCS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340334;MM340334;CNC1(CN)C=CC(F)=C1;MBBCABWJBBYHAN-UHFFFAOYSA-N;142.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340335;MM340335;N#CC#CCC1CC1CO;MTLQXFMQNBGSRO-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340336;MM340336;COC1(CN)C=CC(C)=C1;ZBDYZJLTDFICGR-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340337;MM340337;C#CC(C#N)CCC(C)O;HJBVKCVJFYGQNZ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340338;MM340338;CCC1(OC)C=CC(F)=C1;GXICCNIRFDEUSS-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340339;MM340339;C#CC(C=C)CCC(C)F;ULZQEIOWAZFPMF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340340;MM340340;COC1(CN)C=CC(F)=C1;QEBSSFSYRPDHRP-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340341;MM340341;C#CC(C#N)CCC(C)F;JTQPRVUONWPOLR-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340342;MM340342;COC1(OC)C=CC(C)=C1;KOLOJXPLFGOVFE-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340343;MM340343;C#CC(C=C)CCC(F)F;LXXGTKXSZLBEMW-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340344;MM340344;C=CC1(CC)C=CC(C)=C1;WOMNPZZBEBFYOG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340345;MM340345;CCC1(C=O)C=CC(C)=C1;GIESKVRZNYRRMY-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340346;MM340346;C#CC(C=C)COC(C)C;JMQUOYZDDDZPCB-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340347;MM340347;CCC1(C#N)C=CC(C)=C1;VWCJYHIIRRGCCX-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340348;MM340348;C#CC(C=O)COC(C)C;ULGNEFZFAOWVEE-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340349;MM340349;C=CC1(CN)C=CC(C)=C1;CXUPGWAUAPWMNL-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340350;MM340350;C#CC(C=C)NCC(C)C;AJUOLSPYDSFARS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340351;MM340351;C=NN=C(C)C(C)CC=O;HAAWHOHOTQNYFR-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340352;MM340352;C#CC(C=C)NCC(F)F;SFHFGKDPKIVSRD-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340353;MM340353;CC1=CC(C=O)(CO)C=C1;LSXBAPGBEGGRDS-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340354;MM340354;C#CC(C=C)CCN(C)C;UODLXVNAQLILED-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340355;MM340355;CC1=CC(C#N)(CO)C=C1;XKGWKTXDOANEBJ-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340356;MM340356;C#CC(C#N)CCN(C)C;ULVQEOQVRGJRMU-UHFFFAOYSA-N;136.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340357;MM340357;CC1=CC(C#N)(CF)C=C1;IXQVSVPQXVDFCI-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340358;MM340358;C#CC(C#C)CCC(C)C;YDVCVMQBSQJGMB-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340359;MM340359;C=CC1(CC)C=CC(F)=C1;BBJNUQGKHOISAY-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340360;MM340360;C#CC(C#C)CCC(C)N;FPJYECRJKIZZCW-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340361;MM340361;CCC1(C=O)C=CC(F)=C1;RGTYCOHTMNYGDO-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340362;MM340362;CCCC#CC1CC1CO;MREDUZSQLIPMSC-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340363;MM340363;CCC1(C#N)C=CC(F)=C1;RTHGNECGBGDGHM-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340364;MM340364;C#CC(C#C)CCC(C)F;PNWNKOGUXCOKHS-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340365;MM340365;C=CC1(CN)C=CC(F)=C1;IPASQPUYFDUWFT-UHFFFAOYSA-N;139.17;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340366;MM340366;C#CC(C#C)CNC(C)C;BAVICOMLNIPZOH-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340367;MM340367;C=CC1(CO)C=CC(F)=C1;ZRAAGUFJJYNBTK-UHFFFAOYSA-N;140.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340368;MM340368;C#CC(C#C)COC(C)C;QGIHZXHZWBNELR-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340369;MM340369;N#CC1(CO)C=CC(F)=C1;CIWBYLSJQOCYCT-UHFFFAOYSA-N;139.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340370;MM340370;C#CC(C#C)OCC(C)O;ITHGQDLQKSZRRO-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340371;MM340371;CNC1(C#N)C=CC(C)=C1;DATMLHQOPOJDBT-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340372;MM340372;C#CC(C#C)CCN(C)C;WZLAFQUWGJWWLL-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340373;MM340373;C=C(C)CCC(CC)CC;MVQBCULUUVGZKR-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340374;MM340374;CNC1(C#N)C=CC(F)=C1;OBQDKTWGMLOWQI-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340375;MM340375;C=CC1(OC)C=CC(C)=C1;FSIHOFKHGAPZRN-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340376;MM340376;C=CC=CC(C)O;VAOJQRMYAXTUQI-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340377;MM340377;COC1(C#N)C=CC(C)=C1;RFVNIJAWARMELK-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340378;MM340378;C=C(C)CCC(CC)CF;UXKNVAPZFWUUAO-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340379;MM340379;C=C(C)CCC(CN)CF;AVAUDTPJXPFYRT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340380;MM340380;C=CC1(OC)C=CC(F)=C1;KQRNPHOIYIHBHN-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340381;MM340381;C=C(C)CCC(CO)CO;TXBNSYYCXCKIPD-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340382;MM340382;COC1(C#N)C=CC(F)=C1;NVASALOIOZBQIY-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340383;MM340383;C=C(C)CCC(CF)CF;DWAQLGDPOMXFMV-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340384;MM340384;C#CC1(CC)C=CC(C)=C1;OVFMLXFZKLLRAO-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340385;MM340385;CCC(CC)CCC(C)=O;PUSNNUWKZGXMOB-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340386;MM340386;C#CC1(CN)C=CC(C)=C1;GHKCWFWNLHJWOS-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340387;MM340387;Cn1nnnc1N;GTKOKCQMHAGFSM-UHFFFAOYSA-N;99.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340388;MM340388;C=C(CC=O)C(C)=NOC;UARFOTOQQVAYQR-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340389;MM340389;CC(=O)CCC(CF)CF;DSBYQKZFSKEMII-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340390;MM340390;C#CC1(CF)C=CC(C)=C1;VYEOUMOIUWDBFK-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340391;MM340391;CCC(CC)CCC(=N)N;GXJVBWIBAITXAI-UHFFFAOYSA-N;142.25;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340392;MM340392;C#CC1(CC)C=CC(F)=C1;DVEKEBGGLNENKB-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340393;MM340393;CCC(CF)CCC(=N)N;FRFFWQCNDTZVHV-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340394;MM340394;C#CC1(CN)C=CC(F)=C1;AXAMVZALKRJAGH-UHFFFAOYSA-N;137.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340395;MM340395;OCCC1CCC1;KUARIPXRZDVUJO-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340396;MM340396;C#CC1(CO)C=CC(F)=C1;SSANCAVTDLJEOA-UHFFFAOYSA-N;138.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340397;MM340397;NCC(CN)CCC(N)=O;RGFOYCFDIJIUCU-UHFFFAOYSA-N;145.21;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340398;MM340398;C#CC1(CF)C=CC(F)=C1;XZIWAMWKGITGRH-UHFFFAOYSA-N;140.13;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340399;MM340399;CCC(CC)CCC(=O)O;KJYXVWHRKCNYKU-UHFFFAOYSA-N;144.21;2.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340400;MM340400;C#CC1(OC)C=CC(C)=C1;DYNWEDAJPDLZNF-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340401;MM340401;CC1(C(=O)O)CN1C=O;DRFVPAJQINSFSP-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340402;MM340402;C#CC1(OC)C=CC(F)=C1;LHACNVQBTMYFTL-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340403;MM340403;CCC(CF)CCC(=O)O;ZIGWZQSAHNJPCS-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340404;MM340404;C=CC1(C=C)C=CC(C)=C1;NTEOZCGZFMDMPG-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340405;MM340405;C#Cc1nocc1O;ZUFBTSYPBCNWIY-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340406;MM340406;C=CC1(C=O)C=CC(C)=C1;YITSLHSHJFCKCL-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340407;MM340407;C=C(F)CCC(CC)CC;IWXYJMXGUOSNHM-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340408;MM340408;C=CC1(C#N)C=CC(C)=C1;FNOLSJYIDGJHAA-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340409;MM340409;C=C(F)CCC(CC)CN;KVAZVKXKWYDBBS-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340410;MM340410;CC1=CC(C=O)(C=O)C=C1;QOOYFNFGSFJTOR-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340411;MM340411;CC=CC=CC(C)O;HOYTUZSQPWVIAK-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340412;MM340412;CC1=CC(C#N)(C=O)C=C1;DCONRBOZQRABCH-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340413;MM340413;C=C(F)CCC(CN)CF;JHKJTVMRFFBODL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340414;MM340414;CC1=CC(C#N)(C#N)C=C1;KWFUHAMAIGPBBH-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340415;MM340415;C=C(F)CCC(CO)CO;QRUPTECUOSCAGB-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340416;MM340416;C=CC1(C=C)C=CC(F)=C1;UPRWOKWHSBQVBY-UHFFFAOYSA-N;136.17;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340417;MM340417;C=C(F)CCC(CO)CF;NMCMKYOBUZJTBB-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340418;MM340418;C=CC1(C=O)C=CC(F)=C1;JKGMUXXCGPLZNF-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340419;MM340419;C=C(F)CCC(CF)CF;DUDXEUWWLGZTRB-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340420;MM340420;C=CC1(C#N)C=CC(F)=C1;KCRNWWRIDMGIFS-UHFFFAOYSA-N;135.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340421;MM340421;C=C(C)CCC(CC)NC;DROGXTKHYMBWLF-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340422;MM340422;O=CC1(C=O)C=CC(F)=C1;QUEJSJHUJAQHTQ-UHFFFAOYSA-N;140.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340423;MM340423;N#CC1(C=O)C=CC(F)=C1;FJLINEHIRILZRF-UHFFFAOYSA-N;137.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340424;MM340424;C=C(C)CCC(CF)NC;LGKMMAOCVVARMI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340425;MM340425;N#CC1(C#N)C=CC(F)=C1;KRBSGEUJURHTDF-UHFFFAOYSA-N;134.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340426;MM340426;CCC(CCC(C)=O)NC;WLGRJCBIPBCJSB-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340427;MM340427;C#CC1(C=C)C=CC(C)=C1;MJJZVTTXPPQFFF-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340428;MM340428;CNC(CN)CCC(=N)N;RKHOSYZRENEMGA-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340429;MM340429;C#CC1(C=O)C=CC(C)=C1;UYADSKQXXNXWLL-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340430;MM340430;CNC(CO)CCC(=N)N;YDRXYIHDMNVWAU-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340431;MM340431;C#CC1(C#N)C=CC(C)=C1;FRAVGOVCVSCPTI-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340432;MM340432;CNC(CF)CCC(=N)N;FMXSSUHZUGEPTC-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340433;MM340433;C#CC1(C=C)C=CC(F)=C1;CLZSKYHKIHSDRN-UHFFFAOYSA-N;134.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340434;MM340434;CNC(CO)CCC(N)=O;HQIQMAZNBSBLKD-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340435;MM340435;C#CC1(C=O)C=CC(F)=C1;LWVHGMPMVGWDIK-UHFFFAOYSA-N;136.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340436;MM340436;C=C(F)CCC(CC)NC;HNOURGQVKXFVKU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340437;MM340437;C#CC1(C#N)C=CC(F)=C1;DTPPBJTTYUINDF-UHFFFAOYSA-N;133.13;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340438;MM340438;C=C(F)CCC(CF)NC;ZWMXTSHYSNMZRI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340439;MM340439;C#CC1(C#C)C=CC(C)=C1;IXQUTYXZKFUBDZ-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340440;MM340440;C=C(C)CCC(CC)OC;WBAQCNMIPMYCCE-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340441;MM340441;C#CC1(C#C)C=CC(F)=C1;NTTQMQYLHRZCHC-UHFFFAOYSA-N;132.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340442;MM340442;C=C(C)CCC(CN)OC;FKPYEGSKBQFUFZ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340443;MM340443;CC(C)C(C)C1(CN)CC1;IAJXZGVYEXLJKS-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340444;MM340444;C=C(C)CCC(CO)OC;ALDSPMSOKYDORK-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340445;MM340445;C=C(C)C(=C)C(=CC)CO;HFFUEUJHRHKHLV-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340446;MM340446;CCC(CCC(C)=O)OC;YOXDRTIWMLLTTQ-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340447;MM340447;CCC(CCC(=N)N)OC;RLPVCUOCJWTSPE-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340448;MM340448;C=CC(CO)=C(C)C(=C)C;SAEVGHXVQIMBRP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340449;MM340449;COC(CO)CCC(=N)N;BCUBAXOELNKTIJ-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340450;MM340450;CC(N)C(C)C1(CN)CN1;XGMAREJTFBPZKM-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340451;MM340451;COC(CF)CCC(=N)N;OLVQKXCBUKHGTM-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340452;MM340452;C=CC1(C(C)C(C)C)CC1;YSVPLFBZXPSNCZ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340453;MM340453;COC(CN)CCC(N)=O;IPRKGONIRHCCCT-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340454;MM340454;CC(C)C(C)C1(C=O)CC1;QSKJIRKDOOASFP-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340455;MM340455;COC(CO)CCC(N)=O;QKQUTMJVUPEAKS-UHFFFAOYSA-N;147.17;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340456;MM340456;CC(O)C(C)C1(C=O)CC1;VOHTZCALFPGNJI-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340457;MM340457;Cn1c(O)nn(C=N)c1=O;IHPZEPKBELWPQM-UHFFFAOYSA-N;142.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340458;MM340458;C=CC1(C(C)N(C)C)CC1;YLFBMQRIDCEAKK-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340459;MM340459;C=C(F)CCC(CC)OC;WMZHQFHVTJFLKL-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340460;MM340460;C=CC1(C(C)C(C)C)CO1;XMNYNHLVSOYNGR-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340461;MM340461;C=C(F)CCC(CN)OC;FAMGLJHHSDUXOY-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340462;MM340462;C#CC1(C(C)C(C)N)CC1;JNISRCHBEATIRA-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340463;MM340463;C=C(F)CCC(CF)OC;SDRBZVNQRBSNJM-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340464;MM340464;C#CC1(C(C)C(C)N)CN1;ZOFZELPGGNDTKN-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340465;MM340465;C=C(C)CCC(OC)OC;KNHBVXSMXKAEOY-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340466;MM340466;C#CC1(C(C)C(C)F)CN1;PESMVVPZJGMWAY-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340467;MM340467;CCC(CC)CNC(C)=N;JLXCUQAONGPQGD-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340468;MM340468;C#CC1(C(C)C(C)C)CO1;IWKMZABSAXZEGF-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340469;MM340469;CCC(CN)CNC(C)=N;NWDRYCZVTAMVIH-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340470;MM340470;C=C(C)C(C)C1(CC)CC1;BFJOCZAMJUWGBR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340471;MM340471;CCC(CF)CNC(C)=N;WGNYDEVNKBLGGE-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340472;MM340472;C=C(C)C(C)C1(CN)CC1;OJXLBNQZOAKMAX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340473;MM340473;CC(=N)NCC(CN)CN;KBKFVQACQVBKBU-UHFFFAOYSA-N;144.22;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340474;MM340474;CCC1(C(C)C(C)=O)CC1;DQDDLDORXWLOFO-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340475;MM340475;CC(=N)NCC(CN)CO;MAKGZVFRVXGWEX-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340476;MM340476;CC(=O)C(C)C1(CO)CC1;TXXUISRUKPPEGI-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340477;MM340477;CC(=N)NCC(CN)CF;WXZAIIJZGRXIJX-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340478;MM340478;CCC1(C(C)C(=N)N)CC1;AJLXDNUGOMPZTB-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340479;MM340479;CC(O)C=CC=CF;WLGFPXMGEUPDDN-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340480;MM340480;CC(C(=N)N)C1(CN)CC1;YCSAUBHTMBKNJF-UHFFFAOYSA-N;141.22;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340481;MM340481;CCC(CN)CNC(C)=O;YNLSXTSHVJJUES-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340482;MM340482;CC(C(=N)N)C1(CO)CC1;BJDHBAZUXSXBAT-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340483;MM340483;C=C(F)C(C)C1(CC)CC1;AAYGNCNCJUWODU-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340484;MM340484;CC(=O)NCC(CN)CN;QGLGDBSTGRUOCY-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340485;MM340485;C=C(F)C(C)C1(CN)CC1;NYIAVLPZOMZJEE-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340486;MM340486;CC(=O)NCC(CN)CO;ALGRHSGOSYJLBU-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340487;MM340487;CC(=O)NCC(CN)CF;MXUFVZMIMNSGRW-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340488;MM340488;CCC1(N(C)C(C)=N)CC1;ZUKXOBPUUVNYKI-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340489;MM340489;CC(=O)NCC(CO)CO;TZFYEZCVMJGZBG-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340490;MM340490;C=C(C)C(C)C1(CN)CN1;QHOQOTOBFHTKIV-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340491;MM340491;CCC(CC)CNC(=N)N;SFBDVUPBWYFVOG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340492;MM340492;CCC1(C(C)C(=N)N)CN1;GMXZFOAJVJSOMD-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340493;MM340493;CCC(CN)CNC(=N)N;QKOJPHYOUILSJO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340494;MM340494;C=C(C)C(C)C1(C=O)CC1;UPRJULKTJPCYAZ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340495;MM340495;CCC(CO)CNC(=N)N;ZSCXDYBKBDXHBJ-UHFFFAOYSA-N;145.21;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340496;MM340496;C=C(C)C(C)C1(C#N)CC1;KIXAFKNRPRGKJE-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340497;MM340497;CCC(CF)CNC(=N)N;VBIAEKPDUZPZAL-UHFFFAOYSA-N;147.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340498;MM340498;CC(C(=N)N)C1(C#N)CC1;GYURSVNWVONWRS-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340499;MM340499;N=C(N)NCC(CN)CN;CWJCSFWSRUZDTO-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340500;MM340500;C=C(F)C(=N)NN=COC;ZZHWRSKKOVTCLB-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340501;MM340501;CCC(CC)CNC(N)=O;BWDUQSHHRCRWLO-UHFFFAOYSA-N;144.22;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340502;MM340502;C=C(F)C(C)C1(C#N)CC1;SPUVTEYEEFWVPC-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340503;MM340503;CCC(CN)CNC(N)=O;FICKZZVQAPVIDD-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340504;MM340504;CC(=N)N(C)C1(C#N)CC1;DTFMOMFKIBKOEA-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340505;MM340505;CCC(CO)CNC(N)=O;KIEJEDMWEVTTHR-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340506;MM340506;C=C(C)C(C)C1(C=O)CN1;FVSPSYWVODGQCE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340507;MM340507;CCC(CF)CNC(N)=O;BTLVVESQWATTGH-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340508;MM340508;C#CC1(C#C)CC(CO)C1;UUHRCDXEJDPVSC-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340509;MM340509;NCC(CN)CNC(N)=O;OKWKRUIJRRVOOX-UHFFFAOYSA-N;146.19;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340510;MM340510;CC(C(=N)N)C1(C#N)CN1;WZDBGCSHVSCAGA-UHFFFAOYSA-N;138.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340511;MM340511;NC(=O)NCC(CO)CF;ZORSZRQWBZLAQT-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340512;MM340512;C=CC1(C(C)C(=C)C)CO1;BSYKWUHGPJRSEU-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340513;MM340513;CNC(CN)CNC(C)=N;UJWPDNHEWKRAKN-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340514;MM340514;C=C(C)C(C)C1(C#N)CO1;CVLDVFVWAFDFGQ-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340515;MM340515;CNC(CF)CNC(C)=N;YVSAISFGNGMQGX-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340516;MM340516;CC(C(=N)N)C1(C#N)CO1;BIOQTRQYCPYBDG-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340517;MM340517;CNC(CN)CNC(C)=O;VWLQOSGFULXAMG-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340518;MM340518;C#CC1(C(C)C(=C)C)CC1;GZHDFVWLUMWQIH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340519;MM340519;CNC(CO)CNC(C)=O;KDUUSKFEEBXXLQ-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340520;MM340520;C#CC1(C(C)C(C)=O)CC1;FGBCAUOBBOZARX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340521;MM340521;CCC(CNC(=N)N)NC;RZOVZXKPCJSIOD-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340522;MM340522;C#CC1(C(C)C(=N)N)CC1;NBIYPDNTYOFURH-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340523;MM340523;CNC(CN)CNC(=N)N;KDEMOFFKYQZYCU-UHFFFAOYSA-N;145.21;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340524;MM340524;C#CC1(C(C)C(N)=O)CC1;OHMRTHHVVQZOGF-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340525;MM340525;CCC(CNC(N)=O)NC;ZHTYHMVRROSVAP-UHFFFAOYSA-N;145.21;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340526;MM340526;C#CC1(N(C)C(C)=N)CC1;JGDISJBUUFJNFN-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340527;MM340527;CNC(CN)CNC(N)=O;XQSIPTZRFZXBBK-UHFFFAOYSA-N;146.19;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340528;MM340528;C=CC(C)(C)C1CC1CO;YTZSIDXKFOTECZ-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340529;MM340529;CNC(CO)CNC(N)=O;WYLMAENHORDWJM-UHFFFAOYSA-N;147.18;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340530;MM340530;C=CC(O)C(C)C#CCF;KGINHJSSORXIBS-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340531;MM340531;CCC(CNC(C)=N)OC;TVNMNDJHMKUDAE-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340532;MM340532;C#CC1(C(C)C(=C)C)CO1;DNMFOIUYMZYNCI-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340533;MM340533;COC(CO)CNC(C)=N;MXCDMENMPUWSDS-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340534;MM340534;C#CC1(C(C)C(C)=O)CO1;IXCKFRVPWYWZHV-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340535;MM340535;CCC(CNC(C)=O)OC;RRNOARJXKFEMKQ-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340536;MM340536;C#CC1(C(C)C(=N)N)CO1;MRSJRCPUNMQLNF-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340537;MM340537;COC(CN)CNC(C)=O;HNPJVLBTLPTTDK-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340538;MM340538;CCC(C)CC1(CC)CC1;ZTISPKKPAFVWLL-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340539;MM340539;COC(CO)CNC(C)=O;JSOUWVXQYCFXCV-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340540;MM340540;CCC1(CC(C)CN)CC1;DGEFGBXJTHCOKI-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340541;MM340541;COC(CF)CNC(C)=O;KUHDKBLDJNKFJF-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340542;MM340542;C#CC(C)C(C=C)CCO;JICSOWAROHSYDV-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340543;MM340543;COC(CN)CNC(=N)N;BYZVJAITYUCAFT-UHFFFAOYSA-N;146.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340544;MM340544;CCC1(CC(C)CF)CC1;KOEGEBRVLZVAIO-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340545;MM340545;COC(CO)CNC(=N)N;QPFLDYNPVSZQJZ-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340546;MM340546;CCC(C)CC1(CN)CC1;YMTSQMYNYAGNSE-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340547;MM340547;COC(CN)CNC(N)=O;QHTMOOACGZTJBO-UHFFFAOYSA-N;147.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340548;MM340548;CC(CN)CC1(CN)CC1;MSNFJVBWUQMDSG-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340549;MM340549;COC(CO)CNC(N)=O;AZXMVVAXTDLDAM-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340550;MM340550;CC(CO)CC1(CN)CC1;QABYMVNVHKYTHK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340551;MM340551;COC(CF)CNC(N)=O;NOSAWWRWGAMFRO-UHFFFAOYSA-N;150.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340552;MM340552;CC(CF)CC1(CN)CC1;UWMLMKKOMWIVAX-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340553;MM340553;COC(CNC(C)=N)OC;TXZIYKVIZYORDW-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340554;MM340554;C#CC(=C)C(C=C)CCO;KDOZOYCXYLENRI-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340555;MM340555;COC(CNC(=N)N)OC;BKEQOIBLBUCKRZ-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340556;MM340556;CC(CN)CC1(CO)CC1;WAFWVXYPOPEDQH-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340557;MM340557;COC(CNC(N)=O)OC;NBWCUGCUILLCCN-UHFFFAOYSA-N;148.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340558;MM340558;C=NOC(C=O)OCC=O;LYEHXOUGRJUOCY-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340559;MM340559;C=C(C)OCC(CC)CC;SADVMSLZTYJZGK-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340560;MM340560;C#CC(C=O)CCON=C;FODRBERAVDLSRK-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340561;MM340561;C=C(C)OCC(CC)CN;MUVVQSYVUIPIBL-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340562;MM340562;CCC(C)CC1(CF)CC1;VFCPHLPAXOKHBX-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340563;MM340563;C=C(C)OCC(CC)CO;XDLOCYJYBPMHPC-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340564;MM340564;CC(CN)CC1(CF)CC1;HNBJMJFDNAHUBI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340565;MM340565;C=C(C)OCC(CC)CF;BDUJTJNZEXMETH-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340566;MM340566;CC=NOCC(C=O)CC;LZQFWOKSNGRFTM-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340567;MM340567;C=C(C)OCC(CN)CN;SNDUKKGVLBRCTH-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340568;MM340568;CC(CF)CC1(CF)CC1;DTTHIVVDWMGFNY-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340569;MM340569;C=C(C)OCC(CO)CF;OLJVRZXCMQTUSY-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340570;MM340570;CCC(N)CC1(CC)CC1;OZTMOYJQHXEUBP-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340571;MM340571;CCC(CC)COC(C)=O;HQLKZWRSOHTERR-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340572;MM340572;CCC1(CC(N)CN)CC1;ZVIJGPFXYQUMTC-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340573;MM340573;CCC(CO)COC(C)=O;WTGACPCFCAQMNJ-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340574;MM340574;CCC1(CC(N)CO)CC1;DGRXBVSFHYTWTA-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340575;MM340575;CC(=O)OCC(CN)CN;HNGJAFCNEVTADK-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340576;MM340576;CCC(N)CC1(CN)CC1;YNJWXQYTKHVBQV-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340577;MM340577;CC(=O)OCC(CO)CO;DIIKCHYOJHXRNE-UHFFFAOYSA-N;148.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340578;MM340578;NCC(N)CC1(CN)CC1;GYRIELAWGKWOMA-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340579;MM340579;CCC(CN)COC(=N)N;LYZRLPOVDWLODE-UHFFFAOYSA-N;145.21;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340580;MM340580;NCC1(CC(N)CO)CC1;QHZWCFLDORLSKM-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340581;MM340581;CCC(CO)COC(=N)N;FXTNWHCNZRWOPX-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340582;MM340582;NCC1(CC(N)CF)CC1;NZWBZFWLLLEOBQ-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340583;MM340583;CCC(CF)COC(=N)N;KPWOURLCENYXGR-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340584;MM340584;CCC(N)CC1(CO)CC1;RGUWDYARZNFKLA-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340585;MM340585;N=C(N)OCC(CN)CN;WHVWOEBMSIZNGV-UHFFFAOYSA-N;146.19;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340586;MM340586;NCC(N)CC1(CO)CC1;AWMBXZLIBVGOML-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340587;MM340587;N=C(N)OCC(CN)CF;FJYQEGMYKLOFGE-UHFFFAOYSA-N;149.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340588;MM340588;NC(CF)CC1(CO)CC1;OQSAASWRPALVKQ-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340589;MM340589;N=C(N)OCC(CO)CO;RTQZCZQERZVMAN-UHFFFAOYSA-N;148.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340590;MM340590;CCC(N)CC1(CF)CC1;LCFJYXULQCSSHB-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340591;MM340591;N=C(N)OCC(CF)CF;CRHHXVPZZWOZQZ-UHFFFAOYSA-N;152.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340592;MM340592;NCC(N)CC1(CF)CC1;VKSBTJXOUWAUML-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340593;MM340593;CCC(CC)COC(N)=O;IACWDLHSJCOUGC-UHFFFAOYSA-N;145.2;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340594;MM340594;NC(CF)CC1(CF)CC1;SLBCFWXOKLPRMB-UHFFFAOYSA-N;149.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340595;MM340595;CCC(CN)COC(N)=O;BMQYMSCGYNJLMY-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340596;MM340596;CC1=CC(C=O)C=CC1O;JMWAQLLPKQQIOG-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340597;MM340597;NCC(CN)COC(N)=O;YTMBPCRILXSHBC-UHFFFAOYSA-N;147.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340598;MM340598;CCC(O)CC1(CN)CC1;IQGIZJRWAXJXIY-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340599;MM340599;NCC(CF)COC(N)=O;WDGRTBZQJGGTPO-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340600;MM340600;NCC(O)CC1(CN)CC1;KDPGDMXKBRYJIQ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340601;MM340601;NC(=O)OCC(CF)CF;ICXANIPGOPTAPZ-UHFFFAOYSA-N;153.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340602;MM340602;NCC1(CC(O)CO)CC1;XENNKFLSPKABHY-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340603;MM340603;NCC1(CC(O)CF)CC1;VKTRKALQOIPAJJ-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340604;MM340604;C=C(C)OCC(CC)NC;XHPLLEJIAMKDRP-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340605;MM340605;CCC(O)CC1(CO)CC1;ZSEBKFYVWGNRKF-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340606;MM340606;C=C(C)OCC(CN)NC;UMJLJIWKEKYLQU-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340607;MM340607;CCC(O)CC1(CF)CC1;WBYANEQCWTUZOY-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340608;MM340608;CNC(CN)COC(C)=O;SIAKGZIDRIYHOD-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340609;MM340609;CCC(F)CC1(CC)CC1;RLIDENWGDYWYOK-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340610;MM340610;CNC(CO)COC(C)=O;UNFDBNGIXRRIMW-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340611;MM340611;CCC1(CC(F)CN)CC1;TYIOMYRXNDNWBT-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340612;MM340612;CCC(COC(=N)N)NC;OYLDYHUNTDRNBZ-UHFFFAOYSA-N;145.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340613;MM340613;CCC1(CC(F)CO)CC1;NLDMWYKMJVPCEN-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340614;MM340614;CNC(CN)COC(=N)N;YNCODSDFQFLDCA-UHFFFAOYSA-N;146.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340615;MM340615;CCC1(CC(F)CF)CC1;WRSOIUNZSIRXNU-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340616;MM340616;CNC(CF)COC(=N)N;HERMQCUMZCBJDK-UHFFFAOYSA-N;149.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340617;MM340617;CCC(F)CC1(CN)CC1;LWRSCQYVIXOCKF-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340618;MM340618;CCC(COC(N)=O)NC;UTDMUARUKXIGSQ-UHFFFAOYSA-N;146.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340619;MM340619;NCC(F)CC1(CN)CC1;WISVILIRHSSHAA-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340620;MM340620;CNC(CN)COC(N)=O;NCSKAIQCZGNRIW-UHFFFAOYSA-N;147.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340621;MM340621;NCC1(CC(F)CO)CC1;UTARSUZSGKZFMS-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340622;MM340622;CNC(CO)COC(N)=O;PKUMZIAWYBLWOQ-UHFFFAOYSA-N;148.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340623;MM340623;CCC(F)CC1(CO)CC1;NPVCOXROCCDBAA-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340624;MM340624;C=C(C)OCC(CC)OC;ZCBXWSXJZYJIQW-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340625;MM340625;OCC(F)CC1(CO)CC1;OWOLVNLKGWEIAZ-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340626;MM340626;C=C(C)OCC(CO)OC;OMESELUDWYIFOW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340627;MM340627;CCC(F)CC1(CF)CC1;JJMDCRAIPVPUJR-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340628;MM340628;CCC(COC(C)=O)OC;ZWUWDFWEMWMTHX-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340629;MM340629;CCC1(CC(C)NC)CC1;PUQNOIYKYJGBPM-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340630;MM340630;COC(CN)COC(C)=O;VDZFSZNTSYYEPB-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340631;MM340631;CNC(C)CC1(CN)CC1;HNDRHXRXUVANGT-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340632;MM340632;COC(CO)COC(C)=O;HRNRNKPTWVUKBB-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340633;MM340633;CNC(C)CC1(CO)CC1;YWGGRFHHMKNWKM-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340634;MM340634;COC(CN)COC(=N)N;KRNHMALOQCGDQO-UHFFFAOYSA-N;147.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340635;MM340635;CNC(C)CC1(CF)CC1;AYEKYAKOJUFIFL-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340636;MM340636;COC(CO)COC(=N)N;KRWHEAKVKYJBFQ-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340637;MM340637;CCC1(CC(C)OC)CC1;YRFGLONBWARQNV-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340638;MM340638;COC(CN)COC(N)=O;KUXCUDIYYGYKMK-UHFFFAOYSA-N;148.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340639;MM340639;COC(C)CC1(CN)CC1;VVVOZEKHARUNFD-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340640;MM340640;COC(CO)COC(N)=O;SNSQQKZPUGHVFB-UHFFFAOYSA-N;149.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340641;MM340641;COC(C)CC1(CO)CC1;SCKDJBBGHCPJDK-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340642;MM340642;COC(COC(C)=O)OC;CVFNMMJJZBWXQP-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340643;MM340643;COC(C)CC1(CF)CC1;ZPRCGUZVCDWEAB-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340644;MM340644;COC(COC(=N)N)OC;WYSPUMNOWYNEMC-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340645;MM340645;CCC(C)CC1(NC)CC1;CNSVGFAYKOBWDE-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340646;MM340646;C=C(C)CNC(CC)CC;YERZAKZCQNEZLN-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340647;MM340647;CNC1(CC(C)CN)CC1;WIWXRQMTGRKQRP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340648;MM340648;C=C(C)CNC(CC)CN;YAGBZNGFAVHRTB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340649;MM340649;CNC1(CC(C)CO)CC1;ZWADMIZWYWDDKO-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340650;MM340650;C=C(C)CNC(CC)CF;PIPXSYCAXHDWMV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340651;MM340651;CNC1(CC(C)CF)CC1;HXSZSIMXZJCGAA-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340652;MM340652;C=C(C)CNC(CN)CN;NZYNKZAVTHCNRK-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340653;MM340653;CCC(N)CC1(NC)CC1;VIFIZKQILOCANK-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340654;MM340654;C=C(C)CNC(CN)CF;SJRLMXPIRIVZHB-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340655;MM340655;CNC1(CC(N)CF)CC1;OGPFAFNQFQHZOT-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340656;MM340656;CCC(CC)NCC(C)=O;XSNVREMHLZTONW-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340657;MM340657;CCC(O)CC1(NC)CC1;YDZLOBXQTKQPNT-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340658;MM340658;CCC(CC)NCC(=N)N;XCIRJXCBWJWLPF-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340659;MM340659;CNC1(CC(O)CN)CC1;CMWBLFXEJMSUPP-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340660;MM340660;CCC(CN)NCC(=N)N;NXMAWIFOUQEZIN-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340661;MM340661;CNC1(CC(O)CO)CC1;PYBXABVULSPBRY-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340662;MM340662;CCC(CO)NCC(=N)N;QLINPYMFQIQYHW-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340663;MM340663;CCC(F)CC1(NC)CC1;ONDJPKVYGWWIMK-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340664;MM340664;CCC(CF)NCC(=N)N;SWJSJGANYMXASL-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340665;MM340665;CNC1(CC(F)CN)CC1;UIOWFMFWQIGGJY-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340666;MM340666;N=C(N)CNC(CN)CN;ZNCPGVKYVDJWSO-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340667;MM340667;CNC1(CC(F)CO)CC1;YWMKBBJJEJNULH-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340668;MM340668;N=C(N)CNC(CN)CO;WGLZTUDZKCDOSF-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340669;MM340669;CNC1(CC(F)CF)CC1;ZLGUWWNUBYMSFA-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340670;MM340670;N=C(N)CNC(CO)CO;WELJLBNCQDOBFN-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340671;MM340671;CNC(C)CC1(NC)CC1;DBIRZYGOVNDSOW-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340672;MM340672;CCC(CC)NCC(N)=O;HQTAORYYPFVQRG-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340673;MM340673;CNC1(CC(C)OC)CC1;SDGWOAIFKHRXIB-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340674;MM340674;CCC(CN)NCC(N)=O;LGKBEJLITQMXDD-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340675;MM340675;CCC(C)CC1(OC)CC1;IHNRUSLJHNVXAL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340676;MM340676;CCC(CO)NCC(N)=O;LIPYCCNKPXWTFE-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340677;MM340677;COC1(CC(C)CN)CC1;AZFISJZKMOJMEN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340678;MM340678;NCC(CN)NCC(N)=O;MSQYGOASURWPHW-UHFFFAOYSA-N;146.19;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340679;MM340679;CCC(N)CC1(OC)CC1;DCGUTBVLTNZCPM-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340680;MM340680;C=C(F)CNC(CN)CF;SJBGUNYYXKAUIJ-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340681;MM340681;COC1(CC(N)CO)CC1;UAPZPIJCACRJDR-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340682;MM340682;CCC(CC)NNC(C)=N;GNWLKTGLOSKTBL-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340683;MM340683;COC1(CC(N)CF)CC1;SXCNTYFBDISTBO-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340684;MM340684;CCC(CO)NNC(C)=N;AKVGCZXHRBSKPW-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340685;MM340685;CCC(O)CC1(OC)CC1;LCNKFIOKVLXWMT-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340686;MM340686;CC1CC(CCO)C1;WWYMNOMSOYBMKU-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340687;MM340687;COC1(CC(O)CN)CC1;MWUCJWSJVOVZJI-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340688;MM340688;CCC(CN)NNC(C)=O;CKINKZHKAUMWAP-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340689;MM340689;COC1(CC(O)CO)CC1;OSMUBGAGWVZLGL-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340690;MM340690;OCCC1CC(O)C1;AOZPKTJADDAXRO-UHFFFAOYSA-N;116.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340691;MM340691;CCC(F)CC1(OC)CC1;JDXPFEXWXYDDNG-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340692;MM340692;OCCC1CC(F)C1;RCUJDBMUOIUPDU-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340693;MM340693;COC1(CC(F)CN)CC1;QZZWBUGUWDBCML-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340694;MM340694;N=C(N)NNC(CN)CN;UIVMKXNLDJEQKE-UHFFFAOYSA-N;146.2;-2.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340695;MM340695;CNC(C)CC1(OC)CC1;SKJHUAZIDDEFLJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340696;MM340696;N=C(N)NNC(CN)CO;MSNWYQKETLGFLJ-UHFFFAOYSA-N;147.18;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340697;MM340697;COC(C)CC1(OC)CC1;NUBZSAPKQNRTEG-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340698;MM340698;N=C(N)NNC(CN)CF;SQPHFYPOWYNGLP-UHFFFAOYSA-N;149.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340699;MM340699;CCC(C)NC1(CC)CC1;JQNZHIYSDWBACF-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340700;MM340700;CC#CC1CC1CO;CCGGAEJKRILZBU-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340701;MM340701;CCC1(NC(C)CN)CC1;YUWRIARLQXBGRC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340702;MM340702;CCC(CN)NNC(N)=O;FVLFGNNGHBQGIY-UHFFFAOYSA-N;146.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340703;MM340703;CCC1(NC(C)CO)CC1;RRGUNUPYPVDJNT-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340704;MM340704;NCC(CO)NNC(N)=O;XRPPHZHNJAFKGF-UHFFFAOYSA-N;148.17;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340705;MM340705;CCC(C)NC1(CN)CC1;SOMRMQFIGQNQGF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340706;MM340706;C=Cc1ncoc1N;INNUOQNPAJYOEC-UHFFFAOYSA-N;110.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340707;MM340707;CC(CN)NC1(CN)CC1;NUONIVGKSWZUEI-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340708;MM340708;C=C(C)COC(CN)CN;USXSLIYXECEKLZ-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340709;MM340709;CC(CO)NC1(CN)CC1;YIBLRGMZXQFIIT-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340710;MM340710;CCC(CO)OCC(C)=O;DICCXZOREPYPSZ-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340711;MM340711;CC(CF)NC1(CN)CC1;SXXJOVLCXNQSTO-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340712;MM340712;CCC(CC)OCC(=N)N;FUHCLDJPBJBGLX-UHFFFAOYSA-N;144.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340713;MM340713;CC(CN)NC1(CO)CC1;IEYCYCGBTYYFKT-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340714;MM340714;N=C(N)COC(CO)CO;AZVBGKHOZBKCMR-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340715;MM340715;CC(CO)NC1(CO)CC1;HILLNYSHKKCJDX-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340716;MM340716;CCC(CC)OCC(N)=O;SRMONUSLZYMUFS-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340717;MM340717;NC(=O)COC(CO)CO;CSTDREPQCBUSQT-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340718;MM340718;CCC(C)NC1(CF)CC1;UDGXSBNSIJZHFR-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340719;MM340719;N=c1nc(O)[nH]nnc1=O;KPABCZLDDYKLJX-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340720;MM340720;CCC(C)OC1(CC)CC1;GPZJNHPJRGWKET-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340721;MM340721;COC(=NN)OCC(=O)O;USSRQZSXJKQSQY-UHFFFAOYSA-N;148.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340722;MM340722;CCC1(OC(C)CN)CC1;OPRXNPKLVPJHLN-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340723;MM340723;C=C(F)COC(CO)CO;AVYNRVHTUFINQV-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340724;MM340724;CCC1(OC(C)CO)CC1;FTEQCYXHBFUMEF-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340725;MM340725;C=C(C)COC(CC)OC;YSGFBFJCJRMAOP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340726;MM340726;CCC1(OC(C)CF)CC1;LJCNXAJSJOHQEV-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340727;MM340727;C=C(C)COC(CF)OC;OHLUKMSKNICDBT-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340728;MM340728;CCC(C)OC1(CN)CC1;VARCYAJTWFVQON-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340729;MM340729;CCC(OC)OCC(C)=O;WRXCEHVNALKUKF-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340730;MM340730;CC(CN)OC1(CN)CC1;QKMMUESXBJRXMZ-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340731;MM340731;COC(CO)OCC(C)=O;MRMPJUMEKWRODD-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340732;MM340732;CC(CO)OC1(CN)CC1;BOGVZMMCCSMKMN-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340733;MM340733;CCC(OC)OCC(=N)N;HWDIJWSOKLTLON-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340734;MM340734;CC(CF)OC1(CN)CC1;MZUADRKBAJDXHD-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340735;MM340735;COC(CN)OCC(=N)N;MNKQGSIYYLWGEV-UHFFFAOYSA-N;147.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340736;MM340736;CCC(C)OC1(CO)CC1;AIIPVLSLXZYPKK-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340737;MM340737;COC(CO)OCC(=N)N;OJXHUTNDOOHJFK-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340738;MM340738;CC(CN)OC1(CO)CC1;ITELVOHZWHWRNF-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340739;MM340739;COC(CN)OCC(N)=O;XFVWWEGZLJSPMC-UHFFFAOYSA-N;148.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340740;MM340740;CC(CO)OC1(CO)CC1;UGGKBKMNQWQWRO-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340741;MM340741;COC(CO)OCC(N)=O;QJNKRFHRSYFVNT-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340742;MM340742;CC(CF)OC1(CO)CC1;UZJHUSIRKIVLQY-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340743;MM340743;NN=C(CO)OCC(=O)O;FLGOFYKBTUEKDD-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340744;MM340744;CCC1(OC(C)OC)CC1;FIQIAEIEGHDWNT-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340745;MM340745;C=C(F)COC(CN)OC;ZSFJIQCGMDBQCW-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340746;MM340746;COC(C)OC1(CN)CC1;VXUXPOWCMVTJIB-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340747;MM340747;CCC(CN)ONC(C)=N;NPAJWJURBUFAMP-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340748;MM340748;CCC(C)OC1(OC)CC1;PEISUWALFDUQSC-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340749;MM340749;CCC(CF)ONC(C)=N;DKJVGPZOIXLMCE-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340750;MM340750;COC1(OC(C)CN)CC1;LHALPPGUDUMQQJ-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340751;MM340751;CC(=N)NOC(CO)CO;ADFUWVADKIDTTF-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340752;MM340752;COC1(OC(C)CO)CC1;OPGNBARAQPAZPJ-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340753;MM340753;CCC(CC)ONC(C)=O;ZGTXHPDZJXKRBR-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340754;MM340754;CCN(C)CC1(CC)CC1;YOAXBCMTQJYLRS-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340755;MM340755;CC(=O)NOC(CO)CO;GOVCMZLXSXUGOL-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340756;MM340756;CCN(C)CC1(CN)CC1;ZCEBODRCTDXSHD-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340757;MM340757;CCC(CC)ONC(=N)N;CQZYJYRFBGIUPO-UHFFFAOYSA-N;145.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340758;MM340758;CCN(C)CC1(CO)CC1;SRPRTAZKXKURGF-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340759;MM340759;CCN(C)CC1(CF)CC1;NWXVDRIPJXVCNQ-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340760;MM340760;CCC(CN)ONC(=N)N;ODIUVTFLCJMZQH-UHFFFAOYSA-N;146.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340761;MM340761;CCN(C)CC1(NC)CC1;JCXVMFJDCLMVOU-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340762;MM340762;N=C(N)NOC(CO)CF;HFVZMNRMZWXVBD-UHFFFAOYSA-N;151.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340763;MM340763;CCN(C)CC1(OC)CC1;FGKWLFVFOXHJOF-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340764;MM340764;CCC(CC)ONC(N)=O;OXGDXFYLCDPKLI-UHFFFAOYSA-N;146.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340765;MM340765;CCC1(CC(C)CN)CN1;JQOLOEWPOHHIBH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340766;MM340766;CCC(CN)ONC(N)=O;JYYBDOOJHUKFGG-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340767;MM340767;CCC(C)CC1(CN)CN1;YAQALWQAUPNLHI-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340768;MM340768;CCC(CF)ONC(N)=O;MHRFQGXRSDCUBY-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340769;MM340769;CC(CN)CC1(CN)CN1;WQFHXIMUYDSJFT-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340770;MM340770;NC(=O)NOC(CO)CO;FIWFYWOJNSSDBE-UHFFFAOYSA-N;150.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340771;MM340771;CC(CF)CC1(CN)CN1;KJKZELRIBBSMEJ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340772;MM340772;COC(CO)ONC(C)=N;JFKHWSLJYRLHJE-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340773;MM340773;CC(CN)CC1(CO)CN1;IBMOVVAGOQBFPZ-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340774;MM340774;COC(CF)ONC(C)=N;SYAOJVJNPWAEOS-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340775;MM340775;CCC(C)CC1(CF)CN1;HMKKSHXNVDNQIS-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340776;MM340776;CCC(OC)ONC(=N)N;IGQAKGQQSMEZKA-UHFFFAOYSA-N;147.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340777;MM340777;CC=C1C=C(CO)C(C)C1;DHXKCFVMSJVMFM-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340778;MM340778;COC(CO)ONC(=N)N;MVPVUCORJXVTGQ-UHFFFAOYSA-N;149.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340779;MM340779;CCC(N)CC1(CC)CN1;CDZPKSHGUWKSFZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340780;MM340780;COC(CF)ONC(=N)N;VJDTZQPMIXSSOQ-UHFFFAOYSA-N;151.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340781;MM340781;CCC1(CC(N)CN)CN1;MBINZRCISCOJDG-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340782;MM340782;COC(CO)ONC(N)=O;ZAJXJGDNIXPUMK-UHFFFAOYSA-N;150.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340783;MM340783;CCC1(CC(N)CO)CN1;DQRUVQKUERKTFO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340784;MM340784;COC(CF)ONC(N)=O;JZTYZUKVISGBGQ-UHFFFAOYSA-N;152.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340785;MM340785;CCC1(CC(N)CF)CN1;WYGIVHXUCMRKSV-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340786;MM340786;C=C(C)CCN(CC)CC;HFHXFYLGPYSQIZ-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340787;MM340787;CCC(N)CC1(CN)CN1;AUIJHFNWPZNNOP-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340788;MM340788;CCN(CC)CCC(C)=O;XLEOCTUCGZANAC-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340789;MM340789;NCC(N)CC1(CN)CN1;YEULZRJTTWKWMS-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340790;MM340790;CCN(CC)CCC(N)=O;KTUOJDXAHZOFCA-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340791;MM340791;NCC1(CC(N)CF)CN1;GVMYEHODWLIPFQ-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340792;MM340792;C=C(F)CCN(CC)CC;WGUBUOJLUWXGOQ-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340793;MM340793;CCC(N)CC1(CO)CN1;AULQOTOQRPOEFZ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340794;MM340794;C=CC(CC)CCC(=C)C;WSRQFUSPYPPOAY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340795;MM340795;NCC(N)CC1(CO)CN1;ZGLGVWCSQOKPFD-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340796;MM340796;C=C(C)CCC(C=O)CC;QXBORFRLJCTFDY-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340797;MM340797;NC(CF)CC1(CO)CN1;CIWZOXUHLPTNAD-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340798;MM340798;C=C(C)CCC(C#N)CC;JLHUHIORXSAJRP-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340799;MM340799;CCC(N)CC1(CF)CN1;AFDJLYBIHJCVMV-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340800;MM340800;C=CC(CN)CCC(=C)C;YCXPQFPGNYNNIJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340801;MM340801;NCC(N)CC1(CF)CN1;DFBGHHRMBODOHB-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340802;MM340802;CC(C(N)=O)C(C)(C)C;ZGGBHZGLQCFMOU-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340803;MM340803;NC(CF)CC1(CF)CN1;ABHFKUBXKGVRFO-UHFFFAOYSA-N;150.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340804;MM340804;C=CC(CF)CCC(=C)C;WGHKYVZTOLMOBO-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340805;MM340805;CCC1(CC(O)CN)CN1;IZLIPAJGLVBGMM-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340806;MM340806;C=C(C)CCC(C=O)CF;ZTMJCYCBVWZDGD-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340807;MM340807;CCC(O)CC1(CN)CN1;RWGUMAPTMFCFCS-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340808;MM340808;C=C(C)CCC(C#N)CF;GKEPCLPMANNEEY-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340809;MM340809;NCC(O)CC1(CN)CN1;NWXKZFMAJZVPKP-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340810;MM340810;C=CC(CC)CCC(C)=O;GZCMWQJCQRUWIJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340811;MM340811;NCC(O)CC1(CO)CN1;IWZJPLQLSJZEFI-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340812;MM340812;CCC(C=O)CCC(C)=O;QQYSXJCCOWNSSH-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340813;MM340813;CCC1(CC(F)CN)CN1;ILPCJDBYLAIBOI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340814;MM340814;CCC(C#N)CCC(C)=O;HSGAPITUQXJICS-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340815;MM340815;CCC(F)CC1(CN)CN1;CKFJEYQDIKBCKY-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340816;MM340816;CC(C)=CC=CC(C)O;LOEPZKRKRUMLGM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340817;MM340817;CCC(F)CC1(CF)CN1;IJKBYKYYJZILOF-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340818;MM340818;CC(=O)CCC(C=O)CO;DPLDUNIZBOTNNP-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340819;MM340819;C=CC(CF)CCC(C)=O;XISPFBMUZBAOKX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340820;MM340820;NCC(F)CC1(CF)CN1;PKZNSJLIGASSQV-UHFFFAOYSA-N;150.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340821;MM340821;CC(=O)CCC(C#N)CF;FMVJAUWIYMUBIZ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340822;MM340822;FCC(F)CC1(CF)CN1;GEEOBFNPWFZNHA-UHFFFAOYSA-N;153.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340823;MM340823;C=CC(CC)CCC(=N)N;SUVZYKYPZZLKDA-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340824;MM340824;CCC1(CC(C)NC)CN1;JDPICOMJXGTINS-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340825;MM340825;CCC(C=O)CCC(=N)N;ZYHNJJHEBHNHMG-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340826;MM340826;CNC(C)CC1(CN)CN1;DUNKBJXTHIYAGX-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340827;MM340827;C=CC(CO)CCC(=N)N;LZJRIMKPYXYHQY-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340828;MM340828;CNC(C)CC1(CO)CN1;NEHJLLYJDQPIDH-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340829;MM340829;N#CC(CF)CCC(=N)N;ABCCDEOKJKRBFS-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340830;MM340830;COC(C)CC1(CN)CN1;OSSMDKSWTAVUSH-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340831;MM340831;CC(F)=CC=CC(C)O;YITGWAZAWWUNGR-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340832;MM340832;COC(C)CC1(CF)CN1;RTEBSHYKLQMSJO-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340833;MM340833;CCC(C#N)CCC(N)=O;NBOPEUIRYNAZPE-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340834;MM340834;CCN(C)CC1(CC)CN1;FKOCUCFWMDGGFZ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340835;MM340835;CC(O)C=CC=C(F)F;AQPSVPYGBQQBAG-UHFFFAOYSA-N;134.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340836;MM340836;CCN(C)CC1(CN)CN1;CVSMBUJMXYPTLJ-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340837;MM340837;N#CC(CO)CCC(N)=O;GIDFLJBRYWVKMH-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340838;MM340838;CCC(C)CC1(CC)CO1;BBBXJJMYDSLSNW-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340839;MM340839;CC1(C)CC(CCO)C1;MAASFMKHCDRXTM-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340840;MM340840;CCC1(CC(C)CN)CO1;OGJXCTFLGNCDFL-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340841;MM340841;C=CC(CC)CCC(=O)O;ACZPIOFRQPADQY-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340842;MM340842;CCC1(CC(C)CO)CO1;HEEMLERDOWLIPF-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340843;MM340843;Nc1n[nH]c(O)n1;XOHBRLLZSIGHDE-UHFFFAOYSA-N;100.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340844;MM340844;CCC1(CC(C)CF)CO1;DHKPJSCSCKOLNC-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340845;MM340845;C=CC(CF)CCC(=O)O;LHLQMDVAFZENEV-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340846;MM340846;CCC(C)CC1(CN)CO1;HPPVJUUYDZSYHR-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340847;MM340847;C=CC(CC)CCC(=C)F;YZGATFYGLJFWIY-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340848;MM340848;CC(CN)CC1(CN)CO1;QPISKELPTWMWFH-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340849;MM340849;C=C(F)CCC(C=O)CC;QIDDYJQVDULFMC-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340850;MM340850;CC(CO)CC1(CN)CO1;JUPNIUKQXWGGBH-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340851;MM340851;C=CC(CN)CCC(=C)F;PDWIVBMGJZRSHI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340852;MM340852;CC(CF)CC1(CN)CO1;MCJNGXOFQHWYLJ-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340853;MM340853;C#CC1=CC(C)(O)C=C1;QDSYZOCLPZVIJU-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340854;MM340854;CCC(C)CC1(CO)CO1;TZKZPBWKQWKDOX-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340855;MM340855;C=C(F)CCC(C#N)CO;HXRJIAFZTPVZRX-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340856;MM340856;CC(CN)CC1(CO)CO1;FLQBQIPTHDCKQC-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340857;MM340857;C=C(F)CCC(C=O)CF;MEJYCNSKDAZTEZ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340858;MM340858;CCC(C)CC1(CF)CO1;HMBJFVKXKMISAO-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340859;MM340859;C=CC(CCC(=C)C)NC;XBMPHGPEKNHDDS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340860;MM340860;CC(CO)CC1(CF)CO1;FRJWBBYFZDPGIX-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340861;MM340861;CC(O)C=CC=CCF;LHAFQWJRAAOELV-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340862;MM340862;CCC(N)CC1(CC)CO1;IXZPIBJBMAFGLR-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340863;MM340863;C=CC(CCC(=N)N)NC;DVEHWVKJJWHKGN-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340864;MM340864;CCC1(CC(N)CN)CO1;RSFBAEUYXYNYIL-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340865;MM340865;CNC(C=O)CCC(=N)N;VVSVVTVTAVXRSG-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340866;MM340866;CCC1(CC(N)CF)CO1;FAXAHHOGMMWHLJ-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340867;MM340867;CNC(C=O)CCC(N)=O;UNXHXLFURIPEPV-UHFFFAOYSA-N;144.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340868;MM340868;CCC(N)CC1(CN)CO1;MKYHHZFFFJSSRE-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340869;MM340869;COC=CC=CC(C)O;BZPBXHLGBYXQGN-UHFFFAOYSA-N;128.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340870;MM340870;NCC(N)CC1(CN)CO1;PXHXJOYUKXINNP-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340871;MM340871;C=CC(CCC(=C)F)NC;YBUNEXJIMBYLIZ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340872;MM340872;NCC1(CC(N)CO)CO1;MLNZLOFLFSHHCT-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340873;MM340873;C=CC(CCC(=C)F)OC;HNVFSIOIXTVZMQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340874;MM340874;CCC(N)CC1(CO)CO1;YZPWSIXJCKNXGW-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340875;MM340875;C=C(F)CCC(C#N)OC;QCDUJTSEUPCOMO-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340876;MM340876;NCC(N)CC1(CO)CO1;KFBPWCDXMWHSPU-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340877;MM340877;C=CC(CC)CNC(C)=N;HCVIYIPYZUNAKA-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340878;MM340878;NC(CF)CC1(CO)CO1;NPMULGSHNPAGRO-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340879;MM340879;CCC(C#N)CNC(C)=N;CSCJMTISHWNYIN-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340880;MM340880;CCC(N)CC1(CF)CO1;GQQZWLMUPFZHGV-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340881;MM340881;C=CC(CN)CNC(C)=N;UVAAKNZCLRYMBD-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340882;MM340882;NC(CO)CC1(CF)CO1;KMQBBAGPECYNDP-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340883;MM340883;C=CC(CO)CNC(C)=N;MJHJLGIWPXSUSC-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340884;MM340884;NC(CF)CC1(CF)CO1;LBHSRCRSHHAQNU-UHFFFAOYSA-N;151.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340885;MM340885;C=CC(CF)CNC(C)=N;WFFDVEDGSOFDEX-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340886;MM340886;CCC(O)CC1(CC)CO1;FEYNYCBTOLOKFY-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340887;MM340887;CC(=N)NCC(C#N)CF;MZMQWSNYKZDUFR-UHFFFAOYSA-N;143.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340888;MM340888;CCC1(CC(O)CN)CO1;IQZGZOYYXUCYOV-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340889;MM340889;C=CC=CC=CC(C)O;RBGOLLSUSZOVON-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340890;MM340890;CCC1(CC(O)CO)CO1;LRKVFSXHSQVCHE-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340891;MM340891;C=CC(CO)CNC(C)=O;RUJOIAOKUFQLCL-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340892;MM340892;CCC(O)CC1(CN)CO1;HTGPGVBZJTYIAM-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340893;MM340893;CC(=O)NCC(C=O)CO;RFJZULDUKCOZIW-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340894;MM340894;NCC(O)CC1(CN)CO1;IDIOIQPOIPESAP-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340895;MM340895;C=CC(CF)CNC(C)=O;HJSXXHCWAUEJMF-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340896;MM340896;CC(=O)NCC(C=O)CF;FJQKEXUKYISZQR-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340897;MM340897;NCC(O)CC1(CO)CO1;FFFKZKHBJIUGHX-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340898;MM340898;C=CC(CC)CNC(=N)N;JGUJQMVUXVOWCF-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340899;MM340899;CCC1(CC(F)CN)CO1;FFNIQZUGKIJQDF-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340900;MM340900;CCC(C=O)CNC(=N)N;LSAJLQVWRVQXGZ-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340901;MM340901;CCC(F)CC1(CN)CO1;HCTKRGNXMXTPSY-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340902;MM340902;C=CC(CN)CNC(=N)N;FXNYCOYEXQKHNJ-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340903;MM340903;NCC(F)CC1(CN)CO1;TVMZZXWPPUFFPN-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340904;MM340904;C=CC(CO)CNC(=N)N;SWAGYUFMEARNND-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340905;MM340905;NCC(F)CC1(CO)CO1;WRTIRAKCFATIDJ-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340906;MM340906;N=C(N)NCC(C=O)CO;SGZSDOYLJIGSTQ-UHFFFAOYSA-N;145.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340907;MM340907;OCC(F)CC1(CO)CO1;OMHCBTZSVGEXID-UHFFFAOYSA-N;150.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340908;MM340908;N#CC(CO)CNC(=N)N;MMXJULBRVXXCKW-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340909;MM340909;CCC1(CC(C)NC)CO1;JHACVCQFYIGMHL-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340910;MM340910;N#CC(CF)CNC(=N)N;LDCRBCLHQQWIFU-UHFFFAOYSA-N;144.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340911;MM340911;CNC(C)CC1(CN)CO1;ZPPUGVJOGZDWBQ-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340912;MM340912;C=CC(CC)CNC(N)=O;QQSWSBKYAWOVKL-UHFFFAOYSA-N;142.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340913;MM340913;CNC(C)CC1(CO)CO1;NGAWCILJWVSUOX-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340914;MM340914;CCC(C=O)CNC(N)=O;WURNLHAOPDYKLW-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340915;MM340915;CNC(C)CC1(CF)CO1;KWSIJXUQSDBBDO-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340916;MM340916;C=CC(CN)CNC(N)=O;LOXMCUHOBBYNRT-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340917;MM340917;CCC1(CC(C)OC)CO1;VZRYHDUMARFWOP-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340918;MM340918;N#CC(CO)CNC(N)=O;HTIPSMHBSQBFHC-UHFFFAOYSA-N;143.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340919;MM340919;COC(C)CC1(CN)CO1;GTQWWOBWCLQUAA-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340920;MM340920;NC(=O)NCC(C=O)CF;QHMFONFZFCOPJH-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340921;MM340921;CCN(C)CC1(CC)CO1;CXWUUJMPLOCFOS-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340922;MM340922;C=CC(CNC(C)=N)NC;HRGLGSSXSWTCEJ-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340923;MM340923;CCN(C)CC1(CN)CO1;CUDJSFNSTURKLA-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340924;MM340924;CNC(C=O)CN=C(C)N;SUAFLLQDQNWEAF-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340925;MM340925;CCN(C)CC1(CO)CO1;OJKKCMIFSHCNGE-UHFFFAOYSA-N;145.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340926;MM340926;CNC(C=O)CNC(=N)N;NVGLCUPQNSCIND-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340927;MM340927;CCN(C)CC1(CF)CO1;GDMOWAKGMGHVAH-UHFFFAOYSA-N;147.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340928;MM340928;CNC(C#N)CNC(=N)N;ODJNOOGRAFDILR-UHFFFAOYSA-N;141.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340929;MM340929;C=CC(C)CC1(CC)CC1;ZLEJHFBRVJPONU-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340930;MM340930;C=CC(CNC(N)=O)NC;FAUGGJJMDCZZTM-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340931;MM340931;CCC1(CC(C)C=O)CC1;QIKNREFSRUTQAI-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340932;MM340932;COC(C#N)CNC(C)=N;USBKSSZOQIFEBG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340933;MM340933;CCC1(CC(C)C#N)CC1;WDNOMBTVPKDKIO-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340934;MM340934;C=CC(CNC(=N)N)OC;NHNPLODOSGSNCG-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340935;MM340935;C=CC(C)CC1(CN)CC1;YFPYWLNBAUPVKD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340936;MM340936;COC(C=O)CNC(=N)N;BCGILOLWBQQNPT-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340937;MM340937;CC=C1CC=C(CO)C1C;KOWVPHMTIOYOLJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340938;MM340938;COC(C#N)CNC(=N)N;NJIXQAJBGCSVOZ-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340939;MM340939;CC1=C(CO)CCC1=CF;KKVOYFLHOGSBHG-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340940;MM340940;C=CC(CNC(N)=O)OC;DDDAGZAKNKARKV-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340941;MM340941;CCc1noc(C#N)c1N;DPNREQGUBLBRKH-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340942;MM340942;COC(C=O)CNC(N)=O;UQBMPQGKGGMGOQ-UHFFFAOYSA-N;146.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340943;MM340943;C=CC(N)CC1(CC)CC1;MULGSGHNEJAFFU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340944;MM340944;COC(C#N)CNC(N)=O;MNWIUEAJOUQSDZ-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340945;MM340945;C=CC(N)CC1(CN)CC1;DEOHICQMVAPWFV-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340946;MM340946;C=CC(CC)COC(=C)C;QFZLCEUANIJBEO-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340947;MM340947;C=CC(N)CC1(CO)CC1;GXRABTCWXSWGCW-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340948;MM340948;C=C(C)OCC(C#N)CC;VHWRMKITIXIJGN-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340949;MM340949;COCC=CCC1CC1O;PNDFKECUXBOCRV-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340950;MM340950;C=CC(CN)COC(=C)C;KYJRPAOFPYJALV-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340951;MM340951;CCC1(CC(O)C=O)CC1;WSCJERGVPROBPZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340952;MM340952;C=CC(CO)COC(=C)C;LLEIHVYLKOHXAB-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340953;MM340953;CCC1(CC(O)C#N)CC1;UPRXLOJTMKHNCM-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340954;MM340954;C=CC(CC)COC(C)=O;PXFDXQHDKQHYSD-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340955;MM340955;C=CC(O)CC1(CN)CC1;BNCLVONXJYFZLN-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340956;MM340956;CCC(C#N)COC(C)=O;ZXOJAQBUPMWBKZ-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340957;MM340957;C=CC(O)CC1(CO)CC1;PSLQCKPCNVHEDC-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340958;MM340958;CCC(C=O)COC(=N)N;SRLMCTBKIDCYCP-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340959;MM340959;C=CC(F)CC1(CC)CC1;HBGBUWYDPODLIQ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340960;MM340960;C=CC(CN)COC(=N)N;WVNOYHDJHFZNEM-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340961;MM340961;CCC1(CC(F)C=O)CC1;IBAJZPPTKZHVOO-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340962;MM340962;N#CC(CO)COC(=N)N;SEHZWQUPEKEIDY-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340963;MM340963;CCC1(CC(F)C#N)CC1;AHPWCLMZYAKCJS-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340964;MM340964;N=C(N)OCC(C=O)CF;GHMAYDACIJXFMN-UHFFFAOYSA-N;148.14;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340965;MM340965;C=CC(F)CC1(CN)CC1;JAMCOUBTLVKJOP-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340966;MM340966;N#CC(CF)COC(=N)N;PQJMHUAIASHSHF-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340967;MM340967;C=CC(F)CC1(CO)CC1;IQEMGMARMOVVFP-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340968;MM340968;C=CC(CC)COC(N)=O;VBWLXZBNHDHDAP-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340969;MM340969;C=CC(F)CC1(CF)CC1;YAKRJTXTTZBKIF-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340970;MM340970;C=CC(CO)COC(N)=O;HNCFRLQMDSHGLO-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340971;MM340971;O=CC(F)CC1(CF)CC1;GQEPWVSZLSYPAK-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340972;MM340972;N#CC(CO)COC(N)=O;QFRZPRKWEIZZFN-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340973;MM340973;C=CC(C)CC1(NC)CC1;JJRCJZJZFXXJIJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340974;MM340974;C=CC(CF)COC(N)=O;USXFPEUDBBQMFF-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340975;MM340975;CNC1(CC(C)C=O)CC1;XXCXVLWWRHXINV-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340976;MM340976;C=CC(COC(=C)C)NC;MIBZDELSIUJROL-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340977;MM340977;CNC1(CC(C)C#N)CC1;DOFBFWKWEWHYBG-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340978;MM340978;C=CC(COC(C)=O)NC;BNEBDJOYUGSLEM-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340979;MM340979;C=CC(N)CC1(NC)CC1;OOHPCZIXOZKDKK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340980;MM340980;C=CC(COC(=N)N)NC;CQTPIYZEIWVJJW-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340981;MM340981;CNC(C=O)COC(=N)N;OSXMFWHOAXAETL-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340982;MM340982;C=CC(O)CC1(NC)CC1;JFXUPHJVNIEVCN-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340983;MM340983;CNC(C#N)COC(=N)N;ALVLTADIANDZCQ-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340984;MM340984;CNC1(CC(O)C=O)CC1;XFSHQTLRKFKELL-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340985;MM340985;CC(O)C=CC=CC#N;FWMXISHONYFHRH-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340986;MM340986;CNC1(CC(O)C#N)CC1;GFIQFNKHXVRKRQ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340987;MM340987;C=CC(COC(=C)C)OC;IADJJENFLUJOEH-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340988;MM340988;C=CC(F)CC1(NC)CC1;OHIXQUKVZNIVRY-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340989;MM340989;C=C(C)OCC(C#N)OC;ITRDGRNYHACISG-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340990;MM340990;CNC1(CC(F)C=O)CC1;DOELXRAHTFAEET-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340991;MM340991;C=CC(COC(C)=O)OC;JIYGHNUKQJCYLA-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340992;MM340992;CNC1(CC(F)C#N)CC1;BVEXYFCKGJONBZ-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340993;MM340993;COC(C=O)COC(=N)N;SRUFWIDUAMPAGH-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340994;MM340994;C=CC(C)CC1(OC)CC1;JZIDLTZIDHGYEJ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340995;MM340995;COC(C#N)COC(=N)N;IHQGCLCGZMMYOI-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340996;MM340996;COC1(CC(C)C=O)CC1;BMEOYDWWOZEDBF-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340997;MM340997;COC(C=O)COC(N)=O;HZOYLDAWJZXMRC-UHFFFAOYSA-N;147.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340998;MM340998;COC1(CC(C)C#N)CC1;FLAOZXSVCRJIJX-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM340999;MM340999;C=CC(CC)NCC(=C)C;CFPZVLGXCIOTNK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341000;MM341000;C=CC(N)CC1(OC)CC1;RMOOEHDGUJWYEH-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341001;MM341001;C=C(C)CNC(C#N)CC;CYUUAZBNLYLSPD-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341002;MM341002;C=CC(O)CC1(OC)CC1;ALOYMHCIZGWYNN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341003;MM341003;C=CC(CC)NCC(=N)N;DWPNASQPRQAQNE-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341004;MM341004;COC1(CC(O)C#N)CC1;AGBKSWDVDJHGOL-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341005;MM341005;CCC(C=O)NCC(=N)N;RNJQRAWZRWWVHZ-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341006;MM341006;C=CC(F)CC1(OC)CC1;GTKHWGRNBIWAAV-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341007;MM341007;C=CC(CN)NCC(=N)N;XEAKIEBUVWSWHV-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341008;MM341008;COC1(CC(F)C#N)CC1;YREPMJLGQHLETJ-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341009;MM341009;C=CC(CO)NCC(=N)N;ANGFXWAKRRDKHS-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341010;MM341010;C=CC(C)NC1(CC)CC1;RVAGRQRURKNPGC-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341011;MM341011;N#CC(CO)NCC(=N)N;FRQZMPOCQGETKE-UHFFFAOYSA-N;142.16;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341012;MM341012;C#CC=CC=CC(C)O;MLGTYRREAWORGL-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341013;MM341013;CCC1(NC(C)C=O)CC1;MYWMQHKCLBGLAK-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341014;MM341014;CCC(C)C(C)C(N)=O;HRBAJVQRJUTNMM-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341015;MM341015;CCC1(NC(C)C#N)CC1;PFIJAMKAZXABOR-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341016;MM341016;C#CC#CCC(O)CC;PVRZDVSGWYPQCQ-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341017;MM341017;C=CC(C)NC1(CN)CC1;OOJFWAKIDKEPME-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341018;MM341018;C=C(F)CNC(C#N)CC;CGNOPHVUOCFVLV-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341019;MM341019;CCOC=CCC1CC1O;ZNWNQSHOIDSRSF-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341020;MM341020;C=CC(CF)NCC(=C)F;WIEAFRMMIOTYBT-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341021;MM341021;CC(C#N)NC1(CF)CC1;QLLCYAIOSLXVGW-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341022;MM341022;C#CC=C(C)C(O)C=C;SFQWPOXCCUNIGC-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341023;MM341023;C=CC(C)OC1(CC)CC1;DGVLTFSIEMCNRK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341024;MM341024;C=CC(CN)NNC(C)=O;CTMONXIUPMRIKB-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341025;MM341025;CCC1(OC(C)C=O)CC1;SWPGRKOAEFLBMJ-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341026;MM341026;C=CC(CF)NNC(C)=O;MCZNFPAQPLPHNS-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341027;MM341027;CCC1(OC(C)C#N)CC1;ZYNWERJRUXEMRT-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341028;MM341028;CCC(C=O)NNC(=N)N;YNFSMNUOCKPQGD-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341029;MM341029;C=CC(C)OC1(CN)CC1;HPQMMPHGAYKMRZ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341030;MM341030;CCC(C#N)NNC(=N)N;DROCHXFUCCVRKA-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341031;MM341031;C=CC(C)OC1(OC)CC1;AAMBHLWLXLRVPH-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341032;MM341032;N#CC(CO)NNC(=N)N;QITFSDYGKHPALA-UHFFFAOYSA-N;143.15;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341033;MM341033;CCC1(CN(C)C=N)CC1;GUTAOLOLTQJWIZ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341034;MM341034;N=C(N)NNC(C=O)CF;BMCOWUBEGJULIY-UHFFFAOYSA-N;148.14;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341035;MM341035;CCC1(CN(C)C=O)CC1;IVURDBJBXQBIJM-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341036;MM341036;C=CC(CN)NNC(N)=O;YOKXSRYSDSPCTE-UHFFFAOYSA-N;144.18;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341037;MM341037;CN(C=N)CC1(CN)CC1;FARBTSLZOCOCHD-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341038;MM341038;N#CC=C(N)C(=O)CF;ZOFHRUZVPHXFDI-UHFFFAOYSA-N;128.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341039;MM341039;N#CC(CO)NNC(N)=O;CMVINFLIBQSDGG-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341040;MM341040;CN(C=N)CC1(CO)CC1;BXASICIZDJMHMF-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341041;MM341041;C=CC(CC)OCC(=C)C;JCSXTYGSMCNAMA-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341042;MM341042;CCC1(CN(N)C=N)CC1;PKWXROGASHEDHV-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341043;MM341043;C=C(C)COC(C=O)CC;YFAHRSJWEOLYPL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341044;MM341044;CCC1(CN(N)C=O)CC1;RJKXUOLAEDRLCN-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341045;MM341045;C=C(C)COC(C#N)CC;UTNHCXXEHPRJCJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341046;MM341046;N=CN(N)CC1(CF)CC1;APQZTLAEPYAOBH-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341047;MM341047;C=CC(CN)OCC(=C)C;RXBNEQAUJWJUMU-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341048;MM341048;CCC1(CN(O)C=N)CC1;PAUBJQKPRRASRX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341049;MM341049;C=CC(CO)OCC(=C)C;QNECWDUYCGQHNH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341050;MM341050;CCC1(CN(O)C=O)CC1;XLBFKAYFNJZKQI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341051;MM341051;C=CC(CC)OCC(C)=O;XIPMAEXSMSOZPG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341052;MM341052;N=CN(O)CC1(CN)CC1;ZDYGCVHNHQZHKQ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341053;MM341053;CCC(C#N)OCC(C)=O;WTKHWOZFYUKPLZ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341054;MM341054;N=CN(O)CC1(CO)CC1;HISYYUVNLJIOPP-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341055;MM341055;CC(=O)COC(C=O)CO;ZDSLICQFOKNHCP-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341056;MM341056;O=CN(O)CC1(CO)CC1;RFABWYBSCBDZMU-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341057;MM341057;C=CC(CF)OCC(C)=O;HHOSJUBLYPNBRX-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341058;MM341058;N=CN(O)CC1(CF)CC1;QDNSIVNTXSSUTF-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341059;MM341059;C=CC(CC)OCC(=N)N;SRYUEMKSASUALP-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341060;MM341060;C=NN(C)CC1(CC)CC1;WBSFMFIKNCZIKN-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341061;MM341061;C=CC(CO)OCC(=N)N;WMLLCRQUISUYTC-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341062;MM341062;C=NN(C)CC1(CN)CC1;MMRCKKFHKYFCPL-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341063;MM341063;N=C(N)COC(C=O)CO;NEUPFXVAOYPHLZ-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341064;MM341064;C=COC=CCC1CC1O;HYGNFRLAJGOYND-UHFFFAOYSA-N;140.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341065;MM341065;N#CC(CO)OCC(=N)N;VPKIBEKOSNIZJO-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341066;MM341066;CNC1(CN(C)C=N)CC1;KTJPHVPNMVKDOD-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341067;MM341067;C=CC(CC)OCC(N)=O;ZSDZZNAXRZZZGM-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341068;MM341068;CNC1(CN(C)C=O)CC1;OSOORJLKVSFYBJ-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341069;MM341069;C=CC(CO)OCC(N)=O;ZISFAXVGNZJURE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341070;MM341070;CNC1(CN(N)C=N)CC1;UNVDLAPPBZUZFD-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341071;MM341071;N#CC(CO)OCC(N)=O;TVPHMICZICXTOP-UHFFFAOYSA-N;144.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341072;MM341072;CNC1(CN(N)C=O)CC1;FCSGLLXNLWRHPU-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341073;MM341073;N#CC(CF)OCC(N)=O;WFRRDVSFXFKZBX-UHFFFAOYSA-N;146.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341074;MM341074;CNC1(CN(O)C=N)CC1;ZPDCHPVYCBFLHN-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341075;MM341075;NN=CN=c1[nH]oc(=O)o1;RXFYIBCLXOWZDL-UHFFFAOYSA-N;144.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341076;MM341076;C=NN(C)CC1(NC)CC1;GILCLQRGEAQUDD-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341077;MM341077;C=C(C)CCC(=O)C(=O)O;XOCCGEUUWAUIMG-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341078;MM341078;COC1(CN(C)C=N)CC1;BHMAXOKENOKLPC-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341079;MM341079;C=CC(CO)OCC(=C)F;FYIIAZDXKLGIRV-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341080;MM341080;COC1(CN(C)C=O)CC1;KGAKHXJQEIQOKU-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341081;MM341081;C=C(F)COC(C=O)CO;ZGTICIVRMDVXKO-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341082;MM341082;COC1(CN(N)C=N)CC1;HLWHRGPBHSHRSS-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341083;MM341083;C=CC(OC)OCC(=C)C;LYIOPUWMROILSG-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341084;MM341084;COC1(CN(N)C=O)CC1;MTIANWRLWKMJIV-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341085;MM341085;C=CC(OC)OCC(C)=O;MGQDWYYIRUBFAZ-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341086;MM341086;C=NN(C)CC1(OC)CC1;YLKOUBXVNIAGSV-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341087;MM341087;COC(C=O)OCC(C)=O;CYMBWTZUUFGTST-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341088;MM341088;CCC1(NN(C)C=N)CC1;DJABUAVZICSADG-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341089;MM341089;COC(C#N)OCC(=N)N;QERHGMUPRNGRHA-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341090;MM341090;CCC1(NN(C)C=O)CC1;MQJGKXHGOBMZMB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341091;MM341091;COC(C#N)OCC(N)=O;LRQWWRICAPFZHY-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341092;MM341092;CCC1(ON(C)C=N)CC1;WGACUYOZJPELDT-UHFFFAOYSA-N;142.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341093;MM341093;C=C(F)COC(C#N)OC;QNKPWVOGGZWASH-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341094;MM341094;CCC1(ON(C)C=O)CC1;XSFWEKQXGMXWGF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341095;MM341095;C=CC(CF)ONC(C)=N;LNKOPVVYLRWPPV-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341096;MM341096;COC1(ON(C)C=O)CC1;LABRKJRBGOCAAL-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341097;MM341097;C=CC(CC)ONC(C)=O;GOCIQMMWSWXLIH-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341098;MM341098;C=CC(C)CC1(CN)CN1;YNYHFPSECGGIAC-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341099;MM341099;C=CC(CN)ONC(=N)N;ZFQYOQQOQITUJJ-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341100;MM341100;CC=CC=CCC1CC1O;YXYWSORBQGKIAT-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341101;MM341101;C=CC(CO)ONC(=N)N;LGKDBKYOAAOVMV-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341102;MM341102;C=CC(N)CC1(CC)CN1;UETGKFCPERLSMG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341103;MM341103;N#CC(CO)ONC(=N)N;XSLHFVOBINSERZ-UHFFFAOYSA-N;144.13;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341104;MM341104;C=CC(N)CC1(CN)CN1;IULAZEJQKDEUHP-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341105;MM341105;C=CC(CF)ONC(=N)N;LCHFJLQGTHUGCJ-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341106;MM341106;C=CC(O)CC1(CN)CN1;XUZLPHWAAFSTDL-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341107;MM341107;N#CC(CF)ONC(=N)N;SJJQRHUBHCQUHA-UHFFFAOYSA-N;146.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341108;MM341108;C#CC1C(O)C1C=CC=O;AGUPZTNKFURSAK-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341109;MM341109;CCC(C=O)ONC(N)=O;BFIKTZUTYWASHT-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341110;MM341110;CCC#CCC1CC1CO;YCRBJSPZXWOKCN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341111;MM341111;N#CC(CO)ONC(N)=O;KMQLBPOVCBZONE-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341112;MM341112;C=CC(F)CC1(CN)CN1;PTMRLCAKCQIVIZ-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341113;MM341113;C=CC(OC)ONC(C)=N;BKXAMNJJSAOONB-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341114;MM341114;CC1(C)CC(CO)C1;XEELTMBMTSMJSR-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341115;MM341115;C=CC(OC)ONC(=N)N;SLIHEELNBBWRAE-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341116;MM341116;C=CC(F)CC1(CF)CN1;CZXWNXNRIRCTBR-UHFFFAOYSA-N;147.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341117;MM341117;COC(C=O)ONC(=N)N;DYSZKPCIYVXPDL-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341118;MM341118;N#CC(F)CC1(CF)CN1;OALSNPKWSAYZDG-UHFFFAOYSA-N;146.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341119;MM341119;C=C(C)CCN(C=O)CC;BUCSZEJRNMSXIO-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341120;MM341120;CCC1(CN(C)C=N)CN1;GEGLHBGZODPNLG-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341121;MM341121;C#CC(CC=C)CCO;DOJPROFRTKDWOT-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341122;MM341122;CN(C=N)CC1(CN)CN1;GQEJBNNOAQMUAC-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341123;MM341123;CCN(C=O)CCC(=N)N;VWCXAQYHYFNYCO-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341124;MM341124;CN(C=N)CC1(CF)CN1;SKAHARLCJHHYBX-UHFFFAOYSA-N;145.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341125;MM341125;C#CC(CC=O)CCO;YLVUHMDWAHAFBF-UHFFFAOYSA-N;126.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341126;MM341126;CN(C=O)CC1(CF)CN1;MWCQSBBSQDCIBG-UHFFFAOYSA-N;146.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341127;MM341127;O=c1nnoc(=NO)[nH]1;PGTMXJPUTQOPJO-UHFFFAOYSA-N;130.06;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341128;MM341128;CCC1(CN(N)C=N)CN1;RXKFZELQMQRDSJ-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341129;MM341129;C=C(F)CCN(C=O)CC;IBMDOXMGSGKMAD-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341130;MM341130;N=CN(N)CC1(CO)CN1;NXXLBCJRNGTLKO-UHFFFAOYSA-N;144.18;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341131;MM341131;C=NN(CC)CCC(=C)C;PYMHLCOAGSYSHC-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341132;MM341132;CCC1(C)CC(CO)C1;JLNSLDGLTAIUGX-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341133;MM341133;O=CCCC(F)C(=O)O;UOZPWJAAHMWYCT-UHFFFAOYSA-N;134.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341134;MM341134;N=CN(O)CC1(CN)CN1;YOSTZKFKJXFFEA-UHFFFAOYSA-N;144.18;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341135;MM341135;C=NN(CC)CCC(=C)F;QIGQPUAXDDOAMY-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341136;MM341136;C=NN(C)CC1(CN)CN1;LCPCICIJXZFIRT-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341137;MM341137;CCCC(CC)C(N)=O;ZRFXAOXSSXSMRI-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341138;MM341138;C=NN(C)CC1(CF)CN1;PZHZZBGYBAMYOO-UHFFFAOYSA-N;145.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341139;MM341139;CNN(C=N)CCC(=N)N;ADCXKCZAKOUVHI-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341140;MM341140;C=CC(C)CC1(CC)CO1;IOSJZDBLBDKEHK-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341141;MM341141;CNN(C=O)CCC(=N)N;AYGZEJWRNYYFCD-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341142;MM341142;CCC1(CC(C)C=O)CO1;AJEXJNSECUWRAH-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341143;MM341143;CNN(C=N)CCC(N)=O;XRCDUWGAIGIPIV-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341144;MM341144;CCC1(CC(C)C#N)CO1;FEKOUBFBAIMOBT-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341145;MM341145;C#CC(CCO)C(=C)C;ZASFFLAYFXFYMG-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341146;MM341146;C=CC(C)CC1(CN)CO1;GNDCUQMJHIITRD-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341147;MM341147;COc1cc(=O)n(O)[nH]1;ZHCITBOSPHHBIV-UHFFFAOYSA-N;130.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341148;MM341148;C=CC(C)CC1(CO)CO1;QSUPXBSGYNKCGH-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341149;MM341149;C=C(F)CCN(C=N)NC;NZFPMGUNPRUWSG-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341150;MM341150;CC(C#N)CC1(CO)CO1;QURMSVPOAQXAQR-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341151;MM341151;C=C(F)CCN(C=O)NC;WUQDWECVIQKXHY-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341152;MM341152;CC(C#N)CC1(CF)CO1;KKWIXPFLZYGGNY-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341153;MM341153;CON(C=O)CCC(C)=O;GPZWGXNOIPPICL-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341154;MM341154;C=CC(N)CC1(CC)CO1;PBFURNONOAUBGP-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341155;MM341155;CON(C=O)CCC(=N)N;DEUWUVPFONTUPU-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341156;MM341156;C=CC(N)CC1(CN)CO1;YIHDPAZSISMKDM-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341157;MM341157;CON(C=O)CCC(N)=O;AMQVLIVZYPKOAJ-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341158;MM341158;CCOC(=COC)C(=O)O;PMVYCYHMBACDEZ-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341159;MM341159;C=CC(N)CC1(CO)CO1;UDZDQGNWTNHJSU-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341160;MM341160;C=C(C)CNN(C=N)CC;NEKQGANJJDBSRZ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341161;MM341161;C=CC(N)CC1(CF)CO1;ZBRQJSKLIRFEDV-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341162;MM341162;CCN(C=N)NCC(C)=O;YFXPQMPOWRGEJT-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341163;MM341163;C=CC(O)CC1(CC)CO1;FHEDVEBRYSGJQR-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341164;MM341164;CCC(C(N)=O)C(C)C;MIWKMBLORLMHOJ-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341165;MM341165;CCC1(CC(O)C#N)CO1;OSCQVWHLACCUAL-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341166;MM341166;CCN(C=N)NCC(=N)N;UQZJBMAAVCMMQO-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341167;MM341167;C=CC(O)CC1(CN)CO1;ARVSYECUXOCBSM-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341168;MM341168;CCN(C=O)NCC(=N)N;VAMSUONCVFTEAS-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341169;MM341169;C=CC(O)CC1(CO)CO1;ZWIQWFNGGKIMEL-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341170;MM341170;CCN(C=N)NCC(N)=O;OXBMHFQSUSSCGR-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341171;MM341171;N#CC(O)CC1(CO)CO1;NEPNUFFOBKIIBM-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341172;MM341172;C#Cc1cc(C)c(N)[nH]1;JFKKUESYTAMSFI-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341173;MM341173;C=CC(F)CC1(CN)CO1;ASYNEJUGBYPWJB-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341174;MM341174;CCN(C=N)OCC(C)=O;RCGHGYRQSFWKDZ-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341175;MM341175;N#CC(F)CC1(CO)CO1;YGBPCYKMAPVJLG-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341176;MM341176;CCN(C=N)OCC(=N)N;LKDTZYCSYBZSHG-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341177;MM341177;CCC1(CN(C)C=N)CO1;YRMIACGRPDMXLM-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341178;MM341178;CCN(C=O)OCC(N)=O;DAQJEKILKCYWNC-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341179;MM341179;CCC1(CN(C)C=O)CO1;FRGZTZKSOOOSHC-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341180;MM341180;C#CC(CC)CCC(=C)C;PSLIMTPIXXGGAF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341181;MM341181;CN(C=N)CC1(CN)CO1;CEGXOEDHVWFXQL-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341182;MM341182;C#CC(CN)CCC(=C)C;JHYOHKJONCYEOW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341183;MM341183;CN(C=O)CC1(CN)CO1;DVKSWRXPMTZBTR-UHFFFAOYSA-N;144.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341184;MM341184;CCC1CC(CCO)C1;JYKVFLUNYBFNIH-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341185;MM341185;CN(C=N)CC1(CO)CO1;DWWFDJAFBRJZBL-UHFFFAOYSA-N;144.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341186;MM341186;C#CC(CF)CCC(=C)C;ASWCOUZKTFFIAQ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341187;MM341187;CN(C=O)CC1(CO)CO1;LVYCYZHTSYMSIP-UHFFFAOYSA-N;145.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341188;MM341188;C#CC(CC)CCC(C)=O;POAPTVBXDVGMCV-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341189;MM341189;CCC1(CN(N)C=N)CO1;PTUHQJYZSCTYHR-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341190;MM341190;C#CC(CC)CCC(=N)N;NGUSGFBBMRVENA-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341191;MM341191;OCCC1CC(CO)C1;XBGAASRSYGUXNM-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341192;MM341192;CCC1(CN(N)C=O)CO1;UCPNJZRJDVKBAP-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341193;MM341193;C#CC(CC)CCC(=O)O;XILAZTIYCPKTLK-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341194;MM341194;N=CN(N)CC1(CO)CO1;XNZONBILNGUFOV-UHFFFAOYSA-N;145.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341195;MM341195;C#CC(CC)CCC(=C)F;UYBSMIWYAJYZQT-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341196;MM341196;C=NN(C)CC1(CC)CO1;OAEBCEMHMILRDA-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341197;MM341197;C#CC(CN)CCC(=C)F;VGOCGKUJYNVJIZ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341198;MM341198;C=NN(C)CC1(CN)CO1;CXEZXHBVXNWSGE-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341199;MM341199;C#CC(CCC(=C)C)NC;DHDPHGAUBJGYPL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341200;MM341200;CC1(CO)CC(CO)C1;CXWNWCAAKGMYEO-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341201;MM341201;C#CC(CCC(C)=O)NC;WJEXRKWCHDDCMV-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341202;MM341202;C#CC(C)CC1(CC)CC1;GLNJDOIOJYAJLJ-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341203;MM341203;C#CC(CCC(=N)N)NC;VNBUCVOPXUQDRD-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341204;MM341204;C#CC(C)CC1(CN)CC1;OFVPRIPYZMXHSR-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341205;MM341205;C#CC(CCC(=C)F)NC;IBVHPZDDWBMUKG-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341206;MM341206;CC=NNC(C)CC=O;TVJVYULQLXJHCY-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341207;MM341207;C#CC(CCC(=C)C)OC;QNSGTDITMSLLDZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341208;MM341208;C#CC(N)CC1(CC)CC1;XNBISNPJYGTLBL-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341209;MM341209;C#CC(CCC(=N)N)OC;AOJSHVRMCCXASY-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341210;MM341210;C#CC(N)CC1(CN)CC1;CPPUJGZPSOGWTB-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341211;MM341211;C#CC(CCC(N)=O)OC;KCDLMRDYCSKTNG-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341212;MM341212;C#CC(N)CC1(CO)CC1;SOFQRSPKGVPLCC-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341213;MM341213;C#CC(CO)CNC(C)=N;QILMDTAMNIEJBM-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341214;MM341214;C#CC(O)CC1(CC)CC1;PKTGOOWGTAPYRZ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341215;MM341215;C#CC(CF)CNC(C)=O;CJCCTHCYODFOIJ-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341216;MM341216;C#CC(O)CC1(CN)CC1;OMPKEQTVXDOTJP-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341217;MM341217;C#CC(CN)CNC(=N)N;WEFJPCXOGJFXAN-UHFFFAOYSA-N;140.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341218;MM341218;C#CC(F)CC1(CC)CC1;RZGRFHDBWRSXDS-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341219;MM341219;C#CC(CO)CNC(=N)N;IRQFYAPQRGQIPE-UHFFFAOYSA-N;141.17;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341220;MM341220;C#CC(F)CC1(CN)CC1;BMTFEHMRIADCBT-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341221;MM341221;C#CC(CF)CNC(=N)N;JHULCBVCBTXHRJ-UHFFFAOYSA-N;143.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341222;MM341222;C#CC(F)CC1(CO)CC1;NUBGZJHLHJGWGW-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341223;MM341223;C#CC(CO)CNC(N)=O;CMKSUOQDAXDKKS-UHFFFAOYSA-N;142.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341224;MM341224;C#CC(F)CC1(CF)CC1;CKPKPEQTOXKTSQ-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341225;MM341225;C#CC(CF)CNC(N)=O;OTPNODBOKDKOGF-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341226;MM341226;C#CC(C)CC1(NC)CC1;CMBPWMPGZSXIAU-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341227;MM341227;C#CC(CNC(C)=O)NC;NQVOIKMQVAHDJS-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341228;MM341228;C#CC(N)CC1(NC)CC1;RTMIUXAEUNQUCK-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341229;MM341229;C#CC(CNC(=N)N)NC;LZWPDONRBMZEFC-UHFFFAOYSA-N;140.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341230;MM341230;C#CC(O)CC1(NC)CC1;SBHLYMJBROIJPU-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341231;MM341231;C#CC(CNC(N)=O)NC;CAZGQLWGMUWHEW-UHFFFAOYSA-N;141.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341232;MM341232;C#CC(F)CC1(NC)CC1;XHDAAZXKFNYVQP-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341233;MM341233;C#CC(CNC(=N)N)OC;GKHGABUYNRAEKK-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341234;MM341234;C#CC(C)CC1(OC)CC1;LRGOVQITNHTSBY-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341235;MM341235;C#CC(CNC(N)=O)OC;DUXIOOXAXAOKQG-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341236;MM341236;C#CC(N)CC1(OC)CC1;AAAYKCHGIOQHCX-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341237;MM341237;C#CC(CC)COC(=C)C;JQWJEEGDUAUMJK-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341238;MM341238;C#CC(O)CC1(OC)CC1;SBKAVLIGKKKFKV-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341239;MM341239;C#CC(CN)COC(=C)C;CUAZCJPVFLIOQB-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341240;MM341240;C#CC(F)CC1(OC)CC1;RFUYXVZKZHAPJP-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341241;MM341241;C#CC(CO)COC(=C)C;VMEQAYPFLQATOX-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341242;MM341242;C#CC(C)NC1(CC)CC1;GQPWTNXXUHFDON-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341243;MM341243;C#CC(CF)COC(C)=O;UQOMAQRPYBBNPA-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341244;MM341244;C#CC(C)NC1(CN)CC1;JYLQURRHLTWJBK-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341245;MM341245;C#CC(CO)COC(=N)N;CUAPVRHQJGYFJF-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341246;MM341246;C#CC(C)OC1(CC)CC1;DTRWWKQQMODWOS-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341247;MM341247;C#CC(C)OC1(CN)CC1;SXHRUZWXLSMYJR-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341248;MM341248;C#CC(CF)COC(=N)N;CQOFTWWZVPGLAP-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341249;MM341249;C#CC(C)OC1(CO)CC1;BBGFMDXTLKRLOB-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341250;MM341250;C#CC(CC)COC(N)=O;MLNPXJLTACIFQM-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341251;MM341251;C#CC(C)OC1(OC)CC1;YFJWTPXWGLLTDX-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341252;MM341252;C#CC(COC(=N)N)NC;SQEIIZJPFGNXMQ-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341253;MM341253;C#CC(C)CC1(CN)CN1;PLCQYNBOSWRFQT-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341254;MM341254;C#CC(COC(=C)C)OC;JVYQRFPIGWLJOE-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341255;MM341255;C#CC(N)CC1(CC)CN1;ZBNJDVXFRBOQEP-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341256;MM341256;C#CC(CC)NCC(=C)C;PBMPHWBCXIDISU-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341257;MM341257;C#CC(N)CC1(CN)CN1;SZJYBJKYSSOFON-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341258;MM341258;C#CC(CC)NCC(=N)N;DFOVOJGQSOBHPP-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341259;MM341259;C#CC(N)CC1(CO)CN1;XLLQXTBLPGJREV-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341260;MM341260;C#CC(CN)NCC(=N)N;NLMCWWZNLZEUNH-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341261;MM341261;C#CC(O)CC1(CN)CN1;IUTKNPDAHXZNQC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341262;MM341262;C#CC(CO)NCC(=N)N;DGOYNYPATLNJBL-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341263;MM341263;C#CC(F)CC1(CN)CN1;XIZHSWNIBLGWAG-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341264;MM341264;C#CC(CN)NCC(=C)F;QKWFAQGWVBDAPC-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341265;MM341265;C#CC(C)CC1(CC)CO1;ZJMVCUCXCOCDQR-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341266;MM341266;C#CC(CO)NNC(C)=N;YSCMOXUCWVSDOM-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341267;MM341267;C#CC(C)CC1(CN)CO1;NMXVZNAKAWRUNW-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341268;MM341268;COC1CC(CCO)C1;HNXYIMXTGNFFNK-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341269;MM341269;C#CC(C)CC1(CO)CO1;ONTKOWDDVRPEIT-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341270;MM341270;C=C1C(C)=CC=C1CO;IHJBQPIVGGRRHK-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341271;MM341271;C#CC(C)CC1(CF)CO1;GRSGTUKCDLQLRG-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341272;MM341272;C#CC(CC)NNC(=N)N;IWGGJOGOPZXSGT-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341273;MM341273;C#CC(N)CC1(CC)CO1;QCVKLEPMLAVXHP-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341274;MM341274;C#CC(CN)NNC(=N)N;SNYFEINZIOQZHG-UHFFFAOYSA-N;141.18;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341275;MM341275;C#CC(N)CC1(CN)CO1;DVVDBIZTCNVZDL-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341276;MM341276;C#CC(CO)NNC(=N)N;OBDJZDAHANZPHV-UHFFFAOYSA-N;142.16;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341277;MM341277;C#CC(N)CC1(CO)CO1;XEXNVLHXCZMIKH-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341278;MM341278;C#CC(CO)NNC(N)=O;PZHSPNFAIJDLAJ-UHFFFAOYSA-N;143.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341279;MM341279;C#CC(CC)OCC(=C)C;BOIASDKLEPXZAZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341280;MM341280;C#CC(O)CC1(CC)CO1;FCWBCMHASXUZLF-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341281;MM341281;C#CC(CO)OCC(=C)C;RPWCTCZORLEHIY-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341282;MM341282;C#CC(O)CC1(CN)CO1;PBBPYNIXVUOGBG-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341283;MM341283;C#CC(F)CC1(CC)CO1;UKVKQWRNSFEGRZ-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341284;MM341284;C#CC(CC)OCC(C)=O;POZIDBNRWDFPOL-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341285;MM341285;C#CC(CO)OCC(=N)N;ZYBPVDMMDNGSAO-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341286;MM341286;C#CC(F)CC1(CN)CO1;FGNFVINQGZSDGM-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341287;MM341287;C#CC(CO)OCC(N)=O;HMYDZBXRSKRTQA-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341288;MM341288;C=CC1(CC(C)CC)CC1;RSYZMGQELLBKFL-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341289;MM341289;CCOC=C(OC)C(=O)O;RWXDYEBUFPUURU-UHFFFAOYSA-N;146.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341290;MM341290;C=CC1(CC(C)CN)CC1;CWOYGYZUZBMAME-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341291;MM341291;CC(F)C(O)C(F)C(=O)O;AAEBEKXCIXAHFG-UHFFFAOYSA-N;154.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341292;MM341292;CC(=NN)C(F)C=CF;GRSKJBHZIZVJRS-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341293;MM341293;C#CC(CC)OCC(=C)F;WUTGSBWBPGOMAE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341294;MM341294;C=CC1(CC(C)CF)CC1;GFPUJRUXSCOECX-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341295;MM341295;C#CC(OC)OCC(=C)C;YVSJJVZKFXOFPZ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341296;MM341296;CCC(C)CC1(C=O)CC1;CGBUWMJLXLJNEH-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341297;MM341297;C#CC(OC)OCC(=N)N;SCELXFLOTNLFLQ-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341298;MM341298;CCC(C)CC1(C#N)CC1;XKUFJBYYMHDYEB-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341299;MM341299;C#CC(OC)OCC(N)=O;BTPBPINAKBSBGO-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341300;MM341300;CC1=C(F)C(=O)C(=N)N1;QYWUSAOWYZMFDT-UHFFFAOYSA-N;128.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341301;MM341301;Oc1oc(F)nc1F;DABYMLQUVIBBMY-UHFFFAOYSA-N;121.04;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341302;MM341302;C=C(C(C)C)C1CC1O;BROCVCVZWKCEPN-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341303;MM341303;C#CC(OC)OCC(=C)F;MRWYIGRTWYTXAR-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341304;MM341304;CC(CF)CC1(C=O)CC1;FHHWMALEDRVKRS-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341305;MM341305;C=CC1(CC(N)CC)CC1;WQLRVDZTFOKJNO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341306;MM341306;C#CC(CO)ONC(=N)N;BOINWIMIKPQQDH-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341307;MM341307;C=CC1(CC(N)CN)CC1;XLEZXPBCJCATHN-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341308;MM341308;C#CC(CC)ONC(N)=O;LWKISNWRALZYLB-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341309;MM341309;C=CC1(CC(N)CO)CC1;GMPIKLSRXFBVAM-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341310;MM341310;C#CC(OC)ONC(C)=N;CBELWJJTKQGERP-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341311;MM341311;C=CC1(CC(N)CF)CC1;SEDDQLUWOHVZLZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341312;MM341312;C#CC(OC)ONC(=N)N;HERQHQOLWFYGEO-UHFFFAOYSA-N;143.15;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341313;MM341313;CC(C)=C(C)C1CC1O;GAQQTXYYYJGZNE-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341314;MM341314;C#CC(OC)ONC(N)=O;QCPAGTKJRXAAHK-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341315;MM341315;CCC(O)CC1(C=O)CC1;PXIDEMBNJNZJBS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341316;MM341316;C=CC(C=C)CCC(=C)C;PCFPTKWRTJDMNU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341317;MM341317;CCC(O)CC1(C#N)CC1;BSXYNBACCDZULT-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341318;MM341318;C=CC(C=O)CCC(=C)C;VCBOWFBFDSXCAU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341319;MM341319;O=CC1(CC(O)CO)CC1;IHABDUDBWCZCCG-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341320;MM341320;C=CC(C#N)CCC(=C)C;WULOPIVCEOCYJP-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341321;MM341321;N#CC1(CC(O)CO)CC1;KNGAJAZQEYLACR-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341322;MM341322;C=C(C)CCC(C#N)C#N;YRESEEHXUWUNLK-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341323;MM341323;N#CC1(CC(O)CF)CC1;RIMMJEGIQURLTE-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341324;MM341324;C=CC(C=C)CCC(C)=O;APPQYKWRUVQLLJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341325;MM341325;C=CC1(CC(F)CC)CC1;WPEBZDZHUKJYBM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341326;MM341326;C=CC(C#N)CCC(C)=O;HRJXYIMMXCJVOQ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341327;MM341327;C=CC1(CC(F)CN)CC1;UEIBQPYGOQNYIE-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341328;MM341328;CC(=O)CCC(C=O)C=O;DRNCNQURMSEMIT-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341329;MM341329;C=CC1(CC(F)CO)CC1;ZKCLTVPVGCTJBN-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341330;MM341330;C=CC(C=O)CCC(=N)N;UVOSFRWUHNPHAM-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341331;MM341331;CCC(F)CC1(C=O)CC1;LWVJTGJPZWRFSI-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341332;MM341332;CNc1noc(N)c1C;RFVIGQXSJMNVLR-UHFFFAOYSA-N;127.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341333;MM341333;CCC(F)CC1(C#N)CC1;IQECNBTXJRXUKM-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341334;MM341334;N=Nc1[nH]cc(N)c1F;PPGFTKZVZVRJIJ-UHFFFAOYSA-N;128.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341335;MM341335;O=CC1(CC(F)CO)CC1;PLYCFQQOPDPJLX-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341336;MM341336;C=CC(C=C)CCC(=O)O;KIJNBGWSQKEHQS-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341337;MM341337;N#CC1(CC(F)CO)CC1;NNLCUNKUUOEFMT-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341338;MM341338;CC1=CC(=CO)N=N1;ABJJHOBNVDXWJE-UHFFFAOYSA-N;110.12;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341339;MM341339;N#CC1(CC(F)CF)CC1;OMKFDBZAFXKCJF-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341340;MM341340;C=CC(C#N)CCC(=O)O;FCILBNVGDNTAQJ-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341341;MM341341;C=CC1(CC(C)NC)CC1;CPKKQUDXJZAENE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341342;MM341342;C=CC(C=C)CCC(=C)F;NCLOEXKZMPVSQO-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341343;MM341343;CNC(C)CC1(C=O)CC1;MEIPCVRWDMHIDT-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341344;MM341344;C=CC(C#N)CCC(=C)F;ITBODLLZJFQCTB-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341345;MM341345;CNC(C)CC1(C#N)CC1;KHVCSAMSOZBAMJ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341346;MM341346;C=C(F)CCC(C=O)C=O;VRUYCIVLTFATGN-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341347;MM341347;C=CC1(CC(C)OC)CC1;VGDIJLSXSMAZIC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341348;MM341348;C=CC(C=C)CNC(C)=N;ZEBURZIBZNNLHD-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341349;MM341349;COC(C)CC1(C=O)CC1;ATIKMTGOPOJBQX-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341350;MM341350;C=CC(C#N)CNC(C)=N;VQUZAGIRHKMRPG-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341351;MM341351;COC(C)CC1(C#N)CC1;PBSLIQFWGIMSIR-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341352;MM341352;COc1noc(C)c1N;CELLKHBWKDYOQE-UHFFFAOYSA-N;128.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341353;MM341353;C=CC1(NC(C)CC)CC1;HVORQAJGPZNTLC-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341354;MM341354;C=CC(C#N)CNC(=N)N;QLPOVUMMIGWTMJ-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341355;MM341355;C=CC1(NC(C)CN)CC1;ZLPKEUAFQSGNSL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341356;MM341356;N=C(N)NCC(C=O)C=O;ZIOFRRSUGBWVNW-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341357;MM341357;C=CC1(NC(C)CO)CC1;VPZWTFBNVOAXCS-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341358;MM341358;N#CC(C#N)CNC(=N)N;YDQKMIPPQUYMSC-UHFFFAOYSA-N;137.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341359;MM341359;CCC(C)NC1(C=O)CC1;CFTISRNAHGZTDY-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341360;MM341360;C=CC(C=O)CNC(N)=O;WXVHAZOGRUXGAD-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341361;MM341361;CCC(C)NC1(C#N)CC1;LFGWKLISLVZUEI-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341362;MM341362;C=CC(C#N)CNC(N)=O;PLRPKUAYSJBCSW-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341363;MM341363;C#CC1=CC(C)CC1O;VJQNFULUFAUBSU-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341364;MM341364;N#CC(C#N)CNC(N)=O;BHGDPSAZHJXCIL-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341365;MM341365;C=CC1(OC(C)CC)CC1;YTFLWIZGHFBDBY-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341366;MM341366;C=CC(C=C)COC(=C)C;RKYTZXYBJNXGMF-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341367;MM341367;C=CC1(OC(C)CN)CC1;VLBRLYJBUJPDGF-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341368;MM341368;C=CC(C#N)COC(=C)C;INWBOPTUEKRSAW-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341369;MM341369;C=CC1(OC(C)CO)CC1;VVAJARYADLUZRJ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341370;MM341370;C=C(C)OCC(C#N)C#N;ILMMYSKIDLQBQS-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341371;MM341371;C=CC1(OC(C)CF)CC1;PBLBRXRSOWRHCT-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341372;MM341372;C=CC(C=O)COC(C)=O;JJXOLKTVZNOTJN-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341373;MM341373;CCC(C)OC1(C=O)CC1;XQTWUFWOHZZTQP-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341374;MM341374;C=CC(C#N)COC(C)=O;UWNFXKILBYLHJY-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341375;MM341375;CCC(C)OC1(C#N)CC1;KKBFQJZDHPWKOW-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341376;MM341376;CC(=O)OCC(C=O)C=O;QOBUQWYNNFYOJG-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341377;MM341377;CC(CO)OC1(C=O)CC1;RJBYNECFBWUMCK-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341378;MM341378;N#CC(C=O)COC(=N)N;YIJFHUCKZFHDFA-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341379;MM341379;CC(CO)OC1(C#N)CC1;KIBURXYIOZKCAU-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341380;MM341380;C=CC(C=O)COC(N)=O;QLPIZNHCVZCGOR-UHFFFAOYSA-N;143.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341381;MM341381;CC(CF)OC1(C=O)CC1;VCZHTFXZIZUJBQ-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341382;MM341382;N#CC(C#N)COC(N)=O;DPRJZGOESNGQNE-UHFFFAOYSA-N;139.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341383;MM341383;CC(CF)OC1(C#N)CC1;QFPNJUVLFLCEGJ-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341384;MM341384;C=CC(C=C)NCC(=C)C;ZBDKCEUYBDYLMC-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341385;MM341385;C=CC1(OC(C)OC)CC1;OLYTWLGGKARMRB-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341386;MM341386;C=NN1CC1C(C)C=O;RDBLGDHHOJELCS-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341387;MM341387;COC(C)OC1(C=O)CC1;KOIYYOZJKKGKID-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341388;MM341388;CNN=CC#CCC=O;HCQWTURZNGLYCN-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341389;MM341389;COC(C)OC1(C#N)CC1;MPKVWISHXXIIRF-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341390;MM341390;C=CC(C=O)NCC(=N)N;ZACXFHHWNSXRNR-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341391;MM341391;C=CC1(CN(C)CC)CC1;QDBHNIWZSXBDME-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341392;MM341392;C=CC(C#N)NCC(=N)N;DTNVYWLODNOIBN-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341393;MM341393;CCN(C)CC1(C=O)CC1;YIWJWPIPSXMTBW-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341394;MM341394;N=C(N)CNC(C=O)C=O;FPOXRPUSLGZQAY-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341395;MM341395;C=CC1(CC(C)CN)CN1;PRGKFWFDIDOVIK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341396;MM341396;N#CC(C=O)NCC(=N)N;ZDNCYBXEUKHNGU-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341397;MM341397;CCC(C)CC1(C=O)CN1;CDNINZUPKAYWBW-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341398;MM341398;N#CC(C#N)NCC(=N)N;RTGUWPRPJCIXEQ-UHFFFAOYSA-N;137.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341399;MM341399;CCC(C)CC1(C#N)CN1;DIRGDIPOUZYRLQ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341400;MM341400;NC(=O)CNC(C=O)C=O;LLGOQQCDTVNGDU-UHFFFAOYSA-N;144.13;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341401;MM341401;C=C1C(=N)NN=C1C=O;RCHDBTHTONUAOU-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341402;MM341402;N#CC(C#N)NCC(N)=O;NKRPUKQVKBWEJM-UHFFFAOYSA-N;138.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341403;MM341403;C#CC(CO)C1CC1C;UIBIYJHYPZAKOJ-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341404;MM341404;N#CC(=NO)C1NC1C#N;YPBFKOJKMGSOSO-UHFFFAOYSA-N;136.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341405;MM341405;CC(CF)CC1(C=O)CN1;PWCMFOIQRQTKSG-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341406;MM341406;C=CC(C=C)NNC(C)=N;NGHNHYKKZOGOOQ-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341407;MM341407;C=CC1(CC(N)CC)CN1;LRUGSMFYAZWHTQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341408;MM341408;CC(=N)NNC(C#N)C=O;RUASEMGMUTXOAX-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341409;MM341409;C=CC1(CC(N)CN)CN1;SDFQWWUEUYVUBD-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341410;MM341410;CC(=N)NNC(C#N)C#N;RIYLXHLLYFXHDV-UHFFFAOYSA-N;137.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341411;MM341411;C=CC1(CC(N)CO)CN1;VWGOQRSLUXWTRE-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341412;MM341412;C=CCC(C)(C)CC(N)=O;HBZHVZIVQLAJEM-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341413;MM341413;C=CC1(CC(N)CF)CN1;CYWSBGJIMDPMIR-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341414;MM341414;CC(=O)NNC(C=O)C=O;XHRLCBXPOODPJG-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341415;MM341415;C=CC1(CC(O)CN)CN1;CZDMWACDOGVTDH-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341416;MM341416;CC(=O)NNC(C#N)C#N;OQKNNZOLENPWDU-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341417;MM341417;CC=C(CC)C1CC1O;HNMRBJOWDFEFCJ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341418;MM341418;C=CC(C#N)NNC(=N)N;XAEXJQDOLFCTJF-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341419;MM341419;CCC(C=O)C=NOC;SXNAWOAQTSYQOA-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341420;MM341420;N#CC(C#N)NNC(=N)N;HJARNTJSTIVSTJ-UHFFFAOYSA-N;138.13;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341421;MM341421;C#CCC#CC(C)(C)CO;WUCPLTDLKMWUBD-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341422;MM341422;C=C(C)CC(C)CC(N)=O;ZVHFJCDWKKIXJF-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341423;MM341423;CC#CC1(C)CC(CO)C1;BMSWTMDZGVKSOU-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341424;MM341424;C=CC(C=O)NNC(N)=O;FKWJIFYCCZUYOC-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341425;MM341425;CC(C)C1(C)CC(CO)C1;NXUFSBHREKSQQP-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341426;MM341426;C=CC(C#N)NNC(N)=O;DZGNWGGQBFDZBT-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341427;MM341427;CC(O)C1(C)CC(CO)C1;HSGOWNPWPRHNKU-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341428;MM341428;N#CC(C=O)NNC(N)=O;ARMQFHTVRPEKJI-UHFFFAOYSA-N;142.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341429;MM341429;C=CC1(CC(F)CN)CN1;ZTCZRNQNLWVWLX-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341430;MM341430;C=CC(C=O)OCC(=C)C;HXTANJSTZULUOD-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341431;MM341431;CCC(F)CC1(C=O)CN1;DRDMSOIUHRVPSX-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341432;MM341432;CCC(F)CC1(C#N)CN1;NYUUGXZNNZOLGW-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341433;MM341433;CC(=O)COC(C#N)C=O;CFDCGIYUSOQUEK-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341434;MM341434;CC=NOCC(C)CC=O;LXPJIXUEESLBRC-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341435;MM341435;C=CC(C#N)OCC(=N)N;VAKMUPCOXDGWAO-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341436;MM341436;CC#CC(=O)CON=CC;PCCFZURZMMOVFZ-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341437;MM341437;N=C(N)COC(C=O)C=O;QFCBQTWIHJHFSA-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341438;MM341438;N#CC1(CC(F)CF)CN1;LSPJXGFOLLQXJU-UHFFFAOYSA-N;146.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341439;MM341439;N#CC(C=O)OCC(=N)N;VSCHQRFUDBXOJC-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341440;MM341440;C=CC1(CC(C)NC)CN1;PQIFICBKCKZLQI-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341441;MM341441;N#CC(C#N)OCC(=N)N;CSRBQMCLDJVRFL-UHFFFAOYSA-N;138.13;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341442;MM341442;CNC(C)CC1(C=O)CN1;YBSMCMPHIFCJTQ-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341443;MM341443;C=CC(C=C)OCC(N)=O;PGGNDRRFVWHQMI-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341444;MM341444;CNC(C)CC1(C#N)CN1;GNZFPWWMHGRKES-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341445;MM341445;C=CC(C=O)OCC(N)=O;SCRYRNLCSLVJJK-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341446;MM341446;COC(C)CC1(C=O)CN1;AYWVDHJEHZYWDG-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341447;MM341447;C=CC(C#N)OCC(N)=O;USULDPYGFJBLBG-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341448;MM341448;COC(C)CC1(C#N)CN1;IAPZMHMFVQTEOP-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341449;MM341449;NC(=O)COC(C=O)C=O;DIFBEODTUYSFJO-UHFFFAOYSA-N;145.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341450;MM341450;C=CC1(CN(C)CC)CN1;VGGWRPCVDRYTDG-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341451;MM341451;N#CC(C=O)OCC(N)=O;QAJZQLCUXGQTAY-UHFFFAOYSA-N;142.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341452;MM341452;CCN(C)CC1(C#N)CN1;SGBWYULOABDASF-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341453;MM341453;N#CC(C#N)OCC(N)=O;QTNMVFLTMCDMSF-UHFFFAOYSA-N;139.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341454;MM341454;C=CC1(CC(C)CC)CO1;BSKVVCGBAHTJPA-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341455;MM341455;Nc1nnnc(=O)[nH]c1=O;HAEBGZWGXDJFPB-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341456;MM341456;C=CC1(CC(C)CN)CO1;SXJWMVSYVBTIIH-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341457;MM341457;N=c1onc(O)c(=N)n1O;FVYMBOBTLWGXRA-UHFFFAOYSA-N;144.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341458;MM341458;C=CC1(CC(C)CO)CO1;JFBWIJJVFWQEPS-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341459;MM341459;C=CC(C=C)OCC(=C)F;ZPLMALKZLFPZEY-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341460;MM341460;C=CC1(CC(C)CF)CO1;IRPUBTXBENEYGU-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341461;MM341461;C=CC(C=O)OCC(=C)F;NHUZTVSPHBWWSU-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341462;MM341462;CCC(C)CC1(C#N)CO1;UYAHKMDWDBGGSI-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341463;MM341463;C=C(F)COC(C#N)C#N;GBNCKRILBFSTOE-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341464;MM341464;CC(CO)CC1(C=O)CO1;YYWFLOIHVCSVDO-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341465;MM341465;C=CC(C=C)ONC(C)=O;MOXRCYMTUWOKPC-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341466;MM341466;CC(CO)CC1(C#N)CO1;WGNSLFPUVJWMNZ-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341467;MM341467;CC(CF)CC1(C=O)CO1;VJSPFPLJWUSYTJ-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341468;MM341468;N#CC(C=O)ONC(=N)N;OLPGNIOTISBUQG-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341469;MM341469;C=CC1(CC(N)CC)CO1;GJQKDONMPNPZNT-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341470;MM341470;C=CC(C=C)ONC(N)=O;ZBMYWPQIRPJZFO-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341471;MM341471;C=CC1(CC(N)CN)CO1;TUZMWCYMXXDTGX-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341472;MM341472;C=CC(C#N)ONC(N)=O;OASWZQUALWUBEQ-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341473;MM341473;C=CC1(CC(N)CO)CO1;XBRCIEOBONXDRP-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341474;MM341474;N#CC(C=O)ONC(N)=O;FFWDREWMWOFDAW-UHFFFAOYSA-N;143.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341475;MM341475;C=CC1(CC(N)CF)CO1;KFEZVIZWWLAKDN-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341476;MM341476;C=CN(C=N)CCC(=C)C;YHFPWVBWKHBESX-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341477;MM341477;C=CC1(CC(O)CC)CO1;BFGFKAQZMYBKDZ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341478;MM341478;C=CN(C=O)CCC(=C)C;GCVXWTGJWIEPHC-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341479;MM341479;C=CC1(CC(O)CN)CO1;XQHJSZZDEJTEPQ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341480;MM341480;C=CN(C=N)CCC(C)=O;QXUUNSHRLLMMCA-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341481;MM341481;C=CC1(CC(O)CO)CO1;PQYMEFNBXUOERP-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341482;MM341482;CC(=O)CCN(C=N)C=N;BNVXREHHJPURML-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341483;MM341483;C=CC1(CC(O)CF)CO1;FJHYHGPFBDATGC-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341484;MM341484;CC(C)=CC(C)CC(N)=O;YBZZXBLWMFMSSU-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341485;MM341485;CC(=O)CCN(C=O)C=O;VOFUWLGGOMMQPK-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341486;MM341486;CCC(O)CC1(C#N)CO1;RXNGGQHNDYWDQV-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341487;MM341487;C=CN(C=N)CCC(=N)N;RXPHLLUPFWRDKP-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341488;MM341488;N#CC1(CC(O)CO)CO1;QHPJWELWWBCJSP-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341489;MM341489;C=CN(C=O)CCC(=N)N;YNPDLWBHNZBYOP-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341490;MM341490;O=CC1(CC(O)CF)CO1;SXXSQESXNLQKIT-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341491;MM341491;N=CN(C=N)CCC(=N)N;JIDKSKNYYRWTPL-UHFFFAOYSA-N;141.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341492;MM341492;N#CC1(CC(O)CF)CO1;UCKFEPZDVUSLSL-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341493;MM341493;N=CN(C=O)CCC(=N)N;GPVONYHIOSGZDS-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341494;MM341494;C=CC1(CC(F)CC)CO1;VVUNPSFXAYQBTD-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341495;MM341495;N=C(N)CCN(C=O)C=O;MKELRXUGJVXSCE-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341496;MM341496;C=CC1(CC(F)CO)CO1;CKMAYPHMIYHJKE-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341497;MM341497;C=CN(C=N)CCC(N)=O;MMDPRYZWANGNNZ-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341498;MM341498;CCC(F)CC1(C#N)CO1;ZLUQEDDVBPDQFM-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341499;MM341499;C=CN(C=O)CCC(N)=O;XEJFWOPHZIPPEQ-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341500;MM341500;O=CC1(CC(F)CO)CO1;WCIKUNWOYQFWDJ-UHFFFAOYSA-N;148.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341501;MM341501;N=CN(C=N)CCC(N)=O;XJGJQRWQKQHVFL-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341502;MM341502;O=CC1(CC(F)CF)CO1;IYMBVFSPDGJMRT-UHFFFAOYSA-N;150.12;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341503;MM341503;C=C(CO)C(C)(C)C#CC;IILZNXVCCGOHBQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341504;MM341504;C=CC1(CC(C)NC)CO1;XCNLWECOEUVJJZ-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341505;MM341505;NC(=O)CCN(C=O)C=O;MZRAHVIEQUETLR-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341506;MM341506;CNC(C)CC1(C=O)CO1;FQCCRIZYMQDOCZ-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341507;MM341507;CN(C=NO)OCC(=O)O;XWARHLWYAJINDM-UHFFFAOYSA-N;148.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341508;MM341508;CNC(C)CC1(C#N)CO1;NHSALOBZLQNTRP-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341509;MM341509;CN(C=CF)C(=N)C(=O)O;IPUIDRYSJAVOBA-UHFFFAOYSA-N;146.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341510;MM341510;C=CC1(CC(C)OC)CO1;SEMTYRSPSZUKJZ-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341511;MM341511;C=CN(C=N)CCC(=C)F;PRQKBURMSUEAAA-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341512;MM341512;COC(C)CC1(C=O)CO1;USPUKAIMKACFTA-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341513;MM341513;C=CN(C=O)CCC(=C)F;XYHSHRZMWZSBKO-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341514;MM341514;COC(C)CC1(C#N)CO1;CDNMHXSXESYYTK-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341515;MM341515;CC(C)C=CCCC(N)=O;IJTFVKVOWSFPGL-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341516;MM341516;C=CC1(CN(C)CC)CO1;MSYAJCYHTBQSDT-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341517;MM341517;CC(O)C=CC=CC(C)O;DYBGHWQPPKPYIR-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341518;MM341518;CCN(C)CC1(C#N)CO1;RVRFGEQITHNMOP-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341519;MM341519;C=NN(C=N)CCC(=N)N;AWUQKWWFAGOTPZ-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341520;MM341520;C=CC(C)CC1(C=C)CC1;KIFJHWGMADJOCO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341521;MM341521;C=NN(C=O)CCC(=N)N;FLSIILFBAYNHSY-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341522;MM341522;C=CC1(CC(C)C=O)CC1;QELFLQMXFSPLHB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341523;MM341523;C=CCCC(C)CC(N)=O;UANGBMPUFHEJSU-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341524;MM341524;C=CC1(CC(C)C#N)CC1;MSAVOKSGDUODAE-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341525;MM341525;CC=CCC(C)CC(N)=O;JYMQENHOMMNFCD-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341526;MM341526;C=CC(C)CC1(C=O)CC1;ZPPDOELCODJUJJ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341527;MM341527;CC1=C(F)C(=CO)C=N1;BUWSPCPYDPDHCA-UHFFFAOYSA-N;127.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341528;MM341528;C=CC(C)CC1(C#N)CC1;RPEPUDFBNUGYAW-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341529;MM341529;CN=c1o[nH]c(C#N)c1F;PPXXFYJCFYOGMO-UHFFFAOYSA-N;141.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341530;MM341530;CC(C=O)CC1(C=O)CC1;ROZGHROOGNFKNP-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341531;MM341531;CCC=CC(C)CC(N)=O;JPYBDGJKXVLDRC-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341532;MM341532;CC(C=O)CC1(C#N)CC1;QCKWMLPXZHKEBN-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341533;MM341533;CC(=O)CNN(C=N)C=N;WKQVUQKJLDUTSQ-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341534;MM341534;CC(C#N)CC1(C=O)CC1;QJZSQCOHVVRFBE-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341535;MM341535;C=C(CCC)CCC(N)=O;RCVICWILRWPPPX-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341536;MM341536;CC(C#N)CC1(C#N)CC1;OSSQAZWEEQCLAG-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341537;MM341537;CCC=C(C)CCC(N)=O;MIAZHRCYBFBKEK-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341538;MM341538;C=CC(N)CC1(C=C)CC1;ICDZSIYMFOUNJB-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341539;MM341539;C=CN(C=N)NCC(=N)N;YRSRKCVQOCOVKQ-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341540;MM341540;CC(CC=O)NN=CCF;WIADXQOXRAKEJS-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341541;MM341541;C=CN(C=O)NCC(=N)N;JWYHODNOKAWTET-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341542;MM341542;C=CC1(CC(O)C#N)CC1;BEDXYFCGIXQMKY-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341543;MM341543;N=CN(C=N)NCC(=N)N;SVLRPLNELYQHON-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341544;MM341544;C=CC(O)CC1(C=O)CC1;VNMXMGKDIYTXCT-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341545;MM341545;N=CN(C=O)NCC(=N)N;OFWHEKCUDBPROD-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341546;MM341546;C=CC(O)CC1(C#N)CC1;HINWVTVGZMPPCY-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341547;MM341547;N=C(N)CNN(C=O)C=O;FCUVEJHWAATJKK-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341548;MM341548;N#CC1(CC(O)C=O)CC1;BZPVKFOGSJHQDW-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341549;MM341549;C=CN(C=N)NCC(N)=O;BTQXVSRFDMJJOY-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341550;MM341550;N#CC(O)CC1(C=O)CC1;DBHDWAJFBHPPBJ-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341551;MM341551;C=C(CCC(N)=O)C(C)C;GEWBNVLLTLDBRR-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341552;MM341552;N#CC(O)CC1(C#N)CC1;HINPBCXMWPNNDB-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341553;MM341553;N=CN(C=N)NCC(N)=O;AEODBDLGPIUUAK-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341554;MM341554;C=CC(F)CC1(C=C)CC1;QLPPLYUCAUWDSE-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341555;MM341555;CC(C)=C(C)CCC(N)=O;CYGZSCGBPMUHCD-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341556;MM341556;C=CC1(CC(F)C=O)CC1;LEYQEQTXHKEOAU-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341557;MM341557;CCC(C)=CCCC(N)=O;DWSVURIWEHJALB-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341558;MM341558;C=CC1(CC(F)C#N)CC1;OENLVGVRERGZCD-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341559;MM341559;NC(C=O)=NCCC(=O)O;SXHNHFNKNPLBLW-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341560;MM341560;C=CC(F)CC1(C=O)CC1;KEZCOMXKVREDSS-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341561;MM341561;C=C(F)CNN(C=N)C=O;HFTWJCYDKFVSAP-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341562;MM341562;C=CC(F)CC1(C#N)CC1;UCOAVDXISLALMD-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341563;MM341563;C=C(F)CNN(C=O)C=O;CELKWKKBYZVVQC-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341564;MM341564;N#CC1(CC(F)C=O)CC1;KIJBZXKWIKTYOJ-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341565;MM341565;C=CN(C=N)OCC(=N)N;MPLDXWQLDSSDOM-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341566;MM341566;N#CC(F)CC1(C=O)CC1;JWPALAVLJGQDDN-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341567;MM341567;C=CN(C=O)OCC(=N)N;YVXSCCMLDHUYHW-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341568;MM341568;N#CC(F)CC1(C#N)CC1;GFPXYLVIFMEKHP-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341569;MM341569;N=CN(C=O)OCC(=N)N;JEXVRMFPYGNXLH-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341570;MM341570;C=CC(C)NC1(C=C)CC1;ZHVVLUOGKYNIQN-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341571;MM341571;N=C(N)CON(C=O)C=O;GBYZWYCGDKOUDR-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341572;MM341572;C=CC1(NC(C)C#N)CC1;FXCCYHIKIVPQDE-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341573;MM341573;C=CN(C=N)OCC(N)=O;VYPPKZNBCZEYDT-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341574;MM341574;C=CC(C)NC1(C#N)CC1;SNBNDLNKBJLVPV-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341575;MM341575;C=CN(C=O)OCC(N)=O;IECZJOGHBFWNPQ-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341576;MM341576;C=CC=NNC(C)CC=O;AJLSIYUIQSKHAI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341577;MM341577;C=CC(C)C(C)CC(N)=O;NUKYPHGPASQSGM-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341578;MM341578;CC(C#N)NC1(C=O)CC1;SFVICRFUSXNXQJ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341579;MM341579;NC(=O)CON(C=O)C=O;IXUSRPWAOHAZDP-UHFFFAOYSA-N;146.1;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341580;MM341580;CC(C#N)NC1(C#N)CC1;OIOBXKVWRZAKGO-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341581;MM341581;CNC(C)=C(C)C(=O)O;UAVPNUPWMNNHDZ-UHFFFAOYSA-N;129.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341582;MM341582;C=CC(C)OC1(C=C)CC1;YMHSMYWVDUIRLS-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341583;MM341583;O=CNC(=NO)C(F)F;LVRUGQGHXSHEBM-UHFFFAOYSA-N;138.07;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341584;MM341584;C=CC1(OC(C)C=O)CC1;JNTBUTDUSLGXSO-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341585;MM341585;C=C(F)CON(C=N)C=O;STPKEYOUUXWGLM-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341586;MM341586;C=CC1(OC(C)C#N)CC1;QIOWXRFNLYYDMD-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341587;MM341587;C#CC(C=C)CCC(=C)C;KVPIILYVBHAACA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341588;MM341588;C=CC(C)OC1(C=O)CC1;BDRFBRZSQXLVJO-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341589;MM341589;C#CC(C#N)CCC(=C)C;QNCPCIDXIVPSDA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341590;MM341590;C=CC(C)OC1(C#N)CC1;XZJNDPAIUWVOGE-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341591;MM341591;C#CC(C=C)CCC(C)=O;RVZPYHFPOGKVBF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341592;MM341592;CC(C=O)OC1(C=O)CC1;TULFAHWUVODUCU-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341593;MM341593;C#CC(C#N)CCC(C)=O;RUOHUWJEULELCW-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341594;MM341594;CC(C=O)OC1(C#N)CC1;GLZBYGZCFQRAIG-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341595;MM341595;C#CC(C=C)CCC(=O)O;MWCVFJXSUUZVPP-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341596;MM341596;CC(C#N)OC1(C=O)CC1;CRANREZMHHCCLV-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341597;MM341597;C#CC(C#N)CCC(=O)O;XJORGQGPUACIFC-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341598;MM341598;CC(C#N)OC1(C#N)CC1;OJEHAKSSLQZOOJ-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341599;MM341599;C#CC(C=C)CCC(=C)F;QMCJMAFBORUMTK-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341600;MM341600;C=CC1(CN(C)C=N)CC1;XSQCNHLYWZVFSQ-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341601;MM341601;C#CC(C=O)CCC(=C)F;BCDIPWIURJZKHJ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341602;MM341602;C=CC1(CN(C)C=O)CC1;JEALWVJHLRTSSQ-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341603;MM341603;C#CC(C=C)CNC(C)=N;HMFQSMZDHCRBEW-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341604;MM341604;CN(C=N)CC1(C=O)CC1;OWDUBKDWHUCQFE-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341605;MM341605;C#CC(C=C)CNC(C)=O;VJRIQUPPOQLTKG-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341606;MM341606;CN(C=N)CC1(C#N)CC1;GYEOGMIBRPRENO-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341607;MM341607;C#CC(C=O)CNC(=N)N;YLVQVNNDVNLAHG-UHFFFAOYSA-N;139.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341608;MM341608;CN(C=O)CC1(C=O)CC1;YOJMJFUIWMGUQY-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341609;MM341609;C#CC(C#N)CNC(=N)N;PZYAAXHTKFZRBN-UHFFFAOYSA-N;136.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341610;MM341610;CN(C=O)CC1(C#N)CC1;NKRWAHRZVDWTAX-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341611;MM341611;C#CC(C=C)CNC(N)=O;PHOKBQUCAMYYHG-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341612;MM341612;C=CC1(CN(N)C=N)CC1;YWFQVKQKKKLIOY-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341613;MM341613;C#CC(C=O)CNC(N)=O;FTULINPOINZFBB-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341614;MM341614;C=CC1(CN(N)C=O)CC1;BAHQNCORMUJQSU-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341615;MM341615;C#CC(C#N)CNC(N)=O;YVLLROKCHHBVSA-UHFFFAOYSA-N;137.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341616;MM341616;C=CC1(CN(O)C=N)CC1;WMEOMSJOFNGJST-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341617;MM341617;C#CC(C=C)COC(C)=O;ZVDLJULGJBUCPO-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341618;MM341618;C=CC1(CN(O)C=O)CC1;JNDATPDDIOLZFZ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341619;MM341619;C#CC(C=O)COC(N)=O;PYHIEFMVQVXFEM-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341620;MM341620;C=CC1(CN(C)N=C)CC1;MGZGKYRZLVGZNW-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341621;MM341621;C=NN(C)CC1(C=O)CC1;QXCNVSGLALZXKM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341622;MM341622;C=C(CC)C(C)CC(N)=O;AIEZAGHETUPCSB-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341623;MM341623;C=NN(C)CC1(C#N)CC1;NWLYYKZIRKTKPP-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341624;MM341624;C#CC(C=C)NCC(=N)N;ZGVHQZMVROEYDG-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341625;MM341625;C=CC1(NN(C)C=N)CC1;ONALTHUPKVMBJN-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341626;MM341626;C#CC(C=O)NCC(=N)N;FHMQZKNGMXSMAM-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341627;MM341627;C#CC(C#N)NCC(=N)N;CZPQLMQGKZNXKX-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341628;MM341628;C=CC1(NN(C)C=O)CC1;YGYPVBSVRNCGSG-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341630;MM341630;CN(C=N)NC1(C#N)CC1;HYAFLWMJNCDZGP-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341629;MM341629;CC=C(C)C(C)CC(N)=O;AFEIHOVZOFMHNW-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341631;MM341631;CN(C=O)NC1(C#N)CC1;NXFSFJSQIOCJJW-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341632;MM341632;C#CC(C#N)NNC(C)=N;VHUDKHXWVFKHLO-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341633;MM341633;C=CC1(ON(C)C=N)CC1;UETZNUHDFDXTCV-UHFFFAOYSA-N;140.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341634;MM341634;CC1(CF)CC(CCO)C1;GKTJOVWVIAADTR-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341635;MM341635;C=CC1(ON(C)C=O)CC1;IUQHOYSLJKCVAA-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341636;MM341636;C#CC(C=O)NNC(C)=O;PTVPLZQWZAWLRY-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341637;MM341637;CN(C=N)OC1(C=O)CC1;SVUSDLMVJXNOGQ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341638;MM341638;C#CC(C#N)NNC(C)=O;MPYUQCDMMZZSAK-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341639;MM341639;CN(C=N)OC1(C#N)CC1;VPJYACLLFRSRAL-UHFFFAOYSA-N;139.16;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341640;MM341640;C#CC(C=C)NNC(=N)N;UYSXYRWGNNXZSG-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341641;MM341641;CN(C=O)OC1(C#N)CC1;APKRXRYHFPCOAY-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341642;MM341642;C#CC(C=O)NNC(=N)N;PNALUAUSURUEMJ-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341643;MM341643;C#CC(C=C)NNC(N)=O;WKRCUCMEWQIQNG-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341644;MM341644;C=CC1(CC(C)C#N)CN1;PSVLCUFQYZSWGM-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341645;MM341645;C=CC(C)CC1(C=O)CN1;KXSZUKMIAPSFNZ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341646;MM341646;C#CC(C=O)NNC(N)=O;OACVMHQLIQMFEQ-UHFFFAOYSA-N;141.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341647;MM341647;C=CC(C)CC1(C#N)CN1;JHRKXKCLXZCOHW-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341648;MM341648;C#CC(C=O)OCC(=C)C;RHSMUDRFXARBII-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341649;MM341649;C#CC=NNC(C)CC=O;QLIODKHJBBYRII-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341650;MM341650;C#CC(C=C)OCC(C)=O;XUIUESNHNUXNSX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341651;MM341651;C=NNC(C)=NN=CCF;LWVRWKCAAXROID-UHFFFAOYSA-N;144.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341652;MM341652;C#CC(C=O)OCC(=N)N;DDYOMJKHUOHXHX-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341653;MM341653;C#CC(C#N)OCC(=N)N;AISUBLMHPUQOFK-UHFFFAOYSA-N;137.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341654;MM341654;CC(C#N)CC1(C=O)CN1;KNKQPNPTYIXUQF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341655;MM341655;C#CC(C=O)OCC(N)=O;AJHWYROLSKHLEH-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341656;MM341656;CC(C#N)CC1(C#N)CN1;NZEVDYIFHUVJSM-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341657;MM341657;C#CC(C#N)OCC(N)=O;IBVSSLOWUILPLR-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341658;MM341658;C=CC(N)CC1(C=C)CN1;AEZMHVRHKNGGCB-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341659;MM341659;CC(=O)CC(F)C(=O)O;WCXHVERUEBNJIE-UHFFFAOYSA-N;134.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341660;MM341660;C#CC=NN=C(C)NN=C;MIYBWIBKCBSSEM-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341661;MM341661;C=NN=C(C)C(=C)CC=O;OKJQRUCSAGHCNE-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341662;MM341662;C#CC(C=C)ONC(C)=N;SIQXTZCFABTXES-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341663;MM341663;CCC(CO)=C(C)C(C)C;AMLCTQMCGBZTBA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341664;MM341664;C#CC(C#N)ONC(=N)N;SJYLFOIELUQKNH-UHFFFAOYSA-N;138.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341665;MM341665;C=C(C)C(O)CC#CCF;YWMXXBGRILEMNG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341666;MM341666;C#CC(C=O)ONC(N)=O;RIXKGALWSIPQIU-UHFFFAOYSA-N;142.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341667;MM341667;C#CCC(C=CF)CCO;AHZRAHSHMUWWEA-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341668;MM341668;C#CC(C#N)ONC(N)=O;DAXXPZNXICFSHH-UHFFFAOYSA-N;139.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341669;MM341669;CC1=C(F)CC(=O)N(N)C1;QUDZJOJELAVPDG-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341670;MM341670;C#CC(C#C)CCC(=C)C;KJSHBNBYRAWHFL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341671;MM341671;C#CC(C#C)CCC(C)=O;GVYKIOXRTHJOPH-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341672;MM341672;C#CC(C#C)(C=C)CCO;UVXWOSGMZCUHCY-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341673;MM341673;N#CC(O)CC1(C#N)CN1;QNWNOCNPCRMSJU-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341674;MM341674;C#CC(C#C)CCC(N)=O;IIJLYSURCRWXPT-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341675;MM341675;C=CC1(CC(F)C#N)CN1;HCNCHLJYDCPGJE-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341676;MM341676;C#CC(C#C)CCC(=C)F;RBNINKCZIODQPR-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341677;MM341677;C=CC(F)CC1(C#N)CN1;ZSNNEGMYRDKZIN-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341678;MM341678;C#CC(C#C)CNC(C)=O;JZDKFTQCXWBTGM-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341679;MM341679;C#CC(CO)C1CC1(C)C;DYGQNMMUCABHAT-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341680;MM341680;C#CC(C#C)CNC(=N)N;ZKBSVPOMGBUWGJ-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341681;MM341681;N#CC(F)CC1(C=O)CN1;MULMZYOEOODMSL-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341682;MM341682;C#CC(C#C)COC(=C)C;WBZNRIAYTMIGSB-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341683;MM341683;N#CC(F)CC1(C#N)CN1;PTOUMLSLMWQLHR-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341684;MM341684;C#CC(C#C)COC(C)=O;YSIKETHOXODAOA-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341685;MM341685;C=CC1(CN(C)C=N)CN1;DEGIPDYESIIUGE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341686;MM341686;C#CC(C#C)NCC(=N)N;SBIQYRZFZZNQMH-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341687;MM341687;C=CC1(CN(C)C=O)CN1;LCUPNYWWBNPXMV-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341688;MM341688;C#CC(C#C)NNC(C)=N;AJLHPPMJSNLPFC-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341689;MM341689;CN(C=N)CC1(C#N)CN1;CIMZSBYDQRNYSL-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341690;MM341690;C#CC(C#C)NNC(=N)N;WNFDDGQYYOCIEL-UHFFFAOYSA-N;136.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341691;MM341691;CN(C=O)CC1(C=O)CN1;AFYSJWKGDUPVIU-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341692;MM341692;C#CC(C#C)NNC(N)=O;OKJAZWKFKMSOOW-UHFFFAOYSA-N;137.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341693;MM341693;CN(C=O)CC1(C#N)CN1;ZLDQEZCOFOOWRX-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341694;MM341694;C#CC(C#C)OCC(=N)N;NOZULXMWPRLIEV-UHFFFAOYSA-N;136.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341695;MM341695;C=CC1(CN(N)C=N)CN1;UCQKJYAYJSEEHN-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341696;MM341696;C#CC(C#C)OCC(N)=O;UNSNBIWRPAUKIW-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341697;MM341697;C=CC1(CN(N)C=O)CN1;BGKWEMUMWIWDFU-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341698;MM341698;CC=C(CC)CCC(C)C;GMENEXGDXVABTL-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341699;MM341699;C=CC1(CN(C)N=C)CN1;QFGSTUQLYNJHNQ-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341700;MM341700;CCC(=CF)CCC(C)C;RNABLFZHYZEOPQ-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341701;MM341701;C=NN(C)CC1(C=O)CN1;YONUGPUEORIZKG-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341702;MM341702;CC=C(CN)CCC(C)C;DYLVYVDZTFLDID-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341703;MM341703;C=NN(C)CC1(C#N)CN1;CUTGYIDYTWXWSH-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341704;MM341704;CC(C)CCC(=CF)CN;OKMLNNYQMICEKS-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341705;MM341705;C=CC(C)CC1(C=C)CO1;VKJQKQVGRLMYFQ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341706;MM341706;CCC1(O)CC(CCO)C1;UEVFJGVSVUDBLA-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341707;MM341707;C=CC1(CC(C)C=O)CO1;WZYBCVCFHYXWHQ-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341708;MM341708;CC=C(CF)CCC(C)C;FPZVZYSREMIWNU-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341709;MM341709;CC=C(CC)CCC(C)N;LQZVITKYDGJPOV-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341710;MM341710;C=CC1(CC(C)C#N)CO1;FZERJKBXXLQJKC-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341711;MM341711;CCC(=CF)CCC(C)N;CNRYCSYYTSAFAM-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341712;MM341712;C=CC(C)CC1(C=O)CO1;FEQZUDIEPQCRPC-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341713;MM341713;CC=C(CN)CCC(C)N;MKXJNKXTKXBART-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341714;MM341714;C=CC(C)CC1(C#N)CO1;AYPAJIITQDDLPD-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341715;MM341715;CC=C(CO)CCC(C)N;WITIGXXFOXNVAK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341716;MM341716;CC(C=O)CC1(C#N)CO1;VIIKRYIUEMDCEV-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341717;MM341717;CC=C(CF)CCC(C)N;SIWKTXPXVSTXAT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341718;MM341718;CC(C#N)CC1(C=O)CO1;PGOWPQHHCRQZED-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341719;MM341719;CC(N)CCC(=CF)CF;RVEOUGKWTZWFHL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341720;MM341720;CC(C#N)CC1(C#N)CO1;RWCBEZHNPIQJCG-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341721;MM341721;C=CC1(C)CC(CCO)C1;ZAWYEFIOARCGNT-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341722;MM341722;C=CC(N)CC1(C=C)CO1;WUHUABRSKHLNKP-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341723;MM341723;C=CCC(CC)CC(N)=O;NCTIYJBNZJMNPY-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341724;MM341724;C=CC(O)CC1(C=C)CO1;JMTQLTLRLZEFRG-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341725;MM341725;CC=C(CN)CCC(C)O;NYPQRHJBOUCFGZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341726;MM341726;C=CC1(CC(O)C=O)CO1;KGARTCDZSMFHSF-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341727;MM341727;C=CC(CCC)CC(N)=O;STUZDBYUYHNVTG-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341728;MM341728;C=CC1(CC(O)C#N)CO1;JZLUGJQWFHSCCF-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341729;MM341729;CC=CC(CC)CC(N)=O;CAMHOMMOFSTSLE-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341730;MM341730;C=CC(O)CC1(C=O)CO1;APEUWAGFPHSZNL-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341731;MM341731;C=CC(CC(N)=O)C(C)C;SJEKHBPHGJPYGV-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341732;MM341732;C=CC(O)CC1(C#N)CO1;SQIBTYUNPAUYCO-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341733;MM341733;CC=C(CC)CCC(C)F;WUSVLSMMOAOFOR-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341734;MM341734;O=CC(O)CC1(C=O)CO1;IOUPCRHSZCYKJZ-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341735;MM341735;CC=C(CN)CCC(C)F;CMBFBRXKIQCYRZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341736;MM341736;N#CC1(CC(O)C=O)CO1;MZEDSFQYFWXSDM-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341737;MM341737;CC(F)CCC(=CF)CN;OBQGKEMGCADJAV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341738;MM341738;N#CC(O)CC1(C#N)CO1;HFSAPXVQPGKAQZ-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341739;MM341739;CCCC=CCCC(N)=O;OADSMBXFJIAAJA-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341740;MM341740;C=CC(F)CC1(C=C)CO1;PVDMKLGGCBIKLN-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341741;MM341741;CC=C(CF)CCC(C)F;RZJZRUHVLIWCLZ-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341742;MM341742;C=CC1(CC(F)C#N)CO1;MGVQGSMMUCWPBW-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341743;MM341743;CC(F)CCC(=CF)CF;VDGGCQBNUCNRRG-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341744;MM341744;C=CC(F)CC1(C#N)CO1;DONKNELLLNTNEE-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341745;MM341745;CC=C(CC)CCC(F)F;WYTDLMDRTUSLQN-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341746;MM341746;N#CC(F)CC1(C=O)CO1;HMEAHDNANGGRCT-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341747;MM341747;CC=C(CN)CCC(F)F;UJCSJYQLZVYNOR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341748;MM341748;N#CC(F)CC1(C#N)CO1;VZQSZRQBIFHFKG-UHFFFAOYSA-N;140.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341749;MM341749;NCC(=CF)CCC(F)F;GYIZBPXSJJSGQY-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341750;MM341750;C=CC1(CN(C)C=N)CO1;PNCNGRKKMKVRSB-UHFFFAOYSA-N;140.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341751;MM341751;C#CCC=CC=CC(C)O;JSCRYLXTACNOKL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341752;MM341752;C=CC1(CN(C)C=O)CO1;QLOJWQHVEYMMSG-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341753;MM341753;OCC(=CF)CCC(F)F;IJUSOHBFDZICLO-UHFFFAOYSA-N;154.13;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341754;MM341754;CN(C=N)CC1(C=O)CO1;ZDMZUAUZCXYJRX-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341755;MM341755;CC=C(CF)CCC(F)F;BVCXBHQWDHBLRE-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341756;MM341756;CN(C=N)CC1(C#N)CO1;GMYFEEBRBZDXNI-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341757;MM341757;FC=C(CF)CCC(F)F;XXLOBARAGOLJEO-UHFFFAOYSA-N;156.12;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341758;MM341758;CN(C=O)CC1(C=O)CO1;MUVJXLZWPWWJKY-UHFFFAOYSA-N;143.14;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341759;MM341759;CCC(CCC(C)C)=NN;POVVGKSRMVNHIP-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341760;MM341760;CN(C=O)CC1(C#N)CO1;PVWOZODINGKWOK-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341761;MM341761;CCC(CCC(C)C)=NO;DOTDCHQCOGZZOH-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341762;MM341762;C=CC1(CN(N)C=N)CO1;QKSAQQUNSREAAX-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341763;MM341763;CC#CC=CC=CC(C)O;FXOHZKXQEPGHQQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341764;MM341764;C=CC1(CN(N)C=O)CO1;CPXXJZBFRRKSCH-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341765;MM341765;CC(C)CCC(CF)=NN;ZYVIFXFWWZUHIK-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341766;MM341766;C=CC1(CN(C)N=C)CO1;MIMABDRJZQMRRG-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341767;MM341767;CCC(CCC(C)N)=NO;XBICYRKTRUPTDP-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341768;MM341768;C=NN(C)CC1(C#N)CO1;LWAPKPFYUYAVOS-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341769;MM341769;CCC(CCC(C)O)=NO;VZRJIQAXBGKEPK-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341770;MM341770;C#CC(C)CC1(C=C)CC1;KQOKMZDXDLYMCY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341771;MM341771;CCC(CCC(C)F)=NN;QCFKMIMEFOCIQX-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341772;MM341772;C#CC(C)CC1(C=O)CC1;FOGIDHYACBGLIJ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341773;MM341773;CCC(CCC(C)F)=NO;LSDLTJCMPCICSH-UHFFFAOYSA-N;147.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341774;MM341774;C#CC(C)CC1(C#N)CC1;YBXZLBPIVAOZEM-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341775;MM341775;CCC(CCC(F)F)=NO;OUGKGFPWZRLTKD-UHFFFAOYSA-N;151.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341776;MM341776;C#CC(N)CC1(C=C)CC1;HBGBRCKWWYLQCE-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341777;MM341777;CN=C(CCC(C)C)NC;HHWYKYDTAQAJQC-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341778;MM341778;C#CC(O)CC1(C=C)CC1;ATBIAFPLBHKOLH-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341779;MM341779;CN=C(CCC(C)C)NN;LIERDCAQXFTCSY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341780;MM341780;C#CC(O)CC1(C#N)CC1;FBJKLVQHAWWOMH-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341781;MM341781;CN=C(CCC(C)N)NO;NMVUHJUYTWDPJW-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341782;MM341782;C#CC(F)CC1(C=C)CC1;UTAHWHVEQIBGEH-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341783;MM341783;CN=C(CCC(C)O)NC;PHASVOSDFALKPH-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341784;MM341784;CN=C(CCC(C)O)NN;GINCWCKLJQBYRA-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341785;MM341785;C#CC(F)CC1(C=O)CC1;CTOLGBCGCLBPLE-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341786;MM341786;CN=C(CCC(F)F)NC;HJCHVUKEAFORHJ-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341787;MM341787;C#CC(F)CC1(C#N)CC1;KGSWHGAFQGOONE-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341788;MM341788;CC=C(CCC(C)C)OC;LUYMWCCLSQITTB-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341789;MM341789;C#CC(C)NC1(C=C)CC1;QHXQSMOSLGERAJ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341790;MM341790;CC=C(CCC(C)N)OC;WCTQPBMZBCDRIM-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341791;MM341791;C#CC(C)NC1(C#N)CC1;YPBWBLDGRLQKLQ-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341792;MM341792;CC=C(CCC(C)O)OC;MIXKGKBOLBYOGM-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341793;MM341793;C#CC(C)OC1(C=C)CC1;AQHBSOIBOUZJNZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341794;MM341794;CC=C(CCC(C)F)OC;OKBJFTQMNHZGJE-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341795;MM341795;C#CC(C)OC1(C=O)CC1;SSVZTTHVYSWSQM-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341796;MM341796;CC=C(CCC(F)F)OC;VULSFCFWKXNZNV-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341797;MM341797;C#CC(C)OC1(C#N)CC1;YIIVGRWJGZPYDQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341798;MM341798;COC(CCC(C)N)=NO;NEFGAKIKBFTXRB-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341799;MM341799;C#CC(C)CC1(C=O)CN1;GENKZRKRPQKOGE-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341800;MM341800;COC(CCC(C)O)=NO;NELDQMPIIAFNBN-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341801;MM341801;C#CC(C)CC1(C#N)CN1;GMEUKLBRQFYULK-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341802;MM341802;C#CC(C#C)=C(C)C(C)O;GJFYEJXBJMRCAJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341803;MM341803;C#CC(N)CC1(C=C)CN1;AXRZNNKHUZYSPQ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341804;MM341804;CC(F)C1CC(CCO)C1;GATFHLRJWGEWLG-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341805;MM341805;CCC1(CC)CC(CO)C1;WOZXMEJHIREVGP-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341806;MM341806;COC(CCC(F)F)=NO;LNYLFUXJWIYWAI-UHFFFAOYSA-N;153.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341807;MM341807;C#CC(F)CC1(C#N)CN1;SRQYTPPOYXGOCK-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341808;MM341808;CC=C(CC)CNC(C)C;CQCIKZLVIRTPCF-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341809;MM341809;CCC(=CF)CNC(C)C;PESYRJTYJAXVGU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341810;MM341810;C#CC(C)CC1(C=C)CO1;FPLMRYXJOKASLT-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341811;MM341811;CC=C(CN)CNC(C)C;FIEZLQUWNHVTSU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341812;MM341812;C#CC(C)CC1(C=O)CO1;MSECKSLPISLIED-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341813;MM341813;CC(C)NCC(=CF)CN;QMKSVRJJHFXEEV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341814;MM341814;C#CC(C)CC1(C#N)CO1;GPDHTHWZWDZAJG-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341815;MM341815;CC=C(CO)CNC(C)C;MHRXTYQNTDFHMY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341816;MM341816;C#CC(N)CC1(C=C)CO1;OPOISMNLYJJXIV-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341817;MM341817;CC=C(CF)CNC(C)C;VWTNBMKJDYKJOI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341818;MM341818;C#CC(O)CC1(C=C)CO1;DZBSRIPHIRPGKV-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341819;MM341819;CC(C)NCC(=CF)CF;CYYOYSNYKJVFDK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341820;MM341820;C#CC(O)CC1(C=O)CO1;RMUGHZOQGZVXDO-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341821;MM341821;CC=C(CNC(C)C)OC;LHPLIWCYZQWFDK-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341822;MM341822;C#CC(O)CC1(C#N)CO1;OQDYYPKTJACJMH-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341823;MM341823;COC(=CF)CNC(C)C;GJOXKHONLWZHRA-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341824;MM341824;C#CC(F)CC1(C=C)CO1;JDDWLGLFPHHKCS-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341825;MM341825;CC=C(CC)COC(C)C;VJRDBEXTJJUQSN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341826;MM341826;C#CC(F)CC1(C#N)CO1;XBNHGZUMGHGBCA-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341827;MM341827;CCC(=CF)COC(C)C;MPJFKEHDRVZYHX-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341828;MM341828;C#CC1(CC(C)CC)CC1;IIWNFIJNUIQOBQ-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341829;MM341829;CC=C(CN)COC(C)C;PXSVXSHETLOQCQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341830;MM341830;C#CC1(CC(C)CN)CC1;QMXHQSDEOOGHFC-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341831;MM341831;CC=C(CO)COC(C)C;IXRGQQAVMJUHQH-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341832;MM341832;CC(C=O)CC1(C#N)CN1;GNTZXWOHJABRMG-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341833;MM341833;CC(C)OCC(=CF)CO;DDSJMATYFOLZMF-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341834;MM341834;C#CC1(CC(C)CF)CC1;CLXJBPWJZVSUCU-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341835;MM341835;CCC(COC(C)C)=NN;PZRBKYAYCNUHHQ-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341836;MM341836;C#CC1(CC(N)CC)CC1;DHNWOMMDARSURM-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341837;MM341837;C=C(C)C1CC(CCO)C1;LBNIPDRLLBOIDZ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341838;MM341838;C#CC1(CC(N)CN)CC1;UPBGZIYMXFUYPY-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341839;MM341839;N=c1cnc(=O)[nH]n1C=O;IUTRZFYQCRBOBD-UHFFFAOYSA-N;140.1;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341840;MM341840;C=NOCC(=O)CCCC;KPJBUWVJFHJMGW-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341841;MM341841;CN=C(COC(C)C)NC;ZWYRUJCTHPTANH-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341842;MM341842;C#CC1(CC(O)CO)CC1;KUTVQGDVDNYAMW-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341843;MM341843;C#CCC1=CC(O)C(=C)C1;YJISWPDMTGSPQO-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341844;MM341844;C#CC1(CC(O)CF)CC1;BETGUHCHAJTIGT-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341845;MM341845;CC(C)OCC(=NO)NO;AFMAJVDZBRYXPZ-UHFFFAOYSA-N;148.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341846;MM341846;C#CC1(CC(F)CC)CC1;DWNYYTLVUJNPQH-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341847;MM341847;COC(=CF)COC(C)C;BOIHQCBJNGGYRX-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341848;MM341848;C#CC1(CC(F)CN)CC1;MCYCMTZNKGYQCA-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341849;MM341849;CCCC1CC(CCO)C1;ZYKUQEOZEQLVIN-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341850;MM341850;C#CC1(CC(F)CO)CC1;VDIBGLNBIRJYPM-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341851;MM341851;CN=C(CN)NCC(C)C;RECZNYCKLQMHIV-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341852;MM341852;C#CC1(CC(C)NC)CC1;YVZQRKWWMIBZCY-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341853;MM341853;CC(N)CN=C(CO)NO;JGVPRCDXOGUFIX-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341854;MM341854;C#CC1(CC(C)OC)CC1;CPXIUMSXAIUCTF-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341855;MM341855;CCC(=NCC(C)O)NC;WWHIDFQMSGRYCN-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341856;MM341856;C#CC1(NC(C)CC)CC1;UMUNKHFVKLSUDM-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341857;MM341857;CN=C(CN)NCC(C)F;ONOVHKAUDWJRPR-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341858;MM341858;C#CC1(NC(C)CN)CC1;NEPFHNDYGJXRCO-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341859;MM341859;CC(F)CN=C(CF)NN;LCMPSBNWQCAIEZ-UHFFFAOYSA-N;151.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341860;MM341860;OCCC1CC(CCO)C1;WUKSXHQRYABKFE-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341861;MM341861;C#CC1(NC(C)CO)CC1;JIQCLAXXEAZHKI-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341862;MM341862;CCC(=NCC(F)F)NC;NSEBMTGLSUYTIU-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341863;MM341863;C#CC1(OC(C)CC)CC1;LWVUOTMRSNBUJD-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341864;MM341864;CN=C(NC)NCC(C)N;IGKIMVHEYLVGRG-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341865;MM341865;C#CC1(OC(C)CN)CC1;MYSZUYFNHLRPKH-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341866;MM341866;CNC(=NO)NCC(C)N;YAJDOMCMOBRTOM-UHFFFAOYSA-N;146.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341867;MM341867;C#CC1(OC(C)CO)CC1;XXFXJCGRMRJLNU-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341868;MM341868;CN=C(NO)NCC(C)N;YAJDOMCMOBRTOM-UHFFFAOYSA-N;146.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341869;MM341869;C#CC1(OC(C)CF)CC1;IJUJXPFVHXAHET-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341870;MM341870;CNC(=NN)NCC(C)O;MPYMZISJGWWGJR-UHFFFAOYSA-N;146.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341871;MM341871;C#CC1(OC(C)OC)CC1;BJCRECSIHUXVIC-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341872;MM341872;CC(O)CNC(=NN)NN;CDUWAMBPQPZGSU-UHFFFAOYSA-N;147.18;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341873;MM341873;C#CC1(CN(C)CC)CC1;YTOWTTCEBDBBTP-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341874;MM341874;C=CCC1CC(CCO)C1;QACXUCSBSNVKTG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341875;MM341875;C#CC1(CC(C)CC)CN1;WQJQXIIUHSSOEJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341876;MM341876;N#CCC1CC(CCO)C1;VSAXWCVMYCVKCZ-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341877;MM341877;C#CC1(CC(C)CN)CN1;DXFMRTFURFQRKO-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341878;MM341878;CN=C(NC)NCC(F)F;OPVFFAZFQKHRAY-UHFFFAOYSA-N;151.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341879;MM341879;CC(C#N)=C(N)OCC=O;FONZRJXNJVUKFE-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341880;MM341880;NN=C(NN)NCC(F)F;HHXZIRQUIDFLJG-UHFFFAOYSA-N;153.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341881;MM341881;C#CC1(CC(N)CC)CN1;SUAVXVNCTKEVAW-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341882;MM341882;C=NNC1CC(CCO)C1;DNEDUBXWQWIEKD-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341883;MM341883;C#CC1(CC(N)CN)CN1;NGKKBQYKDUNYEF-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341884;MM341884;C=COC1CC(CCO)C1;BPHTZNCMRYHJQN-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341885;MM341885;C#CC1(CC(N)CO)CN1;DNEYTJKYQDFWBJ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341886;MM341886;COC(=NO)NCC(C)O;SGRINMLUJQEFHJ-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341887;MM341887;CON=COCC(=O)C#N;OVGGPHKXUWHOLU-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341888;MM341888;O=COC1CC(CCO)C1;OKBVZYQZTGZTFA-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341889;MM341889;C#CC1(CC(O)CN)CN1;TVXJGYUAQIUOPP-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341890;MM341890;COC(=NO)NCC(C)F;ZJINUWCYZAFURX-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341891;MM341891;CN(C=O)N=CCCC=O;GUVYIIGPOSCCJI-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341892;MM341892;CCC(=NNC(C)C)NC;INRDDXSSBUHUSK-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341893;MM341893;CNN=CC#CC(C)C=O;MVDZYJJRMKOJEH-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341894;MM341894;CN=C(CN)NNC(C)C;ISNJXNSICHLTCU-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341895;MM341895;C#CC1(CC(F)CC)CN1;JRDFMUJDLPSXEX-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341896;MM341896;CN=C(CO)NNC(C)C;NHVJDECTFQNRIZ-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341897;MM341897;C#CC1(CC(F)CN)CN1;NABOMHHSQDKCDS-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341898;MM341898;CC=CC1CC(CCO)C1;NEYBHDIKEKCMQE-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341899;MM341899;N#CCN1C=NC(C=O)C1;INWQDOQMHLUGPY-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341900;MM341900;NN=CC1CC(CCO)C1;COSITQFBUYLSCI-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341901;MM341901;C#CC1(CC(C)NC)CN1;WGSOGIBNBSGUIX-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341902;MM341902;CN=C(CN)NOC(C)C;LBKXWBVQIOWEQY-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341903;MM341903;C#CC1(CC(C)OC)CN1;PGKFJTRHLZEENO-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341904;MM341904;CC=C(CC)OCC(C)C;QAHKJSJYPARNTE-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341905;MM341905;C#CC1(CC(C)CC)CO1;KRJXXBNUEALDBK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341906;MM341906;CCC(=CF)OCC(C)C;IWUZFFDYZLTSEI-UHFFFAOYSA-N;146.21;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341907;MM341907;C#CC1(CC(C)CN)CO1;QGSLWLBUZMGGQL-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341908;MM341908;CC=C(CN)OCC(C)C;QYQVDPSVGSFDKR-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341909;MM341909;C#CC1(CC(C)CO)CO1;ZLBYXNBFCHFFJK-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341910;MM341910;CC=C(CO)OCC(C)C;HYMJCBBBNFLFAS-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341911;MM341911;C#CC1(CC(C)CF)CO1;AMZSWVPGAZHPJS-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341912;MM341912;CC(C)COC(=CF)CO;IOJBBKZOFZSGJQ-UHFFFAOYSA-N;148.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341913;MM341913;C#CC1(CC(N)CC)CO1;UQEIFQIGXMUOBE-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341914;MM341914;CC=C(CC)OCC(C)N;WFMRVWVUUNZVDM-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341915;MM341915;C#CC1(CC(N)CN)CO1;CDSPCCQLXVZRIK-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341916;MM341916;CCC(=CF)OCC(C)N;YALGONNMFUTERX-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341917;MM341917;C#CC1(CC(N)CO)CO1;GVFCKCMAFNOBJS-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341918;MM341918;CCC(=CF)OCC(C)O;AAUWGOBEXPLZRG-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341919;MM341919;C#CC1(CC(N)CF)CO1;IBXNJOJVDMWTNH-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341920;MM341920;CC=C(CN)OCC(C)O;PKZPJVQHLVSGPU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341921;MM341921;C#CC1(CC(O)CC)CO1;IMSYHBZEHRFUTO-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341922;MM341922;CC=C(CC)OCC(C)F;DHMNOOVWMUPPHO-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341923;MM341923;C#CC1(CC(O)CN)CO1;HRJAXNMVLBPPPX-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341924;MM341924;CCC(=CF)OCC(C)F;JRZBCXPPPDWPTK-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341925;MM341925;C#CC1(CC(O)CO)CO1;NSTOKONVNPJKFE-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341926;MM341926;CC(F)COC(=CF)CN;ADZRXEMUMNLKAE-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341927;MM341927;C#CC1(CC(O)CF)CO1;SMXTZQUYRBMUDI-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341928;MM341928;CC=C(CC)CCC(N)=O;XSPCCXFSUAPCBY-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341929;MM341929;C#CC1(CC(F)CC)CO1;ZNRSGYKLYPLHSS-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341930;MM341930;CNC(C#N)C#CC(F)F;VSOQEZWZGDKWEI-UHFFFAOYSA-N;144.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341931;MM341931;C#CC1(CC(F)CO)CO1;IGNCKJLEKVTWSA-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341932;MM341932;C#CC(=C)C(C)(O)C(=O)O;PSTAQRIEZHBSKG-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341933;MM341933;C#CC1(CC(C)NC)CO1;ADPLCKDDIUZBDF-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341934;MM341934;CC(=O)C1NC1(C=O)C=O;UZVDBJACCGBMJF-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341935;MM341935;C#CC1(CC(C)OC)CO1;YSXKJZCRMOSAHE-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341936;MM341936;CCC(=NO)OCC(C)F;IMSHCMDCFZVZSF-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341937;MM341937;C=CCON=CC(C)C=O;XFPKEHPTKFQBCV-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341938;MM341938;C#CC1(CN(C)CC)CO1;AJVOFVONOYFVOR-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341939;MM341939;C#CC(CCO)C(=C)CC;XDRBDBWTPDXNFI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341940;MM341940;C#CC1(CC(C)C=C)CC1;XJAFDIHOXXEPJT-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341941;MM341941;O=C(O)CNC(=O)CO;KQBFNLRVOIBBDR-UHFFFAOYSA-N;133.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341942;MM341942;C#CC1(CC(C)C=O)CC1;HKVFYNCRHLMZOQ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341943;MM341943;N#CCCN(C=O)CC=O;XPKVEIOBNAPXJY-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341944;MM341944;C#CC1(CC(C)C#N)CC1;NXDOQRKIFDOHLQ-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341945;MM341945;CC1C(CC(=O)C#N)N1C;BUYAZAIVFLLTSS-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341946;MM341946;C#CC1(CC(N)C=C)CC1;NPOVVQQOCOSVTE-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341947;MM341947;CONC(=O)C(C)(O)CO;XCRSSOFAYDURTN-UHFFFAOYSA-N;149.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341948;MM341948;C#CCN1C=NC(C=O)C1;GNDCTCYXOGTSJE-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341949;MM341949;C=C1C=C(CC)C=C1CO;CWNGREVXTCRQQU-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341950;MM341950;C#CC1(CC(O)C#N)CC1;ASEGKXFMJGQYCK-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341951;MM341951;CNC(=NO)OCC(C)N;YABGAFGFLQRATK-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341952;MM341952;C#CC1(CC(F)C=C)CC1;BXRULQDSZYSYSD-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341953;MM341953;CN=C(NO)OCC(C)N;YABGAFGFLQRATK-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341954;MM341954;C#CC1(CC(F)C=O)CC1;WMIKTQNXOSBPJN-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341955;MM341955;CC(N)COC(=NO)NO;LXCDIBLPVVJVDK-UHFFFAOYSA-N;149.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341956;MM341956;C#CC1(CC(F)C#N)CC1;GAQFMKSPLONVFV-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341957;MM341957;CN=C(NC)OCC(C)O;CUEXMNHTNFWQTN-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341958;MM341958;C#CC1(NC(C)C=C)CC1;DXFTYLYXOIWGCM-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341959;MM341959;CNC(=NO)OCC(C)O;AOJKYVCLFKZFGB-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341960;MM341960;C#CC1(NC(C)C#N)CC1;XAZIAPMLPTWESK-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341961;MM341961;C=C1CC(C)CC=C1CO;KNMQJMCDIFLPGC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341962;MM341962;C#CC1(OC(C)C=C)CC1;FOFLWTWKOZBLNX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341963;MM341963;C=CC12CC(C=O)CN1C2;FYSPZCRJAYGMSL-UHFFFAOYSA-N;137.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341964;MM341964;C#CC1(OC(C)C=O)CC1;AHSFKWZUFSKLLB-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341965;MM341965;C=C1C(CC)=CC=C1CO;UZWMHSFTADUGRO-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341966;MM341966;C#CC1(OC(C)C#N)CC1;CRKZESQEFBHAGP-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341967;MM341967;C=C1C(CO)=CC=C1CF;ZDHYSCDOIOEBLG-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341968;MM341968;C#CC1(CN(C)C=N)CC1;KZHWBCSZLIAKSF-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341969;MM341969;CC(O)COC(=NO)NO;LRJSJBOFYQDYOC-UHFFFAOYSA-N;150.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341970;MM341970;C#CC1(CN(C)C=O)CC1;BRWXSCPZIDKCCD-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341971;MM341971;CN=C(NC)OCC(C)F;WGSAYPJYORCAJP-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341972;MM341972;C#CC1(CN(N)C=N)CC1;DNZYQZJBBWORND-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341973;MM341973;CNC(=NO)OCC(C)F;NMHQFOGZMYNYNO-UHFFFAOYSA-N;150.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341974;MM341974;C#CC1(CN(N)C=O)CC1;ILPJUXLHWBGGHS-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341975;MM341975;C=Cc1noc(C=O)c1N;BKCZMTOOCFHSME-UHFFFAOYSA-N;138.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341976;MM341976;C#CC1(CN(C)N=C)CC1;XRHZXKLUQYRKAI-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341977;MM341977;CN=C(NC)OCC(F)F;DMCBGMHZLNLDIU-UHFFFAOYSA-N;152.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341978;MM341978;C#CC1(NN(C)C=N)CC1;HLPDFSAQCHXLNI-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341979;MM341979;CNC(=NO)OCC(F)F;LOYOIHASPCOQOT-UHFFFAOYSA-N;154.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341980;MM341980;C#CC1(NN(C)C=O)CC1;BCTRMPYNVVBNSH-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341981;MM341981;COC(=NO)OCC(C)C;OVYQIQZANCYEIL-UHFFFAOYSA-N;147.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341982;MM341982;C#CC1(ON(C)C=N)CC1;VUOOOYPYJZEJDN-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341983;MM341983;COC(=NO)OCC(C)N;KRTXHPXRCNJKHE-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341984;MM341984;C#CC1(ON(C)C=O)CC1;HBEQQTUOBCOYAI-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341985;MM341985;COC(=NO)OCC(C)F;GROFZHRRQGHAGW-UHFFFAOYSA-N;151.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341986;MM341986;C#CC1(CC(C)C=C)CN1;XSQKQUTYPYMPGR-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341987;MM341987;C#CC(C=O)C1CN1CC;UFGNNBMWIXNSKE-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341988;MM341988;CN1CC1(C)C1OC1C=O;JCRQPYDUNXISEZ-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341989;MM341989;COC(=NO)OCC(F)F;NLBPGSDRZMUNNL-UHFFFAOYSA-N;155.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341990;MM341990;C#CC1(CC(C)C#N)CN1;YIJDUJIVSROZSO-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341991;MM341991;CC=C(CC)CCN(C)C;YIZCXQMBIZCJOS-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341992;MM341992;C#CC1(CC(N)C=C)CN1;UXRNOEDQPGXZJH-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341993;MM341993;CCC(=CF)CCN(C)C;APFCDAWDJDLMKK-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341994;MM341994;C#CC1(C)CC1C1CC1O;NKROQKNLYSHORX-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341995;MM341995;CC=C(CN)CCN(C)C;CKDHDQZWPMUPSU-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341996;MM341996;C=Cc1[nH]nc(OC)c1N;FEYYNIJDXXWKJU-UHFFFAOYSA-N;139.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341997;MM341997;CC=C(CO)CCN(C)C;GPOATPYRBXCCGV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341998;MM341998;C#CC(CO)C1CC1CC;IADFMLKBDSSHIS-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM341999;MM341999;CC=C(CF)CCN(C)C;KRDGCXCXBHVHJE-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342000;MM342000;C#CC1(CC(F)C=C)CN1;ULYGRQQBAAIUGS-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342001;MM342001;CN(C)CCC(CO)=NN;MLNUKVHNKKZGAB-UHFFFAOYSA-N;145.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342002;MM342002;C#CC(CO)C1C(C)C1C;KCYPBBQMLHLWCC-UHFFFAOYSA-N;138.21;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342003;MM342003;CC=C(CCN(C)C)OC;WFHQAPVKDZBYBD-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342004;MM342004;C#CC1(CC(F)C#N)CN1;ZZZZNBYCQPVUIZ-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342005;MM342005;COC(=CF)CCN(C)C;QVSMFJDVNVTOFX-UHFFFAOYSA-N;147.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342006;MM342006;C#CC1(CN(C)C=N)CN1;BNQGCGVIMZGVHF-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342007;MM342007;C=CC(=CC)CCC(C)C;ZMZFHQAIRWJQOE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342008;MM342008;C#CC1(CN(C)C=O)CN1;JLOQNNRIBKZBGB-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342009;MM342009;C=CC(=CF)CCC(C)C;USLCSWGIEJRGIY-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342010;MM342010;C#CC1(CN(N)C=N)CN1;JXIBGLCNCBQUBC-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342011;MM342011;CC=C(C=O)CCC(C)C;NHACIFIKDDQESH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342012;MM342012;C#CC1(CN(N)C=O)CN1;WGISGOUHPPWUGD-UHFFFAOYSA-N;139.16;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342013;MM342013;CC=C(C#N)CCC(C)C;FBUJWLWYDWLVNT-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342014;MM342014;C#CC1(CN(C)N=C)CN1;QGCVHSDOIQZOQQ-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342015;MM342015;CC(C)CCC(C=O)=CN;YIIIUUJLLOETDL-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342016;MM342016;C#CC1(CC(C)C=C)CO1;VKIUPVCTKNTZGQ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342017;MM342017;CC(C)CCC(C#N)=CN;YCWXVNFAANMMPS-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342018;MM342018;C#CC1(CC(C)C=O)CO1;MOKJVCMEOOUXAK-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342019;MM342019;CC(C)CCC(C=O)=CF;BWIRYVDSTYTIMA-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342020;MM342020;C#CC1(CC(C)C#N)CO1;FBSSZEJNKALHLS-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342021;MM342021;CC(C)CCC(C#N)=CF;RPACBQFIPGAQSW-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342022;MM342022;C#CC1(CC(N)C=C)CO1;KWOPBPWXVCLVIZ-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342023;MM342023;C=CC(=CC)CCC(C)N;UNCAMFITQILURZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342024;MM342024;C#CC1(CC(O)C=C)CO1;JYZAZZBDTJBVMQ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342025;MM342025;C=CC(=CF)CCC(C)N;ZRVKRGDNDQEPDN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342026;MM342026;CC=NN1CC1C(C)C=O;DHZUXYPUXGLUJB-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342027;MM342027;C#CC1(CC(O)C=O)CO1;MSKGAOLRMILEHN-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342028;MM342028;CCON=CNN=COC;BSGAIVVXXFBHQA-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342029;MM342029;C#CC1(CC(O)C#N)CO1;WFLZQGQPHOJJJA-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342030;MM342030;CCNN=CC#CCC=O;AODAVHGTMUWASX-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342031;MM342031;C#CC1(CC(F)C=C)CO1;CPSMRNKHPZURHB-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342032;MM342032;C#CC1C(C=O)C1CCO;GIDFGSJMCPXPPN-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342033;MM342033;C#CC1(CC(F)C=O)CO1;GMSONJZHSAVDCP-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342034;MM342034;C=CC(=CC)CCC(C)F;RXOYKGQIAOVJEP-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342035;MM342035;C#CC1(CC(F)C#N)CO1;DJGCQRZLEVRFCZ-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342036;MM342036;C=CC(=CF)CCC(C)F;OHRNDRFBKJCJTR-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342037;MM342037;C#CC1(CN(C)C=N)CO1;VITGECUAIHNQJV-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342038;MM342038;CC=C(C=O)CCC(C)F;SDANNUMYZDRKKG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342039;MM342039;C#CC1(CN(C)C=O)CO1;OESHIILSCNROSE-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342040;MM342040;CC=C(C#N)CCC(C)F;VFRNRMICXGKJHT-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342041;MM342041;C#CC1(CN(N)C=N)CO1;TYNWLRCYNQVJGP-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342042;MM342042;CC(F)CCC(C=O)=CN;CQRGXOUHHOQRJC-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342043;MM342043;C#CC1(CN(N)C=O)CO1;MXHPIIFBHVYIAN-UHFFFAOYSA-N;140.14;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342044;MM342044;CC(F)CCC(C#N)=CN;UJDQCBXKPQNLPG-UHFFFAOYSA-N;142.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342045;MM342045;C#CC1(CN(C)N=C)CO1;VADSSAMQBVBBQA-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342046;MM342046;CC(F)CCC(C=O)=CF;LIEAVSXLMPABII-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342047;MM342047;C#CC(C)CC1(C#C)CC1;MHEGITBNSPBPAS-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342048;MM342048;CC(F)CCC(C#N)=CF;WAIGBZPOMHFSND-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342049;MM342049;C#CC(N)CC1(C#C)CC1;FQLAWKUVPKEVJD-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342050;MM342050;C=CC(=CC)CCC(F)F;VZRCJLDJKGNOPK-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342051;MM342051;C#CC(O)CC1(C#C)CC1;FEPMWCLZXFVNGY-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342052;MM342052;C=CC(=CF)CCC(F)F;JLVGLCRCESENLZ-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342053;MM342053;C#CC(F)CC1(C#C)CC1;AEIUQASGNAMHEX-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342054;MM342054;CC=C(C=O)CCC(F)F;RZQPCLJUVVYQFT-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342055;MM342055;C#CC(C)OC1(C#C)CC1;VRHBZWDOWJQTGL-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342056;MM342056;CC=C(C#N)CCC(F)F;GAYGNNXICSKWTQ-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342057;MM342057;N#CC(=CN)CCC(F)F;IZJGPYUZDVZZFX-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342058;MM342058;C#CC(C)CC1(C#C)CN1;UEPBQJWLVGBDJW-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342059;MM342059;O=CC(=CF)CCC(F)F;JCPJSGNPMLQOBT-UHFFFAOYSA-N;152.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342060;MM342060;C#CC(N)CC1(C#C)CN1;VLCDBKBGIHRYTD-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342061;MM342061;N#CC(=CF)CCC(F)F;JIXBWMZRRLFXOI-UHFFFAOYSA-N;149.12;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342062;MM342062;C#CC1C(O)C1CCCC;ZJVMFUCGHNWBIR-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342063;MM342063;C=CC(CCC(C)C)=NN;AZQIPXJBUBUVQN-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342064;MM342064;C#CC(F)CC1(C#C)CN1;TXHGDGMIKZSZRJ-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342065;MM342065;CCCC1CC1O;OQZFTWXEQGUSRD-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342066;MM342066;C#CC(C)CC1(C#C)CO1;PVADBHVYWLQWAL-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342067;MM342067;C=CC(CCC(C)N)=NO;WVWYBFABYFNUKA-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342068;MM342068;C#CC(N)CC1(C#C)CO1;NCWJXOFQBYWBRT-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342069;MM342069;CC(C)(C)CC(N)=O;LINZZISWCNKFEM-UHFFFAOYSA-N;115.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342070;MM342070;C#CC(O)CC1(C#C)CO1;HNBOMYPDTPNKOC-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342071;MM342071;CCCCC1CC1O;PFKHHAURVIJHMH-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342072;MM342072;C#CC(F)CC1(C#C)CO1;LIDUGJOSOZXOSW-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342073;MM342073;C=CC(CCC(C)F)=NN;BYXFLRZCZVMDJG-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342074;MM342074;C=C(CC)CC1(CC)CC1;YUEXSUAMCMVUBQ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342075;MM342075;C=CC(CCC(C)F)=NO;DFCGEEWMZTUYPV-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342076;MM342076;C=C(CN)CC1(CC)CC1;ZYDPSTSCNGWVBQ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342077;MM342077;C=CC(CCC(F)F)=NO;HNXYDEGGVQGFSU-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342078;MM342078;C=C(CO)CC1(CC)CC1;IEKTZHRWVOIQAK-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342079;MM342079;C=CC1=CC(=CO)N=N1;QQZJQJHUJIWCLK-UHFFFAOYSA-N;122.13;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342080;MM342080;C=C(CF)CC1(CC)CC1;QQICCKSFHXLEIH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342081;MM342081;C=CC(=CC)CNC(C)C;IDLLOEQCKUWSOY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342082;MM342082;C=C(CC)CC1(CN)CC1;AJVXNNWFZGALSX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342083;MM342083;CC=C(C=O)CNC(C)C;TWFSZGNKPAWAEC-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342084;MM342084;C=C(CN)CC1(CN)CC1;CRZJPGODSULHOJ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342085;MM342085;CC(C)NCC(C=O)=CN;HAOXHNPGHSJUAK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342086;MM342086;C=C(CO)CC1(CN)CC1;JUDLCDSPUQEVNF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342087;MM342087;CC(C)NCC(C=O)=CF;ISLULROLSCPUKD-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342088;MM342088;CC=C(CO)C(C)C1CC1;CHTITBSONZVZJI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342089;MM342089;C=CC(=CC)COC(C)C;NHMPKFDFCGUIBE-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342090;MM342090;C=C(CN)CC1(CO)CC1;HAFWTXYZYSQULT-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342091;MM342091;CC=C(C#N)COC(C)C;IMPJYEMRMOSJEY-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342092;MM342092;CCC(CO)=C(C)C1CC1;BIHCMBLXMWHMGL-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342093;MM342093;CC(C)OCC(C=O)=CF;FDTDKIYAELGSEQ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342094;MM342094;CC(C)OCC(C#N)=CF;VQTOWCCPZJBYJY-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342095;MM342095;C=C(CC)CC1(CF)CC1;YBEPOYUERCYZSC-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342096;MM342096;C=CC(COC(C)C)=NN;FZAIKXLPALLSIW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342097;MM342097;C=C(CN)CC1(CF)CC1;IPICCGNKJVISDR-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342098;MM342098;C=CC(=NC)NCC(C)C;AHKQTSQCNANWLC-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342099;MM342099;C=C(CO)CC1(CF)CC1;VMZAFCUIDUJQFS-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342100;MM342100;C=CC(=NCC(C)C)NN;NXAKGFDRACKJQT-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342101;MM342101;C=C(CF)CC1(CF)CC1;IZNZWRWQIKQXLG-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342102;MM342102;C=CC(=NCC(C)C)NO;DYBFSCXUDNMCRK-UHFFFAOYSA-N;142.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342103;MM342103;CCC(=O)CC1(CC)CC1;KCUOXFVSLHFNOG-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342104;MM342104;CN=C(C#N)NCC(C)C;IFGPKIOPYHEZEP-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342105;MM342105;CCC1(CC(=O)CO)CC1;FIJBIDAONOEIOP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342106;MM342106;OC1CC1CCCF;WIDNKGJELBNXBS-UHFFFAOYSA-N;118.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342107;MM342107;CCC1(CC(=O)CF)CC1;MMJSMVZUWUOBLV-UHFFFAOYSA-N;144.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342108;MM342108;C=CC(=NC)NCC(C)O;RKIQVLQTBZJQDO-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342109;MM342109;CCC(=O)CC1(CO)CC1;YGJJXBQBFVHACI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342110;MM342110;C=CC1CC1CCO;YFWYPIHFFWCCLG-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342111;MM342111;O=C(CF)CC1(CF)CC1;IYEXVBUBZHWOHC-UHFFFAOYSA-N;148.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342112;MM342112;O=CC1CC1CCO;AMWLGSTVBPNFJE-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342113;MM342113;CCC1(CC(=N)NC)CC1;IRDFJNAUEKHZEW-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342114;MM342114;C=CC(=NC)NCC(C)F;AXPOAANJZCGNMN-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342115;MM342115;CCC1(CC(=N)NN)CC1;OVZIYMLQAYBYTD-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342116;MM342116;C=CC(=NCC(C)F)NN;AWTVNFRPTQQANB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342117;MM342117;CCC1(CC(=N)NO)CC1;MEQFVAVIMCUJEA-UHFFFAOYSA-N;142.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342118;MM342118;CN=C(C#N)NCC(C)F;BCRCIABLJUPQCU-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342119;MM342119;CNC(=N)CC1(CN)CC1;KWGZPYKMTJZJLC-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342120;MM342120;C=CC(=NC)NCC(F)F;JZYYYNFLZZNPLN-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342121;MM342121;CNC(=N)CC1(CO)CC1;OXYLPSHOZZUUQI-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342122;MM342122;C=NNC1CC1C=O;WINXEKMBYOJOAR-UHFFFAOYSA-N;112.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342123;MM342123;N=C(CC1(CO)CC1)NN;JKYTVTHYYLDELV-UHFFFAOYSA-N;143.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342124;MM342124;C=CC(=CC)OCC(C)C;QAFPOFHZIOCNDS-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342125;MM342125;N=C(CC1(CO)CC1)NO;FMTRJZLHHWJOBN-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342126;MM342126;CC=C(C=O)OCC(C)C;GETSUBCBCRLZGR-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342127;MM342127;CNC(=N)CC1(CF)CC1;MTZISKHMNUSNAQ-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342128;MM342128;CC=C(C#N)OCC(C)C;TTZIKOZQGJBWKQ-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342129;MM342129;CN=C1NN=C(NN)CO1;OHTIWUOFBAKPHK-UHFFFAOYSA-N;143.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342130;MM342130;CC(C)COC(C=O)=CN;IWTLDWNZTDINSA-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342131;MM342131;C=CC1=NNC(=NC)ON1;DNJWMBYAQRNSRH-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342132;MM342132;CC(C)COC(C#N)=CN;IFFAIKFNCUAPHA-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342133;MM342133;CCC1(CC(=O)NO)CC1;KBNFTXBJPLKMGV-UHFFFAOYSA-N;143.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342134;MM342134;CC(C)COC(C#N)=CF;URDPNTSPYQDTFH-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342135;MM342135;CNC(=O)CC1(CN)CC1;KQXKPVUXCLUJIM-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342136;MM342136;C=CC(=CC)OCC(C)N;KJZHFZWQFHRISZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342137;MM342137;NCC1(CC(=O)NO)CC1;GCLAXDAXHBUVEG-UHFFFAOYSA-N;144.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342138;MM342138;C=CC(=CF)OCC(C)N;LSPWALKGYBODBO-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342139;MM342139;CNC(=O)CC1(CO)CC1;UEUPXORKMMYVRR-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342140;MM342140;C=CC(=CC)OCC(C)O;YUGDNGJLTGBRFC-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342141;MM342141;O=C(CC1(CO)CC1)NO;GOWXELHICIAJOK-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342142;MM342142;C=CC(=CF)OCC(C)O;OSHMFXXNFMUONR-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342143;MM342143;C=C(CC1(CC)CC1)OC;YFUKVCUIGFRBMC-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342144;MM342144;CC=C(C=O)OCC(C)O;AIWJDVNMTSZATH-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342145;MM342145;C=C(CC1(CN)CC1)OC;OHFXBESNAGPQKD-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342146;MM342146;CC=C(C#N)OCC(C)O;ZXDXNMNJNPUDPN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342147;MM342147;C=C(CC1(CO)CC1)OC;CINCRIYIGHENHD-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342148;MM342148;CC(O)COC(C=O)=CN;MSYWUIFIMKWOTG-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342149;MM342149;CCC1(CC(=O)OC)CC1;LCFJIXFIDSJTGX-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342150;MM342150;CC(C)CC(C)C(N)=O;POLRBXCXVRASTG-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342151;MM342151;COC(=O)CC1(CO)CC1;RCEKMFFZANHPNW-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342152;MM342152;CC(O)COC(C=O)=CF;OJSLMTHANIQUEN-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342153;MM342153;COC(=O)CC1(CF)CC1;BDXLSCRUEXQKNF-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342154;MM342154;C=CC(=CC)OCC(C)F;SAAYZIMGSRESBC-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342155;MM342155;C=C(CC)CC1(NC)CC1;QHQBSWWQHURWQM-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342156;MM342156;CC=C(C=O)OCC(C)F;YRHFGRAHJBXAAN-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342157;MM342157;C=C(CN)CC1(NC)CC1;XKCBROXCMVOXKX-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342158;MM342158;CC=C(C#N)OCC(C)F;IJPGHCSQPUFJJY-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342159;MM342159;C=C(CO)CC1(NC)CC1;RIQFZWSHQZEEMV-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342160;MM342160;CC(F)COC(C#N)=CN;LEPLAAYSNGQPHV-UHFFFAOYSA-N;144.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342161;MM342161;C=C(CF)CC1(NC)CC1;LZOMNDXDXAOKCE-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342162;MM342162;C=CC(=CC)OCC(F)F;FFFIKONDRZXVMF-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342163;MM342163;CCC(=O)CC1(NC)CC1;MFXVINITUAJTPP-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342164;MM342164;CC=C(C#N)OCC(F)F;QPFOHBPGNRFWSQ-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342165;MM342165;CNC1(CC(=O)CO)CC1;BQAIHCPQTJTIDC-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342166;MM342166;N#CC(=CN)OCC(F)F;JDXLDYNTCKVXAX-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342167;MM342167;CNC1(CC(=O)CF)CC1;FJYSWJGOAPBXNI-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342168;MM342168;N#CC(=CF)OCC(F)F;YQVIZLIVYXWNKG-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342169;MM342169;CNC(=N)CC1(NC)CC1;DCTVVSJAWGHFMK-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342170;MM342170;C=CC(=NO)OCC(C)N;HHDWNSSIRDSJPJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342171;MM342171;CNC1(CC(=N)NN)CC1;YBCKSVULDQEEDQ-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342172;MM342172;C=CC(=NO)OCC(C)O;ADAVJXDJSISZSV-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342173;MM342173;CNC(=O)CC1(NC)CC1;RYIYTIDMIQRJPU-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342174;MM342174;C=CC(C)=CC(O)C=C;HFNVFQWMHIJTAW-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342175;MM342175;CNC1(CC(=O)NN)CC1;PYLUHMDDJKPEDL-UHFFFAOYSA-N;143.19;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342176;MM342176;C=CC(=NO)OCC(C)F;VLIFCANTGRRPTO-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342177;MM342177;CNC1(CC(=O)NO)CC1;KAZSSSMWDUKQKD-UHFFFAOYSA-N;144.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342178;MM342178;C=CC=CC(O)C=CC;SDAQPMGUXMFXMI-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342179;MM342179;C=C(CC1(NC)CC1)OC;XISHIQZSMVQIHQ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342180;MM342180;C=CC(=NO)OCC(F)F;KMYVRKQCKOYEAH-UHFFFAOYSA-N;151.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342181;MM342181;CNC1(CC(=O)OC)CC1;HVOOKJCMCQKIJL-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342182;MM342182;Cc1noc(F)c1O;WUQMQLLWECJPEF-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342183;MM342183;C=C(CC)CC1(OC)CC1;ZYUJCVVIDHWWFJ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342184;MM342184;C=CC(=CC)CCN(C)C;KGTLFJRJEIMUHG-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342185;MM342185;C=C(CN)CC1(OC)CC1;GFABCXDJPJSEAD-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342186;MM342186;C=CC(=CF)CCN(C)C;PYVXDOKEJPQRTF-UHFFFAOYSA-N;143.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342187;MM342187;C=C(CO)CC1(OC)CC1;KZQPGWBLZDEPIM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342188;MM342188;CC=C(C#N)CCN(C)C;RTANAOKBLXREAQ-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342189;MM342189;CCC(=O)CC1(OC)CC1;VGLAWDMLZYAULZ-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342190;MM342190;C#CC(=CC)CCC(C)C;YFUPUOFUJYXUKY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342191;MM342191;COC1(CC(=O)CO)CC1;JFQWRROKPGZPBL-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342192;MM342192;C#CC(=CF)CCC(C)C;DEZKXKRNADBFMZ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342193;MM342193;COC1(CC(=O)CF)CC1;WPROWSHYBDEJER-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342194;MM342194;C#CC(=CC)CCC(C)N;KXHIIEOCQXWKSS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342195;MM342195;CNC(=N)CC1(OC)CC1;BJWGZCDQXPLPTQ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342196;MM342196;C#CC(=CF)CCC(C)N;ABEUANOWDFKTRV-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342197;MM342197;COC1(CC(=N)NO)CC1;GCQIYCXYUFJBIL-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342198;MM342198;CCCCC(C)C(N)=O;ZRLFRWNYFMYZEG-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342199;MM342199;CNC(=O)CC1(OC)CC1;NXVGVVIXXVVOSU-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342200;MM342200;C=CC(O)CC=CC#N;UFGGCGIAHFAOBP-UHFFFAOYSA-N;123.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342201;MM342201;C=CC(C)CCO;VTCQTYOGWYLVES-UHFFFAOYSA-N;100.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342202;MM342202;C#CC(=CC)CCC(C)F;BABGSKNRYFKKFC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342203;MM342203;COC1(CC(=O)NO)CC1;RYPIVCCCEAECBI-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342204;MM342204;C#CC(=CC)CCC(F)F;JGIJZOKCVHTTRM-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342205;MM342205;C=C(CC1(OC)CC1)OC;DUXUFSVSKQGYIA-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342206;MM342206;C#CC(=CF)CCC(F)F;INKCHHJYWZPKOW-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342207;MM342207;COC(=O)CC1(OC)CC1;TZEUJSUQUIZNDF-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342208;MM342208;C#CC(CCC(C)C)=NN;CFJUHQUANANCFM-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342209;MM342209;CCC(=N)NC1(CC)CC1;DFENHBJCHPDTAZ-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342210;MM342210;C#CC(CCC(C)C)=NO;LDZDENPKLXFHQI-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342211;MM342211;CCC1(NC(=N)CN)CC1;JGJLEAQIQQKPMD-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342212;MM342212;C#CC(=CC)CNC(C)C;ZRVBZHLEYWNSCE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342213;MM342213;CCC1(NC(=N)CO)CC1;YXHDFWQDGJSVHD-UHFFFAOYSA-N;142.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342214;MM342214;C#CC(=CF)CNC(C)C;RZHMWIVIWPWEJR-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342215;MM342215;CCC(=N)NC1(CN)CC1;DHJZHUKGLJIHEU-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342216;MM342216;C#CC(=CC)COC(C)C;BWQSKUMWCGJVPQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342217;MM342217;N=C(CN)NC1(CN)CC1;MFGUBPMDOAJDDL-UHFFFAOYSA-N;142.21;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342218;MM342218;C#CC(COC(C)C)=NN;OBRZOQPOGXELBT-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342219;MM342219;N=C(CO)NC1(CN)CC1;DHOMWQRRIJWCPB-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342220;MM342220;C#CC(=NC)NCC(C)C;KWMATIWBFPSHML-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342221;MM342221;CCC(=N)NC1(CO)CC1;WLBSJFZUMJKVEA-UHFFFAOYSA-N;142.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342222;MM342222;C=NOC(C)C(C)C=O;YCWBJMSUARNSNV-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342223;MM342223;N=C(CN)NC1(CO)CC1;BPTBCYJADQBRGD-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342224;MM342224;C=CN(N)C(=O)CCF;BAMNDTBYQNSEHW-UHFFFAOYSA-N;132.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342225;MM342225;N=C(CO)NC1(CO)CC1;FMJNZYSFEVXNEO-UHFFFAOYSA-N;144.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342226;MM342226;C#CC(=NO)NCC(F)F;YDGMOAGYGLKAMX-UHFFFAOYSA-N;148.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342227;MM342227;N=C(CN)NC1(CF)CC1;WKESEINKXCRRPH-UHFFFAOYSA-N;145.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342228;MM342228;C#CC(=CC)OCC(C)C;FWMXTJQINVWONW-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342229;MM342229;CC=CC(C)CCO;RJLCWOGYMNKNGB-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342230;MM342230;C#CC(=CF)OCC(C)C;NYWDHIQTYKNJMN-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342231;MM342231;CCC1(NC(=O)CO)CC1;DRLCQHJZDKVCRU-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342232;MM342232;C#CC(=CC)OCC(C)N;LGVUNCDUKHFSDA-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342233;MM342233;CCC1(NC(=O)CF)CC1;IISJEVUCUXNSNN-UHFFFAOYSA-N;145.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342234;MM342234;C#CC(=CF)OCC(C)N;CLAYMJAZMNAYHK-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342235;MM342235;CCC(=O)NC1(CN)CC1;UAHIMOUWNMEMRH-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342236;MM342236;C#CC(=CC)OCC(C)O;DTASSLHFJCNQDQ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342237;MM342237;NCC(=O)NC1(CN)CC1;WQQCFJQTHIPPPZ-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342238;MM342238;C#CC(=CF)OCC(C)O;FQZLWRXPRAGINM-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342239;MM342239;NCC1(NC(=O)CO)CC1;HEEJPIZVJNQBGX-UHFFFAOYSA-N;144.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342240;MM342240;C#CC(=CC)OCC(C)F;OPFSLOXZVSOSRS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342241;MM342241;CCC(=O)NC1(CO)CC1;RBXPJPUBUUBPGB-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342242;MM342242;C#CC(=CF)OCC(C)F;JPTFQQZJGHVSHS-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342243;MM342243;O=C(CO)NC1(CO)CC1;QCULPNDDMWXBNI-UHFFFAOYSA-N;145.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342244;MM342244;C#CC(=CC)OCC(F)F;XWEIGODZMVFWEO-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342245;MM342245;O=C(CF)NC1(CO)CC1;SUUTWYSCQSGHKQ-UHFFFAOYSA-N;147.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342246;MM342246;CCC1(NC(=N)NC)CC1;VQZDOGIFARQBEN-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342247;MM342247;C#CC(=CF)OCC(F)F;FNNHANZTNMIPJG-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342248;MM342248;CCC1(NC(=N)NO)CC1;APPBQGZUPZUXIU-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342249;MM342249;C=CC(C)=C(C)CCO;YYEVZOPRTCGOIM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342250;MM342250;CNC(=N)NC1(CN)CC1;NXDHWACWKZEUNM-UHFFFAOYSA-N;142.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342251;MM342251;C#CC(=NO)OCC(C)C;CUCFADGEBWTUNI-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342252;MM342252;CNC(=N)NC1(CO)CC1;PSAVVXVPUMQNGK-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342253;MM342253;C#CC(=NO)OCC(C)N;NURUVEWFNNFQHX-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342254;MM342254;N=C(NO)NC1(CO)CC1;HPVDBHAHDPKPHZ-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342255;MM342255;C=CC=C(CO)CC=C;ZSZMPZAQKIUKDS-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342256;MM342256;CNC(=N)NC1(CF)CC1;GHELNYLDCYYIKS-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342257;MM342257;C#CC(=NO)OCC(C)O;SYAFOPGQKIXMBQ-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342258;MM342258;N=C(NN)NC1(CF)CC1;PECKMFOYURJUSX-UHFFFAOYSA-N;146.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342259;MM342259;C=C1C=C(CCO)CC1;SYFXJMRMOQVLAG-UHFFFAOYSA-N;124.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342260;MM342260;N=C(NO)NC1(CF)CC1;LDWPTNRRUJEVGM-UHFFFAOYSA-N;147.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342261;MM342261;C#CC(=NO)OCC(C)F;MOHIECHFPYPPKK-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342262;MM342262;CCC1(NC(=O)NC)CC1;WKTBKYXSCJTKBA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342263;MM342263;C#CC(=CC)CCN(C)C;WYUKJAWHRZGXBU-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342264;MM342264;CC(C=CF)CCO;YCBAMXGUDYAJMH-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342265;MM342265;C#CC(=CF)CCN(C)C;HYUNPUHCLRWLCM-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342266;MM342266;CCC1(NC(=O)NO)CC1;LTKCXHLVPFSCBG-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342267;MM342267;C=C(C)CCC(=CC)CC;SCWCMZRZCRHMDQ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342268;MM342268;CNC(=O)NC1(CN)CC1;NUNQVGYXZOVWOP-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SNd";;;;;;;-1.11;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342269;MM342269;C=C(C)CCC(=CC)CN;CWMSIJLONXJZMB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342270;MM342270;NCC1(NC(=O)NO)CC1;WYYYMFOTZXSQSM-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342271;MM342271;C=C(C)CCC(=CF)CN;SRUZKHGAJYBRFA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342272;MM342272;C=NN=C(C)NN=C;OGMIUIAZNSGRDZ-UHFFFAOYSA-N;112.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342273;MM342273;CNc1onc(N)c1C;UAGKEPZNXFIPJM-UHFFFAOYSA-N;127.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342274;MM342274;O=C(NO)NC1(CO)CC1;FACYGOGYLHXVLO-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342275;MM342275;CC=C(CC)CCC(C)=O;YCXZIPISEIJTLL-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342276;MM342276;CCC1(NC(=N)OC)CC1;INBBAFBDFBNIOB-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342277;MM342277;CCC(=CF)CCC(C)=O;WPASOZIRJMVPPB-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342278;MM342278;CCC1(NC(=O)OC)CC1;PAIWLHTWFXPMST-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342279;MM342279;CC=CC1CC1CCO;ISECNYLXELKQHD-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342280;MM342280;COC(=O)NC1(CO)CC1;CTLXDDGDGMFHLL-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342281;MM342281;CC(=O)CCC(=CF)CF;UBFQKJXTWAWGKL-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342282;MM342282;COC(=O)NC1(CF)CC1;DISGLDYKPLDAON-UHFFFAOYSA-N;147.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342283;MM342283;CC=C(CC)CCC(=N)N;LUAKZZFUBCVPHO-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342284;MM342284;C=C(CC)OC1(CC)CC1;BULCUQBQCDPBEP-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342285;MM342285;CCC(=CF)CCC(=N)N;NIBJINXFCUAONY-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342286;MM342286;C=C(CN)OC1(CC)CC1;RGPHOPXVNHSTOV-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342287;MM342287;CC=C(CN)CCC(=N)N;NJRRSCWCUCDNRB-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342288;MM342288;C=C(CO)OC1(CC)CC1;BYXWABCYPPUVHO-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342289;MM342289;N=C(N)CCC(=CF)CN;PCMQVKUVMGYJTL-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342290;MM342290;C=C(CF)OC1(CC)CC1;VKPGEYVDACNGNV-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342291;MM342291;CC=C(CO)CCC(=N)N;XPKKCMGWICZIRE-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342292;MM342292;C=C(CC)OC1(CN)CC1;JEGOAKXWDGJHRB-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342293;MM342293;CC=C(CF)CCC(=N)N;BXSGBERATAFCMG-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342294;MM342294;C=C(CN)OC1(CN)CC1;TZYUTCIVKORJOZ-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342295;MM342295;NN=CC1CC1CCO;IFBZJTPPMIXCBC-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342296;MM342296;C=C(CO)OC1(CN)CC1;LCVXXBXXAAUGTR-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342297;MM342297;CC=C(CN)CCC(N)=O;MIKIRNLUCGKYHM-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342298;MM342298;C=C(CC)OC1(CO)CC1;RRRVPJUVENDXTK-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342299;MM342299;NCC(=CF)CCC(N)=O;SFQNIZLFJCCGMT-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342300;MM342300;C=C(CN)OC1(CO)CC1;FRCWWMKZIVOXGS-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342301;MM342301;C=CCCCC1CC1O;RQYNRRRPNBIJKC-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342302;MM342302;C=C(CO)OC1(CO)CC1;GKBVKBVXJZYOHY-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342303;MM342303;CC=C(CC)CCC(=O)O;AHICPIKPYLMFNG-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342304;MM342304;C=C(CF)OC1(CO)CC1;RWLNLVSPTAGVRO-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342305;MM342305;CCC(=CF)CCC(=O)O;GQWXWCLVWABONL-UHFFFAOYSA-N;146.16;2.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342306;MM342306;C=C(CC)OC1(CF)CC1;LTNCSLWSAOJXCA-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342307;MM342307;NN=c1o[nH]c(=NO)o1;SCSCIGYQPBHEAA-UHFFFAOYSA-N;132.08;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342308;MM342308;C=C(CN)OC1(CF)CC1;QLYNMVPYXPYVPD-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342309;MM342309;O=C(O)CCC(=CF)CF;MIWIIGMSXMPOAM-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342310;MM342310;CCC(=O)OC1(CC)CC1;FMOAXIONBAHDPW-UHFFFAOYSA-N;142.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342311;MM342311;C=C(F)CCC(=CC)CC;IKUXTUQOWIVKQT-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342312;MM342312;CCC1(OC(=O)CO)CC1;HFVQCVJTRHBZCO-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342313;MM342313;C=C(F)CCC(=CC)CN;JQTVTKRBYMWXND-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342314;MM342314;CCC1(OC(=O)CF)CC1;XDCQCAXVWDTVIS-UHFFFAOYSA-N;146.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342315;MM342315;C=C(F)CCC(=CF)CN;UAQYCCCTDTWFDN-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342316;MM342316;NCC(=O)OC1(CN)CC1;BELRBTIOJGFVBZ-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342317;MM342317;O=CCCCC1CC1O;MUUDLZVKHRSIPZ-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342318;MM342318;NCC1(OC(=O)CO)CC1;UCICICIBOIVDBN-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342319;MM342319;C=C(C)CCC(CC)=NN;PPZYXRPZBMYMDH-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342320;MM342320;NCC1(OC(=O)CF)CC1;TZBAYBAWIXGBBP-UHFFFAOYSA-N;147.15;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342321;MM342321;C=C(C)CCC(CC)=NO;ORVJJNVGUZLKIH-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342322;MM342322;O=C(CO)OC1(CO)CC1;HPTUHGUHNCXEIR-UHFFFAOYSA-N;146.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342323;MM342323;N#CCCCC1CC1O;YNSFFORZMAOUBD-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342324;MM342324;CCC(=O)OC1(CF)CC1;LQENRWVCBSQLFG-UHFFFAOYSA-N;146.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342325;MM342325;C=C(C)CCC(CO)=NO;BTHPOAKZKFNWEP-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342326;MM342326;O=C(CO)OC1(CF)CC1;CRWNAPFEKTZEBL-UHFFFAOYSA-N;148.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342327;MM342327;N=C(N)CCC(CN)=NO;PHZBRBKVHKLXLX-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342328;MM342328;O=C(CF)OC1(CF)CC1;XUANYLQJZGMHRX-UHFFFAOYSA-N;150.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342329;MM342329;N=C(N)CCC(CO)=NN;NKHUURQTHZZIBJ-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342330;MM342330;CCC1(OC(=N)NC)CC1;YAPQLWKNUOMXGJ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342331;MM342331;C#CCCCC1CC1O;NLHROWOWTHQMEZ-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342332;MM342332;CNC(=N)OC1(CN)CC1;AIRCAPZQSPMILK-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342333;MM342333;CCC(CCC(N)=O)=NO;KXOWULMYCWGOJN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342334;MM342334;N=C(NO)OC1(CN)CC1;LOHUCMQGTAPQSU-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342335;MM342335;CC=NNC1CC1C=O;ZMDNIRIURHJHJA-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342336;MM342336;CCC1(OC(=O)NC)CC1;MBZTZBFBEHABKU-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342337;MM342337;Oc1ncn[nH]1;LZTSCEYDCZBRCJ-UHFFFAOYSA-N;85.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342338;MM342338;C#CCC1CC1CO;SKCSEYREHKQXKO-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342339;MM342339;N#Cc1onnc(=N)c1O;NDSASFKKQMDWSO-UHFFFAOYSA-N;138.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342340;MM342340;CCC1(OC(=O)NO)CC1;SIHIOIZOFOTLJR-UHFFFAOYSA-N;145.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342341;MM342341;C=C(F)CCC(CC)=NN;INTVESFTMLGSRK-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342342;MM342342;CNC(=O)OC1(CN)CC1;KGCVGDOUUZFZMY-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342343;MM342343;C=C(F)CCC(CC)=NO;BOEHCYXGSJBGQC-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342344;MM342344;CNC(=O)OC1(CO)CC1;WJBZWCMTWKCMOA-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342345;MM342345;C=C(C)CCC(=NC)NC;CEQQFLDWBJFWOX-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342346;MM342346;N#Cc1n[nH]cc1N;PKRKJRIVVOGXHM-UHFFFAOYSA-N;108.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342347;MM342347;CC(=O)CCC(=NO)NO;JLVISTILPDAAIQ-UHFFFAOYSA-N;146.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342348;MM342348;O=C(NO)OC1(CO)CC1;AOKYRHBZAWEYST-UHFFFAOYSA-N;147.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342349;MM342349;CN=C(CCC(=N)N)NC;ZKXYFMUVSZLMIU-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342350;MM342350;O=C(NO)OC1(CF)CC1;KEYQTTIBSZGFPK-UHFFFAOYSA-N;149.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342351;MM342351;N=C(N)CCC(=NN)NO;LCNXNTZFLQCSLZ-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342352;MM342352;CCC1(OC(=O)OC)CC1;OQISRZIPEFIMKE-UHFFFAOYSA-N;144.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342353;MM342353;N=C(N)CCC(=NO)NO;GIVBETKFZDKUSK-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342354;MM342354;COC(=O)OC1(CN)CC1;PWMOSZCOIKMBRQ-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342355;MM342355;NC(=O)CCC(=NO)NO;ZSJWUVWRPRCNMA-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342356;MM342356;COC(=O)OC1(CO)CC1;OSDMDKKCOVJZNZ-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342357;MM342357;CC=Cc1n[nH]c(O)n1;VMBODIVTJFCPBS-UHFFFAOYSA-N;125.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342358;MM342358;COC(=O)OC1(CF)CC1;DZCVRSARDJPNSR-UHFFFAOYSA-N;148.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342359;MM342359;C=C(F)CCC(=NC)NC;WDZGQGGOHYRDOF-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342360;MM342360;C=C(CC)OC1(OC)CC1;ATHDZFRRMLPCAO-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342361;MM342361;C=C(C)CCC(=CC)OC;MZLBDKSDOKIOML-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342362;MM342362;C=C(CN)OC1(OC)CC1;DGGNTIBAHRJAAC-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342363;MM342363;CC=C(CCC(C)=O)OC;JBRWOFIKJSHKDD-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342364;MM342364;C=C(CO)OC1(OC)CC1;NWHLXMJWFANACF-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342365;MM342365;OC1CC1CCC1CC1;DMIUBSSZODSOHV-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342366;MM342366;C=C(CF)OC1(OC)CC1;GEWOIDONJZZAIQ-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342367;MM342367;C=Cc1n[nH]c(O)n1;SZOLGODEPBMJOC-UHFFFAOYSA-N;111.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342368;MM342368;CCC(=O)OC1(OC)CC1;CHMWMAFSQZNCNS-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342369;MM342369;C=C(F)CCC(=CC)OC;RAZRMVXXLHWVON-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342370;MM342370;COC1(OC(=O)CO)CC1;ZIGDOVRFPMBWQA-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342371;MM342371;OC1CC1CCC1CO1;CYPLCSCPLBZJMH-UHFFFAOYSA-N;128.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342372;MM342372;COC1(OC(=O)CF)CC1;SQJLOGPUEHGHBT-UHFFFAOYSA-N;148.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342373;MM342373;C=C(C)CCC(=NO)OC;FFLFWZBFDGBJRC-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342374;MM342374;COC(CCC(C)=O)=NO;HNBGTIKJIFNRSY-UHFFFAOYSA-N;145.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342375;MM342375;CNC(=N)OC1(OC)CC1;MLACTMLVWCPHSB-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342376;MM342376;CC(=CC(N)=O)CC(C)C;PLPNBMCDENVLQN-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342377;MM342377;CNC(=O)OC1(OC)CC1;RSTQZPSCVQTYIM-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342378;MM342378;C=C(F)CCC(=NO)OC;UGMYNLIMVJWOLM-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342379;MM342379;C=C(C)C(C)=CC(C)O;AOHAARDZXCCNDH-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342380;MM342380;CC=C(CC)CNC(C)=N;QOBNKMHCESJLME-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342381;MM342381;C=C(CN)CC1(CC)CN1;LUAWHAVDZUFOGM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342382;MM342382;CCC(=CF)CNC(C)=N;FUCPWMWVNQGNHU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342383;MM342383;C=C(CN)CC1(CN)CN1;NAQNCYSHXYWKFV-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342384;MM342384;CC=C(CF)CNC(C)=N;LYPAJQJWHLQJMK-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342385;MM342385;C=C(CO)CC1(CN)CN1;ZDRAJGONXOUHSB-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342386;MM342386;C=CC(C)(C)CCC(N)=O;AAVWMXQAGPWYAY-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342387;MM342387;C=C(CF)CC1(CN)CN1;ZYIFOKREAXREEE-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342388;MM342388;CCC(=CF)CNC(C)=O;QGJZEVKWDPGRQJ-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342389;MM342389;C=C(CN)CC1(CO)CN1;XWOCMBMJFXKSQP-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342390;MM342390;CC(=O)NCC(=CF)CN;BDQYCMPRTZFWCC-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342391;MM342391;C=C(CC)CC1(CF)CN1;UILFALCBONHWNM-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342392;MM342392;CC=C(CF)CNC(C)=O;OLAYXYNBTVDNFR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342393;MM342393;CC(F)=CC(C)CCO;AYFLYAOWTDYGRX-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342394;MM342394;CC=C(CC)CNC(=N)N;OZXAFVPQATVHFS-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342395;MM342395;CCC1(CC(=N)NC)CN1;KLNVNCCWHQDXRJ-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342396;MM342396;CC=C(CN)CNC(=N)N;AXGFTRXDSAQXQR-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342397;MM342397;CCC1(CC(=N)NN)CN1;KMOLCNXBUGJNFI-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342398;MM342398;N=C(N)NCC(=CF)CN;ZZDHEWYDKTUJMZ-UHFFFAOYSA-N;146.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342399;MM342399;CCC1(CC(=N)NO)CN1;MOLPFDATSCHLKL-UHFFFAOYSA-N;143.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342400;MM342400;CC=C(CO)CNC(=N)N;IZYFUMPGSIYGII-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342401;MM342401;CNC(=N)CC1(CN)CN1;XXVVRGVRJNDVLF-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342402;MM342402;CC=C(CF)CNC(=N)N;DHAMHBJFUSJEPM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342403;MM342403;N=C(CC1(CN)CN1)NO;ZIXDWMFROVLWSA-UHFFFAOYSA-N;144.18;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342404;MM342404;N=C(N)NCC(=CF)CF;LMLFMYZVWXRYOE-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342405;MM342405;CNC(=N)CC1(CO)CN1;FKFAFDOCBPMINK-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342406;MM342406;CC=C(CC)CNC(N)=O;BGVWFDACVZBOGL-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342407;MM342407;N=C(CC1(CO)CN1)NN;DGUVHXLJOAGABT-UHFFFAOYSA-N;144.18;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342408;MM342408;CC=C(CN)CNC(N)=O;PJSARZBVLXDBFN-UHFFFAOYSA-N;143.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342409;MM342409;N=C(CC1(CO)CN1)NO;RUDAFOZNABUNTM-UHFFFAOYSA-N;145.16;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342410;MM342410;CC=C(CO)CNC(N)=O;ASIZJXPKEYVXNF-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342411;MM342411;CNC(=N)CC1(CF)CN1;NOMIIOZOGWOWJJ-UHFFFAOYSA-N;145.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342412;MM342412;CC=C(CF)CNC(N)=O;CISVNAKGOIIIGZ-UHFFFAOYSA-N;146.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342413;MM342413;CNC(=O)CC1(CN)CN1;HAMLQQKUKQRICS-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342414;MM342414;NC(=O)NCC(=CF)CF;APTBALHNAMMEBT-UHFFFAOYSA-N;150.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342415;MM342415;NCC1(CC(=O)NO)CN1;CFQJSSXEHDPLSP-UHFFFAOYSA-N;145.16;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342416;MM342416;CC(O)C(C)(C)C#CC#N;MCURQUSQASAICE-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342417;MM342417;CC(C=C(F)F)CCO;FDIXMNMMZAYGHX-UHFFFAOYSA-N;136.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342418;MM342418;CCC(CNC(=N)N)=NN;XONVIZNWIVMUSP-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342419;MM342419;C=C(CC1(CN)CN1)OC;HQZRETLLKJSGNZ-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342420;MM342420;N=C(N)NCC(CO)=NN;CTTYDQHLLJFOOD-UHFFFAOYSA-N;145.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342421;MM342421;C=C(CC1(CF)CN1)OC;LGUZJZROVLSBBT-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342422;MM342422;CCC(CNC(N)=O)=NO;BKLVHPVNRJROFW-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342423;MM342423;COC(=O)CC1(CN)CN1;VVKBTWQHEMACCG-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342424;MM342424;C=C(C)CCCCC(N)=O;HJSIFRBXZHMTME-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342425;MM342425;C=C(CO)C(C)(C)CC;PIXGOODTAUNTML-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342426;MM342426;CN=C(CNC(C)=N)NC;IRMJDFJZAUWSOO-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342427;MM342427;COC(=O)CC1(CF)CN1;FEERUBMPTRFDPU-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342428;MM342428;CC(=N)NCC(=NN)NN;UYTGSUGFEFSMIX-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342429;MM342429;C=C(CC)CC1(CC)CO1;GAVOYPYLIIDTFP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342430;MM342430;C=C(CN)CC1(CC)CO1;RNODEGZWZJZAAN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342431;MM342431;CC(=N)NCC(=NO)NN;LDWYZOZJFRGOGG-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342432;MM342432;C=C(CO)CC1(CC)CO1;SFDRBNYIWMZPLX-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342433;MM342433;CC(=N)NCC(=NO)NO;BEHSJBOCFFSTTP-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342434;MM342434;C=C(CF)CC1(CC)CO1;XEQFWAODEPZJDH-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342435;MM342435;CN=C(CNC(C)=O)NC;JDOYFLPQRFNWFB-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342436;MM342436;C=C(CC)CC1(CN)CO1;PYOZCJVCSFEHDB-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342437;MM342437;CN=C(CNC(C)=O)NN;SFQBXAPYNBWUPX-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342438;MM342438;C=C(CN)CC1(CN)CO1;NUZCGWZLSJDXNI-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342439;MM342439;CC(C)=CCCCC(N)=O;CVSPVMOYKWNJGR-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342440;MM342440;C=C(CO)CC1(CN)CO1;ZMBQDVOVOHJJSJ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342441;MM342441;CN=C(CNC(=N)N)NC;HKXVELIQCCRLCF-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342442;MM342442;C=C(CF)CC1(CN)CO1;DQEANXKEWHSDJB-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342443;MM342443;CN=C(CNC(=N)N)NN;VZWVSYHMHOBBCE-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342444;MM342444;C=C(CC)CC1(CO)CO1;RBHODBFJTFMTJL-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342445;MM342445;CN=C(CNC(=N)N)NO;SJLIQLYHKRSLJP-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342446;MM342446;C=C(CN)CC1(CO)CO1;RRKFCWXQSUSDTG-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342447;MM342447;N=C(N)NCC(=NN)NO;GZVCRCRMAPZWHB-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342448;MM342448;C=C(CO)CC1(CO)CO1;VLJPPUNQVHZXFE-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342449;MM342449;N=C(N)NCC(=NO)NO;YOORXSZRKVDENZ-UHFFFAOYSA-N;147.14;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342450;MM342450;C=C(CF)CC1(CO)CO1;WOKIAAHBAFYNJI-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342451;MM342451;CN=C(CNC(N)=O)NC;DTIISFHJGOPFRZ-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342452;MM342452;CCC(=O)CC1(CC)CO1;XVKCEGMPROAEQY-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342453;MM342453;NC(=O)NCC(=NO)NO;ZPNJRDASKJUNAN-UHFFFAOYSA-N;148.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342454;MM342454;CCC1(CC(=O)CO)CO1;BGASLRUJAHDHIV-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342455;MM342455;CC=C(CNC(C)=N)OC;IIMIKMDUYRCAGE-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342456;MM342456;CCC(=O)CC1(CO)CO1;WGCBROOWEDWUNX-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342457;MM342457;COC(=CF)CNC(C)=N;DNRSPIKOGRWOBF-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342458;MM342458;CCC(=O)CC1(CF)CO1;WGXZJMFOCVIHHO-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342459;MM342459;CC=C(CNC(C)=O)OC;JRLRXRACZSQWPL-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342460;MM342460;CCC1(CC(=N)NC)CO1;WGFVVMXBGPYTPY-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342461;MM342461;COC(=CF)CNC(=N)N;MAGIMZSFIYFUAL-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342462;MM342462;CCC1(CC(=N)NN)CO1;TYZYZIOMXVHIFN-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342463;MM342463;COC(=CF)CNC(N)=O;GUGUAVGBJRGEEB-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342464;MM342464;CNC(=N)CC1(CN)CO1;YDWGAGKKEQFTNG-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342465;MM342465;COC(CNC(C)=N)=NN;AJROEACIRLTOQQ-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342466;MM342466;COC(CNC(=N)N)=NN;WSORVYFJVUGBMK-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342467;MM342467;N=C(CC1(CN)CO1)NO;YGSJBPIWDKTERN-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342468;MM342468;C=CC(C)(ON=C)C(C)=O;RNYGSJFKFPCUDZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342469;MM342469;CNC(=N)CC1(CO)CO1;AEICUPMRYOCSPU-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342470;MM342470;C=C(C)OCC(=CC)CC;OCORYYYVVGWLOK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342471;MM342471;CNC(=N)CC1(CF)CO1;CBLSLEBKBGEGNP-UHFFFAOYSA-N;146.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342472;MM342472;C=C(C)OCC(=CF)CC;UIBZLVBCSLKJPV-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342473;MM342473;CCC1(CC(=O)NC)CO1;RBABQGVHYQWEFK-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342474;MM342474;C=C(C)OCC(=CC)CN;QBEKPPXSXMEEKC-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342475;MM342475;C#CC1(C)CC(CO)C1;CHTBPYPQDCIKQI-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342476;MM342476;C=C(C)OCC(=CC)CO;GOSALELQDZDUEI-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342477;MM342477;CCC1(CC(=O)NO)CO1;LHOLBUQSCISDDX-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342478;MM342478;CC=C(CC)COC(C)=O;ZVEWWITYGBKTSV-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342479;MM342479;CNC(=O)CC1(CN)CO1;ZGFOHRGLZJKBLQ-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342480;MM342480;CCC(=CF)COC(C)=O;BPGKIFLCQUDBBH-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342481;MM342481;NCC1(CC(=O)NO)CO1;TWNDMFUGIBVUHV-UHFFFAOYSA-N;146.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342482;MM342482;CC=C(CO)COC(C)=O;NGKTVTDPPCYMAM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342483;MM342483;CNC(=O)CC1(CO)CO1;LKXSZNUHIRADHD-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342484;MM342484;CC=C(CC)COC(=N)N;MWWJWRGSFGIWEE-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342485;MM342485;O=C(CC1(CO)CO1)NO;AHXUZBYPDNJLLU-UHFFFAOYSA-N;147.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342486;MM342486;CCC(=CF)COC(=N)N;GHDHGCMXGLGXJH-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342487;MM342487;C=C(CC1(CC)CO1)OC;VXHQWUQLIGKFSB-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342488;MM342488;N=C(N)OCC(=CF)CN;BYKJYAQQPCGZMS-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342489;MM342489;C=C(CC1(CN)CO1)OC;HBOWMFZWXDJVER-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342490;MM342490;CC=C(CO)COC(=N)N;QIZYIFGHMZPCHG-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342491;MM342491;C=C(CC1(CO)CO1)OC;IBVATMXKVFYUNU-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342492;MM342492;CC=C(CC)COC(N)=O;HRQDOBKRHQPOQH-UHFFFAOYSA-N;143.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342493;MM342493;CCC1(CC(=O)OC)CO1;KRAFWVPFYPJYKE-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342494;MM342494;CCC(=CF)COC(N)=O;BCVFJZUEKYNENV-UHFFFAOYSA-N;147.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342495;MM342495;COC(=O)CC1(CN)CO1;VFJKVKZFZHCKBG-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342496;MM342496;NCC(=CF)COC(N)=O;NIHFRCYVRRLRLB-UHFFFAOYSA-N;148.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342497;MM342497;COC(=O)CC1(CO)CO1;METJMUHUWSIJAY-UHFFFAOYSA-N;146.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342498;MM342498;CC=C(CF)COC(N)=O;HTNDYPUUYLPIPY-UHFFFAOYSA-N;147.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342499;MM342499;C=CC(=C)CC1(CC)CC1;NZYFWFMLTFXUKP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342500;MM342500;NC(=O)OCC(=CF)CF;IMDNAMIDDXDICL-UHFFFAOYSA-N;151.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342501;MM342501;C=C(C=O)CC1(CC)CC1;FFVCRMCOFSGDER-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342502;MM342502;C=C(C)OCC(CC)=NN;MWDRZEMROMHSAT-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342503;MM342503;C=C(C#N)CC1(CC)CC1;QVTQHODMGJEQOG-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342504;MM342504;C=C(C)OCC(CC)=NO;REUJWSNXVSXFCF-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342505;MM342505;C=CC(=C)CC1(CN)CC1;PZZBWQUPFUNUKE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342506;MM342506;CC=CC(C)CCC(N)=O;NFZSLTLEHSIHCR-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342507;MM342507;CC1(CC(=O)C#N)CN1;YEXQCKAWSWGRCW-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342508;MM342508;CCNc1n[nH]c(O)n1;SUNWAICEZWKMPZ-UHFFFAOYSA-N;128.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342509;MM342509;C=CC(=CC(C)O)CC;CTOCJYYIRPJADQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342510;MM342510;CCC(COC(C)=O)=NN;OTRAHMRETPQQHI-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342511;MM342511;CCC=NOCC(C)=O;KGGIUUPSAGOXHV-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342512;MM342512;C=C(C)C(C)CCC(N)=O;ZQUJYMZSUSUISS-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342513;MM342513;C=CC(=C)CC1(CF)CC1;CAQSPCAVCNKZDR-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342514;MM342514;CNc1n[nH]c(O)n1;KHJOQFFHWNZHHP-UHFFFAOYSA-N;114.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342515;MM342515;C=C(C#N)CC1(CF)CC1;MEOKLMNTVJKCME-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342516;MM342516;CCC(COC(=N)N)=NN;MBPAKOPYKMQMPY-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342517;MM342517;C=CC(=O)CC1(CC)CC1;TYFUSQNRPFZBRM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342518;MM342518;N=C(N)OCC(CO)=NN;ZJGOHDNCWCFHQO-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342519;MM342519;CCC1(CC(=O)C=O)CC1;HHVMUQAHGYLXET-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342520;MM342520;C=CC(C)CCCC(N)=O;CLNUEPJVJDVRDV-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342521;MM342521;CCC1(CC(=O)C#N)CC1;OTVXMPFUPSQART-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342522;MM342522;C=C(CC)CCCC(N)=O;BUQSEFTZIJCXEB-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342523;MM342523;C=CC(=O)CC1(CO)CC1;GYAAKZBLLQHXPI-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342524;MM342524;CCON=CC(O)C(=O)O;JTBIXTQXHSJNDM-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342525;MM342525;O=CC(=O)CC1(CO)CC1;IFYRFFXVAPIUCB-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342526;MM342526;C=C(C)OCC(=NC)NC;ILIATFANYQNROM-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342527;MM342527;C=CC(=O)CC1(CF)CC1;FRPDWXVDXJNMKL-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342528;MM342528;C=C(C)OCC(=NC)NN;NGLRZGALTNDFKC-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342529;MM342529;N#CC(=O)CC1(CF)CC1;GAFXRYICCQSRSF-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342530;MM342530;CC=C(C)CCCC(N)=O;CMBREYGOLMALQK-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342531;MM342531;C=CC(=C)CC1(NC)CC1;UVTZCODNZGCRLK-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342532;MM342532;C=C(C)OCC(=NO)NO;JLBGBOUVSDVCMM-UHFFFAOYSA-N;146.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342533;MM342533;C=C(C=O)CC1(NC)CC1;VWKZARCFQMBJMN-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342534;MM342534;C=CC(O)C=C(C)C=CC;YZJNVVLCYUIWMQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342535;MM342535;C=C(C#N)CC1(NC)CC1;QQAWCSKLIAJRFU-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342536;MM342536;CC(=O)OCC(=NO)NN;LYNZQEMKJKGLLX-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342537;MM342537;C=CC(=O)CC1(NC)CC1;GQGCSQOWCHOPJM-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342538;MM342538;CNC1(CC(=O)C=O)CC1;KKTBRKBOBVOSAP-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342539;MM342539;C=C(C)OCC(=CC)OC;XFPRUHKJDGQNOS-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342540;MM342540;C=C(C)OCC(=CF)OC;MYLJEXAYPDYUBL-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342541;MM342541;CNC1(CC(=O)C#N)CC1;OBZJXOKOCXFEAH-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342542;MM342542;CC=C(COC(C)=O)OC;FSSKXKPIDDIHKB-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342543;MM342543;C=CC(=C)CC1(OC)CC1;IBUDEUKNJHBAEL-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342544;MM342544;COC(=CF)COC(C)=O;HVAVAWVBKWSVLC-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342545;MM342545;C=C(C=O)CC1(OC)CC1;YGFNAKCEPHKEKX-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342546;MM342546;C=C(C#N)CC1(OC)CC1;MENPJCYXRMGKNR-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342547;MM342547;CC=C(COC(=N)N)OC;JWLLNEWCEVHMHV-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342548;MM342548;C=CC(=O)CC1(OC)CC1;VPEADDCWRSCIEB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342549;MM342549;COC(=CF)COC(=N)N;GQPAWRJIMCKPQA-UHFFFAOYSA-N;148.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342550;MM342550;COC1(CC(=O)C=O)CC1;DFOSSPHCERFQSN-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342551;MM342551;CC=C(COC(N)=O)OC;FNBLVCMIAAZJAZ-UHFFFAOYSA-N;145.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342552;MM342552;COC1(CC(=O)C#N)CC1;XDQJIXFBKMIDLF-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342553;MM342553;CCC(=CC(C)=O)CCO;BLSFGTZSCRPZAZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342554;MM342554;C=CC(=N)NC1(CC)CC1;LRCLOPHYCJGROU-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342555;MM342555;COC(COC(=N)N)=NN;ZYHSUKZKEIJXFV-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342556;MM342556;CCC1(N=C(N)C=O)CC1;VMEWTIPIIBGCHZ-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342557;MM342557;CCC(=CC(N)=O)C(C)C;WXLZYEMNQPEDQX-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342558;MM342558;CCC1(NC(=N)C#N)CC1;IFLTWNKELRMYKZ-UHFFFAOYSA-N;137.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342559;MM342559;C=CCCCCCC(N)=O;MGGLDHGXKBFMOB-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342560;MM342560;C=CC(=N)NC1(CN)CC1;ALUKTJHXIBSHMP-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342561;MM342561;CCC(=NCC(=N)N)NC;QUTCAXQTDFOSDO-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342562;MM342562;C=CC(=N)NC1(CO)CC1;CYSCLBCFJRYLFH-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342563;MM342563;CCC(=NO)NCC(=N)N;HFGKYGFMSCJBNG-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342564;MM342564;C=NOCC(=O)CCC;BYOQBPTVTUGAPD-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342565;MM342565;N=C(N)CNC(CN)=NO;LRULHULMXNJMEQ-UHFFFAOYSA-N;145.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342566;MM342566;C=CC=CC(C)CCO;QWUSCZCQNUCJHH-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342567;MM342567;CN=C(CO)NCC(=N)N;NUNQDBSXFONYSS-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342568;MM342568;C=CC(=N)NC1(CF)CC1;BJHAHFOFIAUOAH-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342569;MM342569;N=C(N)CNC(CO)=NN;AQVBCUWRFDQIBJ-UHFFFAOYSA-N;145.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342570;MM342570;N#CC(=N)NC1(CF)CC1;GPGKPRITKOUPDT-UHFFFAOYSA-N;141.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342571;MM342571;N=C(N)CN=C(CO)NO;ONVFKGJXGQCRQV-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342572;MM342572;CC(C=CC=O)CCO;IHDHQUMHJZWXSK-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342573;MM342573;CN=C(CO)NCC(N)=O;CAQVSABOVPFXJA-UHFFFAOYSA-N;145.16;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342574;MM342574;CCC1(NC(=O)C=O)CC1;KTGJDFRCPOOGEY-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342575;MM342575;CC=CC=CC(O)C=CC;IXEMXQUVVJDCQF-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342576;MM342576;CCC1(NC(=O)C#N)CC1;INMMMSVQLXRSIA-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342577;MM342577;CC(F)(C=NN)C(=O)O;ZUDGEBWDOCFPRW-UHFFFAOYSA-N;134.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342578;MM342578;C=CC(=O)NC1(CN)CC1;KMJZFCCZYDNXBY-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342579;MM342579;C=C(F)CN=C(CC)NC;OCZNRXOIKYEJJO-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342580;MM342580;C=CC(=O)NC1(CO)CC1;XDFHYYMFYYHDAO-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342581;MM342581;CC(=O)C(C)=C(C)CCO;KOTGMJRHDRFETO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342582;MM342582;O=CC(=O)NC1(CO)CC1;YUFZJBWQCWKDOG-UHFFFAOYSA-N;143.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342583;MM342583;C=C(F)CNC(CO)=NC;GJKHRLFHBRAUOY-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342584;MM342584;O=CC(=O)NC1(CF)CC1;YDHHFKANIYGOHI-UHFFFAOYSA-N;145.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342585;MM342585;C=C(C)CNC(=NN)NC;QYEOVAQXCIFDSM-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342586;MM342586;N#CC(=O)NC1(CF)CC1;VYDOQMJVOQWDBK-UHFFFAOYSA-N;142.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342587;MM342587;C=C(C)CNC(=NC)NN;QYEOVAQXCIFDSM-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342588;MM342588;C=CC(=C)OC1(CC)CC1;WGRZHHMGFHLHMH-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342589;MM342589;C=C(C)CNC(=NC)NO;LQXJCUXOTTTZAY-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342590;MM342590;C=C(C=O)OC1(CC)CC1;MTVXWZYLUAACCO-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342591;MM342591;C#CC(C#C)=CC(O)CC;KBGVQTHVKFDKRR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342592;MM342592;C=C(C#N)OC1(CC)CC1;OHXVTYIEBNKEPU-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342593;MM342593;CN=C(NC)NCC(=N)N;UARWPFFYCPENHU-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342594;MM342594;C=CC(=C)OC1(CO)CC1;KTKAUCPBJSTOSR-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342595;MM342595;CNC(=NN)NCC(=N)N;IVNSEXLSUKWGRL-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342596;MM342596;C=C(C=O)OC1(CO)CC1;JBFRWAICJSDANW-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342597;MM342597;CNC(=NO)NCC(=N)N;JMVNEFRMXJZITQ-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342598;MM342598;C=C(C#N)OC1(CO)CC1;YCRFGVHIDYHZBN-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342599;MM342599;CN=C(NN)NCC(=N)N;IVNSEXLSUKWGRL-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342600;MM342600;C=C(C#N)OC1(CF)CC1;MOLPPYOHCWULSP-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342601;MM342601;N=C(N)CNC(=NN)NN;BGQVHZOWKWIYCD-UHFFFAOYSA-N;145.17;-2.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342602;MM342602;C=CC(=O)OC1(CC)CC1;CGNXVAVNQCIAEZ-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342603;MM342603;N=C(N)CNC(=NO)NN;XRUOXOAIFZHYBW-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342604;MM342604;CCC1(OC(=O)C=O)CC1;QPXIDEBOTOMMFQ-UHFFFAOYSA-N;142.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342605;MM342605;CN=C(NO)NCC(=N)N;JMVNEFRMXJZITQ-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342606;MM342606;CCC1(OC(=O)C#N)CC1;PNVOCKWGIVEVNR-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342607;MM342607;N=C(N)CNC(=NN)NO;XRUOXOAIFZHYBW-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342608;MM342608;C=CC(=O)OC1(CN)CC1;HWOVCZLUHCODOZ-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342609;MM342609;N=C(N)CNC(=NO)NO;DKCVTROIPMICRW-UHFFFAOYSA-N;147.14;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342610;MM342610;C=CC(=O)OC1(CO)CC1;KYKQIRPWBKMSMD-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342611;MM342611;CN=C(NC)NCC(N)=O;WRYDAHMHPQWKIB-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342612;MM342612;O=CC(=O)OC1(CO)CC1;RDYJHSUCMXFQOM-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342613;MM342613;CNC(=NN)NCC(N)=O;JCMLODJDTOWDNB-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342614;MM342614;N#CC(=O)OC1(CO)CC1;RGCUUOUTVZSOBE-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342615;MM342615;CN=C(NN)NCC(N)=O;JCMLODJDTOWDNB-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342616;MM342616;N#CC(=O)OC1(CF)CC1;SLXYHOWSZSOECB-UHFFFAOYSA-N;143.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342617;MM342617;NN=C(NN)NCC(N)=O;CTKSUXPWMUNRAY-UHFFFAOYSA-N;146.15;-3.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342618;MM342618;C=CC(=C)OC1(OC)CC1;KCRBSEGHYFWICF-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342619;MM342619;CN=C(NO)NCC(N)=O;FSOQDLBAIZSFOF-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342620;MM342620;C=C(C=O)OC1(OC)CC1;BYIIZXVLEIIJBS-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342621;MM342621;C=CC(CC)CCC(N)=O;GRVJVGQSQPWPPV-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342622;MM342622;C=CC(=O)OC1(OC)CC1;RCVZGYZUUNNVFU-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342623;MM342623;NN=CC(O)C(=O)O;QFZRDBOVYLDFOI-UHFFFAOYSA-N;118.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342624;MM342624;COC1(OC(=O)C=O)CC1;IWVAOWQXNHAOIL-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342625;MM342625;C=C(F)CNC(=NC)NC;ORNXKBZVVZSKCQ-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342626;MM342626;COC1(OC(=O)C#N)CC1;NPTCWPLAYZKUHF-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342627;MM342627;C=C(F)CNC(=NN)NN;PARGDBAHOCCHBZ-UHFFFAOYSA-N;147.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342628;MM342628;C=CC(=C)CC1(CN)CN1;GTESZIPQIJXIKQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342629;MM342629;C#CC1(CO)CC(C#N)C1;AYOPHFYGXLHEEO-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342630;MM342630;CC(C=CC#N)CCO;NLFWJOBCFDUFIP-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342631;MM342631;CN=C(NCC(=N)N)OC;XEUCFDOQECSRBV-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342632;MM342632;C=CC(=C)CC1(CF)CN1;WNKOKWBYPBYLQS-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342633;MM342633;COC(=NN)NCC(=N)N;GTTUVCZYQOZRSZ-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342634;MM342634;C=C(C#N)CC1(CF)CN1;YQAJNQWKUCLYRO-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342635;MM342635;COC(=NO)NCC(=N)N;DKZCDRUSBFGZTA-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342636;MM342636;C=NNC(C)=NN=CC;MAPHPIHMNNFPPN-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342637;MM342637;CC=NOC(C)C(C)C=O;SSKSDNRDLHMTSQ-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342638;MM342638;CC(CO)CC#CCF;QMYXHIPMTWCUQD-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342639;MM342639;COC(=NO)NCC(N)=O;HCNNWTIEYIBFEJ-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342640;MM342640;Cc1nc(C=O)oc1N;BPTBWEQVVMKJRG-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342641;MM342641;NC(CO)=NN=CC(=O)O;WYVFFFBGCWRBDB-UHFFFAOYSA-N;145.12;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342642;MM342642;C=CC(=C)CC1(CC)CO1;ITWICCSIFWTQQR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342643;MM342643;CN(C)N=C(NN)C(=O)O;SIMHLZYLIXZGDJ-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342644;MM342644;C=C(C=O)CC1(CC)CO1;ATKDMEVGVQJZEL-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342645;MM342645;C=C(C#CCC)C(O)CC;GZAAAQVQMDJJCJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342646;MM342646;C=C(C#N)CC1(CC)CO1;GYMOFNOHODEHPG-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342647;MM342647;C=C(F)CNC(=NO)OC;QEWIBIUJBOBFFY-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342648;MM342648;C=CC(=C)CC1(CN)CO1;JCZUBYSGEYBADE-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342649;MM342649;CCC(=NN)NNC(C)=N;GDGZGJRCJWDHAV-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342650;MM342650;C=CC(=C)CC1(CO)CO1;FIJXADQXDASEBR-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342651;MM342651;CN=C(CN)NNC(C)=N;QRDNXEWUIDJEJA-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342652;MM342652;C=C(C#N)CC1(CO)CO1;IGOUOAFCYWBEEZ-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342653;MM342653;CC(=N)NNC(CN)=NO;BMCAIAIJPMTESU-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342654;MM342654;C=C(C#N)CC1(CF)CO1;AOBRWZXBLAHZDH-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342655;MM342655;CC(=N)NNC(CF)=NN;AJQPIJXFJLXBMV-UHFFFAOYSA-N;147.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342656;MM342656;C=CC(=O)CC1(CC)CO1;ZBJUKECFQIUPDT-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342657;MM342657;C=CCC(=CC=CF)CO;JQPZQLASTZRRQX-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342658;MM342658;CCC1(CC(=O)C=O)CO1;MIIURRPAHDDPIE-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342659;MM342659;N#CC#CC1=CCC(O)C1;MCINIDDTSGKMOQ-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342660;MM342660;CCC1(CC(=O)C#N)CO1;GILQJODBNYFZEM-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342661;MM342661;CC(=O)NN=C(CO)NO;ZYRBIPMOALHIAG-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342662;MM342662;O=CC(=O)CC1(CO)CO1;DLAQRPZRRFNMAK-UHFFFAOYSA-N;144.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342663;MM342663;C=CN(C=O)C=NCC=O;XOGCPEPALWNPQT-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342664;MM342664;N#CC(=O)CC1(CO)CO1;DHEGLFJVXJPPDG-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342665;MM342665;CC(=O)NN=C(CF)NO;XEBJNSTVVRETEE-UHFFFAOYSA-N;149.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342666;MM342666;O=CC(=O)CC1(CF)CO1;RAHGXMBJDBIKDV-UHFFFAOYSA-N;146.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342667;MM342667;CCC(=NC)NNC(=N)N;BXJOQHWQJXSHQY-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342668;MM342668;C#CC(=C)CC1(CC)CC1;DDOHZYMKZMLGPW-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342669;MM342669;N=C(N)NNC(CN)=NO;RCZIREIWRSCXHW-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342670;MM342670;C#CC(=C)CC1(CN)CC1;DSWLPKZBWFHLSW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342671;MM342671;CN=C(CO)NNC(=N)N;VVOBFZYDAPVMKY-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342672;MM342672;C#CC(=C)C1CC(O)C1;AHBADUJTXSMCOW-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342673;MM342673;N=C(N)NNC(CO)=NN;QHVHHYQIBAZACS-UHFFFAOYSA-N;146.15;-2.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342674;MM342674;C#CC(=C)CC1(CF)CC1;WJRBVPDOJPXJGB-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342675;MM342675;N=C(N)NN=C(CF)NO;AZYGQGFLCFDULF-UHFFFAOYSA-N;149.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342676;MM342676;C#CC(=O)CC1(CC)CC1;HKUKPFOMLVZKKQ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342677;MM342677;CCC(=NC)NNC(N)=O;QKAIWIVQASWZIU-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342678;MM342678;C#CC(=O)CC1(CO)CC1;TUTMGBRASBIYHG-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342679;MM342679;CCC(=NO)NNC(N)=O;RUSYKLFIDANUAD-UHFFFAOYSA-N;146.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342680;MM342680;C#CC(=O)CC1(CF)CC1;ZVNHHIQTSNRNDB-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342681;MM342681;C#CC(C=C)C(=C)CCO;GXTVTONDISIFKQ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342682;MM342682;C#CC(=C)CC1(NC)CC1;ZEJODSCYAPLQPL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342683;MM342683;CC#CC(C)C(=CC)CO;ZUGQPQQIBBJOJT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342684;MM342684;C#CC(=O)CC1(NC)CC1;HOSGLHVXWCPMJV-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342685;MM342685;CN=C(NC)NNC(C)=N;PUPHWJXGGWKQKC-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342686;MM342686;C#CC(=C)CC1(OC)CC1;DSGVMAZXUZGCMY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342687;MM342687;CC(=N)NNC(=NN)NN;HXEIFMZHDRHFCD-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342688;MM342688;C#CC(=O)CC1(OC)CC1;BDIFWFNFHNADBQ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342689;MM342689;CC(=N)NNC(=NO)NN;YJNZIJAROXXPCN-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342690;MM342690;C#CC(=N)NC1(CC)CC1;VXKCZPVYJIVIHN-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342691;MM342691;C#CC(=N)NC1(CN)CC1;KKZFITRHIIPJLE-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342692;MM342692;CC(=N)NNC(=NN)NO;YJNZIJAROXXPCN-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342693;MM342693;C#CC(=N)NC1(CO)CC1;JCUWGMLVRYYYTD-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342694;MM342694;CC(=N)NNC(=NO)NO;GPHYJQUPQLECOR-UHFFFAOYSA-N;147.14;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342695;MM342695;C#CC(=O)NC1(CC)CC1;PLVZGACOUXUGCN-UHFFFAOYSA-N;137.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342696;MM342696;C=CC(CO)=C(C)CCO;IWIYMDMATCPBQV-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342697;MM342697;C#CC(=O)NC1(CN)CC1;SURQXAAYZANJBG-UHFFFAOYSA-N;138.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342698;MM342698;CN=C(NC)NNC(=N)N;AEIONKBQLGLNNW-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342699;MM342699;C#CC(=O)NC1(CF)CC1;ULBSYDMJJJGTNY-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342700;MM342700;CN=C(NO)NNC(=N)N;QOIQCWONWFDDIF-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342701;MM342701;C#CC(=C)OC1(CC)CC1;XHKCUIKOTHYXEQ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342702;MM342702;NN=C(NN)NNC(N)=O;VZHPGPCGZDKKPK-UHFFFAOYSA-N;147.14;-3.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342703;MM342703;C#CC(=C)OC1(CN)CC1;CILITNKUIHXACT-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342704;MM342704;C#CC1(C(C)CC=O)CN1;OHWXQGKGSYCNNK-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342705;MM342705;C#CC(=C)OC1(CO)CC1;CNHJJTJCEWFMLZ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342706;MM342706;C=CC(C=O)=CC1CC1O;YELPESMNEBGLCM-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342707;MM342707;C#CC(=C)OC1(CF)CC1;WQJKUMPIBZWKJO-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342708;MM342708;COC(=NN)NNC(C)=N;JMJNWIMZMXSWEO-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342709;MM342709;C#CC(=O)OC1(CC)CC1;YGFNCYAIJYLNEV-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342710;MM342710;COC(=NO)NNC(C)=N;ZNQONAGHDZAOJC-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342711;MM342711;C#CC(=O)OC1(CN)CC1;CUMNMPJREXQLNH-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342712;MM342712;CN=C(NNC(=N)N)OC;XAXCDESFDUVBGH-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342713;MM342713;C#CC(=O)OC1(CO)CC1;OLAIAKYWXQIOES-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342714;MM342714;COC(=NN)NNC(=N)N;CWCXXUSVAOWPPL-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342715;MM342715;C#CC(=C)OC1(OC)CC1;FTBWLUHUHLUWDT-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342716;MM342716;COC(=NO)NNC(=N)N;UAANSRIWGIKQBI-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342717;MM342717;C#CC(=O)OC1(OC)CC1;WITWSTBYKQFTFU-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342718;MM342718;C=CC1CC=C(CO)C1=C;SLCXYGHPROAIQM-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342719;MM342719;C#CC(=C)CC1(CN)CN1;DNUJUZQTQDZUCG-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342720;MM342720;CNc1noc(NC)c1C;LUQFNSJYWQADCH-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342721;MM342721;C#CC(CC)C1CC1O;WGLOLEHIUQNQLG-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342722;MM342722;COC(=NO)NNC(N)=O;JPQFTAVWDZFBHI-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342723;MM342723;C#CC(=C)CC1(CC)CO1;XCJKHAFVIJAQEM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342724;MM342724;C=CC(=C)C1CC1CCO;NCGJSGBVFGRBKW-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342725;MM342725;C#CC(=C)CC1(CN)CO1;WPDSERGCONSKTO-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342726;MM342726;C=C(C#N)C1CC1CCO;MHSYIMRMGORTNV-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342727;MM342727;C#CC(=C)CC1(CO)CO1;NZNVSVFUBPGXFV-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342728;MM342728;C=CC(=O)C1CC1CCO;YJGQLKSWZQZAIS-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342729;MM342729;C#CC(=O)CC1(CC)CO1;MTCIKXPKYSVROR-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342730;MM342730;N#CC(=O)C1CC1CCO;ADZFKKFGIRJXQK-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342731;MM342731;C#CC(=O)CC1(CO)CO1;QBCCMDIKHRUIMN-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342732;MM342732;CC(=O)ON=C(CF)NO;WVNLHLZGBRHFPY-UHFFFAOYSA-N;150.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342733;MM342733;C=CC1(CC(=C)CC)CC1;XVEPJFRLUNWZKX-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342734;MM342734;C#CC(=C)C1CC1CCO;ZOGNCOCJIXLWJH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342735;MM342735;C=CC1(CC(=C)CN)CC1;HPLONAOMHVYNFK-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342736;MM342736;C#CC(=O)C1CC1CCO;YMSUZONZICBTGV-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342737;MM342737;C=CC1(CC(=C)CO)CC1;PIGNNAOMTDGADU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342738;MM342738;CC=C(C)C1CC1CCO;JPDGJVQLSDYAKX-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342739;MM342739;C=CC1(CC(=C)CF)CC1;VFQOTPGZJGLLID-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342740;MM342740;OCCC1CC1C(F)=CF;VSOFDRMNMKBOPB-UHFFFAOYSA-N;148.15;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342741;MM342741;C=C(CC)CC1(C=O)CC1;CACMTVGZZSNISQ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342742;MM342742;CCC=NNC1CC1C=O;ZRDRPWVTONHPHW-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342743;MM342743;C=C(CC)CC1(C#N)CC1;VKBKGAHTTVHVIJ-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342744;MM342744;CC(C)CCC(N)=O;ACMPWZQOUILVFB-UHFFFAOYSA-N;115.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342745;MM342745;C=C(CO)CC1(C=O)CC1;MYVIMJPRDPFYMO-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342746;MM342746;CC(=O)ONC(=NO)NO;JBMWJIJLHZRCHN-UHFFFAOYSA-N;149.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342747;MM342747;C=C(CO)CC1(C#N)CC1;ZHRMRAZTEZILGX-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342748;MM342748;CCC(C)CC(N)=O;SIMLCFANWCDGAF-UHFFFAOYSA-N;115.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342749;MM342749;C=C(CF)CC1(C=O)CC1;WZOYYTZCYQLMOI-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342750;MM342750;CCCCCC(N)=O;ALBYIUDWACNRRB-UHFFFAOYSA-N;115.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342751;MM342751;C=C(CF)CC1(C#N)CC1;KQNRNTLBIAELBD-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342752;MM342752;COC(=NO)NOC(C)=O;LPVDTFIHQWXHRS-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342753;MM342753;C=CC1(CC(=O)CC)CC1;TWMGOFZLMXHHSR-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342754;MM342754;CN(C=O)CCC=O;UXLPRYPAOBHEQG-UHFFFAOYSA-N;115.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342755;MM342755;C=CC1(CC(=O)CO)CC1;CWYHDTSFEWFERZ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342756;MM342756;C=C(C)COC(=CC)CC;FEULZVVWJRUKCE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342757;MM342757;C=CC1(CC(=O)CF)CC1;MCFMNMDRNRFZSR-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342758;MM342758;C=C(C)COC(=CF)CC;XTWZDDURDHSUDB-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342759;MM342759;CCC(=O)CC1(C=O)CC1;MRWAYGJENQZJDO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342760;MM342760;C=C(C)COC(=CC)CN;CTZYAMWBLDJAJS-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342761;MM342761;CCC(=O)CC1(C#N)CC1;YTTSUGVYMDGABC-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342762;MM342762;CC=C(CC)OCC(C)=O;YPBFDZOTRGUASS-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342763;MM342763;O=CC1(CC(=O)CO)CC1;YQOPIZXGJWHNAS-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342764;MM342764;CC=C(CC)OCC(=N)N;ORHAHZPWXRGROV-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342765;MM342765;N#CC1(CC(=O)CO)CC1;AKAYKYMEHLTKGN-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342766;MM342766;N=C(N)COC(=CF)CO;PKYNLPCMCOVHAK-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342767;MM342767;O=CC1(CC(=O)CF)CC1;JHDLEMCSWLATCE-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342768;MM342768;CCC(=CF)OCC(N)=O;LXDHPQBVCIMGMD-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342769;MM342769;N#CC1(CC(=O)CF)CC1;FRZXDCSBSWTPCO-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342770;MM342770;NC(=O)COC(=CF)CO;OPYHNEDTZCOSJG-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342771;MM342771;C=CC1(CC(=N)NC)CC1;BKEDKCDFTFJZRL-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342772;MM342772;C=C(F)COC(=CC)CC;RLEIOODWAXFKRZ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342773;MM342773;C=CC1(CC(=N)NN)CC1;SEPWJLIOOQGJJS-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342774;MM342774;C=C(F)COC(=CF)CN;HVUHNFWEFGAEDB-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342775;MM342775;C=CC1(CC(=N)NO)CC1;JMRGIVYCPBPQRD-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342776;MM342776;C#CC(C=C)CCO;JJVATWILAGLWAQ-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342777;MM342777;CN=C(N)CC1(C=O)CC1;BRDBNEJFUWUEJC-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342778;MM342778;C#Cc1ocnc1N;UMQYZHVPWHBXEX-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342779;MM342779;CNC(=N)CC1(C#N)CC1;FOYXOJNNVJVHMJ-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342780;MM342780;N=C(N)COC(CO)=NN;ODZXWSBGNFCLBV-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342781;MM342781;N#CC1(CC(=N)NO)CC1;NPVJVHALOGNPRQ-UHFFFAOYSA-N;139.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342782;MM342782;CC(C)(CC#N)CCO;QESRNKMPIHVTGP-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342783;MM342783;CC#CC(C)C1CC1O;VIEGCTPSMUAVSS-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342784;MM342784;O=CCOC(=O)CC(=O)O;FGMAJBUARHCOFE-UHFFFAOYSA-N;146.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342785;MM342785;O=C1CNC2(CF)CC12;XGJAHNFRPXYFSK-UHFFFAOYSA-N;129.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342786;MM342786;O=c1[nH]nc(O)[nH]1;UDATXMIGEVPXTR-UHFFFAOYSA-N;101.07;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342787;MM342787;C=CC1(CC(=O)NO)CC1;ZPAUFBJXQRUUBB-UHFFFAOYSA-N;141.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342788;MM342788;CONC(=O)C(=O)NC=O;MUPZTVKLABQIBP-UHFFFAOYSA-N;146.1;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342789;MM342789;CNC(=O)CC1(C=O)CC1;MHAKXERBAFLHOK-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342790;MM342790;CC1(CO)OC1C(=O)O;KRKDLOUBCFKPSA-UHFFFAOYSA-N;132.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342791;MM342791;CNC(=O)CC1(C#N)CC1;GPEKZDGTDVUGQC-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342792;MM342792;N#CC(F)C(=NO)C(N)=O;ZICUFNIYVPXNRT-UHFFFAOYSA-N;145.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342793;MM342793;O=CC1(CC(=O)NO)CC1;RWGLPYTWSHUOEW-UHFFFAOYSA-N;143.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342794;MM342794;N#CC(=NO)C(=O)CCO;YZGULJLYFAWCHE-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342795;MM342795;N#CC1(CC(=O)NO)CC1;FQTGZOCKSSXRRM-UHFFFAOYSA-N;140.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342796;MM342796;CC(O)CCC#CC#N;TZYZOLWSEXHZIO-UHFFFAOYSA-N;123.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342797;MM342797;C=CC1(CC(=C)OC)CC1;JWJRNTRTJZBPIT-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342798;MM342798;CC(=O)N(C)CCC=O;YHOZKPGZTTXLCZ-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342799;MM342799;C=C(CC1(C=O)CC1)OC;URPLPLGDMZMUGB-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342800;MM342800;C=CC(=O)CC=NN=C;UTDYDWWXFVDPON-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342801;MM342801;C=C(CC1(C#N)CC1)OC;GRHYIOVLAYKFLV-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342802;MM342802;CN=C(NC)OCC(C)=O;FUVJEKKSCZNAOE-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342803;MM342803;C=CC1(CC(=O)OC)CC1;AVZBBRYIWIVSOS-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342804;MM342804;CNC(=NO)OCC(C)=O;VDTUJTIJZAXMNF-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342805;MM342805;COC(=O)CC1(C=O)CC1;XMCUFQRZGFYJGZ-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342806;MM342806;CN=C(NC)OCC(=N)N;ZWHAJSKVSBYDKR-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342807;MM342807;COC(=O)CC1(C#N)CC1;RJNFWFRSPSXACH-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342808;MM342808;CNC(=NN)OCC(=N)N;HHCUEWUHDQOQJN-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342809;MM342809;C=CC1(NC(=N)CC)CC1;BOAQUQOBGOZQJE-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342810;MM342810;CNC(=NO)OCC(=N)N;GLVCYULMKYSUHL-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342811;MM342811;C=CC1(NC(=N)CN)CC1;CSSINUPJEKLEPE-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342812;MM342812;CN=C(NN)OCC(=N)N;HHCUEWUHDQOQJN-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342813;MM342813;C=CC1(NC(=N)CO)CC1;XMPUZENUVTUUCY-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342814;MM342814;N=C(N)COC(=NO)NN;FDECVBCGURPFIZ-UHFFFAOYSA-N;147.14;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342815;MM342815;CCC(=N)NC1(C=O)CC1;KILXSOXKPKNFPV-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342816;MM342816;CN=C(NO)OCC(=N)N;GLVCYULMKYSUHL-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342817;MM342817;CCC(=N)NC1(C#N)CC1;QBCSZQIOTVXURS-UHFFFAOYSA-N;137.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342818;MM342818;CN=C(NC)OCC(N)=O;ZAXMAODOIHZANW-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342819;MM342819;N=C(CF)NC1(C=O)CC1;MCPUOUXPIYZGMQ-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342820;MM342820;CNC(=NO)OCC(N)=O;QDAISFRTGZTJSV-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342821;MM342821;N#CC1(NC(=N)CF)CC1;RASVZEJEGKURHO-UHFFFAOYSA-N;141.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342822;MM342822;C=C(C#CC)C(O)CC;QECFUSBWMYPRJF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342823;MM342823;C=CC1(NC(=O)CC)CC1;HVKGUKYHXPFGJC-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342824;MM342824;C#CC(C=CC)CCO;DKIQDKRFCZAPCG-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342825;MM342825;C#CC(C=CF)CCO;DRKXBLFKEAWTQF-UHFFFAOYSA-N;128.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342826;MM342826;C=CC1(NC(=O)CO)CC1;PAJHXQHAMQLXFE-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342827;MM342827;CC(C=O)CC1CC1O;APHNDGVPONUFQW-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342828;MM342828;C=CC1(NC(=O)CF)CC1;RAIICGSOWJEBQB-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342829;MM342829;NC(=O)COC(=NO)NO;JBWXVNXGANOUDB-UHFFFAOYSA-N;149.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342830;MM342830;CCC(=O)NC1(C=O)CC1;UAZPQGLFMDZXTH-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342831;MM342831;C=Cn1[nH]nc(C)c1=O;VGHNQRGADCBHRF-UHFFFAOYSA-N;125.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342832;MM342832;CCC(=O)NC1(C#N)CC1;JXNDTCHCTWZERJ-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342833;MM342833;ON=c1nc(O)on1O;QXPLNRMQNITUSB-UHFFFAOYSA-N;133.06;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342834;MM342834;O=CC1(NC(=O)CO)CC1;JDGYDZMJQHGXEK-UHFFFAOYSA-N;143.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342835;MM342835;C=NN=c1[nH]oc(=NN)o1;ROKWCXVRYLZIJR-UHFFFAOYSA-N;143.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342836;MM342836;N#CC1(NC(=O)CO)CC1;SFMZIVMWHCKPAF-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342837;MM342837;Cc1nn(C)nc1O;JLQOGCYZMLVARY-UHFFFAOYSA-N;113.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342838;MM342838;C=CC1(NC(=N)NC)CC1;HTMAHQROOCZEJD-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342839;MM342839;O=C(O)CN(O)C=NO;KPCQVDOAJOAEHO-UHFFFAOYSA-N;134.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342840;MM342840;CNC(=N)NC1(C=O)CC1;SABGZHNKEMZFIW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342841;MM342841;CCC(=NO)C(O)C(=O)O;JJEBUYIQQGFAAS-UHFFFAOYSA-N;147.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342842;MM342842;CNC(=N)NC1(C#N)CC1;YVIYBRXEDBTVPQ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342843;MM342843;C=C(F)COC(=NC)NC;PBEXMCDHDRSDJB-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342844;MM342844;C=CC1(NC(=O)NC)CC1;PRNDOMRJJYAIEH-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342845;MM342845;C=C(F)COC(=NO)NC;QDPZXEMUSCYBPI-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342846;MM342846;C=CC(C)C1CC1CO;SQYAGKWKNOFYHW-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342847;MM342847;Cc1nn(C=N)nc1N;DQOZDHQABCVZSR-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342848;MM342848;CNC(=O)NC1(C=O)CC1;HPAWQOVIGJUUOQ-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342849;MM342849;CC#CCCC1CC1O;MWSZGWVSDSXBGL-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342850;MM342850;CNC(=O)NC1(C#N)CC1;OQRGIVFIBBHGSD-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342851;MM342851;O=CCCC1(CF)CN1;QVISNABUKUXPOZ-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342852;MM342852;C=CC1(NC(=O)OC)CC1;XGFYQLFMVDYDSU-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342853;MM342853;C=C(C)COC(=NO)OC;LXIDTNDOHKLOAW-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342854;MM342854;COC(=O)NC1(C=O)CC1;ZHXVYRZOGKXGHC-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342855;MM342855;COC(=NN)OCC(=N)N;MFBUWZRQOJEGFJ-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342856;MM342856;COC(=O)NC1(C#N)CC1;ZOGXBCAGBZDVRO-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342857;MM342857;COC(=NO)OCC(=N)N;OQWCYGPKBWUHKQ-UHFFFAOYSA-N;147.13;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342858;MM342858;C=CC1(OC(=C)CC)CC1;CAHRPTOIYQXJRX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342859;MM342859;COC1=NCC(C=O)N1;WORWPCSIVFEQHK-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342860;MM342860;C=CC1(OC(=C)CN)CC1;AIPJBCBLSZJARL-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342861;MM342861;COC(=NO)OCC(N)=O;SDSVGLICQWTHRO-UHFFFAOYSA-N;148.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342862;MM342862;C=CC1(OC(=C)CO)CC1;LPUWCVNIPZHXOQ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342863;MM342863;N=Cn1[nH]c(=O)ncc1=O;JMBNRMAGBQBVJX-UHFFFAOYSA-N;140.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342864;MM342864;C=C(CC)OC1(C=O)CC1;PJRWMELVOOZUHQ-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342865;MM342865;N=CN(C=O)CC(=O)O;ZVRLPVJSLQLNRG-UHFFFAOYSA-N;130.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342866;MM342866;C=C(CC)OC1(C#N)CC1;BNLTUJRTQOMOMS-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342867;MM342867;CCC(C(N)=O)C(C)(C)C;ZIGGAOASSDZCIT-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342868;MM342868;C=C(CO)OC1(C=O)CC1;BNWZCLPQYUXUSK-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342869;MM342869;C=C(F)COC(=NO)OC;UTWYCTDKVLQUAV-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342870;MM342870;C=C(CF)OC1(C=O)CC1;BMYGMGRUWVQWDI-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342871;MM342871;CC(=N)NOC(CO)=NN;YDZJUUZCUPURPV-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342872;MM342872;C=C(CF)OC1(C#N)CC1;RSGIWGQNILOUEV-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342873;MM342873;CC(=N)NOC(CF)=NN;JKKRPPGIXMTPKL-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342874;MM342874;C=CC1(OC(=O)CC)CC1;CSDDKFUOGJDLNX-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342875;MM342875;N=C(N)NOC(CO)=NN;NVILTNRFJDWSIQ-UHFFFAOYSA-N;147.14;-2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342876;MM342876;C=CC1(OC(=O)CO)CC1;VKGOYYHKDNRMSG-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342877;MM342877;CCC(=NO)ONC(N)=O;UARUZTISXQKRSF-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342878;MM342878;C=CC1(OC(=O)CF)CC1;IEVYGFHJOHLVKH-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342879;MM342879;NN=C(CO)ONC(N)=O;OBZIWXIGFYCENH-UHFFFAOYSA-N;148.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342880;MM342880;CCC(=O)OC1(C=O)CC1;OZXRFLMWPFIDDB-UHFFFAOYSA-N;142.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342881;MM342881;CC(=N)NOC(=NN)NN;QCNWQZOVUXEHNJ-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342882;MM342882;CCC(=O)OC1(C#N)CC1;YVROKMYADGCBCJ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342883;MM342883;CC(=N)NOC(=NO)NN;PNPOAPZMFIDYJH-UHFFFAOYSA-N;147.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342884;MM342884;CNC(=NN)ONC(C)=O;JGEWQUNQBZZNST-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342885;MM342885;O=CC1(OC(=O)CO)CC1;DXTKJAPMURVZFI-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342886;MM342886;CNC(=NO)ONC(C)=O;YXXFKAFKHHIMBY-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342887;MM342887;N#CC1(OC(=O)CO)CC1;XSHXACHJXHDBMW-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342888;MM342888;CN=C(NN)ONC(C)=O;JGEWQUNQBZZNST-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342889;MM342889;O=CC1(OC(=O)CF)CC1;HGPKFLQINVPQQL-UHFFFAOYSA-N;146.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342890;MM342890;CC(=O)NOC(=NN)NN;RWCNFTXOFCSJHI-UHFFFAOYSA-N;147.14;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342891;MM342891;N#CC1(OC(=O)CF)CC1;YNOBVDAPABCXAL-UHFFFAOYSA-N;143.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342892;MM342892;CC(=O)NOC(=NO)NN;YYBKDRKGINFDSA-UHFFFAOYSA-N;148.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342893;MM342893;C=CC1(OC(=N)NC)CC1;PBVJARPNSMZHDP-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342894;MM342894;CN=C(NO)ONC(C)=O;YXXFKAFKHHIMBY-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342895;MM342895;CNC(=N)OC1(C=O)CC1;XAVZSPFMBVGWCE-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342896;MM342896;CN=C(NC)ONC(=N)N;OLVFZWZXCGAMGM-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342897;MM342897;CNC(=N)OC1(C#N)CC1;UIKVZTXKYLSSTK-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342898;MM342898;CNC(=NN)ONC(=N)N;HHLRWBWWXRQMMI-UHFFFAOYSA-N;146.15;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342899;MM342899;C=CC1(OC(=O)NC)CC1;CGEZNAMCBKPFEQ-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342900;MM342900;CCC(C)(C)C=CC(N)=O;GJLGLWGFITZMNU-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342901;MM342901;CC(C=O)C1CC1CO;OFQGJEOBDWFNIT-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342902;MM342902;CNC(=NO)ONC(N)=O;SPTIEUXGCIZIRR-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342903;MM342903;C=CC1(OC(=O)NO)CC1;KMUOTYBSRFSUJC-UHFFFAOYSA-N;143.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342904;MM342904;CC(C)(C#CC=CF)CO;PLPOULLLHVGLLD-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342905;MM342905;CNC(=O)OC1(C=O)CC1;RCMMWSFHBNNRJT-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342906;MM342906;CCCC(C)C=CC(N)=O;JYWZQEWMMACIGI-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342907;MM342907;CNC(=O)OC1(C#N)CC1;BHALOBYXWLDLFY-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342908;MM342908;CC(C)C(C)C=CC(N)=O;UEPLUQIHCSTPAE-UHFFFAOYSA-N;141.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342909;MM342909;O=CC1(OC(=O)NO)CC1;NBHKHSCMFYXGPQ-UHFFFAOYSA-N;145.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342910;MM342910;NN=C(NO)ONC(N)=O;WHHZWHVDAGZDRK-UHFFFAOYSA-N;149.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342911;MM342911;N#CC1(OC(=O)NO)CC1;CVZUHVQNTUIDHW-UHFFFAOYSA-N;142.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342912;MM342912;NC(=O)NOC(=NO)NO;UIQOQGPQHKOEPH-UHFFFAOYSA-N;150.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342913;MM342913;C=CC1(OC(=O)OC)CC1;FGDCMOZSVXLJIX-UHFFFAOYSA-N;142.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342914;MM342914;COC(=NN)ONC(C)=N;SLSVSDYNUOEJIP-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342915;MM342915;COC(=O)OC1(C=O)CC1;AIUBEVNYXPYZTA-UHFFFAOYSA-N;144.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342916;MM342916;C=CC(=CC)CCC(=C)C;RIDIZPUGHJQXNY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342917;MM342917;COC(=O)OC1(C#N)CC1;UDXQNBONQNUQQD-UHFFFAOYSA-N;141.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342918;MM342918;C=CC(=CF)CCC(=C)C;GYVQKUKWMKCXQR-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342919;MM342919;C=CC1(CC(=C)CN)CN1;PAXKPAJZYZAORC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342920;MM342920;C=C(C)CCC(C=O)=CC;UDQCTCIGFXGULX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342921;MM342921;C=C(CC)CC1(C=O)CN1;IEVWMYBARIYGTF-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342922;MM342922;C=C(C)CCC(C#N)=CC;WWSMEIYGKCMWCJ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342923;MM342923;C=C(CC)CC1(C#N)CN1;ALCWOOGWRONDGM-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342924;MM342924;C=C(C)CCC(C#N)=CN;VHEWSUMXMGICHY-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342925;MM342925;CC(C=O)C1CN1C=O;HCVZIOWUXIHACV-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342926;MM342926;C=C(C)CCC(C=O)=CF;BQBNDRUKIRIMKO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342927;MM342927;CC1C(O)C1C=CC#N;IWOLTNQUSWKWQO-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342928;MM342928;C=C(C)CCC(C#N)=CF;GVSKTIJKOBEWND-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342929;MM342929;C=C(CF)CC1(C=O)CN1;TUZKTEXLYVFXAY-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342930;MM342930;C=CC(=CC)CCC(C)=O;HNJFEGYYRHHNAY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342931;MM342931;C=C(CF)CC1(C#N)CN1;YYYUSKKETYWUMO-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342932;MM342932;C=CC(=CF)CCC(C)=O;QMJWNKSUACGOBQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342933;MM342933;C=C(CO)C(C)(C)CCC;LEUHHYJVRGJALH-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342934;MM342934;CC=C(C#N)CCC(C)=O;NJCDAFWANRDPHU-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342935;MM342935;C=C(C)C=CC(C)CCO;TYICDEGVCLOZEL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342936;MM342936;CC(=O)CCC(C=O)=CN;IVDQWBQGHJOAHN-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342937;MM342937;CC(=O)C=CC(C)CCO;SRVZRBLEURKSOP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342938;MM342938;C#CCC(O)C=CCCC;VDGIHGODYGIADP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342939;MM342939;C=NNC(C)=NN=C(C)C;RMOLLVZSDOUERP-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342940;MM342940;C=CC(=CF)CCC(=N)N;ZMEDTPBJHDQJPX-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342941;MM342941;CC(=CC(C)CCO)CF;FDTLXKCLVJWGRL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342942;MM342942;N=C(N)CCC(C=O)=CN;DXISMWRXNRUMSF-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342943;MM342943;N#CC(=CN)CCC(=N)N;ZMAPPWBRVPTKGM-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342944;MM342944;CC(C=O)=CC(C)CCO;QWONXBHOGXHFAA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342945;MM342945;N=C(N)CCC(C=O)=CF;MCASURQDFXPQRH-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342946;MM342946;CC(C#N)=CC(C)CCO;ZKTXWVJQKBDGFG-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342947;MM342947;C#CCC(O)C=CCCF;CVBPLEIEHFYNDR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342948;MM342948;CC(C=C(F)C=O)CCO;CLPZZRLEOYAXRM-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342949;MM342949;CC=C(C#N)CCC(N)=O;MOJZACFNJOOATB-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342950;MM342950;C=CC(O)C(=C)CC(C)C;NIMSHQAQDFHFSE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342951;MM342951;C#CCC(=CC=C)CCO;HCGSZDMFZNKBGE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342952;MM342952;C=CC1(CC(=N)NC)CN1;GWYQUHSHLTUSPH-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342953;MM342953;CC(C)C(C(N)=O)C(C)C;UMJPVWFIBILILQ-UHFFFAOYSA-N;143.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342954;MM342954;C=CC1(CC(=N)NN)CN1;MAHPGIDNVMZYAI-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342955;MM342955;C=CC(=CC)CCC(=O)O;ROEUIQUITKYRTJ-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342956;MM342956;C=CC1(CC(=N)NO)CN1;JVNGORFZPMBYHC-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342957;MM342957;C=CC(=CF)CCC(=O)O;UJPIIEJTSCVCIA-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342958;MM342958;CN=C(N)CC1(C=O)CN1;VAOSGDAQYVRKQS-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342959;MM342959;CC=C(C#N)CCC(=O)O;XPBRNGAYYROMBQ-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342960;MM342960;CNC(=N)CC1(C#N)CN1;XKFIUUXFBCALTB-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342961;MM342961;CC(=NO)N=C(N)C(=O)O;WILVXTJCPVJTGX-UHFFFAOYSA-N;145.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342962;MM342962;CCOC=CC(C)CCO;XRUYUYFJOTYXFE-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342963;MM342963;C=CC(=CC)CCC(=C)F;MVHIZHUBYLYAOI-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342964;MM342964;N#CC1(CC(=N)NO)CN1;ZYIYBOBAQZKNNV-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342965;MM342965;C=CC(=CF)CCC(=C)F;ODQQQXRBHWNXHZ-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342966;MM342966;CC#CC=CC(C)CCO;IBMVVRNRDWOKMP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342967;MM342967;C=C(F)CCC(C=O)=CC;ZJPIMKNXUIEFIG-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342968;MM342968;CCC#CC=C(C)C(C)O;KGIZZMXIHUVASN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342969;MM342969;C=C(F)CCC(C#N)=CC;PKHJPBSHZCLMOD-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342970;MM342970;C=CC1(CC(=O)NO)CN1;XMZHLMZMGLIOPF-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342971;MM342971;C=C(F)CCC(C=O)=CF;LTFPKYOMICTMAL-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342972;MM342972;C#CCN(CC=O)CC=O;HXEOTZHWQQLQQK-UHFFFAOYSA-N;139.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342973;MM342973;C=CC(CCC(=C)C)=NN;GLSQNTAHNPOIGZ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342974;MM342974;CCNC(CC#N)C(C)=O;WTGQUMAWYZSDIN-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342975;MM342975;CC=CC(C)CC1CC1O;ASBXKAIBWIWQLF-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342976;MM342976;O=CC1(CC(=O)NO)CN1;ZFSFYXZSSQNYGV-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342977;MM342977;C=CC(CCC(N)=O)=NO;IFGQMWXOFHDZSQ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342978;MM342978;N#CC1(CC(=O)NO)CN1;DKWHLAXLNCMHMH-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342979;MM342979;C#CC(C(=O)O)N(O)C=N;FUKAMKAARFAAGG-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342980;MM342980;C=C(CC1(C=O)CN1)OC;QMUFCHYWGPYRTM-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342981;MM342981;CNN=C(C(=O)O)N(C)N;SKBKCAAKEHAZFD-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342982;MM342982;C=C(CC1(C#N)CN1)OC;KIPKOOJJWFEEMA-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342983;MM342983;CC(C)=CCC(=O)C(=O)O;FFSVKBVBEDNDEF-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342984;MM342984;C=CC1(CC(=O)OC)CN1;GAWOBHTXUBMMOE-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342985;MM342985;C=CC(CCC(=C)F)=NO;LGLWBSJBTYQMRS-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342986;MM342986;COC(=O)CC1(C=O)CN1;ZGKTUJCSBYFTFO-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342987;MM342987;O=c1c(O)c(F)on1O;RLOSGPQABPZWLL-UHFFFAOYSA-N;135.05;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342988;MM342988;COC(=O)CC1(C#N)CN1;JARBGXGALBEVIR-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342989;MM342989;C=CC(=CC)CNC(C)=N;PETCHPNFCKUXMV-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342990;MM342990;C=CC1(CC(=C)CC)CO1;HKHPGIHTMNGUAB-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342991;MM342991;CC=C(C#N)CNC(C)=N;OYOWPKOLFOUEHX-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342992;MM342992;C=CC1(CC(=C)CN)CO1;RIIDWQDFZNIMKG-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342993;MM342993;CC(=N)NCC(C=O)=CN;PSKJOIWISPLIIN-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342994;MM342994;C=CC1(CC(=C)CO)CO1;ZGEXDTAJRKNLOI-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342995;MM342995;CC(=N)NCC(C#N)=CN;QPQCTXDWLLUQIX-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342996;MM342996;C=CC1(CC(=C)CF)CO1;OBWDFYDEQDRCFF-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342997;MM342997;C#CC(CO)CC(=C)CF;QVKIYKXXOJDSAO-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342998;MM342998;C=C(CC)CC1(C=O)CO1;YIWYYUOWSILZNK-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM342999;MM342999;C=CC(=CF)CNC(C)=O;ZJFWUYRYWNAMJM-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343000;MM343000;C=C(CC)CC1(C#N)CO1;NEFRMKDQWDGHOP-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343001;MM343001;CC(=O)NCC(C=O)=CN;CNLBLJWLBNMTSH-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343002;MM343002;C=C(CO)CC1(C#N)CO1;MTGBQAKLVLQPFF-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343003;MM343003;C#CC(C#C)=CC(C)CO;YKUMNYNCLBSTFC-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343004;MM343004;C=C(CF)CC1(C=O)CO1;FGNXPKJFKFAHNG-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343005;MM343005;CC(=O)NCC(C=O)=CF;KCSUAORCJFCLFB-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343006;MM343006;C=CC1(CC(=O)CC)CO1;BJASBUOLWMSXEB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343007;MM343007;C=CC(=CC)CNC(=N)N;IZYPXVUMRNCVIZ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343008;MM343008;C=CC1(CC(=O)CO)CO1;GJINUWITRUFDLM-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343009;MM343009;CC=C(C#N)CNC(=N)N;MCGOQOVIZHQCHS-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343010;MM343010;C=CC1(CC(=O)CF)CO1;IIJCWAHMWXPEHX-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343011;MM343011;N=C(N)NCC(C=O)=CN;VFSJNWVEVRDSEB-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343012;MM343012;CCC(=O)CC1(C#N)CO1;WQNFAMHSMLCZBE-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343013;MM343013;C=CC(=CC)CNC(N)=O;VUDYFFDJEYTVCP-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343014;MM343014;NC=C(C=O)CNC(N)=O;DSOHMYIIAVMCDZ-UHFFFAOYSA-N;143.15;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343015;MM343015;O=CC1(CC(=O)CO)CO1;CZFSJIBZDVRWFZ-UHFFFAOYSA-N;144.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343016;MM343016;N#CC1(CC(=O)CO)CO1;GKARBYWBBDAPAF-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343017;MM343017;NC(=O)NCC(C=O)=CF;SDFVATUETYYQCI-UHFFFAOYSA-N;146.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343018;MM343018;O=CC1(CC(=O)CF)CO1;LYDLWZMWTVBWJV-UHFFFAOYSA-N;146.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343019;MM343019;C=CC(CNC(C)=O)=NO;COQZASVCVJGSJH-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343020;MM343020;N#CC1(CC(=O)CF)CO1;JJENWJOAORORKE-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343021;MM343021;C=CC(CNC(=N)N)=NN;HJNRUFZFQHMBKY-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343022;MM343022;C=CC1(CC(=N)NC)CO1;IZXAKSFRUWVUJI-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343023;MM343023;C=CC(CNC(=N)N)=NO;DPSIODARQRMVLR-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343024;MM343024;C=CC1(CC(=N)NN)CO1;JOUVIDYIGOVEBW-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343025;MM343025;N=c1nnc(O)nc(=O)[nH]1;BLRGFCSHVOXORS-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343026;MM343026;C=CC1(CC(=N)NO)CO1;BYEMMGKMTCAKTH-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343027;MM343027;C=CC(=CC)COC(=C)C;OYVKQZDIYWBQAC-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343028;MM343028;CN=C(N)CC1(C=O)CO1;YLILJIOAJPPMAA-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343029;MM343029;C=CC(=CF)COC(=C)C;DBTLTXQZBPLEAE-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343030;MM343030;CNC(=N)CC1(C#N)CO1;VZZYMTXZLLEKTG-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343031;MM343031;C=C(C)OCC(C=O)=CC;ATECOJSMBGSRNN-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343032;MM343032;C=C(C)OCC(C#N)=CC;HXRHFLGHMCPLFM-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343033;MM343033;C=C1C=C(CC#N)CC1O;SUYNTBMAINCMDO-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343034;MM343034;N#CC1(CC(=N)NO)CO1;IWGCUZWZGXXUKU-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343035;MM343035;C=C(C)OCC(C#N)=CN;MVLQIVOKFKNDRI-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343036;MM343036;C=CC1(CC(=O)NC)CO1;MWQRAGBLFMZREG-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343037;MM343037;C=C(C)OCC(C#N)=CF;GHNODRNKQBPXKR-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343038;MM343038;C#CC1(CC)CC(CO)C1;TYEAOLOFILFTTF-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343039;MM343039;C=CC(=CC)COC(C)=O;IXFQSDYOYQNQKA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343040;MM343040;C=CC1(CC(=O)NO)CO1;XVWRNJQEAHMPSF-UHFFFAOYSA-N;143.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343041;MM343041;C=CC(=CF)COC(C)=O;QYQIIBPJWPMVGG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343042;MM343042;CC=C(C=O)COC(C)=O;SPMALVQSPLOCPK-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343043;MM343043;CNC(=O)CC1(C=O)CO1;ABGUWCZLFJFNFH-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343044;MM343044;CNC(=O)CC1(C#N)CO1;CSPWNYYEWDOKMW-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343045;MM343045;CC=C(C#N)COC(C)=O;OQCQZHNWYCQJRC-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343046;MM343046;O=CC1(CC(=O)NO)CO1;YKOOOEBEIIBMLJ-UHFFFAOYSA-N;145.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343047;MM343047;CC(=O)OCC(C=O)=CN;OMIAZMDCIFJPHV-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343048;MM343048;N#CC1(CC(=O)NO)CO1;LWKGKTDKLPOPGW-UHFFFAOYSA-N;142.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343049;MM343049;CC(=O)OCC(C#N)=CF;BTQLPLVWPKUJBA-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343050;MM343050;C=CC1(CC(=C)OC)CO1;UXOJAVVWRZZNFC-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343051;MM343051;C=CC(=CC)COC(=N)N;BPGNYJQZBKIRQF-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343052;MM343052;C=C(CC1(C=O)CO1)OC;JKAXIDUNVHJVRU-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343053;MM343053;CC=C(C=O)COC(=N)N;QQWUWDVBTZJSBX-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343054;MM343054;C=C(CC1(C#N)CO1)OC;LCBAQSISVQIYEJ-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343055;MM343055;N=C(N)OCC(C=O)=CN;MNWZHZWBWJQTBW-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343056;MM343056;C=CC1(CC(=O)OC)CO1;GTXZRXGHOCZRMQ-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343057;MM343057;N#CC(=CN)COC(=N)N;CDFSRMRXTCLLKV-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343058;MM343058;COC(=O)CC1(C=O)CO1;XVYQGBSMQNZGEQ-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343059;MM343059;C=CC(=CC)COC(N)=O;UKKXYVRJRROMNG-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343060;MM343060;COC(=O)CC1(C#N)CO1;MVJHZVLSWBVMHL-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343061;MM343061;C=CC(=CF)COC(N)=O;PNECSYVNEFKMKW-UHFFFAOYSA-N;145.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343062;MM343062;C=CC(=C)CC1(C=C)CC1;MKCRTMLDCRFIRW-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343063;MM343063;CC=C(C#N)COC(N)=O;RGMZDTSFWCCDRS-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343064;MM343064;C=CC1(CC(=C)C=O)CC1;LUVLLZDOCWRMSE-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343065;MM343065;NC=C(C=O)COC(N)=O;CKXSOYWWUBJKTQ-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343066;MM343066;C=CC1(CC(=C)C#N)CC1;SNGVBQHKSOIQBI-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343067;MM343067;NC(=O)OCC(C=O)=CF;LKPQSOQWGOJMCU-UHFFFAOYSA-N;147.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343068;MM343068;C=CC(=C)CC1(C=O)CC1;CWXVPJDZGSQRLU-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343069;MM343069;C=CC(COC(=C)C)=NN;JNFMYVRJRAGEAW-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343070;MM343070;C=CC(=C)CC1(C#N)CC1;HPYGXCMTIOYTTC-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343071;MM343071;C=CC(COC(=C)C)=NO;AWYYZHNUALLADY-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343072;MM343072;C=C(C=O)CC1(C=O)CC1;SNEBERKXVKTJCD-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343073;MM343073;Cc1c(O)[nH]n(O)c1=O;APTONBTYQPTQEU-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343074;MM343074;C=C(C=O)CC1(C#N)CC1;ADMYGRFUBFDQCR-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343075;MM343075;C=CC(COC(C)=O)=NN;XSNXQLSCKGWNRC-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343076;MM343076;C=C(C#N)CC1(C=O)CC1;QFADRUPBKSEEEG-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343077;MM343077;C=C(F)C(OC)C(=O)O;DSVGSAKJWZXXRA-UHFFFAOYSA-N;134.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343078;MM343078;C=C(C#N)CC1(C#N)CC1;RTGYSVULCASQPC-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343079;MM343079;C=CC(COC(=N)N)=NN;MYGJHQSXASNPIN-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343080;MM343080;C=CC(=O)CC1(C=C)CC1;XEYVQQJCHBLVIX-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343081;MM343081;C=CN(C=O)N=CC(F)F;GVJAOBQRXFQQAE-UHFFFAOYSA-N;148.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343082;MM343082;C=CC1(CC(=O)C=O)CC1;MXBOUSXKTMQEQG-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343083;MM343083;C=CC(COC(N)=O)=NO;DIRYHJYWIJVJGU-UHFFFAOYSA-N;144.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343084;MM343084;C=CC1(CC(=O)C#N)CC1;TVQMKEKKDOYVID-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343085;MM343085;C=C(C#CCOC)C(=O)O;KDYKAVZKCFDOIT-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343086;MM343086;C=CC(=O)CC1(C=O)CC1;VCGVSCGLNPBOMW-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343087;MM343087;C=CC(=NC)NCC(=C)C;HANAURVKHDHRCV-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343088;MM343088;C=CC(=O)CC1(C#N)CC1;FABQYDZEXKGEIM-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343089;MM343089;C=C(C)CNC(C#N)=NC;RVHVPLDXLZZUAW-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343090;MM343090;O=CC(=O)CC1(C=O)CC1;NMOFZHOBFDXNMZ-UHFFFAOYSA-N;140.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343091;MM343091;C=CC(=NN)NCC(=N)N;VERPDPQLXISVAC-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343092;MM343092;N#CC(=O)CC1(C=O)CC1;GHFQHKPFHGIGPU-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343093;MM343093;C=CC(=NCC(=N)N)NO;DNUJNXRZDPRXKD-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343094;MM343094;N#CC1(CC(=O)C=O)CC1;FPOWXGFVAOLEJF-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343095;MM343095;CN=C(C=O)NCC(=N)N;SHUHDMRMXPLBCM-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343096;MM343096;N#CC(=O)CC1(C#N)CC1;UJLCXKVNJPMCOR-UHFFFAOYSA-N;134.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343097;MM343097;CN=C(C#N)NCC(=N)N;DUAIPYDDSBWQGC-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343098;MM343098;C=CC(=N)NC1(C=C)CC1;MJHQMMGPQFRVDD-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343099;MM343099;N=C(N)CN=C(C=O)NO;GLYLDZYMHSQTLN-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343100;MM343100;C=CC1(NC(=N)C=O)CC1;UZVLGCQZBYCFRP-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343101;MM343101;CCC(O)C(C)C#CC#N;VEXPUMGZMDZRGS-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343102;MM343102;C=CC1(NC(=N)C#N)CC1;PDGVKAFBWWCBHH-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343103;MM343103;C=CC(=O)ON=CNN=C;GVHUXIZSPXGMKN-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343104;MM343104;C=CC(=N)NC1(C=O)CC1;XYNWDDOSTOEXRO-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343105;MM343105;N#CC(=NCC(N)=O)NO;ZUDFXWDKFGLRJT-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343106;MM343106;C=CC(=N)NC1(C#N)CC1;ONZFPMWWLUVSAQ-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343107;MM343107;C#CC(CO)OCC(=O)O;YQRJZIGHUCAOIB-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343108;MM343108;C#CC1(CO)CC(CO)C1;CMSFSEFBPFYTOD-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343109;MM343109;C=CC(=NC)NCC(=C)F;KCMODRZNXDATAM-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343110;MM343110;C#CC1(CF)CC(CO)C1;XJPHHJLBOSNIOQ-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343111;MM343111;C=CC(=O)CC=NN=CC;BGUYDTJQRVENSN-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343112;MM343112;C=C(C#N)C1(C)CC1CO;LCXKHZMRHLTZDT-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343113;MM343113;CN=C(C=O)NN=C(C)N;KMKDNPQVQZAMLI-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343114;MM343114;C#CC#CC=CC(C)CO;DVQUCAAXCFHIEY-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343115;MM343115;C=NN=C(NN=CC)OC;MQEUFZWBVHLQML-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343116;MM343116;CCC(=O)C(CC#N)NC;GRGIREXIMZMGQQ-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343117;MM343117;C=CC1(NC(=O)C=O)CC1;YMVHUDKQXNTFBT-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343118;MM343118;C=CC(=NC)NNC(=N)N;HXAQBUMTAYFQHK-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343119;MM343119;C=CC1(NC(=O)C#N)CC1;OOMPVTXSOYUFNC-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343120;MM343120;CN=C(C=O)NNC(=N)N;HWNHMEIWMPBMOF-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343121;MM343121;C=CC(=O)NC1(C=O)CC1;ORRHIFHHSFLVLF-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343122;MM343122;N=C(N)NN=C(C=O)NO;SOJOLJREJSIIKE-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343123;MM343123;C=CC(=O)NC1(C#N)CC1;AXUQNKJDOQZHIP-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343124;MM343124;C=CC(=NC)NNC(N)=O;ISJYHJDZSWGVAD-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343125;MM343125;O=CC(=O)NC1(C=O)CC1;WBMZMKAEKYBTSE-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343126;MM343126;C=CC(CC)CC1CC1O;IXIIUABTTBNHIO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343127;MM343127;N#CC(=O)NC1(C=O)CC1;IKFLCEOUZOOQCM-UHFFFAOYSA-N;138.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343128;MM343128;C=CC(CO)CC1CC1O;XEXKOGACKNSNNI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343129;MM343129;N#CC1(NC(=O)C=O)CC1;AXRBXHQDCHCLJQ-UHFFFAOYSA-N;138.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343130;MM343130;NC(=O)ON=C(C=O)NO;SWXXITPNENRHQL-UHFFFAOYSA-N;147.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343131;MM343131;N#CC(=O)NC1(C#N)CC1;DGLHYMPFNGDJSR-UHFFFAOYSA-N;135.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343132;MM343132;C=CC(=CC)OCC(=C)C;XHAQVLJOAORIBU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343133;MM343133;C=CC(=C)OC1(C=C)CC1;NYYLDSOHXQLTKN-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343134;MM343134;C=CC(=CF)OCC(=C)C;UTEVNXPZFVXBAO-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343135;MM343135;C=CC1(OC(=C)C=O)CC1;BIKQERKBIJLLTP-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343136;MM343136;C=C(C)COC(C#N)=CC;NRTHKZXRPQFDNQ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343137;MM343137;C=CC1(OC(=C)C#N)CC1;RSKQHTYSGIXIBM-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343138;MM343138;C=C(C)COC(C=O)=CN;HFJIMFPGDYDFCT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343139;MM343139;C=CC(=C)OC1(C=O)CC1;WMBZIFZSMZBFKG-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343140;MM343140;C=C(C)COC(C=O)=CF;PILBLDDEPKJIDL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343141;MM343141;C=CC(=C)OC1(C#N)CC1;XSXPZJVXISORGC-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343142;MM343142;C=CC(=CC)OCC(C)=O;CGENKXCPVOHUGF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343143;MM343143;C=C(C#N)OC1(C=O)CC1;TYEAPLLSCUITGA-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343144;MM343144;CC=C(C#N)OCC(C)=O;QPYQQFMCOUFPLB-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343145;MM343145;C=C(C#N)OC1(C#N)CC1;RYYUHHZZEGFRCO-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343146;MM343146;CC(=O)COC(C=O)=CN;JSAKGSPBNLAUML-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343147;MM343147;C=CC(=O)OC1(C=C)CC1;RVHWUNZIOUMHMX-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343148;MM343148;C=CC(=CC)OCC(=N)N;ZZGNWNFLQGEMJR-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343149;MM343149;C=CC(=CF)OCC(=N)N;WRTAALUTJAEKQE-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343150;MM343150;C=CC1(OC(=O)C=O)CC1;FPZHCGRNGRYNLA-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343151;MM343151;CC=C(C#N)OCC(=N)N;VCPWSKCBEJBQFM-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343152;MM343152;C=CC1(OC(=O)C#N)CC1;HUOSVCMPXWDFGV-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343153;MM343153;N#CC(=CN)OCC(=N)N;VZAAWKYDZXJBPN-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343154;MM343154;C=CC(=O)OC1(C=O)CC1;VAPIVWCJESCMKY-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343155;MM343155;N#CC(=CF)OCC(=N)N;BIJARLBWNDRYKT-UHFFFAOYSA-N;143.12;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343156;MM343156;C=CC(=O)OC1(C#N)CC1;CYGANSNQOUHFSF-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343157;MM343157;C=CC(=CC)OCC(N)=O;MEHJMPGDOCUBLT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343158;MM343158;O=CC(=O)OC1(C=O)CC1;PWGCORIEGJROEI-UHFFFAOYSA-N;142.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343159;MM343159;C=CC(CF)CC1CC1O;BJSKIEULJONVCK-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343160;MM343160;N#CC(=O)OC1(C=O)CC1;LJEFZSFZBNCOEF-UHFFFAOYSA-N;139.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343161;MM343161;N#CC(=CF)OCC(N)=O;LXCRPHOGTCGKNS-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343162;MM343162;N#CC1(OC(=O)C=O)CC1;DFEVBYMZJNYKOO-UHFFFAOYSA-N;139.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343163;MM343163;O=C(CF)C(CF)=NO;BDIQZMWPKBNKSD-UHFFFAOYSA-N;137.09;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343164;MM343164;N#CC(=O)OC1(C#N)CC1;BRTDYUFOIQGPHS-UHFFFAOYSA-N;136.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343165;MM343165;C=CC(=CC)OCC(=C)F;AQYDOSCARNXZKZ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343166;MM343166;C=CC1(CC(=C)C#N)CN1;JXTHIUGKKIXWOZ-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343167;MM343167;C=C(F)COC(C=O)=CC;CJRZQCGVIMTSMH-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343168;MM343168;C=CC(=C)CC1(C=O)CN1;GLAJVDUYFKLTAO-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343169;MM343169;C=C(F)COC(C#N)=CC;UOUNODUCALGCKB-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343170;MM343170;C=CC(=C)CC1(C#N)CN1;SGMVAONBJOIDRB-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343171;MM343171;C=C(F)COC(C=O)=CN;OLVNPMTTYBECJN-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343172;MM343172;C=C(C=O)CC1(C#N)CN1;GLONRWQBQDIBPY-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343173;MM343173;C=C(F)COC(C#N)=CN;MUPGSFNYOCICKL-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343174;MM343174;C=C(C#N)CC1(C=O)CN1;LRNZCNHGAQZFSP-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343175;MM343175;C=C(F)COC(C#N)=CF;VVRVAMFURVMXSQ-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343176;MM343176;C=C(C#N)CC1(C#N)CN1;LHMSPZCZRLYQCN-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343177;MM343177;C=CC(=NO)OCC(=N)N;LXNGPPXTVQWDCX-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343178;MM343178;CC(C)=C(CO)CCCF;RRMYMPWYIAOBOC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343179;MM343179;CCNc1cnn(CC)n1;QCSOHFXIECQHQX-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343180;MM343180;N#CC#Cc1ncc(N)o1;XEBTZOSZIUJOAV-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343181;MM343181;C=CC(=NO)OCC(N)=O;DXJCVHNWWMAZPZ-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343182;MM343182;N#CC#Cc1cc(N)no1;WMKCQKIQIYRGDN-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343183;MM343183;O=C(O)C(=CF)CO;LZTXXRVKWACCJL-UHFFFAOYSA-N;120.08;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343184;MM343184;C=CC#CC1CC(CO)C1;XFBZGUBSXNZFMI-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343185;MM343185;C=Cn1[nH]nc(CC)c1=O;RNNRYWCQNIDTGB-UHFFFAOYSA-N;139.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343186;MM343186;CC=C(CO)C(C)CCF;TUIGKQDSOVRRRG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343187;MM343187;CCn1nc(C)c(O)n1;WYZKQRBMBVHASW-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343188;MM343188;C=CC(CO)=C(C)C=CC;BQFJBPSBLZQDJE-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343189;MM343189;C#CCn1nc(C)c(O)n1;CLZCTINUBQQTQH-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343190;MM343190;C=CC(CO)=C(C)C=CF;YPDNKFVWDQYXBN-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343191;MM343191;N#CC12C=CC(O)CC1C2;DRMOBAISUSLDIN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343192;MM343192;CC#Cc1cnc(N)nc1;CBCUDHBUYZGVEZ-UHFFFAOYSA-N;133.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343193;MM343193;Nn1nc(O)n(N)c1=O;YMKQKJRVVQJCRX-UHFFFAOYSA-N;131.1;-2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343194;MM343194;COc1nc(NC=N)no1;VUKDQWRSCZAHBL-UHFFFAOYSA-N;142.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343195;MM343195;C=CC(=NN)ONC(C)=O;XNHSLWXDMLQREO-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343196;MM343196;C=CC(=C)CC1(C=C)CO1;SKPGYYWUXUILQQ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343197;MM343197;C=CC(=NO)ONC(C)=O;MSNGUGGUGDQIFU-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343198;MM343198;C=CC1(CC(=C)C=O)CO1;XKOLLOGWCMFYDO-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343199;MM343199;C=CC(=NN)ONC(=N)N;HXURUQKANUFZFN-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343200;MM343200;C=CC1(CC(=C)C#N)CO1;DBDZOJKYOFJCAV-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343201;MM343201;C=CC(=NO)ONC(=N)N;VQCYCLBZSSGOAI-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343202;MM343202;C=CC(=C)CC1(C=O)CO1;VMFDTIWFFIYJEC-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343203;MM343203;C=CC1=NNC(C=O)C1C;JXLPYKDCVMHOKG-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343204;MM343204;C=CC(=C)CC1(C#N)CO1;FJJUGKIPWRQJDT-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343205;MM343205;C=CC(=NO)ONC(N)=O;JBYXIAOHUVLDTR-UHFFFAOYSA-N;145.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343206;MM343206;C=C(C=O)CC1(C=O)CO1;OODMJOCIUCGAHL-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343207;MM343207;C#CC(=CC)CCC(=C)C;BBGVEABSGDXAGM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343208;MM343208;C=C(C=O)CC1(C#N)CO1;XDPQBVMEWKQYMN-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343209;MM343209;C#CC(=CF)CCC(=C)C;MOWULDZJPHXIJM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343210;MM343210;C=C(C#N)CC1(C=O)CO1;BSCMCWKXJGDFIE-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343211;MM343211;C#CC(=CC)CCC(C)=O;AXIQMCWITLPHNE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343212;MM343212;C=C(C#N)CC1(C#N)CO1;MKGSUNVBTVBKAS-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343213;MM343213;C#CC(=CF)CCC(C)=O;BHGJFXMJJNEWRH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343214;MM343214;C=CC(=O)CC1(C=C)CO1;MNEFCOTYXNVQTE-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343215;MM343215;C#CC(=CC)CCC(=N)N;PRBRHARYTRCMFS-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343216;MM343216;C=CC1(CC(=O)C=O)CO1;JZYKBDDYVPQHFB-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343217;MM343217;C#CC(=CF)CCC(=N)N;ZYZUFPOTGXMAPB-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343218;MM343218;C=CC1(CC(=O)C#N)CO1;OTDXPHUXTUQICK-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343219;MM343219;CNN=COCCCC=O;MIXWXHOUNIHAHH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343220;MM343220;C=CC(=O)CC1(C=O)CO1;PUPLGWMXFMIHLE-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343221;MM343221;C#CC(=CF)CCC(=O)O;KQDFSFXYCPZVHG-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343222;MM343222;C=CC(=O)CC1(C#N)CO1;JKZNNQBVXBIZEV-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343223;MM343223;C#CC(=CC)CCC(=C)F;CNBXQZKHLPRSPE-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343224;MM343224;O=CC(=O)CC1(C=O)CO1;GSSYFWMQSKEGJH-UHFFFAOYSA-N;142.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343225;MM343225;C#CC(=CF)CCC(=C)F;RXQPQQLGZOEBTL-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343226;MM343226;N#CC(=O)CC1(C=O)CO1;WOVOBEUGCYCOFN-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343227;MM343227;C#CC(CCC(=N)N)=NO;YLQZLYICWRLUIS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343228;MM343228;N#CC1(CC(=O)C=O)CO1;MLANDZUJVYMBKJ-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343229;MM343229;C#CC(CCC(=C)F)=NN;AXBVUBCDEWUBCI-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343230;MM343230;N#CC(=O)CC1(C#N)CO1;BOAGRFPYUBZSAM-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343231;MM343231;C#CC(CCC(=C)F)=NO;POBOLYVDDXEYDY-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343232;MM343232;C#CC(=C)CC1(C=C)CC1;MJTZARKIPLCEHS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343233;MM343233;C#CC(=CC)CNC(C)=N;RDJBMOMDDGOVIX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343234;MM343234;C#CC(=C)CC1(C=O)CC1;LETYECBDMZUQRT-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343235;MM343235;C#CC(=C)CC1(C#N)CC1;XKIHSOQWZYHABQ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343236;MM343236;C#CC(=CF)CNC(C)=O;BFYJMTBTLQZAIL-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343237;MM343237;C#CC(=CC)CNC(=N)N;XDEFDRFEHQTNAH-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343238;MM343238;C#CC(=O)CC1(C=C)CC1;AAPDISPYXLUAKY-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343239;MM343239;C#CC(=CF)CNC(=N)N;GRWVGOVHZTUMMF-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343240;MM343240;C#CC(=O)CC1(C=O)CC1;QRNRQRBETRHWIL-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343241;MM343241;C#CC(=CF)CNC(N)=O;YNAGVKWSQOIIRR-UHFFFAOYSA-N;142.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343242;MM343242;C#CC(=O)CC1(C#N)CC1;TYTNENVBNJVYNR-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343243;MM343243;C#CC(CNC(=N)N)=NN;TWDCJKUELSOGKQ-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343244;MM343244;C#CC(=N)NC1(C=C)CC1;OLNHDTZOOZYMDD-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343245;MM343245;C#CC(CNC(=N)N)=NO;WJKWSDLFBPKNGP-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343246;MM343246;C#CC(=N)NC1(C=O)CC1;WZEZNRJPAGAXBV-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343247;MM343247;O=CCC#CC#CC1CN1;DKIZRAQYTIROTA-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343248;MM343248;C#CC(=O)NC1(C=C)CC1;XGSRBOAMYHWWLH-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343249;MM343249;C#CC(CNC(N)=O)=NO;DKHLJFFQAFMNBP-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343250;MM343250;C#CC(=O)NC1(C=O)CC1;PZBGSQFTZUTBAD-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343251;MM343251;C#CC(=CC)COC(=C)C;LECLSPNOIDWXFL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343252;MM343252;C#CC(=O)NC1(C#N)CC1;BMWMLSLMDBPDRQ-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343253;MM343253;C#CC(=CF)COC(=C)C;BENVJUVEXRDHDN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343254;MM343254;C#CC(=C)OC1(C=C)CC1;HMPMAKIIULZDDG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343255;MM343255;C#CC(=CC)COC(C)=O;QUFRTKIBRKCORL-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343256;MM343256;C#CC(=C)OC1(C=O)CC1;IYBITCCJVIFAMR-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343257;MM343257;C#CC(=CF)COC(C)=O;LURAIUVZUOJGDY-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343258;MM343258;C#CC(=C)OC1(C#N)CC1;BQSPKPXUAHUORQ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343259;MM343259;C#CC(=CC)COC(N)=O;PEZMTHUYBOYNGC-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343260;MM343260;C#CC(=O)OC1(C=C)CC1;DJEFLRDHMMEOFS-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343261;MM343261;C#CC(=CF)COC(N)=O;ODNVGCCDUZQAJS-UHFFFAOYSA-N;143.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343262;MM343262;C#CC(=O)OC1(C=O)CC1;MODSNKRSHXGTRJ-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343263;MM343263;C#CC(COC(=C)C)=NN;ZORNVVUVRJASIV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343264;MM343264;C#CC(=O)OC1(C#N)CC1;QYDSFUHYMIKORF-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343265;MM343265;C#CC(=C)CC1(C=O)CN1;DEWJCLIBGHRTHZ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343266;MM343266;C#CC(COC(=N)N)=NN;PVBGYFBTJQYVEZ-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343267;MM343267;C#CC(=C)CC1(C#N)CN1;FJYIKYMCWWNLDH-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343268;MM343268;C#CC(=NC)NCC(=C)C;NQNVZKWTUBESDX-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343269;MM343269;C#CC(=CC)C1CC(O)C1;LIUJJSNJOFBAEM-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343270;MM343270;C#CC(=NN)NCC(=N)N;WODWADRCQPOGFC-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343271;MM343271;C=CC(CC)C1CC1CO;IEHLJIXDPYUDJS-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343272;MM343272;C#CC(=NCC(=N)N)NO;KYRSMGISBUCNLP-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343273;MM343273;C#CC(=C)CC1(C=C)CO1;ABXXJKXEVFPRJC-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343274;MM343274;C#CC1C(O)C1CC#CC;LEHGPNNTBWIZTM-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343275;MM343275;C#CC(=C)CC1(C=O)CO1;STRWUTQQNTVHDZ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343276;MM343276;O=CC1CCC2(CF)NC12;NJGMCNARQVHZKR-UHFFFAOYSA-N;143.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343277;MM343277;C#CC(=C)CC1(C#N)CO1;LQIWNJXUSUYHND-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343278;MM343278;CN=c1[nH]c(F)c(O)o1;IEWOKGHZLIZNQG-UHFFFAOYSA-N;132.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343279;MM343279;C#CC(=O)CC1(C=C)CO1;NEPGHUDRXXKMFQ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343280;MM343280;CN(C=O)CC=O;YSSPUGKTSGKUNC-UHFFFAOYSA-N;101.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343281;MM343281;C#CC(=O)CC1(C=O)CO1;MMZQRQLEMKXDHA-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343282;MM343282;C#CC(=NO)NCC(=C)F;KPCWPYJYOIGDEX-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343283;MM343283;C#CC(=NNC(C)=O)NO;NQVXZGXXSKIESL-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343284;MM343284;C#CC(=O)CC1(C#N)CO1;XSIPFYNBTONYOP-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343285;MM343285;CC(C)C(C)CCO;SVJNECJVNWTYQG-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343286;MM343286;C#CC1(CC(=C)CC)CC1;CXAFJQNMPSDJCR-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343287;MM343287;C#CC(=CC)OCC(=C)C;HXMBPFOACDXVEN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343288;MM343288;C#CC1(CC(=C)CN)CC1;BTUKXFQCSGHGSQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343289;MM343289;C#CC(=CF)OCC(=C)C;AHUUCWYGUHKCGS-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343290;MM343290;C#CC1(CC(=C)CO)CC1;BBMZISVWLFFBNT-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343291;MM343291;C#CC(=CF)OCC(C)=O;RTFWHVSQAVNDIP-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343292;MM343292;C#CC1(CC(=C)CF)CC1;DNYBNVDOXODAHS-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343293;MM343293;C#CC(=CC)OCC(=N)N;KAVLWWRILSPVPE-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343294;MM343294;C#CC1(CC(=O)CC)CC1;YXEITPRQLYQPAB-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343295;MM343295;C#CC(=CC)OCC(N)=O;RBZQZYJSPSFDNN-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343296;MM343296;C#CC1(CC(=O)CO)CC1;KVQMTBVIHJHTNF-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343297;MM343297;C#CC(=CC)OCC(=C)F;FLCGJXPPMBQHPS-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343298;MM343298;C#CC1(CC(=O)CF)CC1;DVRDEZSJDAJXHZ-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343299;MM343299;C#CC(=CF)OCC(=C)F;NUEYOLZBPWVPRB-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343300;MM343300;C#CC1(CC(=N)NC)CC1;XFIZDLNXAWSIRV-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343301;MM343301;C#CC1(CC(=N)NN)CC1;NBYQTSFKAVQBCF-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343302;MM343302;C=C(C)C(=C)CCO;GMKCZIDVGZGWIM-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343303;MM343303;C#CC1(CC(=N)NO)CC1;UMCDYVZGYLYITH-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343304;MM343304;C#CC(=NN)OCC(=N)N;STUZNCLJZDARHP-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343305;MM343305;C#CC1(CC(=O)NC)CC1;VRMDWEDDVJVQMR-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343306;MM343306;C#CC(=NO)OCC(=N)N;ZEVRSOPZYCWGSN-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343307;MM343307;C=CC(CO)C1CC1CO;HIDRLWRWAFXACT-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343308;MM343308;CCC(CC)CCO;DVEFUHVVWJONKR-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343309;MM343309;C#CC1(CC(=O)NO)CC1;HCHWSQXZPMJHPU-UHFFFAOYSA-N;139.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343310;MM343310;C#CC(=NO)OCC(N)=O;SWCUMTFXFIQKFW-UHFFFAOYSA-N;142.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343311;MM343311;C#CC1(CC(=C)OC)CC1;FVZWTFQESJSMLV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343312;MM343312;C=CC(=CC)CCO;ZLEILAXZIQLASE-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343313;MM343313;C#CC1(CC(=O)OC)CC1;WSGZLFLQDNVHHV-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343314;MM343314;C#CC(=NO)OCC(=C)F;HEYBJHZHRLKVLV-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343315;MM343315;C#CC1(NC(=N)CC)CC1;VWQLGTQADPXRIM-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343316;MM343316;CCC(C=CC(C)C)CC;SVPYDYSRIGKNSQ-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343317;MM343317;C#CC1(NC(=N)CN)CC1;BNESYBHLOHUOQB-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343318;MM343318;CCC(C=CC(C)C)CN;QXQCVYGUIPHKEY-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343319;MM343319;C#CC1(NC(=N)CO)CC1;VFOXBMJEUHHIFI-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343320;MM343320;C=CC=CC1CC1O;OGPXVUMYMGHRNP-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343321;MM343321;C#CC1(NC(=O)CC)CC1;XEJZUSJJFHLQHH-UHFFFAOYSA-N;137.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343322;MM343322;CCC(C=CC(C)C)CF;GOQFRHGXQYKGCS-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343323;MM343323;C#CC1(NC(=N)NC)CC1;RLLOEYJQOPPRRN-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343324;MM343324;CC(C)C=CC(CN)CF;JJTFLALJKQZEJX-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343325;MM343325;C#CC1(NC(=O)NC)CC1;BBBJVLFXSMWHJU-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343326;MM343326;CC(C)C=CC(CO)CO;WTGHMMCCVVEKNV-UHFFFAOYSA-N;144.21;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343327;MM343327;C#CC1(NC(=O)OC)CC1;VHYQJBMKRXECDP-UHFFFAOYSA-N;139.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343328;MM343328;CCC(C=CC(C)N)CC;DGFWJQGPLHIOFP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343329;MM343329;C#CC1(OC(=C)CC)CC1;MPKFDPZTQUEVCY-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343330;MM343330;CCC(C=CC(C)N)CN;WDKVCHDNNVVOMC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343331;MM343331;C#CC1(OC(=C)CN)CC1;DVRQWELXIFEDST-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343332;MM343332;CC(N)C=CC(CN)CF;RBRSBKXWVIIMKV-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343333;MM343333;C#CC1(OC(=O)CC)CC1;RTTXXBADBPFBHI-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343334;MM343334;CC(N)C=CC(CO)CO;QJRVPUUCTIEUST-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343335;MM343335;C#CC1(OC(=O)CO)CC1;QXTLWOQPBRFKQG-UHFFFAOYSA-N;140.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343336;MM343336;CC(N)C=CC(CF)CF;DORLFFXEKONFAY-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343337;MM343337;C#CC1(OC(=O)CF)CC1;FBGFZADYSIFVDI-UHFFFAOYSA-N;142.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343338;MM343338;O=CC=CC1CC1O;YMWHHXBIYBGUKO-UHFFFAOYSA-N;112.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343339;MM343339;C#CC1(OC(=N)NC)CC1;NDIYGEOFSLVPRK-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343340;MM343340;CCC(C=CC(C)O)CN;SGBDBDMJNUNBPD-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343341;MM343341;C#CC1(OC(=O)NC)CC1;SFGFOOKMMMWVEN-UHFFFAOYSA-N;139.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343342;MM343342;CC(CCO)C1CC1;VFSGVPVRMCRJDV-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343343;MM343343;C=CC(CF)C1CC1CO;FVGFQFNLAGYWMA-UHFFFAOYSA-N;144.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343344;MM343344;CC(O)C=CC(CN)CN;JZSAFFJJHWIWPO-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343345;MM343345;C#CC1(OC(=O)NO)CC1;FBFKBAQKDDRDCP-UHFFFAOYSA-N;141.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343346;MM343346;CCC(C=CC(C)F)CC;LLQMCVIJTNFGJA-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343347;MM343347;C#CC1(OC(=O)OC)CC1;NKXUEDXEGDFFIY-UHFFFAOYSA-N;140.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343348;MM343348;CCC(C=CC(C)F)CN;XCEHOEHIXBMFPM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343349;MM343349;C#CC1(CC(=C)CC)CN1;DNUQXBFHPWRHGV-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343350;MM343350;CC(CCO)C(C)(C)C;FQNYRSRCONKFCN-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343351;MM343351;C#CC1(CC(=C)CN)CN1;BVSQSWPXNCATFZ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343352;MM343352;CC(F)C=CC(CF)CF;YYMGRESWYNAHNJ-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343353;MM343353;C#CC(C=O)C1CC1CO;LINSDPOLDXMSAL-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343354;MM343354;NCC(C=CC(F)F)CN;WGRZFBRGRLLMHE-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343355;MM343355;C#CC1(CC(=C)CF)CN1;YQOLJEWGQPHHGU-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343356;MM343356;NCC(C=CC(F)F)CF;OMIOMPQHDLSXLL-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343357;MM343357;C#CC(C#N)N1CC1C=C;LXSXMXGPLPXVNC-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343358;MM343358;CCC(C=CC(C)C)NC;ZSNHFMGYCWAYOM-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343359;MM343359;CC=NNC=NN=COC;HPLBVHBSGPIHIL-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343360;MM343360;CCC(C=CC(C)N)NC;JNDJZWSEMNEDDH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343361;MM343361;CN1C(C=O)C1CCC=O;QYKWSOKFYQXSEY-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343362;MM343362;CNC(C=CC(C)N)CN;PLONDLXBIGMDFO-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343363;MM343363;C#CC1(CC(=N)NC)CN1;XMNYGVWVGWUWOP-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343364;MM343364;CNC(C=CC(C)N)CO;GSRWILNFZYPUAO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343365;MM343365;C#CC1(CC(=N)NN)CN1;USHIYPFJFFFDBH-UHFFFAOYSA-N;138.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343366;MM343366;CCC(C=CC(C)O)NC;UNDFGYZQGPAGHW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343367;MM343367;C#CC1(CC(=N)NO)CN1;AGNKQHGTXYARNB-UHFFFAOYSA-N;139.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343368;MM343368;CCC(C=CC(C)F)NC;DRVWGECDKLHCIG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343369;MM343369;OC1C=CCC1;PSBABBDEUFNFKJ-UHFFFAOYSA-N;84.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343370;MM343370;CNC(C=CC(F)F)CN;OJPPVYNIBBKJPU-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343371;MM343371;C#CC(=C)C(O)CC;QXOQIIIAVVZSBS-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343372;MM343372;CCC(C=CC(C)C)OC;NPDYLMBRHQGOHC-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343373;MM343373;C#CC1(CC(=O)NO)CN1;LGBSUHRBAOIWKF-UHFFFAOYSA-N;140.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343374;MM343374;COC(C=CC(C)C)CO;PTDGWXFIVBEKOH-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343375;MM343375;C#CC1(CC(=C)OC)CN1;VOLZHAIQMIWDDM-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343376;MM343376;COC(C=CC(C)O)CN;FHAONMZNOWUUPX-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343377;MM343377;C#CC1(CC(=O)OC)CN1;MVFLAIJWRXXEGF-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343378;MM343378;COC(C=CC(C)F)CN;JGOUNSQHMPWYTI-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343379;MM343379;C#CC1(CC(=C)CC)CO1;JHPRMVPWZWDAJS-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343380;MM343380;COC(C=CC(F)F)CO;GLUHZDJCYSSABC-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343381;MM343381;C#CC1(CC(=C)CN)CO1;WLWHEBKUKUMEGY-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343382;MM343382;COC(C=CC(C)C)OC;CKXJSUUSVCBZBS-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343383;MM343383;C#CC1(CC(=C)CO)CO1;VLKSXGNUCRQALO-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343384;MM343384;COC(C=CC(C)F)OC;LXOUSNKGLBJNFQ-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343385;MM343385;C#CC1(CC(=C)CF)CO1;SSBZEHSJORNPNA-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343386;MM343386;CCC(C=NN(C)C)CC;YRMMMXXBTTVNLR-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343387;MM343387;C#CC1(CC(=O)CC)CO1;NKXXAAJDZXCEEO-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343388;MM343388;CCC(C=NN(C)C)CF;JLBSOPMRYCLLDY-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343389;MM343389;C#CC1(CC(=O)CF)CO1;YLLIGWVAQAFBCT-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343390;MM343390;CN(C)N=CC(CN)CN;HNJSWIHRIBFPOT-UHFFFAOYSA-N;144.22;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343391;MM343391;CN(C)N=CC(CN)CO;ZWFQGRJQVLVXNY-UHFFFAOYSA-N;145.21;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343392;MM343392;C#CC1(CC(=N)NC)CO1;HZNUWFNJQXTHJB-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343393;MM343393;CN(C)N=CC(CN)CF;XDUMCWCEZCPMSX-UHFFFAOYSA-N;147.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343394;MM343394;C#CC1(CC(=N)NN)CO1;PNUSQQCNNDLNTE-UHFFFAOYSA-N;139.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343395;MM343395;CC(C=O)N=C(N)C#N;WQKZWXNBNIRBMI-UHFFFAOYSA-N;125.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343396;MM343396;C#CC1(CC(=N)NO)CO1;NOZCBSHNPSVAOY-UHFFFAOYSA-N;140.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343397;MM343397;CNC(C=NN(C)C)CN;DVQBJRQPYKDMRM-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343398;MM343398;C#CC1(CC(=O)NC)CO1;CIVNWRIBJHJDLL-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343399;MM343399;COC(C=NN(C)C)CN;MTWFJKBSTWKNIW-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343400;MM343400;OCCC1CC=CC1;KQCOVWFRRKDYPU-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343401;MM343401;C=C(CO)C1(C)CC1C;LPQIQJCZGXAYBV-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343402;MM343402;C#CC1(CC(=O)NO)CO1;VHVFBQYYKZPYET-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343403;MM343403;CCC(CO)N=CN(C)C;KRNBXNPNZKGABZ-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343404;MM343404;C#CC1(CC(=C)OC)CO1;FRJYFMXUMOWNEV-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343405;MM343405;CN(C)C=NC(CN)CF;FJEGSTSIPMUNMR-UHFFFAOYSA-N;147.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343406;MM343406;C#CC1(CC(=O)OC)CO1;MVQLIUCFNOHZAC-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343407;MM343407;CCN(C=NC(C)C)CC;RYBRPENRGRPMGP-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343408;MM343408;C#CC1(CC(=C)C=C)CC1;LGQOKTGQAUNSHW-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343409;MM343409;CCN(C=NC(C)C)NC;GXPILPBZBDJRGD-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343410;MM343410;C#CC1(CC(=C)C=O)CC1;XEEMHZPKHGYEOT-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343411;MM343411;CCN(CC)N=CC(C)C;KDMGAIKQJYFJMZ-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343412;MM343412;C#CC1(CC(=C)C#N)CC1;AMAHPSDFXZHFBL-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343413;MM343413;CN(C=O)C=NCC=O;DUWQFVZXQZUKPN-UHFFFAOYSA-N;128.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343414;MM343414;C#CC1(CC(=O)C=C)CC1;UULRCCKAZXJTPG-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343415;MM343415;CCN(C=NN(C)C)CC;ZPYHYWUJYWUNNT-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343416;MM343416;C#CC1(CC(=O)C=O)CC1;ZANGJKHSJYNBPA-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343417;MM343417;CCN(C=NN(C)C)OC;BHGVOKQAFPGUPN-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343418;MM343418;C#CC1(CC(=O)C#N)CC1;JUEYYNJNBPPEJY-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343419;MM343419;CCN(CC)N=CN(C)C;UKRZVNUXYVGVGZ-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343420;MM343420;C#CC1(NC(=N)C=C)CC1;DKZUIZBEGSXUKT-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343421;MM343421;C=CC(C=CC(C)C)CC;QRFFRLBODYMCCO-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343422;MM343422;CC1CC1C1CC1O;CTCPLOOHAGIGHS-UHFFFAOYSA-N;112.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343423;MM343423;CCC(C=O)C=CC(C)C;CXRXXYFXDGTJAF-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343424;MM343424;C#CC1(NC(=O)C=C)CC1;DMKRJWJQHUIYEF-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343425;MM343425;CCC(C#N)C=CC(C)C;DUEMVQXZRDGMKR-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343426;MM343426;C#CC1(NC(=O)C=O)CC1;ISDLLDAQMCBARB-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343427;MM343427;C=CC(C=CC(C)C)CN;SDVCXGCLLZWVEK-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343428;MM343428;C#CC1(NC(=O)C#N)CC1;IKOUXTFGLVERRX-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343429;MM343429;CCC(C)C(C)CCO;QVFKMROLPSPCIX-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343430;MM343430;C#CC1(OC(=C)C=C)CC1;OZVXEHINBAHWGW-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343431;MM343431;CC(C)C=CC(C#N)CO;MPGQSNDUKSTQKM-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343432;MM343432;C#CC1(OC(=C)C#N)CC1;SYPGAXCFYBPRGO-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343433;MM343433;C=CC(C=CC(C)C)CF;RHHPQAIHZLLFHA-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343434;MM343434;C#CC1(OC(=O)C=C)CC1;UQIMMZMXLOSULK-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343435;MM343435;CC(C)C=CC(C=O)CF;ORFJMWMDNSJSAO-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343436;MM343436;C#CC1(OC(=O)C=O)CC1;UOZDCCGNPZOZDF-UHFFFAOYSA-N;138.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343437;MM343437;CC(C)C=CC(C#N)CF;UPAONKUSJJIFSF-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343438;MM343438;C#CC1(OC(=O)C#N)CC1;BVAJJTFWPAZUHU-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343439;MM343439;C=CC(C=CC(C)N)CC;LFRZGGZKOJOENL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343440;MM343440;C#CC1(CC(=C)C=C)CN1;SBUOKFQPKFTTTJ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343441;MM343441;C=CC(C=CC(C)N)CF;VSBOZOWXTROUIQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343442;MM343442;C#CC1(CC(=C)C=O)CN1;VKZCAXMMGKIGTI-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343443;MM343443;CC(CF)C(C)CCO;DIRTZZPBRONODG-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343444;MM343444;C#CC1(CC(=C)C#N)CN1;MOVNJAHWZJAMHX-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343445;MM343445;CCC(C#N)C=CC(C)O;DMPHJAAKLZZEFD-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343446;MM343446;CC#CC=C(C)C(C)O;STDCJGCXSYZHAT-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343447;MM343447;C=C(CF)C(=C)CCO;FNUCWWOEXJMQEW-UHFFFAOYSA-N;130.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343448;MM343448;C=CC(O)C(=C)C=CC;JNDZTIBMOOERDJ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343449;MM343449;CC(O)C=CC(C#N)CO;QHMIREAOYGBALA-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343450;MM343450;CC#CC(C#N)N(C)C;FRFUECOWHTYOGN-UHFFFAOYSA-N;122.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343451;MM343451;C=C(CCO)C(C)=CF;XJBUHGGIAJLGLE-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343452;MM343452;C#CC1(CC(=C)C=C)CO1;FIKBSXCGFDIRGH-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343453;MM343453;C=CC(C=CC(C)F)CC;HCKLEAQKDXOIPX-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343454;MM343454;C#CC1(CC(=C)C=O)CO1;YQKKHVSBNWOLKM-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343455;MM343455;CCC(C=O)C=CC(C)F;DECRFAAPIPHCCF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343456;MM343456;C#CC1(CC(=C)C#N)CO1;GCLPAARFMGKBCY-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343457;MM343457;C=CC(C=CC(C)F)CN;HOVZJQFVPKGCHD-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343458;MM343458;C#CC1(CC(=O)C=C)CO1;XDQPSJCSECWZHO-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343459;MM343459;CC(CCO)C1(C)CC1;QXRGNZFYPVJUTB-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343460;MM343460;C#CC1(CC(=O)C=O)CO1;OTNNISGJTVOHRG-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343461;MM343461;C=CC(C=CC(C)F)CF;RJARAYZKBVBUBU-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343462;MM343462;C#CC1(CC(=O)C#N)CO1;WYMQGCSEOMBCBA-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343463;MM343463;CC(F)C=CC(C#N)CF;DMUVAUUJSUOEOX-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343464;MM343464;C#CC(=C)CC1(C#C)CC1;DUJARADCBJHKKM-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343465;MM343465;C=CC(C=CC(F)F)CC;UINBORYTKGTRNP-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343466;MM343466;C#CC(=O)CC1(C#C)CC1;HRYVEIYYWRKDJX-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343467;MM343467;CCC(C=O)C=CC(F)F;GALCKQDLPGMNJJ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343468;MM343468;C#CC(=O)NC1(C#C)CC1;UZPHACLABNRDLA-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343469;MM343469;C=CC(C=CC(F)F)CN;DQIBSDKWCCPMNK-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343470;MM343470;C#CC(=C)OC1(C#C)CC1;MRYBNEBPICWJLN-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343471;MM343471;C=CC(C=CC(C)C)NC;QULDGVVRLFDVLV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343472;MM343472;C#CC(=O)OC1(C#C)CC1;DFWKALXMODSTAJ-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343473;MM343473;CNC(C#N)C=CC(C)C;GBIPXKKVHRPAHO-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343474;MM343474;C#CC(=C)CC1(C#C)CN1;LRLDIVJSCGFJDO-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343475;MM343475;CCNc1cnn(C)n1;FQESBKYKHMMCTH-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343476;MM343476;CCC1CC1C1CC1O;BJPKIXCXJVLJOK-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343477;MM343477;C=CC(C=CC(C)F)NC;RYFGJLBUQUNFFK-UHFFFAOYSA-N;143.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343478;MM343478;C#CC(=C)CC1(C#C)CO1;DAZNQOUXSSHLOF-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343479;MM343479;C=CC(C=CC(F)F)NC;DDDAKYHRRYWVTA-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343480;MM343480;C#CC(=O)CC1(C#C)CO1;LNRATXHUYGFJDZ-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343481;MM343481;CCC1(CCC(C)C)CC1;RZHZXRFXVNEYMP-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343482;MM343482;C=CC(C=CC(C)C)OC;SSSKWTMCSBDRCA-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343483;MM343483;COC(C=O)C=CC(C)C;UXIXQCWWNFLUOB-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343484;MM343484;CC(C)CCC1(CN)CC1;DADKZJOCVQNCMM-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343485;MM343485;C=CC(C=CC(C)N)OC;ZDWMQVQAWWFGSX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343486;MM343486;CC(O)CCC(C)(C)C#N;CSUQZEUTZIQJAC-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343487;MM343487;C=CC(C=CC(C)O)OC;XYTJOWSPZIFLDI-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343488;MM343488;CC(C)CCC1(CF)CC1;YFYHSLFPPGQALE-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343489;MM343489;C=CC(C=NN(C)C)CC;VNKHMOSLUSUXHG-UHFFFAOYSA-N;140.23;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343490;MM343490;CCC1(CCC(C)N)CC1;JJAXSHRWJGSRIO-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343491;MM343491;N=C1NC=C(N=O)C1=O;VGIVGHDDWILGSM-UHFFFAOYSA-N;125.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343492;MM343492;CC(N)CCC1(CN)CC1;BTTMOZPPOCCLII-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343493;MM343493;CCC(C#N)C=NN(C)C;IYTMTADHKXRDSV-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343494;MM343494;CC(N)CCC1(CO)CC1;DWNUBUFJABHFPD-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343495;MM343495;CC(N)CCC1(CF)CC1;ZRAKREVCWHNAGP-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343496;MM343496;CC=CC=CC1CC1O;PNEYZDVZUDSMQJ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343497;MM343497;CC(CCO)C1CC1O;MTSZWYOVORJVAP-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343498;MM343498;C=C(C#CCF)C(C)(C)O;IQRNQBZQPLVARY-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343499;MM343499;CC(=CC(C)O)C(C)(C)C;DQSGBDZFTHCFLX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343500;MM343500;CC(O)CCC1(CN)CC1;BPJPMBOUFUVMFM-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343501;MM343501;CNC(C#N)C=NN(C)C;KJMAFYNXSMOOQH-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343502;MM343502;CC(C)(C#CCC=O)CO;PLPHHLYWSWCRLF-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343503;MM343503;C=C(C)C(O)C=CC(C)C;ADDRRJXXAPDSJE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343504;MM343504;C=CC(C=NN(C)C)OC;HBLKPAIZOXSDTF-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343505;MM343505;CCC(C)(C)C(C)C(N)=O;DHMJDHYLLFRFRE-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343506;MM343506;CCC1(CCC(C)F)CC1;PAFYKVFROAAATR-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343507;MM343507;COC(C#N)C=NN(C)C;XEPGYCFKLKIDQZ-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343508;MM343508;CC(F)CCC1(CN)CC1;SFGGMKXPHZFJGP-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343509;MM343509;C=CC(CN)N=CN(C)C;RAPBLWDZSVPFEP-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343510;MM343510;CC(F)CCC1(CF)CC1;YLDCWQHDBQKHAU-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343511;MM343511;CN(C)C=NC(C=O)CO;QMZBQQROKJYIRX-UHFFFAOYSA-N;144.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343512;MM343512;NCC1(CCC(F)F)CC1;PGGPVJPEKWGCFI-UHFFFAOYSA-N;149.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343513;MM343513;CC(CCO)C(C)(C)CF;WUYFAEGPXXQRCU-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343514;MM343514;CCC1(CNC(C)C)CC1;SQIJDRDWUAEVQF-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343515;MM343515;C#CC(C)(C#CC)CCO;XLOIGIWJTNJGGP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343516;MM343516;CC(C)NCC1(CN)CC1;IHZATAXWMGQCOZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343517;MM343517;CC(C)C(C)C(C)C(N)=O;OELCANXEQHTGOX-UHFFFAOYSA-N;143.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343518;MM343518;CC(C)NCC1(CO)CC1;BTKNVRBVYVPJSC-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343519;MM343519;CC(C)NCC1(CF)CC1;JEQPSOFIRJMOGB-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343520;MM343520;CCN(C=N)C=CC(C)C;SSADSPQNLHSGCK-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343521;MM343521;CCC1(COC(C)C)CC1;NJTWDGIRFFNFEG-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343522;MM343522;CCN(C=O)C=CC(C)C;VACROXXXAXBCPD-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343523;MM343523;CC(C)OCC1(CN)CC1;VNHCOWMBPAVLGB-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343524;MM343524;CCN(C=O)C=CC(C)F;NSNGKNLYDJPCNR-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343525;MM343525;CC(C)OCC1(CF)CC1;UWFXUCMYCGXRDV-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343526;MM343526;CNN(C=N)C=CC(C)N;BAWAWWSJMJOGPQ-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343527;MM343527;CNN(C=O)C=CC(C)N;HZXFEPXQEKBFGL-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343528;MM343528;CNC1(CCC(C)C)CC1;RRHIEPBCXZCAJW-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343529;MM343529;CNC1(CCC(C)N)CC1;ODLUVNVTJYVYIJ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343530;MM343530;CNN(C=N)C=CC(C)O;JOQDTZGIZGEKLA-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343531;MM343531;CNC1(CCC(C)O)CC1;HEROOXWJCSXEDM-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343532;MM343532;CCC(CC(C)C)C(N)=O;YYLFIQFIGHGNFN-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343533;MM343533;CNC1(CCC(C)F)CC1;QAFFEOSFCWJNAK-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343534;MM343534;CNN(C=N)C=CC(C)F;SIXJFXLGEAAHQE-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343535;MM343535;CNC1(CNC(C)C)CC1;YKJUPUWEFIYTSZ-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343536;MM343536;CNN(C=O)C=CC(C)F;SGJOZDISSFEFGQ-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343537;MM343537;CON(C=O)C=CC(C)C;UOWFKQFKUHIHPI-UHFFFAOYSA-N;143.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343538;MM343538;CNC1(COC(C)C)CC1;OXZAPVHEIVBJHQ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343539;MM343539;COC1(CCC(C)C)CC1;SJSNHUBQFSTCTF-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343540;MM343540;CCN(C=N)C=NC(C)C;CDKNGWAOESOFEH-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343541;MM343541;COC1(CCC(C)N)CC1;QWWYJKNYNBBBPC-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343542;MM343542;CCN(C=O)C=NC(C)C;QEDAGHIRZOWZPZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343543;MM343543;COC1(CCC(C)O)CC1;BJXRCTWQMXUJEZ-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343544;MM343544;C=NN(C=NC(C)C)CC;BBCIBPYKZYPYOB-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343545;MM343545;COC1(CNC(C)C)CC1;SVJKVRVNWKKFNU-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343546;MM343546;CNN(C=O)C=NC(C)C;VQSSYTXQMRJSPJ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343547;MM343547;CON(C=O)C=NC(C)C;VJRUIUVLLAKNSK-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343548;MM343548;COC1(COC(C)C)CC1;UBNHLZQVNWAJBB-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343549;MM343549;CCC1(NCC(C)C)CC1;CCROMLPVSYBJDA-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343550;MM343550;CCN(C=N)N=CC(C)C;CMZCMMATSYNRII-UHFFFAOYSA-N;141.22;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343551;MM343551;CC(C)CNC1(CN)CC1;JDPXJXLIEFMWJW-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343552;MM343552;C#CC1(C#CC)CC(O)C1;IFTACADVZNUYPV-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343553;MM343553;CC(C)CNC1(CO)CC1;NSROBNHZGFXWBF-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343554;MM343554;C=C(CC=O)C(=C)CCO;WQFRYNDJQAQIJC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343555;MM343555;CC(C)CNC1(CF)CC1;FFIPCTPIFGWCDA-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343556;MM343556;CCN(C=O)N=CC(C)F;JJQIBOFKGGZKPJ-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343557;MM343557;CCC1(NCC(C)N)CC1;GPIYQMIKRCCPQD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343558;MM343558;CCN(C=N)C=NN(C)C;ZCEMVNBNHQYWEQ-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343559;MM343559;CC(N)CNC1(CN)CC1;SOGZGCLUCDSZHL-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343560;MM343560;CC#CC(C)C(C)CCO;RTDGBFDYUWIVDE-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343561;MM343561;CC(N)CNC1(CO)CC1;NSMYUKNPXSHTEO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343562;MM343562;C#CC(C=CC(C)C)CC;WCLBBQKEXZQCQI-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343563;MM343563;CC(N)CNC1(CF)CC1;DDFDFLFNOXZBET-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343564;MM343564;C#CC(C=CC(C)C)CF;ZAWJCZJCHJDKQK-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343565;MM343565;CCC1(NCC(C)O)CC1;IBQXCHISZTVTRV-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343566;MM343566;C#CC(C=CC(C)N)CC;UVDMZLHHBCUUPW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343567;MM343567;CC(O)CNC1(CN)CC1;OCNZVTRQFVPEKX-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343568;MM343568;C#CC(C=CC(C)N)CF;SIAUNVISWIBQNB-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343569;MM343569;CC(O)CNC1(CO)CC1;VCRLJPKRYSEAGM-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343570;MM343570;C#CC=C(C)C(=C)CCO;SCRKDHLSPZUQNY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343571;MM343571;CCC1(NCC(C)F)CC1;QOKDULMNOFVEQG-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343572;MM343572;CCC(CC)C(C)C(N)=O;FMZVUBQKRMSPGS-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343573;MM343573;CC(F)CNC1(CN)CC1;UDYCOTNDDRJOMF-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343574;MM343574;C#CC(C=CC(C)F)CC;IWDPBZSALQDISF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343575;MM343575;CCC1(OCC(C)C)CC1;DGUUIXDRLGGEJZ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343576;MM343576;C#CC(C=CC(C)F)CF;CDNANYQPGPWION-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343577;MM343577;CC(C)COC1(CN)CC1;LNSIEECWIVBBRR-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343578;MM343578;C#CC(C=CC(F)F)CN;ROLYCLVOHRBXEJ-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343579;MM343579;CC(C)COC1(CO)CC1;KJULQULODPAGLQ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343580;MM343580;C#CC(C=CC(C)C)NC;ABGJFRWBRSKEGL-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343581;MM343581;CC(C)COC1(CF)CC1;UXRAONRFFLJCOD-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343582;MM343582;C#CC(C=CC(C)F)NC;DULCNCUVKIWFLU-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343583;MM343583;CCC1(OCC(C)N)CC1;GIEILSBZVJSTND-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343584;MM343584;C#CC(C=CC(C)C)OC;XPFNQJHEXQHZLT-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343585;MM343585;CC(N)COC1(CN)CC1;AIQRVVZXVUILCN-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343586;MM343586;C#CC#CCC(=C)C(C)O;VMQHDNZUAGQVJM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343587;MM343587;CC(N)COC1(CO)CC1;HHVVRIMJKLGKNO-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343588;MM343588;C#CC(C=NN(C)C)CF;JRLBQXGECQFRBS-UHFFFAOYSA-N;142.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343589;MM343589;CC(N)COC1(CF)CC1;HFSLLOAEKVXZBI-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343590;MM343590;C#CC(CO)N=CN(C)C;LVOTUADFGUMAMP-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343591;MM343591;CCC1(OCC(C)O)CC1;RJKXOOHWNZEXAB-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343592;MM343592;C=CC(C=C)C=CC(C)C;NOBRPPDNAFCMLV-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343593;MM343593;CC(O)COC1(CN)CC1;DCALRXURSQUFJI-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343594;MM343594;C=CC(C=O)C=CC(C)C;NAWUSRNRVZQPKM-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343595;MM343595;CC(O)COC1(CO)CC1;YZHWJJMNGOKAIK-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343596;MM343596;C=CC(C#N)C=CC(C)C;WHLBJUGGXJNGSP-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343597;MM343597;CC(O)COC1(CF)CC1;NYPPSUYTRIIYMR-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343598;MM343598;CC(C)C=CC(C#N)C#N;OJDXQPWOICPZFA-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343599;MM343599;CCC1(OCC(C)F)CC1;UOUAMYJEQITRNW-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343600;MM343600;C=CC(C=C)C=CC(C)N;DEKUOFOWRHLZTQ-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343601;MM343601;CC(F)COC1(CN)CC1;WMBWXUIZZWBJIW-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343602;MM343602;CC=NN=CC(C)C(C)=O;HSKDWCDGNIKLSS-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343603;MM343603;CC(F)COC1(CO)CC1;ATVDKYCXSRGODB-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343604;MM343604;CCCC(C)C(C)C(N)=O;QRHGBXWTVIEMKQ-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343605;MM343605;COC1(OCC(C)C)CC1;OXMRLKARWAESLF-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343606;MM343606;C=CC(C#N)C=CC(C)O;RWKIIVCWWGUXQY-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343607;MM343607;COC1(OCC(C)N)CC1;KRIPLXFFVSJBCX-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343608;MM343608;C=CC(C=C)C=CC(C)F;DBECYULEZSPABE-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343609;MM343609;COC1(OCC(C)O)CC1;RWXCJOXEMHDZOG-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343610;MM343610;CC(F)C=CC(C#N)C#N;GIWXYANZDAAZKJ-UHFFFAOYSA-N;138.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343611;MM343611;COC1(OCC(C)F)CC1;UZGGTHKUQUIXIL-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343612;MM343612;N#CC(C=O)C=CC(F)F;MEXPMJWYJVCXCC-UHFFFAOYSA-N;145.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343613;MM343613;CCC1(CCN(C)C)CC1;LGGDHQJYXCBPAY-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343614;MM343614;C=C(CCO)C(=C)C(C)O;HHUFSAMYVZZRRH-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343615;MM343615;CN(C)CCC1(CN)CC1;QLSRDNRUGLBYPB-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343616;MM343616;C=CC(C#N)C=NN(C)C;WOPCROKSQMFLIW-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343617;MM343617;CN(C)CCC1(CO)CC1;FBSNCDMRWYIULI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343618;MM343618;C=CC(C=C)N=CN(C)C;QJZANBFRGJZDDD-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343619;MM343619;CN(C)CCC1(CF)CC1;KMHKKUBRWXDABT-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343620;MM343620;OCCC(CCF)CCF;ZLROUYOOIQAEKP-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343621;MM343621;CNC1(CCN(C)C)CC1;QIAHLNWLZHAMCS-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343622;MM343622;COC1(CCN(C)C)CC1;NRNVOAMFIHBZTO-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343623;MM343623;C=CN(C=N)C=CC(C)C;NDOUZSGUYBHQEW-UHFFFAOYSA-N;138.21;2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343624;MM343624;CC(C)CCC1(CN)CN1;HIAZPLJSPHRUEH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343625;MM343625;C=CN(C=O)C=CC(C)C;LDRHKTFBJLZBIM-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343626;MM343626;CC(C)CCC1(CF)CN1;OGFIOLQJIWYABI-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343627;MM343627;CC(C)C=CN(C=N)C=O;CUWZXLGHUGEPIM-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343628;MM343628;CCC1(CCC(C)N)CN1;ADZPKHIOVYPUCC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343629;MM343629;CC(C)C=CN(C=O)C=O;DCRLVKWFOKQVJY-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343630;MM343630;CC(N)CCC1(CN)CN1;AMFFOVJZWWNGRV-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343631;MM343631;C=CN(C=N)C=CC(C)N;MISDIJPPWVYMKQ-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343632;MM343632;CC(N)CCC1(CO)CN1;MTLQAGMLNSOYIN-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343633;MM343633;CC(N)C=CN(C=N)C=N;SPLGQGVIZRWGMU-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343634;MM343634;CC(N)CCC1(CF)CN1;KAHLGGPOWIQWQG-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343635;MM343635;CC(N)C=CN(C=N)C=O;SOTJKUPEXJZEPX-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343636;MM343636;CC(O)CCC1(CN)CN1;OBQNIYUYEWMSQT-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343637;MM343637;CC(N)C=CN(C=O)C=O;PERSAOARSCBWPH-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343638;MM343638;CC#CC(C)=CC(C)CO;NXMPDWVQUIFZKX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343639;MM343639;C=CN(C=O)C=CC(C)O;OKUJKDFHJCRQJP-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343640;MM343640;CCC1(CNC(C)C)CN1;ONVCRCPXJINCEN-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343641;MM343641;CC(O)C=CN(C=N)C=N;ZCPANTLFJOHONW-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343642;MM343642;CC(C)NCC1(CN)CN1;VZNAKCUZMYWTGH-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343643;MM343643;CCCC(C(N)=O)C(C)C;PLNIVBFEUDBHBP-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343644;MM343644;CC(C)NCC1(CO)CN1;AOLNKFSUTKKZRW-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343645;MM343645;CC(O)C=CN(C=O)C=O;OLACOTVZKFRHTJ-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343646;MM343646;CC(C)NCC1(CF)CN1;FIIVGIGSVZEJFA-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343647;MM343647;CCC(C)(C#CC=O)CO;SRHWSBDQZULEBT-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343648;MM343648;CC(C)OCC1(CN)CN1;FMGLWHJMGBMJLA-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343649;MM343649;C=NN(C=O)C=CC(C)F;STSZRCPLQRLHGB-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343650;MM343650;C=CC(O)C(C)=CC(C)C;IHSFAYNEUWLLRS-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343651;MM343651;C=CN(C=C)C=NC(C)C;VALKWVCGQLOBFW-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343652;MM343652;CC(C)OCC1(CF)CN1;GKCAKCWLQOVAEY-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343653;MM343653;C=CN(C=N)C=NC(C)C;RIDOXRXEABVXRL-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343654;MM343654;CCC1(CCN(C)C)CN1;CYESXLYIKOBFOP-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343655;MM343655;C=CN(C=O)C=NC(C)C;KRTVGDDEQYETNJ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343656;MM343656;CN(C)CCC1(CN)CN1;HEIKLNYTVXPXBH-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343657;MM343657;CC(C)N=CN(C=O)C=O;BLDNCFRQKOLNEA-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343658;MM343658;CN(C)CCC1(CO)CN1;KPWMFNDOKCRDND-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343659;MM343659;C=CN(C=NC(C)C)N=C;GSDRANGZOJWMSO-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343660;MM343660;CN(C)CCC1(CF)CN1;FZYMFTKCORHBLD-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343661;MM343661;C=NN(C=N)C=NC(C)C;MLDDZMRWUSIBMW-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343662;MM343662;CCC1(CCC(C)C)CO1;XLTXCBCECGSVDJ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343663;MM343663;C=NN(C=O)C=NC(C)C;NVMFNRXDCHOEPG-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343664;MM343664;CC(C)CCC1(CN)CO1;QRGJHUFDTMFXJU-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343665;MM343665;C=CN(C=N)N=CC(C)C;FJYNKQLCFBVPEY-UHFFFAOYSA-N;139.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343666;MM343666;CCC1(CCC(C)N)CO1;MFVSQRLWLDXLMI-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343667;MM343667;CC(N)C=NN(C=N)C=O;KIZSKURYTCPWJS-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343668;MM343668;CC(N)CCC1(CN)CO1;WILPEGJGLPTBBN-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343669;MM343669;CC(N)C=NN(C=O)C=O;ITOIJQCDBXCUCI-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343670;MM343670;CC(N)CCC1(CO)CO1;BTCIGHYWKKPCLV-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343671;MM343671;CC=C(CO)C1CC1(C)C;SGFBRYVAHIJCHX-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343672;MM343672;CCC1(CCC(C)O)CO1;ZZWFPALOKDKNIN-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343673;MM343673;CC(O)C=NN(C=N)C=O;BDJRXSOUHPCUEQ-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343674;MM343674;CC(O)CCC1(CN)CO1;JKWFFBRQMSFNDT-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343675;MM343675;CC(O)C=NN(C=O)C=O;FQGIRNGSZKCSHU-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343676;MM343676;CC(O)CCC1(CO)CO1;WXJRLJIEMYFDBO-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343677;MM343677;CC(F)C=NN(C=O)C=O;GVABXWSGONRGPS-UHFFFAOYSA-N;146.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343678;MM343678;CC(O)CCC1(CF)CO1;ZZVRJVCAJIWUBS-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343679;MM343679;CC1C(CO)=CCC1(C)C;TWVKGDKBPLDWGQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343680;MM343680;CCC1(CCC(C)F)CO1;UWDQHGGBRGQHPX-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343681;MM343681;CN(C)N=CN(C=N)C=N;JKMWOLQHTPUUOT-UHFFFAOYSA-N;141.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343682;MM343682;CC(F)CCC1(CO)CO1;OCCMNEPYOCEOGO-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343683;MM343683;C=CN(C=NN(C)C)N=C;WGJYLHHZGFDCGX-UHFFFAOYSA-N;140.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343684;MM343684;CCC1(CNC(C)C)CO1;PYYBYMDQIUFLNA-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343685;MM343685;C=NN(C=N)C=NN(C)C;BBCJXICWBDHYAX-UHFFFAOYSA-N;141.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343686;MM343686;CC(C)NCC1(CN)CO1;NKNORYUNQZNFLY-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343687;MM343687;CN(C)C=NN(C=N)C=O;FEHDSFVKNIOWQY-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343688;MM343688;CC(C)NCC1(CO)CO1;CYZHTOHBGJLPBT-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343689;MM343689;CN(C)C=NN(C=O)C=O;FVQSZICWMWPXBU-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343690;MM343690;CCC1(COC(C)C)CO1;FDXVUQAIMGWOBA-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343691;MM343691;C=CN(C=O)N=CN(C)N;ADFJOUSVBJIIGQ-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343692;MM343692;CC(C)OCC1(CN)CO1;QHQQNKILCHMCGB-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343693;MM343693;CN(N)C=NN(C=O)C=O;FMLPULYUEZENSF-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343694;MM343694;CC(C)OCC1(CO)CO1;LHTPDIPWMUBINT-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343695;MM343695;C#CC(C=C)C=CC(C)C;NCCJRSXFNTWQFQ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343696;MM343696;CC(C)OCC1(CF)CO1;YPTVJFWKANJSFH-UHFFFAOYSA-N;148.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343697;MM343697;C#CC(C=O)C=CC(C)C;WWKFQZKFTADYHB-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343698;MM343698;CCC1(CCN(C)C)CO1;DUVGBNZHLMXZCQ-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343699;MM343699;C#CC(C#N)C=CC(C)C;JJTKWJJTHCYJLX-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343700;MM343700;CN(C)CCC1(CN)CO1;XRGPIOOZZJQTQE-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343701;MM343701;CC1=C(CO)CCC1(C)C;JXWOUGIBRWOLQN-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343702;MM343702;CN(C)CCC1(CO)CO1;KAOLKNRVZDTBJX-UHFFFAOYSA-N;145.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343703;MM343703;C#CC(C#N)C=CC(C)O;GDAKLVCZVCIPAU-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343704;MM343704;C=CC1(CCC(C)C)CC1;QRDKWANEKICIBM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343705;MM343705;C#CC(C=C)C=CC(C)F;VXMVLSNSAZSJFQ-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343706;MM343706;CC(C)CCC1(C=O)CC1;HQYNSRXLLCNXLC-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343707;MM343707;C#CC(C=O)C=CC(C)F;ZRIGOFVZVQOSDO-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343708;MM343708;CC(C)CCC1(C#N)CC1;LASJCZILVFNNFT-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343709;MM343709;C#CC(C#N)C=CC(C)F;BZLBPNWVJKJEBX-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343710;MM343710;C=CC1(CCC(C)N)CC1;HBWWYVWWUSNFKH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343711;MM343711;C#CC(C=C)C=NN(C)C;LPUYHOHHTHJDCL-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343712;MM343712;NN=COCC#CC(F)F;MYXWMAGWMDVDQD-UHFFFAOYSA-N;148.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343713;MM343713;C#CC(C#N)C=NN(C)C;YRZJBMHDZUYPEO-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343714;MM343714;C=CCC(CC=O)CCO;STPXFHNWEBWMMQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343715;MM343715;C=CC(C#N)CC(C)CO;FGZLTIFZLKGENC-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343716;MM343716;C=NNC1=CC(=O)C(C)C1;NZDFJZIPGCEEET-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343717;MM343717;CC(CO)CC(C#N)=CF;GBEKSSUIQNGYGA-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343718;MM343718;C=CC1(CCC(F)F)CC1;FBGSKBJOFCIWCY-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343719;MM343719;C#CC(C#C)C=CC(C)C;VNNBWAJTJRFWAB-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343720;MM343720;C=CC1(CNC(C)C)CC1;JWEFQDXQCNORFL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343721;MM343721;C#CC(C#C)C=CC(C)N;FHSYEFMUDYNZRU-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343722;MM343722;CC(C)NCC1(C=O)CC1;VWHOPTHANPBUKV-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343723;MM343723;C#CC(C#C)C=CC(C)O;ZDUNFLZRHZOLKR-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343724;MM343724;C=CC1(COC(C)C)CC1;ARIUINLQRXNBJL-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343725;MM343725;C#CC(C#C)C=CC(C)F;FCLZEEWRYUERBD-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343726;MM343726;CC(C)OCC1(C=O)CC1;NZVLRCVEAUEGIA-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343727;MM343727;C#CC(C#C)C=NN(C)C;OLDWBKRJBUABRZ-UHFFFAOYSA-N;134.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343728;MM343728;CC(C)OCC1(C#N)CC1;CSKQTYJTBBNHHR-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343729;MM343729;C=C(C)C=CC(CC)CC;VVEPNKUFWVDTIL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343730;MM343730;C=CC1(NCC(C)C)CC1;GJWDORUFILOISO-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343731;MM343731;C=C(C)C=CC(CC)CN;BLTZBZNLVMDPLC-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343732;MM343732;CC(C)CNC1(C=O)CC1;RPXAVIHWLNBEKG-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343733;MM343733;C#CC(CO)CCC(=C)C;STHXGRWQFCVGRZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343734;MM343734;CC(C)CNC1(C#N)CC1;IAMDIIFUVSXNBR-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343735;MM343735;C=C(C)C=CC(CC)CF;FDHLRAFHJAMQDT-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343736;MM343736;C=CC1(NCC(C)N)CC1;LOOAXYHAZIMFTJ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343737;MM343737;C=C(C)C=CC(CN)CF;KGMPZNINOTZWKU-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343738;MM343738;C=CC1(NCC(C)O)CC1;KFHIFXJYOBJPRR-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343739;MM343739;C=C(C)C=CC(CO)CF;OTNOXTBFCXFLER-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343740;MM343740;C#CC(C#N)N1CC1(C)C;WBTFMEGZLDIHRV-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343741;MM343741;C=C(C)C=CC(CF)CF;ZNZQKSOWUNAOOU-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343742;MM343742;C=CC1(OCC(C)C)CC1;ACRXVKUHXYNUIS-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343743;MM343743;CCC(C=CC(C)=O)CC;MTNXTOAQNAWJRM-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343744;MM343744;CC(C)COC1(C=O)CC1;CTXUKGZTRZERNS-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343745;MM343745;CC(=O)C1NC1(C#N)C=O;RRWFFPFYNKVBOR-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343746;MM343746;CC(C)COC1(C#N)CC1;BCNFBSFFKQGGQA-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343747;MM343747;CCC(C=CC(C)=O)CF;IVZAIRLTVQZDBW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343748;MM343748;C=CC1(OCC(C)N)CC1;PBTMSUYDPZWVRN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343749;MM343749;CC(=O)C=CC(CF)CF;LZTKUZVXKTVJIX-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343750;MM343750;C=CC1(OCC(C)O)CC1;PPICLWFGQCOKJE-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343751;MM343751;CCC(C=CC(=N)N)CC;RHELSMKZEJTOFK-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343752;MM343752;CC(O)COC1(C=O)CC1;RMXLKUPYUGHVEF-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343753;MM343753;CCC(C=CC(=N)N)CF;GDCFTFUHXZZPAA-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343754;MM343754;CC(O)COC1(C#N)CC1;YQPWLIHTVQCFLK-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343755;MM343755;N=C(N)C=CC(CN)CN;JOYHYGJZBIRODC-UHFFFAOYSA-N;142.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343756;MM343756;C=CC1(OCC(C)F)CC1;HZIRIPUYBVXJLD-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343757;MM343757;N=C(N)C=CC(CN)CO;ALHMJTPNTDDTLZ-UHFFFAOYSA-N;143.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343758;MM343758;CC(F)COC1(C=O)CC1;KFCDZBSJYJSBEC-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343759;MM343759;N=C(N)C=CC(CN)CF;QKCGALDRGWODCG-UHFFFAOYSA-N;145.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343760;MM343760;CC(F)COC1(C#N)CC1;GSUDHWBZXVRXQV-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343761;MM343761;N=C(N)C=CC(CO)CO;UJGIRWPNJLRGJU-UHFFFAOYSA-N;144.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343762;MM343762;C=CC1(CCN(C)C)CC1;NGQRQAROBLAYLQ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343763;MM343763;NCC(C=CC(N)=O)CN;PZXZWCUCLZRFTK-UHFFFAOYSA-N;143.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343764;MM343764;CN(C)CCC1(C=O)CC1;GOEORQKBVMWQDO-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343765;MM343765;NCC(C=CC(N)=O)CO;ABEHTAVJGGOGQS-UHFFFAOYSA-N;144.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343766;MM343766;CN(C)CCC1(C#N)CC1;YANPDSLTLFXWRS-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343767;MM343767;NCC(C=CC(N)=O)CF;BMOZRHJYCRZZGO-UHFFFAOYSA-N;146.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343768;MM343768;CC(C)CCC1(C=O)CN1;FWRHONPBDLNBSE-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343769;MM343769;CN(CCC=O)C(=N)C=O;XQEXYIJCELWHJV-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343770;MM343770;CC(C)CCC1(C#N)CN1;XZRKAYVQZPTYNS-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343771;MM343771;CCC(C=CC(=O)O)CC;JUAHIVUUUQRPLE-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343772;MM343772;C=CC1(CCC(C)N)CN1;TWLACDYTLKJTNZ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343773;MM343773;NNc1nc(=O)[nH][nH]c1=O;JCSVTNJGAFSXID-UHFFFAOYSA-N;143.11;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343774;MM343774;CC(F)CCC1(C=O)CN1;QZZOFHDERTVOGK-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343775;MM343775;CCC(C)C(CC)C(N)=O;QRCJOCOSPZMDJY-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343776;MM343776;N#CC1(CCC(F)F)CN1;YGMHPSWZISNXAU-UHFFFAOYSA-N;146.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343777;MM343777;C=C(F)C=CC(CN)CF;SKPRJDOJFUBVMI-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343778;MM343778;C=CC1(CNC(C)C)CN1;LRIRKNMXEZZYEC-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343779;MM343779;C=C(F)C=CC(CO)CO;MLHWCDGZQYDMCR-UHFFFAOYSA-N;146.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343780;MM343780;CC(C)NCC1(C=O)CN1;UNIPEEQHOSVXJC-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343781;MM343781;C=C(C)C=CC(CC)NC;WUOLZYIEHYRRAE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343782;MM343782;CCC(C=CC(C)=O)NC;HAZMLHJEESLRGK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343783;MM343783;C=CC1(COC(C)C)CN1;AIRPWKQWNKSBQD-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343784;MM343784;CNC(C=CC(C)=O)CO;ZBFDCLGMCFFKRP-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343785;MM343785;CC(C)OCC1(C=O)CN1;XALRFFLFGUWTPN-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343786;MM343786;CNC(C=CC(=N)N)CN;GATPASTYVAOLCE-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343787;MM343787;CC(C)OCC1(C#N)CN1;HWPOKLANLHMIEY-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343788;MM343788;CNC(C=CC(=N)N)CO;XRNRNOQBLQDTOT-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343789;MM343789;C=CC1(CCN(C)C)CN1;RAUVTKHBGCRYDQ-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343790;MM343790;CN(C)CCC1(C=O)CN1;PGFAETWFAKOMNS-UHFFFAOYSA-N;142.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343791;MM343791;CNC(C=CC(N)=O)CN;CTPOPMKXUVYSRR-UHFFFAOYSA-N;143.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343792;MM343792;C=C(F)C=CC(CC)NC;LWQMLXXZMOVJQT-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343793;MM343793;C=CC1(CCC(C)C)CO1;AKJALCAACHIBKN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343794;MM343794;C=C(C)C=CC(CC)OC;UVPMMLYFRBDNHB-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343795;MM343795;CC(C)CCC1(C=O)CO1;OFUUJXFDYOSZRX-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343796;MM343796;C=C(C)C=CC(CN)OC;MRUYMLHNABJTGM-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343797;MM343797;CC(C)CCC1(C#N)CO1;PBFXVKRGWVYZDX-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343799;MM343799;C=CC1(CCC(C)N)CO1;UTBHNMBAFVHZQF-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343798;MM343798;C=C(C)C=CC(CO)OC;YSLFEDJCRZVNAJ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343800;MM343800;C=C(C)C=CC(CF)OC;UXBCIGWVIDKCMJ-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343801;MM343801;C=CC1(CCC(C)O)CO1;YDYNUZWKRKGFSG-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343802;MM343802;CCC(C=CC(C)=O)OC;VRNOOLHHAJYUAE-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343803;MM343803;C=CC1(CCC(C)F)CO1;KJBSLPABXILHBC-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343804;MM343804;C=CC1(CCC(F)F)CO1;NLMQCHCBUYYQQA-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343805;MM343805;COC(C=CC(C)=O)CO;OVPRBWPCMOKHMB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343806;MM343806;N#CC1(CCC(F)F)CO1;ABSYSWXJSQAETQ-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343807;MM343807;CCC(C=CC(=N)N)OC;MPSCZYUIHPUOPQ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343808;MM343808;C=CC1(CNC(C)C)CO1;GSGLOVYZPRRROJ-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343809;MM343809;COC(C=CC(=N)N)CO;GILWPINEHNQFIP-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343810;MM343810;CC(C)NCC1(C=O)CO1;DOLURRLLKCEGMZ-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343811;MM343811;COC(C=CC(=N)N)CF;SDAOMIBQRLEWGE-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343812;MM343812;C=CC1(COC(C)C)CO1;JPLVLXAJYIOZDU-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343813;MM343813;C#CC(CO)CCC=CC;KCGUMQAHLBSBAS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343814;MM343814;CC(C)OCC1(C=O)CO1;OBDKHEWUXZCZOS-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343815;MM343815;COC(C=CC(N)=O)CN;IDPNNKXXCKJALQ-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343816;MM343816;CC(C)OCC1(C#N)CO1;ZLFVTXZSFKFRSN-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343817;MM343817;COC(C=CC(N)=O)CO;ICWYBDKKWDNCTR-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343818;MM343818;C=CC1(CCN(C)C)CO1;CPRIJDIZWTYWCA-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343819;MM343819;C=CCOC(N)=CC(=O)O;KITJXCPYHVSNRH-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343820;MM343820;C#CC1(CCC(C)C)CC1;DRJLEKHIIJKDPW-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343821;MM343821;C=C(F)C=CC(CC)OC;TWXGWQVPIOZOFG-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343822;MM343822;C#CC1(CCC(C)N)CC1;CGKQTMYDEDOYGS-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343823;MM343823;C=C(F)C=CC(CO)OC;XFVDNARUXFNITO-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343824;MM343824;COC(=N)NN=C(C)C=O;WDNPZBCLSCBPFM-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343825;MM343825;C=C(F)C=CC(CF)OC;MAEOMHOAWYWLST-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343826;MM343826;C#CC1(CCC(F)F)CC1;SHZSGEQRHYHMHO-UHFFFAOYSA-N;144.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343827;MM343827;COC(C=CC(=N)N)OC;KNLVULNFGSRDRX-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343828;MM343828;C#CC1(CNC(C)C)CC1;BDUFGNMENHYXDD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343829;MM343829;CC(CCO)C1(CO)CC1;BDHATFPUEUPRLC-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343830;MM343830;C#CC1(COC(C)C)CC1;YBAIGOKTFRUVIL-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343831;MM343831;C#CC(C=C)CC1CC1O;QPUXRLAENBIEKI-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343832;MM343832;C#CC1(NCC(C)C)CC1;MHWOVWMAYDWEIX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343833;MM343833;C#CC(C=O)CC1CC1O;BWQSOIDSEUDXFV-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343834;MM343834;C#CC1(NCC(C)N)CC1;YBRFPBZBFOSVRL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343835;MM343835;CCN(C=NC(=N)N)NC;JDOBKLMRVJHMQT-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343836;MM343836;C#CC1(NCC(C)O)CC1;DYVGNRUOCZJEMH-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343837;MM343837;CCN(C=NC(N)=O)OC;ROYARPTUFQDBOB-UHFFFAOYSA-N;145.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343838;MM343838;C#CC1(OCC(C)C)CC1;YBMRHDHGFQHWCN-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343839;MM343839;C=C(C)C=NN(CC)CC;PYAFLBXZPSGUKT-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343840;MM343840;C#CC1(OCC(C)N)CC1;WMEIDCVSSDKICB-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343841;MM343841;C=CC(C=CC(=C)C)CC;WMKKCKKHQRWNIL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343842;MM343842;C#CC1(OCC(C)O)CC1;QFKZRSAHKJVNJQ-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343843;MM343843;C=C(C)C=CC(C=O)CC;BLQWDMBBSGKUSR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343844;MM343844;C#CC1(OCC(C)F)CC1;WPAAYEAVRWFSNE-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343845;MM343845;C=C(C)C=CC(C#N)CC;GTEDOONNXKDNRE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343846;MM343846;C#CC1(CCN(C)C)CC1;VKSBJXGJPWAGOU-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343847;MM343847;C=CC(C=CC(=C)C)CN;UOJRVTMNBDEXBA-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343848;MM343848;C#CC1(CCC(C)C)CN1;ZNOHSMKTIOXDGU-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343849;MM343849;NNc1nn(C=O)oc1=O;URISXUZDUNSABB-UHFFFAOYSA-N;144.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343850;MM343850;C#CC1(CCC(C)N)CN1;OPSKYBQXUUPNAR-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343851;MM343851;C=C(C)C=CC(C#N)CO;OYIKUUXCWUEBDX-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343852;MM343852;CC(O)CCC1(C#N)CC1;ZCJSLIGHFZYRHG-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343853;MM343853;C=CC(C=CC(=C)C)CF;JVDZLAKXHLQQBD-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343854;MM343854;C#CC1(CCC(F)F)CN1;JQTPUQQVXPPEKD-UHFFFAOYSA-N;145.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343855;MM343855;C=C(C)C=CC(C=O)CF;KOBGAYSWVWKHNN-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343856;MM343856;C#CC1(CNC(C)C)CN1;AUBADMZAJIPRSW-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343857;MM343857;C=C(C)C=CC(C#N)CF;MVWJUIZWDBCXBY-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343858;MM343858;C#CC1(COC(C)C)CN1;URUKWYHJZANSKN-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343859;MM343859;C=CC(C=CC(C)=O)CC;XBNNVUJEMUYDPZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343860;MM343860;C#CC1(CCN(C)C)CN1;WQTGDFSEJORSBZ-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343861;MM343861;CCC(C=O)C=CC(C)=O;BJSPKGTXTGTNBW-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343862;MM343862;C#CC1(CCC(C)C)CO1;LTWWBJOMCLQZSU-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343863;MM343863;CCC(C#N)C=CC(C)=O;FOOVEEBVCSAXTN-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343864;MM343864;C#CC1(CCC(C)N)CO1;ZTOBJFZYBBIFED-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343865;MM343865;CC(=O)C=CC(C=O)CO;OBGUYZBXMLQLIA-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343866;MM343866;C#CC1(CCC(F)F)CO1;FKIRDDWFEYJQRC-UHFFFAOYSA-N;146.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343867;MM343867;C=CC(C=CC(C)=O)CF;ZUNLZQDXWJDDNO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343868;MM343868;C#CC1(CNC(C)C)CO1;BCBWGQJUJCGIDY-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343869;MM343869;C=CC(C=CC(=N)N)CC;QDVNEWQLBICPNA-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343870;MM343870;C#CC1(COC(C)C)CO1;FDWBWZJFVHKISN-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343871;MM343871;C=CC(C=CC(=N)N)CO;HWHKWSUZQRRKBG-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343872;MM343872;C#CC1(CCN(C)C)CO1;NPAIPVCREDZOBX-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343873;MM343873;N#CC(C=CC(=N)N)CO;BVBMTEOXCQFNIP-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343874;MM343874;C=C(C)CCC1(CC)CC1;VYLMDUFKUGPWFH-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343875;MM343875;C=CC(C=CC(=N)N)CF;IJGZVIZKHLVZDH-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343876;MM343876;C=C(C)CCC1(CN)CC1;ATCIOWCENLXBPQ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343877;MM343877;CCc1[nH]nc(C#N)c1N;KIHLQSMLYDGIPO-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343878;MM343878;CC1(CCC=O)CN1C=O;OXQXDGYIKSUJGB-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343879;MM343879;C=CC(C=CC(N)=O)CN;VGYSDFXQEYYCNV-UHFFFAOYSA-N;140.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343880;MM343880;C=C(C)CCC1(CF)CC1;NXYIFTDNPDLFFO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343881;MM343881;CC=C(CO)C1C(C)C1C;HWIOPAGXGWJNCX-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343882;MM343882;CCC1(CCC(C)=O)CC1;WDPXIRPASFDJHG-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343883;MM343883;N#CC(C=CC(N)=O)CO;IWWPWRGOHZKJMU-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343884;MM343884;CCC1(CCC(=N)N)CC1;PVSILNANQPWCRB-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343885;MM343885;CCC(C#N)C=CC(=O)O;BYYUCNFRFMAQBU-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343886;MM343886;N=C(N)CCC1(CN)CC1;VVRNXTSWBHQEFB-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343887;MM343887;CCN(C=N)N=CC(=O)O;FSJZQGWXSNLZNP-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343888;MM343888;N=C(N)CCC1(CO)CC1;DGSSGIMHYULTFC-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343889;MM343889;C=CC(C=CC(=C)F)CC;ZSGLREDKIXKBPG-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343890;MM343890;CCC#CC=CC(O)CC;SUDLXILIDLLDQE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343891;MM343891;C=C(F)C=CC(C=O)CC;OCJVYBMYBJYLNL-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343892;MM343892;NCC1(CCC(N)=O)CC1;QPVNDQJBBJUJFB-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343893;MM343893;C=C(F)C=CC(C#N)CC;PMKJACWVGJLVGD-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343894;MM343894;CCC(=CC#N)NCC=O;GRJGKQCUSKXIFU-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343895;MM343895;C=CC(C=CC(=C)F)CN;RVTACAJVNXWRNU-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343896;MM343896;CCC1(CCC(=O)O)CC1;MHSBOYQXKFMXDU-UHFFFAOYSA-N;142.2;2.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343897;MM343897;C=C(F)C=CC(C=O)CO;QHPXNWKJONZLBB-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343898;MM343898;O=C(O)CCC1(CF)CC1;FSQUSZAGBLKXBN-UHFFFAOYSA-N;146.16;1.6;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343899;MM343899;C=C(F)C=CC(C#N)CO;AGFLAPSAMKCTPA-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343900;MM343900;C=C(F)CCC1(CC)CC1;MFMXHSYZHRZKNX-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343901;MM343901;CON=COCCCC=O;CYSHJKXMFDTWNE-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343902;MM343902;C#CC#Cc1cc(N)no1;JJVHUSHRKZDCQB-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343903;MM343903;CNC(C#N)C=CC(=N)N;UAADMAFEKQNDGF-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343904;MM343904;CCC1(CNC(C)=N)CC1;BHDWVYJJXZTODD-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343905;MM343905;C#CC1CC1CO;LKUCMEHIFVXSGA-UHFFFAOYSA-N;96.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343906;MM343906;CC(=N)NCC1(CN)CC1;MDZGOTDAGCVNBE-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343907;MM343907;C=CC(C=CC(=C)F)NC;PXMKREVMODDQFK-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343908;MM343908;CC(=N)NCC1(CF)CC1;BXHYNRGZRBQGBA-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343909;MM343909;C=C(F)C=CC(C#N)NC;SJWNCHJZVUPJPW-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343910;MM343910;C=c1ccc(=C)c(CO)c1;RZOLIQMOUOOBNV-UHFFFAOYSA-N;134.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343911;MM343911;C=CC(C=CC(=C)C)OC;SHBSDQUIKZQLDB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343912;MM343912;CC(=O)NCC1(CN)CC1;MIBDJVLKLCJWRE-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343913;MM343913;C=C(C)C=CC(C#N)OC;NGFJEJGLCMOUSL-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343914;MM343914;CC(=O)NCC1(CO)CC1;SPNSNTUMJJNRHJ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343915;MM343915;C=CC(C=CC(C)=O)OC;ORMGSAYZZDBEJE-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343916;MM343916;CC(=O)NCC1(CF)CC1;XDDYNJWSRWJGDV-UHFFFAOYSA-N;145.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343917;MM343917;COC(C=O)C=CC(C)=O;RTNUMRXBIGACOQ-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343918;MM343918;CCC1(CNC(=N)N)CC1;WZQXLNRXVWYSJD-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343919;MM343919;Cn1c(O)c(F)oc1=O;OASMYKNZTIOKHA-UHFFFAOYSA-N;133.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343920;MM343920;N=C(N)NCC1(CO)CC1;DPRSBAKTWMSGHJ-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343921;MM343921;C=CC(C=CC(=C)F)OC;QOQNPXUPHZZSHS-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343922;MM343922;N=C(N)NCC1(CF)CC1;KXNRRWUHPOZRMX-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343923;MM343923;C=C(C)C=CN(C=N)CC;RVHIFZCYXAMLNX-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343924;MM343924;CCC1(CNC(N)=O)CC1;OFGFOPLOMGBIGI-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343925;MM343925;C=C(C)C=CN(C=O)CC;YPXOWTWZMTXHLB-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343926;MM343926;C=C(C)OCC1(CC)CC1;MRRJWOUQSRWYRW-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343927;MM343927;CCN(C=O)C=CC(=N)N;AYBFHKLAYMHPFE-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343928;MM343928;C=C(C)OCC1(CN)CC1;WMLVJMRTHOVCLX-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343929;MM343929;CCN(C=N)C=CC(N)=O;YYKKUCWDVXTWJR-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343930;MM343930;C=C(C)OCC1(CO)CC1;DDQMDRBINHPOCD-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343931;MM343931;C=C(F)C=CN(C=N)CC;MMKBGSUZDJSUNW-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343932;MM343932;CCC1(COC(C)=O)CC1;QQOGVOPOESQOIH-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343933;MM343933;C=C(F)C=CN(C=O)CC;QKGZJOKOGLNRRO-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343934;MM343934;CC(=O)OCC1(CN)CC1;ZWXWHELYDZPPTC-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343935;MM343935;O=c1ccc(=O)oc(O)c1;JOAFTLXDKXUJEB-UHFFFAOYSA-N;140.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343936;MM343936;CC(=O)OCC1(CO)CC1;UOYDLRWBDBJRPX-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343937;MM343937;C#CCCC1CC1O;CYJZPZLKOOCOGX-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343938;MM343938;CC(=O)OCC1(CF)CC1;NSXYYMUHGTZREM-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343939;MM343939;CNN(C=N)C=CC(=N)N;OPETTXATEQDRCT-UHFFFAOYSA-N;141.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343940;MM343940;CCC1(COC(=N)N)CC1;BKANJOJPBUTUAJ-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343941;MM343941;CNN(C=O)C=CC(=N)N;NFNBUJBTJWYXTD-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343942;MM343942;N=C(N)OCC1(CO)CC1;MZBCNXPMKNXUKN-UHFFFAOYSA-N;144.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343943;MM343943;CC(=CCC#N)C(C)O;NZPQDDMLNLWMCA-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343944;MM343944;N=C(N)OCC1(CF)CC1;XBPMVKBNSOGCAV-UHFFFAOYSA-N;146.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343945;MM343945;Nc1nc(=O)n(O)[nH]c1=O;OAAMTVXXNQSBQE-UHFFFAOYSA-N;144.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343946;MM343946;NCC1(COC(N)=O)CC1;BGFDFYIHHIRANH-UHFFFAOYSA-N;144.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343947;MM343947;C=C(F)C=CN(C=N)NC;LCOWALOSYNDRCC-UHFFFAOYSA-N;143.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343948;MM343948;NC(=O)OCC1(CF)CC1;FVSFANCIPYVVSB-UHFFFAOYSA-N;147.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343949;MM343949;C=C(C)C=CN(C=O)OC;PYNRWEBWRKBVFR-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343950;MM343950;C=C(C)CCC1(NC)CC1;PFJKYHGPZJFAGB-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343951;MM343951;CON(C=N)C=CC(=N)N;YZRGOYNFYNWNTD-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343952;MM343952;CNC1(CCC(C)=O)CC1;FZDQMOCJUTXQRS-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343953;MM343953;CON(C=O)C=CC(=N)N;ONZYWCSGYCSNNI-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343954;MM343954;CNC1(CCC(=N)N)CC1;GLFFTCIZBMFYLL-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343955;MM343955;CNC1(CCC(N)=O)CC1;PYAJJFTZRTZCRW-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343956;MM343956;CCN(C=O)C=NC(C)=N;LVGATIFYHMPVCK-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343957;MM343957;C=C(F)CCC1(NC)CC1;LOVAKYORQXLCSW-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343958;MM343958;C=CN(C=NC(=N)N)CC;VITVMMUDMYOUDU-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343959;MM343959;CNC1(CNC(C)=N)CC1;ZLBYWTPKDQXZAX-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343960;MM343960;CCN(C=N)C=NC(=N)N;RKUXTJFVVYVYGT-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343961;MM343961;CNC1(CNC(C)=O)CC1;ISUXTQVAGFNVPJ-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343962;MM343962;CCN(C=O)C=NC(=N)N;WRMDANCQZVZQCG-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343963;MM343963;CNC1(CNC(N)=O)CC1;AVKKWGARBMLPEC-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343964;MM343964;C#CC1C(O)C1(C)C#C;VWWKGZAWGBWYAL-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343965;MM343965;C=C(C)OCC1(NC)CC1;NTJLDGGFMDWMTJ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343966;MM343966;CCN(C=O)C=NC(N)=O;JZORZJBFTBKEIS-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343967;MM343967;CNC1(COC(C)=O)CC1;UNJNVXOCAONRHZ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343968;MM343968;CNN(C=O)C=NC(C)=N;ONIKDNWTIHOJMI-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343969;MM343969;CNC1(COC(N)=O)CC1;XFDDXAZLFKQABQ-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343970;MM343970;CC1N=C(C=O)N=C1N;PUKYJZFLOIPYPP-UHFFFAOYSA-N;125.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343971;MM343971;C=C(C)CCC1(OC)CC1;IGNDQBLTORELPO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343972;MM343972;C=CN(C=NC(=N)N)NC;VCYTUMWSGZVEBD-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343973;MM343973;COC1(CCC(C)=O)CC1;UXLFKIZGTOINRR-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343974;MM343974;CNN(C=N)C=NC(=N)N;VATCVMJIQNZACP-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343975;MM343975;COC1(CCC(=N)N)CC1;KIJJMJWORMQCBS-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343976;MM343976;CNN(C=O)C=NC(=N)N;PZHFCMAEYAYQEZ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343977;MM343977;C#CC(C=O)CC=NN=C;QISYYQKACDCMGD-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343978;MM343978;CCNc1cnc(C)o1;BSGHOTAROVDQIU-UHFFFAOYSA-N;126.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343979;MM343979;CC=Cn1oc(O)nc1=O;YPPFZMXDGSWTFJ-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343980;MM343980;C=CN(C=NC(C)=N)OC;VZYXUNSBFUGEQD-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343981;MM343981;C=C(F)CCC1(OC)CC1;AGUQFSKBLKKXOJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343982;MM343982;CON(C=O)C=NC(=N)N;VPIYZAYQXOFFSI-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343983;MM343983;COC1(CNC(C)=N)CC1;RSEPHDPHTWPYEJ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343984;MM343984;C=CN(C=NC(N)=O)OC;DOHMHNLZDHRDAM-UHFFFAOYSA-N;143.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343985;MM343985;COC1(CNC(C)=O)CC1;NGGYLTGCGRWIRV-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343986;MM343986;CON(C=O)C=NC(N)=O;IJFPMMHDUDISAG-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343987;MM343987;COC1(CNC(=N)N)CC1;IZAMVFJVSAQAED-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343988;MM343988;C=C(C)C=NN(C=O)CC;JRMFASNUXREKJD-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343989;MM343989;C=C(C)OCC1(OC)CC1;YKZCEVFJZKNEGC-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343990;MM343990;CCN(C=N)N=CC(=N)N;KANVUYFEVGMJBY-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343991;MM343991;COC1(COC(C)=O)CC1;NRUTYPWJTGWUNT-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343992;MM343992;COC(CC(=O)O)=C(F)F;IERIMMVVVWKTCU-UHFFFAOYSA-N;152.1;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343993;MM343993;COC1(COC(=N)N)CC1;NUKFHOWPYCRACU-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343994;MM343994;C=C(F)C=NN(C=N)CC;ZRZIYVNAEIVQPA-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343995;MM343995;COC1(COC(N)=O)CC1;GNLGTWVURAGNIJ-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343996;MM343996;C=C(F)C=NN(C=O)CC;YZVVGZNWGRSGBD-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343997;MM343997;C=C(C)CNC1(CC)CC1;ORYSYBBGZJOEID-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343998;MM343998;C#CC(C=CC(=C)C)CC;IADUGHQZSJEWLL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM343999;MM343999;C=C(C)CNC1(CN)CC1;LTRLZGBLOBDJGC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344000;MM344000;C#CC(C=CC(=C)C)CF;FSBGRIZRCDYSDU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344001;MM344001;CCC1(NCC(C)=O)CC1;PKVQGDYPQXRYJZ-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344002;MM344002;C#CC(C=CC(C)=O)CC;FCPMCEUIHBBFCR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344003;MM344003;CCC1(NCC(=N)N)CC1;GRPBAKJKLUXIBO-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344004;MM344004;CC1C=C(CO)C(C)C1;FLUXKRDGOMPZOQ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344005;MM344005;N=C(N)CNC1(CF)CC1;BQSJNURKGAOVED-UHFFFAOYSA-N;145.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344006;MM344006;CCC1(NCC(N)=O)CC1;BFMFBBRPBWKAJP-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344007;MM344007;C#CC(C=CC(=O)O)CC;FSSWKVCPOAIQTA-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344008;MM344008;NCC1(NCC(N)=O)CC1;YLMUDDPTIMUCMN-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344009;MM344009;C=C(OC=COC)C(=O)O;WAVXNXOFEYMQQI-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344010;MM344010;C=C(F)CNC1(CF)CC1;ZZFYRXSUSOBLQK-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344011;MM344011;C#CC(C=CC(=C)F)CC;YXHMJPIADJPKOI-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344012;MM344012;CCC1(NNC(C)=N)CC1;JCWVKKITVBNSMJ-UHFFFAOYSA-N;141.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344013;MM344013;C#CC(C=CC(=C)C)NC;NRDCOJTYKCZKKE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344014;MM344014;CC(=N)NNC1(CN)CC1;QJYZXUIOEJJNFD-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344015;MM344015;C#CC(C=CC(=C)F)NC;DEXFJTKUULQXJH-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344016;MM344016;CC(=N)NNC1(CO)CC1;ISVNCCASHBIMIK-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344017;MM344017;C#CC(C=CC(=C)C)OC;WAMBTSZNGIOFLO-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344018;MM344018;CC(=N)NNC1(CF)CC1;JDXQBPYOQYBXQT-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344019;MM344019;C#CC(C=CC(C)=O)OC;HENQRBIWUCBDOO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344020;MM344020;C=CC(C=O)C(C)CCO;AZHSMBZLFACXAH-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344021;MM344021;C=CC(C=C)C=CC(=C)C;IYRAIFJEHANKAA-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344022;MM344022;CC(=O)NNC1(CN)CC1;NRDZXYJOOCLOTI-UHFFFAOYSA-N;143.19;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SNd";;;;;;;-1.11;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344023;MM344023;C=CC(C=O)C=CC(=C)C;OZQWNMRELTXSJF-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344024;MM344024;C#CC1=CCC(CCO)C1;IAHXIDKMNJBOJR-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344025;MM344025;C=CC(C#N)C=CC(=C)C;CVUKOYURWFCKLJ-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344026;MM344026;CCNc1cc(CC)on1;FNZFIEIJTIJWGH-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344027;MM344027;C=C(C)C=CC(C#N)C#N;AWGJEZRWBSNXAC-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344028;MM344028;CCC1(NNC(=N)N)CC1;ATGMRZALKAHGAX-UHFFFAOYSA-N;142.21;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344029;MM344029;C=CC(C=C)C=CC(C)=O;MGMMHYKDSAWJFC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344030;MM344030;N=C(N)NNC1(CN)CC1;VDFGYAPOBGZFKU-UHFFFAOYSA-N;143.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344031;MM344031;C=CC(C#N)C=CC(C)=O;VJJUKPPZUZBOJT-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344032;MM344032;N=C(N)NNC1(CF)CC1;PXKCRWWXJRUNTE-UHFFFAOYSA-N;146.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344033;MM344033;C=CC(C=C)C=CC(=N)N;QKHLKWRTRZKJFI-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344034;MM344034;N#CC(=N)NC1CC1C=O;AEERYENMUXZAJV-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344035;MM344035;N#CC(C#N)C=CC(=N)N;SPLBCUPKYDYSIP-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344036;MM344036;NCC1(NNC(N)=O)CC1;VSHFJZGDYIRPFE-UHFFFAOYSA-N;144.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344037;MM344037;CC1CC=C(CO)C1C;GJRCSJHAQAULPU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344038;MM344038;C=C(C)C(O)C=CC1CC1;IKWCYZUMVGPSHE-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344039;MM344039;C=CC(C=C)C=CC(=O)O;QVQRUEQPJRJNIR-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344040;MM344040;NC(=O)NNC1(CF)CC1;QFZMLFAYQBQBDR-UHFFFAOYSA-N;147.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344041;MM344041;C=CC(C#N)C=CC(=O)O;DKWRQRBEAXQWFI-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344042;MM344042;C=C(C)COC1(CC)CC1;PKQAZWKRBGXUED-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344043;MM344043;N#CC(C#N)C=CC(=O)O;HLGAXCDMROEXTB-UHFFFAOYSA-N;136.11;0.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344044;MM344044;C=C(C)COC1(CN)CC1;TZXGYYVXKQQDOJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344045;MM344045;C=CN(C=N)C=CC(=C)C;OCJHLKLXEWJGMK-UHFFFAOYSA-N;136.2;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344046;MM344046;C=C(C)COC1(CO)CC1;WYDXLMOZXLVGEI-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344047;MM344047;C=CN(C=O)C=CC(=C)C;LDCCURAKBZRVRX-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344048;MM344048;C=C(C)COC1(CF)CC1;AJEPZPCJSKYMPB-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344049;MM344049;C=CN(C=N)C=CC(=N)N;KDOKKCXSOVHIBI-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344050;MM344050;CCC1(OCC(C)=O)CC1;XSZNCFOSPODQDN-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344051;MM344051;C=CN(C=O)C=CC(=N)N;UFBBRAYKKBWRPR-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344052;MM344052;CC(=O)COC1(CO)CC1;PODSOZIELRFSET-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344053;MM344053;N=CN(C=N)C=CC(=N)N;ILSAWFOBRWSLFU-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344054;MM344054;CC(=O)COC1(CF)CC1;PZSIGYYZZKJMBE-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344055;MM344055;N=C(N)C=CN(C=O)C=O;VZMVZWINDCCTNU-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344056;MM344056;CCC1(OCC(=N)N)CC1;KOHHKABHSOFASA-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344057;MM344057;C=CN(C=N)C=CC(N)=O;LBYOOLSPCZBIGY-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344058;MM344058;N=C(N)COC1(CN)CC1;BKNRZVXIWPSULC-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344059;MM344059;CC1=C(CO)CCC1C;UQKFGGPPSFBPOA-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344060;MM344060;N=C(N)COC1(CO)CC1;UWHORZGJIQVVGW-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344061;MM344061;C=C1C=CC(CO)=C1C;QABJKNPWGRTIIM-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344062;MM344062;N=C(N)COC1(CF)CC1;OLIHMFZDIFHMIC-UHFFFAOYSA-N;146.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344063;MM344063;NC(=CC=O)C(O)C(=O)O;KPTGZTSHATVMPB-UHFFFAOYSA-N;145.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344064;MM344064;CCC1(OCC(N)=O)CC1;KMPRCGFNZBMYPO-UHFFFAOYSA-N;143.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344065;MM344065;C=C(F)C=CN(C=O)C=O;QJTBRFNFZAERAM-UHFFFAOYSA-N;143.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344066;MM344066;NCC1(OCC(N)=O)CC1;AALCIUPVERUBOI-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344067;MM344067;C=NN(C=O)C=CC(=C)C;VRMHOMRDOSMYIS-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344068;MM344068;NC(=O)COC1(CO)CC1;ZAJLVLCAQYOXBP-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344069;MM344069;CC=C(CO)C1CC1C;KMKQTLSIGLCTSD-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344070;MM344070;NC(=O)COC1(CF)CC1;MQYRFMUXZYNHLQ-UHFFFAOYSA-N;147.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344071;MM344071;C=NNC=NOC=NN;KGZBXTSLHDBBID-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344072;MM344072;C=C(C)n1oc(O)nc1=O;PWGDFWOFHVPPPX-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344073;MM344073;C=NN(C=N)C=CC(=N)N;YIBAMWNOGOTDBV-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344074;MM344074;C=CC(OC=O)C(=O)O;NTNNWWYUIJEGEY-UHFFFAOYSA-N;130.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344075;MM344075;C=NN(C=O)C=CC(=N)N;MIVMEEHYBFWZJD-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344076;MM344076;C=C(F)COC1(CC)CC1;SKFHKVRYXXQZCV-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344077;MM344077;C#CC(C)(C)C(C)CCO;XYZYZDUECLQTLL-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344078;MM344078;C=C(F)COC1(CN)CC1;QBJSMXPMWMLDPV-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344079;MM344079;C=C(F)COC1(CO)CC1;FHMMETIZTKILMU-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344080;MM344080;C=C(CO)OC(=C)C(=O)O;SPFJVTKVXVMRHG-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344081;MM344081;CCC1(ONC(C)=N)CC1;NLPFHJLAZYSJSZ-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344082;MM344082;C=NN(C=N)C=CC(=C)F;URUBGGYLZABLOB-UHFFFAOYSA-N;141.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344083;MM344083;CC(=N)NOC1(CN)CC1;LDQCJUZVTDLDSG-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344084;MM344084;C=NN(C=O)C=CC(=C)F;AUUNCHOMKZFCTR-UHFFFAOYSA-N;142.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344085;MM344085;CC(=N)NOC1(CO)CC1;BVFWDYXTQLNVRV-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344086;MM344086;CC(=N)N=CN(C=N)C=N;VKXBLHJUPAUMTE-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344087;MM344087;CC(=N)NOC1(CF)CC1;MOJGVRJBVLWWCI-UHFFFAOYSA-N;146.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344088;MM344088;CC(=N)N=CN(C=N)C=O;RINSGWZXTIQWOA-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344089;MM344089;CCC1(ONC(C)=O)CC1;GSJOADMKXNTZEK-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344090;MM344090;CC(=N)N=CN(C=O)C=O;VESBJQDRQCPCLR-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344091;MM344091;CC(=O)NOC1(CO)CC1;UBDTVDUSEOPEGF-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344092;MM344092;C=CN(C=O)C=NC(C)=O;ZBWIWFOCRLPBHM-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344093;MM344093;CCC1(ONC(=N)N)CC1;XUFRGRSKSLFSHM-UHFFFAOYSA-N;143.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344094;MM344094;CCC(C)CC(C)C(N)=O;QZLVEQFBGWCASI-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344095;MM344095;CC(=O)N=CN(C=O)C=O;ZJPCUOXYNCBAJQ-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344096;MM344096;N=C(N)NOC1(CN)CC1;AVDUMMXWOTVKTK-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344097;MM344097;N=C(N)NOC1(CO)CC1;BZJPBAJQMVHREL-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344098;MM344098;C=CN(C=N)C=NC(=N)N;NEMQFNIIFXTRBW-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344099;MM344099;C=CN(C=O)C=NC(=N)N;MREFHQOANAKHHU-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344100;MM344100;NC(=O)NOC1(CO)CC1;DRCWIAMLLZQBKA-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344101;MM344101;N=C(N)N=CN(C=O)C=O;HGOADNXWAMFMHE-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344102;MM344102;NC(=O)NOC1(CF)CC1;WSTPVPVKKNAUNI-UHFFFAOYSA-N;148.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344103;MM344103;C=C(C)COC1(OC)CC1;JHODNYOREWAOHE-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344104;MM344104;C=CN(C=O)C=NC(N)=O;UMOOIDMDEMFGEE-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344105;MM344105;COC1(OCC(C)=O)CC1;NIWNMCKVFLPPIK-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344106;MM344106;N=CN(C=O)C=NC(N)=O;ZOUBKIWHPSVTOL-UHFFFAOYSA-N;142.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344107;MM344107;COC1(OCC(=N)N)CC1;KAFGXUFRAOECRX-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344108;MM344108;NC(=O)N=CN(C=O)C=O;QMPPZZQALABWHS-UHFFFAOYSA-N;143.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344109;MM344109;COC1(OCC(N)=O)CC1;HGKOLGBXDMJLNL-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344110;MM344110;C=CN(C=NC(C)=N)N=C;ARHUJPQTCAOCEI-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344111;MM344111;COC1(ONC(C)=N)CC1;BGCVNXVWDPJKCO-UHFFFAOYSA-N;144.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344112;MM344112;C=NN(C=N)C=NC(C)=N;PYJVTXRBAUDKDD-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344113;MM344113;C=C(C)CCC1(CN)CN1;GMJXKLNGNNHIPU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344114;MM344114;CC(CO)CC#CC(F)F;GZXHMEIAPRCEQA-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344115;MM344115;C=C(C)CCC1(CF)CN1;FIRDIMFZMRMGTG-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344116;MM344116;C#CCC=CC(O)CC#C;HYTHNFRTGFPECD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344117;MM344117;C=CN(C=NC(=N)N)N=C;PZYQMOOGRGKSME-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344118;MM344118;CCC1(CCC(=N)N)CN1;JNEKNJOFNIAHQS-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344119;MM344119;C=NN(C=N)C=NC(=N)N;VMDDVOJDNVSEFV-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344120;MM344120;NCC1(CCC(N)=O)CN1;VVXGOYWHYMLXQU-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344121;MM344121;C=CC(CO)=C(C)C(C)C;OKWGRDWZHPGKCP-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344122;MM344122;C=C(F)CCC1(CN)CN1;NOLWEXSKWZLPQC-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344123;MM344123;C=NN(C=O)C=NC(N)=O;MQQJJJSHNZWZRR-UHFFFAOYSA-N;142.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344124;MM344124;CCC1(CNC(C)=N)CN1;MRFRWAFDVUFQHY-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344125;MM344125;C=CN(C=O)N=CC(=C)C;UWXWZNVPVQDFQB-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344126;MM344126;CC(=N)NCC1(CN)CN1;NZAFOGWGPJCBJJ-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344127;MM344127;CC(C)C(O)CC#CC#N;RPBSYJMXRYCRNP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344128;MM344128;CC(=N)NCC1(CO)CN1;JFFGUSAKIMRDAB-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344129;MM344129;CC(=O)NCC1(CN)CN1;VXPPMHGWUIGYHS-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344130;MM344130;C=CN(C=O)N=CC(=N)N;QQMGWWWSLPJOHI-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344131;MM344131;C#CCC(=CC)C1CC1O;BBAYCELVUGNCOU-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344132;MM344132;N=CN(C=O)N=CC(=N)N;RYGPUJOHHYFZJP-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344133;MM344133;CCC1(CNC(=N)N)CN1;WMYLVQPESZRJJG-UHFFFAOYSA-N;142.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344134;MM344134;N=C(N)C=NN(C=O)C=O;ITAQCLKQBRTTOC-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344135;MM344135;N=C(N)NCC1(CN)CN1;WRJDTLLVYPBLSR-UHFFFAOYSA-N;143.19;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344136;MM344136;C=CN(C=O)N=CC(N)=O;WLSWQAYRFUYVRT-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344137;MM344137;N=C(N)NCC1(CO)CN1;SUCYYQHZFYHRAT-UHFFFAOYSA-N;144.18;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344138;MM344138;C=CC#CC=C(C)C(C)O;JFIRAVNLKVEDQQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344139;MM344139;N=C(N)NCC1(CF)CN1;KXSKBRZNWNVFPV-UHFFFAOYSA-N;146.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344140;MM344140;N=CN(C=O)N=CC(N)=O;BAGGVSLQSNYOSV-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344141;MM344141;C=C(C)OCC1(CN)CN1;XDPLUDJYMGGYBO-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344142;MM344142;NC(=O)C=NN(C=O)C=O;ZGAOAKYXBHIYSE-UHFFFAOYSA-N;143.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344143;MM344143;C#CC(C=C)C1CC1CO;LMHIAKVIQBXZCQ-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344144;MM344144;O=CN=CN(O)CC(=O)O;OSHAJUYNLLDXHF-UHFFFAOYSA-N;146.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344145;MM344145;CC(=O)OCC1(CN)CN1;GYJDISHRNYVRGN-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344146;MM344146;C=C(OC=CCO)C(=O)O;OQOBOOHEMFPSHH-UHFFFAOYSA-N;144.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344147;MM344147;C#CC(C#N)N1C(C)C1C;DAAUYGDMKNPFIC-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344148;MM344148;C=NN=CC(=O)O;NUAMQWCVYLPKDM-UHFFFAOYSA-N;100.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344149;MM344149;CC(=O)OCC1(CF)CN1;FFIHKXKQYCWRJU-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344150;MM344150;C#CC(C=C)C=CC(=C)C;GHQDEBJOMFRUBS-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344151;MM344151;CCC1(COC(=N)N)CN1;WRLIDXSXWNHHOU-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344152;MM344152;C#CC(C=O)C=CC(=C)C;TWWBLXGCXQOMKX-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344153;MM344153;N=C(N)OCC1(CN)CN1;VAOLHYBAJROLMF-UHFFFAOYSA-N;144.18;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344154;MM344154;C#CC(C#N)C=CC(C)=O;XTTPUVDJUYTDGA-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344155;MM344155;C#CC(C=C)C=CC(=O)O;PVPPMAROULOUTP-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344156;MM344156;N=C(N)OCC1(CO)CN1;WMDZGNOMJWHRRD-UHFFFAOYSA-N;145.16;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344157;MM344157;NCC1(COC(N)=O)CN1;DBDQAWDJUPGERG-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344158;MM344158;C#CC(C#N)C=CC(=O)O;SPUSRYVDNKFLHK-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344159;MM344159;C=C(CO)C(C)(C)C;RQLYDIRJVONUSE-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344160;MM344160;C#CC(C=C)C=CC(=C)F;XQMOMXLQTZQVFD-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344161;MM344161;C#CC(C#C)C=CC(=C)C;KGQZYTDOWWKNMM-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344162;MM344162;C=C(C)CCC1(CC)CO1;PLFJIRRZFQCZJA-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344163;MM344163;C#CC(C#C)C=CC(C)=O;ZROIXMWNMBZTLO-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344164;MM344164;C=C(C)CCC1(CN)CO1;JCVFAGIPLHXYAA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344165;MM344165;C#CC(C#C)C=CC(=N)N;ZRMNEEMDNFNSEZ-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344166;MM344166;CCC1(CCC(C)=O)CO1;AMDODHCVRGWVOZ-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344167;MM344167;CC(=O)C1NC1(C#N)CF;CIGOXLCSQFZPSS-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344168;MM344168;CCC1(CCC(=N)N)CO1;XNTJSPSCMZJEOX-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344169;MM344169;C#CC(C#C)C=CC(=O)O;MXHUIFBNFVFSNL-UHFFFAOYSA-N;134.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344170;MM344170;N=C(N)CCC1(CN)CO1;UBXRPAPPSXQGOF-UHFFFAOYSA-N;143.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344171;MM344171;C#CC(C#C)C=CC(=C)F;NEQYQCFEJSUQHT-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344172;MM344172;Nc1cc(CF)on1;IXIUGGQOSDCGTQ-UHFFFAOYSA-N;116.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344173;MM344173;CC=C(C=CC(C)C)CC;ZOUCVTGKOFYNRE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344174;MM344174;NCC1(CCC(N)=O)CO1;UXWAWSIMSPPTCW-UHFFFAOYSA-N;144.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344175;MM344175;CCC(C=CC(C)C)=CF;LTYXXVUYMQFVKK-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344176;MM344176;NC(=O)CCC1(CO)CO1;RMAYOHMJYVYBSF-UHFFFAOYSA-N;145.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344177;MM344177;CC=C(C=CC(C)C)CN;UMUQWTVQAXZTGZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344178;MM344178;CC(C(=O)O)N(O)C=O;XSGZBEAQSXKYJO-UHFFFAOYSA-N;133.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344179;MM344179;CC(C)C=CC(=CF)CN;WWIUZPOPAKRWJN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344180;MM344180;C=C(F)CCC1(CO)CO1;VTNNJVQBZSNDNI-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344181;MM344181;CC=C(C=CC(C)C)CO;RKFACZAJKPBMQH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344182;MM344182;CCC1(CNC(C)=N)CO1;HJBDGFRNMSITDX-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344183;MM344183;CC(C)C=CC(=CF)CO;UHHFUJLMBSQPAA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344184;MM344184;CC(=N)NCC1(CN)CO1;BHVVWWVHALVLGX-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344185;MM344185;CC(=N)NCC1(CO)CO1;UIERRGIAHCZYMZ-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344186;MM344186;CC=C(C=CC(C)C)CF;RDAMUVDUKHJABV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344187;MM344187;CCC1(CNC(C)=O)CO1;MJPWVPIGBMLCKY-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344188;MM344188;CC=C(C=CC(C)N)CC;VPNIOQGIAMYFNT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344189;MM344189;CC(=O)NCC1(CO)CO1;OXRPRSUUDHKUJT-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344190;MM344190;CCC(C=CC(C)N)=CF;ULGHJCUFPGXGPV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344191;MM344191;N=C(N)NCC1(CN)CO1;XZYCNRWJGSRLTP-UHFFFAOYSA-N;144.18;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344192;MM344192;CC=C(C=CC(C)N)CO;XHWUMHVFLBVWKB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344193;MM344193;N=C(N)NCC1(CO)CO1;BSKTZBVEICBRKA-UHFFFAOYSA-N;145.16;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344194;MM344194;CC(N)C=CC(=CF)CF;XLWPIELIQHBZNQ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344195;MM344195;N=C(N)NCC1(CF)CO1;RMABHVQROMCURA-UHFFFAOYSA-N;147.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344196;MM344196;CN(C=CC#N)CCC=O;LTXQTUZOVHMTOI-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344197;MM344197;C=C(C)OCC1(CC)CO1;OMWNZTMPONQULX-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344198;MM344198;CC=C(C=CC(C)O)CN;XPZUYFYUBWEIDK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344199;MM344199;C=C(C)OCC1(CN)CO1;UPJNMKBTUOXQID-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344200;MM344200;CC=NN=C(C)C(C)C=O;FLBPJGDSWFTHPH-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344201;MM344201;C=C(C)OCC1(CO)CO1;HQIFLRHTJJDQTB-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344202;MM344202;N=c1nc(NN)c(F)no1;ZPEYODGMRZMSCG-UHFFFAOYSA-N;145.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344203;MM344203;CCC1(COC(C)=O)CO1;STPZOUMUHBVTDM-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344204;MM344204;CC=C(C=CC(C)F)CC;KOKDSAHJYSUVQX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344205;MM344205;CC(=O)OCC1(CN)CO1;FWSZLFDOIPOEIT-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344206;MM344206;CCC(C=CC(C)F)=CF;WNJHKYZHBFILDM-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344207;MM344207;CC(=O)OCC1(CO)CO1;LNHOZEWDVQUIHR-UHFFFAOYSA-N;146.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344208;MM344208;CC=C(C=CC(C)F)CN;RJCJYGTUERYNNH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344209;MM344209;CCC1(COC(=N)N)CO1;LQNIRHPEHGJKMT-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344210;MM344210;CC(F)C=CC(=CF)CN;DBOCFPVQFOYKEM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344211;MM344211;N=C(N)OCC1(CO)CO1;WXAAAJKXTYRNTR-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344212;MM344212;CC(F)C=CC(=CF)CF;OFFIJWWZOGENSM-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344213;MM344213;N=C(N)OCC1(CF)CO1;CZPDXNSQEKWMFI-UHFFFAOYSA-N;148.14;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344214;MM344214;CCC(C=CC(C)C)=NN;UMJDTCBEPUNIEV-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344215;MM344215;CCC1(COC(N)=O)CO1;UWMSNLFRDRHYFY-UHFFFAOYSA-N;145.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344216;MM344216;CN=C(C#N)NCCC=O;KPRXJOJBEYHUHE-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344217;MM344217;NC(=O)OCC1(CO)CO1;SRSOSLPGDDCZNB-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344218;MM344218;CC(C)C=CC(CN)=NO;DYGTXDZBJYDDIN-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344219;MM344219;NC(=O)OCC1(CF)CO1;ZJWNLTXDCYKRAL-UHFFFAOYSA-N;149.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344220;MM344220;CC(C)C=CC(CF)=NN;YQRJNDMJJHXRFL-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344221;MM344221;C=CC1(CCC(=C)C)CC1;OCMPCQNTKMPINO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344222;MM344222;CCC(C=CC(C)O)=NO;OBGVIVIAXNUMMS-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344223;MM344223;C=C(C)CCC1(C=O)CC1;KLKXUJXZPGJDJS-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344224;MM344224;CC(F)C=CC(CN)=NO;IEYRAUJJTFUTLP-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344225;MM344225;C=C(C)CCC1(C#N)CC1;UBTJVIDUZVLAMH-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344226;MM344226;C#CC(CF)C(C)CCO;URFJSTFGAKAESO-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344227;MM344227;C=CC1(CCC(C)=O)CC1;WCXYBWNAFJIFLI-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344228;MM344228;CC(F)C=CC(CO)=NO;VANSKAXSJVDUBM-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344229;MM344229;CC(=O)CCC1(C#N)CC1;PRTKRCDPAFDLRE-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344230;MM344230;CN=C(C=CC(C)C)NC;BUGCZNHESSNQIN-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344231;MM344231;C=CC1(CCC(=N)N)CC1;KILNMTVMSVGGBG-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344232;MM344232;CN=C(C=CC(C)C)NN;FBFLDXJRTYZPPP-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344233;MM344233;N=C(N)CCC1(C=O)CC1;VOWSTCGNWBJMEN-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344234;MM344234;CCC1C=C(CO)C(C)C1;AHRGPGLVHXBKRG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344235;MM344235;N#CC1(CCC(=N)N)CC1;URTJMMQBODZVDP-UHFFFAOYSA-N;137.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344236;MM344236;CC(C)C=CC(=NO)NO;YARRJCZVJHEECC-UHFFFAOYSA-N;144.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344237;MM344237;C=C(C)C1CC1CO;XJPSDBOLOVMYCP-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344238;MM344238;CN=C(C=CC(C)N)NO;RYORWXPFYGXDJB-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344239;MM344239;C#CC(CO)C1CC1;XVYMTVUJKVQVGY-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344240;MM344240;CC(N)C=CC(=NO)NO;ANTVLMOTVGDOAF-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344241;MM344241;N#CC1(CCC(N)=O)CC1;SXGPBJZLYAMKHG-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344242;MM344242;CN=C(C=CC(C)O)NC;DLCZSCJZWLXLJL-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344243;MM344243;C=CC1(CCC(=O)O)CC1;CLJYUQUQDHKEHM-UHFFFAOYSA-N;140.18;1.82;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344244;MM344244;CN1NC2(C#N)CC2C1=O;SMAAYPKOUDPJGB-UHFFFAOYSA-N;137.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344245;MM344245;O=C(O)Cc1coc(=O)o1;BDOXJBWIAGFKQO-UHFFFAOYSA-N;144.08;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344246;MM344246;CN=C(C=CC(C)F)NC;KAELZPXGRAYGLI-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344247;MM344247;N#CC1(CCC(=O)O)CC1;JSTPSYXDTATHNX-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344248;MM344248;CCC1CC=C(CO)C1C;BRCROAASPUHDDJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344249;MM344249;C=CC1(CCC(=C)F)CC1;HDDFEVNCQGWIKU-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344250;MM344250;CC=C(C=CC(C)C)OC;QJERPOZWAACBFH-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344251;MM344251;C=C(F)CCC1(C=O)CC1;SNEITSUCIKVMGE-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344252;MM344252;COC(C=CC(C)C)=CF;KHXAGLDTEKWKPZ-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344253;MM344253;C=C(F)CCC1(C#N)CC1;GFLAQFCOVVVIML-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344254;MM344254;CC=C(C=CC(C)N)OC;BEOGTJZDCZCTJR-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344255;MM344255;C=CC1(CNC(C)=N)CC1;BINUOYMKRSBXPQ-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344256;MM344256;CC=C(C=CC(C)O)OC;FRVXTHSWCZTZJU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344257;MM344257;CC(=N)NCC1(C=O)CC1;ZCYYWEBSDMGSLL-UHFFFAOYSA-N;140.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344258;MM344258;COC(C=CC(C)O)=NO;KHUYERFVIUFPAY-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344259;MM344259;CC(=N)NCC1(C#N)CC1;WUIDFFNZKFQJSB-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344260;MM344260;CC=C(C=NN(C)C)CC;VVHTWXUAAMSRCF-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344261;MM344261;C=CCC(C)=CC(C)O;YWEAYCCRTCSWMI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344262;MM344262;CCC(C=NN(C)C)=CF;GJXCNLSAMNJOCC-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344263;MM344263;CC(=O)NCC1(C#N)CC1;ISVUPTYMRIQXNY-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344264;MM344264;CC1C(CO)=CCC1CF;YMUNCMGZSUFQNW-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344265;MM344265;C=CC1(CNC(=N)N)CC1;OPYFNWBZZOUCOB-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344266;MM344266;CC=C(C=NN(C)C)CF;ASALYBZDVSTFSH-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344267;MM344267;N=C(N)NCC1(C=O)CC1;SXYCNVJTSKLLNP-UHFFFAOYSA-N;141.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344268;MM344268;CCC(C=NN(C)C)=NO;GNKRCUPLWVDNIX-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344269;MM344269;N#CC1(CNC(=N)N)CC1;KUCVEQICBUHYFH-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344270;MM344270;CCC1CCC(CO)=C1C;CIHRUVWYOUKWLY-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344271;MM344271;C=CC1(CNC(N)=O)CC1;WFTTTZNNUVRDHT-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344272;MM344272;CN=C(C=NN(C)C)NC;CDKWGEXEBKXPLP-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344273;MM344273;NC(=O)NCC1(C=O)CC1;XVLVAWDIKOXHFI-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344274;MM344274;CC1=C(CO)CCC1CO;IBTYHXAPJVPFGL-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344275;MM344275;N#CC1(CNC(N)=O)CC1;NWCZKBJMPFNUNT-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344276;MM344276;CC1=C(CO)C=CC1=CF;IFYKFQQSMOLUEE-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344277;MM344277;C=CC1(COC(=C)C)CC1;NHGACTZMSWBPLQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344278;MM344278;CN(C)N=CC(=NO)NO;DWFHMDCKWISEJW-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344279;MM344279;C=C(C)OCC1(C=O)CC1;QRKSRICCDQLXSK-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344280;MM344280;CC=C(C=NN(C)C)OC;DPKCFJGVHPCYML-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344281;MM344281;C=C(C)OCC1(C#N)CC1;FZORETWRQLFVIZ-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344282;MM344282;COC(C=NN(C)C)=CN;GRDOCIGNCLBGCK-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344283;MM344283;C=CC1(COC(C)=O)CC1;ZWQYXORCIVZKQN-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344284;MM344284;COC(C=NN(C)C)=CF;OVTNNAACICFKOT-UHFFFAOYSA-N;146.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344285;MM344285;CC(=O)OCC1(C#N)CC1;YLWCJJGDBZAILV-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344286;MM344286;CC=C(CO)C1CC1CO;FKETXJXTTGZGHO-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344287;MM344287;C=CC1(COC(=N)N)CC1;WTEBCPMOESAMBD-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344288;MM344288;COC(C=NN(C)C)=NO;MXGNSCWTGWQMDH-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344289;MM344289;N=C(N)OCC1(C=O)CC1;XUFOWUNDPFPXAB-UHFFFAOYSA-N;142.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344290;MM344290;CN=C(CN)N=CN(C)C;SDEHNWKLHJECNI-UHFFFAOYSA-N;142.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344291;MM344291;N#CC1(COC(=N)N)CC1;ZYANXLPHAZJZRS-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344292;MM344292;C#CC#CCC1CC1CO;YSOOJWJDQGNEOH-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344293;MM344293;C=CC1(NCC(=C)C)CC1;ALZUNSZEVMWKTN-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344294;MM344294;C=C(C(=CC)CO)C1CC1;UANXGBWVDHTUSG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344295;MM344295;C=C(C)CNC1(C#N)CC1;ATMATOHKAFZCLJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344296;MM344296;C=CC(CO)=C(C)C1CC1;GNSSFDDCQOZWEO-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344297;MM344297;C#CC(C)=CC(C)CO;QBKIEIZRZNXRHK-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344298;MM344298;CCC(C)CCO;IWTBVKIGCDZRPL-UHFFFAOYSA-N;102.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344299;MM344299;C=CC1(NCC(=N)N)CC1;APYHQFDJRQPVJU-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344300;MM344300;CCc1noc(F)c1O;UZCHEJGILLLPRQ-UHFFFAOYSA-N;131.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344301;MM344301;N=C(N)CNC1(C=O)CC1;LWIGWIYXLMOWKL-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344302;MM344302;CNC(N=CN(C)C)=NN;POUZTBMVNJGALA-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344303;MM344303;N#CC1(NCC(=N)N)CC1;GCGDBXIGSZLBDJ-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344304;MM344304;CNC(N=CN(C)C)=NO;DMWVWOBESZAZQM-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344305;MM344305;COC=NNC(=N)CF;LAPHHNGTFHLSES-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344306;MM344306;CN=C(N=CN(C)C)NN;POUZTBMVNJGALA-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344307;MM344307;C=COC=C(OC)C(=O)O;WMOAZAOGPSHOCL-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344308;MM344308;CN(C)C=NC(=NN)NN;XQDMHYSHPUVTIP-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344309;MM344309;C=C(F)CNC1(C=O)CC1;SCJJHJNEDZBDRM-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344310;MM344310;CN(C)C=NC(=NO)NN;AQBKRDOIUNBMMV-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344311;MM344311;C=C(F)CNC1(C#N)CC1;ALSYGTVHCCBUSM-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344312;MM344312;CN=C(N=CN(C)C)NO;DMWVWOBESZAZQM-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344313;MM344313;C=CC1(NNC(C)=N)CC1;DDLKHBWFKBZJBF-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344314;MM344314;CN(C)C=NC(=NN)NO;AQBKRDOIUNBMMV-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344315;MM344315;CC(=N)NNC1(C=O)CC1;ATRLGMWGHULKBU-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344316;MM344316;CNC(N=CN(C)N)=NN;LLMSCIZEGZUGFU-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344317;MM344317;CC(=N)NNC1(C#N)CC1;IKDJYLPGTGEISK-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344318;MM344318;CCCC(C)CCO;YGZVAQICDGBHMD-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344319;MM344319;C=CC(=O)CC=NNC;OMEYPMFYXOBWHV-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344320;MM344320;C=CC(C=CC(C)C)=CC;GPKJRRFFFYUZHF-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344321;MM344321;CC(=O)NNC1(C=O)CC1;HHXQBQIJMVGXCJ-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344322;MM344322;C=CC(C=CC(C)C)=CF;VJSGJEUQFGIHRZ-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344323;MM344323;CC(=O)NNC1(C#N)CC1;KOKMIJOHLLRGDP-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344324;MM344324;CC=C(C=O)C=CC(C)C;SCDJXFWNKHZWAS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344325;MM344325;C=CC1(NNC(=N)N)CC1;HJTUZYHOELTGRY-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344326;MM344326;CC=C(C#N)C=CC(C)C;HUWUKNHUFKCPFF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344327;MM344327;N=C(N)NNC1(C=O)CC1;JSRPAGILMZDPLT-UHFFFAOYSA-N;142.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344328;MM344328;CC(C)C=CC(C=O)=CN;XFPHWMKZYHNSGH-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344329;MM344329;N#CC1(NNC(=N)N)CC1;JAATYEJKDXEHBJ-UHFFFAOYSA-N;139.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344330;MM344330;CC(C)C=CC(C#N)=CN;ZNFOPBRWARFJLF-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344331;MM344331;CC#CC=CC(O)CC;IXFNUHXGXIBWLN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344332;MM344332;CC(C)C=CC(C=O)=CF;HIWCNGQENXBOEU-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344333;MM344333;NC(=O)NNC1(C=O)CC1;NDLMYLSISFDINS-UHFFFAOYSA-N;143.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344334;MM344334;CC(C)C=CC(C#N)=CF;YMPVTZOKKSOGSK-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344335;MM344335;N#CC1(NNC(N)=O)CC1;YOOUGRVLOIGTQC-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344336;MM344336;C=CC1(OCC(=C)C)CC1;BGYUVARGCDXXGU-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344337;MM344337;C=CC(C=CC(C)N)=CC;GNOUETZMPMMKHY-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344338;MM344338;C=C(C)COC1(C=O)CC1;XPUYSUOLLZSVMR-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344339;MM344339;C=CCC(=C)CCO;XAQGISOYQLXFQB-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344340;MM344340;C=C(C)COC1(C#N)CC1;HHFRQHADGMSBKV-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344341;MM344341;C=CC=C(C)CCO;JQLHPZVSICDDQT-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344342;MM344342;C=CC1(OCC(C)=O)CC1;GEDKUMIHTXZMCF-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344343;MM344343;C=C(C)CC1CC1O;KZAMZVZUKGVGSS-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344344;MM344344;CC(=O)COC1(C#N)CC1;XBOQWHWEFHLSEU-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344345;MM344345;CC=C(C#N)C=CC(C)O;BBFKZCPAPCZDGR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344346;MM344346;C=CC1(OCC(=N)N)CC1;OQJYVOKNTIDSCU-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344347;MM344347;CCC(C)(C)CC(N)=O;GTEXJHWORUNPND-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344348;MM344348;N=C(N)COC1(C=O)CC1;HQGUVQCEIPOBNX-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344349;MM344349;CC(C)C(C)CC(N)=O;ZCIBWPMAYDXGDU-UHFFFAOYSA-N;129.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344350;MM344350;N#CC1(OCC(=N)N)CC1;RGVMLGPKYKMMFY-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344351;MM344351;CC(O)C=CC(C#N)=CF;UOULMTCFKKLQLB-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344352;MM344352;C=CC1(OCC(N)=O)CC1;YWAUPYDTTWTPEJ-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344353;MM344353;CC=C(C=O)C=CC(C)F;BPGNLDXLPJFWRM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344354;MM344354;NC(=O)COC1(C=O)CC1;PHDXAOJPPLZWTF-UHFFFAOYSA-N;143.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344355;MM344355;CC=C(C#N)C=CC(C)F;HEHPZUGMHWHKCG-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344356;MM344356;N#CC1(OCC(N)=O)CC1;HMIWFJUAHQIHJX-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344357;MM344357;CC(F)C=CC(C#N)=CN;WEGARRMSLGULPQ-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344358;MM344358;O=C(CF)NOCCF;KIPVDKALQKIKKK-UHFFFAOYSA-N;139.1;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344359;MM344359;CC(F)C=CC(C#N)=CF;GQCLWFFWZZYZNB-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344360;MM344360;C=C(C=O)C(O)C(=O)O;DMPHGNOJHJUGDB-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344361;MM344361;O=CC(C=CC(F)F)=CF;NHDBSJWEAYJVLA-UHFFFAOYSA-N;150.1;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344362;MM344362;C=CC1(OCC(=C)F)CC1;OGBAFPRANOGEST-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344363;MM344363;C=CC(C=CC(C)C)=NN;FUSAYALWZHPUTA-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344364;MM344364;C=C(F)COC1(C=O)CC1;DIELDRLYCZKQPT-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344365;MM344365;CC(=CC(C)O)C(C)C;GIJXLDGVXULPAS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344366;MM344366;C=C(F)COC1(C#N)CC1;RZWNLQOWFGZZTF-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344367;MM344367;C=CC(C=CC(C)F)=NN;DQKDTJFMPZUXSB-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344368;MM344368;C=CC1(ONC(C)=N)CC1;FMDCTGIOXGBTES-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344369;MM344369;N=C(C=O)N(O)CC(=O)O;XSUKBSVQJUDPIE-UHFFFAOYSA-N;146.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344370;MM344370;CC(=N)NOC1(C#N)CC1;ISVZCLKHFXCXHG-UHFFFAOYSA-N;139.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344371;MM344371;C=CC(C=NN(C)C)=CC;RVXHZAJVRGMTEL-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344372;MM344372;C=CC1(ONC(C)=O)CC1;LBBSARBKVDTKBI-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344373;MM344373;CC=C(C#N)C=NN(C)C;IGTGZNDQQCYKJN-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344374;MM344374;C=CC1(ONC(=N)N)CC1;WBBBXNVYFSGVIS-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344375;MM344375;CC(C)CC(C)CCO;WETBJXIDTZXCBL-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344376;MM344376;N=C(N)NOC1(C=O)CC1;NBXCDSIDQGZWSK-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344377;MM344377;CN(C)N=CC(C=O)=NO;LYLMRSLCHQMQRX-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344378;MM344378;N#CC1(ONC(=N)N)CC1;VXXCDEZVDAYKPC-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344379;MM344379;CC(F)CC(C)CCO;DONZZYXACAPGRQ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344380;MM344380;N#CC1(ONC(N)=O)CC1;HHJHADATDBIHLN-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344381;MM344381;C#CC(C=CC(C)C)=CC;PRKAUKZYXIKAQI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344382;MM344382;C=C(C)CCC1(C=O)CN1;VFZIQLRGVHTZFL-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344383;MM344383;C#CC(C=CC(C)C)=CF;HBGJPJLTAOCNGM-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344384;MM344384;C=C(C)CCC1(C#N)CN1;KWRFOZOQMNRUBT-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344385;MM344385;C#CC(C=CC(C)N)=CC;RSXYTYZJJGYXNS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344386;MM344386;Cc1nc(N)c(F)n1N;GHXCKVFAIDCYLZ-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344387;MM344387;C#CC(C=CC(C)N)=CF;IIXYSHHLBFVARW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344388;MM344388;C=C(CC)C1CC1CO;DLEKHGALPXSRIP-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344389;MM344389;CCCC(C)CC(N)=O;PFBUXLQVTTXUQM-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344390;MM344390;C=CC1(CCC(=N)N)CN1;HJIALZAXBIOHSA-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344391;MM344391;C#CC(C=CC(C)F)=CC;YVSWNSIQFQTJJM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344392;MM344392;N=C(N)CCC1(C=O)CN1;FVNUHWUQNJTRLN-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344393;MM344393;C#CC(C=CC(C)F)=CF;YRQSXJBOHHMWDD-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344394;MM344394;N#CC1(CCC(=N)N)CN1;ANHZFAHPCXZHPU-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344395;MM344395;C#CC(C=CC(C)C)=NO;RUPCEZKZZYRASZ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344396;MM344396;CC=C(C)C1CC1CO;XOVRYPSAAUFIBW-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344397;MM344397;C#CC(C=CC(C)F)=NN;CFBSKKWPMBMBDS-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344398;MM344398;CC(C=O)C1C(C)N1C;KFAAHWCEVUUVNK-UHFFFAOYSA-N;127.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344399;MM344399;C#CC(C=CC(F)F)=NO;QQVXOGANSUXPES-UHFFFAOYSA-N;145.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344400;MM344400;C#CC(OC)OCC(=O)O;JOSAAWWESHDPPP-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344401;MM344401;C#CC(C=NN(C)C)=CC;PHARXTAFKWWPOA-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344402;MM344402;CC(O)C(=O)OCC(=O)O;DZOXUIJDHVERIU-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344403;MM344403;C#CC(C=NN(C)C)=CF;XZNBZJCKKNEWGS-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344404;MM344404;C=C(F)CCC1(C=O)CN1;GOTXBJJBEXRMQN-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344405;MM344405;C=C(C)CC(=C)CCO;DGRMHXZNRJNJLQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344406;MM344406;C=C(F)CCC1(C#N)CN1;VUMSRGGAOFMZMO-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344407;MM344407;C=C(C)C=CC(=CC)CC;SCXBSIGQKGZHIY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344408;MM344408;C=CC1(CNC(C)=N)CN1;IHAVRSMRNBFHHC-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344409;MM344409;C=C(C)C=CC(=CC)CN;MWZBEZLQPBVXNV-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344410;MM344410;CC(=N)NCC1(C=O)CN1;OLBMBIXMOXDATA-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344411;MM344411;C=C(F)CC(=C)CCO;VYVNXEMLKMUTEQ-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344412;MM344412;CC(=N)NCC1(C#N)CN1;KYKYGOAVELHVEB-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344413;MM344413;C=C(C)C=CC(=CC)CF;JRJGZWMERVASAC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344414;MM344414;C#CCC(C)(C)C(=C)CO;RVLRFWOQJSKTCP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344415;MM344415;C=C(C)C=CC(=CF)CF;IWCZEIIDJHDRDW-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344416;MM344416;C=CCC#CC(C)(C)CO;TWXSNDVRZFLIJL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344417;MM344417;CC=C(C=CC(C)=O)CC;MUPDDRMHNWVYNG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344418;MM344418;C=CC1(CNC(=N)N)CN1;DVPNOAFERQHRQM-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344419;MM344419;CCC(C=CC(C)=O)=CF;JULSHHURASSVKJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344420;MM344420;N=C(N)NCC1(C=O)CN1;QTNBPLLVJYVXRF-UHFFFAOYSA-N;142.16;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344421;MM344421;CCC(CC)CC(N)=O;QDWYZRNZJUNDJO-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344422;MM344422;N#CC1(CNC(=N)N)CN1;QQEBIRMLILQFQG-UHFFFAOYSA-N;139.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344423;MM344423;CC=C(C=CC(C)=O)CF;PWPSMTHAMFLLSL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344424;MM344424;C=COC(=O)CC(C)=NN;LUJFWHVPPHMEMD-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344425;MM344425;CC(=O)C=CC(=CF)CF;XOPCKLWQUNMBMN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344426;MM344426;C#CCC(C=C)=CC(C)O;UYFJFAUXBZGNIR-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344427;MM344427;CC=C(C=CC(=N)N)CC;BYQNGBMLSWKAJX-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344428;MM344428;C=CC1(COC(=C)C)CN1;YLQHYGPAUKMRFI-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344429;MM344429;CC=C(C=CC(=N)N)CN;KEZYJYKAYFSUCV-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344430;MM344430;C=C(C)OCC1(C=O)CN1;ZAKWNJXXJKYZCZ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344431;MM344431;CC=C(C=CC(N)=O)CN;SNRDIELRFMVXOT-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344432;MM344432;C=C(C)OCC1(C#N)CN1;RXFQMXRQDSHMQB-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344433;MM344433;CC=C(C=CC(=O)O)CC;ONRFQULGRIAPJL-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344434;MM344434;CC(=O)OCC1(C=O)CN1;RHGHPWZZXKHBKG-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344435;MM344435;C=Nn1[nH]cc(O)c1=O;PJQAPEBJUGMEDY-UHFFFAOYSA-N;127.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344436;MM344436;CC(=O)OCC1(C#N)CN1;WOAUGOJHOITZJY-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344437;MM344437;O=C(O)C=CC(=CF)CF;RMELHNWOYPPTOD-UHFFFAOYSA-N;148.11;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344438;MM344438;C=CC1(COC(=N)N)CN1;GIUZHFXQRXBTOX-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344439;MM344439;C=C(F)C=CC(=CC)CC;RDJQHMLUMUXDOF-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344440;MM344440;N#CC1(COC(=N)N)CN1;UOGYMLSBYHCLNH-UHFFFAOYSA-N;140.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344441;MM344441;C=C(F)C=CC(=CC)CN;BYQHGVQXPGBFAI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344442;MM344442;CC(C)C1=CC(C)(O)C=C1;JBESZXVDNWIRDJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344443;MM344443;C=C(F)C=CC(=CF)CN;BDEPQOXRWOUWQC-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344444;MM344444;C=CC1(CCC(=C)C)CO1;INANCPUVEGOCJC-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344445;MM344445;C=C(C)CCC1(C#N)CO1;AITRJFKZTCDUII-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344446;MM344446;CCC(=CC(C)O)CC;SINQEOZGETWQLT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344447;MM344447;C=CC1(CCC(C)=O)CO1;JCZUZZBTKOUOCL-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344448;MM344448;C=C(F)C=CC(=CF)CO;ARDOWUJZXCXZJI-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344449;MM344449;CC(=O)CCC1(C#N)CO1;YEFAXVKSQWLZGH-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344450;MM344450;C=C(C)C=CC(CC)=NN;JFNHYYUPIGFHFJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344451;MM344451;C=CC1(CCC(=N)N)CO1;DEVAMVNUSLALNH-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344452;MM344452;C=C(CC=CC)CCO;JUOLZXAPBYZDCG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344453;MM344453;N=C(N)CCC1(C=O)CO1;YHJMXCLSOVVHQP-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344454;MM344454;C=C(C)C=CC(CO)=NO;RXPKLRDDJBRJLJ-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344455;MM344455;N#CC1(CCC(=N)N)CO1;QXRZVQQXWCKHRV-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344456;MM344456;CCC(C=CC(C)=O)=NO;KGXXOWORXAMBQY-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344457;MM344457;C=CC#CCC(=C)C(C)O;CIWLNQJAKDLPJS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344458;MM344458;C=C(CC=NN)CCO;HOCIIEKFOMNRSE-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344459;MM344459;NC(=O)CCC1(C=O)CO1;CQFZSQOQNAQFLT-UHFFFAOYSA-N;143.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344460;MM344460;C=C(C)C=CC(=NC)NC;DVVGUIQGRHCUQP-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344461;MM344461;N#CC1(CCC(N)=O)CO1;LKTQUZQVFRQINQ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344462;MM344462;C=C(C)C=CC(=NC)NO;SUAXEDOULUYNIG-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344463;MM344463;O=C1OC(=CO)C=C1O;VCIYTKZPLSCYNH-UHFFFAOYSA-N;128.08;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344464;MM344464;CN=C(C=CC(=N)N)NN;LGCKKBPLVNQHAZ-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344465;MM344465;Cc1c(C#N)noc1O;NBOUHXHLCUTBHX-UHFFFAOYSA-N;124.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344466;MM344466;CN=C(C=CC(=N)N)NO;SFCOSHPNIQPVFE-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344467;MM344467;C=CC1(CCC(=C)F)CO1;UVZNLHNHBLIXBS-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344468;MM344468;N=C(N)C=CC(=NN)NO;VZVKNPGNRTWGIU-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344469;MM344469;C=C(F)CCC1(C=O)CO1;BEAVBUKMUSPHOI-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344470;MM344470;N=C(N)C=CC(=NO)NO;OXOKSCYKCXXFCQ-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344471;MM344471;C=C(F)CCC1(C#N)CO1;BWHLVGOXENAQID-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344472;MM344472;C=C(CCC#N)C(C)O;JVTXHBMNFHXZOK-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344473;MM344473;C=CC1(CNC(C)=N)CO1;UWIKRILKKWNJIY-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344474;MM344474;NC(=O)C=CC(=NO)NO;MUAYYVMNSGQULY-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344475;MM344475;CC(=N)NCC1(C=O)CO1;CWJAHUBBNFTQBT-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344476;MM344476;CC(=CF)N=C(N)C(=O)O;RBMASRACXSUKKN-UHFFFAOYSA-N;146.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344477;MM344477;CC(=N)NCC1(C#N)CO1;BXXMLHZPEDUOAR-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344478;MM344478;C#CC(=C)C(C)CCO;LCGOTJSCDGSMAT-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344479;MM344479;C=CC1(CNC(C)=O)CO1;VMUQOKYKIDLUMZ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344480;MM344480;C=C(F)C=CC(=NO)NO;XXKCPZBTMLFCLM-UHFFFAOYSA-N;146.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344481;MM344481;CC(=O)NCC1(C=O)CO1;ZTPVSRFSQACRHN-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344482;MM344482;C=C(C)C=CC(=CC)OC;USNXVRFLVOLQOP-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344483;MM344483;CC(=O)NCC1(C#N)CO1;LPNOYPKNAUOPMU-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344484;MM344484;C=C(C)C=CC(=CF)OC;SEOYQTUZLMIMBK-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344485;MM344485;C=CC1(CNC(=N)N)CO1;BNVBTLNEDUJCRQ-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344486;MM344486;CC=C(C=CC(C)=O)OC;ZPQOLMACIKNKHG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344487;MM344487;N=C(N)NCC1(C=O)CO1;PHVWKPXOFSWSHV-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344488;MM344488;CC=C(C=CC(=N)N)OC;CZUQQLNCNQEVAP-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344489;MM344489;N#CC1(CNC(=N)N)CO1;NDLNEOQUMCGXML-UHFFFAOYSA-N;140.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344490;MM344490;C=NN(C)C(=O)COC;BOGPSRVGCGNIJW-UHFFFAOYSA-N;130.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344491;MM344491;C=CC1(COC(=C)C)CO1;DHDAMGIRJRVTAU-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344492;MM344492;C#CCC(CC)CCO;OFINVOOYGSFHMC-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344493;MM344493;C=C(C)OCC1(C=O)CO1;IGBXIDVLQWKLNI-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344494;MM344494;C=NN(C=O)CC(=O)O;ZBEDRGWDNKGXKQ-UHFFFAOYSA-N;130.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344495;MM344495;C=C(C)OCC1(C#N)CO1;PSFSGVOKIFZEJD-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344496;MM344496;C=C(F)C=CC(=CC)OC;LHEWFEFZYKJBIY-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344497;MM344497;C=CC1(COC(C)=O)CO1;NPWZHGGGKGJLIM-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344498;MM344498;COC(C=CC(=N)N)=NN;BPVXWFURLWBGHO-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344499;MM344499;CC(=O)OCC1(C#N)CO1;HAOJFUDCIDALRQ-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344500;MM344500;COC(C=CC(N)=O)=NO;JXVWXGKZIUABMC-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344501;MM344501;C=CC1(COC(=N)N)CO1;AXPSGBAEPFSRNM-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344502;MM344502;C=CC(C=CC(=C)C)=CC;FYBDIKRXSLJQLK-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344503;MM344503;N#CC1(COC(=N)N)CO1;CHVNZXCUFFOJRG-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344504;MM344504;C=CC(C=CC(=C)C)=CF;IABQHGHKTIVMOO-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344505;MM344505;C=CC1(COC(N)=O)CO1;FXIPUSLJPDCYMI-UHFFFAOYSA-N;143.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344506;MM344506;C=C(C)C=CC(C=O)=CC;YXGPONDVJVMAOO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344507;MM344507;NC(=O)OCC1(C=O)CO1;XDYJMLDCKFKWGG-UHFFFAOYSA-N;145.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344508;MM344508;C=C(C)C=CC(C#N)=CC;XTILXFKVMKOQMM-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344509;MM344509;C#CC1(CCC(=C)C)CC1;NHQBJNNORVOIDV-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344510;MM344510;C=C(C)C=CC(C=O)=CN;BIEVYALENBMWPL-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344511;MM344511;C#CC1(CCC(C)=O)CC1;WXAUJPOKWZAPDG-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344512;MM344512;C=C(C)C=CC(C#N)=CN;YXPUDDFBUICMIJ-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344513;MM344513;C#CC1(CCC(=N)N)CC1;WMIBRCQCICXUHM-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344514;MM344514;C=C(C)C=CC(C=O)=CF;RAMYQGMNHXPXTF-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344515;MM344515;C=C(C)C=CC(C#N)=CF;ZNVGSUOTUGJQHI-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344516;MM344516;C=C(C)C(CC=O)CCO;CCTLWIOCAVSPLW-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344517;MM344517;C=CC(C=CC(C)=O)=CC;ARIUMIXCAWLSAP-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344518;MM344518;C#CC1(CCC(=O)O)CC1;XPTQMMRXQZBSEP-UHFFFAOYSA-N;138.17;1.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344519;MM344519;C=CC(C=CC(C)=O)=CF;UVQQLEXAJFDZFQ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344520;MM344520;C#CC1(CCC(=C)F)CC1;XNRIZEFQCINFNR-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344521;MM344521;CC=C(C#N)C=CC(C)=O;MNCSZKDZNWHFGC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344522;MM344522;C#CC1(CNC(C)=N)CC1;MGHMFBKXIKZNAI-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344523;MM344523;CC(=O)C=CC(C=O)=CN;SQECRAHZXRSKPD-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344524;MM344524;C#CC1(CNC(C)=O)CC1;AMFMEIBKGYVTOR-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344525;MM344525;C#CC1(CNC(=N)N)CC1;PQJBZTJTXIILTP-UHFFFAOYSA-N;137.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344526;MM344526;C=CC(C=CC(=N)N)=CC;IWZLANWOHRBUKF-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344527;MM344527;C#CC1(CNC(N)=O)CC1;HBBACSRVSIYQMG-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344528;MM344528;N#CC(C=CC(=N)N)=CN;CHKGRLGEGCJHPL-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344529;MM344529;C#CC1(COC(=C)C)CC1;RLNODKGJMLBDIY-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344530;MM344530;C=C(CC)CC1CC1O;WNNDXBNHACSVPM-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344531;MM344531;C#CC1(COC(C)=O)CC1;CNBABOFELVCHEG-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344532;MM344532;C=C(CF)CC1CC1O;JEDPBOSPWNTMAC-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344533;MM344533;C#CC1(NCC(=C)C)CC1;SWLRRIGZZFDOHN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344534;MM344534;CC=C(C)CC1CC1O;FOTOJENCKTYQRR-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344535;MM344535;C#CC1(NCC(=N)N)CC1;ONLSGNKCNJVFDK-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344536;MM344536;C=CC(C=CC(=O)O)=CC;OHIIBOAXVXUCSJ-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344537;MM344537;C#CC1(NNC(C)=N)CC1;BJAKAHSXFXXVKR-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344538;MM344538;C=CC(C=CC(=O)O)=CF;QLMLAFQRDIIEAQ-UHFFFAOYSA-N;142.13;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344539;MM344539;CC(C=O)CN=C(N)C=O;QOZTVIIQGWWZMD-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344540;MM344540;ON=c1nc(O)n(O)[nH]1;RPOUHSWHVITUDP-UHFFFAOYSA-N;132.08;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344541;MM344541;C#CC1(NNC(=N)N)CC1;UGKLQZYXGHCINM-UHFFFAOYSA-N;138.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344542;MM344542;CC=C(C#N)C=CC(=O)O;VQIRSXRIZNHBJO-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344543;MM344543;CC(CO)C1CC1(C)C#N;SCOVGMODXIFTHA-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344544;MM344544;C=CC(C=CC(=C)F)=CC;XPFQNZNGJCRBCM-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344545;MM344545;C#CC1(OCC(=C)C)CC1;WCMHMXIHDYOVAG-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344546;MM344546;C=CC(C=CC(=C)F)=CF;IIHSGBPPFXJKAR-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344547;MM344547;C#CC1(OCC(C)=O)CC1;WMKRNEYJJRBHKY-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344548;MM344548;C=C(F)C=CC(C#N)=CC;JDGOLLFIIYIKGA-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344549;MM344549;C#CC1(OCC(=N)N)CC1;JHPVHQWFARWJJM-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344550;MM344550;C=C(F)C=CC(C=O)=CN;SSRDROUUWYJMRK-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344551;MM344551;C#CC1(OCC(N)=O)CC1;ZKGDOOPWTZADIA-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344552;MM344552;C=C(F)C=CC(C#N)=CN;QDSNBNNSHLLUHG-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344553;MM344553;C#Cc1oc(=NN)oc1O;ZMPKBTHJVJCZFW-UHFFFAOYSA-N;140.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344554;MM344554;C=C(F)C=CC(C=O)=CF;GSEVTJCSINTPBX-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344555;MM344555;C#CC1(OCC(=C)F)CC1;VALGWZGXLSMELQ-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344556;MM344556;CC(=CF)CC1CC1O;ZJRVLFNPEBELDR-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344557;MM344557;C#CC1(ONC(C)=N)CC1;RUZGFLIFFYIJJN-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344558;MM344558;C=C(C)C=CC(C=O)=NO;JZCBELRATXEBOQ-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344559;MM344559;C#CC1(ONC(=N)N)CC1;NBWWCLVRYDADRK-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344560;MM344560;CC(=O)C=CC(C=O)=NO;AGGHLDFPCOOSBG-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344561;MM344561;C#CC1(CCC(=C)C)CN1;PKIAEYNDEZDGTA-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344562;MM344562;C=CC(C=CC(=N)N)=NO;RGOPJKJNXFOSNA-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344563;MM344563;CC1(C#N)CCC(CO)C1;CAIPOZZMZVUMKV-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344564;MM344564;NC(=O)C=CC(C=O)=NO;PCMSORKXDBAZGW-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344565;MM344565;CON=CNOCC(=O)O;UYXFVAUDBRJAMF-UHFFFAOYSA-N;148.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344566;MM344566;C#CC1(CCC(=N)N)CN1;UVTYVHQTLABFIM-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344567;MM344567;C=C(OC(C)C=O)C(=O)O;SBXYVGNNOCCOCB-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344568;MM344568;C#CC(=CC(C)CO)CC;FSNUJTHDNYLAEF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344569;MM344569;C=CC(C=CC(=C)F)=NN;OYYRZCNHNHSLHQ-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344570;MM344570;CC(C=O)ON=CC(=O)O;FGGLSHBCMUZDCC-UHFFFAOYSA-N;145.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344571;MM344571;C=CC(C=CC(=C)F)=NO;LVLTYDBRTDQTHB-UHFFFAOYSA-N;141.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344572;MM344572;C#CC1(CCC(=C)F)CN1;BXIWDAJKMDEZPC-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344573;MM344573;CON(C=O)CC(=O)O;WQIQBJZEIPYULC-UHFFFAOYSA-N;133.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344574;MM344574;C#CC1(CNC(C)=N)CN1;SGRKYRRFJJUGBS-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344575;MM344575;C#CC(C=CC(=C)C)=CC;WIVVFPXTUWDFTR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344576;MM344576;CC(C)(C#CC1CC1)CO;MAXHSTQMKDRINU-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344577;MM344577;C#CC(C=CC(=C)C)=CF;VJQLLECZQMGALT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344578;MM344578;C#CC1(CNC(=N)N)CN1;QRDACXVZXMVWAC-UHFFFAOYSA-N;138.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344579;MM344579;C#CC(C=CC(C)=O)=CC;DBWXJNAOYCVKDF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344580;MM344580;CNN=CN(C)OCC=O;RYJJWONSMBCFPK-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344581;MM344581;C#CC(C=CC(C)=O)=CF;BHLVWXDDUWMHLD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344582;MM344582;C#CC1(COC(=C)C)CN1;XIAQTVYWJCTVIM-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344583;MM344583;C#CC(C=CC(=N)N)=CC;KWDGRVIRUQJNIT-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344584;MM344584;C#CC1(COC(C)=O)CN1;RYRNDOUVAMVVJS-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344585;MM344585;C#CC(C=CC(=N)N)=CF;LCKXKEXRVQLNER-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344586;MM344586;C=CC#CC(=C)C(C)CO;OYQXWTPPOIXGEE-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344587;MM344587;C#CC=C1C=CC(O)C1;HOCRANCPAIDSRL-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344588;MM344588;C#CC1(CCC(=C)C)CO1;HEMCRSZXYOXUJN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344589;MM344589;C#CC(C=CC(=O)O)=CC;TXUPWNDSEKPXKM-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344590;MM344590;C#CC1(CCC(C)=O)CO1;QWXHAUQLGXQXRL-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344591;MM344591;C#CC(C=CC(=O)O)=CF;AWAZZWHXJFLWCY-UHFFFAOYSA-N;140.11;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344592;MM344592;C#CC1(CCC(=N)N)CO1;SOBOGLJRWGILOA-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344593;MM344593;C#CC(C=CC(=C)F)=CC;MOKSSJHFRUQGCB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344594;MM344594;C#CC1(CCC(N)=O)CO1;ZYGVZAMMLLURED-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344595;MM344595;C#CC(C=CC(=C)F)=CF;GXVWHUGJLMEFQB-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344596;MM344596;CCON=C(N)C(=O)O;MPHLHRSOUXUCMQ-UHFFFAOYSA-N;132.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344597;MM344597;C#CC(C=CC(=C)C)=NN;YKKKXHVKDYHDES-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344598;MM344598;C#CC1(CCC(=C)F)CO1;YEDASVLYQBHVIH-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344599;MM344599;C#CC(C=CC(=C)C)=NO;IZKNRFJOQVUBCX-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344600;MM344600;C#CC1(CNC(C)=N)CO1;AYKLQJQTFJJQLK-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344601;MM344601;C#CC(C=CC(=N)N)=NN;PYRWOQKJGNHRNO-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344602;MM344602;C#CC1(CNC(C)=O)CO1;DLCXGKAFTNBNFG-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344603;MM344603;CC(CCO)CC1CC1;KZNFZPDBOHTCPC-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344604;MM344604;C#CC1(CNC(=N)N)CO1;NQTDUMURJZHGLR-UHFFFAOYSA-N;139.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344605;MM344605;CN(CC(=O)O)C(=O)C=O;UNYNNMIYLBNUAY-UHFFFAOYSA-N;145.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344606;MM344606;C#CC1(COC(=C)C)CO1;QAFFKWLQBXQNHP-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344607;MM344607;C#CC(C=CC(=C)F)=NN;OAEXFKJZRBWIPE-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344608;MM344608;C#CC1(COC(C)=O)CO1;OALWETSDZZCOQA-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344609;MM344609;C#CC(C=CC(=C)F)=NO;MGQGKKNWSBZEJO-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344610;MM344610;C#CC1(COC(=N)N)CO1;DGDYTROJDPKQIW-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344611;MM344611;CCC(C#CC(C)C)CC;DMYXTHFCCNVIAO-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344612;MM344612;C#CC1(COC(N)=O)CO1;AJRCFTQZENXJCD-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344613;MM344613;CCC(C#CC(C)C)CN;GTJIBYZSUHUFLS-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344614;MM344614;CCC1(CC)CCC1(C)C;CWEVSEQGWHJWBR-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344615;MM344615;C#CC1=CC(=C)CC1O;YKLPRQRKTQHFOV-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344616;MM344616;CCC1(CN)CCC1(C)C;JUMDYNKRYQWFBQ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344617;MM344617;CCC(C#CC(C)C)CF;RAIHWZKNYGRHHA-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344618;MM344618;C=CC=NOCC(=O)CC;ORLQBUWQNHGRAZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344619;MM344619;CC(C)C#CC(CN)CF;JWOAYHACGDRIGJ-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344620;MM344620;CCC(C#CC(C)N)CC;OKISAXWLQURDNY-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344621;MM344621;CCC1(CC)CNC1(C)C;WGIOCCRWQTZBFJ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344622;MM344622;CCC(C#CC(C)N)CN;CCZRYXZOIUPZPL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344623;MM344623;CCC1(CO)CNC1(C)C;NDSQSWMKOKSPEF-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344624;MM344624;CCC(C#CC(C)N)CF;VPXIKUKBOBEEAH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344625;MM344625;CCC1(CC)COC1(C)C;PSVIHFFYDVSJES-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344626;MM344626;CC(N)C#CC(CN)CN;BHNPGXCUSSEKHZ-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344627;MM344627;CCC1(CN)COC1(C)C;OOKQZCILWVIJHP-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344628;MM344628;CC(N)C#CC(CN)CO;IROKPDKDNGYXSD-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344629;MM344629;CCC1(CN)NCC1(C)C;QOVYZRGFIQIDCZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344630;MM344630;CC(N)C#CC(CN)CF;ZDNFVNXQLXYHTO-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344631;MM344631;CCC1(CO)NCC1(C)C;VHZNUSZOLSVPKV-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344632;MM344632;CC(N)C#CC(CO)CO;GPZXLIXVOPDNSS-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344633;MM344633;CCC1(CN)OCC1(C)C;GCHVYTXCTLNGOV-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344634;MM344634;CCC(C#CC(C)O)CC;KHXRWFNIMJSGAR-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344635;MM344635;C=CC1(CN)COC1(C)C;ZETCVTILRONTIW-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344636;MM344636;CCC(C#CC(C)O)CN;APVZBYCXFJXGRX-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344637;MM344637;C=CC1(CO)COC1(C)C;MTQMLLSXNTVBKP-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344638;MM344638;CCC(C#CC(C)O)CF;FXSHKDHROGKRLK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344639;MM344639;C=CC1(CC)NCC1(C)C;KFTACAQKPIDAPD-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344640;MM344640;CC(O)C#CC(CN)CN;ONZMZISEKUACRS-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344641;MM344641;C=CC1(C=C)COC1(C)C;ANZGOLDRCOEZGL-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344642;MM344642;CC(O)C#CC(CN)CO;HCSZYFRFBDWFKC-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344643;MM344643;C=CC1(C=C)NCC1(C)C;FOKCOGPXDWJGJZ-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344644;MM344644;CC(O)C#CC(CN)CF;LQWJPQVWZLMTFO-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344645;MM344645;CC1(C)CNC1(C#N)C#N;SNEOSOCZYGDKHS-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344646;MM344646;CC(O)C#CC(CO)CF;ZISPUCICTGAFPA-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344647;MM344647;C#CC1(C#N)NCC1(C)C;PXOKEYDBRJNBGD-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344648;MM344648;CCC(C#CC(C)F)CC;MNHFFJRWLBBYKS-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344649;MM344649;CCC1CC1C(C)(C)CC;MWMLBQPNOUAGPL-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344650;MM344650;CCC(C#CC(C)F)CN;PTWDKKJLIVRYHH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344651;MM344651;CCC1CC1C(C)(C)CN;NZZOYHSRKFRFOU-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344652;MM344652;CCC(C#CC(C)F)CO;XFSUUTSPZCNUQM-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344653;MM344653;C=CC(=O)CC=NNCC;OOYZGAXQXYCQOF-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344654;MM344654;CCC(C#CC(C)F)CF;NJSQYERCDJQPCY-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344655;MM344655;CCC1CC1C(C)(C)CF;NOZVSXWCRJAUFY-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344656;MM344656;CC(F)C#CC(CN)CN;KGCVFINAHKYTLW-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344657;MM344657;CCC(C)(C)C1CC1CN;VGSCUOGCCYFCRA-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344658;MM344658;CC(F)C#CC(CO)CO;JNFZZWUGRDOJOP-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344659;MM344659;CC(C)(CN)C1CC1CN;ZAVBKCXOBTWAAY-UHFFFAOYSA-N;142.25;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344660;MM344660;CC(F)C#CC(CF)CF;MEAMRXSIXMAAGM-UHFFFAOYSA-N;150.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344661;MM344661;CC(C)(CO)C1CC1CN;UVGFZKYOAABKHS-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344662;MM344662;CCC(C#CC(F)F)CC;JEEIQLCGKKIINE-UHFFFAOYSA-N;146.18;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344663;MM344663;CC(C)(CF)C1CC1CN;OMVSPQCZBBFVQC-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344664;MM344664;CCC(C#CC(F)F)CN;JNFUBDHPKGEKSE-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344665;MM344665;CC(C)(CN)C1CC1CO;HOAABMMLOOMRSZ-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344666;MM344666;CCC(C#CC(F)F)CO;WUAJTBAPIFZAIB-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344667;MM344667;CC1(C#N)NC1CCC=O;VOKUKFXSZAZIDD-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344668;MM344668;CCC(C#CC(F)F)CF;PGAYQDVGILPLBI-UHFFFAOYSA-N;150.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344669;MM344669;CCC1CC1C(C)(N)CC;WWPHLMUZAFVSIC-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344670;MM344670;NCC(C#CC(F)F)CF;HLQCGAJTTXTGSO-UHFFFAOYSA-N;151.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344671;MM344671;CCC1CC1C(C)(N)CN;QCRXYXOBDWTABA-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344672;MM344672;OCC(C#CC(F)F)CF;JWNYTNLFSOVLDW-UHFFFAOYSA-N;152.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344673;MM344673;FCC(C#CC(F)F)CF;BBNLYAFLOCWJLA-UHFFFAOYSA-N;154.11;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344674;MM344674;CCC1CC1C(C)(N)CO;MFNHUINNFSHATA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344675;MM344675;CCC(C#CC(C)C)NC;RFFAEOZXUJRWLE-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344676;MM344676;CCC1CC1C(C)(N)CF;NTFQKJBZLCJKJM-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344677;MM344677;CNC(C#CC(C)N)CN;QTNMLIFXFFMICK-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344678;MM344678;CCC(C)(N)C1CC1CN;MFHUFQORJLUZHX-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344679;MM344679;CNC(C#CC(C)N)CO;KCTWJFZCVYJJQJ-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344680;MM344680;CC(N)(CN)C1CC1CN;AKLXBEJUMIWWPL-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344681;MM344681;CCC(C#CC(C)F)NC;WVRCDJAROZRXRC-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344682;MM344682;CC(N)(CF)C1CC1CN;DBTYOVNEJDTNLX-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344683;MM344683;CNC(C#CC(C)F)CN;WKCSCYCFVATEFB-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344684;MM344684;CC(N)(CN)C1CC1CO;XPURALFPUFVVGM-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344685;MM344685;CCC(C#CC(F)F)NC;VZTMADWHWOWUTD-UHFFFAOYSA-N;147.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344686;MM344686;CC(N)(CO)C1CC1CO;WCLCQZRBNFCHAI-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344687;MM344687;CCC(C#CC(C)C)OC;BDNBTDXAYZYILF-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344688;MM344688;CC(N)(CN)C1CC1CF;JMBDVEBZXDPJPN-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344689;MM344689;COC(C#CC(C)C)CN;WRYUQBCWGSNNQI-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344690;MM344690;C=CC(C)C(C=C)CCO;RWXJWQWKNUJOBS-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344691;MM344691;COC(C#CC(C)C)CO;YYNSQCUJZZHWOV-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344692;MM344692;CCC1CC1C(C)(O)CN;VNGSHWJCOMMLRD-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344693;MM344693;COC(C#CC(C)C)CF;PVAIAUVCLOBROE-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344694;MM344694;CCC1CC1C(C)(O)CO;CXMRSDAGOUBKOH-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344695;MM344695;COC(C#CC(C)N)CN;VNRVWPLJUIALOC-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344696;MM344696;COC(C#CC(C)N)CO;DNCDIPKMWORXGT-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344697;MM344697;CCC(C)(O)C1CC1CN;IOJAICYIFJQTLT-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344698;MM344698;CCC(C)(O)C1CC1CO;XIVRSOKOTSIFDS-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344699;MM344699;COC(C#CC(C)O)CN;HXQYTIMIVZHIFA-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344700;MM344700;CC(O)(CN)C1CC1CO;WGSKMYNLRYBUIT-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344701;MM344701;COC(C#CC(C)O)CO;ZQCFIJYZOHEFCR-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344702;MM344702;CCC(C)(O)C1CC1CF;AIWRRQVBIHXVRX-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344703;MM344703;CCC(C#CC(C)F)OC;UFDXFRLQLSULCN-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344704;MM344704;CCC1CC1C(C)(F)CC;KGIGBLFSMFDZTL-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344705;MM344705;COC(C#CC(C)F)CF;VJXQTFWRHIACBX-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344706;MM344706;CCC1CC1C(C)(F)CN;WVJMOHBTKBZPOR-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344707;MM344707;CCC(C#CC(F)F)OC;WEIHFSQMZGVBDY-UHFFFAOYSA-N;148.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344708;MM344708;CCC(C)(F)C1CC1CN;CSAOGJWGZHCJSL-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344709;MM344709;COC(C#CC(F)F)CO;IFSKGGIKQRDTNX-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344710;MM344710;CC(F)(CN)C1CC1CN;WMUWXQMTBVHIKW-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344711;MM344711;COC(C#CC(F)F)CF;NVPJTYCOKUVNDW-UHFFFAOYSA-N;152.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344712;MM344712;CCC(C)(F)C1CC1CO;OIOPAPOIYRLZHS-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344713;MM344713;COC(C#CC(C)F)OC;MHAYILHGIFGVCT-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344714;MM344714;CCC1CC1C(C)(C)NC;QVOKXQNQKYZLNC-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344715;MM344715;COC(C#CC(F)F)OC;KHCAGGYEURWUTL-UHFFFAOYSA-N;150.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344716;MM344716;CNC(C)(C)C1CC1CN;ULMATRRTVBRXLH-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344717;MM344717;C=CC(C#CC(C)C)CC;VCUUFAHIKVSNFM-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344718;MM344718;CNC(C)(C)C1CC1CO;XMASVYBOGAJQNY-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344719;MM344719;CCC(C#CC(C)C)C=O;KKODYSWALSUTJR-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344720;MM344720;CCC1CC1C(C)(C)OC;TVXRYEMTYIEZPA-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344721;MM344721;CCC(C#N)C#CC(C)C;HJBQYAMDOHVZCI-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344722;MM344722;COC(C)(C)C1CC1CF;SZPDHOQFZUADFA-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344723;MM344723;C=CC(C#CC(C)C)CN;WNQCZNOYQKITRT-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344724;MM344724;CNC1CC1C(C)(N)CF;YEFBHUOPYBTBDE-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344725;MM344725;NN1C(=O)CC2(F)CC12;NMRZBBSXAARPBM-UHFFFAOYSA-N;130.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344726;MM344726;CCC(C)(O)C1CC1NC;KATNXTXYADLWRU-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344727;MM344727;CC(C)C#CC(C#N)CO;AVMMRKPKGJRPDA-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344728;MM344728;CNC1CC1C(C)(O)CF;AUEZVBKAOCQHJW-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344729;MM344729;C=CC(C#CC(C)C)CF;AQAGDIFJWNFVQR-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344730;MM344730;CCC(C)(F)C1CC1NC;NOHQMWIEOWAXJA-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344731;MM344731;CC(C)C#CC(C=O)CF;VRIYVTZBJNPIJS-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344732;MM344732;CNC1CC1C(C)(F)CO;GGWAZRCSFZUGHU-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344733;MM344733;CC(C)C#CC(C#N)CF;OOLNDVZMVULVPW-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344734;MM344734;COC1CC1C(C)(C)CN;MMWZSHLTOIHKTC-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344735;MM344735;C=CC(C#CC(C)N)CC;UIVPUHXQMXIGFS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344736;MM344736;COC1CC1C(C)(C)CO;VJRAFVQRECEZCM-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344737;MM344737;C=CC(C#CC(C)N)CF;MGSMZYPXQVKEHX-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344738;MM344738;COC1CC1C(C)(N)CO;MMHQGIMLGDHYFK-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344739;MM344739;C=CC(C#CC(C)O)CC;FRWOFULXYXGGMD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344740;MM344740;CCC(C)(O)C1CC1OC;ABUBQFGBQKWPPW-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344741;MM344741;CCC(C#CC(C)O)C=O;FYSJMGGQTKNRQK-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344742;MM344742;COC1CC1C(C)(F)CN;MNFHNPRSSXNTEU-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344743;MM344743;CCC(C#N)C#CC(C)O;HJJCZLYWVZMHPP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344744;MM344744;COC1CC1C(C)(C)OC;OAQUYKNCTLHYMV-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344745;MM344745;CC(O)C#CC(C=O)CO;RCEMFCRWEVMLJR-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344746;MM344746;CCC1NC1C(C)(C)CN;CHMXAYKJBHJECM-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344747;MM344747;CC(O)C#CC(C#N)CO;FYGRXBPEXCNORZ-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344748;MM344748;CC(C)(CN)C1NC1CN;NBYPEXDDTDDHGH-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344749;MM344749;CC(O)C#CC(C=O)CF;GHNHMVDUDSWRKF-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344750;MM344750;CC(C)(CO)C1NC1CN;LHTLMRDMPGUURG-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344751;MM344751;C=CC(C#CC(C)F)CC;VBTWTGNWWDVRFN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344752;MM344752;CC(C)(CN)C1NC1CO;VQMSPGCRZQQLLP-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344753;MM344753;CCC(C#CC(C)F)C=O;OZDPCSPYTHCOCD-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344754;MM344754;C=CC(CCO)C(C)C=O;AHKDPQKOZKEHAK-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344755;MM344755;CCC(C#N)C#CC(C)F;VACCDHWOHLIZAF-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344756;MM344756;CCC1NC1C(C)(N)CC;GBPLPGBXCBJYFD-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344757;MM344757;C=CC(C#CC(C)F)CN;GJRKIBGYSFJOOW-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344758;MM344758;CCC1NC1C(C)(N)CN;KIBRNGMDQNTBFS-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344759;MM344759;C=CC(C#CC(C)F)CF;QVXOGYKAKSADGM-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344760;MM344760;CCC1NC1C(C)(N)CF;ZBWWPSAMGZTTJS-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344761;MM344761;CC(F)C#CC(C=O)CF;KGNWAAZGMKRCTB-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344762;MM344762;CCC(C)(N)C1NC1CN;DSZLPFNYQDVWRP-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344763;MM344763;CC(F)C#CC(C#N)CF;RGTGZVHEVBIFCV-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344764;MM344764;CC(N)(CN)C1NC1CN;YBUJHRDAEKOQGE-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344765;MM344765;C=CC(C#CC(F)F)CC;XMFLIBQYYBSSRW-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344766;MM344766;CCC(C)(N)C1NC1CO;UINNFJDCRTWARC-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344767;MM344767;CCC(C#CC(F)F)C=O;GGTGXYGHCXYVID-UHFFFAOYSA-N;146.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344768;MM344768;CC(N)(CN)C1NC1CO;NNAKVRDJZUPORT-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344769;MM344769;CCC(C#N)C#CC(F)F;RTNFLBLKAQBMIQ-UHFFFAOYSA-N;143.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344770;MM344770;CCC(C)(N)C1NC1CF;XRIWXAGKLSWRHY-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344771;MM344771;C=CC(C#CC(F)F)CN;VZRSQCIOMDFIDO-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344772;MM344772;CC(N)(CN)C1NC1CF;GMKHVJHDVRCSEW-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344773;MM344773;C=CC(C#CC(F)F)CF;KAONTIAHZUIHCP-UHFFFAOYSA-N;148.13;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344774;MM344774;CCC(C)(O)C1NC1CN;BCZGSIIAHUCCHM-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344775;MM344775;N#CC(C#CC(F)F)CF;ADVWTSRWCHKDBM-UHFFFAOYSA-N;147.1;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344776;MM344776;CC(O)(CN)C1NC1CO;GBIPKBPTXAQQBS-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344777;MM344777;C=CC(C#CC(C)C)NC;IOFHTNMNVBQOIH-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344778;MM344778;CC(C#N)CC1C(C)C1O;YKDHBCCBXCVVEE-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344779;MM344779;CC12CN(N)C(=O)C1N2;KSNKSUIZPPIMLI-UHFFFAOYSA-N;127.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344780;MM344780;CCC(C)(F)C1NC1CF;QBPKUMKSJQLOIC-UHFFFAOYSA-N;149.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344781;MM344781;C#CC1C(O)C1C=CC;AXMCLRHYIXYQIP-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344782;MM344782;CCC1NC1C(C)(C)NC;IRWQBRLAQMLGQL-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344783;MM344783;CC(F)=CC=C(C)CCO;JIONBRQKULUOTP-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344784;MM344784;CNC(C)(C)C1NC1CN;JXCPVBMZVBONJB-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344785;MM344785;C=CC(C#CC(C)C)OC;ZKVSKKQNFKZEDF-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344786;MM344786;CNC(C)(C)C1NC1CO;UPZLSLAHFHSACZ-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344787;MM344787;COC(C#CC(C)C)C=O;PFIYKSCHFYEYRU-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344788;MM344788;CNC(C)(C)C1NC1CF;OWRNRPGVJSBTJE-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344789;MM344789;COC(C#N)C#CC(C)C;AQKCCGGCUQDLIE-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344790;MM344790;CC(C)(CN)C1OC1CF;MMTFJKNMGNRZAX-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344791;MM344791;C=CC(C#CC(C)F)OC;OTGWPGBVJKTJOQ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344792;MM344792;CCC1OC1C(C)(N)CC;NQAAYKAKHVAXCF-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344793;MM344793;COC(C#N)C#CC(C)F;DZTPECYYTFJFGU-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344794;MM344794;CC(O)(CN)C1OC1CN;NWDBCSKWZGVAOJ-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344795;MM344795;C=CC(C#CC(F)F)OC;LAKLUJHONBEQNA-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344796;MM344796;CC(O)(CN)C1OC1CO;GUDAZULVSAJXRY-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344797;MM344797;COC(C#CC(F)F)C=O;LQEYKFNMGHTERY-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344798;MM344798;CCC(C)(F)C1OC1CO;NDXUWDIQKDOUBG-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344799;MM344799;COC(C#N)C#CC(F)F;IXFJJXFZRWTRPV-UHFFFAOYSA-N;145.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344800;MM344800;CCC1OC1C(F)(F)CC;FEWWJFRTKHDGPK-UHFFFAOYSA-N;150.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344801;MM344801;C#CC(C#CC(C)C)CC;LLJROWJOSXIKOM-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344802;MM344802;CCC1OC1C(C)(C)NC;GNDNLAXIRYQIQC-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344803;MM344803;C#CC(C#CC(C)C)CF;YVPSYFTZWRRKHK-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344804;MM344804;CCN1CC1C(C)(C)CN;YKSOWHQFEGYERS-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344805;MM344805;C#CC(C#CC(C)N)CC;VRBBUHFXKFMFPQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344806;MM344806;CCN1CC1C(C)(N)CC;CZUXTHIDGAXHTI-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344807;MM344807;CCN1CC1C(C)(N)CN;GGYLJZMHRYHKHC-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344808;MM344808;C#CC(C#CC(C)O)CC;ASSQUZLZHPBJHD-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344809;MM344809;CCN1CC1C(C)(N)CO;LDWQLDKAAGPBJU-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344810;MM344810;C#CC(C#CC(C)F)CC;GXMBGVLSEONUDU-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344811;MM344811;CCN1CC1C(C)(N)CF;VNVRNKCMCJWBBS-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344812;MM344812;C#CC(C#CC(C)F)CF;HSHNXECECDYWKG-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344813;MM344813;CCN1CC1C(C)(O)CN;MSVKYJGYSXWEEG-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344814;MM344814;C#CC(C#CC(F)F)CC;BGFMBYYOXQJSOP-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344815;MM344815;C=C(C(C)O)C1CC1CO;WHIFTUDZSOTYIX-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344816;MM344816;C#CC(C#CC(F)F)CF;VLLIWVLHZIGRBX-UHFFFAOYSA-N;146.11;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344817;MM344817;CCN1CC1C(C)(F)CC;VJAKYCQLGRWCJY-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C2";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344818;MM344818;C#CC(C#CC(C)C)OC;DBCLIWHJVADOLV-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344819;MM344819;CCN1CC1C(C)(F)CN;FLEQIFMFZQDAIN-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344820;MM344820;C#CC(C#CC(C)F)OC;AAZYAEKNKCXVCG-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344821;MM344821;CCN1CC1C(C)(C)NC;HHOUTIGQAIRYQU-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344822;MM344822;C#CC(C#CC(F)F)OC;DIVDZNNKRCDWAR-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344823;MM344823;CCC1CN1C(C)(C)CN;NVBICMXIZSMKKS-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344824;MM344824;C=CC(C#CC(C)C)C=C;CKBLQOPOWJCZPQ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344825;MM344825;CCC1CN1C(C)(C)CF;MJGLAQMEHISTEO-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344826;MM344826;C=CC(C#CC(C)C)C=O;GDZYAZQSHFIORP-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344827;MM344827;CCC(C)(C)N1CC1CN;XDLWGXHBPRHBPR-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344828;MM344828;C=CC(C#N)C#CC(C)C;LMBBOPQZULTXSR-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344829;MM344829;CC(C)(CO)N1CC1CN;GHFBPQIBSRCNLO-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344830;MM344830;CC(C)C#CC(C#N)C#N;GZPVAAXUSAUVTP-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344831;MM344831;CC(C)(CN)N1CC1CO;BREDSHZCBXFETR-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344832;MM344832;C=CC(C#CC(C)O)C=C;KHJVOBXNYCIDEO-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344833;MM344833;CN(CC=O)N(C=O)C=O;QNCFCDYNTPPXDM-UHFFFAOYSA-N;144.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344834;MM344834;C=CC(C#CC(C)O)C=O;XVXBOCIVXXPGMZ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344835;MM344835;CC(C)(CN)N1CC1CF;LMORPDANUPIJLQ-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344836;MM344836;C=CC(C#N)C#CC(C)O;IDPNCRIOOOGDMP-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344837;MM344837;C=CC(C)(C)C1CC1CC;LFARCFBIGPAHQE-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344838;MM344838;C=CC(C#CC(C)F)C=C;JIWCUXNEDAIHRU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344839;MM344839;CCC1CC1C(C)(C)C=O;NNUDBOHRKJOXIO-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344840;MM344840;C=CC(C#CC(C)F)C=O;VVNWPHUKRYZHAV-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344841;MM344841;CCC1CC1C(C)(C)C#N;JFWMEFBBEJPZPD-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344842;MM344842;C=CC(C#N)C#CC(C)F;PBPNHLFDCZQFNA-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344843;MM344843;C=CC(C)(C)C1CC1CN;YBRUMFFDBWXWBQ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344844;MM344844;CC(F)C#CC(C#N)C#N;ZSTLCPMZFCXXIQ-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344845;MM344845;C#CCC(=C)C(C#C)CO;BTUDQZAZMYKURZ-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344846;MM344846;C=CC(C#CC(F)F)C=C;RNWPMHHLCXTJHR-UHFFFAOYSA-N;142.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344847;MM344847;C=CC(C)(C)C1CC1CF;DSVJZTLIHJTYJS-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344848;MM344848;C=CC(C#CC(F)F)C=O;PWUSUYKPOGMTLH-UHFFFAOYSA-N;144.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344849;MM344849;C=CC(C)(N)C1CC1CC;XFNNUTTYQSMIRX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344850;MM344850;C=CC(C#N)C#CC(F)F;HRKKYPGTCPVKAJ-UHFFFAOYSA-N;141.12;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344851;MM344851;C=CC(C)(N)C1CC1CN;WHPNJQAPIIQVQU-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344852;MM344852;N#CC(C#N)C#CC(F)F;RCCWKTOQTFRJSM-UHFFFAOYSA-N;140.09;0.92;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_N0";;;;;;;1.47;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344853;MM344853;N#CC=C1NC(C=O)CO1;MHTINEWZNGMPAP-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344854;MM344854;C#CC(C#CC(C)C)C=C;NZKBEAKKLFMZMU-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344855;MM344855;CCC1CC1C(C)(O)C=O;YOJVHTAGJAGHSO-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344856;MM344856;C#CC(C#CC(C)C)C=O;JPHKTTOZJLQBJA-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344857;MM344857;CCC1CC1C(C)(O)C#N;VNWCLPIRMYEGGG-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344858;MM344858;C#CC(C#CC(C)N)C=C;IMKSMPGNXJJTIJ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344859;MM344859;C=CC(C)(O)C1CC1CN;HWUYFLPHBCHRLR-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344860;MM344860;C#CC(C#CC(C)O)C=C;SFNRLKUSZOTLFW-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344861;MM344861;CC(O)(C=O)C1CC1CO;XDWUHWRGUBIYOE-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344862;MM344862;C#CC(C#CC(C)F)C=C;NUUNGKRGORQODA-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344863;MM344863;CC(O)(C#N)C1CC1CF;NRKUUVRVXRTHGX-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344864;MM344864;C#CC(C#CC(C)F)C=O;FVWGFBUFKCXYLI-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344865;MM344865;C=CC(C)(F)C1CC1CC;MUZHNVVHAUTKMH-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344866;MM344866;C#CC(C#CC(F)F)C=C;NFJZDALMVNBWQK-UHFFFAOYSA-N;140.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344867;MM344867;CC(F)(C=O)C1CC1CF;MROBZMRLGLJRSP-UHFFFAOYSA-N;148.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344868;MM344868;C#CC(C#CC(F)F)C=O;VJYMSIZEEXUFAI-UHFFFAOYSA-N;142.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344869;MM344869;CC(F)(C#N)C1CC1CF;BRRAZNMWTYNUBT-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344870;MM344870;C#CC(C#C)C#CC(C)C;WWXCRDCBRIJCCA-UHFFFAOYSA-N;130.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344871;MM344871;C=CC(F)(F)C1CC1CC;UQYHXNQPVIZUJK-UHFFFAOYSA-N;146.18;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344872;MM344872;C#CC(C#C)C#CC(C)N;SFVGNFNLRHRXAD-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344873;MM344873;CNC1CC1C(C)(C)C=O;XUKUOUXSZUUVAG-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344874;MM344874;C#CC(C#C)C#CC(C)O;UECRTRONGDYWKX-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344875;MM344875;CNC1CC1C(C)(C)C#N;VPJZYTCJLWQHPG-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344876;MM344876;C#CC(C#C)C#CC(C)F;GHRVKPBGCWWAKS-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344877;MM344877;C=CC(C)(N)C1CC1NC;OHVCDLUHPYGXBI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344878;MM344878;C#CC(C#C)C#CC(F)F;JFHZFUBKZUENST-UHFFFAOYSA-N;138.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344879;MM344879;CNC1CC1C(C)(O)C=O;WBMPREXQYFGZDX-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344880;MM344880;C=C(C)C#CC(CC)CC;AGNOGFBMGWZEFQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344881;MM344881;CNC1CC1C(C)(O)C#N;NIQSTARLJXBTSV-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344882;MM344882;C=C(C)C#CC(CC)CN;SJUJVAAQVKLHKP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344883;MM344883;C=CC(C)(F)C1CC1NC;PHENMAJALWVOFA-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344884;MM344884;CC(CO)CC(C)CCO;KWTBLNQFVMFKHW-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344885;MM344885;CNC1CC1C(C)(F)C=O;KXBHDYRPVJZKQA-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344886;MM344886;C=C(C)C#CC(CC)CF;HHBIFBNISVKVHM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344887;MM344887;CNC1CC1C(C)(F)C#N;REEMZHROFMJVJR-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344888;MM344888;C=C(C)C#CC(CN)CF;REJDBWFWIKTZSJ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344889;MM344889;C=CC(C)(C)C1CC1OC;MAHVDHOWJIGFLQ-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344890;MM344890;C=C(C)C#CC(CO)CF;IDCRJRIUWZAVDM-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344891;MM344891;COC1CC1C(C)(C)C=O;APZXWVBVYRZSEG-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344892;MM344892;C=C(C)C#CC(CF)CF;SNKYOZRUWZDVJE-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344893;MM344893;COC1CC1C(C)(C)C#N;AAZFJUNYACDEAR-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344894;MM344894;CCC(C#CC(C)=O)CC;RUHVYXOBZGDURF-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344895;MM344895;C=CC(C)(O)C1CC1OC;KVJPNZVAUBFXBN-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344896;MM344896;CCC(C#CC(C)=O)CO;IHPXGZADGVQVMH-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344897;MM344897;COC1CC1C(C)(O)C=O;QVJXYNVGRDHKKA-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344898;MM344898;CCC(C#CC(C)=O)CF;FQJCANDPODGMJV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344899;MM344899;COC1CC1C(C)(O)C#N;KGAPAKBNDPRLPQ-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344900;MM344900;CC(=O)C#CC(CO)CO;RLORBBIEGQKYOS-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344901;MM344901;C=CC(C)(F)C1CC1OC;PYVQSHZDXGEFRK-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344902;MM344902;CCC(C#CC(=N)N)CC;UYGPLMSMBVMMMA-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344903;MM344903;COC1CC1C(C)(F)C=O;CUJOMETWUAPTPQ-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344904;MM344904;CCC(C#CC(=N)N)CN;YDPIUFBLKZMJHU-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344905;MM344905;COC1CC1C(C)(F)C#N;YHJFQYWXTWDKMS-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344906;MM344906;N=C(N)C#CC(CN)CN;LXVXHWDZFKWMDG-UHFFFAOYSA-N;140.19;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344907;MM344907;C=CC(C)(C)C1NC1CN;HEUWCSHCOQHSMO-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344908;MM344908;N=C(N)C#CC(CN)CO;DZPUUQSXNLOEGS-UHFFFAOYSA-N;141.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344909;MM344909;C#CCC(C#C)C1CC1O;OQYDKVRUMICXCZ-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344910;MM344910;N=C(N)C#CC(CN)CF;LNARPNPNTNPQBP-UHFFFAOYSA-N;143.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344911;MM344911;C=CC(C)(C)C1NC1CF;DDGRSKPAEURNCG-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344912;MM344912;N=C(N)C#CC(CO)CO;ZFZNRALQHWTCOP-UHFFFAOYSA-N;142.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344913;MM344913;CC(C)(C#N)C1NC1CF;DWEFZKGIOBZPOR-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344914;MM344914;N=C(N)C#CC(CF)CF;WAQRUVRPGSLHNU-UHFFFAOYSA-N;146.14;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344915;MM344915;C=CC(C)(N)C1NC1CC;KKAVBNRRUPFQKY-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344916;MM344916;CCC(C#CC(N)=O)CC;ZKRYBZKOJHNKIH-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344917;MM344917;C#CC=C(C=C)C1CC1O;YYHCJSMRDPIUDT-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344918;MM344918;CCC(C#CC(N)=O)CN;MCGOSKRPWBRUPT-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344919;MM344919;C=CC(C)(C)C1OC1CC;XZQMVUBQBRRMQI-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344920;MM344920;CCC(C#CC(N)=O)CF;CNFYNGJYVPLXGC-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344921;MM344921;CC(C)(C=O)C1OC1CO;XPYGFYABLIJLSW-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344922;MM344922;NCC(C#CC(N)=O)CN;ICKPBHRARAOBOR-UHFFFAOYSA-N;141.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344923;MM344923;CC(C)(C#N)C1OC1CO;RGOHAPIGIXSZTR-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344924;MM344924;NCC(C#CC(N)=O)CO;UOCDHLBFJMIPCK-UHFFFAOYSA-N;142.16;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344925;MM344925;CC(C)(C=O)C1OC1CF;MLGZSPOFZGQNSH-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344926;MM344926;NCC(C#CC(N)=O)CF;SFAXZBKMWBQREX-UHFFFAOYSA-N;144.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344927;MM344927;C=CC(C)(N)C1OC1CO;UEDGWEGZYHVUMH-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344928;MM344928;NC(=O)C#CC(CO)CO;CWTFTQCZUCYRTR-UHFFFAOYSA-N;143.14;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344929;MM344929;C=CC(C)(O)C1OC1CF;JIFCCZNUZPMCKV-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344930;MM344930;NC(=O)C#CC(CF)CF;PWWVLZJELOBVKC-UHFFFAOYSA-N;147.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344931;MM344931;CCN1CC1C(C)(C)C#N;MIJBRDKKTZQUPX-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344932;MM344932;CCC(C#CC(=O)O)CC;XVSCIBABCVDOLL-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344933;MM344933;CCC(C#CC(=O)O)CF;KHSMSCIIOAVBJO-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344934;MM344934;C=CC(C)(N)C1CN1CC;YPCXHJPQAPJWNU-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344935;MM344935;C=C(F)C#CC(CC)CC;KMBJDDJGECJQFU-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344936;MM344936;CCC1CN1C(C)(C)C#N;PKOZIVPGVLKKFQ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344937;MM344937;C=C(F)C#CC(CC)CN;ZWAUWUFAQMQSHZ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344938;MM344938;C=CC(C)(C)N1CC1CN;PFGMOAOWBLFQGD-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344939;MM344939;C=C(F)C#CC(CC)CO;WZVJSHODEZVDML-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344940;MM344940;CC=C(CC)C1CC1CO;GOMOHOMMZJDVJL-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344941;MM344941;C=C(F)C#CC(CN)CN;USBBEIZZJOZQOP-UHFFFAOYSA-N;142.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344942;MM344942;C=CC(C)(C)N1CC1CF;FMBWWZJZEBUYHY-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344943;MM344943;C=C(F)C#CC(CN)CO;OTAWRPFSPFAQGA-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344944;MM344944;C#CC(C)(C)C1CC1CC;DNPKSEGUQWKDHQ-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344945;MM344945;C=C(F)C#CC(CN)CF;NOEPBUIIVDMKIH-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344946;MM344946;C#CC(C)(C)C1CC1CN;MVECQRVPRMKATB-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344947;MM344947;C=C(C)C#CC(CC)NC;QPRGXQDTGJKMJA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344948;MM344948;NN=CNN=c1ocno1;CBJPDKQJHWHEGX-UHFFFAOYSA-N;143.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344949;MM344949;C=C(C)C#CC(CN)NC;SBUOWMGAEGSRCZ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344950;MM344950;C#CC(C)(N)C1CC1CC;FVILGMPQMNDGBR-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344951;MM344951;CCC(C#CC(=N)N)NC;LXQROSBXEQGXFL-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344952;MM344952;C#CC(C)(N)C1CC1CN;JMGIJCXISBCWDJ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344953;MM344953;CNC(C#CC(=N)N)CN;RTGBBAFLONAVEZ-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344954;MM344954;C#CC(C)(O)C1CC1CC;JRVZRDOJDWGIOZ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344955;MM344955;CNC(C#CC(=N)N)CO;ZHUKAKZZXXGFOS-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344956;MM344956;C#CC(C)(O)C1CC1CN;LNQMPCSHASRMOY-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344957;MM344957;CNC(C#CC(=N)N)CF;JHNBAURXRCNDMP-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344958;MM344958;C#CC(C)(F)C1CC1CC;SIYJAHULLYVVSM-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344959;MM344959;CNC(C#CC(N)=O)CN;CKQGTFFAGPZVQX-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344960;MM344960;C#CC(F)(F)C1CC1CC;VYTYQEUIAXHDBE-UHFFFAOYSA-N;144.16;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344961;MM344961;C=C(F)C#CC(CC)NC;UFUGIQOKOWLLGZ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344962;MM344962;C#CC(C)(C)C1CC1NC;SSHRMJUBBKJZFG-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344963;MM344963;C=C(F)C#CC(CN)NC;QESRBPWNMAKOTI-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344964;MM344964;C#CC(C)(N)C1CC1NC;KOUNKMPOFYEFAC-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344965;MM344965;C=C(C)C#CC(CC)OC;QFRDRYOTGXEGME-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344966;MM344966;C#CC(C)(O)C1CC1NC;FSDBGDOHEJUQFD-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344967;MM344967;C=C(C)C#CC(CN)OC;LGUMSNZNLIXEJI-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344968;MM344968;C#CC(C)(F)C1CC1NC;WUPLWERIEHWGQD-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344969;MM344969;C=C(C)C#CC(CO)OC;USDXERQTADAEIF-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344970;MM344970;C#CC(C)(C)C1CC1OC;FLQVBDVJOLORGJ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344971;MM344971;C=C(C)C#CC(CF)OC;GTQQJYZCEXSWIV-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344972;MM344972;C#CC(C)(N)C1CC1OC;CWPFWOHAOARFJG-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344973;MM344973;CCC(C#CC(C)=O)OC;JOHSLPIHINYGMT-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344974;MM344974;C#CC(C)(O)C1CC1OC;ZMQKPNQCWSZFKS-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344975;MM344975;COC(C#CC(C)=O)CO;QWJKFYBQJILXDS-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344976;MM344976;C#CC(C)(F)C1CC1OC;MVCPGGMCKPWZGE-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344977;MM344977;COC(C#CC(=N)N)CN;NNBHBIVFRLXERH-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344978;MM344978;C#CC(C)(N)C1NC1CC;BOLDFWKWGRUABI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344979;MM344979;COC(C#CC(=N)N)CO;TVGOVXCVUYZXLS-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344980;MM344980;C#CC(C)(N)C1NC1CF;HQRVBRIJPABFBF-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344981;MM344981;COC(C#CC(=N)N)CF;IKDLXUAPFXVFMG-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344982;MM344982;C#CC(C)(O)C1NC1CN;ZYKFBWCRZPGUOG-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344983;MM344983;COC(C#CC(N)=O)CN;YVTHPKPRLFTCQM-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344984;MM344984;C#CC(C)(C)C1OC1CC;YYJRGGWZLGKMHP-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344985;MM344985;COC(C#CC(N)=O)CO;GRXLEVQBLTTXKL-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344986;MM344986;C#CC(C)(N)C1OC1CN;VECIARRHXBYXSS-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344987;MM344987;N=c1nnn(C=O)nc1O;XTIQHFARGKIRGJ-UHFFFAOYSA-N;141.09;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344988;MM344988;C#CC(C)(N)C1OC1CO;DDCDDILOFASWQA-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344989;MM344989;CC(F)(C(=O)O)C(O)CF;BTKLXSBJQVBYRB-UHFFFAOYSA-N;154.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344990;MM344990;C#CC(C)(O)C1OC1CC;MGPUULWMXPVSPL-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344991;MM344991;C=C(F)C#CC(CC)OC;YIEPGUMTECDVAL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344992;MM344992;C#CC(C)(F)C1OC1CC;NMEFMFLFULYOKW-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344993;MM344993;C=C(F)C#CC(CN)OC;HRJGYZJNHMUOBF-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344994;MM344994;C=C(F)C#CC(CF)OC;VQIINYVMNYADOU-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344995;MM344995;C#CC(F)(F)C1CN1CC;FFYLJCJPMXRDFE-UHFFFAOYSA-N;145.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344996;MM344996;C=C(C)C#CC(OC)OC;IODZUXRMEIEMFS-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344997;MM344997;C#CC(C)(C)N1CC1CF;SKCYCHKZTHYPQL-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344998;MM344998;C=C(F)C#CC(OC)OC;JBMHSGMVDITJEJ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM344999;MM344999;C=CC1CC1C(C)(C)CC;IZJYSSDIUJHICX-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345000;MM345000;C=CC(C#CC(=C)C)CC;VDZWTCKUHOCAQZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345001;MM345001;C=CC1CC1C(C)(C)CN;FEBPBSRMZHKPCH-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345002;MM345002;C=C(C)C#CC(C=O)CC;IPZOUFNDAOXUJC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345003;MM345003;CCC(C)(C)C1CC1C#N;CJJAKXRQDLANPN-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345004;MM345004;C=C(C)C#CC(C#N)CC;OFDFEYQDLZTILI-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345005;MM345005;C=C(CCC)C1CC1CO;TXFNNRYWIORXCA-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345006;MM345006;C=CC(C#CC(=C)C)CN;LHGXPQRKVGLLSX-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345007;MM345007;C=CCC(=C)C1CC1CO;KEYXSPYBQNEIBI-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345008;MM345008;C=CC(C#CC(=C)C)CO;FPIYMHOUONBVDE-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345009;MM345009;C=CC1CC1C(C)(N)CC;NBGRDROIVWOKCV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345010;MM345010;C=C(C)C#CC(C#N)CO;GXACQXCBIWMFTE-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345011;MM345011;C=CC1CC1C(C)(N)CN;SNROZXUIPHSEME-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345012;MM345012;C=CC(C#CC(=C)C)CF;QWNRMEFNVYDKRA-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345013;MM345013;C=C(CC#N)C1CC1CO;PXUNWNTZDMCPNY-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345014;MM345014;C=C(C)C#CC(C=O)CF;SSYZLBAQJRKODG-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345015;MM345015;C=CC1CC1C(C)(O)CN;BFYAXUKDCAMUFN-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345016;MM345016;C=C(C)C#CC(C#N)CF;VGIOPVWAMBLPTD-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345017;MM345017;CCC(C)(O)C1CC1C=O;DZISTVUYRNEONS-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345018;MM345018;C=CC(C#CC(C)=O)CC;UKHXZNGEBWNDJQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345019;MM345019;C=CC1CC1C(C)(F)CC;KNEHMDVFARECGO-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345020;MM345020;CCC(C#CC(C)=O)C=O;QIRPFVQWBXRWGS-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345021;MM345021;CCC(C)(F)C1CC1C=O;DEAHSQDPEJTHJP-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345022;MM345022;CCC(C#N)C#CC(C)=O;FSRKSTLOWVSFTO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345023;MM345023;CCC(C)(F)C1CC1C#N;PENNSGFZXKWFDT-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345024;MM345024;CC(=O)C#CC(C=O)CO;RDQOILJRQZIEST-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345025;MM345025;CC(=O)C#CC(C#N)CO;YXFYFYBXWFSFEV-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345026;MM345026;C=CC1CC1C(C)(C)NC;KAYMYWYHRXSONR-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345027;MM345027;C=CC(C#CC(C)=O)CF;CFCBLBQVQZYZLH-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345028;MM345028;CNC(C)(C)C1CC1C#N;OAKMJSNRQBSZQK-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345029;MM345029;CC(=O)C#CC(C#N)CF;BGDDFRPNBMNJKJ-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345030;MM345030;C=CC1CC1C(C)(C)OC;NDADGLOPZMRMIC-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345031;MM345031;N=C(N)C#CC(C=O)CO;DGSOWVIUINSPCU-UHFFFAOYSA-N;140.14;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345032;MM345032;COC(C)(C)C1CC1C#N;FDQQZALOAGSKIX-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345033;MM345033;N#CC(C#CC(=N)N)CO;OUAGFTUFSMBQHW-UHFFFAOYSA-N;137.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345034;MM345034;C#CCC(=C)C1CC1CO;MWXQZRSGVJDACL-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345035;MM345035;C=CC(C#CC(N)=O)CC;ZFTNUNGJTSVYPH-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345036;MM345036;CCC(C)(C)C1NC1C#N;XHVRLVLXQJBKQO-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345037;MM345037;CCC(C#N)C#CC(N)=O;JCIQSWOSMHFKBG-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345038;MM345038;C=CC1NC1C(C)(N)CC;GQJGLKZFYGEULJ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345039;MM345039;NC(=O)C#CC(C=O)CO;QWWSHCAZXJCLRN-UHFFFAOYSA-N;141.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345040;MM345040;C=CC1NC1C(C)(N)CN;CRIVOVRGHWOZKJ-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345041;MM345041;N#CC(C#CC(N)=O)CO;RYVRBFIQGSLQNM-UHFFFAOYSA-N;138.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345042;MM345042;CCC1C=CC(O)C1;WMYMPNTXPBJWIH-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345043;MM345043;N#CC(C#CC(N)=O)CF;QRFHGSQJGRNDKA-UHFFFAOYSA-N;140.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345044;MM345044;C=CC(C#CC(=O)O)CC;KWMRCVJTLPMVQE-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345045;MM345045;CCC(C)(F)C1NC1C#N;AQDLQJFTMNAEDY-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345046;MM345046;COCC(O)(CO)C(=O)O;BMIOVAAVUYGJAA-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345047;MM345047;C=CC1NC1C(C)(C)NC;XYEXEQUDTBJSQX-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345048;MM345048;CCC(C#N)C#CC(=O)O;YIUGPEPALSQCQK-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345049;MM345049;CNC(C)(C)C1NC1C=O;OGDMHEUWMKOJNM-UHFFFAOYSA-N;142.2;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345050;MM345050;COC(CO)(CO)C(=O)O;ZDRNCZDXLMQEGM-UHFFFAOYSA-N;150.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345051;MM345051;COC(C)(C)C1NC1C#N;NRZKRRSLIMNUTM-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345052;MM345052;O=C(O)C=NN=CCO;MPAXRQKGUVFKGC-UHFFFAOYSA-N;130.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345053;MM345053;CCC(C)(C)C1OC1C#N;UITNCIUQATWWDX-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345054;MM345054;C=CC(C#CC(=O)O)CF;VIOOMIZVWIXCHL-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345055;MM345055;C=CC1OC1C(C)(F)CC;NWRRDDDDRVKQOD-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345056;MM345056;C=C(F)CON=CC(=O)O;UZYJTBJVGQLLQR-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345057;MM345057;C=CC1OC1C(C)(F)CN;FVMONBZQJXRDCQ-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345058;MM345058;C=CC(C#CC(=C)F)CC;BZNJAPONOFMZAX-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345059;MM345059;CCC(C)(F)C1OC1C=O;PVWNRGKYXQUNJT-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345060;MM345060;C=C(F)C#CC(C=O)CC;BTZYDORJEKQOLT-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345061;MM345061;CCC(C)(F)C1OC1C#N;GMOGXJHBOUSURI-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345062;MM345062;C=C(F)C#CC(C#N)CC;CXUIRNSSKMMPAA-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345063;MM345063;CNC(C)(C)C1OC1C=O;BYKHPGHIFJEWRT-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345064;MM345064;C=CC(C#CC(=C)F)CN;GSEHAGGLTUJJGC-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345065;MM345065;COC(C)(C)C1OC1C#N;JQDGOWGHINZXBN-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345066;MM345066;C=CC(C#CC(=C)C)NC;CMAQGGLQZLFDSY-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345067;MM345067;CCC(C)(C)C1CN1C=N;MVPUPZTYZLWBEP-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345068;MM345068;CCC(F)CC(C)CCO;MUHUINLEAZAOOT-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345069;MM345069;CC(C)(CN)C1CN1C=N;IDJPBZCJRBOZJK-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345070;MM345070;C=C(CCO)CC(=C)OC;YWJRRPZUNMYXCE-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345071;MM345071;CC(C)(CO)C1CN1C=N;ZNJGBGZGNRKAAA-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345072;MM345072;CNC(C#CC(=N)N)C=O;GMRKTAUNFSHMJB-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345073;MM345073;CCC(C)(C)C1CN1C=O;CUGCYDLZVPIREN-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345074;MM345074;CNC(C#N)C#CC(=N)N;USCDTZASYOMMTG-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345075;MM345075;CC(C)(CN)C1CN1C=O;UYFLWXLTSVKPOQ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345076;MM345076;C#CCC(O)C=C(C)C#C;UHKRXVXCIUMADO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345077;MM345077;CC(C)(CO)C1CN1C=O;BJTLLTVJWDERCS-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345078;MM345078;Cn1c(O)nc(=N)[nH]c1=O;XSMWJRWXZWBGFQ-UHFFFAOYSA-N;142.12;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345079;MM345079;CCC(C)(N)C1CN1C=N;CWETWYJACIQWAA-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345080;MM345080;C=CC(C#CC(=C)C)OC;ZNFIXUNGGFRWMG-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345081;MM345081;CC(N)(CN)C1CN1C=N;ZRSZHXXYRGFFPA-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345082;MM345082;C=C(C)C#CC(C=O)OC;YMKMTODOBSEELD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345083;MM345083;CCC(C)(N)C1CN1C=O;HYPFZWWBSMRSGS-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345084;MM345084;C=C(C)C#CC(C#N)OC;WPGVRZQZNDGQOA-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345085;MM345085;CC(N)(CN)C1CN1C=O;LUOMBDFGHSKKTI-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345086;MM345086;C=CC(C#CC(C)=O)OC;SVEVORNDUGZBSX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345087;MM345087;CCC(C)(O)C1CN1C=N;ALKCBHBOCJPTCH-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345088;MM345088;C=CC(C#CC(N)=O)OC;ADEMUPMDNWJHEM-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345089;MM345089;CCC(C)(O)C1CN1C=O;PZMFFLOLBJEWBT-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345090;MM345090;COC(C#CC(N)=O)C=O;DWBSCUGCFZHGSO-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345091;MM345091;CC(O)(CO)C1CN1C=O;HAYRXASJVJUZAG-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345092;MM345092;COC(C#N)C#CC(N)=O;CMYKJAQBURMQNZ-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345093;MM345093;CCC(C)(F)C1CN1C=N;PAJDFWZVUNSYTP-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345094;MM345094;Nc1onnc1O;XEGQJGSQVRWLQB-UHFFFAOYSA-N;101.07;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345095;MM345095;CCC(C)(F)C1CN1C=O;GTTIMGTUDSUIHI-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345096;MM345096;ON=c1[nH]c(F)co1;PYALRKGHCFZUHB-UHFFFAOYSA-N;118.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345097;MM345097;CNC(C)(C)C1CN1C=N;MMQYYTIWUFKBIY-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345098;MM345098;C=CC(C#CC(=C)F)OC;CBTSPTAMHKCIPP-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345099;MM345099;CNC(C)(C)C1CN1C=O;XCSXZTNCZJQMSD-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345100;MM345100;C=C(F)C#CC(C=O)OC;OXFDNZXSGNWPPW-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345101;MM345101;COC(C)(C)C1CN1C=N;LDOYCXFJUIAKCJ-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345102;MM345102;C=C(F)C#CC(C#N)OC;ILAVMRZHAGIBSJ-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345103;MM345103;COC(C)(C)C1CN1C=O;CTZMSADUUJBXLA-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345104;MM345104;C#CC(C#CC(=C)C)CC;FJYVLBOVVKJPSY-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345105;MM345105;C=NN1CC1C(C)(C)CC;PHRLBIYXFBGIGO-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345106;MM345106;C#CC(C#CC(=C)C)CN;BMWLLQZKUYEQDQ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345107;MM345107;C=NN1CC1C(C)(C)CN;JCWMUDIKUVHYRA-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345108;MM345108;C#CC(C#CC(=C)C)CO;BEKQDQJJUIEOTA-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345109;MM345109;CCC1=CC(O)CC1;PRZRXKYPWUUEFP-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345110;MM345110;C#CC(C#CC(=C)C)CF;PPSDXMCADBVJHA-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345111;MM345111;C=NN1CC1C(C)(N)CC;YUVYOBXBWHLLIZ-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345112;MM345112;C#CC(C#CC(C)=O)CC;VSJAKPAYNMHINM-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345113;MM345113;C=NN1CC1C(C)(N)CN;JSTLQCHFWLFJTQ-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345114;MM345114;C#CC(C#CC(C)=O)CO;YOXOADIYANUVAB-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345115;MM345115;CN(C)N=CCCC=O;JZADCTBAQFJAID-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345116;MM345116;C#CC(C#CC(C)=O)CF;XGRSOAKMCQLSLX-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345117;MM345117;CON=CC(C)CC=O;NRYATGAUPNNSIQ-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345118;MM345118;C#CC(C#CC(=C)F)CC;FBTVBAOXEIVBCR-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345119;MM345119;CCNN=CC(F)C#N;UEDOZPAMTOIKAV-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345120;MM345120;C#CC(C#CC(=C)F)CO;RVDMYAAWIJEMEA-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345121;MM345121;C#CC(C#CC(=N)N)NC;WDCJHYXLXDMYMH-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345122;MM345122;C=NN1CC1C(C)(F)CC;ZNEVBPDIIBMYHS-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345123;MM345123;C#CC(C#CC(=C)C)OC;LVKIGAFRDFCGJH-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345124;MM345124;C=NN1CC1C(C)(F)CN;GIQKTOIYVKZOGC-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345125;MM345125;C#CC(C#CC(=N)N)OC;XDOLXQONTRBUEE-UHFFFAOYSA-N;136.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345126;MM345126;C=NN1CC1C(C)(C)NC;JYZWJVGNAGZIBG-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345127;MM345127;C=CC(C#CC(=C)C)C=C;UNPJPWREDAHAOB-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345128;MM345128;C=NN1CC1C(C)(C)OC;SWBICUPXYKMSKW-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345129;MM345129;C=CC(C#CC(=C)C)C=O;LIHRRTQYCDYSLE-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345130;MM345130;C=CC1CN1C(C)(C)CN;AJGGHAXWHFGVSW-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345131;MM345131;C=CC(C#N)C#CC(=C)C;USCOGZRJCJAUKQ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345132;MM345132;C=CCC(C=C)CCO;VAFIOCCSGCBFQG-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345133;MM345133;C=C(C)C#CC(C#N)C=O;KLYVFCCJLRCFCY-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345134;MM345134;C=CC1CN1C(C)(C)CF;KZKFQMVDEASETI-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345135;MM345135;C=C(C)C#CC(C#N)C#N;JNWLMCNBFCIQDO-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345136;MM345136;CCC(C)(C)N1CC1C#N;OMVYHVBGLLLJDU-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345137;MM345137;C=CC(C#CC(C)=O)C=C;KGVKLPUTNTXEIF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345138;MM345138;CCCC1=CC(O)CC1;PNCFRHZEQDHZBY-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345139;MM345139;C=CC(C#CC(C)=O)C=O;OSFXLXCNEMCWFH-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345140;MM345140;C=CC1CC1C(C)(C)C=C;VSNRRKLWADFENH-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345141;MM345141;C=CC(C#N)C#CC(C)=O;MVKURNQBDOCETF-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345142;MM345142;C=CC(C)(C)C1CC1C=O;ZZIHXPNFBNRFRV-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345143;MM345143;C=CC(C#N)C#CC(=N)N;FSHFVUIQGHOMRO-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345144;MM345144;C=CC(C)(C)C1CC1C#N;NRUIDZAMUXSZCP-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345145;MM345145;N#CC(C#CC(=N)N)C=O;AXGSIZZIMJKGDV-UHFFFAOYSA-N;135.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345146;MM345146;C=CC1CC1C(C)(N)C=C;XSLRIQGVMYBSKO-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345147;MM345147;C=CC(C#CC(N)=O)C=O;XXNRZRBASKLKPQ-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345148;MM345148;C=CC1CC1C(C)(O)C#N;JRMLXBMEHZTSFQ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345149;MM345149;C=CC(C#CC(=O)O)C=C;WMOWAIOPORATQO-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345150;MM345150;CC(O)(C=O)C1CC1C#N;SKPKXEXTKODRDF-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345151;MM345151;O=c1cc(O)[nH]c(=NO)o1;XPLAGMPKMVDFEB-UHFFFAOYSA-N;144.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345152;MM345152;CC(O)(C#N)C1CC1C#N;NRUUWPMSQUOZNG-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345153;MM345153;C=CC(C#N)C#CC(=O)O;SELPLPOHTBJXSD-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345154;MM345154;C=CC1CC1C(C)(F)C#N;FSVNWWBBXZYBKE-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345155;MM345155;N#CC(C#N)C#CC(=O)O;BQZGCQKQANAWKA-UHFFFAOYSA-N;134.09;-0.26;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345156;MM345156;CC(F)(C#N)C1CC1C=O;LITRCFYAZWGSGA-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345157;MM345157;C=CC(C#CC(=C)F)C=C;IHMKVRIAKWZENL-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345158;MM345158;CC(F)(C=O)C1CC1C#N;IRVWGIKSRUPARB-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345159;MM345159;C=CC(C#CC(=C)F)C=O;AWMFTBJELKIKPA-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345160;MM345160;C=CC(F)(F)C1CC1C=O;YYVJCWDMQMEUFH-UHFFFAOYSA-N;146.14;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345161;MM345161;C=CC(C#N)C#CC(=C)F;SHFSUTXNWXJZLR-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345162;MM345162;C=CC1NC1C(C)(C)C#N;YIGWXRIQVNMTEQ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345163;MM345163;C=C(F)C#CC(C#N)C#N;QUTPHJXEBNORQP-UHFFFAOYSA-N;134.11;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345164;MM345164;C#CC1=CC(O)CC1C;ANPHRNCTBXRFTQ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345165;MM345165;C#CC(C#CC(=C)C)C=C;NQLFRAWMBDLQSD-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345166;MM345166;CC(O)(C#N)C1NC1C=O;VDCPJCLJDHACPE-UHFFFAOYSA-N;140.14;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345167;MM345167;C#CC(C#CC(=C)C)C=O;BXMMCFGRHVMNFQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345168;MM345168;CC(O)(C#N)C1NC1C#N;QWDJGHGOPJLPQG-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345169;MM345169;C#CC(C#CC(C)=O)C=C;ZTWSTAUUSUTETL-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345170;MM345170;C=Cn1cnc(N)c1F;UBUAYPHWZNMSGK-UHFFFAOYSA-N;127.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345171;MM345171;C#CC(C#CC(=N)N)C=C;OGKHJYXUYNCGMZ-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345172;MM345172;CC(F)(C=O)C1NC1C#N;GIIRNXOHTNUNLT-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345173;MM345173;C#CC(C#CC(=N)N)C=O;DZRHZDWWFUQZIM-UHFFFAOYSA-N;134.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345174;MM345174;C=CC1OC1C(C)(C)C=O;MOQORHNXSGKGPL-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345175;MM345175;C#CC(C#CC(N)=O)C=C;ZNSWXPWDRSYNQM-UHFFFAOYSA-N;133.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345176;MM345176;CC(C)(C=O)C1OC1C=O;YLZXZPAMYNIQEC-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345177;MM345177;C#CC(C#CC(N)=O)C=O;JWLCRVBVDVVQPN-UHFFFAOYSA-N;135.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345178;MM345178;C=CC(C)(O)C1OC1C=O;CUJJRJVIRBORCJ-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345179;MM345179;C#CC(C#CC(=O)O)C=C;QWOWTFGSAPZSCK-UHFFFAOYSA-N;134.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345180;MM345180;C=CC(C)(O)C1OC1C#N;BTRZIWPEWLLJER-UHFFFAOYSA-N;139.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345181;MM345181;C#CC(C#N)C#CC(=O)O;SYFINIILTQIJLP-UHFFFAOYSA-N;133.11;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345182;MM345182;CC(O)(C=O)C1OC1C#N;CCBBDDHULLDRHK-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345183;MM345183;C#CC(C#CC(=C)F)C=C;ZAKYHADQYBTQLX-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345184;MM345184;C=CC(C)(F)C1OC1C=O;WKOIDZSWGBIEIJ-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345185;MM345185;C#CC(C#CC(=C)F)C=O;YIJNVGPEJFAXTN-UHFFFAOYSA-N;136.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345186;MM345186;C=CC(C)(C)C1CN1C=N;RRPWQJOTGIZYDM-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345187;MM345187;C#CC(C#C)C#CC(=C)C;KMMPMJVPNJRDDU-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345188;MM345188;CC(C)(C#N)C1CN1C=N;OQNCSFCFPRLPEB-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345189;MM345189;C#CC(C#C)C#CC(C)=O;QLIKBVGMVBVMJI-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345190;MM345190;C=CC(C)(C)C1CN1C=O;QXIGYQUTPMMTRJ-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345191;MM345191;C#CC(C#C)C#CC(=N)N;LDFYQAXXIFTZFU-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345192;MM345192;CC(C)(C#N)C1CN1C=O;IHYRKVSYJFQJCA-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345193;MM345193;C#CC(C#C)C#CC(N)=O;GBMFLFOZBDTHHY-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345194;MM345194;C=CC(C)(N)C1CN1C=N;FXRJJSZLTOLPJO-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345195;MM345195;C#CC(C#C)C#CC(=O)O;ABZSYVJVHPGYJG-UHFFFAOYSA-N;132.12;-0.04;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345196;MM345196;C=CC(C)(N)C1CN1C=O;UVNZPKLXIMKKSL-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345197;MM345197;C#CC(C#C)C#CC(=C)F;DPWPKDQIJBBHDS-UHFFFAOYSA-N;132.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345198;MM345198;C=CC(C)(O)C1CN1C=N;AYPNCIILJSVSRY-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345199;MM345199;CC=C(C#CC(C)C)CC;SKJIZHPQNBUIEP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345200;MM345200;CC(O)(C=O)C1CN1C=N;SWRFDOCNQYSYGG-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345201;MM345201;CCC(C#CC(C)C)=CF;IWSGINMSFWAXKI-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345202;MM345202;CC(O)(C#N)C1CN1C=N;SJLCSMZZKLYRII-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345203;MM345203;CC=C(C#CC(C)C)CN;DWDGMSWCVOUOPP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345204;MM345204;C=CC(C)(O)C1CN1C=O;FQNUMXMBHYRHFP-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345205;MM345205;CC(C)C#CC(=CF)CN;DBMIWVNDJVWZBT-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345206;MM345206;CC(O)(C=O)C1CN1C=O;RDRAZEYVKYCMPP-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345207;MM345207;CC=C(C#CC(C)C)CO;LGAVUKNESNXJNX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345208;MM345208;CC(O)(C#N)C1CN1C=O;SQTNULGSMFLXOQ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345209;MM345209;CC=C(C#CC(C)C)CF;JKWWOPGEORKCFL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345210;MM345210;C=CC(C)(F)C1CN1C=N;GZWQOQYDWBOGMM-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345211;MM345211;CC(C)C#CC(=CF)CF;CFSMRAOCIFBNJQ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345212;MM345212;CC(F)(C=O)C1CN1C=N;ZWCZDBJIFQVEJW-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345213;MM345213;CC=C(C#CC(C)N)CC;UPUBMJXBXHBUJP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345214;MM345214;CC(F)(C#N)C1CN1C=N;GIVSGTZYJTVZMJ-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345215;MM345215;CCC(C#CC(C)N)=CF;OZYYNCVHIGDURU-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345216;MM345216;C=CC(C)(F)C1CN1C=O;KPYPMJNPAAWEHN-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345217;MM345217;CC=C(C#CC(C)N)CF;FVJVJPUXUAFVPD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345218;MM345218;CC(F)(C=O)C1CN1C=O;QJBRUDATGIEYST-UHFFFAOYSA-N;145.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345219;MM345219;CC=C(C#CC(C)O)CC;REHMHCMOZUSLLM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345220;MM345220;CC(F)(C#N)C1CN1C=O;AQVSFSGZMMICNZ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345221;MM345221;CCC(C#CC(C)O)=CF;YOUMYOYZHKNDEA-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345222;MM345222;C=CC(C)(C)C1CN1N=C;SNPVZGWYIGUUDV-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345223;MM345223;CC(O)C#CC(=CF)CN;ODCMIFJDIWPHBD-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345224;MM345224;C=NN1CC1C(C)(C)C#N;GRBYHHVEYULKQR-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345225;MM345225;CC=C(C#CC(C)O)CF;YYEHTSBNIVILTP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345226;MM345226;Cc1c(N)nnn1C=O;RFRQXZMBMACYOY-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345227;MM345227;CC(O)C#CC(=CF)CF;BIXURZHHHVEWMD-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345228;MM345228;C#CC(C#N)N1CC1C;GCCDUOKIKKZNBM-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345229;MM345229;CC=C(C#CC(C)F)CC;UNKFZUOHPPWKFO-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345230;MM345230;N#CC1CCC(CO)C1;UDTYTMPCXPIDCQ-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345231;MM345231;CCC(C#CC(C)F)=CF;FAMOBOJCUGRZAV-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345232;MM345232;C=CC(C)(F)C1CN1N=C;CHRKJOXWMYTOGV-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345233;MM345233;CC=C(C#CC(C)F)CN;QZXGGILBRLSQBZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345234;MM345234;C=NN1CC1C(C)(F)C=O;IZJDIEYPOMRJNZ-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345235;MM345235;CC=C(C#CC(C)F)CO;CENJZAILVGGKSP-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345236;MM345236;C=NN1CC1C(C)(F)C#N;WBXMBKUXISZRFG-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345237;MM345237;CC(F)C#CC(=CF)CO;YJYLSSXZMKDWRH-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345238;MM345238;C=CC(F)(F)C1CN1N=C;XVYODPOJPACEQD-UHFFFAOYSA-N;146.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345239;MM345239;CC=C(C#CC(C)F)CF;RBKOFKQPEYEJJD-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345240;MM345240;C=CC1CN1C(C)(C)C=C;GGQWFEAJVIWKBX-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345241;MM345241;CC(F)C#CC(=CF)CF;ITLNVWPWKSBOOM-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345242;MM345242;C=CC1CN1C(C)(C)C=O;WYHOJCZDGCCHDY-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345243;MM345243;CC=C(C#CC(F)F)CC;AVAZCQQSRVWMMP-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345244;MM345244;C=CC(C)(C)N1CC1C#N;ZLNIOGUHZOEMJV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345245;MM345245;CCC(C#CC(F)F)=CF;ZMLGPOBJSSPRDW-UHFFFAOYSA-N;148.13;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345246;MM345246;C#CC(C)(N)C1CC1C=C;IOTZJMNBGNXRPO-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345247;MM345247;CC=C(C#CC(F)F)CN;OERZJRHBVBFVKX-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345248;MM345248;C#CC(C)(O)C1CC1C=C;YTIJZSHUSCZFKT-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345249;MM345249;CC=C(C#CC(F)F)CO;PATBZOWQOLRBMC-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345250;MM345250;C#CC(C)(O)C1CC1C#N;WFFIKDMNPODFTN-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345251;MM345251;OCC(C#CC(F)F)=CF;UGYBVIZBYKRZNW-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345252;MM345252;C#CC(C)(N)C1NC1C=C;MDJHTYVICKLMRR-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345253;MM345253;CC=C(C#CC(F)F)CF;HBHKZYQTJNDWMA-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345254;MM345254;CC=NN=CNN=CC;XTTAJBAHQHASPU-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345255;MM345255;FC=C(C#CC(F)F)CF;SARAXBNJMZSUGI-UHFFFAOYSA-N;152.09;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345256;MM345256;CC(C)C#CC(C)(C)CO;RDISKBYNTOAKAI-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345257;MM345257;CCC(C#CC(C)C)=NN;JREWRJGWBODHAD-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345258;MM345258;C#CC(C)(F)C1NC1C#N;AUURWPBAYVJJMH-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345259;MM345259;CCC(C#CC(C)C)=NO;CTZSOTPHMCTDDJ-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345260;MM345260;C#CC(F)(F)C1NC1C=C;CFIOUNLCFBFBNU-UHFFFAOYSA-N;143.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345261;MM345261;CC(C)C#CC(CF)=NN;BXAUKAJINXOPJQ-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345262;MM345262;C#CC(C)(C)C1OC1C=C;DBXSOKHVCDQYSV-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345263;MM345263;C=C(C=C(C)CCO)OC;TXJOXCHPUXLMEG-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345264;MM345264;C#CC(C)(C)C1OC1C=O;GCCWKOJBZUXQMT-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345265;MM345265;CCC(C#CC(C)F)=NN;AXYZYQPIUYWIPR-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345266;MM345266;C#CC(C)(O)C1OC1C#N;MJSRCCIVGRGRPK-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345267;MM345267;CCC(C#CC(C)F)=NO;ASMHNFCONLWFRU-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345268;MM345268;C#CC(C)(C)C1CN1C=N;DVEAPTKMBXHXRG-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345269;MM345269;CC(F)C#CC(CF)=NN;MGJFTCOYKGMWGE-UHFFFAOYSA-N;146.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345270;MM345270;C#CC(C)(C)C1CN1C=O;VANLSZFZYNCBHL-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345271;MM345271;N=c1c(=O)nc(O)on1O;QNRILSCSNGMTJM-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345272;MM345272;C#CC(C)(N)C1CN1C=N;NTWVZSITQZIUJL-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345273;MM345273;COC(=O)C=C(C)CCO;LQDTWKDEXHPJLV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345274;MM345274;C#CC(C)(N)C1CN1C=O;VAGSPCRMNUNUFU-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345275;MM345275;CCC(C#CC(F)F)=NO;FQPADHOHUGHAIQ-UHFFFAOYSA-N;147.12;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345276;MM345276;C#CC(C)(O)C1CN1C=N;JIHYENZQFBDHRY-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345277;MM345277;CN=C(C#CC(C)C)NC;LCGTUBPGZAVHGE-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345278;MM345278;C#CC(C)(O)C1CN1C=O;UHPAYNZFQZLOQB-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345279;MM345279;CC(=CC(=O)C=O)CCO;XSEDNWPJNHTOCY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345280;MM345280;CC(=CC(C)=NN)CCO;HOICEFOETAVBNA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345281;MM345281;C#CC(C)(F)C1CN1C=N;PEVLQIHGUSMDQC-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345282;MM345282;CC(=CC(C)O)C(C)CF;INWUZGVDVAFESG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345283;MM345283;C#CC(C)(F)C1CN1C=O;CBFNVANTFZVTPY-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345284;MM345284;CCC(=CC(C)O)CCF;HUPLBKGPZHEJOO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345285;MM345285;C#CC(C)(C)C1CN1N=C;ZMPPYWKGRLQBCM-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345286;MM345286;CC(O)C#CC(=NO)NO;WOSAAQJROFKIIC-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345287;MM345287;CC(C)(C#CCCF)CO;SSIZNGZZUTUAKP-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345288;MM345288;CN=C(C#CC(C)F)NC;RCFUDPTZFMPEAR-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345289;MM345289;C#CC(C)(F)C1CN1N=C;NSPTYJWBIAHVHM-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345290;MM345290;C=NNCCC(C)CCO;GSRBYRSTRCXWNR-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345291;MM345291;C#CC1CC1C(C)(C)CC;SLERJHDSRPEIKI-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345292;MM345292;CN=C(C#CC(F)F)NC;GLNSPRIMKDSSNX-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345293;MM345293;C#CC1CC1C(C)(C)CN;NAHXSCWFRZCQPU-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345294;MM345294;C=C(CC=CCC)CCO;UTIXWVHUDCXPCL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345295;MM345295;CNCC(=O)OCC(C)=O;NCIPNEPHZODBOT-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345296;MM345296;C=C(CC=COC)CCO;QNKFSNPRVQKZGW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345297;MM345297;C#CC1CC1C(C)(N)CC;CKDUODZZAOWZFS-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345298;MM345298;ON=C(C#CC(F)F)NO;BWWWVRMDYJVVTL-UHFFFAOYSA-N;150.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345299;MM345299;C#CC1CC1C(C)(N)CN;OCDUMHGVQTWKHC-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345300;MM345300;CC=C(C#CC(C)C)OC;RNEREWPCTBVREI-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345301;MM345301;CC(N)=NN=CC(C)C=O;XXNGSMVBDJNJDU-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345302;MM345302;COC(C#CC(C)C)=CF;VQBIKFXUDMGYJJ-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345303;MM345303;C#CC1CC1C(C)(C)NC;YNVQRJZPWUKENU-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345304;MM345304;CC=C(C#CC(C)N)OC;OESNAQUJUXCDCP-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345305;MM345305;C#CC1CC1C(C)(C)OC;MHHDISFKMPFIOT-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345306;MM345306;COC(C#CC(C)N)=CF;LSTAVOGQGNVWEO-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345307;MM345307;C#CC1NC1C(C)(C)CC;OTXOQQUSFKFXHE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345308;MM345308;CC=C(C#CC(C)O)OC;CKHPHYXSZFJIFL-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345309;MM345309;CC=C(C#CC(C)F)OC;WUONZSJSQBOBGT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345310;MM345310;C#CC1NC1C(C)(C)CN;KAKUXRCSGQSIMK-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345311;MM345311;COC(C#CC(C)F)=CF;FDVZHIVGLZXJDY-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345312;MM345312;C#CC1NC1C(C)(N)CC;IYDSQUKLAPASPO-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345313;MM345313;CC=C(C#CC(F)F)OC;PJZDDHCIPZSXBM-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345314;MM345314;C#CC1NC1C(C)(N)CO;TUMAHMPMXSVGNC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345315;MM345315;COC(C#CC(F)F)=CF;AZWNBHVETLWEGM-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345316;MM345316;C#CC1NC1C(C)(F)CC;NOCXBHRSYTYHPU-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345317;MM345317;CC(=CC=CCF)CCO;PHJCOJXDOPZURA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345318;MM345318;C#CC1NC1C(C)(C)NC;RSQRVZUTGDYLQZ-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345319;MM345319;COC(C#CC(C)C)=NO;FYBNEUMZBHSVKU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345320;MM345320;C#CC1OC1C(C)(O)CN;OMZJIWJZQMJJMQ-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345321;MM345321;COC=CC=C(C)CCO;PLHMKKXROYDPOG-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345322;MM345322;C#CC1OC1C(C)(F)CC;GEFIIURJGWATFI-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345323;MM345323;COC(C#CC(C)F)=NO;NUJJAEBPCPBXLR-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345324;MM345324;C#CC1OC1C(C)(F)CN;DRPTYDKWEPOARB-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345325;MM345325;C=CCC(=C)CC1CC1O;NYBAKLDABPIJGW-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345326;MM345326;C#CC1CN1C(C)(C)CC;DKJYJUFUUBWRLM-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345327;MM345327;C=CC(C#CC(C)C)=CC;ZMIWSTQGZTWDAD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345328;MM345328;C#CC1CN1C(C)(C)CN;IGGPWNKIOBMTMO-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345329;MM345329;C=CC(C#CC(C)C)=CF;GNMPXJYOYYASLC-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345330;MM345330;CCC(C)=NOCC(C)=O;JYTGKMUQEZXMMX-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345331;MM345331;CC=C(C#CC(C)C)C=O;AYUKLTAVGANIDT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345332;MM345332;C#CC1CC1C(C)(C)C=C;DJMVFJZEDPMKAV-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345333;MM345333;CC=C(C#N)C#CC(C)C;AWHOZQONJOPOKY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345334;MM345334;C#CC1CC1C(C)(C)C#N;NEZQYIOFTYHZSF-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345335;MM345335;CC(C)C#CC(C=O)=CN;QPDRCKPJOYCWPA-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345336;MM345336;CC=CC(O)C=C(C)CC;FMUBDRWEILUXNP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345337;MM345337;CC(C)C#CC(C#N)=CN;FLJFSLHKLMCNIQ-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345338;MM345338;C#CC1CC1C(C)(O)C=O;GYCISHHHCOOELJ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345339;MM345339;CC(C)C#CC(C=O)=CF;IHBGYFDJFCOMKG-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345340;MM345340;C#CC1CC1C(C)(F)C=O;GREQHTYGHLCXTH-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345341;MM345341;CC(C)C#CC(C#N)=CF;VYWJNLIWLSIBTE-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345342;MM345342;C#CC1CC1C(C)(F)C#N;PUKSQDVHFCGOKW-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345343;MM345343;C=CC(C#CC(C)N)=CC;ZQMQOWMKCPPFKP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345344;MM345344;C#CC1NC1C(C)(C)C=C;MPTDLNGSHATIBT-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345345;MM345345;C=CC(C#CC(C)N)=CF;ZTZPCURGVGTHNV-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345346;MM345346;C#CC1NC1C(C)(C)C#N;CXZVAEFZVYOPNC-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345347;MM345347;C=CC(C#CC(C)O)=CC;CHOXQYVZQCLFNA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345348;MM345348;C=CC(CCO)CC(=C)F;AYFSJFHQPXPJMU-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345349;MM345349;C=CC(C#CC(C)O)=CF;JYVRGLOQXVLAER-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345350;MM345350;N=C(NOCC=O)OC=O;SXECKHWYHFLSCF-UHFFFAOYSA-N;146.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345351;MM345351;CC=C(C#CC(C)O)C=O;NEOKVIQCAIYGIL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345352;MM345352;C#CC1NC1C(C)(F)C=O;DDLHMLOLXCWGJN-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345353;MM345353;CC=C(C#N)C#CC(C)O;QCNPPTQSXDRAHA-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345354;MM345354;C#CC1OC1C(C)(C)C=O;QPBLMCUEVRCRLA-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345355;MM345355;CC(O)C#CC(C=O)=CN;ZWBJXBPVJLMTMI-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345356;MM345356;CC(O)C#CC(C#N)=CF;GMTOWDZUPQVFDI-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345357;MM345357;C#CC1OC1C(C)(C)C#N;IYUFHXNCIQFZFA-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345358;MM345358;C=CC(C#CC(C)F)=CC;UFOAXUPAPUTYOR-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345359;MM345359;C#CC1OC1C(C)(N)C=C;OECRWANPIXDZMM-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345360;MM345360;C=CC(C#CC(C)F)=CF;NYESZAPAJDVHRV-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345361;MM345361;C#CC1OC1C(C)(O)C=C;CUXUVVWGFZLKLJ-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345362;MM345362;CC=C(C#CC(C)F)C=O;FPTXMKMVDNQNLG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345363;MM345363;C#CC1CN1C(C)(C)C=C;CSXOIUUEKGZZKT-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345364;MM345364;CC=C(C#N)C#CC(C)F;QZSAPGOWSKVYAZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345365;MM345365;C#CC1CC1C(C)(N)C#C;WJHAKLSHZATJAH-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345366;MM345366;CC(F)C#CC(C=O)=CN;YNDLMJURQKJICD-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345367;MM345367;C#CC1CC1C(C)(O)C#C;ZETUKJIICWMZCX-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345368;MM345368;CC(F)C#CC(C#N)=CN;SAUJOSYARUXURH-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345369;MM345369;C#CC1NC1C(C)(C)C#C;HLYLHUSIBHVUFK-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345370;MM345370;CC(F)C#CC(C=O)=CF;PRGHIGMEKNQGCZ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345371;MM345371;CCON=CC(C)CC=O;JNWIELVYMGEPSC-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345372;MM345372;CC(F)C#CC(C#N)=CF;DFBUSZJMXFTXRZ-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345373;MM345373;C#CC1NC1C(C)(F)C#C;YUZAOSDRUFBFJF-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345374;MM345374;C=CC(C#CC(F)F)=CC;JXGYAMBEVQUBTE-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345375;MM345375;C#CC1OC1C(C)(C)C#C;IKNPACUFIKQXRN-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345376;MM345376;C=CC(C#CC(F)F)=CF;NDPHEQHNJFGKRN-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345377;MM345377;C#CC1OC1C(C)(N)C#C;OGDCAMVEUXPMTE-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345378;MM345378;CC=C(C#CC(F)F)C=O;MWFXETIRODXTSP-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345379;MM345379;C#CC1CN1C(C)(C)C#C;YJCMAPISHYWIMU-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345380;MM345380;CC=C(C#N)C#CC(F)F;SPRTXTDJVMIUQT-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345381;MM345381;CCC(C)(C)C(C)C1CC1;FTIMMXKVJMJTIY-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345382;MM345382;NC=C(C#CC(F)F)C=O;UOXNKFURYLWHBW-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345383;MM345383;CCC(C)(N)C(C)C1CC1;LTKZBWVFLRTTFV-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345384;MM345384;O=CC(C#CC(F)F)=CF;MAGJWTLTNXDZOQ-UHFFFAOYSA-N;148.08;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345385;MM345385;CC(C1CC1)C(C)(N)CN;WBJDMWHSEUCJKY-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345386;MM345386;N#CC(C#CC(F)F)=CF;GRCCYRFCSUKPDE-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345387;MM345387;CC(C1CC1)C(C)(N)CO;ZMXYALJYKHIZGP-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345388;MM345388;C=CC(C#CC(C)C)=NN;ANAJGDFFMZBTGF-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345389;MM345389;CNC(C)(C)C(C)C1CC1;YLFYEQHUHCHQSF-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345390;MM345390;C=CC(C#CC(C)C)=NO;HTUMVODMOYHPAR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345391;MM345391;Cc1cc(=N)c(=O)nn[nH]1;SKCQIPPEYOVHQX-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345392;MM345392;COC(C)(C)C(C)C1CC1;LODQROOAPPECKP-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345393;MM345393;C=C(CC#N)CC1CC1O;SMXIUJQUBREECO-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345394;MM345394;CC(C1CN1)C(C)(C)CN;VQXGSXACLOPWSB-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345395;MM345395;C=CC(C#CC(C)O)=NO;JEWFGDZWFMASOV-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345396;MM345396;CNC(C)(C)C(C)C1CN1;XICWTEHQVMQPLI-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345397;MM345397;C=CC(C#CC(C)F)=NN;RBIBKTXANWHSLP-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345398;MM345398;CCC(C)(C)C(C)C1CO1;ZWXATZQSXPWZKQ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345399;MM345399;C=CC(C#CC(C)F)=NO;CZKCXWJFLWWBFK-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345400;MM345400;CCC(C)(N)C(C)C1CO1;SBGBRFNCDJOREJ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345401;MM345401;C#Cc1nnn(C=N)c1O;RAHQYNWHVVOZNZ-UHFFFAOYSA-N;136.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345402;MM345402;CNC(C)(C)C(C)N1CC1;OKZSRKKFWJQULP-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345403;MM345403;C#CCC(=C)CC1CC1O;OGELBBGZDUTGAH-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345404;MM345404;C=CC(C)(N)C(C)C1CC1;KLFCPVZTHISZBO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345405;MM345405;C=CC(C#CC(F)F)=NO;ISYWVEHPVZJNRC-UHFFFAOYSA-N;145.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345406;MM345406;C=CC#CCC(O)C(=C)C;AHLPEYUTQUULGW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345407;MM345407;NN=COCC(O)C(=O)O;YRWSKQSMIJTSEK-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345408;MM345408;C#CC(C)(C)C(C)C1CC1;IPKDBWLQNLHWND-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345409;MM345409;O=C(O)C(O)C=CC=NO;QXCLHDZCUYUYSJ-UHFFFAOYSA-N;145.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345410;MM345410;C#CC(C)(N)C(C)C1CC1;GSAMUAHNKVRESA-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345411;MM345411;C#CC(C#CC(C)C)=CC;FRVFSPIHMNSDIW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345412;MM345412;C#CC(C)(O)C(C)C1CC1;VTMKCHGOBZFMJK-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345413;MM345413;C#CC(C#CC(C)C)=CF;PHFSEOFKTUVUCV-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345414;MM345414;C#CC(C)(O)C(C)C1CO1;XVBFIJAQDVQYFX-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345415;MM345415;C#CC(C#CC(C)N)=CC;YHHJFHSNUDMUHV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345416;MM345416;C=C(C1CC1)C(C)(C)CC;HRZLXWBIKBZKJF-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345417;MM345417;C#CC(C#CC(C)N)=CF;KSLVJENWUIDDEE-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345418;MM345418;C#CC(C#CC(C)O)=CC;IXKDYXXCOLQGHY-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345419;MM345419;C=C(C1CC1)C(C)(C)CN;RQFUEIICHUZYPP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345420;MM345420;C#CC(C#CC(C)O)=CF;HINADNWTBDOTRQ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345421;MM345421;C=C(C(C)=O)C(C)CCO;HMXUGIABGJYERX-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345422;MM345422;C#CC(C#CC(C)F)=CC;HEJUEBGEOABGJN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345423;MM345423;C=C(C1CC1)C(C)(N)CC;VDJBOMSAGDLDPD-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345424;MM345424;C#CC(C#CC(C)F)=CF;SVBAQHQDOOYERA-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345425;MM345425;C=C(C1CC1)C(C)(C)NC;GWBFVCBFNHBOTK-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345426;MM345426;C#CC(C#CC(F)F)=CC;UYKSBKNYGMGAEW-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345427;MM345427;C=C(C1CN1)C(C)(N)CC;YRDJAIJXKZOMLF-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345428;MM345428;C#CC(C#CC(F)F)=CF;QKGHMPDQRCZVAP-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345429;MM345429;CCC(C)(C)C(=N)N1CC1;ZTGLZPNGIHJVSL-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345430;MM345430;C#CC(C#CC(C)C)=NN;CNQVWLMNKNQFEX-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345431;MM345431;C=C(C1CC1)C(C)(C)C=O;FHYQNQPZKYANNP-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345432;MM345432;C#CC(C#CC(C)C)=NO;JYEPGGJAIBBWNZ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345433;MM345433;C=C(C1CC1)C(C)(C)C#N;ZSUYZMKYAWHGJD-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345434;MM345434;C#CC(C#CC(C)F)=NN;MHPVFKOBNOXOSG-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345435;MM345435;C=CC(C)(N)C(=C)C1CC1;PNKSIHMDAYSAQF-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345436;MM345436;C#CC(C#CC(C)F)=NO;WIPUKKYHUBGVHJ-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345437;MM345437;C=C(C1CN1)C(C)(C)C#N;SFVPCTQCNUJEBU-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345438;MM345438;CCC=C(C)CC1CC1O;LCNXODWXHREXKE-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345439;MM345439;CC(C)(C#N)C(=N)N1CC1;YHOMNLNYGZSCMT-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345440;MM345440;C=C(C)C#CC(=CC)CC;VGZCCSDANYQPRO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345441;MM345441;C#CC(C)(C)C(=C)C1CC1;GATMZSCRTNQDMP-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345442;MM345442;C=C(C)C#CC(=CF)CC;ISXYJMDEDHOKAZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345443;MM345443;C#CC(C)(N)C(=C)C1CC1;CRQYMZSAUMEIEY-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345444;MM345444;C=C(C)C#CC(=CC)CN;NXVSJPHJFKDKSI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345445;MM345445;C#CC(C)(O)C(=C)C1CC1;GGQBMVVBRCMFGO-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345446;MM345446;C=C(C)C#CC(=CF)CN;LXBNDWSEJACZKI-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345447;MM345447;C#CC(C)(F)C(=C)C1CC1;QICODNZAHXWPQL-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345448;MM345448;C=C(C)C#CC(=CC)CO;NKSZAHKRXFOGGE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345449;MM345449;C#CC(C)(N)C(=C)C1CN1;XUJJRBSGVNPHSG-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345450;MM345450;C=C(C)C#CC(=CF)CO;UXILDHJDWHQRFK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345451;MM345451;C#CC(C)(O)C(=C)C1CO1;BWRKPSYJMPXLKN-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345452;MM345452;C=C(C)C#CC(=CC)CF;YUQBORJLFVPBFG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345453;MM345453;C#CC(C)(C)C(=N)N1CC1;PKHNYWVHEKHHRV-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345454;MM345454;C=C(C)C#CC(=CF)CF;VIBOIZSWXFHACQ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345455;MM345455;CCC(C)(C)CCC1CC1;AOAQMSNSAZZMNZ-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345456;MM345456;CC=C(C#CC(C)=O)CC;RZIYNWFAAVXYPK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345457;MM345457;CC(C)(CN)CCC1CC1;ANTPNFKBGSPEJN-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SC5";;;;;;;1.94;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345458;MM345458;CCC(C#CC(C)=O)=CF;UNHGTNKYHGUAIL-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345459;MM345459;C=CCC(C=CF)CCO;ODLQHBXVLYGWMZ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345460;MM345460;CC=C(C#CC(C)=O)CO;SZMMYTVNHKYCFB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345461;MM345461;CC(C)(CF)CCC1CC1;HREUIRJVZRIRDT-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345462;MM345462;CC=C(C#CC(C)=O)CF;MOXOQIULUPYDHO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345463;MM345463;CCC(C)(N)CCC1CC1;GELYPSNDFCKNTJ-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345464;MM345464;CC(=O)C#CC(=CF)CF;NZCSTEDNFMZVPP-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345465;MM345465;CC(N)(CN)CCC1CC1;PELKCJYCOFSYGK-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345466;MM345466;CC=C(C#CC(=N)N)CC;KELDNVJDPSWAMY-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345467;MM345467;CC(N)(CO)CCC1CC1;NBPKJSKQYHNKPS-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345468;MM345468;CC=C(C#CC(=N)N)CN;CUKJSJGQNFPZPQ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345469;MM345469;CC(N)(CF)CCC1CC1;CZFNGCDQYYTIKL-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345470;MM345470;N=C(N)C#CC(=CF)CN;MGJIQXBMXZIRLM-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345471;MM345471;CC=CC(CC=O)CCO;RZKNDWWBNSGHCV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345472;MM345472;CC=C(C#CC(N)=O)CC;WXLAEIRTVHZYJS-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345473;MM345473;CC(O)(CN)CCC1CC1;UWIGEBZDCYLIBR-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345474;MM345474;CC=C(C#CC(N)=O)CN;LOTZRRHWOSMTSQ-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345475;MM345475;CC(O)(CF)CCC1CC1;OUCCHRSOSBLUAS-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345476;MM345476;NCC(C#CC(N)=O)=CF;TVOAHRIRJZIBKI-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345477;MM345477;CCC(C)(F)CCC1CC1;BVJAWHDLALQPNI-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345478;MM345478;CC=C(C#CC(N)=O)CO;VCDGOFOZPLQIKU-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345479;MM345479;CC(F)(CN)CCC1CC1;BHBOXAVXKNTWLI-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345480;MM345480;CC=C(C#CC(N)=O)CF;JOLNASJIOZPGKY-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345481;MM345481;CNC(C)(C)CCC1CC1;GCURZSJLGGGEMO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345482;MM345482;CC=C(C#CC(=O)O)CC;KAFYGICQCPYAOK-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345483;MM345483;COC(C)(C)CCC1CC1;VIHITYHZBCYUSO-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345484;MM345484;CCC(C#CC(=O)O)=CF;AREBZDWJKBOOJJ-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345485;MM345485;CCC(C)(C)NCC1CC1;ZUUOCRJYIMKPBK-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345486;MM345486;CC=C(C#CC(=O)O)CF;STLYBGFTEMGIJE-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345487;MM345487;CC(C)(CN)NCC1CC1;HVPCCLRGKFQOPH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345488;MM345488;O=C(O)C#CC(=CF)CF;LRUCRNSMIWYYJF-UHFFFAOYSA-N;146.09;0.9;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345489;MM345489;CCC(C)(C)OCC1CC1;NUTCWKZWAAUJMI-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345490;MM345490;C=C(F)C#CC(=CC)CC;UZGFQKMMQICHCF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345491;MM345491;CC(C)(CN)CNC1CC1;PNMKCQLWIOUXLG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345492;MM345492;C=C(F)C#CC(=CF)CC;VVEWXUDZKLQFAI-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345493;MM345493;CC(C)(CO)CNC1CC1;FMPYHSMBBMEIRF-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345494;MM345494;CCC(C)(N)CNC1CC1;QNKDWGQWDVGJMW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345495;MM345495;C=C(F)C#CC(=CC)CN;OMWPDWPENZLRFZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345496;MM345496;CC(N)(CN)CNC1CC1;SHSMDTPWUFOXLS-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345497;MM345497;C=C(F)C#CC(=CF)CN;GSZQDBJJNAFKNV-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345498;MM345498;CC(N)(CF)CNC1CC1;RWLDJVJWLBIQDE-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345499;MM345499;C=C(F)C#CC(=CC)CO;ZWCFXKLKQLBQPA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345500;MM345500;CCC(C)(O)CNC1CC1;FPUOEQRUGYEWHW-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345501;MM345501;C=C(F)C#CC(=CF)CO;KMSYCECUUHNIFF-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345502;MM345502;CC(O)(CF)CNC1CC1;RNUPBQWSQXZEKS-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345503;MM345503;C=C(F)C#CC(=CC)CF;LQEUIDUZBHJEGE-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345504;MM345504;CCC(C)(F)CNC1CC1;RMAVWZMLIOKMLF-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345505;MM345505;C=C(F)C#CC(=CF)CF;LJYOZGGZFYUJBQ-UHFFFAOYSA-N;146.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345506;MM345506;CNC(C)(C)CNC1CC1;KUGQAXGDFNFUQE-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345507;MM345507;C=C(C)C#CC(CC)=NN;HTHMASPDQFYZCI-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345508;MM345508;CC(C)(CO)COC1CC1;ZBDQNIKCGIEJJB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345509;MM345509;C=C(C)C#CC(CC)=NO;DTBSYMYDUCCTFM-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345510;MM345510;CCC(C)(N)COC1CC1;AXZWNOPRWIDNBF-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345511;MM345511;C=C(C)C#CC(CF)=NN;OLCMORQMCQZCSU-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345512;MM345512;CC(N)(CN)COC1CC1;ZXKRVPICVDHREQ-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345513;MM345513;CNC=C(C(=O)O)C(C)C;KTLSEMIQVXKWNQ-UHFFFAOYSA-N;143.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345514;MM345514;CC(C)(CN)CCC1CN1;FHBIIWNDIPZFGB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345515;MM345515;CNc1nc(=O)c(C)n[nH]1;HAJJPXKPVXAQBR-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345516;MM345516;CCC(C)(N)CCC1CN1;DIOVFGUGLROKGZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345517;MM345517;N=C(N)C#CC(CO)=NN;WYZQENBTBPNYOF-UHFFFAOYSA-N;140.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345518;MM345518;CC(N)(CN)CCC1CN1;VECUXTBGBOBKSA-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345519;MM345519;C=CC=C(C)CC1CC1O;HPOOYRWZKSTVDH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345520;MM345520;CC(N)(CO)CCC1CN1;JQSIHIXZGVQDOZ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345521;MM345521;CCC(C#CC(N)=O)=NO;HPAYTASJRWSNCI-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345522;MM345522;CC(N)(CF)CCC1CN1;MRSGFEPFHDKFGN-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345523;MM345523;CC(=CC=O)CC1CC1O;CJFJIYMTZYSPRJ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345524;MM345524;CC(O)(CN)CCC1CN1;YHPOQTLSOVUWCD-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345525;MM345525;O=c1[nH]c(=NO)nno1;MESSDBPVMSYFIJ-UHFFFAOYSA-N;130.06;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345526;MM345526;CC(F)(CN)CCC1CN1;ZHKBQPIKUPNUMO-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345527;MM345527;C=CCC1=CC(O)C(=C)C1;JCXVJEJUYRITCR-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345528;MM345528;CNC(C)(C)CCC1CN1;WSVNFDORJBXVAE-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345529;MM345529;O=CCC(=O)C(=O)C=O;OONLUXUUWPUJOU-UHFFFAOYSA-N;128.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345530;MM345530;CCC(C)(C)NCC1CN1;LXAUFLFQGOJAFA-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345531;MM345531;CC(=O)N(C=O)CC(=O)O;XUJZVFFKTAXZRH-UHFFFAOYSA-N;145.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345532;MM345532;CC(C)(CN)NCC1CN1;VQZRTFGNMJNIEL-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345533;MM345533;O=c1oc(O)c(C(F)F)o1;LARJATIHUWPZFT-UHFFFAOYSA-N;152.05;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345534;MM345534;CCC(C)(C)CCC1CO1;FQZDYMNAYVUNLX-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345535;MM345535;COc1nc(=O)c(F)n[nH]1;FEYRMFIPFHJIPA-UHFFFAOYSA-N;145.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345536;MM345536;CC(C)(CN)CCC1CO1;OUTUSVWSDZYJQO-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNa";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345537;MM345537;C=C(F)C#CC(CC)=NN;JTIPDBAXIWZGBJ-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345538;MM345538;CCC(C)(N)CCC1CO1;UCNQECWSNKNWFO-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345539;MM345539;C=C(F)C#CC(CC)=NO;DOKDXMUMZNYHJS-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345540;MM345540;CC(N)(CN)CCC1CO1;CYZNVYFDPUOANT-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345541;MM345541;C=C(F)C#CC(CF)=NN;UIVXDBRPMXFLRE-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345542;MM345542;CC(N)(CO)CCC1CO1;VKJZVUYVBDWSKU-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345543;MM345543;Cc1[nH]n(O)c(=O)c1O;JEZNKBIYOBFJNV-UHFFFAOYSA-N;130.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345544;MM345544;CCC(C)(O)CCC1CO1;KRNHMNULNNEQRN-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345545;MM345545;C=C(C)C#CC(=NC)NC;HLHGKTNFIKSAKR-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345546;MM345546;CC(O)(CO)CCC1CO1;HETGUPOJTUBEPR-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345547;MM345547;CC(C)=C(C)CC1CC1O;HWAMSLZQKGUTRV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345548;MM345548;CC(O)(CF)CCC1CO1;LBQRTAYFRAXWNC-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345549;MM345549;CC(F)=C(C)CC1CC1O;FFYGRWQDPDXAFM-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345550;MM345550;CN=C(C#CC(=N)N)NO;JBMPYKVHDKPMLQ-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345551;MM345551;CCC(C)(F)CCC1CO1;CRRXNMZJMHQZSC-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345552;MM345552;N=C(N)C#CC(=NN)NO;NAYZENVNNQULRF-UHFFFAOYSA-N;141.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345553;MM345553;CC(F)(CN)CCC1CO1;RHXWTCDFOJABIK-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345554;MM345554;N=C(N)C#CC(=NO)NO;RPAREZKAJJVVBL-UHFFFAOYSA-N;142.12;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345555;MM345555;CNC(C)(C)CCC1CO1;USCPXZPUYUIPCF-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345556;MM345556;C#CC1CC1(C)C(=C)CO;NODUQWIKXNKYTJ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345557;MM345557;CCC(C)(C)OCC1CO1;MFASXWKINCTMCP-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345558;MM345558;C=NN=COCC(C)C=O;DWTPBVYWNBDRTI-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345559;MM345559;CC(C)(CN)CCN1CC1;WTHHLLQXKPWKAS-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345560;MM345560;C#CC#CCCC(O)C=C;SOHBWDJKZUNKJC-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345561;MM345561;CCC(C)(N)CCN1CC1;RJSYHBMGAQZRNY-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345562;MM345562;NC(=O)C#CC(=NO)NO;QAKZBIMKMIFFDL-UHFFFAOYSA-N;143.1;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345563;MM345563;CC(N)(CN)CCN1CC1;QBHVERRUUPJHMZ-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345564;MM345564;C=C(F)C#CC(=NC)NC;ORBXHOGHYVTXRW-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345565;MM345565;CC(N)(CO)CCN1CC1;OKTWPJOEXROUFO-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345566;MM345566;C=CC#CC=CC(O)CC;SXOKJAJJLDOOKS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345567;MM345567;CC(N)(CF)CCN1CC1;FNBMYGNWSDSUBN-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345568;MM345568;C=NNCC(C#CC)C=O;ZIACWEIUVXFELS-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345569;MM345569;CC(O)(CN)CCN1CC1;CKZBBPKNBFUIFM-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345570;MM345570;C=C(F)C#CC(=NO)NO;QWBUFBQJOSJBGG-UHFFFAOYSA-N;144.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345571;MM345571;O=CCC(C=CF)CCO;HEWCIAMOKSFJIQ-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345572;MM345572;C=C(C)C#CC(=CC)OC;DENRJTINCSYMLS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345573;MM345573;CNC(C)(C)CCN1CC1;GMHNWSITXHWBNI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345574;MM345574;C=C(C)C#CC(=CF)OC;JVJKGEPUXHKQAH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345575;MM345575;C=CC(C)(C)CCC1CC1;VBBBPIKGMXWUOM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345576;MM345576;CC=C(C#CC(C)=O)OC;WATDMTCVSLBFCQ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345577;MM345577;CC(C)(C=O)CCC1CC1;FPRCNTKGJAAAGU-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345578;MM345578;COC(C#CC(C)=O)=CF;HQXLJOHPGQROQA-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345579;MM345579;CC(C)(C#N)CCC1CC1;UPJPPPWMZOOOPV-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345580;MM345580;CC=C(C#CC(=N)N)OC;IEGTXYJYMMHJSX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345581;MM345581;C=CC(C)(N)CCC1CC1;OVCLQQJMMUQZIG-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345582;MM345582;CC=C(C#CC(N)=O)OC;YOTWNQBSJKABNI-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345583;MM345583;COC(C#CC(N)=O)=CF;QNNJAWOIDKJALT-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345584;MM345584;N#CC1(C=O)CC(=O)CN1;KKQSYBCRIMNCRW-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345585;MM345585;NN=C(CO)C(=O)O;PRNDNOROHKNVGY-UHFFFAOYSA-N;118.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345586;MM345586;CC(O)(C=O)CCC1CC1;HTBMYWIKAJABSN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345587;MM345587;Nn1nc(O)[nH]c1=O;RFUUOGMETNERHK-UHFFFAOYSA-N;116.08;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345588;MM345588;CC(O)(C#N)CCC1CC1;PCOYJGNCVOHRJP-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345589;MM345589;C=C(F)C#CC(=CC)OC;PPAKEVUSFGKSJU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345590;MM345590;C=CC(C)(F)CCC1CC1;VIWQCBZFJZCJKL-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345591;MM345591;C=C(F)C#CC(=CF)OC;AKCUNTIIGQRICU-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345592;MM345592;N#CC(F)(F)CCC1CC1;OLNAMCYXDGJVFJ-UHFFFAOYSA-N;145.15;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345593;MM345593;C=C(CCC)C(=CC)CO;IWMKZPQZXLOHKQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345594;MM345594;C=CC(C)(C)NCC1CC1;OGEHLGUOGPHBSE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345595;MM345595;CC=C(CO)C(C)=CCC;NARZSXPFTYZYIF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345596;MM345596;CC(C)(C=O)NCC1CC1;NQIMIXAPNSUKBY-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345597;MM345597;C=CC1(C=C)CC1CCO;SBRXSROTZDZXAS-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345598;MM345598;CC(C)(C#N)NCC1CC1;FJBUSUFBMHSXCA-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345599;MM345599;C=CC(C#CC(=C)C)=CC;DAZLZCPIWZTAOG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345600;MM345600;CC(C)(C=O)OCC1CC1;LGSHAPIEQPXAQZ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345601;MM345601;C=CC(C#CC(=C)C)=CF;LAZIGSXVHVODCT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345602;MM345602;CC(C)(C#N)OCC1CC1;ZDFHKTQBTWANAX-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345603;MM345603;C=C(C)C#CC(C=O)=CC;ACVMCWPYKQVEIV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345604;MM345604;C=CC(C)(C)CNC1CC1;WYTABSYDQYHNOF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345605;MM345605;C=C(C)C#CC(C#N)=CC;LGOFGRJACLJRMU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345606;MM345606;CC(C)(C=O)CNC1CC1;QZZNAFAADZCCEZ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345607;MM345607;C=C(C)C#CC(C=O)=CN;WNYYZJCJKROKGP-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345608;MM345608;C=CC(C)(N)CNC1CC1;CRJUODBWFONEBL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345609;MM345609;C=C(C)C#CC(C#N)=CN;ICMAHJYFGOITQF-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345610;MM345610;CC(O)(C=O)CNC1CC1;CWEALESYJVECJF-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345611;MM345611;C=C(C)C#CC(C=O)=CF;CRSJGXANXFFJJK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345612;MM345612;CC(F)(C#N)CNC1CC1;XVOOJNXMXKCBBW-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345613;MM345613;C=C(C)C#CC(C#N)=CF;FPDIUJGLOKKXIA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345614;MM345614;C=CC(C)(C)COC1CC1;KUUPRUPQVCQKMG-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345615;MM345615;C=CC(C#CC(C)=O)=CC;JMVQSDJAMXDESB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345616;MM345616;C=CC(C)(O)COC1CC1;AGVAHQYRNZDBPQ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345617;MM345617;C=CC(C#CC(C)=O)=CF;LMNPERSIPZESQO-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345618;MM345618;C=CC(C)(N)CCC1CN1;CBOASTSEPLUOKV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345619;MM345619;CC=C(C#CC(C)=O)C=O;OWJKCPVRGGEJFT-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345620;MM345620;CC=C(C#N)C#CC(C)=O;FULVLDWCODJHDH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345621;MM345621;C=CC(C)(C)NCC1CN1;KFZKTHDYWVFTJY-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345622;MM345622;CC(=O)C#CC(C=O)=CF;JFQYHNSOENTQTB-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345623;MM345623;C=CC(C)(C)CCC1CO1;ZHOSAWFEVQIKDQ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345624;MM345624;CC(=O)C#CC(C#N)=CF;DGBCSOWMGMDOFR-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345625;MM345625;CC(C)(C=O)CCC1CO1;DNURNJUWNBXOJH-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345626;MM345626;C=CC(C#CC(=N)N)=CC;IQMAFNNMLMOQQJ-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345627;MM345627;CC(C)(C#N)CCC1CO1;ZDPCKFOYPUEGST-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345628;MM345628;N=C(N)C#CC(C=O)=CN;SAPQCNCIONUNJX-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345629;MM345629;C=CC(C)(N)CCC1CO1;NTLCKQMLQZPBOZ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345630;MM345630;N#CC(C#CC(=N)N)=CN;PYEYXSWXCIIYJU-UHFFFAOYSA-N;134.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345631;MM345631;C=CC(C)(O)CCC1CO1;ITQDBAZXKMGEMZ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345632;MM345632;C=CC(C#CC(N)=O)=CC;DFHCXXQAJYGUQE-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345633;MM345633;CC(O)(C=O)CCC1CO1;ZUBLCQGDDIKRRM-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345634;MM345634;CC=C(C#N)C#CC(N)=O;CLKJIOWWFLWIPC-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345635;MM345635;CC(O)(C#N)CCC1CO1;MQSCAXNEPLQAJP-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345636;MM345636;NC=C(C#CC(N)=O)C=O;GSRWVUYUHOIAMO-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345637;MM345637;N#CC(F)(F)CCC1CO1;IBRUJZIQNRKGRK-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345638;MM345638;C=CC(C#CC(=O)O)=CC;DOMTUQIDPZFPSS-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345639;MM345639;CC(C)(C=O)CCN1CC1;GUNDSMDRSVOJIX-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345640;MM345640;C=CC(C#CC(=O)O)=CF;YBJBADNXIVRKPS-UHFFFAOYSA-N;140.11;1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345641;MM345641;CC(C)(C#N)CCN1CC1;IBSUTZDEGMDKHS-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345642;MM345642;CC=C(C#N)C#CC(=O)O;DPKHMMRTWDSEDT-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345643;MM345643;C=CC(C)(N)CCN1CC1;FWUQEOIQSACRNX-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345644;MM345644;O=CNCC(O)C(=O)O;MGZKLMXORRUSMO-UHFFFAOYSA-N;133.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345645;MM345645;C#CC1(CC(=O)C#N)CN1;GHZUXRDHRXFSAN-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345646;MM345646;NN=COC(CO)C(=O)O;GEMCXUJEHDQGPA-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345647;MM345647;CCC(O)CC#CC=NN;RTESTBIVYJUUMN-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345648;MM345648;C=CC(C#CC(=C)F)=CC;LBJPDXDRGAYAKX-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345649;MM345649;CC(F)(C=O)CCN1CC1;OFKCHWSTOJQGOO-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345650;MM345650;C=CC(C#CC(=C)F)=CF;UHRSRAGBAXQRDC-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345651;MM345651;C#CC(C)(C)CCC1CC1;LPFPHMPXIMIKSD-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345652;MM345652;C=C(F)C#CC(C=O)=CC;IDLGVVBEPCIEGO-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345653;MM345653;C#CC(C)(N)CCC1CC1;CCCDJSYHHGIVQC-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345654;MM345654;C=C(F)C#CC(C#N)=CC;GCQAYLXEENJQHN-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345655;MM345655;C#CC(C)(F)CCC1CC1;GMYMEJGQOHMJTF-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345656;MM345656;C=C(F)C#CC(C=O)=CN;WUDKPKKYLSNXKH-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345657;MM345657;C#CC(C)(C)NCC1CC1;PYLDTTNMCYHNCG-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345658;MM345658;C=C(F)C#CC(C#N)=CN;UHEVPJSXZLWGFK-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345659;MM345659;C#CC(C)(C)CNC1CC1;YPDDEOJJOCDZAK-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345660;MM345660;C=C(F)C#CC(C=O)=CF;DFROFNIPHMHVKC-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345661;MM345661;C#CC(C)(N)CNC1CC1;JSVORADOWBLMTL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345662;MM345662;C=C(F)C#CC(C#N)=CF;BCQQEFYJMGTUDO-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345663;MM345663;C#CC(C)(O)CNC1CC1;PVEKIMZVSGLERJ-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345664;MM345664;C=CC(C#CC(=C)C)=NN;GNOSQKSFDSQWTM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345665;MM345665;C#CC(C)(N)CCC1CN1;SISCPAVMZMKZKV-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345666;MM345666;C=CC(C#CC(=C)C)=NO;WJAJSZUAQZDPPN-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345667;MM345667;C#CC(C)(C)NCC1CN1;MOHJIDZSFVBWEN-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345668;MM345668;C#CC(C)(OC=C)C(=O)O;JYXUWWFCWDVRJZ-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345669;MM345669;C#CC(C)(C)CCC1CO1;BEHYKLALUQPJOO-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345670;MM345670;C#CC(O)C#CCC(=O)O;YAYFFRCQNGMTDN-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345671;MM345671;C#CC(C)(N)CCC1CO1;FSPGSKWVQARXOG-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345672;MM345672;C=CC(C#CC(=N)N)=NN;YHCQNRKMDZLOAD-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345673;MM345673;C#CC(C)(O)CCC1CO1;DZRQQEOCIDLCAT-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345674;MM345674;C=CC1(C=O)CC1CCO;SIELTEXGZJOHBN-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345675;MM345675;C#CC(C)(F)CCC1CO1;IKLMBHXAMDKQLF-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345676;MM345676;CONC(=O)C(=O)C=CN;YTPHERPXBOQCMT-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345677;MM345677;C#CC(C)(N)CCN1CC1;MUWIYNNAMVBVIW-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345678;MM345678;CCC(=O)NC(=N)C(=O)O;IJYLGMYWYPDFSS-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345679;MM345679;CCN(C)N=CCCC=O;MAWWSGMXYDHBIG-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345680;MM345680;Cc1c(F)noc1O;IAYPLQKXBSADKU-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345681;MM345681;CCC(C)(C)C=CC1CC1;QWWIJDMRUSHRLY-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345682;MM345682;C=CC(C#CC(=C)F)=NN;TXCPLGRJTXUZFJ-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345683;MM345683;CC(C)(C=CC1CC1)CN;WFGUVLPACDUZOY-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SC5";;;;;;;1.94;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345684;MM345684;C=CC(C#CC(=C)F)=NO;HHDJVOORPZBNTH-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345685;MM345685;CCC(C)(N)C=CC1CC1;QYZNDHLKVSTQIF-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345686;MM345686;N#CC#Cc1noc(O)n1;SJNITIOEFQKPAM-UHFFFAOYSA-N;135.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345687;MM345687;CC(N)(C=CC1CC1)CN;DYOLPWKIECYXTR-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345688;MM345688;C=Cc1n[nH]n(C=C)c1=O;SHIAIKZKKXVJBO-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345689;MM345689;CC(N)(C=CC1CC1)CO;STZHCEWBMRYYLP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345690;MM345690;C#CC(C#CC(=C)C)=CC;HWNJVMPLPQIARZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345691;MM345691;CCCNN=CC(F)C#N;BXZSPFJYJMEMBO-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345692;MM345692;C#CC(C#CC(=C)C)=CF;XLFNSBLONFLZJV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345693;MM345693;CC(O)(C=CC1CC1)CO;PUVBNXXVTVQELV-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345694;MM345694;C#CC(C#CC(C)=O)=CC;FGKOSEPKNYZRCY-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345695;MM345695;CC(O)(C=CC1CC1)CF;KVTXFPVUYQNJNO-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345696;MM345696;C#CC(C#CC(C)=O)=CF;OLBQDMWYWORYPT-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345697;MM345697;CCC(C)(F)C=CC1CC1;UTKHFGIAETVRBH-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345698;MM345698;C#CC(C#CC(=N)N)=CC;MQAGHMOOKFPTIF-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345699;MM345699;CNC(C)(C)C=CC1CC1;HQOVMSKQEPFQBD-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345700;MM345700;C#CC(C#CC(=N)N)=CF;UEIWCUNDOSIXMM-UHFFFAOYSA-N;136.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345701;MM345701;COC(C)(C)C=CC1CC1;OWSQPFDLPYUMMC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345702;MM345702;C#CC(C#CC(N)=O)=CC;AMVOFUHDQLECPT-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345703;MM345703;CC(C)(C=CC1CN1)CN;LIOVOGPDJCTBKT-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345704;MM345704;C#CC(C#CC(N)=O)=CF;HBELYZOMJAGIEJ-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345705;MM345705;CCC(C)(N)C=CC1CN1;DTSDDSXSSAMLMG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345706;MM345706;C#CC(C#CC(=O)O)=CC;AXEJYIFFWUQCEO-UHFFFAOYSA-N;134.13;0.65;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345707;MM345707;CC(N)(C=CC1CN1)CN;JUZWUMRHPVTUTH-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345708;MM345708;C#CC(C#CC(=C)F)=CC;IIGPYIDWTFQOHI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345709;MM345709;CC(F)(C=CC1CN1)CN;JHEZOQGKXKFKSV-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345710;MM345710;C#CC(C#CC(=C)F)=CF;JLFDQFZUFZURGA-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345711;MM345711;CNC(C)(C)C=CC1CN1;VJRATVQPKVVEIB-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345712;MM345712;C#CC(C#CC(=C)C)=NN;OWVVNFJVTCERCP-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345713;MM345713;CCC(C)(C)C=CC1CO1;UZCSRIKBLPMIEF-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345714;MM345714;C#CC(C#CC(=C)C)=NO;VMTQVFMQQLMMAB-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345715;MM345715;CC(C)(C=CC1CO1)CN;UWCLXPDAFKINRU-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNa";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345716;MM345716;C#CC(C#CC(=N)N)=NN;UIEXYICSWKFLOT-UHFFFAOYSA-N;134.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345717;MM345717;CCC(C)(N)C=CC1CO1;BDCXSHUPTWVXAT-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345718;MM345718;CC=C(CC)CC1CC1O;RSJMUDKPQNNBRG-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345719;MM345719;CC(N)(C=CC1CO1)CN;KVONUNBDEDEFSY-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345720;MM345720;C#CC(C#CC(=C)F)=NN;GUBMYHCXWGHUSL-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345721;MM345721;CCC(C)(O)C=CC1CO1;RIHGGCUHSSFTLA-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345722;MM345722;CCC(CC)CC=C(C)C;FYSBNWRXMIDYRI-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345723;MM345723;CC(O)(C=CC1CO1)CF;HMVOITSOGATPJN-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345724;MM345724;CCC(CN)CC=C(C)C;IVRVJZVTPNHAOP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345725;MM345725;CNC(C)(C)C=CC1CO1;SMRUVULVFSANGV-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345726;MM345726;CCC(=CF)CC1CC1O;FNEVNVJKVXJARO-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345727;MM345727;CCC(C)(C)N=CN1CC1;QTEHNPRXIFIKJC-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345728;MM345728;CCC(CF)CC=C(C)C;GLTWXZRJRMRDBL-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345729;MM345729;CC(C)(CO)N=CN1CC1;QWHAUERWTABONR-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345730;MM345730;CC(C)=CCC(CF)CF;ZYEAGIUCMMDFFW-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345731;MM345731;CCC(C)(C)C=NN1CC1;QLGBEMFNBASIQF-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345732;MM345732;CCC(CC)CC=C(C)F;AICVQOJDBURZNU-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345733;MM345733;CC(C)(C=NN1CC1)CF;ARBMMIHUOQFMKA-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345734;MM345734;CCC(CN)CC=C(C)F;QZPNXDKDVIOLHM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345735;MM345735;CCC(C)(N)C=NN1CC1;DWFPXUKXLDMPLM-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345736;MM345736;OC1CC1CC(=CF)CF;MGBFUKMBUYRGQD-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345737;MM345737;CC(N)(C=NN1CC1)CN;KOYQPODQCNIJCG-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345738;MM345738;CCC(CF)CC=C(C)F;HZPFLJIMIMIWJZ-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345739;MM345739;C=CCNN=CC(F)C#N;HGCCCOUSLPIYLH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345740;MM345740;CC(F)=CCC(CN)CF;IIEGLKATJQEFEP-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345741;MM345741;C=CC(CC=CF)CCO;MQNOPIYGOZCNMQ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345742;MM345742;CC(F)=CCC(CO)CO;FLRJOPADOJVHSX-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345743;MM345743;C=CC(CC=NN)CCO;HPZNNTSRIBIMFW-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345744;MM345744;CC(F)=CCC(CO)CF;QNRNTOCGGQBIPM-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345745;MM345745;CCC(C)(F)C=NN1CC1;AUXPEZKXGIXSHK-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345746;MM345746;CC(F)=CCC(CF)CF;NPTDHTYHTYWPEL-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345747;MM345747;COC(C)(C)C=NN1CC1;BFINTKHGLIZDBD-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345748;MM345748;CCC(CC)CC=C(F)F;RGEYTBHGXJNSEZ-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345749;MM345749;C=CC(C)(C)C=CC1CC1;DADBRHXDYRWKKK-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345750;MM345750;CCC(CN)CC=C(F)F;QKEUSSGLTDAFDL-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345751;MM345751;CC(C)(C=O)C=CC1CC1;NOZAVDDLNNZNPY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345752;MM345752;CC#CC1=NCC(NC)=N1;NUYLISYYIYKLRT-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345753;MM345753;CC(C)(C#N)C=CC1CC1;OVKGTZYXDIYVQZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345754;MM345754;CCC(CF)CC=C(F)F;KDOYNVDSWVVRGM-UHFFFAOYSA-N;152.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345755;MM345755;C=CC(C)(N)C=CC1CC1;HWBNVECOEFJYGT-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345756;MM345756;OCC(CO)CC=C(F)F;WJGOOESTUOIJEB-UHFFFAOYSA-N;152.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345757;MM345757;C=CC(CC=O)NN=CC;BOELFNLQOSWUCU-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345758;MM345758;OCC(CF)CC=C(F)F;OFRVNJTWIXIWDD-UHFFFAOYSA-N;154.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345759;MM345759;CC(O)(C=O)C=CC1CC1;NIZUJSXEPQXDMF-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345760;MM345760;CCC(CC=C(C)C)NC;GJYAAHCJEFQYFL-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345761;MM345761;CC(O)(C#N)C=CC1CC1;ZZSOYIGJGDNTCQ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345762;MM345762;CNC(CN)CC=C(C)C;IKYVSZYXSQNQDW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345763;MM345763;C=CC(C)(F)C=CC1CC1;RIPGQDRFUHTZLG-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345764;MM345764;CC(F)(C=O)C=CC1CC1;SLKKBBKREXGVPU-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345765;MM345765;CCC(CC=C(C)F)NC;QIXCGAZZGYWYHW-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345766;MM345766;C=CC(C)(C)C=CC1CO1;WGFKQBUSWUQIDS-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345767;MM345767;CNC(CF)CC=C(C)F;YDUYOXPWZYWWHK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345768;MM345768;CC(C)(C#N)C=CC1CO1;ISAYKELDRKZPLX-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345769;MM345769;CCC(CC=C(F)F)NC;KZFMKNYBULAAHK-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345770;MM345770;C=CC(C)(N)C=CC1CO1;DDDVKEQYDFQUJO-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345771;MM345771;CNC(CN)CC=C(F)F;FUCMYCFQZXOTNQ-UHFFFAOYSA-N;150.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345772;MM345772;CC(O)(C#N)C=CC1CO1;CVSKVXWNRALKCD-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345773;MM345773;CNC(CF)CC=C(F)F;WOKSFTXDGPCJLX-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345774;MM345774;C=CC(C)(C)N=CN1CC1;ZYXKWKYUVZPPRK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345775;MM345775;CCC(CC=C(C)C)OC;YZCAHMOFQKANPW-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345776;MM345776;C=CC(C)(C)C=NN1CC1;ZRDSMAGXNWKBOV-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345777;MM345777;COC(CN)CC=C(C)C;KBOFNZYOWLDHPN-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345778;MM345778;CC(C)(C#N)C=NN1CC1;LEAFPKJJJWYPMU-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345779;MM345779;COC(CO)CC=C(C)C;GOCNRTCNABUAKY-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345780;MM345780;CCNN=C(C#N)C(C)=O;PDHZVCHPUZWITI-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345781;MM345781;CCC(CC=C(C)F)OC;WZRIIFVRUVWMJJ-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345782;MM345782;CC(O)(C#N)C=NN1CC1;AOYNUMQPNDMYND-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345783;MM345783;COC(CN)CC=C(C)F;ARLPGMMKOMYRDW-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345784;MM345784;CC(F)(C=O)C=NN1CC1;ONKYNTMJKKOKLY-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345785;MM345785;COC(CO)CC=C(C)F;YEHMFUVSAFUSDL-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345786;MM345786;C#CC(C)(C)C=CC1CC1;IGVTXMXAOZTDRI-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345787;MM345787;CCC(CC=C(F)F)OC;WMUNPVWUSGSLAO-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345788;MM345788;C#CC(C)(N)C=CC1CC1;VURNVNVKPVVNHT-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345789;MM345789;COC(CF)CC=C(F)F;UWZGJXSELSMBHM-UHFFFAOYSA-N;154.13;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345790;MM345790;COC(CC=C(C)C)OC;MYZJWLFXXKJIPB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345791;MM345791;C#CC(C)(O)C=CC1CC1;VOKHBCYWOWPAPT-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345792;MM345792;COC(CC=C(F)F)OC;BJKRWKYHAZXNAM-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345793;MM345793;C#CC(C)(F)C=CC1CC1;UNMPYOXZTZOZJA-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345794;MM345794;CCC(CC)NN=C(C)C;GVVHKVDAUPKTQQ-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345795;MM345795;C#CC(C)(N)C=CC1CN1;QRCRVSFIKHIHCP-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345796;MM345796;C#CC1C=C(CO)C(C)C1;ONRUWTUCBIFCHQ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345797;MM345797;C#CC(C)(C)C=CC1CO1;UDZNFSVPRASGPA-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345798;MM345798;CC(C)=NNC(CN)CO;FNLKEOGKAAFRLS-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345799;MM345799;C#CC(C)(N)C=CC1CO1;BEORWLLGLVQIDT-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345800;MM345800;C#CC1CC=C(CO)C1C;CLSFRSQSOCWEKG-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345801;MM345801;C#CC(C)(C)C=NN1CC1;XWORUBUIIWKVQR-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345802;MM345802;C#CC1CCC(CO)=C1C;UVCBRHHSHPIQSD-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345803;MM345803;CCC(C)(C)C#CC1CC1;QNQWOQZFHCHWDA-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345804;MM345804;CCC(CC)OC=C(C)C;SAWDAMOUASVSJB-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345805;MM345805;CC(C)(C#CC1CC1)CN;OSKJVCXPOMTEJV-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SC5";;;;;;;1.94;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345806;MM345806;CCC(CN)OC=C(C)C;LWQWYAKCFWFOEZ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345807;MM345807;C=NN(C=O)C(=NN)NC;JOUPINRGSKLZEY-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345808;MM345808;CCC(CF)OC=C(C)C;BCUWGUBPNMZDHT-UHFFFAOYSA-N;146.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345809;MM345809;CC(C)(C#CC1CC1)CF;OJQPUZOZWQTSIH-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345810;MM345810;CCC(CC)OC=C(C)F;JMOCFUCLVSAMGE-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345811;MM345811;CCC(C)(N)C#CC1CC1;VATYLNOLNWWWJM-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345812;MM345812;CCC(CN)OC=C(C)F;IIAKZLPHOBGOTN-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345813;MM345813;CC(N)(C#CC1CC1)CN;YXYVXUUADZSJBD-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345814;MM345814;CCC(CO)OC=C(C)F;LBLCFMDAMCHDTJ-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345815;MM345815;CC(N)(C#CC1CC1)CO;LMWCBQBWXPMIFD-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345816;MM345816;CCC(CF)OC=C(C)F;PNLXUPDDAVSOMO-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345817;MM345817;CCC(C)(O)C#CC1CC1;BOHTWPQJXZCTJC-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345818;MM345818;CC(F)=COC(CN)CN;HCCWYLYRDNLNKN-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345819;MM345819;CC(O)(C#CC1CC1)CN;BHOZNELWGSUFGD-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345820;MM345820;CC(F)=COC(CN)CO;QPXMZCUYWRNTBS-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345821;MM345821;CC(O)(C#CC1CC1)CO;XOHCGBXUGCXVGS-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345822;MM345822;CC(F)=COC(CO)CO;LIMUJHRGFUEZAR-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345823;MM345823;CNC(C)(C)C#CC1CC1;ZPDFWUDOVBBTOL-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345824;MM345824;CCC(CN)OC=C(F)F;DGQBMJNEKPCTCL-UHFFFAOYSA-N;151.16;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345825;MM345825;COC(C)(C)C#CC1CC1;OZDLTSFRYOEURR-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345826;MM345826;CCC(CO)OC=C(F)F;VEEPRQSXVGEOMK-UHFFFAOYSA-N;152.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345827;MM345827;CCC(C)(C)C#CC1CN1;ODDUJXNYLMLRRN-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345828;MM345828;NCC(CN)OC=C(F)F;ZVWNXBWYCFVWON-UHFFFAOYSA-N;152.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345829;MM345829;CC(C)(C#CC1CN1)CN;CXENRLIOMXHVBQ-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345830;MM345830;NCC(CO)OC=C(F)F;BEHVNUOVOUPTHX-UHFFFAOYSA-N;153.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345831;MM345831;C=CC(C=O)CON=CC;UVHLRNJBRAWXQY-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345832;MM345832;OCC(CO)OC=C(F)F;GCDRBRJVJLBLEU-UHFFFAOYSA-N;154.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345833;MM345833;CCC(C)(N)C#CC1CN1;NPHFDRQYJHUGHZ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345834;MM345834;COC(CN)OC=C(C)C;DPKZGSOTAWBGGV-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345835;MM345835;CC(N)(C#CC1CN1)CN;USSARZQIGSQCKW-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345836;MM345836;COC(CO)OC=C(C)C;FIMCRZCWAVMMCP-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345837;MM345837;CC(N)(C#CC1CN1)CO;BJKMGFHLHJVJAG-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345838;MM345838;COC(CO)OC=C(F)F;YYZLOLBHUDLBAJ-UHFFFAOYSA-N;154.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345839;MM345839;C#CCC1=NCC(NC)=N1;NNRDNBQZBVERJL-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345840;MM345840;CCC(CC)ON=C(C)C;XKDPFFIGFFODBX-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345841;MM345841;CC(O)(C#CC1CN1)CN;ZSNNEIUBIIOUHZ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345842;MM345842;CC(C)=NOC(CN)CN;CSEUKNUKXZONSA-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345843;MM345843;CCc1[nH]nc(NN)c1C;IZYNWHGBIJSHOY-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345844;MM345844;C#CC1CC1C(=CC)CO;DKZBMRANJMBTFY-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345845;MM345845;CNC(C)(C)C#CC1CN1;CEXUDYVZHQHWTJ-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345846;MM345846;CCC(OC)ON=C(C)C;OWKWLLOLOMYKBC-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345847;MM345847;COC(C)(C)C#CC1CN1;QAGBVJKCDHAHBD-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345848;MM345848;CCN(CC)CC=C(C)C;BDRPQGYMISWCCG-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345849;MM345849;CCC(C)(C)C#CC1CO1;AXCSCTWSIMQAJH-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345850;MM345850;CCN(CC)CC=C(C)F;XLELSTBNYVLEOQ-UHFFFAOYSA-N;145.22;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345851;MM345851;CC(C)(C#CC1CO1)CN;KMFNBQZDJZNOFW-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNa";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345852;MM345852;C=CC(CC)CC=C(C)C;BNJWMUUAASAUFP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345853;MM345853;C#CC(C#N)N1CC1CC;AYKHOJQURGIRBB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345854;MM345854;CCC(C=O)CC=C(C)C;PXGXNQPVWMUVJP-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345855;MM345855;CCC(C)(N)C#CC1CO1;KVJVICKPMGWXTD-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345856;MM345856;CCC(C#N)CC=C(C)C;KCDXEUCYDATIPJ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345857;MM345857;CC(N)(C#CC1CO1)CN;PVUIKRNKIIGSFR-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345858;MM345858;C=CC(CN)CC=C(C)C;KZCUDSCVBAVUBM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345859;MM345859;CC(N)(C#CC1CO1)CO;ARSFPKBLHWVTRF-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345860;MM345860;CC=NN=CNCCC=O;OKJBQIXISVCHFR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345861;MM345861;CCC(C)(O)C#CC1CO1;GNXLQAOKUIJKFS-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345862;MM345862;CC(C)=CCC(C=O)CO;HCXORFYKYNWHGE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345863;MM345863;CC(O)(C#CC1CO1)CN;NYDKLPCCNIKQBV-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345864;MM345864;CC(C)=CCC(C#N)CO;HPZNTVIRYDXEEO-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345865;MM345865;CC(O)(C#CC1CO1)CO;BJSKWVJIADSGHW-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345866;MM345866;C=CC(CF)CC=C(C)C;JDZBDTMZBOFVTP-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345867;MM345867;CNC(C)(C)C#CC1CO1;NSSLDJHFRHWIBR-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345868;MM345868;CC(C)=CCC(C=O)CF;LSHWTEPCHRJDBV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345869;MM345869;COC(C)(C)C#CC1CO1;MSDPQOLURFVLMB-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345870;MM345870;CC(C)=CCC(C#N)CF;IAYXOVNKXSLSDV-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345871;MM345871;C=CC(C)(C)C#CC1CC1;ZKONBVISNMBBIS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345872;MM345872;C=CC(CC)CC=C(C)F;ZHHWRUCVUVRTBC-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345873;MM345873;CC(C)(C#CC1CC1)C=O;JADVDHNJEONIJK-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345874;MM345874;CCC(C=O)CC=C(C)F;SKSFVZJZAYEAHC-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345875;MM345875;CC(C)(C#N)C#CC1CC1;KKYBPOYGZMWLMC-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345876;MM345876;C=CC(C)(N)C#CC1CC1;NMEOJCLKHYOGMT-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345877;MM345877;C=CC(CN)CC=C(C)F;BIZJHBYXODKEEO-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345878;MM345878;C=CC(C)(O)C#CC1CC1;YDUZHLWCOPGDMS-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345879;MM345879;C#CC1C(O)C1C=CCC;CEZNUVHLRITXOG-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345880;MM345880;CC(O)(C#N)C#CC1CC1;VPLJPWRFCNDLQX-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345881;MM345881;CC(F)=CCC(C=O)CO;UGUUXEZHHIOKPY-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345882;MM345882;C=CC(C)(F)C#CC1CC1;GYIAFSYWCATCSA-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345883;MM345883;C=CC(CF)CC=C(C)F;NBZXNOJYYDXDHU-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345884;MM345884;C=CC(C)(C)C#CC1CN1;DEHIBONPCHOMFU-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345885;MM345885;CC(F)=CCC(C=O)CF;NZHVFTYUEQSISU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345886;MM345886;CC(C)(C#CC1CN1)C=O;DTBYINZKDSYSOX-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345887;MM345887;C=CC(CC)CC=C(F)F;SAWYWCZXFYDDDQ-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345888;MM345888;CC(C)(C#N)C#CC1CN1;XMCCMMHHMACEMB-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345889;MM345889;CCC(C=O)CC=C(F)F;NDAAVPNMALYHDT-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345890;MM345890;C=CC(C)(N)C#CC1CN1;AQPUBGATJAQBNM-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345891;MM345891;C=CC12CCC(C=O)C1N2;LVSJNICPDXAGBH-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345892;MM345892;C#CC1C(CCC=O)N1C;RJMUGPUTJWCQHZ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345893;MM345893;O=CC(CF)CC=C(F)F;XVYRHRNXNHFHDD-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345894;MM345894;C#CC1=NOC(C=O)CC1;ATATYDHBDLNGAM-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345895;MM345895;C=CC(CC=C(C)C)NC;XDZVYEQBVCMMIU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345896;MM345896;C=CC(C)(C)C#CC1CO1;YPNWZSLGCIFTRT-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345897;MM345897;CNC(C=O)CC=C(C)C;LXMWJZOOZLFLJL-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345898;MM345898;CC(C)(C#CC1CO1)C=O;QXIWAGAMIIZKKA-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345899;MM345899;C=CC(CC=C(C)F)NC;DVVIZPOWLCGSNL-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345900;MM345900;CC(C)(C#N)C#CC1CO1;QPXTVBPCDZRCFS-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345901;MM345901;CNC(C=O)CC=C(C)F;IYJHZBPZPBNHOV-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345902;MM345902;C=CC(C)(N)C#CC1CO1;WXDXXADOWUQVIS-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345903;MM345903;C=CC(CC=C(F)F)NC;JDEZPJPNXSXCLD-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345904;MM345904;C=CC(C)(O)C#CC1CO1;FPDZAWJKPAJDHS-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345905;MM345905;C=CC(CC=C(C)C)OC;VZDRWGZAAKTDQW-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345906;MM345906;CC(O)(C#N)C#CC1CO1;QXPYYJLINIPPRW-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345907;MM345907;COC(C#N)CC=C(C)C;KPPHPWGOAUTACY-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345908;MM345908;C=CC(CC=C(C)F)OC;PYOAIQBCAMGOGE-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345909;MM345909;C#CC(C)(C)C#CC1CC1;RKSBHTUZMNFNSN-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345910;MM345910;COC(C#N)CC=C(C)F;IJRSZIFYALJQIY-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345911;MM345911;C#CC(C)(O)C#CC1CC1;CIYCOQJHTAKOAU-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345912;MM345912;C=CC(CC=C(F)F)OC;WWBINJMOSOVTDF-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345913;MM345913;C#CC(C)(F)C#CC1CC1;SYNZCETUSMMWAM-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345914;MM345914;COC(C#N)CC=C(F)F;VSNNSEXXCBSECH-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345915;MM345915;C#CC(C)(C)C#CC1CN1;REPJVBWSOQYXHH-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345916;MM345916;C=CC(CC)NN=C(C)C;JOAQNLDFKSUJHT-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345917;MM345917;CC(C)=CC(C)O;SAOXPNBHKSWHGW-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345918;MM345918;CC#CC1CC(O)C1;VBRNAQIVMUJPCS-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345919;MM345919;C#CC(C)(F)C#CC1CN1;HLGPYKIQIWXZFW-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345920;MM345920;C=CC1(O)C=CC=C1;BQYMHXDGZVYGCV-UHFFFAOYSA-N;108.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345921;MM345921;C#CC(C)(C)C#CC1CO1;XZWOOYLZEXNOGL-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345922;MM345922;CCC(C=O)OC=C(C)C;LSRZZZHPSSKOID-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345923;MM345923;C#CC(C)(O)C#CC1CO1;DQUMKJITPXLBDR-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345924;MM345924;CC(C)=COC(C=O)CO;IGFFMBBNPFZYSK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345925;MM345925;C#CC(C)(F)C#CC1CO1;BEYYHLUCPZQIRF-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345926;MM345926;CC(C)=COC(C#N)CO;QBETYXVPKSZKSR-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345927;MM345927;CCC(C)(CC)C1CC1C;SONGKESCSUFHEA-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345928;MM345928;C=CC(CC)OC=C(C)F;DUKNJWXVCQRCIG-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345929;MM345929;CC1CC1C(C)(CO)CO;YDVBJHNWHTVFBM-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345930;MM345930;CCC(C#N)OC=C(C)F;MGTRTJWGUXCQSY-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345931;MM345931;CCC(C)(CC)C1CC1N;SCBXVLWMMRIILE-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345932;MM345932;C=CC(CN)OC=C(C)F;WDBSXRWKVPXUOV-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345933;MM345933;CCC(C)(CN)C1CC1N;SFWKSDFGELALES-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345934;MM345934;C=CC(CO)OC=C(C)F;WXWSBQWRLNIDNJ-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345935;MM345935;CC1CC(CO)C1;YVZSAXXNQWPLNH-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345936;MM345936;CC(F)=COC(C=O)CF;IHXIGNWTGQHSDG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345937;MM345937;CCC(C)(CN)C1CC1O;UZVNNLHBEZPWGA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345938;MM345938;CC(F)=COC(C#N)CF;KHRNJUQHJKBHOX-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345939;MM345939;CC(CN)(CN)C1CC1O;BISGBIJGNQZKTJ-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345940;MM345940;CCC(C=O)OC=C(F)F;KLYDGZPDMUYORE-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345941;MM345941;CCC(N)(CC)C1CC1O;LRVRIWNGWGILFH-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345942;MM345942;N#CC(CF)OC=C(F)F;LAUCSIVGGCJDRL-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345943;MM345943;CCC(C)(CC)C1CC1F;XDWAOQFHZGEZDY-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345944;MM345944;C=CC(OC)OC=C(C)C;GFSYJAFXMBBBRS-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345945;MM345945;CC(CN)(CN)C1CC1F;NEFBGCYLVPYTIX-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345946;MM345946;COC(C#N)OC=C(C)C;CFJGIZUACNUCNY-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345947;MM345947;CCC(N)(CC)C1CC1F;QWTWOUYTDFPYFT-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345948;MM345948;C=CC(OC)OC=C(C)F;VATXDWWWUOKQQU-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345949;MM345949;CCC(N)(CN)C1CC1F;DUEJUABHBJXCGU-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345950;MM345950;COC(C=O)OC=C(C)F;ICQWTUNFWPWNCV-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345951;MM345951;NCC(N)(CN)C1CC1F;RFLGUGYDVUIGSO-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345952;MM345952;COC(C#N)OC=C(C)F;QNCSBRQPPNPERQ-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345953;MM345953;CCC(O)(CC)C1CC1F;WRILABPKSWNRKB-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345954;MM345954;C=CC(OC)OC=C(F)F;BQAOARWSXXQMEK-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345955;MM345955;CC1NC1C(C)(CN)CN;YFOJKDRZLWHGHN-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345956;MM345956;COC(C#N)OC=C(F)F;DCVXNNAXMRLQAK-UHFFFAOYSA-N;149.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345957;MM345957;CCC(C)(CN)C1OC1C;NNDNADMOJUVIJC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345958;MM345958;C=CC(CC)ON=C(C)C;ITHKYRLJPGKBSL-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345959;MM345959;CCC(C)(CN)C1CN1C;LPIVGHIBHSEDOY-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345960;MM345960;CCC(C#N)ON=C(C)C;QPQCLGCJIULMFC-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345961;MM345961;CCC(N)(CN)C1CN1C;LTRQIEYUEAEHRJ-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345962;MM345962;C=CC(CN)ON=C(C)C;JZBYNCQOLAPWRP-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345963;MM345963;CCC(C)(CN)N1CC1C;YQOXCDLCCVUPDW-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345964;MM345964;Nc1ccc(CF)[nH]1;KPHDRAXESWGAGK-UHFFFAOYSA-N;114.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345965;MM345965;C=CC(C)(CN)C1CC1C;ONBZKTGFMDHOMB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345966;MM345966;C=CC(C)(CF)C1CC1C;FDRHBUOTHUSLSZ-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345967;MM345967;CC(C)(C)CCC(N)=O;GNIXIZIBODKFLK-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345968;MM345968;C=CC(N)(CN)C1CC1C;KFPZQYIKAASZFE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345969;MM345969;C=CC(OC)ON=C(C)C;VPJKWYRJWWNCAY-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345970;MM345970;C=CC(C)(CC)C1CC1N;ADWKOOSGNSOPEO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345971;MM345971;CCN(C=O)CC=C(C)C;MYMYMIJHHRFUHJ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345972;MM345972;C=NN=CC(C)C=O;MCPVMAPONAHWIP-UHFFFAOYSA-N;112.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345973;MM345973;CCN(C=N)CC=C(C)F;CLCBIQCGMAVBFP-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345974;MM345974;C=CC(C)(CC)C1CC1F;SRDWAZGELGPBDY-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345975;MM345975;CCN(C=O)CC=C(C)F;NZXZWDZKJOEBMS-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345976;MM345976;C=CC(C)(CN)C1CC1F;YFVPAJZDTQNIJH-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345977;MM345977;CCN(C=O)CC=C(F)F;DIRFUXBTPMFXAD-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345978;MM345978;C=CC(N)(CC)C1CC1F;PXWIEHDMFPFMQV-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345979;MM345979;C=NN(CC)CC=C(C)C;UCEBBQWTPQVBEO-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345980;MM345980;C=CC(N)(CO)C1CC1F;IDYHGMIWQOGHHN-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345981;MM345981;C=NN(CC)CC=C(C)F;SQAMSAHMGGDVRM-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345982;MM345982;C=CC(O)(CC)C1CC1F;MEDCHKRHQMUJNA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345983;MM345983;C=NN(CC)CC=C(F)F;LTHWFPZAJLQCIA-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345984;MM345984;C=CC(C)(NC)C1CC1C;UOTCETDLJAQLHG-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345985;MM345985;CNN(C=N)CC=C(C)F;GKTWTVTULZHRAZ-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345986;MM345986;CNC(C)(C=O)C1CC1C;OEOHTAFBPKYRFJ-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345987;MM345987;CON(C=O)CC=C(C)F;TVDLDFDPYHGPJB-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345988;MM345988;C=CC(C)(NC)C1CC1N;GIFYPRWDOIFYCH-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345989;MM345989;CON(C=O)CC=C(F)F;GESQHLLEXZYLKV-UHFFFAOYSA-N;151.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345990;MM345990;CNC(C)(C=O)C1CC1F;ACZFCZHHGHEGCF-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345991;MM345991;C#CC(CC)CC=C(C)C;NCCHTIOTBSYYNW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345992;MM345992;COC(C)(C=O)C1CC1O;MBIJQWNXPBWVKE-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345993;MM345993;C#CC(CN)CC=C(C)C;NKGOVHAXPUBFGQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345994;MM345994;C=CC(F)(CC)C1NC1C;JWEUSESCUHUHSP-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345995;MM345995;CC(C)CCCC(N)=O;JQASYHORSFXWGI-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345996;MM345996;CCC(C)(C#N)C1OC1C;NOFBBESFXUVYOW-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345997;MM345997;C#CC(CF)CC=C(C)C;MLMOKTGVRBYWIM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345998;MM345998;C=CC(C)(NC)C1CN1C;YQJBFUIAUSWCBJ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM345999;MM345999;C#CC(CC)CC=C(C)F;YIEWTLXCGQKIQH-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346000;MM346000;CCC(C)(C=O)N1CC1C;WRQHQHPSRLSNBD-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346001;MM346001;C#CC(CN)CC=C(C)F;AHGCDLSFAPFGCP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346002;MM346002;C=CC(C)(CN)N1CC1C;KDYYNKNLZIOLKY-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346003;MM346003;C#CC(C)(CC)C1CC1C;HGDNNLSEBQRZBR-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346004;MM346004;C#CC(CF)CC=C(C)F;RLEXSSZBFRXSCY-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346005;MM346005;C#CC(N)(CN)C1CC1C;DKRZVCXBEULUSM-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346006;MM346006;C#CC(CF)CC=C(F)F;RGGUJEYPMLBENM-UHFFFAOYSA-N;148.13;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346007;MM346007;C#CC(N)(CC)C1CC1N;WQBAFYZLVKUMPB-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346008;MM346008;C#CC(CC=C(C)C)NC;CAFMQBDAWIQRKJ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346009;MM346009;C#CC1(CC)CC1O;DLHTZQCLWZCLRA-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346010;MM346010;C#CC(CC=C(C)F)NC;IHJSPMISPDJTKC-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346011;MM346011;C#CC(C)(NC)C1CC1O;JLLIIBBQKNXOEE-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346012;MM346012;C#CC(CC=C(F)F)NC;HKWYBWXGWCBSDN-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346013;MM346013;C#CC(N)(CC)C1OC1C;QBPDFQRMBUBTCK-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346014;MM346014;C#CC(CC=C(C)C)OC;RCQDNLFNUFACIK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346015;MM346015;C#CC(N)(CC)C1CN1C;CWDCOOHAFXRWDH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346016;MM346016;C#CC(CC=C(C)F)OC;YGPOHBUKWMEZGN-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346017;MM346017;C=CC(C)(C=C)C1CC1C;QPXKUTZGUNBNOS-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346018;MM346018;C#CC(CC=C(F)F)OC;ZICNQTVJWJYLHH-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346019;MM346019;CCC1CC(CO)C1;JLIIZUPFAWSETP-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346020;MM346020;C#CC(CN)NN=C(C)C;DGELPSIAQNQCEG-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346021;MM346021;C=CC(N)(C=C)C1CC1O;AVOKUQNRRNUOEE-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346022;MM346022;C#CC(CO)OC=C(C)C;ICVNPUCIYLNIIG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346023;MM346023;N#CC(O)(C=O)C1CC1O;UKPQVCOAUYVTQS-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346024;MM346024;C#CC(CC)OC=C(C)F;SZWPYIGMAHJSKX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346025;MM346025;N#CC(O)(C#N)C1CC1O;MYGPKJOTNYYMHY-UHFFFAOYSA-N;138.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346026;MM346026;C#CC(CO)OC=C(C)F;MEEXHLIZHACFTK-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346027;MM346027;C=CC(N)(C=C)C1CC1F;PIGSOFPZVGNMQE-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346028;MM346028;C#CC(CC)OC=C(F)F;CCWOXMBXCVPJQI-UHFFFAOYSA-N;146.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346029;MM346029;C=CC(O)(C=C)C1CC1F;DCQIZPSYBTYDEH-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346030;MM346030;C#CC(CN)OC=C(F)F;OCTIQVWSJMOJDO-UHFFFAOYSA-N;147.12;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346031;MM346031;C=CC(F)(C=C)C1CC1F;OEWJHBVKGUINTI-UHFFFAOYSA-N;144.16;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346032;MM346032;C#CC(OC)OC=C(C)F;KTKMJADALBMLBH-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346033;MM346033;C=CC(N)(C=C)C1NC1C;DUPCCJOYHABWHI-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346034;MM346034;CC(C)(C#CCF)CO;KPKWDMNLZOSVSH-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346035;MM346035;C=CC(N)(C=C)C1CN1C;RNXLLUIORWZESV-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346036;MM346036;C=CC(C)(C=C)N1CC1C;CYMZIRFNAQFCAH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346037;MM346037;C=CC(C=C)CC=C(C)C;XKZWRKROAXWCOX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346038;MM346038;CC1CN1C(C)(C#N)C=O;ARYZLMBXIGVTOP-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346039;MM346039;C=CC(C=O)CC=C(C)C;OZJRVSDBIJZJEN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346040;MM346040;C#CC(C)(C=C)C1CC1C;OZGFEPMYNLMFLR-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346041;MM346041;C=CC(C#N)CC=C(C)C;TZXNDYRPMMRWRI-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346042;MM346042;C#CC(C)(C#N)C1CC1O;HGSZYQIHSAHJFI-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346043;MM346043;CC(C)=CCC(C#N)C#N;JOKGVOWGDZBGJO-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346044;MM346044;C#CC(C)(C#N)C1CC1F;XBXVMYMYJIGAFJ-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346045;MM346045;C=CC(C=C)CC=C(C)F;IQLGZANYKVMPNX-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346046;MM346046;C#CC(O)(C#N)C1OC1C;BMOCOFOKLKIEKO-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346047;MM346047;C=CC(C=O)CC=C(C)F;NUDGAOYWJDUMIN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346048;MM346048;C#CC(C)(C=C)N1CC1C;SZKOHUWJTMCTMO-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346049;MM346049;C=CC(C#N)CC=C(C)F;GKJYEQRKMBIZJY-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346050;MM346050;C#CC(C)(C=O)N1CC1C;DNVORUQAZGTQGW-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346051;MM346051;CC(F)=CCC(C#N)C=O;CWBPZBPOPNBWEP-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346052;MM346052;C#CC(C)(C#C)C1CC1C;HMUCJDBAYIOMMB-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346053;MM346053;CC(F)=CCC(C#N)C#N;MLJRVBIUSRSXKH-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346054;MM346054;C#CC(C)(C#C)C1CC1N;SITANDWCPKJEHB-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346055;MM346055;N#CC(C#N)CC=C(F)F;MFNCIGLMYJJTPL-UHFFFAOYSA-N;142.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346056;MM346056;OCC1CC(CO)C1;SQYNJZFYBCGAEI-UHFFFAOYSA-N;116.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346057;MM346057;CCC(C)CCC(N)=O;CFGXZAUJIGCQSD-UHFFFAOYSA-N;129.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346058;MM346058;C#CC(O)(C#C)C1CC1O;JBJGKZBIYHBUBU-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346059;MM346059;CC(C)(C)C1CC1CO;YDZZGNVEEWKQCQ-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346060;MM346060;C#CC(C)(C#C)C1CC1F;DMHHGHTXAXMWGJ-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346061;MM346061;C=CC(C=C)OC=C(C)C;ACNUHEJVHQIUFX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346062;MM346062;CCC(C)(CC)CC1CC1;SBJORXWZUKVKGR-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346063;MM346063;C=CC(C=C)OC=C(C)F;FDKLLGVNEBTWOI-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346064;MM346064;CCC(C)(CN)CC1CC1;QWTKHTXPANHTEO-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346065;MM346065;C=CC(C#N)OC=C(C)F;JOPNGYHZQHEBBD-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346066;MM346066;OCC1CC(CF)C1;YKROFADSOXWZEV-UHFFFAOYSA-N;118.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346067;MM346067;CC(F)=COC(C=O)C=O;MRAIFIORMCXLLM-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346068;MM346068;CC(CN)(CN)CC1CC1;SDWUJZUQWADQCJ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346069;MM346069;CC(F)=COC(C#N)C=O;XYZCTAHCFFROAK-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346070;MM346070;CC(CN)(CO)CC1CC1;RRHGPFXOGQCXHH-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346071;MM346071;CC(F)=COC(C#N)C#N;QLQYMJRGXHGRCT-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346072;MM346072;CCC(N)(CC)CC1CC1;AWJZFIRDAODPNQ-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346073;MM346073;C=CC(C=C)OC=C(F)F;ZLWCUIZDDXWHBT-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346074;MM346074;CCC(N)(CN)CC1CC1;OLNBWMSUFCASCZ-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346075;MM346075;C=CC(C=O)OC=C(F)F;UDDVZSIEKZRGAU-UHFFFAOYSA-N;148.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346076;MM346076;CCC(N)(CO)CC1CC1;AYRCGCABMHZGBZ-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346077;MM346077;C=CC(C#N)OC=C(F)F;DQSQBRUSIQWKLQ-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346078;MM346078;NCC(N)(CN)CC1CC1;RPCLPFJRMUSANG-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346079;MM346079;N#CC(C=O)OC=C(F)F;RIMNNIJDNAGHJJ-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346080;MM346080;NCC(N)(CO)CC1CC1;GBDPISDVKCPYNN-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346081;MM346081;N#CC(C#N)OC=C(F)F;VOZXRCYPQZDOOI-UHFFFAOYSA-N;144.08;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346082;MM346082;NCC(N)(CF)CC1CC1;GCWJHDMPFJJLDC-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346083;MM346083;C=CC(C#N)ON=C(C)C;RQFDQQRXPLKTNO-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346084;MM346084;NC1CN(C=O)C1=O;IGRKWDGLEDVZKQ-UHFFFAOYSA-N;114.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346085;MM346085;C=CN(C=N)CC=C(C)C;AFJJULLUNCHVNY-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346086;MM346086;CCC(O)(CN)CC1CC1;HPCIUIWKFRRKCA-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346087;MM346087;C=CN(C=O)CC=C(C)C;OJUCGEWNIDCSEH-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346088;MM346088;CCC(F)(CC)CC1CC1;DHOCNCQFHRVVNJ-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346089;MM346089;C=CN(C=N)CC=C(C)F;VQPFJUZZABIIOM-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346090;MM346090;CCC(F)(CN)CC1CC1;NRCZMTNYKHQJSU-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346091;MM346091;C=CN(C=O)CC=C(C)F;PBYWVWFFQLVFMC-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346092;MM346092;NCC(F)(CN)CC1CC1;YSWWQISSUUIZFZ-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346093;MM346093;CC(F)=CCN(C=N)C=O;KFSGLUURTXJQSI-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346094;MM346094;OCC(F)(CO)CC1CC1;HHTPEBSQADCGKZ-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346095;MM346095;C=CN(C=N)CC=C(F)F;DWPCDKPMPUYVOL-UHFFFAOYSA-N;146.14;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346096;MM346096;CCC(C)(CC1CC1)NC;RXDGWMNWPMVSBO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346097;MM346097;N=CN(C=N)CC=C(F)F;RNRXLNCIPKFRKZ-UHFFFAOYSA-N;147.13;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346098;MM346098;CNC(C)(CO)CC1CC1;BKCGAMGTGIIKJE-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346099;MM346099;N=CN(C=O)CC=C(F)F;DBWUAZULPCVOAJ-UHFFFAOYSA-N;148.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346100;MM346100;CNC(C)(CF)CC1CC1;BJNHMTQOWWSYIS-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346101;MM346101;O=CN(C=O)CC=C(F)F;NKVFKTYIIMBLKN-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346102;MM346102;CCC(C)(CC1CC1)OC;CXMNYABPVJKYKI-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346103;MM346103;C=NN(C=O)CC=C(C)C;UUAZKSQOPSQRQG-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346104;MM346104;COC(C)(CN)CC1CC1;NNYQZDNJPMWPCQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346105;MM346105;CCC(C)(CC)NC1CC1;CZBPTZAREXNDMG-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346106;MM346106;C=NN(C=O)CC=C(C)F;VWNOHWLNNICIND-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346107;MM346107;CCC(C)(CN)NC1CC1;PPBLJSKTJOMKCE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346108;MM346108;C=NN(C=O)CC=C(F)F;LDKWOKOPHHOOOI-UHFFFAOYSA-N;148.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346109;MM346109;CCC(C)(CO)NC1CC1;VVVSUZBQYNKWKU-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346110;MM346110;C#CC(C=C)CC=C(C)C;WFQLYZKFAKHSPZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346111;MM346111;CC(CN)(CN)NC1CC1;ALFYRIFSFMKHTD-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346112;MM346112;C#CC(C=O)CC=C(C)C;OGWDXXRBNPXVBW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346113;MM346113;CC(CN)(CO)NC1CC1;DEEPFANUSJWKPO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346114;MM346114;C#CC(C#N)CC=C(C)C;MVZNSQUOUTWHFA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346115;MM346115;CCC(C)(CC)OC1CC1;VLDVZWPWGOLRJB-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346116;MM346116;C#CC(C=C)CC=C(C)F;LBGCYUYDSVICAR-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346117;MM346117;CCC(C)(CN)OC1CC1;XOQJJXAKXHKOTL-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346118;MM346118;C#CC(C=O)CC=C(C)F;MSHFHPMPBNOWRU-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346119;MM346119;CCC(C)(CO)OC1CC1;YFBWVENPVZRARJ-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346120;MM346120;C#CC(C#N)CC=C(C)F;UBDVYQSTQCRNCF-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346121;MM346121;CC(CN)(CN)OC1CC1;YNNPDJRYTLLSIO-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346122;MM346122;CC#CCC(C)CCO;VRNZDXAPSZSMEH-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346123;MM346123;CCC(C)(OC)OC1CC1;UQOABGIGQLVBRV-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346124;MM346124;C#CC(C=O)OC=C(C)C;NSZZCHBCCBHXIH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346125;MM346125;CCC(C)(CN)CC1CN1;UJTLQQFECDDHCH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346126;MM346126;C#CC(C#N)OC=C(C)C;FRXNEWMGVWXHFJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346127;MM346127;CC(CN)(CN)CC1CN1;JNFVBISVTLPVDK-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346128;MM346128;C#CC(C=C)OC=C(C)F;GKHCCAJQPUFKNN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346129;MM346129;CC(CN)(CO)CC1CN1;GFDFSBJGFBGZLW-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346130;MM346130;C#CC(C=O)OC=C(C)F;LSIWHYXVXLQVHF-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346131;MM346131;CCC(N)(CC)CC1CN1;OQQOGTNOTRTLDW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346132;MM346132;C#CC(C#N)OC=C(C)F;RGFJDWVQEVTFDQ-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346133;MM346133;CCC(N)(CN)CC1CN1;OOZSYORTHUMGIJ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346134;MM346134;C#CC(C=C)OC=C(F)F;GTAZKUWUMQCWCG-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346135;MM346135;CCC(N)(CO)CC1CN1;UOFBQLOIAAAYOT-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346136;MM346136;C#CC(C=O)OC=C(F)F;XGDHPPPXYVFTCL-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346137;MM346137;CCC(O)(CN)CC1CN1;WOBVBXDLSAFNCK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346138;MM346138;C#CC(C#N)OC=C(F)F;QNPKOJNZNBKXLO-UHFFFAOYSA-N;143.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346139;MM346139;NCC(O)(CN)CC1CN1;JIYCWXMMZMXQPD-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346140;MM346140;C#CC(C=C)ON=C(C)C;VZDZDJAPRQRPLG-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346141;MM346141;NCC(F)(CN)CC1CN1;LGLFGJXORHQWIO-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346142;MM346142;C#CC(C#C)CC=C(C)C;UVUFPCPMVCLNQP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346143;MM346143;CCC(C)(CC1CN1)NC;PNHOEUSUEDANFN-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346144;MM346144;C#CC(C#C)CC=C(C)F;GUQPNVYYNVSCCI-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346145;MM346145;CNC(C)(CN)CC1CN1;NDIXUFWSOCQXDP-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346146;MM346146;C#CC(C#C)CC=C(F)F;MOGIJYSJEJOROK-UHFFFAOYSA-N;140.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346147;MM346147;CNC(C)(CO)CC1CN1;MGDXWWBAFNPGHL-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346148;MM346148;C#CC(C#C)OC=C(C)C;BZLJGSSEHSSLEK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346149;MM346149;CCC(C)(CC)CC1CO1;AVVQDQJVUJMTRT-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346150;MM346150;C#CC(C#C)OC=C(C)F;NEJJVNDGLOAAML-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346151;MM346151;CCC(C)(CN)CC1CO1;YKQQQLURJOFMLQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346152;MM346152;C#CC(C#C)OC=C(F)F;BYBRQZYBUVAZNB-UHFFFAOYSA-N;142.1;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346153;MM346153;C#CC(C#C)ON=C(C)C;QVZOOWLGDJEOSF-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346154;MM346154;CC(CN)(CN)CC1CO1;NHSJGYDQCVIJKE-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346155;MM346155;CC=C(CC)CC=C(C)C;ZMZVXJSMFPNUGH-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346156;MM346156;CC(CN)(CO)CC1CO1;YODYHNCEKGNWTH-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346157;MM346157;CCC(=CF)CC=C(C)C;GXBCGQDNRNGLRI-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346158;MM346158;CCC(N)(CC)CC1CO1;VTGGCDYAYBDKAY-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346159;MM346159;CC=C(CN)CC=C(C)C;AYPJGSKTWKYEIK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346160;MM346160;CCC(N)(CN)CC1CO1;XCGYLMCPBBYASL-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346161;MM346161;CC(C)=CCC(=CF)CN;UVGVNGOTFPFGFQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346162;MM346162;CCC(N)(CO)CC1CO1;IZXZVRNFBVRMGZ-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346163;MM346163;CC#CC1C=CC(O)C1;WZKKUOROZSKJTH-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346164;MM346164;CCC(O)(CC)CC1CO1;PDDPYJJMBKWNPO-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346165;MM346165;CC=C(CF)CC=C(C)C;PGSUZJIOBMTENN-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346166;MM346166;NCC(O)(CN)CC1CO1;BHKGMMAAKGLRJE-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346167;MM346167;CC=C(CC)CC=C(C)F;BKTHGQBKKPKXKX-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346168;MM346168;CCC(F)(CC)CC1CO1;JJFYSYUEMQMWCC-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346169;MM346169;CCC(=CF)CC=C(C)F;AKMDPDLSLXIODU-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346170;MM346170;CCC(F)(CO)CC1CO1;SGPUMFQGTHKGSR-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346171;MM346171;CC(F)=CCC(=CF)CN;DDHZDENOGVZBBO-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346172;MM346172;CCC(C)(CC1CO1)NC;XBXDSCBOMYQMFE-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346173;MM346173;CC=Cc1ccc(N)[nH]1;COBVMUAOIIRNBL-UHFFFAOYSA-N;122.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346174;MM346174;CCC(C)(CC1CO1)OC;AOWRNYIQWJOCLC-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346175;MM346175;CC=C(CC)CC=C(F)F;ZSWJVSCYIAWAPY-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346176;MM346176;CCC(C)(CN)CN1CC1;OVQIXWJIJYUNMU-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346177;MM346177;CC=C(CN)CC=C(F)F;DQRXYLLCRWCYCF-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346178;MM346178;CC(CN)(CN)CN1CC1;BEBZBIJOHMARGG-UHFFFAOYSA-N;143.23;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346179;MM346179;NCC(=CF)CC=C(F)F;HCAUELBHQPRLGW-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346180;MM346180;CC(CN)(CO)CN1CC1;UFZFARRKOMXTDR-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346181;MM346181;C=NN=C1C=C(F)CC1;ICFHPFFSHRQXJC-UHFFFAOYSA-N;126.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346182;MM346182;CCC(N)(CC)CN1CC1;NYVRIHGMBKKCFL-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346183;MM346183;CCC(CC=C(C)C)=NN;UGHRXNHANLUXIM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346184;MM346184;CCC(N)(CN)CN1CC1;NTSFZORTKYHBAD-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346185;MM346185;CCC(CC=C(C)C)=NO;KVNJKABFRHDXHH-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346186;MM346186;NCC(N)(CN)CN1CC1;QMCMQQDNIIMMHQ-UHFFFAOYSA-N;144.22;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346187;MM346187;CC(C)=CCC(CF)=NN;VRTYKLOVBWLTQB-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346188;MM346188;NCC(N)(CO)CN1CC1;XNULUVAHLBEEIL-UHFFFAOYSA-N;145.21;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346189;MM346189;CCC(CC=C(C)F)=NN;WKOGSMBMMYLDQN-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346190;MM346190;CCC(O)(CN)CN1CC1;XLDBNGKSLHHHRN-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346191;MM346191;CCC(CC=C(C)F)=NO;NHVSZYLPSPQDRS-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346192;MM346192;C#CC(C)C1CC1O;NEYIGHRBEYLLKT-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346193;MM346193;O=CC1CNC(CF)=N1;NMWUWZBQHPJDHT-UHFFFAOYSA-N;130.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346194;MM346194;NCC(O)(CO)CN1CC1;ZNYNBRRVTHULLA-UHFFFAOYSA-N;146.19;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346195;MM346195;N#CC1CN1CCC=O;FQYMVLZAWYUOOO-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346196;MM346196;CCC(F)(CC)CN1CC1;WBWRBNFQKPTUAL-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346197;MM346197;C#CC1CN1CCC=O;FMWHWLXHLCODTF-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346198;MM346198;NCC(F)(CN)CN1CC1;FRZINAIULQVBTR-UHFFFAOYSA-N;147.2;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346199;MM346199;CN=C(CC=C(C)C)NC;UPGJSSODRDPSMH-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346200;MM346200;CCC(C)(CN1CC1)NC;AMDRAIBGENRLGI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346201;MM346201;CN=C(CC=C(C)C)NN;OOBHDRBMRDZDCD-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346202;MM346202;CNC(C)(CO)CN1CC1;SDCKMNGKSXNKGW-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346203;MM346203;CN=C(CC=C(C)F)NN;BSGQEPPZVVHWQG-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346204;MM346204;C=CC(C)(CC)CC1CC1;LEOUUHNUABLVNM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346205;MM346205;CC=C(CC=C(C)C)OC;JGKGVUZUTMXQAD-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346206;MM346206;CCC(C)(C=O)CC1CC1;RSYZCCOSENQIBO-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346207;MM346207;CC=C(CC=C(C)F)OC;VPZGOUBEXGWDJB-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346208;MM346208;CCC(C)(C#N)CC1CC1;HXLUJRXMRYXOQU-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346209;MM346209;COC(=CF)CC=C(C)F;NROFQWBULGJWAF-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346210;MM346210;C=CC(C)(CN)CC1CC1;UAWXVKMSPUCTTN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346211;MM346211;CC1C(CO)C1CC#N;FYMHIKMMSVZRBO-UHFFFAOYSA-N;125.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346212;MM346212;CC(C#N)(CO)CC1CC1;UMERGPQDXPGFOC-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346213;MM346213;COC(CC=C(C)C)=NO;UEQXTBFGOJYMTP-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346214;MM346214;C=CC(C)(CF)CC1CC1;IMALCQHKKPRORM-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346215;MM346215;C#CCC1C(O)C1C#C;KVDROOFYVCXLDR-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346216;MM346216;C=CC(N)(CC)CC1CC1;TUTDMYNPZWSWTN-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346217;MM346217;CCC(=NN)NC=C(C)C;MSTXJYFFIYHDIB-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346218;MM346218;C=CC(N)(CN)CC1CC1;DGJINISZFCWGPZ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346219;MM346219;C=CC(C)(O)CC#CC=O;IPZOQEPLSPHLJL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346220;MM346220;C=CC(N)(CO)CC1CC1;JGNDBBBNIKLOBV-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346221;MM346221;CN=C(CN)NC=C(C)C;KUEUUAVDMXAEQO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346222;MM346222;C=C(CC)C1CC1O;YBCWIKARBVGMIW-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346223;MM346223;CC(C)=CN=C(CO)NN;ACMUVACGJMQMEI-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346224;MM346224;CCC(O)(C#N)CC1CC1;JLFLRRGLNZLTJM-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346225;MM346225;CC(C)=CN=C(CF)NN;QYMBDTSQZLSUPR-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346226;MM346226;C=CC(O)(CN)CC1CC1;GZKPIAXKHQGRCE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346227;MM346227;C#CC(C)C(C)=CC(C)O;CSEIACJWDGVWRZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346228;MM346228;N#CC(O)(CO)CC1CC1;NKGJFARVDIICRG-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346229;MM346229;CCC(=NC=C(C)F)NC;GOVXKAFFBDDWDM-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346230;MM346230;C=CC(C)(CC1CC1)NC;OPVQNRWAZDMWJU-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346231;MM346231;CN=C(CF)NC=C(C)F;RKJIYTSCHGGSGL-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346232;MM346232;CNC(C)(C#N)CC1CC1;QSNCUEQTJORACZ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346233;MM346233;CC1N(CCC=O)C1(C)C;OTBXOVGHEBEJEH-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346234;MM346234;C=CC(C)(CC1CC1)OC;RBKRGIYNVHAWAX-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346235;MM346235;CCC#CCC(C)CCO;PZIMVMALONFVOZ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346236;MM346236;COC(C)(C#N)CC1CC1;BGEPEALXBOWVKD-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346237;MM346237;C=NNCC(C)(C#N)C#N;VSGJZZZZGVVZHJ-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346238;MM346238;C=CC(C)(CC)NC1CC1;IIVHXXVZPQBAHG-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346239;MM346239;CCC(=NO)NC=C(F)F;JLZNFAHSMDZPNV-UHFFFAOYSA-N;150.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346240;MM346240;CCC(C)(C#N)NC1CC1;JHEWEQFZQLWVFA-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346241;MM346241;CN=C(NC)NC=C(C)F;PXDRVLLEPWHZSG-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346242;MM346242;CC=C(C)C1CC1O;NCZCKZUMJVJTFN-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346243;MM346243;CC(F)=CNC(=NN)NN;IYXJXLWNYUANEE-UHFFFAOYSA-N;147.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346244;MM346244;CC(C#N)(CF)NC1CC1;CRUOIJCINMGYFR-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346245;MM346245;C#CC(CF)(NC)C(C)=O;SIAMGDRBMQGINE-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346246;MM346246;C=CC(C)(CC)OC1CC1;LGLAZOVETPLXTI-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346247;MM346247;CN=C(NO)NC=C(C)F;HEMOXQVRRPFOOU-UHFFFAOYSA-N;147.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346248;MM346248;CCC(C)(C#N)OC1CC1;JKYSKAONUXOWQX-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346249;MM346249;C#CC1(C)NC1C(=O)C#N;PXOJIMKIZVUHGD-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346250;MM346250;C=CC(C)(CN)OC1CC1;NFIZJCXUUQEPMA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346251;MM346251;CN=C(NC)NC=C(F)F;SUXSOWYNOFZTEZ-UHFFFAOYSA-N;149.14;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346252;MM346252;C=CC(C)(CO)OC1CC1;IWKRNXAOKRRHJP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346253;MM346253;C=CC1(O)C=CC(CC)=C1;DQPORERCEZVJRY-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346254;MM346254;C=CC(N)(CC)CC1CN1;OYCCTSUHSGZWIB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346255;MM346255;ON=C(NO)NC=C(F)F;JBZLRVAOVUWWAS-UHFFFAOYSA-N;153.09;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346256;MM346256;C=CC(N)(CN)CC1CN1;DFSXIAFVIFTIRD-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346257;MM346257;C=CC(C=C)=CC(O)C=C;IDWYGGMGUXLCGL-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346258;MM346258;C=CC(N)(CO)CC1CN1;DNUGBUGPMPHXRP-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346259;MM346259;COC(=NO)NC=C(C)C;QMEGEXDZYQNPKR-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346260;MM346260;CNN=CCCC=O;GRRXVWQTMRUSRA-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346261;MM346261;C=CC(C)(CC1CN1)NC;DZKOAAFCBWFFHE-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346262;MM346262;CN=C(NC=C(C)F)OC;QNMGHMNGDDTADJ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346263;MM346263;CNC(C)(C=O)CC1CN1;CTZZIGAYTUWDHV-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346264;MM346264;C#CC(CO)CC=C(C)C;IXEDZUXBIQGRIG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346265;MM346265;C=CC(C)(CC)CC1CO1;YXCGDDLYMWTWLU-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346266;MM346266;COC(=NO)NC=C(C)F;ZICKMMMLGWRTFL-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346267;MM346267;CCC(C)(C=O)CC1CO1;ZVHAKMBSBPXUIH-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346268;MM346268;CCC1(CC(=O)C#N)CN1;CRWWMJVHIYNYMJ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346269;MM346269;CCC(C)(C#N)CC1CO1;JXXJORKKSPSEPV-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346270;MM346270;CC(C)(C#CC1CO1)CO;IVDASRIREYGWSJ-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346271;MM346271;C=CC(C)(CN)CC1CO1;IPINZHQCSBCHKL-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346272;MM346272;COC(=NO)NC=C(F)F;HNUWNWLCFVURAB-UHFFFAOYSA-N;152.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346273;MM346273;C=CC(C)(CO)CC1CO1;WEKLQAZQVCSYIS-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346274;MM346274;C=NN1CC1(C)CCC=O;UPSAULYEAHJWLY-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346275;MM346275;CC(C#N)(CO)CC1CO1;TXPPPDPKWCSOJT-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346276;MM346276;CC(C#CC#N)C(C)CO;DHBGULMOUOCQQA-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346277;MM346277;C=CC(N)(CC)CC1CO1;XXKHPAKLXAEYSK-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346278;MM346278;CCC(=NO)NN=C(C)C;VAIXTWYQIAJDPI-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346279;MM346279;C=CC(N)(CN)CC1CO1;UUNUTXLSEAFUTI-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346280;MM346280;C=CC1(C)CN1CCC=O;ZVCKLYNMPCFHJL-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346281;MM346281;C=CC(O)(CC)CC1CO1;UWFRULOFWJHUSP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346282;MM346282;CC1(C#N)CN1CCC=O;VMIKMNPWTOOGMW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346283;MM346283;CCC(O)(C=O)CC1CO1;IFLFXCRXXAOSBA-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346284;MM346284;C#CC1(C)CN1CCC=O;OUOXANXZPSQENP-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346285;MM346285;C=CC(O)(CN)CC1CO1;LZMBMNUIGIBIJZ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346286;MM346286;CC=C(CC)OC=C(C)C;YRGYIOQQGVXZER-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346287;MM346287;N#CC(O)(CO)CC1CO1;KQKJIJQSFUVPRS-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346288;MM346288;CCC(=CF)OC=C(C)C;QCTFECBURNZCEZ-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346289;MM346289;C=CC(F)(CC)CC1CO1;VYVBCNYLIONXRJ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346290;MM346290;CC=C(CN)OC=C(C)C;LXBVIZNHNWQTEX-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346291;MM346291;CCC(F)(C#N)CC1CO1;DQYHLCDAEVYCSO-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346292;MM346292;CC(C)=COC(=CF)CN;LMKGLPUEZAEQTP-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346293;MM346293;C=CC(F)(CO)CC1CO1;YKDJGOJTCCZYQY-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346294;MM346294;C=CC(C)(CC1CO1)NC;YAWIPJSOALWHPL-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346295;MM346295;CC=C(CC)OC=C(C)F;RIHVYLJXVVLQBP-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346296;MM346296;CNC(C)(C=O)CC1CO1;FMRKKIOASXENJD-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346297;MM346297;CCC(=CF)OC=C(C)F;AYAWXIINKRTWHV-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346298;MM346298;CNC(C)(C#N)CC1CO1;IAAHGGXJPDDGNT-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346299;MM346299;CC=C(CN)OC=C(C)F;NZFZKGZQYPYAJC-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346300;MM346300;COC(C)(C#N)CC1CO1;GTGMFZBHVDFAEO-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346301;MM346301;CC=C(CO)OC=C(C)F;NHGMSDKFAHYEGQ-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346302;MM346302;CCC(C)(C=O)CN1CC1;RZTXVQGBSNVTIR-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346303;MM346303;CC(F)=COC(=CF)CO;PMSSMEXTGUQZAP-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346304;MM346304;CCC(C)(C#N)CN1CC1;JMDIBFDIDCNELO-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346305;MM346305;CC=C(CC)OC=C(F)F;SFCRXZHGTACWET-UHFFFAOYSA-N;148.15;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346306;MM346306;C=CC(C)(CN)CN1CC1;XXIWTMZACKEGIU-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346307;MM346307;CCC(=CF)OC=C(F)F;PVCKVYRGKUVBKK-UHFFFAOYSA-N;152.12;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346308;MM346308;C=CCC1CC1CO;ZAWGCBNLEABLBO-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346309;MM346309;CC=C(CN)OC=C(F)F;OEHVRZKPVFDUDV-UHFFFAOYSA-N;149.14;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346310;MM346310;C=CC(N)(CC)CN1CC1;CCFIUIKRGJFVKC-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346311;MM346311;CC=C(CO)OC=C(F)F;BNVIHDVTJFORJU-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346312;MM346312;O=CCC1CC1CO;CIUMDBJFRKFCKA-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346313;MM346313;OCC(=CF)OC=C(F)F;WYFKSKKXXBMHIT-UHFFFAOYSA-N;154.09;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346314;MM346314;C=CC(F)(CN)CN1CC1;DGHWFGVEVZIORW-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346315;MM346315;Cn1nnc(=O)c(NN)n1;OLCFDVOPNFHZIW-UHFFFAOYSA-N;142.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346316;MM346316;C=CC(C)(CN1CC1)NC;WXOMHFTWVFZXGG-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346317;MM346317;C#CC(CO)CC=CCC;VYUSNWYCZYRDRK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346318;MM346318;CNC(C)(C#N)CN1CC1;WIYYQTYHNURXDF-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346319;MM346319;C#CC(CO)CC=CCF;YZXASCZZJIFSOK-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346320;MM346320;COC(C)(C=O)CN1CC1;FWSNORHCHOFMAW-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346321;MM346321;COC(OC)C(CO)=NO;QFUPCWPTCUYPCD-UHFFFAOYSA-N;149.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346322;MM346322;C#CC(C)(CC)CC1CC1;DQILFIOLEVCJPE-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346323;MM346323;NN=C(CO)OC=C(F)F;KMIHSLHBXUZGHA-UHFFFAOYSA-N;152.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346324;MM346324;C#CC(C)(CN)CC1CC1;GEGKMWJDHJPOOY-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346325;MM346325;C#CC1(C=O)NC1C(=O)O;NBDHLYUTQXHYSN-UHFFFAOYSA-N;139.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346326;MM346326;C#CC1CC=CC1O;CUKSLSWKVIXBJH-UHFFFAOYSA-N;108.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346327;MM346327;C#CC=CCC(C#C)CO;KJPIWVQJUNDTKA-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346328;MM346328;C#CC(N)(CC)CC1CC1;DUMFFUYDJAGKDB-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346329;MM346329;CCN(O)C(=N)C(=O)O;ASQONUFWCNLKLY-UHFFFAOYSA-N;132.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346330;MM346330;C#CC(N)(CN)CC1CC1;WPGLIDWIGFTWRQ-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346331;MM346331;C=CC(=CC)CC=C(C)C;VTYMYOUYMAIBSR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346332;MM346332;C#CC(N)(CO)CC1CC1;ZCZVFQREBXZOML-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346333;MM346333;C=CC(=CF)CC=C(C)C;BJADDFFIGPJFMQ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346334;MM346334;C#CC(O)(CC)CC1CC1;FVJHAPCXMLSXAT-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346335;MM346335;CC=C(C=O)CC=C(C)C;FRSLFNWYXVDKCE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346336;MM346336;C#CC(O)(CN)CC1CC1;LZDNBFMFNLDJAM-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346337;MM346337;CC=C(C#N)CC=C(C)C;VLWFOJHYSFBPQT-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346338;MM346338;C#CC(F)(CC)CC1CC1;SOVIENZCLWRJAQ-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346339;MM346339;CC(C)=CCC(C=O)=CN;ATUIUYSEPYZYJU-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346340;MM346340;C#CC(F)(CN)CC1CC1;SWHHBOWETAPULE-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346341;MM346341;CC(C)=CCC(C#N)=CN;LXGJRNQHVZYNHH-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346342;MM346342;C#CC(C)(CC1CC1)NC;KDBFJLPEZOOZJD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346343;MM346343;C#CC(C)(CC1CC1)OC;CNWSZZLIQCBDQV-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346344;MM346344;CC(C)=CCC(C=O)=CF;XNFHSSDCWNFFPX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346345;MM346345;C#CC(C)(CC)NC1CC1;NFPDCPCKWQATSY-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346346;MM346346;CC(C)=CCC(C#N)=CF;QYZFWRKCGBWCQL-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346347;MM346347;C#CC(C)(CN)NC1CC1;MZVUYLFEFZZGLT-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346348;MM346348;C=CC(=CC)CC=C(C)F;MZDLUMKDJLKUML-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346349;MM346349;C#CC(C)(CC)OC1CC1;QNAWFDDNIJCPJB-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346350;MM346350;CC=C(C=O)CC=C(C)F;JPKQZBOLPKHPEL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346351;MM346351;C#CC(C)(CN)OC1CC1;TTWXILJDGJUYPP-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346352;MM346352;CC=C(C#N)CC=C(C)F;QBLDRFBQVAAOHB-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346353;MM346353;C#CC(C)(OC)OC1CC1;VUBSGSHQSMMEMY-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346354;MM346354;CC(F)=CCC(C=O)=CN;DJQNCGQFQVGDGE-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346355;MM346355;C#CC(C)(CN)CC1CN1;YKFVAAUNOOVJLE-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346356;MM346356;CC(F)=CCC(C#N)=CN;MZZPXTVGMXAIGV-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346357;MM346357;C#CC(N)(CC)CC1CN1;CXYBYMOKAGYSIV-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346358;MM346358;CC(F)=CCC(C=O)=CF;JFZGPJNLBLKXRL-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346359;MM346359;C#CC(N)(CN)CC1CN1;QGDRYRBXCOOBPC-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346360;MM346360;CC(F)=CCC(C#N)=CF;MNSKWLTZCFLNTC-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346361;MM346361;C#CC(N)(CO)CC1CN1;LMEFYXSDPFYUJJ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346362;MM346362;C=CC(=CC)CC=C(F)F;SZPZLISHDOPULT-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346363;MM346363;C#CC(O)(CN)CC1CN1;IONPMSFJNMJXCE-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346364;MM346364;CC=C(C=O)CC=C(F)F;WBPGGVTZVHUIAX-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346365;MM346365;C#CC(C)(CC1CN1)NC;BSPDLVVDZAHTBE-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346366;MM346366;CC=C(C#N)CC=C(F)F;NXBQDOZABWBZLF-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346367;MM346367;C#CC(C)(CC)CC1CO1;LXAXHZBLDJOILI-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346368;MM346368;C=NN(C=O)C(C)CC=O;YGMZNEYZHNDPSZ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346369;MM346369;C#CC(C)(CN)CC1CO1;XMGLTDXHKTUYRR-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346370;MM346370;N#CC(=CF)CC=C(F)F;LEQSNDFZNSUNAB-UHFFFAOYSA-N;147.1;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346371;MM346371;C#CC(C)(CO)CC1CO1;PHCZRDSNRJRMMP-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346372;MM346372;C=CC(CC=C(C)C)=NN;PTAQOKFCNWMULX-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346373;MM346373;C#CC(N)(CC)CC1CO1;CEEMUSHRVKVFED-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346374;MM346374;CC1(C2CC2CO)CC1O;KWLKIOWGSKRLDM-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346375;MM346375;C#CC(N)(CN)CC1CO1;AEONKFFKAWXNPL-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346376;MM346376;CON(C)C(=N)C(=O)O;MTAMKTMKXXWHMU-UHFFFAOYSA-N;132.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346377;MM346377;C#CC(N)(CO)CC1CO1;ZWTBWZPEKOTYGN-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346378;MM346378;C#CC(O)(CN)CC1CO1;ATKWTTNSNCRCEO-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346379;MM346379;C=CC(CC=C(C)F)=NN;PIUGLBHYXHLPDF-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346380;MM346380;C#CC(F)(CC)CC1CO1;PIQHUPAAMRPLCG-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346381;MM346381;C=CC(CC=C(C)F)=NO;BSNCBYANHNJFFI-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346382;MM346382;C#CC(C)(CC1CO1)NC;NTTUAYRMJYKHMN-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346383;MM346383;CN=C1N=CC(=CO)O1;MBLUJLGTSBCQCM-UHFFFAOYSA-N;126.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346384;MM346384;C#CC(C)(CC1CO1)OC;FNFNVVNOSPFQNT-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346385;MM346385;C=CC(CC=C(F)F)=NO;KBGVSEROLKEBLS-UHFFFAOYSA-N;147.12;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346386;MM346386;C#CC(C)(CN)CN1CC1;OHDUWGQYKNPMIK-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346387;MM346387;C=CC(=NC)NC=C(C)C;HSCGUTNZFDRTIP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346388;MM346388;O=CC1CC1N1CC1;QYXIXKKXKUZREK-UHFFFAOYSA-N;111.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346389;MM346389;C=CC(=NC=C(C)C)NN;FGMBZYBCGSNPHK-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346390;MM346390;C#CC(N)(CC)CN1CC1;BKPVKJDBYCEPOP-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346391;MM346391;C=CC(=NC=C(C)C)NO;ZUEATEFTXQWUNT-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346392;MM346392;C#CC(N)(CN)CN1CC1;WEGOPBSFSIMMBJ-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346393;MM346393;CN=C(C#N)NC=C(C)C;RHGLAALTXUUOAH-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346394;MM346394;CCC#CC(C)(C)CO;RCARFCPFNNSMMC-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346395;MM346395;C=CC(=NC)NC=C(C)F;WOKRFFGUIICWTG-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346396;MM346396;CC(O)CCC(C)C#N;LTSZAVBZTJDYFN-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346397;MM346397;C#CC1NC1C(C=O)CC;ONYDIIGVLKHGRR-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346398;MM346398;C#CC(F)(CC)CN1CC1;XNADKEQVFORVLL-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346399;MM346399;C=CC1C(C(C)C=O)N1C;PFZUAWXSBMYYRZ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346400;MM346400;C#CC(C)(CN1CC1)NC;LFVDBASCVZJGAM-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346401;MM346401;CCC1C(C)N1CCC=O;URZLYLSCORVOFQ-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346402;MM346402;C#CC(C)(CN1CC1)OC;DYAVQJJDJHKYDH-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346403;MM346403;CCC1(C2CC2CO)CC1;QQAVHYYZPOJERW-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346404;MM346404;C=CC(C)(C=C)CC1CC1;ZOBAZWKZGIYHBE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346405;MM346405;NN=C(N)C(=O)O;OBLSAXFODYFBED-UHFFFAOYSA-N;103.08;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346406;MM346406;C=CC(C)(C#N)CC1CC1;WRDLYUQJWGVMNB-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346407;MM346407;OCC1CC1C1(CO)CC1;ZKAPDFNQZMYKCL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346408;MM346408;CC(C#N)(C#N)CC1CC1;CAVJFXCSPKVPHL-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346409;MM346409;C=CC(=CC)OC=C(C)C;YQUWVTXTWZPNLE-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346410;MM346410;C=CC(N)(C=C)CC1CC1;HGLYFHOAXFERTN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346411;MM346411;C=CC(=CF)OC=C(C)C;CLYXVKVIGCHRTH-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346412;MM346412;C=CC1(O)C=CC(C)=C1;GOMMSBRUPWFXAN-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346413;MM346413;CC=C(C=O)OC=C(C)C;LQSUBVATIYZRIB-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346414;MM346414;C=CC(O)(C=O)CC1CC1;MKPBVXHMDXJRBY-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346415;MM346415;CC=C(C#N)OC=C(C)C;VZWSXPKUNHTQBJ-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346416;MM346416;C=CC(O)(C#N)CC1CC1;IAYZJSZQBZDVDR-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346417;MM346417;CC(C)=COC(C#N)=CN;SEGBOAIXOLCKKQ-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346418;MM346418;O=CC(O)(C=O)CC1CC1;BRESVSFYVCVWRN-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346419;MM346419;CC(C)=COC(C#N)=CF;IPSVSORZAMFZKK-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346420;MM346420;N#CC(O)(C=O)CC1CC1;QQNHGZUDTSTFHL-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346421;MM346421;C=CC(=CC)OC=C(C)F;WUXYNKVNBVJJME-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346422;MM346422;N#CC(O)(C#N)CC1CC1;LLLPTPSDDKRPMD-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346423;MM346423;C=CC(=CF)OC=C(C)F;ROLRMZRKYLKDFT-UHFFFAOYSA-N;146.14;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346424;MM346424;C=CC(F)(C=C)CC1CC1;JJCSKGUOKXFTCR-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346425;MM346425;CC=C(C#N)OC=C(C)F;AHLKAQJZVXYTGE-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346426;MM346426;C=CC(F)(C=O)CC1CC1;QCOPUNIZYCBGKE-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346427;MM346427;CC(F)=COC(C=O)=CN;QIOCEUMNELNKBF-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346428;MM346428;N#CC(F)(C#N)CC1CC1;XOLUQSWCXNWUQY-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346429;MM346429;CC(F)=COC(C#N)=CF;DPNTXFCWQHJMBK-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346430;MM346430;C=CC(C)(C=C)NC1CC1;ZWTLQLFXDGUUFD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346431;MM346431;C=CC(=CC)OC=C(F)F;SYEZAVDWUXECRG-UHFFFAOYSA-N;146.14;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346432;MM346432;C=CC(C)(C#N)NC1CC1;DLOOOCMCPRCRNI-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346433;MM346433;C=CC(=CF)OC=C(F)F;ABDXIXJNOCYPLZ-UHFFFAOYSA-N;150.1;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346434;MM346434;CC(C#N)(C#N)NC1CC1;KDUCZQYCDWVWPJ-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346435;MM346435;CC=C(C#N)OC=C(F)F;DANMPOZLWUXDKJ-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346436;MM346436;C=CC(C)(C=C)OC1CC1;WWDTWEDFYJSCQC-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346437;MM346437;N#CC(=CN)OC=C(F)F;NFQHIAHLYXTIDR-UHFFFAOYSA-N;146.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346438;MM346438;OCC1CC1C1(CF)CC1;TZBLQFXAYIXPIS-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346439;MM346439;C=CC(C)(C#N)OC1CC1;XMJQCVZKFATYDG-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346440;MM346440;C=CC(=NO)OC=C(C)F;NQGXSEOWNAEWFT-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346441;MM346441;CC(C#N)(C=O)OC1CC1;JDWWQPGHBBRUSK-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346442;MM346442;NN=c1[nH]oc(=O)c(=O)o1;LRODRSFOXZWULU-UHFFFAOYSA-N;145.07;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346443;MM346443;CC(C#N)(C#N)OC1CC1;QHNWDHZRQDXNNU-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346444;MM346444;C=CC1C=CC(=O)N1N;KPOBWXJEXYDTDG-UHFFFAOYSA-N;124.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346445;MM346445;CC(C#N)(C#N)CC1CN1;IAANWMUXYCECGM-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346446;MM346446;N=c1c(O)nn(C=O)n1O;LPKFIFZTTZOYSZ-UHFFFAOYSA-N;144.09;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346447;MM346447;C=CC(N)(C=C)CC1CN1;PZAMIGBPRMIXKQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346448;MM346448;O=CCCN1CC1;VMXQFFOJFFWWNS-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346449;MM346449;C=NN=CC(C)CC=O;HCXGMUDYDYFDNH-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346450;MM346450;C=CC(=NO)ON=C(C)C;SGQFBSULSMSIGL-UHFFFAOYSA-N;142.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346451;MM346451;C=CC(CCO)C(=C)C;UIBCQKQLZULGRT-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346452;MM346452;O=c1[nH]c(F)c(F)c(=O)o1;ZDSCXKLHOOGLBN-UHFFFAOYSA-N;149.05;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346453;MM346453;N#CC(F)(C=O)CC1CN1;YQBAIJXFFUMAEE-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346454;MM346454;C#CC(=CC)CC=C(C)C;UXFKCNUGCOVFMU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346455;MM346455;N#CC(F)(C#N)CC1CN1;DNKRHGPIVJLDEB-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346456;MM346456;C#CC(=CF)CC=C(C)C;SHIMCKXCCULPDN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346457;MM346457;C=CC(C)(C=C)CC1CO1;XTWHOMFGCHZMHH-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346458;MM346458;C#CC(=CC)CC=C(C)F;MHADAWBNXWKCDM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346459;MM346459;C=CC(C)(C=O)CC1CO1;JEVJOFKJRBLMBT-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346460;MM346460;C#CC(=CF)CC=C(C)F;YHTAMZFJFMTZFO-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346461;MM346461;C=CC(C)(C#N)CC1CO1;WIRJMMMEEIAMDL-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346462;MM346462;C#CC(=CC)CC=C(F)F;KWNHBBVHCUJTGV-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346463;MM346463;CC(C#N)(C#N)CC1CO1;CPLMBPYEUVXCFZ-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346464;MM346464;C#CC(=CF)CC=C(F)F;JXRAVVKQJHZGBL-UHFFFAOYSA-N;146.11;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346465;MM346465;C=CC(N)(C=C)CC1CO1;JMRAEEFLDNDQAF-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346466;MM346466;C#CC(CC=C(C)C)=NN;FTYIYPABBPFGNL-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346467;MM346467;C=CC(O)(C=C)CC1CO1;YBZUFWIAZPWLEP-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346468;MM346468;C#CC(CC=C(C)C)=NO;RIXTUFBCAKLIGK-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346469;MM346469;C=CC(O)(C=O)CC1CO1;ZBYGLAVAELGYLX-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346470;MM346470;C#CC(CC=C(C)F)=NO;CKPMMXBLZBPNEF-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346471;MM346471;C=CC(O)(C#N)CC1CO1;FMJYTBXXQJXBBN-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346472;MM346472;C#CC(=NC)NC=C(C)C;IVVVHXCANAAZGB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346473;MM346473;N#CC(O)(C=O)CC1CO1;HEGDQGJNFGYWSC-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346474;MM346474;C#CC(=NC=C(C)F)NN;XHXWKEKBYYVTKJ-UHFFFAOYSA-N;141.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346475;MM346475;N#CC(O)(C#N)CC1CO1;RSAVQGWWSMXVJI-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346476;MM346476;C#CCC(C)CCO;YEZSJZJAVVOCRN-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346477;MM346477;C=CC(F)(C=C)CC1CO1;GPCBCFCXJDTCMC-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346478;MM346478;O=C1CC(CCO)C1;UIEIWUVMWBRWII-UHFFFAOYSA-N;114.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346479;MM346479;C=CC(F)(C#N)CC1CO1;BDHYFMNVKYUVBD-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346480;MM346480;CC1CN1CCC=O;FURUCJYYOPDBFM-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346481;MM346481;C=CC(C)(C=O)CN1CC1;DESIWRCNXMLGJY-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346482;MM346482;C#CC(=NO)NC=C(F)F;DYSMPKDPBZJYCE-UHFFFAOYSA-N;146.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346483;MM346483;C#CC(C)(C#C)CCO;SNHRLDCRPOHVCX-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346484;MM346484;C=CC(C)(C#N)CN1CC1;FWLKHVLLVCQBNH-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346485;MM346485;C#CC(=CC)OC=C(C)C;MRIVJWLPHMYQFP-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346486;MM346486;CC(C#N)(C=O)CN1CC1;CMXLQQGTBGOHNC-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346487;MM346487;C#CC(=CF)OC=C(C)C;HLGULEIILOEMGD-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346488;MM346488;C=CC(N)(C=C)CN1CC1;CDBRFESEVFBYNR-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346489;MM346489;C#CC(=CC)OC=C(C)F;UZQATWJRNCRBDQ-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346490;MM346490;CON=C(C=O)C(C)=O;GQZYUQLGIKQPHF-UHFFFAOYSA-N;129.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346491;MM346491;C#CC(=CF)OC=C(C)F;WDBBUZLSTGVPPM-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346492;MM346492;N#CC(O)(C#N)CN1CC1;POHJPRSWARISDY-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346493;MM346493;C#CC(=CC)OC=C(F)F;LQVYERJLLUHALI-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346494;MM346494;C=CC(F)(C=C)CN1CC1;SHLYPSWJEUKCRN-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346495;MM346495;C#CC(=CF)OC=C(F)F;MTVJVABXKQBAIF-UHFFFAOYSA-N;148.08;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346496;MM346496;C=CC(F)(C=O)CN1CC1;VLIWUTUGDWJFCF-UHFFFAOYSA-N;143.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346497;MM346497;C=C(C#N)CC(C)CO;VVDYPNWORARFEE-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346498;MM346498;C=CC(F)(C#N)CN1CC1;OFYJTNGUIFZNFA-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346499;MM346499;C#CC(=NO)OC=C(C)C;UCTCREFLDREAQZ-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346500;MM346500;N#CC(F)(C#N)CN1CC1;VEUYUIJGMOJFFR-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346501;MM346501;C#CC1(C#C)CC(O)C1;VAVIURWFRAKJKS-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346502;MM346502;C#CC(C)(C=C)CC1CC1;CHOQIMQDXBYOHW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346503;MM346503;C#CC(=NO)OC=C(C)F;WETQPKRFIKNSDM-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346504;MM346504;C#CC(C)(C=O)CC1CC1;GWNSAJVHCANBJF-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346505;MM346505;C=NN1CCC(C=O)C1;QQHCLVZEDPTBTO-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346506;MM346506;C#CC(C)(C#N)CC1CC1;OPFWPDVLAAKWOD-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346507;MM346507;CCC(=CCC(C)C)CC;GVLFNPFLWREYTG-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346508;MM346508;C#CC(N)(C=C)CC1CC1;WAHBJBHCPSZSLG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346509;MM346509;CCC(=CCC(C)C)CF;YCGVIBGPALTTNG-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346510;MM346510;C#CC(O)(C=C)CC1CC1;UVTWUMFWKQSNDO-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346511;MM346511;CC(C)CC=C(CN)CN;GCBZAMBNDDBTCO-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346512;MM346512;C#CC(O)(C=O)CC1CC1;ADFUPLDWVJDRNQ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346513;MM346513;CC(C)CC=C(CN)CO;PMYPGQDTMBDLNA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346514;MM346514;C#CC(O)(C#N)CC1CC1;XYHKBFXFPVPZLT-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346515;MM346515;CC(C)CC=C(CN)CF;XPKSPHNMEFPPOJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346516;MM346516;C#CC(F)(C=C)CC1CC1;HKIKJJBIBKKPJM-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346517;MM346517;CCC(=CCC(C)N)CC;PBZCJKNPRLLEEO-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346518;MM346518;C#CC(F)(C=O)CC1CC1;KTGQVORQTWPJPJ-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346519;MM346519;CCC(=CCC(C)N)CN;UKQJIWRSQICNBN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346520;MM346520;C#CC(C)(C=C)NC1CC1;YQJBDSQUPQRJJU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346521;MM346521;CCC(=CCC(C)N)CO;HRLSMUBOFBGDRV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346522;MM346522;C#CC(C)(C#N)NC1CC1;MHPPJYIEZHEKKM-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346523;MM346523;CCC(=CCC(C)N)CF;VUNHGXNPUGEBLS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346524;MM346524;C#CC(C)(C=C)OC1CC1;BCHXJVHXAGBTQN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346525;MM346525;CC(N)CC=C(CN)CN;TYJVJTUSSZEQLU-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346526;MM346526;C#CC(C)(C#N)OC1CC1;PTLJZEGLDIZZIS-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346527;MM346527;CC(N)CC=C(CO)CO;ASGKHTMJWHWFLK-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346528;MM346528;C#CC(N)(C=C)CC1CN1;DJDWUDCPYHLJNR-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346529;MM346529;CCC1CN1CCC=O;QWCHHLNEEDSMHA-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346530;MM346530;CC(C)C1CC(CO)C1;FVHPFGGDBCIDRZ-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346531;MM346531;CCC(=CCC(C)O)CN;VBICFRATGKSFCY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346532;MM346532;C#CC(C)(C=C)CC1CO1;NYRKZYXGSQPZIW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346533;MM346533;CC(=O)C#CCCC(C)O;AKDCKQIWDYZUKY-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346534;MM346534;C#CC(C)(C#N)CC1CO1;HVTKFXMISQSVCP-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346535;MM346535;CC(O)CC=C(CO)CO;RVWCOZWFNCTTCT-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346536;MM346536;C#CC(N)(C=C)CC1CO1;KYQOTJPGSFXQQK-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346537;MM346537;CCC(=CCC(C)F)CC;DWWQANRLYJGETL-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346538;MM346538;C#CC(O)(C=C)CC1CO1;ZQLBNGIQFUKHKU-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346539;MM346539;CCC(=CCC(C)F)CN;XDZYNONEUPEVRE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346540;MM346540;C#CC(O)(C#N)CC1CO1;PYYHZKZCRFGHGV-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346541;MM346541;C=C(F)CN(C)CCC=O;DMUXOGOPQZDYOI-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346542;MM346542;C#CC(F)(C=C)CC1CO1;DXHHQFJENMHPDT-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346543;MM346543;CC(F)CC=C(CN)CN;OYTDRVJQGVFURF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346544;MM346544;C#CC(C)(C=O)CN1CC1;ORELNJPFVBURAA-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346545;MM346545;CC(F)CC=C(CN)CO;UFWRJSVDTCAIRZ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346546;MM346546;C#CC(C)(C#N)CN1CC1;VIEIJNFXBJSUAZ-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346547;MM346547;CC(F)CC=C(CN)CF;JPIYWCSJDFTORS-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346548;MM346548;CC(O)C1CC(CO)C1;NKFISWORHPAFBX-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346549;MM346549;CCC(=CCC(F)F)CN;BAKZTRNUVFCOES-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346550;MM346550;C#CC(O)(C#N)CN1CC1;UKEYKAWHCZDDQZ-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346551;MM346551;CCC(=CCC(F)F)CF;QGZSXIMQYXBMSD-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346552;MM346552;C#CC(F)(C#N)CN1CC1;XKBFTMXWFULWDJ-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346553;MM346553;NCC(=CCC(F)F)CN;BKOSLKKDPDAIHU-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346554;MM346554;C#CC(C)(C#C)CC1CC1;NEQKMDXEAQYQQB-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346555;MM346555;NCC(=CCC(F)F)CF;QPMNLLSTFPWZIN-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346556;MM346556;C#CC(O)(C#C)CC1CC1;MBLSXQSZYSIRAZ-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346557;MM346557;COC(=CCC(C)C)CN;BRZPVSWDUGKHCY-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346558;MM346558;C#CC(F)(C#C)CC1CC1;DGVHYLCCQWSTJI-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346559;MM346559;CCC(=CCC(C)N)OC;KEJVMEIFTFOQQW-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346560;MM346560;C#CC(C)(C#C)OC1CC1;ZHOWLYPCJGSNOR-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346561;MM346561;COC(=CCC(C)N)CN;OLNMQHOTOOUJDR-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346562;MM346562;COC(=CCC(C)N)CO;RWYJVAOCDUQOSH-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346563;MM346563;C#CC(C)(C#C)CC1CO1;GNJDQQLKEIKUQG-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346564;MM346564;CCC(=CCC(C)O)OC;TXJKAPYSHQCSTB-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346565;MM346565;C#CC(O)(C#C)CC1CO1;KQPKMFMVOHGLLT-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346566;MM346566;COC(=CCC(C)O)CN;SNOGORKPHAJDFJ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346567;MM346567;C#CC(F)(C#C)CC1CO1;ARVCQMJTRALBBS-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346568;MM346568;CCC(=COC(C)C)CC;LBYUFZTXSQVTEB-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346569;MM346569;C#CC(C)(C#C)CN1CC1;GHVQTYTVRSIYOI-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346570;MM346570;CCNc1cc(C)on1;IRLRYTATPGGABP-UHFFFAOYSA-N;126.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346571;MM346571;CCC(=COC(C)C)CN;AMIUKPLXJGAHSD-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346572;MM346572;CCC(=COC(C)C)OC;ARYKUFRBEJNKEF-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346573;MM346573;C#CC(F)(C#C)CN1CC1;NHZCWNVULVFABI-UHFFFAOYSA-N;137.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346574;MM346574;CC1C2(C)CCC1(N)C2C;NWQNHOOOCAVJBX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346575;MM346575;COC(=COC(C)C)CN;AQSPKQBDJGRVQD-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346576;MM346576;CC1C2(C)C=CC1(N)C2C;XGKGQWPRIZOJEH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346577;MM346577;COC(=COC(C)C)CO;HJMSNKGLWUZIPM-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346578;MM346578;CC1C2(N)C=CC1(N)C2C;UBZWGXWXGNUGHS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346579;MM346579;CNC(=NCC(C)N)NC;IGKIMVHEYLVGRG-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346580;MM346580;CCCC1CC(CO)C1;KUZWRCIHXRUWQU-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346581;MM346581;CC(N)CN=C(NO)NO;PDNRHHFORAVJMR-UHFFFAOYSA-N;148.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346582;MM346582;CC12CCC(O)(CN)C1C2;NUUQYFPTFPQLGG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346583;MM346583;CNC(=NCC(C)O)NC;UZTFORDXNRFWFN-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346584;MM346584;CC12CCC(O)(CO)C1C2;QCYFVVKMNZPDAO-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346585;MM346585;CC(O)CN=C(NN)NN;CDUWAMBPQPZGSU-UHFFFAOYSA-N;147.18;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346586;MM346586;CCC1(N)CCC2(N)CC12;AAZAFMKLNNVXQC-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346587;MM346587;CC(O)CN=C(NN)NO;JDMQKJICDSJVAT-UHFFFAOYSA-N;148.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346588;MM346588;NCC1(N)CCC2(F)CC12;FRJUSDWHJZDVND-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346589;MM346589;CNC(=NCC(F)F)NC;OPVFFAZFQKHRAY-UHFFFAOYSA-N;151.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346590;MM346590;CCC1(O)CCC2(F)CC12;WNOKRQHQADCNNL-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346591;MM346591;NNC(=NCC(F)F)NN;HHXZIRQUIDFLJG-UHFFFAOYSA-N;153.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346592;MM346592;CNC1(C)CCC2(C)CC21;HMFLUSHLYFMGOA-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346593;MM346593;NNC(=NCC(F)F)NO;SYQYQVPCJFEEJI-UHFFFAOYSA-N;154.12;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346594;MM346594;CNC1(C)CCC2(O)CC21;IZIUHGRDKVLTMJ-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346595;MM346595;C#CCC(O)CC#CCC;ZGXXBTYBNUTVOG-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346596;MM346596;CNC1(C)CCC2(F)CC21;IYOGDIFZWJJJPJ-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346597;MM346597;C=NOC(C)C(C)CC=O;LMXPXICQVXJVFB-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346598;MM346598;CCC1(C)NCC2(C)CC21;LBSYRDYXNSINLS-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346599;MM346599;CC1(C#N)C=CC(CO)C1;YKUJXMYFVIXLLD-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346600;MM346600;CC12CNC(C)(CN)C1C2;ZUCMFPDDPSECLN-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346601;MM346601;CCC(CC)=NNC(C)C;JCDWENLYRDJHBG-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346602;MM346602;CCC1(C)NCC2(F)CC21;YFEFZMMKTOUCFJ-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346603;MM346603;CCC(CF)=NNC(C)C;TZYAGLMFZXHFGI-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346604;MM346604;CCC1(C)OCC2(O)CC21;ZCXNUIFVBRQUDA-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346605;MM346605;CC=C(C#N)CC(C)CO;MFFDWLUBODXJMF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346606;MM346606;CCC1(C)CNC2(C)CC12;LPHAQZVCWKUXCZ-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346607;MM346607;CNC(=NNC(C)C)NC;LYCAPKKRAKWKKS-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346608;MM346608;CC1(CN)CNC2(C)CC12;DFNYKHWAGFLJJH-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346609;MM346609;C#CC1(CO)CC(C=O)C1;XAXYUINZHQZTCT-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346610;MM346610;CCC1(N)CNC2(C)CC12;XMKQQDVSPYAHBN-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346611;MM346611;C#CC(C)=C(C)C1CC1O;SFSWOMJJJAKVFZ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346612;MM346612;CC12CC1C(N)(CN)CN2;VBWPXJUWCLLFOV-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346613;MM346613;CCC(CC)=NOC(C)C;GCUUUSNUSKGYNM-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346614;MM346614;CC12CC1C(N)(CO)CN2;DRUKBVIGHGONON-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346615;MM346615;CCC(CO)CC#CC#N;UTAFBHHUAWCLEP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346616;MM346616;CCC1(O)CNC2(C)CC12;AKLYZEJMIJWLGJ-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346617;MM346617;COC(=NOC(C)C)OC;SCKRYLVOLMPFDB-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346618;MM346618;CC12CC1C(O)(CN)CN2;PYNGXLIECQIYOQ-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346619;MM346619;CCC(=CCN(C)C)CC;CMNXNVIBONNSBL-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346620;MM346620;CCC1(F)CNC2(C)CC12;SLDNDLQOSQJREK-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346621;MM346621;CCC(=CCN(C)C)CN;ATFBKDIMRGPVNK-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346622;MM346622;CC12CC1C(F)(CN)CN2;DGNAAIMIUABMGX-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346623;MM346623;CCC(=CCN(C)C)CO;FNZBHMJAAYURFH-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346624;MM346624;CC12CC1C(F)(CO)CN2;NYWQVBHJTAMAEI-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346625;MM346625;CCC(=CCN(C)C)CF;QLWGRMYGEFTQRC-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346626;MM346626;CNC1(C)CNC2(C)CC12;OOAQEMDVLJENBB-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346627;MM346627;CCC(=CCN(C)C)OC;RGXFCPAXFUMDNA-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346628;MM346628;CCC1(C)COC2(C)CC12;MGORKBRRPOQQAF-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346629;MM346629;COC(=CCN(C)C)CN;CFPTULJHDZRVKC-UHFFFAOYSA-N;144.22;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346630;MM346630;CC1(CN)COC2(C)CC12;OXQVIDAUCVTJGP-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346631;MM346631;C=CC(=CCC(C)C)CC;LTIUXYORVCGTEK-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346632;MM346632;CCC1(N)COC2(C)CC12;QTVCVAHAKWDDPT-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346633;MM346633;CCC(C#N)=CCC(C)C;ZNTSPRXLVXWHNF-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346634;MM346634;CC12CC1C(N)(CN)CO2;SQNBXFDCXWZKML-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346635;MM346635;C=CC(=CCC(C)C)CN;LQMRYOUKCXFYQA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346636;MM346636;CC12CC1C(N)(CO)CO2;RLULZPQUOJOWOA-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346637;MM346637;C=CC(=CCC(C)C)CO;UOTSYHKKXZTLKM-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346638;MM346638;CCC1(O)COC2(C)CC12;NPSUCJVZQBZDEF-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346639;MM346639;CC(C)CC=C(C=O)CO;ZBSAPNWUPRGLCK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346640;MM346640;CC12CC1C(O)(CN)CO2;LJDLTWHPGFGXIK-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346641;MM346641;CC(C)CC=C(C#N)CO;RSAAIXVTEVRIFM-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346642;MM346642;CCC1(F)COC2(C)CC12;LYDQENOYLQCVDR-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346643;MM346643;C=CC(=CCC(C)C)CF;KLLMDYIOBFXQHJ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346644;MM346644;CC12CC1C(F)(CN)CO2;VNORDUMGLCAEMG-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346645;MM346645;CC(C)CC=C(C=O)CF;JZFVENFQWBPPGJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346646;MM346646;CC12CC1C(F)(CO)CO2;UXGSXBDXTXDVKM-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346647;MM346647;CC(C)CC=C(C#N)CF;IVTZMNAZPQVHFN-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346648;MM346648;CNC1(C)COC2(C)CC12;HBKZYCXJVSDEQI-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346649;MM346649;C=CC(=CCC(C)N)CC;IDNIAXQHTGPPSX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346650;MM346650;CC1C2(O)CCC1(CN)C2;DJYVVTAWDQLTDS-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346651;MM346651;C=C(CC=O)C(C#N)NC;PIDPQJJLFFVDNW-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346652;MM346652;C=CC12CCC(N)(C1)C2C;BNJFVLIUDHJEDL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346653;MM346653;CC(CCO)=C(C=O)C=O;SJCUBOLTTANQGP-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346654;MM346654;CC1C2(N)C=CC1(CN)C2;BVGNLWHIVYRBIO-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346655;MM346655;CC(O)CC=C(C=O)CO;XRTFORRLHAHVDC-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346656;MM346656;C=CCC1CC(CO)C1;CLIJXEQZXVQFIC-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346657;MM346657;C=CC(=CCC(C)F)CC;CMOUYTQCPYQPFJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346658;MM346658;CCC(C#N)=CCC(C)F;YMBBPSDBEFOZBG-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346659;MM346659;CNC12C=CC(N)(C1)C2C;QUFTXGUCLWXGEW-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346660;MM346660;C=CC(=CCC(C)F)CN;NLAPPMIOJXZWMS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346661;MM346661;CC1C2(O)C=CC1(C#N)C2;MSZSYAXGEJFRRM-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346662;MM346662;CC(F)CC=C(C=O)CO;RDLRXYRJFHLBLQ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346663;MM346663;O=CCC1CC(CO)C1;RCSNREYZKLGTFL-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346664;MM346664;CC(F)CC=C(C#N)CO;JEUOUGXWEMRPKG-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346665;MM346665;CCC12CCC(CC)(C1)C2;FKNXRDRWCXZODI-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346666;MM346666;CC(F)CC=C(C=O)CF;NDLSXAJYVZNUHH-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346667;MM346667;CCC12CCC(CN)(C1)C2;BGDZOKDVKATGIY-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346668;MM346668;C=CC(=CCC(F)F)CN;UOQTVZWOPIBVEI-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346669;MM346669;N#CCC1CC(CO)C1;YVVGSLRHXUNCPN-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346670;MM346670;N#CC(=CCC(F)F)CF;JUIDZEGEYDWBIJ-UHFFFAOYSA-N;149.12;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346671;MM346671;CCC12CCC(CF)(C1)C2;GCJIZUFALNCYAY-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346672;MM346672;C=CC(=CCC(C)C)OC;BHTCPPLKSUZVIV-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346673;MM346673;NCC12CCC(CN)(C1)C2;ZKCNRXKDYLWDND-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346674;MM346674;COC(C=O)=CCC(C)C;XXGCRUHEJMTEHZ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346675;MM346675;NCC12CCC(CO)(C1)C2;FTHOSRJVEDBTHT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346676;MM346676;C=CC(=CCC(C)N)OC;ANYMOQZZRZBCNN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346677;MM346677;NCC12CCC(CF)(C1)C2;WYJWACHSLRWFOD-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346678;MM346678;C=CC(=CCC(C)O)OC;PMJBRZVFKKMWMW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346679;MM346679;C#CCC1CC(CO)C1;SALUIYOGEVBHTL-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346680;MM346680;COC(C=O)=CCC(C)F;YZPIIJSPVKYFPI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346681;MM346681;CC#CC1CC(CO)C1;TVVYYISJIQJODT-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346682;MM346682;COC(C#N)=CCC(C)F;UHXMXPNUJCJTBQ-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346683;MM346683;FCC12CCC(CF)(C1)C2;YPVZRMXRVWYCOW-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346684;MM346684;COC(C#N)=CCC(F)F;PIAURXZSCURDRB-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346685;MM346685;CCC12CCC(NC)(C1)C2;GFYQDOQTMMEDOX-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346686;MM346686;CCC(C=O)=CNC(C)C;CDYULMYGIKVDCJ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346687;MM346687;CNC12CCC(CN)(C1)C2;YDBJSLXWVRRABM-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346688;MM346688;CCC(C#N)=CNC(C)C;GYRBOHBUKJSTOK-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346689;MM346689;CNC12CCC(CO)(C1)C2;YHBWDQGJAPVJGU-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346690;MM346690;CC(C)NC=C(C=O)CO;AVNPJTCJGTUTMO-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346691;MM346691;CNC12CCC(CF)(C1)C2;HSNOTEZEKFPQQS-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346692;MM346692;CC(C)NC=C(C=O)CF;ZEWJJRRYBCASGR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346693;MM346693;CCC12CCC(OC)(C1)C2;HTIYVQIYNRBLNP-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346694;MM346694;CC(C)NC=C(C#N)CF;YIMYYNDSSZVKJX-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346695;MM346695;COC12CCC(CN)(C1)C2;GIJHNQUXRUEVGD-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346696;MM346696;COC(C=O)=CNC(C)C;ODTRSFFKVSNVKN-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346697;MM346697;COC12CCC(CO)(C1)C2;UTPJUILLUMDFNF-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346698;MM346698;COC(C#N)=CNC(C)C;VRBFUVRUWICFPQ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346699;MM346699;COC12CCC(CF)(C1)C2;HXVKPHGRCANDMD-UHFFFAOYSA-N;144.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346700;MM346700;C=CC(=COC(C)C)CC;BKCIKHZZWGFASE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346701;MM346701;CNC12CCC(NC)(C1)C2;OZCDCCFHYMOPRS-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346702;MM346702;CCC(C#N)=COC(C)C;GNRKBPRWRDGCLB-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346703;MM346703;CNC12CCC(OC)(C1)C2;XTPFVZOFXHUUMZ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346704;MM346704;C=CC(=COC(C)C)CN;DJJHPUAQNBEUQM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346705;MM346705;COC12CCC(OC)(C1)C2;NANIORFJMYJMQH-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346706;MM346706;C=CC(=COC(C)C)CO;PSQPYJNAHXRHSY-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346707;MM346707;CCC12CNC(CC)(C1)C2;UIEWEJAZZRZOLS-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346708;MM346708;C=CC(=COC(C)C)CF;XDEWATJBXKDZIA-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346709;MM346709;CCC12CNC(CN)(C1)C2;ZCOWYDTWYPKXKG-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346710;MM346710;CC(C)OC=C(C#N)CF;RXVOVQOPCCCYNY-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346711;MM346711;CCC12CNC(CO)(C1)C2;GYSQWFHCZJIUGV-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346712;MM346712;C=CC(=COC(C)C)OC;GIIHZXJBSSPGSV-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346713;MM346713;CCC12CNC(CF)(C1)C2;POWIDXGPRNGBTL-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346714;MM346714;COC(C=O)=COC(C)C;VMZAFTCWOJASRY-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346715;MM346715;CCC12CC(CN)(CN1)C2;ALILHOGBVYNCLE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346716;MM346716;COC(C#N)=COC(C)C;GHHNQURIRZPFCN-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346717;MM346717;NCC12CNC(CN)(C1)C2;SZAPXMJAGVNZLV-UHFFFAOYSA-N;141.22;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346718;MM346718;C=CC(CC)=NNC(C)C;FMBTZDMLCMNQDP-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346719;MM346719;NCC12CNC(CO)(C1)C2;CFQOFQCHFQIYMD-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346720;MM346720;C=CC(CF)=NNC(C)C;LCPIPZLAYJJBDF-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346721;MM346721;NCC12CNC(CF)(C1)C2;LEZMYALDFKMFLN-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346722;MM346722;C=CC(CN)=NOC(C)C;PUZOVEQAMMTUGY-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346723;MM346723;CCC12CC(CO)(CN1)C2;XSDBVJIFXUQHPY-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346724;MM346724;C=CC(=CCN(C)C)CC;VPDSRLGCTGRXIQ-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346725;MM346725;NCC12CC(CO)(CN1)C2;PFFFKBHRJAJVCH-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346726;MM346726;C=CC(=CCN(C)C)CN;LTKIZKPZRWIEEX-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346727;MM346727;OCC12CNC(CF)(C1)C2;QHGYPJNIJWIICZ-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346728;MM346728;C=CC(=CCN(C)C)CF;HXVBZTKWAYPSQF-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346729;MM346729;CCC12CC(CF)(CN1)C2;AAWJLWHWCSCUDK-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346730;MM346730;C=CC(=CCN(C)C)OC;DWSADDFCBTYAJB-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346731;MM346731;NCC12CC(CF)(CN1)C2;MVUCFLNEQHLJHF-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346732;MM346732;C#CC(=CCC(C)C)CC;BSKJVBWFQVENNQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346733;MM346733;OCC12CC(CF)(CN1)C2;ZHERQZLZAYRAAE-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346734;MM346734;C#CC(=CCC(C)C)CN;RVSAMJROMWMXGG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346735;MM346735;FCC12CNC(CF)(C1)C2;IVGRNLXVDANHGU-UHFFFAOYSA-N;147.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346736;MM346736;C#CC(=CCC(C)C)CO;BCEZWUFIADBLGB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346737;MM346737;CCC12CC(NC)(CN1)C2;RKYOVAWMECKUKN-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346738;MM346738;C#CC(=CCC(C)C)CF;KUAOIOXUYIRIHK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346739;MM346739;CNC12CNC(CN)(C1)C2;OEINNRCQFQZDHS-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346740;MM346740;C#CC(=CCC(C)N)CC;UHAFBCRDARSCMF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346741;MM346741;CNC12CNC(CO)(C1)C2;MSNUGFRCKGPOIX-UHFFFAOYSA-N;142.2;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346742;MM346742;C#CC(=CCC(C)N)CN;DLZLNJRZKBDBGX-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346743;MM346743;CNC12CNC(CF)(C1)C2;KVMQTUWCPDTKMJ-UHFFFAOYSA-N;144.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346744;MM346744;C=C1C(C=O)=CC=C1CO;FJWZWCYGKTWWHZ-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346745;MM346745;CCC12CC(OC)(CN1)C2;ASPMIFWFPLWGSZ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346746;MM346746;C#CC(C#C)C1CC1CO;BOSCGXBJRWJYMQ-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346747;MM346747;COC12CNC(CN)(C1)C2;DVPFZKDQQVCHHX-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346748;MM346748;C#CC(=CCC(C)F)CC;LRDZVXADQHQKSX-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346749;MM346749;COC12CNC(CO)(C1)C2;HZKXKPOCFANNPC-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346750;MM346750;C#CC(=CCC(F)F)CC;QXKNIUQUHSDJIY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346751;MM346751;COC12CNC(CF)(C1)C2;XTUOENFMNLLUKT-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346752;MM346752;C#CC(=CCC(C)C)OC;ZLBFCQDIYXHLCK-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346753;MM346753;CCC12COC(CC)(C1)C2;AEPJCBJZJBANTD-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346754;MM346754;C#CC(=CCC(C)N)OC;OSTQHSFCTVYELN-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346755;MM346755;CCC12COC(CN)(C1)C2;TVZCMRAQKHFNRF-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346756;MM346756;C#CC(=CCC(C)O)OC;ASUXSQKZDCOTST-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346757;MM346757;CCC12COC(CO)(C1)C2;FEBGNVHJCXQJHU-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346758;MM346758;C#CC(=CCC(F)F)OC;DWGIXCQPWPFXRS-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346759;MM346759;CCC12CC(CN)(CO1)C2;MUHPDKXJTCAVDK-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346760;MM346760;C#CC(=COC(C)C)CC;XWIMSAWTCDYJQM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346761;MM346761;NCC12COC(CN)(C1)C2;XZYMDXJTYDGUNG-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346762;MM346762;C#CC(=COC(C)C)CN;RMCCSGFGRVKKSZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346763;MM346763;NCC12COC(CO)(C1)C2;SVGDSZWRQRWNGS-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346764;MM346764;C#CC(=COC(C)C)CO;ZXFSWFORDAUNKI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346765;MM346765;NCC12COC(CF)(C1)C2;FBMUGUYVNAETIB-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346766;MM346766;C#CC(=COC(C)C)CF;RWTLZMIFWQJJCF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346767;MM346767;CCC12CC(CO)(CO1)C2;ALFUILODTSKKCJ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346768;MM346768;C#CC(CC)=NNC(C)C;NWZCXMNZRAHCMV-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346769;MM346769;NCC12CC(CO)(CO1)C2;XBPXFUVDQVZQLG-UHFFFAOYSA-N;143.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346770;MM346770;C#CC(CC)=NOC(C)C;LMPWTYCYFCIKAA-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346771;MM346771;OCC12COC(CO)(C1)C2;HNWBJEJYPDCFMN-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346772;MM346772;C#CC(=CCN(C)C)CC;LYLPFSVLFPZYDT-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346773;MM346773;OCC12COC(CF)(C1)C2;BXUFWALNVDWJBK-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346774;MM346774;C#CC(=CCN(C)C)CF;FZPDCXWQVNMNDF-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346775;MM346775;CCC12CC(CF)(CO1)C2;NKDDBMZLKAHKMO-UHFFFAOYSA-N;144.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346776;MM346776;C=CC(C=C)=CCC(C)C;ZABXURAJJWOARW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346777;MM346777;NCC12CC(CF)(CO1)C2;NXGFALWOBSKJGU-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346778;MM346778;C=CC(C=O)=CCC(C)C;MXYNZKAKDQDSRX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346779;MM346779;OCC12CC(CF)(CO1)C2;PPNJHUZPQPKEOX-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346780;MM346780;C=CC(C#N)=CCC(C)C;VQHBSOCRZMEGLB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346781;MM346781;FCC12COC(CF)(C1)C2;LYGVIABWJXIBHB-UHFFFAOYSA-N;148.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346782;MM346782;CC(C)CC=C(C=O)C=O;FGWPFRXTLOSRLC-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346783;MM346783;CCC12COC(OC)(C1)C2;QOOCBOFHBPIGLU-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346784;MM346784;CC(C)CC=C(C#N)C=O;BRKDZQCNNZYDQB-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346785;MM346785;COC12CC(CN)(CO1)C2;DBHPLQMPDIOEQP-UHFFFAOYSA-N;143.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346786;MM346786;C=CC(C=C)=CCC(C)N;HUAUSRIRZPGORU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346787;MM346787;COC12CC(CO)(CO1)C2;HEMGPRAVXGHVOX-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346788;MM346788;N=CN(C=O)C1CC1C=O;GMDCOCFBNDGJRM-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346789;MM346789;COC12CC(CF)(CO1)C2;BZCXPNIKMXWYGB-UHFFFAOYSA-N;146.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346790;MM346790;C#CCC=NNC=NN=C;WLUFZIMJLXLEIR-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346791;MM346791;CCC12CC(NC)(CO1)C2;SYZMBMNVKKHTNS-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346792;MM346792;C=CC(=C)CCO;CKMILIDJFMEGAX-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346793;MM346793;CNC12COC(CN)(C1)C2;NJIAIJIOLJJMPQ-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346794;MM346794;C=CC(C#N)=CCC(C)F;KUESNQLUFSUPNR-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346795;MM346795;CNC12COC(CO)(C1)C2;HFDMYGOQMPQKLF-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346796;MM346796;CC(F)CC=C(C#N)C#N;GFDBIFPVQGCVLN-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346797;MM346797;CNC12COC(CF)(C1)C2;CBWIRULHIFVKQO-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346798;MM346798;C=CC(C=C)=CCC(F)F;INZQVJWJQZJKMH-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346799;MM346799;CNC12COC(OC)(C1)C2;SYWOZWXZRDSPOV-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346800;MM346800;C=CC(C=O)=CCC(F)F;JYVXFIDPYMKSEV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346801;MM346801;CCC12CC(OC)(CO1)C2;FIDUEEVPHOREBH-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346802;MM346802;C=CC(C#N)=CCC(F)F;BDBAKACNHAEUHU-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346803;MM346803;COC12COC(CN)(C1)C2;OIKPIQJVEATWKJ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346804;MM346804;O=CC(C=O)=CCC(F)F;KXPGLQLCSAXLIV-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346805;MM346805;COC12COC(CO)(C1)C2;GWGPSUXSHUOEBQ-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346806;MM346806;N#CC(C=O)=CCC(F)F;MSVCSEGJZADMLE-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346807;MM346807;COC12COC(OC)(C1)C2;BTEWCRWNCDAQKP-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346808;MM346808;C=CC(C=O)=CNC(C)C;DEHYEQWUKVZNHK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346809;MM346809;CCC12CCC(CC)(C1)N2;PNDXIJKNLLNGFW-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346810;MM346810;C=CC(C#N)=CNC(C)C;WZCJDMFIIMAOHJ-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346811;MM346811;CCC12CCC(CN)(C1)N2;AEHAQDLEGZHKAE-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346812;MM346812;CC(C)NC=C(C#N)C#N;REKQUQHUKSAXPW-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346813;MM346813;CCC12CCC(CO)(C1)N2;RBMJBNRDHCPDDS-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346814;MM346814;C=CC(C=C)=COC(C)C;KGWVMECIWWYYNE-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346815;MM346815;CCC12CCC(CF)(C1)N2;OCYGVSZUJRAGTA-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346816;MM346816;C=CC(C=O)=COC(C)C;PNOPLRUEYZWXQG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346817;MM346817;NCC12CCC(CN)(C1)N2;ZYOZSJJAAOWLRU-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346818;MM346818;C=CC(C#N)=COC(C)C;FRGISEIJQIYKJG-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346819;MM346819;NCC12CCC(CO)(C1)N2;GBZHLCDRVUDJHP-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346820;MM346820;CC(C)OC=C(C=O)C=O;RAWQWSWUPBJOQN-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346821;MM346821;NCC12CCC(CF)(C1)N2;DQGSWWKKGHCDCJ-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346822;MM346822;CC(C)OC=C(C#N)C=O;KBDQBUSYPGLLIB-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346823;MM346823;OCC12CCC(CO)(C1)N2;LZFDGIYHLKEUMC-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346824;MM346824;CC(C)OC=C(C#N)C#N;KZSMKKMMSAMRGV-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346825;MM346825;CCC12CCC(CC)(C1)O2;UCNQNHQSZUTQIV-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346826;MM346826;C=CC(C=C)=NNC(C)C;JSBKYZSSWYWRLL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346827;MM346827;CCC12CCC(CN)(C1)O2;ZTYCMBVQGJFZCR-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346828;MM346828;CC(C)ON=C(C=O)C=O;AOWBWNYZXYNOPZ-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346829;MM346829;CCC12CCC(CO)(C1)O2;DWYMKFSIXONDKE-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346830;MM346830;C=CC(C=C)=CCN(C)C;WOMXWFDIMWSCDH-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346831;MM346831;CCC12CCC(CF)(C1)O2;BMOPKLKUZQJDAO-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346832;MM346832;C#CC(C=C)=CCC(C)C;WQHKZDHAXNFRNL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346833;MM346833;NCC12CCC(CN)(C1)O2;JDBJQQMOIVTKPS-UHFFFAOYSA-N;142.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346834;MM346834;C#CC(C=O)=CCC(C)C;WVAVCVVPZVBWFW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346835;MM346835;NCC12CCC(CO)(C1)O2;OXVRXLMNPVOAGG-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346836;MM346836;C#CC(C#N)=CCC(C)C;RWLBBPNTAYNKAK-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346837;MM346837;NCC12CCC(CF)(C1)O2;LTSCSZHPMHJNDS-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346838;MM346838;C#CC(C=C)=CCC(C)N;KASHTYQVGCTVQO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346839;MM346839;OCC12CCC(CO)(C1)O2;KJXITKFFTYDKTB-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346840;MM346840;C=C(C=CC)CCO;MFFYFEVROVTBQX-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346841;MM346841;OCC12CCC(CF)(C1)O2;TXVDDSCEFSTWON-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346842;MM346842;C=C(C=CF)CCO;SLUWBHWWENXKOU-UHFFFAOYSA-N;116.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346843;MM346843;FCC12CCC(CF)(C1)O2;WAXHSEJIGUWPRF-UHFFFAOYSA-N;148.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346844;MM346844;C#CC(C=C)=CCC(C)F;CPDVUQUPEPVNHP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346845;MM346845;C=CC12CCC(CC)(C1)C2;PEZOTXPEPLAFGF-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346846;MM346846;C#CC(C=O)=CCC(C)F;WDCTVCQKNRBDBO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346847;MM346847;CCC12CCC(C=O)(C1)C2;YBXOWWYVUJSHRZ-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346848;MM346848;C#CC(C#N)=CCC(C)F;FPJWKYIDBYIPAA-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346849;MM346849;CCC12CCC(C#N)(C1)C2;QUKWOSSHZRXAOK-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346850;MM346850;C#CC(C=C)=CCC(F)F;UGROHUGIAPJDCC-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346851;MM346851;C=CC12CCC(CN)(C1)C2;XIBVDYOSRSWWCI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346852;MM346852;C#CC(C=O)=CCC(F)F;GLWYHPYRKOJKHJ-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346853;MM346853;CNc1[nH]cc(F)c1C;OPVKMVLLZNCVLN-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346854;MM346854;C#CC(C#N)=CNC(C)C;ICSGKEKXHSHDHT-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346855;MM346855;Cc1noc(C#N)c1N;HCCLYQHNQBBEOS-UHFFFAOYSA-N;123.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346856;MM346856;C#CC(C=C)=COC(C)C;LSUZZDUXLINJIX-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346857;MM346857;C=C(CCC)C1CC1O;FJJPNQGCINMUTD-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346858;MM346858;C#CC(C=O)=COC(C)C;OPVJFHOGMOOZOJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346859;MM346859;C=CC12CCC(CF)(C1)C2;HUKUGDGBWQXOJW-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346860;MM346860;C#CC(C#N)=COC(C)C;MLMOJYYZPJTNJQ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346861;MM346861;O=CC12CCC(CF)(C1)C2;ZRDKNWLDDKCNCW-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346862;MM346862;C#CC(C=C)=NNC(C)C;QDCWJGNRYQXFEQ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346863;MM346863;N#CC12CCC(CF)(C1)C2;RTRAPEZGBTUSAY-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346864;MM346864;C#CC(C=C)=NOC(C)C;DSMCUEDASDRBBE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346865;MM346865;C=CC12CCC(NC)(C1)C2;NKCZNKNQCKECIY-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346866;MM346866;CNC12CCC(C=O)(C1)C2;NUMKMRNICAPOOV-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346867;MM346867;C#CC(C=C)=CCN(C)C;YDEPSRDFVCSRKZ-UHFFFAOYSA-N;135.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346868;MM346868;CNC12CCC(C#N)(C1)C2;ZJTMUDWGORVGTC-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346869;MM346869;C#CC(C#C)=CCC(C)C;SAILXLTXLRAEJE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346870;MM346870;C=CC12CCC(OC)(C1)C2;SLMPYLPEBVXALC-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346871;MM346871;C#CC(C#C)=CCC(C)N;BPOAEIUUWJKIAQ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346872;MM346872;COC12CCC(C=O)(C1)C2;YNPWUHXHDHZOCX-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346873;MM346873;C=C1CC(C)=CC1O;PEPQSVPJLIJDJH-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346874;MM346874;COC12CCC(C#N)(C1)C2;TYTKCRQNGYUNAX-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346875;MM346875;C#CC(C#C)=CCC(C)F;MTIZMFPHNYFBDP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346876;MM346876;C=CC12CC(CC)(CN1)C2;BSBMBMHMZPZYEW-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346877;MM346877;C#CC(C#C)=COC(C)C;CJALMKPLAYSSBK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346878;MM346878;CCC12CNC(C=O)(C1)C2;ICULXEDVGNUNIB-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346879;MM346879;C#CC(C#C)=NOC(C)C;ARQJGRPNIYDPRT-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346880;MM346880;CCC12CNC(C#N)(C1)C2;HHKJQHHONQDOQU-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346881;MM346881;C#CC(C#C)=CCN(C)C;OMFJUWAGKAXCRA-UHFFFAOYSA-N;133.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346882;MM346882;C=CC12CC(CN)(CN1)C2;SEPUWOZNXCNTKV-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346883;MM346883;C=C(C)CC=C(CC)CC;XBHYLSHXFKVBPV-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346884;MM346884;C=CC12CC(CO)(CN1)C2;CIDNGVUSUWURBI-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346885;MM346885;C=C(C)CC=C(CC)CN;COKZKDOIKDWKBI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346886;MM346886;O=CC12CC(CO)(CN1)C2;NHHCBOAKHZPXSI-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346887;MM346887;C=C(C)CC=C(CN)CN;ISCYLNYJQFXAAE-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346888;MM346888;COC(=O)C1NC1C=O;ZTJLYNRRUYFTFT-UHFFFAOYSA-N;129.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346889;MM346889;C=C(C)CC=C(CN)CF;UKBFEXHFMMGHSD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346890;MM346890;C=CC12CC(CF)(CN1)C2;DCXIAHGBEDSKNZ-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346891;MM346891;CCC(=CCC(C)=O)CC;UQQLWTHFZPPTRJ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346892;MM346892;O=CC12CC(CF)(CN1)C2;BJMNYXKYRSDZOA-UHFFFAOYSA-N;143.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346893;MM346893;CCC(=CCC(C)=O)CO;GFEIVHDGRQGHRY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346894;MM346894;N#CC12CC(CF)(CN1)C2;AHUVEVVLLNHUHK-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346895;MM346895;CCC(=CCC(=N)N)CC;SEHIKCGZAOARMV-UHFFFAOYSA-N;140.23;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346896;MM346896;C=CC12CC(NC)(CN1)C2;HKQSKMUKFKIYBS-UHFFFAOYSA-N;138.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346897;MM346897;CCC(=CCC(=N)N)CN;UVZDTQQNOUSOOS-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346898;MM346898;CNC12CNC(C=O)(C1)C2;QZHSPNWPXRQPSF-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346899;MM346899;CCC(=CCC(=N)N)CO;WBURJZGBBHPKOG-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346900;MM346900;C=CC12CC(OC)(CN1)C2;NBTKEEZMUBBFDD-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346901;MM346901;CCC(=CCC(=N)N)CF;QPCBNPQBQPPICQ-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346902;MM346902;COC12CNC(C#N)(C1)C2;RCIXPYKIVHGGRL-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346903;MM346903;N=C(N)CC=C(CF)CF;QEJHYUFONWLYBT-UHFFFAOYSA-N;148.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346904;MM346904;C=CC12CC(CC)(CO1)C2;SZKNDJPGKUYQJL-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346905;MM346905;C=C1C(C)C=CC1O;IYGXPBGEHCTAKI-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346906;MM346906;CCC12COC(C=O)(C1)C2;NTHOWUJRUUQDDV-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346907;MM346907;CCC(=CCC(N)=O)CN;RKQBHKLRQHDWPT-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346908;MM346908;CCC12COC(C#N)(C1)C2;KJJBUIQHNASLQM-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346909;MM346909;CCC(=CCC(N)=O)CF;GXDJWWZNYLUMCF-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346910;MM346910;C=CC12CC(CN)(CO1)C2;QBUKWRBECJNQBS-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346911;MM346911;NCC(=CCC(N)=O)CN;HDDAFLOTDKJKNT-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346912;MM346912;C=CC12CC(CO)(CO1)C2;HLRQCKNYTPDRBZ-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346913;MM346913;CCC(F)(F)C(O)C(=O)O;MEUIGCIAYODXQZ-UHFFFAOYSA-N;154.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346914;MM346914;O=CC12CC(CO)(CO1)C2;VWWDLTXCSPIDTG-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346915;MM346915;O=CCCONC(=O)CF;BCVBCUSMMNTYMK-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346916;MM346916;N#CC12CC(CO)(CO1)C2;BFVBJGGORUAYEY-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346917;MM346917;C=C(F)CC=C(CN)CN;ASILPFYZCQWJGL-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346918;MM346918;C=CC12CC(CF)(CO1)C2;CPMNBDBVILTSBG-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346919;MM346919;C=C(C)CC=C(CN)OC;BRYOIJDPWHWYAP-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346920;MM346920;O=CC12CC(CF)(CO1)C2;GXAWARZEBFVANX-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346921;MM346921;C=C(C)CC=C(CO)OC;JZSACPWNERVCKK-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346922;MM346922;N#CC12CC(CF)(CO1)C2;XEMUOGVIJBPOJV-UHFFFAOYSA-N;141.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346923;MM346923;CCC(=CCC(C)=O)OC;WTGOBTOVOCLWSN-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346924;MM346924;C=CC12CC(NC)(CO1)C2;QYAWCAZXZDLYPP-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346925;MM346925;COC(=CCC(C)=O)CO;QSKQDWIROKOWPQ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346926;MM346926;CNC12COC(C=O)(C1)C2;FSJREAGYDWZWRQ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346927;MM346927;CCC(=CCC(=N)N)OC;GNLRBKVKKSDHNY-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346928;MM346928;C=CC12CC(OC)(CO1)C2;OZCYZBZMYWWAQZ-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346929;MM346929;COC(=CCC(=N)N)CO;HJOOVGGKFCIONN-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346930;MM346930;COC12COC(C=O)(C1)C2;COQBOYBFHPZDMB-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346931;MM346931;CCN=C(NC=O)C(=O)O;QLXZDFJOCQESRL-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346932;MM346932;COC12COC(C#N)(C1)C2;XJJGTOFSXWDYMR-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346933;MM346933;C=C(F)CC=C(CN)OC;GXBOCNLNCJHSCA-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346934;MM346934;C=CC12CNC(CC)(C1)C2;CFEIVJFVUYXJPO-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346935;MM346935;C=C(F)CC=C(CO)OC;LWOUXTWWULSSPW-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346936;MM346936;CCC12CC(C=O)(CN1)C2;QBLAHRIXFVNHMS-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346937;MM346937;CCC(=CNC(C)=N)CC;ZHXNSUPPSNOWCI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346938;MM346938;CCC12CC(C#N)(CN1)C2;YDVXPQYPMVFHMD-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346939;MM346939;CCC(=CNC(C)=N)CN;LNRWBRWMFCCJLV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346940;MM346940;C=CC12CNC(CN)(C1)C2;FQXARQKOIIREPI-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346941;MM346941;CC(=N)NC=C(CN)CN;KFRPAHBAVZONKO-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346942;MM346942;C=CC12CNC(CO)(C1)C2;RVEFDIKUUHVPKF-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346943;MM346943;CC(=N)NC=C(CN)CO;FYHWEHRGETVKRA-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346944;MM346944;O=CC12CNC(CO)(C1)C2;OMPOYPVJYDYXOE-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346945;MM346945;CC(=N)NC=C(CO)CO;GCRCZEYFKOSRRI-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346946;MM346946;C=CC12CNC(CF)(C1)C2;WTHJGIIYVXPOQS-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346947;MM346947;CC(=N)NC=C(CF)CF;WWCRBIHZUHVGSW-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346948;MM346948;O=CC12CNC(CF)(C1)C2;ZKDDNKUMDRMNCT-UHFFFAOYSA-N;143.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346949;MM346949;CCC(=CNC(C)=O)CC;NRRZGKOVVFCQNM-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346950;MM346950;C=CC12COC(CC)(C1)C2;DGTHVWVVPPNABX-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346951;MM346951;CCC(=CNC(C)=O)CN;IDVIZVNJVHHORF-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346952;MM346952;CCC12CC(C=O)(CO1)C2;WUBKLWONQXQHRJ-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346953;MM346953;CCC(=CNC(C)=O)CO;YLFLLVSIVGLVES-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346954;MM346954;CCC12CC(C#N)(CO1)C2;HPUPJDKNQQQYCJ-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346955;MM346955;CCC(=CNC(C)=O)CF;XFFJZLZLNMROHN-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346956;MM346956;C=CC12COC(CN)(C1)C2;YAXAAGQGBBCWDP-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346957;MM346957;CC(=O)NC=C(CN)CN;PYRPKCMFQSBUGX-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346958;MM346958;C=CC12COC(CO)(C1)C2;FQLQYEGMWJIEIC-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346959;MM346959;CC(=O)NC=C(CN)CF;CEKZNCXANHFKCM-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346960;MM346960;O=CC12COC(CO)(C1)C2;WPTZWZBVRKPBRK-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346961;MM346961;CCC(=CNC(=N)N)CC;FIYXAPFHCUTLGK-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346962;MM346962;N#CC12COC(CO)(C1)C2;ANUFVOUQNSGIJB-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346963;MM346963;CCC(=CNC(=N)N)CN;REEHETVLEMKYCI-UHFFFAOYSA-N;142.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346964;MM346964;C=CC12COC(CF)(C1)C2;HXYWWCQRLBVGHA-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346965;MM346965;N=C(N)NC=C(CN)CN;DBQOJRXTUSYTCX-UHFFFAOYSA-N;143.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346966;MM346966;O=CC12COC(CF)(C1)C2;JBNKGSPOJHUACY-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346967;MM346967;N=C(N)NC=C(CN)CO;DFLINBYXILZYFX-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346968;MM346968;N#CC12COC(CF)(C1)C2;NMEDGHFZQSZNKH-UHFFFAOYSA-N;141.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346969;MM346969;N=C(N)NC=C(CF)CF;QHIVHAACZJOTRX-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346970;MM346970;C=CC12COC(OC)(C1)C2;WXQWQZSSHNHUQC-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346971;MM346971;CCC(=CNC(N)=O)CC;WEGGWAPHMMYOTD-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346972;MM346972;COC12CC(C=O)(CO1)C2;HSUBESFRVIXFMK-UHFFFAOYSA-N;142.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346973;MM346973;CCC(=CNC(N)=O)CN;WEGFZHSMJNTYSZ-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346974;MM346974;COC12CC(C#N)(CO1)C2;GYHYLAAPXYCONU-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346975;MM346975;CCC(=CNC(N)=O)CF;YUNWHGNXJGREKZ-UHFFFAOYSA-N;146.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346976;MM346976;C=CC12CCC(CC)(C1)N2;XZBAORBAUYCLCE-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346977;MM346977;NCC(=CNC(N)=O)CN;DJJWMFCERAGAGZ-UHFFFAOYSA-N;144.18;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346978;MM346978;CCC12CCC(C=O)(C1)N2;IOZYFJVJFCPMBA-UHFFFAOYSA-N;139.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346979;MM346979;NCC(=CNC(N)=O)CO;OSCCHPWHKMRBPH-UHFFFAOYSA-N;145.16;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346980;MM346980;CCC12CCC(C#N)(C1)N2;OCUFKKCGYRUNSR-UHFFFAOYSA-N;136.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346981;MM346981;NCC(=CNC(N)=O)CF;VNHUWDZYAONWAT-UHFFFAOYSA-N;147.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346982;MM346982;C=CC12CCC(CN)(C1)N2;QSSXKYKMGSKGEW-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346983;MM346983;NC(=O)NC=C(CO)CF;JHIRMSTXEHNSNG-UHFFFAOYSA-N;148.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346984;MM346984;C=CC12CCC(CO)(C1)N2;SAFVGASOBMXFER-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346985;MM346985;NC(=O)NC=C(CF)CF;JTGJSKGJSRXOMM-UHFFFAOYSA-N;150.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346986;MM346986;CCNN=CCCC=O;OUYJHGTVYOPHGN-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346987;MM346987;CCC(=CNC(C)=N)OC;ZYABUDBCDILDFQ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346988;MM346988;N#CC12CCC(CF)(C1)N2;RTSTVHPAVPSXCW-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346989;MM346989;COC(=CNC(C)=N)CN;DHWPQEBCZQLPQH-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346990;MM346990;C=CC12CCC(CC)(C1)O2;NCSRAVZRYGTRLR-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346991;MM346991;CCC(=CNC(C)=O)OC;FWOSAOCKEMHGMI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346992;MM346992;CCC12CCC(C=O)(C1)O2;BEBAFWZBBZASIT-UHFFFAOYSA-N;140.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346993;MM346993;COC(=CNC(C)=O)CN;NMCCTCXILYJAPM-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346994;MM346994;CCC12CCC(C#N)(C1)O2;NSZVJUNXYZLVEL-UHFFFAOYSA-N;137.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346995;MM346995;COC(=CNC(C)=O)CO;SJRPXFGNKOZIDR-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346996;MM346996;C=CC12CCC(CN)(C1)O2;WTZFPXUXQUXCPT-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346997;MM346997;COC(=CNC(=N)N)CN;BUCWPCXOSCVUPF-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346998;MM346998;C=CC12CCC(CO)(C1)O2;AUJSKVRHSQVCQL-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM346999;MM346999;COC(=CNC(=N)N)CO;HCSGBOXULZMATE-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347000;MM347000;COC(=CNC(=N)N)CF;DZQAMADBWQTHRQ-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347001;MM347001;O=CC12CCC(CO)(C1)O2;DWJIYOXZFFSOGA-UHFFFAOYSA-N;142.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347002;MM347002;COC(=CNC(N)=O)CN;YCYWZKSEBFDQRI-UHFFFAOYSA-N;145.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347003;MM347003;N#CC12CCC(CO)(C1)O2;UDRLKMPHWXIYQO-UHFFFAOYSA-N;139.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347004;MM347004;COC(=CNC(N)=O)CO;AIIHBQURUQTVRE-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347005;MM347005;C=CC12CCC(CF)(C1)O2;UQAXDHAPLLBXTC-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347006;MM347006;C=C(C)OC=C(CC)CC;WVDGERIZHIBNRM-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347007;MM347007;O=CC12CCC(CF)(C1)O2;LKMCYAVZHXOAQN-UHFFFAOYSA-N;144.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347008;MM347008;C=C(C)OC=C(CC)CO;LOLQHMVYFQQBCL-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347009;MM347009;N#CC12CCC(CF)(C1)O2;POSMSJRRRDCLHS-UHFFFAOYSA-N;141.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347010;MM347010;C=C(C)OC=C(CC)CF;VYDQKFVDFDHFNQ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347011;MM347011;C#CC12CCC(CC)(C1)C2;OGRZNQGUVCUEOO-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347012;MM347012;C=C(C)OC=C(CO)CO;XWQDZGCUZWOTEU-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347013;MM347013;C#CC12CCC(CN)(C1)C2;GIDQCMIJHMQBMB-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347014;MM347014;C=C(C)OC=C(CO)CF;KKNMTFYVEVTCLC-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347015;MM347015;N#CC1NC1CCC=O;POHQKSHRUKCIQN-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347016;MM347016;CCC(=COC(C)=O)CC;YARAPVXOCFMQCO-UHFFFAOYSA-N;142.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347017;MM347017;C#CC12CCC(CF)(C1)C2;SLJJKXROXYRUHG-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347018;MM347018;CCC(=COC(C)=O)CO;CSQVHWCZWHFQIE-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347019;MM347019;C#CC12CCC(NC)(C1)C2;CEYMDJMJDQWHMA-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347020;MM347020;CCC(=COC(C)=O)CF;SKJICQPQJIPBQZ-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347021;MM347021;C#CC12CCC(OC)(C1)C2;JLRMOMVXIWXXTF-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347022;MM347022;CC(=O)OC=C(CN)CN;OKQLHDDZTPDNCI-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347023;MM347023;C#CC12CC(CC)(CN1)C2;NSZJLLBTRMTGIS-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347024;MM347024;CC(=O)OC=C(CO)CF;WFPFZOSPOASCIP-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347025;MM347025;C#CC12CC(CN)(CN1)C2;JKADTSLVZNIJCN-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347026;MM347026;CC(=O)OC=C(CF)CF;FHUGDPRPHDMVBU-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347027;MM347027;C#CC12CC(CO)(CN1)C2;SAOMQZFCAYPYNH-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347028;MM347028;C=C(C)OC=C(CC)OC;BXXCJRFFPYNVSA-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347029;MM347029;C#CC12CC(CF)(CN1)C2;SFXVQEIQSZKDQN-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347030;MM347030;C=C(C)OC=C(CF)OC;FJSCZJNZKVGYTP-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347031;MM347031;C#CC12CC(NC)(CN1)C2;HPIVAAIBNOCTKV-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347032;MM347032;CCC(=COC(C)=O)OC;IJCRGRVEAAZYMP-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347033;MM347033;C#CC12CC(OC)(CN1)C2;AVRQHKRBWQADHD-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347034;MM347034;COC(=COC(C)=O)CN;COTQXJRCTOLTJE-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347035;MM347035;C#CC12CC(CC)(CO1)C2;GWQJJTINNHRCIB-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347036;MM347036;C=C(C)CN=C(NC)NC;BNSWIIAPRBERAP-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347037;MM347037;C#CC12CC(CN)(CO1)C2;BDRZZLUQKDOTID-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347038;MM347038;C=C(C)CN=C(NC)NN;QYEOVAQXCIFDSM-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347039;MM347039;C#CC12CC(CO)(CO1)C2;IRGYYBCHRDSXBC-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347040;MM347040;CNC(=NCC(=N)N)NC;UARWPFFYCPENHU-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347041;MM347041;C#CC12CC(CF)(CO1)C2;GNTFXOCAFBRRPG-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347042;MM347042;CNC(=NCC(=N)N)NN;IVNSEXLSUKWGRL-UHFFFAOYSA-N;144.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347043;MM347043;C#CC12CC(NC)(CO1)C2;OQKPHPZDJFJCSK-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347044;MM347044;CNC(=NCC(=N)N)NO;JMVNEFRMXJZITQ-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347045;MM347045;C#CC12CC(OC)(CO1)C2;XKDVJIWZZMIAPM-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347046;MM347046;N=C(N)CN=C(NN)NN;BGQVHZOWKWIYCD-UHFFFAOYSA-N;145.17;-2.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347047;MM347047;C#CC12CNC(CC)(C1)C2;RVMCHRKWQLYXRU-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347048;MM347048;N=C(N)CN=C(NN)NO;XRUOXOAIFZHYBW-UHFFFAOYSA-N;146.15;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347049;MM347049;C#CC12CNC(CN)(C1)C2;XOGKMQWVYYXYIH-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347050;MM347050;N=C(N)CN=C(NO)NO;DKCVTROIPMICRW-UHFFFAOYSA-N;147.14;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347051;MM347051;C#CC12CNC(CO)(C1)C2;WSYNUKVQLAOAOD-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347052;MM347052;CNC(=NCC(N)=O)NC;WRYDAHMHPQWKIB-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347053;MM347053;C#CC12COC(CC)(C1)C2;GLZDBSYEYJXWHI-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347054;MM347054;CNC(=NCC(N)=O)NN;JCMLODJDTOWDNB-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347055;MM347055;C#CC12COC(CN)(C1)C2;KXGGRPFYBUNIRL-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347056;MM347056;CNC(=NCC(N)=O)NO;FSOQDLBAIZSFOF-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347057;MM347057;C#CC12COC(CO)(C1)C2;AZHXRXDCCFAKPT-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347058;MM347058;NNC(=NCC(N)=O)NN;CTKSUXPWMUNRAY-UHFFFAOYSA-N;146.15;-3.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347059;MM347059;C#CC12COC(CF)(C1)C2;VAGUSKDOTJVFCO-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347060;MM347060;NNC(=NCC(N)=O)NO;VJTVXHVJCDRFCP-UHFFFAOYSA-N;147.14;-2.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347061;MM347061;C#CC12COC(OC)(C1)C2;ULEBHLLBFADETR-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347062;MM347062;C=C(F)CN=C(NN)NN;PARGDBAHOCCHBZ-UHFFFAOYSA-N;147.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347063;MM347063;C#CC12CCC(CC)(C1)N2;YXGSEAGBCUTIQM-UHFFFAOYSA-N;135.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347064;MM347064;C=C(F)CN=C(NN)NO;VWLZRXGWGQUUMS-UHFFFAOYSA-N;148.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347065;MM347065;C#CC12CCC(CN)(C1)N2;YHGSURSRENQDLU-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347066;MM347066;CNC(=NCC(=N)N)OC;XEUCFDOQECSRBV-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347067;MM347067;C#CC12CCC(CO)(C1)N2;RGIWSBBQSDTBBT-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347068;MM347068;COC(=NCC(=N)N)NN;GTTUVCZYQOZRSZ-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347069;MM347069;C#CC12CCC(CC)(C1)O2;NIMIVNSXKBDJGO-UHFFFAOYSA-N;136.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347070;MM347070;COC(=NCC(=N)N)NO;DKZCDRUSBFGZTA-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347071;MM347071;C#CC12CCC(CN)(C1)O2;QATMXJKCNGHBGS-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347072;MM347072;CC(C)C1CC1CO;VWGGMTJTUQQFDN-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347073;MM347073;C#CC12CCC(CO)(C1)O2;KDSHWOQFGYUDAB-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347074;MM347074;N#CCNCCC=O;QEWGPUZCHVZRCT-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347075;MM347075;C#CC12CCC(CF)(C1)O2;BETMLGWGVXASEY-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347076;MM347076;O=C(O)COCC#CCF;UMDVNLKQXVLCCD-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347077;MM347077;C=CC12CCC(C=C)(C1)C2;PXDXLIKRVCZRGK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347078;MM347078;O=CCOCC(=O)O;DNQIKJLNGVXFBP-UHFFFAOYSA-N;118.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347079;MM347079;C=CC12CCC(C=O)(C1)C2;VZVFLMMRTBRTIS-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347080;MM347080;CC=C1CC=CC1O;BWBKMKZIJFBQEI-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347081;MM347081;C=CC12CCC(C#N)(C1)C2;WMWZIOAVLFDROX-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347082;MM347082;OCC1CC1C1CC1;QENGFKJBIVRULH-UHFFFAOYSA-N;112.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347083;MM347083;O=CC12CCC(C=O)(C1)C2;VOWWIVDILNDATB-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347084;MM347084;CCC(CC)=NNC(C)=O;SEQYSLOVCHDECQ-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347085;MM347085;N#CC12CCC(C#N)(C1)C2;RUGCOLBEPZGVJK-UHFFFAOYSA-N;132.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347086;MM347086;CCC(CN)=NNC(C)=O;YAAVHUSCVPWEDZ-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347087;MM347087;C=CC12CNC(C=C)(C1)C2;PWGZRLUEHQPNRZ-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347088;MM347088;CCC(CO)=NNC(C)=O;FAKYPVCIWYARRV-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347089;MM347089;C=CC12CNC(C=O)(C1)C2;BWOMOYXKOQAHIZ-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347090;MM347090;CC(=O)NN=C(CO)CO;GVJGJKHJTYWPRE-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347091;MM347091;C=CC12CNC(C#N)(C1)C2;QJPXPOIEGUPNQV-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347092;MM347092;CC(=O)NN=C(CO)CF;AYGQRTORLLFMFK-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347093;MM347093;C=CC12CC(C=O)(CN1)C2;VQUWTTMKULPVHJ-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347094;MM347094;CCC(CC)=NNC(=N)N;BIHMKVLPXLLKMX-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347095;MM347095;O=CC12CNC(C=O)(C1)C2;LLJRFBBPLNHOIY-UHFFFAOYSA-N;139.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347096;MM347096;CCC(CN)=NNC(=N)N;FUGJGMYICLRVQA-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347097;MM347097;N#CC12CC(C=O)(CN1)C2;SUJFIJOUEJENRZ-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347098;MM347098;CCC(CO)=NNC(=N)N;LOXFMHJXCVZKAN-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347099;MM347099;C=CC12COC(C=C)(C1)C2;WALYTKDPRKPKAR-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347100;MM347100;N=C(N)NN=C(CN)CO;VVODQZYGKKJYOL-UHFFFAOYSA-N;145.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347101;MM347101;C=CC12COC(C=O)(C1)C2;KLCMWCDXHZKXNB-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347102;MM347102;N=C(N)NN=C(CO)CF;JOCRXHDFGSMFLK-UHFFFAOYSA-N;148.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347103;MM347103;C=CC12COC(C#N)(C1)C2;DXKSXTSJYLSPOF-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347104;MM347104;N=C(N)NN=C(CF)CF;PCHXSOYGQXIFPO-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347105;MM347105;C=CC12CC(C=O)(CO1)C2;BUCYUPMLAVRZJI-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347106;MM347106;CCC(CC)=NNC(N)=O;ATROUMKMMZKREN-UHFFFAOYSA-N;143.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347107;MM347107;C=CC12CC(C#N)(CO1)C2;WKJITTXBLYURSC-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347108;MM347108;COC(CO)=NNC(C)=O;HNJQMPDDWOHCOV-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347109;MM347109;O=CC12COC(C=O)(C1)C2;KWJPGWPVKRDCNQ-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347110;MM347110;COC(CN)=NNC(=N)N;BAFXUMOHEJCANX-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347111;MM347111;N#CC12COC(C=O)(C1)C2;ZPFBMERRIUJIKJ-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347112;MM347112;CNC(=NNC(C)=N)NC;PUPHWJXGGWKQKC-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347113;MM347113;N#CC12CC(C=O)(CO1)C2;ZSASJIGRHBTFHV-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347114;MM347114;CNC(=NNC(C)=N)NN;IZOQTAGYJCOEID-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347115;MM347115;N#CC12COC(C#N)(C1)C2;VDYYMYDVMJCXOA-UHFFFAOYSA-N;134.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347116;MM347116;CNC(=NNC(C)=N)NO;XNLVJOCYFJRUGW-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347117;MM347117;C=CC12CCC(C=C)(C1)N2;FKLQYFGORVVXPJ-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347118;MM347118;CC(=N)NN=C(NN)NN;HXEIFMZHDRHFCD-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347119;MM347119;C=CC12CCC(C#N)(C1)N2;DXHQLGXRTBNFHB-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347120;MM347120;C=C(C=C(C)C)CCO;YAJFSZGBPFKQTG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347121;MM347121;N#CC12CCC(C=O)(C1)N2;SWPSCSXWLJHVEV-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347122;MM347122;CNC(=NNC(C)=O)NO;UMNAUTWZLQMKRB-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347123;MM347123;N#CC12CCC(C#N)(C1)N2;SKTKEAHAPPFJCH-UHFFFAOYSA-N;133.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347124;MM347124;CC(=O)NN=C(NN)NN;GBNJMAYXYXBJBI-UHFFFAOYSA-N;146.15;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347125;MM347125;C=CC12CCC(C=C)(C1)O2;MCOQHXMUBMFPRX-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347126;MM347126;CC(=O)NN=C(NN)NO;RHALMRSOQFDWQG-UHFFFAOYSA-N;147.14;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347127;MM347127;C=CC12CCC(C=O)(C1)O2;ZQBYDTGVPXOZID-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347128;MM347128;CC(=O)NN=C(NO)NO;UVKBBIPWDDXCQY-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347129;MM347129;C=CC12CCC(C#N)(C1)O2;YXGRUCWBEAFKKN-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347130;MM347130;COC(=NNC(C)=O)OC;JGUFLKFFZYZXLR-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347131;MM347131;O=CC12CCC(C=O)(C1)O2;HOKZRAAVTRTLPD-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347132;MM347132;CCC(CC)=NOC(C)=O;JYRKWXQBMIICBI-UHFFFAOYSA-N;143.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347133;MM347133;N#CC12CCC(C=O)(C1)O2;NBQCVQJAUPLXSL-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347134;MM347134;CC(=O)ON=C(CO)CO;GSAQHRJPAKWRDV-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347135;MM347135;N#CC12CCC(C#N)(C1)O2;WVMZKBVRONSTGT-UHFFFAOYSA-N;134.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347136;MM347136;CC(=O)ON=C(CO)CF;CTSYIKRCBXTGNA-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347137;MM347137;C#CC12CCC(C=C)(C1)C2;XKTNDZRJRAMSPH-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347138;MM347138;NC(=O)ON=C(CO)CO;NDWZCUSKPRUSBZ-UHFFFAOYSA-N;148.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347139;MM347139;C#CC12CCC(C#N)(C1)C2;AEEPMQGBBBIDGM-UHFFFAOYSA-N;131.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347140;MM347140;C#CCC(O)CC#CC;MZEHEAGYYHLFLO-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347141;MM347141;C#CC12CC(C=C)(CN1)C2;PLQLLCVZRXBMKJ-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347142;MM347142;C#CC=CC(=C)CCO;YSDWKMLPXVENMN-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347143;MM347143;C#CC12CC(C=O)(CN1)C2;KXZBBLHYBHJRJH-UHFFFAOYSA-N;135.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347144;MM347144;CC(=O)ON=C(NO)NO;JBMWJIJLHZRCHN-UHFFFAOYSA-N;149.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347145;MM347145;C#CC12CC(C=C)(CO1)C2;GKKIRPFEUSQSHW-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347146;MM347146;CC(C#N)NCCC=O;CIGNOKSDFZBIHP-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347147;MM347147;C#CC12CC(C=O)(CO1)C2;DEKGQHIFVBIZBF-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347148;MM347148;CN1CC(=N)N(C)C1=O;HSGJWDKNQOLPLE-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347149;MM347149;C#CC12CC(C#N)(CO1)C2;GMFIQHJFPQHWAV-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347150;MM347150;C#CC1=CC(O)CC1=C;SKNBIQFOTPZWTE-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347151;MM347151;C#CC12COC(C=C)(C1)C2;PWGVOOQCKURWRA-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347152;MM347152;N=Cn1cnc(N)c1F;IYGNZBLIYWRERC-UHFFFAOYSA-N;128.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347153;MM347153;C#CC12COC(C#N)(C1)C2;VWDMITWPJYWDCK-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347154;MM347154;C=CC(=CCC(=C)C)CC;KYIKBOIFGYBQRR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347155;MM347155;C#CC12CCC(C=C)(C1)N2;BBYUDPVSJOLMAH-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347156;MM347156;C=C(C)CC=C(C=O)CC;ZWVCBSDLFKTSHV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347157;MM347157;C#CC12CCC(C#N)(C1)N2;HKFDXIRCZMEDBV-UHFFFAOYSA-N;132.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347158;MM347158;C=C(C)CC=C(C#N)CC;HRBGLEIQSVTOJF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347159;MM347159;C#CC12CCC(C=C)(C1)O2;PYZZJPUKWSBSOB-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347160;MM347160;C=CC(=CCC(=C)C)CN;MTEVKISHPQILMU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347161;MM347161;C#CC12CCC(C=O)(C1)O2;WGPVJHCUMKRMJY-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347162;MM347162;CCC(C)C1CC1CO;KTQHXQPGBYBISW-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347163;MM347163;C#CC12CCC(C#N)(C1)O2;SVFITYZUIPMQLM-UHFFFAOYSA-N;133.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347164;MM347164;C=C(C)CC=C(C#N)CO;YIHLLFAQZGCQRT-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347165;MM347165;C#CC12CCC(C#C)(C1)C2;RNHBKTQPGGUGAD-UHFFFAOYSA-N;130.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347166;MM347166;C=C(C)CC=C(C=O)CF;YRMJATQCAIIWJF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347167;MM347167;C#CC12COC(C#C)(C1)C2;WDVPRFVSWIYDAV-UHFFFAOYSA-N;132.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347168;MM347168;C=CC(=CCC(C)=O)CC;BREOTYCFPSZPBS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347169;MM347169;C#CC12CCC(C#C)(C1)O2;YDPKFIXJSWTTQF-UHFFFAOYSA-N;132.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347170;MM347170;CCC(C#N)=CCC(C)=O;LZTVIYJHKQYKLK-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347171;MM347171;CCC12C=CC(CC)(C1)C2;MMEHFKZKVUUNRY-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347172;MM347172;CC(=O)CC=C(C#N)CO;DGMCDYYGSIUVSD-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347173;MM347173;CCC12C=CC(CN)(C1)C2;CCWXZZCBUGSKJK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347174;MM347174;C=CC(=CCC(=N)N)CC;YFOWGESKHIKCEP-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347175;MM347175;OCC1CC1CC=CF;GUPPZODNZHLYDZ-UHFFFAOYSA-N;130.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347176;MM347176;C=CC(=CCC(=N)N)CO;AJDXSCJDOCDKKV-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347177;MM347177;CCC12C=CC(CF)(C1)C2;KJFTXWMJRMABMP-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347178;MM347178;N#CC(=CCC(=N)N)CO;LDFYBDWUVVTUET-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347179;MM347179;NCC12C=CC(CN)(C1)C2;DDOPNRYYJLZTIZ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347180;MM347180;CC1CC1C1CC1CO;DLJJWKTXIFLUMX-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347181;MM347181;NCC12C=CC(CO)(C1)C2;IGFPQCPQGIIKLA-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347182;MM347182;CCC(C#N)=CCC(N)=O;PLBJDHDXJXSZJD-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347183;MM347183;NCC12C=CC(CF)(C1)C2;VVHYLRNBYOSAPX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347184;MM347184;CCCC(C)(C)CC(N)=O;RHQMKOHWECETJG-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347185;MM347185;NN=CCC1CC1CO;BGRSEOYZYLITRW-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347186;MM347186;NC(=O)CC=C(C=O)CF;MKNGZYSBEOXYSN-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347187;MM347187;C=NNC(C)(C)CCC=O;BDJYFLVXSRZKDJ-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347188;MM347188;CCC(C#N)=CCC(=O)O;VVBBIJYJBXZADS-UHFFFAOYSA-N;139.15;1.32;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347189;MM347189;FCC12C=CC(CF)(C1)C2;VYSRIHDLGQIANT-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347190;MM347190;CC(=O)C(C#N)=NO;DOOHWQFPTDAXJS-UHFFFAOYSA-N;112.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347191;MM347191;CCC12C=CC(NC)(C1)C2;DJDAXKISXXHSLW-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347192;MM347192;C=C(F)CC=C(C#N)CC;KUSBZDDZRVIFNA-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347193;MM347193;CNC12C=CC(CN)(C1)C2;LLCFMOQDWWYIPV-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347194;MM347194;C=C(F)CC=C(C=O)CO;RAHRUZNRVSOJGH-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347195;MM347195;CNC12C=CC(CO)(C1)C2;QYUJRJNNDGRTFE-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347196;MM347196;C=C(F)CC=C(C#N)CO;IXISTFKVQOJALU-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347197;MM347197;CNC12C=CC(CF)(C1)C2;BEUYVRPLNQYSNW-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347198;MM347198;C=CC(=CCC(=C)C)OC;WTJFVSLKMSAACD-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347199;MM347199;CCC12C=CC(OC)(C1)C2;CNMLYKOJXLMSCQ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347200;MM347200;C=C(C)CC=C(C#N)OC;TVOOBGOVHFHMSJ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347201;MM347201;COC12C=CC(CN)(C1)C2;GBAYQUHTWPTHIX-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347202;MM347202;C=CC(=CCC(C)=O)OC;TUIORHQLAVSVSF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347203;MM347203;COC12C=CC(CO)(C1)C2;FRIWHGDOFLJEPN-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347204;MM347204;COC(C#N)=CCC(=N)N;BQLLULKVBXXDRO-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347205;MM347205;COC12C=CC(CF)(C1)C2;OOGAWVSHXGSZBB-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347206;MM347206;COC(C#N)=CCC(N)=O;QYVWZUBEACJLAM-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347207;MM347207;CNC12C=CC(NC)(C1)C2;CQMKRBCKHHWQSJ-UHFFFAOYSA-N;138.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347208;MM347208;CC(=O)N(C)C(=N)C(=O)O;OTWBJLIMBLPMKN-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347209;MM347209;CNC12C=CC(OC)(C1)C2;HYDYAQGGCLSGLJ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347210;MM347210;C=C(F)CC=C(C#N)OC;YXNQNWRYHOYXEX-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347211;MM347211;COC12C=CC(OC)(C1)C2;JHKDCMKBUBNJNW-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347212;MM347212;C=CC(=CNC(C)=N)CC;BBOXCEZNCTWECZ-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347213;MM347213;CCC12C=CC(CC)(C1)N2;ZLJCOFFXFLKRDY-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347214;MM347214;CCC(C#N)=CNC(C)=N;XSXUXCRMDJFANW-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347215;MM347215;CCC12C=CC(CN)(C1)N2;ILKCSTCQYLEGMI-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347216;MM347216;CC(=N)NC=C(C#N)CO;HJMWLSWOJVDGSB-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347217;MM347217;NCC12C=CC(CN)(C1)N2;SFIRHORGJZCICI-UHFFFAOYSA-N;139.2;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347218;MM347218;CCC(C#N)=CNC(C)=O;MNKUXNNXACRKLD-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347219;MM347219;NCC12C=CC(CO)(C1)N2;NMKGRTSDDJPBSA-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347220;MM347220;CC(=O)NC=C(C=O)CO;GAGPUOKXHXNACU-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347221;MM347221;NCC12C=CC(CF)(C1)N2;OEKCVJGLSJRSBL-UHFFFAOYSA-N;142.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347222;MM347222;CC(=O)NC=C(C#N)CO;APROOUJHPGBFPZ-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347223;MM347223;C=CC(=CNC(C)=O)CF;BGYLBVYGAKWRAQ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347224;MM347224;FCC12C=CC(CF)(C1)N2;BZDYBDHFTNOVKN-UHFFFAOYSA-N;145.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347225;MM347225;C=CC(=CNC(=N)N)CC;KIVAVQVAEKLKOY-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347226;MM347226;CCC12C=CC(CC)(C1)O2;BIFKTNCIWMQTOF-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347227;MM347227;CCC(C=O)=CNC(=N)N;QVCGBVOKGMUJAU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347228;MM347228;CCC12C=CC(CN)(C1)O2;ALPCTPLNIAUYTM-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347229;MM347229;C=CC(=CNC(=N)N)CN;CDOCNOMZEIQANO-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347230;MM347230;CCC12C=CC(CO)(C1)O2;YFOAKTFMHTZYKR-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347231;MM347231;C=CC(=CNC(=N)N)CO;QFVPCNPWOQMBOE-UHFFFAOYSA-N;141.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347232;MM347232;CCC12C=CC(CF)(C1)O2;GWPZZPHQDJHKQM-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347233;MM347233;N=C(N)NC=C(C=O)CO;ZJQLITIGDFSKNE-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347234;MM347234;NCC12C=CC(CN)(C1)O2;RLULTQQIDACVLK-UHFFFAOYSA-N;140.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347235;MM347235;N#CC(=CNC(=N)N)CF;XBVPXLZRGMNADL-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347236;MM347236;NCC12C=CC(CO)(C1)O2;JSUXNDBLLXOQEL-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347237;MM347237;C=CC(=CNC(N)=O)CN;VUKKKJZWZCJNRT-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347238;MM347238;NCC12C=CC(CF)(C1)O2;YBQDTQKUHGRNDR-UHFFFAOYSA-N;143.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347239;MM347239;NC(=O)NC=C(C=O)CO;BIZYAUDNJSFNQR-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347240;MM347240;OCC12C=CC(CO)(C1)O2;ZAPNWGVPGLSQHJ-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347241;MM347241;C=CC(=CNC(N)=O)CF;PVBDLVCKMAKUTR-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347242;MM347242;OCC12C=CC(CF)(C1)O2;GUURJABAVULLDP-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347243;MM347243;C=CC(=CNC(C)=N)OC;GNUYENAIZBPYPB-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347244;MM347244;FCC12C=CC(CF)(C1)O2;GKRXOUZUUNMOLV-UHFFFAOYSA-N;146.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347245;MM347245;COC(C=O)=CN=C(C)N;GTLNWPLXBSAVQT-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347246;MM347246;C=CC12C=CC(CC)(C1)C2;CSEYLDBBUNBCBZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347247;MM347247;COC(C=O)=CNC(=N)N;GPOBYTYLOYHIEQ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347248;MM347248;CCC12C=CC(C=O)(C1)C2;BOEKWSKXUMXQRB-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347249;MM347249;COC(C=O)=CNC(N)=O;MKIBSTNQOHCBRA-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347250;MM347250;CCC12C=CC(C#N)(C1)C2;GKUGHKPWLZKSDM-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347251;MM347251;C=CC(=COC(=C)C)CC;VJLXOPXBOSUVQW-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347252;MM347252;C=CC12C=CC(CN)(C1)C2;NCNTYYQVDBZLCD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347253;MM347253;C=C(C)OC=C(C=O)CC;SJGQAGHTTBDMFN-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347254;MM347254;CCCC#CC(C)(C)CO;IUZQMTZCEUNMLA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347255;MM347255;C=C(C)OC=C(C#N)CC;LDMMNGRFFGUMGY-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347256;MM347256;CC(O)C(C)C#CC(F)F;RNIJXXUJPBTCDU-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347257;MM347257;C=CC(=COC(=C)C)CN;XHKLOIQTCPVYGD-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347258;MM347258;CC(C)=NN=CC(C)C=O;VKTMSJRKIAESPV-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347259;MM347259;C=CC(=COC(=C)C)CO;MKQWZTJYVOIQAU-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347260;MM347260;C=CC12C=CC(CF)(C1)C2;CZVNIHQDELDMNL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347261;MM347261;C=CC(=COC(=C)C)CF;WDVANLHQADDINI-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347262;MM347262;O=CC12C=CC(CF)(C1)C2;RDZJMWOYSAFLNI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347263;MM347263;C=C(C)OC=C(C=O)CF;KTUHDZGQOSFNAJ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347264;MM347264;N#CC12C=CC(CF)(C1)C2;VFWURAVBJGJSLR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347265;MM347265;C=C(C)OC=C(C#N)CF;IINDLLTZUWDRMD-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347266;MM347266;C=CC12C=CC(NC)(C1)C2;YWLMQFQCZIROSD-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347267;MM347267;C=CC(=COC(C)=O)CC;XKMVJWBEOYJVTN-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347268;MM347268;CNC12C=CC(C=O)(C1)C2;YUIFRNWSPMTDKV-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347269;MM347269;CCC(C#N)=COC(C)=O;XPHRREMGUNQZQH-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347270;MM347270;CNC12C=CC(C#N)(C1)C2;YCVHSCKQVQMXSS-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347271;MM347271;C=CC(=COC(C)=O)CF;FELGIEGCEBVXGD-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347272;MM347272;C=CC12C=CC(OC)(C1)C2;JWCNKWCQSYDIQF-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347273;MM347273;COC12C=CC(C=O)(C1)C2;CPLYNDXJZXTGRH-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347274;MM347274;C=CC(=COC(=C)C)OC;KBUXISRYCQWYLB-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347275;MM347275;COC12C=CC(C#N)(C1)C2;YZPONHOXUJVLDJ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347276;MM347276;C=C(C)OC=C(C=O)OC;GKCVAHZHMCMDAT-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347277;MM347277;CCC12C=CC(C#N)(C1)N2;DMFZEZKFZZKNEN-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347278;MM347278;C=C(C)OC=C(C#N)OC;RIAQABKPALIICU-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347279;MM347279;C=CC12C=CC(CN)(C1)N2;PBRSZXJJAVYQJZ-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347280;MM347280;C=CC(=COC(C)=O)OC;PRXFADKNGTZXIM-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347281;MM347281;CC(CC=O)NN(C)C=O;CWSRCADFPBCALN-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347282;MM347282;COC(C#N)=COC(C)=O;ZGLIOBRMRVBCBQ-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347283;MM347283;C=CC1=CC(O)(C=C)C=C1;FLMKZHOFWSWXEI-UHFFFAOYSA-N;134.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347284;MM347284;CCC(C=O)=NNC(C)=O;QGENDLUHQVNWQQ-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347285;MM347285;O=CC12C=CC(CF)(C1)N2;OCGBPSLWVMVFGO-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347286;MM347286;CC(=O)NN=C(C#N)CF;PDGPCNLAOCYEIM-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347287;MM347287;N#CC12C=CC(CF)(C1)N2;WCRRYDOYWBZRIH-UHFFFAOYSA-N;138.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347288;MM347288;C=CC(CC)=NNC(=N)N;ZBFOXBSYOOHCCE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347289;MM347289;C=CC12C=CC(CC)(C1)O2;CGGVZXTVVORRFR-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347290;MM347290;CCC(C=O)=NNC(=N)N;GLDZVCDCCBTOPN-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347291;MM347291;CCC12C=CC(C=O)(C1)O2;AIZYIJQJGFCBRD-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347292;MM347292;C=CC(CO)=NNC(=N)N;CLZFTLBFUALEHI-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347293;MM347293;CCC12C=CC(C#N)(C1)O2;HSXAJAPEDNKTGY-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347294;MM347294;C=CC(CC)=NNC(N)=O;BHDLBBZEFZIXEW-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347295;MM347295;C=CC(=NNC(C)=O)OC;RTUYXIPTIOQZRB-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347296;MM347296;C=CC12C=CC(CN)(C1)O2;RXAQZQDWEIGKPE-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347297;MM347297;CCC(C=O)=NOC(C)=O;RMCGDTIWUAUDFJ-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347298;MM347298;C=CC12C=CC(CO)(C1)O2;HHKSJRAISCQODU-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347299;MM347299;CC(C)C(C)(C)CC(N)=O;IJSJPKNGOQKFPR-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347300;MM347300;O=CC12C=CC(CO)(C1)O2;BQKKJHKZUOVHTD-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347301;MM347301;NC(=O)ON=C(C=O)CO;AZMKKLWXGIWJGV-UHFFFAOYSA-N;146.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347302;MM347302;N#CC12C=CC(CO)(C1)O2;DKCNWKMEPICIGJ-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347303;MM347303;C=CC(=NOC(C)=O)OC;LKDGVPLJSBIBOU-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347304;MM347304;C=CC12C=CC(CF)(C1)O2;RVSZRXWQTWDUNQ-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347305;MM347305;COC(C=O)=NOC(C)=O;IEUCXXWMSFBAFW-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347306;MM347306;O=CC12C=CC(CF)(C1)O2;NKXKNZVMOXRBPC-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347307;MM347307;C=CC(=NOC(N)=O)OC;ZZGMVNNLVVMXRS-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347308;MM347308;N#CC12C=CC(CF)(C1)O2;LTOBRLUYZAAAPI-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347309;MM347309;C#CC(=CCC(=C)C)CC;WHAKLLKRRPAHTI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347310;MM347310;C#CC12C=CC(CC)(C1)C2;ZIFYKWMUSBTFGS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347311;MM347311;C#CC(=CCC(=C)C)CN;MNAZBKPDUYVDQV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347312;MM347312;C#CC12C=CC(CN)(C1)C2;FRRVGPROXWJTLR-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347313;MM347313;C#CC(=CCC(=C)C)CF;VTDMCBGHIXJYBI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347314;MM347314;C=CC(CO)CC(C)C#N;ZQKGSMSVBJHBQH-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347315;MM347315;C#CC(=CCC(C)=O)CC;NVLQDRVOVZKVHW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347316;MM347316;C#CC12C=CC(CF)(C1)C2;VGRNLTBZZXDBIF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347317;MM347317;C#CC(=CCC(C)=O)CF;VLGBVIQVTNVNQJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347318;MM347318;C#CC12C=CC(NC)(C1)C2;RSMLRIKECWLDAC-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347319;MM347319;C#CC(=CCC(=N)N)CC;JZIZWXUSSJXNRL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347320;MM347320;C#CC12C=CC(OC)(C1)C2;DQCLQTJGQJUGLO-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347321;MM347321;C#CC(=CCC(N)=O)CC;VGBCUBTVBUXCQQ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347322;MM347322;C#CC12C=CC(CN)(C1)N2;PTFGXLPWQLFOLK-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347323;MM347323;C#CC(=CCC(=O)O)CC;GBQDHEXDAHTPMD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347324;MM347324;C#CC12C=CC(CF)(C1)N2;ZDAPBOWDWHXDIG-UHFFFAOYSA-N;137.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347325;MM347325;C#CC(=CCC(=C)F)CC;JKNPUDBIKOGWME-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347326;MM347326;C#CC12C=CC(CC)(C1)O2;HBEXVUFXJTWGHG-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347327;MM347327;C#CC(=CCC(C)=O)OC;GLDNQCCVVWFRJU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347328;MM347328;C#CC12C=CC(CN)(C1)O2;SOOAOYVPMPOBBC-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347329;MM347329;C#CC(=CCC(=N)N)OC;GNXPGCZMIXYRJQ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347330;MM347330;C#CC12C=CC(CO)(C1)O2;GJYNYCQUFSGABW-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347331;MM347331;C#CC(=CNC(C)=N)CC;SZMBBPDHGWICPA-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347332;MM347332;C#CC12C=CC(CF)(C1)O2;VQYWZARBSNBFPK-UHFFFAOYSA-N;138.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347333;MM347333;C#CC(=CNC(=N)N)CC;UZUMYYLCPWSADE-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347334;MM347334;C=CC12C=CC(C=C)(C1)C2;PHAMPHOESJEIGH-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347335;MM347335;C#CC(=CNC(=N)N)CN;LMPFYSZHOFJOFI-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347336;MM347336;C=CC12C=CC(C=O)(C1)C2;BCJZTJPDSIJHIA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347337;MM347337;C#CC(=CNC(=N)N)CO;SQPZUAGBCZNJBG-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347338;MM347338;C=CC12C=CC(C#N)(C1)C2;HMMCTTFJWFITMD-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347339;MM347339;C#CC(=CNC(N)=O)CN;IEFHRSXBKVDZFJ-UHFFFAOYSA-N;139.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347340;MM347340;O=CC12C=CC(C=O)(C1)C2;UUBSGRFYZRNCMG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347341;MM347341;C#CC(=CNC(N)=O)CO;IYOXTRWSXPZZCZ-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347342;MM347342;N#CC12C=CC(C=O)(C1)C2;HJXATEFLNOCPOE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347343;MM347343;C#CC(=COC(=C)C)CC;SNUMQFACYRNWMS-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347344;MM347344;N#CC12C=CC(C#N)(C1)C2;BFFCBVSBERQQDV-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347345;MM347345;C#CC(=COC(=C)C)CN;ZZZNQHNALHSYGS-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347346;MM347346;C=CC12C=CC(C=O)(C1)N2;GPNDZRSQZPHTLZ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347347;MM347347;C#CC(=COC(=C)C)CO;QFUKHNMKRCTVTM-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347348;MM347348;C=CC12C=CC(C#N)(C1)N2;BNNZGDDNWTYOAK-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347349;MM347349;C#CC(=COC(=C)C)CF;FCXWFQBTBKRFOI-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347350;MM347350;O=CC12C=CC(C=O)(C1)N2;PEHXVEVHWRCDJB-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347351;MM347351;C#CC(=COC(C)=O)CC;CGVVYMXGVGQEBA-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347352;MM347352;N#CC12C=CC(C=O)(C1)N2;GFVYIQLCTTVIJZ-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347353;MM347353;C#CC(=COC(C)=O)CF;NOQVSOLMRPLAGE-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347354;MM347354;N#CC12C=CC(C#N)(C1)N2;IYTOXVYIWPETNG-UHFFFAOYSA-N;131.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347355;MM347355;C#CC(=COC(=C)C)OC;IHUCEIXUWFWPHC-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347356;MM347356;C=CC12C=CC(C=C)(C1)O2;YAWTZEUVHGVTDF-UHFFFAOYSA-N;134.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347357;MM347357;C#CC(=COC(C)=O)OC;AZSJOGPPWIXOIQ-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347358;MM347358;C=CC12C=CC(C=O)(C1)O2;FFMAOSFBTDBVGY-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347359;MM347359;C#CC(CC)=NNC(=N)N;HSVKNVSYJUERLR-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347360;MM347360;C=CC12C=CC(C#N)(C1)O2;GLYAMHOFPJOFEZ-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347361;MM347361;C#CC(CN)=NNC(=N)N;WZTAMDOIUKAVOT-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347362;MM347362;O=CC12C=CC(C=O)(C1)O2;WFVHUNSIVZKMMC-UHFFFAOYSA-N;138.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347363;MM347363;C#CC(CO)=NNC(=N)N;TWUBYYVQXPQYPR-UHFFFAOYSA-N;140.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347364;MM347364;N#CC12C=CC(C=O)(C1)O2;DJAKWWSAUBAXLD-UHFFFAOYSA-N;135.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347365;MM347365;C#CC(CC)=NNC(N)=O;UUABALMTDFBYFK-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347366;MM347366;N#CC12C=CC(C#N)(C1)O2;UDMFPGKHJGORAL-UHFFFAOYSA-N;132.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347367;MM347367;C#CC(CO)=NOC(N)=O;QSFYTEPVQSCGPL-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347368;MM347368;C#CC12C=CC(C=C)(C1)C2;NXZQLDKHTZUXIY-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347369;MM347369;C#CC(=NOC(C)=O)OC;ZUDOEZUVIPZGPI-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347370;MM347370;C#CC12C=CC(C=O)(C1)C2;YLTHTTBSGACNJC-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347371;MM347371;C=CC(C=C)=CCC(=C)C;OZJOGAHPDNVGCL-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347372;MM347372;C#CC12C=CC(C#N)(C1)C2;RCWPAUYVMSGJSZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347373;MM347373;C=CC(C=O)=CCC(=C)C;BROYIEWXPRWBHG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347374;MM347374;C#CC12C=CC(C=O)(C1)N2;UOBJUVHYNOHCAP-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347375;MM347375;C=CC(C#N)=CCC(=C)C;VUHCUWZCPKIGGK-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347376;MM347376;C#CC12C=CC(C#N)(C1)N2;GZPACXAIBCHJAS-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347377;MM347377;C=CC(C#N)=CCC(C)=O;ZKLPCOOYLRGMAS-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347378;MM347378;CC(=O)CC=C(C=O)C=O;JICPHAXJWPNDLP-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347379;MM347379;C#CC12C=CC(C=C)(C1)O2;SZYRQAZSHUQROG-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347381;MM347381;C#CC12C=CC(C=O)(C1)O2;AULRNJOZCDQBJX-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347380;MM347380;CC(=O)CC=C(C#N)C#N;SIQVWYRGFVGUPR-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347382;MM347382;C=CC(C=C)=CCC(=N)N;HRGQGHBBADRYSR-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347383;MM347383;C#CC12C=CC(C#N)(C1)O2;KDFDZHBMDJCDHR-UHFFFAOYSA-N;131.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347384;MM347384;C=CC(C=O)=CCC(=N)N;OJJVDLDWYSBCIS-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347385;MM347385;C#CC12C=CC(C#C)(C1)C2;KEAKCQNRYUQZKR-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347386;MM347386;NC(=O)CC=C(C=O)C=O;RWIUGFBZSBLFBZ-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347387;MM347387;C#CC12C=CC(C#C)(C1)N2;QOYUTXLEDVLZHM-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347388;MM347388;C=CC(C=C)=CCC(=O)O;QSGRFQFTAFNZSJ-UHFFFAOYSA-N;138.17;1.76;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C2";;;;;;;2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347389;MM347389;C#CC12C=CC(C#C)(C1)O2;FEVUKSNSLZIFGB-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347390;MM347390;COCC(F)(CO)C(=O)O;SXOLAAVCSCAXAJ-UHFFFAOYSA-N;152.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347391;MM347391;CCC12CCC(C)(C)C1C2;JWBXNWJCWUAACT-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347392;MM347392;N#CC(C#N)=CCC(=O)O;OREYYEPRNRJDOS-UHFFFAOYSA-N;136.11;0.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347393;MM347393;CC1(C)CCC2(CN)CC12;QYOUDPFMIGFJAS-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347394;MM347394;C=CC(C=C)=CCC(=C)F;KLQHCKTTXAZPAP-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347395;MM347395;C=CC(C#N)=CCC(C)O;SRYQXYHGVLHCNG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347396;MM347396;C=CC(C=O)=CCC(=C)F;HGXWDHCYGQXXNX-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347397;MM347397;CC1(C)CCC2(CF)CC12;FMEBOFNSXBVOCX-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347398;MM347398;C=CC(C#N)=CCC(=C)F;RERDUSXEKDMPHI-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347399;MM347399;CCC12CCC(C)(N)C1C2;UAIHHRSUYDHVJB-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347400;MM347400;C=CC(C=C)=CNC(C)=N;SKVCVMGZNXZVQE-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347401;MM347401;CC1(N)CCC2(CN)CC12;ZKNTXJXYQNUYIR-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347402;MM347402;C=CC(C#N)=CNC(C)=N;AWIVIRYLYIFMBU-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347403;MM347403;CC1(N)CCC2(CO)CC12;XGWKPVKKEVTLQT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347404;MM347404;CC(=N)NC=C(C=O)C=O;DFWOSBZROHYHBI-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347405;MM347405;CC1(N)CCC2(CF)CC12;DLQKYXYTHRTUQC-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347406;MM347406;CC(=N)NC=C(C#N)C=O;GYYIXQYAGIKUFE-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347407;MM347407;C#CC(=O)CON=CCC;KEQIAXDEHWQDHA-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347408;MM347408;CC(=N)NC=C(C#N)C#N;SMZITLGBXPWZFC-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347409;MM347409;CC1(O)CCC2(CN)CC12;VCOISUYGZLTOKJ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347410;MM347410;C=CC(C=C)=CNC(C)=O;RSQABXBOBAQLQP-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347411;MM347411;CC1(O)CCC2(CO)CC12;FEGISCZNLGGOTF-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347412;MM347412;C=CC(C#N)=CNC(C)=O;CPVNVDLKZUDMOO-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347413;MM347413;CC1(O)CCC2(CF)CC12;YTMQKPVHSLLQOO-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347414;MM347414;CC(=O)NC=C(C=O)C=O;XGJCINMNPYPHIJ-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347415;MM347415;CCC12CCC(C)(F)C1C2;DLPIIAGDOXLSQG-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347416;MM347416;C=CC(C=C)=CNC(=N)N;GJZOMEJKKLZZAI-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347417;MM347417;CC1(F)CCC2(CN)CC12;XFHBUTGBGCEPMT-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347418;MM347418;C=CC(C#N)=CNC(=N)N;FIXRVTKWKALYEH-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347419;MM347419;CC1(F)CCC2(CO)CC12;LJEJLELHIMDUHJ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347420;MM347420;N=C(N)NC=C(C=O)C=O;RLAVZCODDKVFQM-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347421;MM347421;CCC12CCC(F)(F)C1C2;PIECLVSKNDAKFG-UHFFFAOYSA-N;146.18;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347422;MM347422;N#CC(C=O)=CNC(=N)N;IPEBECABYXAJLX-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347423;MM347423;NCC12CCC(F)(F)C1C2;ORGKUWSDNWTVKN-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347424;MM347424;C=CC(C=C)=CNC(N)=O;ISKVPHOKMBHNST-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347425;MM347425;OCC12CCC(F)(F)C1C2;DUGSWHFOJSZNPP-UHFFFAOYSA-N;148.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347426;MM347426;N#CC(C=O)=CNC(N)=O;PPHSPBCZUZPVJY-UHFFFAOYSA-N;139.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347427;MM347427;CNC12CCC(C)(C)C1C2;VHZMKCXVXARZGZ-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347428;MM347428;C=CC(C=C)=COC(=C)C;ZMQFAMURHVEXGG-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347429;MM347429;CNC12CCC(C)(N)C1C2;DCEVDFSWOVAQHX-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347430;MM347430;C=CC(C=O)=COC(=C)C;JIYQIKJKRVNURB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347431;MM347431;CNC12CCC(C)(O)C1C2;GQZDYQPHEBHTNC-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347432;MM347432;C=CC(C#N)=COC(=C)C;UMWWCZYAVSRTCR-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347433;MM347433;CNC12CCC(C)(F)C1C2;DGQCAMPOKOUPGA-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347434;MM347434;C=C(C)OC=C(C=O)C=O;XXSKXVPGXLYHMH-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347435;MM347435;CNC12CCC(F)(F)C1C2;SCHWZJJWKUCRBV-UHFFFAOYSA-N;147.17;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347436;MM347436;C=C(C)OC=C(C#N)C#N;URLOATSIIHCZML-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347437;MM347437;COC12CCC(C)(C)C1C2;KSZHBEITLHTMMK-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347438;MM347438;C=CC(C=C)=COC(C)=O;DECPZHQBQCSUJY-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347439;MM347439;COC12CCC(C)(N)C1C2;FKQDGRNCSLQTCT-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347440;MM347440;C=CC(C#N)=COC(C)=O;PNRFTSSNXBOLAG-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347441;MM347441;COC12CCC(C)(O)C1C2;WNQFSKIEPBPOBN-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347442;MM347442;CC(=O)OC=C(C#N)C#N;QLSLSXPKVWRSHZ-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347443;MM347443;COC12CCC(C)(F)C1C2;QHMKQLVSOPKIFM-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347444;MM347444;C=CC(C=O)=NNC(C)=O;YMUFSUWVDSDCAQ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347445;MM347445;CCC12CNC(C)(C)C1C2;GNRJVSGDFHKWIS-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347446;MM347446;N=C(N)NN=C(C=O)C=O;HJAWHCFGUWOAPU-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347447;MM347447;CC1(C)NCC2(CN)CC21;RVSDYOCUSBTMHZ-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347448;MM347448;C=CC(C=C)=NNC(N)=O;GTFROIIYJCFRKM-UHFFFAOYSA-N;139.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347449;MM347449;CC1(C)NCC2(CO)CC21;AHSGWBPJBUREOW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347450;MM347450;CC(=O)ON=C(C#N)C=O;XMTKJKPESGKIFW-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347451;MM347451;CC1(C)NCC2(CF)CC21;ANNNODKJCPAWEU-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347452;MM347452;C=C(C)C#CC(C)(C)CO;ILRDBQMUHLKLBW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347453;MM347453;CNC12CNC(C)(C)C1C2;OHWSQOJDLYFPTN-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347454;MM347454;C#CC(C=C)=CCC(=C)C;GTOVEKMQEHHXRM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347455;MM347455;CCC12COC(C)(C)C1C2;JZBPGLLOVMPHQI-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347456;MM347456;C#CC(C=O)=CCC(=C)C;QCQHGYZHPFEJHD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347457;MM347457;CC1(C)OCC2(CN)CC21;XTWKSWNDZLDDSY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347458;MM347458;C#CC(C#N)=CCC(=C)C;JBCAFNCEMJJHOT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347459;MM347459;CC1(C)OCC2(CO)CC21;BJRWABFBMNZVFL-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347460;MM347460;C#CC(C=C)=CCC(C)=O;MOBJLLNGUVROCX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347461;MM347461;CNC12COC(C)(C)C1C2;ZMWQHAQZFODPIQ-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347462;MM347462;C#CC(C=O)=CCC(C)=O;DKMJJCHVXGIVMG-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347463;MM347463;CCC12CC1C(C)(C)CN2;DCATYPQZBRRNNP-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347464;MM347464;C#CC(C#N)=CCC(C)=O;ZFUPCBYJYZKRCS-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347465;MM347465;CC1(C)CNC2(CN)CC12;AZJFNPUCUNPYPP-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347466;MM347466;C#CC(C=O)=CCC(=N)N;POXITZUEDPGKHU-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347467;MM347467;CC1(C)CNC2(CO)CC12;DNMALHSIPGONNS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347468;MM347468;C#CC(C=C)=CCC(=O)O;DAIOGAYCNKCYBU-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347469;MM347469;CC1(N)CNC2(CN)CC12;KDGHIXYQZKWTMB-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347470;MM347470;C#CC(C#N)=CCC(=O)O;XWWKTDKGAQJJIA-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347471;MM347471;CC1(N)CNC2(CO)CC12;FGQXRDLJGMDEJQ-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347472;MM347472;C#CC(C=C)=CCC(=C)F;QDBCWACLXAPHGJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347473;MM347473;CCC12CC1C(C)(O)CN2;YLZLTLOVJOKQNR-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347474;MM347474;C#CC(C#N)=CNC(C)=N;BDLUYRCOGOEZNC-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347475;MM347475;CC1(O)CNC2(CN)CC12;WXRUBVTYUPSBCP-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347476;MM347476;C#CC(C=O)=CNC(C)=O;KUEGUMYGMFEUCF-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347477;MM347477;CC1(O)CNC2(CO)CC12;JZHKORWYJPMEGQ-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347478;MM347478;C#CC(C=O)=CNC(=N)N;NTRBGBLUSCRTFI-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347479;MM347479;CC1(O)CNC2(CF)CC12;HHCQBHDFKUSFAC-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347480;MM347480;CCC12CC1C(C)(F)CN2;RTIXPMBTECRNMO-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347481;MM347481;C#CC(C#N)=CNC(=N)N;LTBSQFJCDQWSTO-UHFFFAOYSA-N;134.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347482;MM347482;CC1(F)CNC2(CN)CC12;GVKSGIHUBADLJP-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347483;MM347483;C#CC(C=C)=CNC(N)=O;UIIQFIBMHIGTJO-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347484;MM347484;CC1(F)CNC2(CO)CC12;INKXRXTUWCARLZ-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347485;MM347485;C#CC(C=C)=COC(=C)C;PMEZALMHUVJGDK-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347486;MM347486;NCC12CC1C(F)(F)CN2;DCOLHXRQFXHBIY-UHFFFAOYSA-N;148.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347487;MM347487;C#CC(C=O)=COC(=C)C;HXKQBMJLYOZBSQ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347488;MM347488;FCC12CC1C(F)(F)CN2;IMWVLJCMMHWAQK-UHFFFAOYSA-N;151.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347489;MM347489;C#CC(C#N)=COC(=C)C;SDXLWVHDLDCBKI-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347490;MM347490;CCC12CC1C(C)(C)CO2;QYWSJZVUXXJOKJ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347491;MM347491;C#CC(C=C)=COC(C)=O;SZQYCHJYMBTAON-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347492;MM347492;CC1(C)COC2(CN)CC12;VQNNQWDBDJKDMU-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347493;MM347493;C#CC(C#N)=COC(C)=O;QJBGRPGUTQMZJS-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347494;MM347494;CC1(C)COC2(CO)CC12;LUBLFBPLHJPKJD-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347495;MM347495;C#CC(C=C)=NNC(=N)N;ZPKFRLSWKDYTCC-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347496;MM347496;CC1(C)COC2(CF)CC12;MAXGLJJAOYRNQE-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347497;MM347497;C#CC(C#N)=NOC(N)=O;VTCPWGJKUYXOGZ-UHFFFAOYSA-N;137.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347498;MM347498;CCC12CC1C(C)(N)CO2;WCHNJHDMBCXRRI-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347499;MM347499;C#CC(C#C)=CCC(=C)C;ULXRODCMJGEJQX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347500;MM347500;CC1(N)COC2(CN)CC12;QRWTVMRQCQOUBC-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347501;MM347501;C#CC(C#C)=CCC(C)=O;MCSIBPCUEJMFDF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347502;MM347502;CC1(N)COC2(CO)CC12;GKDMHPHBQDCHLS-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347503;MM347503;C#CC(C#C)=CCC(=N)N;UNZIWWWQBSFQLA-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347504;MM347504;CCC12CC1C(C)(O)CO2;AGSANBGMZNQHOZ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347505;MM347505;C#CC(C#C)=CCC(N)=O;QQIQOIHBUBSYNC-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347506;MM347506;CC1(O)COC2(CN)CC12;BWCMVCAEVPGEKV-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347507;MM347507;C#CC(C#C)=CCC(=C)F;GMTFFULGFXNTBG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347508;MM347508;CC1(O)COC2(CO)CC12;MXAHYSITVGCOSH-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347509;MM347509;C#CC(C#C)=CNC(C)=N;NDAVOENDSVWVAZ-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347510;MM347510;CCC12CC1C(C)(F)CO2;DWXXMSOQZZWLGH-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347511;MM347511;C#CC(C#C)=CNC(C)=O;SXQBXPOBHOVYIR-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347512;MM347512;CC1(F)COC2(CN)CC12;PEVKVVLAKTVCTG-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347513;MM347513;C#CC(C#C)=CNC(=N)N;LXUBLOITICSEEJ-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347514;MM347514;CCC12CC1C(F)(F)CO2;JXQWNXVLJRLXDB-UHFFFAOYSA-N;148.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347515;MM347515;C#CC(C#C)=COC(=C)C;XPRRYYPDSADPNZ-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347516;MM347516;NCC12CC1C(F)(F)CO2;LBNPWVZARPUAFB-UHFFFAOYSA-N;149.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347517;MM347517;C#CC(C#C)=COC(C)=O;YVNKUQZIVPJRQN-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347518;MM347518;OCC12CC1C(F)(F)CO2;FFSZGYJRVLAOJN-UHFFFAOYSA-N;150.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347519;MM347519;C#CC(C#C)=NNC(C)=O;HDWLMUPDIRXFJY-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347520;MM347520;COC12CC1C(C)(C)CO2;AGYJFQDADSVNKK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347521;MM347521;C#CC(C#C)=NOC(C)=O;KKJIYQZKALNRGF-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347522;MM347522;COC12CC1C(C)(N)CO2;JJVRMGUVELKAMH-UHFFFAOYSA-N;143.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347523;MM347523;CCC(=CC=C(C)C)CC;SRAFLBSRYVWZMK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347524;MM347524;COC12CC1C(C)(O)CO2;HIOJHQWYFXONNV-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347525;MM347525;CCC(=CC=C(C)C)CN;RWMDCTCPVSVOLM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347526;MM347526;COC12CC1C(C)(F)CO2;RFTGCBYLAVLIIB-UHFFFAOYSA-N;146.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347527;MM347527;CCC(C)(CC)CC(N)=O;IKBBMIZKMQNANP-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347528;MM347528;CC1(C)CCC2(CN)NC12;PWBCUSMRIVUQJP-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347529;MM347529;CCC(=CC=C(C)C)CF;MVIGCPALGXKWKC-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347530;MM347530;CC1(C)CCC2(CF)NC12;VSGMQUQYTVZQDX-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347531;MM347531;CC(C)=CC=C(CN)CN;UANVAEJBYGDQOK-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347532;MM347532;CCC12CCC(C)(N)C1N2;WWVIFFAIUUGART-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347533;MM347533;CC(C)=CC=C(CN)CF;FDLNBQHQYXHBLE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347534;MM347534;CC1(N)CCC2(CN)NC12;NWQMZRSIMOKBFU-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347535;MM347535;CC(C)=CC=C(CO)CO;WJOSJRRFMIJZHV-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347536;MM347536;CC1(N)CCC2(CO)NC12;AAOXGBYKJMRFIG-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347537;MM347537;CC(C)=CC=C(CO)CF;QXUKFOAJDHKBLH-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347538;MM347538;CC1(N)CCC2(CF)NC12;ZCPVRMBLVILMRQ-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347539;MM347539;CCC(=CC=C(C)F)CC;SGYPQNYRTIJKLA-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347540;MM347540;CC1(O)CCC2(CN)NC12;VZNMRIQZWIJSIZ-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347541;MM347541;CCC(=CC=C(C)F)CN;BGQLCUNWHJHOQF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347542;MM347542;C=CC#CCCC(O)C=C;BPOGLNJGNAKTNF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347543;MM347543;CCCCC(C)CC(N)=O;YLZYCYYKBFWDOU-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347544;MM347544;CCC12CCC(C)(F)C1N2;NSQNICFGRHPDQG-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347545;MM347545;CCC(=CC=C(C)F)CF;BLVOZTIYQPGORR-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347546;MM347546;CC1(F)CCC2(CN)NC12;MUMIRGPSLIKPNM-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347547;MM347547;CC(F)=CC=C(CO)CO;AHLZVFKDPRGJBP-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347548;MM347548;CCC12CCC(F)(F)C1N2;XLFKVXDUWYCUCV-UHFFFAOYSA-N;147.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347549;MM347549;CC(F)=CC=C(CO)CF;XAFVFBLVAVTWNF-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347550;MM347550;C=CC=NN=CC(C)C=O;LFNOUAZZXBYDFI-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347551;MM347551;CC(F)=CC=C(CF)CF;RMUQEXWLCXOFBK-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347552;MM347552;FCC12CCC(F)(F)C1N2;CQYKPKIQKQRFHB-UHFFFAOYSA-N;151.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347553;MM347553;CC(C)(C#N)NCCC=O;FLGJXBQIFNEZQB-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347554;MM347554;CCC12CNC(C)(C)C1N2;STZQFPXPWRSJPM-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347555;MM347555;CC1(C)NCC2(CN)NC12;PWURPNUXXGFSEC-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347556;MM347556;NCC(=CC=C(F)F)CN;WIOFMTFTNOAJJC-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347557;MM347557;CCC12COC(C)(C)C1N2;WOTGPFPVBFENKX-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347558;MM347558;NCC(=CC=C(F)F)CO;VMRPOVOQBXMUAN-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347559;MM347559;CC(C=CC#CCF)CO;ZKZBSZFRLWUNSR-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347560;MM347560;NCC(=CC=C(F)F)CF;XIARPWFQKAYLEZ-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347561;MM347561;CCC12CCC(C)(C)C1O2;HUABIKOLZKONIJ-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347562;MM347562;CCC(=CC=C(C)C)OC;WOYDGZXRRIFCMR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347563;MM347563;COC(=CC=C(C)C)CN;DGZRWUXYWXGTHA-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347564;MM347564;CC1(C)CCC2(CN)OC12;YIFBIWJSAQWBCY-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347565;MM347565;COC(=CC=C(C)C)CO;WJOJFLWZQVAODX-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347566;MM347566;CC1(C)CCC2(CF)OC12;OFOJKXNCFYCYNX-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347567;MM347567;COC(=CC=C(C)C)CF;IIOHDOXNQJRGOA-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347568;MM347568;CC1(N)CCC2(CN)OC12;DYDVQOCBFVIEOS-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347569;MM347569;CCC(=CC=C(C)F)OC;RQSFVHGFNFUGPW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347570;MM347570;CC1(N)CCC2(CO)OC12;IIOPGBNPCMBYNE-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347571;MM347571;COC(=CC=C(C)F)CN;RUHARCICTJQUSH-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347572;MM347572;CCC12CCC(C)(O)C1O2;NWKMMKKJPFESJO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347573;MM347573;COC(=CC=C(C)F)CO;AJXGLKIFKPJJQC-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347574;MM347574;CC1(O)CCC2(CN)OC12;BTLLEPDSMTWGMI-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347575;MM347575;CCC(=CC=C(F)F)OC;BHOGBIJXTSYILQ-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347576;MM347576;CC1(O)CCC2(CO)OC12;ZVTJRIMWCGPWLH-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347577;MM347577;COC(=CC=C(F)F)CN;RRIAMCDKPWXYPT-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347578;MM347578;CC1(O)CCC2(CF)OC12;YIQFGACJNZLCEC-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347579;MM347579;COC(=CC=C(F)F)CO;DMWZAFWGWVIPPK-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347580;MM347580;CCC12CCC(C)(F)C1O2;AHXAPNQKBDRVMI-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347581;MM347581;COC(=CC=C(F)F)CF;NJBVJDRRJDEOEV-UHFFFAOYSA-N;152.12;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347582;MM347582;CC1(F)CCC2(CN)OC12;QXJFZCIIHFSHGJ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347583;MM347583;CCC(CC)=NN=C(C)C;BIUYICHQUQAMLL-UHFFFAOYSA-N;140.23;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347584;MM347584;CC1(F)CCC2(CO)OC12;WWSNDBBOXSHYLI-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347585;MM347585;CCC(=NN=C(C)C)OC;XVCUXJKUQKEYSE-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347586;MM347586;CCC12CCC(F)(F)C1O2;WFHUCGWEPNMHTC-UHFFFAOYSA-N;148.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347587;MM347587;C#CC#CCC(C)(O)C=C;KIWXVNXGSXFMNL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347588;MM347588;NCC12CCC(F)(F)C1O2;KJMSWHOOWZWPPZ-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347589;MM347589;C=CC(=CC=C(C)C)CC;PWRYVQIFGLVBIQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347590;MM347590;OCC12CCC(F)(F)C1O2;DWCGNDYTYNSCHV-UHFFFAOYSA-N;150.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347591;MM347591;CCC(C=O)=CC=C(C)C;VMPABEXUGZXVIN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347592;MM347592;CC1(C)NCC2(CN)OC12;WZOMOGGHVTWVMO-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347593;MM347593;CCC(C#N)=CC=C(C)C;LDOFGWDTKAKNOQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347594;MM347594;CC1(C)NCC2(CO)OC12;OQVZOVAHJIOPSA-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347595;MM347595;C=CC(=CC=C(C)C)CN;ZBGLXKBAUYBSSE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347596;MM347596;CC1(C)OCC2(CN)OC12;YGVHMIDFIUGIJN-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347597;MM347597;COCC#CC(C)(C)CO;IPYHIEFMKRMUJM-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347598;MM347598;CC1(C)OCC2(CO)OC12;MSAAUHKIXFDWEI-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347599;MM347599;CC(C)=CC=C(C=O)CO;FMKZZSWGKILUOW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347600;MM347600;CCC12CCC(C)(C)N1C2;LKNLOLQDSYNMGP-UHFFFAOYSA-N;139.24;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347601;MM347601;CC(C)=CC=C(C#N)CO;NCWADMCYVBFRPB-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347602;MM347602;CC1(C)CCC2(CN)CN12;UEPXFRMZBJEATK-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347603;MM347603;C=CC(=CC=C(C)C)CF;KEJMKVNSXBYTMJ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347604;MM347604;C=CC12CCC(C)(C1)NC2;FDPFFMRRGLRVIG-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347605;MM347605;CC(C)=CC=C(C=O)CF;FKMBNZLFHDZZFS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347606;MM347606;CC(C)=CC=C(C#N)CF;JSVHBJVSTLMYCW-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347607;MM347607;NCC12C=CC(F)(C=C1)C2;IWABIYIQDKVHOI-UHFFFAOYSA-N;139.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347608;MM347608;C=CC(=CC=C(C)F)CC;WZVZCPFIGBWPBV-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347609;MM347609;C=CC12C=CC(F)(C=C1)C2;GAQGMXWZUSWXSG-UHFFFAOYSA-N;136.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347610;MM347610;CCC(C#N)=CC=C(C)F;MJLACYFIBVJGPX-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347611;MM347611;CCC1(C)CC1C1(C)CC1;AWZFLAFOVNDZPQ-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347612;MM347612;CC1NC1(C)CC(=O)C#N;WWBOEMJDVMEPHQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347613;MM347613;CC1(C2CC2(C)CN)CC1;ZBNNEXCGBLTLSP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347614;MM347614;CC(F)=CC=C(C=O)CO;BCSXPVLBCPDDLM-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347615;MM347615;C=CC#CC=CC(C)CO;JSUIOCSPNGPSMD-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347616;MM347616;CC(F)=CC=C(C#N)CO;NSAXDWNEJSSCOW-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347617;MM347617;CC1(C2CC2(C)CF)CC1;AGHJXMTYPBAICO-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347618;MM347618;CC(F)=CC=C(C=O)CF;VSVOJJNULDFINK-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347619;MM347619;CCC1(N)CC1C1(C)CC1;DSCIJJHAQBOGLJ-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347620;MM347620;CC(F)=CC=C(C#N)CF;LIYGJOWONMZTMG-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347621;MM347621;CC1(C2CC2(N)CO)CC1;NZQJNHSMHSXOAZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347622;MM347622;C=CC(=CC=C(F)F)CC;UGSVOMCIEDDUOW-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347623;MM347623;CC1(C2CC2(N)CF)CC1;SJBBRHDCIJCVOF-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347624;MM347624;CCC(C#N)=CC=C(F)F;OPNNHOURJSHRPJ-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347625;MM347625;C=CC(C=NOC)CC=O;UFMXUBAJIKQYAH-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347626;MM347626;C=CC(=CC=C(F)F)CN;ZZPZABYSIXMOJD-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347627;MM347627;CC1(C2CC2(O)CO)CC1;TWSSTSPPHXWYIB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347628;MM347628;C=C(C=C(F)CF)CCO;VCAVQHLYKUUXKV-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347629;MM347629;CC1(C2CC2(O)CF)CC1;OFCRTCTXISSZTD-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347630;MM347630;O=CC(=CC=C(F)F)CO;MZJQMOUPPPIPRI-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347631;MM347631;CCC1(F)CC1C1(C)CC1;SPHZOMHYYKYCSE-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347632;MM347632;N#CC(=CC=C(F)F)CO;MECLBRRFLVTNGK-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347633;MM347633;CC1(C2CC2(F)CN)CC1;KWJYNMXGWXOCGL-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347634;MM347634;C=CC(=CC=C(F)F)CF;NYQNUOGMDJYCCT-UHFFFAOYSA-N;148.13;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347635;MM347635;CCC1(C)CC1C1(N)CC1;HVEWSLNUSGJAKI-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347636;MM347636;N#CC(=CC=C(F)F)CF;JDJMCKLIRMBIII-UHFFFAOYSA-N;147.1;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347637;MM347637;CC1(CN)CC1C1(N)CC1;QJQZOOJPXBLONJ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347638;MM347638;C=CC(=CC=C(C)C)OC;FQMWCTMBMQFJNC-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347639;MM347639;CC1(CO)CC1C1(N)CC1;IRMQLTGDVHDMEG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347640;MM347640;COC(C=O)=CC=C(C)C;ZSQZBKFEDACKQE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347641;MM347641;CCC1(N)CC1C1(N)CC1;IYVWPARPSZKMFN-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347642;MM347642;COC(C#N)=CC=C(C)C;AWHHURAYKXJKDT-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347643;MM347643;NCC1(N)CC1C1(N)CC1;AKQQSFUHZDCIJN-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347644;MM347644;COC(C#N)=CC=C(C)F;IFUHLGQVSLPCCZ-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347645;MM347645;NC1(C2CC2(N)CO)CC1;ZQDRJIQVTQQOGW-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347646;MM347646;C=CC(=CC=C(F)F)OC;BILFKMUQZJCBLT-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347647;MM347647;CCC1(O)CC1C1(N)CC1;LEVURLBHQOCUOZ-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347648;MM347648;COC(C#N)=CC=C(F)F;JELXTNAKKXQNOR-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347649;MM347649;NCC1(O)CC1C1(N)CC1;RCTDMXUMFMEHTL-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347650;MM347650;C=CC(CC)=NN=C(C)C;KRHSSICIPOFRSD-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347651;MM347651;CCC1(F)CC1C1(N)CC1;RBEQAMLUYZPJEZ-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347652;MM347652;C=CC(CF)=NN=C(C)C;RONKKSJVQRDLIR-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347653;MM347653;NCC1(F)CC1C1(N)CC1;YZQICNROMAALML-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347654;MM347654;COC(C=O)=NN=C(C)C;FFFVRUGQNSAXNU-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347655;MM347655;NC1(C2CC2(F)CO)CC1;PPSMYDRELJXHRK-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347656;MM347656;C#CC(=CC=C(C)C)CC;IVSJJNCEIVFRMG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347657;MM347657;C#CC#CCC(C=C)CO;OPCRBRVTFXIHDG-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347658;MM347658;C#CC(=CC=C(C)C)CN;PCZNJMZUNSFHLB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347659;MM347659;CC1(CN)CC1C1(O)CC1;JSHUHBCCIRWFHK-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347660;MM347660;C#CC(=CC=C(C)C)CO;YJFSLPOGRHCWCV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347661;MM347661;CC1(CO)CC1C1(O)CC1;LUIKBHCVIGMQIY-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347662;MM347662;C#CC(=CC=C(C)C)CF;PQRBQGPYZIQGIS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347663;MM347663;CCC1(N)CC1C1(O)CC1;VCBXOWUHWVGFSF-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347664;MM347664;C#CC(=CC=C(C)F)CC;WSFBZDBBSDWNQI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347665;MM347665;NCC1(N)CC1C1(O)CC1;MCGPHJOSMYWEKZ-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347666;MM347666;C#CC(=CC=C(C)F)CF;IJGJKAZEQHRWHG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347667;MM347667;NC1(CO)CC1C1(O)CC1;QROHLVWBTPFFLA-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347668;MM347668;C#CC(=CC=C(F)F)CC;ZJTCQOIGOJOCQL-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347669;MM347669;CCC1(O)CC1C1(O)CC1;WRMLREMJAIPHIP-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347670;MM347670;C#CC(=CC=C(F)F)CF;RRFSGZUWTQZHME-UHFFFAOYSA-N;146.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347671;MM347671;NCC1(O)CC1C1(O)CC1;MWTZAFJRQHPCNW-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347672;MM347672;C#CC(=CC=C(C)C)OC;YFXBEOIDZOQFAS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347673;MM347673;OCC1(O)CC1C1(O)CC1;WCGOFZIBZCLCNM-UHFFFAOYSA-N;144.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347674;MM347674;C#CC(=CC=C(C)F)OC;FTJXCUJFEDKDPQ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347675;MM347675;CCC1(F)CC1C1(O)CC1;ZSKMQMBDKSFHIN-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347676;MM347676;C#CC(=CC=C(F)F)OC;LVGULPSFQNXPNJ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347677;MM347677;NCC1(F)CC1C1(O)CC1;GNIVYFGLKIWVPM-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347678;MM347678;C#CC(CC)=NN=C(C)C;BGRPKTVPMUUUGQ-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347679;MM347679;OCC1(F)CC1C1(O)CC1;LMOUFSMUAHJJLF-UHFFFAOYSA-N;146.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347680;MM347680;C#CC(=NN=C(C)C)OC;XWFUTKUNSVVUMD-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347681;MM347681;CCC1(C)CC1C1(F)CC1;PFQKSVSLKRWVJM-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347682;MM347682;C=CC(C=C)=CC=C(C)C;BKOMGSJHOBKRPK-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347683;MM347683;CC1(CN)CC1C1(F)CC1;YYCUVQZMEZCLSG-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347684;MM347684;C=CC(C=O)=CC=C(C)C;WEKZKISQUWRCEA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347685;MM347685;CC1(CO)CC1C1(F)CC1;OELIEMPPGXBEGZ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347686;MM347686;C=CC(C#N)=CC=C(C)C;KXOWJLDFYXZFHU-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347687;MM347687;CC1(CF)CC1C1(F)CC1;AEIRDUSLGFKIOO-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347688;MM347688;CC(C)=CC=C(C=O)C=O;WNHWCCGTRADWEQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347689;MM347689;CCC1(N)CC1C1(F)CC1;SWTLHNPYOAGTJV-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347690;MM347690;CC(C)=CC=C(C#N)C=O;WHFWFNXQAHPBNP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347691;MM347691;NCC1(N)CC1C1(F)CC1;RKDHDWRZCRKJDC-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347692;MM347692;C=CC(C=C)=CC=C(C)F;SDSOWUAWLZTJRT-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347693;MM347693;NC1(CO)CC1C1(F)CC1;LYBBOWFLGMRRIS-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347694;MM347694;C=CC(C=O)=CC=C(C)F;KHVIPROMDIYKET-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347695;MM347695;CCC1(O)CC1C1(F)CC1;AOOKLAWYFSLROI-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347696;MM347696;C=CC(C#N)=CC=C(C)F;YQZOSHPTVRIUKY-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347697;MM347697;NCC1(O)CC1C1(F)CC1;FSBQSCZMOUJPAY-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347698;MM347698;CC(F)=CC=C(C#N)C#N;NDTVZEQCCCFGTJ-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347699;MM347699;OCC1(O)CC1C1(F)CC1;GBBWVNYSQZZCCW-UHFFFAOYSA-N;146.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347700;MM347700;C=CC(C=C)=CC=C(F)F;SNCDUNHNCQXKKB-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347701;MM347701;CCC1(F)CC1C1(F)CC1;XXJLACGYPAXXRI-UHFFFAOYSA-N;146.18;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347702;MM347702;C=CC(C#N)=CC=C(F)F;SZTKZAGKSSEPDM-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347703;MM347703;NCC1(F)CC1C1(F)CC1;FSEDDIFSZDJJLZ-UHFFFAOYSA-N;147.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347704;MM347704;N#CC(C#N)=CC=C(F)F;MFHPLHKDLHOLMX-UHFFFAOYSA-N;140.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347705;MM347705;CNC1(C)CC1C1(C)CC1;VMSBSWLAAWPSSA-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347706;MM347706;C=CC(C=C)=NN=C(C)C;ZOCYSAMXCKRMHS-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347707;MM347707;CNC1(C)CC1C1(N)CC1;OJCFNFVFJRDVGD-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347708;MM347708;CC(C)=NN=C(C#N)C=O;FZCWCDQCHFASEA-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347709;MM347709;CNC1(C)CC1C1(O)CC1;HUOVEJNMMWAWCE-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347710;MM347710;CC(C)=NN=C(C#N)C#N;USXCEGLAOGFPPT-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347711;MM347711;COC1(C)CC1C1(C)CC1;ZPAJYNPFOHXVOC-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347712;MM347712;COC1(C)CC1C1(N)CC1;SJMGYWCGRCATNV-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347713;MM347713;C#CC(C=C)=CC=C(C)C;OXQSUONEBQMXIA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347714;MM347714;CC1(CN)CC1C1(C)CN1;UDKYFLBATGLLEX-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347715;MM347715;C#CC(C=O)=CC=C(C)C;ZTCYKPSXXFJKKF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347716;MM347716;CCC1(N)CC1C1(C)CN1;KZFFWFPDCBWJEQ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347717;MM347717;C#CC(C#N)=CC=C(C)C;JGAFXXSIDJEUAQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347718;MM347718;CC1(C2CC2(N)CN)CN1;QBNBIROPNRNPDV-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347719;MM347719;C#CC(C=C)=CC=C(C)F;RIXOKFLSLCWCRA-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347720;MM347720;CC1(C2CC2(N)CO)CN1;VXHQJXRDANBRBN-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347721;MM347721;C#CC(C=O)=CC=C(C)F;SHQFERDKNYUGMX-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347722;MM347722;CC1(C2CC2(N)CF)CN1;PZYJPKGNGWZLNG-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347723;MM347723;C#CC(C#N)=CC=C(C)F;STSWZGFOOBQMRP-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347724;MM347724;CC1(C2CC2(O)CN)CN1;KNEWLWJSEIPMTG-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347725;MM347725;C#CC(C=C)=CC=C(F)F;PXTQXSDBKNNSDS-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347726;MM347726;CC1(C2CC2(F)CN)CN1;QACGZBCOKIZULT-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347727;MM347727;C#CC(C=O)=CC=C(F)F;XXAUJZGYOYRUQZ-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347728;MM347728;CNC1(C)CC1C1(C)CN1;COVAVVUMFKVCDQ-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347729;MM347729;C#CC(C#N)=CC=C(F)F;VNAKUKIGMVJWRR-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347730;MM347730;CCC1(C)CC1C1(C)CO1;AYKAKIHBKMXFES-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347731;MM347731;C#CC(C=C)=NN=C(C)C;POVGOHUWPPLTLS-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347732;MM347732;CC1(CN)CC1C1(C)CO1;XTBOEWPYUIABNY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347733;MM347733;C#CC(C#N)=NN=C(C)C;ORYALYGKPNYVLD-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347734;MM347734;CC1(CO)CC1C1(C)CO1;XWKRNUSBDDMFBD-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347735;MM347735;C#CC(C#C)=CC=C(C)C;UJZPQTHJPPQXMU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347736;MM347736;CC1(CF)CC1C1(C)CO1;DRIBSGBIKNWJJF-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347737;MM347737;C#CC(C#C)=CC=C(C)F;ZRFWOKNILWZJAE-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347738;MM347738;CCC1(N)CC1C1(C)CO1;ZAZBMPWVKGWLLJ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347739;MM347739;C#CC(C#C)=CC=C(F)F;YLHLSKSLBDUJCP-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347740;MM347740;CC1(C2CC2(N)CO)CO1;JVMAMIFHAONGQN-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347741;MM347741;C#CC(C#C)=NN=C(C)C;VUVSTRFOIATQFA-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347742;MM347742;CCC1(O)CC1C1(C)CO1;MJSCKDSMVOICBX-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347743;MM347743;CCC1(CN)CC(C)C1C;ZEPMVBKZFMXPHT-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347744;MM347744;CC1(C2CC2(O)CN)CO1;HIQZTACCJMOWTQ-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347745;MM347745;CC1CC(CN)(CO)C1C;HIXKXJFHLORULP-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347746;MM347746;CCC1(F)CC1C1(C)CO1;CDLXRCGKAXACHD-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347747;MM347747;C#CC(C)=CC(=C)CCO;SGAURFWJDNUMOX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347748;MM347748;CC1(C2CC2(F)CN)CO1;HXEZGGSPGYGEMJ-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347749;MM347749;CCC1(CN)CC(O)C1C;AFJQILLPGKORJH-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347750;MM347750;CNC1(C)CC1C1(C)CO1;WZCGKBQBDURUOW-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347751;MM347751;CCC1(NC)CC(C)C1N;VMRAQUALVKDNKD-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347752;MM347752;COC1(C)CC1C1(C)CO1;VTBKHFSHYPDJEG-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347753;MM347753;CCC1(OC)CC(C)C1C;ZSMKHVFQJFKTCE-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347754;MM347754;CCC1(C)NC1C1(N)CC1;PSLKYHOPFHZWGZ-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347755;MM347755;CCC1(CN)NC(C)C1C;JRCBKVQNNDNFHI-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347756;MM347756;CC1(CN)NC1C1(N)CC1;KDMAYVDAFZWNAP-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347757;MM347757;CCC1(NC)CN(C)C1C;FBYZCQJULPDVRH-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347758;MM347758;CC1(CO)NC1C1(N)CC1;RWIHCAYVXZIXBC-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347759;MM347759;CCC1(C#N)CC(O)C1C;LDVXOBMWSOBKDP-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347760;MM347760;CC1(CN)NC1C1(O)CC1;YOLNKSNMBIVKPR-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347761;MM347761;C=CC1(CO)CC(O)C1C;KJSSTJRQEVKFMN-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347762;MM347762;CCC1(C)NC1C1(F)CC1;RANSQSCHMUBTNN-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347763;MM347763;C=CC1(NC)CC(N)C1C;MYFZASZPYOCFFS-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347764;MM347764;CCC(C)C1CC(CO)C1;LFJJKNLEVYELCG-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347765;MM347765;C=CC1(OC)CC(C)C1C;CYVOPNMLIFZCDN-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347766;MM347766;CC1(C2NC2(C)CN)CN1;PVHVDEZIYSRQQM-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347767;MM347767;C=CC1(CC)NC(C)C1C;QMPYUQUJDGZBBJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347768;MM347768;CC1(CN)NC1C1(C)CO1;IEJOIVJEGVDBPC-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347769;MM347769;C=CC1(NC)CN(C)C1C;VWAUYDIHSKXRAS-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347770;MM347770;C=C(C=O)CC1CC1CO;GVSNASAQOAKZPG-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347771;MM347771;C=CC1(CC)CC(C)N1C;LJQMBSYUMCSQEH-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347772;MM347772;CCC1(C#N)CC(C)N1C;ACDHKNLRCOUHHO-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347773;MM347773;CCC1(C)OC1C1(C)CC1;ZVHCQVRHOZRJFX-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347774;MM347774;C#CC(F)=CC(=C)CCO;PMROMOTYGVKLRI-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347775;MM347775;CCC1(C)OC1C1(N)CC1;WRZQVQAOEXYEBG-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347776;MM347776;C#CC1(CO)CC(N)C1C;VOMNIONXOLFELC-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347777;MM347777;CC1(CN)OC1C1(N)CC1;XPAMBJGHQPFRCF-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347778;MM347778;C#CC1(CO)CC(O)C1C;DDIZKTBEKWPASQ-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347779;MM347779;CC1(CO)OC1C1(N)CC1;XEMVBMBFUOJHSZ-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347780;MM347780;C#CC1(NC)CC(O)C1C;MXPMKWDJCANLFK-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347781;MM347781;CC1(CF)OC1C1(N)CC1;UXBGZOPNDSTCCH-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347782;MM347782;CCC1(C)OC1C1(O)CC1;RUWXVYJOIBMMHK-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347783;MM347783;C#CC1(CC)NC(C)C1C;XZBCSBBVRGVUDR-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347784;MM347784;CC1(CN)OC1C1(O)CC1;ACNYDFASLVRZEK-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347785;MM347785;C#CC1(CC)CN(C)C1C;HQXIGDJHURRSPZ-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347786;MM347786;CC1(CO)OC1C1(O)CC1;IQPQXDHLJWBYLK-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347787;MM347787;C#CC1(CC)CC(C)N1C;QWSICQVYGOYUFG-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347788;MM347788;CC1(CF)OC1C1(O)CC1;NAHDJXHUNYQCSP-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347789;MM347789;C#CC1(CN)CC(C)N1C;QOBQXSQXSUZVBE-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347790;MM347790;CCC1(C)OC1C1(F)CC1;ZHVMCWDQUHTPKI-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347791;MM347791;C=CC1(C=C)CC(C)C1C;UPZGCMPBDXVGBX-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347792;MM347792;CC1(CN)OC1C1(F)CC1;PJDLQJGQNBLQOC-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347793;MM347793;CCC(C)C(C)CC(N)=O;WZIYLCJJTYNHQB-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347794;MM347794;CC1(CO)OC1C1(F)CC1;PONQTJSGOGVYRX-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347795;MM347795;CC1C(O)CC1(C#N)C#N;DGNHEVUPJTUWTO-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347796;MM347796;CCC1(C)OC1C1(C)CO1;SIOBVRPIYZAVAW-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347797;MM347797;C=CC1(C=C)NC(C)C1C;GPGWKSKDSSWHFC-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347798;MM347798;CC1(C2OC2(C)CN)CO1;GRAMCWBHUMCLFR-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347799;MM347799;C=CC1(C#N)NC(C)C1C;NJPUBMZWGZMHPQ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347800;MM347800;CC1(N2CC2(C)CN)CC1;HKDYHOJLPILCTR-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347801;MM347801;CC1NC(C#N)(C=O)C1C;BVTQUOIDSNYINC-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347802;MM347802;CC1(CCC2(C)CC2)CC1;AGOIGPGACDZHNC-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347803;MM347803;CC1N(C)CC1(C#N)C#N;RDWAWZZYRPPEBG-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347804;MM347804;CC1(CCC2(N)CC2)CC1;XDHATTSDECZMLI-UHFFFAOYSA-N;139.24;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347805;MM347805;C=CC1(C=C)CC(C)N1C;WZMBGNHVFANVKH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347806;MM347806;C=C(C#N)CC1CC1CO;ZVLJMWRPANURIB-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347807;MM347807;C=CC1(C#N)CC(C)N1C;MUIINRXLXLDNRT-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347808;MM347808;CC1(CCC2(F)CC2)CC1;PWLIWSZTPMVNPJ-UHFFFAOYSA-N;142.22;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347809;MM347809;C#CC1(C=C)CC(N)C1C;MDXSCUMLFGQNSE-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347810;MM347810;NC1(CCC2(N)CC2)CC1;UUWVEVADNGDKCZ-UHFFFAOYSA-N;140.23;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347811;MM347811;CCCC(CC)CC(N)=O;CFUZKNGRUWYRTB-UHFFFAOYSA-N;143.23;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347812;MM347812;NC1(CCC2(O)CC2)CC1;XSNUNYNICYDTPL-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347813;MM347813;C#CC1(C=C)CC(N)C1N;YTZALNZYUJIXBT-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347814;MM347814;NC1(CCC2(F)CC2)CC1;LBCNQFGAVPOUQI-UHFFFAOYSA-N;143.21;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347815;MM347815;C#CC1(C=C)NC(C)C1C;HONFESZQTZOMNM-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347816;MM347816;OC1(CCC2(F)CC2)CC1;LPGZIGOORVVDQN-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347817;MM347817;C#CC1(C#N)CN(C)C1C;GOUZNTMNXLVWDM-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347818;MM347818;FC1(CCC2(F)CC2)CC1;HPAAPNFCPLINIL-UHFFFAOYSA-N;146.18;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347819;MM347819;C#CC1(C=O)CC(C)N1C;BNBKUCWSZDQCTL-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347820;MM347820;CC1(CNC2(C)CC2)CC1;BWSIJEAFAVLRJB-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347821;MM347821;C#CC1(C#N)CC(C)N1C;IOFZTRODVNYJIE-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347822;MM347822;CC1(NCC2(N)CC2)CC1;FZDWAUOATRBGLF-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347823;MM347823;C#CC1(C#C)CC(C)C1C;UKMBBTYHUCGPDL-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347824;MM347824;CC1(NCC2(O)CC2)CC1;QPPKFJSRVIFKEX-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347825;MM347825;C#CC1(C#C)CC(N)C1C;FRGYLFFEJHUHAD-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347826;MM347826;CC1(NCC2(F)CC2)CC1;VRANEIVKPGECTN-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347827;MM347827;CCC(CC(N)=O)C(C)C;GQUAAWHEDGWFOD-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347828;MM347828;CC1(OCC2(N)CC2)CC1;OJTGRXLKSYWJIN-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347829;MM347829;C#CC1(C#C)CC(O)C1N;AJQUXZAPZVWRNE-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347830;MM347830;CC1(OCC2(O)CC2)CC1;URSBXVUZLILZJH-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347831;MM347831;CCC1(CC)CC(=O)C1C;KRQUWOFRUNNRBH-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347832;MM347832;CC1(OCC2(F)CC2)CC1;YXZKAXCODMUUPO-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347833;MM347833;CCC1(CN)CC(=O)N1C;RTXMBOXQVMUWQL-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347834;MM347834;CC1(CCC2(N)CC2)CN1;CHWRGEXYBGEGGO-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347835;MM347835;CN1C(=O)CC1(CN)CN;SLSUEPCEUAYFTH-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347836;MM347836;CC1(NCC2(C)CN2)CC1;RWGNQAPJIFKCCS-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347837;MM347837;C=CC1(CC)CC(=O)C1C;HGKGBBQORUSHFU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347838;MM347838;CC1(CCC2(C)CO2)CC1;RBXZIJPMLDMYCI-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347839;MM347839;C=CC1(CO)CC(=O)C1C;IFOAYWOFBXNLHX-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347840;MM347840;CC1(CCC2(N)CC2)CO1;XFFUNRMTTMNHRX-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347841;MM347841;C#CC1(CN)CC(=O)N1C;HOQRIQFEERFWCE-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347842;MM347842;CC1(CCC2(O)CC2)CO1;FLYVBAGEKXNISG-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347843;MM347843;C=C(C=CCCC)CCO;WBQAMQCNTXJLDL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347844;MM347844;CC1(NCC2(C)CO2)CC1;OIEMRYJKBDBJDR-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347845;MM347845;C=CC1(C=C)CC(=O)C1C;FCOOAXHFZBMPQD-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347846;MM347846;CC1(OCC2(C)CO2)CC1;GXPNVNARRJYYAQ-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347847;MM347847;C=CC1(C=O)CC(=O)C1C;OSPOSMJNOMQCNS-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347848;MM347848;CC1(CCC2(C)CO2)CO1;ASRHFYICNYWRBS-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347849;MM347849;CC1C(=O)CC1(C=O)C=O;ZXBIUAPMEXSPSS-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347850;MM347850;CCC1(C2CC2(C)C)CC1;UTBAYGNSJZGVCP-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347851;MM347851;C=CC1(C=C)CC(=O)N1C;ACIBWGQQROPEAL-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347852;MM347852;CC1(C)CC1C1(CN)CC1;PGDXUJFDCBLTCJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347853;MM347853;C=CC1(C=O)CC(=O)N1C;WVJJMJBISLWMHV-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347854;MM347854;C#CC(=C)CC1CC1CO;KQUVOTZMKHYREH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347855;MM347855;C=CC1(C#N)CC(=O)N1C;AWEXSCMPQJXLMW-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347856;MM347856;CC1(C)CC1C1(CF)CC1;SJXOHPRLKZLZTK-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347857;MM347857;CN1C(=O)CC1(C#N)C=O;FAFHSMHXGOKGPI-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347858;MM347858;CCC1(C2CC2(C)N)CC1;MZDVVXHYGCRJRW-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347859;MM347859;CN1C(=O)CC1(C#N)C#N;GUNRBRQEBOPALD-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347860;MM347860;CC1(N)CC1C1(CN)CC1;XSVVHCZXRUGQRA-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347861;MM347861;C#CC1(C=C)CC(=O)N1C;BZYDKBJXWZVLIS-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347862;MM347862;C=CC1(C)CC1C1CC1O;CIEYWVOQWMAVIU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347863;MM347863;C#CC1(C#N)CC(=O)N1C;ZBUHNCHFDKCCJO-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347864;MM347864;CC1(O)CC1C1(CN)CC1;CUTVCBJBKJNGRH-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347865;MM347865;C#CC1(C#C)CC(=O)N1C;CAUAVHSXXJUGRB-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347866;MM347866;C=C(C=COCC)CCO;AZGDCPHXBOVJMC-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347867;MM347867;CC1(O)CC1C1(CO)CC1;DNZNFQKQQVHEFI-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347868;MM347868;CCC1(NC)CC(C)C1=O;UNMPPVRNERSSPJ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347869;MM347869;CCC1(C2CC2(C)F)CC1;SZTDLTTXLAKEAI-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347870;MM347870;CCC1(CN)CN(C)C1=O;BRSBNDVKMOHTDO-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347871;MM347871;CC1(F)CC1C1(CN)CC1;NGZLDNVGRMLRMB-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347872;MM347872;CN1CC(CN)(CN)C1=O;ZEFGNXSUDOXMTH-UHFFFAOYSA-N;143.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347873;MM347873;CC1(F)CC1C1(CO)CC1;UOWSVNDWZWQBBA-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347874;MM347874;CCC1(C#N)CC(C)C1=O;DVBRVAAQLDGRQU-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347875;MM347875;CCC1(C2CC2(F)F)CC1;RWMZFAOQBMITFN-UHFFFAOYSA-N;146.18;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347876;MM347876;CC1CC(C#N)(CO)C1=O;JLIVXZKYFQLGOG-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347877;MM347877;NCC1(C2CC2(F)F)CC1;SPILBWWVFKYQTH-UHFFFAOYSA-N;147.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347878;MM347878;CCC1(C#N)CN(C)C1=O;MWZQVUDTHMSAGY-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347879;MM347879;FCC1(C2CC2(F)F)CC1;MXFAOTYJCIWUJM-UHFFFAOYSA-N;150.14;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347880;MM347880;C=CC1(CN)CN(C)C1=O;FOBJDXLJERCQIU-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347881;MM347881;CNC1(C2CC2(C)C)CC1;HBZBLVIGAATCJB-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347882;MM347882;C#CC1(CC)CC(C)C1=O;HNYOPKRYWSJTKK-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347883;MM347883;CNC1(C2CC2(C)N)CC1;VOBREVRJJJOWMB-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347884;MM347884;C#CC1(CC)CN(C)C1=O;VJGNYLZTRDMQAB-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347885;MM347885;CNC1(C2CC2(C)O)CC1;WCHCGQHZTIWUIG-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347886;MM347886;C#CC1(CN)CN(C)C1=O;ZOBYQZFKMHODRG-UHFFFAOYSA-N;138.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347887;MM347887;CNC1(C2CC2(C)F)CC1;XXOUJQVPKGZEOO-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347888;MM347888;C#CC1(CC)CN(N)C1=O;BKSMDJLKTZYPLD-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347889;MM347889;CNC1(C2CC2(F)F)CC1;IAFBCRIZSANHCS-UHFFFAOYSA-N;147.17;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347890;MM347890;C=CC1(C=O)CC(C)C1=O;LRNWEDDUWBUIFG-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347891;MM347891;COC1(C2CC2(C)C)CC1;AVJQVWVWQFTTLD-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347892;MM347892;C=CC1(C#N)CC(C)C1=O;XDVWCKVSOXKQBA-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347893;MM347893;COC1(C2CC2(C)N)CC1;WIJGJRUZUXCDFW-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347894;MM347894;CC1CC(C#N)(C=O)C1=O;WLINXDZBCCHDLH-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347895;MM347895;COC1(C2CC2(C)O)CC1;GCGBJPWQARYBRI-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347896;MM347896;CC1CC(C#N)(C#N)C1=O;GRLKUUUOSHSZPP-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347897;MM347897;COC1(C2CC2(C)F)CC1;DOIYGVCANQYMSY-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347898;MM347898;C#CC1(C=C)CC(C)C1=O;HXBHWTRZYAQKCT-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347899;MM347899;CC1(C)CC1C1(CN)CN1;CYUPZEBVDKNCQB-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347900;MM347900;C#CC1(C=O)CC(C)C1=O;PBDOSOFDCSINMY-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347901;MM347901;CC1(C)CC1C1(CF)CN1;ZSERURIWLURGBE-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347902;MM347902;C#CC1(C#N)CC(C)C1=O;LJDRJMUSPVXHPC-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347903;MM347903;CCC1(C2CC2(C)N)CN1;IHTSTIOUBIRHCD-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347904;MM347904;C#CC1(C=O)CN(C)C1=O;CJSCDQWECSKFOJ-UHFFFAOYSA-N;137.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347905;MM347905;CC1(N)CC1C1(CN)CN1;NSYMYCASPBDTQG-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347906;MM347906;C#CC1(C#N)CN(C)C1=O;SEZYWLVCGFKYCF-UHFFFAOYSA-N;134.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347907;MM347907;CC1(N)CC1C1(CO)CN1;CPBDOISLQXTFRH-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347908;MM347908;C#CC1(C#C)CC(C)C1=O;YJBNSJYHXQKLBO-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347909;MM347909;CC1(O)CC1C1(CN)CN1;JVQGTXHRJNIQLK-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347910;MM347910;C#CC1(C#C)CN(C)C1=O;GINFGGDYJYNTFY-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347911;MM347911;CCC1CC(CC)(CC)C1;AMMPXJMJWHNTOH-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347912;MM347912;CC1(F)CC1C1(CN)CN1;KFGMVYDRUJKJBA-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347913;MM347913;CCC1(CC)CC(CN)C1;FSUYEDSBVNGROB-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347914;MM347914;NCC1(C2CC2(F)F)CN1;RXTWGDDTIYCXOM-UHFFFAOYSA-N;148.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347915;MM347915;C=CCC=CC(=C)CCO;QFLVUQZWMVCQNP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347916;MM347916;CCC1(C2CC2(C)C)CO1;DSVSOMTYDJQPCL-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347917;MM347917;CCC1(CC)CC(CF)C1;NZPIWXZLRAGZKD-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347918;MM347918;CC1(C)CC1C1(CN)CO1;YEVCKRBLQYPQOA-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347919;MM347919;CCC1CC(CC)(CN)C1;VEYHRHZWYFPZDR-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347920;MM347920;CCC1(C2CC2(C)N)CO1;GZBNQSXFMRPBOL-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347921;MM347921;CCC1(CN)CC(CN)C1;BRVXOQILLWVYAR-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347922;MM347922;CC1(N)CC1C1(CN)CO1;GYZODECNYICOCZ-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347923;MM347923;CCC1(CN)CC(CO)C1;PEOXQHLBTPIKPQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347924;MM347924;CC1(N)CC1C1(CO)CO1;ZFEFTEMXBCIPMW-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347925;MM347925;CCC1(CN)CC(CF)C1;SKWATMCLCWMFTA-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347926;MM347926;CCC1(C2CC2(C)O)CO1;NHXVORAKNKGJOX-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347927;MM347927;C=C(C=CCC=O)CCO;JSCVWYYTQYEKMM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347928;MM347928;CC1(O)CC1C1(CN)CO1;NLGJWBGDQVWSTP-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347929;MM347929;C=C(C=CCC#N)CCO;ZWLPMGIOCBBSOZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347930;MM347930;CCC1(C2CC2(C)F)CO1;OCVBUUKTZVKFLM-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347931;MM347931;CCC1(CF)CC(CN)C1;BJSQJDDMXWDMLV-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347932;MM347932;CC1(F)CC1C1(CN)CO1;IUJFFEPSBARTAP-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347933;MM347933;CCC1(CF)CC(CF)C1;BEVAROCHQFSFOF-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347934;MM347934;CCC1(C2CC2(F)F)CO1;VPYGPWIPFPKEFP-UHFFFAOYSA-N;148.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347935;MM347935;CCC1CC(CN)(CN)C1;OESKWQBESKWABU-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347936;MM347936;NCC1(C2CC2(F)F)CO1;WASIXPMMPQVEHT-UHFFFAOYSA-N;149.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347937;MM347937;NCC1(CN)CC(CO)C1;GCQAKZVYSFUSTJ-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347938;MM347938;OCC1(C2CC2(F)F)CO1;ZUGSYTGEZBYQGS-UHFFFAOYSA-N;150.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347939;MM347939;NCC1(CN)CC(CF)C1;YJGOZTGOHTUGAL-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347940;MM347940;CC1(C)NC1C1(CN)CC1;IQKQAXICNZQTFO-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347941;MM347941;CCC1CC(CN)(CO)C1;WEUYPKRBLNYWDP-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347942;MM347942;CNC1(C2NC2(C)C)CC1;HTAMVUBULTULLA-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347943;MM347943;NCC1(CO)CC(CO)C1;QXDWTIFHXWCUED-UHFFFAOYSA-N;145.2;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347944;MM347944;CC1(C)NC1C1(CN)CN1;GJTKZZYIASPLNK-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347945;MM347945;NCC1(CO)CC(CF)C1;XBLRHEUJCUQHGN-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347946;MM347946;CC1(C)NC1C1(CN)CO1;WVKBHCSXJSKWLV-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347947;MM347947;NCC1(CF)CC(CF)C1;NYEGIMVQSCBPFB-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347948;MM347948;CCC1(C2OC2(C)C)CC1;SUKHEQDJAFVYIS-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347949;MM347949;CCC1CC(CO)(CO)C1;AKONOFSRXVPNEY-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347950;MM347950;CC1(C)OC1C1(CN)CC1;MNRMFXHJXASLLC-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347951;MM347951;CCC1(CC)CC(NC)C1;FLQAQTNZJVKTSJ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347952;MM347952;CC1(C)OC1C1(CO)CC1;KAZDYEKWGVWRFK-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347953;MM347953;CCC1(CN)CC(NC)C1;YFZZSKICPMLJAL-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347954;MM347954;CC1(C)OC1C1(CF)CC1;LYHCFEOALIKNPB-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347955;MM347955;CCC1(CO)CC(NC)C1;JWMQCTBKAQPSHK-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347956;MM347956;CNC1(C2OC2(C)C)CC1;YVCIXJSIGFBQFA-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347957;MM347957;CCC1(CF)CC(NC)C1;CBKUZMINVAVTIA-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347958;MM347958;CNC1CC(CN)(CN)C1;CUYBMQHARMVZCR-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347959;MM347959;CC1(C)OC1C1(CN)CN1;XWFSFWKLMLXUBX-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347960;MM347960;CNC1CC(CN)(CF)C1;WVZAIMBTZANIHQ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347961;MM347961;C#Cc1n[nH]c(CF)c1N;DMSVDBCTROSKMC-UHFFFAOYSA-N;139.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347962;MM347962;CNC1CC(CO)(CO)C1;SFSYZQFMAOCLDF-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347963;MM347963;CCC1(C2OC2(C)C)CO1;HZPFKFUSEVEQEZ-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347964;MM347964;CCC1(CC)CC(OC)C1;ZISGPVCZNDYOCF-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347965;MM347965;CC1(C)OC1C1(CN)CO1;HNMRHYGXBSKBDT-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347966;MM347966;CCC1(CN)CC(OC)C1;WDXVPVYOTBHWGI-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347967;MM347967;CC1(C)OC1C1(CO)CO1;AMJHLEUXCMHMPT-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347968;MM347968;CCC1(CO)CC(OC)C1;RPBWWTCTTPLIPZ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347969;MM347969;CC1(C)CN1C1(CN)CC1;NUDQYNBOVIUQEV-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347970;MM347970;CCC1(CF)CC(OC)C1;MPWGUOZINJFHTL-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347971;MM347971;CCC1(CC2(C)CC2)CC1;XRMMIXUKNCMNEI-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347972;MM347972;COC1CC(CN)(CN)C1;VVLZFQLDNZLJEC-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347973;MM347973;CC1(CC2(CN)CC2)CC1;VWIZNRDVGKFZCK-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347974;MM347974;CCC1CC(CC)(NC)C1;PABIQLAAHKXSIQ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347975;MM347975;C=NN1CC1C(C=O)CC;JONNLRAZZQYTQX-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347976;MM347976;CCC1(NC)CC(CN)C1;HLZOHSBPYSODJZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347977;MM347977;CC1(CC2(CF)CC2)CC1;QPOTZNSHIHKTMB-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347978;MM347978;CCC1(NC)CC(CO)C1;PYMVVHMNNDWWMX-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347979;MM347979;CCC1(CC2(N)CC2)CC1;IDPGGAXUDKSGEN-UHFFFAOYSA-N;139.24;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347980;MM347980;CCC1(NC)CC(CF)C1;TTYBMRUBGBHGJL-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347981;MM347981;NCC1(CC2(N)CC2)CC1;LVPZVLFUVDJZJF-UHFFFAOYSA-N;140.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347982;MM347982;CCC1CC(CN)(NC)C1;ZAIVGEHHBUMGTM-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347983;MM347983;NC1(CC2(CO)CC2)CC1;KEXNLLFAYGHTJI-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347984;MM347984;CNC1(CN)CC(CN)C1;GGGYFUQYDUWMQX-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347985;MM347985;CCCNN=CCCC=O;QTCQXLOHJLPLEU-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347986;MM347986;CNC1(CN)CC(CO)C1;QIIJBDORFKTKDB-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347987;MM347987;NCC1(CC2(O)CC2)CC1;TUFFJOWRAYBKGC-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347988;MM347988;CNC1(CN)CC(CF)C1;ROTYIKVCHMPAJF-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347989;MM347989;OCC1(CC2(O)CC2)CC1;OWBYEFZSVRBISX-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347990;MM347990;CNC1(CO)CC(CN)C1;IUWASTSSDOLPAN-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347991;MM347991;CCC1(CC2(F)CC2)CC1;HHPLUSGRKKSOQO-UHFFFAOYSA-N;142.22;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347992;MM347992;CNC1(CO)CC(CO)C1;VJPTUNSXIRXYOE-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347993;MM347993;NCC1(CC2(F)CC2)CC1;GPCHYKUOMASKRM-UHFFFAOYSA-N;143.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347994;MM347994;CNC1(CO)CC(CF)C1;IHTJWHMZBCQFKW-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347995;MM347995;OCC1(CC2(F)CC2)CC1;VJNHJKGZVYWSMX-UHFFFAOYSA-N;144.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347996;MM347996;CCC1(NC)CC(NC)C1;WHWODJVSPOUHMA-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347997;MM347997;CNC1(CC2(C)CC2)CC1;COLVUPHUFVSENX-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347998;MM347998;CNC1CC(CN)(NC)C1;SFRTWDDXUBXFMQ-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM347999;MM347999;CNC1(CC2(N)CC2)CC1;LIEZTSOQXFMYEK-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348000;MM348000;CNC1CC(CO)(NC)C1;KKERTSVVDQYXTP-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348001;MM348001;CNC1(CC2(O)CC2)CC1;SSRAHSFNGQWBSX-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348002;MM348002;CCC1(NC)CC(OC)C1;INHSYVXQHFXELK-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348003;MM348003;CNC1(CC2(F)CC2)CC1;XDOHAYQCXYSTQM-UHFFFAOYSA-N;143.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348004;MM348004;CNC1(CN)CC(OC)C1;GHHBERHBGVFSBM-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348005;MM348005;COC1(CC2(C)CC2)CC1;KCEGYZQKVHDEJX-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348006;MM348006;CCC1CC(CC)(OC)C1;FGASDDRJWHMWNA-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348007;MM348007;COC1(CC2(N)CC2)CC1;FSJTYMOHIYKUBD-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348008;MM348008;CCC1(OC)CC(CN)C1;UYCNFRVUDSNXRM-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348009;MM348009;COC1(CC2(O)CC2)CC1;FPCMSJDESKUBJW-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348010;MM348010;CCC1(OC)CC(CO)C1;HMNFSCOAYUIMCU-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348011;MM348011;COC1(CC2(F)CC2)CC1;HDICETKEHBHSSA-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348012;MM348012;CCC1(OC)CC(CF)C1;QVUDJJCBQPKVHU-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348013;MM348013;CCC1(NC2(C)CC2)CC1;OJFGNWUHNAGKCG-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348014;MM348014;CCC1CC(CN)(OC)C1;UAQGWCGISBKAOC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348015;MM348015;CC1(NC2(CN)CC2)CC1;BVCUVBZSCWHTHO-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348016;MM348016;COC1(CN)CC(CN)C1;SLBAPTFKIVGBNR-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348017;MM348017;CC1(NC2(CO)CC2)CC1;JROHLPXXOVCBSN-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348018;MM348018;COC1(CN)CC(CO)C1;WZEFBIGFAWHDKF-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348019;MM348019;CCC1(OC2(C)CC2)CC1;DGLCDLHFIVWRLP-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348020;MM348020;COC1(CN)CC(CF)C1;MYRVEEKOBPRBAG-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348021;MM348021;CC1(OC2(CN)CC2)CC1;YBRNBFDRVLHZET-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348022;MM348022;COC1(CO)CC(CN)C1;MSCBOJMAUOPRCM-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348023;MM348023;CC1(OC2(CO)CC2)CC1;VGFCRGMFLXAPEX-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348024;MM348024;CCC1CC(CF)(OC)C1;XOIIWKFOSUETFZ-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348025;MM348025;COC1(OC2(C)CC2)CC1;YQEBGQYIQQPNEL-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348026;MM348026;CC1(CC2(CN)CC2)CN1;UWKGTPZDYKVOGA-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348027;MM348027;CCC1(OC)CC(NC)C1;MFIXORPVZJXAJO-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348028;MM348028;CNC1(CC2(C)CN2)CC1;NJYOIHSZNUCPOB-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348029;MM348029;CNC1CC(CN)(OC)C1;KZSLHNYEVHXRCI-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348030;MM348030;CCC1(CC2(C)CO2)CC1;OAJGUQIIMHGODZ-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348031;MM348031;CNC1CC(CO)(OC)C1;ICIQCYJOXAQIRD-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348032;MM348032;CC1(CC2(CN)CC2)CO1;DVAQREOHYQLHMA-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348033;MM348033;CCC1(OC)CC(OC)C1;YOBPCSMJJHFNMT-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348034;MM348034;CC1(CC2(CO)CC2)CO1;TZWNZLWGFICULH-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348035;MM348035;COC1CC(CN)(OC)C1;GBWLBFLYUNOVEF-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348036;MM348036;CC1(CC2(CF)CC2)CO1;XQYBZSBBDQARKY-UHFFFAOYSA-N;144.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348037;MM348037;COC1CC(CO)(OC)C1;ABEWAKAQBFZNPA-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348038;MM348038;CNC1(CC2(C)CO2)CC1;LDYUMBGVJPUQTD-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348039;MM348039;CCC1CC(OC)(OC)C1;AHBYKLCQCCRVEL-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348040;MM348040;COC1(CC2(C)CO2)CC1;NQLUTADMZZSTHE-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348041;MM348041;COC1(OC)CC(CN)C1;PZTFVEFPAHZROW-UHFFFAOYSA-N;145.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348042;MM348042;CC1(CC2(CN)CN2)CC1;MZBNBFINTITVIR-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348043;MM348043;COC1(OC)CC(CO)C1;PPZLOPBUFOFNKE-UHFFFAOYSA-N;146.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348044;MM348044;CCC1(CC2(N)CC2)CN1;LRLFJAUSUBFQAM-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348045;MM348045;COC1(OC)CC(CF)C1;KSAYTNIAINRQOI-UHFFFAOYSA-N;148.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348046;MM348046;NCC1(CC2(N)CC2)CN1;WYWBSLFRVRFXHF-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348047;MM348047;CNC1CC(OC)(OC)C1;CXBTUKGFDDHOJL-UHFFFAOYSA-N;145.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348048;MM348048;NC1(CC2(CO)CN2)CC1;CICDDULCCLOKLS-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348049;MM348049;COC1CC(OC)(OC)C1;GDXCOHAEEKFQEZ-UHFFFAOYSA-N;146.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348050;MM348050;NCC1(CC2(O)CC2)CN1;CYDGHEKDBPRTQL-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348051;MM348051;CCC1CC(CC)(CC)N1;POJDBODDZKDRIS-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348052;MM348052;NCC1(CC2(F)CC2)CN1;OTOWGXAPDOUZKI-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348053;MM348053;CCC1(CC)CC(CN)N1;CNKMHKNOZMRIFG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348054;MM348054;CC1(CC2(CN)CN2)CN1;SKFJRWBLNAPWBO-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348055;MM348055;CCC1(CC)CC(CO)N1;VQNXNVPVRIMPIW-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348056;MM348056;CC1(CC2(CN)CN2)CO1;OFMKXKHWVPDNDZ-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348057;MM348057;CCC1(CC)CC(CF)N1;KPNHZMYPZQZVRO-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348058;MM348058;CC1(CC2(CF)CN2)CO1;UMFILDVAYNHRLT-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348059;MM348059;CCC1CC(CC)(CN)N1;RLAGJEFNPUDMDF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348060;MM348060;CCC1(CC2(C)CC2)CO1;OJBUWTYJJYZGBB-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348061;MM348061;CCC1(CN)CC(CN)N1;KTBAXVWMAIFHQR-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348062;MM348062;CC1(CC2(CN)CO2)CC1;NSHHBFXSLYSZDW-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348063;MM348063;CCC1(CN)CC(CO)N1;VBYGNSHLHUFQDB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348064;MM348064;CC1(CC2(CF)CO2)CC1;UMNLCCOLDHQHHY-UHFFFAOYSA-N;144.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348065;MM348065;CCC1CC(CC)(CO)N1;JTSYXBRXPJYSAH-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348066;MM348066;CCC1(CC2(N)CC2)CO1;VJXHOOYGWTXXES-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348067;MM348067;CCC1(CO)CC(CN)N1;NXADUTRGYHICKJ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348068;MM348068;NCC1(CC2(N)CC2)CO1;QZHIXCXJWGAUBJ-UHFFFAOYSA-N;142.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348069;MM348069;CCC1(CO)CC(CO)N1;AMYREILEURIKHE-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348070;MM348070;NC1(CC2(CO)CO2)CC1;LOYUHHYAXGZGOZ-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348071;MM348071;CCC1(CO)CC(CF)N1;UWBVPUAYCPUSMV-UHFFFAOYSA-N;147.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348072;MM348072;CCC1(CC2(O)CC2)CO1;UIDUJMKPGVMJEF-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348073;MM348073;CCC1CC(CN)(CN)N1;XTFUCMGGPSHYTQ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348074;MM348074;NCC1(CC2(O)CC2)CO1;BPGWIRWGZHAOIB-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348075;MM348075;NCC1CC(CN)(CN)N1;NKBCWZQZKZYBND-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348076;MM348076;CCC1(CC2(F)CC2)CO1;YMSHWOCAXPPMDL-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348077;MM348077;NCC1(CN)CC(CO)N1;BQSUUPWFHJPWGU-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348078;MM348078;NCC1(CC2(F)CC2)CO1;ZTOZBUWNCKZEPT-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348079;MM348079;NCC1(CN)CC(CF)N1;IWYUFNUQBRKXEF-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348080;MM348080;OCC1(CC2(F)CC2)CO1;WROKHDLZTDFACH-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348081;MM348081;CCC1CC(CN)(CO)N1;SQBNMBIACNCEAO-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348082;MM348082;CC1(CC2(CN)CO2)CN1;PBZGGDQDWNCKMW-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348083;MM348083;NCC1(CO)CC(CO)N1;XUDATBZUBTWOGQ-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348084;MM348084;CCC1(CC2(C)CO2)CO1;KTUVHSIDJZFGTA-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348085;MM348085;CCC1CC(CC)(CC)O1;LJTQCEGWYOPETM-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348086;MM348086;CC1(CC2(CN)CO2)CO1;AQZWOVIZDXCIKB-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348087;MM348087;CCC1(CC)CC(CN)O1;LFVRZUJVOMEOSL-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348088;MM348088;CC1(CC2(CO)CO2)CO1;UCMLCOWELDOCKE-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348089;MM348089;CCC1(CC)CC(CO)O1;DAXZAQICFRERQX-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348090;MM348090;CCC1(CC)CC(CF)O1;LKXQLRNZASPLIU-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348091;MM348091;CC1(CC2(CF)CO2)CO1;GJSCBIPBUZTIJY-UHFFFAOYSA-N;146.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348092;MM348092;CCC1CC(CC)(CN)O1;GQVYGSXJPMSDTH-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348093;MM348093;CCC(C)C(C)C(C)CN;ONAUVYZMJPQYIU-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348094;MM348094;CCC1(CN)CC(CN)O1;FQTIFXQKJLVDNN-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348095;MM348095;CCC(C)C(C)C(N)CN;GQSCOSJOXXPYDJ-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348096;MM348096;CCC1(CN)CC(CO)O1;AMRMZFNTPBZMFM-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348097;MM348097;CCC(C)C(C)C(N)CO;QAXZUUUGFDHGFG-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348098;MM348098;CCC1CC(CC)(CO)O1;DDYVUNYMRMUTGX-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348099;MM348099;CCC(C)C(C)C(N)CF;DHCAZSOBOZXGPP-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348100;MM348100;CCC1(CO)CC(CF)O1;GAGDJSZDCLUTMK-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348101;MM348101;CC(CN)C(C)C(N)CN;JQSLYPNSCZDDGS-UHFFFAOYSA-N;145.25;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348102;MM348102;CCC1CC(CN)(CN)O1;RCQKZOXQUYSKNM-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348103;MM348103;CC(CF)C(C)C(N)CN;KKCXZIWNEJGOIF-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348104;MM348104;NCC1CC(CN)(CN)O1;ADXYKMAEOZJWND-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348105;MM348105;CCC(C)C(C)C(O)CN;ZGBXENYCJBQTCS-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348106;MM348106;NCC1(CN)CC(CO)O1;PNEVVYBFNUUSQJ-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348107;MM348107;CCC(C)C(C)C(O)CF;AUGIKMGSTMELDU-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348108;MM348108;CCC1CC(CN)(CO)O1;IEVYWBZMCJJSPI-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348109;MM348109;CC(CN)C(C)C(O)CO;MBRINXNLWSHBNE-UHFFFAOYSA-N;147.22;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348110;MM348110;NCC1CC(CN)(CO)O1;CTSSZUWSJFTMGC-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348111;MM348111;CCC(O)C(C)C(C)CO;MAYREUPTYJOUHK-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348112;MM348112;NCC1(CO)CC(CO)O1;KXIPITSSWHMMQX-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348113;MM348113;CC(CN)C(C)C(F)CF;BXUQJSKYUBPKMB-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348114;MM348114;OCC1CC(CO)(CO)O1;NSVKEHHEUKKRQZ-UHFFFAOYSA-N;148.16;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348115;MM348115;CC(CO)C(C)C(F)CF;CAAFAHOTGVIVEY-UHFFFAOYSA-N;152.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348116;MM348116;CCN1CC(CC)(CC)C1;BULOHEQWSMPSNZ-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348117;MM348117;CCC(N)C(C)C(N)CN;NMNVEBJJAXJWGZ-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348118;MM348118;CCN1CC(CC)(CN)C1;SCEDEXAYWBDERM-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348119;MM348119;CCC(O)C(C)C(N)CF;QKAAGTUYXRARHD-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348120;MM348120;CCN1CC(CC)(CO)C1;BIYQVPYESXXTQZ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348121;MM348121;CCC(N)C(C)C(F)CC;MLXRKEJHWMIKRM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348122;MM348122;CCN1CC(CN)(CN)C1;MGOSLIVYYZYWLR-UHFFFAOYSA-N;143.23;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348123;MM348123;CCC(N)C(C)C(F)CF;HFHKKBUZIMGQCG-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348124;MM348124;CCN1CC(CN)(CO)C1;KBGAQFZVZKKPCB-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348125;MM348125;CC(C(N)CN)C(F)CF;ATMKXURMZGZSCR-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348126;MM348126;CCN1CC(CC)(NC)C1;GNRKTBABXIFNNK-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348127;MM348127;CC(C(N)CO)C(F)CN;XYKGKOHMANCPIS-UHFFFAOYSA-N;150.2;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348128;MM348128;CCN1CC(CN)(NC)C1;VWUGNCTZAZWAPV-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348129;MM348129;CC(C(N)CF)C(F)CF;VIRODIXYYJDIHK-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348130;MM348130;CCN1CC(CO)(NC)C1;OJBHUQKMCNJSJA-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348131;MM348131;CCC(O)C(C)C(O)CN;FIOMXVCHWFBGLF-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348132;MM348132;CCN1CC(CN)(OC)C1;KDQPDZZFRCIRMX-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348133;MM348133;CCC(O)C(C)C(F)CC;GCHFJZSUEGJCOU-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348134;MM348134;CCN1CC(OC)(OC)C1;ZLJRIVUUQBLJHW-UHFFFAOYSA-N;145.2;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348135;MM348135;CCC(O)C(C)C(F)CF;OPUGADRUTSHRGN-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348136;MM348136;C=CC1CC(CC)(CC)C1;LOXVOODUQYFMCB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348137;MM348137;CC(C(F)CN)C(F)CN;SDWIZQMTYGVCJB-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348138;MM348138;CCC1(CC)CC(C=O)C1;QOUQBKSRLXERMU-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348139;MM348139;CC(C(F)CN)C(F)CF;XCAKWRDPNCJYDO-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348140;MM348140;CCC1(CC)CC(C#N)C1;SHFOVPMSEZNYJG-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348141;MM348141;CCC(C)C(N)C(C)CC;NQCIHPGUHDUFRE-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348142;MM348142;C=CC1CC(CC)(CN)C1;SGOWOFCHBFNCBD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348143;MM348143;CCC(C)C(N)C(C)CF;GOMWXZMKHXREOL-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348144;MM348144;C=C(C=CC=CC)CCO;OAXHKVJCWDZOGU-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348145;MM348145;CCC(C)C(N)C(N)CN;PSHBZDQKSGQLLW-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348146;MM348146;C=C(C)C(=CC=O)CCO;CDEKZUNKGVNFBC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348147;MM348147;CCC(C)C(N)C(N)CO;GUHMOBDDOPMNRB-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348148;MM348148;CCC1(CF)CC(C=O)C1;FCWSHSBBNXZYGM-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348149;MM348149;CC(CF)C(N)C(N)CN;KPSNLICZENTZJT-UHFFFAOYSA-N;149.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348150;MM348150;CCC1(CF)CC(C#N)C1;RCAMKOQTIAYFAP-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348151;MM348151;CC(CF)C(N)C(O)CO;FOCUDFKNCXAEKI-UHFFFAOYSA-N;151.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348152;MM348152;C=CC1CC(CN)(CN)C1;CXXLJHWEXQZCAF-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348153;MM348153;CC(CF)C(N)C(O)CF;VRSOXBUYBNQWJP-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348154;MM348154;C=CC1CC(CN)(CO)C1;SJIBWUFBKAPXNU-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348155;MM348155;CCC(C)C(N)C(F)CC;UGTJNNALECWVDM-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348156;MM348156;O=CC1CC(CO)(CO)C1;AXRFQRAGVFLSBY-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348157;MM348157;CCC(C)C(N)C(F)CF;XMVXIASZEDXALV-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348158;MM348158;N#CC1CC(CO)(CO)C1;FCEAOKGBHPNYLO-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348159;MM348159;CC(CO)C(N)C(F)CF;ODZBHJGTLZFZFP-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348160;MM348160;C=CC1CC(CC)(NC)C1;KIKXXVNBEZWREX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348161;MM348161;CCC(N)C(N)C(N)CC;VGKRXOJLCYOLFZ-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348162;MM348162;CCC1(NC)CC(C=O)C1;YCZJZTRLAPFWOS-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348163;MM348163;NC(CO)C(N)C(N)CO;ASXLQGZWCOXQIW-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348164;MM348164;CCC1(NC)CC(C#N)C1;YJWWSKGFLFAWNF-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348165;MM348165;NCC(N)C(N)C(O)CO;CVUGASDREROYEK-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348166;MM348166;C=CC1CC(CN)(NC)C1;GERLUQYKFKSDGJ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348167;MM348167;NCC(O)C(N)C(N)CO;WKPSZZUNSJUQDL-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348168;MM348168;C=CC1CC(CO)(NC)C1;VNMCGPDZHGFLMB-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348169;MM348169;NC(CO)C(N)C(O)CO;HPGQGFIGUGXJLA-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348170;MM348170;CNC1(CO)CC(C#N)C1;VNFGXKHKHBJQHM-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348171;MM348171;CCC(N)C(N)C(F)CF;ORYKQVOEMULAFM-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348172;MM348172;C=CC1CC(CC)(OC)C1;HSMFOYAGJWWDTF-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348173;MM348173;CCC(F)C(N)C(N)CN;ZWRWLOCIWAQQGJ-UHFFFAOYSA-N;149.21;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348174;MM348174;CCC1(OC)CC(C=O)C1;IAWYQQVSXGAECX-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348175;MM348175;CCC(F)C(N)C(N)CF;AAQXUCWONRKULA-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348176;MM348176;CCC1(OC)CC(C#N)C1;ZJUWMMZZQYXKLV-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348177;MM348177;NCC(O)C(N)C(O)CO;JPBBLIOUBNNHPQ-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348178;MM348178;C=CC1CC(CN)(OC)C1;LTZZCDZFJYVAET-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348179;MM348179;NC(C(O)CO)C(O)CO;SFDRBUOVLMEECP-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348180;MM348180;C=CC1CC(CO)(OC)C1;FNSAQNCEVMDJBC-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348181;MM348181;CCC(F)C(N)C(F)CN;RFNJDLNFXKEGGW-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348182;MM348182;COC1(CO)CC(C=O)C1;FORDLRSXBKKBHK-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348183;MM348183;CC(CO)C(O)C(N)CO;NBTNCWHHUUMUIY-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348184;MM348184;COC1(CO)CC(C#N)C1;LLISXLJIKJSXBG-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348185;MM348185;CCC(C)C(O)C(O)CN;FDKOKJUERPXWBW-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348186;MM348186;C=CC1CC(OC)(OC)C1;KTCFUWPWBWOVAC-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348187;MM348187;CCC(C)C(O)C(O)CO;FMNNJALHSLSSCG-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348188;MM348188;COC1(OC)CC(C=O)C1;CYBIWBIFKAUICM-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348189;MM348189;CC(CN)C(O)C(O)CO;VPSSUICNFPENHX-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348190;MM348190;COC1(OC)CC(C#N)C1;ZJCVOVPNRHOYJE-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348191;MM348191;CCC(O)C(O)C(C)CO;XSBMSRLSNQYWNP-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348192;MM348192;C=CC1CC(CC)(CC)N1;VHMQINSBIYRQIK-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348193;MM348193;CC(CO)C(O)C(O)CN;ONYPNGPNTCVVPS-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348194;MM348194;CCC1(CC)CC(C=O)N1;JODCORBEFIYQMS-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348195;MM348195;CC(CO)C(O)C(O)CO;JVWLUVNSQYXYBE-UHFFFAOYSA-N;150.17;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348196;MM348196;C=CC1CC(CC)(CN)N1;SGKXFLXULWFEPY-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348197;MM348197;CC(CO)C(O)C(O)CF;LZIJFYMHJVCKHA-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348198;MM348198;C=CC1CC(CC)(CO)N1;MJKPWQZCCFPCFY-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348199;MM348199;CC(CO)C(O)C(F)CO;CINPZMWAIGBLSA-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348200;MM348200;CCC(N)C(O)C(N)CN;RQMNMBJRCPIZQZ-UHFFFAOYSA-N;147.22;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348201;MM348201;CCC1(CO)CC(C=O)N1;XRFBWSAJGLAPHP-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348202;MM348202;CCC(N)C(O)C(N)CO;WNFOEQXOEXLGQN-UHFFFAOYSA-N;148.21;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348203;MM348203;N#CC1(C#N)CC(=O)CN1;PGYDGQVRSWYQNG-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348204;MM348204;NCC(N)C(O)C(N)CN;ZJLYTZQCWJVGIU-UHFFFAOYSA-N;148.21;-3.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348205;MM348205;C=CC1CC(CN)(CN)N1;XPYSOBDPXTZLJO-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348206;MM348206;NCC(N)C(O)C(N)CO;MAIZKBUMBSALJJ-UHFFFAOYSA-N;149.19;-3.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348207;MM348207;C=CC1CC(CO)(CO)N1;NEGWGQSJOIOGKA-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348208;MM348208;NCC(N)C(O)C(N)CF;GCXIKSXBDRMUJZ-UHFFFAOYSA-N;151.19;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348209;MM348209;C#CC(C)(C)C1CC1CO;AXWBOQYSOBKRJX-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348210;MM348210;NC(CO)C(O)C(N)CO;LLZVKYHRZPUPHS-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348211;MM348211;C=CC1CC(CC)(CC)O1;BIUIYQNJTJYTCR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348212;MM348212;NC(CO)C(O)C(N)CF;SUOVIURNMVDHKS-UHFFFAOYSA-N;152.17;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348213;MM348213;CCC1(CC)CC(C=O)O1;VCSDXJZSCTZBOR-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348214;MM348214;NC(CF)C(O)C(N)CF;JRRMOVLSXBCKIU-UHFFFAOYSA-N;154.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348215;MM348215;CCC1(CC)CC(C#N)O1;PXTJIMUHRIZJNS-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348216;MM348216;CCC(N)C(O)C(O)CF;PEONCYSDDXVZNS-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348217;MM348217;C=CC1CC(CC)(CN)O1;LRGXXKDNQRGAHQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348218;MM348218;NCC(N)C(O)C(O)CF;CQFTUVJNHHEECK-UHFFFAOYSA-N;152.17;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348219;MM348219;C=CC1CC(CC)(CO)O1;JOWVQDDQPSHKTD-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348220;MM348220;CCC(O)C(O)C(N)CO;ULVFNIHYRKSRPH-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348221;MM348221;CCC1(CO)CC(C=O)O1;DQADNPWUGCPBOF-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348222;MM348222;NCC(O)C(O)C(N)CO;VICXNLJCRXEJPJ-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348223;MM348223;CCC1(CO)CC(C#N)O1;GSOIHIGGDYTQLR-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348224;MM348224;NC(CO)C(O)C(O)CO;VMWHZZCFIPURJF-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348225;MM348225;C=CC1CC(CN)(CN)O1;BVLIERPTAHAINI-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348226;MM348226;NC(CO)C(O)C(O)CF;GZCDWZHKGYVVBW-UHFFFAOYSA-N;153.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348227;MM348227;C=CC1CC(CN)(CO)O1;UKJDMRRYJJVRLZ-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348228;MM348228;NCC(O)C(O)C(N)CF;DTHWNUOQNWLIDT-UHFFFAOYSA-N;152.17;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348229;MM348229;CCC1(CC)CN(C=N)C1;BXBKVJGRIIVGBX-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348230;MM348230;CCC(N)C(O)C(F)CO;BYWRORKRJQZXQG-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348231;MM348231;CCC1(CC)CN(C=O)C1;YINIVIPDXWZUCV-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348232;MM348232;NCC(N)C(O)C(F)CF;BNJZHMXJAIDQGD-UHFFFAOYSA-N;154.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348233;MM348233;CCC1(CN)CN(C=N)C1;UYGKETMGKVTATF-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348234;MM348234;NC(CO)C(O)C(F)CO;CMAWSHXQWGYLAF-UHFFFAOYSA-N;153.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348235;MM348235;CCC1(CN)CN(C=O)C1;HMGDJZHULICYFN-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348236;MM348236;CCC(O)C(O)C(O)CN;DAYDVQZKDCXZGX-UHFFFAOYSA-N;149.19;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348237;MM348237;CCC(O)C(O)C(O)CO;VBRIOQFOSCKZFN-UHFFFAOYSA-N;150.17;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348238;MM348238;CCC1(CO)CN(C=N)C1;OEDYZIPHFIZYFQ-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348239;MM348239;NCC(O)C(O)C(O)CN;RVHVUUOGELEUOE-UHFFFAOYSA-N;150.18;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348240;MM348240;CCC1(CO)CN(C=O)C1;HMHVNRDDCZNSTK-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348241;MM348241;NCC(O)C(O)C(O)CO;RNHXWPCUJTZBAR-UHFFFAOYSA-N;151.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348242;MM348242;CCC1(CF)CN(C=O)C1;VANGYXUBTVFWDW-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348243;MM348243;NCC(O)C(O)C(O)CF;RVMJOGREWKRTDD-UHFFFAOYSA-N;153.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348244;MM348244;N=CN1CC(CN)(CN)C1;WOOPYCKYQXIOJW-UHFFFAOYSA-N;142.21;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348245;MM348245;OCC(O)C(O)C(O)CO;HEBKCHPVOIAQTA-UHFFFAOYSA-N;152.15;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348246;MM348246;NCC1(CN)CN(C=O)C1;PAPZRRVMZAFTRE-UHFFFAOYSA-N;143.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348247;MM348247;CCC(O)C(O)C(F)CF;NJVHOXNJDSUTBN-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348248;MM348248;N=CN1CC(CN)(CO)C1;NMKWVKWFOCAMAT-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348249;MM348249;CCC(F)C(O)C(O)CN;XHALCZOUMUTRPL-UHFFFAOYSA-N;151.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348250;MM348250;NCC1(CO)CN(C=O)C1;HFPJDZIREKNUPL-UHFFFAOYSA-N;144.17;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348251;MM348251;NCC(O)C(O)C(F)CO;NKTOXABBWYCEII-UHFFFAOYSA-N;153.15;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348252;MM348252;N=CN1CC(CN)(CF)C1;VBZCQXUOWKHKMX-UHFFFAOYSA-N;145.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348253;MM348253;NCC(O)C(O)C(F)CF;NLZRVSZJNXUBMJ-UHFFFAOYSA-N;155.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348254;MM348254;N=CN1CC(CO)(CO)C1;CCCUOVMSUMONNU-UHFFFAOYSA-N;144.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348255;MM348255;CCC(C)C(F)C(C)CO;NSONCWLLANMWGH-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348256;MM348256;O=CN1CC(CO)(CO)C1;UEQWLYWJUCDWCA-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348257;MM348257;CC(CN)C(F)C(N)CF;GFFQVBYIXKNNPV-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348258;MM348258;O=CN1CC(CO)(CF)C1;UNHJFKUKSPMOOD-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348259;MM348259;CC(CF)C(F)C(N)CN;SHLLNPXGABGFMQ-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348260;MM348260;C=NN1CC(CC)(CC)C1;VIJWPSHRDUFEIJ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348261;MM348261;CCC(C)C(F)C(O)CO;XGMMSDWGTIQIRL-UHFFFAOYSA-N;150.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348262;MM348262;C=NN1CC(CC)(CN)C1;HEQPDBXUKWEPCD-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348263;MM348263;CC(CN)C(F)C(O)CF;FHFPBNAPIGNAQL-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348264;MM348264;C#CC(F)C(F)C=NNC;MZLATIDSMUNGRZ-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348265;MM348265;CC(CF)C(F)C(O)CN;ZPCLFKKZEUCEOQ-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348266;MM348266;C=NN1CC(CN)(CN)C1;UVPAMPKSQRBOSS-UHFFFAOYSA-N;142.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348267;MM348267;CCC(C)C(F)C(F)CN;YNXFGNSIAAZZEU-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348268;MM348268;C=NN1CC(CN)(CO)C1;FNCUVMQSOFAYBT-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348269;MM348269;CCC(F)C(F)C(C)CN;RAQKPTXAHNNQIV-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348270;MM348270;C=NOCOCC(C)C=O;QMZKDBGXKFCHTC-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348271;MM348271;CC(CN)C(F)C(F)CN;MOEUGAJMHXYHOG-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348272;MM348272;CC(CN)C(F)C(F)CF;MEFSRVMZDKBOPD-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348273;MM348273;CCC(F)C(F)C(C)CO;DOGZWDAVRFOUTC-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348274;MM348274;CCC(F)C(F)C(C)CF;AZDVQAHYKLKSAU-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348275;MM348275;CCC(N)C(F)C(N)CF;UTCHZUPQMAEUPH-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348276;MM348276;CCC(O)C(F)C(F)CC;OUXBZFTWSIVSLN-UHFFFAOYSA-N;152.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348277;MM348277;CCC(C)C(C)C(C)NC;LLQVTDZSHCKGLI-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348278;MM348278;CNC(C)C(C)C(C)CF;MGPVVVPHVNATQQ-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348279;MM348279;CNC(C)C(C)C(O)CO;GAKWHZYAWANGBT-UHFFFAOYSA-N;147.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348280;MM348280;CNC(C)C(N)C(F)CF;BVCRUIGWUGLHBJ-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348281;MM348281;CNC(C)C(O)C(N)CN;BBHOSANBWFGRBC-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348282;MM348282;CNC(C)C(O)C(N)CO;CSLXECSMBHDNGG-UHFFFAOYSA-N;148.21;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348283;MM348283;CCC(O)C(O)C(C)NC;WEVZTXSQOMUHDH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348284;MM348284;CNC(C)C(O)C(O)CN;DTCOEGMWFHCBJO-UHFFFAOYSA-N;148.21;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348285;MM348285;CNC(C)C(O)C(O)CO;WBYQLTDKSVGCHU-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348286;MM348286;CCC(C)C(F)C(C)NC;ZMTHIXWFMXJJSI-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348287;MM348287;CNC(C)C(F)C(N)CF;RDDAABZSMIHHCQ-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348288;MM348288;CCC(O)C(F)C(C)NC;WMNHIGZAQOXLLP-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348289;MM348289;CCC(F)C(F)C(C)NC;QXUFAMBTMJQDGV-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348290;MM348290;CNC(C)C(F)C(F)CF;XSCGCNJBKRWEDZ-UHFFFAOYSA-N;155.16;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348291;MM348291;CCC(C)C(N)C(C)OC;CNHSVLQCONEPKM-UHFFFAOYSA-N;145.25;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348292;MM348292;COC(C)C(N)C(C)CO;GKSQHKGOXSYZNT-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348293;MM348293;CCC(N)C(N)C(C)OC;ZYDCUSGPVPNFLV-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348294;MM348294;CCC(F)C(N)C(C)OC;OSOZVJJHOPTTNZ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348295;MM348295;COC(C)C(O)C(C)CN;NXKMIMDXDMLDNC-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348296;MM348296;COC(C)C(O)C(C)CO;IVBNHZOWBZLZFG-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348297;MM348297;COC(C)C(O)C(N)CO;UPMYRBQYTIIZBB-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348298;MM348298;COC(C)C(O)C(O)CN;PBXWVKCYMXVJPI-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348299;MM348299;COC(C)C(O)C(O)CO;JJBGLBPBVPODLI-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348300;MM348300;COC(C)C(O)C(O)CF;CDBMUEBELRDUKL-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348301;MM348301;COC(C)C(O)C(F)CO;XSGCVRXAZXVDGO-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348302;MM348302;CNC(C)C(N)C(C)OC;GFTRLKYMKURBHQ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348303;MM348303;CNC(C)C(O)C(C)OC;KVORMKULPSBKBY-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348304;MM348304;CCC(C)C(C)N(C)CC;AEPMKPNDKGYMJY-UHFFFAOYSA-N;143.27;2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348305;MM348305;CCN(C)C(C)C(C)CF;MICDRYYNWCRQBV-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Na";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348306;MM348306;CCN(C)C(C)C(N)CN;FXVAUAKAMCPNBD-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348307;MM348307;CCC(O)C(C)N(C)CC;RGLPSEBJMVQGJV-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348308;MM348308;CCC(F)C(C)N(C)CC;JTVHBWAXBGPQEL-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348309;MM348309;CCN(C)C(C)C(F)CN;MARALLKGMUODGA-UHFFFAOYSA-N;148.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348310;MM348310;CCN(C)C(C)C(C)NC;SOBROWJOCYBOPP-UHFFFAOYSA-N;144.26;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348311;MM348311;CCC(C)N(C)C(C)CN;ZEKNTHNIXPCSJF-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348312;MM348312;CC(CO)N(C)C(C)CO;AOEMTQGYLIGXQM-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348313;MM348313;C=CC(C)C(C)C(C)CN;FLIHEEGCPHYORA-UHFFFAOYSA-N;141.26;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348314;MM348314;C=CC(C)C(C)C(C)CF;CLCDDQWZAWJZSC-UHFFFAOYSA-N;144.23;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348315;MM348315;CCC=CCC1CC1CO;LYDZIJAOFLTDCL-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348316;MM348316;CCC(C)C(C)C(O)C=O;WSOSWLZQQMBCGK-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348317;MM348317;CC(CO)C(C)C(O)C#N;PVFSFZLBBJXJSX-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348318;MM348318;C=CC(F)C(C)C(C)CN;ORJVQPXGVVELJA-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348319;MM348319;CC(CO)C(C)C(F)C#N;PYIZDWNGOYYBKW-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348320;MM348320;CC(CF)C(C)C(F)C=O;ISDBFGXZKXUUIX-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348321;MM348321;CC(CF)C(C)C(F)C#N;MHHYBCJESLYXOG-UHFFFAOYSA-N;147.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348322;MM348322;C=CC(C)C(C)C(N)CC;MXOCFJAXIPSGFS-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348323;MM348323;C=CC(F)C(C)C(N)CN;DBZSZUANDJHYBK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348324;MM348324;CCC(O)C(C)C(C)C=O;UBOCJHPISNACFP-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348325;MM348325;CC(C=O)C(C)C(O)CO;VTJSNEMXPJYJGQ-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348326;MM348326;CC(C#N)C(C)C(O)CO;VUHYLBLDCLGEMZ-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348327;MM348327;CC(C#N)C(C)C(O)CF;GLJZEEAXKWBMGH-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348328;MM348328;CC(C(O)C=O)C(O)CO;BORWMUXMMOITCP-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348329;MM348329;CC(C(O)C#N)C(O)CO;ZGKKODVDDMQOBE-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348330;MM348330;CCC(F)C(C)C(C)C=O;DVNWAAKAYIWZGS-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348331;MM348331;C=CC(C)C(C)C(F)CN;MZFVBQGJTOLZKL-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348332;MM348332;CC(C#N)C(C)C(F)CO;PNBJPJGKHUNDEQ-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348333;MM348333;CC(C=O)C(C)C(F)CF;NTZSJIJWELCKMF-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348334;MM348334;C=CC(N)C(C)C(F)CN;KERZMAKXHLGCCU-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348335;MM348335;C=CC(N)C(C)C(F)CF;IQYSJGJWOZZIDB-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348336;MM348336;C=CC(C)C(N)C(C)CC;YBEUHHISQSJAHY-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348337;MM348337;C=CC(O)C(N)C(C)CN;CRLJWQRIKJUVDX-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348338;MM348338;C=CC(F)C(N)C(C)CN;CLAMIZRLSWKBRM-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348339;MM348339;C=CC(F)C(N)C(C)CF;AHDLDWNECGLFSA-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348340;MM348340;C=CC(C)C(N)C(N)CN;MPXJRLBSGDAWJK-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348341;MM348341;C=CC(C)C(N)C(N)CO;VBBUJMJDNBQAHK-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348342;MM348342;C=CC(O)C(N)C(N)CC;VAXYQHHPGWRZAD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348343;MM348343;C=CC(C)C(N)C(O)CO;QZJFBKYGVMCPBH-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348344;MM348344;C=CC(C)C(N)C(O)CF;SAXZQMQKLJUVAT-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348345;MM348345;C=CC(C)C(N)C(F)CC;MSNZPIZPRPQCHI-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348346;MM348346;C=CC(C)C(N)C(F)CN;PMONMHBIYYLYAR-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348347;MM348347;C=CC(C)C(N)C(F)CF;ZIBVOLAFUWZDSS-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348348;MM348348;C=CC(O)C(N)C(F)CF;XZZPNWJYYOUSIL-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348349;MM348349;CCC(C)C(O)C(C)C#N;VAYOFRWRBNOHIY-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348350;MM348350;CC(C#N)C(O)C(C)CO;AUIQTESQILYUKT-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348351;MM348351;C=CC(N)C(O)C(C)CO;DRSHXNKBFLMINQ-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348352;MM348352;CC(CO)C(O)C(O)C#N;JWNJCLUYBSNPII-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348353;MM348353;C=CC(N)C(O)C(N)CC;OWKMXQQXFTVGAN-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348354;MM348354;C=CC(N)C(O)C(N)CO;DEQZFRQXQQWGLO-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348355;MM348355;C=CC(F)C(O)C(N)CN;MBAZBUBVDILRAM-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348356;MM348356;C=CC(F)C(O)C(N)CO;XSWADSXKCOKANU-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348357;MM348357;CC(C#N)C(O)C(O)CO;YJXWJDJEULJUSG-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348358;MM348358;C=CC(N)C(O)C(O)CC;CNDLGVHNGQPEQP-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348359;MM348359;C=CC(N)C(O)C(O)CN;JBRAXSKOTAGGOM-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348360;MM348360;C=CC(O)C(O)C(O)CC;IAMIBDCODDNIRK-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348361;MM348361;CCC(O)C(O)C(O)C#N;MPKLOXKGRJDQRL-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348362;MM348362;O=CC(O)C(O)C(O)CO;PYMYPHUHKUWMLA-UHFFFAOYSA-N;150.13;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348363;MM348363;N#CC(O)C(O)C(O)CO;SWNJRURQYJZVFL-UHFFFAOYSA-N;147.13;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348364;MM348364;N#CC(O)C(O)C(O)CF;UYSGGKPMPKRXKA-UHFFFAOYSA-N;149.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348365;MM348365;C=CC(F)C(O)C(O)CC;WWVAXOCFCFBAGA-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348366;MM348366;CCC(O)C(O)C(F)C=O;OEZWECKMMBAKNN-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348367;MM348367;C=CC(F)C(O)C(O)CN;BTZQXVGBDWCDMR-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348368;MM348368;C=CC(F)C(O)C(O)CO;FAEOLJTZNLIXSW-UHFFFAOYSA-N;150.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348369;MM348369;N#CC(F)C(O)C(O)CO;ZSZKUXUBATXGMV-UHFFFAOYSA-N;149.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348370;MM348370;O=CC(F)C(O)C(O)CF;PZSUWXQHYVXNBD-UHFFFAOYSA-N;154.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348371;MM348371;CCC(F)C(O)C(C)C#N;RKXLRDDMCVTSCW-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348372;MM348372;CC(C=O)C(O)C(F)CF;FFSFAUCJYBPORI-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348373;MM348373;C=CC(O)C(O)C(F)CO;GJANZQCMSSNZHQ-UHFFFAOYSA-N;150.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348374;MM348374;CCC(F)C(O)C(F)C=O;NMBGWONELNTUCA-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348375;MM348375;O=CC(F)C(O)C(F)CO;ONKXNTLLMXPQLC-UHFFFAOYSA-N;154.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348376;MM348376;C=CC(N)C(F)C(C)CN;XQNAAJSFWZXFBT-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348377;MM348377;C=CC(O)C(F)C(C)CC;UVCDGMZAWUWZBU-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348378;MM348378;CC(CO)C(F)C(O)C#N;HXEMRIRNCZJIFR-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348379;MM348379;C=CC(C)C(F)C(N)CC;CPIGTIJEWAEGBR-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348380;MM348380;C=CC(N)C(F)C(N)CC;SAFUXXSNPNLYAS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348381;MM348381;C=CC(C)C(F)C(O)CC;VQFJNMSVYFTVHP-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348382;MM348382;C=CC(C)C(F)C(O)CO;OQKJKIGKWOSOPC-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348383;MM348383;C=CC(C)C(F)C(F)CC;XEBPIPHRNLQPSA-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348384;MM348384;C=CC(C)C(F)C(F)CN;QIVXJDWXRBTFSP-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348385;MM348385;C=CC(O)C(F)C(F)CF;UQJIKCXLTFHDGW-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348386;MM348386;C=CC(C)C(C)C(C)NC;NRULZBQFSIQGSD-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348387;MM348387;C=CC(F)C(C)C(C)NC;PUIWJIUINLJEIY-UHFFFAOYSA-N;145.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348388;MM348388;CNC(C)C(C)C(F)C#N;QRYBTEQRWSBKRQ-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348389;MM348389;C=CC(O)C(N)C(C)NC;OMBVMXSZGBFORG-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348390;MM348390;C=CC(F)C(N)C(C)NC;VHSWJVUKONIMPD-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348391;MM348391;CNC(C)C(O)C(C)C=O;VKMXSYIJFBKWGQ-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348392;MM348392;CNC(C)C(O)C(C)C#N;ITEXUPLVJOEELK-UHFFFAOYSA-N;142.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348393;MM348393;C=CC(O)C(O)C(C)NC;VUSIIRBMHZLSGJ-UHFFFAOYSA-N;145.2;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348394;MM348394;CNC(C)C(O)C(O)C#N;LRGMBHXMOSKWHJ-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348395;MM348395;CNC(C)C(O)C(F)C#N;MYIJKPXSNDXYSY-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348396;MM348396;C=CC(C)C(F)C(C)NC;BWMNWAFLOLUTJL-UHFFFAOYSA-N;145.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348397;MM348397;COC(C)C(C)C(C)C#N;RAPGIGAUELNBKN-UHFFFAOYSA-N;141.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348398;MM348398;C=CC(N)C(C)C(C)OC;TWQHFUREHPYKLJ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348399;MM348399;COC(C)C(C)C(O)C#N;HEZFGEPWYNAZHG-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348400;MM348400;C=CC(C)C(N)C(C)OC;RKCVJSBSMMVEKC-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348401;MM348401;COC(C)C(O)C(C)C=O;VVJVSWWDMYVHLB-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348402;MM348402;COC(C)C(O)C(O)C=O;HMKOWXNJUDKVHU-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348403;MM348403;COC(C)C(O)C(O)C#N;SCMUHNAHADWSMG-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348404;MM348404;C=CC(F)C(O)C(C)OC;CIZKGKWLRYQBIV-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348405;MM348405;COC(C)C(O)C(F)C=O;PVWDJYOUZNWZGZ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348406;MM348406;C=CC(O)C(F)C(C)OC;HQGFWPKIDIZOPS-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348407;MM348407;CCC(C)C(C)N(C)C=O;WLIJAIOLLZBMFA-UHFFFAOYSA-N;143.23;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348408;MM348408;CC(CN)C(C)N(C)C=O;HENSHQVIJZSCTO-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348409;MM348409;CC(CF)C(C)N(C)C=N;ZMHVYPOXKAHKNB-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348410;MM348410;CC(CF)C(C)N(C)C=O;HHUOSFPBAIRKSO-UHFFFAOYSA-N;147.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348411;MM348411;CCC(C)C(C)N(N)C=O;XUCMGDREIWWYGU-UHFFFAOYSA-N;144.22;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348412;MM348412;CC(CO)C(C)N(N)C=N;COKQQASIWNRBAZ-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348413;MM348413;CC(C(O)CN)N(C)C=O;RVNXKACGVMFLJA-UHFFFAOYSA-N;146.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348414;MM348414;CC(C(O)CO)N(C)C=O;JQFJJWMISMPFLZ-UHFFFAOYSA-N;147.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348415;MM348415;CC(C(O)CF)N(C)C=N;MSHKQIWOBIXTGP-UHFFFAOYSA-N;148.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348416;MM348416;CC(C(O)CF)N(C)C=O;PCBKJVFPPAYWNI-UHFFFAOYSA-N;149.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348417;MM348417;CCC(O)C(C)N(N)C=N;SEWMWKDKBPZQAP-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348418;MM348418;CCC(F)C(C)N(C)C=O;SQNRHNRHOMSNDX-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348419;MM348419;CC(C(F)CN)N(C)C=N;CPDOETPAJHAHDI-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348420;MM348420;CC(C(F)CN)N(C)C=O;CNKUDCSXBMYOEM-UHFFFAOYSA-N;148.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348421;MM348421;CC(C(F)CO)N(C)C=N;CAAQNWOFJCVHEY-UHFFFAOYSA-N;148.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348422;MM348422;CC(C(F)CF)N(N)C=O;IMKKUJOMKOQAIX-UHFFFAOYSA-N;152.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348423;MM348423;C=NN(C)C(C)C(C)CC;DILGWONAFUYVTL-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348424;MM348424;C=NN(C)C(C)C(C)CF;DRIRHFAEKGCEGM-UHFFFAOYSA-N;146.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348425;MM348425;OCC1CC1CC=CCF;BMHSIYSDHSXWMP-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348426;MM348426;C=NN(C)C(C)C(F)CC;FSIDTEQFTFSAGP-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348427;MM348427;O=CC=CCC1CC1CO;KUXCAJHACKAYJF-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348428;MM348428;CNC(C)C(C)N(C)C=N;KWDSUSUPOMQTHU-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348429;MM348429;COC(C)C(C)N(N)C=N;QDZWZZOILSTYMP-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348430;MM348430;C=CC(C)C(C)N(C)CC;PYCYPBXATKUPBE-UHFFFAOYSA-N;141.26;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348431;MM348431;CCN(C)C(C)C(C)C=O;AHWHIVQVFGJEIR-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348432;MM348432;C=CC(O)C(C)N(C)CC;BGQPKBXQHPRPHE-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348433;MM348433;CCN(C)C(C)C(O)C=O;DZSNKCPFCPHAAY-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348434;MM348434;C=CC(C)N(C)C(C)CO;WGYUCIUASLYFFC-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348435;MM348435;N#CC=CCC1CC1CO;MAUCZTNQNSTHNK-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348436;MM348436;CCC(C)N(C)N(C)C=N;GXMZHOLINRXKDR-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348437;MM348437;CCC(C)N(C)N(C)C=O;BQJFKOFXHCDEOO-UHFFFAOYSA-N;144.22;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348438;MM348438;C#CC=CCC1CC1CO;AUDZHKIYHZMMEK-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348439;MM348439;C#CC(C)C(C)C(C)CF;VBUNNLLMQNRSQU-UHFFFAOYSA-N;142.22;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348440;MM348440;C#CC(N)C(C)C(C)CC;XWZARTWJPADZOW-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348441;MM348441;C#CC(O)C(C)C(C)CC;HEZWHVXKPHQCSS-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348442;MM348442;C#CC(F)C(C)C(C)CN;OCXDOQZKRXHXNA-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348443;MM348443;C#CC(C)C(C)C(N)CC;WDWNFPWUYGVDSL-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348444;MM348444;C#CC(N)C(C)C(N)CN;DDTHJOPKNXHOCG-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348445;MM348445;C#CC(N)C(C)C(N)CO;YTGHSXZQIOQLRI-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348446;MM348446;C#CC(O)C(C)C(N)CN;JIUCUFGVVPEENX-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348447;MM348447;C#CC(O)C(C)C(N)CO;IEXNPNQGLVDFOX-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348448;MM348448;C#CC(O)C(C)C(N)CF;CPMVYQFYEODLSL-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348449;MM348449;C#CC(F)C(C)C(N)CN;LUKKJZNNORZUED-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348450;MM348450;C#CC(N)C(C)C(O)CN;BFHUFWVOICHYDT-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348451;MM348451;C#CC(N)C(C)C(O)CF;AJEOQZFKPPSICW-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348452;MM348452;C#CC(O)C(C)C(O)CC;RHIYXLMVYSWJBS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348453;MM348453;C#CC(O)C(C)C(O)CO;GRPOAYJJJVZEKL-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348454;MM348454;C#CC(O)C(C)C(O)CF;HJRXNMQFLJUCDG-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348455;MM348455;C#CC(N)C(C)C(F)CN;LCZIHDFJPGOQHC-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348456;MM348456;C#CC(N)C(C)C(F)CO;VSSDOODAGQIKDW-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348457;MM348457;C#CC(O)C(C)C(F)CC;JGRCYFFXWICJSH-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348458;MM348458;C#CC(O)C(C)C(F)CN;LFKWDUUMXZNSDK-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348459;MM348459;C#CC(O)C(C)C(F)CF;SZHZZLXZSHTFEA-UHFFFAOYSA-N;148.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348460;MM348460;C#CC(C)C(N)C(C)CC;ISUYRDOIQNGUIK-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348461;MM348461;C#CC(O)C(N)C(C)CC;RJCROWJGPZFOCM-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348462;MM348462;C#CC(O)C(N)C(C)CF;LZDZZMSURZRGMJ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348463;MM348463;C#CC(F)C(N)C(C)CO;LDQPGPDTKCFQCZ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348464;MM348464;C#CC(C)C(N)C(N)CF;BJAYKNSLBCHCBY-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348465;MM348465;C#CC(F)C(N)C(N)CC;KGTJPTMBROFWKL-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348466;MM348466;C#CC(C)C(N)C(F)CC;UQJDGUWXZYJEAF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348467;MM348467;C#CC(C)C(N)C(F)CN;YWBIFPLNUNIRQO-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348468;MM348468;C#CC(C)C(N)C(F)CO;HJIZOSOCYWZLOU-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348469;MM348469;C#CC(C)C(N)C(F)CF;OBLBLMCLHFVRKK-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348470;MM348470;C#CC(O)C(O)C(C)CC;DLQPNYZRCZBNPG-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348471;MM348471;C#CC(O)C(O)C(C)CO;JEVVMAPYDLBUGA-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348472;MM348472;C#CC(O)C(O)C(C)CF;VVNKQTYYKDJRHF-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348473;MM348473;C#CC(F)C(O)C(C)CN;BJSVDCQCDZBRLV-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348474;MM348474;C#CC(F)C(O)C(C)CO;HYRSAVXKEWNMNX-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348475;MM348475;C#CC(C)C(O)C(N)CF;XZDOUYDNBJPFIR-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348476;MM348476;C#CC(N)C(O)C(N)CC;CWDCVZUQTGQPMJ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348477;MM348477;C#CC(N)C(O)C(N)CN;VMQMGOOMDHCSBD-UHFFFAOYSA-N;143.19;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348478;MM348478;C#CC(N)C(O)C(N)CO;SLFWOMLWPPGREZ-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348479;MM348479;C#CC(O)C(O)C(N)CC;KPXTWQPSYCDASV-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348480;MM348480;C#CC(O)C(O)C(N)CN;WQTRONOPEDHCBY-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348481;MM348481;C#CC(O)C(O)C(N)CO;OFIJNWGPGGUXRU-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348482;MM348482;C=NN(C)C(C)CCCN;ZGIOVJFXSHLEBZ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348483;MM348483;C=CC(O)CCC(C)CO;QJJOTNSWSRDDOU-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348484;MM348484;C=NN(C)C(C)CCNC;DDYHPQDXQVQALX-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348485;MM348485;CCNCC(C)N(N)C=O;GXDTURDPDQPUPM-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348486;MM348486;C=CC(C)N(C)CCCC;HEQOFOZZBASUEK-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348487;MM348487;C=CC(C)N(C)CCCF;KGRCJOKGQJQJBP-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348488;MM348488;CN(C=N)N(C)CCCN;FUWUPOYBKCCEFA-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348489;MM348489;CN(C=O)N(C)CCCN;RQKBZCQXPUEDPY-UHFFFAOYSA-N;145.21;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348490;MM348490;C=CC(O)CCC(C)CF;YCIUYEWNKVAHNY-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348491;MM348491;CNCCN(C)N(C)C=N;QNMBSKLNWOFUPM-UHFFFAOYSA-N;144.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348492;MM348492;CNCCN(C)N(C)C=O;WHKJMBZZWDIYHH-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348493;MM348493;COCCN(C)N(C)C=N;NZTYVQQDKPCFQX-UHFFFAOYSA-N;145.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348494;MM348494;COCCN(C)N(C)C=O;VLKUFRRPWCLUPF-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348495;MM348495;C=CCCC(C)C(C)C=C;WQKRIKRBDIZEHG-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348496;MM348496;C=CCCC(C)C(C)C=O;FXCAMDULRCHTHJ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348497;MM348497;C=CC(F)CCC(C)CO;YXNIJWOBYMLWLL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348498;MM348498;CC(CCC=O)C(O)C=O;HZZZFOUOLUHJAL-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348499;MM348499;CC(CCC#N)C(O)C=O;UGFKBRMDHUPJQG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348500;MM348500;C=CCCC(C)C(F)C=C;MFPJRHVIUBTHMU-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348501;MM348501;C=CCCC(C)C(F)C=O;ADTYNJYTFUPFKF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348502;MM348502;C=CCCC(N)C(C)C=C;ZORJNBHTQJXBTR-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348503;MM348503;C=CCCC(O)C(N)C=C;BUDMIYHFFYWVHL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348504;MM348504;N#CC(O)C(O)CCC=O;MIHOXXOPHSTLSG-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348505;MM348505;C=CC(C)C(F)CCC=O;IVRWFMOMPQGICQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348506;MM348506;C=CCCC(F)C(C)C=O;PKIQLGYGDRPTEG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348507;MM348507;C=CC(C)C(C)CNC=N;CODIBBMSTVLHIR-UHFFFAOYSA-N;140.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348508;MM348508;CC(CO)CCC(F)C#N;XLJHLSSHIJLNFD-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348509;MM348509;CC(C=O)C(C)CN=CN;OMYBYPNHJNRCRI-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348510;MM348510;C=CC(N)C(C)CNC=O;ZQGLHRXNZGDNPQ-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348511;MM348511;C=CC(O)C(C)CNC=N;MYLUDVYNRIHLGI-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348512;MM348512;C=CC(O)C(C)CNC=O;WYALMYGMWIZIHQ-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348513;MM348513;CC(CN=CN)C(O)C=O;NNZFMUCBLOUNNC-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348514;MM348514;C=CC(C)C(N)CNC=O;PYQXPTBCYOXPPE-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348515;MM348515;C=CC(C)C(O)CNC=O;QCMPPEAQROXGIH-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348516;MM348516;C=CC(O)C(O)CNC=N;GUZUDMMPKXEJOV-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348517;MM348517;NC=NCC(O)C(O)C=O;IIOIBMKSJOLJFB-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348518;MM348518;N#CC(O)C(O)CNC=O;BCGRQMGJKLDYEO-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348519;MM348519;C#CC(F)C(O)C(N)CN;IACWLRABBNHLBZ-UHFFFAOYSA-N;146.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348520;MM348520;NC=NCC(O)C(F)C=O;DIRTVVPULNPOBK-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348521;MM348521;C#CC(F)C(O)C(N)CO;OLBIWSXEZIRDKL-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348522;MM348522;N#CC(F)C(O)CNC=N;WKLICUJSLGIXRS-UHFFFAOYSA-N;145.14;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348523;MM348523;C#CC(C)C(O)C(O)CO;MGULFNTUNOURKU-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348524;MM348524;C=CC(C)C(F)CNC=N;SUOCDWKEMFYPOJ-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348525;MM348525;C#CC(C)C(O)C(O)CF;ZAQFUSBINZAWEE-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348526;MM348526;C=CC(C)C(C)CNN=C;YPYHEPSZPFWAKU-UHFFFAOYSA-N;140.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348527;MM348527;C#CC(N)C(O)C(O)CN;AZTYKVYOMPURBU-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348528;MM348528;C=CC(C)C(F)CNN=C;HUXQUBYNWFLHSC-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348529;MM348529;C=COCC(C)C(C)C=C;BKWRESWTGVOPDM-UHFFFAOYSA-N;140.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348530;MM348530;C#CC(O)C(O)C(O)CC;TXQSXBSYMBHDMZ-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348531;MM348531;CC(C=O)C(C)COC=O;UVHZQZCNNODNKP-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348532;MM348532;C#CC(O)C(O)C(O)CN;JKUSORCCHZLYEP-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348533;MM348533;C=CC(O)C(C)COC=O;UWZFHDRZXSIRFT-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348534;MM348534;C#CC(O)C(O)C(O)CO;JKPMWBIMCVSHJP-UHFFFAOYSA-N;146.14;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348535;MM348535;C=COCC(N)C(C)C=C;JGZABVKHVAZEKP-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348536;MM348536;C#CC(F)C(O)C(O)CN;UFAWGVAJVIPLLM-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348537;MM348537;C=COCC(O)C(C)C=O;BZMKMVDPBCAETF-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348538;MM348538;C#CC(F)C(O)C(O)CO;VZZGFXFGYJHBIS-UHFFFAOYSA-N;148.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348539;MM348539;CC(C=O)C(O)COC=O;VEVYIBPQGAPVMD-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348540;MM348540;C#CC(C)C(O)C(F)CN;YJVTXJUACGOLQD-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348541;MM348541;C=CC(N)C(O)COC=O;GIBWKAWPYAEOFQ-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348542;MM348542;C#CC(C)C(O)C(F)CO;MNVJFPWVRKLEQU-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348543;MM348543;C=COCC(O)C(O)C=O;HKIQBIWDKYYXTG-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348544;MM348544;C#CC(O)C(O)C(F)CC;XROFQQYMRMEKNY-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348545;MM348545;N#CC(O)C(O)COC=O;YOBQQEXBDXMKAK-UHFFFAOYSA-N;145.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348546;MM348546;C#CC(N)C(F)C(C)CN;MDAHOEAZQHKPMW-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348547;MM348547;C=COCC(O)C(F)C=C;XGEKQQYKLVETLQ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348548;MM348548;C#CC(C)C(F)C(N)CC;NMIUHBKHVWQLNZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348549;MM348549;C=COCC(O)C(F)C=O;KPHDFTUPIKLLTI-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348550;MM348550;C#CC(C)C(F)C(N)CN;ARXSJAAPKJWONS-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348551;MM348551;O=COCC(O)C(F)C=O;JIWMOZYLENRCLA-UHFFFAOYSA-N;150.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348552;MM348552;C#CC(C)C(F)C(N)CO;QJTFPJYSKNRASS-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348553;MM348553;C=COCC(F)C(O)C=O;VETDIBGKWVMNAJ-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348554;MM348554;C#CC(N)C(N)C(C)NC;CRRCDHALSMLLKZ-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348555;MM348555;C=CCNC(C)C(C)C=C;RIATWOSEVVLBHF-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348556;MM348556;C#CC(O)C(O)C(C)NC;NOORZTITGOYVIM-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348557;MM348557;C=CC(C)C(C)NCC=O;YLDUXYXPARXILN-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C1";;;;;;;0.93;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348558;MM348558;C#CC(F)C(O)C(C)NC;RAVGSRCZJANOGJ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348559;MM348559;C=CCNC(C)C(O)C=O;BMDKLEGWLJPTSN-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348560;MM348560;C#CC(N)C(F)C(C)NC;KPEWASAIHILQCP-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348561;MM348561;C=CC(F)C(C)NCC#N;OYQXPSRGXDZBST-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348562;MM348562;C#CC(O)C(C)C(C)OC;UMFRNUKKUJMKCH-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348563;MM348563;CC(C#N)C(C)NNC=N;ZRKSAIWMXVYCOK-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348564;MM348564;C#CC(N)C(O)C(C)OC;VGNFHLDTGWJPOA-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348565;MM348565;CC(C#N)C(C)NNC=O;JBCUKGZLRCZXPF-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348566;MM348566;C#CC(O)C(C)N(C)CC;VBCFNDLUHONTTN-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348567;MM348567;CC(NNC=N)C(F)C#N;CVCXINZMMCDLCK-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348568;MM348568;C#CC(C)N(C)C(C)CO;YJQUYWAWKPRQNT-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348569;MM348569;C=CCOC(C)C(C)C=C;VDYZIYWVQFATDD-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348570;MM348570;C=CC(C)C(C)C(C)C=C;IUYJFZUVILNHJD-UHFFFAOYSA-N;138.25;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348571;MM348571;CC(C=O)C(C)OCC#N;BQYVMJPBUVBFDG-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348572;MM348572;C=CC(C)C(C)C(C)C=O;KDVPYFGZWUASFX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348573;MM348573;CC(C#N)C(C)OCC=O;IGBNTNYFMLTAJQ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348574;MM348574;C=CC(C)C(C)C(C)C#N;OIZSGHVVPWUTTC-UHFFFAOYSA-N;137.23;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348575;MM348575;C=CCOC(C)C(N)C=C;KFZKRFVMWWNZFS-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348576;MM348576;CC(C#N)C(C)C(C)C=O;CZKIFFBUSRNEIZ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348577;MM348577;C=CC(O)C(C)OCC#N;BEPWIMCQGQKKLW-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348578;MM348578;CC(C#N)C(C)C(C)C#N;QVKFOBIDTRDFNY-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348579;MM348579;CC(OCC#N)C(O)C=O;YJBSNJQDMMIPGL-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348580;MM348580;C=CC(C)C(C)C(N)C=C;ISAYKLOFENHTCQ-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348581;MM348581;C=CC(F)C(C)ONC=N;XQCDAPLSZQDBEI-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348582;MM348582;CCC1=NN=C(NN)CO1;YDWAMWJBZSAEQM-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348583;MM348583;C=CC(C)C(C)C(O)C#N;WQTHABRPXBOZHN-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348584;MM348584;C=CC(F)C(C)ONC=O;VBHJIHIQNMYSKN-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348586;MM348586;CC(ONC=O)C(F)C#N;ZXKTYFDFPBNYAC-UHFFFAOYSA-N;146.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348585;MM348585;CC(C=O)C(C)C(O)C=O;GQJMJDMQDQJLBX-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348587;MM348587;C=CCCC(C)N(C)C=O;JHCSMZCJCWEEST-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348588;MM348588;CC(C=O)C(C)C(O)C#N;GXWWBUNDADNQEG-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348589;MM348589;C=CCCC(C)N(O)C=N;ZGVQPQQCALJHCZ-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348590;MM348590;C=CC(C)C(C)C(F)C=O;YPIHYBQFVYDEPT-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348591;MM348591;C=CCCC(C)N(C)N=C;DOIKVEJYYNRONM-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348592;MM348592;CC(C(O)C=O)C(O)C=O;XPZLOVGJHXETCU-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348593;MM348593;CC(C=O)CNN(C)C=O;OPBBMYKNGIWXEK-UHFFFAOYSA-N;144.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348594;MM348594;C=CC(C)C(N)C(C)C=C;IMMAXFMAMNDISB-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348595;MM348595;CC(CNC=N)N(C)C=N;GSEYJCLANIGQMT-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348596;MM348596;C=CC(C)C(O)C(C)C#N;YLIWPWNCFRIUSS-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348597;MM348597;C=NNCC(C)N(C)C=N;OOJIDZCKGZGNON-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348598;MM348598;C=CC(N)C(O)C(O)C=C;RSAWTJOZOPCJKG-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348599;MM348599;C=NNCC(C)N(C)N=C;CCNPAMDPWOLYIQ-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348600;MM348600;C=CC(O)C(O)C(O)C#N;CJQMWNKYRRMQPO-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348601;MM348601;C=COCC(C)N(C)C=N;QXBBPVFEXYXJGA-UHFFFAOYSA-N;142.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348602;MM348602;C=CC(O)C(O)C(F)C=O;WIFRQYOUQYPCHD-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348603;MM348603;C=COCC(C)N(N)C=N;GOCIQRCPZNGGJM-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348604;MM348604;C=CC(F)C(O)C(O)C=O;XUVVJQKMLMMEAL-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348605;MM348605;C=COCC(C)N(N)C=O;BGVVJVPALZZAJE-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348606;MM348606;C=CC(F)C(O)C(F)C=C;ZRFRIURCTAOFOC-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348607;MM348607;C=NOCC(C)N(C)C=N;QWTYVPJCXLWRBG-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348608;MM348608;C=CC(F)C(O)C(F)C#N;VIKKCVTUPFIXQC-UHFFFAOYSA-N;147.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348609;MM348609;C=CCCN(C)N(C)C=N;DCHVJSUGAIXILM-UHFFFAOYSA-N;141.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348610;MM348610;C=CC(C)C(F)C(C)C=O;UUTMGOIYESGMQY-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348611;MM348611;C#CCCC(C)C(C)C=C;SNNTYKHWRLTQPQ-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348612;MM348612;C=CC(C)C(F)C(N)C=C;NSSDKNXTCAOHAY-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348613;MM348613;C#CCCC(C)C(C)C#N;BTCKPYDQXTVCKB-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348614;MM348614;C=CC(O)C(F)C(O)C=O;HIFOCDDTOUEPBH-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348615;MM348615;C#CCCC(C)C(O)C=O;NSBIUCYPHRXFHN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348616;MM348616;C=CC(O)C(F)C(O)C#N;PZWKAHRUKXQDGR-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348617;MM348617;C#CCCC(C)C(O)C#N;UHWDYQWUFHZDHJ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348618;MM348618;C=CC(O)C(C)N(C)C=O;HYULTLCZXKWBGA-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348619;MM348619;C#CCCC(N)C(C)C=C;WMRFKSNALMKBMZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348620;MM348620;C=CC(F)C(C)N(C)C=N;XTRBKBANMNLDNF-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348621;MM348621;CCC(C)C=CC(O)CC;HVCJTBQWPJCKJN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348622;MM348622;C=CC(C)C(C)N(C)N=C;LGTXMDWLIFFBTD-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348623;MM348623;C#CCCC(O)C(C)C=O;DLFJJUKXLBZJOB-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348624;MM348624;C=NN(C)C(C)C(C)C#N;LRPVWGGEBZACRZ-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348625;MM348625;C#CCCC(O)C(C)C#N;GNYRZTVKRIBVIC-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348626;MM348626;CCC1CC(O)C1;GMZYHUWOVZTDPC-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348627;MM348627;C#CCCC(O)C(O)C#N;IDDJKAATASWSPB-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348628;MM348628;C=CC(C)N(C)C(C)C=C;CUFKYQRIKKMAGV-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348629;MM348629;C#CCCC(F)C(C)C=C;LOZGLNPJBLYNRF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348630;MM348630;C#CC(C)C(C)C(C)C=C;MCDGCELHWTWUNH-UHFFFAOYSA-N;136.24;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348631;MM348631;C#CCCC(F)C(O)C=O;WBRHPAQCWFSESS-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348632;MM348632;C#CC(C)C(C)C(C)C=O;NDXQSGRYTSVFEF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348633;MM348633;C#CCNC(C)C(C)C=C;ONDNVZOVXGQVEP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348634;MM348634;C#CC(N)C(C)C(C)C=C;GXMGJSOPHMAXNX-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348635;MM348635;C#CCNC(C)C(C)C=O;FQTVPEDFVFAQJB-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348636;MM348636;C#CC(O)C(C)C(C)C=O;QAAHLYJUODJHAT-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348637;MM348637;C#CCNC(C)C(N)C=C;USIVZBAEMYWBAV-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348638;MM348638;C#CC(O)C(C)C(C)C#N;MERAIBIHIHFKLR-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348639;MM348639;C#CCOC(C)C(C)C=C;QXWQKBGNYUPCHI-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348640;MM348640;C#CC(C)C(C)C(N)C=C;YTOWNFXUUBVVLE-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348641;MM348641;C#CCOC(C)C(C)C#N;LZDVRNUQSPINRJ-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348642;MM348642;C#CC(O)C(C)C(N)C=C;CZVNTXSXTFFKJF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348643;MM348643;C#CCCC(C)N(C)N=C;JNLFJTNQCXCZAF-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348644;MM348644;C#CC(F)C(C)C(O)C#N;YFSVIGGFKWIXGY-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348645;MM348645;C#CCCN(C)C(C)C=C;YIGGKSJZVBLXOQ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348646;MM348646;C#CC(O)C(C)C(F)C=C;WVTYAYNMEJYCCT-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348647;MM348647;C#CCCN(C)C(C)C#N;PIMJXLPQLJBZHQ-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348648;MM348648;C#CC(C)C(N)C(C)C=C;AFZSKXULLGSCOI-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348649;MM348649;C#CCCN(C)N(C)C=N;IVTOOMAJNIEZFX-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348650;MM348650;C#CC(N)C(N)C(C)C=C;CQCOYGMAZBQJEK-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348651;MM348651;C#CC(C)C(C)CCCN;FSMQGIACPDRWIO-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348652;MM348652;C#CC(F)C(N)C(C)C=C;JLHFCDLULYCEGK-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348653;MM348653;C#CC(N)C(C)CCCF;QUJASWTVAAZQJL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348654;MM348654;C#CC(C)C(N)C(N)C=C;PTASKMANGQTVMD-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348655;MM348655;C#CC(O)C(C)CCCN;OBYWQZHSZGXLEI-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348656;MM348656;C#CC(C)C(N)C(O)C=C;LDKGIJWYWASBOD-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348657;MM348657;C#CC(O)C(C)CCCO;HKBBOQJPPDABLP-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348658;MM348658;C#CC(C)C(O)C(C)C#N;CPUVFESPHGMGCQ-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348659;MM348659;C#CC(N)C(N)CCCC;XWGSIWUJMBLUEQ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348660;MM348660;C#CC(N)C(O)C(N)C=C;ILDUSJDFXQBAMZ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348661;MM348661;C#CC(N)C(N)CCCN;DZSNBZUAIKETTK-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348662;MM348662;C#CC(C)C(O)C(O)C=O;UOJQANYFBIONDC-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348663;MM348663;C#CC(O)C(O)CCCC;DOFYKPFETMIFJE-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348664;MM348664;C#CC(C)C(O)C(O)C#N;HKAXEBIXYPZZSM-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348665;MM348665;C#CC(C)C(F)CCCN;SARJLSNYYMSNEE-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348666;MM348666;C#CC(O)C(O)C(O)C=C;WFXISXILEQPPMZ-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348667;MM348667;C#CC(N)C(F)CCCN;WEPSQMROXXQEJB-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348668;MM348668;C#CC(O)C(O)C(O)C=O;WSYSXXDTXHVLMB-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348669;MM348669;C#CC(O)C(F)CCCN;FDJKHTCEFXFGJO-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348670;MM348670;C#CC(C)C(O)C(F)C=O;QMKCHLUSAIZPOW-UHFFFAOYSA-N;144.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348671;MM348671;C#CC(F)C(F)CCCF;SYMFPGICRRWPMH-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348672;MM348672;C#CC(C)C(O)C(F)C#N;JRHBRMQOUFDTAK-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348673;MM348673;C#CC(C)C(C)CCNC;IBBUSKFKHRKXSK-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348674;MM348674;C#CC(C)C(F)C(O)C=C;UUGMNPTWEATFJH-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348675;MM348675;C#CC(F)C(N)CCOC;XPGQVXYUTLMTHA-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348676;MM348676;C#CC(C)C(F)C(O)C=O;OSEIRHHMSRYRLY-UHFFFAOYSA-N;144.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348677;MM348677;C#CC(N)C(O)CCOC;IOZLTIPKARBHRR-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348678;MM348678;C#CC(C)C(F)C(O)C#N;MNDDSJGZWZPDAP-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348679;MM348679;C#CC(C)C(F)CCOC;FHZBELVVXRPQNZ-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348680;MM348680;C#CC(O)C(F)C(O)C=C;JLTSOJOSICZNAZ-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348681;MM348681;C#CC(N)C(C)CNCC;PKHWKQMKEOUSGD-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348682;MM348682;C#CC(F)C(C)N(N)C=N;NDNQMBKJSKHMHL-UHFFFAOYSA-N;143.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348683;MM348683;C#CC(O)C(C)CNCC;KWYMPGMRQPGSNT-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348684;MM348684;C#CC(F)C(C)N(N)C=O;MZOSKPFMZKUWIC-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348685;MM348685;C#CC(F)C(C)CNCC;WSQUDWARHJRFSA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348686;MM348686;C#CC(C)C(N)CNCC;UIIWXBMBKIZUQA-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348687;MM348687;C#CC(C)C(C)N(C)N=C;WPLPYRRAYPBKKM-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348688;MM348688;C#CC(C)N(C)C(C)C#N;JIAKIBNOFUBKLD-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348689;MM348689;C#CC(C)C(O)CNCC;OBTAITIWEVUVBR-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348690;MM348690;C#CC(O)C(O)CNCC;CODWRBCFKIYKAV-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348691;MM348691;C#CC(C)N(C)N(C)C=N;ZKXXOCNEDWMYEL-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348692;MM348692;C#CC(F)C(O)CNCC;JJGCSUXUWUXJJT-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348693;MM348693;C#CC(C)C(C)C(C)C#C;DRYYSXQVJIZOGA-UHFFFAOYSA-N;134.22;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348694;MM348694;C#CC(C)C(F)CNCC;FPEJIXQTHBJIHI-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348695;MM348695;C#CC(C)C(O)C(F)C#C;VJSBSQDGRNNFOP-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348696;MM348696;C=C(CN)C(C)C(C)CC;BMDFBPZUPHCKEN-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348697;MM348697;C#CC(O)C(F)CNCC;ZXDCAMVSKIRIIH-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348698;MM348698;CC#CC(C)(C)CO;DNTJMCUQRISDSS-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348699;MM348699;C#CC(C)C(N)COCC;FCPJUCXWVSKACK-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348700;MM348700;C=C(CF)C(C)C(C)CC;PNHLBIQFLKSBNE-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348701;MM348701;C#CC(C)C(O)COCC;WHUFRMWOBUGHKL-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348702;MM348702;C=C(CC)C(C)C(C)CN;OCAPSPKDWOGYTA-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348703;MM348703;C#CC(C)C(C)NCCC;MJHPWLKIAVYMGN-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348704;MM348704;C=C(CN)C(C)C(C)CO;NRXIMFVVHVWXQW-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348705;MM348705;C#CC(O)C(C)NCCC;CIKYUHMXSKRSDT-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348706;MM348706;C=C(CC)C(C)C(C)CF;SEXLZABNASQMON-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348707;MM348707;C#CC(O)C(C)NCCO;UVLNQKIXSZJDBT-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348708;MM348708;C=C(CN)C(C)C(C)CF;IOYRVPXZSOLQMX-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348709;MM348709;C#CC(C)C(C)OCCO;YHGUURAQLLLEMO-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348710;MM348710;CCC(=O)C(C)C(C)CC;IRIIDIBXOJRBDH-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348711;MM348711;C#CC(F)C(C)OCCO;KBNGIFGXEZCBGF-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348712;MM348712;CCC(C)C(C)C(=O)CO;GBXQXBPEQFCDKF-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348713;MM348713;C#CC(C)C(C)OCOC;TZFQUASEMGXIBT-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348714;MM348714;CCC(=O)C(C)C(C)CF;LDKHGQZBGJBOTF-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348715;MM348715;C#CC(C)N(C)CCCF;JUBPDBKLCSYBTA-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348716;MM348716;CC(CF)C(C)C(=O)CF;CDWRHBPKIPWUGO-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348717;MM348717;C#CC(O)C(C)CCC=O;KNTNHZKAWWKKRV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348718;MM348718;C=C(CC)C(C)C(N)CC;RESCWGYNTIQGBJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348719;MM348719;C#CC(O)C(C)CCC#N;ORAQZTYMAPKJCC-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348720;MM348720;C=C(CC)C(C)C(N)CO;NFRBHCYJMAVMMB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348721;MM348721;C#CC(C)C(N)CCC=C;XPIXTTPJUZJRFM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348722;MM348722;C=C(CN)C(C)C(N)CO;LMNBNRWHVFRRGO-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348723;MM348723;C#CC(C)C(O)CCC#N;GEHSZLPMESLEAQ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348724;MM348724;C#CC=C(C)C(C)O;YTGIVTQGVNJJKM-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348725;MM348725;C#CC(F)C(O)CCC=O;LUYZZQMCAIXIKS-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348726;MM348726;C=C(CF)C(C)C(O)CC;FJPWNBPUGMEQNT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348727;MM348727;C=C(CC)C(C)C(O)CN;DELGQVITTQUGBM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348728;MM348728;C#CC(C)C(F)CCC=C;LLLCDFNYUHUCDL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348729;MM348729;C=C(CN)C(C)C(O)CN;QWXCTPWRNJZIOH-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348730;MM348730;CCC(O)C=CC(C)CF;WFCIOSUSFQZITH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348731;MM348731;C#CC(F)C(O)CNC=N;QSLDRLQHJVLOQR-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348732;MM348732;C=C(CC)C(C)C(O)CO;OYICJOYCVUZQDJ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348733;MM348733;C=C(CO)C(C)C(O)CO;JURGLXGAWXSIIY-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348734;MM348734;C#CC(F)C(O)CNC=O;GBUZKZKGWSDMNN-UHFFFAOYSA-N;145.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348735;MM348735;C=C(CC)C(C)C(O)CF;ZUJOTHVDMIROKT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348736;MM348736;C#CC(C)C(C)CNN=C;SJRDMKALWXQFBP-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348737;MM348737;CCC(=O)C(C)C(O)CC;GEZUGFBWAPDBGZ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348738;MM348738;C#CC(C)C(N)CNN=C;VNTXUYBSULBDCU-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348739;MM348739;CCC(=O)C(C)C(O)CO;MSJBMRNJSIETBA-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348740;MM348740;C=CC(C)=CCC(O)C=C;XQIJCJAVJWLENX-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348741;MM348741;CCC(=O)C(C)C(O)CF;ONRBWYNJSNEXGU-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348742;MM348742;C=CC(O)CC=C(C)C=O;QQZZJZVBVHLPPH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348743;MM348743;C=C(CC)C(C)C(F)CC;IDDZABBXSAMRIB-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348744;MM348744;C#CC(O)C(C)COC=C;BNMNZEXPFYDIJF-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348745;MM348745;C=C(CN)C(C)C(F)CN;DYWUVNCEFHCADK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348746;MM348746;C#CC(C)C(N)COC=O;YSTQNMNSLJZIKG-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348747;MM348747;C=C(CF)C(C)C(F)CN;KRRIFVQAQGRFPS-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348748;MM348748;CC(CO)CCC1(F)CC1;XDBOLJCTCBAJOX-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348749;MM348749;C=C(CC)C(C)C(F)CO;XWGYPAIVDHWXRB-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348750;MM348750;CC(C=O)CN(C=N)C=O;GLRHLIWBTQTFQU-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348751;MM348751;C=C(CO)C(C)C(F)CF;YRZJYPTWBWAMEK-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348752;MM348752;C#CC1(CO)CC(CC)C1;VVCHNRZMZSSMKK-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348753;MM348753;CCC(=O)C(C)C(F)CO;IDOIZMPAQZURSY-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348754;MM348754;C#CC(C)C(C)NCC=C;IDHLXTVCHCXNBL-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348755;MM348755;CC(C(=O)CO)C(F)CF;PBRZWNWKKPOVFC-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348756;MM348756;C#CC(C)C(C)OCC#N;SYMGKCSWYJRSKO-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348757;MM348757;C=C(CC)C(N)C(C)CC;QFNMBXPVVUJQRZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348758;MM348758;C#CC(O)C(C)OCC=O;NANMCAJGCBOLRY-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348759;MM348759;C=C(CO)C(N)C(C)CC;SXTJLFSBADIDMJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348760;MM348760;C#CC(F)C(C)OCC#N;QOHHYMJHLRWHQE-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348761;MM348761;C=C(CN)C(N)C(C)CN;BCSBQWDYSQKTLN-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348762;MM348762;C#CC(F)C(C)ONC=O;QOGVDEBJBGJNDW-UHFFFAOYSA-N;145.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348763;MM348763;C=C(CC)C(N)C(C)CO;PWRGNODHPGANEQ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348764;MM348764;C=C(CF)C(N)C(C)CO;MYAOWVIWWFFFTG-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348765;MM348765;C#CC(C)N(C)CCC=C;QRJPSCQFIYSNDD-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348766;MM348766;C=C(CC)C(N)C(C)CF;WFIHMMSTHWMNAS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348767;MM348767;C#CCCC(C)C(O)C#C;ZYNRQFGBBRKSDV-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348768;MM348768;C=C(CO)C(N)C(N)CC;RAWKUQHOBXNZFE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348769;MM348769;C#CCCC(N)C(O)C#C;RIFQRMLINZNMPA-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348770;MM348770;C=C(CF)C(N)C(N)CC;OCPLBJKTYXJRPM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348771;MM348771;C#CC1(CO)CC(CF)C1;MUQNGACFPJJWIU-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348772;MM348772;C=C(CC)C(N)C(N)CN;CBEXYCCCFONLPY-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348773;MM348773;C#CCCC(O)C(N)C#C;VBCGBFVDAXHQOK-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348774;MM348774;C=C(CC)C(N)C(N)CO;ZBKGCAUTSOAJOQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348775;MM348775;C#CCNC(C)C(N)C#C;NQMZCCAOJGRXKZ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348776;MM348776;C=C(CC)C(N)C(N)CF;RDWPMJPOVWLZLM-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348777;MM348777;C=C(CC)C(C)CCCC;JEYJZDXTBPBOSI-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348778;MM348778;C=C(CC)C(N)C(O)CC;NQGWPBCCYHQMPB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348779;MM348779;C=C(CN)C(C)CCCC;HYAXWWQDGABEKJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348780;MM348780;C=C(CC)C(N)C(O)CN;WWAVDUYOYSPBDO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348781;MM348781;C=C(CN)C(C)CCCN;FLUWTYISICOWSL-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348782;MM348782;C=C(CC)C(N)C(O)CO;UGSINTQWBIFRMS-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348783;MM348783;C#CC1(CO)CC1C(=C)C;LRLOBSPFGJWRKV-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348784;MM348784;C=C(CC)C(N)C(F)CC;GSFAOYKMACMWCC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348785;MM348785;CCCCC(C)C(=O)CC;NXWYGZOSQBYIAH-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348786;MM348786;C=C(CF)C(O)C(C)CN;ZKLAGDSQXIELCQ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348787;MM348787;C=CC1(CC(C)CO)CC1;SFEFQAQVQCHIQN-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348788;MM348788;C=C(CN)C(O)C(C)CO;QVOARJCYYBEDCK-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348789;MM348789;CCC(=O)C(C)CCCF;WKNRPGMATXLZFY-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348790;MM348790;C=C(CN)C(O)C(N)CC;IOVRBZOHUHMHAH-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348791;MM348791;CCCCC(C)C(=O)CO;BEQSGLPHPQIADP-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348792;MM348792;C=C(CF)C(O)C(N)CN;QIGHTKNDWCLJBB-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348793;MM348793;CCCCC(C)C(=O)CF;ZQZZUIZALMXZRE-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348794;MM348794;C=C(CF)C(O)C(N)CO;DUMKVRQUNCOYBW-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348795;MM348795;CC(CCCO)C(=O)CF;VLRXTXKBJHCVIB-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348796;MM348796;C=C(CF)C(O)C(N)CF;AGLVOWQBCRZEAO-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348797;MM348797;CC(CCCF)C(=O)CF;OWZPTHIETWCRKM-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348798;MM348798;C=C(CN)C(O)C(O)CC;AGSXGVSMBZUHIK-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348799;MM348799;C=C(CC)C(N)CCCC;VBLYJIRECMTBNK-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348800;MM348800;C=C(CN)C(O)C(O)CN;VDQJIAXAEAQEGG-UHFFFAOYSA-N;146.19;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348801;MM348801;C=C(CN)C(N)CCCC;BBUHVXPECKAEMC-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348802;MM348802;C=C(CF)C(O)C(O)CN;DUIZMDZRQAUPKJ-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348803;MM348803;C=C(CN)C(N)CCCF;QOMHTLRDXDMKLG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348804;MM348804;C=C(CC)C(O)C(O)CO;GJLDYHVQUCBNJY-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348805;MM348805;C=C(CO)C(N)CCCC;VCVODKVSKOSXPL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348806;MM348806;C=C(CO)C(O)C(O)CF;UAZGOZXDXNRDKP-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348807;MM348807;C=C(CF)C(N)CCCO;BPQYXZBTLWKMOR-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348808;MM348808;CCC(O)C(O)C(=O)CO;VLNMULGCQJQMTL-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348809;MM348809;C=C(CF)C(N)CCCF;ONSPJOUYVGLAQR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348810;MM348810;O=C(CO)C(O)C(O)CO;ZAQJHHRNXZUBTE-UHFFFAOYSA-N;150.13;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348811;MM348811;C=C(CC)C(F)CCCN;QUFAUVXPXPHMFG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348812;MM348812;CCC(=O)C(O)C(O)CF;HOYUOCQDKCQUHS-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348813;MM348813;C=C(CO)C(F)CCCC;FBYWTFNJCGPPNC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348814;MM348814;O=C(CF)C(O)C(O)CF;JHKKCQRZHITFLV-UHFFFAOYSA-N;154.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348815;MM348815;C=C(CF)C(F)CCCN;QFAWLIYRGFGXAI-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348816;MM348816;C=C(CN)C(O)C(F)CC;USFUHPJHDXDPJD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348817;MM348817;CCC(=O)C(C)CCNC;FWIYPOZEIBKRES-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348818;MM348818;C=C(CF)C(O)C(F)CN;GVUUZLYGNHTSHQ-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348819;MM348819;CNCCC(C)C(=O)CF;HIHAWRNDTAKLPU-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348820;MM348820;C=C(CC)C(O)C(F)CO;BZGPYACLQJUVRT-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348821;MM348821;C=C(CF)C(N)CCNC;JEUCKHDUDCIICV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348822;MM348822;C=C(CO)C(O)C(F)CO;VHEHFLKFCWNOAQ-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348823;MM348823;C=C(CF)C(F)CCNC;BAYIKBNCLUDRST-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348824;MM348824;C=C(CF)C(O)C(F)CF;NFZTZVSCHPYDJB-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348825;MM348825;CNCCC(F)C(=O)CO;CLRFKCBKDKXXGH-UHFFFAOYSA-N;149.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348826;MM348826;O=C(CO)C(O)C(F)CO;KSBHTQDJZACVFP-UHFFFAOYSA-N;152.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348827;MM348827;C=C(CN)C(O)CCOC;UYQMCCKAJSIELR-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348828;MM348828;O=C(CF)C(O)C(F)CO;WJOODVRERLMKGN-UHFFFAOYSA-N;154.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348829;MM348829;C=C(CO)C(O)CCOC;CHQGCLHRTNHBRV-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348830;MM348830;C=C(CC)C(F)C(C)CN;LPPZXYMMMGBBKC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348831;MM348831;C=C(CN)C(F)C(C)CN;SSQGJCGOGORWQA-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348832;MM348832;COCCC(O)C(=O)CF;GBALMBDUTSQBTP-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348833;MM348833;C=C(CF)C(F)C(C)CN;RQJMUXILHFNJEI-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348834;MM348834;C=C(CN)C(F)CCOC;FQNSXRVWDHKJLS-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348835;MM348835;C=C(CO)C(F)C(N)CC;AOFSANQLXHZKEY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348836;MM348836;COCCC(F)C(=O)CO;JQHZRNPPVZDRTR-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348837;MM348837;C=C(CF)C(F)C(N)CO;XSNFZPQONDDFNI-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348838;MM348838;CCCCC(C)C(=N)NC;KOMPBMZCTHZUBF-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348839;MM348839;C=C(CF)C(F)C(O)CN;BFOASWINVVHEPB-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348840;MM348840;CCCCC(C)C(=N)NN;YXKJURBHVGBNQV-UHFFFAOYSA-N;143.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348841;MM348841;C=C(CC)C(F)C(O)CO;IIHXRAXXQHXDAM-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348842;MM348842;CC(CCCO)C(=N)NN;LFQMWRZUPATTLE-UHFFFAOYSA-N;145.21;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348843;MM348843;CCC(O)C(F)C(=O)CO;BBCAWKBHKQXLDP-UHFFFAOYSA-N;150.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348844;MM348844;CC(CCCN)C(=N)NO;INKKKQYVHRSYAY-UHFFFAOYSA-N;145.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348845;MM348845;C=C(CN)C(F)C(F)CC;ZCMVEAMZUMTBNE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348846;MM348846;CC(CCCO)C(=N)NO;ZSXYDSMKWRKOGV-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348847;MM348847;C=C(CC)C(F)C(F)CN;MXUBZNKRTYMROD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348848;MM348848;CNC(=O)C(C)CCCN;CAAVNVRMNORXQI-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348849;MM348849;CCC(F)C(F)C(=O)CO;PZNGCOGBZITUNM-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348850;MM348850;CC(CO)CC1(C=O)CC1;YVXFAXAOHSISQM-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348851;MM348851;CCC(C)C(C)C(=N)NN;ROSLWSJAGDDTRM-UHFFFAOYSA-N;143.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348852;MM348852;C#CC=CC(O)C(C)C#C;ZCJYKDDQBYSIJJ-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348853;MM348853;CC(CO)C(C)C(=N)NN;SGFXZGHIJDXHON-UHFFFAOYSA-N;145.21;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348854;MM348854;CCCCC(C)C(=O)NO;JLXVXRXZFUBLPZ-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348855;MM348855;CC(CO)C(C)C(=N)NO;HYPTVSZDDQYPBB-UHFFFAOYSA-N;146.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348856;MM348856;CC(CCCN)C(=O)NO;ZFQNOAHBTXNGEN-UHFFFAOYSA-N;146.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348857;MM348857;CC(F)C(=O)N(C)N;KCSNJZHHQIVFPE-UHFFFAOYSA-N;120.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348858;MM348858;N=C(NO)C(N)CCCO;OBSSTQIJJXHCKC-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348859;MM348859;CCCC1CC(O)C1;LPJXHKYTLWYCMG-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348860;MM348860;CCCCC(N)C(=O)NC;LIWNVVQJSOCDPV-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348861;MM348861;CCC(C)C(C)C(=O)NO;HMUCGZYUAQIBQJ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348862;MM348862;CNC(=N)C(O)CCCO;AMKVRPPSKAZWMM-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348863;MM348863;CNC(=O)C(C)C(C)CF;YKIKBHBMLJJKPZ-UHFFFAOYSA-N;147.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348864;MM348864;CNC(=O)C(O)CCCN;IUPDNSPFJRISOY-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348865;MM348865;CNC(=O)C(C)C(N)CN;QNEXQXZGBMSGCF-UHFFFAOYSA-N;145.21;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348866;MM348866;CNC(=O)C(O)CCCO;PGCUBOWCURXQRH-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348867;MM348867;CCC(O)C(C)C(=N)NN;RDSAZVMTEOVGDE-UHFFFAOYSA-N;145.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348868;MM348868;CNCCC(C)C(=N)NC;WDQYRRXGDNVGPW-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348869;MM348869;CCC(O)C(C)C(=N)NO;FDKFGICBDWOLLJ-UHFFFAOYSA-N;146.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348870;MM348870;CNCCC(C)C(=O)NC;HBKSXVZBZUZWNN-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348871;MM348871;CC(C(=N)NN)C(O)CO;MCSGBRIXKCFJTO-UHFFFAOYSA-N;147.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348872;MM348872;CNCCC(C)C(=O)NO;PFXJMTLTRYYJNK-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348873;MM348873;CC(C(=N)NO)C(O)CO;VKGLRJYTEMVFCM-UHFFFAOYSA-N;148.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348874;MM348874;CNCCC(N)C(=O)NC;RXJINOSKHPVCTF-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348875;MM348875;CNC(=N)C(C)C(O)CF;PCYOYLFDIADHKO-UHFFFAOYSA-N;148.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348876;MM348876;CNCCC(O)C(=O)NN;IZCRWUVYVDGVMS-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348877;MM348877;CNC(=N)C(C)C(F)CO;HDRCEOWOMZQDTE-UHFFFAOYSA-N;148.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348878;MM348878;CNCCC(O)C(=O)NO;MYEFJDNHLKIYSC-UHFFFAOYSA-N;148.16;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348879;MM348879;CNC(=N)C(N)C(N)CN;XGOXQNPQDXRGEU-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348880;MM348880;CNC(=N)C(C)CCOC;AMCQXJNMJPNJCU-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348881;MM348881;N=C(NO)C(N)C(N)CN;WVNSRXIIXKSLKG-UHFFFAOYSA-N;147.18;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348882;MM348882;CNC(=N)C(N)CCOC;ZTLZGEPOGNXBRQ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348883;MM348883;CNC(=N)C(N)C(N)CO;HRIGVSVEVJSTNV-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348884;MM348884;CNC(=N)C(O)CCOC;ITKDWSGVFKWFDL-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348885;MM348885;CCC(N)C(N)C(=O)NC;OGBSGDCMNQRAAI-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348886;MM348886;COCCC(O)C(=N)NN;DTXRNXFHPAACHD-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348887;MM348887;CNC(=O)C(N)C(N)CN;SZPFRYGBBDHQCE-UHFFFAOYSA-N;146.19;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348888;MM348888;COCCC(O)C(=N)NO;FEXOXUXZWVDXJO-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348889;MM348889;CCC(O)C(N)C(=N)NC;VXJNAPJYDKQQIS-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348890;MM348890;CNC(=O)C(O)CCOC;JHVPIYPHTTYVPI-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348891;MM348891;CNC(=N)C(N)C(O)CN;CJOPOWYLPYETJL-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348892;MM348892;CCOCCCC(C)CO;AMYXGIQOXUJDCE-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348893;MM348893;CNC(=N)C(N)C(O)CO;GJACJUJGWZBBAC-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348894;MM348894;COCCC(O)C(=O)NO;DILFCEZZGRBRLV-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348895;MM348895;CNC(=N)C(N)C(O)CF;XWCPLHHQJRVJQY-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348896;MM348896;CNC(=O)C(N)C(O)CN;ZBTVQOXCWZGICT-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348897;MM348897;CC(CO)CCCCC#N;SJVMXXWDVWPXEA-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348898;MM348898;NCC(O)C(N)C(=O)NO;BMUBAEGMWBMHEP-UHFFFAOYSA-N;149.15;-2.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348899;MM348899;CNC(=O)C(F)CCOC;AABYUKIPQHJKDQ-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348900;MM348900;CNC(=N)C(N)C(F)CO;DXVZVDAWQJFNBS-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348901;MM348901;C=C(OC)C(C)CCCC;JTGYAANJXGAZCY-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348902;MM348902;CNC(=N)C(O)C(C)CN;GEOUAFYGZAVOAL-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348903;MM348903;C=C(OC)C(C)CCCN;QEGLIXOWZALJOU-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348904;MM348904;CC(CN)C(O)C(=N)NO;BRYMVZOIOUALBV-UHFFFAOYSA-N;147.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348905;MM348905;C=NNCCCC(C)CO;REARGTALRJQMRY-UHFFFAOYSA-N;144.22;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348906;MM348906;CNC(=N)C(O)C(C)CO;KOEDVNHGXOOMQX-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348907;MM348907;C=C(OC)C(F)CCCN;VDQWJCDJZMNLNI-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348908;MM348908;CNC(=O)C(O)C(C)CN;KUHIXUPUYCUULN-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348909;MM348909;COC(=O)C(F)CCCF;JFLLZIDTSLJDGE-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348910;MM348910;CC(CN)C(O)C(=O)NO;GUVFZMCNMSZXOF-UHFFFAOYSA-N;148.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348911;MM348911;C=C(OC)C(C)CCNC;LIACSLJPHKONRB-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348912;MM348912;C#CC(C#N)N1CC1;UIXYAMGBFRWSGS-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348913;MM348913;C=C(OC)C(O)CCNC;BLHMUIFMEDGFIZ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348914;MM348914;C#CC1C(O)C1CC;WTFIWKUHIHWIBD-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348915;MM348915;C=C(OC)C(F)CCNC;GPFJTRQFFPMSGH-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348916;MM348916;CCC(N)C(O)C(=N)NC;HRGXQTLJJWAEDZ-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348917;MM348917;CNCCC(F)C(=O)OC;XZAUQEKPIQAOQU-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348918;MM348918;CNC(=N)C(O)C(N)CN;XXJLEYGECCOHGK-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348919;MM348919;COCCC(O)C(=O)OC;QRTJEZQSJSURPR-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348920;MM348920;N=C(NO)C(O)C(N)CN;RJMSJBXUQFRBMP-UHFFFAOYSA-N;148.17;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348921;MM348921;C=C(CC)C(C)CNCC;DOGSLXNUSCSWEK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348922;MM348922;CNC(=N)C(O)C(N)CO;BBOSMGIWUQFEFY-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348923;MM348923;C=C(CC)C(N)CNCC;JBBPVISTSPOAKY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348924;MM348924;CCC(N)C(O)C(=O)NC;MBOSCDDDSUZJAG-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348925;MM348925;CCNCC(O)C(=O)CF;OVBDRXKCKLECOY-UHFFFAOYSA-N;149.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348926;MM348926;CNC(=O)C(O)C(N)CN;KPESLNYPHHZKCI-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348927;MM348927;C=C(CC)C(F)CNCC;DXWOJLRFXNYNLR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348928;MM348928;CCC(O)C(O)C(=N)NC;RHXSPQFPOBUKLY-UHFFFAOYSA-N;146.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348929;MM348929;CCNCC(C)C(=N)NC;LLSLJLPBZDUDME-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348930;MM348930;CCC(O)C(O)C(=N)NN;WMXBISVSRPSQAE-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348931;MM348931;CCNCC(C)C(=N)NO;QGPZFPDUFCKJEV-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348932;MM348932;CNC(=N)C(O)C(O)CN;BKYBXVFNLVMHLZ-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348933;MM348933;CCNCC(C)C(=O)NC;QGCNAWLBEMQFOP-UHFFFAOYSA-N;144.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348934;MM348934;N=C(NO)C(O)C(O)CN;CFKFJHSGRWLNRW-UHFFFAOYSA-N;149.15;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348935;MM348935;CCNCC(C)C(=O)NO;OATNCDFNGPSUFA-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348936;MM348936;CNC(=N)C(O)C(O)CO;NZUGMMVQFRKFFW-UHFFFAOYSA-N;148.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P3";;;;;;;-3.08;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348937;MM348937;CCNCC(N)C(=N)NC;KRUIKIAGHVIQRQ-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348938;MM348938;N=C(NN)C(O)C(O)CO;PXOOARFPBITAJJ-UHFFFAOYSA-N;149.15;-2.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348939;MM348939;CCNCC(O)C(=N)NC;ZJBBBXJYYOQGCQ-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348940;MM348940;CNC(=N)C(O)C(O)CF;CTLNOMRAEWFITC-UHFFFAOYSA-N;150.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348941;MM348941;CCNCC(O)C(=O)NC;TZVDRAXIIPYHLU-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348942;MM348942;N=C(NN)C(O)C(O)CF;JVUVULMUZZTRAA-UHFFFAOYSA-N;151.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348943;MM348943;C=C(OC)C(N)CNCC;MIBPFKCQXKYCIZ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348944;MM348944;CCC(O)C(O)C(=O)NC;JMBOBANALQPDGN-UHFFFAOYSA-N;147.17;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348945;MM348945;CCNCC(O)C(=O)OC;YPRQBYYXJFJCMQ-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348946;MM348946;CCC(O)C(O)C(=O)NN;XDSNYBRRELMQMD-UHFFFAOYSA-N;148.16;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348947;MM348947;C=C(CN)C(C)COCC;OELNKDUECSUYKC-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348948;MM348948;CCC(O)C(O)C(=O)NO;KLEZBNRBTFYRJC-UHFFFAOYSA-N;149.15;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348949;MM348949;C=C(CO)C(C)COCC;IOXQETSSPNURAE-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348950;MM348950;CNC(=O)C(O)C(O)CN;BFOUUCKHDXSBQE-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348951;MM348951;CCOCC(C)C(=O)CO;AQRPLEHSVKKOAI-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348952;MM348952;NCC(O)C(O)C(=O)NO;IAMQRRCQIFWELO-UHFFFAOYSA-N;150.13;-2.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348953;MM348953;C=C(CC)C(N)COCC;RUVBZDWPPHEEMB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348954;MM348954;CNC(=O)C(O)C(O)CO;WPYAMWUCTSKTJB-UHFFFAOYSA-N;149.15;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348955;MM348955;C=C(CO)C(O)COCC;HIIORRNUVWBVTP-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348956;MM348956;NNC(=O)C(O)C(O)CO;DABFVTGKRSUBNK-UHFFFAOYSA-N;150.13;-3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348957;MM348957;C=C(CF)C(O)COCC;OFGZFLRGKPCASJ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348958;MM348958;O=C(NO)C(O)C(O)CO;SJYJPXDRLWCEKB-UHFFFAOYSA-N;151.12;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348959;MM348959;CCOCC(O)C(=O)CO;OCNNOAGFYOMWCX-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348960;MM348960;CNC(=O)C(O)C(O)CF;VGXBJSIGAKJGKY-UHFFFAOYSA-N;151.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348961;MM348961;CCOCC(C)C(=N)NC;UILLZYPGTMBMHA-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348962;MM348962;NNC(=O)C(O)C(O)CF;DVKQIXRKHIEOEA-UHFFFAOYSA-N;152.13;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348963;MM348963;CCOCC(N)C(=N)NC;OQPUMRPFUIHKPM-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348964;MM348964;O=C(NO)C(O)C(O)CF;PILUTWGMIQUNFF-UHFFFAOYSA-N;153.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348965;MM348965;CCC(F)C(O)C(=N)NC;SZCNEWJGQHDROD-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348966;MM348966;CCOCC(O)C(=N)NN;KSILAECYCUTGLW-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348967;MM348967;CNC(=N)C(O)C(F)CN;DOEDAYZSFUEINY-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348968;MM348968;CCOCC(O)C(=O)NC;HOMGAEBXMOEOLY-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348969;MM348969;N=C(NN)C(O)C(F)CO;BHVBQQGJMWHLPQ-UHFFFAOYSA-N;151.14;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348970;MM348970;CC=CCCCC(C)CO;TUQBHGJPQDIVDF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348971;MM348971;NNC(=O)C(O)C(F)CO;CAEJOGVOMJOYDX-UHFFFAOYSA-N;152.13;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348972;MM348972;CCOCC(O)C(=O)NO;VVZRHFUBXXYIKW-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348973;MM348973;CCC(C)C(F)C(=O)NN;UGYFKQONXNEEAI-UHFFFAOYSA-N;148.18;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348974;MM348974;C=C(CC)C(C)NCCC;YVAVWLHEVZLMCJ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348975;MM348975;C=CC=C1C=CC(O)C1;HXAPFUKBGVYHMB-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348976;MM348976;C=C(CC)C(C)NCCO;CEIQVXGBYODIGQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348977;MM348977;O=CC=C1C=CC(O)C1;AEMMWULNSWGDQF-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348978;MM348978;C=C(CC)C(C)NCCF;OFSQGMKSPVGIGX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348979;MM348979;CNC(=N)C(F)C(O)CN;QWQOFGPTQKORHM-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348980;MM348980;C=C(CN)C(C)NCCC;IGQSWAHOLRWINK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348981;MM348981;C#CCC1=CC(O)CC1;GLHMAKXARNMDFR-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348982;MM348982;C=C(CN)C(C)NCCF;LQILPADAZGLYLT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348983;MM348983;CNC(=O)C(F)C(O)CN;VLQUNOKLAOTUGW-UHFFFAOYSA-N;150.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348984;MM348984;C=C(CO)C(C)NCCN;KXZBXAZYNHNOEG-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348985;MM348985;NCC(O)C(F)C(=O)NO;QUXMHBGQJCLRPD-UHFFFAOYSA-N;152.13;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348986;MM348986;C=C(CF)C(C)NCCN;ZNJRYUFOETYGSW-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348987;MM348987;O=C(NO)C(F)C(O)CO;MDIQKCWHIICXEB-UHFFFAOYSA-N;153.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348988;MM348988;C=C(CF)C(C)NCCO;KPADVAXPLGDEHX-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348989;MM348989;CCC(F)C(F)C(=O)NN;HSEHUOQTSRJUJN-UHFFFAOYSA-N;152.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348990;MM348990;CCCNC(C)C(=O)CC;CCWUDHVLXHFUSB-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348991;MM348991;C=C(OC)C(C)C(C)CC;UUFBABRVCBYFRW-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348992;MM348992;CCCNC(C)C(=N)NO;WHQNNXSVMCXIAD-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348993;MM348993;CCC(C)C(C)C(=O)OC;YSXGGWIXNLJFTM-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348994;MM348994;CCCOC(C)C(=O)CC;PWCKWYDRLNKMJW-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348995;MM348995;COC(=O)C(C)C(C)CN;HIXXTYFVGLKCPA-UHFFFAOYSA-N;145.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348996;MM348996;CC(OCCF)C(=O)CO;XNWCTLOEWZSJAQ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348997;MM348997;COC(=O)C(C)C(C)CO;WPOAHSLVUFXKDF-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348998;MM348998;CC(OCCO)C(=O)CF;CPQJKPHFRNLMJU-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM348999;MM348999;C=C(OC)C(C)C(N)CC;AOPCXMTUVNFJKI-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349000;MM349000;C=C(CN)C(C)OCOC;ITRNVVJQVVQKKN-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349001;MM349001;C=C(OC)C(C)C(O)CC;IPZQLVYMGPEOGO-UHFFFAOYSA-N;144.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349002;MM349002;CCCOC(C)C(=N)NC;OPBBIPPNADMINT-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349003;MM349003;C=C(OC)C(C)C(O)CO;SITVGTUJAOGPPX-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349004;MM349004;CCC(O)C(C)C(=O)OC;DPSANHWICFQPHY-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349005;MM349005;CNC(=N)C(C)OCCN;XXWYENQGQZTFTI-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349006;MM349006;COC(=O)C(C)C(O)CF;DMTXBBHRTNTKDU-UHFFFAOYSA-N;150.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349007;MM349007;CNC(=N)C(C)OCCO;GYYLNBCTBBTANY-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349008;MM349008;CCC(F)C(C)C(=O)OC;JMRQHHGQZYNZNZ-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349009;MM349009;CNC(=N)C(C)OCCF;BTMCJGIZGRAXFH-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349010;MM349010;COC(=O)C(C)C(F)CN;CXTKNIUSQWHSNQ-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349011;MM349011;CCCOC(C)C(=N)NN;SVKBTOOMMWJNFT-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349012;MM349012;C=C(OC)C(N)C(C)CN;QNRZEGWKHAQQKH-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349013;MM349013;CCCOC(C)C(=N)NO;PIKYHGGICVLLBM-UHFFFAOYSA-N;146.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349014;MM349014;C=C(OC)C(N)C(N)CC;USQVVLNMUDCSJA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349015;MM349015;CC#CCCCC(C)CO;BQTNWGYDGCTVDM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349016;MM349016;C=C(OC)C(O)C(C)CN;ABHATYOTVJSXEI-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349017;MM349017;CCCOC(C)C(=O)NO;JLWNORWALXZKNC-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349018;MM349018;C=C(OC)C(O)C(N)CC;GSDZBMYFLRUKPT-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349019;MM349019;CNC(=N)C(C)OCOC;TYPKLGSADJALKM-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349020;MM349020;C=C(OC)C(O)C(N)CN;AGZGJNHJUISEBT-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349021;MM349021;CCC(=N)N(C)CCCN;UWGZDMOZYPRTRW-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349022;MM349022;COC(=O)C(O)C(N)CN;FSTPTLAJJVPWCS-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349023;MM349023;CN(CCCN)C(=N)CO;GDWBNDNVEPEXDI-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349024;MM349024;C=C(OC)C(O)C(O)CO;RVLKNKYGIJPLHY-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349025;MM349025;CN(CCCO)C(=N)CO;JVTWFKRDRFRGKX-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349026;MM349026;C=C(OC)C(O)C(O)CF;JDTVTHAQSRQXCV-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349027;MM349027;CCCCN(C)C(=O)CC;DGCYOFPKGDOWGY-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349028;MM349028;CCC(O)C(O)C(=O)OC;PMBZZBIURKJQJN-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349029;MM349029;CCC(=O)N(C)CCCF;RYPDTWXXKXCKBL-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349030;MM349030;COC(=O)C(O)C(O)CN;SPWKLEFMEPQNLQ-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349031;MM349031;CN(CCCN)C(=O)CO;WZVNVCBKLIQRLE-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349032;MM349032;COC(=O)C(O)C(O)CO;JRKCFAXJYUOVCL-UHFFFAOYSA-N;150.13;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349033;MM349033;CN(CCCF)C(=O)CO;AZGIKXQMPQPUOJ-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349034;MM349034;C=C(OC)C(O)C(F)CN;WGKWSSUMRZGCTQ-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349035;MM349035;CC(C=O)CC=NN=CN;HDDHHMWZMQMVDV-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349036;MM349036;C=C(OC)C(O)C(F)CO;SXVGAYZHFSXCTC-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349037;MM349037;N=C(CO)N(O)CCCN;BBFBNZOOALRDBF-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349038;MM349038;C=C(OC)C(O)C(F)CF;GYSHKKKGWGAJPQ-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349039;MM349039;CNCCN(C)C(=N)CO;YKISSJNFSHHDEW-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349040;MM349040;C=C(OC)C(F)C(C)CN;WGALTQKABSWKAD-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349041;MM349041;CNCCN(C)C(=O)CF;NXCFPNJYBWLJIA-UHFFFAOYSA-N;148.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349042;MM349042;COC(=O)C(F)C(C)CF;KREVHIIDHQHURW-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349043;MM349043;CNCCN(N)C(=N)CF;RVKWIEAAWNYCME-UHFFFAOYSA-N;148.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349044;MM349044;C=C(OC)C(F)C(N)CO;MVPYZLKMHUNGPX-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349045;MM349045;CCC(=N)N(C)CCOC;AUHHURAWXNCQOV-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349046;MM349046;C=C(OC)C(F)C(O)CN;RIQFHDFULOQDBX-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349047;MM349047;COCCN(C)C(=N)CO;SIQWUXGKKJXKHJ-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349048;MM349048;C=C(OC)C(F)C(O)CO;WWDMGXHRSYKAQA-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349049;MM349049;COCCN(N)C(=N)CO;VNXVEJGVFVRCPQ-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349050;MM349050;C=C(OC)C(F)C(O)CF;BUFRJXIXZXGNNX-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349051;MM349051;CCC(=O)N(N)CCOC;GTQIDIXQHPOSNC-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349052;MM349052;C=C(OC)C(F)C(F)CO;YEZRDQAKOKHYSW-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349053;MM349053;CC#CC=NOC(C)C=O;AOFYBKKMGTZUIU-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349054;MM349054;C=C(CC)C(C)C(C)NC;COVCLTJDKJXLEG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349055;MM349055;CNC(=N)N(C)CCCN;QHQSZCZNQMJRDX-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349056;MM349056;C=C(CF)C(C)C(C)NC;JSZIPBPUDJEMAO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349057;MM349057;CNC(=N)N(C)CCCO;ACJHHTKUCGYPIH-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349058;MM349058;CNC(C)C(C)C(=O)CF;PJDCYEAVEWYVOQ-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349059;MM349059;CN(CCCO)C(=N)NN;YFDFDKLVRKQYOU-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349060;MM349060;C=C(CO)C(N)C(C)NC;WPVKFRMFQJHEDQ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349061;MM349061;CN(CCCN)C(=N)NO;XIORIBONSJNEPU-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349062;MM349062;C=C(CF)C(N)C(C)NC;ADWPJTZBDGHNEU-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349063;MM349063;CN(CCCO)C(=N)NO;CJWLMJNGTMCKGQ-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349064;MM349064;CCC(=O)C(O)C(C)NC;MCQFKQADPXTBFQ-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349065;MM349065;CNC(=O)N(C)CCCN;CICQCLHQISNKGX-UHFFFAOYSA-N;145.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349066;MM349066;CNC(C)C(O)C(=O)CO;FBFKKMCSWHPZLO-UHFFFAOYSA-N;147.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349067;MM349067;CNC(=O)N(C)CCCO;QEDPOBBPBCBZNF-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349068;MM349068;C=C(CC)C(F)C(C)NC;ZZYYKLSOKDWAKM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349069;MM349069;CCC(O)CC#CCOC;LVAZEEHPSKHYEE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349070;MM349070;CNC(=N)C(C)C(C)NC;BDCVCZXTXRPQPN-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349071;MM349071;CNC(=N)N(N)CCCO;PWPGSBTWQFUJEC-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349072;MM349072;CNC(C)C(C)C(=O)NO;DXJSTTGJDSMUMN-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349073;MM349073;N=C(NN)N(N)CCCO;PANVIBRACRKWDU-UHFFFAOYSA-N;147.18;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349074;MM349074;CNC(=N)C(O)C(C)NC;WJLHAOYWHNQEHE-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349075;MM349075;CC#CC(OC)ON=CC;QPBBYVJDORQDLT-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349076;MM349076;CNC(C)C(O)C(=N)NN;OVTFSZDDYYWPBP-UHFFFAOYSA-N;146.19;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349077;MM349077;NN(CCCF)C(=O)NO;POPUAZMKZLWVBP-UHFFFAOYSA-N;151.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349078;MM349078;CNC(C)C(O)C(=N)NO;VLQQZXAJHZMUMW-UHFFFAOYSA-N;147.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349079;MM349079;CNC(=N)N(O)CCCO;MAIXBWLJWISKNE-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349080;MM349080;CNC(C)C(O)C(=O)NN;QVKXVDFDRQJIMO-UHFFFAOYSA-N;147.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349081;MM349081;N=C(NN)N(O)CCCO;OTIBFGFAFZKEQF-UHFFFAOYSA-N;148.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349082;MM349082;C=C(OC)C(C)C(C)NC;XPULRPSYPHIDLP-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349083;MM349083;CNC(=O)N(O)CCCN;MRCBCCWGVYYUBG-UHFFFAOYSA-N;147.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349084;MM349084;C=C(OC)C(N)C(C)NC;AWZXTDLTCCBVMA-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349085;MM349085;CNC(=O)N(O)CCCO;BCQXMSLICGCSIN-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349086;MM349086;C=C(CO)C(C)C(C)OC;XMPWVHTYIZRUQG-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349087;MM349087;CNC(=O)N(O)CCCF;GHKVOTNOIUDWKJ-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349088;MM349088;C=C(CC)C(N)C(C)OC;TZBMJPGZAUZSNK-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349089;MM349089;NNC(=O)N(O)CCCO;WFKCWOVJBNRNMZ-UHFFFAOYSA-N;149.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349090;MM349090;C=C(CN)C(N)C(C)OC;AIMPNRUMYKSDIK-UHFFFAOYSA-N;144.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349091;MM349091;NNC(=O)N(O)CCCF;QJJMDYYUJTWUFH-UHFFFAOYSA-N;151.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349092;MM349092;C=C(CO)C(O)C(C)OC;YLOMBXWSPVTWDC-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349093;MM349093;NCCCN(O)C(=O)NO;PWMHHZXMUSBXNO-UHFFFAOYSA-N;149.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349094;MM349094;COC(C)C(C)C(=O)NO;NFMJTUODVMELKI-UHFFFAOYSA-N;147.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349095;MM349095;O=C(NO)N(O)CCCO;MMLDXNNMGQPRFE-UHFFFAOYSA-N;150.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349096;MM349096;CNC(=N)C(N)C(C)OC;VEOPBYQJULNPLT-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349097;MM349097;CNCCN(C)C(=N)NC;SQPCMFZVSMFRLW-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349098;MM349098;COC(C)C(O)C(=N)NN;VDSBEWDWHXGIAV-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349099;MM349099;CNCCN(C)C(=O)NC;AMVKVZQXQBSXMF-UHFFFAOYSA-N;145.21;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349100;MM349100;CNC(=O)C(O)C(C)OC;KSMWXXXENCQFPI-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349101;MM349101;CNCCN(C)C(=O)NN;AVOJXCDMIKBOAC-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349102;MM349102;CCc1[nH]nc(F)c1N;ITUWDBIGGOMHFC-UHFFFAOYSA-N;129.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349103;MM349103;CNCCN(C)C(=O)NO;IAIIXFHLKANSHW-UHFFFAOYSA-N;147.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349104;MM349104;COC(C)C(O)C(=O)NO;BNYPDXGUYWFMJT-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349105;MM349105;CNCCN(N)C(=N)NC;OVOHUHAXSDZRAN-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349106;MM349106;COC(C)C(F)C(=N)NN;AGALVVWFJDAQJO-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349107;MM349107;CNCCN(N)C(=N)NO;BTWPKAANYZSVMX-UHFFFAOYSA-N;147.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349108;MM349108;C=C(OC)C(O)C(C)OC;MQHCZSRKFBEEKV-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349109;MM349109;CNCCN(N)C(=O)NC;BYJRDWRNGUOJGB-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349110;MM349110;C=C(CN)C(C)N(C)CC;ZQFXFOOFZWUTLL-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349111;MM349111;CNCCN(N)C(=O)NN;BMLWKBPWBQOSGQ-UHFFFAOYSA-N;147.18;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349112;MM349112;C=C(CF)C(C)N(C)CC;XLLKHOXWCPVZSM-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349113;MM349113;CNCCN(N)C(=O)NO;VFIHOBPEHRFONQ-UHFFFAOYSA-N;148.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349114;MM349114;CCN(C)C(C)C(=N)NC;KGMKNQPVZSMKDM-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349115;MM349115;CNCCN(O)C(=N)NC;QLRLLVNFSNEWJL-UHFFFAOYSA-N;146.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349116;MM349116;CCN(C)C(C)C(=N)NO;SFXTZTVGNXDZLI-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349117;MM349117;CNCCN(O)C(=N)NN;PIURYHMMPPWCBS-UHFFFAOYSA-N;147.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349118;MM349118;CCC(C)N(C)C(=N)CO;JOPXFZQGYOZHDP-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349119;MM349119;CNCCN(O)C(=N)NO;KVVAEMDIUQMNBU-UHFFFAOYSA-N;148.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349120;MM349120;CC(CO)N(C)C(=N)CO;OSACCMRNILSJEA-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349121;MM349121;CNCCN(O)C(=O)NC;UQIDEQRIMYKMSG-UHFFFAOYSA-N;147.18;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349122;MM349122;CCC(=O)N(C)C(C)CC;CIEDHEOBHSBEDK-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349123;MM349123;CNCCN(O)C(=O)NN;NCIXIRZLYGQDEK-UHFFFAOYSA-N;148.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349124;MM349124;CCC(C)N(C)C(=O)CO;BLKIDNZLWBGDRW-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349125;MM349125;CNC(=N)N(C)CCOC;ZHIUBGDJRIJRNW-UHFFFAOYSA-N;145.21;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349126;MM349126;CCC(=O)N(C)C(C)CN;CYWGLAIRQGDPIA-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349127;MM349127;COCCN(C)C(=N)NN;METBASGBKQUICS-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349128;MM349128;CC(CO)N(C)C(=O)CF;LATLNIOINXQXEB-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349129;MM349129;COCCN(C)C(=N)NO;VBEXWEDWIXYGAJ-UHFFFAOYSA-N;147.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349130;MM349130;CCC(C)N(N)C(=N)CO;OMOICDCRAOOAOS-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349131;MM349131;CNC(=O)N(C)CCOC;GZMFAUBLQUKJJR-UHFFFAOYSA-N;146.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349132;MM349132;CC(CO)N(N)C(=N)CO;JEDXKDRGFQPJBQ-UHFFFAOYSA-N;147.18;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349133;MM349133;C=NOC(=NNC=N)NN;ZBLXJVUJAWXUFY-UHFFFAOYSA-N;144.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349134;MM349134;CNN=CNOCC=O;TYDXXFTVJYMIGP-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349135;MM349135;COCCN(C)C(=O)NO;NLZDNIZMMDTTSZ-UHFFFAOYSA-N;148.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349136;MM349136;C=NN=CNOCC=O;HAZUHCOZGPKSHP-UHFFFAOYSA-N;129.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349137;MM349137;CNC(=N)N(N)CCOC;YESCGHAMJPCIQX-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349138;MM349138;CCC(=N)N(O)C(C)CO;QRZFMGFVVMXTFF-UHFFFAOYSA-N;146.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349139;MM349139;COCCN(N)C(=N)NN;RUYVBQFOZKVQHQ-UHFFFAOYSA-N;147.18;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349140;MM349140;C#CC1NC1CCC=O;PGKAXCZXUIGDGK-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349141;MM349141;COCCN(N)C(=N)NO;ICBFBHGUFWWGPS-UHFFFAOYSA-N;148.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349142;MM349142;CCC(C)N(C)C(=N)NC;PHNDSGUSWPMCQR-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349143;MM349143;C#CC1(CO)CC1CC=C;RCQOWUCEMNDKHM-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349144;MM349144;CCC(C)N(C)C(=N)NN;XMQMBWQHWNWLEK-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349145;MM349145;C#CC1(C#C)CN1CC=O;KXOZJCYBHIRYHQ-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349146;MM349146;COCCN(N)C(=O)NO;UALWWVIUMSCQKM-UHFFFAOYSA-N;149.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349147;MM349147;CCC(C)N(C)C(=N)NO;HSQHHXAQONKREF-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349148;MM349148;CNC(=N)N(O)CCOC;GRVXNUIHDOCUKH-UHFFFAOYSA-N;147.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349149;MM349149;CNC(=N)N(C)C(C)CO;OQSDOYQQPRXAMD-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349150;MM349150;COCCN(O)C(=N)NN;OXKJVQNFQNFPBE-UHFFFAOYSA-N;148.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349151;MM349151;CC(CO)N(C)C(=N)NO;XEZAYMOHBUKOCT-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349152;MM349152;CNC(=O)N(O)CCOC;AEEJUYIIOLMSSD-UHFFFAOYSA-N;148.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349153;MM349153;CNC(=N)N(C)C(C)CF;CRZUNOKTCDPAGM-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349154;MM349154;COCCN(O)C(=O)NN;IEVZPKNHKLKKRJ-UHFFFAOYSA-N;149.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349155;MM349155;CC(CF)N(C)C(=N)NN;BHEAFHLPPHDSGC-UHFFFAOYSA-N;148.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349156;MM349156;COCCN(O)C(=O)NO;BAWSPIRFDBSPRP-UHFFFAOYSA-N;150.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349157;MM349157;CC(CF)N(C)C(=N)NO;BCGRGIUNIMBXNS-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349158;MM349158;CCCCN(C)C(=N)OC;BFAZLICYVSACEK-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349159;MM349159;CNN=CC(F)C(C)(F)F;JJSMCBMWKLLZCP-UHFFFAOYSA-N;154.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349160;MM349160;COC(=N)N(C)CCCN;PEOFJPQUDSQKJL-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349161;MM349161;CNC(=O)N(C)C(C)CN;ZIPVKKGLKGDFMW-UHFFFAOYSA-N;145.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349162;MM349162;COC(=N)N(O)CCCN;YXPITALBEZJPOR-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349163;MM349163;CC(CO)N(C)C(=O)NO;INKXOAGHCZOFAP-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349164;MM349164;CNCCN(N)C(=O)OC;ZISJJZXTTHFSAS-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349165;MM349165;CC(CF)N(C)C(=O)NO;WPUMEKJNAZRZGH-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349166;MM349166;COCCN(N)C(=O)OC;KMQXYZSGDILMDB-UHFFFAOYSA-N;148.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349167;MM349167;CCC(C)N(N)C(=N)NC;PTNFVHODCNOIQY-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349168;MM349168;C=CC(O)CCC1CC1C;QOOIWLGOCXLOON-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349169;MM349169;CC(CO)N(N)C(=N)NN;OYXRAHVNUGUPTB-UHFFFAOYSA-N;147.18;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349170;MM349170;CCCNN(C)C(=N)CC;LWJBLBNIXUPPPM-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349171;MM349171;CC(CO)N(N)C(=N)NO;HNMCUWOCHXSWDD-UHFFFAOYSA-N;148.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349172;MM349172;CCC(=N)N(C)NCCF;NJLCKBGTKWAUIA-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349173;MM349173;CCC(C)N(N)C(=O)NO;AXUNCKSCHONCEX-UHFFFAOYSA-N;147.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349174;MM349174;CN(NCCO)C(=N)CO;SCDXXFKTTXYTDH-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349175;MM349175;CN(NCCF)C(=N)CO;IADZCZSZAPUNDE-UHFFFAOYSA-N;149.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349176;MM349176;C#CC#CCC(O)CC=C;DHURQFHRQKVVAJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349177;MM349177;CCC(=O)N(C)NCCF;UVUVHWRNZKODNW-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349178;MM349178;C=C(C=NOCC)CC=O;HDWPBWUPYSBHCX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349179;MM349179;CCCNN(C)C(=N)NC;HELVYNNQZHSWSB-UHFFFAOYSA-N;144.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349180;MM349180;CC(CO)N(N)C(=O)NO;KAHHWDHELBCCNV-UHFFFAOYSA-N;149.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349181;MM349181;CNC(=N)N(C)NCCN;MMOCVERUFCOUIQ-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349182;MM349182;C#CCC#CCC(C)CO;GCFTWHCUIDZROA-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349183;MM349183;CNC(=N)N(C)NCCO;RAUISCQKDVGKHL-UHFFFAOYSA-N;146.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349184;MM349184;CC(CF)N(N)C(=O)NO;WRNWWMCEUZBROE-UHFFFAOYSA-N;151.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349185;MM349185;CN(NCCO)C(=N)NN;DSIHEAJJAZIRGH-UHFFFAOYSA-N;147.18;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349186;MM349186;CNC(=N)N(O)C(C)CN;ISZMKNIKNHPTCN-UHFFFAOYSA-N;146.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349187;MM349187;CN(NCCN)C(=N)NO;ACVFTYIQZOLEEA-UHFFFAOYSA-N;147.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349188;MM349188;CC(CN)N(O)C(=N)NO;HWUDRSKYFYXDQD-UHFFFAOYSA-N;148.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349189;MM349189;CN(NCCO)C(=N)NO;CMNZBJBQPXUYPR-UHFFFAOYSA-N;148.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349190;MM349190;CNC(=N)N(O)C(C)CO;OIDBTZSTMYPCLV-UHFFFAOYSA-N;147.18;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349191;MM349191;CNC(=O)N(C)NCCN;MDTVKCRCPHNUAR-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349192;MM349192;CC(CO)N(O)C(=N)NN;MFOHPFJQSMATJG-UHFFFAOYSA-N;148.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349193;MM349193;C=Cc1n[nH]c(C=C)c1N;BBWPKDUNNNXTCF-UHFFFAOYSA-N;135.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349194;MM349194;CNC(=O)N(O)C(C)CN;ZMPLFMNFPDITTB-UHFFFAOYSA-N;147.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349195;MM349195;CCC(C=O)C1C(C)N1C;QTLUSEYCJVDXDI-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349196;MM349196;CNC(=O)N(O)C(C)CO;YZXMMWGHAWBIAM-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349197;MM349197;CC(C)(C)CCO;DUXCSEISVMREAX-UHFFFAOYSA-N;102.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349198;MM349198;CNC(=O)N(O)C(C)CF;YTRNQMYNQULZLC-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349199;MM349199;C=C(C=CC)C(C)O;YIBJDUVOAXRVCY-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349200;MM349200;CC(CF)N(O)C(=O)NN;CJQUZYXMJUVLJH-UHFFFAOYSA-N;151.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349201;MM349201;CN(NCCN)C(=O)NO;PFRARSZGEVZXLC-UHFFFAOYSA-N;148.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349202;MM349202;CCN(CC=O)N(C)C=O;XHDAAWJHSHJQLN-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349203;MM349203;CN(NCCO)C(=O)NO;XUVGRSOCSJAQRC-UHFFFAOYSA-N;149.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349204;MM349204;CC=CC(CO)CCC#N;LUQSXUMXMLFIQR-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349205;MM349205;CCCON(C)C(=N)CC;ALTGDHWVDLZKQK-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349206;MM349206;C=CC(=C)C(C)C(C)CC;QIORSCKBFVGBMP-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349207;MM349207;CCC(=N)N(C)OCCO;PCPCTIDITHSRAD-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349208;MM349208;C=C(C=O)C(C)C(C)CC;HXDJORXKHQFPSI-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349209;MM349209;C=C(C#N)C(C)C(C)CC;NKWXGPVIWBWSHE-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349210;MM349210;CCCON(C)C(=N)CN;HNVHHSJVQOKLFC-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349211;MM349211;C=CC(=C)C(C)C(C)CN;INXMEHPRLQCUBK-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349212;MM349212;CCC(=O)N(C)OCCO;WRHWTAVKMPBSTF-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349213;MM349213;C=CC(C=NN=C)CC=O;BAPPPJKOQDPKGD-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349214;MM349214;CN(OCCO)C(=O)CO;HMFAAJJLPLGMJG-UHFFFAOYSA-N;149.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349215;MM349215;C#CC(C=O)C=NOCC;ITMLNCKTOVGQKG-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349216;MM349216;COCON(C)C(=O)CF;KEOIVYHQOAKBNV-UHFFFAOYSA-N;151.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349217;MM349217;C=CC(=C)C(C)C(C)CF;WJHXYNSACKOYGB-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349218;MM349218;CNC(=N)N(C)OCCN;NFKFXRADMPQZHE-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349219;MM349219;C=C(C=O)C(C)C(C)CF;TZIIRSYCFYDVPZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349220;MM349220;CNC(=N)N(C)OCCO;LUKOYUGPWZOIAE-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349221;MM349221;C=CC(=O)C(C)C(C)CC;BQRCTKCTRKAOKA-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349222;MM349222;CN(OCCO)C(=N)NN;FDSOQVLQKMIHRD-UHFFFAOYSA-N;148.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349223;MM349223;CCC(C)C(C)C(=O)C#N;PDPOWXJVXWWDBL-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349224;MM349224;CN(OCCN)C(=N)NO;NYHQREHOEYOTRZ-UHFFFAOYSA-N;148.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349225;MM349225;C=CC(=O)C(C)C(C)CO;VJYPYQVWUSNWQH-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349226;MM349226;CN(OCCO)C(=N)NO;CJVVCFXFUUZKEZ-UHFFFAOYSA-N;149.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349227;MM349227;C=CC(=O)C(C)C(C)CF;ICWIRFJPNPXESZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349228;MM349228;CNC(=O)N(C)OCCN;MKGHVKBUYHOINT-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349229;MM349229;C=CC(=C)C(C)C(N)CC;LASQDAMOMZDEMU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349230;MM349230;CNC(=O)N(C)OCCF;BVVOOSCHDAZUNY-UHFFFAOYSA-N;150.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349231;MM349231;C=CC(=C)C(C)C(N)CF;OSRMYZQMGIXRKC-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349232;MM349232;C#CCCC(O)C=C;QFXQOFFAIPZOSD-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349233;MM349233;N#Cc1nc(NC=N)no1;FQZJMKSTLMOCJN-UHFFFAOYSA-N;137.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349234;MM349234;C=CC=CC(C)CO;HQRVGYKCNTZKGM-UHFFFAOYSA-N;112.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349235;MM349235;C=C(C=O)C(C)C(O)CC;WBALIADUSUXSJL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349236;MM349236;CN(OCCN)C(=O)NO;KCRZAZACWPJXJH-UHFFFAOYSA-N;149.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349237;MM349237;C=C(C#N)C(C)C(O)CC;AGWCVYVUOAXDQU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349238;MM349238;CN(OCCO)C(=O)NO;YZCUFKXSUHIECV-UHFFFAOYSA-N;150.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349239;MM349239;C=C(C#N)C(C)C(O)CO;WJLGVUYDTISUOW-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349240;MM349240;CN(OCCF)C(=O)NO;FDTGGNGDAZZDOI-UHFFFAOYSA-N;152.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349241;MM349241;C=CC(=C)C(C)C(O)CF;SIWSZKWMINCZMB-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349242;MM349242;CNC(=N)N(C)OCOC;MOTZQAFIKZUSIF-UHFFFAOYSA-N;147.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349243;MM349243;C=C(C#N)C(C)C(O)CF;BYSHICNBBDHCNK-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349244;MM349244;CCCON(C)C(=O)OC;YEMADDIYGVJOQQ-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349245;MM349245;C=CC(=O)C(C)C(O)CC;LBJBPECPKDTUIY-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349246;MM349246;COC(=O)N(C)OCCF;RJRDMPOLNKEYLP-UHFFFAOYSA-N;151.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349247;MM349247;CC(C(=O)C=O)C(O)CO;HCLJPQHOTSCKQE-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349248;MM349248;C=CCCC(C)C(=C)CC;BCWKQGSWBIGGIV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349249;MM349249;CC(C(=O)C#N)C(O)CF;RZWZLJFQQZCKDJ-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349250;MM349250;C=C(CC)C(C)CCC#N;GZVORSZTRCTPIX-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349251;MM349251;C=CC(=C)C(C)C(F)CC;LBVFDVRLRSYMIS-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349252;MM349252;CNc1cn(N)nn1;OYPGRGFLXGJSKJ-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349253;MM349253;C=C(C=O)C(C)C(F)CC;KQAOLCZCAFEATK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349254;MM349254;CC(CCC=O)C(=O)CO;RUKKUCYHUKCBDF-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349255;MM349255;C=C(C#N)C(C)C(F)CC;PUXPIWOJOXLDPR-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349256;MM349256;C=CCCC(N)C(=C)CN;NUZBORDZUNJBHV-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349257;MM349257;C=CC(=C)C(C)C(F)CN;KHZXUKIKGZONKO-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349258;MM349258;C=CCCC(N)C(=C)CO;JNOOIYFXFIXJDL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349259;MM349259;C=CC(=O)C(C)C(F)CC;GIBABVUMNOSYIS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349260;MM349260;C=CCCC(O)C(=C)CN;RAGROGHXLVIFEY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349261;MM349261;CCC(F)C(C)C(=O)C#N;AXXDLNVHJWWLTJ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349262;MM349262;CC(C(=O)C=O)C(F)CO;RJZCDRGTMAPUHG-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349263;MM349263;Cn1cnc(N)c1F;GJVSEPWTSFMQTO-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349264;MM349264;CC(C(=O)C=O)C(F)CF;WAXMINFKXNCWGO-UHFFFAOYSA-N;150.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349265;MM349265;C=CCCC(C)C(=O)NO;BCNLTMGJWHYSPW-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349266;MM349266;C=CC(=C)C(N)C(C)CO;QGHSMLLTLOEWBA-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349267;MM349267;CNC(=O)C(F)CCC=O;CTWSGPFUSBOFEQ-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349268;MM349268;C=CC(=C)C(N)C(N)CN;MIVYUTRONWGMHY-UHFFFAOYSA-N;141.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349269;MM349269;COC(=O)C(C)CCC=O;KXCKDTPERALVNQ-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349270;MM349270;C=CC(=C)C(N)C(N)CF;XDXRMNISZIBDHB-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349271;MM349271;C=C(OC)C(O)CCC=O;HTYVARIDFKRWLY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349272;MM349272;C=CC(=C)C(N)C(O)CN;ZGYSHPMXCXMKPC-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349273;MM349273;C=CCCC(F)C(=O)OC;TWYSHGNUHPSFPO-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349274;MM349274;C=CC(=C)C(N)C(O)CO;SOBZOHUDNZOECD-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349275;MM349275;C=C(CO)C(C)CNC=N;ABTJPBKJTFGUGB-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349276;MM349276;C=CC(=C)C(N)C(O)CF;UOEXNWOEHJINLW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349277;MM349277;C=C(CF)C(C)CNC=N;YOLDHZOMDYEBEX-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349278;MM349278;C=CC(=C)C(N)C(F)CC;UKLRCWHMJVYTGT-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349279;MM349279;CCC(=O)C(C)CN=CN;GSZOXMCRKCUFNV-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349280;MM349280;C=CC(=C)C(N)C(F)CN;QXVSQIVPQOYITH-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349281;MM349281;CC(CN=CN)C(=O)CO;MLRGKWLRLBQMQG-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349282;MM349282;C=CC(=C)C(N)C(F)CF;WQLMABSSLJFITA-UHFFFAOYSA-N;147.17;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349283;MM349283;C=C(CC)C(O)CNC=N;TWUFGDKORHLIPL-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349284;MM349284;C=CC(=C)C(O)C(N)CC;RXPXULBJKNKQIU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349285;MM349285;C=C(CN)C(O)CNC=O;UTPRQCHWFKIGQJ-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349286;MM349286;C=CC(=C)C(O)C(N)CN;ZNTIQEZNGXCNJL-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349287;MM349287;CCC(=O)C(O)CN=CN;BPPILKWHPDFVGE-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349288;MM349288;C=C(C=O)C(O)C(O)CC;CQMNUBYOAQVXME-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349289;MM349289;NC=NCC(O)C(=O)CO;MNHAOIZGMNXCJR-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349290;MM349290;C=CC(=C)C(O)C(O)CO;WBOKFXWTKGDEQY-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349291;MM349291;NC=NCC(O)C(=O)CF;YLMWTMMCJWIHHE-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349292;MM349292;CCC(O)C(O)C(=O)C=O;ZGOYPTDJNKKNBR-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349293;MM349293;C=C(C)C=CC(C)CO;XYQRYYBVKLZSHC-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349294;MM349294;CCC(O)C(O)C(=O)C#N;XDMOYJMYROLLOU-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349295;MM349295;CNC(=N)C(C)CNC=N;NACPBVFUSUMEKO-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349296;MM349296;C=CC(=O)C(O)C(O)CO;VEDHYTPQIAWTBD-UHFFFAOYSA-N;146.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349297;MM349297;CNC(=N)C(C)CNC=O;HKXDOHVYROPYNF-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349298;MM349298;O=CC(=O)C(O)C(O)CO;VDSAQEDKJUSZPS-UHFFFAOYSA-N;148.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349299;MM349299;CNC(=N)C(N)CNC=N;GXJCHLYRSANCAF-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349300;MM349300;N#CC(=O)C(O)C(O)CO;VMVSFECVMMLGKW-UHFFFAOYSA-N;145.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349301;MM349301;CNC(=N)C(O)CNC=N;JMPWJOBAKATKHT-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349302;MM349302;O=CC(=O)C(O)C(O)CF;HMXURLXSWXQKNG-UHFFFAOYSA-N;150.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349303;MM349303;N=CNCC(O)C(=N)NN;BPBMHXJUMIXVRB-UHFFFAOYSA-N;145.17;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349304;MM349304;N#CC(=O)C(O)C(O)CF;MCVSALYXFPIBCI-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349305;MM349305;N=C(NN)C(O)CNC=O;PHUXGOSYIPHFBY-UHFFFAOYSA-N;146.15;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349306;MM349306;C=CC(=C)C(O)C(F)CO;MVWIRTJPJAZFQP-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349307;MM349307;CNC(=O)C(O)CN=CN;JYDVICDMKKWSTG-UHFFFAOYSA-N;145.16;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349308;MM349308;O=CC(=O)C(O)C(F)CO;HFGCZCGDWJIJCI-UHFFFAOYSA-N;150.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349309;MM349309;NC=NCC(O)C(=O)NO;IOGOOCMMQQCTFN-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349310;MM349310;C=C(C=O)C(F)C(C)CC;DLPNAUWNMUYSCS-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349311;MM349311;CNC(=N)C(F)CNC=N;ZMCJBHWAPHDJGM-UHFFFAOYSA-N;146.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349312;MM349312;C=C(C#N)C(F)C(C)CO;CAAQLHXOKHJLEO-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349313;MM349313;CNC(=O)C(F)CN=CN;UEKCAVJCFWOAFM-UHFFFAOYSA-N;147.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349314;MM349314;C=CC(=C)C(F)C(N)CC;LORGHAARBYQFMK-UHFFFAOYSA-N;143.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349315;MM349315;C=NNCC(C)C(=N)NC;IRPYUNSUICBEML-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349316;MM349316;C=CC(=C)C(F)C(N)CO;JNIGYBVEABYLFW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349317;MM349317;C=NNCC(O)C(=N)NN;PMQRDLZCJFGOLJ-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349318;MM349318;C=CC(=C)C(F)C(O)CN;RWWPBFIQJFRUBF-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349319;MM349319;C=C(F)C=CC(C)CO;PLDBTSPCXKIUBW-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349320;MM349320;C=CC(=C)C(F)C(F)CC;SKNSTTBBUIBIHG-UHFFFAOYSA-N;146.18;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349321;MM349321;C=NNCC(O)C(=O)NO;PCQNEHSXSVMLLF-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349322;MM349322;O=CC(=O)C(F)C(F)CO;YNTZBGPJJDVNFB-UHFFFAOYSA-N;152.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349323;MM349323;C=C(OC)C(C)CNC=N;RUMGULXDJPXYHQ-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349324;MM349324;C=CC(=C)C(C)C(C)NC;FSQVSIPOBQNEEY-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349325;MM349325;C=C(C=CCC)C(C)O;NRPJHKUUXTYLPL-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349326;MM349326;C=C(C=O)C(C)C(C)NC;KKQVMNZZQBISBL-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349327;MM349327;C=C(OC)C(O)CNC=N;WVOXWBCNPIHRBW-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349328;MM349328;C=C(C=O)C(C)C(C)OC;JWYRGVAUVCHHNY-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349329;MM349329;C=C(OC)C(O)CNC=O;RYTRPCKRHOPIGV-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349330;MM349330;C=C(C#N)C(C)C(C)OC;MZSHVTSSHWOBQJ-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349331;MM349331;COC(=O)C(O)CN=CN;AGUVRJAYNWULHZ-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349332;MM349332;C=CC(=O)C(C)C(C)OC;HPSSIEGKFSRYMM-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349333;MM349333;COC(=O)C(F)CN=CN;BJURTPZRRVXNRY-UHFFFAOYSA-N;148.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349334;MM349334;COC(C)C(C)C(=O)C=O;GXDHWQXLXRUOIG-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349335;MM349335;C=NNCC(F)C(=C)OC;RNHZYAATJRXCBF-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349336;MM349336;C=CC(=C)C(N)C(C)OC;NKLSIJOOQJSXBR-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349337;MM349337;C=C(CO)C(C)COC=O;SNXPCRQIWDKFAE-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349338;MM349338;C=C(C=O)C(O)C(C)OC;RSOZEDYCLDDISU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349339;MM349339;CCC(=O)C(C)COC=O;DYEIPJNKUUFLHX-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349340;MM349340;C=C(C#N)C(O)C(C)OC;ZNPFUIUGHDMACS-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349341;MM349341;C=C(CO)C(N)COC=O;LARYZWXRNUNEDV-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349342;MM349342;COC(C)C(O)C(=O)C=O;INTXZNTZIHJXRG-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349343;MM349343;C=C(CC)C(O)COC=O;GMRKDIVMMDIKLW-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349344;MM349344;C=CC(=O)C(F)C(C)OC;UYBIIKBAYXUFLB-UHFFFAOYSA-N;146.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349345;MM349345;C=COCC(O)C(=C)CO;AKYXLJSUMOFQDR-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349346;MM349346;C=CC(=C)C(C)N(C)CC;FEPOMWYIEQAWGN-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349347;MM349347;C=COCC(O)C(=C)CF;WYSSHFIJSSMCRI-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349348;MM349348;C=C(C=O)C(C)N(C)CC;LAEMCJDHAGOGMJ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349349;MM349349;C=COCC(O)C(=O)CF;CWJIUNYSFAZPEB-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349350;MM349350;C#CC#CCC1C(C)C1O;AANAHTRRTQVHPW-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349351;MM349351;C=COCC(F)C(=C)CO;ITXYBLGCLIEEDI-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349352;MM349352;CCC(C)N(C)C(=N)C=O;FPMJFYVUDSOPGX-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349353;MM349353;C=COCC(F)C(=O)CO;YWKZTGNSMPIGSF-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349354;MM349354;CCNN=CNOCC=O;MMGLLNCILSSILH-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349355;MM349355;O=COCC(F)C(=O)CF;DEYLMCVISYRAAV-UHFFFAOYSA-N;152.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349356;MM349356;CCC(C)N(C)C(=O)C=O;YILAWMFROBEQII-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349357;MM349357;CC#CCCC(C)CO;MJMCBMNPRHVYQA-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349358;MM349358;CON=CCC(C)C=O;SUSYHDJIUZGJGC-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349359;MM349359;C=CC(=O)N(C)C(C)CO;HMURKDLOFNQUCW-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349360;MM349360;C=CC#CCC(O)CC;CQTWXDPEPDAROU-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349361;MM349361;CC(CO)N(C)C(=O)C=O;AYPFTJOODYLKRV-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349362;MM349362;C=COCC(C)C(=N)NC;XNDOHAGPIQZDAX-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349363;MM349363;OC1CCC1;KTHXBEHDVMTNOH-UHFFFAOYSA-N;72.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349364;MM349364;CC=CC=CC(C)CO;BTWOOOSIBAPLDU-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349365;MM349365;CCN(C)N(C)C(=N)C=O;RCMGFWLQRZEDNX-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349366;MM349366;C=COCC(C)C(=O)NO;SQEHHKLTARFVFW-UHFFFAOYSA-N;145.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349367;MM349367;C#CC(=C)C(C)C(C)CC;IUGYIZUKOUPIKT-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349368;MM349368;C=COCC(N)C(=N)NC;ZTSJXFSAVKHVME-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349369;MM349369;C#CC(=C)C(C)C(C)CN;SXMAYSBPSIYRNQ-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349370;MM349370;CNC(=N)C(O)COC=O;XEIIIHCTDYXJHB-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349371;MM349371;Cc1conc1N;IENISVMEYSGVOI-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349372;MM349372;C=COCC(O)C(=N)NN;SLHGFUOXTAILLV-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349373;MM349373;C#CC(=C)C(C)C(C)CF;PMPRCTABRXFMQQ-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349374;MM349374;N=C(NN)C(O)COC=O;MKMMQVCOTMNIGM-UHFFFAOYSA-N;147.13;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349375;MM349375;C#CC(=O)C(C)C(C)CC;HZOOERPDFLAWDY-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349376;MM349376;C=COCC(O)C(=O)NC;AFESTHQRTJKYDY-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349377;MM349377;C#CC(=C)C(C)C(N)CC;UARVNRWDCQJWJY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349378;MM349378;CNC(=O)C(O)COC=O;WELYPLVCNCVMBS-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349379;MM349379;C#CC(=C)C(C)C(N)CF;FLIMYCBWJNESEE-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349380;MM349380;CC(C=CC=CF)CO;QGSBQSJBPKJWER-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349381;MM349381;O=CC1NC1C=O;GRRMFMSVXLLWHJ-UHFFFAOYSA-N;99.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349382;MM349382;O=COCC(O)C(=O)NO;SYSNETOAQHFIQA-UHFFFAOYSA-N;149.1;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349383;MM349383;C#CC(=O)C(C)C(O)CC;MHQWXXWQHZOAMV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349384;MM349384;C=COCC(F)C(=O)NC;ZPBTXEJZAJWQSN-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349385;MM349385;C#CC(=C)C(C)C(F)CC;YGVATXHIDFGUQR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349386;MM349386;C=COCC(F)C(=O)NO;TXTQLIHBPYOUIX-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349387;MM349387;C#CC(=C)C(C)C(F)CN;IMBGKCIRPOHYIX-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349388;MM349388;C=NOCC(O)C(=N)NC;SBGXKPOARIGBFC-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349389;MM349389;C#CC(=C)C(N)C(C)CC;RDRPUSGCNZLVGR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349390;MM349390;C=NOCC(O)C(=N)NN;GJLOITMHHWTBFE-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349391;MM349391;C#CC(=C)C(N)C(N)CN;RBWCJHDMNREPNF-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349392;MM349392;C=NOCC(O)C(=O)NO;HQAMSQFUFODCMQ-UHFFFAOYSA-N;148.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349393;MM349393;C#CC(=C)C(N)C(O)CO;MOOJVXBZULRANV-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349394;MM349394;C=COCC(N)C(=C)OC;BEIFFEIRKCJNRL-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349395;MM349395;C#CC(=C)C(O)C(C)CN;KWUAQXSQLZHOQB-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349396;MM349396;Cc1[nH]c(N)c(F)c1C;ZYKMVFODIYLZMN-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349397;MM349397;C#CC(=O)C(O)C(C)CO;XZQDBEDSHOIIGZ-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349398;MM349398;C=C(CC)C(C)NCC#N;KEELUYWRLXAZLW-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349399;MM349399;C#CC(=C)C(O)C(N)CC;WTQVTGXSRHUAIX-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349400;MM349400;C=CCNC(C)C(=C)CN;NOYGPSHHUBUXQV-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349401;MM349401;C#CC(=C)C(O)C(N)CN;DAEFJNHUKVUPFP-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349402;MM349402;C=C(CF)C(C)NCC#N;FRBBZHJPSZMBCY-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349403;MM349403;C#CC(=C)C(O)C(O)CN;GEIGYZVORPCDOL-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349404;MM349404;NNc1cc(F)n(N)n1;RHCJHNRINOHVNZ-UHFFFAOYSA-N;131.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349405;MM349405;C#CC(=C)C(O)C(O)CO;LJYFWMBDUPJACT-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349406;MM349406;C=C(OC)C(C)NCC#N;XYCQFRZEKDHTKC-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349407;MM349407;C#CC(=O)C(O)C(O)CO;LCTYTQFEZSEOEL-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349408;MM349408;CCC1NC(CF)C1=O;MDLYTWSXUOVIKX-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349409;MM349409;C#CC(=O)C(O)C(O)CF;WNZQBUATYXBDPU-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349410;MM349410;CNC(=O)C(C)NN=CN;RLZUXQPJCHLBTB-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349411;MM349411;C#CC(=C)C(O)C(F)CN;DIXMTFBJPWYVTR-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349412;MM349412;C=CCOC(C)C(=C)CN;HILGGLOWQWLJAJ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349413;MM349413;C#CC(=C)C(O)C(F)CO;WEHGWWBWPCHYKZ-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349414;MM349414;C=CCOC(C)C(=C)CO;HYHFXNDYDKORIW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349415;MM349415;C#CC(=C)C(O)C(F)CF;QCRSXAVDSHQCAU-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349416;MM349416;C=C(CO)C(C)OCC=O;ACFBOFMFLPRVRY-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349417;MM349417;C#CC(=O)C(O)C(F)CO;PKBQOJMXXCYINI-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349418;MM349418;C=C(CF)C(C)OCC#N;CPECPHZHUPICOI-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349419;MM349419;C=CCOC(C)C(=O)CC;CMJDWVLRBOOQCY-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349420;MM349420;C#CC(=O)C(F)C(O)CO;XOPNBBZAZMPWHT-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349421;MM349421;CCC(=O)C(C)OCC=O;LNSBSFYANIVWTC-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349422;MM349422;C#CC(=C)C(C)C(C)OC;IEUFXMBNUZUHTO-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349423;MM349423;CCC(=O)C(C)OCC#N;GNWCCZHHCBVVAE-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349424;MM349424;C#CC(=C)C(O)C(C)OC;JQFSKMXNSBJLHX-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349425;MM349425;CC(OCC=O)C(=O)CO;GOODMDXXTUTXSJ-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349426;MM349426;C#CC(=O)C(F)C(C)OC;DGRPXQLRSXYJEJ-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349427;MM349427;CC(OCC#N)C(=O)CO;YYPUQUARKTUZBQ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349428;MM349428;C#CC(=O)N(C)C(C)CN;OMNLPJDOXUOTCT-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349429;MM349429;CN=C(N)C(C)OCC=O;HYIXHLABRLSFEM-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349430;MM349430;C=CC(C)C(C)C(=C)CC;JAQNXQHOBHSLEE-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349431;MM349431;CC(OCC#N)C(=N)NO;XTZKZKDSTPIZLD-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349432;MM349432;C=CC(C)C(C)C(=C)CN;WJRHNOUPMWOGJC-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349433;MM349433;C=CCOC(C)C(=O)NC;CTGGUEVUEBZPEX-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349434;MM349434;C=CC(C)C(C)C(=C)CF;HXHRZSFMAOLZEQ-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349435;MM349435;C=C(OC)C(C)OCC#N;NOAMLETUWLOORO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349436;MM349436;C=C(CC)C(C)C(C)C=O;MFPVDCODAVJLJU-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349437;MM349437;C=C(CO)C(C)ONC=O;DZVKPAATDYJPEW-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349438;MM349438;C=C(CO)C(C)C(C)C#N;COEBXTIPGJHFDU-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349439;MM349439;C=C(OC)C(C)ONC=N;ZSCGPMYKVMDAFI-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349440;MM349440;C=C(CF)C(C)C(C)C#N;HGHFGDAVYBXCKV-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349441;MM349441;CCC(=N)N(C)CCC#N;WODWOVLGIIBRQD-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349442;MM349442;C=CC(C)C(C)C(=O)CC;FBFPCFLVDFDQTG-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349443;MM349443;C=CCCN(C)C(=N)CN;YIXILDBDXMEIPZ-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349444;MM349444;C=CC(C)C(C)C(=O)CF;PZPMWSCTLBOECL-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349445;MM349445;CN(CCC=O)C(=N)CO;MCMAKTOBXNTFAW-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349446;MM349446;CCC(=O)C(C)C(C)C#N;OYRVKAQLOKXOJW-UHFFFAOYSA-N;139.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349447;MM349447;C=CCCN(C)C(=O)CC;MRQDPKDUZZCRKO-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349448;MM349448;C=CC(N)C(C)C(=C)CC;ZJVNUEMFJUHFEQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349449;MM349449;CCC(=O)N(C)CCC#N;BDNXNGUDCAMSFK-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349450;MM349450;C=CC(C)=CC(C)O;GXXHYVYPWMLRJY-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349451;MM349451;C=CCCN(C)C(=O)CO;MYFBYDZGWLADIQ-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349452;MM349452;C=C(CF)C(C)C(O)C#N;YMVXDWZFVFCEJT-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349453;MM349453;CN(CCC=O)C(=O)CO;KOHPQIHKKAYRHP-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349454;MM349454;CC(C(=O)CO)C(O)C=O;KCAWHRIRWTVOCE-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349455;MM349455;CCC(=N)N(O)CCC=O;KUBIQPKALHEICL-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349456;MM349456;CC(C(=O)CF)C(O)C=O;HLMHHBNVDOYUEL-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349457;MM349457;Nc1c[nH]c(N=O)c1N;QNDOADQZABHWJZ-UHFFFAOYSA-N;126.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349458;MM349458;C=CC(F)C(C)C(=C)CO;MZFAJUGXPAIPOL-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349459;MM349459;CNC(=O)N(C)CCC=O;ZJYKOMBQAOTOCR-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349460;MM349460;C=CC(F)C(C)C(=O)CF;PSLANWVDMJIWQE-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349461;MM349461;CNC(=O)N(O)CCC=O;UTKMQMNUYQGPDI-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349462;MM349462;CCC(=O)C(C)C(F)C#N;AMRRYDBZELNCCA-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349463;MM349463;CNC(=O)N(O)CCC#N;FLBPDGSKDXOXDA-UHFFFAOYSA-N;143.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349464;MM349464;C=CC(C)C(N)C(=C)CC;MQPVYPDRIQHQGM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349465;MM349465;O=CCCN(O)C(=O)NO;YBWNIUJVUCFPST-UHFFFAOYSA-N;148.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349466;MM349466;C=CC(C)C(N)C(=C)CF;JXQNQVRXIZIKFC-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349467;MM349467;CN(NCC=O)C(=N)CO;OKVDCYHLAOKMJA-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349468;MM349468;C=CC(O)C(N)C(=C)CO;MGUSEMMKDGXICG-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349469;MM349469;N=CNN=c1ocno1;ONJWFXJNUBHJQC-UHFFFAOYSA-N;128.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349470;MM349470;C=C(CC)C(O)C(C)C#N;IMKDGLSYQAIGLM-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349471;MM349471;C#CC(C)CC(=C)C(C)O;LKALJQDTSBXTBL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349472;MM349472;C=C(CO)C(O)C(C)C#N;ACDDEZYCKKAZOO-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349473;MM349473;CNC(=N)N(C)NCC#N;ACSWOYLJPDTCSV-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349474;MM349474;C=CC(N)C(O)C(=C)CC;AZWNKJZDJMHGFQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349475;MM349475;CN(NCC=O)C(=N)NO;FAWFXVDGPVIUGU-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349476;MM349476;C=CC(O)C(O)C(=C)CN;VKZRVQDASRIJDF-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349477;MM349477;C#CC(C)C=C(C)C(C)O;CNDDMYCYDYPWOX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349478;MM349478;C=C(CO)C(O)C(O)C#N;FQSWRWAWDYCBLW-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349479;MM349479;CCC(=N)N(C)OCC=O;SMSRZGLQLKGKFR-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349480;MM349480;N#CC(O)C(O)C(=O)CF;ZMESYZLDDBYHFO-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349481;MM349481;CCC(=N)N(C)OCC#N;GLMQIRJXHRXADX-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349482;MM349482;C=C(CC)C(O)C(F)C=O;CIVUKSZPBBOGNY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349483;MM349483;C=CCON(C)C(=N)CN;HRJTYTGHIVFOJY-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349484;MM349484;C=C(CO)C(O)C(F)C#N;DFPBMNMHYWZBLH-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349485;MM349485;C=C(C=CC(C)F)C(C)O;WGIPFDKXLWATJT-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349486;MM349486;C=C(CF)C(O)C(F)C#N;CJXWBSRYZVDUEB-UHFFFAOYSA-N;147.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349487;MM349487;CN(OCC=O)C(=O)CO;KRRJKCKBVHDZQY-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349488;MM349488;C=CC(C)C(F)C(=O)CC;DTLFJIVEULXAFV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349489;MM349489;CN(OCC=O)C(=O)CF;BFKNNZOPPMJZOL-UHFFFAOYSA-N;149.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349490;MM349490;CC(C=O)C(F)C(=O)CO;XHFTVKOFCOPKNX-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349491;MM349491;CN(OCC#N)C(=O)CF;QNCZMSIMILZQLN-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349492;MM349492;C=CC(O)C(F)C(=C)CC;RFDADRGHNQZKBC-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349493;MM349493;CNC(=N)N(C)OCC=O;WAPFJCFKDOMEAO-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349494;MM349494;C=C(CO)C(F)C(O)C#N;VNFGZECVLWWZOG-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349495;MM349495;CN(OCC=O)C(=O)NO;YYHAHATXCJUTKB-UHFFFAOYSA-N;148.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349496;MM349496;C=CC(O)C(F)C(=O)CC;ZFCPPSZSBPOHOG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349497;MM349497;COC(=O)N(C)OCC=O;JADRHYVATSDQQT-UHFFFAOYSA-N;147.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349498;MM349498;N#CC(F)C(F)C(=O)CF;PBKPEMOFRRZBIK-UHFFFAOYSA-N;151.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349499;MM349499;C#CCCC(C)C(=C)CN;ONCRBPYCYUBYDR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349500;MM349500;C=CC(C)C(C)C(=N)NO;SRQVAEQOXVTYEX-UHFFFAOYSA-N;142.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349501;MM349501;C=C(C=CC(F)F)C(C)O;KLGPKODUWAQZLT-UHFFFAOYSA-N;148.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349502;MM349502;CC(C#N)C(C)C(=N)NO;PHCPIYCUJUYKFV-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349503;MM349503;C#CCCC(C)C(=C)CF;CGUYOLTUBBCXCT-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349504;MM349504;CC(O)CC=CC#N;KGTIOCFEQCCIPJ-UHFFFAOYSA-N;111.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349505;MM349505;C#CCCC(O)C(=C)CN;NELTWLHIIVFPDK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349506;MM349506;C#CC=CC(O)CC;RBYGRTULOATBNW-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349507;MM349507;C=NNC=NN(C)C=NN;GIPYQEWWOXFIRF-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349508;MM349508;C=CC(C)C(C)C(=O)NO;NDGBSMUIVFHBBQ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349509;MM349509;C#CCCC(N)C(=N)NC;XUWGHSYHCCPUGL-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349510;MM349510;CC(C(=N)NO)C(O)C=O;QTTWEOYFUXAJMJ-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349511;MM349511;C=CC(F)C(C)C(=N)NC;JYFWQCGWWAOIMW-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349512;MM349512;C#CCCC(N)C(=N)NO;XCHSDVHNCUHNEU-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349513;MM349513;CC(C(=N)NO)C(F)C#N;KFTHPOKXELBZDX-UHFFFAOYSA-N;145.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349514;MM349514;C#CCCC(N)C(=O)NC;QJSLYOZYXLBXNO-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349515;MM349515;CNC(=O)C(O)C(C)C=O;SHOUVWZMSLYOJC-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349516;MM349516;C#CCCC(O)C(=N)NC;WGSKQSUKJDGPCJ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349517;MM349517;C=CC(O)C(O)C(=N)NC;FUFIUTDFCJGSFK-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349518;MM349518;C#CCCC(O)C(=O)NC;MSMRPAIMISJFSZ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349519;MM349519;C=CC(O)C(O)C(=N)NN;CEXPSLGEWAINBC-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349520;MM349520;C=C(C=CCCC)C(C)O;OGOJOIDCOVNGKX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349521;MM349521;CN=C(N)C(O)C(O)C=O;NFJGZNWMCZAJIX-UHFFFAOYSA-N;146.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349522;MM349522;C#CCNC(C)C(=C)CC;JMPKDUBOWOVBBX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349523;MM349523;CNC(=N)C(O)C(O)C#N;XEQYFTWBYAXNKD-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349524;MM349524;C#CCNC(C)C(=C)CN;KUBQILGEQBRIOK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349525;MM349525;NC(=NO)C(O)C(O)C=O;YCFUKSTYVLVLRF-UHFFFAOYSA-N;148.12;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349526;MM349526;C#CCNC(C)C(=N)NN;FFQWOIGIQFTTPU-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349527;MM349527;C=CC(O)C(O)C(=O)NC;HHYVVPCMYSAYTN-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349528;MM349528;C#CCOC(C)C(=C)CC;SKJZJEJNZCLCKY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349529;MM349529;C=CC(O)C(O)C(=O)NN;AHBFYKXCUKXCDV-UHFFFAOYSA-N;146.15;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349530;MM349530;C#CCOC(C)C(=O)CC;WBFJSKWBURXIFA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349531;MM349531;O=CC(O)C(O)C(=O)NO;ULGUOQOOYFYANM-UHFFFAOYSA-N;149.1;-2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349532;MM349532;C#CCOC(C)C(=O)CO;DJRUBCZJULQBDY-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349533;MM349533;C=CC(C=C)CCO;OJSLGTZEFOBGSY-UHFFFAOYSA-N;112.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349534;MM349534;C#CCOC(C)C(=N)NC;VUZXCTYSMSPBTL-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349535;MM349535;C=CC(C)C(F)C(=O)NN;XPKUZGJLZVXLPF-UHFFFAOYSA-N;146.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349536;MM349536;C#CCCN(C)C(=N)CO;ZPZSNELGOZKBKR-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349537;MM349537;C#CC1CC(CO)C1;YXMUVIBOZXXNDX-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349538;MM349538;C#CCCN(C)C(=O)CO;KLPZDMWUZPGIRU-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349539;MM349539;C#Cc1cc(N)no1;LCJMPQJUYBCNGV-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349540;MM349540;C#CCCN(N)C(=N)CO;NNPGVJIZGAZPGW-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349541;MM349541;C=CC(O)C(F)C(=O)NC;SGWOWNWRNQWRII-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349542;MM349542;C#CCCN(O)C(=N)CC;ZDDINNYODRDMTO-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349543;MM349543;C=CC(O)C(F)C(=O)NO;ICVGMSBWBZKWPJ-UHFFFAOYSA-N;149.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349544;MM349544;COC(=O)C(C)C(C)C=O;VKGFAEUVFZRIMC-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349545;MM349545;C#CCCN(C)C(=N)NC;WLYCVEJLPJWHAA-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349546;MM349546;C=CC(O)C(C)C(=O)OC;FCGFELSCDSTPKX-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349547;MM349547;C#CCCN(C)C(=N)NN;UATIZLDPLCXTLZ-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349548;MM349548;COC(=O)C(C)C(O)C=O;MRRJHPGZUNCWDF-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349549;MM349549;C#CCCN(C)C(=N)NO;KQFHBVIQBJRYCQ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349550;MM349550;C=CC(C)C(N)C(=C)OC;VEIUTXFQFGJCRJ-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349551;MM349551;C=CCC=CC(=C)C(C)O;SIFFZMZHKQKGCV-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349552;MM349552;COC(=O)C(O)C(C)C=O;KBXSSSFUQAICRM-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349553;MM349553;C#CCCN(C)C(=O)NO;BBBFAIIIJPYQAY-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349554;MM349554;C=CC(O)C(O)C(=C)OC;VPSDPXOGIAVQQL-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349555;MM349555;C#CCCN(N)C(=N)NC;NPAGAGUPKAYGIP-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349556;MM349556;COC(=O)C(O)C(O)C=O;RETUDAQPDXIFOG-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349557;MM349557;C#CCCN(N)C(=N)NN;UYNQWXMTZGMXTR-UHFFFAOYSA-N;141.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349558;MM349558;C=CC(F)C(O)C(=C)OC;FXUQNXWWQIIYEF-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349559;MM349559;C#CCCN(N)C(=N)NO;LLEGSTIDFNYOIF-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349560;MM349560;COC(=O)C(O)C(F)C#N;XMTRQFQBHXLRNE-UHFFFAOYSA-N;147.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349561;MM349561;C=C(C=CCC=O)C(C)O;SCLZKNGOTROQLZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349562;MM349562;C=C(OC)C(F)C(C)C=O;KZYCTSRGGNBQMD-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349563;MM349563;C=C(C=CCC#N)C(C)O;PPPHHBGCHLXYAI-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349564;MM349564;COC(=O)C(F)C(O)C=O;JCBVZAVYXHEKRO-UHFFFAOYSA-N;150.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349565;MM349565;C#CCCN(N)C(=O)NO;UNJBNVGVWAFAIH-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349566;MM349566;COC(=O)C(F)C(F)C#N;GOANDZJFHCKAOZ-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349567;MM349567;C#CCCN(O)C(=N)NC;OTGQSQLCHHRFRQ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349568;MM349568;C=C(CF)C(C)N(C)C=N;HFXQMYGHULJSPJ-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349569;MM349569;C#CCCN(O)C(=N)NN;NITZRHATSJVKMH-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349570;MM349570;C=C(CN)C(C)N(C)C=O;VYLGRFJVFIHUEC-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349571;MM349571;C#CCCN(O)C(=O)NC;QGTDGPKZVKIOKQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349572;MM349572;CC(C(=O)CF)N(C)C=N;LWIQXFIZGDQKJZ-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349573;MM349573;C#CCCN(O)C(=O)NN;OEVYAQNSUBXOFE-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349574;MM349574;C=C(CN)C(C)N(O)C=N;HYWXZWGHNGRCLM-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349575;MM349575;C#CCCN(O)C(=O)NO;QRIGQXZYSPHQJD-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349576;MM349576;CC(C(=N)NN)N(C)C=N;GORXLIMOZGNZOK-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349577;MM349577;C#CCNN(C)C(=N)CO;GGBZGNPPJFWSCL-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349578;MM349578;CC(C(=N)NO)N(C)C=N;MYYJOYRQUUNBPC-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349579;MM349579;C#CCNN(C)C(=N)NN;IGQIFHLPFRQJSV-UHFFFAOYSA-N;141.18;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349580;MM349580;CC(C(=O)NN)N(C)C=N;ZHBSNAGMRFAPRL-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349581;MM349581;C#CCNN(C)C(=N)NO;DPYQRQOGHSHVCO-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349582;MM349582;CC#CC(C)(C)CCO;JOLBLORVAMCZAL-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349583;MM349583;C#CCC=CC(=C)C(C)O;IHXGEKFMMDSHGE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349584;MM349584;CNC(=N)C(C)N(N)C=N;RNBRNDQVFRJPJG-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349585;MM349585;C=CC(O)(C=C)CC#CC;SUXOMVOSGAGQPZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349586;MM349586;CC(C(=N)NN)N(N)C=O;GKCOVLRFLHFBRM-UHFFFAOYSA-N;145.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349587;MM349587;C#CCNN(C)C(=O)NO;KFGOSCRTPUTDFJ-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349588;MM349588;CNC(=N)C(C)N(O)C=N;LSJLVOGXZAEAGL-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349589;MM349589;C#CCON(C)C(=N)CC;PWHLQFVTYYQEJL-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349590;MM349590;C=NN(C)C(C)C(=C)CC;MTULRBWJEQCMER-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349591;MM349591;C#CCON(C)C(=O)CO;AGPYJHYDNGRTKY-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349592;MM349592;CC=CC(C)=CC(C)O;CRTNYFQFZHSXIZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349593;MM349593;C#CCON(C)C(=N)NN;AZGZZVQPNDYBIF-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349594;MM349594;CC(C=CF)=CC(C)O;VCAWOZOLWDTBEC-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349595;MM349595;C=CC(C)(C#CCC)CO;GKNPLHHIAZQXJC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349596;MM349596;C=CC(C)N(C)C(=N)CN;HUZMSCAKLDRRJE-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349597;MM349597;C#CCON(C)C(=O)NO;ZSWWJJLASJPIFV-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349598;MM349598;CCC(=N)N(C)C(C)C#N;LGUQFSCYBOOSJC-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349599;MM349599;C=CC(=C)C(C)CCCC;MHSKUBKKEMSZQX-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349600;MM349600;CC(C=O)N(C)C(=N)CO;AFMCZWGQSIQTSW-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349601;MM349601;CCC(CC)(CC)CCO;TYGDPJRYTIJZMG-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349602;MM349602;CC(C=O)N(C)C(=O)CF;MFFGMEGJXRXVBP-UHFFFAOYSA-N;147.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349603;MM349603;C#CC(C)C=CC(O)CC;YPCAAYNWYWHWHP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349604;MM349604;C=CC(C)N(N)C(=N)CO;IMWWVFVJJXBIHT-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349605;MM349605;C=CC(=O)C(C)CCCC;UJRMHNJZOWZFDT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349606;MM349606;C=C(C=CC(C)CO)CC;JHOUOUREXJUGEF-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349607;MM349607;C=CC1(C)CC(CO)C1;URCAJQHRMDPOGU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349608;MM349608;CCCCC(C)C(=O)C=O;JYAMLITYAKYDTM-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349609;MM349609;CC1(C=O)CC(CO)C1;XZJNISIWCQQPGJ-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349610;MM349610;CCCCC(C)C(=O)C#N;QFXMSNZTKXFRQR-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349611;MM349611;C=CC(C)N(C)C(=O)NC;QCWUIOSYYGLNNX-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349612;MM349612;CC(CCCF)C(=O)C#N;MLJBCVBLPDJJCA-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349613;MM349613;CC(C=O)N(C)C(=O)NO;OEQDBWQAQMBNGK-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349614;MM349614;C=C(C=O)C(O)CCCC;QZKWVDGWWWSXDD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349615;MM349615;C=CC(C)N(O)C(=N)NC;AUXMBFZJAHZLTL-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349616;MM349616;C=C(C#N)C(O)CCCO;OELRGSNLPQOZLO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349617;MM349617;CNC(=O)N(O)C(C)C=O;VJJJTXKHVKGLOF-UHFFFAOYSA-N;146.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349618;MM349618;C=C(C#N)C(F)CCCO;NPLUTTRKMQZFAB-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349619;MM349619;CC1(CCC#N)CC1O;HRBZFFVHWYLSBN-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349620;MM349620;C=C(C#N)C(F)CCCF;LPXYKZDNTGLISQ-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349621;MM349621;CCC(=N)N(C)N(C)C=N;LPURQESHDITBRP-UHFFFAOYSA-N;142.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349622;MM349622;C=C(C#N)C(C)CCNC;VNSHUDYVAAELSO-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349623;MM349623;CN(C=N)N(C)C(=N)CN;IEBVWNABNKIZOJ-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349624;MM349624;CNCCC(F)C(=O)C#N;RJTMSKAEQDNPIL-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349625;MM349625;CN(C=N)N(C)C(=N)CO;NINMUULUAQBCOF-UHFFFAOYSA-N;144.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349626;MM349626;C=C(C=O)C(C)CCOC;HDEUCAMPFRRINH-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349627;MM349627;CN(C=N)N(C)C(=N)CF;LZWPYDANEHJEQP-UHFFFAOYSA-N;146.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349628;MM349628;C=CC(=O)C(C)CCOC;UWJHBOXECJTOII-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349629;MM349629;CCC(=N)N(C)N(C)C=O;MVYYHLKRLIQPPE-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349630;MM349630;COCCC(C)C(=O)C=O;YOUWSSVYYNBQKO-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349631;MM349631;CN(C=O)N(C)C(=N)CN;VRHUQGAIGQXUFR-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349632;MM349632;C=CC(=O)C(F)CCOC;LMBRKLXUITYOQH-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349633;MM349633;CN(C=N)N(C)C(=O)CN;UXSHJVRVUVZDLI-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349634;MM349634;COCCC(F)C(=O)C#N;QYDAHAOCYJWPPH-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349635;MM349635;CN(C=N)N(C)C(=O)CO;WOQLAOMYRQZVHS-UHFFFAOYSA-N;145.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349636;MM349636;C=CC(=C)C(C)CNCC;ABYISQOFWGKPND-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349637;MM349637;CCC(=O)N(C)N(C)C=O;CAALCVMTKJYINX-UHFFFAOYSA-N;144.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349638;MM349638;C=C(C#N)C(C)CNCC;OCLFSBYGIBDDCJ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349639;MM349639;CN(C=O)N(C)C(=O)CO;TYTXFFKBLJZTAU-UHFFFAOYSA-N;146.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349640;MM349640;C=CC(=O)C(C)CNCC;KIWIIEIOHPSOFJ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349641;MM349641;CN(C=O)N(C)C(=O)CF;TVRAUORWFOYZFZ-UHFFFAOYSA-N;148.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349642;MM349642;C=C(C=O)C(O)CNCC;AVUYYBBSYFXLAW-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349643;MM349643;CN(C=O)N(C)C(=N)NN;YXOZOIKPUMEEJG-UHFFFAOYSA-N;145.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349644;MM349644;C=C(C#N)C(O)CNCC;SHYVFSXZMMFZBU-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349645;MM349645;CN(C=O)N(C)C(=N)NO;IMXBZTBVJBDVBW-UHFFFAOYSA-N;146.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349646;MM349646;C=CC(=C)C(C)COCC;NVFUIVLAYQDKRC-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349647;MM349647;CN(C=N)N(C)C(=O)NN;FFJYKEPLFDTCEW-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349648;MM349648;CCOCC(C)C(=O)C=O;VAHCVMOOMXPSBC-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349649;MM349649;CN(C=N)N(C)C(=O)NO;NPRSZENNGRTAPT-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349650;MM349650;CCOCC(C)C(=O)C#N;CLBPQNDDQVYTMP-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349651;MM349651;CN1CC1(C)CCC=O;LVGKJVGSGGLPHZ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349652;MM349652;C=CC(=C)C(N)COCC;XFDFRDAFBRTKDH-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349653;MM349653;CN(C=O)N(C)C(=O)NO;AKRGXUDSEDXRSK-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349654;MM349654;C=CC(=C)C(O)COCC;AUXQWVQTCOLMKZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349655;MM349655;COC(=O)N(C)N(C)C=N;ZERXQMZXERXVTQ-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349656;MM349656;C=C(C#N)C(O)COCC;PDERCWLUZHNFIB-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349657;MM349657;COC(=O)N(C)N(C)C=O;DAYBFFYHTMGSEG-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349658;MM349658;C=CC(=O)C(O)COCC;SIKKHNGEMJZPGC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349659;MM349659;C=CC(=C)C(C)C(C)C=C;RMMBACKXTRCOPN-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349660;MM349660;CCOCC(O)C(=O)C#N;LHWDHDHZAWNJKG-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349661;MM349661;C=CC(C)C(C)C(=C)C=O;IQWKXHWDWASGGH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349662;MM349662;C=CC(=C)C(C)NCCC;DAZYBGHSRAUICV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349663;MM349663;C=CC(C)C(C)C(=C)C#N;OXSBJHXUHMHWAM-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349664;MM349664;C=C(C=O)C(C)NCCC;QVYSJKCINAHUDQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349665;MM349665;C=CC(=C)C(C)C(C)C=O;SYQUKUHWVAZLMX-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349666;MM349666;C=C(C#N)C(C)NCCF;IWMDQVJBGYNMRG-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349667;MM349667;C=CC(=C)C(C)C(C)C#N;URBQGNFPJLRXHQ-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349668;MM349668;C=CC(=O)C(C)NCCC;ODPXUOIHLPFVBO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349669;MM349669;C=C(C=O)C(C)C(C)C=O;DNWMCPCETPWJEK-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349670;MM349670;C=C(C=CC(C)CO)CF;UABWRSIFRNXLDF-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349671;MM349671;C=C(C#N)C(C)C(C)C=O;UETVTBQROZEFDD-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349672;MM349672;C=CC(=C)C(C)OCCN;IWKIRXULSCOVOI-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349673;MM349673;C=CC(=O)C(C)C(C)C=C;DEJQZSOXERWIEV-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349674;MM349674;C=C(C=O)C(C)OCCC;UKALEOALYFYNFG-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349675;MM349675;C=CC(C)C(C)C(=O)C#N;IOFBJTXYIKVEAO-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349676;MM349676;C=C(C#N)C(C)OCCO;ZCUXVZFSIVGXAY-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349677;MM349677;C=CC(=O)C(C)C(C)C=O;ZCHVTCTUZYQZMQ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349678;MM349678;C=CC(=O)C(C)OCCC;XIHUXLLZTPOYEV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349679;MM349679;CC(C=O)C(C)C(=O)C#N;WZGXMSCGLBONAO-UHFFFAOYSA-N;139.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349680;MM349680;CCCOC(C)C(=O)C=O;FXVGSNDZGGHHNG-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349681;MM349681;C=CC(=C)C(C)C(N)C=C;MDYOLNGCQSNAQK-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349682;MM349682;C=C(C#N)C(C)OCOC;JIEFOMMINAHMEY-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349683;MM349683;N#CC(=N)NOCC=O;WIIQVXHINIZOTN-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349684;MM349684;CCCCN(C)C(=N)C=O;BQIBURXCLCPNCF-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349685;MM349685;C=CC(=C)C=CC(C)CO;OBRGOUHOEWMBMN-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349686;MM349686;C=CC(O)C(C)C(=C)C=O;QFLJUJPKYLMUMO-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349687;MM349687;CCCCN(C)C(=O)C#N;BFLVOJJAAZZRMZ-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349688;MM349688;C=CC(O)C(C)C(=C)C#N;HKILPVOZZXFLCY-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349689;MM349689;CN(CCCO)C(=O)C#N;BYTFGBXIOXIJLC-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349690;MM349690;C=CC(=C)C(C)C(O)C#N;KHHJIUFGWUCVLS-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349691;MM349691;C=CC(=N)N(N)CCCO;XLJCQDRVZRZXPU-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349692;MM349692;C=C(C=O)C(C)C(O)C=O;WPYQZYVMCRGFFH-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349693;MM349693;C=CC(=O)N(N)CCCC;ZCVQRDFDWWRFLB-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349694;MM349694;C=CC(=O)C(C)C(O)C=C;KGVPLOJWINGMPD-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349695;MM349695;C=CC(=N)N(O)CCCN;ZSQBNRMBVXHHKM-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349696;MM349696;CC(C(=O)C=O)C(O)C=O;HYJDZJWBVLLIIJ-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349697;MM349697;C=C(C=O)C=CC(C)CO;VDAYXIJYECWYEC-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349698;MM349698;CC(C(=O)C#N)C(O)C=O;QTDOJWSXKVOALF-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349699;MM349699;CNCCN(C)C(=O)C=O;VBTSXEVMOHYBAU-UHFFFAOYSA-N;144.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349700;MM349700;C=CC(F)C(C)C(=C)C#N;FMAUWVWREXOREJ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349701;MM349701;CNCCN(C)C(=O)C#N;VOMKMPZEJFTJRR-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349702;MM349702;C=CC(=C)C(C)C(F)C=O;JPVSJQCBKNHDPE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349703;MM349703;COCCN(C)C(=N)C#N;PFXKTDUIORJXOL-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349704;MM349704;C=CC(=C)C(C)C(F)C#N;JCBJWHWHGOACLX-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349705;MM349705;C=CC(=O)N(N)CCOC;BUSGNFUUBCRKOC-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349706;MM349706;C=C(C=O)C(C)C(F)C#N;GRLUUDKLBSFUCK-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349707;MM349707;C=C(C#N)C=CC(C)CO;WUEXETWHIBUQNT-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349708;MM349708;C=CC(=O)C(C)C(F)C=C;SQDGILYBTGQMAD-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349709;MM349709;CCCNN(C)C(=N)C#N;BCTIIZJXFVHLTH-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349710;MM349710;C=CC(F)C(C)C(=O)C=O;NGPKRGGFYNEKQL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349711;MM349711;C=CC(=O)C=CC(C)CO;PEYFSNAQYNBAIF-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349712;MM349712;C=CC(=O)C(C)C(F)C#N;AZZZQXZAAVEVRA-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349713;MM349713;CCCNN(C)C(=O)C=O;UTFFYCTZZXOBIL-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349714;MM349714;CC(C(=O)C=O)C(F)C#N;QHMQLAPUIFNOIK-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349715;MM349715;C#CC(=C)C=CC(C)CO;FSVFTQFMVOEPSB-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349716;MM349716;C=CC(=C)C(N)C(C)C=C;RYQYAOLSPBCDLG-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349717;MM349717;CN(NCCF)C(=O)C#N;XUJIDJNJYUBKIY-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349718;MM349718;C=CC(=C)C(N)C(O)C=C;UZYBPJGDEGHTFT-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349719;MM349719;C=CC(=N)N(C)OCCN;RSROPSZHPPDYKF-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349720;MM349720;C=CC(C=CC)CCO;NSECFYWTKUPPNC-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349721;MM349721;C=CC(=N)N(C)OCCF;YQIPPFRRPOAWGJ-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349722;MM349722;C=CC(=O)C(O)C(C)C#N;WUKQCXSOJTZLKH-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349723;MM349723;CC(C=CC(C)CO)=CF;CSJINTOVANQLCV-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349724;MM349724;C=C(C#N)C(O)C(O)C=O;KSYPZVYXPTVFGA-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349725;MM349725;C#CC1(C=C)C=CC(O)C1;MJCXUZCRGIAPFN-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349726;MM349726;C=CC(O)C(O)C(=O)C#N;MJKCBIYDOLLJKQ-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349727;MM349727;CN(OCCF)C(=N)C#N;TUEYVKXVFHOAAG-UHFFFAOYSA-N;145.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349728;MM349728;C=CC(=O)C(O)C(O)C=O;RIZBYDNDDOGGOL-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349729;MM349729;C=CC(=O)N(C)OCCO;IWBHBBZGZZCQEG-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349730;MM349730;C=CC(=C)C(O)C(F)C=C;QLMFJVRVIVBKLO-UHFFFAOYSA-N;142.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349731;MM349731;CN(OCCO)C(=O)C#N;ZETOAZWIDWBLOZ-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349732;MM349732;C=C(C#N)C(O)C(F)C=O;RCNBPEHOWCBLHB-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349733;MM349733;COCON(C)C(=N)C=O;MBQPBBSWZJCKTH-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349734;MM349734;C=CC(C)C(F)C(=C)C#N;SMPDZKITZZMEDG-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349735;MM349735;C=CCCC(C)C(=C)C=C;ZMDNBUUGKZYSJX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349736;MM349736;C=CC(=C)C(F)C(C)C=O;YVGWZJIEJUQFRU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349737;MM349737;C=CC(=C)C(C)CCC=O;RHRRUJDSQDNQFI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349738;MM349738;C=C(C=O)C(F)C(C)C=O;RLECPWGRDIZTNJ-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349739;MM349739;C=CCCC(C)C(=C)C=O;GYCMEQPQBZCJLA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349740;MM349740;C=C(C#N)C(F)C(C)C=O;NBOZUTRXOJDBQA-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349741;MM349741;C=C(C=O)C(C)CCC=O;PNXWYAHOUNIDHS-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349742;MM349742;C=CC(=O)C(F)C(C)C=C;DQBGWRINUAGVLQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349743;MM349743;C=CCCC(C)C(=O)C=C;UJFSPZPLRSTSTB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349744;MM349744;C=CC(C)C(F)C(=O)C#N;PTIJWCJPYDHNKV-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349745;MM349745;C=CCCC(C)C(=O)C#N;OKFNGTDQHJTSBV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349746;MM349746;C=CC(=C)C(F)C(O)C=C;HVXXQNGPYHRKMO-UHFFFAOYSA-N;142.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349747;MM349747;CC(CCC=O)C(=O)C=O;KICBRIBIGCQWFS-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349748;MM349748;C=CC(O)C(F)C(=C)C#N;MTJPGWWVEVKENX-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349749;MM349749;C=C(C#N)C(O)CCC#N;GAOWSYNXDATCAL-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349750;MM349750;N#CC(=O)C(F)C(F)C#N;SYQXJNPSMITGIB-UHFFFAOYSA-N;144.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349751;MM349751;C=CCCC(F)C(=C)C=C;YUKUNLDQASDPDL-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349752;MM349752;C=CC(=C)C(C)N(C)C=O;XMGVYFTVPZGVDP-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349753;MM349753;C=CCCC(F)C(=C)C=O;NQSMBFMGBYCFDG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349754;MM349754;C=C(C#N)C(C)N(C)C=O;CKAQEKIJYFMHKA-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349755;MM349755;C=CCCC(F)C(=O)C=C;HLLWJIHUJOSZGN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349756;MM349756;C=CC(=C)C(C)N(C)N=C;ROLSYKGAXWBAAY-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349757;MM349757;C=CCCC(F)C(=O)C#N;IUWMMXNDECXDJJ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349758;MM349758;C=NN(C)C(C)C(=C)C#N;WFPROVIBXKQQDR-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349759;MM349759;C=C(C=O)C(C)CN=CN;XZVSBLMKYJOGJN-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349760;MM349760;C=CC(C=CF)CCO;UDQXSJZDTYAFIJ-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349761;MM349761;CC(CN=CN)C(=O)C=O;GBFVMOVVZAZITE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349762;MM349762;C=CC(=N)N(C)C(C)C#N;ZTEHROGLIZUMCK-UHFFFAOYSA-N;137.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349763;MM349763;CC(CN=CN)C(=O)C#N;VABOUNPBOMUFBL-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349764;MM349764;CC#CC(CO)C(C)C;VDJUZFSRMXPSPQ-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349765;MM349765;C=CC(=O)C(O)CN=CN;MQGQVNZNWLCHMI-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349766;MM349766;C=C1NC(=N)N(C)C1=O;ZAPVFPJSQACDOK-UHFFFAOYSA-N;125.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349767;MM349767;N#CC(=O)C(O)CN=CN;ONLZNZAKOYXNDF-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349768;MM349768;C=CC(C)N(C)C(=O)C=O;QEZFABSHJHNNSN-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349769;MM349769;N#CC(=O)C(O)CNC=O;GUMISJVVQDSKSU-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349770;MM349770;CC(C=O)N(C)C(=O)C=O;XCKBSYUWWKWRRT-UHFFFAOYSA-N;143.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349771;MM349771;C=CC(=C)C(C)CNN=C;MGXVMLVXHXLCBM-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349772;MM349772;CC(C=O)N(C)C(=O)C#N;DQZNCNIANZFBTQ-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349773;MM349773;CCC#CCCC(C)CO;QSBHUHMMELKJBA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349774;MM349774;CCON=CCC(C)C=O;ALMJHXKNRALEQS-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349775;MM349775;C=CC(=O)N(N)C(C)C=C;SYNWRNDWBVKJQP-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349776;MM349776;CC=CC#CCC(O)CC;DZAOOWHENJFPAJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349777;MM349777;CN1CC1CC(=O)C=O;LHIAFBCPFQLRMH-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349778;MM349778;C=COCC(C)C(=C)C=C;FMHUNHWHFLSFOT-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349779;MM349779;C=CC(=N)N(C)N(C)C=N;SOAISCRIKVBCAH-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349780;MM349780;C=COCC(C)C(=O)C#N;CABMCUMVJKGPBE-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349781;MM349781;C=CC(=N)N(C)N(C)C=O;HJWLZRIGPJXVME-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349782;MM349782;C=COCC(O)C(=C)C=C;JMRLXBNDZGPAAJ-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349783;MM349783;C#CC(=C)C(C)C(C)C=C;UOFFPBZLAUYINJ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349784;MM349784;C=COCC(O)C(=C)C=O;VRLZEDYSFIKCRJ-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349785;MM349785;C#CC(=C)C(C)C(C)C=O;JTVFQYVDHZMYMR-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349786;MM349786;C=COCC(O)C(=C)C#N;QTTWJFPKIGSRJD-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349787;MM349787;C#CC(=O)C(C)C(C)C=C;BRDWICGODLHDTB-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349788;MM349788;C=COCC(O)C(=O)C#N;NDJFVQUJRBVPHN-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349789;MM349789;C#CC(=O)C(C)C(C)C#N;MYCHCFYLOUUNHQ-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349790;MM349790;N#CC(=O)C(O)COC=O;OEWSADFTTUGSHD-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349791;MM349791;C#CC(=C)C(C)C(N)C=C;BVQWCKTWZLABIL-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349792;MM349792;O=COCC(F)C(=O)C=O;VQGRZWNGKBOPEX-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349793;MM349793;NNC1=NC(=O)C(=O)O1;CMVWZGQAOFQLIX-UHFFFAOYSA-N;129.08;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349794;MM349794;N#CC(=O)C(F)COC=O;OHTMRUFJARMHTP-UHFFFAOYSA-N;145.09;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349795;MM349795;C#CC(=C)C(C)C(O)C=O;LWSFUNNZSGQTDM-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349796;MM349796;CCC=CC=CC(C)CO;FMDGJQHKPYTBLO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349797;MM349797;C#CC(=O)C(C)C(O)C=O;CRKISJYLFKARIE-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349798;MM349798;C=NOCC(O)C(=O)C#N;NRGKBCREPOYYKW-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349799;MM349799;C#CC(=C)C(C)C(F)C=C;NLRFDJGIPMPBNX-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349800;MM349800;C=CCNC(C)C(=C)C=C;HVKBUCZXTVWHQQ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349801;MM349801;C#CC(=C)C(C)C(F)C=O;NNBQDJBVJDWOML-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349802;MM349802;C=CC(=C)C(C)NCC#N;XOJWYUSYNJIJCS-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349803;MM349803;C#CC(=O)C(C)C(F)C=C;AJZKTZRUPCWYLQ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349804;MM349804;C=C(C#N)C(C)NCC#N;SUEDDTQVGGJOBD-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349805;MM349805;C#CC(=C)C(N)C(C)C=C;WOBFYTGPFFDFNK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349806;MM349806;C=CC(=C)C(C)NNC=N;HTEUSHKAIGBMSG-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349807;MM349807;C#CC(=O)C(O)C(C)C=O;CPWXMSVVOKKGPJ-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349808;MM349808;COC=CC=CC(C)CO;VVGZDAKCNDYIFK-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349809;MM349809;C#CC(=C)C(O)C(O)C=O;YXCAXPUPXFPBHV-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349810;MM349810;C=C(C#N)C(C)NNC=N;VMABEQXNSLAQBW-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349811;MM349811;C#CC(=C)C(O)C(O)C#N;MGNGYFXGZJLWRO-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349812;MM349812;CON=CC=CC(C)CO;WMUGBIFSVLBKKS-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349813;MM349813;C#CC(=O)C(O)C(O)C=O;VNIPJLVRLKXFGV-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349814;MM349814;CC(C=CC=CC=O)CO;VHRSTUCKVIZBTF-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349815;MM349815;C#CC(=C)C(O)C(F)C=C;WZLMSWCNOGTMOO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349816;MM349816;CC(NNC=O)C(=O)C=O;KVTDEYXZEUBOCG-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349817;MM349817;C#CC(=O)C(F)C(F)C#N;APRVYGCLYRIFPN-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349818;MM349818;C=CC(=C)C(C)OCC#N;KHOYFZOHLKRHML-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349819;MM349819;C#CC(=C)C(C)N(N)C=N;KAVNUBUEVBOMTI-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349820;MM349820;C=CCOC(C)C(=C)C=O;BQKOEFXESUVSMM-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349821;MM349821;C#CC(=N)N(C)C(C)C=O;YAJVPAVSXVEAGT-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349822;MM349822;C=C(C=O)C(C)OCC#N;XTJKWFJTNXZILO-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349823;MM349823;C#CC(=O)N(N)C(C)C=C;ORCJQIYQGBBFRY-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349824;MM349824;C=C(C#N)C(C)OCC#N;GASOOHBNCBETEX-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349825;MM349825;CC#Cc1cc(N)no1;JRCZDCPBNUGESP-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349826;MM349826;C=CC(=O)C(C)OCC#N;GFUIIWXXEXENFA-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349827;MM349827;C=CCOC(C)C(=O)C#N;CNYMOTDUKDHHJF-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349828;MM349828;C#CC(C)C(C)C(=C)CC;YUGLMTOBTSEBOT-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349829;MM349829;C=CC(=C)C(C)ONC=O;JGBUYSXLRXCOMX-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349830;MM349830;C#CC(C)C(C)C(=C)CN;IEYDNPANLOOQLF-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349831;MM349831;C=CC(=N)N(C)CCC#N;RRFSDBRPJGTVTJ-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349832;MM349832;C#CC(C)C(C)C(=C)CF;ZGLZCVAMDUCWRO-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349833;MM349833;CC(C=CC=CC#N)CO;DMXYPWZTGFBCNP-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349834;MM349834;C#CC(C)C(C)C(=O)CC;HPCWXHCHRLXZOD-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349835;MM349835;CN(CCC=O)C(=O)C=O;LKYLXVQRTXKHCG-UHFFFAOYSA-N;143.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349836;MM349836;C#CC(N)C(C)C(=C)CC;WXQSPNRHNBVUCX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349837;MM349837;CN(CCC#N)C(=O)C#N;JGGONWKRVKVGSA-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349838;MM349838;C#CC(N)C(C)C(=C)CN;ZSGNDFVSSYVLGH-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349839;MM349839;C=CCCN(N)C(=N)C=C;WONOUCWLIJQBCA-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349840;MM349840;C#CC(O)C(C)C(=C)CC;LGIVXQLUEWQKKI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349841;MM349841;C#CC=CC=CC(C)CO;NHPJCSNVRCCTCP-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349842;MM349842;C#CC(O)C(C)C(=O)CC;KSLYBBWUBDANHN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349843;MM349843;C=NN(C)C(CC=O)=NC;DLFIKRZROXUSKL-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349844;MM349844;C#CC(O)C(C)C(=O)CO;GLJDUCDTHOCXMQ-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349845;MM349845;CN(NCC#N)C(=N)C=O;NHHGTFLORUCTON-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349846;MM349846;C#CC(F)C(C)C(=O)CO;SZULNLBVJGUNHU-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349847;MM349847;CN(NCC#N)C(=N)C#N;WJDVHOCJQGZKBP-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349848;MM349848;C#CC(C)C(N)C(=C)CC;OPLJVHRYRLDDTJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349849;MM349849;CN(NCC#N)C(=O)C=O;PRIAYWDNSLJNSL-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349850;MM349850;C#CC(C)C(N)C(=C)CF;LMGBBYGSKJDWAI-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349851;MM349851;Cc1noc(=NNC=N)o1;JEKIZMIUQOADCF-UHFFFAOYSA-N;142.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349852;MM349852;C#CC(C)C(O)C(=C)CF;VXPOPDVMBDOBSA-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349853;MM349853;CN(NCC#N)C(=O)C#N;DMRLAXLLTRVHHD-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349854;MM349854;C#CC(N)C(O)C(=C)CC;JTHRSSMIAXQXON-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349855;MM349855;C=CC(=N)N(C)OCC=O;SDYZARPPFVHGJN-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349856;MM349856;CN(OCC#N)C(=N)C=O;RPDZWGAGFRICSG-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349857;MM349857;C#CC(N)C(O)C(=C)CF;JGKKRQWMBWCCQH-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349858;MM349858;C=CC(=O)N(C)OCC#N;KFZBUDIQCQSARF-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349859;MM349859;C#CC(O)C(O)C(=O)CO;JOMOIMZAIBUQJQ-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349860;MM349860;CN(OCC=O)C(=O)C=O;GNIGAYMGXFRDHR-UHFFFAOYSA-N;145.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349861;MM349861;C#CC(O)C(O)C(=O)CF;DGHULUDTSATYMW-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349862;MM349862;CN(OCC#N)C(=O)C=O;ICDUMKWIMXQWER-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349863;MM349863;C#CC(F)C(O)C(=C)CO;BYXWYYZULJBXMN-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349864;MM349864;C#CCCC(C)C(=C)C=C;CMMBVERMWFURPJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349865;MM349865;C#CC(F)C(O)C(=C)CF;LHVUACZSBAYNFJ-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349866;MM349866;C#CCCC(C)C(=C)C=O;OTFVXGBILYJBFM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349867;MM349867;C#CC(F)C(O)C(=O)CO;TZJRAFIHRGSRHD-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349868;MM349868;C#CCCC(C)C(=C)C#N;LIFMVSVGEHDQLX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349869;MM349869;C#CC(C)C(F)C(=C)CO;GXVSZLSMQBECRS-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349870;MM349870;C#CCCC(C)C(=O)C=C;PDFAGXQATMIION-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349871;MM349871;C#CC(O)C(F)C(=C)CO;PIWCMGCHTUSPGE-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349872;MM349872;C#CCCC(C)C(=O)C#N;URDFMPJKNFNAMT-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349873;MM349873;C#CC(O)C(F)C(=C)CF;VUNQCPMLVQOZNE-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349874;MM349874;C#CCCC(N)C(=C)C=C;FUUVJILGHGYJLV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349875;MM349875;C#CC(C)C(C)C(=N)NN;QFOQPWABGODZTK-UHFFFAOYSA-N;139.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349876;MM349876;C#CCCC(O)C(=C)C=O;IXKCDYHUGWERCZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349877;MM349877;C#CC(C)C(C)C(=N)NO;UMFUUIURQMVWEM-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349878;MM349878;C#CCCC(F)C(=C)C#N;CGERQKCGODRDFT-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349879;MM349879;C#CC(C)C(C)C(=O)NC;JZDVDJSMROJUGQ-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349880;MM349880;C#CCCC(F)C(=O)C#N;PBVYOPQVGPEPBO-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349881;MM349881;C#CC(O)C(C)C(=N)NN;OJQYQXMKUAASCN-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349882;MM349882;C#CCNC(C)C(=C)C#N;LPDITLHPNHTVFP-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349883;MM349883;C#CC(F)C(C)C(=O)NO;DVBWRWZTDMXPOC-UHFFFAOYSA-N;145.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349884;MM349884;C#CCOC(C)C(=C)C=C;MNYKXEPDQNMBCN-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349885;MM349885;C#CCOC(C)C(=O)C=C;CHAKHTXDTDDOQH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349886;MM349886;C#CC(C)C(N)C(=N)NC;VRNBRSAKRIZZHS-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349887;MM349887;C#CCOC(C)C(=O)C#N;IGQOAAPROBWCBG-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349888;MM349888;C#CC(N)C(N)C(=N)NC;YGUANSUQJCBIGO-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349889;MM349889;C#CCCN(C)C(=N)C=O;MOOGRIWSCBETID-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349890;MM349890;C#CC(O)C(N)C(=N)NC;BYYNYLACCGBJKR-UHFFFAOYSA-N;141.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349891;MM349891;C#CCCN(C)C(=N)C#N;KRQOFURPVRTMNR-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349892;MM349892;C#CC(C)C(O)C(=N)NN;XFSDVMNMJYUQQK-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349893;MM349893;C#CCCN(C)C(=O)C=O;ROVQZONYFKZCQD-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349894;MM349894;C#CC(C)C(O)C(=O)NC;IULOOTKDTSJJEN-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349895;MM349895;C#CCCN(N)C(=N)C=C;DBHIMEIQPHXNSI-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349896;MM349896;C#CCC(=C)C1CC1O;MJEKHTAUUSCPBX-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349897;MM349897;C#CCCN(N)C(=O)C=C;OYBMDGDLHDTORR-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349898;MM349898;C#CC(C)C(O)C(=O)NO;ZPBYTNUZUMXTAB-UHFFFAOYSA-N;143.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349899;MM349899;C#CCCN(O)C(=N)C=C;SPKRXZFBAGNCQN-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349900;MM349900;C#CC(N)C(O)C(=N)NC;FJMXFCUMQHZCCW-UHFFFAOYSA-N;141.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349901;MM349901;CCC(C=O)NN=CC=O;VSNJHTVRSWBARP-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349902;MM349902;C#CC(O)C(O)C(=N)NN;WQFTZJDOUAJLNH-UHFFFAOYSA-N;143.15;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349903;MM349903;C#CCNN(C)C(=N)C=C;SESONYWNOVGMLM-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349904;MM349904;C#CC(O)C(O)C(=O)NN;UINOJLUUFCSHHN-UHFFFAOYSA-N;144.13;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349905;MM349905;C#CCNN(C)C(=N)C=O;KWYIQGVBCZJPAW-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349906;MM349906;C#CC(O)C(O)C(=O)NO;YWEUMCXWSIPTIL-UHFFFAOYSA-N;145.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349907;MM349907;C#CCON(C)C(=N)C=C;MPEMHNASDYZXLX-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349908;MM349908;C#CC(C)C(F)C(=O)NC;TXFUHUREHGFPIC-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349909;MM349909;C#CCON(C)C(=O)C=C;YUACLRFKNOJJQH-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349910;MM349910;C#CC(C)C(C)C(=O)OC;OFDJFABNFYSRBJ-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349911;MM349911;C#CC(=C)C(C)CCCC;ZDGAEVWJNLAJGK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349912;MM349912;C#CC(C)C(O)C(=C)OC;QHHUJHLMNRLBKQ-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349913;MM349913;C#CC(=C)C(C)CCCN;HMKCBRORWSCGAR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349914;MM349914;C#CC(N)C(O)C(=C)OC;HHIHGADNTHHEEG-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349915;MM349915;C#CC(=O)C(C)CCCF;AUKLGKNUEDOLHV-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349916;MM349916;C#CC(O)C(O)C(=O)OC;FRPQLPJXSTYXLV-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349917;MM349917;CC#CC1=CC(CO)CC1;KEHYKPXMNQMOAV-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349918;MM349918;C#CC(O)C(F)C(=C)OC;BTGXOBATYIPWMM-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349919;MM349919;C#CC(=C)C(F)CCCN;GGPXZWLKIXUHNH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349920;MM349920;C#CC(F)C(F)C(=O)OC;ISCMGAHTDYNCRK-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349921;MM349921;C#CC(=C)C(C)CCNC;MNGJKWAFMAVQRZ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349922;MM349922;C#CC(=C)C(C)CCOC;USRAZXXTJNWREU-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349923;MM349923;C#CC(C)N(C)C(=N)CN;OWGNBIBIKIUFRX-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349924;MM349924;C#CC(=O)C(O)CCOC;LJBNEFLSCQBJGH-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349925;MM349925;C#CC(C)N(C)C(=N)CO;CAQWJTFQGGBPAM-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349926;MM349926;C#CC(=C)C(C)CNCC;PZPWUOOUFSHKAM-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349927;MM349927;C#CC(C)N(C)C(=O)CO;IUVAIYMLPQJITA-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349928;MM349928;C#CC(=C)C(O)CNCC;QLZFCRNFTXXCHT-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349929;MM349929;C#CC(C)N(C)C(=N)NN;XNMQUBJTYXONCN-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349930;MM349930;C#CC(=C)C(F)CNCC;PYZWXHZDONDKGT-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349931;MM349931;C#CC(C)N(C)C(=N)NO;RYBOYJBWKIAUMZ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349932;MM349932;C#CC(=C)C(C)COCC;HXPKGTVWRJOLFO-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349933;MM349933;O=CC1CCN(C=O)C1;JWCBVWTYMZHFBB-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349934;MM349934;C#CC(=C)C(O)COCC;YRVHKAPYGAXWED-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349935;MM349935;C#CC(C)N(C)C(=O)NO;UYGXMCBNZCGFOU-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349936;MM349936;C#CC(=O)C(O)COCC;SJGQKMJNZGBSHK-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349937;MM349937;C#CC(C)N(N)C(=N)NC;CVUGISSBCZJYGU-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349938;MM349938;C#CC(=C)C(C)NCCC;ASWPQHUNMXEWIH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349939;MM349939;C#CC(C)N(N)C(=N)NN;LAEXDNXRNJNIND-UHFFFAOYSA-N;141.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349940;MM349940;C#CC(=C)C(C)OCCC;OTMISQHFRXUYEQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349941;MM349941;C#CC(C)N(N)C(=N)NO;DEWWBPHYOGJGBY-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349942;MM349942;C#CC(=C)C(C)OCCN;VLIXFFNQCAKJHE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349943;MM349943;CC1C(O)C1CCC#N;FQWWYOTXSCNSMV-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349944;MM349944;C#CC(=C)C(C)OCCO;GNLSDXLBVJHCAP-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349945;MM349945;N#CCNC1CC1C=O;GYZOFPUHTAOUNW-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349946;MM349946;C#CC(=N)N(O)CCCN;CQJZKWGTOZHDLW-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349947;MM349947;C#CC(C)N(N)C(=O)NO;WAQOOWOOTSMVDT-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349948;MM349948;C#CC(=O)N(O)CCCN;OUTWADIJLJPHPU-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349949;MM349949;C#CC(C)N(O)C(=N)NN;WMYDNKXBTIEMLE-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349950;MM349950;C#CC(=O)N(O)CCCO;YPJGQVNTTVCIKT-UHFFFAOYSA-N;143.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349951;MM349951;C#CC(C)N(O)C(=O)NC;RRLMSKUQWNGWND-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349952;MM349952;C#CC(=N)N(C)CCNC;QIAZTBQEMWVMTA-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349953;MM349953;C#CC(C)N(C)C(=O)OC;KPWLBHOFGWBMKT-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349954;MM349954;C#CC(=O)N(N)CCNC;CHFCOSLLJRVYHY-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349955;MM349955;C#CC(C)C(C)C(=C)C=C;GXYKSGIYQPPPPG-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349956;MM349956;C#CC(=O)N(C)CCOC;PRNJKDJBVLJAFE-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349957;MM349957;C#CC(C)C(C)C(=C)C=O;FUHAYEGZVBGMJM-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349958;MM349958;C#CC(=O)N(N)CCOC;XBXKYKXDIDHZTF-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349959;MM349959;C#CC(C)C(C)C(=O)C=C;RCEBOHWKVJIVLZ-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349960;MM349960;C#CC(=N)N(C)OCCN;ARTDTJTXZDAFCQ-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349961;MM349961;C#CC(N)C(C)C(=C)C=C;GFUWHKLRDMXHNA-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349962;MM349962;C#CC(=O)N(C)OCCN;RRQUTIIOLYFLAE-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349963;MM349963;C#CC(O)C(C)C(=C)C=C;YDZNLKGUAAOGJC-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349964;MM349964;C#CC(=O)N(C)OCCO;YJLMGIMWIBUYCM-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349965;MM349965;C#CC(O)C(C)C(=C)C#N;XZDNORWENJKYRI-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349966;MM349966;C#CC(=C)C(C)CCC=O;YQSXAVMESDCJRG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349967;MM349967;C#CC(=C)C(O)CNC=O;SUOSCBOZIFGOAE-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349968;MM349968;C#CC(O)C(C)C(=O)C=O;VGIUCAHOWXLLSH-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349969;MM349969;C#CC(=C)C(F)CNC=N;VWCBNRLGVNLBLD-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349970;MM349970;C#CC(O)C(C)C(=O)C#N;NOUCDDODCLPROE-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349971;MM349971;C#CC(=C)C(F)CNC=O;VONCSYLIQHXRNW-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349972;MM349972;C#CC(F)C(C)C(=C)C=C;KPFNBZNXRAQUKN-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349973;MM349973;CCNc1cc(CF)c[nH]1;MOKCUPKIPRJPFI-UHFFFAOYSA-N;142.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349974;MM349974;C#CC(F)C(C)C(=O)C=O;IBLZPSSTJHUVSV-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349975;MM349975;C#CC(=C)C(C)COC=O;AYJHBLVLOFTKJR-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349976;MM349976;C#CC(C)C(N)C(=C)C=C;GGRLTDHWPRONJR-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349977;MM349977;C#CC(=C)C(N)COC=O;SYHDQPAGOBJHAG-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349978;MM349978;C#CC(N)C(N)C(=C)C=C;GJPCIBNVQDAFCP-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349979;MM349979;C#CC(=O)C(O)COC=C;JRMMFBNACGQJLV-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349980;MM349980;C#CC(C)C(O)C(=C)C=O;AFKABFUZAGOBRY-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349981;MM349981;C#CC(=O)C(O)COC=O;YKTJSQJBIYMQCT-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349982;MM349982;C#CC(C)C(O)C(=C)C#N;QANSJKCVZPMQQP-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349983;MM349983;C#CC(=C)C(C)NCC=C;WMEUPLUVDADCDT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349984;MM349984;C#CC(O)C(O)C(=C)C=C;WUYQTSHVTLJKIF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349985;MM349985;CC1=C(CC#N)CCC1O;WMWWZJRSGDSEDG-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349986;MM349986;C#CC(O)C(O)C(=C)C#N;RXMZXTGHTGNPTL-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349987;MM349987;C#CC(=C)C(C)NNC=N;SQSLPAFWVVYRSJ-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349988;MM349988;C#CC(O)C(O)C(=O)C=O;IQWRJPONDHCEMW-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349989;MM349989;C#CC(=C)C(C)OCC#N;CQZICURTULPUER-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349990;MM349990;C#CC(O)C(O)C(=O)C#N;DEPZUBZTFHQTEC-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349991;MM349991;C#CC(=C)C(C)ONC=N;YBTFYRICHPDVJE-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349992;MM349992;C#CC(F)C(O)C(=O)C#N;FWVPKIOFADSNSO-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349993;MM349993;C#CC(=O)N(C)CCC#N;FUDRNSFGWQBOSP-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349994;MM349994;C#CC(F)C(F)C(=O)C#N;OEALXPXVQMBZLL-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349995;MM349995;C#CC(=O)N(C)NCC#N;UMUVEBBHDMRSBF-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349996;MM349996;C#CC(C)N(N)C(=O)C=C;MLHGOFXRKMTOIJ-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349997;MM349997;C#CCCC(C)C(=C)C#C;AMQWWWGFULPARI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349998;MM349998;C#CC(C)N(O)C(=N)C#N;KFQHTXIFDIFUGD-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM349999;MM349999;C#CCCC(C)C(=O)C#C;SMWPBKQIYWFRFX-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350000;MM350000;C#CC(=C)C(C)C(C)C#C;MRVUCLBBBUBXTR-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350001;MM350001;C#CCCC(N)C(=C)C#C;YSNNPVANIWSTIB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350002;MM350002;C#CC(=O)C(C)C(C)C#C;BAPDJGHSNVSTKY-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350003;MM350003;C#CCOC(C)C(=C)C#C;QYRHJWXOVRBZRN-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350004;MM350004;C#CC(=C)C(C)C(N)C#C;HQHFDSKLMRGINR-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350005;MM350005;C#CCOC(C)C(=O)C#C;LKXTXIIQLIGZBI-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350006;MM350006;C#CC(=C)C(C)C(O)C#C;XESMRWLOOVDWMC-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350007;MM350007;C#CCCN(C)C(=N)C#C;PNROXEZFVWDSST-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350008;MM350008;C#CC(=C)C(N)C(N)C#C;RMHXLEOTJOXTAO-UHFFFAOYSA-N;134.18;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350009;MM350009;C#CCCN(C)C(=O)C#C;OUJVQDSEBJPCGZ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350010;MM350010;C=CC#CC(=C)C(C)(C)O;XGKDANXKRCSMQI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350011;MM350011;C=C(CCCC)C(C)CC;GJOIAKZMPIGQBO-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350012;MM350012;C#CC(=C)C(O)C(F)C#C;PDHPSTYUXRKJEY-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350013;MM350013;C=C(CCCC)C(C)CN;AZCGBAILUHKCCV-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350014;MM350014;C#CC(=O)C(F)C(F)C#C;LHZJIFGJALLUKU-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350015;MM350015;C=C(CCCF)C(C)CN;WHJRZGRRZYNEHR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350016;MM350016;C#CC(=N)N(C)C(C)C#C;BWOREWGBKVJYGU-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350017;MM350017;C=C(CCCN)C(C)CF;LVALXSLDKLCALW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350018;MM350018;C#CC(=O)N(C)C(C)C#C;IDGZMXCETIWPLQ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350019;MM350019;C=C(CCCF)C(C)CF;JJAYBPMVEWTWBZ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350020;MM350020;C#CC(=O)N(N)C(C)C#C;CMMGHFWGYRDINM-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350021;MM350021;C=C(CCCC)C(N)CC;QIVRJTNTPWTBED-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350022;MM350022;C=C(CC)C(C)C(=C)CN;BSVVRSYARNGXTC-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350023;MM350023;C=C(CCCN)C(N)CC;FJARCYWRYXQQKL-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350024;MM350024;C=C(CC)C(C)C(=C)CF;GJMIKKGAVFRBDO-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350025;MM350025;C=C(CCCF)C(N)CC;HFXAUONXLIJPSR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350026;MM350026;C=C(CF)C(C)C(=C)CF;ZZPADLIDFPUJLP-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350027;MM350027;C=C(CCCC)C(N)CN;OIKAJJLBJKMNPH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350028;MM350028;C=C(CF)C(C)C(=O)CC;SAEUNALUGNTYLQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350029;MM350029;C=C(CCCO)C(N)CN;RFHFMZQQUOQDTM-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350030;MM350030;C=C(CF)C(C)C(=O)CF;WGJUQWLTQQXOHD-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350031;MM350031;C=C(CCCC)C(N)CF;IMNACDKZPUXEAR-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350032;MM350032;CCC(=O)C(C)C(=O)CC;FIJLPSJMPXGRJL-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350033;MM350033;C=C(CCCN)C(O)CC;DSJWPPSNCCCQQG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350034;MM350034;CC(C(=O)CO)C(=O)CO;GPALTKMNAYFADI-UHFFFAOYSA-N;146.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350035;MM350035;NC=CC(=O)C1NC1C=O;IVKFMBMTGQHRIC-UHFFFAOYSA-N;140.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350036;MM350036;C=C(CC)C(N)C(=C)CC;PYXQBDLZQLGVMY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350037;MM350037;C=C(CCCC)C(O)CN;IBNCMBAEWPNYRL-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350038;MM350038;C=C(CC)C(N)C(=C)CO;JWKIHHAQBOKTKD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350039;MM350039;C=C(CCCO)C(O)CN;PCWBUEJUTCUJFH-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350040;MM350040;C=C(CO)C(N)C(=C)CO;BJQHYDQNZNYXFI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350041;MM350041;C=C(CCCF)C(O)CN;SGCAVXAAMZEDEZ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350042;MM350042;C=C(CO)C(N)C(=C)CF;XXOBOPOPQZIXJT-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350043;MM350043;C=C(CCCC)C(O)CO;KFAOGKKVHLIVEY-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350044;MM350044;C=C(CN)C(O)C(=C)CF;JUTYCRHEBAFRBH-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350045;MM350045;C=C(CCCN)C(O)CO;ONMYQCRTBYUCFI-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350046;MM350046;C=C(CF)C(O)C(=C)CF;DTDSVDIEIAJUEA-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350047;MM350047;C=C(CCCN)C(O)CF;UTVPDZOCXKSDNI-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350048;MM350048;C=C(CF)C(O)C(=O)CF;AKDVJGLEKCPUMS-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350049;MM350049;C=C(CCCO)C(O)CF;XXBVAUPSOINTNB-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350050;MM350050;C=C(CO)C(F)C(=O)CC;HYHFPFTVGXRZQJ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350051;MM350051;C=C(CCCN)C(F)CC;KXFZHJIFMNNPLY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350052;MM350052;C=C(CF)C(F)C(=O)CO;SNTQIKDYPGHONW-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350053;MM350053;C=CN=CNN=CON=C;LMOSLVAJNBIRAB-UHFFFAOYSA-N;140.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350054;MM350054;C=C(CCCC)C(F)CN;RMMVEAQBPFZRFZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350055;MM350055;C=C(CO)C(C)C(=N)NN;RCTHHMIYUKKAFZ-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350056;MM350056;C=C(CCCN)C(F)CN;PUAVLQOBCVHMLF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350057;MM350057;C=C(CO)C(C)C(=N)NO;GBHYUZMVRXCNKR-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350058;MM350058;C=C(CCCN)C(F)CO;ALMOFTWLRNDQAA-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350059;MM350059;C#CC#CC=CC(C)(C)O;XKLZUILNQFRQJV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350060;MM350060;C=C(CCCN)C(F)CF;UPQFTLFYIFTKBW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350061;MM350061;C=C(CN)C(C)C(=O)NO;GWPUROJJXLPLFL-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350062;MM350062;CCC1=NCC(NN)=NN1;PAZWKMZNJIWUKC-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350063;MM350063;CCC(=O)C(C)C(=N)NC;XUOUQDJVQRUNKE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350064;MM350064;C=C(CCCF)C(F)CF;NLGJCIXDALQWML-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350065;MM350065;CCC(=O)C(C)C(=O)NO;VRQSQEYEWWDFGZ-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350066;MM350066;CC(CF)C(=O)CCCF;XQRFEKMNGONZOD-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350067;MM350067;C=C(CN)C(O)C(=N)NC;NMJCAHRWZDRCFH-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350068;MM350068;CCC(O)C(=O)CCCF;DNMSMKZSNVCXPM-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350069;MM350069;C=C(CN)C(O)C(=N)NO;BKBGUQRISJCOAJ-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350070;MM350070;O=C(CCCF)C(O)CF;PAJHPIHWYARYPE-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350071;MM350071;C=C(CO)C(O)C(=N)NC;NXXFEJLOFWKNLB-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350072;MM350072;CCCCC(=O)C(F)CC;IAGWCZQCXJDYEY-UHFFFAOYSA-N;146.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350073;MM350073;C=C(CO)C(O)C(=N)NN;WRRPTPCBIYSWGN-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350074;MM350074;O=C(CCCF)C(F)CO;ZEKYIRFJCPNTBG-UHFFFAOYSA-N;152.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350075;MM350075;C=CCC(C)(C)C(=C)CO;PNESTDPOLJRGHP-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350076;MM350076;O=C(CCCF)C(F)CF;QXMNFUANKDJUPF-UHFFFAOYSA-N;154.13;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350077;MM350077;C=C(CN)C(O)C(=O)NC;OLDXNMOBPZJWGI-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350078;MM350078;C=C(CCNC)C(C)CF;DXRWVDJSKSNFNS-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350079;MM350079;C=C(CN)C(O)C(=O)NO;PWSLZAVJSCHPER-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350080;MM350080;C=C(CCNC)C(N)CC;LUKPNARTADRWNT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350081;MM350081;C=C(CO)C(O)C(=O)NC;FRRVAUJWMVCKLF-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350082;MM350082;C=C(CCNC)C(N)CN;HWTQSGDBXYNJEW-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350083;MM350083;C=C(CO)C(O)C(=O)NO;CBTSHSCOABOFOC-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350084;MM350084;C=C(CCNC)C(N)CO;NSVQSMIDDOFJIH-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350085;MM350085;CC(C=CC=O)=CC(C)O;XBXGNGLLUHFTTE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350086;MM350086;C=C(CCNC)C(N)CF;WOYPZPJROMVRPL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350087;MM350087;C=C(CF)C(O)C(=O)NO;MVBWTPXRXJISLW-UHFFFAOYSA-N;149.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350088;MM350088;C=C(CCNC)C(O)CC;ATUAYXWZHUROOK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350089;MM350089;CN=C(N)C(O)C(=O)CO;YWXBDXBYMVYBLV-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350090;MM350090;C=C(CCNC)C(F)CC;JFMNBRIEAPEOLF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350091;MM350091;CN=C(N)C(O)C(=O)CF;BBEWOANTVHUMCE-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350092;MM350092;C=C(CCNC)C(F)CF;WAFQVAHVNABIHI-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350093;MM350093;C=C(CC)C(F)C(=O)NN;YTQQNHMCSMMFLX-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350094;MM350094;COCCC(=O)C(C)CO;VALHRPFKYCIRQL-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350095;MM350095;CCC(=O)C(F)C(=O)NO;PVCWJJDKWHVHQB-UHFFFAOYSA-N;149.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350096;MM350096;C=C(CCCC)C(C)NC;GGQIUOJUFCCNDW-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350097;MM350097;CNC(=O)C(F)C(=O)CO;KTAPTHWVNLIRIW-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350098;MM350098;C=C(CCCF)C(C)NC;ZKMGDYMRJQXJFQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350099;MM350099;C=C(CC)C(C)C(=C)OC;VFMPSMVFSSWGER-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350100;MM350100;CCCCC(=O)C(C)NC;YDKPIHJDNATXGE-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350101;MM350101;C=C(CO)C(C)C(=O)OC;XEALYBIZWFVGEQ-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350102;MM350102;CNCCC(=O)C(C)NC;BRXODCPJHHNZSR-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350103;MM350103;C=C(OC)C(C)C(=O)CC;JWZKXEGYXZBQIK-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350104;MM350104;C=C(CCOC)C(C)NC;GBLPQVQYMKWQEJ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350105;MM350105;C=C(OC)C(C)C(=O)CO;JFRSWMMAMSONOY-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350106;MM350106;C=C(CCCC)C(C)OC;KSYPGPFMJBMDTI-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350107;MM350107;CCC(=O)C(C)C(=O)OC;AVNZOGNVFGETNQ-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350108;MM350108;C#CCCC(C)CO;WNTUUJOAMNHTJM-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350109;MM350109;COC(=O)C(C)C(=O)CO;WYHCEOLNHDSGNJ-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350110;MM350110;COC(C)C(=O)CCCF;KOOULVUNXLXYRI-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350111;MM350111;C=C(CC)C(O)C(=O)OC;IHXNCCDLQRTHCV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350112;MM350112;C=C(CCNC)C(C)OC;WDCAYZKIWLYDDK-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350113;MM350113;C=C(CN)C(O)C(=O)OC;NNPBEVDEXNHPEB-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350114;MM350114;C=C(CNCC)C(C)CC;OWSQGOFATXRKQY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350115;MM350115;C=C(CF)C(O)C(=O)OC;WVPCBCJZOUIFNG-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350116;MM350116;C=C(CNCC)C(C)CN;CFDKBAGMWWHXAR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350117;MM350117;C=C(OC)C(O)C(=O)CO;NPWSWCKTTXCTOL-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350118;MM350118;C=C(CNCC)C(N)CC;BSENKVZWAFYWFY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350119;MM350119;CCC(=O)C(O)C(=O)OC;VJQKGFRFCYAUQF-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350120;MM350120;C=C(CNCC)C(N)CO;QEOCAGCBRKMXBH-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350121;MM350121;COC(=O)C(O)C(=O)CO;IMCMNMCVEPFQOI-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350122;MM350122;CCNCC(=O)C(C)NC;ZYUAJKPRMXLYGQ-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350123;MM350123;CNC(=N)C(C)C(=N)NC;WHFOKKCKWMDTEB-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350124;MM350124;CCNCC(=O)C(C)OC;XGXRPPITVSIWOJ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350125;MM350125;CNC(=N)C(C)C(=N)NN;DKTPSWZSQNYGAD-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350126;MM350126;C=C(COCC)C(C)CC;WEKWWUWCMWLTDF-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350127;MM350127;CNC(=N)C(C)C(=N)NO;VJOPKRPWTLIBSP-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350128;MM350128;C=C(COCC)C(N)CN;FEYKHPOSJJJRTA-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350129;MM350129;CNC(=N)C(C)C(=O)NC;SRQWDKQHZWCRCE-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350130;MM350130;C=C(COCC)C(O)CC;TUBWJGYIXMHGJK-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350131;MM350131;CNC(=N)C(N)C(=N)NC;DASWCDVXKHDACN-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350132;MM350132;C=C(COCC)C(O)CN;ZXAWILORXMNNDD-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350134;MM350134;CNC(=N)C(N)C(=N)NO;KAIIBLNOOYXRRP-UHFFFAOYSA-N;145.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350133;MM350133;C=C(COCC)C(F)CO;XFXUWXXOIVCVSU-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350135;MM350135;CCOCC(=O)C(O)CO;LXBCBJDYPDRMJL-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350136;MM350136;CNC(=N)C(O)C(=N)NN;LGYBYBHFCXGSKV-UHFFFAOYSA-N;145.17;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350137;MM350137;CCOCC(=O)C(O)CF;SZEKTWSIVAGKCI-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350138;MM350138;CNC(=N)C(O)C(=N)NO;DDZCJINQBUYLAE-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350139;MM350139;CC(CN)C(=N)NCCN;SYTRISCGTVXWKI-UHFFFAOYSA-N;144.22;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350140;MM350140;CN=C(N)C(O)C(=O)NN;YIKKLVQNRYYJDE-UHFFFAOYSA-N;146.15;-2.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350141;MM350141;CCC(N)C(=N)NCCO;UTBCGIBRIPIGGK-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350142;MM350142;C=C(OC)C(C)C(=N)NC;YCFGSOJVWFGSSU-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350143;MM350143;CCC(N)C(=N)NCCF;FVXQHBJXHJTVIN-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350144;MM350144;C=C(C)C1(C)CC(CO)C1;GPAVWMKRFRWDRQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350145;MM350145;CCCNC(=N)C(N)CN;DHRZYUOUDUUBPB-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350146;MM350146;C=C(OC)C(N)C(=N)NC;SAXBWCZSFGHALP-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350147;MM350147;N=C(NCCN)C(N)CO;WZFQXDUXANJBAQ-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350148;MM350148;CNC(=N)C(N)C(=O)OC;UMPGTVGPACQDJN-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350149;MM350149;N=C(NCCO)C(N)CO;QNIGXVYHRKDFRI-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350150;MM350150;COC(=O)C(N)C(=O)NO;BYPUFMXSJRRXMT-UHFFFAOYSA-N;148.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350151;MM350151;CCC(O)C(=N)NCCF;JLINXEXZDZGGMZ-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350152;MM350152;C=C(OC)C(O)C(=N)NN;NNDLCFCYTNITCN-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350153;MM350153;N=C(NCCO)C(O)CN;WMQWAKDEBPXEDX-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350154;MM350154;C=C(OC)C(O)C(=O)NN;UEGNWTOCISIDFK-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350155;MM350155;N=C(NCCN)C(O)CO;QHXMHJAZRGDAPH-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350156;MM350156;C=C(OC)C(O)C(=O)NO;GCVMKPLBKPLZMX-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350157;MM350157;N=C(NCCO)C(O)CO;XZZWWDUHBGGXBR-UHFFFAOYSA-N;148.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350158;MM350158;C=C(OC)C(F)C(=O)NO;CLFGSCMGNBRGNH-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350159;MM350159;CCCNC(=N)C(O)CF;UMPRUPTZNFKXBC-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350160;MM350160;C=C(OC)C(O)C(=C)OC;FRVPGYOTCMSVFI-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350161;MM350161;N=C(NCCN)C(O)CF;ZCEQZOMCAHICPZ-UHFFFAOYSA-N;149.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350162;MM350162;C=C(OC)C(F)C(=O)OC;WNJWWTCDIJBFIQ-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350163;MM350163;CCCNC(=O)C(C)CN;CHBSTXQZJQQZNG-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350164;MM350164;C=C(CC)N(C)C(=N)CC;XAXGYBMLGVBCQC-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350165;MM350165;CCCNC(=O)C(C)CF;RGLYYBKVKFRPOC-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350166;MM350166;C=C(CO)N(C)C(=N)CC;MUFABRNKTXUSQC-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350167;MM350167;CCCNC(=O)C(N)CC;WKTDYVDQRCXODR-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350168;MM350168;C=C(CF)N(C)C(=N)CC;KZYQTEYLXNXXID-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350169;MM350169;NCCNC(=O)C(N)CO;CTXWIHCKLFJEAO-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350170;MM350170;C=C(CC)N(C)C(=O)CC;JBKLRAKIFFXUGJ-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350171;MM350171;NCCNC(=O)C(N)CF;JXCLQVWUIOALST-UHFFFAOYSA-N;149.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350172;MM350172;C=C(CF)N(C)C(=O)CF;ALZQPXSTILLSGC-UHFFFAOYSA-N;149.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350173;MM350173;CCCNC(=O)C(O)CN;XOHLJCCRNHBBII-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350174;MM350174;CCC(=N)N(C)C(=N)CC;JKKUJLYJIFQIHN-UHFFFAOYSA-N;141.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350175;MM350175;NCC(O)C(=O)NCCO;ONINOMKKPZVBFH-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350176;MM350176;CCC(=N)N(C)C(=N)CN;FAQLDHDUAJESAI-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350177;MM350177;NCCNC(=O)C(O)CO;DDOSAVXKRQQOFE-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350178;MM350178;CCC(=N)N(C)C(=N)CO;FYTUPSWEZFDPTK-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350179;MM350179;O=C(NCCO)C(O)CO;RZPJQLUVIIOPQF-UHFFFAOYSA-N;149.15;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350180;MM350180;CCC(=N)N(C)C(=O)CC;HCVINJVTBUBOLE-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350181;MM350181;CCCNC(=O)C(O)CF;FAWSYCAGZPPGPA-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350182;MM350182;CC(=O)C1(C)CC(CO)C1;QSVXWPBSSCSORL-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350183;MM350183;NCCNC(=O)C(F)CO;FLJUWDDSMDCLMT-UHFFFAOYSA-N;150.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350184;MM350184;CN(C(=N)CO)C(=O)CO;WWAASGHQLPLPAJ-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350185;MM350185;O=C(NCCO)C(F)CO;PQEIFWMWTGNQTK-UHFFFAOYSA-N;151.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350186;MM350186;C=CC(C=C(C)F)CCO;OVOCIHSINILPTQ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350187;MM350187;O=C(NCCF)C(F)CO;RVTPYJPXMMQTJO-UHFFFAOYSA-N;153.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350188;MM350188;CN(C(=N)CF)C(=O)CO;RROUZKWNLKPZED-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350189;MM350189;CCCNC(=N)C(C)NC;AOIFMTOBPXLKDN-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350190;MM350190;CCC(=O)N(C)C(=O)CC;CLHQQPCLPLOCGE-UHFFFAOYSA-N;143.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350191;MM350191;CNC(C)C(=N)NCCN;NKEKTUPKDCHERR-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350192;MM350192;CCC(=O)N(C)C(=O)CO;AUCDSJOOEHFFKJ-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350193;MM350193;CNC(C)C(=O)NCCO;ZUPVABKHDNAZOS-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350194;MM350194;CN(C(=O)CO)C(=O)CF;MNLKCWXFRVCCHQ-UHFFFAOYSA-N;149.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350195;MM350195;COC(C)C(=N)NCCN;DSOWVWREZMTUHQ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350196;MM350196;C=C(CO)N(N)C(=N)CO;DZCBDJYBLVZZLJ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350197;MM350197;COC(C)C(=N)NCCO;RIAYASJPUSMGRH-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350198;MM350198;C=C(CC=O)CON=CC;JUBZTHWZERKVJP-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350199;MM350199;COC(C)C(=N)NCCF;VWOCYWCXMBVVDR-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350200;MM350200;C=C(C=NN=CC)CC=O;OUGRYGDCTWFABA-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350201;MM350201;COC(C)C(=O)NCCN;ZRNRIEJXCWWYLS-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350202;MM350202;CCC(=N)N(N)C(=N)CO;ASENETUSBKIGMX-UHFFFAOYSA-N;144.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350203;MM350203;COC(C)C(=O)NCCO;LBWQKANXTYCIQS-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350204;MM350204;CC(=O)N(C)N(C)CC=O;BENRFWZTWFKCHG-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350205;MM350205;COC(C)C(=O)NCCF;YWRBIXFIHSRXCK-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350206;MM350206;OCCC(C=CF)C=CF;OPNZJBHQJTXZHG-UHFFFAOYSA-N;148.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350207;MM350207;CCNNC(=N)C(C)CC;QUHWQISTQRWAIP-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350208;MM350208;N#CCC1=CC2(O)CC1C2;XUQISCFRISXHMT-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350209;MM350209;CCNNC(=N)C(C)CF;HTVCICHTKXZJAO-UHFFFAOYSA-N;147.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350210;MM350210;C=CC1(CC)CC(CO)C1;AFNJUPXLSNSFDC-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350211;MM350211;C=CC(O)CC=CC;CPGDYOFWPOGTGF-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350212;MM350212;CCC1(C=O)CC(CO)C1;QKDOZOWDVQKAEL-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350213;MM350213;CCNNC(=O)C(C)CN;KEGQDMDCOVZUNC-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350214;MM350214;C=CC1(CO)CC(CO)C1;HUYOGTDZIGGONL-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350215;MM350215;C=Cn1ncc(N)n1;LJMCTHDYWIBXBW-UHFFFAOYSA-N;110.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350216;MM350216;CCONC(=N)C(C)CO;PNMYCUBUNKLYQU-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350217;MM350217;C#CC1(C=C)CC(CO)C1;JYAFZQDGGFYZOP-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350218;MM350218;C=Cc1noc(=NO)[nH]1;ZUFACKQTXUESPF-UHFFFAOYSA-N;127.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350219;MM350219;C#CC1(C=O)CC(CO)C1;OTBTYTAXYDTGGA-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350220;MM350220;C=C(OCCO)C(N)CN;TVIZZJRBIWQEFC-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350221;MM350221;N#CC(F)=CNN=CC=O;ZBUAKBSMIVIVIO-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350222;MM350222;C=C(OCCO)C(N)CO;UYTHZGGNYQISSH-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350223;MM350223;C=C(CF)N(O)C(=N)CC;SPRZCRQFMZNNQS-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350224;MM350224;C=C(OCCC)C(O)CC;XWUFOSWFSDDRKD-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350225;MM350225;C=C(CC)N(O)C(=O)CO;YGSTZUVXCKQPEL-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350226;MM350226;C=C(OCCO)C(O)CN;RYEKWRJDAUMGLP-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350227;MM350227;C=C(CO)N(O)C(=O)CC;JNHCSLKLDRHAPI-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350228;MM350228;C=C(OCCC)C(O)CO;HDDCYTDVEFBAKS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350229;MM350229;CNC(=NOC)C(F)C=O;LHAXPINTTSROTD-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350230;MM350230;C=C(OCCF)C(O)CO;DVZOFIXOFJTFGF-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350231;MM350231;C=C(CC)N(C)C(=N)NC;ODHZAMSTHKQCKW-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350232;MM350232;C=C(OCCO)C(O)CF;WWBLDYCFTAXUFY-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350233;MM350233;C=C(CN)N(C)C(=N)NC;MQFYYCWJJCACNH-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350234;MM350234;C=C(OCCO)C(F)CC;YPYOFBWEVZWYIU-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350235;MM350235;C=C(CO)N(C)C(=N)NN;OHDKHTBRSBLMRV-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350236;MM350236;C=C(OCCN)C(F)CN;QOEJREYIMGALOB-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350237;MM350237;C=C(CO)N(C)C(=N)NO;GGVCUADQAPAOSJ-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350238;MM350238;CCCOC(=O)C(C)CC;TZFQMSDUSOTCJC-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350239;MM350239;C=C(CC)N(C)C(=O)NC;KDQABXSQFCHBML-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350240;MM350240;CCC(C)C(=O)OCCN;SXDGMSXPLQDQFB-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350241;MM350241;C=C(CN)N(C)C(=O)NC;FXUIVWQEBZXWQU-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350242;MM350242;CCCOC(=O)C(C)CN;BFMURTIRMWONSE-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350243;MM350243;CCC(=CC#N)C(C)CO;GBYGBKGOAXVNTO-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350244;MM350244;CC(CN)C(=O)OCCF;JGJGFPIQDAPKQO-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350245;MM350245;C=C(CO)N(C)C(=O)NO;LQQMXWGWYBWBKO-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350246;MM350246;CCCOC(=O)C(N)CN;BGVARABBBZWIIN-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350247;MM350247;CCC(=N)N(C)C(=N)NC;PCWDTQMIJGJTDA-UHFFFAOYSA-N;142.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350248;MM350248;CCCOC(=O)C(O)CC;JHNDTEVRALJVEI-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350249;MM350249;CCC(=N)N(C)C(=N)NN;UHZCUTALQUKWBT-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350250;MM350250;CCC(O)C(=O)OCCO;DFWZBSUIRATRCX-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350251;MM350251;CCC(=N)N(C)C(=N)NO;NKFAUOMBCILAOR-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350252;MM350252;O=C(OCCO)C(O)CO;VHZFLDJEDISDOU-UHFFFAOYSA-N;150.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350253;MM350253;CN(C(=N)CN)C(=N)NO;JGCNQAKWJYRXOG-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350254;MM350254;O=C(OCCO)C(F)CO;PIUUPRFXOSXLRU-UHFFFAOYSA-N;152.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350255;MM350255;CN(C(=N)CF)C(=N)NN;CJUXSHRGFOGQST-UHFFFAOYSA-N;147.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350256;MM350256;O=C(OCCO)C(F)CF;IILZVYFBLXCYKV-UHFFFAOYSA-N;154.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350257;MM350257;CN(C(=N)CF)C(=N)NO;HYMAUOFITNCFGH-UHFFFAOYSA-N;148.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350258;MM350258;C=C(OCOC)C(C)CC;MLRNBDXGOLTNCM-UHFFFAOYSA-N;144.21;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350259;MM350259;C=CC(C=CC=O)CCO;LZJCUZBUOIIQRY-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350260;MM350260;C=C(OCOC)C(F)CN;SXWFOYUGNIZUTR-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350261;MM350261;CCN(C=O)N(C)CC=O;VOHSKUZNGROGJJ-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350262;MM350262;COCOC(=O)C(N)CF;HYNABXBGFLBIGN-UHFFFAOYSA-N;151.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350263;MM350263;C=CC(C=C)C1CC1CO;SBMBHVZJPYRBHZ-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350264;MM350264;COCOC(=O)C(O)CO;KNAOZLFHBXZDQN-UHFFFAOYSA-N;150.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350265;MM350265;CCC(=O)N(C)C(=N)NC;BVOKBIIXJQPDRE-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350266;MM350266;C=C(OCCC)C(C)OC;YMCJMQOJPHHRRA-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350267;MM350267;CCC(=O)N(C)C(=N)NN;IRTNKUFJJAXJRK-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350268;MM350268;COC(C)C(=O)OCCO;DLJCQCZXVNBRNH-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350269;MM350269;CNC(=N)N(C)C(=O)CN;HRIBZJZASAFWTQ-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350270;MM350270;CCN(C)C(=N)CCCO;DBPAKVGCFVWASI-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350271;MM350271;CNC(=N)N(C)C(=O)CO;COIMYWQUSPKHGS-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350272;MM350272;CCN(C)C(=N)CCCF;MKMQFWKPASITBK-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350273;MM350273;CN(C(=N)NN)C(=O)CO;GUXCNGAZNGIHGZ-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350274;MM350274;CCCCC(=N)N(N)CC;GDRCDKOLZUCLLF-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350275;MM350275;CN(C(=N)NN)C(=O)CF;GTQWWFHGEOVWGP-UHFFFAOYSA-N;148.14;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350276;MM350276;CCCCC(=O)N(C)CC;GXQHMTIDBMCUOS-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350277;MM350277;CCC(=O)N(C)C(=O)NC;NWSJCLKFSKNLLT-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350278;MM350278;CCN(C)C(=O)CCCN;ADPDJIWGNFVBSJ-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350279;MM350279;C=CC(C=O)C1CC1CO;QEIGPBATLUABDE-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350280;MM350280;CCCCC(=O)N(N)CC;WYAWBHZWBARUDS-UHFFFAOYSA-N;144.22;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350281;MM350281;C#CC(CO)C1CC1C=C;TTZQPFJLONUHAF-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350282;MM350282;CCN(C)C(=O)CCNC;ASIZDDJLBXJPDB-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350283;MM350283;C=C(CO)N(N)C(=N)NC;CBKNYSBRWJCGKQ-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350284;MM350284;CCN(O)C(=N)CCOC;CVLFKRPGGPAHHU-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350285;MM350285;C=C(CO)N(N)C(=N)NN;IAHYURHQQGEIDK-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350286;MM350286;CCN(N)C(=O)CCOC;RMWOCYQHAGKLLD-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350287;MM350287;C=C(CO)N(N)C(=N)NO;GDBYPFVNYSJGNJ-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350288;MM350288;CNN(C)C(=N)CCCF;NLDXUFFKIVFQPV-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350289;MM350289;C=CC=NNC=NN=CC;JRLPHBIKCLJMDX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350290;MM350290;CCCCC(=O)N(C)NC;VAYPATXPMVMRLP-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350291;MM350291;CC1C(CCC=O)N1C=O;UOZUBMJJELULLT-UHFFFAOYSA-N;141.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350292;MM350292;CNN(C)C(=O)CCCF;JZOXOERYCSHDFY-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350293;MM350293;C=C(CO)N(N)C(=O)NO;WRETURUNIGBZAN-UHFFFAOYSA-N;147.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350294;MM350294;COCCC(=N)N(C)OC;BFZBXUPXAVFOFK-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350295;MM350295;CCC(=N)N(N)C(=N)NC;JDXASIKEZXREOR-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350296;MM350296;CCNCC(=O)N(C)OC;AAUGGUHYSQSODH-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350297;MM350297;CCOCC(=N)N(C)CC;SVLAVFGFUOUBNF-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350298;MM350298;CCC(=N)N(N)C(=N)NN;JYKGMLHMJOJTIZ-UHFFFAOYSA-N;144.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350299;MM350299;CCOCC(=N)N(C)NC;WSJBJARCNIEHGM-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350300;MM350300;CCC(=N)N(N)C(=N)NO;IJQFZJRXLVLGDT-UHFFFAOYSA-N;145.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350301;MM350301;CCNc1cocn1;VUZOYDXNGWVVAA-UHFFFAOYSA-N;112.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350302;MM350302;CNC(=N)N(N)C(=N)CO;UPHJCEWVGYMFFP-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350303;MM350303;CCCNC(=N)N(C)CC;AVIRYRACTKFRQJ-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350304;MM350304;CNC(=N)N(N)C(=N)CF;SEIXOMVPJZGQLB-UHFFFAOYSA-N;147.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350305;MM350305;CCN(C)C(=N)NCCO;JICXMQJHNXNWKA-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350306;MM350306;N=C(CF)N(N)C(=N)NN;OQLULYFUOMQGTF-UHFFFAOYSA-N;148.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350307;MM350307;CCN(C)C(=N)NCCF;BCJGYJSNOCPBEF-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350308;MM350308;N=C(CF)N(N)C(=N)NO;OACWXBNZDPFFNS-UHFFFAOYSA-N;149.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350309;MM350309;CCN(C)C(=O)NCCN;CVCCBRUFCRBKAZ-UHFFFAOYSA-N;145.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350310;MM350310;C#CC1C(O)C1CCC=C;QUALGUFHMOTIFR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350311;MM350311;CCN(C)C(=O)NCCO;PQZQKVJZPTUFDX-UHFFFAOYSA-N;146.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350312;MM350312;O=CC1=NOC(C=O)OC1;KTNFSJVZJMDWEX-UHFFFAOYSA-N;143.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350313;MM350313;C=CC(C)C1CC1O;HTZOILQYNLTHQW-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350314;MM350314;CCC(=N)N(N)C(=O)NO;QJNMBKLPQUKWCD-UHFFFAOYSA-N;146.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350315;MM350315;CCCNC(=N)N(C)NC;MMIJMFDBOLXDHG-UHFFFAOYSA-N;144.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350316;MM350316;C#CC1CCC1O;JJZZBGWCOBKUSQ-UHFFFAOYSA-N;96.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350317;MM350317;CNN(C)C(=N)NCCN;LJGPKQDRWYCJCH-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350318;MM350318;N=C(CF)N(N)C(=O)NN;OSTLULUFQWQXEC-UHFFFAOYSA-N;149.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350319;MM350319;CNN(C)C(=N)NCCO;BSMUBPPESJGZCU-UHFFFAOYSA-N;146.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350320;MM350320;N=C(CF)N(N)C(=O)NO;ZZQFAFHLIRGSSN-UHFFFAOYSA-N;150.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350321;MM350321;CNN(C)C(=O)NCCN;HTFNETXMQJFVMM-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350322;MM350322;CCC(=O)N(N)C(=N)NC;NNYLKZSRZCIAAE-UHFFFAOYSA-N;144.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350323;MM350323;C=CC(C)CC(C)CO;DOLDZTXHUVNZBL-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350324;MM350324;CCC(=O)N(N)C(=N)NN;IWZIAKAPLIUYAJ-UHFFFAOYSA-N;145.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350325;MM350325;CC(C=O)CC(C)CO;NFOHKHOVEJOZOT-UHFFFAOYSA-N;130.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350326;MM350326;CNC(=N)N(N)C(=O)CO;CNSWSAJXLNKQCW-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350327;MM350327;CON(C)C(=N)NCCN;BYXACHGTUURDFM-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350328;MM350328;CNC(=N)N(N)C(=O)CF;AKYMJPSKVGDLBB-UHFFFAOYSA-N;148.14;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350329;MM350329;CON(C)C(=N)NCCO;IUUKWEDMZDCKQB-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350330;MM350330;C=C(C)C1CC(O)C1;ZQDRBRRKXIQOTQ-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350331;MM350331;CCCNC(=O)N(C)OC;VXNRETSZMXWQAL-UHFFFAOYSA-N;146.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350332;MM350332;NN(C(=O)CO)C(=O)NO;VBUDGCFJTIUXNJ-UHFFFAOYSA-N;149.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350333;MM350333;CON(C)C(=O)NCCN;YITKMLBUMPYZPI-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350334;MM350334;COc1ncc(N)o1;WXLSMMKCZMDCES-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350335;MM350335;CON(C)C(=O)NCCO;GEOZVEDSUATUIA-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350336;MM350336;NNC(=O)N(N)C(=O)CF;OJOFKFCXUKRICG-UHFFFAOYSA-N;150.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350337;MM350337;C=CC#CCCC(C)O;BHUBOMBHPLDXEG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350338;MM350338;NN(C(=O)CF)C(=O)NO;XOIJMOZMMCJBGX-UHFFFAOYSA-N;151.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350339;MM350339;CCONC(=N)N(C)CC;CUKHPYGGCSEBOE-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350340;MM350340;C=C(CO)N(O)C(=N)NC;XFJSHKOHWYQOFM-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350341;MM350341;CCONC(=O)N(N)CC;WQIOFWRHYJOXDZ-UHFFFAOYSA-N;147.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350342;MM350342;C=C(CO)N(O)C(=N)NN;GSYIGCCIXDENDY-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350343;MM350343;CCONC(=N)N(C)NC;HJCBNWRYHQEIOU-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350344;MM350344;C=C(CO)N(O)C(=O)NC;VSPMTKPUXUVFHC-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350345;MM350345;CCN(C)C(=N)OCCO;PUAODXMXDMJJIB-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350346;MM350346;C=C(CO)N(O)C(=O)NN;XPWLEXYWZPLOOS-UHFFFAOYSA-N;147.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350347;MM350347;CC=NOC(C)C(C)=O;LXRJUPXEDFMPJB-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350348;MM350348;C=C(CO)N(O)C(=O)NO;VLRAYASWCRPDIR-UHFFFAOYSA-N;148.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350349;MM350349;CCN(C)C(=O)OCOC;FUXHLGIZVMTMHR-UHFFFAOYSA-N;147.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350350;MM350350;C=C(CF)N(O)C(=O)NN;IAMWQYPSCDYQTJ-UHFFFAOYSA-N;149.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350351;MM350351;C=CC(O)CC=CCC;APFBWMGEGSELQP-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350352;MM350352;CCC(=N)N(O)C(=N)NC;JIGLYKURSBWCJB-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350353;MM350353;CNN(C)C(=O)OCOC;QNCCOCQBHJKJGM-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350354;MM350354;CNC(=N)N(O)C(=N)CN;QSPFAIQFGZXGOA-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350355;MM350355;C=C(CCC#N)C(C)CC;POYQKKPOTVYPAY-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350356;MM350356;CNC(=N)N(O)C(=N)CF;FUTQZSWZQCMEJE-UHFFFAOYSA-N;148.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350357;MM350357;C=NN=CCC(C)C=O;IMERJRIJTXAMPZ-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350358;MM350358;N=C(CF)N(O)C(=N)NN;YPMPQBGVBYSDMZ-UHFFFAOYSA-N;149.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350359;MM350359;CC=Cn1ncc(N)n1;RHMIRSTXERIQTC-UHFFFAOYSA-N;124.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350360;MM350360;C=C(CC)N(C)C(=N)OC;BDSUOWXNVJQRDW-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350361;MM350361;C=CCCC(=C)C(O)CN;GBSLQRNTTPRLLK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350362;MM350362;C=C(CO)N(C)C(=O)OC;RAMZSGKAPORGEE-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350363;MM350363;C=CCCC(=O)C(C)CF;IHELTLAUMOYYHN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350364;MM350364;COC(=O)N(C)C(=N)CF;OWXFXKOKYBYPQT-UHFFFAOYSA-N;148.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350365;MM350365;C=CCCC(=O)C(O)CC;LVPPGDOSQHYRKU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350366;MM350366;C=C(OC)N(C)C(=O)CC;BZSHILIVTWXGRI-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350367;MM350367;N#CCCC(=O)C(O)CO;YLFJJYITGJMRQI-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350368;MM350368;C=C(OC)N(C)C(=O)CO;FAIYOZMNHUBNFO-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350369;MM350369;C=CCCC(=O)C(F)CC;HGQIJCGXUXKDAM-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350370;MM350370;C=C(OC)N(C)C(=O)CF;GKYGDYHNFMAONG-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350371;MM350371;N#CCCC(=O)C(F)CO;HFKAPKZTFJMYIE-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350372;MM350372;CCC(=O)N(C)C(=O)OC;BYSHSNICSDWDCW-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350373;MM350373;C=CCCC(=C)C(C)NC;FUZQYGGMUCINLD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350374;MM350374;COC(=O)N(C)C(=O)CO;AYPXAICYPXKAJP-UHFFFAOYSA-N;147.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350375;MM350375;C=C(CCC=O)C(C)NC;ZAOVFAKSKTULOI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350376;MM350376;C=C(OC)N(N)C(=N)CC;PGOLMAPGJWUUGL-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350377;MM350377;C=CCCC(=O)C(C)NC;YSDTYTYEMSWRIN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350378;MM350378;C=C(OC)N(N)C(=N)CF;PKQPSSZJYMLXOS-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350379;MM350379;CNC(C)C(=O)CCC=O;MWATXAIWUSSNFI-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350380;MM350380;COC(=N)N(N)C(=N)CF;CCAXFRRTYYKTBV-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350381;MM350381;C=C(CCC=O)C(C)OC;QYNVANVBNJQADS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350382;MM350382;CCC(=N)N(N)C(=O)OC;GEJYPMSQWRTRQG-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350383;MM350383;C=CCCC(=O)C(C)OC;UPELXKXCGPDODK-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350384;MM350384;CC(C=O)C1CN1C;CQWNKYQDZJSVLP-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350385;MM350385;C=C(CNC=O)C(C)CN;XYGRHYUKZQCKBI-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350386;MM350386;C=C(OC)N(N)C(=O)CC;QVNFOIOKZUYVSC-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350387;MM350387;C=C(CNC=N)C(N)CF;YZRJKTMSAXXHEI-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350388;MM350388;CC=NOCC(=O)CC;MFHSWGYCCIVGJO-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350389;MM350389;C=C(CNC=N)C(O)CC;BTRYYHUXIRHIBN-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350390;MM350390;CCC(=O)N(N)C(=O)OC;DLBMQZQODATWIO-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350391;MM350391;C=C(CNC=N)C(F)CO;CVNVHBNOSVQQFV-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350392;MM350392;CC#CC=CC(C)CO;UPKUHWVNEKSEGC-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350393;MM350393;C=C(CNC=O)C(F)CO;SRKJVWVANKDXKK-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350394;MM350394;CN(C=O)N(C)CC=O;BDHDFULGQHZPKJ-UHFFFAOYSA-N;130.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350395;MM350395;C=C(CNC=N)C(F)CF;RGCOTXVLDFTYHD-UHFFFAOYSA-N;148.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350396;MM350396;C=CC(O)C(=C)CCC;BBXZXSJQCXBOAR-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350397;MM350397;CC(CF)C(=O)CN=CN;OGTNGDGOSIBPQO-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350398;MM350398;CNC(=N)N(C)C(=N)NC;DIZQHJMOIAYWBL-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350399;MM350399;NC=NCC(=O)C(O)CO;SZAXFAHNZJQEOV-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350400;MM350400;CNC(=N)N(C)C(=N)NN;HBJUWBUECLVGOX-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350401;MM350401;O=CNCC(=O)C(O)CO;BWCHKTPOXYUMGJ-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350402;MM350402;CNC(=N)N(C)C(=N)NO;YTXPYOWMLZQRRB-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350403;MM350403;NC=NCC(=O)C(F)CO;COPWZYFPGWYUFL-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350404;MM350404;CNC(=N)N(N)C(=N)NN;MTMBWORKXNRDIN-UHFFFAOYSA-N;145.17;-2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350405;MM350405;C=NNCC(=C)C(C)CC;HOJIBORUZPSDRE-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350406;MM350406;CNC(=N)N(N)C(=N)NO;POQFNCKFRFZMQG-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350407;MM350407;C=NNCC(=C)C(C)CF;LDPYIBPJAZPZNE-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350408;MM350408;CNC(=N)N(N)C(=O)NN;OZLYZYDKEICFGE-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350409;MM350409;CC=Cc1ncc(N)o1;GMSBETCQWIRJET-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350410;MM350410;CNC(=N)N(N)C(=O)NO;SDAFNNVIHUMWEW-UHFFFAOYSA-N;147.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350411;MM350411;CNc1c[nH]c(F)c1C;IWBKCZNJFUNWJE-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350412;MM350412;C=NNCC(=C)C(C)NC;YPODPJWLVCIJPZ-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350413;MM350413;N=C(NN)N(N)C(=O)NN;HRJYJMJXMMMUJN-UHFFFAOYSA-N;147.14;-2.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350414;MM350414;C=C(CNC=N)C(C)OC;SVIPNEAYDGLAGE-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350415;MM350415;CNC(=N)N(O)C(=N)NC;UDKXMAOZTXDYRL-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350416;MM350416;COC(C)C(=O)CN=CN;PLALUNHPKMZBJQ-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350417;MM350417;CNC(=N)N(O)C(=N)NN;ITUDTBUHYANZIJ-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350418;MM350418;C=C(COC=O)C(N)CF;XWKPIEOOGLASEZ-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350419;MM350419;CNC(=N)N(C)C(=N)OC;IGYKJQYJKBNQJI-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350420;MM350420;C=COCC(=C)C(O)CO;GDXROGXNYIELKK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350421;MM350421;CNC(=N)N(C)C(=O)OC;SKHAGKALKYILEY-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350422;MM350422;C=C(COC=O)C(O)CO;UDBSWXWBOXTMEZ-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350423;MM350423;CC(=CC#N)C(C)CO;QOMNJTKLAWQOLH-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350424;MM350424;CC(CF)C(=O)COC=O;LIYOEYYYWVQSLS-UHFFFAOYSA-N;148.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350425;MM350425;C=C(OC)N(N)C(=N)NN;RAKJYQBFFCMLPG-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350426;MM350426;C=COCC(=O)C(O)CF;JJDQGJKNABNHDP-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350427;MM350427;C=C(OC)N(N)C(=N)NO;GZFMSIHHEMCSPF-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350428;MM350428;C=COCC(=O)C(F)CO;REXCVYODNSYIMK-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350429;MM350429;CNC(=N)N(N)C(=N)OC;BBRDPOCUCUAIKR-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350430;MM350430;CC(C)C1C(C)C1CO;FZTZXXSKMGFEDX-UHFFFAOYSA-N;128.22;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350431;MM350431;COC(=N)N(N)C(=N)NN;ZUJUFEGOMYTBKW-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350432;MM350432;C=NOCC(=O)C(C)NC;XRYPPKOGIBDSLQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350433;MM350433;CNC(=N)N(N)C(=O)OC;HPUSBGUAACNWME-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350434;MM350434;CCC(C)C(=N)NCC=O;ZFTVFPJGHIZIQQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350435;MM350435;C=CC(O)C(C)=CCC;IJWOZJGDLXLGHC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350436;MM350436;CC(CO)C(=N)NCC=O;AQPSUZUABLICAJ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350437;MM350437;C=C(OC)N(N)C(=O)NO;MBGQSMIILVNNSX-UHFFFAOYSA-N;147.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350438;MM350438;C=CCNC(=N)C(N)CO;KQJDKIBAMJPCFN-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350439;MM350439;C=C(CC)C1CC(O)C1;YMVVTFDBRPVICM-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350440;MM350440;C=CCNC(=N)C(O)CC;QEIPYMGNUPUTJG-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350441;MM350441;COC(=N)N(N)C(=O)NN;UTHYMBJVVFCWDO-UHFFFAOYSA-N;147.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350442;MM350442;CCC(O)C(=N)NCC#N;MTGVIWWFMJTXOI-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350443;MM350443;COC(=N)N(N)C(=O)NO;LENANEHJUNQBDN-UHFFFAOYSA-N;148.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350444;MM350444;C=CCNC(=N)C(O)CN;UIDPUQMUNYLREZ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350445;MM350445;COC(=O)N(N)C(=O)NN;BXHCPQQLDPTZEG-UHFFFAOYSA-N;148.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350446;MM350446;NC(=NCC=O)C(O)CO;FUPJMVVIRPSRAK-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350447;MM350447;COC(=O)N(N)C(=O)NO;YKRYLTTYCJRNFA-UHFFFAOYSA-N;149.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350448;MM350448;N#CCNC(=N)C(O)CO;YJDRAOXODWDPQX-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350449;MM350449;C=C(OC)N(O)C(=N)NN;RQCUOSWVPZRRNI-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350450;MM350450;C=CCNC(=N)C(O)CF;MEBGLKHUSQIRHK-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350451;MM350451;CNC(=N)N(O)C(=N)OC;IMWJQIYVMRGVCN-UHFFFAOYSA-N;146.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350452;MM350452;CCC(F)C(=N)NCC#N;HCNDSXOSTSQTFX-UHFFFAOYSA-N;143.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350453;MM350453;C=C(OC)N(O)C(=O)NN;RPLXYEZKJJJJAK-UHFFFAOYSA-N;147.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350454;MM350454;C#CC1C(O)C1C(=C)C;KCRNLUXFZILCGE-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350455;MM350455;COC(=N)N(C)C(=O)OC;INVYDRUKTSCOIN-UHFFFAOYSA-N;146.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350456;MM350456;CC=CC(C)C1CC1O;IJJSBLXUNOWSLX-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350457;MM350457;C=C(OC)N(N)C(=O)OC;LUCPIGVBFYLIAY-UHFFFAOYSA-N;146.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350458;MM350458;C#CC1=CC(CO)CC1;VKIVUEZKHLXOOP-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350459;MM350459;COC(=N)N(N)C(=N)OC;FRLZNTOOJBEPDP-UHFFFAOYSA-N;146.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350460;MM350460;CC(CO)C(=O)NCC=O;HSXSAEWNLKKRNW-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350461;MM350461;COC(=N)N(N)C(=O)OC;KSXXDZNUZHZIOB-UHFFFAOYSA-N;147.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350462;MM350462;C=CCNC(=O)C(O)CN;BZPAQDCAKXKECC-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350463;MM350463;C=C(C=O)C(C)C(=C)CC;XBBPLXSXIIFLBS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350464;MM350464;O=CCNC(=O)C(O)CO;RZFPMYSFRTUGRT-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350465;MM350465;N#CCNC(=O)C(O)CO;QQINHKITQKTQGP-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350466;MM350466;C=CC(=C)C(C)C(=C)CN;FFGOVCMBTALIHG-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350467;MM350467;O=CCNC(=O)C(F)CO;PVHVOICHANCONZ-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350468;MM350468;CC=C(C)C1CC(O)C1;FXCGEKIPGOXGDL-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350469;MM350469;N#CCNC(=O)C(F)CO;RYZVUNPYDZNHMP-UHFFFAOYSA-N;146.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350470;MM350470;C=C(C)C1=CC(O)CC1;HHBUOPDVFPMYSV-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350471;MM350471;CNC(C)C(=N)NCC=O;YXFBNASTUZMZSI-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350472;MM350472;C=C(C#N)C(C)C(=C)CO;DEXVXLKGUFQCKU-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350473;MM350473;CNC(C)C(=N)NCC#N;YBHWGGVVOMLYLD-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350474;MM350474;C=C(C=O)C(C)C(=C)CF;QENVSFMZZKYPFY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350475;MM350475;CNC(C)C(=O)NCC=O;VIRNOTOKFTYBKO-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350476;MM350476;C=CC(=O)C(C)C(=C)CC;RSBGRFNRYRDBPE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350477;MM350477;COC(C)C(=N)NCC=O;FFCATKXYDJSGMV-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350478;MM350478;C=C(CC)C(C)C(=O)C#N;JSEFNXQANUIRKG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350479;MM350479;C=CC(=O)C(C)C(=C)CF;HLPUVXYHTVWTCV-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350480;MM350480;COC(C)C(=N)NCC#N;XILTWCHRAMIAOG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350481;MM350481;C=C(CF)C(C)C(=O)C=O;PUVOVBZIGHGCRH-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350482;MM350482;COC(C)C(=O)NCC#N;QERGHUJLISFUHK-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350483;MM350483;C=CC(=C)C(C)C(=O)CC;VUQQVFMRCKFZEP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350484;MM350484;CCC(C)C(=N)NNC=N;NNFWUUFDCHHMNE-UHFFFAOYSA-N;142.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350485;MM350485;C=C(C#N)C(C)C(=O)CC;NGJHPEZSXZLHLW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350486;MM350486;CCC(C)C(=N)NNC=O;SUXHOCXPRGRBDX-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350487;MM350487;C=C(C#N)C(C)C(=O)CF;XOBCLEHAQQAGIA-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350488;MM350488;CC(CO)C(=N)NNC=N;PQNZRRJFSTXEDT-UHFFFAOYSA-N;144.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350489;MM350489;C=Nn1[nH]c(=O)n(C)c1=O;AHYYAFFSARUACU-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350490;MM350490;N=CNNC(=N)C(N)CN;HZWGDBIJLZRTQU-UHFFFAOYSA-N;144.18;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350491;MM350491;C=CC(=O)C(C)C(=O)CO;WDRPBFVKQHMQLG-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350492;MM350492;N=C(NNC=O)C(N)CN;MGSJKAXNXLWXSY-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350493;MM350493;C=CC(=C)C(N)C(=C)CC;UJGMUBUJQOMXJR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350494;MM350494;N=CNNC(=N)C(N)CO;LALJVIPCOHQEKP-UHFFFAOYSA-N;145.17;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350495;MM350495;C=CC(=C)C(N)C(=C)CO;PGGIJQDUGXLORH-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350496;MM350496;N=CNNC(=N)C(N)CF;JCKFDWMCVSEKLA-UHFFFAOYSA-N;147.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350497;MM350497;C=CC(=C)C(O)C(=C)CF;RCMMBBWKSMYXMF-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350498;MM350498;CCC(O)C(=N)NNC=N;DSIGKTZEIZGEHN-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350499;MM350499;C=C(CO)C(O)C(=O)C#N;LRTXUNIHFQWRLP-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350500;MM350500;N=CNNC(=N)C(O)CN;HDEYOUKACILWPV-UHFFFAOYSA-N;145.17;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350501;MM350501;C=C(CF)C(O)C(=O)C=O;PILVZJSXMYUPMY-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350502;MM350502;N=CNNC(=N)C(O)CO;RQVKVPCWBIBGLQ-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350503;MM350503;C=C(C=O)C(O)C(=O)CC;NRGNQSCBZXMOMT-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350504;MM350504;N=CNNC(=N)C(O)CF;ZMWUPAYMXRQALS-UHFFFAOYSA-N;148.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350505;MM350505;C=C(C=O)C(O)C(=O)CO;ONTLPWXMHXBAAW-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350506;MM350506;N=CNNC(=N)C(F)CN;FWOYRYVJHFXPKC-UHFFFAOYSA-N;147.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350507;MM350507;C=C(C#N)C(O)C(=O)CO;BDBQHRVGQITQFW-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350508;MM350508;N=CNNC(=N)C(F)CO;BPADWGNJLIODFF-UHFFFAOYSA-N;148.14;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350509;MM350509;C=CC(=O)C(O)C(=O)CO;YYIUDRPQUINQCW-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350510;MM350510;CNn1cc(O)nn1;XOIIDKXOVUEKEU-UHFFFAOYSA-N;114.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350511;MM350511;CCC(C)C(=O)NN=CN;SIODEQWMTDPODM-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350512;MM350512;C=CC(=O)C(F)C(=C)CC;UOIOHUOTIFVUTI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350513;MM350513;CCC(C)C(=O)NNC=O;HBOVAXNPOFOLMV-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350514;MM350514;NN=c1[nH]ncc(=O)o1;UZWKQDDKEQRFRX-UHFFFAOYSA-N;128.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350515;MM350515;CC(CN)C(=O)NN=CN;LCBCXNYGEQTYTP-UHFFFAOYSA-N;144.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350516;MM350516;C=C(C=O)C(C)C(=N)NO;SOZSJJVRERPCPV-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350517;MM350517;CC(CO)C(=O)NNC=O;SAYXYVMJWUELAI-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350518;MM350518;CN=C(N)C(C)C(=O)C=O;IJTPNYZOXXTOGI-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350519;MM350519;CC(CF)C(=O)NN=CN;ORWBOTXIKYNSOW-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350520;MM350520;C=CC(=O)C(C)C(=N)NO;NNVZVCOGJBKLGR-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350521;MM350521;CCC(O)C(=O)NN=CN;OXHBWRYNNJOPHU-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350522;MM350522;CNc1cc(CF)on1;WSMTXABIPYONEU-UHFFFAOYSA-N;130.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350523;MM350523;O=CNNC(=O)C(O)CO;UVVGSRRBNJOIKT-UHFFFAOYSA-N;148.12;-2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350524;MM350524;C#CC(C=O)CN1CC1;SUWDGFAFAWBTAR-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350525;MM350525;NC=NNC(=O)C(O)CF;QHYHJQQNXXQMMJ-UHFFFAOYSA-N;149.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350526;MM350526;C=CC(=C)C(C)C(=O)NO;GYTWEFBZOGEAQD-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350527;MM350527;CCC(F)C(=O)NN=CN;KSNLHSYBQGPZDD-UHFFFAOYSA-N;147.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350528;MM350528;C=C(C#N)C(O)C(=N)NC;CUUQLISRYTXCEK-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350529;MM350529;CC1(C2CC2)CC1CO;VFUWJQFKFIZNCN-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350530;MM350530;C=CC(=O)C(O)C(N)=NC;LKRYKCOLHCMVGN-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350531;MM350531;CC1C(CO)C1C1CC1;KVEDQSHUIJHKDR-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350532;MM350532;CN=C(N)C(O)C(=O)C#N;KDQGAQMKJYOVNT-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350533;MM350533;O=CONC(=O)C(O)CO;GBWQIMVNPVFWJZ-UHFFFAOYSA-N;149.1;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350534;MM350534;C=C(C=O)C(O)C(=O)NC;AIGNFPKSQQRUGP-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350535;MM350535;O=CONC(=O)C(F)CO;GZFXVPPJXQFZDO-UHFFFAOYSA-N;151.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350536;MM350536;C=C(C#N)C(O)C(=O)NC;UIPIQRAWOYGSIU-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350537;MM350537;COC(C)C(=O)NOC=O;GQXBURMHMTZRLV-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350538;MM350538;C=C(C=O)C(O)C(=O)NO;LXJBVEOZVHWNBB-UHFFFAOYSA-N;145.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350539;MM350539;C=C(OCC#N)C(C)CO;GZPGGKKFOYZTDZ-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350540;MM350540;C=CC(=O)C(O)C(=O)NC;BKLATOFGUIPOOA-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350541;MM350541;C=CCOC(=C)C(N)CC;OZTDFFWAINMGSB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350542;MM350542;CNC(=O)C(O)C(=O)C=O;AUSDLXWJIJVTCL-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350543;MM350543;C=C(OCC#N)C(O)CC;RWUASGZREHLOQX-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350544;MM350544;C=CCOC(=C)C(O)CO;QRSMAYUMUMJKKX-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350545;MM350545;C=CC(=O)C(O)C(=O)NO;SPBLGAZWYNBQMT-UHFFFAOYSA-N;145.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350546;MM350546;C=C(OCC=O)C(O)CO;SFZDUJVUOWFMBF-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350547;MM350547;CCN1CC1C(C)C=O;SZLIGXXRVMLTHA-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350548;MM350548;C=C(OCC#N)C(O)CO;PPFIDZBVHVVQEB-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350549;MM350549;C=CC(=O)C(C)C(=C)OC;XNSDULMZPATFED-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350550;MM350550;C=C(OCC=O)C(O)CF;XQUSHUVIDZDTKI-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350551;MM350551;C=C(OC)C(C)C(=O)C#N;OPOIWSSCKZUIGD-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350552;MM350552;C=CCOC(=C)C(F)CC;IRWOMPJCPGCBBF-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350553;MM350553;C=CC(=C)C(C)C(=O)OC;ZSWLOGANYNGQEY-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350554;MM350554;C=C(OCC=O)C(F)CO;RJHXUYWKXPJNEY-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350555;MM350555;C=C(C=O)C(C)C(=O)OC;YZIGQZTWZPQRJN-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350556;MM350556;C=CCOC(=O)C(C)CO;UNLMBDIBERZBCV-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350557;MM350557;C=C(C#N)C(C)C(=O)OC;MVMPMVWCKXSITC-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350558;MM350558;CC(CO)C(=O)OCC=O;HGSNHHKJJGSVNJ-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350559;MM350559;C=CC(=C)C(O)C(=C)OC;DBRPIDBXQFBGGE-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350560;MM350560;CC(CO)C(=O)OCC#N;YWJROARYVOZFAA-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350561;MM350561;C=C(OC)C(O)C(=O)C#N;OWPGQDYQCQXDMX-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350562;MM350562;C=CCOC(=O)C(O)CC;DSOHDBZCBFQXSX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350563;MM350563;C=C(C=O)C(O)C(=O)OC;KNJNCFVTUBMBFR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350564;MM350564;C=C(OCC#N)C(C)OC;NUCSOKWVUVWVQR-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350565;MM350565;C=CC(=O)C(O)C(=O)OC;OZAPTVGQAULQTD-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350566;MM350566;CCC(C)C(=O)ONC=O;ZLAAVKVISZDMRL-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350567;MM350567;C=C(OC)C(F)C(=O)C=O;YNBKLXRUWCDUBB-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350568;MM350568;CC(CN)C(=O)ON=CN;STCFGMXWDDTDPD-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350569;MM350569;C=CC(=N)N(C)C(=C)CC;GKUWWVVWSGVMNA-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350570;MM350570;CC(CO)C(=O)ONC=O;NNEGFKZSELWLEO-UHFFFAOYSA-N;147.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350571;MM350571;C=C(CC)N(C)C(=N)C=O;ZJJZKCCPAATNKY-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350572;MM350572;CC1(C#N)CC(C)(CO)C1;JCKVIARLIDYGSS-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350573;MM350573;C=C(CC)N(C)C(=N)C#N;CIZRLCFWKAWREY-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350574;MM350574;C=NOCC(C)(C)CC=O;QPHYRJTVWBJYAD-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350575;MM350575;N#CC(F)C(=N)N1CC1;IUVBJSHEPYRGBG-UHFFFAOYSA-N;127.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350576;MM350576;C#CC(=C)C=C(C)C(C)O;YKSCODTXRRTBGS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350577;MM350577;C=CC(=O)N(C)C(=C)CC;NVMRJGVOKGDJIY-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350578;MM350578;CC(=O)CNC(C)CC#N;DLTXRSXBVWHIJZ-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350579;MM350579;C=C(CC)N(C)C(=O)C=O;MEJXFWJEBCTYQB-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350580;MM350580;CC(=O)COC(=O)C(=N)N;FQSUOFVKYVPRPB-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350581;MM350581;C=C(CO)N(C)C(=O)C=O;LRHAWJDCHPSMDT-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350582;MM350582;C=CC(O)CC=CC(C)C;BMAIOVKSJVOTMN-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350583;MM350583;C=CC(=O)N(C)C(=C)CF;QAJORZNFXJDRTG-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350584;MM350584;CCN(O)C(=N)CCC=O;NLSDOKRPDJNBTN-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350585;MM350585;C=C(C#N)N(C)C(=N)CC;NMPYKGDZWKKONM-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350586;MM350586;CCN(C)C(=O)CCC#N;FAGRRFUIPSXOCC-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350587;MM350587;C=CC(=N)N(C)C(=N)CN;CKNHLVUSLNIBEM-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350588;MM350588;C=CCCC(=O)N(N)CC;PDQYPZKDZXKNPH-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350589;MM350589;C=CC(=N)N(C)C(=N)CO;BMALRCSXOMVMAJ-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350590;MM350590;CCN(O)C(=O)CCC=O;MFLZISWZRQWIHQ-UHFFFAOYSA-N;145.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350591;MM350591;CN(C(=N)C=O)C(=N)CF;JACSRCHDRQWOSL-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350592;MM350592;CCN(C)C(=N)CNC=N;AKZXLXJAQWKHQD-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350593;MM350593;C=CC(=C)C(C)=CC(C)O;BAUOOUDWJKGNFW-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350594;MM350594;CCN(C)C(=N)CNC=O;DTQCTTODJQZFGL-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350595;MM350595;CN(C(=N)CO)C(=O)C=O;WKASAJHYUSCURG-UHFFFAOYSA-N;144.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350596;MM350596;CCN(N)C(=O)CN=CN;RNDCVORMARDBNZ-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350597;MM350597;C=CC(=O)N(C)C(=N)CF;GIBIDTQDSUSUSQ-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350598;MM350598;C=NNCC(=N)N(N)CC;UJYXKHUETLHTCF-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350599;MM350599;CN(C(=N)CF)C(=O)C=O;RHTITNCGWZTJGJ-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350600;MM350600;CON(C)C(=O)COC=O;UMTRRNCONSMQPM-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350601;MM350601;C=C(C#N)N(C)C(=O)CC;DSNYCOKQXLBJQH-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350602;MM350602;C=NOCC(=N)N(C)OC;USFGEQOTFHVIGY-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350603;MM350603;C=C(C=O)C(C)=CC(C)O;NWFJPJZGLQMXAX-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350604;MM350604;C=CCNC(=N)N(O)CC;PXNSEMXGOFECPZ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350605;MM350605;CN(C(=N)C#N)C(=O)CO;YHJMRQHFSQCUIK-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350606;MM350606;CCN(O)C(=N)NCC=O;AZHGOPWNVOHDJD-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350607;MM350607;C=CC(=CC(C)O)CC=O;PVENNOXGQMFXSQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350608;MM350608;CNN(C)C(=N)NCC#N;RNRDPVGCIAJHDL-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350609;MM350609;CN(C(=N)C=O)C(=O)CF;QXBDUSCYQGODRS-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350610;MM350610;C=CC(O)CC=CC(C)F;PKIYXUBHTPLRFP-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350611;MM350611;C=CC(=O)N(C)C(=O)CC;SARXUFKDQQOZKN-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350612;MM350612;CCN(C)C(=O)NNC=O;JKCYDJRMKZDFFY-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350613;MM350613;CCC(=O)N(C)C(=O)C=O;FBIKOIVIVUVKNI-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350614;MM350614;CCN(N)C(=O)NNC=N;MNOWSYRWKRJIOZ-UHFFFAOYSA-N;145.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350615;MM350615;CN(C(=O)C=O)C(=O)CF;VLOIBRVBIAVRJG-UHFFFAOYSA-N;147.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350616;MM350616;CNN(C)C(=O)NNC=N;NCGRWEJEMXZGFY-UHFFFAOYSA-N;145.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350617;MM350617;C=CC(=N)N(N)C(=C)CO;HRNBJLUMZBBCIY-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350618;MM350618;CNN(C)C(=O)NNC=O;OCBWMYFQYDNUCJ-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350619;MM350619;N=C(C=CF)NN=CC=O;QPRIIYNQMRHZRD-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350620;MM350620;CON(C)C(=N)NNC=N;OTBXTWFLNPNTSZ-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350621;MM350621;C#CC(C#N)N(C)C(C)C;YCXVRXKOTSVVTP-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350622;MM350622;CON(C)C(=O)NNC=N;RFMNQHOKGFIUDE-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350623;MM350623;C=C(C)C(O)C=CCCC;MXNTWWWRLPIYTN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350624;MM350624;CON(C)C(=O)NNC=O;FKBHVMVQWSWZPO-UHFFFAOYSA-N;147.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350625;MM350625;C#CCC(CC#N)=NOC;IFJAUWFWOZHJRI-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350626;MM350626;CCN(C)C(=N)NOC=O;NYFYKXVZWTUVEV-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350627;MM350627;C#CC(C)=CCC(O)C=C;JNQWLEBETWUALH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350628;MM350628;C=NNC(C#N)=CC(C)=O;DTLMMZXSANISJU-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350629;MM350629;C=CC(=O)N(O)C(=C)CO;YAIBRCJPJMYWMH-UHFFFAOYSA-N;143.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350630;MM350630;CCN(C)C(=N)OCC=O;UMSWOGGPRPXGSD-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350631;MM350631;C=CC(=O)N(O)C(=C)CF;RKMATAYZMZWXEY-UHFFFAOYSA-N;145.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350632;MM350632;CCN(C)C(=N)OCC#N;IBXJJRKDDSCAFA-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350633;MM350633;CC=NN=C(C)NN=CC;ZGXVCWFZEQXXNR-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350634;MM350634;CN(OCC=O)C(=N)CF;ZNLCRJRYVKWWMR-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350635;MM350635;C=CC1(O)C=C(C)C(C)=C1;LOHMSEGSUQWBHP-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350636;MM350636;C=CC(O)C(=C)CCCC;FGPLGHGEVBOVRH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350637;MM350637;C#CCCC(=C)C(C)CC;YFKWQQRGLIFAKI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350638;MM350638;C=CC(=C)N(C)C(=N)NC;JOJKCINOZMYDCI-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350639;MM350639;C#CCCC(=C)C(N)CC;DIPZNAXNQYGFED-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350640;MM350640;C=CC(=N)N(C)C(=N)NC;JYZCKFFNGWRUTE-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350641;MM350641;C#CCCC(=C)C(N)CO;XOBWUOZUZLBYGZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350642;MM350642;CNC(=N)N(C)C(=N)C=O;HEYKXSAEVSCTEK-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350643;MM350643;C#CCCC(=C)C(N)CF;DOPXZUXEBNQRJT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350644;MM350644;C=CC(=N)N(C)C(=N)NO;QKJXNMMDMIBNNS-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350645;MM350645;CC=CC#CCCC(C)O;PCWNAADHNOADPD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350646;MM350646;C=CC(=O)N(C)C(=N)NC;ORUPOUAPJWBBPM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350647;MM350647;C#CCCC(=O)C(O)CC;XAUWNFWGGGTZSM-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350648;MM350648;C=CC(=O)N(C)C(=N)NN;HLDVUQJPCJZWER-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350649;MM350649;C#CCCC(=C)C(C)NC;SNFUVDBWJRCBNN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350650;MM350650;C=CC(O)C(C)=CCCC;DZVQELDCTRAQGJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350651;MM350651;C#CCCC(=O)C(C)OC;XVHYCXUTDFGSBI-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350652;MM350652;C=CC(=C)N(C)C(=O)NC;IOTGOXPUZFGCNE-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350653;MM350653;C#CCNC(=N)C(C)CN;QMNZLRAPJSPKOJ-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350654;MM350654;CCC=NOCC(=O)CC;JMDCNVJPHDXEOU-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350655;MM350655;C#CCNC(=N)C(C)CO;WCBJONVYNMNDKP-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350656;MM350656;C=CC(=C)N(C)C(=O)NO;VDJGTRAVDLYWBG-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350657;MM350657;C#CCNC(=N)C(N)CC;ACRFGXOMXLGPKM-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350658;MM350658;C=C(C=O)N(C)C(=O)NO;KTAHTFYZETXJRJ-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350659;MM350659;C#CCNC(=N)C(N)CN;QMGWWNPYDITNEW-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350660;MM350660;C=CC(O)CCC#CCF;DSBJZJNJCDQSRI-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350661;MM350661;C#CCNC(=N)C(N)CO;VUVXQGLOUZXSOE-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350662;MM350662;CNC(=O)N(C)C(=N)C=O;XZQKALXQVGWWSJ-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350663;MM350663;C#CCNC(=N)C(O)CN;RKMUQIRBHLDBAF-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350664;MM350664;CC(CO)CC#CCC=O;QLNRZVCJMLXJML-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350665;MM350665;C#CCNC(=N)C(O)CO;TXCGQKGBANLZRP-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350666;MM350666;C=CC(=N)N(C)C(=O)NO;SDJKBBGYGLFGIA-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350667;MM350667;CC(O)CC=CC#CC#N;PNTIBRGBMRJPQT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350668;MM350668;C=CC(=O)N(C)C(=O)NC;AWJSYDLEOWNWOF-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350670;MM350670;CCC#CC=CC(C)CO;MZHPYBISMHYJNF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350669;MM350669;C#CCNC(=O)C(C)CC;AYEYOZGZINCRDE-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350671;MM350671;CN(C(=O)C=O)C(=O)NO;IMGRSHPGSJWZSD-UHFFFAOYSA-N;146.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350672;MM350672;C#CCNC(=O)C(C)CN;VBSSNZFNDUAVKM-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350673;MM350673;C=CC(=C)N(N)C(=N)NC;TYQRBWHUVSXWAL-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350674;MM350674;C#CCNC(=O)C(C)CO;DUIZODSTBMUPLN-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350675;MM350675;C=CC(=N)N(N)C(=N)NN;PZQBGLSXWKKACY-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350676;MM350676;C#CCNC(=O)C(N)CC;PGLNCWWAVMTMLK-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350677;MM350677;C=CC(=N)N(N)C(=N)NO;BHONDGIOEONRAK-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350678;MM350678;C#CCNC(=O)C(O)CC;OOSZDBQVCROSJD-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350679;MM350679;C=CC(=O)N(N)C(=N)NN;NKABBHKDQULFHM-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350680;MM350680;C#CCNC(=O)C(O)CN;RBDUFMSQCBLVCM-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350681;MM350681;CC1(C=O)NC1CCC=O;XCVYWIGGJJJQPC-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350682;MM350682;C#CCNC(=O)C(O)CO;IWRVTVPIFKQNPP-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350683;MM350683;CCC(CC=O)NCC#N;JYHZPFRKANSPQX-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350684;MM350684;C#CCNC(=O)C(F)CC;KULKRWUXRQLJGA-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350685;MM350685;C=NNC(C#CCC)C=O;XVASHVBYWGONEJ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350686;MM350686;C#CCNC(=O)C(F)CO;DWJRWGNCPHTCTH-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350687;MM350687;C=CC(=N)N(N)C(=O)NO;COEIOTHZHNTWDP-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350688;MM350688;C#CCOC(=C)C(C)CC;LQKSETCYBQVXFI-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350689;MM350689;C#CC#CC1=CCC(O)C1;SBFAFKJZKARCPL-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350690;MM350690;C#CCOC(=C)C(C)CO;NPVKXVVBQBOGRH-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350691;MM350691;C=CC(=O)N(N)C(=O)NN;FWWDPOGFFLMGIS-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350692;MM350692;C#CCOC(=C)C(O)CC;BEUDLFYAYJIBFH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350693;MM350693;C=CC(=O)N(N)C(=O)NO;XAKIMWLDHFLKQT-UHFFFAOYSA-N;145.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350694;MM350694;C#CCOC(=C)C(F)CO;MWZPCEBVKSMOED-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350695;MM350695;C=CC(=C)N(O)C(=N)NC;BMJVJHDIZHKISU-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350696;MM350696;C#CCOC(=O)C(N)CN;KBYJQEAENZTGIN-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350697;MM350697;C=CC(=N)N(O)C(=N)NC;ZGUKHTSBMVPALZ-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350698;MM350698;C#CCOC(=O)C(O)CC;NAYHVCZTXKCKPL-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350699;MM350699;C=CC(=N)N(O)C(=O)NC;ZGAHUEMAUJTXKI-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350700;MM350700;C#CCOC(=O)C(O)CO;FERFWRFXPCIDJF-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350701;MM350701;C=CC(=N)N(O)C(=O)NN;BHGUTEWAZGWYFR-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350702;MM350702;C#CCOC(=O)C(O)CF;PJHHRKALVZDAPT-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350703;MM350703;C=CC(=N)N(C)C(=C)OC;JEKPOJSJUUYREP-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350704;MM350704;C#CCOC(=O)C(F)CF;FZTHMMVUSMYHOY-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350705;MM350705;C=CC(=O)N(C)C(=C)OC;CJFXRFXZIRJFOQ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350706;MM350706;C#CCOC(=C)C(C)OC;BUIAXMUWZKQELS-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350707;MM350707;C=C(C#N)N(C)C(=N)OC;HNDXOZHUKBSAAE-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350708;MM350708;C#CCOC(=O)C(C)OC;GMGLHNLJBAZXDT-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350709;MM350709;C=CC(=O)N(N)C(=C)OC;PUMLYCJWZMOGIT-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350710;MM350710;C#CCCC(=N)N(N)CC;FOHOGOARFREYGR-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350711;MM350711;C=CC(=O)N(N)C(=O)OC;IFQXWZKTQGSKKM-UHFFFAOYSA-N;144.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350712;MM350712;C#CCCC(=N)N(O)CC;GXLFSZGBYBBSMG-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350713;MM350713;C#CC#Cc1ncc(N)o1;NLEOSTQQQQWRIQ-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350714;MM350714;C#CCCC(=O)N(N)CC;NZMZARRYTNENRU-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350715;MM350715;C#CC(C#N)N(CC)CC;HPLNSDRSOUEAGR-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350716;MM350716;C#CCCC(=N)N(C)NC;HFTPFDLLKXGMFY-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350717;MM350717;C#CC(=NC)NN=CC=O;XQTSYDZZSUPKMF-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350718;MM350718;C#CCCC(=O)N(C)NC;QBDSVAOETOMCKP-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350719;MM350719;C#CC(C=O)CN1CC1C;VUACFPCLWSJZTH-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350720;MM350720;C#CCNC(=O)N(C)CC;NNPYGYRAYDZUOI-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350721;MM350721;C#CC(=C)C(C)C(=C)CC;XAUHEMICBPQRRE-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350722;MM350722;CC=NOCC(=O)C=CN;NVEQABSYIBVWMG-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350723;MM350723;C#CC(=C)C(C)C(=C)CN;IENDKTBRTXJMHI-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350724;MM350724;C#CCNC(=N)N(C)NC;PKCJQQCNCISNDG-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350725;MM350725;C#CC(=C)C(C)C(=C)CF;DMGLXIWVRODKCU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350726;MM350726;C=C(C)C(=O)CON=CC;WFYPYHGEFZPEMB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350727;MM350727;C#CC(=C)C(C)C(=O)CC;VBPRMNFZVONXOV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350728;MM350728;CCC=NOC(C)C(C)=O;CUYKLLWDFFYLDN-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350729;MM350729;C#CC(=C)C(C)C(=O)CO;WUYQDHBYMFETTE-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350730;MM350730;C#CCOC(=O)N(C)CC;RPKRCHYEUNJCEE-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350731;MM350731;C#CC(=O)C(O)C(=C)CC;AJVIHVMANIOGNJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350732;MM350732;C#CCOC(=O)N(N)CC;DBHCAJUGOPTSSZ-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350733;MM350733;C#CC(=O)C(O)C(=C)CO;KLNFUKDKQKDDIB-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350734;MM350734;C#CCOC(=O)N(C)NC;JGBVVEYSSDNWRS-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350735;MM350735;C#CC(=C)C(O)C(=O)CC;BCQCMGZMFQXABR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350736;MM350736;C=CC(C)C(=C)CCCC;RXNZXFBHNXARMO-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350737;MM350737;C#CC(=C)C(O)C(=O)CO;PLHKTVUVHOKSGD-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350738;MM350738;CC1CC(CC#N)=CC1O;GRDLTADZXUHCLH-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350739;MM350739;C=CC(C)C(=C)CCCF;QENGAQUUBBTKMK-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350740;MM350740;C#CC(=O)C(O)C(=O)CO;CTIBFACUWYMEJD-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350741;MM350741;C=C(CCCC)C(C)C=O;JOXCFLPZEXXGQA-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350742;MM350742;C#CC(=O)C(F)C(=C)CO;WTKUWGMUAAAWDZ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350743;MM350743;C#CC=CC(C)(C#C)CO;MDQLSBPIUOQNAI-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350744;MM350744;CC=C(CC)C1CC(O)C1;CCVXZTVNZRHVFS-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350745;MM350745;C=C(CCCF)C(C)C=O;HHZQPRJXVGRYRG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350746;MM350746;C#CC(=C)C(N)C(=N)NC;RNTRFVDSPDLSMQ-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350747;MM350747;C=CC(N)C(=C)CCCC;QDHHGGSNYRGQRR-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350748;MM350748;C#CC(=O)C(O)C(N)=NC;DHEMZSNSMXJZLF-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350749;MM350749;C=CC(N)C(=C)CCCN;RRLCJGVUJYTSKL-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350750;MM350750;C#CC(=C)C(O)C(=O)NC;BSFGZUCYVZWEAB-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350751;MM350751;C=CC(N)C(=C)CCCO;ZWPAAKNKIXABKZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350752;MM350752;C#CC(=C)C(O)C(=O)NN;AMNWUPMHGSAQQY-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350753;MM350753;C=CC(N)C(=C)CCCF;FBDUQXXMFFGTJN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350754;MM350754;C#CC(=C)C(O)C(=O)NO;OQFFCFXYKFXEJM-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350755;MM350755;C#CC(C)CCC(O)C=C;DRDASPNRAHWNCS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350756;MM350756;C#CC(=C)C(F)C(=O)NO;STRSZECGGZYRDX-UHFFFAOYSA-N;143.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350757;MM350757;C=CC(O)C(=C)CCCN;VVXCWWOGJQHFMG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350758;MM350758;C#CC(=C)C(C)C(=O)OC;JBHJHVYAKMKMOM-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350759;MM350759;C=C(CCCO)C(O)C=O;GMNRBARDZQSGIV-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350760;MM350760;C#CC(=O)C(F)C(=C)OC;KMFMMABTBPBWDL-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350761;MM350761;C#CC(=C)C=CC(O)CC;YQDFTOUBQYQHCG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350762;MM350762;C#CC(=C)N(C)C(=N)CC;GZCBZERPKXWYKL-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350763;MM350763;C=C(CCCF)C(F)C#N;ALWINPSEBZFVIZ-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350764;MM350764;C#CC(=C)N(C)C(=N)CN;WMTZXHJNBMPZEV-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350765;MM350765;C=CC(C)C(=O)CCCF;SBKSIONVSBIBOQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350766;MM350766;C#CC(=O)N(C)C(=N)CF;SQIJRMIUVCYZMR-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350767;MM350767;O=CC(O)C(=O)CCCO;BGSTZYWZOJFKAC-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350768;MM350768;C#CC(=C)N(C)C(=O)CC;FKJJINUCNCSKDT-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350769;MM350769;N#CC(O)C(=O)CCCO;GVUILKOJSBFGIJ-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350770;MM350770;C#CC1CC(C#CC)C1O;UDYAQUMEWJGNMJ-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350771;MM350771;O=CC(O)C(=O)CCCF;UBVPVHFEGHOYQX-UHFFFAOYSA-N;148.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350772;MM350772;C#CC(=O)N(C)C(=O)CC;GXIXPOCKWXGZJZ-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350773;MM350773;C=CC(F)C(=O)CCCF;LXNIWLUUXQHPEZ-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350774;MM350774;C#CC(=O)N(C)C(=O)CO;SHPHDUJWBOKGOD-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350775;MM350775;N#CC(F)C(=O)CCCO;WIDQSICHSFJQDQ-UHFFFAOYSA-N;145.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350776;MM350776;C#CC(=O)N(C)C(=O)CF;RBXCSPODULWJCV-UHFFFAOYSA-N;143.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350777;MM350777;C=CC(C)C(=C)CCNC;BGJYFQAGQIDHNF-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350778;MM350778;C#CC(=N)N(N)C(=C)CC;FMVPEVHLFAEFOS-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350779;MM350779;C=C(CCNC)C(C)C=O;XXXPENRUINZIPS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350780;MM350780;C#CC1C=NN(C=N)C1=C;IVEFFRBQQKBJKV-UHFFFAOYSA-N;133.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350781;MM350781;C=C(CCNC)C(F)C=O;RIFGNXHZFDHWSV-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350782;MM350782;C#CC(=C)N(N)C(=N)CC;DYBVNRWJGJLZSC-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350783;MM350783;CNCCC(=O)C(C)C=O;RNQZRAQJQZRJFW-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350784;MM350784;C#CC(=C)N(N)C(=N)CO;KHXBRDSHYMEHAV-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350785;MM350785;CNCCC(=O)C(F)C#N;ZHTDRQJHRMLSEE-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350786;MM350786;C#CC(=C)N(N)C(=N)CF;HZZMEDVQVAYWEI-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350787;MM350787;C=CC(O)C(=C)CCOC;WTCMREAHDVUGGK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350788;MM350788;C#CC(=N)N(N)C(=N)CF;SDTGWGWHIICTKV-UHFFFAOYSA-N;142.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350789;MM350789;C=CC(C)C(=O)CCOC;MWCZYCOSXRPDQA-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350790;MM350790;C#CC(=C)N(N)C(=O)CC;NGLXDCSPZWKTBT-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350791;MM350791;COCCC(=O)C(O)C#N;AHZQNHNEKURSJD-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350792;MM350792;C#CC(C#N)N(C)C1CC1;PTZNLYIRZAEQLG-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350793;MM350793;C=CC(C)C(=C)CNCC;WKNWGIJKOVMWJJ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350794;MM350794;C#CC(=N)N(N)C(=O)CC;HVICSKXAROWAFV-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350795;MM350795;C=CC(N)C(=C)CNCC;GCPQPWFXAXDQLF-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350796;MM350796;O=CC1=NOC(C=O)CC1;SWFTZMYGHGHVDE-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350797;MM350797;C=C(CNCC)C(O)C=O;PFLPXFVOIWLSJP-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350798;MM350798;C#CC(=O)N(N)C(=O)CC;FVIDCLHPQMRWSY-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350799;MM350799;C=CC(C)C(=C)COCC;KRNSXGHMWVJGHV-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350800;MM350800;CC1=C(C#N)CC2C(O)C12;VAJOMPQIPQWNPT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350801;MM350801;C=C(COCC)C(C)C=O;DPWULGZYTIVVNT-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350802;MM350802;C=CC1CC1CO;BBEUBSMPIQDNHL-UHFFFAOYSA-N;98.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350803;MM350803;C=CC(N)C(=C)COCC;JGVXBQIGLZTXIX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350804;MM350804;C#CC(=O)N(O)C(=C)CO;JELFLWRYIARMKM-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350805;MM350805;C=CC(O)C(=C)COCC;NLMOUUWYDJDIQV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350806;MM350806;C#CC(=C)N(O)C(=N)CC;BCLRSVVFOMOWGO-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350807;MM350807;CCOCC(=O)C(C)C#N;HJYRCAWKSHTCHM-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350808;MM350808;C#CC=CC(C)CO;LYOMURPKGKAETG-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350809;MM350809;CCOCC(=O)C(O)C=O;BEVXGKLIHNHIDX-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350810;MM350810;C#CC(=C)N(C)C(=N)NN;WOINUFCUXYJKJQ-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350811;MM350811;CCOCC(=O)C(O)C#N;JCLAFDOMGDSTAP-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350812;MM350812;C=CC(C)C(=N)NCCN;PDLYGCPCHXXICS-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350813;MM350813;C#CC(=C)N(C)C(=N)NO;YBXUIDNRNYZNQX-UHFFFAOYSA-N;139.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350814;MM350814;CCCNC(=N)C(C)C#N;JENXVORWJBZKTG-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350815;MM350815;C#CC(=C)N(N)C(=N)NC;IPQUKBLOSZYFCZ-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350816;MM350816;CC(C=O)C(=N)NCCO;QCHLENSWNKCIKJ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350817;MM350817;C#CC(=C)N(N)C(=N)NN;YCKIYSPBSZLGEZ-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350818;MM350818;C=CC(N)C(=N)NCCN;OHCUREFUUDJMAH-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350819;MM350819;C#CC(=C)N(N)C(=N)NO;HZTAEFRGTKALIB-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350820;MM350820;C=CC(N)C(=N)NCCO;FKYNKNXZMNKCIF-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350821;MM350821;C#CC(=N)N(N)C(=N)NN;DOIDKTLEVZIPID-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350822;MM350822;C=CC(N)C(=N)NCCF;CSBDXOWGVIHHGI-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350823;MM350823;CC(=O)C1NC1C=O;GAZQCUOXXJZVCG-UHFFFAOYSA-N;113.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350824;MM350824;C=CC(CC)CC(C)CO;ILKBGCFMHOKMMA-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350825;MM350825;C#CC(=C)N(O)C(=N)NN;JJTJYKBSUYWKHE-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350826;MM350826;CCC(C=O)CC(C)CO;ZKUDMFKBXVTGBI-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350827;MM350827;C#CC(=C)N(C)C(=O)OC;QQNUQZVEDQKHMV-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350828;MM350828;CC(C=O)C(=O)NCCO;WTMONYSRJCCHOU-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350829;MM350829;C#CC(=O)N(N)C(=C)OC;GCUWEEWEOJQSGY-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350830;MM350830;CC(C#N)C(=O)NCCO;UGYJAKFPNROMKW-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350831;MM350831;C#CC(=N)N(N)C(=N)OC;CONPQUPUMBXDJD-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350832;MM350832;C=CC(N)C(=O)NCCN;SOIOOSUZLYINOJ-UHFFFAOYSA-N;143.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350833;MM350833;C=CC(=C)C(C)C(=C)C=C;ZVXUYWJPGDGUCS-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350834;MM350834;CCCNC(=O)C(O)C#N;JYODOPMETRIUIA-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350835;MM350835;C=CC(=C)C(C)C(=C)C=O;GSOISWCHQSWWEK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350836;MM350836;O=CC(O)C(=O)NCCO;IJQSXUDFDGNBMC-UHFFFAOYSA-N;147.13;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350837;MM350837;C=CC(=C)C(C)C(=C)C#N;SIHZZRQRIMPRJM-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350838;MM350838;N#CC(O)C(=O)NCCO;UQFBOANSORQDLD-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350839;MM350839;C=C(C=O)C(C)C(=C)C=O;RSAIYGLJVXDUSF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350840;MM350840;C=CC(F)C(=O)NCCC;VCWGSYASTNJLBV-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350841;MM350841;C=C(C#N)C(C)C(=C)C=O;NBBLVENZMDVSAA-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350842;MM350842;CCCNC(=O)C(F)C#N;GHONKGYCLGYIEN-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350843;MM350843;C=C(C#N)C(C)C(=C)C#N;ACDVMQAXZJRWTK-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350844;MM350844;O=CC(F)C(=O)NCCO;QSJVGSCSDCHIHP-UHFFFAOYSA-N;149.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350845;MM350845;C=CC(=C)C(C)C(=O)C=C;RVGNGVIHESZHAF-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350846;MM350846;C=CC(C)C(=N)NNCC;GRXOWFGBHXJURZ-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350847;MM350847;C=CC(=O)C(C)C(=C)C=O;BGCQPKYZAAYKSW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350848;MM350848;C=CC(CO)CC(C)CO;PDYJIGCFZMSAJR-UHFFFAOYSA-N;144.21;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350849;MM350849;C=CC(=O)C(C)C(=C)C#N;GVEMCWKBELIWCQ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350850;MM350850;CCNNC(=O)C(O)C#N;ICMKSUSTYJSGOR-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350851;MM350851;C=C(C=O)C(C)C(=O)C=O;TZZQMJCBUOZIOU-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350852;MM350852;C=Nn1nc(O)n(C)c1=O;AHYYAFFSARUACU-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350853;MM350853;C=C(C#N)C(C)C(=O)C#N;OARKXMLTSXMICW-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350854;MM350854;C=C(OCCF)C(C)C#N;PQGSVNHZXWYRHU-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350855;MM350855;C=CC(=O)C(C)C(=O)C=C;ASAJMRMXRXGKBD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350856;MM350856;C=CC(O)C(=C)OCCC;JYGLSUDZHKVEIX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350857;MM350857;CN=CN(O)C(=N)C(=O)O;VUVVHLCVJCCSIZ-UHFFFAOYSA-N;145.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350858;MM350858;C=CC(O)C(=C)OCCN;ZOYIRVXAYPDWGV-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350859;MM350859;C=C(C#N)C(O)C(=C)C#N;ZFVQYVFVQHCHKA-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350860;MM350860;C=C(OCCO)C(O)C=O;PDRDQKWGQIGFIA-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350861;MM350861;C=CC(=C)C(O)C(=O)C#N;ULQVRBCJHZGFRL-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350862;MM350862;C=C(OCCF)C(O)C=O;WBSBCBIKXFASCX-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350863;MM350863;C=C(C=O)C(O)C(=O)C=O;NZDUAZZWZJWNCF-UHFFFAOYSA-N;142.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350864;MM350864;CC(C=O)C(=O)OCCO;AFCLRGUXUSYHSZ-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350865;MM350865;C=C(C=O)C(F)C(=C)C=O;KTQOFLHBQZQYOJ-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350866;MM350866;N#CC(O)C(=O)OCCO;UMGVGJBTSBGKDO-UHFFFAOYSA-N;145.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350867;MM350867;C=C(C=O)C(F)C(=O)C=O;BQQLNBXWIJCFOI-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350868;MM350868;C=C(OCOC)C(C)C#N;SYQIVCKHECNYBW-UHFFFAOYSA-N;141.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350869;MM350869;C=C(C#N)C(F)C(=O)C=O;HXJUYBNXNSGTRY-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350870;MM350870;COCOC(=O)C(C)C=O;KOXAIDYBZMPOSZ-UHFFFAOYSA-N;146.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350871;MM350871;NNc1cc(O)on1;ZBLCSMPGGHGDDH-UHFFFAOYSA-N;115.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350872;MM350872;COCOC(=O)C(C)C#N;OMQOSQAAJYMXMO-UHFFFAOYSA-N;143.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350873;MM350873;C=CC(=N)N(C)C(=C)C#N;ONRWINLEXZNOIT-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350874;MM350874;COCOC(=O)C(O)C=O;NISASZTUJORSFR-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350875;MM350875;C=CC(=C)N(C)C(=O)C=O;KAPWHHRGNWNXTC-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350876;MM350876;COCOC(=O)C(O)C#N;ZDHBZAIBLKZVJD-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350877;MM350877;C=CC(=C)N(C)C(=O)C#N;VJZQQGZXQBLLLW-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350878;MM350878;C=C(CCCF)N(C)C=N;LQQGVHPVXMNFSW-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350879;MM350879;C=CC(=O)N(C)C(=C)C=O;HTKRGZLFRPWSEE-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350880;MM350880;C=C(CCCF)N(C)C=O;QJZGRCWCTLWLHB-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350881;MM350881;C=CC(=O)N(C)C(=O)C=O;CVJIUHNWFSTMTP-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350882;MM350882;C=C(CCCC)N(N)C=N;LVMUMXZQHPWTGU-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350883;MM350883;CC=CC1CC1CO;ULYCIQVQLSONHF-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350884;MM350884;C=CC(CF)CC(C)CO;ITKUGXFUYHGSRM-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350885;MM350885;C=C(C=O)N(O)C(=N)C=O;FQARJWHWLJNHCO-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350886;MM350886;C=C(CCCC)N(O)C=N;XPUJAWZXPLLRNM-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350887;MM350887;C=C(C#N)N(O)C(=N)C=O;NHDMTYRRLYLYRH-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350888;MM350888;C=CN(C)C(=N)CCCC;HZBWVHCHTNDEBW-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350889;MM350889;C#CC(=C)C(C)C(=C)C=C;POSHSPWHYOPLKG-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350890;MM350890;C=CN(C)C(=N)CCCO;ZPZBXYBYCMIFLW-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350891;MM350891;C#CC(=C)C(C)C(=C)C=O;UBCYCELLEZYACZ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350892;MM350892;CN(C=N)C(=N)CCCN;VWVUXPXHHYPACM-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350893;MM350893;C#CC(=O)C(C)C(=C)C=C;QLGVZDGBAXVVOU-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350894;MM350894;C=CN(N)C(=N)CCCO;BEMHXLHWJOUWLU-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350895;MM350895;C#CC(=C)C(C)C(=O)C=C;LPCMZARHTQXVTP-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350896;MM350896;C=CN(O)C(=N)CCCO;WCRYMMWZXOAZLC-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350897;MM350897;C#CC(=C)C(C)C(=O)C#N;CIOQOHQZIPQVMM-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350898;MM350898;C=CN(C)C(=O)CCCC;QSGRDWWOBKKTPF-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350899;MM350899;C#CC(=C)C(O)C(=C)C#N;QHRXFNOTUGSVSR-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350900;MM350900;C=CN(C)C(=O)CCCO;DAQDGOQGPFIRRU-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350901;MM350901;C#CC(=C)C(O)C(=O)C=C;XGBDBNSKSICPJO-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350902;MM350902;C#CC(C)=CC(C=C)CO;KDXXPNOCTWBGRB-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350903;MM350903;C#CC(=C)C(F)C(=O)C=O;CGWQCNKASKDFLS-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350904;MM350904;C=CN(N)C(=N)CCNC;LVERCBMIRQFIOG-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350905;MM350905;C#CC(=O)N(C)C(=C)C=C;QMJBQZUQQYJBOC-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350906;MM350906;COCCC(=N)N(C)C=O;LHUPQKQNGJWFGC-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350907;MM350907;C#CC(=O)N(C)C(=C)C#N;UYLNRTRYQUYXDD-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350908;MM350908;COCCC(=N)N(N)C=N;JBTJXEYIKHNOTE-UHFFFAOYSA-N;144.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350909;MM350909;C#CC(=C)N(C)C(=N)C#N;UKVZPGYCPLFQOJ-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350910;MM350910;COCCC(=N)N(N)C=O;QPEKLUVPYNMANF-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350911;MM350911;C#CC(=N)N(N)C(=C)C=C;PQKZTVBDNLDRAU-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350912;MM350912;C=CN(O)C(=N)CCOC;SJXXADSUYJZAPS-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350913;MM350913;C#CC(=C)N(N)C(=N)C=C;PFKVDMIADSMCKO-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350914;MM350914;COCCC(=O)N(C)C=O;WHOFVBYZAYONPU-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350915;MM350915;C#CC(=C)N(N)C(=O)C=C;RKDFMLOAUJWFEG-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350916;MM350916;C=CC(C=C)=CC(C)CO;XEKZLEWBZMIDLA-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350917;MM350917;C#CC(=N)N(N)C(=O)C=C;MNYLZDRNCMNNKT-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350918;MM350918;C=CN(O)C(=O)CCOC;MJIXQXJRHGIGKU-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350919;MM350919;C#CC(=O)N(N)C(=O)C=C;HKLFRCXDLXWDQZ-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350920;MM350920;C=C(CNCC)N(N)C=O;YZMBTCOZFROULR-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350921;MM350921;OCC1CC1C=CF;DYQIFGMQLCAPHJ-UHFFFAOYSA-N;116.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350922;MM350922;CCNCC(=N)N(C)C=N;JTMPSXVXTDAHLD-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350923;MM350923;C#CC(=C)N(O)C(=N)C=C;XPIDOQZVDAODBH-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350924;MM350924;CCOCC(=N)N(C)C=N;FTNRCZPXVXXJGR-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350925;MM350925;C#CC(=C)N(O)C(=O)C=C;QVYFTKCTDIXFKK-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350926;MM350926;CCOCC(=N)N(N)C=O;BXFFWGIJTFONOD-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350927;MM350927;C#CC(=C)C(N)C(=C)C#C;HEYZYVHIJTWIQT-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350928;MM350928;C=CN(C)C(=O)COCC;QTVNDEZRGPGBKT-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350929;MM350929;C#CC(=C)C(O)C(=C)C#C;CZMDMEIIPGIUQH-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350930;MM350930;CCOCC(=O)N(C)C=O;MRUUYRNRVWJERG-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350931;MM350931;C=C(C(C)CC)C(C)CN;QWUZYDNTKBXRHA-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350932;MM350932;C=CC(C=O)=CC(C)CO;HEMGVZFVXUUCDB-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350933;MM350933;CC=CC(O)C=C(C)C;PKBWVARBUGUSTC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350934;MM350934;C#CC1CC(C#C)(CO)C1;GWINRVGAXFUBMY-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350935;MM350935;C=C(C(C)CN)C(C)CN;JPHZGHBZMOPVKF-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350936;MM350936;C=NN(C)C(=N)COCC;ODOBEIFODDDYDU-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350937;MM350937;C=C(C(C)CN)C(C)CO;GYKQCEFZEWLPFF-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350938;MM350938;C=CN(C)C(=N)NCCN;XPPHSTDISQMZRO-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350939;MM350939;C=C(C(C)CN)C(C)CF;BCVQHOGTAYDYPR-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350940;MM350940;C=CN(C)C(=N)NCCO;YMXHQIGCIJYLNT-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350941;MM350941;C=C(C(C)CC)C(N)CN;KZLUVQBDLRVXCA-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350942;MM350942;CCCNC(=N)N(C)C=N;LUEZMTKVIAIAPS-UHFFFAOYSA-N;142.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350943;MM350943;C=C(C(C)CN)C(N)CC;WXTQSVSVACMQSK-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350944;MM350944;CN(C=N)C(=N)NCCO;DVPQLMJKAXXNNF-UHFFFAOYSA-N;144.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350945;MM350945;C=C(C(C)CN)C(N)CF;PNJZVKPKDAQYNC-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350946;MM350946;CN(C=O)C(=N)NCCN;XMLIELMAUNLRHV-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350947;MM350947;C=C(C(C)CF)C(N)CC;KXSYTBOFUCJMLI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350948;MM350948;CN(C=O)C(=N)NCCO;NSXDTEGIDSXHNA-UHFFFAOYSA-N;145.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350949;MM350949;C=C(C(C)CC)C(O)CN;QRPDLTQSLDRNAA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350950;MM350950;N=CN(N)C(=N)NCCO;ULRVJIHDWYIJLJ-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350951;MM350951;C=C(C(C)CN)C(O)CF;IJGUWFKUDAAYAQ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350952;MM350952;N=CN(O)C(=N)NCCO;KNLPWDBSFKGGDV-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350953;MM350953;C=C(C(C)CF)C(O)CN;NZNYNKPPOSIOKK-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350954;MM350954;C=CN(C)C(=O)NCCC;KWSMOSRNUSVBMG-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350955;MM350955;C=C(C(C)CN)C(F)CC;BEHOCCZLHRZGNE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350956;MM350956;C=CN(C)C(=O)NCCO;VPCAQNAOEQRHIM-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350957;MM350957;C=C(C(C)CN)C(F)CN;NYWNPVFPRMYXHX-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350958;MM350958;CN(C=N)C(=O)NCCN;PRPKECHOEFTFGU-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350959;MM350959;C=C(C(C)CN)C(F)CF;ZJDJNSUOCGJANY-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350960;MM350960;CN(C=O)C(=O)NCCN;ZEPFUNJXKQXQBL-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350961;MM350961;C=C(C(N)CC)C(N)CC;NDWXADUKWMKDCD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350962;MM350962;C=CC1(CC(=O)C=O)CN1;PBPMYYRUMGGUDR-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350963;MM350963;C=C(C(N)CC)C(N)CF;BNRPOVYRDBHFRZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350964;MM350964;C=C(C#N)C(C)C(C)CO;FCSDFEOYKCYJPX-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350965;MM350965;C=C(C(N)CC)C(O)CN;PHQGSENXUJJESV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350966;MM350966;CCC(C)C1(C)CC1CO;MZHANHCKBVINGE-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350967;MM350967;C=C(C(N)CN)C(O)CC;LYVXPGNQYNCOCF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350968;MM350968;C=CC#CC(C)C(C)CO;LAPAXDMXXKKKNZ-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350969;MM350969;C=C(C(N)CN)C(O)CF;GYAFORLLYAIRDV-UHFFFAOYSA-N;148.18;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350970;MM350970;C=CN(O)C(=O)NCCO;QLQOKBPDJJYSJX-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350971;MM350971;C=C(C(N)CC)C(F)CC;JMLMDZQCSHAPOI-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350972;MM350972;C=CN(O)C(=O)NCCF;QCKSGBKLNRMJTB-UHFFFAOYSA-N;148.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350973;MM350973;C=C(C(N)CN)C(F)CC;FDLLUBHYMLCRSH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350974;MM350974;CCCNC(=O)N(O)C=N;WAHWJBCAHJKQBP-UHFFFAOYSA-N;145.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350975;MM350975;C=C(C(F)CC)C(F)CN;QJFRYOKTESYWPC-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350976;MM350976;N=CN(O)C(=O)NCCO;NUBSBOCDTJONKU-UHFFFAOYSA-N;147.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350977;MM350977;C=C(C(F)CO)C(F)CO;WXCFMAKUZWKPCO-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350978;MM350978;C=NN(C)C(=N)NCCC;TXIWANPGLWEQTQ-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350979;MM350979;CC(CF)C(=O)C(C)CF;ZGZLCIOCTWMUOE-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350980;MM350980;C=NN(C)C(=N)NCCO;HRFOEUAZKPBPRB-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350981;MM350981;CCC(C)C(=O)C(O)CC;RCDADBCCEYHOCT-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350982;MM350982;C=NN(C)C(=O)NCCN;LDKHYMODGDFHSB-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350983;MM350983;CCC(C)C(=O)C(O)CO;YXXHWAKLJBCZIQ-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350984;MM350984;CN(C=O)NCCCC=O;JVWFBJCJIDGGKV-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350985;MM350985;CCC(O)C(=O)C(C)CO;LKBFCDTZRANSBC-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350986;MM350986;C=CC(O)CC=CCCC;QJLGCFFOYAOIGC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350987;MM350987;CCC(O)C(=O)C(O)CO;BBTQRFXHPXOELT-UHFFFAOYSA-N;148.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350988;MM350988;CCNNC(=N)N(C)C=N;WTWMXCJFUKSPSU-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350989;MM350989;O=C(C(O)CO)C(F)CO;GZHIHAXNMJJYHQ-UHFFFAOYSA-N;152.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350990;MM350990;CCNNC(=N)N(N)C=N;NURVNTMUSXUNHK-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350991;MM350991;O=C(C(O)CF)C(F)CF;VGPPVCIPXJIVJD-UHFFFAOYSA-N;156.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350992;MM350992;C=CN(O)C(=N)NNCC;AOYAAGXUZPJQFD-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350993;MM350993;O=C(C(F)CO)C(F)CO;UFZAFXRWQQFUBS-UHFFFAOYSA-N;154.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350994;MM350994;CCNNC(=N)N(O)C=N;UQRRJTRMOBTEJJ-UHFFFAOYSA-N;145.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350995;MM350995;C=C(C(C)CC)C(C)NC;WUSARWWYPDJQGD-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350996;MM350996;C=CC(O)CC=CCOC;HXKRPMKNJCUGKD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350997;MM350997;C=C(C(C)CN)C(C)NC;OUBCPOYTEOLQPH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350998;MM350998;C=CC(O)CC=CCC=O;VBHNANZWJCZQOP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM350999;MM350999;C=C(C(N)CC)C(C)NC;LTRGUSYKNPHEQL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351000;MM351000;C=CC(O)CC=CCC#N;SKJBOAWEKKAECO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351001;MM351001;C=C(C(N)CN)C(C)NC;HLNVJXGQQFFQMY-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351002;MM351002;C#CCC=CCC(O)C=C;GVMJIBDUJLQMQA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351003;MM351003;C=C(C(N)CO)C(C)NC;MTCIZSGFPJKGRY-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351004;MM351004;CC=NN=CCC(C)C=O;WYBVAGRMLMZEOA-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351005;MM351005;C=C(C(F)CC)C(C)NC;CEXOHYIMTYSFAZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351006;MM351006;C=CN(O)C(=O)NNCC;HQGXBFPXCHXFQW-UHFFFAOYSA-N;145.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351007;MM351007;C=C(C(F)CN)C(C)NC;MHDCSHJLSJNQRZ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351008;MM351008;C=CC(CC#N)C(C)CO;IBTATMZVNUTTNI-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351009;MM351009;C=C(C(F)CF)C(C)NC;ZLYCFJFUYQUBLZ-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351010;MM351010;C=CN(C)C(=N)NOCC;XCEZLFNUIMQRKZ-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351011;MM351011;CCC(C)C(=O)C(C)NC;QHDROTUROFRKEA-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351012;MM351012;CCONC(=N)N(C)C=N;ZRNUCRXATDYAJU-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351013;MM351013;C=C(C(C)CC)C(C)OC;DSGMDISSMHEGPQ-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351014;MM351014;C=CN(N)C(=O)NOCC;CSPQWIZBYQDNMZ-UHFFFAOYSA-N;145.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351015;MM351015;C=C(C(O)CN)C(C)OC;JZXOHKPFZJFUPW-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351016;MM351016;C=C(OCCN)N(C)C=N;YHDYXHAZQJDYMQ-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351017;MM351017;COC(C)C(=O)C(C)CO;FZLWGLSAZIQSMI-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351018;MM351018;C=C(OCCC)N(C)C=O;IVXPRHARUGRYNB-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351019;MM351019;C=C(C(C)NC)C(C)NC;SKPHGMBCTVTIGY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351020;MM351020;C=C(OCCO)N(N)C=N;NODQYBAVBGPOLM-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351021;MM351021;CNC(C)C(=O)C(C)NC;AOCRZCJEWCUSKH-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351022;MM351022;N#CC=C1NCC(C=O)N1;MCGSIRAKONGBAU-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351023;MM351023;COC(C)C(=O)C(C)OC;ZPCRVKPBMSTJNS-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351024;MM351024;C=C(OCCN)N(O)C=N;VFXLAARHSWTIPV-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351025;MM351025;CCN(O)C(=N)C(C)CO;VPWDODUIHZNXHY-UHFFFAOYSA-N;146.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351026;MM351026;C=CN(C)C(=N)OCCO;ZFAMRNUKEFUQCV-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351027;MM351027;CCN(C)C(=N)C(N)CN;WCLCXSURBBFINB-UHFFFAOYSA-N;144.22;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351028;MM351028;CN(C=N)C(=N)OCCN;VVNFCGIPOYTRCU-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351029;MM351029;CCN(C)C(=N)C(N)CO;WEATVVGCEZFIBI-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351030;MM351030;CN(C=O)C(=N)OCCN;WZCSCWBYKLRTAY-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351031;MM351031;C=CCc1cc(NC)no1;VOCOJPLCIMTMHW-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351032;MM351032;CCN(C)C(=N)C(N)CF;GHCZGUMJCBGSTD-UHFFFAOYSA-N;147.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351033;MM351033;CN(C=O)C(=N)OCCF;VJXJXBZFRBMGCS-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351034;MM351034;CCC(O)C(=N)N(C)CC;CBWVYCAIMVKHFJ-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351035;MM351035;CCc1noc(OC)c1N;CLNFXESJAROMDG-UHFFFAOYSA-N;142.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351036;MM351036;CCN(C)C(=N)C(O)CN;FJPOFFGPOLGOFO-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351037;MM351037;N=CN(O)C(=N)OCCN;JMNRWIBZPPLZMQ-UHFFFAOYSA-N;146.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351038;MM351038;CCN(C)C(=N)C(O)CO;XMHIEFDZFZUJSX-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351039;MM351039;CN(C=O)C1CC1CC=O;NLTIUOMEVLPOBC-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351040;MM351040;CCN(C)C(=N)C(O)CF;XKOJRRGJIWEUML-UHFFFAOYSA-N;148.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351041;MM351041;CCCOC(=O)N(C)C=N;GZMGXRJWSCYHOT-UHFFFAOYSA-N;144.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351042;MM351042;CCC(O)C(=N)N(N)CC;UFCDAOSFCNQUMO-UHFFFAOYSA-N;145.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351043;MM351043;CN(C=N)C(=O)OCCN;CYTAPVUERIGWOE-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351044;MM351044;CCN(N)C(=N)C(O)CF;SGFDJFPLEWORIU-UHFFFAOYSA-N;149.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351045;MM351045;COc1nc(N)co1;BRTGIWKZBZVGGR-UHFFFAOYSA-N;114.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351046;MM351046;N=C(N)C(=O)COC=O;WGVGRTRFMXXQBB-UHFFFAOYSA-N;130.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351047;MM351047;N=C(C=O)NOCC=O;NYZXOTMHRSYSPS-UHFFFAOYSA-N;130.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351048;MM351048;CCCOC(=O)N(C)C=O;FXHXXABEGGXTMN-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351049;MM351049;CCN(C)C(=O)C(C)CN;NBIOUHWLUWKUIO-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351050;MM351050;CN(C=O)C(=O)OCCO;AGMQWFXFNHFZLD-UHFFFAOYSA-N;147.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351051;MM351051;CC(CC=O)N(C)C=O;NXAVCNVYGNQWBP-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351052;MM351052;C=CC1=CC(C)(O)C=C1;QOGRWTCTKWSPKQ-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351053;MM351053;CCN(C)C(=O)C(F)CO;VKOUJEIOIIHTFV-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351054;MM351054;CNC1(C#N)CC(=O)C1;YKEZEDVLQNDFNY-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351055;MM351055;CCC(C)C(=N)N(C)NC;PSIYCULGTFMZDC-UHFFFAOYSA-N;143.23;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351056;MM351056;C=CN(O)C(=O)OCCO;KSDDESUSBPLXIK-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351057;MM351057;CNN(C)C(=N)C(N)CN;UZRMCVKNJQLONP-UHFFFAOYSA-N;145.21;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351058;MM351058;C=C(OCOC)N(C)C=O;BPTHCXXLRKONJL-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351059;MM351059;CNN(C)C(=N)C(N)CO;GUGUMZXUZZUXQK-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351060;MM351060;C=CN(C)C(=N)OCOC;TUQYNTSZVMSTEK-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351061;MM351061;CCC(O)C(=N)N(C)NC;SAPVWWCIENMSMX-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351062;MM351062;COCOC(=N)N(C)C=O;IQXFOUXSPMVWIK-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351063;MM351063;CNN(C)C(=N)C(O)CN;GNUKEIBCWHNXRZ-UHFFFAOYSA-N;146.19;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351064;MM351064;COCOC(=N)N(N)C=O;PSCLTGQSQSXMOF-UHFFFAOYSA-N;147.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351065;MM351065;CCC(C)C(=O)N(C)NC;FZVMOCWRYHNTJE-UHFFFAOYSA-N;144.22;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351066;MM351066;COCOC(=O)N(C)C=O;APJOKOCVPPMBBX-UHFFFAOYSA-N;147.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351067;MM351067;C=C1C(=O)CNC1C=O;PHGSPRBXJWNUPX-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351068;MM351068;COCOC(=O)N(N)C=N;PCYBHACUXKKEQW-UHFFFAOYSA-N;147.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351069;MM351069;C=Cc1onc(N)c1C;QOCWLSWVJYBJOF-UHFFFAOYSA-N;124.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351070;MM351070;COCOC(=O)N(N)C=O;ZOOXJOPTPDHFDV-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351071;MM351071;C#CC(C=C)C1CC1O;GRDJBUFATNNTIW-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351072;MM351072;C=NN(C)C(=N)OCCN;OLTZVPLQNIXQSY-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351073;MM351073;CCC(C=CC#N)CO;GWKFOHAOPSGAHZ-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351074;MM351074;C#CC=CC(O)CC=C;UMMYQQKFQBQHOW-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351075;MM351075;CCC(N)C(=N)N(C)OC;QOZVKEPUNMBMGC-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351076;MM351076;C=CC(C)C(=C)CCC=O;NGUAYWYZCXATCU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351077;MM351077;CCC(O)C(=O)N(C)OC;XUZTZPVKCILTQZ-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351078;MM351078;CON(C)C(=O)C(O)CO;FCVKYCDVFOMPPB-UHFFFAOYSA-N;149.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351079;MM351079;C=CCCC(=C)C(C)C=O;CUYRJLAUHTVOEA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351080;MM351080;CCN(N)C(=N)C(C)NC;HCTNIRAAXKRHOV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351081;MM351081;C=C(CCC=O)C(C)C=O;KHDBIIXWPHKKMN-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351082;MM351082;CCN(C)C(=O)C(C)NC;KCMNHTPXGDVIIF-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351083;MM351083;C=CCCC(=C)C(N)C=C;ADKXRIRLTLAVLX-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351084;MM351084;CCN(N)C(=O)C(C)NC;FEMLKMMHGNRKHH-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351085;MM351085;C#CC(C=O)C=NN=C;YXHKTROVMGDKHX-UHFFFAOYSA-N;122.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351086;MM351086;CNC(C)C(=N)N(C)OC;CYWBVKZDAIHNQU-UHFFFAOYSA-N;145.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351087;MM351087;C=CCCC(=C)C(O)C=O;ZCYNFTULZXHJNV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351088;MM351088;CNC(C)C(=O)N(C)OC;ICXIJHOXEINDLL-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351089;MM351089;C=CCCC(=C)C(O)C#N;URRPXNWDYCPPQJ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351090;MM351090;CCN(C)C(=N)C(C)OC;DXESPPNQAOPJJV-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351091;MM351091;C=C(CCC=O)C(O)C=O;SVVCVTUGDMZMSS-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351092;MM351092;CCC(=O)C1NC1C=O;LZAOCYVVBVOXLI-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351093;MM351093;C=C(CCC=O)C(O)C#N;FFCXHNBXAAAQRC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351094;MM351094;CCC(=O)N1CC1C=O;XNQRYOPPBRGUDX-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351095;MM351095;C=C(CCC#N)C(O)C#N;JMVJCXKDLZJGML-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351096;MM351096;CCN(C)C(=N)N(C)CC;GMSYLTGQBNTNNE-UHFFFAOYSA-N;143.23;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351097;MM351097;C=C(CCC=O)C(F)C#N;OKVBZCREWMPUKL-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351098;MM351098;CCN(C)C(=N)N(N)CC;RTWKYVZFHQXXQT-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351099;MM351099;C=CCCC(=O)C(C)C=C;LHDNZPVNYIHDNE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351100;MM351100;CCN(C)C(=N)N(O)CC;GBJHRIYHLITMRG-UHFFFAOYSA-N;145.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351101;MM351101;C=CC(C)C(=O)CCC=O;AGRGILSEACWOSI-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351102;MM351102;CCN(N)C(=O)N(N)CC;VOYYEPJXTLNHCN-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351103;MM351103;C=CCCC(=O)C(C)C=O;JTYRUAAWUQIKEL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351104;MM351104;CCN(N)C(=O)N(O)CC;NNFBYXHUJRKJSV-UHFFFAOYSA-N;147.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351105;MM351105;N#CC(O)C(=O)CCC=O;WRTNGMRMIGFCBA-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351106;MM351106;CCN(C)C(=N)N(C)NC;GUGUOLCLGBVVFS-UHFFFAOYSA-N;144.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351107;MM351107;N#CCCC(=O)C(O)C#N;SQPOMUWQINONEF-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351108;MM351108;CCN(O)C(=N)N(C)NC;WQTMXGIGMLJBHD-UHFFFAOYSA-N;146.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351109;MM351109;C=CC(F)C(=O)CCC=O;WPFCRNUTXGVIBZ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351110;MM351110;CCN(O)C(=O)N(C)NC;BNQWDOPUBZIHCU-UHFFFAOYSA-N;147.18;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351111;MM351111;C=CCCC(=O)C(F)C#N;ZWVBDZGZXXGLQI-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351112;MM351112;CCN(C)C(=N)N(C)OC;SLMMMWNVMNZXFM-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351113;MM351113;C=C(CNC=N)C(C)C#N;IBPKBIGTOUITBO-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351114;MM351114;CCN(C)C(=O)N(C)OC;WEWYNVRHOHIKIY-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351115;MM351115;C=C(CNC=O)C(C)C#N;ODLGLZMUDPRAHF-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351116;MM351116;C=CC(C)C(=C)C(C)CC;XSSYESBKLGJIAG-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351117;MM351117;C=C(CNC=O)C(O)C#N;RWPQOWKZAMAKNX-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351118;MM351118;C=C(C(C)C=O)C(C)CC;KLHHWEDFABHXFD-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351119;MM351119;CC(C=O)C(=O)CN=CN;JFOLILNSCAJTIX-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351120;MM351120;C=C(C(C)C#N)C(C)CC;PWZCMSOBYCPNGR-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351121;MM351121;CC(C#N)C(=O)CN=CN;KOAHVRCKTLRDQW-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351122;MM351122;C=CC(N)C(=C)C(C)CC;YYPIXEUVDZRORP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351123;MM351123;CC(C#N)C(=O)CNC=O;MTLAKTFSSOTEKV-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351124;MM351124;C=CC(O)C(=C)C(C)CO;BNSBQKUBWTXDIM-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351125;MM351125;N#CC(O)C(=O)CN=CN;IHAJKUARHFAIIW-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351126;MM351126;C=CC(O)C(=C)C(C)CF;NGJJQWORFUMLHS-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351127;MM351127;N#CC(O)C(=O)CNC=O;JNINGFNVLDQJLW-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351128;MM351128;C=C(C(F)C#N)C(C)CF;JOODFBWLRFSEMF-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351129;MM351129;C=CC(N)C(=C)CNN=C;OQMCEEVXHIETDI-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351130;MM351130;C=CC(C)C(=C)C(N)CF;YJVATRXUDLCTGX-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351131;MM351131;C=COCC(=C)C(O)C=O;BPVUNRFCBGJIHY-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351132;MM351132;C=CC(O)C(=C)C(N)CC;JRMONQOQANVDKY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351133;MM351133;C=COCC(=C)C(F)C=O;BBGOYNDFSNPVNI-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351134;MM351134;C=CC(O)C(=C)C(N)CN;QVEOSUPZHUPZNX-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351135;MM351135;C=COCC(=O)C(C)C=C;ATUSDAIFCBQFOS-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351136;MM351136;C=CC(O)C(=C)C(N)CO;MYAREXPJFGHMGE-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351137;MM351137;C=COCC(=O)C(O)C#N;AEKDEKYCIQESMJ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351138;MM351138;C=CC(=O)N1CC1C=O;DEJXCFMHSZCYHI-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351139;MM351139;N#CC(O)C(=O)COC=O;ASUOUIXYXDWCDB-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351140;MM351140;C=CC(C)C(=C)C(O)CN;XRMDJJBQGCLHJM-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351141;MM351141;C=CC(N)C(=C)CON=C;CTECRZSEHPTWFU-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351142;MM351142;C=C(C(C)C#N)C(O)CO;ZFVHAKHZWOZHCP-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351143;MM351143;C=NOCC(=O)C(O)C#N;PFHFGZHPSXPTFV-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351144;MM351144;C=CC(N)C(=C)C(O)CF;GVNHJUXWOQYQDY-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351145;MM351145;CC(C#N)C(=N)NCC=O;GLISTEBGEYWKAW-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351146;MM351146;C=CC(O)C(=C)C(O)CN;PGOIFYLVMOYWBO-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351147;MM351147;CC(C=O)C(=N)NCC#N;DXRLLOWEJMWOAK-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351148;MM351148;C=CC(O)C(=C)C(O)CO;IFZMHIDERAYSHG-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351149;MM351149;C=CC(O)C(=N)NCC#N;JWKPWVLVQSFFDR-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351150;MM351150;C#CC1(CO)CC1C=C;GDZOTDPKOZMRBJ-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351151;MM351151;C=C(C(F)C=O)C(O)CO;PBVVDALSVFOXPZ-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351152;MM351152;CNc1cc(CF)c[nH]1;RSGHIZZJPPWUGZ-UHFFFAOYSA-N;128.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351153;MM351153;C=CC(C)C(=C)C(F)CN;POMREBKEWHKBQT-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351154;MM351154;C=CCNC(=O)C(C)C=C;PNVKDICOLGKYCU-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351155;MM351155;CCC(C)C(=O)C(O)C#N;ITJOJXRVEZOIIC-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351156;MM351156;CC(C=O)C(=O)NCC=O;MIKLOAVFXVDGCA-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351157;MM351157;CC(CF)C(=O)C(O)C=O;SXCRPNHVLPZXRB-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351158;MM351158;CC(C=O)C(=O)NCC#N;UKFXBPDZZVFTLD-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351159;MM351159;C=CC(C)C(=O)C(O)CC;FRUVLOUVWVQWGC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351160;MM351160;C=CC(O)C(=O)NCC=O;OIQHACSLLIKZBN-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351161;MM351161;CC(C#N)C(=O)C(O)CO;CAMMAYZGAMLDLO-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351162;MM351162;C=CC(O)C(=O)NCC#N;ZOHZXJINXADBER-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351163;MM351163;CC(C=O)C(=O)C(O)CF;BGWOAFAJUHJSMB-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351164;MM351164;O=CCNC(=O)C(O)C=O;YIWHYDNXURSFDF-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351165;MM351165;CCC(O)C(=O)C(O)C#N;PANZOKNREQVLJL-UHFFFAOYSA-N;143.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351166;MM351166;N#CC(O)C(=O)C(O)CF;YHWIMHVXCODWIE-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351167;MM351167;N#CC(O)C(=O)NCC=O;ZXFPXIPJFIKFIS-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351168;MM351168;C=CC(F)C(=O)C(O)CC;HYAIZSHBRRUGHY-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351169;MM351169;N#CCNC(=O)C(O)C=O;SNNVDUNSXVCHDQ-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351170;MM351170;N#CC(F)C(=O)C(O)CO;ZAUCUYAKKOWLHS-UHFFFAOYSA-N;147.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351171;MM351171;C=CCNC(=O)C(F)C=O;DYGFQOKSQNTBCK-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351172;MM351172;C=CC(C)C(=O)C(F)CC;DDTFTKORFYTZFP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351173;MM351173;O=CCNC(=O)C(F)C=O;XSNOITSJKWXRGZ-UHFFFAOYSA-N;147.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351174;MM351174;CC(C=O)C(=O)C(F)CO;BTWJUVDKVHNSFT-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351175;MM351175;N#CCNC(=O)C(F)C#N;KHCZVVYXGRLPCK-UHFFFAOYSA-N;141.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351176;MM351176;C=CC(O)C(=O)C(F)CC;XXGYHMUDYWHNRZ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351177;MM351177;C=CC(N)C(=N)NNC=N;RFNUWRIWBAFVLU-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351178;MM351178;O=CC(O)C(=O)C(F)CO;JWMLPPDNOQKZGF-UHFFFAOYSA-N;150.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351179;MM351179;N#CC(F)C(=N)NNC=N;RJCBNKCMBKSLCU-UHFFFAOYSA-N;143.13;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351180;MM351180;N#CC(O)C(=O)C(F)CF;KUIORIDMVLKHSM-UHFFFAOYSA-N;149.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351181;MM351181;CC(CCC=O)N1CC1;RQPVMRXRMJPJCT-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351182;MM351182;CNN=C(NNC)C(=O)O;RJXIPRNMJCBKCI-UHFFFAOYSA-N;146.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351183;MM351183;O=CC1OC1CN1CC1;SZHXBGFBNHPDJE-UHFFFAOYSA-N;127.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351184;MM351184;C=CC(C)C(=C)C(C)NC;WOGVZSXFVLXJIZ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351185;MM351185;C=CC(C)C(=O)NN=CN;XPOCSCWBZLKHOO-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351186;MM351186;C=C(C(C)C=O)C(C)NC;TVATVKRJIGQMOP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351187;MM351187;CC(C=O)C(=O)NN=CN;REOFRMQTWBZYAK-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351188;MM351188;C=C(C(O)C=O)C(C)NC;UUFPZKJHNQSXTK-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351189;MM351189;CC(C=O)C(=O)NNC=O;YRCZHIJGCJDKRY-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351190;MM351190;C=C(C(F)C#N)C(C)NC;SMLOUORMMMPWRI-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351191;MM351191;CC(C#N)C(=O)NNC=O;NYGZCZWKQBECHN-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351192;MM351192;C=CC(C)C(=O)C(C)NC;FXTDCIWIUJHJEY-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351193;MM351193;O=CNNC(=O)C(O)C=O;QFXWAFFJMZVZPQ-UHFFFAOYSA-N;146.1;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351194;MM351194;C=C(C(C)C#N)C(C)OC;VYCNXPMTBXNPOH-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351195;MM351195;N#CC(O)C(=O)NNC=O;WUEHBCAEXHAIEH-UHFFFAOYSA-N;143.1;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351196;MM351196;C=CC(O)C(=C)C(C)OC;OEYMIQZHFOAHGU-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351197;MM351197;N=CNNC(=O)C(F)C=O;OFKSXBFNMRXCJH-UHFFFAOYSA-N;147.11;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351198;MM351198;COC(C)C(=O)C(O)C#N;HMJRWFFGJXVCIF-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351199;MM351199;O=CNNC(=O)C(F)C=O;SFTGBROXNCWCQS-UHFFFAOYSA-N;148.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351200;MM351200;COC(C)C(=O)C(F)C#N;ZNBQDLCLZQKWDU-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351201;MM351201;CC(C)(C)C1(C)CC1CO;URNNDPAEGIFWDU-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351202;MM351202;C=C(C(C)CC)N(C)C=N;ADMBSJJHGLBGCY-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351203;MM351203;C=CC(C)C(=O)NOC=O;IBOMWXHLUHOTIH-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351204;MM351204;C=C(C(C)CC)N(C)C=O;IQHPUOOKRCBLMB-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351205;MM351205;CC(C=O)C(=O)NOC=O;XOVROFHPDKCPGC-UHFFFAOYSA-N;145.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351206;MM351206;C=C(C(C)CO)N(C)C=N;NCGNLNZKYJAIIS-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351207;MM351207;O=CONC(=O)C(O)C=O;NJZBUZFTMZAQEX-UHFFFAOYSA-N;147.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351208;MM351208;C=C(C(C)CC)N(N)C=N;FHABMBSITHVQLD-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351209;MM351209;O=CONC(=O)C(F)C=O;DLEVYUNKKFDYEK-UHFFFAOYSA-N;149.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351210;MM351210;C=C(C(C)CF)N(N)C=N;SNQMLNHOGDQPEK-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351211;MM351211;C=CC(C)C(=C)OCC#N;VFXXPKZOZJQVLA-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351212;MM351212;C=C(C(C)CO)N(O)C=N;OUOLDBBDIKIACI-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351213;MM351213;C=CCOC(=C)C(C)C=O;YQFJDMKHJZBGTI-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351214;MM351214;C=C(C(N)CC)N(C)C=N;VRRBAEWGSWZZSP-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351215;MM351215;C=CCOC(=C)C(C)C#N;JONSMONYOJSWGX-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351216;MM351216;C=C(C(N)CO)N(C)C=N;AKJLXOGMORVCTN-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351217;MM351217;C=C(OCC=O)C(C)C=O;NHVVCESAEXRWJL-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351218;MM351218;C=C(C(O)CN)N(C)C=N;PYLLSCLYUWFBGD-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351219;MM351219;C=C(OCC=O)C(C)C#N;TXAULVBYMCPYNC-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351220;MM351220;C=C(C(O)CN)N(C)C=O;YTPUNVNPSNFJNA-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351221;MM351221;C=C(OCC#N)C(C)C=O;WAWZAROGRQLBPS-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351222;MM351222;C=C(C(O)CO)N(C)C=N;CYXZJKXFBNHASF-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351223;MM351223;C=CC(O)C(=C)OCC#N;BOZMMTDHWNPFDF-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351224;MM351224;C=C(C(O)CO)N(N)C=N;LYBOGEDWWRCAAU-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351225;MM351225;C=CC(F)C(=C)OCC=O;OXUBSUPUYFETBS-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351226;MM351226;C=C(C(F)CN)N(C)C=N;YVAMWKLJBQCVKF-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351227;MM351227;C=CC(F)C(=C)OCC#N;UKOAFIYKMVNNMF-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351228;MM351228;CCC(C)C(=N)N(C)C=O;ZXDJKQNZCGAGJG-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351229;MM351229;C=C(OCC#N)C(F)C#N;CFCMSCHHECHWPR-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351230;MM351230;CC(CN)C(=N)N(C)C=O;ZYTNXFZTQQYXOK-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351231;MM351231;C=CC(O)C(=O)OCC=O;ADTJACIIDZNAFB-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351232;MM351232;C=CN(C)C(=N)C(C)CO;WSVDIVYYJRDARC-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351233;MM351233;C=CC(O)C(=O)OCC#N;VYGAUBLOXWNVPE-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351234;MM351234;N=CN=CNOCC=O;JHGBJFKXQNHQRM-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351235;MM351235;CC=CC1=CC(C)(O)C=C1;NEDBKKQMIRPMEZ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351236;MM351236;C=CN(N)C(=N)C(C)CC;PZAAXTCXPIDWQF-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351237;MM351237;CC(C#N)C(=O)ONC=O;FZEDBYPSKIKLDY-UHFFFAOYSA-N;142.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351238;MM351238;CC(CO)C(=N)N(N)C=N;OHDAPLZNNFJWTC-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351239;MM351239;CC(F)C=NOC(C)C=O;QDJOAILKFFGGQU-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351240;MM351240;O=CCCC1NC1C=O;UXUIANXUHJTBBL-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351241;MM351241;CCC1(C(C)C)CC(O)C1;GKBOQRLBSYPUPM-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351242;MM351242;C=CN(O)C(=N)C(C)CO;GDNFDQQRZGBNQL-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351243;MM351243;C=C(CCC=O)N(C)C=N;GOURNWGEYIJTFS-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351244;MM351244;CCC(N)C(=N)N(C)C=N;JBSJMTNATZQDON-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351245;MM351245;C=CCCC(=N)N(C)C=C;MLRAUDNATMMSHP-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351246;MM351246;CN(C=N)C(=N)C(N)CN;ZJQBQUVUNNIYBK-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351247;MM351247;C=CN(O)C(=N)CCC=O;QGGVFLFDPAKNNB-UHFFFAOYSA-N;142.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351248;MM351248;CN(C=N)C(=N)C(N)CO;HEJHQDKWVXOVGI-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351249;MM351249;C=CN(O)C(=N)CCC#N;PQDPNVWYEDBRPN-UHFFFAOYSA-N;139.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351250;MM351250;C=CN(C)C(=N)C(O)CC;BODOJEOYMIFEGI-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351251;MM351251;C=CCCC(=O)N(C)C=C;SQOVICQRIYUFDI-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351252;MM351252;O=CCCC1CN1C=O;HCPOOZZIWGTRKI-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351253;MM351253;C=CN(C)C(=O)CCC#N;OVHDSYIMPAUOKK-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351254;MM351254;CN(C=N)C(=N)C(O)CN;RKAUXSGTGCKSHM-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351255;MM351255;CN(C=O)C(=O)CCC#N;ULHJOOINODOIPH-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351256;MM351256;CN(C=O)C(=N)C(O)CN;DGHBMWPKDAOQJJ-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351257;MM351257;C=CN(O)C(=O)CCC#N;CCNBTQTXEZMPLO-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351258;MM351258;CN(C=N)C(=N)C(O)CO;WJFRZKKIQBGIBG-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351259;MM351259;C#CC(CC)=C(C)C(C)O;HYHQRISGQDYNSK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351260;MM351260;CN(C=O)C(=N)C(O)CO;WTWKJZFJCAWDKX-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351261;MM351261;C=C(CNC=N)N(N)C=O;IVTCYJGYIJYWHV-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351262;MM351262;CN(C=N)C(=N)C(O)CF;BQKMMYLYJJSCPK-UHFFFAOYSA-N;147.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351263;MM351263;CN(C=N)C(=N)CNC=N;LWGZKRZIIBSDQY-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351264;MM351264;CN(C=N)C(=N)CNC=O;VKGAJNNUJUAEOC-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351265;MM351265;CN(C=O)C(=N)C(O)CF;CYIANLJIZGERCJ-UHFFFAOYSA-N;148.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351266;MM351266;N=CNCC(=N)N(N)C=N;QUJVAKUDONZENO-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351267;MM351267;N#CC=CC1CC1CO;FXJQVMDAEALBKC-UHFFFAOYSA-N;123.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351268;MM351268;C=NNCC(=N)N(C)C=N;LCNGMXWBIGGWAJ-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351269;MM351269;C=CN(N)C(=N)C(O)CO;GQDDYJPHMSEESP-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351270;MM351270;CC#CC(C)=C(C)C(C)O;IXRZFULDRGKUHI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351271;MM351271;C#CC=CC1CC1CO;QHWJOHKXTGLQGJ-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351272;MM351272;C=NOC(=NC=O)NNC;BEUXULCPVVDATK-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351273;MM351273;C=CN(C)C(=O)C(C)CC;ADIXJWJZULSUCX-UHFFFAOYSA-N;141.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351274;MM351274;C=NN(C)C(=O)CN=CN;AHRCHIZEYQWZOS-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351275;MM351275;CCC(C)C(=O)N(C)C=O;HEDNBUGZTJLKMU-UHFFFAOYSA-N;143.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351276;MM351276;C=C(COC=O)N(N)C=N;WIKSTGXULKXQNE-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351277;MM351277;C=CN(C)C(=O)C(C)CN;SJUKBUJXCBQCCE-UHFFFAOYSA-N;142.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351278;MM351278;C=COCC(=C)N(N)C=O;UTYYNFITBJGZIB-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351279;MM351279;CC(CN)C(=O)N(C)C=N;FPRDEUQUQYPZQH-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351280;MM351280;C=CN(C)C(=N)COC=O;RHKLPXCYCXLGKP-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351281;MM351281;C=CN(C)C(=O)C(C)CO;LSZLBTGVLVHRTB-UHFFFAOYSA-N;143.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351282;MM351282;CN(C=N)C(=N)COC=O;AFUVBCFTMYZBJN-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351283;MM351283;CC(=O)C#CCC(C)(C)O;XNKCMKQVHRDMSU-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351284;MM351284;C=COCC(=N)N(C)C=O;DDXZRLMHBVGTAO-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351285;MM351285;CCC(N)C(=O)N(C)C=N;NKSFPTWAHHDKQW-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351286;MM351286;C=COCC(=N)N(N)C=O;MPOCINVZLZSHIY-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351287;MM351287;CN(C=O)C(=O)C(N)CN;XYUNRUMAQXBKDQ-UHFFFAOYSA-N;145.16;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351288;MM351288;C#CC(=C)CCC(O)C=C;VXGAJWCOWOEOER-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351289;MM351289;CC(=O)OCC(=O)C(=N)N;SMHBSRLRMNVTLK-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351290;MM351290;C=CC(C)=NOC(C)C=O;SSEAWIUUIQHBMZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351291;MM351291;CC(C)C#CCC(C)CO;XGKMYPAJFAOASI-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351292;MM351292;C=CN(C)C(=O)COC=O;XYYIBQLGWIIPDQ-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351293;MM351293;CC(C1CC1O)C(C)(C)C;USQPIMXGAJKBFK-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351294;MM351294;COC(=N)NN=C(N)OC;ZQBZYPLFOIFXCX-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351295;MM351295;CN(C=N)C(=O)C(O)CN;KDJAVCPFFFPQMN-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351296;MM351296;C=C(C#N)CC(CC)CO;UDGSFDYXKHMZDD-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351297;MM351297;CN(C=O)C(=O)C(O)CN;SZDRAKCXFRBFFJ-UHFFFAOYSA-N;146.15;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351298;MM351298;CC(O)CCC#CC=NN;XTXKJAKLOVGCCV-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351299;MM351299;C#CC(=CC(O)CC)CC;FKJCFSALMJCLAS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351300;MM351300;CN(C=O)C(=O)C(O)CO;HMBWTDLPFDPZDL-UHFFFAOYSA-N;147.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351301;MM351301;C#CC(=CCC(C)O)CF;FPUQOELZQMUYCQ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351302;MM351302;C=CN(C)C(=O)C(O)CF;KGAQGIWKMXTTAO-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351303;MM351303;C=NOCC(=C)N(N)C=N;BIHRFRZQXDTGNX-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351304;MM351304;CN(C=O)C(=O)C(O)CF;CHWDPXPNDLMGBD-UHFFFAOYSA-N;149.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351305;MM351305;C=NOCC(=N)N(C)C=O;YKWBJHLRLPKTIV-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351306;MM351306;C=C(C)C(C)C(=CC)CO;DFXUWKLZIQGSDL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351307;MM351307;CCC1(CC)C=CC(O)C1;PBSQLDNSHHEBKR-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351308;MM351308;C=NOC(=NNC)C(C)=O;TYMJJQSLKQLYPG-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351309;MM351309;C#CC(C)C(=C)C(O)C=C;OFVVFGDEYAITNJ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351310;MM351310;C=CN(O)C(=O)C(O)CC;PXTHUOOTMSFXFB-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351311;MM351311;C=NNC(C=O)=CN=NC;PZQCWVIPNDRHHK-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351312;MM351312;C=CN(C)C(=O)C(F)CC;ZYCKMWWSJBRUSW-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351313;MM351313;C=CC#CCC(CC)CO;UELFZAZOGXMINE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351314;MM351314;CN(C=O)C(=O)C(F)CO;ZZLZRTOJDJSENH-UHFFFAOYSA-N;149.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351315;MM351315;C=COCC(=N)N(C)N=C;HPMFKBWNXULJDT-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351316;MM351316;C=CC(C)(CC)C(=C)CO;VBRLZMCEMQOQQU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351317;MM351317;C=CN(C)C(=N)NCC=O;CGTWDXXOHUJSHV-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351318;MM351318;CN(C=O)C(=O)C(F)CF;FFRUCJACLOYXNH-UHFFFAOYSA-N;151.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351319;MM351319;C=CCNC(=N)N(C)C=N;OATMTKRVFBXEME-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351320;MM351320;C=CN(N)C(=O)C(F)CO;FMUVQPLTRRIWIE-UHFFFAOYSA-N;148.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351321;MM351321;CN(C=N)C(=N)NCC=O;QOAGOFJOSKQDDE-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351322;MM351322;CNC(C=O)(C=O)C(C)=O;PZZWXXUPXHRTAT-UHFFFAOYSA-N;143.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351323;MM351323;CN(C=O)C(=N)NCC=O;MCWIXLMBPFDXEB-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351324;MM351324;C=NN(C)C(=O)C(O)CN;NYUOPDMUSBBSOD-UHFFFAOYSA-N;145.16;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351325;MM351325;C=CN(C)C(=O)NCC#N;XNUFVOUTDOUUDQ-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351326;MM351326;C=NN(C)C(=O)C(O)CO;BSYHHJDTDHMQMV-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351327;MM351327;CC1C(C#N)C=CC1CO;AVWBLTWCFFGNQV-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351328;MM351328;C=CN(C)C(=O)C(C)NC;QRPPKJLLPHNVRT-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351329;MM351329;CN(C=O)C(=O)NCC=O;ZTLVQTNWBZLLHJ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351330;MM351330;CNC(C)C(=O)N(C)C=N;DBUVHKLURKGEMT-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351331;MM351331;C=CN(O)C(=O)NCC=O;QUJVLQMUSSCRIL-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351332;MM351332;CNC(C)C(=O)N(C)C=O;NXGPHXCGSNPXMS-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351333;MM351333;N=CN(O)C(=O)NCC=O;UCUOPFRXCCMJHH-UHFFFAOYSA-N;145.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351334;MM351334;CNC(C)C(=O)N(N)C=O;PEQYMVDALGEXOW-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351335;MM351335;C=CC(O)C1CC1CC#N;NIADQWSOIMRVHS-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351336;MM351336;C=NN(C)C(=O)C(C)NC;SIZZFRPXRIPFBW-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351337;MM351337;CN(C=N)C(=N)NNC=N;JFBQGOIYLSZOSJ-UHFFFAOYSA-N;142.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351338;MM351338;COC(C)C(=N)N(C)C=N;DHVSLJWGRPKKLF-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351339;MM351339;CN(C=N)C(=N)NNC=O;IWFPVPWCPUAMSI-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351340;MM351340;C=CN(N)C(=O)C(C)OC;GHRKMSFFBOMKDD-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351341;MM351341;C=CN(N)C(=N)NNC=N;TZJCCERJGALCNA-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351342;MM351342;CC(CO)CCC#CC#N;OIFJQMQKUPRYTP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351343;MM351343;N=CNNC(=N)N(N)C=N;JIYKBRDKIGIVPX-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351344;MM351344;C=NN(C)C(=N)C(C)OC;RZLLKYOQXSVPAK-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351345;MM351345;N=CN(N)C(=N)NNC=O;ZBCAXJWVKLWSDC-UHFFFAOYSA-N;144.14;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351346;MM351346;CCN(C)C(=N)C(C)C#N;IRIDDAAEYIALGV-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351347;MM351347;N=CNNC(=N)N(N)C=O;FMXRNQFXASVVFL-UHFFFAOYSA-N;144.14;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351348;MM351348;CCN(C)C(=N)C(O)C#N;HKFSZJLMXUCASF-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351349;MM351349;C=CN(O)C(=N)NNC=O;PMLVNPJUFJVQGF-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351350;MM351350;CC#CC=NNC(C)C=O;IGBHHEYIIHFHFH-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351351;MM351351;C=CN(C)C(=O)NNC=N;WYOHEQODZRBUKK-UHFFFAOYSA-N;142.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351352;MM351352;C=CC(O)C(=N)N(N)CC;SVQKPGQESLZJQB-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351353;MM351353;C=CN(C)C(=O)NNC=O;KADRTJMWJSPGNH-UHFFFAOYSA-N;143.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351354;MM351354;CCN(C)C(=O)C(C)C=O;YRAYDWMATFWTJA-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351355;MM351355;CN(C=N)C(=O)NNC=N;HQLQRMLLMPKLRK-UHFFFAOYSA-N;143.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351356;MM351356;C=CC(C)C(=O)N(C)NC;GCOIYSFUNPIMBO-UHFFFAOYSA-N;142.2;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351357;MM351357;CC1=CC(C)(O)C=C1;BOEHZHZPLQBNPO-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351358;MM351358;CNN(C)C(=O)C(C)C#N;MRMZPXSTLUORRD-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351359;MM351359;CN(C=O)C(=O)NNC=N;DVSPERXHGKQGCH-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351360;MM351360;CNN(C)C(=O)C(O)C#N;QEXHNCMHRSNLEF-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351361;MM351361;Cn1nncc1O;TVCLKQLFVRTJTA-UHFFFAOYSA-N;99.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351362;MM351362;C=CCC#CCC(C)CO;KBKGUZHOKPQEAW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351363;MM351363;C=CN(N)C(=O)NNC=O;NUTOKVSYQZZVSL-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351364;MM351364;C=CC(C)C(=O)N(C)OC;LSYFSHQYLCPDBU-UHFFFAOYSA-N;143.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351365;MM351365;N=CNNC(=O)N(N)C=N;HXSFEUNSWHIYHP-UHFFFAOYSA-N;144.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351366;MM351366;CON(C)C(=O)C(C)C=O;TVQALZYRDSYJMK-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351367;MM351367;N=CN(N)C(=O)NNC=O;BDTWZRJLXLKCCZ-UHFFFAOYSA-N;145.12;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351368;MM351368;CON(C)C(=O)C(O)C#N;AGMDSCPFJDAXOF-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351369;MM351369;N=CNNC(=O)N(N)C=O;ZBTKIRVSAKMORH-UHFFFAOYSA-N;145.12;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351370;MM351370;CON(C)C(=O)C(F)C#N;UJNIIAFNGIMUQJ-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351371;MM351371;C=CN(O)C(=O)NNC=N;JPHLVQFTLDNBOR-UHFFFAOYSA-N;144.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351372;MM351372;CCN(C)C(=N)N(N)C=N;TYPZECOIOMDDES-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351373;MM351373;N=CN(O)C(=O)NNC=O;FOTZKNAEHIQECZ-UHFFFAOYSA-N;146.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351374;MM351374;CCN(C)C(=N)N(N)C=O;OTWGSQHRQBJPKB-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351375;MM351375;NN=CN=C(N)C(=O)O;PRRNSAXPSIBDQU-UHFFFAOYSA-N;130.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351376;MM351376;C=CN(O)C(=N)N(C)CC;QWCVJUBONHKXHM-UHFFFAOYSA-N;143.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351377;MM351377;C=NN(C)C(=O)NNC=N;KXWJXMBPBYZSTQ-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351378;MM351378;CCN(C)C(=N)N(O)C=N;POMBOVFTCQAXEB-UHFFFAOYSA-N;144.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351379;MM351379;CN(C=N)C(=N)NOC=O;LNCQQDYSORWFMV-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351380;MM351380;C=CN(C)C(=N)N(N)CC;ZANXPMVCPVIBTM-UHFFFAOYSA-N;142.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351381;MM351381;N=CN(N)C(=N)NOC=O;BSKFFLYZZNVJRE-UHFFFAOYSA-N;145.12;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351382;MM351382;CCN(O)C(=N)N(C)C=N;PZOQHUXLZVBDNJ-UHFFFAOYSA-N;144.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351383;MM351383;N=C(NOC=O)N(N)C=O;CLIPVQKPJYNYBL-UHFFFAOYSA-N;146.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351384;MM351384;CCN(O)C(=N)N(N)C=N;BQYMBAAIJJPEJN-UHFFFAOYSA-N;145.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351385;MM351385;CCC1(C)CC1CO;AHDURQFREHVPLC-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351386;MM351386;C=CN(N)C(=O)N(C)CC;YHDBQPJGUFKNFO-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351387;MM351387;C=C(OCC=O)N(C)C=N;LLMGAIHFLFJRKK-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351388;MM351388;CCN(C)C(=O)N(N)C=N;KABHXPYBRQHSTF-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351389;MM351389;C=C(OCC=O)N(C)C=O;MRIWNPKILQEXDB-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351390;MM351390;CCN(C)C(=O)N(N)C=O;VKMRGEMHLFVTCY-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351391;MM351391;C=CN(C)C(=N)OCC=O;CTHQXKNROXDHCK-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351392;MM351392;CCN(C)C(=O)N(O)C=N;OPOFHFVWJOINTO-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351393;MM351393;C=CN(C)C(=N)OCC#N;MWBPSNWAQCYDRG-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351394;MM351394;CCN(N)C(=O)N(C)C=O;KWMKGDRSOVGFRB-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351395;MM351395;CC(C=O)CN(C)C=O;VJXWKVJGKXMPES-UHFFFAOYSA-N;129.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351396;MM351396;C=CN(N)C(=O)N(N)CC;RFRGVYSBRAMNEM-UHFFFAOYSA-N;144.18;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351397;MM351397;CN(C=N)C(=O)OCC#N;OJIVLDJZHQQTNV-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351398;MM351398;C=CN(N)C(=O)N(O)CC;ONJAICYDQWUEGE-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351399;MM351399;CN(C=O)C(=O)OCC#N;ZPNOJMSGZKITMV-UHFFFAOYSA-N;142.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351400;MM351400;C=NN(C)C(=N)N(N)CC;CTWOLRXNOQCTTO-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351401;MM351401;C=CCOC(=O)N(N)C=C;IBQMXRPIYTZVTB-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351402;MM351402;C=NN(C)C(=O)N(O)CC;HVMQYZBXAGVLNC-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351403;MM351403;CC(=O)CNCCC#N;JYLMJPGUWZEKQZ-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351404;MM351404;CNN(C)C(=N)N(C)C=N;XGERKKZYNDXBHX-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351405;MM351405;CN(C=O)C(=N)ONC=O;ZORFCAVTXVKZLP-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351406;MM351406;CNN(C)C(=N)N(N)C=N;UDPZLJOLORFUKC-UHFFFAOYSA-N;144.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351407;MM351407;N=C(ONC=O)N(N)C=O;KJSYVMBYQDSWOO-UHFFFAOYSA-N;146.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351408;MM351408;CNN(C)C(=N)N(N)C=O;OAVNRQIKSJBBBL-UHFFFAOYSA-N;145.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351409;MM351409;CN(C=N)C(=O)ONC=O;CEVSGYZYNKXEAZ-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351410;MM351410;C=CN(O)C(=N)N(C)NC;AQVKKVLIKZREKH-UHFFFAOYSA-N;144.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351411;MM351411;N=CN(N)C(=O)ONC=O;CKWPBQUDUFJJTK-UHFFFAOYSA-N;146.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351412;MM351412;C=NN(C)C(=O)ONC=O;DXFMDAZNOWELMI-UHFFFAOYSA-N;145.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351413;MM351413;CNN(C)C(=O)N(C)C=O;SAFHSOODHNBRIR-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351414;MM351414;C#CC(=C)C1(O)CC1C;JCDRSJHAPDEYSX-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351415;MM351415;C=CN(N)C(=O)N(C)NC;JOERBBBKMBUHNB-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351416;MM351416;C#CCCC(=O)C(C)C=C;LTRNNOCFTAWEID-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351417;MM351417;CNN(C)C(=O)N(N)C=N;HWZSVBHDWIWYLH-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351418;MM351418;C#CCNC(=N)C(O)C=C;PODMKGFYNLOCHB-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351419;MM351419;CNN(C)C(=O)N(N)C=O;UTEQETIJPDFPQB-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351420;MM351420;C=CC=NOC(C)C=O;KDNHULVAOLERSZ-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351421;MM351421;CNN(C)C(=O)N(O)C=N;RHCCHWOXQYPELX-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351422;MM351422;C#CCNC(=O)C(O)C=C;LHBKNNLEVBRJSF-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351423;MM351423;C=NN(C)C(=N)N(C)NC;GJSBVNNSQQEMOR-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351424;MM351424;C#CCNC(=O)C(O)C=O;HRKPCPCOJICFHN-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351425;MM351425;CON(C)C(=N)N(C)C=N;UEQZIKGTZMDNEP-UHFFFAOYSA-N;144.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351426;MM351426;C#CCNC(=O)C(O)C#N;QTOZMOFGAKUDRZ-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351427;MM351427;CON(C)C(=N)N(N)C=N;SMYQVPDBEKIMTO-UHFFFAOYSA-N;145.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351428;MM351428;C#CCNC(=O)C(F)C=C;SMOZMXUKVHTNMS-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351429;MM351429;C#CC(C)C(=C)C(C)CC;JFFZOFZHPCOKJE-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351430;MM351430;C#CCNC(=O)C(F)C=O;IELPGOMMBQXBDW-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351431;MM351431;C#CC(C)C(=C)C(C)CN;KANLDHPKKWDQAU-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351432;MM351432;C#CCOC(=C)C(C)C=O;JHGDYPPBJXYDJY-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351433;MM351433;C#CC(N)C(=C)C(C)CC;RUGRRSBIQWEIIN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351434;MM351434;C#CCOC(=C)C(O)C#N;VHABPHQDYFLNLS-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351435;MM351435;C#CC(N)C(=C)C(C)CF;IJLBERCIULCOEC-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351436;MM351436;C#CCOC(=O)C(F)C=C;FOAVQJSDWAZTBT-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351437;MM351437;C#CCCC(=C)N(N)C=O;VXZBCGGPYWVFIW-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351438;MM351438;C#CC(O)C(=C)C(C)CO;MVYVMJGPXLSARI-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351439;MM351439;C#CCCC(=C)N(O)C=N;PGSFGNZGRCVMHR-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351440;MM351440;C#CC(F)C(=C)C(C)CC;PLKMPKHTIPOBEY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351441;MM351441;C#CCCC(=N)N(C)C=C;FGLBPKMULHUURF-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351442;MM351442;C#CC(C)C(=C)C(N)CF;HKZOBVQSSUKXRH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351443;MM351443;C#CCCC(=O)N(C)C=C;BERAIHQUPXESCV-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351444;MM351444;C#CC(N)C(=C)C(N)CN;KYHGCJBWVDUEID-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351445;MM351445;C#CCCC(=O)N(C)C=N;QLEKHLVNVWYYIM-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351446;MM351446;C#CC(O)C(=C)C(N)CN;DMCRGSBVZKDTDV-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351447;MM351447;C#CCCC(=O)N(C)C=O;BKOMQCLCZOEDFS-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351448;MM351448;C#CC(N)C(=C)C(F)CC;PFGMPGVZIQFIFV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351449;MM351449;C#CCCC(=O)N(N)C=N;WMEZQSNCLZGGQW-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351450;MM351450;C#CC(O)C(=C)C(F)CC;ARNWSQLCFFUMRI-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351451;MM351451;CC12C=CC(O)CC1C2;QVEQXMAAOBAXAV-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351452;MM351452;C#CC(O)C(=O)C(C)CF;KVQOWWHPESFHEK-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351453;MM351453;C#CCNC(=N)N(C)C=C;VPSHHJKNAITHJC-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351454;MM351454;C#CC(C)C(=O)C(O)CC;SHKIKLUOTPFLIC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351455;MM351455;C#CCNC(=N)N(C)C=N;MHPXBUVGFLDWBI-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351456;MM351456;C#CC(F)C(=O)C(O)CO;OCQCHALDXYJPSC-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351457;MM351457;C#CCNC(=N)N(C)C=O;QYUBOZPORYUFGV-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351458;MM351458;C#CC(O)C(=O)C(F)CO;AYUNBXUAKBLSIB-UHFFFAOYSA-N;146.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351459;MM351459;C#CCNC(=N)N(O)C=N;KCVKAOIHNUTEEB-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351460;MM351460;C#CC(O)C(=O)C(F)CF;YEMORPUIWCPVBE-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351461;MM351461;C=COc1cc(N)c[nH]1;KMIDPWMBRMUNHB-UHFFFAOYSA-N;124.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351462;MM351462;C#CC(C)C(=C)C(C)NC;UUCXINQPDAPUQD-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351463;MM351463;C#CCNC(=O)N(C)C=O;LCTPRSZWYZAWGG-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351464;MM351464;C#CC(N)C(=C)C(C)NC;PAFUFKFNPPLCIW-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351465;MM351465;C=CC1=CC2C(O)C2C1;LCSATEILYDLGHY-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351466;MM351466;C#CC(F)C(=C)C(C)NC;HQYQWJLHINPJGM-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351467;MM351467;O=CC1=CC2C(O)C2C1;RIRTXORHNMXKCF-UHFFFAOYSA-N;124.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351468;MM351468;C#CC(O)C(=O)C(C)OC;KONJMWJWLVMHMM-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351469;MM351469;C#CCNC(=O)N(O)C=C;FGMZHKKGNBLYFZ-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351470;MM351470;C#CC(F)C(=O)C(C)OC;LVKQNHNWMIDDCC-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351471;MM351471;C#CCNC(=O)N(O)C=N;GQYZWLJCWDYKAR-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351472;MM351472;C#CC(N)C(=N)N(C)CC;RWKVEDIQPUNKLB-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351473;MM351473;C#CCOC(=N)N(C)C=C;LPLJWXLMCOXUIO-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351474;MM351474;C#CC(O)C(=N)N(C)CC;FLTOAESVCVAYEV-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351475;MM351475;C#CCOC(=N)N(C)C=O;NZOLSWWVSFQXKH-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351476;MM351476;C#CC(C)C(=O)N(C)CC;YWNACEHKLVPINS-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351477;MM351477;C#CCOC(=N)N(N)C=O;XPJZDLBJPJJUFR-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351478;MM351478;C#CC(O)C(=O)N(C)CC;LQSSVUAMOYDDRK-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351479;MM351479;CC1(O)CC(C#CC#N)C1;FUDGVORFNNBJEK-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351480;MM351480;CC#CC(C=O)NN=CC;XAJDEGKILOQHPI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351481;MM351481;C#CCOC(=O)N(C)C=C;LLXIYMKXDUNSNY-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351482;MM351482;C=C1C(O)C=C(CC)C1C;ZRPUKTWECXPSTN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351483;MM351483;C#CC(C)C(=C)CCCN;CHSARXYAGAEYPL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351484;MM351484;C#CC(C)C(=N)N(C)NC;WSGDIKITUCYLNC-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351485;MM351485;C=C(C)C=NOC(C)C=O;FBIGWHQQYAUASF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351486;MM351486;C#CC(C)C(=O)N(C)NC;CFNVJMDUEZANNR-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351487;MM351487;C#CC(N)C(=C)CCCC;RATSAFCXVJPMOZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351488;MM351488;C#CC(C)C(=O)N(C)OC;MMJVWBAVGPTNTO-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351489;MM351489;C#CC(O)C(=C)CCCC;OQYWEUNDXUEYSA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351490;MM351490;C#CC(O)C(=O)N(C)OC;TZVPJSXZNPILLU-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351491;MM351491;C#CC(F)C(=C)CCCN;GFBJGAFTKWMEJH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351492;MM351492;C=CC(C)C(=C)C(C)C#N;SCXVDKSIOLKOSC-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351493;MM351493;C=NN=C(C)CC(=O)CC;JBVFWXLWANMVEP-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351494;MM351494;C=C(C(C)C#N)C(C)C#N;XUPPNOGWMVJTEK-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351495;MM351495;C#CC(C)C(=O)CCCF;RSBGYIPSOXKYBD-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351496;MM351496;C=CC(C)C(=C)C(N)C=C;BKQZPDDOQBNFQU-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351497;MM351497;C#CC(O)C(=O)CCCC;SELILZPGACHYHZ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351498;MM351498;C=NN(CC)C(C=O)CC;VDCKKSPBEOUACU-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351499;MM351499;C#CC(O)C(=O)CCCF;HARYOCWPYLZQBE-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351500;MM351500;C=CC(C)C(=C)C(O)C#N;QMWQJAFOJSYKDA-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351501;MM351501;C#CC(F)C(=O)CCCF;FZTZZTGJZAAPBZ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351502;MM351502;C=CC(O)C(=C)C(C)C=O;UVGKSBFKMJBPAD-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351503;MM351503;C#CC(C)C(=C)CCNC;HXXILWYFJIDDLE-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351504;MM351504;C=C(C(C)C=O)C(O)C=O;BNVGTNYRBHRRHK-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351505;MM351505;C#CC(F)C(=C)CCNC;JDOOPJOTKLMPTF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351506;MM351506;C=CC(C)C(=C)C(F)C#N;YAIAJJVXQJUGNN-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351507;MM351507;C#CC(C)C(=C)CNCC;XNEQOTKOOMNHCT-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351508;MM351508;C=CC(F)C(=C)C(C)C=O;OALICGNTYAUWGL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351509;MM351509;C#CC(N)C(=C)CNCC;VOKXPUZXDPVMAI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351510;MM351510;C=CC(N)C(=C)C(F)C=C;IVBOGZSJYQFUFB-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351511;MM351511;C#CC(O)C(=C)CNCC;LMIZUBSBYKXNCL-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351512;MM351512;C=CC(O)C(=C)C(F)C#N;JSMVHFYQXMSARY-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351513;MM351513;C#CC(C)C(=C)COCC;UWKUVLOGBXKTJM-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351514;MM351514;C=CC(F)C(=C)C(F)C=O;WBICVLWYEHBAKF-UHFFFAOYSA-N;146.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351515;MM351515;C#CC(O)C(=O)COCC;KPMJHMJFOHGLPV-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351516;MM351516;C=CC(C)C(=O)C(C)C=C;YYWOXPGHTYRUMX-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351517;MM351517;C#CC(C)C(=N)NCCC;YHRKCUNBDWNYJQ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351518;MM351518;C=CC(C)C(=O)C(C)C=O;WXGDHBRFBDJTKX-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351519;MM351519;C#CC(C)C(=N)NCCO;JYZKDUXOEXAYQF-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351520;MM351520;C=CC(C)C(=O)C(O)C=C;COUWSRHWCUCPGZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351521;MM351521;C#CC(N)C(=N)NCCN;ASXBKNUEXUYUBL-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351522;MM351522;C=CC(O)C(=O)C(C)C=O;PLNJXFMSXUAVGM-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351523;MM351523;C#CC(O)C(=N)NCCN;MTGJTEXCSVHXMQ-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351524;MM351524;CC(C=O)C(=O)C(O)C#N;RECGITLSEHVGCZ-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351525;MM351525;C#CC(O)C(=N)NCCO;COXSPOKYCGJWGT-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351526;MM351526;C=CC(C)C(=O)C(F)C=C;HPWRLXGAWVYRIH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351527;MM351527;CC#CC(C)=CC(O)CC;DHVZSSXEKCEEPO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351528;MM351528;C=CC(C)C(=O)C(F)C#N;SNJDIDPRUHOHMG-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351529;MM351529;C#CC(C)C(=O)NCCN;WSJRDCJBKVOHHK-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351530;MM351530;C=CC(F)C(=O)C(C)C=O;DOJJZROPQHTJCM-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351531;MM351531;C#CC(N)C(=O)NCCN;HTVKSQLOPHRCLU-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351532;MM351532;C=CC(F)C(=O)C(C)C#N;MAEGYTHCKJCENQ-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351533;MM351533;C#CC(O)C(=O)NCCC;AGWMUMQQHAEYCY-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351534;MM351534;CN(N)C(=NC=N)C(=O)O;KJPTWDXDAFXUCO-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351535;MM351535;C#CC(O)C(=O)NCCN;VLQIVNKERAWCMI-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351536;MM351536;C=CC(O)C(=O)C(F)C#N;NBWNQQQTEIIGNK-UHFFFAOYSA-N;143.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351537;MM351537;C#CC(O)C(=O)NCCO;XELNPXZKYCEPKV-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351538;MM351538;O=C(O)C(O)C(F)CO;KJIIVHBOEFBDBS-UHFFFAOYSA-N;138.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351539;MM351539;C#CC(F)C(=O)NCCN;OZITUJPSSXCTCI-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351540;MM351540;N#CC(F)C(=O)C(F)C#N;NCTUAAFPCJNSNY-UHFFFAOYSA-N;144.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351541;MM351541;C#CC(F)C(=O)NCCO;UZBHANQTILLIDI-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351542;MM351542;C=CC(C)C(=C)N(C)C=N;CAAPPVSKVKWWKM-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351543;MM351543;C#CC(C)C(=N)NNCC;NILTULFDXJRQAP-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351544;MM351544;C=CC(C)C(=C)N(N)C=N;HPLPMXHSDDDVSQ-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351545;MM351545;C=C(C=CC)C(O)C=CC;CHCAEHZLKDUWGZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351546;MM351546;C=CC(C)C(=C)N(N)C=O;ADHIBJIDEXOFHB-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351547;MM351547;Cn1c(=O)nn[nH]c1=N;HXGPPHHOTXFVPP-UHFFFAOYSA-N;127.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351548;MM351548;C=C(C(O)C=O)N(C)C=N;NPHJILJJGPDFEM-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351549;MM351549;C#CC(C)C(=C)OCCN;PCJMXNXQXMDPTC-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351550;MM351550;C=C(C(O)C#N)N(C)C=N;PKLKJOGMUATZGE-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351551;MM351551;C#CC(C)C(=C)OCCF;FHNFMAGLRDEHIG-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351552;MM351552;C=C(C(O)C=O)N(O)C=O;WAEJQMSUAKSLHZ-UHFFFAOYSA-N;145.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351553;MM351553;C#CC(C)C(=O)OCCN;PHMZCZUFPSNIEM-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351554;MM351554;C=C(C(O)C#N)N(O)C=O;HEXSGXWQORVNLD-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351555;MM351555;C#CC(C)C(=O)OCCO;PBKUKJYYHUENKD-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351556;MM351556;C=CC(F)C(=C)N(N)C=N;ZGRRIAQFNJYPHV-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351557;MM351557;C#CC(C)C(=O)OCCF;VEQZSQUCKHHYSI-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351558;MM351558;C=CN(C)C(=N)C(C)C#N;KBIRHCLXCAGQJV-UHFFFAOYSA-N;137.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351559;MM351559;C#CC(N)C(=O)OCCC;ZIBRTHBHBJUCHU-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351560;MM351560;CC(C=O)C(=N)N(C)C=N;ZZILUGKAXDBMAD-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351561;MM351561;C=C(CC=O)C(C)=NNC;AHWLPBDMXCCIJV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351562;MM351562;C=CC(N)C(=N)N(C)C=N;YUHHQTDVALMHRN-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351563;MM351563;C#CC(N)C(=O)OCCF;XRDWCWOPOCVLTK-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351564;MM351564;CN=C(C=O)NOCC=O;UGGMZWPAEZYDJM-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351565;MM351565;C#CC(O)C(=O)OCCF;UZXLPAZABASWQN-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351566;MM351566;C#CC(F)C(=O)OCCO;HZTWLJCLLLLRRW-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351567;MM351567;CN(C=N)C(=N)C(O)C=O;IENXKLQUULVWGO-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351568;MM351568;C#CC(C)C(=C)OCOC;VRVJSWOWGNFBGI-UHFFFAOYSA-N;140.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351569;MM351569;CC1=C(CO)C2CC1(C)C2;XUQUWCZCXVZSCP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351570;MM351570;C#CC(C)C(=O)OCOC;ITTAYKAYGJZKAI-UHFFFAOYSA-N;142.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351571;MM351571;CC(C1CC1O)C1(C)CC1;LTZOHIWXSMZSHE-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351572;MM351572;C#CC(O)C(=O)OCOC;PYKKCRZJEDQZHU-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351573;MM351573;C=C1C(C#CC)=CCC1O;AXFZWNQBNVERTM-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351574;MM351574;C#CC(C)C(=C)CCC=C;NLPYDXARQLZVMX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351575;MM351575;CCCC(=O)N1CC1C=O;HXLMRVMYAZWZGC-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351576;MM351576;C#CC(C)C(=C)CCC=O;HKPKYILTIYJPOI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351577;MM351577;C=CN(O)C(=O)C(C)C=O;WOIRGOWARVADLF-UHFFFAOYSA-N;143.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351578;MM351578;C#CC(N)C(=C)CCC=C;HKRUKQYSSNZWSE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351579;MM351579;CCCC=CC1CC1CO;UIXDFYDWQCUYKP-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351580;MM351580;C#CC(O)C(=C)CCC=C;UVECBPUOXUWKNH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351581;MM351581;N#CCC=CC1CC1CO;WCJPIDAZZSHNMD-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351582;MM351582;C#CC(F)C(=C)CCC=O;WSUIOIHHQMADRV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351583;MM351583;C=CC(O)C(=O)N(C)C=O;XEHTZWQIYHABQR-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351584;MM351584;C#CC(C)C(=O)CCC=C;IIMCDHAGISGJNA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351585;MM351585;CN(C=O)C(=O)C(O)C=O;JWUDLDQBXFPARP-UHFFFAOYSA-N;145.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351586;MM351586;C#CC(O)C(=O)CCC=O;RBRKQJYKKDBBFV-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351587;MM351587;CC#CC=CC1CC1CO;RHLMYUIMVOWPJQ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351588;MM351588;C#CC(O)C(=O)CCC#N;YSIUWMSQCDSWMS-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351589;MM351589;OC1CC1C1CC1;ORMITYGQDUOPIJ-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351590;MM351590;C#CC(O)C(=C)CNC=N;AOXQYFAGZBFIFE-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351591;MM351591;C=CC(O)C(=O)N(N)C=O;VAKLSJIGCOCJFB-UHFFFAOYSA-N;144.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351592;MM351592;C#CC(O)C(=C)CNC=O;GIESSNODPYMXAD-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351593;MM351593;C=CC(O)C(=O)N(O)C=C;NHRXEOWCICDESI-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351594;MM351594;C#CC(C)C(=O)CNC=O;PDEVHORVRDTIQB-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351595;MM351595;C=CN(O)C(=O)C(O)C=O;JHZIEXSEZFYWLP-UHFFFAOYSA-N;145.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351596;MM351596;C#CC(N)C(=C)COC=O;CVEQPMOSDXTXBE-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351597;MM351597;C=CC(F)C(=O)N(C)C=O;OXWJFZJVMZJVNC-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351598;MM351598;C#CC(O)C(=C)COC=O;LEYSIXBLNVSLDA-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351599;MM351599;C=CN(C)C(=O)C(F)C#N;VGGKABLNSPADGL-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351600;MM351600;C#CC(O)C(=O)COC=C;PHEKDQZZGCCGFF-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351601;MM351601;CN(C=N)C(=O)C(F)C=O;VITMJTLZDQDKQM-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351602;MM351602;C#CC(C=C)CC(C)CO;IXLUWMMJUWLPKI-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351603;MM351603;CN(C=O)C(=O)C(F)C#N;RFYYZDCPNCWOEO-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351604;MM351604;C#CC(C)C(=O)NCC=O;WWBJXQXKQVFPCZ-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351605;MM351605;CC(C)=CC(C)CO;NQQLYHMIVVKJEY-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351606;MM351606;C#CC(O)C(=O)NCC=O;ZPKGBVWIXBLVEI-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351607;MM351607;CC1CC1(C)CCO;BYMPXOMFXJRUAC-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351608;MM351608;C#CC(O)C(=O)NCC#N;CTFUTEFSLLRPLP-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351609;MM351609;CCC1(CCO)CC1;NRMFVJZDWYVMBR-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351610;MM351610;C#CC(C)C(=N)NNC=N;ATKZVOIITDNTCP-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351611;MM351611;C=NN(C)C(=O)C(C)C=O;CJXPCZUVYJBVEZ-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351612;MM351612;C#CC(O)C(=O)NNC=O;MMQSTVFUTSKZOM-UHFFFAOYSA-N;142.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351613;MM351613;C=CC(C)(C)C(=C)CO;ZPPMVMVAHMMOOL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351614;MM351614;C=CC(O)C(=C)C(C)=CC;RBVAWIYYIQEHEA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351615;MM351615;C=NN(C)C(=O)C(O)C=O;CFKINYWWIKYELZ-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351616;MM351616;C#CC(O)C(=O)NOC=O;PIKZCGUQSIAMAO-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351617;MM351617;C=C(N(C)C=N)N(N)C=N;VKTVIZXGPNHWHI-UHFFFAOYSA-N;141.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351618;MM351618;C#CC(F)C(=O)NOC=O;FXFHGWBSMAZSMU-UHFFFAOYSA-N;145.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351619;MM351619;C=C(N(C)C=N)N(N)C=O;LINRCVKQXAWDIN-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351620;MM351620;C#CC(C)C(=C)OCC#N;HKSUHYZHGKQAML-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351621;MM351621;C=C(N(C)C=O)N(N)C=N;XUBFYNICYHNLIY-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351622;MM351622;C#CC(O)C(=C)OCC=O;YBYVOELGTNIZTQ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351623;MM351623;C=C(N(C)C=N)N(O)C=N;IZBRYLWHIRMPAQ-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351624;MM351624;C#CC(F)C(=C)OCC#N;OTFGSIDCSSDINL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351625;MM351625;C=C(N(C)C=O)N(O)C=N;WNTUHFBSYGGSKS-UHFFFAOYSA-N;143.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351626;MM351626;C#CC(C)C(=O)OCC#N;RHUZPWMSLDJJNB-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351627;MM351627;C=C(N(N)C=N)N(N)C=N;LIDWIPMAGUSTES-UHFFFAOYSA-N;142.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351628;MM351628;C#CC(N)C(=O)OCC=C;XIBAUQVHXBRHJT-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351629;MM351629;C=C(N(N)C=N)N(N)C=O;CBLNYQIMLKSMJA-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351630;MM351630;CC(CCC=O)NCC#N;VEDQQAWMBJLBPX-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351631;MM351631;C=C(N(N)C=N)N(O)C=N;GFUCNZRIUHBGBC-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351632;MM351632;C#CC(=N)NN=COC=O;FISXTBCQLBJIJN-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351633;MM351633;C=C(N(N)C=O)N(O)C=O;UXDXZJUAYDFALJ-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351634;MM351634;C#CCCC(=C)C(C)C#C;WYYRKQHBMWIELP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351635;MM351635;C=CN(C)C(=N)N(N)C=N;OPXLBGXYHGEVNS-UHFFFAOYSA-N;141.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351636;MM351636;C#CCCC(=C)C(N)C#C;CYVYTNQAANKCNI-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351637;MM351637;C=CN(N)C(=N)N(C)C=N;ASGSBDAGEBUROE-UHFFFAOYSA-N;141.18;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351638;MM351638;C#CCCC(=O)C(C)C#C;RQEQBIFLRQTJDK-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351639;MM351639;C=CN(N)C(=N)N(C)C=O;GVOLIZJCWZRQDM-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351640;MM351640;C#CCNC(=N)C(C)C#C;MOZAWWUFVIASKJ-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351641;MM351641;C=CN(C)C(=N)N(O)C=C;QQXULHYPIWREOB-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351642;MM351642;COC=NNC=C(F)C#N;AFYVCCCBLBTGGO-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351643;MM351643;C=CN(C)C(=N)N(O)C=N;KLWHOCQAVBLMFW-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351644;MM351644;C#CCNC(=O)C(C)C#C;XDERCZWLKJGXNZ-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351645;MM351645;C=CN(O)C(=N)N(C)C=N;DECWHCMFMMVRJL-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351646;MM351646;C#CCNC(=O)C(O)C#C;DTXJPCQPBYYUSI-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351647;MM351647;C=CN(N)C(=N)N(N)C=N;LXNRZTZULKVJEJ-UHFFFAOYSA-N;142.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351648;MM351648;C#CCNC(=O)C(F)C#C;VQZZYRHYCLUSOQ-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351649;MM351649;C=CN(N)C(=N)N(N)C=O;QLYLLFJTKODXCY-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351650;MM351650;C#CCOC(=C)C(F)C#C;KWCARMVOCNVDTH-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351651;MM351651;C=CN(C)C(=O)N(N)C=N;MDODHLRZTLDRJD-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351652;MM351652;C#CCOC(=O)C(C)C#C;HFWILNITENOGHT-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351653;MM351653;C=C(CC)C(=C)CCCC;QINUHCOANSDFJK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351654;MM351654;C=CN(N)C(=O)N(C)C=O;CEKODNNNXWKOKG-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351655;MM351655;C=C(CC)C(=C)CCCN;CMOZHPUXPZWUTK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351656;MM351656;C=CN(C)C(=O)N(O)C=C;APNWYEQCJIIAHR-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351657;MM351657;C=CC(=C)C(C)C1CC1O;RJEGCQYWGZOHMD-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351658;MM351658;C=CN(C)C(=O)N(O)C=N;UUERFRDXPGMOHW-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351659;MM351659;C=C(CN)C(=C)CCCF;GDTWTPFOFXLYLE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351660;MM351660;C=CN(O)C(=O)N(C)C=N;DDUDISNJSGTMLR-UHFFFAOYSA-N;143.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351661;MM351661;COC(CF)=NNCC#N;XBNHGFJVUVNQJP-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351662;MM351662;C=CN(N)C(=O)N(N)C=O;GTFZYHUYWSHEGS-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351663;MM351663;C=C(CF)C(=C)CCCC;CYCAUWVEXCACOY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351664;MM351664;N=CN(N)C(=O)N(N)C=N;YOQFZASMWQHBCR-UHFFFAOYSA-N;144.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351665;MM351665;C=C(CF)C(=C)CCCF;BPOJGSHKCBQCAI-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351666;MM351666;C=CN(O)C(=O)N(N)C=N;CTZJBWWUMBDTAH-UHFFFAOYSA-N;144.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351667;MM351667;C=C(CCCC)C(=O)CC;BMYPWMYPVLZNRL-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351668;MM351668;C=CN(O)C(=O)N(N)C=O;SCSGWMSWWLZXBV-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351669;MM351669;C=CC1(C#N)CN1CC=O;XTDYSUQSSOZLEB-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351670;MM351670;C=CN(C)C(=N)N(C)N=C;AUAIOYISVOVUPU-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351671;MM351671;C=C(CCCF)C(=O)CC;FDHOHGPKWQYKQS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351672;MM351672;C=CN(N)C(=N)N(C)N=C;CUJKAYOSPHNCCV-UHFFFAOYSA-N;141.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351673;MM351673;C=C(CCCF)C(=O)CF;LFKKPKXSACPOQE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351674;MM351674;C#CC(C)C(=C)C(C)C=O;LIAWZFCLYCVGHI-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351675;MM351675;C=C(CC)C(=O)CCCC;SXQNNNMCZMIEMU-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351676;MM351676;C#CC(N)C(=C)C(C)C=C;WTIOUHSOERRNGJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351677;MM351677;C=C(CC)C(=O)CCCO;SXLPTJXPMGOINN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351678;MM351678;C#CC(O)C(=C)C(C)C=C;BRSUCTPEIXIWFW-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351679;MM351679;C=C(CC)C(=O)CCCF;OGTFHZDPHPDLCY-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351680;MM351680;C#CC(O)C(=C)C(C)C#N;RKFFDHFKRMUHPF-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351681;MM351681;C=C(CC)C(=C)CCNC;GHLOMUWXNACDCN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351682;MM351682;C#CC(F)C(=C)C(C)C=C;DTWVJAPKSLLCRC-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351683;MM351683;C=C(CC)C(=O)CCNC;KORATTXOECLANB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351684;MM351684;C#CC(F)C(=C)C(C)C#N;HVAMDVHIDHRGRG-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351685;MM351685;C=C(CO)C(=C)CCOC;PONPZEOHUUOXFX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351686;MM351686;C#CC(N)C(=C)C(N)C=C;MHTLUUSYBXILJL-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351687;MM351687;C=C(CCOC)C(=O)CF;IPPDTZXEAVVYCT-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351688;MM351688;C=C(CC)C(=O)CCOC;PBJQLJMDCXTJJM-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351689;MM351689;C#CC(C)(CC)CCO;MGZMTHVMZGSIGO-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351690;MM351690;C=C(CO)C(=O)CCOC;SQHQGJVQARFIIF-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351691;MM351691;C#CC(C)C(=C)C(F)C=C;MYPUFRFHBRODIW-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351692;MM351692;C=C(CCCC)C(=N)NN;DGCXSRVPDPJTIO-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351693;MM351693;C#CC(C)C(=O)C(C)C=C;PSUDTZUZVFZJPJ-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351694;MM351694;C=C(CCCN)C(=O)NC;KXXPFLOFQNODPS-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351695;MM351695;C#CC(O)C(=O)C(C)C#N;CLLMIDYEXZHRNT-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351696;MM351696;C=CC1(C(=C)CC=O)CN1;NWFYDPXVDOAKQQ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351697;MM351697;C#CC(O)C(=O)C(O)C#N;FZPJDNHWDYIIRI-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351698;MM351698;CN(C=O)C1CC(C=O)C1;FGHRNJSDTSRWFW-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351699;MM351699;C#CC(F)C(=O)C(O)C=C;IQSJGAZRHGQUSC-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351700;MM351700;C=C(CCCC)C(=O)NO;HKLVLWGHCHJEIK-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351701;MM351701;C#CC(F)C(=O)C(F)C#N;HSXFFGYHDXOXGM-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351702;MM351702;C=C(CCNC)C(=O)NC;KBICRAIAJJWWBN-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351703;MM351703;C#CC(C)C(=C)N(C)C=N;ZOILDJFDCQMBSG-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351704;MM351704;CCC12C=CC(O)CC1C2;HCRAFSUGXFFEPK-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351705;MM351705;C#CC(C)C(=C)N(C)C=O;GZQJFVPHWVPDQP-UHFFFAOYSA-N;137.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351706;MM351706;CC=CC1=CC2C(O)C2C1;NLFZAVVSMNWBQC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351707;MM351707;C#CC(F)C(=C)N(C)C=N;FQLNYYYQMWXKNW-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351708;MM351708;C=C(OC)C(=O)CCCF;JVLLGMCHEPRFGZ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351709;MM351709;C#CC(C)C(=C)N(N)C=O;PVMZCWHCFCUKDN-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351710;MM351710;CCCCC(=O)C(=O)OC;GJIQBFATAJWGCL-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351711;MM351711;C#CC(C)C(=C)N(O)C=O;QVJPTURXTVBZGH-UHFFFAOYSA-N;139.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351712;MM351712;C=C(OC)C(=O)CCNC;NUEDMIXNPSFVOS-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351713;MM351713;C#CC(C)C(=N)N(C)C=C;DYEHEBIXOMJIDA-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351714;MM351714;C=C(CC)C(=C)CNCC;BDRPUPQMRJSFCX-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351715;MM351715;C#CC(C)C(=N)N(C)C=O;WMIWSQYWQAQYSQ-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351716;MM351716;C=C(CNCC)C(=O)CO;RQBWFCONKDULTC-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351717;MM351717;C#CC(N)C(=N)N(C)C=C;FJFRZDDDQOLVHN-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351718;MM351718;C=C(CC)C(=C)COCC;DPIJIGTWLKFMJN-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351719;MM351719;C#CC(N)C(=N)N(C)C=N;CUXWBTVKOSZPAD-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351720;MM351720;C=C(CN)C(=C)COCC;LLWDPBJZBCXVBY-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351721;MM351721;C#CC(O)C(=N)N(C)C=C;VVBJKQBFXNRILX-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351722;MM351722;C=C(COCC)C(=O)CC;JDZVBBHFHZJGRX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351723;MM351723;CCC(C)=CC(C)CO;IYUGNJCYWJHKRY-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351724;MM351724;C=C(CC)C(=O)COCC;AFYZNQBYXLOILS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351725;MM351725;C#CC(C)C(=N)N(N)C=O;JSBJUTLPXSEJDF-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351726;MM351726;C=C(CO)C(=O)COCC;SFXWKSMCQXZCNV-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351727;MM351727;C#CC#CCCC(C)O;YGWGRBJYTCLTGF-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351728;MM351728;C=C(CF)C(=O)COCC;KYQKGTVQCSBDHN-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351729;MM351729;C#CC(C)C(=O)N(C)C=C;JCRYAWWQGWXKMD-UHFFFAOYSA-N;137.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351730;MM351730;CCOCC(=O)C(=O)CC;FDGYQLKRCQKKDL-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351731;MM351731;CCC#CCC(C)CO;WDAHGEQHVLZTHG-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351732;MM351732;CCOCC(=O)C(=O)CO;ZFNQBCQPIVTAGM-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351733;MM351733;C#CC(O)C(=O)N(C)C=C;PYNDFXKXIFQQSC-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351734;MM351734;CCOCC(=O)C(=O)CF;BYXZBCTWRBPCLU-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351735;MM351735;C#CC(O)C(=O)N(C)C=O;DSSGRYIEHLORHI-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351736;MM351736;C=C(OC)C(=O)COCC;IQCMIFYOXWGJLN-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351737;MM351737;C#CC(F)C(=O)N(C)C=O;FYBJXKXJQCNVJB-UHFFFAOYSA-N;143.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351738;MM351738;CCOCC(=O)C(=O)OC;PSIYLXYDMJXJQY-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351739;MM351739;C#CC(C)C(=O)N(N)C=C;UHHHVZKJDGMROR-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351740;MM351740;C=C(CC)C(=N)NCCF;RTLVUCPUPUIHRN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351741;MM351741;C#CC(C)C(=O)N(N)C=N;OGEBDCOPNZQHIL-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351742;MM351742;C=C(CO)C(=N)NCCF;PBLFBYSGVGEHBQ-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351743;MM351743;C#CC(C)C(=O)N(N)C=O;HGHMOBNZOSSBJD-UHFFFAOYSA-N;140.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351744;MM351744;C=C(CF)C(=N)NCCC;QDLKSLPKXWXGAZ-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351745;MM351745;C#CC(C)C(=O)N(C)N=C;DFQNLGHCWHQJGC-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351746;MM351746;C=CC(CO)C1CC1C#N;BGHOKVNMOWUJLB-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351747;MM351747;C#CC(C)C(=C)C(C)C#C;GBBRDUAWAHCMCG-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351748;MM351748;C#CC(C)C1C(C)C1CO;AJSJDZRMROBACB-UHFFFAOYSA-N;138.21;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351749;MM351749;C#CC(C)C(=C)C(N)C#C;NUDQSCOIBZEUMP-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351750;MM351750;C=C(CC)C(=O)NCCN;VZYLJGSLJQWEOG-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351751;MM351751;C#CC(F)C(=O)C(F)C#C;QJDQNAXDTNJBMF-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351752;MM351752;C=C(CN)C(=O)NCCC;RJWQDNIGFAFKQM-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351753;MM351753;C=C(CC)C(=C)C(C)CC;GTRLQOCVNUUVBQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351754;MM351754;C=C(CN)C(=O)NCCN;KJJWGHDMDCCODX-UHFFFAOYSA-N;143.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351755;MM351755;C=C(CN)C(=C)C(C)CC;NKZKIGVIXWFOFH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351756;MM351756;C=C(CN)C(=O)NCCO;MJTSWAKQSDDCMI-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351757;MM351757;C=C(CO)C(=C)C(C)CC;RRHVZCZSGUVYQK-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351758;MM351758;C=C(CO)C(=O)NCCN;BDHVXSSEWNMBQE-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351759;MM351759;C=C(CF)C(=C)C(C)CC;RJVLJCRRGOIKFN-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351760;MM351760;C=C(CO)C(=O)NCCO;BITBQHUDIRYLGX-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351761;MM351761;C=C(CN)C(=C)C(C)CN;BPOXMMYQNYTRCV-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351762;MM351762;CCCNC(=O)C(=O)CC;CWYLSSGDLIOHEU-UHFFFAOYSA-N;143.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351763;MM351763;C=NNC(C#CC)C=O;JLKKXASKRZBCLZ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351764;MM351764;CCC(=O)C(=O)NCCF;WUOFGDYWAGYQRI-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351765;MM351765;C=C(CC)C(=C)C(C)CF;JVZMTJDZFDWPDL-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351766;MM351766;O=C(CO)C(=O)NCCO;IRJVKBPNQXAQFZ-UHFFFAOYSA-N;147.13;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351767;MM351767;C=C(CN)C(=C)C(C)CF;UCYILRMWIJTKAQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351768;MM351768;CNC(=N)C(=N)NCCN;QSEOJGTZXYQUHQ-UHFFFAOYSA-N;143.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351769;MM351769;C=C(C(=O)CC)C(C)CC;HFSCLVRJQMSMQV-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351770;MM351770;CNC(=N)C(=N)NCCO;DNZADGYCVWCYBE-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351771;MM351771;C=C(C(=O)CC)C(C)CO;JUMSRBSJWCRIEE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351772;MM351772;N=C(NN)C(=N)NCCO;AVYLBXLFINJLCI-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351773;MM351773;C=C(C(=O)CC)C(C)CF;AEXXCQNJRRIDSR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351774;MM351774;N=C(NO)C(=N)NCCN;UINOKLCLXPZGPZ-UHFFFAOYSA-N;145.17;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351775;MM351775;C=C(CC)C(=C)C(N)CC;IOKKRJIOLOXKGV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351776;MM351776;N=C(NO)C(=N)NCCO;RGOAAUYEAMKFSQ-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351777;MM351777;C=C(CN)C(=C)C(N)CN;DILRZPWVNHNITF-UHFFFAOYSA-N;141.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351778;MM351778;C=C(C)CC(C)CO;ZYKOKYNWPPTFDF-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351779;MM351779;C=C(CO)C(=C)C(N)CN;ZVVIZAIBMXYOJQ-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351780;MM351780;C#CC1(CO)CCC1;RKUKUUQHJJUXJE-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351781;MM351781;C=C(CO)C(=C)C(N)CO;WEJGDDVEQUDUGJ-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351782;MM351782;C=Cc1ncc(N)o1;SLXGTCZXBDNPET-UHFFFAOYSA-N;110.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351783;MM351783;C=C(CF)C(=C)C(N)CO;PLBASTKJSJDGDO-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351784;MM351784;NC(=NCCO)C(=O)NO;QBAFTXCVXHKXSD-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351785;MM351785;C=C(CC)C(=C)C(N)CF;QDBCXZMQZOVSRE-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351786;MM351786;O=C(C1CN1)C1CO1;LBGGALBRVKZXQB-UHFFFAOYSA-N;113.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351787;MM351787;Nc1nc(N)n(N)c1F;NIHMGSSGEYVDIC-UHFFFAOYSA-N;131.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351788;MM351788;CC(C)C1(C)CC(O)C1;YONVLMSUSBDDMF-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351789;MM351789;C=C(CN)C(=C)C(O)CC;ZBKIEQVQOSGBOG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351790;MM351790;N=C(NO)C(=O)NCCN;QXKASRGOTJFACS-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351791;MM351791;C=C(CO)C(=C)C(O)CC;RRDRMOBCWFCHKB-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351792;MM351792;NC(=NO)C(=O)NCCO;FLOGJFLBTCBSKF-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351793;MM351793;C=C(CF)C(=C)C(O)CC;VHLIXBBTNUOYQN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351794;MM351794;CNC(=O)C(=O)NCCN;DJMHZOSPYIYTEL-UHFFFAOYSA-N;145.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351795;MM351795;C=C(CO)C(=C)C(O)CN;YAVQDLYUTGLGIL-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351796;MM351796;CNC(=O)C(=O)NCCO;DWCQNHSNCZAZAT-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351797;MM351797;C=C(CF)C(=C)C(O)CN;SWGWBMREGLTAQL-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351798;MM351798;NNC(=O)C(=O)NCCO;IPLOEMRLHVVSDN-UHFFFAOYSA-N;147.13;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351799;MM351799;C=C(CC)C(=C)C(O)CO;VDAFOKSODQQQNA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351800;MM351800;C=C(OC)C(=N)NCCN;IZRISDMHAXWGQD-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351801;MM351801;C=C(CO)C(=C)C(O)CO;UUXBHIZWRNWNDE-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351802;MM351802;CCCN=C(N)C(=O)OC;SWZWLVXYHAEPBH-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351803;MM351803;C=C(CF)C(=C)C(O)CF;QVGMKIJASZSMDX-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351804;MM351804;C=C(CC)CC(C)CO;BAJDWSWWUQDPQW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351805;MM351805;C=C(CO)C(=C)C(F)CC;NSJFKYFBANTMJK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351806;MM351806;C=C(OC)C(=O)NCCO;WZQFZWHICZWPKL-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351807;MM351807;C=C(CN)C(=C)C(F)CO;CVGWUTSZKWATMW-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351808;MM351808;COC(=O)C(=O)NCCN;ADXDHXLNBLIMQN-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351809;MM351809;C=C(CC)C(=O)C(C)CC;DNWMEZXELWXYGP-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351810;MM351810;COC(=O)C(=O)NCCO;CVPGDWDYNMSLDZ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351811;MM351811;C=C(CC)C(=O)C(C)CO;QOXOWFVTBCWBDX-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351812;MM351812;CC=C(C)CC(C)CO;RSIVBRRUWSICQV-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351813;MM351813;C=C(CC)C(=O)C(C)CF;NLAMNRNMDCKSDI-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351814;MM351814;C=C(CN)C(=O)NNCC;IBJISVGNTNVCIH-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351815;MM351815;CCC(C)C(=O)C(=O)CO;DAXPZMUMIZRMKI-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351816;MM351816;C#CC(C)=CCC(C)O;UJFJDNMATGKLHI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351817;MM351817;C=C(CC)C(=O)C(O)CC;OVZJZKRFRVMCDK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351818;MM351818;C=C(CC)C(=N)NOCC;VCXFIZROWWFSTO-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351819;MM351819;C=C(CO)C(=O)C(O)CC;YSEAKBGNKDZEFT-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351820;MM351820;C=C(CO)C(=N)NOCC;ZPGJEGXDPSUJRF-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351821;MM351821;CCC(O)C(=O)C(=O)CO;AJVRVMOSMHZRLJ-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351822;MM351822;C=C(CO)C(=O)NOCC;XZXKNOKYHJCUMT-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351823;MM351823;CCC(=O)C(=O)C(O)CO;XGKRNEMNIWHDPL-UHFFFAOYSA-N;146.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351824;MM351824;CCON=C(N)C(=O)NN;HLZPVVRHKCFVFD-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351825;MM351825;O=C(CF)C(=O)C(O)CO;VNPCTMYOCBAULT-UHFFFAOYSA-N;150.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351826;MM351826;CCONC(=O)C(=N)NO;IPVQSUMPPIWVON-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351827;MM351827;O=C(CO)C(=O)C(O)CF;ONHARWKIBXXGPT-UHFFFAOYSA-N;150.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351828;MM351828;C=C(OC)C(=N)NOCC;UOZJSJHVSZXENK-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351829;MM351829;C=C(CF)C(=O)C(F)CO;LMAMVGWOSDBFMO-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351830;MM351830;CC1(CO)CC(C#N)C1;APDHCTTVSDMXTB-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351831;MM351831;O=C(CF)C(=O)C(F)CO;QTLNOZBYGBUXNW-UHFFFAOYSA-N;152.1;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351832;MM351832;C=C(CC)C(=C)OCCC;XABHWOFCUCQCTD-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351833;MM351833;C=C(C(=N)NN)C(C)CF;RLCDQPJKCQRBSN-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351834;MM351834;C=C(CO)C(=C)OCCO;RWTQEQMGCSMJCU-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351835;MM351835;CC(C)C(C)C1CC1O;DZWZHEVTTPOKLC-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351836;MM351836;C=C(CO)C(=C)OCCF;PORINJHWXDNTMS-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351837;MM351837;C=C(C(=O)NO)C(C)CC;BZBIEBHUUSAKDN-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351838;MM351838;C=C(OCCC)C(=O)CC;RQRZEARJDQUUHI-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351839;MM351839;C=C(C)C(=C)C1CC1O;ACCJLOHDBMFINP-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351840;MM351840;C=C(OCCO)C(=O)CC;IYTIASBJRUTCDO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351841;MM351841;C=C(C(=O)NO)C(C)CF;UFZNYSGRCIQBBQ-UHFFFAOYSA-N;147.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351842;MM351842;C=C(OCCF)C(=O)CO;SPLMWHHOLBSYEM-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351843;MM351843;C=C(C(=N)NC)C(N)CO;KJBDQEIKYASUMY-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351844;MM351844;C=C(CN)C(=O)OCCN;QEMRXTKJDFYMEN-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351845;MM351845;C=C(C(=N)NC)C(O)CN;YLTPTCYUQTVQOS-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351846;MM351846;C=C(CN)C(=O)OCCO;YESCACJJINKBSS-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351847;MM351847;C=C(C(=N)NC)C(O)CO;CHDNSVAQNIZAGV-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351848;MM351848;C=C(CO)C(=O)OCCC;GQHNKWZNJBZCMN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351849;MM351849;C=C(C(=N)NN)C(O)CO;VQPAOYSIUSEPJM-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351850;MM351850;C=C(CO)C(=O)OCCO;RHPMIASJJBEVOR-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351851;MM351851;C=C(C(=N)NO)C(O)CO;VNAAOLHKPNUJRS-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351852;MM351852;C=C(CO)C(=O)OCCF;XJDFGFIMQBKDLF-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351853;MM351853;C=C(C(=O)NO)C(O)CN;ZJQFUDBEJQPQOO-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351854;MM351854;C=C(CF)C(=O)OCCC;RXVYAUIBBWZCFU-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351855;MM351855;C=C(C(=O)NO)C(O)CO;ABQTYJBDUMCKPM-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351856;MM351856;CCCOC(=O)C(=O)CC;FXJVJNRWFURQAQ-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351857;MM351857;C=C(C(=N)NC)C(F)CN;QDKDQCBIKGCIHU-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351858;MM351858;CCC(=O)C(=O)OCCO;ZCFKBLWJBRGUNV-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351859;MM351859;C=C(C(=N)NC)C(F)CO;WLASPZNKWYRZNO-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351860;MM351860;O=C(CO)C(=O)OCCO;FKSRABVZRHHKIG-UHFFFAOYSA-N;148.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351861;MM351861;CN1CC2(F)CC1C2=O;VGQXZEAFUILVDI-UHFFFAOYSA-N;129.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351862;MM351862;C=C(CN)C(=C)OCOC;QBOALDGUYFLPED-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351863;MM351863;CCc1c[nH]c(N)c1F;LBUFJRTUVNGTMI-UHFFFAOYSA-N;128.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351864;MM351864;C=C(CF)C(=C)OCOC;CXODZGDDYDJAHJ-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351865;MM351865;C=C(C(=O)NO)C(F)CO;IGLNQPPNCPLYNL-UHFFFAOYSA-N;149.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351866;MM351866;COCOC(=O)C(=O)CO;OCNKZROBAHLELH-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351867;MM351867;CCC(C)C(=O)C(=N)NC;HWURENXPLIMTQD-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351868;MM351868;COCOC(=O)C(=O)CF;OSTKBNLFFBYVKY-UHFFFAOYSA-N;150.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351869;MM351869;CCC(CC)C1CC1O;NFBSWMBYJZHNQL-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351870;MM351870;C=C(OCCC)C(=N)NC;WZITUOLFEAXAMF-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351871;MM351871;C=CC(=CC)C1CC1O;FWCDRSXOXWLKAM-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351872;MM351872;C=C(OCCN)C(=N)NC;RHZNGGBSAIVXKK-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351873;MM351873;C=C(OC)C(=C)C(C)CC;UWGAYCGTERVEPF-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351874;MM351874;C=C(OCCO)C(=N)NN;CLGOCBUEDZZIIH-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351875;MM351875;C=C(OC)C(=C)C(C)CO;DJCFSDQFYXBYRH-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351876;MM351876;C=C(OCCN)C(=N)NO;CRBFWLUWMCIQCU-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351877;MM351877;C=C(C(=O)OC)C(C)CO;SQYGULMFDBNDHS-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351878;MM351878;C=C(OCCO)C(=N)NO;VHWUXJHNKBFPKQ-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351879;MM351879;C=C(OC)C(=C)C(F)CC;VQCDTTXFWNMIIS-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351880;MM351880;C=C(OCCN)C(=O)NC;OLBFEPMEKGSNLJ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351881;MM351881;C=C(C(=O)OC)C(F)CN;ILMCDYCGOATTFO-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351882;MM351882;C=C(OCCO)C(=O)NC;QKFMVJLBZLFMGN-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351883;MM351883;C=C(C(=O)OC)C(F)CO;QFXBMOIKZPUWEV-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351884;MM351884;C=C(OCCO)C(=O)NO;YEWQYTSMGKKLQB-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351885;MM351885;C=C(OC)C(=O)C(O)CO;UVWZBQJJQIFLQC-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351886;MM351886;CCC1(CC)CC(O)C1;JSGDENWTMKJTJA-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351887;MM351887;COC(=O)C(=O)C(O)CF;YHJKOKHVZRSHJK-UHFFFAOYSA-N;150.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351888;MM351888;CN=C(N)C(=O)OCCF;AISNODBJJFILHO-UHFFFAOYSA-N;148.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351889;MM351889;C=C(CC)C(=C)C(C)NC;ZIGRIMQWTRGGAH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351890;MM351890;CNC(=O)C(=O)OCCN;GKEYXQPXUDEUDR-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351891;MM351891;C=C(C(=O)CC)C(C)NC;GEXFLDKVSQFMCT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351892;MM351892;CNC(=O)C(=O)OCCO;HBFLQQUZZHMMTF-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351893;MM351893;C=C(C(=O)CO)C(C)NC;KYRYEYMEBJCAFB-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351894;MM351894;NNC(=O)C(=O)OCCO;ULSLBJMEWLPTAV-UHFFFAOYSA-N;148.12;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351895;MM351895;C=C(CC)C(=O)C(C)NC;MDGASMYZLJYFSJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351896;MM351896;C=C(OCOC)C(=N)NC;LMCNINMKHBHWRH-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351897;MM351897;C=C(CC)C(=C)C(C)OC;JOESFUMNNIZNGY-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351898;MM351898;CC(O)CCC#CCF;VTKDCESMMUNZSS-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351899;MM351899;C=C(CO)C(=O)C(C)OC;PPBNSAMAGZKKPQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351900;MM351900;C=C(OCOC)C(=O)NO;WMMUTFQFHLIAFX-UHFFFAOYSA-N;147.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351901;MM351901;C=C(CF)C(=O)C(C)OC;AVOVXOZAGOFJQH-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351902;MM351902;COCOC(=O)C(=O)NN;GCAYRJDRBUYCNH-UHFFFAOYSA-N;148.12;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351903;MM351903;CCC(=O)C(=O)C(C)OC;ZAGGWWXXZQUHJU-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351904;MM351904;C=C(OC)C(=C)OCCN;CFHXMQRTCPGDFE-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351905;MM351905;COC(C)C(=O)C(=O)CF;IPFVGPBCNSZJQB-UHFFFAOYSA-N;148.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351906;MM351906;C=C(OC)C(=O)OCCN;OVINOSRQPOSIAN-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351907;MM351907;C=C(C(=N)NN)C(C)OC;KJDRJUVBWNDOSG-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351908;MM351908;COC(=O)C(=O)OCCO;NFQIUSHQNJHKDC-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351909;MM351909;C#CC(CO)C(=C)C=C;RLCMHQWQYGEZRS-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351910;MM351910;C=C(OC)C(=C)OCOC;PZZKOSUFAKZWTE-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351911;MM351911;C=C(CC)C(=C)CCC=O;VEYVZHNTZJTCAG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351912;MM351912;C=C(OC)C(=O)C(C)OC;MECLGSKDSBHWFB-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351913;MM351913;C=C(CC)C(=C)CCC#N;DAIUSNUMXOWYNI-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351914;MM351914;C=C(CF)C(=N)N(C)CC;COPIOULRIKHUFK-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351915;MM351915;C=C(CO)C(=C)CCC=O;MGHJQJDYMAYSTP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351916;MM351916;CCC(=O)C(=N)N(C)CC;OOHVVBYJANNNMB-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351917;MM351917;C=C(CF)C(=C)CCC#N;YHVNFGWYBMLYQT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351918;MM351918;C=C(CN)C(=N)N(O)CC;WWFJXALFMSUZPW-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351919;MM351919;C=CCCC(=C)C(=O)CF;IVFCCYAWUMEREJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351920;MM351920;C=C(CC)C(=O)N(C)CC;YDETXZUEOSDCNH-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351921;MM351921;C=CCCC(=O)C(=C)CC;UXWYVMYCDBHAHQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351922;MM351922;CCC(=O)C(=O)N(C)CC;ZYESPDVSAYSYNQ-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351923;MM351923;N#CCCC(=O)C(=O)CO;LTGBWCOIHSJLRN-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351924;MM351924;CCN(C)C(=O)C(=O)CO;GWPWIKHETVXQCQ-UHFFFAOYSA-N;145.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351925;MM351925;C=C(CCC=O)C(N)=NC;IGHRLNFSJKURSE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351926;MM351926;CCN(C)C(=N)C(=N)NC;FGEXSENFSLLAFI-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351927;MM351927;C#CCC1(O)CC1C#C;TZWOVYAFKCMWHJ-UHFFFAOYSA-N;120.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351928;MM351928;CCN(C)C(=N)C(=N)NO;INMOMYHZMKQDEQ-UHFFFAOYSA-N;144.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351929;MM351929;C=CCCC(=C)C(=O)NO;CYUORTFZUXRYNE-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351930;MM351930;N#CC1=CCC(CO)C1;ZZRZBDLEFNNYJS-UHFFFAOYSA-N;123.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351931;MM351931;C=C(CCC#N)C(=O)NO;HMLWDQRRGSRTNA-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351932;MM351932;CCN(C)C(=O)C(=O)NC;HDWFYUINZDNGNF-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351933;MM351933;CN(C=O)CCCC=O;JURMTGFRXWZAQT-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351934;MM351934;CCN(C)C(=O)C(=O)NN;YLNFOPVWULFRDA-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351935;MM351935;CNC(=O)C(=O)CCC=O;BDKOHIODNSAUDR-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351936;MM351936;C=C(OC)C(=N)N(N)CC;CDLYIGMJJUMFJK-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351937;MM351937;C=C(CCC=O)C(=C)OC;CEMWUXCTQBWNGZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351938;MM351938;C=C(CC)C(=C)CNC=N;MFLUQXPNOREZMW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351939;MM351939;C=C(OC)C(=O)N(C)CC;LOXCYXCMXWGICL-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351940;MM351940;C=C(CF)C(=C)CNC=N;RJMYJWLDRIJICA-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351941;MM351941;CCC(=O)C(=O)N(C)NC;WIDXAOLQFIWAHK-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351942;MM351942;C=C(CNC=O)C(=O)CO;ZGQJSKLXSLGJKS-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351943;MM351943;CNN(C)C(=N)C(=N)NN;BVYFNVLMUWUCQV-UHFFFAOYSA-N;144.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351944;MM351944;CCC(=O)C(=O)CN=CN;PXKKPLLCZREMOC-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351945;MM351945;N#CC(F)C1NC1C=O;FNPRXLOLMVPGBO-UHFFFAOYSA-N;128.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351946;MM351946;NC=NCC(=O)C(=O)CO;SFPNCZJAKHXZRA-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351947;MM351947;CNN(C)C(=O)C(=O)NN;IEWSIEOPPFFNOM-UHFFFAOYSA-N;146.15;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351948;MM351948;C=NNCC(=C)C(=C)CF;XGCOUDRIHZTMRM-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351949;MM351949;CNN(C)C(=N)C(=O)OC;YAYVDOUZZIOUNV-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351950;MM351950;C=C(CNC=N)C(=N)NC;BSGUCIZXAKZYLS-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351951;MM351951;CNN(C)C(=O)C(=O)OC;SLJNYRDVJAKAQA-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351952;MM351952;C=C(CNC=O)C(=N)NC;GAVUIRKIZIOTRV-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351953;MM351953;C=C(CN)C(=N)N(C)OC;MSRQVYZZQBSZLU-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351954;MM351954;C=C(CNC=N)C(=N)NO;JYUIJVQXIAQNAU-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351955;MM351955;C=C(CF)C(=N)N(C)OC;NOCRNBNEWGKAON-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351956;MM351956;C=C(CNC=O)C(=N)NO;WGDCRLAXKWQVQN-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351957;MM351957;C=CC(=C)C1CC1CO;HBSZFABCXHRIOL-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351958;MM351958;C=C(CN=CN)C(=O)NC;ZEFXCWDHWKBAAD-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351959;MM351959;C=C(CN)C(=O)N(C)OC;FOKDNYOGEJJRES-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351960;MM351960;NC(=NO)C(=O)CNC=O;HSJOPXYVCLLXQH-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351961;MM351961;C=C(CO)C(=O)N(C)OC;AIWKFCOOOMBCFX-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351962;MM351962;C=C(CNC=N)C(=C)OC;VBVOHUBMIMMSKQ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351963;MM351963;CCC(=O)C(=O)N(C)OC;JACFAYMZMOLFRS-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351964;MM351964;CCC=NOC(C)C=O;MZDDLCQVMPEBRN-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351965;MM351965;CNC(=N)C(=N)N(C)OC;BIYIZJDDMUHDIW-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351966;MM351966;C=C(OC)C(=O)CNC=O;FACMMIFAIIUCGK-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351967;MM351967;C=C(C=O)C1CC1CO;BVIOQGDLVZKMRV-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351968;MM351968;C=COCC(=C)C(=C)CN;RLBWAOPHPZWDFM-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351969;MM351969;CON(C)C(=N)C(=O)NO;QJKINGNOWUGPJV-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351970;MM351970;C=COCC(=C)C(=C)CO;XXNGLTUOLBXPGY-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351971;MM351971;C=NOC=NNC=NN;RJUFEXBIKURQBP-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351972;MM351972;C=COCC(=C)C(=C)CF;SCUIFKPFIDBZBA-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351973;MM351973;C#CC1CC(O)C1C#C;QCLXIHXVBWZJSU-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351974;MM351974;C=C(CO)C(=O)COC=O;YZYNOKXEQHZENH-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351975;MM351975;C=CC(=C)C(=C)C(C)CC;RMXABNLGCIPTRG-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351976;MM351976;C=COCC(=O)C(=O)CO;GJFAPZGEYRCEFW-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351977;MM351977;C=C(C#N)C(=C)C(C)CC;RJNFMDGQPVNOLE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351978;MM351978;C=COCC(=C)C(=N)NC;GKNJAJCBCSESLP-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351979;MM351979;C#CC1C(O)C1CC=C;PSEHKKDXAUNCDJ-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351980;MM351980;C=COCC(=C)C(=N)NN;BJNUWNLAXBBSJC-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351981;MM351981;C#CC(C#C)=CC(C)(C)O;IYNUPZLCEHYNKO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351982;MM351982;C#CC(F)C1NC1C=O;AYSXMCJGDVPPGD-UHFFFAOYSA-N;127.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351983;MM351983;C=NNC(C)(CC)CC=O;NLAKCNGCJDDALS-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351984;MM351984;C=CC(=O)C1NC1C=O;PRBLGLPJMSOPRR-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351985;MM351985;C=CC(=C)C(=C)C(C)CF;DWTZQROJLZFJIB-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351986;MM351986;C=CC(=O)C(=C)C(C)CC;RRKUKUYCZWEVNM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351987;MM351987;C=COCC(=O)C(N)=NO;ZXBXNXVWOZHXHP-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351988;MM351988;C=C(C(=O)C=O)C(C)CC;JZWRGLDOHRDWAI-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351989;MM351989;NC(=NO)C(=O)COC=O;XMBMZZQQBSEXAL-UHFFFAOYSA-N;146.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351990;MM351990;C=C(C(=O)C#N)C(C)CC;YPDSFCMIUAVOCT-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351991;MM351991;CCC1CC2C(O)C2C1;MJWDACWXXHZIDW-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351992;MM351992;C=CC(=O)C(=C)C(C)CO;LRLHBYLLKVJRTJ-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351993;MM351993;C=C(COC=O)C(=O)OC;SCICPQUEOUERBM-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351994;MM351994;C=CC(=O)C(=C)C(C)CF;CHGPNMSFMHIMFR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351995;MM351995;C=CCNC(=N)C(=C)CC;NSXHCHMEUYALQK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351996;MM351996;C=C(C(=O)C=O)C(C)CF;PWLYGOBUSQMWSN-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351997;MM351997;C=C(CC)C(=N)NCC#N;SGTLGHRRYHVBLW-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351998;MM351998;C=C(C(=O)C#N)C(C)CF;LZLFYUDFXFFCBB-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM351999;MM351999;C=CCNC(=N)C(=C)CN;QLFLPAMKYMWGGQ-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352000;MM352000;C=CC(=C)C(=C)C(N)CC;WSMDJPDWQNXCOW-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352001;MM352001;OCC1CC2C(O)C2C1;AXJGJRFGWMMNDF-UHFFFAOYSA-N;128.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352002;MM352002;C=CC(=C)C(=C)C(N)CN;LMAJMPKESJPUDV-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352003;MM352003;C=NN=CC(C)(C)CC=O;GKVIQJREBFAZHO-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352004;MM352004;N#CCN=C(N)C(=O)CO;JTQAHBZMSRPTSR-UHFFFAOYSA-N;141.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352005;MM352005;C=CC(=C)C(=C)C(N)CF;OWHYKKCGABFRDN-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352006;MM352006;C=C(CC(C)CO)C(C)C;PBVPYADKQRQUQP-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352007;MM352007;C=C(C=O)C(=C)C(O)CC;CSHZWYVPFMTMBM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352008;MM352008;CC(CC(C)CO)=C(F)F;NFHQAHUCJZMXEC-UHFFFAOYSA-N;150.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352009;MM352009;C=C(C#N)C(=C)C(O)CC;SXZKYZDNMOYACL-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352010;MM352010;C=C(CO)C(=O)NCC=O;XVWWNCCHHJQRGU-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352011;MM352011;C=CC(=O)C(=C)C(O)CC;UEUSSNXPDFSRAW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352012;MM352012;O=CCNC(=O)C(=O)CO;RAJOKWDSUPOLRA-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352013;MM352013;C=C(C(=O)C#N)C(O)CF;KTAKAYJSMWSKQX-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352014;MM352014;N#CCNC(=O)C(=O)CO;YWIOVHBRIDKOTF-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352015;MM352015;C=CC(=C)C(=C)C(F)CC;QEFXEJKLCUKJPE-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352016;MM352016;CN=C(N)C(=N)NCC=O;LDNNFIUQRYJIKF-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352017;MM352017;C=CC(=C)C(=C)C(F)CO;CNVUJJOJVRNFGZ-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352018;MM352018;C=C(CCC)CC(C)CO;FWIGADJSIXKZAS-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352019;MM352019;C=C(C#N)C(=C)C(F)CO;NFFBUOLAAPUSIC-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352020;MM352020;NC(=NCC=O)C(=O)NO;SQKPAIAOKCNTOZ-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352021;MM352021;C=CC(=O)C(=C)C(F)CC;HRMKXHVKZLKONL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352022;MM352022;N#CCN=C(N)C(=O)NO;HGNXUPKLDZETCG-UHFFFAOYSA-N;142.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352023;MM352023;C=C(C(=O)C=O)C(F)CC;XTTMABITSOONIV-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352024;MM352024;NC(=NO)C(=O)NCC=O;ACLLWPGUWBPRRU-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352025;MM352025;C=CC(=C)C(=O)C(C)CC;NNFMGMBZWAQACR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352026;MM352026;CNC(=O)C(=O)NCC=O;OLPPIRGUDZQJIE-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352027;MM352027;C=C(C#N)C(=O)C(C)CC;AOFWRLVFGGKWMB-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352028;MM352028;C=C(OC)C(=N)NCC=O;UCNFYWXDZOOUDQ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352029;MM352029;C=C(C#N)C(=O)C(C)CF;NBDOFRUIXYYDJD-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352030;MM352030;C=C(CCF)CC(C)CO;LTILWDSDFAOWDW-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352031;MM352031;C=C(CN)C(=N)NNC=N;WPFNXBQVRGVHRP-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352032;MM352032;C=CC(=O)C(=O)C(C)CC;CBPHCQQDIQIDQB-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352033;MM352033;C=C(CO)C(=N)NNC=N;FXESRMAPYHBSQZ-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352034;MM352034;C=CC(=O)C(=O)C(C)CF;NFASGALVZHZUKU-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352035;MM352035;C=C(CO)C(=N)NNC=O;VDYZPEZWIDCLHK-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352036;MM352036;C=CC(=C)C(=O)C(O)CC;LHURAUYUOWJFKB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352037;MM352037;C=C(CF)C(=N)NNC=N;LXUPHKXULWYMCQ-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352038;MM352038;C=C(C=O)C(=O)C(O)CC;VLVMQCGOPIJLMF-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352039;MM352039;N=CNNC(=N)C(=O)CF;OHPKBGCJYHFOAX-UHFFFAOYSA-N;146.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352040;MM352040;C=C(C=O)C(=O)C(O)CO;KHNMBOAOVTUBQK-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352041;MM352041;C=C(CC)C(=O)NN=CN;TVSPYDKIDVCLFL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352042;MM352042;C=C(C#N)C(=O)C(O)CO;YCERRSJTUUPBTA-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352043;MM352043;CCC(=O)C(=O)NNC=O;DGTFCFIYBXJLJH-UHFFFAOYSA-N;144.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352044;MM352044;C=CC(=O)C(=O)C(O)CO;LDRADECQIJIBCT-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352045;MM352045;O=CNNC(=O)C(=O)CF;VRQCDQVZUBFMDC-UHFFFAOYSA-N;148.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352046;MM352046;O=CC(=O)C(=O)C(O)CO;PCZHMFPIJDMZDK-UHFFFAOYSA-N;146.1;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352047;MM352047;CNC(=N)C(=N)NNC=N;ZJNWKZDOFZLTPM-UHFFFAOYSA-N;142.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352048;MM352048;C=CC(=C)C(=O)C(F)CC;ALYAPQYUNNXNSA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352049;MM352049;CNC(=N)C(=N)NNC=O;ZXAWGOIHTOKBIL-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352050;MM352050;C=C(C=O)C(=O)C(F)CO;FTILMHVAAIQRAV-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352051;MM352051;N=C(NN)C(=N)NNC=O;NEPJJPOYXIDPQC-UHFFFAOYSA-N;144.14;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352052;MM352052;C=CC(=O)C(=O)C(F)CO;NOLBOZOCRKNHRI-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352053;MM352053;C=C(COC)CC(C)CO;XYIIGVRXMHRQLM-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352054;MM352054;C=CC(=C)C(=C)C(C)NC;ZTASKJPAOMZJQP-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352055;MM352055;C=CCC(=C)CC(C)CO;CVLYEQSPQAUHKH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352056;MM352056;C=C(C=O)C(=C)C(C)NC;LHXPCPKDYSVNFL-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352057;MM352057;C=C(CC=O)CC(C)CO;VPWMLQQTRGHBPY-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352058;MM352058;C=C(C#N)C(=C)C(C)NC;MMKVRDUPPAVCCP-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352059;MM352059;NN=C(N)C(=O)NNC=O;WAQGUMGLNUINIX-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352060;MM352060;C=CC(=C)C(=C)C(C)OC;SOILUCJDRBKTOI-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352061;MM352061;N=CNNC(=O)C(N)=NO;FUAKSKXZZCPHSV-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352062;MM352062;NC(=NO)C(=O)NNC=O;FCMYCPTXPMGEIW-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352063;MM352063;C#CC(C)(CCO)CCO;YOAMKUGWOXQMGW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352064;MM352064;C=C(OC)C(=N)NNC=N;NHZCTQJBMWNASI-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352065;MM352065;C#CC(C)=CC(O)C(=C)C;OIHJHDONTISJQH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352066;MM352066;C=C(OC)C(=N)NNC=O;RALVTMKKPZYZQD-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352067;MM352067;C=C(C#N)C(=O)N(C)CC;QXXQXVHKEKPQMA-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352068;MM352068;COC(=O)C(=O)NNC=O;PAXWDQWEZHIIIB-UHFFFAOYSA-N;146.1;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352069;MM352069;CCN(C)C(=O)C(=O)C#N;KXFXIFAENGNNNM-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352070;MM352070;C=C(CC#N)CC(C)CO;BSCUIQCAWSWZPX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352071;MM352071;C=C(C=O)C(=O)N(O)CC;LQEFFDOSCFOGGK-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352072;MM352072;CCC(=O)C(=O)NOC=O;XQCZVGQWXNMTHQ-UHFFFAOYSA-N;145.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352073;MM352073;CNN(C)C(=N)C(=O)C#N;LURQMLGQEWSPQZ-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352074;MM352074;CNC(=N)C(=N)NOC=O;BVAFUZVVRLXXKU-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352075;MM352075;C=C(C#N)C(=O)N(C)NC;MRCXXXHBMKJFED-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352076;MM352076;N=C(NOC=O)C(=O)NN;YYDHLCHRIVLRIU-UHFFFAOYSA-N;146.11;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352077;MM352077;CNN(C)C(=O)C(=O)C#N;QBLGLOBNWJQVDQ-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352078;MM352078;NC(=NOC=O)C(=O)NO;ARXJCMJFZBNTOI-UHFFFAOYSA-N;147.09;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352079;MM352079;C=CC(=O)C(=N)N(C)OC;FXALENZAWLDQEC-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352080;MM352080;NN=C(N)C(=O)NOC=O;YPKHYCWOYUQZRG-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352081;MM352081;C=CC(=C)C(=O)N(C)OC;STVNZMNYLCFVQB-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352082;MM352082;NC(=NO)C(=O)NOC=O;FDNRVISKWVLRCI-UHFFFAOYSA-N;147.09;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352083;MM352083;CON(C)C(=O)C(=O)C=O;SIKKOTOFXGMSHR-UHFFFAOYSA-N;145.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352084;MM352084;C=CCOC(=C)C(=O)CC;OAIQWVQCHDLPOH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352085;MM352085;C#CC(=C)C(=C)C(C)CC;GHHXEBVOSDBRKL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352086;MM352086;C=C(OCC#N)C(=O)CC;SSGACPSGDSUBPC-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352087;MM352087;C#CC(=C)C(=C)C(C)CN;YGTWLLGELMSZMH-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352088;MM352088;C=CCOC(=C)C(=O)CO;ZCZUZFIEUMWZOZ-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352089;MM352089;CC(=CC(C)CO)C(C)C;PZPDAXJFJSZZTQ-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352090;MM352090;C=C(OCC=O)C(=O)CO;AAPVAYWZXHTPLP-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352091;MM352091;C#CC(=O)C(=C)C(C)CO;NINFDDQSTDPZPD-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352092;MM352092;C=C(OCC#N)C(=O)CO;KODWSOAJZXWGNQ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352093;MM352093;C#CC(=C)C(=C)C(N)CC;UCXYIEFYXYPVGO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352094;MM352094;C=CCOC(=C)C(=O)CF;NUGXTTNEUMFJLL-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352095;MM352095;C#CC(=C)C(=C)C(N)CF;STHDSJUPVUNGOP-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352096;MM352096;C=C(OCC#N)C(=O)CF;LNMVOWIYLBRTTI-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352097;MM352097;CC(=CC(C)CO)C(C)O;VFSRTLOFORIPGK-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352098;MM352098;C=CCOC(=O)C(=C)CN;PVOQWRDWUDEVBL-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352099;MM352099;C#CC(=O)C(=C)C(O)CO;DREMGBFZGUEELY-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352100;MM352100;C=C(CO)C(=O)OCC=O;KAIZSJPCSCBZRX-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352101;MM352101;C#CC(=O)C(=C)C(F)CO;WSGNWIORIRGENZ-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352102;MM352102;C=C(CO)C(=O)OCC#N;PFAWFFGEBMXUAB-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352103;MM352103;C#CC(=C)C(=O)C(C)CC;KGDDQDRYMUFFFW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352104;MM352104;C=CCOC(=O)C(=C)CF;PBRVALQSBFGIGU-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352105;MM352105;C#CC(=C)C(=O)C(O)CO;QRXPFQAMVOOMCH-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352106;MM352106;C=CCOC(=O)C(=O)CO;OFZHSDACKMKGNC-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352107;MM352107;C#CC(=C)C(=O)C(O)CF;CRFVNZJUILMPRY-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352108;MM352108;C=CCOC(=C)C(=N)NC;OUBIJZKSCYGFRI-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352109;MM352109;C#CC(=O)C(=O)C(O)CF;BVMVCDMCAMZIII-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352110;MM352110;C=C(OCC=O)C(N)=NC;KTLADMSBJJQWAR-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352111;MM352111;C=CCOC(=C)C(=N)NN;ZWWIPHKXQCKIIS-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352112;MM352112;C#CC(=C)C(=O)C(F)CO;VFUGTDPXWLTMOP-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352113;MM352113;C#CCC(=C)CC(C)CO;UQXMDLHCBFVNFF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352114;MM352114;C#CC(=C)C(=C)C(C)NC;YGTXMESEFGDTKT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352115;MM352115;C=C(OCC=O)C(=O)NC;OKZKZNAINIZAMB-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352116;MM352116;C#CC(=C)C(=C)C(C)OC;GRFKAHCZUHIBCC-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352117;MM352117;CCC=C(C)CC(C)CO;FOLNXQBVFLNTGT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352118;MM352118;C#CC(=C)C(=O)C(C)OC;MLHACBGICUZGHR-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352119;MM352119;C=CCOC(=C)C(=O)NO;DVJQRYUKCUJELW-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352120;MM352120;CC(=CC(C)CO)C(C)F;OOHRRVNOJITZPL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352121;MM352121;C=C(OCC=O)C(=O)NO;IYXZTTLEYLBPMA-UHFFFAOYSA-N;145.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352122;MM352122;C=CC(O)CC(=C)CC#N;QGJXOYVFCHMPMW-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352123;MM352123;C=C(OC)C(=C)OCC#N;WWJWYKQPOCFCNB-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352124;MM352124;C=CC(C)C(=C)C(=C)CC;YMVWRQOBRXHKFV-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352125;MM352125;CC(=CCF)CC(C)CO;FRKDMECZOUUONU-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352126;MM352126;CCC(=O)CC(C)=NOC;BOJGLKUTEUYSIR-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352127;MM352127;C=C(CC)C(=O)ONC=O;DXIAQDFLPBIZRM-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352128;MM352128;C=CC(C)C(=C)C(=C)CF;LKLHFRREASMORS-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352129;MM352129;C=C(CN)C(=O)ON=CN;ZBVFDBDMACDVBS-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352130;MM352130;C=C(CC)C(=C)C(C)C=O;DVCNPHQYYHDYCO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352131;MM352131;COC=C(C)CC(C)CO;FDOUYRQTORCDFF-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352132;MM352132;C=C(CC)C(=C)C(C)C#N;PFBROAGKOWAYGR-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352133;MM352133;C=C(CF)C(=O)ONC=O;OSANVXLVWQFLQI-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352134;MM352134;C=CC(N)C(=C)C(=C)CC;UPHPSZQVXRPWGN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352135;MM352135;CC(=CC=O)CC(C)CO;PCSFZEMAQAHHCH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352136;MM352136;C=CC(N)C(=C)C(=C)CF;HRWUMUSBDSGZDB-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352137;MM352137;CC(=CC#N)CC(C)CO;CHIQTHFPZHMPPB-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352138;MM352138;C=C(CC)C(=C)C(O)C#N;NPJPCUNGEDRHDR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352139;MM352139;C#CC=C(C)CC(C)CO;VRRTZDUZFBTYEQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352140;MM352140;C=C(C(=O)CO)C(O)C#N;BPDWLXDQGBRDMN-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352141;MM352141;NN=C(N)C(=O)ONC=O;UMWDVHNUIPVBQX-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352142;MM352142;CNC(=O)C(=O)ONC=O;OYZGUIWNDOVGMF-UHFFFAOYSA-N;146.1;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352143;MM352143;C=C(C(=O)CF)C(O)C=O;DPQDGWDLYPFKGK-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352144;MM352144;C#CCCC(=C)C(=C)CC;FKFCARMMEQJCDZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352145;MM352145;C=CC(F)C(=C)C(=C)CO;QBXZVMWTUYZOTI-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352146;MM352146;C#CCCC(=C)C(=C)CN;UGIAVOGEEVRXLY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352147;MM352147;C=C(CC)C(=C)C(F)C#N;GBDHBRXRXCQBPD-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352148;MM352148;C#CCCC(=C)C(=C)CO;SMSNNPSGAWRUCO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352149;MM352149;C=C(CO)C(=C)C(F)C#N;PVFPMTFMOZXEDF-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352150;MM352150;C#CCCC(=C)C(=O)CO;VRVWXSWXQKWSSU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352151;MM352151;C=CC(F)C(=C)C(=O)CF;SFRZLJBDVOXHFS-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352152;MM352152;C#CCCC(=O)C(=O)CO;GOGKIWWZSRKKPS-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352153;MM352153;C=C(C(=O)CC)C(F)C#N;PSCHICRNERSOIG-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352154;MM352154;C#CCCC(=O)C(=O)OC;VMUFMXJXAPTRPP-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352155;MM352155;C=C(C(=O)CO)C(F)C=O;MEZJQNQLPZXRMP-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352156;MM352156;C#CCNC(=N)C(=C)CO;DUZKMDRYKRUILY-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352157;MM352157;C=C(C(=O)CO)C(F)C#N;RQZWDHQIYSBJKA-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352158;MM352158;C#CCNC(=N)C(=C)CF;AFTHHYLZXBBICB-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352159;MM352159;C=CC(C)C(=O)C(=C)CC;PKCXVYMWAMWLBT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352160;MM352160;CC(C#N)=C(C)CC(C)O;LQVSXPHGLUFVKL-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352161;MM352161;C=C(CC)C(=O)C(C)C=O;RAHAYUKREXAZPR-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352162;MM352162;C#CC=C(C#C)CC(C)O;LDVRRCVZHRMFHU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352163;MM352163;C=C(CF)C(=O)C(C)C#N;BVLJAZCYZXFPDM-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352164;MM352164;C#CCC#CC(C)C(C)O;SGCWKCBXEHJRGB-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352165;MM352165;C=NN=CC(C)(F)C(=O)O;SNTZCXOMNNFZHF-UHFFFAOYSA-N;146.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352166;MM352166;C#CCNC(=O)C(=C)CO;BHJKJVMMPQBYDX-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352167;MM352167;C=CC(O)C(=O)C(=C)CC;XQIKTXYBTMESCE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352168;MM352168;C#CCNC(=O)C(=O)CC;POUAFIYNGFYXNU-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352169;MM352169;C#CCNC(=O)C(=O)CO;KIBKOIDTVHHKBB-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352170;MM352170;C=C(CF)C(=O)C(O)C=O;HWDOLPLICVLQDI-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352171;MM352171;C#CCNC(=N)C(=N)NC;RTNALCQRRPMPFS-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352172;MM352172;N=CN(O)C(=O)CC(=O)O;MHOUTBDVLMJHMU-UHFFFAOYSA-N;146.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352173;MM352173;C#CCNC(=N)C(=N)NN;IDLQDXXZPBYFDH-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352174;MM352174;C=CC(F)C(=O)C(=C)CF;VOHVNRAEICLXJW-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352175;MM352175;C#CCNC(=N)C(=N)NO;SJENRYRSHSDZTJ-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352176;MM352176;C=C(CC)C(=O)C(F)C#N;JIAFLQMCEMNZHO-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352177;MM352177;C#CC(C)(CO)CC#CC;VQJUJNUZPNBSIW-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352178;MM352178;C=CC(F)C(=O)C(=O)CC;GXWGWJBHVSMXGR-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352179;MM352179;CN1C(C=O)CC1(C)C#N;IQBLDZPQJCSPAI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352180;MM352180;C=CC(F)C(=O)C(=O)CF;FTYOTUMAAYMQBJ-UHFFFAOYSA-N;148.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352181;MM352181;C#CCN=C(N)C(=O)NO;XBXXLIVISACCDU-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352182;MM352182;C=CCc1n[nH]c(O)n1;XPYPRDJJFPNUBF-UHFFFAOYSA-N;125.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352183;MM352183;CC=C(CC)CC(C)CO;ZDRXBJYZLUWHLA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352184;MM352184;C=C(C(=N)NO)C(C)C#N;UEXAAHCHEIMYMY-UHFFFAOYSA-N;139.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352185;MM352185;C#CCNC(=O)C(N)=NO;FWFWMLCMPJLUSL-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352186;MM352186;CCCC(C)=CC(C)CO;DGWVQWXFLFEVDA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352187;MM352187;C#CCNC(=O)C(=O)NC;IHCXPQHUEZXJKQ-UHFFFAOYSA-N;140.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352188;MM352188;C=CC(C)C(=C)C(=O)NO;XBESEWVXCYPEJX-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352189;MM352189;C#CCNC(=O)C(=O)NN;XXEJRXSTGJUINQ-UHFFFAOYSA-N;141.13;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352190;MM352190;C=C(C(=N)NC)C(O)C#N;ZFJQAFYBQLCDSY-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352191;MM352191;C#CCNC(=N)C(=C)OC;GHPDZTZKHANWME-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352192;MM352192;C=C(C(=O)NC)C(O)C=O;YXLQXPLRQLIBDB-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352193;MM352193;C#CCNC(=O)C(=C)OC;HYWFXBLKSWRLNP-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352194;MM352194;C=CC(F)C(=C)C(=N)NC;LBZBJRBWHAJVKB-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352195;MM352195;C#CCOC(=C)C(=C)CC;CVXNUHGURYUBTO-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352196;MM352196;C=C(C(=O)NC)C(F)C=O;GHXSGRVSDRKWPL-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352197;MM352197;C#CCOC(=C)C(=O)CC;GXNNIGGBBPJDNU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352198;MM352198;CN=C(N)C(=O)C(C)C=O;YQEYYURCCQWJMO-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352199;MM352199;C#CCOC(=O)C(=C)CC;LDTWJGKHHKKGAE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352200;MM352200;COCC(C)=CC(C)CO;FKYVKRZSTXITPF-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352201;MM352201;C#CCOC(=O)C(=C)CF;AJIVZGDZBGHLDE-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352202;MM352202;C=CC(O)C(=O)C(N)=NO;KUTUFLPUCMQWTK-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352203;MM352203;C#CCOC(=O)C(=O)CO;DRLDKOSOTQLMLS-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352204;MM352204;CN=C(N)C(=O)C(O)C=O;DTLXJRWWLGXXDK-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352205;MM352205;C#CCOC(=C)C(=N)NC;BCXRMRQQWOBDQL-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352206;MM352206;C=CCC(C)=CC(C)CO;BNBGSVFJHGVKEA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352207;MM352207;C#CCOC(=C)C(=N)NO;CWFMNJQVIJECRI-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352208;MM352208;C=CC(O)C(=O)C(=O)NC;FLPCZKQSQBHMSQ-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352209;MM352209;CC(CO)CC(=CF)CF;UISQXAVXQXBQLO-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352210;MM352210;C=C(OC)C(=C)C(C)C#N;HPFYXCDULSYQMW-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352211;MM352211;C#CCOC(=C)C(=C)OC;FHVWHCYFIWAMNL-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352212;MM352212;C=CC(C)C(=C)C(=O)OC;KCZDCMZPECXYEZ-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352213;MM352213;C#CCOC(=O)C(=C)OC;UQDNWECJLWBRAC-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352214;MM352214;C=C(C(=O)OC)C(C)C#N;LMQAUHKOUKJTPI-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352215;MM352215;C#CCOC(=O)C(=O)OC;QALJIKBGJLLGAT-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352216;MM352216;C=CC(N)C(=C)C(=O)OC;LSRQSPMGTPWRTH-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352217;MM352217;C=CC(=C)C(=C)CCCC;QCFKPBJQAYKFMK-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352218;MM352218;C=C(OC)C(=O)C(C)C#N;WODWSVIZJAOBRQ-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352219;MM352219;C=CC(=C)C(=C)CCCN;KQQSCWNESPZAOB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352220;MM352220;C=C(OC)C(=O)C(O)C#N;ZSOMJPGIPWWYOA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352221;MM352221;C#CC(=CCC(C)O)CC;QISCJEAHYPUXBW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352222;MM352222;C=C(OC)C(=O)C(F)C=O;CNZLJMJYYLXJNV-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352223;MM352223;C=CC(=C)C(=C)CCCF;XDAADWQTHGCXOP-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352224;MM352224;C=C(OC)C(=O)C(F)C#N;ACTHENJGPQCYDK-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352225;MM352225;C=C(C=O)C(=C)CCCC;LZKPVXPQZRCVDK-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352226;MM352226;C=C(CC)C(=C)N(C)C=N;BYZGYVNTTPISLH-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352227;MM352227;CC(F)(C=O)C1NC1C=O;UZQOBEBMMHLWIG-UHFFFAOYSA-N;145.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352228;MM352228;C=C(CC)C(=C)N(C)C=O;SQAVATVNISYUCL-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352229;MM352229;C#CC(=C)C1(C)CC1CO;NYRIJJKYCZORQR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352230;MM352230;C=C(C(=O)CO)N(C)C=N;DEMCZUINBRPIQX-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352231;MM352231;C=C(C=O)C(=C)CCCF;FGBKZVFFKJNYIV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352232;MM352232;C=C(CC)C(=C)N(N)C=N;IVUPWJWQRXDINB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352233;MM352233;C=C(C#N)C(=C)CCCF;PBKPRHJAXQGTCW-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352234;MM352234;C=C(CC)C(=C)N(N)C=O;VYUMLFLATJYJSZ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352235;MM352235;C=CC(=O)C(=C)CCCC;RLCSQMBSWRZFOQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352236;MM352236;CC(=CC(C)CO)CC=O;QSTSODMNQLZXBP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352237;MM352237;C=CCC=NOC(C)C=O;BOBOXWPGJGZPIQ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352238;MM352238;C=C(CN)C(=C)N(O)C=N;PQBMROXOWNQNQT-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352239;MM352239;C=C(CCCC)C(=O)C=O;BPYIKMJAEYTDRD-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352240;MM352240;C=C(CN)C(=N)N(C)C=N;REDZBQTVHPIABA-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352241;MM352241;C=C(CCCC)C(=O)C#N;GWHREPJZTKQUBG-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352242;MM352242;C=C(CF)C(=N)N(C)C=N;LQYQFOVPHQPYGW-UHFFFAOYSA-N;143.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352243;MM352243;C=C(C#N)C(=O)CCCC;DRSLWJYZMWESKK-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352244;MM352244;C=C(CC)C(=N)N(C)C=O;MDCKEQWFHMLDKM-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352245;MM352245;C=C(C#N)C(=O)CCCO;DTFPFVADWRINMK-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352246;MM352246;C=C(CN)C(=N)N(C)C=O;XQJZQDBQTXJHMU-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352247;MM352247;C=C(C#N)C(=O)CCCF;ORBMJDXRQNJCGF-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352248;MM352248;C=CC(=C)C(=C)CCNC;GVRKHYOFPVQTCR-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352249;MM352249;CC(=CC(C)CO)CC#N;UZSBIWZDERTGEH-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352250;MM352250;C=C(C=O)C(=C)CCNC;PQSLDFUQFRMAOF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352251;MM352251;C=C(CF)C(=N)N(C)C=O;RGSOKIHFXWJPQY-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352252;MM352252;C=CC(=C)C(=O)CCNC;PLNQBQZKAQJPMX-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352253;MM352253;CCC(=O)C(=N)N(C)C=O;MTYHRBFTPYAWFU-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352254;MM352254;C=C(C=O)C(=C)CCOC;OFWVSPQYLMEZQI-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352255;MM352255;C=CN(N)C(=N)C(=C)CC;QGJABDMQKZKISB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352256;MM352256;C=CC(=O)C(=C)CCOC;AERIZTNNVHOWER-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352257;MM352257;C=C(CO)C(=N)N(N)C=N;MMPBMQOQXGOISI-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352258;MM352258;C=CC(=C)C(=C)CNCC;WIZXBJMZHVYOQF-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352259;MM352259;C#CCC(C)=CC(C)CO;NHKOESIPCPDLES-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352260;MM352260;C=C(C#N)C(=C)CNCC;QBYXQVNFALPWNN-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352261;MM352261;C=CN(C)C(=O)C(=C)CC;JVJXEPJTOKXGFB-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352262;MM352262;C=CC(=O)C(=C)CNCC;ZQZRQBZJKCHJKU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352263;MM352263;C=CN(C)C(=O)C(=C)CO;JKYBQKPDDNJNGE-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352264;MM352264;C=CC(=C)C(=O)CNCC;ARPANORGTWUMGE-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352265;MM352265;C=C(CC)C(=O)N(C)C=N;MZJFFNWFAPUSRL-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352266;MM352266;CCOCC(=O)C(=O)C=O;AXHIYMHNKUXXSY-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352267;MM352267;C=C(CN)C(=O)N(C)C=N;ZEJIFOIDQAIOBA-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352268;MM352268;C=C(C=O)C(N)=NCCC;IVZSWHMHVQOGBK-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352269;MM352269;CCC1(F)CC(=O)N(N)C1;RJECNQNHLSXOOO-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352270;MM352270;C=C(C=O)C(N)=NCCO;RCWMTEAFJJZMAN-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352271;MM352271;C=C(CN)C(=O)N(C)C=O;NTTOVVRJOFEPCR-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352272;MM352272;C=C(C#N)C(=N)NCCO;GCBNRVCQAWNPIP-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352273;MM352273;C=C(CO)C(=O)N(C)C=O;VLESZLXAFDOOMU-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352274;MM352274;C=C(C=O)C(=N)NCCF;KIYCSVVHCRURJD-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352275;MM352275;C=CN(C)C(=O)C(=O)CC;PZIXYQXJCPTDDP-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352276;MM352276;C=CC(=O)C(N)=NCCC;JJZPLRLNIIEREQ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352277;MM352277;CCC(=O)C(=O)N(C)C=O;GFAZIKPQTLKYCV-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352278;MM352278;C#CCC=NOC(C)C=O;QDGVZODFUBTRMJ-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352279;MM352279;CN(C=O)C(=O)C(=O)CO;DCDVDZOFGSBYJP-UHFFFAOYSA-N;145.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352280;MM352280;C=CC(=O)C(=N)NCCF;UZPCWDUBLBPFHN-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352281;MM352281;CC#CC#CCCC(C)O;NHYWVHCNJGMTCN-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352282;MM352282;C=CC(F)CC#CC=NN;HBQZDDOPALEYKR-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352283;MM352283;C=C(CF)C(=O)N(N)C=N;SRFYBRBBSTVRHO-UHFFFAOYSA-N;145.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352284;MM352284;C=C(C=O)C(=O)NCCO;JIULPWOWUPUHSX-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352285;MM352285;C=CCC(O)C=CCC#N;JRLFRKWIAAVSJU-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352286;MM352286;C=C(C#N)C(=O)NCCO;DHCQUKRQCHZSQV-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352287;MM352287;C=CN(O)C(=O)C(=C)CO;CTIMWOIJAMZAMJ-UHFFFAOYSA-N;143.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352288;MM352288;C=CC(=O)C(=O)NCCO;MJOCMQHHLGYVBH-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352289;MM352289;C=C(C(=N)NC)N(C)C=N;GCGKXOKGDGMDHW-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352290;MM352290;O=CC(=O)C(=O)NCCO;OACBSMRVKZFZCS-UHFFFAOYSA-N;145.11;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352291;MM352291;C=C(C(=N)NO)N(C)C=N;GCUYNMWJKGWFGO-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352292;MM352292;N#CC(=O)C(=O)NCCO;RZKRWVSGLNIYLL-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352293;MM352293;C=C(C(=N)NC)N(C)C=O;OHMOLWYWKYFNOM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352294;MM352294;C=CC(C=O)N(CC)N=C;STDHQNJLKHVNBD-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352295;MM352295;C=C(C(=O)NC)N(C)C=N;TUIYQWLUJSAHIG-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352296;MM352296;C=NNC=NN(C=O)CC;ZFSMIKXSEHBSCH-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352297;MM352297;C=C(C(=N)NN)N(N)C=N;XFFMKTGKFHBBHO-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352298;MM352298;CCNNC(=O)C(=O)C=O;CMFXLGGLGGBLHN-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352299;MM352299;C=C(C(=N)NO)N(N)C=N;IZBJABFWMOLBOH-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352300;MM352300;C=CC(=O)C(N)=NOCC;MWOFSJBCPCGJCE-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352301;MM352301;C=C(C(=N)NC)N(N)C=O;WZYFPBHNXGJTQI-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352302;MM352302;C=C(C=O)C(=C)OCCC;MTCDIGFFJWCUDV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352303;MM352303;C=C(C(=N)NN)N(N)C=O;NKIWGCYJHFBJBU-UHFFFAOYSA-N;143.15;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352304;MM352304;C=C(C#N)C(=C)OCCC;KZHBCRZQAAMPEC-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352305;MM352305;C=C(C(=N)NO)N(N)C=O;DIHGLSAEMLFMPP-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352306;MM352306;C=C(C#N)C(=C)OCCO;KLVSYOTVZMRDKU-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352307;MM352307;C=CN(C)C(=N)C(=N)NO;KKEXQWXEGBMKIX-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352308;MM352308;C=CC(=O)C(=C)OCCC;RJMOOCOHHSBHCD-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352309;MM352309;CNC(=N)C(=N)N(C)C=N;WSUBXLHBZAEODP-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352310;MM352310;C=CC(=O)C(=C)OCCO;DERCCALRZPBRKN-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352311;MM352311;CNC(=N)C(=N)N(C)C=O;LVMAPMIVKJAXOJ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352312;MM352312;C=CC(=C)C(=O)OCCC;UMWALQAVJCVSCU-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352313;MM352313;C=CN(C)C(=N)C(=O)NO;FVGSHFSSUPPMOY-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352314;MM352314;C=CC(=C)C(=O)OCCN;JKPLUUBHLNOEQQ-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352315;MM352315;C=CN(N)C(=N)C(=N)NN;IJZIMXGWPZIQOA-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352316;MM352316;C=C(C=O)C(=O)OCCC;ORQKDBSSODRTIV-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352317;MM352317;C=CN(N)C(=N)C(=O)NO;DQHJJEXTSAUMCX-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352318;MM352318;C=C(C=O)C(=O)OCCO;LVEURUPUYJOWQF-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352319;MM352319;CNN=CCC(=O)C(=N)N;ZYGMTDINRGPEIS-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352320;MM352320;C=CC(=O)C(=O)OCCC;NZHVCACODIXWEQ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352321;MM352321;C=CN(C)C(=O)C(N)=NC;RJRGXISJIPIPHH-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352322;MM352322;C=CC(=O)C(=O)OCCO;LRPZWZNVNFCXSA-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352323;MM352323;C=NNC1CC(=O)C(=O)C1;LOXXEJRIPVFNBN-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352324;MM352324;CCCOC(=O)C(=O)C=O;JIHDTAVZAKDMGZ-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352325;MM352325;C=C1C=C(C#CC)CC1O;XBXBETHRKUBPOI-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352326;MM352326;O=CC(=O)C(=O)OCCO;WRTIIVGWPMHPIZ-UHFFFAOYSA-N;146.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352327;MM352327;CN=C(N)C(=O)N(C)C=N;QFVFZOBXJSNJRY-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352328;MM352328;N#CC(=O)C(=O)OCCO;NTQUVZIHMUHFCX-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352329;MM352329;CCC(=CC(C)CO)CC;RDDSEKJYZLWLGZ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352330;MM352330;O=CC(=O)C(=O)OCCF;ZEDNQQYWYQAAHP-UHFFFAOYSA-N;148.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352331;MM352331;CCC(=CC(C)CO)CF;GFQRRSZWTVKQMJ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352332;MM352332;C=C(C#N)C(=C)OCOC;KUAIFPKFBRRSST-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352333;MM352333;CC(C=C(CF)CF)CO;WWDVXRRVNIDRAY-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352334;MM352334;C=C(C=O)C(=O)OCOC;MHPTWXMCXSOMBA-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352335;MM352335;C=CN(C)C(=O)C(=O)NC;ZXUDHIBPSYXPOV-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352336;MM352336;C=C(C#N)C(=O)OCOC;GSXKFICELAZKGH-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352337;MM352337;CN(C=N)C(=O)C(=O)NN;GZMNCNGUDIUMSE-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352338;MM352338;C=CCCC(=C)C(=C)C=C;OLGQKLDPYMXPBH-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352339;MM352339;CNC(=O)C(=O)N(C)C=O;DJMOMXAJBWVXTE-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352340;MM352340;C=CC(=C)C(=C)CCC=O;LKFPYHVWAAXEII-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352341;MM352341;CN(C=O)C(=O)C(=O)NN;GBQYKZQPHAQPSP-UHFFFAOYSA-N;145.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352342;MM352342;C=CC(=C)C(=C)CCC#N;VTGMTPHHZMDFBL-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352343;MM352343;C=CN(N)C(=O)C(N)=NC;LWGARPNKAXYXNY-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352344;MM352344;C=CCCC(=C)C(=C)C=O;ZCGNQWMVUGOZPF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352345;MM352345;CC(=CF)C(F)C(C)=NN;JUWYIXJZNJANKF-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352346;MM352346;C=CCCC(=C)C(=C)C#N;WOIDEHCVABPDKG-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352347;MM352347;C=C(C=O)C(=C)CCC#N;AFAFGRKNNVXTMR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352348;MM352348;C=NN(C)C(C)CCC=O;DFTPIFJLHSEZFV-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352349;MM352349;C=C(C#N)C(=C)CCC=O;DGHLXNQQFIDMRQ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352350;MM352350;C=CN(O)C(=O)C(N)=NO;LGNFZJKMWCMWBQ-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352351;MM352351;C=CCCC(=C)C(=O)C=C;XJHOLWRAIOHUEG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352352;MM352352;C=C(OC)C(=C)N(N)C=N;DTBBKTFGLMAPMY-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352353;MM352353;C=CC(=O)C(=C)CCC=O;YURUNSKNUZQJSS-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352354;MM352354;C=C(OC)C(=C)N(N)C=O;AZOHRPCIBLZRNJ-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352355;MM352355;C=C(CCC=O)C(=O)C#N;QSXSTQQYGHOCHC-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352356;MM352356;C=C(OC)C(=N)N(C)C=O;XJMKTDQTYHPTBP-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352357;MM352357;C=C(CCC#N)C(=O)C#N;HVCHRQVAKRLOJO-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352358;MM352358;C=CN(C)C(=N)C(=O)OC;ANMONIWDYIVCAI-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352359;MM352359;C=CC(=C)C(=O)CCC=O;MEGSHGDBIGKCKP-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352360;MM352360;COC(=O)C(=N)N(N)C=O;MSLLTVNWTGBZQI-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352361;MM352361;C=CCCC(=O)C(=C)C=O;BWPMPKZOMMXEJB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352362;MM352362;C=C(OC)C(=O)N(C)C=N;AORXKBQOFQNXJN-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352363;MM352363;C=CCCC(=O)C(=C)C#N;CBGRIIFSZAPRHS-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352364;MM352364;C=CN(N)C(=O)C(=C)OC;FMGZXNUEBXCUNK-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352365;MM352365;C=C(C=O)C(=O)CCC=O;HJZMGNTZPGLOQX-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352366;MM352366;C=NN(C)C(=O)C(=C)CN;CKCTWYIUKNGPJV-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352367;MM352367;C=C(C#N)C(=O)CCC=O;IFBJLYJNKPXTPT-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352368;MM352368;C=NN(C)C(=O)C(=O)CC;YVDLHJQENOFDRD-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352369;MM352369;C=CCCC(=O)C(=O)C=C;NJGOJGBBCXRNRL-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352370;MM352370;C#CCNC(=N)C(F)C#N;WHYKOZYZVBGGPY-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352371;MM352371;C=CC(=O)C(=O)CCC=O;BRMBLCJRZZKVFO-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352372;MM352372;C=CC(O)C(=C)C=CC=O;DLPJIUXYGVGPAV-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352373;MM352373;C=CCCC(=O)C(=O)C=O;TYWCEOKLJPOXRF-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352374;MM352374;C=CC(=C)C(=C)C(C)C=C;STFJGFPUFUAZOP-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352375;MM352375;O=CCCC(=O)C(=O)C=O;GLSSGXNNMIEKBR-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352376;MM352376;C=CC(C)C(=C)C(=C)C=O;LKQVHQYLFKFJLE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352377;MM352377;C=C(C#N)C(=C)CNC=N;KIEPIRBKAJUORO-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352378;MM352378;C=CC(C)C(=C)C(=C)C#N;LHOUQYXUVYXRJB-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352379;MM352379;C=C(C#N)C(=C)CNC=O;VZGMWUPWXCFXTH-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352380;MM352380;C=CC(=C)C(=C)C(C)C=O;VHISKFHAWLKWAF-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352381;MM352381;C=C(CNC=O)C(=O)C#N;IJEFGUWCBUIHKY-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352382;MM352382;C=CC(=C)C(=C)C(C)C#N;KEWHRHGMJFOMMB-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352383;MM352383;C=C(C#N)C(=O)CNC=O;LXFSNTDAXYLWGZ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352384;MM352384;C=CC(=O)C(=C)C(C)C=C;HQFJRQPFDGLZLH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352385;MM352385;C=CC(C=CC#CC)CO;XDNKWSKAMFAUOI-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352386;MM352386;C=CC(C)C(=C)C(=O)C#N;BVZBUPMHYDPTEH-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352387;MM352387;C=NNC(=N)C(C#N)=CN;PGPQRORQKCEZMP-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352388;MM352388;C=CC(=O)C(=C)C(C)C=O;ZUVQQBDOZNSYDS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352389;MM352389;C=C(COC=O)C(=O)C#N;MISQSJZRBFSLOU-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352390;MM352390;C=C(C(=O)C=O)C(C)C=O;ACGDHDVQEZDEMR-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352391;MM352391;N#CC(=O)C(=O)COC=O;QJTGBTRSVKOFOW-UHFFFAOYSA-N;141.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352392;MM352392;C=CC(=C)C(=C)CON=C;ZGCMRHQLMNMXDY-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352393;MM352393;C=C(C(=O)C#N)C(C)C#N;PKGBXNUWIFXZOA-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352394;MM352394;C#CC1(C=C)CN1CC=O;OAKNHISOAUCSGY-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352395;MM352395;C=CC(O)C(=C)C(=C)C=O;VFRYWEYKUNTBPP-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352396;MM352396;C=CCNC(=N)C(=C)C=C;CPYOUIOVOLEGTR-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352397;MM352397;C=CC(O)C(=C)C(=C)C#N;SZEMQPPWDUMASD-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352398;MM352398;C=CC(=C)C(=N)NCC=O;PWORKEWVIFEOAL-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352399;MM352399;C=CC(=C)C(=C)C(O)C#N;UJFIFYGABQOTNV-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352400;MM352400;C=CCNC(=N)C(=C)C#N;OLCVUWZRLBSCAF-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352401;MM352401;C=C(C#N)C(=C)C(O)C#N;ALXIWSXNDOYWOZ-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352402;MM352402;C#CC(C=O)CC1CN1C;VTOBKCHFKAZMSG-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352403;MM352403;C=CC(=O)C(=C)C(O)C=C;MNASQELQKYSKSL-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352404;MM352404;C#CCC1OCC(=NN)O1;AFVKNSNPDXIWBJ-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352405;MM352405;C=C(C(=O)C=O)C(F)C#N;MZWAGMKUTCNWIW-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352406;MM352406;C#CC1=NNC(=CC#N)O1;UUYGBHUBSGGIFM-UHFFFAOYSA-N;133.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352407;MM352407;C=CC(C)C(=O)C(=C)C#N;ODPXAKGILMMBPC-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352408;MM352408;C#CCc1ccc(NC)[nH]1;NSXXMBSOFTXLAG-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352409;MM352409;C=CC(=C)C(=O)C(C)C=O;OPLMTBBIBVVULE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352410;MM352410;C=CC(=C)C(=O)NCC#N;KLBDLWAJNSYTNE-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352411;MM352411;C=C(C=O)C(=O)C(C)C=O;VAGDEFFIUNAEKM-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352412;MM352412;C=CCNC(=O)C(=C)C#N;FKPRZOBRRORXNM-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352413;MM352413;C=CC(C)C(=O)C(=O)C=O;UIIIMEOPBPACQV-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352414;MM352414;C=C(C=O)C(=O)NCC=O;BWSLXIYADTYZJQ-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352415;MM352415;Cn1[nH]c(=O)nnc1=NO;ZTFGXEAZXYJNKS-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352416;MM352416;C=C(C=O)C(=O)NCC#N;VOAWERBVJJOOEJ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352417;MM352417;C=CC(=C)C(=O)C(O)C=C;RXYRSKFTYMRWJY-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352418;MM352418;N#CC(=O)C(=O)NCC=O;ISQLJSWUCRYVRK-UHFFFAOYSA-N;140.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352419;MM352419;C=CC(F)C(=O)C(=C)C=O;JIJJKXAWHHFJBE-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352420;MM352420;C=C(C=O)C(=N)NNC=N;YCRNCUKCMSOBPH-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352421;MM352421;C=Nn1nnc(C)c1O;DOSBRVHMYIZGDM-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352422;MM352422;C=C(C#N)C(=N)NNC=N;OXOYJNPDBBDQCN-UHFFFAOYSA-N;137.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352423;MM352423;C=C(C=O)C(=O)C(F)C#N;CZXOLSDYKGUEFC-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352424;MM352424;C=CC(=O)C(=N)NNC=N;NYVDUHGSRJHWKP-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352425;MM352425;N#CC(=O)C(=N)NNC=O;GDUSWJNKOFEUNO-UHFFFAOYSA-N;140.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352426;MM352426;Cc1nc(=N)oc(=NO)[nH]1;XABHQLBQFZKMAS-UHFFFAOYSA-N;142.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352427;MM352427;C=C(C=O)C(=O)NNC=O;UPFABOANRFCUTQ-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352428;MM352428;N#CC(F)C(=O)C(=O)C=O;ALXAUDXHXVOGAJ-UHFFFAOYSA-N;143.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352429;MM352429;C=C(C#N)C(=O)NNC=O;QVOSNANSDANAGM-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352430;MM352430;C=CC(=C)C(=C)N(C)C=N;BVMIJMRBVBHJOT-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352431;MM352431;C=CC(=O)C(=O)NNC=N;XYLCJCARMOYJHL-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352432;MM352432;C=C(C#N)C(=C)N(C)C=N;AZPLZKJOYTYOSV-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352433;MM352433;C=CC(=O)C(=O)NNC=O;CPNYSFNGBQCOPZ-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352434;MM352434;C=CC(=C)C(=C)N(C)C=O;HYELCVVBWRUHFA-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352435;MM352435;N=CNNC(=O)C(=O)C=O;KDXGGYMQDAUDBO-UHFFFAOYSA-N;143.1;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352436;MM352436;C=CC(=O)C(=C)N(C)C=N;AGOMFJZANIQYEI-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352437;MM352437;N#CC(=O)C(=O)NNC=N;MEZZWIARSQZAGL-UHFFFAOYSA-N;140.1;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352438;MM352438;C=CC(=C)C(=C)N(O)C=O;YXMMRACFWYDJQG-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352439;MM352439;O=CNNC(=O)C(=O)C=O;WISCMEOMLXFTCI-UHFFFAOYSA-N;144.09;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352440;MM352440;CCCC#CCC(C)CO;SKTZCQQVWBJHSV-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352441;MM352441;C=C(C=O)C(=O)NOC=O;PTBYISJFSNQTDP-UHFFFAOYSA-N;143.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352442;MM352442;C=CC(=C)C(=N)N(C)C=C;OQBMXFAOWVRDJT-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352443;MM352443;O=CONC(=O)C(=O)C=O;FHBLDVMTUSNOSZ-UHFFFAOYSA-N;145.07;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352444;MM352444;C=C(C=O)C(=N)N(C)C=N;TXNBPRDXTOIXSQ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352445;MM352445;C=CCOC(=C)C(=C)C=C;YUAQOKWPMQYBDD-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352446;MM352446;C=CC(=C)C(=N)N(C)C=O;QTSMJYRDBRCKEV-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352447;MM352447;C=CCOC(=C)C(=O)C=C;OMDIGIANIXHJOR-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352448;MM352448;C=CC(=C)C(=N)N(O)C=C;RFQXEFKUXMTJMT-UHFFFAOYSA-N;138.17;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352449;MM352449;C=C(OCC=O)C(=O)C=O;HAXFANPMYTZTOY-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352450;MM352450;C=NOC(C=O)OCC#N;VPJHFEFMAKLJJO-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352451;MM352451;C=CCOC(=O)C(=C)C=C;FQNOGDCKZSTMNZ-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352452;MM352452;CC=NN=C(NN)C(F)F;RPPSWAOWVHGPDK-UHFFFAOYSA-N;150.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352453;MM352453;C=CCOC(=O)C(=C)C=O;NOSHDRMTUIVOJO-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352454;MM352454;C=CCOC(=O)C(=C)C#N;ITCZEZQMUWEPQP-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352455;MM352455;C=CN(C)C(=O)C(=O)C=O;LVTPLELKLJAKBG-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352456;MM352456;C=CC(=C)C(=O)ONC=O;WOZXPSNPBINXGW-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352457;MM352457;C=CC(=O)C(=O)N(C)C=O;FLIAMIMGXMODHB-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352458;MM352458;C#CCCC(=C)C(=C)C=C;ZWFWTYPTMXZFSP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352459;MM352459;C=CC(=C)C(=O)N(N)C=C;PLZSTDQNHBKUOT-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352460;MM352460;C#CCCC(=C)C(=C)C=O;MCJPIGARUBMLAV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352461;MM352461;C=CC(=C)C(=O)N(N)C=N;OKANDIABQDKKMA-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352462;MM352462;C#CCCC(=C)C(=C)C#N;QHKWQMKQVVDHJI-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352463;MM352463;C=CC(=C)C(=O)N(N)C=O;IMRPEEJKRCXRHI-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352464;MM352464;C#CCCC(=C)C(=O)C=C;VWRMTQOGWPHAPG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352465;MM352465;C=CC(=C)C(=O)N(O)C=C;NYEYHXPOVSFCBY-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352466;MM352466;C#CCCC(=C)C(=O)C=O;SGWSTUKFLZRBCH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352467;MM352467;C=NN(C)C(=N)C(=O)C=O;VYUGKESSBIPYCQ-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352468;MM352468;C#CCCC(=C)C(=O)C#N;AKUFHJBCZXOSCE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352469;MM352469;C#CC(=C)C(=C)C(C)C=C;NPTKTKNPLJEKIK-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352470;MM352470;C#CCNC(=N)C(=C)C=C;XUIBDYMABBNYSS-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352471;MM352471;C#CC(=O)C(=C)C(C)C=O;BLEXBXQKEVUVQP-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352472;MM352472;C#CCNC(=O)C(=C)C=C;OBZMEJYBVKAQLN-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352473;MM352473;C#CC(=O)C(=C)C(C)C#N;LZAMQTPHYOOBIK-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352474;MM352474;C#CCNC(=O)C(=O)C=O;AJKLAWXVHOBIJY-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352475;MM352475;C#CC(=C)C(=C)C(N)C=C;OKVJQQOPIAQVSS-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352476;MM352476;C#CCOC(=C)C(=C)C=O;JEXXLAAQVLHRAO-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352477;MM352477;C#CC(=C)C(=C)C(O)C#N;UJCKCYZWWFWGSZ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352478;MM352478;C#CCOC(=C)C(=O)C#N;DWXLTKKTCXUHRE-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352479;MM352479;C#CC(=C)C(=C)C(F)C=C;LKRVPINJTWPVMJ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352480;MM352480;C#CCOC(=O)C(=C)C#N;UVTYYXOSOUBFIW-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352481;MM352481;C#CC(=C)C(=C)C(F)C#N;CYJUHVVNVJAOAA-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352482;MM352482;C#CC(=C)C(=C)CCCC;VARHZNSPPNSRHG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352483;MM352483;C#CC(=C)C(=O)C(C)C#N;OKYVZXIVHISKJG-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352484;MM352484;C#CC(=O)C(=C)CCCC;HIMFCBQSTMHERK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352485;MM352485;C#CC(=C)C(=O)C(F)C=C;BXEMTZQUIKIZOX-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352486;MM352486;CC=Cc1ncc(NC)o1;PGNPICQWKOWUDB-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352487;MM352487;C#CC(C#C)NN=CC=O;VURBRABXLUXCIL-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352488;MM352488;C#CC(=O)C(=C)CCCF;SGLVKEQAVBWGLP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352489;MM352489;C#CC(=C)C(=O)N(N)C=C;AGIBJBJANFOBQK-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352490;MM352490;C#CC(=C)C(=O)CCCF;UEPIOCXENRDEQE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352491;MM352491;C#CC(=C)C(=O)N(N)C=O;VAERBQIJLWDTTL-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352492;MM352492;C#CC(=C)C(=C)CCNC;SXTCEKVKOQORBL-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352493;MM352493;C#CC(C)C(=C)C(=C)CC;VCCSNGYMBWHISY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352494;MM352494;C#CC(=C)C(=C)CNCC;CVERBYPVPRZRPC-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352495;MM352495;C#CC(C)C(=C)C(=C)CN;BMBQUTPIQUFUQE-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352496;MM352496;C#CC(=C)C(=N)NCCN;PJPUFDADXDEDBI-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352497;MM352497;C#CC(C)C(=C)C(=O)CC;IQPPVEYQXRQYHI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352498;MM352498;C#CC12C=CC(O)CC1C2;TUQGFXTZNANXKX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352499;MM352499;C#CC(N)C(=C)C(=C)CC;BIYMCWGXXCRVTN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352500;MM352500;C#CC(=C)C(=O)NCCC;KSLWZABHZVQADE-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352501;MM352501;C#CC(N)C(=C)C(=C)CN;AUNUIDNKICIWMG-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352502;MM352502;C#CC(=C)C(=O)NCCN;ABHQGONSVFAAAP-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352503;MM352503;C#CC(N)C(=C)C(=C)CF;IHGPQGNGEFEKQS-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352504;MM352504;C#CC(=C)C(=O)NCCO;DCSSVARKGJALEJ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352505;MM352505;C#CC(O)C(=C)C(=C)CC;YYMGFLJNFYPEEE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352506;MM352506;C#CC(=C)C(=O)NCCF;ABTQGWOPZCKMMH-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352507;MM352507;C#CC(O)C(=C)C(=C)CO;NBGAALJHKSBMEQ-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352508;MM352508;C#CC(=O)C(=O)NCCO;KSFSLGWVJWBZSU-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352509;MM352509;C#CC(F)C(=C)C(=C)CO;ACNNBMVENSNKQY-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352510;MM352510;C#CC(=C)C(=C)OCCC;BYLGEKFKVVVMNW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352511;MM352511;C#CC(F)C(=C)C(=O)CO;OHBFSADIYPRFHA-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352512;MM352512;C#CC(C)C(=O)C(=C)CO;FRZIDRVGVHSELE-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352513;MM352513;C#CC(=C)C(=O)OCCC;YOGZBUTVKLMVFP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352514;MM352514;C#CC(O)C(=O)C(=O)CO;LWCJIVXBZLTPSL-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352515;MM352515;C#CC(=C)C(=O)OCCN;ZLOOVYWQCWNMJD-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352516;MM352516;C#CC(O)C(=O)C(=O)CF;NOPSKTZLKKIXRC-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352517;MM352517;C#CC(=C)C(=C)OCOC;BZDSIFZWOOHYIZ-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352518;MM352518;C#CC(F)C(=O)C(=O)CC;FJXNJKAIIRINOE-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352519;MM352519;C#CC(=C)C(=O)OCOC;RCSQTJDWEKUXSX-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352520;MM352520;C#CC(C#N)N(C)CCC;VPNVGDWXJXUKHJ-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352521;MM352521;C#CC(=C)C(=C)CCC=O;VAXOGPFJWYWREI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352522;MM352522;C#CC(C)C(=C)C(=O)NO;NEUAMERFKDBCJQ-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352523;MM352523;C#CC(=C)C(=C)CCC#N;PRKZAHPWLIISNJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352524;MM352524;C#CC(N)C(=C)C(=N)NO;DCLWLYTXADLCAX-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352525;MM352525;C#CC(=O)C(=C)CCC=C;ZPDJYPJJVRAMPD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352526;MM352526;C#CC(O)C(=C)C(=N)NC;ADBQSEUICWNOKW-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352527;MM352527;C#CC(=O)C(=C)CCC=O;SPDVWVZHHRVTEY-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352528;MM352528;C#CC(O)C(=C)C(=O)NO;DJJBLMGAFSXEKQ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352529;MM352529;C#CC(=C)C(=O)CCC=C;XWIMEUPTHSLWKP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352530;MM352530;C#CC(F)C(=C)C(=N)NC;DMOCQXXIEWCPEE-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352531;MM352531;C#CC(=O)C(=O)CCC=O;TYQIUCZUTYDEOQ-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352532;MM352532;C#CC(F)C(=O)C(=C)OC;RQXKKSZKFIUSEM-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352533;MM352533;C#CC(=C)C(=C)CNC=N;HKZDXVHGTGSOAY-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352534;MM352534;C#CC(F)C(=O)C(=O)OC;VGUZWDXVEJWAAY-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352535;MM352535;C#CC(=O)C(=O)CNC=O;VWZAVTHAUGQKNT-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352536;MM352536;C#CC(C)C(=C)C(=C)C=C;KEHSWTHCDAZYSX-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352537;MM352537;CC1=C(C#N)CCC1CO;OKEYCRZCSLVLOT-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352538;MM352538;C#CC(C)C(=C)C(=O)C=C;ZFIPWRTUWIOYGY-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352539;MM352539;C#CC(=O)C(=O)NCC=O;AYQAFVQINGBDNT-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352540;MM352540;C#CC(C)C(=C)C(=O)C=O;SREHNBMAMRRVOK-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352541;MM352541;C#CC(=C)C(=N)NNC=N;OFXVYEAPUGNGFX-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352542;MM352542;C#CC(N)C(=C)C(=C)C=C;ILTOMDYWWLCPIE-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352543;MM352543;C#CC(=C)C(=N)NNC=O;YGRMOLPBCJYITR-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352544;MM352544;C#CC(O)C(=C)C(=C)C=C;WHTZHRNYLYMCPK-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352545;MM352545;C#CC(=O)C(=N)NNC=N;NXTIFFNLNDJQFB-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352546;MM352546;C#CC(O)C(=C)C(=C)C#N;TWIVVYWIVRDHIR-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352547;MM352547;C#CC(=C)C(=O)NNC=N;JWJHEKNBAXCHGH-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352548;MM352548;C#CC(F)C(=C)C(=O)C=O;RJZUIUBBRKAQFF-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352549;MM352549;C#CC(=C)C(=O)NNC=O;JCYXJTQHZOPXLV-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352550;MM352550;C#CC(C)C(=O)C(=O)C#N;AVVJTKAWHSFLTA-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352551;MM352551;C#CC(=C)C(=C)OCC=C;FAQPCLNDMAHLDJ-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352552;MM352552;C#CC(O)C(=O)C(=C)C#N;SRKKLICTXCGCMD-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352553;MM352553;C#CC(=C)C(=C)OCC#N;VMLIVRYHWROYLN-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352554;MM352554;C#CC(F)C(=O)C(=C)C=O;DOUDQROCPFHHOA-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352555;MM352555;C#CC(=C)C(=O)OCC=C;SDHULSKSWWWCMO-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352556;MM352556;C#CC(F)C(=O)C(=C)C#N;KOPGIXJVMMDSHY-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352557;MM352557;C#CC(F)C(=O)C(=O)C=C;FXTBIVSSLYEBMG-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352558;MM352558;C#CCCC(=C)C(=O)C#C;RWKMKVSLOPRFOC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352559;MM352559;C#CC(F)C(=O)C(=O)C=O;IURHURMSQLQINL-UHFFFAOYSA-N;142.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352560;MM352560;C#CCNC(=N)C(=C)C#C;LTWOAGGVMRZPHU-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352561;MM352561;C#CC(=C)C(=C)C(C)C#C;OYOGNMILMSTRDB-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352562;MM352562;C#CCOC(=C)C(=C)C#C;CZYZBHGOHUKVRT-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352563;MM352563;C#CC(=O)C(=C)C(C)C#C;HEDPQEQDVPJVTM-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352564;MM352564;C#CCOC(=O)C(=C)C#C;PYNMYTOECKBXJE-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352565;MM352565;C#CC(=C)C(=C)C(N)C#C;UUSGWIYNWHRPJC-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352566;MM352566;C#CCOC(=O)C(=O)C#C;YLKWFGWCMFQHKY-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352567;MM352567;C#CC(=C)C(=C)C(O)C#C;DYUHZHWQYCVHJC-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352568;MM352568;CC(CN)C(C)CC=CF;FWOPZLAFZQCCAK-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352569;MM352569;C#CC(=C)C(=C)C(F)C#C;VCPXAOLHLMVTCK-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352570;MM352570;CC(CF)C(C)CC=CF;ZOVLIHUUQPLCSO-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352571;MM352571;C#CC(=C)C(=O)C(F)C#C;ZWZSWSOTBCJXBR-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352572;MM352572;CCC(N)C(C)CC=CF;SUHRTWCHLNYYGD-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352573;MM352573;C=C(CC)C(=C)C(=C)CC;XTDFMOOIYKRTNH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352574;MM352574;CC=CCC(C)C(N)CN;HBONDCGORHJPRB-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352575;MM352575;C=C(CC)C(=C)C(=C)CN;AIUAIAIQRUNWIB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352576;MM352576;CC=CCC(C)C(N)CO;XDLJXIVWRGQDKU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352577;MM352577;CC=NN(C)C(C=O)CC;FMJPQQSLNBMSBX-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352578;MM352578;CC=CCC(C)C(N)CF;QSPVRHKABJTWLA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352579;MM352579;C=C(CC)C(=C)C(=C)CF;VKHMCASBWZBJRG-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352580;MM352580;C=CCC1CC2C(O)C2C1;YFVUPKHYOTYKRT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352581;MM352581;CC=C(CO)C(C)C=CF;DNFGGDIKDSNNBF-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352582;MM352582;CC=CCC(C)C(O)CN;LVFBNGGKXGZIHF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352583;MM352583;C=C(CC)C(=C)C(=O)CC;UKVHRRJMIPLJIH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352584;MM352584;CC=CCC(C)C(O)CO;PGUNGGWYBISCSW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352585;MM352585;C=C(CO)C(=C)C(=O)CC;YCJWUVFIZUEMHG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352586;MM352586;CC=CCC(C)C(F)CN;DAXRGEREYPNUJS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352587;MM352587;C=C(CO)C(=C)C(=O)CO;GHYHZBSVVPWNMS-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352588;MM352588;CC(CC=CF)C(F)CN;KRBPXQJHRBXCCH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352589;MM352589;C=C(CF)C(=C)C(=O)CC;YYKIFPNYJZOBNJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352590;MM352590;CC=CCC(N)C(C)CC;RGYKGRNFIMTMIR-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352591;MM352591;C=C(C(=O)CC)C(=O)CF;DHYSXRRJQSSLPN-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352592;MM352592;C=C(CC)C(=O)C(=C)CC;XZRPCNZFAJWRPP-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352593;MM352593;CCC(C)C(N)CC=CF;RYIQRBHIBHBXSQ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352594;MM352594;C=C(CC)C(=O)C(=C)CO;VBYFWLRGKWNKIE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352595;MM352595;CC=CCC(N)C(C)CN;QPMIVLGMHOEOMY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352596;MM352596;C=C(CO)C(=O)C(=C)CO;PYVQRRNCTNLAPZ-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352597;MM352597;CC=CCC(N)C(C)CF;QOYUWSUCAQECBI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352598;MM352598;CCC(=O)C(=O)C(=O)CF;XSOYEKDAWRTWFA-UHFFFAOYSA-N;146.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352599;MM352599;CC(CF)C(N)CC=CF;IBDCQHTZPOQCCS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352600;MM352600;O=C(CO)C(=O)C(=O)CF;HRDORCVBESJTQK-UHFFFAOYSA-N;148.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352601;MM352601;CC=CCC(N)C(N)CC;WKMOQRHQCTVIRP-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352602;MM352602;C=C(CC)C(=C)C(=N)NC;KNGORMVUVDWSNV-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352603;MM352603;CC=CCC(N)C(N)CN;XKZWFNKNHLRESL-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352604;MM352604;C=C(CC)C(=C)C(=N)NN;UKTIJGJFKKDGKR-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352605;MM352605;CC=CCC(N)C(N)CO;TXCRKRKDGMWKKW-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352606;MM352606;C=C(CN)C(=C)C(=N)NC;VKHOALSPKAYLLJ-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352607;MM352607;CC=CCC(N)C(N)CF;YASTXTOWWZBVGV-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352608;MM352608;C=C(CN)C(=C)C(=N)NO;AHECXNGEAPZVCN-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352609;MM352609;NC(CF)C(N)CC=CF;YTOAAXDURIACDI-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352610;MM352610;C=C(CF)C(=C)C(=N)NC;YCSPKWFYBHFTJX-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352611;MM352611;CC=CCC(N)C(O)CC;FLXPRLZIHBSUOE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352612;MM352612;CCC(CO)=C(C)C=CF;JUOFUAYDJPVEHY-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352613;MM352613;CC=CCC(N)C(O)CN;CRPQWJTWGGYEAN-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352614;MM352614;CC#CC1=CC2C(O)C2C1;YQJHQQYAXSISLJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352615;MM352615;CC=CCC(N)C(O)CO;ZLLOPSSHCIHZNC-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352616;MM352616;C=CC(C=O)C1CN1N=C;DBWUYFRSDOEPLV-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352617;MM352617;CC=CCC(N)C(F)CC;BLCNDDDGZRVCMT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352618;MM352618;C=CC(=CC)C1CC1CO;FOUPUFNWKOYKPC-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352619;MM352619;CCC(F)C(N)CC=CF;MMZRKQOZZOXYLT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352620;MM352620;C=C(C(=N)NC)C(=O)CC;WCNRQLDVROISAG-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352621;MM352621;NCC(F)C(N)CC=CF;OWIAEXMPEULJMR-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352622;MM352622;C=C(C(=O)CO)C(N)=NO;QPBVQPFOVWXDKP-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352623;MM352623;NC(CC=CF)C(F)CO;RMOYCMXAPAQRLV-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352624;MM352624;C=C(C(=O)CC)C(=O)NC;PLHGELLGOJODIE-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352625;MM352625;NC(CC=CF)C(F)CF;STQSISZFWJBWLN-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352626;MM352626;C=C(C(=O)CC)C(=O)NO;ZHZAICDRPRTFPC-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352627;MM352627;CCC(C=O)C1CN1CC;UUXQHHUHIPKUKC-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352628;MM352628;C=C(CO)C(=O)C(=O)NC;JEOZSYXONAXBAF-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352629;MM352629;CC(CF)C(O)CC=CF;AWQRURPFLLVIPN-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352630;MM352630;CC=C(C=O)C1CC1CO;UDFYLYSNHFUCTF-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352631;MM352631;CC=CCC(O)C(N)CN;YGRQRRIVFWXUTQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352632;MM352632;CC1C(C=O)C1N(C)C=O;KMJGWGWARISHKY-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352633;MM352633;CC=CCC(O)C(N)CO;IBIGQSOUDIHAQG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352634;MM352634;C#CC(C)(C)CCO;JTTOZPWKPVPIQY-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352635;MM352635;NC(CF)C(O)CC=CF;RQRLPLNAOVLKQZ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352636;MM352636;C=C(CN)C(=C)C(=C)OC;LSRJZAKENTTWCR-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352637;MM352637;NCC(F)C(O)CC=CF;KIECTIVOSOPEPF-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352638;MM352638;C=C(CO)C(=C)C(=C)OC;MGLVCHNSQOGAHR-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352639;MM352639;CC=CCC(F)C(C)CN;RWSHWNVDEAFWOX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352640;MM352640;C=C(OC)C(=C)C(=O)CC;BHKHYXMNFPUAPF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352641;MM352641;CC(CN)C(F)CC=CF;QQOZPXGSCQKTPR-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352642;MM352642;C=C(OC)C(=C)C(=O)CO;UDSMFDJTHAQFCG-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352643;MM352643;CC(CO)C(F)CC=CF;UUAWXHGFDTYLEW-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352644;MM352644;C=C(OC)C(=O)C(=O)CC;ZLHAPNSRUBGXHP-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352645;MM352645;CC(CF)C(F)CC=CF;SSNRYVUSDFSKJL-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352646;MM352646;C=C(OC)C(=O)C(=O)CO;AVRLXNYGPWVURQ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352647;MM352647;COC(=O)C(=O)C(=O)CO;WCLDXSSKIZUIEM-UHFFFAOYSA-N;146.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352648;MM352648;CC=CCC(F)C(N)CC;XSYISYJRMFTAGA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352649;MM352649;C=C(C(=N)NC)C(=N)NC;BQXFFCUGROIRQA-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352650;MM352650;CCC(N)C(F)CC=CF;YJAOGWHDGUVEFA-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352651;MM352651;C=C(C(=N)NC)C(=N)NN;VAQFPWVDLMVLID-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352652;MM352652;CC=CCC(F)C(N)CN;PPXZJDKUKGYLSE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352653;MM352653;C=C(C(=N)NC)C(=N)NO;PBWHSXQANDOVQR-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352654;MM352654;NCC(N)C(F)CC=CF;RIVCFDPDAOCVHT-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352655;MM352655;C=C(C(=N)NN)C(=N)NN;QTGJTRWTKAZGTI-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352656;MM352656;CC=CCC(F)C(O)CN;XIWQUOKOCWVRRD-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352657;MM352657;C=C(C(=N)NN)C(=N)NO;VFDBBWLHFPDTST-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352658;MM352658;NCC(O)C(F)CC=CF;LAKFKLDPJDPFTG-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352659;MM352659;C=C(C(=O)NN)C(N)=NC;RQQASKNOULSJIR-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352660;MM352660;CC=CCC(F)C(O)CO;BTZLNQIEEXCMCK-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352661;MM352661;C=C(C(=O)NO)C(N)=NC;KBMJHAPBUZAFBH-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352662;MM352662;CCC(F)C(F)CC=CF;HSGGSSVPWPAAPL-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352663;MM352663;C=CC(C=C)=CC(C)O;GBILYKMZVKKVAR-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352664;MM352664;NCC(F)C(F)CC=CF;SUPDGBJGZIUVKK-UHFFFAOYSA-N;153.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352665;MM352665;C#CC1CC1(C)CCO;JUVOOBJHGNMLTR-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352666;MM352666;CCC(C)C(C)CC=NN;WNHPCLAHLQHPHC-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352667;MM352667;C=C(OC)C(=C)C(=N)NC;PISBEEOWZDUINQ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352668;MM352668;N#CC(=CN)C1CC1C=O;HDAFSWAKEXJULO-UHFFFAOYSA-N;136.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352669;MM352669;CNc1cnc(OC)o1;YVZSDTYWIPONIN-UHFFFAOYSA-N;128.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352670;MM352670;CCC(N)C(C)CC=NO;JXUBROOEODEIAX-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352671;MM352671;C#CC(=O)C1NC1C=O;GRNOSKFKRVESEK-UHFFFAOYSA-N;123.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352672;MM352672;CC(CC=NO)C(N)CF;WJLJIMBHSMPJED-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352673;MM352673;C=C(OC)C(=O)C(=C)OC;VGUQOAIUMUOADS-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352674;MM352674;CCC(O)C(C)CC=NO;SDJOSZGMLBVZGR-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352675;MM352675;C=CC(=C)C(=C)C(=C)CC;DVFWNJKQKBFXFD-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352676;MM352676;C=CC(C=O)C1C(C)N1C;FADRXRFIKOLADE-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352677;MM352677;C=C(C=O)C(=C)C(=C)CC;SLDSJJLPVOQZCG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352678;MM352678;CCC(F)C(C)CC=NO;PLYPEUCSSBZXSB-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352679;MM352679;C=C(C#N)C(=C)C(=C)CC;XZQUCKJJSNUNEW-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352680;MM352680;CCC(C)C(N)CC=NO;KGKMKNAPPXKJEL-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352681;MM352681;C=CC(=C)C(=C)C(=C)CN;BGUOMTMDAKPANX-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352682;MM352682;NCC(N)C(O)CC=NO;SLLFQMZZNPFUAR-UHFFFAOYSA-N;147.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352683;MM352683;CC#CC#CCC(C)(C)O;SVKMHWZFVPOXDS-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352684;MM352684;O=CCC#CC(F)C1CN1;YRKQUGHCOFASOT-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352685;MM352685;CN1CC1(C)CC(=O)C#N;OCIUMKGXRYWIDI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352686;MM352686;CCC(C)C(F)CC=NO;UOVCEYWPZMQOOF-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352687;MM352687;C=C(C#N)C(=C)C(=C)CO;LIDKFRUWAPQDFD-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352688;MM352688;CC(CF)C(F)CC=NN;QHFATKKXJUMXJW-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352689;MM352689;C=CC(=C)C(=C)C(=C)CF;LROOHVAPVOLDNT-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352690;MM352690;CNC(C)C(C)CC=CF;VOUQKEMRTROONS-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352691;MM352691;C=C(C=O)C(=C)C(=C)CF;BSWZMRJUKIKHBJ-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352692;MM352692;CC=CCC(N)C(C)NC;RSIDYBUPDUVZTI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352693;MM352693;C=CC(=O)C(=C)C(=C)CC;DGFYQAXUKAOFNO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352694;MM352694;CC=CCC(F)C(C)NC;NMLQPKMNLJYVSD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352695;MM352695;C=C(CC)C(=C)C(=O)C#N;ODEGUGZBBCXIKP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352696;MM352696;CNC(C)C(F)CC=CF;YMARNISCURMCAN-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352697;MM352697;C=CC(=O)C(=C)C(=C)CO;UEBRSEMIFZEBGA-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352698;MM352698;CNC(C)C(C)CC=NN;RDVMDDSENJSYCD-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352699;MM352699;C=CC(=C)C(=C)C(=O)CC;VWQAULJPBRHDAB-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352700;MM352700;CNC(C)C(C)CC=NO;YMFHTGYXFBIKSJ-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352701;MM352701;C=C(C=O)C(=C)C(=O)CC;NJXZDIXSYVKOTJ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352702;MM352702;CNC(C)C(F)CC=NN;XXCKTGLKMBUOLK-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352703;MM352703;C=C(C#N)C(=C)C(=O)CC;MRXYBAKKRZNGLE-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352704;MM352704;CNC(C)C(F)CC=NO;FLHQPDPCJVBTDJ-UHFFFAOYSA-N;148.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352705;MM352705;C=CC(=O)C(=C)C(=O)CC;UBKPCWIHMDDEIH-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352706;MM352706;COC(C)C(N)CC=NO;BSGMJWINEHSPEQ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352707;MM352707;C=C(C(=O)C=O)C(=O)CC;HSYDDMLPRVXLHL-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352708;MM352708;C=C(CCC)C(C)O;JRBBQWCFMZIDIS-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352709;MM352709;C=C(C(=O)C#N)C(=O)CC;XSGMCXWNHLOIQX-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352710;MM352710;CCC(C)C(C)N=CNC;IUUOKFGTHDNJMS-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352711;MM352711;C=C(C#N)C(=O)C(=C)CC;FCXOUTOKVPYTJI-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352712;MM352712;C=CC(=C)C(=O)C(=C)CO;NIAZLAZFDKARGJ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352713;MM352713;CCC(C)C(C)N=CNN;HDGNKQVHGVDEPZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352714;MM352714;C=CC(=O)C(=O)C(=C)CC;GMPHDZYBFVOOPC-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352715;MM352715;CC(CN)C(C)N=CNO;OMEULEUEXUITDQ-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352716;MM352716;C=C(CC)C(=O)C(=O)C=O;MCHSEOGVSOVUDZ-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352717;MM352717;CC(CO)C(C)N=CNN;BCTUYUAXIXLEKW-UHFFFAOYSA-N;145.21;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352718;MM352718;C=CC(=O)C(=O)C(=C)CO;PDDGRCLICMZOSR-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352719;MM352719;CN=CNC(C)C(C)CF;BOXTUYYORKUYBU-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352720;MM352720;C=CC(=C)C(=O)C(=O)CC;ZWLZQKLBYOJNPG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352721;MM352721;CCC(N)C(C)N=CNO;VSYMWPAOKLQMCB-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352722;MM352722;C=C(C=O)C(=O)C(=O)CC;BUKDMRNWJRNRNS-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352723;MM352723;CCC(O)C(C)N=CNN;NDUCLIKXUKUIPJ-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352724;MM352724;C=C(C#N)C(=O)C(=O)CC;ZWMXJCNZQGZESV-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352725;MM352725;CCC(F)C(C)N=CNN;JCLDXWAAVCILOJ-UHFFFAOYSA-N;147.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352726;MM352726;C=CC(=C)C(=O)C(=O)CO;FZXOPKBWIMWGFO-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352727;MM352727;CNC(C)C(C)N=CNN;IBBJNNSEDGVERP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352728;MM352728;C=C(C#N)C(=O)C(=O)CO;HZZPCUKKRDQRJA-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352729;MM352729;CNC(C)C(C)N=CNO;XJIGMSKQONYVPW-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352730;MM352730;C=CC(=O)C(=O)C(=O)CC;FKVNVNAKAOPIHT-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352731;MM352731;CNC=NC(C)C(C)OC;AJQYGVPUCBHAHD-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352732;MM352732;CCC(=O)C(=O)C(=O)C=O;RGMUISDTMIPFQK-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352733;MM352733;CC=NNC(C)C(C)CC;HBXBZHPSZCHSNU-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352734;MM352734;C=CC(=C)C(=C)C(=N)NC;YCTFWZXFQOXWRF-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352735;MM352735;CC=NNC(C)C(C)CN;ZZYAGCHAYGLSHK-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352736;MM352736;C=CC(=C)C(=C)C(=N)NN;WNUVAPFJECFYPI-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352737;MM352737;CCC=C(C)C(C)O;ALSBKNSBCLYOOI-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352738;MM352738;C=C(C(=O)C#N)C(N)=NC;QDBMSKLAIRNYBS-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352739;MM352739;CC=NNC(C)C(N)CC;QHNKLPZZXRGNKP-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352740;MM352740;CCC(=O)CON=C(C)C;CISFDFYOCQEHNT-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352741;MM352741;CC=NOC(C)C=O;UIGFFSUYMLTWKQ-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352742;MM352742;C=C(C#N)C(=C)C(=O)NC;PXJHCHIOWFCZHO-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352743;MM352743;CC(C)(CC=O)CCO;TTYJJTGHMZSVBC-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352744;MM352744;C=C(C#N)C(=C)C(=O)NO;IDJKRGPJNVACLV-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352745;MM352745;CC=NNC(C)C(F)CC;CYBFWLDMSMKJIF-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352746;MM352746;C=CC(C=CC)=CC(C)O;GMBISGVFKGTOEP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352747;MM352747;CC=NNC(C)C(C)NC;DWKRILIYXKJQNT-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352748;MM352748;CN1C(CCC=O)C1(C)C;LGGLECJPSJOFNA-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352749;MM352749;CC=NNC(C)C(C)OC;ZRBDPUYBOSRAPU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352750;MM352750;CC(F)C(=N)NOCC=O;TUXRGQJTSZVHJG-UHFFFAOYSA-N;148.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352751;MM352751;CC=COC(C)C(C)CN;AZMUIBDAXVEHEO-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352752;MM352752;C=C(F)C(CC#N)=NOC;ZDYWULGHMMJKLO-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352753;MM352753;CC(CN)C(C)OC=CF;UYHJKAGISAOTLP-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352754;MM352754;C=CC(=C)C(=O)C(=O)NC;KTMBKIAUJRNCQL-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352755;MM352755;CC=COC(C)C(C)CF;OPPQFVGZOQSGLT-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352756;MM352756;C=CC(=C)C(=C)C(=O)OC;WWAPOAHOJKPDEN-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352757;MM352757;C=CC(=O)C(=O)C(=C)OC;RTOLLRDJRLKICC-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352758;MM352758;CC=COC(C)C(N)CN;IRXVERBWCUNLFR-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352759;MM352759;C=C(OC)C(=O)C(=O)C=O;UVNYXNUMAMDGKF-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352760;MM352760;CC=COC(C)C(N)CF;XVKSNZUBXVZOLX-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352761;MM352761;C=C(C#N)C(=O)C(=O)OC;KSJQCXJXRZIZIJ-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352762;MM352762;CCC(O)C(C)OC=CF;KCCAUCVELAFMCC-UHFFFAOYSA-N;148.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352763;MM352763;C=CC(=O)C(=O)C(=O)OC;JUPNSEUCRQUYFZ-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352764;MM352764;CC=COC(C)C(O)CO;TXRSXFCWDCIMKC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352765;MM352765;C#CC(=C)C(=C)C(=C)CC;DQIKVDQDWNUKEF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352766;MM352766;CC=COC(C)C(F)CN;YSLFLGXCIICVLL-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352767;MM352767;C#CC(=C)C(=C)C(=C)CN;CVERXRFEXMHFPT-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352768;MM352768;CC(OC=NO)C(N)CO;DQRIDMSLTGMLTG-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352769;MM352769;C#CC(=C)C(=C)C(=C)CO;PMOOWECRWFAZQW-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352770;MM352770;CC(OC=NO)C(N)CF;PFRKANAAGZDUEZ-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352771;MM352771;C#CC(=O)C(=C)C(=C)CC;LTEAHEUZALOCNI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352772;MM352772;CC(OC=NO)C(O)CN;RNLGEWQWDSXFAY-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352773;MM352773;C#CC(=C)C(=C)C(=O)CC;BDYJZQYZMVZILS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352774;MM352774;CC1(C)C=CC(CO)C1;KONPAVVMDZFLDA-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352775;MM352775;C#CC(=C)C(=C)C(=O)CO;LPIYWFZXWMADHS-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352776;MM352776;CC(OC=NO)C(O)CO;OROLAAWLXNXQJS-UHFFFAOYSA-N;149.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352777;MM352777;C#CC(=O)C(=C)C(=O)CO;DSEVBACHOHAMQO-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352778;MM352778;C=C(CCCC)C(C)O;ZNLJCXZCOVSRBB-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352779;MM352779;C#CC(=C)C(=O)C(=C)CC;LZWPNDXFCMDWAE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352780;MM352780;CC(OC=NO)C(O)CF;MOPGCAYEJZSQFZ-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352781;MM352781;C#CC(=C)C(=O)C(=O)CC;BWKXLMFOUIFMCA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352782;MM352782;CC=COC(C)C(C)NC;YDBIQSNEPMRBHO-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352783;MM352783;C#CC(=C)C(=O)C(=O)CF;SCNBOCDTUDBDNC-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352784;MM352784;CNC(C)C(C)OC=CF;ADRLWKJVFSAAKA-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352785;MM352785;C#CC(=C)C(=C)C(=N)NC;ZLJUKBADCHTLOO-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352786;MM352786;C=C(CCCF)C(C)O;PWQIZNPMYYZACR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352787;MM352787;C#CC(=C)C(=C)C(=N)NN;GKABICRKEMKVHW-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352788;MM352788;COC(C)C(C)OC=NO;MCHOUILQFKKTHL-UHFFFAOYSA-N;147.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352789;MM352789;C#CC(=C)C(=C)C(=N)NO;LEXRHLRXEITEHU-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352790;MM352790;CC=NOC(C)C(C)CC;JLJCXIZQSZUMQF-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352791;MM352791;C#CC(=C)C(=C)C(=C)OC;ACJLMQZPDHZKNS-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352792;MM352792;CC=NOC(C)C(C)CN;GCEALCDPCGMFGN-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352793;MM352793;C#CC(=C)C(=O)C(=C)OC;QYCMLGLRWFXJOW-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352794;MM352794;C#CC(=C)C(=O)C(=O)OC;HFMZPEJFHQMKEV-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352795;MM352795;CC=NOC(C)C(N)CN;ZRNQIZCZESELKM-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352796;MM352796;CC=NOC(C)C(N)CO;ARPNPGZEHFTTQF-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352797;MM352797;C=CC(=C)C(=C)C(=C)C=O;SQHQOBKXRWLWEN-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352798;MM352798;CCCC=C(C)C(C)O;ICFGAONAWDWYTE-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352799;MM352799;C=CC(=C)C(=C)C(=C)C#N;ZCJKXJAYLHQBFQ-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352800;MM352800;CC=NOC(C)C(O)CN;APZNMCQBXULTPK-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352801;MM352801;C=C(C=O)C(=C)C(=C)C=O;LWQFTVURWUZLTG-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352802;MM352802;CC(=CCCF)C(C)O;CWCMXNUJTNAQJS-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352803;MM352803;C=C(C#N)C(=C)C(=C)C=O;BEODUUWYJVNQHC-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352804;MM352804;CC=NOC(C)C(F)CN;RXHJIOOVMDQCPI-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352805;MM352805;C=C(C#N)C(=C)C(=C)C#N;KPMNRBGGRXBSIL-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352806;MM352806;C#CCC1(C)CC1CO;MQGWJXOZARZTKO-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352807;MM352807;C=CC(=C)C(=C)C(=O)C#N;YDYAEQSOQCZLPS-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352808;MM352808;CC=NOC(C)C(C)NC;VDWUTCRXLRIYKR-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352809;MM352809;C=CC(=O)C(=C)C(=C)C=O;ZCXVWTAKIBLBPI-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352810;MM352810;CC=NOC(C)C(C)OC;QEGAYDONIFJKFM-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352811;MM352811;C=CC(=O)C(=C)C(=C)C#N;BZHHYXLHNOTSIZ-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352812;MM352812;CCN(C)C(C)CC=NO;KOERSAJCPNUCET-UHFFFAOYSA-N;144.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352813;MM352813;C=C(C=O)C(=C)C(=O)C=O;SLCVCQGBRUIDII-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352814;MM352814;CC=CCN(C)C(C)CC;QPSYBTRNJJAFPO-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352815;MM352815;C=C(C#N)C(=C)C(=O)C=O;BQTTVCPIWBRINT-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352816;MM352816;CC(CN)N(C)CC=CF;XULQMVBVDMMKCS-UHFFFAOYSA-N;146.21;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352817;MM352817;C=C(C#N)C(=C)C(=O)C#N;WFWOWWNFEDVVFZ-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352818;MM352818;CC=CCN(C)C(C)CO;JMAZOHRZIVVRNV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352819;MM352819;C=CC(=O)C(=C)C(=O)C=O;NLZYDBZFVJXDMW-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352820;MM352820;C=CC(C)C(C)CC=CC;NIPOSGAHPQFLGC-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352821;MM352821;C=CC(=C)C(=O)C(=C)C=C;AFNQHESSMAYEOR-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352822;MM352822;CC(C=O)C(C)CC=CF;FMFUWCXOKIXBMZ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352823;MM352823;C=CC(=C)C(=O)C(=C)C=O;GNGWIFWBFFPWSZ-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352824;MM352824;C=CC(N)C(C)CC=CC;UZXBWGJMUBYPBS-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352825;MM352825;C=CC(=C)C(=O)C(=C)C#N;YTTVOKKFOGNSIO-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352826;MM352826;C=CC(N)C(C)CC=CF;GLPRWDDCENHHHI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352827;MM352827;C=C(C=O)C(=O)C(=C)C=O;LNFTWLAFOGMJFJ-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352828;MM352828;CC1=CC(CO)CC1C;MDIANJJWLDJRER-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352829;MM352829;C=C(C#N)C(=O)C(=C)C#N;JHGXHYQKQDNXRV-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352830;MM352830;CC=CCC(C)C(O)C=O;HPTZJRIXWNXONS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352831;MM352831;C=CC(=C)C(=O)C(=O)C=O;DPHAWQYOAXWHLI-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352832;MM352832;C=CC(F)C(C)CC=CC;ISUFUAPCTDNMSW-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352833;MM352833;C=CC(=O)C(=O)C(=C)C=O;RSTPYFKQTXKKAU-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352834;MM352834;C=CC(C)C(N)CC=CC;NYRBXLOHZIVXQM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352835;MM352835;C=CC(=O)C(=O)C(=C)C#N;CFFPXQAJICFKEN-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352836;MM352836;C=CC(C)C(N)CC=CF;WXVLZNIXYBOALF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352837;MM352837;C=C(C=O)C(=O)C(=O)C=O;WYUSIWOWAFNLED-UHFFFAOYSA-N;140.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352838;MM352838;CC(C#N)C(O)CC=CF;XFQJPGJVGGSBST-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352839;MM352839;C=CC(=O)C(=O)C(=O)C=C;POUXCZFBIBTXOL-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352840;MM352840;C=CC(N)C(O)CC=CC;WPRBFYALSBTBQD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352841;MM352841;C=CC(=O)C(=O)C(=O)C=O;LHOJOYYTGHMHRZ-UHFFFAOYSA-N;140.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352842;MM352842;C=CC(N)C(O)CC=CF;KJGABIGCHOXALA-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352843;MM352843;O=CC(=O)C(=O)C(=O)C=O;AWRQHZBSCXKEQF-UHFFFAOYSA-N;142.07;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352844;MM352844;C=CC(C)C(F)CC=CF;HLBXXAAFEINGBX-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352845;MM352845;C#CC(=C)C(=C)C(=C)C=C;BPIGUPHKDFZNNK-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352846;MM352846;C=CC(C)C(C)CC=NN;MYLVQINQQCHOIW-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352847;MM352847;C#CC(=C)C(=C)C(=C)C=O;MJJIXELCFOHHBB-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352848;MM352848;CC(C#N)C(C)CC=NO;WIERCQNSUSTREL-UHFFFAOYSA-N;140.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352849;MM352849;C#CC(=O)C(=C)C(=C)C=C;KITFTANVZXWHRM-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352850;MM352850;CC(CC=NO)C(O)C=O;GJOJXPPKZWAOSH-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352851;MM352851;C#CC(=O)C(=C)C(=C)C#N;TZYAUOVKBBCMIN-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352852;MM352852;N#CC(O)C(O)CC=NO;FAARKDLMYIKILE-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352853;MM352853;C#CC(=C)C(=C)C(=O)C=C;GNRIFIBPFGCHGQ-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352854;MM352854;C=CC(C)C(F)CC=NN;LCWJENLZUFMPDP-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352855;MM352855;C#CC(=C)C(=C)C(=O)C#N;OZWQJXWRXJBPII-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352856;MM352856;C=CC(C)C(C)NC=NC;RGEPBBVPVKBTPV-UHFFFAOYSA-N;140.23;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352857;MM352857;C#CC(=C)C(=O)C(=C)C=C;AHMZGQZFTVNKJH-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352858;MM352858;C=CC(C)C(C)N=CNN;DPQRISGZAVHUQR-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352859;MM352859;C#CC(=O)C(=O)C(=C)C=C;XLNCNJATYDVVKW-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352860;MM352860;C#CCC1C(C)C1CO;XEFXOVYXIGECFZ-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352861;MM352861;C#CC(=O)C(=O)C(=C)C#N;CBYUMIQVRFIFBN-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352862;MM352862;CC1C(C#N)N1CC=O;DIHKKOOMHCWWBZ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352863;MM352863;C=CC(F)C(C)NN=CC;ABZWQYMJQSWZDN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352864;MM352864;C#CC(=C)C(=O)C(=O)C#N;AHGVBCPMTPYAKF-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352865;MM352865;CC(=O)CC(C)(C)CCO;NRHMMMCMKAXVEJ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352866;MM352866;C#CC(=C)C(=C)C(=C)C#C;IMFZYRNZZNINGH-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352867;MM352867;C=CC(C)C(C)OC=CC;QTRFDDDEDCGSOX-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352868;MM352868;C#CC(=C)C(=C)C(=O)C#C;HQLZGIAWURFVRY-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352869;MM352869;CC=COC(C)C(C)C=O;RKFZLKQRIGNZKK-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352870;MM352870;C#CC(=C)C(=O)C(=C)C#C;VISDRRIMORSYCR-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352871;MM352871;C=CC(N)C(C)OC=CC;KOOGQUOKPBCVDU-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352872;MM352872;CCC(C)C(C)C(C)=CF;NAEDOZSAPFPEEP-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352873;MM352873;CC=COC(C)C(O)C#N;GIOJOQGJMQKZKC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352874;MM352874;CC=C(C)C(C)C(C)CN;BFJKMDMQOOGISJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352875;MM352875;C=CC(F)C(C)OC=CC;DWCGYGVODVLVEI-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352876;MM352876;CC(=CF)C(C)C(C)CN;KMUQIYBIJZTVQR-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352877;MM352877;CC(OC=NO)C(O)C#N;BTCDPKGOFPNSAM-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352878;MM352878;C=CC(C)(C#CCF)CO;KELIDLWYZLMIHC-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352879;MM352879;C=CC(C)(O)C=CC(C)C;WQHXWBYDHHLAGR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352880;MM352880;CC=C(C)C(C)C(C)CF;WCKIUYXLJPMURI-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352881;MM352881;CN(C=O)C(C)(C)CC=O;CUEUMMSJOWCTDD-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352882;MM352882;CC=C(F)C(C)C(C)CN;DUYJTFAJFDWWRX-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352883;MM352883;CC=NOC(C)C(C)C#N;AEJSNXGSMPGDIJ-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352884;MM352884;CC=C(C)C(C)C(N)CC;UJUTZIHIERQDNG-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352885;MM352885;C=CC(N)C(C)ON=CC;CNWMWRJZXPNAED-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352886;MM352886;CCC(N)C(C)C(C)=CF;AJVRIZCMICUNLG-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Na";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352887;MM352887;CC=CCC(C)N(C)C=O;QRDDOYPIRGPBJL-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352888;MM352888;CC=C(C)C(C)C(N)CN;ALFNUULNTUORMG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352889;MM352889;CC=CCC(C)N(N)C=N;KAWXSVAFDXHILP-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352890;MM352890;CC=C(C)C(C)C(N)CO;JOFOLSYAAINDSF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352891;MM352891;C=NN(C)C(C)CC=CC;QKWUMIFOURLYEQ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352892;MM352892;CC(=CF)C(C)C(N)CF;VLHAUVMBRDAMHU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352893;MM352893;C=NN(C)C(C)CC=NN;KUASRIXTNQXSKW-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352894;MM352894;CC=C(F)C(C)C(N)CC;RJIZVNXKVSYQDU-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352895;MM352895;C=CC(C)N(C)CC=CC;DQFFVNHBLLMXQC-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352896;MM352896;CCC(N)C(C)C(F)=CF;QQJQJANQHHTZPA-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352897;MM352897;CC(C)(CC=CF)CCO;QDCVYJTXTBOCPK-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352898;MM352898;CC=C(F)C(C)C(N)CF;VEJPOEVNNIUVBG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352899;MM352899;CN(C=O)N(C)CC=NN;SQUATRQFRYJNRY-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352900;MM352900;CCC(O)C(C)C(C)=CF;CTFQMZGOAWWHTN-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352901;MM352901;CN(C=O)N(C)CC=NO;VYLCTEGBRGFDKJ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352902;MM352902;CC=C(C)C(C)C(O)CN;ZRRAMWYLMXACPI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352903;MM352903;C#CC(C)C(C)CC=CC;BLBCSUXMWFHCBC-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352904;MM352904;CC=C(C)C(C)C(O)CO;SUYKZGPDLPKAOO-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352905;MM352905;C#CC(N)C(C)CC=CC;DOPYLIIRKMXLCU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352906;MM352906;CC(=CF)C(C)C(O)CF;SMWKRWLUUJIFBI-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352907;MM352907;C#CC(N)C(C)CC=CF;LHQHFEJOLVBGDK-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352908;MM352908;CCC(O)C(C)C(F)=CF;UBTNHEULGIVENH-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352909;MM352909;C#CC(C)C(N)CC=CC;ZTZUOZCOEFKHPY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352910;MM352910;CC=C(F)C(C)C(O)CN;HLMBULMVUNRKNL-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352911;MM352911;C#CC(C)C(N)CC=CF;KGPDUILPOMKAPP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352912;MM352912;CCC(F)C(C)C(C)=CF;HQEHLJPXXYYWDM-UHFFFAOYSA-N;148.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352913;MM352913;C#CC(O)C(N)CC=CC;YVBQZWRPINTZKZ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352914;MM352914;CC=C(C)C(C)C(F)CN;UGVYYKQTHOUFIH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352915;MM352915;C#CC(F)C(N)CC=CF;XRVVKNPHDDLUMW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352916;MM352916;CC=C(C)C(C)C(F)CO;VMBQMBVHTDDFDA-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352917;MM352917;C#CC(N)C(O)CC=CC;LUMVVLCRUWAEQX-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352918;MM352918;CC=C(C)C(C)C(F)CF;NDWAWVXBMHDOHK-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352919;MM352919;C#CC(O)C(O)CC=CC;PUGKXNTXDLDBAV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352920;MM352920;CC(=CF)C(C)C(F)CF;GSHVJTYRJOEXLF-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352921;MM352921;C#CC(O)C(O)CC=CF;AYNOGPYASWXPSH-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352922;MM352922;CC=C(F)C(C)C(F)CN;INHVYSJQPDBIDY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352923;MM352923;C#CC(C)C(C)CC=NN;NRNLEXGPBLLARS-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352924;MM352924;CC=C(C)C(N)C(C)CC;OQFIMOFXTXCPDZ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352925;MM352925;CC(=O)CC(C)=NN=CN;LLDMILNMNUZOAP-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352926;MM352926;CCC(C)C(N)C(C)=CF;MEEIEEOCYTXGBY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352927;MM352927;C#CC(C)C(N)CC=NO;BSQPPOTZBUNHKL-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352928;MM352928;CC(=CF)C(N)C(C)CN;BPESMVSPSTUEPJ-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352929;MM352929;C#CC(O)C(O)CC=NO;IXBPYZTYDIXDCK-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352930;MM352930;CC=C(C)C(N)C(C)CO;RKEZQVKPTDNBPA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352931;MM352931;C#CC(F)C(O)CC=NO;HBAJNBGGKIZZBX-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352932;MM352932;CC=C(C)C(N)C(C)CF;DFTYHLIHPOSBTP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352933;MM352933;C#CC(C)C(F)CC=NN;WXZQQIMTTNXFOK-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352934;MM352934;CC=C(F)C(N)C(C)CN;INFZQDQTPDJTAY-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352935;MM352935;C#CC(O)C(F)CC=NO;KRGWQQWTYGWYAD-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352936;MM352936;CC=C(C)C(N)C(N)CC;BJSLCKXVDJJRLX-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352937;MM352937;C#CC(F)C(C)NN=CC;AUKVSJUMGSGXEK-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352938;MM352938;CC(=CF)C(N)C(N)CO;FGUZNTIYFYROFR-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352939;MM352939;C#CC(C)C(C)OC=CC;ZHGYGUQSFMMHJB-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352940;MM352940;CC=C(C)C(N)C(N)CF;CQESBRBRYDOWPC-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352941;MM352941;C#CC(N)C(C)OC=CF;UKGAUGKVCBPERL-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352942;MM352942;CC=C(F)C(N)C(N)CC;LVQLEAKPMAXHMI-UHFFFAOYSA-N;146.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352943;MM352943;C#CC(O)C(C)OC=NO;POLOZWVKBISUBC-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352944;MM352944;CC=C(C)C(N)C(O)CC;HLDLDZOUUOSJNG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352945;MM352945;CC(C)(CO)CC#CC=O;YKFLYNVWEBFFLV-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352946;MM352946;CC=C(C)C(N)C(F)CC;YBJBEMTXKGMXGT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352947;MM352947;C#CC(F)C(C)OC=NO;VPCSWXAGNSNCQL-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352948;MM352948;CCC(F)C(N)C(C)=CF;YIYIDQCTPHCRHK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352949;MM352949;C=CC(C)CC(=C)C(C)O;FAWIGZXVFJMKFC-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352950;MM352950;NC(CO)C(O)C(F)=CF;ZWCFURYGASNNSU-UHFFFAOYSA-N;153.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352951;MM352951;C#CC(C)N(C)NC=NC;PZTVJJDVTMAYKF-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352952;MM352952;C=C(CN)C(C)CC=CC;FSYWUKIKNOJOCF-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352953;MM352953;CC=C(C)C(O)C(O)CO;SOLFKCIESOGHDF-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352954;MM352954;CC(C#N)CC1CC1(C)O;APAFQQYMSARKGN-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352955;MM352955;CC(=CF)C(O)C(O)CF;SGBVFODRZGOICR-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352956;MM352956;CC=CCC(C)C(=O)CC;QVTFXABHWRPLJC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352957;MM352957;NCC(O)C(O)C(F)=CF;YAKZZULECCAURX-UHFFFAOYSA-N;153.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352958;MM352958;C=C(CC)C(N)CC=CF;HJWDFHHFBUGJRM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352959;MM352959;OCC(O)C(O)C(F)=CF;GXMTUYCFUOFXCB-UHFFFAOYSA-N;154.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352960;MM352960;C=C(CN)C(N)CC=CC;XDYDTFMWPIHVPH-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352961;MM352961;CC(=CF)C(O)C(F)CN;ZWJDQFLXMOQNJD-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352962;MM352962;C=C(CN)C(N)CC=CF;RGXFMNDTJXKDSI-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352963;MM352963;CC(=CF)C(O)C(F)CO;HGMDQJMACLAWET-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352964;MM352964;C=C(CO)C(N)CC=CC;MQZCROHNZKJQIC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352965;MM352965;CC=C(C)C(F)C(C)CN;MDUMMBYHAXEWEZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352966;MM352966;C=C(CO)C(N)CC=CF;OKCVIBUPMVBQPL-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352967;MM352967;CC(=CF)C(F)C(C)CN;GMRMKYMQQSOUEJ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352968;MM352968;C=C(CN)C(O)CC=CF;FVNQFKIQGOKIPC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352969;MM352969;CC=C(C)C(F)C(C)CO;VCABDMCITFYPJQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352970;MM352970;CC=CCC(O)C(=O)CC;JDNSSMZSIJHGKA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352971;MM352971;CC(=CF)C(F)C(C)CO;LLDATSKDRCBUBO-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352972;MM352972;C=C(CN)C(F)CC=CF;LWAOTPJFKGSIQW-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352973;MM352973;CC=C(F)C(F)C(C)CN;WGEOGMBVUARWNF-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352974;MM352974;C=C(CC)C(C)CC=NO;UIJBNFYNRFIJBS-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352975;MM352975;CC=C(C)C(F)C(N)CC;GFUXQKMFRUQSIF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352976;MM352976;CC(CC=NO)C(=O)CO;HWHSLONQMIULAT-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352977;MM352977;CCC(N)C(F)C(C)=CF;DHHUAIPCBRHWKI-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352978;MM352978;CC=CCC(C)C(=N)NN;ZYBQMOWCZDORKM-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352979;MM352979;CC(=CF)C(F)C(N)CN;ANYVKRIIORLIOK-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352980;MM352980;CC=CCC(C)C(=N)NO;DIBJNXLHIYMWLY-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352981;MM352981;CC(=CF)C(F)C(N)CO;ZFIJXDANMMBVJO-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352982;MM352982;C=C(CCC(C)O)C(C)O;HFITUHKTPNBJLY-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352983;MM352983;CC=C(F)C(F)C(N)CO;RMGBOYHRWRKYPH-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352984;MM352984;CC=CCC(C)C(=O)NO;LUQUVRPOEXDKOT-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352985;MM352985;CC=C(C)C(F)C(O)CC;FPZMLXXBLRUAKY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352986;MM352986;CC=CCC(O)C(=O)NC;LBEZXQQIHQSTFC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352987;MM352987;CC(=CF)C(F)C(O)CN;UABRQUCCAQCTIL-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352988;MM352988;C=C(CCC(C)F)C(C)O;SIMKJVHLMWBWLJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352989;MM352989;CC=C(C)C(F)C(O)CO;PZXLCNNFMTUXMM-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352990;MM352990;CNC(=N)C(C)CC=NO;FMNWSURCOMOQNE-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352991;MM352991;CC=C(F)C(F)C(O)CN;YOSDQDYJJITEKD-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352992;MM352992;CNC(=N)C(O)CC=NN;KUGDEWIDUBESKQ-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352993;MM352993;CCC(C)C(C)C(C)=NN;JSEWCAXOXIPVOK-UHFFFAOYSA-N;142.25;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352994;MM352994;C=C(CCC(F)F)C(C)O;UIPWPZMYVZCIFV-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352995;MM352995;CC(=NO)C(C)C(C)CO;MSNWHOZRFSJMTD-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352996;MM352996;C=C(OC)C(C)CC=CC;DCEBSQNLXUUBKU-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352997;MM352997;CC(=NO)C(C)C(C)CF;DWMBWNRNRQMMAF-UHFFFAOYSA-N;147.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352998;MM352998;COC(=O)C(C)CC=CF;AQICDUCQUDHZAB-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM352999;MM352999;CCC(N)C(C)C(C)=NO;HMKDALYJNURHCC-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353000;MM353000;COC(=O)C(F)CC=CF;ZZUOGWWRNFXMSE-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353001;MM353001;CCC(O)C(C)C(C)=NO;UIVZONDYHOJJIY-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353002;MM353002;COC(=O)C(C)CC=NN;TXPIXYXBCYAOKP-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353003;MM353003;CCC(F)C(C)C(C)=NO;URTUEEVURFZPSM-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353004;MM353004;C=C(CC)C(C)N=CNN;IAUWBHJUFGNHBO-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353005;MM353005;CC(=NO)C(C)C(F)CF;GBMZFLDKVPUJAZ-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353006;MM353006;CNC(=N)C(C)N=CNN;DTYSIOFVKZCRLT-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353007;MM353007;CCC(C)C(N)C(C)=NO;YSTPQPNAGOLODY-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353008;MM353008;CNC(=N)C(C)N=CNO;WFYHHPSXVIUOHC-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353009;MM353009;C#CC(C#C)=CCC(C)O;PJDBSBBIFVZVFA-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353010;MM353010;C=C(OC)C(C)N=CNC;VWTVYRKGFPLZTH-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353011;MM353011;C=CC1(CC(=O)C#N)CN1;CDGPLADFFQPPFL-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353012;MM353012;C=C(CF)C(C)NN=CC;DLCNTDNEIPBIQE-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353013;MM353013;CCC(C)C(F)C(C)=NN;ICWGRDIUGQLPOP-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353014;MM353014;CC(=CCC(C)C)C(C)O;AAXNBJSTKUJWIW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353015;MM353015;C#CCCC(=C)C(O)C=C;RUEQGXPLSSSHED-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353016;MM353016;CC(=CCC(F)F)C(C)O;NLADOTNFRZCZOZ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353017;MM353017;N=CN=C(C=O)NOC=O;ZKIGTRVBLUQKCD-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353018;MM353018;CC=NNC(C)C(=O)NO;GNONGIFNCDXGQO-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353019;MM353019;CC=C(C)C(C)C(C)NC;BSKZEWVEOICQHC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353020;MM353020;C=C(OC)C(C)NN=CC;MJHWBUAWPUDBGO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353021;MM353021;CC#CC(C)(C)C1CC1O;DBQUMGGPGBSAMG-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353022;MM353022;CC=C(F)C(C)C(C)NC;IBOVAFWKMMXHCI-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353023;MM353023;C=C(CN)C(C)OC=CC;IRAXAEFYUJYQPT-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353024;MM353024;CC=C(C)C(F)C(C)NC;HHRVARSJKINKIK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353025;MM353025;C=C(CO)C(C)OC=CC;QPOWEMDOMRJABC-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353026;MM353026;CNC(C)C(F)C(C)=CF;GOPIPIOPCGWXHV-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353027;MM353027;C=C(CF)C(C)OC=CC;TWUYEWUQSILTGT-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353028;MM353028;CNC(C)C(C)C(C)=NO;SMAZGWIFXZCWLS-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353029;MM353029;CC=COC(C)C(=O)CO;HQPWYQLGEPZLQS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353030;MM353030;COC(C)C(C)C(C)=CF;OTCXZDMGTZRLHJ-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353031;MM353031;CC(OC=CF)C(=O)CO;SNHCXTFKWRRQPE-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353032;MM353032;CC=C(F)C(O)C(C)OC;BMAHMCOWAQYPCJ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353033;MM353033;CC=COC(C)C(=O)CF;UDJGJHBXWZNHFL-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353034;MM353034;COC(C)C(O)C(F)=CF;CMFHMIMUIRNQKI-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353035;MM353035;CC=COC(C)C(=N)NN;KFRFDWHSVGSWMG-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353036;MM353036;COC(C)C(C)C(C)=NN;QMOLZKPDOMTIKR-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353037;MM353037;CC=COC(C)C(=N)NO;VJMGLJWOVXRMJZ-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353038;MM353038;C#CCC(O)C(C#C)C#C;BZQNYNFOKHKBMN-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353039;MM353039;CC=COC(C)C(=O)NC;RYPZIZBLKIFBPD-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353040;MM353040;CCC(C)N(C)C(C)=NC;UOBMKRYPCUJERL-UHFFFAOYSA-N;142.25;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353041;MM353041;CC#CC12C=CC(O)(C1)C2;UKEFTSBPRSFMJE-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353042;MM353042;CCC(C)N(C)C(C)=NN;WMCGQHVJLVRYGP-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353043;MM353043;CC=COC(C)C(=O)NO;QTKVQCDOXJVABS-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353044;MM353044;C=Cc1[nH]nc(NN)c1N;DAHPMKYMLHAVTD-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353045;MM353045;CC(OC=NN)C(=N)NN;SSPHILLOPNCJPW-UHFFFAOYSA-N;145.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353046;MM353046;CC(=NN)N(C)C(C)CO;BYUQPIFAAFJVSB-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353047;MM353047;CC(OC=NO)C(=N)NN;UABDCLIPOWVRSA-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353048;MM353048;C=CC(C)C(C)C(C)=CC;BGLUMCFVHBWBDF-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353049;MM353049;CC(OC=NO)C(=N)NO;XPZIVGYGEFGIKY-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353050;MM353050;C=CC(C)C(C)C(C)=CF;OTVDMGVIUKVTJI-UHFFFAOYSA-N;142.22;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353051;MM353051;CNC(=O)C(C)OC=NO;GGVPQMCRJHTMAY-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353052;MM353052;CC=C(C)C(C)C(C)C=O;GHPXQCZVPWVHGV-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353053;MM353053;C=NOC=NOCC(C)=O;MVVALAYUPMXLLX-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353054;MM353054;CC=C(C)C(C)C(C)C#N;ZAIWWOIODYYFKE-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353055;MM353055;CC(OC=NO)C(=O)NN;IZFQKWVLYZWTLI-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353056;MM353056;CC(=CF)C(C)C(C)C=O;HIISDXNZBUAFSA-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353057;MM353057;CC(OC=NN)C(=O)NO;YNKATSKWABXJGO-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353058;MM353058;CC(=CF)C(C)C(C)C#N;CSLWINCEZOIBLJ-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353059;MM353059;CC(OC=NO)C(=O)NO;WHZGBZAZMBPLEO-UHFFFAOYSA-N;148.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353060;MM353060;CC=C(F)C(C)C(C)C=O;SURKAMSEYGZWIJ-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353061;MM353061;C#CC#CC=CCC(C)O;GWDUCTZKCIQANP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353062;MM353062;C=CC(N)C(C)C(C)=CC;XNOYCRGVNNEUQV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353063;MM353063;C=C(OC)C(C)OC=NO;XAOSCCYLLGEGKF-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353064;MM353064;C=CC(N)C(C)C(C)=CF;WFEYTHOBSWBVOT-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353065;MM353065;C=C(CN)C(C)ON=CC;LPMUNDYABPXHAW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353066;MM353066;C=CC(N)C(C)C(F)=CC;ZWCMBHMLSJDBEN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353067;MM353067;CCOC(=N)NN=CNN;KFMDSLGBUUBVOP-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353068;MM353068;NN=CNN=c1occo1;KDWWMYGQPFLVFK-UHFFFAOYSA-N;142.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353069;MM353069;CC#CC=CC(O)CCC;ZNOSVBWJJJPJMU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353070;MM353070;CC=C(C)C(C)C(O)C=O;POGIHCSCOZNMFD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353071;MM353071;CC=NOC(C)C(=O)NO;PBRKTAOWCWYCKF-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353072;MM353072;C=CC(O)C(C)C(F)=CC;XKXDFVGCHLURSO-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353073;MM353073;CC=NOC(C)C(=O)OC;YFTCLKVUABCEEM-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353074;MM353074;CC=CCN(C)C(=N)CN;GFCUGGYMNGOYKG-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353075;MM353075;C=CC(F)C(C)C(C)=CC;PRUUGXZNBNZRSW-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353076;MM353076;CN(CC=CF)C(=N)CO;YHGLCBLKFPOWLF-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353077;MM353077;CC=C(C)C(C)C(F)C=O;QGARPCJCIIHDJU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353078;MM353078;CC=CCN(C)C(=O)CO;PTGAHGMTGKOROW-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353079;MM353079;C=CC(C)C(N)C(C)=CC;HIYFFOIQOUYPIX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353080;MM353080;CN(CC=CF)C(=O)CO;JMEWNCJAPJHFCI-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353081;MM353081;C=CC(C)C(N)C(C)=CF;GVUCVPSEJIWTJK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353082;MM353082;N=C(CO)N(N)CC=CF;VTXJIAAROOIROR-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353083;MM353083;C=CC(C)C(N)C(F)=CC;OYAAIUGMVZQRQB-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353084;MM353084;CCC(=O)N(N)CC=CF;ZZPVEXWCLWVWGF-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353085;MM353085;C=CC(N)C(N)C(C)=CC;BSEYUTNUAYNODP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353086;MM353086;C=C(CCCCC)C(C)O;DMKLYARVVDTRTB-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353087;MM353087;C=CC(O)C(N)C(C)=CC;FGVWXPRAZODLHO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353088;MM353088;C=C(CCCCF)C(C)O;YLTBSBKOJSUBTO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353089;MM353089;CC=C(C)C(O)C(C)C#N;QTUAAOVZHGHBQF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353090;MM353090;CN(CC=NO)C(=O)CF;OJECFVYTBAQWLX-UHFFFAOYSA-N;148.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353091;MM353091;CC(C#N)C(O)C(F)=CF;NQKXXYFRRQMNPX-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353092;MM353092;N=C(CO)N(N)CC=NN;BUNNHTVBTBGPOC-UHFFFAOYSA-N;145.17;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353093;MM353093;C=CC(O)C(O)C(F)=CF;MYCBGUPPFVVDDB-UHFFFAOYSA-N;150.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353094;MM353094;N=C(CO)N(N)CC=NO;IKLFNKLVFLWDKM-UHFFFAOYSA-N;146.15;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353095;MM353095;CC=C(F)C(O)C(O)C#N;ORPPSNAEVPFDAN-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353096;MM353096;C=C(CCCC=O)C(C)O;SLKGNPBZIWWNKI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353097;MM353097;O=CC(O)C(O)C(F)=CF;MTSPKEYDODJUFV-UHFFFAOYSA-N;152.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353098;MM353098;NN(CC=NO)C(=O)CF;TYMWGAWFBAVMCD-UHFFFAOYSA-N;149.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353099;MM353099;CC=C(F)C(O)C(F)C=O;CBBQHVJQTFDTRC-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353100;MM353100;CCC(=N)N(O)CC=NN;LLVHQGIYIBASBV-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353101;MM353101;CC=C(F)C(O)C(F)C#N;MCTDCZGDZPLWIL-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353102;MM353102;CNC(=O)N(C)CC=CF;VUDJFGZLYCUJHM-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353103;MM353103;O=CC(F)C(O)C(F)=CF;LKHWKXGDDLPPJI-UHFFFAOYSA-N;154.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353104;MM353104;CCCCC=C(C)C(C)O;LTSUSBRTIAXKOS-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353105;MM353105;N#CC(F)C(O)C(F)=CF;VKWUYEOXUPGYFX-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353106;MM353106;CC=CCN(C)C(=O)NO;DDBQBHDQIIZQEI-UHFFFAOYSA-N;144.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353107;MM353107;CC=C(C)C(F)C(C)C=O;SRBSXYIDQJZXJY-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353108;MM353108;CC=CCN(N)C(=N)NC;QKIZGWVYUWGFAJ-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353109;MM353109;CC=C(F)C(F)C(O)C#N;DAMXVXRFNAZJKC-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353110;MM353110;N=C(NN)N(N)CC=CF;UUTWHSZUGMBSHA-UHFFFAOYSA-N;147.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353111;MM353111;C=CC(C)C(C)C(C)=NN;BYAKJNYODWTLBF-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353112;MM353112;N=C(NO)N(N)CC=CF;PKRKJUIJWBQXQC-UHFFFAOYSA-N;148.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353113;MM353113;CC(=NO)C(C)C(C)C=O;KVIPUZFYIORRBK-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353114;MM353114;CC(=CCCC=O)C(C)O;RFUMEWGPYZSJPK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353115;MM353115;C=CC(C)C(O)C(C)=NO;XRZJBQDYJHITNF-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353116;MM353116;CC(C=O)C=NN(C)C=N;KGPKGZDLFRCBSX-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353117;MM353117;CC(=CF)C(C)N(C)C=O;DVCOCGBDUKICGE-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353118;MM353118;NN(CC=CF)C(=O)NO;RNCSUJXIGZUXQN-UHFFFAOYSA-N;149.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353119;MM353119;CC=C(F)C(C)N(C)C=O;TWBLMOGVNJILST-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353120;MM353120;N=C(NN)N(O)CC=CF;LITDYPNQOHSGLB-UHFFFAOYSA-N;148.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353121;MM353121;CC(C(F)=CF)N(C)C=O;HEXZUTFOOGCXNM-UHFFFAOYSA-N;149.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353122;MM353122;NNC(=O)N(O)CC=CF;UJIZSQHXVQXTJO-UHFFFAOYSA-N;149.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353123;MM353123;CC=C(C)C(C)N(N)C=N;UZTBKOJJDPMNRD-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353124;MM353124;O=C(NO)N(O)CC=CF;UMSFFEPDKWUTRI-UHFFFAOYSA-N;150.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353125;MM353125;CC=C(C)C(C)N(N)C=O;CDYMFECDAQFRFI-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353126;MM353126;CNC(=N)N(C)CC=NN;MLAYPXGFEDSRRQ-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353127;MM353127;CC=C(F)C(C)N(N)C=N;MYVYMDROCPILAD-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353128;MM353128;CNC(=N)N(C)CC=NO;LIISMTFDHCRQJK-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353129;MM353129;CC(C(F)=CF)N(N)C=N;OZPGQGIPSIWJMI-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353130;MM353130;CN(CC=NN)C(=N)NN;BTQPFOGNKFDWRV-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353131;MM353131;CC(C(F)=CF)N(N)C=O;AUPZJRPWBNMNMM-UHFFFAOYSA-N;150.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353132;MM353132;CN(CC=NO)C(=N)NN;LBAXHQPDJCXFMA-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353133;MM353133;CC(=NO)C(C)N(C)C=O;UMEJXIHGZGOADM-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353134;MM353134;CC(=NO)C(C)N(N)C=O;HXZHGEXGWGFHFQ-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353135;MM353135;CN(CC=NN)C(=N)NO;QQWCPROXZHPITE-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353136;MM353136;C=NN(C)C(C)C(C)=CC;OFSOZEPZLLEVNW-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353137;MM353137;CN(CC=NO)C(=N)NO;JEHZOXOSJQWLDA-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353138;MM353138;C=NN(C)C(C)C(C)=CF;DOHNFFKCGHTPTD-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353139;MM353139;CC(C#N)CCC1(O)CC1;QKWRFCTUAMQFTH-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353140;MM353140;C=NN(C)C(C)C(F)=CF;AETOPXDVMGYMHV-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353141;MM353141;CNC(=O)N(C)CC=NO;NKGRSWRSIWKOSB-UHFFFAOYSA-N;145.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353142;MM353142;C=NN(C)C(C)C(C)=NO;AGTRFCAIQHIGIV-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353143;MM353143;CN(CC=NO)C(=O)NN;KXWQAFXHIJZMRW-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353144;MM353144;CN=CNN=c1onno1;NNSPRHSONWKZHM-UHFFFAOYSA-N;143.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353145;MM353145;CN(CC=NO)C(=O)NO;NJHPFCXGMUEEPI-UHFFFAOYSA-N;147.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353146;MM353146;C=C1C=CC(O)C1;ZBRXJQZXRVQZCE-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353147;MM353147;CNC(=N)N(N)CC=NN;HBQPGWGGFDGRIH-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353148;MM353148;CC(=NO)N(C)N(C)C=O;MSPPJDOKCYNFNR-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353149;MM353149;CNC(=N)N(N)CC=NO;IQIBFMADCWBROX-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353150;MM353150;C#CC(C)C(C)C(C)=CC;XTLLQMAYXVPXPD-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353151;MM353151;N=C(NN)N(N)CC=NN;UQAMVKUABOPMAE-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353152;MM353152;C#CC(C)C(C)C(C)=CF;MAXHHQOSOUXMJY-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353153;MM353153;N=C(NN)N(N)CC=NO;MQKREIKVEJNRNW-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353154;MM353154;C#CC(C)C(C)C(F)=CC;AQIZPUVCESZMCA-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353155;MM353155;N=C(NO)N(N)CC=NN;WXLHHWJWVZBYCZ-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353156;MM353156;C#CC(N)C(C)C(C)=CC;QREFPQBJHNVMOM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353157;MM353157;C=CC(C)(O)C=CC1CC1;SNZJXGASOVPXQR-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353158;MM353158;C#CC(N)C(C)C(F)=CC;UFAHNTXMMJYYBU-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353159;MM353159;CNC(=O)N(N)CC=NO;FRDKLVLTXMWVDP-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353160;MM353160;C#CC(O)C(C)C(C)=CC;NNHMCUXOVVQFHI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353161;MM353161;C#CCC#CCC(O)CC;GEBQTPKYFAPADU-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353162;MM353162;C#CC(O)C(C)C(C)=CF;MRRBDPXBRFFMFF-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353163;MM353163;NNC(=O)N(N)CC=NO;OTSGWIMWRFVEML-UHFFFAOYSA-N;147.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353164;MM353164;C#CC(O)C(C)C(F)=CC;DPZFQLDZKJRVMH-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353165;MM353165;NN=CCN(N)C(=O)NO;RBRCFUVZJSYNLX-UHFFFAOYSA-N;147.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353166;MM353166;C#CC(C)C(N)C(C)=CC;WRZLWILZOFYSFD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353167;MM353167;NN(CC=NO)C(=O)NO;WAUMGWKJEHFYJD-UHFFFAOYSA-N;148.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353168;MM353168;C#CC(C)C(N)C(C)=CF;OCHWCRBIQZBCAN-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353169;MM353169;C#CC(N)C(O)C(C)=CC;JOUYXAJNTRLZAV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353170;MM353170;CNC(=N)N(O)CC=NN;KXDUUCMYGFTCRO-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353171;MM353171;C#CC(N)C(O)C(C)=CF;FGSILMNIDFUUDP-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353172;MM353172;CNC(=N)N(O)CC=NO;VFLRXSYDAVQJHS-UHFFFAOYSA-N;146.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353173;MM353173;C#CC(N)C(O)C(F)=CC;SEXAZPWVAFVMMJ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353174;MM353174;N=C(NN)N(O)CC=NN;IVVPZUSHYWSGRN-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353175;MM353175;C#CC(F)C(O)C(F)=CC;QTJCJUXYLSKRHQ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353176;MM353176;NN=CCN(O)C(=O)NN;LVBNNZOIENSHIZ-UHFFFAOYSA-N;147.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353177;MM353177;C#CC(F)C(O)C(F)=CF;WRJZVMCGDOVJAC-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353178;MM353178;C#CCC(CO)CC#CC;FFCCMLNWUOOFQR-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353179;MM353179;C#CC(O)C(F)C(C)=CC;QBEOEHQHPCDPKK-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353180;MM353180;C#CC#Cc1c[nH]c(N)c1;DOBMXNSRCWDVAS-UHFFFAOYSA-N;130.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353181;MM353181;C=CC1CC(CO)C1;LJZBERCTZMDRFU-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353182;MM353182;C#CC(CO)C(C=C)C=C;BQYXJIBOKWPRBM-UHFFFAOYSA-N;136.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353183;MM353183;O=CC1CC(CO)C1;PVTQKAXIHKIKOD-UHFFFAOYSA-N;114.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353184;MM353184;C#CC(C=O)ON=CC=C;SINQZCWMMPBULX-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353185;MM353185;C=C(CC)C(C)C(C)=CC;TYLHDXJNPDDTCP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353186;MM353186;C=NN(C=N)C(=N)CC#N;TWGNQYBYTGAMTR-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353187;MM353187;C=C(CC)C(C)C(C)=CF;MEVGJBXRERQDMT-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353188;MM353188;C#CC1(C#C)C(C)C1CO;DYMQOXLEWVGQBA-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353189;MM353189;C=C(CN)C(C)C(C)=CC;NBMCLKSKJBAISP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353190;MM353190;CN=CNN(C)C(=N)NC;HQQZUYCIJMAICL-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353191;MM353191;C=C(CN)C(C)C(C)=CF;PUZYXVQABITGGH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353192;MM353192;CN=CNN(C)C(=N)NN;SYZDDBZBEGATEJ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353193;MM353193;CON=C(C)CC(C)=O;AZEVPKFPPISDRG-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353194;MM353194;CN=CNN(C)C(=N)NO;LZKNWITXAKIWBL-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353195;MM353195;C=C(CF)C(C)C(C)=CC;LYYZDHHDHHLDFV-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353196;MM353196;CN=CNN(C)C(=O)NC;CWYTVLJFKAOOOZ-UHFFFAOYSA-N;144.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353197;MM353197;C=C(CC)C(C)C(F)=CF;HGABDQQKIJNFEI-UHFFFAOYSA-N;146.18;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353198;MM353198;CN=CNN(C)C(=O)NN;ZHIUGFVTPPLDFI-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353199;MM353199;C=C(CN)C(C)C(F)=CF;RRGWKHRBWCPJRR-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353200;MM353200;CCC1(C#N)CN1CC=O;LGNQLCXPNWEIIQ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353201;MM353201;C=C(CO)C(C)C(F)=CC;PSDNODAPUTVDEW-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353202;MM353202;CCc1c[nH]c(N=N)c1C;BEQOPAFVXHMSCB-UHFFFAOYSA-N;137.19;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353203;MM353203;CCC(=O)C(C)C(C)=CF;YXLLEZJZXKBLNI-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353204;MM353204;CC(=CF)C(C)C(=O)CF;VARWFZZDZLOCNS-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353205;MM353205;CN(OC=NN)C(=O)CO;WMVYZDGZINRCRZ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353206;MM353206;C=C(CC)C(N)C(C)=CC;AICPXVQENCSXDO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353207;MM353207;CN(OC=NO)C(=O)CO;KAWRJXIPNITOEX-UHFFFAOYSA-N;148.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353208;MM353208;N=c1nc2onccc-2[nH]1;FWVASSGKRKATRL-UHFFFAOYSA-N;136.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353209;MM353209;C=C(CC)C(N)C(C)=CF;ZAVXIHRAWURDNM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353210;MM353210;CNC(=N)N(C)OC=NN;NZYIJFJIJWJYOL-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353211;MM353211;C=C(CO)C(N)C(C)=CC;FRFLEMTVJSBGIZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353212;MM353212;CN=CNN=c1occo1;DJFSJWBGFLQUMZ-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353213;MM353213;C=C(CO)C(O)C(F)=CF;SGDXOMNMRALIBG-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353214;MM353214;CNC(=O)N(C)OC=NO;IAJUTEZQGYNKBX-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353215;MM353215;CC=C(F)C(O)C(=O)CF;SIQDPEJGNGMOBW-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353216;MM353216;CN(OC=NO)C(=O)NN;ZFLPGXZOWCMPHU-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353217;MM353217;C=C(CN)C(F)C(C)=CF;SHXZXXNCGFTNID-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353218;MM353218;C=CC(=C)C(C)CC=CC;YCSOEPCOLWVZKE-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353219;MM353219;C=C(CO)C(F)C(C)=CF;YIAMSMZXMCSMBN-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353220;MM353220;C=C(C=O)C(C)CC=CC;QQMLQFLCYUYXBJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353221;MM353221;C=C(CO)C(F)C(F)=CF;JQHJJBJJLXECHK-UHFFFAOYSA-N;152.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353222;MM353222;CC=CCC(C)C(=O)C=O;IKESVVSKNGNQEA-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353223;MM353223;C=C(CC)C(C)C(C)=NN;DNFZNJBIKIMNQT-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353224;MM353224;CC(CC=CF)C(=O)C#N;NFENZGXHRFHCOH-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353225;MM353225;C=C(CO)C(C)C(C)=NO;QPHMFKVCDWERSI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353226;MM353226;C=CC(=C)C(N)CC=CC;IHYSCBJGYAVPKV-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353227;MM353227;CCC(=O)C(C)C(C)=NO;OWOYYWSVTGYABI-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353228;MM353228;C=CC(=C)C(N)CC=CF;YVLVHOJYJRCDGH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353229;MM353229;CC(=NO)C(C)C(=O)CO;WICMLJBZAFXVCP-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353230;MM353230;C=C(C#N)C(F)CC=CF;YWXDPMQYDYUQTB-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353231;MM353231;CON=C(N)C(O)C(=O)O;SHYRFYMRLQNWNA-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353232;MM353232;C=CC(=O)C(F)CC=CC;YNNLXXXQYSFNOG-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353233;MM353233;CC=C(C)C(C)C(=N)NN;HNJZKCHMYBNENS-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353234;MM353234;C=CC(=C)C(C)CC=NN;LPSZNSGHPKRHAA-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353235;MM353235;CC=C(C)C(C)C(=N)NO;DIIPIBDWWZSCAC-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353236;MM353236;C=C(C=O)C(O)CC=NO;PYWBLPAWGKWXPH-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353237;MM353237;CC=C(F)C(C)C(=N)NO;ZUALNELEURORKB-UHFFFAOYSA-N;146.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353238;MM353238;C=CC(=C)C(C)NC=NC;QWSNFJGIUSWYTC-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353239;MM353239;C#CC(=C)C(C)(O)C=C;YKMBBXGBGDWTNU-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353240;MM353240;C=CC(=C)C(C)N=CNN;DOTMZVKUZJXHDC-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353241;MM353241;CC=C(C)C(C)C(=O)NO;BRXCPLDIHPOWEK-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353242;MM353242;CN=CNC(C)C(=O)C=O;FMWDRNJDDLSHSD-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353243;MM353243;CC=C(F)C(O)C(=N)NC;ZTJYACCTMVGUGD-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353244;MM353244;CN=CNC(C)C(=O)C#N;HIRIJCBPTIIHEN-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353245;MM353245;CCC1=CC(C)(O)C=C1;GIJPVIKEXJHSNL-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353246;MM353246;C=CC(=C)C(C)NN=CC;PSALGAVPQJFJTL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353247;MM353247;CNC(=O)C(O)C(F)=CF;VDCFREUNBKBBBM-UHFFFAOYSA-N;151.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353248;MM353248;C=C(C=O)C(C)NN=CC;WVANQCLOVIIMCJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353249;MM353249;NNC(=O)C(O)C(F)=CF;LIIXYSBFJVNPKS-UHFFFAOYSA-N;152.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353250;MM353250;C=C(C=O)C1C(C=O)N1C;KFVBNIQSWUNYMX-UHFFFAOYSA-N;139.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353251;MM353251;C=NNC(C)CCC=O;TZYLBRMMVPFSMD-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353252;MM353252;C=CCCC(C)CO;OEIAWQSGCHQXCA-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353253;MM353253;C#CCC1(CCO)CC1;YZJOPSNZZRUQCI-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353254;MM353254;C=CC(O)CCCC;PZKFYTOLVRCMOA-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353255;MM353255;CC=C(C)C(F)C(=O)NO;WHWUIHRECZCEKH-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353256;MM353256;C=CC(=C)C(C)OC=CC;LXKRAHAJQFPROH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353257;MM353257;CNC(=O)C(F)C(F)=CF;JBPQHFOOIPQSKF-UHFFFAOYSA-N;153.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353258;MM353258;C=C(C=O)C(C)OC=CC;VEXLKTWLGFJQBA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353259;MM353259;CC(=NN)C(C)C(=N)NO;VIJYDSMISBNGPY-UHFFFAOYSA-N;144.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353260;MM353260;C=CC(=O)C(C)OC=CC;SVUISRPOQYGPAA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353261;MM353261;CC(=NO)C(C)C(=O)NN;VKADOKYMMMLGMY-UHFFFAOYSA-N;145.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353262;MM353262;CC(OC=CF)C(=O)C=O;OMKQTYLXFRNXPQ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353263;MM353263;CNC(=N)C(O)C(C)=NN;ZUZOCHNZTDJJEL-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353264;MM353264;CCC=CC(O)CC;VOGZQUBNQCQGNN-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353265;MM353265;CC(=NN)C(O)C(=N)NN;YEJIHRJVQIFTFE-UHFFFAOYSA-N;145.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353266;MM353266;C=C(C=O)C(C)OC=NO;FPZJWMLPAMZFSE-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353267;MM353267;C=C(C)C1CC(CO)C1;NIHKMZANVGKJCF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353268;MM353268;C=C(C#N)C(C)ON=CC;NUBWNNYVULKISO-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353269;MM353269;CC(=O)C1CC(CO)C1;SOMUTKZMZXIRHH-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353270;MM353270;O=CC1CC(=O)CN1;QVCYNXMONQHUCI-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353271;MM353271;CCOC(N)=CC(=O)O;CWSLWNONJMIRNT-UHFFFAOYSA-N;131.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353272;MM353272;CC=CCN(C)C(=N)C=O;LCDPURZKFKLKRD-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353273;MM353273;CC=C(C)C(C)C(=O)OC;YMZSFQKILVUUEV-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353274;MM353274;CN(CC=NO)C(=N)C=O;BBRDKOUWBZSNPX-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353275;MM353275;COC(=O)C(C)C(C)=CF;GEPNQPXFABTBSC-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353276;MM353276;C=CC(=N)N(N)CC=NN;VOYBRRPSBSFZDY-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353277;MM353277;CC=C(C)C(O)C(=O)OC;FOFGUUONPTZXGN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353278;MM353278;C=CC(=N)N(N)CC=NO;LBBFJYGXPQIZGS-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353279;MM353279;CC=C(F)C(O)C(=O)OC;NJAJBKPZLVELSY-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353280;MM353280;C=CC(=O)N(N)CC=NN;TUCPLKGBNWCGME-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353281;MM353281;COC(=O)C(O)C(F)=CF;IZGKYNLYVGETED-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353282;MM353282;C=CC(=O)N(N)CC=NO;IFQQCQDZWIBGAM-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353283;MM353283;C=NN=C1C=NC(=N)N1;YSFBHYSTLIJNGG-UHFFFAOYSA-N;123.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353284;MM353284;CC(C=O)CN1CC1;NZIBCNDAPVYKEV-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353285;MM353285;O=CNOC(=O)CC(=O)O;HFTMHBFKUMMYCV-UHFFFAOYSA-N;147.09;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353286;MM353286;CCc1c[nH]nc1N;RDCODVKTTJWFAR-UHFFFAOYSA-N;111.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353287;MM353287;O=C(O)CNC(=O)NO;KMUZEPMBBDHYBC-UHFFFAOYSA-N;134.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353288;MM353288;C=CC(=O)N(C)OC=NO;AOKBIPUGKQMQDT-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353289;MM353289;CCC(=N)N(C)C(C)=CF;FXRXDCIDGQTRDN-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353290;MM353290;C#CC(=C)C(C)CC=CC;PHCBURTYXFLMIW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353291;MM353291;C=CCC1=CC(O)CC1;KZVANAJFAXZHGM-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353292;MM353292;C#CC(=C)C(C)CC=CF;NABNPKLOXVLFLT-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353293;MM353293;C=C(CC)N(C)C(C)=NN;PTUUTYZDRPVILB-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353294;MM353294;C#CC(=O)C(C)CC=CF;ITDHXCYJVLHEJP-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353295;MM353295;O=CCC1=CC(O)CC1;BISMUEAPDXHNDZ-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353296;MM353296;C#CC(=C)C(N)CC=NO;KYOFOAIJHHKQEC-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353297;MM353297;CN=C(C)N(C)C(=N)CF;FKEZGRGVFYUYOC-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353298;MM353298;C#CC(=C)C(C)NN=CC;IHIFZKDBWPVRTB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353299;MM353299;CC=CC1CC(CO)C1;AUSRFXJDBWHMJC-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353300;MM353300;C#CC(=O)C(C)OC=CC;DKJKEYYCVGGQNN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353301;MM353301;CC(=NO)N(C)C(=O)CF;FHZCJSVYWQILIH-UHFFFAOYSA-N;148.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353302;MM353302;NN1CC2NC2C1=O;QPVJSIVHRJHVGB-UHFFFAOYSA-N;113.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353303;MM353303;NN=CC1CC(CO)C1;PCMJVCFQERMIFE-UHFFFAOYSA-N;128.18;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353304;MM353304;C=CC(C)(CC)CCO;KVIHBCYACRTTMK-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353305;MM353305;C#CC1=CCC(O)C1=C;BGTCETGJDRCPIK-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353306;MM353306;C#CC(=O)N(N)CC=NN;MUPUNJXGBQANHO-UHFFFAOYSA-N;140.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353307;MM353307;C=C(CF)N(N)C(C)=NC;ZZGXOPJEJMRVJK-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353308;MM353308;C#CC(=N)N(C)NC=NC;ZFLZUKAJCKESAL-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353309;MM353309;C=C1C(=N)NN=C1OC;IVZRBSBHCKEZKC-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353310;MM353310;C=C(C)CCC(C)CO;HRSJKOCROUMBEM-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353311;MM353311;CNc1[nH]cc(C)c1F;PUGKHNOKRAIIRT-UHFFFAOYSA-N;128.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353312;MM353312;C=C(CC=CC)C(C)CC;ICPGIGCUYPLOSN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353313;MM353313;CCC(=O)N(N)C(C)=NO;IBPIJAVWFBMWAM-UHFFFAOYSA-N;145.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353314;MM353314;C=C(CC=CF)C(C)CN;IEUYVQJUPYZOFJ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353315;MM353315;CC(=NO)N(N)C(=O)CO;MKMJMCXYTJWRES-UHFFFAOYSA-N;147.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353316;MM353316;C=C(CC=CF)C(N)CN;SUSXHSVHZPYCIH-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353317;MM353317;C=C(CN)N(O)C(C)=NC;XUSDFRQQHSWITN-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353318;MM353318;C=C(CC=CC)C(O)CN;OXDLQBVPZWCDCZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353319;MM353319;C=CCC(=C)C1CC1O;OUMGGGXTEYWRJL-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353320;MM353320;CC=CCC(=O)C(C)CF;OLEQRSDNHPVFRO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353321;MM353321;C=C(CO)N(O)C(C)=NO;RJDJSOJVAZSTPY-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353322;MM353322;CCC(O)C(=O)CC=CF;XZPZAPGODISRHJ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353323;MM353323;O=C(CC=CF)C(O)CF;WQYKCIVYEYUHOV-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353324;MM353324;C=CC=C(C)C1CC1O;RQGGAODARCKRRD-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353325;MM353325;CCC(F)C(=O)CC=CF;RVORWGKGZIFHLR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353326;MM353326;CC(=CC=O)C1CC1O;OMSHBBNSHUZIPB-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353327;MM353327;O=C(CC=NO)C(F)CF;GNLBELCMZSHLLI-UHFFFAOYSA-N;151.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353328;MM353328;CC(=NO)N(O)C(=N)CF;SJNBEFZTQBLOPF-UHFFFAOYSA-N;149.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353329;MM353329;C=C(CC=CF)C(C)NC;HIOVDDILBPUOQX-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353330;MM353330;CC1C(CCC=O)N1C;MTCYOHPHIMCFAK-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353331;MM353331;CC=CCC(=O)C(C)NC;WYJFUUXFEMVADY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353332;MM353332;CC=C(C)N(C)C(=O)NO;DRUNREOYPVNXRV-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353333;MM353333;CNC(C)C(=O)CC=CF;NSDIOXRVCWWUCR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353334;MM353334;CC(=CF)N(C)C(=O)NO;ALROLGUKIFFVLP-UHFFFAOYSA-N;148.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353335;MM353335;C=C(CC=NN)C(C)OC;XUSOCMFWHOXQQG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353336;MM353336;CC(=CF)N(N)C(=N)NN;KNSSBCDMTICVDK-UHFFFAOYSA-N;147.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353337;MM353337;C=C(CC=NO)C(C)OC;ZHUYHTXSPMSIQP-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353338;MM353338;CNC(=N)N(C)C(C)=NO;RJSCBUQKPORTPX-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353339;MM353339;CC=CNC(=N)C(C)CC;NJRDVVZPEPRQCE-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353340;MM353340;CN=C(C)N(C)C(=N)NO;YVUFOMKSAMGNHU-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353341;MM353341;CCC(N)C(=N)NC=CF;AGNQYRYSHVAKRV-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353342;MM353342;CC(=NN)N(C)C(=N)NO;UFLOYPZUUUKGKG-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353343;MM353343;CC=CNC(=N)C(N)CF;VGRBTFVHCWTYKM-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353344;MM353344;CC(C#CC#N)C(C)(C)O;IOLUVBLPGLTVOA-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353345;MM353345;CC=CNC(=N)C(O)CF;SQJKAMQKICHUAL-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353346;MM353346;C=CC(C)(O)C=CC#CC;FNPNWWWEDNQFCX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353347;MM353347;CCC1(C)C=CC(O)C1;HARUONGTQDLBKA-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353348;MM353348;CN=C(C)N(C)C(=O)NO;WEOZPGDLRXDEMY-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353349;MM353349;CC(CO)C(=O)NC=CF;OWFXMELRNYJUGR-UHFFFAOYSA-N;147.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353350;MM353350;CC(=NN)N(C)C(=O)NO;WTHXICOMTJZIHW-UHFFFAOYSA-N;146.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353351;MM353351;CC=CNC(=O)C(C)CF;IWDUOXBSADYPRK-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353352;MM353352;CN=C(C)N(N)C(=N)NC;GSQXJTIUDLGCMY-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353353;MM353353;CC(CF)C(=O)NC=CF;VVWTVYVASYBVSF-UHFFFAOYSA-N;149.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353354;MM353354;CNC(=N)N(N)C(C)=NO;OIAKFLZKIXHTBB-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353355;MM353355;CCC(O)C(=O)NC=CF;YGSIFTGOZFKEFB-UHFFFAOYSA-N;147.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353356;MM353356;CN=C(C)N(N)C(=N)NN;ZCJOYLVYTXBSSW-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353357;MM353357;CC=CNC(=O)C(O)CO;DNRNJBXYQRMIGO-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353358;MM353358;CC(=NN)N(N)C(=N)NN;AEIYZBQJGVFOGC-UHFFFAOYSA-N;145.17;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353359;MM353359;O=C(NC=CF)C(O)CF;XGPIYKBWAAFVID-UHFFFAOYSA-N;151.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353360;MM353360;CC(=NO)N(N)C(=N)NN;LZTVEOBWYFEOMW-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353361;MM353361;C=C(N=CNN)C(C)CC;NSYTVTZCSZYOOC-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353362;MM353362;CN=C(C)N(N)C(=N)NO;ZCXNRQXOKPZWBS-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353363;MM353363;C=C(NC=NC)C(C)CF;NLZLOWHAAZTDST-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353364;MM353364;CC(=NN)N(N)C(=N)NO;ZJMOJODEBPWIDM-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353365;MM353365;CC(CO)C(=N)NC=NN;SJEFYMPUXVFNCO-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353366;MM353366;CCCC1=CC(C)(O)C=C1;IHCXTYZUAIFZGU-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353367;MM353367;CCC(O)C(=N)NC=NC;GCMRKYAZCUQVEY-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353368;MM353368;C=C(C)C=CC(O)C(=C)C;ZAXXJZUHPJRVEX-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353369;MM353369;C#CC(C)=C(C)C(C)O;LMSHHWJPSCNOCV-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353370;MM353370;C=CC(O)C(C)=CC(=C)C;GVUGPDWRPKPVPR-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353371;MM353371;C=CC(O)CCCCC;VSMOENVRRABVKN-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353372;MM353372;CC1(O)CC1CC#CC#N;XMKYWCDPTRKRDB-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353373;MM353373;CC=CCCC(C)CO;PBFBDLRIIUQEIL-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353374;MM353374;CC(=NN)N(N)C(=O)NO;LGKWRCKGULGDJP-UHFFFAOYSA-N;147.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353375;MM353375;CCCC=CC(O)CC;IWHMIKIFTITXGS-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353376;MM353376;CNC(=N)N(O)C(C)=NN;OYUCJSHPBBNMAE-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353377;MM353377;CC(CO)C(=O)NC=NN;GLBYKKVULBLQPN-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353378;MM353378;CNC(=N)N(O)C(C)=NO;VSALQAANPHVYDO-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353379;MM353379;CCC(N)C(=O)NC=NO;RNBCCLXHQLBRME-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353380;MM353380;CN=C(C)N(O)C(=N)NN;ALQLQSMYTIVAGM-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353381;MM353381;NN=CNC(=O)C(O)CO;QFYSRTOGOWLZOK-UHFFFAOYSA-N;147.13;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353382;MM353382;CC(=NN)N(O)C(=N)NN;VZKDYGHJFRVJHD-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353383;MM353383;O=C(NC=NO)C(O)CO;CBQTYUHXXKCIAS-UHFFFAOYSA-N;148.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353384;MM353384;COC(=O)N(N)C(C)=CF;KSLVSMOCKBFWAA-UHFFFAOYSA-N;148.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353385;MM353385;CCC(F)C(=O)NC=NC;KLJICKOTZCTWBF-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353386;MM353386;CC(CF)=NNC(C)C=O;XJRDITGLAMKFLF-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353387;MM353387;CN=CNC(=O)C(F)CO;SUVSFTFNRNYROJ-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353388;MM353388;C=C(OC)N(C)C(C)=NC;FGPSSHVTMAQWCU-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353389;MM353389;NN=CNC(=O)C(F)CO;JUNHXAFGMJJNQY-UHFFFAOYSA-N;149.13;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353390;MM353390;CC(O)CCC(C#N)=CF;RCLHSRRQXDYTBB-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353391;MM353391;CNC(C)C(=O)NC=CF;PEAURXCDKMESTR-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353392;MM353392;CN=C(C)N(C)C(=O)OC;DMMRBHMEZGTTPH-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353393;MM353393;C=C(NC=NC)C(C)NC;GJMDMHAYSVRSIV-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353394;MM353394;C=C(OC)N(N)C(C)=NC;ROIJRFBGCFWRBI-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353395;MM353395;COC(C)C(=O)NC=CF;FXNBWBDANCCPJM-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353396;MM353396;C#CC1(CC(C)C=O)CN1;PXMBMLCHWAQHTJ-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353397;MM353397;COC(C)C(=O)NC=NN;XIWFQIPITJXSJO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353398;MM353398;CC=NNC(C)CCC=O;YECDODHLWMRLBR-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353399;MM353399;COC(C)C(=O)NC=NO;LEPUZRSZIKIUND-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353400;MM353400;COC(=N)N(O)C(C)=NO;YSADVMLOOBRIAT-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353401;MM353401;CCC(O)C=CCCF;XZQUQLZDPKFUOZ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353402;MM353402;C=CC(=C)C(C)C(C)=CF;CWUFRIMYGHHAFC-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353403;MM353403;CC1(C#N)CN1CC=O;ZZRLCOGBTPNMOF-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353404;MM353404;C=C(C=O)C(C)C(C)=CF;COLMBWSOSGTCGQ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353405;MM353405;CC(C=O)CN1CC1C;XPOYLEDWXOUKBL-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353406;MM353406;C=C(C#N)C(C)C(C)=CF;VRABXDZNLXFISF-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353407;MM353407;CC=NNC(=O)C(C)CN;IXQXJUPODNORRY-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353408;MM353408;C=CC(=C)C(C)C(F)=CF;AIORSVWPECUWOY-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353409;MM353409;CCC1=CC(O)CC1C;CWKSQVHEPHYRCG-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353410;MM353410;C=C(C=O)C(C)C(F)=CC;IXEPDHNEKICEFG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353411;MM353411;C=C(OC=CC)C(C)CC;WEOPEAKNFLXGFI-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353412;MM353412;C=CC(=O)C(C)C(C)=CC;JPOQIZUYDXOMET-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353413;MM353413;C=C(OC=CC)C(C)CO;ZUHKKIIYPFDNQE-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353414;MM353414;C=CC(=O)C(C)C(C)=CF;BBLGJCADLDKQSX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353415;MM353415;C=C(OC=CC)C(N)CO;NOLHVUSEUMYXPI-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353416;MM353416;CC=C(C)C(C)C(=O)C=O;NBKFUZRYADFCQZ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353417;MM353417;C=C(OC=CC)C(O)CC;MSWIHWJDSRVAQH-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353418;MM353418;CC=C(C)C(C)C(=O)C#N;YTHQONZVKHDFQV-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353419;MM353419;C=C(OC=CC)C(O)CO;RWGVSQOZZRVBFZ-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353420;MM353420;CC=C(F)C(C)C(=O)C=O;FPBJXVIBZHRCAD-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353421;MM353421;C=C(OC=CC)C(F)CN;KHGOKDIKOBXPCZ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353422;MM353422;C=CC(=C)C(N)C(C)=CC;BANCLXQTPCUPFQ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353423;MM353423;C=C(OC=CF)C(F)CO;FRSMUWIZPJZOLO-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353424;MM353424;C=CC(=C)C(N)C(C)=CF;VHSDWSZBQQFMIQ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353425;MM353425;CC=COC(=O)C(C)CC;IBDMMSNKNDQNMA-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353426;MM353426;CNN=CC(F)C(F)C#N;NFCBOSNGKAUOIX-UHFFFAOYSA-N;147.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353427;MM353427;CC=COC(=O)C(N)CN;QGSLJPNAPLVUBU-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353428;MM353428;C=C(C#N)C(O)C(F)=CF;WRCRPZHIXMVMKW-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353429;MM353429;CC=COC(=O)C(O)CN;MDVAEJOJCBQEOY-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353430;MM353430;C=C(C=O)C(F)C(C)=CC;SSKTWQOKMDNXJA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353431;MM353431;CC=COC(=O)C(O)CO;SZVGDCPDGYYXJS-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353432;MM353432;C=CC(=C)C(C)C(C)=NN;KXZLSWOTOXAJCA-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353433;MM353433;CC=COC(=O)C(O)CF;OYLWJLBVPBQUCI-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353434;MM353434;C=CC(=C)C(C)C(C)=NO;PPECOTHJOQUESS-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353435;MM353435;CC=COC(=O)C(F)CO;JLOISOGFYXIOTM-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353436;MM353436;C=C(C=O)C(C)C(C)=NO;QNRKRZSRMLRMOP-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353437;MM353437;C=C(C#N)C(C)C(C)=NO;OVTFAKCUNCVASZ-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353438;MM353438;CC=COC(=O)C(F)CF;LHCMBENNRAFHOO-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353439;MM353439;CC(=NO)C(C)C(=O)C=O;ADJBDLAQQJNDDR-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353440;MM353440;CC1C(=O)CNC1C=O;VXMXUOCLGHAMLO-UHFFFAOYSA-N;127.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353441;MM353441;O=C(O)COC=CF;MELMDXAGZNJOTR-UHFFFAOYSA-N;120.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353442;MM353442;C=C(OC=NO)C(C)CN;WZEYXKMNRIODNW-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353443;MM353443;CC=C(C)N(C)C(=N)C=O;VJIGDUPBMDFMAO-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353444;MM353444;C=C1C(C)C=NN1C=N;SSNFSTDMGJQDKU-UHFFFAOYSA-N;123.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353445;MM353445;CC=C(C)N(C)C(=O)C=O;BFHNNDUPFMMTMP-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353446;MM353446;C=C(OC=NO)C(N)CC;VRXWFIQSEHLIDL-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353447;MM353447;CC(=CF)N(C)C(=O)C=O;BHGCRNNLTHTKDD-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353448;MM353448;C=C(OC=NO)C(N)CN;LKDLFZJFOAMTOL-UHFFFAOYSA-N;145.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353449;MM353449;C=C(C#N)N(C)C(C)=NO;MQBZGNLNEKSBIN-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353450;MM353450;C=C(OC=NO)C(N)CO;SNHZVNYCUJQYLS-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353451;MM353451;CC(=NO)N(C)C(=N)C=O;TXRXOEWXCHKIFT-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353452;MM353452;C=C(OC=NO)C(O)CN;OLLJYDFUJNGNPU-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353453;MM353453;C#CC#CC(C)C(C)CO;JGMJQHGZCTYPHN-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353454;MM353454;C=CC(C=C)C1CC1O;RQYRPZYQLPSYRX-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353455;MM353455;C=CC(=O)N(C)C(C)=NO;XXVXQSPWGRLCLO-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353456;MM353456;C=C(OC=NO)C(O)CO;XTRNSWDGVIONHK-UHFFFAOYSA-N;147.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353457;MM353457;CC(=NO)N(C)C(=O)C#N;ZTXHYMZXXZXTEE-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353458;MM353458;C=C(OC=NO)C(O)CF;VAWLKLVBWOIKTQ-UHFFFAOYSA-N;149.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353459;MM353459;C=CC(O)C(C)C#CCC;NVNWXFZTLLDJCL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353460;MM353460;NN=COC(=O)C(O)CO;SERCWQFPRODVQX-UHFFFAOYSA-N;148.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353461;MM353461;C=CC(=O)N(N)C(C)=NC;QFBRFAAXGURIJM-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353462;MM353462;NN=COC(=O)C(O)CF;PRCZLVBRVGKZTL-UHFFFAOYSA-N;150.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353463;MM353463;C=CC(=O)N(N)C(C)=NO;CAXLOEBMLAVVKA-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353464;MM353464;NN=COC(=O)C(F)CO;VWDZQKXIZZDOJD-UHFFFAOYSA-N;150.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353465;MM353465;C=C(C=O)N(O)C(C)=NO;UDLCSHHQWHTKIY-UHFFFAOYSA-N;144.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353466;MM353466;C=C(OC=CC)C(C)NC;OIKLFQBSRBDNNY-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353467;MM353467;C#CC(=C)C(C)C(C)=CC;RAOGWTREODLMTB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353468;MM353468;CC=COC(=O)C(C)OC;RXNJXDPPXJTCFH-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353469;MM353469;C#CC(=C)C(C)C(C)=CF;PLPGITWXWRPXEG-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353470;MM353470;C=CC(C=O)N(C)N=C;HYTUXJJVQJGGBX-UHFFFAOYSA-N;126.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353471;MM353471;C#CC(=O)C(C)C(C)=CF;GXPFUTPRXOIXBA-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353472;MM353472;C=C(OC=NO)C(C)OC;IOESCYLXCHKCTM-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353473;MM353473;C#CC(=C)C(O)C(F)=CF;DJTYMBPEACXTQE-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353474;MM353474;CC=NOC(=O)C(C)CC;HMCYRXBEGSLUSR-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353475;MM353475;C#CC(=O)C(O)C(F)=CF;GLGIBELYJDEBSL-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353476;MM353476;CC=NOC(=O)C(N)CF;JPIOCYCQRQCEGH-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353477;MM353477;C#CC(=C)C(C)C(C)=NN;ZIYPQAHPVQELHJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353478;MM353478;CC=NOC(=O)C(O)CC;JZZYAUCRAONHGS-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353479;MM353479;C#CC(=C)C(C)C(C)=NO;HUWBHDVDQBDWNI-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353480;MM353480;CC=NOC(=O)C(O)CN;BMVZRPOHKSZEPE-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353481;MM353481;O=CCONC(=O)CF;CHMXAXXAOURGBB-UHFFFAOYSA-N;135.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353482;MM353482;C=Cn1ncc(NC)n1;AEXOBXWYUULFKR-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353483;MM353483;C#CC(=N)N(C)C(C)=CC;BGBFVVGCPQXSJE-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353484;MM353484;CC=NOC(=O)C(C)NC;HAUQWZGNQXFIJB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353485;MM353485;CC(CO)CCC#CC=O;NPJRVUDVYACPJU-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353486;MM353486;CC=NOC(=O)C(C)OC;IBGGDIKVRFOFQY-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353487;MM353487;C#CC(=O)N(C)C(C)=NC;JHRZVYNZDJJFSD-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353488;MM353488;CC=CCC(=N)N(C)CC;WBFPHCFIYNQXTJ-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353489;MM353489;C#CC(=C)N(N)C(C)=NC;IKZRYXGYNAPBRJ-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353490;MM353490;CC=CCC(=O)N(C)CC;MCCWWBVMLDDIDL-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353491;MM353491;C#CC(=O)N(N)C(C)=NO;HNKRLEHEIYEQRH-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353492;MM353492;CCN(C)C(=N)CC=NO;LXTREKJSOUMFLZ-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353493;MM353493;C=CC(CCO)C(=C)C=O;NFKAFZGVKMJRPB-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353494;MM353494;CC=CCC(=N)N(C)NC;BCXQTKRPSYWQQD-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353495;MM353495;C=C(C(C)=CC)C(C)CC;HAIGFVBZFPWSNY-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353496;MM353496;CC=CCC(=O)N(C)NC;XCFHGKFZQRKGBI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353497;MM353497;C=C(C(C)=CF)C(C)CC;ZUUIOAVECTWBPE-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353498;MM353498;CC=CCC(=O)N(C)OC;QWCMIRFUGLWZCW-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353499;MM353499;C=C(C(C)=CC)C(C)CN;REQYSNJYLUBHBP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353500;MM353500;CC=CNC(=N)N(N)CC;JDYDLOMFMHKADP-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353501;MM353501;C=C(C(C)=CC)C(C)CF;ZVHPVRRSODMZTG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353502;MM353502;CC=CNC(=O)N(C)CC;HNQHDVDIUZMKFG-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353503;MM353503;C=C(C(C)=CF)C(C)CF;SHWDVQQUIJFUKL-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353504;MM353504;CCN(C)C(=O)NC=CF;RNAZLALQLSMODV-UHFFFAOYSA-N;146.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353505;MM353505;C=C(C(F)=CF)C(C)CN;IEJFLNXIAYHHIW-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353506;MM353506;CCN(O)C(=N)NC=NC;JXSKDJLXZDZMKW-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353507;MM353507;C=C(C(C)=CC)C(N)CC;CWKZZLIYHINNPP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353508;MM353508;CC=CNC(=N)N(C)NC;CODSSDTXVIJEGU-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353509;MM353509;C=C(C(C)=CC)C(N)CO;NNYMDXNPTDYFMA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353510;MM353510;OCC1C=CC(F)C=C1;RDJGUENIBYNSHW-UHFFFAOYSA-N;128.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353511;MM353511;C=C(C(C)=CC)C(N)CF;LVWROMVWOYTCIA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353512;MM353512;C=CC(C)(O)CC#CCF;AABHHJPNZJNDRT-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353513;MM353513;C=C(C(F)=CC)C(N)CC;NTQSLWWCRKQOKE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353514;MM353514;C=CC(C)C=C(C)C(C)O;NTVVBAZEUFEUAE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353515;MM353515;C=C(C(F)=CC)C(N)CO;MCBUQVMSTDMDRC-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353516;MM353516;CC=CNC(=O)N(C)OC;MKUXWXPVRJQCIB-UHFFFAOYSA-N;144.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353517;MM353517;C=C(C(C)=CF)C(O)CC;ABCKVIYUXVPVDE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353518;MM353518;CN=CNC(=N)N(C)OC;CBAJVFBKTRTOBR-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353519;MM353519;C=C(C(C)=CC)C(O)CN;GXQSCDJNJGKYAK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353520;MM353520;CON(C)C(=N)NC=NN;JWVFSCLRSPOFKE-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353521;MM353521;C=C(C(C)=CF)C(F)CN;OOZLLKFYOWYTDV-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353522;MM353522;CON(C)C(=O)NC=NN;SCMIQUHBVSFRQS-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353523;MM353523;C=C(C(C)=CF)C(F)CO;JGTIXTZZHDTRJL-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353524;MM353524;CON(C)C(=O)NC=NO;DGHPUBGZPXHQCU-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353525;MM353525;C=C(C(C)=CF)C(F)CF;UDWBGOFVIQWVPD-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353526;MM353526;CCN(N)C(=O)OC=NO;GDEVBEGFJPNMQC-UHFFFAOYSA-N;147.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353527;MM353527;CC=C(C)C(=O)C(C)CC;LCPYTBGBITUWLW-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353528;MM353528;CC=NOC(=O)N(C)CC;OTHOQFNXZNOABM-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353529;MM353529;CC=C(C)C(=O)C(C)CO;SVLBNRABZSBSBO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353530;MM353530;CC=NOC(=O)N(N)CC;GKWYLDHHSIYJLM-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353531;MM353531;CC(=CF)C(=O)C(C)CF;JCAJGJGMKJWZQR-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353532;MM353532;CC=NOC(=N)N(C)NC;GMUHWGLDFWZWJO-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353533;MM353533;CC=C(C)C(=O)C(O)CC;CFATZWGZRKJGEE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353534;MM353534;C=C(CC=CF)C(C)C=O;PKCQHEDOARWQLT-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353535;MM353535;CCC(O)C(=O)C(F)=CF;VXIRYPKUYSHHAS-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353536;MM353536;CC(=CC(C)C=O)C(C)O;FAJULRLABJMMNA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353537;MM353537;CC=C(F)C(=O)C(O)CO;UODQFFGBUQTGDM-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353538;MM353538;C=C(CC=CC)C(O)C=O;BOYNAMPJHYIQAT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353539;MM353539;CC=C(C)C(=O)C(F)CC;ZYSDKGXHUUQJOA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353540;MM353540;C=CC(C)C(=O)CC=CC;FUMSPQBWSDFJHI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353541;MM353541;CC(=CF)C(=O)C(F)CO;CKMOGZLJKUAHAD-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353542;MM353542;C=CC(C)C(=O)CC=CF;YNZQVANYVCTOQN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353543;MM353543;C=C(C(C)=NN)C(C)CC;BMJDVCBVRFNNRQ-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353544;MM353544;CC=CCC(=O)C(O)C=O;SAPWVLWEUDQXOV-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353545;MM353545;CON=C(OC)OCC=O;JTBURHIDWWPRRG-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353546;MM353546;O=CC(O)C(=O)CC=CF;CSCWLNMMDIGMMR-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353547;MM353547;C=C(CC)C1CC(CO)C1;PVFCPCWJPHOMSD-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353548;MM353548;C=CC(N)C(=C)CC=NO;YSOKLTUWVBFFLV-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353549;MM353549;C=C(C(C)=CC)C(C)NC;KFNXVBBMUGXYHY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353550;MM353550;CC(C=NN(C)C)CC=O;LZFRRSKNPGHVDD-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353551;MM353551;C=C(C(C)=CF)C(C)NC;XFNFDNFSQWOHEZ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353552;MM353552;C=C(CC=NO)C(O)C#N;PGPSUCROHIFFSF-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353553;MM353553;C=C(C(F)=CC)C(C)NC;DLAWDIYDXXFMQF-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353554;MM353554;N#CC(O)C(=O)CC=NO;FEFXKGSEHLIVNE-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353555;MM353555;CC=C(C)C(=O)C(C)NC;TUUGUADUAWTERE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353556;MM353556;C=CC(C)C(=N)NC=CF;CEIHVFSAVKUNBU-UHFFFAOYSA-N;142.18;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353557;MM353557;CNC(C)C(=O)C(C)=CN;KBUNHADHBFYKSV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353558;MM353558;CCC(O)C=CCC(C)F;CAYCAWQLLDIPOD-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353559;MM353559;C=C(CF)C1CC(CO)C1;MJRYOQMSSIAGFM-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353560;MM353560;C=C(CCC#CC)C(C)O;QSYSDBSLANRMTL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353561;MM353561;CC=C(F)C(=O)N(N)CC;GHUQDFAMJLNIJM-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353562;MM353562;CC#CCC=C(C)C(C)O;LBAFDDFWJJDUDR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353563;MM353563;CCN(N)C(=O)C(F)=CF;IHJJDTKNMQSBEO-UHFFFAOYSA-N;150.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353564;MM353564;C#CCc1cnnc(=N)o1;LVMMLZUJLRKEOS-UHFFFAOYSA-N;135.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353565;MM353565;CCN(O)C(=O)C(C)=CN;BGEZARNKPMQDCH-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353566;MM353566;C=CC(=C)C1CC(CO)C1;FZLCKQKBZFNKGF-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353567;MM353567;CC=CNC(=O)C(C)C#N;JWJBXWFFUHGRNO-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353568;MM353568;C=C(C=O)C1CC(CO)C1;LMXALOSLIFCBCB-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353569;MM353569;C=CC(O)C(=O)NC=CC;ZQRUNAMUGRLSFL-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353570;MM353570;CNN(C)C(=O)C(C)=NO;MOPBMGVTSIUXEI-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353571;MM353571;CC=CNC(=O)C(O)C#N;CCPZRLWFLDYMKU-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353572;MM353572;C=C(C#N)C1CC(CO)C1;NRQJPPDNHVTXEE-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353573;MM353573;N#CC(O)C(=O)NC=CF;CSALWBCTBYKONC-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353574;MM353574;CON(C)C(=N)C(F)=CF;RLTMRZXSFQVRCL-UHFFFAOYSA-N;150.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353575;MM353575;C=CC(F)C(=O)NC=CC;GCSCASDMSQLVGJ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353576;MM353576;CON(C)C(=O)C(C)=CN;SOCDYJALMNBRJR-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353577;MM353577;C=C(NC=NC)C(C)C#N;OLVBRIWRKJYRHA-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353578;MM353578;CON(C)C(=O)C(F)=CF;LZTLHNGBHIGSNF-UHFFFAOYSA-N;151.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353579;MM353579;C=CC(C)CCC(O)C=C;REKGNIVQWHEHSZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353580;MM353580;CON(C)C(=O)C(C)=NO;SPHFTJXSLMMXOT-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353581;MM353581;C=CC(O)CCC(C)C=O;LOQDUDFDZLMBFG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353582;MM353582;C=CC(C)C(=C)C(C)=CC;WSLNTRIVKKGBNO-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353583;MM353583;C=C(CC)CCC(C)CO;YSDHYUIFZIGMRL-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353584;MM353584;C=CC(C)C(=C)C(C)=CF;VNOGYAMCKKOUKY-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353585;MM353585;CCC(=O)CCC(C)CO;NHLIYALTYIRVLS-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353586;MM353586;C=C(C(C)=CC)C(C)C=O;CBWKOSJPTGAXMW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353587;MM353587;NC(=NC=NO)C(O)C=O;FMXVLHXGYYFRPY-UHFFFAOYSA-N;145.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353588;MM353588;COC(=O)CCC(C)CO;VHPQBFVAZMJOBV-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353589;MM353589;C=C(C(C)=CC)C(C)C#N;GPGANHSILROKDY-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353590;MM353590;C=CC(C)C(=O)NC=NN;XNUGXQFHJZFTLA-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353591;MM353591;C=CC(C)C(=C)C(F)=CC;JEPLOKXXUQUSGM-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353592;MM353592;CC(C#N)C(=O)NC=NO;FXSNWRAKTHCHRY-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353593;MM353593;C=CC(C)C(=C)C(F)=CF;DZDMERFLSXQFEV-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353594;MM353594;CN=CNC(=O)C(O)C#N;KLQMLEJADUDKKZ-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353595;MM353595;C=CC(N)C(=C)C(C)=CC;JHVHXALPEGNGGG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353596;MM353596;O=CC(O)C(=O)NC=NO;BFBYQIHRCMOOOU-UHFFFAOYSA-N;146.1;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353597;MM353597;C=CC(N)C(=C)C(C)=CF;RDZMNCMQECJCJL-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353598;MM353598;N#CC(O)C(=O)NC=NO;MTAWWWBAJWTKDA-UHFFFAOYSA-N;143.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353599;MM353599;N#CC(=O)C1CC(CO)C1;BRKWVLGNPHNVBZ-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353600;MM353600;CN=CNC(=O)C(F)C#N;OINDQPYAKSWXMA-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353601;MM353601;C=C(C(C)=CC)C(O)C#N;SAAHWGFKEBEEDK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353602;MM353602;O=CC(F)C(=O)NC=NO;RBGDSQYKVGXBGT-UHFFFAOYSA-N;148.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353603;MM353603;C=CC(O)C(=C)C(F)=CC;JXLHEWZFPNVDBT-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353604;MM353604;C=C(C=O)CCC(C)CO;FDRCQEQBURZUJH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353605;MM353605;C=C(C(F)=CF)C(O)C#N;WMNOJGGLHGIHOK-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353606;MM353606;C=C(C#N)CCC(C)CO;YHIHUCZUOZLXFT-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353607;MM353607;C=CC(F)C(=C)C(C)=CC;DMTBSAZYNBHARN-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353608;MM353608;C=CC(C)C(=O)NN=CC;WEIJYUWQKCPMOI-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353609;MM353609;C=CC(F)C(=C)C(C)=CF;JBYZHJKNLQXFNE-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353610;MM353610;CC=NNC(=O)C(C)C=O;RCDZRNSUAAJHLF-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353611;MM353611;C=CC(C)C(=O)C(C)=CC;KLCXAMKASODTGE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353612;MM353612;CC=NNC(=O)C(C)C#N;HZVWKAXKJJYMPL-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353613;MM353613;C=CC(C)C(=O)C(C)=CN;ALJXLLZMGLGXEG-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353614;MM353614;CC=NNC(=O)C(O)C=O;UNHSNIVRKHZGHX-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353615;MM353615;C=CC(C)C(=O)C(C)=CF;KRZHNMYOHFUSTI-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353616;MM353616;C=CC(F)C(=O)NN=CC;UVDDDEKAGPOKQK-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353617;MM353617;CC=NNC(=O)C(F)C=O;RSZYLQIZQWCYNH-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353618;MM353618;CC=C(F)C(=O)C(C)C#N;WAZTYGAGFLSULB-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353619;MM353619;CC=NNC(=O)C(F)C#N;RZRZPSQSVFKLMU-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353620;MM353620;C=CC(O)C(=O)C(C)=CC;FXWBHUSJDXIUDP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353621;MM353621;C=CC(C)C(=C)OC=CC;AFLAZCLAVGPAOD-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353622;MM353622;CC=C(C)C(=O)C(O)C#N;XESGVVCFBJBOIB-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353623;MM353623;C=C(OC=CC)C(C)C#N;OAHHSYGSUDCBQX-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353624;MM353624;C=CC(O)C(=O)C(F)=CF;UITSWEUKOHPMJX-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353625;MM353625;C=C(OC=CF)C(C)C#N;OYMUSTSMYUHYNQ-UHFFFAOYSA-N;141.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353626;MM353626;N#CC(O)C(=O)C(F)=CN;FQLZKWFGZMBAFN-UHFFFAOYSA-N;144.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353627;MM353627;C=CC(O)C(=C)OC=CC;VFGUAKCNFTXPRC-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353628;MM353628;N#CC(O)C(=O)C(F)=CF;UNXKRRJATREBBU-UHFFFAOYSA-N;147.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353629;MM353629;C=C(OC=CC)C(O)C#N;KKLCAWLPXRKZER-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353630;MM353630;N#CC(F)C(=O)C(F)=CN;IQUVRPCJXYSZSX-UHFFFAOYSA-N;146.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353631;MM353631;C=C(OC=CF)C(O)C#N;ZPQMWBKSZMDTNZ-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353632;MM353632;C=C(C(C)=CC)N(C)C=N;JNPWFGRUIWGIPG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353633;MM353633;C=CC(C)C(=O)OC=CC;NJRJSGWGZIMVRZ-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353634;MM353634;C=C(C(F)=CF)N(C)C=N;KWYQOFKRJATVDS-UHFFFAOYSA-N;146.14;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353635;MM353635;C=C(C(C)=CC)N(N)C=N;GZOLNXWRFNYHAB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353636;MM353636;CC(C=O)C(=O)OC=CF;KIGCDGOHDHMVFE-UHFFFAOYSA-N;146.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353637;MM353637;C=C(C(C)=CC)N(N)C=O;GCBKRLVOFZYECL-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353638;MM353638;CC(C#N)C(=O)OC=CF;WKTGHPPZOPWJKB-UHFFFAOYSA-N;143.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353639;MM353639;C=C(C(F)=CC)N(N)C=O;LFRALBWQSSJWKZ-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353640;MM353640;C=CC(O)C(=O)OC=CC;NJSMHSHEQRLWAQ-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353641;MM353641;C=CN(C)C(=N)C(C)=CC;GVTJSQOXDCTWFT-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353642;MM353642;C=CC(F)C(=O)OC=CC;VSJBWTQGKVICCE-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353643;MM353643;CC(=CN)C(=N)N(C)C=O;PELRVCYJYCPEDU-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353644;MM353644;C=CC(=O)CCC(C)CO;LGNAOXCLHLHELK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353645;MM353645;CC(=CN)C(=N)N(N)C=N;JPZXXZVQRSSBIW-UHFFFAOYSA-N;141.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353646;MM353646;C=CC(O)C(=C)OC=NO;NYLVRGBXSKZWGK-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353647;MM353647;CC(=CN)C(=N)N(N)C=O;KAAXFRASDRPUHD-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353648;MM353648;C#CC(=O)CCC(C)CO;ONUAMYGOLHIURD-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353649;MM353649;CC=C(F)C(=N)N(N)C=O;AGHBGRNJAFWCIH-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353650;MM353650;C=CC(F)C(=C)OC=NO;WIEQAXRONDOANV-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353651;MM353651;C#CC(=C)C1CC(CO)C1;PBXCWTCMPUKIEV-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353652;MM353652;C=C(OC=NO)C(F)C#N;XLBUKXJHSLNDST-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353653;MM353653;CC=C(C)C1CC(CO)C1;VDYMUCIMHSSIET-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353654;MM353654;O=CC(O)C(=O)OC=NO;LAGWGDIPGXMATK-UHFFFAOYSA-N;147.09;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353655;MM353655;CC(=CF)C1CC(CO)C1;WLLACBVFFFLJDJ-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353656;MM353656;CC=NOC(=O)C(C)C=O;URBQOHSKACSUSM-UHFFFAOYSA-N;143.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353657;MM353657;C=CN(C)C(=O)C(C)=CC;QQFDDJDDDSFPIK-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353658;MM353658;C=CC(F)C(=O)ON=CC;XLGVWCPKHFDTFX-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353659;MM353659;C=CN(C)C(=O)C(C)=CF;WHHXIACCTPMELV-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353660;MM353660;OC=C1C=CC(F)=N1;MBQCVTWXRYQKFP-UHFFFAOYSA-N;113.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353661;MM353661;CC(=NN)C1CC(CO)C1;NOBOLIBFWBYJHP-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353662;MM353662;C=C(CC=CC)N(C)C=N;MJROBCIVYPUTDJ-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353663;MM353663;CN(C=O)C(=O)C(F)=CF;WXTHTMYEQAVSFI-UHFFFAOYSA-N;149.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353664;MM353664;C=C(CC=CC)N(N)C=O;PGAWCAIOLVZXIG-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353665;MM353665;C=CCC1C=CC(O)CC1;INSBAKKAJVZYFA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353666;MM353666;C=C(CC=CC)N(O)C=O;RMSQPQDYRBRKEA-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353667;MM353667;N#CCC1C=CC(O)CC1;RQZGJUDFNOJURT-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353668;MM353668;C=CN(C)C(=N)CC=CF;RKVBOQVZDARWAJ-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353669;MM353669;CC(=CF)C(=O)N(N)C=N;XHSRHRYSRSKEGN-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353670;MM353670;CN(C=N)C(=N)CC=CF;ZHSOLUADIYVQIO-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353671;MM353671;CC(=CN)C(=O)N(N)C=O;ROVOMLQRUIEWQM-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353672;MM353672;C=CN(N)C(=N)CC=CC;SQBMDJDPKUBBGR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353673;MM353673;C=CN(N)C(=O)C(F)=CC;BWJLFEUDMFITQL-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353674;MM353674;C=CN(C)C(=O)CC=CF;SOMOKRBHDZVYDK-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353675;MM353675;C=CN(N)C(=O)C(F)=CF;ILLPCGGGHSCNST-UHFFFAOYSA-N;148.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353676;MM353676;CN(C=O)C(=N)CC=NN;JKKLZIFLDNVIIT-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353677;MM353677;CC=C(F)C(=O)N(N)C=N;FVATWJXINYEYPN-UHFFFAOYSA-N;145.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353678;MM353678;CN(C=O)C(=N)CC=NO;WBIOMJOLVGWQDW-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353679;MM353679;C#CCC1C=CC(O)CC1;FZDUXFDMWBJEAD-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353680;MM353680;C=CN(N)C(=N)CC=NO;QYFMWNNPFOGHJR-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353681;MM353681;CC=C(F)C(=O)N(N)C=O;IDYGVJKZJGTVJG-UHFFFAOYSA-N;146.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353682;MM353682;CC=C(C)CCC(C)CO;ZJTKLKDIDVVBGZ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353683;MM353683;C=CN(O)C(=O)C(C)=CN;YHIPQOJVZPHDDX-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353684;MM353684;CC(=CF)CCC(C)CO;GAGHCBUMYNDKDP-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353685;MM353685;C=CN(O)C(=O)C(F)=CC;BEEGKMYAGMOPKL-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353686;MM353686;C=CN(N)C(=O)CC=NO;CUTGNBWSQGJFEX-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353687;MM353687;C=C(C(C)=NO)N(C)C=N;RCPNZQBNIHRFHT-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353688;MM353688;CC=C(F)CCC(C)CO;SBRHEITYTFGRRQ-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353689;MM353689;CC#Cc1cc(NC)no1;GUKSDMVTPMBPGH-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353690;MM353690;C=CN(O)C(=O)CC=NN;BKRFBTIOPHXCFA-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353691;MM353691;CNc1c[nH]c(N=O)c1N;SSKXDNJOFCRFBN-UHFFFAOYSA-N;140.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353692;MM353692;C=NN(C)C(=O)CC=NO;CDTDLJALAKCGKY-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353693;MM353693;CCN1C(C)C1CCC=O;QUFNNTJOLNLMCM-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353694;MM353694;C=CN(C)C(=N)NC=CF;RPQVYEAIHKVYMJ-UHFFFAOYSA-N;143.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353695;MM353695;CC1(CCO)CC1;FDVDMIVJLUCMSF-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353696;MM353696;CC=CNC(=N)N(C)C=N;BUVZOMMGYOAZCD-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353697;MM353697;C=C(C)C1CC1O;JWYGNZSLNOOLHX-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353698;MM353698;N=CN(N)C(=N)NC=CF;RZMSDJPARGTTFV-UHFFFAOYSA-N;145.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353699;MM353699;C=CCC1CC(O)C1;ISPYNQLEVMEDOX-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353700;MM353700;C=CN(O)C(=N)NC=CC;FFDBRXGHLRYIST-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353701;MM353701;CC(=NO)C(=O)N(C)C=O;JETDOUZLOCFQAU-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353702;MM353702;C=CN(C)C(=O)NC=CC;PPQNCKBQWFYCAJ-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353703;MM353703;O=C1CNC(CF)C1;WWXFFEWEPJXUHM-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353704;MM353704;CC(=NO)C(=O)N(N)C=O;TWEXDHUFSQDXIE-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353705;MM353705;CC(CO)CCC(F)=CF;RWNFNEMEHDSMAR-UHFFFAOYSA-N;150.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353706;MM353706;C=NN(C)C(=N)C(F)=CC;IKAFOJBRVBKYOO-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353707;MM353707;CC=CNC(=O)N(C)C=O;DVJPVBZPQJIXLX-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353708;MM353708;CCC(C)C1CC1O;QMFGKDZNLZGOKX-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353709;MM353709;CN(C=O)C(=O)NC=CF;QIIBQIYBURLSOU-UHFFFAOYSA-N;146.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353710;MM353710;C=NN(C)C(=N)C(F)=CF;OOXQHJSKPCJVKM-UHFFFAOYSA-N;147.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353711;MM353711;CC(CCC(C)CO)=NN;STUFNSYCXURNKP-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353712;MM353712;C=NN(C)C(=O)C(F)=CC;OXPKORHIICNTRW-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353713;MM353713;C=CC(C)C=CC(O)CC;AVVQFTYHXCBLON-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353714;MM353714;C#CC#CCC(C)(C)O;ASEMJEQGHOTCDT-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353715;MM353715;CCC(O)C=CC(C)C=O;FQAXMMXBFOVKHN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353716;MM353716;C=NN(C)C(=O)C(F)=CF;UFOHWXAWPSLGDC-UHFFFAOYSA-N;148.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353717;MM353717;C#CC1(C)C=CC(CO)C1;KPVQFLSDIIEOFB-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353718;MM353718;C=CC=NNC(C)C=O;BKCXNTASWNSOOI-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353719;MM353719;C=CN(O)C(=O)NC=CC;VIAIIEPCVKQUMD-UHFFFAOYSA-N;142.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353720;MM353720;Cc1[nH]nc(NN)c1C;CHLDKVZGPDMDDC-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353721;MM353721;N=CN(O)C(=O)NC=CF;XCBLKLBZGHTKAX-UHFFFAOYSA-N;147.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353722;MM353722;C#CC(C)C(=C)C(C)=CC;IUGBRGQXBKQKAF-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353723;MM353723;C=C(NC=NC)N(C)C=O;WNVAGDQUOBJWDJ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353724;MM353724;C#CC(C)C(=C)C(F)=CC;MWJPXSBAQUOORQ-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353725;MM353725;C#CC1(CO)CC(C=C)C1;RPMHEJDEADEFSD-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353726;MM353726;C#CC(N)C(=C)C(C)=CF;GXSYELKLVBZDKZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353727;MM353727;C=C(NC=NN)N(N)C=N;DVDUUJNICCMBLA-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353728;MM353728;C#CC(O)C(=C)C(C)=CF;XJDWYJYLGFXIGE-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353729;MM353729;C=C(NC=NO)N(O)C=O;UBGLRAURYRBZPO-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353730;MM353730;C#CC(F)C(=C)C(C)=CF;QIDUFBDKUBTAPV-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353731;MM353731;C=CN(C)C(=N)NC=NN;RZQHZOJWPNHPRX-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353732;MM353732;C#CC(O)C(=O)C(F)=CF;OLJKPPMUCLDBJX-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353733;MM353733;C=CN(C)C(=N)NC=NO;GYPUPCAICUOTNV-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353734;MM353734;C#CC(C)C(=C)C(C)=NO;IYWJGUXRXRUINO-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353735;MM353735;CN=CNC(=N)N(C)C=N;NEYLXDMRFLQMDF-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353736;MM353736;C=C(CC)C(=C)C(C)=CC;NXWCAAJZAUWOIP-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353737;MM353737;CN(C=N)C(=N)NC=NO;DVEMLXWLEKGYNV-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353738;MM353738;C=C(CC)C(=C)C(C)=CF;QXGDFMCULUFJND-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353739;MM353739;C=CN(N)C(=N)NC=NO;FTOOOHWIHWQWFR-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353740;MM353740;C=C(CN)C(=C)C(C)=CC;UWDWJLIJQDGPDP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353741;MM353741;C=C(CN)C(=C)C(C)=CF;FNBZISQOGQTRCY-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353742;MM353742;CN=CNC(=N)N(N)C=N;WCPNNMAPEOBYTD-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353743;MM353743;Nc1nnn(C=O)c1N;SIADMLDDFDGWOX-UHFFFAOYSA-N;127.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353744;MM353744;N=CN(N)C(=N)NC=NN;MDXMYXWHKZKBMG-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353745;MM353745;C=C(CC)C(=C)C(F)=CC;LUIUUQWWDBEAMD-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353746;MM353746;N=CN(N)C(=N)NC=NO;QWXXHEKEFBWRDZ-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353747;MM353747;C=C(CN)C(=C)C(F)=CC;LBWXAVGODREHNA-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353748;MM353748;C=CN(C)C(=O)NC=NN;MHALZCAMWJVDNU-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353749;MM353749;C=C(CO)C(=C)C(F)=CF;DPKWQGFKCKJLIQ-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353750;MM353750;C=CN(C)C(=O)NC=NO;ARTAYKUHLRAAKJ-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353751;MM353751;C=C(C(=O)CC)C(C)=CF;XGZLRFUTVNUSIE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353752;MM353752;C=C(C#N)CC1(CO)CC1;ANMDXGMFOUTARA-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353753;MM353753;C=C(C(=O)CO)C(C)=CC;BYRIITUQAQNUEF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353754;MM353754;CON=CC(C)=CCC=O;RBWPMZSBYXUEID-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353755;MM353755;C=C(C(=O)CF)C(C)=CC;GKQWRIOGXVBVBS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353756;MM353756;C=CC(O)CCCCCC;DWUPJMHAPOQKGJ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353757;MM353757;C=C(CC)C(=O)C(C)=CN;QVIXMBAWUHMRDG-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353758;MM353758;C=CC(O)CCCCCF;HDVGJGFLIKTSTO-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353759;MM353759;C=C(CC)C(=O)C(C)=CF;LURWNTFASNKCGR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353760;MM353760;CN(C=O)C(=O)NC=NN;WPTWVPORRDQFCH-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353761;MM353761;C=C(CO)C(=O)C(C)=CC;IMHXOGGTBSYYFO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353762;MM353762;CN(C=O)C(=O)NC=NO;YLRHZOWRJZSUKZ-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353763;MM353763;C=C(CO)C(=O)C(F)=CF;YHVUBPKOIYMTLS-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353764;MM353764;C=CC(O)CCCCC#N;MEUQURBKEFZZJV-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353765;MM353765;CCC(=O)C(=O)C(C)=CN;AMKXZADODGOEQD-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353766;MM353766;N#CCNCCC(=O)C#N;SKAQSHNCWBEQSN-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353767;MM353767;NC=C(F)C(=O)C(=O)CF;JYWRJOANJYWFFH-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353768;MM353768;CCC=CCCC(C)CO;NRPFDUVYOLKRTO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353769;MM353769;C=C(CC)C(=C)C(C)=NN;KMWIAUDFKDJYST-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353770;MM353770;N=CN(N)C(=O)NC=NO;LUAKHRZIHOJWIP-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353771;MM353771;CCCC(C)C1CC1O;LPRDLTYKPQVVGG-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353772;MM353772;CN=CNC(=O)N(N)C=O;BRWQAGRIPUQCGC-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353773;MM353773;C=C(C(=O)CC)C(C)=NO;YCLLFQPIOFWFPL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353774;MM353774;C=CN(O)C(=O)NC=NO;YBAALRRIODHNRR-UHFFFAOYSA-N;145.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353775;MM353775;C=C(C(=N)NC)C(C)=CC;SUKBPTNMHXHBIA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353776;MM353776;C=NN(C)C(=N)NC=CF;SVWVOCZWWNOXEZ-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353777;MM353777;C=C(C(=N)NC)C(F)=CF;TZRZUTSWTKVOEE-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353778;MM353778;CC(CO)CCC=CC#N;YRWPFDZBZVYWFD-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353779;MM353779;C=C(C(=O)NC)C(F)=CF;MCKIIGMGQIYYAD-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353780;MM353780;C=NN(C)C(=N)NC=NC;KCQYBXIOEPQBKQ-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353781;MM353781;C=C(C(=O)NO)C(F)=CF;PPMAXYGDHINPKG-UHFFFAOYSA-N;149.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353782;MM353782;C=NN(C)C(=O)NC=NC;AUWXENSDRHPVOK-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353783;MM353783;C#Cc1cc(NC)no1;UFQMTHADLLCNHP-UHFFFAOYSA-N;122.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353784;MM353784;CC=NNC(=N)N(C)C=N;WZDWDFBAWPWGAQ-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353785;MM353785;CNC(=O)C(=O)C(C)=CN;JWVANACPCZCJIH-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353786;MM353786;C=CN(N)C(=O)NN=CC;LAPPTRMHNOBQQK-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353787;MM353787;CC=C(F)C(=O)C(=O)NC;ATCJZBXKAWSBBN-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353788;MM353788;C=C(OC=CF)N(C)C=N;ZAHZNMGDNBPUCE-UHFFFAOYSA-N;144.15;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353789;MM353789;C=NN=CC1CC1C=O;ORVQFZPLLOMWQQ-UHFFFAOYSA-N;124.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353790;MM353790;C=C(OC=CF)N(C)C=O;UAIOXFTZLJUKSG-UHFFFAOYSA-N;145.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353791;MM353791;C=C(C(=O)NO)C(C)=NN;PKXIXWCXEZVZHJ-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353792;MM353792;C=C(OC=CC)N(N)C=N;BBPBNOAJGSDGCV-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353793;MM353793;COC(=O)C(=O)C(C)=CN;XWMROPFLNCFOPM-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353794;MM353794;C=C(OC=CC)N(N)C=O;KYKRVILCNOHOEF-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353795;MM353795;C=C(OC)C(=C)C(C)=NO;SUBVULNYKSFXGQ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353796;MM353796;C=C(OC=CF)N(N)C=O;KATSFTJDFQQPHF-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353797;MM353797;C=C(C=O)C(=C)C(C)=CC;IIZNCHMPECWNCE-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353798;MM353798;C#CC=CCCC(C)CO;QFCAFNMLYJCMNB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353799;MM353799;C=C(C#N)C(=C)C(C)=CC;OXJWSEZXTHKELJ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353800;MM353800;CCCCC=CC(O)CC;FXQKOHVMBAZJDX-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353801;MM353801;C=CC(=C)C(=C)C(F)=CC;AYGQNUADZLZTNN-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353802;MM353802;CCC(O)C=CCCCF;LCCUNKZAZJHMHA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353803;MM353803;C=CC(=C)C(=C)C(F)=CF;YXEKOBWKBZSQQL-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353804;MM353804;C=CCCC=CC(O)CC;KVRJBQOKCRJUGV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353805;MM353805;C=C(C#N)C(=C)C(F)=CC;SUSFDWGFYZPKKW-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353806;MM353806;CN(C=N)C(=O)OC=NO;QHODISQQTDPAFR-UHFFFAOYSA-N;145.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353807;MM353807;C=C(C#N)C(=C)C(F)=CF;SAKBTEIQMFRSJM-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353808;MM353808;CCC(O)C=CCCC=O;RGIDBKUINFCELT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353809;MM353809;C=CC(=O)C(=C)C(C)=CC;ILZPEEZEZSPVIN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353810;MM353810;CN(C=O)C(=O)OC=NO;IOMCDHCVTFSVQR-UHFFFAOYSA-N;146.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353811;MM353811;C=CC(=O)C(=C)C(C)=CF;FNMQIFBMCXBSNI-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353812;MM353812;C#CCCC=CC(O)CC;RSWZNWSYFWQGMO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353813;MM353813;C=C(C(=O)C=O)C(C)=CC;BLLZAYPVJKIIOR-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353814;MM353814;C=CN(C)C(=O)ON=CC;JXWHWHFBADKCPK-UHFFFAOYSA-N;142.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353815;MM353815;C=C(C(=O)C#N)C(C)=CC;UCKZHAWTVKDYAX-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353816;MM353816;C=CN(N)C(=O)ON=CC;NIVORRGCTJJAER-UHFFFAOYSA-N;143.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353817;MM353817;C=CC(=C)C(=O)C(C)=CC;PAJMSEUTYJLXCS-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353818;MM353818;C#CC(C)C(=C)CC=CC;QVPGTFDKHKDDQS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353819;MM353819;C=CC(=C)C(=O)C(C)=CN;VKBTZZAXHJNCSQ-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353820;MM353820;C#CC(N)C(=C)CC=CF;WXRBCZYWJZAZLE-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353821;MM353821;C=C(C#N)C(=O)C(C)=CC;IFVIRNWQTGDVNO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353822;MM353822;C#CC(O)C(=C)CC=CF;VZFIDYKMVLVTHX-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353823;MM353823;C=C(C=O)C(=O)C(C)=CF;XWUNIRRTVVUYOZ-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353824;MM353824;C#CC(C)C(=O)CC=CC;BTEMJRNTQVJVLE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353825;MM353825;C=C(C#N)C(=O)C(C)=CF;OHZFQYXBZBFGQZ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353826;MM353826;C#CC(C)C(=O)CC=CF;HYSKHDPPWKHTEZ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353827;MM353827;C=CC(=C)C(=O)C(F)=CN;NXBLSWNSZTZRHT-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353828;MM353828;C#CC(O)C(=O)CC=CC;SNJURGZFERAXDE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353829;MM353829;NC=C(F)C(=O)C(=O)C=O;UDKDGTWPBKCUFK-UHFFFAOYSA-N;145.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353830;MM353830;C#CC(C)C(=N)NC=CF;WWFIBGRVWHJMDG-UHFFFAOYSA-N;140.16;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353831;MM353831;N#CC(=O)C(=O)C(F)=CF;BULCQVOPROSUCA-UHFFFAOYSA-N;145.06;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353832;MM353832;CC#CCC=CC(O)CC;KPUYOWUZCCIRKA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353833;MM353833;CCC(C)(O)CC#CC#N;FGNUSYBATIAZIJ-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353834;MM353834;C#CC(O)C(=O)NC=CC;QONOCORFZCUGMG-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353835;MM353835;C=C(C(=O)C=O)C(C)=NO;BGDJCYJHIQACHV-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353836;MM353836;C#CC(O)C(=O)NC=CF;JPRROIOJOBNGLP-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353837;MM353837;C#CC(=C)C(=C)C(C)=CC;BHRPDBGWJFWFRP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353838;MM353838;C#CC(C)C(=C)N=CNN;UKTXNNDAAMCEAV-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353839;MM353839;C#CC(=C)C(=C)C(C)=CF;CYPGDCTUAGDCHC-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353840;MM353840;C#CC(N)C(=C)NC=NC;SBNHQFGUFPYQRD-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353841;MM353841;C#CC(=C)C(=C)C(F)=CC;SJVGJNTUCRJIPZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353842;MM353842;C#CC(F)C(=C)NC=NC;QXOQQIFAVPCUAG-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353843;MM353843;C#CC(=O)C(=C)C(C)=CC;DYYNLRSJISCKID-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353844;MM353844;C#CC(CCC#N)C(C)O;NONVGEHIRBBXPP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353845;MM353845;C#CC(=C)C(=O)C(C)=CC;OCMBVADUHJAVAK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353846;MM353846;C#CC(C)C(=O)NC=NO;CUUCQVPEJRYJCZ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353847;MM353847;C#CC(=O)C(=O)C(C)=CC;QDZUSPGUDRANGK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353848;MM353848;C=C(F)C(=NNC=N)OC;LOIPZOALYJRKCP-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353849;MM353849;C#CC(=O)C(=O)C(C)=CN;NZRGXPAKQGSLHH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353850;MM353850;C#CC(F)C(=O)NN=CC;LXLRAROQLXKEBL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353851;MM353851;C#CC(=O)C(=O)C(F)=CF;TXVHMHXUSVSZPL-UHFFFAOYSA-N;144.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353852;MM353852;C#CC(O)C(=C)OC=CC;BCBFTXSTEFOSOQ-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353853;MM353853;C#CC(=C)C(=C)C(C)=NN;HPAANBUXTZWNLW-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353854;MM353854;C#CC(C)C(=O)OC=CC;SKLAPGGIMZOFHT-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353855;MM353855;C#CC(=C)C(=C)C(C)=NO;HCINWOFMYIXNRF-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353856;MM353856;C#CC(N)C(=O)OC=CC;UXVKJQKBFCABHS-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353857;MM353857;C#CC(O)C(=O)OC=CC;ZQNZBKBSFZKRIK-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353858;MM353858;C#CC(=C)C(=O)C(C)=NO;QWJGJXYIJZDPKR-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353859;MM353859;C#CC(F)C(=O)OC=CC;QNDSVKUNSNBCFH-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353860;MM353860;CC=C(C)C(N)C(C)=CC;AAAZFOOELRJRRE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353861;MM353861;CC(C=O)CN1C(C)C1C;UCYOEECYZFPHFS-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353862;MM353862;CC=C(C)C(C)C(C)=NN;XDADHFGDAYYJTI-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353863;MM353863;N=CNN=c1occ(F)o1;GDRRUFNKMYQAKY-UHFFFAOYSA-N;145.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353864;MM353864;CC(=CF)C(C)C(C)=NO;VRKBNXUHPHEDAZ-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353865;MM353865;C#CC(F)C(=C)OC=NO;WMHNQMKPIYAIBD-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353866;MM353866;CC(=NO)C(C)C(F)=CF;LZSSCKBCDMVZRY-UHFFFAOYSA-N;149.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353867;MM353867;C=CC=C1C=CC2(O)CC12;FYNSAEGXPMSXAW-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353868;MM353868;CC(=NN)C(O)C(F)=CF;VBVSQEACLWOVFJ-UHFFFAOYSA-N;150.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353869;MM353869;C#CC(C)C(=O)ON=CC;JFQUVVGNZSZYHZ-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353870;MM353870;CC(=O)C(F)C(O)C(=O)O;RZOLWBWWARIWGV-UHFFFAOYSA-N;150.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353871;MM353871;C#CC(F)C(=O)ON=CC;HRABKBRYXWBWHA-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353872;MM353872;C#CCC(=N)NN=CC=O;UIGMHDWBMLIAOC-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353873;MM353873;C=C(CC)C(=C)CC=CC;XFYNUQZJLACQBF-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353874;MM353874;CC=CC(O)CC=CC#N;CKFDYUPRWOCSGP-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353875;MM353875;C=C(CN)C(=C)CC=CC;FUJGQLYWQHYJLJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353876;MM353876;CC=C(C)N(C)C(C)=NN;LUDDHBNVDNWADB-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353877;MM353877;C=C(CN)C(=C)CC=CF;JLORJRSGZLLCKZ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353878;MM353878;CCCC(O)CC#CC=O;XOESQYKDIGNIMG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353879;MM353879;C=C(CC=CF)C(=O)CC;NSKYEPFWMXFFPF-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353880;MM353880;CN=C(C)N(C)C(C)=NN;GHJRJOMTQYWNSV-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353881;MM353881;C=C(CC)C(=O)CC=CF;DPAYQQIDSYVYHV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353882;MM353882;C=C(C(C)=CC)C(C)=CC;MIOXNVFHZYHBQP-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353883;MM353883;O=C(CO)C(=O)CC=NO;BFTTYFCEPGSLBH-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353884;MM353884;C=C(C(C)=CC)C(C)=CF;JIUFUOXZOJUKFW-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353885;MM353885;O=CC=C1C=CC2(O)CC12;OSGFENWWTXIUJG-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353886;MM353886;CC=C(C)C(=O)C(C)=CN;CMTFSTFBEBTOAG-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353887;MM353887;C=C(CC=CC)C(=O)NO;FMPLWLBPXMEDJA-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353888;MM353888;CC=C(C)C(=O)C(C)=CF;VEZYOSQFFCYRFU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353889;MM353889;CC=CCC(=O)C(=O)OC;JHKZLTBVGURELF-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353890;MM353890;CC(=CN)C(=O)C(C)=CN;NLLQXFJXMKCSJX-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353891;MM353891;C=C(CO)C(=N)NC=CF;CCXCOKDKVJQJQL-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353892;MM353892;CC(=CN)C(=O)C(F)=CF;MSJWHZMUAMPWMF-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353893;MM353893;CC=Cn1ncc(NC)n1;MMWQPDIARXZOJD-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353894;MM353894;C=C(CN)C(=C)NC=NC;MQWZMIKPJUSVGO-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353895;MM353895;NC=C(F)C(=O)C(F)=CN;WIZCOSPAYHEGQA-UHFFFAOYSA-N;148.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353896;MM353896;C=C(CO)C(=C)NC=NC;YQLQJLGJLIPIIR-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353897;MM353897;C=C(C(C)=CC)C(C)=NN;VQVMRXTYVDHNGE-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353898;MM353898;C=NN1CC=C(CC=O)C1;LVKFWIPVFHQVFQ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353899;MM353899;C=C(C(C)=CF)C(C)=NN;NXDXKXCWQZASRJ-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353900;MM353900;NC(=NC=NO)C(=O)CO;KJAPTLFYXMCVBD-UHFFFAOYSA-N;145.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353901;MM353901;C=C(C(C)=CF)C(C)=NO;FAUPOGKCSGYPHY-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353902;MM353902;C=C(CC)C(=O)NC=NO;VMAZOIPSVRASOI-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353903;MM353903;CC(=CN)C(=O)C(C)=NO;JLNQWSHCANHLJT-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353904;MM353904;C=CC1CN1CC(C)C=O;VBUUHIOZXURUEO-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353905;MM353905;CCC(C)=C(C)C(C)CC;JDHYDZKHVUVOPW-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353906;MM353906;CC=CNC(=N)C(=N)NC;JOFXQYSYKFGRGZ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353907;MM353907;CCC(C)C(C)=C(C)CN;BROULOUPBRZENA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353908;MM353908;CC=CNC(=N)C(=N)NN;BTVOSOYARXOBCE-UHFFFAOYSA-N;141.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353909;MM353909;C=C(C)C(O)CC#CCC;PBLMISPMKUKJFU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353910;MM353910;N=C(NN)C(=N)NC=CF;JZSIWXLFSIBIOQ-UHFFFAOYSA-N;145.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353911;MM353911;CCC(C)C(C)=C(C)CF;CPKQGHNTKZHMIA-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353912;MM353912;C#CC1=CC(CO)CC1=C;QLQLDDNETUSMEQ-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353913;MM353913;CCC(C)=C(C)C(C)CN;WWQUIUNOAPDADP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353914;MM353914;C#CC1C(O)C1C(=C)C=C;ZPKWSSGUHBPFCL-UHFFFAOYSA-N;134.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353915;MM353915;CC(CO)=C(C)C(C)CN;FUQVBOOSEMGWJO-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353916;MM353916;NC(=NC=CF)C(=O)NO;JQOHEHCDDCIDIW-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353917;MM353917;CC(CF)=C(C)C(C)CN;HGMWYDABNCETHM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353918;MM353918;CC#CC=CC1C(C)C1O;VJNBPJQZUGVDSD-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353919;MM353919;C#CC(C)(C#C)C1CC1O;IBBJHNOYMDAXCH-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353920;MM353920;CCC1C=CC(CO)C=C1;KFXAEBRGDDTJRS-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353921;MM353921;CC(CN)=C(C)C(C)CO;MVCWKOFJIBGDCM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353922;MM353922;OCC1C=CC(CO)C=C1;QJWLXPQFPCHVOT-UHFFFAOYSA-N;140.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353923;MM353923;CCC(C)=C(C)C(C)CF;GSAXJIAQLLHEAW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353924;MM353924;NC(=NO)C(=O)NC=CF;KXGIMBCJCHBNNZ-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353925;MM353925;CC(CN)=C(C)C(C)CF;MOWJEJSVOMDFKM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353926;MM353926;C=C(N=CNN)C(=N)NC;YIHNUGCAUGAHCR-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353927;MM353927;CCC(C)C(C)=C(F)CO;LECIDMGABDSXOV-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353928;MM353928;C=C(N=CNO)C(=N)NC;YYBCLQUWIUQLKA-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353929;MM353929;CCC(C)C(C)=C(F)CF;NJSPAIMEJATMOI-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353930;MM353930;C=C(NC=NN)C(=N)NN;HUHPZJZPJJYUBL-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353931;MM353931;CCC(F)=C(C)C(C)CN;QOPCGAOOZVEGTN-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353932;MM353932;C=CC1C=CC(CO)C=C1;MCHGRSPPZOTKBR-UHFFFAOYSA-N;136.19;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353933;MM353933;CC(=C(F)CF)C(C)CN;QZOFMUHLRXWEKI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353934;MM353934;O=CC1C=CC(CO)C=C1;GGUGJFCZZREEMR-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353935;MM353935;CCC(C)=C(C)C(N)CC;NLILDZJKRLNZFH-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353936;MM353936;CN=CNC(=N)C(=N)NC;STEAJEQTLBONPU-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353937;MM353937;CN=CNC(=N)C(=N)NN;RKMXXQGQIVRGAG-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353938;MM353938;CC(CF)=C(C)C(N)CN;GJWVAYPICGCIPG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353939;MM353939;N=C(NN)C(=N)NC=NN;NLXLUIJCTLPHSG-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353940;MM353940;CCC(C)=C(C)C(N)CO;NYIBTSDKYRQZKN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353941;MM353941;N=C(NN)C(=N)NC=NO;SVKZQRWVBPJBLZ-UHFFFAOYSA-N;144.14;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353942;MM353942;CC(CN)=C(C)C(N)CO;RAICVSFIZCSQSO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353943;MM353943;N#CC1C=CC(CO)C=C1;FGZGUYAIFQHRDD-UHFFFAOYSA-N;135.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353944;MM353944;CCC(C)=C(C)C(N)CF;QWHLWDPJPOKOCF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353945;MM353945;C#CC1C=CC(CO)C=C1;MKKSXGJSHUXLPL-UHFFFAOYSA-N;134.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353946;MM353946;CC(CN)=C(C)C(N)CF;PKAUOQCSCFXLBY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353947;MM353947;C#CC1C=CN(C=N)N=C1;JWABEWDVMVWJEJ-UHFFFAOYSA-N;133.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353948;MM353948;CC(CF)=C(C)C(N)CF;CQPDJIHQVAJAOH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353949;MM353949;CC1(C)CC1CO;HCRFKZNNRFJHKW-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353950;MM353950;CC(=C(F)CN)C(N)CN;FAVPLLREMCFNQW-UHFFFAOYSA-N;147.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353951;MM353951;CN=CN=C(N)C(=O)NO;IXKWVCGDWOLIGE-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353952;MM353952;CCC(F)=C(C)C(N)CF;XZKHAIZMTNPROU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353953;MM353953;NN=CN=C(N)C(=O)NO;VXONMNCVUHZRLJ-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353954;MM353954;N#CC#CCCC1(O)CC1;QDBHBSZWMOODLT-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353955;MM353955;NC(=NC=NO)C(=O)NO;JYTFCECBTGBMMG-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353956;MM353956;CCC(O)C(C)=C(C)CN;UMDWBVGURARXOZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353957;MM353957;CC1C(C)C1CO;DOWOIXHHMHQXEE-UHFFFAOYSA-N;100.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353958;MM353958;CCC(C)=C(C)C(O)CN;CLAZMBTXEXCCTQ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353959;MM353959;C=CC(C)(C)CCO;GJLNFUBRNHEACO-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353960;MM353960;CC(CN)=C(C)C(O)CN;PDCGUQPRQBACPX-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353961;MM353961;CCC1(C)CC(O)C1;MCQHMYVTJCNEKI-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353962;MM353962;CC(CF)=C(C)C(O)CN;JBCWVTFVROWBBM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353963;MM353963;C=C1CC(O)C=C1C;MOCGPJKTKHHZFT-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353964;MM353964;CCC(C)=C(C)C(O)CO;YPZNOJRXKLDTJS-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353965;MM353965;NN=CNC(=O)C(N)=NN;QLHDMPMQECDSEI-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353966;MM353966;CC(CN)=C(C)C(O)CF;YSTILPWCBKCYGE-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353967;MM353967;NN=C(N)C(=O)NC=NO;LDAYBCROGIDTEN-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353968;MM353968;CC(=C(F)CO)C(O)CN;UHEXQUIRDQXZBP-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353969;MM353969;C=C1CC=C(C)C1O;NLAYXILDBQYXDK-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353970;MM353970;CC(=C(F)CF)C(O)CN;PWNJQQNDHNIUHB-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353971;MM353971;N#CC1CN1CC=O;FTMBGJIPLPAQIJ-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353972;MM353972;CCC(F)=C(C)C(O)CF;QTMBKEXYUBFTLE-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353973;MM353973;NC(=NO)C(=O)NC=NO;VIGRQIRJHHYXPE-UHFFFAOYSA-N;146.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353974;MM353974;CCC(F)C(C)=C(C)CN;WEEZFPWXZFZUJL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353975;MM353975;CNC(=O)C(=O)NC=NN;PGABKXFTMCRUBV-UHFFFAOYSA-N;144.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353976;MM353976;CCC(F)C(C)=C(C)CF;FTUSJHNHSBUVBG-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353977;MM353977;CNC(=O)C(=O)NC=NO;USADUJCBDFQVNZ-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353978;MM353978;CCC(C)=C(C)C(F)CN;UZFJPXGURFQHKB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353979;MM353979;NN=CNC(=O)C(=O)NN;FPRQVLVXBMUZJY-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353980;MM353980;CC(CN)=C(C)C(F)CN;BOQWPVAQEHHQGF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353981;MM353981;NNC(=O)C(=O)NC=NO;ZRYLJYNWGCIDJB-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353982;MM353982;CC(CF)=C(C)C(F)CN;LLAYEWLPOPRGIR-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353983;MM353983;C=C(OC)C(=N)NC=CF;YHCZLVUVZKRSNR-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353984;MM353984;CCC(C)=C(C)C(F)CO;HVOILYSSZKBBEE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353985;MM353985;CC=CNC(=N)C(=O)OC;DFABSOKYCQLYIJ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353986;MM353986;CC(CN)=C(C)C(F)CF;PPFHVFHEPXNMNI-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353987;MM353987;C=C(OC)C(=O)NC=CF;QHPLUCFCSJFUTB-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353988;MM353988;CC(CF)=C(C)C(F)CF;GXYSYCJQISLFNW-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353989;MM353989;CC=CC(C)(C)CCO;VBJSKULGWWODGP-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353990;MM353990;CCC(F)=C(C)C(F)CN;UQRUBDWMWGYXLO-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353991;MM353991;C=C(OC)C(=O)NC=NN;PUFPTLZRNMZWIV-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353992;MM353992;CCC(C)C(F)=C(C)CN;AUFFSYWPSCNXHT-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353993;MM353993;C=C(OC)C(=O)NC=NO;SGVKQNSDMOVZNU-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353994;MM353994;CCC(C)C(F)=C(C)CF;QODWWQQGEREKBW-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353995;MM353995;CN=CNC(=O)C(=O)OC;CDMZNDPPSNHGQN-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353996;MM353996;CCC(C)=C(F)C(C)CN;MCJWNQKYTABXEV-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353997;MM353997;COC(=O)C(=O)NC=NN;SOXYTBJDJYISNS-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353998;MM353998;CC(CF)=C(F)C(C)CN;JISUZVSORYCIRE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM353999;MM353999;COC(=O)C(=O)NC=NO;YGVRMRSXJZIOGX-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354000;MM354000;CC(CO)=C(F)C(C)CO;MFZDRTSZVREDBI-UHFFFAOYSA-N;148.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354001;MM354001;CC=NN=C(N)C(=O)CF;PTQIHNOGSHEVGX-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354002;MM354002;CC(CF)=C(F)C(C)CO;BUUBXTDSEOHJQG-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354003;MM354003;C=C(CC#N)CC(C)O;QXCMEWLEKNONDJ-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354004;MM354004;CCC(F)=C(F)C(C)CN;DBTJUMIXSVRPHV-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354005;MM354005;CC=NNC(=O)C(=O)CC;DUBNFFJCOWJHIN-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354006;MM354006;CCC(C)=C(F)C(N)CC;AICDKLFMJHSRKO-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354007;MM354007;CC=NNC(=N)C(=N)NC;VJHUBNLPXKQUJM-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354008;MM354008;CCC(N)C(F)=C(C)CF;MDOSUTFVSIZIPU-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354009;MM354009;C=NN=C(C)CC(C)=O;WAOZNQOUIPPLNY-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354010;MM354010;CC(CF)=C(F)C(N)CN;HIZAGTRRCKVADS-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354011;MM354011;C=C(OC)C(=O)NN=CC;PGDWTRAAIZOHFY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354012;MM354012;CCC(F)=C(F)C(N)CN;HGMOPHYPPNDUCS-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354013;MM354013;C=C(OC=CC)C(=O)CF;WVJKCAGUCIZPSV-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354014;MM354014;NCC(F)=C(F)C(N)CN;OBTAIUVBDGSGMN-UHFFFAOYSA-N;151.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354015;MM354015;C=C(CN)C(=O)OC=CC;MUOXLXZOPPHOOT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354016;MM354016;NCC(N)C(F)=C(F)CO;YJHQAKPIHAJFRC-UHFFFAOYSA-N;152.14;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354017;MM354017;C=C(CO)C(=O)OC=CF;NMWVYYAZCZJVMI-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354018;MM354018;CCC(C)=C(F)C(O)CC;HUXHLRYSZBACNO-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354019;MM354019;C=C(CF)C(=O)OC=CC;MAONUJINZZYIJM-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354020;MM354020;CCC(C)=C(F)C(O)CN;SDMHSNRBJYXPCL-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354021;MM354021;CC=COC(=O)C(=O)CC;KCSCAFPGKDFMRB-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354022;MM354022;CC(CF)=C(F)C(O)CN;UZLWDWJYLSBSTF-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354023;MM354023;O=C(CO)C(=O)OC=CF;FEKONBAIWSOTNW-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354024;MM354024;CCC(C)=C(F)C(O)CO;AVEYKXFJTDPAMP-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354025;MM354025;CC=COC(=O)C(=O)CF;POMNCDWHJRIJCZ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354026;MM354026;CC(CN)=C(F)C(O)CF;HYLBJYRUYAPNQK-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354027;MM354027;C#CC(C)=CC(O)CC;MFODADGKZFEGFO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354028;MM354028;CC(CF)=C(F)C(O)CF;ZSNUPWZJLLNNOU-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354029;MM354029;C=CC(C=C(C)C)CO;UNAXHUSVBMYNFL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354030;MM354030;CCC(O)C(F)=C(F)CO;VSACXBRCDGKHPN-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354031;MM354031;C=C(CO)C(=C)OC=NO;JGKILWQSWJTWRN-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354032;MM354032;NCC(O)C(F)=C(F)CO;YLCPAGAZJWCRAF-UHFFFAOYSA-N;153.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354033;MM354033;C=C(OC=NO)C(=O)CC;AUWKTXFCOJQQFF-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354034;MM354034;OCC(F)=C(F)C(O)CO;BFJNVYMQKNJEDH-UHFFFAOYSA-N;154.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354035;MM354035;C=C(OC=NO)C(=O)CO;FOIXNKQBVJEIDQ-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354036;MM354036;CCC(C)=C(F)C(F)CC;HVPYSMKKBSOWOB-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354037;MM354037;C=C(CC)C(=O)OC=NO;ZOAADERRTYONJE-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354038;MM354038;CCC(F)C(F)=C(C)CN;BCMOAPATGBXALJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354039;MM354039;C=C(CO)C(=O)OC=NO;ZPBKYVOSLBAEQM-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354040;MM354040;CCC(F)C(F)=C(C)CO;UYTNAWIPAROVAD-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354041;MM354041;C=C(OC=CC)C(=N)NC;VPWKTFPJPLJYMD-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354042;MM354042;CCC(F)C(F)=C(C)CF;UZOQTRIVZPQBIW-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354043;MM354043;C=C(OC=CF)C(=N)NC;OYSBFZWQKIVXFG-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354044;MM354044;CCC(C)=C(F)C(F)CN;FFZKSBWJBFTAHL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354045;MM354045;C=C(OC=CC)C(=N)NN;IHNSDNIIQUHSMW-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354046;MM354046;CC(CO)=C(F)C(F)CN;QNJZLTFPGNLUTN-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354047;MM354047;C=C(OC=CC)C(=N)NO;OFUDFJJLQPZJTR-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354048;MM354048;CC(CO)=C(F)C(F)CO;DPOCKCVKNVVQNT-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354049;MM354049;C=C(OC=CF)C(=N)NO;QMXWLSDYUSGJQQ-UHFFFAOYSA-N;146.12;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354050;MM354050;NCC(F)C(F)=C(F)CO;YMBLJXBDDQBTEH-UHFFFAOYSA-N;155.12;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354051;MM354051;C=C(OC=CF)C(=O)NC;NAFQRZBHTAFXGI-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354052;MM354052;CCC(C)C(C)=C(C)OC;TXUZIFSKVJNIHP-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354053;MM354053;C=CC=CC(=C)C(C)O;STYGBGBTBJAKFZ-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354054;MM354054;COC(C)=C(C)C(C)CN;RRCDSPGPBSLVOX-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354055;MM354055;C=C(OC=CC)C(=O)NO;WFPOCEVUPITGMB-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354056;MM354056;COC(C)=C(C)C(C)CF;QAYYCXFIUILXSS-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354057;MM354057;C=C(OC=CF)C(=O)NO;JZBQXRACJXCYCT-UHFFFAOYSA-N;147.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354058;MM354058;C#CCC=C(C)C(C)O;OSPZZASBVJGTKE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354059;MM354059;CCC(N)C(C)=C(C)OC;FFOLRQSCSAFNEB-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354060;MM354060;CC(C)=CC1C(C)C1O;PCAWSTKQLXNSNU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354061;MM354061;COC(C)=C(C)C(N)CN;KGVGVIPJXIQKDM-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354062;MM354062;C=C(OC=NN)C(=O)NO;LCJFDZHWMXWEFS-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354063;MM354063;COC(C)=C(F)C(O)CN;CWZXUPCDVZYVKM-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354064;MM354064;CNC(=O)C(=O)OC=NN;BJUBEZWSDVBKPD-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354065;MM354065;COC(C)=C(F)C(O)CF;XOUZGSBBEQGLFT-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354066;MM354066;CNC(=O)C(=O)OC=NO;KJPWKVKZZVCRAO-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354067;MM354067;COC(C)=C(F)C(F)CO;QMDGAYSUWWONHN-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354068;MM354068;NN=COC(=O)C(=O)NN;RJJGFYHEMKDWDO-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354069;MM354069;CCC(C)=C(C)C(C)NC;CALCGLBQZKZZKL-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354070;MM354070;NNC(=O)C(=O)OC=NO;UEBOQOBPURYRMA-UHFFFAOYSA-N;147.09;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354071;MM354071;CCC(F)=C(C)C(C)NC;FICBJTYEXGCFNP-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354072;MM354072;C=C(OC)C(=C)OC=CC;MXWSKYPLEOWORD-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354073;MM354073;CNC(C)C(C)=C(F)CF;XHRVMEHPNVVFQK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354074;MM354074;C=C(OC=CC)C(=O)OC;QRUFRJDFIGKLLE-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354075;MM354075;CCC(C)=C(C)C(C)OC;PUJGWRFWRPNATN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354076;MM354076;C=C(OC)C(=O)OC=CC;FWYZCMAHDKLFSJ-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354077;MM354077;COC(C)C(C)=C(C)CN;KRUMRWSQWNLELD-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354078;MM354078;CC=COC(=O)C(=O)OC;YQRXQHFXIDFIKM-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354079;MM354079;COC(C)C(C)=C(C)CF;ILLSYFYQVXVAKE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354080;MM354080;CC(C=O)CNCC#N;KWOPCQZDXGRLAW-UHFFFAOYSA-N;126.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354081;MM354081;COC(C)C(F)=C(C)CO;GUJHFWAOSKJNKT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354082;MM354082;C=C(OC)C(=C)OC=NO;WDHKMAJWCOXCEK-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354083;MM354083;COC(C)C(F)=C(F)CO;JKWWHKHEGYKGIF-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354084;MM354084;C=C(CF)C(=O)ON=CC;PYTNBYXPOHRZJY-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354085;MM354085;C=CC(C)=C(C)C(C)CC;DSIHSKVGYBINBE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354086;MM354086;C#CC1(C)CN1CC=O;CTDOGJQAWMLVDY-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354087;MM354087;CCC(C)C(C)=C(C)C#N;XYMOCEUSTKKNJC-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354088;MM354088;C=C(OC)C(=O)ON=CC;ARINYBKAFGZXFQ-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354089;MM354089;C=CC(C)=C(C)C(C)CN;STUFNQFDXZCWCP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354090;MM354090;C=CC(=C)C(=C)CC=CC;DZRUJUOWYQYTMR-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354091;MM354091;C=NN(C=N)CCCC=O;GFJVFSITHBTMJU-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354092;MM354092;C=CC(=C)C(=C)CC=CF;PYSFDMAXCCWBIO-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354093;MM354093;C#CC#CCC(CC)CO;KRGGBEQGYVZAAT-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354094;MM354094;C=C(C=O)C(=C)CC=CF;MWOXXRINUGMBJQ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354095;MM354095;C=CC(C)=C(C)C(C)CF;RQGGUXFXLZENDY-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354096;MM354096;C=CC(=O)C(=C)CC=CC;PCDIRDWJRAKRQF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354097;MM354097;CCC(C)C(C)=C(F)C=O;FWDSLDPMDZBXPK-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354098;MM354098;C=CC(=O)C(=C)CC=CF;CHZGAHWFGJQUQO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354099;MM354099;C=CC(C)=C(C)C(N)CC;HPCMHOLFWYNAOW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354100;MM354100;C=C(CC=CC)C(=O)C#N;UQZVENWWTNGZEN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354101;MM354101;C=CC(C)=C(C)C(N)CO;XTTAWEZESLYKBW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354102;MM354102;C=C(CC=CF)C(=O)C=O;WPGCITBPYYGUNU-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354103;MM354103;C=CC(C)=C(C)C(N)CF;POVNJRVPNCDJMZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354104;MM354104;C=CC(=C)C(=O)CC=CC;RYUMVFGWOFURCH-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354105;MM354105;C=CC(F)=C(C)C(N)CO;SPWCZRHPRAZSII-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354106;MM354106;C=CC(=C)C(=O)CC=CF;IYTLOSDFNARCKC-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354107;MM354107;C=NN(C)C1CC(C=O)C1;USCLZRPKWNJBMH-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354108;MM354108;C=C(C#N)C(=O)CC=CC;SQZPXHOXUMEDDB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354109;MM354109;CCC(O)C(C)=C(C)C=O;SDMXQYSTDPXVSU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354110;MM354110;C=C(C#N)C(=O)CC=CF;QQMNIPNBZWILIZ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354111;MM354111;CCC(O)C(C)=C(C)C#N;ADGILBQVYYUNQF-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354112;MM354112;O=CC(=O)C(=O)CC=CF;HBCCCRIEXFPKPK-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354113;MM354113;C=CC(C)=C(C)C(O)CF;BGWPCWGANWZZJX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354114;MM354114;CC#Cc1ncc(N)o1;PCUFYBSQGKJDQL-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354115;MM354115;C=CC(F)=C(C)C(O)CO;NNIWEBGDEUAPPJ-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354116;MM354116;C=CC(=C)C(=O)NC=CC;NDBFTMUBROGBIR-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354117;MM354117;C=CC(=O)C(=O)NC=CF;WPYIMRFPIMEVAI-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354118;MM354118;CC(=C(F)C=O)C(O)CO;NZJBPKNFMHVQSC-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354119;MM354119;C=C(C=O)C(N)=NC=NO;WFFXVFKNRFKSIT-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354120;MM354120;C=CC(C)=C(C)C(F)CC;DUYRZTFNYPTCCZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354121;MM354121;CCc1onc(N)c1C;NTJCFBRCIKSPMW-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354122;MM354122;CCC(F)C(C)=C(C)C=O;LHBXBQJSPDFKDR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354123;MM354123;NC(=NC=NO)C(=O)C=O;CBUUBXLXBVGDRX-UHFFFAOYSA-N;143.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354124;MM354124;C=CC(C)=C(C)C(F)CN;IMSVMQQMEMKASZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354125;MM354125;C=CC(=C)C(=O)NC=NN;PBNOFFOZZBGRQU-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354126;MM354126;CC(C#N)=C(C)C(F)CF;JKFASRRXNWWEHU-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354127;MM354127;C=CC(=C)C(=O)NC=NO;COPLUIQLYRCLHG-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354128;MM354128;CCC(C)C(N)=C(C)C=O;DGDNQWQXDSGYFT-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354129;MM354129;C=C(C#N)C(=O)NC=NC;ZGJQKVGNCXLRKR-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354130;MM354130;CCC(C)C(N)=C(C)C#N;PRKIERUITIABSP-UHFFFAOYSA-N;138.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354131;MM354131;C=C(C#N)C(=O)NC=NO;YWQUJTFFLLIVBI-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354132;MM354132;CC(C=O)=C(N)C(C)CO;IUQXXFHPZZYLOB-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354133;MM354133;COc1onc(C)c1N;VPHROGCVJCNRGU-UHFFFAOYSA-N;128.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354134;MM354134;CCC(C)C(N)=C(F)C#N;XBDOWTNFSQHFKK-UHFFFAOYSA-N;142.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354135;MM354135;C#CC(C=O)ON=CC;WBUYXLYFWRQPDL-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354136;MM354136;COC(C=O)C1NC1C#N;PJWWHWMWBVLTNM-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354137;MM354137;CC=NN=C(N)C(=O)C=O;TWLUEWYHRGCYNQ-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354138;MM354138;NC(=C(F)C=O)C(O)CO;PZLZXHAFUDTCQO-UHFFFAOYSA-N;149.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354139;MM354139;C=C(C=O)C(=O)NN=CC;YBVGNXSNJAUWQX-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354140;MM354140;N#CC(F)=C(N)C(O)CO;UGELAADDWZFFBO-UHFFFAOYSA-N;146.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354141;MM354141;C=CC(=C)C(=C)OC=CC;SZBDPUJOUHOGDL-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354142;MM354142;N#CC(F)=C(N)C(O)CF;ZLXCFPFCEMDXJT-UHFFFAOYSA-N;148.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354143;MM354143;C=CC(=O)C(=C)OC=CC;PQINNKUPHWGCCF-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354144;MM354144;C=CC(C)=C(F)C(C)CC;DNLOCPHNKVNLGX-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354145;MM354145;C=CC(=C)C(=O)OC=CC;JMQHHVFTFCQNLB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354146;MM354146;C=CC(C)=C(F)C(C)CN;CYQSBWSDIPYROA-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354147;MM354147;C=C(C#N)C(=O)OC=CC;ONXJIZPWFUYZRN-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354148;MM354148;CC(C=O)=C(F)C(C)CF;RURYFNRTEKXLRS-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354149;MM354149;C=C(C=O)C(=O)OC=CF;ZYXLBZPYDGWXJC-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354150;MM354150;C=CC(C)=C(F)C(N)CN;MPJGZOMEFZVDBA-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354151;MM354151;C=CC(=O)C(=O)OC=CC;BCRXQXGOGMITBR-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354152;MM354152;C=CC(C)=C(F)C(O)CC;IMUYMFJPVGMLSV-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354153;MM354153;C=CC(=O)C(=O)OC=CF;MPEIKMNQZNXWNA-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354154;MM354154;CCC(O)C(F)=C(C)C=O;WUPRVKLZMXYHHH-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354155;MM354155;CC=COC(=O)C(=O)C#N;JWPLMKCBUKPCOE-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354156;MM354156;CCC(O)C(F)=C(C)C#N;YMLCVLAMCXBCOZ-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354157;MM354157;C=C(C#N)C(=C)OC=NO;DPXKPSGRNIBONZ-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354158;MM354158;C=CC(C)=C(F)C(O)CO;MKNRDZPQVVTIDA-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354159;MM354159;C=CC(=O)C(=O)OC=NO;YAAFREHDIKTPRH-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354160;MM354160;CCC(O)C(F)=C(F)C=O;FOMODKOQSWNDPX-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354161;MM354161;C=CC(=C)C(=O)ON=CC;XYEMWSXCHWVRJY-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354162;MM354162;C=CC(F)=C(F)C(O)CO;OHZYVLQQWOPTKA-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354163;MM354163;C=C(C=O)C(=O)ON=CC;JAOUFWVYALZQAS-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354164;MM354164;N#CC(F)=C(F)C(O)CF;PWOQKBYXXXQYGY-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354165;MM354165;C=C(C#N)C(=O)ON=CC;HGVKZBOKNMDNID-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354166;MM354166;C=CC(C)=C(F)C(F)CN;UHMGJBDTCNZEBZ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354167;MM354167;C=CC(=O)C(=O)ON=CC;AABNFFCCRKFKTD-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354168;MM354168;CC(C=O)=C(F)C(F)CO;TVTQNDNLAZZCKT-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354169;MM354169;CC=NOC(=O)C(=O)C=O;QFTDTJPAPOBLJD-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354170;MM354170;N#CC(F)=C(F)C(F)CO;QWDLXTWIEDBRCC-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354171;MM354171;C#CC(=C)C(=C)CC=CC;XIWHMBMBOWFKSE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354172;MM354172;C=CC(C)=C(C)C(C)NC;AJAAYIMSVXAGQA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354173;MM354173;C#CC(=C)C(=O)CC=NO;ZLKDJESDSQHUIT-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354174;MM354174;CNC(C)C(C)=C(C)C#N;SWJZQTMDHICQSU-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354175;MM354175;C#CC(=C)C(=O)NC=CC;CLRSRXRTXXWWNQ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354176;MM354176;CNC(C)C(C)=C(F)C=O;YECCLZUOAHIBSA-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354177;MM354177;C#CC(=O)C(N)=NC=NO;ULMLHUAXEBUAHP-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354178;MM354178;CNC(C)C(N)=C(F)C=O;BAQFWLOSXHQTEY-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354179;MM354179;C=CC(CO)CC#CC;VPMRTDGMQSCRHH-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354180;MM354180;COC(C)C(C)=C(C)C=O;GADBZGWNEUHSGM-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354181;MM354181;C#CC(=O)C(=O)NC=NO;HBYYADOHNWZUDQ-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354182;MM354182;COC(C)C(C)=C(C)C#N;HXODXHOMSGSVHK-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354183;MM354183;C#CC=CC1C(C)C1O;WIUHTSUZFISDEE-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354184;MM354184;COC(C)C(N)=C(F)C#N;OJMRNYIJADRTCS-UHFFFAOYSA-N;144.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354185;MM354185;C#CC(=C)C(=O)NN=CC;NDNCBUUIJYLBSF-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354186;MM354186;COC(C)C(F)=C(C)C#N;MKIIJXNIXRTGRM-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354187;MM354187;C#CC(=O)C(=C)OC=CC;YRVIFTUFIIOGAH-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354188;MM354188;CCN(C)C(C)=C(C)C=O;YGVSVDMLIMSOMB-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354189;MM354189;C#CC(=C)C(=O)OC=CC;VKTJOOGLRFCXAJ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354190;MM354190;CCN(C)C(C)=C(C)C#N;QODDXFOTQJLFRG-UHFFFAOYSA-N;138.21;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354191;MM354191;C#CC(=O)C(=O)OC=CC;CUELDHJIHIFGLH-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354192;MM354192;CCN(C)C(N)=C(C)C=O;NVAQWBKHFDXWMH-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354193;MM354193;CC1=CC2C(CO)C2C1;GXSZLEAZXLEXPV-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354194;MM354194;CCN(C)C(N)=C(F)C=O;GIJABXCYJIRMQC-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354195;MM354195;C#CC(=C)C(=C)OC=NO;XVGICZMILZNUAS-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354196;MM354196;CCN(C)C(N)=C(F)C#N;IOGPYFLXCQSHNG-UHFFFAOYSA-N;143.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354197;MM354197;CC(C)(C=CC=O)CCO;JYUZSCLVXWGPAQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354198;MM354198;C#CC(C)=C(C)C(C)CC;OROGWUWQVALURB-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354199;MM354199;C#CC(=C)C(=O)ON=CC;AYRJEOHHKPDVPR-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354200;MM354200;C#CC(C)=C(C)C(C)CN;URDNVQKZMBVQIB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354201;MM354201;CC#CCC(C)C(C)CC;OBBHFLSPBKJYKK-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354202;MM354202;CC#CCC(C)C(C)CN;CHANWWDZCFIZFI-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354203;MM354203;N#CCC1NC1CCC=O;PTPVZXBXLOKRJG-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354204;MM354204;CC#CCC(C)C(N)CC;AKMLCRBAOGXLOO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354205;MM354205;C#CC(C)=C(C)C(C)CF;SHAVKQBIWDFFKK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354206;MM354206;CC#CCC(C)C(N)CN;VRFJUGGDGZHSNU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354207;MM354207;C#CC(F)=C(C)C(C)CC;SZWBHALCWDCAKC-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354208;MM354208;CC#CCC(C)C(O)CN;FGJPUSDPCZHFFK-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354209;MM354209;C#CC(C)=C(C)C(N)CC;PYYKFOFIOAPLFA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354210;MM354210;CC#CCC(N)C(C)CC;ZIGSAENBHMGDGC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354211;MM354211;C#CC(C)=C(C)C(N)CF;ITCSTQZKABQLJQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354212;MM354212;CC#CCC(N)C(N)CC;DRNWPXLERIUTTL-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354213;MM354213;C#CC(F)=C(C)C(N)CC;XNKBWMGFROTBDM-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354214;MM354214;CC#CCC(N)C(N)CF;FYRDOJUOFYDINN-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354215;MM354215;C#CC(F)=C(C)C(N)CN;RDGFLMSJHALDHE-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354216;MM354216;CC#CCC(N)C(O)CC;GMHPIVISUGONQA-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354217;MM354217;CC=CN=CNN=CC=O;CEBLKCZRRAGFKA-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354218;MM354218;CC#CCC(N)C(O)CF;BBSFUHHSVNMICN-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354219;MM354219;C#CC(F)=C(C)C(O)CN;GZKFFODHGBQNBA-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354220;MM354220;CC(C)(C=CC#N)CCO;QKYJNMZDZMMBTA-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354221;MM354221;C#CC(C)=C(C)C(F)CC;MZMKBZLBLVVJQZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354222;MM354222;CC#CCC(O)C(N)CO;KOZLYFYAOYVBMC-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354223;MM354223;C#CC(F)=C(C)C(F)CF;QUIZLVRNOKGNGN-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354224;MM354224;CC#CCC(O)C(N)CF;YMGXUZZFBULWBJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354225;MM354225;C#CC(C)=C(F)C(C)CN;FYHKBPAIVYYHMP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354226;MM354226;CC#CCC(O)C(O)CN;VHDYSDLEMAUPRY-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354227;MM354227;C#CC(C)=C(F)C(N)CN;JTOWBXQPGBJKCD-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354228;MM354228;CC#CCC(O)C(O)CF;ODVVVACUJHWRRQ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354229;MM354229;C#CC(C)=C(F)C(O)CC;WGTJVFQFXBSPDX-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354230;MM354230;CC#CCC(C)C(C)NC;IROJGJLNQXQUFO-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354231;MM354231;C#CC(C)=C(F)C(O)CN;NHYYXRDYYXHWOO-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354232;MM354232;CC#CCC(F)C(C)NC;NUVRAMFSBYIMCO-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354233;MM354233;C#CC(C)=C(F)C(O)CO;RTSHKKWHLYGRRF-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354234;MM354234;CC#CCC(C)N(C)CC;WJEOOTYHXLFYFU-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354235;MM354235;C#CC(F)=C(F)C(O)CF;BNLNGOZIMAFPHF-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354236;MM354236;CC#CCN(C)C(C)CC;CPUBDSFAIVALCM-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354237;MM354237;C#CC(C)=C(C)C(C)NC;DVNBWFVVZSITBK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354238;MM354238;CC#CCN(C)C(C)CN;UEYHCTBUVLMGSJ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354239;MM354239;C#CC(C)=C(C)C(C)OC;QMDUSCCXCLUKOB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354240;MM354240;C=CC(C)C(C)CC#CC;XKYBOVVEINPNSX-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354241;MM354241;C=CC(C)C(C)=C(C)CC;VWOCRSDQSDBHBM-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354242;MM354242;CC#CCC(C)C(C)C=O;QDXDTHGFVNAWBU-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354243;MM354243;C=CC(C)C(C)=C(C)CN;WYJSYCLUMPMZEU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354244;MM354244;C=CC(N)C(C)CC#CC;VQZGYNQGWZKMRU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354245;MM354245;C#CC(C#CC1CN1)C=O;ZCHRTZNKUSCATF-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354246;MM354246;C=C(C#CCF)CC(C)O;RUUWLNZBLPAHRO-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354247;MM354247;CCC(C)=C(C)C(C)C=O;BVVNPUJZXVWJAQ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354248;MM354248;C=CC(C)C(N)CC#CC;HRHYNIDUDYLMDH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354249;MM354249;CCC(C)=C(C)C(C)C#N;HKOBNCMKTCHVPM-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354250;MM354250;C=CC(N)C(N)CC#CC;RQVVICVLRBJXIC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354251;MM354251;OCC1CCC1;WPOPOPFNZYPKAV-UHFFFAOYSA-N;86.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354252;MM354252;CC#CCC(O)C(C)C=O;BGNGSCULCHHRDA-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354253;MM354253;CC(CO)=C(C)C(C)C#N;ZAQZTUZAPUVDGL-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354254;MM354254;CC#CCC(O)C(C)C#N;UIAWHSJCATVJTQ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354255;MM354255;C=CC(C)C(C)=C(F)CC;QPMRNUHDPVDCSB-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354256;MM354256;CC#CCC(O)C(O)C#N;SMYMMFAUAGCFSN-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354257;MM354257;CCC(F)=C(C)C(C)C=O;CLFGSPVUABPTBU-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354258;MM354258;CC#CCC(O)C(F)C=O;WMWCUWPMGXQTSQ-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354259;MM354259;CCC(F)=C(C)C(C)C#N;YZUSVPOXUQLOOE-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354260;MM354260;C=CC(C)C(F)CC#CC;UARPZKYUTZBUOW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354261;MM354261;CC(=C(F)CF)C(C)C=O;YUHAEOBNYUDKDV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354262;MM354262;C=CC(O)C(F)CC#CC;BKCNJMFXFHOXQK-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354263;MM354263;C=CC(N)C(C)=C(C)CC;QRQDKIPXGPUFTR-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354264;MM354264;CC#CCC(C)N(C)C=O;ISXHEFUDSZVTHW-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354265;MM354265;C=CC(N)C(C)=C(C)CF;HCWSXTNZDYQILS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354266;MM354266;CC#CCC(C)N(N)C=O;NCNGFJVGLWCSGP-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354267;MM354267;C=CC(N)C(C)=C(F)CN;KECWLGVZKMMMRD-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354268;MM354268;C=NN(C)C(C)CC#CC;MNOVOZRBFUWSQF-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354269;MM354269;C#CC(CF)ON=C;CQANUJVDRVLABX-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354270;MM354270;CC#CCN(C)N(C)C=O;QPVZNFVCRXWYFC-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354271;MM354271;CCC(C)=C(C)C(O)C#N;UHSBKFABWRGXPJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354272;MM354272;C#CC(C)C(C)CC#CC;ZFRLLYSMACCYMW-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354273;MM354273;CCC(F)=C(C)C(O)C#N;SBGLGKOERITBPC-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354274;MM354274;C#CC(N)C(C)CC#CC;SDWBQJIDWGZXIT-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354275;MM354275;CC(=C(F)CF)C(O)C=O;YLXZAPHFBVNFLS-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354276;MM354276;C#CC(N)C(N)CC#CC;POIHYFKMVWIQKO-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354277;MM354277;C=CC(F)C(C)=C(C)CN;OQSNMSWOELXJRF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354278;MM354278;C#CC(F)C(O)CC#CC;KXEDEGPFZIXGQX-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354279;MM354279;CCC(C)=C(C)C(F)C#N;DLAPYRVJNBAIRQ-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354280;MM354280;C=C(CC)C(C)CC#CC;QEXXIBAZUNZSKG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354281;MM354281;CC(CO)=C(C)C(F)C#N;BDGBUKUMXYMFIG-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354282;MM354282;CC=NN=C(C)CC(C)=O;ZUWBMAURNJKZGM-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354283;MM354283;CC(CF)=C(C)C(F)C=O;GDQDNLXFNIEPNL-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354284;MM354284;CC#CCC(C)C(=O)CO;ZAGPCEDAISVINS-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354285;MM354285;C=C(CN)C(N)CC#CC;LEKGKPWMUPXDSS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354286;MM354286;C=CC(F)C(C)=C(F)CC;IZVFTLDUTJINJH-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354287;MM354287;C=C(CO)C(O)CC#CC;QNSQWSJUYFIHBX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354288;MM354288;C=CC(F)C(C)=C(F)CO;KPAIENIVRYTEKV-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354289;MM354289;C=C(CO)C(F)CC#CC;SCMMFLMJTVIXKR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354290;MM354290;C=CC(C)C(F)=C(C)CN;ZKIKKKZLFURXQG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354291;MM354291;CC#CCC(O)C(=N)NC;GHSFMPHIYFBDCP-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354292;MM354292;C=CC(C)C(F)=C(C)CF;FCOZLGBDCGIZQK-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354293;MM354293;C=C(OC)C(C)CC#CC;PCMPFHXJMJJTBI-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354294;MM354294;C=CC(O)C(F)=C(C)CC;DOZFZFABZPMGIO-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354295;MM354295;CC#CCN(C)C(=N)CO;HHBXJNKOSJMHLS-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354296;MM354296;CC(CO)=C(F)C(O)C#N;QHRQZAONARGDTK-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354297;MM354297;CC#CCN(N)C(=N)CC;BHDKYYNTPYAGKP-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354298;MM354298;C=CC(O)C(F)=C(F)CC;DJBIDPSHURANEJ-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354299;MM354299;CC#CCN(C)C(=N)NN;AKWAAZYDRFIUHJ-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354300;MM354300;N#CC(O)C(F)=C(F)CF;QPUAFXGWRYLODP-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354301;MM354301;CC#CCN(C)C(=N)NO;VUTWDPMABBBJMZ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354302;MM354302;N#CC(F)C(F)=C(F)CO;OBJLNRBOMFJFKN-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354303;MM354303;CC#CCN(C)C(=O)NC;YLCJCYHKZQCNSI-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354304;MM354304;COC(C)=C(C)C(C)C#N;BYARFNTWLWBXGE-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354305;MM354305;CC#CCN(C)C(=O)NO;WIMRWADLUFBOKA-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354306;MM354306;C=CC(N)C(C)=C(C)OC;FWYAHSMBWSKCPB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354307;MM354307;CC#CCN(N)C(=N)NC;FGEDUWSGPSLETG-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354308;MM354308;C=CC(F)C(C)=C(C)OC;QAABNQQEKLLCST-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354309;MM354309;CC#CCN(O)C(=N)NC;AREVJKPVTJSJEN-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354310;MM354310;COC(C)=C(C)C(F)C=O;QAVHPCNOULZWMJ-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354311;MM354311;CC#CCN(O)C(=O)NC;XGNHWEXIWQAYOP-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354312;MM354312;C=CC(O)C(F)=C(C)OC;PNSHTKGHDNODKR-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354313;MM354313;CC#CCN(N)C(=O)OC;RRRJKCSOZISIPS-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354314;MM354314;COC(C)=C(F)C(F)C#N;UOUQFYYGTZYXEP-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354315;MM354315;C=CC(=C)C(C)CC#CC;VGPVXLDKCFEUOV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354316;MM354316;CC(CN)=C(C)N(C)C=N;BAQRGQPJXMKREY-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354317;MM354317;CC#CCC(C)C(=O)C=O;FGNYHRWKKXLSSV-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354318;MM354318;CC(CF)=C(C)N(C)C=N;FTCUKZIFDLKXBZ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354319;MM354319;C=CC(=C)C(N)CC#CC;MJQPGROPEHPLEI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354320;MM354320;CCC(C)=C(C)N(C)C=O;NNENNZFRVRGZJT-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354321;MM354321;CC#CCN(C)C(=O)C#N;OWKXSGXRXPGXJU-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354322;MM354322;CC(CN)=C(C)N(C)C=O;MODXLGWDMHLRPN-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354323;MM354323;C=CC(=O)N(N)CC#CC;GSSSBNJCQWPDNE-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354324;MM354324;CC(CF)=C(C)N(C)C=O;LIWBHSJAJTXBOQ-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354325;MM354325;CC#CCN(O)C(=N)C#N;MHAWYUFIXAKGFK-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354326;MM354326;CC(=C(F)CF)N(C)C=N;GLIGMYMHLKCLGT-UHFFFAOYSA-N;148.16;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354327;MM354327;C#CC(=N)N(C)CC#CC;UVSBRFYEQRYYFH-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354328;MM354328;C#CC(=O)N(N)CC#CC;UTPRBNDSZQRWLU-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354329;MM354329;CCC(C)=C(C)N(N)C=N;ABDWUZZJRPSUBT-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354330;MM354330;C=C(C=CC(C)=O)C(C)O;KXPGTZYYCHCDEX-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354331;MM354331;CC(CO)=C(C)N(N)C=N;CUZCAPZAOAQNQW-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354332;MM354332;C=C(CC#CC)C(C)CC;BXSDMJAZOQWULF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354333;MM354333;CCC(C)=C(C)N(N)C=O;OBXHBAWNPSYGIB-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354334;MM354334;C=C(CC#CC)C(C)CN;XXVFZSMPIJFSTA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354335;MM354335;CCC(F)=C(C)N(N)C=O;NXVLDVHUAFHGHB-UHFFFAOYSA-N;146.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354336;MM354336;C=C(F)C=CC(=C)C(C)O;BDOCWNHOEKRRQP-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354337;MM354337;CC(CN)=C(C)N(O)C=N;YQVKDBFSOVWMCP-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354338;MM354338;C=C(CC#CC)C(N)CC;IKKQKAQDGDBQTO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354339;MM354339;CCC(C)=C(C)N(O)C=O;WGIRVNFLKZYIFU-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354340;MM354340;C=C(CC#CC)C(N)CN;VTVCGAJLPQFEAS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354341;MM354341;COC(C)=C(C)N(C)C=N;RNTBYQYDBAIQEC-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354342;MM354342;C=C(CC#CC)C(N)CO;AYIVSEAXSPZWIP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354343;MM354343;COC(C)=C(C)N(C)C=O;SIKDVCBBANIERN-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354344;MM354344;CCNN=CC(C)CC=O;ZSOZUXHBAVULGK-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354345;MM354345;C=CC(C)C(C)=C(C)C=O;SDEPHNDSNUGYIN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354346;MM354346;C=C(CC#CC)C(O)CN;OOSRRJFUVXZKGL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354347;MM354347;C=CC(C)C(C)=C(C)C#N;PMJQDHNWYHMGOQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354348;MM354348;C=C(CC#CC)C(O)CO;PKZGDCIJALTHEU-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354349;MM354349;C=CC(C)=C(C)C(C)C#N;ZYSBNFFZXXHWEF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354350;MM354350;C=C(CC#CC)C(F)CC;XRCAHOFMBNWVEC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354351;MM354351;CC(C=O)=C(C)C(C)C=O;WYFNOLZERMUFHH-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354352;MM354352;CC#CCC(=O)C(O)CF;UGWYZVZISRFRLK-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354353;MM354353;CC(C#N)=C(C)C(C)C=O;XSRDCXNQKRFCEJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354354;MM354354;C=C(CC#CC)C(C)OC;IYQBGFFCJAMNSG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354355;MM354355;CC(=C(F)C#N)C(C)C#N;PRBLANMGRRSFRZ-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354356;MM354356;CC#CCC(=N)N(C)CC;KOOYFORTKKELKV-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354357;MM354357;C=CC(C)=C(C)C(N)C=C;JHVWGNFBOUAWJG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354358;MM354358;CC#CCC(=N)N(N)CC;RJKKTNNDJLOJQY-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354359;MM354359;C=CC(F)=C(C)C(N)C=C;HTBGWAXICSFXGG-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354360;MM354360;CC#CCC(=O)N(C)NC;CEGBEDFSVCUVSH-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354361;MM354361;N=Cn1ncc(N)n1;CFSQCEOGXMCYPT-UHFFFAOYSA-N;111.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354362;MM354362;C=C(CC#CC)C(C)C=O;AEHZKMPKWPNVFE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354363;MM354363;C=CC(C)=C(C)C(O)C#N;WKVXFEUHYFXLEL-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354364;MM354364;C=C(CC#CC)C(C)C#N;MFLIDCMKRZQJBE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354365;MM354365;CC(C=O)=C(C)C(O)C#N;QBUVLZQDWTZJIY-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354366;MM354366;C=CC(N)C(=C)CC#CC;BIPXACQTLBDSBO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354367;MM354367;CC(=C(F)C#N)C(O)C#N;BDZHLMHVMSVIJF-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354368;MM354368;C=NOC(C)C#CCC=O;YMYQWSFVZULOGD-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354369;MM354369;C=CC(C)=C(C)C(F)C=C;KGCKTITUGYHIEP-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354370;MM354370;C=C(CC#CC)C(O)C=O;IKLVJZIPFDSUGL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354371;MM354371;C=CC(F)C(C)=C(C)C#N;DQNRIWYAMCXOFU-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354372;MM354372;C=CC(F)C(=C)CC#CC;HOOSDFIYKWCGHT-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354373;MM354373;C=CC(C)=C(C)C(F)C=O;NKCYUPONQOQWHN-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354374;MM354374;C=C(CC#CC)C(F)C=O;XKKRRJMICWBXAF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354375;MM354375;CC(C#N)=C(C)C(F)C=O;QXVDLDABIMNEGD-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354376;MM354376;C=CC(C)C(=O)CC#CC;GZAWUHJAZORGFD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354377;MM354377;CC(C=O)=C(C)C(F)C#N;QSPDZXWVRCXOMH-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354378;MM354378;C=CC(O)C(=O)CC#CC;ANTZRKGJYXRLLK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354379;MM354379;CC(C#N)=C(C)C(F)C#N;NSBCBIMBKZIKOI-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354380;MM354380;CC#CCC(=N)N(C)C=O;HOWLLXHQMCCESL-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354381;MM354381;C=CC(F)=C(C)C(F)C=C;OBZOUPRJXOBDTG-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354382;MM354382;C=CN(C)C(=O)CC#CC;RZVXFPXDJARAHA-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354383;MM354383;C=CC(F)C(C)=C(F)C=O;ORUZENFVNPXCKH-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354384;MM354384;CC#CCC(=O)N(C)C=O;SDNAHKQNNQJEID-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354385;MM354385;C=CC(C)C(N)=C(C)C=O;NQHUYCPCGMOWFV-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354386;MM354386;CC#CCC(=O)N(N)C=O;PRRQKYHAKYXTNL-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354387;MM354387;FC(F)C#CC1CN1;BCYYXQZNZKWDCA-UHFFFAOYSA-N;117.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354388;MM354388;C=CN(O)C(=O)CC#CC;KGUPIMJZHIXLOI-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354389;MM354389;C=CC(O)C(N)=C(C)C=O;VTJQRABULATZMF-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354390;MM354390;C=NN(C)C(=N)CC#CC;OOTGXUIVNGBKKN-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354391;MM354391;N#CC(F)=C(N)C(F)C#N;DRUBECGVRMLHLE-UHFFFAOYSA-N;143.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354392;MM354392;C=C(CC)C(=C)CC#CC;UUVGPWFLDOCPAC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354393;MM354393;C=CC(C)C(F)=C(C)C=O;PXVJJKLSNJOGRM-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354394;MM354394;C=C(CN)C(=C)CC#CC;BVSFLXWGCXRRAI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354395;MM354395;C=CC(C)=C(F)C(C)C#N;VKKCGTSJJDTDJH-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354396;MM354396;C=C(CO)C(=C)CC#CC;JZTPHTMEODWLHU-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354397;MM354397;CC(C=O)=C(F)C(C)C=O;VHYDYTPMAWTEMO-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354398;MM354398;C=C(CF)C(=C)CC#CC;JPJJTVLBNOHXNK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354399;MM354399;C=CC(F)=C(F)C(C)C#N;SCYMYSRYXJURCC-UHFFFAOYSA-N;143.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354400;MM354400;C=C(CC#CC)C(=O)CC;NFTZOWFECOTKDU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354401;MM354401;C=CC(O)C(F)=C(F)C=O;KQJPZCJMOLPYPP-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354402;MM354402;C=C(CC#CC)C(=O)CO;JOHWBYMUHBQNML-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354403;MM354403;C=CC(F)=C(F)C(O)C#N;OWGGHOMCVSLDOW-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354404;MM354404;C=C(CO)C(=O)CC#CC;UHKZEKUAEARVKJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354405;MM354405;N#CC(F)=C(F)C(O)C=O;HUTHCUYJJHCOIZ-UHFFFAOYSA-N;147.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354406;MM354406;CC#CCC(=O)C(=O)CC;AHUWINNJUJWVFB-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354407;MM354407;C=CC(C)=C(C)N(C)C=O;ARCNGVJVBGRVIG-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354408;MM354408;C=C(C=CC=CC)C(C)O;RHIUJUNPYONSTM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354409;MM354409;C=CC(F)=C(C)N(C)C=O;KVRMXTQSXRXIBX-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354410;MM354410;C=C(CC#CC)C(=O)NO;MKEWSTDBLAQBKD-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354411;MM354411;C=CC(C)=C(C)N(N)C=N;JVOPPCLBIHYLHD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354412;MM354412;C=CC(=C)C(=C)CC#CC;UEPGZJXQLHABDZ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354413;MM354413;C=CC(C)=C(C)N(N)C=O;DQGBWADZHJWMAD-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354414;MM354414;C=C(CC#CC)C(=O)C=O;NACBTICMXJUXLI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354415;MM354415;C=CC(F)=C(C)N(N)C=O;QONHXJNKIAGHLE-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354416;MM354416;C=CC(=O)C(=O)CC#CC;BSERVHYSMNTVQC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354417;MM354417;C=CC(C)=C(C)N(O)C=O;KJQMTCILZZYVGX-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354418;MM354418;C#CC(=O)C(=O)CC#CC;ULGFHDYOLAIIIM-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354419;MM354419;CN1CC1CCC=O;VVUCGPAOZFTIIU-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354420;MM354420;CC(=CF)C(C)CCCN;RJBQLKWTYLDHSK-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354421;MM354421;CC(C#N)=C(N)N(O)C=N;QRWJHEDRXPAASS-UHFFFAOYSA-N;140.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354422;MM354422;CC(=CF)C(C)CCCF;MRAXMKLBNKVKDW-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354423;MM354423;C=NN(C)C(C)=C(F)C#N;ZHNHPKAPCRFVGS-UHFFFAOYSA-N;141.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354424;MM354424;CCCCC(C)C(F)=CF;DPXGIEZDYCUXDW-UHFFFAOYSA-N;148.2;3.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354425;MM354425;C=NN(C)C(N)=C(C)C=O;IFRSUTXOKHDZPI-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354426;MM354426;CC(CCCN)C(F)=CF;VDXRQNMPPQZJKA-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354427;MM354427;C#CC(C)=C(C)C(C)C=C;DQKYJHXYHBELDK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354428;MM354428;CC=C(C)C(N)CCCF;KUYABQDQBBDKFA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354429;MM354429;C#CC(C)=C(C)C(C)C=O;MVQGRVUJSQFJLU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354430;MM354430;CCCCC(N)C(C)=CF;AIRVNHBQOATAKS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354431;MM354431;C#CC(F)=C(C)C(C)C=O;HUKDCSCHTFCIML-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354432;MM354432;CC(=CF)C(O)CCCN;QPXGMSAVGNXVCL-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354433;MM354433;C#CC(F)=C(C)C(C)C#N;ULLRYFNTTNMOLG-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354434;MM354434;CC(=CF)C(O)CCCF;OWHBEQXJTOZKCX-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354435;MM354435;C#CC(C)=C(C)C(N)C=C;ZANLKGAQHIORKC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354436;MM354436;CC=C(C)C(F)CCCN;SPRQUKFNIKNLMW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354437;MM354437;C#CC(F)=C(C)C(N)C=C;QBYZQDRYCBYKKK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354438;MM354438;CC(=CF)C(F)CCCN;UHTOFERKWINCLL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354439;MM354439;C#CC(C)=C(C)C(F)C=C;MPKWHWKRJIIXHP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354440;MM354440;CC(=CF)C(F)CCCF;WGSYNBXFDHQNBQ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354441;MM354441;C#CC(C)=C(C)C(F)C#N;ITFYUVUWZURBRP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354442;MM354442;CC=C(F)C(F)CCCN;QPLSOCKZIRAJIT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354443;MM354443;C#CC(F)=C(C)C(F)C=C;RQFFJUJYDCKQDZ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354444;MM354444;CC=C(C)C(C)CCNC;NQRQDNSTEWYZFN-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354445;MM354445;C#CC(F)=C(C)C(F)C=O;ZVTFYEOROYVDKS-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354446;MM354446;CNCCC(C)C(C)=CF;COQIVQVPHUGHNO-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354447;MM354447;C#CC(C)=C(F)C(C)C=C;WLVMUGWNCRGHBV-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354448;MM354448;CC=C(F)C(C)CCNC;LCHRDZCNHNMWQW-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354449;MM354449;C#CC(F)=C(F)C(C)C#N;RAYWVGRPAJOAHM-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354450;MM354450;CC=C(C)C(N)CCNC;MHJRMEMZYAOCHG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354451;MM354451;C#CC(C)=C(F)C(O)C=C;UDQNQDJKQOPMLU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354452;MM354452;CC=C(F)C(N)CCNC;BCWIJBPLVVKTHV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354453;MM354453;C#CC(C)=C(F)C(O)C=O;OBVXNTPZLUSPEM-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354454;MM354454;CC=C(C)C(F)CCNC;MOMRBMOEDDIEGB-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354455;MM354455;C#CC(C)=C(F)C(O)C#N;LNKVKUFIHHBXJX-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354456;MM354456;CNCCC(F)C(C)=CF;MKUBSGBOPQVRSX-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354457;MM354457;C#CC(F)=C(F)C(O)C=O;RPNYHSWRBPLQIO-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354458;MM354458;CC=C(F)C(F)CCNC;CUZWJAVTZNASTH-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354459;MM354459;C#CC(F)=C(C)N(C)C=O;OIUMTRJWBHLQQS-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354460;MM354460;COCCC(O)C(F)=CF;NYORDHMGMCMVEO-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354461;MM354461;C#CC(C)=C(C)N(N)C=N;NHUPNWFASSJNSE-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354462;MM354462;CCCCC(C)C(C)=NN;SWROYDRGESCTQI-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354463;MM354463;C#CC(C)=C(C)N(N)C=O;AEWANNNBXDWJLA-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354464;MM354464;CC(=NO)C(C)CCCN;BOTMVTPVPXEANS-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354465;MM354465;C#CC(C)C(C)=C(C)CC;WHEOJRDPMZHKBY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354466;MM354466;CC(=NO)C(C)CCCF;HDUSVFUFNMPDOE-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354467;MM354467;C#CC(C)C(C)=C(C)CN;GPOVDYJDOCAQJE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354468;MM354468;CCCCC(N)C(C)=NO;MVUBPEBXOOSMHI-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354469;MM354469;C#CC(C)C(C)=C(C)CF;GPAPEKBRRWCVCO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354470;MM354470;CC(=NO)C(O)CCCN;UYDSHPIVQMXLKV-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354471;MM354471;C#CC(C)C(C)=C(F)CC;VJEOMOJJAXYDAD-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354472;MM354472;CCCCC(F)C(C)=NN;RAXZTPNFPKWHKX-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354473;MM354473;C#CC(C)C(C)=C(F)CO;CEYGKIUEAIHRFG-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354474;MM354474;C=C(C=CC=NN)C(C)O;FNGMTIFRGMPCBX-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354475;MM354475;C#CC(N)C(C)=C(C)CC;LXGINCMQYIUUQA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354476;MM354476;CCNCC(C)C(C)=CF;OURDGNRAHFZAHV-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354477;MM354477;C#CC(N)C(C)=C(C)CN;BKRPXZMUERXKFI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354478;MM354478;CC=C(C)C(N)CNCC;JFWNATKOYKMQTA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354479;MM354479;C#CC(N)C(C)=C(F)CC;DQPZBTKJURLJDD-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354480;MM354480;CCNCC(N)C(C)=CF;YLENNBRBHNDSJK-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354481;MM354481;C#CC(N)C(C)=C(F)CN;WQDFZDNLQPXVHI-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354482;MM354482;CC=C(F)C(N)CNCC;GKCWRIXEQRVTKA-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354483;MM354483;C#CC(O)C(C)=C(C)CC;CQZMEVPJGJZGEM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354484;MM354484;CC=C(C)C(F)CNCC;DYBDJFGLJMRYFP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354485;MM354485;C#CC(O)C(C)=C(C)CN;LQGSXGUXIBFAAU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354486;MM354486;CCNCC(F)C(C)=CF;KVHMKRJDSDDOOC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354487;MM354487;C#CC(O)C(C)=C(F)CC;DBNSJGHVADJIOR-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354488;MM354488;CCNCC(F)C(C)=NN;KZNYUXBHWHXDHA-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354489;MM354489;C#CC(F)C(C)=C(C)CN;IJJDQXZFUGJELG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354490;MM354490;CC=C(C)C(N)COCC;KMLVQYNJWWFCHP-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354491;MM354491;C#CC(C)C(F)=C(C)CN;DXFZYMNJEJIRCK-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354492;MM354492;CCOCC(O)C(F)=CF;BADITFYOCMMURK-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354493;MM354493;C#CC(C)C(F)=C(C)CO;BTBMLYFCNWUBSE-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354494;MM354494;CCOCC(C)C(C)=NO;LKZLXXWBNSWSQT-UHFFFAOYSA-N;145.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354495;MM354495;C#CC(O)C(F)=C(C)CO;WDDDMPXPTUHPQQ-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354496;MM354496;C=CCC#CC(C)C(C)O;DZLBNULUNHRHES-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354497;MM354497;C#CC(O)C(F)=C(C)CF;UVRRANFETVCPQV-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354498;MM354498;CC=C(C)C(C)NCCC;FYWPCXJKRXPGPA-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354499;MM354499;C#CC(F)C(F)=C(C)CF;XTHCHHFUZQAGTH-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354500;MM354500;CC=C(C)C(C)NCCN;MDXUIAOOBDCHPW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354501;MM354501;C#CC(F)C(F)=C(F)CO;YUKICDCMGVFGBW-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354502;MM354502;CC=C(C)C(C)NCCO;HVQILCDJPOZJPH-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354503;MM354503;C#CC(O)C(F)=C(C)OC;ZWJVSUUPUGMWDG-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354504;MM354504;CC=C(C)C(C)NCCF;KRUXYZZQEDLPAX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354505;MM354505;C#CC(C)C(C)=C(C)C=O;KSIFMBQTEMQUKM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354506;MM354506;CCCNC(C)C(C)=CF;BZCKZJSLAWQULV-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354507;MM354507;C#CC(C)C(C)=C(F)C=O;UJFSCHRTWKWGPX-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354508;MM354508;CC=C(F)C(C)NCCN;DIPXMZFWQQCFFG-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354509;MM354509;C#CC(N)C(C)=C(C)C=C;CTOCFHLCRFWUMX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354510;MM354510;CCCNC(C)C(C)=NO;NMBFTZZSSZHZHI-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354511;MM354511;C#CC(N)C(C)=C(F)C=C;NCNLOHSEROPXQL-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354512;MM354512;CC=C(F)C(C)OCCN;YBXQGYDLEGGFGV-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354513;MM354513;C#CC(O)C(C)=C(C)C=C;QQJSAAXAUSOTDE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354514;MM354514;CCCOC(C)C(C)=NO;USMOCNBHNYLUFF-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354515;MM354515;C#CC(O)C(C)=C(C)C#N;KHXQJAYTFYBHBY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354516;MM354516;CN=C(C)N(C)CCCO;FSSPJJSAFQYMLJ-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354517;MM354517;C#CC(F)C(C)=C(C)C#N;YUHRQDUTDIYRDR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354518;MM354518;CCCCN(C)C(C)=NN;GMCMPSDZNRHQOJ-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354519;MM354519;C#CC(C)C(N)=C(F)C=O;DGSODVFPYMRWSV-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354520;MM354520;C#CC(C)(C=CCF)CO;FOLSBNIVBDHKKS-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354521;MM354521;C#CC(O)C(N)=C(F)C#N;TWKIINIPYBNQCC-UHFFFAOYSA-N;140.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354522;MM354522;CC(=NO)N(O)CCCN;OWYSBJASPLCITF-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354523;MM354523;C#CC(F)C(N)=C(C)C=O;CMXBDLKEKYDRHS-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354524;MM354524;CNCCN(N)C(C)=NO;JGPCOQHRRJLFEW-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354525;MM354525;CC(CC=O)N1CC1;MQXDXZSREWKXRL-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354526;MM354526;CN=C(C)N(N)CCOC;HQHVIRBTDZZPQC-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354527;MM354527;C#CC(C)C(F)=C(C)C=O;CFBLCZWHLWSCJX-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354528;MM354528;C=CC=CC(O)(C=C)C=C;YCSATFFCHZSAKK-UHFFFAOYSA-N;136.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354529;MM354529;C#CC(C)C(F)=C(C)C#N;BYWSQCNBKTVTRN-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354530;MM354530;COCCN(O)C(C)=NO;GJEXZNSIFZDTOQ-UHFFFAOYSA-N;148.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354531;MM354531;C#CC(O)C(F)=C(F)C#N;GBWOYWKIHVUWAQ-UHFFFAOYSA-N;143.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354532;MM354532;CCCNN(C)C(C)=NC;VTMUOAQDMAEAAU-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354533;MM354533;C#CC(F)C(F)=C(C)C#N;CFFVPUGMRFIPAN-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354534;MM354534;CN=C(C)N(C)NCCO;PNLKNHPBOUIUPH-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354535;MM354535;C#CC(C)=C(C)C(C)C#C;VCTQAARCNADVOD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354536;MM354536;CN=C(C)N(C)NCCF;AEYHVNSUDAYBOP-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354537;MM354537;C=CC(C=C(C)CC)CO;YVIKORREZLYZLG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354538;MM354538;C#CC(C)=C(C)C(N)C#C;YXXANPVHDLAUMG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354539;MM354539;CC(=NO)N(C)OCCO;UVWJATCEVLJEOJ-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354540;MM354540;C#CC(F)=C(C)C(N)C#C;ABACEEZYFZSGEK-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354541;MM354541;N=C(C=O)NCCCC=O;UEDGVSSEKFFYBY-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354542;MM354542;C#CC(C)=C(C)C(O)C#C;GYNMFMNUTWSVEF-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354543;MM354543;CC=C(C)C(C)CCC#N;YRPNCHQMZKPMFO-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354544;MM354544;C#CC(F)=C(C)C(O)C#C;NHBKBGWYBWXQMB-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354545;MM354545;C=CCCC(N)C(F)=CC;AVLDMCAVRFVNOF-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354546;MM354546;C#CC(C)=C(C)C(F)C#C;KJZMKGJRYFIQNS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354547;MM354547;CC=C(C)C(O)CCC=O;MGYDMLFWWHTGNC-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354548;MM354548;C#CC(C)=C(F)C(C)C#C;UJLYYARKDMRZOT-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354549;MM354549;CC=C(C)C(O)CCC#N;QHENCRLVUGSJME-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354550;MM354550;C=C(CC)C(C)=C(C)CC;SRFFPTBKDSDLJF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354551;MM354551;CC(=CF)C(F)CCC=O;QFLRERPXFQCRPX-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354552;MM354552;C=C(CC)C(C)=C(C)CN;MZCQBDCARSHHPV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354553;MM354553;CC(=NO)C(C)CCC=O;FDQZGXICSKKYKV-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354554;MM354554;C=C(CC)C(C)=C(C)CF;IVJYNSXHSWMPPE-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354555;MM354555;CC=C(C)C(C)CNC=N;MNDUJXHQUIBBSM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354556;MM354556;C=C(CN)C(C)=C(C)CC;BZMPSDKSIYZQPU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354557;MM354557;CC=C(C)C(N)CNC=N;KWLJKRQPYJSAKV-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354558;MM354558;C=C(CN)C(C)=C(C)CF;SGVHVMUYUDEIJH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354559;MM354559;CC=C(C)C(N)CNC=O;YSPNQJDETOBDBW-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354560;MM354560;C=C(CO)C(C)=C(C)CC;FBZRJOVRCFEKSF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354561;MM354561;C=NNCC(C)C(C)=CC;WBJVUNGGZTXSOL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354562;MM354562;C=C(CF)C(C)=C(C)CC;CRIWZBZDOXBXNH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354563;MM354563;CCC(O)CC#CCC=O;PFPORYBROISDKJ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354564;MM354564;C=C(CF)C(C)=C(C)CN;YVSGHQMVMWGROC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354565;MM354565;NN=CNN=CN(N)C=O;DSEYWFPBJFGSDA-UHFFFAOYSA-N;144.14;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354566;MM354566;C=C(CC)C(C)=C(F)CC;PVNVREBRIFWMPZ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354567;MM354567;CC(=NN)C(C)CNC=N;WPUDHIDYBUUGRP-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354568;MM354568;C=C(CC)C(C)=C(F)CO;VNBKCPJFMFTSMZ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354569;MM354569;CC=CC(C=CCC)CO;UICYAAPUAYUAPB-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354570;MM354570;C=C(CN)C(C)=C(F)CC;GXEAOKXSYNAWDO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354571;MM354571;CC=C(C)C(N)COC=O;ASPFBEQHCWTACD-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354572;MM354572;C=C(CN)C(C)=C(F)CN;UOBWYZRQXRANFU-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354573;MM354573;C=C(CN)C(C)=C(F)CF;HLNKIZDHGYLOHC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354574;MM354574;C=COCC(O)C(F)=CF;KYMYBXFTUCCBPL-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354575;MM354575;C=C(CF)C(C)=C(F)CC;BVODUOTYAATHLR-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354576;MM354576;CC(=CF)C(F)COC=O;JJEUACDJNZBSHL-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354577;MM354577;CCC(=O)C(C)=C(C)CC;DHVKBTDLKAUIFW-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354578;MM354578;C=NOCC(N)C(C)=CC;ACWNFIYJYFERIX-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354579;MM354579;CCC(C)=C(C)C(=O)CO;UCVQRYVZJOBHOU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354580;MM354580;CCC(C)=CC1C(C)C1O;GNMISCLPXNAKPH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354581;MM354581;CCC(C)=C(C)C(=O)CF;VFWMRRVZTWCBPI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354582;MM354582;CC(=CC1C(C)C1O)CF;FGPXSONWTREVBY-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354583;MM354583;CC(CF)=C(C)C(=O)CF;AHSLOCCMGIPVKA-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354584;MM354584;N=CNN=c1occ(N)o1;SPHMNWTVCQRYMP-UHFFFAOYSA-N;142.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354585;MM354585;CCC(=O)C(C)=C(N)CC;UBOWGJHDOOWTBA-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354586;MM354586;CC=C(C)C(C)NCC#N;NHZYWTOBWFUDLP-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354587;MM354587;CCC(=O)C(C)=C(N)CO;XTUSLBAQURPIIT-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354588;MM354588;C=CCNC(C)C(C)=CF;VAMZVCGPZHTKAR-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354589;MM354589;CCC(=O)C(C)=C(N)CF;CXGABAOKPABMKC-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354590;MM354590;CC=C(F)C(C)NNC=O;VCKVJAWKOQUFEW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354591;MM354591;CCC(N)=C(C)C(=O)CF;KHOZMFRDWREPDY-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354592;MM354592;CC(NNC=N)C(F)=CF;LEWMDEMUAVTAOE-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354593;MM354593;CCC(=O)C(C)=C(F)CC;RLNOQOPXCLIDTI-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354594;MM354594;CC=C(C)C(C)OCC=O;PFCMTIFTAVIOJP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354595;MM354595;CCC(F)=C(C)C(=O)CO;HLZWZWJEBXSUNZ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354596;MM354596;CC(OCC#N)C(F)=CF;OJXDTHLWJJIFKK-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354597;MM354597;CC(C(=O)CO)=C(F)CF;KWPWCAFUGSTTGD-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354598;MM354598;CC=C(C)C(C)ONC=N;ORPHZCYUDVUOHO-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354599;MM354599;C=C(CC)C(F)=C(C)CN;QJKDCWWRJUHCSO-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354600;MM354600;CC=C(C)C(C)ONC=O;HZSHHMOHWZXLTD-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354601;MM354601;C=C(CC)C(F)=C(C)CO;JEBDXNCSNYFBMX-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354602;MM354602;C=CCCN(C)C(C)=NN;OELQQPKJNONSPH-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354603;MM354603;C=C(CN)C(F)=C(C)CF;ZGZRWUODAKGQIK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354604;MM354604;CC(=NO)N(O)CCC#N;FQVYVVGFXHTQKV-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354605;MM354605;C=C(CO)C(F)=C(C)CC;RYZNZUBMAMLHKF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354606;MM354606;C=CCNN(C)C(C)=NC;OHQUXVQJKUWXDQ-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354607;MM354607;C=C(CO)C(F)=C(C)CF;XXDDQCUMWHUHSY-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354608;MM354608;C#CC(C=O)ON=CCC;XLEDLUKDZUIXTB-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354609;MM354609;C=C(CN)C(F)=C(F)CO;SOKIRELJJJDBCE-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354610;MM354610;CC(=NO)N(C)OCC=O;MWZMILXRCVKOLC-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354611;MM354611;C=C(CO)C(F)=C(F)CO;MYKLDMDJMXQDQK-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354612;MM354612;C#CCCC(C)C(C)=CF;YEKCWDVMSZKFIA-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354613;MM354613;CCC(=O)C(F)=C(C)CC;WXZPYQBNJQDOAB-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354614;MM354614;C#CCCC(C)C(F)=CC;CLTWHEFNYTVGOB-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354615;MM354615;CCC(=O)C(F)=C(C)CO;SWZWBXKHZUXBQB-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354616;MM354616;C#CCCC(N)C(C)=CF;SNLIOIRZCSWQCD-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354617;MM354617;CCC(=O)C(F)=C(C)CF;JWEVLJUGCZAVIQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354618;MM354618;C=CC(CO)CC#CCC;QWRJRNPYOJKGPW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354619;MM354619;NC(CF)=C(F)C(=O)CO;GTKHPAOBXDEKFN-UHFFFAOYSA-N;151.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354620;MM354620;C#CCCC(F)C(C)=CF;NTLLBSNPPZEBSS-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354621;MM354621;CCC(=O)C(F)=C(F)CO;YTAZFDLVDRQPFZ-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354622;MM354622;CCc1[nH]nc(NC)c1C;ORTSYMIDMCCIEP-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354623;MM354623;O=C(CO)C(F)=C(F)CO;JIXHRRLASDLKAS-UHFFFAOYSA-N;152.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354624;MM354624;C#CCCC(O)C(C)=NO;NOXXSBLFMZRXPQ-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354625;MM354625;C=C(C=C(C)C)C(C)O;LJSYHZNUXSSHNQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354626;MM354626;C#CCNC(C)C(C)=CC;BFPXURQOFBAHBI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354627;MM354627;CNC(C)=C(F)C(=O)CO;MRBYMQSSTJULOE-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354628;MM354628;C#CCOC(C)C(F)=CC;ALSDYBAXDVNKSB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354629;MM354629;CNC(N)=C(F)C(=O)CO;PBUFIPLDHQYELZ-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354630;MM354630;C#CCOC(C)C(C)=NO;BXBLTRCODNBMGK-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354631;MM354631;CC1C=CC(CO)C1;CXJZOPJRPHVTMZ-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354632;MM354632;CNC(N)=C(F)C(=O)CF;ZWDPPZUVPQWUFG-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354633;MM354633;CC1=CC(CO)CC1;LJAKZSIUBBXCMS-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354634;MM354634;C=C(CC)C(C)=C(C)OC;WYGTWOQTERYSKN-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354635;MM354635;C#CCON(C)C(C)=NC;RSKDALDWUZIKQB-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354636;MM354636;C=C(CF)C(C)=C(C)OC;FBHZBAVOUJVPOY-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354637;MM354637;C=C(CCCN)C(C)=CC;PSMWEUQEPWMEDE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354638;MM354638;CCC(=O)C(F)=C(N)OC;KTBGQXPNRBRGPN-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354639;MM354639;C=C(CCCN)C(C)=CF;MRDYDYPJAAGYGZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354640;MM354640;COC(N)=C(F)C(=O)CO;IJEXIWNFGZKOAJ-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354641;MM354641;C=C1CCC(=C)C1O;IMJFLDZWUJXWDD-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354642;MM354642;CNC(=N)C(C)=C(C)CF;OKLBKLOYJYPIDI-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354643;MM354643;C=C(CCCF)C(C)=CF;BTKFDKVZWMYHNO-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354644;MM354644;CCC(C)=C(C)C(=N)NN;SFQQUMCPVPLQSB-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354645;MM354645;C=C(CCCN)C(F)=CC;ZRBBTWXRGWGVOG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354646;MM354646;CC(CO)=C(C)C(=N)NN;YAZPLLCNUCWHME-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354647;MM354647;C#CCC(C)(C#C)CO;ZXFPXOOYWZZPLI-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354648;MM354648;CCC(C)=C(C)C(=N)NO;ZZQOJIJCIJYSDN-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354649;MM354649;CC=C(C)C(=O)CCCC;AUZOXMRKEUMQSH-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354650;MM354650;CC(CO)=C(C)C(=N)NO;WYIUJTXNBBQGJG-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354651;MM354651;CC=C(C)C(=O)CCCF;UICZPVOSSJYTTG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354652;MM354652;CCC(N)=C(C)C(=N)NC;LKCBHWOVIMVTLP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354653;MM354653;CCCCC(=O)C(C)=CN;NCEVRBHLWRWDJV-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354654;MM354654;CC(C(=N)NO)=C(N)CN;WIQFQLGMBDRKAS-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354655;MM354655;CCCCC(=O)C(C)=CF;CGZLNJIYVOFGEH-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354656;MM354656;CCC(F)=C(C)C(=N)NC;HHLXNYRGJBMLGC-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354657;MM354657;CC(=CF)C(=O)CCCF;MOJCZTGCMKHION-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354658;MM354658;CNC(=N)C(C)=C(F)CO;OZTLPZWUYFJQPD-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354659;MM354659;CC=C(F)C(=O)CCCF;BGYXYORMSWBXPO-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354660;MM354660;CC(C(=N)NN)=C(F)CF;NBTMBBSUCGXVQY-UHFFFAOYSA-N;149.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354661;MM354661;CCCCC(=O)C(F)=CN;SNCOJVDZKQXNDZ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354662;MM354662;CC#CC1(C)CC(O)C1;BANXVMDKAGZSAL-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354663;MM354663;O=C(CCCO)C(F)=CF;QQVFSARVECXEHS-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354664;MM354664;C#CC1(CC)CC(O)C1;BJWYGMQJHBRCTA-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354665;MM354665;C=C(CCNC)C(C)=CC;OYUMEGFHEIYASP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354666;MM354666;C=C(C)C(O)CC#CC;TYYJDVIWDXQUQH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354667;MM354667;C=C(CCNC)C(F)=CC;MZBCQPMVDAZYHL-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354668;MM354668;CCC(C)=C(C)C(=O)NO;QUNODHPRXWXBFV-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354669;MM354669;CC=C(C)C(=O)CCNC;FKFJZWZONXFDID-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354670;MM354670;CC(CN)=C(C)C(=O)NO;BQRBFURHRLSJHA-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354671;MM354671;CNCCC(=O)C(C)=CN;QBQHYXYVLKPHIW-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354672;MM354672;C=C(C#CC)C(C)CO;RNWOYTLPFXPMSF-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354673;MM354673;CC=C(F)C(=O)CCNC;HPHLXMXEMHGINI-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354674;MM354674;CC(C(=O)NO)=C(N)CO;TURUEHRTDVXLLJ-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354675;MM354675;CC=C(C)C(=O)CCOC;AXGZOZXDRFEPDW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354676;MM354676;C#CC1=CC(=C)C(O)C1;WKTVJPFREQIUAJ-UHFFFAOYSA-N;120.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354677;MM354677;C=C(CCCC)C(C)=NN;FHQROLVBTFFEJQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354678;MM354678;C=NN=C1N=CC(=N)N1;LOJOQKHALXLUIZ-UHFFFAOYSA-N;123.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354679;MM354679;CC=C(C)C(=O)CNCC;OTFPNVVZOPVKKI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354680;MM354680;CCC(C)=C(F)C(=O)NN;ZXXJJQMBEVMCER-UHFFFAOYSA-N;146.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354681;MM354681;C=C(CNCC)C(C)=NN;BIOBZQYWJSKHOD-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354682;MM354682;CCC(C)=C(F)C(=O)NO;PRMUEEKMGRGIIY-UHFFFAOYSA-N;147.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354683;MM354683;C=C(CNCC)C(C)=NO;ZRJTWLKXCJQAPD-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354684;MM354684;CCC(N)=C(F)C(=O)NC;BLDRMIYOVGYXAV-UHFFFAOYSA-N;146.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354685;MM354685;C=C(COCC)C(C)=CC;PAIYPFDDSSFEDF-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354686;MM354686;CNC(=O)C(F)=C(N)CN;DIVIBZNUYQGUOU-UHFFFAOYSA-N;147.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354687;MM354687;NC(CF)=C(F)C(=O)NO;BXXJRUCHBOVJOQ-UHFFFAOYSA-N;152.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354688;MM354688;CC=C(C)C(=N)NCCC;SADXYPSFWXDSSA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354689;MM354689;CNC(=O)C(F)=C(F)CF;LDLXDOIAPGPAKT-UHFFFAOYSA-N;153.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354690;MM354690;CCCNC(=N)C(C)=CN;JUKPOKQZFQHWGB-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354691;MM354691;CNC(C)=C(C)C(=N)NN;NBQGMHLJVFNJTR-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354692;MM354692;CC(=CN)C(=N)NCCO;KYLWDGHUQPYWCM-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354693;MM354693;CNC(N)=C(C)C(=N)NN;ARZXCBLVUUVTMR-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354694;MM354694;CC(=CN)C(=N)NCCF;ZUZOXVHDXNCPFI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354695;MM354695;CNC(N)=C(C)C(=N)NO;MKIQHSKWKHEXEC-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354696;MM354696;CC1C(CO)CC1(C)C;KTVIDQXJPJEWKU-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354697;MM354697;C#CCc1cc(N)no1;UEVPOXKRNYSLQV-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354698;MM354698;NC=C(F)C(=O)NCCO;DAGZYKUGXAHSGH-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354699;MM354699;CNC(N)=C(C)C(=O)NO;QUFYWGJOFRGDLU-UHFFFAOYSA-N;145.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354700;MM354700;NCCNC(=O)C(F)=CF;JSXZLHFZCCHVJH-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354701;MM354701;CNC(C)=C(F)C(=O)NN;HBDXKVYHYUJDDK-UHFFFAOYSA-N;147.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354702;MM354702;CC(=NN)C(=N)NCCF;COYTYZMKDBYTKV-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354703;MM354703;CNC(N)=C(F)C(=O)NN;UAHASZPNBMBHKC-UHFFFAOYSA-N;148.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354704;MM354704;CC(=NO)C(=O)NCCO;PPFKWIFZMPQVIO-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354705;MM354705;CNC(=N)C(C)=C(C)OC;KUZWNNPUSFKJOZ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354706;MM354706;C#CCCC(=C)C(C)O;SBCDJCHTYPJIRX-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354707;MM354707;COC(C)=C(C)C(=N)NN;DNXZHXJDTQIRAR-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354708;MM354708;C#CCCCC(O)C=C;PWQGARKFOLSYEK-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354709;MM354709;CNC(=N)C(C)=C(N)OC;GKRBJFJCPRTVLP-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354710;MM354710;C#CCC=CC(O)CC;JKRIBJZKZXMQOQ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354711;MM354711;CC1NC1C#CC(F)F;OPIZVSIDDRCLCJ-UHFFFAOYSA-N;131.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354712;MM354712;C#CCC(C=O)ON=C;PVTSEQMLRQOWFV-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354713;MM354713;C#CC1(CC)CC1CO;ZKTMMHOEFZBKHI-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354714;MM354714;CCONC(=O)C(C)=CN;ZTXVVBRADFVVDK-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354715;MM354715;C=C(OC)C(C)=C(C)CC;ORIBNODOGBXFDP-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354716;MM354716;C=C(OCCC)C(C)=CC;LVKBIHSXELNIJO-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354717;MM354717;C=C(OC)C(C)=C(C)CN;SZIQVLCNWFSZNW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354718;MM354718;C=C(OCCN)C(F)=CF;ZALMMNJJTDHIAJ-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354719;MM354719;C=C(OC)C(C)=C(C)CO;ADXMWQAMWICEPK-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354720;MM354720;C=C(OCCO)C(F)=CF;YCWOZQRUVOPIEW-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354721;MM354721;C=C(OC)C(C)=C(F)CC;OJFWHPGEXQRHPC-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354722;MM354722;CC=C(C)C(=O)OCCO;FPWSFGKGWVUHTF-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354723;MM354723;CCC(N)=C(C)C(=O)OC;MJGNLCMAXMTOJJ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354724;MM354724;CCCOC(=O)C(F)=CN;RXVOITWKFIPMCK-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354725;MM354725;COC(=O)C(C)=C(N)CO;VVKRWBBOUAMOQQ-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354726;MM354726;NC=C(F)C(=O)OCCO;QCRRDCJSAWCXHK-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354727;MM354727;C=C(OC)C(F)=C(F)CO;VYYOQFPWVGWHQU-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354728;MM354728;C=C(OCOC)C(F)=CC;YUWWYEVISPVOGW-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354729;MM354729;CNC(N)=C(C)C(=O)OC;WBPIWPVDELQWMJ-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354730;MM354730;COCOC(=O)C(F)=CN;SFGSLPUUACRVLU-UHFFFAOYSA-N;149.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354731;MM354731;COC(=O)C(F)=C(C)OC;UKIYSLUSPIQEAS-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354732;MM354732;COCOC(=O)C(F)=CF;IDJDLMMUAFFZRH-UHFFFAOYSA-N;152.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354733;MM354733;C=CC(C)=C(C)C(=C)CC;FJJFTMBJQNSURU-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354734;MM354734;C=C(CCC#N)C(C)=CC;POZYAEUTJSUYFR-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354735;MM354735;C=C(CC)C(C)=C(C)C=O;GUEUGLZMNAFDPV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354736;MM354736;C=C(CCC=O)C(C)=CF;NSFJOXPHWOSJPO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354737;MM354737;C=C(CC)C(C)=C(C)C#N;SZNMKJSNLUHBST-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354738;MM354738;C=C(CCC=O)C(F)=CC;GMXMTTUHXKJRKM-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354739;MM354739;C=CC(C)=C(C)C(=C)CN;WNCYCUBOGZZUNR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354740;MM354740;C=CCCC(=O)C(C)=CC;CTMIMPPQZMWDAX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354741;MM354741;C=CN=CNN=CC=O;FRRLBLGNBRGPJU-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354742;MM354742;CC=C(C)C(=O)CCC=O;VEWCGLSMBNYMQS-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354743;MM354743;C=CC(C)=C(C)C(=C)CF;BWGOBJIDVYXQAC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354744;MM354744;C=CCCC(=O)C(C)=CN;SEIAVSLBUHFHRZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354745;MM354745;C=C(CF)C(C)=C(C)C=O;PZKHEOMUSYHSBW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354746;MM354746;C=CCCC(=O)C(C)=CF;OYAUKYQYSNHMQO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354747;MM354747;C=CC(F)=C(C)C(=C)CC;NBOHYSJLVVEKLN-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354748;MM354748;CC(=CF)C(=O)CCC=O;QZJIDHWURUHNOM-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354749;MM354749;C=C(CC)C(C)=C(F)C=O;PYMZGEHGNHXPMU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354750;MM354750;C=CCCC(=O)C(F)=CC;HDBQVQVENRPBRU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354751;MM354751;C=CCCC(=O)C(F)=CN;PEMRJMVRGYBECB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354752;MM354752;C=CC(F)=C(C)C(=C)CN;GKGYBGPCFBPUKB-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354753;MM354753;C=C(CNC=N)C(C)=CF;APKBEBXDSAEUNR-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354754;MM354754;C=CC(C)=C(C)C(=O)CC;GEMWIYRSOPFBSG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354755;MM354755;C=C(CNC=O)C(C)=CF;QNGBJUMTEZXBIR-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354756;MM354756;CCC(=O)C(C)=C(C)C=O;VSQZAPIXLUHUPK-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354757;MM354757;C=COCC(=O)C(C)=CF;YNDCSERTUYHWIT-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354758;MM354758;CCC(=O)C(C)=C(C)C#N;TWIMWVCHNNRSRT-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354759;MM354759;CC=C(C)C(=N)NCC=O;VUCXMLQDUTWEKY-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354760;MM354760;CC(C=O)=C(C)C(=O)CF;WNUXPTJZIIPCLT-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354761;MM354761;C=CCNC(=N)C(C)=CF;WJPFPTCPDYJXIF-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354762;MM354762;CC(C#N)=C(C)C(=O)CF;YSODUVCLCGFPNI-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354763;MM354763;CC=C(F)C(=N)NCC#N;GJRUOQKRESLELS-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354764;MM354764;C=CC(N)=C(C)C(=O)CC;JPGMHWXYDUZPDP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354765;MM354765;CC12CC(CO)CC1C2;KCQRXOUJOWQOHW-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354766;MM354766;C=CC(N)=C(C)C(=O)CO;RIWOWCBJADOUDV-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354767;MM354767;CC1CC1(C)C1CC1O;BAMDHOADGMATGQ-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354768;MM354768;C=CC(N)=C(C)C(=O)CF;FHNKKHLNHZNBRE-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354769;MM354769;N=CN(C=O)OCC=O;PNWGVGSZLPECBM-UHFFFAOYSA-N;130.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354770;MM354770;C=CC(F)=C(C)C(=O)CC;HZLJEDFIHZVCEP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354771;MM354771;CC(=CN)C(=O)NCC=O;NVPSFTFDHOOCMD-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354772;MM354772;CCC(=O)C(C)=C(F)C#N;QHGPYIVDKONHRH-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354773;MM354773;CC(=CF)C(=O)NCC#N;YYNXPXAXFQXFCN-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354774;MM354774;C=C(CC)C(N)=C(C)C=O;XOKGOMHMAFAPFI-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354775;MM354775;C=CCNC(=O)C(F)=CC;ATPMHJGEQCDMPQ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354776;MM354776;CC=C(F)C(=O)NCC#N;AJHAOWXWHIVMHK-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354777;MM354777;C=C(CC)C(N)=C(C)C#N;ALEANRYCHAMAAR-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354778;MM354778;C=CCNC(=O)C(F)=CF;OEPKWZSMJQOKNP-UHFFFAOYSA-N;147.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354779;MM354779;C=C(CO)C(N)=C(C)C=O;PLYVTLWSGSSFAA-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354780;MM354780;N#CCNC(=O)C(F)=CF;JJJWZVJCWQAOGK-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354781;MM354781;CCN1CC1CCC=O;CNESSGADOAMHGJ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354782;MM354782;CCC1C=CC(CO)C1;WGXGKAHMCIKFNE-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354783;MM354783;C=C(CO)C(N)=C(F)C#N;MFJYEBAKCFGPAR-UHFFFAOYSA-N;142.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354784;MM354784;CC(=NO)C(=O)NCC#N;DPYMKRMKCOGEAH-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354785;MM354785;C=C(CF)C(N)=C(F)C#N;WRUFBOVARREANH-UHFFFAOYSA-N;144.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354786;MM354786;CC=C(C)C(=N)NNC=N;KYQNNKQQOCUQAY-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354787;MM354787;CCC(=O)C(N)=C(N)C=O;UPEATULLRHRJRX-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354788;MM354788;CC=C(C)C(=N)NNC=O;FYULUHVKBJSUJT-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354789;MM354789;C=C(C#CCC)C(C)(C)O;RHERCFOZWIQPPG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354790;MM354790;OCC1C=CC(CO)C1;SBAFXJOYJXMBAV-UHFFFAOYSA-N;128.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354791;MM354791;NC(C=O)=C(N)C(=O)CO;KIEGUFDMBKIUED-UHFFFAOYSA-N;144.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354792;MM354792;CC=C(C)C(=O)NN=CN;JWFWDOPAKYENFQ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354793;MM354793;N#CC(N)=C(N)C(=O)CO;KNKMMAJSXLYVKG-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354794;MM354794;CC(=CN)C(=O)NN=CN;SOJJCRFCYPCXIT-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354795;MM354795;CCC(=O)C(N)=C(F)C#N;BMHAYKFOOZQUCQ-UHFFFAOYSA-N;142.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354796;MM354796;CC(=CF)C(=O)NN=CN;KPKVUIBBZBYPOB-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354797;MM354797;NC(C(=O)CO)=C(F)C=O;KYVMWBIPLVCBHM-UHFFFAOYSA-N;147.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354798;MM354798;N=CNNC(=O)C(F)=CF;WNHQLJCLXCEIST-UHFFFAOYSA-N;149.1;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354799;MM354799;N#CC(F)=C(N)C(=O)CO;IIFQYEWOUZZMIM-UHFFFAOYSA-N;144.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354800;MM354800;CC(=NO)C(=N)NNC=N;GGFJSQMOEDYBHK-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354801;MM354801;C=C(CO)C(F)=C(F)C=O;OKUHBBYNOLAVBN-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354802;MM354802;OCC1C=CC(CF)C1;RDEKCUHTVKOQAQ-UHFFFAOYSA-N;130.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354803;MM354803;C=CC(C)=C(F)C(=O)CC;RZTVCUSSGYEZCO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354804;MM354804;CC(=NN)C(=O)NN=CN;PNSIJECOXLHAQH-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354805;MM354805;CCC(=O)C(F)=C(C)C#N;BJQPHCDTEPLBPV-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354806;MM354806;CC=C(C)C(=O)NOC=O;IRAYCZVJMZIWIE-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354807;MM354807;C=CC(N)=C(F)C(=O)CC;PCVLFZUDVCYQDB-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354808;MM354808;CC(=NO)C(=N)NOC=O;JCODTCQTGGTLBX-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354809;MM354809;CCC(=O)C(F)=C(N)C#N;KYNBGYYGDWJWCW-UHFFFAOYSA-N;142.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354810;MM354810;C=CCOC(=C)C(F)=CF;DWNXHNVMQACUME-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354811;MM354811;NC(C=O)=C(F)C(=O)CO;HEQMNRBYGXHZEW-UHFFFAOYSA-N;147.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354812;MM354812;C=C(OCC#N)C(F)=CF;LAXRWCWZESOCKE-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354813;MM354813;N#CC(F)=C(F)C(=O)CO;WYVPKTUATZXTPQ-UHFFFAOYSA-N;147.08;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354814;MM354814;C=CCOC(=O)C(C)=CC;ODOZNBUSHKFCSH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354815;MM354815;O=CC(F)=C(F)C(=O)CF;TXGCKJRSCAGEFD-UHFFFAOYSA-N;152.07;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354816;MM354816;C=CCOC(=O)C(F)=CC;KUTLWRZOJUMBFG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354817;MM354817;C=CC(C)=C(C)C(=N)NC;BPLKKUXDMGYADU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354818;MM354818;CC=C(F)C(=O)OCC=O;RHKSCJITGPCETJ-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354819;MM354819;C=CC(C)=C(C)C(=N)NN;BBGINBQGVCDIGX-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354820;MM354820;O=CCOC(=O)C(F)=CF;HSVMCNHWJRRDSQ-UHFFFAOYSA-N;150.08;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354821;MM354821;C=CC(C)=C(C)C(=N)NO;AZTVCCFQTXXVAN-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354822;MM354822;CC(C=O)=C(C)C(=N)NO;BRNOXBHJTAQXOS-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354823;MM354823;N#CCOC(=O)C(F)=CF;HPCZWRQFEPZSSX-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354824;MM354824;CC(C#N)=C(C)C(=N)NO;ATRGSQYRQFHOBT-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354825;MM354825;CC=C(C)C(=O)ONC=O;CBKHOAKMVXECSE-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354826;MM354826;C=CC(N)=C(C)C(=N)NO;DIUDZWDBNDCQQE-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354827;MM354827;CC(=CN)C(=O)ONC=O;VJDJORVMYZUKEK-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354828;MM354828;C=CC(F)=C(C)C(=N)NN;ULTQTJALZPHJGH-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354829;MM354829;C=Cc1ncc(NC)o1;JWIMDOVLFOPTOW-UHFFFAOYSA-N;124.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354830;MM354830;CC(O)CC(C)C#CC#N;RUARYAIUTXGVTC-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354831;MM354831;CC=C(F)C(=O)ONC=O;JYYYQFXJDIFBKS-UHFFFAOYSA-N;147.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354832;MM354832;C=C(C=C(C)CC)C(C)O;BHRNFINWLNAVER-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354833;MM354833;C#CCCC(=C)C(C)=CF;IZFJXBHTIKZQAY-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354834;MM354834;CC(C=O)=C(C)C(=O)NO;CWYGGMYLESFYBY-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354835;MM354835;C#CCCC(=O)C(C)=CN;YEORNAMMQNRPRD-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354836;MM354836;CC(C#N)=C(C)C(=O)NO;DSXRUAOLYIZVDB-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354837;MM354837;C#CCCC(=O)C(C)=CF;LWOTWMKBZWGTNL-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354838;MM354838;C#CCC1=CC(C)(O)C=C1;ATGHFLVNFJZMTQ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354839;MM354839;CCC1=CC(CO)CC1;BVRJGJQWEVRUHG-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354840;MM354840;C=NNC(C)C#CC(F)F;LWSMRCAYNXPYHT-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354841;MM354841;C#CCNC(=O)C(C)=CN;DNIMCRNITGXMHE-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354842;MM354842;C=CC(N)=C(C)C(=O)NO;OSBGFEULNMEUNV-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354843;MM354843;C#CCNC(=O)C(C)=CF;OMLHPNPCKLCOBN-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354844;MM354844;C=CC(F)=C(C)C(=O)NC;WGDOMKZRAXQLBO-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354845;MM354845;C#CCNC(=O)C(F)=CN;OSNNAWAYHXYQJH-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354846;MM354846;C=C(C#N)CC1(C)CC1O;HZEMBTVHFRAAQK-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354847;MM354847;C#CCNC(=O)C(F)=CF;PFOKDICDRRWBST-UHFFFAOYSA-N;145.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354848;MM354848;CNC(=O)C(N)=C(N)C=O;HYGAHAIXCZROGM-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354849;MM354849;C#CCOC(=C)C(C)=CC;YVFNOVMUXLFSGO-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354850;MM354850;CNC(=O)C(N)=C(N)C#N;ZXZYVPLFXPOATJ-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354851;MM354851;C#CCOC(=O)C(C)=CC;IOODRSZMVRTKBM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354852;MM354852;NC(C=O)=C(N)C(=O)NO;NQOPRAPNBIOBDH-UHFFFAOYSA-N;145.12;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354853;MM354853;C#CCOC(=O)C(C)=CN;CUWXUPRRLGYCFN-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354854;MM354854;C=CC(C)=CC(O)C=CC;HCRPTPNHNCIQEZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354855;MM354855;C#CCOC(=O)C(F)=CF;WTITYFMQBQYTLB-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354856;MM354856;CC(C=O)=C(F)C(=O)NO;KRLWVYOVKCTVES-UHFFFAOYSA-N;147.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354857;MM354857;C#CCOC(=C)C(C)=NN;DTTHKSAJZCFRFU-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354858;MM354858;C=CC(N)=C(F)C(=O)NC;NJVVVCHWUZVJJZ-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354859;MM354859;C#CCOC(=C)C(C)=NO;IEDIIRPBWMTZDD-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354860;MM354860;C=CC(N)=C(F)C(=O)NN;SGBIZPZWGZLKHJ-UHFFFAOYSA-N;145.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354861;MM354861;OCC1C=C(CF)CC1;VHZLHRSSDJAPSL-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354862;MM354862;C=CC(F)=C(F)C(=O)NN;RTXXWZSKAHUSAW-UHFFFAOYSA-N;148.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354863;MM354863;CC=C(C)C(C)CC=CF;NWRXDBAPNGFARO-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354864;MM354864;C=CC(C)=C(C)C(=C)OC;AOGIBBYAHAUTMN-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354865;MM354865;CC=C(C)C(N)CC=CF;BZAKHXXHBCSGMQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354866;MM354866;C=C(OC)C(C)=C(C)C=O;NEWUJFKIJMAKBC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354867;MM354867;CC=CCC(N)C(C)=CF;BUDPCIZPVNKWDQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354868;MM354868;COC(=O)C(C)=C(C)C#N;IHDFNCNRTJGSHL-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354869;MM354869;CC(=CF)C(F)CC=CF;ILRKCDCBXDNKRY-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354870;MM354870;C=CC(N)=C(C)C(=O)OC;YFCCDPUTODDGCM-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354871;MM354871;CC(=CF)C(C)CC=NN;OWEIMPDMIJEYCA-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354872;MM354872;COC(=O)C(C)=C(F)C#N;IAMLMGAXVPFECZ-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354873;MM354873;CC=C(F)C(C)CC=NN;BPADOXBPKLAEHQ-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354874;MM354874;C=C(OC)C(N)=C(C)C#N;BEGANNYKNIRMEV-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354875;MM354875;CC=C(C)C(N)CC=NO;SBXRQNMNCUQOFC-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354876;MM354876;C=C(OC)C(N)=C(F)C#N;DXXOLDSNFOLISA-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354877;MM354877;CC=CCC(C)C(C)=NN;NSNZUUQZOPOGOC-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354878;MM354878;COC(=O)C(N)=C(N)C=O;SCRZKKQGLPUBMR-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354879;MM354879;CC=CCC(C)C(C)=NO;QQCUEVPKZHCCTC-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354880;MM354880;COC(=O)C(F)=C(F)C#N;NJCXFMROGXIFAM-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354881;MM354881;N#CC(F)C#CC1CN1;SDDNLCIRUCAVEZ-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354882;MM354882;C#CC(C)=C(C)C(=C)CC;PDGXAJDBKIYPID-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354883;MM354883;CC=C(F)C(C)NC=NC;SKGATHCOZBBBKO-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354884;MM354884;C#CC(C)=C(C)C(=C)CN;CCHSSQMMGTZUGS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354885;MM354885;CN=CNC(C)C(C)=NO;DMAIQRNMLOCTSG-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354886;MM354886;C#CC(C)=C(C)C(=C)CO;FAOWVVXEJPSKKA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354887;MM354887;CC=NNC(C)C(F)=CF;HXCHRTKATLMWQR-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354888;MM354888;C#CC(C)=C(C)C(=C)CF;XWSGLDXKUSFKRY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354889;MM354889;CC=COC(C)C(C)=CC;BCHKOGDJCQWSJF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354890;MM354890;C#CC(F)=C(C)C(=C)CC;JYEXMSGAOQGNKC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354891;MM354891;CC=COC(C)C(F)=CF;XNOLYZMBAPPMRE-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354892;MM354892;C#CC(C)=C(C)C(=O)CC;DZKPFPUWFDXJNW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354893;MM354893;CC=COC(C)C(C)=NN;FTUPTJMFXVBBGC-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354894;MM354894;C#CC(N)=C(C)C(=O)CC;MYWJFRJGSIWYPH-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354895;MM354895;CC=NOC(C)C(C)=CC;OUZYBNHGOWYREF-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354896;MM354896;C#CC(F)=C(C)C(=O)CC;UGPXNMWRGIJVIG-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354897;MM354897;CC=NOC(C)C(C)=CF;FYPSMFFBEFASHB-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354898;MM354898;C#CC(F)=C(F)C(=C)CN;OZIALLZXDJRBPP-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354899;MM354899;CC(=NN)N(C)CC=NN;RDAZZSJKIHPDBH-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354900;MM354900;C#CC(N)=C(F)C(=O)CC;BCSRUJZZQFSLSP-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354901;MM354901;CC(=NN)N(C)CC=NO;HENIGRWPYRMBGU-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354902;MM354902;C#CC(F)=C(F)C(=O)CO;VSYATAMVBZEOFZ-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354903;MM354903;CC(=NN)N(O)CC=NO;BHJGCKYXJIIWCA-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354904;MM354904;C#CC(C)=C(C)C(=N)NN;YTDVTJXYTBKNKV-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354905;MM354905;CC(=NO)N(O)CC=NN;SYZCZDHSKFSVJT-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354906;MM354906;C#CC(C)=C(C)C(=N)NO;KMOMKTKHAQMDME-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354907;MM354907;CC(=NO)N(O)CC=NO;UBLLTLCVFDERGQ-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354908;MM354908;C#CC(N)=C(C)C(=N)NC;RMDWYOFNBASESH-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354909;MM354909;CN=CNN(C)C(C)=NN;LKJDNTNATYLFMN-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354910;MM354910;C#CC(F)=C(C)C(=N)NN;XHRDTVVWCMFQEI-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354911;MM354911;CCC1(C2CC2O)CC1;QWVUVZJHPQDTPJ-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354912;MM354912;CC(=O)C(C#N)=NN(C)C;KXVHHNDXEOJKPG-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354913;MM354913;C=CC(O)C(=C)C1CC1;YHOYOWFCKNORAT-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354914;MM354914;C#CC#CCC(O)CCC;MFGLVRULVZVHBF-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354915;MM354915;CC(C)(O)CC#CC=NN;KQUPMXZEMKGABJ-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354916;MM354916;C#CC(F)=C(C)C(=O)NN;AMHFNAJXTXHLTH-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354917;MM354917;C=C(CC=CC)C(C)=CC;WMLJVMSMNWEMJB-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354918;MM354918;C#CC(=CC)C(=C)C(C)O;UXWWQGZRVGTAMD-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354919;MM354919;CC=CCC(=O)C(C)=CN;DBUHUDWGOKMVIL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354920;MM354920;C#CC(C)=C(F)C(=O)NC;UKDWABRNDIRFGJ-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354921;MM354921;CC=CCC(=O)C(C)=CF;HIVZMAYIVBTZAR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354922;MM354922;C#CC(C)=C(F)C(=O)NO;FBABFDCCASPIHO-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354923;MM354923;CC=CCC(=O)C(F)=CN;WBIRANXYVLDXNZ-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354924;MM354924;C#CC(C)=C(C)C(=C)OC;IRAMKQUMSPJEJT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354925;MM354925;NC=C(F)C(=O)CC=CF;OEUGSTCKPUWUHS-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354926;MM354926;C#CC(C)=C(F)C(=C)OC;WCKRTZMVYQIURX-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354927;MM354927;O=C(CC=CF)C(F)=CF;DHTWIYUVGRNKOB-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354928;MM354928;C#CC(F)=C(F)C(=O)OC;ZHGXFWPPEICBOT-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354929;MM354929;C=C(CC=NN)C(C)=CC;WSZUDIXDJXOBGM-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354930;MM354930;C=CC(=C)C(C)=C(C)CC;JPNATMGTGRLFSD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354931;MM354931;C=C(CC=CF)C(C)=NO;KYHOHTXHFYRNGB-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354932;MM354932;C=CC(=C)C(C)=C(C)CN;WJOARBSHMVQPGY-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354933;MM354933;CC=CCC(=O)C(C)=NO;FNNNFMZTZXGSBT-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354934;MM354934;C=CC(=C)C(C)=C(C)CF;SGQPDEYAOGEJOX-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354935;MM354935;CCC#CC=CC(C)(C)O;TZTZUJVVHHKCSS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354936;MM354936;C=C(C=O)C(C)=C(C)CC;KOACWCAIIIJKDX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354937;MM354937;CC=C(C)C(=N)NC=CF;DHKCREIMSXXWMZ-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354938;MM354938;C=C(C#N)C(C)=C(C)CC;FKDPYUPYIUYNFX-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354939;MM354939;CC=CNC(=O)C(F)=CC;WUDXDWSVPULETG-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354940;MM354940;CC(C=O)ON=C(N)C#N;DIVJBUNGDALISJ-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354941;MM354941;CC=CNC(=O)C(F)=CN;DTARWAJCRDKKIM-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354942;MM354942;C=C(C#N)C(C)=C(C)CO;ZTQMKXAHRQHWMP-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354943;MM354943;C=C(NC=NC)C(C)=CC;BOTJMKWYSOOMSL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354944;MM354944;C=C(C#N)C(C)=C(C)CF;QBWCNXBEIKTKIQ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354945;MM354945;C=C(NC=NC)C(F)=CC;PRSWIWSDCGKHLO-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354946;MM354946;C=CC(=C)C(C)=C(F)CC;PIGXTPUGHMQIHS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354947;MM354947;C=C(NC=NO)C(F)=CF;IOJFTEXMDNMXOB-UHFFFAOYSA-N;148.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354948;MM354948;C=C(C=O)C(C)=C(F)CC;MTXBTLPYINGTSZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354949;MM354949;CC(C)C#CC(C)C(C)O;BWIUGGJIIRPEPM-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354950;MM354950;C=C(C#N)C(C)=C(F)CC;NFMDUXYAKKJGGS-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354951;MM354951;C#CC=NOC(C)C(C)=O;MUEHTMZRCVSSPW-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354952;MM354952;C=C(C#N)C(C)=C(F)CF;SJEKBIOVPLXWTG-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354953;MM354953;CCC1(C)CC(CO)C1C;DNCUGMZEEPXUKQ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354954;MM354954;C=CC(=O)C(C)=C(C)CC;MZZUHNOGJFKRIB-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354955;MM354955;CC1C(CO)CC1(C)CF;GQXQCECZQOHIPJ-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354956;MM354956;C=CC(=O)C(C)=C(C)CO;QHZMUJHMIKAQOU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354957;MM354957;CC(=CN)C(=O)NC=NN;XTGYBVQMESXNQU-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354958;MM354958;C=CC(=O)C(C)=C(C)CF;OVDXFMIWVFBFIR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354959;MM354959;CC(=CN)C(=O)NC=NO;IOTGLJKKXIQVLQ-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354960;MM354960;CCC(C)=C(C)C(=O)C#N;SVDPDSPNCDJLCH-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354961;MM354961;CN=CNC(=O)C(C)=CF;IIVDSKLQYCPUCG-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354962;MM354962;CC(CF)=C(C)C(=O)C#N;AHGVXPSQRXNQRU-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354963;MM354963;CC=C(F)C(=O)NC=NN;YDJYXFJYGBIEMA-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354964;MM354964;C=CC(=O)C(C)=C(N)CC;ULFXEBAOENCWRV-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354965;MM354965;CC=C(F)C(=O)NC=NO;WQVZUOFFOOZANL-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354966;MM354966;CC(C(=O)C#N)=C(N)CO;JNUKKMZSRGYIEI-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354967;MM354967;NC=C(F)C(=O)NC=NO;PUUBOYTXKNOYIZ-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354968;MM354968;CC(C(=O)C=O)=C(N)CF;OZHGVBFJWKHFRW-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354969;MM354969;C=CC(C=C)CC(C)CO;JMOWDSIRRNDYBG-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354970;MM354970;C=CC(=O)C(C)=C(F)CC;SUQZCJBCXJNPGX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354971;MM354971;C=CC(C=O)CC(C)CO;ZIFOBRQFQPEPDQ-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354972;MM354972;C=CC(=O)C(C)=C(F)CF;MPBZMHOXLYWDOG-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354973;MM354973;CC(=NN)C(=O)NC=NN;DIRBETPQTCSXOW-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354974;MM354974;CCC(F)=C(C)C(=O)C#N;ZNXURTBJVCMFOR-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354975;MM354975;CC(=NO)C(=O)NC=NN;WVPSLLPNQFSTSA-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354976;MM354976;C=CC(=C)C(F)=C(C)CC;WXULTQUFWWUIIK-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354977;MM354977;CC(=NO)C(=O)NC=NO;RCFDGKYDEOIPCF-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354978;MM354978;C=CC(=C)C(F)=C(C)CN;CLVJJQSELDNXRX-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354979;MM354979;C=C(OC=CC)C(C)=CC;XAAKGVAYIWNERR-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354980;MM354980;C=CC(=C)C(F)=C(C)CO;XEHWJMOKWKAYBM-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354981;MM354981;CC=COC(=O)C(C)=CC;VLTJSVWRJJLMOW-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354982;MM354982;C=C(C=O)C(F)=C(C)CC;JZBOJOKUGLIKGT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354983;MM354983;CC=COC(=O)C(C)=CN;DNSLBUXLGGJJTR-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354984;MM354984;C=C(C#N)C(F)=C(C)CO;FUHUDFWOWYDIIO-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354985;MM354985;CC=COC(=O)C(F)=CC;CHHWGNRMKHXLFW-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354986;MM354986;C=C(C=O)C(F)=C(C)CF;RBLZOUCWDAKSHP-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354987;MM354987;CC=COC(=O)C(F)=CN;XSYFQLOYVAETIT-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354988;MM354988;C=C(C=O)C(F)=C(F)CO;WGYYSTIRKZDTTO-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354989;MM354989;CC=COC(=O)C(F)=CF;PASBHDJVACDCNH-UHFFFAOYSA-N;148.11;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354990;MM354990;C=CC(=O)C(F)=C(C)CC;RWLFWOYWJWDEPC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354991;MM354991;C#CC(C)(CC)C1CC1O;CVDJJQIXOKPQKM-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354992;MM354992;C=CC(=O)C(F)=C(C)CF;FRERPQKHXPYXJR-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354993;MM354993;C=C(OC=NO)C(F)=CC;ORKJITFPOHGRJH-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354994;MM354994;CCC(C)=C(F)C(=O)C#N;YXERLQJWGGQDKL-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354995;MM354995;C=CC(C=NNC)CC=O;BHPPKCAIJZKYOE-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354996;MM354996;CC(CF)=C(F)C(=O)C#N;KIBXHHZSQVIUTR-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354997;MM354997;C=C(OC=NO)C(F)=CF;INIQMXXNFJVGLU-UHFFFAOYSA-N;149.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354998;MM354998;C=CC(=O)C(F)=C(N)CF;WKDXECWTRBPEFP-UHFFFAOYSA-N;147.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM354999;MM354999;CC1C2CC(CO)CC12C;WVFRBDRULMJOCK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355000;MM355000;CCC(N)=C(F)C(=O)C=O;JRRJWZQGWPXWGS-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355001;MM355001;C=C(OC=CC)C(C)=NO;NMKYGWQYOGCJKE-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355002;MM355002;C=CC(=O)C(F)=C(F)CO;IVVVKVLTLNHZSA-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355003;MM355003;C=C(OC=CF)C(C)=NO;AYMZTCLKAZWFPD-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355004;MM355004;C=CC(=O)C(C)=C(C)NC;JJTCHTMVPNPBSX-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355005;MM355005;CC12CC(CO)CC1C2O;WWWLJEWIWRIQTL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355006;MM355006;CNC(C)=C(F)C(=O)C=O;ZKRPZNBQSTTYMN-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355007;MM355007;C=C(C#N)C1CC(O)C1C;BWFZKODEBMQOGP-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355008;MM355008;C=CC(=C)C(C)=C(C)OC;ZHGXVUYWUMWRSF-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355009;MM355009;C=C(OC=NO)C(C)=NN;KEOUZDQWAYAKJO-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355010;MM355010;C=C(C#N)C(C)=C(C)OC;WXYPWLDICWCVFO-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355011;MM355011;CC(=NN)C(=O)OC=NO;BKQGAMPHNHCCQD-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355012;MM355012;COC(N)=C(C)C(=O)C#N;KBFYAAXOFGOJJB-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355013;MM355013;CC=NOC(=O)C(C)=CC;CPTAAPHMNYNYEI-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355014;MM355014;COC(C)=C(F)C(=O)C#N;IYRBXFHUOROCPZ-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355015;MM355015;Cc1coc(=NNC=N)o1;NRAMQCMHXDUSNP-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355016;MM355016;C=CC(=C)C(C)=C(C)C=C;MGRFNEKBSQMCKU-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355017;MM355017;CC=NOC(=O)C(F)=CC;TVDIELCRSBFAMO-UHFFFAOYSA-N;145.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355018;MM355018;C=CC(=C)C(C)=C(C)C=O;PZMNAIFMPJHMCW-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355019;MM355019;C=CCC1C=CC(CO)C1;IHDKUSYZMICIOD-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355020;MM355020;C=CC(=C)C(C)=C(C)C#N;ZWENCILGAMFYIC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355021;MM355021;CC=NOC(=O)C(F)=CF;HAYHAAGTUAZMFV-UHFFFAOYSA-N;149.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355022;MM355022;C=CC(C)=C(C)C(=C)C=O;JRGZMCXNQQTYRF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355023;MM355023;CC#CCC(C)C(C)=CF;IDNWKTQCYZCABO-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355024;MM355024;C=CC(C)=C(C)C(=C)C#N;ZFPBDXZXDHRDGE-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355025;MM355025;CC#CCC(N)C(C)=CC;FHTJMZMOIPVLPV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355026;MM355026;C=C(C=O)C(C)=C(C)C#N;WLBQTNMYTKFHDY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355027;MM355027;CC#CCC(N)C(C)=CF;XZHKNCZFXRTIIY-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355028;MM355028;C=C(C#N)C(C)=C(C)C=O;TWTMTDNUJZQCQR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355029;MM355029;CC#CCC(C)C(C)=NN;BCTTXLSMECUEBE-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355030;MM355030;C=C(C#N)C(C)=C(C)C#N;KBQLTMRTPIZOHB-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355031;MM355031;C#CCC1C=CC(CO)C1;XXKWDMCRAIOQHO-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355032;MM355032;C=CC(=C)C(C)=C(F)C=C;NBRCRXMUDPLWOY-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355033;MM355033;CC#CCN(O)C(C)=NO;CHVUULQQXNNPSH-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355034;MM355034;C=CC(=C)C(C)=C(F)C=O;MHQYKTRJMITCKX-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355035;MM355035;CCC=CC(C)C(C)CC;JKNHEZDGZXQWBG-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355036;MM355036;C=CC(=C)C(C)=C(F)C#N;HVZSBLXZIIXXLE-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355037;MM355037;CCC(C)C(C)C=CCN;HXXNCOIDDXSVTJ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355038;MM355038;C=C(C#N)C(C)=C(F)C=O;XJDGYBRSLNAJPA-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355039;MM355039;CCC(C)C(C)C=CCF;NTGFUTVEDZAJCD-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355040;MM355040;C=C(C#N)C(C)=C(F)C#N;NTBKJGXDECHKRM-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355041;MM355041;CC(C=CCN)C(C)CF;LTCNRTFPZNLVJI-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355042;MM355042;C=CC(=O)C(C)=C(C)C=C;GQFKQGNAXQGMAN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355043;MM355043;CCC(N)C(C)C=CCN;FYJOWELINMOSEX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355044;MM355044;C=CC(=O)C(C)=C(C)C=O;XCOYWOWOQYXSEQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355045;MM355045;CCC(N)C(C)C=CCF;YPORFUSTHZDJJT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355046;MM355046;CC(C=O)=C(C)C(=O)C=O;QJQSCPQCORBFAR-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355047;MM355047;CCC=CC(C)C(N)CN;LMJHRHDTAXVZKW-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355048;MM355048;CC(C#N)=C(C)C(=O)C=O;WMIIWYLIJRMUNB-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355049;MM355049;CC(C=CCF)C(N)CN;SWWKMFBQKCURPQ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355050;MM355050;C=CC(=C)C(N)=C(C)C#N;WIQSVJFFWQOBFK-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355051;MM355051;CCC=CC(C)C(N)CO;OKZFABWKZAJLHJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355052;MM355052;C=C(C#N)C(N)=C(C)C=O;HRPYCBZGKKACNI-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355053;MM355053;CC(C=CCO)C(N)CO;JZSNIKMDKJGPBO-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355054;MM355054;C=C(C#N)C(N)=C(C)C#N;IHPRJJOPSBKSLH-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355055;MM355055;CCC=CC(C)C(N)CF;ITGSFOYWLMOEHD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355056;MM355056;C=CC(=C)C(N)=C(F)C#N;QAORGVSXXHXCFH-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355057;MM355057;CCC(O)C(C)C=CCN;DAFXOIYGNMYRCF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355058;MM355058;C=C(C#N)C(N)=C(F)C=O;JLPXMZXDYNPANR-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355059;MM355059;CC#CC1C=CC(CO)C1;WHMYEGFEYIPFDW-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355060;MM355060;CC(C#N)=C(N)C(=O)C=O;IRFFNBOLXORQBC-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355061;MM355061;CCCC1=CC(CO)CC1;VYBYMOKQXPUKSY-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355062;MM355062;CC(C=O)=C(N)C(=O)C#N;XGLARVKYEMQTDI-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355063;MM355063;CCC=CC(C)C(O)CN;FTAVYJMHSGEUDS-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355064;MM355064;C=CC(=O)C(N)=C(F)C#N;LWIZKLAENYQDJA-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355065;MM355065;CC(C=CCO)C(O)CN;HIRRRANRXARSOD-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355066;MM355066;C=CC(=C)C(F)=C(C)C#N;YWMGKSQFTMFAID-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355067;MM355067;CCC=CC(C)C(O)CO;MDNUNRDGTYGDPD-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355068;MM355068;C=C(C=O)C(F)=C(C)C#N;FFLHKPHNHVBLDY-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355069;MM355069;CC(C=CCO)C(O)CO;KXHHMFHYYLUMEF-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355070;MM355070;C=C(C#N)C(F)=C(C)C#N;FHIJLMUKJJGLLI-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355071;MM355071;CCC(C)C(N)C=CCN;PBAVRVKXZIEFLQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355072;MM355072;C=C(C#N)C(F)=C(F)C=O;WIUWQAHHSXRFGN-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355073;MM355073;CC(CN)C(N)C=CCF;FDOFQDSPJJHCRN-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355074;MM355074;C=CC(=O)C(F)=C(C)C#N;LVXSSTIZLCRDRV-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355075;MM355075;CC(CF)C(N)C=CCF;PCTMFFNFZRVIJH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355076;MM355076;C=CC(C)=C(F)C(=O)C#N;CDAFEAGRUJUIFJ-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355077;MM355077;CCC=CC(N)C(N)CN;UEIAQNFUMHZNDV-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355078;MM355078;CC(C=O)=C(F)C(=O)C=O;FQMUURIWGANXGW-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355079;MM355079;NCC=CC(N)C(N)CN;NWRAYADFIOPDAB-UHFFFAOYSA-N;144.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355080;MM355080;CC(C#N)=C(F)C(=O)C=O;HQUHJJJWUMDBFG-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355081;MM355081;CCC=CC(N)C(N)CO;PQZDXKGMFZZPQF-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355082;MM355082;C=CC(=O)C(F)=C(N)C#N;FZTDRLAFLVWDDX-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355083;MM355083;CCC(O)C(N)C=CCN;IAZPUGBCYRZHRV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355084;MM355084;N#CC(=O)C(F)=C(F)C=O;QNCKODWVTQUFGI-UHFFFAOYSA-N;145.06;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355085;MM355085;CCC=CC(N)C(O)CN;SOLVESMYLXENAQ-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355086;MM355086;N#CC(=O)C(F)=C(F)C#N;VZCZIYDMLODXIW-UHFFFAOYSA-N;142.06;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355087;MM355087;CCC=CC(N)C(O)CO;JYFPNQDJVAWBKK-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355088;MM355088;C#CC(C)=C(C)C(=C)C=C;CYOXRPREEKTXOW-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355089;MM355089;CCC(F)C(N)C=CCN;QRDVPQOAIWGIIO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355090;MM355090;C#CC(C)=C(C)C(=C)C=O;PPDJCRJEYWXNFN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355091;MM355091;CCC(C)C(O)C=CCF;FGQSROYWSMTVSG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355092;MM355092;C#CC(C)=C(C)C(=C)C#N;VUGBCNQNLHAIOJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355093;MM355093;CCC(N)C(O)C=CCN;LUWPGAHYMGCWFC-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355094;MM355094;C#CC(F)=C(C)C(=C)C=C;FRONODXQAJWSOJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355095;MM355095;CCC=CC(O)C(N)CN;JDSAQTRJIUMXDO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355096;MM355096;C#CC(F)=C(C)C(=C)C=O;CTRXCPANEUJINS-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355097;MM355097;CCC=CC(O)C(N)CO;WUIYKBICWJLDFV-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355098;MM355098;C#CC(F)=C(C)C(=C)C#N;JQDOCNXNQRGFGH-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355099;MM355099;NC(CF)C(O)C=CCF;BWMYSQPRYNITTQ-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355100;MM355100;C#CC(C)=C(C)C(=O)C=C;CFRCVXKVXJJCNH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355101;MM355101;CCC=CC(O)C(O)CC;ZTMOWUGORKKTJY-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355102;MM355102;C#CC(C)=C(C)C(=O)C#N;PKPBJBPCWUJSTC-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355103;MM355103;CCC(O)C(O)C=CCO;NYPIDDKARQLVPP-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355104;MM355104;C#CC(N)=C(C)C(=O)C=C;SQFDKTSGCPHBDS-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355105;MM355105;CCC=CC(O)C(O)CN;FMXVRMHGKYIWCZ-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355106;MM355106;C#CC(N)=C(C)C(=O)C=O;OKUWPPJUJJWWIN-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355107;MM355107;NCC(O)C(O)C=CCO;FRKFPCUFPZYHMA-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355108;MM355108;C#CC(F)=C(C)C(=O)C=C;WVQJVDRATIZDDR-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355109;MM355109;NCC(O)C(O)C=CCF;GPCPKXNJULPKLA-UHFFFAOYSA-N;149.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355110;MM355110;C#CC(C)=C(F)C(=C)C=C;NCIWZUOHOPNELJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355111;MM355111;CCC=CC(O)C(O)CO;UGVYLMMKJHVZDC-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355112;MM355112;C#CC(C)=C(F)C(=C)C#N;MCBKQSWZQSKASY-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355113;MM355113;OCC=CC(O)C(O)CO;ZRDKNTASDLSPCG-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355114;MM355114;C#CC(C)=C(F)C(=O)C=C;OUVGSPBZGZDODC-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355115;MM355115;OCC(O)C(O)C=CCF;RUYWKCCNXLAMBP-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355116;MM355116;C#CC(C)=C(F)C(=O)C=O;IIPXIKSNLBTZMS-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355117;MM355117;NCC(F)C(O)C=CCF;XEQSFHQVVWFNAD-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355118;MM355118;C#CC(N)=C(F)C(=O)C=C;MFPJAGKAROMZRL-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355119;MM355119;OCC=CC(O)C(F)CO;XHVBXARSTIBKTM-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355120;MM355120;C#CC(F)=C(F)C(=O)C#N;AQYVUWMRIOQIPA-UHFFFAOYSA-N;141.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355121;MM355121;CCC=CC(F)C(C)CC;FWEUTDUMLJFCPY-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355122;MM355122;C#CC(=C)C(C)=C(C)CC;HZRKIPLFPHSHTI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355123;MM355123;CCC(C)C(F)C=CCO;DQNRCRZUDOMKJK-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355124;MM355124;C#CC(=C)C(C)=C(C)CN;BHYDVCMZASVMAP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355125;MM355125;CCC=CC(F)C(C)CN;PVMOPFQFECTJDP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355126;MM355126;C#CC(=C)C(C)=C(C)CF;IDHJWAJAZOKNLA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355127;MM355127;CC(CN)C(F)C=CCO;DPDLZAICBZWZJX-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355128;MM355128;C#CC(=C)C(C)=C(F)CC;DAVFOVOZWGYUKF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355129;MM355129;CCC=CC(F)C(N)CC;QPKITIRWMORTJQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355130;MM355130;C#CC(=O)C(C)=C(C)CF;KLURNWICQJXNNP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355131;MM355131;NC(CO)C(F)C=CCF;HCFOEOPDTLWDRG-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355132;MM355132;C#CC(=O)C(C)=C(N)CC;RZLZTNCDGVPPPV-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355133;MM355133;NCC(O)C(F)C=CCF;JUQWULFDVCXYEC-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355134;MM355134;C#CC(=O)C(C)=C(F)CC;AFFRNXIXUNRPRD-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355135;MM355135;OCC=CC(F)C(O)CF;MWYRDBKWGWCFGA-UHFFFAOYSA-N;152.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355136;MM355136;C#CC(=C)C(F)=C(F)CO;WHBPMENAZQTNKV-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355137;MM355137;COC=CC(N)C(C)CO;ZZBPVPIRTPNLFS-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355138;MM355138;C#CC(=O)C(C)=C(C)NC;ZMXFGAXJMOSBRP-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355139;MM355139;CCC(O)C(N)C=COC;HDGAZQOUXYVUJM-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355140;MM355140;CCC(C)=NNC(C)C=O;KYEUTOOEWPKBRB-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355141;MM355141;CCC(F)C(N)C=COC;ULDVXYDTQSSTJU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355142;MM355142;C#CC(=C)C(C)=C(C)OC;PXTVDTHQNOLDFH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355143;MM355143;COC=CC(O)C(C)CN;FKKCWZVJOWGZGM-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355144;MM355144;C#CC(=O)C(F)=C(C)OC;ZTBBEYMZWMKSGP-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355145;MM355145;COC=CC(O)C(N)CO;CHNSDBUEVVAQAE-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355146;MM355146;C#CC(=C)C(C)=C(C)C=C;JHYAEVUDPNUMNF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355147;MM355147;COC=CC(O)C(O)CN;REKOVZQUKNDDBE-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355148;MM355148;C#CC(=C)C(C)=C(C)C=O;LPJMUDGPIJZULN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355149;MM355149;COC=CC(O)C(O)CO;PLCKMLHHENRXGH-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355150;MM355150;C#CC(=C)C(C)=C(C)C#N;OFUPELVLFCIWQC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355151;MM355151;COC=CC(O)C(O)CF;CADNZOSAOWDWHJ-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355152;MM355152;C#CC(=C)C(C)=C(F)C=O;QGVORKORJCQEKW-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355153;MM355153;COC=CC(O)C(F)CN;VTPFOWULELVCNC-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355154;MM355154;C#CC(=C)C(C)=C(F)C#N;RJORQJBZUXMGEJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355155;MM355155;COC=CC(O)C(F)CO;JMPPVOJBHDRZFI-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355156;MM355156;C#CC(=O)C(C)=C(C)C=C;YSYIVPVCBFZOEQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355157;MM355157;COC=CC(O)C(F)CF;KLFQYBJZEJDSJJ-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355158;MM355158;CCC(C)C(F)C=COC;LXOKVLFPMNEBGA-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355159;MM355159;C#CC(=O)C(C)=C(C)C=O;LJDCGCHJVAGFQB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355160;MM355160;COC=CC(F)C(C)CN;QPKMLBIOLDGTSA-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355161;MM355161;C#CC(=O)C(C)=C(N)C=C;UEZHFFLXVCUNAQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355162;MM355162;CCC(O)C(F)C=COC;QOHZNAWMHJBSPS-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355163;MM355163;C#CC(=O)C(C)=C(N)C=O;YVHAQUGPYIIRJM-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355164;MM355164;COC=CC(F)C(O)CO;HFKKKQKOISRXIQ-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355165;MM355165;C#CC(=C)C(N)=C(C)C#N;ZNUKYWVBLLCUDV-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355166;MM355166;COC=CC(F)C(O)CF;FQULWFCJMRYCEB-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355167;MM355167;C#CC(=C)C(N)=C(F)C#N;DVVOKQZQMKAACA-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355168;MM355168;COC=CC(F)C(F)CO;YUQUWHYHOLDWSM-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355169;MM355169;C#CC(=O)C(N)=C(C)C=O;DIPWBABBXPOSSV-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355170;MM355170;CNC(C)C(C)C=CCN;URJQLEAQZMWCBH-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355171;MM355171;C#CC(=C)C(F)=C(C)C#N;VJRUMSMFWIVBBI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355172;MM355172;CNC(C)C(O)C=CCN;LLOLQJNSEYNVMY-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355173;MM355173;C#CC(=C)C(F)=C(F)C=C;YGMNGPBKIGGKOV-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355174;MM355174;CCC=CC(F)C(C)NC;AZKZGDPREFVWHO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355175;MM355175;C#CC(=C)C(F)=C(F)C=O;OXYRAAXBNRKOID-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355176;MM355176;CCC=CC(C)C(C)OC;AQJAPRRDKOPJKF-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355177;MM355177;C#CC(=O)C(F)=C(C)C=C;BWSWQEYFYNBDIG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355178;MM355178;COC(C)C(O)C=CCO;GYURNWUADPEOPZ-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355179;MM355179;C#CC(=O)C(F)=C(F)C=C;ZEZDAHKUFFBNFF-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355180;MM355180;COC(C)C(F)C=CCO;PMKZVMORSUDNLQ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355181;MM355181;C#CC(=O)C(F)=C(F)C=O;UIOUPKOMCLGWQA-UHFFFAOYSA-N;144.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355182;MM355182;CCC(C)C(C)C=NNC;HMZIVWYCGDCBAL-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355183;MM355183;C#CC(=O)C(F)=C(F)C#N;HWTOGQWFEUXTSC-UHFFFAOYSA-N;141.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355184;MM355184;CCC(F)C(C)C=NNC;ROKKQXUAKBYWOD-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355185;MM355185;C#CC(=C)C(C)=C(C)C#C;XYUPOVLIEREPRO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355186;MM355186;CNN=CC(N)C(N)CN;NSVSXBRNZDOTJW-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355187;MM355187;C#CC(=C)C(C)=C(F)C#C;JQGAISXHWFMXFY-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355188;MM355188;CNN=CC(N)C(N)CO;VXACWJLPAPNBEL-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355189;MM355189;C#CC(=O)C(C)=C(C)C#C;HPMVKFMHYAVVGD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355190;MM355190;CNN=CC(N)C(O)CN;IKUAHWLCFDMSIH-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355191;MM355191;C#CC(=O)C(C)=C(F)C#C;WVGYNCQWAMYCMI-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355192;MM355192;CNN=CC(N)C(F)CN;RPYWAOOLCAGHSR-UHFFFAOYSA-N;148.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355193;MM355193;C#CC(=C)C(F)=C(C)C#C;AAZGFYQPNYZIBF-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355194;MM355194;CCC(N)C(O)C=NNC;BEPDMUKGRQWPCA-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355195;MM355195;C#CC(=O)C(F)=C(F)C#C;MJTPEQSNBYAWID-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355196;MM355196;CNN=CC(O)C(N)CN;XZEZTJRVAFEOOV-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355197;MM355197;CC=C(C)C(C)=C(C)CC;DDVAZJYPRNAQDD-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355198;MM355198;CNN=CC(O)C(N)CO;OKAJDLRIPDTACG-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355199;MM355199;CC=C(C)C(C)=C(C)CN;HQVLZAYPBHGVCU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355200;MM355200;CNN=CC(O)C(O)CN;FWJYNDYQZDPWJS-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355201;MM355201;C=NN(C=N)CC(C)C=O;FVYDANNOFJUUDZ-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355202;MM355202;C=CCC1=CC(CO)CC1;IJTTWIFZKBIXEN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355203;MM355203;CC=C(C)C(C)=C(C)CF;OTCKFXUDCYUMKH-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355204;MM355204;O=CCC1=CC(CO)CC1;PUPKLTPRWRLDSO-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355205;MM355205;CCC(C)=C(C)C(C)=CF;RBKNFSQXYNXLMR-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355206;MM355206;N#CCC1=CC(CO)CC1;QSWKALDQOCNPJI-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355207;MM355207;CC(=CF)C(C)=C(C)CN;BBYSHMPXGYPUDJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355208;MM355208;CNN=CC(F)C(N)CN;BLWDRMBXLHJXTH-UHFFFAOYSA-N;148.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355209;MM355209;CC(=CF)C(C)=C(C)CF;IPPRMKXIEKJNRG-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355210;MM355210;C#CCC1=CC(CO)CC1;ZRLDENROZSTQNI-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355211;MM355211;CNN=CC(F)C(O)CN;JKIYCPXAODAJBA-UHFFFAOYSA-N;149.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355212;MM355212;CC=C(F)C(C)=C(C)CN;OWWYLBZMPNJGIW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355213;MM355213;CCC12CC(CO)CC1C2;SDQXULVMWLTVMX-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355214;MM355214;CC=C(F)C(C)=C(C)CF;ZGHNCBHMCPOBNY-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355215;MM355215;CCC(C)C(C)C=NOC;SZPJPVUULSAATC-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355216;MM355216;CC(CN)=C(C)C(F)=CF;FTBFCTFMRUYICY-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355217;MM355217;CON=CC(C)C(C)CN;CFSCVCVKIGPCGK-UHFFFAOYSA-N;144.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355218;MM355218;CC(CF)=C(C)C(F)=CF;SGHHIWHWQJCMAO-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355219;MM355219;OCC1CC2CC2(CF)C1;ACPXAZISSGAMPU-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355220;MM355220;CC=C(C)C(F)=C(C)CN;KJLFHHCRHRLGQL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355221;MM355221;CCC(N)C(C)C=NOC;LXLFIODGUOFKKU-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355222;MM355222;CC(=CF)C(F)=C(C)CN;YOEWRWBXEHPRRM-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355223;MM355223;C=C1C(C#N)=CCC1CO;MVCFZRAGQYOBSP-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355224;MM355224;CC(=CF)C(F)=C(C)CF;DXZHAYVCYVHVNS-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355225;MM355225;CCC(C)C(N)C=NOC;VMYDPPHLQWRCCZ-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355226;MM355226;CC=C(F)C(F)=C(C)CN;GYXAEUPMOIAPNQ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355227;MM355227;CON=CC(N)C(N)CO;SSPVDOXZDZHMPL-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355228;MM355228;CC(CN)=C(F)C(F)=CF;NYAYSSCXVYFBIN-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355229;MM355229;CCC(O)C(N)C=NOC;TZZNKWLMVPFPGR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355230;MM355230;CC=C(C)C(C)=C(C)OC;ZWWTXTPVJYFYQC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355231;MM355231;C#Cc1n[nH]c(NC)c1N;QBAABLULKMKLRU-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355232;MM355232;COC(C)=C(C)C(C)=CF;HWVQRBIGPXLHPS-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355233;MM355233;CON=CC(O)C(N)CO;IYMIAXPZTSRCRU-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355234;MM355234;CC=C(F)C(C)=C(C)OC;BGCYSXSXFQXHDL-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355235;MM355235;CON=CC(O)C(O)CN;USVKNTGZWWSCGJ-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355236;MM355236;CCC(C)=C(C)C(C)=NN;KQLWWNJAGUSVTN-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355237;MM355237;CC1CC(CO)C1C;IUWXETKIVHBMLH-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355238;MM355238;C=NN(C=O)CC(C)C=O;JZYKKVRFTKVKIT-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355239;MM355239;O=CCCCN1CC1;RZCKLPLQOYBCHA-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355240;MM355240;CC(=NO)C(C)=C(C)CO;BPHBLORNSMMSDF-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355241;MM355241;CON=CC(O)C(F)CN;JTOYVCCHKXUYEE-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355242;MM355242;CC(=NO)C(C)=C(C)CF;KIUUAXVSJJSAAH-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355243;MM355243;C#CC1CN1CC=O;LNNDQLBDUUPJGV-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355244;MM355244;CC(=NO)C(C)=C(N)CN;UQIZTCODMZQSIX-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355245;MM355245;CC#CC=CC(C)(C)O;GUWUECOUTFFBOL-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355246;MM355246;CCC(F)=C(C)C(C)=NN;LTTXZOYUHNEPPH-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355247;MM355247;CNC(C)C(C)C=NOC;RRAYRJSTDHPMHM-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355248;MM355248;CCC(C)=C(F)C(C)=NN;DMLXZYZWCBLZIL-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355249;MM355249;C=C(C)CC(=C)C(C)O;QVZLHGSGSVGLMV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355250;MM355250;C=CC1(C=C)CC(CO)C1;GJQQOZSSUIMQFT-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355251;MM355251;CON=CC(N)C(C)OC;POWMCQFBFINGBY-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355252;MM355252;CC(=NN)C(F)=C(C)CF;NCRXNARLOIOELX-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355253;MM355253;C=C(C)C=C(C)C(C)O;PXBHDNMZXXGCEF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355254;MM355254;CC(=NO)C(F)=C(C)CO;BCSILOZJECNTEL-UHFFFAOYSA-N;147.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355255;MM355255;CCN(C)C(C)C=CCN;ALSKYWPLBMKALY-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355256;MM355256;CCN(C)C(C)C=CCO;BXTIDFKWXRSLCE-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355257;MM355257;C=CC1(C=O)CC(CO)C1;XSSNHFZPGOYOFC-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355258;MM355258;CCN(C)C(C)C=CCF;MSIPYJDFOBTJGD-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355259;MM355259;CCC(F)=C(F)C(C)=NN;ICEIRXQUQNUJLB-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355260;MM355260;CCN(C)C(C)C=COC;CDVLINMVSYRJJX-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355261;MM355261;CN=C(C)C(C)=C(C)NN;OSFPMFGPYTVTJY-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355262;MM355262;CNN=CN(C)C(C)CN;YSIIUCFLRHOETF-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355263;MM355263;CN=C(C)C(C)=C(C)NO;LZFDELAUJSUUHL-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355264;MM355264;CC(=CC#N)CC(C)O;IXUWHYHYONLEAK-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355265;MM355265;CNC(=N)C(C)=C(C)NN;TXMBBANFFZZZFH-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355266;MM355266;C=CC(O)CCC(=C)C;INSRWNOFDDRAKZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355267;MM355267;COC(C)=C(C)C(C)=NO;MMKAWUXSBYJOSW-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355268;MM355268;C=C(C)C=CC(O)CC;XJWRCCVEHFETLQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355269;MM355269;C=CC(C)=C(C)C(C)=CC;GWZUQERGXCJNSQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355270;MM355270;CC(CN)N(C)N=CCF;KRWZELJHEVIVOS-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355271;MM355271;CC=C(C)C(C)=C(C)C=O;ZTHRWORPMVOTHW-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355272;MM355272;C#CC(C)(C)C1CC1O;LICPPXFTBZMTMY-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355273;MM355273;CC=C(C)C(C)=C(C)C#N;JJYKWTPZMUYUFZ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355274;MM355274;CCN=CN(C)N(C)CC;WZWFUEFXVVJANX-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355275;MM355275;C=CC(C)=C(C)C(C)=CF;CLOPCKCNDSMUEZ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355276;MM355276;C=CC=CC(C)C(C)CC;PDUUKTIFRIHBEQ-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355277;MM355277;CC(=CF)C(C)=C(C)C=O;VGZXRZPKJJEBDP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355278;MM355278;CCC(C)C(C)C=CC=O;JOMSRFCSOJKJHH-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355279;MM355279;CC(=CF)C(C)=C(C)C#N;JOOZWAJBLHFNER-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355280;MM355280;C#CC12C=CC(O)(C1)C2;DIDMOSAXJQCAKE-UHFFFAOYSA-N;120.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355281;MM355281;C=CC(C)=C(C)C(F)=CC;GSJMINIZZYHHCR-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355282;MM355282;C#CC=CC(O)CCC;DMKABOBQOYFOAO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355283;MM355283;C=CC=CC(C)C(N)CC;IXWPPZQBOFCDDQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355284;MM355284;CC=C(F)C(C)=C(C)C=O;SPWOBEAZWVPWBO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355285;MM355285;C=CC=CC(C)C(N)CF;SMNZFJYWDJNLQP-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355286;MM355286;C=CC(C)=C(C)C(F)=CF;OGGAAFSCSCZQFB-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355287;MM355287;CCC#CC(C)C(C)O;FZRJIIPYALLFFK-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355288;MM355288;CC(C#N)=C(C)C(F)=CF;QFXXNKNOMFUQHO-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355289;MM355289;C=CC=CCC(O)C=C;VDZVLUMVRXPKNF-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355290;MM355290;CC=C(C)C(N)=C(C)C=O;VWEPLMBAZJMVJC-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355291;MM355291;C=CC=CC(C)C(O)CO;DILDPMSTYSPCHX-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355292;MM355292;CC=C(C)C(N)=C(F)C=O;FLERXAIGVUIUMA-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355293;MM355293;CCC(F)C(C)C=CC=O;WNTXXWLZBLUOJN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355294;MM355294;CC=C(C)C(N)=C(F)C#N;ZJXXXWVPSHYGGX-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355295;MM355295;CCC(F)C(C)C=CC#N;XBSAAVMKMMZCSN-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355296;MM355296;CC(C#N)=C(N)C(F)=CF;BVYKIXPVUBUQIC-UHFFFAOYSA-N;144.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355297;MM355297;C=CC=CC(C)C(F)CN;CMVVTXVPCUSZBO-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355298;MM355298;CC(=CF)C(F)=C(C)C=O;ZZSMYONRYLWRTH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355299;MM355299;CC(C=CC#N)C(F)CO;SPXJGFSSAIIETR-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355300;MM355300;CC=C(F)C(F)=C(C)C#N;VUYPBLLUAUXGPV-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355301;MM355301;CC(C=CC#N)C(F)CF;DOJDAJDBCWQEPL-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355302;MM355302;C=CC(C)=C(C)C(C)=NN;ZJPGTCMLTRRUHJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355303;MM355303;C=CC=CC(N)C(C)CC;WBYNLBGAFKFLEU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355304;MM355304;CC(=NO)C(C)=C(C)C#N;NNROAEHFZCJOMA-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355305;MM355305;C=CC=CC(N)C(N)CF;PCVRVJWVEUWGOX-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355306;MM355306;CC(=NO)C(N)=C(F)C=O;RWYQUDOVSMDAPK-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355307;MM355307;C=CC=CC(N)C(O)CC;NJJSYTJGJILKIM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355308;MM355308;CC#CC(OC)C(=O)O;UOGMWQJGIAZXQQ-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355309;MM355309;C#CCC(CO)CC#C;QCQDXFLZGCVLTR-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355310;MM355310;O=C(O)C(O)CO;RBNPOMFGQQGHHO-UHFFFAOYSA-N;106.08;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355311;MM355311;C=CC=CC(O)C(N)CC;GALZENNESRWVRG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355312;MM355312;C#CC(C)=C(C)C(C)=CC;ONGUWQXBSFCISA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355313;MM355313;C=CC=CC(O)C(N)CN;FHCWYRBFLAVTFT-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355314;MM355314;C#CC(C)=C(C)C(C)=CF;OIEZVHXYGOOVDN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355315;MM355315;CCC(O)C(O)C=CC=O;VJSPVINCUFJDJJ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355316;MM355316;C#CC(F)=C(C)C(C)=CC;IEJPIEFMSCDBBO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355317;MM355317;N#CC=CC(O)C(F)CO;KVKXYOASFHAPHM-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355318;MM355318;C#CC(C)=C(C)C(F)=CC;NOZWFUYNVMCCAF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355319;MM355319;C=CC=CC(F)C(N)CO;ZQIATFZGFVDJGB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355320;MM355320;C#CC(C)=C(C)C(F)=CF;JMPCWPAMKZPPLP-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355321;MM355321;C=CC=CC(F)C(O)CO;SAQIFVMPRSIQNG-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355322;MM355322;C#CC(C)=C(F)C(C)=CC;VXYIYDFYPCKOTO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355323;MM355323;C=CC=CC(C)C(C)NC;OTMJGTOXANPJBA-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355324;MM355324;C#CC(C)=C(F)C(C)=CF;TUKWJAFBKJDRPS-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355325;MM355325;CNC(C)C(C)C=CC#N;YRKXFOIGWGSGEH-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355326;MM355326;C#CC(C)=C(F)C(C)=NN;CKUQOYAZWCTRNN-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355327;MM355327;CNC(C)C(O)C=CC=O;WCVNJLIKVNUTCA-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355328;MM355328;OC=C1C=CN=N1;KFZTXYWCOCNSRX-UHFFFAOYSA-N;96.09;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355329;MM355329;COC(C)C(C)C=CC#N;NGPVPHLFECDNCW-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355330;MM355330;CC(CCCN)CCCO;KBYPYYLFQUNZEL-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355331;MM355331;COC(C)C(O)C=CC=O;XUYXDNRSYLJACU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355332;MM355332;CC(CCCN)CCCF;WZCJEEKJUAQDBF-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355333;MM355333;COC(C)C(O)C=CC#N;PSQPCGOTTOFHKM-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355334;MM355334;NCCCC(O)CCCF;JCRJNOFPRAGFLP-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355335;MM355335;C=NN=CC(C)C(C)CC;HLWIVTIBDAVXBB-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355336;MM355336;NCCCC(F)CCCO;ICTJVSOYTUQUAB-UHFFFAOYSA-N;149.21;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355337;MM355337;C=NN=CC(C)C(C)CN;SJQTZFCNTKSJNG-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355338;MM355338;OCCCC(F)CCCF;VOAXOTVRDCKORV-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355339;MM355339;C=NN=CC(C)C(N)CC;XYKRARUSHWHXKZ-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355340;MM355340;CNCCC(C)CCCF;BLELOUONFAWECD-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355341;MM355341;C=NN=CC(C)C(N)CN;CVNKZWRXUADJHX-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355342;MM355342;CCCCC(F)CCNC;MROVJSYNJHUFPN-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355343;MM355343;C=NN=CC(C)C(O)CC;VAHVFUXCBCQZMP-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355344;MM355344;COCCC(F)CCCF;UDNZNGSCDLAQOV-UHFFFAOYSA-N;152.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355345;MM355345;C=NN=CC(C)C(O)CN;ZOLAFJAJMXZCSF-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355346;MM355346;CNCCC(N)CCNC;BZWLMOHGKPGSDU-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355347;MM355347;C=NN=CC(C)C(F)CC;WFSZMFNTOVCYSH-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355348;MM355348;CNCCC(F)CCNC;MOYVSJLMSVEREZ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355349;MM355349;C=NN=CC(N)C(C)CC;BDLYJXFRUQYDFP-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355350;MM355350;CNCCC(N)CCOC;ZLGWCIIQAYQAMI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355351;MM355351;C=NN=CC(O)C(N)CC;URSZFGGJPJIBON-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355352;MM355352;COCCC(O)CCOC;YLJLGSWBEIQTAV-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355353;MM355353;C=NN=CC(O)C(N)CN;KNRUDBHSMKIZRP-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355354;MM355354;CCCCC(N)CNCC;DRBQUKCQICWKEH-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355355;MM355355;C=NN=CC(O)C(N)CO;PTXVVECVVCZCMW-UHFFFAOYSA-N;145.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355356;MM355356;CCNCC(F)CCCF;BKYKOZGHYUYALL-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355357;MM355357;C=NN=CC(O)C(O)CC;OPVMCGMKZFTPBF-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355358;MM355358;CCOCC(N)CCCF;RZMJRAGCOGUBAW-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355359;MM355359;C=NN=CC(O)C(O)CN;AMJJNXWMPVTPFP-UHFFFAOYSA-N;145.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355360;MM355360;CCOCC(F)CCCO;OQCLYTAKHCXXQT-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355361;MM355361;C=NN=CC(O)C(O)CO;QRRKYZGLQLYLEG-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355362;MM355362;CCOCC(F)CCNC;TVTFPIAVNAVOJZ-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355363;MM355363;C=NN=CC(O)C(F)CN;ZZXFPUAYSMBLDJ-UHFFFAOYSA-N;147.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355364;MM355364;CCNCC(N)COCC;YTRAGAIDWDSAMV-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355365;MM355365;C=NN=CC(F)C(C)CC;LCQGHJUNPMGQET-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355366;MM355366;CCCCC(C)NCCN;GLJJWFXKQHNNGY-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355367;MM355367;C=NN=CC(F)C(C)CN;WNVUPPRGJCDXSX-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355368;MM355368;C=NN=CC(F)C(C)CO;OHLVSDKRVOHNSI-UHFFFAOYSA-N;146.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355369;MM355369;CCCNC(C)CCCN;BTGVSILVDOTEFT-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355370;MM355370;C=NN=CC(O)C(C)NC;GJINEHOCANBLDR-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355371;MM355371;CC(CCCN)NCCN;VEYAUBIUTSVURE-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355372;MM355372;C=NN=CC(O)C(C)OC;CAWOZPSZWWJCTJ-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355373;MM355373;CCCNC(C)CCCO;ZFFKZRNPHJKVJW-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355374;MM355374;CCN(C)C(C)C=CC=O;GULCHNUTFNIPJZ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355375;MM355375;CCCNC(C)CCCF;AIDVAWLDRBLBBN-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355376;MM355376;CCC(C)N(C)C=CC=O;FXSNFFWEAISOJG-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355377;MM355377;CCCNC(C)CCNC;BWZFUHKJKPUKSV-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355378;MM355378;CCC(C)N(C)C=CC#N;LCWPWJXNPRPRJZ-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355379;MM355379;CNCCC(C)NCCN;RDEHSOMDUCWUJI-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355380;MM355380;CC(CF)N(C)C=CC=O;NMJZVNWDSANYOO-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355381;MM355381;CCCNC(C)CNCC;QMGUYNTVLUUDHM-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355382;MM355382;CC1=NC(NN)=NC1=O;CJAQTSFLMBIRKF-UHFFFAOYSA-N;126.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355383;MM355383;CCOCC(C)NCCO;FCFBBHJRROVITN-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355384;MM355384;CC#CC1=CCC(O)C1;UGLSGSUMJZSRQO-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355385;MM355385;CCCCC(C)OCCN;AKTGSPLRBULQHL-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355386;MM355386;Cn1nnc(NC=N)n1;OVJBSXWIZLGRCP-UHFFFAOYSA-N;126.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355387;MM355387;CC(CCCN)OCCF;FBAKRBGNCCMLMF-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355388;MM355388;CCC1CC(CO)C1C;WIXJZEGCEXESQZ-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355389;MM355389;CC(CCCO)OCCN;WFZIQNSBXUGBNF-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355390;MM355390;CC1C(CO)CC1CO;NTIZGYLXDRLUQJ-UHFFFAOYSA-N;130.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355391;MM355391;COCOC(C)CCCO;QQIZDMIXZLYQJT-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355392;MM355392;CCN(C)N(C)C=NC=O;DFUVAQSSGRYRNX-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355393;MM355393;CNCCC(C)OCCN;ZOKDMEXBZAOGNB-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355394;MM355394;C=NN=CN(C)N(C)CC;RDUGHEZTKZGTAJ-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355395;MM355395;CNCCC(C)OCOC;WTXDEWUBHCXWOA-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355396;MM355396;C#CC=CC(C)C(C)CC;LGWJKJQVFGLXAS-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355397;MM355397;CCNCC(C)OCCO;DEGGTFUTODIJKZ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355398;MM355398;C#CC=CC(C)C(C)CN;KPJHWIPSTRRETJ-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355399;MM355399;CCNCC(C)OCOC;CFKPZIIETKZRMD-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355400;MM355400;C#CC=CC(C)C(N)CC;RBWYELVQUCYMSF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355401;MM355401;CC(OCCN)OCCO;OJIZQDKVSJIKEY-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355402;MM355402;CC1C(CO)CC1CF;CRJHGSXZPUDQEZ-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355403;MM355403;CC(OCCF)OCCF;JLBVACMJFANSEK-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355404;MM355404;C#CC=CC(N)C(C)CC;JQOIFRDFQQPFLZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355405;MM355405;CN(CCCN)CCCO;QKOQNFANCJNXRA-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355406;MM355406;C#CC=CC(N)C(C)CO;JRSWAGUTEQDQCT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355407;MM355407;CNCCN(C)CCCN;VLYJTJAYGSDXDI-UHFFFAOYSA-N;145.25;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355408;MM355408;C#CC=CC(N)C(N)CN;YYFTWNOIRPPWPS-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355409;MM355409;CNCCN(C)CCCO;LDUFMXRXOFUKCS-UHFFFAOYSA-N;146.23;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355410;MM355410;C#CC=CC(N)C(N)CF;BSFBSGJZZPDCSF-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355411;MM355411;CNCCN(C)CCOC;YLYKWCBMDLKEJG-UHFFFAOYSA-N;146.23;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355412;MM355412;C#CC=CC(N)C(O)CO;DCOFTDQGWLDDIU-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355413;MM355413;COCCN(C)CCOC;WOMNOVKEEOBOTB-UHFFFAOYSA-N;147.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355414;MM355414;C#CC=CC(N)C(O)CF;VSOCODNEQDULHC-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355415;MM355415;C=CCCC(N)CCCN;PNIHENOECZNMDB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355416;MM355416;C#CC=CC(N)C(F)CN;WAZWYAMKYVESRF-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355417;MM355417;C=CCCC(N)CCCO;NVGAHXCJCLVJDP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355418;MM355418;COn1nnc(F)c1N;ICFUSBDUFAOSQJ-UHFFFAOYSA-N;132.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355419;MM355419;C=CCCC(N)CCCF;XBZOXFZCCZTWSX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355420;MM355420;C#CC=CC(O)C(C)CN;PGQBMSXZDSDWBR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355421;MM355421;O=CCCC(O)CCCO;ICJBZRLGYRILSY-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355422;MM355422;C#CC=CC(O)C(N)CO;VUAJEBPPLUQLGL-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355423;MM355423;O=CCCC(F)CCCF;ITLDEILVAHEHAM-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355424;MM355424;C#CC=CC(O)C(N)CF;DUMLPWNUKHISAZ-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355425;MM355425;C=CCCC(N)CCNC;PZLAMXWTZKBKPG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355426;MM355426;C#CC=CC(O)C(O)CN;SADJSGYGQQSRKJ-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355427;MM355427;C=CCCC(F)CCNC;XEIJVLCYBDZYKI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355428;MM355428;C#CC=CC(O)C(O)CO;JZEKIUJKPMQRQS-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355429;MM355429;COCCC(F)CCC=O;RRLUGTLCIPGCIQ-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355430;MM355430;C#CC=CC(O)C(F)CN;WWLSJENVUYEHSQ-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355431;MM355431;O=CNCC(O)CCCO;JDDCQOWECLFJIZ-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355432;MM355432;C#CC=CC(O)C(F)CO;XYHLGIJSVIEWSB-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355433;MM355433;O=CC1(C=O)CC(CO)C1;AYUDOTPBGFCGSH-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355434;MM355434;C#CC=CC(F)C(C)CO;OYVGVLLFYFTNPW-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355435;MM355435;C=NNCC(C)CCNC;GYZFGSWGSUCNDC-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355436;MM355436;C#CC=CC(F)C(O)CC;LTTCNUUWXGLJOK-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355437;MM355437;C=NNCC(O)CCNC;HZRLSXQXAYPAIL-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355438;MM355438;C#CC=CC(C)C(C)NC;HHXHSTNYCGUMBL-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355439;MM355439;COCCC(N)CNC=N;OLWKMGFSTMNXEW-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355440;MM355440;C#CC=CC(C)C(C)OC;WLOJQRJMVMGQCN-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355441;MM355441;C#CC1(CO)CC1C(C)C;ZBOSNHCOETWMKW-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355442;MM355442;C#CC=CC(C)N(C)CC;SDFVFKYUBVVZNV-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355443;MM355443;CCCCC(N)COC=O;DBQGPMRADOPPFI-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355444;MM355444;CCC=CC(C)C(C)C#N;YBKPIORQDLREPX-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355445;MM355445;C=COCC(N)CCCO;USCZBXKIRRLFRK-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355446;MM355446;C=CC(N)C(C)C=CCN;JNNMBNOBGNCRQT-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355447;MM355447;C=COCC(O)CCCO;RAQLJNHTVOPZSV-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355448;MM355448;C=CC(O)C(C)C=CCN;NSNDQFJPDDOLBR-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355449;MM355449;CCCCC(F)COC=O;FNGYZEFIBJEQTQ-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355450;MM355450;CCC=CC(C)C(O)C=O;OSKKSHGSRNUEPD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355451;MM355451;O=COCC(F)CCCF;MUVGSGQLIXXWNI-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355452;MM355452;CC(C=CCO)C(O)C#N;MSYWROAGLDZQQU-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355453;MM355453;C=NOCC(C)CCNC;GQGVKADZBBSOGB-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355454;MM355454;C=CC(C)C(N)C=CCC;MOOZBGKPJNEDRF-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355455;MM355455;C=COCC(N)CCOC;JQWQFCBNGRSCDS-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355456;MM355456;C=CC(C)C(N)C=CCF;BJAJGUUUOWHHNQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355457;MM355457;C=NOCC(N)CCOC;CFXOIDXWKKIJRV-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355458;MM355458;C=CCCC(N)CNCC;QYYQSLFKARRTEK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355459;MM355459;CC(C#N)C(O)C=CCO;ZGUCTLITANDASF-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355460;MM355460;CCNCC(F)CCC=O;SVCUEPLZWOOADG-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355461;MM355461;C=CC(N)C(O)C=CCC;HXURWHAUZGNZAO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355462;MM355462;C=NNCC(C)CNCC;VQTJLRZDVGUJMO-UHFFFAOYSA-N;143.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355463;MM355463;N#CC(O)C(O)C=CCO;KEKSHOPDMAUZLU-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355464;MM355464;C=NNCC(O)CNCC;TXHBRIFAAMVBAS-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355465;MM355465;O=CC(F)C(O)C=CCO;QUQSXGNFHDPXLW-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355466;MM355466;CCNCC(C)COC=O;BIHFVACLZNUOAN-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355467;MM355467;C=CC(C)C(F)C=CCC;XRXQYUWKMHQRAE-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355468;MM355468;C=COCC(N)CNCC;UGRIGTVUXUDKJY-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355469;MM355469;O=CC(O)C(F)C=CCO;KKLZDGSPSYBBIJ-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355470;MM355470;C=COCC(O)CNCC;OQUMGVJUPCKUSK-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355471;MM355471;N#CC(O)C(F)C=CCO;MUXXNKUWLIQODJ-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355472;MM355472;C#CC1(CC)C=CC(O)C1;RXQBBPJKJJAZEY-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355473;MM355473;C=CC(N)C(C)C=COC;UCRWOSOQSUJEOS-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355474;MM355474;CCOCC(N)CNC=N;UNGGCDBIMJOKMN-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355475;MM355475;COC=CC(C)C(O)C#N;VTKNPNNKROWPTD-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355476;MM355476;CCOCC(O)CNC=N;UMVXOTXAPAJFAM-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355477;MM355477;C=CC(C)C(N)C=COC;KRKQCGOXQYPLPA-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355478;MM355478;C=NNCC(C)COCC;PTSYNYOVBQWUKW-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355479;MM355479;COC=CC(O)C(O)C=O;DTXKVHZDIVSFFI-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355480;MM355480;C=NNCC(N)COCC;CLXJYXBWEKQOFJ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355481;MM355481;C=CC(F)C(O)C=COC;ZQYRLSCSPFCBCM-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355482;MM355482;CC(CCCO)NCC=O;SIIPLWOZWXUSPB-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355483;MM355483;C=CC(C)C(C)C=NNC;SWRWQSOEXJOACC-UHFFFAOYSA-N;140.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355484;MM355484;CC(CCCF)NCC=O;UKYKGWOZAIZITP-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355485;MM355485;CNN=CC(C)C(C)C#N;RPZAMUQLBAIKAG-UHFFFAOYSA-N;139.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355486;MM355486;C=CCNC(C)CCNC;ZBMNVJROHIENSU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355487;MM355487;CC1C(=O)CN1CC=O;BSSHMCNKUBRNOL-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355488;MM355488;CNCCC(C)NCC#N;PXIDEYNBNRLXKP-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355489;MM355489;C=CC(N)C(N)C=NNC;DPMYDRQHOWRTSP-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355490;MM355490;COCCC(C)NCC#N;OIRWCRYUCLTMMP-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355491;MM355491;CC#CC1CN1CC=O;DABSPLOLGHBZRQ-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355492;MM355492;CC(CCCN)NNC=O;QTYFLSMDWIKFTP-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355493;MM355493;C=CC(N)C(O)C=NNC;LANVPMKYWXLXLR-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355494;MM355494;C=CCNC(C)CNCC;RAVMVPCXOKKKSI-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355495;MM355495;CCOCC(C)NNC=N;AMOROIDVDCXSKM-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355496;MM355496;C=CC(C=O)C1CN1C;BSTUMPOTOQUNSV-UHFFFAOYSA-N;125.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355497;MM355497;C=CCOC(C)CCCN;BERWOVOYRQUGOW-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355498;MM355498;C=CC(C)C(F)C=NNC;CVWCKGCLIYPAFY-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355499;MM355499;CC(CCCO)OCC#N;WKRGBVBNVXUOGR-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355500;MM355500;CC1CN1CCCC=O;DKAFHFOUWVEDFG-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355501;MM355501;C=CCOC(C)CCNC;AFDYOWOCWFMNNL-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355502;MM355502;CCC(C=O)C=NNC;GVPJFTALXXSIGD-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355503;MM355503;COCCC(C)OCC#N;KROUAYTYKMPGGH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355504;MM355504;C#CC1C=CC(CO)C1;CCOGHBCKXANYMP-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355505;MM355505;CCCCC(C)ONC=O;VNWPISRHVZHQAF-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355506;MM355506;O=CC12CC1C(=O)CN2;KRWDQBNMBMLJDO-UHFFFAOYSA-N;125.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355507;MM355507;CC(CCCO)ONC=N;DWZRHFOUOFMDHF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355508;MM355508;N=CNN=c1occo1;SOVDNJRTMPJIRJ-UHFFFAOYSA-N;127.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355509;MM355509;CNCCC(C)ONC=N;MHYIECMHXKGPGK-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355510;MM355510;C=NOCC#CCC=O;YSFAYVTXCUCXGP-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355511;MM355511;CNCCC(C)ONC=O;MUYJGJGWINQDRO-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355512;MM355512;C=CC#CCC(C)(O)C=C;NNBJEJFLKIOMLK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355513;MM355513;C=CCOC(C)CNCC;YGNZGCFCXPTKPQ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355514;MM355514;CON=CC(F)C(O)C=O;QLAJEAWFQZMPEL-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355515;MM355515;CCNCC(C)ONC=O;ZKLQCJPZVCLNJN-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355516;MM355516;CC(C=CCN)N(C)C=N;XXYQAKHGLZXABB-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355517;MM355517;CCOCC(C)OCC#N;MURLURYROYYQQG-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355518;MM355518;CCC=CC(C)N(N)C=N;ZNQUTXYYPDPJAP-UHFFFAOYSA-N;141.22;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355519;MM355519;C=CCCC(C)NCCN;XGPCATWEVJECFS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355520;MM355520;C=C(CC)CC(=C)C(C)O;NKKHDMSPNLFQSO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355521;MM355521;C=CCCC(C)NCCO;XTAWPSPKUKSGBR-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355522;MM355522;COC=CC(C)N(N)C=N;HOLAFKCKKMZZFL-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355523;MM355523;CC(CCC=O)NCCO;SCJBHRAUSNAVID-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355524;MM355524;CNN=CC(C)N(C)C=N;RNKDEDBOWKEKRQ-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355525;MM355525;C=NNCC(C)NCCC;LXPJQGBEVMBPCU-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355526;MM355526;CCN=CN(C)C(C)C=O;IOTKNMCPBBWVCD-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355527;MM355527;COCOC(C)CCC=O;QZWDVGVDADXFTH-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355528;MM355528;CCN=CN(C)C(C)C#N;FWRRJOBJTZZDDI-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355529;MM355529;COCOC(C)CCC#N;LVBHMJHZKPUHEI-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355530;MM355530;C=C(CC(C)=CC)C(C)O;XVRWAHLLNWCBGH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355531;MM355531;CC(CNC=N)OCCF;DLXPLXAUFGLGKU-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355532;MM355532;C=C(C=C(C)C(C)O)CC;QYGALQYZQDUDDH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355533;MM355533;CC(CNC=O)OCCF;GJNNJSFDFDTEOG-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355534;MM355534;CCN=CN(C)N(C)C=N;UTQYVMCSFGPPGC-UHFFFAOYSA-N;142.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355535;MM355535;C=NOCC(C)OCCN;BIQROAPWHZGUGU-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355536;MM355536;C=CC=CC(C)C(C)C=C;RXZXDBPKZCCOPS-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355537;MM355537;CCCOC(C)OCC=O;RCTAFHAXYRRITN-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355538;MM355538;C=CC(C)C(C)C=CC#N;YKEYGXADDXYAOC-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355539;MM355539;CCCOC(C)OCC#N;RKPAQDNPQAQTRI-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355540;MM355540;C=CC=CC(C)C(C)C#N;GJKOQJZPMOWXQJ-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355541;MM355541;C=CCOC(C)OCCO;SAFKLRBTXOORSE-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355542;MM355542;CC(C#N)C(C)C=CC=O;XTXOSKJSCUDIGD-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355543;MM355543;CCCOC(C)ONC=N;IFNZJWXAELXPJW-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355544;MM355544;CC(C=O)C(C)C=CC#N;BTVMZMMONVQABM-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355545;MM355545;CCCOC(C)ONC=O;LLJHQBRBNGHXLA-UHFFFAOYSA-N;147.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355546;MM355546;CC(C#N)C(C)C=CC#N;SJRUCBPFQXTFFT-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355547;MM355547;CC(OCCO)ONC=O;USFHYOLPNHKLGZ-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355548;MM355548;C=C(C=C(C)C(C)O)CF;LNWCGYLJFAVTLL-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355549;MM355549;CC(OCCF)ONC=N;YFPSMWRHMDIJAW-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355550;MM355550;C=CC=CC(C)C(O)C=O;CJZCQGJRPTVWCX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355551;MM355551;C=CCCN(C)CCCO;BXCFXHXHFYEIGK-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355552;MM355552;CC(C=CC#N)C(O)C=O;MUJTXWSWSDUTJS-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355553;MM355553;CN(CCC=O)CCCO;MORNBCKIYHOJGP-UHFFFAOYSA-N;145.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355554;MM355554;CC(C=CC=O)C(O)C#N;VSUZSEPGCLMPEM-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355555;MM355555;C=CCCN(C)CCCF;QBKQZXIRQIMMDD-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355556;MM355556;C=CC=CC(C)C(F)C=C;DVZCVQUCHOVYPI-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355557;MM355557;CN(CCC=O)CCCF;NRQWCLBIWYLJCP-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355558;MM355558;C=CC(F)C(C)C=CC#N;FMMNXKBINFBKHG-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355559;MM355559;CNCCN(C)CCC#N;WSKQAACRLNQOIQ-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355560;MM355560;CC(C=CC#N)C(F)C#N;XPSIADSXMNLQOB-UHFFFAOYSA-N;138.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355561;MM355561;C#CCCC(N)CCCF;WLZUXSGQHNGJCY-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355562;MM355562;C=CC=CC(N)C(C)C=C;CPBISJVNHJFSLU-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355563;MM355563;C#CCCC(O)CCCO;TWISWWLFORUCLW-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355564;MM355564;C=CC=CC(N)C(N)C=C;UGTFKWDUFYIUGR-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355565;MM355565;C#CCCC(F)CCCF;XHFAGXNQVQOJCH-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355566;MM355566;C=CC=CC(O)C(C)C=O;XUYUXVZJBOLOAN-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355567;MM355567;C#CCNC(C)CCCN;IGQSRXYUWAEIOH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355568;MM355568;C=CC(O)C(O)C=CC=O;CUQRPYCMUNJLEY-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355569;MM355569;C#CCNC(C)CCCF;OKCYUVNZDDEGDY-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355570;MM355570;C=CC(O)C(O)C=CC#N;GPUYKYXKLGMUEM-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355571;MM355571;C#CCNC(C)CCOC;LXBTZTKNWJXPKG-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355572;MM355572;C=CC=CC(O)C(O)C#N;YTURRFHILNMTMK-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355573;MM355573;C#CCOC(C)OCCF;XWAXIOINKVDNNX-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355574;MM355574;N#CC=CC(O)C(O)C#N;DFMOYEOLAICZPZ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355575;MM355575;C#CCCN(C)CCCN;VFBLPGHDORJSMW-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355576;MM355576;C=CC=CC(F)C(C)C=C;OZQUONHQDQZXSF-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355577;MM355577;C#CCCN(C)CCNC;CBODMLGFKWLFKQ-UHFFFAOYSA-N;140.23;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355578;MM355578;C=CC(C)C(F)C=CC#N;PULGKDFESJJWNT-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355579;MM355579;C#CCCN(C)CCOC;BNTAOEVVNMFVTB-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355580;MM355580;C=CC=CC(F)C(N)C=C;DZUXTVCDLXMDOH-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355581;MM355581;C=CCCC(F)CCC=O;KBTITWRHWTYPPI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355582;MM355582;C=CC(N)C(C)C=NN=C;MKNBIRXZLAFXAX-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355583;MM355583;C=CCCC(O)CNC=N;OPGSTWLMCCNUHR-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355584;MM355584;C=CC(O)C(C)C=NN=C;OITWKBVUMNMJQB-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355585;MM355585;N#CCCC(O)CNC=N;SODLBUKCQWWZTD-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355586;MM355586;C=NN=CC(C)C(O)C=O;FUNVDXKXJYIYHA-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355587;MM355587;N#CCCC(O)CNC=O;WPNFGZKILSLRAM-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355588;MM355588;C=CC(N)C(O)C=NN=C;UCQCDMILPLDPCU-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355589;MM355589;C=CCCC(F)CNC=N;UDFHVWQRWJSNBH-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355590;MM355590;C=CC(O)C(O)C=NN=C;WCPUUFVPJMVGFL-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355591;MM355591;O=CCCC(F)CNC=O;VHJLCHUUFJOWQA-UHFFFAOYSA-N;147.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355592;MM355592;C=NN=CC(O)C(O)C=O;KCNLNLWEXOONNV-UHFFFAOYSA-N;144.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355593;MM355593;N#CCCC(F)CNC=O;XLYGDTDGJNHKBT-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355594;MM355594;C=CC(F)C(O)C=NN=C;HCOYSLOTLFIQQY-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355595;MM355595;C=CCCC(F)CNN=C;VWJNEIWVFJXPEC-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355596;MM355596;C=NN=CC(O)C(F)C#N;PGYJZYXFQCGBNY-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355597;MM355597;C=CCCC(F)COC=O;QSNJCEGXGCHKBM-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355598;MM355598;C=CC(C)C(F)C=NN=C;YIQBLUSLVDIKPI-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355599;MM355599;C=C(C#N)C(=C)C(C)CO;FCCQJXORWQZFBJ-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355600;MM355600;CC(C=CC=O)N(C)C=O;UVGNSCSNHMXZJW-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355601;MM355601;CC(CNC=N)COC=O;ZVKGAEZNICZYCH-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355602;MM355602;C=CC=CC(C)N(C)N=C;IILLQTIHLYPTKR-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355603;MM355603;C=COCC(O)CNC=O;ASKSMBUUFARMPB-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355604;MM355604;C=NN(C)C(C)C=CC#N;QNXMEEKEELVFQX-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355605;MM355605;C=COCC(F)CNC=N;NLMRSGIPAQTIGV-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355606;MM355606;C=CC(C)N(C)C=CC=O;VDKKJRYOFUWTLZ-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355607;MM355607;C=NOCC(N)CNC=N;VQXGGFHZWXIXJI-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355608;MM355608;CC(C#N)N(C)C=CC#N;DNYPHLYVZMKOOP-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355609;MM355609;C=C(C#CCC)C(C)CO;UELPLKSURRDJDA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355610;MM355610;C=CC(C)N(O)C=NC=O;VRAAGSCKZRMUNJ-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355611;MM355611;C=NNCC(C)CON=C;KHJXQTIXEVPCCH-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355612;MM355612;CC(C=O)N(O)C=NC=O;WDJQWPQISSZAGD-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355613;MM355613;C=COCC(N)COC=C;HPSXYFIBVAIDMX-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355614;MM355614;C=CC=NN(C)C(C)C#N;FGNWEVXRZWIXEF-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355615;MM355615;C=COCC(N)CON=C;LQNBTLRJYIQKDO-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355616;MM355616;CC(C#N)N(C)N=CC=O;FJJQLJSAKCLKPS-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355617;MM355617;C#CC#CC(F)C(C)=NN;DTPUZZBORAHQHX-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355618;MM355618;CC(C#N)N(C)N=CC#N;PQXFAQGNVQYOOR-UHFFFAOYSA-N;136.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355619;MM355619;CC(CCC#N)NNC=N;JYBAVOXUIQGNHW-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355620;MM355620;C#CC=CC(C)C(C)C#N;SVEDTQSCRVWMGM-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355621;MM355621;C#CC#CCCC(C)CO;IEMJJGYADKQGSD-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355622;MM355622;C#CC=CC(C)C(N)C=C;FKGCXDKKGDWLKK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355623;MM355623;C=CCNC(C)CNC=O;KIAFVEFOIZAJFI-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355624;MM355624;C#CC=CC(C)C(O)C#N;MSCXUJDUPLZCLC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355625;MM355625;C=NN=CC(C=O)CCC;UIHKEFKRTUCGNX-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355626;MM355626;C#CC=CC(N)C(F)C=C;VKAYBAFULYJRKT-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355627;MM355627;CC(CCC#N)OCC#N;PLSNEKIPVQPNQT-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355628;MM355628;C#CC=CC(O)C(O)C=O;VQUNVTCBORECOY-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355629;MM355629;C=CCCC(C)ONC=O;PBISDPPRKVYHNZ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355630;MM355630;C#CC=CC(O)C(F)C=C;BPXSPUDPDYIOEO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355631;MM355631;C=CCOC(C)CNC=N;LTWLWYIAXKTXLY-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355632;MM355632;C#CC=CC(O)C(F)C=O;LKPOCKYRDXXEEM-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355633;MM355633;C=NNCC(C)ONC=N;YVPZOTFGBHQCLJ-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355634;MM355634;C#CC=CC(F)C(N)C=C;LMAGQZJCXFRRCO-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355635;MM355635;C=NNCC(C)ONC=O;SYGVSOPUJMRDAG-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355636;MM355636;C#CC=NN(C)C(C)C=C;HBYSFHGBGCHAKH-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355637;MM355637;C=COCC(C)OCC#N;GTHRJWPZYJSBOC-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355638;MM355638;C#CC=NN(C)C(C)C#N;WEKLMQSRBHBOPT-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355639;MM355639;C=COCC(C)ONC=O;HVVRUTHMXTXKOE-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355640;MM355640;C#CC(C)C(C)C=CCC;ZZFOPUDEJNMTBU-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355641;MM355641;C=NOCC(C)ONC=N;MHGDLBLYTASCOW-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355642;MM355642;C#CC(O)C(C)C=CCC;XJDWQOUJMCQCMG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355643;MM355643;C=NOCC(C)ONC=O;VDXFPCSPHSSGOL-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355644;MM355644;C#CC(C)C(O)C=CCF;DFBSZBWEQVHRDN-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355645;MM355645;C=CCOC(C)OCC#N;BDCMYCFEQJTCHE-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355646;MM355646;C#CC(N)C(O)C=CCO;GZPKXHOUSJSLFU-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355647;MM355647;C=CCOC(C)ONC=N;MUVAVJYRLQAKIZ-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355648;MM355648;C#CC(N)C(O)C=CCF;RPUBKISMSBZPPU-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355649;MM355649;C=CCCN(C)CCC=O;HFRKVHCRVUEFKY-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355650;MM355650;C#CC(O)C(O)C=CCC;ONHQDDWXVHDVRA-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355651;MM355651;C#CCCC(F)CCC=C;VFZVHMDKHYZOOY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355652;MM355652;C#CC(O)C(O)C=CCF;MYBYWWUJNKLSII-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355653;MM355653;C#CCCC(F)CNC=N;LAEZVTGIRWMSRL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355654;MM355654;C#CC(F)C(O)C=CCN;PYWBSQUFWAAKHL-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355655;MM355655;C#CCCC(F)CNC=O;OROMYUUJPNUMQT-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355656;MM355656;C#CC(O)C(F)C=CCO;AUOBURGTRMVKLS-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355657;MM355657;C#CCNC(C)CCC#N;IAGDUYQXBHCYLU-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355658;MM355658;C#CC(F)C(O)C=COC;HALIYMLXXPDDFI-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355659;MM355659;C#CCCC(C)ONC=N;PQOQLBFLUMWEAD-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355660;MM355660;C#CC(O)C(F)C=COC;VYEKOUHOUQFIQL-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355661;MM355661;C#CCCC(C)ONC=O;JFNCCALKSIVAIE-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355662;MM355662;C#CC(N)C(C)C=NNC;IHQFYZKVSPSRBV-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355663;MM355663;C#CCOC(C)ONC=O;BXURBRVYZQBOJP-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355664;MM355664;CC(=CF)C=C(C)C(C)O;LTGBDIPZKPXFNN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355665;MM355665;C#CCCC(C)CCC#C;SXNBMHIHFIFYOT-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355666;MM355666;C=C(C=NN(C)C)CC=O;HSRNMQVCVQMLDH-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355667;MM355667;C#CCCC(C)OCC#C;PDRZFOZFPCMKJA-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355668;MM355668;COC(=N)NN=CN(C)N;XRKAMSJLRZFXTK-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355669;MM355669;C=C(CCCN)CCCF;BLOCPLSNQHMOPZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355670;MM355670;C#CC(C)N(C)C=NOC;PQEUYJYCNGBFIW-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355671;MM355671;C=C(C#N)CC1C(C)C1O;KQWVYPNFHQOYFM-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355672;MM355672;C=C(CCCF)CCCF;GRNCYAKGSUZVHD-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355673;MM355673;C#CC(C)N(C)N=COC;CIZIIXKYUZZQOS-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355674;MM355674;O=C(CCCO)CCCO;SURBVSJVZUZPOT-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355675;MM355675;C#CC(C)C(C)C=CC=O;GXGVIAVZTVTVEC-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355676;MM355676;O=C(CCCF)CCCF;WTQXMGMFHNUXHD-UHFFFAOYSA-N;150.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355677;MM355677;C#CC(C)C(C)C=CC#N;QJNONBRHCYWWQE-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355678;MM355678;C=C(CCCC)CCNC;URDXMZIALVDJII-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355679;MM355679;C#CC(N)C(C)C=CC=C;DYNKPTOXZRMPQI-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355680;MM355680;CNCCC(=O)CCCF;HQDFIALTEQSILG-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355681;MM355681;C#CC(O)C(C)C=CC=C;IEPARHHKNCXASG-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355682;MM355682;C=C(CCNC)CCNC;QZQHYPDHMUYFRB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355683;MM355683;C#CC(O)C(C)C=CC=O;FYTJZYJDEBJSNB-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355684;MM355684;CNCCC(=O)CCNC;OONHFTKVQQAJKE-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355685;MM355685;C#CC(O)C(C)C=CC#N;BVVIDJWKEGQDRG-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355686;MM355686;C=C(CCCO)CNCC;WAXCPUJLIDVLQW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355687;MM355687;CC(CC#CC(F)F)=NN;UWAIEAQEWAKXOJ-UHFFFAOYSA-N;146.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355688;MM355688;C=C(CCCF)CNCC;GPYDFCLVRWTEDG-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355689;MM355689;C#CC(C)C(O)C=CC=O;JRLQOGCCHZMWOK-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355690;MM355690;C=C(CCCN)COCC;MFPCLGQSFDJLIA-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355691;MM355691;C#CC(O)C(O)C=CC=C;GGMCMMPIRCAFOJ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355692;MM355692;C#CC(CF)ON=CCC;XKNKLBOKOVFOKM-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355693;MM355693;C#CC(C)C(C)C=NN=C;TXKYGQYAYNGIPI-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355694;MM355694;CCOCC(=O)CCCF;GAAKSJUJRRMQIP-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355695;MM355695;C#CC(C)C(O)C=NN=C;JMLWLSKQMYNXRE-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355696;MM355696;CCOCC(=O)CCNC;XCZRRDMTMYCXTQ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355697;MM355697;C#CC(F)C(O)C=NN=C;LJFNLAABECLMRY-UHFFFAOYSA-N;142.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355698;MM355698;CCCCC(=N)NCCC;KPXHGBSFEVESQL-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355699;MM355699;C#CC(C)N(C)C=CC=O;LLLJAEXQGCBVHN-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355700;MM355700;CCCCC(=N)NCCN;GZBGFARYCMCEED-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355701;MM355701;C#CC(C)N(N)C=NC=N;BNSPJOLBCMTKBR-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355702;MM355702;CCCCC(=N)NCCO;CQEAEMJLCXHFMV-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355703;MM355703;C#CC(C)N(N)C=NN=C;GNZZHLZPWFUWTE-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355704;MM355704;CCCCC(=N)NCCF;KKKYPTSBRNPRTA-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355705;MM355705;C#CC=CC(C)C(C)C#C;LFLXBLGGVQMRJJ-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355706;MM355706;CCCNC(=N)CCCF;VEQYVAXRPVJUJP-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355707;MM355707;C#CC=CC(C)C(N)C#C;UBRFGUAEUXMEOF-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355708;MM355708;CCCNC(=O)CCCN;GKZPTBIDONLOQD-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355709;MM355709;C#CC=CC(C)C(O)C#C;FPTLEQRMKKXVCX-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355710;MM355710;O=C(CCCF)NCCF;KXXUEHQBCRTZEO-UHFFFAOYSA-N;151.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355711;MM355711;C#CC=CC(N)C(C)C#C;PPDLJXTUNIKDGX-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355712;MM355712;CCCNC(=N)CCOC;ABXBHECDFDFWHC-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355713;MM355713;CN(CC#N)CCCC=O;DHQDOHOIERLJCP-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355714;MM355714;CCCCC(=N)NNCC;TXMRIUSCMPJIRT-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355715;MM355715;C#CC=CC(O)C(N)C#C;CSBJYIWKUCXITC-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355716;MM355716;CCNNC(=N)CCCN;OUOBGAVLYKOPOE-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355717;MM355717;C#CC=NN(C)C(C)C#C;CAQFBNMJGPAACX-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355718;MM355718;C#CC=NOC(C#C)CF;MYKVEGJOPCEVOE-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355719;MM355719;C=C(CC)C(C)C=CCC;CRHVNHZJFDDBBX-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355720;MM355720;C#CC=C1C=CC2(O)CC12;PGDRTGXCTOGJAQ-UHFFFAOYSA-N;132.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355721;MM355721;C=C(CN)C(C)C=CCO;WGBMAJLHZWBIEV-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355722;MM355722;CCNNC(=N)CCNC;KKENJBBIOUMCDU-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355723;MM355723;C=C(CF)C(C)C=CCC;UVCDGFKKKVPXAI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355724;MM355724;CCNNC(=N)CCOC;BWPJSDXKBJJGDL-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355725;MM355725;CCC(=O)C(C)C=CCO;FWGAYHLISAQCCT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355726;MM355726;CCCNC(=N)CNCC;ANPBREPBTOLETN-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355727;MM355727;C=C(CC)C(N)C=CCO;OTEZICRXEMXREF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355728;MM355728;CCCNC(=N)COCC;NMUCSOVXMUPGDY-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355729;MM355729;C=C(CN)C(N)C=CCC;BFZDXRZPZPRSTG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355730;MM355730;CCOCC(=N)NCCN;NONVZRPQLCATSZ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355731;MM355731;C=C(CN)C(O)C=CCC;MCHYSWJCTXDQRD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355732;MM355732;CCOCC(=N)NCCO;DGGUFGJUDZICOX-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355733;MM355733;CCC(=O)C(O)C=CCF;YPRKCSRFTWALAK-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355734;MM355734;CCOCC(=O)NCCO;ZUAGBTYLPLKOKK-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355735;MM355735;O=C(CF)C(O)C=CCF;OMDFKIBTKUWYTG-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355736;MM355736;C=C(CCCN)OCCO;PXTIGFBIIZHNEU-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355737;MM355737;C=C(CCCN)OCCF;VBLXYXQJLPXIOX-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355738;MM355738;C=C(CC)C(F)C=CCC;IRWMUWSQEHINFF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355739;MM355739;C=C(CCCO)OCCN;GTHCVKRODABVLB-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355740;MM355740;C=C(CN)C(F)C=CCC;DVLVCCWENZOBHC-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355741;MM355741;C=C(CCCO)OCCO;SOLDSIUNMZPWSS-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355742;MM355742;C=C(CO)C(F)C=CCN;FEZUOVJWTLHTNN-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355743;MM355743;C=C(CCCO)OCCF;ZRFDSXKPUFNPGV-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355744;MM355744;CCC(=O)C(F)C=CCO;RVHDJDSOZHGICB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355745;MM355745;NCCCC(=O)OCCF;OTLCWZYQGSMEMR-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355746;MM355746;C=C(CF)C(O)C=COC;JWCKYYCUYCXQMY-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355747;MM355747;C=C(CCNC)OCCF;KBVVQXPHLMJBRN-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355748;MM355748;COC=CC(O)C(=O)CF;HURJSWPZGJCGTB-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355749;MM355749;CNCCC(=O)OCCF;JRAOEEWKTLPDOW-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355750;MM355750;C=C(CC)C(F)C=COC;ZUUNIGNQRDXTGR-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355751;MM355751;C=C(CCOC)OCCN;MXZXEJBVPKJCHZ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355752;MM355752;CNC(=N)C(C)C=CCO;XYEHMCQTDPYXPX-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355753;MM355753;COCCC(=O)OCCO;OKSXENQUQSIQMH-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355754;MM355754;CCC=CC(C)C(=N)NN;BQSJGJGWULUOKQ-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355755;MM355755;C=C(CNCC)OCCO;KGBHMCZMXGEUHY-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355756;MM355756;CCC=CC(C)C(=N)NO;SMPIMDAOCYAWMQ-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355757;MM355757;C=C(COCC)OCOC;ZJRFFBMAVMMAIU-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355758;MM355758;CC(C=CCO)C(=N)NO;SCZPTWAHUQFGNE-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355759;MM355759;CCCNC(=N)NCCF;OTMOPIYUCPHVDS-UHFFFAOYSA-N;147.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355760;MM355760;CNC(=O)C(C)C=CCN;GZPUOMSZGHKNHN-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355761;MM355761;CCCNC(=O)NCCC;AWHORBWDEKTQAX-UHFFFAOYSA-N;144.22;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355762;MM355762;CNC(=O)C(C)C=CCF;RWVMDZXLRWWBFI-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355763;MM355763;CCNNC(=N)NCCO;XZFCHLUPTPUAPJ-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355764;MM355764;CCCC#CC(C)C(C)O;ZSFHFVQWFOSPBJ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355765;MM355765;CCONC(=N)NCCO;BMPDBCIRDRVCGE-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355766;MM355766;CNC(=N)C(O)C=CCO;SACNDYVRHSKEBD-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355767;MM355767;CCCNC(=N)OCCC;IZWLRXYBVVHECE-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355768;MM355768;N=C(NN)C(O)C=CCO;KGWQZRDQTDPTJW-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355769;MM355769;CCCNC(=O)OCCC;KUQUBXKCGBZZLH-UHFFFAOYSA-N;145.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355770;MM355770;CNC(=O)C(O)C=CCN;PVZUHEFAKAMNEX-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355771;MM355771;O=C(NCCF)OCCO;FANMJMGYOOJANF-UHFFFAOYSA-N;151.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355772;MM355772;CNC(=O)C(O)C=CCO;ZXVSMLQNDBXRFA-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355773;MM355773;COCOC(=N)NCCN;JUZNNPFITKHJIE-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355774;MM355774;CC(O)C1CC(CO)C1C;ODJNRIZYHCQMCK-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355775;MM355775;COCOC(=N)NCCO;LTDNHJCQZKWNON-UHFFFAOYSA-N;148.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355776;MM355776;C=C1N=C(CC#N)NC1=N;HMGTUHRZKFUAIY-UHFFFAOYSA-N;134.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355777;MM355777;CCNNC(=N)OCCN;FDIVSVVFAMOLGI-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355778;MM355778;CCC=CC(O)C(=O)NO;VVNQVNVIVGTASN-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355779;MM355779;C=COc1cc(NC)c[nH]1;BEDHURHVNLWOGC-UHFFFAOYSA-N;138.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355780;MM355780;CNC(=O)C(F)C=CCO;AUOYKKPAFXGGMR-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355781;MM355781;NCCOC(=O)OCCO;SUWDHNSIRFVBNF-UHFFFAOYSA-N;149.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355782;MM355782;NNC(=O)C(F)C=CCF;RSOGGVKMJUTCSF-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355783;MM355783;O=C(OCCO)OCCO;ZLEJVZOQPHBPMS-UHFFFAOYSA-N;150.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355784;MM355784;CNC(=N)C(C)C=COC;ADZNXYKQZYICAZ-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355785;MM355785;CCCOC(=O)OCOC;ZMSSBBFIMUUQPV-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355786;MM355786;COC=CC(C)C(=N)NO;OVDMAUQKCGJASG-UHFFFAOYSA-N;144.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355787;MM355787;C=C(C#CCC=O)C1CN1;LPWMXYIWXCLMGQ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355788;MM355788;CNC(=N)C(N)C=COC;MONQIRZZRBLALM-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355789;MM355789;C=C(CCC=O)CCCF;NRMFFUHLIDRQDF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355790;MM355790;COC=CC(O)C(=N)NN;MDRUUTIKSFNUKR-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355791;MM355791;C=CCCC(=O)CCCF;MYMNNMUYZJXKBI-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355792;MM355792;C=CC(O)CCC(=C)CC;KEHWEIFAAAGPCC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355793;MM355793;C=CCCC(=C)CCNC;CFIDBWAWJDVYOP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355794;MM355794;COC=CC(O)C(=O)NO;XSCZYNRNPQJYFT-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355795;MM355795;C=C(CCC=O)CCNC;LCLKVEINTIOWAG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355796;MM355796;C=C(OC)C(C)C=CCO;QFOVSLOAOLFXQP-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355797;MM355797;C=CCCC(=O)CCNC;OVNFEZVJBBVCCQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355798;MM355798;C=C(OC)C(O)C=CCN;NMUVCSAPIKXLMX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355799;MM355799;C=C(CCC=O)CCOC;DNFGYIIIGNRPLJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355800;MM355800;C=C(OC)C(O)C=COC;DPLCQCNTKWYEBE-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355801;MM355801;COCCC(=O)CCC#N;ADIWQAJWGRQOAD-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355802;MM355802;C=C(CC)C(C)C=NNC;QECGKVAFRHSZSV-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355803;MM355803;C=C(CCCN)CNC=N;FXUYNVDEAZNAFJ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355804;MM355804;C=CC(O)CCC(C)=CC;LEIZFRLEZGSBOY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355805;MM355805;C=C(CCCN)CNC=O;YCPDHFUIOUYVJN-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355806;MM355806;C=C(CN)C(N)C=NNC;NBUQRRGBFIFJOT-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355807;MM355807;C=C(CCCO)CNC=N;PNAUEVUQLBWKRR-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355808;MM355808;C=C(CN)C(O)C=NNC;AJKHYXCKLNTVRU-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355809;MM355809;CCc1cnc(NC)nc1;HAUWYEXWTQWCCH-UHFFFAOYSA-N;137.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355810;MM355810;C=CC(O)CCC(C)=CF;SKEJFQJTQYXHGN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355811;MM355811;CCCCC(=O)CN=CN;WHLCPXGNJVMWQL-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355812;MM355812;C=C(C=CC(O)CC)CC;SEDNGFVWBPJINA-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355813;MM355813;C=NNCC(=C)CCCC;SZAPWYBGGARYPH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355814;MM355814;C=C(C=CC(O)CC)CF;RRJUOGIIGXOOAV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355815;MM355815;C=C(CCNC)CNC=N;ZDJRKLRYJFPWQL-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355816;MM355816;CC=C(C)C=CC(O)CC;GFUOWQSRXFWNEV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355817;MM355817;C=C(CCNC)CNC=O;AZTNOTPBNLJVTD-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355818;MM355818;C#CC1(C)CC(CO)C1C;WELKAIRBZFVGKI-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355819;MM355819;C#CC1(CO)CC1C1CC1;ZFRMSHMPXGVPGQ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355820;MM355820;C=C(CF)C(N)C=NOC;KQYAUCZGEVOVSU-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355821;MM355821;C=CCCC(=C)CNCC;NALOGFPUQMBTJC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355822;MM355822;CCC(=O)C(O)C=NOC;BDKFOHMRPOWFRR-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355823;MM355823;C=C(CCC=O)CNCC;IHOCFNQTHOFVED-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355824;MM355824;CON=CC(O)C(=O)CO;QZIJVOJHUORAGF-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355825;MM355825;C=CCCC(=O)CNCC;NKVMRQRQKOFXDT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355826;MM355826;C=C(CC)C(F)C=NOC;GPAIYZGIKZMWFW-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355827;MM355827;C=C(CNCC)COC=O;AUGJQAKWWOKZLA-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355828;MM355828;C#CC(C)=C(C)C(C)CO;JNUYQYJPPAIDIS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355829;MM355829;C=C(CCC=O)COCC;MNZVJIGHGBGHQB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355830;MM355830;CNN=CC(C)C(=N)NC;XNNQBEJDBJBKHG-UHFFFAOYSA-N;142.21;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355831;MM355831;C=CCCC(=O)COCC;HBPDPJHNORFSCB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355832;MM355832;CNN=CC(N)C(=O)NO;ZGZCXBFEXHYBIB-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355833;MM355833;CCOCC(=O)CCC=O;YCZGGINFVBBNHE-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355834;MM355834;C=C(C=NOC)CCC=O;AGFMGERWURHLOU-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355835;MM355835;CCOCC(=O)CN=CN;FCTBTKJLUMOPPW-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355836;MM355836;CC=NNC(C)C(C)C=O;XCPMTDJBOCMAMO-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355837;MM355837;C=CCNC(=N)CCCC;BOYDBLPAAHBEIZ-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355838;MM355838;CNC(=N)C(O)C=NOC;MGUKIJPCFHXUKZ-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355839;MM355839;CCCCC(=N)NCC=O;DMGQQYQZXBFLRZ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355840;MM355840;CNC(=O)C(O)C=NOC;UXYGAQVWFPQLPC-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355841;MM355841;N#CCNC(=N)CCCO;CQYBPVHRKVWMKX-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355842;MM355842;CON=CC(O)C(=O)NN;GRWFDKOGITWLTB-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355843;MM355843;N=C(CCCF)NCC=O;CHHVYFRQSVGJOW-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355844;MM355844;CON=CC(O)C(=O)NO;KMWCEGDKWHZXML-UHFFFAOYSA-N;148.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355845;MM355845;CNCCC(=N)NCC#N;WKXYPFJZZHXBRC-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355846;MM355846;C=CC(O)CC=CC=CC;GFSKZSVAEHRAGJ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355847;MM355847;CNCCC(=O)NCC#N;DHYAUZLAINIEEO-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355848;MM355848;CNN=CC(O)C(=O)OC;JXYIQVAFBWVSPN-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355849;MM355849;COCCC(=N)NCC#N;LVFKUQXUUOCPPD-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355850;MM355850;CCC=CN(C)C(=N)CC;ACGFYOUZJXAACF-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355851;MM355851;COCCC(=O)NCC#N;OFXBGFRWLHGUMK-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355852;MM355852;N=C(CCCF)NNC=O;QNRURTVNAZLXPP-UHFFFAOYSA-N;147.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355853;MM355853;CCC(=N)N(C)C=CCN;DSNVBSXZVKMWSB-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355854;MM355854;NC=NNC(=O)CCCN;LBVBTPWQPZHQDB-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355855;MM355855;CCC(=N)N(C)C=CCF;QOBKPLROHNPRNS-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355856;MM355856;NC=NNC(=O)CCCO;VAAWCWXEKIKUID-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355857;MM355857;CCC=CN(C)C(=N)CO;XTWDTUUVEUSYAU-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355858;MM355858;O=CNNC(=O)CCCF;HZRAIUDERPETNS-UHFFFAOYSA-N;148.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355859;MM355859;CN(C=CCO)C(=N)CO;YUIKNMZYWMSHAL-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P5";;;;;;;-1.11;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355860;MM355860;CCCCC(=O)NOC=O;ZQEDEHDFPBVFRA-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355861;MM355861;CN(C=CCF)C(=N)CO;QLRPXODGQBCLMM-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355862;MM355862;CNCCC(=N)NOC=O;RUWKPBMONXYIPB-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355863;MM355863;CCC(=O)N(C)C=CCF;NVCZNSMRAQZCRX-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355864;MM355864;CCNCC(=O)NCC#N;KZQWNBSMDCAUGP-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355865;MM355865;CN(C=CCO)C(=O)CO;VBUUQMQYYNGMDG-UHFFFAOYSA-N;145.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355866;MM355866;CCOCC(=N)NCC#N;RKAZCNYVRDSCNT-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355867;MM355867;CN(C=CCO)C(=O)CF;SDZSLWXXNRJENJ-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355868;MM355868;CCOCC(=O)NCC#N;SLVKBDYKIGEGGY-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355869;MM355869;N=C(CO)N(N)C=CCO;QJJCAXKVJPFOBW-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355870;MM355870;CCOCC(=O)NOC=O;QEBDPDJEPLCLJL-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355871;MM355871;N=C(CO)N(N)C=CCF;CZAGUHRVROSTNI-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355872;MM355872;C=CCOC(=C)CCCO;JVJHEWARAKRCSX-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355873;MM355873;C=CC(O)CC=CC=CF;JGGQIBNPRMWOEI-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355874;MM355874;C=C(CCCF)OCC=O;LGOBWCLYOFMWPU-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355875;MM355875;N=C(CO)N(O)C=CCN;LPMHOAOEOGGMNS-UHFFFAOYSA-N;145.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355876;MM355876;C=C(CCNC)OCC=O;XACNBOCCLDAHGS-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355877;MM355877;CCC(=O)N(O)C=CCO;BEQGAKVIRCXYLT-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355878;MM355878;C=CCOC(=O)CCNC;IZLQEAVLQFEDAG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355879;MM355879;COC=CN(C)C(=N)CN;OILRCMJBDJMIDO-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355880;MM355880;C=C(CCOC)OCC#N;NFYKDPSDPYSRDM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355881;MM355881;COC=CN(C)C(=N)CO;XLELZBHJYKSENS-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355882;MM355882;CCC(=O)N(C)C=COC;FAMLNYGUNZHBAA-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355883;MM355883;NC=NOC(=O)CCCN;YMUDVGGIYNNPBP-UHFFFAOYSA-N;145.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355884;MM355884;CCC(=N)N(N)C=COC;JXHAHRQMMBBLRH-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355885;MM355885;CNCCC(=O)ON=CN;VNPZNTPKZGFBPQ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355886;MM355886;COC=CN(N)C(=N)CF;VXVIWRBWDGRIKS-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355887;MM355887;CC1(O)C=CC=C1;MZQHSBVBJKIESC-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355888;MM355888;CCC(=O)N(N)C=COC;JMIVWSBEYXDXNX-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355889;MM355889;O=CC1CN1C=O;RLHRRCMBFJUVHR-UHFFFAOYSA-N;99.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355890;MM355890;C=NOC=NNC(C)=NC;OBHIGQNLDQGLSG-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355891;MM355891;C=C(COCC)OCC#N;AUDCNWWJDCAVSD-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355892;MM355892;CNC(=N)N(C)C=CCN;WPJSHSMNDWGKEJ-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355893;MM355893;C=CCOC(=O)COCC;YOAXXWDLGHHXHL-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355894;MM355894;CNC(=N)N(C)C=CCO;UVQFIFQYMWQWKS-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355895;MM355895;C=CCCC(=N)NCCC;FUKFSGZVKORFLK-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355896;MM355896;CCC=CN(C)C(=N)NN;HFBFWUCHHMDCJD-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355897;MM355897;CCCN=C(N)CCC=O;OGRKEFZJTHDPAX-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355898;MM355898;CN(C=CCO)C(=N)NN;SEQOMYRQZXWFSM-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355899;MM355899;CCCNC(=N)CCC#N;DMRDLUKEAVAXJM-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355900;MM355900;CCC=CN(C)C(=N)NO;UCSPASJUTVHPOH-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355901;MM355901;C=CCCC(=N)NCCO;RNORHQQPWXTWCN-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355902;MM355902;CN(C=CCN)C(=N)NO;QVEFCGGGUFQVCC-UHFFFAOYSA-N;144.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355903;MM355903;N#CCCC(=N)NCCO;SLAAIDPNWRVLPM-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355904;MM355904;CN(C=CCO)C(=N)NO;HDPXHBRLPLTTCN-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355905;MM355905;N=C(CCC=O)NCCF;YQEQPXRELKTYNG-UHFFFAOYSA-N;146.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355906;MM355906;CNC(=O)N(C)C=CCN;JWOQQOYYDPFMCR-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355907;MM355907;CCCNC(=O)CN=CN;SAKRNDIJEPQIHY-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355908;MM355908;CNC(=O)N(C)C=CCO;CXANDTLJOLRKRG-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355909;MM355909;CCCNC(=N)COC=O;ZPBCMILANZDQPY-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355910;MM355910;C=CCC#CCC(O)CC;PXJQKUCEYMRQHA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355911;MM355911;C=COCC(=O)NCCC;LSCLPSKHKVTWNO-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355912;MM355912;CN(C=CCN)C(=O)NO;OWHWOZIVLWGZJG-UHFFFAOYSA-N;145.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355913;MM355913;C=COCC(=O)NCCO;NHKVTXBUFNOMET-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355914;MM355914;CN(C=CCO)C(=O)NO;WHVDWSMKMVMXFG-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355915;MM355915;C=NOCC(=N)NCCC;AZOIAEHTHIKHAH-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355916;MM355916;CN(C=CCF)C(=O)NO;DMCBDJPYRGZSRH-UHFFFAOYSA-N;148.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355917;MM355917;C=CCNC(=N)NCCC;GPUJBTVINDYLPH-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355918;MM355918;CCC=CN(N)C(=N)NC;XVVKECIUKJWMMS-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355919;MM355919;CCCNC(=N)NCC=O;GLVBTSIEGZSEBM-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355920;MM355920;CNC(=N)N(N)C=CCO;ZTKIEJBRZZPLAC-UHFFFAOYSA-N;144.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355921;MM355921;C=CCNC(=N)NCCN;GDFKMRGYRYKESR-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355922;MM355922;N=C(NN)N(N)C=CCO;DZUDHZTZGDIZEB-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355923;MM355923;C=CCNC(=N)NCCO;VQEGKZKJFXLBCJ-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355924;MM355924;N=C(NN)N(N)C=CCF;DXADJVHSYQOACA-UHFFFAOYSA-N;147.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355925;MM355925;N#CCNC(=N)NCCF;HCIRCARTLAVFKE-UHFFFAOYSA-N;144.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355926;MM355926;N=C(NO)N(N)C=CCO;GOYPMDKMCDPGHR-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355927;MM355927;CCCNC(=O)NCC=O;OTFUPKGNDOMUDT-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355928;MM355928;N=C(NO)N(N)C=CCF;FKPZCWSMVNSNSB-UHFFFAOYSA-N;148.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355929;MM355929;C=CCNC(=O)NCCO;VLBARESUDYGHNF-UHFFFAOYSA-N;144.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355930;MM355930;C=NNC(C#N)=C(C)C=O;DYQQMGHVCFDMOK-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355931;MM355931;O=CNNC(=O)NCCO;AFGPFYPIMXHUKE-UHFFFAOYSA-N;147.13;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355932;MM355932;NNc1nc(=O)onc1N;BXRJWIYVJHBGFA-UHFFFAOYSA-N;143.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355933;MM355933;N=C(NCCO)NOC=O;XMQFLBAZFWVXAZ-UHFFFAOYSA-N;147.13;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355934;MM355934;C=CC1(C=C)CN1CC=O;INAMKXAERJVHNI-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355935;MM355935;O=CONC(=O)NCCO;FCMRTPNHELTRMG-UHFFFAOYSA-N;148.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355936;MM355936;N#CC=C1NCC(C=O)O1;KJWNSIHPJILMIL-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355937;MM355937;CCNNC(=N)NCC#N;QERHGPMGWQRLHZ-UHFFFAOYSA-N;141.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355938;MM355938;NN(C=CCO)C(=O)NO;ODJMCFQDNXSPQM-UHFFFAOYSA-N;147.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355939;MM355939;C=CC(=C)C(O)C=C;MRKPMJITLYCLHK-UHFFFAOYSA-N;110.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355940;MM355940;NN(C=CCF)C(=O)NO;UAGAYBLBJFVZCP-UHFFFAOYSA-N;149.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355941;MM355941;CCONC(=O)NCC#N;QGBALQDOOYZMJW-UHFFFAOYSA-N;143.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355942;MM355942;CNC(=N)N(O)C=CCO;HAVFJAQHNHBKAI-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355943;MM355943;C=CCOC(=N)NCCC;CLZHBVLLPOUXID-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355944;MM355944;C=CCOC(=N)NCCN;GNFXMFLUEUAXHS-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355945;MM355945;N=C(NN)N(O)C=CCO;RZIPJVOZDDRBBH-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355946;MM355946;N#CCOC(=N)NCCO;MOINLOGZACVDRQ-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355947;MM355947;CNC(=O)N(O)C=CCO;JKEUDKJNLPZUFR-UHFFFAOYSA-N;146.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355948;MM355948;C=CCOC(=O)NCCC;VDTXNBXTAHRNDQ-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355949;MM355949;NNC(=O)N(O)C=CCO;XUVZRCYPYGBSKD-UHFFFAOYSA-N;147.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355950;MM355950;C=CCOC(=O)NCCO;GIYCJRYESIQCEW-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355951;MM355951;O=C(NO)N(O)C=CCO;RBXAFCDJIDZCPH-UHFFFAOYSA-N;148.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355952;MM355952;O=CCOC(=O)NCCO;FNNNXKVRQNHODB-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355953;MM355953;CNC(=N)N(C)C=COC;XFUSNNKQHWDLBQ-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355954;MM355954;O=CCOC(=O)NCCF;OQOVRWKCJNCCQN-UHFFFAOYSA-N;149.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355955;MM355955;N=CN=C1N=CC(=CF)N1;LWCFQRIGBANAES-UHFFFAOYSA-N;140.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355956;MM355956;N#CCOC(=O)NCCF;VMSTXFHDNDMHNE-UHFFFAOYSA-N;146.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355957;MM355957;COC=CN(C)C(=O)NO;YFQFAIIZULUQHI-UHFFFAOYSA-N;146.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355958;MM355958;N=CNOC(=N)NCCN;ZRZWKFNBDZLTJM-UHFFFAOYSA-N;145.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355959;MM355959;COC=CN(N)C(=N)NN;RRBBFCSOFFZDDS-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355960;MM355960;O=CNOC(=O)NCCO;QTNOBMYATPUHIL-UHFFFAOYSA-N;148.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355961;MM355961;N#CC1=NNC(=CC=O)N1;FRXALNVYJBKKIU-UHFFFAOYSA-N;136.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355962;MM355962;C=C(CCC=O)OCCC;HUIYNWSTJKYZMX-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355963;MM355963;C#CC12CC(CO)CC1C2;GAHXJWSAKFNLLP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355964;MM355964;C=CCCC(=C)OCCO;KGBRIMKGMJSBEQ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355965;MM355965;COC=CN(N)C(=O)NO;PUUGALILIHZQBH-UHFFFAOYSA-N;147.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355966;MM355966;C=C(CCC=O)OCCO;ATRGIJVLKKZGHT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355967;MM355967;COC=CN(O)C(=O)NN;UALZGUJTYQFZDI-UHFFFAOYSA-N;147.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355968;MM355968;C=C(CCC=O)OCCF;WRQMCRZIFCSHJA-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355969;MM355969;COC=CN(O)C(=O)NO;TVZRMMLGKGLRMU-UHFFFAOYSA-N;148.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355970;MM355970;CCCOC(=O)CCC#N;DWGBMAOOGCDWAW-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355971;MM355971;COC(=O)N(C)C=CCO;IJZMBTXSWKOHDK-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355972;MM355972;N#CCCC(=O)OCCO;XYXHALHWNYOKPE-UHFFFAOYSA-N;143.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355973;MM355973;CC1C(CO)CC1CC=O;DGOIZJYAYBLBQP-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355974;MM355974;Cc1c(F)c[nH]c1N;POTXVHAQXLAQPB-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355975;MM355975;COC(=N)N(O)C=CCN;CRYRZKZZKZOZPB-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355976;MM355976;COCOC(=O)CN=CN;DYLRVRPKPFXDLI-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355977;MM355977;CC1C(CO)CC1CC#N;MEHSYJVQJJPYEQ-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355978;MM355978;COCOC(=O)CNC=O;JEOXZTFTSXIWFJ-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355979;MM355979;C=C(CO)N(C)C=NCC;PAVZMAJNUORIQO-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355980;MM355980;C=NNCC(=C)OCOC;MYNKNGVHLYEQHN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355981;MM355981;C=C(CF)N(C)C=NCC;MGTKLAFHHGQCIR-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355982;MM355982;C=C(COC=O)OCCO;YQSPFWAAAKOSLQ-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355983;MM355983;CCN=CN(C)C(=N)CO;IYJRKIHUSIDPNZ-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355984;MM355984;C=COCC(=O)OCCC;FPVKDRSAAVFHTM-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355985;MM355985;CC#CC1=C(C)C(O)CC1;DSGAGCPJGAPULO-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355986;MM355986;O=COCC(=O)OCCO;YHVWZWXNLHRIAV-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355987;MM355987;C=CC(C=O)C1CN1CC;KANKMOXYJHUXDS-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355988;MM355988;C=C(C#CC)C(C)(C)O;DACUEDZOYBHYIP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355989;MM355989;N#CC#CC1CN1CC=O;GIMINIZPLBJSSL-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355990;MM355990;C=CC(O)CC=C(C)C;WIPYDSGDCNPJSW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355991;MM355991;CNN=CN(C)C(=O)CO;DUSLVODOPCVRAD-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355992;MM355992;C=COCC(=C)OCOC;YVQJFJLJOWLHAK-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355993;MM355993;CCC(=N)N(N)C=NNC;JLDDEXVJAYYQTF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355994;MM355994;C=NOCC(=C)OCOC;KCFBJZJAURRDOQ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355995;MM355995;CCC#CCC1C(C)C1O;ZJTYZKHVRVQOIE-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355996;MM355996;C=CCNC(=N)OCCN;JMZYBYDNWVMRQT-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355997;MM355997;CC=NOCC#CCC=O;URNZHZVALJNKAP-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355998;MM355998;O=CCNC(=O)OCCO;GWXKTDGBVDEGAS-UHFFFAOYSA-N;147.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM355999;MM355999;CN1C(C#CC=O)C1C=O;JKHBPZRNJFFFCG-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356000;MM356000;N#CCNC(=O)OCCO;YHAKIKHKSZZPBZ-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356001;MM356001;CON=CN(C)C(=O)CO;AYSOVUDHGYBEGG-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356002;MM356002;O=CCNC(=O)OCCF;BTEIYXMBWRBLJS-UHFFFAOYSA-N;149.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356003;MM356003;CON=CN(C)C(=O)CF;MKPPCDWWEOGQBJ-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356004;MM356004;N=C(NNC=O)OCCN;UTNIIVPQFDGYAA-UHFFFAOYSA-N;146.15;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356005;MM356005;C=C(CC)N(N)C=NOC;KTVUFHKLZGZVMM-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356006;MM356006;N=CNNC(=N)OCCO;ZTSZSXFFHMLKPV-UHFFFAOYSA-N;146.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356007;MM356007;CCC(=O)N(N)C=NOC;LHGCVBXFYYHWNK-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356008;MM356008;COCOC(=N)NNC=N;DFDFPMAZCNIRBJ-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356009;MM356009;Nc1c2ccnc-2[nH]n1N;XMSNOCJIGOXDAP-UHFFFAOYSA-N;137.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356010;MM356010;COCOC(=O)NNC=O;QVZSVALQBALXCC-UHFFFAOYSA-N;148.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356011;MM356011;C#CC(=C)C(C)(C)O;YWAQJWAQWZASKI-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356012;MM356012;CCCOC(=N)NOC=O;GMRHOYBMHOPWFI-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356013;MM356013;CCN=CN(C)C(=N)NO;SYMMPOBAUPEBNU-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356014;MM356014;CNN=CC(F)C(F)F;FSYLQLNXVGRFAG-UHFFFAOYSA-N;140.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356015;MM356015;CCCOC(=O)NOC=O;MLAJDZNOAAKVND-UHFFFAOYSA-N;147.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356016;MM356016;CCN=CN(C)C(=O)NO;AACVVFXJEPAXSV-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356017;MM356017;O=CONC(=O)OCCO;VFJQENLDVONMBT-UHFFFAOYSA-N;149.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356018;MM356018;CCN=CN(N)C(=N)NN;WDBSGRCEDAXLSO-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356019;MM356019;CCC=NNC(C)C=O;HDBADPLKHAJFBZ-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356020;MM356020;CCN=CN(N)C(=N)NO;SEUOABHDVSJRAC-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356021;MM356021;C=CCOC(=O)OCCC;QWNFSVYIPSLJNZ-UHFFFAOYSA-N;144.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356022;MM356022;CC#CC(C)C(C)O;FOXDGHMVTCFRAN-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356023;MM356023;CCCOC(=O)OCC#N;QLJLMTMUBYJYKV-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356024;MM356024;CCN=CN(O)C(=N)NC;GADLHMWOKGOCRU-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356025;MM356025;C=CCOC(=O)OCCN;RVFRJRAUWVLIFB-UHFFFAOYSA-N;145.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356026;MM356026;CCN=CN(O)C(=N)NN;DBMMRDCPRAZRDJ-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356027;MM356027;N#CCOC(=O)OCCO;PIESOPDYAGGIEE-UHFFFAOYSA-N;145.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356028;MM356028;CCN=CN(O)C(=O)NC;CADCIRZIRBZNQA-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356029;MM356029;COCOC(=O)ONC=O;QWYCARLPOSAKNM-UHFFFAOYSA-N;149.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356030;MM356030;CNN=CN(C)C(=N)NC;IDSGLWPCFWAPER-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356031;MM356031;C#CCCC(=O)CCCO;NKEQTCUPNQQLSW-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356032;MM356032;CNC(=N)N(C)C=NOC;RKGBEFDIYLUPTE-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356033;MM356033;C#CCCC(=C)CCNC;QOUDGZHBCISXTA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356034;MM356034;CON=CN(C)C(=N)OC;GCYCDJDXUUWSLN-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356035;MM356035;C#CCCC(=O)CCOC;CDHKTCBRJCLELR-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356036;MM356036;CON=CN(C)C(=O)OC;UNSBBVIWEIYPOF-UHFFFAOYSA-N;146.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356037;MM356037;C#CCCC(=O)CNCC;JHTILDJEWDNRJC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356038;MM356038;CON=CN(N)C(=N)OC;ZTWSQTGGUWKABX-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356039;MM356039;C#CCCC(=O)COCC;NAECSVJABMMURT-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356040;MM356040;CON=CN(N)C(=O)OC;AUWHKWRSPPGLRE-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356041;MM356041;C#CCNC(=N)CCCC;SPJIPXMJEILRDK-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356042;MM356042;O=CCN1CC(=O)C1;ISJVDWNNSJPWTC-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356043;MM356043;C#CCNC(=O)CCNC;GDUQZZFNVXDTHC-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356044;MM356044;CC=CCC(C)CO;YQFHGAAWKWUCGM-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356045;MM356045;C#CCNC(=O)CCOC;STVIRIBGMLVEIK-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356046;MM356046;CC(CO)CC=CF;ZXXDZNKYGGGTNH-UHFFFAOYSA-N;118.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356047;MM356047;C#CCOC(=O)CCCO;VPWPSTCVDHDMBP-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356048;MM356048;CCC(=O)N(C)N=CCN;MYVPRAOLARQILN-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356049;MM356049;C#CCCC(=N)NCCC;WGWXFFNRNVKKPP-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356050;MM356050;Nc1coc(C=O)n1;WZOGEOREWUHVDR-UHFFFAOYSA-N;112.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356051;MM356051;C#CCCC(=N)NCCF;KYNYIXBZCCNQIT-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356052;MM356052;CN(N=CCN)C(=O)CN;LSEYHEBPWWNUII-UHFFFAOYSA-N;144.18;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356053;MM356053;C#CCCC(=N)NOCC;BFAPASCCECZDEL-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356054;MM356054;CN(N=CCO)C(=O)CO;VEWVVJDCNRPIRG-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356055;MM356055;C#CCNC(=N)NCCC;LWNDFJHHNKEUQY-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356056;MM356056;COC=NN(C)C(=N)CF;WKCDIMSTCLWTQE-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356057;MM356057;C#CCNC(=N)NCCF;NMOUVQNMRJBPLH-UHFFFAOYSA-N;143.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356058;MM356058;COC=NN(C)C(=O)CO;BENHCKZLAQIJPM-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356059;MM356059;C#CCNC(=N)NNCC;SOMJJKOUGQIBPJ-UHFFFAOYSA-N;140.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356060;MM356060;CC1C(C=O)N1C=O;RRUXQPYZKQNDQM-UHFFFAOYSA-N;113.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356061;MM356061;C=NNC1CC1CC=O;DFCVIXVCWJZEQS-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356062;MM356062;CNC(=N)N(C)N=CCN;UQYIRIRQKDVZST-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356063;MM356063;C#CCNC(=O)NOCC;XYHQLLOLJURJNA-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356064;MM356064;CNC(=N)N(C)N=CCO;CCBHSIWCLWULSH-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356065;MM356065;C#CCOC(=N)NCCC;IMWBWRLHCBCCPD-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356066;MM356066;CN(N=CCO)C(=N)NN;UONVKZJSVDQSSB-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356067;MM356067;C#CCOC(=O)NCCC;PCDOUQXLPMASEG-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356068;MM356068;OCC1CC2CC2C1;UPIIUAPEQOCMGL-UHFFFAOYSA-N;112.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356069;MM356069;C#CCOC(=O)NCCF;FHIVLVYBOBDZLE-UHFFFAOYSA-N;145.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356070;MM356070;CNC(=O)N(C)N=CCN;LTPXRHNXDGGQHI-UHFFFAOYSA-N;144.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356071;MM356071;C#CCCC(=O)OCCN;RBUVCBYDAYGOMU-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356072;MM356072;CC(C)=CCC(C)CO;SDINZYGQOJFYLE-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356073;MM356073;C#CCCC(=O)OCCF;GHEXXDHIPRKDHM-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356074;MM356074;C=C(C)C1(C)CC1CO;YHBBVOJONUAVTO-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356075;MM356075;C#CCNC(=O)OCCN;ATOHLOIKTJKZJQ-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356076;MM356076;CN(N=CCO)C(=O)NN;BKNCRTCGCSYOKA-UHFFFAOYSA-N;146.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356077;MM356077;CN(N=CCF)C(=O)NN;MPJYMQQJFJDKCL-UHFFFAOYSA-N;148.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356078;MM356078;C#CCNC(=O)OCCO;GDEGUPRUDVIVDM-UHFFFAOYSA-N;143.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356079;MM356079;CN(N=CCO)C(=O)NO;LQFSLWUITPUEFN-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356080;MM356080;C#CCOC(=O)OCCC;LIONVJNHPDUBMD-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356081;MM356081;CN(N=CCF)C(=O)NO;XNTAODPDICQNJS-UHFFFAOYSA-N;149.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356082;MM356082;C#CCOC(=O)OCCN;DZKHMJVPDMSYRV-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356083;MM356083;CNC(=N)N(C)N=COC;VBWKIOIFPZVJEY-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356084;MM356084;C#CCOC(=O)OCCF;XDBIDOWMVRTEIT-UHFFFAOYSA-N;146.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356085;MM356085;CCC=CCC(C)CO;FFPSCBKDTYTGLQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356086;MM356086;C#CCOC(=O)OCOC;YGOBFBMFCLRGCY-UHFFFAOYSA-N;144.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356087;MM356087;CCC=NN(C)C(=O)OC;OVFHCQDOIZIJJP-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356088;MM356088;C=CCCC(=C)CCC=O;SHVLTVBJBPIPPQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356089;MM356089;COC(=O)N(C)N=CCN;VOKYPBKAOSGTGK-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356090;MM356090;C=C(CCC=O)CCC=O;HHJOSWXBSJZDLF-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356091;MM356091;CC(CO)CC=CCF;CLYMLMAILOIUCS-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356092;MM356092;N#CCCC(=O)CCC=O;MSDYDPJPNNXELF-UHFFFAOYSA-N;139.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356093;MM356093;COC=NN(C)C(=N)OC;QJNJDGNNYIHCJA-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356094;MM356094;C=CCCC(=C)CNC=N;HNOKXNSXLKLYOX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356095;MM356095;COC=NN(C)C(=O)OC;OMRCCFWLYBUENA-UHFFFAOYSA-N;146.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356096;MM356096;O=CC1CN(C=O)C=N1;FXTQGIJFRRGIRV-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356097;MM356097;C=C(CC)C(C)C=CC=O;NPOSXIZJDLRJSW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356098;MM356098;N#CCCC(=O)CNC=O;ZNTZBGFVDXXBCL-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356099;MM356099;C=CCCC(=C)CNN=C;XNAOOIUXWFHZOI-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356100;MM356100;C=C(CC)C(C)C=CC#N;JXZKCDOXYBBKRY-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356101;MM356101;N#CC1CC(C=O)=NN1;BCAMGKSAUAAMOB-UHFFFAOYSA-N;123.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356102;MM356102;COC=CCC(C)CO;NBFFQXSZCQBDLW-UHFFFAOYSA-N;130.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356103;MM356103;C=CCCC(=O)COC=C;VRAPDFZPVVYPAR-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356104;MM356104;C=C(CF)C(C)C=CC#N;PVJXZYLXLFXKNF-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356105;MM356105;N=CNN=c1onno1;RTIXQDFHDQFOKJ-UHFFFAOYSA-N;129.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356106;MM356106;C=CC=CC(N)C(=C)CN;LEYQJDDLQHTXDO-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356107;MM356107;C#CC1C(CC)C1CO;BKSQPTPAWZVZQK-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356108;MM356108;C=C(CC)C(O)C=CC=O;IMDHEPWKRYCHGC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356109;MM356109;O=CNCC(=O)CNC=O;QKHATXMKRDHJRL-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356110;MM356110;C=C(CO)C(O)C=CC=O;MXNJZKDTCBLTAN-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356111;MM356111;C=COCC(=C)CNC=N;CKKSFOASNNFNFJ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356112;MM356112;CCC(=O)C(O)C=CC#N;HLQRPIHUUXKMCC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356113;MM356113;C=C(CNC=N)COC=O;RWTZCXMEWOFUOY-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356114;MM356114;C=CC=CC(O)C(=O)CO;LXAQONHVDIFMEC-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356115;MM356115;C=NN(C)C(C)(C)CC=O;LBYDSQYANWCVTC-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356116;MM356116;CN=C(N)C(C)C=CC=O;OUQOYBYXXOABFB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356117;MM356117;C=C(CNC=O)COC=O;CSNODLONLVOURV-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356118;MM356118;CNC(=O)C(C)C=CC=O;GTDSBYBTCXVJCU-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356119;MM356119;N#CCCC(=N)NCC=O;XFUPDDSDUYDFSZ-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356120;MM356120;CNC(=N)C(O)C=CC#N;NVQRGRZHBUCRLN-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356121;MM356121;N#CCNC(=N)CCC=O;HGAAFKXQGLCDOG-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356122;MM356122;CNC(=O)C(O)C=CC=O;FDCDNXXUHQCHFO-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356123;MM356123;C=CCCC(=O)NCC=O;QBQDDHLGPSNTJT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356124;MM356124;CNC(=O)C(O)C=CC#N;DDBZOIUNSOJZMH-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356125;MM356125;C=CCNC(=O)CCC#N;MTELBAPMKYUWCE-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356126;MM356126;O=CC=CC(O)C(=O)NO;GZOCMMKHPBPWFP-UHFFFAOYSA-N;145.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356127;MM356127;O=CCCC(=O)NCC=O;GZVFPGVIQBINMS-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356128;MM356128;N#CC=CC(O)C(=O)NO;GIPSOHGTNVHLMX-UHFFFAOYSA-N;142.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356129;MM356129;N#CCCC(=O)NCC#N;UYFSEWMUFAUNPE-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356130;MM356130;C=CC=CCC(C)CO;BSESGCXJQLOISS-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356131;MM356131;N#CCCC(=N)NNC=N;WPMBPUYSGPCLJZ-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356132;MM356132;C=C(OC)C(C)C=CC=O;ABQSQZFWUVEYNW-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356133;MM356133;N=C(CCC=O)NNC=O;VBQFGDKHWJGTBO-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356134;MM356134;C=C(OC)C(C)C=CC#N;ZJRILHMOHVLNNR-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356135;MM356135;C=NNCC(=N)NCC#N;SDBFZKMPBSTAAA-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356136;MM356136;COC(=O)C(C)C=CC=O;QLHBBMHCJPTXCL-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356137;MM356137;CC#CC1(C)C=CC(O)C1;MRVIFFSJJBXJEH-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356138;MM356138;C=CC=CC(O)C(=C)OC;GNIBQEDGETYLMA-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356139;MM356139;N=CNCC(=O)NNC=N;ASMUEVQWPQWYKV-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356140;MM356140;COC(=O)C(O)C=CC=O;KNKPKLULEWLJAL-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356141;MM356141;C=COCC(=N)NCC=O;BWJKEDDABYGEDC-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356142;MM356142;C=NN=CC(C)C(=C)CN;FIQWIPMTABDPHK-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356143;MM356143;C=COCC(=N)NCC#N;AWVWSTCUFAKSMD-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356144;MM356144;C=NN=CC(C)C(=C)CO;FPEAUSYUVNAZHO-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356145;MM356145;C=COCC(=O)NCC=O;SDYDWGAYDDCHQB-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356146;MM356146;C=NN=CC(C)C(=C)CF;KEBJDXUODOXYSB-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356147;MM356147;C=COCC(=O)NCC#N;NOTDSZSALDDFIR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356148;MM356148;C=NN=CC(C)C(=O)CO;ROIRANOOSFTBNW-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356149;MM356149;N#CCNC(=O)COC=O;WHVCQLGFRYXUNF-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356150;MM356150;C=NN=CC(O)C(=O)CC;ZQXNPBJMDPGIFX-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356151;MM356151;C=NN=CC(O)C(=O)CO;RWYDZOWXIIZJKB-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356152;MM356152;C=C(C#CC)C(O)CCC;RMRFFNBOOYBFIE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356153;MM356153;C=NN=CC(F)C(=C)CO;PEOZIPYVZNHPMN-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356154;MM356154;C=CCOC(=C)CCC=O;IMGDKSZFABNXAM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356155;MM356155;C=NN=CC(N)C(=N)NC;APKNVIZSLNKXDI-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356156;MM356156;O=CCCC(=O)ONC=O;AREYDVRVJDSFTJ-UHFFFAOYSA-N;145.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356157;MM356157;CC(CO)CC=CC=O;DVNLAYOAYXEMBH-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356158;MM356158;C=CCOC(=O)CNC=N;FCDIOELBKGVUAP-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356159;MM356159;C=NN=CC(N)C(=O)NO;BNJLPTCCFBNCDI-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356160;MM356160;N=CNCC(=O)ONC=N;PRQQKZCWIFBWKJ-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356161;MM356161;C=NN=CC(O)C(=N)NN;BPQPOJJUSUDMPN-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356162;MM356162;O=CNCC(=O)ONC=O;AZNNUURCYIOLCN-UHFFFAOYSA-N;146.1;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356163;MM356163;C=NN=CC(O)C(=O)NC;ONAPBNXNYRQLFT-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356164;MM356164;C=CC(O)CC=C(C)CC;VIYVCEDRCDOJJZ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356165;MM356165;C=NN=CC(O)C(=O)NN;LARLZBRHMRBWOY-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356166;MM356166;C=COCC(=C)OCC#N;ZVOUQGVZOMYMGI-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356167;MM356167;C=NN=CC(O)C(=O)NO;NRMUSTBZNDGDDF-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356168;MM356168;C=CCOC(=O)CON=C;VNWFKEWXPYNIIS-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356169;MM356169;C=NN=CC(F)C(=O)NO;BBWFTUYYSSQQMB-UHFFFAOYSA-N;147.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356170;MM356170;C=COCC(=O)ONC=O;PVMVNVWJZIAONK-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356171;MM356171;C=NN=CC(O)C(=C)OC;IRQFORFCJFAXEM-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356172;MM356172;O=CNOC(=O)COC=O;ZEARVWLKLPJVBJ-UHFFFAOYSA-N;147.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356173;MM356173;CCC(=N)N(C)C=CC=O;UHWRLSJFQTYYQF-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356174;MM356174;C=NOCC(=O)ONC=O;JXBROWJTZFHJSK-UHFFFAOYSA-N;146.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356175;MM356175;CN(C=CC#N)C(=O)CO;VAIHEGJBAWLQOB-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356176;MM356176;N#CCNC(=O)NCC=O;JKXJVGSDHSRBSD-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356177;MM356177;C=CC=CN(N)C(=O)CC;PECYGHLGJXEVRZ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356178;MM356178;N#CCNC(=N)NNC=N;RCJODDTVBWXUJI-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356179;MM356179;C=CC=CN(O)C(=O)CC;KZKPFALXPKZNRS-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356180;MM356180;N#CCNC(=O)NNC=N;QKHXCQHJKHSLSK-UHFFFAOYSA-N;141.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356181;MM356181;C=CC=CN(C)C(=N)NN;OCGYZGVXWLLHCW-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356182;MM356182;O=CCNC(=O)NNC=O;ZJVJIWZTTKPOGH-UHFFFAOYSA-N;145.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356183;MM356183;C=CC=CN(C)C(=N)NO;QQDUUIHJMYJUHD-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356184;MM356184;N#CCNC(=O)NNC=O;YNHCPLLUARJGDU-UHFFFAOYSA-N;142.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356185;MM356185;C=CC=CN(C)C(=O)NC;MLYMEBGOFBRUQF-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356186;MM356186;N=CNNC(=N)NNC=N;XYTMEEAJBXTRBD-UHFFFAOYSA-N;143.15;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356187;MM356187;CNC(=O)N(C)C=CC=O;RZTVVWYRCFFMFW-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356188;MM356188;N=C(NNC=O)NNC=O;MQEJPIJTLVLVCI-UHFFFAOYSA-N;145.12;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356189;MM356189;CN(C=CC=O)C(=O)NO;WRRDLJROWCACDF-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356190;MM356190;N=CNNC(=O)NNC=O;HOCUCDIAFULSBC-UHFFFAOYSA-N;145.12;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356191;MM356191;C=CC=CN(O)C(=O)NC;HJMJUSHRPFROGF-UHFFFAOYSA-N;142.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356192;MM356192;O=CNNC(=O)NNC=O;UNCCMHMFSKNOCY-UHFFFAOYSA-N;146.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356193;MM356193;CNC(=O)N(O)C=CC=O;JKGIKRJJGFXGNO-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356194;MM356194;N=CNNC(=N)NOC=O;CVFQFYARXJBMPU-UHFFFAOYSA-N;145.12;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356195;MM356195;O=CC=CN(O)C(=O)NO;ZBJUFDZTTCZAJE-UHFFFAOYSA-N;146.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356196;MM356196;O=CNNC(=O)NOC=O;VPHFEBZHOHIUEG-UHFFFAOYSA-N;147.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356197;MM356197;N#CC=CN(O)C(=O)NO;ARCOJIZZQLOISG-UHFFFAOYSA-N;143.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356198;MM356198;C=CCNC(=N)OCC=O;MAILOKPDGYLYLS-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356199;MM356199;COC(=O)N(C)C=CC=O;CCLAEDXCHYADQZ-UHFFFAOYSA-N;143.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356200;MM356200;C=CCOC(=O)NCC#N;RBJXEUBACPVYLJ-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356201;MM356201;COC(=O)N(C)C=CC#N;QSYIYVGQTJLRCW-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356202;MM356202;N#CCNC(=O)OCC=O;MXGLNGNTGWBXSI-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356203;MM356203;CC(CO)CC=CC#N;KDKPRIWOOQSXLE-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356204;MM356204;N#CCNC(=O)OCC#N;AMKBYVOWLMTULN-UHFFFAOYSA-N;139.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356205;MM356205;CN(C=NC=N)C(=N)CF;BUPKTMQMQLNYOV-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356206;MM356206;N#CCNC(=N)ONC=O;WFNCXEGDJQUJJI-UHFFFAOYSA-N;142.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356207;MM356207;CN(C=NC=O)C(=N)CF;CZBJFQMDZXTHAG-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356208;MM356208;O=CCNC(=O)ONC=O;KTZJSPVBPQZLNS-UHFFFAOYSA-N;146.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356209;MM356209;CCC(=O)N(C)C=NC=O;WDYBFBABUBAAOQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356210;MM356210;N=CNNC(=N)OCC=O;YIGOTNAQWXWALO-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356211;MM356211;C#CC=CCC(C)CO;PORPTDLMONZKJZ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356212;MM356212;C=CCOC(=O)NNC=N;YGAXVHYSVBPNMU-UHFFFAOYSA-N;143.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356213;MM356213;CCC#CCC(O)CC;GGXQZVKQXYOPTF-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356214;MM356214;C=C(CC)N(N)C=NC=O;ZMAVWSBCGVYDCX-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356215;MM356215;N#CCOC(=O)NNC=N;KMVOJBGVENIENB-UHFFFAOYSA-N;142.12;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356216;MM356216;CC1(C=O)CN1CC=O;BKWHQCBNJWYLKV-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356217;MM356217;N=CNNC(=N)ONC=N;VKRDLASFQYHANP-UHFFFAOYSA-N;144.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356218;MM356218;Cc1c(N)[nH]c(F)c1N;REQPVISTJANQNZ-UHFFFAOYSA-N;129.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356219;MM356219;C=CCOC(=O)NOC=O;VDDMDSSTCBJRAV-UHFFFAOYSA-N;145.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356220;MM356220;Cc1[nH]c(F)c(C)c1N;NYVPMSBOJICIEM-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356221;MM356221;N#CCOC(=O)NOC=O;QJUHBUVCEAIGNA-UHFFFAOYSA-N;144.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356222;MM356222;N=CN=C1N=CC(=N)N1;CYLOGGLFORTBOQ-UHFFFAOYSA-N;123.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356223;MM356223;N#CCOC(=O)OCC=O;CYLAKDQYWJUCJV-UHFFFAOYSA-N;143.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356224;MM356224;C=C(CO)N(O)C=NC=O;QDMSJGDQQLUJRX-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356225;MM356225;C#CCCC(=C)CCC=O;KLJFUKPYBGHXLR-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356226;MM356226;C=CC1=CC(O)CC1=C;DEUXUACSDQIYRT-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356227;MM356227;C#CCCC(=O)CCC#N;KOBKGMAXFAQDKS-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356228;MM356228;C#CC1=CCC(C)C1O;LCJADTOJSQSRRG-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356229;MM356229;C#CCCC(=C)CNC=N;WJSWNOHFZURVRA-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356230;MM356230;C=NN=CN(C)C(=N)CC;OQKVECGJEXRHTJ-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356231;MM356231;C#CCCC(=O)COC=C;IDMVVMBGLIOJSG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356232;MM356232;C=NN=CN(C)C(=N)CF;OSVHBPXJYVMEGH-UHFFFAOYSA-N;144.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356233;MM356233;C#CCNC(=N)CCC=C;HNXHBRQJUDVGBN-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356234;MM356234;C=NN=CN(C)C(=O)CF;CNXXHPWCFDGHOA-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356235;MM356235;C#CCNC(=N)CCC#N;OUCYJCNELSLYDD-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356236;MM356236;C=NN=CN(N)C(=C)CF;YGMIHPYCLQAMDG-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356237;MM356237;C#CCNC(=O)CCC=O;CGWQAPBVJPFLML-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356238;MM356238;C=NN=CN(N)C(=N)CF;ZOGZADAPJRKZTN-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356239;MM356239;C=CC(O)CC=C(C)CF;CUWWATZQLBZSMT-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356240;MM356240;C=NN=CN(N)C(=O)CC;BMDUPDKKUFSYDJ-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356241;MM356241;C#CCNC(=O)COC=O;QKCZDVLSTQJUFT-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356242;MM356242;C#CC1=COC(=O)C1N;CFIHTTVLSTVMCF-UHFFFAOYSA-N;123.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356243;MM356243;C#CCOC(=O)CCC#N;LVFFKHNJEDUTDU-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356244;MM356244;CNC(=N)N(C)C=NC=O;OFYDFYYTKSUMII-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356245;MM356245;C#CCCC(=N)NCC=C;NTOOFXVLHJKOCO-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356246;MM356246;C=C(C)C1C(C)C1CO;MCVCGCXONOFFIM-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356247;MM356247;C#CCCC(=N)NCC#N;DRHYHKUZJKFYBG-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356248;MM356248;CC#CCC1C(C)C1O;FLLDWMAVPHTARL-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356249;MM356249;C#CCCC(=O)NCC=C;GQUMLFGDAUMKTH-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356250;MM356250;NNC(=O)N(N)C=NC=O;PPCTXKKPDRIBFS-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356251;MM356251;C#CCCC(=O)NCC=O;WEMNOUZFMRIBSN-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356252;MM356252;N=CN=CN(N)C(=O)NO;JGGFXQJVVYKNEH-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356253;MM356253;C#CCCC(=N)NNC=O;VKOGAZATSRLUCY-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356254;MM356254;CNC(=N)N(O)C=NC=N;PNMQWCXSKUANDN-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356255;MM356255;C#CCNC(=N)NCC=C;JCQSRVWVCCDQIN-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356256;MM356256;CNC(=N)N(O)C=NC=O;PHEZRTWPLGMUGE-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356257;MM356257;C#CCNC(=N)NCC#N;APSIHNDYHNSCOU-UHFFFAOYSA-N;136.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356258;MM356258;C=NN=CN(C)C(=N)NC;FZBDMTBCJSTAKW-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356259;MM356259;C#CCNC(=O)NCC#N;FJBACFCAXDOBAG-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356260;MM356260;C=NN=CN(N)C(=N)NN;HMCITKWLTISRTA-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356261;MM356261;C#CCNC(=N)NNC=N;QRTNWXSBSBLUDE-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356262;MM356262;C=NN=CN(N)C(=O)NN;HGFMHSPLOBRZIJ-UHFFFAOYSA-N;144.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356263;MM356263;C#CCNC(=O)NNC=O;XJCOJVFWJCVSQB-UHFFFAOYSA-N;141.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356264;MM356264;C#CCNC(=N)NOC=O;PSUKFTWYWBHCHK-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356265;MM356265;C=NN=CN(N)C(=O)NO;HIKLAMKFSGRXKY-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356266;MM356266;C#CCNC(=O)NOC=O;PEGQSGOKLCDFTR-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356267;MM356267;COC(=O)N(C)C=NC=N;GDRAQBCAVNYJOS-UHFFFAOYSA-N;143.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356268;MM356268;C#CCOC(=N)NCC=C;UGIAHBJCDNACOQ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356269;MM356269;COC(=O)N(C)C=NC=O;WUGQIHFFDSYHOL-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356270;MM356270;C#CCOC(=N)NNC=N;SLCXUNJANZEKQB-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356271;MM356271;COC(=N)N(N)C=NC=O;KHFPRCPPTRMVCW-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356272;MM356272;C#CCCC(=O)OCC=C;IFBHOWRZOCQUDP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356273;MM356273;COC(=O)N(N)C=NC=N;BWBNGRSMROELLE-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356274;MM356274;C#CCCC(=O)OCC#N;FJSSFLVRVGLSNL-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356275;MM356275;COC(=O)N(N)C=NC=O;ZBJSPGLGTJYSGK-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356276;MM356276;C=CC(CO)CC(=C)C#N;NEAQGHNPFJCGEM-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356277;MM356277;C=CCC1C(C)C1CO;RAFCKLHUKNTPHA-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356278;MM356278;C#CCOC(=O)OCC=C;HVCSPFSLGIWEFI-UHFFFAOYSA-N;140.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356279;MM356279;C=NN=CN(C)C(=C)OC;ZIVXCXZWCSIPES-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356280;MM356280;C#CCOC(=O)OCC#C;YRIJPMBUGWOQCC-UHFFFAOYSA-N;138.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356281;MM356281;C=NN=CN(C)C(=N)OC;AINSGJUYHSUKJX-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356282;MM356282;NCCCC(N)CC=CF;GHEYQWTZVAMQKR-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356283;MM356283;CC1C(CO)C1CC=O;UYIWDLDIUNGEGZ-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356284;MM356284;CC=CCC(N)CCCF;VYNUFKPBYQQWOQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356285;MM356285;CN(N=CC=O)C(=O)CO;KPDRNOGEPOKVPM-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356286;MM356286;NC(CC=CF)CCCF;BYWCQGVFNMWEFN-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356287;MM356287;CN(N=CC#N)C(=O)CO;OFELIYGIJIWILS-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356288;MM356288;CC=CCC(F)CCCN;RSHFTMCMXKOGPF-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356289;MM356289;CN(N=CC=O)C(=O)CF;TYFFGRYYNXYPCI-UHFFFAOYSA-N;146.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356290;MM356290;NCCCC(F)CC=CF;MZNVOLYIOWYSDT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356291;MM356291;C=CC=NN(C)C(=N)NC;XSEZOHPBSWVWEQ-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356292;MM356292;FC=CCC(F)CCCF;DHUBZXWSENBXIG-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356293;MM356293;CNC(=N)N(C)N=CC=O;XCVXEIOSPPPORO-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356294;MM356294;ON=CCC(O)CCCF;ZUKXEVLLQMHQSO-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356295;MM356295;CNC(=O)N(C)N=CC=O;MPYAHBLMEXZTFG-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356296;MM356296;NCCCC(F)CC=NO;RIFBYMGBOBXTDK-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356297;MM356297;CC1C2CC(CO)CC12;ZPDJHGPLXAYANS-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356298;MM356298;ON=CCC(F)CCCF;GGPCKISZHRAMNP-UHFFFAOYSA-N;151.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356299;MM356299;C=CC=NN(C)C(=O)NO;JGUNEBFRYQMFRJ-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356300;MM356300;CNCCC(F)CC=CF;IWGHUJRELVWEOU-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356301;MM356301;CN(N=CC=O)C(=O)NO;YDXQJIWJPJRJKC-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356302;MM356302;CNCCC(F)CC=NO;UVMUKWIQQQDZEI-UHFFFAOYSA-N;148.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356303;MM356303;COC(=N)N(C)N=CC=O;ZFZAFRGNCHXACF-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356304;MM356304;COCCC(N)CC=NO;CSKJQQWOCYPNNX-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356305;MM356305;C=CC=NN(C)C(=O)OC;KGHCPCDLEQXFMY-UHFFFAOYSA-N;142.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356306;MM356306;CCNCC(N)CC=CF;IOTCDIVOJJKIMJ-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356307;MM356307;COC(=O)N(C)N=CC=O;JUDPXJWYFGCGHN-UHFFFAOYSA-N;144.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356308;MM356308;CCNCC(F)CC=CF;SDTHLSXFSDNTFB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356309;MM356309;C#CC=CC(O)C(=C)CO;XAHRUYPJQDIEII-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356310;MM356310;CCNCC(F)CC=NN;UEFLVQTVEPAJMS-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356311;MM356311;C#CC=CC(O)C(=O)CC;XXIAEIMEHQEMNL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356312;MM356312;CCOCC(N)CC=NO;YZWBYGOPMNQPIP-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356313;MM356313;C#CC=CC(F)C(=O)CF;UAAISATWAQZXJX-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356314;MM356314;CCOCC(O)CC=NO;VRPAGNSFNCACFC-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356315;MM356315;C#CC=CC(C)C(=O)NO;LTLQYVKXRDTSOO-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356316;MM356316;CC(CCCN)N=CNO;WEFLJNNGZCMIGB-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356317;MM356317;CC(C)C=CCC(C)CO;ZREMVHQVHQXXPF-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356318;MM356318;C#CC=CC(O)C(=O)NO;ZNUFXEWRWIGFGB-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356319;MM356319;CN=CNC(C)CCCO;OQFCWWOCWKEMLK-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356320;MM356320;C#CC=CC(F)C(=O)NN;APJXZONSOSYMHX-UHFFFAOYSA-N;142.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356321;MM356321;CC(CCCO)N=CNN;UORFSLVTPGOVNT-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356322;MM356322;C#CC=CC(O)C(=C)OC;LMRQVIKEIHTIDE-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356323;MM356323;CN=CNC(C)CCCF;DCVVYTBNTJVPTE-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356324;MM356324;C#CC=CN(C)C(=N)CC;QWMJZOXBECKKQK-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356325;MM356325;CNCCC(C)N=CNN;YWNJWNOPVBPTEH-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356326;MM356326;C#CC=CN(C)C(=N)CN;XJZJECFFTDQFFV-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356327;MM356327;CNCCC(C)N=CNO;LXDTZWRPAWOIER-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356328;MM356328;C#CC=CN(C)C(=O)CC;OREXGIMXDJEIMX-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356329;MM356329;CNC=NC(C)CCOC;LLAMBWSNRJOPPU-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356330;MM356330;CC(F)C=CCC(C)CO;YYXSPWLXNDFKET-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356331;MM356331;CC=NNC(C)CCCC;YSEMRVGWCXWEPE-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356332;MM356332;CC(=O)C=CCC(C)CO;KTIFLKXIXIXLSA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356333;MM356333;CC=NNC(C)CCCN;ZGDIZTRSXPWDIC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356334;MM356334;C=C(F)C=CCC(C)CO;OPYXRFXBZXDCHV-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356335;MM356335;CC=NN=C(N)CCC=O;DGKDEYQZANGSNM-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356336;MM356336;C#CC=CN(N)C(=O)NO;GEYHUHMHEJYENL-UHFFFAOYSA-N;141.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356337;MM356337;CC=NNC(C)CCNC;QEBUAKOEAGRSKT-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356338;MM356338;C#CC=CN(O)C(=O)NN;PWEXRJWFUJYFQF-UHFFFAOYSA-N;141.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356339;MM356339;CC=NNC(C)CCOC;PHLDRAGQOPACCA-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356340;MM356340;C#CC=CN(O)C(=O)NO;PYDAJDUNFARENI-UHFFFAOYSA-N;142.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356341;MM356341;CCNCC(C)N=CNN;FIQATBRFBMTTGR-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356342;MM356342;C#CC=NN(C)C(=O)CC;XRZBEEYCZZAPTC-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356343;MM356343;CCNCC(C)N=CNO;HIJAJVZDPLRGTI-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356344;MM356344;C#CC=NN(C)C(=O)CO;VUXDMIRKEMUBRE-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356345;MM356345;CC=NNC(C)CNCC;WXGHKTYYCOPGBI-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356346;MM356346;CC(=O)CON=C(C)C#N;AOTYLWLWVSMDAW-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356347;MM356347;CC=NNC(C)COCC;JZUYSIHLBHBUNU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356348;MM356348;C#CC=NN(C)C(=O)NN;UOPVFOZDDAKVSP-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356349;MM356349;CNCCC(C)OC=CF;SCJRKYWKUYMHPM-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356350;MM356350;C#CC=NN(C)C(=O)NO;AATBNWFZLWOWJN-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356351;MM356351;CNCCC(C)OC=NN;MXEXHMABGSNYRH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356352;MM356352;C=CC(=C)C(C)C=CCC;QREHWBAOAIMAEI-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356353;MM356353;CCCC=NNC(C)C=O;ZEYXVGGWMQBWBO-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356354;MM356354;C=CC(=C)C(C)C=CCN;ZTTPNIMTFLLSDB-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356355;MM356355;COCCC(C)OC=NO;IJCSKUBVDXOTRD-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356356;MM356356;C=CC(=C)C(C)C=CCF;BUMVOIKMSRXGFM-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356357;MM356357;CCOC=NNC(=N)OC;LLNFDAPXSHFMDF-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356358;MM356358;C=C(C=O)C(C)C=CCC;GTGALLIMKIGWNM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356359;MM356359;C=CC(=O)C(C)C=CCC;VFOVRNAQAAMGBM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356360;MM356360;CCOCC(C)OC=NO;SQDUMSBVHQUWBO-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356361;MM356361;CCC=CC(C)C(=O)C=O;GDPVSZGWYZVYJM-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356362;MM356362;CCCNC(C)CC=CF;QWZDTDHPEAYRRT-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356363;MM356363;CCC=CC(C)C(=O)C#N;KPGNYUJAEOHAPI-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356364;MM356364;CC=CCC(C)NCCO;SWBSLWSFFPHJFO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356365;MM356365;CC(C=CCF)C(=O)C=O;YCBOUZSLMUHDCC-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356366;MM356366;CC(CC=CF)NCCF;OKZZAPVLXITETC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356367;MM356367;CCC=CC(O)C(=O)C#N;BSVBUHIUSWGXFR-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356368;MM356368;CC=CCC(C)OCOC;FQSPCDAWQSVNTF-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356369;MM356369;N#CC(=O)C(O)C=CCO;HTXMXHXWZNLQBI-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356370;MM356370;CC=COC(C)OCCN;YXKQMPCEXFLZTE-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356371;MM356371;COC=CC(O)C(=O)C#N;WWMJVQABQYPNRQ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356372;MM356372;CC=COC(C)OCCO;UXINTENJGFARAL-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356373;MM356373;C=CC(=C)C(C)C=NNC;FNVGBQMLGTWEFR-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356374;MM356374;COC(=N)NN=CC=NN;GACJJXMEBDMWKM-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356375;MM356375;C=CC1(O)CC(CC#N)C1;JLQQYSQDNFEQFV-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356376;MM356376;CCCOC(C)OC=NO;OHOXKWKMBYWUOW-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356377;MM356377;C=C(C#N)C(C)C=NOC;SCJASTNCCHMTPC-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356378;MM356378;CC(OC=NO)OCCN;BYLUBBZYWZLCEC-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356379;MM356379;CON=CC(O)C(=O)C=O;CLNLEABCICUSRT-UHFFFAOYSA-N;145.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356380;MM356380;CC(OC=NO)OCCO;LKPVOWXAGWLTLM-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356381;MM356381;C=CC1(C(C)C)CC(O)C1;HTTQNZVOYMCLJZ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356382;MM356382;COCOC(C)OC=CF;XKEZWWQYGZCHSF-UHFFFAOYSA-N;150.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356383;MM356383;CN(C=CCO)C(=O)C#N;DWJUGMYZGJQDSB-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356384;MM356384;C=CC1(O)CC1CCC#N;CJOWGTNOQKBZNM-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356385;MM356385;C=CC(=N)N(O)C=CCC;KFFFEWDKAASAKD-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356386;MM356386;COCOC(C)OC=NO;GTCZAORZVDKQSY-UHFFFAOYSA-N;149.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356387;MM356387;C=CC(=N)N(O)C=CCN;FCZWXULUIKJBMD-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356388;MM356388;CC=NOC(C)OCCF;FRCRDMRZRGBXHU-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356389;MM356389;C=C(C)C1(CC)CC(O)C1;DCLBPPZZIFDQEJ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356390;MM356390;CC=NOC(C)OCOC;JAUJCKBHDLNAIS-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356391;MM356391;C=CC#CC=CCC(C)O;CFZYQOLXDHSVEY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356392;MM356392;CNCCN(C)CC=NO;BAXCTEDZZZCEIU-UHFFFAOYSA-N;145.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356393;MM356393;C=CC(=O)N(C)C=COC;FEEUXBBJLJDZDQ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356394;MM356394;CCCCN(C)N=CNC;DSJPUWYLVWULKV-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356395;MM356395;CON=C(C)C=CCC=O;QTOBARXNIQNXMX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356396;MM356396;C=CC(=C)N(N)C=NCC;VMGPHNRPQOUZPY-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356397;MM356397;CN=CNN(C)CCCN;WHPQPCRENWPYPN-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356398;MM356398;C#CC(C=C)=C(C)C(C)O;ZIJNKGJGCOIPPA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356399;MM356399;CN(CCCN)N=CNO;IAPUSTWYRYZXSJ-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356400;MM356400;C=CN=C(CC#N)NN=C;INSNJQFYXGBNQP-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356401;MM356401;CN=CNN(C)CCCO;ZCNHPEBORJJMEF-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356402;MM356402;C=C(C#N)N(C)C=NOC;JYKJQRFHDWSFMV-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356403;MM356403;C=C(CCC#N)C1(O)CC1;VZWDJCHMALIEHL-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356404;MM356404;C=CC(=O)N(N)C=NOC;QKFZEUMKPBCJFH-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356405;MM356405;CN=CNN(C)CCCF;FIADLUJJTYPGSR-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356406;MM356406;CON=CN(O)C(=N)C=O;MAJUTFUVOJGOJT-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356407;MM356407;CNC=NN(C)CCOC;MILWRTGFPWHJNH-UHFFFAOYSA-N;145.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356408;MM356408;CCC=NN(C)C(=N)C=O;NXUVXFOXIZKVJL-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356409;MM356409;CNN=CC(C#N)OC=O;UNBQMTSNFSBOOK-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356410;MM356410;CC#CC1=CC(O)C(C)C1;DOPZCRNCWVNNEE-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356411;MM356411;C=CCCC(F)CC=CF;VQDYJTQUTPHCSZ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356412;MM356412;C#CC(=C)C(C)(C#C)CO;HQNLZRLPPDJLBV-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356413;MM356413;O=CCCC(F)CC=CF;WLPANNJNZGLCDQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356414;MM356414;CCC#CC(C)(CC)CO;NRBLIAGWTMJBIL-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356415;MM356415;C=CCCC(F)CC=NN;XKVMTYOBOMKWHM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356416;MM356416;CCC(C)=CCC(C)CO;IOQVLXDUKRZLEV-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356417;MM356417;CC=CCC(O)CNC=N;WLJTYBBGJHRNNJ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356418;MM356418;CCC=NN(C)C(=O)C#N;BNQORSNPIPBQSX-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356419;MM356419;C#CC(C=O)=NNC=NC;GHKMLFUWERZQDG-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356420;MM356420;CC(=CCC(C)CO)CF;HPMODCSFXFSVIC-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356421;MM356421;C=NNCC(C)CC=NN;TWIWWSUCPOJTJJ-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356422;MM356422;COC(C)=CCC(C)CO;KLWRCNQUGHMUAD-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356423;MM356423;O=CC=NNCCCC=O;LRBPWNDFWBAVIX-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356424;MM356424;C=CC(C)=CCC(C)CO;UOCUMIJGDICHGK-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356425;MM356425;O=COCC(F)CC=CF;RWIKMZCFQWHAOG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356426;MM356426;C=CC(=C)C(C)C=CC#N;HNKQYNVEIRLYNU-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356427;MM356427;CC(CC=NN)COC=O;NPHDGUVPHNCLMF-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356428;MM356428;C=CC=CC(C)C(=C)C=O;JUBSFMXNXCPSHR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356429;MM356429;C=COC=NNC=NNC;RROLAEADJHTSPC-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356430;MM356430;C=C(C=O)C(C)C=CC=O;GTCKXRORHNWVCU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356431;MM356431;CN=CNC(C)CCC=O;YJUSSUNYGYFHEX-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356432;MM356432;C=C(C=O)C(C)C=CC#N;DYSDQFTXXLSMPZ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356433;MM356433;C=NN=COC=CCC=O;YSLBQOCPENFFGX-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356434;MM356434;C=C(C#N)C(C)C=CC#N;GLRPHCYVXYJOKP-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356435;MM356435;C=COCC(C)NN=CC;RGSRGBRHTAYUFH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356436;MM356436;C=CC(=O)C(C)C=CC=O;KUJFGCSWFSZGRL-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356437;MM356437;CC=NNC(C)COC=O;VHZVZYMMUJGHCP-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356438;MM356438;C=CC(=O)C(C)C=CC#N;FZDWUJLRPYGBHM-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356439;MM356439;CC(C=CC=O)C(=O)C=O;TZZCYVOUIJBYPV-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356440;MM356440;CC=COC(C)CCC=O;JIUGVEZIDSYWFQ-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356441;MM356441;CC(C=CC#N)C(=O)C=O;XEZKYUCHTNNXAP-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356442;MM356442;NN=CNN=COC=NN;JHMVXMFBGHIQQM-UHFFFAOYSA-N;144.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356443;MM356443;CC(C=CC#N)C(=O)C#N;WBKWVKXSZBLBAE-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356444;MM356444;CC(CNC=O)OC=NO;SUGSGFXQFMMAIM-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356445;MM356445;C=CC(=C)C(O)C=CC=O;VCVPBENCOVHTOK-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356446;MM356446;C=NNCC(C)OC=CF;ODDQQNORZZCXGP-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356447;MM356447;C=CC(=C)C(O)C=CC#N;KSEQUGUZJGIUCW-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356448;MM356448;C=NN=CC=COCC=O;OCSSJEWRBFQDLO-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356449;MM356449;C=C(C=O)C(O)C=CC#N;XJBLCMVZWLPKEG-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356450;MM356450;C=NNCC(C)ON=CC;RKISDNURQPJKDL-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356451;MM356451;C=CC=CC(F)C(=C)C=C;LPDCJUMAYGKAAV-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356452;MM356452;CC=CC(C)CO;ITDXMLZSEZDMFN-UHFFFAOYSA-N;100.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356453;MM356453;C=CC(=O)C(F)C=CC#N;JKZHBDTWAJSNDU-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356454;MM356454;C=COCC(C)OC=NO;LBRXNMIDIRPVOY-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356455;MM356455;O=CC=CC(F)C(=O)C=O;NXQQKLBMYYEIPL-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356456;MM356456;CC(CC=CF)NCC=O;KJYWMTQVNYRMED-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356457;MM356457;C=CC(=C)C(C)C=NN=C;UNRIDICTLRJIFY-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356458;MM356458;CC(CC=CF)NCC#N;MHUMNLUJJHXZQF-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356459;MM356459;C=NN=CC(C)C(=O)C=O;ZLXWGYJQHKXZJY-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356460;MM356460;C=CCNC(C)CC=NN;HVKQAELYCIHRCL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356461;MM356461;C=NN=CC(O)C(=C)C#N;AIHUVSNHGJTKDX-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356462;MM356462;CC=CCC(C)NNC=N;ZSVSCTNWGHKACS-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356463;MM356463;C=CC(=O)C(O)C=NN=C;MOIGAOBMLGQTIC-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356464;MM356464;CC1C=CC(O)C1;KUBSLAYXBQJWFU-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356465;MM356465;C=NN=CC(F)C(=C)C#N;SQRLARPHKJTCNW-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356466;MM356466;CC1=CC(O)CC1;ZSIRHTQYODRYMQ-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356467;MM356467;C=NN=CC(F)C(=O)C=O;HTWZAXIEFXIRJL-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356468;MM356468;CC(CC=NO)OCC=O;ZDNRHCGTNSBWEM-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356469;MM356469;CN(C=CC=O)C(=N)C#N;JWNXVPUFHRCQTA-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356470;MM356470;CC=CCC(C)ONC=N;ZHQJPYLJLLSEJD-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356471;MM356471;C=CC(=O)N(C)C=CC#N;GBHNKFVKEQKOEI-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356472;MM356472;CC(CC=NN)ONC=O;AIYAHEOLXUCEOB-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356473;MM356473;CC(C=O)=CCC(C)CO;HTJAQPQQDJECHL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356474;MM356474;CC=COC(C)OCC#N;NFVQFHULKRDPIS-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356475;MM356475;CC(C#N)=CCC(C)CO;SROQGTWHQUILKI-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356476;MM356476;CC(OC=CF)OCC#N;RWYJYTGZWRRNPF-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356477;MM356477;CC(CO)CC=C(F)C=O;SVRMAXMSHGOHFT-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356478;MM356478;Nc1c[nH]nc1F;RWTOHNNXKJMRJI-UHFFFAOYSA-N;101.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356479;MM356479;C=CC(=O)N(O)C=CC#N;OITNYYUBJUDVOL-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356480;MM356480;CC=COC(C)ONC=N;ONJUXJCHTMZMHS-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356481;MM356481;C=C(C=O)N(C)C=NC=N;GNRCRJMZIOZKRN-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356482;MM356482;CC(OC=NN)ONC=O;IGMXMFQUTCWNKN-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356483;MM356483;C=C(C#N)N(C)C=NC=N;NOHOUPYBAMLSMX-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356484;MM356484;CC(OC=NO)ONC=O;OKFPDYGKANPXGV-UHFFFAOYSA-N;148.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356485;MM356485;C=CC(=O)N(C)C=NC=N;AHUSZXUBXKCTQN-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356486;MM356486;CN=CNN(C)CCC=O;KFFHHDHCZYJXJH-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356487;MM356487;C=CC(=C)N(N)C=NC=O;KRWZLEFALJNVCL-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356488;MM356488;CCC=CC(C)CO;MPUDDMDNHKEYAK-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356489;MM356489;C=CC(=O)N(N)C=NC=N;HXUPOYKMRBYCGL-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356490;MM356490;C#CCCC(N)CC=CF;FYTOOMPQUTXAER-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356491;MM356491;C#CC(C)=CCC(C)CO;XFLDDHMNJWOVKW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356492;MM356492;C#CCCC(C)NN=CC;FAUUHNQPMXYJGA-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356493;MM356493;C=C(C=O)N(O)C=NC=O;DWCYFNCHFQBPJN-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356494;MM356494;C#CCCC(C)OC=CC;OLHLNGLBFJBBOI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356495;MM356495;N=C(C=O)N(O)C=NC=O;DSWQCSZZBXQXCY-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356496;MM356496;CC(C=CCF)CO;CXEKDVSKQCMOIT-UHFFFAOYSA-N;118.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356497;MM356497;C=NN=CN(C)C(=C)C=O;NHWTXMYTEYRTAG-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356498;MM356498;C#CCNC(C)CC=NO;SUXMWRLPCBFRIH-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356499;MM356499;C=NN=CN(C)C(=C)C#N;IOBNOSAXFRALFE-UHFFFAOYSA-N;136.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356500;MM356500;C#CCOC(C)ON=CC;MFTWZBUOGIRQDK-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356501;MM356501;C=CC(=O)N(C)C=NN=C;ZIFQUIZBLLODFH-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356502;MM356502;C=CC1C=CC(O)C1;KVADDUXNHSDGML-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356503;MM356503;C=CC(=O)N(N)C=NN=C;RSUIPKQVVOTKHD-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356504;MM356504;C=C(CC=CF)CCCN;JWAMDWFUALHLDH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356505;MM356505;C=CC=NN(C)C(=N)C=O;UTAUJEAJLIGYAS-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356506;MM356506;C=C(CC=CF)CCCF;OVJLFHUNWFQSKN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356507;MM356507;C=CC=NN(C)C(=N)C#N;JVVXZIPUCGOZRI-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356508;MM356508;O=C(CC=CF)CCCF;GGLBYHJZKGJWDQ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356509;MM356509;C=CC=NN(C)C(=O)C=O;RRJHLCOPAZXGEW-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356510;MM356510;C=C(CC=NO)CCCF;ZOXDYKWHFGYQME-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356511;MM356511;C=CC=NN(C)C(=O)C#N;NIJXLMJPGYJKLT-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356512;MM356512;C=C(CC=CF)CCNC;HZHGNSORGRPTOG-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356513;MM356513;CN(N=CC=O)C(=O)C#N;GNICBLQERAJTML-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356514;MM356514;CC=CCC(=O)CNCC;MMBSNLZAMVDBRX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356515;MM356515;C#CC=CC(C)C(=O)C=O;QTNJLODHMDIISG-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356516;MM356516;CCNCC(=O)CC=CF;KUXKYNLMCRSVQS-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356517;MM356517;C#CC=CC(N)C(=C)C=C;MAFFVXOAXNHQTO-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356518;MM356518;CCCCC(=N)NC=CF;YODMJPPEGZSZLB-UHFFFAOYSA-N;144.19;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356519;MM356519;C#CC=CC(O)C(=O)C#N;GZILGTLYDICYRX-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356520;MM356520;CC=CNC(=N)CCCN;OIGSEHQWKXFMFU-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356521;MM356521;C#CC=CN(C)C(=N)C#N;JYDGTEBOFRYGEP-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356522;MM356522;N=C(CCCN)NC=CF;QUBWRYKIUKVJJW-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356523;MM356523;C#CC=CN(C)C(=O)C#N;RWIVNJLFACMYHR-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356524;MM356524;C#CC=CN(N)C(=N)C=C;UUHYIFNFJZDIQU-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356525;MM356525;N=C(CCCO)NC=CF;FOOBCQCCRJVGQK-UHFFFAOYSA-N;146.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356526;MM356526;C#CC=CN(N)C(=O)C=C;MYAOZMVLBSPMBE-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356527;MM356527;N=C(CCCF)NC=CF;FQEKQDACRVJYCR-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356528;MM356528;C#CC=CN(O)C(=N)C=C;VHSQITITDFSIKQ-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356529;MM356529;CC=CNC(=O)CCCC;KPGUBOXASIRRLJ-UHFFFAOYSA-N;141.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356530;MM356530;C#CC(C=C)=CC(O)CC;SXAYVJBXISLGDF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356531;MM356531;CC=CNC(=O)CCCN;HFUJFJXALIIRNG-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356532;MM356532;C#CC(C=C)=CCC(C)O;YSLFVPYXSDSSMG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356533;MM356533;O=C(CCCO)NC=CF;NDDNOEKNPGUFLV-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356534;MM356534;C#CC=CN(O)C(=O)C=C;ULQXQVUXIWEKTG-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356535;MM356535;CC=CNC(=O)CCCF;UHRPBKQYMNOKIJ-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356536;MM356536;C#CC=NN(C)C(=O)C=C;QKHWIFKRGVVJGW-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356537;MM356537;O=C(CCCF)NC=CF;FBBWOPSKNCSMQG-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356538;MM356538;C#CC(=C)C(C)C=CCC;XYZLPPCDWIKABS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356539;MM356539;CNn1cc(N)nn1;CFTQFDNWQGXDQY-UHFFFAOYSA-N;113.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356540;MM356540;C#CC(=C)C(O)C=CCF;BQLKRABMOMDMDL-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356541;MM356541;CCCCC(=N)NC=NC;DGCSJAAVZRUOKH-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356542;MM356542;C#CC(=O)C(O)C=CCC;CKQCVZZFBGLGAL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356543;MM356543;C=CC1=CC(O)CC1;ZOCSWWCLPAVLIS-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356544;MM356544;C#CC(=O)C(O)C=CCO;MXSGRGXZKCPZEF-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356545;MM356545;CCCCC(=O)NC=NN;XQVCJZRCPUSIIX-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356546;MM356546;C#CC(=C)C(C)C=NNC;UBGBCGIRGICTFV-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356547;MM356547;Cc1[nH]nc(F)c1N;KAFCGADQDXPUFP-UHFFFAOYSA-N;115.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356548;MM356548;C#CC(=C)C(F)C=NNC;CEAHIBXHIMGVCG-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356549;MM356549;CC=CNC(=N)CCNC;KXGHMPNXSPUZOV-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356550;MM356550;C=CC#CC(F)CON=C;BLXXAOKPMWWPFT-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356551;MM356551;CNCCC(=N)NC=CF;GBVUDCKIBVGOSQ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356552;MM356552;C#CC(=N)N(C)C=CCC;QMJDZBCBFZHQEF-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356553;MM356553;C=C(CCNC)N=CNN;BHEYGWPFFCFVPL-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356554;MM356554;C#CC(=N)N(N)C=CCF;BYUQBYJWSCNSFG-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356555;MM356555;C=C(CCNC)N=CNO;QWOMLKKGKBMGEZ-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356556;MM356556;C=C(CC)C1(C)CC1CO;XNYAYVXBODTKGZ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356557;MM356557;CN=CNC(=O)CCNC;QRLKFQQTRGSVFF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356558;MM356558;C#CC(=O)N(O)C=CCN;RPTNUGJKSDDWOG-UHFFFAOYSA-N;140.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356559;MM356559;CN=CNC(=N)CCOC;NWUWHIPMSKHRFX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356560;MM356560;C#CC(=O)N(O)C=CCO;XRVLRIQWSBERMA-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356561;MM356561;COCCC(=O)NC=NN;PSYGREGMSUUMEL-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356562;MM356562;C#CC(=O)N(N)C=COC;SIFYFFOMYDBPOA-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356563;MM356563;CC=NNC(=O)CCCF;JTDSFVFXTKXDBV-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356564;MM356564;C#CC(=O)N(C)C=NCC;KJPADZOPQYUSGU-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356565;MM356565;CCNCC(=N)NC=CF;AHSWDYPNHNNVMZ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356566;MM356566;C#CC(=N)N(C)N=CCC;CXLSMKBAOPQPFC-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356567;MM356567;C=C(CNCC)N=CNN;WXFURQQOBXPSCI-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356568;MM356568;C#CC(=O)N(C)N=CCN;CYFOPVFAQHYURM-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356569;MM356569;CC=CNC(=O)COCC;JCPITZCVAPKURG-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356570;MM356570;C=CC=NOCC(=O)C=C;MBXNECDWMFYXHD-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356571;MM356571;CCCC=CCC(C)CO;BQOAKIRTXKZTKD-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356572;MM356572;C=C(COCC)N=CNC;OPOAYJJKICJOML-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356573;MM356573;C#CC(=C)C(C)C=CC#N;ALVXAHGEXRTVKT-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356574;MM356574;CCOCC(=N)NC=NC;GNDDNINVPHSYSJ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356575;MM356575;C#CC(=O)C(C)C=CC#N;HPDBPRFDOJHEJI-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356576;MM356576;CCOCC(=O)NC=NN;XPZSAEPIGVABAQ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356577;MM356577;C#CC(=C)C(O)C=CC=O;ZBOYFERIIBNMDJ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356578;MM356578;CCOCC(=O)NC=NO;RRYJNWYTHUOFKY-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356579;MM356579;C#CC(=C)C(O)C=NN=C;RZTDGZFALMCEJS-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356580;MM356580;C=C(CCCN)OC=NO;KBTFZWVSVDXCNV-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356581;MM356581;C#CC(=N)N(C)C=CC#N;OUALMXPXLVDQJE-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356582;MM356582;C=CC(=C)C1CC1O;GNOYOVNZUBYCGJ-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356583;MM356583;CCOC=CCC(C)CO;ATHYUSZWDDVLHE-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356584;MM356584;CC(CO)CC(C)(C)C;ZNRVRWHPZZOTIE-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356585;MM356585;C#CC(=O)N(O)C=CC=O;XSKIQINOQBKAMD-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356586;MM356586;C=C(CCNC)OC=CF;FYFYHFLVEJPBMP-UHFFFAOYSA-N;145.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356587;MM356587;C#CC(=O)N(N)C=NC=N;PGBUKWUUHFZVCI-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356588;MM356588;CNCCC(=O)OC=NN;YNQGFGAIMHELMW-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356589;MM356589;C#CC(=O)N(C)C=NN=C;UOMDFQLOLHFFFI-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356590;MM356590;C#CC=CC(C)(O)C=C;AIKPPUUYVKNEBO-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356591;MM356591;C#CC(=N)N(C)N=CC=C;HTSOFFQHOMAYIL-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356592;MM356592;C=C(CCOC)OC=NO;YESOWOISTGRGMT-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356593;MM356593;C#CC(=O)N(C)N=CC=C;NIAJDBARCKVAKG-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356594;MM356594;CC=NOC(=O)CCCC;RSUKEGLKSFHXQB-UHFFFAOYSA-N;143.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356595;MM356595;C#CC=CC(O)C(=C)C#C;XMCMPJJRXBQQLU-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356596;MM356596;CC=NOC(=O)CCOC;NRTLNALNNQFXHK-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356597;MM356597;C#CC=CC(O)C(=O)C#C;WFQHFDYNVZEMGT-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356598;MM356598;C=C1C(O)C=CC1(C)C;CJNGSOVBGXXEIT-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356599;MM356599;C#CC=CN(C)C(=O)C#C;IINZIFCSBQAFJW-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356600;MM356600;C=C(COCC)OC=NO;RQIUSMVWJOGEBW-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356601;MM356601;C#CC=CN(N)C(=O)C#C;LYGPSJFXOQNTIP-UHFFFAOYSA-N;134.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356602;MM356602;CC=NOC(=O)COCC;JBVAUSHHVWHITI-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356603;MM356603;C#CC=CN(O)C(=O)C#C;NBIIKFBCNRJQHG-UHFFFAOYSA-N;135.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356604;MM356604;CC=CCC(=N)NCCC;COPFYSJOSIVDKA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356605;MM356605;C#CC=NN(C)C(=O)C#C;KNKWIVJJAFVYMN-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356606;MM356606;CCCNC(=N)CC=CF;BNMGHCQJDXXAAA-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356607;MM356607;C=C(C=CCC)C(C)CC;ALRVOPHLEKENSI-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356608;MM356608;N=C(CC=CF)NCCN;CLZPTSQZNNYWLZ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356609;MM356609;C=C(C=CCC)C(C)CN;BMHHNAADSSTKMU-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356610;MM356610;CC=CCC(=N)NCCO;CFUXRPZZQOHBBY-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356611;MM356611;C=C(C=CCC)C(N)CC;XTRTZTBWPFZLCY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356612;MM356612;CCCNC(=O)CC=CF;FGEOEYZIENWMIB-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356613;MM356613;C=C(C=CCO)C(N)CC;OXQQDBIWHUSWDL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356614;MM356614;CC=CCC(=O)NCCO;PYMAUPQFKQBMSG-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356615;MM356615;C=C(C=CCC)C(N)CN;ZYOYNXGRBAUUIF-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356616;MM356616;N=C(CC=NN)NCCF;SEFBFXGBJXISEH-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356617;MM356617;C=C(C=CCF)C(N)CN;VNFKHMYMRJRVEV-UHFFFAOYSA-N;144.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356618;MM356618;O=C(CC=NO)NCCO;FHFSYJZMAJFRPT-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356619;MM356619;C=C(C=CCO)C(N)CO;IDRBMLIKWKIZEL-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356620;MM356620;C=C(C#N)CCC(C)O;FKWBVPAIJXSPLU-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356621;MM356621;C=C(C=CCO)C(O)CN;GKQLBUMCGGUWRG-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356622;MM356622;CC(C)C=CC(C)CO;IJFWZAPMZIBFRT-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356623;MM356623;C=C(C=CCF)C(O)CF;IGFSWUZBLRCVAK-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356624;MM356624;CCNNC(=O)CC=NO;AFIQGJQAINEMTD-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356625;MM356625;C=C(C=CCO)C(F)CN;BQNYGHGZGVGBJI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356626;MM356626;CCONC(=O)CC=CF;IBDQHRIATPSNOQ-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356627;MM356627;CCC=CC(=O)C(C)CC;KWNLSBUKMBCDOC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356628;MM356628;N=C(NC=CF)NCCO;CXDQRKIHEUGFLZ-UHFFFAOYSA-N;147.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356629;MM356629;CC(CO)C(=O)C=CCO;GYGFJMQCKFDMKV-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356630;MM356630;CC=CNC(=N)NCCF;WXEVLBOIMIYKAY-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356631;MM356631;CCC=CC(=O)C(O)CC;GJUYICUFRANMCQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356632;MM356632;O=C(C=CCF)C(O)CO;OYJYYGDKCBQHMM-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356633;MM356633;CC=CNC(=O)NCCC;QZNDWSOZMKPKNC-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356634;MM356634;O=C(C=CCO)C(F)CO;GIFGOANQNUJTIX-UHFFFAOYSA-N;148.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356635;MM356635;CC=CNC(=O)NCCO;ZOXIDDFVLJFKTA-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356636;MM356636;CCC(F)C(=O)C=CNC;QAYPVKNNRHFONA-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356637;MM356637;O=C(NC=CF)NCCO;AYHCCYAKABDLAO-UHFFFAOYSA-N;148.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356638;MM356638;COC=CC(=O)C(O)CF;BSKOJSJMXAPKNX-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356639;MM356639;O=C(NC=CF)NCCF;OIZZMKSTCGRPGM-UHFFFAOYSA-N;150.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356640;MM356640;CCC=CC(=O)C(C)NC;OUQFJFDLFIWCAI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356641;MM356641;CCCNC(=N)NC=NC;GFEPSAQYUMSYJE-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356642;MM356642;CNC(C)C(=O)C=CCO;NKFRPYIGFYUPMS-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356643;MM356643;N=C(NC=NN)NCCO;ZKTOHUBTOHVUAZ-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356644;MM356644;CNC=CC(=O)C(C)NC;AVGMOETWEPNPEN-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356645;MM356645;N=C(NC=NO)NCCO;VOGHBBIOYBIGML-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356646;MM356646;COC(C)C(=O)C=CCF;ZAYYNVARBKAWPW-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356647;MM356647;CCCNC(=O)NC=NN;VAJLPNSBDPXRNU-UHFFFAOYSA-N;144.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356648;MM356648;CNC=CC(=O)C(C)OC;WAIPCYQAEWVEDG-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356649;MM356649;CC(F)C=CC(C)CO;GAIUDPUKEDEKBG-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356650;MM356650;C=C(C=NNC)C(C)CC;GSDWZQHNQQZZDJ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356651;MM356651;CC=NNC(=N)NCCN;CSOUHCYRAWNIAV-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356652;MM356652;C=C(C=NNC)C(N)CO;BCZQMLDGACLOMS-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356653;MM356653;CC=NNC(=N)NCCO;QDIITNRDEGQYFG-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356654;MM356654;CNN=CC(=O)C(O)CO;BZNZLVDWUHTWPL-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356655;MM356655;CC(C=CC(F)F)CO;BNMGPXLMWSGYNQ-UHFFFAOYSA-N;136.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356656;MM356656;CC(CO)CC=CCC=O;JQXHUUJWDLXTQX-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356657;MM356657;CC(CO)CC1(C)CC1;FVVDCMPMRWNHQD-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356658;MM356658;CCC=CC(=N)N(C)CC;QFHPSAIMDIKYOM-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356659;MM356659;CCONC(=N)NC=NO;AZXPHPLRLMMDKZ-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356660;MM356660;CCN(C)C(=N)C=CCN;FWIPZEGCLUMARO-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356661;MM356661;CCONC(=O)NC=NC;STOMRFIDVBSJDM-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356662;MM356662;CCC=CC(=N)N(N)CC;YTONZRVXENIKJD-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356663;MM356663;CCONC(=O)NC=NN;JMCOIKIQLBTUJD-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356664;MM356664;CCC=CC(=O)N(C)CC;RORGOCPVAJMKLA-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356665;MM356665;CCONC(=O)NC=NO;PJIZYVIVUDYPJE-UHFFFAOYSA-N;147.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356666;MM356666;CCC=CC(=O)N(N)CC;RCJVSNSLWLDOMT-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356667;MM356667;CC=NNC(=O)NOCC;HDEUSFFDDHPYGY-UHFFFAOYSA-N;145.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356668;MM356668;CCC=CC(=O)N(O)CC;FMJXBFIXADQLLR-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356669;MM356669;CC(CC=O)NCC#N;YJYXHJKIXFGYFS-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356670;MM356670;CCN(O)C(=O)C=CCO;BLUYHOHVWVJZPS-UHFFFAOYSA-N;145.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356671;MM356671;CC=NOC(=O)NCCF;TYDWSEJKPGXIRB-UHFFFAOYSA-N;148.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356672;MM356672;CCN(C)C(=N)C=CNC;TXBMTTWRSVBVAH-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356673;MM356673;C#CC=CC(=C)C(C)O;SMSCMGJFTNMWHB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356674;MM356674;CCN(N)C(=O)C=CNC;JGOIRFHZLQRBOM-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356675;MM356675;C=C(CC=CF)OCCN;HHAAIOGBGWTXSG-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356676;MM356676;CCN(O)C(=O)C=CNC;CDBFUBHQBGGERI-UHFFFAOYSA-N;144.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356677;MM356677;NCCOC(=O)CC=CF;QZNAKNUTSLLHOZ-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356678;MM356678;CCN(C)C(=O)C=COC;BACCUSRXJNTPMO-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356679;MM356679;CC=CCC(=O)OCCF;ODIDDZDPZOEPLC-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356680;MM356680;CCC=CC(=N)N(C)NC;VTLPNTWKWIRFTJ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356681;MM356681;C=C(CC=NO)OCCO;NVMNRXVGRYEMHB-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356682;MM356682;CC(CO)CC=CCC#N;JWKFRLSFQTXLEI-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356683;MM356683;CCCC=CC(C)CO;UHBGDPFFDWBJPQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356684;MM356684;CNN(C)C(=O)C=CCF;IANNFTSFVZDEOO-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356685;MM356685;N=C(NC=CF)OCCN;KEIPGSBTUGHMFX-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356686;MM356686;CNC=CC(=O)N(C)NC;ZOGGIBZRKDMRGD-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356687;MM356687;NCCOC(=O)NC=CF;WKHKTVQYBDBMKE-UHFFFAOYSA-N;148.14;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356688;MM356688;CCC=CC(=O)N(C)OC;NWXVJDWUUQRTIS-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356689;MM356689;O=C(NC=CF)OCCO;WYBQJWZCVXDAFQ-UHFFFAOYSA-N;149.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356690;MM356690;CON(C)C(=O)C=CCO;WOSWXGPQFJEVFQ-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356691;MM356691;CC=CNC(=O)OCCF;KNTUZVMGVHTGLA-UHFFFAOYSA-N;147.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356692;MM356692;CNC=CC(=O)N(C)OC;GOOBHEDGEHGPOK-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356693;MM356693;C=C(N=CNO)OCCN;FDQNHANEVPDHHB-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356694;MM356694;C=COC=CCC(C)CO;YPFKTMIHBRSDAE-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356695;MM356695;C=C(NC=NC)OCCF;NRUQRLDPOKGFNM-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356696;MM356696;CC(CO)CC=COC=O;RIUQWAVGEZDFSB-UHFFFAOYSA-N;144.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356697;MM356697;CC(C=CCCF)CO;QGBLOUAICRBKLP-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356698;MM356698;C=CC=CC(=C)C(C)CC;NPUXKEHJASYVPX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356699;MM356699;C=CCC=CC(C)CO;CUDJKHNOGLMDHL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356700;MM356700;C=C(C=CC#N)C(C)CC;KNTVVQBLFFIYDO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356701;MM356701;C#CCC=CC(C)CO;CNUYXTUEQBZHOW-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356702;MM356702;CC=CC=CCC(C)CO;RQVSNVFQXFMVRL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356703;MM356703;C=C1C(O)C=C(C)C1C;WRIXYLWQWWYOLS-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356704;MM356704;C=C(C=CC=O)C(C)CF;SGMOXMLSBLNBJU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356705;MM356705;COCOC(=O)NC=NN;SNFHNRSDDZZJRY-UHFFFAOYSA-N;147.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356706;MM356706;C=CC=CC(=C)C(N)CC;SMNDALBPWOLUKG-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356707;MM356707;COCOC(=O)NC=NO;VEXDFJAZERUSMN-UHFFFAOYSA-N;148.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356708;MM356708;C=CC=CC(=C)C(N)CN;VYHVJWSXENUOAH-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356709;MM356709;C=CC=CC(=C)C(N)CO;BSBFXJSQVUBERO-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356710;MM356710;CC=COC(=O)OCCC;HCKXMEORDFRPDG-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356711;MM356711;CC(CO)CC=CC=NN;VEHKNDUSXCEZLA-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356712;MM356712;C=CC(=C)C1CC(O)C1;UUUIPWYDGHAHJA-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356713;MM356713;C=C(C=CC=O)C(O)CO;DBKGMYIEYLRFCJ-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356714;MM356714;NCCOC(=O)OC=NO;QLUCKMIQNUJCNO-UHFFFAOYSA-N;148.12;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356715;MM356715;C=C(C=CC#N)C(O)CF;TULVDNAQZXCCDP-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356716;MM356716;C=C(C=O)C1CC(O)C1;NWFIVULJDPXGIM-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356717;MM356717;C=CC=CC(=O)C(C)CC;JSXDKAJRBJJFRQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356718;MM356718;COCOC(=O)OC=CF;IAAATDSNTVTTME-UHFFFAOYSA-N;150.11;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356719;MM356719;C=CC=CC(=O)C(C)CF;QEYMRPGZAYESGH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356720;MM356720;CC=NOC(=O)OCCC;STHKSRMWOCCWDC-UHFFFAOYSA-N;145.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356721;MM356721;N#CC=CC(=O)C(O)CF;XGLJHQVFHNHPLZ-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356722;MM356722;C=C(CC=CF)CCC=O;GWUPIFMJPQFXMI-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356723;MM356723;C=CC=CC(=O)C(F)CC;HNPCQGQZLDNBJO-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356724;MM356724;C=CCCC(=O)CC=CF;RRMANFFLPYYGOB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356725;MM356725;C=CC=CC(=C)C(C)NC;UQWGONYZFWUWCY-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356726;MM356726;C=C(CC=NO)CCC=O;UOINAZQAFONYKZ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356727;MM356727;C=C(C=CC=O)C(C)NC;FZOQKURXMLHGIW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356728;MM356728;CC=CCC(=O)CN=CN;CGLNDWHPANCLMT-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356729;MM356729;CNC(C)C(=O)C=CC=O;MZVDEBQLVZDNHP-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356730;MM356730;C=C(CC=NO)CNC=N;QFWJEQJTRYUYGC-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356731;MM356731;CNC(C)C(=O)C=CC#N;JSVPJHPLDZALHS-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356732;MM356732;C=C(CC=NO)CNC=O;KXCYMKFQSUYOTH-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356733;MM356733;C=CC=CC(=C)C(C)OC;FQHRJJRHLMCHPY-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356734;MM356734;C=NNCC(=C)CC=CF;QEUKNRXOAVSOPJ-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356735;MM356735;COC(C)C(=O)C=CC=O;SMASPAGJDAAESG-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356736;MM356736;C=COCC(=O)CC=CC;KSFJBJFEWWPHQD-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356737;MM356737;C=NN=CC(=C)C(C)CN;WOZQFWMSHPQSLS-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356738;MM356738;C=COCC(=O)CC=CF;UOZGRKUANSOWGV-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356739;MM356739;C=NN=CC(=O)C(O)CC;HSPVFDMOUAEDNO-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356740;MM356740;CC=CC1C=CC(O)C1;BZDRIZAGOYHITO-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356741;MM356741;C=NN=CC(=C)C(C)NC;PMPHBGUYFGHSGK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356742;MM356742;C=CCCC(=N)NC=CF;XCQKZUYTKOPGHA-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356743;MM356743;C=CC=CC(=O)N(O)CC;VXSGLSXUKQOQPP-UHFFFAOYSA-N;141.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356744;MM356744;C=CCCC(=O)NC=CC;WSILQORXMRYGCN-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356745;MM356745;C=CC=CC(=N)N(C)NC;HDVZKIYADMHSQM-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356746;MM356746;C=CCCC(=O)NC=CF;STYHLYLTTUZTMC-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356747;MM356747;CNN(C)C(=N)C=CC=O;RMBFCJRCOOAPMZ-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356748;MM356748;CC=CC1=CC(O)CC1;OLCDDPALVBYBOC-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356749;MM356749;CNN(C)C(=N)C=CC#N;YWQGQSXUVDLKQV-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356750;MM356750;CN=CNC(=O)CCC#N;SYROOBKSRVSEHF-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356751;MM356751;C=CC=CC(=O)N(C)NC;DYPVHVCBSISRQU-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356752;MM356752;N#CCCC(=O)NC=NO;BPAOHLRDGHSSGV-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356753;MM356753;CNN(C)C(=O)C=CC=O;CEOUSIAFQVBNDC-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356754;MM356754;C=C(C=CC)C1CC1O;PUADYHCWPGHJHT-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356755;MM356755;CON(C)C(=O)C=CC#N;UIVBNOQTCJVANK-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356756;MM356756;CCC(CO)CCC#N;IPJKESBTKVNDMR-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356757;MM356757;C=NN=CC(=O)N(N)CC;IXKFTKNRZLXBLA-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356758;MM356758;N=CNCC(=N)NC=NN;BAQRGCDKNKEUJN-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356759;MM356759;C=NN=CC(=O)N(C)NC;SUAQBMMFDCBDBY-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356760;MM356760;N=CNCC(=N)NC=NO;UJVZFNXNOSOEIH-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356761;MM356761;C#CC=CC(=C)C(C)CC;WXKCXANMOFQZRD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356762;MM356762;NC=NCC(=O)NC=NN;WOGYTQCOPUWZSR-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356763;MM356763;CCCC#CCC(O)CC;UWQZATMGBARJPE-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356764;MM356764;NC=NCC(=O)NC=NO;ONKSGMKVEMWAKV-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356765;MM356765;C#CC=CC(=C)C(C)CF;XNRCQWBXZLQLKG-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356766;MM356766;C=NNCC(=N)NC=CC;JGFUDIRLHMRVHW-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356767;MM356767;C#CC=CC(=C)C(N)CN;YEODXLRBQKGGNO-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356768;MM356768;C=NNCC(=N)NC=CF;YXSXMJYKEYCCMV-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356769;MM356769;C#CC=CC(=C)C(O)CO;UHRYEYXHBCUXHF-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356770;MM356770;C=NNCC(=C)NC=NC;VFQGMIXVHYLVNF-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356771;MM356771;C#CC=CC(=C)C(C)OC;VZBOLBACUTYHMY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356772;MM356772;CC=NNC(=O)CN=CN;PJSOIQQQLRRNAR-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356773;MM356773;C#CC=CC(=O)C(C)OC;FYVQTKGEJAZMSM-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356774;MM356774;CC=CNC(=O)COC=O;NOZNCPYHUKBEDV-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356775;MM356775;C#CC=CC(=O)N(C)CC;YDUVBVSFFRTKOT-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356776;MM356776;O=COCC(=O)NC=CF;GKXSRYWUAZFWQE-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356777;MM356777;C#CC=CC(=N)N(C)OC;JSMDJGGDYPJTHK-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356778;MM356778;CC(C=CC1CC1)CO;OLJALTQDOLRVJP-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356779;MM356779;C#CC=CC(=O)N(C)OC;VZYMLBJLCYRPDR-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356780;MM356780;C=C(COC=O)NC=NC;LNYRUYQIWXNYMT-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356781;MM356781;C=CC(C)C(=C)C=CCC;OZUYRWKJHKZMCN-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356782;MM356782;C=COCC(=O)NC=NC;RWZNAPUPPSPDBJ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356783;MM356783;C=C(C=CCF)C(C)C#N;QBGRTQKKTSABRH-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356784;MM356784;CC(C=CC1CO1)CO;JCEMDHIBYQPELV-UHFFFAOYSA-N;128.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356785;MM356785;C=CC(N)C(=C)C=CCN;CTUODRHJAGXGSD-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356786;MM356786;C#CC12CC1C(=O)CN2;YMWAGFUTVQTTPP-UHFFFAOYSA-N;121.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356787;MM356787;C=CC(N)C(=C)C=CCO;BWBLQYIWZVSMHP-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356788;MM356788;O=CCCC(=O)OC=CF;ATNLISNRKKGLBI-UHFFFAOYSA-N;146.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356789;MM356789;C=C(C=CCC)C(O)C=O;GYKLOJLVVHANPS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356790;MM356790;C=C(CNC=N)OC=CF;PBFNZZPSPLHOTM-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356791;MM356791;C=C(C=CCO)C(O)C=O;PHXKCBDYCAANGI-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356792;MM356792;NN=CNN=COC=O;UIQDIXUFJBMOLW-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356793;MM356793;C=C(C=CCO)C(F)C#N;XFZPVVPXXHEXAM-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356794;MM356794;CC=COC(=O)CN=CN;FRCMDMLVROMGGF-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356795;MM356795;C=CC(C)C(=O)C=CCF;DCIZVVFKUUFIRJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356796;MM356796;N=CNCC(=O)OC=CF;NJJLWMKFBDTDCW-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356797;MM356797;N#CC(O)C(=O)C=CCO;OQWZABUQOUMPEL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356798;MM356798;CC=COC(=O)CNC=O;NGWSLVYJQAGDCB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356799;MM356799;CNC=CC(=O)C(O)C#N;IMBQJJYNPPOUEP-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356800;MM356800;O=CNCC(=O)OC=CF;GVKYMPRZKMEAMW-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356801;MM356801;C=CC(F)C(=C)C=COC;CIVLCIQKGQHWBK-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356802;MM356802;C=C(CNC=N)OC=NN;LGMCEZCQOFTFQT-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356803;MM356803;COC=CC(=O)C(O)C#N;OBOAGJFMZUENFC-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356804;MM356804;CC(C=CC(C)(C)O)CO;NKOUSPWTMGDFKG-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356805;MM356805;C=C(C=NNC)C(C)C#N;FTMOUHMLMOGJSG-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356806;MM356806;C=C(CNC=O)OC=NO;BOQNHYJXUFLMHW-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356807;MM356807;CNN=CC(=O)C(O)C=O;PLTKICMFTLEYNZ-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356808;MM356808;C=NNCC(=C)OC=CC;KZHLCYOYXTYIPM-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356809;MM356809;C=CC1(C)C(C)N1CC=O;GNEDYPDVDZRRPJ-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356810;MM356810;CC(C=CC(C)(C)F)CO;QCRNJJJUZSYXOD-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356811;MM356811;C=C(C=CCC)N(N)C=O;INGFJBHUBFWNST-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356812;MM356812;C=COCC(=O)OC=CC;WLDKRERMTPDGNW-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356813;MM356813;C=CN(C)C(=N)C=CCC;AYASANZPMYKORM-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356814;MM356814;CCC(C)(C)CC(C)CO;BVLCBFFLJLEBAA-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356815;MM356815;CCC=CC(=N)N(C)C=O;MPZFAELGLZRYJW-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356816;MM356816;C=COCC(=C)OC=NO;XUTXQFPUXVNKMT-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356817;MM356817;C=CN(N)C(=N)C=CCC;CKWHERWPXSGPRF-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356818;MM356818;C#CC#CC(=C)CC(C)O;XLCXCOYJYIRQJX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356819;MM356819;N=CN(N)C(=N)C=CCO;ROOYVIHKQLANKL-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356820;MM356820;C=COCC(=O)OC=NO;KPQOJBKLIBTIQS-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356821;MM356821;C=CN(O)C(=N)C=CCO;UHZWZLBVPYGXDI-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356822;MM356822;CC(CO)CC1(C)CC1O;PKFSLUFFTOGFRJ-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356823;MM356823;C=CN(C)C(=O)C=CCN;LDZCFLLRZBOIAM-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356824;MM356824;O=COCC(=O)OC=NO;MESPMROTDZXAMX-UHFFFAOYSA-N;147.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356825;MM356825;C=CN(C)C(=O)C=CCO;ONSZWSSAMNHBAW-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356826;MM356826;C=NOCC(=O)OC=CC;WUYJSGTZKPKQQQ-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356827;MM356827;C=CN(N)C(=O)C=CCC;QDPIENMNMNQVCE-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356828;MM356828;C=NOC(C)CC(C)C=O;HXZKJSPTHVZIRQ-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356829;MM356829;C=NNCC(C=O)CCC;COLJZKYMNSYHDW-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356830;MM356830;CCOC(=N)NN=COC;NAQVGIXOEQHDLI-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356831;MM356831;C=CC(CCC=O)C(C)O;JNLANQYROZGNFP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356832;MM356832;C=COCC(=O)ON=CC;LFOUZKMHKIIFSW-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356833;MM356833;C=CN(O)C(=O)C=CCC;HPHPHWXIRQRTMO-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356834;MM356834;C=CCNC(=N)CC=CC;KLJAVTWONCDSCL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356835;MM356835;CNC=CC(=N)N(C)C=O;RHQLROFGNSWXHE-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356836;MM356836;C=CCNC(=N)CC=CF;KNHVBPVNHGYOCM-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356837;MM356837;CNC=CC(=O)N(N)C=N;MQVTWOAZFNTXDW-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356838;MM356838;CC=CCC(=N)NCC=O;QUDRPXBFOROXCE-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356839;MM356839;CNC=CC(=O)N(N)C=O;KOLYTILXLZGASE-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356840;MM356840;N#CCNC(=N)CC=CF;CKOOTRJPKKHDBJ-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356841;MM356841;C=CN(O)C(=O)C=CNC;QYRNJCUUSHSHFQ-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356842;MM356842;N#CCNC(=N)CC=NO;LGHZNGMKAYYAPV-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356843;MM356843;C=C(C=COC)N(N)C=O;WXGMSMSSNHNDPD-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356844;MM356844;N#CCNC(=O)CC=NO;HKDXCMDGNLXGTM-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356845;MM356845;COC=CC(=N)N(C)C=O;VWNFBLIICFVYQM-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356846;MM356846;CC=CCC(=N)NNC=O;RYCJKMXXHFEIJF-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356847;MM356847;COC=CC(=N)N(N)C=O;IYSWYGDKHRGMLV-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356848;MM356848;N=C(CC=CF)NNC=O;ZCYJWJXKBCCLPH-UHFFFAOYSA-N;145.14;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356849;MM356849;COC=CC(=O)N(N)C=N;QGJQVXKRRSTLHF-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356850;MM356850;NC=NNC(=O)CC=NN;XVSQACUUJAPEGJ-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356851;MM356851;C=NN(C)C(=O)C=CCC;YHVUKSLVCMMNLH-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356852;MM356852;NC=NNC(=O)CC=NO;BCAFRVZFDFVJAW-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356853;MM356853;C=NN(C)C(=O)C=CNC;NVLOIQOQRPRYHK-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356854;MM356854;C=CCNC(=O)NC=CF;MNVZALGBYQBADL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356855;MM356855;C=NN(C)C(=N)C=COC;HGIZFWUHNQMQKK-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356856;MM356856;N#CCNC(=O)NC=CF;KAWGMDSGGZKRKX-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356857;MM356857;C#CC1CC(=O)N(N)C1=N;ACEBAMKPPWQNNL-UHFFFAOYSA-N;137.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356858;MM356858;CN=CNC(=N)NCC#N;SAIBUKNPESHJEZ-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356859;MM356859;CON=CC(=N)N(C)C=O;OOMHIMGHQJPTQM-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356860;MM356860;C=C(CC#CCC)C(C)O;RXXFYDHFANLJMB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356861;MM356861;CON=CC(=O)N(C)C=O;UMWRYCYRLZAHHN-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356862;MM356862;C=CCC=CC(O)C(=C)C;FLJHKEJNEYGGIB-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356863;MM356863;C=CN(N)C(=O)C=NOC;YXEFJMKZRNYRNB-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356864;MM356864;CC=CNC(=O)NNC=O;UWJVTDHUWQYIDA-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356865;MM356865;CON=CC(=O)N(N)C=O;KOTZWFUHJVFMAK-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356866;MM356866;N=CNNC(=N)NC=NN;QRFZLADYMPONKB-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356867;MM356867;N=CNNC(=N)NC=NO;VRDNAZSKYWPEHU-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356868;MM356868;C=CN(O)C(=O)C=NOC;FTUWHPFUAUKBEU-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356869;MM356869;N=C(NC=NN)NNC=O;YRZCRXRLVAVEIA-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356870;MM356870;C=CC=CC(=C)C(C)C=C;ZWIIEAHPSWFAJU-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356871;MM356871;N=C(NC=NO)NNC=O;JQQHOKNAZPIRSY-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356872;MM356872;C=CC(C)C(=C)C=CC#N;XTPXALKJAJTZLN-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356873;MM356873;N=CNNC(=O)NC=NN;QLQXMNVMDWNAGD-UHFFFAOYSA-N;144.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356874;MM356874;C=C(C=CC=O)C(C)C=O;FLEJLXIKJUDYJA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356875;MM356875;N=CNNC(=O)NC=NO;VJDLAPLBUDAHCL-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356876;MM356876;C=CC=CC(=C)C(N)C=C;VQJUCSXZJVDFDH-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356877;MM356877;NN=CNC(=O)NNC=O;JUDVYPDSVAZRIN-UHFFFAOYSA-N;145.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356878;MM356878;CC1(C)C2CC(CO)CC21;OIXODIXSUUOJTM-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356879;MM356879;O=CNNC(=O)NC=NO;HIJODXFXLMLGAJ-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356880;MM356880;C=CC(C=O)NN=COC;AMXHUNNKSSYSOA-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356881;MM356881;CC=NNC(=N)NNC=N;AUCBPIXEOKKQNF-UHFFFAOYSA-N;142.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356882;MM356882;C=CC=CC(=C)C(O)C=O;LNLKMTPCHBDJCB-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356883;MM356883;CC=NNC(=N)NNC=O;CZOKVAXPNBKJIZ-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356884;MM356884;C=C(C=CC#N)C(O)C#N;DKDDCJCGBJNGIO-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356885;MM356885;CC=NNC(=O)NNC=N;RAKSJCPZTGCKBX-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356886;MM356886;C=CC=CC(=O)C(C)C=C;XGBODHWLIQDVEM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356887;MM356887;NN=CNC(=O)NOC=O;TVQMQIQHFNZSSA-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356888;MM356888;CC(C=O)C(=O)C=CC#N;VOKAIMGFWAYXGU-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356889;MM356889;N=CNNC(=N)OC=NN;GDLSWVAUTWXTRW-UHFFFAOYSA-N;144.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356890;MM356890;C=CC=CC(=O)C(O)C=C;GIPSOHAMOCFFOJ-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356891;MM356891;N=CNNC(=N)OC=NO;CFIAJZOIQHAUTA-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356892;MM356892;N#CC(F)C(=O)C=CC=O;XLLHMICLDYZTHL-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356893;MM356893;C=C(C)C(O)C=CCC=O;GPLMKDKGMDTLDS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356894;MM356894;C=CC(C)C(=C)C=NN=C;FZZUXMWAYLHIJE-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356895;MM356895;C=C(C#CC)C(=C)C(C)O;CAFLUSKUCDOUEH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356896;MM356896;C=CC(N)C(=C)C=NN=C;BWYSUOAIAGYKPM-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356897;MM356897;O=CNNC(=O)OC=NO;ZJUNPHRDJMCIBV-UHFFFAOYSA-N;147.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356898;MM356898;C=CC(O)C(=C)C=NN=C;BOEYTINJVRFAQZ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356899;MM356899;CC=NOC(=N)NNC=N;QNDHTEOZGYJBOX-UHFFFAOYSA-N;143.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356900;MM356900;C=CC(F)C(=C)C=NN=C;ORGQURQXPQLRHX-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356901;MM356901;C=NN=C(C=CN)NN=C;BQCCXQZTTHSYHY-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356902;MM356902;C=NN=CC(=O)C(C)C=O;JLTJFQRHTRCWFQ-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356903;MM356903;CC=NOC(=O)NNC=N;LGAOGERLTHPOIL-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356904;MM356904;C=NN=CC(=O)C(C)C#N;JMDCBBQFHKUVBH-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356905;MM356905;CC=NOC(=O)NNC=O;ONKMCHOKDPGNAG-UHFFFAOYSA-N;145.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356906;MM356906;C=CC(F)C(=O)C=NN=C;QPDIBTFDCNHZFV-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356907;MM356907;C#CCn1nc(C)c(N)n1;DNAGAVQCMHMCBJ-UHFFFAOYSA-N;136.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356908;MM356908;NC(=O)CN=C(N)C(=O)O;BNRAMBJCERNCMC-UHFFFAOYSA-N;145.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356909;MM356909;N=C(NOC=O)OC=NO;CGVHRMFRFSQNQP-UHFFFAOYSA-N;147.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356910;MM356910;C=NN=CC(=O)C(F)C#N;FODHTBMTPPJJCU-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356911;MM356911;O=CONC(=O)OC=NO;ASJZGTIBINVDCH-UHFFFAOYSA-N;148.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356912;MM356912;C=C(C=CC#N)N(C)C=N;OTRHEJKIKAEWIV-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356913;MM356913;CCC(C)C=CC(C)CO;MAAZOPYUMFYPNE-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356914;MM356914;C=CC=CC(=C)N(C)C=O;WJLKNLWCIBBYKQ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356915;MM356915;CC=CNC(=O)OCC=O;XKVYWIUQDUDNGZ-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356916;MM356916;C=CC=CC(=C)N(N)C=N;IKQUOIXDDXDSAP-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356917;MM356917;N#CCOC(=O)NC=CF;PVUGZRVUALWIQL-UHFFFAOYSA-N;144.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356918;MM356918;C=C(C=CC=O)N(O)C=O;YPJDXJJAQANIDY-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356919;MM356919;C=C(NC=NC)OCC#N;INFWEZVXTHHKQH-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356920;MM356920;CN(C=N)C(=N)C=CC=O;GVHXFOYWDRUSPQ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356921;MM356921;CC(C=O)C=CC(C)CO;WYIWHTYSTGGJGX-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356922;MM356922;CN(C=N)C(=N)C=CC#N;ZPYOAXQTTAAQSH-UHFFFAOYSA-N;136.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356923;MM356923;C=CCOC(=O)NC=NC;WGBITULCIPHSGO-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356924;MM356924;C=CC=CC(=N)N(C)C=O;IEJSPYLRJVWEQH-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356925;MM356925;C=CCOC(=O)NC=NN;CIYRXUCAITXHKJ-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356926;MM356926;CN(C=O)C(=N)C=CC=O;QLBWADHLIHWPEZ-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356927;MM356927;C=CCOC(=O)NC=NO;NIGFDODSTPZSST-UHFFFAOYSA-N;144.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356928;MM356928;CN(C=O)C(=N)C=CC#N;XUAZCSSLFXWRBW-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356929;MM356929;C=CC=CC(=N)N(N)C=N;VXEOXKXSMGWARR-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356930;MM356930;O=CCOC(=O)NC=NO;CAGKOUXJLKQMNR-UHFFFAOYSA-N;146.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356931;MM356931;C=CC=CC(=O)N(C)C=C;KWILHKLRTLCETK-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356932;MM356932;C=CCOC(=O)NN=CC;WFVOPDJUVSSZKY-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356933;MM356933;C=CC=CC(=O)N(C)C=N;IORGYDQBCAWHKT-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356934;MM356934;O=CNOC(=O)NC=CF;BNKDQLDLXDXGLB-UHFFFAOYSA-N;148.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356935;MM356935;CN(C=O)C(=O)C=CC=O;HYLXQFNLRLEJHK-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356936;MM356936;N=C(NC=NN)ONC=O;WUELYBWZHQCUPW-UHFFFAOYSA-N;145.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356937;MM356937;C=CC=CC(=O)N(N)C=O;DRSSVEAPOGOUPU-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356938;MM356938;N=C(NC=NO)ONC=O;ARKSDZXKKYPBBH-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356939;MM356939;C=CN(O)C(=O)C=CC#N;UATLBJMPSLOXFM-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356940;MM356940;NN=CNC(=O)ONC=O;ALWSXOFRTIWNAR-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356941;MM356941;C=NN(C)C(=O)C=CC#N;WYLLXRWXWUVIJV-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356942;MM356942;CC=COC(=O)OCC#N;BJDVLHDPJNRBND-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356943;MM356943;C=NN=CC(=C)N(C)C=N;NCZPATGOCGJLIM-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356944;MM356944;C=CCOC(=O)ON=CC;ZWSZICMBJLCAMA-UHFFFAOYSA-N;143.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356945;MM356945;C=CN(C)C(=O)C=NN=C;BXOAGSFJIUSUGN-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356946;MM356946;C#CCCC(=C)CC=NN;WZBIANZIRKJNPJ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356947;MM356947;C#CC=CC(=C)C(C)C=C;GZJLKYOZVFVGNB-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356948;MM356948;C#CCCC(=N)NC=CC;JRKWAVLKUYYHRL-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356949;MM356949;C#CC=CC(=C)C(N)C=C;HVOGYXXDEXWZOF-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356950;MM356950;C#CCCC(=O)NC=CC;YSGBBBWJVADPDP-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356951;MM356951;C#CC=CC(=C)N(N)C=N;GFMKMFOGAWGOSY-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356952;MM356952;CC(C#N)C=CC(C)CO;OOIASAZLAVCOFO-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356953;MM356953;C#CC=CC(=C)N(N)C=O;UQZVBZKQLBOCPX-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356954;MM356954;C#CCCC(=O)NN=CC;YJJRGXZJDKPNDV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356955;MM356955;C#CC=CC(=N)N(N)C=C;ACJOEWWSPDHUMJ-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356956;MM356956;C#CCNC(=N)CC=CC;RFJNJZBSVAQMGZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356957;MM356957;C#CC(O)C(=C)C=CCN;UCIBPILTDZGCBF-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356958;MM356958;C#CCNC(=O)CC=CC;WGOPIMHGNPUMLK-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356959;MM356959;C#CC(F)C(=C)C=CCO;VWFXLXHTSROKMB-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356960;MM356960;C#CCNC(=N)NC=NN;KIUHDGBBFFAEQG-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356961;MM356961;C#CC(C)C(=O)C=CNC;AGBRZSOYOZEGDU-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356962;MM356962;C=CC(F)C=CC(C)CO;ABMGPPDYQUZZBU-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356963;MM356963;C#CC(C)C(=C)C=CC=C;IPXBYPXXDXULLA-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356964;MM356964;C#CCNC(=N)NN=CC;YJFQWMIAFQSWHI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356965;MM356965;C#CC(C)C(=O)C=CC=C;BYUIHRSZBOSPIW-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356966;MM356966;CC(C=CC(F)C#N)CO;HTWBUYGOGBENLG-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356967;MM356967;C#CC(F)C(=O)C=CC#N;VUYPSLGDJSGQSI-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356968;MM356968;C#CCNC(=O)ON=CC;XFORRRLEVPINSW-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356969;MM356969;C#CC(C)C(=C)C=NN=C;AZTAXDAECQSDHU-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356970;MM356970;C#CCOC(=O)CC=NO;UDQOQDLCVPJYLS-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356971;MM356971;C#CC(F)C(=O)C=NN=C;MMTSZOUFUQCJTJ-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356972;MM356972;C#CCOC(=O)NC=CF;XITMXYXPUXDQDL-UHFFFAOYSA-N;143.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356973;MM356973;C#CC=CC(=C)C(C)C#C;XMOFSJAHAQWDGN-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356974;MM356974;C#CC(C)C=CC(C)CO;XMRAQXGQQADXGX-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356975;MM356975;C#CC=CC(=C)C(O)C#C;GHNHTZRJDVXHTR-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356976;MM356976;CC=C(C#N)CCC(C)O;CWHUVESZNZGCDT-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356977;MM356977;C=C(C=CCC)C(=C)CN;WLVILVWSXNGAAH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356978;MM356978;C#CCOC(=O)OC=CF;FRQUOUKIPQYYLJ-UHFFFAOYSA-N;144.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356979;MM356979;C=C(C=CCC)C(=C)CF;SHGZTVRMBMBUCJ-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356980;MM356980;CC#CCC(N)CCNC;HYZONBZOBJNEQC-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356981;MM356981;C=C(C=CCO)C(=C)CF;JOKNBPPMPBKRIP-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356982;MM356982;CC#CCC(F)CCNC;QFUIMCGPBNCUCM-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356983;MM356983;C=C(C=CCC)C(=O)CF;OJOUWSXVWHZZAI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356984;MM356984;CC#CCC(C)NCCO;MMONPOARXXSOSH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356985;MM356985;C=C(CC)C(=O)C=CCC;WOVHJVMABJNNMH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356986;MM356986;CC#CCN(C)CCCN;GJQMZKUDPGTKEZ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356987;MM356987;C=C(CO)C(=O)C=CCO;MRKGNOOJXOHOIB-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356988;MM356988;CC#CCC(O)COC=O;KCZONNWWOCSZRU-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356989;MM356989;C=C(CF)C(=O)C=CCC;YOSHZQUHZFLEFP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356990;MM356990;CCC=CC(=O)C(=O)CC;FKZMFFMGZQJEJU-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356991;MM356991;C=NOCC(C)CC#CC;JUBMSHQLJAUJAC-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356992;MM356992;C=C(CC)C(=O)C=CNC;XFGGQLALBCGPSU-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356993;MM356993;CC#CCC(C)NNC=N;HEQAZBQPSUFDSS-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356994;MM356994;CCC(=O)C(=O)C=CNC;BKVKBUZOCFBVEL-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356995;MM356995;CCC1(CC(C)CO)CC1;SOSZIALSTQDUIW-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356996;MM356996;C=C(C=COC)C(=C)CC;IKEPLZKCJCPADO-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356997;MM356997;C#CCCC(C)CC#CC;LJHZMBYZTINQMF-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356998;MM356998;CNN=CNC(C#N)=CN;UOPGQWHQERKQLC-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM356999;MM356999;CC#CCC(=O)CCCO;YOBQCSPWGWIVGK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357000;MM357000;C=C(C=COC)C(=O)CC;OGKLOCSQVOMVBK-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357001;MM357001;CC#CCC(=O)CCCF;QRWXNIRJURUTSH-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357002;MM357002;C=C(CF)C(=O)C=COC;CZBKRZCVPZKTRO-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357003;MM357003;C=C(CC#CC)CCNC;BONHAXUEJKECFP-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357004;MM357004;COC=CC(=O)C(=O)CO;JEDZJALIGSXJKR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357005;MM357005;CC#CCC(=O)CCNC;NGXYRBCQBWKHLX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357006;MM357006;C=C(C=CCF)C(=N)NC;CODVDAAYIWMECG-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357007;MM357007;C=C(CC#CC)CNCC;OJYAKAICDVMSIH-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357008;MM357008;C=CC(C#N)N(C)CC=O;WFCFWIZAGSGIDR-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357009;MM357009;CC#CCC(=O)CNCC;YEOQFLWEFIIKGW-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357010;MM357010;CCC=CC(=O)C(=O)NC;FYGOSXYKCFUHEJ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357011;MM357011;CC#CCC(=O)NCCC;ILNXEOZAXUALJS-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357012;MM357012;CNC(=O)C(=O)C=CCO;ILCWLTRNZNKDJE-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357013;MM357013;CC#CCC(=N)NNCC;PBQKUKKEMGQZRF-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357014;MM357014;CNC=CC(=O)C(=O)NC;RGFKAOUOAOURPY-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357015;MM357015;CC#CCC(=O)OCCO;SXEUAIVUOKOPOG-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357016;MM357016;C=C(C=COC)C(=N)NC;XMGSSNRJGRODSC-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357017;MM357017;C=C(CC#CC)CCC=O;QTFRMVSVUXTFKQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357018;MM357018;C=C(C=COC)C(=O)NO;BSJXSQWYBFXFFW-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357019;MM357019;CC(CO)CC1(CO)CC1;BKFXZFARPMQUPQ-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357020;MM357020;C=C(OC)C(=O)C=CNC;WIDXZNXLHFHFMU-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357021;MM357021;CC#CCC(=N)NCC=O;SHHMSQHVPNNIGB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357022;MM357022;C=C(OC)C(=O)C=COC;CPUVDNFMZRAGMF-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357023;MM357023;C=CCNC(=O)CC#CC;XIWKYAJRZLZCEU-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357024;MM357024;C=C(C=NNC)C(=C)CN;UIVJWBGWZLNAHY-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357025;MM357025;CC#CCC(=O)NCC=O;HPGHADBZZPTZCC-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357026;MM357026;C=C(C=NNC)C(=C)CF;LESLNJLIONZTML-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357027;MM357027;CC#CCC(=O)NN=CN;GKCJNMMLNWURNH-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357028;MM357028;C=C(C=NNC)C(=O)CC;QEVYAJSPEXDFMH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357029;MM357029;CC(CO)CC1(CF)CC1;NCBJBQMPFXUUSO-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357030;MM357030;CNN=CC(=O)C(=O)CO;STNIJMXQBOBAOU-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357031;MM357031;NC(CC=CF)CC=CF;SMHDAPPLKFSGMH-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357032;MM357032;CCC1(C=O)CN1CC=O;NJBOKDDRBKYPAY-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357033;MM357033;NC(CC=CF)CC=NO;HGQNAMKHYHLBBB-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357034;MM357034;C=C(CC)C(=O)C=NOC;HGWXHDGVDFLGJK-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357035;MM357035;C#CC(=C)C(O)C(C)C#C;MPPDZOWGPPFPDK-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357036;MM357036;CN(CC=O)C1(C#N)CC1;RMVITUMFMNJJIO-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357037;MM357037;CC(CC=CF)N=CNN;FEWCDSOKFRKJSN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357038;MM357038;C=C(C=NNC)C(=N)NC;SXTBXRNXEQRELS-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357039;MM357039;CC(CC=NN)N=CNN;SIADBVHEWXJKMY-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357040;MM357040;C=C(C=NOC)C(=N)NN;AEDWKDCOLNWDLG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357041;MM357041;CN=CNC(C)CC=NO;XSRNLMHXGIDTQA-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357042;MM357042;CC1=CC(CO)CCC1C;ZGSRHSBCQCFNKH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357043;MM357043;CC=CCC(C)NN=CC;AVRCWKBQEFNHML-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357044;MM357044;C=CC=CC(=C)C(=C)CC;RLAYUULDCCDMGX-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357045;MM357045;CC=NNC(C)CC=NN;CIXWNFLJAUZJOQ-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357046;MM357046;C=C(C=CC#N)C(=C)CC;URQQQZFSDJSHMC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357047;MM357047;C=CC(O)C(=C)CCC=O;RMOLZVGNWQOKIL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357048;MM357048;C=CC=CC(=C)C(=C)CF;NUVXKIHGISRZFL-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357049;MM357049;C=C(C=CC#N)C(=C)CF;HAKCRKHQWVDAGL-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357050;MM357050;C=CCC=C(C)C(O)C=C;WIRDKQPTYQOMJO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357051;MM357051;C=CC=CC(=C)C(=O)CC;VXIXMYYDZKHXTG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357052;MM357052;CC=COC(C)OC=NO;FPTKETFJHXWUAW-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357053;MM357053;C=C(CC)C(=O)C=CC#N;GRMUCOFYJWRVJX-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357054;MM357054;CCOC=NOC(C)C=O;RBGFHMLBOVFVAM-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357055;MM357055;C=CC=CC(=O)C(=C)CO;ZLEPYFANWPBRMP-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357056;MM357056;CC(OC=CF)OC=NO;HKJPMCSSJYYTOC-UHFFFAOYSA-N;149.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357057;MM357057;CCC(=O)C(=O)C=CC=O;PZZRHQXPHOZPSX-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357058;MM357058;CC=NOC(C)ON=CC;ZZBBPGXQQVSIIM-UHFFFAOYSA-N;144.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357059;MM357059;CCC(=O)C(=O)C=CC#N;STXANMDSNSVXTC-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357060;MM357060;CC=CCN(C)NC=NC;SWSPSAOZABOJDV-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357061;MM357061;N#CC=CC(=O)C(=O)CO;XLDWWQYALUGMIL-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357062;MM357062;C=COC=NOC(C)C=O;MFZQXTZRYRXAKS-UHFFFAOYSA-N;143.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357063;MM357063;C=CC=CC(=C)C(=N)NN;GEVXXFGVDRRTBI-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357064;MM357064;CN=CNN(C)CC=CF;DVJGUPFXAQSEFC-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357065;MM357065;CC12C=CC(CO)CC1C2;VTGGWRHXWXEGBU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357066;MM357066;CC=CCC(=N)NC=CF;HNGVQFREZSZQEW-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357067;MM357067;C=C(C=CC=O)C(=O)NO;MBQSTKXCOFPOMI-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357068;MM357068;CC=CNC(=N)CC=CF;VVRWJFXDZSVETG-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357069;MM357069;CN=C(N)C(=O)C=CC#N;ZWTUYXAJDXIURH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357070;MM357070;N=C(CC=CF)NC=CF;XCHUOWOLYVESDF-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357071;MM357071;CNC(=O)C(=O)C=CC=O;YJTLKTGFLOMIIC-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357072;MM357072;CC=CCC(=O)NC=CC;RSQUTHJAMNCITR-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357073;MM357073;COC(=O)C(=O)C=CC#N;IIEDQGRALLNRFY-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357074;MM357074;CC=CCC(=O)NC=CF;VWFHZGCKNDMZCG-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357075;MM357075;C=NN=CC(=C)C(=C)CO;OJIMGDKGFOVOIF-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357076;MM357076;CC=CNC(=O)CC=CF;GRBIQOWKKJUTLT-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357077;MM357077;CC#Cc1ncc(NC)o1;IVYRCQPQESJGQC-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357078;MM357078;CC=CCC(=N)NC=NC;CXQFIDALBXCWJF-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357079;MM357079;C=NN=CC(=O)C(=O)CF;NBJMZNOKGLVVJR-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357080;MM357080;CC=CCC(=O)NC=NC;NSKAOUHVJGJKFW-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357081;MM357081;C=NN=CC(=O)C(N)=NO;VGLPJQIZWIGADX-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357082;MM357082;CC=CCC(=O)NC=NN;KIFDKDNTWOXWQX-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357083;MM357083;C=NN=CC(=O)C(=C)OC;YFTWQKLCIIXDLU-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357084;MM357084;CC=CCC(=O)NC=NO;CHJAZNORSMIIQG-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357085;MM357085;C=NN=CC(=O)C(=O)OC;PFSGKMGCEHYGLR-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357086;MM357086;CC=CNC(=N)CC=NO;HDSJGAHBQIDFHT-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357087;MM357087;C#CC=CC(=C)C(=C)CC;KTTZGAXEBVMAKO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357088;MM357088;N=C(CC=NO)NC=CF;IBAGTZFNKPXXMG-UHFFFAOYSA-N;145.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357089;MM357089;C#CC=CC(=C)C(=C)CF;RCHSGDQUXLOAOQ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357090;MM357090;CCCCC=CC(C)CO;VKDQYFGLSCDVLW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357091;MM357091;CC#CC1CC(CO)C1C;YTKFBPPASGAKNF-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357092;MM357092;C=C(CC=NN)OC=NO;ATHQTLNDCOTZEQ-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357093;MM357093;C#CC=CC(=C)C(=O)NO;PGBNDYANBFQZRP-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357094;MM357094;C=C(CC=NO)OC=NN;VCHYXTHOBDWIIB-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357095;MM357095;C=C(C#N)C(=C)C=CCC;XAIYCSMVZLULNG-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357096;MM357096;CC=CCC(=O)ON=CC;ZSGOWNIMDFVJIY-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357097;MM357097;C=C(C=CCC)C(=O)C=O;ZQIYVBMZVORJRI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357098;MM357098;N=C(NC=CF)NC=CF;SRBFDBSYHTWUPS-UHFFFAOYSA-N;147.13;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357099;MM357099;C=C(C=CCO)C(=O)C=O;RJHSZHLOHBKGEX-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357100;MM357100;CC=CNC(=O)NC=CC;NPEFRNQLUSCACG-UHFFFAOYSA-N;140.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357101;MM357101;C=CC(=C)C(=O)C=CCC;YKQLLVRPTDXDNV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357102;MM357102;CC=CNC(=O)NC=CF;SIQOMIMFGOJECU-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357103;MM357103;C=C(C=O)C(=O)C=CCO;OUIWJLSISSNHLU-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357104;MM357104;O=C(NC=CF)NC=CF;DVTJALBFNSQARS-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357105;MM357105;C=CC(=O)C(=O)C=CCO;GGDPWGULZWJODI-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357106;MM357106;N=C(NC=CF)NC=NO;AMSMSCHGRSSYRV-UHFFFAOYSA-N;146.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357107;MM357107;C=CC(=O)C(=O)C=CCF;BQTDNWVEWDUPTJ-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357108;MM357108;CC(C=CCCC#N)CO;LJYRRMBGQCPMCC-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357109;MM357109;N#CC(=O)C(=O)C=CCO;KVIJGVHJCMLRAF-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357110;MM357110;CC=CNC(=O)NC=NN;SHUQZCIIBVDOJN-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357111;MM357111;O=CC(=O)C(=O)C=CCF;MBCDYWZKEKWKPD-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357112;MM357112;C=C(NC=NC)NC=NC;NXPLGIYFCFKUIX-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357113;MM357113;C=CC(=C)C(=O)C=CNC;MILGDXUIFFSZPE-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357114;MM357114;CN=CNC(=N)NC=NC;ANPDKSXLINTACG-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357115;MM357115;C=C(C=O)C(=O)C=CNC;BFPPCAAORRJLQX-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357116;MM357116;N=C(NC=NN)NC=NN;CISLURCTONYFEM-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357117;MM357117;C#CCC1=CCC(=C)C1O;XXWLRVXDHRHWQH-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357118;MM357118;N=C(NC=NN)NC=NO;BOJSHZQGRRZZHQ-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357119;MM357119;C=C(C#N)C(=O)C=NOC;VJXCQLDGNMBQHC-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357120;MM357120;CC=CCC=CC(C)CO;JQEUFCRIPPPSNI-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357121;MM357121;C=CC(=O)C(=O)C=NOC;XJYYMZAHFRFAON-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357122;MM357122;CC(C=CCC=NN)CO;MAYINOOLDCYBGP-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357123;MM357123;C=CC=CC(=C)C(=C)C#N;WNHJOBGNLJSKDY-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357124;MM357124;N=C(NC=CF)OC=NO;UBBMKRUQRXOCNJ-UHFFFAOYSA-N;147.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357125;MM357125;C=C(C#N)C(=C)C=CC=O;GCXMVCMXSMZCBM-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357126;MM357126;CC#CCC=CC(C)CO;POMJVOLDWQHSMI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357127;MM357127;C=C(C=O)C(=C)C=CC#N;NJSDVEISEQYPCL-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357128;MM357128;C=C(NC=NC)OC=NN;IEXJFFDZNPPCHK-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357129;MM357129;C=CC(=O)C(=C)C=CC#N;ZXKXNULPPJWHRM-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357130;MM357130;C=C(NC=NC)OC=NO;OZWVKQHLFWZFMQ-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357131;MM357131;C=C(C=CC#N)C(=O)C#N;GCWXHNYZIFORRN-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357132;MM357132;N=C(NC=NO)OC=NO;LUFWPFNKGPSTCM-UHFFFAOYSA-N;146.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357133;MM357133;C=CC=CC(=O)C(=C)C#N;JUSPECMYGWXNJO-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357134;MM357134;NN=CNC(=O)OC=NO;FMAMHTZQPCNBTC-UHFFFAOYSA-N;146.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357135;MM357135;C=CC=CC(=O)C(=O)C=C;GELJABTWRAFKMM-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357136;MM357136;CC=CNC(=O)ON=CC;NPASMYYFGXIGEX-UHFFFAOYSA-N;142.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357137;MM357137;N#CC=CC(=O)C(=O)C=O;UUMGZQNKIVFVET-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357138;MM357138;CC=NOC(=O)NC=CF;BSNWZHWMVRCQEF-UHFFFAOYSA-N;146.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357139;MM357139;N#CC(=O)C(=O)C=CC=O;YJRXCYMIMHZKIL-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357140;MM357140;CC=NOC(=O)NC=NO;PMWRAPIVWFYQJH-UHFFFAOYSA-N;145.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357141;MM357141;C=CC(=C)C(=O)C=NN=C;BDLIVDLVXUHFLY-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357142;MM357142;C=NOCC(C=O)C(C)C;FVFVPSYQJDKEQS-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357143;MM357143;C=NN=CC(=O)C(=C)C=O;RUFFGQWBWHJSKG-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357144;MM357144;CC=NNC(=O)ON=CC;RGXAOLZVYKSPFD-UHFFFAOYSA-N;143.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357145;MM357145;C=CC(=O)C(=O)C=NN=C;FCQOEGRDFWQPMO-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357146;MM357146;CC=COC(=O)OC=CC;FKHLEPRLQCKLCI-UHFFFAOYSA-N;142.15;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357147;MM357147;C#CC=CC(=C)C(=C)C=O;YVLSJOXBLLDANT-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357148;MM357148;N=CNN=c1onc(N)o1;YUNQKDXUTBJPHQ-UHFFFAOYSA-N;143.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357149;MM357149;C#CC(=C)C(=C)C=CCC;LEBQMMVVVYNBPE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357150;MM357150;CC=COC(=O)OC=NO;FUKCZMOBMBBJGP-UHFFFAOYSA-N;145.11;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357151;MM357151;CNN=CC#CCCC=O;LHFLIUUZWSRRHX-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357152;MM357152;CC#CCC(C)CC=NN;KMNKCNUPLRPSHQ-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357153;MM357153;C#CC(=C)C(=O)C=CC=O;MTXMCRBBNMIERQ-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357154;MM357154;CC#CCC(C)CC=NO;PVYZYHPFPQCEDT-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357155;MM357155;C#CC(=C)C(=C)C=NN=C;ABCXRYYIZRGODX-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357156;MM357156;CC#CCC(O)CC=NO;CERUXDKSOSQBBG-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357157;MM357157;CC=C(C)C(C)C=CCC;VFOADRPZBQAADR-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357158;MM357158;CC#CCC(C)NN=CC;UJMCSPSKYZRTLW-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357159;MM357159;CC(=CF)C(C)C=CCO;QKIQPRPRFPSHOY-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357160;MM357160;CCC=CC(N)C(C)=CF;KJPSMNHCPHELRU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357161;MM357161;CC#CCN(C)NC=NC;SPPZWYASFAYUDK-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357162;MM357162;CC(=CF)C(F)C=CCN;VLRSHBBXBXCVME-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357163;MM357163;CC#CCC(=O)CC=CC;PLMVUOBIDCMPIH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357164;MM357164;COC=CC(O)C(F)=CF;WJQUJVPXKFRNIA-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357165;MM357165;CC#CCC(=O)NC=CC;NKCHNOXAWYMTKG-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357166;MM357166;CC=C(C)C(C)C=NNC;PORAPWBBQXPNFT-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357167;MM357167;CC#CCC(=O)NC=NN;ZWCCCKDPPFASHU-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357168;MM357168;CC=C(F)C(C)C=NNC;HZESANOWSNPPKY-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357169;MM357169;CC#CCC(=O)ON=CC;NZVSKWZVWQSOEJ-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357170;MM357170;N#CC1C=CC(C=O)CN1;AXORPEUCCWGIED-UHFFFAOYSA-N;136.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357171;MM357171;CC#CCC(C)CC#CC;FVYJUEYFKFZXEK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357172;MM357172;CC=C(C)C(N)C=NOC;XPPFAEDEBFEZEM-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357173;MM357173;CC(C=CCN)CCCN;ILOQHMAMYZDZQG-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357174;MM357174;CC(=NN)N(C)C=CCO;QXRZIJKVCUTAFB-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357175;MM357175;CC(C=CCO)CCCN;ZBFNQOMREKFROY-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357176;MM357176;C=CC1C2CC(CO)CC12;NACNEQMUNAUHMU-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357177;MM357177;CC(C=CCN)CCCO;WLSAMMQKTMWNEL-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357178;MM357178;CN=C(C)N(O)C=CCF;REOLJIPAZZVQEI-UHFFFAOYSA-N;146.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357179;MM357179;CC(C=CCN)CCCF;AKZJSZXMEWHLBL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357180;MM357180;CC(=NO)N(O)C=CCN;XMNOAJMTOHFJBI-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357181;MM357181;CC(C=CCO)CCCF;SNCPVDHWVAPTOX-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357182;MM357182;CC(=NO)N(O)C=CCO;YWKLXHVFNLCUJV-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357183;MM357183;NCCCC(N)C=CCF;WXODDIGPFKVBDH-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357184;MM357184;CCN=CN(C)C(C)=NC;ULVNPEYVOODECW-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357185;MM357185;CCC=CC(N)CCCF;BUMKJRJZQQFSTB-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357186;MM357186;CN=C(C)N(C)C=NNC;VQYHKYDEBQRZRF-UHFFFAOYSA-N;142.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357187;MM357187;CCC=CC(F)CCCN;ZFLBAMBUVPRTJQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357188;MM357188;Nc1ccon1;RHFWLPWDOYJEAL-UHFFFAOYSA-N;84.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357189;MM357189;CNCCC(C)C=CCO;HHQDUESWYNWAOZ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357190;MM357190;CC(C)=CCC(C)O;LVKFVRBJGDAPIH-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357191;MM357191;CCCCC(C)C=NNC;NGDJACGMPJXCNI-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357192;MM357192;CC#CCC(O)CC;VOHBMHAELZLACG-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357193;MM357193;CNN=CC(C)CCCN;HVVOFWRDGXCVIB-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357194;MM357194;C#Cc1ncc(N)o1;BOYZHDYNHLQNSJ-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357195;MM357195;CCC(C=O)C=NN=CN;HKUMKGCBDBNIQP-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357196;MM357196;NNC1=NC(=O)C=N1;ZJJPZEAKVYLJMU-UHFFFAOYSA-N;112.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357197;MM357197;CN=C(C)N(C)N=COC;KDJXRZHDFSUJRV-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357198;MM357198;CNN=CC(C)CCCF;MTRMXRICMSOIAZ-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357199;MM357199;CC=C(C)C(C)C=CC=O;LPRNBDZCOHCHCI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357200;MM357200;CON=CC(C)CCCF;LEBOTVUKBOUCKN-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357201;MM357201;CC=C(C)C(C)C=CC#N;FTTBQFFAIMLPMY-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357202;MM357202;CNCCC(N)C=NNC;ZRZKLTNDWATPMR-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357203;MM357203;CC(=CF)C(C)C=CC=O;PLGJWKCOTUCXGC-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357204;MM357204;CNCCC(O)C=NNC;NSHZETNEVIOBLP-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357205;MM357205;CC(=CF)C(C)C=CC#N;FHUNBTJJYCDIAP-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357206;MM357206;CNCCC(C)C=NOC;HDQXKXKSTMSHTJ-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357207;MM357207;C=CC=CC(N)C(C)=CC;SVHLTTLSEFXXOR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357208;MM357208;C#CC1(CO)CC1CCC;HWAKIVAVHLYDGQ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357209;MM357209;C=CC=CC(N)C(C)=CF;COZUYYAEYMEXPS-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357210;MM357210;CCNCC(O)C=CCO;RJAJXJZAAYXRJX-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357211;MM357211;O=CC=CC(O)C(F)=CF;RPJLGTHTTLWPIW-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357212;MM357212;CCNCC(N)C=NOC;OJLSDTZDLDMEEA-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357213;MM357213;N#CC=CC(O)C(F)=CF;YJKKDQPRWCACBI-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357214;MM357214;CCOCC(N)C=CCN;ODPKFADRFHECAC-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357215;MM357215;CC(=NO)C(C)C=CC=O;FONAADIJYZSQDP-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357216;MM357216;CCOCC(O)C=CCF;MBVWIWDDKFXBKY-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357217;MM357217;CC(=NO)C(C)C=CC#N;LZEFJQPOEKASGG-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357218;MM357218;CCOCC(F)C=CCO;KGEGEDVBMCCZHQ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357219;MM357219;C=NN=CC(C)C(C)=CC;WGFSZFBCJMFRGG-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357220;MM357220;CC#CC12CC1C(=O)CN2;BPEWAQPBTFYGQV-UHFFFAOYSA-N;135.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357221;MM357221;C=NN=CC(C)C(F)=CF;DSYOQBGPIOAGKJ-UHFFFAOYSA-N;146.14;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357222;MM357222;C=CC(C=O)C1NC1CF;VSIUOVXJTULLID-UHFFFAOYSA-N;143.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357223;MM357223;C=NN=CC(O)C(F)=CF;PAQGFACKXCQXNL-UHFFFAOYSA-N;148.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357224;MM357224;COC=CC(C)NCCO;OKQCVQPQFNMBKL-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357225;MM357225;C=NN=CC(F)C(C)=CC;GQTZMVBJYVSDRW-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357226;MM357226;CC(C=CCF)OCCO;OBNFHIQWDWVFAQ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357227;MM357227;C=NN=CC(C)C(C)=NO;NBKKPZRZZYMHOC-UHFFFAOYSA-N;141.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357228;MM357228;COC=CC(C)OCCO;TWNVHXIPWFMTCA-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357229;MM357229;CC(=NO)N(O)C=CC=O;FVVDOWXFGQEWII-UHFFFAOYSA-N;144.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357230;MM357230;CON=CC(C)OCCN;ZWMBOHQQZQHMED-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357231;MM357231;CC(=CF)N(C)C=NC=O;PDWJXKYGHMHZMY-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357232;MM357232;CCN=CN(N)CCCO;GGNVDTNUWKYHEP-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357233;MM357233;CC=C(C)N(N)C=NC=O;XZGIXGMCEVDBFK-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357234;MM357234;CCN=CN(N)CCCF;KTQMDGMSLCJMJA-UHFFFAOYSA-N;147.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357235;MM357235;CC(=CF)N(N)C=NC=O;MCLYRFZPBLMVRO-UHFFFAOYSA-N;145.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357236;MM357236;CCN=CN(O)CCCN;GDVSVHAZIYPIKD-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357237;MM357237;CN=C(C)N(C)C=NC=N;WNZVYPSETAHPLP-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357238;MM357238;CNN=CN(C)CCCN;PETLRGCMRICFKK-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357239;MM357239;Cc1onc(N)c1C;VPANVNSDJSUFEF-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357240;MM357240;CNN=CN(C)CCCO;JPQKLTHPCZRUJJ-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357241;MM357241;CC#CC(C)(CC)CO;IRQJBPNHKPCXLS-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357242;MM357242;CNN=CN(O)CCCN;CPECAHKVKLQEKI-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357243;MM357243;C=CC(=C)CC(C)CO;QSXGNKKVUMJDPZ-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357244;MM357244;CCNN=CNN=COC;WXXCYJMSQDKYQC-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357245;MM357245;CCC(C)=CCC(C)O;XHOIOCZHGVKWSS-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357246;MM357246;C=CC1CC(O)C1;QEWXJWQXMLMQNN-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357247;MM357247;CC(=NO)N(O)C=NC=N;HJACEOSGWFGRTE-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357248;MM357248;CON=CN(O)CCCN;GBICEBDSAGZIAW-UHFFFAOYSA-N;147.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357249;MM357249;C=NN=CN(C)C(C)=NO;LHUHKBXFNURMEM-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357250;MM357250;CC(C)CC(C)CO;OVOVDHYEOQJKMD-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357251;MM357251;CN=C(C)N(C)N=CC=O;WVNMOQDZADMLNA-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357252;MM357252;CC(=CCC(C)O)CF;KVABQXKEBGNVRP-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357253;MM357253;CNCCN(C)C=NNC;GRRKSVUVACTBHA-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357254;MM357254;CC1(O)CC1CCC#N;GTNHKRLMKXKAIQ-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357255;MM357255;CNCCN(N)C=NNC;OGZDDASHGMEXTP-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357256;MM357256;CC(=NO)N(C)N=CC=O;BHPTXIYVEVNOBY-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357257;MM357257;CNCCN(N)C=NOC;NPCXUKXGSGGTJO-UHFFFAOYSA-N;146.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357258;MM357258;C#CC=CC(C)C(C)=CC;KNPUJIUOGSGADS-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357259;MM357259;CC=CC1CC(O)C1;CYJFRBBMWSTPOP-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357260;MM357260;C=CC(O)C(=C)C(=C)C;DNWIYVJTUWKHLI-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357261;MM357261;CCC=NN(C)CCCN;OKUHXRIPIIVNEY-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357262;MM357262;CC1=C(F)CC(=NN)O1;BPKAGKNOGJWYHJ-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357263;MM357263;CC(CO)CC1CC1;OBLPBQPCPDIYSA-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357264;MM357264;C#CC=CN(N)C(C)=NC;DLMDVKNIICPEIB-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357265;MM357265;C#CC1C(C)C1CO;SYQFCHNGMJRLIA-UHFFFAOYSA-N;110.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357266;MM357266;C#CC=CN(O)C(C)=NO;VBTCAZCOIRDMQS-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357267;MM357267;COC=NN(C)CCCN;QMUAIBBQUIBFKT-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357268;MM357268;C#CC=NN(C)C(C)=NC;KAYRFLCNMYEEMQ-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357269;MM357269;C=NNC(C)(C)CC=O;ANDHSLIOZWTFPS-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357270;MM357270;C=C(C=CCF)C(C)=CF;HPTUUEATDFLVKM-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357271;MM357271;CCC=NN(C)CCNC;HKKGVXHVWJBWAS-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357272;MM357272;CC(=CN)C(=O)C=CCO;PQHJURIFUGUVOW-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357273;MM357273;CCCNN(C)C=NCC;AHSSCYNBULEXPA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357274;MM357274;CC=C(C)C(=O)C=CNC;HPHUSSLIOHSNAW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357275;MM357275;CCN=CN(C)NCCF;FBNHXYYNAAVFNF-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357276;MM357276;CCC=CC(=O)C(C)=NO;BHXAWCCERSCLCO-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357277;MM357277;CNN=CN(C)NCCN;IEQHMWXEGGIQMY-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357278;MM357278;CC(=NO)C(=O)C=CCO;UBRATKSRXYNNNJ-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357279;MM357279;CNN=CN(C)OCCN;CGVHSPJFZRVEJZ-UHFFFAOYSA-N;146.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357280;MM357280;C#CC1CC(CO)C1C;PZRUGGRGFXFNFL-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357281;MM357281;CCC(C)CC(C)CO;GDRBQWCGBCJTLB-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357282;MM357282;CN1C(C=O)CC1C=O;JGZZBFVTFRNANB-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357283;MM357283;CON=CN(C)OCCN;DVWCGQSIARBARD-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357284;MM357284;N=C1NC=C(C=O)C1=O;VXWDFWNPJICHAY-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357285;MM357285;CC(CO)CC(C)CO;ZJWDJIVISLUQQZ-UHFFFAOYSA-N;132.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357286;MM357286;C=Nn1nnc(N)c1C;ATUPJERFLQMTMX-UHFFFAOYSA-N;125.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357287;MM357287;CC(CO)CC(C)CF;OGPPHEUVHPPMEP-UHFFFAOYSA-N;134.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357288;MM357288;CON=CC(=O)C(F)=CF;DXPJWIQHEWCIBI-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357289;MM357289;C=CC=CC(N)CCCO;PQDDEDWOPJMCLJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357290;MM357290;C=C(C=CC#N)C(C)=CC;YKHGGDGUYGWZRC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357291;MM357291;CCCCC(F)C=CC=O;YAATYPIQFARBJH-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357292;MM357292;C=CC=CC(=C)C(C)=CF;NOODLEVUVNNCIH-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357293;MM357293;C=CC=CC(F)CCCN;AIHVLLNRNNSIAU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357294;MM357294;C=CC=CC(=O)C(C)=CF;DUXKPEWVZLZPEJ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357295;MM357295;N#CC=CC(F)CCCO;RUPXNLUDMKSTNA-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357296;MM357296;CC(=CF)C(=O)C=CC#N;PLTZXEHYPYVXHH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357297;MM357297;CNCCC(C)C=CC=O;QOFFEUDAXRCACV-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357298;MM357298;C=C(C=CC=O)C(C)=NO;URMSDMNEYXRWTG-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357299;MM357299;COCCC(F)C=CC=O;LECHACMHBPCPAB-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357300;MM357300;CC(=NO)C(=O)C=CC#N;ISZXHCPDNUXERL-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357301;MM357301;C=NN=CC(O)CCNC;XMVMHMOZAXJZFE-UHFFFAOYSA-N;143.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357302;MM357302;C#CC=CC(=O)C(C)=CC;OXVGBDNFGROHAA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357303;MM357303;C=NN=CC(O)CCOC;TWKVORYYKDTAQZ-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357304;MM357304;C#CC=CC(=C)C(C)=NO;YHIQFJGFEUXGLP-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357305;MM357305;CCNCC(C)C=CC=O;IDCWIZLRMLQLDZ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357306;MM357306;C#CC=CC(=O)C(C)=NO;YASPQJIOKKQIFF-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357307;MM357307;C=CC=CC(N)CNCC;IZKZTRDOZBHEGW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357308;MM357308;CCC#CC(C)C(C)CC;JYOIGCPCRKFSDM-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357309;MM357309;CCNCC(O)C=CC#N;RFPYHEVNSWVLEJ-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357310;MM357310;CCC(C)C(C)C#CCN;UUKULHHBPGUDCW-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357311;MM357311;CCNCC(F)C=CC=O;MMMKWTGNTDGZPD-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357312;MM357312;CCC(C)C(C)C#CCO;BJXIIUHVADCFFV-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357313;MM357313;CCOCC(O)C=CC#N;XHZVZCUGKQVVLC-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357314;MM357314;CCC#CC(C)C(C)CN;VEIAWCSHWYARGE-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357315;MM357315;C=NN=CC(O)COCC;PUPUDDZZCFQTNB-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357316;MM357316;CC(C#CCF)C(C)CN;NZSVCOOMHLLVAN-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357317;MM357317;CCCNC(C)C=CC#N;KSADTVLALXZUBI-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357318;MM357318;CCC#CC(C)C(C)CF;FAJPHQJIJDSNRW-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357319;MM357319;C=CC=CC(C)NCCN;HZHKRZGUHLPLLK-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357320;MM357320;CC(C#CCN)C(C)CF;PNZWKVCZKSSSLD-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357321;MM357321;COCCN(C)C=CC#N;UWWXXSRBDVYNSX-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357322;MM357322;CC(C#CCO)C(C)CF;RIYYMGBNCOIZKR-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357323;MM357323;CN(C=NC=N)CCCN;WMZIPNMUHOHIGN-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357324;MM357324;CCC#CC(C)C(N)CC;JUMZLRZGZWTOAF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357325;MM357325;CCC(N)C(C)C#CCO;UGIKTUYKBUTMKQ-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357326;MM357326;CN(C=NC=N)CCCO;RFXPUFRULIMKAE-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357327;MM357327;CCC(N)C(C)C#CCF;HDZZHFVBXHDRON-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357328;MM357328;CN(C=NC=N)CCCF;LZBSAPQADSVVPJ-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357329;MM357329;CC(C#CCN)C(N)CN;CRZOYAXJQHGGDK-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357330;MM357330;C=CC(C)=CC(C)CO;KUOCBQGPXWWYOE-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357331;MM357331;CC(C#CCO)C(N)CN;VJXXXZLTOAJSIU-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357332;MM357332;O=CN=CN(O)CCCO;NIGHSZOWNFTEKW-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357333;MM357333;CC(C#CCF)C(N)CN;OSUBCROZDCXIKB-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357334;MM357334;C=NN=CN(C)CCCN;IUXMINSZNWBGNX-UHFFFAOYSA-N;142.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357335;MM357335;CC(C#CCN)C(N)CO;JRBWPPCGRBBHRX-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357336;MM357336;C=NN=CN(C)CCCF;FBIGSKOZKCKCBL-UHFFFAOYSA-N;145.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357337;MM357337;CCC#CC(C)C(N)CF;IHERGCVTUCEJHE-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357338;MM357338;C=C(CC#CC)C(C)O;SGBFPSQVEWNNBW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357339;MM357339;CC(C#CCN)C(N)CF;YAEARNVHGLZHDX-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357340;MM357340;CNCCN(C)C=NC=O;WAUDBVGVFLMHTR-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357341;MM357341;CC(C#CCO)C(N)CF;XYXDJCGOPJCIDR-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357342;MM357342;COCCN(N)C=NC=O;IPLHYHKYDZCBJJ-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357343;MM357343;O=CC(=O)CCN1CC1;SFNBJNMZRKFKLD-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357344;MM357344;C#CC=CC1CC(O)C1;FNHKQPPYTLEGEN-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357345;MM357345;CCC(O)C(C)C#CCN;KGPXXEZELZFPMY-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357346;MM357346;COCCN(O)C=NC=O;FGPDVIQVRGBRGQ-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357347;MM357347;CCC(O)C(C)C#CCO;AIXWBMAOPNSTJF-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357348;MM357348;C#CC=CCC(O)C=C;HCSWXTNJMVLCMY-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357349;MM357349;CC(C#CCN)C(O)CN;QPSGFHVUCIINST-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357350;MM357350;CNCCN(C)N=CC=O;XAXWKKFZCHKZHQ-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357351;MM357351;CC(C#CCO)C(O)CO;YJJBEPWXFZOPFM-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357352;MM357352;CNCCN(C)N=CC#N;HRIQQCQSSOFOPS-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357353;MM357353;CCC#CC(C)C(F)CC;DCGOMIKNNWXVQH-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357354;MM357354;C=CC=NN(C)CCOC;XCGRKYKODMTNHP-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357355;MM357355;CCC(F)C(C)C#CCN;BJHJHMKIUVZECM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357356;MM357356;COCCN(C)N=CC=O;FJRRUCHOFQJZTO-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357357;MM357357;CCC(F)C(C)C#CCO;BFUPLPGJYBWNEG-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357358;MM357358;CC(CO)CC1CC1C;SJZUZMOEXAJMBC-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357359;MM357359;CCC#CC(C)C(F)CN;GLWHBGKBQSAHAH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357360;MM357360;COCON(C)C=NC=N;YBQQBKMEIAIAOE-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357361;MM357361;CC(C#CCN)C(F)CN;CIEHGVXGPTXGPD-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357362;MM357362;C#CC=CC(N)CCCN;UBBZDEOFBGRSKG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357363;MM357363;CCC#CC(C)C(F)CO;FONAUXCXTNGNFM-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357364;MM357364;C#CC=CC(N)CCCF;XCVYVMJRIHJWLH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357365;MM357365;CC(C#CCO)C(F)CO;DLMQMZOHLBSFAR-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357366;MM357366;C#CC=CC(O)CCCN;PGUFUAARLYCUTQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357367;MM357367;CCC#CC(C)C(F)CF;ILYDAONPXUPYCX-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357368;MM357368;C#CC=CC(N)CCNC;YMDSCYDHACIIKI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357369;MM357369;CC(C#CCN)C(F)CF;VLSFNTCAUHFGAQ-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357370;MM357370;C#CC=CC(F)CCNC;KVABNBCOLBNPED-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357371;MM357371;CCC#CC(N)C(C)CC;JOCVRUGAXOMDSM-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357372;MM357372;C#CC=CC(C)CCOC;CDBCBIGLCDPQOU-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357373;MM357373;CCC(C)C(N)C#CCN;VIHSICXJOWJMHQ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357374;MM357374;C#CC=CC(C)COCC;FMLXCLBOARFTOI-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357375;MM357375;CCC(C)C(N)C#CCO;OMNDUOAUJDZEEP-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357376;MM357376;C#CC=CC(C)OCCO;GZPBYJOHSPEMKM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357377;MM357377;CCC(C)C(N)C#CCF;OGOLDIIGSAFVBZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357378;MM357378;CCC=CC(C)CCC#N;ICQYRFQACUIWCD-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357379;MM357379;CC(CN)C(N)C#CCF;KNPUDHKFDZZFNM-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357380;MM357380;CC(C=CCO)CCC=O;ZTOACHFWXBGOLT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357381;MM357381;CCC#CC(N)C(C)CO;UPLDSFPKHKSEKR-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357382;MM357382;C=CCCC(N)C=CCO;SLCULROBHRNGNY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357383;MM357383;CC(CO)C(N)C#CCF;RJBSVXJXSABOPD-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357384;MM357384;C=CCCC(F)C=CCN;HNADURYXSYSHGR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357385;MM357385;CC(CF)C(N)C#CCN;LAVUJTJDEMQSOW-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357386;MM357386;CCC=CC(F)CCC=O;DKSUNOVKSSFMBR-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357387;MM357387;CC(CF)C(N)C#CCO;OWBZRGCVHVDJAC-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357388;MM357388;COC=CC(O)CCC=O;CWDKHLVLVCHPHX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357389;MM357389;CC(CF)C(N)C#CCF;XRZWXUWNLMPYTH-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357390;MM357390;C=CCCC(C)C=NNC;MTABYHNSKYZGKM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357391;MM357391;CCC#CC(N)C(N)CC;LCPMPAUYGPNVLO-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357392;MM357392;CC(CO)CC1CC1F;WVOQYNTZCVWEBE-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357393;MM357393;CCC(N)C(N)C#CCO;AWJBRVISUKWKJJ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357394;MM357394;C=CCCC(N)C=NOC;ZIXLGSXQTDGHKP-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357395;MM357395;CCC#CC(N)C(N)CN;OIFXFAZTYLLJRS-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357396;MM357396;C=Nn1nnc(F)c1N;GSFSAHLOZVCESB-UHFFFAOYSA-N;129.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357397;MM357397;NCC#CC(N)C(N)CN;DMPTYDJROIDZEU-UHFFFAOYSA-N;142.21;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357398;MM357398;C=NN=CC(C=O)CC;BQAPJRFRPVSSDS-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357399;MM357399;NCC(N)C(N)C#CCO;HDZPLLUUEWRPSG-UHFFFAOYSA-N;143.19;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357400;MM357400;CC(C=CCN)CNC=N;XIVMFOIGOXNICA-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357401;MM357401;CCC#CC(N)C(N)CO;ASRRUXYPIXJJJY-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357402;MM357402;CC(C=CCO)CNC=N;OIMVWIQUGKWBAF-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357403;MM357403;NCC#CC(N)C(N)CO;GMQRXVLTSOPFIR-UHFFFAOYSA-N;143.19;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357404;MM357404;CCC=CC(N)CNC=O;GMIGGIGAWYKPKP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357405;MM357405;NCC#CC(N)C(N)CF;VZCZNFGQVJPNSE-UHFFFAOYSA-N;145.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357406;MM357406;COC=CC(C)CNC=N;PBEYVOACDCHNRH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357407;MM357407;CCC#CC(N)C(O)CC;KGFMERZNHDYESV-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357408;MM357408;COC=CC(O)CNC=O;VUHYSOIVSTUXRC-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357409;MM357409;NCC#CC(N)C(O)CN;SKYMUBWNBHZUGQ-UHFFFAOYSA-N;143.19;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357410;MM357410;C=NNCC(C)C=CCC;YDZCLGBANBKMJX-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357411;MM357411;NCC#CC(N)C(O)CF;VDNVUBGIUXMFTC-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357412;MM357412;C=NNCC(C)C=CCN;DYVXGONUVSEVGI-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357413;MM357413;NC(C#CCF)C(O)CF;NCQBJHIFUOHQNW-UHFFFAOYSA-N;149.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357414;MM357414;COC(CF)=NNC=N;FBIPJUOEDPEHIY-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357415;MM357415;NCC#CC(N)C(F)CN;WKDVXEANUQUXGB-UHFFFAOYSA-N;145.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357416;MM357416;CNN=CC(N)CNC=N;XTOZGDLMAKWVBS-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357417;MM357417;NCC#CC(N)C(F)CO;MYKXAYCCSSXFPK-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357418;MM357418;CON=CC(F)CNC=N;JGVXODPOBKAZGD-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357419;MM357419;NCC#CC(N)C(F)CF;YLNFRQBNFYOGAN-UHFFFAOYSA-N;148.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357420;MM357420;C=C(CC(C)(C)C)C(C)O;HDHQQNLSKANCMN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357421;MM357421;CCC#CC(O)C(C)CC;RSJVZWLWFSCFBA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357422;MM357422;CC(C=CCO)COC=O;ZYMZUKOWMXKNGI-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357423;MM357423;CCC(C)C(O)C#CCN;DTTDLZCVMWFVHO-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357424;MM357424;O=COCC(O)C=CCF;MRBWCOCYISPIPQ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357425;MM357425;CCC(C)C(O)C#CCO;KNYIRCHUUMQQBS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357426;MM357426;C=COCC(O)C=COC;UWZPRHIJHYSBKB-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357427;MM357427;CCC#CC(O)C(C)CN;UAUCEDAQGBGZTM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357428;MM357428;C=NOCC(O)C=CCN;XQWALYMESXNVHG-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357429;MM357429;CC(CN)C(O)C#CCF;VEBQPBNLEWPYAA-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357430;MM357430;CC(=CC(C)(C)C)C(C)O;SSRXFUSARKLISP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357431;MM357431;CCC#CC(O)C(C)CO;DWIJZQIXJHLIPO-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357432;MM357432;CC=NNC(C)(C)CC=O;SAJNQMRYSQFENF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357433;MM357433;CC(CO)C(O)C#CCN;LPAKSWWEYBZYJW-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357434;MM357434;C=NOCC(C)C=NNC;YQKROOIXIRDWKJ-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357435;MM357435;CC(CO)C(O)C#CCO;LJBZCAXUTVFMLU-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357436;MM357436;C=CCNC(C)C=CCO;GHHLQEQGBSSZJE-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357437;MM357437;CC(CO)C(O)C#CCF;OGODSGWASCNAJX-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357438;MM357438;COC=CC(C)NCC#N;SNCFYMMDZJLVDP-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357439;MM357439;CCC#CC(O)C(C)CF;LAQLJKJQJNZLCE-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357440;MM357440;CC=NOC(C)(C)C(C)=O;NZZRRNYTJMPWSF-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357441;MM357441;CC(CF)C(O)C#CCN;JMQHOWKZJPAJJM-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357442;MM357442;CC(C=CCO)OCC#N;LPADIXHQXNJLBM-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357443;MM357443;CC(CF)C(O)C#CCO;IGORYMCQXSJILS-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357444;MM357444;COC=CC(C)OCC#N;LPHCNSHMZUZCKU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357445;MM357445;CCC#CC(O)C(N)CC;JBXNVZNTBMKOAJ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357446;MM357446;C=CCOC(C)C=NNC;DLIJVRYRRYHIJZ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357447;MM357447;CCC#CC(O)C(N)CN;HOVNTPUPOKXSTR-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357448;MM357448;CC(C=CCO)ONC=O;QQMFHVWPGWHZTH-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357449;MM357449;NCC#CC(O)C(N)CN;PCKMBCYOBVSDES-UHFFFAOYSA-N;143.19;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357450;MM357450;COC=CC(C)ONC=O;UFXRXJJRBLYJQQ-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357451;MM357451;NCC(N)C(O)C#CCO;LYASZBFPCYNJQF-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357452;MM357452;CON=CC(C)ONC=N;LGURCRZMGQOIOT-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357453;MM357453;NCC(N)C(O)C#CCF;ROLIRQPDPSNAKH-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357454;MM357454;CCN=CN(C)CCC=O;BJQYPYIRWVQWIQ-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357455;MM357455;CCC#CC(O)C(N)CO;ZFKKONUCINLBPH-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357456;MM357456;CCN=CN(C)CCC#N;RSRNKXJEAKASAP-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357457;MM357457;NCC#CC(O)C(N)CO;XGYKYLYUSHJMPE-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357458;MM357458;CNN=CN(C)CCC=O;OKFODADRCDTRRT-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357459;MM357459;NC(CO)C(O)C#CCO;LICOTYQNQLQQSK-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357460;MM357460;CC(O)CCC#CC(F)F;JZCULSFAULPEGV-UHFFFAOYSA-N;148.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357461;MM357461;NC(CO)C(O)C#CCF;COLGEEGNMZWDCW-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357462;MM357462;CC(CO)CC(C)C(C)C;XUGCRCNZDFOVFB-UHFFFAOYSA-N;144.26;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357463;MM357463;NCC#CC(O)C(N)CF;ZWNYWBFZZUXZBL-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357464;MM357464;CCN=CN(C)NCC=O;QGCUWUZLWNAAAU-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357465;MM357465;CCC#CC(O)C(O)CC;VGIGTUJUMXXYET-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357466;MM357466;CC(CO)CC(C)C(C)O;XTYRJOKNCLJXJF-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357467;MM357467;CCC(O)C(O)C#CCF;ZHENALDVANJDTM-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357468;MM357468;C=CC=CC(F)CCC=O;MSZISHHQQULOKD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357469;MM357469;CCC#CC(O)C(O)CN;NXBZWORDHSGXOA-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357470;MM357470;CC(CO)CC(C)C(F)F;BBCRBLYZVATYTE-UHFFFAOYSA-N;152.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357471;MM357471;NCC#CC(O)C(O)CN;PLNLFGOZJNMPTO-UHFFFAOYSA-N;144.17;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357472;MM357472;O=CC=CC(O)CNC=O;NQGILBOBNQZRAQ-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357473;MM357473;NCC(O)C(O)C#CCO;GTCPGFNKWYCYGM-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357474;MM357474;NCC(O)C(O)C#CCF;SWZDLOTXXOXDJF-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357475;MM357475;N#CC=CC(O)CNC=O;BPRCSZWVYUMGFZ-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357476;MM357476;CCC#CC(O)C(O)CO;ROIDZMLUHWWGLG-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357477;MM357477;N=CNCC(F)C=CC=O;OHXYLHDIDROITO-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357478;MM357478;NCC#CC(O)C(O)CO;QDHCBANSSYLZBY-UHFFFAOYSA-N;145.16;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357479;MM357479;O=CC=CC(F)CNC=O;YOOXJSNNRXHBHF-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357480;MM357480;OCC#CC(O)C(O)CO;ZPGGTVXOSJCZMI-UHFFFAOYSA-N;146.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357481;MM357481;N#CC=CC(F)CNC=O;ILOYZIMLMGFIGG-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357482;MM357482;OCC(O)C(O)C#CCF;GEWROBKBCFFGOH-UHFFFAOYSA-N;148.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357483;MM357483;C=NN=CC(N)CNC=N;ICHWDXQSNQXHOW-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357484;MM357484;NCC#CC(O)C(O)CF;CMCODXJCEAAVST-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357485;MM357485;C=NN=CC(O)CNC=O;DQAYRLGPEPZSSA-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357486;MM357486;OC(C#CCF)C(O)CF;ZDPXUZZIBYYKEA-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357487;MM357487;C=NN=CC(F)CNC=O;YEIBIPNDNXCTCH-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357488;MM357488;CCC#CC(O)C(F)CC;UYLRUTWYKWKGQQ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357489;MM357489;CC(C=CC=O)COC=O;NQRFOBHJQAVQQS-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357490;MM357490;NCC#CC(O)C(F)CN;HONQGWFCRDFSPW-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357491;MM357491;C=COCC(O)C=NN=C;YJXJSXBUJBMRBQ-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357492;MM357492;NCC#CC(O)C(F)CO;AGFCMMGRNXGCPT-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357493;MM357493;C=NN=CC(O)COC=O;KENNKJCCKFNEJF-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357494;MM357494;OCC#CC(O)C(F)CO;YFGNNSMQRTZJJV-UHFFFAOYSA-N;148.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357495;MM357495;C=C(C)C(C)=CC(C)CO;DDJIGFCUGIDBQD-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357496;MM357496;OCC(F)C(O)C#CCF;NZKGUTHJYXHIMY-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357497;MM357497;C=NN=CC(C)NNC=N;MOISDNRDMUFMGY-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357498;MM357498;OCC#CC(O)C(F)CF;DOIZERSOSLSFBL-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357499;MM357499;C=NN=CC(C)NNC=O;WPORPXIGTXKUNV-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357500;MM357500;CCC#CC(F)C(C)CC;WVZXAZLBSOBOCB-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357501;MM357501;CC(C=CC=O)OCC#N;YRKLVSKXVUEWHT-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357502;MM357502;CCC#CC(F)C(C)CN;AEXABZGJQKODGU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357503;MM357503;C=NN=CC(C)OCC#N;GEPFVUMYFROHKX-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357504;MM357504;CC(CN)C(F)C#CCN;QSTCBONFPFYGTJ-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357505;MM357505;CC(C=CC=O)ONC=O;HOUBCEXSNVIFMB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357506;MM357506;CC(CN)C(F)C#CCF;ICXIXKIHBKGONX-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357507;MM357507;C=NN=CC(C)ONC=N;YUVSUVGOCXMSSG-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357508;MM357508;CCC#CC(F)C(C)CO;SXDPBFOPPLRBKY-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357509;MM357509;C=CCCN(C)C=CC=O;ZQIVWNWFIYHEAI-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357510;MM357510;CCC#CC(F)C(C)CF;MIURPDOVHDCHID-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357511;MM357511;CC(=O)C(C)=CC(C)CO;OTTRGLIQNAWEOK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357512;MM357512;CC(CF)C(F)C#CCN;KWQDXXWWQVCLBP-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357513;MM357513;NN(C=O)CC#CC(F)F;UMVUIOCEEYNNBI-UHFFFAOYSA-N;148.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357514;MM357514;CC(CF)C(F)C#CCO;FWODJTQCOLVURQ-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357515;MM357515;O=CCCN(O)C=NC=O;XPBILJCQWIANIN-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357516;MM357516;CCC#CC(F)C(N)CC;IJLOAYYJDDOCSN-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357517;MM357517;N#CCCN(O)C=NC=O;MAQLRPJQLMGUKB-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357518;MM357518;CCC(N)C(F)C#CCN;KYQISSOKJYURHY-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357519;MM357519;CCCC(C)CC(C)CO;HVRFWRROUIDGQO-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357520;MM357520;CCC(N)C(F)C#CCO;COTOFNKTNJFCCY-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357521;MM357521;CN(CCC=O)N=CC#N;DNGGSVIYDSVWNP-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357522;MM357522;CCC(N)C(F)C#CCF;WMPSHVNCLILSKC-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357523;MM357523;CN(C=NC=O)NCC#N;ZBDGWGLYIDGFGF-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357524;MM357524;NCC#CC(F)C(N)CN;SFUNCOCJJPZELJ-UHFFFAOYSA-N;145.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357525;MM357525;C#CC=CC(C)CCC=O;LYTYWYBPVLLQLK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357526;MM357526;NCC(N)C(F)C#CCO;VVMRTHNVAGHDEC-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357527;MM357527;C#CC=CC(C)CNC=N;UPKDDFYCGTUZDC-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357528;MM357528;NCC(N)C(F)C#CCF;HRJYSOKPMHNCOR-UHFFFAOYSA-N;148.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357529;MM357529;C=CCC(C)CC(C)CO;RXKIHHCNRONOOT-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357530;MM357530;NCC#CC(F)C(N)CO;IXTLHSPRGAGWES-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357531;MM357531;C#CC=CC(N)CNC=N;MUBKKBLGWCWWEA-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357532;MM357532;NCC#CC(F)C(N)CF;FBCZIMOSRSVJEF-UHFFFAOYSA-N;148.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357533;MM357533;C#CC=CC(N)CNC=O;UNSYAPAPHGOYMC-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357534;MM357534;CCC#CC(F)C(O)CC;FMPMVRHLNQFIEC-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357535;MM357535;C#CC=CC(O)COC=C;IHJUXDFCSHWODA-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357536;MM357536;NCC#CC(F)C(O)CN;DOMMBGXNLAZRPJ-UHFFFAOYSA-N;146.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357537;MM357537;C#CC=CC(O)COC=O;ONJDMQAYUHMGMG-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357538;MM357538;NCC(O)C(F)C#CCO;SOFYTACPWBAVPF-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357539;MM357539;C#CC=CC(C)OCC#N;GZWNOEAKVQJMAY-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357540;MM357540;CCC#CC(F)C(O)CO;AZVCOKVLQFRSDV-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357541;MM357541;C=NOC(=N)NC(C)C=O;XRGZNIBKVNUKED-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357542;MM357542;NCC#CC(F)C(O)CO;RHWFYSLSLFDSMD-UHFFFAOYSA-N;147.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357543;MM357543;C#CCCC(C)C=NNC;JKSGBCRVOGDUPJ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357544;MM357544;CCC#CC(F)C(O)CF;ZWWKNWCKFQDRPO-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357545;MM357545;CC=CC(C)=CC(C)CO;JCHJHNVDBCIEEZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357546;MM357546;OCC#CC(F)C(O)CF;LSERTQHYCDBXJA-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357547;MM357547;C=CC1(C#CC)CC(O)C1;JJUXUABCTUCPQN-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357548;MM357548;OC(CF)C(F)C#CCF;OWQSLXFSAPVNGX-UHFFFAOYSA-N;152.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357549;MM357549;C#CCCC(C)C=CC#N;NKBVODHMVKJBPL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357550;MM357550;CCC#CC(F)C(F)CC;UVCFLOGJIXBHDX-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357551;MM357551;C=C(CC1(C)CC1)C(C)O;IZCUZLPJVCIKSV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357552;MM357552;CCC#CC(F)C(F)CN;IWRWIRSBIZHBQE-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357553;MM357553;C#CCCN(C)C=NC=N;FGNLUUGXRGWRQB-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357554;MM357554;CCC#CC(F)C(F)CO;GKTRXBGSDWFIHY-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357555;MM357555;C#CCCN(N)C=NC=O;PMGYKEQCJLNFFQ-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357556;MM357556;OCC#CC(F)C(F)CO;TXXZQCAESSYZJL-UHFFFAOYSA-N;150.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357557;MM357557;CC1=CC(=CC#N)CC1O;SJNNYMHLNFBRIX-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357558;MM357558;CCC#CC(F)C(F)CF;JTVWROLENYEJNK-UHFFFAOYSA-N;150.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357559;MM357559;C#CCCN(N)C=NN=C;GOPUYWPWLHNEHR-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357560;MM357560;CCC#CC(C)C(C)NC;ITWRLKLKUPKKMM-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357561;MM357561;CC#CC1=CC2(O)CC1C2;JJJMNBWYFJVWPP-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357562;MM357562;CCC#CC(N)C(C)NC;VTLLKSCYNWZMGF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357563;MM357563;C#CCCN(C)N=CC=C;GKNDSFGNLRUWMW-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357564;MM357564;CCC#CC(O)C(C)NC;FNCSIRKYEHFDMN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357565;MM357565;C#CCCN(C)N=CC#N;SIFFCWQWCFYRLN-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357566;MM357566;CNC(C)C(O)C#CCN;FNAJVCGBOUSUQR-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357567;MM357567;C#CCNN(C)C=NC=O;YHEFQIUSVJVABD-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357568;MM357568;CCC#CC(C)C(C)OC;YHMBHYNIWHJUOU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357569;MM357569;C#CCON(C)C=NN=C;XZUHJWWLCZAMLC-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357570;MM357570;COC(C)C(C)C#CCN;YOQXZMSWUJJZSM-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357571;MM357571;C=C(C=CCN)CCCF;RAQWBALDQIAPDK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357572;MM357572;COC(C)C(C)C#CCO;MPVCCWQESMZGBI-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357573;MM357573;COC(C)C(C)C#CCF;YRDSRZKRVFSXBI-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357574;MM357574;CCCCC(=O)C=CCO;LWOZNXIGYPNTPU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357575;MM357575;CCC#CC(N)C(C)OC;HIRXQVOYTRSPPI-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357576;MM357576;CCC=CC(=O)CCCF;BOSFULVXTMRSRX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357577;MM357577;CCC#CC(O)C(C)OC;SHWQQIJTEHYWBL-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357578;MM357578;C=C(C=CCC)CCNC;AIUTYZZAVAHWLR-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357579;MM357579;CCC#CC(F)C(C)OC;OUWQCVFWMYAQTN-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357580;MM357580;CCC=CC(=O)CCNC;IEGLWCJFWNJBHZ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357581;MM357581;COC(C)C(F)C#CCO;MVVNIMIPVRIDRX-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357582;MM357582;CNCCC(=O)C=CCO;DCUXSZPVFDQELR-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357583;MM357583;CCC#CC(C)N(C)CC;XDUAZMXKRUQIIT-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357584;MM357584;CNC=CC(=O)CCNC;JHMYYZRWUQZULS-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357585;MM357585;CCN(C)C(C)C#CCO;SNGANNRSVFCANH-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357586;MM357586;COCCC(=O)C=CCO;GWEUCNFBZMMTDI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357587;MM357587;C=CC#CC(C)C(C)CC;KQIGUEDGNGUGGF-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357588;MM357588;CNC=CC(=O)CCOC;MBLNMYMKJIVYPH-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357589;MM357589;CCC(C)C(C)C#CC=O;NGOANCXCSARWKD-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357590;MM357590;C=C(C=NNC)CCCC;WWLUNAUFSSMXHX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357591;MM357591;CCC(C)C(C)C#CC#N;RKTWDZXDESMUDZ-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357592;MM357592;C=CC(C)(C=C)C(=C)CO;SKKSXXRFZBYNIS-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357593;MM357593;C=CC#CC(C)C(C)CN;IFDMPTLNGOCHRK-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357594;MM357594;CC1(C#N)CC(C=O)=NN1;UKHVVXMJEVDCSH-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357595;MM357595;C=C(CC(C)CO)C(C)=O;XUDHMBRIQDQJKS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357596;MM357596;C=C(C=NNC)CCOC;UZCNMIWXRFABGH-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357597;MM357597;C=C(F)C(=C)CC(C)CO;OGDUVDFGZFTVHQ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357598;MM357598;C=C(C=CCO)CNCC;NZFYWVDGGUIRNF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357599;MM357599;CC(C#CC#N)C(C)CF;GXWJKQUYIVUWTB-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357600;MM357600;CCNCC(=O)C=CCO;PTCVVNIEFYAZPF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357601;MM357601;C=CC#CC(C)C(N)CC;ZRJUTYALKNDITD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357602;MM357602;CCNCC(=O)C=CNC;OGJPHCGCEOUHIM-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357603;MM357603;C=C(C)C(O)C=C(C)CC;HGJOQHWISGRSOI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357604;MM357604;C=C(C=COC)CNCC;OYIVAXHTQKXEPW-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357605;MM357605;C=CCC(C)=CCC(C)O;CKETZGPSLDSFMH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357606;MM357606;CCOCC(=O)C=CCO;MNUXUNDIAPHEKO-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357607;MM357607;CC(C#CC=O)C(O)CO;ODTKMKBYBLCBMG-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357608;MM357608;CCC(CC)CC(C)CO;QYMAKLQBSYAKQY-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357609;MM357609;CC(C#CC=O)C(O)CF;IXVUOHWDQZEJLP-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357610;MM357610;CCC=CC(=N)NCCN;VOQSMZOJJJPEES-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357611;MM357611;C=CC#CC(C)C(F)CC;AYEPHUUTNHORGI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357612;MM357612;N=C(C=CCF)NCCN;JNJJRZGRJYYLBC-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357613;MM357613;CCC(F)C(C)C#CC=O;IUSJHYOSMYIZAX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357614;MM357614;N=C(C=CCF)NCCO;MHIBTQDLWGBMTB-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357615;MM357615;CCC(F)C(C)C#CC#N;IGFRRMVDHIKQSE-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357616;MM357616;N=C(C=CCO)NCCF;GRZSQNKOVFMTOW-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357617;MM357617;C=CC#CC(C)C(F)CF;PJMBBKPWJMPTHI-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357618;MM357618;CCC=CC(=O)NCCN;RRTJQKASOJWCDD-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357619;MM357619;CC(C#CC#N)C(F)CF;ZXMZMSUUBYSXFL-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357620;MM357620;CCCNC(=N)C=CNC;NLIDEUYJMBCDLB-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357621;MM357621;C=CC#CC(N)C(C)CC;LMBODOAXWBFHMT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357622;MM357622;COC=CC(=N)NCCN;PJUZNRHGLXUSMF-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357623;MM357623;C=CC#CC(N)C(C)CO;NZFBFMMISVGKJF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357624;MM357624;COC=CC(=O)NCCO;PUASIVWEYWEFJG-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357625;MM357625;C=CC#CC(N)C(C)CF;LFFIBSRXAUZEJV-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357626;MM357626;COC=CC(=O)NCCF;CDXGNCJXNTZFAC-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357627;MM357627;C=CC#CC(N)C(N)CN;ZMBIUPCHPGFJNZ-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357628;MM357628;CON=CC(=O)NCCO;LIURCXYRFJPIGJ-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357629;MM357629;C=CC#CC(N)C(N)CF;HSKBPXNERWYQBP-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357630;MM357630;CCC(CO)CC(C)CO;UEQSTOOLOFRXQP-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357631;MM357631;C=CC#CC(N)C(O)CN;WSPDPZZXBCICPQ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357632;MM357632;Nc1c(O)[nH]n(O)c1=O;KQFXAEVJWRJNTI-UHFFFAOYSA-N;131.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357633;MM357633;C=CC#CC(O)C(C)CC;ACCTXUUSHRNWJL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357634;MM357634;CCCOC(=O)C=CCN;MTJMLIYUUDPALP-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357635;MM357635;C=CC#CC(O)C(C)CN;NDQXOUVVJQFRDE-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357636;MM357636;CCC=CC(=O)OCCO;GZFHDDAERRBYEL-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357637;MM357637;C=CC#CC(O)C(N)CC;WRHUQCLTKQOCHU-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357638;MM357638;COC=CC(=O)OCCO;ALADGAKHQOCIEK-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357639;MM357639;C=CC#CC(O)C(N)CN;JRIHUJMNDUMOMZ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357640;MM357640;C=C(C=CCN)OCOC;JHJNPCTWWYSSQC-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357641;MM357641;C=CC#CC(O)C(N)CO;WRRPVGLWYXKRQV-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357642;MM357642;COCOC(=O)C=CCN;BTZUUQYGAHESLX-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357643;MM357643;C=CC#CC(O)C(O)CC;FBTBPILENAGWJF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357644;MM357644;C=C(C=COC)OCOC;MSFWMRBJEONLER-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357645;MM357645;C=CC#CC(O)C(O)CN;GQHJCWBSRYBASI-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357646;MM357646;CCC(CF)CC(C)CO;QCKFHRCAPYSLRM-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357647;MM357647;C=CC#CC(O)C(O)CO;UZPYTMHCIJMPGH-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357648;MM357648;CNN=CC(=O)OCCN;YRGSHTVGTSGVIV-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357649;MM357649;O=CC#CC(O)C(O)CO;ZTKNOWXTPRDOSJ-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357650;MM357650;C=C(C=CC=O)CCCC;XPKYIDWHDUUXKY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357651;MM357651;N#CC#CC(O)C(O)CO;XEWWCBLUFLGXBF-UHFFFAOYSA-N;141.13;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357652;MM357652;CC(CO)CC(CF)CF;IADXJFRSUBQWQZ-UHFFFAOYSA-N;152.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357653;MM357653;C=CC#CC(O)C(O)CF;NGWMEPRBIIBXOA-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357654;MM357654;C=CC#CC(O)C(F)CC;QTWSNQXSIQNTMX-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357655;MM357655;C=CC=CC(=O)CCCO;ACQAYXZPOLCQAM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357656;MM357656;CCC(F)C(O)C#CC#N;UXBMDVKMVZSDOL-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357657;MM357657;O=CC=CC(=O)CCCO;UYUPQCDCUAIUJU-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357658;MM357658;C=CC#CC(F)C(C)CC;GPINZQDAXDGERD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357659;MM357659;C=CC=CC(=C)CCNC;IKLIEWBOBSVGMW-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357660;MM357660;CCC(C)C(F)C#CC#N;DNKLLAYZNYSQML-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357661;MM357661;C=C(C=CC=O)CCNC;NJJVXZCUXMHAMG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357662;MM357662;CC(CO)C(F)C#CC#N;AGZZRALRUZZQIQ-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357663;MM357663;C=CC=CC(=O)CCNC;YXDOJUMOQLCJLR-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357664;MM357664;C=CC#CC(F)C(N)CC;CCLVPJFIFRPJLY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357665;MM357665;C=CC=CC(=O)CCOC;XIWGFNKCKHISEM-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357666;MM357666;C=CC#CC(F)C(O)CC;JGSPCSHJRTWDHX-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357667;MM357667;C=NN=CC(=C)CCCC;ILUXFYLXAZWECC-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357668;MM357668;CCC(O)C(F)C#CC=O;GNBSUNWBFIHAGA-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357669;MM357669;C=NN=CC(=O)CCCO;HVWCKZFNNAGUSP-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357670;MM357670;CCC(O)C(F)C#CC#N;XYNHLPWOBVTCCD-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357671;MM357671;CNN(C=O)CC(C)C=O;IOSLERMQYSJUAF-UHFFFAOYSA-N;144.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357672;MM357672;C=CC#CC(F)C(O)CF;USXCLOZALPJQRN-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357673;MM357673;C=NN=CC(=C)CCNC;UVBRTDNUEFCMDQ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357674;MM357674;C=CC#CC(F)C(F)CC;LZAZFWAUFROMGJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357675;MM357675;CCOCC(=O)C=CC=O;MJJRVJNLDJHVDW-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357676;MM357676;CCC(F)C(F)C#CC#N;FQMRCGLHISPEKS-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357677;MM357677;C=CC=CC(=N)NCCN;CIHWTEZIXDYUNP-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357678;MM357678;C=CC#CC(F)C(F)CO;WNSFGIARVSVJBP-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357679;MM357679;N#CC=CC(=N)NCCO;DSXRHNPUWBNIMR-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357680;MM357680;C=CC#CC(C)C(C)NC;ZRZPSERXFKGKQF-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357681;MM357681;CCCNC(=O)C=CC#N;DRHYUGKXUFUKAV-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357682;MM357682;CNC(C)C(C)C#CC=O;INQQBTIISFNZLF-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357683;MM357683;N#CC=CC(=O)NCCO;AYFCNLXWVXUZLI-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357684;MM357684;CNC(C)C(O)C#CC#N;UAULGHMSWXIEES-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357685;MM357685;C=NN=CC(=O)NCCN;PHYWMCKWHQQGPS-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357686;MM357686;C=CC#CC(C)C(C)OC;YPKCKBNXUAUSIU-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357687;MM357687;C=CC=CC(=N)NNCC;ZBEBARUKIWDQGX-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357688;MM357688;COC(C)C(C)C#CC=O;YNYHGIMORKITGC-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357689;MM357689;C#CC(C#C)CC(C)CO;GHADOHLMVUFHTB-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357690;MM357690;COC(C)C(C)C#CC#N;HFIBPMJQTGNLIV-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357691;MM357691;CCONC(=O)C=CC#N;NTYZYSHUIPETCV-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357692;MM357692;C=CC#CC(O)C(C)OC;UTTSXDHBEIRXFB-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357693;MM357693;Cn1c(O)nc(N)nc1=O;XSMWJRWXZWBGFQ-UHFFFAOYSA-N;142.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357694;MM357694;COC(C)C(O)C#CC#N;DHLHOWQVHPZZSR-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357695;MM357695;C=C(C=CC#N)OCCO;HGFLMSQYBFDOHG-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357696;MM357696;C=CC#CC(F)C(C)OC;IJSGOFOJVLMZGO-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357697;MM357697;CCCOC(=O)C=CC=O;UZHJZHFXGJCQFY-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357698;MM357698;COC(C)C(F)C#CC=O;CHIREGHBRYFCSI-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357699;MM357699;C=CC=CC(=O)OCCN;BBXNDFWGMQLTBQ-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357700;MM357700;COC(C)C(F)C#CC#N;CFYYOOWHBKFNAM-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357701;MM357701;C=CC=CC(=C)OCOC;XCUJWVSQKNQJIQ-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357702;MM357702;C=CC#CC(C)N(C)CC;TZXTUUPNQMVAIV-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357703;MM357703;C=C(C=CC#N)OCOC;YILRXUHMHHCMFP-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357704;MM357704;C#CC#CC(C)C(C)CC;SCLNLKHAHVXOHD-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357705;MM357705;COCOC(=O)C=CC#N;QQFGYRLVTGQSTC-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357706;MM357706;CC(=CCC(C)O)CC=O;BAXYLELPESARFN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357707;MM357707;C=NN=CC(=O)OCCC;JXHWCXRKBASMFG-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357708;MM357708;C#CC#CC(C)C(N)CN;JDHRTMIHASOUDL-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357709;MM357709;C=NN=CC(=C)OCOC;RLPCFGQZLNCRTB-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357710;MM357710;C#CC#CC(C)C(F)CC;NGNNJGDWJPNGRG-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357711;MM357711;C=NN=CC(=O)OCOC;OHMUMQSNMVSGBX-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357712;MM357712;C#CC#CC(C)C(F)CN;BATGHOXXLXGGRH-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357713;MM357713;C#CC=CC(=O)CCCO;VBJJGWCPWUESMI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357714;MM357714;C#CC#CC(C)C(F)CF;OFIFXCHFBDNDBQ-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357715;MM357715;C#CC=CC(=C)CCNC;YIQQCAFZVDNHLP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357716;MM357716;C#CC#CC(N)C(C)CC;CEEXUAOETXAPJQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357717;MM357717;C#CC=CC(=O)CCNC;KFJGLHSPDVCSNR-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357718;MM357718;C#CC#CC(N)C(C)CN;QNOYTTKSYKXOQL-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357719;MM357719;C=CC(=CC(C)CO)CC;PVMBAWFNIINKCO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357720;MM357720;C#CC#CC(N)C(C)CF;XQCWVRCUPAOGRK-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357721;MM357721;C#CC=CC(=O)NOCC;ASGKRBDHHOAGFC-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357722;MM357722;C#CC#CC(N)C(N)CN;BHYYAJBCXGMNPX-UHFFFAOYSA-N;137.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357723;MM357723;C#CC#CC(N)C(O)CN;DKUAZMVUENESHW-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357724;MM357724;C#CC=CC(=C)OCOC;FTFGETUMDFOTDS-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357725;MM357725;C#CC#CC(O)C(C)CO;NOBUMPWHUPFFOS-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357726;MM357726;C=C(C=CCC)CCC=O;SLGZPCLLVLJEPM-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357727;MM357727;C#CC#CC(O)C(N)CC;ZSCPQEPCLNVTLH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357728;MM357728;C=C(C=CCO)CCC=O;KNVMENURGWFTGU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357729;MM357729;C#CC#CC(O)C(N)CN;FWCMSWZQBOUYPV-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357730;MM357730;C=C(C=CCF)CCC=O;NCEPZFOXSDOMQM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357731;MM357731;C#CC#CC(O)C(N)CO;ZITZMLJNNDWXKU-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357732;MM357732;C=CCCC(=O)C=CCF;RSAITINZSQSOGS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357733;MM357733;C#CC#CC(O)C(O)CC;LZPFPSQNNWZEPJ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357734;MM357734;O=CCCC(=O)C=CCO;IYVNYJJQXHQANN-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357735;MM357735;C#CC#CC(O)C(O)CN;MNQAJRIEVDSINB-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357736;MM357736;CNC=CC(=O)CCC#N;MORHKLPGIGMINM-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357737;MM357737;C#CC#CC(O)C(O)CO;FISKFEGCVIXBFO-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357738;MM357738;CCC(C=O)=CC(C)CO;MIPLVOWPXISXMB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357739;MM357739;C#CC#CC(O)C(O)CF;YWVNJOWVJLPMKG-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357740;MM357740;C=C(C=CCN)CNC=N;HTVCUJXUQIVSFN-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357741;MM357741;C#CC#CC(O)C(F)CC;DICMOHJNZRHIAQ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357742;MM357742;C=C(C=CCN)CNC=O;XSEPABAJPQFJCE-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357743;MM357743;C#CC#CC(O)C(F)CO;RPPAVUBRRLDGKG-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357744;MM357744;C=C(C=COC)CNC=N;NDWMYORJQMBODD-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357745;MM357745;C#CC#CC(F)C(C)CC;CYYZFEYAAMVQLA-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357746;MM357746;C=CC(=CC(C)CO)CF;ZOWSWULAIVTUCQ-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357747;MM357747;C#CC#CC(F)C(C)CN;MTKNQNHGYZVPBU-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357748;MM357748;COC=CC(=O)CN=CN;DYEMTYSJQMFPMC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357749;MM357749;C#CC#CC(F)C(N)CC;SQEXRZJOWLFICT-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357750;MM357750;CNN=CC(=O)CN=CN;CPCBDSJNEIULCZ-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357751;MM357751;C#CC#CC(F)C(O)CC;XBQVPJLXMZJWMA-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357752;MM357752;C=COCC(=O)C=CNC;WYNOZNOZFAJGML-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357753;MM357753;C#CC#CC(F)C(O)CN;CWHWNDIVKYXHJP-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357754;MM357754;C=CCNC(=N)C=CCN;MAPSAZWMUYAACV-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357755;MM357755;C#CC#CC(F)C(F)CC;ZGNWWIKZLDEULZ-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357756;MM357756;CC(C=O)CC1(C=O)CN1;JDCOBXBZDDIFKT-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357757;MM357757;C#CC#CC(C)C(C)NC;MQLUMZIHLWXGRH-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357758;MM357758;COC=CC(=N)NCC=O;GWGHYDVTYBVPFY-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357759;MM357759;C#CC#CC(C)C(C)OC;UXUZNZXERAGUTN-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357760;MM357760;COC=CC(=O)NCC=O;LKVSQYGAMADZHH-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357761;MM357761;C#CC#CC(O)C(C)OC;JJTXEUDKOGGGRL-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357762;MM357762;COC=CC(=O)NCC#N;ZHWRQOOFMSHPNF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357763;MM357763;C#CC#CC(F)C(C)OC;CXRGAWJBIARCFH-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357764;MM357764;N=CNNC(=N)C=CCF;DAMXVWCZDOCZQG-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357765;MM357765;C=CC(C)C(C)C#CCC;QBHDOBKYKOBRLL-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357766;MM357766;N=C(C=CCF)NNC=O;SWOBALABMSBNCM-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357767;MM357767;C=CC(C)C(C)C#CCN;BVTHPKONIGNTCG-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357768;MM357768;CCC=CC(=O)NN=CN;JMNGXMLMGBEUKZ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357769;MM357769;C=CC(C)C(C)C#CCO;DWDRASPRFBZKTO-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357770;MM357770;NC=NNC(=O)C=CCN;UPNAQBZJNSEMSH-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357771;MM357771;CCC#CC(C)C(C)C=O;LWQHDANVFIURER-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357772;MM357772;NC=NNC(=O)C=CCO;VRTLATQJYYAXGE-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357773;MM357773;CCC#CC(C)C(C)C#N;HKTFDNSWGMFCOP-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357774;MM357774;CNC=CC(=O)NN=CN;GFFZHZUUNIDAHE-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357775;MM357775;CC(C#N)C(C)C#CCO;WKEPHGCPNCEJPC-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357776;MM357776;COC=CC(=O)NNC=O;WTBFVQRODQCRPY-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357777;MM357777;C=CC(N)C(C)C#CCC;QSJWSTVDVQXVAT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357778;MM357778;CNN=CC(=N)NNC=N;VBMCLYNOWBREFF-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357779;MM357779;C=CC(N)C(C)C#CCO;HMUMOOPGABHLPD-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357780;MM357780;CNN=CC(=O)NNC=O;GOIWPZRHTWRNJV-UHFFFAOYSA-N;144.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357781;MM357781;CC(=CCC(C)O)CC#N;DSCRVZHFMIIWDY-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357782;MM357782;C#CC1(CC(C)CO)CC1;IQKXJTYDYMRKRZ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357783;MM357783;C=CC(O)C(C)C#CCO;JEOVTHFNMXXRPM-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357784;MM357784;C=CCOC(=O)C=CCC;KPLGENZWPGKXQH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357785;MM357785;C#CCC(C)=CCC(C)O;GVQYTLGRLLIYDD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357786;MM357786;C=C(C=COC)OCC#N;RAGAEQWHRXLBGV-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357787;MM357787;CC(C#CCO)C(O)C=O;BTHFCCUCDDHUPS-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357788;MM357788;C#CC1(CC(=O)C=O)CN1;LMGQJMBZNXZVDC-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357789;MM357789;C=CC(F)C(C)C#CCC;HCYGOBLQHSDVIT-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357790;MM357790;CCC=CC(=O)ONC=O;SCQSEWVWORTPSW-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357791;MM357791;C=CC(F)C(C)C#CCN;LLJOZUOAXFBXKC-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357792;MM357792;CON=CC(=O)ONC=O;NJLDFDVGGORAOL-UHFFFAOYSA-N;146.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357793;MM357793;C=CC(F)C(C)C#CCF;KPTSJUHQKXZRAC-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357794;MM357794;C=CCCC(=C)C=CC=O;ZBDMDGBCJGHGPS-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357795;MM357795;CC(C#CCF)C(F)C#N;BKNNBLVOGHDKGA-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357796;MM357796;C=CC=CC(=C)CCC=O;RZBCUONGSGBREM-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357797;MM357797;C=CC(C)C(N)C#CCC;AZLQOMCJMOTHPI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357798;MM357798;C=CC(C)C(N)C#CCO;CTQRWRHXFQHUFQ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357799;MM357799;C=C(C=CC=O)CCC=O;IHTQZSKBDVZHIL-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357800;MM357800;C=C(C=CC=O)CCC#N;IRWJMUBKBDVKRO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357801;MM357801;C=CC(C)C(N)C#CCF;LEODZLJDASMKMW-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357802;MM357802;C=CC(N)C(N)C#CCN;PMHYPQDFPINYBI-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357803;MM357803;C=C(C=CC#N)CCC=O;OKOVUNSPBYHGPL-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357804;MM357804;C=CC(C)C(O)C#CCC;OYGCJZPVYMVYTH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357805;MM357805;C=CC=CC(=O)CCC=C;KOBBZBPXPUHNOY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357806;MM357806;C=CC(C)C(O)C#CCN;MNJHBNJVOSOEPF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357807;MM357807;C=CCCC(=O)C=CC=O;PUYCRNYXDURKAO-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357808;MM357808;CCC#CC(O)C(C)C=O;YLNKJODRGVSJEF-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357809;MM357809;C=CC=CC(=O)CCC=O;DBEOBHGHNXPNKT-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357810;MM357810;C=CC(N)C(O)C#CCN;MJMOWCNAMOOLME-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357811;MM357811;N#CC=CC(=O)CCC=O;XOLOOEOSVWREGA-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357812;MM357812;C=CC(N)C(O)C#CCO;KVSHVAVZYNJZRJ-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357813;MM357813;C=CCCC(=O)C=NN=C;CAJJZQCATNNAIQ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357814;MM357814;C=CC(O)C(O)C#CCC;CHKWZNHYKUUNSX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357815;MM357815;C=C(C=CC#N)CNC=N;NCZVUJSIDIAAOD-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357816;MM357816;C=CC(O)C(O)C#CCO;SLIRCLXVGUCZFY-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357817;MM357817;C=NN=CC(=C)CNC=N;MOWBIBCISAHYFQ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357818;MM357818;C=CC(O)C(O)C#CCF;WFNYYSMODFEFHM-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357819;MM357819;CCOC(C=O)ON=CN;HUMNORRTSKPKAR-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357820;MM357820;O=CC(O)C(O)C#CCO;AJEIPEBEMMABHG-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357821;MM357821;C=C(C=CC#N)COC=O;GONKFVMVEZAENR-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357822;MM357822;C=CC(F)C(O)C#CCC;ZKMWMQBOLAJJIC-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357823;MM357823;N#CC=CC(=O)COC=O;KOQHQULBQOAHEX-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357824;MM357824;C=CC(F)C(O)C#CCN;ROSXYTSCQMYLJI-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357825;MM357825;CCOC(CF)=NNC=N;CGQRKBVLMMUOPL-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357826;MM357826;C=CC(F)C(O)C#CCO;QWKWRRWNWYXENS-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357827;MM357827;C=NN(CC)CCCC=O;XQBLCRMQZGEUNS-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357828;MM357828;C=CC(F)C(O)C#CCF;VWBJYOUGOXSKJQ-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357829;MM357829;C=CC=CC(=N)NCC=O;PARINTMLDKGKCI-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357830;MM357830;CCC#CC(O)C(F)C=O;MHQGFCBKRVEVQL-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357831;MM357831;N=C(C=CC=O)NCC=O;SBJSFCZXVXLNTR-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357832;MM357832;CCC#CC(O)C(F)C#N;PPUAGLGHXSAJJR-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357833;MM357833;N#CCNC(=N)C=CC=O;GGOSVNOVOPRNSW-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357834;MM357834;N#CC(F)C(O)C#CCO;FGSSLGPHUBRSGA-UHFFFAOYSA-N;143.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357835;MM357835;CNN(C=O)CCCC=O;AMMLDQFMXBFPGX-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357836;MM357836;C=CC(C)C(F)C#CCC;VQSOLVRBUAGKNF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357837;MM357837;C=CCNC(=O)C=CC#N;AAYGQEFNECEATG-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357838;MM357838;C=CC(C)C(F)C#CCN;BHBRHMPBTQDPER-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357839;MM357839;N#CCNC(=O)C=CC=O;KHQMAUDEJRSCBQ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357840;MM357840;C=CC(C)C(F)C#CCF;AGUHYSHAUNIJHE-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357841;MM357841;N#CC=CC(=N)NNC=N;XZYILBSXENTGNY-UHFFFAOYSA-N;137.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357842;MM357842;CCC#CC(F)C(C)C#N;HPYHJPNRFWPVBD-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357843;MM357843;C=CC=CC(=N)NNC=O;MXMSCOCGUGMVKX-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357844;MM357844;CC(C#N)C(F)C#CCF;HJEIHIXJIZTTAB-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357845;MM357845;N#CC=CC(=N)NNC=O;BTHROCDSCBGZBN-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357846;MM357846;C=CC(O)C(F)C#CCN;AZIGZMRWSYCEKG-UHFFFAOYSA-N;143.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357847;MM357847;N#CC=CC(=O)NNC=N;YGFUOIXFCNOXGD-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357848;MM357848;CCC#CC(F)C(O)C=O;SHDBPFADYDHDMV-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357849;MM357849;N#CC=CC(=O)NNC=O;CDVSDXIGIWBPAI-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357850;MM357850;C=CC(F)C(F)C#CCC;REXUWLVQPNMEJY-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357851;MM357851;C=NN=CC(=N)NNC=N;BXOZJKFQWCKLJP-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357852;MM357852;C=CC(F)C(F)C#CCN;ZILLBRRYKMJBIA-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357853;MM357853;C#CC(C=O)NN=CC=C;WFHZCHLFNXSINC-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357854;MM357854;C=CC(F)C(F)C#CCO;VIYQRLXDSDHRSO-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357855;MM357855;C=NN=CC(=O)NNC=N;GDYYUFFTNZKPBZ-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357856;MM357856;CCC#CC(F)C(F)C=O;VQBAUGPETPKGLH-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357857;MM357857;C=NN=CC(=O)NNC=O;QRGWGGXLRNMODB-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357858;MM357858;CCC#CC(F)C(F)C#N;OCUORQKBSVTMOA-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357859;MM357859;C=CC=CC(=O)NOC=O;PEDYXLUVUQPCCX-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357860;MM357860;N#CC(F)C(F)C#CCO;IYHUOYVYUMKWGY-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357861;MM357861;N#CC=CC(=O)OCC#N;KFSDEEPHVCAYGS-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357862;MM357862;CCC#CC(C)N(C)C=N;IAUURHYONJMQLY-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357863;MM357863;C=NN=CC(=C)OCC#N;QVACBAWNMYPBMW-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357864;MM357864;CC(C#CCO)N(C)C=N;JIMGHXOTDWQITF-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357865;MM357865;N#CC=CC(=O)ONC=O;OCIWNMWHBIHHNA-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357866;MM357866;CC(C#CCF)N(C)C=N;YABXDCQLUMHXHX-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357867;MM357867;C#CC=CC(=C)CCC=O;JRYJGQPIZPSELI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357868;MM357868;CCC#CC(C)N(C)C=O;BMRMNGGYFWKMTF-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357869;MM357869;C#CC=CC(=O)CCC=C;BVKOAOFZRQNXMJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357870;MM357870;CCC#CC(C)N(N)C=O;KBPYDJIYYMUBQT-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357871;MM357871;C#CC=CC(=C)CNC=N;IJNZIGUYWJUCGO-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357872;MM357872;CC(=CCC(C)O)C(C)F;QWJPJTIXTALHLQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357873;MM357873;C=CC#CCC(C=C)CO;KLIXCCJWJSXCAY-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357874;MM357874;CC(C#CCF)N(N)C=O;DOCHEMDUIMJMRX-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357875;MM357875;C#CC=CC(=O)COC=O;XTFNEWKHXFFSAL-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357876;MM357876;CC(C#CCN)N(O)C=N;BWTOJTPHYJBSEH-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357877;MM357877;C#CC=CC(=N)NCC=O;UMXBMZCMUTUQPP-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357878;MM357878;C=NN(C)C(C)C#CCC;NCUZFIDHGJUUJY-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357879;MM357879;C#CC=CC(=N)NCC#N;YYKMXWJYJXQZJP-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357880;MM357880;C=CC#CC(C)C(C)C=C;LBGYXYPKJMIVOV-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357881;MM357881;C#CC=CC(=C)OCC#N;NXHJQCAWPODQBN-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357882;MM357882;C=CC(C)C(C)C#CC#N;ZJBFTINTNWEJDD-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357883;MM357883;C#CCCC(=O)C=CCO;QOHXZGXFBPGHOL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357884;MM357884;C=CC#CC(C)C(C)C=O;YYCRYIKRCUGRKR-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357885;MM357885;C#CCCC(=O)C=CNC;IHVHSSIVHNTPBL-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357886;MM357886;C=CC#CC(C)C(C)C#N;VROPKJIBLNZEEI-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357887;MM357887;C#CCCC(=O)C=COC;WOJRWCBVBZLNRA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357888;MM357888;CC(C#N)C(C)C#CC=O;KCPJKWJZCQDBNA-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357889;MM357889;C#CCNC(=O)C=NNC;VSEWCAPUMJWMKL-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357890;MM357890;CC(C#CC#N)C(C)C=O;QFYUXSWAMZPNLO-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357891;MM357891;C#CCOC(=O)C=CNC;UVAKUOPMTDHDEZ-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357892;MM357892;C=CC#CC(C)C(N)C=C;JRHCMUZFMXBXSE-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357893;MM357893;C#CCOC(=C)C=NNC;VEVDLMAYDHGOMU-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357894;MM357894;C=CC#CC(C)C(O)C#N;DACXPIASQMLCKI-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357895;MM357895;C#CCOC(=C)C=NOC;NTZDSUQNPYWTCA-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357896;MM357896;CC(C#CC#N)C(O)C=O;PDDIYKWWEKDYNW-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357897;MM357897;C#CCCC(=C)C=CC=O;LDPUHDOEIYAJGQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357898;MM357898;C=CC#CC(C)C(F)C=C;SZOBQKSXBFJBCM-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357899;MM357899;C#CCCC(=O)C=CC#N;RZVGZEAOIIGVIZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357900;MM357900;C=CC(F)C(C)C#CC=O;IXQRRRCKGRHRCN-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357901;MM357901;C#CCNC(=N)C=CC=O;FHTPODVQAYNSIK-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357902;MM357902;C=CC(F)C(C)C#CC#N;WRTMNGCXUAURCV-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357903;MM357903;CC=NN=CC(C=O)CC;LXBPURSLUQSJLR-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357904;MM357904;C#CCNC(=O)C=CC=O;QYPSGSZEMYPETH-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357905;MM357905;C=CC#CC(C)C(F)C=O;WEDGUOMRNPSDMK-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357906;MM357906;CC=CCC(N)C=CCN;GAOREOFVTMYCSG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357907;MM357907;C=CC#CC(C)C(F)C#N;XZRGOTGZMZLXHS-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357908;MM357908;CC=CCC(N)C=CCO;YZMGIYGRCAXKGV-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357909;MM357909;CC(C#CC#N)C(F)C#N;MBKASYWQAWQPKY-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357910;MM357910;CC=CCC(O)C=CCN;TXTHCBGDIBTVCS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357911;MM357911;C=CC#CC(O)C(C)C=C;DJSDDILQSAAYHB-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357912;MM357912;CC(C=CCO)CC=NO;STQRLIFLBGODRR-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357913;MM357913;C=CC(C)C(O)C#CC#N;BSNXKWUFOLIROO-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357914;MM357914;NCC=CC(N)CC=NO;QJRCGFCAMNOCQT-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357915;MM357915;C=CC#CC(O)C(C)C=O;FWDUZSZKJORMAL-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357916;MM357916;CCC=CC(O)CC=NO;GPENEZWQZSPCPY-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357917;MM357917;CC(C#N)C(O)C#CC#N;GAWGFIXCZMDBHU-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357918;MM357918;NCC=CC(O)CC=NO;FXIMZCFYXNTLIY-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357919;MM357919;C=CC#CC(O)C(O)C=C;KGQAJJITXNXOOF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357920;MM357920;NCC=CC(F)CC=NO;MNMMNZPHIGALEY-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357921;MM357921;C=CC#CC(O)C(O)C=O;GKZKGHODHVZJFP-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357922;MM357922;COC=CC(O)CC=NO;IBKHKBWNBVHZNF-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357923;MM357923;N#CC#CC(O)C(O)C=O;AGDJKBJGEDDVRL-UHFFFAOYSA-N;139.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357924;MM357924;CC=CCC(C)C=NNC;JIDCWZOHHCYBEA-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357925;MM357925;N#CC#CC(O)C(O)C#N;LDDUVEHBFVJVQG-UHFFFAOYSA-N;136.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357926;MM357926;CNN=CC(C)CC=CF;OAVLFOVEPDUNTO-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357927;MM357927;C=CC#CC(O)C(F)C=C;DMMBOFTWSRFVNP-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357928;MM357928;CCC1CC1CC(C)CO;MQRYGQNUSCKQKM-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357929;MM357929;C=CC#CC(O)C(F)C#N;JZPHRNUFMWXJDI-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357930;MM357930;CC=CCC(F)C=NNC;FNUWJXKTNABIJX-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357931;MM357931;C=CC#CC(F)C(C)C=C;GVBMHJKPSLQXQE-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357932;MM357932;C=CC1CC1CC(C)CO;BLDIBRHHUIWUHH-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357933;MM357933;C=CC(C)C(F)C#CC#N;WCTGURJYZIDXOW-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357934;MM357934;CNN=CC(C)CC=NN;LCZCEGWLSZEKLQ-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357935;MM357935;C=CC#CC(F)C(C)C=O;QCNUWRVWMMPDOM-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357936;MM357936;CON=CC(C)CC=NN;AVSNPGFWEFXUKS-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357937;MM357937;C=CC#CC(F)C(C)C#N;ICJNVBNCTKSUPS-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357938;MM357938;CC(C=CCO)N=CNN;JDANRUIPQLVUPB-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357939;MM357939;CC(C=O)C(F)C#CC=O;PMKAGTWRIDFEKK-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357940;MM357940;CNC=NC(C)C=COC;WBRWWBSLIFFSEB-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357941;MM357941;CC(C=O)C(F)C#CC#N;YOMALJDCJHJDBZ-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357942;MM357942;CNC=NC(C)C=NNC;IKVLPJSMIHPCHX-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357943;MM357943;C=CC#CC(F)C(O)C=C;DCPZLULZDUFITN-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357944;MM357944;C#CC1CC1CC(C)CO;OFQRIFAWBPLXAI-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357945;MM357945;C=CC(O)C(F)C#CC#N;ZWAFEKXTYBXOSY-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357946;MM357946;CC=NNC(C)C=NOC;XQXZVFJZXMRXJH-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357947;MM357947;C=CC#CC(F)C(F)C=C;SCGYCHONETZDNG-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357948;MM357948;CC(C=CCO)OC=CF;IFCCHANZLULDLH-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357949;MM357949;C=CC(F)C(F)C#CC=O;UUVMPBOBUZIPEC-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357950;MM357950;C#CC=C1CC=C(C)C1O;AXEGEMIFUFPEEL-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357951;MM357951;C=CC#CC(F)C(F)C=O;YZJKXNGFKGJXGQ-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357952;MM357952;COC=CC(C)OC=NO;HPDQNHHWSZIZMX-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357953;MM357953;C=CC#CC(F)C(F)C#N;OACNMBYNFKJAQQ-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357954;MM357954;CNN=CC(C)OC=NO;BOXIQEKKHYBRJP-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357955;MM357955;N#CC(F)C(F)C#CC=O;ARYZANXGQYNICB-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357956;MM357956;CC=NOC(C)C=NNC;JNOXZGYFXXGYBF-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357957;MM357957;CCC1=NOC(C=O)CC1;CQECCSWQSZCVGV-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357958;MM357958;C=CC#CC(C)N(C)C=N;WLWHPIDZXZIOGR-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357959;MM357959;CON=CN(N)CC=CF;RPJKYQJUMJIIEE-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357960;MM357960;C=CC#CC(C)N(C)C=O;ZESOCPFOYMNZKJ-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357961;MM357961;CC1CC(O)C1;BIAAEVYMOVFZDJ-UHFFFAOYSA-N;86.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357962;MM357962;CC(C#CC#N)N(C)C=O;ITWLIYBARQTWOX-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357963;MM357963;Nc1cn(N)nn1;HUUBMTMJIQHAEN-UHFFFAOYSA-N;99.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357964;MM357964;C=NN(C)C(C)C#CC#N;YLSJVAIOOUJWKM-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357965;MM357965;C#CC1(C)CC(O)C1;JVPDZIAPBJEQSW-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357966;MM357966;C#CC#CC(C)C(C)C=C;WMFHKWDJVKJNKY-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357967;MM357967;C#CC(=C)C(C)CO;NJBMYQDVHNNHAM-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357968;MM357968;C#CC#CC(C)C(C)C=O;GSHPCQLIHJARJS-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357969;MM357969;CNN=CN(O)CC=NO;OZKBTUFKGUYSOU-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357970;MM357970;C#CC#CC(C)C(C)C#N;HHOYYWHPOFWOEO-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357971;MM357971;NN=C1C=C(F)CC1;DEEAQHXUPLCDGI-UHFFFAOYSA-N;114.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357972;MM357972;C#CC#CC(C)C(N)C=C;MLWQZMQJBCVTJV-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357973;MM357973;CON=CN(O)CC=NO;YKOQCNKDTYOCRW-UHFFFAOYSA-N;147.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357974;MM357974;C=C(C=CF)CC(C)CO;QQPYCLSBEYCHCQ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357975;MM357975;CC(C)(O)C=CCC#N;GXSBCYJGNKIEGP-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357976;MM357976;C#CC#CC(C)C(O)C=O;DUWNTTKZIIVGCH-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357977;MM357977;CC1(F)CC(=O)N(N)C1;QSRGZASQEJYEAR-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357978;MM357978;C#CC#CC(C)C(O)C#N;JJCBNRXYQFVAAT-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357979;MM357979;CCC=NN(C)CC=NN;KHSUMYIPZCXTSU-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357980;MM357980;C#CC#CC(C)C(F)C=C;MXVQVWWSOOCIKV-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357981;MM357981;C#CC(C)(C=C)CCO;QJUMJSPDFJGXMZ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357982;MM357982;C#CC#CC(C)C(F)C=O;MPPRPXITZXTVGB-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357983;MM357983;CN(CC=NO)N=CCF;WLYJDZUOXHCFIR-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357984;MM357984;C#CC#CC(N)C(C)C=C;UHBHONUOBPTJDA-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357985;MM357985;C=NN(C)CC(C)C=O;FUGUGGUFBQIBJC-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357986;MM357986;C#CC#CC(O)C(O)C=O;LNTSKIVOEHCQRB-UHFFFAOYSA-N;138.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357987;MM357987;CC(C=CC=O)CC=CF;ZTOLOSZBQUGXFP-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357988;MM357988;C#CC#CC(O)C(F)C=C;XXSBEMWKHPQVRD-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357989;MM357989;C=CC=CC(N)CC=CF;WMVIWNVOHJKDQC-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357990;MM357990;C#CC#CC(O)C(F)C#N;FXHFXYHWGAKWQS-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357991;MM357991;CC=CCC(F)C=CC=O;YXBAEPNGFDQETI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357992;MM357992;C#CC#CC(F)C(C)C=C;NGOQHUKUONSUSS-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357993;MM357993;O=CC=CC(F)CC=CF;PRRRQZRVLPOFKJ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357994;MM357994;C#CC#CC(F)C(C)C=O;VJMORQZWBMUTBQ-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357995;MM357995;C=CC=CC(O)CC=NO;GDJSOXKABNEGLA-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357996;MM357996;C#CC#CC(F)C(C)C#N;GNTOWWUBLDDJDA-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357997;MM357997;O=CC=CC(O)CC=NO;CLCBYGAGEYJXEY-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357998;MM357998;C#CC#CC(F)C(O)C=C;IAIBSTJMMTVXHU-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM357999;MM357999;C=NN=CC(C)CC=CF;BVZAZCJKLCXRIS-UHFFFAOYSA-N;142.18;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358000;MM358000;C#CC#CC(F)C(O)C=O;WLTDJOAJIKZKJY-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358001;MM358001;C=NN=CC(C)CC=NN;KZPPNMFYFALAAC-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358002;MM358002;C#CC#CC(F)C(F)C=C;XMZJVPZRBAFVKO-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358003;MM358003;C=CC=CC(C)NN=CC;KQSUWQYHGMAAOG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358004;MM358004;C#CC#CC(F)C(F)C#N;IBQOOMPKYMKATQ-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358005;MM358005;C=NN=CC(C)NN=CC;BPJSAUWDTCEEAW-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358006;MM358006;C#CC#CC(C)N(C)C=N;AMVSCZDGGUYRQG-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358007;MM358007;CC=COC(C)C=CC=O;ZZYIJLHALFHXGS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358008;MM358008;C#CC#CC(C)N(C)C=O;LRMKSZNMJWPFAJ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358009;MM358009;CC=COC(C)C=CC#N;RHEYBKFRIMONDJ-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358010;MM358010;C#CC(C)C(C)C#CCC;CZPPUGOWJDLAKU-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358011;MM358011;CC=NOC(C)C=CC#N;QSISSYCATCKFSV-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358012;MM358012;C#CC(C)C(C)C#CCN;YMUKLWVUWPQODO-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358013;MM358013;N=CN=CN(N)CC=NN;UVFYAVBFCDZHMN-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358014;MM358014;C#CC(N)C(C)C#CCC;LMFLJDBUTKVDAB-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358015;MM358015;CC(C=O)C1(C)CN1C;GKENLKDRYYXURM-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358016;MM358016;C#CC(O)C(C)C#CCO;GLAWADIFLDYESD-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358017;MM358017;C=NN(C)CCCC=O;JXUPSXUMHOLNPJ-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358018;MM358018;C#CC(C)C(N)C#CCC;PYKAXNXSAMHKQP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358019;MM358019;N=CN=CN(O)CC=NO;NFZBDYKBETXRSS-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358020;MM358020;C#CC(N)C(N)C#CCN;RRXVUDDFRPMVGA-UHFFFAOYSA-N;137.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358021;MM358021;O=CN=CN(O)CC=NO;CXXQHIYSYUHZKA-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358022;MM358022;C#CC(O)C(N)C#CCN;ZLKVPCHJXCEZCD-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358023;MM358023;C=NN=CN(N)CC=NN;YHDZYPYXOQIMAG-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358024;MM358024;C#CC(C)C(O)C#CCC;NNKPUAJMBSWJLL-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358025;MM358025;C=C(C)C1(CCO)CC1;HNHGZGOCFJBHIY-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358026;MM358026;C#CC(C)C(O)C#CCO;CCGSHOKWGXIAEG-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358027;MM358027;C=CC=NN(C)CC=CF;SQNMYSRWUFGTRG-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358028;MM358028;C#CC(C)C(O)C#CCF;IXEZLLWGOYHJJN-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358029;MM358029;CN(CC=CF)N=CC#N;JDOBWCCNRBHSAQ-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358030;MM358030;C#CC(N)C(O)C#CCN;QBASLVDLOZVCHD-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358031;MM358031;C=CC=NN(C)CC=NN;JCRAPEIDBKLUAM-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358032;MM358032;C#CC(O)C(O)C#CCN;JKZRTAVNFZTHKQ-UHFFFAOYSA-N;139.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358033;MM358033;CCn1nc(C)c(N)n1;BUGRENROPBSNKD-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358034;MM358034;C#CC(O)C(O)C#CCO;OWLDQYWFTVRFCJ-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358035;MM358035;NN1CC=C(F)CC1=O;YAPNXQQNCIMCFV-UHFFFAOYSA-N;130.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358036;MM358036;C#CC(O)C(O)C#CCF;MECOBHGIONCUAF-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358037;MM358037;C#CC(F)C(O)C#CCC;HGOOQCZUMLFIAP-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358038;MM358038;N#CC1=CNC(=N)C1=O;MIWDKJJQRGKDCD-UHFFFAOYSA-N;121.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358039;MM358039;C#CC(F)C(O)C#CCO;NQZOJHUSSYORGU-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358040;MM358040;C=CC(O)CCC(C)(C)C;LTMMNLIOOWISOF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358041;MM358041;C#CC(C)C(F)C#CCC;WJPPJFBOYUYTOB-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358042;MM358042;CCC(O)C=CC(C)(C)C;WIYSFGXNSBFRQN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358043;MM358043;C#CC(C)C(F)C#CCN;AGBVJAZNUMMIOQ-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358044;MM358044;CN(C=NC=N)OC=NO;KIGLJPACJCVXCZ-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358045;MM358045;C#CC(C)C(F)C#CCO;DLLCHVPBICYJHM-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358046;MM358046;C#CC=CC(C)CC=CC;OFCMAGPGZCHDNE-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358047;MM358047;C#CC(O)C(F)C#CCC;BBOUEMWPQUFQGX-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358048;MM358048;C#CC=CC(C)N=CNN;VHFGWNCOQLHCEP-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358049;MM358049;C#CC(O)C(F)C#CCO;POVFBEFKBVTUST-UHFFFAOYSA-N;142.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358050;MM358050;C#CC=CC(C)NN=CC;ZJSVAYSHGIKAQI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358051;MM358051;C#CC(F)C(F)C#CCN;GYJVUYMOBLBLTJ-UHFFFAOYSA-N;143.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358052;MM358052;CC=NN=C(N)CC(C)=O;CSRLDUAJRFUSNX-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358053;MM358053;C#CC(F)C(F)C#CCO;RFDRWVFADKWGOQ-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358054;MM358054;C#CC=CC(C)OC=NO;KQGVDVXSXCYXIW-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358055;MM358055;C#CC(C)C(C)C#CC=C;OLECYXWTTUZBSK-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358056;MM358056;C#CC=NN(C)CC=CF;UTHIPHLZXXFTFA-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358057;MM358057;C#CC(C)C(C)C#CC=O;HSOBWGLDQQFDKW-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358058;MM358058;CCC=CC(=O)CC=NO;ZYYWGGKMGVEGNJ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358059;MM358059;C#CC(C)C(C)C#CC#N;AMYZTNSSWTXIDJ-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358060;MM358060;CC=CNC(=N)C=CCN;NDEUDIFFUPLFPQ-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358061;MM358061;C#CC(N)C(C)C#CC=C;XXRFIBKINMNTGH-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358062;MM358062;N=C(C=CCN)NC=CF;JTTBFSGOZCVMMU-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358063;MM358063;C#CC(O)C(C)C#CC=C;OGLJXGDXCBHKQB-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358064;MM358064;N=C(C=CCF)NC=CF;PICKZXPNQWKTCM-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358065;MM358065;C#CC(O)C(C)C#CC=O;ZTMOLEQOAJJMJV-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358066;MM358066;CC=CNC(=O)C=CCF;OOKYGFJJVUWKSA-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358067;MM358067;C#CC(F)C(C)C#CC=C;WHABQWFBNABTAK-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358068;MM358068;CC=CNC(=N)C=CNC;JYGULJKADZQLMO-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358069;MM358069;C#CC(C)C(N)C#CC=C;GYGHXIMMKDHBQJ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358070;MM358070;CN=CNC(=N)C=CCN;ZGWVGLIPZFKSBZ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358071;MM358071;C#CC(C)C(O)C#CC=C;WMQZOWIEYTVBMT-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358072;MM358072;CC(=O)CNN=C(N)CF;LIQMJRHVQLPWRX-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358073;MM358073;C#CC(C)C(O)C#CC#N;FNKQIQTVGYTAIT-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358074;MM358074;CCC=CC(=O)NC=NO;HZBRCMMCDRCTHW-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358075;MM358075;C#CC(F)C(O)C#CC=C;FBXQSLJZQGXADP-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358076;MM358076;C=C(C=COC)N=CNN;ZRHPFPRLGCHFTB-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358077;MM358077;C#CC(C)C(F)C#CC=C;UWLZROVIVMNSQJ-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358078;MM358078;COC=CC(=O)NC=NO;PQDNCYPILBDGSZ-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358079;MM358079;C#CC(C)C(F)C#CC=O;PEWPBVWVBXTTLL-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358080;MM358080;CON=CC(=N)NC=CF;FCRVNRUXAAIFBN-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358081;MM358081;C#CC(C)C(F)C#CC#N;NNWHWOCYLQWIGP-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358082;MM358082;C=C(C=NNC)N=CNC;DYKCAOKOSPDMKM-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358083;MM358083;C#CC(O)C(F)C#CC=C;WGRALAWFNYJVQP-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358084;MM358084;CN=CNC(=O)C=NNC;VTQNGZBKIYJLDP-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358085;MM358085;C#CC(F)C(F)C#CC=C;UNKFVMMTKSLNAC-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358086;MM358086;CNN=CC(=O)NC=NN;LSBLBGOXOCDWOY-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358087;MM358087;C#CC#CC(C)C(C)C#C;UMHUWAUVGOSWNQ-UHFFFAOYSA-N;130.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358088;MM358088;CNN=CC(=O)NC=NO;YPSWNOJEBKPQLY-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358089;MM358089;C#CC#CC(C)C(N)C#C;CAVWRDKQDQOJOD-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358090;MM358090;CC=COC(=O)C=CCN;AFBWXRJXOSRBLZ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358091;MM358091;C#CC#CC(C)C(O)C#C;MKNFOMGXVTYDRC-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358092;MM358092;CC=COC(=O)C=CCO;DKSPPKWNEVNHQS-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358093;MM358093;C#CC#CC(C)C(F)C#C;AYNRTYKYKKZSIG-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358094;MM358094;CC=COC(=O)C=COC;HDMNDVIECVMTPR-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358095;MM358095;C#CC#CC(N)C(C)C#C;PAVJMESMTUHGEN-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358096;MM358096;C=CC(O)CC(C)CC#N;UPJATJKLTPCFOM-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358097;MM358097;C#CC#CC(O)C(C)C#C;OWDWRYLYSBXSKM-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358098;MM358098;C=C(C=CCO)OC=NO;DDIFPJPCHFITIR-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358099;MM358099;C#CC#CC(O)C(F)C#C;AEDHUXNXAOYUSK-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358100;MM358100;CC#CC(C)CC(C)CO;OOHMUWVKFMGZBN-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358101;MM358101;C#CC#CC(F)C(C)C#C;HMUHQNBDTRKFSR-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358102;MM358102;C=C(C=COC)OC=NO;MVNCAZSROQJKTN-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358103;MM358103;C#CC#CC(F)C(F)C#C;LTFVDUZWPNJCPF-UHFFFAOYSA-N;138.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358104;MM358104;C=C(C=NNC)OC=CC;DHAYMSLWAZJSOA-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358105;MM358105;C=C(CC)C(C)C#CCC;UVQCUJFVCHNCOP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358106;MM358106;CCC(O)C=C(C)CC#N;RSSCBWDZFLISOK-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358107;MM358107;C=C(CC)C(C)C#CCN;WPOYLLVLSHXABH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358108;MM358108;CC=COC(=O)C=NOC;OHRNYLNBVCRBLS-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358109;MM358109;C=C(CC)C(C)C#CCO;WMCZXQSJJGSASP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358110;MM358110;CON=CC(=O)OC=NO;GJYPPWHGLNPHCD-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358111;MM358111;C=C(CN)C(C)C#CCC;NBTAWAZHJWMNGC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358112;MM358112;CC=NOC(=O)C=CCC;UMFNYMLIFAHKAS-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358113;MM358113;C=C(CO)C(C)C#CCC;XWTUXSVIZAOSIA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358114;MM358114;C#CC1(C(=C)C)CC(O)C1;QBZWGPNPTUVUEQ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358115;MM358115;C=C(CO)C(C)C#CCF;UDVFAPRAQARPDO-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358116;MM358116;CC=NOC(=O)C=COC;MNNKBEAGFGSKNO-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358117;MM358117;C=C(CF)C(C)C#CCC;LYKGAIUMZVVUBY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358118;MM358118;C=C(C=CC=O)CC=CC;JHGBLQAVWXTNQN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358119;MM358119;C=C(CF)C(C)C#CCF;JIYUUYKQGACYFZ-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358120;MM358120;C=CC=CC(=O)CC=CC;WMQHWTWMIJJUGF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358121;MM358121;CCC#CC(C)C(=O)CC;JXIDOGRXJDUKJB-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358122;MM358122;CCC(=O)C(C)C#CCO;PMRLMQSSBQCZEP-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358123;MM358123;CC=CCC(=O)C=CC#N;FPEJHBNJSTZDFW-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358124;MM358124;CCC#CC(C)C(=O)CO;TUVIPKKHQOWXHX-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358125;MM358125;C=CC=CC(=O)CC=CF;WCNXWZYATSHRHI-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358126;MM358126;CC(C#CCF)C(=O)CO;REJGLGWMVZCQSR-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358127;MM358127;N#CC=CC(=O)CC=CF;MKKXGVHDDGOIOV-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358128;MM358128;CCC#CC(C)C(=O)CF;YEQQMRNDCKGUHX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358129;MM358129;N#CC=CC(=O)CC=NO;QEVUFHPIMGMIMD-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358130;MM358130;C=C(CC)C(N)C#CCC;DDUJQKQVARTIKI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358131;MM358131;C=NN=CC(=C)CC=CC;VSNBVCWBNJCBQH-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358132;MM358132;C=C(CC)C(N)C#CCF;ZCKYYCIMWAXCOG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358133;MM358133;C=NN=CC(=O)CC=CF;XHOQASLSUSRNSL-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358134;MM358134;C=C(CN)C(N)C#CCN;QSSSYZZPRRNWCJ-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358135;MM358135;C=NN=CC(=C)CC=NN;PDBILPZHJYXBIK-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358136;MM358136;C=C(CN)C(N)C#CCO;VKBPGRFDROCSCV-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358137;MM358137;C=NN=CC(=O)CC=NO;WZXKSIAXQBBAOK-UHFFFAOYSA-N;141.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358138;MM358138;C=C(CF)C(N)C#CCC;FERDQKIYEMGOIZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358139;MM358139;C=CC=CC(=N)NC=NN;ZWVBJAGFQSMFLE-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358140;MM358140;C=C(CF)C(N)C#CCN;ICENTPGQGAUHKU-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358141;MM358141;NC(C=CC=O)=NC=NO;XSMGXSDIDYUPQQ-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358142;MM358142;C=C(CC)C(O)C#CCC;AWTHTYUZNZNUMQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358143;MM358143;N#CC=CC(=O)NC=NO;CVJBKDHUUKPVQR-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358144;MM358144;C=C(CC)C(O)C#CCN;ZUKSJIVFEFVQMW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358145;MM358145;CC=CC(O)CCCC#N;PIFTYNDVIRTHCM-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358146;MM358146;CCCC(O)C=CCC#N;SZSCTWGMTJVYLG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358147;MM358147;C=C(CC)C(O)C#CCF;BECXWQCYPLKDIF-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358148;MM358148;CC=NNC(=O)C=CC#N;FVSNKGZBDSXTPV-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358149;MM358149;C=C(CN)C(O)C#CCN;WXZSGGSVUZWANS-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358150;MM358150;C=C(C)C(=O)CC=NOC;QXEZYSODJFRGMF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358151;MM358151;C=C(CN)C(O)C#CCO;QLFUZOHWMINVES-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358152;MM358152;C=NN=CC(=O)NN=CC;IVEXCJONNYTXRL-UHFFFAOYSA-N;140.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358153;MM358153;C=C(CN)C(O)C#CCF;WGNNREVSODOZOZ-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358154;MM358154;C=C(C=CC#N)OC=CC;BXEFNUVOYIGKSF-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358155;MM358155;C=C(CO)C(O)C#CCN;BISFSMNYQBKSNR-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358156;MM358156;C=C(C=CC#N)OC=NO;CXJXGFUPVMORMP-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358157;MM358157;C=C(CO)C(O)C#CCO;YZJVMKAQXQCCLV-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358158;MM358158;C=NN=CC(=O)OC=CC;VMHYEYNEFYUKHU-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358159;MM358159;C=C(CF)C(O)C#CCC;JNUXRRNARDABKO-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358160;MM358160;C=C(C)C(CC=O)=NOC;FMWWVRNYKKBSLI-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358161;MM358161;C=C(CF)C(O)C#CCO;JTBICODVRCSODC-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358162;MM358162;C=NN=CC(=C)OC=NO;MZHURVFCDTTXEW-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358163;MM358163;C=C(CF)C(O)C#CCF;DAAHEFRZMZTGBU-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358164;MM358164;C=CC(O)(C=C)C=CCC;VSSLTVASCQTSQD-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358165;MM358165;CCC#CC(O)C(=O)CC;ZITRJNJBLGEXNI-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358166;MM358166;CC=NOC(=O)C=CC=O;NFUHUHNVVLGCPR-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358167;MM358167;CCC(=O)C(O)C#CCO;YCLJRLLOVIIQAQ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358168;MM358168;CC=NOC(=O)C=CC#N;LXDMJCBQFOXXJB-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358169;MM358169;CCC#CC(O)C(=O)CO;DFSBKWQPDFNTLU-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358170;MM358170;C=NN=CC(=O)ON=CC;PGBAGLYYJUSITL-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358171;MM358171;O=C(CO)C(O)C#CCO;ANZUMRSNADEUAZ-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358172;MM358172;C#CC=CC(=O)CC=NO;MAZYUBKMYJDAIL-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358173;MM358173;CCC#CC(O)C(=O)CF;AWIGZOYDMSDOOM-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358174;MM358174;C#CC=CC(=N)NC=NC;QHMLJNJUFNPZJY-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358175;MM358175;C=C(CC)C(F)C#CCC;DYAIULAXSYPSSZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358176;MM358176;CC(C=O)ON=C(N)CF;POVLRCPPRFTQPM-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358177;MM358177;C=C(CC)C(F)C#CCN;WBRAYPGUSFIIAX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358178;MM358178;C=CC(O)CCC1(C)CC1;VTFZEVQIWAKHMZ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358179;MM358179;C=C(CC)C(F)C#CCF;YDWVGANMPIFDCJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358180;MM358180;C=C(CN)C(F)C#CCC;XGBKYCJQNVFZMJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358181;MM358181;C#CC=CC(=O)ON=CC;KBRXYFGMGGBLDX-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358182;MM358182;C=C(CO)C(F)C#CCC;VQRNQWQMZDRHMA-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358183;MM358183;C#CC(=CC)CC(O)C=C;QOKXGZNRNLQFNI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358184;MM358184;C=C(CO)C(F)C#CCN;SNPLKPWPLKYZDY-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358185;MM358185;CCC#CC(F)C(=N)NN;XJZMXNOANWBKOD-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358186;MM358186;C=C(CO)C(F)C#CCF;CWCPTODJLGDOPH-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358187;MM358187;CC#CCNN=C(N)C=O;AUOJSPXULNLBLZ-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358188;MM358188;C=C(CF)C(F)C#CCC;FRZVEFHUXZROPO-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358189;MM358189;CC#CCN(N)C=NOC;TYRLBDJHYDXPLA-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358190;MM358190;C=C(CF)C(F)C#CCN;ZTBUNCUGUROPQO-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358191;MM358191;C=CC(O)CCC#CCC;WQSJFISTGHPIIF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358192;MM358192;C=C(CF)C(F)C#CCO;SMNKCNVQEOHGKR-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358193;MM358193;C=NOC(C#CCC)OC;COXWQXIXFYCXMM-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358194;MM358194;CCC#CC(F)C(=O)CC;OZJDGHUEBYZHOE-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358195;MM358195;CC#CCN(C)N=COC;RZUSUVPQPSBXMC-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358196;MM358196;CCC(=O)C(F)C#CCF;OYCYPWFYATZACQ-UHFFFAOYSA-N;146.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358197;MM358197;CC#CCC(O)C=CC=O;LRJYJPBODPCGMN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358198;MM358198;O=C(CO)C(F)C#CCF;XKEFSXFBNUFRPT-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358199;MM358199;CC#CCN(N)C=NC=N;PUXASFUSNLUOFT-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358200;MM358200;O=C(CF)C(F)C#CCO;OXBMWLJWTXGBJU-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358201;MM358201;CC#CCN(N)C=NC=O;YRQXCJKKADNWKZ-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358202;MM358202;CCC#CC(C)C(=N)NC;UBUIMMHMAKZHGA-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358203;MM358203;C=NOC(C#CCC)C=O;APJUWEZKRJQPFU-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358204;MM358204;CNC(=N)C(C)C#CCN;KXECGTZNOKWIPZ-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358205;MM358205;C=NN=CN(O)CC#CC;YJXUWHATDUYXNR-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358206;MM358206;CNC(=N)C(C)C#CCO;NVKDBAUWDLLMBQ-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358207;MM358207;C#CC=CC(C)CC#CC;HWHRFMUMGBZUFN-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358208;MM358208;CNC(=N)C(C)C#CCF;GWMAJQVFMXQZMQ-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358209;MM358209;C#CC=CC(O)CC#CC;OATCWBMINUKBNL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358210;MM358210;CCC#CC(C)C(=N)NN;ZVPUKYDXRPMMFC-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358211;MM358211;CCC#CC(C)CCCC;QUJZBSMLJDUESG-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358212;MM358212;CC(C#CCO)C(=N)NN;CDQJQNPVJFDPFH-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358213;MM358213;CCC#CC(C)CCCN;OACSGPRLBFBIOF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358214;MM358214;CC(C#CCF)C(=N)NN;HACZJYXKPYXQSQ-UHFFFAOYSA-N;143.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358215;MM358215;CC(C#CCN)CCCN;WCBXEIXKPGISLW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358216;MM358216;CC(C#CCN)C(=N)NO;RNDDXBUZSMPHIV-UHFFFAOYSA-N;141.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358217;MM358217;CC(C#CCO)CCCN;PKNZUKXCXNASLY-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358218;MM358218;CCC#CC(C)C(=O)NO;LLKKPHNAUWFJHK-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358219;MM358219;CC(C#CCN)CCCO;CDAJHCFHQGNXJF-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358220;MM358220;CNC(=N)C(N)C#CCO;WUWYTCCOSSLHAU-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358221;MM358221;CC(C#CCO)CCCO;WVTGEVZZLCGJDE-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358222;MM358222;CNC(=N)C(N)C#CCF;VDFBAIZJEZOMAE-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358223;MM358223;CCCCC(N)C#CCN;LMNIZNUBKBTFFN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358224;MM358224;NCC#CC(N)CCCF;MKVGRFGDPPITNU-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358225;MM358225;N=C(NO)C(N)C#CCN;AVMDTEYQUIAHBS-UHFFFAOYSA-N;142.16;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358226;MM358226;NC(C#CCO)CCCF;XDOVUMDMOGRVEX-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358227;MM358227;CNC(=O)C(N)C#CCN;UQWQKYYGCQWJIX-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358228;MM358228;NC(C#CCF)CCCF;MNGCOGCRCQCVNF-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358229;MM358229;CNC(=N)C(O)C#CCN;LMRRVPMSHMUUFC-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358230;MM358230;OCCCC(O)C#CCF;LDXJADZGUPJSJD-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358231;MM358231;CNC(=N)C(O)C#CCO;WMQGRWQAWGGDFE-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358232;MM358232;OCC#CC(O)CCCF;UIOAEIBMFJHVRG-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358233;MM358233;CCC#CC(O)C(=O)NC;DZYPCZIXEMUFQU-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358234;MM358234;CCCCC(F)C#CCN;FCUJLEXXRNMWGG-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358235;MM358235;CCC#CC(O)C(=O)NN;ZHNOTOSONDHWCY-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358236;MM358236;NCC#CC(F)CCCN;BOTGRZMQGSVHQT-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358237;MM358237;NNC(=O)C(O)C#CCO;WTCGZZITVUFITB-UHFFFAOYSA-N;144.13;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358238;MM358238;NCCCC(F)C#CCO;URROMAYMRPEVEW-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358239;MM358239;CCC#CC(O)C(=O)NO;KHNTVRAORSCTIW-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358240;MM358240;NCC#CC(F)CCCO;ORKSZXQEYWLHDG-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358241;MM358241;O=C(NO)C(O)C#CCO;JVIDASPOIIXWDB-UHFFFAOYSA-N;145.11;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358242;MM358242;OCCCC(F)C#CCF;MEHLLRGXTAAYGG-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358243;MM358243;C=C(C=NN)CC(C)CO;DEXCOYSPTWFNIM-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358244;MM358244;NCC#CC(F)CCCF;BGHQDCNPOWTTTB-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358245;MM358245;CC#CC(=CC)CC(C)O;DXCNYZREZGFEMN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358246;MM358246;C#CCC#CCCC(C)O;BTJSQZWKMKHBOS-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358247;MM358247;OCC#CC(F)CCCF;BBAOKKPXXSKYCY-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358248;MM358248;CCC#CC(F)C(=O)NC;IZUKUTQDBGQBIL-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358249;MM358249;CNCCC(C)C#CCO;CTUQZSBLSVVUAL-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358250;MM358250;CNC(=O)C(F)C#CCN;OWCHOXMZBDZZJG-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358251;MM358251;CNCCC(C)C#CCF;AAPKVKPYWQUDHJ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358252;MM358252;CCC#CC(F)C(=O)NN;KVLPGKSEMQYKBS-UHFFFAOYSA-N;144.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358253;MM358253;CCC#CC(F)CCNC;MOWQNUOADFXMGM-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358254;MM358254;CCC#CC(F)C(=O)NO;ONQXYRXZNJCACL-UHFFFAOYSA-N;145.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358255;MM358255;CNCCC(F)C#CCF;ZHIYYLYZHCOQMM-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358256;MM358256;C=C(OC)C(C)C#CCC;PNSBZQSREOPKAL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358257;MM358257;COCCC(N)C#CCF;RHHLEDSIOAHUSJ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358258;MM358258;C=C(OC)C(O)C#CCC;SEHAKQFIADXQBU-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358259;MM358259;CCC#CC(O)CCOC;DGOCHGDVCBODRH-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358260;MM358260;C=C(OC)C(O)C#CCO;PLZBXEZPJMEMRL-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358261;MM358261;COCCC(O)C#CCN;PURDXTWKFCDECI-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358262;MM358262;C=C(OC)C(O)C#CCF;YCKNSZPAFHBHNX-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358263;MM358263;CCNCC(C)C#CCN;FCYJJRBQDNQXOR-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358264;MM358264;CCC#CC(O)C(=O)OC;VTNJDHPZMAESOV-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358265;MM358265;CCC#CC(O)CNCC;YUUSGQMKGWJNRF-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358266;MM358266;COC(=O)C(O)C#CCN;QYUDWSPBENAFBJ-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358267;MM358267;CCNCC(O)C#CCN;GMECUIIFZUJDEE-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358268;MM358268;COC(=O)C(O)C#CCO;LSIADYMFWNGONG-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358269;MM358269;CCNCC(F)C#CCN;UOXHORZUFURBJS-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358270;MM358270;C=C(OC)C(F)C#CCC;AKHGWHPRCXDOGL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358271;MM358271;CCC#CC(O)COCC;DQSVKXZYMVZCPW-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358272;MM358272;C=C(OC)C(F)C#CCO;BABHXUHDTJIVFG-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358273;MM358273;CCOCC(O)C#CCN;VKHNXNDBHXBEKB-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358274;MM358274;CCC#CC(F)C(=O)OC;AJIKGPFQDKLKDR-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358275;MM358275;CCOCC(O)C#CCO;ZCIUTXZZIBINDM-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358276;MM358276;COC(=O)C(F)C#CCO;QAAWNDMESJUGIB-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358277;MM358277;CCCNC(C)C#CCO;COJWLOLVAAPRHC-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358278;MM358278;COC(=O)C(F)C#CCF;JDTOJHVTKLJGSL-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358279;MM358279;CCC#CC(C)NCCN;YRTSJIDXTYJYLI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358280;MM358280;C=CC#CC(C)C(=C)CC;FCONSGQLQHJUBO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358281;MM358281;CC(C#CCF)OCCO;JEEDJTMAPUYJTN-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358282;MM358282;C=C(CC)C(C)C#CC=O;YPFIEELQWCLRFL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358283;MM358283;COCOC(C)C#CCO;FLVUXEFMIUHTNW-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358284;MM358284;C=C(CC)C(C)C#CC#N;REKHLVZMQUBBIX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358285;MM358285;C=CC#CC(C)CCCC;HVAFNBICTHFFNR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358286;MM358286;C=CC#CC(C)C(=C)CN;OJTILPWVNVAVRZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358287;MM358287;CCCCC(C)C#CC#N;LBVRLLOLIFXRTM-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358288;MM358288;C=CC#CC(C)C(=C)CO;CWWRUEIEXLOQEN-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358289;MM358289;CC(C#CC#N)CCCO;UUMAPVQMVZJBHR-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358290;MM358290;C=CC#CC(C)C(=C)CF;RKOLQVLNPBCNPZ-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358291;MM358291;CC(C#CC#N)CCCF;OARRUYOBNIMYDN-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358292;MM358292;C=C(CF)C(C)C#CC#N;GOWVRVPBOBUOJT-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358293;MM358293;C=CC#CC(O)CCCC;ZNCKAYDBZGXJDF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358294;MM358294;C=CC#CC(C)C(=O)CC;APARIKCJVUVOQY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358295;MM358295;CCCCC(O)C#CC=O;SYVCDGXRVCWIRM-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358296;MM358296;CCC(=O)C(C)C#CC=O;FXXDNIWMVQLZLK-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358297;MM358297;CCCCC(O)C#CC#N;FQRDMVVRIIJGEU-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358298;MM358298;CCC(=O)C(C)C#CC#N;XWIVKPGWBQSCBF-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358299;MM358299;CCCCC(F)C#CC#N;REFDXERMMZDIBC-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358300;MM358300;C=CC#CC(C)C(=O)CO;UJMGAYPQRMYZKZ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358301;MM358301;CNCCC(C)C#CC=O;QVGWORVEZKZNMV-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358302;MM358302;CC(C#CC#N)C(=O)CO;YFPZGXAZOSAGGH-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358303;MM358303;C=CC#CC(C)CCOC;YRDDPTULLWZLRZ-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358304;MM358304;C=CC#CC(C)C(=O)CF;QGDBZQKLTGNDTD-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358305;MM358305;COCCC(C)C#CC#N;RUVYILWMFLVYQG-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358306;MM358306;C=CC#CC(N)C(=C)CC;GIQZFSGRXQEWSC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358307;MM358307;C=CC#CC(O)CCOC;FUYQGMSCYWZGQE-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358308;MM358308;C=CC#CC(N)C(=C)CN;VQODZCWAVJTZNT-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358309;MM358309;COCCC(O)C#CC=O;RMTZSWGANQKYNX-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358310;MM358310;C=CC#CC(N)C(=C)CF;DYXLFARPZOWMCR-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358311;MM358311;C=CC#CC(F)CCOC;JQUPVGVYLRSYMN-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358312;MM358312;C=CC#CC(O)C(=C)CC;AKFFYBZBLILFEY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358313;MM358313;COCCC(F)C#CC#N;QTLMHKWVDVXXHG-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358314;MM358314;C=C(CC)C(O)C#CC=O;PBTAMNQMTXGHMQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358315;MM358315;CCNCC(C)C#CC#N;PQSZMDHUXBCDGC-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358316;MM358316;C=C(CC)C(O)C#CC#N;ULUOTFYPRGDCMC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358317;MM358317;C=CC#CC(O)CNCC;FEZCMIDBSVWFDE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358318;MM358318;C=CC#CC(O)C(=C)CF;BYLAMEHDGJAXBH-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358319;MM358319;CCOCC(C)C#CC#N;RWLGYCJTBBWECN-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358320;MM358320;C=C(CF)C(O)C#CC=O;ZZIREHGOFVQQOK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358321;MM358321;C=CC#CC(O)COCC;QRYPTNSWHSZORF-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358322;MM358322;C=CC#CC(O)C(=O)CC;CBSDPXQVFVGMEJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358323;MM358323;CCOCC(O)C#CC#N;JXWYEIOXERCENX-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358324;MM358324;CCC(=O)C(O)C#CC#N;KRKNZJMWUHJDRZ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358325;MM358325;CCOCC(F)C#CC=O;BUWWOEXUHLIQBE-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358326;MM358326;C=CC#CC(O)C(=O)CO;ODGGRTJKPHTCKP-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358327;MM358327;C=CC#CC(C)OCCC;AMCHFNOOLJORCC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358328;MM358328;N#CC#CC(O)C(=O)CO;DYGNWOBFGJKDNV-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358329;MM358329;CCCOC(C)C#CC#N;MHAPPAVRFFFRGM-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358330;MM358330;O=CC#CC(O)C(=O)CF;VCSMMZFWZRDZEW-UHFFFAOYSA-N;144.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358331;MM358331;CC(C#CC#N)OCCF;LXTRXIKFFXPPLP-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358332;MM358332;N#CC#CC(O)C(=O)CF;BSMKPVXOKYSAFZ-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358333;MM358333;C#CC#CC(C)CCCC;CSHUKQPFCIXQCE-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358334;MM358334;C=CC#CC(F)C(=C)CC;KVPWRMAZUDGVQU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358335;MM358335;C#CC#CC(C)CCCN;IUXUFDJLGCKKQI-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358336;MM358336;C=C(CC)C(F)C#CC=O;LCHIZZXMROXCMG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358337;MM358337;C#CC#CC(C)CCCO;NILLOQZQVVGOLN-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358338;MM358338;C=C(CC)C(F)C#CC#N;SJRQYXWRJCYZAI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358339;MM358339;C#CC#CC(C)CCCF;VZPGZNMDBPPIPA-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358340;MM358340;C=CC#CC(F)C(=C)CN;HEJWHNSXQIOAQZ-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358341;MM358341;C#CC#CC(N)CCCO;CVRFYQAPSWLREF-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358342;MM358342;C=C(CO)C(F)C#CC#N;XSFAQJYTJYNPBP-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358343;MM358343;C#CC#CC(F)CCCC;ZYHSHZVLDJHBPV-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358344;MM358344;C=C(CF)C(F)C#CC=O;HDRKGHCUFVFKTQ-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358345;MM358345;C#CC#CC(F)CCCN;XVBOBDTXBILMIZ-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358346;MM358346;C=CC#CC(F)C(=O)CC;DDKVXIMQSZRKIR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358347;MM358347;C#CC#CC(F)CCCO;DEWBASWOXSPQAI-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358348;MM358348;CCC(=O)C(F)C#CC=O;GQAGDBZBAUIJKS-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358349;MM358349;C#CC#CC(C)CCNC;NETWBGYGKAJYCV-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358350;MM358350;CCC(=O)C(F)C#CC#N;SCNPAGQMUWJVFI-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358351;MM358351;C#CC#CC(F)CCNC;RFVWNWSNQXZYID-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358352;MM358352;N#CC#CC(F)C(=O)CO;QYWZMJNPAHWQEH-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358353;MM358353;C#CC#CC(C)CCOC;WAQPASBBXLNHMS-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358354;MM358354;N#CC#CC(F)C(=O)CF;RZGDOJJPUCXCLD-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358355;MM358355;C=CC#CC(C)C(=N)NC;LKSHGGJISQAHTI-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358356;MM358356;C#CC#CC(N)CCOC;ZDRUXCHHMBWXJK-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358357;MM358357;CN=C(N)C(C)C#CC=O;YVBOVAXTFKNSOW-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358358;MM358358;C#CC#CC(F)CCOC;DGAANSMBTSUAFL-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358359;MM358359;C=CC#CC(C)C(=N)NN;DBZFREOAPQHDQI-UHFFFAOYSA-N;137.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358360;MM358360;C#CC#CC(C)CNCC;KAHSEHZSRNOUPF-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358361;MM358361;C=CC#CC(C)C(=O)NC;QZKWIGMYSCRLLM-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358362;MM358362;C#CC#CC(O)CNCC;JVTFCWBUWGDUMU-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358363;MM358363;CN=C(N)C(O)C#CC=O;NBBKCWSFXZSIKP-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358364;MM358364;C#CC#CC(C)COCC;LWTIVKLKNOVNJM-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358365;MM358365;CNC(=N)C(O)C#CC#N;VFVAGIJQTUWYMI-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358366;MM358366;C#CC#CC(O)COCC;XULXEYXLVMEXDQ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358367;MM358367;CNC(=O)C(O)C#CC=O;VNAAOUZJOOLRJU-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358368;MM358368;C#CC#CC(F)COCC;BTDUAJXHIWJYMU-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358369;MM358369;CNC(=O)C(O)C#CC#N;OJGQNJHWZLNUCR-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358370;MM358370;C#CC#CC(C)NCCC;NQPJBCPHOIYTSF-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358371;MM358371;C=CC#CC(O)C(=O)NN;OOWXCCPKUDOSPC-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358372;MM358372;C#CC#CC(C)NCCN;SFVTXBPJXLMKLX-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358373;MM358373;C=CC#CC(O)C(=O)NO;AWHHOTBXUFYXQO-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358374;MM358374;C#CC#CC(C)OCCC;XWRCZDNWPXNSQY-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358375;MM358375;O=CC#CC(O)C(=O)NO;MRVMQJPHSGMSLJ-UHFFFAOYSA-N;143.1;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358376;MM358376;C#CC#CC(C)OCCN;BDOCXQWMXDBZEA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358377;MM358377;N#CC#CC(O)C(=O)NO;CNMFIEXKNUMELY-UHFFFAOYSA-N;140.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358378;MM358378;C#CC#CC(C)OCCO;FQFQDIUQUFKOMU-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358379;MM358379;CNC(=O)C(F)C#CC=O;YHORNFVXKQFBLO-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358380;MM358380;C#CC#CC(C)OCCF;VUZKRFDOWGIDDG-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358381;MM358381;C=CC#CC(F)C(=O)NN;CANOEYCRWUWRPU-UHFFFAOYSA-N;142.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358382;MM358382;C#CC#CC(C)OCOC;XIHIHENPZCOMTD-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358383;MM358383;C=C(OC)C(C)C#CC#N;ZODUAYHCWLRVSH-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358384;MM358384;CCC#CC(C)CCC=O;JLSCKIUJZCWLNL-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358385;MM358385;COC(=O)C(C)C#CC#N;QLYLHCCBHCFAGQ-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358386;MM358386;C=CCCC(O)C#CCC;SKRRQTLPQUQYSL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358387;MM358387;C=CC#CC(O)C(=C)OC;YMNVGMXUSXESOB-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358388;MM358388;C=CCCC(O)C#CCO;NHRBTIUOCUFICB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358389;MM358389;COC(=O)C(O)C#CC=O;KWNVPAOKWHZRLD-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358390;MM358390;C=CCCC(F)C#CCC;SDUVATAEIQKGFH-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358391;MM358391;C=CC#CC(F)C(=C)OC;VFGDRDZIYBCCAR-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358392;MM358392;C=CCCC(F)C#CCN;CIHYSCCNRAHDMA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358393;MM358393;C=C(OC)C(F)C#CC=O;HOQGXCRBOABTLV-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358394;MM358394;CCC#CC(F)CCC=O;JBAVIRGTYPCJHC-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358395;MM358395;C=C(OC)C(F)C#CC#N;FNNNWWWRVVSVQG-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358396;MM358396;CC(C#CCF)CNC=O;ILUABXNSPAIPGT-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358397;MM358397;C=CC#CC(F)C(=O)OC;HNRWAQKJBNOUDF-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358398;MM358398;CCC#CC(N)CNC=N;MECQRRYOWGIARJ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358399;MM358399;COC(=O)C(F)C#CC=O;FTFHQMZTXFKHFT-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358400;MM358400;N=CNCC(N)C#CCN;FRNCATPONHPSQL-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358401;MM358401;C#CC#CC(C)C(=C)CC;KEXUDTUKTSGMKS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358402;MM358402;NCC#CC(N)CNC=O;NNZLBYHXYVDXAX-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358403;MM358403;C#CC#CC(C)C(=C)CN;CDAWGUGUZZKCAQ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358404;MM358404;CCC#CC(O)CNC=N;HSJKBAKGIBZBSK-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358405;MM358405;C#CC#CC(C)C(=C)CO;CGOCOLQZUFHFBW-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358406;MM358406;N=CNCC(O)C#CCN;IVGWSWSAKFWOSK-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358407;MM358407;C#CC#CC(C)C(=C)CF;AZAAEAZIUVOPAW-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358408;MM358408;N=CNCC(O)C#CCO;GDJZCNJHEBAIHQ-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358409;MM358409;C#CC#CC(C)C(=O)CC;ZYNFQEQKQOSRLM-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358410;MM358410;N=CNCC(O)C#CCF;FHWHNWQMXRXQMV-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358411;MM358411;C#CC#CC(C)C(=O)CO;FKMNMXOSNJGGFF-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358412;MM358412;NCC#CC(O)CNC=O;SPDHIXMAQGTEBH-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358413;MM358413;C#CC#CC(C)C(=O)CF;AKKMIPCFNSEFHI-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358414;MM358414;O=CNCC(O)C#CCO;AGECWPLCNCIIFM-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358415;MM358415;C#CC#CC(O)C(=C)CC;WCMJBCVSNBTPOL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358416;MM358416;N=CNCC(F)C#CCN;ZAJQAMYKANDMEZ-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358417;MM358417;C#CC#CC(O)C(=C)CF;QGZRMXZDKVFLKA-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358418;MM358418;NCC#CC(F)CNC=O;VGIQILHTXBVYBC-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358419;MM358419;C#CC#CC(O)C(=O)CC;DPTREARATUUNMT-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358420;MM358420;O=CNCC(F)C#CCF;SLPMDVUULOLRAG-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358421;MM358421;C#CC#CC(O)C(=O)CO;JWTQJMYFHRZINX-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358422;MM358422;C=NNCC(C)C#CCC;AWCFZTBUCMRORP-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358423;MM358423;C#CC#CC(F)C(=C)CC;FKEXAJLCUPWTQL-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358424;MM358424;C=NNCC(C)C#CCN;OQLPVBQGZAZIIG-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358425;MM358425;C#CC#CC(F)C(=C)CN;WCYKQCIVNDEYTN-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358426;MM358426;C=NNC(C#N)=CN=NC;ZIEPGKUIXWKIKS-UHFFFAOYSA-N;137.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358427;MM358427;C#CC#CC(F)C(=C)CO;PLGJHASBNLJGOT-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358428;MM358428;C=NNCC(O)C#CCN;ZVGPOQLRXOPCLF-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358429;MM358429;C#CC#CC(F)C(=O)CC;AATLIIUCPJMOPJ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358430;MM358430;N#CC#Cc1c[nH]c(N)c1;WSVXNDIBXIESPV-UHFFFAOYSA-N;131.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358431;MM358431;C#CC#CC(F)C(=O)CO;HUZVZWLUVAPDBT-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358432;MM358432;C=NNCC(F)C#CCF;KLMFDICOMVTCCH-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358433;MM358433;C#CC#CC(C)C(=N)NC;MPHKEDBKVGSYSI-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358434;MM358434;C=COCC(O)C#CCC;LPCVNPYNFHEQLR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358435;MM358435;C=COCC(O)C#CCO;VOYJTCMZPKPVPU-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358436;MM358436;C#CC#CC(C)C(=N)NN;JLVZGPMGSLSINM-UHFFFAOYSA-N;135.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358437;MM358437;C=COCC(O)C#CCF;DSBZLKLDKGJCFO-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358438;MM358438;C#CC#CC(C)C(=O)NC;KZKJDCOKKUVCLB-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358439;MM358439;NCC#CC(O)COC=O;KSMAENGUAOOSNN-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358440;MM358440;C#CC#CC(C)C(=C)OC;HEKCIALJZHIOII-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358441;MM358441;O=COCC(O)C#CCO;LHSAOTADZAYOSC-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358442;MM358442;C#CC#CC(O)C(=C)OC;MXHUYOODULDNNN-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358443;MM358443;C=COCC(F)C#CCO;WDIPADCEBSFSOB-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358444;MM358444;C#CC#CC(F)C(=C)OC;VQAXUVXPKCBCPC-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358445;MM358445;C=NOCC(C)C#CCN;ZWFYANUWRVJXMN-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358446;MM358446;C#CC#CC(F)C(=O)OC;NSQXFBIDVAGRAB-UHFFFAOYSA-N;140.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358447;MM358447;C#CC(CO)C(C)CC=C;QGUOOVMSVCNXNB-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358448;MM358448;C=CC(=C)C(C)C#CCC;FOKGXZTZEDOKAX-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358449;MM358449;C=NOCC(N)C#CCN;GUFAWPPUYKRPDT-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358450;MM358450;C=CC(=C)C(C)C#CCN;KEXCXHUBYTTYHV-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358451;MM358451;C=NOCC(O)C#CCN;ZLVCNFNRPSOMSR-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358452;MM358452;C=CC(=C)C(C)C#CCO;ZECHDDIGTJJXCP-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358453;MM358453;NN1CCC(CF)=CC1=O;FZXBVLOGCZCCHG-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358454;MM358454;C=CC(=C)C(C)C#CCF;JCXGJGMZBUKTPK-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358455;MM358455;CCC#CC(C)NCC#N;BIAJOTDYEQMQHO-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358456;MM358456;C=C(C=O)C(C)C#CCC;IWCBCWYJFNWMKN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358457;MM358457;C=CCOC(C)C#CCN;VIIYBRSVNSIXOR-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358458;MM358458;C=C(C#N)C(C)C#CCC;BPMUCIVTSWINSY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358459;MM358459;CCC#CC(C)OCC#N;HJDIVWNUZCBQLA-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358460;MM358460;C=C(C=O)C(C)C#CCF;MCTZHSNEBNYFNG-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358461;MM358461;CC(C#CCF)OCC#N;MCZBZJOKNSZYHW-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358462;MM358462;C=C(C#N)C(C)C#CCF;VWYICEFTSZQLFC-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358463;MM358463;CC(C#CCF)ONC=O;KOYLOGMOGBRUSL-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358464;MM358464;C=CC(=O)C(C)C#CCC;GDOPVAFIEFGQQE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358465;MM358465;C=CCCC(C)C#CC#N;DJTFMGANQORGEI-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358466;MM358466;C=CC(=O)C(C)C#CCO;CGBWLWJEFLUHSN-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358467;MM358467;C=CC#CC(C)CCC=O;IFUKCHYMBMBSDN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358468;MM358468;C=CC(=O)C(C)C#CCF;DEMPTWBHWROEIM-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358469;MM358469;CC(C#CC#N)CCC=O;JJPJAYVDPYPOMQ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358470;MM358470;CCC#CC(C)C(=O)C=O;AQSAZQLSHIYLLL-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358471;MM358471;CC(C#CC#N)CCC#N;SZNRIWMNCFATBC-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358472;MM358472;CC(C#CCF)C(=O)C=O;ONTQMBFUSUJPOM-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358473;MM358473;C=CC#CC(O)CCC=C;SBXQLTRRULILBE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358474;MM358474;C=CC(=C)C(N)C#CCC;LEBBIGBTJYCSNQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358475;MM358475;N#CCCC(O)C#CC=O;GKONMTPKTGHPNY-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358476;MM358476;C=CC(=C)C(N)C#CCF;LPVQLNVLKFDHBM-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358477;MM358477;C=CC#CC(F)CCC=C;YYJWHGALCBNGFZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358478;MM358478;C=CC(=C)C(O)C#CCC;BQRVVDPQXXGCRK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358479;MM358479;C=CCCC(F)C#CC#N;VFWULRNRWMXWFM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358480;MM358480;C=C(C=O)C(O)C#CCC;FMNILFNJZVOSLK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358481;MM358481;C=CC#CC(F)CCC=O;MRQVGOPXUUSREK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358482;MM358482;C=C(C#N)C(O)C#CCC;UHFAJZHRRITCBN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358483;MM358483;C=CC#CC(F)CCC#N;LESBTVNHISHQNK-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358484;MM358484;C=CC(=O)C(O)C#CCC;XPQZCJOLRTZWTJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358485;MM358485;N#CC#CC(F)CCC=O;PSMAGWILQAYQAU-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358486;MM358486;C=CC(=O)C(O)C#CCF;ALIHOVUOOWDDTK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358487;MM358487;C=CC#CC(C)CNC=N;XJUXQOOZARMGPF-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358488;MM358488;CCC#CC(O)C(=O)C=O;BLSOVJVIUSVTFX-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358489;MM358489;C#Cc1n[nH]c(C=C)c1N;BECOOZOWSPMZAW-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358490;MM358490;CCC#CC(O)C(=O)C#N;HMEUUURRWQYSIO-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358491;MM358491;C=CC#CC(N)CNC=N;LPFRXAYGCWIPRF-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358492;MM358492;N#CC(=O)C(O)C#CCO;MKSFOQDNMNTHDD-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358493;MM358493;NC=NCC(O)C#CC=O;KNERYGHTPFXEQO-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358494;MM358494;C=CC(=C)C(F)C#CCC;IVODNKAICCMHDY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358495;MM358495;N=CNCC(F)C#CC=O;YRXXJCUZJILVFI-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358496;MM358496;C=CC(=C)C(F)C#CCO;ZGKGTBUYXZHBPO-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358497;MM358497;O=CC#CC(F)CNC=O;ZWZYRZFJKYIJHA-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358498;MM358498;C=CC(=C)C(F)C#CCF;GCHFLEYTMGFCMY-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358499;MM358499;C=NNCC(C)C#CC=O;RDQKRTNEWAUBSJ-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358500;MM358500;C=C(C=O)C(F)C#CCC;QBJVPSNROOXKRI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358501;MM358501;C=COCC(C)C#CC#N;USKDQAFUVJVRPI-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358502;MM358502;C=C(C#N)C(F)C#CCC;XRZOCYOTCHBHOP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358503;MM358503;C=CC#CC(O)COC=C;TZCALPAYAGDKOF-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358504;MM358504;C=C(C#N)C(F)C#CCF;GCZHTMAJIMHACE-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358505;MM358505;C=COCC(O)C#CC#N;DXFPCYCEUDZJQB-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358506;MM358506;C=CC(=O)C(F)C#CCC;RFRRESCAMHVBMI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358507;MM358507;C=CC#CC(O)COC=O;ZSTALINHQDIPCN-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358508;MM358508;CCC#CC(F)C(=O)C=O;CKENPCIUNNWKEL-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358509;MM358509;C=NOCC(C)C#CC=O;SRHMIDVEDKDQSA-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358510;MM358510;CCC#CC(F)C(=O)C#N;XUISZOWCVUKCMP-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358511;MM358511;CCN1C2CC(C=O)CC21;DKZSGAAZNHAFQT-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358512;MM358512;N#CC(=O)C(F)C#CCF;POONCLDDZMCGBM-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358513;MM358513;CC(C#CC#N)NCC#N;JHQHFYUZIOCHDF-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358514;MM358514;C=CC#CC(C)C(=C)C=C;YSNOWZMPAUYMBU-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358515;MM358515;CC(C#CC#N)NNC=N;KFCCONGLIYPHDD-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358516;MM358516;C=CC(=C)C(C)C#CC=O;RLIGPPQEGLHAQX-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358517;MM358517;C=CCOC(C)C#CC#N;GVHQPVLQZNIHBW-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358518;MM358518;C=CC(=C)C(C)C#CC#N;FHKOEKNNBNIPDL-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358519;MM358519;C=CC#CC(C)OCC#N;SYRHHBSHMJNTGF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358520;MM358520;C=CC#CC(C)C(=C)C=O;FHRVHMCSENJIPF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358521;MM358521;CC(C#CC=O)OCC=O;SCPRSIXGHXLEES-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358522;MM358522;C=CC#CC(C)C(=C)C#N;MWTLCAPKQJUGJD-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358523;MM358523;CC(C#CC=O)ONC=O;LXFFZYUZMZPAAL-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358524;MM358524;C=C(C=O)C(C)C#CC#N;VBRWNJFDCUEWEI-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358525;MM358525;C#CC#CC(C)CCC=C;DJNRLBZUBPRLFE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358526;MM358526;C=C(C#N)C(C)C#CC=O;GZAUIANZSGQZSS-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358527;MM358527;C#CC#CC(C)CCC=O;HLACKLCXLICWCP-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358528;MM358528;C=C(C#N)C(C)C#CC#N;OAUOCEOPWAXLDM-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358529;MM358529;C#CC#CC(C)CCC#N;QFQZYEQBYHLMMC-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358530;MM358530;C=CC#CC(C)C(=O)C=C;UVIBZNSMHAGPCG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358531;MM358531;C#CC#CC(F)CCC=C;RKVGLUBHTNJBES-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358532;MM358532;C=CC(=O)C(C)C#CC=O;RSKHQJBRYHHJHR-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358533;MM358533;C#CC#CC(F)CCC=O;GEVJZWDBEGPKKG-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358534;MM358534;C=CC(=O)C(C)C#CC#N;CLUAXQIQHGHRBX-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358535;MM358535;C#CC#CC(C)CNC=O;JBYYPNWRKCFBAL-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358536;MM358536;C=CC#CC(C)C(=O)C=O;XHBSYHVVUYXKIA-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358537;MM358537;C#CC#CC(N)CNC=N;YMZIMLASXKKDAT-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358538;MM358538;C=CC#CC(C)C(=O)C#N;AYVKTPGIGZVQTA-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358539;MM358539;C#CC#CC(F)CNC=N;KPZFLOFELYWGDT-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358540;MM358540;CC(C#CC#N)C(=O)C=O;JNGZVILTZIBBQF-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358541;MM358541;C#CC#CC(O)COC=C;UVYMGFPNRIBYCM-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358542;MM358542;CC(C#CC=O)C(=O)C#N;CUMWCCCYACDOEM-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358543;MM358543;C#CC#CC(O)COC=O;RSRHPKHAXJJPKQ-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358544;MM358544;CC(C#CC#N)C(=O)C#N;RHNSZGLSZFMXNA-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358545;MM358545;C#CC#CC(F)COC=C;LLJCABQEHKTAMI-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358546;MM358546;C=CC#CC(N)C(=C)C=C;SKQXCQIRSVYMBL-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358547;MM358547;C#CC#CC(C)CON=C;YUJDBMYRMKZOFW-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358548;MM358548;C=CC#CC(O)C(=C)C=C;QRGDRHHUVJECSD-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358549;MM358549;C=C(C)C(O)C=CC;NXQIZWACLZRURH-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358550;MM358550;C=CC(=C)C(O)C#CC#N;QHENTMVIEQVLEO-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358551;MM358551;C#CC#CC(C)NCC#N;XTEVWPFBXITNRL-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358552;MM358552;C=CC#CC(O)C(=C)C=O;LUODRYLPDHWMQX-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358553;MM358553;C#CC#CC(C)OCC=C;LYUAVSAQLILJPA-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358554;MM358554;C=CC#CC(O)C(=C)C#N;SJKIDNLGDAUQBK-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358555;MM358555;C#CC#CC(C)OCC#N;QAZLNNQWNMKQNP-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358556;MM358556;C=C(C#N)C(O)C#CC#N;YDVFENQGBMMBBF-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358557;MM358557;C#CCCC(O)C#CCC;INFNZXSROXQNNO-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358558;MM358558;C=CC#CC(O)C(=O)C=C;SJDYBXBYEPILIY-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358559;MM358559;C#CCCC(F)C#CCC;UJPVOTAMYFKFCT-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358560;MM358560;C=CC(=O)C(O)C#CC#N;FQVLCYHZTGJGGK-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358561;MM358561;C#CCNC(C)C#CCN;HEOIDQLVPBWZGM-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358562;MM358562;C=CC#CC(F)C(=C)C=C;SXTOIAKJFLGFOT-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358563;MM358563;C#CCOC(C)C#CCC;WNFMYUKNAKZTLZ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358564;MM358564;C=CC(=C)C(F)C#CC=O;BBDODXMRQPXFFE-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358565;MM358565;C#CCCC(C)C#CC=C;BHRRNTPDXLEGHX-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358566;MM358566;C=CC(=C)C(F)C#CC#N;QWSSFNFMASMOLG-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358567;MM358567;C#CCCC(C)C#CC#N;WJRVHGCQNNVMDV-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358568;MM358568;C=CC#CC(F)C(=C)C=O;XWNXFJLXJTVWIY-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358569;MM358569;C#CCCC(N)C#CC=C;PZXSBNAEUXLMQK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358570;MM358570;C=CC#CC(F)C(=C)C#N;LBCZFDGIINFTIL-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358571;MM358571;C#CCCC(O)C#CC=O;VAQPDDZVMPXZFC-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358572;MM358572;C=C(C=O)C(F)C#CC=O;WYSFYGSIDYXOFA-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358573;MM358573;C#CCCC(O)C#CC#N;BBSJULJARPKQNB-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358574;MM358574;C=C(C=O)C(F)C#CC#N;HQTXTVOAXPJAKV-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358575;MM358575;C#CCCC(F)C#CC=C;OEVFOHMMMWLFNP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358576;MM358576;C=C(C#N)C(F)C#CC=O;UKCAGUXMGNGRID-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358577;MM358577;C#CCCC(F)C#CC#N;CZMXMHFWXJTWDR-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358578;MM358578;C=C(C#N)C(F)C#CC#N;RWISHIAKQFFEMM-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358579;MM358579;C#CCOC(C)C#CC=C;RQKDFMIEXWDWSW-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358580;MM358580;C=CC#CC(F)C(=O)C=C;VFCFQMPRXMEART-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358581;MM358581;C#CCOC(C)C#CC=O;FUOBBQASYTYCJM-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358582;MM358582;C=CC(=O)C(F)C#CC=O;KQKBSOFUJFDCFK-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358583;MM358583;C#CCOC(C)C#CC#N;WCQRMVXLHDBBKS-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358584;MM358584;C=CC(=O)C(F)C#CC#N;KHKJSNODQDQANL-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358585;MM358585;C#CC#CC(C)CCC#C;FOLWPPZMWFLXOY-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358586;MM358586;C=CC#CC(F)C(=O)C=O;FJZHWMQMNPPPOA-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358587;MM358587;C#CC#CC(N)CCC#C;UFWAYWOHDLGCJM-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358588;MM358588;C=CC#CC(F)C(=O)C#N;UZLILXBAJIKCQK-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358589;MM358589;C#CC#CC(F)CCC#C;AJMQYSJKWOBFEB-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358590;MM358590;O=CC#CC(F)C(=O)C=O;HEUPGCBFRUNZNO-UHFFFAOYSA-N;142.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358591;MM358591;C#CC#CC(C)OCC#C;ATNRFPCJXMSAFX-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358592;MM358592;N#CC#CC(F)C(=O)C=O;LYWOLHSFKHTKGW-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358593;MM358593;C=C(C#CCN)CCCC;DGXORIGACOIEEU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358594;MM358594;N#CC(=O)C(F)C#CC=O;SEVNWICSCIUQCT-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358595;MM358595;C=C(C#CCN)CCCN;WOTFLAFCZGGCCS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358596;MM358596;C#CC#CC(C)C(=C)C=C;DPXDODUBEAQKMP-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358597;MM358597;C=C(C#CCF)CCCN;OUHQETOQNOZAOD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358598;MM358598;C#CC#CC(C)C(=C)C=O;ZMDSFVGDZAKKDB-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358599;MM358599;C=C(C#CCF)CCCO;YHVBZDLJYHOPBK-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358600;MM358600;C#CC#CC(C)C(=C)C#N;MOPCGHMEVQNEOZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358601;MM358601;C=C(C#CCO)CCCF;IQXNXRJOPNBMJW-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358602;MM358602;C#CC#CC(C)C(=O)C=C;LOHXEHSUZNKIDO-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358603;MM358603;C=C(C#CCF)CCCF;KQXPYGKEKYDYPL-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358604;MM358604;C#CC#CC(C)C(=O)C=O;ZEFPXJHGYLCWRA-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358605;MM358605;CCC#CC(=O)CCCC;IMNPWZDXLCSTSA-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358606;MM358606;C#CC#CC(C)C(=O)C#N;ZARZGTFMDFRAEZ-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358607;MM358607;CCCCC(=O)C#CCO;FHEXVLWWMBMOII-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358608;MM358608;C#CC#CC(O)C(=C)C#N;TVMAAECSLRFXOV-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358609;MM358609;CCC#CC(=O)CCCF;XXUSNKWJBBJKLP-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358610;MM358610;C#CC#CC(O)C(=O)C=C;WULVVMYXPGXHCT-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358611;MM358611;C=C(C#CCC)CCNC;JNCWJEBLPWJXDC-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358612;MM358612;C#CC#CC(F)C(=C)C=C;LNEXJNLMFSWKSA-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358613;MM358613;C=C(C#CCF)CCNC;VKDJHAGTJMFZRL-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358614;MM358614;C#CC#CC(F)C(=C)C=O;NCENMRKFBWPOTH-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358615;MM358615;C=C(C#CCF)CNCC;PHGDXSQBWFFZDZ-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358616;MM358616;C#CC#CC(F)C(=C)C#N;BDVYPCOQCGRIHI-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358617;MM358617;CCC#CC(=O)COCC;WFPVZJNKSSBMGU-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358618;MM358618;C#CC#CC(F)C(=O)C=C;QFCVMYWRXUJNLE-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358619;MM358619;CCOCC(=O)C#CCF;SFZJTDOYJGOPEA-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358620;MM358620;C#CC#CC(F)C(=O)C=O;CTGCXEJAMNTCGK-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358621;MM358621;N=C(C#CCN)NCCN;MXMMVNTYOWWGEP-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358622;MM358622;C#CC#CC(F)C(=O)C#N;GPUZUMDDCWLPBT-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358623;MM358623;N=C(C#CCO)NCCN;CGPDNNOZAHYMQM-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358624;MM358624;C#CC(=C)C(C)C#CCC;AQOIUJSMOBSEIP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358625;MM358625;N=C(C#CCN)NCCO;MYLZRNAPVUMXAW-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358626;MM358626;C#CC(=C)C(C)C#CCN;BSNYCMZKBCSRGD-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358627;MM358627;N=C(C#CCO)NCCO;OKZVVMFMRYIQQY-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358628;MM358628;C#CC(=C)C(C)C#CCO;VGPGOWURBFNNCY-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358629;MM358629;CCCNC(=O)C#CCO;VXSUTVIAIVHUQV-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358630;MM358630;C#CC(=C)C(C)C#CCF;QFJJJZQPBKPNFJ-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358631;MM358631;NCC#CC(=O)NCCN;YABOLGQBAHNECC-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358632;MM358632;C#CC(=C)C(O)C#CCC;WQUMTHHHDLBEDV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358633;MM358633;NCCNC(=O)C#CCF;HWQBDKPNYNBSNF-UHFFFAOYSA-N;144.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358634;MM358634;C#CC(=C)C(O)C#CCN;VUSZSLOAMJDGQV-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358635;MM358635;CCC#CC(=O)NCCO;YRKMGNLHUHARMJ-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358636;MM358636;C#CC(=C)C(O)C#CCF;BRYRSLBTDXUKOR-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358637;MM358637;O=C(C#CCO)NCCO;VHFWEMMDRDWENT-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358638;MM358638;C#CC(=O)C(O)C#CCC;BKAQGHJZBPTARV-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358639;MM358639;O=C(C#CCF)NCCO;LUOYGZFCDGLCNW-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358640;MM358640;C#CC(=O)C(O)C#CCO;BDBDKQQSJAACGD-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358641;MM358641;CCNNC(=N)C#CCN;WHHFMARQUYCNBN-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358642;MM358642;C#CC(=O)C(O)C#CCF;ZECQFGVQLJEKMR-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358643;MM358643;C=CC(O)C(C)=CC;QXRBXWFMQZVYFV-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358644;MM358644;C#CC(=C)C(F)C#CCC;YHOXLDWTHNUNOX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358645;MM358645;CCNNC(=O)C#CCF;PIEVTRUKYGHATO-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358646;MM358646;C#CC(=C)C(F)C#CCN;GOSKXUQEGBTZNT-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358647;MM358647;C=C(C#CCN)OCCN;XGXUJFMMGHZJDC-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358648;MM358648;C#CC(=C)C(F)C#CCO;DGRAHURKJLNKOE-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358649;MM358649;C=C(C#CCC)OCCO;UWNCZNLBGXAGSE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358650;MM358650;C#CC(=O)C(F)C#CCC;KPMAWJRTFQUSEZ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358651;MM358651;C=C(C#CCN)OCCO;BEKAPSZHRAUIAB-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358652;MM358652;C=C(C#CCF)OCCO;SFDCMIIPOSAGNU-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358653;MM358653;C#CC(=O)C(F)C#CCF;LKZXKTWCZYYEDX-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358654;MM358654;CCC#CC(=O)OCCC;RVCHDGSRQNBMJY-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358655;MM358655;C#CC(=C)C(C)C#CC=C;XZVTVHGEPDBQLR-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358656;MM358656;O=C(C#CCO)OCCO;XGRLVGGAMHJSGH-UHFFFAOYSA-N;144.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358657;MM358657;C#CC(=C)C(C)C#CC=O;XFWKSSKWMFVOBZ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358658;MM358658;C=C(C#CCC)OCOC;CJKIYGCFPDTCSN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358659;MM358659;C#CC(=C)C(C)C#CC#N;HWLHYJJPWYOISX-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358660;MM358660;C=C(C#CCF)OCOC;ATPUFBXJNDOXFZ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358661;MM358661;C#CC(=O)C(C)C#CC=C;CYPHRLLPFYODTP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358662;MM358662;CCC#CC(=O)OCOC;TUBGOQWCTXVASN-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358663;MM358663;C#CC(=C)C(O)C#CC=C;NVWNCHQYFWMDNS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358664;MM358664;C=CC#CC(=C)CCCC;QLCLPQBCCOFRAL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358665;MM358665;C#CC(=C)C(O)C#CC=O;KKNYMBCQSZUEPW-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358666;MM358666;C=C(C#CC#N)CCCC;UFNFBLBKKWIFKO-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358667;MM358667;C#CC(=C)C(O)C#CC#N;RDGDOMQPQNHLCZ-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358668;MM358668;C=CC#CC(=C)CCCN;KCRHUNCPKRGUSD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358669;MM358669;C#CC(=C)C(F)C#CC=C;CTKQIZCSASPVCK-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358670;MM358670;C=CC#CC(=C)CCCO;MGYKQTCDJSXIFA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358671;MM358671;C#CC(=C)C(F)C#CC=O;LOTUXMAHKGKLNZ-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358672;MM358672;C=C(C#CC#N)CCCO;ZUMLIMVZNLFSNB-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358673;MM358673;C#CC(=C)C(F)C#CC#N;HRWICCDMWLHXKC-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358674;MM358674;C=C(C#CC=O)CCCF;AJRUSXRNPWGGKG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358675;MM358675;C#CC(=O)C(F)C#CC=C;GRANGVAYLRYRHB-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358676;MM358676;C=C(C#CC#N)CCCF;BIZZKQZORDFKJP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358677;MM358677;C#CC#CC(C)C(=C)C#C;DSDXBLQQZNEONN-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358678;MM358678;C=CC#CC(=O)CCCC;PRFCHEMMTXWIIA-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358679;MM358679;C#CC#CC(C)C(=O)C#C;JHUJVHPHRVYBNP-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358680;MM358680;CCCCC(=O)C#CC#N;VAJJOIVPKQOCJB-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358681;MM358681;C#CC#CC(O)C(=C)C#C;MTWPNMYXFKDNMU-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358682;MM358682;C=CC#CC(=O)CCCF;ZVLCIROWHDQKTL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358683;MM358683;C#CC#CC(F)C(=C)C#C;NGDSRZLJMPZGBN-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358684;MM358684;C=CC#CC(=C)CCNC;HODQPZFLXFHSNB-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358685;MM358685;C#CC#CC(F)C(=O)C#C;JWTNKSRCNBIUKS-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358686;MM358686;C=C(C#CC#N)CCNC;ARXRBRWAKWHXCU-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358687;MM358687;C=C(C#CCC)C(C)CC;XCVPSBOPJKHNHL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358688;MM358688;C=CC#CC(=O)CCNC;NRQCWMCIDRVVKP-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358689;MM358689;C=C(C#CCN)C(C)CC;HTHYPGMRRNPDIV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358690;MM358690;C=CC#CC(=C)CCOC;CFEUYLCQMQGDNA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358691;MM358691;C=C(C#CCO)C(C)CC;LXMPQBINOJYJRC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358692;MM358692;C=C(C#CC#N)CCOC;YVRZRXIZYVLLFA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358693;MM358693;C=C(C#CCC)C(C)CN;CAYVUFQTBLHFCF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358694;MM358694;COCCC(=O)C#CC=O;MUSWWGAKVKFWQX-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358695;MM358695;C=C(C#CCF)C(C)CN;VCHBGQXMJNKNOJ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358696;MM358696;COCCC(=O)C#CC#N;IKGLLWQAHAWNID-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358697;MM358697;C#CC#CCC1CC1(C)O;WDPCPFYMQSMRHZ-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358698;MM358698;C=C(C#CC#N)CNCC;RWOQXRTZGXADEQ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358699;MM358699;C=C(C#CCC)C(C)CF;WEAMTKUNOKIQKZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358700;MM358700;C=C(C#CC#N)COCC;SWWQHVDQCBXRIT-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358701;MM358701;C=C(C#CCN)C(C)CF;CGXRBANSJFCRKW-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358702;MM358702;C=CC#CC(=O)COCC;AIDICNLYMYUCME-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358703;MM358703;C=C(C#CCO)C(C)CF;PQLBZRACFHPOBW-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358704;MM358704;CCOCC(=O)C#CC=O;IUBHFDOSUGSYRL-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358705;MM358705;C=C(C#CCC)C(N)CC;LKPVGMQBNPEEOA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358706;MM358706;CCOCC(=O)C#CC#N;VCJCRLULJLIPAG-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358707;MM358707;C=C(C#CCN)C(N)CN;DDOHVGBJGOWTJZ-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358708;MM358708;CCCNC(=N)C#CC#N;YGPREJJYOYHXPX-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358709;MM358709;C=C(C#CCN)C(N)CO;INPWLPSUEGTDNR-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358710;MM358710;C=CC#CC(=O)NCCC;PVYIRCQOHLWLBR-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358711;MM358711;C=C(C#CCO)C(N)CO;SLTZSKBOVJBKIH-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358712;MM358712;CCCNC(=O)C#CC=O;MCSFJQJPGSSZLC-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358713;MM358713;C=C(C#CCF)C(N)CO;GCHGSOKHBXHYFH-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358714;MM358714;O=CC#CC(=O)NCCO;ZTYKDTPWKYRAJB-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358715;MM358715;C=CC(=CC)CC(C)CO;APROBDITAAUENU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358716;MM358716;C=CC#CC(=N)NNCC;HOCMXBBQBLVMOI-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358717;MM358717;CC=C(C=O)CC(C)CO;YDUQPDSPULJRTP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358718;MM358718;CC1=CC2C(O)C2C1;VMBOPMZMUDVZOZ-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358719;MM358719;C=C(C#CCN)C(O)CN;JHQVJBSYSMIAEL-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358720;MM358720;CCNNC(=O)C#CC=O;GJWLABLCLHQTKS-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358721;MM358721;C=C(C#CCF)C(O)CN;DZXWFDBGRTTZLV-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358722;MM358722;C#Cc1cnn(C=O)c1O;YHXJYBNLRHOUPL-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358723;MM358723;C=C(C#CCN)C(O)CO;XEMWUMLSAWNUKQ-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358724;MM358724;C=C(C#CC#N)OCCC;XDQSWNYTWSCXBI-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358725;MM358725;C=C(C#CCO)C(O)CO;DIHKUGFWVXERMC-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358726;MM358726;C=CC#CC(=C)OCCO;HIHQGLCHXIQMJP-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358727;MM358727;C=C(C#CCF)C(O)CO;CKTHKIBNYYDCMX-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358728;MM358728;C=CC#CC(=O)OCCC;RMZVUKWZGRJWJM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358729;MM358729;C=C(C#CCO)C(O)CF;KABPWKRBAPSRQY-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358730;MM358730;CCCOC(=O)C#CC#N;LDHGDZHBSFKTQE-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358731;MM358731;C=C(C#CCF)C(O)CF;CHKDCCCVGWXCKN-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358732;MM358732;N#CC#CC(=O)OCCF;CMKNOUOTYGAMOY-UHFFFAOYSA-N;141.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358733;MM358733;C=C(C#CCC)C(F)CC;GUBJGXSLSHPQAJ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358734;MM358734;C=CC#CC(=C)OCOC;YWNQOCUZUWTEPD-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358735;MM358735;C=C(C#CCC)C(F)CN;RFHJLXBBFICCGT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358736;MM358736;C=C(C#CC#N)OCOC;BRJVEFODPIFXCB-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358737;MM358737;C=C(C#CCN)C(F)CN;QMCBIJVZEPVMRH-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358738;MM358738;COCOC(=O)C#CC#N;WSIXYFMFPBDKIT-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358739;MM358739;C=C(C#CCF)C(F)CO;KVRUTLACIKGRFW-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358740;MM358740;C#CC#CC(=C)CCCC;ZWUWELOLXANIQC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358741;MM358741;C=C(C#CCO)C(F)CF;NRHIWWWGXDCQEB-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358742;MM358742;C#CC#CC(=C)CCCN;AUUWEWOOBVPBPL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358743;MM358743;CCC#CC(=O)C(C)CC;MDLKIURLTXXJKA-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358744;MM358744;C#CC#CC(=C)CCCO;KTCVIHOZNATECS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358745;MM358745;CCC(C)C(=O)C#CCF;PHBLHFJVIJQFSX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358746;MM358746;C#CC#CC(=C)CCCF;WCQVXGRJANPGHY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358747;MM358747;CCC#CC(=O)C(C)CO;IULSFLOGIBIUMN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358748;MM358748;C#CC#CC(=O)CCCC;KJMOMRWODXBSSM-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358749;MM358749;CCC#CC(=O)C(O)CC;VHEJQERRURSJGZ-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358750;MM358750;C#CC#CC(=C)CCNC;LKJBNRAEZCSRJW-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358751;MM358751;CCC#CC(=O)C(O)CO;IJVNNDKSWGDCEC-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358752;MM358752;C#CC#CC(=O)CCNC;RZLADIYPDABLCE-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358753;MM358753;O=C(C#CCO)C(O)CO;JAIXNHSNCJZOQR-UHFFFAOYSA-N;144.13;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358754;MM358754;C#CC#CC(=C)CCOC;UKJVJWYHEBEIBF-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358755;MM358755;CCC#CC(=O)C(O)CF;FAXHMEKYDYDBQW-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358756;MM358756;CCC#CC(=O)C(F)CC;GASHESQRWVGOJS-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358757;MM358757;C#CC#CC(=C)CNCC;VYYNJVPQZMKRHZ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358758;MM358758;O=C(C#CCF)C(F)CO;SOKJMNNASRJCNP-UHFFFAOYSA-N;148.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358759;MM358759;C#CC#CC(=C)COCC;KMJNVTPZHFUYJW-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358760;MM358760;C=C(C#CCF)C(C)NC;LQIBHCVPPMCRMG-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358761;MM358761;C#CC#CC(=O)COCC;IOMWIRLBWUPEIZ-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358762;MM358762;C=C(C#CCC)C(C)OC;OSQLFPMIEZKIAW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358763;MM358763;C#CC#CC(=N)NCCC;ZEZQZOIINXGMBR-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358764;MM358764;C=C(C#CCN)C(C)OC;GFWMOCNJOZPNEN-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358765;MM358765;C#CC#CC(=O)NCCC;YDGOSAXNVOZULX-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358766;MM358766;CCC#CC(=O)C(C)OC;XRUONTTUYSRUPD-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358767;MM358767;C#CC#CC(=C)OCCC;RRTQJXLKRVVERX-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358768;MM358768;COC(C)C(=O)C#CCF;XVJAMBLBUJNQIP-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358769;MM358769;C#CC#CC(=O)OCCC;QFMPUUYNFIQMKH-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358770;MM358770;CCC#CC(=N)N(C)CC;XRNKQMXBSOOVSS-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358771;MM358771;C#CC#CC(=C)OCOC;CZNJIKMXLMQIKL-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358772;MM358772;CCN(C)C(=N)C#CCF;YFHFSEXOTAYTCC-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358773;MM358773;C=CCCC(=C)C#CCN;FTTWOSYWLCHGDO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358774;MM358774;CCC#CC(=O)N(C)CC;QSTVJTARKIOBPS-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358775;MM358775;C=CCCC(=C)C#CCO;ACJCHMOEUIQCQS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358776;MM358776;CCN(C)C(=O)C#CCO;IOJKZNKLFZFGTD-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358777;MM358777;C=C(C#CCF)CCC=O;LOULOJQEBRETMR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358778;MM358778;CCN(C)C(=O)C#CCF;FHDJLOXTXIDZSU-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358779;MM358779;C=CCCC(=O)C#CCC;PISQTWCSLUCFBM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358780;MM358780;CCC#CC(=O)N(N)CC;HJHYEQXFTIOSGO-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358781;MM358781;C=CCCC(=O)C#CCF;UYOYOLIJTAYWIK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358782;MM358782;CNN(C)C(=N)C#CCN;LZDSRKBLZZSNHT-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358783;MM358783;N#CCCC(=O)C#CCO;QINDVMGXDNNHBP-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358784;MM358784;CNN(C)C(=N)C#CCO;ILVMSXQSPHZGOL-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358785;MM358785;O=CCCC(=O)C#CCF;LEJLFRYCFJBCHK-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358786;MM358786;CC(CO)CC(C=O)=CN;QOSVUFABRZQFJV-UHFFFAOYSA-N;143.19;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358787;MM358787;C=C(C#CCC)CNC=O;KIMRGWZDBLARQW-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358788;MM358788;CNN(C)C(=O)C#CCF;ZGTUFUZFKZALJE-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358789;MM358789;C=C(C#CCN)CNC=O;JXGXZNGTKAEDPV-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358790;MM358790;CCC#CC(=O)N(C)OC;YWWFEDUSXCWKLU-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358791;MM358791;CON(C)C(=O)C#CCF;LQFPGIIMHLFYAU-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358792;MM358792;C=C(C#CCO)CNC=O;WGLHTJWBZNPPCX-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358793;MM358793;C=CC#CC(=C)C(C)CC;HBCONCDBCFWIIL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358794;MM358794;C=C(C#CCF)CNC=O;UDIJWNZYXLIVHP-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358795;MM358795;C=C(C#CC=O)C(C)CC;VSNLYDZAHMGYBA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358796;MM358796;NC=NCC(=O)C#CCO;DUVBUPZRVVMEPW-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358797;MM358797;C=C(C#CC#N)C(C)CC;KUMIMOHBZUGZOX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358798;MM358798;C=NNCC(=C)C#CCN;WPBGOYUZZNZXHW-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358799;MM358799;C=CC#CC(=C)C(C)CN;FPORHHXJFGUADF-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358800;MM358800;C#CC(C)CC(C)CO;IRXSGVZOFMWIMY-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358801;MM358801;CCC(=CCC(C)O)CC;FMNJZSNPKBSSHZ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358802;MM358802;C=COCC(=C)C#CCC;PYIIUVRBGDVLEH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358803;MM358803;C=CC(O)C(C)=C(C)CC;VCHKQQHTSXBIPA-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358804;MM358804;C=COCC(=O)C#CCO;BAGKFHZEPKHXQA-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358805;MM358805;C=CC#CC(=C)C(C)CF;JKWJUUNKOVMAQF-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358806;MM358806;CCC#CC(=O)COC=O;ZIAXDOYSKLTYDQ-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358807;MM358807;C=C(C#CC#N)C(C)CF;FBRZRXLGLICMOY-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358808;MM358808;C=NOCC(=C)C#CCC;JAHYDJXGXXVUDK-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358809;MM358809;C=CC#CC(=C)C(N)CC;BVTNUQNKUGAJKS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358810;MM358810;C=NOCC(=C)C#CCN;QVSJQWWOIINHQF-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358811;MM358811;C=CC#CC(=C)C(N)CN;BKZDPFDSYCKTCE-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358812;MM358812;C#CC1(C)C=CC(O)C1;JHHMNJOMZZYBCW-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358813;MM358813;C=NNC=C(F)C(=O)C=O;RNRLQIYQTUPCPZ-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358814;MM358814;C=CCNC(=O)C#CCC;STKCZGAZTVWKBN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358815;MM358815;C=C(C#CC=O)C(O)CC;UUBSKNKCCDMWAU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358816;MM358816;N#CCNC(=O)C#CCO;YGTBAUCHNBIWMG-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358817;MM358817;C=C(C#CC#N)C(O)CC;LFQGIIMWDCHLGH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358818;MM358818;CCC#CC(=N)NNC=N;GYXGCFCVDGNENQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358819;MM358819;C=CC#CC(=C)C(O)CO;BADIECZADUILBH-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358820;MM358820;N=CNNC(=N)C#CCN;AIKMJCGJXIFEEP-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358821;MM358821;C=CC#CC(=C)C(O)CF;CHCYABCNOINSSA-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358822;MM358822;N=CNNC(=N)C#CCO;GRMKDBKZCNAGNJ-UHFFFAOYSA-N;140.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358823;MM358823;C=CC#CC(=C)C(F)CC;NABBPSMDJVMNOX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358824;MM358824;NC=NNC(=O)C#CCO;WJXACPQNBPGWNB-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358825;MM358825;C=C(C#CC#N)C(F)CC;VRJYXGHQKMPAJE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358826;MM358826;CCC#CC(=O)NNC=O;UOAUHFSIXVJCLA-UHFFFAOYSA-N;140.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358827;MM358827;C=CC#CC(=C)C(F)CN;QVMUOYXHHJPVBR-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358828;MM358828;O=CNNC(=O)C#CCO;JUWYZEBBDHFYRH-UHFFFAOYSA-N;142.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358829;MM358829;C=CC#CC(=C)C(F)CO;OFDSGHXZACYQMY-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358830;MM358830;O=CNNC(=O)C#CCF;OKUVLDZAYKNNIK-UHFFFAOYSA-N;144.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358831;MM358831;C=CC#CC(=C)C(F)CF;FTLKIRARSKWBQF-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358832;MM358832;CCC#CC(=N)NOC=O;FJCAIIPUMVBDKL-UHFFFAOYSA-N;140.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358833;MM358833;C=C(C#CC=O)C(F)CF;HHDXPUCIINZJBF-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358834;MM358834;CC(O)C(C)C#CCF;HGSMOSAUPPJJPQ-UHFFFAOYSA-N;130.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358835;MM358835;C=C(C#CC#N)C(F)CF;CGGKHXVTHYMLMB-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358836;MM358836;N=C(C#CCF)NOC=O;QFCKYWVQASGTFO-UHFFFAOYSA-N;144.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358837;MM358837;C=CC#CC(=O)C(C)CC;KBLGJPYIOPGOML-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358838;MM358838;CCC#CC(=O)NOC=O;MNYCTQKIIUKWNA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358839;MM358839;CCC(C)C(=O)C#CC=O;PDVSLRGYUPQMTQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358840;MM358840;O=CONC(=O)C#CCO;MUPOAQCAYKGVEQ-UHFFFAOYSA-N;143.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358841;MM358841;CC(CF)C(=O)C#CC#N;KJOVWNDJXQUUSD-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358842;MM358842;C=C(C#CCF)OCC#N;NUDWMBYPQVMGTL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358843;MM358843;C=CC#CC(=O)C(O)CC;QQADUEPQGUUZIC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358844;MM358844;C=CCOC(=O)C#CCC;RZLKQKYLCALSSN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358845;MM358845;CCC(O)C(=O)C#CC=O;XDNOIHDVXKQRJG-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358846;MM358846;N#CC#CC(=O)C(O)CO;GOZQQRGEYHIVBZ-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358847;MM358847;C=CCOC(=O)C#CCF;PCXYERQBVQTBDS-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358848;MM358848;CC=NNCC(C)C=O;RGLADQCKZCRVTC-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358849;MM358849;C=CC#CC(=O)C(F)CC;FPPUMVQMQCRYIL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358850;MM358850;C=CC(O)CCC#CC;MCFXHUWXEFRFBG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358851;MM358851;CCC(F)C(=O)C#CC=O;JAXGVTGSGYLUPY-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358852;MM358852;O=CNOC(=O)C#CCO;XPAJPWUCIIRIME-UHFFFAOYSA-N;143.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358853;MM358853;N#CC#CC(=O)C(F)CO;JWZGCIPWMOTHFD-UHFFFAOYSA-N;141.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358854;MM358854;C=CCCC(=C)C#CC=O;NZLNAOUMUKVWPY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358855;MM358855;C=CC#CC(=O)C(F)CF;JWOWRTJSIWWBJG-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358856;MM358856;C=CCCC(=C)C#CC#N;KTENQDSVRHKQDF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358857;MM358857;O=CC#CC(=O)C(F)CF;PZLPLTQJEHMRGM-UHFFFAOYSA-N;146.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358858;MM358858;C=CC#CC(=C)CCC=O;CNWRBMYTFZYISR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358859;MM358859;C=C(C#CC#N)C(C)NC;DQTYYKJUUDWWRI-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358860;MM358860;C=CC#CC(=C)CCC#N;JLXVIITZPSXRNR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358861;MM358861;C=CC#CC(=C)C(C)OC;GMHMABQTPUFLIX-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358862;MM358862;C=C(C#CC#N)CCC=O;JIDMDQPXOPMJEU-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358863;MM358863;C=C(C#CC#N)C(C)OC;HLLPSCCMKIVVCB-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358864;MM358864;C=C(C#CC#N)CCC#N;UJDBJZDFRSJCNI-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358865;MM358865;C=CC#CC(=O)C(C)OC;NKWAXEIXJWMUIG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358866;MM358866;C=CC#CC(=O)CCC=C;CRUDCHMJKGILFQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358867;MM358867;COC(C)C(=O)C#CC=O;BONXBBQXERUKKR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358868;MM358868;C=CCCC(=O)C#CC#N;OBEMEXWWDUAGIE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358869;MM358869;COC(C)C(=O)C#CC#N;XRTIQBBGRCQUAN-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358870;MM358870;O=CC#CC(=O)CCC=O;OHIUOKRLEZSICD-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358871;MM358871;C=CC#CC(=N)N(C)CC;UYBKZSYARKXFAR-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358872;MM358872;N#CCCC(=O)C#CC=O;PEXSSCCAFIXTDH-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358873;MM358873;CCN(C)C(=N)C#CC=O;YOCAHHJPWGBWGS-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358874;MM358874;N#CC#CC(=O)CCC=O;OTEGDLZJLAJKTK-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358875;MM358875;CC=NNC(C#N)=CC=O;ABAXYXJJTRPZFQ-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358876;MM358876;C=CC#CC(=C)CNC=N;CXQMVIDDNJMVNK-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358877;MM358877;C=CC#CC(=O)N(C)CC;XJKCFWIBFBLXAF-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358878;MM358878;C=CC#CC(=C)CNC=O;FHTYHKUHRFBVGD-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358879;MM358879;C=CC#CC(=O)N(O)CC;FYOQNARGNUYFAD-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358880;MM358880;C=C(C#CC#N)CNC=O;UHQIBOHFRNFEII-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358881;MM358881;CNN(C)C(=O)C#CC=O;BSZADFQWUSZDMV-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358882;MM358882;C=COCC(=C)C#CC#N;ZAKGDCSMZDSEHQ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358883;MM358883;CNN(C)C(=O)C#CC#N;MWSNVXSGOPIEAH-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358884;MM358884;C=CC#CC(=O)COC=C;SZORXLKFSAPYOF-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358885;MM358885;CON(C)C(=N)C#CC#N;KIQZRGFJFYIAGJ-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358886;MM358886;C=COCC(=O)C#CC=O;QDEYBRYEZOHFCQ-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358887;MM358887;C#CC#CC(=C)C(C)CC;CNVRFZDSYJVBHZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358888;MM358888;C=COCC(=O)C#CC#N;UZAWXULGMTXCRZ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358889;MM358889;C#CC#CC(=C)C(C)CN;DCYKZSFZHAVPIS-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358890;MM358890;N#CC#CC(=O)COC=O;ASLJQLHFMMRAIJ-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358891;MM358891;C#CC#CC(=C)C(C)CF;WBPQUBIBTWUNKN-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358892;MM358892;C=CCNC(=O)C#CC=O;FGUOEGQFZYBFGK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358893;MM358893;C#CC#CC(=C)C(N)CC;HITNRTITSANYOT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358894;MM358894;C=CC#CC(=O)NCC=O;HQLRCFJQFKYVFL-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358895;MM358895;C#CC#CC(=C)C(N)CO;GZQNSQSZTLKCQX-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358896;MM358896;O=CC#CC(=O)NCC=O;LUEXDHCQGGYJQK-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358897;MM358897;C#CC#CC(=C)C(O)CC;NTFGILYJIUAVDN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358898;MM358898;N#CCNC(=O)C#CC=O;MQHVOBCMYNVUAQ-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358899;MM358899;C#CC#CC(=C)C(O)CN;VFUPQQPGAMJJRX-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358900;MM358900;C=CC#CC(=N)NNC=N;LRWZVXQXNNEXHP-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358901;MM358901;C#CC#CC(=C)C(O)CO;PGHPODOQOVZVEZ-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358902;MM358902;N=CNNC(=N)C#CC=O;CZEAZAFLIALBNR-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358903;MM358903;C#CC#CC(=C)C(O)CF;YZOQGIQVJXMDGR-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358904;MM358904;N#CC#CC(=N)NNC=N;QAQJLMZBZIODAI-UHFFFAOYSA-N;135.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358905;MM358905;C#CC#CC(=C)C(F)CC;GSDJKJYFBLTUTD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358906;MM358906;C=CC#CC(=O)NNC=N;FLQYWSYAYRWYEQ-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358907;MM358907;C#CC#CC(=C)C(F)CN;JJGJCDCFSWUZJY-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358908;MM358908;N=CNNC(=O)C#CC=O;BBLVWWYXDLXCDS-UHFFFAOYSA-N;139.11;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358909;MM358909;C#CC#CC(=C)C(F)CO;ZHVUDLGGCOGIDC-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358910;MM358910;O=CC#CC(=O)NNC=O;HNKKXNSILYDXSE-UHFFFAOYSA-N;140.1;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358911;MM358911;C#CC#CC(=C)C(F)CF;IGIDLOFGZYFDLG-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358912;MM358912;N#CC#CC(=O)NNC=O;FYNSGGMFQRWFKO-UHFFFAOYSA-N;137.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358913;MM358913;C#CC#CC(=O)C(C)CC;ZQIYLOPTTCRGKT-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358914;MM358914;C#CC#CC(=O)C(C)CO;GJTMGCQXVCDOCW-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358915;MM358915;C=CCc1cc(N)no1;NDRRULITCMJMTA-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358916;MM358916;C#CC#CC(=O)C(O)CC;CFDQZJUFNKLHSI-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358917;MM358917;C=C(C)C(C)C1CC1O;GDEKRVLWIXXMCL-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358918;MM358918;C#CC#CC(=O)C(F)CC;JNJAUFVKIQFSFL-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358919;MM358919;O=CC#CC(=O)NOC=O;CXQSCLKTTSFVFD-UHFFFAOYSA-N;141.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358920;MM358920;C#CC#CC(=C)C(C)OC;IZMUIFDRYBSXCW-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358921;MM358921;C=CC#CC(=C)OCC=C;GGIDUKBKDHWQND-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358922;MM358922;C#CC#CC(=O)C(C)OC;JDSWNTLWTBCSMJ-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358923;MM358923;C=CCOC(=C)C#CC#N;MUCDXQYLZHGGHR-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358924;MM358924;C#CC#CC(=N)N(C)CC;MMNWSBGONYLQIQ-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358925;MM358925;C=CC#CC(=C)OCC#N;DIRYRSZWYUFBCC-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358926;MM358926;C#CC#CC(=O)N(C)CC;FSQNZJQHZAAJLJ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358927;MM358927;C=CC#CC(=O)OCC=C;ZXRJLUGWWONNSL-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358928;MM358928;C=CC(C)C(=C)C#CCC;BWBKGQRRQLQJKI-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358929;MM358929;C=CCOC(=O)C#CC#N;UJGUWDAJSSXJGT-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358930;MM358930;C=CC(C)C(=C)C#CCN;IXSBZLDSOMTNNH-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358931;MM358931;N#CC#CC(=O)OCC=O;MNLDLRVCTLAUAO-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358932;MM358932;C=CC(C)C(=C)C#CCO;IUXQWRPBMNWTPO-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358933;MM358933;C#CC#CC(=C)CCC=C;JEUHWZLQJIOIRT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358934;MM358934;C=CC(C)C(=C)C#CCF;FFXRRVQIBNKHTO-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358935;MM358935;C#CC#CC(=C)CCC=O;RMSLFIZCMVRPNJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358936;MM358936;C=C(C#CCC)C(C)C=O;BFVKJYZVLBIITI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358937;MM358937;C#CC#CC(=C)CCC#N;LKEUZKQVDWGVJZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358938;MM358938;C=C(C#CCC)C(C)C#N;CNYLJRIICITVAO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358939;MM358939;C#CC#CC(=O)CCC=C;BRRYGKADRKEYSA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358940;MM358940;C=C(C#CCO)C(C)C#N;LVKGFZLHVJHHSC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358941;MM358941;C#CC#CC(=O)CCC=O;ITOPDEVCDUYXAI-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358942;MM358942;C=C(C#CCF)C(C)C#N;TZBUYFFARRAVIP-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358943;MM358943;C#CC#CC(=C)CNC=N;NKDGTZNDMQTFPH-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358944;MM358944;C=CC(N)C(=C)C#CCC;QNBCUCWOZBMUPM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358945;MM358945;C#CC#CC(=C)CNC=O;UBHKBMIRCDHKGK-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358946;MM358946;C=CC(N)C(=C)C#CCO;FDRNQWFJMQCPFU-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358947;MM358947;C#CC#CC(=C)CNN=C;HCHHRVWLOIIFPA-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358948;MM358948;C=CC(O)C(=C)C#CCC;KISGALFHWSTYOF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358949;MM358949;C#CC#CC(=C)COC=C;OKSOUHNIPCCSKO-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358950;MM358950;C=CC(O)C(=C)C#CCF;RYYNYKKOWTYLAS-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358951;MM358951;C#CC#CC(=C)COC=O;CCFPAXQDRPEQMD-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358952;MM358952;C=C(C#CCC)C(O)C=O;MBORJDORMZNUEC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358953;MM358953;C#CC#CC(=O)COC=C;JTKWHXQGNGFMCL-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358954;MM358954;C=C(C#CCC)C(O)C#N;BQFVWDNTJMXFBQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358955;MM358955;C#CC#CC(=C)CON=C;WBWKZYGATOPBNT-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358956;MM358956;C=C(C#CCF)C(O)C#N;XCVCSDIJHNWADT-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358957;MM358957;C#CC#CC(=O)NCC#N;OJRHWEPFXQWMKU-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358958;MM358958;C=CC(F)C(=C)C#CCC;GAOASFZXGHCQTE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358959;MM358959;C#CC#CC(=N)NNC=N;YAWJRYSZJGHNMT-UHFFFAOYSA-N;134.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358960;MM358960;C=CC(F)C(=C)C#CCN;IJMYHZRBQKHZET-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358961;MM358961;C#CC#CC(=O)NNC=N;PBHUBXUYHSUCFE-UHFFFAOYSA-N;135.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358962;MM358962;C=CC(F)C(=C)C#CCO;ATHKOVQEWDBXOQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358963;MM358963;FC(F)C#CCN1CC1;RPFUZODOAPAHKC-UHFFFAOYSA-N;131.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358964;MM358964;C=CC(C)C(=O)C#CCC;YOWRSAFSROOOMD-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358965;MM358965;C#CC#CC(=C)OCC#N;XGCVPXKMUJLRMY-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358966;MM358966;CCC#CC(=O)C(C)C#N;DTJRXAOLCSBDDK-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358967;MM358967;C#CC#CC(=O)OCC=C;OJFZRYVAJOFVKX-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358968;MM358968;CC(C#N)C(=O)C#CCO;SVZZKIBLNXTTOW-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358969;MM358969;C#CC#CC(=O)OCC=O;QTJWWMQOBOFFMT-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358970;MM358970;CC(C#N)C(=O)C#CCF;ULRUVBHBBWPXNS-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358971;MM358971;C#CCCC(=C)C#CCN;BNQHNGPDMYILDQ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358972;MM358972;C=CC(O)C(=O)C#CCF;KQOAERIEAVBNIL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358973;MM358973;C#CCNC(=N)C#CCC;RXOIFZYZXZPNLY-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358974;MM358974;CCC#CC(=O)C(O)C#N;QPTGTLSRUKUYQJ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358975;MM358975;C#CCNC(=O)C#CCC;QBKKYKRXIODSJW-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358976;MM358976;N#CC(O)C(=O)C#CCO;LQAXFSKHQKLGJD-UHFFFAOYSA-N;139.11;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358977;MM358977;C#CCOC(=O)C#CCC;AYMLTFUMHTUBGJ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358978;MM358978;C=CC(F)C(=O)C#CCC;GBACJCVLUSSJCW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358979;MM358979;C#CCCC(=C)C#CC#N;KAPHJRLMENUMQS-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358980;MM358980;C=CC(F)C(=O)C#CCF;ANTQWOJMNUJJNM-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358981;MM358981;C#CCCC(=O)C#CC#N;PWPJMTHHTGGQBC-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358982;MM358982;CCC#CC(=O)C(F)C#N;GHDUIQJJKQQDKG-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358983;MM358983;C#CCOC(=C)C#CC=O;LUAYDZNMOXXLGC-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358984;MM358984;N=c1nc(O)[nH]c(=NN)o1;IJFMVAAKLMEOKU-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358985;MM358985;C#CCOC(=O)C#CC=C;BREMJISTJCRPSK-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358986;MM358986;CN=c1[nH]nc(F)o1;XXEGKLTZVWBZRF-UHFFFAOYSA-N;117.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358987;MM358987;C#CC#CC(=O)CCC#C;XONQXAFJRJCQRJ-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358988;MM358988;N#CC(F)C(=O)C#CCF;CXRCSLMDXSHDNC-UHFFFAOYSA-N;143.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358989;MM358989;C#CC#CC(=O)NCC#C;WXIHUCVASKOLDQ-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358990;MM358990;C=C(C#CCC)N(C)C=N;RMTSFFQNMYXNMV-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358991;MM358991;C#CC#CC(=O)OCC#C;KXYHZOUVUPCMAB-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358992;MM358992;C=C(C#CCC)N(C)C=O;YMQZOYMKDNGWBA-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358993;MM358993;CC=CCC(O)C#CCC;JAVOKYGYQNWNIY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358994;MM358994;C=C(C#CCC)N(N)C=N;HFRVWUSLRALGJM-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358995;MM358995;NCC#CC(F)CC=CF;QPQQSZPJHQAVKI-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358996;MM358996;C=C(C#CCO)N(N)C=N;VGQQDBLXJJNUHE-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358997;MM358997;OCC#CC(F)CC=CF;OIZIFVBDDTXFSQ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358998;MM358998;C=C(C#CCC)N(N)C=O;RGMIHKUDBULPMN-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM358999;MM358999;C=CC(CC)C1CC1O;SPJVGZUJLGSTMS-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359000;MM359000;C#CCC(=NNC=N)OC;IHYOENYYGMZKIB-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359001;MM359001;NCC#CC(N)CC=NO;HRMVRSMTPLYVDG-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359002;MM359002;C=C(C#CCC)N(O)C=O;CPJXKIRCUPKBNE-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359003;MM359003;CC=NNC(C)C#CCC;GLNOMXRBHRKUDH-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359004;MM359004;C=CN(C)C(=N)C#CCC;GMHDFYVWLCUHLB-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359005;MM359005;CC=NNC(C)C#CCF;GMLGPFMMESSXIY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359006;MM359006;C=CN(C)C(=N)C#CCO;JETJDLFMZFLWKB-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359007;MM359007;CC=COC(C)C#CCC;CTDRFIXSUHVZRR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359008;MM359008;C=CN(C)C(=N)C#CCF;DEJKNGIHAMQITA-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359009;MM359009;CC=COC(C)C#CCN;HRUPNGZBXCXZGD-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359010;MM359010;CCC#CC(=N)N(C)C=N;DJWYHDKDHIYOGX-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359011;MM359011;C#CC(C=O)NN=CC;CWADVQZFRLGPIF-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359012;MM359012;CN(C=N)C(=N)C#CCN;GMTMMYLOMXDIGY-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359013;MM359013;CC(C#CCO)OC=NO;QYQBQTXUZXSGGE-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359014;MM359014;CC(C#CCF)OC=NO;HFYIKXLQUBZRAX-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359015;MM359015;CN(C=N)C(=N)C#CCO;NMXPCAFPUCACDP-UHFFFAOYSA-N;139.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359016;MM359016;CC=NOC(C)C#CCC;PIBCNWDHZVFDGB-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359017;MM359017;CN(C=O)C(=N)C#CCF;FDUHQWPSMRDRMZ-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359018;MM359018;CC=NOC(C)C#CCN;IZJNWCUAVQTIRU-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359019;MM359019;C=CN(N)C(=N)C#CCO;ONKWNCQJVPMBKE-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359020;MM359020;C#CC(C=O)=NNC=N;MWRHENARJHEMLG-UHFFFAOYSA-N;123.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359021;MM359021;C=CN(C)C(=O)C#CCC;GTMHZTAQULRVGR-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359022;MM359022;C=CC#CC(C)CC=CC;OMCJEGRSAGUPGK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359023;MM359023;C=CN(C)C(=O)C#CCF;VGCMCMMMDRJQJO-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359024;MM359024;CC=CCC(C)C#CC#N;AJTUVDOHAKZBGB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359025;MM359025;CCC#CC(=O)N(C)C=O;UOGUGCYRIZSPBA-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359026;MM359026;CC(C#CC#N)CC=CF;DKULEUPAOGJRTH-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359027;MM359027;CN(C=O)C(=O)C#CCO;BHWCAKHOROTZAR-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359028;MM359028;C=CC#CC(O)CC=CC;QMJLPNIAEJYVFI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359029;MM359029;CN(C=O)C(=O)C#CCF;CIYXEDOJHUYWLA-UHFFFAOYSA-N;143.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359030;MM359030;CC=CCC(O)C#CC#N;LWPFYMBSZJEPOY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359031;MM359031;C=CN(N)C(=O)C#CCC;CUMGYEGBUFZDEN-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359032;MM359032;CC=CCC(F)C#CC#N;CPLVUCOHCVFFGG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359033;MM359033;CN1CCC(CF)=CC1=O;QABUWNVFBKLSDD-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359034;MM359034;N#CC#CC(F)CC=CF;VBTBACABKGMOCA-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359035;MM359035;C#CC1=C(C)CC(CO)C1;ZIIDNSXBJOTQQK-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359036;MM359036;C=CC#CC(C)CC=NN;QGABDTYXCRUMQC-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359037;MM359037;CC1C(C=O)N=CN1C=O;PBYBOBHZCFEEGZ-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359038;MM359038;C=CC#CC(C)CC=NO;QKJBDNVQYXLHBD-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359039;MM359039;C=CN(O)C(=O)C#CCC;YGSFBLJWKXPYFE-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359040;MM359040;CC(C#CC#N)CC=NO;NFHSNPWQPAXUEW-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359041;MM359041;C=CN(O)C(=O)C#CCO;CGVBEBABYGLICW-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359042;MM359042;CN=CNC(C)C#CC#N;RJOLJLIHXRRNIC-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359043;MM359043;C=NN(C)C(=N)C#CCC;FZIVXWJFAYVIOA-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359044;MM359044;CNc1cnn(C=N)n1;PXUQRHPWTWUTQT-UHFFFAOYSA-N;125.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359045;MM359045;C=NN(C)C(=O)C#CCC;ZAQGYIGFTOCJSU-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359046;MM359046;C=CC#CC(C)NN=CC;GXCACWBCFWFEEO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359047;MM359047;C=CC#CC(=C)C(C)C=C;DQPLNIUCXOTACC-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359048;MM359048;CC=NNCCCC=O;IHWARVWZVLXJAA-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359049;MM359049;C=CC(C)C(=C)C#CC=O;PKVSLUGAHDPSMV-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359050;MM359050;C=CC#CC(C)OC=CC;DTUGNSUQIBHYRK-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359051;MM359051;C=CC(C)C(=C)C#CC#N;JYOKPTOFWYOZAL-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359052;MM359052;NN=CC=NNC=NN;OXVCTZZQVGYFGH-UHFFFAOYSA-N;128.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359053;MM359053;C=CC#CC(=C)C(C)C=O;WPEZKWDJHYWXEI-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359054;MM359054;C=CC#CC(C)OC=NO;GHQVZJDGHAFDEW-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359055;MM359055;C=CC#CC(=C)C(C)C#N;VAXHILYDPAZVMG-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359056;MM359056;CC=NOC(C)C#CC=O;XRJUOYJINACDFT-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359057;MM359057;C=C(C#CC=O)C(C)C#N;ICKBWNFMEBDEBP-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359058;MM359058;C=C(C#CC#N)C(C)C=O;HMEWZYOPKRLDJJ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359059;MM359059;CC=NOC(C)C#CC#N;PQUDANZWPIYGJA-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359060;MM359060;C=CC#CC(=C)C(N)C=C;CRKWBIWZSIRIRX-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359061;MM359061;C#CC#CC(C)CC=CC;MOSOAFFTTMDISL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359062;MM359062;C=CC#CC(=C)C(O)C=C;ILGCMYJDUBSUFP-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359063;MM359063;C#CC#CC(C)CC=CF;MKZKNYFVFISWEH-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359064;MM359064;C=CC(O)C(=C)C#CC#N;UTERFMMZCSEHQO-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359065;MM359065;C#CC#CC(N)CC=CC;FKJUPGZHXULVIU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359066;MM359066;C=C(C#CC#N)C(O)C=O;ZLXRFKQZSNERBM-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359067;MM359067;C#CC#CC(O)CC=CC;AUGMLHKQVADYQD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359068;MM359068;C=C(C#CC#N)C(O)C#N;SMCOUZITJCZMCH-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359069;MM359069;C#CC#CC(F)CC=CC;GVGRVIUZTGQHRL-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359070;MM359070;C=CC#CC(=C)C(F)C=C;UROAOKAKAIGTJN-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359071;MM359071;C#CC#CC(F)CC=CF;FQYPUGDAQOIVFP-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359072;MM359072;C=CC(F)C(=C)C#CC=O;QLUTWWRVLJCBNF-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359073;MM359073;C#CC#CC(C)CC=NO;VTZVQXAVPNWVLY-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359074;MM359074;C=CC(F)C(=C)C#CC#N;QHVXMUSVQYZIJS-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359075;MM359075;C#CC#CC(F)CC=NN;UMAHSVHPJNXQCF-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359076;MM359076;C=CC#CC(=C)C(F)C=O;DRPOWHDXNKOMQK-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359077;MM359077;CN1C2CC(C=O)CC21;DSRVHNIPAGLWOJ-UHFFFAOYSA-N;125.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359078;MM359078;C=C(C#CC#N)C(F)C#N;PYPZHKPIJNRJSO-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359079;MM359079;C#CC#CC(C)OC=CC;WVLHXVRKXMTXGL-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359080;MM359080;C=CC#CC(=O)C(C)C=C;SURRQYIJLGMECA-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359081;MM359081;CCC1=CC2C(O)C2C1;VQBFBUXNGZPBCR-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359082;MM359082;C=CC(C)C(=O)C#CC#N;FVOCTUQARAEGGN-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359083;MM359083;C#CC#CC(C)OC=NO;QGQZUEPCOFZDAX-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359084;MM359084;C=CC#CC(=O)C(C)C=O;KPGLMSLRCOXUAX-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359085;MM359085;C=C(C#CCN)CC=CF;WEHBUUSYQBZRCJ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359086;MM359086;C=CC#CC(=O)C(C)C#N;SGEGLHZDGCSVDJ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359087;MM359087;C=C(C#CCO)CC=CF;GRSJUURHVJJICR-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359088;MM359088;C=CC(O)C(=O)C#CC#N;AQWGBOQVYPBVBN-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359089;MM359089;O=C(C#CCO)CC=CF;QSFRLNPSVRKYGZ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359090;MM359090;C=CC#CC(=O)C(F)C=C;HKXYHXJTYZLKKK-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359091;MM359091;O=C(C#CCF)CC=CF;VTYLRVSYXNGBDV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359092;MM359092;C=CC(F)C(=O)C#CC=O;VSGKQHYQMNYHBE-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359093;MM359093;CC=CNC(=O)C#CCC;NMBCGDDHLCAAKZ-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359094;MM359094;C=CC(F)C(=O)C#CC#N;WULNUNIBXLGENB-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359095;MM359095;O=C(C#CCO)NC=CF;OFPDDCGJIMRXRI-UHFFFAOYSA-N;143.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359096;MM359096;CC(C)=C(C)C(=O)C(=O)O;MHCOSNACNZPIAM-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359097;MM359097;C=C(C#CCN)NC=NC;VJVXSFAQQXOFMF-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359098;MM359098;C=CC#CC(=O)C(F)C#N;PXJMEZVNBNZQPQ-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359099;MM359099;C=C(C#CCC)N=CNN;IUXMPKWTOHRHFR-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359100;MM359100;N#CC(F)C(=O)C#CC=O;QXYRNIQCMGGCLN-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359101;MM359101;CN=CNC(=O)C#CCO;QIHNGCOLKBQKIW-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359102;MM359102;CCn1oc(O)nc1=O;HXXDRTVVJUZMGQ-UHFFFAOYSA-N;130.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359103;MM359103;CN=CNC(=O)C#CCF;JZGMDKMQNDVFOH-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359104;MM359104;N#CC#CC(=O)C(F)C#N;HFPVHUILRKWHLP-UHFFFAOYSA-N;136.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359105;MM359105;NN=CNC(=O)C#CCO;GVNJNFHJWAAUHN-UHFFFAOYSA-N;141.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359106;MM359106;C=C(C#CC#N)N(C)C=N;PFEXCTZQRBOVRZ-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359107;MM359107;NN=CNC(=O)C#CCF;WYTJZOQYNDUDNH-UHFFFAOYSA-N;143.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359108;MM359108;C=CC#CC(=N)N(C)C=C;DAMKSNBNSOUKCR-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359109;MM359109;O=C(C#CCO)NC=NO;NMOHMQDYQLZSEV-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359110;MM359110;CN(C=O)C(=N)C#CC=O;RLNXTFGXXGDZFO-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359111;MM359111;O=C(C#CCF)NC=NO;YFPZYXSNDXCLIM-UHFFFAOYSA-N;144.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359112;MM359112;C=CC#CC(=N)N(N)C=O;UDOIPRSYFCYSGL-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359113;MM359113;OC1C2C=C(CF)CC12;KTPBLYSZENRHDM-UHFFFAOYSA-N;128.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359114;MM359114;C#CC(=CC)C1C(C)C1O;CBMBBLHKTBCKFQ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359115;MM359115;C=CC#CC=CC(C)(C)O;CORUYNFMURPWFJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359116;MM359116;C=CC#CC(=O)N(C)C=C;SAYSMNHEJICVSB-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359117;MM359117;CC=NNC(=O)C#CCC;BGGODIJTDUWICP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359118;MM359118;CN(C=N)C(=O)C#CC=O;RXETVAGSAFBAFW-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359119;MM359119;CC=NNC(=O)C#CCF;KSKIAQAVIVDRDF-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359120;MM359120;C#CC#CC(=C)C(C)C=C;SSHOXJALFHIDTP-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359121;MM359121;C=C(C#CCO)OC=CC;PKNRJMZXDVDVHH-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359122;MM359122;C#CC#CC(=C)C(C)C=O;OTLHIRODDXZSCM-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359123;MM359123;C=C(C#CCO)OC=CF;FWYQBQBEUBMFBL-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359124;MM359124;C#CC#CC(=C)C(C)C#N;QONQXJHEIDJYJQ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359125;MM359125;CC=COC(=O)C#CCC;KVYJKKKFCSHRDT-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359126;MM359126;C#CC#CC(=C)C(N)C=C;ZOXRXYKDXIGFLQ-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359127;MM359127;CCC#CC(=O)OC=CF;NQMMCCGDGSYYDY-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359128;MM359128;C#CC#CC(=C)C(O)C=C;YKRCKNVPFBNTRI-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359129;MM359129;CN(C=O)CC#CC(F)F;NTEGMMOYYQNGTH-UHFFFAOYSA-N;147.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359130;MM359130;C#CC#CC(=C)C(F)C=C;OICWNYDUJHUBNF-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359131;MM359131;C=C(C#CCC)OC=NO;REPBMJGZZGCVBY-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359132;MM359132;C#CC#CC(=C)C(F)C=O;CDDORDMIFCPSES-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359133;MM359133;C=C(C#CCO)OC=NO;UCUIJBYRVVSURQ-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359134;MM359134;C#CC#CC(=C)C(F)C#N;ZABCMPBDWHIBHF-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359135;MM359135;C=C(C#CC)CC(C)CO;NJOKSASDLCCJCI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359136;MM359136;C#CC#CC(=O)C(C)C=C;VOLMBRIAFYNMHV-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359137;MM359137;CC=NOC(=O)C#CCC;AYZWEMJGMNMSFD-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359138;MM359138;C#CC#CC(=O)C(C)C#N;FHLTWEDDWGBIOE-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359139;MM359139;CC=NOC(=O)C#CCF;RCSCOIIVMABPDK-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359140;MM359140;C=C(C#CC#N)CC=CC;CVENBMFCDGJCQI-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359141;MM359141;C#CC#CC(=O)C(F)C=C;MEBCNWPUUQNNDH-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359142;MM359142;C=C(C#CC#N)CC=CF;AQQACTZZYFIMLI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359143;MM359143;Cn1[nH]c(=O)n(O)c1=O;OFVAVAVIUHAQCB-UHFFFAOYSA-N;131.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359144;MM359144;C=CC#CC(=O)CC=CC;FKDLWXRLWCIPKC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359145;MM359145;C#CC#CC(=O)C(F)C#N;DBILAQJFFWMFLY-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359146;MM359146;CC=CCC(=O)C#CC#N;SRTRWKROQHPOTM-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359147;MM359147;C#CC#CC(=N)N(C)C=C;AGXAAJUSHKBWAE-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359148;MM359148;C=CC#CC(=O)CC=CF;VBVWCAWNOBIABK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359149;MM359149;C#CC#CC(=N)N(N)C=O;PSZIAVIUEPQUPF-UHFFFAOYSA-N;135.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359150;MM359150;C=C(C#CC#N)CC=NO;ZIXZGPUWNIJGFG-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359151;MM359151;C#CC#CC(=O)N(C)C=C;HRZCOZOMNOXFAE-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359152;MM359152;CC=CNC(=O)C#CC=O;URZBNAODHDOBLN-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359153;MM359153;C#CC(C)C(=C)C#CCC;WRALIPQSNDWNJX-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359154;MM359154;C=C(C#CC=O)NC=NC;ZIIKZMQVHPIKKJ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359155;MM359155;C#CC(C)C(=C)C#CCN;XNCHNPZXHCSKJE-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359156;MM359156;C=CC#CC(=O)NC=NC;RHYODOUPOHRLGJ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359157;MM359157;C#CC(C)C(=C)C#CCO;RMRACEGGEMWZRV-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359158;MM359158;CN=CNC(=O)C#CC=O;AZPWWCKJZNSUBK-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359159;MM359159;C#CC(F)C(=C)C#CCC;HOQPAYSWNJIDCE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359160;MM359160;CN=CNC(=O)C#CC#N;MVMMLRBJQVCZSP-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359161;MM359161;C#CC(F)C(=C)C#CCN;HONFZHNASVVYBA-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359162;MM359162;N#CC#CC(=O)NC=NO;FCIMJEUCRNNMGD-UHFFFAOYSA-N;137.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359163;MM359163;C#CC(F)C(=C)C#CCO;VJICXUSKDSVNPY-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359164;MM359164;CON=C(C)CC(C)C=O;NTBONCMRMAJVBW-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359165;MM359165;C#CC(C)C(=O)C#CCC;DWTAJDSYLZDRCW-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359166;MM359166;C=NN=C(C)CC(C)C=O;CYZRZIPFIMXCAN-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359167;MM359167;C#CC(C)C(=O)C#CCF;WYDYBZBCIZWAPR-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359168;MM359168;CC(C)Nc1noc(=O)o1;GNMRTJPEMBGBDF-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359169;MM359169;C#CC(O)C(=O)C#CCC;CISIKPNASXMXDV-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359170;MM359170;C=CC#CC(=O)NN=CC;LVWAECAAPXTATF-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359171;MM359171;C#CC(O)C(=O)C#CCO;XLMROAWDBDVDOV-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359172;MM359172;CC=NNC(=O)C#CC=O;CGCOZBGTRUWXFP-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359173;MM359173;C#CC(F)C(=O)C#CCC;VKEKMHIYZRGMBM-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359174;MM359174;CC=NNC(=O)C#CC#N;IOXHRIVMVHGDRH-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359175;MM359175;C#CC(F)C(=O)C#CCF;JQKGTRLVSSVBSZ-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359176;MM359176;C=CC#CC(=C)OC=CC;MTXUMKGKGVOHGO-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359177;MM359177;C#CC(C)C(=C)C#CC=C;FFBZNZJORFOFKU-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359178;MM359178;C=C(C#CC=O)OC=CC;CNOGEDUGZDIYLM-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359179;MM359179;C#CC(C)C(=C)C#CC=O;XWHXDMQTXKEOAF-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359180;MM359180;C=CC#CC(=O)OC=CC;VMPYSSRLFVSHFH-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359181;MM359181;C#CC(C)C(=C)C#CC#N;HUTGVLFJISQKJC-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359182;MM359182;CC=COC(=O)C#CC#N;WBNQLZYYIVHETH-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359183;MM359183;C#CC(O)C(=C)C#CC=C;OEJFLRSXXIAOQN-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359184;MM359184;C=CC#CC(=O)OC=CF;YINKOFIMUXYWKW-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359185;MM359185;C#CC(F)C(=C)C#CC=C;SNSCJWHXNFSAPM-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359186;MM359186;N#CC#CC(=O)OC=CF;HXGZBBHUYGELPG-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359187;MM359187;C#CC(F)C(=C)C#CC=O;UJQQYDNODASLDS-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359188;MM359188;C=C1CC(=CC#N)CC1O;QCZCVYVEWGKSNW-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359189;MM359189;C#CC(F)C(=C)C#CC#N;ZHTRAPDUNINOCG-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359190;MM359190;C=CC#CC(=O)ON=CC;IKXGSPBRBPPSAY-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359191;MM359191;C#CC(C)C(=O)C#CC=C;VGFYOKBJWKBPKD-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359192;MM359192;CC=NOC(=O)C#CC#N;FASPRNXCFGGMIO-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359193;MM359193;C#CC(C)C(=O)C#CC=O;KJKDQKWFJKJCDI-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359195;MM359195;C#CC#CC(=C)CC=CC;SUEFJNSXZPOZRK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359194;MM359194;C#CC(C)C(=O)C#CC#N;NMZSBCUVEIKONH-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359196;MM359196;C#CC(F)C(=O)C#CC=C;PCFNNRUQAPOJIQ-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359197;MM359197;C#CC#CC(=C)CC=CF;AHQBKQBSBCSHFQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359198;MM359198;C#CC(F)C(=O)C#CC=O;PEVORIZXUJQSIF-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359199;MM359199;C#CC#CC(=O)CC=CC;JHDHRPQNVHBVOM-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359200;MM359200;C#CC(F)C(=O)C#CC#N;PLOKTDIRIQTYRI-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359201;MM359201;C#CC#CC(=O)CC=CF;FSNUCYWFEDCVDO-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359202;MM359202;C#CC#CC(=C)C(C)C#C;KEUBKEMQCODVAK-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359203;MM359203;C#CC#CC(=C)CC=NN;BTHZFMVTKTZASE-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359204;MM359204;C#CC#CC(=C)C(O)C#C;ZTIKHSCVAJGTEP-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359205;MM359205;C#CC#CC(=C)CC=NO;CYHJTKKIZAFIBS-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359206;MM359206;C#CC#CC(=C)C(F)C#C;NPEBOXKYGFZRFC-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359207;MM359207;C#CC#CC(=O)NC=CC;KPFYDUBPFOUCLP-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359208;MM359208;C#CC#CC(=O)C(C)C#C;MWBIHEZEMPMXDA-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359209;MM359209;C#CC#CC(=O)NC=CF;KWWCQGBPEUOCSS-UHFFFAOYSA-N;137.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359210;MM359210;C#CC#CC(=O)C(F)C#C;ZWJNKSCUYZSVOG-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359211;MM359211;CC1CN1CC#CC(F)F;AGYMBIWDXDFTDO-UHFFFAOYSA-N;145.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359212;MM359212;C=C(C#CCC)C(=C)CC;KCJVGQCHJRQAIQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359213;MM359213;C#CC#CC(=O)NN=CC;DDLZKXBHGUSZRP-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359214;MM359214;C=C(C#CCN)C(=C)CC;JCKUHBZQYZLSSQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359215;MM359215;C#CC#CC(=C)OC=CC;CFRQOVLICSFQDS-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359216;MM359216;C=C(C#CCO)C(=C)CC;VLFQUBOZAVTHOV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359217;MM359217;C#CC#CC(=C)OC=CF;VDAMUZICZLBOSG-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359218;MM359218;C=C(C#CCF)C(=C)CC;BLAZXGDJSIKEGI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359219;MM359219;C#CC#CC(=O)OC=CC;XRSUNVQYJLSQSJ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359220;MM359220;C=C(C#CCC)C(=C)CN;WXDIQAMKHYKMOE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359221;MM359221;C#CC#CC(=O)OC=CF;YYAAXEYRBOVMNC-UHFFFAOYSA-N;138.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359222;MM359222;C=C(C#CCN)C(=C)CN;KXOYJTDJFOXAFT-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359223;MM359223;C#CC#CC(=O)ON=CC;MKSCKPAJCZTCHL-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359224;MM359224;C=C(C#CCF)C(=C)CN;FHJJWLCHWPVSQZ-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359225;MM359225;CC#CCC(C)C#CCC;OLKRZQBSBRMSFT-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359226;MM359226;C=C(C#CCC)C(=C)CO;OQLAEEKJPMDAIK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359227;MM359227;CC#CCC(C)C#CCN;VTLDSCYWTQTHQZ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359228;MM359228;C=C(C#CCF)C(=C)CO;APNOZYOHFOJZDU-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359229;MM359229;CC#CCC(F)C#CCC;WIJNKSLNIOHUJG-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359230;MM359230;C=C(C#CCC)C(=C)CF;JXHJWPLRDJVLIP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359231;MM359231;CC#CCC(F)C#CCN;APNGBLSJBKKTLH-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359232;MM359232;C=C(C#CCN)C(=C)CF;OFUWVLQYGLOPCV-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359233;MM359233;CC#CCC(F)C#CCO;ZGGUTBGBJKNTFM-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359234;MM359234;C=C(C#CCO)C(=C)CF;XNQPSXZGTBSQIH-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359235;MM359235;C=CC#CC(C)CC#CC;VTWQWAYLHBPVSP-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359236;MM359236;C=C(C#CCF)C(=C)CF;SHVDWCMSZUKALO-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359237;MM359237;CC#CCC(C)C#CC#N;HTNHRXODERTJPK-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359238;MM359238;C=C(C#CCC)C(=O)CC;KMOSMTQWVGMFOE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359239;MM359239;C=CC#CC(N)CC#CC;UNKGHQQDOAVYNC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359240;MM359240;C=C(C#CCF)C(=O)CC;ICKSMFYIMZOADM-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359241;MM359241;C=CC#CC(O)CC#CC;UWMBPVCNNPDSNU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359242;MM359242;C=C(C#CCC)C(=O)CO;GBMSJRWMZLKNJD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359243;MM359243;CC#CCC(O)C#CC=O;ZDPSXRZJGDTWNE-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359244;MM359244;C=C(C#CCC)C(=O)CF;QEDZGMASMAVDQC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359245;MM359245;C=CC#CC(F)CC#CC;RJAZGYMSUUZHJK-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359246;MM359246;C=C(CC)C(=O)C#CCC;LJQHHSXMGKMEDR-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359247;MM359247;CC#CCC(F)C#CC#N;NEMJNTQKDLULBT-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359248;MM359248;C=C(CC)C(=O)C#CCF;CVUYRMLGUPKLKU-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359249;MM359249;C#CC#CC(C)CC#CC;AHJIJFIDJNXQEU-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359250;MM359250;C=C(CO)C(=O)C#CCC;MQWWQTDJUWMIMR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359251;MM359251;C#CC#CC(N)CC#CC;URQRNPYTURXTDZ-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359252;MM359252;C=C(CO)C(=O)C#CCO;ORCGZPNNCFZDNZ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359253;MM359253;C#CC#CC(O)CC#CC;XCJMREDTJXBWSD-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359254;MM359254;C=C(CF)C(=O)C#CCC;DBGQDMFYAHRDRP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359255;MM359255;C#CC#CC(F)CC#CC;HPSSXLFDBLDNSJ-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359256;MM359256;CCC#CC(=O)C(=O)CC;RCWJXFFMMLGBII-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359257;MM359257;C=C(C#CCC)CC#CC;SAHUSROGAHSAQM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359258;MM359258;CCC(=O)C(=O)C#CCF;CBPZXMZPVIOVOH-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359259;MM359259;C=C(C#CCN)CC#CC;GERDVIDARNFYMN-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359260;MM359260;CCC#CC(=O)C(=O)CO;CYVGPFOVJNXPAO-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359261;MM359261;C=C(C#CCO)CC#CC;XJLHUCCAYNAAAG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359262;MM359262;O=C(C#CCO)C(=O)CO;GYVXGILMLOUQAD-UHFFFAOYSA-N;142.11;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359263;MM359263;CC#CCC(=O)C#CCC;DIJSEOAFFTTXCZ-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359264;MM359264;CCC#CC(=O)C(=O)CF;STEUMGRHZQZVQZ-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359265;MM359265;C=CC#CC(=C)CC#CC;CWBWGVYUQKZBBH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359266;MM359266;O=C(C#CCF)C(=O)CF;LBFUQQUQEPDGRD-UHFFFAOYSA-N;146.09;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359267;MM359267;C=C(C#CC#N)CC#CC;YGQCONGWSZFOOX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359268;MM359268;C=C(C#CCC)C(=N)NC;YQOFFHRSIMZQSK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359269;MM359269;C=CC#CC(=O)CC#CC;CZXVRUREVIBWHX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359270;MM359270;C=C(C#CCO)C(=N)NC;GUAHFHWINCLOFV-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359271;MM359271;CC#CCC(=O)C#CC=O;WHOYVIGPCZYPIJ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359272;MM359272;C=C(C#CCF)C(=N)NC;KHDDBYFHHBWVGY-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359273;MM359273;CC#CCC(=O)C#CC#N;QEENXHCFUWTTRJ-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359274;MM359274;C=C(C#CCC)C(=N)NN;GRGCCUYLBJMVLF-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359275;MM359275;C#CC#CC(=C)CC#CC;IAAAOGIWEHYZDW-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359276;MM359276;C#CC#CC(=O)CC#CC;KJKKXFCTDJGROG-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359277;MM359277;C=C(C#CCO)C(=N)NN;SFAPFVAGPYNJPH-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359278;MM359278;CC(C=CCN)C=CCO;KAUJELMVVPRFFS-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359279;MM359279;C=C(C#CCF)C(=N)NN;CADPUVGRBRHRII-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359280;MM359280;CCC=CC(N)C=CCN;ONEDVPILLJFVBP-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359281;MM359281;C=C(C#CCC)C(=N)NO;KTMWIQNGFJOHNZ-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359282;MM359282;NCC=CC(O)C=CCF;FQDUJGQJQXELAX-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359283;MM359283;C=C(C#CCN)C(=N)NO;NUEFZNNDYGMJQC-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359284;MM359284;COC=CC(N)C=CCO;OMUAQDATIHPTLZ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359285;MM359285;C=C(C#CCC)C(=O)NC;DNKBHCOOPUKGLI-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359286;MM359286;COC=CC(O)C=COC;NCLHGWFNGRCUNJ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359287;MM359287;C=C(C#CCF)C(=O)NC;XCKAIIMNJIIEOM-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359288;MM359288;CCC=CC(C)C=NNC;URJVNIBHYVNESU-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359289;MM359289;C=C1C=CCC1O;XPRXFRXNWJWFKH-UHFFFAOYSA-N;96.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359290;MM359290;CNN=CC(C)C=CCN;FFAFNDAVXITAHI-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359291;MM359291;C=C(C#CCO)C(=O)NO;NCECNMRXIKNVOU-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359292;MM359292;COC(=N)NN=C(C)OC;PGFOGGHXSBTZKB-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359293;MM359293;C=C1C=CC2(O)CC12;HYEPGTLFTPZEKM-UHFFFAOYSA-N;108.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359294;MM359294;CNN=CC(N)C=CCN;JECVOIDAKYCLTA-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359295;MM359295;C=C(C#CCC)C(=C)OC;IJKUHRHVTZVHSM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359296;MM359296;CC(C#N)C1CC1(C)CO;RYXOMUZTSGXALD-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359297;MM359297;C=C(C#CCO)C(=C)OC;KKONIXICNUZXFX-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359298;MM359298;CNN=CC(F)C=CCF;UTPGEDHHKOKKTI-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359299;MM359299;C=C(OC)C(=O)C#CCC;MDOIGKWVLBADLV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359300;MM359300;COC=CC(N)C=NOC;UQYWWCALCLPXGK-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359301;MM359301;C=C(OC)C(=O)C#CCF;XASSEYQJEKKJIM-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359302;MM359302;C#CC(CC)CC(C)CO;NYZDXLFUBNKJOO-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359303;MM359303;CCC#CC(=O)C(=O)OC;UBDODXYISYGGEV-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359304;MM359304;CC(C#N)CC1(CO)CC1;XFIZRYRDXCKBTL-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359305;MM359305;C=CC#CC(=C)C(=C)CC;ZCWKCARCJORVJN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359306;MM359306;CCC=NNCC(C)C=O;UFOZKBIRYZKHAB-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359307;MM359307;C=C(C#CC=O)C(=C)CC;PBIDHLVZKKPGDM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359308;MM359308;C=CC=NNCC(C)C=O;FAUSJKXPIYHVJC-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359309;MM359309;C=C(C#CC#N)C(=C)CC;IBKHURUOGVNKRO-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359310;MM359310;CCN=CN(O)C=CCN;IIVAXAQCIGUPTN-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359311;MM359311;C=CC#CC(=C)C(=C)CN;HHRCJYWTMDLXOW-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359312;MM359312;CC(CO)CCC#CCF;CDWLDZUARYXEAK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359313;MM359313;C=CC#CC(=C)C(=C)CO;DDBGUZXZVUOTQC-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359314;MM359314;CNN=CN(O)C=CCN;KOLNILFYXYWXNY-UHFFFAOYSA-N;144.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359315;MM359315;C=C(C#CC#N)C(=C)CO;RJOHIMZKADULQQ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359316;MM359316;C=CC#CCCC(C)CO;QFFAPYWNJUDPOV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359317;MM359317;C=CC#CC(=C)C(=C)CF;PMTOXMPJYVLPEE-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359318;MM359318;CON=CN(O)C=CCN;KGDXHLKTMMEMMW-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359319;MM359319;C=C(C#CC=O)C(=C)CF;JQCIIUKJODBJBM-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359320;MM359320;CC=NN=CNC(=N)C#N;SIWWCPZYPXFFSN-UHFFFAOYSA-N;137.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359321;MM359321;C=C(C#CC#N)C(=C)CF;MBBMRPZXCHPPKF-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359322;MM359322;CNN=CNN=C(C)OC;JOJKZDDNJFWDND-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359323;MM359323;C=CC#CC(=C)C(=O)CC;BCGGQQZLKLQGIW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359324;MM359324;CON=CN(C)C=NOC;QITSLUMTAHLQGO-UHFFFAOYSA-N;145.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359325;MM359325;C=C(C#CC=O)C(=O)CC;SDDJPQQMXAQUDJ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359326;MM359326;CCN=CN(C)N=COC;LORGQTDRGPBUHT-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359327;MM359327;C=C(C#CC#N)C(=O)CC;NLSKCMBLVKTDNZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359328;MM359328;CC=NOC(C=O)OCC;ASBDXMQWKXQKCY-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359329;MM359329;C=CC#CC(=C)C(=O)CO;JMLDCWORVZUEKN-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359330;MM359330;C#CCC(C=O)NN=CC;PUQMQNRGAPUMDW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359331;MM359331;C=C(C#CC#N)C(=O)CO;QEOYGILUUDFCDH-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359332;MM359332;C=CC=CC(N)C=CCO;VHONJHTWEUXQKO-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359333;MM359333;C=CC#CC(=C)C(=O)CF;ABXZSULANJYEHY-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359334;MM359334;CCC=CC(F)C=CC=O;WYNKYCVUFJXXJH-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359335;MM359335;C=C(C#CC#N)C(=O)CF;PLHOXQYIQSDTQM-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359336;MM359336;C=NN=CC(O)C=CCN;QOKQFUUOSWMNMZ-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359337;MM359337;C=CC#CC(=O)C(=C)CC;NFYBLYMRKCDAHI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359338;MM359338;C=NN=CC(F)C=CCO;WOBVLUDKKGWLFC-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359339;MM359339;C=C(CC)C(=O)C#CC#N;XFNNHUXOSZCZDR-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359340;MM359340;C=NN=CC(O)C=COC;BQYKXMREYUEKCC-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359341;MM359341;C=CC#CC(=O)C(=C)CF;JBQMKEJEYSXUKL-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359342;MM359342;C#CC(OC=O)ON=CC;JSJUJPSWLOEEJN-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359343;MM359343;C=C(CF)C(=O)C#CC#N;CNGBRHGEIQSBHH-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359344;MM359344;CC#CC(C=O)ON=CC;STHMOIGGUCIKRB-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359345;MM359345;C=CC#CC(=O)C(=O)CC;QQMWFMIVBFIBRF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359346;MM359346;CON=CC(C)C=CC#N;MHDXFJFJTCHFLE-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359347;MM359347;CCC(=O)C(=O)C#CC=O;YKWVYNFDMNFHQQ-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359348;MM359348;Cc1noc(=O)nc1NN;MBQCDTDHNBRYIN-UHFFFAOYSA-N;142.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359349;MM359349;CCC(=O)C(=O)C#CC#N;BRLJVIUJGNBNOZ-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359350;MM359350;C=NN=CC(N)C=NNC;MZNNNBXERSOZQV-UHFFFAOYSA-N;141.18;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359351;MM359351;O=CC#CC(=O)C(=O)CF;YVBCGJDPGLOVNN-UHFFFAOYSA-N;142.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359352;MM359352;CN(C=CCN)C=NC=N;CEPKYJNDDWQJNR-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359353;MM359353;N#CC#CC(=O)C(=O)CF;XFDAVMVNCKNGHA-UHFFFAOYSA-N;139.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359354;MM359354;CN(C=CCN)C=NC=O;PGVDBCWXNGOPDH-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359355;MM359355;C=CC#CC(=C)C(=N)NC;GNLLOGDWAALMCL-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359356;MM359356;N=CN=CN(O)C=CCN;FDAVNSSSLJOUPL-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359357;MM359357;C=CC#CC(=C)C(=N)NN;HVXMOKXIVAJRMW-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359358;MM359358;O=CN=CN(O)C=CCO;WXLFXJDMZCRHCG-UHFFFAOYSA-N;144.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359359;MM359359;C=C(C#CC=O)C(=O)NO;VOJKFJGRQSOSBI-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359360;MM359360;C#CC(C=O)NN=CCC;IBGOZNXYVSHYLW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359361;MM359361;CC1(C2CC2O)CC1;HGPVGVAYJWUOLA-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359362;MM359362;COC=CN(N)C=NC=N;OPJLUZSDCRFLLO-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359363;MM359363;C=CC#CC(=C)C(=C)OC;JZXBQTXSRHIWEF-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359364;MM359364;N=CNc1noc(CF)n1;CAGCFWAZQGXJMR-UHFFFAOYSA-N;144.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359365;MM359365;C=C(C#CC#N)C(=C)OC;INRNMVSERPBCAL-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359366;MM359366;CON=CN(C)C=CC#N;YECNWMZZLVTOOM-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359367;MM359367;C=CC#CC(=O)C(=C)OC;WAGYQRFXHOZYKL-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359368;MM359368;C#Cc1nc(NCC)co1;AZQUOFZZDAVHPB-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359369;MM359369;C=C(OC)C(=O)C#CC=O;IVESVYIDIPEYEM-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359370;MM359370;C#CCc1cc(NC)no1;XDZXPEUQARLWHP-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359371;MM359371;C=C(OC)C(=O)C#CC#N;WOHFKMORHRONFZ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359372;MM359372;CON=CN(C)C=NC=N;HNVPZYVICMMUCU-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359373;MM359373;COC(=O)C(=O)C#CC#N;PENCWIQMVCFENV-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359374;MM359374;CON=CN(N)C=NC=N;FSVCIPHOZUHFNX-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359375;MM359375;C#CC#CC(=C)C(=C)CC;BXWVGNYHXQDJCQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359376;MM359376;CCNc1cn(CC)nn1;DAKOOHJAIBGGOZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359377;MM359377;C#CC#CC(=C)C(=C)CN;KSWYIIPQEPTMAX-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359378;MM359378;C=NN=CN(C)C=NOC;JQBVSUNIANHMCD-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359379;MM359379;C#CC#CC(=C)C(=C)CO;KZFJBPOMIIFFIT-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359380;MM359380;CON=CN(C)N=CC=O;FEXUZCXMWBBIPX-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359381;MM359381;C#CC#CC(=C)C(=C)CF;MJDQMZBIWQCOPI-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359382;MM359382;COC=NN(C)C=CC#N;SORCSWGEOSCOTD-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359383;MM359383;C#CC#CC(=C)C(=O)CC;ZTIDHTHXYBKOOE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359384;MM359384;CCC=NN(C)C=NC=N;VOCFVMRMJVCDGH-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359385;MM359385;C#CC#CC(=C)C(=O)CO;WKZWQJCFBRKWOW-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359386;MM359386;CCCC1=CC2C(O)C2C1;RNLVXAZPNXITLK-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359387;MM359387;C#CC#CC(=C)C(=O)CF;KOKQQIOWXSHPHA-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359388;MM359388;N#CCC1=CC2C(O)C2C1;QKFWERNCKGBOIY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359389;MM359389;C#CC#CC(=O)C(=C)CC;IAFHIWXZAAOANX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359390;MM359390;C#CCC1=CC2C(O)C2C1;PBSBOEZKUTZDQS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359391;MM359391;C#CC#CC(=O)C(=C)CF;AEBQELDOCMKAJN-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359392;MM359392;COC=NN(C)C=NC=N;CEKAQLCGIBTBDU-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359393;MM359393;C#CC#CC(=O)C(=O)CC;RNSOHSYBVHQXRX-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359394;MM359394;C=NN=CN(C)N=COC;IFPGYSGDSOBRKI-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359395;MM359395;C#CC#CC(=C)C(=N)NC;XFQKWYRLTNCBSW-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359396;MM359396;C#CC=CC(N)C=CCN;CWZPXUIAWJIUNC-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359397;MM359397;C#CC#CC(=C)C(=N)NN;NJLYMIFJBQWHDA-UHFFFAOYSA-N;133.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359398;MM359398;C#CC=CC(O)C=CCN;CWMPVLUWFILQAG-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359399;MM359399;Cc1c(N)c[nH]c1F;SVBFJUMIMWUSCU-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359400;MM359400;C#CC#CC(=C)C(=C)OC;RRZAUXDYXXNMJU-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359401;MM359401;C#CC=CC(O)C=CCF;YKGDNNCZNKXEOA-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359402;MM359402;C#CC#CC(=C)C(=O)OC;QVZJHYATADXVJS-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359403;MM359403;C#CC=CC(N)C=NOC;DGNVBQZTHRYWLE-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359404;MM359404;C=CC(C=O)C1NC1C=C;XFMBQCOPBZCBIR-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359405;MM359405;C#CC#CC(=O)C(=C)OC;KFCRNEATFLCNMZ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359406;MM359406;C#CC=CN(C)C=NOC;JOHRPUDPRCUMRP-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359407;MM359407;C=CC(=C)C(=C)C#CCC;ISTJYSUVXDIYHU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359408;MM359408;C=CC#CCC1C(C)C1O;OGORFAVJWZTPEO-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359409;MM359409;C=CC(=C)C(=C)C#CCN;LRSSIFFZACYNRW-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359410;MM359410;C#CC=NN(C)C=NCC;DUUORBVEQPMNLF-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359411;MM359411;C=CC(=C)C(=C)C#CCO;XUSHMEYFLSTRSW-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359412;MM359412;C=CC=CC(C)C=CC=O;KMJHTJJPKHTLKY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359413;MM359413;C=CC(=C)C(=C)C#CCF;NKUVPYCNRQANRQ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359414;MM359414;N#CC=CC(O)C=CC#N;APYJLYKNZADHIS-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359415;MM359415;C=C(C#CCC)C(=C)C=O;ONUOYRIJOBFNTG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359416;MM359416;N#CC=CC(F)C=CC#N;YKDXCNGZLXACSE-UHFFFAOYSA-N;136.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359417;MM359417;C=C(C#N)C(=C)C#CCC;YGBDZLQGEUWEPH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359418;MM359418;C=NN=CC(C)C=CC#N;VWSHURDHBJSYDY-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359419;MM359419;C=C(C#N)C(=C)C#CCO;YGCXPZSODOUNEL-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359420;MM359420;O=CCCCNN=CCF;WGHWTWQHNMTGHL-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359421;MM359421;C=CC(=O)C(=C)C#CCC;HPESCGMXTTUKOY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359422;MM359422;C=NN=CC(O)C=NN=C;TWTOTUNRAAQWBI-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359423;MM359423;C=C(C#CCC)C(=O)C=O;RLLKKLMZRILZJR-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359424;MM359424;CN=C1CCC(C=O)=NN1;UJKSLSWQCXPGRY-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359425;MM359425;C=CC(=C)C(=O)C#CCC;IQXXYMCAAQJQGS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359426;MM359426;O=CC=CN(O)C=NC=O;PYSKUAVWRFXFQX-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359427;MM359427;C=CC(=C)C(=O)C#CCF;DIVBJLSYJMZSTB-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359428;MM359428;CC(C)C1CC1O;IKTIMEBIJIVVLG-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359429;MM359429;C=C(C=O)C(=O)C#CCC;WYQSLYAPSVKLQO-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359430;MM359430;C=CC=NN(C)C=CC#N;RBZGWSCCAOASHM-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359431;MM359431;C=C(C#N)C(=O)C#CCO;BYMJZYVHSQSMNN-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359432;MM359432;CN(C=NC=N)N=CC=O;QZWDZKPQBWRPAH-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359433;MM359433;C=CC(=O)C(=O)C#CCC;UEGSFDSQAWCNOW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359434;MM359434;CN(C=NC=O)N=CC=O;XAEGBUSLBKVXNW-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359435;MM359435;C=CC(=O)C(=O)C#CCF;YJCIYQFLNNWOMC-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359436;MM359436;C=NN=CN(C)N=CC=O;OACCTDJEYPEMMG-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359437;MM359437;C#CC=CC(C)C=CC=O;GRDPWROWPSJLRG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359438;MM359438;CCC#CC(=O)C(=O)C#N;LRDBHXNRMMMPLK-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359439;MM359439;C#CC=CC(C)C=NN=C;IVRVYEQVPQRESJ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359440;MM359440;N#CC(=O)C(=O)C#CCO;DVHCXAIJEORPAI-UHFFFAOYSA-N;137.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359441;MM359441;C#CC=CC(O)C=NN=C;XVUAYFIQZGHVAD-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359442;MM359442;O=CC(=O)C(=O)C#CCF;AFTKVTKGYARADT-UHFFFAOYSA-N;142.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359443;MM359443;Cc1nn(C)nc1N;HSEZTFODCGCZAR-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359444;MM359444;C=CC#CC(=C)C(=C)C=C;QAWKDJMMCMOTQV-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359445;MM359445;C#CC=CN(O)C=NC=O;CZOCGQWPUXVMFE-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359446;MM359446;C=CC(=C)C(=C)C#CC=O;FNEKSZAGJRSIQG-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359447;MM359447;C#CC=NN(C)C=CC#N;RKGFYAKGHGPRJB-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359448;MM359448;C=CC(=C)C(=C)C#CC#N;ONCWYXGZNPYMKL-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359449;MM359449;O=C(C=CCO)C=CCO;SDXGQJGHDQWTJN-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359450;MM359450;C=CC#CC(=C)C(=C)C=O;DOZHVQAOTJHPQI-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359451;MM359451;CCC=CC(=O)C=CNC;CMAHTIYYQUJRPC-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359452;MM359452;C=CC#CC(=C)C(=C)C#N;ICSNDNRLXYERTA-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359453;MM359453;COC=CC(=O)C=CCO;NHOYVPXNPUXYTR-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359454;MM359454;C=C(C#N)C(=C)C#CC=O;VIKSFCVQMBOOFX-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359455;MM359455;CNC=CC(=O)C=COC;TXGVEHAAWXQLFF-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359456;MM359456;C=C(C#CC#N)C(=C)C=O;MMYUFSVFBBAZCA-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359457;MM359457;C=C(C=CC=O)C=CCO;DDPPBBGXMGLPJU-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359458;MM359458;C=C(C#N)C(=C)C#CC#N;GWTSVAUUFJEOER-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359459;MM359459;N#CC=CC(=O)C=CCF;FWNQEGYFFWTMOH-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359460;MM359460;C=CC#CC(=C)C(=O)C=C;NYNALTFQASGVMP-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359461;MM359461;C=CC=CC(=O)C=CNC;OFKVPKLUSRGISD-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359462;MM359462;C=CC(=O)C(=C)C#CC#N;NSYXATDOYHCTKC-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359463;MM359463;O=CC1CC(F)(F)CN1;QMVXXBYNRQSGCK-UHFFFAOYSA-N;135.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359464;MM359464;C=CC#CC(=C)C(=O)C#N;LPOCMXUFNXDVIN-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359465;MM359465;C#CC=CC(=C)C=NNC;IQWSUZHRZCVBFM-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359466;MM359466;C=C(C#CC#N)C(=O)C=O;CFFLOZDQTIOHFP-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359467;MM359467;C#CC=CC(=C)C=NOC;PUNYQDCZOQFGSK-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359468;MM359468;C=C(C#CC=O)C(=O)C#N;HIJIELUUJOTTKO-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359469;MM359469;C=C(C=CC#N)C=CC=O;PNQYSYNHGDCZGQ-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359470;MM359470;C=CC#CC(=O)C(=C)C=C;YCVZUPOIBCBPGJ-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359471;MM359471;C=CC=CC(=O)C=CC=C;QGXDSPJPXRPTKT-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359472;MM359472;C=CC(=C)C(=O)C#CC#N;QPPVTSAXLWWPCR-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359473;MM359473;C=CC=CC(=O)C=CC=O;VZGBGHXVWVFFIM-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359474;MM359474;C=CC#CC(=O)C(=C)C=O;GNCRBXNFOCOKPL-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359475;MM359475;C=NN=CC(=O)C=CC=O;FKYOWXNJZNTJEH-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359476;MM359476;C=CC#CC(=O)C(=C)C#N;RXMLERWNIJIVAD-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359477;MM359477;C=NN=CC(=O)C=NN=C;NDOSBINCUVLYES-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359478;MM359478;C=C(C=O)C(=O)C#CC=O;YWAXETQVWQOVPH-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359479;MM359479;C#CC=CC(=C)C=CC=O;LBGXEKPHHDFHJT-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359480;MM359480;C=C(C=O)C(=O)C#CC#N;LBTXMCZPTQUIBG-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359481;MM359481;C#CC=CC(=C)C=CC#N;NGLIUBSNXWSHSX-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359482;MM359482;C=CC#CC(=O)C(=O)C=C;MELQNZKZYUEQQD-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359483;MM359483;C#CC=CC(=O)C=CC#N;UGZLKTSNKBPKOW-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359484;MM359484;C=CC(=O)C(=O)C#CC=O;OOSSFBHGTVCOIY-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359485;MM359485;CCC#CC(C)C=CCC;BIQYPXBHJNKYSH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359486;MM359486;CC(C#CCO)C=CCN;XMLHBIVLIRUQEY-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359487;MM359487;C=CC(=O)C(=O)C#CC#N;PSNMMTOBFHAKJZ-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359488;MM359488;CC(C#CCN)C=CCO;JODQCAWVIDVSBS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359489;MM359489;C=CC#CC(=O)C(=O)C=O;RINYFZRXDTUXDD-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359490;MM359490;CC(C#CCF)C=CCO;OGNQJHKZSBBXAY-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359491;MM359491;O=CC#CC(=O)C(=O)C=O;SZOFFADTENJEIF-UHFFFAOYSA-N;138.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359492;MM359492;CC(C#CCN)C=CCF;JOQFUMIFNWGRML-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359493;MM359493;N#CC#CC(=O)C(=O)C=O;GGLBVCKKQBLCDP-UHFFFAOYSA-N;135.08;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359494;MM359494;CCC#CC(N)C=CCC;XQFJIBVXFXENGO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359495;MM359495;N#CC#CC(=O)C(=O)C#N;WMARQCBPCRCVFV-UHFFFAOYSA-N;132.08;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359496;MM359496;CCC=CC(N)C#CCN;RSEYWUOMXMPPFT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359497;MM359497;C#CC#CC(=C)C(=C)C=C;RXFJJLLMCIUUPS-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359498;MM359498;CCC#CC(N)C=CCN;IPTWUTKDVAPKAG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359499;MM359499;C#CC#CC(=C)C(=C)C=O;FEHULLASWVMJTI-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359500;MM359500;NCC#CC(N)C=CCN;FZSRCBQZUQOTPP-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359501;MM359501;C#CC#CC(=C)C(=C)C#N;OQKVGQIOKPVCJJ-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359502;MM359502;NCC#CC(N)C=CCF;FIROFRSWPJGZND-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359503;MM359503;C#CC#CC(=C)C(=O)C=C;HFLHHKIRCLPFLU-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359504;MM359504;CCC=CC(O)C#CCO;LISYEDYHJMUHGJ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359505;MM359505;C#CC#CC(=C)C(=O)C#N;AELPISDOWCZAMA-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359506;MM359506;NCC#CC(O)C=CCO;RUKFYTDVBGFRLM-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359507;MM359507;C#CC#CC(=O)C(=C)C=C;MAIQLJMYQNSGJA-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359508;MM359508;OCC=CC(O)C#CCF;IUQHZIQUEVBUER-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359509;MM359509;C#CC#CC(=O)C(=C)C=O;OWSWMKWPEISJOT-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359510;MM359510;NCC#CC(O)C=CCF;YOESOQFPVIHRTN-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359511;MM359511;C#CC#CC(=O)C(=C)C#N;GLZSXUYUDVIYGI-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359512;MM359512;OCC#CC(O)C=CCF;JRJUBGLATLBIBE-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359513;MM359513;C#CC#CC(=O)C(=O)C=C;QLZWYHDUJLDUFG-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359514;MM359514;OC(C#CCF)C=CCF;RPHLARSYVVPRRM-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359515;MM359515;C#CC#CC(=O)C(=O)C=O;AQBVNFOQCOKWIH-UHFFFAOYSA-N;134.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359516;MM359516;NCC#CC(F)C=CCO;NLYWISHNOWSVFH-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359517;MM359517;C#CC(=C)C(=C)C#CCC;BXBOELYVECAILP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359518;MM359518;OCC=CC(F)C#CCF;RKNYHKKUJSEQPD-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359519;MM359519;C#CC(=C)C(=C)C#CCN;BSJHDIHVDLUUPE-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359520;MM359520;CCC#CC(F)C=CCF;NLBCWEZQUJBUIR-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359521;MM359521;NCC#CC(F)C=CCF;DBTLTWFDZVYYRX-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359522;MM359522;C#CC(=C)C(=C)C#CCO;RAFNZSGYHADYIB-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359523;MM359523;COC=CC(N)C#CCF;RBKHFTJHOJEITI-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359524;MM359524;C#CC(=C)C(=C)C#CCF;MXXVJKJXOSCOGY-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359525;MM359525;CCC#CC(O)C=COC;CMSNMNYMWCZFOP-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359526;MM359526;C#CC(=O)C(=C)C#CCC;IGIWKVZAPJMCJF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359527;MM359527;COC=CC(O)C#CCN;ZFVXNXNLGGNLRH-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359528;MM359528;C#CC(=C)C(=O)C#CCC;OCODUUSZLCNXBI-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359529;MM359529;COC=CC(O)C#CCF;HOAXSPJLOHIUGT-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359530;MM359530;C#CC(=C)C(=O)C#CCO;UQJRHSJRZYIYAX-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359531;MM359531;CCC#CC(F)C=COC;IDAMJSNIXABJDB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359532;MM359532;C#CC(=C)C(=O)C#CCF;LSKKQFSHFNVBBN-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359533;MM359533;COC=CC(F)C#CCO;RCFITJZFAXCSFD-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359534;MM359534;C#CC(=O)C(=O)C#CCC;PYTKZPQGNGUMPR-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359535;MM359535;CNN=CC(C)C#CCN;FUMIEJDPMAVQPC-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359536;MM359536;C#CC(=C)C(=C)C#CC=C;BXVSAVSXWSGDOQ-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359537;MM359537;CNN=CC(N)C#CCN;YWOWRTFBFNERBO-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359538;MM359538;C#CC(=C)C(=C)C#CC=O;RTSCLQRQLKFUPA-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359539;MM359539;CNN=CC(O)C#CCN;OMQJGOBQFCNHPE-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359540;MM359540;C#CC(=C)C(=C)C#CC#N;WXMVVBOELSMDBX-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359541;MM359541;C#CC(=C)C(=C)C(C)O;UEFABQSADBNAGA-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359542;MM359542;C#CC(=O)C(=C)C#CC=C;XKUZGLSWABOGEM-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359543;MM359543;CON=CC(N)C#CCN;CHNGHKQLACEFEK-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359544;MM359544;C#CC(=O)C(=C)C#CC=O;UIEVWRBCRYQNCU-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359545;MM359545;CCC(O)CC#CCF;VSMMRRTXSCYVGR-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359546;MM359546;C#CC(=O)C(=C)C#CC#N;QMVWLTZDEOGNOI-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359547;MM359547;CON=CC(O)C#CCN;LYRPAKJWTFUUGI-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359548;MM359548;C#CC(=C)C(=O)C#CC=C;JHYICGOBHJVEDB-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359549;MM359549;CCC=CC(C)C#CC#N;SMDULNRHDSWCTI-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359550;MM359550;C#CC(=C)C(=O)C#CC#N;ZACQRAIOAQDLIS-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359551;MM359551;C=CC#CC(C)C=CCO;VFGJSHYIZJOARH-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359552;MM359552;C#CC(=O)C(=O)C#CC#N;BRTGBISWKIURBY-UHFFFAOYSA-N;131.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359553;MM359553;C=CC#CC(C)C=CCF;RMJAJVHAFLLGOB-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359554;MM359554;C#CC#CC(=C)C(=C)C#C;DTKUBJVJUJMXMR-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359555;MM359555;CC(C#CC#N)C=CCF;QFUDEPCBDCRSEB-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359556;MM359556;C#CC#CC(=C)C(=O)C#C;MAGVZYMXYVUBMH-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359557;MM359557;CCC=CC(O)C#CC#N;PLWCVLLCWDTEGB-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359558;MM359558;C#CC#CC(=O)C(=C)C#C;OLAOSHOAKIQWDS-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359559;MM359559;CCC=CC(F)C#CC#N;HSLXHKVXKTUWFM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359560;MM359560;CC=C(C)C(C)C#CCC;GGFMUOPAHSBFRL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359561;MM359561;N#CC#CC(F)C=CCO;PRWPUXDTPDDPJV-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359562;MM359562;CC=C(C)C(C)C#CCN;HSAYBUXHYBCTCP-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359563;MM359563;C=CC#CC(O)C=COC;PFGBLXWRSXWHPD-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359564;MM359564;CC=C(C)C(C)C#CCO;OZKJSWDBMZODQI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359565;MM359565;C=CC#CC(F)C=COC;RXMWTVDRWUXJMY-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359566;MM359566;CCC#CC(C)C(C)=CF;RZFAGUPXSTYOGJ-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359567;MM359567;CC(=CF)C(C)C#CCN;DZLFRIIMJPVZPO-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359568;MM359568;COC=CC(F)C#CC=O;XRQNNRUOKVKKKP-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359569;MM359569;CC(=CF)C(C)C#CCO;YWPNVUTWMMZGRA-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359570;MM359570;CNN=CC(C)C#CC=O;USEJXUDYPHLVLS-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359571;MM359571;CCC#CC(C)C(F)=CF;LLIREULWZVZONN-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359572;MM359572;CNN=CC(O)C#CC=O;LWYMJZFJIJDZJG-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359573;MM359573;CC(C#CCN)C(F)=CF;CJOVRTCSDCWEOS-UHFFFAOYSA-N;145.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359574;MM359574;C=CC=C(C)C(O)C=C;IZQHGZHIXKIKRV-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359575;MM359575;CC=C(C)C(N)C#CCC;JQZGCROOWAGASV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359576;MM359576;CON=CC(C)C#CC#N;JDCZUIBAYZQJFV-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359577;MM359577;CCC#CC(N)C(C)=CF;PQJFCIQWYLPQOP-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359578;MM359578;C=CC#CC(O)C=NOC;PKSXRXXFAUYKKE-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359579;MM359579;CC=C(C)C(O)C#CCC;ORDABGCWAMDYAH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359580;MM359580;C#CCC(C=O)NN=C;REQYAQOAIIGHLU-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359581;MM359581;CC=C(C)C(O)C#CCN;UVCSELDVIDSVMQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359582;MM359582;C#CC#CC(C)C=CCO;XOUQROHNLBVKPM-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359583;MM359583;CC=C(C)C(O)C#CCO;MFRDBHYTJNNREL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359584;MM359584;C#CC#CC(C)C=CCF;LETNUCOINHQAKM-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359585;MM359585;CCC#CC(O)C(C)=CF;YVTAGBARLWXVNM-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359586;MM359586;C#CC#CC(N)C=CCN;MLDIAYSHFGECTL-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359587;MM359587;CC=C(C)C(F)C#CCC;BZTWOJLVGDPDEC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359588;MM359588;C#CC#CC(O)C=CCC;CIRHATWVTPMHHL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359589;MM359589;C#CC#CC(F)C=CCN;NPTHUHARBJCUIL-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359590;MM359590;CCC#CC(F)C(C)=CF;JEPGNMSKUDBUDZ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359591;MM359591;C#CC#CC(O)C=COC;RNLUOJKBLZAPPA-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359592;MM359592;CC(=CF)C(F)C#CCN;UOKQVMLBTWPDNZ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359593;MM359593;C#CC#CC(F)C=COC;QQTDGSZQZQYFOE-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359594;MM359594;NCC#CC(F)C(F)=CF;PGYCKRWLCJTPTQ-UHFFFAOYSA-N;149.12;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359595;MM359595;C=CC=CC(C)C#CCC;ARBFLODQWBVKKP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359596;MM359596;CCC#CC(C)C(C)=NN;DOQNDJNMGXEQIM-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359597;MM359597;C=CC=CC(C)C#CCN;CISPIWWXAGQOSO-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359598;MM359598;CC(=NN)C(C)C#CCF;QFJIMCUUWHDRRD-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359599;MM359599;CC(C#CCO)C=CC#N;AZOISJAMYZMPMP-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359600;MM359600;CCC#CC(C)C(C)=NO;BBZIKTNHUWRPQM-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359601;MM359601;C=CC=CC(O)C#CCC;MMJRGNGUBAVZMK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359602;MM359602;CC(=NO)C(C)C#CCN;SIBOKFGEVJUAAQ-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359603;MM359603;CCC#CC(O)C=CC=O;XKYRJVWOEHSWRW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359604;MM359604;C=C(C)C1(C)CC(O)C1;BKCZDQZENJSPAO-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359605;MM359605;CCC#CC(O)C=CC#N;RURABUGMCNNIEE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359606;MM359606;C=CC1(CC)CC(O)C1;YAKMJFXEMHCBNQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359607;MM359607;O=CC=CC(O)C#CCO;OZZVFOXDBOGFQL-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359608;MM359608;O=c1cnc(=O)n(O)[nH]1;KGKXPJLKIJLHMK-UHFFFAOYSA-N;129.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359609;MM359609;C=CC=CC(F)C#CCC;CMGUGBAFNVUGEU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359610;MM359610;CCCc1oc(=O)oc1O;ZGIICTXQDBDXSU-UHFFFAOYSA-N;144.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359611;MM359611;CCC#CC(F)C=CC=O;PYSHBRSGWDAFTE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359612;MM359612;NC(=O)NOCC(=O)O;UBCUAOXFACJDQR-UHFFFAOYSA-N;134.09;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359613;MM359613;CCC#CC(F)C=CC#N;SYQIKWPEVHUVAS-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359614;MM359614;C=CC#CC(C)C(C)=CC;UWFLCONDXRZYKV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359615;MM359615;C=NN=CC(C)C#CCN;ZZZQTCBLNXHVMK-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359616;MM359616;CC=C(C)C(C)C#CC#N;WTCRCYFNDKNYOP-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359617;MM359617;C=NN=CC(O)C#CCC;ZDNPUZRVWAPBCP-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359618;MM359618;CC(=CF)C(C)C#CC#N;LEPDUZUDNXYVBV-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359619;MM359619;C=NN=CC(O)C#CCN;BYKKUJFFQKFHMD-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359620;MM359620;CC=C(F)C(C)C#CC#N;QLIBINNRBPGUFL-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359621;MM359621;C=NN=CC(O)C#CCO;QRGWBLXTPQQPJE-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359622;MM359622;C=CC#CC(C)C(F)=CF;NCTWVZFGWIBCNO-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359623;MM359623;N=C1N=C(CF)NC1=N;YUPLRTGOBACKBC-UHFFFAOYSA-N;128.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359624;MM359624;C=CC=CC(C)C#CC#N;ZJHISUYSFDZHEM-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359625;MM359625;CC(C#CC#N)C(F)=CF;HUIZKQIEDBQRPQ-UHFFFAOYSA-N;141.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359626;MM359626;C=CC#CC(C)C=CC=O;MFDAWIVQCVZOTR-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359627;MM359627;CC=C(C)C(O)C#CC=O;OCHFKFCLAJTJMA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359628;MM359628;C=CC#CC(C)C=CC#N;YKXINPJCLXVTLJ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359629;MM359629;C=CC#CC(O)C(C)=CF;UIDFAULSSNDKEY-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359630;MM359630;CC(C#CC=O)C=CC#N;ORAVWJGGILDOCV-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359631;MM359631;CC=C(F)C(O)C#CC=O;XVDORGOGNMQGDO-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359632;MM359632;CC(C#CC#N)C=CC=O;OBALBOSLHKUXNQ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359633;MM359633;O=CC#CC(O)C(F)=CF;AACYMCULWRGXJF-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359634;MM359634;C=CC=CC(O)C#CC#N;BRTGMXQSCWHQBI-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359635;MM359635;N#CC#CC(O)C(F)=CF;JQDQKFFQNCUJIF-UHFFFAOYSA-N;143.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359636;MM359636;C=CC#CC(O)C=CC=O;LKZRXHZDAHSWTJ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359637;MM359637;C=CC#CC(F)C(C)=CC;GADCFKRMABUKOJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359638;MM359638;C=CC#CC(O)C=CC#N;ZFKXXPZPQIHDQL-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359639;MM359639;CC=C(C)C(F)C#CC=O;MLSYPPSBAWCLPS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359640;MM359640;N#CC=CC(O)C#CC=O;FBNZTPFOGKAFLN-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359641;MM359641;CC=C(C)C(F)C#CC#N;RDKFDJSVUVMURA-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359642;MM359642;N#CC#CC(O)C=CC#N;MDWXRKYIKBUKIB-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359643;MM359643;C=CC#CC(F)C(C)=CF;IVDDKCJOAHXJMO-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359644;MM359644;C=CC#CC(F)C=CC=C;DEWBCLJOHMXSLJ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359645;MM359645;C=CC#CC(F)C(F)=CC;IJKPNGQRWNHFKQ-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359646;MM359646;C=CC#CC(F)C=CC=O;YBDCTAVIJPUYLD-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359647;MM359647;CC=C(F)C(F)C#CC#N;TYBMGAPIVJFAPM-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359648;MM359648;N#CC#CC(F)C=CC#N;RFVRPPGWENYCEA-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359649;MM359649;C=CC#CC(F)C(F)=CF;BVHZZQTXUVLWOB-UHFFFAOYSA-N;146.11;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359650;MM359650;C=CC#CC(C)C=NN=C;ZAWQMSOAHCBQLD-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359651;MM359651;N#CC#CC(F)C(F)=CF;DOUPAAYCHPNPAI-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359652;MM359652;C=CC#CC(O)C=NN=C;NPHHJSPRKDPDKW-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359653;MM359653;C=CC#CC(C)C(C)=NO;WWXWFLKKLNHRAT-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359654;MM359654;C=NN=CC(O)C#CC=O;JDNXKUAOKKVCEN-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359655;MM359655;C=NNC=C(F)C(C)=O;ZYYONYBFICNFKY-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359656;MM359656;C=NN=CC(O)C#CC#N;XQEHXNUZSRXMPO-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359657;MM359657;CC(OCOC=O)C(=O)O;YZARSCPXIXIDHW-UHFFFAOYSA-N;148.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359658;MM359658;C=CC#CC(F)C=NN=C;BAZSWRWJKAHCTI-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359659;MM359659;C#CC#CC(C)C(C)=CC;URYJNYNVHSPDPE-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359660;MM359660;C#CC#CC(C)C=CC=O;LHCKGAGWEPBSIY-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359661;MM359661;C#CC#CC(C)C(F)=CC;SYGPMXFMRBQCIY-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359662;MM359662;C#CC#CC(C)C=CC#N;FEYCEAVHLUZXME-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359663;MM359663;C#CC#CC(O)C=CC=C;LZBYVWPRXPNYDI-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359664;MM359664;C#CC#CC(C)C(F)=CF;BUSZCYFRDVCJOX-UHFFFAOYSA-N;140.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359665;MM359665;C#CC#CC(O)C=CC#N;KLMZKNOTZWQNCC-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359666;MM359666;C#CC#CC(O)C(C)=CC;JFMSVXFPHVRNFO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359667;MM359667;C#CC#CC(F)C=CC=C;DEGBBLODCUIQOL-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359668;MM359668;C#CC#CC(O)C(F)=CC;KWIZRZKSRCZRTF-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359669;MM359669;C#CC#CC(C)C=NN=C;SWIUSEOXBCETCE-UHFFFAOYSA-N;132.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359670;MM359670;C#CC#CC(O)C(F)=CF;FPJYUVNOSDCTTG-UHFFFAOYSA-N;142.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359671;MM359671;C#CC#CC(O)C=NN=C;KKQAOEQHFXHJTL-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359672;MM359672;C#CC#CC(F)C(C)=CC;CQCPOUZCAWSBON-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359673;MM359673;C#CC#CC(F)C=NN=C;JBPIYKLWFRQNEM-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359674;MM359674;C#CC#CC(F)C(C)=CF;ZJJYZFKIOYUYOG-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359675;MM359675;C#CC=CC(N)C#CCC;AUCMNXDUCZLZOO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359676;MM359676;C#CC#CC(F)C(F)=CC;SHBARSFAKUMERJ-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359677;MM359677;C#CC=CC(N)C#CCN;SFTLCVFLXOTEAW-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359678;MM359678;C#CC#CC(C)C(C)=NO;KJOXVAUMSFJOBS-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359679;MM359679;C#CC=CC(O)C#CCC;OLAJNDHBERIJOV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359680;MM359680;C=CC(=C)C(O)C=CC;ZTRMBJCDUTYNPO-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359681;MM359681;C#CC=CC(O)C#CCF;RUIWKPGQTAOWIS-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359682;MM359682;C#CC(OC)C(O)C(=O)O;NYCMQCHRPXHPHF-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359683;MM359683;C#CC=CC(C)C#CC=O;AHPMLIURAMSLOX-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359684;MM359684;C=C(C#CCC)C(C)=CC;YLDPZOOHIDLDTB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359685;MM359685;C#CC=CC(C)C#CC#N;GAODRIBMKZWSSB-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359686;MM359686;C=C(C#CCN)C(C)=CC;KVGSDFOYXZFXEN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359687;MM359687;C#CC=CC(N)C#CC=C;GVWVYGFOEMUXCS-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359688;MM359688;C=C(C#CCO)C(C)=CC;ZRWHTWPFOWCHEM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359689;MM359689;C#CC=CC(O)C#CC=C;XFIVQJJAMTYKRT-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359690;MM359690;C=C(C#CCF)C(C)=CC;GHURRMRLLIXKKI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359691;MM359691;C#CC=CC(O)C#CC=O;KFBOGZPVODTSMO-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359692;MM359692;C=C(C#CCN)C(C)=CF;ASKKGLIYKMWXFK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359693;MM359693;C#CC=CC(F)C#CC=C;UTTGEWRURUGWBP-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359694;MM359694;C=C(C#CCO)C(C)=CF;QOAAIQMNTRSAGK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359695;MM359695;C#CC#CC(C)C=CC#C;TYNMTODUDCSHMP-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359696;MM359696;C=C(C#CCN)C(F)=CC;PGBGWDGDTFKNDU-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359697;MM359697;CCC#CC(=O)C=CCC;MFQHFIVMDOSKRV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359698;MM359698;C=C(C#CCC)C(F)=CF;MRYGGKIDXLJBRL-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359699;MM359699;CNC=CC(=O)C#CCF;NXYRVZYYUOZOPK-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359700;MM359700;CC=C(C)C(=O)C#CCC;YSEYBVPXVYGHBB-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359701;MM359701;C=C(C#CCC)C=COC;FQLVOBTVUOABTQ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359702;MM359702;CCC#CC(=O)C(C)=CN;RLFDLZBYFSLPFU-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359703;MM359703;C=C(C#CCO)C=COC;QIBUGSMDOFUEOY-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359704;MM359704;CC=C(F)C(=O)C#CCC;PPAVFTWVLSZOCF-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359705;MM359705;COC=CC(=O)C#CCF;NAMRPVITNBRRAM-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359706;MM359706;CC=C(F)C(=O)C#CCO;KDRRQIOEZAJWPZ-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359707;MM359707;C=C(C)c1ncc(N)o1;ORTJSWSMENTOKS-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359708;MM359708;NC=C(F)C(=O)C#CCF;ASGBGIKAKOFGNY-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359709;MM359709;C=C(C#CCC)C=NOC;QLPDUFCSICGAOY-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359710;MM359710;O=C(C#CCO)C(F)=CF;TWVLXUMBTTWDRI-UHFFFAOYSA-N;146.09;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359711;MM359711;CCC#CC(=O)C=NOC;HHROADPANWAEAR-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359712;MM359712;C=C(C#CCC)C(C)=NN;YJNIMYLLMJTABA-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359713;MM359713;C=CC#CC(=C)C=CCC;QIRBGOFDQFHWBV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359714;MM359714;C=C(C#CCC)C(C)=NO;FHLMVXMIONHRQK-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359715;MM359715;C=C(C#CC#N)C=CCC;MJMFDAXPUKLHJJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359716;MM359716;C=CC#CC(=C)C(C)=CC;VKVGKKPEYOZYNI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359717;MM359717;C=C(C#CC#N)C=CCF;PGBNTRJAKLXFTF-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359718;MM359718;C=C(C#CC=O)C(C)=CC;PLRNQDKSXWPDEO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359719;MM359719;C=CC#CC(=O)C=CCC;UPWZXJUBTIBYMN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359720;MM359720;C=C(C#CC#N)C(C)=CC;OTDYOZFRTSRCHJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359721;MM359721;CCC=CC(=O)C#CC#N;BNPXMXMWPTZERJ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359722;MM359722;C=CC#CC(=C)C(C)=CF;CSTVEZYAQDLAOZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359723;MM359723;C=CC#CC(=O)C=CCF;ZAMKDRAAJQMNDR-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359724;MM359724;C=C(C#CC#N)C(C)=CF;VIZOFTSRBOLXDD-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359725;MM359725;O=CC#CC(=O)C=CCF;AOAOKYAETSOCQZ-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359726;MM359726;C=CC#CC(=C)C(F)=CC;MJSVRFKVBUYOPJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359727;MM359727;C=CC#CC(=O)C=COC;QTMXPUTVQGFNBT-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359728;MM359728;C=C(C#CC#N)C(F)=CC;YNEGFNZNAYNOQB-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359729;MM359729;COC=CC(=O)C#CC=O;CZHYFOHENAAQJY-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359730;MM359730;C=CC#CC(=C)C(F)=CF;RFTVTALBZRCVIC-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359731;MM359731;COC=CC(=O)C#CC#N;QXGVOAFWBSPRCZ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359732;MM359732;C=C(C#CC#N)C(F)=CF;JRLMWQVUIJUHFY-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359733;MM359733;C=CC#CC(=C)C=NNC;LWHRFIJDJMICRM-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359734;MM359734;C=CC#CC(=O)C(C)=CC;KTYJDZXNHUXDKI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359735;MM359735;C#CC1CC(C#C)C1O;CAEMIPHTTRMINW-UHFFFAOYSA-N;120.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359736;MM359736;C=CC#CC(=C)C=NOC;YJLLVIYPIBZMQY-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359737;MM359737;CC=C(C)C(=O)C#CC=O;RKSZBWANCRFSPN-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359738;MM359738;CON=CC(=O)C#CC#N;AXCVTUKBSBOBIN-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359739;MM359739;CC=C(C)C(=O)C#CC#N;RFFAIRZLTNAPEM-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359740;MM359740;C#CC#CC(=C)C=CCC;BEOFBWVKUKNKCO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359741;MM359741;C=CC#CC(=O)C(C)=CN;MCCFVURFQBLEQB-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359742;MM359742;C#CC#CC(=C)C=CCN;RXAWVXZSHHLFMO-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359743;MM359743;CC(=CN)C(=O)C#CC#N;YZVSBSMMXXBDOV-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359744;MM359744;C#CC#CC(=O)C=CCO;VGEZZAFDFYNPMN-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359745;MM359745;C=CC#CC(=O)C(C)=CF;FTSVRLVXFQBRRJ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359746;MM359746;C#CC#CC(=O)C=CCF;YSJTVPKRXHHMJL-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359747;MM359747;CC(=CF)C(=O)C#CC=O;HHNVFHADZUMJBU-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359748;MM359748;C#CC#CC(=O)C=CNC;HLOBGJHIPBHREZ-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359749;MM359749;CC(=CF)C(=O)C#CC#N;HULUKOKUMOQWEL-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359750;MM359750;C#CC#CC(=O)C=COC;RPROZDMBJKQXJJ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359751;MM359751;C=CC#CC(=O)C(F)=CC;ZTQIPFYYZQWHOB-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359752;MM359752;C#CC#CC(=C)C=NNC;VZFWYPBYUMQEKT-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359753;MM359753;CC=C(F)C(=O)C#CC=O;NMQHCHWGMQVJAY-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359754;MM359754;C#CC#CC(=C)C=NOC;NAJKVJJLTBOHHI-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359755;MM359755;CC=C(F)C(=O)C#CC#N;YIRJWAOITUIJQB-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359756;MM359756;C=CC=CC(=C)C#CCC;OCKVORFYHPQASW-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359757;MM359757;C=CC#CC(=O)C(F)=CN;VZCLWOZYRTZCPY-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359758;MM359758;C=CC=CC(=C)C#CCN;RMBOGGBQAFSVMS-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359759;MM359759;C=CC#CC(=C)C(C)=NN;DMBFFTLPTJIPOU-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359760;MM359760;C=CC=CC(=O)C#CCC;VAEKBTIWGRCIIU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359761;MM359761;C=CC#CC(=C)C(C)=NO;RCZFHCLWLWZMJK-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359762;MM359762;N#CC=CC(=O)C#CCO;XXDOXRYLJWFMKF-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359763;MM359763;C=C(C#CC=O)C(C)=NO;HUSWGMGLMNTXIU-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359764;MM359764;C=NN=CC(=C)C#CCC;JKWBZSQRBCFKQV-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359765;MM359765;C=C(C#CC#N)C(C)=NO;IHJTZWYRTPPVJQ-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359766;MM359766;C=NN=CC(=O)C#CCC;IWDUKUSGKNNSOH-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359767;MM359767;C#CC#CC(=C)C(C)=CC;CACDLFOJVPYEGC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359768;MM359768;C=NN=CC(=O)C#CCO;PDOYXJLLXGYFMF-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359769;MM359769;C#CC#CC(=C)C(C)=CF;HJZBXYRGPIXOOX-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359770;MM359770;C=NN=CC(=O)C#CCF;FNRACJKSRTYSFP-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359771;MM359771;C=CC=CC(=C)C#CC#N;AYQMAQHKZYMFQY-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359772;MM359772;C#CC#CC(=C)C(F)=CC;SHHHWVIKEWPEIB-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359773;MM359773;C=C(C#CC#N)C=CC=O;IVOMFBKSOWHTTH-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359774;MM359774;C#CC#CC(=C)C(F)=CF;GBXBLYIQOCJMMY-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359775;MM359775;C=CC#CC(=O)C=CC=C;JJHSUHIMXVUXSC-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359776;MM359776;C#CC#CC(=O)C(C)=CC;CPJVRKWNHZMZMX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359777;MM359777;C=CC#CC(=O)C=CC=O;AGOVSMSMKZZPNP-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359778;MM359778;C#CC#CC(=O)C(C)=CN;NGAHTSOLWUNXJP-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359779;MM359779;O=CC#CC(=O)C=CC=O;IOJFXFIBOLYPLM-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359780;MM359780;C#CC#CC(=O)C(C)=CF;FCXUIVWGFGYNJU-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359781;MM359781;N#CC=CC(=O)C#CC=O;VVZIQJIUWBQKIA-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359782;MM359782;C#CC#CC(=O)C(F)=CC;TVHBGAFGBNRPAH-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359783;MM359783;N#CC#CC(=O)C=CC=O;XOWPEODOOAJZAZ-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359784;MM359784;C#CC#CC(=O)C(F)=CN;BNDYGRAIKHADEI-UHFFFAOYSA-N;137.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359785;MM359785;C=CC#CC(=C)C=NN=C;SAAKZGWEALGGPF-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359786;MM359786;C#CC#CC(=C)C(C)=NN;UOSPFTJROPEYGK-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359787;MM359787;C=NN=CC(=C)C#CC#N;IEDJCYBUOULAQX-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359788;MM359788;C#CC#CC(=C)C(C)=NO;KIPLHFQDOJLYNC-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359789;MM359789;C=CC#CC(=O)C=NN=C;QCUDFUSHRINMDK-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359790;MM359790;CCCC=C(C)C(C)CC;CUHUKQPQDOMNNU-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359791;MM359791;C=NN=CC(=O)C#CC=O;OXFHSNMCMFWUHX-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359792;MM359792;CCC(C)C(C)=CCCN;OQYWYRFMDWKKSE-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359793;MM359793;C#CC#CC(=C)C=CC=C;UHKQDQIODHTHJK-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359794;MM359794;CCCC=C(C)C(C)CN;HYZKLPDNDJNDTA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359795;MM359795;C#CC#CC(=C)C=CC#N;INXUAAZUSBZBFK-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359796;MM359796;CC(=CCCO)C(C)CN;GZKFSCNMKGTBAN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359797;MM359797;C#CC#CC(=O)C=CC=C;KJMHDDKWQXIZNN-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359798;MM359798;CC(=CCCF)C(C)CN;MCMPVHAWKYWKML-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359799;MM359799;C#CC#CC(=O)C=CC#N;NZJKKTNKFUPWDG-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359800;MM359800;CC(=CCCN)C(C)CF;HHFGTIPFOOTUOL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359801;MM359801;C#CC#CC(=C)C=NN=C;VJLVOOLXJUUJFG-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359802;MM359802;CCC(N)C(C)=CCCN;JGQYYQJACXVMLK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359803;MM359803;C#CC=CC(=C)C#CCN;QLGIFZJMBWRSLY-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359804;MM359804;C#CC=CC(=O)C#CCO;OVQZSKXRNQBNJA-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359805;MM359805;CCC(N)C(C)=CCCF;UOMHFXDNRUXBRN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359806;MM359806;C#CC=CC(=C)C#CC#N;OERJHTQSRKTEAT-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359807;MM359807;CCCC=C(C)C(N)CN;VMRJRJZODBNABH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359808;MM359808;C#CC=CC(=O)C#CC=O;UIUHXOLVKIVEAU-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359809;MM359809;CC(=CCCN)C(N)CN;WKKAFJLEJLGDQB-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359810;MM359810;C#CC=CC(=O)C#CC#N;BZNDMNOFEDUJGD-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359811;MM359811;CC(=CCCF)C(N)CN;CGHVRQZMCPYJAK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359812;MM359812;C#CC#CC(=O)C=CC#C;FLGIANSNZRXLOK-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359813;MM359813;CCCC=C(C)C(N)CF;LRIQSVHZTIHKFU-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359814;MM359814;CCC#CC(C)C#CCC;RPVOJJIBIFNZEX-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359815;MM359815;CC(=CCCF)C(N)CF;BGSHIWZBYXZCKS-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359816;MM359816;CCC#CC(C)C#CCN;OLLHUMUYDOQEIP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359817;MM359817;N#CCCCC1(O)CC1;JIEDKHAFCMVLFT-UHFFFAOYSA-N;125.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359818;MM359818;CCC#CC(C)C#CCO;UGLMFZRPPCLECY-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359819;MM359819;C=CC1(C)CN1CC=O;OFDPVYAJEZZUCU-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359820;MM359820;CCC#CC(C)C#CCF;NOARUYAQEKYBLO-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359821;MM359821;CCCC=C(C)C(O)CN;OUAFMEAHXCXUJD-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359822;MM359822;CC(C#CCN)C#CCF;CHBBLFANGAVMJV-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359823;MM359823;CC(=CCCF)C(O)CN;CARNXFYVNSSXRK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359824;MM359824;CCCC=C(C)C(O)CO;VUQGGXZTFZCAEO-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359825;MM359825;NCC#CC(N)C#CCN;CMYVFWDLBYFKGW-UHFFFAOYSA-N;137.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359826;MM359826;CC(=CCCN)C(O)CO;CYQHPXYLVAMYJG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359827;MM359827;NCC#CC(N)C#CCO;IDPWDHUYCUFQLG-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359828;MM359828;CC(=CCCO)C(O)CO;SSVMVIRFEKQCJM-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359829;MM359829;NCC#CC(N)C#CCF;KAVISQKDAKAZNH-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359830;MM359830;CCCC=C(C)C(O)CF;NYDCTDGWEDAQAK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359831;MM359831;CCC#CC(O)C#CCC;XRXGPOYMQANQGF-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359832;MM359832;CCCC=C(C)C(F)CC;ZJRHCIGOQWRDPX-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359833;MM359833;CCC#CC(O)C#CCN;KMEOTRCVDXUXNH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359834;MM359834;CCC(F)C(C)=CCCN;NTIFVESUYQCKCP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359835;MM359835;CCC#CC(O)C#CCO;AQAZUOHFVSRBJR-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359836;MM359836;CCC(F)C(C)=CCCF;ZCCCBBKMNADIAI-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359837;MM359837;CCC#CC(O)C#CCF;USRRZOZFYDWNLR-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359838;MM359838;CCCC=C(C)C(F)CN;RADBUIOALSSSHP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359839;MM359839;NCC#CC(O)C#CCN;ULIIWFFUIHEMKM-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359840;MM359840;CC(=CCCO)C(F)CN;CVMLXNFDBWAUNL-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359841;MM359841;NCC#CC(O)C#CCO;JYBPQHIXGYKWBY-UHFFFAOYSA-N;139.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359842;MM359842;CC(=CCCF)C(F)CN;FCLNETZQIZMGNW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359843;MM359843;OCC#CC(O)C#CCO;OPLCFRISDANHAX-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359844;MM359844;CC(=CCCN)C(F)CF;JXQMHZQAMMSPQW-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359845;MM359845;OCC#CC(O)C#CCF;KDTJUAYVTBAIHJ-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359846;MM359846;CC(=CCCF)C(F)CF;FOKAFPNAJIOJDH-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359847;MM359847;OC(C#CCF)C#CCF;FDCHGLBAZAVKLL-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359848;MM359848;CCCC=C(F)C(C)CC;HPQTZDUXYXPTEC-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359849;MM359849;CCC#CC(F)C#CCC;OYSVUHWESSHBLD-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359850;MM359850;CCC(C)C(F)=CCCN;AHGCESNRCYFFBM-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359851;MM359851;CCC#CC(F)C#CCN;BTCVORROUXIUAH-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359852;MM359852;CCCC=C(F)C(C)CN;LJCFKMNGZMZGDH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359853;MM359853;CCC#CC(F)C#CCO;BTVCMCHAMMWSGL-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359854;MM359854;CC(CN)C(F)=CCCN;LIELPBITEYEYRU-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359855;MM359855;CCC#CC(F)C#CCF;VINYSFGPDPYEIU-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359856;MM359856;CC(CN)C(F)=CCCF;SZXGXYNFXXURTG-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359857;MM359857;NCC#CC(F)C#CCN;OIVXZYKYFYWSNP-UHFFFAOYSA-N;140.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359858;MM359858;CC(CF)C(F)=CCCN;GEHGLHPHVRXULU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359859;MM359859;NCC#CC(F)C#CCF;SLFQDXKFCRIMQR-UHFFFAOYSA-N;143.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359860;MM359860;CCCC=C(F)C(N)CC;NRCAETOKKCWQEZ-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359861;MM359861;OCC#CC(F)C#CCO;PDUICONJKPXCSK-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359862;MM359862;CCC(N)C(F)=CCCF;BYXYUAACJUVDNP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359863;MM359863;OCC#CC(F)C#CCF;HIIOKCDLJDTZPY-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359864;MM359864;CCCC=C(F)C(N)CN;MSCUKIRTNMYTKR-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359865;MM359865;C=CC#CC(C)C#CCC;YRKZNCOYNNGOBD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359866;MM359866;NCC(N)C(F)=CCCO;YLUAEWGNZMRDMJ-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359867;MM359867;CCC#CC(C)C#CC=O;FCUZQJXJPNYZGX-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359868;MM359868;NCC(N)C(F)=CCCF;GJUWKRCEBDKBKF-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359869;MM359869;CCC#CC(C)C#CC#N;QRXSPXWSTSMMTB-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359870;MM359870;NCCC=C(F)C(N)CO;KKYBGCCEIDMHFS-UHFFFAOYSA-N;148.18;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359871;MM359871;C=CC#CC(C)C#CCN;VBSMXGKPZULKTH-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359872;MM359872;NCCC=C(F)C(N)CF;PLQIFEPJNPHLHJ-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359873;MM359873;C=CC#CC(C)C#CCO;BEBHMMCOSFHFIX-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359874;MM359874;CCCC=C(F)C(O)CC;HKYMSQAGXJMHAQ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359875;MM359875;CC(C#CC=O)C#CCO;BBHCBKGOTVORQP-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359876;MM359876;CCC(O)C(F)=CCCO;CCFKABKRXBIVJX-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359877;MM359877;CC(C#CC#N)C#CCO;XXFKISOBULCIJK-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359878;MM359878;CCC(O)C(F)=CCCF;WYMFIZJADSVZPE-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359879;MM359879;C=CC#CC(C)C#CCF;NIJYAXLLQUGITC-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359880;MM359880;NCC(O)C(F)=CCCF;IOARSGZZAPFYHK-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359881;MM359881;CC(C#CC#N)C#CCF;MXASKGXTAUNDSE-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359882;MM359882;NCCC=C(F)C(O)CF;WRQASPJKHPKTPJ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359883;MM359883;C=CC#CC(N)C#CCN;UWVFTWUMXVAJGO-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359884;MM359884;NCCC=C(F)C(F)CN;AXKPCYCUJUAHDM-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359885;MM359885;C=CC#CC(O)C#CCC;QQJZPFVZGJFBBM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359886;MM359886;NCC(F)C(F)=CCCF;WGEYVCSHDJTIKW-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359887;MM359887;CCC#CC(O)C#CC=O;ZTAYHIYZMQYIRI-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359888;MM359888;CCC(C)C(C)=CCNC;PFTZSOGCTJRQNZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359889;MM359889;CCC#CC(O)C#CC#N;HLKKFUBNSUKPOQ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359890;MM359890;CNCC=C(C)C(C)CN;WDUJDUBLUGVXJR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359891;MM359891;C=CC#CC(O)C#CCO;YOVUVEZBBOLCBR-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359892;MM359892;CNCC=C(C)C(C)CO;OSSHOKYKJOAQFJ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359893;MM359893;C=CC#CC(O)C#CCF;OXSJPQJVAXRZPC-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359894;MM359894;CNCC=C(C)C(C)CF;CLXJQJCOTCIFLN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359895;MM359895;C=CC#CC(F)C#CCC;XATMOCOUIKLTCN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359896;MM359896;CCC(N)C(C)=CCNC;PJSQCJXTQCCWDU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359897;MM359897;CNCC=C(C)C(O)CO;MWLDUBOFIZQUEX-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359898;MM359898;CCC#CC(F)C#CC=O;HPLZSNNDPMXXQJ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359899;MM359899;CCC(F)C(C)=CCNC;RYKKIFJUQXCINP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359900;MM359900;CCC#CC(F)C#CC#N;AKTUAWQAMOCGPS-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359901;MM359901;CNCC=C(C)C(F)CN;QCSFSVBXMSJFKD-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359902;MM359902;C=CC#CC(F)C#CCN;KDRYHLVYWIIUFA-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359903;MM359903;CNCC=C(C)C(F)CF;VWYHIPYADFCBIR-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359904;MM359904;C=CC#CC(F)C#CCO;NEBQANFPEMUIRY-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359905;MM359905;CCC(C)C(F)=CCNC;IEASOAQIINXKET-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359906;MM359906;C=CC#CC(F)C#CCF;ANCMICYGPGBEMV-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359907;MM359907;CNCC=C(F)C(C)CF;FMSYBAMMPKMDDE-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359908;MM359908;N#CC#CC(F)C#CCF;VJSBNRUDQVIJAD-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359909;MM359909;CNCC=C(F)C(N)CN;XMIBLCFUYHRDHG-UHFFFAOYSA-N;147.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359910;MM359910;C#CC#CC(C)C#CCC;QNMVHWUXSBXPQA-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359911;MM359911;CNCC=C(F)C(N)CF;GKYUUYOAKAEMPE-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359912;MM359912;C#CC#CC(C)C#CCN;JGWIQTNLGBJDKA-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359913;MM359913;CCC(O)C(F)=CCNC;LFMGQQXXDJGUIC-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359914;MM359914;C#CC#CC(C)C#CCO;UVLBDXUWDFJZPH-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359915;MM359915;CNCC=C(F)C(F)CN;CVILXACVIMLOSS-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359916;MM359916;C#CC#CC(C)C#CCF;UIQYVMOIPOZVCP-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359917;MM359917;COCC=C(C)C(N)CN;ZOFXRNZRTUXXSU-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359918;MM359918;C#CC#CC(O)C#CCC;PVMLEPRELKWJFW-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359919;MM359919;COCC=C(C)C(F)CN;NARXYPLRNAAHRK-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359920;MM359920;C#CC#CC(O)C#CCF;BRGKHGWJTUIJRZ-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359921;MM359921;COCC=C(F)C(C)CN;QSYHSNHSLSZGHE-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359922;MM359922;C#CC#CC(F)C#CCC;BLENFAADPWMTIJ-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359923;MM359923;CCCC=C(C)C(C)NC;JMULCRJPQHGYRX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359924;MM359924;C#CC#CC(F)C#CCN;BPYLIITZEZUXCR-UHFFFAOYSA-N;135.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359925;MM359925;CNC(C)C(C)=CCCF;AQXLOBSNFZERJZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359926;MM359926;C#CC#CC(F)C#CCO;BTEGQZWMDKCWDW-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359927;MM359927;CNC(C)C(F)=CCCN;WLQMGBGEILCOTI-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359928;MM359928;CNCC=C(C)C(C)NC;KWAYVQJFMKNADK-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359929;MM359929;C#CC#CC(F)C#CCF;MOVOHZFEYCKYPN-UHFFFAOYSA-N;138.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359930;MM359930;C=CC#CC(C)C#CC=C;FIGVIIUTMQXVAX-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359931;MM359931;COC(C)C(C)=CCCO;AQWKKLYNFXNFOR-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359932;MM359932;COC(C)C(F)=CCCN;FXMBNFXYPROGIV-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359933;MM359933;C=CC#CC(C)C#CC=O;OGLFBOZYJJUQFU-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359934;MM359934;CNCC=C(C)C(C)OC;IYRYINUFNPHVNQ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359935;MM359935;C=CC#CC(C)C#CC#N;ILWAHBJSUGJJKQ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359936;MM359936;CCOC=C(C)C(N)CN;HVGZQRHITCSPRB-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359937;MM359937;CC(C#CC=O)C#CC=O;MBJFPSJQNKLHRX-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359938;MM359938;CCOC=C(C)C(O)CF;UVEZFYNCLWIPRD-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359939;MM359939;C=CC#CC(O)C#CC=C;XMCOBOGCWRGOFH-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359940;MM359940;CCOC=C(C)C(F)CO;VTIUCCSJZZJKPT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359941;MM359941;C=CC#CC(O)C#CC#N;QECPCJGTMSFBOD-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359942;MM359942;CCOC=C(F)C(F)CO;KICZRESEPLPNBI-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359943;MM359943;N#CC#CC(O)C#CC=O;PHHREMOHNDJPDU-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359944;MM359944;CCNN=C(C)C(N)CC;FBJQIZRCLGVYIE-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359945;MM359945;C=CC#CC(F)C#CC=C;NVBGBPGGJOSNLS-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359946;MM359946;CCc1[nH]nc(N)c1C;KPWCURLGTSCHNE-UHFFFAOYSA-N;125.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359947;MM359947;C=CC#CC(F)C#CC=O;QEBKDHWAAUIUEF-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359948;MM359948;CCNN=C(C)C(C)OC;VWFAWDBKSXLFBQ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359949;MM359949;C=CC#CC(F)C#CC#N;MAMXNACNOUSLCZ-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359950;MM359950;CCON=C(C)C(C)CC;HKDSQBUFRILIRA-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359951;MM359951;N#CC#CC(F)C#CC=O;FJUGRNOUYZASKU-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359952;MM359952;CCON=C(C)C(C)CN;QABUJQBGALHFKF-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359953;MM359953;N#CC#CC(F)C#CC#N;GNXCPVQZBXEBSY-UHFFFAOYSA-N;132.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359954;MM359954;C=CC(C=CCC)CO;AZGHYRCIXWNDTC-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359955;MM359955;C#CC#CC(C)C#CC=C;RUSIFFXIQFYKOT-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359956;MM359956;CCON=C(C)C(N)CN;UVDUIYHZMWOBNA-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359957;MM359957;C#CC#CC(C)C#CC=O;DIPGIFMFIHRHPG-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359958;MM359958;C=CC1C(C)N1CC=O;BQJZVNUBKJFWQM-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359959;MM359959;CCON=C(C)C(F)CC;OIGJFMRCFVKAJF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359960;MM359960;C#CC#CC(C)C#CC#N;PUEIDHRNZUCRAO-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359961;MM359961;CON(C)C(=O)C1CN1;ARHKDXFYBYKUMI-UHFFFAOYSA-N;130.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359962;MM359962;C#CC#CC(O)C#CC=C;VSIRPSKNOCYLMU-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359963;MM359963;CCON=C(C)C(C)NC;QIUJPUJZVDOCPN-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359964;MM359964;C#CC#CC(O)C#CC#N;OPXGZZREPKWXLL-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359965;MM359965;CCON=C(C)C(C)OC;KLHKNLBTLBHNRI-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359966;MM359966;C#CC#CC(F)C#CC=C;IIOMQVMPXBGAEJ-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359967;MM359967;CCN(C)C(C)=NCCF;LTNDFXHPTHGFHH-UHFFFAOYSA-N;146.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359968;MM359968;C#CC#CC(F)C#CC=O;IHAQOSDNHGOGBT-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359969;MM359969;CCCN=C(C)N(N)CC;DFVSYTZHZSBJEX-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359970;MM359970;C#CC#CC(F)C#CC#N;YKWNWPWZTXQBJE-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359971;MM359971;CCCN=C(C)N(C)NC;RJTHVAJKMWDJJO-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359972;MM359972;C#CC#CC(C)C#CC#C;KGOQOQNDIKDYGF-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359973;MM359973;CC(C#N)=CC(C)(C)CO;LBIRBXAYPALCBI-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359974;MM359974;C#CC#CC(O)C#CC#C;CRCDMWZZJMIJDY-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359975;MM359975;CCON=C(C)N(N)CC;RNRWBPQKRYUSEA-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359976;MM359976;C#CC#CC(F)C#CC#C;GNXRQXBRTSNISX-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359977;MM359977;CC(CC=O)=NN(C)C=O;UICHOIHFSXZSHZ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359978;MM359978;C=C(C#CCC)C#CCC;OWZXBNBNFWMRNT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359979;MM359979;C=CCC=C(C)C(C)CC;IGDWVGPUNYCOCL-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359980;MM359980;C=C(C#CCC)C#CCN;SUHPQQVLSLMJEM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359981;MM359981;CCC(C)C(C)=CCC=O;QAJTWBVSPQZQSI-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359982;MM359982;C=C(C#CCC)C#CCO;WUGDMGDLRRKPBL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359983;MM359983;CCC(C)C(C)=CCC#N;FMHCVGFLSZODFD-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359984;MM359984;C=C(C#CCC)C#CCF;UEWIWLLBOJXPPE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359985;MM359985;C=CCC=C(C)C(C)CN;MOOFZSVQEDSVCX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359986;MM359986;C=C(C#CCN)C#CCF;RAFFLIUJNXUTTH-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359987;MM359987;CC(=CCC=O)C(C)CF;YTOIMBAWUUUBFC-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359988;MM359988;C=C(C#CCO)C#CCF;XUBLLRVCUZXLNW-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359989;MM359989;C=CCC=C(C)C(N)CF;XHPGGSBNCASLQM-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359990;MM359990;CC(O)CCC#CCC=O;VPJJGRLCQKVRAC-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359991;MM359991;CCC#CC(=O)C#CCC;GWLAQWRGYCYIOD-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359992;MM359992;C=NN=CCC(=O)C(=C)C;JKRHLICUDLKEHZ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359993;MM359993;CCC#CC(=O)C#CCO;XSDORQLECGUMKG-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359994;MM359994;CC1(C=O)C=CC(CO)C1;JWYVLPALBIMLCX-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359995;MM359995;CCC#CC(=O)C#CCF;GLAAUXKFKIYCKY-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359996;MM359996;C=CCC=C(C)C(O)CO;VYIDLYRFDFFPBF-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359997;MM359997;O=C(C#CCF)C#CCF;RIIOWTQILPKETP-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359998;MM359998;CC(=CCC=O)C(O)CO;BRHMDDZDNHPKKW-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM359999;MM359999;C=CC#CC(=C)C#CCC;IONLAQWYGURHFE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360000;MM360000;CC(=CCC=O)C(O)CF;ATPNJLCMYCWTEQ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360001;MM360001;C=C(C#CC=O)C#CCC;WETXZJLLVAJOMB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360002;MM360002;C=CCC=C(C)C(F)CC;DYYNIIYNBAKCRB-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360003;MM360003;C=C(C#CC#N)C#CCC;NWZYBEMROYPPHI-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360004;MM360004;CCC(F)C(C)=CCC=O;VBMPFZJVCFLPLJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360005;MM360005;C=CC#CC(=C)C#CCN;VGJATDICJABATM-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360006;MM360006;C=CCC=C(C)C(F)CN;FSAFJDIZTDJWNN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360007;MM360007;C=CC#CC(=C)C#CCO;QMOQPSJKOLJWNK-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360008;MM360008;CC(=CCC=O)C(F)CF;VLGJQKFDDQOSJK-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360009;MM360009;C=CC#CC(=C)C#CCF;KXZCEMLTMFSCNH-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360010;MM360010;C=CCC=C(F)C(C)CN;DWVQECLOBHDOCZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360011;MM360011;C=C(C#CC#N)C#CCF;NTVYKGRHLRNFFE-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360012;MM360012;C=CCC=C(F)C(C)CO;WMZOMCBTLQSDEJ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360013;MM360013;C=CC#CC(=O)C#CCC;XFAYPYVHRZICBA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360014;MM360014;CC(CO)C(F)=CCC=O;PUIUPSDCWRCJGP-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360015;MM360015;CCC#CC(=O)C#CC=O;OMRRRHGKQBDLQT-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360016;MM360016;CC(CO)C(F)=CCC#N;GQZDAWMPJPTYEC-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360017;MM360017;CCC#CC(=O)C#CC#N;BLLHEEZFPFHTQK-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360018;MM360018;CC(CF)C(F)=CCC=O;QURLAXYOYGQTFR-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360019;MM360019;C=CC#CC(=O)C#CCO;XRSQHGCJBYQYIF-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360020;MM360020;C=CCC=C(F)C(N)CC;ZYADVKRNOHLQOI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360021;MM360021;C=CC#CC(=O)C#CCF;KGBYXUSWEZKPBQ-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360022;MM360022;CCC(O)C(F)=CCC#N;WADNAFQMSFSSOQ-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360023;MM360023;O=CC#CC(=O)C#CCF;NWNJGZRFONMSTM-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360024;MM360024;C=CCC=C(F)C(O)CO;KPFZUDXTGAWWDA-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360025;MM360025;C=CCC=C(F)C(F)CN;LYUAJCFJTRKSON-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360026;MM360026;N#CC#CC(=O)C#CCF;RYAOLEILLXUSDV-UHFFFAOYSA-N;135.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360027;MM360027;C=CCC=C(C)C(C)NC;NYEYUIVGCVLSMZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360028;MM360028;C#CC#CC(=C)C#CCC;WBYRURZRZDAVFK-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360029;MM360029;CNC(C)C(C)=CCC=O;WJEJZSKVQWYFQO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360030;MM360030;C#CC#CC(=C)C#CCN;QAXZPNCFENTMCY-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360031;MM360031;CNC(C)C(C)=CCC#N;KUANTPJJLWZQIE-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360032;MM360032;C#CC#CC(=C)C#CCO;LGHFIXIDETYLGE-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360033;MM360033;COC(C)C(C)=CCC=O;YQDRTZKQIBOVQX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360034;MM360034;C#CC#CC(=C)C#CCF;PCMNKBMBHGGBJA-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360035;MM360035;COC(C)C(C)=CCC#N;OWZPIQOHNZYDDQ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360036;MM360036;C#CC#CC(=O)C#CCC;JJHPQSDNBLOPTJ-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360037;MM360037;COC(C)C(F)=CCC#N;NOWSVQDRXIBBON-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360038;MM360038;C#CC#CC(=O)C#CCO;UKIVWWOISAWYDJ-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360039;MM360039;CCC(C)C(C)=CNC=N;UTGHNEFUNFLSPA-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360040;MM360040;C#CC#CC(=O)C#CCF;NXFRBGHPDOQCBZ-UHFFFAOYSA-N;134.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360041;MM360041;CC(=CNC=N)C(C)CN;XZRXOVSZNMYKJU-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360042;MM360042;C=CC#CC(=C)C#CC=C;IHWAIWRKDRFNMH-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360043;MM360043;CC(=CNC=O)C(C)CN;RAHCSKRPQZRKLW-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360044;MM360044;C=CC#CC(=C)C#CC=O;NDTNSNDODJNTLG-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360045;MM360045;CC(=CNC=N)C(C)CO;RHOYXAHSGKDQDT-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360046;MM360046;C=CC#CC(=C)C#CC#N;ALLIOPUSOGEIFJ-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360047;MM360047;CC(=CNC=N)C(C)CF;SAYXULIPFBANRQ-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360048;MM360048;C=C(C#CC#N)C#CC=O;ZOHHWPIQUZDZTE-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360049;MM360049;CC(=CNC=O)C(C)CF;UQSSNNNOLCAFBV-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360050;MM360050;C=CC#CC(=O)C#CC=C;AAFDZJCRFWIUBM-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360051;MM360051;CCC(N)C(C)=CNC=N;MLSQIIUGUJUICV-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360052;MM360052;C=CC#CC(=O)C#CC=O;DHZZUAJYYHDVKH-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360053;MM360053;CCC(N)C(C)=CNC=O;CJYNXKBVBFQXSM-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360054;MM360054;C=CC#CC(=O)C#CC#N;DOLLOEQKLFRKDD-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360055;MM360055;CC(=CNC=O)C(O)CO;UPRUUZNQYBQENI-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360056;MM360056;N#CC#CC(=O)C#CC=O;SGVJMEJDPFIVCY-UHFFFAOYSA-N;131.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360057;MM360057;CCC(F)C(C)=CNC=O;JOYUHSOABSXFMW-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360058;MM360058;C#CC#CC(=C)C#CC=C;OIJNCNFIVHVIBQ-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360059;MM360059;CC(=CNC=O)C(F)CN;RNCKZFRKTPIALS-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360060;MM360060;C#CC#CC(=C)C#CC=O;WGTJNZVVWGDYFR-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360061;MM360061;CC(CN)C(F)=CNC=N;JQWWZJFRRUZDDJ-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360062;MM360062;C#CC#CC(=C)C#CC#N;BKILENZTVKEJMK-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360063;MM360063;CC(CO)C(F)=CNC=N;ITMCIJOFTWUSAE-UHFFFAOYSA-N;146.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360064;MM360064;C#CC#CC(=O)C#CC=C;LKPCJTBOSQJQFJ-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360065;MM360065;N=CNC=C(F)C(N)CN;XSRTWAQGWHEYLL-UHFFFAOYSA-N;146.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360066;MM360066;C#CC#CC(=O)C#CC=O;LADIOGAEUYSVQS-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360067;MM360067;NCC(N)C(F)=CNC=O;PWHULACOTQYGHH-UHFFFAOYSA-N;147.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360068;MM360068;C#CC#CC(=O)C#CC#N;NKBYCXWPCZAHIN-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360069;MM360069;N=CNC=C(F)C(N)CO;JMIOHXPIVVLDNL-UHFFFAOYSA-N;147.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360070;MM360070;C#CC#CC(=C)C#CC#C;KKOXBCDLBDQJOI-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360071;MM360071;CCC(O)C(F)=CNC=N;BJJVASWBLZQSQK-UHFFFAOYSA-N;146.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360072;MM360072;C#CC#CC(=O)C#CC#C;KRPQMHWQTBQRTK-UHFFFAOYSA-N;126.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360073;MM360073;CCC(O)C(F)=CNC=O;HPVLZMSMCGILGV-UHFFFAOYSA-N;147.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360074;MM360074;CC(=CCCN)CCCN;SDXRTMYWQPIUPG-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360075;MM360075;CNC(C)C(C)=CNC=N;NUBHUJCUECSLAL-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360076;MM360076;CC(=CCCF)CCCF;RTVLVOTVXQOCHV-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360077;MM360077;CNC(C)C(C)=CNC=O;ZGIKQAOJQOIENX-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360078;MM360078;NCCC=C(F)CCCN;JEPKPVIQOJTJGJ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360079;MM360079;COC(C)C(C)=CNC=O;ADKLVVIVLHXKDP-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360080;MM360080;NCCCC(F)=CCCF;QRHDDSDKHFTWFB-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360081;MM360081;CCC(N)C(C)=COC=O;GZDZFKACFMEQDK-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360082;MM360082;OCCCC(F)=CCCF;LCTQSGCXXDNELZ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360083;MM360083;CC(=COC=O)C(O)CO;OXBJWXJDXBBSTR-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360084;MM360084;NCCC=C(F)CCCF;YNPMEYQJRFXUCV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360085;MM360085;CC(=COC=O)C(F)CF;OGSOTLABNDPQJF-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360086;MM360086;CNCC=C(C)CCCO;GJIHSLMVNOVUBI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360087;MM360087;C=COC=C(F)C(C)CC;ZLDQLWYJDUQDSO-UHFFFAOYSA-N;144.19;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360088;MM360088;C=COC=C(F)C(C)CN;IJWYQYMEBFEOFC-UHFFFAOYSA-N;145.18;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360089;MM360089;CNCC=C(C)CCCF;XDTQZTQPMIDDLA-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360090;MM360090;C=COC=C(F)C(O)CF;BVBBSLZNLBYPPX-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360091;MM360091;CNCC=C(F)CCCF;DKZATLWAQXPFES-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360092;MM360092;O=COC=C(F)C(O)CF;BJKQNLYKGIFMOX-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360093;MM360093;CNCCC(C)=CCCF;CKOFBMYNCFIQSX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360094;MM360094;NCC(F)C(F)=COC=O;HJLLGBQCQXXOOF-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360095;MM360095;CNCCC(F)=CCCF;DYUMRHLEGSGKAT-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360096;MM360096;C=COC=C(F)C(F)CO;MSPISQXYNWJZHR-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360097;MM360097;CCOC=C(F)CCCN;FLINQYZPCRLMQG-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360098;MM360098;CC(=NNC=N)C(C)CN;PZWNBVHDEREOTO-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360099;MM360099;CCCC=C(C)CNCC;XFRUESGAAZADHG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360100;MM360100;CC(=NNC=O)C(C)CN;AGJVDDNSRQZXDT-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360101;MM360101;CCNCC(C)=CCCN;LCYUHBYTYOZPJS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360102;MM360102;CC(=NNC=O)C(C)CO;LQZUVZQSGLCNNK-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360103;MM360103;CCNCC(C)=CCCO;LOFOIWHBPSYSLV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360104;MM360104;CC(=NNC=O)C(C)CF;MUYOOCVKTUKFND-UHFFFAOYSA-N;146.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360105;MM360105;CCNCC(C)=CCCF;JODNTAYWPQXCBJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360106;MM360106;CC(=NNC=O)C(O)CN;SUBRJDCQOZCVRC-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360107;MM360107;CCCCC(C)=NNCC;JQMHRAOYYWEKPK-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360108;MM360108;CC(=NNC=O)C(O)CF;XJRROWJSVSVADT-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360109;MM360109;CCNN=C(C)CCCN;DDMPUZOJQZRCPU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360110;MM360110;CCC(F)C(C)=NNC=O;YNDKJGGXQOOWBQ-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360111;MM360111;CCON=C(C)CCCN;NCBFHXWLNLSOLT-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360112;MM360112;CNC(C)C(C)=NNC=O;VSSPKRNBEHVGGD-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360113;MM360113;CC(C=O)C=NN1CC1;VUWXDEBSFSGAAR-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360114;MM360114;COC(C)C(C)=NNC=O;HCWUYZWOOPZDFU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360115;MM360115;CCON=C(C)CCNC;OCEFKUPRQHXJQX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360116;MM360116;CCC(C)C(C)=NOC=O;RTBNOSFBEWUUAX-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360117;MM360117;CCON=C(C)CCOC;LVDXIPPYXVBJTI-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360118;MM360118;CC(=NOC=O)C(N)CN;OSCPSIDMYXQGPL-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360119;MM360119;CCNCC(C)=NOCC;RGTWYISEWZSXCG-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360120;MM360120;CC(=NOC=O)C(N)CO;XFSCTICSYZWZSI-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360121;MM360121;CCNN=C(C)COCC;ZXNDBGINVNUYST-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360122;MM360122;C=CC(C=CC(C)C)CO;NSXIBKJXHICKAJ-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360123;MM360123;CCOCC(C)=NOCC;ZHTXGCPHDFUAOX-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360124;MM360124;CC(=NOC=O)C(O)CN;MTFAHAVTRMYDGZ-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360125;MM360125;CCCN=C(C)NCCN;MVHMLCAATZDEAO-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360126;MM360126;CC(=NOC=O)C(F)CO;IUDFKEKGYYKOHZ-UHFFFAOYSA-N;149.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360127;MM360127;CC(=NCCO)NCCO;JQSIIVUWGMMGPR-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360128;MM360128;CC(=NOC=O)C(F)CF;YFMWDVKKDMVCLD-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360129;MM360129;CCCN=C(C)NNCC;ARBJKLAASJDBLH-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360130;MM360130;COC(C)C(C)=NOC=O;BDMCJAKGWQQXOD-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360131;MM360131;CCNN=C(C)NCCN;CZHIDRHIGMXUBI-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360132;MM360132;CCN(C)C(C)=NCC#N;XKCKKDUDDJJMLE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360133;MM360133;CCNN=C(C)NCCO;VAVWAUMQAKKPAA-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360134;MM360134;C=CCN=C(C)N(N)CC;DBSHCGHOLQUNRH-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360135;MM360135;C#CC1(CO)CC(C)(C)C1;PULKUELEAALYQL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360136;MM360136;C=CC(C=CC(C)F)CO;BHSJDLMSCUNSEY-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360137;MM360137;CC(=CCCO)OCCN;SLTFQDBCHDORAS-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360138;MM360138;CCC(C=O)C=NN(C)C;DIUWLJLTRMWRIX-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360139;MM360139;CC(=CCCO)OCCO;AFOWMLJBKXFSFF-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360140;MM360140;CCN(C)C(C)=NOC=O;KDWFJDGLVQLKIQ-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360141;MM360141;C#CCC=C(C)C(C)CN;XMACNWLDPYAMKN-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360142;MM360142;CNCC=C(C)OCCO;GPVOAYCGFWGLIF-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360143;MM360143;CCC1(C=O)CC(=O)CN1;WAMSFHWNACTVDI-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360144;MM360144;CNCC=C(C)OCCF;ZAWNBLNKZVTKAA-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360145;MM360145;C=CC1(CC)C=CC(O)C1;JOAGNZXVJPUFFH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360146;MM360146;COCOC(C)=CCCO;XUGIVIDUWNLUSF-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360147;MM360147;C#CCC=C(C)C(F)CN;VOIDCBWJGOQUQR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360148;MM360148;CNCC=C(C)OCOC;IKIWWOSXZIFKMS-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360149;MM360149;C#CCC=C(C)C(F)CF;RPSGREKGWAHNJH-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360150;MM360150;CCOC=C(C)OCCN;LICIDFWNEDSJEA-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360151;MM360151;C#CCC=C(F)C(C)CN;OSYFLSROMYQPAB-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360152;MM360152;CCOC=C(C)OCCO;UMQPWCQNAOZIOQ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360153;MM360153;C#CCC=C(F)C(C)CO;ASLGBPZJGKJMMZ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360154;MM360154;CCON=C(C)OCOC;HNHQKWIOIOLNKJ-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360155;MM360155;C#CCC=C(F)C(C)CF;AZPXDIYENHUZLW-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360156;MM360156;C=CCC1=CC(C)(O)C=C1;IDXUYMRKLNTTRK-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360157;MM360157;C#CCC=C(C)C(C)NC;RZCAVQQEFJOQGZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360158;MM360158;CC(=CCC#N)CCCF;XUOBZQAECOPSLJ-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360159;MM360159;C#CCN=C(C)N(C)CC;KFSHMUAVVYGPID-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360160;MM360160;O=CCC=C(F)CCCO;YDBJSEVTUCQRLC-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360161;MM360161;C=CC(C)C(C)=CCCC;FSZWYNHFJYKGII-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360162;MM360162;N#CCC=C(F)CCCO;PAYXAHSIGMBWRU-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360163;MM360163;CC(=CCCO)C(C)C=O;MYCHLXHLOCAQQT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360164;MM360164;O=CCC=C(F)CCCF;LJVGLYYTCZMFHN-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360165;MM360165;CC(=CCCF)C(C)C=O;MTHJKSLSMYKADJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360166;MM360166;CNCCC(C)=CCC=O;OHEBRTABFKERPA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360167;MM360167;C=CC(N)C(C)=CCCC;GCOXZCVUWMQSOZ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360168;MM360168;CNCCC(F)=CCC=O;YTFNWWZJRSJZFU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360169;MM360169;C=CC(N)C(C)=CCCN;SPYONBSWEVMFAZ-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360170;MM360170;COCCC(F)=CCC#N;CHSWONUVEIMATM-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360171;MM360171;C=CC(N)C(C)=CCCF;QGOLSPJMKNHSKD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360172;MM360172;CC(=CNC=N)CCCN;AXUSJJSCQVHGHI-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360173;MM360173;C#CC#CCCC1(O)CC1;SMMMEXHDXFXMRP-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360174;MM360174;CC(=CNC=O)CCCN;SHWUXVZOZYMRAW-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360175;MM360175;N=c1nc(CF)c(=O)c1=O;CWTGBZXXZWZLBE-UHFFFAOYSA-N;142.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360176;MM360176;CC(=CNC=O)CCCF;AJSDSVOMLGEIKC-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360177;MM360177;CCCC=C(C)C(O)C=O;OHEADHKRCHQDEJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360178;MM360178;N=CNC=C(F)CCCF;SZLYFUCXQPURCL-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360179;MM360179;CCCC=C(C)C(O)C#N;RCKSUSUJGUUTDN-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360180;MM360180;CNCCC(C)=CNC=N;FKUWQOIHTYLRDS-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360181;MM360181;CC(=CCCO)C(O)C#N;BFHPVGGBJYFHTP-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360182;MM360182;CNCCC(C)=CNC=O;GOOCZYBDPPZYAI-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360183;MM360183;CC(=CCCF)C(O)C#N;RXGGUAUXPUIMMB-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360184;MM360184;COCCC(C)=CNC=N;HRIZJTVAFKUAIF-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360185;MM360185;C=CC(F)C(C)=CCCF;HFVQGQUUKUMEAF-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360186;MM360186;CC(=COC=O)CCCF;BYDHUWUCNREFRP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360187;MM360187;CCCC=C(C)C(F)C#N;WMUDHDVTBWXDLY-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360188;MM360188;NCCCC(F)=COC=O;KWLAECKQNXDIEJ-UHFFFAOYSA-N;147.15;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360189;MM360189;CC(=CCCO)C(F)C#N;IBBDZYYGRRCULT-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360190;MM360190;C=COC=C(F)CCCO;YPUWSLBMTHVEAH-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360191;MM360191;CC(=CCCF)C(F)C=O;NNFJIMYWTSTJBN-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360192;MM360192;CC(=CCCF)C(F)C#N;FAPGRKHYMACGST-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360193;MM360193;O=COC=C(F)CCCF;RJGFYJIURATEGW-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360194;MM360194;CNCCC(C)=COC=O;RQEGVTBLWLNIQH-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360195;MM360195;C=CC(C)C(F)=CCCN;ANWPJFWHGYSPFI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360196;MM360196;C=COC=C(C)CCOC;SFSXQPVAVIGXPA-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360197;MM360197;C=CC(O)C(F)=CCCF;BPPKGXBAJJYQNN-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360198;MM360198;C=COC=C(F)CCOC;UONNDPPYECHFFR-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360199;MM360199;N#CC(O)C(F)=CCCO;CCKWPLVJESHPER-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360200;MM360200;COCCC(F)=COC=O;IJAGMJJJMFGUKQ-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360201;MM360201;C=CC(C)C(C)=CCNC;XABHLADWKIVRJU-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360202;MM360202;CCNCC(C)=CCC=O;UXDZZNINYAYXPD-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360203;MM360203;CNCC=C(C)C(C)C=O;KKHWTNMNNZAFIE-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360204;MM360204;CNCC=C(C)C(F)C=O;OZPZZQYGQGGTNV-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360205;MM360205;CCNCC(C)=CNC=N;CUBKFNJLXAWLNI-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360206;MM360206;CNCC=C(C)C(F)C#N;PNVSOTWEUXCLML-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360207;MM360207;CCNCC(C)=CNC=O;UFTZTKUNSMKVRO-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360208;MM360208;C=CC(C)C(F)=CCNC;MVMRTEGIMLAJGD-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360209;MM360209;CCNCC(F)=CNC=N;OPVXZZQNNGMDMY-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360210;MM360210;CNCC=C(F)C(C)C=O;WLVCWALFIVYQFC-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360211;MM360211;CCNCC(C)=COC=O;KSGXEHAVSLLMIN-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360212;MM360212;CNCC=C(F)C(O)C#N;DQCJMFKMKVUDKQ-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360213;MM360213;CCOCC(C)=CNC=N;AVJMTIASIRQOPR-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360214;MM360214;COCC=C(C)C(O)C#N;IUTFFICTUOADFS-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360215;MM360215;CCOCC(C)=CNC=O;SXXLTBFKLHLFMO-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360216;MM360216;COCC=C(F)C(C)C#N;GJXJHPDYACAUTR-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360217;MM360217;CCOCC(F)=CNC=N;YCMTVRMPIWXBLC-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360218;MM360218;C=CC(C)C(C)=COCC;MOUKCVXGWBAICS-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360219;MM360219;CCOCC(F)=CNC=O;WKLYDPICKSSFKO-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360220;MM360220;CCOC=C(C)C(C)C#N;BBGAJSXWNOWGSU-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360221;MM360221;CC(CCCN)=NNC=O;FLOIELHJXPEKLA-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360222;MM360222;CCOC=C(C)C(O)C#N;HGIZTGVUVFCXGB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360223;MM360223;CC(CCCO)=NNC=O;SFNPJNBBUDEWMF-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360224;MM360224;C=CC(F)C(C)=COCC;FAPMTOCYYFGRJK-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360225;MM360225;CNCCC(C)=NNC=N;GNQLEJJYQXTWMJ-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360226;MM360226;C=CC(C)C(C)=NNCC;DRXNPMHJISAJLK-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360227;MM360227;CNCCC(C)=NNC=O;YXQVCLLBXDRKJM-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360228;MM360228;C=CC(C=CCCC)CO;GPGHSOFYOCFHRR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360229;MM360229;CC(CCCN)=NOC=O;LLCSUOUDTBIZAS-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360230;MM360230;C=CC(C)C(C)=NOCC;JQHZHFXZJJYVJO-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360231;MM360231;COCCC(C)=NOC=O;UMWDJGSWDCXUIP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360232;MM360232;C=CC(C=CCCF)CO;SPSALQCYCDREJT-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360233;MM360233;CCNCC(C)=NNC=O;QXUPJDQJWBVADQ-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360234;MM360234;C=CCC=CC(C=C)CO;YJYFGKLQKCCWGW-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360235;MM360235;CCON=C(C)C(O)C=O;ATXSZURSKWAWCO-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360236;MM360236;CCOCC(C)=NNC=O;AHNUJGRFMJLGSY-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360237;MM360237;C=CC(C=CCC=O)CO;SOVUMNBQIOQZAS-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360238;MM360238;CCOCC(C)=NOC=O;KPLIDLSGGCLKNQ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360239;MM360239;C=CC(C=CCC#N)CO;ZFLDBPPFNWEREP-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360240;MM360240;CCCN=C(C)NCC=O;JZVAGBZTFKMSIA-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360241;MM360241;C#CCC=CC(C=C)CO;AZDZQYURXOVCFY-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360242;MM360242;CC(=NCCF)NCC#N;VLTAWDWQDDLVLF-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360243;MM360243;CCCC=C(C)N(C)C=N;RXWLOYNVXQDEPZ-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360244;MM360244;CCCN=C(C)NNC=N;UNNMUSFXBBWPQE-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360245;MM360245;CC(=CCCO)N(C)C=N;MQDRQTCTNKIGSX-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360246;MM360246;CCNN=C(C)NNC=N;DIWPFCLDICUYBO-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360247;MM360247;CC(=CCCN)N(C)C=O;ONWWSZZANJRALD-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360248;MM360248;CCCOC(C)=CCC=O;RSHUBTNFVLNHHL-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360249;MM360249;CC(=CCCO)N(C)C=O;GZOKYRBWSBWNBK-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360250;MM360250;COCOC(C)=CCC#N;MTIUYOAZLVUPFU-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360251;MM360251;CCCC=C(C)N(N)C=N;VPSDGQUOSSGOQJ-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360252;MM360252;CC(=CNC=N)OCCO;UMQLHNMUMJKFDS-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360253;MM360253;CC(=CCCO)N(N)C=N;LTEBOKBBRDUIKQ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360254;MM360254;COCOC(C)=CNC=O;LQIROJNTXQVETP-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360255;MM360255;CC(=CCCF)N(N)C=N;BGKCRPYKFFLJBN-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360256;MM360256;C=COC=C(C)OCCN;VWMVYUCKZCBSKY-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360257;MM360257;CCCC=C(C)N(N)C=O;XBVWLAMCKDIXKH-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360258;MM360258;C=COC=C(C)OCCO;IVTQBSRROSDTIA-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360259;MM360259;CCCC=C(C)N(O)C=N;RFODOVQVUNJBJI-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360260;MM360260;CC(=COC=O)OCCO;QHETYSXLNAGUDL-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360261;MM360261;CC(=CCCN)N(O)C=N;DKDVBTRFLGYOSU-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360262;MM360262;COCOC(C)=COC=O;MQZONQOGEQLOQI-UHFFFAOYSA-N;146.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360263;MM360263;CC(=CCCO)N(O)C=N;UMPPPQARSKURTI-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360264;MM360264;C=CC(O)CC(=C)C#CC;YDBAPSNHIVQTGM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360265;MM360265;CC(=CCCF)N(O)C=N;PPJYIYZAAJUVRI-UHFFFAOYSA-N;146.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360266;MM360266;CCCC=C(C)N(O)C=O;HCIGOJBHYINGEZ-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360267;MM360267;CCCOC(C)=NNC=O;FKGUHRYOLGOPOL-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360268;MM360268;CC(=CCCO)N(O)C=O;NEJFWZORZMLGMD-UHFFFAOYSA-N;145.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360269;MM360269;CC(=NNC=N)OCCN;IJTQONLSKUPMLI-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360270;MM360270;CC(=CCCF)N(O)C=O;RSQFXAVZHUSNTN-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360271;MM360271;CC(=NNC=O)OCCN;VQWVFDHNGJRYOO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360272;MM360272;CNCC=C(C)N(C)C=N;OZADSRZQJMBIEI-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360273;MM360273;C=C(C)C(O)C=CC=CF;GTWFBMPAAISADI-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360274;MM360274;CNCC=C(C)N(N)C=N;WEASMCRPHUCMOI-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360275;MM360275;C#CC(=CC)CC(C)CO;HEROTZQVKYBPLY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360276;MM360276;CNCC=C(C)N(N)C=O;YWXVAYUIFBCRHB-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360277;MM360277;C#CCC=C(C)CCCN;IHUAAEMNFBSCOU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360278;MM360278;COCC=C(C)N(C)C=N;MGYWRLUFTMJIIY-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360279;MM360279;C#CCC=C(F)CCCF;BYUXORKOWAUQQW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360280;MM360280;COCC=C(C)N(C)C=O;CTCUROKADLZNIX-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360281;MM360281;C#CCNC(C)=NOCC;JIHFDCRZBAVTRG-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360282;MM360282;CCOC=C(C)N(C)C=N;JOBZRXXQFACTFZ-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360283;MM360283;CC(=CCCO)CCC=O;OOUYMJIRKWVZBB-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360284;MM360284;CCOC=C(C)N(C)C=O;JQWVNFZJRSQZBU-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360285;MM360285;CC(=CCCF)CCC=O;LPIFDKPJLPQGEF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360286;MM360286;CCOC=C(C)N(N)C=O;WYOCXBNYCOKARZ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360287;MM360287;CC(=CCCF)CCC#N;JGWDRHSRHYPBHH-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360288;MM360288;C=CN(C)C(C)=NCCC;SWBRBFJYRQNQCW-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360289;MM360289;N#CCCC(F)=CCCO;VPSIYFRJQJRPSS-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360290;MM360290;CCCN=C(C)N(C)C=N;AXYKKOJIRBZGIN-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360291;MM360291;O=CCCC(F)=CCCF;RXBPUOYRLPFRQI-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360292;MM360292;CC(=NCCN)N(C)C=N;YJEDPCZJNRLASD-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360293;MM360293;CNCC=C(C)CCC=O;QHXLDSMTVSXQDN-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360294;MM360294;CCCN=C(C)N(C)C=O;KFMSIGNKPLUFND-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360295;MM360295;COCC=C(F)CCC#N;IWDOMMFBJRAGTK-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360296;MM360296;CC(=NCCN)N(C)C=O;KWZCWSZPIYUKJN-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360297;MM360297;CC(=CCCN)CNC=N;ZPJOTNWPFRRJSP-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360298;MM360298;CC#CC=CC(CC)CO;KBNMDCUELVXJBO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360299;MM360299;CC(=CCCO)CNC=N;CWPWUAIMWHJDKL-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360300;MM360300;C=CN(N)C(C)=NCCC;VATMQCINUMJPDO-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360301;MM360301;CC(=CCCF)CNC=N;NEMPVFIDSJIOQV-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360302;MM360302;CCCN=C(C)N(N)C=O;AVEWZNWMZSDQHI-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360303;MM360303;CC(=CCCN)CNC=O;VDDVWFCWAAKJBK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360304;MM360304;C#CC(CF)N(C)CC=O;DJMYCYMZDIRJGJ-UHFFFAOYSA-N;143.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360305;MM360305;C#CC(C)(F)C1NC1C=O;LCMWNQGRLXIYAY-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360306;MM360306;C=CN(O)C(C)=NCCC;NMLMKKBGDMSKJZ-UHFFFAOYSA-N;142.2;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360307;MM360307;O=CNCC(F)=CCCF;HWSZGMZPVRUHPN-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360308;MM360308;C=NN(C)C(C)=NCCC;BOISVSKLEITUKO-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360309;MM360309;CNCC=C(C)CNC=N;PKXPHMFSKCHLPB-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360310;MM360310;C=CC1(CO)CC1CC=O;BPUFXEWLKYCELP-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360311;MM360311;CNCC=C(C)CNC=O;POQHJFRTUHYKAE-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360312;MM360312;C=CN(C)C(C)=NNCC;XQGUYMWXSRIRBB-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360313;MM360313;C#CC(=C)C(O)CCCC;VLOPJVJIBKWBHH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360314;MM360314;C=CN(N)C(C)=NOCC;WZBLZQGMWMQKNN-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360315;MM360315;COCC=C(F)CNC=O;NSMDJTHNGGNWIY-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360316;MM360316;CCON=C(C)N(N)C=O;BLJYTWSBBDUTAY-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360317;MM360317;C=NNCC(C)=CCCC;ZTSWLHCMRPLKGD-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360318;MM360318;C=NN(C)C(C)=NOCC;BAVSGQOHMQQWHP-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360319;MM360319;C=NNCC(C)=CCCN;HYDXMAFFEKRSGE-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360320;MM360320;C=CC(C)C(C)=CCC=O;CQLWCPJFUKXTQE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360321;MM360321;CCOC=C(C)CNC=N;XWQUHBKLJSKIFS-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360322;MM360322;C=CC(C)C(C)=CCC#N;IIQFXEGUBXBXHJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360323;MM360323;C=CC(O)C(=C)CC=CF;AUPNHKYRXBERRS-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360324;MM360324;C=CCC=C(C)C(C)C=O;ZIEQVTNIIPCVGV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360325;MM360325;CC(=CCCF)COC=O;VPQPLCWTEQSQDH-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360326;MM360326;C=CCC=C(C)C(C)C#N;AECCGSKIMJIQMV-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360327;MM360327;O=COCC(F)=CCCF;XIWGKVUYIBPVKN-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360328;MM360328;CC(=CCC=O)C(C)C=O;YUBWFQBWYIBAPP-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360329;MM360329;C=CCCC(C)=NNCC;MYHUEYLHTVYZKE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360330;MM360330;CC(=CCC#N)C(C)C=O;ZTOMYJVPKPDVOO-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360331;MM360331;CCNN=C(C)CCC#N;JAOPLRFWDVIOEO-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360332;MM360332;C=CC1(CC)CN1CC=O;BHUHJTAMRNPFHJ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360333;MM360333;CCON=C(C)CCC#N;RVTWGGYOJODHPO-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360334;MM360334;C#CC1=CC2CC2(O)C1=C;CMVQKLSBKVZDOW-UHFFFAOYSA-N;132.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360335;MM360335;CCON=C(C)CNC=N;ODEAAEBSECULRG-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360336;MM360336;CC(=CCC=O)C(O)C=O;SIBAZZJBJOMJAS-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360337;MM360337;C=CC(O)C(C)=CC=CC;JHZCKVNWJOYSNA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360338;MM360338;CC(=CCC#N)C(O)C#N;ZSXNUQRQUOVGIH-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360339;MM360339;C=NNCC(C)=NOCC;KPSUYZSBNFRGTC-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360340;MM360340;C=CCC=C(C)C(F)C=C;SHARYQMMMISDQE-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360341;MM360341;C=COCC(C)=NOCC;HVDFVQWYTCOUSY-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360342;MM360342;C=CC(F)C(C)=CCC#N;VNOJMTSIOABSCF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360343;MM360343;CCON=C(C)COC=O;RYHISZXVQSZIHC-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360344;MM360344;CC(=CCC=O)C(F)C#N;DYWANIZIALAFIO-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360345;MM360345;C=CC(C)C(F)=CCC=O;ISSBRIJLKBUBQL-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360346;MM360346;C=NOCC(C)=NOCC;MNXAQCZWQVGQAF-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360347;MM360347;C=CCC=C(F)C(C)C#N;YSUFQPOQZDTPGL-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360348;MM360348;CC(C=O)CC=NOC=O;MHKHWZMYCXHDFE-UHFFFAOYSA-N;143.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360349;MM360349;CC(C#N)C(F)=CCC#N;REDADAIUBJYIQX-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360350;MM360350;CCCC=C(C)OCC=O;KBQCVUPAYBDBBX-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360351;MM360351;C=CCC=C(F)C(O)C=C;FRZFJUORYWYLAT-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360352;MM360352;CCOC=C(C)OCC#N;PTRODEZFTOGEJN-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360353;MM360353;C=CC(C)C(C)=CNC=N;YYEKMAVFQMASLT-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360354;MM360354;C=CC1=CC(O)C(=C)C1C;JFXLKIQNCZTBCZ-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360355;MM360355;C=CC(C)C(C)=CNC=O;LAAOOGWIIHWONE-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360356;MM360356;C=CCOC(C)=NOCC;MSPPEXREFQOSSW-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360357;MM360357;CC(=CN=CN)C(C)C=O;UHHMZMIAORSHFH-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360358;MM360358;CCON=C(C)OCC#N;NKHLQBLPVQCYRP-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360359;MM360359;CC(=CNC=N)C(C)C#N;BAKXZZQGZRDWMP-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360360;MM360360;CCNN=C(C)ONC=O;OCYJHUWCFSUSGK-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360361;MM360361;C=CC(N)C(C)=CNC=N;PXEGUUIZJMZDPB-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360362;MM360362;C=CCCC(C)=CCC=O;AEKVNGHBVNBJMD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360363;MM360363;C=CC(N)C(C)=CNC=O;SOFSUEVIHDNVFE-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360364;MM360364;C=CCC=C(C)CCC=O;LMNOFCNYSARMCZ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360365;MM360365;C=CC(O)C(F)=CNC=N;QZGQJBUCRQCAJD-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360366;MM360366;CC(=CCC=O)CCC=O;VTXCXRMFNNUWEY-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360367;MM360367;C=COC=C(C)C(C)C#N;YFROTKIJPGERLD-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360368;MM360368;C=CCCC(F)=CCC=O;NCHMZDJUUINWGZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360369;MM360369;C=CC(N)C(C)=COC=O;HDRDBFYJQXUMMV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360370;MM360370;C=CCC=C(F)CCC=O;ZMGDPDAISJXBDT-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360371;MM360371;C=CC(O)C(C)=COC=O;QQKCGBXHWGKVNF-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360372;MM360372;C=CCCC(F)=CNC=O;BOQHJXBNAMNCCN-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360373;MM360373;C=COC=C(C)C(O)C#N;QIDKQBYQVBYKBN-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360374;MM360374;C=COC=C(C)CCC#N;MXHOWJKMWQKMKV-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360375;MM360375;CC(=COC=O)C(O)C#N;IVBGYZNGZFBDFP-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360376;MM360376;CC(=COC=O)CCC=O;QOYZJELABOUKQZ-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360377;MM360377;CC(=COC=O)C(F)C=O;YSXKGIFIUJTLDE-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360378;MM360378;CC(C#N)C(F)=COC=O;SQBXUFYQULPQFY-UHFFFAOYSA-N;143.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360379;MM360379;C=COC=C(F)CCC#N;BVMOSKNJOTYBGE-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360380;MM360380;N#CCCC(F)=COC=O;DDJIDICEXISEIG-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360381;MM360381;C=CC(C)C(C)=NNC=O;WDSQDMCTXYBIBQ-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360382;MM360382;C#Cc1nc(NC=N)no1;LFKKRSJSKWVKNW-UHFFFAOYSA-N;136.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360383;MM360383;CC(=CCC#N)CNC=O;AWKIXNGGVOBTOJ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360384;MM360384;C=CC(O)C(C)=NNC=O;KUGCVOJTZMQOJL-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360385;MM360385;C=CCC=C(F)CNC=O;PWVJGSDYSKDKCH-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360386;MM360386;C=CC1=CC(CO)CC1C;IRYDUFLPPCWXME-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360387;MM360387;N#CCC=C(F)CNC=O;XEPJATDVKSMQGB-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360388;MM360388;C=CC(F)C(C)=NNC=O;JJBOCFNXDVWTES-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360389;MM360389;C=CCC=C(F)CNN=C;MDISBEMFPRHVFA-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360390;MM360390;C=CC(C)C(C)=NOC=O;BPTCUBVWFWDAMH-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360391;MM360391;O=CNC=C(F)CNC=O;SFLCEOVSOUINMM-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360392;MM360392;CC(=NOC=O)C(C)C#N;PIIVHYODMKNWKE-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360393;MM360393;CC(=COC=O)CNC=N;GFLMRLCXVXLBNQ-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360394;MM360394;C=CC(N)C(C)=NOC=O;PPMJJIDJJJCRBJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360395;MM360395;C=CC#CC1=CCC(O)C1;UXRUJVPZPNBDGR-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360396;MM360396;C=Cc1n[nH]c(NC)c1N;KUEWAFTWAAEMDN-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360397;MM360397;C=COC=C(F)CNC=N;UZBSRWAMSMIYOU-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360398;MM360398;C=CCC=C(C)N(N)C=N;JXMPJULQUDJBAK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360399;MM360399;C=CC(C#N)NN=CC=O;RXHPSZAFRRXZEY-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360400;MM360400;C=CCC=C(C)N(N)C=O;RGBKUNBEALZUDK-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360401;MM360401;CC(=CCC=O)COC=O;JLLFHCJWKQFXQS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360402;MM360402;C=CCC=C(C)N(O)C=N;UPWBJPWRVJDFMX-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360403;MM360403;C=COCC(F)=CCC=O;SOACUBBCLNIJQM-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360404;MM360404;C=CCC=C(C)N(O)C=O;CNHQUIJABPTTPL-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360405;MM360405;C=CC(CO)CC#CCF;XZNKPQTXWKYTBB-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360406;MM360406;CC(=CNC=O)N(C)C=N;WJTVDVKNONORCH-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360407;MM360407;C=NOCC(F)=CCC#N;AUDGILAKJMRSBO-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360408;MM360408;C=C(C#CC)C1C(C)C1O;VZNSEGGNQYRVLX-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360409;MM360409;C=COCC(C)=CNC=O;BYBJERZOUMCTBC-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360410;MM360410;C=COC=C(C)N(C)C=N;NCGXQXQIQPQENT-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360411;MM360411;CC(=CNC=N)COC=O;XNKOTKPSVLRMBC-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360412;MM360412;CC(=COC=O)N(C)C=N;LESKANZFFRNHMY-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360413;MM360413;C=COCC(F)=CNC=N;HOUJEBIXKFHYOV-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360414;MM360414;C=COC=C(C)N(N)C=O;YRVDHYKEHJOIAX-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360415;MM360415;C=CCN=C(C)N(C)C=C;YANOXYLLMZEIDW-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360416;MM360416;CNC(C#N)CC#CC#N;YSGPNLWSHUAFNI-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360417;MM360417;C=CCN=C(C)N(C)C=O;PMOKIVBYFUFGBX-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360418;MM360418;CC(=COC=O)COC=O;IZOMFWKYXUQQLT-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360419;MM360419;C#CC#CC1C(C=O)N1C;INVHAOKMBFNVPC-UHFFFAOYSA-N;133.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360420;MM360420;C=COC=C(F)COC=O;PVMCXPFYJQRREG-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360421;MM360421;CC(=NCC#N)N(C)C=O;SFGNJZJIXOBFQH-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360422;MM360422;C=CC#CCC(C#N)=CN;KGSLXHRCESYPFG-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360423;MM360423;C=CCN=C(C)N(N)C=C;LUAWJYJMDLPRFH-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360424;MM360424;CC(CCC#N)=NOC=O;CRBNCKBKYQVBLP-UHFFFAOYSA-N;140.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360425;MM360425;C=CCN=C(C)N(N)C=O;FKRBOLPOBDVPOX-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360426;MM360426;C=COCC(C)=NOC=O;BXWQQEFETORTBM-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360427;MM360427;C=CN(C)C(C)=NOC=O;OFLCELATNCGOCO-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360428;MM360428;CC(COC=O)=NOC=O;INNYQLNZVJYBBC-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360429;MM360429;CC(=NOC=O)N(N)C=N;MGQZQKOOZIXYFM-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360430;MM360430;C=NOCC(C)=NOC=O;XPYQUOXKQMWNCZ-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360431;MM360431;CC(=NOC=O)N(N)C=O;JSYMCWFYFCBOGV-UHFFFAOYSA-N;145.12;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360432;MM360432;CC(=NCC#N)NNC=N;KACOLIDPNXBMHW-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360433;MM360433;C#CCC=C(C)C(C)C=C;ZIOPXUBJEHHGDL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360434;MM360434;CC(=NNC=O)NCC=O;CQILOAMKZMNKPR-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360435;MM360435;C#CCC=C(C)C(C)C=O;RJRSESXXIHIZPL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360436;MM360436;CC(=NNC=N)NNC=N;AEQNULMHEKHAOF-UHFFFAOYSA-N;142.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360437;MM360437;C#CCC=C(C)C(N)C=C;MKAJGICDNKAIBH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360438;MM360438;C#CC1(C#N)CN1CC=O;ZQCIWSFRYJPUEG-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360439;MM360439;C#CCC=C(C)C(O)C=O;QPSRVOQESNMUEF-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360440;MM360440;C=CCOC(C)=CCC=O;XMCYONLUSBAFLF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360441;MM360441;C#CCC=C(C)C(O)C#N;XSSSCBRVUAPJCT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360442;MM360442;C=CCC=C(C)OCC=O;RKCUVZJANBNLEP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360443;MM360443;C#CCC=C(C)C(F)C=C;MIISBUOBYWGPHR-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360444;MM360444;CC(=CCC=O)OCC=O;FYCSZMZSHKVMJH-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360445;MM360445;C#CCC=C(C)C(F)C#N;XDBZWYOIPHYPFP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360446;MM360446;C=COC=C(C)OCC#N;FGUZREMMYYJWIY-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360447;MM360447;C#CCC=C(F)C(C)C=C;JVMHWTMOSQXHKW-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360448;MM360448;CC1C(C=O)CCN1C=O;FBHNDYJBHYEUFR-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360449;MM360449;C#CCC=C(F)C(C)C=O;QBQZVGIINPGNKB-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360450;MM360450;C#CCNC(C)=NCC=O;UVLVYEKCRSZCQM-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360451;MM360451;C#CCC=C(F)C(O)C=C;UWYYKFZFUXCQHQ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360452;MM360452;C#CCN=C(C)NNC=N;PVUNYSVGASLUMP-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360453;MM360453;C#CCC=C(F)C(O)C=O;UXIAXSLSHKFWCU-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360454;MM360454;C#CCNC(C)=NNC=O;OBASTUUSFOTRKV-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360455;MM360455;C#CCC=C(C)N(O)C=O;HZYLAZTUANXRID-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360456;MM360456;C#CCCC(F)=CCCF;NIMHRNAPNZBSKI-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360457;MM360457;C#CCN=C(C)N(C)N=C;DLOQOUGZAANHED-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360458;MM360458;C#CCOC(C)=COCC;ABJUSSIUXDUSEO-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360459;MM360459;C#CC(C)C(C)=CCCN;BQAYGSQQWPEUJT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360460;MM360460;CCC(C=O)C1CN1C=O;LAROLEWLHTVFPD-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360461;MM360461;C#CC(C)C(C)=CCCF;PMMARHIXHAEFIF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360462;MM360462;C#CC(N)C(C)=CCCC;WTUVVNDGDLWMMZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360463;MM360463;C#CCOC(C)=NOCC;QFIWNYHRMXSHLI-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360464;MM360464;C#CC(O)C(C)=CCCC;BOVMGRRCPQTDQB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360465;MM360465;C#CCCC(C)=NNC=O;YKLAGMSUSKWMDK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360466;MM360466;C#CC(F)C(C)=CCCN;NKQWROQQPCDOLA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360467;MM360467;C#CCOC(C)=COC=C;IMWBKBUYZDIIMY-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360468;MM360468;C#CC(C)C(F)=CCCN;RTJWEYZEGBELLZ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360469;MM360469;CN=CNN=c1ocno1;HNVSGFYJBXBTAH-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360470;MM360470;C#CC(C)C(F)=CCCF;PKWVAGOLQUKYLN-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360471;MM360471;C#CCOC(C)=NOC=O;ADBPFMJLUXETNF-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360472;MM360472;C#CC(O)C(F)=CCCO;MODJYXWSSFRWEB-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360473;MM360473;C#CCC=C(F)CCC#C;NBVYIFZAGRFWFW-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360474;MM360474;C#CC(F)C(F)=CCCF;SGTUYVLEBCLUOX-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360475;MM360475;CCNCC(C)=CC=NN;ALMXJHIEXGIFIZ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360476;MM360476;C#CC(C)C(C)=CCNC;JYEFDPSCBCMRJI-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360477;MM360477;CCNCC(C)=CC=NO;DTBCOPOLUJNNNS-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360478;MM360478;C#CC(F)C(C)=CCNC;OFARZTMMRBLQQH-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360479;MM360479;CCNCC(N)=CC=NN;UPBALRVIEZTWLZ-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360480;MM360480;C#CC(C)C(F)=CCNC;GJPWAOBDSASKQX-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360481;MM360481;CCNCC(N)=CC=NO;MBLLSKQIIBUEEW-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360482;MM360482;C#CC(O)C(F)=COCC;MSSBNVDHBWTDAA-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360483;MM360483;CC=NN=C(C)CCNC;RBXUCFXCRGDVOK-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360484;MM360484;C#CC(C)C(C)=NOCC;OEHULJRRTWMEME-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360485;MM360485;CC=NN=C(C)CCOC;HSPUQWZMQTVPQJ-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360486;MM360486;C#CC(O)C(C)=NOCC;NMFRLOHQUUNMEF-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360487;MM360487;CC=NN=C(C)COCC;LXUZGBCPNSAHRW-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360488;MM360488;C#CC(C)C(C)=CCC=O;JOMZJGFRTPAZFA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360489;MM360489;N=C(C=CNO)NCCN;OJCURDRKGWBCAE-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360490;MM360490;C#CC(C)C(C)=CCC#N;UOCXDIJOZLLHGY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360491;MM360491;N=C(C=CNO)NCCO;NBGHAPBFRWICHL-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360492;MM360492;C#CC(N)C(C)=CCC=C;FEJQZBQQRUGMRF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360493;MM360493;CC(=NC=NO)NCCO;VAEJJDBXKBWDAH-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360494;MM360494;C#CC(O)C(C)=CCC=C;RIAUIEVPAUEOEL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360495;MM360495;CCC(C)(C)CCO;IFDHMBHPLKHMOY-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360496;MM360496;C#CC(F)C(C)=CCC=O;CRXNOOFZSZFKPI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360497;MM360497;N=CNN=C(N)NCCO;GPRDCOFSGYZKRI-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360498;MM360498;C#CC(C)C(F)=CCC=C;GIGAYFSNTUDWHN-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360499;MM360499;CCNNC(C)=NC=NO;KKBPENRPWRPFTM-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360500;MM360500;C#CC(C)C(F)=CCC=O;FVSKDVGDVWROJI-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360501;MM360501;C#CCC(=C)C(C)O;DBKNKMUUOBNOQU-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360502;MM360502;C#CC(C)C(F)=CCC#N;LRZJYFGIHXDRBG-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360503;MM360503;C#CC(C)C(C)=CNC=O;RSQNSQJSLWMWPQ-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360504;MM360504;CC(C)(CCO)CCO;CFEPFAMBMGCTQM-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360505;MM360505;C#CC(N)C(C)=CNC=N;ZSCQOPBLJBVRJR-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360506;MM360506;CC(C)C(C)(C)CCO;OIPMJJVCOSACDS-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360507;MM360507;C#CC(F)C(C)=CNC=N;VYFQMRHFPUQUFD-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360508;MM360508;CC(=CC=NN)OCCF;MLQAELLWGVFWQM-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360509;MM360509;C#CC(F)C(C)=CNC=O;VLKAHAORPKUHGP-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360510;MM360510;COCOC(C)=CC=NN;MSYAVPNCUQHBMY-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360511;MM360511;C#CC(C)C(F)=CNC=N;BXBUFGLJROWQGD-UHFFFAOYSA-N;140.16;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360512;MM360512;CC=NN=C(C)OCCC;NYLBDRROFMVPBA-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360513;MM360513;C#CC(F)C(F)=CNC=N;CBHJGOORWXGJSJ-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360514;MM360514;CC=NN=C(C)OCCN;FSMKFLFTADDGDD-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360515;MM360515;C#CC(C)C(C)=COC=O;MTZZVNPFBYZGGL-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360516;MM360516;CC=NN=C(C)OCCO;YPEUOCDJMKDMIT-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360517;MM360517;C#CC(F)C(C)=COC=O;LCDYAOUBRQUNOO-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360518;MM360518;CC=NN=C(C)OCOC;CKRFSRSXOKBGGU-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360519;MM360519;C#CC(C)C(F)=COC=C;SYYQVEKIOPFVPN-UHFFFAOYSA-N;140.16;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360520;MM360520;CC(=CC=CF)CCC=O;GPFQGFYPJUZOJN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360521;MM360521;C#CC(O)C(F)=COC=C;CKAOQJWERMJGSN-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360522;MM360522;O=CCCC(F)=CC=CF;MZKVFMJEKSQCBL-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360523;MM360523;C=CC(C=CC1CC1)CO;OVPGYJPGJHVRAC-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360524;MM360524;CC(=CC=NO)CCC=O;BZOGROOZRSBMJG-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360525;MM360525;C#CCC=C(C)C(C)C#C;KOTRQQQDVWZMMS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360526;MM360526;C=C(CC(C)C)C(C)O;SHHVECGSRHPWLB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360527;MM360527;C#CCC=C(C)C(N)C#C;BXXLVZZMRLLIRC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360528;MM360528;O=CCCC(F)=CC=NO;ZNUFUJRDVHAZTQ-UHFFFAOYSA-N;145.13;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360529;MM360529;C#CCC=C(F)C(C)C#C;HIXCIYYPDWNCHC-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360530;MM360530;N#CCCC(F)=CC=NO;MZSBHWOQQXPRLA-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360531;MM360531;C=C(CC)C(C)=CCCN;VEFGUWWKXYCTIG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360532;MM360532;CC(=CC=CF)CNC=N;NHPNCTZEHICIPK-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360533;MM360533;C=C(CC)C(C)=CCCO;BOPPOLJXHSPALP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360534;MM360534;CC(=CC=NN)CNC=N;CBBIZFYYVDBHTE-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360535;MM360535;C=C(CN)C(C)=CCCN;DWLUYVDNDDLEIO-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360536;MM360536;N=CNCC(F)=CC=NO;QZKJETBKSXRDMF-UHFFFAOYSA-N;145.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360537;MM360537;C=C(CN)C(C)=CCCF;HLKUTFWMHHBRTI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360538;MM360538;CC(=CC(C)C)C(C)O;HROYYSHPCWDUJQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360539;MM360539;C=C(CO)C(C)=CCCC;WPMMRTMBYNQTRF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360540;MM360540;O=CNCC(F)=CC=NO;GCUHOOGFPBCYPZ-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360541;MM360541;C=C(CF)C(C)=CCCO;CNFVFLRDIRWRLB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360542;MM360542;C=NNCC(C)=CC=CC;MZWXHEFMEOIAOF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360543;MM360543;CCCC=C(C)C(=O)CC;CZCDYWBCSPOKBQ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360544;MM360544;CC(=CC=NO)COC=O;LRQRCVQIHXFXCJ-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360545;MM360545;CCC(=O)C(C)=CCCF;UGDPQKFYRYBNAN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360546;MM360546;CCC(C)(CC)CCO;XYUCPYMMHKJJSS-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360547;MM360547;CC(=CCCO)C(=O)CF;JOALJNKBKHUYQB-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360548;MM360548;CC=NN=C(C)CCC#N;IJWVZYDVFJXABP-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360549;MM360549;CC(=CCCF)C(=O)CF;ZQSVHBTZKHHLBE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360550;MM360550;C=NOCC(C)=NN=CC;ODAOFFCYQTYLRY-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360551;MM360551;C=C(CC)C(F)=CCCC;QQUUVBPNBYCWDW-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360552;MM360552;C#CC(=C)CC(C)CO;KYPISCXCVIYWKM-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360553;MM360553;C=C(CC)C(F)=CCCN;ZMPGCCVAHSIJFD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360554;MM360554;C#CC1(C=C)CC(O)C1;QRRIKMAMALFSOU-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360555;MM360555;C=C(CN)C(F)=CCCO;YXUWMRDMBSUPBX-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360556;MM360556;CC(=NC=NN)NNC=N;ICWNLLXLOMRCEB-UHFFFAOYSA-N;142.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360557;MM360557;C=C(CF)C(F)=CCCN;GBCAMYXLKCSUFI-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360558;MM360558;C=NOCCC(C)C=O;AEXAKXOOUATGIY-UHFFFAOYSA-N;129.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360559;MM360559;CCCC=C(F)C(=O)CO;NOVVQFWOYSQUJF-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360560;MM360560;N=CNN=C(N)NNC=N;XYTMEEAJBXTRBD-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360561;MM360561;O=C(CO)C(F)=CCCO;NTRJOENSHUMXMS-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360562;MM360562;N=CNN=C(N)NNC=O;NLCPLXPLLCSWLG-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360563;MM360563;C=C(CF)C(C)=CCNC;ALPHELNXJMQPSJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360564;MM360564;CC=CC=C(C)OCC=O;LCZJPVALVQUOMP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360565;MM360565;CCC(=O)C(C)=CCNC;RNEBVYKZSAZYJJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360566;MM360566;C=CCOC(C)=NN=CC;CODXTCJDKZTDRI-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360567;MM360567;C=C(CC)C(F)=CCNC;ZAZJNSLOTGOPHN-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360568;MM360568;CC=NN=C(C)OCC=O;ULFBNRUHKDDYQC-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360569;MM360569;C=C(CF)C(F)=CCNC;IIOFDMCVXXNYJB-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360570;MM360570;CC1(CO)CC1CC#N;XTPKTDAKSNAGDP-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360571;MM360571;CCC(=O)C(F)=CCNC;LEQLKVHLRDHBNC-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360572;MM360572;CC=NN=C(C)ONC=O;RTLBZOKRXBCDQR-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360573;MM360573;CNCC=C(F)C(=O)CO;DVTWEQWMQYOQRI-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360574;MM360574;CCNc1cn(C)nn1;NBZWRUICDOQXBE-UHFFFAOYSA-N;126.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360575;MM360575;C=C(CO)C(C)=CCOC;OQAULGZEYVWATN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360576;MM360576;C#CCCC(C)=NN=CC;KPVPQDPSAKQKEL-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360577;MM360577;CCCC=C(C)C(=N)NC;PHGIZSLROGLXHE-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360578;MM360578;C=C(CC1CC1)C(C)O;UHCGGXWXYGPZPY-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360579;MM360579;CCCC=C(C)C(=N)NN;GOEWYVPHAHSYQQ-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360580;MM360580;C#CCNC(N)=NNC=N;QRTNWXSBSBLUDE-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360581;MM360581;CC(=CCCO)C(=N)NN;KSWSGTYHGRUGCR-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360582;MM360582;CC(=CC1CC1)C(C)O;IZDRZMXLBPLVTO-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360583;MM360583;CC(=CCCF)C(=N)NN;JEGLSQVQMWHITQ-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360584;MM360584;C#CCOC(C)=NN=CC;BPKPKAJAGYYGKT-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360585;MM360585;CCCC=C(C)C(=N)NO;XPXRWSLSZRRXIA-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360586;MM360586;C#CC1=CC2(O)CC1C2;LWBXGKUKIGJFMH-UHFFFAOYSA-N;120.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360587;MM360587;CC(=CCCN)C(=N)NO;QLRIGKORJLNPJG-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360588;MM360588;CC#CC=C(C)OCOC;GNBDKPGNYKSCES-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360589;MM360589;CC(=CCCO)C(=N)NO;UCOBPTJFSWGGBT-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360590;MM360590;C=CC(C=CC1CO1)CO;HBDVOUJHSJNTCE-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360591;MM360591;CC#CC=C(F)CNC=N;YBMDYPVLTLOXTN-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360592;MM360592;CCC(C=O)C=NN1CC1;PYPNSQUDNHBFLT-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360593;MM360593;CC#CC=C(F)CNC=O;JVZNCKKCJAQBMI-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360594;MM360594;C=CC(=C)C(C)O;DIUFSYBLNCRTCR-UHFFFAOYSA-N;98.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360595;MM360595;NCCC=C(F)CC=CF;ILEHIXROPPVHRH-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360596;MM360596;CCCC=C(C)C(=O)NO;MKCWGMPBPWCJLV-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360597;MM360597;OCCC=C(F)CC=CF;LRHRENBPQSDIMA-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360598;MM360598;CC(=CCCN)C(=O)NO;INFAJBGZDKZRTC-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360599;MM360599;FC=CCC(F)=CCCF;OKCZOTYTPKNNNR-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360600;MM360600;CC(=CCCO)C(=O)NO;QKRYRQQNVPKPJK-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360601;MM360601;CC(=CCCN)CC=NO;QQGCFGONOHFZLH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360602;MM360602;C#CC=CC(C)(C)O;IMVJKYWETMJAAO-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360603;MM360603;CNCC=C(C)CC=NO;KQGNSTCMPGDNRA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360604;MM360604;O=C(NO)C(F)=CCCO;SKBCSBUGAPTLFZ-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360605;MM360605;CCON=C(C)CC=NO;OPFTZXPHHAIJMO-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360606;MM360606;CNCC=C(C)C(=N)NC;WPWZETQPLKHJGG-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360607;MM360607;CN=CNC(C)=CCCF;QSLMPNKQTZJSEM-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360608;MM360608;CNCC=C(C)C(=N)NN;BAESFWDHLXPXFS-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360609;MM360609;CCCC=C(C)N=CNN;FFMXWSOIYSJXSG-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360610;MM360610;CNCC=C(C)C(=N)NO;AXAFVXRKETWZRP-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360611;MM360611;CNCC=C(C)N=CNN;BQDJRMGBTGOTIM-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360612;MM360612;CNC(=N)C(C)=CCOC;BTFCVVPWBHLVSM-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360613;MM360613;CC=CN=C(C)NCCN;GXQQSZIHIGNYPK-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360614;MM360614;CC1(C)C=CC(O)C1;FIXNXSZNZDNVIM-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360615;MM360615;CCON=C(C)NC=CF;SYVQPSHRNGJYLC-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360616;MM360616;C=C(OC)C(C)=CCNC;KSPUTOABZBSZTE-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360617;MM360617;N#CCCC1(CO)CC1;NMCZYIZJXBIZFM-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360618;MM360618;COCC=C(F)C(=O)OC;KUSKDWODBNKCHI-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360619;MM360619;CNCC=C(C)OC=NN;MKYVQKUUMMYDDA-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360620;MM360620;CCNC=C(C)C(=O)CC;IJRBSFFYCMNFSJ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360621;MM360621;CC=C1C=CC2(O)CC12;VABRZFYLDVCJEN-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360622;MM360622;CCNC=C(F)C(=O)CO;VLQRDDVZPFKTIW-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360623;MM360623;COCC=C(C)OC=NO;SEFZTCZIERFYPW-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360624;MM360624;CCNC=C(C)C(=N)NC;KBPBKNMFCFDMPA-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360625;MM360625;CNc1cn(NC)nn1;SLBLMKOMWGZZBV-UHFFFAOYSA-N;127.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360626;MM360626;CCNC=C(C)C(=N)NN;NAFVRNBDNWONLW-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360627;MM360627;CCOC=C(C)OC=NO;GUKVUYJZMLTXQG-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360628;MM360628;CC1=CC(O)CC1C;IDNNSNJUAIJFCE-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360629;MM360629;C=NN(C)C(=O)C1CN1;WJHZYRJFXOTQMT-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360630;MM360630;CCNC=C(F)C(=O)NO;NTNDIOHNAQOSLJ-UHFFFAOYSA-N;148.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360631;MM360631;CC=COC(C)=NOCC;UYFXOPWSMBYEFR-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360632;MM360632;CCNC=C(C)C(=O)OC;MKYGLQCOEHOHLV-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360633;MM360633;C=CCC=C(C)CC=NO;SVIYALAJXNESHL-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360634;MM360634;C=C(CC)C(C)=COCC;XEUWDAHJRCONGY-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360635;MM360635;CC(=CNC=N)CC=CF;IDPVUODIDWUTAC-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360636;MM360636;C=C(CN)C(C)=COCC;AHCVMAZWKHKCHS-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360637;MM360637;CC(=CNC=N)CC=NN;GWVWXLVNCSUZEZ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360638;MM360638;C=C(CO)C(C)=COCC;MNBGGRCAHZXEGX-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360639;MM360639;CC(=CNC=N)CC=NO;WSEVTSQOHIPFMW-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360640;MM360640;CCOC=C(C)C(=O)CF;FJJULWCQKCCBAX-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360641;MM360641;CC(=CNC=O)CC=NO;UKJVXLKQMKJIRZ-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360642;MM360642;C=C(CO)C(F)=COCC;QXUWKEIZTKYALW-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360643;MM360643;N=CNC=C(F)CC=NN;TVQUUHXSLGWPJY-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360644;MM360644;CCOC=C(C)C(=N)NC;PHSWQRPDOYRMTH-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360645;MM360645;N=CNC=C(F)CC=NO;UNUAOYVHCOXFRF-UHFFFAOYSA-N;145.14;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360646;MM360646;CCOC=C(C)C(=N)NN;ZISRJNWQENEQJN-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360647;MM360647;C=COC=C(F)CC=NO;HHENTDZRFHCRSH-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360648;MM360648;CCOC=C(C)C(=N)NO;OYALMGXKCSLEPR-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360649;MM360649;CN=CNC(C)=CCC=O;VGEOXNKYDHJFLE-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360650;MM360650;C#CC1=CCC(O)C1;XKILSCGRWYQSMG-UHFFFAOYSA-N;108.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360651;MM360651;C=CCC=C(C)N=CNN;STDIBNZQDPGISM-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360652;MM360652;CCOC=C(F)C(=O)OC;ZJMJMDOJSWSTEG-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360653;MM360653;CC(O)CC(C)(C)CCO;QLXSWIFREIGVAB-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360654;MM360654;C=C(CC)C(C)=NNCC;UTFGGAYRLDNDNX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360655;MM360655;CC(=CNC=N)OC=CF;XEQCFSNILKASEX-UHFFFAOYSA-N;144.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360656;MM360656;CCNN=C(C)C(=O)CO;PVKGDWAITFXDLQ-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360657;MM360657;CC(=CNC=N)OC=NN;KVFRSYJQHDDKQG-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360658;MM360658;CCNN=C(C)C(=N)NC;LIBNNUAUKCDWFY-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360659;MM360659;CC(C)(CCO)CC(F)F;HKEYCRSWZIOQSQ-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360660;MM360660;C=C(OC)C(C)=NNCC;AKXWQENAOAYTQU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360661;MM360661;C=C(CC)C(C)=NOCC;LBEUWOCRHUDXNH-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360662;MM360662;CC(=CNC=O)OC=NO;RTVNMHDISNJSAL-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360663;MM360663;C=C(CN)C(C)=NOCC;XMZGWFQQYTTWSV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360664;MM360664;CC(C)(CCO)CCC=O;AFCIVHGWYHUCEF-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360665;MM360665;Nc1cc(CF)c[nH]1;NHQOPHDQMHXJMA-UHFFFAOYSA-N;114.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360666;MM360666;C=C(CC(C)CC)C(C)O;HBUJSFASQNWCPJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360667;MM360667;C=C(CF)C(C)=NOCC;YUYACSXMSVDIEP-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360668;MM360668;C=COC=C(C)OC=NO;SRDSEHXMTOPMMU-UHFFFAOYSA-N;143.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360669;MM360669;C=CC1C(C)C1CO;PUBUIAONXPEFRD-UHFFFAOYSA-N;112.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360670;MM360670;C=C(CC(C)CO)C(C)O;KEMMQFCAGVOSON-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360671;MM360671;CC#CC=CCC(C)O;CDHLJYWQCUMNCH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360672;MM360672;CC=COC(C)=NNC=O;RDEHJGYMWZGVAO-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360673;MM360673;C=C(OC)C(C)=NOCC;KGOYZEVMMODNDH-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360674;MM360674;CC(=NOC=O)OC=CF;NIYDJXZBADRQJX-UHFFFAOYSA-N;147.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360675;MM360675;CCON=C(C)C(=O)OC;YPWGNWMVIQUECJ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360676;MM360676;CC=NOC(C)=NOC=O;OOEVZJCVMICKTC-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360677;MM360677;C=CCC=C(C)C(=C)CN;FMOGGGOOOLOOIO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360678;MM360678;C#CCC=C(C)CC=CC;KTBCGDQQPDWRPN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360679;MM360679;C=CCC=C(C)C(=C)CO;PBECQONKKPCBJC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360680;MM360680;C#CCC=C(C)CC=NN;KKNGABBGRSZNQR-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360681;MM360681;C=C(CO)C(C)=CCC#N;CYUIIANQDCMXRY-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360682;MM360682;CC(=CC=NN)CC=CF;DRKIAUQDEYHRCB-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360683;MM360683;C=C(CF)C(C)=CCC=O;IGDXEMNIXCBACL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360684;MM360684;CC(=CC=NO)CC=CF;GPQYNQGYMRYDPP-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360685;MM360685;C=CCC=C(C)C(=O)CC;MLTBREDQLFEECQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360686;MM360686;CC(=CC=CF)CC=NN;KMPQIRCJKLJDMW-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360687;MM360687;CCC(=O)C(C)=CCC#N;DDDIEJSOEBSHJT-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360688;MM360688;CC(=CC=CF)CC=NO;CREJVGCRLJVZAL-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360689;MM360689;CC(=CCC=O)C(=O)CO;DMKJZWJLMMIBSH-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360690;MM360690;C=C(CC(C)CF)C(C)O;NIOJNXIOTSIKLT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360691;MM360691;C=CCC=C(C)C(=O)CF;WRWNEDNHHWAWNA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360692;MM360692;C=CC(C)=CC(=C)C(C)O;TWTFEVAWWITLCQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360693;MM360693;CC(=CCC=O)C(=O)CF;DZGCZYDHNOENTQ-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360694;MM360694;CC(=CC(C)CF)C(C)O;KHAXHIXDSXTSMC-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360695;MM360695;CC(=CCC#N)C(=O)CF;ZTIYDCJUSGCRAO-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360696;MM360696;CC=CC=C(C)N=CNN;ZLSAWTLYXUDNPY-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360697;MM360697;C=CCC=C(F)C(=O)CC;AFTWMHDQUOPLMO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360698;MM360698;CC(C=CNO)=NC=NO;ZQNIVVHTERMNBZ-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360699;MM360699;O=CCC=C(F)C(=O)CO;JAXBKIODLFVVSV-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360700;MM360700;N=C(C=CNN)NC=NN;VXYCYJUNQWRRQA-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360701;MM360701;C=CCC=C(C)C(=N)NC;GKTZKRBCATUEOG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360702;MM360702;N=C(C=CNO)NC=NN;MGGUNRXJZIZPFT-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360703;MM360703;C=CCC=C(C)C(=N)NN;GDDGZSUFWSWOCC-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360704;MM360704;C=C(C)C#CCC(O)CC;NKMIXYCYQYWHMC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360705;MM360705;C=CCC=C(C)C(=N)NO;AWDLEGBBAWZLOH-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360706;MM360706;CC(=NC=NO)NC=CF;IQSLAOSLOUBELK-UHFFFAOYSA-N;145.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360707;MM360707;CC1N(CC=O)C1(C)C;UMZPDIVQLIQCRN-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360708;MM360708;CCN=C(C)NN=CC=O;XJIJXNSDUZEFFY-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360709;MM360709;CC(=CCC=O)C(=O)NO;YPJVMTQAHRWEBS-UHFFFAOYSA-N;143.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360710;MM360710;CC(N=CNN)=NC=NO;BCBQXNBDIDVVOU-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360711;MM360711;NC(=NO)C(F)=CCC=O;CMCJSEBGTATUQV-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360712;MM360712;CC(N=CNO)=NC=NO;FECTVDVWRZPGGY-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360713;MM360713;C=CCC=C(F)C(=O)NO;XTLGDMOXKWJUHY-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360714;MM360714;N=CNN=C(N)NC=CF;GBDIHWDKYFIHIG-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360715;MM360715;C=C(OC)C(C)=CCC=O;YTSUFKLEAMQZCV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360716;MM360716;N=CNN=C(N)NC=NN;QRFZLADYMPONKB-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360717;MM360717;COC(=O)C(C)=CCC=O;CUAKNHNMGGZXHP-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360718;MM360718;C=CC=NOC(C)C(C)=O;DHKAYDFVKXVLBC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360719;MM360719;C=C(OC)C(F)=CCC=O;ZQWFXWUUAPIVPY-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360720;MM360720;NC(=CC=NO)OC=CF;CRAIHYUPTMJSRO-UHFFFAOYSA-N;146.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360721;MM360721;C=CCC=C(F)C(=O)OC;YHDBEJBGOSRGNP-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360722;MM360722;COCC#CC(C)C(C)O;OCALOLYVCJJWRC-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360723;MM360723;C=C(CC)C(C)=CNC=N;MTVARLQZUJSFJD-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360724;MM360724;CC=COC(C)=NN=CC;HKICUZZFAHJBOL-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360725;MM360725;C=C(CO)C(C)=CNC=O;MZUVGJRNDWLVES-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360726;MM360726;CC=NN=C(C)OC=CF;UKCGPTAVQAMGTG-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360727;MM360727;CC(=CN=CN)C(=O)CF;AIGPNGAKPPRDQM-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360728;MM360728;C=C(CC1CC1C)C(C)O;CLEJKCKGGWCMKI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360729;MM360729;C=C(CC)C(F)=CNC=N;DNZVKYVOSSFVLM-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360730;MM360730;CC=NN=C(C)OC=NO;HJOXZBNRFWFGAZ-UHFFFAOYSA-N;143.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360731;MM360731;C=C(CO)C(F)=CNC=N;IHMQGOWGAYZPOS-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360732;MM360732;CCC(C)(C#CCF)CO;TWPZAUOHNBIIGM-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360733;MM360733;C=CCCC(=C)C(C)O;KWDDPABFVLLFLY-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360734;MM360734;C#CC(C)NN=C(N)C=O;NHXJEWNHJKMTBV-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360735;MM360735;CNC(=O)C(C)=CN=CN;RGSVTSQEPFZUFE-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360736;MM360736;CC=NN=C(C)ON=CC;PJMOOZGYAZIYBY-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360737;MM360737;N=CNC=C(F)C(=N)NN;BQYBAIJDPZOVQJ-UHFFFAOYSA-N;145.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360738;MM360738;CC#CC=C(C)NC=NC;MQQLRIQFOKXSPM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360739;MM360739;C=CCC=C(C)C(C)O;LCIGTNMGUNDSSU-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360740;MM360740;CC#CCC(C)=CCCO;SFOKUFKIIZMYLG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360741;MM360741;CNC(=O)C(F)=CNC=O;RGEWWLAAIRVMHW-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360742;MM360742;CC#CCC(F)=CCCO;NPKVGPDICCHXNZ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360743;MM360743;C=C(OC)C(F)=CNC=N;LNUOSLZLPQWBDS-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360744;MM360744;CC#CCC(C)=NOCC;WAMWYXGWEYEEIO-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360745;MM360745;C=C(OC)C(F)=CNC=O;ARWXLPXVWQRQOO-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360746;MM360746;CC#CCC(C)=CNC=N;KHEYBKFUZCGDNG-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360747;MM360747;C=COC=C(C)C(=C)CO;FPHYLPYTQFRHDZ-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360748;MM360748;CC#CCC(C)=CNC=O;INDXZVNFMDCSCC-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360749;MM360749;C=C(CO)C(C)=COC=O;OUUOENLNSVXFID-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360750;MM360750;CC#CCC(C)=NNC=O;BZNNZQVCRKIGAQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360751;MM360751;C=COC=C(C)C(=O)CC;GOAGBEQLOXVWES-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360752;MM360752;CCC(=O)C(C)=COC=O;LVTFZZKFDGFULE-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360753;MM360753;C#CCC=C(C)CC#CC;MSDHRQKHXHPGMG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360754;MM360754;CC(=COC=O)C(=O)CO;JSMNHJKSNMVOAC-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360755;MM360755;CC#CCC(C)=NN=CC;NHPIXGOLNUFNOE-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360756;MM360756;C=COC=C(F)C(=C)CC;HIYOSKVJUKZQLY-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360757;MM360757;CC(C=CCN)=CCCN;QCAGJBZPWCJDIO-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360758;MM360758;C=COC=C(F)C(=C)CO;JXYWSFZWDZVBQY-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360759;MM360759;CC(C=CCN)=CCCF;YGKFYWPCDHMWQX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360760;MM360760;C=C(CO)C(F)=COC=O;HPBNJODNNCZDIY-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360761;MM360761;CCCC=C(C)C=CCO;VRDHJOOZEGHKMM-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360762;MM360762;O=COC=C(F)C(=O)CO;IEEBSOPIXLAQJO-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360763;MM360763;CCCC=C(F)C=CCO;UQXAYLQHFTWKKV-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360764;MM360764;C=COC=C(C)C(=N)NC;WYBRIQGYXYEDGO-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360765;MM360765;CNCC=C(C)C=CCO;CVCZYOIGPZOFBN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360766;MM360766;C=COC=C(C)C(=N)NN;MNDRGRNDLLHPCR-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360767;MM360767;CCOC=C(F)C=CCN;RLASWMRYDJXYTF-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360768;MM360768;C=COC=C(C)C(=N)NO;AANRJLPUQZAIES-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360769;MM360769;CCCC=C(C)C=NNC;HAOMSUKKNWFNSM-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360770;MM360770;CC(=CCC=O)C(C)O;QNDFSJAGRXWWEC-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360771;MM360771;C#CC(C)=NOC(C)C=O;YNUKUATZJRSKMM-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360772;MM360772;C=COC=C(F)C(=O)OC;NIMHZDCESBRUQG-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360773;MM360773;CNN=CC(C)=CCCF;XHXVWBBNDIWYAH-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360774;MM360774;C=C(CN)C(C)=NNC=O;WEWWFKXCZOVTAU-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360775;MM360775;COCC=C(F)C=NOC;SEHOKDOEKRUNCA-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360776;MM360776;C=C(CO)C(C)=NNC=O;UNGRCIRNPNXHSS-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360777;MM360777;CCOC=C(F)C=NNC;REZAXMCRRKBUAH-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360778;MM360778;C=C(CF)C(C)=NNC=O;VXWVYELLYOXAGB-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360779;MM360779;CCOC=C(F)C=NOC;RMLKSDRBPXJZAU-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360780;MM360780;C=CCCCC(O)C=C;PCELKVAQHUEQKH-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360781;MM360781;CCNN=C(C)C=COC;CTPAXNLCQWIMLW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360782;MM360782;CCC(=O)C(C)=NNC=O;VBSJZJDYWOMTJO-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360783;MM360783;CCON=C(C)C=CCN;CSDPTKGAHZLRSD-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360784;MM360784;C=CCC=CC(O)CC;ZCBLGUTXDSVWQK-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360785;MM360785;C#CC(=O)CNCCC#N;FZSNKDGBFMARMG-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360786;MM360786;CNC(=N)C(C)=NNC=N;BIKDQKJZSYVXPN-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360787;MM360787;CCON=C(C)C=COC;DZMCYUGNFOHRHA-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360788;MM360788;CNC(=N)C(C)=NNC=O;CIYVXEPHCIVIRE-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360789;MM360789;CC=NOCCC(C)C=O;XTWJGDXCKUSXSK-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360790;MM360790;CCC(O)C=CCC=O;ARLGRPDEXWQJHG-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360791;MM360791;CCON=C(C)C=NOC;PBDFPFGGAVGYAW-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360792;MM360792;C=C(OC)C(C)=NNC=O;DIALWQZCFZQAOJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360793;MM360793;CCC=CC(C)=CCC=O;BEENIZMPHXRYHC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360794;MM360794;C=C(CC)C(C)=NOC=O;XWOJDNTXMCPZMD-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360795;MM360795;CC(C=CCF)=CCC=O;XNCGQHGFQJVXLI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360796;MM360796;C#CC=C(C)C(C)CO;RZLMNNPBNIPUKF-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360797;MM360797;N=CNC=C(F)C=CCO;BJCXWYFDARFUSM-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360798;MM360798;CC(=NOC=O)C(=O)CO;WYZDNGZIMGTQKW-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360799;MM360799;COC=CC(C)=CNC=N;LRNOZLFNGIIYSK-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360800;MM360800;CNC(=N)C(C)=NOC=O;PVROQXJMYSCICO-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360801;MM360801;COC=CC(F)=CNC=N;YULZHFPLFXOOTD-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360802;MM360802;CC(=NOC=O)C(=O)NN;KHGZAFLKTPMIIN-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360803;MM360803;C=CCC=C(C)C=NNC;FIJUMYPWDDLEPO-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360804;MM360804;CC(=NOC=O)C(=O)NO;ZGFRJVWTBZHVSP-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360805;MM360805;N#CC#CC1CCC(O)C1;ABKRFCFOWOTSBJ-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360806;MM360806;C=C(OC)C(C)=NOC=O;XJCMUIXWZRQABX-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360807;MM360807;CON=CC(F)=CCC#N;UYBXADWUHUMTEX-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360808;MM360808;C#CCC=C(C)C(=C)CC;XLYRLGGZEXSTSJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360809;MM360809;CNN=CC(C)=COC=O;UGYCQNAKOZBFGR-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360810;MM360810;C#CCC=C(C)C(=C)CN;BDGUYMBAGBKOAI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360811;MM360811;C=COC=C(F)C=NNC;URBWNBUVIHDJDY-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360812;MM360812;C#CCC=C(C)C(=O)CC;SRQRWHIHRSRUPX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360813;MM360813;C=COC=C(F)C=NOC;BWFQTHHUWWJFLW-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360814;MM360814;C#CCC=C(F)C(=C)CN;BYCSARMQJWVXAE-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360815;MM360815;CON=CC(F)=COC=O;MMFJGSFHPDBIEW-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360816;MM360816;C#CCC=C(F)C(=O)CO;DRNPMDNKOJKIMV-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360817;MM360817;CC(C=CCN)=NNC=O;ZRUSENHEXFSUJA-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360818;MM360818;C#CCC=C(C)C(=N)NC;IYLQWZDOPXDXEK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360819;MM360819;CC(C=CCO)=NNC=O;SBFCWAXATUCMTQ-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360820;MM360820;C#CCC=C(C)C(=O)OC;XEGMTBPLNDUWOS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360821;MM360821;CC(C=CCN)=NOC=O;WXNMXVZRHGETOV-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360822;MM360822;C=CC(=C)C(C)=CCCC;NRPCEMBZNVNJNS-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360823;MM360823;CC(C=CCF)=NOC=O;FFKNSZFNQLSRBD-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360824;MM360824;C=C(C=O)C(C)=CCCO;HRIYOHGKOUCYMG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360825;MM360825;COC=CC(C)=NOC=O;VQTASNOOKOXWSH-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360826;MM360826;C=C(C=O)C(C)=CCCF;XDCCZFBHTKQFNV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360827;MM360827;CCCC=C(C)C=CC#N;HZQFUCPJFBLMLA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360828;MM360828;C=C(C#N)C(C)=CCCF;GAJKEKOPYNQWQY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360829;MM360829;CC(C=CC=O)=CCCO;FLHRKFDALMZEBA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360830;MM360830;C=CC(=O)C(C)=CCCC;UMRFGFZHRFQVOG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360831;MM360831;C=CC=CC(F)=CCCC;BMFGMQAJNAAYKV-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360832;MM360832;C=CC(=O)C(C)=CCCO;VJZHZKMUCFKMSH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360833;MM360833;C=CC=CC(C)=CCNC;AHQXVFXTKNWPRA-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360834;MM360834;CCCC=C(C)C(=O)C=O;OLFZVGISMPTWTR-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360835;MM360835;CNCC=C(C)C=CC=O;MOQGCIHXKRJCQS-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360836;MM360836;CCCC=C(C)C(=O)C#N;PMPHKUOWQBYVHU-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360837;MM360837;CNCC=C(C)C=CC#N;CKLGALQDMQWYCL-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360838;MM360838;C=CC(=C)C(F)=CCCN;GJXLPJQHXOWMTO-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360839;MM360839;CNCC=C(F)C=CC=O;OOESYNUWBFDMST-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360840;MM360840;C=C(C=O)C(F)=CCCF;LEKVUMOHYRBDNO-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360841;MM360841;C=NN=CC(C)=CCCC;MYJXOCRKEJHVGL-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360842;MM360842;C=C(C#N)C(F)=CCCF;JYJBEZXAHZCJFV-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360843;MM360843;C=NN=CC(F)=CCCN;GTERARQQRBLCFM-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360844;MM360844;C=CC(=O)C(F)=CCCC;WGSXXEYTTHPBDY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360845;MM360845;C=NN=CC(F)=CCCF;GTJVQXARKKDYOZ-UHFFFAOYSA-N;146.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360846;MM360846;C=CC(=O)C(F)=CCCF;IFFINIJBOUQDBX-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360847;MM360847;CCON=C(C)C=CC=O;LWWAQUJEXJPKFB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360848;MM360848;C=CC(=C)C(C)=CCNC;JFZPLGNNSWUWSE-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360849;MM360849;CCON=C(C)C=CC#N;GBRHDDDTVZIQGS-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360850;MM360850;CNCC=C(C)C(=O)C=O;DYSRGVSWKPFLRN-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360851;MM360851;C=NN=CC(C)=NOCC;IKMVFLHKARSRIX-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360852;MM360852;C=CC=CC(C)=CCC=O;QBIJCXQPGRBSOU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360853;MM360853;CNCC=C(C)C(=O)C#N;OCVVQUVBUSBHMF-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360854;MM360854;CC(C=CC=O)=CCC=O;OGPHOJRFHRWEEZ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360855;MM360855;C=CC(=C)C(F)=CCNC;OYTTVCHMIAHDQW-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360856;MM360856;CC(C=CC#N)=CCC=O;DKADRWJAPJEYES-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360857;MM360857;C=C(C=O)C(F)=CCNC;GYQLMPGJIAKQPC-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360858;MM360858;C=CC=CC(F)=CCC=O;KVXAMTLSHBWPAO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360859;MM360859;C=C(C#N)C(F)=CCNC;QFWMBFGJASVQHG-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360860;MM360860;C=CCC=C(F)C=CC=O;XVGWJPWEMFCQJY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360861;MM360861;C=CC(=O)C(F)=CCNC;UKAUGZGGNKXKRJ-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360862;MM360862;C=CCC=C(F)C=CC#N;IPZNZFIWTPNNRD-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360863;MM360863;COCC=C(C)C(=O)C#N;SEZPXUPLUZUHEP-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360864;MM360864;CC(C=CC=O)=COC=O;KJUNMLQAKHQFGP-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360865;MM360865;C=CC(=O)C(C)=CNCC;WLOFICXQLHRGOR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360866;MM360866;C=NN=CC(C)=CNC=N;KXVVVBUMWSHGHY-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360867;MM360867;CCNC=C(F)C(=O)C=O;IFHXAKNMPGAZOD-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360868;MM360868;C=NN=CC(C)=CNC=O;GIUUCEGSURPCQO-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360869;MM360869;C=C(C#N)C(C)=COCC;BNIZLGDYZSIRFU-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360870;MM360870;CC(C=CC#N)=NNC=O;STAGCKWKLZLLOA-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360871;MM360871;CCOC=C(C)C(=O)C=O;ZZGGRRHTKRTTNS-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360872;MM360872;CC(C=CC#N)=NOC=O;PCBFFCRMJTUAPT-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360873;MM360873;CCOC=C(F)C(=O)C#N;UPGUVTDTRMDXPC-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360874;MM360874;C=NN=CC(C)=NOC=O;FTFNWVHSXZJKGF-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360875;MM360875;C=C(C=O)C(C)=NNCC;MRYLWKAEPBHJDI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360876;MM360876;C#CCC=C(C)C=CC#N;XKHDOEDCRPYYMT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360877;MM360877;CC1(CF)CN1CC=O;OTANYIBPCMPZPL-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360878;MM360878;C#CCC=C(F)C=CC=C;WNJOXXOBLSFXMP-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360879;MM360879;C#CCC(C#N)ON=C;XVOGUESKOYYBLK-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360880;MM360880;C#CC=CC(C)=CCCF;FUWSGQMBJUVXHG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360881;MM360881;C=CC(=C)C(C)=NOCC;HAWKVZISRKDZKC-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360882;MM360882;C#CC=CC(F)=CCCC;ALXVTUGCYXAGMM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360883;MM360883;C=C(C#N)C(C)=NOCC;MLXYODGOWWIWQM-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360884;MM360884;C#CC=CC(F)=CCCN;ITNGFDAFNNXLJZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360885;MM360885;CCON=C(C)C(=O)C#N;HYOZCGMPRSSZCD-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360886;MM360886;C#CC=CC(C)=NOCC;FCHLNDVWBGPPRJ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360887;MM360887;C=CCC=C(C)C(=C)C=C;NFMNUNSPDMGUDJ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360888;MM360888;C#CC=CC(C)=CCC=O;IWMBYKLPOJDBIQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360889;MM360889;C=CC(=C)C(C)=CCC#N;OKWBGLLBKHGEFC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360890;MM360890;C#CC=CC(F)=CCC#C;KUAGVIWTCXIOIC-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360891;MM360891;C=CCC=C(C)C(=C)C=O;NQCUVJVORRJORT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360892;MM360892;CC(C=CCN)=CC=CF;JRZBGEPYGKUJIK-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360893;MM360893;C=CCC=C(C)C(=C)C#N;MIOUKXWPVAUPNO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360894;MM360894;CC(C=CCO)=CC=NO;DWCARYSLDLGUOW-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360895;MM360895;C=C(C=O)C(C)=CCC=O;XEPVBLPOMAUJEK-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360896;MM360896;N=CNN=c1onc(F)o1;QIORFIKIOQRZQF-UHFFFAOYSA-N;146.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360897;MM360897;C=C(C=O)C(C)=CCC#N;GLOITZARRJLLIV-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360898;MM360898;CON=CC(F)=CC=NN;TUXFJNKEXDHRHQ-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360899;MM360899;C=C(C#N)C(C)=CCC#N;ORLBSFFPAPCVGR-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360900;MM360900;CON=CC(F)=CC=NO;ZMHBPHLMFDPSFT-UHFFFAOYSA-N;146.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360901;MM360901;C=CCC=C(C)C(=O)C=C;JNANGOLKKAPWPY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360902;MM360902;CC=NN=C(C)C=CCC;RKROCVBRELZOPP-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360903;MM360903;C=CC(=O)C(C)=CCC=O;BTUYLKPTGCNOJI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360904;MM360904;CC=NN=C(C)C=CCN;LHRGELRJHXWOPD-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360905;MM360905;C=CC(=O)C(C)=CCC#N;MBRXYFUNUXHROB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360906;MM360906;CC=NN=C(C)C=CCF;LYCRAAVCZYUYON-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360907;MM360907;C=CCC=C(C)C(=O)C#N;KOXZYCGZZVEAEC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360908;MM360908;CC=NN=C(C)C=COC;FOTBLFCVCGSSDI-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360909;MM360909;CC(=CCC=O)C(=O)C=O;VAHAZBHCHWZRLY-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360910;MM360910;CC=NN=C(C)C=NOC;VFYZWWLAJDDJRM-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360911;MM360911;CC(=CCC=O)C(=O)C#N;ABTDENFAZDPAAG-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360912;MM360912;CC=CC=C(C)C=CC=O;WGJXOZUBRLCUFC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360913;MM360913;CC(=CCC#N)C(=O)C#N;CAFMMTFJNCAHIZ-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360914;MM360914;CC(C=CC=O)=CC=CF;UUVVHMYCUSJWML-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360915;MM360915;C=CCC=C(F)C(=C)C=C;GJTSBKMODIPWHB-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360916;MM360916;CC=CC=C(F)C=CC#N;WWRJCCFUKFNQTC-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360917;MM360917;C=CC(=C)C(F)=CCC=O;BDHMSYRWJDCCNT-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360918;MM360918;C=NN=CC(C)=CC=NO;QOUJNAVZHROYEC-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360919;MM360919;C=CCC=C(F)C(=C)C=O;AYNQNSJZBVIQLN-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360920;MM360920;C=NN=CC(N)=CC=NO;IKCHRBRKXOZMQH-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360921;MM360921;C=CCC=C(F)C(=C)C#N;AALQJFWDFGPHSJ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360922;MM360922;C=CC=CC(C)=NN=CC;LMAFHXXGWAPRBG-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360923;MM360923;C=C(C=O)C(F)=CCC=O;CEIQACMPRGXFRZ-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360924;MM360924;CC=NN=C(C)C=CC#N;MMYMWUMLASDDPX-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360925;MM360925;C=C(C=O)C(F)=CCC#N;MFAJZGAPAGVSOH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360926;MM360926;C=NN=CC(C)=NN=CC;PTSCJWDWPYQNSI-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360927;MM360927;C=C(C#N)C(F)=CCC=O;UURBGELDXOCREH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360928;MM360928;C#CC=CC(C)=CC=NO;VUOVLYGYBZZGCQ-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360929;MM360929;C=CC(=O)C(F)=CCC=O;TYMQYFZFCNOCJU-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360930;MM360930;CNC(C#N)C#CCC=O;RDPOQALPJKGMHA-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360931;MM360931;O=CCC=C(F)C(=O)C=O;HZVGXCGKRWRSEX-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360932;MM360932;C#CC=CC(C)=NN=CC;ATMYRWSFTNOWPB-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360933;MM360933;N#CCC=C(F)C(=O)C=O;CTXAYZIQBRFWLF-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360934;MM360934;C=CC=CC(C)=CC#CC;MXDCFHCGRYNPGN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360935;MM360935;C=CC(=C)C(C)=CNC=N;IPFBBCCTBOZILI-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360936;MM360936;CC#CC=C(F)C=CC=O;KFOYDAUFAQNWON-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360937;MM360937;C=CC(=C)C(C)=CNC=O;MRPKOHWEOAYZDX-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360938;MM360938;C=NN=CC(C)=CC#CC;BUBQTQGMTXGMCZ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360939;MM360939;C=CC(=O)C(C)=CNC=O;YGCRVPWJNKUMAZ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360940;MM360940;C#CC=CC(C)=CC#CC;NWKNDFOLRNNKSD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360941;MM360941;CC(=CN=CN)C(=O)C=O;MWFBIZUHNPBZGI-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360942;MM360942;CCC#CC(C)=CCCN;XATDXVJSBFTFEA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360943;MM360943;C=CC(=C)C(F)=CNC=N;AOGKMYLQCHWKNI-UHFFFAOYSA-N;140.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360944;MM360944;CCC#CC(C)=CCCO;QYASXLNIWKGXDR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360945;MM360945;C=CC(=O)C(F)=CNC=O;FQGMJCWHDUZCPH-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360946;MM360946;CCCC=C(C)C#CCN;VWOKZPGHAMJKDG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360947;MM360947;N=CNC=C(F)C(=O)C=O;PGKOMVITBVPCJL-UHFFFAOYSA-N;144.11;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360948;MM360948;CC(C#CCN)=CCCF;PRJIYGLYZKXXHT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360949;MM360949;CN1C(C#N)CC1C=O;NCZCXBSUGABJRU-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360950;MM360950;CC(C#CCO)=CCCO;KSCISFOBNCNLLJ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360951;MM360951;C#CC1=C(C)C(O)CC1;UFPQWFWDTXPNOQ-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360952;MM360952;CC(C#CCO)=CCCF;IUUHYDANHCYPNE-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360953;MM360953;C=COC=C(C)C(=C)C=C;HJJLELDELQCUNS-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360954;MM360954;C=CC(=C)C(C)=COC=O;GFAJIBYIWSAOHU-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360955;MM360955;CC(C#CCF)=CCCF;JWSUOWLZJNPCOY-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360956;MM360956;C=COC=C(C)C(=O)C=C;YSEREVTXZXFSOK-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360957;MM360957;NCC#CC(F)=CCCN;PIBQYPOLMFQLPC-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360958;MM360958;C=CC(=O)C(C)=COC=O;UJNZOQQVYFBAIU-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360959;MM360959;CCCC=C(F)C#CCO;GXURLMQIGDFSJI-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360960;MM360960;C=COC=C(C)C(=O)C#N;DSSSDPCZEGQJGF-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360961;MM360961;OCC#CC(F)=CCCO;AAIBPSXIOAXWEE-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360962;MM360962;CC(=COC=O)C(=O)C#N;HDWXHDGSWZTAPU-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360963;MM360963;CCC#CC(C)=CCNC;XONMFZCSFSMQDJ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360964;MM360964;C=COC=C(F)C(=C)C=C;IBGNKAUWQAHMSJ-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360965;MM360965;CNCC=C(F)C#CCN;CEEKAONQGGAQBJ-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360966;MM360966;C=COC=C(F)C(=C)C=O;HRPOGUBCINOGOZ-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360967;MM360967;CCC#CC(C)=CCOC;FHURJKUTNJCLLH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360968;MM360968;C=COC=C(F)C(=O)C=O;PPVMHZUQIJKQCN-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360969;MM360969;CCOC=C(F)C#CCN;ZFISITJPFREXRS-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360970;MM360970;C=COC=C(F)C(=O)C#N;PRGBWPQZPXRBSU-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360971;MM360971;CCOC=C(F)C#CCO;OBCZMBYBWOQQOA-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360972;MM360972;C#CC=CC(CC)CO;JZXFCWAQAITHAX-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360973;MM360973;CCC#CC(C)=NNCC;WWKIZOZRIWDXHF-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360974;MM360974;C=C(C#N)C(C)=NNC=O;MDWAJMUEEMNIEF-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360975;MM360975;CCNN=C(C)C#CCF;QHGZWKKZJNHZDH-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360976;MM360976;CC(C#CC1CN1)C=O;RBCFSVLDNILHAP-UHFFFAOYSA-N;123.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360977;MM360977;CCC#CC(C)=NOCC;JUAGINUIQWTDJE-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360978;MM360978;C=C(C#N)C(C)=NOC=O;KXEJNSAOSXQELY-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360979;MM360979;CCON=C(C)C#CCN;USAYHWYPDLJYDI-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360980;MM360980;C#CCC=C(C)C(=C)C=C;FTUIXRLVRCMNOA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360981;MM360981;CCC=C1C=CC2(O)CC12;XJBGIPDSCYXJSB-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360982;MM360982;C#CCC=C(C)C(=C)C=O;KSEWAPQGJYLILM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360983;MM360983;CCON=C(C)C#CCF;QYLCSQKTKMJRDH-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360984;MM360984;C#CCC=C(C)C(=O)C=C;DVAYEIWBAXRCGZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360985;MM360985;C=CCC=C(C)C#CCC;OHVHKGMYNWSQTA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360986;MM360986;C#CCC=C(C)C(=O)C#N;KCISOXHNZDJMIZ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360987;MM360987;CCC#CC(C)=CCC=O;DTMCAYNNCXZENE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360988;MM360988;C#CCC=C(F)C(=C)C#N;ZKIXZDVRFAAETC-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360989;MM360989;C=CCC=C(C)C#CCN;CYLFNNROOYBIND-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360990;MM360990;C#CCC=C(F)C(=O)C=O;MXWWOBANKPTEJE-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360991;MM360991;CC(C#CCO)=CCC=O;KKAWXEFELBLOMX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360992;MM360992;C#CC(=C)C(C)=CCCN;UXDHOGWDIDFXKK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360993;MM360993;CC(C#CCF)=CCC=O;FZJKFWMLCAVLJL-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360994;MM360994;C#CC(=C)C(C)=CCCO;YBUXIZWHNVPIOG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360995;MM360995;C=CCC=C(F)C#CCN;ALUWHCFBSWFAKR-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360996;MM360996;C#CC(=O)C(C)=CCCF;DKLGIKCVFBFIDT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360997;MM360997;C=CCC=C(F)C#CCO;YXBPUDXOTDNTRL-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360998;MM360998;C#CC(=C)C(F)=CCCN;KPOUJABTUZYZMX-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM360999;MM360999;CCC#CC(C)=CNC=N;IKRROHGAJNZTRP-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361000;MM361000;C#CC(=C)C(C)=CCNC;WKQDWOFLPZUKTR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361001;MM361001;CCC#CC(C)=CNC=O;WEDMURVNNFSTPU-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361002;MM361002;C#CC(=C)C(F)=CCNC;QXQQUYNHWNSSOS-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361003;MM361003;CC(C#CCF)=CNC=N;MGBBLNUMLRRSDL-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361004;MM361004;C#CC(=O)C(F)=CCOC;WSAFLLAOCUABIA-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361005;MM361005;C=COC=C(C)C#CCC;GOHUZJPEFLFIDB-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361006;MM361006;C#CC(=C)C(C)=COCC;HFSSPMHUNHLFPB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361007;MM361007;CCC#CC(C)=COC=O;VIGAPTBPABDIGI-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361008;MM361008;C#CC(=O)C(F)=COCC;GBQTVIZZQWFUBV-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361009;MM361009;CC(C#CCN)=COC=O;RZXLGBZIIASTTC-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361010;MM361010;C#CC(=C)C(C)=NNCC;HPBZMUWKFNNIAU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361011;MM361011;CC(C#CCO)=COC=O;KLOZUQWWVLKKLW-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361012;MM361012;C#CC(=C)C(C)=NOCC;KWYVOBNKNYWSCQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361013;MM361013;C=COC=C(F)C#CCN;FMSNRCNINGQXAU-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361014;MM361014;CC=CC1C(C)C1CO;QFKUFHVROLLPHG-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361015;MM361015;C=COC=C(F)C#CCO;GQDMWIZONFQAIW-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361016;MM361016;C#CC(=C)C(C)=CCC=O;OSCZKBWFIGMNIY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361017;MM361017;CCC#CC(C)=NNC=O;FNXCQHWOQDTCNR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361018;MM361018;C#CC(=C)C(C)=CCC#N;SPVCYWQJXYPWEJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361019;MM361019;CCC#CC(C)=NOC=O;UPIIJLAYXRUQLX-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361020;MM361020;C#CC(=O)C(C)=CCC=C;BGJUFWSNLPPSGW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361021;MM361021;CC(C#CCF)=NOC=O;GCIUYHGBTQCIFE-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361022;MM361022;C#CC(=O)C(C)=CCC=O;FSFKJPMTJXAIKF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361023;MM361023;C#CCC=C(C)C#CCC;JQXFEOHURNZZLZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361024;MM361024;C#CC(=C)C(F)=CCC=C;GHDBZDKSHWVFIK-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361025;MM361025;C=CC#CC(C)=CCCN;CKHWEPWDFMBKFT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361026;MM361026;C=CC#CC(C)=CCCO;HNDIVUVAVOAFQD-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361027;MM361027;C#CC(=C)C(F)=CCC#N;AAXLVIBIUDUOQH-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361028;MM361028;C=CC#CC(C)=CCCF;MUQWRGMAQLQAQQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361029;MM361029;C#CC(=C)C(C)=CNC=O;QUAQMDZXPWNAKL-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361030;MM361030;CCCC=C(C)C#CC#N;WGAUNDPAOQUDQX-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361031;MM361031;C#CC(=C)C(C)=COC=C;SMAFBAZPQYAEED-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361032;MM361032;CC(C#CC#N)=CCCO;DEVULQGTHULQTJ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361033;MM361033;C#CC(=C)C(C)=COC=O;HAKWQJJZBIOGLX-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361034;MM361034;CC(C#CC#N)=CCCF;FNFRRZWOAIIKBN-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361035;MM361035;C#CC(=C)C(F)=COC=C;QOYDCJSXIQRDBJ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361036;MM361036;C=CC#CC(F)=CCCC;QAEFRUVGDSSLKZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361037;MM361037;C#CC(=O)C(F)=COC=C;OPFBRPMUWDDZJP-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361038;MM361038;C=CC#CC(F)=CCCN;WKKIQVQRKOVYIA-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361039;MM361039;C#CC(=C)C(C)=NOC=O;JCUUIQWONRINJP-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361040;MM361040;C=CC#CC(F)=CCCO;RJOCVSGAVBDHKS-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361041;MM361041;C#CCC=C(C)C(=C)C#C;XDSDUTVFELSMDO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361042;MM361042;CCCC=C(F)C#CC#N;RRQILXXFZFSSTJ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361043;MM361043;C#CCC=C(F)C(=C)C#C;ZKFCIFXKLSVBLS-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361044;MM361044;N#CC#CC(F)=CCCF;HLDRVIYYAHKVJZ-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361045;MM361045;CC=CC=C(C)C(C)CN;IOTWMQNOUDQARI-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361046;MM361046;C=CC#CC(C)=CCNC;WDRLZZQFPDNIDQ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361047;MM361047;CC(=CC=CF)C(C)CN;SDWRNWZZASFGQL-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361048;MM361048;CNCC=C(C)C#CC#N;UBGMJSOWGNOYQM-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361049;MM361049;CC=CC=C(C)C(C)CF;BFKHGVSELPTVBG-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361050;MM361050;CNCC=C(F)C#CC#N;DYDBBNBPGFNNGS-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361051;MM361051;CC=CC=C(C)C(N)CC;MWLUOVBGDWWJHD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361052;MM361052;COCC=C(C)C#CC#N;IEFXFAOHZKFLPJ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361053;MM361053;CC=CC=C(C)C(N)CN;AVSCHKRWLIAJFB-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361054;MM361054;COCC=C(F)C#CC=O;WKWXPJLWXUFLTN-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361055;MM361055;CC=CC=C(C)C(N)CF;XJUDARQMAMLVGR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361056;MM361056;C=CC#CC(C)=COCC;GZISBVHPLLQVFF-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361057;MM361057;CC(=CC=CF)C(N)CF;OZGSUNSCZVIUMC-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361058;MM361058;CCOC=C(F)C#CC=O;IKGYVRIABALDLD-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361059;MM361059;CC1C(C=CF)C1CO;YJUWKGFFNIUODW-UHFFFAOYSA-N;130.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361060;MM361060;C=CC#CC(C)=NNCC;RQWIEPYSXKCBGE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361061;MM361061;CC=CC=C(C)C(O)CN;UYJHAQNWGZINAN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361062;MM361062;CCNN=C(C)C#CC#N;WEWSCWFGNZMHKI-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361063;MM361063;CC=CC=C(C)C(O)CO;QIYIIVRLKNBGNJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361064;MM361064;C=CC#CC(C)=NOCC;VGIJBFQYQNYUFK-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361065;MM361065;CC=CC=C(C)C(F)CN;GQLROXFWFXMZEH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361066;MM361066;CCON=C(C)C#CC=O;UGDXMBRVRXDAHZ-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361067;MM361067;CC(=CC=CF)C(F)CN;SGFXCIXGFVCQKE-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361068;MM361068;C=CC#CC(C)=CCC=O;JKUDTEZXVYGZOH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361069;MM361069;CC=CC=C(C)C(F)CF;BMPIMGFGNRWETO-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361070;MM361070;C=CC#CC(C)=CCC#N;DSACZLLEBGQNNA-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361071;MM361071;CC(=CC=CF)C(F)CF;ASJWBRZYNNTBTK-UHFFFAOYSA-N;150.14;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361072;MM361072;C=CCC=C(C)C#CC=O;YFUYNYQNSNUPNL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361073;MM361073;CC=CC=C(F)C(C)CC;LWVXWRCMAOMRNA-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361074;MM361074;C=CCC=C(C)C#CC#N;DOTVEAZJGQXKNN-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361075;MM361075;CC=CC=C(F)C(C)CN;HYEFIBHRPOHZRN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361076;MM361076;CC(C#CC#N)=CCC=O;URHUIBLWBFWNNO-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361077;MM361077;CC(CN)C(F)=CC=CF;BNHNFYXCIDWSJR-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361078;MM361078;CC(C#CC#N)=CCC#N;WXTVFWIHRQNXSY-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361079;MM361079;CC=CC=C(F)C(N)CC;JIAHLLAXWBRDSJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361080;MM361080;C=CCC=C(F)C#CC#N;MBXHJRFXAQWGFX-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361081;MM361081;CC=CC=C(F)C(O)CC;VSSIXAMHCGMODB-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361082;MM361082;N#CC#CC(F)=CCC=O;NGOIDNYZBRLPNL-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361083;MM361083;CC=CC=C(F)C(F)CC;FABLHRNRTXCLQJ-UHFFFAOYSA-N;146.18;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361084;MM361084;C=CC#CC(C)=CNC=N;YKZSODPLQUBNJC-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361085;MM361085;CC(C)(C)CC1(C)CC1O;BNSHRPQPDCDPNV-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361086;MM361086;C=CC#CC(F)=CNC=N;QGZMZRNJNORLMN-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361087;MM361087;CC(=CC=NO)C(C)CN;GSRRPGAWWGJRPV-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361088;MM361088;C=CC#CC(F)=CNC=O;VHGXGUJCHBRZEW-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361089;MM361089;CC1C(O)C1CC(C)(C)C;FOZYNIGMGULUJW-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361090;MM361090;CC(C#CC#N)=COC=O;WNHJVYYIAYNDSE-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361091;MM361091;CC(=CC=NN)C(C)CF;ZLGYOWVLYPAJFG-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361092;MM361092;C=CC#CC(F)=COC=C;GLHCPABMIQXMOJ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361093;MM361093;CC(=CC=NO)C(C)CF;NNGULEIZKDDSHR-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361094;MM361094;C=COC=C(F)C#CC#N;FLBKMTKLFCUWMN-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361095;MM361095;CCC(O)C(C)=CC=NO;CGMMPWKHXQRBKA-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361096;MM361096;C=CC#CC(C)=NNC=O;CSPPCPZFECKFGN-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361097;MM361097;C#CC(C)(C#CC)C(C)O;IJDOMBAGGDSNRX-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361098;MM361098;C=CC#CC(C)=NOC=O;KFSBYALVRVABGR-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361099;MM361099;CCC(F)C(C)=CC=NN;GYRSADZRFZNXJM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361100;MM361100;CC(C#CC=O)=NOC=O;WLYLOYHVBCALCY-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361101;MM361101;CCC(F)C(C)=CC=NO;VORDJUMYRCSNEB-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361102;MM361102;C#CCC=C(F)C#CC=C;KIQDMOOYXRHLGR-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361103;MM361103;CC(=CC=NO)C(F)CN;VZXNYXNQVRHGBL-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361104;MM361104;C#CCC=C(F)C#CC#N;STLPDLNTABEFAZ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361105;MM361105;C=C(F)C(C)(NC)C(C)=O;DFHRRWRNCVWEPO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361106;MM361106;C#CC#CC(C)=CCCC;SMAVFSMEXYXHNE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361107;MM361107;NCC(N)C(N)=CC=NO;RLONCKJDPRWACV-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361108;MM361108;C#CC#CC(C)=CCCN;YGXFXPJHGFNABJ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361109;MM361109;NC(=CC=NO)C(N)CO;QGUCKTUCUPWSBU-UHFFFAOYSA-N;145.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361110;MM361110;C#CC#CC(C)=CCCF;CIUMOOGIWVUMSZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361111;MM361111;C=C(CCC(C)=O)C(C)O;XJQGBMPHOJQRHH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361112;MM361112;C#CC#CC(F)=CCCC;SLICXFVEVVZIMA-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361113;MM361113;CC(CF)C(F)=CC=NN;QDXXVYDAYWWJBB-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361114;MM361114;CC(CF)C(F)=CC=NO;QDXRUTKAACNPCX-UHFFFAOYSA-N;149.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361115;MM361115;C#CC#CC(F)=CCCN;VHLKJTQZCFPUFS-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361116;MM361116;NCC(N)C(F)=CC=NO;SXVOAPPWAZYCOQ-UHFFFAOYSA-N;147.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361117;MM361117;C#CC#CC(C)=CCNC;WSAIDIXCKNACJZ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361118;MM361118;CCC(F)C(F)=CC=NN;SHNCYEWMLZHIRA-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361119;MM361119;C#CC#CC(F)=CCNC;MUWSLFDQEHMZSA-UHFFFAOYSA-N;137.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361120;MM361120;CC=CC=C(C)C(C)NC;AHYMZQGYRBOAHJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361121;MM361121;C#CC#CC(C)=CCOC;AMQKUOIXQBVQMB-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361122;MM361122;CNC(C)C(C)=CC=CF;MCHMHANBGGXGGS-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361123;MM361123;C#CC#CC(C)=COCC;OHVINKMFFGJCGQ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361124;MM361124;CNC(C)C(C)=CC=NO;JDDOZRNNMRRFSL-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361125;MM361125;C#CC#CC(C)=NNCC;UMOKLATXUYTUQG-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361126;MM361126;CC=CC=C(C)C(C)OC;IOVYUSCHDLNMNV-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361127;MM361127;C#CC#CC(C)=NOCC;ORHCOHPBWNJGOV-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361128;MM361128;CC=CC=C(F)C(C)OC;MIYOBENOUWQEDR-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361129;MM361129;C#CC#CC(C)=CCC=O;OCPNKXBASGFYAO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361130;MM361130;COC(C)C(C)=CC=NO;IVOIAASZIPWELC-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361131;MM361131;C#CC#CC(C)=CCC#N;RSDTUWQNIYNUMW-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361132;MM361132;C=C(F)CCC(=C)C(C)O;BGLWHBHWGOGDNC-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361133;MM361133;C#CC#CC(F)=CCC=C;YAGBIHFNKWWCFI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361134;MM361134;COC(C)C(F)=CC=NO;JNVJHSSLHKMLCF-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361135;MM361135;C#CC#CC(F)=CCC=O;GKJCOWNNMFYHCW-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361136;MM361136;CC=NN=C(C)C(C)CC;JGRNBGVHAZSQGR-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361137;MM361137;C#CC#CC(F)=CCC#N;SELCYLRZHGQHCN-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361138;MM361138;CC=NN=C(C)C(C)CN;LDJDBPMQJLRABV-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361139;MM361139;C#CC#CC(C)=CNC=N;MNYXZTYUZMRNGT-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361140;MM361140;CC=NN=C(C)C(C)CO;PGGMVVFDGGMMLI-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361141;MM361141;C#CC#CC(F)=COC=O;KFTXTAOOOOQANH-UHFFFAOYSA-N;138.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361142;MM361142;CC=NN=C(C)C(N)CN;USXKSFASKYUDDX-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361143;MM361143;C#CC#CC(C)=NNC=O;BWGFUHYFLHQYRV-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361144;MM361144;CC=NN=C(C)C(F)CO;PNBKTAZIVWSEGX-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361145;MM361145;C#CC#CC(C)=NOC=O;RTBQBZYYTFECKI-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361146;MM361146;CCN(C)C(C)=NC=NC;IGTBNHQRZZWTBN-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361147;MM361147;C#CC#CC(F)=CCC#C;XJDZESQGLRNVPN-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361148;MM361148;C=C(C)CC=C(C)C(C)O;XNKJBWXPSRVEHE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361149;MM361149;CC=CC=C(C)C#CCC;SMENPLGIRDIGHN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361150;MM361150;CN=CN=C(C)N(C)OC;OXLRJVMQWZVGHN-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361151;MM361151;CCC#CC(C)=CC=CF;IKCRPCHFCHHIFT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361152;MM361152;CC=NN=C(C)N(C)CC;VAQSDLMQCJFJHO-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361153;MM361153;CC=CC=C(C)C#CCN;DJCRZMQKRYSNIW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361154;MM361154;CC=NN=C(C)N(N)CC;JDJNPKDQVFTMCG-UHFFFAOYSA-N;142.21;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361155;MM361155;CC(C#CCN)=CC=CF;NBJNJJBIRHCLDZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361156;MM361156;C=CC(O)CCCC(=C)F;HQAOHIWHHKKGSW-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361157;MM361157;CC(C#CCO)=CC=CF;KPTRACNGFVUWET-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361158;MM361158;CC=NN=C(C)N(C)OC;CTYNTILTXBZIPU-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361159;MM361159;CC=CC=C(F)C#CCO;HULKTYLVDLQHJS-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361160;MM361160;C=CC(C)C(C)=CC=CC;FRSKEYHFBUWKBG-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361161;MM361161;CCC#CC(C)=CC=NN;YPTHXIFTBWARRL-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361162;MM361162;CC=CC=C(C)C(C)C=O;KPJBZYPIYBXLJG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361163;MM361163;CCC#CC(C)=CC=NO;KZZZEWAABSPRTM-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361164;MM361164;CC(=CC=CF)C(C)C=O;FCOXNLAOHUIRPK-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361165;MM361165;CC(C#CCF)=CC=NO;GAQCUJLERVTZOC-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361166;MM361166;C=CC(N)C(C)=CC=CC;DIHQKNZLYJPASD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361167;MM361167;CC=NN=C(C)C#CCC;BLWORJSINCVZCP-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361168;MM361168;C=C(C#N)C(=C)CC(C)O;OQOLSGPZCANLPH-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361169;MM361169;CC=NN=C(C)C#CCN;DGNQMDXJHVOXIE-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361170;MM361170;CC=CC=C(C)C(O)C=O;SYCYLENXXLVCKW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361171;MM361171;CC=NN=C(C)C#CCO;RWIAWKUMIISJCW-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361172;MM361172;CC=CC=C(C)C(O)C#N;QJLZIXQQOOCNNG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361173;MM361173;CC=NN=C(C)C#CCF;XJUKFYSTEHAWBV-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361174;MM361174;CC(=CC=CF)C(O)C#N;SYCTXMYTCDKADU-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361175;MM361175;CC=CC=C(C)C#CC=O;FTFWPKOVOPUFOC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361176;MM361176;C=CC(C)C(F)=CC=CC;HWGXHZHBUHREIU-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361177;MM361177;CC=CC=C(C)C#CC#N;JABAHFWGKHNJLH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361178;MM361178;CC=CC=C(F)C(C)C=O;WMTZFEKVEMHQOH-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361179;MM361179;CC(C#CC#N)=CC=CF;HHQNLHZNDFYSQX-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361180;MM361180;C=CC(O)C(F)=CC=CC;QEFPROFXTDGZBO-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361181;MM361181;C=CC#CC(F)=CC=CC;AJYJEAPFLPRGEW-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361182;MM361182;C=CC(F)C(F)=CC=CC;YHZFBVZVHLQIFH-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361183;MM361183;CC(=CC=NO)C(C)C=O;LFLILJDLSQLNMV-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361184;MM361184;CC=CC=C(F)C#CC#N;HWALGHNQNNXXDV-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361185;MM361185;CC(C=O)C(=N)C=CNO;RWMCVBORVFGPIQ-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361186;MM361186;N#CC#CC(F)=CC=CF;OXYGZBUXHRJGCH-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361187;MM361187;C=CC(N)C(N)=CC=NO;WDQAQJLWCRNQEC-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361188;MM361188;CC(C#CC#N)=CC=NO;XINLMXQHWKVEAZ-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361189;MM361189;CC1(CC2(C)CC2O)CC1;KREIAEIJTJVCBN-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361190;MM361190;C#CC1=CC(CO)CC1C;VUFCEDBSYGUQGL-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361191;MM361191;N#CC(O)C(N)=CC=NO;RLYKMVSNBPYIBY-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361192;MM361192;N#CC#CC(N)=CC=NO;WXISFLKCQXLQCX-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361193;MM361193;C=CC(C)C(F)=CC=NO;HGQMREVUHLWHHI-UHFFFAOYSA-N;143.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361194;MM361194;C=CC#CC(C)=NN=CC;JPFLLFMAAAJNOD-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361195;MM361195;CC(C#N)C(F)=CC=NO;OSTWDSHJRBRMEH-UHFFFAOYSA-N;142.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361196;MM361196;CC=NN=C(C)C#CC=O;LCQIPGKDIGGPAN-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361197;MM361197;C=CCC#CCCC(C)O;DWTZYQSBFQIWCA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361198;MM361198;CC=NN=C(C)C#CC#N;CWYBFYJSASKEED-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361199;MM361199;C=CC(O)C(F)=CC=NO;LHONGVULQRRHSA-UHFFFAOYSA-N;145.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361200;MM361200;C#CC#CC(C)=CC=CC;GXAZIJNGVLGFEI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361201;MM361201;O=CC(O)C(F)=CC=NO;GYMZAFAAKFEOSP-UHFFFAOYSA-N;147.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361202;MM361202;C#CC#CC(C)=CC=CF;BDJPWTVJQSXNGT-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361203;MM361203;C=CC(C)C(C)=NN=CC;LSFDLUDPZQQCKS-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361204;MM361204;C#CC#CC(F)=CC=CF;MDXFPTXRKMUKAV-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361205;MM361205;C=C(CCC=CC)C(C)O;LNIYXQCGBJEFJB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361206;MM361206;C#CC#CC(N)=CC=NN;XATDDGUFOIGMPN-UHFFFAOYSA-N;133.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361207;MM361207;C=C(CCC=CF)C(C)O;ODQIICIKMMUVIP-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361208;MM361208;C#CC#CC(F)=CC=NN;YTLOQPSOQZYDSK-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361209;MM361209;C=CC(O)C(C)=NN=CC;FEOVRRWZSOLJKB-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361210;MM361210;C#CC#CC(C)=NN=CC;OQYSTCHGMFPFQS-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361211;MM361211;CC=NN=C(C)C(O)C#N;CTQVBGZGVONJCJ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361212;MM361212;CC#CC=C(C)C#CCC;SBDMRARVCMHTSU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361213;MM361213;C=C(CCC=NN)C(C)O;PUMDDKKKCRVTIL-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361214;MM361214;CC#CC=C(C)C#CCN;YRJZBJYKTYZHRM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361215;MM361215;CC=NN=C(C)C(F)C=O;MMUGVRVTBJZRQW-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361216;MM361216;C=CC#CC(C)=CC#CC;CKHMMEMDLNPGDV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361217;MM361217;CC=NN=C(C)C(F)C#N;NQTAFQYRIADFRD-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361218;MM361218;CC#CC=C(C)C#CC=O;OSJIJQTWYCVWSZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361219;MM361219;CC=CC=C(C)N(C)C=N;LRDSHWUUYAXTAL-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361220;MM361220;CC#CC=C(C)C#CC#N;WVBIZEZVNZVYQG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361221;MM361221;CC(=CC=CF)N(C)C=N;PHJAMOSLBHKQQN-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361222;MM361222;C=CC#CC(F)=CC#CC;FDEFYCRQIAQELD-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361223;MM361223;CC=CC=C(C)N(C)C=O;GYUREQRGJOGNJI-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361224;MM361224;CC#CC=C(F)C#CC#N;UXQIRBCECZNGJT-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361225;MM361225;CC=CC=C(C)N(N)C=N;OQAMFEQLQWBWSR-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361226;MM361226;C#CC#CC(C)=CC#CC;CUDVHBIGHDTWIS-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361227;MM361227;CC=CC=C(C)N(N)C=O;DZSFNVONNKLMMG-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361228;MM361228;C#CC#CC(F)=CC#CC;DFGLYHCACRLWAM-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361229;MM361229;CC=CC=C(C)N(O)C=O;TZFWQBMJAKTFDO-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361230;MM361230;CCC1CC1(C)C(C)CN;PIENBFWMRSGODN-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361231;MM361231;CC(=CC=NN)N(C)C=N;YRGXEFPXYQXHHV-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361232;MM361232;C#CC#CC1CC(O)C1C;CXRMKIJFRVBPPF-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361233;MM361233;CC(=CC=NN)N(C)C=O;NVYLHQYUGGFGRS-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361234;MM361234;CCC(N)C1(C)CC1CC;JOLCTNVPRIHQJF-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361235;MM361235;CC(=CC=NN)N(N)C=N;LFABVWHBMUFQPM-UHFFFAOYSA-N;141.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361236;MM361236;CCC1CC1(C)C(N)CN;MAPFIPHTIYUYGJ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361237;MM361237;CC(=CC=NN)N(O)C=O;DDPNDNFMJMFKKS-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361238;MM361238;CCC1CC1(C)C(N)CO;CLPFPIZEQMUZFY-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361239;MM361239;CN(C=N)C(N)=CC=NN;OTGAKXIIXYFKCE-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361240;MM361240;CCC(N)C1(C)CC1CN;WSLMICOHYZYDSW-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361241;MM361241;CC=CCC=C(C)C(C)O;VLUQGPKYEDPMDE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361242;MM361242;C#CCC(C=C)C1CC1O;HTDVGVCOWDYWTO-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361243;MM361243;N=CN(N)C(N)=CC=NN;FCFFEAINICWCNI-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361244;MM361244;CCC(O)C1(C)CC1CN;DRNWNDZPHGIBQU-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361245;MM361245;N=CN(N)C(N)=CC=NO;YBYPOOOTDHSNEP-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361246;MM361246;CCC(C)C1(C)CC1NC;MTGSLZLMDBTXMZ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361247;MM361247;N=CN(O)C(N)=CC=NN;CGHGRPVQDHPCDU-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361248;MM361248;CCC(C)C1(C)NC1CN;BUXWMQAVSFIITE-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361249;MM361249;CCC(C)C1(C)OC1CN;VWUQGHXRXLHZPC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361250;MM361250;NC(=CC=NO)N(O)C=O;CDSBAIZSNSZORO-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361251;MM361251;CCC(N)C1(C)OC1CC;WBXFINPYMPDSPU-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361252;MM361252;CC(=NC=NO)N(C)C=O;IGRGTGWKCMOLGA-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361253;MM361253;CCN1CC1(C)C(C)CN;OFGXFPJRVBXDIP-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361254;MM361254;CC(=NC=NO)N(N)C=N;UMMWDBLDSQJACT-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361255;MM361255;CCC(N)C1(C)CN1CC;TUQYBDRYELEHQU-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361256;MM361256;CN=CN=C(C)N(N)C=O;MTAJRGFJJMDNPG-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361257;MM361257;C=CC(C)C1(C)CC1CC;WKKXVASMXOUWFE-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361258;MM361258;CC(=CCC=CF)C(C)O;WQMPSJPGLFFDPX-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361259;MM361259;CCC1CC1(C)N(C)C=O;JNJAJJQDCVEOAR-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361260;MM361260;CC(=NC=NO)N(N)C=O;AOAQAKLBMMUPJN-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361261;MM361261;C=NN(C)C1(C)CC1CC;AHCVLHRJHJGWJW-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361262;MM361262;CC(=CCC=NN)C(C)O;FJNKTWGBWZGRAN-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361263;MM361263;C=CC(N)C1(C)OC1CC;WXOXTOBPBGHGNE-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361264;MM361264;CNC(=NN(C)C=O)NN;VGKJVIIRSHEPEH-UHFFFAOYSA-N;145.17;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361265;MM361265;C=CC(N)C1(C)CN1CC;RYWZQLRLHGCBTR-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361266;MM361266;CC(=NC=NO)N(O)C=N;XNXIUXTXWNDBPU-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361267;MM361267;C#CC(C)C1(C)CC1CN;POCRVIUXBQODGI-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361268;MM361268;CC(=NC=NO)N(O)C=O;UUKVABPCIHQSEQ-UHFFFAOYSA-N;145.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361269;MM361269;C#CC(C)C1(C)CC1NC;XVZPEAZLDARTJQ-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361270;MM361270;C=CC1(CO)CC(C=O)C1;AZMJPVALTQDUGB-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361271;MM361271;C#CC(C)C1(C)OC1CC;YAEXOFWXPHQPJT-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361272;MM361272;C=NN(C)C(C)=NC=NO;UOXYUZTZWQITOG-UHFFFAOYSA-N;142.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361273;MM361273;C#CC(N)C1(C)OC1CC;NHLQWESWZNFMAJ-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361274;MM361274;C=CN(C)C(C)=NN=CC;GCXLCFKHYWDZEB-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361275;MM361275;C=CC1CC1(C)C(C)CC;QRMKZKSZVLIZEN-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361276;MM361276;CC=NN=C(C)N(C)C=O;NEFQZDMMIDPRLR-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361277;MM361277;CCC(C)C1(C)CC1C=O;QMASOASBDPVROO-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361278;MM361278;C=CN(N)C(C)=NN=CC;IGLOLFUBTYDHPG-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361279;MM361279;C=CC1CC1(C)C(N)CC;XFDRLVJZXWMOAB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361280;MM361280;C#CC1(C=C)CC(=O)CN1;DVUFTIYFTMMLOG-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361281;MM361281;CC(O)C1CC1C#CC#N;HRELYSSCRCTXBA-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361282;MM361282;N#CC12C=CC(CO)(C1)C2;DTRBNIKKRZQFQC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361283;MM361283;C#CC#CCC(O)C1CC1;URSGYZKJVFMIMY-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361284;MM361284;C=CN(N)C(N)=NNC=N;TZJCCERJGALCNA-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361285;MM361285;C=CC1OC1(C)C(C)CC;KBVBIDJXNWGNLW-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361286;MM361286;N=CNN=C(N)N(N)C=N;JIYKBRDKIGIVPX-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361287;MM361287;C=NN(C)C(C)=NN=CC;YJXCEODEEJNCQL-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361288;MM361288;CCC(C)C1(C)CN1C=N;IECDFZQOEPQQSW-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361289;MM361289;C#CC(C)C(C)=CC=CC;JRPHATCEJKLZMQ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361290;MM361290;CCC(C)C1(C)CN1C=O;XBJPHZKCPTUSOW-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361291;MM361291;C#CC(N)C(C)=CC=CC;SJMOJFKXDJFECL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361292;MM361292;CCC(N)C1(C)CN1C=N;ZOEFHPCPZYORLU-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361293;MM361293;C#CC(N)C(C)=CC=CF;HAOIJEOZISTNJB-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361294;MM361294;CC1(C(N)CN)CN1C=N;OQKBAPWAQXUABC-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361295;MM361295;C#CC(O)C(C)=CC=CC;OFJVJKLMCKXCLM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361296;MM361296;CCC(O)C1(C)CN1C=O;DYRPAMYQMOSHHL-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361297;MM361297;C#CC(F)C(C)=CC=CC;LBGLWGLURFFLFK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361298;MM361298;CNC(C)C1(C)CN1C=N;VRRVXZIXQABXMZ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361299;MM361299;C#CC(C)C(C)=CC=NN;TUIJNYAFSYAHFX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361300;MM361300;C=NN1CC1(C)C(C)CC;BHHZOVRLBIFFFU-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361301;MM361301;C#CC(C)C(C)=CC=NO;DDIRXPZKVMTOSL-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361302;MM361302;C=NN1CC1(C)C(N)CN;RRQGCYFTTNHRQF-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361303;MM361303;C#CC(N)C(C)=CC=NO;QUTYLUNHOZTTMZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361304;MM361304;CCCC(C)CO;PFNHSEQQEPMLNI-UHFFFAOYSA-N;102.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361305;MM361305;C=CC(O)CCCC=CC;ACVVBYRYWDZAIR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361306;MM361306;C=CC(C)C1(C)CC1C=C;WKLFRXRAOPXJET-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361307;MM361307;C#CC(C)C(F)=CC=NO;HECMZJMWHZGABP-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361308;MM361308;CC1(C(O)C=O)CN1C=O;KRIMPDJXEFPNNK-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361309;MM361309;C#CC(O)C(C)=NN=CC;LYRPBQFVCDGXRS-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361310;MM361310;CCCCC(C)CO;LCFKURIJYIJNRU-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361311;MM361311;C#CC(F)C(C)=NN=CC;DXFKQGSYGUJKKY-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361312;MM361312;C=NN1CC1(C)C(C)C#N;OJANXJWHAPDXSG-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361313;MM361313;C=C(CN)C(C)=CC=CC;ALQZERCBCPUAKN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361314;MM361314;C#CC(N)C1(C)NC1C=C;DBVIQDPVJRVXFS-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361315;MM361315;C=CC(O)CCCC=CF;AQWHRAQQNLCHOH-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361316;MM361316;CC=CC=C(C)C(=O)CC;DYIIEUIGTQKOBS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361317;MM361317;C#CC(N)C1(C)CN1C=N;DASCFIGUTVCNJS-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361318;MM361318;CCC(=O)C(C)=CC=CF;QAYRJIOYYKWQNJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361319;MM361319;C#CC(C)C1(C)CN1N=C;YHDAXRXZQLZWMK-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361320;MM361320;C=C(CC)C(F)=CC=CF;MMAAEQZCOGEGCD-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361321;MM361321;C#CC1CC1(C)C(C)CC;SXWBVHHAPIOZEY-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361322;MM361322;C=C(CN)C(F)=CC=CF;HZAJCCYBFSQBFA-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361323;MM361323;C#CC1CC1(C)C(N)CN;ASNJHNMSDBPOLV-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361324;MM361324;O=C(CO)C(F)=CC=CF;MAUIOBGNPLRYMO-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361325;MM361325;C#CC1CC1(N)C(C)CC;INDKEYIUQZNMQF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361326;MM361326;CCC(=O)C(C)=CC=NO;HHBHCKPFUUFVHI-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361327;MM361327;C#CC1NC1(C)C(C)CC;XUMSKLUXSAPFHC-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361328;MM361328;CC(=CC=NO)C(=O)CO;YWWYSPDVEJPKEA-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361329;MM361329;C#CC1OC1(C)C(C)CN;ZCAWFGLVHMIEAR-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361330;MM361330;COC(=O)OC=NNC=N;HVCSJTAIYNJPQZ-UHFFFAOYSA-N;145.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361331;MM361331;C=C(CN)C1(C)CC1CC;OZLUBUBWWJFORL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361332;MM361332;NC(=CC=NO)C(=O)CF;CMMINBNVTKQXIL-UHFFFAOYSA-N;146.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361333;MM361333;CC(CO)CCCF;NBDITIILTJYGEZ-UHFFFAOYSA-N;120.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361334;MM361334;C=C(CC)C(F)=CC=NO;BYLXLBKLYBJDQN-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361335;MM361335;CCC1CC1(C)C(=N)NC;YTVABUHSSBNGEB-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361336;MM361336;CC=CCC=CC(O)CC;CMEBTONXKHIKQX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361337;MM361337;C=C(CC)C1(C)CC1NC;YSXSWEHFLPBZMS-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361338;MM361338;CC=CC=C(C)C(=N)NC;KXDVQQBNOJYAAG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361339;MM361339;C=C(CO)C1(C)CC1NC;HICOETOZZASCIE-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361340;MM361340;CC=CC=C(C)C(=N)NN;NVSYQDVRSMMUTF-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361341;MM361341;C=CC(=C)C1(C)CC1CC;KHGJYPSQGJHEND-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361342;MM361342;CC=CC=C(C)C(=N)NO;ZXQUCDFNPRMBSU-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361343;MM361343;Cc1c[nH]c(N)c1F;NVSJYQLGWDQSEF-UHFFFAOYSA-N;114.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361344;MM361344;CCC(O)C=CCC=NN;UIZNGPJOCQHOPO-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361345;MM361345;CC(C)CCC(C)CO;OBOHUKJIPIBYTA-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361346;MM361346;CNC(=N)C(N)=CC=NN;KTATUCONLNGPGT-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361347;MM361347;CNC(=N)C(N)=CC=NO;HYAJLQSXAKVNNO-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361348;MM361348;C=CC(=C)C1(C)CC1CF;IOVLSFWXYSBFAR-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361349;MM361349;N=C(NN)C(N)=CC=NN;PPDZRYLSSZMIKS-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361350;MM361350;CC1(C(=O)C=O)CC1CO;BQKDNQLKXBZRHN-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361351;MM361351;N=C(NN)C(N)=CC=NO;DWNTTWXEYXDYGM-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361352;MM361352;C=CC(=C)C1(N)CC1CF;XPHWOIBSWPNDNZ-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361353;MM361353;N=C(NO)C(N)=CC=NN;RYLGFQUDISMSTQ-UHFFFAOYSA-N;143.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361354;MM361354;C=CC(=C)C1(N)CC1NC;DBCNJGGHPVHUSX-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361355;MM361355;N=C(NO)C(N)=CC=NO;QLXXIWYJXHEUAE-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361356;MM361356;C#CC(=C)C1(C)CC1CC;IURULBUQBAGHTA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361357;MM361357;CNC(=O)C(=N)C=CNO;QNMDLFVJCBUROE-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361358;MM361358;C#CC(=C)C1(C)CC1CN;FPNSAHKKWGAQBC-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361359;MM361359;C#CC(C=CC)C(O)C=C;IHPQBKKKMGTGCF-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361360;MM361360;CC(O)CCC(C)CO;DLPUSSBLZXSHCZ-UHFFFAOYSA-N;132.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361361;MM361361;NN=CC=C(F)C(=O)NO;QYSOFULBYYQCOL-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361362;MM361362;C#CC(=C)C1(C)CC1NC;YAAZRMVPUNQKHH-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361363;MM361363;COC(=O)C(C)=CC=CF;FRNJSUQNBYFKII-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361364;MM361364;C=CC1CC1(C)C(=C)CC;ICWIOTBGZADCJT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361365;MM361365;C=C(CN)C(C)=NN=CC;RGNAPEHMRJDQEL-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361366;MM361366;C=CC1CC1(C)C(=C)CN;SUVWHRLWMAKBQJ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361367;MM361367;C=C(CO)C(C)=NN=CC;FGTMCYXOPJGSPU-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361368;MM361368;CC(F)CCC(C)CO;NCCKULCUZHYHJB-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361369;MM361369;C=C(CF)C(C)=NN=CC;VIRMWMZMCPCJIH-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361370;MM361370;C=C(CO)C1(C)CC1C#N;XYCWWIOIBABEDZ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361371;MM361371;CC=NN=C(C)C(=O)CC;BTVFGRILJDRJJA-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361372;MM361372;C=CC1CC1(C)C(=O)CO;VRXFIRHOALDION-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361373;MM361373;CC=NN=C(C)C(=O)CF;YBQZXAFHOJWVEK-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361374;MM361374;C=C(CC)C1(C)CN1C=N;OARCJKPLQQWPLP-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361375;MM361375;CC=NN=C(C)C(=N)NC;NNAMVHIRWITLOM-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361376;MM361376;C=C(CN)C1(C)CN1C=N;QKGLPPSLVKLPHX-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361377;MM361377;C#CC(F)C(=NCC)NN;UZIQZRZZAITIEJ-UHFFFAOYSA-N;143.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361378;MM361378;C=C(CO)C1(C)CN1C=N;SXVAMOFSLFBWDY-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361379;MM361379;CC=NN=C(C)C(=O)NC;DGMARMODFGVOPG-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361380;MM361380;C=C(CF)C1(C)CN1C=N;DNBLPBFDBLYSAL-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361381;MM361381;C=C(OC)C(C)=NN=CC;QNCQWKLNIMLHSD-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361382;MM361382;CC=NN=C(C)C(=O)OC;UBASNQIAVHBFJT-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361383;MM361383;C=C(CC)C1(C)CN1C=O;XMVYGHGUVVHYDI-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361384;MM361384;C=CC(=C)C(C)=CC=CC;UDAANSVECLZQMF-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361385;MM361385;C=C(CO)C1(C)CN1C=O;SLPFQTSMNFFJEC-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361386;MM361386;C=CC(=C)C(C)=CC=CF;MZGZHXFLBPCTFX-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361387;MM361387;CCC(=O)C1(C)CN1C=N;WBXPQDLPKYWGMS-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361388;MM361388;C=C(C=O)C(C)=CC=CC;XDLPWXHTBDTQRV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361389;MM361389;CC1(C(=O)CO)CN1C=O;LFSMBUFCGJTJNM-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361390;MM361390;C=C(C#N)C(C)=CC=CC;PBBWCLQGYSEZRO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361391;MM361391;CC1(C(=O)CF)CN1C=O;XHOAAZTYKGEDTB-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361392;MM361392;C=C(C=O)C(C)=CC=CF;MQYNHOVMHDKMLA-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361393;MM361393;CC1(C(=N)NN)CN1C=N;KBRSLUOMJDYOKN-UHFFFAOYSA-N;141.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361394;MM361394;C=CC(=O)C(C)=CC=CC;XYSGSTMSZJPMTA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361395;MM361395;CC1(C(=N)NN)CN1C=O;MBVRYUHMEPMLHY-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361396;MM361396;C=CC(=O)C(C)=CC=CF;WJROTVSSYSPLGQ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361397;MM361397;C=NN1CC1(C)C(=C)CN;XPBHLXPYORDLHO-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361398;MM361398;CC=CC=C(C)C(=O)C=O;KEAPAHXQKBZUME-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361399;MM361399;CC(CO)CCC(F)F;ZOTUJCJQYDGMQD-UHFFFAOYSA-N;138.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361400;MM361400;CC=CC=C(C)C(=O)C#N;IBEUWMFFFBUWRL-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361401;MM361401;C=NN1CC1(C)C(=C)CF;CMDKNWNKJQBJBP-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361402;MM361402;C=CC(=C)C(F)=CC=CC;DHEVLEHOIMDFRC-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361403;MM361403;C=NN1CC1(C)C(=O)CC;HXYYOJMHNGFVQP-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361404;MM361404;C=C(C=O)C(F)=CC=CC;RFNZLFKIWIBSTM-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361405;MM361405;C=NN1CC1(C)C(=N)NN;DBSRELALVWPCRR-UHFFFAOYSA-N;141.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361406;MM361406;C=C(C=O)C(F)=CC=CF;INAKQYGSXYJNHB-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361407;MM361407;C=CC(O)CCC(C)C;OFNYXDIRKYYFBI-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361408;MM361408;C=CC(=O)C(F)=CC=CC;MGIJQJNCOMXBFY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361409;MM361409;C=NN1CC1(C)C(=O)OC;PVAYRIZEYTWXLZ-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361410;MM361410;CC=CC=C(F)C(=O)C=O;FQJDVNCMHINRIM-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361411;MM361411;C=CC(=C)C1(C)CC1C=C;WJPPTWLWYJDAAK-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361412;MM361412;O=CC(=O)C(F)=CC=CF;BMURIDVZXFTMNQ-UHFFFAOYSA-N;146.09;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361413;MM361413;C=CC1CC1(C)C(=C)C=O;WBNIZUDLNQBONV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361414;MM361414;C=C(C#N)C(C)=CC=NO;ZJQHZUOUCPNBHS-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361415;MM361415;C=CC1CC1(C)C(=C)C#N;DLFUHEKQVIASIR-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361416;MM361416;C=CC(=O)C(C)=CC=NO;AANTZEKDKBAYDN-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361417;MM361417;C=C(C#N)C1(C)CC1C#N;FJAVVBZWVPMQOV-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361418;MM361418;C#CCC(C#N)ON=CC;FIGZAUNMOAZOHS-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361419;MM361419;C=CC(=O)C1(C)CC1C=C;OPRGNLPMPBEIMG-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361420;MM361420;C=C(C=O)C(F)=CC=NO;OTUCBDMSERKLMH-UHFFFAOYSA-N;143.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361421;MM361421;C=CC1CC1(C)C(=O)C=O;JRJGXJHFQAPFGN-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361422;MM361422;C=CC(=C)C(C)=NN=CC;NNRJRYUPTCFKTD-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361423;MM361423;C=CC(=O)C1(C)NC1C=C;KQNTXVOXQXQEBQ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361424;MM361424;C=CC(=O)C(C)=NN=CC;KCTFHQXNVHLGET-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361425;MM361425;C=C(C#N)C1(C)CN1C=N;FFZGSHWWWFBHBE-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361426;MM361426;CC=NN=C(C)C(=O)C#N;VOVNSDQHMYNLJN-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361427;MM361427;C=CC(=C)C1(C)CN1C=O;WCRQDVUURGUEPB-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361428;MM361428;C#CC(=C)C(C)=CC=CC;BUDFADNIENOHJA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361429;MM361429;C=C(C#N)C1(C)CN1C=O;MOVHNKHSVQABMY-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361430;MM361430;C#CC(=O)C(C)=CC=CF;ZLIBTOORJGMUOS-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361431;MM361431;C=CC(=O)C1(C)CN1C=N;MATBEPIRZWCJGD-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361432;MM361432;C#CC(=C)C(F)=CC=CC;GFJOIMPAYUNSPI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361433;MM361433;C=CC(=O)C1(C)CN1C=O;MOZOHQISNQWFOW-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361434;MM361434;C#CC(=C)C(C)=CC=NN;ZXOLEJSWQOOAOQ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361435;MM361435;CC1(C(=O)C=O)CN1C=O;YJCZBPZCNRWWLL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361436;MM361436;C#CC(=C)C(C)=NN=CC;JYBDLDGXLRFCNZ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361437;MM361437;C=NN1CC1(C)C(=C)C#N;RWKDRDQAQBVVJX-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361438;MM361438;C#CC(=O)C(C)=NN=CC;GFYSVWUZLSHQKW-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361439;MM361439;C=CC(=O)C1(C)CN1N=C;NIFOZCPLZIWLJY-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361440;MM361440;CC#CC=C(C)C(C)CC;DUSPYODWBRYIOR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361441;MM361441;C=NN1CC1(C)C(=O)C#N;OUKGGXALQIBOIF-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361442;MM361442;CC#CC=C(C)C(C)CN;VATCQDCTTJUHGC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361443;MM361443;C#CC(=C)C1(C)CC1C=C;QFOIQHXXUOJZIZ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361444;MM361444;C#CC(=C)C1(C)CC1C#N;OXPBVIWZEJUSTI-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361445;MM361445;CC#CC=C(C)C(N)CC;ZZBMUNRDISRRKE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361446;MM361446;C#CC(=C)C1(C)NC1C=C;KNSXUVRLXYQATC-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361447;MM361447;CC#CC=C(C)C(N)CO;HGMKYPSSKNJJKM-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361448;MM361448;C#CC(=C)C1(C)CN1C=N;MEORWVSYGMFHRD-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361449;MM361449;C#CC#CC(C#N)NCC;JVMORNYTIJZDIB-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361450;MM361450;C#CC(=C)C1(C)CN1C=O;PLRWCAINYMWLTC-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361451;MM361451;CC#CC=C(C)C(O)CN;YZBOXMOGBGWQQT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361452;MM361452;CCC(O)C=CC(C)C;LPKMOBJRIAJMCQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361453;MM361453;CC#CC=C(C)C(O)CO;VGNVCCXHAQYSPO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361454;MM361454;C#CC(=C)C1(C)CN1N=C;OEJILRDGGDTFRE-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361455;MM361455;CC#CC=C(C)C(F)CN;YKLHJNOAVVYTHB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361456;MM361456;C#CC1CC1(C)C(=C)CN;JXHLCHCWADXTKG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361457;MM361457;CC#CC=C(F)C(C)CC;HNJIGGAJEMQLHK-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361458;MM361458;C#CC1(CO)CC(C)C1;VZJVRYXDZXXAMD-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361459;MM361459;CC#CC=C(F)C(N)CC;PZXCIOWBZUGYJJ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361460;MM361460;C#CC1CC1(C)C(=C)CF;WWZMNLWHHWBNHE-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361461;MM361461;CC#CC=C(F)C(N)CN;JGCBSSLZAIXTBB-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361462;MM361462;C#CC1CC1(N)C(=C)CC;JXPZLRMNJKAOLM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361463;MM361463;CC#CC=C(F)C(O)CO;NIGZNGDIWUHNJB-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361464;MM361464;C#CC1NC1(C)C(=C)CC;QFENNADNLOIPQS-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361465;MM361465;CC#CC=C(F)C(O)CF;HCQDUCFVODZQDT-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361466;MM361466;C#CC1CC1(C)C(=C)C#N;OPMBWHOVZYDTKL-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361467;MM361467;CC#CC=C(F)C(F)CO;HKMTYVAGHXOUDX-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361468;MM361468;C#CC1CC1(C)C(=O)C=C;ZLVFCFUZMYGGON-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361469;MM361469;CC#CC=C(C)C(C)NC;NOPOVNRKYKJPEL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361470;MM361470;C#CC(=C)C1(C)CC1C#C;WGRYULQOVHTVRR-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361471;MM361471;CC#CC=C(C)C(C)OC;WMNHSTXIIUWJKM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361472;MM361472;C#CC(=C)C1(C)NC1C#C;NATBFWLUNRABHL-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361473;MM361473;C=CC(C)C(C)=CC#CC;HZXQEOVQDOWYGK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361474;MM361474;CCOCC1(C)CN1C=N;XILYLVCTICIYFE-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361475;MM361475;CC#CC=C(C)C(C)C#N;LWJIOGLZNNWRNX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361476;MM361476;CC1(CCC=O)CN1C=N;LLRVLDVTCXPOIM-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361477;MM361477;C=CC(N)C(C)=CC#CC;FUOWVMYZNYDAPX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361478;MM361478;C=CC#CC(C)C(C)O;GDENKJBAQXNBHL-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361479;MM361479;CC#CC=C(F)C(O)C#N;WRXAXDDZEXYWIV-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361480;MM361480;CCCCCC(C)CO;QZESEQBMSFFHRY-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361481;MM361481;C#CCCC1(C)CN1C=N;AVYQDNYAXCONKT-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361482;MM361482;CC#CC=C(C)N(C)C=N;FNGAFEZULZQMBF-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361483;MM361483;C#CCCC1(C)CN1C=O;HGLAHRRCRKUFKZ-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361484;MM361484;CC#CC=C(C)N(C)C=O;VBHLQGBYPUHQTO-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361485;MM361485;C#CCCC1(C)CN1N=C;DHEMMGUFIAPYAJ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361486;MM361486;CC#CC=C(C)N(N)C=O;GIFCROMGVINXQH-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361487;MM361487;C#CC1CC1(C)CCOC;JWCQPYZMVSHVGL-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361488;MM361488;C#CC(C)C(C)=CC#CC;QMHFHLOWBAMKOQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361489;MM361489;CC(CO)CCCCF;LRKVBPPVEFHXMG-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361490;MM361490;C#CC(N)C(C)=CC#CC;LTXRKNMRLSZOKY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361491;MM361491;C#CC1CC1(C)CC#CC;VPUCIOQSOOEEKO-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361492;MM361492;C#CC(O)C(C)=CC#CC;OZRBHYBGMCHMPX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361493;MM361493;CC(CF)C1(C)C(C)C1C;VKBKLORTOHKSNW-UHFFFAOYSA-N;144.23;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361494;MM361494;C=C(CN)C(C)=CC#CC;ZOEULCYFWOYCHJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361495;MM361495;CC(C#N)C1(C)C(C)C1C;KHDNJIJSKXSGHE-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361496;MM361496;CC#CC=C(C)C(=O)CC;FNQRXVKRHMCTRY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361497;MM361497;C=NN(C)C1(C)C(C)C1C;QDAUSGPBUSATKQ-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361498;MM361498;CC#CC=C(C)C(=O)CO;HFVRMGBNLVKHRL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361499;MM361499;COCCCC(C)CO;JJNAQBIHLLWUMA-UHFFFAOYSA-N;132.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361500;MM361500;CC#CC=C(C)C(=O)CF;XCKLGUGOYOCIBT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361501;MM361501;C=C(CN)C1(C)C(C)C1C;HRFLZNODDCQHHY-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361502;MM361502;C=C(CC)C(F)=CC#CC;RGMBXQNEGYSJAQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361503;MM361503;CCCCC1(C)C(C)C1C;FJBKYWKJNYYEOR-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361504;MM361504;C=C(CN)C(F)=CC#CC;SFXPQZORCOBTEA-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361505;MM361505;CC1C(C)C1(C)CCCN;RVRAJMAZNQRBON-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361506;MM361506;CC#CC=C(F)C(=O)CF;GBDPPAJUAXUJRV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361507;MM361507;CC1C(C)C1(C)CCCF;WYVPKWCWSZHQFH-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361508;MM361508;CC1C(O)C1CC1(C)CC1;XTHUYQIUFPLLAS-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361509;MM361509;CCCCC1(C)C(C)C1N;YREKMDHMKROTJI-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361510;MM361510;CC#CC=C(F)C(=O)NC;OFGMCYNPGOKFMX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361511;MM361511;CC1C(N)C1(C)CCCN;YYXKZTIFDIZIPI-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361512;MM361512;C=C(C=O)C(C)=CC#CC;UHWAVYOIAMOECF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361513;MM361513;C=CCCCC(C)CO;UVGLIWCAMUOQPL-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361514;MM361514;C=C(C#N)C(C)=CC#CC;FABIHZCROZELHI-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361515;MM361515;CCCCC1(C)C(N)C1N;APVQXLDAWLRCJX-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361516;MM361516;C=CC(=O)C(C)=CC#CC;CMENITALDYEGLZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361517;MM361517;CC1(CCCN)C(N)C1N;JZLPXVGRRPXOKC-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361518;MM361518;CC1(CCCN)C(N)C1O;HKSZAWZFXYFKAN-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361519;MM361519;CC#CC=C(C)C(=O)C=O;ULKBGSIUMBIDPX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361520;MM361520;CC1(CCCO)C(O)C1O;DDRBYVAADNWYSZ-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361521;MM361521;C=CC(=O)C(F)=CC#CC;LJKZAIGBAZPFEM-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361522;MM361522;CCCCC1(N)C(C)C1C;LHYPAWYMRDWBJP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361523;MM361523;CC=C(C)C(C)=CCCO;YEWUPHOSDPHWOY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361524;MM361524;CC1C(C)C1(N)CCCO;YAVQURWNMXFHPK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361525;MM361525;CC(=CF)C(C)=CCCF;FXOZXDNBFAGGIV-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361526;MM361526;CC1C(C)C1(N)CCCF;QAHHKTVDKWZLQZ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361527;MM361527;CC=C(F)C(C)=CCCN;QCPQBWJAZGCSCX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361528;MM361528;CCCCC1(N)C(C)C1N;UPBBDOYRLMYTIL-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361529;MM361529;CC(=CCCF)C(F)=CF;QQMWFYRQTGBIQS-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361530;MM361530;CC1C(O)C1(N)CCCO;GJVLHAQRIKZFEP-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361531;MM361531;CC=C(C)C(F)=CCCN;NJBJJXNBJCLPQZ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361532;MM361532;CC1C(C)C1(O)CCCN;NCMKPRPFUKJACA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361533;MM361533;CC(=CF)C(F)=CCCN;WRIIVVRGLTYXRS-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361534;MM361534;CC1C(C)C1(O)CCCO;ZHRAGDKENXUNDP-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361535;MM361535;CC(=CF)C(F)=CCCO;RPUZMIDJNGZZAG-UHFFFAOYSA-N;148.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361536;MM361536;CC1C(C)C1(O)CCCF;PKZOAPWTFHBRFQ-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361537;MM361537;CC(=CF)C(F)=CCCF;BRBHTJNAFLZKPD-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361538;MM361538;CC1C(C)C1(F)CCCN;PNCFCMBKHXJFNK-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361539;MM361539;NCCC=C(F)C(F)=CF;SRZRXDSLIHTZJK-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361540;MM361540;CC1C(C)C1(F)CCCF;ISTLNEHXQGDKCE-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361541;MM361541;CC=C(C)C(C)=CCNC;OSNRHOXXTCHCFS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361542;MM361542;CNCCC1(C)C(C)C1C;IANZXZLUVWSRFE-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361543;MM361543;CC=C(F)C(C)=CCNC;WRXLCHPRLOUUJJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361544;MM361544;CNCCC1(C)C(C)C1N;KHCAEENSTJGTEH-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361545;MM361545;CNCC=C(C)C(F)=CF;ICHXKKBSFGZPLX-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361546;MM361546;CNCCC1(N)C(C)C1C;RRCGBYCYQFIUAE-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361547;MM361547;CC=C(C)C(F)=CCNC;PVBHDMUWRLWRER-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361548;MM361548;CNCCC1(N)C(C)C1N;SQZGQMZFPPYKQF-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361549;MM361549;CNCC=C(F)C(C)=CF;FMSPQYAKHFZGLN-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361550;MM361550;COCCC1(C)C(C)C1C;DNCRKYLFAQYIST-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361551;MM361551;CNCC=C(F)C(F)=CF;OPXVUEOMEIRYAF-UHFFFAOYSA-N;151.13;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361552;MM361552;COCCC1(C)C(C)C1N;PCOSYAQVILSZCN-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361553;MM361553;CCCC=C(C)C(C)=NN;BXQLJLPENXYHSX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361554;MM361554;COCCC1(O)C(C)C1C;VVJQMRPGIVOVFJ-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361555;MM361555;CCNCC1(C)C(C)C1C;WHJBDZYYHXYGMF-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361556;MM361556;CC(=CCCN)C(C)=NO;AJABIEGUSKJRQS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361557;MM361557;CCNCC1(C)C(C)C1N;KNKLYTDYNVDVGP-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361558;MM361558;CC(=CCCF)C(C)=NO;PWUTYYVSFFXUHT-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361559;MM361559;CCNCC1(C)C(N)C1N;FSYCSTOENPGHFL-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361560;MM361560;COCC=C(C)C(C)=NN;PFEFDDQHCATEEO-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361561;MM361561;CCNCC1(N)C(C)C1C;YMZDCBOVFJNGMQ-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361562;MM361562;COCC=C(F)C(C)=NO;DLHVGOWEWRGUTE-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361563;MM361563;CCNCC1(N)C(C)C1N;ORNKLXWIHLTYOA-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361564;MM361564;CC=C(C)C(C)=COCC;SIRKIZIGINRFNK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361565;MM361565;CCOCC1(C)C(C)C1C;FUSFOECSGHFTSM-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361566;MM361566;CCNN=C(C)C(F)=CF;LPBPSEQQPUCAFF-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361567;MM361567;CCOCC1(C)C(C)C1O;IJVQPLIHZHQXTC-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361568;MM361568;CCON=C(C)C(C)=CF;ROHMKVYZSYUHKI-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361569;MM361569;CCCNC1(C)C(C)C1C;FEJGKSWWMRRLCT-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361570;MM361570;CC=C(F)C(C)=NOCC;VPUCWTDMAZRHLZ-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361571;MM361571;CC1C(C)C1(C)NCCO;WINJTBKZWAKEQO-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361572;MM361572;CCON=C(C)C(F)=CN;YHSYSHDVYQLLRY-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361573;MM361573;CCCNC1(C)C(N)C1N;FLIJXZGVGQUVTJ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361574;MM361574;CCON=C(C)C(F)=CF;GZRPVMZTZSSDMW-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361575;MM361575;CC1(NCCO)C(N)C1N;YGEJHOKGIXVKEO-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361576;MM361576;C#CC(C#C)NN=COC;BQNOCGPCXDFHDD-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361577;MM361577;CC1(NCCF)C(N)C1N;UALSYZFVYVOEGI-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361578;MM361578;CC(=CF)C(C)=CCC=O;NAIVSFSYUGOLAC-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361579;MM361579;CCCOC1(C)C(C)C1C;AMAPODSXSCPYJJ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361580;MM361580;CC=C(F)C(C)=CCC=O;XQOTWAOKQONJDJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361581;MM361581;CC1C(C)C1(C)OCCN;GVIGKBGPMKKLEO-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361582;MM361582;CC(=CCC=O)C(F)=CF;VLDXDBVBXWBQHZ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361583;MM361583;CC1C(C)C1(C)OCCF;MOUNMDFFXRBZDA-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361584;MM361584;CC(=CF)C(F)=CCC#N;FWLQTCZRIDUAOD-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361585;MM361585;CCCOC1(C)C(C)C1N;BVZFHSUTWMIITJ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361586;MM361586;C=CCC=C(C)C(C)=NN;BSCFVUYWCPPCFL-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361587;MM361587;CC1C(N)C1(C)OCCO;CFRJRNRYBDLTLD-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361588;MM361588;C#CC1(C#N)CN=CN1C;UOONKFOKJNUSTH-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361589;MM361589;CC1C(N)C1(C)OCCF;TYAWVALKHIIACS-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361590;MM361590;CC(=CCC=O)C(C)=NO;DFDMKCLMUSOMPO-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361591;MM361591;CC1(OCCN)C(N)C1N;JWDBKGFQPMQVIO-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361592;MM361592;CC1(OCCO)C(N)C1N;VVWGPABRMRVINO-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361593;MM361593;C=CCC=C(F)C(C)=NN;ITAFHPUQGSLQBQ-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361594;MM361594;COCOC1(C)C(C)C1C;IWZLPTPCTZUDFZ-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361595;MM361595;CC=C(C)C(C)=CNC=N;JQDCMLCLFXNDDY-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361596;MM361596;CNCCC1(C)C(C)N1C;ZEDWHUSSZDJXSF-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361597;MM361597;CC=C(C)C(C)=CNC=O;NOJHNOHYQLWEQX-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361598;MM361598;CCNCC1(C)C(C)N1C;LALOCXFNQOFSHM-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361599;MM361599;CC(=CF)C(C)=CNC=N;IXQMQBMVHDKSLR-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361600;MM361600;CCOCC1(C)C(C)N1C;BTUHFIWNJMQBLS-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361601;MM361601;CC(=CF)C(C)=CNC=O;FDGWGEGKGJFTFS-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361602;MM361602;CC1C(C)C1(C)CCC=O;YJEPDNRARKXOJI-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361603;MM361603;CC=C(F)C(C)=CNC=N;DFDVVCIMPHDFOA-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361604;MM361604;CC1C(C)C1(C)CCC#N;IJKVHNCPDQEWCA-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361605;MM361605;CC=C(C)C(F)=CNC=N;LOIYXBVGEIMJPT-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361606;MM361606;C=CCCC1(C)C(N)C1N;AWSLRNMREYNJKY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361607;MM361607;CC#CC1=CCC(CO)C1;ALZGHFDEHKYNTG-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361608;MM361608;CC(CO)CCCC=O;GCXZGRBDHSMSSS-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361609;MM361609;CC(=CNC=O)C(C)=NO;ZDADSYOLQLSCGA-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361610;MM361610;CC1C(C)C1(O)CCC=O;SFJUFSUNEXAWHL-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361611;MM361611;CCOc1c[nH]c(NC)c1;QRKLIUMOAFRCRD-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361612;MM361612;CC1C(C)C1(F)CCC#N;ABYMSFWOQQADRW-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361613;MM361613;C=COC=C(F)C(C)=CC;JJTMHWGLCBGDQS-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361614;MM361614;CC1C(C)C1(C)CNC=N;VFSSVFBLYRHTKG-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361615;MM361615;CC(=COC=O)C(C)=NN;MYHVDAAOFLKJLS-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361616;MM361616;C#CCCCC(C)CO;DFMBOEVQFXSXPU-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361617;MM361617;CC=C(C)C(C)=NNC=O;ZCTSIPRULGDVEC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361618;MM361618;CC1C(N)C1(C)CNC=N;DJHQFAHHEZKZMR-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361619;MM361619;CC(=CF)C(C)=NNC=O;RJISYEMLXIQEPR-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361620;MM361620;CC1C(N)C1(C)CNC=O;KOQZYWRHUQGDBY-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361621;MM361621;CCNc1cc(OC)c[nH]1;ORPCIVYWZGHMFX-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361622;MM361622;CC1C(O)C1(C)CNC=O;GKXYMTBNUBLMCN-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361623;MM361623;CC(=NO)C(C)=NNC=O;VEYWWHBNNBSJNV-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361624;MM361624;CC1C(C)C1(N)CNC=N;BNKVGPZTAWFUPI-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361625;MM361625;CC(=NOC=O)C(F)=CF;LWNMWJUKQSFTNI-UHFFFAOYSA-N;149.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361626;MM361626;CC1C(C)C1(N)CNC=O;IKXIGMJUEUIMPC-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361627;MM361627;CCc1onc(NC)c1C;AQWHHPGWJHZJKW-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361628;MM361628;CC1C(N)C1(N)CNC=O;JOTILKUATDVVBW-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361629;MM361629;C#CCC=C(C)C(C)=CC;WBAPZMVGKGPBFV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361630;MM361630;CC1C(C)C1(O)CNC=O;UKKMQFWORRWXST-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361631;MM361631;C#CCC=C(C)C(C)=NN;RSHDLSZZVKGTKX-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361632;MM361632;CC1C(N)C1(O)CNC=N;BZIBJMTVHPRYOQ-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361633;MM361633;C#CCC=C(F)C(C)=NN;FBLOADYKLPZRCU-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361634;MM361634;CC1C(N)C1(O)CNC=O;UYLJGDDKZSYQBT-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361635;MM361635;CC=CC=C(C)C(C)=CF;FIAXIZDGJBISQG-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361636;MM361636;C=NOC(C#CC)OC;CKXHDHSACCGELB-UHFFFAOYSA-N;127.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361637;MM361637;CC(=CF)C(C)=CC=CF;RHPIKUVSJQUZMC-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361638;MM361638;C=NNCC1(C)C(N)C1N;GUPXIOQZIOXECF-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361639;MM361639;CC=CC=C(F)C(C)=CF;YFFIKLBPNFYLQA-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361640;MM361640;C=NNCC1(N)C(C)C1C;MTZUHJPAYRFBFZ-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361641;MM361641;CC(=CF)C(C)=CC=NN;RCPFAUGMEMHPRT-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361642;MM361642;C=COCC1(C)C(C)C1C;WKZQURZOSCAIRT-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361643;MM361643;CC(=CF)C(C)=CC=NO;RZEXTYIVCUKSCE-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361644;MM361644;CC1C(C)C1(C)COC=O;FDTNGVQQNDJSTD-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361645;MM361645;CC=C(F)C(C)=CC=NO;IDRXJBVMCZAPGI-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361646;MM361646;C=COCC1(N)C(C)C1C;LATNPIGTLISREB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361647;MM361647;NN=CC=C(N)C(F)=CF;MEWWBMWHIVFACJ-UHFFFAOYSA-N;147.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361648;MM361648;CC1C(C)C1(N)COC=O;UPNVDQBZDNTCBS-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361649;MM361649;NC(=CC=NO)C(F)=CF;UTKNWAFNVPEOKK-UHFFFAOYSA-N;148.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361650;MM361650;CC1C(N)C1(N)COC=O;WHWBTWQTZACKBV-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361651;MM361651;CC=CC=C(C)C(C)=NN;OXFOXFWMOMTKRZ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361652;MM361652;C=COCC1(O)C(C)C1C;LBWIMUUZZCPIKE-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361653;MM361653;CC=NN=C(C)C(C)=CF;BOMBWNVAMIJMQS-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361654;MM361654;CC1C(C)C1(O)COC=O;WIDZZUBSEJPLBB-UHFFFAOYSA-N;144.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361655;MM361655;CC=NN=C(C)C(F)=CC;ACEWNYNHAJSWJL-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361656;MM361656;C=NOCC1(C)C(C)C1C;RVTVTJALIOFGAP-UHFFFAOYSA-N;141.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361657;MM361657;CC=NN=C(C)C(F)=CF;YVMJRALKRPXKJQ-UHFFFAOYSA-N;146.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361658;MM361658;C=NOCC1(C)C(C)C1N;SDRJNNYSYYVMNB-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361659;MM361659;CCCN=CNN=COC;YVJOWDGWQIGKQN-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361660;MM361660;C=NOCC1(N)C(C)C1C;WPKXVDRCTUHLTR-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361661;MM361661;CC#CC=C(C)C(C)=CC;BUHCEDNMCLVIRN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361662;MM361662;Cn1nc(N)c(N)c1F;FUJGZTKNLRNXGP-UHFFFAOYSA-N;130.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361663;MM361663;CC#CC=C(C)C(F)=CF;PHWOKHPTZSQEME-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361664;MM361664;CC1C(C)C1(C)NCC=O;WALLNQKNVVLJMJ-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361665;MM361665;CC#CC=C(F)C(C)=CC;MVXYSHUCIBYGSU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361666;MM361666;CC1C(C)C1(C)NCC#N;DJMYNSHCEXCOHQ-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361667;MM361667;CC#CC=C(C)C(C)=NN;FGBVBILUVZLJGZ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361668;MM361668;CC1C(C)C1(C)NNC=N;DAHATYRSDVPPEC-UHFFFAOYSA-N;141.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361669;MM361669;CCCCC(C)=C(C)CC;NEORMTLPMDBJCW-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361670;MM361670;CC1C(O)C1(C)NNC=N;YDHTWFSTRIFGJC-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361671;MM361671;CC(CN)=C(C)CCCO;WHDKTWVZVBYRJU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361672;MM361672;CC1C(C)C1(C)OCC#N;KNXJBLJAIKHUHE-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361673;MM361673;C#CC1=C(C)C2C(O)C2C1;DGEAQFHYEIDTBW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361674;MM361674;C=CCOC1(C)C(C)C1N;GIFQNTBPBBRKDD-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361675;MM361675;CC1(C)CC(O)C1;OPDWLEDHLKYURY-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361676;MM361676;CC1C(C)C1(C)ONC=N;WQZADEWCOJUWNE-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361677;MM361677;CC(CF)=C(C)CCCF;XBJLUAFHGBFFTD-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361678;MM361678;CC1C(C)C1(C)ONC=O;JNIINQZYEZQSJQ-UHFFFAOYSA-N;143.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361679;MM361679;CCC(F)=C(C)CCCF;MXUHCOMJILYCHG-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361680;MM361680;CC1C(N)C1(C)ONC=O;MFDFAIXMRYRHOI-UHFFFAOYSA-N;144.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361681;MM361681;CC(CCCN)=C(F)CN;WQYWDRXFZSNRFH-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361682;MM361682;CC(CCCN)=C(F)CF;MFYASJZIWTYBSK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361683;MM361683;CC1N(C)C1(C)CNC=N;CSOPFNOOQWSGOZ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361684;MM361684;CC(CCCF)=C(F)CF;BRXZIVHYVJVGLN-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361685;MM361685;COC1=NC(=N)C(=N)N1;SHJYAUOIDBTQJR-UHFFFAOYSA-N;126.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361686;MM361686;CC1N(C)C1(C)COC=O;XDBFSLNPDYXBMB-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361687;MM361687;CCCCC(F)=C(C)CC;CIEVVHOPZJEOPX-UHFFFAOYSA-N;144.23;3.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361688;MM361688;C#CCCC1(C)C(C)C1C;ORLCVENAAPJUOW-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361689;MM361689;CCC(C)=C(F)CCCN;ZFULQPFWEPEIAX-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361690;MM361690;C#CCCC1(C)C(N)C1O;HJLZMVDUGAKPAW-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361691;MM361691;CCC(C)=C(F)CCCF;IKFSAYBKWGYSFN-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361692;MM361692;C#CCCC1(C)C(O)C1O;OWKYNSASVAYZHW-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361693;MM361693;CCCCC(F)=C(C)CN;MKXIZTKMHABOBB-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361694;MM361694;N#CCC1=CCC(O)C1;FDDVLJSNQBYYNR-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361695;MM361695;CC(CO)=C(F)CCCF;ULMFFNBFGZMORT-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361696;MM361696;C#CCCC1(F)C(C)C1C;FIQNGYPDLYHDGH-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361697;MM361697;CC(CF)=C(F)CCCN;WYCCRPJYSRXDMF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361698;MM361698;CCC(C)C(C)CCCN;CVKFBDPSEYXEHX-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361699;MM361699;CC(CF)=C(F)CCCO;AUSPKGVKLBGKEL-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361700;MM361700;CC(CN)C(C)CCCN;IWLYKYDNWBDXPJ-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361701;MM361701;NCCCC(F)=C(F)CN;IPUXPGNFUWMXHE-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361702;MM361702;CC(CN)C(C)CCCF;UGVZNDILOPQLHQ-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361703;MM361703;CCC(C)=C(C)CCNC;OCKMLAGQYQEYEH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361704;MM361704;CCC(N)C(C)CCCO;WEYLUZWVTVRUQO-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361705;MM361705;CCC(F)=C(C)CCNC;BPYXXMYHKQGKHU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361706;MM361706;CCC(N)C(C)CCCF;ODQLSJHYWLCFBO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361707;MM361707;CNCCC(C)=C(F)CN;QKEGNDCCBAWSEH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361708;MM361708;CCCCC(C)C(N)CN;UQJSMQZHMNRDCI-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361709;MM361709;CNCCC(C)=C(F)CF;HBWNHYVGNOHGTD-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361710;MM361710;CC(CCCN)C(N)CN;QMAMGCMAXQBQFG-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361711;MM361711;CCC(C)=C(F)CCNC;WXSXLAAOXVCPHN-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361712;MM361712;CC(CCCO)C(N)CN;LZAILVPFRDIHSC-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361713;MM361713;CNCCC(F)=C(C)CO;JNBSQXFRHSKANN-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361714;MM361714;CC(CCCN)C(N)CO;UNQUUJKKMNBIGV-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361715;MM361715;CCC(F)=C(F)CCNC;LOYYSVDLZHPKOJ-UHFFFAOYSA-N;149.18;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361716;MM361716;CC(CCCO)C(N)CO;IUTMYFDRUZGKMR-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361717;MM361717;CNCCC(F)=C(F)CN;JXPZSNLQXBLSRD-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361718;MM361718;CCC(O)C(C)CCCN;ROEYPLUQMLTQLU-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361719;MM361719;CNCCC(F)=C(F)CF;WRHMUVJDWPILLO-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361720;MM361720;CCn1cnc(N)c1F;WGZZXFSPIIJKTB-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361721;MM361721;CC1CCC1CO;XKJMEEWZNIOOBO-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361722;MM361722;CCCCC(C)C(O)CN;PISXERNXFRZESU-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361723;MM361723;COCCC(F)=C(F)CO;RDXNSQVVKUXWMC-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361724;MM361724;CC(CCCO)C(O)CN;GSULDRPWIUBSHK-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361725;MM361725;CCCCC(C)=C(C)OC;JIWNKXCVZUUESB-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361726;MM361726;CC(CCCN)C(O)CO;BGECTQIZSRLMTO-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361727;MM361727;C#CC=CCC(C)O;MDMIAHUVUFAFRL-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361728;MM361728;CC(CCCO)C(O)CO;XVEMNTXUYKURFT-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361729;MM361729;COCCC(C)=C(C)OC;HHZGREJUQKYJOB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361730;MM361730;CC(CCCF)C(O)CF;KUMGHVXYQLSDPI-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361731;MM361731;CCNCC(C)=C(C)CC;GEPLQRJHKVCPHS-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361732;MM361732;CCC(F)C(C)CCCF;PPDXPVRVPTZSHW-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361733;MM361733;CCNCC(C)=C(F)CC;LKHIXPOLAQGKCO-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361734;MM361734;CC(CCCN)C(F)CF;JFXZHNOPYHLHNM-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361735;MM361735;CCNCC(C)=C(F)CF;UQCQAAVBKNEXEV-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361736;MM361736;CCCCC(N)C(C)CC;QRFZDIAWFMUCTA-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361737;MM361737;CCOCC(C)=C(C)CN;NGJJRQWDPLDRAY-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361738;MM361738;CCC(C)C(N)CCCO;GQZIORQMDYCQFE-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361739;MM361739;CCOCC(F)=C(F)CO;PPUCPCWBZQOQIU-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361740;MM361740;CCC(C)C(N)CCCF;FUGRODKCDAIVOP-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361741;MM361741;CCC(C)=C(C)OCCN;GRYVJHGSJVHGQN-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361742;MM361742;CCCCC(N)C(C)CF;JATQOKLMNBPRIK-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361743;MM361743;CCC(C)=C(C)OCCO;ISLZJBJRUOSUQC-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361744;MM361744;CC(CF)C(N)CCCO;GEKJTPFRUXNPAH-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361745;MM361745;CCCOC(C)=C(C)CO;MBSOOICQXCXSIG-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361746;MM361746;CCCCC(N)C(N)CC;BFTWWYXHVSKZOJ-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361747;MM361747;CC(CO)=C(C)OCCN;KKXWCACXUHCTTO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361748;MM361748;CCCCC(N)C(N)CN;HIVVCDAYFQLHHN-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361749;MM361749;CC(CO)=C(C)OCCO;BAGNUZWAFZIBCO-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361750;MM361750;CCCCC(N)C(N)CO;LPUDLHSIPGXCBV-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361751;MM361751;CCCOC(C)=C(C)CF;IUUUSZSRLUIMAG-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361752;MM361752;NC(CF)C(N)CCCF;QOWDUAZBVONDJC-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361753;MM361753;CC(OCCF)=C(F)CO;UJNQNLJODSPXTP-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361754;MM361754;CCCCC(N)C(O)CC;STQBCOVDFGFQFK-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361755;MM361755;CCC(C)=C(C)OCOC;KBWANRHXRTYGGY-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361756;MM361756;CCCCC(N)C(O)CN;ANHNHADOAOTGNS-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361757;MM361757;COCOC(C)=C(C)CF;UBLYLMZZOWQFSR-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361758;MM361758;CCCCC(N)C(O)CO;IUZRLWLUGCCBCO-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361759;MM361759;CCCCC(N)C(F)CC;WMQXARNSTUXLBC-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361760;MM361760;COC(C)=C(C)OCCO;KMIODFHBEIBKFV-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361761;MM361761;CCC(C)C(O)CCCF;AHMCZIYMZSRZFU-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361762;MM361762;CCC(C)=C(C)CCC#N;JBZSHXAYCWVLSK-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361763;MM361763;CC(CF)C(O)CCCF;FNBKTVPFPOWELD-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361764;MM361764;C=CCCC(C)=C(C)CN;AFCREFCIBRJZMD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361765;MM361765;NCCCC(O)C(O)CN;GXOYLAPYQQYIJJ-UHFFFAOYSA-N;148.21;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361766;MM361766;C#CCC1(C)CC1O;YJAQPEQHNXASSX-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361767;MM361767;CCCCC(O)C(O)CO;HXYCHJFUBNTKQR-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361768;MM361768;C#CC1(C)C(C)C1O;LECJVRPVJGRFIV-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361769;MM361769;CCCCC(O)C(O)CF;ZAYCJACQDOCHDL-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361770;MM361770;CC(CCC=O)=C(F)CF;VETZMFGWGMYARR-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361771;MM361771;OCCCC(O)C(O)CF;WQKHBFIAKLKFQG-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361772;MM361772;CCC(C)=C(F)CCC=O;PMYNLBMDSYIXDC-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361773;MM361773;CCCCC(O)C(F)CO;WFPBJAKEGPTDBD-UHFFFAOYSA-N;150.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361774;MM361774;C=CCCC(F)=C(C)CN;CRLCCLSRKPQEBY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361775;MM361775;OCCCC(O)C(F)CO;NCAIBVRGHKOZEB-UHFFFAOYSA-N;152.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361776;MM361776;CC(CO)=C(F)CCC=O;OFVSAXUPNYTJNU-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361777;MM361777;CCC(C)C(F)CCCN;LXUIIBSEZWUNNI-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361778;MM361778;C=CCCC(F)=C(C)CF;ILCKROCXYRNOCF-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361779;MM361779;CCCCC(F)C(C)CN;VMFCGFPUBUDZHH-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361780;MM361780;CC(CF)=C(F)CCC=O;CQBQUBQOOSNZPD-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361781;MM361781;CC(CF)C(F)CCCO;IDXSWVGBFXCGBT-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361782;MM361782;COC(C)=C(F)CCC#N;KCOGXOTZCCQKKS-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361783;MM361783;CC(CF)C(F)CCCF;GCNPIKKCYXTXDH-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361784;MM361784;CCC(C)=C(C)CNC=N;GDRHYQKOBCRGAY-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361785;MM361785;NCC(N)C(F)CCCF;LESFNMONFLWGTL-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361786;MM361786;N#CC=C1NN=CO1;KTMJPFBFHVDXQA-UHFFFAOYSA-N;109.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361787;MM361787;NC(CO)C(F)CCCF;UMBDGULKNUIFEG-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361788;MM361788;CC(CF)=C(C)CNC=N;SZPKXVURGOHLKF-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361789;MM361789;NCC(O)C(F)CCCF;LYVPVZPLFRTJJF-UHFFFAOYSA-N;153.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361790;MM361790;OCC(O)C(F)CCCF;OZBNGUJWFRJHGO-UHFFFAOYSA-N;154.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361791;MM361791;N=CNc1ncon1;DFDJVPCQSGECBS-UHFFFAOYSA-N;112.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361792;MM361792;OC(CF)C(F)CCCF;YASVKRMWRZOECR-UHFFFAOYSA-N;156.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361793;MM361793;C#CCC1C(C)C1O;ROFLERDCULUZFC-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361794;MM361794;CCC(F)C(F)CCCN;WOTPMYXTFIOACT-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361795;MM361795;CC(CF)=C(F)CNC=O;QVPGIMLOMOMWPV-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361796;MM361796;NCCCC(F)C(F)CN;FWUDBYMOUKFSJL-UHFFFAOYSA-N;152.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361797;MM361797;C=NNCC(C)=C(C)CC;FWTLRKRPNLCIQQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361798;MM361798;CCC(C)C(C)CCNC;UNEJCIRUXMOOJJ-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361799;MM361799;C=NNCC(C)=C(C)CN;BRTLWVIZTJYFKC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361800;MM361800;CNCCC(C)C(C)CN;MGPMYXBELGSVJS-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361801;MM361801;C=NNCC(F)=C(C)CF;IRZFWGIBRLFIMW-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361802;MM361802;CNCCC(C)C(N)CN;ZNFDPVTVIFBFES-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361803;MM361803;COC(C)=C(F)CNC=O;GAPZOIDHEZCTLE-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361804;MM361804;CNCCC(C)C(O)CO;PQGZMMVSGMVHOX-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361805;MM361805;C=NNCC(F)=C(C)OC;JJHRKVBSQILZPR-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361806;MM361806;CCC(F)C(C)CCNC;HSFYIRHCWQLIGJ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361807;MM361807;C=COCC(C)=C(C)CN;FODUCUSMSVZNPH-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361808;MM361808;CNCCC(C)C(F)CF;QKAHEUGNOCMBMR-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361809;MM361809;CC(CN)=C(C)COC=O;XZMXHIVQHDPFFZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361810;MM361810;CNCCC(N)C(C)CN;WQHRVIBMRNBYGB-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361811;MM361811;CC(CF)=C(C)COC=O;CZQPPCIPXHOLNC-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361812;MM361812;CNCCC(N)C(N)CO;LGSFTRDSHBIYRQ-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361813;MM361813;CCC(F)=C(C)COC=O;IEZUNUCUMATNPL-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361814;MM361814;CNCCC(O)C(O)CO;WEMCTULCLHWDCE-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361815;MM361815;CCC(C)=C(F)COC=O;SGGWNQCBQLQGFY-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361816;MM361816;CNCCC(O)C(O)CF;ASXRLSXBLDVLIO-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361817;MM361817;C=COCC(F)=C(F)CO;RWJOIDDQHANRIO-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361818;MM361818;CCC(C)C(F)CCNC;RPBMESDRQZASDF-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361819;MM361819;O=COCC(F)=C(F)CO;RNSSWXYRHMYYDK-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361820;MM361820;CNCCC(F)C(C)CN;BEOLOQKGLCRQES-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361821;MM361821;C=NOCC(C)=C(C)CN;YGNOVFLRUWNEMB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361822;MM361822;CNCCC(F)C(C)CO;YIUMWXAWUZJULT-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361823;MM361823;CC=CC1C(C)C1O;KMXOYHAHLRVWRP-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361824;MM361824;CNCCC(F)C(C)CF;SCXOFHDTBHKRAQ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361825;MM361825;COC(C)=C(C)COC=O;HDWWONFKBFJDHU-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361826;MM361826;CCC(F)C(F)CCNC;UZGZQWHKSZVSHG-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361827;MM361827;CNCCC(F)C(F)CN;ALOMBBDKIOMYTF-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361828;MM361828;COC(C)=C(F)COC=O;UCOJRPGHXUFPFU-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361829;MM361829;COCCC(C)C(C)CN;AFOUSYFRSYGJJD-UHFFFAOYSA-N;145.25;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361830;MM361830;C=NOCC(C)=C(C)OC;LPCMKAVXFWHANM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361831;MM361831;C#CC(C#C)C(C)CO;PFCCNNHLZAYSLG-UHFFFAOYSA-N;122.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361832;MM361832;C=CCOC(C)=C(C)CC;RPZIEKSSBRJUAQ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361833;MM361833;CCC(N)C(C)CCOC;KUSBGVSCAFHSQI-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361834;MM361834;COC(C)=C(C)OCC#N;ZQXQODHCCDJHTL-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361835;MM361835;COCCC(C)C(N)CF;FLEXQALGRYJQMV-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361836;MM361836;C#CCCC(C)=C(C)CC;YLZNHEUXAYIXNQ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361837;MM361837;COCCC(N)C(C)CO;VXTBMJPPSLFFAW-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361838;MM361838;C#CCCC(C)=C(C)CN;OQKIOUQRQRDWKJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361839;MM361839;CCC(O)C(N)CCOC;FQEQUAFRTBCTBO-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361840;MM361840;C#CCCC(F)=C(C)CN;QYOAAUJIHPRNNZ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361841;MM361841;COCCC(O)C(N)CO;DWJYVXJPPSHXDT-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361842;MM361842;C#CCCC(F)=C(C)CF;YRPHVVQYFGKTIQ-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361843;MM361843;COCCC(O)C(O)CN;ZKNOJLHWVVQDTD-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361844;MM361844;C#CCOC(C)=C(C)CC;YJBFXSLRODZQBG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361845;MM361845;COCCC(O)C(O)CO;YEWUXURCECDCGI-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361846;MM361846;C#CCOC(C)=C(C)CF;VLBKIPRHKJKDEM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361847;MM361847;COCCC(O)C(F)CO;CWMYVRQFWYUVQM-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361848;MM361848;C#CCOC(C)=C(F)CC;WNOJKGOYSZQDKB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361849;MM361849;COCCC(O)C(F)CF;FFFJHUQIUDONON-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361850;MM361850;C=CC(C)=C(C)CCCC;JEFMGLQXRYZNDY-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361851;MM361851;CCC(N)C(F)CCOC;KQBNWIYOMRSYCB-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361852;MM361852;C=CC(C)=C(C)CCCN;DOHMSMJTJXJGLB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361853;MM361853;COCCC(F)C(O)CF;GXDATELFJGAQEV-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361854;MM361854;C=CC(C)=C(C)CCCF;UNJKFYVQZZPHSS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361855;MM361855;CNC(C)C(C)CCCN;KACHFZAWCYXLNJ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361856;MM361856;CCCCC(C)=C(C)C#N;OXJTWSPXGUSOLF-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361857;MM361857;CNC(C)C(C)CCCO;HBMZWPDEIMHDHS-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361858;MM361858;C=C1CC2C(O)C2C1;WLALCRNJUZHMEF-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361859;MM361859;CNC(C)C(C)CCCF;AKGBDSFMTZQDFX-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361860;MM361860;C=CC1CN1CC=O;YPYOGPUBOYSJHN-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361861;MM361861;CNC(C)C(O)CCCO;NVFIRKMMKWGFAH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361862;MM361862;CC(C=O)=C(C)CCCF;IXBTYAPMJVRJRB-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361863;MM361863;CCCCC(F)C(C)NC;OSHMDTLZZWTQHQ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361864;MM361864;CC(C#N)=C(C)CCCF;MGFPDDMXAGDZGR-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361865;MM361865;CNCCC(C)C(C)NC;BVWWTDCHTNQWLF-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361866;MM361866;CC(CCCF)=C(F)C=O;UWHFUTRDVAWBID-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361867;MM361867;CNCCC(F)C(C)NC;GZFGRIQJFFRJHG-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361868;MM361868;CCCCC(N)=C(C)C=O;IJFWXHIYCUAXMZ-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361869;MM361869;CNC(C)C(C)CCOC;ZGVSVJSYCNGIBA-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361870;MM361870;C=CC(C)=C(F)CCCN;XLGXDFHMSGHANH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361871;MM361871;CNC(C)C(O)CCOC;HORWWVSFEZMPAD-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361872;MM361872;C=CC(C)=C(F)CCCF;LUFWSDCSXYXOPU-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361873;MM361873;CNC(C)C(F)CCOC;FDBSKUDILKQNTD-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361874;MM361874;CC(C#N)=C(F)CCCO;YJANKWPTVOFFBH-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361875;MM361875;COC(C)C(C)CCCN;HKKXGCMTJYSTIC-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361876;MM361876;CC(C=O)=C(F)CCCF;MFKLAWAUANJYFU-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361877;MM361877;COC(C)C(N)CCCN;MGOITRRCHSCFQK-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361878;MM361878;O=CC(F)=C(F)CCCO;IOBYMUZJXAVATO-UHFFFAOYSA-N;150.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361879;MM361879;COC(C)C(N)CCCO;VITLVAVXCWPQBT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361880;MM361880;C=CC(C)=C(C)CCNC;OILWTBPEYDRPRK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361881;MM361881;COC(C)C(O)CCCO;ZURSTBKXYFZOKR-UHFFFAOYSA-N;148.2;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361882;MM361882;CNCCC(C)=C(C)C=O;SRLWVERORABZPB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361883;MM361883;CNCCC(N)C(C)OC;PPASIGVAIDCDRI-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361884;MM361884;CNCCC(C)=C(C)C#N;WEOVAKSELKYAFZ-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361885;MM361885;CNCCC(F)C(C)OC;OWKMRQHDRZORPE-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361886;MM361886;C=CC(F)=C(C)CCNC;QSXFFTYQNNAOTL-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361887;MM361887;CCNCC(C)C(C)CN;JYUJJXCGYJMUOI-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361888;MM361888;CNCCC(C)=C(F)C=O;OJGFZFPRDRMQFG-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361889;MM361889;CCNCC(C)C(C)CF;YMVKFXCBRLMYMK-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361890;MM361890;CNCCC(N)=C(F)C#N;OFHCKFJXTJZROU-UHFFFAOYSA-N;143.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361891;MM361891;CCNCC(C)C(N)CC;PRETYDQVJQJXOL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361892;MM361892;CNCCC(F)=C(C)C=O;QOHSLAGKVTVLLN-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361893;MM361893;CCNCC(C)C(N)CN;AIUXWHYBTGFRIN-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361894;MM361894;COCCC(C)=C(F)C#N;DBRSEYLHLAWTSA-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361895;MM361895;CCNCC(C)C(O)CO;IURNLPRSMDZQMX-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361896;MM361896;COCCC(F)=C(F)C=O;JUOHINYNNZZNDT-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361897;MM361897;CCNCC(C)C(F)CF;LJSWINBPDYHIPR-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361898;MM361898;C=CC(C)=C(C)CNCC;KYOQZUCVJCCRKS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361899;MM361899;CCNCC(N)C(C)CC;PJSVESKCCIJCRH-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361900;MM361900;CCNCC(C)=C(C)C#N;VHTHOVGQUJQQOL-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361901;MM361901;CCNCC(N)C(N)CO;CZGDUANKGZZVDK-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361902;MM361902;CCNCC(N)=C(F)C=O;XSJMUSPELSTMCU-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361903;MM361903;CCNCC(N)C(O)CN;XYXAWBLGVFPLRL-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361904;MM361904;C=CC(C)=C(C)COCC;JMFITIGUWSRBLU-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361905;MM361905;CCNCC(N)C(O)CO;YDJNZIUTCRWXNQ-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361906;MM361906;CCOCC(C)=C(C)C=O;DHJHEYLNKUDKDM-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361907;MM361907;CCNCC(N)C(F)CF;FZELHSYBRJLKOE-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361908;MM361908;CCOCC(N)=C(F)C#N;XUORBGWXGLMFPC-UHFFFAOYSA-N;144.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361909;MM361909;CCNCC(O)C(C)CO;HJQBKOADYHJXEQ-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361910;MM361910;CCOCC(F)=C(C)C#N;HKVQHXGABGJVJU-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361911;MM361911;CCNCC(O)C(O)CN;NLQXVCDYFZAQII-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361912;MM361912;CCCNC(C)=C(C)C=O;YEGWAVNSKPHLRQ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361913;MM361913;CCNCC(O)C(O)CO;JUACBGCIUKDCHH-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361914;MM361914;CC(NCCO)=C(F)C=O;BKTJZYXMOAOJLW-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361915;MM361915;CCNCC(F)C(C)CF;FKHSLDOWZPUOPW-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361916;MM361916;CC(NCCO)=C(F)C#N;KVNKCJQELRGWBQ-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361917;MM361917;CCNCC(F)C(N)CF;XFBXJZBIBUDXMY-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361918;MM361918;CCCNC(N)=C(C)C=O;FJSHFVSXBXBZQF-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361919;MM361919;CCNCC(F)C(F)CN;HWYRBDQEYSGMDB-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361920;MM361920;CCCNC(N)=C(C)C#N;IHHKHHYSEALCMF-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361921;MM361921;CCNCC(F)C(F)CF;IFDSUZSTUMQEHN-UHFFFAOYSA-N;155.16;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361922;MM361922;CC(O)CCC(C)(C)C;NMSUCVXVCHZTEH-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361923;MM361923;CCNCC(C)C(C)NC;GIZHEFINEGECTO-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361924;MM361924;NC(NCCO)=C(F)C=O;VPKVKESHJKZOEL-UHFFFAOYSA-N;148.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361925;MM361925;CCOCC(C)C(C)CC;KBPWVSUKBPWYRD-UHFFFAOYSA-N;144.26;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361926;MM361926;NC(NCCF)=C(F)C=O;DUMMCHKCNPJYNT-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361927;MM361927;CCOCC(N)C(C)CC;WGPIPZIEZCECEA-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361928;MM361928;CC(CO)C1CC1(C)C;GYMUURIYOIKXHG-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361929;MM361929;CCOCC(N)C(C)CO;OHCIFKNROMCRAT-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361930;MM361930;C=CC(C)=C(C)OCCC;URPJUECWTFKBJF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361931;MM361931;CCOCC(N)C(N)CC;OGRSJIOAGXWVMM-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361932;MM361932;C=CC(C)=C(C)OCCO;BVECTOFGQOJOEB-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361933;MM361933;CCOCC(N)C(F)CC;FNYWYTKJDGZGIB-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361934;MM361934;CCCOC(C)=C(C)C=O;ADPADDVRCRFUCR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361935;MM361935;CCOCC(O)C(N)CN;JFOKKRRNPQKMHZ-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361936;MM361936;CCCOC(C)=C(C)C#N;MCOYNMGBRDVEKE-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361937;MM361937;CCOCC(O)C(N)CO;ITOIIJBBIMJUJX-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361938;MM361938;CC(C#N)=C(C)OCCO;ZBYJKZYAJTXHRJ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361939;MM361939;CCOCC(O)C(O)CN;SNQYZZQVEVGLFV-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361940;MM361940;CC(OCCO)=C(F)C=O;WFTFOMMCHSUUCC-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361941;MM361941;CCOCC(O)C(O)CO;HEDAFBMNBJYNQM-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361942;MM361942;CCCOC(N)=C(C)C=O;YBLZPNCKPMWDBB-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361943;MM361943;CCOCC(F)C(C)CN;DTEUVNXPUNNUBD-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361944;MM361944;CC1(C)CCC(CO)C1;LSZXVUJJTONWHR-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361945;MM361945;CCOCC(F)C(N)CC;HYVURTHBNNEQEH-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361946;MM361946;CCCOC(N)=C(F)C#N;JRRLQFDVAPKQCE-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361947;MM361947;CCCNC(C)C(C)CC;XIGAQVHJQKWWCO-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361948;MM361948;N#CC(F)=C(N)OCCF;VVCJPJVFBWJBHZ-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361949;MM361949;CCC(C)C(C)NCCN;YKSKBGCVSBFRJB-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361950;MM361950;COCOC(C)=C(C)C=O;WBCFRMKBPUIQKT-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361951;MM361951;CCC(C)C(C)NCCF;OSQYIOQLPQXODM-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361952;MM361952;COCOC(C)=C(C)C#N;FSYKSJPUMICGFT-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361953;MM361953;CC(CN)C(C)NCCF;HBYFNGYOWRZRKH-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361954;MM361954;COCOC(C)=C(F)C=O;SQXHDVMNLNXUHP-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361955;MM361955;CC(CF)C(C)NCCF;ZKVGIESVZJKWRV-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361956;MM361956;COCOC(N)=C(C)C=O;IEJSLQQBSCZPTM-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361957;MM361957;CCC(N)C(C)NCCN;NGFSCPSUGCKTRT-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361958;MM361958;C=CCCC(C)=C(C)C=C;ABMXBTRMJLEIAU-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361959;MM361959;CCCNC(C)C(N)CN;ZXJWQUIQRBBUAE-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361960;MM361960;C=CCCC(C)=C(C)C#N;SXSBPZNKIZNRSF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361961;MM361961;CCCNC(C)C(N)CO;YAYRLAWAIXUSTO-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361962;MM361962;CC(C#N)=C(C)CCC=O;XRCBIEWFVDLVKC-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361963;MM361963;CC(NCCN)C(N)CO;WUHRFTXXPMAZFG-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361964;MM361964;CCCNC(C)C(N)CF;NAAYTXHAEXZQNX-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361965;MM361965;C=CCCC(F)=C(C)C=O;WXSMDQBMWPNXDV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361966;MM361966;CC(NCCF)C(N)CF;DRNBGNLJTBSESC-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361967;MM361967;CC(C#N)=C(F)CCC=O;BZRAJOMNCMBFSB-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361968;MM361968;CCCNC(C)C(O)CC;POQIOGSZYQPNLC-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361969;MM361969;N#CCCC(F)=C(F)C=O;NCHPZMOUPVWOPQ-UHFFFAOYSA-N;145.11;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361970;MM361970;CCC(O)C(C)NCCN;FNRCLMYJSBXYSL-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361971;MM361971;N#CCCC(F)=C(F)C#N;MCRSAVHKOBADGE-UHFFFAOYSA-N;142.11;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361972;MM361972;CCC(O)C(C)NCCF;CWETXNOBEZRHEL-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361973;MM361973;CC(O)CCC1(C)CC1;RPBFDKJHJXWOCC-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361974;MM361974;CCCNC(C)C(O)CN;ZYXBEZKRTOIXCC-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361975;MM361975;CC(C=O)=C(C)CN=CN;CTXPXRJHKABUEU-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361976;MM361976;CCCNC(C)C(O)CO;LSMLAMMYQCOVHX-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361977;MM361977;CC(CNC=N)=C(F)C#N;XHMBPBKQTUDGRT-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361978;MM361978;CCCNC(C)C(F)CC;JCAGDJIZOQQIQX-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361979;MM361979;CC(CNC=O)=C(F)C#N;JFCFCKYBPJUHFS-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361980;MM361980;CC(NCCF)C(F)CN;ONACXZFNNDGVKQ-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361981;MM361981;CC(C#N)=C(N)CNC=N;USVJDHHQYDKOIE-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361982;MM361982;CCCNC(C)C(F)CO;UMPFVQGHPPGCIN-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361983;MM361983;CC(C=O)=C(N)CNC=O;RWYSPEWMWQYGMN-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361984;MM361984;CC(NCCN)C(F)CF;YEZJTWODECJITC-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361985;MM361985;C#CC(=CC)CC(C)O;CXUCGMVEEQUXHU-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361986;MM361986;CCC(C)C(C)OCCN;MZKICDNYUYPFKV-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361987;MM361987;NC(CNC=O)=C(F)C=O;YDKJEEOACDLJIS-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361988;MM361988;CCC(C)C(C)OCCO;IZTPGMLZKROKQR-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361989;MM361989;N#CC(F)=C(F)CNC=O;BPHAOVLNYHIWNF-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361990;MM361990;CCCOC(C)C(C)CN;NUVNTEMPNOMVTO-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361991;MM361991;CCC#CCCC(C)O;JWUVYUZMYKTDCS-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361992;MM361992;CC(CO)C(C)OCCN;OAMOQUVXZRWUGV-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361993;MM361993;CC#CC(C)C(C)CO;FRQJZIBXTKIGQA-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361994;MM361994;CC(CF)C(C)OCCN;KEMQXBPLBUINJF-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361995;MM361995;C=COCC(N)=C(C)C#N;CROAHMZBQRJMCV-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361996;MM361996;CCC(N)C(C)OCCN;BKNNWWHYZOGKNJ-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361997;MM361997;C=COCC(N)=C(F)C#N;LWKWWIYWCJDUBM-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361998;MM361998;CCCOC(C)C(N)CN;IJUHZEUJHZWXBN-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM361999;MM361999;N#CC(F)=C(F)COC=O;GMUTXUWSCFKTHO-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362000;MM362000;CCCOC(C)C(F)CN;SCRXHBHBBNUBNX-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362001;MM362001;C=NOCC(C)=C(C)C=O;APSCQPIRWLZDNU-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362002;MM362002;CCC(N)C(C)OCOC;SOKRXBKNMZCCCF-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362003;MM362003;C=NOCC(F)=C(F)C#N;YHLFTQQOAXVYHQ-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362004;MM362004;COCOC(C)C(O)CN;LJPOJLOOAPLKPQ-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362005;MM362005;C=CCNC(C)=C(C)C#N;ZIDCREQLGFFSIM-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362006;MM362006;CNC(C)C(C)OCCN;DUIVTWCUVLGCIU-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362007;MM362007;C=CCNC(C)=C(F)C=O;SQUKOMOWTFCJLN-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362008;MM362008;COC(C)C(C)OCCO;KHJFJMZFXIRZRH-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362009;MM362009;CC(C=O)=C(N)NCC#N;ACCOXLRJIFOGBP-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362010;MM362010;COCOC(C)C(C)OC;UZPUHZOEAXUKEF-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362011;MM362011;CC(C#N)=C(N)NCC#N;APSZBMYPONOBBH-UHFFFAOYSA-N;136.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362012;MM362012;CCN(C)C(C)CCCO;HJDLYCOBEDHWKD-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362013;MM362013;CC(C=O)=C(C)NNC=O;HREWTUSITLQVGP-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362014;MM362014;CCN(C)C(C)CCCF;UYWWBDYVAHJGHG-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362015;MM362015;CC(C#N)=C(C)NNC=O;DLMJLDGBIUCYMY-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362016;MM362016;CCN(C)C(C)CCNC;JQYPSXHBFAGWGF-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362017;MM362017;N#CC(F)=C(N)NNC=N;DSPRJRFYXJDDEU-UHFFFAOYSA-N;143.13;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362018;MM362018;CCOCC(C)N(C)CC;PCVVRVCNGBPDDD-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362019;MM362019;N#CC(F)=C(N)NNC=O;KHKWCBRRWKAPDY-UHFFFAOYSA-N;144.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362020;MM362020;CCC(C)N(C)CCCF;OTMASKSAMNRHOM-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362021;MM362021;C=CCOC(C)=C(C)C=C;WDOHSDRMRJJNBP-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362022;MM362022;CCCCN(C)C(C)CN;YZROPNNOMPNDGF-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362023;MM362023;C=CC(C)=C(C)OCC=O;KZJCUOXBDXPOIS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362024;MM362024;CC(CO)N(C)CCCO;AHKOCYBESUAKBR-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362025;MM362025;C=CC(C)=C(C)OCC#N;XZVDRVQKIMXMMO-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362026;MM362026;CC(CF)N(C)CCCN;IXDIKJQKJUJQNJ-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362027;MM362027;C=CCOC(C)=C(C)C=O;YXMSEZLAWOKFCE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362028;MM362028;CCC(C)C(C)CCC=O;BHGPIAGMXTUGTL-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362029;MM362029;CC(C=O)=C(C)OCC=O;JHQKLNKTNXSBTR-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362030;MM362030;CCC(C)C(C)CCC#N;XNEZAIIQGLIPJX-UHFFFAOYSA-N;139.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362031;MM362031;CC(C#N)=C(C)OCC=O;RRCRINFHQYDPBQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362032;MM362032;C=CCCC(C)C(C)CN;MJLROHKALIQSPS-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362033;MM362033;C=CC(F)=C(C)OCC#N;ZMVUASFHCKEHFR-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362034;MM362034;CC(CF)C(C)CCC=O;VOQLVSZUIREIEM-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362035;MM362035;CC(OCC=O)=C(F)C=O;HBTZSCKIOSRKPO-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362036;MM362036;C=CCCC(C)C(N)CO;NNJSLEZUZXUMMR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362037;MM362037;CC(OCC=O)=C(F)C#N;OQKKRKCPZUBGPK-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362038;MM362038;C=CCCC(C)C(N)CF;QQQZIEZSCNWTEX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362039;MM362039;CC(OCC#N)=C(F)C#N;CMVDDKKESWRSCU-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362040;MM362040;COC1=NC(C=O)CN1;WORWPCSIVFEQHK-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362041;MM362041;Cc1[nH]c(N)c(C)c1F;HEPFBBZVZULYGS-UHFFFAOYSA-N;128.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362042;MM362042;CC(CO)CCC1CC1;NXUOVBUBFUECIO-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362043;MM362043;C=CCOC(N)=C(F)C#N;YRWBLNWZOGJVCO-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362044;MM362044;C=CCCC(C)C(O)CN;ULRQKDLWYILQPS-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362045;MM362045;C#CCCC(C)=C(C)C=C;SFBVLMGGDVOPSI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362046;MM362046;C=CCCC(C)C(O)CO;UAODWIAAWCTNGG-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362047;MM362047;C#CCCC(C)=C(C)C#N;XYYCLBDJVFQNHA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362048;MM362048;CC(CCC#N)C(O)CO;STCVXUAXTLACBO-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362049;MM362049;C#CCCC(N)=C(C)C#N;BAOGVXYTSRXPAW-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362050;MM362050;C=CCCC(C)C(F)CN;MRBGBFVFKIXMAD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362051;MM362051;C#CCCC(F)=C(C)C=O;XGFCGHISWDJQBH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362052;MM362052;CC(CCC=O)C(F)CO;PSGRESGESLMVJT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362053;MM362053;C#CCCC(F)=C(C)C#N;SGPOTYKWRVFKDJ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362054;MM362054;CC(CCC#N)C(F)CO;CUMJGVWPYMAROE-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362055;MM362055;C#CCNC(N)=C(F)C=O;KTRYCXPOHQIVNM-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362056;MM362056;C=CCCC(N)C(C)CC;JTWQYTWCTMFLNB-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362057;MM362057;C#CCOC(C)=C(C)C=C;DJTNEDCECFJVAA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362058;MM362058;C=CCCC(N)C(C)CO;UQONWPNDXFKETI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362059;MM362059;C#CCOC(C)=C(C)C#N;WVKRANLBRNDJPU-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362060;MM362060;C=CCCC(N)C(C)CF;CIVAHQHRCAYJIH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362061;MM362061;C#CCOC(N)=C(C)C#N;OBGYTGYRAGXZSH-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362062;MM362062;C=CCCC(N)C(N)CC;KCKDJRXRSZAFCB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362063;MM362063;C=CCCC(N)C(N)CO;BCEJXENLTLASJO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362064;MM362064;CC1CC(CO)CC1C;ARRKORXAFAJKAT-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362065;MM362065;C=CCCC(N)C(N)CF;WUVPQSSHLVVYRU-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362066;MM362066;C#CC(C)=C(C)CCNC;UDWLFOGXNBRJLJ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362067;MM362067;C=CCCC(N)C(O)CC;YVVZGIGNHVTZQE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362068;MM362068;C#CC(C)=C(F)CCNC;DCGCWPUPFSWREB-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362069;MM362069;C=CCCC(N)C(O)CN;AHRVJPKQPWIYBO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362070;MM362070;C#CC(C)=C(C)COCC;WTJHKQPAKTXYSR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362071;MM362071;C=CCCC(N)C(F)CC;UBDSUZOMVXTHSL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362072;MM362072;C#CC(C)=C(F)COCC;IMHSNJLQXHZJSC-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362073;MM362073;CCC(C)C(O)CCC#N;LZQWUGKADDRBPT-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362074;MM362074;C#CC(C)=C(C)OCOC;RMJLMFWGPQTVSM-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362075;MM362075;C=CCCC(O)C(C)CN;HARYCFMHPFUCBW-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362076;MM362076;C#CC(C)=C(C)CCC=C;ONASTMXYNCORFP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362077;MM362077;N#CCCC(O)C(O)CO;QWEAKHSNGQKSCB-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362078;MM362078;C#CC(C)=C(C)CCC=O;FVLSKQZKPLJKFV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362079;MM362079;C=CCCC(O)C(O)CF;ROUOQSKFDJTZKT-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362080;MM362080;C#CC(C)=C(C)CCC#N;UNGNPVJMDARXKN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362081;MM362081;N#CCCC(O)C(O)CF;OLSUTHLQHSZTRO-UHFFFAOYSA-N;147.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362082;MM362082;C#CC(F)=C(C)CCC#N;SDWDAGGHHUJBDQ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362083;MM362083;O=CCCC(O)C(F)CF;ASMZOSKZKFMTHK-UHFFFAOYSA-N;152.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362084;MM362084;C#CC(C)=C(F)CCC=O;QZHVRJBRNWJJOY-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362085;MM362085;C=CCCC(F)C(C)CN;FUWNFHGEKMYISC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362086;MM362086;C#CC(C)=C(C)CNC=N;QPHDZVSEIXRBTM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362087;MM362087;CC(CF)C(F)CCC=O;TXRBKKQSQZQDLV-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362088;MM362088;C=C1CC(CO)C=C1C;CXXKOJLJWLIXJA-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362089;MM362089;C=CCCC(F)C(N)CC;MKJDGVAWHHMFFC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362090;MM362090;C#CC(F)=C(C)CNC=N;KNZXLNGTIMTCGU-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362091;MM362091;C=CCCC(F)C(O)CO;HUPPZVALUAPVDT-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362092;MM362092;C#CC(F)=C(C)CNC=O;HJQDLJFDCXEVEH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362093;MM362093;N#CCCC(F)C(O)CF;AUBHRVZRNXLRTP-UHFFFAOYSA-N;149.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362094;MM362094;C#CC(F)=C(F)COC=O;WZYNQCSBEMUKTB-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362095;MM362095;CNC(C)C(C)CCC=O;PNOJFBWIPIRYJO-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362096;MM362096;C#CC(C)=C(C)OCC=C;VHSXUOLRMJEJPU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362097;MM362097;C=CCCC(N)C(C)NC;AVWRTNBVAVOZSP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362098;MM362098;C#CC(F)=C(C)OCC#N;JQDHNJSICBHWJP-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362099;MM362099;CNC(C)C(O)CCC=O;GJCCAWOMMAGJMQ-UHFFFAOYSA-N;145.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362100;MM362100;C#CCCC(C)=C(C)C#C;XWCYMQUPCAWGEF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362101;MM362101;C=CCCC(F)C(C)NC;YGHFNSCSMNPOLH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362102;MM362102;C#CCCC(F)=C(C)C#C;OPMGFYIFEGLPMT-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362103;MM362103;CNC(C)C(F)CCC=O;GJQIEJXEBXBZLH-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362104;MM362104;C#CCOC(C)=C(C)C#C;DQOUHGLDZNIOST-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362105;MM362105;C=CCCC(N)C(C)OC;VGFVZCIWPUQTET-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362106;MM362106;CC=CCC(C)=C(C)CC;HATBMKOHTLOVPQ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362107;MM362107;CCC(C)C(C)CNC=N;NVOGWZLEBYIDMU-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362108;MM362108;CC=CCC(F)=C(C)CN;TXMHZPYIJZNZOU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362109;MM362109;CC(CN)C(C)CNC=O;NEJIZAZZCDRTPR-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362110;MM362110;CCC(C)=C(C)CC=NN;MYWQTRISAZPJHF-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362111;MM362111;CC(CF)C(C)CNC=N;PCSFFLVHZQOPNO-UHFFFAOYSA-N;146.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362112;MM362112;CCC(C)=C(F)CC=NN;KXTGVCXIURKMDZ-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362113;MM362113;CC(CO)CCC1CO1;YNMGFWVFTWXJSZ-UHFFFAOYSA-N;130.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362114;MM362114;CC(CF)=C(F)CC=NN;FBQIREMNFJKGDW-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362115;MM362115;CC(CNC=N)C(O)CO;JDPZTBPJAUSQSO-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362116;MM362116;CCC(F)=C(F)CC=NN;PIGPAQHRQVXZIT-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362117;MM362117;CC(CF)C(N)CNC=O;QHPYUVWTUMPRPJ-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362118;MM362118;OCC(F)=C(F)CC=NO;SMBFYMBPCCANTM-UHFFFAOYSA-N;151.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362119;MM362119;CCC(O)C(N)CNC=N;LJCSSHAUONXNGY-UHFFFAOYSA-N;145.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362120;MM362120;COC(C)=C(C)CC=NO;GPPPGNFANNJSBB-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362121;MM362121;CC(CO)C(O)CNC=O;PJQCDGWVOBECEB-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362122;MM362122;CCC(C)=C(C)N=CNC;RNEMCRQQPHAYIW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362123;MM362123;CCC(N)C(O)CNC=O;NKSJZNGTGSKNLQ-UHFFFAOYSA-N;146.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362124;MM362124;CCC(C)=C(C)N=CNN;CDEUYICMTZQDNH-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362125;MM362125;NCC(N)C(O)CNC=O;MOFPFCAMEUGLIA-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362126;MM362126;CN=CNC(C)=C(C)CO;GWAKTEZUWHPATM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362127;MM362127;N=CNCC(O)C(N)CO;NMJIFRJQVNECTG-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362128;MM362128;CN=CNC(C)=C(F)CN;DQCWHCPDWZFLSI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362129;MM362129;NC(CO)C(O)CNC=O;KJNCRTDWDLLKDP-UHFFFAOYSA-N;148.16;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362130;MM362130;CNC=NC(C)=C(C)OC;UZCILYFTLPCXOR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362131;MM362131;CCC(F)C(O)CNC=O;ADUWWQPKWGOJTM-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362132;MM362132;CC=COC(C)=C(C)CC;HLLMJCOQJKPGOX-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362133;MM362133;CC(CF)C(F)CNC=O;WZGVDXUNTLIPMH-UHFFFAOYSA-N;151.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362134;MM362134;CC=COC(C)=C(C)CO;HGXGAUNBCHPYIH-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362135;MM362135;CCC(N)C(F)CNC=N;CQNMPTDOBTVIDN-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362136;MM362136;C#CC1=CC(O)C(C)C1;IHJKFGDBAHCXJL-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362137;MM362137;C=NNCC(C)C(C)CC;AOXQWLDBQAXPQU-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362138;MM362138;COC(C)=C(C)OC=NO;SPIHATJTORZJJL-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362139;MM362139;C=NNCC(C)C(C)CN;LGKKMTZQAKDMPL-UHFFFAOYSA-N;143.23;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362140;MM362140;CC(C=O)=C(C)CC=CF;VVCOFCFJYJCATI-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362141;MM362141;C=NNCC(C)C(N)CC;NDSFLEQSZBIRLA-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362142;MM362142;CC=CCC(N)=C(C)C#N;FPCWZCZSZLZWTH-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362143;MM362143;C=NNCC(C)C(N)CO;CZCPTQLHRDEYLJ-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362144;MM362144;CC(C=O)=C(C)CC=NO;IOJZSWNLAINBTA-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362145;MM362145;C=NNCC(C)C(O)CN;OAGBWCUVWQTLPU-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362146;MM362146;C=CC(O)CCC1CC1;CBJJEEDFZAQHMN-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362147;MM362147;C=CC(C)=C(C)N=CNN;HVWXSWHFSZEFIY-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362148;MM362148;C=NNCC(N)C(C)CC;TUUGHKCWMYMWGP-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362149;MM362149;N=C1N=C(NN)OC1=O;HRARLKBZDIPVIL-UHFFFAOYSA-N;128.09;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362150;MM362150;N#CC(=O)CCN1CC1;CQJUPYDQFAVVQY-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362151;MM362151;CC=Cc1cc(N)no1;VPYBDOQDWZYKSS-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362152;MM362152;CCC(O)C=CC1CC1;JNQCKKMHJIJNSI-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362153;MM362153;CC=CC1CN1CC=O;OHUWVDMNAFGMIF-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362154;MM362154;CC(CO)CCC(C)(C)C;XBNGABCTADSMHF-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362155;MM362155;COC1=NNC(C#N)C1;JNMGNGIIODXWOC-UHFFFAOYSA-N;125.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362156;MM362156;CNC(C)C(C)CNC=N;WGYQOSNCHHBHCQ-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362157;MM362157;C=CC(C)=C(C)OC=CC;WSLAJSRNMIQJKM-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362158;MM362158;CNC(C)C(O)CNC=N;CSXNEMVJDCYFLY-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362159;MM362159;CC=COC(C)=C(C)C#N;HQMCTDIYNIDKLS-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362160;MM362160;CNC(C)C(O)CNC=O;BBZJEIJWMUVGDY-UHFFFAOYSA-N;146.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362161;MM362161;CC(C#N)=C(N)OC=CF;VDISMZXSZCAEHK-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362162;MM362162;C=NNCC(F)C(C)NC;ZTPVRLTZXSHCAO-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362163;MM362163;CC=COC(N)=C(F)C=O;LKORKEOJZBTTAA-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362164;MM362164;COC(C)C(C)CNC=N;SRGITJXYVJOZKX-UHFFFAOYSA-N;144.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362165;MM362165;CC=COC(N)=C(F)C#N;IDUVBGRKZYVBIY-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362166;MM362166;CC(CO)CCC(C)(C)O;ZQCHRLFUCIMOOM-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362167;MM362167;NC(OC=CF)=C(F)C=O;UHDBIFPYJZRMEI-UHFFFAOYSA-N;149.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362168;MM362168;C=COCC(C)C(C)CC;ZZXOFJKZQVIBPF-UHFFFAOYSA-N;142.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362169;MM362169;N#CC(F)=C(N)OC=CF;PVBZGAWRMSWJIG-UHFFFAOYSA-N;146.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362170;MM362170;CCC(C)C(C)COC=O;HWCDZTLOYLMXPR-UHFFFAOYSA-N;144.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362171;MM362171;CC(C#N)=C(C)OC=NO;CWTDPUDQQSOYDC-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362172;MM362172;CC(CF)C(C)COC=O;AVBZCKYFFXCYQP-UHFFFAOYSA-N;148.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362173;MM362173;NC(OC=NO)=C(F)C=O;ZSKQPZOAMQZGJI-UHFFFAOYSA-N;148.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362174;MM362174;C=COCC(C)C(N)CC;VERDXTCFAICOOZ-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362175;MM362175;C#CC(C)=C(C)CC=CF;UVGKXBGEQGHHAM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362176;MM362176;CCC(N)C(C)COC=O;GZJKTCXLPBIAHZ-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362177;MM362177;C#CC(C)=C(C)N=CNN;ORLMVYCPFWZAGI-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362178;MM362178;C=COCC(C)C(N)CN;IZSJOUYUTYDEDO-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362179;MM362179;C#CC(C)=C(C)OC=CC;RVZFITMGMZRGNL-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362180;MM362180;CCC(O)C(C)COC=O;DDHFZZGJGSLWEU-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362181;MM362181;C#Cc1ncc(NC)o1;IKCZXKFRMZOTID-UHFFFAOYSA-N;122.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362182;MM362182;CCC(F)C(C)COC=O;LFGPSGDZDXLQJS-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362183;MM362183;C#CC(F)=C(C)OC=NO;CGRCXWJJTMLEPO-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362184;MM362184;CC(COC=O)C(F)CN;BQWHDRYWYVTLNX-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362185;MM362185;CC#CCC(C)=C(C)CC;SSZZYUQAVPMWQK-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362186;MM362186;CC(COC=O)C(F)CF;QGMPEBFIROSPLW-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362187;MM362187;CC#CCC(C)=C(C)CN;KDWOUSYQVJNHCC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362188;MM362188;CCC(C)C(N)COC=O;HLTKHQKNIKMGQY-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362189;MM362189;CC#CCC(F)=C(C)CN;NEROOEDPRLJRGN-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362190;MM362190;CC(CN)C(N)COC=O;QASWSAGMUJHVQG-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362191;MM362191;CCC=CC(C)=C(C)CC;HINMZLHRFCKXMD-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362192;MM362192;C=COCC(N)C(C)CO;CODYOJPWOVAXDR-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362193;MM362193;CCC(C)=C(C)C=CCN;FCWLSINKAQGZLU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362194;MM362194;C=COCC(N)C(O)CC;OVTCLSLLJPXTJN-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362195;MM362195;CCC(C)=C(C)C=CCO;FSFVCRULQLQLSH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362196;MM362196;C=COCC(O)C(C)CO;DHODLFNXKAGBNV-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362197;MM362197;CC(C=CCO)=C(C)CN;XGYOGXIUJUPHHO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362198;MM362198;C=COCC(O)C(N)CC;WWLLAOQDMYZBGV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362199;MM362199;CCC12C=CC(O)C1C2;QRSOMBWYAACJQJ-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362200;MM362200;C=COCC(O)C(N)CO;NLEWPUQWLULULJ-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362201;MM362201;CCC(F)=C(C)C=CCN;WKKIEHYONZFJAY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362202;MM362202;C=COCC(O)C(O)CO;LJFKEIAGMQINJL-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362203;MM362203;CC(C=CCN)=C(F)CN;XAJXGNIPQAHGIM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362204;MM362204;CCC(F)C(O)COC=O;SIRPHHXHLQEUSN-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362205;MM362205;CC(C=CCN)=C(F)CF;MSLUHUJDFFBOOZ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362206;MM362206;CCC(C)C(F)COC=O;KDGGDIUOPJARFL-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362207;MM362207;CCC=CC(F)=C(C)CC;JMGLGYGJOWONFO-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362208;MM362208;CCC(C)=C(F)C=CCN;UKBVFSPEQFCBJY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362209;MM362209;CC(CF)C(F)COC=O;BWEVFBOMXPVJDS-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362210;MM362210;CCC(C)=C(F)C=CCO;BHODFBSZNUAGPA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362211;MM362211;C=COCC(F)C(N)CC;PQLLGGPKIUPFBV-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362212;MM362212;CCC=CC(F)=C(C)CN;QMDUOFJPYZXWAH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362213;MM362213;CCC(F)C(F)COC=O;YIZFCZFRIHICFZ-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362214;MM362214;CC(CF)=C(F)C=CCN;DBTSPYMVHMFCOH-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362215;MM362215;C=NOCC(C)C(C)CC;ZJOSBBVGEPMEJM-UHFFFAOYSA-N;143.23;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362216;MM362216;NCC=CC(F)=C(F)CN;HDSDLNCNAPZHND-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362217;MM362217;C=NOCC(C)C(C)CN;UMILXZBDGICPCI-UHFFFAOYSA-N;144.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362218;MM362218;OCC(F)=C(F)C=CCF;UFOQRIOBRLCLDA-UHFFFAOYSA-N;152.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362219;MM362219;C=NOCC(C)C(N)CC;YKXUYVQTXNJJOP-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362220;MM362220;CCC(C)=C(F)C=COC;KFMJUIXCNVHJIS-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362221;MM362221;C=NOCC(C)C(N)CN;IUPLHQAIUFJJDT-UHFFFAOYSA-N;145.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362222;MM362222;COC=CC(F)=C(F)CO;HIZZIPUSQZHEFM-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362223;MM362223;CC(CO)CCC(F)(F)F;RKLGLYKACHHIND-UHFFFAOYSA-N;156.15;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362224;MM362224;CCC=CC(C)=C(C)OC;ORQYQYNBPFWJRH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362225;MM362225;C=NOCC(N)C(C)CC;JQYHAVKVRWKNSL-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362226;MM362226;COC(C)=C(C)C=CCF;ZJNLBYAMSDWJBT-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362227;MM362227;C=C(C#N)C=CC(C)(C)O;ZAZHQCKSNSGRGI-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362228;MM362228;COC=CC(F)=C(C)OC;IDUTXKWWNBIGFF-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362229;MM362229;C=NOCC(O)C(N)CN;MQFLKECFSJMJCF-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362230;MM362230;CCC(C)=C(C)C=NNC;PPISUQAWZSYJKH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362231;MM362231;C=NOCC(O)C(N)CO;MABWOZYVURYEDE-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362232;MM362232;CNN=CC(C)=C(C)CN;QOZFPVYAARRXRC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362233;MM362233;C=NOCC(O)C(O)CN;ZFHWFBXXJOAEGZ-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362234;MM362234;CC(CO)C1C(C)C1C;LGZUVLDWICWITR-UHFFFAOYSA-N;128.22;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362235;MM362235;CC(C)(CO)CC#CC#N;YHRGRVWJPWAOMD-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362236;MM362236;CCC(F)=C(C)C=NNC;UPLJIPWNKLJMBI-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362237;MM362237;CN1CC1(C)CC(=O)C=O;BZNJDOHXSAXBHN-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362238;MM362238;CNN=CC(F)=C(C)CF;SNVHLVYCIHQYFB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362239;MM362239;CC(O)CCCC(C)CO;OGXGGTVYUCWRNU-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362240;MM362240;CCC=CC1C(C)C1O;QHFBMKDWBOEJHR-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362241;MM362241;C=COCC(C)C(C)NC;RZXPSVYYSRAATO-UHFFFAOYSA-N;143.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362242;MM362242;CNC(=N)C(C)=CNOC;LPUPGVJGNOZWBQ-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362243;MM362243;CNC(C)C(O)COC=O;HZMKFAJVTAWLBW-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362244;MM362244;CNN=CC(F)=C(C)OC;WXRCHJYPIRHTHN-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362245;MM362245;CNC(C)C(F)COC=O;UALTWJHAEDSJDZ-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362246;MM362246;CON=CC(F)=C(C)OC;MTNRGZFHYNXDGI-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362247;MM362247;COC(C)C(O)COC=O;TUMSPQZMOQMNRL-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362248;MM362248;C=CC=CC(C)=C(C)CC;WFEJXVBFEIGPPD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362249;MM362249;C=NOCC(N)C(C)OC;TWIQEOKFFZJFPE-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362250;MM362250;CCC(C)=C(C)C=CC#N;MAZVUILXQOGGGL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362251;MM362251;C=NN=C(C)NC(=N)C#N;MSHPZLZIYVCKQF-UHFFFAOYSA-N;137.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362252;MM362252;CC=C1CC2C(O)C2C1;ANQCJGIYXUBPPN-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362253;MM362253;C=CCNC(C)C(C)CC;RMOFHVVHILINLS-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362254;MM362254;CC(C=CC=O)=C(C)CF;GXVNNWPEBNBYPB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362255;MM362255;CCC(C)C(C)NCC=O;AJYDQNOJLDPOCB-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362256;MM362256;CCC(F)=C(C)C=CC=O;DVMISUGVOGNSMY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362257;MM362257;CCC(C)C(C)NCC#N;WVUHNQNSNUVSHX-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362258;MM362258;CCC(C)=C(F)C=CC=O;WRUNLAOQKRTYQS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362259;MM362259;C=CCNC(C)C(C)CN;YAJROZDWQDVPSY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362260;MM362260;CC(CO)=C(F)C=CC#N;CPORAOAFYJUYMZ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362261;MM362261;C=CCNC(C)C(C)CO;LHPMPWDQHNTZNZ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362262;MM362262;N#CC=CC(F)=C(F)CO;NFHKWYSJVFAKAM-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362263;MM362263;C#CC(C#C)C(=C)C(C)O;GXAVQXGBOYGWKX-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362264;MM362264;COC(C)=C(F)C=CC=O;HVWQJKAXSNEORT-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362265;MM362265;C=CCNC(C)C(C)CF;BCDPPLBFVMAFBN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362266;MM362266;C=NN=CC(C)=C(C)CC;VSXKZXCUAHOBRT-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362267;MM362267;CC(CF)C(C)NCC=O;BFFJLPMOCFAZPR-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P5";;;;;;;0.85;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362268;MM362268;C=NN=CC(C)=C(C)CN;GVJXUESXUKERGT-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362269;MM362269;C=CCNC(C)C(N)CC;IVENWOXSIMHJHH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362270;MM362270;C=NN=CC(C)=C(N)CN;OYNGDMRSDDOZJS-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362271;MM362271;C=CCNC(C)C(N)CN;AVJOTVCSACFWBX-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362272;MM362272;C=NN=CC(C)=C(N)CF;IOPWDJLVENLKNY-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362273;MM362273;C=CCNC(C)C(O)CC;OSMDNUHOORRRBF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362274;MM362274;C=NN=CC(C)=C(F)CC;UOCKFFNLKNAEHT-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362275;MM362275;CC=CC#CC(C)C(C)O;BARWNKTZOIPFHL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362276;MM362276;C=NN=CC(C)=C(F)CF;UPTDYQYVJLTNAH-UHFFFAOYSA-N;146.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362277;MM362277;CNC(C)C(C)NCC#N;ZHXGOBXQDFFXBT-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362278;MM362278;C=NN=CC(F)=C(C)CC;CGBXDCKCOYRNGG-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362279;MM362279;CCC(O)CCC(C)CO;KQZLLXRPZSRICO-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362280;MM362280;C=NN=CC(F)=C(N)CC;OFEGGPZERFWFTJ-UHFFFAOYSA-N;143.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362281;MM362281;CCC(O)C(C)NNC=N;HBYLROZMLYQCGO-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362282;MM362282;C=NN=CC(F)=C(F)CO;SQLVMKUGGHHNAY-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362283;MM362283;CCC(F)CCC(C)CO;XTALLRMONOOVLH-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362284;MM362284;C=NN=CC(F)=C(C)OC;CTUJDBORKAQGNV-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362285;MM362285;CC(CO)CCC(F)CF;LIUVWMQZATVMMX-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362286;MM362286;OC1C2CC(=CF)CC12;GYHSVRYUBYWKMN-UHFFFAOYSA-N;128.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362287;MM362287;CC(NNC=O)C(F)CF;OTVJKXRKZNRHHB-UHFFFAOYSA-N;152.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362288;MM362288;C#CC=CC(C)=C(C)CC;XGHQRDAGBLEMSL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362289;MM362289;CNC(C)C(C)NNC=N;VINZVUUITSUAIE-UHFFFAOYSA-N;144.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362290;MM362290;C#CC=CC(C)=C(C)CN;NFAHHWCWMPGRNQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362291;MM362291;C=CCOC(C)C(C)CN;ZQWWQWDVTNVOSX-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362292;MM362292;C#CC(C)=CC(C)(O)C=C;SSLTVNLEOCWLHY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362293;MM362293;C=CCOC(C)C(N)CC;IJGDTAGUNRUAQW-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362294;MM362294;C#CC=CC(C)=C(C)CF;VAJSZPDNZJJUQO-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362295;MM362295;C=CCOC(C)C(N)CN;LBIJXDLHPWGYNI-UHFFFAOYSA-N;144.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362296;MM362296;C#CC=CC(C)=C(F)CC;KWGKBMOPIMURKT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362297;MM362297;C=CCOC(C)C(N)CO;LFBAMLXCZJTBOX-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362298;MM362298;C#CC=CC(F)=C(C)CC;LMUHLERGDDYUIS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362299;MM362299;C=CCOC(C)C(N)CF;FFTZFDPHAVBHCW-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362300;MM362300;C#CC=CC(F)=C(C)CO;YJAPZCDULZQIGX-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362301;MM362301;C=CCOC(C)C(O)CC;ZHCBLILZESQBSJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362302;MM362302;C=CC(C)=C(C)C=CCC;LIYWGVSDOGOOSJ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362303;MM362303;CCC(O)C(C)OCC#N;MMTVAAYGANAJNV-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362304;MM362304;CC(C=O)=C(C)C=CCO;NCSBLJVLEJYFFG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362305;MM362305;CC(OCC#N)C(O)CO;WVJVRTIRAZWRIY-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362306;MM362306;CCC(C)(C)CCC(C)O;IAKWKRMYXGMZKB-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362307;MM362307;CC(OCC=O)C(O)CF;FGMPSOYSVHPYBY-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362308;MM362308;C=CC(C)=C(F)C=CCF;WQRLYGYCGGRYCO-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362309;MM362309;CC(OCC#N)C(O)CF;LMCYYQDFXLKBHN-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362310;MM362310;CC(C=O)=C(F)C=CCO;FOFSPPIRIBCYQU-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362311;MM362311;CC(OCC=O)C(F)CF;NYYCRUASXYWVMG-UHFFFAOYSA-N;152.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362312;MM362312;COC=CC(N)=C(F)C#N;GPYGCLPYSJTGSU-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362313;MM362313;C=CCOC(C)C(C)NC;PSFHJTCGPFJRTH-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362314;MM362314;COC=CC(F)=C(F)C#N;MPMOKJDZYALHOK-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362315;MM362315;CC(CO)C(C)ONC=O;RLGNIJMQAVDDGR-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362316;MM362316;CNN=CC(C)=C(F)C#N;LEVQNEUYEOEGJU-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362317;MM362317;CCC(O)C(C)ONC=O;OPNHRUUBEQNNOV-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362318;MM362318;C=CC(N)=C(F)C=NNC;PWDATYRDCSITQR-UHFFFAOYSA-N;143.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362319;MM362319;CNC(C)C(C)ONC=N;MPLXMEIAPMZOMP-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362320;MM362320;CNC(C)C(C)ONC=O;TYLWQFAYWXIHQF-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362321;MM362321;CNN=CC(F)=C(F)C#N;FICQZIVXLPLIDD-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362322;MM362322;C=CCCN(C)C(C)CF;RKHIYYHFJZPTIX-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C4";;;;;;;2.2;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362323;MM362323;CON=CC(C)=C(C)C=O;KOQJKQRUWDGWNG-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362324;MM362324;C#CCCC(C)C(C)CN;JDKAUGIZXZCYSR-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362325;MM362325;CON=CC(F)=C(F)C=O;PSMTVIGYXXFMEU-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362326;MM362326;C#CCCC(C)C(N)CC;PGQOSWKXBSGWRW-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362327;MM362327;CON=CC(F)=C(F)C#N;FJVNBHHSCVNAQK-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362328;MM362328;C#CCCC(C)C(N)CF;VLOOCVLCLNJOAI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362329;MM362329;C=CC=CC(C)=C(C)C=O;SYFYHIOSUPGIMD-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362330;MM362330;COC(C)CCC(C)CO;VFCFMJKSCYYCKC-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362331;MM362331;CC(C=O)=C(C)C=CC#N;VGIZDVGKOFSDCE-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362332;MM362332;C#CCCC(C)C(O)CO;ZZTPKSJZSSQDSU-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362333;MM362333;CC(C#N)=C(C)C=CC#N;JSCSBKLIWHDLKO-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362334;MM362334;C#CCCC(N)C(C)CC;WCFDSABULARVJN-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362335;MM362335;C=CC(F)=C(C)C=CC#N;UTQIJJODHYKACV-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362336;MM362336;C#CCCC(N)C(C)CN;SLPJYMHFUASNGS-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362337;MM362337;CC(C=CC#N)=C(F)C=O;NRXQBVOSXQLVBH-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362338;MM362338;C#CCCC(N)C(C)CF;MFAUZHAOOWGBEX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362339;MM362339;C=CC(C)=C(F)C=CC=O;VOVZHPAWWYVQOY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362340;MM362340;CC(C=O)CCC(C)CO;DLTMVLQFONUGBX-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362341;MM362341;C=CC=CC(F)=C(C)C=O;VOXKPMLGQXZBKA-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362342;MM362342;C#CCCC(O)C(N)CF;ODTCCICDJZOXLK-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362343;MM362343;C=CC=CC(F)=C(C)C#N;QMNFDNODPMZTLA-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362344;MM362344;C#CCCC(O)C(O)CC;FFFOSXXKTTWZNV-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362345;MM362345;CC(C=O)=C(F)C=CC=O;BBFPEGOWTCCIRH-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362346;MM362346;C#CCCC(O)C(F)CN;DVMUQXWUKRTXHU-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362347;MM362347;CC(C#N)=C(F)C=CC=O;NHIUTTMWDDFUIY-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362348;MM362348;C#CCCC(F)C(C)CN;PGDYYCYFEYMVKJ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362349;MM362349;CC(C#N)=C(F)C=CC#N;OUPXTEHVZHJFHA-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362350;MM362350;C#CCCC(F)C(N)CN;IHQBDJDNESGARS-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362351;MM362351;C=NN=CC(C)=C(C)C=O;NZQWEDYXCYZTBN-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362352;MM362352;C#CCCC(C)C(C)NC;KQKYKELIYZUCIZ-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362353;MM362353;C=NN=CC(C)=C(C)C#N;PEFUNCPQJLVJGK-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362354;MM362354;C#CCCC(F)C(C)NC;UAWLEABUXLIPAT-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362355;MM362355;C=CC(N)=C(F)C=NN=C;WLWVBZXGKJTTRH-UHFFFAOYSA-N;141.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362356;MM362356;C#CCCC(N)C(C)OC;OIEPRUYLSVVILH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362357;MM362357;C#CC=CC(F)=C(C)C=C;XVESGXNJRCSMBY-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362358;MM362358;C#CCCC(O)C(C)OC;WOJHPSKUJLCRAH-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362359;MM362359;C#CC=CC(F)=C(C)C#N;LCQBPPHGQVVORD-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362360;MM362360;C#CCNC(C)C(C)CF;IWLUGDXVVWVBJN-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362361;MM362361;C#CC=CC(F)=C(F)C#N;SGZAGMVERUBSRI-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362362;MM362362;C#CCNC(C)C(N)CC;UKPMZWNLMVVLNJ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362363;MM362363;C#CC(C)=C(C)C=CCC;ITQLBGXRFVBZIE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362364;MM362364;C#CCNC(C)C(N)CN;SUJMRUARCSWNBS-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362365;MM362365;C#CC(F)=C(F)C=CCN;GDUAKMIDRUJIBR-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362366;MM362366;C#CCNC(C)C(N)CF;LXFFLCIGKWKUSI-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362367;MM362367;C#CC(F)=C(F)C=NNC;NKXVFVJGQWZPTL-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362368;MM362368;C#CCNC(C)C(O)CC;VOKZNKAMFAGFQD-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362369;MM362369;C#CC(F)=C(C)C=NOC;ZCNOTLGZCWPKNL-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362370;MM362370;C#CCNC(C)C(C)OC;CPAGGGSSDWQDPM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362371;MM362371;C#CC(F)=C(F)C=NOC;XXGWWSWCFOUPNW-UHFFFAOYSA-N;145.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362372;MM362372;C#CCOC(C)C(C)CC;OVNUABZBIFZBFR-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362373;MM362373;C#CC(C)=C(C)C=CC#N;XXIPELZIKNGLIR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362374;MM362374;C#CCOC(C)C(C)CN;APKXSOATJQKJRI-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362375;MM362375;C#CC(F)=C(C)C=CC#N;AMSLERQLQPBAGC-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362376;MM362376;C#CCOC(C)C(C)CF;DUMXQHIKVYYQIO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362377;MM362377;C#CC(C)=C(F)C=CC=C;JJYCYFUJEDVKPK-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362378;MM362378;C#CCOC(C)C(N)CC;OZZLXXYAMFWZHA-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362379;MM362379;C#CC(C)=C(F)C=CC=O;BOXMEVDFOBSYSQ-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362380;MM362380;C#CCOC(C)C(N)CN;OXONHRVABULJNJ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362381;MM362381;C#CC(F)=C(F)C=CC#N;YYTWZIDIDXGWKR-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362382;MM362382;C#CCOC(C)C(F)CC;KJARNNKRKUZKAM-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362383;MM362383;C#CC(F)=C(C)C=NN=C;AFXCBKIHOXHUFJ-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362384;MM362384;C#CCOC(C)C(C)NC;HNNARABTRWTKIN-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362385;MM362385;CC(O)CCC(C)(C)CO;LNUMFJGWIUVKNE-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362386;MM362386;C#CCCN(C)C(C)CC;RFYKIJNCGPYMSP-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362387;MM362387;C#CC=CC(F)=C(C)C#C;JNALKMNVNOGACN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362388;MM362388;C=CC(C)C(C)CCCC;YTSRERQJKSQJPH-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362389;MM362389;CCC#CC(C)=C(C)CC;TUAVAOMSWHUJIT-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362390;MM362390;C=CC(C)C(C)CCCN;SAULUANDGRFHNC-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362391;MM362391;CCC(C)=C(C)C#CCN;NXROUYSPLDXASH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362392;MM362392;C=CC(C)C(C)CCCO;SOMKLWZOYXBPKW-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362393;MM362393;CCC#CC(C)=C(C)CN;ZIZDFPWCOOAFIP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362394;MM362394;CC(C=O)C(C)CCCO;XNIBXPMXNWRNMB-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362395;MM362395;CC(C=O)C(C)CCCF;HFIYMXDHCXSJCX-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362396;MM362396;C=CC(N)C(C)CCCF;VXPBMOYWPIFFCD-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362397;MM362397;CC(C#N)CCC(C)CO;BIDRATUCPNUMFM-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362398;MM362398;CC(CCCO)C(F)C=O;WFVDJIAILVAGEE-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362399;MM362399;CC(CCCO)C(F)C#N;QNMHPMNYILWSBS-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362400;MM362400;C=CC(C)C(N)CCCC;HDRZYPYSJFHFMJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362401;MM362401;C=CC(C)C(N)CCCF;VNSPTUOWUCPATJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362402;MM362402;C=CC(N)C(N)CCCC;YWQPFTNHXUWJCB-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362403;MM362403;C=CC(O)C(N)CCCC;ALSGLWLTFKVGHU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362404;MM362404;C=CC(O)C(N)CCCN;IXHXVBKGBSEJSV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362405;MM362405;C=CC(F)C(N)CCCF;PZDPLEIEXSMTIU-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362406;MM362406;C=CC(C)C(O)CCCO;MZQNZKDKUOBEQO-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362407;MM362407;CC(C#N)C(O)CCCO;PCNODTRKNPXYMO-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362408;MM362408;N#CC(O)C(O)CCCO;LECHQSOODCRZRT-UHFFFAOYSA-N;145.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362409;MM362409;C=CC(C)C(F)CCCN;CBNWLEQWBLCUQF-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362410;MM362410;C=CC(C)C(F)CCCF;DZNXGYDUGSEMQG-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362411;MM362411;CC(C=O)C(F)CCCF;OAHXJMOCEXNBIP-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362412;MM362412;C=CC(N)C(F)CCCF;RDZKFDSFBGYWFP-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362413;MM362413;C=CC(O)C(F)CCCC;PEJMFOKAFWNXDA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362414;MM362414;C=CC(C)C(C)CCNC;HOXKHNNCRSTNKF-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362415;MM362415;CNCCC(C)C(C)C=O;KUYMBTSYRABYLQ-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362416;MM362416;CNCCC(C)C(O)C=O;ZGTWTGJXCMNVLU-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362417;MM362417;CNCCC(C)C(F)C=O;MSDXNUSCSXAPTL-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362418;MM362418;CNCCC(C)C(F)C#N;LOCQVXDQFLHOMH-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362419;MM362419;C=CC(O)C(N)CCNC;YHFBXRHTXHIEBO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362420;MM362420;CNCCC(O)C(C)C#N;VCGIBPBAEWQKIG-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362421;MM362421;CNCCC(O)C(O)C#N;UATLIMDYKFWSDW-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362422;MM362422;C=CC(F)C(O)CCNC;CHWBNNBVZRKFGV-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362423;MM362423;C=CC(C)C(F)CCNC;YDYDHTRHKBGWBH-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362424;MM362424;C=CC(N)C(F)CCNC;KYKOSEWFBVIMKX-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362425;MM362425;C=CC(O)C(C)CCOC;DIIKLGWBTBNTND-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362426;MM362426;C=CC(C)C(N)CCOC;JIDYVYAVGJKMCE-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362427;MM362427;COCCC(O)C(C)C=O;SMVGRWSZWMKVFJ-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362428;MM362428;C=CC(O)C(O)CCOC;JFBFKFDQVNAIAF-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362429;MM362429;COCCC(O)C(O)C#N;JCPAYYRTPSQDTD-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362430;MM362430;COCCC(O)C(F)C=O;DKZRXQYBFAJHGJ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362431;MM362431;COCCC(F)C(C)C=O;OLKAONYCBHBZTC-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362432;MM362432;COCCC(F)C(C)C#N;QEJQGGCKUOKSMV-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362433;MM362433;COCCC(F)C(O)C=O;VNJJXAFQFJMFKC-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362434;MM362434;COCCC(F)C(O)C#N;AVEVYVRAQVTFQO-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362435;MM362435;C=CC(C)C(C)CNCC;GDWLTUQHFPXNQA-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362436;MM362436;CCNCC(C)C(C)C=O;MIWKOGKRYCMFEQ-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362437;MM362437;CCNCC(C)C(O)C=O;UGOZFRMAVSDTFN-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362438;MM362438;CCNCC(C)C(F)C=O;WFEYKCKZSGAZOG-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362439;MM362439;CCNCC(C)C(F)C#N;OWVAHRLSGQFOSQ-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362440;MM362440;C=CC(O)C(N)CNCC;FZVKVTDHBAZBGE-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362441;MM362441;C=CC(C)C(O)CNCC;BPRHPBGXBDNZQP-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362442;MM362442;CCNCC(O)C(C)C#N;AKQHMXXOCVSJIQ-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362443;MM362443;C=CC(O)C(O)CNCC;YMAGTTNFNFBSHB-UHFFFAOYSA-N;145.2;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362444;MM362444;CCNCC(O)C(O)C#N;QUMYPWNNGSPKOF-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362445;MM362445;C=CC(C)C(F)CNCC;ZYXYRVYKSDALNM-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362446;MM362446;CCOCC(C)C(C)C=O;FGUXAIIIXSFXLX-UHFFFAOYSA-N;144.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362447;MM362447;C=CC(N)C(C)COCC;IPODEQYULBXCDD-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362448;MM362448;C=CC(O)C(C)COCC;JACWIMVEGYLXSM-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362449;MM362449;CCOCC(C)C(O)C#N;PXYRBZLQTNXNSS-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362450;MM362450;CCOCC(O)C(C)C=O;HRQHOEXDZGWSET-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362451;MM362451;CCOCC(O)C(O)C=O;DZSSNSCRLDSSBS-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362452;MM362452;C=CC(F)C(O)COCC;UYLHPUXEQTZGOR-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362453;MM362453;C=CC(C)C(C)NCCC;WCXAYLHBPCZTDO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362454;MM362454;C=CC(C)C(C)NCCF;YWONBDFZYZAXPL-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362455;MM362455;CCCNC(C)C(C)C=O;JLJJNGAFMSXMQS-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362456;MM362456;CCCNC(C)C(C)C#N;ZTGIGUKGLRNZFI-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362457;MM362457;CC(C=O)C(C)NCCF;CHGFRUFCDXRGFE-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362458;MM362458;C=CC(N)C(C)NCCF;NBNJRRZEUOWSKE-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362459;MM362459;C=CC(F)C(C)NCCC;LOGWTZZXENYQOJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362460;MM362460;C=CC(F)C(C)NCCO;PKGZULLOHRPDCA-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362461;MM362461;C=CC(C)C(C)OCCC;XXRHXLIDPSJYNU-UHFFFAOYSA-N;142.24;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362462;MM362462;C=CC(C)C(C)OCCN;VHBDFTBXYUATNI-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362463;MM362463;C=CC(O)C(C)OCCC;QZZLDWAILVVOSR-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362464;MM362464;CCCOC(C)C(O)C=O;RIAQPOXYZVFXJD-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362465;MM362465;CCCOC(C)C(O)C#N;CRFGUKJPOZZDKA-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362466;MM362466;CC(OCCF)C(O)C#N;NRLYJQLRRVAVDQ-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362467;MM362467;C=CC(F)C(C)OCCN;BSNXHDGWAQKIMM-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362468;MM362468;COCOC(C)C(C)C#N;NBKBGUXZHATQFH-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362469;MM362469;C=CC(N)C(C)OCOC;HIIRTELNEBRFGL-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362470;MM362470;COCOC(C)C(F)C#N;YNSOKQUGGFGSQE-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362471;MM362471;C=CC(O)CCC(C)CC;JTSKQIHVTYJXKR-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362472;MM362472;CC(CCCF)N(C)C=O;QOZYUQOLJPILEG-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362473;MM362473;CCCCC(C)N(N)C=N;ARBJQYXNVJRDTD-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362474;MM362474;CCCCC(C)N(O)C=N;MKESVJSCEAPMGW-UHFFFAOYSA-N;144.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362475;MM362475;CC(CCCN)N(O)C=N;CSXDHLRVHGZZHM-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362476;MM362476;CC(CCCO)N(O)C=N;ODVYUGGWITUHNS-UHFFFAOYSA-N;146.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362477;MM362477;CNCCC(C)N(C)C=N;KMGDFTYXINAAKK-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362478;MM362478;CNCCC(C)N(N)C=N;OAPQNXMPRYJJGY-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362479;MM362479;COCCC(C)N(N)C=N;FBGVGMIASAYOFS-UHFFFAOYSA-N;145.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362480;MM362480;COCCC(C)N(N)C=O;WIKBSAQQMZNRLW-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362481;MM362481;C=NN(C)C(C)CCCC;FGUITSMFIGVAKA-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362482;MM362482;CC(C#CCF)=C(C)CN;WXUTXSJTVCGBBB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362483;MM362483;CCC#CC(C)=C(C)CO;KIUXNAAPSHAPAL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362484;MM362484;CC(C#CCN)=C(C)CF;IUMZMSKDZDOUGU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362485;MM362485;CC(C#CCO)=C(C)CF;LIINMEANTVNZJH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362486;MM362486;CC(C#CCF)=C(C)CF;IHZLYTLRZYUKDB-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362487;MM362487;CCC(F)=C(C)C#CCN;DGSXQFDGBKXTJD-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362488;MM362488;CCC(F)=C(C)C#CCO;MBAKIJJOMJWBBO-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362489;MM362489;CC(C#CCN)=C(F)CN;QGNIOPTUCQKNOQ-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362490;MM362490;CC(C#CCN)=C(F)CF;LTGNDONLMGEZSW-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362491;MM362491;CCC#CC(F)=C(C)CC;XTJHWEWAVFJHMN-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362492;MM362492;CCC(C)=C(F)C#CCN;HQANCLKRLQMLPE-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362493;MM362493;CCC(C)=C(F)C#CCO;KUSQPONWWHALMD-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362494;MM362494;CCC#CC(F)=C(C)CN;MHCBJPYXLWEKHE-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362495;MM362495;CC(CN)=C(F)C#CCN;RIRIUSKPINXOFO-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362496;MM362496;CC(CN)=C(F)C#CCO;FUKCJNBKAFLDRZ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362497;MM362497;CCC#CC(F)=C(C)CO;WYKHQBRKNDNPBD-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362498;MM362498;CCC#CC(F)=C(C)CF;XJYHNNSXDMEMHB-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362499;MM362499;CC(CF)=C(F)C#CCN;JMUIHVGNXWZOOA-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362500;MM362500;CCC#CC(F)=C(F)CC;WYTUCBSDJALFQA-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362501;MM362501;CCC#CC(F)=C(F)CO;VZRCEPDMMXQIMH-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362502;MM362502;OCC(F)=C(F)C#CCF;ZZBLJDZQIMRQBA-UHFFFAOYSA-N;150.1;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362503;MM362503;CCC#CC(C)=C(C)OC;LUTAGPIXMODWOM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362504;MM362504;COC(C)=C(C)C#CCF;ZYBOHKVVAUNEFE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362505;MM362505;COC(C)=C(F)C#CCN;GKGQWBSHVYJWNX-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362506;MM362506;COC(C)=C(F)C#CCO;DQSRRGIAAIDXRY-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362507;MM362507;COC(C)=C(F)C#CCF;XCJGAHRJJUCDJF-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362508;MM362508;C=CC#CC(C)=C(C)CC;ZMQADAONILIBFN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362509;MM362509;CCC(C)=C(C)C#CC#N;PBMJNIVTAOHLEA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362510;MM362510;C=CC#CC(C)=C(C)CN;FGUDXJKNLMNZAQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362511;MM362511;C=CC#CC(C)=C(C)CO;UOOAZTQWUJQCAB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362512;MM362512;CC(C#CC#N)=C(C)CO;ZNFTYKYDLIMVCY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362513;MM362513;C=CC#CC(C)=C(C)CF;CUJRGFUQGLVTJS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362514;MM362514;CC(C#CC=O)=C(C)CF;ONXRJLFZSPDGSH-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362515;MM362515;CC(C#CC#N)=C(C)CF;WGKVVHWDUJYRKN-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362516;MM362516;C=CC#CC(C)=C(F)CC;DXPAPAJYIFOJIM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362517;MM362517;CCC(F)=C(C)C#CC#N;XSGUEMCYOSQFFB-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362518;MM362518;CC(C#CC=O)=C(F)CF;GOHDPNWJVJAUNF-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362519;MM362519;CC(C#CC#N)=C(F)CF;URMLHBIMWVDDIL-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362520;MM362520;C=CC#CC(F)=C(C)CC;YGDQVMCXTFGFIM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362521;MM362521;CCC(C)=C(F)C#CC#N;MJORDQBEKDNSCM-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362522;MM362522;C=CC#CC(F)=C(C)CO;AIQSEVNRUNJEJO-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362523;MM362523;CC(CO)=C(F)C#CC#N;WWJSLGGDXDLVFB-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362524;MM362524;C=CC#CC(F)=C(C)CF;GHOYPPQAMBWCMH-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362525;MM362525;CC(CF)=C(F)C#CC=O;MPZZOFBAEBXUJD-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362526;MM362526;CC(CF)=C(F)C#CC#N;XSAXHPHQWXIKLS-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362527;MM362527;C=CC#CC(F)=C(F)CC;RRBISMIBSHNJLT-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362528;MM362528;CCC(F)=C(F)C#CC#N;HTMROGMLKMMMLC-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362529;MM362529;C=CC#CC(F)=C(F)CO;IAPMORNDPQAUQZ-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362530;MM362530;N#CC#CC(F)=C(F)CO;RJGRYRQJQWIVRO-UHFFFAOYSA-N;143.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362531;MM362531;C=CC#CC(C)=C(C)OC;WCWUXKWJRHNIDH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362532;MM362532;COC(C)=C(C)C#CC=O;MRKGWLGWHMZPKD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362533;MM362533;COC(C)=C(C)C#CC#N;LJVNTYMZSJDOBK-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362534;MM362534;C=CC#CC(F)=C(C)OC;PLZFYNRLSVDXSF-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362535;MM362535;COC(C)=C(F)C#CC=O;KLBAOJDSDOWIQR-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362536;MM362536;COC(C)=C(F)C#CC#N;LQTKSWRLKDGVKT-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362537;MM362537;C#CC#CC(C)=C(C)CC;RVHXFVOETOCREJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362538;MM362538;C#CC#CC(C)=C(C)CN;APDPPKQLLYBRDR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362539;MM362539;C#CC#CC(C)=C(C)CO;WXAYLXVNSAEOQQ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362540;MM362540;C#CC#CC(C)=C(C)CF;NCFRIZWSGOCQJP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362541;MM362541;C#CC#CC(C)=C(F)CC;WPJHMLFNLTZRQJ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362542;MM362542;C#CC#CC(C)=C(F)CO;CMLIEULXEVZXJD-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362543;MM362543;C#CC#CC(F)=C(C)CC;GZQGWZKDEXNDGC-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362544;MM362544;C#CC#CC(F)=C(C)CO;GFLPTERWFZZEBY-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362545;MM362545;C#CC#CC(F)=C(C)CF;LMVSWHRDGUOWRN-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362546;MM362546;C#CC#CC(F)=C(F)CC;PCONAVLRNAKZTG-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362547;MM362547;C#CC#CC(F)=C(F)CO;SJJYTIPVKPSFIT-UHFFFAOYSA-N;142.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362548;MM362548;C#CC#CC(F)=C(F)CF;JNPTUZDFKGTLBJ-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362549;MM362549;C#CC#CC(C)=C(C)OC;CKXQJAJKSAVKIO-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362550;MM362550;C#CC#CC(F)=C(C)OC;WKGJEPJBFRKFIH-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362551;MM362551;C=CC(C)=C(C)C#CCC;BIDNIKLJPRQKEL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362552;MM362552;C=CC(C)=C(C)C#CCN;NUBPGPDAZUMPBJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362553;MM362553;CCC#CC(C)=C(C)C=O;XVXXGHIWSOIZNY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362554;MM362554;CCC#CC(C)=C(C)C#N;LLWCVJGACKIKOV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362555;MM362555;CC(C#N)=C(C)C#CCO;SGRFOIPYKRTPLO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362556;MM362556;CC(C#CCF)=C(C)C=O;PJYOEOYCOSSGEC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362557;MM362557;CC(C#N)=C(C)C#CCF;XIBWRHHAMPUDTK-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362558;MM362558;C=CC(F)=C(C)C#CCN;BZLQVRLIWFQOTQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362559;MM362559;CCC#CC(N)=C(C)C=O;RBGHJNUSDSMIBJ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362560;MM362560;CC(O)CCC(C)(C)CF;DRDBZDPQEGNDME-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362561;MM362561;CC(C=O)=C(N)C#CCF;CRVTXHSTMCEOPV-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362562;MM362562;N#CC(F)=C(N)C#CCF;BTKLMRNTRQWLQT-UHFFFAOYSA-N;142.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362563;MM362563;C=C(CN)CC#CC=CC;QKFGYHIVVQEQPC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362564;MM362564;C=CC(C)=C(F)C#CCC;ADGKALHGXAZFFN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362565;MM362565;C=C(CO)CC#CC=CC;WELGGUKBSYAERW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362566;MM362566;C=CC(C)=C(F)C#CCN;DMMPVKRXQPEFEV-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362567;MM362567;C=C(CO)CC#CC=CF;RMWOMFOLHHTUST-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362568;MM362568;C=CC(C)=C(F)C#CCO;QBWRXYLWMATBMA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362569;MM362569;C=C(CF)CC#CC=CC;RDVDIZLEYQRCOA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362570;MM362570;CCC#CC(F)=C(C)C=O;FKCACQDJKHUOON-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362571;MM362571;C=C(CF)CC#CC=CF;FABMGLVEDOZHIK-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362572;MM362572;CCC#CC(F)=C(C)C#N;BWCOOQJHLKCXPL-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362573;MM362573;CC=CC#CCC(=O)CC;QOQXEFQDWYYGBR-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362574;MM362574;CC(C#N)=C(F)C#CCF;ARBUANPNWKYCQT-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362575;MM362575;CC=CC#CCC(=O)CO;CPMBFOWTQWCGAB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362576;MM362576;C=CC(F)=C(F)C#CCC;RZUKZVYZKOUBDX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362577;MM362577;O=C(CO)CC#CC=CF;RXEHKVRZSWSQDW-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362578;MM362578;C=CC(F)=C(F)C#CCN;ODRARAASOLNOKY-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362579;MM362579;CC=CC#CCC(=O)CF;NTLWRXCICFNGDF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362580;MM362580;CCC#CC(F)=C(F)C=O;FWNOUCAVLKRARA-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362581;MM362581;C=C(CC)CC#CC=NN;NBLJISJTYUWUPI-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362582;MM362582;CCC#CC(F)=C(F)C#N;JIJUKJLQXBGEJS-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362583;MM362583;C=C(CC)CC#CC=NO;GWEUCPXBBJLTGI-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362584;MM362584;N#CC(F)=C(F)C#CCO;BBAGDUKGCFUGJS-UHFFFAOYSA-N;143.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362585;MM362585;C=C(CO)CC#CC=NO;OQQVDENQIUQPSX-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362586;MM362586;N#CC(F)=C(F)C#CCF;LMLMTIUVRDHBIZ-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362587;MM362587;C=C(CF)CC#CC=NN;HUAQYZAEHXPKKS-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362588;MM362588;C=CC#CC(C)=C(C)C=C;HSVGUXUVFOBFQN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362589;MM362589;C=C(CF)CC#CC=NO;XRBQIGMIWGFBFW-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362590;MM362590;C=CC(C)=C(C)C#CC#N;PYMXGKYJCQEXQC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362591;MM362591;CC=CC#CCC(=N)NC;ONXZPJHUEIKGJI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362592;MM362592;C=CC#CC(C)=C(C)C#N;OUYVUIIACDJKGZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362593;MM362593;CC=CC#CCC(=N)NN;CIOBOERNBIWJMX-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362594;MM362594;CC(C#N)=C(C)C#CC=O;XUYXNECJEMUTEA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362595;MM362595;CC=CC#CCC(=O)NC;RSLPNDINWVAXTM-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362596;MM362596;CC(C#CC#N)=C(C)C=O;CWNDKZRZJSCRSB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362597;MM362597;CNC(=O)CC#CC=CF;TZENXCZFSPJBCX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362598;MM362598;C=CC#CC(C)=C(F)C=C;KNYHGWJHWDGNNM-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362599;MM362599;C=CCCCC(CC)CO;LXUCISCDSBROOT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362600;MM362600;C=CC(F)=C(C)C#CC#N;QVVPNZKGFUJELX-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362601;MM362601;CC=CC#CCC(=O)NO;POIIKAXRKHTMMJ-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362602;MM362602;C=CC#CC(C)=C(F)C#N;WBZJOWZNRVGDOU-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362603;MM362603;CCC(CO)CCCC#N;WBUFCTHDILSXIT-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362604;MM362604;NN=CC#CCC(=O)NO;CZTCLZGNYANEBG-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362605;MM362605;CC(C#CC=O)=C(F)C=O;AVTOHBKSWTZSCJ-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362606;MM362606;C=C(CC#CC=CC)OC;JKRHPWJLDDUJBT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362607;MM362607;CC(C#CC#N)=C(F)C=O;DDWYDTFTCNTVBX-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362608;MM362608;CC=CC#CCC(=O)OC;IPEVEBSQHZXBAK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362609;MM362609;CC(C#CC#N)=C(F)C#N;WRMXKNDCODPWDG-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362610;MM362610;C=C(CC#CC=NN)OC;JQCBPRFZGLKAFT-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362611;MM362611;C=CC#CC(N)=C(C)C=O;PFUHQFVBINIQKE-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362612;MM362612;C=C(CC#CC=NO)OC;FSPXRZWEIPUZCB-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362613;MM362613;C=CC#CC(N)=C(C)C#N;MHZPWLXNWHGAET-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362614;MM362614;C=CC(=C)CC#CC=CC;QLAKCESEQIMEOL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362615;MM362615;CC(C=O)=C(N)C#CC#N;QBYVXQDGWITCMH-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362616;MM362616;C=C(C=O)CC#CC=CC;IATUKQGTAYXMBB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362617;MM362617;CC(C#N)=C(N)C#CC#N;JFRXWGUETXYNDS-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362618;MM362618;C=C(C#N)CC#CC=CC;YCTOKMNUVARLKR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362619;MM362619;C=CC#CC(N)=C(F)C=O;WKHCXRVJUVRBNG-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362620;MM362620;C=C(C=O)CC#CC=CF;NFPLBARHWQRKDE-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362621;MM362621;C=CC#CC(N)=C(F)C#N;BLSLGNIXMCPBCY-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362622;MM362622;C=CC(=O)CC#CC=CC;DRZVRQQOGCMTOD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362623;MM362623;N#CC#CC(N)=C(F)C#N;SROHNWSYSLRAFB-UHFFFAOYSA-N;135.1;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362624;MM362624;CC=CC#CCC(=O)C=O;XFZAWXGYKDNZLW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362625;MM362625;C=CC#CC(F)=C(C)C=C;JURDXLGRTKZSOO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362626;MM362626;CC=CC#CCC(=O)C#N;VVEDNDMZDHLSIB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362627;MM362627;C=CC(C)=C(F)C#CC#N;UUUGSGJZNBEKQT-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362628;MM362628;O=CC(=O)CC#CC=CF;BLCHHRKJPHGSJQ-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362629;MM362629;C=CC#CC(F)=C(C)C#N;FUVCGUAAIGRKPR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362630;MM362630;C=CC(=C)CC#CC=NN;FWSAFXNEPJOYBW-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362631;MM362631;CC(C#N)=C(F)C#CC#N;LYQZMRQSXXGFIV-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362632;MM362632;C=CC(=C)CC#CC=NO;JQEMBCRXDLJQCF-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362633;MM362633;C=CC#CC(F)=C(F)C#N;MRGDSNWOVUCULE-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362634;MM362634;C=C(C#N)CC#CC=NO;XQOHWRYUYRHISC-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362635;MM362635;N#CC#CC(F)=C(F)C=O;FILUNFAIIAHKGX-UHFFFAOYSA-N;141.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362636;MM362636;C#CC(=C)CC#CC=CC;IEAQEJIZEQBOSC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362637;MM362637;N#CC#CC(F)=C(F)C#N;JHRYQYJDVJZCQY-UHFFFAOYSA-N;138.08;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362638;MM362638;C#CC(=O)CC#CC=CC;UKICIXWGILHNDD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362639;MM362639;C#CC#CC(C)=C(C)C=C;WMOMLKSXUBRDNX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362640;MM362640;C#CC(=C)CC#CC=NN;QQYYATDHDODFJI-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362641;MM362641;C#CC#CC(C)=C(C)C=O;VZGINEJFENZMGI-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362642;MM362642;C#CC(=C)CC#CC=NO;ODTZWRSPVPCSQP-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362643;MM362643;C#CC#CC(C)=C(C)C#N;OEKBAYUPDIONJJ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362644;MM362644;CC#CC#CCC(C)CC;GCQBVTLAHQYTKJ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362645;MM362645;C#CC#CC(C)=C(F)C=C;ITPLNTXOIAUQNR-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362646;MM362646;C#CC#CC(C)=C(F)C=O;FJKKNADIOAXHBC-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362647;MM362647;CC#CC#CCC(C)CN;JAHCKNONQTXPKH-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362648;MM362648;C#CC#CC(C)=C(F)C#N;ZYDWODMHSMNLSS-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362649;MM362649;C#CCCCC(CC)CO;PZYDLCOLSKFTRU-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362650;MM362650;C#CC#CC(N)=C(C)C#N;XITQMIWKJPRCMV-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362651;MM362651;CC#CC#CCC(C)CF;MPHPUFDATJRLJL-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362652;MM362652;C#CC#CC(N)=C(F)C#N;MVOXPLMLSQNZPU-UHFFFAOYSA-N;134.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362653;MM362653;CC#CC#CCC(N)CC;CKAJXHUIEFXCOM-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362654;MM362654;C#CC#CC(F)=C(C)C=C;DCSUKNULSDLNSW-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362655;MM362655;CC#CC#CCC(N)CN;GMHDSRYIBMLDHA-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362656;MM362656;C#CC#CC(F)=C(C)C#N;LSVXMPIYJXCRFJ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362657;MM362657;CC#CC#CCC(N)CO;OSUYKDXYXNSPGK-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362658;MM362658;C#CC#CC(F)=C(F)C=C;LRWIHHXAWYJJQB-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362659;MM362659;CC#CC#CCC(N)CF;GDBISHULBSNZEP-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362660;MM362660;C#CC#CC(F)=C(F)C=O;WQDUWNSWRVOIFM-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362661;MM362661;NNc1cnn(N)c(=O)n1;NXYWHSSEBSVSGJ-UHFFFAOYSA-N;142.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362662;MM362662;C#CC#CC(F)=C(F)C#N;UVYPRWBJGYHMTM-UHFFFAOYSA-N;137.09;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362663;MM362663;CC#CC#CCC(O)CN;JOEKWUXGLSHVGN-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362664;MM362664;C#CC(C)=C(C)C#CCC;CRMKGDCHSDLQEH-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362665;MM362665;CC#CC#CCC(O)CO;OHSKXAHNJNZCEV-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362666;MM362666;C#CC(C)=C(C)C#CCN;UNQDMPDKYXVPAE-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362667;MM362667;CC#CC#CCC(O)CF;CTZMMMRUJRYAKO-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362668;MM362668;C#CC(C)=C(C)C#CCO;AMMCWPSQEZKRHK-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362669;MM362669;CC#CC#CCC(F)CC;STPXPPKPTKUGLR-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362670;MM362670;C#CC(C)=C(C)C#CCF;PHQKYGOALASONA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362671;MM362671;CC#CC#CCC(F)CN;BEGPYNOZLLRHQS-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362672;MM362672;C#CC(F)=C(C)C#CCN;BIMBNJMQMSKSGC-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362673;MM362673;CC#CC#CCC(F)CO;OOYUOQKLISXZQC-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362674;MM362674;C#CC(C)=C(F)C#CCC;AOJYGMYEFYTJJY-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362675;MM362675;CC#CC#CCC(F)CF;LHQVRTSOYUNCBC-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362676;MM362676;C#CC(C)=C(F)C#CCO;OJLUFKSRURYFMZ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362677;MM362677;CC#CC#CCC(C)NC;GJGQTKIRMXBEMR-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362678;MM362678;C#CC(C)=C(F)C#CCF;LMHYIXKJMYZOEU-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362679;MM362679;CC#CC#CCC(C)OC;JFZNXPVCEFJDOW-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362680;MM362680;C#CC(F)=C(F)C#CCC;XIFRMAYYKKSRNN-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362681;MM362681;C=CC(C)CC#CC#CC;JEXWWXDJMMSTRR-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362682;MM362682;C#CC(F)=C(F)C#CCN;ZZVOCAXBDKGBKV-UHFFFAOYSA-N;141.12;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362683;MM362683;CC#CC#CCC(C)C=O;LDPNWLKHDFFLTH-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362684;MM362684;C#CC(F)=C(F)C#CCO;NJTHUBVVUKKLHN-UHFFFAOYSA-N;142.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362685;MM362685;CC#CC#CCC(C)C#N;NIOUPHQASZFXEG-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362686;MM362686;C#CC(C)=C(C)C#CC=C;OBKMJUTXXNPHNZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362687;MM362687;C=CC(N)CC#CC#CC;DMJMTRJPNVAMSC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362688;MM362688;C#CC(C)=C(C)C#CC=O;JLYKUZAFAGUWPE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362689;MM362689;C=CC(O)CC#CC#CC;GIPFSVFWDXQSDE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362690;MM362690;C#CC(C)=C(C)C#CC#N;NEVQGKNVSQWTIX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362691;MM362691;CC#CC#CCC(O)C=O;PGHPNGLCEZEVNP-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362692;MM362692;C#CC(F)=C(C)C#CC=C;ULERUKXQOZEXCK-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362693;MM362693;CC#CC#CCC(O)C#N;OWOXZTGZQJWCQM-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362694;MM362694;C#CC(F)=C(C)C#CC#N;XZBANZFZFUMVSY-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362695;MM362695;C=CC(F)CC#CC#CC;QNRQGKJJUWLMAA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362696;MM362696;C#CC(C)=C(F)C#CC=C;YDQRRZLSBZYAKT-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362697;MM362697;CC#CC#CCC(F)C=O;RVUIHGFHYXBTAW-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362698;MM362698;C#CC(C)=C(F)C#CC=O;LYWDYXQLRVRGOD-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362699;MM362699;CC#CC#CCC(F)C#N;IKQOUSPMKLLJQP-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362700;MM362700;C#CC(C)=C(F)C#CC#N;OGRJRSCGOYYLSA-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362701;MM362701;CC#CC#CCN(C)C=N;VVWGDJRDGVAMCO-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362702;MM362702;C#CC(F)=C(F)C#CC=C;CQTJUZPWRSQIPI-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362703;MM362703;CC#CC#CCN(C)C=O;ZPVSMMZNINJWKK-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362704;MM362704;C#CC(F)=C(F)C#CC#N;VAAOEPHHYKPJOE-UHFFFAOYSA-N;137.09;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362705;MM362705;CC#CC#CCN(N)C=N;MPGMBDRTADOQEK-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362706;MM362706;C#CC#CC(C)=C(C)C#C;XGAPHQQNOXYPCF-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362707;MM362707;CC#CC#CCN(N)C=O;DWOCCXXFKAVFGU-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362708;MM362708;C#CC#CC(C)=C(F)C#C;UCFBFCCDKPJSAJ-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362709;MM362709;C#CC#CC(F)=C(C)C#C;UNIBJIGILOLFRS-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362710;MM362710;C=NN(C)CC#CC#CC;ASTZKBKANUAECW-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362711;MM362711;C#CC#CC(F)=C(F)C#C;SPCKMNOMODRFSK-UHFFFAOYSA-N;136.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362712;MM362712;C#CC(C)CC#CC#CC;LUNZGRHTHUXCBS-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362713;MM362713;C=CC(F)CC(=O)N(C)N;HDAVMRUYEUTFLE-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362714;MM362714;C#CC(N)CC#CC#CC;PLRCFZWUUHNWTL-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362715;MM362715;CC(CN)CCCCCN;OGJZJWVBRMAQBR-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362716;MM362716;C#CC(O)CC#CC#CC;HIVYLLLROGGVNK-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362717;MM362717;CC(CN)CCCCCO;MQGZZIWPTSJWLT-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362718;MM362718;C#CC(F)CC#CC#CC;LCRMDIBBSKPUTR-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362719;MM362719;CC(CN)CCCCCF;RENNCGIGEQLYQR-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362720;MM362720;C=C(CC)CC#CC#CC;JWTMDMIZIWQDHJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362721;MM362721;CC(CF)CCCCCN;CVMCQIDLWXHYDT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362722;MM362722;C=C(CN)CC#CC#CC;VAJZCYCNPXYIGT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362723;MM362723;CC(CO)C1C(C)C1(C)C;VWINXGKHAIZNND-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362724;MM362724;C=C(CO)CC#CC#CC;GCSMLPLCWDGNKR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362725;MM362725;CCC(N)CCCCCN;QAHWBDBQIHMPRN-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362726;MM362726;C=C(CF)CC#CC#CC;VIYHTPPMYARMNZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362727;MM362727;CCC(N)CCCCCF;CJLLGONYPHQEBE-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362728;MM362728;CC#CC#CCC(=O)CC;LHZNTANNNBIHBH-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362729;MM362729;NCCCCCC(N)CN;XIDVIMKVLHNJQZ-UHFFFAOYSA-N;145.25;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362730;MM362730;CC#CC#CCC(=O)CO;KJIBHSQRLSFAGT-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362731;MM362731;NCC(N)CCCCCO;JSVYSABQDCOWBF-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362732;MM362732;CC#CC#CCC(=O)CF;SARXJVLJMKHTSS-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362733;MM362733;NCCCCCC(N)CO;MNCGDMBLXGJKOB-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362734;MM362734;CC#CC#CCC(=N)NC;OAIBMZPUWPRDRC-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362735;MM362735;NC(CO)CCCCCO;RGDCRZYIBLSUDU-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362736;MM362736;CC#CC#CCC(=N)NN;KTWFNCNZDVBUJA-UHFFFAOYSA-N;135.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362737;MM362737;NC(CF)CCCCCF;CCROMIOOKQKUOB-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362738;MM362738;CC#CC#CCC(=O)NC;FBYMXMREWJWYGV-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362739;MM362739;CCC(O)CCCCCN;PCHZTDBTASTWTJ-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362740;MM362740;CC#Cc1c[nH]c(NC)c1;NECHRIYHOMXQHJ-UHFFFAOYSA-N;134.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362741;MM362741;CCCCCCC(O)CN;MPGVRLGIUWFEPA-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362742;MM362742;CC#CC#CCC(=O)NO;FCPMLCWBVSYUBG-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362743;MM362743;NCCCCCC(O)CN;VNPKUMIWTNLQCX-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362744;MM362744;C=C(CC#CC#CC)OC;QVTYSVNMHGYHNH-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362745;MM362745;NCC(O)CCCCCO;PLZJREOKQIHKHE-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362746;MM362746;CC#CC#CCC(=O)OC;XPXLRVMQDFFYSP-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
1,2-Octanediol;MM00004;CCCCCCC(O)CO;AEIJTFQOBWATKX-UHFFFAOYSA-N;146.23;1.31;14231;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362747;MM362747;C=CC(=C)CC#CC#CC;MHLRXJBZXVSJJP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362748;MM362748;NCCCCCC(O)CO;FIQUNODZWYTRIR-UHFFFAOYSA-N;147.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362749;MM362749;C=C(C=O)CC#CC#CC;JMLYRXGDMKQBPZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362750;MM362750;OCCCCCC(O)CO;CTRCJSPDRXFNNN-UHFFFAOYSA-N;148.2;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362751;MM362751;C=C(C#N)CC#CC#CC;OUOZIARDEORHSG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362752;MM362752;CCC(F)CCCCCN;PFOURJCCEDAQNV-UHFFFAOYSA-N;147.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362753;MM362753;C=CC(=O)CC#CC#CC;VGYKWGWWPUSPQL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362754;MM362754;NCC(F)CCCCCF;AZAABTVNKDWIGA-UHFFFAOYSA-N;151.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362755;MM362755;CC#CC#CCC(=O)C=O;JDTQZSGGOPDBNX-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362756;MM362756;CC(O)CCC1(C)CC1C;HPJZAOFNVZBLNO-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362757;MM362757;CC#CC#CCC(=O)C#N;DQWCDBIDYFPNJQ-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362758;MM362758;CNCCCCC(C)CF;MOLUGADZJXYFSJ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362759;MM362759;C#CC(=C)CC#CC#CC;COSXDNUNZFJXRG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362760;MM362760;CNCCCCC(N)CN;RGZCERNBYSBDNT-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362761;MM362761;C#CC(=O)CC#CC#CC;CNFUUJKXPXJGPU-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362762;MM362762;CNCCCCC(N)CO;RNHCOUQMXRMVKX-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362763;MM362763;CC=C(C)CC#CCCC;DREOLPYEWXZHNI-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362764;MM362764;CCC(O)CCCCNC;GFWVCTBXVZZCEX-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362765;MM362765;CC=C(C)CC#CCCN;ZCQXFLPILNATBM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362766;MM362766;CNCCCCC(O)CN;VRDVKJCFNHMIDO-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362767;MM362767;CC=C(C)CC#CCCO;NNGOIBWAESUFHU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362768;MM362768;CNCCCCC(O)CO;JQRUKMYGEOIAGC-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362769;MM362769;CCCC#CCC(C)=CF;ATQDVDDXUJTMIT-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362770;MM362770;CCC(F)CCCCNC;HRGHZKGNBDYYDE-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362771;MM362771;CC(=CF)CC#CCCN;PHAHXYUECYKOIM-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362772;MM362772;CNCCCCC(F)CN;DPKQFIPJDVBKJC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362773;MM362773;CC(=CF)CC#CCCF;UVUCDZXHBWJOOA-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362774;MM362774;COCCCCC(N)CN;LUUSGEOXZITDQE-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362775;MM362775;CC=C(F)CC#CCCC;VKERYRUHOCKRPY-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362776;MM362776;CCNCCCC(C)CN;GZEJLBATWQXPKT-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362777;MM362777;CC=C(F)CC#CCCN;MVMIWVGDAVAEED-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362778;MM362778;CCNCCCC(C)CO;WRGGCEZAIFFERI-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362779;MM362779;CCCC#CCC(F)=CF;UDFNCQUKRHMFBJ-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362780;MM362780;CCNCCCC(C)CF;ZFKDNSBDDWDZNP-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362781;MM362781;NCCC#CCC(F)=CF;SAVBTNZLGAOPEZ-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362782;MM362782;CCNCCCC(N)CC;DPWMLTPWHWTYAF-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362783;MM362783;OCCC#CCC(F)=CF;LFCZPGFERKUSHO-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362784;MM362784;CCNCCCC(N)CN;BDMIUXJSOKIYCR-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362785;MM362785;CC=C(C)CC#CCNC;BXSBQQIKKZWGGA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362786;MM362786;CCNCCCC(N)CO;ZKDOGSRNGPPILM-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362787;MM362787;CNCC#CCC(C)=CF;XGLZQWASCFRTEB-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362788;MM362788;CCNCCCC(O)CC;FOLNZNMZCGWQEE-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362789;MM362789;CC=C(F)CC#CCNC;KUSHKBQDVNJHHV-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362790;MM362790;CCNCCCC(O)CN;TZGHJVAVEYODCX-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362791;MM362791;CNCC#CCC(F)=CF;ASCFRPUOUYNJRZ-UHFFFAOYSA-N;145.15;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362792;MM362792;CCNCCCC(O)CO;VRRSSRWJTATNQX-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362793;MM362793;CCCC#CCC(C)=NN;ROAQOPIVZHGVBT-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362794;MM362794;CCNCCCC(F)CC;GZQTZEDTBJNIDP-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362795;MM362795;CC(CC#CCCF)=NN;JMSXQFHKBAIQNS-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362796;MM362796;CCOCCCC(C)CN;VHYHCZABHMDEOK-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362797;MM362797;CCCC#CCC(C)=NO;UYMRDRMHDOVWCL-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362798;MM362798;CC(O)CCC1(C)CC1O;NECXIBVDMPWWAJ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362799;MM362799;CNCC#CCC(C)=NN;GJRJPKAGADWIOA-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362800;MM362800;CCOCCCC(C)CF;UNUACYYRONHUTO-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362801;MM362801;COCC#CCC(C)=NN;PKFBPHFENMIFNY-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362802;MM362802;CCOCCCC(N)CC;PBCUQWJBXVSRIC-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362803;MM362803;COCC#CCC(C)=NO;BUIJPZJGZJAZAR-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362804;MM362804;CCOCCCC(N)CN;PJCCUHXZOLGLFM-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362805;MM362805;C=CCC#CCC(C)=CC;SKGPDNSYZXOWHQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362806;MM362806;CCOCCCC(N)CF;XGMYXITYLYTGFF-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362807;MM362807;CC=C(C)CC#CCC=O;FGQNDKRTYIGIGD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362808;MM362808;CCOCCCC(O)CC;YEHVMOSEQXQFJE-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362809;MM362809;CC=C(C)CC#CCC#N;LEZJDAKDHPQLLL-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362810;MM362810;CCOCCCC(O)CN;ZOJQWPGDLBZRAA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362811;MM362811;C=CCC#CCC(C)=CF;ZTQXWIOYHZYAGH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362812;MM362812;CCOCCCC(F)CC;XUBWYPFTYCTWOQ-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362813;MM362813;CC(=CF)CC#CCC=O;RMLOFEIFXRFKMS-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362814;MM362814;CNC(C)CCCCCN;HNACEZZTNZJKEH-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362815;MM362815;CC(=CF)CC#CCC#N;QUNXGUBAJIIQIP-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362816;MM362816;CNC(C)CCCCCO;QVNKLAOPFLOJLE-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362817;MM362817;C=CCC#CCC(F)=CC;GDRKHACQHLEUOI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362818;MM362818;CNC(C)CCCCCF;NOWUDLQHJDYURF-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362819;MM362819;CC=C(F)CC#CCC=O;NJLINGBRCKSCAC-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362820;MM362820;CCNCCCC(C)NC;WWNQPWSYRONOMV-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362821;MM362821;CC=C(F)CC#CCC#N;BAQAUHALWVHXSI-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362822;MM362822;CCOCCCC(C)NC;MSUKCSMABHKRDE-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362823;MM362823;C=CCC#CCC(F)=CF;VIYXJOZDKLSAQJ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362824;MM362824;COC(C)CCCCCN;VTFAXJJQWCNICJ-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362825;MM362825;O=CCC#CCC(F)=CF;BSJHVWPVJMVICR-UHFFFAOYSA-N;144.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362826;MM362826;CC1(O)C=CC(CO)CC1;XOULKZKTBLCREC-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362827;MM362827;N#CCC#CCC(F)=CF;OFQFFLZADCDPDX-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362828;MM362828;CCOCCCC(C)OC;MGVMIWQZYAWRGF-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362829;MM362829;C=CCC#CCC(C)=NN;MQJFFDDHKMQWER-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362830;MM362830;CCC(C)CCNCCN;JLMZZXJCTSLNQN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362831;MM362831;C=CCC#CCC(C)=NO;BAWLQXMSBSPDMB-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362832;MM362832;CCC(C)CCNCCO;RAAJTUFTFVILII-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362833;MM362833;CCCNCCC(C)CN;BSWSZXHCWVYDDZ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362834;MM362834;CC(CC#CCC=O)=NO;VZEHNLJISSEJRM-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362835;MM362835;CCCNCCC(C)CO;FHWKBOCAVFTNJW-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362836;MM362836;CC(CC#CCC#N)=NO;PKFQFJAPGGGQIM-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362837;MM362837;CC(CF)CCNCCN;RJAOXGNLPLPKEW-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362838;MM362838;C#CCC#CCC(C)=CC;YMEZQUMSNZKDJI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362839;MM362839;CC(CF)CCNCCF;CLUNRUVOWHWSHC-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362840;MM362840;C#CCC#CCC(C)=CF;IUWUBEBCDJVPDL-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362841;MM362841;CCCNCCC(N)CC;OLFQAXAXVGTQGG-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362842;MM362842;C#CCC#CCC(F)=CC;QEXGCGPGHXEBOL-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362843;MM362843;CCC(N)CCNCCO;KVJHLYQDKUMRFI-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362844;MM362844;C#CCC#CCC(F)=CF;FKGUQLFPNAMRNK-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362845;MM362845;CCCNCCC(N)CN;JLEOAEVGKBMJPM-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362846;MM362846;C#CCC#CCC(C)=NN;GLDJMULGWUIQKT-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362847;MM362847;NCC(N)CCNCCO;JQJODVPADVVMKF-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362848;MM362848;C#CCC#CCC(C)=NO;HLBOTZLIJXYTFQ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362849;MM362849;CCCNCCC(N)CO;XKPZHXNHQWQQDH-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362850;MM362850;CC=CC#CCC(C)=CC;UNPGKDPPUOCCPX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362851;MM362851;NCCNCCC(N)CO;QDHWFJZUPNNVRY-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362852;MM362852;CC=C(C)CC#CC=CF;SVGPFKSKIFDYNH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362853;MM362853;NCCNCCC(N)CF;XTXDARCPVJOSOK-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362854;MM362854;CC=CC#CCC(C)=CF;XWCPPUSMMHTKQJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362855;MM362855;NC(CF)CCNCCF;QSTINPGARFCRHI-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362856;MM362856;CC=CC#CCC(F)=CC;GBEAXIBMITUEIO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362857;MM362857;CCC(O)CCNCCO;YBVXCCOSTXZYLD-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362858;MM362858;CC=CC#CCC(F)=CF;ZSHGGCWDKNKBNE-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362859;MM362859;CCCNCCC(O)CN;QZGXJEVSXDEHTJ-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362860;MM362860;CC=C(C)CC#CC=NN;SITMNIQYWNXVFO-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362861;MM362861;NCCNCCC(O)CN;GSRGWXURPLAGSH-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362862;MM362862;CC=C(C)CC#CC=NO;NHXWNIDQHJECKX-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362863;MM362863;NCC(O)CCNCCO;RGBQXJULIUBSMG-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362864;MM362864;OCCNCCC(O)CO;AUYUOCUSOWVNNV-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362865;MM362865;CC(=CF)CC#CC=NN;ZTVVEEBZKYUZTB-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362866;MM362866;CCCNCCC(O)CF;LIAQUEXGWAIFTD-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362867;MM362867;CC(=CF)CC#CC=NO;JMFZKXQZGNNYHR-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362868;MM362868;OCCNCCC(O)CF;QGRLPZPVDGVOOE-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362869;MM362869;C=CC(O)C1CC1C#CC;VHTUTEQOWIDHMY-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362870;MM362870;CCCNCCC(F)CC;KRMDPYNSUIBSGT-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362871;MM362871;CC=C(F)CC#CC=NO;HLQQPYFUYNEICO-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362872;MM362872;CCC(F)CCNCCF;OPUZZPNHUKRXOK-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362873;MM362873;C=CC#CC1C(C=O)N1C;QFNOEKJYALZGIZ-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362874;MM362874;NCCNCCC(F)CN;ILAZZJFBCDVAJS-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362875;MM362875;ON=CC#CCC(F)=CF;CDCVGCNDCGMZSF-UHFFFAOYSA-N;145.11;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362876;MM362876;OCCNCCC(F)CO;NDFMULASYVJHPC-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362877;MM362877;CC=CC#CCC(C)=NN;PNVSCGHLMFYHET-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362878;MM362878;CCCNCCC(F)CF;YXOKFRKQGQVKMF-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362879;MM362879;CC(CC#CC=CF)=NN;ZYZCHOZGSDANPF-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362880;MM362880;OCCNCCC(F)CF;AEHHFPZFSIIXQR-UHFFFAOYSA-N;153.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362881;MM362881;CC=CC#CCC(C)=NO;CHNSFCYAZINCHY-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362882;MM362882;CC(CC#CC=NN)=NN;BYQMGCIVICKLCB-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362883;MM362883;CCCNCCC(C)NC;QZVBYVMRKGMJQK-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362884;MM362884;CC#CC#CCC(C)=CC;FWGKMOQTBKMELZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362885;MM362885;COC(C)CCNCCN;VVMVPQIGPZFWNQ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362886;MM362886;CC#CC#CCC(C)=CF;GKXLVUAGWFEIHP-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362887;MM362887;CCC(C)CCOCCN;LEBZTVGKZWJKGM-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362888;MM362888;CC#CC#CCC(F)=CC;ZCFWXGVFKUTWAU-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362889;MM362889;CCC(C)CCOCCO;GJFKNZAIAXDMQZ-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362890;MM362890;CC#CC#CCC(F)=CF;SURYBHCUTSGZNU-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362891;MM362891;CCCOCCC(C)CN;UVZZZADKCIKYPB-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362892;MM362892;CC#CC#CCC(C)=NN;JVOIOVSCTKTXFL-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362893;MM362893;CC(CF)CCOCCO;ZYEXJJOKACHTRK-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362894;MM362894;CC#CC#CCC(C)=NO;ZLFUVRARXMZLOE-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362895;MM362895;CCCOCCC(N)CN;DGXLNIOQHQQZCS-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362896;MM362896;CCCCC=CC(C)CC;ZTKHMNVIURCTGG-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362897;MM362897;NCC(N)CCOCCO;OVBOFZKHHUVBSM-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362898;MM362898;CCC(C)C=CCCCN;WUNJNROZMKWKOF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362899;MM362899;NCCOCCC(N)CO;DWESXHPCJHSUAG-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362900;MM362900;CCC(C)C=CCCCF;STZDRACJWYQNCY-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362901;MM362901;NCCOCCC(N)CF;RJGSRMRSODVNFY-UHFFFAOYSA-N;150.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362902;MM362902;CCCCC=CC(C)CN;VQLSQWHWPFDWTJ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362903;MM362903;NC(CF)CCOCCO;RJSHXOPSHKYGAM-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362904;MM362904;CC(C=CCCCN)CN;HWOLLIPMORCPFQ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362905;MM362905;CCC(O)CCOCCF;CQHQLFFPFQJZSQ-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362906;MM362906;CC(C=CCCCO)CN;SSVNXCJOUCMRFB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362907;MM362907;CCCOCCC(O)CN;KWDNLYKQPDGFOQ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362908;MM362908;CC(C=CCCCF)CN;YYCUROZODIJANT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362909;MM362909;OCCOCCC(O)CF;GLNJOONMJVKCQH-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362910;MM362910;CCC(CO)CCC1CC1;WJKYGDFDXAUBJV-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362911;MM362911;OC(CF)CCOCCF;CIXLDEUKTZKSSM-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362912;MM362912;CC(C=CCCCN)CO;CNAROHNRWABFEN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362913;MM362913;CCCOCCC(F)CC;JVBBPZFPMKKFAV-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362914;MM362914;CCCCC=CC(C)CF;GUSVKQRBSAMHBW-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362915;MM362915;NCC(F)CCOCCF;ZZVRQGDHJOBPAR-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362916;MM362916;CCC(CO)CCC1CO1;QBRYJRFOQDLXME-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362917;MM362917;OCCOCCC(F)CF;WVBZHRAZSYDLCY-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362918;MM362918;CCCCC=CC(N)CC;OFKXKGYXHHYLFA-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362919;MM362919;CCC(C)CCOCOC;NQQIVUGCNHUUSX-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362920;MM362920;CCC(N)C=CCCCN;NNXVYNOGNFZIFO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362921;MM362921;COCOCCC(C)CN;NJNVWAPLMWNQAN-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362922;MM362922;CCC(N)C=CCCCO;WPFJULAKXLIPQK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362923;MM362923;COCOCCC(C)CO;QZYYOMGXADDEFC-UHFFFAOYSA-N;148.2;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362924;MM362924;CCC(N)C=CCCCF;RGJFJIQNORBEME-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362925;MM362925;CCC(N)CCOCOC;TZHIYZGTGKDGIV-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362926;MM362926;CCCCC=CC(N)CN;UQSOOXREJZYBRH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362927;MM362927;COCOCCC(N)CF;GGFQMTWSDNYGPL-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362928;MM362928;CCCCC=CC(N)CO;OYVWLKFSWYTCGP-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362929;MM362929;CCC(O)CCOCOC;NBDYPVZZGGWWCM-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362930;MM362930;NCCCC=CC(N)CO;PHLDPHGTIKAJGU-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362931;MM362931;COCOCCC(O)CN;FTHNZMJHQMIUAV-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362932;MM362932;NC(C=CCCCO)CO;YQEDETSIOVQHFD-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362933;MM362933;COCOCCC(F)CN;QPHYKLRBFKDGPC-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362934;MM362934;NC(C=CCCCO)CF;NXRFKLUNAWRWTB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362935;MM362935;COCOCCC(F)CO;IQMYUFIHAFAXKK-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362936;MM362936;C=CC(C)(O)C=CC;NLOBPOCPSUKHPD-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362937;MM362937;COCOCCC(F)CF;KKVGEWQPDMZVTD-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362938;MM362938;CCC(O)C=CCCCN;FTKSQUJSOGDSLE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362939;MM362939;CNC(C)CCOCOC;SSUZNOSSUABZDT-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362940;MM362940;C#CCCCC(C)O;UUVYQHRAOICJTA-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362941;MM362941;COC(C)CCOCCN;LIEZAIITTOMCGK-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362942;MM362942;NN1CC(F)CC1=O;HBGOHQWKQQWMIP-UHFFFAOYSA-N;118.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362943;MM362943;CCC(C)CNCCCN;QBJVMUMPGQUHQP-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362944;MM362944;CCCCC=CC(O)CN;SYKJTCYIJOQMKZ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362945;MM362945;CCCCNCC(C)CN;WQTFCZBDECKDEZ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362946;MM362946;CCCCC=CC(O)CO;XTGAENOYYJUUMF-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362947;MM362947;CCCCNCC(C)CO;UKKXBFCVFOUUSY-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362948;MM362948;NCCCC=CC(O)CO;BMNATNKVUDBVEG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362949;MM362949;CCCCNCC(C)CF;MSUKNYQYRKWITE-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362950;MM362950;OCC(O)C=CCCCF;HRFONCJICUJKST-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362951;MM362951;CC(CF)CNCCCF;UAAFTBLANHPSHS-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362952;MM362952;CCC(F)C=CCCCN;MYUYVLRAPBDYKW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362953;MM362953;CCCCNCC(N)CC;OAYLSWGYEKKBCA-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362954;MM362954;CCC(F)C=CCCCF;AUZOZDGCRSWZLG-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362955;MM362955;CCCCNCC(N)CN;UZDKIUQTMIQSRJ-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362956;MM362956;NCCCC=CC(F)CN;IQEZVBXKADYYSB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362957;MM362957;CCCCNCC(N)CO;FRGYXGFXDHTZBK-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362958;MM362958;NCC(F)C=CCCCF;DNGBKGCSXYQLJU-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362959;MM362959;CCCCNCC(N)CF;XCAZONKGADJUOJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362960;MM362960;CCC(C)C=CCCNC;DBSGULKMSNIPQG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362961;MM362961;NC(CF)CNCCCF;HGIULDVIQUEKJT-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362962;MM362962;CNCCC=CC(C)CN;LELKZDAOPMXFON-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362963;MM362963;CCCCNCC(O)CC;GXYBNJLPOYEQEY-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362964;MM362964;CNCCC=CC(C)CF;KYAOGCWREFZERN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362965;MM362965;CCC(O)CNCCCO;NPRKMBXIMQCVGU-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362966;MM362966;CCC(N)C=CCCNC;CKVNXRIIHBFOMV-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362967;MM362967;CCCCNCC(O)CN;SXAKUHXVNNZCFQ-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362968;MM362968;CNCCC=CC(N)CO;ZFEQHCKSKGQILV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362969;MM362969;CCCCNCC(O)CF;CCFZCFSSCDCOHN-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362970;MM362970;CCC(O)C=CCCNC;XGQPOCALNLQMJO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362971;MM362971;OCCCNCC(O)CF;YIHQYHPEZVSVQE-UHFFFAOYSA-N;151.18;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362972;MM362972;CNCCC=CC(O)CO;UOUDVOHTWAWYOS-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362973;MM362973;OC(CF)CNCCCF;AUMIAWVWKGIMQX-UHFFFAOYSA-N;153.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362974;MM362974;CCC(F)C=CCCNC;WNBNDSFDOUXMBB-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362975;MM362975;CCCCNCC(F)CC;RNVVZHYVDBQCLC-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362976;MM362976;CNCCC=CC(F)CF;ABIYBAXKFATNRN-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362977;MM362977;CCC(F)CNCCCF;BHLUOJRBTUPKTP-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362978;MM362978;COCCC=CC(O)CN;CDTIXEBMUGXRKT-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362979;MM362979;CCCCNCC(F)CN;XCZGAVJQGXWSJK-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362980;MM362980;COCCC=CC(F)CN;QUFJZODQVQDSPS-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362981;MM362981;CCCCNCC(F)CO;QYCJESIEBSZPBF-UHFFFAOYSA-N;149.21;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362982;MM362982;CCNCC=CC(C)CC;CUKBOGWURANFSH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362983;MM362983;CCCCNCC(F)CF;DQHAVSCVTKIHDX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362984;MM362984;CCNCC=CC(C)CN;GNTIEFGYKVWZKI-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362985;MM362985;CCC(C)CNCCNC;NBOGVAHZBQFGBU-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362986;MM362986;CCNCC=CC(C)CO;RWHAZABOHTUWJX-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362987;MM362987;CNCCNCC(C)CN;NQXHUDLKLHJVFW-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362988;MM362988;CCNCC=CC(C)CF;YRLMUPBQWLKJRQ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362989;MM362989;COCCNCC(C)CO;VZQPSUCKXUVWLD-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362990;MM362990;CCOCC=CC(N)CF;LUFTZPGKDNAWKI-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362991;MM362991;CCCCNCC(C)NC;ZEZGAOOKQUQHDA-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362992;MM362992;CCOCC=CC(F)CC;RKWSPPDHKMTVKS-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362993;MM362993;CNC(C)CNCCOC;SMLNOBJXOIXJOX-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362994;MM362994;CCCCC=CC(C)NC;LJYQNAGAWUJPEH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362995;MM362995;COC(C)CNCCCO;FCDKELMYKMMSGQ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362996;MM362996;CNC(C)C=CCCCN;OWGGXVLAKJTTIM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362997;MM362997;COC(C)CNCCCF;FIAAHOLAEQCUJI-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362998;MM362998;CNC(C)C=CCCCO;WLEHRMKQXZPWBJ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM362999;MM362999;CCC(N)COCCCF;SQHBCPAQERUHSM-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363000;MM363000;CNC(C)C=CCCCF;RQIOGYRGQIWVKR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363001;MM363001;NC(CO)COCCCO;DULFXJSDRMDFQB-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363002;MM363002;CNCCC=CC(C)NC;BUWDFJOZZABONO-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363003;MM363003;NC(CF)COCCCO;LZCYGVKTNVIKAU-UHFFFAOYSA-N;151.18;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363004;MM363004;CCNCC=CC(C)NC;DKRWHWQERMVZGY-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363005;MM363005;NC(CF)COCCCF;FCVQRCZZPNXRQG-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363006;MM363006;CCCCC=CC(C)OC;DQKKUMVZEOJRGQ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363007;MM363007;CCC(O)COCCCN;PBPUQSJDKCUCPW-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363008;MM363008;CNCCC=CC(C)OC;JLLNCFPRYPMDEV-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363009;MM363009;CCC(O)COCCCF;KOCJCMDGWPCYAR-UHFFFAOYSA-N;150.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363010;MM363010;CCC(C)C=COCCN;USEQHBNWZZJLMW-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363011;MM363011;NCC(O)COCCCO;BNNQHJAPSCIQEQ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363012;MM363012;CCC(C)C=COCCO;WRDRQQVFNLNRFW-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363013;MM363013;NCCCOCC(O)CO;LCTPWIYQTIJTQU-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363014;MM363014;CCCOC=CC(C)CN;DKJXIBNTKWWAFZ-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363015;MM363015;OCCCOCC(O)CO;VQJSZTOCGNFWNP-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363016;MM363016;CC(C=COCCN)CN;IXXZBSIKZWOLIL-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363017;MM363017;CCCCOCC(F)CC;ZZHXVNNVLNYUDV-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363018;MM363018;CC(C=COCCO)CN;XUNHSQNMUGKJFV-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363019;MM363019;NCC(F)COCCCF;YJLRERGBUJLBFH-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363020;MM363020;CCC(N)C=COCCN;BVOGNTBTHLZPRE-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363021;MM363021;OCCCOCC(F)CO;GSKBILLULRMGDE-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363022;MM363022;CCC(N)C=COCCO;YUONIDFPZDOQPR-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363023;MM363023;OCCCOCC(F)CF;ATLQURAZDMNJRS-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363024;MM363024;CCCOC=CC(N)CN;SZKHLRRJHXXJRD-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363025;MM363025;CNCCOCC(N)CO;AYIHCJKCHFFYLC-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363026;MM363026;NCCOC=CC(N)CN;SYFUDHGTMWOHHE-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363027;MM363027;CNCCOCC(N)CF;VEFVVGJWRVNPQO-UHFFFAOYSA-N;150.2;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363028;MM363028;NC(C=COCCO)CO;IMDLAIMMMIOPTN-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363029;MM363029;CNCCOCC(O)CO;DSOFPHUTYFKPMI-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363030;MM363030;NCCOC=CC(N)CF;XTVGPEFSRIPZRM-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363031;MM363031;NC(C=COCCO)CF;YVDUFWBNYZRNKQ-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363032;MM363032;CNCCOCC(O)CF;RMYTWAUZSJRMRW-UHFFFAOYSA-N;151.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363033;MM363033;CCCOC=CC(O)CO;PHMMMVRGYAMEAO-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363034;MM363034;CNCCOCC(F)CO;KHSCFDPNLLZUJW-UHFFFAOYSA-N;151.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363035;MM363035;NCCOC=CC(O)CO;KUKLQECCFPIWIA-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363036;MM363036;CCC(N)COCCOC;ZAYKMLLNJCLEPN-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363037;MM363037;NCCOC=CC(O)CF;FGFWMAKYZDWBEP-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363038;MM363038;COCCOCC(N)CO;WLTRJYWZMWJELG-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363039;MM363039;NCCOC=CC(F)CN;PLFXNTMKHZBGOG-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363040;MM363040;COCCOCC(O)CN;DRLIOHVXDBLHQM-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363041;MM363041;NCC(F)C=COCCO;GYOKDNFZOBUSKE-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363042;MM363042;COCCOCC(O)CO;MTVRYEOLUOHZHC-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363043;MM363043;NCCOC=CC(F)CO;NIMBFJPEAWRSPH-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363044;MM363044;COCCOCC(O)CF;XPHVNTRVULKONR-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363045;MM363045;COCOC=CC(C)CN;TWJYUDOWOHEASC-UHFFFAOYSA-N;145.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363046;MM363046;COCCOCC(F)CN;UYPPZGSVQFBPBO-UHFFFAOYSA-N;151.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363047;MM363047;COCOC=CC(C)CO;OJQOMWXVKFOYMB-UHFFFAOYSA-N;146.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363048;MM363048;COCCOCC(F)CO;SUFXLWWCPSYWBG-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363049;MM363049;COCOC=CC(N)CO;QONFAEXLDRIVIA-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363050;MM363050;CCOCOCC(C)CN;LDDJGFFRJZPCBP-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363051;MM363051;COCOC=CC(N)CF;LSRAZXGDMWHWRM-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363052;MM363052;CCOCOCC(N)CO;ULGSQQSXRVSUPK-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363053;MM363053;CCC(O)C=COCOC;GDNVNGWXGJRZOE-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363054;MM363054;CCOCOCC(N)CF;YAQYNWIPHIYPTM-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363055;MM363055;COCOC=CC(F)CN;QHLOJWXCLQTKKD-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363056;MM363056;CCOCOCC(O)CN;ZEVBCUZSSLISLC-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363057;MM363057;CCCOC=CC(C)NC;AMNDTFHECALYJN-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363058;MM363058;CCOCOCC(O)CO;DYKYOHGSHDPXKM-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363059;MM363059;CNC(C)C=COCCN;IDDGKXBFNCLWNT-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363060;MM363060;CCOCOCC(O)CF;GKKAOYVKSCRQEV-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363061;MM363061;CNC(C)C=COCCO;DPFMGSSFEILGFS-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363062;MM363062;CCOCOCC(F)CN;KKNXMOTXOZYNJR-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363063;MM363063;CCCNN=CC(C)CC;KYMLRSAWDSNQIB-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363064;MM363064;CCOCOCC(F)CO;GYZHUQPYCHNUIQ-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363065;MM363065;CCC(C)C=NNCCN;UYQVAAHWRRCODX-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363066;MM363066;CNC(C)COCCCF;IGKAYDYXQRITEQ-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363067;MM363067;CCCNN=CC(C)CN;NOCVIPXPIYTNOZ-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363068;MM363068;CNCCOCC(C)NC;YIYZMBONDMVISH-UHFFFAOYSA-N;146.23;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363069;MM363069;CC(C=NNCCN)CN;QJRFNJQLMXTMFY-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363070;MM363070;CCOCOCC(C)NC;BTRHTNRFWIZDCE-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363071;MM363071;CC(C=NNCCO)CN;NQGKQZDBCVXEJY-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363072;MM363072;CCC(C)NCCCCN;YMUKFPITBPXIQC-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363073;MM363073;CC(C=NNCCN)CO;RXKPYZROWQSFPZ-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363074;MM363074;CCC(C)NCCCCF;NYJDYTLCAUBNEI-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363075;MM363075;CCCNN=CC(C)CF;GBKXBRACVMDRFK-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363076;MM363076;CCCCCNC(C)CN;VCPGTOXGFNNAKQ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363077;MM363077;CC(C=NNCCN)CF;QDAXAMZBJGVOPA-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363078;MM363078;CC(CN)NCCCCF;QGTVHRIHOGTSAJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363079;MM363079;CCCNN=CC(N)CC;YGGJIRQHGDNBLE-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363080;MM363080;CCCCCNC(C)CF;IHMKBOHNMXXNNO-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363081;MM363081;NCCNN=CC(N)CN;ACKOVBKSSNPMQB-UHFFFAOYSA-N;145.21;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363082;MM363082;CC(CF)NCCCCF;YEOWXPIOVHPNQW-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363083;MM363083;C=CC(O)CC1CC1;DNAYTGGRRCFBMB-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363084;MM363084;CCC(C)NCCCNC;DTFURJXCALEPFG-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363085;MM363085;NCCNN=CC(O)CN;PINCISCLZSMCPY-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363086;MM363086;COCCCNC(C)CN;RGIXDOZFFIOWQO-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363087;MM363087;COCC(=O)C1CN1;FWOKTNMSRUTJTA-UHFFFAOYSA-N;115.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363088;MM363088;CCNCCNC(C)CC;VXXAQVYRFUHUBC-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363089;MM363089;C=C(C(C)O)C1CC1;CXNOVDKOTLTHDB-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363090;MM363090;CCOCCNC(C)CO;GIQDTSHFLZTREW-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363091;MM363091;NCC(F)C=NNCCF;FGVLBVDEAQXCMD-UHFFFAOYSA-N;151.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363092;MM363092;CC(CN)OCCCCO;UTQSHNBLIDAODA-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363093;MM363093;NC(C(F)F)C(F)(F)F;VRHNKJFSXIXUOT-UHFFFAOYSA-N;149.06;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363094;MM363094;CCCCCOC(C)CF;TZELJKWYYSYDBW-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363095;MM363095;CCCNN=CC(C)OC;GYYJQKRCHQWYNB-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363096;MM363096;CCNCCOC(C)CO;ITTACHKJFROJOS-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363097;MM363097;COC(C)C=NNCCN;DIQPLOPESBHKHS-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363098;MM363098;CCOCCOC(C)CC;BHHBMKKNPHWRIK-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363099;MM363099;CCC(C)C=NOCCN;SZEGKUYTRLIIDF-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363100;MM363100;C=CC=CC(C)(O)C=C;UDSVUYJTAACTJS-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363101;MM363101;CCNCCOC(C)OC;RHWGDZVQSHUMKC-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363102;MM363102;CC(C=NOCCF)CN;VPXWMWXQKMBSCK-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363103;MM363103;CCOCCOC(C)OC;QFEAPMNRIJNZFV-UHFFFAOYSA-N;148.2;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363104;MM363104;CC(=O)C1NC1(C)CF;VMOUMUFBVHRZDD-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363105;MM363105;CC(CO)OCOCCO;OYCMTJGCWXDCIJ-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363106;MM363106;COCOCOC(C)CN;ZCQAIOFZTFIQJX-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363107;MM363107;CC(C=NOCCN)CF;YDCMWXMABVEAHZ-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363108;MM363108;COCOCOC(C)CO;SDSMKJSAZAGYOU-UHFFFAOYSA-N;150.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363109;MM363109;C=CC(C)(C)C1CC1O;NTNWGCFFDXHVGW-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363110;MM363110;CCN(C)CCCCCF;UIDGAEXGPNOQFN-UHFFFAOYSA-N;147.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363111;MM363111;CCCON=CC(N)CC;CTXSXBQEKZWJLM-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363112;MM363112;CCN(C)CCCCNC;XADARNMENDNEPD-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363113;MM363113;CCC(N)C=NOCCN;KMYKBXLBWJBXNR-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363114;MM363114;CCNCCCN(C)CC;ANYZOAFGZSOFNZ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363115;MM363115;CCCON=CC(N)CN;WPQTWQABVCWVDJ-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363116;MM363116;CCOCCCN(C)CC;LGTSEOLVAHHCNQ-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363117;MM363117;CCCON=CC(N)CO;VKJNTEPXGJIFBQ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363118;MM363118;CCCNCCN(C)CC;KFGQZJDFMKOSDF-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363119;MM363119;NC(C=NOCCO)CO;HFDJRHBQTYTYSP-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363120;MM363120;CCN(C)CCOCOC;GCIXGASQWYJLIS-UHFFFAOYSA-N;147.22;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363121;MM363121;CCCON=CC(O)CN;PVUAFJXFOJEREB-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363122;MM363122;C=CCCCCC(C)CC;ZZYJKJGZMBFFBO-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363123;MM363123;NCC(O)C=NOCCO;LOEGEAUTFWJWQL-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363124;MM363124;CCC(C)CCCCC#N;SBWUTDAAHYBNLR-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363125;MM363125;NCCON=CC(O)CO;OGGYBJWDUNVRIJ-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363126;MM363126;OCC1C=CC(F)(F)CC1;YXPISTYJHSCFIA-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363127;MM363127;C=CCCC1(C)CC1O;JOTFOJNTTRMLBN-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363128;MM363128;C=CCCCCC(N)CC;ZGBMYZLFFQELIW-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363129;MM363129;CC(O)C1CC(C#N)C1;WXOQTPIAYSMWCH-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363130;MM363130;C=CCCCCC(N)CN;SSIYUWIMALTVCQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363131;MM363131;C=CC1=CC(=C)C(O)C1;HNFHNUXOTJEBBH-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363132;MM363132;C=CCCCCC(N)CO;RCWLUKHCTDXNJC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363133;MM363133;CCCON=CC(F)CC;VJQMDQFGPXQLGF-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363134;MM363134;C=CC1(C)CC(CO)C1C;IBYGZSLGQDIJDG-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363135;MM363135;CCCON=CC(F)CN;AASMTZJKSDBCSG-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363136;MM363136;CCC1(C)CC1C(C)CO;SFQPWXUCJDVIJH-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363137;MM363137;O=CC12CC(=O)CN1C2;ZFFVJTZHLWATDR-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363138;MM363138;C=CCCCCC(O)CN;XDPQPQVBIWIHCV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363139;MM363139;NNc1n[nH]c(N)c1N;DTWAQGOSUVZYBU-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363140;MM363140;C=CCCCCC(O)CO;UXGHWJFURBQKCJ-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363141;MM363141;C=CCCC1C(C)C1O;GVNFHBGPWZZKQY-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363142;MM363142;C=CCCCCC(O)CF;ULSSBWCRQDXPBT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363143;MM363143;CCC(N)C=NOCOC;CLZGEHJSEBJGPY-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363144;MM363144;N#CCCCCC(O)CF;SKTNVAAURKOLIK-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363145;MM363145;COCON=CC(N)CO;XBIKCTQNZVDPKI-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363146;MM363146;C=CCCCCC(F)CN;XZLOLZUDZRBRSA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363147;MM363147;COCON=CC(O)CN;RIJNLXJOJICCGR-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363148;MM363148;CCC(O)CCCNC=N;NCHUVBYLKSNJCT-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363149;MM363149;CCCON=CC(C)NC;JCRSPYXLIPKKBN-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363150;MM363150;O=CNCCCC(O)CF;HVQFINVJHOQRKD-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363151;MM363151;CNC(C)C=NOCCN;YRPNOHCPWKPDHW-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363152;MM363152;CC(CO)C1CC1(C)CO;AXORFCWEORHAIK-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363153;MM363153;CNC(C)C=NOCCF;QYOJRAOIYJIUGB-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363154;MM363154;CCC1(C)CCC(CO)C1;VSCFVWNJAHLSOX-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363155;MM363155;COC(C)C=NOCCN;XNJCYDKMHZXVAW-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363156;MM363156;CC(CN)CCCOC=O;CDRKLFCSNUQXBM-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363157;MM363157;COC(C)C=NOCCF;AYQQUILFNGSKMB-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363158;MM363158;CC(CF)CCCOC=O;PNWCVBMQKQDUPK-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363159;MM363159;CCCCN=CN(C)CC;LJIIOUWAUYWGLT-UHFFFAOYSA-N;142.25;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363160;MM363160;CCC(N)CCCOC=O;UERAEEVNKMIURT-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363161;MM363161;CCN(N)C=NCCCO;NEELDABDXIXAIW-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363162;MM363162;C=COCCCC(N)CN;AIPTZZNNQACYGW-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363163;MM363163;CCN(N)C=NCCNC;LLVFOBYTOWUWPM-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363164;MM363164;NC(CF)CCCOC=O;FUMGSBTWASRPBY-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363165;MM363165;CCN(N)C=NCCOC;VKKGEAXFPSUUDC-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363166;MM363166;C=COCCCC(O)CC;JVZHCPXUIHBTBU-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363167;MM363167;CNN(C)C=NCCCN;FZAHFRICSHKAMJ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363168;MM363168;CCC(F)CCCOC=O;CWCBCNZSAAPDCI-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363169;MM363169;CNN(C)C=NCCCO;KLCRDXMBQYNSTI-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363170;MM363170;NCC(F)CCCOC=O;HVHIFXFPOYCOJO-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363171;MM363171;CNN(C)C=NCCCF;VNMTXMVDPMRIPT-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363172;MM363172;O=COCCCC(F)CF;OUCQAQDEFCDCKV-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363173;MM363173;CON(C)C=NCCCN;PCCGTPPJLSASTC-UHFFFAOYSA-N;145.21;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363174;MM363174;C=CCCCCC(C)NC;LUUGZKAIZJQVCG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363175;MM363175;CCCNN=CN(C)CC;NVGGFPUDAOHPTL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363176;MM363176;CNC(C)CCCCC#N;ZOAPLTLATFAILE-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363177;MM363177;CCCON=CN(N)CC;SWWYUHPGBKSLQE-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363178;MM363178;CNC(C)CCCNC=N;CHZVDFIDYFVBHY-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363179;MM363179;CCN(N)C=NOCCF;UKCGEMPAFHQCKZ-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363180;MM363180;C=NNCCCC(C)NC;RQAVCVIHKVWQIY-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363181;MM363181;CCCON=CN(C)OC;MRLGIXIQFYNYLC-UHFFFAOYSA-N;146.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363182;MM363182;CNC(C)CCCOC=O;GKECFSHXOXYSDK-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363183;MM363183;CCCCC=NN(C)CC;WFPTVMBPVAVXQU-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363184;MM363184;C=CCCCCC(C)OC;SKCHVLJXDKXCLT-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363185;MM363185;CCN(C)N=CCCCF;YCFYEBOHQUPIPM-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363186;MM363186;COC(C)CCCCC#N;PHLYRTUTMPFUSD-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363187;MM363187;CCOCC=NN(C)CC;PBFLMEPEPNGENP-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363188;MM363188;COC(C)CCCNC=N;HMOQGYBWPOLPMV-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363189;MM363189;CC1(CO)CCC(CO)C1;STQBPIYTEDZEAF-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363190;MM363190;C=CCCC=CC(C)CC;PMJXIQCIUFLECT-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363191;MM363191;C=CCNCCC(C)CC;RZUCNCIBUTZQMF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363192;MM363192;CCC(C)C=CCCC=O;QXFRQVJAXSOMFC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363193;MM363193;CCC(C)CCNCC=O;ZEYKFDZNFXPXRL-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363194;MM363194;CCC(C)C=CCCC#N;ICXPPRFXTNGTPH-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363195;MM363195;CCC(C)CCNCC#N;WYFHPFFJYMJUOG-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363196;MM363196;C=CCCC=CC(C)CN;SURMEGQSDRRPEN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363197;MM363197;C=CCNCCC(C)CN;BIIIKWVQADYNHG-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363198;MM363198;C#CC(=C)C=CC(C)(C)O;BCIZLJSRRHYUMA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363199;MM363199;CC1(CF)CCC(CO)C1;MWEGFDJFDZPDGD-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363200;MM363200;CC(C=CCCC=O)CF;SRIGHEMGDTWPCY-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363201;MM363201;C=CCNCCC(C)CF;ZPKMPGIMAHZQOP-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363202;MM363202;C=CCCC=CC(N)CC;WYONMHYSNCRGJU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363203;MM363203;C=CCNCCC(N)CC;MCUMFVNCMHOAJX-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363204;MM363204;C=CCCC=CC(N)CN;MIFJNTFTDZOZNK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363205;MM363205;C=CCNCCC(N)CN;XTIJAZYGJXYZOV-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363206;MM363206;C=CCCC=CC(N)CO;NELIGBLANNVQOA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363207;MM363207;C=CCNCCC(O)CN;SARAOWHMLCSGGJ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363208;MM363208;C=CCCC=CC(N)CF;GAPSWVCOFYWWEI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363209;MM363209;C=CCNCCC(O)CF;VZINRGQHUKUPBN-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363210;MM363210;CC(C)(O)CC#CCC=O;WABTZNDQJUMCJU-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363211;MM363211;C=CCNCCC(F)CN;HLDHKUFBQRSALH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363212;MM363212;CC=CC#CCC(C)(C)O;FWQACEXISFMFMM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363213;MM363213;C=CCNCCC(F)CO;CNKFYACDHLRGOE-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363214;MM363214;C=CCCC=CC(O)CN;MXUJVKMKZMKCML-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363215;MM363215;C=CCNCCC(F)CF;JKQJMJQZJMJCME-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363216;MM363216;C=CCCC=CC(O)CO;CRQUQZFGQSTZTA-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363217;MM363217;N#CCNCCC(F)CF;DZZVUNYJPAKTRT-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363218;MM363218;CCC(F)C=CCCC#N;HATQKBBUYMKPPT-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363219;MM363219;CCC(C)CCNNC=N;GKAROQPTMKRQAZ-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363220;MM363220;C=CCCC=CC(F)CN;IHHHVDVRGSBCDP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363221;MM363221;C=NN(C)CC(C=O)CC;PXFAANYWGOGAJR-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363222;MM363222;O=CCCC=CC(F)CF;FSJTYGUJYIJGEI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363223;MM363223;CC(CN)CCNNC=O;OONSALOJLZHJBR-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363224;MM363224;N#CCCC=CC(F)CF;IBQJTMYFGGQIGH-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363225;MM363225;CC(CO)CCNNC=N;CMFZIJHRZWXOIW-UHFFFAOYSA-N;145.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363226;MM363226;CCC(C)C=CCNC=N;NRYFWUOZBQPPDB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363227;MM363227;C=CC(C)=CC(C=C)CO;LWQVETXMBNBVFD-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363228;MM363228;CC(C=CCNC=N)CN;NVSWZLMKYACYSQ-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363229;MM363229;CCC(N)CCNNC=N;XDHJMSOGDPSKTG-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363230;MM363230;CC(C=CCNC=N)CO;MGORMDOKJPTLKU-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363231;MM363231;CCC(N)CCNNC=O;JFSPQGQVUXQCEU-UHFFFAOYSA-N;145.21;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363232;MM363232;CCC(O)C=CCNC=O;OGOFPYCTUPMSOK-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363233;MM363233;CCC(O)CCNNC=N;FOUGFEHZIVGLGZ-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363234;MM363234;N=CNCC=CC(O)CN;DURPUPRNZJHEOB-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363235;MM363235;C=CC(C=C(C)C=O)CO;RGZUMRYWEWRGOL-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363236;MM363236;O=CNCC=CC(O)CO;NHMWSDSTHZUSQA-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363237;MM363237;C#CC1(CO)C=CC(C)=C1;CTVDSZODDSCXLZ-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363238;MM363238;O=CNCC=CC(F)CF;JEMSHDWVPZRNER-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363239;MM363239;C=CCNCCC(C)NC;CIFVEEMBMQFOJT-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363240;MM363240;C=NNCC=CC(C)CF;MRXAHFIKHMKORT-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363241;MM363241;CNC(C)CCNCC#N;PXDLHCUORNVVHC-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363242;MM363242;C=NNCC=CC(N)CN;OFRVOEIGDYUUDE-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363243;MM363243;CNC(C)CCNNC=O;LNILAZMHESGBPZ-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363244;MM363244;C=COCC=CC(O)CF;JWHYWLFXUCRFIC-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363245;MM363245;C=CCNCCC(C)OC;SAROOMZXYVFUIQ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363246;MM363246;O=COCC=CC(O)CF;SVGRPEVOFDDCAZ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363247;MM363247;COC(C)CCNCC=O;MVSKVWMHDFUDCS-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363248;MM363248;C=COCC=CC(F)CO;RMHKMNAIXXVCGH-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363249;MM363249;COC(C)CCNNC=N;TVBASGJTZGUKBA-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363250;MM363250;C=CCCC=CC(C)NC;JQSWUAQLFOZMRY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363251;MM363251;C=CCOCCC(C)CC;QNCUAXFMRNHPNT-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363252;MM363252;CNC(C)C=CCCC=O;ZDYMEMWTEOVLGV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363253;MM363253;CCC(C)CCOCC=O;VKGOACQSLRZKHB-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363254;MM363254;COC(C)C=CCCC=O;YCBSSFXQLBMRRL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363255;MM363255;C=CCOCCC(C)CN;DPAYCRMFIWKTPX-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363256;MM363256;COC(C)C=CCCC#N;VPBJWCHXIOWYBH-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363257;MM363257;C=CCOCCC(C)CO;NBFFJUBLMVGICW-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363258;MM363258;COC(C)C=CCNC=N;VRLQNSJATIOTJF-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363259;MM363259;CC(CO)CCOCC#N;WRZDSRICKSWDDI-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363260;MM363260;C=CCOC=CC(C)CC;JAVVLVNCZSGTRZ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363261;MM363261;C=CCOCCC(C)CF;FDRXQIGSFWSSKV-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363262;MM363262;CC(C=COCC#N)CO;ZTFIZDLLKFHYSY-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363263;MM363263;C=CCOCCC(N)CC;ZYBWPLWGQDFQRB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363264;MM363264;CCC(O)C=COCC#N;VPSFKPDGUGOFSC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363265;MM363265;C=CCOCCC(N)CN;YJYVCEGBODJNIW-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363266;MM363266;O=CCOC=CC(O)CO;OXXVAHWYAWFDCR-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363267;MM363267;C=CCOCCC(N)CO;UKPPBKIZXURVQF-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363268;MM363268;N#CCOC=CC(O)CO;WZEMIKGKZVWFIL-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363269;MM363269;C=CCOCCC(N)CF;RGHNLGHAWFZRHR-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363270;MM363270;O=CCOC=CC(O)CF;DTDSUXQHMMGLHK-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363271;MM363271;C=CCOCCC(O)CC;KKXSUYNYMLSPSG-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363272;MM363272;O=CCOC=CC(F)CO;UYTMPGPTQZNKKG-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363273;MM363273;CCC(O)CCOCC#N;GSFWPDVGMJCFGW-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363274;MM363274;C=CCOC=CC(C)NC;VBJZQQFGPUMIOR-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363275;MM363275;C=CCOCCC(O)CN;ZVNOZTNBVAABGU-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363276;MM363276;COC(C)C=COCC#N;YTPPJENKQDMNQX-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363277;MM363277;C=CCOCCC(O)CO;QEGAMCUIRYNLMX-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363278;MM363278;C=CCNN=CC(C)CC;XEOJANYKQPSKHJ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363279;MM363279;N#CCOCCC(O)CO;LRCKESTUTDUJLA-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363280;MM363280;C=CC(C)(O)C=CC=CC;MKDNYRXLPOVSIC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363281;MM363281;N#CCOCCC(O)CF;BSQFWHHWTWANTA-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363282;MM363282;C=CCNN=CC(C)CN;IAMDPXXSROVNPT-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363283;MM363283;C=CCNN=CC(C)CF;BAAPJWHOWBYKKQ-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363284;MM363284;C=CCOCCC(F)CC;OCIZAHNCANTQAF-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363285;MM363285;C=CCNN=CC(N)CC;LWEPJSZKNUBMIE-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363286;MM363286;C=CCOCCC(F)CN;DPBUZMITOZSVCF-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363287;MM363287;C=CCNN=CC(N)CN;XMSGBLLJXRKELS-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363288;MM363288;N#CCOCCC(F)CO;HUUGMPJOOYWEEI-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363289;MM363289;C=CC(C)(O)C=CC=CF;DORJZGVPSISPAK-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363290;MM363290;C=CCOCCC(F)CF;BKHOBMCNZAJTBA-UHFFFAOYSA-N;150.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363291;MM363291;C=C(C)C(=C)C(=C)C(C)O;OMEDQRIXZJIVIV-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363292;MM363292;CC(CN)CCONC=N;ATWQVUFJZRLBQN-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363293;MM363293;C=C(C)CCC1(C)CC1O;IYGNPQDWHNIVOU-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363294;MM363294;CC(CO)CCONC=O;HNZUBOYRKRBUKH-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363295;MM363295;CC(=O)CCC1(C)CC1O;BIKZFYMCGAJLHV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363296;MM363296;CC(CF)CCONC=O;DKRIYIGMJWHXMO-UHFFFAOYSA-N;149.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363297;MM363297;C=CCNN=CC(C)OC;ORVRPYOHEXDOHE-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363298;MM363298;CCC(N)CCONC=N;PUIQHPJWAZDJQR-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363299;MM363299;C=CCON=CC(C)CC;RDFOFLPMCURIKC-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363300;MM363300;CCC(O)CCONC=N;DUSNAOWATJRXAI-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363301;MM363301;CC#CCNN=CC(C)=O;VAQIHXNIGNIQDM-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363302;MM363302;CCC(O)CCONC=O;BBYGJRIXWXXRIR-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363303;MM363303;CC=CCCC1(C)CC1O;UAIXFTVCVDSHRF-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363304;MM363304;N=CNOCCC(F)CF;XYNOWVKGWRIWGJ-UHFFFAOYSA-N;152.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363305;MM363305;C=CCON=CC(N)CC;GAIXWXRDSSDHFV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363306;MM363306;C=CCOCCC(C)NC;LDESCURQWIPHKY-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363307;MM363307;C=CCON=CC(N)CN;GSOYVMYUAWXDDU-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363308;MM363308;CNC(C)CCONC=O;HSKIOBYRSIIXME-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363309;MM363309;CC1(CCC=CF)CC1O;DLOCNTUZFYXCBM-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363310;MM363310;C=CCOCCC(C)OC;PVFRNDMVWMTTRW-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363311;MM363311;CC1(CCC=NN)CC1O;MDRIQKZVFXCFDQ-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363312;MM363312;COC(C)CCOCC#N;TVXLJZKDSBOFIG-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363313;MM363313;C#CCC1=NC(=N)C(=N)N1;VGHUCXXZXWAFBE-UHFFFAOYSA-N;134.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363314;MM363314;C=CCCNCC(C)CC;JFNRDNCVYJPZLH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363315;MM363315;N#CCON=CC(O)CF;AODGCUVXGZFGAJ-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363316;MM363316;C=CCCNCC(C)CO;NZRLOCLQFNVZQG-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363317;MM363317;C=CCON=CC(F)CC;SGWMTTNLGCNBNB-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363318;MM363318;C=CCCNCC(C)CF;HQOIKHISMWIWOI-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363319;MM363319;C=CCON=CC(F)CN;NZRVVPGCGCLQPJ-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363320;MM363320;CC(CF)CNCCC=O;VUSZNQAUBYPOBC-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363321;MM363321;C=C1C=C(C=CC)CC1O;ILKDMLCTQPKIFC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363322;MM363322;C=CCCNCC(N)CC;CSDIKPCOZNANKD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363323;MM363323;C#CC(=C)CC(CC)CO;RFXYHJCALAVCAE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363324;MM363324;C=CCCNCC(N)CN;BQAJFBWKLJYJBW-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363325;MM363325;CC(=O)ON=C(CF)NN;ATPDXULOCOUQPI-UHFFFAOYSA-N;149.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363326;MM363326;C=CCCNCC(N)CO;GBATXUABZQDFOX-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363327;MM363327;C=CCON=CC(C)NC;ZMWWYUPRPUYYKL-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363328;MM363328;C=CCCNCC(O)CC;WNTYRGIGGKTKJL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363329;MM363329;C=CCCN=CN(C)CC;LKNGHDNKCDRDTP-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363330;MM363330;C=CCCNCC(O)CN;SFOWDSQYIASQTH-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363331;MM363331;CCN(C)C=NCCC=O;HDKUSTYQYVSIDO-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363332;MM363332;C=CCCNCC(F)CC;UCXUDEUVJVWEOU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363333;MM363333;C=CCCN=CN(N)CC;BPGRQJOWFXLFLE-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363334;MM363334;CCC1(CCC(C)O)CC1;FBZIRYLGBLVIJX-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363335;MM363335;C=CCNN=CN(C)CC;YEEWPPPOUQHSOZ-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363336;MM363336;C=CCCNCC(F)CF;MGCGTWAVNWMDTG-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363337;MM363337;CCN(C)C=NNCC=O;OEHJXYVBEWJNKD-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363338;MM363338;C=CC(=O)COC=NN=C;SBMWIAWJRHJENE-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363339;MM363339;C=CCCNCC(C)NC;ABINJGSRVOYSJP-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363340;MM363340;C#CC=NOCC(=O)C=C;YLTWOWHXUAMVFF-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363341;MM363341;CNC(C)CNCCC=O;UQZPPJJYQQAESM-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363342;MM363342;CC1C(CC#N)C1(C)CO;KJOPPGIEDHQKDM-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363343;MM363343;CNC(C)CNCCC#N;XPBNRBWHDHYGMK-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363344;MM363344;CON(C)C=NOCC#N;IVENXMPWLJGHDL-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363345;MM363345;C=CCCNCC(C)OC;KDNOJGBLGOBJKC-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363346;MM363346;CCOC(=NNC=N)NC;UMWZNDDFEDXEDB-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363347;MM363347;C=CCCOCC(C)CN;AMQQLUBMPKRLMH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363348;MM363348;C#CCCC=CC(C)CN;AFCGLRKXESRDNK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363349;MM363349;C=CCCOCC(N)CN;AJYLARUWGXONSZ-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363350;MM363350;C#CCCC=CC(C)CF;CAYSYXLKGIEQQS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363351;MM363351;C=CCCOCC(N)CF;YIQSZRSDKHGBGE-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363352;MM363352;C#CCCC=CC(N)CC;AYYWNPVVOYEAIN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363353;MM363353;CCC(O)COCCC#N;VZJJXUBSYIBNNS-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363354;MM363354;CC#CCCC(CC)CO;ZPHMMEXHMVKNMD-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363355;MM363355;C=CCCOCC(O)CN;YBFXBJVEFCIILC-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363356;MM363356;C#CCCC=CC(O)CF;DVXNKBSONZOKRZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363357;MM363357;N#CCCOCC(O)CO;KGDWESXNUZVRQR-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363358;MM363358;C#CCCC=CC(F)CC;BRYBPNIUOSRABN-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363359;MM363359;N#CCCOCC(O)CF;KMVYCTFHSGLCMK-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363360;MM363360;C#CCCC=CC(F)CN;LVGXDUHAEKUICK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363361;MM363361;CCC(F)COCCC=O;VIVAGHZZVWHOQW-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363362;MM363362;C#CCCC=CC(F)CF;LIXXBHHTCKPGQF-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363363;MM363363;N#CCCOCC(F)CO;IPQLZTNKBRFOGQ-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363364;MM363364;C#CCCC=CC(C)NC;MXQLLBCAPRMDFG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363365;MM363365;N#CCCOCC(F)CF;SUCYZQNADFATRH-UHFFFAOYSA-N;149.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363366;MM363366;C#CCOC=CC(C)CC;VQPMUUSJJJQRSR-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363367;MM363367;C=COCOCC(C)CO;RVXMRUZLCZAHFB-UHFFFAOYSA-N;146.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363368;MM363368;C#CCOC=CC(C)CN;RFULUBFPKGHAMQ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363369;MM363369;C=COCOCC(N)CO;LGYYWUIFOSJVKE-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363370;MM363370;C#CCOC=CC(C)CF;PLLVYQJHFYVOHH-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363371;MM363371;C=COCOCC(N)CF;ARYPBRVBLRUMFR-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363372;MM363372;C#CCOC=CC(N)CC;BFBDMBWJKYFCGI-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363373;MM363373;CCC(O)COCOC=O;IUYYAGAPBYFRDG-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363374;MM363374;C#CCOC=CC(N)CO;HPIIOAFNPWLRKQ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363375;MM363375;C=COCOCC(O)CN;GNEPASCSOCGNBH-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363376;MM363376;C#CCOC=CC(O)CN;VMFSGJPBHYFUMI-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363377;MM363377;O=COCOCC(O)CO;IFSCDXNCJIOHPV-UHFFFAOYSA-N;150.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363378;MM363378;C#CCOC=CC(F)CF;QFSRTFXZTJXUIS-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363379;MM363379;C=COCOCC(O)CF;VRFJCGNZXDHKJX-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363380;MM363380;C#CCOC=CC(C)NC;ASEUDXQYXJDHCE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363381;MM363381;O=COCOCC(O)CF;AVCCYLDDCMKTEL-UHFFFAOYSA-N;152.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363382;MM363382;C#CC(C=C)NN=CC=O;LUTCOUFEUQAIQL-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363383;MM363383;O=COCOCC(F)CO;GVLMDFPSZBSROX-UHFFFAOYSA-N;152.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363384;MM363384;C#CCNN=CC(C)CN;WYPQWERNHUYJPT-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363385;MM363385;C=COCOCC(F)CF;CHNJNSYABZKVEB-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363386;MM363386;C#CCNN=CC(N)CC;GXNPAMFOOMHMMP-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363387;MM363387;C=NOCOCC(N)CC;ZQWQPYMAYJJNSB-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363388;MM363388;CCC1(CO)CC1CC=O;GQBNBGXVIJABKI-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363389;MM363389;C=NOCOCC(N)CO;GODQCPQNCXTGTE-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363390;MM363390;C=C1CC(CO)CCC1F;SAOIFTFLYHWGEU-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363391;MM363391;C=NOCOCC(N)CF;CUWHUBJEVJOAJE-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363392;MM363392;C#CCON=CC(N)CC;QIIUNGWMVMSHQO-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363393;MM363393;C=NOCOCC(O)CN;UVQDVUPQUYWXNP-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363394;MM363394;C=NN1CC1C(C=O)OC;OHNPHBVAWFDYBR-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363395;MM363395;C=CCCOCC(C)NC;KJXUWHWWIHTXSV-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363396;MM363396;C#CCON=CC(C)OC;BQJOQEMQODYUGL-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363397;MM363397;CCC(C)NCCCC=O;NNEFHSQQCRPREA-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363398;MM363398;C#CCCN=CN(C)CC;QPFOFEARBDVNLV-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363399;MM363399;CCC(C)NCCCC#N;ITFUXPJQBCUEBQ-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363400;MM363400;C#CCCN=CN(N)CC;NSDJVYAPGWUVRU-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363401;MM363401;C=CCCCNC(C)CN;AFDRETAJJYXHFH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363402;MM363402;C#CCCC=NN(C)CC;RSSDRLCICSNOBG-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363403;MM363403;C=CCCCNC(C)CO;MNILPGRLGMHXRF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363404;MM363404;C#CCOC=NN(C)CC;VNUQLYIGRUUSDY-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363405;MM363405;C=CCCCNC(C)CF;AELGTKUCYICBLY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363406;MM363406;C=CC(C)C=CCCCC;MQTIHGLJXYARQS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363407;MM363407;C=NNCCNC(C)CC;UQSVPPYFDXTYFM-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363408;MM363408;CC=CCCC1C(C)C1O;NKCSWDAAJRVFKB-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363409;MM363409;C=COCCNC(C)CN;YZUPNJXDGVGSQV-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363410;MM363410;C=NOCCC#CCC=O;ADIMLNFOIAKDSV-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363411;MM363411;C=COCCNC(C)CO;OLSATDPAPNXTKR-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363412;MM363412;CC(C=O)C=CCCCF;YVZKTPVLKFBEKA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363413;MM363413;C=CCCCOC(C)CC;PXCKLPSLTMBIBP-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363414;MM363414;CC(C#N)C=CCCCF;LDYZXLSAUIVPKS-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363415;MM363415;CCC(C)OCCCC#N;SIAHSOVHDNAFTF-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363416;MM363416;C=CC(N)C=CCCCC;ZJCJUFNYTWKLRO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363417;MM363417;C=NNCCOC(C)CN;JVRYDHWLOWEQNJ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363418;MM363418;C=CC(N)C=CCCCF;AFRGOZCOCGZKPA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363419;MM363419;C=COCCOC(C)OC;GBPNCEHHJHLGRB-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363420;MM363420;C=CC(O)C=CCCCC;YLBUZFPQHAKRPP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363421;MM363421;CCC(C)OCOCC=O;HHAPNCKRNWNWEK-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363422;MM363422;C=CC(O)C=CCCCN;BILWIRCCZHYTKS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363423;MM363423;C=CCOCOC(C)CN;SQLGWUMTMUEVFY-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363424;MM363424;C=CC(O)C=CCCCO;VVCRBVFKYUBORZ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363425;MM363425;C=CCOCOC(C)CO;RLTAXVHQZOMSQU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363426;MM363426;CCCCC=CC(O)C=O;FCCKTBPMEPVVEP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363427;MM363427;CC(CO)OCOCC#N;FQQYNDUQPOAUEJ-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363428;MM363428;CCCCC=CC(O)C#N;ZBQBABCNWNLKMB-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363429;MM363429;N#CC(O)C=CCCCF;BEANSJNDIITLQM-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363430;MM363430;CC(CN)OCONC=O;UKHBSIRFJOGNJI-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363431;MM363431;CCCCC=CC(F)C#N;JMRKRZPFRYURHB-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363432;MM363432;CC(CO)OCONC=N;YKLFIGSSGGFOGE-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363433;MM363433;OCC1CCC(=CF)CC1;UMBJLTWVPXKDFT-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363434;MM363434;CC(CO)OCONC=O;CHSYHXOUYBPRLG-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363435;MM363435;N#CC(F)C=CCCCF;LTJRBGRIQYXOMT-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363436;MM363436;C=NNCCCN(C)CC;WLBIEJSRVBYNCK-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363437;MM363437;C=CC(C)C=CCCNC;ZVBNKNPVVCJBNY-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363438;MM363438;C=CCNCCN(C)CC;BKIHSLZKJPHLAT-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363439;MM363439;C=CC(O)C=CCCNC;QJHMGFHYJFWIAS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363440;MM363440;CCN(C)CCNNC=N;LRFJTHHQBBKBOT-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363441;MM363441;CNCCC=CC(O)C=O;RNKBVEUXVSCKSL-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363442;MM363442;C=CCOCCN(C)CC;JAEMTRWSGJSDNC-UHFFFAOYSA-N;143.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363443;MM363443;CNCCC=CC(F)C#N;RARDKLJJUGLJNV-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363444;MM363444;CCN(C)CCONC=N;ZVOVTHCOCQWJBI-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363445;MM363445;C=CC(O)C=CCCOC;TXHUIXABWAGEFW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363446;MM363446;CCN(C)CCONC=O;VRDAHLUCKCTGDL-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363447;MM363447;COCCC=CC(O)C=O;PVMAZDAUASFBPL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363448;MM363448;C#CCCCCC(C)CC;ILTCNNWNFZMWTJ-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363449;MM363449;C=CC(C)C=CCNCC;ATAHAJOQSLKLKQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363450;MM363450;C#CCCCCC(C)CN;WEWQRIAPMYUJDX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363451;MM363451;C=CC(O)C=CCNCC;YYYHVMWSTFBRDZ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363452;MM363452;C#CCCCCC(N)CN;NWHWTNGFZPNBJN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363453;MM363453;CCNCC=CC(O)C=O;MKLWWUPFLBMSNE-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363454;MM363454;C#CCCCCC(N)CO;OYDQRFYFJVXIOJ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363455;MM363455;CCNCC=CC(F)C#N;HHNPTGJKSVYZKQ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363456;MM363456;C#CCCCCC(O)CN;MJZIUSMEQNLVEU-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363457;MM363457;CCOCC=CC(C)C#N;YJRANICMLWRWEY-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363458;MM363458;C#CCCCCC(O)CO;XZXVAZBSYOJRKW-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363459;MM363459;C=CC(N)C=CCOCC;BUZBBXZLBVOBIL-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363460;MM363460;C#CCCCCC(F)CN;YJNVPMRIPJTSQN-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363461;MM363461;CCOCC=CC(O)C#N;IDGIFRWCOSAGAM-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363462;MM363462;C#CCCCCC(C)NC;RJBQZNCPLPCSQE-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363463;MM363463;CCCOC=CC(C)C#N;ISNFGTZZBPADPN-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363464;MM363464;C#CCNCCC(C)CC;JYPKDQQOQWZTFF-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363465;MM363465;C=CC(N)C=COCCN;PLBZYFUKZBRUKN-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363466;MM363466;C#CCNCCC(C)CF;JOIVRGISAKEVKM-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363467;MM363467;C=CC(N)C=COCCO;ULMKCGDQMJYJLT-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363468;MM363468;C#CCNCCC(O)CN;XOBWEZVBNXHWIM-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363469;MM363469;C=CC(O)C=COCCN;DYJGARWWZIEDAY-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363470;MM363470;C#CCNCCC(F)CC;KBKSERJPWIHKHZ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363471;MM363471;C=CC(O)C=COCCF;WQPCZCWDUDHKCD-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363472;MM363472;C#CCNCCC(F)CN;BYTIPKBEKUBWDW-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363473;MM363473;CCCOC=CC(O)C#N;PDYUUERYHOHOCG-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363474;MM363474;C#CCNCCC(F)CF;IENXIZHULJUAKU-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363475;MM363475;O=CC(O)C=COCCO;MFVWVEZHPHVLFN-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363476;MM363476;C#CCOCCC(C)CC;GFJRZBPQTHVEOM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363477;MM363477;N#CC(O)C=COCCO;NQPZUMVUJNBNRR-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363478;MM363478;C#CCOCCC(C)CN;CUULQMVWSAHLCV-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363479;MM363479;O=CC(O)C=COCCF;HRYYUZZOOLSXBP-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363480;MM363480;C#CCOCCC(C)CO;ZESIQSPUQFUGCA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363481;MM363481;C=CC(F)C=COCCO;ORXWJTPWYFAGTR-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363482;MM363482;C#CCOCCC(C)CF;NOUKZVWABFEVJP-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363483;MM363483;O=CC(F)C=COCCO;GKLUURKRCBRVJS-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363484;MM363484;C#CCOCCC(N)CC;ICYHYQLRSDRPCJ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363485;MM363485;C=CC(C)C=COCOC;FUBRVRYOFLPXSX-UHFFFAOYSA-N;142.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363486;MM363486;C#CCOCCC(N)CN;VYTUTBQFWQBFGK-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363487;MM363487;COCOC=CC(C)C#N;DVHJIIPNAZTWCN-UHFFFAOYSA-N;141.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363488;MM363488;C#CCOCCC(O)CO;KDXKTDLUTQFQTF-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363489;MM363489;C=CC(F)C=COCOC;SJYLZPHUNXJYJH-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363490;MM363490;C#CCOCCC(C)NC;SWZPJLQDBGJRFU-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363491;MM363491;C=CC(C)C=NNCCN;JKHHYKHVQSIPSA-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363492;MM363492;C#CCOCCC(C)OC;JJDPZGOTEWDWEQ-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363493;MM363493;CC1CC=CC1O;SAKPIBJVRPNHLM-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363494;MM363494;C#CCCNCC(C)CF;QDJMOPDRAZEIAD-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363495;MM363495;CC1=CCCC1O;TXPJSTNMZHBTRF-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363496;MM363496;C#CCCNCC(N)CN;KUNNTFQEYWPRMA-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363497;MM363497;C=CC(N)C=NNCCN;LPWOTPBYBAJMMD-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363498;MM363498;C#CCCNCC(O)CN;YPOOMIABOOCVEU-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363499;MM363499;Cc1[nH]ncc1N;WMEWGPRHFFHUAV-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363500;MM363500;C#CCCNCC(O)CF;UFZIEBJEVUSZMK-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363501;MM363501;OCC1CC=CC1;ADLKZHGHNJBOOC-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363502;MM363502;C#CCCNCC(F)CN;OYVWBZVEXDSLMR-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363503;MM363503;N#CC(O)C=NNCCF;UCWKUAXYAHKIMN-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363504;MM363504;C#CCCOCC(N)CC;LRFSCZKEONIGNV-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363505;MM363505;C=CC(F)C=NNCCC;IXOFJTSKXRBVFH-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363506;MM363506;C#CCCOCC(N)CN;YIOVIXMXEOPBPW-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363507;MM363507;C=CC(F)C=NNCCN;CLWZTSACHIQSDK-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363508;MM363508;C#CCCOCC(N)CO;ZNSNPNRMNLFOAN-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363509;MM363509;C=C(C)CCC(C)O;RIEDLCPIEKXTTL-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363510;MM363510;C#CCCOCC(O)CC;UIDOATOVGNJZMC-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363511;MM363511;C=CC(C)C=NOCCC;TYYVQKRSSMVSDB-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363512;MM363512;C#CCCOCC(O)CO;QAAVAHTYVDQGIF-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363513;MM363513;C=CC=CCC(C)O;LIVXGUWPALMDDP-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363514;MM363514;C#CCCCNC(C)CC;URSKVUYSWQNYNB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363515;MM363515;C=CC(C)C=NOCCF;PGKFQRFSJJIIGX-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363516;MM363516;C#CCCCNC(C)CF;NZEAWGKIDFYNEE-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363517;MM363517;CC(O)CC=CC=O;OGQYNMDKSPMZAF-UHFFFAOYSA-N;114.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363518;MM363518;C#CCCCOC(C)CC;JXVVGJCCRHOUGL-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363519;MM363519;CCCON=CC(C)C#N;HFJHVZMDJKHQIM-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363520;MM363520;C#CCOCOC(C)CC;MCERAEMRMHDKQI-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363521;MM363521;C=CC(N)C=NOCCC;ZXMBZHVKOWRUHV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363522;MM363522;C#CCOCOC(C)CN;XPIMMNZBGZGUCH-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363523;MM363523;C=CC(=C)C(C)CO;ILJRUDKRUVPJQO-UHFFFAOYSA-N;112.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363524;MM363524;C#CCCCCN(C)CC;AMFRYAWBUFECCC-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363525;MM363525;C=CCC(C=C)CO;XEYSEXKESYFZOD-UHFFFAOYSA-N;112.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363526;MM363526;C#CCOCCN(C)CC;PKNCBJOTWNOIGI-UHFFFAOYSA-N;141.21;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363527;MM363527;N#CC(O)C=NOCCF;OPMXTKHNJRLGKA-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363528;MM363528;CC(O)CCC1(CO)CC1;XDDUBDSEHCHNRJ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363529;MM363529;C=CC(F)C=NOCCN;RUGTYQHXYFLMAQ-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363530;MM363530;C=CC(N)CCCCCN;DEIKGKGNSPYFLN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363531;MM363531;CNc1cnn(C)n1;WBLUSYCPJSELBQ-UHFFFAOYSA-N;112.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363532;MM363532;C=CC(N)CCCCCO;JHWKWJAXTPULMU-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363533;MM363533;C#CC1CC(O)C1C;MVUIMNBMRZHSQF-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363534;MM363534;C=CC(N)CCCCCF;PHWSYIWHIMXVFC-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363535;MM363535;C=CC(N)C=NOCOC;SWUUCXDZHIHNAH-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363536;MM363536;CC(O)CCC1(CF)CC1;UGKSCXUEALBPSJ-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363537;MM363537;C=CC#CCC(C)(C)O;YTQLGPIJCDNNMB-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363538;MM363538;C=CC(O)CCCCCN;XKQJDGLKNZBHSH-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363539;MM363539;COCON=CC(O)C=O;LVIIHXSKPJEWRR-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363540;MM363540;C#CC(=O)OC=NNC=N;XWISFPOULVRXJY-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363541;MM363541;C=CC(F)C=NOCOC;ZAAWUDNJEXLYPD-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363542;MM363542;C#CCC(C#C)C(O)C=C;ZWGPZQHDIRHISW-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363543;MM363543;CCCCC=CN(C)C=N;KKOBGCNJXZOMQD-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363544;MM363544;CCCCCCC(O)C=O;QKUACYKHLMFAGS-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363545;MM363545;O=CC(O)CCCCCO;GYZBKLPBLRVPPU-UHFFFAOYSA-N;146.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363546;MM363546;CN(C=N)C=CCCCF;SDFTXMQTNHJUAN-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363547;MM363547;C=CC(F)CCCCCF;UJLSPNIKIJYXFB-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363548;MM363548;CN(C=O)C=CCCCF;WSCJXNSYDNSTGJ-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363549;MM363549;C=CC(C)CCCCNC;QYBGASDAKAANLW-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363550;MM363550;CCCCC=CN(N)C=N;BEDVMDRCPPBONJ-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363551;MM363551;C=CC(O)CCCCNC;LTSVGUOUQLMYOB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363552;MM363552;N=CN(N)C=CCCCF;SJRVDEKUZGKAGW-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363553;MM363553;CNCCCCC(O)C#N;HOFOSCLCXHDXAR-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363554;MM363554;CCCCC=CN(N)C=O;YMXVNYHPUQFCGT-UHFFFAOYSA-N;142.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363555;MM363555;CNCCCCC(F)C#N;ARBPQJVPHDLKGJ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363556;MM363556;CCCCC=CN(O)C=N;YCTSAKZYKPKQRZ-UHFFFAOYSA-N;142.2;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363557;MM363557;C=CC(C)CCCNCC;FPJFRBUSCITFIY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363558;MM363558;CCCCC=CN(O)C=O;VJGKJCQOOGQJFF-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363559;MM363559;CCNCCCC(C)C=O;UEGKYWDLQJYLKD-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363560;MM363560;O=CN(O)C=CCCCF;VIKOUBNGBUCRPL-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363561;MM363561;C=CC(N)CCCNCC;PKLVWORJPHVGDE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363562;MM363562;CCNCC=CN(C)C=N;PNXHCIGACDFEDG-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363563;MM363563;CCOCC=CN(C)C=N;OUHPGRAEIKGINS-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363564;MM363564;C=CC(O)CCCNCC;BBQQHQFXQHJLFP-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363565;MM363565;CCOCC=CN(C)C=O;JEXSJIPSKZSABN-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363566;MM363566;CCNCCCC(O)C=O;DBFFAEZXZUFPCL-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363567;MM363567;CN(C=N)C=COCCN;VAGZVWQPPZDUKD-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363568;MM363568;CCNCCCC(O)C#N;CGBGBIOEFKBVSM-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363569;MM363569;CN(C=N)C=COCCO;ZQZXOYMKJGRQEE-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363570;MM363570;C=CC(C)CCCOCC;SRYPWDHOYYPVDK-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363571;MM363571;CCCOC=CN(C)C=O;GTNPBPZZOZXDNN-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363572;MM363572;CCOCCCC(C)C=O;QXHPXSOGILTMAT-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363573;MM363573;CN(C=O)C=COCCN;SFQXMBCVXIGEEO-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363574;MM363574;C=CC(N)CCCOCC;QPTDBUHOPSDVJV-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363575;MM363575;N=CN(N)C=COCCO;CHZJVXJWPPZPOS-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363576;MM363576;C=CC(O)CCCOCC;FYUAXEILBPJRPK-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363577;MM363577;N=CN(N)C=COCCF;SLWKTNYSFDFMSW-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363578;MM363578;CCOCCCC(O)C#N;KMLVIAFEKBFOGG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363579;MM363579;CCCOC=CN(N)C=O;NDXGOARYJYQWQJ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363580;MM363580;C=CC(C)CCNCCC;CHDQOUIVUSWHFJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363581;MM363581;N=CN(O)C=COCCN;IXHRDAWHUAIROF-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363582;MM363582;C=CC(C)CCNCCF;GBLQUCYWOVJYLZ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363583;MM363583;COCOC=CN(N)C=O;MGOJUXXKTBGPDF-UHFFFAOYSA-N;146.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363584;MM363584;CCCNCCC(C)C=O;OLQLJBLRHBRCGW-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363585;MM363585;C=CN(C)C=NCCCC;BEQRAKCGQXMMMR-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363586;MM363586;CCCNCCC(C)C#N;HRCGKWMVFWDNRJ-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363587;MM363587;CCCCN=CN(C)C=N;ICKSSRBVEMRVLP-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363588;MM363588;CC(C=O)CCNCCO;CHNDOFYGKYDKPP-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363589;MM363589;CCCCN=CN(C)C=O;HTBHZBRNBHCKCJ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363590;MM363590;CC(C#N)CCNCCO;RKXFEJJQQAHKJP-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363591;MM363591;CNCCN=CN(C)C=O;VWMRICSJCDBWEM-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363592;MM363592;C=CC(N)CCNCCC;BUSCWPUSOJLCGH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363593;MM363593;COCCN=CN(C)C=O;YMHVIXFWGUDZGN-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363594;MM363594;C=CC(N)CCNCCF;YGHMLGRSOKBFDP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363595;MM363595;C=NN(C)C=NCCNC;ZAHOBUYJZFLMQI-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363596;MM363596;C=CC(O)CCNCCC;OOWLXYSTLSYSNL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363597;MM363597;C=CN(C)C=NNCCC;VSWAMEZKWBNHRX-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363598;MM363598;C=CC(O)CCNCCN;SGWSZZYHTAZMSU-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363599;MM363599;CN(C=N)C=NNCCO;YPWAZBHHTXXJBE-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363600;MM363600;N#CC(O)CCNCCO;QMDZSOOOWNDWAW-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363601;MM363601;C=C(F)C=CCC(C)O;OJXDRDGQHMKDRO-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363602;MM363602;CCCNCCC(F)C#N;CEJUACOWOBVQRN-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363603;MM363603;CC1(O)CC(CC=O)C1;QGVSFFYMGNLLPR-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363604;MM363604;O=CC(F)CCNCCO;LAVKESDNEIEYIR-UHFFFAOYSA-N;149.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363605;MM363605;N=CN(O)C=NNCCN;GJVJOYFHBDDGJH-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363606;MM363606;C=CC(C)CCOCCC;SRUOJNXCGYSIDL-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363607;MM363607;CC1(O)CC(CC#N)C1;VONPPOIRZNNFGZ-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363608;MM363608;CC(C#N)CCOCCF;IVGFYOAYPACNBT-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363609;MM363609;C=NN(C)C=NNCCN;CTUNVRQNRVFDTO-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363610;MM363610;C=CC(O)CCOCCC;WMPHTPIXTOZLGU-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363611;MM363611;C=CN(C)C=NOCCC;VMMKJKHOPJQQRV-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363612;MM363612;CCCOCCC(O)C=O;MBKWKXVJGLODJU-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363613;MM363613;CN(C=N)C=NOCCN;VHRBGPVNQRIHTD-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363614;MM363614;CCCOCCC(O)C#N;BZIKMPAGCOLFRR-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363615;MM363615;CN(C=O)C=NOCCF;PZFGXSPXDCXFLF-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363616;MM363616;N#CC(O)CCOCCO;RUOPPQBRYGNZQA-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363617;MM363617;C=C(CC)CCC(C)O;ITWRBHNGSYHSHJ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363618;MM363618;N#CC(O)CCOCCF;UJHPKCGZDPHHGG-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363619;MM363619;CC=C(C)CCC(C)O;BAQTZFHVKJOFMI-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363620;MM363620;C=CC(F)CCOCCO;CNVYIYIYGFXXRH-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363621;MM363621;C=CN(C)C=NOCOC;BKJQBKGTQMMSNU-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363622;MM363622;N#CC(F)CCOCCO;MTRDDYBDODHKLN-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363623;MM363623;CC(=CF)CCC(C)O;JEJHOPLNMCMGCQ-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363624;MM363624;COCOCCC(C)C#N;ZFOQZRWWVOTIBR-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363625;MM363625;C=NN(C)C=NOCCN;NXLYKORCIPVRBN-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363626;MM363626;COCOCCC(O)C=O;VQJXJBGEVYCRNR-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363627;MM363627;C=NNCCC(C)C=O;ILPUCFJNRWAVLV-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363628;MM363628;COCOCCC(F)C=O;SPIWJCOTFVXSLR-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363629;MM363629;CCCCC=NN(C)C=N;RXIPYXFHHLPIRM-UHFFFAOYSA-N;141.22;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363630;MM363630;C=CC(C)CNCCCC;FXHOMMOBGDHERG-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363631;MM363631;C#CCC(C)C(C)CO;GZBKFAYYYNMIOV-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363632;MM363632;C=CC(C)CNCCCF;RHRSFUTUGAKFLK-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363633;MM363633;CCCCC=NN(C)C=O;IHTUGUQGWPOOJG-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363634;MM363634;CCCCNCC(C)C=O;IXFQJQIJHAOWQF-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363635;MM363635;CN(C=O)N=CCCCN;NOQHBBISRCNLKZ-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363636;MM363636;C=CC(N)CNCCCC;YKXGLGUNUOKBKE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363637;MM363637;CNCCC=NN(C)C=N;UVDAZRHTYCBWKK-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363638;MM363638;C=CC(O)CNCCCC;DLYSWBCKQVHAOK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363639;MM363639;CNCCC=NN(C)C=O;QARJQJSLHULHMT-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363640;MM363640;C=CC(O)CNCCCN;AXHBBHDILRZJDZ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363641;MM363641;CCNCC=NN(C)C=O;LLVMXRGJEISVHC-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363642;MM363642;O=CC(O)CNCCCF;IMNLUMJQKZTGAR-UHFFFAOYSA-N;149.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363643;MM363643;CCOCC=NN(C)C=N;LCPVFFISUGYVJA-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363644;MM363644;C=CC(F)CNCCCN;PRXFAPPWCHHFCJ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363645;MM363645;CCOCC=NN(C)C=O;WQYRGWQRANBITL-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363646;MM363646;C=CC(F)CNCCCF;DRJRTHGRMLLBAJ-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363647;MM363647;CN(C=N)N=COCCN;QFGXDILHZSDPEE-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363648;MM363648;C=CC(O)CNCCNC;UIKIZCGTKWWCKO-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363649;MM363649;CN(C=N)N=COCCF;AWIIHVRNISDYDA-UHFFFAOYSA-N;147.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363650;MM363650;CNCCNCC(O)C#N;IOMXLBWLRKFWSH-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363651;MM363651;C#CC(C)C(O)C=CC;DZGGSOAKKAZUMQ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363652;MM363652;C=CC(F)CNCCNC;JDDWJHFGRMGNCA-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363653;MM363653;CN(C=O)N=COCCF;BBCMBZIODSUMTD-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363654;MM363654;C=CC(C)CNCCOC;IHIVMUWYOYZYKP-UHFFFAOYSA-N;143.23;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363655;MM363655;COCOC=NN(C)C=N;SQJOXFCEKGLVFI-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363656;MM363656;C=CC(C)COCCCF;IRANOVJHDOQHJU-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363657;MM363657;C=CC(C)C=CCCC=O;FWBLSMNMLDQDOC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363658;MM363658;CC(C=O)COCCCF;HWRUOWWVWSRQRF-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363659;MM363659;C=CC(C)C=CCCC#N;DCQBZHXGUXGMDS-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363660;MM363660;C=CC(N)COCCCF;XBOISUYZNYKNQR-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363661;MM363661;C=CCCC=CC(C)C=O;BWIYWCSYOZSGPR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363662;MM363662;CCCCOCC(O)C#N;GAUVWIUNNIJXDR-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363663;MM363663;C=CCCC=CC(C)C#N;PTRJTIXFASGMFF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363664;MM363664;N#CC(O)COCCCO;TUSWZGAQKHWWDC-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363665;MM363665;CC(C#N)C=CCCC#N;WBJBMGBZOSTOQW-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363666;MM363666;N#CC(F)COCCCO;WPYNFPMUDQXEAJ-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363667;MM363667;C=CCCC=CC(O)C=C;UQHTUUJTIGNMHP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363668;MM363668;C=CC(N)COCCNC;HVJLIVHYSGAUDL-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363669;MM363669;C=CC(O)C=CCCC=O;PMHKBAOCTRLHHI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363670;MM363670;CNCCOCC(O)C#N;IRUFSPPAICQSLU-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363671;MM363671;C=CCCC=CC(O)C#N;GKLYNCZVUJTDGB-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363672;MM363672;CNCCOCC(F)C=O;NGQMJRRLVNOMHM-UHFFFAOYSA-N;149.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363673;MM363673;O=CCCC=CC(O)C=O;BYMILKSBRULQDR-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363674;MM363674;COCCOCC(C)C=O;HETANMHIWALXMC-UHFFFAOYSA-N;146.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363675;MM363675;C=CC(N)COCCOC;JHWDWIXKLJVKQO-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363676;MM363676;C=CCCC=CC(F)C=O;BNCDCLPNFTYQRD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363677;MM363677;C=CC(O)COCCOC;ASNOXJMQPBFCNV-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363678;MM363678;C=CCCC=CC(F)C#N;VLCKIQCYYRSXBD-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363679;MM363679;COCCOCC(O)C=O;VGBTXGMFIRBXQK-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363680;MM363680;N#CC(F)C=CCCC=O;DZGFOKCYVNGNQP-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363681;MM363681;COCCOCC(O)C#N;JPJONIXUHMPIJP-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363682;MM363682;N#CCCC=CC(F)C#N;DAPPULRDUSZOLS-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363683;MM363683;COCCOCC(F)C=O;LBJLSJNIFIDPLY-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363684;MM363684;C=C(C=CC)C(C)CO;DREVHITXZRDJBN-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363685;MM363685;COCCOCC(F)C#N;BQSNULCLHMOTSQ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363686;MM363686;CC(C#N)C=CCNC=O;YKFDGOGNXFSNDK-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363687;MM363687;CCOCOCC(C)C=O;ZLFYMXGZDBDUER-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363688;MM363688;O=CNCC=CC(O)C=O;WLDZMQAJJSNRCN-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363689;MM363689;CCOCOCC(O)C=O;CKAPTXKWCOAQIH-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363690;MM363690;N#CC(O)C=CCNC=O;NGEIWUIMZXMAHP-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363691;MM363691;C=CC(C)NCCCCC;WRFGCGPKIKURSH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363692;MM363692;C=C(C=CF)C(C)CO;AAIOXSKJXKXDGW-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363693;MM363693;C=CC(C)NCCCCF;HTUKHQSBAQAPHR-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363694;MM363694;C#CC1C=C(C)C(O)C1;WMROUPUWJNFDOW-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363695;MM363695;CCCCCNC(C)C#N;FPIWGHDJVJFHOS-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363696;MM363696;C=NNCC=CC(C)C#N;CNUXBXNPTVDUIW-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363697;MM363697;CC1CC1(CO)CCC=O;XSPPPTUNDJYIRG-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363698;MM363698;C=CC(N)C=CCNN=C;MEUUNYOIVKLNIW-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363699;MM363699;CC(C=O)NCCCCF;KFCMFQFWLLMQRM-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363700;MM363700;C#CC1C=CC(O)C1C;JHTKBDRCTUWYGD-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363701;MM363701;CNCCCNC(C)C#N;NBFBJHIDRJFXSR-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363702;MM363702;C=CC(F)C=CCNN=C;JHTACJBYLHSWCE-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363703;MM363703;CCNCCNC(C)C#N;KMROFWHVZRJAAH-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363704;MM363704;C=COCC=CC(C)C#N;GMURDEYISBVPGM-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363705;MM363705;CCOCCNC(C)C#N;UDUOZIHCKPIPLD-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363706;MM363706;C=COCC=CC(O)C#N;QRHUVPAKTUHVEY-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363707;MM363707;CC(C=O)OCCCCO;TYXJAKRPBDRDAP-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363708;MM363708;N#CC(O)C=CCOC=O;HCPBPOHEZOFOBY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363709;MM363709;CC(C=O)OCCCCF;MCZZAVOLMNYWGI-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363710;MM363710;C=CC(F)C=CCOC=O;GLNQWLBZTGNADP-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363711;MM363711;CC(C#N)OCCCCF;NVEPUFUPSAQBBP-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363712;MM363712;C=NOCC=CC(C)C#N;HTTPQUQQLMVKDJ-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363713;MM363713;C=CC(C)OCCCNC;YTXURQQMIRCOQH-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363714;MM363714;C=CC(N)C=CCON=C;ZMVHPPVSXKTDOI-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363715;MM363715;CNCCCOC(C)C=O;VUFXGMAPMAOYNC-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363716;MM363716;C=CC(F)C=CCON=C;WPWJMZUMCPXJIO-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363717;MM363717;CCOCCOC(C)C=O;PVAPJCBNEFIWIT-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363718;MM363718;C=CC(C)C=COCC=O;LSNJCUIXPUBTNA-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363719;MM363719;CCOCCOC(C)C#N;BOYAJAKNBLDEJH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363720;MM363720;C=CCOC=CC(C)C=O;COKCQGTXGQZMBG-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363721;MM363721;C=CC(C)OCOCCN;VMITUVLBZBEVAW-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363722;MM363722;C=CCOC=CC(C)C#N;DBQNSBHKOJHYTE-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363723;MM363723;CCCOCOC(C)C#N;MYAGGBQTKLHHTC-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363724;MM363724;CC(C#N)C=COCC=O;XKHKEBXTLBNUDG-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363725;MM363725;CC(C=O)OCOCCO;GBYABHLHYOHHGY-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363726;MM363726;CC(C#N)C=COCC#N;RNIYFVSXKHFDPH-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363727;MM363727;COCOCOC(C)C=O;PZGOBZKEGHWLOH-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363728;MM363728;C=CC(O)C=COCC#N;KNTVEKFBKFGMOU-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363729;MM363729;CN(C=N)CCCCCO;BTSRJVOEBHZHLP-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363730;MM363730;N#CC(O)C=COCC=O;FZDGVFYFPUTTGH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363731;MM363731;CN(C=O)CCCCCN;GDHAIAGFHNTGCJ-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363732;MM363732;N#CCOC=CC(O)C=O;DYZQHPCOYDCTMC-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363733;MM363733;C=CC(C)=CC1C(C)C1O;LKICAWOZLLIDCC-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363734;MM363734;C=CCOC=CC(F)C=C;VBVCIWFQDSMNQL-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363735;MM363735;CN(C=O)CCCCCF;VNEPFUFPOIQZAT-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363736;MM363736;C=CC(F)C=COCC#N;SYRHRRWEUPPILC-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363737;MM363737;CCCCCCN(N)C=N;HPKVIEMESNOWDT-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363738;MM363738;C=CCOC=CC(F)C#N;OWEADHPPYSDOOG-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363739;MM363739;NN(C=O)CCCCCF;CKXITPHPTJYCNS-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363740;MM363740;N#CCOC=CC(F)C#N;GFRWUTFFCSAEML-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363741;MM363741;CCCCCCN(O)C=N;GZZNTUUSSUPYLM-UHFFFAOYSA-N;144.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363742;MM363742;C#CCCC(CC)CO;LWMADTKXTUGSBX-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363743;MM363743;C=CC(CO)CC=CC;CPBQXVATLOCIOL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363744;MM363744;N=CN(O)CCCCCO;LARUYIWUTAJLBD-UHFFFAOYSA-N;146.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363745;MM363745;C=CCNN=CC(F)C=C;NQGPFYGEHSMDKK-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363746;MM363746;CCCCCCN(O)C=O;VZIKENPHBVPGHO-UHFFFAOYSA-N;145.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363747;MM363747;C=CC(CO)CC=CF;IAYMQJRZSIDWTC-UHFFFAOYSA-N;130.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363748;MM363748;O=CN(O)CCCCCO;PIWAYLCYRWDTCG-UHFFFAOYSA-N;147.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363749;MM363749;C=CC1=CCC(CO)C1;AGYNGWAECIWKHC-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363750;MM363750;O=CN(O)CCCCCF;BBIGGWLSWOKADQ-UHFFFAOYSA-N;149.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363751;MM363751;C=CCON=CC(C)C=C;PRHMGSBKRBVOLO-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363752;MM363752;CNCCCCN(C)C=N;VXYAHHBNOZZAOB-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363753;MM363753;O=CC1=CCC(CO)C1;SOLLSCYPBDJLBX-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363754;MM363754;CNCCCCN(O)C=O;ZHEFPKVUBITZRQ-UHFFFAOYSA-N;146.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363755;MM363755;CC#CC(C)=CC(C)(C)O;AWUOWVUGVKDNBD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363756;MM363756;COCCCCN(C)C=N;MTGRICJHCUJYJQ-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363757;MM363757;CC(C)(C)C1CC1(C)CO;BSYSWIAOBSXHAA-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363758;MM363758;COCCCCN(N)C=O;FFSJGDISHVBRQZ-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363759;MM363759;C=NOC(C)(C)OCC=O;PSXJFILVKYFLNS-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363760;MM363760;COCCCCN(O)C=O;HFUHCVVVNHQHKX-UHFFFAOYSA-N;147.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363761;MM363761;C=CCON=CC(O)C#N;GZFWJPJUJTZJHP-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363762;MM363762;CCNCCCN(C)C=N;OWCKSURVMZSKLF-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363763;MM363763;C=CCON=CC(F)C=C;ZZCALFPAEOJFGM-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363764;MM363764;CCNCCCN(C)C=O;YKGQZLDRGWAZCW-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363765;MM363765;C=CC(F)C=NOCC#N;HGIIEMZHHUOGKC-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363766;MM363766;CCNCCCN(N)C=O;CNYYIIXGXUFFDK-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363767;MM363767;C=CC(O)CC(=C)C(=C)C;OPCWLBCQTJJXIG-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363768;MM363768;CCNCCCN(O)C=O;HRXQNVTUDGLTLB-UHFFFAOYSA-N;146.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363769;MM363769;C=CCCC=CN(C)C=N;HWAHJIKNQNKNOM-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363770;MM363770;CCOCCCN(C)C=N;QQKGBNUAEBMITB-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363771;MM363771;C=CCCC=CN(N)C=N;YAAVMRMLBNUITL-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363772;MM363772;C=NN(C)CCCCCF;QLCOILXAUIMMEP-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363773;MM363773;C=CCCC=CN(N)C=O;IXDSLAXDPFGZCV-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363774;MM363774;C=NN(C)CCCOCC;LLGLZHBSENXTCK-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363775;MM363775;C=CCCC=CN(O)C=N;RKQNYZCKESUPEG-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363776;MM363776;CN(C=N)CCNCCO;NIZVKWCPWOIGBZ-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363777;MM363777;C=CCCC=CN(O)C=O;VNQVLHUTBIYOCQ-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363778;MM363778;CN(C=N)CCNCCF;GBVBYBSHOUSATG-UHFFFAOYSA-N;147.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363779;MM363779;CN(C=N)C=CCNC=O;LUMACURPUONUQX-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363780;MM363780;CCCNCCN(N)C=N;CXCIOZFJLOUNLU-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363781;MM363781;CN(C=O)C=CCNC=N;VRLMHWFSAKTGPM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363782;MM363782;C=NN(C)CCNCCO;QSWFGFFXMIQMKS-UHFFFAOYSA-N;145.21;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363783;MM363783;N=CNCC=CN(O)C=N;WWFIHGXYDJNMMN-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363784;MM363784;CCCOCCN(C)C=N;ZLKRVASIBOUVGN-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363785;MM363785;C=COCC=CN(C)C=O;BLVUJBFMJSSFEE-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363786;MM363786;CN(C=N)CCOCCN;WBFWWUXFIWMNGC-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363787;MM363787;C=NOCC=CN(C)C=N;HTBJPOMYIBBSMB-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363788;MM363788;CN(C=N)CCOCCO;NZKRVTBYWUZQCL-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363789;MM363789;C=CCOC=CN(C)C=N;VUBKKDLBJRBYAI-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363790;MM363790;CN(C=N)CCOCCF;IZFHSHKOYZVXSE-UHFFFAOYSA-N;148.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363791;MM363791;C=CCOC=CN(C)C=O;ROOFLAHOWJAGBC-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363792;MM363792;CN(C=O)CCOCCO;HIBXNUQRHTXOMD-UHFFFAOYSA-N;147.17;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363793;MM363793;C=CCCN=CN(C)C=C;IDESATUVWZBDFO-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363794;MM363794;CN(C=O)CCOCCF;GTZNLAGOKXHXFB-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363795;MM363795;C=CCCN=CN(C)C=N;YQJAHNSXEFIFSV-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363796;MM363796;C=NN(C)CCOCCN;QMPLKEZIIXAYNL-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363797;MM363797;C=CCCN=CN(C)C=O;MUFREWIWEYEKGG-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363798;MM363798;C=NN(C)CCOCOC;RLHMTKGIKNEXRU-UHFFFAOYSA-N;146.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363799;MM363799;C=CCNN=CN(C)C=C;LQCFEPUSMGFWDM-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363800;MM363800;CCCCCNN(C)C=N;SAXQKJGINQPNCR-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363801;MM363801;CN(C=N)C=NNCC=O;DWSADCHZVBVMQQ-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363802;MM363802;CCCCCNN(C)C=O;ZDNCSSBWVWJIOV-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363803;MM363803;C=C(CCC)CCC(C)O;QVWODBNQXMWNLJ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363804;MM363804;CNCCCNN(C)C=N;RYDNYMYSFSXUSD-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363805;MM363805;C=C(CCF)CCC(C)O;JNOVWEWYKLLQJA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363806;MM363806;COCCCNN(C)C=N;IHYCRYBKDJQTSY-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363807;MM363807;CN(C=O)C=NOCC#N;HAHGFONHXMVNTM-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363808;MM363808;CCOCCNN(C)C=O;BFOPXOBDBFUAPJ-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363809;MM363809;C=CCON=CN(N)C=C;KZWSTBIOBBCMDN-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363810;MM363810;CCCCCON(C)C=O;METBNZIBWQFERN-UHFFFAOYSA-N;145.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363811;MM363811;CN(C=O)OCCCCF;XQBAEAVKKCYPQB-UHFFFAOYSA-N;149.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363812;MM363812;C=CCC(=C)CCC(C)O;COIWGQRNFZOKLA-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363813;MM363813;CNCCCON(C)C=O;CLEFKMHNFZZFHG-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363814;MM363814;C=C(CC=O)CCC(C)O;FSBYBDQYONTMPH-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363815;MM363815;COCCCON(C)C=N;OVWLOTYHHSFUDG-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363816;MM363816;C=C(CC#N)CCC(C)O;MDPBWUHQVSJASS-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363817;MM363817;CCNCCON(C)C=O;ACFWQSRGSIDRTE-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363818;MM363818;C=CCCC=NN(C)C=N;AHLRTKZUBCFHRU-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363819;MM363819;CN(C=N)OCOCCN;IMQCOVAXRAHPFV-UHFFFAOYSA-N;147.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363820;MM363820;CN(C=N)N=CCCC#N;LJHSXLXZPBJPPP-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363821;MM363821;CN(C=N)OCOCCO;TUOZCBXYAQDDKE-UHFFFAOYSA-N;148.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363822;MM363822;C=CCCC=NN(C)C=O;AOPSKZDRIHXEQC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363823;MM363823;CN(C=O)OCOCCN;ISNVSFUGYXUPLS-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363824;MM363824;C#CCC(=C)CCC(C)O;KUYQGVYNJZPIBJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363825;MM363825;CN(C=O)OCOCCO;MJKZUKPVPYBMCF-UHFFFAOYSA-N;149.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363826;MM363826;C=COCC=NN(C)C=N;DGPUJIYZDZVBNP-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363827;MM363827;COCOCON(C)C=N;AMVXTWYUTKHBRS-UHFFFAOYSA-N;148.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363828;MM363828;C=NOCC=NN(C)C=N;XPQVBHRPGUJVFH-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363829;MM363829;C=CCCCCC(C)C=O;XQRPEXINSCDAPK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363830;MM363830;C=NOCC=NN(C)C=O;MDQKCRTZIJLIIZ-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363831;MM363831;C=CCCCCC(C)C#N;TZKYTZVLIPUDKR-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363832;MM363832;C=CCOC=NN(C)C=N;LDWXPVSLNLDMEN-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363833;MM363833;C=CCCCCC(N)C=C;KRDKODFAFVPJJC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363834;MM363834;C=CCOC=NN(C)C=O;XVBZRNQBYDAMIZ-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363835;MM363835;C#CC(CF)ONC=NN;BWNBKQNTVYEWNF-UHFFFAOYSA-N;145.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363836;MM363836;CN(C=O)N=COCC#N;PXZLJKNFPGSECB-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363837;MM363837;O=CCCCCC(O)C=O;ZCEYZHSXUYATNY-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363838;MM363838;CCC=C(C)CCC(C)O;MHRBZGXYCSWPFD-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363839;MM363839;N#CCCCCC(O)C=O;HLLPELHRVLZEDL-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363840;MM363840;CN(C=O)N=CONC=O;PJOABMKJXZXPOM-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363841;MM363841;N#CC(O)CCCCC=O;WWPIXBRYWJXJQL-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363842;MM363842;C#CCCC=CC(C)C=C;VSKBXZWXGPQXJT-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363843;MM363843;N#CCCCCC(O)C#N;FVIFCZPHBXSWSB-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363844;MM363844;C#CCCC=CC(O)C=O;FPBMWKKLDZKHKJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363845;MM363845;C=CC(F)CCCCC#N;XLCZYEQBCLXAKN-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363846;MM363846;C#CCCC=CC(F)C=O;AOZCJTOKSXZQRB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363847;MM363847;CC(C=O)CCCN=CN;MDHJSAMJPWFKSD-UHFFFAOYSA-N;142.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363848;MM363848;C#CCCC=CC(F)C#N;PXIACNMQDMOUGI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363849;MM363849;CC(C#N)CCCNC=O;WDWHNOLQXYMVKY-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363850;MM363850;C=CC(N)CCCNC=N;HVJGCOMXRDPTNQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363851;MM363851;C#CCOC=CC(C)C=O;BXIADJDOSBNORK-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363852;MM363852;C=CC(O)CCCNC=N;IBPBBSUTQGYMFT-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363853;MM363853;C#CCOC=CC(C)C#N;PUUCJTANNJWOGG-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363854;MM363854;C=CC(F)CCCNC=N;VTHDBIYNJDIHHW-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363855;MM363855;C#CCOC=CC(N)C=C;HYJAQIOWNRNQPK-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363856;MM363856;C=CC(C)CCCNN=C;BGGZEKLHZKSKON-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363857;MM363857;C#CCOC=CC(O)C=O;JRLQNNIHMUGAKH-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363858;MM363858;CCC#CCC(CC)CO;BCIGBRLRFMGPMZ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363859;MM363859;C#CCOC=CC(F)C=C;TYXCACZIRXXMLU-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363860;MM363860;C=CC(C)CCCOC=O;SCCNEHQTWGVSOC-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363861;MM363861;C#CCOC=CC(F)C#N;ZKYHEYHOFAWERG-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363862;MM363862;CC(C=O)CCCOC=O;CMSCZZLVLCOREN-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363863;MM363863;CC(=CC=O)CCC(C)O;MZVBJLAZDJYEQR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363864;MM363864;CC(C#N)CCCOC=O;RPJATSKLQOTJDS-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363865;MM363865;CC(=CC#N)CCC(C)O;SYOLOYYXWUXVAP-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363866;MM363866;C=CC(N)CCCOC=O;WOGDJFCMOXFBDK-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363867;MM363867;C#CCON=CC(N)C=C;HSLQOFSPHHNOQP-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363868;MM363868;C=CC(O)CCCOC=O;FFEKRXKMEIDNGZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363869;MM363869;C#CC=C(C)CCC(C)O;WJOXMNRJSCGWFM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363870;MM363870;C=COCCCC(O)C#N;KQIBQLVVGKVMHI-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363871;MM363871;C#CCON=CC(O)C=O;FWIDVDJPVXRZGP-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363872;MM363872;C=CC(F)CCCOC=O;PHMLZQOVSOMBDI-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363873;MM363873;C#CCON=CC(O)C#N;NMHKJWRJYWZGMT-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363874;MM363874;O=COCCCC(F)C=O;MYDVROFNIHMSAE-UHFFFAOYSA-N;148.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363875;MM363875;C#CCCC=CN(N)C=O;FJAZFVAJKGWOKC-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363876;MM363876;C=NOCCCC(C)C#N;WRJBCAVMVXUJST-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363877;MM363877;C#CCCC=CN(O)C=N;DMXWCNMRYWWCLF-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363878;MM363878;CCC(C=O)N(C)CC=O;HZVDKSKXURVQCR-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363879;MM363879;C#CCCC=CN(O)C=O;RTFOOWJJWHCVJA-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363880;MM363880;C=CC(F)CCCON=C;FZMKIXGTRYCGBR-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363881;MM363881;C#CCCN=CN(C)C=C;CHKUNXIRYHTQBG-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363882;MM363882;C=CCNCCC(C)C=C;QGLZZJSILYGZIB-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363883;MM363883;C#CCCN=CN(N)C=O;WHPRLBQVVWOCTL-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363884;MM363884;C=CC(C)CCNCC=O;HVOLIHPYKIEWHB-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363885;MM363885;C#CCNN=CN(C)C=N;BAUUHZOYHXLNMW-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363886;MM363886;C=CCNCCC(C)C=O;BIFXXZVCJNQKAX-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363887;MM363887;C=CCC(O)C=CC(=C)C;NUNSWRWCSKCZPR-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363888;MM363888;CNc1cnc(C(C)C)o1;VKNOUOPCUYIBMD-UHFFFAOYSA-N;140.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363889;MM363889;C=C(CCC(C)O)C(C)F;ITPCOWMLBPOFMT-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363890;MM363890;N#CC=C1CC(C=O)CN1;QZHBSKNVBHCALD-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363891;MM363891;C#CCON=CN(C)C=C;RNHKRAXADHEYLB-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363892;MM363892;CCC1CC(CO)CC1C;SZXMUFDUYGJSID-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363893;MM363893;C#CCON=CN(C)C=O;JHCPBKQYULCFHX-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363894;MM363894;C=CCNCCC(F)C=O;BBQINIULJLMISM-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363895;MM363895;C#CCON=CN(N)C=C;DPDPLITWUSJNAT-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363896;MM363896;C=CCNCCC(F)C#N;RYLXJNVNWHIKNO-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363897;MM363897;C#CCON=CN(N)C=O;MJVRVECTRXVFKI-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363898;MM363898;C=CC(C)CCNNC=N;OFYAAOFHHZQOKC-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363899;MM363899;CC(F)=C(C)CCC(C)O;ZIPYWDRWCYDQTG-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363900;MM363900;CC(C#N)CCNNC=N;LZWHEGYUVMWJPV-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363901;MM363901;C#CCCC=NN(C)C=N;LJAVWUMTCATHMS-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363902;MM363902;CCC=C1CC2C(O)C2C1;VXPILVNZIIFLCA-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363903;MM363903;C#CC(C)C=CCCCC;DOPAOKLDNHTVOD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363904;MM363904;C=CC=C1CC2C(O)C2C1;CLRLJWYIDXQLJT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363905;MM363905;C#CC(C)C=CCCCN;LHIPKKNLLIUDII-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363906;MM363906;C=CC(N)CCNNC=O;YTOZZPVZDFHMBC-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363907;MM363907;C=C(C=O)C=CCC(C)O;KKMZYQGHPHNOHL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363908;MM363908;C=CC(O)CCNNC=N;AVQKNUHHDIXWHQ-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363909;MM363909;C#CC(C)C=CCCCF;ZVIOGQOYKDKLCC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363910;MM363910;N=CNNCCC(F)C=O;ZQEBEICTBPRDOI-UHFFFAOYSA-N;147.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363911;MM363911;C#CC(F)C=CCCCC;AVGGWWFXNSFYLA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363912;MM363912;N#CC(F)CCNNC=N;QOZKONYRRWOCMR-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363913;MM363913;C#CC(F)C=CCCCF;ILTSLXLXHONAFY-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363914;MM363914;C=CC(C)CCOCC=O;QQJBSCRRAFXODY-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363915;MM363915;C#CC(C)C=CCCNC;DDQVKBGIXSHQKA-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363916;MM363916;C=CC(C)CCOCC#N;QGHKUKLHGULRRA-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363917;MM363917;C#CC(N)C=CCCNC;YMRJCKAMAOGUSH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363918;MM363918;C=CCOCCC(C)C=O;PZXKDAVWIHEHSS-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363919;MM363919;C#CC(F)C=CCCNC;VHFPYSOBCDNOKH-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363920;MM363920;C=CCOCCC(C)C#N;YIKXEWZXFOESLL-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363921;MM363921;C#CC(N)C=CCNCC;FRRSYGFYCRZYMI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363922;MM363922;CC(C#N)CCOCC=O;BPVPUIXFUJXOAK-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363923;MM363923;C#CC(C)C=COCCC;YLEVLZBAQPVNNV-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363924;MM363924;CC(C#N)CCOCC#N;DJYLAQRAFWXAML-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363925;MM363925;C#CC(C)C=COCCO;ZPXJCYVAHALQKM-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363926;MM363926;C=CCOCCC(N)C=C;NSSICXJGNPXHGS-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363927;MM363927;C#CC(N)C=COCCN;KMTGCFAJPNBEDR-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363928;MM363928;C=CCOCCC(O)C=C;GZGORNOTPXSINK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363929;MM363929;C#CC(C)C=COCOC;LBEWWHYFDIIYGE-UHFFFAOYSA-N;140.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363930;MM363930;C=CCOCCC(O)C=O;SLDKOAIRGCMEFI-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363931;MM363931;C#CC(N)C=COCOC;NLXFBHFHBJQJTL-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363932;MM363932;N#CCOCCC(O)C=O;DFQFYTBRHKEKCK-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363933;MM363933;C=CCOCCC(F)C=C;RKGUFNGVEPTUOB-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363934;MM363934;C#CC(F)C=NNCCC;CZXFGUHCNHMIOK-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363935;MM363935;C=CC(F)CCOCC#N;YFGAOYATVONLKU-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363936;MM363936;C#CC(F)C=NNCCN;NBXCESVASSOLIL-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363937;MM363937;C=CCOCCC(F)C#N;PZUJITQHIIUNNQ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363938;MM363938;C=CC(=O)C=CCC(C)O;GVXOKVWJSWJGOV-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363939;MM363939;C=CC(C)CCONC=N;KAOZMGMIKIOYNK-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363940;MM363940;C#CC(C)C=NOCCC;PQRFZYWSRWVYDO-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363941;MM363941;CC(C=O)CCONC=O;GXHVEBCJCLZXCL-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363942;MM363942;C#CC(C)C=NOCCN;BAAKPSZLBAQHBT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363943;MM363943;N#CC(F)CCONC=N;QUPJEUWEURELLX-UHFFFAOYSA-N;145.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363944;MM363944;CC(C=CCC(C)O)=CF;QDMSNJADMBJFJO-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363945;MM363945;C=CCCNCC(C)C=C;IXEQLYABNVKVQN-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363946;MM363946;C#CC(O)C=NOCCO;YIEFOXWNPSQUPK-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363947;MM363947;C=CC(C)CNCCC=O;IWTXQYKKPBOZQV-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363948;MM363948;C#CC(C)C=NOCOC;FUGROBALFKVQFN-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363949;MM363949;C=CCCNCC(C)C=O;RWNFZKIPDIYHFP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363950;MM363950;CC(C=CCC(C)O)=NN;JARMFPHJFALNKV-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363951;MM363951;CC(C#N)CNCCC#N;IADMFFZTSKMBNU-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363952;MM363952;C#CC(C)C=CCCC=C;UYZQBQKZVMHFDZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363953;MM363953;C=CCCNCC(O)C=C;UULVYPRTNFYRGH-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363954;MM363954;C#CC(C)C=CCCC=O;BIIHBXMPGWQTCC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363955;MM363955;N#CC=C1CC2C(O)C2C1;HTOLWXHDHWJMRI-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363956;MM363956;C#CC(C)C=CCCC#N;PPZLABKONFVMAA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363957;MM363957;C=CCCOCC(C)C=C;QDQCEQUFFBWLJG-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363958;MM363958;C#CC(N)C=CCCC=C;RZWLRSJXFVNRSC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363959;MM363959;C=CC(C)COCCC=O;HJRVMUKUKXMBNK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363960;MM363960;C#CC(O)C=CCCC=C;NMNWDHOWYJFDLD-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363961;MM363961;C=CC(C)COCCC#N;OMQYDXBPMPVFSA-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363962;MM363962;C#CC(F)C=CCCC=C;DANBCDPDZLHHAA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363963;MM363963;C=CCCOCC(C)C#N;MJMREDFWXLFIDA-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363964;MM363964;C#CC(F)C=CCCC=O;ZJGXVTCLORTVBC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363965;MM363965;C=CCCOCC(N)C=C;SHDPSBBMMCJVJS-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363966;MM363966;C#CC(N)C=CCNC=N;BMAANPMSLWOHDS-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363967;MM363967;C=CCCOCC(O)C=C;QREFFYJSISMQAG-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363968;MM363968;C#CC(O)C=CCNC=O;APOBVWGWOYHHRN-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363969;MM363969;C=CC(O)COCCC=O;XUQFBBALNVJPNN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363970;MM363970;C#CC(F)C=CCNC=N;NHWCQGZPKJOGGX-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363971;MM363971;C=CCCOCC(O)C=O;GXFMEJQUTZRMLN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363972;MM363972;C#CC(N)C=CCNN=C;IBUZOIBDPALPAZ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363973;MM363973;N#CCCOCC(O)C=O;CVPWUXYKBNOKGW-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363974;MM363974;C=NNC(C)=NC(C)C=O;OYSBLAJYPQPPLM-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363975;MM363975;C=CC(F)COCCC#N;ZKYLFUHEBIRLDI-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363976;MM363976;C#CC(N)C=CCOC=O;HXZOCMJOEQCCJF-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363977;MM363977;C=COCOCC(C)C=O;GOXWHWDGEWGDCU-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363978;MM363978;C#CC(C)C=CCON=C;AZLNWVYZDFNMOT-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363979;MM363979;C=CC(N)COCOC=O;NRMTVPGGQZBSGY-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363980;MM363980;C#CC(F)C=CCON=C;IOFDKCUNNDMICB-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363981;MM363981;C=CC(O)COCOC=O;NEUPYGKOSNSBJK-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363982;MM363982;C#CC(C)C=COCC=C;XORUKZZQJSBQJM-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363983;MM363983;N#CC(O)COCOC=O;HGLKHJWMJDNKOZ-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363984;MM363984;C#CC(C)C=COCC=O;JWEWDVCFEGMSBQ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363985;MM363985;C=COCOCC(F)C=C;CRUKZDPEEVODRI-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363986;MM363986;C#CC(C)C=COCC#N;OEKWDQSAFVZWBO-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363987;MM363987;C#CC=C1CC2C(O)C2C1;ZMUPGGGMPBTYKZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363988;MM363988;C#CC(O)C=COCC=O;GBWHHOLXFGBXCG-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363989;MM363989;C=CC(C)NCCCC=O;JZEKQMOJEFCXIB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363990;MM363990;C#CC(F)C=COCC#N;OVMPCADJLNLKEP-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363991;MM363991;C=CC(C)NCCCC#N;GXMDODACTGYRDK-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363992;MM363992;C#CC(C)C=NNCC=C;XZQJZZSERSDYNQ-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363993;MM363993;CC(C#N)NCCCC#N;UZTDPIFZTWQCEM-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363994;MM363994;C#CC(C)C=NOCC#N;GGBIBWSZHSDXFA-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363995;MM363995;C=CC(C)NCCNC=N;DDKDYTSFSMZZHR-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363996;MM363996;C#CC(O)C=NOCC#N;NBSNCASOEHDOAL-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363997;MM363997;C=CC(C)NCCNC=O;RUXYROJEBBRLIH-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363998;MM363998;C=C(F)CC(C=O)=NNC;TUVKXRSUYLYPLV-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM363999;MM363999;C=NNCCNC(C)C#N;AISLQWOQXGAPFV-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364000;MM364000;CCC=CC=CCC(C)O;DYCXRAJBTOAXQQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364001;MM364001;C=COCCNC(C)C=C;UOSMWAOIFNJGJS-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364002;MM364002;C#CCOC=CC(C)C#C;XEBMNMBGDYIWFG-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364003;MM364003;C=COCCNC(C)C#N;CQFNOLATHUWOLD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364004;MM364004;C#CCOC=CC(F)C#C;GOSVJLNLPBFTKV-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364005;MM364005;CC(C#N)NCCOC=O;XDSVQCOYPUMDKC-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364006;MM364006;CC(O)CC=CC=CC=O;NJOSYQTUXBAHRH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364007;MM364007;C=CC(C)OCCCC#N;LELQDIFWOOPRDO-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364008;MM364008;C#CCON=CC(C)C#C;RHJUTUSDZGZADT-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364009;MM364009;CC(C=O)OCCCC=O;QDOXXGAQXLXTGC-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364010;MM364010;C=C(C=CCCCC)CC;SSRYDEXQHFBNTC-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364011;MM364011;CC(C#N)OCCCC=O;QPWHUVJDHOSGFI-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364012;MM364012;C=C(C=CCCCN)CC;OKMMHAIAFIXEPU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364013;MM364013;C=CC(C)OCCNN=C;HULJAAHKQXSXKS-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364014;MM364014;C=NNC(=N)C(F)C#CC;QUWRYSKCLQGQQO-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364015;MM364015;C=COCCOC(C)C=O;ADBPKVAUZDTNSK-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364016;MM364016;C=C(C=CCCCF)CC;ZQMKJYHVWXXEQM-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364017;MM364017;C=COCCOC(C)C#N;UMONUIXTDIQFDU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364018;MM364018;C=C(C=CCCCF)CN;WVECPVJUKYYFKQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364019;MM364019;C=CC(C)OCOCC=O;ROUCRBKJKAXLEA-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364020;MM364020;C=C(C=CCCCC)CO;JXINRAGGDYIGSK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364021;MM364021;C=CC(C)OCONC=O;PHUJDEBQVGIQLO-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364022;MM364022;C=C(C=CCCCO)CO;VHUCPAYTBXGVCV-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364023;MM364023;CC(C#N)OCONC=N;MUNDUEDQAULHIT-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364024;MM364024;CC(C=O)OCONC=O;ZDHOTVHKPZELAN-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364025;MM364025;CCCCC=CC(=O)CC;QVJOMQRREBIZOD-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364026;MM364026;C=CCCCCN(C)C=N;JKXTWOUOVXVRGV-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364027;MM364027;CNN=C(C=CF)CC#N;ZTPZWIKWOPGMFU-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364028;MM364028;C=CCCCCN(C)C=O;YYZKSLKMFFUJRW-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364029;MM364029;CCCCC=CC(=O)CO;XRSFCGYMPYYSED-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364030;MM364030;C=CCCCCN(N)C=N;GXXDTVWQGBBFQP-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364031;MM364031;O=C(C=CCCCO)CO;BHTPSUWSJGTQBH-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364032;MM364032;C=CCCCCN(N)C=O;AIOCMHXPYKEFPM-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364033;MM364033;C=C(C=CCCNC)CC;VFTUZSCLGQLUEU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364034;MM364034;C=CCCCCN(O)C=O;HNRDBNFECWULGW-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364035;MM364035;CCC(=O)C=CCCNC;YSJOAJOQYLRQFF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364036;MM364036;O=CCCCCN(O)C=O;WDBNRKFFSPSQHT-UHFFFAOYSA-N;145.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364037;MM364037;CNCCC=CC(=O)CO;JKHSTZQDAAIBMI-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364038;MM364038;C=NNCCCN(C)C=N;JCZKFSMZEDOVGV-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364039;MM364039;C=C(C=CCCOC)CC;OFAHFHUQESEGNB-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364040;MM364040;C=NNCCCN(C)C=O;LUUFOSDOKWYANY-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364041;MM364041;C=C(C=CCNCC)CO;VOOKJWBGYVXVDD-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364042;MM364042;C=COCCCN(C)C=N;FLMWFCWIDHREQB-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364043;MM364043;CCOCC=CC(=O)CF;CESJTJHFIBDNJG-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364044;MM364044;CN(C=N)CCCOC=O;WEZMZCPRMRELIO-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364045;MM364045;CNC(=N)C=CCCCN;SUYFGJBACXWYEA-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364046;MM364046;CN(C=O)CCCOC=O;SDOKRNPHKWYGPV-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364047;MM364047;N=C(C=CCCCF)NN;RKEZYAVSQRISRR-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364048;MM364048;C=COCCCN(N)C=N;HNAHLVVLKHMWFW-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364049;MM364049;N=C(C=CCCCF)NO;VFNKGFSBEWTZPT-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364050;MM364050;C=COCCCN(N)C=O;PZVDWCCQBHCYRP-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364051;MM364051;C=CC(=CC)CC(O)C=C;YTZBSNRISFNCQO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364052;MM364052;C=COCCCN(O)C=O;VFVRSLIPJTVSAT-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364053;MM364053;CC=C(CC)CCC(C)O;HHJVETSGRXXACT-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364054;MM364054;C=NOCCCN(C)C=N;LWMLKGNIDVULRB-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364055;MM364055;CCC(=CF)CCC(C)O;CHVKEFZPZLRQPM-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364056;MM364056;C=NOCCCN(C)C=O;JEVCHDGZDXJMEI-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364057;MM364057;CCCCC=CC(=O)NO;NTBVFNDYSIRITE-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364058;MM364058;C=CCCCCN(C)N=C;YOUZQHZJOBAFME-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364059;MM364059;O=C(C=CCCCF)NO;IZMMPKYGUZLRGT-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364060;MM364060;C=CCNCCN(N)C=N;OACRLCTVZFUEAE-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364061;MM364061;CCOCC=CC(=N)NC;IYHGAZWPCDMHLC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364062;MM364062;N=CN(N)CCNNC=O;JMPCXHBTSPJYOA-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364063;MM364063;CC=C(CF)CCC(C)O;KUDVQFCHHRDRHE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364064;MM364064;CN(C=N)CCOCC=O;ZUSCADVGEXTGEX-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364065;MM364065;CCCNC=CC(=O)CC;GADXHJCKJNSULD-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364066;MM364066;CCC1C(C)C1C(C)CO;QEKCZPLIOYKALF-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364067;MM364067;CCCNC=CC(=O)CO;QMVMQDBBEIOXHY-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364068;MM364068;C=CCOCCN(N)C=N;VFKPFMKDUYGPBR-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364069;MM364069;CCCNC=CC(=O)CF;HAISLYVNGFUYJP-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364070;MM364070;C=CCOCCN(N)C=O;SQAQJUPXUTXJRD-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364071;MM364071;CNC(=N)C=CNCCN;VMYDULCWLJWILE-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364072;MM364072;CN(C=N)CCONC=O;WUZQDQKCUWTQCI-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364073;MM364073;CNC(=N)C=CNCCO;JLHZQGKLXZBCSL-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364074;MM364074;CN(C=O)CCONC=O;AXAHJIOXSGDTRV-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364075;MM364075;CCCNC=CC(=N)NN;XHHHQEFBIKLCTQ-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364076;MM364076;NN(C=O)CCONC=O;XSMIZCWNECFKQN-UHFFFAOYSA-N;147.13;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364077;MM364077;CCCNC=CC(=N)NO;VDRGSIOGHYMBLH-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364078;MM364078;C=CCOCCN(C)N=C;WYFXDTQINQOUQP-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364079;MM364079;N=C(C=CNCCN)NO;JBASGGJJTHYXTB-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364080;MM364080;C#CC#CC1OC1C=NN;IDYNJPNQODKABF-UHFFFAOYSA-N;134.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364081;MM364081;CC(O)CCC(=CF)CF;WNIWDJKPJKNYPS-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364082;MM364082;C=NN(C)CCOCC#N;QQXDLRJTURZKJY-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364083;MM364083;CNC(=O)C=CNCCN;RWUFUIBEWBDGLW-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364084;MM364084;CCCC=CC1C(C)C1O;OWJKKSJJVJCPCS-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364085;MM364085;C=CC(CO)CC=C(C)C;ARKRKLKLRNPJHK-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364086;MM364086;CN(C=N)NCCNC=N;MFZXUTVGABWSOG-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364087;MM364087;C=C(C=COCCC)CC;SVDKFOMJCDIYTC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364088;MM364088;CC1C(O)C1C=CCC#N;YWGZEJOKGTYEEK-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364089;MM364089;C=C(C=COCCN)CC;JWGJNAGSPPLBKD-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364090;MM364090;C=NNCCNN(C)C=O;OEMGWIFFGBYBCH-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364091;MM364091;C=C(C=COCCN)CN;KANDWXLHNHGXER-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364092;MM364092;C=COCCNN(C)C=O;VKMIFOMHMFBAHU-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364093;MM364093;C=C(C=COCCO)CN;JVFQQMSPYOHXDE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364094;MM364094;C=NOCCNN(C)C=N;MRCFHHWLFARLDH-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364095;MM364095;CCC(=O)C=COCCO;PYTLTVZMLNVWFJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364096;MM364096;C=NOCCNN(C)C=O;XYYXUPLFHIUKLG-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364097;MM364097;O=C(C=COCCO)CO;DYLFFSBJVJVELR-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364098;MM364098;C=CCCCON(C)C=O;YFVKFHYXJBVOGN-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364099;MM364099;O=C(C=COCCF)CO;ULIVFTLGBAYLMS-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364100;MM364100;CN(C=O)OCCCC=O;OYJNPPHPPKPWED-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364101;MM364101;O=C(C=COCCO)CF;XLRMSJYQNFHNTQ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364102;MM364102;CN(C=O)OCCOC=O;ZZNKZTSYIJAPQK-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364103;MM364103;COCOC=CC(=O)CO;IQIHDANCAFKKFE-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364104;MM364104;CN(C=N)OCOCC=O;ZUKXVQGQNDOWHJ-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364105;MM364105;CCCOC=CC(=N)NC;CSSUOMGKKUSTOU-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364106;MM364106;CN(C=N)OCOCC#N;LISXEYOFUDHJPF-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364107;MM364107;CNC(=N)C=COCCN;QGRBZPIYBYCACI-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364108;MM364108;C=CCOCON(C)C=O;IFLKZRKVHKLDMK-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364109;MM364109;N=C(C=COCCO)NN;JBFDILKZHNLBMO-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364110;MM364110;CN(C=O)OCOCC=O;SYZIRLQUMRDQLZ-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364111;MM364111;N=C(C=COCCF)NN;AWVJHNNLFOWJDP-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364112;MM364112;C#CCCCCC(C)C=C;OJBVUIPMSBNQIF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364113;MM364113;N=C(C=COCCN)NO;GMWNZKYAFYXRSV-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364114;MM364114;C#CCCCCC(C)C=O;DSLOPUXBUBHXNC-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364115;MM364115;N=C(C=COCCO)NO;KVDQKYMRQNWFNP-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364116;MM364116;C#CCCCCC(C)C#N;AKCMQWJESJYAEG-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364117;MM364117;N=C(C=COCCF)NO;BAECUKTXAGHSBW-UHFFFAOYSA-N;148.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364118;MM364118;C#CCCCCC(N)C=C;DMTKCSWDRBHATR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364119;MM364119;CNC(=O)C=COCCN;IIPAZUGSQQDAKO-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364120;MM364120;C#CCCCCC(O)C=O;GKITXDHKKJGRJV-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364121;MM364121;CNC(=O)C=COCCO;WIVRWONCIQKCEF-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364122;MM364122;C#CCCCCC(O)C#N;LQFLVLNUYBGVDU-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364123;MM364123;O=C(C=COCCO)NO;XTHJBNXHIOYROQ-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364124;MM364124;C#CCCCCC(F)C=O;JGYWDFDCARWHHG-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364125;MM364125;CNC(=N)C=COCOC;ZFBHZQVJESZYBB-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364126;MM364126;C#CCCCCC(F)C#N;JHIIYLBKYSXMQS-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364127;MM364127;C=CC(CO)CC=C(C)F;LFGWHIMVPBNZSX-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364128;MM364128;C#CCNCCC(N)C=C;FXPUKZBLVIWOOO-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364129;MM364129;C=C(C=COCCC)OC;OIQCIXPSCHMGFZ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364130;MM364130;C#CCNCCC(O)C=C;CMTFEOZJIDRURQ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364131;MM364131;C=C(C=COCCO)OC;FULGQXKNQQIMAI-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364132;MM364132;C#CCNCCC(F)C=C;WHFHXEOTZJGUNB-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364133;MM364133;CCCOC=CC(=O)OC;ATEQISKAWYKXAE-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364134;MM364134;C#CCOCCC(C)C=C;JPOQYZQSUYRPKO-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364135;MM364135;C=C(C=COCOC)OC;FVDCEIPCLPAPQW-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364136;MM364136;C#CCOCCC(C)C=O;UGPGDHMIFVDSNJ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364137;MM364137;C=C(C=NNCCN)CN;FFDPFNBCHRKNDB-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364138;MM364138;C#CCOCCC(C)C#N;ONVRUXYWLDGLJV-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364139;MM364139;C=C(C=NNCCF)CN;DYKJWJBGSGKQDD-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364140;MM364140;C#CCOCCC(O)C=O;ARIOWFLHSJVPGX-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364141;MM364141;C=C(C=NNCCN)CO;REHHLTGPQZQYGR-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364142;MM364142;C#CCOCCC(O)C#N;VBQMGZIPQQOMSR-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364143;MM364143;C=CC(CO)CC=C(F)F;MSXALWSJJZVRJN-UHFFFAOYSA-N;148.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364144;MM364144;C#CCCNCC(C)C=C;LJEWNNWOXHTPAE-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364145;MM364145;C=C(C=NNCCC)CF;NRUIBTAYDJFQCW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364146;MM364146;C#CCCNCC(N)C=C;RASJUADFVMGWMM-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364147;MM364147;C#CC1(CO)CC(C)C1C;GJMYHWQSDJMJJT-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364148;MM364148;C#CCCNCC(O)C=C;DAWIIWHQXTVEGC-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364149;MM364149;C#CC1(C#C)CC(O)C1C;YDQZDURLZHQPNK-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364150;MM364150;C#CCCNCC(F)C=C;SUTKGHDXDOCLPB-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364151;MM364151;CNC(=N)C=NNCCN;IODPWESYCGPKQL-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364152;MM364152;C#CCCOCC(C)C=C;QMJHMHJOIANPHP-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364153;MM364153;CNC(=N)C=NNCCO;MJZJWVNXSCJSIN-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364154;MM364154;C#CCCOCC(C)C=O;DFNYLXNPGXBARS-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364155;MM364155;N=C(C=NNCCN)NO;XNOOAHMHEBRFDT-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364156;MM364156;C#CCCOCC(C)C#N;UEMHLZHJADZJEG-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364157;MM364157;CCC1(C=O)NC1C(C)=O;JVTSIYWVPCLLDV-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364158;MM364158;C#CCCOCC(O)C=C;ZTGUEXZQHZCQBB-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364159;MM364159;NCCNN=CC(=O)NO;GLWPCAKZIXOOMH-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364160;MM364160;C#CCCOCC(O)C#N;FRXJCJLZKIBVID-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364161;MM364161;O=C(C=NNCCO)NO;WQNGYXYZDPKDIQ-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364162;MM364162;C#CCCOCC(F)C#N;YMLGQANEIWOPNO-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364163;MM364163;C=C(C=NNCCN)OC;ZAPPUCSIFKMYMB-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364164;MM364164;C#CCCCNC(C)C#N;DFRPAYCRCGEMBT-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364165;MM364165;CC1(C2CC2(C)CO)CC1;OIXJBQUTFKGLTN-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364166;MM364166;C#CCCCOC(C)C=C;FIZCFLOOAYBVGJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364167;MM364167;CC1(CC2(CO)CC2)CC1;NNRPXIBNYQAFOF-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364168;MM364168;C#CCCCOC(C)C#N;DAUYIJLYSURFQO-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364169;MM364169;C=C(C=NOCCN)CC;XPVCZVZCYQYLRO-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364170;MM364170;C#CCCCCN(C)C=N;AXUWFJANHFBTPG-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364171;MM364171;C=C(C=NOCCC)CN;GBGIKLODUXCVIM-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364172;MM364172;C#CCCCCN(N)C=O;BSBBIJJUMHEPCW-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364173;MM364173;C=C(C=NOCCC)CF;MVUWXVDYTABTIG-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364174;MM364174;C#CCCCCN(O)C=N;QDZFPAOTVXWQEB-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364175;MM364175;C=C(C=CC#N)C(C)CO;GUJQVBKBACMUDK-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364176;MM364176;C#CCCCCN(C)N=C;FUJIOPCSWXOPDS-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364177;MM364177;C#CC=CC(=C)C(C)CO;RRCXLGOIASRRGR-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364178;MM364178;C#CCOCCN(N)C=N;PWXZMHMTJXIPFS-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364179;MM364179;CC=NNCCC(C)C=O;LTJDDRPRJYSUFX-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364180;MM364180;C#CCCCNN(C)C=N;FHUIMNDHGNQOSI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364181;MM364181;C=C(C=NOCOC)CN;DLGHOPSRQXFMMI-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364182;MM364182;C#CCCCNN(C)C=O;KERVJDZEGLIWMI-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364183;MM364183;COCON=CC(=O)CO;GRLQPKIAPJOFKI-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364184;MM364184;C#CCCCON(C)C=N;LVXWXSNVBDLLQM-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364185;MM364185;COCON=CC(=O)CF;RURWZDGIFYJUEC-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364186;MM364186;C#CCCCON(C)C=O;QPDOGJRZKUSRHA-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364187;MM364187;CCCON=CC(=N)NC;KLIMQQYUCUQHOZ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364188;MM364188;C#CC(N)CCCCCO;MWYKXARMLUXHHX-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364189;MM364189;CNC(=N)C=NOCCO;PRUZLDNNYJCDDA-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364190;MM364190;C#CC(N)CCCCCF;OLNWMLXUGXXGLC-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364191;MM364191;C#CC(C)C(C=O)ON=C;HLJPKEOQYMXHEW-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364192;MM364192;C#CC(F)CCCCCF;IEHZSNGJZPDWTA-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364193;MM364193;CNN=C(C#N)NOC=O;OJPFPWHFOKCKTB-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364194;MM364194;C#CC(C)CCCNCC;ITSTVXIRSXUCOC-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364195;MM364195;C=CC1=C(C)C(O)C(=C)C1;VARNAITYXOIXKO-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364196;MM364196;C#CC(F)CCCNCC;MZAZBTFCHLDTLI-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364197;MM364197;CCCON=CC(=O)NO;SCXUXHSYVKDPOY-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364198;MM364198;C#CC(C)CCCOCC;XLUXJPXQRFOZJF-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364199;MM364199;NCCON=CC(=O)NO;LYVFEPJXKLDRTR-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364200;MM364200;C#CC(N)CCCOCC;PKYVMICGHGKIMW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364201;MM364201;O=C(C=NOCCF)NO;DIXFEOYURFAYDH-UHFFFAOYSA-N;150.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364202;MM364202;C#CC(O)CCCOCC;VOMVGNGQTSZAGQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364203;MM364203;C#CC(CF)N(C=N)N=C;OKJBPVNEJMTPQT-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364204;MM364204;C#CC(C)CCNCCC;IJRLGFOVFNKBKP-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364205;MM364205;C=C(C=NOCCC)OC;DPYFJZKCPZXKSW-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364206;MM364206;C#CC(C)CCNCCF;HDMFBICWSZQQRU-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364207;MM364207;CCCON=CC(=O)OC;XIAYUMVCCCPGJU-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364208;MM364208;C#CC(N)CCNCCN;CBIDDJLZBVVTRQ-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364209;MM364209;COC(=O)C=NOCCN;ZKGRGWNJIPBQOF-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364210;MM364210;C#CC(O)CCNCCO;IUSSQGQJVYVXLY-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364211;MM364211;C=C(C=NOCOC)OC;AUPWJGGYWNTYTL-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364212;MM364212;C#CC(F)CCNCCC;YRFZBNFYQIQEQA-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364213;MM364213;C#CC(C)CCOCCC;DOYIPPMYFKGRLQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364214;MM364214;C=CCCC=CC(=C)CC;CGVGJAOHJZNFRL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364215;MM364215;C#CC(C)CCOCCO;GTXVTFMLLFCALA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364216;MM364216;C=C(C=CCCC=O)CC;LAZGMOLEKUOOFL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364217;MM364217;C#CC(C)CCOCCF;WEPHFQOTKKQJEP-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364218;MM364218;C=CCCC=CC(=C)CN;CLHQQJOCYRZUBT-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364219;MM364219;C#CC(N)CCOCCN;ZROCZSNYKSYPRL-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364220;MM364220;C=C(C=CCCC#N)CO;ISCDLOXBTAJLQX-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364221;MM364221;C#CC(N)CCOCCO;GTWVHLHJLLXJDE-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364222;MM364222;C=C(C=CCCC=O)CF;ZQSYQJBGWRALKT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364223;MM364223;C#CC(N)CCOCOC;JKIDJLXBQKFVHO-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364224;MM364224;C=CCCC=CC(=O)CC;NIOWICGPWYVSSC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364225;MM364225;C#CC(F)CCOCOC;LYPCHVHNSJVDBS-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364226;MM364226;CCC(=O)C=CCCC=O;PVTSOZNZRFRIOB-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364227;MM364227;C#CC(N)CNCCCF;QALRYBGBERUPKF-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364228;MM364228;N#CCCC=CC(=O)CO;GKSVFUKAJCPXMU-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364229;MM364229;C#CC(O)CNCCCC;SWAGGWLBJQXZQZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364230;MM364230;O=CCCC=CC(=O)CF;VFQBJYDZIFNNRD-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364231;MM364231;C#CC(O)CNCCCF;NARBCJPQNQARBM-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364232;MM364232;C=C(C=CCNC=N)CN;LCKULMBQCBOZHL-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364233;MM364233;C#CC(F)CNCCCC;SYWXSBYZVVWIKE-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364234;MM364234;C=C(C=CCNC=O)CN;YLYWIGGSCQCJNE-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364235;MM364235;C#CC(C)COCCCF;IMVAYWSZSHZKQQ-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364236;MM364236;C=CC(CO)CC=CCC;VVAMWDWJRFKSDY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364237;MM364237;C#CC(N)COCCCN;ZGGKITCMQVMWCQ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364238;MM364238;C=CC(CO)CC=COC;IQYXOXOVFWGRGC-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364239;MM364239;C#CC(N)COCCCO;FSFLAIKLOLJDRA-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364240;MM364240;C=NOCC=CC(=C)CN;UPIRSYMMCAUXPQ-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364241;MM364241;C#CC(N)COCCCF;PVVMFPSBKWIUIZ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364242;MM364242;C=NOCC=CC(=C)CF;QUSVAIRFHGBLMZ-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364243;MM364243;C#CC(O)COCCCN;VNBHHEXETYFQAU-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364244;MM364244;C=CCCC=CC(=N)NC;UZQZJSRVRPBEBF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364245;MM364245;C#CC(C)COCCOC;UPFIOKOTLAVNDF-UHFFFAOYSA-N;142.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364246;MM364246;CNC(=N)C=CCCC#N;CPZLNDQQLIXGFF-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364247;MM364247;C#CC(N)COCCOC;MUBKZWYXGYGCHK-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364248;MM364248;N#CCCC=CC(=N)NO;DJVQQLWSMFLQRJ-UHFFFAOYSA-N;139.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364249;MM364249;C#CC(O)COCCOC;CMMXBTBZJXCAFK-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364250;MM364250;C=CCCC=CC(=O)NO;IGNQZZMQTQYXGJ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364251;MM364251;C#CC(F)COCCOC;WUIHOSBSNGKMQA-UHFFFAOYSA-N;146.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364252;MM364252;C=CC=CCC(C=C)CO;WUVIOLVPKDAQEK-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364253;MM364253;C#CC(C)COCOCC;YDOFQAFHJYQGMU-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364254;MM364254;C=NNCC=CC(=N)NC;NOVVIQOOCKNAPH-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364255;MM364255;C#CC(N)COCOCC;VVBAQNRFMCEEIC-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364256;MM364256;C=NNCC=CC(=N)NN;LRUDEUQMMZAKEN-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364257;MM364257;C#CC(F)COCOCC;OECIIZWYJVFIEL-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364258;MM364258;C=NNCC=CC(=N)NO;ZNGWSFJJGXRQFF-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364259;MM364259;C#CC(C)NCCCCO;BWOZOKRMXGWPMS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364260;MM364260;C=COCC=CC(=N)NC;SUCXXCRDTFNBKT-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364261;MM364261;C#CC(C)NCCCCF;MTHZIEUFQDIAMZ-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364262;MM364262;C=COCC=CC(=N)NN;QSERVMFXAKUCDI-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364263;MM364263;C#CC(C)OCCCCC;WLRRHFWVMXZATC-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364264;MM364264;C=COCC=CC(=N)NO;FQTLQEIPROSVQS-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364265;MM364265;C#CC(C)OCCCCO;VRGAGODAQSYZHN-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364266;MM364266;C=CC(CO)CC=CC#N;SIGUOXDRASYSIN-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364267;MM364267;C#CC(C)OCCCOC;REPNNAFHCMXWFT-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364268;MM364268;C=NOCC=CC(=N)NC;UTFGPEFIZWWXJH-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364269;MM364269;C#CC(C)OCCOCC;FEBYXJDIGDUROP-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364270;MM364270;CCC(C=O)ON=CC=O;SYQXZDFETNZTBI-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364271;MM364271;C#CC(C)OCOCCO;HJJYJBHVUQKBHL-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364272;MM364272;C#CC=CCC(C=C)CO;RIMHLVSYKLSUSZ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364273;MM364273;C#CC(C)CCCCC#N;VXOAJTKRHYVSIF-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364274;MM364274;C=NNCC=CC(=C)OC;NVNCUXXMTUWSSH-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364275;MM364275;C#CC(N)CCCCC=C;AWNHHOBQDMYZSQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364276;MM364276;C=NOCC=CC(=C)OC;RFUFXUMGKWSXEQ-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364277;MM364277;C#CC(O)CCCCC=O;BUNQCDVQBQVWHD-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364278;MM364278;C=CCNC=CC(=O)CC;MQMBDTMADXVBBF-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364279;MM364279;C#CC(F)CCCCC=C;ODVSUJHPICRVEY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364280;MM364280;C=CCNC=CC(=O)CO;ZONHSOHAMHRENO-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364281;MM364281;C#CC(F)CCCCC#N;JCIBUGVPQKBYLL-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364282;MM364282;N#CCNC=CC(=O)CO;DSVROQOKCZYORS-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364283;MM364283;C#CC(N)CCCNC=N;MJJQGNJVTZYPFQ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364284;MM364284;N=CNNC=CC(=O)CF;HAOUDUZTIZVMLM-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364285;MM364285;C#CC(O)CCCNC=O;RCNMIDZNHXZESS-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364286;MM364286;N#CCNC=CC(=N)NO;VIKOUGYOUJHXTP-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364287;MM364287;C#CC(C)CCNCC=C;IEAFLGJSGVGLOJ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364288;MM364288;C=C(C)C1=CCC(CO)C1;LFAHGWBVPPGBRG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364289;MM364289;C#CC(N)CCNCC=C;XWELSUWILZBQMH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364290;MM364290;N#CCNC=CC(=O)NO;RDGBQRQEPKYFEE-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364291;MM364291;C#CC(O)CCNCC=C;LFCMKFCGJUKPLE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364292;MM364292;N=CNNC=CC(=N)NN;URFPIZOMJLNGFL-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364293;MM364293;CN=CNN=COCC#N;CQUJQAVEOYQUST-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364294;MM364294;N=C(C=CNNC=O)NN;JFLXYAXLRWEFPK-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364295;MM364295;C#CC(F)CCNCC=C;NYFHGAWCKSPARC-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364296;MM364296;CNC(=O)C=CNNC=O;IIYVJULCVVRECG-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364297;MM364297;C#CC(C)CCOCC=C;KRMOBRJOHDXCLJ-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364298;MM364298;C=CCNC=CC(=O)OC;VKOUUGSQUFJZMH-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364299;MM364299;C#CC(C)CCOCC=O;MZXIZSDNOZDRPW-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364300;MM364300;COC(=O)C=CNCC=O;KKJQKVHULXHRCL-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364301;MM364301;C#CC(N)CCOCC=C;ITDPQLIJDVJHBH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364302;MM364302;C=CCOC=CC(=C)CO;PUMCZTKMGDNKJE-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364303;MM364303;C#CC(O)CCOCC=C;XIHJAERRZYXCBB-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364304;MM364304;C=C(C=COCC#N)CF;PYTNKGIPYHXKJA-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364305;MM364305;C#CC(O)CCOCC=O;UVAADMYOOGOTEX-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364306;MM364306;N#CCOC=CC(=O)CO;SCEWVNVWEVHHDB-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364307;MM364307;C#CC(O)CCOCC#N;CCVOMTBWFXJCJG-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364308;MM364308;C=CCOC=CC(=N)NC;COYFLGGTYUEVLR-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364309;MM364309;C#CC(F)CCOCC=C;MUKBLPVHSKXGKC-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364310;MM364310;CN=C(N)C=COCC=O;CQSLEZUVALNJJL-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364311;MM364311;C#CC(F)CCOCC#N;IDIOETRCDNCISY-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364312;MM364312;CNC(=O)C=COCC#N;XDSYKLLZOSFZCP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364313;MM364313;C#CC(C)CCONC=N;JYQOVICSTQRTJN-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364314;MM364314;C=C(C=COCC#N)OC;QPOHXAJHDLVMPX-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364315;MM364315;C#CC(F)CCONC=N;WKYLNDPXVIFPFS-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364316;MM364316;C=CCOC=CC(=O)OC;XQSNHTPOBBPJBR-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364317;MM364317;C#CC(C)CNCCC=C;PABJANCTOLEJAP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364318;MM364318;C=CCNN=CC(=C)CC;GZXYXFVFCOGWIY-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364319;MM364319;C#CC(C)CNCCC=O;CZGWYQVZPDRZQZ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364320;MM364320;C=CCn1ncc(NC)n1;UXKGUSATSROYDI-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364321;MM364321;C#CC(N)CNCCC=C;HYNAIPSQKIDYBO-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364322;MM364322;C=CCNN=CC(=C)CF;KFVPWHGIKSEFSQ-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364323;MM364323;C#CC(F)CNCCC=C;IIVLFGBNNUJOEF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364324;MM364324;C=CCNN=CC(=O)CO;GDVBRCKGIFIAPJ-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364325;MM364325;C#CC(F)CNCCC#N;YBZKWLFOBLQZLT-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364326;MM364326;C=CCNN=CC(=C)OC;TUDULRBSHSAXDZ-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364327;MM364327;C#CC(C)COCCC#N;OHXBWWOAQQXRIN-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364328;MM364328;C=CCON=CC(=C)CC;NNJAQVJTSPUOPF-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364329;MM364329;C#CC(N)COCCC=C;PTIMTNRLWZTZQE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364330;MM364330;C=CCON=CC(=C)CN;PYVBWCLGCCCRBC-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364331;MM364331;C#CC(O)COCCC#N;JXNXRLZYMIGPQQ-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364332;MM364332;CC=CC1=CCC(CO)C1;LALSXXPZLPKUAT-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364333;MM364333;C#CC(F)COCCC#N;QDBVNOIVQLRVRQ-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364334;MM364334;NN=CC1=CCC(CO)C1;RNGNCAOUXLZVAC-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364335;MM364335;C#CC(C)COCOC=C;SHAJSJIJLBCBGL-UHFFFAOYSA-N;140.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364336;MM364336;CCNc1c[nH]c(OC)c1;XCALVLDYIACRMN-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364337;MM364337;C#CC(N)COCOC=C;DDUBYRSBQFAQMH-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364338;MM364338;C=C(C=NOCC#N)CF;YCALXSVCRBLDKE-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364339;MM364339;C#CC(N)COCOC=O;LYXCFXCSNXVOSW-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364340;MM364340;C#CCc1c[nH]c(NC)c1;VWLFJCIVEJXZBC-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364341;MM364341;C#CC(F)COCOC=C;UKBLTMXXVPBONM-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364342;MM364342;N#CCON=CC(=O)CO;GTOJAMQMASHWQH-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364343;MM364343;C#CC(F)COCOC=O;KZFGFVVIMASQTO-UHFFFAOYSA-N;146.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364344;MM364344;C=CCON=CC(=O)CF;GMNDHVJIBTTZLK-UHFFFAOYSA-N;145.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364345;MM364345;C#CC(C)COCON=C;UOHSKGLXDUKPRT-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364346;MM364346;C=C1C(CC)C=CC1CO;QLORVPGUMPHPDB-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364347;MM364347;C#CC(N)COCON=C;RSMOWSWMIHEHPH-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364348;MM364348;C#CC1C=CC(CO)C1=C;SGEIILPOJAISQX-UHFFFAOYSA-N;134.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364349;MM364349;C#CC(C)OCCCC=O;DDCHODIXGAOGCV-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364350;MM364350;C=CCON=CC(=O)NO;VZOHCUMDVWZZKC-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364351;MM364351;C#CC(C)OCCCC#N;YEUGFAZXWDXMTJ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364352;MM364352;N#CCON=CC(=O)NO;HXESHDPNRDWOEL-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364353;MM364353;C#CC(C)OCCNC=N;IHUBEIMZIHZPSX-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364354;MM364354;C=C(C=NOCC#N)OC;GAEQFVIIQQMCJX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364355;MM364355;C#CC(C)OCCNC=O;OCIFPMFHJQFFQY-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364356;MM364356;C#CCCC=CC(=C)CC;FPFXNRFFIVVXKN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364357;MM364357;C#CC(C)OCCOC=C;NCDAMMKSQWZOOF-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364358;MM364358;C#CCCC=CC(=C)CO;QBBGGNIVYLSWKF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364359;MM364359;C#CC(C)OCCON=C;UZMOFKUCSFHNHK-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364360;MM364360;C#CCCC=CC(=O)CO;SHTJSOIVJCFCNT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364361;MM364361;C#CC(C)OCONC=N;LWPGMBHLAJIAHD-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364362;MM364362;C#CCCC=CC(=O)CF;OQWCCSBTNDUUTC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364363;MM364363;C#CC(C)OCONC=O;FSUPYCPKFKVIPM-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364364;MM364364;C#CCCC=CC(=N)NC;SYHRJPXQNGOGEB-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364365;MM364365;C#CCCCCC(C)C#C;JLAIBISEAKRRKT-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364366;MM364366;C#CCCC=CC(=N)NO;PULDESACNMIPDQ-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364367;MM364367;C#CCCCCC(O)C#C;GIGVEEHBMDWTRU-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364368;MM364368;C#Cc1[nH]nc(NC)c1N;QBAABLULKMKLRU-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364369;MM364369;C#CCNCCC(C)C#C;KFXMVNDMKIEULO-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364370;MM364370;C#CCCC=CC(=O)OC;AVDLJSADRDBDCH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364371;MM364371;C#CCNCCC(N)C#C;DAUSGKYZQUHOBC-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364372;MM364372;C#CCNC=CC(=O)CO;QVXPWCBGSGFGRS-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364373;MM364373;C#CCNCCC(O)C#C;OTERBBPQWDKNRZ-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364374;MM364374;C#CCNC=CC(=N)NC;RUCOFOGLSWXZIW-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364375;MM364375;C#CCNCCC(F)C#C;GDZYGGKDGLELBP-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364376;MM364376;CN1CC1CC#CCC=O;LJRSYEYEJTWEIT-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364377;MM364377;C#CCOCCC(C)C#C;QKKLACUSCDBMPQ-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364378;MM364378;C#CCOC=CC(=C)CN;HKLWVHVUTREKQC-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364379;MM364379;C#CCCNCC(N)C#C;OEMQVEJQKFAULC-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364380;MM364380;C#CCOC=CC(=O)CC;OKOZIIILROFGNI-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364381;MM364381;C#CCCOCC(C)C#C;ZIRDLQBDBMXTBH-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364382;MM364382;C#CCOC=CC(=C)OC;PFTKJVXFQSPFLT-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364383;MM364383;C#CCCOCC(F)C#C;NEHNYWYVDLSKTK-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364384;MM364384;C#CCOC=CC(=O)OC;DQNPVZKQMRLEII-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364385;MM364385;C#CCCCOC(C)C#C;WXHBJDSVPMAIDT-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364386;MM364386;C#CCNN=CC(=C)CC;JMKZEAYSRLVSAO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364387;MM364387;C#CCNN=CC(=C)CN;UHUYJYCGFGYJMP-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364388;MM364388;C#CCOCOC(C)C#C;YWXVPUKBWRZACH-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364389;MM364389;C#CCNN=CC(=N)NC;BJPCQNKBUMBFMU-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364390;MM364390;C=C(CC)CCCCCN;NGFPJMVZNJUBMM-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364391;MM364391;C#CCON=CC(=C)CC;ZUWKRPIDXBLYPE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364392;MM364392;C=C(CN)CCCCCO;QMQNAQNDRVUQLA-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364393;MM364393;C#CCON=CC(=C)CN;XCFGBTXZYKMLDU-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364394;MM364394;C=C(CO)CCCCCN;IKCPQXAPAMRZGS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364395;MM364395;C=NNCCC#CCC=O;TZXGSQKLLKFIMC-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364396;MM364396;C=C(CO)CCCCCF;SKYKGCWUGFKSOS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364397;MM364397;O=CCC#CCCN1CC1;XRSDFAFWUAENOT-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364398;MM364398;C=C(CF)CCCCCN;CLGHFIKEABNKQL-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364399;MM364399;C#CCON=CC(=O)CO;OAYKYRFBPQFYTD-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364400;MM364400;OCC1C=CC(CO)CC1;ZPMIMLPEOODBCQ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364401;MM364401;C#CCON=CC(=O)CF;UBYYROITAWTZPT-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364402;MM364402;COC1C=CC(CO)CC1;ORCYEBHQNJTXBB-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364403;MM364403;C#CCON=CC(=O)NC;PXQMWGPTZRQPHZ-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364404;MM364404;CCCCCCC(=O)CO;OGCKUGCNRAHIPG-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364405;MM364405;C#CCON=CC(=C)OC;JJJOPAVIYRISLN-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364406;MM364406;O=C(CF)CCCCCO;MTRJTOBYFJLFRM-UHFFFAOYSA-N;148.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364407;MM364407;C#CCON=CC(=O)OC;SVIUHJWVXZFQGG-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364408;MM364408;C=C(CC)CCCCNC;ZIIIVNZRITYGQY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364409;MM364409;C=CC(=C)C=CCCCC;JDRXGGNSEKDLMZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364410;MM364410;CCC(=O)CCCCNC;UEKMPPSFUDDWIK-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364411;MM364411;C=C(C=O)C=CCCCC;NLGXRQJZKVOLOW-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364412;MM364412;CNCCCCC(=O)CF;NWDPCTMISSRABS-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364413;MM364413;CN1C(C#CCF)C1C=O;PZDRIVGFWVHUAO-UHFFFAOYSA-N;141.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364414;MM364414;CCC(=O)CCCCOC;LRPHQTBAPDNXLB-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364415;MM364415;C=C1CCCC1O;GQKSJBOBUIUXGZ-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364416;MM364416;COCCCCC(=O)CO;IPCLXDNPNAWOEV-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364417;MM364417;C=C(C=O)C=CCCCF;SMXKXDFJAOOXCS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364418;MM364418;C=C(CC)CCCNCC;ITKAPVXALMQAKT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364419;MM364419;C=C(C#N)C=CCCCF;RMHIPKDKLQREND-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364420;MM364420;C=C(CF)CCCNCC;WNXNQJRPBXPWNO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364421;MM364421;C=CC(=O)C=CCCCC;MOVXKMSUOMAUMJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364422;MM364422;CCNCCCC(=O)CF;YNKXUTKSUNJZDF-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364423;MM364423;CCC1C(C)C1O;XSCFYBSMBKILQP-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364424;MM364424;C=C(CC)CCCOCC;ZGOINVRGHMOINB-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364425;MM364425;C=CC(=O)C=CCCCF;XITZRBAITJNOJE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364426;MM364426;C=C(CN)CCCOCC;YHYXHADXPOMLAQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364427;MM364427;CCCCC=CC(=O)C=O;HAGQHNARIMXSNL-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364428;MM364428;C=C(CO)CCCOCC;SRCCFZFUSQMOGQ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364429;MM364429;CCCCC=CC(=O)C#N;VDIWKEWQOMVOHK-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364430;MM364430;C=C(CF)CCCOCC;BOGALEFJRQUJPA-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364431;MM364431;O=CC(=O)C=CCCCF;IHHGIJNEKQQYHF-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364432;MM364432;CCCCCCC(=N)NC;PXWJAHXTFQQQRV-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364433;MM364433;N#CC(=O)C=CCCCF;WIAVQAKQJOWEFC-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364434;MM364434;N=C(CCCCCO)NN;VETMURWSTXCQNL-UHFFFAOYSA-N;145.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364435;MM364435;C=CC(=C)C=CCCNC;PTNSQOZUXPEQED-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364436;MM364436;N=C(CCCCCO)NO;SPJOWQFOUNSBEB-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364437;MM364437;C=C(C=O)C=CCCNC;ZEDZGVPRFIUIGW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364438;MM364438;CNC(=O)CCCCCN;BUSHYIBZUMHUEU-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364439;MM364439;C=C(C#N)C=CCCNC;CUUVRJLQXDOOKY-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364440;MM364440;C=CC1C=CC(CO)CC1;YNSCTDKEOHCSEI-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364441;MM364441;C=CC(=O)C=CCCNC;ZAJUWLDRZIUJIT-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364442;MM364442;CNC(=O)CCCCCF;WBTYKXDIZQMVJF-UHFFFAOYSA-N;147.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364443;MM364443;C=C(C#N)C=CCCOC;PHHBEDVZSDWKIB-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364444;MM364444;CC=C1C=CC(CO)C=C1;PTZWKKJZSDCPJE-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364445;MM364445;C=CC(=O)C=CCNCC;NUKJEWHCMJBSJX-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364446;MM364446;OCC1C=CC(=CF)C=C1;UVNNVMYTZRJELX-UHFFFAOYSA-N;140.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364447;MM364447;CCOCC=CC(=O)C=O;CMNKQDYHANSXJI-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364448;MM364448;CCCCCCC(=O)NO;QLMPWDWLVIWORW-UHFFFAOYSA-N;145.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364449;MM364449;C=CC(=O)C=CNCCC;OLUSGBOYVKOTPL-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364450;MM364450;O=C(CCCCCF)NO;ZULKQGPJJGBNAB-UHFFFAOYSA-N;149.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364451;MM364451;O=CC(=O)C=CNCCO;UMKDZYAWSKRUAV-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364452;MM364452;CNCCCCC(=N)NC;PDMFMOZTLLGNBH-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364453;MM364453;C=CC(=C)C=COCCC;KDSQMGURXKDOLH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364454;MM364454;CNCCCCC(=O)NC;NPXVXINCWGSABO-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364455;MM364455;C=CC(=C)C=COCCN;LLRUHVZYHTWJHB-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364456;MM364456;CCC1=NN=C(NN)ON1;SBQAQAZIUNICDL-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364457;MM364457;C=CC(=C)C=COCCO;RVSMTDFZXYNAFX-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364458;MM364458;COCCCCC(=O)NO;ODYZSWSPRKQITD-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364459;MM364459;C=C(C#N)C=COCCO;XPPGMNROJKMAHA-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364460;MM364460;CCNCCCC(=N)NC;BGYLUDCDAATESO-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364461;MM364461;C=CC(=O)C=COCCO;UWTFOPHRXWKJNR-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364462;MM364462;CCNCCCC(=N)NO;MZWYVXZRBIEFDP-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364463;MM364463;C=CC(=C)C=COCOC;MWSDHFOHIYPSOD-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364464;MM364464;CCNCCCC(=O)NC;INKBEEGEFUOHAU-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364465;MM364465;CC1(C)NN=CC1=O;RRBJOCLFDLRTTF-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364466;MM364466;CCNCCCC(=O)NO;GQMRNLCTIFUOQS-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364467;MM364467;C=CC(=C)C=NNCCF;LPCKEIZCDCGRDH-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364468;MM364468;CCOCCCC(=N)NC;CDBQGJQNBYIOGJ-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364469;MM364469;C=C(C=O)C=NNCCC;RSSQBMFYRBPUIB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364470;MM364470;OCC1C=CCC1;LMYOLOWXQDLHKQ-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364471;MM364471;CNc1cnc(C)o1;NPBHEDJIPOYDBA-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364472;MM364472;CCOCCCC(=O)NO;LXLQFRAPUZTVHE-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364473;MM364473;CC(C)C1CC1(C)CO;GRUIYUVEGYXLFK-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364474;MM364474;CC#CCCC(C)O;GDTBEBCJWDXQIF-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364475;MM364475;CC(C)CC1(CO)CC1;QPABQBCGEKNMQI-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364476;MM364476;COC(=O)CCCCCF;LQPIFFDGZYPEAQ-UHFFFAOYSA-N;148.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364477;MM364477;C=CCC(O)CC#CC;BQDWISQKMVHRGN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364478;MM364478;C=C(CCCCNC)OC;SQWONHYHUARBAM-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364479;MM364479;C=CC(=C)C=NOCCC;QDAXBVQPZLVBAJ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364480;MM364480;C=C(CCCOCC)OC;HJLOZKNRKZFTJV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364481;MM364481;CCON=C(C)CC#N;YOUQKNRLLXEHJB-UHFFFAOYSA-N;126.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364482;MM364482;C=C(CC)CCNCCC;PDKUOXQUWVXYFH-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364483;MM364483;C=C(C#N)C=NOCCC;IBQZRAKNLXWGNU-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364484;MM364484;C=C(CC)CCNCCF;KWZXUDYHJYKLQI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364485;MM364485;C#CCC(O)C(=C)CC;JEXFZLBBIDOFPC-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364486;MM364486;C=C(CN)CCNCCN;BBGWNAZRPRBQSM-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364487;MM364487;C=CC(=O)C=NOCCC;ATPVRXVLMSRIFP-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364488;MM364488;C=C(CO)CCNCCN;DDPQTQRRTVHHCD-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364489;MM364489;C=CC(=C)C=NOCOC;HMKZCMMBCPMYBA-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364490;MM364490;C=C(CF)CCNCCC;KUIVBTOUGIZAKM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364491;MM364491;C=C(C#N)C=NOCOC;YFIMBSRTJFUEBJ-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364492;MM364492;C=CCCC=CC(=C)C=C;MXSHSXLATRKRQX-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364493;MM364493;C=C(CF)CCNCCF;ZNBZEPIWNSDVJY-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364494;MM364494;C=CC(=C)C=CCCC=O;YEWVDHHSUYVOOH-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364495;MM364495;CCCNCCC(=O)CC;BNZKFNVLQOFLJX-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364496;MM364496;C=CC(=C)C=CCCC#N;GVOLKYNWIXBXFD-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364497;MM364497;CCC(=O)CCNCCO;JIJKMUAMTBNLPS-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364498;MM364498;C=CCCC=CC(=C)C=O;WIVOYYLTKHBNDZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364499;MM364499;CCCNCCC(=O)CF;GUINSYZNXXKSBE-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364500;MM364500;C=CCCC=CC(=C)C#N;DJCIKRDZGZLTJZ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364501;MM364501;CCCNCCC(=N)NC;ILWPJQRKLNBEBN-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364502;MM364502;C=C(C=O)C=CCCC=O;KPBNFVIUZYMKII-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364503;MM364503;CCCNCCC(=N)NN;TXSLJRNWFRGBHC-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364504;MM364504;C=C(C#N)C=CCCC=O;PNEFMCCNLYXBNT-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364505;MM364505;CCCNCCC(=N)NO;FGWWNCHYEVADGO-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364506;MM364506;C=C(C=O)C=CCCC#N;CZESGTMNMBETPU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364507;MM364507;CCCNCCC(=O)NC;RRELTSVUBDBKNH-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364508;MM364508;C=CCCC=CC(=O)C=C;DULQTBVXNKXDEP-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364509;MM364509;CNC(=O)CCNCCN;YCFBVGXDBFPWLT-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364510;MM364510;C=CC(=O)C=CCCC=O;CYZGUZBBXUGTBN-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364511;MM364511;CCCNCCC(=O)NN;UUMCSACTDOPSKK-UHFFFAOYSA-N;145.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364512;MM364512;C=CC(=O)C=CCCC#N;ZHHMGZDJKCCBNW-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364513;MM364513;O=C(CCNCCO)NO;HUBQWWVYAXDDFW-UHFFFAOYSA-N;148.16;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364514;MM364514;C=CCCC=CC(=O)C=O;FWEVDNJZTWNLCB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364515;MM364515;C=C(CCNCCC)OC;XUPZYTSAXTZJGQ-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364516;MM364516;C=CCCC=CC(=O)C#N;OKVGAOYQQOCNDW-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364517;MM364517;C=C(CCNCCN)OC;ANVYZZXPECPZIJ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364518;MM364518;O=CCCC=CC(=O)C=O;KVONLXMLKIRKBP-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364519;MM364519;C=C(CCNCCF)OC;ZEQBBPDCHDERNB-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364520;MM364520;N#CCCC=CC(=O)C=O;WBYXVIIPGMJYLM-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364521;MM364521;COC(=O)CCNCCN;HJBAJYUJRZGNGI-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364522;MM364522;C=C(C#N)C=CCNC=O;AWVBUPYDBDEHIH-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364523;MM364523;C=C(CC)CCOCCO;KQLSVTWJFQUVTG-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364524;MM364524;N#CC(=O)C=CCNC=N;CPEBFHXMZYXOCP-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364525;MM364525;C=C(CO)CCOCCO;SWWZZDXZCXLTNS-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364526;MM364526;N#CC(=O)C=CCNC=O;IEKFSWSSDKIIMT-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364527;MM364527;CCC(=O)CCOCCF;MTLGBDXJVGTANO-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364528;MM364528;C=CC(=O)C=CCNN=C;HYQMNHBHIMINIC-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364529;MM364529;O=C(CO)CCOCCO;ANQNSGNIVTUXBD-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364530;MM364530;C=CC(=O)C=CNCC#N;DWXBVLJSSNVUMD-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364531;MM364531;CCCOCCC(=O)CF;UKHLFGWNGDGGSU-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364532;MM364532;C=CCNC=CC(=O)C#N;DNAKWGKATDZYCZ-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364533;MM364533;O=C(CF)CCOCCO;PCICQIZAMOQUOZ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364534;MM364534;N#CC(=O)C=CNCC=O;XNMFSTWWAJZBGK-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364535;MM364535;C=C(CC)CCOCOC;GUCPGOSVMQRBEM-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364536;MM364536;N=CNNC=CC(=O)C=O;MMVZSLISDSIYDL-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364537;MM364537;C=C(CN)CCOCOC;MZMNSOUGUAZUIG-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364538;MM364538;O=CNNC=CC(=O)C=O;DAETYCQPUWOJRL-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364539;MM364539;CCC(=O)CCOCOC;BEUXIPDNDAROQD-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364540;MM364540;C=CC(=C)C=COCC#N;QSOVHYVIZOSMFA-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364541;MM364541;COCOCCC(=O)CO;OBGLBNPHKVVADZ-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364542;MM364542;C=C(C#N)C=COCC=O;UHNQEVHGBHWKDR-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364543;MM364543;CNC(=N)CCOCCN;FNNCPKZONCPYPU-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364544;MM364544;C=C(C#N)C=COCC#N;UUEAEORSCLOKBY-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364545;MM364545;CNC(=N)CCOCCO;MIJFHHNHMOCTGV-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364546;MM364546;C=CCNN=CC(=C)C=C;WMVIVHOYQKPSII-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364547;MM364547;N=C(CCOCCO)NN;IOKHLWXVWSREBF-UHFFFAOYSA-N;147.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364548;MM364548;C#CCC(O)C(C)=CC;MXBSXWBGMZSLPZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364549;MM364549;N=C(CCOCCN)NO;SUOSENHUPKQGHK-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364550;MM364550;C=CCNN=CC(=C)C=O;WVIJLTQNGQKXEA-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364551;MM364551;N=C(CCOCCO)NO;VZCJNCLUSLYNJV-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364552;MM364552;O=CCCCC1(O)CC1;SNJDQTHEOLFLHR-UHFFFAOYSA-N;128.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364553;MM364553;CNC(=O)CCOCCN;GIGHIPFQELMXDO-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364554;MM364554;CC1(CO)CC1CC=O;IHOQPBUDZSBSOB-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364555;MM364555;CNC(=O)CCOCCO;PRYFCSWGDRDVRI-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364556;MM364556;C=CC1(O)CC1CCC;DAGBWARRFXSCOV-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364557;MM364557;C#CC1C(O)C1(C)C;DCPMBZOBBOLJQL-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364558;MM364558;C=C(CCC)C1(O)CC1;KSCRNPQEFWDHSE-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364559;MM364559;CC1(C)CN1CC=O;BKZWORXUBOXSNW-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364560;MM364560;C=CCON=CC(=C)C=C;PGTCURLIMIQAID-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364561;MM364561;CCCOCCC(=O)NO;AYRIQRPDGIJFEN-UHFFFAOYSA-N;147.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364562;MM364562;C=C1C(C)=CC2(O)CC12;PYIALPQXTSYGRX-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364563;MM364563;COCOCCC(=N)NN;GSLPTKCSRKEGFD-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364564;MM364564;C=CC(=C)C=NOCC#N;NVWBZFHPVCDNJZ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364565;MM364565;COCOCCC(=N)NO;IHOMXOWNTITCSN-UHFFFAOYSA-N;148.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364566;MM364566;C=CCON=CC(=C)C=O;CFLHRSMBPOZWEE-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364567;MM364567;C=C(CCOCCO)OC;AFCKDHPBMAYJSU-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364568;MM364568;C=CCON=CC(=C)C#N;GUBAAVKVTHAFQC-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364569;MM364569;CCCOCCC(=O)OC;DMHHINXESLPPMV-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364570;MM364570;C=CC(C=O)CN1CC1;WJKUKCBRXGBZSC-UHFFFAOYSA-N;125.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364571;MM364571;COC(=O)CCOCCO;CQAKPCZOXXRLJA-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364572;MM364572;C=CCON=CC(=O)C#N;UQYIDOYTKNUZPR-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364573;MM364573;C=C(CC)CNCCCC;NCBWJOOYIOBPFF-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364574;MM364574;C#CCCC=CC(=C)C=C;VKLVTURCHZWDDD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364575;MM364575;C=C(CC)CNCCCO;NDWPERRISRZOIT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364576;MM364576;C#CCCC=CC(=C)C=O;YXJBWLGDWMJRBY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364577;MM364577;C=C(CC)CNCCCF;RHVBNIGJAIARNM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364578;MM364578;C#CCCC=CC(=O)C=O;UCDABBUFQOHCRZ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364579;MM364579;C=C(CN)CNCCCN;HPLHFLUVFOFNIY-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364580;MM364580;C#CCCC=CC(=O)C#N;IWPSPOXHAJDRMD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364581;MM364581;C=C(CO)CNCCCC;GUKSYCOERGQMGS-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364582;MM364582;C#CCOC=CC(=C)C=C;XZUXUMNSQMZLJP-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364583;MM364583;C=C(CO)CNCCCN;KBKBXBOGZCNSDB-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364584;MM364584;C#CCOC=CC(=C)C=O;HGWSGCYPYPBERP-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364585;MM364585;C=C(CF)CNCCCF;FZRFKCFMNFVRSE-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364586;MM364586;C#CCOC=CC(=C)C#N;UQKWFVWGPHFZHW-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364587;MM364587;CCCCNCC(=O)CC;NTTSCPVMWVGING-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364588;MM364588;C#CCOC=CC(=O)C=C;LSWISLROLPWMNR-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364589;MM364589;C=C(CO)CNCCNC;DIMJUAURNZDFBT-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364590;MM364590;C#CCNN=CC(=C)C=C;FHDVRTGSLMWWAU-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364591;MM364591;C=C(CC)CNCCOC;OCHDOPZBTCRACJ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364592;MM364592;O=CC12CCC(=O)C1N2;WMEZGRKNEGODAZ-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364593;MM364593;CNC(=N)CNCCCN;GLCZCUHSFUCFFL-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364594;MM364594;C#CCON=CC(=C)C=O;VWNNJSBTSJWDBZ-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364595;MM364595;CCCCNCC(=N)NN;LOEAXBRCKFFJTI-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364596;MM364596;C#CCON=CC(=O)C=O;RCRCWFVWSMQSIB-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364597;MM364597;C#CCON=CC(=O)C#N;NMCMOKALUYRWFE-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364598;MM364598;CCCCNCC(=N)NO;XFFDUNABPPRMEW-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364599;MM364599;C#CC(=C)C=CCCCC;DVECJIRNSNBXTO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364600;MM364600;CNCCNCC(=N)NC;MQUWKHZCWKPYAI-UHFFFAOYSA-N;144.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364601;MM364601;CC1(CO)CC1C1CC1;OMHBHIYHGHBWQC-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364602;MM364602;CNCCNCC(=N)NN;PNGOXJUDMLLQHG-UHFFFAOYSA-N;145.21;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364603;MM364603;C#CC(=O)C=CCCCC;OYATWZWWOLKLGQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364604;MM364604;CNCCNCC(=O)NC;QYKCYCHYUSPYHK-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364605;MM364605;C#CC(=C)C=CCCNC;FIUWJXTZOFTSSQ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364606;MM364606;C=C(CNCCCN)OC;FKXDDODPJLQYIJ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364607;MM364607;C#CC(=O)C=CNCCC;QAZUCVIVDSPSPK-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364608;MM364608;C=C(CNCCCF)OC;KTUIBEGDFOFSBB-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364609;MM364609;C#CC(=O)C=CNCCO;DRJHPWQFODIRHQ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364610;MM364610;COC(=O)CNCCCN;GSXFBBHEJFPWHP-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364611;MM364611;C#CC(=O)C=CNCCF;XLUKABKCJDTXMX-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364612;MM364612;C=C(CNCCNC)OC;FHNSPECWDSGBIE-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364613;MM364613;C#CC(=C)C=COCCC;LPYLPLFTNHVZSI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364614;MM364614;C=C(CC)COCCCC;JIHOUIBKEXBKTG-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364615;MM364615;C#CC(=C)C=COCCN;NAJMJUCHJZRCQQ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364616;MM364616;C=C(CC)COCCCO;OIJDMNJRGBXLIB-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364617;MM364617;C#CC(=C)C=COCCO;SSRSRMUGRNWSMW-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364618;MM364618;C=C(CC)COCCCF;YHVWESWEDOXNBS-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364619;MM364619;C#CC(=O)C=COCCC;MOZJWLKLWPONOX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364620;MM364620;C=C(CN)COCCCC;HRNRVTMMPMYUFF-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364621;MM364621;C#CC(=C)C=COCOC;XBBGWSSJJYZVDD-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364622;MM364622;C=C(CO)COCCCC;NXNMJVWCBKDRBN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364623;MM364623;C#CC(=C)C=NNCCC;GSEVGCBGJJNKOU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364624;MM364624;C=C(CF)COCCCC;QSYIWZUIGZDDNJ-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364625;MM364625;C#CC(=C)C=NNCCN;VPCSBIZZRVEYMX-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364626;MM364626;C=C(CF)COCCCO;DLZVRCADQDQXOI-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364627;MM364627;C#CC(=C)C=NNCCF;RNGQNLYREGNRNK-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364628;MM364628;O=C(CO)COCCCF;UBUFWYDTJMDZHU-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364629;MM364629;OCC1(CC2CC2)CC1;JUJPFPVWKFAVFU-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364630;MM364630;CCC(=O)COCCNC;QGUMNOVNPHALPV-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364631;MM364631;C#CC(=C)C=NOCOC;ILCRZAKSFOFWOE-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364632;MM364632;CNCCOCC(=O)CF;SAAMOZFFIDTGGH-UHFFFAOYSA-N;149.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364633;MM364633;C#CC(=C)C=CCCC=C;UCETWVNECVHKFO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364634;MM364634;C=C(CN)COCCOC;UUVDICXWGFPTPP-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364635;MM364635;C#CC(=C)C=CCCC=O;UHJHEAKCTAMZBV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364636;MM364636;C=C(CN)COCOCC;GGLQGOLOCVXMBI-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364637;MM364637;C#CC(=C)C=CCCC#N;PJYXNRYCTGRYSP-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364638;MM364638;C=C(CF)COCOCC;UWRXMODYZMRYEQ-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364639;MM364639;C#CC(=O)C=CCCC=C;VHNPKCIDJRMWTN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364640;MM364640;CCOCOCC(=O)CC;CADTYQPVCOVVQF-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364641;MM364641;C#CC(=C)C=CCNC=N;HNWOQLGVSZWDFA-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364642;MM364642;CNC(=N)COCCCN;TWDFNBODGPRCRW-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364643;MM364643;C=C(C#N)CC(C)(C)CO;IMVNMORBRUNZFR-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364644;MM364644;CNC(=N)COCCCO;ZTGMONVNKLFYPO-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364645;MM364645;C=NNC(=NN)C(F)(F)F;LYYKYTZYPAJXEQ-UHFFFAOYSA-N;154.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364646;MM364646;N=C(COCCCO)NO;LZKREUDDOVKKGR-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364647;MM364647;CCC(C)(O)CCCC=O;LZRGNBNDSYVRNX-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364648;MM364648;CCCCOCC(=O)NC;WVHZVMCSDYBTBR-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364649;MM364649;C#CC(=O)C=CNCC=O;MSTAKDFDIFKJSW-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364650;MM364650;CNC(=O)COCCCN;GRFNHDCXPWSLEP-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364651;MM364651;C#CC(=C)C=COCC=O;CQWFCQVZSXTGFQ-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364652;MM364652;CNC(=O)COCCCO;JAPXTTNPZMQROC-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364653;MM364653;C#CC(=C)C=COCC#N;AFUHWTABRARQSB-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364654;MM364654;C=Cc1cc(N)no1;HIOYOZOMTHPPOM-UHFFFAOYSA-N;110.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364655;MM364655;C#CC(=C)C=NNCC=C;DSABRNSGKFAGMG-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364656;MM364656;CNCCOCC(=N)NC;VVHCUPQJGVBHCV-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364657;MM364657;CC=CC(O)CCCC=O;UTXKKQFFBIHBIK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364658;MM364658;CNCCOCC(=N)NN;PLRYBFBINCPBIX-UHFFFAOYSA-N;146.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364659;MM364659;C=NN=CC=C(C)CC=O;OSTXPILHRBVFNO-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364660;MM364660;CNCCOCC(=O)NC;ZNVLTVWGZRPDQL-UHFFFAOYSA-N;146.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364661;MM364661;C=NN(C=N)C(=O)C(C)=O;ZAYPLHHRTYHZOQ-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364662;MM364662;CNCCOCC(=O)NN;ANDCBMKSNTVLQK-UHFFFAOYSA-N;147.18;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364663;MM364663;C#CC(=C)C=NOCC=C;OYBSWHXRNDPJFP-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364664;MM364664;CNCCOCC(=O)NO;GYPGJYWVRUAFDL-UHFFFAOYSA-N;148.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364665;MM364665;C#CC(=C)C=NOCC#N;BRUUHVVOODVNGM-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364666;MM364666;COCCOCC(=N)NN;JRQAFZARFRACPK-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364667;MM364667;C#CCCC=CC(=C)C#C;VVJCZHIOLSWHTL-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364668;MM364668;COCCOCC(=N)NO;BXXXLVZCXDLSKQ-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364669;MM364669;C#CCCC=CC(=O)C#C;ADFZKVCGRGDXQV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364670;MM364670;CC1C(C)N1CC=O;DCRXKORDQVZSOR-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364671;MM364671;C#CCNC=CC(=O)C#C;ZEELYAQCAJZLAS-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364672;MM364672;COCCOCC(=O)NO;GSVVYJYRZHADBO-UHFFFAOYSA-N;149.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364673;MM364673;C#CCOC=CC(=C)C#C;AEAIZULQGHTBLI-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364674;MM364674;CCOCOCC(=N)NN;BHEWHRHAFYNYJC-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364675;MM364675;C#CCOC=CC(=O)C#C;KUGYTROGWDJTOV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364676;MM364676;CCOCOCC(=N)NO;BAORZGVLEKVSRK-UHFFFAOYSA-N;148.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364677;MM364677;C=C(C)C(O)CCCC=O;ABUUYNPQAUOKRR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364678;MM364678;C=C(COCCCN)OC;YPORUVKZLTZGSK-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364679;MM364679;C#CCON=CC(=C)C#C;JAHFTSCOMQWGMN-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364680;MM364680;COC(=O)COCCCO;BBNXBGRTTMGCRS-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364681;MM364681;CC=CCC=CC(C)CC;UILRDSRRIMBJCQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364682;MM364682;CCC(=N)NCCCCF;MQIDFJVGJDNYLL-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364683;MM364683;CCC(C)C=CCC=CF;KWRSGXIKADZKHY-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364684;MM364684;N=C(CN)NCCCCN;DPKCUBQNZGKKGA-UHFFFAOYSA-N;144.22;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364685;MM364685;CC=CCC=CC(C)CN;BKJZXJPTDKLTNN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364686;MM364686;CCCCCNC(=N)CO;NGDVSOJICICTDF-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364687;MM364687;CC(C=CCC=CF)CN;WABYERWMUDTRFW-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364688;MM364688;N=C(CO)NCCCCO;SJRVNHPKWQLDBV-UHFFFAOYSA-N;146.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364689;MM364689;C=C(CC=O)C(=C)C(C)O;DLNUIWXEDGWOPQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364690;MM364690;CCC(=O)NCCCCN;RZMQKWFQBLCSSI-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364691;MM364691;CC=CCC=CC(C)CF;RURFCNUGLOTRBN-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364692;MM364692;O=C(CO)NCCCCO;CWSYIPMVNYAKIY-UHFFFAOYSA-N;147.17;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364693;MM364693;CC(C=CCC=CF)CF;UYVXKPUGNDKFSF-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364694;MM364694;O=C(CF)NCCCCO;XEIZBUDWELOPSR-UHFFFAOYSA-N;149.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364695;MM364695;CC=CCC=CC(N)CN;WGFZZCCLINYHSK-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364696;MM364696;CNCCCNC(=N)CN;NIIQMFGPDBHXAS-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364697;MM364697;CC=CCC=CC(N)CO;NXXQQLRARHDRHK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364698;MM364698;COCCCNC(=O)CF;RDEPAMUIOOIMJR-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364699;MM364699;NC(C=CCC=CF)CO;LWLHCIAVPLLWRX-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364700;MM364700;CCNCCNC(=N)CF;KZSOOCLORPLYBO-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364701;MM364701;CC=CCC=CC(N)CF;GBOMTGHVWVNIKA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364702;MM364702;CCNCCNC(=O)CC;WZDLUDKTCLTXKU-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364703;MM364703;NC(C=CCC=CF)CF;HDERFAPIEFIRKG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364704;MM364704;CCOCCNC(=N)CC;PFQBCMCDROONLE-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364705;MM364705;CC1CC1(O)CCCC=O;IGSLPFRNENULQP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364706;MM364706;CCOCCNC(=N)CN;JAIPSJVYOOQJBG-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364707;MM364707;CC=CCC=CC(O)CN;YHCJGTVYAUTHNZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364708;MM364708;CCOCCNC(=N)CO;IDLJBOHPYTZCEG-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364709;MM364709;NCC(O)C=CCC=CF;QABSNXNNSHYCBR-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364710;MM364710;CNC(=N)NCCCCN;CEZLGLLDSAKBNX-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364711;MM364711;CC=CCC=CC(O)CO;STCQXCSMBSOJJI-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364712;MM364712;CNC(=N)NCCCCO;OTUNHDDEYODBQQ-UHFFFAOYSA-N;145.21;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364713;MM364713;CC=CCC=CC(O)CF;XYVVPOLJCCTSGQ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364714;MM364714;CCCCCNC(=O)NC;GMALRFFLCMWBEZ-UHFFFAOYSA-N;144.22;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364715;MM364715;CC=CCC=CC(F)CN;IQKWURKQFJIPRW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364716;MM364716;CNCCCNC(=N)NC;LVTZMUVXFFKKFZ-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364717;MM364717;CC=CCC=CC(F)CO;VOHVFQRCFIFMJQ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364718;MM364718;CNC(=N)NCCCOC;NUUHUIWYVWBXDI-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364719;MM364719;CCC(C)C=CCC=NN;CUHPHBIICZQTRO-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364720;MM364720;CCNCCNC(=N)NO;RTZFBUQIXKTWLY-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364721;MM364721;CC(=O)C1CC(C=O)N1C;DPPJMMUPURMSBC-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364722;MM364722;CC(C=CCC=NN)CF;VEIXYASVORFMLG-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364723;MM364723;CCNCCNC(=O)NN;WRRLNPAORUQVSD-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364724;MM364724;NC(C=CCC=NO)CO;BFEWJKMOXPPMAL-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364725;MM364725;CCOCCNC(=N)NC;DEEIDZRYJKHSRM-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364726;MM364726;CNN=C(NOC)C(C)=O;PANGETYLTFXVEU-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364727;MM364727;CCOCCNC(=O)NC;OWHWCTOATGLIDL-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364728;MM364728;NCC(O)C=CCC=NO;MTCMDQRMJJXJAV-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364729;MM364729;CCOCCNC(=O)NO;UWUIWLONQYYVIJ-UHFFFAOYSA-N;148.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364730;MM364730;CNC(C)C=CCC=CF;ONNRJDLQSBAQGH-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364731;MM364731;COCCCNC(=N)OC;BNCVFZUFCPDNFF-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364732;MM364732;CC=CCC=CC(C)OC;ASZRELXCSNJKHD-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364733;MM364733;COCCCNC(=O)OC;QTGZUPBOAQBWOV-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364734;MM364734;CCC(C)C=CN=CNC;CFBWOGYYYCIHMA-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364735;MM364735;CCNCCNC(=O)OC;HAFMULGEFCVRRL-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364736;MM364736;CCC(C)C=CN=CNN;CXCAIQKSTLQGQB-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364737;MM364737;CCC(=N)NNCCCN;WSDAPCOUAWGQSV-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364738;MM364738;CCC(N)C=CN=CNC;LWPKEECRNZUPLS-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364739;MM364739;O=CCN1CC1CF;XNZXZNQBKIEGRH-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364740;MM364740;CCC(N)C=CN=CNO;AYHOQFDDVUNWTB-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364741;MM364741;CC(O)CC(C)CC#N;REUUWVHKNDXLPB-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364742;MM364742;CCC(O)C=CN=CNN;NPBGRLVDRZSNCA-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364743;MM364743;CCC(=N)NNCCNC;HMZZSVAMHAYZEU-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364744;MM364744;NCC(F)C=CN=CNO;SBYVGJIHLDCQQS-UHFFFAOYSA-N;147.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364745;MM364745;CNCCNNC(=N)CO;XMCMRSRZRNRJMD-UHFFFAOYSA-N;146.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364746;MM364746;C=CCC1=CC2(O)CC1C2;PZFIXVVMVCSWQL-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364747;MM364747;CCC(=N)NNCCOC;MEOFUOIDJZQCDV-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364748;MM364748;CN=CNC=CC(C)NC;QYMYIHHBRVAOHL-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364749;MM364749;COCCNNC(=N)CO;FAIZFWNSMLTMTO-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364750;MM364750;CC=COC=CC(C)CN;ARESDBHJJZUWQA-UHFFFAOYSA-N;141.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364751;MM364751;CC(C)CC1(C)CC1O;NEOLZYYURCCCDJ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364752;MM364752;CC=COC=CC(C)CF;PWKSTQHTZMXZJZ-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364753;MM364753;CNC(=N)NNCCCO;CCJVUSGPZKHJHL-UHFFFAOYSA-N;146.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364754;MM364754;CC=COC=CC(N)CO;ZOYFCHONGPXJAG-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364755;MM364755;CNC(=O)NNCCCN;HOZWARDKINGWCW-UHFFFAOYSA-N;146.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364756;MM364756;NC(C=COC=CF)CO;PVTGMBVTFYQOOG-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364757;MM364757;C=CC(C)(O)C=CCC;LXOKJSDDNVSTHM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364758;MM364758;CC=COC=CC(N)CF;YLCVQBAOQXFVAD-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364759;MM364759;O=C(NO)NNCCCO;PLYWWLZUJPSKIP-UHFFFAOYSA-N;149.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364760;MM364760;CC=COC=CC(O)CC;WLBBKWLKSDJQLB-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364761;MM364761;CNCCNNC(=O)NC;NBMPYCHGKKXQBO-UHFFFAOYSA-N;146.19;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364762;MM364762;CC=COC=CC(F)CN;CHAPXBKABMPIOX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364763;MM364763;CNC(=N)NNCCOC;MJWRFBAEIATYRO-UHFFFAOYSA-N;146.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364764;MM364764;NCC(F)C=COC=CF;RYXRKBNPLZIFRE-UHFFFAOYSA-N;149.14;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364765;MM364765;COCCNNC(=N)NO;DDWHYDAOZGUMDP-UHFFFAOYSA-N;148.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364766;MM364766;CC=COC=CC(F)CO;AGRWTYFQZMVOIZ-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364767;MM364767;C=CC(C)(C=C)CCO;OZSMTNHXYSUOLE-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364768;MM364768;OCC(F)C=COC=CF;SDQJAHDTOODACY-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364769;MM364769;CC#CCN(C)CC=O;JMVBYDOFRWFADY-UHFFFAOYSA-N;125.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364770;MM364770;C#CC(C)(C#C)C(C)CO;MDYPVNUYZQAOPF-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364771;MM364771;COCCNNC(=O)NO;FESLICWWPOWIEE-UHFFFAOYSA-N;149.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364772;MM364772;NCC(N)C=COC=NO;BJIXGBHAEJGEHV-UHFFFAOYSA-N;145.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364773;MM364773;C#CC(=C)C1(C)CC1O;CRKPHKPOWBLHSZ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364774;MM364774;NC(C=COC=NO)CO;YPBGFQAUQWOYHT-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364775;MM364775;NCC(O)C=COC=NO;VVOOVVPLTZEZDI-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364776;MM364776;CCC(=N)NOCCCN;PVKJATZKBCLBFI-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364777;MM364777;CCC(=N)NOCCCO;BGXUJCYOGVXCAU-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364778;MM364778;CCC(C)C1CC1(C)CO;HJRFOJBCRCXZJY-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364779;MM364779;N=C(CO)NOCCCO;PIKKJFMDDQSTMT-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364780;MM364780;OCC(O)C=COC=NO;OAYQJSLJWIYTLK-UHFFFAOYSA-N;147.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364781;MM364781;CCCCONC(=O)CC;YTOSBHPLGATADD-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364782;MM364782;ON=COC=CC(O)CF;SEUMMWYNGRQAGG-UHFFFAOYSA-N;149.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364783;MM364783;CCC(=O)NOCCCO;LNKUJWHHYUIXNE-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364784;MM364784;C#CC(C#N)NN(C)C=O;JWIDYQIFFJUREA-UHFFFAOYSA-N;137.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364785;MM364785;COCCONC(=N)CO;FUFKKWAJVJKCBT-UHFFFAOYSA-N;148.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364786;MM364786;CC=COC=CC(C)NC;NTBNGYWPYSXZSZ-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364787;MM364787;CCC(=O)NOCCOC;AMMPWRMXSGPOHQ-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364788;MM364788;CNC(C)C=COC=NO;SFHQKPJQAMOOFR-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364789;MM364789;O=C(O)C(O)C(=CF)CF;IYZDVQAQVCWVPF-UHFFFAOYSA-N;152.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364790;MM364790;CC=COC=CC(C)OC;HDYHYWQTBYJAKC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364791;MM364791;CCOCONC(=N)CF;FOKYMKHCXBGWSX-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364792;MM364792;CCC(C)CC1(CO)CC1;HGVGXRKNBTVDBP-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364793;MM364793;CCC1(C(=O)NOC)CO1;BGLWZLVQGVCQQS-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364794;MM364794;COC(C)C=COC=NO;LUNTXLZJGKHQMN-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364795;MM364795;CNC(=N)NOCCCO;OEEMJKCRRFYVTF-UHFFFAOYSA-N;147.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364796;MM364796;CC(CF)CC1(CO)CC1;WCHJYFHYOVLLIB-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364797;MM364797;N=C(NN)NOCCCO;UOTFPUSSLJWKOU-UHFFFAOYSA-N;148.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364798;MM364798;C=CC1(O)CC1CCCC;TXFDZCLDZHEVMN-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364799;MM364799;N=C(NO)NOCCCN;ZCLJDFLRJJTIAX-UHFFFAOYSA-N;148.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364800;MM364800;CN=CNN=CC(C)CN;DOMQLZFXGXYTFS-UHFFFAOYSA-N;142.21;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364801;MM364801;CNC(=O)NOCCCN;XUBCYLBGCPRXMJ-UHFFFAOYSA-N;147.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364802;MM364802;C=C(CCCC)C1(O)CC1;NGOBINOINJIGOR-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364803;MM364803;CNC(=O)NOCCCO;VXNQBGYZPAZATN-UHFFFAOYSA-N;148.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364804;MM364804;CC=CC(C=O)NN=CC;INCHGSZBBKEABR-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364805;MM364805;O=C(NO)NOCCCO;KDQKARWTVAFLOX-UHFFFAOYSA-N;150.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364806;MM364806;C=CC(C=O)CN1CC1C;LFUFNPVPUZLKTC-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364807;MM364807;CNCCONC(=N)NN;IQRZGSIMBOYYLM-UHFFFAOYSA-N;147.18;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364808;MM364808;NCC(N)C=NN=CNO;PHZYMOMVLFQHBI-UHFFFAOYSA-N;145.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364809;MM364809;CNCCONC(=N)NO;SNSQHBPTNRPCHA-UHFFFAOYSA-N;148.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364810;MM364810;C#Cc1c[nH]c(NCC)c1;LVYMUOXEOLTSPT-UHFFFAOYSA-N;134.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364811;MM364811;CNCCONC(=O)NC;CHUKFEBCTMBCDL-UHFFFAOYSA-N;147.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364812;MM364812;CC1CC1C1CC1(C)CO;FBUWEVBWFUGXEZ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364813;MM364813;CNCCONC(=O)NN;GWHZNICGYBLGAX-UHFFFAOYSA-N;148.17;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364814;MM364814;ON=CNN=CC(O)CF;HAMSZYQLYZNGEW-UHFFFAOYSA-N;149.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364815;MM364815;CNCCONC(=O)NO;FMUKPWBTUMMENM-UHFFFAOYSA-N;149.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364816;MM364816;CC1(CO)CC1C1CC1F;FTHYRUONQZNKMA-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364817;MM364817;CNC(=N)NOCCOC;YFPFYXIDGRWXJT-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364818;MM364818;C#CC1(CO)CC2CC2C1;DNRYOGYPDNFRRW-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364819;MM364819;COCCONC(=N)NN;ULCVSVCVGRIVHC-UHFFFAOYSA-N;148.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364820;MM364820;CC1CC1CC1(CO)CC1;UBWHUMSUBHYFGK-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364821;MM364821;COCCONC(=N)NO;XULMXIVOIGGCPF-UHFFFAOYSA-N;149.15;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364822;MM364822;CC(C=NOC=NO)CO;AWWWRBOBUQBDDT-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364823;MM364823;CNC(=O)NOCCOC;RJNMMMFSROEBDR-UHFFFAOYSA-N;148.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364824;MM364824;OCC1(CC2CC2F)CC1;PHXAQUOAIZLCFO-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364825;MM364825;COCCONC(=O)NN;QJQJSLUAMVXYBT-UHFFFAOYSA-N;149.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364826;MM364826;NCC(O)C=NOC=NO;UTTLNGYRRHEBFG-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364827;MM364827;COCCONC(=O)NO;XKNGQPGNRFOBFP-UHFFFAOYSA-N;150.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364828;MM364828;NN=CON=CC(O)CO;AQNPROOGZXDHLO-UHFFFAOYSA-N;147.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364829;MM364829;CCOCONC(=N)NC;HFUUQWJBXLZTDS-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364830;MM364830;OCC(O)C=NOC=NO;WNGGRIQHERVALV-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364831;MM364831;CCOCONC(=N)NN;DSJYTNVFKPKKJN-UHFFFAOYSA-N;148.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364832;MM364832;CCOCONC(=O)NN;HYJVHEUJIAYODL-UHFFFAOYSA-N;149.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364833;MM364833;CC(CN)NC=NC=CF;ALJLVIQFWMIGPI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364834;MM364834;CNCCONC(=N)OC;MWLZZCBHLLGJRU-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364835;MM364835;CC=CCN=CN(N)CC;DOZPVZPEORYCQT-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364836;MM364836;C=C(CC)OCCCCN;QIUIJJLLPGOWTO-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364837;MM364837;CCN(N)C=NCC=CF;MYSZIGDGLIMAPM-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364838;MM364838;NCCCCOC(=O)CN;QACROGCDLIFEKS-UHFFFAOYSA-N;146.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364839;MM364839;CC=CCN=CN(C)NC;NCHASKPITGMREQ-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364840;MM364840;O=C(CO)OCCCCO;ZUQCWGUPMPWQOV-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364841;MM364841;CNN(C)C=NCC=CF;AEGTUUYHOCTPEG-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364842;MM364842;NCCCCOC(=O)CF;QLMXLUGSFPDAQV-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364843;MM364843;C#CC1=C(C)C(CO)CC1;YSKWBFYZRLUSPK-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364844;MM364844;O=C(CF)OCCCCF;LEKDTQSIHNCPSE-UHFFFAOYSA-N;152.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364845;MM364845;C#CC1COC(C#N)=C1N;NBIYJPGRBFHYBG-UHFFFAOYSA-N;134.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364846;MM364846;C=C(CN)OCCCNC;BBHZRBCPJBVXJA-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364847;MM364847;CCC1CC2C(O)C2C1C;HNROFLISSSPDAJ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364848;MM364848;C=C(CO)OCCCNC;OKJBVFMFJNIBFX-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364849;MM364849;C=CC(O)C1CC1;VPBHQZFFRSKYPB-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364850;MM364850;CNCCCOC(=O)CO;QFXSAZGXNGUHMQ-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364851;MM364851;C=C(C)C(O)C(=C)C;ZIJURIQJZDTFEO-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364852;MM364852;COCCCOC(=O)CO;MNCBWDBOMGONAJ-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364853;MM364853;Nc1coc(CF)n1;JSNUFDMIJADIAO-UHFFFAOYSA-N;116.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364854;MM364854;C=C(CN)OCCNCC;YUMLLRVRVYXWLY-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364855;MM364855;CC(C)(O)CCCC=O;JUVVKENSCDKWRI-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364856;MM364856;C=C(CO)OCCNCC;GKOWOPKCONONKI-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364857;MM364857;C=CC(O)CC(C)CC;OTIVEEYNXXSVMX-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364858;MM364858;CCNCCOC(=O)CC;WCSVHHUQGWJGSP-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364859;MM364859;CC(C=O)N=C(N)CF;UDWBTQNQIZGBGJ-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364860;MM364860;CCNCCOC(=O)CO;UCAJHXNFXMJJJU-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364861;MM364861;CCN(O)C=NOC=NO;YLSCGWSJKGDZOM-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364862;MM364862;C=C(CC)OCCOCC;YKSGCKAZSWGRMH-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364863;MM364863;C=CC(C)C=CCC=CC;AZIQRTOSRSADER-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364864;MM364864;C=C(CO)OCCOCC;ZAGHRKYCTHKTAH-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364865;MM364865;C=CC(C)C=CCC=CF;KVEBXPLOYOUXKU-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364866;MM364866;CNC(=O)OCCCCO;YXQFSRDVBYXCIW-UHFFFAOYSA-N;147.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364867;MM364867;CC=CCC=CC(C)C=O;PKSUTKMSTPSFNG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364868;MM364868;CNC(=O)OCCCCF;HKXZNVHRGDEIJW-UHFFFAOYSA-N;149.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364869;MM364869;CC=CCC=CC(C)C#N;KBDSXGSVKDJVIQ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364870;MM364870;CC(C)CC1C(C)C1O;XSFSZCVPQDNGRP-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364871;MM364871;CC(C=O)C=CCC=CF;GPGPHHXORMGXAN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364872;MM364872;CNC(=O)OCCCOC;HOOIWNCVVNPVSH-UHFFFAOYSA-N;147.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364873;MM364873;CC(C#N)C=CCC=CF;USPHHUDKQDFJNM-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364874;MM364874;CCNCCOC(=N)NN;QTHQTVJISVFZSX-UHFFFAOYSA-N;146.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364875;MM364875;C=CC(N)C=CCC=CC;UQJFCZUYANHFAR-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364876;MM364876;CCNCCOC(=O)NC;FTSJHWONPRGJII-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364877;MM364877;C=CC(O)C=CCC=CC;JNDAFMZOCFLGSM-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364878;MM364878;CCNCCOC(=O)NN;OXLATHMTSBXHPW-UHFFFAOYSA-N;147.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364879;MM364879;C=CC(F)C=CCC=CC;KZEYGGGCMGUZEG-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364880;MM364880;CCOCCOC(=O)NO;YHWHVIKIVBLORA-UHFFFAOYSA-N;149.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364881;MM364881;CC(C=O)C=CCC=NO;AIJCYKYRMNVVJZ-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364882;MM364882;CCCCCOC(=O)OC;PAQGTCFSKWUKHW-UHFFFAOYSA-N;146.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364883;MM364883;C=CC(N)C=CCC=NO;RBSJGFSQUUSWNB-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364884;MM364884;COC(=O)OCCCCN;NZMDCXNJIDFFGF-UHFFFAOYSA-N;147.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364885;MM364885;CCC(C)=CC(O)CC;JJLRGJDWNNSDMJ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364886;MM364886;CCOCCOC(=O)OC;WGKIUGJYAXAESL-UHFFFAOYSA-N;148.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364887;MM364887;C=CC(C)C=CNC=NC;SQFHMLYYXTUKOP-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364888;MM364888;C=C(CC)OCOCCC;QQDRAQOQRTZIME-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364889;MM364889;CN=CNC=CC(C)C=O;IVZOGAZDDLVSAO-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364890;MM364890;C=C(CC)OCOCCF;MUSVSSDVRLREJV-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364891;MM364891;CN=CNC=CC(O)C=O;XEWBVGMKIZXCCF-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364892;MM364892;C=C(CN)OCOCCO;LOUIPNANLMZCAU-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364893;MM364893;CC=CC(O)CCCC;WGDUEFYADBRNKG-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364894;MM364894;C=C(CO)OCOCCC;VZZDWJBBHMOHOW-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364895;MM364895;C=C(C(C)O)C(C)CC;GRUXSTSKVNXLHC-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364896;MM364896;NCCOCOC(=O)CN;PXELFKJNGFTRPB-UHFFFAOYSA-N;148.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364897;MM364897;CN=CNC=CC(F)C=O;PVDNXXBRUYUVNQ-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364898;MM364898;CCCOCOC(=O)CO;LCQLPNNBKDWGPG-UHFFFAOYSA-N;148.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364899;MM364899;CCC(C)=C(C)C(C)O;GUDZMYAITCSNHJ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364900;MM364900;NCCOCOC(=O)CO;HPCKBLASEHPOOD-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364901;MM364901;CC=COC=CC(C)C=O;PMWJGJOATUCNQW-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364902;MM364902;O=C(CO)OCOCCO;LTBGFEBLAMDXAV-UHFFFAOYSA-N;150.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364903;MM364903;C=C(CN)OCOCOC;PYDKTMVWSHQUHH-UHFFFAOYSA-N;147.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364904;MM364904;CC=COC=CC(C)C#N;XDYMFHNTHFMJAO-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364905;MM364905;C=C(CO)OCOCOC;SEEIKVGEGMOOEG-UHFFFAOYSA-N;148.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364906;MM364906;CC(C#N)C=COC=CF;HUHQPLOXJZDPFZ-UHFFFAOYSA-N;141.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364907;MM364907;C=CC(N)C=COC=CC;QNWPQIMLCPYKDC-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364908;MM364908;CNC(=N)OCOCCN;BPJILFSMDMRKSG-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364909;MM364909;CNC(=N)OCOCCO;MDNNGNQEISHQLV-UHFFFAOYSA-N;148.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364910;MM364910;CC=COC=CC(O)C=O;DEXLAGMYBXJLFW-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364911;MM364911;CNC(=N)OCOCCF;JQMFKCHAMPXGBY-UHFFFAOYSA-N;150.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364912;MM364912;N#CC(O)C=COC=CF;OHIQPMBDYQUCBY-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364913;MM364913;CNC(=O)OCOCCO;JQVKDTABHZEDLP-UHFFFAOYSA-N;149.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364914;MM364914;C=CC(F)C=COC=CC;XXRHHCPZHVNFKX-UHFFFAOYSA-N;142.17;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364915;MM364915;C=CC(=O)CON=CC;LBUZQUNZYLCIPV-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364916;MM364916;CC=COC=CC(F)C=O;IIXIHMDPMPUGPE-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364917;MM364917;CCC1(C)CN1CC=O;OOAJHQOHSXTQFK-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364918;MM364918;O=CC(O)C=COC=NO;SMJPJJCIWKZEDG-UHFFFAOYSA-N;145.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364919;MM364919;CNC(=N)OCOCOC;NJVXXFDPBKJTFC-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364920;MM364920;CC=NNC=C(F)C=O;YJHDICJOBNDAJE-UHFFFAOYSA-N;130.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364921;MM364921;C#CCc1ccc(N)[nH]1;LIECMSYKSMSTHU-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364922;MM364922;C=CC(F)C=COC=NO;FHKAFSNWUGPTLV-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364923;MM364923;CCCOCOC(=O)OC;QZQKNGFIBWBAPQ-UHFFFAOYSA-N;148.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364924;MM364924;O=CC(F)C=COC=NO;FEQGXUSQMXFDFC-UHFFFAOYSA-N;147.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364925;MM364925;C=CCCCCC(=C)CC;WZBSHXPTCWCHGV-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364926;MM364926;N#CC(F)C=COC=NO;VZFZDNJJPIXNHF-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364927;MM364927;C=C(CC)CCCCC=O;OAXPEPBKNCTPHG-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364928;MM364928;C#CC1(C)C(O)C1C=C;GTGOANWPAKHIOG-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364929;MM364929;C=C(CC)CCCCC#N;VVNXOOLQEFWTFH-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364930;MM364930;C=NNC(C=O)C=CC;ZXAFMKQEGHYHLV-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364931;MM364931;C=C(CO)CCCCC#N;VYXREPRFTGWMLA-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364932;MM364932;CNN=C(C#N)NOC;RMMVXEXVUISXNX-UHFFFAOYSA-N;128.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364933;MM364933;O=CCCCCC(=O)CO;LCMGQJFTVDGLPZ-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364934;MM364934;C#CC1CC(=C)C(O)C1;YWXWSOZUHKFMQQ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364935;MM364935;C=C(CN)CCCNC=O;MUOCFLDIKUFPHG-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364936;MM364936;O=CC(O)C=NOC=NO;IRNPYDLIZUVKLO-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364937;MM364937;C=C(CO)CCCNC=N;CVUPPNHNZGNNBM-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364938;MM364938;CC=C1C=C(C)C(O)C1;YEDFAAAQSOYNIR-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364939;MM364939;C=C(CF)CCCNC=N;MUTYZXTWKYFSNN-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364940;MM364940;C=CC(F)C=NOC=NO;UWMBHNUJFGSMJB-UHFFFAOYSA-N;146.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364941;MM364941;CCC(=O)CCCN=CN;NVAGCFFORXLQKV-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364942;MM364942;C=CC(C)NC=NC=CC;RJFIWDYIDYTTSR-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364943;MM364943;C=NNCCCC(=C)CC;NTTJXNAKYLYNEH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364944;MM364944;CC=CCC=CN(C)C=O;CQAKTSNEVOLYRA-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364945;MM364945;N=CNc1cc(N)no1;LPUKBFVILZDRNO-UHFFFAOYSA-N;126.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364946;MM364946;CN(C=O)C=CCC=CF;UYPFDFUPPOKXHQ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364947;MM364947;C=COCCCC(=C)CC;DIUIXVQPOHIQMW-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364948;MM364948;CC=CCC=CN(N)C=N;JZZMNVMAAXGVLC-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364949;MM364949;C=C(CO)CCCOC=O;MLZNONQRVCPZHP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364950;MM364950;CC=CCC=CN(N)C=O;PQQXMYGYZMNWFT-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364951;MM364951;CCC(=O)CCCOC=O;LLHGFNDTHCDFFB-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364952;MM364952;N=CN(N)C=CN=CNO;PYVJSPZYWVWMCB-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364953;MM364953;O=COCCCC(=O)CO;MBNDPHVAZBWGLH-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364954;MM364954;CC=COC=CN(C)C=N;VOXTWTHYYOPMGT-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364955;MM364955;C=NOCCCC(=C)CC;LRUMDXCANJYWEY-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364956;MM364956;CN(C=N)C=COC=CF;VVWNVJUMJHSSSM-UHFFFAOYSA-N;144.15;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364957;MM364957;CN=C(N)CCCCC=O;FFVMCMUCDRSFTR-UHFFFAOYSA-N;142.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364958;MM364958;CC=COC=CN(C)C=O;ZIDBILDEJIJQGA-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364959;MM364959;CNC(=N)CCCCC#N;JTPYMIZAXVKUSW-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364960;MM364960;CC=COC=CN(N)C=N;FLFMAZILWPANNA-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364961;MM364961;C=CCCCCC(=N)NO;UNGYQNODWQHMTP-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364962;MM364962;CC=COC=CN(N)C=O;YQYHSXGCGKEFEW-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364963;MM364963;CC1(CC2CC2)CC1O;FARYXVHZNFRDHY-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364964;MM364964;N=CN(N)C=COC=NN;WIZPCBYVYNYMDI-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364965;MM364965;C=CC1NC(C=O)C1F;VWEIATBUHZSLBT-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364966;MM364966;N=CN(N)C=COC=NO;PQKJBQVPPCJVEQ-UHFFFAOYSA-N;144.13;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364967;MM364967;C=CCCCCC(=O)NO;USYWPZFYRUSBEU-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364968;MM364968;C=CN(C)C=NCC=CC;CTLBZQVXKXSJKZ-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364969;MM364969;O=CCCCCC(=O)NO;NDUYJRXAEVRHDG-UHFFFAOYSA-N;145.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364970;MM364970;C=CN(C)C=NCC=CF;ZKPJIUYXQZIAOD-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364971;MM364971;CNC(=N)CCCNC=N;ZEMDWVZWNQUMKC-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364972;MM364972;NN(C=O)C=NCC=CF;NQWJMBJZWIBAGB-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364973;MM364973;C=NNCCCC(=N)NC;TVMLYZDOROAQGJ-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364974;MM364974;CN(C=O)C=NCC=NN;PKBUBBHSLSGJFM-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364975;MM364975;C=NNCCCC(=N)NN;CWXZODILJCNCMW-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364976;MM364976;C=C1C=C(C(C)O)CC1;OHCKJQRASVQLGH-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364977;MM364977;CC=C1C=CC(O)C1C;XSVDRJFFWVHFQJ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364978;MM364978;C=NNCCCC(=N)NO;DKAJQJJRGVIQTB-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364979;MM364979;C#CCC(O)CC=C(C)C;NUQAGMCPHMWWIG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364980;MM364980;CNc1n[nH]c(C)c1C;SARKUXSGOQUHSM-UHFFFAOYSA-N;125.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364981;MM364981;C=CC(O)CC(C)CCF;RTPWGKPQTYXFAX-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364982;MM364982;C=COCCCC(=N)NC;CPFWGXWWGBZLHE-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364983;MM364983;CC(CC=O)CN(C)C=O;UJXWUANBRRNOLZ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364984;MM364984;CNC(=N)CCCOC=O;ICRHVUKJFUTYRC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364985;MM364985;CCCC(C)=CC(O)CC;QELFKHUBMKGFHF-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364986;MM364986;C=COCCCC(=O)NC;ZTVFNYABMRSAEX-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364987;MM364987;CCC(O)C=C(C)CCF;XSTJUPZOAARYNI-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364988;MM364988;CC(F)C1CN1CC=O;HMJBOHQQVYVOMA-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364989;MM364989;CN(C=O)C=NOC=NO;VYGJAFPDNMTWIX-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364990;MM364990;C=COCCCC(=O)NO;JYEKPPSQVHDOHH-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364991;MM364991;NN(C=O)C=NOC=NO;KWPBUCRNBCAMLB-UHFFFAOYSA-N;146.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364992;MM364992;C=NOCCCC(=N)NN;AQBBNYCGMHNDJB-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364993;MM364993;CCCC=CC(O)CCC;AGJGJUGBPXOLEG-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364994;MM364994;C=NOCCCC(=N)NO;MIECIBLPMMHHHR-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364995;MM364995;C#CC(=C)C(C=C)CO;CDEKGZDZKIAHPV-UHFFFAOYSA-N;122.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364996;MM364996;N=CN(O)C=NOC=NO;SWSLYNVAPKOBBW-UHFFFAOYSA-N;146.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364997;MM364997;C=CCCCCC(=O)OC;RCMPWMPPJYBDKR-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364998;MM364998;C=NN(C)C=NOC=NO;FKLCASGERWJDME-UHFFFAOYSA-N;144.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM364999;MM364999;C=C(CCCNC=N)OC;KMONUFSWTPUWJN-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365000;MM365000;CC=CCC=NN(C)C=N;LAXJJMYUHJMKRP-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365001;MM365001;C=COCCCC(=C)OC;YRYKLIPDHHPAJH-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365002;MM365002;CC=CCC=NN(C)C=O;XQOCZNCGIHEGDH-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365003;MM365003;C=C(CCCOC=O)OC;HRZPGDMJLIWQSG-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365004;MM365004;CN(C=O)N=CCC=CF;VHDFABZNKALUOD-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365005;MM365005;CN(C=N)N=CCC=NN;WFOKRKOIIFZOKN-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365006;MM365006;C=NOCCCC(=O)OC;MMJDFZQOPJQVIP-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365007;MM365007;CCCC(O)C=CCCF;VCDOJSFULOXUSG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365008;MM365008;C=CCNCCC(=C)CN;HYVBNBNWCHKXIP-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365009;MM365009;CC=COC=NN(C)C=N;FAISSGVQUWUUPZ-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365010;MM365010;C=CCNCCC(=O)CC;CCPSJZMZQVVPMF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365011;MM365011;C=C(C(C)O)C(C)CCF;UVKGNQBDKPERCR-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365012;MM365012;CC#CCC(CC)CO;NTKVHJKNIGOHRS-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365013;MM365013;CCC=C1C=C(C)C(O)C1;KYOCRCUENXLYOI-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365014;MM365014;C=CC1C=CC(CO)C1;LNSUXBQVMKIPRO-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365015;MM365015;CN(C=O)N=COC=NO;KLVCJGZQXMFRRE-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365016;MM365016;C=C(CC)CCNNC=N;DOEWLQXOGPWMPI-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365017;MM365017;C#CC(C)C=CCC=CC;BAEPOYQEVZBQTR-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365018;MM365018;O=CC1C=CC(CO)C1;RNPOHHSTLUDDPE-UHFFFAOYSA-N;126.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365019;MM365019;C#CC(N)C=CCC=CC;PGYOMCBPMVMHAL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365020;MM365020;CNC(=N)CCNCC#N;LETJCIJKYCTEML-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365021;MM365021;C#CC(N)C=CCC=CF;ZTCBESKIKUJBSZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365022;MM365022;N#CCNCCC(=N)NO;PAMKGVKTUDDAJG-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365023;MM365023;C#CC(O)C=CCC=CC;MZQIUDNZUZVQJU-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365024;MM365024;C#CC1=CCC(CO)C1;VLPKKDOCVYUKFX-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365025;MM365025;C#CC(O)C=CCC=CF;NIIMDEIRYHDRLD-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365026;MM365026;C=CCNCCC(=O)NN;ZGICJCZUGCLNAW-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365027;MM365027;C#CC(C)C=CN=CNN;QKOGLKLIEHSQFI-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365028;MM365028;CNC(=N)CCNNC=N;CWTJTWPRYAJSEU-UHFFFAOYSA-N;143.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365029;MM365029;C#CC(C)C=COC=CC;XOWBGEKLYUFJHB-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365030;MM365030;C=CC1=CC(CO)CC1;FMTBHHRTNQSZMD-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365031;MM365031;C=CCNCCC(=C)OC;WBDDSHFWHKDQQF-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365032;MM365032;C#CC(N)C=COC=CC;IRDAUTDVEVSKIU-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365033;MM365033;C#CC(O)C=COC=CC;OLUQMRKRIORFFO-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365034;MM365034;C=C(CCNCC#N)OC;TWQYDPOTKFGBQW-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365035;MM365035;C#CC(O)C=COC=CF;GTXGHKQRJFOVFT-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365036;MM365036;COC(=O)CCNN=CN;QSINZUOZVWWESQ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365037;MM365037;CC1(CO)C=CC(C#N)C1;PMVIVBRAAAEJBS-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365038;MM365038;C=CCOCCC(=C)CC;WPBWLOMXDGJKKU-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365039;MM365039;C#CC(C)C=COC=NO;LYVTVSGEKWPYCH-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365040;MM365040;C=C(CC)CCOCC#N;FNABTZOAMRKZJK-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365041;MM365041;C#CC(N)C=COC=NO;NJOKMPZKENVNFC-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365042;MM365042;C=CCOCCC(=C)CO;BCVQNPFDSUTZHS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365043;MM365043;CC1(C=O)CC(C=O)=NN1;NNVGLPFDLQOBQX-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365044;MM365044;C=CCOCCC(=C)CF;VAKOHCYSVUMZEV-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365045;MM365045;C#CC(F)C=COC=NO;DITKFTCLCZVZPJ-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365046;MM365046;C=C(CF)CCOCC#N;KRNSAZVELVORHO-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365047;MM365047;CC=NOC(C)OCC=O;DISAZJHMIAMAEI-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365048;MM365048;C=CCOCCC(=O)CC;RNSHVPQDKBTCFT-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365049;MM365049;CNN=C(NC)C(=O)C#N;CMWMNIALBBWHQZ-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365050;MM365050;C=C(CC)CCONC=N;RIOJFBIHKOQSND-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365051;MM365051;CC(O)C1=CC(=CF)CC1;GBZPTPIDPMNHPE-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365052;MM365052;C=C(CN)CCONC=N;AUMHFCCOEUBNOU-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365053;MM365053;C#CC(O)C=NNC=NO;KIOQMFUFVGWXFW-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365054;MM365054;C=C(CO)CCONC=N;SZRGOEXAWLHATF-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365055;MM365055;C#CC(O)C=NOC=NO;TVOVWPHAZPBFJS-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365056;MM365056;CCC(=O)CCONC=O;FGAQERMDPCNRIH-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365057;MM365057;CC#CC1CC(C=O)N1C;IRAKNVBZGZVIHM-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365058;MM365058;N=CNOCCC(=O)CF;CYMXABXCHPZDFM-UHFFFAOYSA-N;148.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365059;MM365059;C=C(C=CCC=CC)CC;KLRLTMDFFYWNKE-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365060;MM365060;CN=C(N)CCOCC=O;YDMZZFLZUIXCHV-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365061;MM365061;C=C(C=CCC=CC)CN;JMJHBKKJTLQDEB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365062;MM365062;C=CCOCCC(=N)NO;UWPCWGBBIVGEET-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365063;MM365063;C=C(C=CCC=CF)CN;XOHFDNJLJMHZKA-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365064;MM365064;O=CC1=CC(CO)CC1;JXLHGUZPIGQCIX-UHFFFAOYSA-N;126.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365065;MM365065;C=C(C=CCC=CC)CO;FOHNVDOXEBMWGQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365066;MM365066;N#CCOCCC(=N)NO;SLPIHBJKLIZLBU-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365067;MM365067;C=C(C=CCC=CC)CF;VKZRXBMCZWWEED-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365068;MM365068;CNC(=O)CCOCC=O;KDPIVXOWPNMWIM-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365069;MM365069;CCC(=O)C=CCC=CF;MVLNUAWHWYZXDH-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365070;MM365070;CNc1cc(OC)c[nH]1;GVCXMZKPDCBEPG-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365071;MM365071;CC=CCC=CC(=O)CF;NWGYPNDCEPJQAQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365072;MM365072;N#CCOCCC(=O)NO;VBLSKHPISYNGPJ-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365073;MM365073;O=C(C=CCC=CF)CF;QQIZYOARJTZZOL-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365074;MM365074;CNC(=N)CCONC=O;CAXYFTYHUVJZGV-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365075;MM365075;C=C(C=CCC=NO)CN;ZHQLGBAUZNPYPK-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365076;MM365076;N=CNOCCC(=N)NN;BJXQTNKTDAMTHA-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365077;MM365077;C=C(C=CCC=NO)CO;LFHHCAOCIYANSU-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365078;MM365078;CNC(=O)CCONC=O;LQOASYUKOPVXKD-UHFFFAOYSA-N;146.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365079;MM365079;CCC(=O)C=CCC=NO;URUVEBWTOKRUDD-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365080;MM365080;C=CCOCCC(=C)OC;BAOMQXVOHSQIJO-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365081;MM365081;CC=CCC=CC(=N)NN;BKGAVNOCFZPOCN-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365082;MM365082;C=C(CCOCC#N)OC;IHECDXKEWNQHND-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365083;MM365083;CC=CCC=CC(=N)NO;UILIWMGCYBWOGE-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365084;MM365084;C=CCOCCC(=O)OC;ZAVRODBWULSJSI-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365085;MM365085;N=C(C=CCC=CF)NO;CQSDEANIPLTCIT-UHFFFAOYSA-N;144.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365086;MM365086;C=C(CCONC=O)OC;REZBTFOSLDNNAZ-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365087;MM365087;CC#Cc1[nH]nc(N)c1N;SDQRMHVAODIJHV-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365088;MM365088;C=CCCNCC(=C)CC;CWWPGFXORCLJGJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365089;MM365089;CC=CCC=CC(=O)NO;FXOIXPNKZUTZPQ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365090;MM365090;C=C(CC)CNCCC=O;DSSYAKLPULOHAY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365091;MM365091;N=C(C=CCC=NO)NO;BZESGSLBHWHQFB-UHFFFAOYSA-N;143.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365092;MM365092;C=CCCNCC(=C)CO;IAKPIVRFTFMGRC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365093;MM365093;C#CC(C=O)N1CC1C=O;HARQMJIPPYOGJE-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365094;MM365094;C=CCCNCC(=C)CF;LPEOTFKNPRRDHC-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365095;MM365095;NNC(=O)C=CCC=NO;YUKNBUXVZABYIJ-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365096;MM365096;C=CCCNCC(=O)CC;PNGWNUGVQKGGOI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365097;MM365097;C=C(C=CN=CNO)CN;HIJVRVNFBWPKKP-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365098;MM365098;C#CC(=C)C1C(C)C1O;RLZJOLJFRGGKSP-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365099;MM365099;CN=CNC=CC(=O)CO;ODISVHSIRLWUKG-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365100;MM365100;CNC(=N)CNCCC#N;IMZBKEPSBBWGGQ-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365101;MM365101;N=C(C=CNC=NN)NN;WUBRFULDGMWAES-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365102;MM365102;C=CCCNCC(=N)NN;CQDIHGFXDYMIOJ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365103;MM365103;N=C(C=CNC=NN)NO;WDNAGWISGWOQCI-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365104;MM365104;C=CCCNCC(=N)NO;IKSOCXSIQLQNEC-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365105;MM365105;O=C(C=CNC=NO)NO;KVNXXGOKWRHVNP-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365106;MM365106;N#CCCNCC(=N)NO;FGGUKHDGDGMWMV-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365107;MM365107;C=C(C=CN=CNN)OC;HRKCKFHEIJDDQY-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365108;MM365108;C=CCCNCC(=O)NN;QILACAHNLVIJTD-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365109;MM365109;C=C(C=COC=CC)CN;SAQURTMKJFBNKO-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365110;MM365110;COC(=O)CNCCC#N;GWBTUTBQZWQICM-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365111;MM365111;CC=COC=CC(=O)CC;DJRSJFGTXQZGPV-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365112;MM365112;C=C(CC)COCCC=O;GVCLMNULTZBHJW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365113;MM365113;C#CC#CCNN=CC=O;CKEGAEMEUREUSS-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365114;MM365114;C=C(CC)COCCC#N;RLGBCOQQJXXQOX-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365115;MM365115;CC=COC=NNCC#N;MTRCMKQESCLCNG-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365116;MM365116;C=CCCOCC(=C)CO;OCUPNEGHRURAJO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365117;MM365117;C=C(C=COC=NO)CO;SSDDYPCVTKWKQH-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365118;MM365118;C=C(CO)COCCC=O;OODQFMODXOXOGU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365119;MM365119;N#CCNN=COC=CF;HQBXMAGSWJAPNV-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365120;MM365120;C=CCCOCC(=C)CF;GKJQBHHYEWUVOT-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365121;MM365121;CC=COC=CC(=N)NC;BJVCHVBZOFJWNP-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365122;MM365122;C=C(CF)COCCC#N;XSZOANHWKKKESK-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365123;MM365123;CNC(=N)C=COC=CF;JHYMOYXNWAXSLY-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365124;MM365124;C=CCCOCC(=O)CO;CUFBLSJVWTYULO-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365125;MM365125;CC=COC=CC(=N)NN;GEFUBWDRLUSDEL-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365126;MM365126;N#CCCOCC(=O)CO;ZCSYGQOWZODYAA-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365127;MM365127;CC=COC=CC(=N)NO;PBCMYTKSORMODT-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365128;MM365128;C=COCOCC(=C)CO;XLAWHFDWQDKVIS-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365129;MM365129;CC=COC=CC(=O)NO;PYEOIVTWFVPSSK-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365130;MM365130;C=COCOCC(=C)CF;DZOPHQRPKLGFJJ-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365131;MM365131;C=CC1C(O)C1C=CCF;GVIBRQGGMLYSCU-UHFFFAOYSA-N;142.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365132;MM365132;C=COCOCC(=O)CF;ZEYWIPNZLPURTG-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365133;MM365133;NNC(=O)C=COC=NO;XRMJJGIBQPWURV-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365134;MM365134;O=COCOCC(=O)CF;XYISMIYJIFKXPP-UHFFFAOYSA-N;150.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365135;MM365135;NN=COC=CC(=O)NO;RDPRZMXPTFXLCL-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365136;MM365136;C=NOCOCC(=O)CC;KPSYZDZBOWZBRE-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365137;MM365137;O=C(C=COC=NO)NO;LTWZXKIZZRZCPJ-UHFFFAOYSA-N;146.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365138;MM365138;C=CCCOCC(=N)NC;TXQXVHLSLHCNGQ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365139;MM365139;CC=COC=CC(=O)OC;GOBBCANAKAMOSW-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365140;MM365140;C=CCCOCC(=N)NO;WZJVUFQVOIBFNU-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365141;MM365141;COC(=O)C=COC=CF;JJIFBWFRWXPMDA-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365142;MM365142;N#CCCOCC(=N)NO;DQAUPOHBYNWNAO-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365143;MM365143;C=CC1=CCC(CO)CC1;HOPLMTHLWLGPAG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365144;MM365144;CNC(=O)COCCC=O;VUQVFGWKLZJCGL-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365145;MM365145;C=C(C=COC=NO)OC;FYMZFFFJDTVCKF-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365146;MM365146;O=CCCOCC(=O)NO;GBSFVWRPCCSRPZ-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365147;MM365147;O=CC1=CCC(CO)CC1;NYXVXVHXYWRQFS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365148;MM365148;N#CCCOCC(=O)NO;MYAVKAPUHYQQBW-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365149;MM365149;Nc1cn[nH]c1;AXINVSXSGNSVLV-UHFFFAOYSA-N;83.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365150;MM365150;CNC(=N)COCOC=O;WALMMIOKBRYRHS-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365151;MM365151;C=C(C)C(=C)C(C)O;OYOURCKYJDZQJK-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365152;MM365152;N=C(COCOC=O)NN;XFCYZDPSTBSVOU-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365153;MM365153;C=CCC1(C)CC1O;FSWCIESBTARKHF-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365154;MM365154;N=C(COCOC=O)NO;IHCCUKNELKTKIG-UHFFFAOYSA-N;148.12;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365155;MM365155;C=C(C=NNC=NO)CF;VRQPJPLJKYOJLG-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365156;MM365156;CNC(=O)COCOC=O;PFFCGJXJAAGNJG-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365157;MM365157;C=Cn1cc(N)nn1;UJTHTRRTCWGQKB-UHFFFAOYSA-N;110.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365158;MM365158;CCC1C(C)N1CC=O;CCRZABAYNYQKAH-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365159;MM365159;CNC(=N)C=NN=CNN;UHPQDYGGLXAFFI-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365160;MM365160;CC1C(O)C1CC1CC1;SAFSVKMDUDFYQP-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365161;MM365161;CNC(=N)C=NN=CNO;XISIPONVDLYUKZ-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365162;MM365162;C=NOCOCC(=N)NC;XKZOWORGSADSSP-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365163;MM365163;C=CCC1C(C)C1O;IONXOFZMSUJAEM-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365164;MM365164;C#CC(C)(C)CCC(C)O;KEYZJQALXJDXLI-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365165;MM365165;C=C1C(O)CC2CC12;MKZCUIPOWOETHO-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365166;MM365166;C=CC(C)(O)C=CCCC;VVTNOHWEJSRELT-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365167;MM365167;N=C(N)C(=O)CC(F)F;GYKISUBOKJOANH-UHFFFAOYSA-N;136.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365168;MM365168;C=NOCOCC(=O)NO;UUGQNWRJYCYVMQ-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365169;MM365169;O=CC=NNCC(F)F;IGOOBAVMQFEFRH-UHFFFAOYSA-N;136.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365170;MM365170;C=C(COCCC=O)OC;ZANOTCINKXBQOM-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365171;MM365171;NNC(=O)C=NN=CNO;VVUSOLKEEIJUND-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365172;MM365172;C=C(COCCC#N)OC;JPRFVTUPDNFEAC-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365173;MM365173;O=C(C=NNC=NO)NO;ODBKJXQYHZZMPT-UHFFFAOYSA-N;146.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365174;MM365174;C=C(C=NOC=NO)CN;RHZLDSUTIWFMMO-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365175;MM365175;COC(=O)COCCC=O;JEMRPHBTOYXLIT-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365176;MM365176;C=C(C=NOC=NO)CF;UZVRJBJCALQSJY-UHFFFAOYSA-N;146.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365177;MM365177;COC(=O)COCCC#N;DGVBFVWWYXHMJA-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365178;MM365178;CCC(O)CCCC=O;UKFNNBXGHVJQMJ-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365179;MM365179;C=COCOCC(=C)OC;DZXFLDZPGPRHCW-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365180;MM365180;N=C(C=NOC=NO)NO;XOSZUANRRYOINM-UHFFFAOYSA-N;146.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365181;MM365181;COC(=O)COCOC=O;GLISJOSBVGVBAP-UHFFFAOYSA-N;148.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365182;MM365182;C#CC1C(O)C1(C)C=C;POWSJKKVLHUDJP-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365183;MM365183;CCC(=N)NCCCC#N;DUBHSKFJSRUFDL-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365184;MM365184;CNC(=O)C=NOC=NO;SGNLOIAKXQISLR-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365185;MM365185;C=CC(C)(O)C=CCCF;FKMFVAUQVWCXNB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365186;MM365186;NNC(=O)C=NOC=NO;NKZCRPWIAMATBQ-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365187;MM365187;CCC(=N)NCCNC=O;UXBQGLBGASSKAK-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365188;MM365188;C=C1CC(CO)CC1=C;RQCQSWOCZKDOGY-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365189;MM365189;N=CNCCNC(=N)CF;MBFFTSPWKZZHAX-UHFFFAOYSA-N;146.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365190;MM365190;C=C(C=NOC=NO)OC;BHFNKLAUBDRFHL-UHFFFAOYSA-N;144.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365191;MM365191;O=CNCCNC(=O)CF;AARXUTGTHRPGDZ-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365192;MM365192;C=C1CC(=CC)CC1O;RAKQAHSLGOMFPW-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365193;MM365193;CCC(C)CC1(C)CC1O;ZRIUSHWPPGHYTM-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365194;MM365194;CC=CN=CNC(=N)CN;OFDFITJKVJKRAW-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365195;MM365195;N=C(CN)NCCOC=O;DIENOQUFPMTTAW-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365196;MM365196;CC=CN=CNC(=N)CO;SRJHNOMIBXPJCZ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365197;MM365197;C=COCCNC(=N)CO;LTVLASOHQGOSES-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365198;MM365198;CC=CN=CNC(=O)CC;BPVYMKGCNIUTSN-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365199;MM365199;C=COCCNC(=O)CC;GLGBRDLOLBWNEW-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365200;MM365200;CNC(=N)NC=NC=CF;NHICCHBAHHQQOH-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365201;MM365201;CCC(=O)NCCOC=O;VYTJBWPHLRBROO-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365202;MM365202;CC=Cn1cc(N)nn1;PBXSXCFVCWAGNM-UHFFFAOYSA-N;124.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365203;MM365203;C=NOCCNC(=N)CC;LGBSZFHOUCQWPR-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365204;MM365204;C=NOCCNC(=N)CO;OAORPKPNZGJTMB-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365205;MM365205;NNC(=O)NC=NC=CF;JTZIPLBMJVAYBM-UHFFFAOYSA-N;146.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365206;MM365206;CC(CF)CC1(C)CC1O;HHXKBRLFHPBAKG-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365207;MM365207;CC=CN=CNC(=O)NO;GGBHMGLAPIJILQ-UHFFFAOYSA-N;143.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365208;MM365208;C=CCCCNC(=N)NC;WIVIBCUWTIHOED-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365209;MM365209;C=CC(=C)C=CCC=CC;HPOQIGXPGXJZQD-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365210;MM365210;N=C(NO)NCCCC=O;QLUCWMQLVWRNTG-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365211;MM365211;C=C(C=O)C=CCC=CC;UPUOIOMBSLJQIT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365212;MM365212;CNC(=O)NCCCC=O;SBLGOPUOEKQSIJ-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365213;MM365213;C=C(C#N)C=CCC=CC;MTUJWIMDZTZPTE-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365214;MM365214;C=C(F)CC(C#N)=NOC;RBJPTWKTPYJHMT-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365215;MM365215;C=CC(=O)C=CCC=CC;VPELZDPBIZVMEG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365216;MM365216;C=COCCNC(=O)NC;CHVDKRRCPLJFCT-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365217;MM365217;CC=CCC=CC(=O)C=O;XIMDXUBHWCHYEG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365218;MM365218;CCC#CCN(C)CC=O;XCZGUQRZAANYGS-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365219;MM365219;CC=CCC=CC(=O)C#N;DKAQCODMXBKQEF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365220;MM365220;C=NOCCNC(=N)NN;RABDXAKTGCZUPB-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365221;MM365221;O=CC(=O)C=CCC=CF;UTOFOPURDQBACN-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365222;MM365222;CN(CC#CC=O)CC=O;CTQUCNYSNRUZIH-UHFFFAOYSA-N;139.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365223;MM365223;C=CC(=O)C=CCC=NO;CBBSRMLSHGNPSK-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365224;MM365224;COC(=O)NCCCC=O;OKVMHPHQDNHIIU-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365225;MM365225;C=CC(=O)C=CNC=NC;ILCJUFZCSDHRKN-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365226;MM365226;C=NNCCNC(=N)OC;MUNBTKSTWFXEIR-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365227;MM365227;C#CC1CC(C=O)N1C;LGXWSSLKTDBQIL-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365228;MM365228;C#CC#CCN(C)CC=O;UYTXQBWBGZZJLO-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365229;MM365229;CNc1c[nH]c(OC)c1;CCTKLVCRPONZQF-UHFFFAOYSA-N;126.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365230;MM365230;COC(=N)NCCOC=O;HDBWPNUTEWRYNK-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365231;MM365231;C=CC(=C)C=COC=CC;WKNSCRYWNSCUPW-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365232;MM365232;COC(=O)NCCOC=O;GHQFNWRUSJIRML-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365233;MM365233;C=C(C=O)C=COC=CF;FPWXJIXTYIHLAG-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365234;MM365234;C=NOCCNC(=N)OC;QQKTUOZYQDKRDM-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365235;MM365235;C=C(C#N)C=COC=CF;YXGFGFOSLVPGTH-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365236;MM365236;CC1CC1CC1(C)CC1O;LDGPIFOXUDENHK-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365237;MM365237;CC=COC=CC(=O)C=O;MMUZZIHKMWHCTP-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365238;MM365238;CCC(=N)NNCCC=O;NDXZQNGFJXFBOS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365239;MM365239;C#Cc1c[nH]c(NC)c1;YXITVQDKINKETA-UHFFFAOYSA-N;120.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365240;MM365240;CCC(=N)NNCCC#N;BOBJCWJSGMBWKH-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365241;MM365241;C=CC(=C)C=COC=NO;VGWMUDFIKAKOLB-UHFFFAOYSA-N;139.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365242;MM365242;N#CCCNNC(=N)CO;UPTJYMJVJNHFSL-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365243;MM365243;C=C(C#N)C=COC=NO;JOOWHFGBLNNEQC-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365244;MM365244;C=CC(C=C)(CC)CCO;BEEOSXVXHDPJBS-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365245;MM365245;C=CC(=O)C=COC=NO;GKMADCUTSLTGPB-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365246;MM365246;N#CCCNNC(=O)NO;FQKALAQNRSPYEI-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365247;MM365247;C#CC1CC1C(O)C=C;CIUZTUINPTVGIX-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365248;MM365248;C=CCCONC(=N)CC;HGSCDUSUEYLVSF-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365249;MM365249;CC=CCC1C(C)C1O;NRYRPYPYXIYBTL-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365250;MM365250;C=CCCONC(=O)CC;AXIFMNDQLQOXNW-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365251;MM365251;C=CC(=C)C=NNC=NO;GHECMEIMDHIUAA-UHFFFAOYSA-N;139.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365252;MM365252;O=C(O)COCC#CCO;ODIARMUCWXQLCW-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365253;MM365253;C=NOCCCCC=O;GNQMBTQIOJZHRT-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365254;MM365254;NC(=O)c1oc(=O)oc1O;GRHNUMKRDHFMAS-UHFFFAOYSA-N;145.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365255;MM365255;C=C(C=O)C=NNC=NO;RAEGFOVNLMZFHD-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365256;MM365256;C=COCONC(=N)CC;SJRRIZJDMBDLFS-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365257;MM365257;C=C(C#N)C=NNC=NO;BITUMLDTULPGGW-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365258;MM365258;C=COCONC(=N)CF;DLQRCYKTPKYECG-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365259;MM365259;C=CC(=O)C=NNC=NO;JLOOIIPYBKFYDV-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365260;MM365260;CN1C(=CO)N=NC1=NO;TWVHRFRSHARWDD-UHFFFAOYSA-N;142.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365261;MM365261;C=CC(=C)C=NOC=NO;HLGLRLBYWBZDTM-UHFFFAOYSA-N;140.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365262;MM365262;C=NOCONC(=N)CN;APWMCHBSWXZKTQ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365263;MM365263;O=CCNNC=CN=O;CCTKBCYSEJMKMD-UHFFFAOYSA-N;129.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365264;MM365264;CNC(=N)NOCCC=O;LGHLMQRSMDZBHW-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365265;MM365265;O=CCC(O)C(=O)O;XJFSDAQUZXSRMY-UHFFFAOYSA-N;118.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365266;MM365266;CNC(=O)NOCCC=O;MLGFPTCLEDEIKZ-UHFFFAOYSA-N;146.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365267;MM365267;C#CC(=C)C=CCC=CC;KPOFXZCTNQGOKO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365268;MM365268;CNC(=N)NOCOC=O;BPWHLBWIHBYALZ-UHFFFAOYSA-N;147.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365269;MM365269;C#CC(=O)C=CCC=CC;OPCQCTHVDGTQHO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365270;MM365270;C=COCONC(=N)NN;VEIMTTVCGAKRDG-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365271;MM365271;C=CC#CCC(C)(C)CO;QWKZDBHTCUJCLA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365272;MM365272;N=C(NN)NOCOC=O;XRMVJXVAJJSTCO-UHFFFAOYSA-N;148.12;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365273;MM365273;C#CC(=O)C=CNC=NC;VNBFSGHPWHTTFN-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365274;MM365274;CNC(=O)NOCOC=O;IAARIDUGJZNHFN-UHFFFAOYSA-N;148.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365275;MM365275;CC(=O)CNCC(F)C#N;KHHADJQVTQCDOP-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365276;MM365276;C=COCONC(=O)NN;QUZQZHCJUKSLHH-UHFFFAOYSA-N;147.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365277;MM365277;C#CC(=C)C=COC=CC;SJXBCRZELUAMER-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365278;MM365278;NNC(=O)NOCOC=O;KVPYEUIBHWLPDY-UHFFFAOYSA-N;149.11;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365279;MM365279;C=COCONC(=O)NO;OJMDJEBCJJPYBZ-UHFFFAOYSA-N;148.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365280;MM365280;C#CC(=C)C=COC=CF;JDTBZBDXQOZLGJ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365281;MM365281;O=COCONC(=O)NO;XVVYZKDNXTWPIA-UHFFFAOYSA-N;150.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365282;MM365282;C=CCC(=C)CC(O)C=C;WDHJKLAHZHNZKA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365283;MM365283;C=NOCONC(=N)NC;KZWIXWDBEBFRCZ-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365284;MM365284;C#CC(=C)C=COC=NO;MLLGVYPTGMMKPW-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365285;MM365285;C=NOCONC(=O)NC;GZFXFPLNKIOGNZ-UHFFFAOYSA-N;147.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365286;MM365286;C=CC(O)CC(=C)CC=O;JLDNSXOUNKXJCG-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365287;MM365287;C=NOCONC(=O)NN;FMPQTWNDVGSDJW-UHFFFAOYSA-N;148.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365288;MM365288;C#CC(=C)C=NOC=NO;ROQBUBPGUSIBPH-UHFFFAOYSA-N;138.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365289;MM365289;C=NOCONC(=O)NO;AGTRZDMKXYBFJJ-UHFFFAOYSA-N;149.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365290;MM365290;CC#CCC=CC(C)CC;BDEREDFSKOZAIA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365291;MM365291;C=COCONC(=O)OC;ZHEVHNOQWUAJHI-UHFFFAOYSA-N;147.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365292;MM365292;CC#CCC=CC(C)CN;OXVDYOZRDBBDOD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365293;MM365293;C=NOCONC(=O)OC;XLQWYRHDDLZSNL-UHFFFAOYSA-N;148.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365294;MM365294;C=CC=C(C)CC(O)C=C;KHDZGELYRBDSGA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365295;MM365295;C=CCCCOC(=O)CF;FOLOVJBXOHEGER-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365296;MM365296;CC#CCC=CC(C)CF;KHFZZURGPRCICF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365297;MM365297;C=C(CF)OCCNC=N;ORGPXPVMGNIDBC-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365298;MM365298;CC#CCC=CC(N)CC;HNBMKMPUSZFLAL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365299;MM365299;NC=NCCOC(=O)CO;PDPLMABXPSWYCB-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365300;MM365300;CC#CCC=CC(N)CN;VEVOHEXCKARVDP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365301;MM365301;C#CC1(C)CC1C(C)CO;XTELMDHADBNFCT-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365302;MM365302;CC#CCC=CC(N)CO;GKWZDUCOENPLFH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365303;MM365303;C=C(CC)OCCOC=O;MZCFVWWROKXKEZ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365304;MM365304;C#CC=C(CC)CC(C)O;YTALSRQCDURFNR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365305;MM365305;C=COCCOC(=C)CO;AMDZMISZHKIDLS-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365306;MM365306;CC#CCC=CC(O)CN;DKUFTIYQPVGHPH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365307;MM365307;C=C(CO)OCCOC=O;KYWQECBYNCLRDC-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365308;MM365308;CC#CCC=CC(O)CO;OSZWKNNGRWRZAQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365309;MM365309;C#CC1(C)CCC(CO)C1;VIEXYJPXOPZCKN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365310;MM365310;CC#CCC=CC(O)CF;QIRUKFIJEYIDGT-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365311;MM365311;C=NOCCOC(=C)CF;CRDQXHDHKYQYKC-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365312;MM365312;CC#CCC=CC(F)CC;VWEROLZCHLNKDI-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365313;MM365313;C=CCCCOC(=N)NC;IGCNUIVUCKDYQM-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365314;MM365314;CC#CCC=CC(C)NC;AZHMSWCDWGLSOZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365315;MM365315;CNC(=N)OCCCC=O;FPFBGENDACCMFQ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365316;MM365316;CC#CCC=CC(C)OC;PKXJBSFYUISVBG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365317;MM365317;N#CCCCOC(=O)NO;VHPSVPXUZMQLSR-UHFFFAOYSA-N;144.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365318;MM365318;CC#CCN=CN(C)CC;RNWGCECRTULPNQ-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365319;MM365319;CNC(=N)OCCNC=N;MDLMROLBJJRUMX-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365320;MM365320;CCCC(O)CCCC=O;QVGWQEOFNGJAOO-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365321;MM365321;C#CC1(CCC(C)O)CC1;YEOHHYFUZMPMOJ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365322;MM365322;CC#CCN=CN(C)OC;HOJZIZHUYFKEOU-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365323;MM365323;CNC(=O)OCCOC=O;SLVQWXKUGGVCKP-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365324;MM365324;CC#CCC=NN(C)CC;OYUZHHAHMZZEJA-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365325;MM365325;C#CC(C)(CO)CC1CC1;GMWOOSCGTCKVRF-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365326;MM365326;C=CC(C)C=CCC#CC;ZKADCINJTWJBPA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365327;MM365327;CN(NCC=O)C(=N)C=O;UREXGOHBRISBOI-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365328;MM365328;CC#CCC=CC(C)C=O;CZJYLDWNQQAVJW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365329;MM365329;C=COCCOC(=O)NO;NJZNPEPMTYLXAF-UHFFFAOYSA-N;147.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365330;MM365330;CC#CCC=CC(C)C#N;MGBTURDFSZRTQN-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365331;MM365331;C=CC(=O)CON=CCC;NKMHFGQBZUQMHR-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365332;MM365332;C=CC(N)C=CCC#CC;IIFYYNJRHCITQJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365333;MM365333;COC(=O)OCCNC=N;CCYMWYHIYZFMAP-UHFFFAOYSA-N;146.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365334;MM365334;C=CC(O)C=CCC#CC;OHAATMAFQNOHAU-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365335;MM365335;COC(=O)OCCNC=O;DGJZVOGDBMABMS-UHFFFAOYSA-N;147.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365336;MM365336;CC#CCC=CC(O)C=O;VOJCWFUVYMYMMX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365337;MM365337;C=NNCCOC(=O)OC;RTFZDMOEOHZLLG-UHFFFAOYSA-N;146.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365338;MM365338;C=CC(F)C=CCC#CC;PFFGGQKOTSFGQU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365339;MM365339;C=CCOCOC(=C)CN;ZOAYXJVKQHLUKS-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365340;MM365340;CC#CCC=CC(F)C=O;VOJSHYDZRBEEMQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365341;MM365341;C=C(CO)OCOCC#N;YGSAUDYPCKZIOK-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365342;MM365342;CC#CCC=CC(F)C#N;XHWWVHASMPKGLY-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365343;MM365343;C=CCOCOC(=C)CF;DXZPFZGWMTUZBQ-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365344;MM365344;CC#CCC=CN(N)C=N;FUVASIBBVITORX-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365345;MM365345;C=CCOCOC(=O)CO;CSIGWDILTOGFIE-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365346;MM365346;CC#CCC=CN(N)C=O;APAPEIOHZYXOSM-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365347;MM365347;O=CCOCOC(=O)CO;PLHBEMGTWHSHME-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365348;MM365348;CC#CCC=CN(O)C=N;HNWDGXWJSAGOIE-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365349;MM365349;N#CCOCOC(=O)CO;YGYJXMLRUUYAHE-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365350;MM365350;CC#CCC=CN(O)C=O;NPLQZMYQBKMVFN-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365351;MM365351;C=C(CC)OCONC=O;VWEIKGCFNKPJBF-UHFFFAOYSA-N;145.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365352;MM365352;C=CN(C)C=NCC#CC;HQCYCLATGBOXME-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365353;MM365353;C=C(CN)OCONC=O;HOLROLHBRYBQOG-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365354;MM365354;CC#CCN=CN(C)C=N;MPVTYHVGFMYMPJ-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365355;MM365355;C=C(CO)OCONC=O;DYVVIFCIZLQNSD-UHFFFAOYSA-N;147.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365356;MM365356;CC#CCN=CN(C)C=O;DJCDAJSCQPJSDF-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365357;MM365357;C=C(CF)OCONC=O;BANHCSSBWVJORZ-UHFFFAOYSA-N;149.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365358;MM365358;CC#CCN=CN(N)C=O;UPUIHKKUCAJZAV-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365359;MM365359;O=CNOCOC(=O)CO;XUKMFCXFCATVSH-UHFFFAOYSA-N;149.1;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365360;MM365360;C#CCC(O)CCCC=O;HDALYSWSHYECKT-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365361;MM365361;CNC(=N)OCOCC=O;GUAJVCPMWSJZEV-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365362;MM365362;CC#CCC=NN(C)C=N;PZVPZXBBDHMLEP-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365363;MM365363;CNC(=O)OCOCC#N;BBUVZJSDQDRKMK-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365364;MM365364;CC#CCC=NN(C)C=O;WAJOMZWBDDSIPA-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365365;MM365365;CNC(=N)OCONC=N;ZIMLFDKFFCQXEY-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365366;MM365366;C#CC(C)C=CCC#CC;BAQFOMKVOCIIHK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365367;MM365367;CNC(=N)OCONC=O;UWIXGQRJCGGLPJ-UHFFFAOYSA-N;147.13;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365368;MM365368;C#CC(N)C=CCC#CC;AYUWPUCBKHYYIN-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365369;MM365369;N=CNOCOC(=N)NN;QMENCEMRCNZIEV-UHFFFAOYSA-N;147.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365370;MM365370;C#CC(O)C=CCC#CC;NTHAPGZIQOOFAZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365371;MM365371;N=CNOCOC(=N)NO;DNYZJQQQNWQRCX-UHFFFAOYSA-N;148.12;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365372;MM365372;C#CC(F)C=CCC#CC;ZOBPBLGHHNIGAA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365373;MM365373;COC(=O)OCOCC=O;ZTOZTIHCVLBEKA-UHFFFAOYSA-N;148.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365374;MM365374;C=C(C=CCC#CC)CC;YVBQUCWRYQGBHX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365375;MM365375;COC(=O)OCONC=N;GUMSHCHRSJCOFP-UHFFFAOYSA-N;148.12;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365376;MM365376;C=C(C=CCC#CC)CN;VMUSMSKJFFJOEC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365377;MM365377;C#CCCCCC(=C)CC;ZTJUBTIAGBKUSN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365378;MM365378;C=C(C=CCC#CC)CO;YXRSTYFDDVCXMT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365379;MM365379;C#CCCCCC(=O)CC;YGWKUBZHHFDERP-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365380;MM365380;C=C(C=CCC#CC)CF;LBCKECQOFNIREZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365381;MM365381;C#CCCCCC(=O)CO;MANAEKWXRJCQKX-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365382;MM365382;CC#CCC=CC(=O)CC;BAYQQUKIWKGITK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365383;MM365383;C#CCCCCC(=N)NC;JPNMSHHLYNVECC-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365384;MM365384;CC#CCC=CC(=O)CO;QFOQLSGLWSROSD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365385;MM365385;C#CCCCCC(=C)OC;BNGREGQGAKULDC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365386;MM365386;CC#CCC=CC(=O)CF;MPMRLLGJDOJDDK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365387;MM365387;C#CCNCCC(=C)CC;KWFIEDOOTINUCV-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365388;MM365388;CC#CCC=CC(=N)NO;WVRQDORHKAJYAE-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365389;MM365389;C#CCNCCC(=O)CF;JVTPXNIBJNCHPF-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365390;MM365390;C=CC=CCC(O)C=CC;OPBNGXCVOLZGMU-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365391;MM365391;C#CCOCCC(=C)CC;OPEQBNLQOVPTMI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365392;MM365392;CC=CC(O)CC=CC=O;ZRWHFHVOACTHFK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365393;MM365393;C#CCOCCC(=C)CO;RRZHNYQOIAUDKN-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365394;MM365394;CC#CCC=CC(=O)NO;JUEBIWBTVJVZHU-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365395;MM365395;C#CCOCCC(=O)CC;FPHPIVXZEIYERH-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365396;MM365396;C=CC(=C)C=CCC#CC;YCBJELAEOVWWJE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365397;MM365397;C#CCOCCC(=O)CO;SOIZGDRLCNHVQR-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365398;MM365398;C=C(C=O)C=CCC#CC;XWIILBDUZRZGLR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365399;MM365399;C#CCOCCC(=O)NC;CPEPNFATHIJFKN-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365400;MM365400;C=C(C#N)C=CCC#CC;YHSATHSUMOGNRC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365401;MM365401;C#CCOCCC(=C)OC;LFQXFAYQQNQSMN-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365402;MM365402;C=CC(=O)C=CCC#CC;KKOSRULBRIWHIP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365403;MM365403;C#CCCNCC(=C)CC;LLQYXPDQTKDWMQ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365404;MM365404;CC#CCC=CC(=O)C=O;XSBAUFRAIVLTDL-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365405;MM365405;C#CCCNCC(=C)CO;QATAVUTUKGKJDB-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365406;MM365406;CC#CCC=CC(=O)C#N;AZZNELWILBRLNV-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365407;MM365407;C#CCCNCC(=N)NN;SNVJLIVFASZRSS-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365408;MM365408;C#CC(=C)C=CCC#CC;LZWGWDDYEVVQAU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365409;MM365409;C#CCCOCC(=C)CC;RDSDZSNVVGPSNH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365410;MM365410;C#CC(=O)C=CCC#CC;OFBPXCAKLOGLGN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365411;MM365411;C#CCCOCC(=C)CN;KEIMPFUYPNHSDN-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365412;MM365412;CCC=CC=CC(C)CC;APNPQIYOXIPMCN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365413;MM365413;C#CCCOCC(=C)CF;SACMJISOFKYUFY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365414;MM365414;CCC(C)C=CC=CCN;VCZAVXQGGKCNHK-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365415;MM365415;C#CCCOCC(=O)CC;MCZSHPHGHVCHJS-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365416;MM365416;CCC(C)C=CC=CCO;UZESUNFSSQSHDU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365417;MM365417;C#CCCOCC(=O)CF;GTFFKDILGUXRII-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365418;MM365418;CCC(C)C=CC=CCF;TWNRAYKXASXXHI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365419;MM365419;C#CCCOCC(=N)NN;OYLGFHGDDOOAPF-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365420;MM365420;CCC=CC=CC(C)CN;XNIIRVRLXZBXIA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365421;MM365421;C#CCCOCC(=N)NO;WGFSQVQJCMKHPJ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365422;MM365422;C#CCCOCC(=O)OC;SAJYORGSPHQRLR-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365423;MM365423;CC(C=CC=CCO)CN;DUCNHSUSMQIFBX-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365424;MM365424;C#CCCCNC(=N)CN;JMGZVTYSTXTPIQ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365425;MM365425;C=CCC(O)C=CCC=O;KYNRSNVKRCOZCS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365426;MM365426;C#CCCCNC(=O)CO;HJHUTUAYPTYAMA-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365427;MM365427;CC(C=CC=CCO)CO;JRDHJVLRAMTLKH-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365428;MM365428;C#CCCCNC(=N)NN;PVFKVPIXDYORGE-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365429;MM365429;CCC=CC=CC(C)CF;CYXCUTZBNVYGOY-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365430;MM365430;C#CCCCNC(=N)NO;HZHZMXLSPUTFAO-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365431;MM365431;CC(C=CC=CCN)CF;WWUMYMPVITURGF-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365432;MM365432;CC(C=CC=CCF)CF;SDPJECADWWISOY-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365433;MM365433;C#CCCCNC(=O)NO;HHVHRJOFBKWCCM-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365434;MM365434;CCC=CC=CC(N)CC;MPRHNOUEWOKHEG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365435;MM365435;C#CCCNNC(=N)CN;GUEJGVVCFMLKMS-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365436;MM365436;CCC(N)C=CC=CCN;MBLRZJGORRQXIR-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365437;MM365437;C#CCCNNC(=N)CO;WEWCOZKBDINCLA-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365438;MM365438;CCC(N)C=CC=CCO;MDQQMLHOMKESLC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365439;MM365439;C#CCCNNC(=N)NC;UZHWLXILTBTIHK-UHFFFAOYSA-N;140.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365440;MM365440;CCC=CC=CC(N)CN;MKFGOEMVIAGVIG-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365441;MM365441;C#CCCNNC(=N)NN;NNAWKBNSXUULGP-UHFFFAOYSA-N;141.18;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365442;MM365442;NCC=CC=CC(N)CO;DZKMRIJPAAHVBF-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365443;MM365443;CN=C(C)NN=COC=O;RQGIOGXBWYFLRW-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365444;MM365444;NC(C=CC=CCO)CO;QPIWQZBZOQVUDL-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365445;MM365445;C#CCCONC(=N)NN;JGXFNUHQEGOSLL-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365446;MM365446;CCC=CC=CC(N)CF;CMBFVSYBTBFULN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365447;MM365447;C#CCCONC(=N)NO;ZSPNZCIJRAVUOC-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365448;MM365448;NC(C=CC=CCF)CF;CGSGADDONYTDNS-UHFFFAOYSA-N;147.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365449;MM365449;C#CCCONC(=O)NC;YIDRTLDKHULRPL-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365450;MM365450;CN=CNN=C(C)CC#N;JOJTXFCRSLSCQU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365451;MM365451;C#CCCONC(=O)NN;MLBMKGZNVCYJDC-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365452;MM365452;CCC(O)C=CC=CCN;ZGCRGZIVGNDOBJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365453;MM365453;C#CCCONC(=O)NO;PJMJJWBPIDRSDG-UHFFFAOYSA-N;144.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365454;MM365454;OCC(O)C=CC=CCF;PRLRWCGEZXOIIU-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365455;MM365455;C#CCCCOC(=C)CN;CWWFYUCMJANAKQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365456;MM365456;CCC=CC=CC(O)CF;VIKVGWXYQZGLRQ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365457;MM365457;C#CCCCOC(=O)NC;ZZWNGFDJMCDILS-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365458;MM365458;OC(C=CC=CCF)CF;ASDKFJSEPYJLRZ-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365459;MM365459;C#CCC(=CF)OC=NN;YNPFSWYIKBDFGF-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365460;MM365460;CCC=CC=CC(F)CC;ZOBQYHGPTPPITQ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365461;MM365461;C#CCCCOC(=O)NO;XMYBQZUUXNDYSH-UHFFFAOYSA-N;143.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365462;MM365462;CCC(F)C=CC=CCN;QOVWSHBTUHOAJV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365463;MM365463;C#CCCCOC(=O)OC;AHLGNELFAYGBFS-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365464;MM365464;CCC=CC=CC(F)CN;AGDVKKLVKMDYKW-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365465;MM365465;C#CCOCOC(=C)CN;NEILCSVKAPRHGQ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365466;MM365466;NCC(F)C=CC=CCF;ALKIGKOPIIZHQB-UHFFFAOYSA-N;147.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365467;MM365467;C#CCOCOC(=C)CO;DFHXNXHRQOHEEZ-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365468;MM365468;NCC=CC=CC(F)CF;DUVVNIBQBMEEPD-UHFFFAOYSA-N;147.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365469;MM365469;C#CCOCOC(=O)CC;QNQWTLUEJLNKMG-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365470;MM365470;COC=CC=CC(C)CN;GKOWUYVJOOOWEK-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365471;MM365471;C#CCOCOC(=O)CO;IVYDZDUCBGCUPW-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365472;MM365472;CC(C)C(O)CCCC=O;XEMBEYZBFQCVOA-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365473;MM365473;C#CCOCOC(=O)NC;UNDIOHXFLSWVCA-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365474;MM365474;COC=CC=CC(C)CF;KSUGOTNPJLHHBW-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365475;MM365475;C#CCOCOC(=O)NN;ADCQVSCZIRERGN-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365476;MM365476;COC=CC=CC(O)CO;LDIPZMAHCGSBAT-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365477;MM365477;C#CCOCOC(=O)OC;PNJIIXZIWGKNOZ-UHFFFAOYSA-N;144.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365478;MM365478;CCC(C)C=CC=NNC;SHOKKMFYFLRMQL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365479;MM365479;C=CC(=C)CCCCCN;GVMQRMPYFAXVPV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365480;MM365480;C=NOC(ON=C)C(F)F;SVRQCPLDSIPLTR-UHFFFAOYSA-N;152.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365481;MM365481;CCC(C)CC1C(C)C1O;NTEAHEIHWSCROW-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365482;MM365482;CCC(C)C=CC=NOC;LDSBTTCBFPEUJS-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365483;MM365483;C=C(C#N)CCCCCC;JEKLNUVCTRHZFZ-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365484;MM365484;CON=CC=CC(C)CN;VBTSXJDLNBPVIF-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365485;MM365485;CC#CC#CC(C#N)NC;DBCDHUROCJZWTL-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365486;MM365486;C=C1CC(=CCC)CC1O;WEHXVYFTSOMMLV-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365487;MM365487;C=C(C=O)CCCCCF;JURVSVZZAFKAHK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365488;MM365488;CCC(F)C=CC=NOC;VROIXIRNPPICGT-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365489;MM365489;C=C(C#N)CCCCCF;JAVJBQJAPQMBAT-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365490;MM365490;CCC=CC=CC(C)NC;LSKOTTLFGNXVIN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365491;MM365491;C=C(C)C1=CC(CO)CC1;XHUZCRRDYLXGJF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365492;MM365492;CNC(C)C=CC=CCN;FWDCQZDIKIKPEM-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365493;MM365493;C=CC(=O)CCCCCF;GBZCLMXCPYCZFY-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365494;MM365494;CNC(C)C=CC=CCO;LDMSRBRWLWFGNT-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365495;MM365495;O=CC(=O)CCCCCF;URYSAUXZLYULGC-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365496;MM365496;CCC=CC=CC(C)OC;WDKYCYPOGDQRBH-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365497;MM365497;N#CC(=O)CCCCCF;RQHRFPZCCKLXEZ-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365498;MM365498;COC(C)C=CC=CCN;WHAKFZYATCXRMG-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365499;MM365499;C=CC(=C)CCCCNC;BSZMTBOVUFDLKV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365500;MM365500;CON=CC=CC(C)OC;VUURUQHZBZXWEP-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365501;MM365501;C=C(C#N)CCCCNC;TVEHOLCLQMTQKX-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365502;MM365502;CCC=NN=CC(C)CC;MFSODKKARYYSDB-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365503;MM365503;C=CC(=O)CCCCNC;BQAUPZKPMKLQOD-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365504;MM365504;CCC(C)C=NN=CCO;ZFTUEARSMMEKOK-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365505;MM365505;C=CC(=O)CCCCOC;MRYICLHNUQXVFB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365506;MM365506;CCC=NN=CC(C)CN;ZKLUKSGUTBOOJF-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365507;MM365507;C=CC(=C)CCCNCC;RQLZYZRRLGLQFQ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365508;MM365508;NCC(N)C=NN=CCO;IFSIUUPDVCTMNJ-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365509;MM365509;C=CC(=O)CCCNCC;NUILKHLPOGXCDB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365510;MM365510;NCC(N)C=NN=CCF;IKYVFNZKIOAPDF-UHFFFAOYSA-N;146.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365511;MM365511;C=CC(=C)CCCOCC;RFJAKNMKVOMMEK-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365512;MM365512;NCC=NN=CC(O)CN;KXIUTHGCXPGIGO-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365513;MM365513;C=C(C=O)CCCOCC;PQTGRFZHVUBHSB-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365514;MM365514;NCC(O)C=NN=CCO;ACYQPZRNJFDBGE-UHFFFAOYSA-N;145.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365515;MM365515;C=C(C#N)CCCOCC;ZGMIWABPUPMKJT-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365516;MM365516;CCC=NN=CC(O)CO;VSVPMVKPYYXHNS-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365517;MM365517;C=CC(=O)CCCOCC;VQYVOKGBNDIWPW-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365518;MM365518;CCC=NN=CC(O)CF;MPNBZXNLACUANL-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365519;MM365519;CCOCCCC(=O)C=O;CWPAYTPDEFNPJM-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365520;MM365520;CCC=NN=CC(F)CC;BCBRAUVJDKYLBX-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365521;MM365521;CCOCCCC(=O)C#N;ZDFJGFFRMMGSEA-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365522;MM365522;CCC=NN=CC(F)CN;JJILDGVCKRQHCY-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365523;MM365523;C=CC(=C)CCNCCC;MKZXFSMNXWQZQL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365524;MM365524;NCC=NN=CC(F)CN;FINWGAXNXMOXKS-UHFFFAOYSA-N;146.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365525;MM365525;C=CC(=C)CCNCCF;HREMNSQTJWERAL-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365526;MM365526;NCC(F)C=NN=CCO;CFFBZQUMVUBSMJ-UHFFFAOYSA-N;147.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365527;MM365527;C=C(C=O)CCNCCC;AULXMDRIFCPHPH-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365528;MM365528;CCC=NN=CC(F)CO;VXSHZYWUYMDFSQ-UHFFFAOYSA-N;146.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365529;MM365529;C=C(C#N)CCNCCC;GLMROWDZLPBKNV-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365530;MM365530;CCC=NN=CC(F)CF;HZHKVXZDMSWOCO-UHFFFAOYSA-N;148.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365531;MM365531;C=CC(=O)CCNCCC;ICUVJPLHAZLPSB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365532;MM365532;OCC=NN=CC(F)CF;MCBBVRLVSIMRIQ-UHFFFAOYSA-N;150.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365533;MM365533;O=CC(=O)CCNCCO;PPFIXMXYPPTCRB-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365534;MM365534;CCC(C)C=NN=COC;SAQDUAKKQXQJKF-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365535;MM365535;C=CC(=C)CCOCCC;RQILFCSALYDVSE-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365536;MM365536;CCC(N)C=NN=COC;VWMGCAXUQPVMNQ-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365537;MM365537;C=CC(=C)CCOCCO;YHGJVRVWTWKCHX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365538;MM365538;CCC(O)C=NN=COC;TYSWHRPNSXSULN-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365539;MM365539;C=C(C#N)CCOCCC;RMYOJMILJNJUPM-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365540;MM365540;CCC(F)C=NN=COC;OQXSWNLXOYXMFZ-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365541;MM365541;C=C(C#N)CCOCCO;ARIXHPOZMRTXNJ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365542;MM365542;COC=NN=CC(F)CF;KAJIEGDQHFHEAE-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365543;MM365543;C=CC(=O)CCOCCC;LVQRBNNTWLUHNQ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365544;MM365544;COC(C)C=NN=CCO;CGSLEEXCKSPCDF-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365545;MM365545;C=CC(=O)CCOCCO;ZSOKDECQTGEEAG-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365546;MM365546;COC=NN=CC(C)OC;XONXCBUNYMFGAG-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365547;MM365547;CCCOCCC(=O)C=O;IIHVGCIKFVAOPF-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365548;MM365548;C#CCc1nc(C)c(N)o1;FHEOJIFEUGATIB-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365549;MM365549;C=CC(=C)CCOCOC;RHKZMWRNOGWORB-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365550;MM365550;CCN=CN=CN(C)OC;APDSXGIBOVSTHX-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365551;MM365551;C=C(C#N)CCOCOC;MYMLUMHLEBKMBB-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365552;MM365552;CCC=NN=CN(C)CC;FEEHIKIGEHUJBE-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365553;MM365553;COCOCCC(=O)C#N;SPVXSEFQKKBQDR-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365554;MM365554;CC#CC1=CC2CC2(O)C1;VNEXLOVVWDYVPW-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365555;MM365555;C=CC(=C)CNCCCC;DFZYBSIPJJCZEO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365556;MM365556;CCN(C)C=NN=COC;HVBFEJXLEZAPJU-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365557;MM365557;C=C(C=O)CNCCCC;KMGLLLVZLKURKZ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365558;MM365558;C#CC(C)C1CC1(C)CO;PVPWFKDUARKICQ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365559;MM365559;C=CC(=O)CNCCCC;UEDCRQCZSGLYTM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365560;MM365560;CCC=NN=CN(C)OC;PABKUZGKAYIKEB-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365561;MM365561;CC(=O)C1=CC(CO)CC1;PDRJTPLFBIUGBQ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365562;MM365562;CCC=CC=NN(C)CC;LJKRVMRZXYTMPP-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365563;MM365563;C=C(C=O)CNCCNC;ITIKBOXLXKDFJM-UHFFFAOYSA-N;142.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365564;MM365564;CCN(C)N=CC=CCF;ZQNSFMKDPHCPQZ-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365565;MM365565;C=C(C#N)CNCCNC;XPRFFWKATSNCNW-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365566;MM365566;CCN(C)N=CC=COC;XIAWIEKOCVHARE-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365567;MM365567;C=CC(=O)CNCCNC;AZQJHQHJZNSQGG-UHFFFAOYSA-N;142.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365568;MM365568;CCC(C)C=CC=CC=O;YWBFPEUTSIJQMQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365569;MM365569;C=C(C=O)COCCCO;SGVQGHUHFKFBKH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365570;MM365570;CCC(C)C=CC=CC#N;YXJJBNZCRXCKOU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365571;MM365571;C=C(C#N)COCCCF;XBRWGRULNMKLFN-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365572;MM365572;C=CC=CC=CC(C)CN;GIZRSVKSRXLZJE-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365573;MM365573;N#CC(=O)COCCCO;HWBCNUNIPSPGDB-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365574;MM365574;CC1(CO)C=C(C#N)CC1;WHADYBDDCBICAZ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365575;MM365575;C=C(C=O)COCCNC;CFFYZYSPZCQALV-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365576;MM365576;C=CC(C)CC(CC)CO;WUJUDJVGIRNUCP-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365577;MM365577;CNCCOCC(=O)C#N;SWQFEJXROLOIDF-UHFFFAOYSA-N;142.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365578;MM365578;CC(C=CC=CC=O)CF;LPFYCIGZOQQMJZ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365579;MM365579;C=CC(=C)COCOCC;LAPJPGJMDMMFFG-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365580;MM365580;CC(C=CC=CC#N)CF;HCINUUZRMHNMTN-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365581;MM365581;C=C(C=O)COCOCC;CPQKOLSQYZGCMI-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365582;MM365582;C=CC=CC=CC(N)CO;ZINORZOKACQZTD-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365583;MM365583;C=C(C#N)COCOCC;PHFLXJZOTUHRDT-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365584;MM365584;C=CC=CC=CC(N)CF;YZJLYTNDRXYNOE-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365585;MM365585;C=CC(=N)NCCCCF;KCLFGPOBRQVHRY-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365586;MM365586;CCC(CO)CC(C)C=O;ZLGXXGUJIOEOAC-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365587;MM365587;CCCCCNC(=N)C#N;ACTMXKUWRNSBKF-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365588;MM365588;C=CC(CO)CC(=C)C=O;SNQCNVOPDQOXPI-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365589;MM365589;CC=CC1C=CC(CO)C1;QFFYCGRBAOSJOT-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365590;MM365590;C=CC=CC=CC(O)CN;DDKLEIYLXXMZNU-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365591;MM365591;C=CC(=O)NCCCCN;PEJQXIRAKYXAMQ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365592;MM365592;N#CC=CC=CC(O)CF;OTZALNVYWIWUPU-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365593;MM365593;C=CC(=N)NCCCNC;OBPJIYPWCRRKHW-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365594;MM365594;C=CC=CC=CC(F)CC;VHIRYPLSCYXKKT-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365595;MM365595;CNCCCNC(=N)C#N;FJVPCCPBENCGPU-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365596;MM365596;CCC(F)C=CC=CC=O;KDBBAFYTSYFSOU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365597;MM365597;COCCCN=C(N)C=O;WCDYMFXVFMTZLP-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365598;MM365598;CCC(F)C=CC=CC#N;QGRHZOINYQKAGY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365599;MM365599;COCCCNC(=N)C#N;ZYNCDGVJXBGQEM-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365600;MM365600;C=CC=CC=CC(F)CF;WJJCGQYPIMQTBR-UHFFFAOYSA-N;144.16;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365601;MM365601;C=CC(=N)NCCNCC;FZIGOXXEUGTXEF-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365602;MM365602;O=CC=CC=CC(F)CF;ZFYADEPUVPWXIT-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365603;MM365603;CCNCCNC(=N)C#N;VMYBQPNMQOIEEA-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365604;MM365604;N#CC=CC=CC(F)CF;MANKPWSRTLDKIM-UHFFFAOYSA-N;143.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365605;MM365605;CCNCCNC(=O)C#N;PJPHBVLZVOWBHH-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365606;MM365606;C=NN=CC=CC(C)CC;BJLICFRCVNTOBH-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365607;MM365607;CCOCCN=C(N)C=O;RAVSHJATHOICEJ-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365608;MM365608;C=NN=CC=CC(C)CF;FVEFIUAVNBGCLW-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365609;MM365609;CCOCCNC(=O)C=O;WEFZBVFOJOZJTM-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365610;MM365610;CNC(C)C=CC=CC#N;KTLMLAORSCKUEG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365611;MM365611;CC=CC1=CC(CO)CC1;XYNGDKUSHRUHRA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365612;MM365612;C=NN=CC=CC(C)NC;OJDFJOCVONHFQY-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365613;MM365613;C=CC12CC(CO)CC1C2;NRBNGOBDILWLCG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365614;MM365614;COC(C)C=CC=CC=O;RVSDQDOPMONYID-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365615;MM365615;C=CC(=N)NNCCNC;ICXGKZZIONIFAW-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365616;MM365616;C=CC=NN=CC(C)CN;FRTQHXZKFRWUDA-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365617;MM365617;CNCCNN=C(N)C=O;ZBDSGMUEPRCJBV-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365618;MM365618;C=CC=NN=CC(C)CO;MIAQEDBSRFQHLK-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365619;MM365619;C=CC(=N)NNCCOC;ZVANCFAJBGPRIS-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365620;MM365620;CC(C=NN=CC#N)CO;FWFCYMPMIJYJRP-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365621;MM365621;O=CC12CC(CO)CC1C2;KXTGFSZGTQZPFR-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365622;MM365622;C=CC=NN=CC(C)CF;RSDLQRQWEFXWIG-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365623;MM365623;N#CC1=CC2(CO)CC1C2;LZDOHLNVTUBWAD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365624;MM365624;C=CC=NN=CC(O)CC;ZHOOHVZRBUXCII-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365625;MM365625;CCCCON=C(N)C=O;PELUFBCYLGDGDK-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365626;MM365626;CCC(O)C=NN=CC#N;IVPRLOWBHDADGJ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365627;MM365627;C#CC1NN=C(C=O)C1=C;GGWVNHMKXYTZJX-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365628;MM365628;C=CC=NN=CC(O)CN;SONSBSHHGWSOKK-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365629;MM365629;C#CC1C(C)C1C(C)CO;IYXPVNRPJBINOR-UHFFFAOYSA-N;138.21;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365630;MM365630;C=CC=NN=CC(O)CO;DCUAPPIZABHBKO-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365631;MM365631;O=C(O)C(C=CCF)=NO;CGNPUPJHKKJXKG-UHFFFAOYSA-N;147.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365632;MM365632;C=CC(=N)NOCCNC;AETDVPUOMJLJDF-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365633;MM365633;C=CC=NN=CC(F)CC;KUZWWNVGASAULP-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365634;MM365634;CCC(F)C=NN=CC#N;DFLKYWTVJXAYTM-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365635;MM365635;CNCCON=C(N)C=O;RXMALYHVPBKDEM-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365636;MM365636;C=CC(C=C)CCC(C)O;HEOKCIXHXFJDST-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365637;MM365637;C=CC(=O)NOCCOC;KYMZDSLUGKWUJS-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365638;MM365638;O=CC=NN=CC(F)CF;WKTHERGCBVUEDR-UHFFFAOYSA-N;148.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365639;MM365639;C=Cc1nnn(O)c1O;MANUTXDNVVNGTK-UHFFFAOYSA-N;127.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365640;MM365640;N#CC=NN=CC(F)CF;XUKACDGRHQHMMP-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365641;MM365641;CCOCON=C(N)C=O;YAIOHISIPJKUFO-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365642;MM365642;C=CC=NN=CC(C)OC;DVQSGGUDMFGTDC-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365643;MM365643;C=NOC1CC1C(=O)C=O;ANVVLNUNFONIAJ-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365644;MM365644;COC(C)C=NN=CC=O;ZKVVCGATJMLSEA-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365645;MM365645;C=CC(=O)NOCOCC;NFJCRZVDFGCLON-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365646;MM365646;COC(C)C=NN=CC#N;ZKCPUMOXIITETM-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365647;MM365647;C=C(C#N)OCCCCC;SMOYTQIAOWMGHM-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365648;MM365648;C=C(C=O)OCCCCF;WBCNEEDTAACRMQ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365649;MM365649;CCN(C)C=NC=CC=O;DGBLAFNIOCHJSX-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365650;MM365650;CCCCCOC(=O)C=O;JLXKKJMDDIHVAH-UHFFFAOYSA-N;144.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365651;MM365651;CCN(N)C=NC=NC=O;ANZUNPSOPJYDMV-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365652;MM365652;CCCCCOC(=O)C#N;XSCAQBTWONWBTB-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365653;MM365653;C=CC(C=O)CCC(C)O;GFMSVXUOMCBABF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365654;MM365654;C=C(C=O)OCCCOC;BIIMURPLOOKGCH-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365655;MM365655;C=NN=CN=CN(N)CC;KJIOUBNNAMREJK-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365656;MM365656;C=C(C#N)OCCNCC;USWPFSJIFLJKRR-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365657;MM365657;C#CC(C)CC1(CO)CC1;JRALRLATJYAQEA-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365658;MM365658;C=CC(=O)OCCNCC;BDKSYBXVYUGXIG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365659;MM365659;C=NN=CN=CN(C)OC;CLROESDBBIETBV-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365660;MM365660;CCNCCOC(=O)C=O;XQWLHYSNLVFCQR-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365661;MM365661;C=CC=NN=CN(C)CC;ZRKGIQXSHQZUJP-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365662;MM365662;C=CC(=C)OCCOCC;DWLHARJFJVKSCO-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365663;MM365663;C=CC(=C)C(=C)C(C)CO;QGAVLPGURXXXTO-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365664;MM365664;C=C(C=O)OCCOCC;LOWPADGWRDEVFK-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365665;MM365665;C=CC=NN=CN(N)CC;PVGLNIFXIWZTDK-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365666;MM365666;C=C(C#N)OCCOCC;ZVUXFHCSIYZGLM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365667;MM365667;C=C(C=O)C(=C)C(C)CO;YFDBORKAWNRPDJ-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365668;MM365668;CCOCCOC(=O)C#N;HCYFHTAMKDSMDK-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365669;MM365669;C=CC=NN=CN(C)OC;VOKVAQBOVUTDSW-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365670;MM365670;C=CC(=C)OCOCCC;BBXAWVFXUQGJPX-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365671;MM365671;CON(C)C=NN=CC#N;RUTLEVNMVGMTBP-UHFFFAOYSA-N;140.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365672;MM365672;C=CC(=C)OCOCCN;CYYBSDREUIURCL-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365673;MM365673;C#CC=CC=CC(C)CN;ORAIVLPNGIKSID-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365674;MM365674;C=CC(=C)OCOCCO;RTZVVEAQLKFLGU-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365675;MM365675;C#CC(C)C(O)C=CC=C;OWGOAHFWOWAVQF-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365676;MM365676;C=C(C#N)OCOCCC;MLQLEPZKZJURFB-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365677;MM365677;C#CC=CC=CC(C)CF;QHBFSAZXJZLUDC-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365678;MM365678;C=C(C#N)OCOCCO;ZUZAHGMPVGIRJA-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365679;MM365679;C#CC=CC=CC(N)CC;MILYCNKZBHSWCS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365680;MM365680;C=CC(=O)OCOCCC;RPGBCXPLDSDRMQ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365681;MM365681;C#CC=CC=CC(N)CN;MSKWRRAXVFFNMK-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365682;MM365682;C=CC(=O)OCOCCO;XOODDDSYHGHORV-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365683;MM365683;C#CC=CC=CC(N)CO;TVMRTITWPQRPFV-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365684;MM365684;O=CC(=O)OCOCCO;LGOKQDRZZYPLHO-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365685;MM365685;C#CC=CC=CC(N)CF;FPZSWKJLJXUYLH-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365686;MM365686;C=CC(=C)OCOCOC;DRXYBHUDXVRHDG-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365687;MM365687;C#CC=CC=CC(O)CO;LATPXWNGWDOZGW-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365688;MM365688;C=CCCCCC(=C)C=C;URHMUCPBNRKQGH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365689;MM365689;C#CC=CC=CC(F)CC;RQOKUHPSZHPDIM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365690;MM365690;C=CC(=C)CCCCC=O;IGXVYZWYODCEBF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365691;MM365691;C#CC=CC=CC(F)CN;JMHSIXDAJXZQFY-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365692;MM365692;C=CC(=C)CCCCC#N;YNBQLTQWZNDJQN-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365693;MM365693;C=CCCCCC(=C)C=O;JUZJHGPSGPQSCM-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365694;MM365694;C#CC=CC=CC(F)CO;MEZKSDFOHILBBV-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365695;MM365695;C=C(C#N)CCCCC=O;IPEPBGXDJYPDHS-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365696;MM365696;C#CC=CC=CC(F)CF;PWPLRYUZVRDTDF-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365697;MM365697;C=C(C#N)CCCCC#N;YDMPAOMEVJTLAY-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365698;MM365698;C#CC=CC=CC(C)NC;PHLFQJFZVVCMIC-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365699;MM365699;C=CCCCCC(=O)C=C;AOOMMRGUYCDOKA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365700;MM365700;C#CC=CC=CC(C)OC;XETHFBLNXPIHDU-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365701;MM365701;C=CC(=O)CCCCC=O;MILFEJCZBFTITB-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365702;MM365702;C#CC=NN=CC(C)CC;NVOXRNNJLVVZLG-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365703;MM365703;C=CCCCCC(=O)C=O;BLRQTJREUNHRBK-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365704;MM365704;C#CC=NN=CC(O)CN;JEKFKRLKNAUBDZ-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365705;MM365705;C=CCCCCC(=O)C#N;WTOUTPYBSODADV-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365706;MM365706;C#CC=NN=CC(O)CO;UEPIXIDNJPFVTE-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365707;MM365707;C=CC(=C)CCCNC=N;ZOGZEMOWRZVDFM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365708;MM365708;C#CC=NN=CC(O)CF;ZFQYUGDZAZOPGL-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365709;MM365709;C=CC(=O)CCCNC=N;JFMGFZBQCKFFOO-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365710;MM365710;C#CC=NN=CC(F)CN;RQLGJEADMOUDFP-UHFFFAOYSA-N;141.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365711;MM365711;C=CC(=C)CCCNN=C;GDYUAPZNPKHPNS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365712;MM365712;C#CC=NN=CC(F)CO;UEDHHAAOOGPWKH-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365713;MM365713;C=NNCCCC(=C)C#N;MOZQJQKCZZLHOD-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365714;MM365714;C#CC=NN=CN(C)CC;LTOJYXAPTGEOBL-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365715;MM365715;C=C(C#N)CCCOC=O;IKEOKXZDFCBTFQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365716;MM365716;C#CC=NN=CN(N)CC;MPOCJHVTXLHQML-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365717;MM365717;C=COCCCC(=O)C#N;WFQABLQFSHODLS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365718;MM365718;C#CCCC1CC1(O)C=C;HWDWBPQNLLERFY-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365719;MM365719;C=CCNCCC(=C)C=C;WYIAXWIXLBZRFH-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365720;MM365720;C#CC=NN=CN(C)OC;UNZGQXAGAMEMGT-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365721;MM365721;C=CCNCCC(=C)C#N;UOOAMGTZBLMROV-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365722;MM365722;C=CC(C)C=CC=CCC;PSYTYFFLFNIFOR-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365723;MM365723;C=C(C=O)CCNCC#N;DCWDCFQNNPPOKQ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365724;MM365724;CCC=CC=CC(C)C=O;YYKGUDLHXXORJW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365725;MM365725;CC=NN=CC=CCC=O;XBXUSGNEDLYXSV-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365726;MM365726;CC(C=O)C=CC=CCO;MRSQJLYZLAJVIN-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365727;MM365727;C=NN1CC1C#CCC=O;SONWQAMMRQXTHW-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365728;MM365728;CC(C#N)C=CC=CCO;DVZQKJBPEILKQG-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365729;MM365729;C=CC(=C)CCNNC=N;YOSBVSHHXXEOKH-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365730;MM365730;CC(C=O)C=CC=CCF;ODJLNQMGZBHGGO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365731;MM365731;C#CC(C=O)CCN1CC1;KNSQDDNBUIWNOO-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365732;MM365732;CC(C#N)C=CC=CCF;PCFVFUWELDTPGR-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365733;MM365733;CC1CCC(CO)C1;PNZNVGRTAKUKGI-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365734;MM365734;C=CC(N)C=CC=CCC;NMPJELXHKLTMGN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365735;MM365735;CC(CO)C1CC1C;FECKHFYXJPFVFT-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365736;MM365736;C=CC(N)C=CC=CCF;BLCPKFJETKYIGE-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365737;MM365737;N=CNNCCC(=O)C=O;OZFJNQFDJQYQHL-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365738;MM365738;C=CC(=CC=O)C(C)CO;WATZOYHHCYOEPM-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365739;MM365739;C=CCOCCC(=C)C=C;SDJKYEZVIBUKDF-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365740;MM365740;C=CC(O)C=CC=CCN;ISAQCTNEGHZKBY-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365741;MM365741;C=CC(=C)CCOCC#N;HBXKLULPGSCTRI-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365742;MM365742;C=CC(O)C=CC=CCO;FIECBZLBEGTELJ-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365743;MM365743;C=CCOCCC(=C)C#N;OXLVXTVKMQTMFG-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365744;MM365744;CCC=CC=CC(O)C=O;SCQBCTLKNVWPCU-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365745;MM365745;C=C(C#N)CCOCC=O;FJFPDPBMABLTHU-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365746;MM365746;CCC=CC=CC(O)C#N;JVFJINUBMGGQPA-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365747;MM365747;C=C(C#N)CCOCC#N;VZHKBHIGFPHMEC-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365748;MM365748;N#CC(O)C=CC=CCF;FUDACVILQXJOJM-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365749;MM365749;C=CC(=C)CCONC=N;FPPUINZEXYCSCM-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365750;MM365750;C=CC(F)C=CC=CCN;PHJGCEBHWZFANM-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365751;MM365751;C=CC(=C)CCONC=O;VMBKMPCOEWVXQJ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365752;MM365752;N#CC(F)C=CC=CCO;DNDCOXGLFQZZOG-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365753;MM365753;C=C(C#N)CCONC=O;HEICPRZBTQODPR-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365754;MM365754;O=CC(F)C=CC=CCF;GOWLPLYINZPVPV-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365755;MM365755;C=CC(=C)CNCCC=O;RALIYYGWBBFKOO-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365756;MM365756;COC=CC=CC(O)C#N;ZQYQQDZAYUTFDG-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365757;MM365757;C=CCCNCC(=C)C=O;OVPMEOGTXACHSA-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365758;MM365758;CNN=CC=CC(C)C#N;HRMCUFWIRDVIMK-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365759;MM365759;C=C(C#N)CNCCC#N;GKNNIXADQBHCEL-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365760;MM365760;C=CC(N)C=CC=NNC;USAXWCVBKCZBNV-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365761;MM365761;C=CCCNCC(=O)C=C;XDZMAIXBVVNNRQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365762;MM365762;C=C(C=O)CC1C(C)C1O;WYGOVVUHDXIUIA-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365763;MM365763;O=CCC#CC1CN1;CXTAYTBLCZZDDR-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365764;MM365764;CNN=CC=CC(F)C#N;MKZZJQIMDFYSSU-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365765;MM365765;C=CC(=C)COCCC=O;JWURWNWSPJPKGO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365766;MM365766;CON=CC=CC(C)C#N;BBNNRUFIOYZJNT-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365767;MM365767;C=CCCOCC(=C)C=O;VDTDYVLKDJHTFY-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365768;MM365768;C=CC(N)C=CC=NOC;QFTMHSBXYSJPGM-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365769;MM365769;C=C(C#N)COCCC=O;JFQPEJIEQOLISG-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365770;MM365770;C=CC(C=O)CNCC#N;WMYJIFCPACJXHT-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365771;MM365771;C=CCCOCC(=O)C=C;KPTYTTUQPHIPCG-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365772;MM365772;CON=CC=CC(F)C#N;QGGNTXRAHCICLS-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365773;MM365773;C=CCCOCC(=O)C#N;IBRICYYYVUUDKH-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365774;MM365774;C=CC=NOC(C=O)CC;DQXWDIMTDQBEMB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365775;MM365775;N#CC(=O)COCCC=O;ALLZSBYALLUMCF-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365776;MM365776;CNC(C#N)C#CC=CF;ICACLVFNNXVQPP-UHFFFAOYSA-N;138.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365777;MM365777;C=COCOCC(=C)C#N;HTWNWUOQBAUFTF-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365778;MM365778;CCC=NN=CC(C)C#N;NLICIOUIIUEHHV-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365779;MM365779;C=C(C=O)COCOC=O;FFXKKZGFUHVRSW-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365780;MM365780;CC(C=O)C=NN=CCO;VRGYBDROSPRFDC-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365781;MM365781;C=C(C#N)COCOC=O;BADJRSOQEFXFLS-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365782;MM365782;C=CC(O)C=NN=CCC;BIGZAOOTPCMBRJ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365783;MM365783;C=CC(=O)COCOC=O;DEGXONYACVYVDJ-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365784;MM365784;C=CC(O)C=NN=CCO;LLFRXPFCXJMQIQ-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365785;MM365785;C=COCOCC(=O)C=O;AUEJDWQTHWREFR-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365786;MM365786;O=CC(O)C=NN=CCO;HKHUWYYSZSSBKC-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365787;MM365787;N#CC(=O)COCOC=O;SWEXFALIVXLVQT-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365788;MM365788;C=CC(F)C=NN=CCC;OHPHKMDQVQRGEF-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365789;MM365789;C=NOCOCC(=C)C#N;GAKCOIWUGHGEBN-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365790;MM365790;C=CC(F)C=NN=CCO;FGIGZWGUBDFDJZ-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365791;MM365791;C=CCCCNC(=N)C=C;KVDBQLFFULNKKC-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365792;MM365792;C=C(C#CC)CC(C)O;VRVJTABBQAQTIK-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365793;MM365793;CCC=NN=CC(F)C#N;LZRZYJMCYIXGSR-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365794;MM365794;CC(C)(C=CC#N)CO;UMAWRXVFIAEPSG-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365795;MM365795;N#CC(F)C=NN=CCO;GAKYSYMFSUWRNT-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365796;MM365796;CC1(C=O)CC(=O)CN1;ZOSKBBNAAQSXLM-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365797;MM365797;C=CC(C)C=NN=COC;MGQBGEFSMGIOFM-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365798;MM365798;C=CCCCNC(=O)C=O;YBGWPJFVEKYAME-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365799;MM365799;COC=NN=CC(C)C=O;XJJWWTPTPFLHGP-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365800;MM365800;C=CCCCNC(=O)C#N;AREHYGZFIHZVQX-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365801;MM365801;C=CC(O)C=NN=COC;ILOBIEHRYFHLGG-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365802;MM365802;O=CCCCNC(=O)C=O;NAJPFVMFRACLSG-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365803;MM365803;C=CC(F)C=NN=COC;OYIPWBJBLCKSRP-UHFFFAOYSA-N;144.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365804;MM365804;C=CC(CO)CC(C)C;NJVRIXIPFDWUMT-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365805;MM365805;COC=NN=CC(F)C#N;HFKHOLCUZQWTNQ-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365806;MM365806;C=CC(=N)NCCNN=C;MXFOOCOLFFLFJK-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365807;MM365807;CN(C=N)C=CC=CCN;MTBUDGXHAZTFQY-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365808;MM365808;CCC(C=C(C)C)CO;ZBPLYXYQXKWBJG-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365809;MM365809;CN(C=N)C=CC=CCO;UCWUYDRNQGFPOU-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365810;MM365810;C=COCCNC(=N)C=C;LCISOUDCSYHDSJ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365811;MM365811;CN(C=O)C=CC=CCF;ZVTLGRGLPMXZMI-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365812;MM365812;N=CN(N)C=CC=CCF;QPXXILKYKFJIPC-UHFFFAOYSA-N;143.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365813;MM365813;C=COCCNC(=N)C=O;MQULIYFGXZWCOK-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365814;MM365814;CCC=CC=CN(N)C=O;MYJNSXWJPXJPHW-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365815;MM365815;C=C(C(C)C)C(C)CO;BCXZIAVJXIIPCN-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365816;MM365816;NN(C=O)C=CC=CCF;AADWEJYUYPFGGO-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365817;MM365817;N#CC(=N)NNCC=O;LCVOAROTVCDWLA-UHFFFAOYSA-N;126.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365818;MM365818;CCC=CC=CN(O)C=N;WDEZSWQHTSKWDT-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365819;MM365819;CC1C(F)CC(=O)N1N;UAJXWYIFGPDCKB-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365820;MM365820;N=CN(O)C=CC=CCN;FKSGSDCDEYNBFL-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365821;MM365821;C=C1C=C(CC)CC1O;OCZPLSIYJGLODC-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365822;MM365822;O=CN(O)C=CC=CCF;KWCUJXJCDBRVIE-UHFFFAOYSA-N;145.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365823;MM365823;C=CC(=O)NNCCC#N;GSTYQWCODWJIPL-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365824;MM365824;COC=CC=CN(C)C=N;TZIMIPGTOFJPOW-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365825;MM365825;N#CCCNNC(=O)C=O;LEJFMNMOEVRLHB-UHFFFAOYSA-N;141.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365826;MM365826;COC=CC=CN(C)C=O;OQJZXVFRZYOHOW-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365827;MM365827;C=CCCONC(=O)C=C;KWIAWMNPNDALRA-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365828;MM365828;COC=CC=CN(O)C=N;PVPXKLRCPRXIOP-UHFFFAOYSA-N;142.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365829;MM365829;C#Cc1nnn[nH]1;AXIWVWLGMJTSMV-UHFFFAOYSA-N;94.08;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365830;MM365830;COC=CC=CN(O)C=O;DNDMYJJNWFJVAA-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365831;MM365831;C#CC(F)(C#C)C=NO;SEQFQQOEUGORDK-UHFFFAOYSA-N;125.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365832;MM365832;CCN=CN=CN(N)C=O;CQJUHBSMUSLYNG-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365833;MM365833;N#CC=C1CCC(O)C1;BKNOGOOTVIUOED-UHFFFAOYSA-N;123.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365834;MM365834;Cn1ncc(NN)nc1=O;WTNJDPPOCNMHNM-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365835;MM365835;C=CC(=O)NOCOC=O;PLYNEKQWJUXKEG-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365836;MM365836;CNN=CN=CN(C)C=N;ZCOQPSLEGMFYEA-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365837;MM365837;C=C(N=CNC=O)C(=O)O;UYZIBGTWPRZVPK-UHFFFAOYSA-N;142.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365838;MM365838;CON=CN=CN(C)C=N;ZOHOTLUOEDTNRY-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365839;MM365839;COn1nc(O)n(N)c1=O;YOIXBAZKEPKLPI-UHFFFAOYSA-N;146.11;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365840;MM365840;O=CC=C1N=CN(C=O)N1;YDONREDGARFBMI-UHFFFAOYSA-N;139.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365841;MM365841;CC1=NNC(=CC#N)O1;NQWNXBRASXVLBX-UHFFFAOYSA-N;123.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365842;MM365842;C=NN(C)C=NC=NCC;STHFGAKWAYUYCV-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365843;MM365843;C=CCCCOC(=C)C=C;QXEDESFBKOQKKF-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365844;MM365844;C=NN(C)C=NC=NOC;GUABCWSBNDEQBL-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365845;MM365845;C=CCCCOC(=C)C#N;ULOOHDUXJKZGOX-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365846;MM365846;C=CN(C)C=NN=CCC;MRUGAERIIKVPPH-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365847;MM365847;C=C(C=O)OCCCC#N;OHTXHPJTAYTRCP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365848;MM365848;CCC=CCC1C(C)C1O;PEKSEGUJEBFWHN-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365849;MM365849;C=CCCCOC(=O)C#N;QRZGQLYQEOTRQP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365850;MM365850;O=CC#CCNN=CC=O;JLBIUCHDQXCHJX-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365851;MM365851;O=CCCCOC(=O)C=O;XBBLUFBNDNJZEF-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365852;MM365852;CCC(C#CC1CN1)C=O;GHGWCBICUXZCAU-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365853;MM365853;C=CC(=C)OCCNC=N;VYKYTHQMJUDNJQ-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365854;MM365854;CC1CCC1O;HVPLFSASJVVSHR-UHFFFAOYSA-N;86.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365855;MM365855;C=C(C#N)OCCNC=N;GVPOASWSGBJWNP-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365856;MM365856;C=CN(C)C=NN=COC;MKCQFBCNHUDGJQ-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365857;MM365857;C=C(C=O)OCCNC=O;FHNGDXQFLLQOOD-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365858;MM365858;C=NN(C)C=NN=CCC;BUZXQXFEXUVLTK-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365859;MM365859;C=COCCOC(=C)C=O;KWYRXTKQWCNRME-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365860;MM365860;C=CC(O)CC(=C)C;AVMGRIXBDWUWFN-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365861;MM365861;C=C(C#N)OCCOC=O;YSMKZBGCGXJPFG-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365862;MM365862;CCC=CC=NN(C)C=N;UJMQIQYAQGYEMF-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365863;MM365863;C=CC(=O)OCCOC=O;RJTQIGKJCAXHLT-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365864;MM365864;C=CCCCC(C)O;RVXLYPSYVXXSQE-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365865;MM365865;N#CC(=O)OCCOC=O;WCXGYNYLWAZGNO-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365866;MM365866;CN(C=N)N=CC=CCF;XAESKHAAUFEAGF-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365867;MM365867;C=CC(=C)OCCON=C;HCVZOMQMXLJFNF-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365868;MM365868;CCC=CC=NN(C)C=O;UITGFTFMOKMMCX-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365869;MM365869;C=NOCCOC(=C)C#N;JLOSLHBWIRIQLT-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365870;MM365870;C=CCC(O)C=CC;SIYWFIPUQCEZII-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365871;MM365871;C=CC(=O)OCCON=C;VHKKPSCRWLBGGY-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365872;MM365872;CN=NC=CNN(C)C=N;BJWDLCHDVFJTRV-UHFFFAOYSA-N;141.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365873;MM365873;C=NOCCOC(=O)C=O;HLJNOUVAFQKPDA-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365874;MM365874;CCC1CC1(C)CO;HWEOUQRUUBUANF-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365875;MM365875;C=CCOCOC(=C)C=C;FVMCJZFVDSUYSC-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365876;MM365876;C=CC(C)C=CC=CC=O;WBFILTNWMBLERU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365877;MM365877;C=CC(=C)OCOCC#N;PLOLXDMELMGXED-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365878;MM365878;C=CC=CC=CC(C)C=O;QQENLCZJZODWOK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365879;MM365879;C=CCOCOC(=C)C=O;ZWIAEZJQICAZLH-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365880;MM365880;C=CC=CC=CC(C)C#N;BBVFTZSKQHESEM-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365881;MM365881;C=CCOCOC(=C)C#N;VVINNBFJHFAMMG-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365882;MM365882;CC(C=O)C=CC=CC=O;XKIOEAHWOUJTNF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365883;MM365883;N#CCOCOC(=O)C=O;XZOKESQQMOVMMM-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365884;MM365884;CC(C#N)C=CC=CC=O;FGXQOOKYCKZNSY-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365885;MM365885;N#CC(=O)OCOCC=O;KODZEPFBMATWKE-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365886;MM365886;CC(C#N)C=CC=CC#N;AKKFITKWUZMIAZ-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365887;MM365887;C=CC(=C)OCONC=N;HOJXBJWTBKCHTH-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365888;MM365888;C=CC=CC=CC(N)C=C;HBDSFNLKEJELPY-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365889;MM365889;C=CC(=C)OCONC=O;NZTWBYSVMGGHPV-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365890;MM365890;CCCC1(CO)CC1;USDQPTDAKYKATD-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365891;MM365891;C=C(C#N)OCONC=N;VLVCNQKWXSPUKN-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365892;MM365892;C=NOCOCC=O;HSOVCKLGWHMEIJ-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365893;MM365893;C=C(C=O)OCONC=O;XTKMMMFKHFEAEM-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365894;MM365894;C=CC=CC=CC(O)C#N;DUGKEKZPCRSFHD-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365895;MM365895;C=CC(=O)OCONC=O;CDSRAVJUBMMBCG-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365896;MM365896;C=CC=CC=CC(F)C=C;LUJPOKLORDPYEX-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365897;MM365897;O=CNOCOC(=O)C=O;USLUAERACSTGEN-UHFFFAOYSA-N;147.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365898;MM365898;C=CC(F)C=CC=CC#N;BIOFAJVEDSCYOD-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365899;MM365899;N#CC(=O)OCONC=O;SZIIODXWFFCNPU-UHFFFAOYSA-N;144.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365900;MM365900;C=CC=CC=CC(F)C=O;RDPWZRVXDBBZOV-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365901;MM365901;C#CCCCCC(=C)C=C;GONPCWQNRWCIOS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365902;MM365902;C=CC=CC=CC(F)C#N;KZBCWQLRDCLFLO-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365903;MM365903;C#CCCCCC(=C)C=O;QLHAXEDLPUZYDU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365904;MM365904;N#CC(F)C=CC=CC=O;HZTQZDUECSLEKA-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365905;MM365905;C#CCCCCC(=C)C#N;OIUZPANTBBYULR-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365906;MM365906;N#CC=CC=CC(F)C#N;MSGJETGRDWYRJR-UHFFFAOYSA-N;136.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365907;MM365907;C#CCCCCC(=O)C#N;HRSWKBPTYGSHBV-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365908;MM365908;C=NN=CC=CC(C)C#N;MGAIVLWHGWUWLG-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365909;MM365909;C#CCNCCC(=C)C=C;YDYSGRMYCFVPIU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365910;MM365910;C=CC(N)C=CC=NN=C;IHIYVIGRYDGLKO-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365911;MM365911;C#CCNCCC(=O)C=C;FTEFDPVIUNZOJS-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365912;MM365912;C=NN=CC=CC(O)C#N;HFBQTNQIEJYPDM-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365913;MM365913;C#CCOCCC(=C)C=C;DHRWCGVRMMULOU-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365914;MM365914;C=NN=CC=CC(F)C=O;OCFAMXCGHCIJBN-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365915;MM365915;C#CCOCCC(=C)C=O;IMSBEQYMNQXTOU-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365916;MM365916;C=CC=NN=CC(C)C=C;KYTWNMVPVVRFLH-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365917;MM365917;C#CCOCCC(=C)C#N;RBPGBXQVBHEXOH-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365918;MM365918;C#CC(C)=CC(C)(C)O;LAMHSHNXLUOXQM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365919;MM365919;C#CCOCCC(=O)C=C;JNPBNQOAPBZKMH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365920;MM365920;CC(C=O)C=NN=CC=O;CHCOOYSQTCJXJR-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365921;MM365921;C#CCCNCC(=C)C=C;BEHILAVBOKOHMK-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365922;MM365922;CC(C=O)C=NN=CC#N;FWQXQJQGCUVKIZ-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365923;MM365923;C#CCCOCC(=C)C=C;FJQAQDUHTPGESR-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365924;MM365924;C=CC=NN=CC(O)C=C;ACRIPJHWWBNKRE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365925;MM365925;C#CCCOCC(=C)C=O;OSOGMSCFFKBDMS-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365926;MM365926;C=CC(O)C=NN=CC=O;YQPYUAHVBNENOQ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365927;MM365927;C#CCCOCC(=C)C#N;IEKHAGLQNIYOJT-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365928;MM365928;C=CC=NN=CC(O)C=O;JCHJVXZMVBCSQT-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365929;MM365929;C#CCCCNC(=N)C#N;SYHFZJCNUNHXFJ-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365930;MM365930;O=CC=NN=CC(O)C=O;KDDOZJIXMCAOFG-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365931;MM365931;C#CCCCNC(=O)C#N;UOXGLILHXAWJOO-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365932;MM365932;C=CC=NN=CC(F)C=C;NEAHRBBODFZGTG-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365933;MM365933;CCCc1ncc(N)o1;QQXSTVNCIMUDRJ-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365934;MM365934;C=CC(F)C=NN=CC=O;BNGGQYSMTXWDSA-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365935;MM365935;C=CC1CC(CO)C1C;WAAHTPCBZMCBMX-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365936;MM365936;C=CC(F)C=NN=CC#N;UXXVWHLTUPXOTM-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365937;MM365937;CC(O)(C(=O)O)C(N)=NO;ZPWVTEQHVYWRJR-UHFFFAOYSA-N;148.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365938;MM365938;C=CC=NN=CC(F)C#N;DEBGFQLMVOPYOO-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365939;MM365939;C#CCCCOC(=O)C#N;FTUCYZZVBJYOIR-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365940;MM365940;N#CC(F)C=NN=CC=O;RLFYQMYZWPZVGU-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365941;MM365941;C#CCOCOC(=C)C#N;CZVJRSCPDMRQIH-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365942;MM365942;N#CC=NN=CC(F)C#N;JZAUSMNFGSMWSM-UHFFFAOYSA-N;138.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365943;MM365943;C#CCOCOC(=O)C=O;ZJMHTPURIULHPX-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365944;MM365944;C=CC=CC=CN(C)C=O;TWFMLHVCWUIEHL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365945;MM365945;C#CCOCOC(=O)C#N;UDCRFEXTLKCNDZ-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365946;MM365946;C=CC=CC=CN(N)C=N;GRJGEYYMWBZARC-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365947;MM365947;CC1C(C=O)CC1CO;SZZYDQOZBDNUSN-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365948;MM365948;C=CC=CC=CN(O)C=N;IWAGPNKRGKETEJ-UHFFFAOYSA-N;138.17;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365949;MM365949;C#CC(=O)CCCCCC;OQKBMYOIFQSECJ-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365950;MM365950;N=CN(O)C=CC=CC=O;KJSMUILHPFLIIL-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365951;MM365951;C#CC(=O)CCCCCF;YPVDUUWXLMRXGZ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365952;MM365952;C#CC(=C)CCCCNC;MOJAOPGOIAPWMV-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365953;MM365953;C=CC=CC=CN(O)C=O;SAFZDYTZNIHRHL-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365954;MM365954;C#CC(=O)CCCCNC;JXPLBWGOHZSRCX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365955;MM365955;O=CC=CC=CN(O)C=O;DBAMBDZOCXDPNU-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365956;MM365956;C#CC(=C)CCCOCC;LRRRNHYESJHJBE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365957;MM365957;C=NN=CC=CN(C)C=N;FUUJUZQICQUTLT-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365958;MM365958;C#CC(=C)CCNCCC;ZNOSIIDWUCGBMA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365959;MM365959;C=NN=CC=CN(C)C=O;NYWHWIHGBHXNRR-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365960;MM365960;C#CC(=C)CCOCCO;RZVWPUUHLMXBPH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365961;MM365961;C=NN=CC=CN(N)C=O;HXXLJRYUVYMBAP-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365962;MM365962;C#CC(=O)CCOCCC;RXXWVNGPXMSOAC-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365963;MM365963;C=NN=CC=CN(C)N=C;MJTAFBBLGUEMIZ-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365964;MM365964;C#CC(=C)CCOCOC;NYUYCBNMHNDWOV-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365965;MM365965;CN(C=O)C=NC=CC#N;CLOIYGGTOMMBJW-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365966;MM365966;C#CC(=C)CNCCCC;AXGQGXZCYDMJBL-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365967;MM365967;CN(C=O)C=NC=NC=O;RAOTZHDYGACBRQ-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365968;MM365968;C#CC(=C)CNCCCN;WSLWULGANHGPBB-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365969;MM365969;C=CC12C=CC(O)(C1)C2;ZQNQPIHOTQQUET-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365970;MM365970;C#CC(=C)CNCCNC;GVKIIEPNTJJJDZ-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365971;MM365971;C=NN=CN=CN(C)N=C;CNZNKTDUZMGDHC-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365972;MM365972;C#CC(=C)COCCCC;CPEAZGFSVIUSEM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365973;MM365973;C=CN(C)C=NN=CC=O;VSFWAWDABDZBFG-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365974;MM365974;C#CC(=C)COCCCO;DINPGKFYBZKPKW-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365975;MM365975;CC=CCCCC(C)O;LAQKDZSKBJYZCP-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365976;MM365976;C#CC(=O)COCCCC;GIIGNESHEWVOAJ-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365977;MM365977;C=CC=NN=CN(N)C=C;KTFVLVCMXRTPOI-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365978;MM365978;C#CC(=O)COCCCO;BYOVDJJVPYKVKB-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365979;MM365979;CC(O)CCCC=NN;KTBGPIDNUUHMEV-UHFFFAOYSA-N;130.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365980;MM365980;C#CC(=O)COCCNC;DISMOXRETHLWHA-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365981;MM365981;CCCC1CC1(C)CO;ORFHXELXDMJWAE-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365982;MM365982;C#CC(=C)COCCOC;PTMASFSLAIBXRF-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365983;MM365983;C=CC=CC=NN(C)C=O;QCGNXJWVZABPBV-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365984;MM365984;C#CC(=C)COCOCC;QTHYMSAAISPEPM-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365985;MM365985;C#CC=CC=CC(C)C=C;ZMJQICIVAGFKKO-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365986;MM365986;C#CC(=N)NCCCCN;WNNCZQKCHXJPFI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365987;MM365987;C#CC=CC=CC(C)C=O;YTTMZFGXAULMOG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365988;MM365988;C#CC(=N)NCCCCO;PROULDWIJHZODF-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365989;MM365989;C#CC=CC=CC(C)C#N;FMIQIDQPCUJTHN-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365990;MM365990;C#CC(=O)NCCCCC;UEMSQVOBVWQGPQ-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365991;MM365991;C#CC=CC=CC(N)C=C;CEDKGBYNZMHJDY-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365992;MM365992;C#CC(=O)NCCCCN;OSLBOLYGPVNWET-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365993;MM365993;CC1(CO)CC1CCF;PMWJEUIMNLPLMW-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365994;MM365994;C#CC(=N)NNCCOC;DDNPGFWWUSEPQP-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365995;MM365995;C#CC=CC=CC(O)C=O;GFRWANWXSYYPHV-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365996;MM365996;C#CC(=N)NOCCCN;JYNHZCVGKOKRSG-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365997;MM365997;C#CC=CC=CC(O)C#N;PXNYXFAURDMYOM-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365998;MM365998;C#CC(=O)NOCCCN;BPKVHZWDFDXZPU-UHFFFAOYSA-N;142.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM365999;MM365999;C#CC=CC=CC(F)C=C;PCYOHFJKPXNERU-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366000;MM366000;C#CC(=O)NOCCCO;GCTCFNFBJGOIHU-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366001;MM366001;C#CC=NN=CC(C)C=O;HAWXXKZPSIALGK-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366002;MM366002;C#CC(=O)NOCCOC;XNSROTLVFWAVSD-UHFFFAOYSA-N;143.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366003;MM366003;C#CC=NN=CC(O)C=O;DGJUKSBCRQSVNB-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366004;MM366004;C#CC(=C)OCCCCN;FSQIZWDWVREPPV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366005;MM366005;C#CC=NN=CC(F)C=C;QQPAZWZVWCEYIO-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366006;MM366006;C#CC(=C)OCCCCF;JGSAABIPIUJZCS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366007;MM366007;C#CC=NN=CC(F)C#N;FABZJUYDWJCQOP-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366008;MM366008;C#CC(=O)OCCCCC;WUYULWRYYBVPPJ-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366009;MM366009;C#CC=CC=CN(C)C=N;SVXJNCBPINXFRT-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366010;MM366010;C#CC(=C)OCCNCC;RQVSASJBRGWIFT-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366011;MM366011;C#CC=CC=CN(C)C=O;YLMFKHUOCJYYEH-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366012;MM366012;C#CC(=O)OCCOCC;PBAXDVJMLPQWGU-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366013;MM366013;C#CC=CC=CN(N)C=N;RLICTTDZMHEKGA-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366014;MM366014;C#CC(=C)OCOCCC;NRFFCXBRFLACJQ-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366015;MM366015;CCCCC1(CO)CC1;NUVWLAFUOJQERX-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366016;MM366016;C#CC(=C)OCOCCN;KEYLAMCWBBYBAL-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366017;MM366017;C#CC=NN=CN(C)N=C;QCOGRBBJEFHMAW-UHFFFAOYSA-N;136.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366018;MM366018;C#CC(=O)OCOCCC;PJEHVZXIFVGWRN-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366019;MM366019;C#CC(C)C=CC=CCC;INPSIZVHSJTPDY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366020;MM366020;C#CC(=C)CCCCC=C;HGZCZULKRALDOM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366021;MM366021;C#CC(C)C=CC=CCO;XBRDTKZKAFBFAA-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366022;MM366022;C#CC(=C)CCCCC=O;HGTCGYMDBZDELW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366023;MM366023;C#CC(N)C=CC=CCC;VASIKRRNPRBYGP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366024;MM366024;C#CC(=O)CCCCC=C;FXJCVTWEJZZPBI-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366025;MM366025;C#CC(O)C=CC=CCC;GPFLJEJSFYIXBA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366026;MM366026;C#CC(=C)CCCNC=N;VJAHYADGXYVMKB-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366027;MM366027;C#CC(O)C=CC=CCF;VJRUWGFMRHCFRE-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366028;MM366028;C#CC(=C)CCCNN=C;MOWMBUZFRHCMLJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366029;MM366029;C#CC(F)C=CC=CCC;SHDPZOJVKNYNHL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366030;MM366030;C#CC(=C)CCNCC=C;IRWDMHZCEYQZLK-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366031;MM366031;C#CC(F)C=CC=CCN;YYNSSBHDEWIJRY-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366032;MM366032;C#CC(=O)CCNCC=C;YQVMBWLSKHATAM-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366033;MM366033;C#CC(N)C=CC=NNC;KRKZGVKPUBGBSE-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366034;MM366034;C=C1C(CC)=CCC1O;SIVJRWYTQIQMNF-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366035;MM366035;C=CC(C)C=CC(C)(C)O;JHDPCLLDLYBQCJ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366036;MM366036;CNc1noc(C)c1C;KSNPCRVCOVEBJT-UHFFFAOYSA-N;126.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366037;MM366037;C#CC(F)C=CC=NOC;PNUUUXXTEXWRGS-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366038;MM366038;C#CC(=C)CCOCC=C;OPHJFSBZHQDACS-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366039;MM366039;C#CC(C)C=NN=CCO;PVCXDRQGLFPURO-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366040;MM366040;C#CC(=C)CCOCC=O;ZTZHZQRSPPTJKF-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366041;MM366041;C#CC(C)C=NN=CCF;UBBZHAJJHHMUFA-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366042;MM366042;C#CC(=C)CCOCC#N;VXZHZUXAVRMNTD-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366043;MM366043;C#CC(O)C=NN=CCO;BXAAAPJFFJVPHS-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366044;MM366044;C#CC(=O)CCOCC=C;WWMDYXQOUJYAJL-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366045;MM366045;C#CC(F)C=NN=CCC;PTNFPRXUUPPPEO-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366046;MM366046;C#CC(=O)CCOCC=O;GJYWMCGGHTVANJ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366047;MM366047;C#CC(=C)CNCCC=C;IWWYZZNTPCWIPN-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366048;MM366048;C#CC(F)C=NN=CCO;VKLZTMLDECLDFP-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366049;MM366049;CC1NC1C#CCC=O;VRYNDMGMLYJTSV-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366050;MM366050;C#CC(C)C=NN=COC;MECZHULRRSWZJA-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366051;MM366051;C#CC(=C)COCCC#N;XYOYPTRPTMKTNI-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366052;MM366052;C#CC(F)C=NN=COC;DYORJDLIJHBAEL-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366053;MM366053;C#CC(=C)COCOC=C;GSOLAZYOGNULSM-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366054;MM366054;C#CC(C)C=CC=CC=C;YMMGOIIGIZGMDW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366055;MM366055;C#CC(=C)COCOC=O;ZAEIUROXXRUALR-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366056;MM366056;C#CC(C)C=CC=CC=O;HZTGILPXVMGFLD-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366057;MM366057;C#CC(=N)NCCCC=C;NNSFDCABZOHXBG-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366058;MM366058;C#CC(C)C=CC=CC#N;SOPZUBAKNPXFDB-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366059;MM366059;C#CC(=O)NCCNC=N;HPJRQRAOHGDBTK-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366060;MM366060;C#CC(N)C=CC=CC=C;YGUHGPUONGJZFO-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366061;MM366061;C#CC(=N)NCCNN=C;WMLKYJAWVCFIRG-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366062;MM366062;C#CC(O)C=CC=CC=C;TXJYRQXMUAJRGR-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366063;MM366063;C#CC(=N)NCCOC=O;PXYLHPGPJZXAPA-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366064;MM366064;C#CC(F)C=CC=CC=C;JUOJACYHCHBDNG-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366065;MM366065;C#CC(=O)NCCOC=O;NYGVOLMMEBIIEH-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366066;MM366066;C#CC(F)C=CC=CC=O;HXWAHAQLJAZIPD-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366067;MM366067;C#CC(=N)NCCON=C;YRSUEHPRGLNPMZ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366068;MM366068;C#CC(F)C=CC=CC#N;FGJPZRIURMSKTK-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366069;MM366069;C#CC(=N)NNCCC=C;FEPYUNYECJQLKR-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366070;MM366070;C#CC(C)C=NN=CC=C;MBJOSVIKRZFTEB-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366071;MM366071;C#CC(=N)NNCCC#N;RILAUXCDAOHREF-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366072;MM366072;C#CC(C)C=NN=CC=O;XAYPODCSMSKMRM-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366073;MM366073;CN1CC1C#CCC=O;QQJFLSVHCWAIGV-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366074;MM366074;C#CC(C)C=NN=CC#N;URCPXPZCKNCGRF-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366075;MM366075;C#CC(=O)NNCCC#N;ZMQIJMNYXWTWIB-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366076;MM366076;CC(C=O)C=CC(C)(C)O;FIAHJQLLJXBPOD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366077;MM366077;C#CC(=O)NOCCC=O;KUPUADGXYMETCT-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366078;MM366078;C#CC(F)C=NN=CC=O;IEPIICULIRAOIX-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366079;MM366079;C#CC(=C)OCCCC=O;AAHUMHSKDCHJEV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366080;MM366080;C#CC(F)C=NN=CC#N;GUHIPOOEVJAKNI-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366081;MM366081;C#CC(=C)OCCCC#N;BPTXZRHIWLOFMV-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366082;MM366082;C#CC=CC=CC(C)C#C;WEQOGXSAVICLSP-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366083;MM366083;C#CC(=O)OCCCC=C;GYRINGDLTTWDRQ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366084;MM366084;C#CC=CC=CC(N)C#C;DNORHIOTMXBYNI-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366085;MM366085;C#CC(=C)OCCNN=C;FIGQJXIPTQHBRX-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366086;MM366086;C#CC=CC=CC(O)C#C;YTYWYJJIWPXQFB-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366087;MM366087;C#CC(=O)OCCNN=C;SMQCULQOTSVENN-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366088;MM366088;C#CC=CC=CC(F)C#C;SSSBPSNSCAOYRC-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366089;MM366089;C#CC(=C)OCCOC=C;CIBBHSMOMLCYQG-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366090;MM366090;C#CC=NN=CC(C)C#C;ZEYCSBUTNQRVOK-UHFFFAOYSA-N;132.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366091;MM366091;C#CC(=C)OCCOC=O;NLNAQSYRMOLZGA-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366092;MM366092;C#CC=NN=CC(O)C#C;SUPLNLUPYOGQSW-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366093;MM366093;C#CC(=O)OCCOC=C;DIKRNMAHKWOPHL-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366094;MM366094;C#CC=NN=CC(F)C#C;MRYYYPDXMVUPBL-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366095;MM366095;C#CC(=C)OCCON=C;FJHKJLFSRWVPAQ-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366096;MM366096;C=C(C=CC=CCC)CC;PLPXCYTUMKDQKX-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366097;MM366097;C#CC(=C)OCOCC=C;HORYNEXFPBTYGX-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366098;MM366098;C=C(C=CC=CCC)CO;ZQSMPTHLRGUTQK-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366099;MM366099;C#CC(=O)OCOCC=C;LYTQBUPZFNEMEU-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366100;MM366100;C=C(C=CC=CCO)CO;BVJIFKWSDHNBQL-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366101;MM366101;C#CC(=O)OCOCC=O;NNEFQOZNIINXJQ-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366102;MM366102;C=C(C=CC=CCF)CO;FDDXLJDQYDFORF-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366103;MM366103;C#CC(=C)OCONC=N;PEEBCTNWMUXDFJ-UHFFFAOYSA-N;140.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366104;MM366104;C=C(C=CC=CCN)CF;IBVRFPHHDBADTR-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366105;MM366105;C#CC(=C)OCONC=O;YZULWAMXOATCCR-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366106;MM366106;CCC=CC=CC(=O)CC;QXBIQFBTZVWQNR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366107;MM366107;C#CC(=O)OCONC=O;GSFOWCDEWKIVTM-UHFFFAOYSA-N;143.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366108;MM366108;CCC(=O)C=CC=CCO;JOHICWZLKQDNFB-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366109;MM366109;C#CCNCCC(=C)C#C;IWOKHXQNXMHMMZ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366110;MM366110;O=C(C=CC=CCO)CO;JKKQHDGHHAJXTL-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366111;MM366111;C#CCOCCC(=C)C#C;KLXYZRHEILLWAA-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366112;MM366112;O=C(C=CC=CCF)CF;CAPSMBJFXVKPRR-UHFFFAOYSA-N;146.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366113;MM366113;C#CCCOCC(=C)C#C;REXGUCNINSSFCL-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366114;MM366114;CCC(=O)C=CC=NNC;FFPDGBSNVUVHFN-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366115;MM366115;CC(O)CCCC=C(F)F;GQJIXKONBZMXJS-UHFFFAOYSA-N;150.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366116;MM366116;C#CCCOCC(=O)C#C;CMFYGUMSHTWLCL-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366117;MM366117;CC(O)CC1C(C)C1(C)C;NLMDLQIAHQYYNQ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366118;MM366118;C#CCCCNC(=N)C#C;RJBBOHKFHQVMAV-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366119;MM366119;C=C(C=CC=NOC)CN;ACKKRSCAOGUDMT-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366120;MM366120;C#CCCCNC(=O)C#C;PVPOKUXQUJVCMS-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366121;MM366121;C=CC(=C)CC1(C)CC1O;LXGSGERAZDAASS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366122;MM366122;C#CCCNNC(=N)C#C;XUDLHHNLKINITE-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366123;MM366123;CCC=CC=CC(=N)NC;NEBAUGONXALSEA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366124;MM366124;C#CCCONC(=O)C#C;VEPZVHQGIXAPJT-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366125;MM366125;CNC(=N)C=CC=CCN;BHCLVUAUEZKCFY-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366126;MM366126;C#CCCCOC(=O)C#C;GFZXUMUCYKMCDA-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366127;MM366127;CNC(=N)C=CC=CCO;FSXUKHAHUUNTMQ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366128;MM366128;C#CCOCOC(=C)C#C;ZUPJRGFKJLIYPW-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366129;MM366129;CNC(=N)C=CC=CCF;JDEGXEIIERFPIR-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366130;MM366130;CC=CCCCC(C)CN;BNLXGUIQZUYGSF-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366131;MM366131;CCC=CC=CC(=N)NO;TZNMLSFYQHJVMS-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366132;MM366132;C=NNCC(C=O)CC;HEDQGKDHURIAGB-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366133;MM366133;N=C(C=CC=CCN)NO;QMBLVLCZCZVOEF-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366134;MM366134;CC=CCCCC(C)CF;PBPAZZPVKSGPJJ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366135;MM366135;N=C(C=CC=CCF)NO;GEHIEXNEMROPJS-UHFFFAOYSA-N;144.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366136;MM366136;CC=CCCCC(N)CN;OMDMWXQBBLYVBI-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366137;MM366137;C=C(C=O)CC1(C)CC1O;XSHVLQHEYRWDMJ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366138;MM366138;CC=CCCCC(N)CO;QKZWWAKJHZEBIS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366139;MM366139;COC(=O)CCCC(C)O;KBKUVMOUCKJDBE-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366140;MM366140;CC=CCCCC(N)CF;XMHYSDZXUGEYAM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366141;MM366141;C=C(C=O)CCCC(C)O;VCDJUMLWDVTJRR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366142;MM366142;NC(CF)CCCC=CF;WNRSEOJOESOPID-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366143;MM366143;CCC=CC=CC(=O)NO;MRYFFXDGNHWJRQ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366144;MM366144;O=CCCC1(CO)CC1;HZIODULZYFGGAA-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366145;MM366145;O=C(C=CC=CCF)NO;SNYYPPOTVRLLTO-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366146;MM366146;CCC1CCC(CO)C1;OOXRLWVWALNZKU-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366147;MM366147;CNC(=N)C=CC=COC;PYJDKUPKVYZTSU-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366148;MM366148;CC=CCCCC(O)CN;CSMNJABMKAKWMK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366149;MM366149;COC=CC=CC(=N)NN;KXQMPVZMCBVUEY-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366150;MM366150;CC=CCCCC(O)CO;SFEGTADPTRXCCM-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366151;MM366151;COC=CC=CC(=N)NO;KMVUODQKVUULLJ-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366152;MM366152;OCC(O)CCCC=CF;HRPOLQBGAYDNSP-UHFFFAOYSA-N;148.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366153;MM366153;C=C(C#N)CCCC(C)O;LTWKSXRLTPDMGR-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366154;MM366154;CC=CCCCC(F)CN;WFNSOOXTUGQWBN-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366155;MM366155;CNN=CC=CC(=N)NC;VTSHULXZTQSXFO-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366156;MM366156;NCC(F)CCCC=CF;DWBSIPFXCNYMIJ-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366157;MM366157;CNN=CC=CC(=N)NN;YJBBFWLNZKWJMG-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366158;MM366158;CC(CF)CCCC=NN;CKFCQMJDYIRGRZ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366159;MM366159;CNN=CC=CC(=N)NO;YJOIJEPCBDLUDN-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366160;MM366160;NC(CF)CCCC=NO;BWQKULZGMYZXRQ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366161;MM366161;CON=CC=CC(=N)NN;VOTUIBZICJLFIL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366162;MM366162;OCC1CCC(CO)C1;AYVGBNGTBQLJBG-UHFFFAOYSA-N;130.19;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366163;MM366163;CON=CC=CC(=N)NO;WNKPFKKOQLXALB-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366164;MM366164;ON=CCCCC(O)CF;JCCKNBMKXJCEGI-UHFFFAOYSA-N;149.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366165;MM366165;C=CC(=O)CCCC(C)O;GCQKSUBRRRYFCI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366166;MM366166;CCC(F)CCCC=NN;HUXZKRYJSIVNQO-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366167;MM366167;C#CC(=O)CCCC(C)O;YYBHNZYAQLJQFT-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366168;MM366168;CNC(C)CCCC=CF;QPHMGQWBZCVBHI-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366169;MM366169;C=C(C=CC=CCC)OC;RDUUONDUTSRKPH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366170;MM366170;CNC(C)CCCC=NN;CZWIPDBOQRZORI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366171;MM366171;CNN=CC=CC(=O)OC;MYUFLWCMRFKFRH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366172;MM366172;CC=CCCCC(C)OC;UKBCWPPATXXSNK-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366173;MM366173;C=C(C=CC=NOC)OC;FOLCHTNXWGZEGZ-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366174;MM366174;CCC(C)CCN=CNC;OWZSDXMHJQPQHY-UHFFFAOYSA-N;142.25;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366175;MM366175;CON=CC=CC(=O)OC;YPEFSJDWCOTFFX-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366176;MM366176;CCC(C)CCN=CNN;SSDJYOTUBZKAFF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366177;MM366177;C=C(C=NN=CCC)CN;QWGVWLVGWKILBM-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366178;MM366178;CN=CNCCC(C)CN;LGJTUFPDMNTGEF-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366179;MM366179;C=C(C=NN=CCN)CN;GDSXUQTUUFKCQY-UHFFFAOYSA-N;140.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366180;MM366180;CN=CNCCC(N)CN;GGKPNJHFYVATEQ-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366181;MM366181;C=C(C=NN=CCC)CO;DTMYVXWAPBOYQO-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366182;MM366182;CN=CNCCC(N)CF;OQKFQVMHENNHEA-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366183;MM366183;C=C(C=NN=CCC)CF;IFQSWNVAKQZIIW-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366184;MM366184;CCC(O)CCN=CNN;RQIIGXLVGDVXJU-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366185;MM366185;C=C(C=NN=CCO)CF;IKFBMMOGMGSPLV-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366186;MM366186;CCC(=O)C=NN=CCO;SXCKWYAVCKOXMG-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366187;MM366187;CCC(F)CCN=CNN;WZCHJPFLQWKBIO-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366188;MM366188;C=C(C=NN=COC)CO;YBJVIHFSSSLKBG-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366189;MM366189;CN=CNCCC(F)CN;VJAAUMYHNOZQHN-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366190;MM366190;CCC(=O)C=NN=COC;QMEYUYCHTQHUJW-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366191;MM366191;OCC1CCC(CF)C1;ZCPJAPLWVHKVTR-UHFFFAOYSA-N;132.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366192;MM366192;CNC(=N)C=NN=CCO;XTCINLUBIBJXDA-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366193;MM366193;CC=NNCCC(C)CC;KOZQFNASACCHAU-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366194;MM366194;CON=C(C)NC(C)C=O;SERMMOKFTYFHSL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366195;MM366195;CC=NNCCC(C)CN;UGBBGBHSMVEMQR-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366196;MM366196;CCC=NN=CC(=O)NO;HTADZLBSFZKHRC-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366197;MM366197;CC=NNCCC(N)CC;OOODAIBBQYADTK-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366198;MM366198;C=C(C=NN=CCC)OC;VAHPHRBZGMUDFG-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366199;MM366199;CC=NNCCC(N)CN;LWQGEPNGVYKBQG-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366200;MM366200;C=C(C=NN=CCO)OC;SJCUPYMDSDJKCH-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366201;MM366201;C=CC(CO)CC1CC1;DNZYGSVMRHFSOR-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366202;MM366202;CCC=NN=CC(=O)OC;MLDQUUZFMDUGFF-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366203;MM366203;CC=NNCCC(F)CF;LTNPEZBWKXZBLC-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366204;MM366204;C=C(C=NN=COC)OC;IOZDIYHFZRCOCB-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366205;MM366205;CNC(C)CCN=CNN;WUDWDPDGBRPGCL-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366206;MM366206;C=C(C=CC=CC=O)CC;WRNNLJUAWJJHBK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366207;MM366207;CNC(C)CCN=CNO;WFDBRAUNKYNSSX-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366208;MM366208;C=CC=CC=CC(=C)CN;GSMQJGVNNOLGLL-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366209;MM366209;CC=NNCCC(C)NC;UHSSCONRAIUCCZ-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366210;MM366210;C=C(C=CC=CC=O)CO;WIXNHWZDOGSKTO-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366211;MM366211;CNC=NCCC(C)OC;MQHWYTORCAUXMA-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366212;MM366212;C=C(C=CC=CC#N)CF;OLJBNHRQORLVGH-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366213;MM366213;COC(C)CCN=CNN;XDCYFYLFLKOGGD-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366214;MM366214;C=CC=CC=CC(=O)CC;WBQQSAGCMDCEJG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366215;MM366215;CC=NNCCC(C)OC;USGFOWDXKQIADF-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366216;MM366216;N#CC=CC=CC(=O)CO;TUTAEGMHUXCEBE-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366217;MM366217;CC=COCCC(C)CC;BLOOIBIBHWDWKQ-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366218;MM366218;C=CC=CC=CC(=O)CF;QAASIJWEXHWOOM-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366219;MM366219;CC=COCCC(C)CO;ADKGQGMZPWXHME-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366220;MM366220;C#CCC(C)=CC(O)CC;MPMOQLFZEFYFBH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366221;MM366221;CC=COCCC(C)CF;VCARRZQBPSBULS-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366222;MM366222;C=CC=CC=CC(=N)NC;HKALWBBHQCDZFX-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366223;MM366223;CC=COCCC(N)CC;OCBYEDPFYKNZGQ-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366224;MM366224;CNC(=N)C=CC=CC#N;GIIZSMITOWMKMQ-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366225;MM366225;CCC(N)CCOC=CF;RQMLWZYHWNTBBN-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366226;MM366226;C=CC=CC=CC(=N)NN;UQYLSDISPDLPLH-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366227;MM366227;NCC(N)CCOC=CF;JUCQYHRTXLHKEA-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366228;MM366228;N#CC=CC=CC(=N)NO;OUZMXNUPYWTWMZ-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366229;MM366229;CC=COCCC(O)CC;PLNDQRCUXQRRPA-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366230;MM366230;CC(C)CC1CC1(C)CO;MCSIEAAFMFTFAX-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366231;MM366231;NCC(F)CCOC=CF;UEFQNPWMQZNVKX-UHFFFAOYSA-N;151.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366232;MM366232;C=CC1(O)CC1CC(=C)C;WTMCQNYMHJOKHN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366233;MM366233;OCC(F)CCOC=CF;MEDALBJXNUTVFP-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366234;MM366234;N#CC=CC=CC(=O)NO;BZCJGVZHUAJUCH-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366235;MM366235;CCC(N)CCOC=NO;PMIWTDAZDIOITE-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366236;MM366236;C=NN=CC=CC(=N)NC;WHGYDMCTRNLNNS-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366237;MM366237;NC(CO)CCOC=NO;QJIYWUSPJCDCHJ-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366238;MM366238;C=C(C#N)C1CC(C)(O)C1;ZBMIEQYYXFHVSQ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366239;MM366239;NCC(O)CCOC=NO;UGEFKAOXECOBPU-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366240;MM366240;C=NN=CC=CC(=O)NO;QWLVQBOUHHKKNR-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366241;MM366241;N#CC12CC1C(=O)CN2;XLCUDGWPVCVUIM-UHFFFAOYSA-N;122.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366242;MM366242;C=C(C=CC=CC=O)OC;QZILESPUCYNDHP-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366243;MM366243;OCC(O)CCOC=NO;YFLSOOVAAGVEEA-UHFFFAOYSA-N;149.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366244;MM366244;COC(=O)C=CC=CC#N;YRTYBKUBTXPWJJ-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366245;MM366245;NCC(F)CCOC=NO;YAGGBMINTFTBET-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366246;MM366246;C=CC=NN=CC(=C)CC;TVHSGCQJJULIJD-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366247;MM366247;CCC1CC1C(C)CO;RNXOOZKJHHFHHQ-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366248;MM366248;C=CC=NN=CC(=C)CN;YVDYBEHLZLTHBF-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366249;MM366249;OCC(F)CCOC=NO;CVFOWDPVAXKCNJ-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366250;MM366250;C=CC=NN=CC(=C)CF;QTJUJNDZVKHCNL-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366251;MM366251;CC=NOCCC(C)CC;YVDXFBZBMOTOOF-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366252;MM366252;C=C(C=NN=CC=O)CF;FSHAWOICEZQFQA-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366253;MM366253;CC=NOCCC(N)CC;UERCBPPKRSGCOF-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366254;MM366254;C=C(C=NN=CC#N)CF;AOQBANDGPJGUPD-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366255;MM366255;CC=NOCCC(N)CN;FRXXNQYKTQJZFN-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366256;MM366256;CCC(=O)C=NN=CC=O;FVAZTDCBYHQMJR-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366257;MM366257;CC=NOCCC(N)CO;VYCODCUIBTXACL-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366258;MM366258;CCC(=O)C=NN=CC#N;ZETAELZIZFFATP-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366259;MM366259;CC(CO)C1CC1CF;YFXQELPRAQLNEQ-UHFFFAOYSA-N;132.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366260;MM366260;O=CC=NN=CC(=O)CF;UGFMOURAYQXMRR-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366261;MM366261;CC=NOCCC(F)CN;WGNJKDAUSNZDCB-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366262;MM366262;N#CC=NN=CC(=O)CF;HLUNATJJQDOXBR-UHFFFAOYSA-N;141.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366263;MM366263;C#CC(=O)C1NC1CF;CTDPZQBSVBLWAV-UHFFFAOYSA-N;127.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366264;MM366264;CNN=CCCCC(C)O;IDJBSTNTGKHWCJ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366265;MM366265;CC=COCCC(C)NC;BUHQLTXNBRVAFN-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366266;MM366266;C=CC=NN=CC(=C)OC;BOJGAPJNXQKPSW-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366267;MM366267;CC=NOCCC(C)NC;PFRNTCSJWKZJIA-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366268;MM366268;C=C(C=NN=CC=O)OC;GSOYDQMYYXAAJY-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366269;MM366269;CC=COCCC(C)OC;NXKGGZNXPVBMJP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366270;MM366270;C=C(C=NN=CC#N)OC;YOBUUYMSTSKFSW-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366271;MM366271;C=NN=CNNCC=O;ABOUJSRNNCTNKB-UHFFFAOYSA-N;128.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366272;MM366272;C=CC=NN=CC(=O)OC;QMPJYEJLUIBGIX-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366273;MM366273;COC(C)CCOC=NO;JOLLCTSVOQBHDN-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366274;MM366274;C#CC=CC=CC(=C)CC;YBFFHHCUTGXKJV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366275;MM366275;CC=NOCCC(C)OC;SMJJNPGJXQEOLC-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366276;MM366276;C#CC=CC=CC(=C)CN;NYRFBQURCPZOOD-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366277;MM366277;CC=CCNCC(C)CC;RYJIOVBPKKTYII-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366278;MM366278;C#CC=CC=CC(=C)CO;NZXQNVOGVYYPDM-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366279;MM366279;CC=CCNCC(C)CF;LBOLUAYMWPYLGP-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366280;MM366280;C#CC=CC=CC(=C)CF;IAIIVHDRJCGXBT-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366281;MM366281;CC(CF)CNCC=CF;LSODIGMSCSYLAD-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366282;MM366282;C#CC=CC=CC(=O)CC;KYZYPFQPCXIQNW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366283;MM366283;CCC(N)CNCC=CF;NEVLRBWWSNHHQV-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366284;MM366284;C#CC=CC=CC(=O)CO;QDVQBOZBBDYUMF-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366285;MM366285;CC=CCNCC(N)CO;LUEOUYZKSXEFNZ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366286;MM366286;C#CC=CC=CC(=O)CF;CGYKGQKMHIWEMX-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366287;MM366287;NC(CF)CNCC=CF;QCKPMECBEBBRLU-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366288;MM366288;C#CC=CC=CC(=N)NC;WMSGGALZHMVACX-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366289;MM366289;CC=CCNCC(O)CN;KGQNSCMCYSRLIL-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366290;MM366290;C#CC=CC=CC(=C)OC;ACQKUOPXZLLOJB-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366291;MM366291;NCC(F)CNCC=CF;AFTYKCSQYNWLGG-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366292;MM366292;C#CC=CC=CC(=O)OC;IGSOZWRMOJPDDB-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366293;MM366293;NC(CO)CNCC=NO;KPWFUXFVAAJRSH-UHFFFAOYSA-N;147.18;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366294;MM366294;C#CC=NN=CC(=C)CN;ZRSRCBIEHDUJSD-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366295;MM366295;CC=CCNCC(C)NC;FUWKEDZZXQDMJU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366296;MM366296;C#CC=NN=CC(=C)CF;HMVNVSHFSBVTEK-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366297;MM366297;CCC(C)CNN=CNC;ZIEKTRQXQNAZNS-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366298;MM366298;C#CC=NN=CC(=O)CC;IADRXIZDBQJUGS-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366299;MM366299;CN=CNNCC(C)CN;LMPNLTIKWWOWIW-UHFFFAOYSA-N;144.22;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366300;MM366300;C#CC=NN=CC(=O)CF;DIEQAHIULSJCMO-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366301;MM366301;CC(CN)CNN=CNO;QLRFARVVUUDSCW-UHFFFAOYSA-N;146.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366302;MM366302;C#CC=NN=CC(=C)OC;DUSAUWCHNYTIHY-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366303;MM366303;CN=CNNCC(C)CO;WSYTWHPDFZYRKD-UHFFFAOYSA-N;145.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366304;MM366304;C#CC=NN=CC(=O)OC;KKCRVNNLGVSFJB-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366305;MM366305;C=C(C(C)CO)C1CC1;ZIQRTOQPFFUHBF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366306;MM366306;C=CC(=C)C=CC=CCN;HQGXTYLFZVOMSS-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366307;MM366307;CN=CNNCC(C)CF;RXLAAZBDLTULPD-UHFFFAOYSA-N;147.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366308;MM366308;C=C(C=O)C=CC=CCC;DOJJQBDSRDCJLI-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366309;MM366309;CCC(N)CNN=CNC;HUAOYTFIBHAWSF-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366310;MM366310;C=C(C#N)C=CC=CCC;YLESRTQDPHTNJA-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366311;MM366311;C=CC(CO)CC(C)(C)C;JSNYCTHCEAKRPU-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366312;MM366312;C=C(C=O)C=CC=CCO;IVDGVXDFFAIASH-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366313;MM366313;CN=CNNCC(F)CF;YFCMEEGKYCCQSQ-UHFFFAOYSA-N;151.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366314;MM366314;C=CC(=O)C=CC=CCC;YEAWZNFRJRGXFV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366315;MM366315;CN=CNNCC(C)NC;CEOHJJQNADONEA-UHFFFAOYSA-N;144.22;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366316;MM366316;C=CC(=O)C=CC=CCO;NNHSQROYUIIGHH-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366317;MM366317;CNC(C)CNN=CNO;VLWHCJATOQBQCC-UHFFFAOYSA-N;146.19;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366318;MM366318;CC(CN)COCC=CF;NQFKSLTVODMTEQ-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366319;MM366319;CCC=CC=CC(=O)C=O;PMDATDHTXFLZKW-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366320;MM366320;CCC=CC=CC(=O)C#N;WCXZLWOPNWUZPC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366321;MM366321;CC=CCOCC(O)CC;IKZAFIHVYHTFJE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366322;MM366322;O=CC(=O)C=CC=CCO;TYYZPQSMZLHXCJ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366323;MM366323;OC(CF)COCC=CF;IOHIKXXTLFKUCC-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366324;MM366324;C=C(C=O)C=CC=NNC;KLJYELMBMNADCH-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366325;MM366325;OCC(F)COCC=CF;YWLCYXMXPUJZPT-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366326;MM366326;C=CC(=O)C=CC=NNC;CIGTUFQVGRNTGX-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366327;MM366327;NCC(O)COCC=NO;NMAKRMDXDIFFEG-UHFFFAOYSA-N;148.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366328;MM366328;C=CC(=O)C=CC=NOC;VIJRIKMMKHSPLN-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366329;MM366329;C=CC(=C)CC(=C)C(C)O;VYPMKSOOFMKWKH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366330;MM366330;C=C(C=O)C=NN=CCC;XIPPPZJNLAHIJX-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366331;MM366331;C=CC(=C)C=C(C)C(C)O;RNWXHWSOIJTMBD-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366332;MM366332;C=C(C#N)C=NN=CCC;YCSDAFXPDVZYRC-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366333;MM366333;C=C(C=O)C=C(C)C(C)O;AJMRMAOXSRIGQS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366334;MM366334;C=C(C=O)C=NN=CCO;WNQPKLXJTRKTSK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366335;MM366335;CNC(C)COCC=NO;WGMHRHWHFKUCCD-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366336;MM366336;C=CC(=O)C=NN=CCO;FSEVTJYYHZEEHW-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366337;MM366337;CCC(C)CON=CNN;FQIXYYYZYQQLDT-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366338;MM366338;C=CC(=O)C=NN=CCF;LOOVOLBMRYABKK-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366339;MM366339;C=CC(O)CC1CC1(C)C;WSPCVKPXARORFM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366340;MM366340;CCC=NN=CC(=O)C=O;JMTZWYCBDOCWOC-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366341;MM366341;CN=CNOCC(C)CN;ZDJFJJZRDOEQLY-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366342;MM366342;CCC=NN=CC(=O)C#N;OZKUXCJSRPXPLF-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366343;MM366343;CN=CNOCC(C)CO;GKFKRUHUOIFGLT-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366344;MM366344;O=CC(=O)C=NN=CCF;CZMQNNQHPQSJJQ-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366345;MM366345;CN=CNOCC(C)CF;MIIMJVVFFUIPDB-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366346;MM366346;C=CC(=C)C=NN=COC;ZDSKHOAJQGDQFN-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366347;MM366347;C=C(C#N)CC1CC1(C)O;LGBGDSFTBSNWLL-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366348;MM366348;C=C(C#N)C=NN=COC;BLJQYGLFSGODEI-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366349;MM366349;NC(CO)CON=CNO;ULHDJIYKAGQSSL-UHFFFAOYSA-N;149.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366350;MM366350;C=CC(=O)C=NN=COC;QXGNJJAYESRTRY-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366351;MM366351;C=C(C(C)O)C1CC1(C)C;ZRDQPAWHBJOJSE-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366352;MM366352;COC=NN=CC(=O)C=O;ONJDGZCGLZUCLD-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366353;MM366353;CCC(F)CON=CNN;ZNBLNYYESKJYDG-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366354;MM366354;C=CC(=C)C=CC=CC=O;VPVHZALDLYAHDP-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366355;MM366355;C=NNC(C)C#CCC=O;SVZYOKGZRSQZTK-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366356;MM366356;C=CC=CC=CC(=C)C=O;YCSJIDRPXFJPDU-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366357;MM366357;CNC(C)CON=CNN;WGJIHRLUPPPVED-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366358;MM366358;C=CC=CC=CC(=C)C#N;AJPHPILBLDSWOK-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366359;MM366359;CNC(C)CON=CNO;JEEISMLGBQSQRS-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366360;MM366360;C=C(C=O)C=CC=CC=O;IJKQHGRMRIJDQZ-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366361;MM366361;CC=CCCNC(C)CC;ZARCEVOUKOJYLY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366362;MM366362;C=C(C#N)C=CC=CC=O;QYTPSFDCNPDTOF-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366363;MM366363;CCC(C)NCCC=CF;VZBNQGVWUWADTQ-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366364;MM366364;C=C(C=O)C=CC=CC#N;VWNRVAZTLIRMDV-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366365;MM366365;CC=CCCNC(C)CN;VAQWHCQXQLCCRT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366366;MM366366;C=C(C#N)C=CC=CC#N;XJUZIFJFMNQGLS-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366367;MM366367;CC(CN)NCCC=CF;WAZOWSPFMIPLBF-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366368;MM366368;C=CC=CC=CC(=O)C=C;HBURCIJCHFWYRU-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366369;MM366369;CC=CCCNC(C)CF;GFTTWGVQPKIZPS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366370;MM366370;C=CC(=O)C=CC=CC=O;PNTZBARDQLYWIK-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366371;MM366371;CC(CF)NCCC=CF;QGZJQCMARJNQGM-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366372;MM366372;C=CC(=O)C=CC=CC#N;VEPXHBFRHYAOAK-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366373;MM366373;CCC(C)NCCC=NN;TZYFZPIRCQKPFP-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366374;MM366374;O=CC=CC=CC(=O)C=O;IRPVVGFXYORBSK-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366375;MM366375;CC=CCCOC(C)CN;DNWKHFGQLFTROR-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366376;MM366376;N#CC=CC=CC(=O)C=O;GYOSWSULAASEIZ-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366377;MM366377;CCC(C)OCCC=NO;WWDCXQUZQJQTTG-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366378;MM366378;C=NN=CC=CC(=O)C=O;YDLYIYRHJWYBJN-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366379;MM366379;CC(CN)OCCC=NO;HREDTQLFDJRKJA-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366380;MM366380;C=CC=NN=CC(=C)C=O;OXRLLMIYYCAZON-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366381;MM366381;C=NNC(C)C(C)CC=O;HBKZBBTYWZYJDL-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366382;MM366382;C=CC=NN=CC(=C)C#N;RFMXYLVKZRCQGQ-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366383;MM366383;CC(CO)OCCC=NO;KTQUFBVNLLOXJE-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366384;MM366384;C=C(C=O)C=NN=CC=O;QTCZCJDGQQRRHX-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366385;MM366385;CC=COCOC(C)CC;QQTOARDJFRLBCD-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366386;MM366386;C=C(C#N)C=NN=CC=O;XXMKKJLQAMPQGZ-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366387;MM366387;CC=COCOC(C)CN;FLLPFWTYRDPVSR-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366388;MM366388;C=C(C=O)C=NN=CC#N;ZEXWOEJIEQXDOR-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366389;MM366389;CC#CC(C)C(O)C=CC;SEJFXUGVRXENIM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366390;MM366390;C=C(C#N)C=NN=CC#N;CYWNBHMUTZWVKO-UHFFFAOYSA-N;132.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366391;MM366391;CC(CO)OCOC=NO;NUMWEYNPHBYCNM-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366392;MM366392;C=CC=NN=CC(=O)C=C;OOHSMWWFDQMIEV-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366393;MM366393;C=C(C)C1CC(CO)C1C;XMBKGOWJDSJAAS-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366394;MM366394;C=CC(=O)C=NN=CC=O;VWHIQKXFDZBVTI-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366395;MM366395;CC(CF)OCOC=NO;VDUVNLGSMBCMOH-UHFFFAOYSA-N;151.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366396;MM366396;C=CC(=O)C=NN=CC#N;FZBSCFRDUOMMQP-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366397;MM366397;CC=NOCOC(C)CC;XQOJIYSRLSFEIH-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366398;MM366398;C=CC=NN=CC(=O)C=O;NAQLBJRLEXOXDU-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366399;MM366399;C=C1C(O)CC2C1C2(C)C;YOTZJXPTMHLHQZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366400;MM366400;O=CC=NN=CC(=O)C=O;ITKBWUYTSQLQJD-UHFFFAOYSA-N;140.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366401;MM366401;CC=NOCOC(C)CF;IMEMXYGKCHRKLO-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366402;MM366402;C#CC=CC=CC(=C)C=C;SVLVWDLLUDMQMT-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366403;MM366403;CC=COCOC(C)OC;QELOPONCVGHUCL-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366404;MM366404;C#CC=CC=CC(=C)C=O;BUBIOKRUTOUORJ-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366405;MM366405;COC(C)OCOC=CF;BSSMYDDXMQLNHP-UHFFFAOYSA-N;150.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366406;MM366406;C#CC=CC=CC(=O)C=C;HNTXNGSXOCSNSH-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366407;MM366407;CCN(C)CCCC=NO;AQOIKDQDSHKHKP-UHFFFAOYSA-N;144.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366408;MM366408;C#CC=CC=CC(=O)C=O;KEALYYUPOYPNTL-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366409;MM366409;CCN(C)CCN=CNC;UZKDEJAKRGYQNG-UHFFFAOYSA-N;143.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366410;MM366410;CC=COCCN(C)CC;HTACTUUFLIVQGU-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366411;MM366411;C#CC=NN=CC(=C)C=C;CPFNBRCCHPUYOM-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366412;MM366412;CCN(C)CCOC=CF;WLRBERCWAJSSOM-UHFFFAOYSA-N;147.19;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366413;MM366413;C#CC=NN=CC(=C)C=O;JRCREOIQVGBHFY-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366414;MM366414;C=CC(C)CCCC=CC;IASUKQNKWMOWGV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366415;MM366415;C#CC=NN=CC(=C)C#N;QSESOXUCOCKVRY-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366416;MM366416;CC=CCCCC(C)C=O;VBAUMYRIIBIDHL-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366417;MM366417;C#CC=NN=CC(=O)C=C;SZWNEQXRUMYLCV-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366418;MM366418;C=CC(N)CCCC=CC;ZQQOGWDYFLIZLK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366419;MM366419;C#CC=NN=CC(=O)C#N;JNQTWTQPVFGXTN-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366420;MM366420;C=CC(N)CCCC=CF;CTVJIACVXXPTAN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366421;MM366421;C#CC(=C)C=CC=CCC;KVLJXMPFQKAYEO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366422;MM366422;C=C1C=C(CCC)CC1O;CNCVFNVADWXPPW-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366423;MM366423;C#CC(=C)C=CC=CCN;URQMYUBNNYDCSA-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366424;MM366424;C=CC(CO)CC1(C)CC1;YJINDOOCIIWENQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366425;MM366425;C#CC(=C)C=CC=CCO;CACTWFAMTZBQFC-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366426;MM366426;CC=CCCCC(O)C=O;LMXRAWIRRSWNFJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366427;MM366427;C#CC(=O)C=CC=CCC;XZAGIDSIMRUTHN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366428;MM366428;N#CC(O)CCCC=CF;GAPLGWANPLURIH-UHFFFAOYSA-N;143.16;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366429;MM366429;C#CC(=C)C=CC=NNC;HDLYVRVJOUIMDL-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366430;MM366430;CC(C#N)CCCC=NO;YRFHBGVQEYZOKV-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366431;MM366431;CC(O)CCCC=CC#N;GUSNYKVCBNVFFG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366432;MM366432;C=CC(N)CCCC=NO;SJHMFCVQQWXEKW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366433;MM366433;C#CC(=C)C=CC=NOC;XQFTYCYGWJOAPY-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366434;MM366434;C=CC(O)CCCC=NO;WYPLNIAFQFFMBJ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366435;MM366435;C#CC(=C)C=NN=CCC;GSCMXYMIELOKSZ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366436;MM366436;O=CC(O)CCCC=NO;FVUMAUCTISSWHP-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366437;MM366437;C#CC(=C)C=NN=CCO;PIQURMTUJFLSBQ-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366438;MM366438;N#CC(O)CCCC=NO;PTMTZDZONORJQN-UHFFFAOYSA-N;142.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366439;MM366439;C#CC(=C)C=NN=COC;QNSRQRZOTABJKB-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366440;MM366440;C=CC(C)CCNC=NC;KDGVWOLDZLIPDP-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366441;MM366441;C#CC(=C)C=CC=CC=O;JPGGOGJTXRPBKB-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366442;MM366442;C=CC(C)CCN=CNN;WONCQTRGVSJMBF-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366443;MM366443;C#CC(=O)C=CC=CC=C;XFPPGDPHEWBISB-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366444;MM366444;CN=CNCCC(C)C=O;LCPAQFYHXKWUBI-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366445;MM366445;C#CC(=O)C=CC=CC=O;ZRGHFVMWJKBNKP-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366446;MM366446;C=CC(N)CCNC=NC;XWQVSCVAOUIJAZ-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366447;MM366447;C#CC(=C)C=CC=NN=C;HGERMUGQIVSBGY-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366448;MM366448;CN=CNCCC(O)C=O;NREDSJHWYODKOO-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366449;MM366449;C#CC(=C)C=NN=CC=C;GBMOFADPPSFCJD-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366450;MM366450;C=CC(F)CCNC=NN;ROHNQFMJAYHUSC-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366451;MM366451;C#CC(=C)C=NN=CC=O;RIPMRVDLPRFNAX-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366452;MM366452;C=CC(CO)CC(C)CC;BNLCOZPYHQCGJT-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366453;MM366453;C#CC(=C)C=NN=CC#N;SWMJTRKFRLHHJQ-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366454;MM366454;C=CC(CO)CC(C)CF;AFXHWKDKRCSSNI-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366455;MM366455;C#CC(=O)C=NN=CC=C;UVJBVINSUAZQMH-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366456;MM366456;CCC(C=C(C)CF)CO;JBZODNOWNCPVEY-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366457;MM366457;C#CC=CC=CC(=O)C#C;LHFVBCZPQSTXSB-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366458;MM366458;C=CC(O)CCOC=CF;WUNPSIGBUIWPOF-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366459;MM366459;C#CC=NN=CC(=C)C#C;KTRZPAZJNQTFSO-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366460;MM366460;CC=COCCC(O)C#N;UACLXNFSJXALLT-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366461;MM366461;C#CC=NN=CC(=O)C#C;QXJMCDYZHASOTG-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366462;MM366462;C=CC(F)CCOC=CC;DDABUPWCIJNGBA-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366463;MM366463;CCC#CC=CC(C)CC;GOMDKCCMKDBARY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366464;MM366464;O=CC(F)CCOC=CF;QYQDEXAJXSPGQQ-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366465;MM366465;CCC(C)C=CC#CCN;INIGPOAPRWRJMY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366466;MM366466;C=CC(C)CCOC=NO;HHDGQXFNAYAQAF-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366467;MM366467;CCC(C)C=CC#CCO;YDQKXCRDYLHKOM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366468;MM366468;C=CC(O)CCOC=NO;IKDOCFWEFHGINL-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366469;MM366469;CCC(C)C=CC#CCF;VALPUPPIAXHERL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366470;MM366470;N#CC(O)CCOC=NO;OPTFGFNFCFSRKS-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366471;MM366471;CCC#CC=CC(C)CN;ODGOICWFGUSDCK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366472;MM366472;C=C(C(C)CC)C(C)CO;LZMKPWDPIHMUQI-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366473;MM366473;CC(C=CC#CCN)CN;OAUIKROLEHZKME-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366474;MM366474;C=CC(F)CCOC=NO;RNZKWFHREGRBKO-UHFFFAOYSA-N;147.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366475;MM366475;CC(C=CC#CCO)CN;XOQNPGPSIANCGP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366476;MM366476;C#CCCCC(O)C=CC;WOJPTBMCXRSCLJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366477;MM366477;CCC(C)=C(C)C(C)CO;AVTREVYWULMLLP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366478;MM366478;CC(C=CC#CCN)CO;ZHRYBKAULZPIPF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366479;MM366479;CC=NOCCC(C)C#N;IGYIBOXFEVXZRA-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366480;MM366480;C#CCC(C)C(=C)C(C)O;SQNPMULAPCZWSM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366481;MM366481;C=CC(N)CCON=CC;QVRCZJJEYHNLQM-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366482;MM366482;CCC#CC=CC(C)CF;UYZKSGDYOKBPDJ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366483;MM366483;C=CC#CC(F)C(C)=NN;DSGMVCFADJJITE-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366484;MM366484;CC(C=CC#CCN)CF;SVPKPLBIQXGAMK-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366485;MM366485;CC=NOCCC(F)C#N;FRWCXRLLHDNGSA-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366486;MM366486;CC(C=CC#CCO)CF;KGISLTAESTYCIB-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366487;MM366487;C=CC(C)CNCC=CF;BMDXTMYAJODGIG-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366488;MM366488;CCC#CC=CC(N)CC;RDVMAHGNZCAQQB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366489;MM366489;C=CC(O)CNCC=CC;CBIQMHGIIDUZKL-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366490;MM366490;CCC(N)C=CC#CCN;FBCKTAUCNDZGTP-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366491;MM366491;C=CC(O)CNCC=CF;RXDWCXZSAGOCGF-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366492;MM366492;CCC#CC=CC(N)CN;SKJLMIWKTSPYDE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366493;MM366493;CC=CCNCC(F)C#N;JXWYOLCGERSOLE-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366494;MM366494;NCC(N)C=CC#CCO;QBRBNMUMMXNGMQ-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366495;MM366495;C=CC(C)CNNC=NC;CNVGNQHGDASBSA-UHFFFAOYSA-N;141.22;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366496;MM366496;NCC#CC=CC(N)CO;KMBIIMLHYVLNBA-UHFFFAOYSA-N;140.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366497;MM366497;CN=CNNCC(C)C=O;LYKJGEBJAHNTMR-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366498;MM366498;NC(C=CC#CCO)CO;HKOQMNQNQWKWJS-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366499;MM366499;C=CC(N)CNN=CNO;KJMSYKNCFKQBAZ-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366500;MM366500;CCC#CC=CC(N)CF;MFXOJHSHXIHGDT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366501;MM366501;C=CC(O)CNNC=NC;MMVJLZRYIACOHQ-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366502;MM366502;NC(C=CC#CCF)CF;MDGDGPWXYTWEGW-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366503;MM366503;N#CC(O)CNNC=NO;DEEMQUJKVIPYJV-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366504;MM366504;C#CCC(C)=C(C)C(C)O;AQPJMIVDVUCISS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366505;MM366505;C=CC(C)COCC=CC;DNKGXPJHLKTJJC-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366506;MM366506;CCC(O)C=CC#CCN;PIGBHRKDWGDGPT-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366507;MM366507;CC(C#N)COCC=CF;UHEBCADOLICHOV-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366508;MM366508;CCC#CC=CC(O)CO;UHCALQDZTQFKDF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366509;MM366509;C=CC(O)COCC=CF;UZQZRNBXUXLKBY-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366510;MM366510;OCC#CC=CC(O)CO;RHFZLSQNACRJJJ-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366511;MM366511;CC=CCOCC(O)C=O;YLRYBPXWCKQRSA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366512;MM366512;CCC#CC=CC(O)CF;WFPLNYLJIRJACB-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366513;MM366513;CC=CCOCC(O)C#N;VZZLTONIFKYJNA-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366514;MM366514;OC(C=CC#CCF)CF;YPASXGJXFLSNHS-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366515;MM366515;O=CC(O)COCC=CF;PMWZCBBCQLIIAS-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366516;MM366516;CCC#CC=CC(F)CC;FBDNPGMNNAEGCS-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366517;MM366517;C=CC(N)COCC=NO;REYMJPRMQXGXLC-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366518;MM366518;CCC(F)C=CC#CCN;RPZPFCXAZDGVAF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366519;MM366519;N#CC(O)CONC=NO;PXRWXXUVJYXLFB-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366520;MM366520;CCC(F)C=CC#CCO;PMOBSVKEOQVTCV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366521;MM366521;C=CC(C)NCCC=CC;KZLUSLSJAPDBSM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366522;MM366522;CCC#CC=CC(F)CN;VGJYGCMRBJGZOL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366523;MM366523;C=CC(C)NCCC=CF;LUBVLNNHESEVIP-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366524;MM366524;NCC#CC=CC(F)CN;SOLJHWRNVGUJPU-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366525;MM366525;CC=CCCNC(C)C=O;KHADBJGOUIKITP-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366526;MM366526;CCC#CC=CC(F)CO;XJJJDLWVSJDNGN-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366527;MM366527;CC(C=O)NCCC=CF;REHXMMYLBUJZOU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366528;MM366528;CCC#CC=CC(F)CF;UKDIRMXOERSPDR-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366529;MM366529;C=CC(O)C(C#CC)CC;LIOPINJTNFYJIW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366530;MM366530;NCC#CC=CC(F)CF;PTRHDJMBSCKJED-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366531;MM366531;C=CC(C)OCCC=CC;CUGMOXJUWFCJLJ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366532;MM366532;OCC#CC=CC(F)CF;HFBSBZZUUQJMAQ-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366533;MM366533;C=CC(C)OCOC=CC;JNVCCMXOHYPJPC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366534;MM366534;CCC#CC=CC(C)NC;BIHGIWBMAQNCSL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366535;MM366535;CC(C#N)OCOC=CF;OYKUVINDPJKADJ-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366536;MM366536;CNC(C)C=CC#CCN;UQXJQZXGZGAVJF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366537;MM366537;CC=CC(CO)CCCC;WHGFGAJLCXBAGJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366538;MM366538;CNC(C)C=CC#CCF;PSMYRFHNVATAAI-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366539;MM366539;C=CC(C)OCON=CC;HSFTUWOONXESTH-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366540;MM366540;CCC#CC=CC(C)OC;LRGMWOPOAFGIAP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366541;MM366541;CC=CCCCN(C)C=N;ZPRGQSBWFQRJDE-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366542;MM366542;COC(C)C=CC#CCN;HRNZFZBNVKROPO-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366543;MM366543;CC=CCCCN(N)C=N;CPFMHQYINSJLBN-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366544;MM366544;COC(C)C=CC#CCO;CKLGMDWIYJHPQE-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366545;MM366545;N=CN(N)CCCC=CF;RJICZNIDTRYKIB-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366546;MM366546;COC(C)C=CC#CCF;VEGSXNNUXULZFP-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366547;MM366547;CC=CCCCN(N)C=O;HFOUBFYYPPQWCO-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366548;MM366548;CCC#CC=NN(C)CC;BSFJVEIBHDJLME-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366549;MM366549;CC=CCCCN(O)C=N;HGKNSTBUSOSUPG-UHFFFAOYSA-N;142.2;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366550;MM366550;CCN(C)N=CC#CCF;NFDUBBYBFMCYJS-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366551;MM366551;CC=CCCCN(O)C=O;JCSUWMYZYYCGJZ-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366552;MM366552;C=CC#CC=CC(C)CC;YCBVVONEYDDIKU-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366553;MM366553;CN(C=O)CCCC=NN;DJLDWYGQCDGJRS-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366554;MM366554;CCC(C)C=CC#CC=O;RFDWOPPGAXKAMQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366555;MM366555;N=CN(O)CCCC=NN;VGEUCICXHMLFRB-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366556;MM366556;CCC(C)C=CC#CC#N;NNQJHQKJVWBOMG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366557;MM366557;C=NN(C)CCCC=CC;NXFVXVNMDQHRKB-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366558;MM366558;C=CC#CC=CC(C)CN;LSPQHUOJWMGHDL-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366559;MM366559;CN=CNCCN(O)C=N;UDNFJOSHQJYHPJ-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366560;MM366560;C#CCC(C#C)(C#N)NC;RBVZWSZSAVNZQH-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366561;MM366561;CC=NNCCN(C)C=N;SSGBDNCSLVBOSP-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366562;MM366562;CN1C(C=O)CC1(C)C=O;IXTBWQABMBQATA-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366563;MM366563;CC=NNCCN(N)C=O;BSMDYLMSCKXHSA-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366564;MM366564;C=CC#CC=CC(C)CF;AQMFRYULOOMHAW-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366565;MM366565;CC=COCCN(C)C=N;LVUBPXNRQMLYAV-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366566;MM366566;CC(C=CC#CC#N)CF;LYWODDRQWVNYGQ-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366567;MM366567;CC=COCCN(C)C=O;QCZBVWIWTPPTTH-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366568;MM366568;C=CC#CC=CC(N)CC;PIYDIZDSUOWATF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366569;MM366569;NN(C=O)CCOC=CF;ZGHNTMODLAVVAD-UHFFFAOYSA-N;148.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366570;MM366570;C=CC#CC=CC(N)CN;KCZUCZCMAWIUEZ-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366571;MM366571;CN(C=N)CCOC=NN;PJCRKDJPXKWXPO-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366572;MM366572;C=CC#CC=CC(N)CO;XDSLEYVGIVKVHA-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366573;MM366573;CN(C=N)CCOC=NO;KZSFYFSQRRNXBL-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366574;MM366574;C=CC#CC=CC(N)CF;VVHHEFLLKYRDBN-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366575;MM366575;C=CC(=NNC=N)ON=C;GENGAIHQBWLODT-UHFFFAOYSA-N;140.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366576;MM366576;C#CC(=C)CC1(CO)CC1;HJGHDVFGJWEACA-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366577;MM366577;CN(C=O)CCOC=NO;CYZLSQQCQOSENN-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366578;MM366578;CCC(O)C=CC#CC=O;BOJQVXMNASWDIB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366579;MM366579;CCC(O)C=CC#CC#N;FUNWOPZYPDAUCW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366580;MM366580;N=CN(N)CCOC=NN;AZAFDQWOOZMRCF-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366581;MM366581;C=CC#CC=CC(O)CN;CSRYZSQCFIIECT-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366582;MM366582;N=CN(N)CCOC=NO;MYSWSVZJDJTSPW-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366583;MM366583;C=CC#CC=CC(O)CO;FYSOOFMJHWGWCJ-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366584;MM366584;CC=NOCCN(C)C=N;YNMHPKYZOAFBAG-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366585;MM366585;C=CC#CC=CC(O)CF;DCSXICPKFSNZJQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366586;MM366586;CC=NOCCN(C)C=O;HOQRZFAIWFKXSD-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366587;MM366587;O=CC#CC=CC(O)CF;YKPBFNLCCFEKTL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366588;MM366588;C=NN(C)CCOC=CC;UTVUAEPKYYEPHQ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366589;MM366589;C=CC#CC=CC(F)CC;VHAQBFCNIKTANQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366590;MM366590;C=NN(C)CCON=CC;BDHFHGKAEDVCIE-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366591;MM366591;CCC(F)C=CC#CC=O;DQMUJWGTPAUPER-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366592;MM366592;CC=CCCNN(C)C=N;OHZBEDNZNQSGMT-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366593;MM366593;CCC(F)C=CC#CC#N;ZRVXWTVTRWNJJL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366594;MM366594;CC=CCCNN(C)C=O;GVEIGGSLQPEAEJ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366595;MM366595;C=CC#CC=CC(F)CN;BFJSIWGQWIRGBM-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366596;MM366596;CN(C=N)NCCC=NO;SZUBRDOUCFRMQB-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366597;MM366597;C=CC#CC=CC(F)CO;XAMZHDOONJFYQM-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366598;MM366598;CN(C=N)OCCC=NO;MVIZXVRZCZFNJI-UHFFFAOYSA-N;145.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366599;MM366599;C=CC#CC=CC(F)CF;GSPVGHVYXOZLNY-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366600;MM366600;CC=COCON(C)C=N;ABNULSIGRQPSOR-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366601;MM366601;N#CC#CC=CC(F)CF;VQEAHWFJZHPIFS-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366602;MM366602;CN(C=N)OCOC=CF;SDUSDNSEQGDSMU-UHFFFAOYSA-N;148.14;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366603;MM366603;C=CC#CC=CC(C)NC;FGCTZQLUYPHKMD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366604;MM366604;CN(C=N)OCOC=NN;CPAHPCGGOYBOKF-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366605;MM366605;CNC(C)C=CC#CC=O;AKXVTHITAFWCQS-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366606;MM366606;C=CC(O)CC1C(C)C1C;UBIUAPOGEAWASG-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366607;MM366607;CNC(C)C=CC#CC#N;KJZZZANBBOIMPC-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366608;MM366608;C#CC(C)CCCC=CC;PUXFDQTYFIHVIL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366609;MM366609;C=CC#CC=CC(C)OC;DFMXBGDPCIIZEB-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366610;MM366610;C#CC(N)CCCC=CF;ASCJAJBSZWBGAY-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366611;MM366611;COC(C)C=CC#CC=O;NYCDKZDVBSEQPG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366612;MM366612;C#CC(C)CCNC=NC;YLHLUUSGZSPZQC-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366613;MM366613;COC(C)C=CC#CC#N;XWVQGSNADKGTNQ-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366614;MM366614;C#CC(N)CCNC=NC;RGEAHGNIOLXCTA-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366615;MM366615;C=CC#CC=NN(C)CC;LHOUNAPZDJTTQJ-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366616;MM366616;C#CC1=C(C)C(=C)C(O)C1;ZHMLKGCRIQTXRR-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366617;MM366617;CCN(C)N=CC#CC=O;ZRJMMUJAAXPERR-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366618;MM366618;C#CC(F)CCNN=CC;TXUCERINSQEPDT-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366619;MM366619;C#CC#CC=CC(C)CC;UEWFGUAVOQBAMB-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366620;MM366620;C#CC(C)CCOC=CC;SFTWHZDGZSUBSL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366621;MM366621;C#CC#CC=CC(C)CN;CLARCIUZBFTSAU-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366622;MM366622;C#CC(N)CCOC=CF;BFHNQGGQEFOQIC-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366623;MM366623;CC(C)CCC1(CO)CC1;WJTORQJOHHTJSH-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366624;MM366624;C#CC(O)CCOC=CF;XECQGVHPKCWOTC-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366625;MM366625;C#CC#CC=CC(C)CF;YCVZOOKSBYPYDH-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366626;MM366626;CC(C)C1CC1C(C)CO;JVVXCVQYXWAGRI-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366627;MM366627;C#CC#CC=CC(N)CC;VYGIMSGTTCNQSF-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366628;MM366628;CC=NNCC(C=O)CC;FGPVBWXSKCBUHU-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366629;MM366629;C#CC#CC=CC(N)CN;OTSCRJIVNMEQKH-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366630;MM366630;C#CC(O)CCOC=NO;UAXFKHZPCIPCIE-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366631;MM366631;C#CC#CC=CC(N)CO;RFTRJJZVLHPSEZ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366632;MM366632;C#CC=NNC(C=O)CC;GMUYNCPEICYKAF-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366633;MM366633;C#CC#CC=CC(N)CF;IYIXLKUQFXFZPD-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366634;MM366634;C#CC(F)CCOC=NO;COHOQDUFAYEBJR-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366635;MM366635;CC=NN=CNC(C)C=O;CVQKFFFZWKQFNH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366636;MM366636;C#CC(C)CCON=CC;DWJHEDLOIDIPFJ-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366637;MM366637;C#CC#CC=CC(O)CN;SPXWTGUUUHHBQU-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366638;MM366638;C#CC(N)CCON=CC;IQIDWGJLGKIVDI-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366639;MM366639;C#CC#CC=CC(O)CO;VIQWXSVIRJITAU-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366640;MM366640;C=CC(CO)CC1CC1C;NMWRUIDCPUMGOH-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366641;MM366641;C#CC#CC=CC(O)CF;XCPNCNLPMPZMAO-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366642;MM366642;C#CC#CC=CC(F)CC;CBRWGFTVLBQKNU-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366643;MM366643;C#CC(F)CCON=CC;ZRDFVBPMNSDKAH-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366644;MM366644;C#CC#CC=CC(F)CN;WKCSACILQNFNJQ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366645;MM366645;C#CC(C)CNCC=CF;ZWQCJBRRWNFHKV-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366646;MM366646;C#CC#CC=CC(F)CF;HRLSFYVZLLPPPJ-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366647;MM366647;C#CC(N)CNCC=CC;LOJCJPAQLNMOCL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366648;MM366648;C#CC#CC=CC(C)NC;VRIUSBQLKZLCMB-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366649;MM366649;C#CC(F)CNCC=NN;SLEMUKRQFORULB-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366650;MM366650;C#CC#CC=CC(C)OC;XBFYAQWUBZVHNJ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366651;MM366651;C#CC(C)CNNC=NC;HGIIMGZTUDXHJU-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366652;MM366652;C#CC#CC=NN(C)CC;RWPVOODQUPSDME-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366653;MM366653;C#CC(C)COCC=NN;UGKGYXMBTCIYJM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366654;MM366654;C=CC(C)C=CC#CCC;HSICGZMSIMBMIY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366655;MM366655;C#CC(F)COCC=NN;BEJISAHQMIEGAW-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366656;MM366656;C=CC(C)C=CC#CCN;KUTSACCASQHGGZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366657;MM366657;C#CC(C)CON=CNN;SHGDKXSUPMOISO-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366658;MM366658;C=CC(C)C=CC#CCO;QDEXCZRLTJAGPX-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366659;MM366659;CCN1CC(C(=O)C#N)C1;XKOLLLCOIOHCSR-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366660;MM366660;C=CC(C)C=CC#CCF;YQDCFCDXGGCQPG-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366661;MM366661;CCCC1CCC(CO)C1;LKOXSLOIMSYWPK-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366662;MM366662;CCC#CC=CC(C)C=O;KHDMDQILYRRWEY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366663;MM366663;C#CC(F)CONC=NO;IIQFKZIPSGEOQT-UHFFFAOYSA-N;146.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366664;MM366664;CCC#CC=CC(C)C#N;BGJRMQRMJOOCIN-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366665;MM366665;C#CC(C)NCCC=CC;LECLKNVCDCFSJY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366666;MM366666;CC(C=O)C=CC#CCO;QUYMOOAHARDUCQ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366667;MM366667;C#CC(C)NCCC=CF;UDLIXILVHZNWBA-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366668;MM366668;CC(C#N)C=CC#CCO;VPNFANGLXWHXKZ-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366669;MM366669;C#CC(C)OCCC=NN;OLFJMNRCZWDGDI-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366670;MM366670;CC(C#N)C=CC#CCF;ZRHYSUUHIBNLHK-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366671;MM366671;C#CC(C)OCOC=CF;LCOOQVJEECSYAP-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366672;MM366672;C=CC(N)C=CC#CCC;NEUXLCOTECOIDC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366673;MM366673;C#CC(C)OCON=CC;UDGJOMRTTMHFCO-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366674;MM366674;C=CC(N)C=CC#CCF;ZWABOMFMVAVHMA-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366675;MM366675;C=C(CC)CCCC=CC;XTMUNASQUNXLTF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366676;MM366676;C=CC(O)C=CC#CCC;DVJWVZWPPNAZPE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366677;MM366677;C=C(CN)CCCC=CC;TZGWLGCVHDLADE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366678;MM366678;C=CC(O)C=CC#CCF;WRYYZMHDWRRCDU-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366679;MM366679;C=C(CN)CCCC=CF;IIRSPOLZQQVZFL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366680;MM366680;CCC#CC=CC(O)C=O;IKRNLECDBQSHBW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366681;MM366681;C=C(CO)CCCC=CC;MZAPTNLDEPSJGE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366682;MM366682;CCC#CC=CC(O)C#N;APXIZFUVDRPXLK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366683;MM366683;CC=CCCCC(=O)CC;XLFAXORWNLPOEK-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366684;MM366684;N#CC(O)C=CC#CCF;YTPLJVYPTAJFEA-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366685;MM366685;CC=CCCCC(=O)CO;QBUIVKMKEVYTFU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366686;MM366686;C=CC(F)C=CC#CCC;PIWMFSIDRVZEOD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366687;MM366687;N#CCC1CCC(CO)C1;NRSQUYCGNHRCHT-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366688;MM366688;C=CC(F)C=CC#CCN;GLBGEKMUSRXPSD-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366689;MM366689;C=C(CO)CCCC=NO;WMLVQHPTBGCGQY-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366690;MM366690;C=CC(F)C=CC#CCO;KJGQLUDIOCXROL-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366691;MM366691;O=C(CO)CCCC=NO;CNOLNGDSBSHIKX-UHFFFAOYSA-N;145.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366692;MM366692;CCC#CC=CC(F)C=O;JJQJBQARQNFMJU-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366693;MM366693;CNC(=N)CCCC=CF;HDIBOQOXCYVIPF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366694;MM366694;CCC#CC=CC(F)C#N;ADMICBOWFZUOSZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366695;MM366695;CC#CC1CCC(CO)C1;XAXOFUZNAVDNLS-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366696;MM366696;O=CC(F)C=CC#CCF;BZTMJXNVHZDWFW-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366697;MM366697;CCC1=NNC(=CC#N)O1;NXDONVURDZMZQU-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366698;MM366698;CCC#CC=CN(C)C=N;UAPUXOMPNWYNPP-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366699;MM366699;CC=CCCCC(=O)NO;HTNKJWNWCCBRMC-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366700;MM366700;CN(C=N)C=CC#CCN;KCFNDNUINFHNFD-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366701;MM366701;N=C(CCCC=NN)NN;ITADJAOTESPQQR-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366702;MM366702;CN(C=N)C=CC#CCO;YTTLIUHRFRYPES-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366703;MM366703;N=CNc1noc(=NN)o1;UWLJDUBSUQBSKH-UHFFFAOYSA-N;143.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366704;MM366704;CN(C=N)C=CC#CCF;SWWAHWWVIQMEQT-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366705;MM366705;CNC(=O)CCCC=NO;AJAGUHMDRBQWNZ-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366706;MM366706;CCC#CC=CN(C)C=O;JPEGUHHJBIEYDO-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366707;MM366707;C=C(CCCC=CC)OC;IFUCCVJBAVLRJF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366708;MM366708;CN(C=O)C=CC#CCN;QPFUZYJJSWQTRR-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366709;MM366709;COC(=O)CCCC=NN;ZURGNKBVKALOCG-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366710;MM366710;CN(C=O)C=CC#CCF;FULXKSRWZIBMFL-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366711;MM366711;C=C(CC)CCN=CNC;ABSRDIKAKGMDOM-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366712;MM366712;CCC#CC=CN(N)C=N;HTAADFODMYQWKQ-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366713;MM366713;C=C(CC)CCN=CNN;CNPRHPOLPXHUSK-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366714;MM366714;N=CN(N)C=CC#CCF;CQDKIHVEPMQOCI-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366715;MM366715;C=C(CF)CCNC=NN;LDVQBPILDPRZQZ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366716;MM366716;CCC#CC=CN(N)C=O;JCQWTUOAGQNLJY-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366717;MM366717;C=NN=C1C=C(CF)CC1;IPEILARURLGMSS-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366718;MM366718;CCC#CC=CN(O)C=O;NXNOJGJYVCSPRB-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366719;MM366719;CN=CNCCC(=O)CO;CNLHDQBSQHSQHQ-UHFFFAOYSA-N;144.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366720;MM366720;CCC#CC=NN(C)C=N;RXOFWPAIWLPMQN-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366721;MM366721;CN=CNCCC(=O)CF;JPICMMOCIQQLRP-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366722;MM366722;CN(C=N)N=CC#CCN;NXLDBWMPXPBOMO-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366723;MM366723;CC=CC1CC(CO)C1C;OAECHNRLZHQOSM-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366724;MM366724;CCC#CC=NN(C)C=O;TYEWDBOCDLVSAW-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366725;MM366725;CN=CNCCC(=N)NC;LHORALQSOOELEQ-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366726;MM366726;C=CC#CC=CC(C)C=C;ASXTXFKMZSUIIB-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366727;MM366727;CNC(=N)CCN=CNO;LMVDHHQKKHKIQL-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366728;MM366728;C=CC(C)C=CC#CC=O;LEBYFQGAUXGWGE-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366729;MM366729;CN=CNCCC(=N)NN;GIHLPHPDKFNCBK-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366730;MM366730;C=CC(C)C=CC#CC#N;RGYPVGOFASGIHC-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366731;MM366731;N=C(CCNC=NN)NN;QQIUSAGXZPWFCL-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366732;MM366732;C=CC#CC=CC(C)C=O;CEALPWZWESIDTG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366733;MM366733;N=C(CCN=CNO)NN;BRCLCDZCPGOIJT-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366734;MM366734;C=CC#CC=CC(C)C#N;OMVPMXCFJLESSL-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366735;MM366735;CN=CNCCC(=O)NC;OKLDAVJRJNYRNH-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366736;MM366736;CC(C=O)C=CC#CC=O;NNQWDNVZKRMQOM-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366737;MM366737;CC=NNCCC(=N)NN;SAQLBWJOKRVDGA-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366738;MM366738;CC(C#N)C=CC#CC=O;XIGBCTZRAMSURX-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366739;MM366739;CC=NNCCC(=N)NO;LUVDCDYKKMOKGE-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366740;MM366740;CC(C=O)C=CC#CC#N;URPYFXJGURHCDG-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366741;MM366741;C=C(CCN=CNC)OC;YFTYDLDVWWISRA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366742;MM366742;CC(C#N)C=CC#CC#N;PQXSRZCSNPOPCD-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366743;MM366743;C=C(CCN=CNN)OC;JKJCCGHUUSBOQP-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366744;MM366744;C=CC#CC=CC(N)C=C;MXMVONFJYCTWLA-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366745;MM366745;COC(=O)CCN=CNN;IKGYJHJOBGKMKR-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366746;MM366746;C=CC#CC=CC(O)C=C;ZCVZNAZZHYXYJM-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366747;MM366747;C=C(CCNN=CC)OC;YTVPKIRVJSRFJJ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366748;MM366748;C=CC(O)C=CC#CC#N;RDADXRGVJCNBNI-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366749;MM366749;C=C(CC)CCOC=CC;YVDCIMUKABXDHL-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366750;MM366750;C=CC#CC=CC(O)C=O;ZBCCSKPXTDBSBG-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366751;MM366751;C=C(CN)CCOC=CC;PVWDDAQBJDWFEZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366752;MM366752;C=CC#CC=CC(O)C#N;NBFYVSWUVODPRI-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366753;MM366753;C=C(CO)CCOC=CC;NRRCYLLQZHIVNM-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366754;MM366754;O=CC#CC=CC(O)C=O;PRHNYXBWRPWFAW-UHFFFAOYSA-N;138.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366755;MM366755;CC=COCCC(=O)CC;HWWDATQLWGTBTE-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366756;MM366756;N#CC(O)C=CC#CC=O;YYYHNXBBFIFYJF-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366757;MM366757;CCC(=O)CCOC=CF;RKZRHEGYINBJCB-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366758;MM366758;N#CC#CC=CC(O)C=O;ZJFNOXGTVDPINQ-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366759;MM366759;CCCC1CC1C(C)CO;SLVBATOZYUBOKP-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366760;MM366760;N#CC#CC=CC(O)C#N;BOPVAJWKPPAVNZ-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366761;MM366761;C=C(CC)CCOC=NO;MXQHQYIKFKVHMP-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366762;MM366762;C=CC#CC=CC(F)C=C;CGILMUIMFVDUOO-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366763;MM366763;CC(CO)C1CC1CC#N;ZQSJOSIPFIDMCH-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366764;MM366764;C=CC(F)C=CC#CC=O;YTOALDYRPNZOBG-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366765;MM366765;C=C(CF)CCOC=NO;YOWFJLUJPBPPNZ-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366766;MM366766;C=CC(F)C=CC#CC#N;NCTMNJXLRNSQSX-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366767;MM366767;C=C(CC)CCON=CC;UNZIWMXNMJSJKW-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366768;MM366768;C=CC#CC=CC(F)C=O;FIVKLNVHCYDABX-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366769;MM366769;C=C(CN)CCON=CC;LUZPNIVRODXPSU-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366770;MM366770;C=CC#CC=CC(F)C#N;JCOHPSNRWSCPSH-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366771;MM366771;C#CCC1CC1C(C)CO;JLJSNZUOHNHKJV-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366772;MM366772;O=CC#CC=CC(F)C=O;IZCMFTJUBBWJEE-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366773;MM366773;C=C(CF)CCON=CC;QGVSKSLCVBNYDB-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366774;MM366774;N#CC#CC=CC(F)C#N;RZYDFWJZIDUXKV-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366775;MM366775;C=CC(C)C1CN1CC=O;NFCFMQQEWKXRCS-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366776;MM366776;C=CC#CC=CN(C)C=N;IRMJZOVWGRODMY-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366777;MM366777;CC#CC1CC1C(C)CO;SAVGMJYMCMHVNW-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366778;MM366778;CN(C=N)C=CC#CC=O;PEMXYPSHYVMNNK-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366779;MM366779;O=CCC#CC1NC1CF;MHDGGYIIYLNKHS-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366780;MM366780;C=CC#CC=CN(C)C=O;KVQZHJLOPCGATH-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366781;MM366781;CC=COCCC(=N)NC;GZKWTSFEJKVNEP-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366782;MM366782;CN(C=O)N=CC#CC#N;FZZUBFSMBSIMPT-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366783;MM366783;CNC(=N)CCOC=CF;QNOGOWAFEFNLLC-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366784;MM366784;C#CC#CC=CC(C)C=C;VEWCPSRKGRHLJQ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366785;MM366785;CC=COCCC(=N)NN;MAWPGRHFMDCOGD-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366786;MM366786;C#CC#CC=CC(C)C=O;PPISIQPANDWJFN-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366787;MM366787;CC=COCCC(=N)NO;LFEIGPFBKRBMNR-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366788;MM366788;C#CC#CC=CC(C)C#N;TXJBYQQXDFTADB-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366789;MM366789;N=C(CCOC=CF)NO;NMTKNHBUTKXQLZ-UHFFFAOYSA-N;148.14;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366790;MM366790;C#CC#CC=CC(N)C=C;PWXMBPCOMKJHIB-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366791;MM366791;CC=COCCC(=O)NC;LIYJYGBQPNCUOK-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366792;MM366792;C#CC#CC=CC(O)C=C;QPXGRIYHJHJSDS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366793;MM366793;CNC(=O)CCOC=CF;XELURWCJQPISOT-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366794;MM366794;C#CC#CC=CC(O)C=O;CZLSYMULFMXRAG-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366795;MM366795;N=C(CCOC=NN)NN;OZKUIPCLUCZDNP-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366796;MM366796;C#CC#CC=CC(O)C#N;BMSQISMJFBNBLY-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366797;MM366797;N=C(CCOC=NO)NN;GYDHPPNEMMFLFC-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366798;MM366798;C#CC#CC=CC(F)C=C;FJBZKYSJXGDALO-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366799;MM366799;N=C(CCOC=NN)NO;BPIXTQSHYQNSFL-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366800;MM366800;C#CC#CC=CC(F)C=O;XJTAMZYEOVEGLF-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366801;MM366801;N=C(CCOC=NO)NO;ZUQLRILNPREOSG-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366802;MM366802;C#CC#CC=CC(F)C#N;QVJFMEMFGYEUFL-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366803;MM366803;CCN1CC1C#CCC=O;SQDJOPOMDCVTSA-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366804;MM366804;C#CC#CC=CN(C)C=N;MNLBQOUKSCFFSB-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366805;MM366805;CNC(=O)CCOC=NO;AJDBUPNSWJZLEY-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366806;MM366806;C#CC#CC=CN(C)C=O;RTQOCYVUGXCJPO-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366807;MM366807;CC=NOCCC(=N)NN;QGLZVSWBLDSUDM-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366808;MM366808;C#CC#CC=CN(N)C=N;XQNLUYNMTGWJHV-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366809;MM366809;CC=NOCCC(=N)NO;LADSKODOLFGSHD-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366810;MM366810;C#CC(C)C=CC#CCC;AVZUMHJGKYCBAJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366811;MM366811;CC=COCCC(=O)OC;YFVYKDSEXDDNLH-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366812;MM366812;C#CC(C)C=CC#CCN;OYMPXBOMGCJKSU-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366813;MM366813;C=CC(O)CCC;BVOSSZSHBZQJOI-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366814;MM366814;C#CC(C)C=CC#CCO;IJBQRBJRKBXNLU-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366815;MM366815;C=C(CCOC=NO)OC;XWZIUQQAZJPLAQ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366816;MM366816;C#CC(C)C=CC#CCF;LOFAWJVBRXWMLP-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366817;MM366817;COC(=O)CCOC=NO;ILKMLPQLHUIYAE-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366818;MM366818;C#CC(N)C=CC#CCC;XKKTUZSFWUVMJO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366819;MM366819;C=C(CCON=CC)OC;CJZBXVHWWMUZPR-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366820;MM366820;C#CC(N)C=CC#CCF;PLXLBHLJYVWKDZ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366821;MM366821;CC=NOCCC(=O)OC;YXAUZIIROUBYDX-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366822;MM366822;C#CC(O)C=CC#CCC;MYNFHXAAYQJQPU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366823;MM366823;C=C(CC)CNCC=CF;XMSGKJWVOKKVHW-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366824;MM366824;C#CC(O)C=CC#CCF;RDFWFTHKEZYUND-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366825;MM366825;C=C(CN)CNCC=CC;VWYPLEWSGWZHEK-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366826;MM366826;C=C(CO)CNCC=CC;LJNSGVPNLRYBEB-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366827;MM366827;C#CC(F)C=CC#CCC;PJJXCVWZNQOQSR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366828;MM366828;C=C(CF)CNCC=CC;FCZRWCSIRKYIFR-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366829;MM366829;C#CC(F)C=CC#CCN;OJRLKDNRBBDNAQ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366830;MM366830;C=C(CF)CNCC=CF;DEBKWPRJSGGHHJ-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366831;MM366831;C#CC(F)C=CC#CCO;JYQWXAMIUSBYOS-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366833;MM366833;C#CC(C)C=CC#CC=C;POHKYGFLAJESKX-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366832;MM366832;N=C(CNCC=NN)NO;BVPYVGUANPCNKM-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366834;MM366834;CC=CC(O)CC;KWUXUOPPQQMMIL-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366835;MM366835;C#CC(C)C=CC#CC=O;RZRHXLPZMXJHIB-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366836;MM366836;COC(=O)CNCC=NO;GZOWPAFNKGYLFZ-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366837;MM366837;C#CC(C)C=CC#CC#N;FRENTALYNMVXPZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366838;MM366838;C=C(CN)CNN=CNO;KZHNQCSQJXSKFJ-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366839;MM366839;C#CC(N)C=CC#CC=C;JDHSTBFQTVEBFY-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366840;MM366840;C=C(CO)CNNC=NC;NTWVFENRBISBTD-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366841;MM366841;C#CC(O)C=CC#CC=C;YQURJCWSDKQKNC-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366842;MM366842;C=C(CC)C(C)O;WTZFNKJLZQBPJH-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366843;MM366843;C#CC(O)C=CC#CC=O;KGAXMKMJTYQYBY-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366844;MM366844;C=C(CF)CNNC=NC;OXQWEZLGQGORGJ-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366845;MM366845;C#CC(F)C=CC#CC=C;WNELZGJOTLPMGO-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366846;MM366846;CCC(=O)CNN=CNC;RSGVRYCZVCOZIA-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366847;MM366847;C#CC(F)C=CC#CC=O;AEJXWRXUYKACRG-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366848;MM366848;CC=C(C)C(C)O;ZUSDZQLJCVJXRL-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366849;MM366849;C#CC(F)C=CC#CC#N;WMOYZGRAPFRQMX-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366850;MM366850;Cc1c[nH]nc1N;KIHDRFDQWVMKES-UHFFFAOYSA-N;97.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366851;MM366851;C#CC#CC=CC(C)C#C;LZCCHGKYXDNUDL-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366852;MM366852;CNC(=N)CNNC=NN;CJYXULQSMUUTJY-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366853;MM366853;C#CC#CC=CC(N)C#C;QFWGNLRDNANVHH-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366854;MM366854;N=C(CNN=CNO)NN;NTOKAMAYIZEWHX-UHFFFAOYSA-N;146.15;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366855;MM366855;C#CC#CC=CC(O)C#C;GQDDATIZIJFRHE-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366856;MM366856;CN=CNNCC(=O)NC;PVVRTENWLXHSAM-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366857;MM366857;C#CC#CC=CC(F)C#C;DJBAYJLMFYPZGQ-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366858;MM366858;CC1CN1CC=O;UCXQXMZJOVLFKC-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366859;MM366859;C=C(C=CC#CCC)CC;WSSPNPRXQTYJBF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366860;MM366860;C=C(CNN=CNC)OC;GXKYXWQHCBFKHH-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366861;MM366861;C=C(C=CC#CCN)CC;RJPIFCRBONQXNV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366862;MM366862;N#CC1NC1C=O;MYDLNNCDAUSWLX-UHFFFAOYSA-N;96.09;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366863;MM366863;C=C(C=CC#CCO)CC;GLCXMKYBEOLRIW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366864;MM366864;CC=CCOCC(=O)CF;BCEWDNUIPCISQA-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366865;MM366865;C=C(C=CC#CCF)CC;NJFGTVKUUBJAKK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366866;MM366866;C=C(CN)COCC=NO;ARTKGHXALSQPDE-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366867;MM366867;C=C(C=CC#CCC)CN;XYKLOTVFPOQDPF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366868;MM366868;CC=CCOCC(=N)NC;MOENHDLCVDKZDC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C2";;;;;;;0.85;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366869;MM366869;C=C(C=CC#CCF)CN;IRGIBQFEEFQOID-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366870;MM366870;CC=CCOCC(=N)NN;ZCMSNEUFTHUPSR-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366871;MM366871;C=C(C=CC#CCC)CO;JLSBGIAEEWYZSO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366872;MM366872;CC=CCOCC(=N)NO;UPDUASLGBBBUEB-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366873;MM366873;CCC#CC=CC(=O)CC;WMOZMRBWDKEVAQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366874;MM366874;N=C(COCC=CF)NO;OSFYSHYBLQICLB-UHFFFAOYSA-N;148.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366875;MM366875;CCC(=O)C=CC#CCO;CXFYKFOFCZYTGD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366876;MM366876;CNC(=N)COCC=NN;TUNIKLOAQQWAMI-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366877;MM366877;CCC(=O)C=CC#CCF;LARNWCGYDFOZPZ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366878;MM366878;CNC(=N)COCC=NO;WMHFFBSARDAUES-UHFFFAOYSA-N;145.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366879;MM366879;CCC#CC=CC(=O)CO;CGLKQXGYPWYFIE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366880;MM366880;N=C(COCC=NN)NO;LGEJWHVNIRYVIR-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366881;MM366881;O=C(C=CC#CCO)CO;HSPIPSVDAHSHDP-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366882;MM366882;CNc1ccon1;UVEDQUMYFTWIPC-UHFFFAOYSA-N;98.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366883;MM366883;CCC#CC=CC(=O)CF;DBNKNGKCZXVDPP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366884;MM366884;C=C(COCC=NN)OC;WOSJJNICZXQBTK-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366885;MM366885;CCC#CC=CC(=N)NC;MIAMAPYYXBJXCA-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366886;MM366886;COC(=O)COCC=NN;RTHIUGKWXYCMCX-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366887;MM366887;CNC(=N)C=CC#CCF;MEOLYZJGXWIJTH-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366888;MM366888;C=C(CN)CONC=NC;QPIBYUJOASEZAP-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366889;MM366889;CCC#CC=CC(=N)NN;OUIGWHQOBKAAKU-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366890;MM366890;C=CC1(C)CC(O)C1;TXOGPUHMTCMQRN-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366891;MM366891;N=C(C=CC#CCF)NN;ONLPDQMTKMIEFO-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366892;MM366892;CN=CNOCC(=O)CO;IZUOIUCCYSOKPN-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366893;MM366893;CCC#CC=CC(=N)NO;YTKYWLHBJRZRBO-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366894;MM366894;C=CCC(=C)C(C)O;AFYPEQQXKGSLNS-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366895;MM366895;N=C(C=CC#CCN)NO;LUAMHDALTSFZCY-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366896;MM366896;CNC(=N)CON=CNN;JGBQJVUEIFKDCH-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366897;MM366897;CCCCC1CC1(C)CO;FLBUDJQJQYAXNI-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366898;MM366898;N=C(CON=CNO)NN;QWDZBOPLDGMGNR-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366899;MM366899;CNC(=O)C=CC#CCN;NITROOIVEPWKLY-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366900;MM366900;CN=CNOCC(=O)NC;NAMPJHAMZKDFBQ-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366901;MM366901;CNC(=O)C=CC#CCO;VRPOSZDQKNHWFJ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366902;MM366902;C=CC=C(C)C(C)O;KDUFXTLSDDDMAM-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366903;MM366903;CNC(=O)C=CC#CCF;VEAAFSSHCKOPNT-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366904;MM366904;COC(=O)CON=CNN;PMWVQVYVMXIRSV-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366905;MM366905;CC1(CO)CC1CCCF;LONCLGWUYDNPDW-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366906;MM366906;CC(=O)C1NC1CF;XAYWZFQOXIXBFJ-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366907;MM366907;C=CCCC1CC1(C)CO;NYTUQZAHSRCBTL-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366908;MM366908;O=C(CO)NCCC=CF;AOEIHERSPOQRSQ-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366909;MM366909;CCC#CC=CC(=O)NO;NWCOQUZNJOFYFQ-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366910;MM366910;CCC1CN1CC=O;ZTNHUJAOKHHYIM-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366911;MM366911;NCC#CC=CC(=O)NO;LTBCDDMBTQLYMS-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366912;MM366912;CCC(=O)NCCC=NO;VSBUFQPYLYXICD-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366913;MM366913;O=C(C=CC#CCO)NO;MLLDQDDJRKLFJH-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366914;MM366914;O=C(CF)NCCC=NO;NRQHFNDHOFLKBO-UHFFFAOYSA-N;148.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366915;MM366915;C=C(C=CC#CCO)OC;WTKMOWHSNNQNQN-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366916;MM366916;CC=CCCNC(=N)NC;PPCATGYIHRQUEN-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366917;MM366917;C=CC#CC=CC(=C)CC;GAEHKSYBCMFQOL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366918;MM366918;CC=CCCNC(=O)NC;GYQKEZXASRCPOT-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C1";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366919;MM366919;C=C(C=CC#CC=O)CC;ARVRLIJHNVRACY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366920;MM366920;N=C(NN)NCCC=NN;XOSWYKXMNSTSQI-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366921;MM366921;C=C(C=CC#CC#N)CC;JLSNSJNLERFHCX-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366922;MM366922;CCC(=N)NNCC=CF;PIAXUWDUHZPQEC-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366923;MM366923;C=CC#CC=CC(=C)CN;GUCDATRFNRSRSV-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366924;MM366924;N=C(CO)NNCC=NO;HUQMNRVLSOGXII-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366925;MM366925;CC=CC1(C)CC(O)C1;BDSRIONQYBVZPQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366926;MM366926;C=CC#CC=CC(=C)CO;PRRVZXBNNZDEEA-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366927;MM366927;CNC(=O)NNCC=NO;WYFYDXFEOJDNOZ-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366928;MM366928;C=CC#CC=CC(=O)CC;XDDZXABLEBBQRQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366929;MM366929;NN=CCNNC(=O)NO;WDMUMYNMMUJJHG-UHFFFAOYSA-N;147.14;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366930;MM366930;CCC(=O)C=CC#CC=O;QJTWRZRULKNMRB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366931;MM366931;O=C(NO)NNCC=NO;OPJOKMUIVWCLTI-UHFFFAOYSA-N;148.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366932;MM366932;CCC(=O)C=CC#CC#N;YOBLXXIQSOOONU-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366933;MM366933;COC(=O)NNCC=NO;UGZBBGFVQSBVRB-UHFFFAOYSA-N;147.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366934;MM366934;C=CC#CC=CC(=O)CO;ADLLJAUHCJXKGX-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366935;MM366935;N=C(CO)NOCC=CF;GBIYTCGHQXYIQG-UHFFFAOYSA-N;148.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366936;MM366936;O=CC#CC=CC(=O)CO;FGJHYHPBVYRGLE-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366937;MM366937;CN=c1c(=NN)o[nH]n1O;XUDMQLFFMJNMNF-UHFFFAOYSA-N;145.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366938;MM366938;N#CC#CC=CC(=O)CO;ZYCJBUZUWTXLNT-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366939;MM366939;CCC(=N)NOCC=NN;FXZVWZUFSWNTPU-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366940;MM366940;C=CC#CC=CC(=O)CF;OFPNVPFBWXNTFI-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366941;MM366941;N=C(CO)NOCC=NN;GNJAQVDHWHBZKY-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366942;MM366942;O=CC#CC=CC(=O)CF;DXBZJSNKJHOFRA-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366943;MM366943;N=C(NN)NOCC=CF;YTDOTYZFGHYNGD-UHFFFAOYSA-N;148.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366944;MM366944;N#CC#CC=CC(=O)CF;WQIHYFZAHUMDTB-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366945;MM366945;N=C(NO)NOCC=CF;YQSQQBPVLJTYHM-UHFFFAOYSA-N;149.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366946;MM366946;C=CC#CC=CC(=N)NC;WGBKHEJXLMVSFK-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366947;MM366947;NNC(=O)NOCC=CF;CQJSFSGVLCGLPX-UHFFFAOYSA-N;149.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366948;MM366948;CN=C(N)C=CC#CC=O;UHKHJWXDOJLEBM-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366949;MM366949;CNC(=N)NOCC=NN;JVRFDHHPHFZIKU-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366950;MM366950;CNC(=N)C=CC#CC#N;FLWOZUVXUQZEIH-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366951;MM366951;N=C(NO)NOCC=NN;DKODURFWCSKZTN-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366952;MM366952;C=CC#CC=CC(=N)NN;LUHBIFUPQDLCIQ-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366953;MM366953;C=CC1(C)C=CC(O)C1;TVHLLJYRTPVDHW-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366954;MM366954;C=CC#CC=CC(=N)NO;MLDLHLIVICKLLN-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366955;MM366955;NN=CCONC(=O)NO;HHGFENAKIGUJPB-UHFFFAOYSA-N;148.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366956;MM366956;CC1(CO)CC1CCC=O;KUIGWTXGUHCMNT-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366957;MM366957;C=C(CN)OCCC=CC;MOSMYOTVZUSUOF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366958;MM366958;CNC(=O)C=CC#CC#N;QCINQLWYQWXLNI-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366959;MM366959;C=C(CF)OCCC=CC;RIWXMWGNEYCWRA-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366960;MM366960;C=CC#CC=CC(=C)OC;NRMFPYWERGJWGF-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366961;MM366961;CC=CCCOC(=O)CC;INRRKDSJXNBXGI-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366962;MM366962;C=C(C=CC#CC#N)OC;JSAMWIVABBIVDD-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366963;MM366963;CCC(=O)OCCC=CF;DLFDOFMGLUZJFL-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366964;MM366964;C#CC#CC=CC(=C)CC;GWSNMOYRKAILNE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366965;MM366965;CC=CCCOC(=O)CF;CLHHOLFAYPOCOR-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366966;MM366966;C#CC#CC=CC(=C)CN;XAYRCACIEBXIAX-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366967;MM366967;C=C(CO)OCCC=NO;APVSEWNTKFMPEV-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366968;MM366968;C#CC#CC=CC(=C)CO;DCNFPHJAZWZQRS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366969;MM366969;CCC(=O)OCCC=NN;HYQMXHRVKJWMJS-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366970;MM366970;C#CC#CC=CC(=C)CF;HEXPTPWBVGGNLF-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366971;MM366971;C=C(C)OC=NNC=N;TYONLKOOJHUJKZ-UHFFFAOYSA-N;127.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366972;MM366972;C#CC#CC=CC(=O)CC;SOWFYOIEYOJEGB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366973;MM366973;C=C(CC=CC)C(C)O;BZTTYSQXEUWDQZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366974;MM366974;C#CC#CC=CC(=O)CF;IRLLFLHJNNLRMX-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366975;MM366975;CNC(=O)OCCC=NO;MCQFHOXAFANUCT-UHFFFAOYSA-N;146.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366976;MM366976;C#CC#CC=CC(=N)NC;ZBQLAGQMJXUWGJ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366977;MM366977;O=C(NO)OCCC=NO;DFWHFNBTFBKYGP-UHFFFAOYSA-N;148.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366978;MM366978;C#CC#CC=CC(=O)NC;QMDQMRXTDLLRIN-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366979;MM366979;COC(=O)OCCC=NN;YIQUDLJRXPDQPP-UHFFFAOYSA-N;146.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366980;MM366980;C#CC#CC=CC(=O)NO;VSGXZXZOVWBZSR-UHFFFAOYSA-N;135.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366981;MM366981;C=C(CC)OCOC=CC;FZWGZUVUFSJBRY-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366982;MM366982;C#CC#CC=CC(=C)OC;XFAFFZZMEQSUBW-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366983;MM366983;C=C(CO)OCOC=CC;HGHBIZOBUVYCOV-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366984;MM366984;C=CC(=C)C=CC#CCC;LTMFTQJDFSHLKE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366985;MM366985;C=C(CO)OCOC=CF;RXOBNMBKTLTCQS-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366986;MM366986;C=CC(=C)C=CC#CCN;AGACKHALOYSIDO-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366987;MM366987;CC=COCOC(=O)CC;NEMUSYROHLDJSB-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366988;MM366988;C=CC(=C)C=CC#CCO;RKJVBZMDRFIFMO-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366989;MM366989;CC=COCOC(=O)CO;DKKKNLHRIKMBNM-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366990;MM366990;C=CC(=C)C=CC#CCF;PUDUOJSZCRRBET-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366991;MM366991;O=C(CO)OCOC=CF;IZNZZLLBZFVLOU-UHFFFAOYSA-N;150.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366992;MM366992;C=C(C=O)C=CC#CCC;ZGWPGRHFOLKSDU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366993;MM366993;CC=CC=C(C)C(C)O;LYSUHDZRIXZMNK-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366994;MM366994;C=C(C#N)C=CC#CCC;ZPPTUTKISJPINH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366995;MM366995;C=C(CC)OCOC=NO;BSXORIQETLETFY-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366996;MM366996;C=C(C#N)C=CC#CCO;BDAFRBNBRYLKQZ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366997;MM366997;C=C(CN)OCOC=NO;ROKUYDMBNFKWRL-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366998;MM366998;C=CC(=O)C=CC#CCC;UWJHSLXKGZLQCU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM366999;MM366999;CCC(=O)OCOC=NO;HTHJANUUMUNSGZ-UHFFFAOYSA-N;147.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367000;MM367000;C=CC(=O)C=CC#CCO;GZAMZLKTQYGBME-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367001;MM367001;CC(=CC=CF)C(C)O;MHPGMRPVGGNQLN-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367002;MM367002;C=CC(=O)C=CC#CCF;YBRCSFMXAXQSGV-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367003;MM367003;C=C(CF)OCON=CC;ZGFRFGRAXBHHAI-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367004;MM367004;CCC#CC=CC(=O)C=O;YRHHVRHWCQPDMB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367005;MM367005;CC=NOCOC(=O)CC;GKHGCCIEJXOLRO-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367006;MM367006;C=CC#CC=CC(=C)C=C;IZVHXDDMNKPEBS-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367007;MM367007;CNN=CCC(C)C=O;KJIPEKCPUUEHER-UHFFFAOYSA-N;128.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367008;MM367008;C=CC(=C)C=CC#CC=O;KKCDADMJDCVZOY-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367009;MM367009;CC=COCOC(=O)NC;VMOBMMNCGZCLJO-UHFFFAOYSA-N;145.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367010;MM367010;C=CC(=C)C=CC#CC#N;YRCRJYZPSAZDJM-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367011;MM367011;COC1CN(CC=O)C1;SREBNMYEUUZNEQ-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367012;MM367012;C=CC#CC=CC(=C)C=O;JHEINWXYZGGOGR-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367013;MM367013;NNC(=O)OCOC=CF;BHGIHLBPHSGEEC-UHFFFAOYSA-N;150.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367014;MM367014;C=CC1=CC(O)CC1C;SZNNFDFOHLAHRH-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367015;MM367015;C=CC#CC=CC(=C)C#N;OJYLVIOTCMDGGK-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367016;MM367016;CC1C(=O)CNN1C=O;BOWJYCVCSCVBDC-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367017;MM367017;C=C(C=O)C=CC#CC=O;CGJGKCDJTAQEMU-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367018;MM367018;NNC(=O)OCOC=NO;JAEGZNBOCYQLHE-UHFFFAOYSA-N;149.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367019;MM367019;C=C(C#N)C=CC#CC=O;HIKMGQYGLPTCTI-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367020;MM367020;CCCC1CN1CC=O;CJLCYSWWHKNCSD-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367021;MM367021;C=C(C=O)C=CC#CC#N;MGDRIBPOUCGYEP-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367022;MM367022;COC(=O)OCOC=NO;GYRNIZVQPWPEEU-UHFFFAOYSA-N;149.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367023;MM367023;C=CC#CC=CC(=O)C=C;PTFFVVICFJUEKU-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367024;MM367024;C=CC(=C)CCCC=CC;HSKNGFLJEKMTCY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367025;MM367025;C=CC(=O)C=CC#CC=O;GESQKAAGQFESPL-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367026;MM367026;C=C(C#N)CCCC=CC;ZEJGMDZSHHHYKF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367027;MM367027;C=CC(=O)C=CC#CC#N;NBXVPVYLAFECPJ-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367028;MM367028;C=CC(=O)CCCC=CC;WGFIHHCUPFAZQE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367029;MM367029;C=CC#CC=CC(=O)C=O;XYAWRQCHJDGKRE-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367030;MM367030;C=CC(=O)CCCC=CF;AXEIYJXYCGKXHN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367031;MM367031;C=CC#CC=CC(=O)C#N;PPAICJLRWWMTNZ-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367032;MM367032;O=CC(=O)CCCC=CF;IIUQLTJKYRQPOX-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367033;MM367033;O=CC#CC=CC(=O)C=O;DBILUIYHASZSHO-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367034;MM367034;N#CC(=O)CCCC=CF;KCKZHJMBUWFZIH-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367035;MM367035;N#CC#CC=CC(=O)C=O;DSDJAIXXXIKOEY-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367036;MM367036;C=C(C=O)CCCC=NO;PAPTZLBQBILBFP-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367037;MM367037;N#CC(=O)C=CC#CC=O;HRKOJCGPSNHZQP-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367038;MM367038;C=CC(=O)CCCC=NO;JDNBDFWCPYEKPE-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367039;MM367039;N#CC#CC=CC(=O)C#N;HZVXOWFUIALNDU-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367040;MM367040;C=CC(=C)CCNC=NN;IBLJWPDXPDQEEX-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367041;MM367041;C#CC#CC=CC(=C)C=C;YZFZXWFAOFRQIU-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367042;MM367042;C=CCC1CN1CC=O;AQWBGQZGABYFRE-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367043;MM367043;C#CC#CC=CC(=C)C=O;CYHRKFKUOLKOKZ-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367044;MM367044;CC(C)C1CN1CC=O;OIUXPMQMHUWABQ-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367045;MM367045;C#CC#CC=CC(=C)C#N;FGRDIKDVCMWRTH-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367046;MM367046;C=CC(=O)CCNC=NC;HEFSSHUPXHSEGZ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367047;MM367047;C#CC#CC=CC(=O)C=C;OZESMCMOWLXIKN-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367048;MM367048;C=C(C=O)CCNN=CC;CKXQVJBWQCMRNN-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367049;MM367049;C#CC#CC=CC(=O)C=O;KTCJVNHDEVNMMH-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367050;MM367050;CC=COC=NNC=N;BEIRFRLCBNGGSW-UHFFFAOYSA-N;127.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367051;MM367051;C#CC#CC=CC(=O)C#N;SWLKBQXZACSGHH-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367052;MM367052;C#CC=CC(O)C1CC1;RNMSJWGLMZBSSU-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367053;MM367053;C#CC(=C)C=CC#CCC;XCJVZVHUXSRPRV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367054;MM367054;C=CC(=C)CCOC=CC;JTXRMPBBRCXLKU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367055;MM367055;C#CC(=C)C=CC#CCN;KPGCKKAOAOKVNQ-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367056;MM367056;C=C(C=O)CCOC=CC;NTVIDSUXSQIPPX-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367057;MM367057;C#CC(=C)C=CC#CCO;RPMSHUSEOSEPLS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367058;MM367058;C=C(C#N)CCOC=CC;ARRAKXSWFKLDLL-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367059;MM367059;C#CC(=C)C=CC#CCF;BPGXBHNSHKVMNR-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367060;MM367060;C=C(C=O)CCOC=CF;KJSBGFZVMZIEFW-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367061;MM367061;C#CC(=O)C=CC#CCC;BJPWJUPVSWPBLV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367062;MM367062;C=C(C#N)CCOC=CF;ZUGBAVYZYNGBGN-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367063;MM367063;C#CC(=O)C=CC#CCO;SFFFLQFSOFBVNN-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367064;MM367064;C=CC(=O)CCOC=CC;BEFBARJMNKBUCA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367065;MM367065;C#CC(=C)C=CC#CC=C;FWXZVXZCIRXSEY-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367066;MM367066;CC=COCCC(=O)C=O;LYHZEDMSSVLLIJ-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367067;MM367067;C#CC(=C)C=CC#CC=O;JSSNWJBJSIMUNF-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367068;MM367068;CC=COCCC(=O)C#N;IAWMOJSSZXRFNT-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367069;MM367069;C#CC(=C)C=CC#CC#N;AKUFXLRTSHNETK-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367070;MM367070;O=CC(=O)CCOC=CF;VANHDQYWHGUELH-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367071;MM367071;C#CC(=O)C=CC#CC=C;JPYGTJPYSJYUCH-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367072;MM367072;N#CC(=O)CCOC=CF;JFAYLKWJTHMPJO-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367073;MM367073;C#CC(=O)C=CC#CC=O;CVEDSJFCMDPCLS-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367074;MM367074;C=CC(C)(O)C=CC(=C)C;HIYNIZVNAZRTBY-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367075;MM367075;C#CC(=O)C=CC#CC#N;CZZHASKLSBCBIZ-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367076;MM367076;C=CC(=C)CCOC=NO;LDRJDXZHGHFUNK-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367077;MM367077;C#CC#CC=CC(=C)C#C;ZRCOEHOKSCPRMX-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367078;MM367078;C=CC(=C)CCON=CC;JDSGXXKSKWYJGK-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367079;MM367079;C#CC#CC=CC(=O)C#C;RMXRHOCMUVLJEG-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367080;MM367080;C=C(C=O)CCON=CC;MPECCUGELFUKHP-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367081;MM367081;CC=C(C)C=CCCCC;XKMFEKAHZCEVJG-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367082;MM367082;C=C(C#N)CCON=CC;WHYKIOTWDVYBPL-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367083;MM367083;CC=C(C)C=CCCCN;XEWACSROFBZLLG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367084;MM367084;C#CCC=CC(C)(O)C=C;JNXOULWDZDGSNO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367085;MM367085;CC1(CO)CC1CCC#N;PJUYDMVKQHJPQH-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367086;MM367086;C=CC(=C)CNCC=CF;HCLFTPHAFPNRSD-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367087;MM367087;CC=C(C)C=CCCCF;OVRWGCVUPBNGEI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367088;MM367088;C=C(C#N)CNCC=CF;HRLJHIUFMZUOBL-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367089;MM367089;CC(C=CCCCN)=CF;LOTMUSBJDXZVHS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367090;MM367090;C#CC(C)CC1(C)CC1O;OYWKPEXYJUGJFA-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367091;MM367091;CC=C(F)C=CCCCN;GOWCWRMYCDTSDP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367092;MM367092;C=C(C#N)CNCC=NO;AKVYGEOWIOUMQW-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367093;MM367093;CCCCC=CC(F)=CF;NNYHAFUTYOJILJ-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367094;MM367094;CC(C=O)CC=NN(C)C;YVDLXZQPRFKMLH-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367095;MM367095;NCCCC=CC(F)=CF;RZRJKPGEJRASBC-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367096;MM367096;C=C(C#N)CNNC=NC;GYMCLLFUHBDLBE-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367097;MM367097;CC=C(C)C=CCCNC;ZBARITAJFAFKOD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367098;MM367098;C=CC(=O)CNNC=NC;SLIMFEBTESWYHI-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367099;MM367099;C=CC(=C)COCC=CC;GNRSOERGIOXBQQ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367100;MM367100;CNCCC=CC(C)=CF;XCGOZEFMDLNUGZ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367101;MM367101;C=CC(=O)COCC=CF;SDFWTPXYZBUFPZ-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367102;MM367102;CC=C(F)C=CCCNC;NDGCEMSHKONNFH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367103;MM367103;O=CC(=O)COCC=CF;AQVLQNNJIGFRFQ-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367104;MM367104;CNCCC=CC(F)=CF;KIWJICBKFSJAEO-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367105;MM367105;C=C(C#N)CONC=NC;YAOIWFQMIYQYBW-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367106;MM367106;CC=C(C)C=CCCOC;AQYUMAVULJMFCY-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367107;MM367107;CN=CNOCC(=O)C=O;SNDYSOUACIHGEN-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367108;MM367108;CCNCC=CC(C)=CF;ALSFPLOROLMHFG-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367109;MM367109;CC=CCCN=C(N)C=O;BKYHQUINQQKCSS-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367110;MM367110;CCCCC=CC(C)=NN;IOUAKXNJURFCGV-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367111;MM367111;CC=CCCNC(=O)C=O;LKRLUZACRYZUGT-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367112;MM367112;C#CCCC1CC1(C)CO;KCICEXALZKOGHO-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367113;MM367113;N#CC(=O)NCCC=NO;UISAFBMZWRRWIX-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367114;MM367114;CC(C=CCCCF)=NO;XQOSCTKNGSEOPW-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367115;MM367115;COC(=O)CN(C)CC=O;VSGIBHGJZLKHMD-UHFFFAOYSA-N;145.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367116;MM367116;CC=C(C)C=COCCC;GNHACMPJBYPBRF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367117;MM367117;C#CCC(CO)CC(C)C;RAKGINYHILWAIP-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367118;MM367118;CC(C=COCCO)=CF;PUZDOFVRPVQYCB-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367119;MM367119;NC(C=O)=NNCC=NO;UBNXZPMJUKHHQY-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367120;MM367120;CC=C(F)C=COCCC;HBLBXXFDSZSTQW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367121;MM367121;N#CC(=N)NNCC=NO;FAHXIZXAAJAHLV-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367122;MM367122;CC=C(F)C=COCCO;DBAIIUSJNPJHMU-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367123;MM367123;C=CC(=CC(=O)O)NC;HUCRWUDWOLTWJA-UHFFFAOYSA-N;127.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367124;MM367124;OCCOC=CC(F)=CF;XOFPFSIRSIEWBF-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367125;MM367125;O=C(O)CC1(CF)CN1;MGFPJKSZTGVQNC-UHFFFAOYSA-N;133.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367126;MM367126;CC(C=COCCF)=NO;OFLCPJBNAAQTBY-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367127;MM367127;CC=CCCOC(=O)C=O;UKHQVXAFNZVMBV-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367128;MM367128;C#CCCC(=C)C1(O)CC1;MPEICQMGHIICRQ-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367129;MM367129;CC=CCCOC(=O)C#N;PYFSKTWMHOJEBS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367130;MM367130;CCCNN=CC(C)=CF;WGANVXPKNJKFFU-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367131;MM367131;O=CC(=O)OCCC=NO;WYIPBHBISMSUNR-UHFFFAOYSA-N;145.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367132;MM367132;CC(C=NNCCN)=CF;MUVCJUNLPAZVAM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367133;MM367133;C=CC(=C)OCOC=CC;DVRPFMSYTWBXHH-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367134;MM367134;CC=C(F)C=NNCCN;WHMWAMXPNDQYOF-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367135;MM367135;C=C(C=O)OCOC=CC;SUCGCAHUFNBQMM-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367136;MM367136;C=CC(=C)CC1C(C)C1O;LMQUSDSWNDSLNF-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367137;MM367137;C=C(C#N)OCOC=CC;KCYBBYYHISOIRW-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367138;MM367138;CCCNN=CC(F)=CN;FXRHNQCKPQSYFN-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367139;MM367139;C=C(C=O)OCOC=CF;AXRMZFSKAOTZFP-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367140;MM367140;C=CC(C=O)C(C)NN=C;DMVRTYIPVCQXGE-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367141;MM367141;C=C(C#N)OCOC=CF;VZNODIPYRYAAPH-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367142;MM367142;CCCCCC1(CO)CC1;NMHGEMCFEPVYCH-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367143;MM367143;C=CC(=O)OCOC=CC;MNIQBAYVTOWQPX-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367144;MM367144;CC(C=NNCCF)=NO;KHXVSZTUMCZEIV-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367145;MM367145;CC=COCOC(=O)C=O;CSERJAVGSIBUBN-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367146;MM367146;CC=C(C)C=NOCCC;FGSLBOXLJORUHZ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367147;MM367147;CC=COCOC(=O)C#N;CIZVJAUVRLKXOR-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367148;MM367148;CC=C(C)C=NOCCN;HWQXGDIRCCWNIE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367149;MM367149;N#CC(=O)OCOC=CF;SGPARNBKKDTBIG-UHFFFAOYSA-N;145.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367150;MM367150;OCC1(CCCCF)CC1;OZGHKHQIYWXETF-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367151;MM367151;CC(=O)C(C=O)=NN(C)C;NOIWDRLHAVDDMA-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367152;MM367152;C=CCCCC1(CO)CC1;YTKAXTUTKQUASK-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367153;MM367153;C=CC(=C)OCOC=NO;MLZDVTURVNCGHN-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367154;MM367154;CC=C(F)C=NOCCN;POXSUPXESXHMRC-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367155;MM367155;C=CC(=O)OCOC=NO;OAYAEHMDINCZNT-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367156;MM367156;N#CCCCC1(CO)CC1;CAJDCUOTFFPZOL-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367157;MM367157;O=CC(=O)OCOC=NO;NKDOKBYYEIQYRO-UHFFFAOYSA-N;147.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367158;MM367158;CCCON=CC(F)=CN;YNJLZSJYFIJYNO-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367159;MM367159;N#CC(=O)OCOC=NO;YMFBNLFDZAAYDX-UHFFFAOYSA-N;144.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367160;MM367160;FC=C(F)C=NOCCF;OZCDKLFTTRKQBL-UHFFFAOYSA-N;153.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367161;MM367161;C=CC(=C)OCON=CC;UVAMRNHOBIJABA-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367162;MM367162;CC=C(C)C=NOCOC;QIIJQFMDSKFVRN-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367163;MM367163;C=C(C#N)OCON=CC;JZDUKGGXPMFSTH-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367164;MM367164;COCON=CC(C)=CF;IAXURJQURBTRSD-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367165;MM367165;C=CC(=O)OCON=CC;XQMYBRVZROGSRO-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367166;MM367166;C#CCCCC1(CO)CC1;JXOPHPBMWOHADO-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367167;MM367167;C#CC(=C)CCCC=CC;ILMGUEGVCJUKBT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367168;MM367168;COCON=CC(C)=NO;MOEFJKIMOXMVRD-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367169;MM367169;C#CC(=O)CCCC=CF;CCJPCRNFMVKFDP-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367170;MM367170;C=CCCC=CC(C)=CC;DZTLAZAMCRAJDR-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367171;MM367171;C#CC(=C)CCNC=NC;VMNFMJHOEXNKER-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367172;MM367172;CC=C(C)C=CCCC=O;ZJPJAYHAKYFXHE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367173;MM367173;C#CC(=O)CCNC=NC;OVVTTWPVGPMETI-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367174;MM367174;CC=C(C)C=CCCC#N;UDGJAMUXDFQPIQ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367175;MM367175;C#CC(=C)CCNN=CC;QOTFYUZGZJIFFO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367176;MM367176;CC(C=CCCC=O)=CF;GXZLLAXWWXVUEK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367177;MM367177;CC(C)=COC=NNC=N;YPVWIRPNBODSTM-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367178;MM367178;CC=C(F)C=CCCC=O;JLIOMWTUUDVULW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367179;MM367179;C#CC(=C)CCOC=CF;GOQMJWUKTQMKMG-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367180;MM367180;CC=C(F)C=CCCC#N;PEWWOKIRRAGUPD-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367181;MM367181;CC=NN=CNC=C(F)F;XIFDCFSQPSYNMM-UHFFFAOYSA-N;147.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367182;MM367182;C#CC(=C)CCOC=NO;PRRIELRRLWJPJR-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367183;MM367183;O=CCCC=CC(F)=CF;GFYHWEPDDQAAHH-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367184;MM367184;C#CC(=O)CCOC=NO;NGNKGMWMXMHBFA-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367185;MM367185;N#CCCC=CC(F)=CF;FADYLCWYVXMOHI-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367186;MM367186;C#CC(=C)CCON=CC;XOVJHAQKHGZHLA-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367187;MM367187;C=CCCC=CC(C)=NN;OONXPTVCZMBEOG-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367188;MM367188;C#CC(=C)CNNC=NC;YBPWXZHFLZDWQT-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367189;MM367189;C=COCC=CC(C)=NO;VHBOPVOGMOKAKU-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367190;MM367190;C#CC(=O)COCC=CC;PUXNFESGICCSNY-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367191;MM367191;CC(C=CCOC=O)=NO;KJKMUUBRIUBJPE-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367192;MM367192;C#CC(=C)COCC=NN;IMFFEVMCXRYHIP-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367193;MM367193;CC1(CO)CC1CC1CC1;RVBCGCDUGWEUPS-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367194;MM367194;C#CC(=C)CONC=NC;PQDZNDPEZLATJE-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367195;MM367195;C=CC#CC1CC1C(C)O;PAIILYPTATYIPU-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367196;MM367196;C#CC(=O)CONC=NO;DQCANYQFLLXDMU-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367197;MM367197;C=CCOC=CC(C)=CF;CCOLHTXBJUINFP-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367198;MM367198;C#CC(=N)NCCC=NO;IBWHEMBKDWINOS-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367199;MM367199;CC(C=COCC=O)=CF;KPEMILMGPNMYHE-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367200;MM367200;CCN=C(C)NN=COC;HSPYVQFCPINBGY-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367201;MM367201;CC(C=COCC#N)=CF;PMJJBRYSJBCKAU-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367202;MM367202;C#CC(=O)NCCC=NO;LUORKYOFIUKQJA-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367203;MM367203;CC=C(F)C=COCC#N;HIWAFKCDCKSALC-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367204;MM367204;C#CC(=O)NNCC=CC;CKTHRKDJOFYFJD-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367205;MM367205;N#CCOC=CC(F)=CF;ZSKRHKVPKPJUOT-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367206;MM367206;C#CC(=O)NOCC=NN;XQNLYKHCVAEEQW-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367207;MM367207;C=CCOC=CC(C)=NN;PZFVWORTKFDKSO-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367208;MM367208;C#CC(=O)OCCC=CC;PCVWBDVEXJDLAP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367209;MM367209;C=CCOC=CC(C)=NO;DXZLAACSFIGNRQ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367210;MM367210;C#CC(=C)OCOC=CC;FSMWMGPENGNGOX-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367211;MM367211;O=CC=NOCOCC=O;WCFFNJIBKWDTFE-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367212;MM367212;C#CC(=C)OCOC=CF;RBSLCAHGFSRBTR-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367213;MM367213;O=c1nncc2[nH]onc1-2;RRYQOYHHMDYKFC-UHFFFAOYSA-N;138.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367214;MM367214;C#CC(=O)OCOC=CC;YFYMEWUQCAIWHX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367215;MM367215;C=CCNN=CC(F)=CF;JUZOYCCNVGUAGQ-UHFFFAOYSA-N;146.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367216;MM367216;C#CC(=O)OCOC=CF;KOMJQQWXNLLWMS-UHFFFAOYSA-N;144.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367217;MM367217;O=CC12C=CC(CO)C1C2;BXFNZAKOGJJJRM-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367218;MM367218;C#CC(=C)OCON=CC;AIAZWTVZLMTLKN-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367219;MM367219;OCC1(CCC2CC2)CC1;DVEUKXPLIBDYHI-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367220;MM367220;CC#CCCCC(C)CC;FWCZNTRVQUVYFJ-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367221;MM367221;C=CCON=CC(F)=CC;DPYBHAYLYVASCC-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367222;MM367222;CC#CCCCC(C)CN;UASLWRGPWXCAEZ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367223;MM367223;C=CCON=CC(F)=CN;ZPQOUDUKLVEHGL-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367224;MM367224;C=C(CC=CCC)C(C)O;QCZWMSYSNXBCQI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367225;MM367225;N=CC(F)=CNOCC=O;LCBUGUSFXZLLPM-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367226;MM367226;CC#CCCCC(N)CC;OQUPWHKCRGAYRS-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367227;MM367227;N#CCON=CC(F)=CN;LQBYTMCFPPQBRR-UHFFFAOYSA-N;143.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367228;MM367228;CC#CCCCC(N)CN;FOJNWIHZQBRAEV-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367229;MM367229;OCC1(CCC2CO2)CC1;LBVRVFRQLRNTOC-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367230;MM367230;CC#CCCCC(N)CO;OYJPJSQDNNHOMZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367231;MM367231;N#CCON=CC(F)=CF;XGECNRLIXBLPNV-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367232;MM367232;CC#CCCCC(N)CF;LGBIFFDXMQXBGI-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367233;MM367233;CC12C=CC(O)(C1)C2;OSLFVAGYOKMOGQ-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367234;MM367234;CCC=CC=C(C)C(C)O;MGLJLRHRRXWCKS-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367235;MM367235;CC(C=NOCC#N)=NO;BAYPJPBUHITSSL-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367236;MM367236;CC#CCCCC(O)CN;XDGRUGYLLZIHGA-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367237;MM367237;C#CCCC=CC(C)=CC;PLRVEBGLIBHOOM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367238;MM367238;CC#CCCCC(O)CO;AQFZADYMAHLUSR-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367239;MM367239;C#CCCC=CC(F)=CC;YZWJANRVMBNLQA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367240;MM367240;CC#CCCCC(O)CF;SDVQEYBEWJFBID-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367241;MM367241;C#CCCC=CC(F)=CF;UAHCQRMLTBUWKN-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367242;MM367242;CC#CCCCC(F)CC;LQMNHNBUYQXGNG-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367243;MM367243;C#CCCC=CC(C)=NN;KMIUJJFUTSKJPQ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367244;MM367244;CC#CCCCC(F)CF;BBPYLNWTPLOLLT-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367245;MM367245;C#CCOC=CC(C)=CF;JLJJNFWCBRELGF-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367246;MM367246;CC#CCCCC(C)NC;QRJFZPULOSOKRC-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367247;MM367247;C#CCOC=CC(F)=CC;MVHWJTWQISLZFO-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367248;MM367248;CC#CCCCC(C)OC;RKTMLPRCGQZLOC-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367249;MM367249;C#CCOC=CC(C)=NN;SQUMOOXLPFBQDR-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367250;MM367250;CC#CCNCC(C)CF;ITLJSGIGCRZDSU-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367251;MM367251;C#CCOC=CC(C)=NO;ISKJIKAMGZIYIH-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367252;MM367252;CC#CCNCC(N)CC;VCMXFXQKDHCUGK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367253;MM367253;C#CCNN=CC(C)=CC;KSVCOUQFOFVRBJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367254;MM367254;CC#CCNCC(O)CC;TVWYSONAJJIGQU-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367255;MM367255;CC1(CO)CC(C=O)C1;GXJPKKILNSGLOK-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367256;MM367256;CC#CCNCC(O)CF;QETHFMZJXVVRGP-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367257;MM367257;C=C(C)CC(CC)CO;XNKLYDRPRIPJKF-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367258;MM367258;CC#CCNCC(F)CN;SPKLYHNKKKYYSW-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367259;MM367259;C=C(C)C(C)C(C)CO;YZAUURHZRJXFJF-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367260;MM367260;CC#CCNCC(C)NC;XOOXDXGQNPFYIZ-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367261;MM367261;C#CCON=CC(F)=CC;OSDAVXSJXXKXMF-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367262;MM367262;CC#CCNCC(C)OC;XVFYTKBIMGZSHJ-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367263;MM367263;CC#CCOCC(C)CC;JBWVEIRSOMRKPY-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367264;MM367264;C#CCON=CC(F)=CN;HTBHGOJJYDNOBM-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367265;MM367265;CC#CCOCC(C)CN;GJZDAWQIWKPBDA-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367266;MM367266;C#CCON=CC(F)=CF;RNNIJZXXPKUFKB-UHFFFAOYSA-N;145.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367267;MM367267;CC#CCOCC(N)CC;HOOYEKHZMPINFW-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367268;MM367268;CC=CCC=CC(C)=CC;ZLQGIJIQWRYHBL-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367269;MM367269;CC#CCOCC(N)CN;PJOYCJAUDUPJHW-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367270;MM367270;CC=CCC=CC(C)=CF;JCPSKWXUWRUOEB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367271;MM367271;CC#CCOCC(N)CO;FFARPBHEJFHBAI-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367272;MM367272;CC=CCC=CC(F)=CF;XEZHMZRGFWHKQE-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367273;MM367273;CC#CCOCC(N)CF;QABHCXVTVDIBEL-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367274;MM367274;CC(C=CCC=NN)=CF;OFOHZBJDWQKSMD-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367275;MM367275;CC#CCOCC(O)CC;KGQYZHHPIALJMQ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367276;MM367276;CC=CCC=CC(C)=NN;BCPXRBKJBBEASY-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367277;MM367277;CC#CCOCC(O)CN;GURZOAUCTJETQI-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367278;MM367278;C=CC(=C)C(=C)C(C)O;GGMAZRXDIXSYOO-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367279;MM367279;CC#CCOCC(O)CO;QFYLLSCVPVIPBH-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367280;MM367280;CC=C(C)C=CNC=NC;QZHKFSHETODFNS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367281;MM367281;CC#CCOCC(O)CF;RAMPWLWYQIRREJ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367282;MM367282;CC=C(F)C=CNC=NC;DKQHXAZDESLSRE-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367283;MM367283;CC#CCOCC(F)CN;PETLJMHOWDNYAT-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367284;MM367284;CC=COC=CC(C)=CC;NWSXGYQVQWWMKL-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367285;MM367285;CC#CCOCC(F)CO;NBQWYXHWWFAYOZ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367286;MM367286;CC=C(C)C=COC=NO;SDNSBVRUXVIJLR-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367287;MM367287;CC#CCOCC(C)NC;CGGQLKSQIKRMSK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367288;MM367288;C=CCC(C)C(C)CO;KMJFROXILWXETA-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367289;MM367289;CC#CCOCC(C)OC;FAHYIJXIGMZAPX-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367290;MM367290;CC=C(F)C=COC=NO;WRFQWINVIBEEOX-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367291;MM367291;CC#CCCOC(C)CN;GIUVFSHVDCWAOM-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367292;MM367292;C#CC(F)C(C)=NOC;NVDJPQDTEVIRTN-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367293;MM367293;CC#CCCOC(C)CO;KUCLAGOWFVQLDX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367294;MM367294;ON=COC=CC(F)=CF;DIQCSMKPSLRWOU-UHFFFAOYSA-N;149.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367295;MM367295;CC#CCCOC(C)OC;GLLRVIGKDUWNAH-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367296;MM367296;CC(C=COC=CF)=NO;KJKGBZUZTCCTHT-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367297;MM367297;C=CC(C)CCCC#CC;QIOOHCDABKYBHH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367298;MM367298;CCC1(C)C(C)C1CO;AWFYSNBFKHORNI-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367299;MM367299;CC#CCCCC(C)C=O;HZFSXWRNAJWDAB-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367300;MM367300;CC(C=COC=NO)=NN;QHOTURCXIYVETG-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367301;MM367301;C=CC(N)CCCC#CC;CKHQEWPBLFDNQY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367302;MM367302;N=C1NC(CF)=CC1=O;YHMRUCSSSZJIQN-UHFFFAOYSA-N;128.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367303;MM367303;C=CC(C)CNCC#CC;DMZBREUTHDPNDZ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367304;MM367304;CC(C)C1CC(O)C1C;FUFPGFIWYHVYEF-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367305;MM367305;CC#CCNCC(C)C=O;CZXQENMMQPQFIF-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367306;MM367306;C#Cc1[nH]nc(N)c1N;VGEFRMTWCHSKMG-UHFFFAOYSA-N;122.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367307;MM367307;C=CC(N)CNCC#CC;URTRTXGWILCNBY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367308;MM367308;C=CC(CC)C(C)CO;KKTLEGKIALPSAK-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367309;MM367309;C=CC(C)COCC#CC;MUVQEAVGMMKKEB-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367310;MM367310;CC=NOC(C=O)CC;IHPHOAHUURTJCH-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367311;MM367311;CC#CCOCC(C)C=O;UVHWNYZJKMJFGS-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367312;MM367312;C#CC(F)C1(C#N)CN1;HLMJDIQRXIEIIG-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367313;MM367313;CC#CCOCC(C)C#N;GSXPRBLDRVFMOY-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367314;MM367314;C#CCC#CCC(C)(C)O;JGBAWWSEBHCNKZ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367315;MM367315;C=CC(N)COCC#CC;IKIVRVFFSSACPN-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367316;MM367316;CC(C=NN=CNN)=NO;LACXRKMCPLDAGY-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367317;MM367317;CC#CCOCC(O)C#N;QXOFTHNFTVSOOA-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367318;MM367318;C=CC1(O)CC(C#CC)C1;ZUXXMLBCAPQJOS-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367319;MM367319;C=CC(F)COCC#CC;DBKAAEFYULURDF-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367320;MM367320;CC#CCC=CC(C)=CC;RLMZVBRBJLQYPX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367321;MM367321;C=CC(C)NCCC#CC;KAZARLNJOUUWGN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367322;MM367322;CC#CCC=CC(C)=CF;HAKUQRDBQVXQKI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367323;MM367323;CC#CCCCN(C)C=N;BKWPZCJJIBEYMS-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367324;MM367324;CC#CCC=CC(F)=CC;FRINFILLBRSAHJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367325;MM367325;CC#CCCCN(C)C=O;QDRSJVZSLDPZLE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367326;MM367326;CC#CCC=CC(F)=CF;SAPWGAWKQKQBSG-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367327;MM367327;CC#CCCCN(N)C=N;YCEADMDCGNZIQI-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367328;MM367328;C=CCC(CO)CC(C)C;ICQLYAYYJVDAIX-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367329;MM367329;CC#CCCCN(O)C=N;ZWXMVUQLAGMALR-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367330;MM367330;CC=C(C)C=CC=CCC;CJKWRGUBANJCIC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367331;MM367331;CC#CCCNN(C)C=N;ZKYHXDJJQSLAHX-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367332;MM367332;CC(C=CC=CCN)=CF;QDMDXVGPFQOQHE-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367333;MM367333;CC#CCCON(C)C=O;JCHBCRJDEOIZLN-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367334;MM367334;CC(C=CC=CCF)=CF;JPTCAEWBRACYFB-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367335;MM367335;C#CC(C)CCCC#CC;DKRSBVUKIURRRK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367336;MM367336;CC=C(F)C=CC=CCN;XJEKLXPXQQCUTH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367337;MM367337;C#CC(C)CNCC#CC;FNZFHZKPNDMYOX-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367338;MM367338;CC=C(F)C=CC=CCO;KIOMZYFWFCWNJI-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367339;MM367339;C#CC(N)CNCC#CC;VNHFJSGZGZBSAZ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367340;MM367340;C#CC(C)COCC#CC;CUMUUVCTCIEXIU-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367341;MM367341;CCC=CC=CC(F)=CF;MURPHTIKXBTYPX-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367342;MM367342;C#CC(N)COCC#CC;JHQZAWMHVFJRGQ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367343;MM367343;NCC=CC=CC(F)=CF;YRUSPDDSXGKBTN-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367344;MM367344;C#CC(O)COCC#CC;KCUVNNKJZFLQMC-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367345;MM367345;CCC=CC=CC(C)=NN;TWWNSFWXGPRCII-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367346;MM367346;C#CC(F)COCC#CC;WKBTZCOADKJAND-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367347;MM367347;CC1(C)CC1C1(C)CC1O;SNOKENFNOUFAOV-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367348;MM367348;C#CC(C)NCCC#CC;RPHSWRZDSMEOOI-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367349;MM367349;CC(C=CC=CCN)=NO;GHFKOSBQYWONJY-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367350;MM367350;C=C(CC)CCCC#CC;TVUYHJXYXYDTNY-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367351;MM367351;CC=C(C)C=NN=CCC;XJPFIJCGQWYHGN-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367352;MM367352;C=C(CN)CCCC#CC;IEKHBDYPOBKBBF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367353;MM367353;CCC=NN=CC(C)=CN;HQXDIGZFUVFGCA-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367354;MM367354;C=C(CO)CCCC#CC;YLRYDIVQMKOFFJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367355;MM367355;CCC=NN=CC(C)=CF;VUOJOZUNVNUHEU-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367356;MM367356;CC#CCCCC(=O)CC;QIVUCLAESWHQJR-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367357;MM367357;CC=C(F)C=NN=CCF;UXBIZQIKECQEIJ-UHFFFAOYSA-N;146.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367358;MM367358;CC#CCCCC(=O)NC;YMFFDDUVDOIQIU-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367359;MM367359;CCC=NN=CC(F)=CN;ZUWMYPPTZMXDHY-UHFFFAOYSA-N;143.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367360;MM367360;COC=CC=C(C)C(C)O;CTHCPWGQSZWTKZ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367361;MM367361;NC=C(F)C=NN=CCO;PTIYTZGEVXTALO-UHFFFAOYSA-N;145.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367362;MM367362;CC#CCCCC(=O)NO;GRYFODPEDGDPFS-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367363;MM367363;CCC=NN=CC(F)=CF;VNZVZEPSZDKDAS-UHFFFAOYSA-N;146.14;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367364;MM367364;CC#CCCCC(=O)OC;NQNQUZWCUJXPGP-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367365;MM367365;OCC=NN=CC(F)=CF;AFNMLZILVCHCSX-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367366;MM367366;C=C(CC)CNCC#CC;IXIXSFQNHSACHX-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367367;MM367367;CC=C(C)C=NN=COC;QZTLGYDRXMLWEB-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367368;MM367368;C=C(CN)CNCC#CC;BZGIKSJXLDPMDR-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367369;MM367369;CC=C(F)C=NN=COC;MFIXZHODOFNQAH-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367370;MM367370;C=C(CN)COCC#CC;NLJKPLNHJONFDE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367371;MM367371;COC=NN=CC(F)=CN;NEPPFYATYBNSOG-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367372;MM367372;C=C(CF)COCC#CC;COEKISISMLOBMJ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367373;MM367373;COC=NN=CC(F)=CF;TZYUSLSBALTCPU-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367374;MM367374;CC#CCOCC(=O)CC;HWDXFGMKQUTLAX-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367375;MM367375;C=COC(C)=NNCC#N;OFNGKYPTQBKLRI-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367376;MM367376;CC#CCOCC(=O)CO;SDVWMTHMZNPBRF-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367377;MM367377;COCC(=O)C(=O)C(=N)N;QKDVOONUNYBFEC-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367378;MM367378;CC#CCOCC(=O)CF;OZKNXIHVJHVBQA-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367379;MM367379;CCC=NN=CC(C)=NO;NLYVCLBWVGDGCS-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367380;MM367380;CC#CCOCC(=N)NN;ZCEAORFKBAJHDH-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367381;MM367381;CC=C(C)C=CC=CC=O;RJRSPVSSHZRUTC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367382;MM367382;CC#CCOCC(=N)NO;PTFARKPZOJWYQV-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367383;MM367383;C=CC=CC=CC(C)=CF;KGGBZMGVMSHXAS-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367384;MM367384;CC#CCOCC(=O)NO;FCRAKURWCMTCFC-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367385;MM367385;CC(C=CC=CC=O)=CF;AHXNOWHUYFODJT-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367386;MM367386;CC#CCOCC(=O)OC;XNUQCZPNVMPVPJ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367387;MM367387;CC(C=CC=CC#N)=CF;GKJRXGIXBFRSOK-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367388;MM367388;CC#CCCNC(=O)NO;MRUWVQNYJZJESO-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367389;MM367389;C=CC=CC=CC(F)=CC;HKLBDRDLNVTXPA-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367390;MM367390;CC#CCNNC(=N)CO;UEWBOLODOIXKCM-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367391;MM367391;CC=C(F)C=CC=CC=O;PZKRTJWIQXDOKG-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367392;MM367392;CC(=CC=CC#N)C(C)O;NNESTFAJXRXOIZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367393;MM367393;CC=C(F)C=CC=CC#N;MBKBIBLCEYBDDC-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367394;MM367394;CC#CCNNC(=O)CF;RFZCIIYTXKUKFW-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367395;MM367395;C=CC=CC=CC(F)=CF;ZBUKUJWTZKRGBD-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367396;MM367396;C#CC=CC=C(C)C(C)O;IUXJBUUOKSRVTE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367397;MM367397;C=NN=CC=CC(C)=CF;OCJBREURWFHQQT-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367398;MM367398;CC#CCONC(=N)CO;CJBYPDMLVIDWAC-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367399;MM367399;C=NN=CC=CC(C)=NN;SPBAMCPASDLQSF-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367400;MM367400;O=c1oc(O)coc1=NO;XWRJEUQQRWOBLE-UHFFFAOYSA-N;145.07;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367401;MM367401;CC=C(C)C=NN=CC#N;CXJPGYHPVMTMIU-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367402;MM367402;CC#CCONC(=N)NC;UGGZTNBBYSXIBK-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367403;MM367403;C=CC=NN=CC(C)=CN;TZUQYAWAMVLDCB-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367404;MM367404;CC#CCONC(=O)NC;LMAIMSXYZYXZDP-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367405;MM367405;C=C(CO)OCCC#CC;NGTDCSTZFUHFKS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367406;MM367406;CC(C=NN=CC#N)=CN;YOHWKEXPXPONOB-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367407;MM367407;CC#CCCOC(=O)CO;FCTWECWJFMQROC-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367408;MM367408;C=CC=NN=CC(C)=CF;OAMPWEKWNSEGFQ-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367409;MM367409;CC#CCCOC(=O)OC;HKEASNIWZBYWSE-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367410;MM367410;CC(C=NN=CC#N)=CF;WGYWQRCADOJPPL-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367411;MM367411;C=CC(=C)CCCC#CC;NTFXMCMUXPUIAR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367412;MM367412;C=CC=NN=CC(F)=CC;XSHMADVXKXITBJ-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367413;MM367413;C=C(C=O)CCCC#CC;YDXBZKBFOICXGH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367414;MM367414;CC=C(F)C=NN=CC#N;POHUPPVQBYWWBY-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367415;MM367415;C=CC=NN=CC(F)=CN;BFSVHQUKNXPKOZ-UHFFFAOYSA-N;141.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367416;MM367416;C=C(C#N)CCCC#CC;BLPWCDOQMYJPTE-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367417;MM367417;N#CC=NN=CC(F)=CN;CDUAHLIGIOTXNR-UHFFFAOYSA-N;140.12;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367418;MM367418;C=CC(=O)CCCC#CC;KHJZNDLPZZIRQQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367419;MM367419;C=CC=NN=CC(F)=CF;PNPNABXSKVUSKN-UHFFFAOYSA-N;144.12;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367420;MM367420;CC#CCCCC(=O)C=O;XSLFKLCLOAAWEK-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367421;MM367421;O=CC=NN=CC(F)=CF;IHSIJCVJFBDQAV-UHFFFAOYSA-N;146.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367422;MM367422;CC#CCCCC(=O)C#N;UHMNCSCBDUXUSA-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367423;MM367423;CC(=O)c1nc(=N)cco1;JONQQRDZUBVBBO-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367424;MM367424;C=C(C#N)CNCC#CC;QMERPGVAAUFNTP-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367425;MM367425;CC(C=O)CCN(C)C=O;KNERQQZCQGNFIJ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367426;MM367426;CC#CCOCC(=O)C#N;LBFVTUZBYXSOLM-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367427;MM367427;C#CC=CC=CC(C)=CC;TXOSTYOZLPICHS-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367428;MM367428;C=CC(=N)NCCC#CC;SAYKIVSNJLUDAF-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367429;MM367429;C#CC=CC=CC(C)=CF;LJEBSBIZSXWGGH-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367430;MM367430;CC#CCCN=C(N)C=O;CRQJHEAAKRISMK-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367431;MM367431;C#CC=CC=CC(F)=CC;XSNHNTSNZNFLST-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367432;MM367432;C=C(C(C)O)C(C)C#CC;BTMSFDOQVGFWBF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367433;MM367433;C#CC=CC=CC(F)=CF;USNVMBVAFRMBLB-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367434;MM367434;CC#CCCNC(=O)C=O;CDOJFECGODVGNE-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367435;MM367435;C#CC=NN=CC(F)=CC;CCTLOMOUKJABCL-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367436;MM367436;C=C(CC=O)C1(C)CN1C;PPJGQSNLBPAAER-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367437;MM367437;C#CC=NN=CC(F)=CN;LQJKNCYBGAASAS-UHFFFAOYSA-N;139.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367438;MM367438;O=CCN(CCF)CCF;RNHFBQKTUOJMPL-UHFFFAOYSA-N;151.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367439;MM367439;C#CC=NN=CC(F)=CF;ASRYICZTUDKNBU-UHFFFAOYSA-N;142.11;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367440;MM367440;CC#CCON=C(N)C=O;TVFBUEWUTDLWQS-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367441;MM367441;CCOC(=CF)C(=O)O;WVIJXOGMRWIYBB-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367442;MM367442;C#CC=NN=CC(C)=NO;YLPOHPZJDIDVCN-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367443;MM367443;C#CC(=C)CCCC#CC;OBTFMJNIXRYETG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367444;MM367444;CC=C(C)C=CC#CCC;XWEJLRSJRVTCBG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367445;MM367445;C#CC(=O)CCCC#CC;NVMNQIZARVIEAP-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367446;MM367446;CC=C(C)C=CC#CCN;XOFLDAILZFDRLA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367447;MM367447;C#CC(=O)COCC#CC;IQKZEYZDBMFOED-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367448;MM367448;CC=C(C)C=CC#CCO;GPEJBMZCVIMSDP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367449;MM367449;C#CC(=N)NCCC#CC;UZWOBZGMVWPILG-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367450;MM367450;CC=C(C)C=CC#CCF;IALWWIRLEJWROI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367451;MM367451;C#CC(=O)NCCC#CC;GIPXKGWSXKVOCN-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367452;MM367452;CCC#CC=CC(C)=CF;HGVVGMIKTJBVBE-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367453;MM367453;C#CC(=N)NNCC#CC;UZSVSNHLDLJHAJ-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367454;MM367454;CC(C=CC#CCN)=CF;GFHIBCGSVCQMDT-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367455;MM367455;C#CC(=C)OCCC#CC;QYRIZOUTJJQQHE-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367456;MM367456;CC(C=CC#CCO)=CF;XCIGEMPSELQMTG-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367457;MM367457;C#CC(=O)OCCC#CC;LJPYMOXIPNWIPS-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367458;MM367458;CC(C=CC#CCF)=CF;SUQAINXHXGJPNM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367459;MM367459;CCC=CCCC(C)CC;BDCXETIMUKBNKE-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367460;MM367460;CC=C(F)C=CC#CCC;OWRAICDIWZCAET-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367461;MM367461;CCC(C)CCC=CCN;VLRBONNTZFDDIC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367462;MM367462;CC=C(F)C=CC#CCN;MGNLOBUAPFYOTK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367463;MM367463;CCC(C)CCC=CCO;UARCUIDGLQOLEI-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367464;MM367464;CCC#CC=CC(F)=CF;LNMSQIRFNKZYIV-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367465;MM367465;CCC(C)CCC=CCF;YZJSURQVVIJTPK-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367466;MM367466;NCC#CC=CC(F)=CF;KKFJTYJLROHSGI-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367467;MM367467;CCC=CCCC(C)CN;UFADEYPQKMXBFC-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367468;MM367468;OCC#CC=CC(F)=CF;WNIVHEQRELRXEL-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367469;MM367469;CC(CN)CCC=CCO;DDRSTUGDJMBVSA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367470;MM367470;CCC#CC=CC(C)=NN;PEOWCDUYOMPQAG-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367471;MM367471;CC(C)N(CC=O)CCF;YATVPISVZCZECE-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367472;MM367472;CCC#CC=CC(C)=NO;VHSOYZQCNIKZPV-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367473;MM367473;CCC=CCCC(C)CF;WGTLAZZTSOXILC-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367474;MM367474;CC(C=CC#CCF)=NO;IQXJPMSOGAYBBA-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367475;MM367475;CC(CF)CCC=CCN;SQLBXLSUFDSLPI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367476;MM367476;C=CC#CC=CC(C)=CC;GPPGKAYHXKAOIF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367477;MM367477;CCC=CCCC(N)CC;WMSGCCYBYLRWCC-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367478;MM367478;CC=C(C)C=CC#CC=O;IBGJJEUSAOEOIH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367479;MM367479;CCC(N)CCC=CCN;IBSFSUOZENCKOQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367480;MM367480;CC=C(C)C=CC#CC#N;JCGVDMIXDZXJIE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367481;MM367481;CCC(N)CCC=CCO;ONPDYBACMIMVLF-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367482;MM367482;C=CC#CC=CC(C)=CF;SZKYUSZLUPGBHX-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367483;MM367483;CCC=CCCC(N)CN;VOQCNRJBUZLLBO-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367484;MM367484;CC(C=CC#CC=O)=CF;IZYFYYZTHWZUDM-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367485;MM367485;NCC(N)CCC=CCO;VINGOQFCBPXMNV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367486;MM367486;CCC=CCCC(N)CO;MFZZBOJNRJJUDS-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367487;MM367487;CC(C=CC#CC#N)=CF;BODGNCUWOBYSIJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367488;MM367488;NCC=CCCC(N)CO;NPDHBIGTFOILNO-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367489;MM367489;C=CC#CC=CC(F)=CC;SWQFLDOFFQVFIJ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367490;MM367490;CCC=CCCC(N)CF;QCUMEDFGAIICQA-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367491;MM367491;CC=C(F)C=CC#CC#N;DZHAYUKWIMAKPR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367492;MM367492;CCOC1CN(CC=O)C1;KDVHAEIMQTXFEL-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367493;MM367493;C=CC#CC=CC(F)=CF;JVHPLSYPGPHCSP-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367494;MM367494;CCC=CCCC(O)CN;CTIDZVARZVLEEB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367495;MM367495;N#CC#CC=CC(F)=CF;REYHEXTXYANPSL-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367496;MM367496;NCC=CCCC(O)CN;KXGHNKVSFMZKOV-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367497;MM367497;C=CC#CC=CC(C)=NN;SOHCQUVBIZNLKK-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367498;MM367498;NCC(O)CCC=CCF;ZFFMAZUBCPIBBJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367499;MM367499;C=CC#CC=CC(C)=NO;XFQIXSCASPJMFL-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367500;MM367500;CCC=CCCC(O)CO;AAEGSJOPGWQPNN-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367501;MM367501;CC(C=CC#CC#N)=NO;SXRZNBVCWNHTFR-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367502;MM367502;NCC=CCCC(O)CO;OVRAORFTLUYTLW-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367503;MM367503;C#CC#CC=CC(C)=CC;LBAXWZPEVUXYHV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367504;MM367504;OCC=CCCC(O)CO;MVMRFAVQTBRTOO-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367505;MM367505;C#CC#CC=CC(C)=CF;VXVXPLQEHMIPEL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367506;MM367506;OCC(O)CCC=CCF;YGDPDPFXNTYCIZ-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367507;MM367507;C#CC#CC=CC(F)=CC;LDKLPHNIZORLJJ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367508;MM367508;CCC=CCCC(O)CF;URCBJEFKWRIJGA-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367509;MM367509;C#CC#CC=CC(F)=CF;JRXWECCOYTXVPD-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367510;MM367510;CCC=CCCC(F)CC;YNLGQPLDGZDGIN-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367511;MM367511;C#CC#CC=CC(C)=NN;BCVXCIFDBOBPIQ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367512;MM367512;CCC(F)CCC=CCO;PXYJTCVLJNLJHH-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367513;MM367513;C#CC#CC=CC(C)=NO;VESHVRDNNNAFFB-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367514;MM367514;CCC=CCCC(F)CN;LAIOYAOVLUUOSE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367515;MM367515;CCCCC#CC(C)CC;OOQNRNLICSIMAG-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367516;MM367516;NCC=CCCC(F)CN;LYFJIECWWBDQBK-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367517;MM367517;CCCCC#CC(C)CN;UMTGBPYDIIBMAB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367518;MM367518;CCC=CCCC(F)CO;NDGMNOHGBDVSTM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367519;MM367519;CC(C#CCCCF)CN;VRSJNROEERRFNV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367520;MM367520;CCC=CCCC(F)CF;FBAJEMILQZYBNS-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367521;MM367521;CCCCC#CC(C)CO;BIATVQBKOYRIRL-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367522;MM367522;CCC(C)CCC=COC;WBBVHXKEJGMKBW-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367523;MM367523;CC(C#CCCCO)CO;KGBJMGZNROKCJM-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367524;MM367524;COC=CCCC(C)CN;RUIUNBRWOALSGO-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367525;MM367525;CCCCC#CC(C)CF;WTFZXZRCDKADHC-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367526;MM367526;CCC(N)CCC=COC;DTDSHTVVERFTOK-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367527;MM367527;CC(C#CCCCF)CF;NMUJWRRQDGNYTD-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367528;MM367528;COC=CCCC(N)CN;HAWUREGNSNDDCO-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367529;MM367529;CCCCC#CC(N)CC;QXTVVZOMDXPOEA-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367530;MM367530;CNN=CCCC(C)CN;UFYQWNZKZRQMCQ-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367531;MM367531;CCCCC#CC(N)CN;XELKVPIWWVKQGW-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367532;MM367532;CCC(N)CCC=NNC;LSQRDRPXSOUXEA-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367533;MM367533;NCC(N)C#CCCCF;RXYLCXCUAFJYMX-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367534;MM367534;C#CC(C)(CO)CCCC;QSZZWCPNCSLUBM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367535;MM367535;CCCCC#CC(N)CO;NPNPAGAEUKWRBR-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367536;MM367536;CCC(C)CCC=NOC;JAZIQHNYUYBMFM-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367537;MM367537;CCCCC#CC(O)CC;AKAXZYAXOMPQRG-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367538;MM367538;CON=CCCC(C)CN;NWQUIYJEFYZODK-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367539;MM367539;CCC(O)C#CCCCF;PDNCEWIZTVJSEG-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367540;MM367540;CON=CCCC(C)CF;QDFKROADXZDWIV-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367541;MM367541;NCC(O)C#CCCCF;NLCJEMKXIUGMEC-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367542;MM367542;CCC(N)CCC=NOC;ZTYPJGZVNKJHQK-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367543;MM367543;CCCCC#CC(O)CO;QCXLWITVEXGNKM-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367544;MM367544;CON=CCCC(N)CO;ZVBRCOGTMDKBRN-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367545;MM367545;OC(C#CCCCF)CF;VAFAIHLLTLACCF-UHFFFAOYSA-N;148.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367546;MM367546;C=CC(=C)CCC(O)C=C;WSYGPZAYPDKVCH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367547;MM367547;CCCCC#CC(F)CN;SXUIUBQOZVASQP-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367548;MM367548;CON=CCCC(O)CN;VHXJNIWYUQTTQR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367549;MM367549;NCCCC#CC(F)CN;YZSDKWDLPQGEST-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367550;MM367550;C=CC(O)CCC(=C)C=O;BZHRXHNNTQIKCJ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367551;MM367551;CNCCC#CC(C)CF;FGTLATBLYUBPGO-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367552;MM367552;CCC(F)CCC=NOC;MLWBHVVPWULVPW-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367553;MM367553;CCC(F)C#CCCNC;IAAXFFKYPVSCPH-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367554;MM367554;CCC=CCCC(C)NC;WXTDXEVAWJHSQU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367555;MM367555;COCCC#CC(O)CF;AUXTUOCJWLXXAA-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367556;MM367556;CNC(C)CCC=CCO;HEIKARCMGLXHQY-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367557;MM367557;CCNCC#CC(N)CF;BNBHYNPPAZUWEX-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367558;MM367558;CNC(C)CCC=COC;YXPZOEQRSXFYKT-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367559;MM367559;CCOCC#CC(C)CO;LAOYKLIWRFKKRU-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367560;MM367560;CNC(C)CCC=NOC;UYGIJDLEOIEDSH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367561;MM367561;CCOCC#CC(N)CC;SFBJKGJPNKOKMY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367562;MM367562;CCC=CCCC(C)OC;GIPSYLDPURXDLB-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367563;MM367563;CCOCC#CC(N)CN;ZQUHVYNXTLEDOU-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367564;MM367564;CCN=CNCC(N)CC;VRURWUIKGNKVIW-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367565;MM367565;CCOCC#CC(O)CC;FPLJDPTUTXNFHB-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367566;MM367566;CCN=CNCC(N)CF;QUESKXXEFNWJNZ-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367567;MM367567;CCOCC#CC(O)CN;NNTLRSODPZBFPV-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367568;MM367568;CCN=CNCC(F)CN;BJAXASWQQJYYNN-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367569;MM367569;CCOCC#CC(O)CO;SEJZAMOEXGSGKL-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367570;MM367570;CCC(C)CN=CNNC;HGLFHTLDUKNYKC-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367571;MM367571;CCCCC#CC(C)NC;ONKWKTLDXRBLLI-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367572;MM367572;CCC(N)CN=CNNC;CFVCPPMPQLWRMQ-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367573;MM367573;CNN=CNCC(N)CN;LRMNXSNSHJQKKU-UHFFFAOYSA-N;145.21;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367574;MM367574;CNC(C)C#CCCCF;PJYSYTSDRSUMNY-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367575;MM367575;CNN=CNCC(N)CO;XYJVYPCQJXGTOL-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367576;MM367576;CCCCC#CC(C)OC;RBAXJEOVFXRIRZ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367577;MM367577;CNN=CNCC(N)CF;ZZYGOMJKHXTYET-UHFFFAOYSA-N;148.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367578;MM367578;CCOCC#CC(C)OC;YBTASMBREUZPIZ-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367579;MM367579;CCC(O)CN=CNNC;CQKWKNAASPBHKA-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367580;MM367580;C=CCCC#CC(C)CC;SRLYJINVUGMXNS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367581;MM367581;CNN=CNCC(O)CN;DWPSOBUCKYRLIF-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367582;MM367582;CCC(C)C#CCCC#N;VGJRWZDAYCTFPO-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367583;MM367583;CON=CNCC(C)CN;ZNVGYBCRHIWTAC-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367584;MM367584;CC(C#CCCC=O)CO;BINLFHRLXOOPBC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367585;MM367585;CCC(N)CNN=CCN;RIQDNNWGPINDKQ-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367586;MM367586;CC(C#CCCC=O)CF;MSFFXZIVRCSXFL-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367587;MM367587;CCC(N)CNN=CCO;YHFVXIBYVYLDCD-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367588;MM367588;C=CCCC#CC(N)CC;RCDAURUZXOSIQZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367589;MM367589;CCC=NNCC(N)CN;QYYOCCZSQNRSPE-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367590;MM367590;N#CCCC#CC(O)CF;JQCBBMHIYKDEJS-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367591;MM367591;NCC(N)CNN=CCO;BCTDTPQDHBDDQY-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367592;MM367592;C=CCCC#CC(F)CC;OQTSCLCMXCZBMI-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367593;MM367593;NCC=NNCC(N)CO;OKNABVHHGGMPNI-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367594;MM367594;CCC(F)C#CCCC=O;CYKDKAYZQAODQL-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367595;MM367595;NC(CO)CNN=CCO;SNFQFXDAIZPGSB-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367596;MM367596;N#CCCC#CC(F)CO;KONABKYOCYTHIJ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367597;MM367597;NCC=NNCC(O)CN;AFBVCUUWCQWJMW-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367598;MM367598;N#CCCC#CC(F)CF;SCCOERWOADFOGR-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367599;MM367599;NCC(O)CNN=CCO;DYUBBSHJVLORHG-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367600;MM367600;CCC(C)C#CCNC=N;YGVXXSBPSZREIR-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367601;MM367601;NCC(O)CNN=CCF;NNUOJDNASKNEBM-UHFFFAOYSA-N;149.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367602;MM367602;CCC(C)C#CCNC=O;PCQISMGZDKSQRF-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367603;MM367603;C=CC(=C)C=CC(O)CC;IBNPZGHKCRHFGY-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367604;MM367604;CC(C#CCNC=N)CF;LWAJIMSHSRJORZ-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367605;MM367605;C=C(C=O)C=CC(O)CC;SLAFQRRMYIRSLY-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367606;MM367606;CCC(N)C#CCNC=N;LZHQLRNIWIHGPW-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367607;MM367607;COC1=NNC(C)(C#N)C1;ZQMDOMYYRIHSCR-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367608;MM367608;CCC(O)C#CCNC=N;UZNJFUNBAFFDFF-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367609;MM367609;NCC=NNCC(F)CN;MVDOPQNUAYSTBY-UHFFFAOYSA-N;148.19;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367610;MM367610;O=CNCC#CC(O)CO;MHMHKMMQKWIVAA-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367611;MM367611;NCC(F)CNN=CCO;SYTHQHVRLULMDW-UHFFFAOYSA-N;149.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367612;MM367612;N=CNCC#CC(O)CF;ZZSGRBOXAUUZSL-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367613;MM367613;NCC(F)CNN=CCF;UEJLDJCMXKDCQW-UHFFFAOYSA-N;151.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367614;MM367614;O=CNCC#CC(O)CF;FWQKPTKUCJLDLH-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367615;MM367615;C=C(C#N)CCC1(O)CC1;SBBPDDJYPLNPPZ-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367616;MM367616;N=CNCC#CC(F)CN;RILPXRJEQGLVSG-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367617;MM367617;COC=NNCC(O)CN;CHXOYPLUUULUNE-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367618;MM367618;N=CNCC#CC(F)CO;VSGXORZDHFYPKG-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367619;MM367619;C#CC(=CF)CCC(C)O;SHLNZHFLVMPIGD-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367620;MM367620;C=NNCC#CC(C)CN;PDUORNNIUZMHLU-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367621;MM367621;C#CC(=C)C(=C)C(C)CO;VEKWFUVHEVGABC-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367622;MM367622;CCC(N)C#CCOC=O;UQBPWOLIFOOLNN-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367623;MM367623;COC(=O)C(C)C(C)=NN;OWDCTABBVLZONU-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367624;MM367624;C=COCC#CC(N)CN;PIHSSAPMPUMCDQ-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367625;MM367625;CC(CN)COC=CCN;XMSWWFDZAURMME-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367626;MM367626;C=COCC#CC(O)CO;JOJIOJDKCHGNSW-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367627;MM367627;CC(CN)COC=CCO;PVZCHRMANUIKGN-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367628;MM367628;C=COCC#CC(O)CF;IKDJWEZWYKVJAF-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367629;MM367629;NCC=COCC(N)CN;VYPCPIRFTVLFKQ-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367630;MM367630;C=COCC#CC(F)CO;WJJFVJAOYPZLQN-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367631;MM367631;NCC(N)COC=CCO;DGDBVPGXJZJUCW-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367632;MM367632;C=NOCC#CC(N)CN;HHSNMTWXBIISIS-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367633;MM367633;NCC=COCC(N)CO;JUWRPAQLEDVVFN-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367634;MM367634;CCC(O)CC=C(C)C#N;WLIGBJPHDQHSQY-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367635;MM367635;NC(CO)COC=CCO;IBSKTHBJUIQSPI-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367636;MM367636;C=CCCC#CC(C)NC;QQIQWGVZYFFGRQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367637;MM367637;CCC=COCC(N)CF;MSNCZGMTHTYUJN-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367638;MM367638;CNC(C)C#CCCC=O;ZTUSYIHBCCQSHC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367639;MM367639;CCC=COCC(O)CC;PADUKHFOHXSRKB-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367640;MM367640;COC(C)C#CCCC#N;IFFDUHPUIUMZOR-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367641;MM367641;CCC(O)COC=CCN;RATIYCGIBDCZGP-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367642;MM367642;C=COCC#CC(C)OC;WXHPOWITGCWUOF-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367643;MM367643;CCC(O)COC=CCO;MPOKHQSYXVKBBR-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367644;MM367644;C=NOCC#CC(C)OC;WHNOSOUSXCHIKU-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367645;MM367645;NCC=COCC(O)CN;XFTCEINIJSDIGV-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367646;MM367646;C#CCCC#CC(C)CC;QYLKHPDJSIBTNU-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367647;MM367647;NCC(O)COC=CCO;MFHKXFZOBRFECW-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367648;MM367648;C#CCCC#CC(C)CN;PCCMSYMHLIICDH-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367649;MM367649;OCC=COCC(O)CO;GWBSDUKWVLIZEH-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367650;MM367650;C#CCCC#CC(C)CO;LVGXQJDNCOOBSH-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367651;MM367651;OCC=COCC(O)CF;HJOOENWYLSFNKG-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367652;MM367652;C#CCCC#CC(C)CF;JSIMHBOINBURNZ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367653;MM367653;NCC=COCC(F)CN;WIEGHGTXVDXAPW-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367654;MM367654;C#CCCC#CC(N)CC;JEQRDQUMJLQMHC-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367655;MM367655;OCC=COCC(F)CO;GUINQGFEOUODMR-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367656;MM367656;C#CCCC#CC(O)CC;HEMBFBWEYFROHZ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367657;MM367657;OCC(F)COC=CCF;HFJJILQEZWKHPE-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367658;MM367658;C#CCCC#CC(O)CF;BMFHLBHLPNMBIZ-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367659;MM367659;CCC=COCC(F)CF;MRBMUHHZHHRKCO-UHFFFAOYSA-N;150.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367660;MM367660;C#CCCC#CC(F)CC;KXVHBXKJLBJDLB-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367661;MM367661;COC=COCC(C)CO;RVEJMSNNOBSVKZ-UHFFFAOYSA-N;146.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367662;MM367662;C#CCCC#CC(C)NC;HAEIXGHKXNBEJP-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367663;MM367663;CCC(N)COC=COC;LBYGPJQXRDHYGO-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367664;MM367664;C#CCCC#CC(C)OC;SXIHELBWZSAUSJ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367665;MM367665;COC=COCC(N)CO;QJQVYVOKWBXIBO-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367666;MM367666;C=CC(C)C#CCCCC;BDDAIGMEGHEHMD-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367667;MM367667;CCC(O)COC=COC;KUBGWYHRNZLWMF-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367668;MM367668;CC(C#N)C#CCCCO;ANMYKOKDTAURJW-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367669;MM367669;COC=COCC(O)CN;UXTHCDXKAWSZBQ-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367670;MM367670;C=CC(N)C#CCCCC;NHZSEPBIEDIEOJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367671;MM367671;CCC(F)COC=COC;XUNYXIBWQWFVNN-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367672;MM367672;C=CC(N)C#CCCCF;UROCADVXNGWUNL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367673;MM367673;CNN=COCC(C)CN;UIBBMBFTLQVTLD-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367674;MM367674;C=CC(O)C#CCCCF;PNVMUQHDQGIAHJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367675;MM367675;C=C(C=O)C1(C)CC1CO;AIIDOJLHQIWRIQ-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367676;MM367676;N#CC(O)C#CCCCO;FECZOEWTGZLPAY-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367677;MM367677;CCC(N)COC=NNC;XTWNOEXXETZPMR-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367678;MM367678;C=CC(C)C#CCCNC;IOBGOFBFTFYTMM-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367679;MM367679;CNN=COCC(N)CO;LBFMLCJDDPSXGR-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367680;MM367680;COCCC#CC(C)C#N;YOEPFZJYOJRLFN-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367681;MM367681;CNN=COCC(O)CN;DCOGPWQBWUVAKB-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367682;MM367682;COCCC#CC(O)C=O;JYABOAXILDYVKP-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367683;MM367683;CCNN=CCC(C)C=O;NXYNIKLIEZHNFG-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367684;MM367684;COCCC#CC(F)C=O;HGTNCZZXHRXHDB-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367685;MM367685;CCC(C)COC=NOC;ILPQTXZMBXBCIX-UHFFFAOYSA-N;145.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367686;MM367686;COCCC#CC(F)C#N;KOPGTDBUBBDPQD-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367687;MM367687;CON=COCC(C)CF;OYTWJSQCYOMCNH-UHFFFAOYSA-N;149.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367688;MM367688;CCNCC#CC(O)C#N;FTZPEBZXMLSGTE-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367689;MM367689;CON=COCC(N)CN;ZKAAGNNBPBUUOI-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367690;MM367690;CCNCC#CC(F)C=O;GBWATNBCJCFRES-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367691;MM367691;CON=COCC(N)CO;VSBJLDQBIZWMTB-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367692;MM367692;CCOCC#CC(C)C#N;UMOWJMRLYWQVIP-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367693;MM367693;CON=COCC(O)CN;ZXZGTQUXEVDFLC-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367694;MM367694;C=CC(O)C#CCOCC;LQBVIRAYYKNGDC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367695;MM367695;C=C(CC)OC=NNC=N;JGKGMJUUYZFZIG-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367696;MM367696;CCOCC#CC(F)C=O;UUADIFUQRPDUDX-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367697;MM367697;CON=COCC(O)CF;GMXZZQMTHFNHCD-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367698;MM367698;CCOCC#CC(F)C#N;QLVLEFASOWPMPE-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367699;MM367699;C=CC(C)C#CCCC=O;LBSKMQRJOJXNIR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367700;MM367700;CCC(F)COC=NOC;NXWXCDGDTPGBPU-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367701;MM367701;C=CCCC#CC(C)C=O;IKRJQRMSNFBUBB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367702;MM367702;C=COC=NNC(C)=NC;VTHPRCHIYWCJTH-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367703;MM367703;C=CCCC#CC(C)C#N;XTJGABYTYIKOFH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367704;MM367704;CNC(C)COC=COC;QWUYYGIRRBJQFS-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367705;MM367705;CC(C#CCCC#N)C=O;YINAJFHPJJUOFS-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367706;MM367706;CNN=COCC(C)NC;ARWBRZIJASJVOE-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367707;MM367707;CC(C#N)C#CCCC#N;NKCOJSWASXABAB-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367708;MM367708;COC(C)COC=CCO;IKOFGMXSCCWDDR-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367709;MM367709;C=CCCC#CC(O)C=C;XLROXZARUUVBMI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367710;MM367710;COC=COCC(C)OC;QLTXVHGTABCQAN-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367711;MM367711;C=CC(O)C#CCCC=O;PFDHZKRFGKHSKN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367712;MM367712;CCC=NOCC(C)CC;AUVYTKBQBXSRAZ-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367713;MM367713;C=CCCC#CC(O)C#N;YUXXQWBAKMYQJZ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367714;MM367714;CCC(C)CON=CCN;BLJQVBZLRVJEKT-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367715;MM367715;C=CC(F)C#CCCC#N;XMKHLBSGPQLUCJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367716;MM367716;CC=C(C)OC=NNC=N;JBOBEABMGVTUNC-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367717;MM367717;C=CCCC#CC(F)C#N;LXHNULXPLQDUAI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367718;MM367718;CCC=NOCC(C)CN;ZGNRTTXDRDRAOY-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367719;MM367719;O=CCCC#CC(F)C=O;JMHIMNPMKFNVPX-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367720;MM367720;C=CC1(O)CC1CCC=O;KEAQXCRYLGIGEB-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367721;MM367721;N#CCCC#CC(F)C#N;IQAXMTUQCUKICI-UHFFFAOYSA-N;136.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367722;MM367722;CC(CO)CON=CCN;JFZHJAHOTXSHQT-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367723;MM367723;C=CC(N)C#CCNC=N;LEQIIYGYSWQXOD-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367724;MM367724;C#CCC(CO)CCCC;URULHGMRATTZEQ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367725;MM367725;NC=NCC#CC(O)C=O;RGYFNFIIARYHNY-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367726;MM367726;CCC=NOCC(C)CF;HKYSZSOPQUFCNL-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367727;MM367727;N#CC(O)C#CCNC=N;ILXSIDNVTSMOFG-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367728;MM367728;COC(CCF)=NNC=N;WQFXIVNPJMWQTO-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367729;MM367729;N#CC(O)C#CCNC=O;DLTWQRXIHHLTLG-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367730;MM367730;CCC=NOCC(N)CC;OXWZNTXRNFXENO-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367731;MM367731;CCC(N)CON=CCO;DACAZZISQFSFMM-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367732;MM367732;C=CC(F)C#CCNC=N;DIGNAJHBCRCLLM-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367733;MM367733;NCC(N)CON=CCO;RIMRHOPEPJHRQW-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367734;MM367734;N=CNCC#CC(F)C=O;FMXFWPHFZYCYFS-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367735;MM367735;CCC=NOCC(N)CO;KQZKSTKIUZQPFR-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367736;MM367736;O=CNCC#CC(F)C=O;DILUYEZIFNJFJY-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367737;MM367737;NCC=NOCC(N)CO;KAQGGQZAAWNRON-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367738;MM367738;N#CC(F)C#CCNC=O;SFQRVEBBFPYHSL-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367739;MM367739;NC(CO)CON=CCO;WLFSIRIAHFLZQC-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367740;MM367740;C#CC1(C)CN=C(NN)O1;XVWKYIOEBOIQLC-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367741;MM367741;CCC(=NNC=N)OC=O;ZITZWXOWELMKDP-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367742;MM367742;C=COCC#CC(C)C#N;XMRQJGJTZYUOOF-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367743;MM367743;CCC=NOCC(O)CN;UQJIXSQTBVGBQZ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367744;MM367744;CC(C#CCOC=O)C=O;USQCLKMVULCBSO-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367745;MM367745;NCC=NOCC(O)CN;MWIIQOGKVSRBJM-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367746;MM367746;CC(C#N)C#CCOC=O;QPFZDPUERBDSEZ-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367747;MM367747;NCC=NOCC(O)CO;MGTYUGKGXNFUPA-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367748;MM367748;N#CC(O)C#CCOC=O;XQPTXZKVRMVCRL-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367749;MM367749;C#CC(C)CC1C(C)C1O;OFWVXJBAGPDXPF-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367750;MM367750;C=COCC#CC(F)C=O;KJUIDQDMGRHPSC-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367751;MM367751;C=C1C(CC)C=C(C)C1O;NFLBYFGZDNYTTO-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367752;MM367752;C=C(CC)CC(CC)CO;AITZBUXGUSXYBS-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367753;MM367753;CCC=NOCC(F)CC;VAHNCMUCJKGWCV-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367754;MM367754;C=CC(N)C#CCON=C;HSJLCVMLPAWTGD-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367755;MM367755;C#CC(C=O)C=NNCC;WLCCNZOJWCMNRT-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367756;MM367756;C=NOCC#CC(O)C#N;GHBPMZWTDCEHGU-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367757;MM367757;NCC=NOCC(F)CN;ZWYJUUUXLHTZTQ-UHFFFAOYSA-N;149.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367758;MM367758;C=CC(F)C#CCON=C;ILEMRZKGIYGZMX-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367759;MM367759;C#CCCC#CC(C)C=C;BJKDNAKFHJXFMT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367760;MM367760;O=CCC1=CCN(C=O)C1;ANYQJPXNIHRYEB-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367761;MM367761;C#CCCC#CC(C)C=O;TUACLNSALCATLV-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367762;MM367762;CCC(C)CON=COC;NWWCSDMINGWXEH-UHFFFAOYSA-N;145.2;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367763;MM367763;C#CCCC#CC(C)C#N;DPSYRTDOIWASLB-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367764;MM367764;COC=NOCC(C)CF;SXBZBXRBLPHOAP-UHFFFAOYSA-N;149.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367765;MM367765;C#CCCC#CC(N)C=C;MUNKPIKNOONFOB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367766;MM367766;COC=NOCC(N)CN;LXHHDPLPMJOJFW-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367767;MM367767;C#CCCC#CC(O)C=C;DDRJSZMWDXWEGJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367768;MM367768;COC=NOCC(N)CO;WCWICVGDNDUBEN-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367769;MM367769;C#CCCC#CC(O)C#N;AUFKQZMJKJLFNT-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367770;MM367770;COC=NOCC(O)CN;CPISBYOQTZWGMP-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367771;MM367771;C#CCCC#CC(F)C=C;OXPDQOHHOYHCAZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367772;MM367772;CC1C(C#N)=CCC1CO;UUSRIJMLWLAUHF-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367773;MM367773;C#CCCC#CC(F)C#N;KQCYLZMWUYLVDK-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367774;MM367774;COC=NOCC(O)CF;ZOHZNMQCOSQCTO-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367775;MM367775;C#CC(C)C#CCCCC;FAWSTQOJRIMCIH-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367776;MM367776;C=Nn1nnc(NC)c1C;SECUVUUPCWIOLP-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367777;MM367777;C#CC(N)C#CCCCN;BBTRIKNCRSSIJQ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367778;MM367778;COC=NOCC(F)CF;NFNAUUFUIOEFDR-UHFFFAOYSA-N;153.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367779;MM367779;C#CC(F)C#CCCOC;YINLTJWXSTYAKB-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367780;MM367780;CCC=NOCC(C)NC;JXRVPRJHJALKNP-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367781;MM367781;C#CC(C)C#CCOCC;LDKQQZJDWVZWNN-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367782;MM367782;CNC(C)CON=CCO;LCDUXSILXUIFFA-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367783;MM367783;C#CC(O)C#CCOCC;PKJZEXIBFLVUOW-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367784;MM367784;CCC=NOCC(C)OC;DOVXPTCMYNWQHE-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367785;MM367785;C#CC(F)C#CCOCC;ZYPVEAUGMTXAHS-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367786;MM367786;COC(C)CON=CCN;YUHCTGOCZCTHQX-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367787;MM367787;C#CC(C)C#CCCC=C;KWFGOPSZDCUABH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367788;MM367788;CCC=CCNC(C)CN;WZXFHMQZFHEYBD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367789;MM367789;C#CC(C)C#CCCC#N;BPNTUZJDXCTAGF-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367790;MM367790;CC(CN)NCC=CCO;XUOJBDGSZDKBBO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367791;MM367791;C#CC(O)C#CCCC=C;WGXGMVDRULNKEV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367792;MM367792;CC(CO)NCC=CCN;VVNDDXVPTXPIEV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367793;MM367793;C#CC(F)C#CCCC#N;SYGOFJLNRQYTNI-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367794;MM367794;CCC(C)NCC=COC;RKNSWLPVAQIZQK-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367795;MM367795;C#CC(N)C#CCNC=N;IXGMCGUPYMHYSB-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367796;MM367796;CCC(C)NCC=NOC;OGSTUYDMGUIILN-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367797;MM367797;C#CC(O)C#CCNC=N;WQWHKLYLGLQUHR-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367798;MM367798;CCN=CNNC(C)CC;HJYZGEPMOPEIRE-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367799;MM367799;C#CC(F)C#CCNC=O;MNDBOQWDNOMCOW-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367800;MM367800;CCN=CNNC(C)CN;VGMDJPKPZMCVJS-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367801;MM367801;C=C(CF)CC(CC)CO;WRNFJSAGIQKVJW-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367802;MM367802;CCC=CCOC(C)CN;LMTYEEVEFYFGOS-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367803;MM367803;C#CC(O)C#CCOC=C;ZZCGDAHFGVERJE-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367804;MM367804;COC=CCOC(C)CO;UEIDFZMOGPBUER-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367805;MM367805;C#CC(F)C#CCOC=C;SEORQRIQSMEWTC-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367806;MM367806;CCC(C)OCC=NNC;MPZDSRLIGVJCNH-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367807;MM367807;C#CCCC#CC(C)C#C;BZNFJTFFTIVEKX-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367808;MM367808;COC(C#N)C1NC1C=O;LKRYEBUITKQPMI-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367809;MM367809;C#CCCC#CC(F)C#C;WMCFLZFTLNQUEH-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367810;MM367810;CCC(C)OCC=NOC;QWRBNNLPLCINFZ-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367811;MM367811;C=C(C#CCCCC)CC;JFURPOKMGDFWNO-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367812;MM367812;CON=CCOC(C)CN;YSMUAFGNIHSDEE-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367813;MM367813;C=C(C#CCCCC)CN;NWVKHZSYYWTBFE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367814;MM367814;CCC=CCOC(C)OC;YBEAOICFGGPOIP-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367815;MM367815;C=C(C#CCCCF)CN;KOUNZOBAWUJJFC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367816;MM367816;COC=CCOC(C)OC;UQPPOULAXGHIGH-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367817;MM367817;CCCCC#CC(=O)CC;IAWOZINVZPDCNP-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367818;MM367818;CNN=CNOC(C)CN;GLUZXRCYRONYKM-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367819;MM367819;CCCCC#CC(=O)CO;LNAICGDSELMNMR-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367820;MM367820;CCC(C)C1CN1CC=O;SMWJENFMEFNBTH-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367821;MM367821;O=C(C#CCCCF)CO;WIILHWGZSXNVBK-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367822;MM367822;CCC=COC=NNC=N;LECGUZNDMHYBKA-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367823;MM367823;C=C(C#CCCNC)CC;FYASHNTXOFCNOB-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367824;MM367824;CON=CNOC(C)CN;HNOOMYCTKZODDH-UHFFFAOYSA-N;147.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367825;MM367825;C=C(C#CCOCC)CC;KCHZOTZUQMINFT-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367826;MM367826;N=CNN=COC=CCF;ZWVDGHYZPHSLEQ-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367827;MM367827;C=C(C#CCOCC)CN;PNAFSMWXTFWCEG-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367828;MM367828;C=CC=COC=NNC=N;DJRKSKWCKSBEFE-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367829;MM367829;C=C(C#CCOCC)CO;QRRSKCOEVGCRGV-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367830;MM367830;CCC=CCCN(C)CC;OEERBYQPCWCDMD-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367831;MM367831;CCOCC#CC(=O)CC;OLBQETWMWIMWKQ-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367832;MM367832;CCN(C)CCC=COC;MWEQLOBIKOHZQZ-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367833;MM367833;CCOCC#CC(=O)CF;CWJKRYXXXWFUFP-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367834;MM367834;CCN(C)CCC=NNC;FUTOXZSHJCZRMP-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367835;MM367835;CCCCC#CC(=N)NC;LNYAEICRRQQNPV-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367836;MM367836;C=CC=CCCC(C)CC;GNLBHDKLGVRFHA-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367837;MM367837;N=C(C#CCCCO)NN;WKIISIWLKBKHCT-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367838;MM367838;CCCCC#CC(=O)NC;JVAPFJAZNRRZLN-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367839;MM367839;CCC(C)CCC=CC=O;XOJNIXNLDBDQPC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367840;MM367840;CNC(=O)C#CCCCN;JEHPTCZKVPUFHG-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367841;MM367841;CCC(C)CCC=CC#N;WBLPNDYWQZWECH-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367842;MM367842;CNC(=O)C#CCCCO;HKYXYEDCXLXISE-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367843;MM367843;C=CC=CCCC(C)CN;IAMQAEOHKQJHIJ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367844;MM367844;CC=C(C)CC(CC)CO;XWAYUPOLJXTIRO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367845;MM367845;CC(C#CCC=O)N1CC1;AUGTZVHNFCDHPL-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367846;MM367846;NNC(=O)C#CCCCF;WVJBVONFXYCQQG-UHFFFAOYSA-N;144.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367847;MM367847;CC(CF)CCC=CC#N;WYPTZWMYASJHQA-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367848;MM367848;CCCCC#CC(=O)NO;RQZNTEMLZIWJND-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367849;MM367849;C=CC=CCCC(N)CC;BYZNSTIMEZPFPY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367850;MM367850;CNCCC#CC(=N)NN;AKLVQPUZKWJVHC-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367851;MM367851;C=CC=CCCC(N)CN;JXZWOFNCBNAVQW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367852;MM367852;CNCCC#CC(=N)NO;NTSKICCWNRUGHR-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367853;MM367853;C=CC=CCCC(N)CO;UNUVNJONLBDJCH-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367854;MM367854;CNCCC#CC(=O)NO;NNVIASFZELGKFA-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367855;MM367855;C=CC=CCCC(N)CF;FBFATUMZYNTXCR-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367856;MM367856;COCCC#CC(=O)NN;OLGFKSTVNRTQOH-UHFFFAOYSA-N;142.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367857;MM367857;N#CC1CCC2(CO)CC12;QXSZZSOPLNSXBH-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367858;MM367858;COCCC#CC(=O)NO;HRQIYJPDKYSRJA-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367859;MM367859;C=CC=CCCC(O)CN;UJHSSLUZFPQGBW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367860;MM367860;CCNCC#CC(=N)NN;MLUZDIZFKPRDCL-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367861;MM367861;C=CC=CCCC(O)CO;SFNMDWCMTMRPRN-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367862;MM367862;CCNCC#CC(=O)NC;WSRDRLRYMFYEFB-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367863;MM367863;CCC(F)CCC=CC=O;CBHRPCWOFIYBRJ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367864;MM367864;CCNCC#CC(=O)NN;GHGOGKQMDBYHGE-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367865;MM367865;CCC(F)CCC=CC#N;CXXJUXMKVOVZPW-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367866;MM367866;CCNCC#CC(=O)NO;PXOCCIBWSPHZJG-UHFFFAOYSA-N;142.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367867;MM367867;C=CC=CCCC(F)CN;IIGRBHBKIJMVND-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367868;MM367868;CCOCC#CC(=O)NC;UDXWVDDNGPQZSN-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367869;MM367869;C=CC=CCCC(F)CF;QDAINBTXVIKNQW-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367870;MM367870;CCCCC#CC(=O)OC;IATZLNCRIIUXJM-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367871;MM367871;C=NN=CCCC(C)CC;JLBZPPQMDSMIMG-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367872;MM367872;CNCCC#CC(=O)OC;SZSZYXFVIDZDNJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367873;MM367873;C=NN=CCCC(C)CN;XCHPWZVWXCDWCD-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367874;MM367874;C=C(C#CCCOC)OC;ZWKZSJZKNQAHGQ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367875;MM367875;C=NN=CCCC(C)CF;QMZKYQLEOUSFGR-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367876;MM367876;COCCC#CC(=O)OC;XTUUISJTARLZPV-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367877;MM367877;C=NN=CCCC(N)CC;STQWBPSONNAOSY-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367878;MM367878;C=C(C#CCOCC)OC;CENASVRSDACURS-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367879;MM367879;C=NN=CCCC(N)CF;CESQOWWPCHXVBZ-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367880;MM367880;CCOCC#CC(=O)OC;TUQIKRYVPVNXAK-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367881;MM367881;C=NN=CCCC(O)CC;OXQMRCDKTNCNDC-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367882;MM367882;C=CCCC#CC(=C)CC;IRWRVDTVCMADSN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367883;MM367883;C=NN=CCCC(F)CN;ZCSLOAUYPVJKQA-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367884;MM367884;C=C(C#CCCC#N)CC;SOLWDEYUKLZJOO-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367885;MM367885;C=CC=CCCC(C)NC;BANNBBYOYPIQEZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367886;MM367886;C=CCCC#CC(=C)CO;HYWBWTOZTUPSSE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367887;MM367887;CNC(C)CCC=CC=O;FCYMMCIRVVCURG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367888;MM367888;C=CCCC#CC(=C)CF;KKMHSQNWAFIIBF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367889;MM367889;CNC(C)CCC=CC#N;MBLLFGNEDGXQAG-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367890;MM367890;C=C(C#CCCC#N)CF;UACVGNYEHMTSIE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367891;MM367891;C=CC=CCCC(C)OC;SSODSMIKHNENHW-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367892;MM367892;C=CCCC#CC(=O)CC;SMFPTXFUGDBJHF-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367893;MM367893;COC(C)CCC=CC#N;IDNLOJBASCCJNM-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367894;MM367894;C=CCCC#CC(=O)CF;DQSMADSQLBUHKN-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367895;MM367895;CCC(C)CNC=CC#N;ZVRBZXMWEJOXEC-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367896;MM367896;N#CCCC#CC(=O)CF;FYSUPGCLWDDLIG-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367897;MM367897;CC(CO)CNC=CC=O;UWTLPHZGRDUREY-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367898;MM367898;C=C(C#CCNC=N)CO;XGOJCXXQJRATMQ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367899;MM367899;CC(C)CCC(C)O;ZDVJGWXFXGJSIU-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367900;MM367900;C=C(C#CCNC=O)CO;SCQSBLYOARLULV-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367901;MM367901;C#CC(C)C(C)CO;PXLPUTMUCOKGIU-UHFFFAOYSA-N;112.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367902;MM367902;N=CNCC#CC(=O)CF;YORRGFNXGCZOJE-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367903;MM367903;CCC(F)CNC=CC=O;ZHNMVGKPYMKLGR-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367904;MM367904;O=CNCC#CC(=O)CF;QZUBOVAPABJBMX-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367905;MM367905;C=CCCC(O)C=C;UCCNWJJCBGANDL-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367906;MM367906;C=NNCC#CC(=C)CN;UCSMXSFPWYUBDC-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367907;MM367907;O=CC=CNCC(F)CF;WPBRQROJWDUEMA-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367908;MM367908;CCC(CO)CC(C)=CF;FYFZLGHAKFIOEA-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367909;MM367909;CCC(C)CN=CNC=N;LIHLGVSRLRCBKK-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367910;MM367910;C=COCC#CC(=C)CN;JWPXREGBUFKMII-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367911;MM367911;CC(CN)CN=CNC=O;MIPTZMFWSIXBGX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367912;MM367912;C=C(C#CCOC=O)CO;HGWLDVYLSNDBIN-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367913;MM367913;C=CC=CC(O)CC;DJNZIOMNORCXHM-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367914;MM367914;C=COCC#CC(=O)CF;HBVMWUZXWUMOFH-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367915;MM367915;C=NNC=NCC(C)CN;ZGZGNUBUCKUHAL-UHFFFAOYSA-N;142.21;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367916;MM367916;C=NOCC#CC(=C)CN;AWTLHVRTXWMGAP-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367917;MM367917;CCc1ncc(N)o1;PHMVBLXARIMDAT-UHFFFAOYSA-N;112.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367918;MM367918;C=C(C)CCC(CC)CO;OGVDCEPPWUWXMT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367919;MM367919;CC(O)CCC1CC1;WRDVFDUREQOBJX-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367920;MM367920;C=CCCC#CC(=N)NC;XVJBSGQTXBBMQD-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367921;MM367921;C=NNC=NCC(N)CC;XRAWDGABQGOVOB-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367922;MM367922;CNC(=O)C#CCCC#N;UEKJZMQBSJNKMF-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367923;MM367923;CCC(C)CCC(C)O;FYMBAYNKBWGEIK-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367924;MM367924;C=CCCC#CC(=O)NN;JYKIHAOMENVRBA-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367925;MM367925;CNC(C)CN=CNC=N;HJYBHHFAFHBULH-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367926;MM367926;C=CCCC#CC(=O)NO;INFXMDTWCNVNNA-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367927;MM367927;CNC(C)CN=CNC=O;HSZCXNKRZQUZQT-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367928;MM367928;CNC(=N)C#CCNC=N;LAAWQXNZTZGWRQ-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367929;MM367929;C=NNC=NCC(C)NC;CGRQGPVOTSIMTJ-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367930;MM367930;CNC(=N)C#CCNC=O;KASBPHXEXDEKFN-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367931;MM367931;COC(C)CNC=CC#N;QMMYUFXYQNQMDI-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367932;MM367932;N=CNCC#CC(=N)NN;AIGSZSZDIVOWGY-UHFFFAOYSA-N;139.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367933;MM367933;N=C(C#CCNC=O)NN;RDXOJVSNZQQOGY-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367934;MM367934;C=CC=NNCC(C)CN;YFFAADCYVKEDHU-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367935;MM367935;N=CNCC#CC(=N)NO;NGRVGFIRUYBCBV-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367936;MM367936;CC(O)CCC(C)CF;YDIKYOXKBDZAAN-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367937;MM367937;CNC(=O)C#CCN=CN;MHZXEFSSTJTLMN-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367938;MM367938;C=CC=NNCC(N)CC;CXDTVBJRCGUXPF-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367939;MM367939;CNC(=O)C#CCNC=O;XYNBVWYKBBGDNY-UHFFFAOYSA-N;140.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367940;MM367940;C=CC(O)C(=C)C(C)C;HCYWCZNAJXHPBZ-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367941;MM367941;NC=NCC#CC(=O)NN;LKDWEBQOUUUYMV-UHFFFAOYSA-N;140.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367942;MM367942;C=CC(O)C(C)=C(C)C;BPPDKVWTPNDHCW-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367943;MM367943;NNC(=O)C#CCNC=O;DCVWSBDNCKSNMX-UHFFFAOYSA-N;141.13;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367944;MM367944;N#CC=NNCC(O)CO;UULGOVQCOXAIGY-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367945;MM367945;NC=NCC#CC(=O)NO;FKEHIQRKLWPCSL-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367946;MM367946;C=CC(O)CCC=CC;OSLCPZYIPCXBMS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367947;MM367947;O=CNCC#CC(=O)NO;CLNBEQLTCMPDAV-UHFFFAOYSA-N;142.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367948;MM367948;N#CC=NNCC(O)CF;VBLKBMWXOJWXMT-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367949;MM367949;C=NNCC#CC(=N)NN;HHZFHHICTZMYDI-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367950;MM367950;C=CC(O)CCC=CF;JUKXTBMJCXKRQO-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367951;MM367951;CCC(CO)CCC(C)=O;RFPCIDAAZXTWAV-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367952;MM367952;N#CC=NNCC(F)CO;BMONHDXKGOQQEM-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367953;MM367953;C=NNCC#CC(=O)NO;ZJJVJQSGIPWUFL-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367954;MM367954;N#CC=NNCC(F)CF;ZSDVITOSEMDMDS-UHFFFAOYSA-N;147.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367955;MM367955;N=C(C#CCOC=O)NN;HKXNFQKQOIHDCM-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367956;MM367956;C=CC=NNCC(C)NC;DYSFJVBBFDOIGF-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367957;MM367957;C=COCC#CC(=O)NC;QQSJPWPJOKSGDP-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367958;MM367958;CNC(C)CNN=CC=O;JKOGFEILXJXNLJ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367959;MM367959;CNC(=O)C#CCOC=O;LFGYDHCVSKDJEZ-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367960;MM367960;C=CC=NNCC(C)OC;GBNZMTIGWJXWSK-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367961;MM367961;C=COCC#CC(=O)NN;JHTICEZLCMMWRY-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367962;MM367962;COC(C)CNN=CC#N;CFFLEFKBQZQAON-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367963;MM367963;C=COCC#CC(=O)NO;YRHBNYJFCQXAGZ-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367964;MM367964;CCC(C)COC=CC#N;OUZGHRFQSYKWKS-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367965;MM367965;C=NOCC#CC(=N)NN;RIHANDUKVRSBMS-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367966;MM367966;C=CC=COCC(C)CN;NRJPIIFIBGZZNJ-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367967;MM367967;C=CCCC#CC(=C)OC;RMYCWBPVPLDYGR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367968;MM367968;CC(CO)COC=CC#N;LULFWWLGGMVIQB-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367969;MM367969;C=CCCC#CC(=O)OC;DVNRITCVXIQDFW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367970;MM367970;C=CC=COCC(N)CC;GAKWAHDGPBICCH-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367971;MM367971;COC(=O)C#CCCC#N;AIHCRVHUBMQVEV-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367972;MM367972;C=CC=COCC(N)CF;WPQAETHMSXICRX-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367973;MM367973;C=COCC#CC(=C)OC;REROVVODTDDNGE-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367974;MM367974;CCC(O)COC=CC#N;RYYZRBIHNOLTLV-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367975;MM367975;C=COCC#CC(=O)OC;DHJPLKFTYWGKES-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367976;MM367976;C=CC=COCC(O)CO;AFDDLAIGXAADLA-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367977;MM367977;C=C(F)CCC(CC)CO;HBFRSSWVAUNMTD-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367978;MM367978;O=CC=COCC(O)CO;SVBSUJHSDZMQAC-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367979;MM367979;C#CCCC#CC(=C)CC;AFACZWIEKPTBOT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367980;MM367980;N#CC=COCC(O)CO;MKZYOZGUTGTBDS-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367981;MM367981;C#CCCC#CC(=C)CN;FBOZRVPYWOGKEO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367982;MM367982;C=CC=COCC(O)CF;PBADOVLUKHGGHI-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367983;MM367983;C#CCCC#CC(=C)CO;KLRMKXDJGAWKPY-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367984;MM367984;C=NN=COCC(C)CN;RQBQONUBEZKFOK-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367985;MM367985;C#CCCC#CC(=C)CF;WUCDQJLADRMMKW-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367986;MM367986;C=NN=COCC(C)CO;QQPHKUKRZGKVKU-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367987;MM367987;C#CCCC#CC(=O)CC;OWSXNKYEUZXIGB-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367988;MM367988;C=NN=COCC(N)CN;ZXWAENAYPFJQLK-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367989;MM367989;C#CCCC#CC(=O)CO;XLKWPQAPJTUGHM-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367990;MM367990;C=NN=COCC(N)CO;YDFVLPXHLPAONM-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367991;MM367991;C#CCCC#CC(=N)NC;QBKRDYGSJODPFD-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367992;MM367992;C=NN=COCC(O)CC;NRTMFBMEMFKQAG-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367993;MM367993;C#CCCC#CC(=N)NN;FMWUGSVLEUMWSW-UHFFFAOYSA-N;135.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367994;MM367994;C=NN=COCC(O)CN;OIVBTQCPJAZXRG-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367995;MM367995;C#CCCC#CC(=O)NC;WZIAGRXQHTXEBV-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367996;MM367996;C=CC=COCC(C)NC;UDTAJWNIDLQGBM-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367997;MM367997;C#CCCC#CC(=C)OC;TWXLAFZNLKQILX-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367998;MM367998;COC(C)COC=CC=O;ZPJZUBNCXYIRFO-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM367999;MM367999;C#CCCC#CC(=O)OC;HKZCTKLFJLAUSJ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368000;MM368000;COC(C)COC=CC#N;XWTNIELKERSEMY-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368001;MM368001;C=CC(=C)C#CCCCC;VAQJRKYLYRYEJT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368002;MM368002;C=NN=COCC(C)OC;YTUQENHPTYPQFF-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368003;MM368003;C=C(C#CCCCC)C=O;DWPOGBUCMRWASD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368004;MM368004;C=CC=NOCC(C)CC;YRJZKCRMRSUWBN-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368005;MM368005;C=C(C#N)C#CCCCC;ARPCWLWBUKQGDL-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368006;MM368006;CCC(C)CON=CC=O;IPHMVVMACBVTSU-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368007;MM368007;C=C(C#N)C#CCCCO;JWAJNQSMXCEIHN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368008;MM368008;C=CC=NOCC(C)CN;XNYZINSLQUXOCS-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368009;MM368009;C=C(C#CCCCF)C=O;KASCTZHTKLDBRP-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368010;MM368010;CC=CC=CC(O)CC;FJCZSUYRNVRTFV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368011;MM368011;C=C(C#N)C#CCCCF;MAKORZJYJVUEBE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368012;MM368012;C=CC=NOCC(C)CF;BVJLGWXMFVXESW-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368013;MM368013;C=CC(=O)C#CCCCC;XCSQVLNOEHDZOE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368014;MM368014;C=CC=NOCC(N)CC;YFYBCVQCHPZIKD-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368015;MM368015;C=CC(=O)C#CCCCF;NONPHYREPQGSOI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368016;MM368016;C=CC=NOCC(N)CN;PBDQXOVSEZIMFH-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368017;MM368017;CCCCC#CC(=O)C=O;ZFZJKSNREZGYSJ-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368018;MM368018;C=CC=NOCC(N)CO;MXPRGSUEVZUJMF-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368019;MM368019;CCCCC#CC(=O)C#N;FJUXBFVTBRAFIU-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368020;MM368020;CCC(O)C=CC=CF;LWWANAIUDQTKMM-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368021;MM368021;N#CC(=O)C#CCCCF;PJACSBWXQNTBAO-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368022;MM368022;N#CC=NOCC(O)CO;UYZUODJHHUCOHS-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368023;MM368023;CNCCC#CC(=O)C=O;DWEXABRQHOFGPR-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368024;MM368024;N#CC=NOCC(O)CF;FBNJUYPPRCOOHD-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368025;MM368025;C=CC(=C)C#CCOCC;PJLBOJQZBGIINN-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368026;MM368026;C=CC=NOCC(F)CC;ZZQQBYFCYACSBP-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368027;MM368027;C=C(C#CCOCC)C=O;BEZUAGNRPVGNCV-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368028;MM368028;C=NN(C)C(=O)CCF;MREZIRPKHSRYAE-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368029;MM368029;C=C(C#N)C#CCOCC;VAWRQHCLRZXOPW-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368030;MM368030;O=CC=NOCC(F)CO;HPTZBJYEFDAUAX-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368031;MM368031;C=CC(=O)C#CCOCC;JLHFAFNKZMFUDT-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368032;MM368032;N#CC=NOCC(F)CO;JVABRXLBKTXKRQ-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368033;MM368033;CCOCC#CC(=O)C#N;CTUYYZGIAPMEOZ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368034;MM368034;N#CC=NOCC(F)CF;DDOVUQDPYDXTQI-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368035;MM368035;C=CC(=C)C#CCCC=O;QHSROQKQBLQXTA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368036;MM368036;C=CC=NOCC(C)NC;XMCVUFSMXGCZJQ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368037;MM368037;C=CCCC#CC(=C)C=O;NXZREYBELNUDFQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368038;MM368038;C=CC=NOCC(C)OC;PYAIPKWKBOUXPA-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368039;MM368039;C=CCCC#CC(=C)C#N;NAPRYFNECPLGNM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368040;MM368040;CCC(C)NCC=CC#N;WWSLVYTYUZFSCY-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368041;MM368041;C=C(C#N)C#CCCC=O;JDHVODOVWHTZOH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368042;MM368042;C=C(C#CCCC#N)C=O;LIIXJKFVGQPPID-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368043;MM368043;C=CC=CCNC(C)CN;FWHFETSHOJYGBH-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368044;MM368044;C=CCCC#CC(=O)C=C;QOERJMWQYALFSN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368045;MM368045;CC(CO)NCC=CC=O;MXRVCEFCTFXIHT-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368046;MM368046;C=CCCC#CC(=O)C#N;JIELARZXDPICFY-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368047;MM368047;CC(CO)OCC=CC#N;UACDDCMJIUSVLM-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368048;MM368048;N#CCCC#CC(=O)C=O;UTFLXXZPPIEOQH-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368049;MM368049;C=NN=CCOC(C)CO;CKFGKLSTZWPFFU-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368050;MM368050;N#CCCC#CC(=O)C#N;FLANEUMWLYWIEM-UHFFFAOYSA-N;132.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368051;MM368051;COC(C)OCC=CC#N;JMCWMVGSYVAGOD-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368052;MM368052;C=CC(=C)C#CCNC=N;DMNNORHXICKQKQ-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368053;MM368053;C=NN=CCOC(C)OC;HGSXQLDRHRPRIW-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368054;MM368054;C=CC(=C)C#CCNC=O;KUNAOOFINIDLAK-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368055;MM368055;C=C(CC)C(O)C=CC;VKAIUFCVJKSMJR-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368056;MM368056;C=C(C#N)C#CCNC=O;FTTHRPXEPORGKB-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368057;MM368057;C=CC=CCCN(C)CC;DASZBYGECVVRHO-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368058;MM368058;C=CC(=O)C#CCNC=N;SPKRRVRIBBUTLK-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368059;MM368059;CCN(C)CCC=CC#N;LGFDSNHICWLWHX-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368060;MM368060;N#CC(=O)C#CCNC=O;MZAHXMTWOMSOHW-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368061;MM368061;C#CC=CCCC(C)CC;HDRMAZIKBRQZNE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368062;MM368062;CCC1(CO)CC(C#N)C1;MRZYCSJSUZISTN-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368063;MM368063;C#CC=CCCC(C)CN;PDLFOCRJSTYYLG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368064;MM368064;C=C(C#CCOC=O)C=O;BJOUFNGPLFHEKK-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368065;MM368065;CC=CC(O)C(C)=CC;VDDMHVVWDJSATF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368066;MM368066;C=COCC#CC(=O)C#N;RFFIFZPJLLOQBR-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368067;MM368067;C#CC=CCCC(N)CC;DTNBNICQBHYBEH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368068;MM368068;C=CC(=O)C#CCON=C;ADVCZLCEKSFZFZ-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368069;MM368069;C#CC=CCCC(N)CN;INGHGDPNSZLNKT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368070;MM368070;C=CC1(C#N)CC(=O)CN1;QLJMFYFPOYEJTF-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368071;MM368071;C#CC=CCCC(N)CF;LJBPWQREYVOUGB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368072;MM368072;C#CCCC#CC(=C)C=C;PBSBHRPXDYOHNS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368073;MM368073;CC1=C(C)CC(CO)C1;HWMDVXNCWAAVOP-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368074;MM368074;C#CCCC#CC(=C)C=O;CPRDWARHWQAOTH-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368075;MM368075;C#CC=CCCC(O)CO;YVXWREIZAXMHPH-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368076;MM368076;C#CCCC#CC(=C)C#N;DYUHXHPNISQTCC-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368077;MM368077;C#CC=CCCC(O)CF;FFKCXRSZVRSURD-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368078;MM368078;C#CCCC#CC(=O)C=C;YNYGOJSPHOYOLJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368079;MM368079;C#CC=CCCC(F)CC;CYXCKOOKEWFOQN-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368080;MM368080;C#CCCC#CC(=O)C=O;PXSCEWQRJJQAJZ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368081;MM368081;C#CC=CCCC(F)CN;VIZSXVQAKLZEBE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368082;MM368082;C#CCCC#CC(=O)C#N;JYADXCMWZCJEBE-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368083;MM368083;C#CC=CCCC(F)CO;RGUOAEAYFHURKR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368084;MM368084;C#CC(=C)C#CCCCC;ZDYBDMXXOGLIEU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368085;MM368085;C#CC=CCCC(F)CF;JZSNXEXXEDCCCW-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368086;MM368086;C#CC(=O)C#CCCCC;YSQFYPUSEPWBFF-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368087;MM368087;C#CC=CCCC(C)OC;JPESSNSHJQPRPO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368088;MM368088;C#CC(=O)C#CCCOC;ZXPODHRFIWVXMS-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368089;MM368089;C#CC=NNCC(C)CC;NVHADVZSHIOVPI-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368090;MM368090;C#CC(=C)C#CCOCC;RNTOKANWZNNVMU-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368091;MM368091;Cc1c[nH]c(N=N)c1C;JXPMGTHFVLAOPX-UHFFFAOYSA-N;123.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368092;MM368092;C#CC(=O)C#CCOCC;FVHASIYVZVVCKX-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368093;MM368093;C#CC=NNCC(N)CO;TXQOXEWIXDXXKH-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368094;MM368094;C#CC(=C)C#CCCC=C;SMPKVOPVZCAVKN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368095;MM368095;C#CC=NNCC(O)CN;PXXVRHAHSRSMSC-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368096;MM368096;C#CC(=C)C#CCCC#N;GUXPYTPOIKEIAS-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368097;MM368097;C#CC=NNCC(F)CN;HCRNEVPXCXTZOD-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368098;MM368098;C#CC(=O)C#CCCC=C;ULMRYKFFWGRNHP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368099;MM368099;C#CC(=O)C#CCCC#N;HUEJSOSRLMJQJY-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368100;MM368100;C#CC=NNCC(C)NC;LKALEJRSQKMPDA-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368101;MM368101;C#CC(=C)C#CCNC=O;CYJZBTXJANGYHK-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368102;MM368102;C#CC=COCC(C)CC;WABQVHMNUCJNRL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368103;MM368103;C#CC(=C)C#CCOC=C;JNJAAQHNGIFSSX-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368104;MM368104;C#CC=COCC(C)CO;XRMLYBZAFZOQNS-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368105;MM368105;C#CC(=O)C#CCOC=C;LYIHOZOWAIJULZ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368106;MM368106;C#CC=COCC(N)CO;RPGGLIWAGAMUAO-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368107;MM368107;C#CC(=C)C#CCON=C;VKYSIHCEIGVOLU-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368108;MM368108;C#CC=COCC(O)CN;JWGIVYBICTUSJX-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368109;MM368109;C#CC1(CO)C=CC(=C)C1;ULUIBJQDXDEOCX-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368110;MM368110;C#CC=COCC(F)CC;PDJPMTGTAROPDL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368111;MM368111;C#CCCC#CC(=C)C#C;OHEUWUPZPIDVBD-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368112;MM368112;C#CC=COCC(F)CO;AEAWCAAJCLHYBX-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368113;MM368113;C#CCCC#CC(=O)C#C;PIUIRGWGSUDARG-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368114;MM368114;C#CC=COCC(C)NC;GOAIPQOHJFZHTK-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368115;MM368115;CC=CCC#CC(C)CC;IMMCLSPMVSJROH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368116;MM368116;C#CC=COCC(C)OC;UNDNGKCOJPOFJG-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368117;MM368117;CC=CCC#CC(C)CN;QUXMVVZXVVETHD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368118;MM368118;C#CC=NOCC(C)CC;REHDZHLRZCOKRO-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368119;MM368119;CC(C#CCC=CF)CN;ZJNZUWYSMUPCEC-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368120;MM368120;C#CC1CCC(CO)C1;AOJKGCMCYZMFHZ-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368121;MM368121;CC(C#CCC=CF)CO;VDIFKUSYYUUOKQ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368122;MM368122;C#CC=NOCC(C)CF;WONZHDWCGCSMOF-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368123;MM368123;CC(C#CCC=CF)CF;LXUFJIUBLQSMGI-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368124;MM368124;C#CC=NOCC(N)CC;NBFMUERAYVBCTH-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368125;MM368125;CC=CCC#CC(N)CC;VACZYFICWZHIIR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368126;MM368126;C#CC=NOCC(N)CN;AAVGWPDZHLGPST-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368127;MM368127;CC=CCC#CC(N)CO;RWDPMGAPVLHBJS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368128;MM368128;C#CC=NOCC(N)CO;HCTGMUJQQAZJOU-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368129;MM368129;CC=CCC#CC(O)CC;ZETUCOFVYQBGIY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368130;MM368130;C#CC1CC1C(C)CO;KDWIMTABJZXOLR-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368131;MM368131;CCC(O)C#CCC=CF;FTXVDBZZZZNANE-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368132;MM368132;C#CC=NOCC(O)CN;OEMGCGSDXDLYQY-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368133;MM368133;CC=CCC#CC(O)CO;JBGUZWKKPCPAAM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368134;MM368134;C=NNCC#CCC=O;DQRDTWHBZQYBJL-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368135;MM368135;CC=CCC#CC(F)CO;WNEIPWLTSADAKS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368136;MM368136;C#CC=NOCC(F)CC;QSRZUCRQWOZBPD-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368137;MM368137;CC(C#CCC=NN)CF;HPIAPVNAXCKPQC-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368138;MM368138;C#CC=NOCC(F)CN;WSTSITQNFSEESS-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368139;MM368139;CC=C(C)C(C)C(C)CO;NNFNBFKPMTZIQN-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368140;MM368140;C#CC=NOCC(F)CF;MNQOCBMALDJWJQ-UHFFFAOYSA-N;147.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368141;MM368141;CCC(O)C#CCC=NO;TYIJCSJGZVLMBX-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368142;MM368142;C#CC=NOCC(C)NC;FBMMXVFVJBYCOM-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368143;MM368143;CC=CCC#CC(C)NC;VLHRDNFDCIASNJ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368144;MM368144;C#CC=NOCC(C)OC;QHDUCYYBOXWJSW-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368145;MM368145;CNC(C)C#CCC=CF;MBWLKRCFVHSXQB-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368146;MM368146;C#CC=CCOC(C)CC;KIJYVXYUSOKWRI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368147;MM368147;CC=CCC#CC(C)OC;MQQMMKNAOGEZSH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368148;MM368148;C=CC(C)CCC=CCC;NKFZELMDHWGQDV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368149;MM368149;C=CC(C)C#CCC=CC;KVOCOFDEJVLRPA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368150;MM368150;C=CC(C)CCC=CCO;RHWLBDOIUAVSNU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368151;MM368151;CC=CCC#CC(C)C=O;YESPWCIXXMSCMB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368152;MM368152;CC=CCC#CC(C)C#N;GDHWJJKDKDTYQX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368153;MM368153;CCC=CCCC(C)C=O;GQQOUCMKIUZZDC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368154;MM368154;C=CC(N)C#CCC=CC;PZUIJBFTEIJBHE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368155;MM368155;CCC=CCCC(C)C#N;UCARDZYYKHLGPW-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368156;MM368156;C=CC(O)C#CCC=CC;MPQOWWXVMWIQQG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368157;MM368157;CC(C=O)CCC=CCO;VVYUBHHEWLIGAF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368158;MM368158;C=CC(O)C#CCC=CF;CKRZNAHIXYDHMU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368159;MM368159;CC(C=O)CCC=CCF;BDLHVZMRYTVVBB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368160;MM368160;CC=CCC#CC(O)C=O;KKWBGQRODAKXRW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368161;MM368161;C=CC(N)CCC=CCC;BVFIXSGDEVVLCP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368162;MM368162;O=CC(O)C#CCC=CF;XQWBMELBJDUNNM-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368163;MM368163;C=CC(N)CCC=CCO;KHRKXUBXJKRSLF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368164;MM368164;C=CC(F)C#CCC=CC;WQFVWDZAJHZWIB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368165;MM368165;CC(C)(C)OC=NNC=N;XWSBDKHLAJTPAC-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368166;MM368166;CC=CCC#CC(F)C#N;NFQWXQSKIVMXSX-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368167;MM368167;C=CC(O)CCC=CCN;DDPSDOPMHDJPFC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368168;MM368168;CC(C#CCC=NO)C=O;FPLNTTUHIZFCTF-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368169;MM368169;CCC=CCCC(O)C#N;UIDUEMCLYCPWCG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368170;MM368170;C#CC(C)C#CCC=CC;UISLSDYYRMPQHM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368171;MM368171;N#CC(O)CCC=CCO;GWLDZGDIYPPAAD-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368172;MM368172;C#CC(O)C#CCC=CC;BFTOGGANWSOAQI-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368173;MM368173;N#CC(O)CCC=CCF;NTEYQWYLRWISIZ-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368174;MM368174;C#CC(F)C#CCC=CC;AYZCGBUCXNSMOQ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368175;MM368175;C=CC(F)CCC=CCC;ROUZMJVFPQTFML-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368176;MM368176;C#CC(F)C#CCC=NO;KTBZUGTYNLUYDL-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368177;MM368177;CCC=CCCC(F)C=O;HBDGPXWPESBOIT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368178;MM368178;C=C(C#CCC=CC)CC;VIJSZNVQISTMGX-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368179;MM368179;CCC=CCCC(F)C#N;ORCGTACWAZLXQJ-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368180;MM368180;C=C(C#CCC=CF)CC;PYZKWJUMLYQBBA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368181;MM368181;COC=CCCC(O)C=O;ZMCOUDZWGAPBSK-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368182;MM368182;C=C(C#CCC=CC)CN;RKUVNSNECPWNFW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368183;MM368183;COC=CCCC(O)C#N;JLHJLSMMKHKRTQ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368184;MM368184;C=C(C#CCC=CC)CO;DNKYOMBVIWBXGV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368185;MM368185;CN(CC=O)C(C)(C)CF;UDERIMGKXZOIFM-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368186;MM368186;C=C(C#CCC=CF)CO;PSUFIHVZHOZJHV-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368187;MM368187;CNN=CCCC(C)C#N;ATXFVOPSEYBIQJ-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368188;MM368188;C=C(C#CCC=CC)CF;ZHXHREPOLVPMRN-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368189;MM368189;C=C1C(O)C=C(C)C1(C)C;QFGAKVFCKTUWBV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368190;MM368190;CC=CCC#CC(=O)CC;ACKFEQZXJADZSX-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368191;MM368191;C#CC1=CC(C)(O)C(C)=C1;BUCILMRXXYMGRH-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368192;MM368192;CC=CCC#CC(=O)CO;BCKZEKSZRUTISY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368193;MM368193;CON=CCCC(C)C#N;QQJBPYQYUXSBDN-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368194;MM368194;O=C(C#CCC=CF)CO;MEPWSBKWVJYJQK-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368195;MM368195;CCCC(C)CCC(C)O;IWFICVXFFNDWOJ-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368196;MM368196;C=C(C#CCC=NN)CC;IJURFORUWUOLMM-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368197;MM368197;CCN=CNCC(C)C#N;BZQPSUUZTLPESS-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368198;MM368198;CC=CCC#CC(=N)NN;DHDHUPSOCPIENO-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368199;MM368199;CCN=CNCC(O)C#N;ZHNHPOYVPMOTBR-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368200;MM368200;CC=CCC#CC(=O)NC;LJXVJAZMBUOLME-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368201;MM368201;CCN=CNCC(F)C#N;GFLDQXLIMNASAY-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368202;MM368202;NNC(=O)C#CCC=CF;MIRKRKXLPCOCEN-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368203;MM368203;CNN=CNCC(C)C=O;XJTQNCOTWSKYLC-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368204;MM368204;N=C(C#CCC=NN)NN;DSSBPPQGIBWUFY-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368205;MM368205;C=CC(N)CNC=NNC;HRAQQDFGVDBUEP-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368206;MM368206;CNC(=O)C#CCC=NO;OGVOJPONGJQRPD-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368207;MM368207;CC(O)CCC(C)CC#N;JHTMDDLFOVXFRD-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368208;MM368208;C=C(C#CCC=CC)OC;BSTSPIBCPHDEAS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368209;MM368209;CC#CC(C)CCC(C)O;USDJJCGNFPAUGR-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368210;MM368210;CC=CCC#CC(=O)OC;MQBXDBXQDONLDY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368211;MM368211;C=CC(C)CNN=CCC;QCIQEOPZYRSYFF-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368212;MM368212;COC(=O)C#CCC=NO;NJRYFXGRKLCFDL-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368213;MM368213;C=CC(O)CCC=C(C)F;JSQXBJRNULTGSQ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368214;MM368214;C=CC(=C)C#CCC=CC;XZQIWUZWYOBUCD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368215;MM368215;C=CC(O)CCC=C(F)F;LNHACPUZLFXXAI-UHFFFAOYSA-N;148.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368216;MM368216;C=C(C#CCC=CC)C=O;BVVGIFHWOALTKX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368217;MM368217;C=CC(=O)CON=C(C)C;DLRVQGLQVQWLKL-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368218;MM368218;C=C(C#N)C#CCC=CC;DPTYFMRRASKLQU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368219;MM368219;C=CC(N)CNN=CCN;HERDURAZVSATAT-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368220;MM368220;C=C(C#N)C#CCC=CF;TVGNHXQJBQHCLQ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368221;MM368221;C=CC(N)CNN=CCO;BTQLOUYUSVWXFH-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368222;MM368222;CC=CCC#CC(=O)C=O;YXTPFIVBEZFPFQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368223;MM368223;CN(CC=O)CC(F)=CF;BEHJCXFFOURKDO-UHFFFAOYSA-N;149.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368224;MM368224;CC=CCC#CC(=O)C#N;SGHZLENIKJJKQP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368225;MM368225;CCC(=O)CC(C)=NNC;GNEQONLPKZEKLV-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368226;MM368226;O=CC(=O)C#CCC=CF;UMYFVGZJJDKBMR-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368227;MM368227;C=CC1(C(=C)C)CC(O)C1;HYKLQECFWXSFAG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368228;MM368228;C=C(C#N)C#CCC=NO;MQBRGYWWOJRVQM-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368229;MM368229;CC(C)C(C)(C)C1CC1O;BCXFMGRDYCXQGV-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368230;MM368230;C#CC(=C)C#CCC=CC;USOVKJAOXBLIOP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368231;MM368231;C#CC(=C)C#CCC=CF;CKKSPRYAFQFSIZ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368232;MM368232;C=C(C)COC=NNC=N;ZBSKIKPNEMLSMV-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368233;MM368233;C#CC(=O)C#CCC=CC;UOERHWBZQPUWRN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368234;MM368234;CC1C(CCC=O)C1(C)O;ZVEALWREUDXKIP-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368235;MM368235;C#CC(=C)C#CCC=NO;DPYMOEPXUGTCPZ-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368236;MM368236;C=CC(C)COC=CCN;PIOTYNGTYFZGLG-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368237;MM368237;CC#CCC#CC(C)CC;FOOWTDVKVAHUPI-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368238;MM368238;C=CC(C)COC=CCF;MNETYWMRGYLGKR-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368239;MM368239;CC#CCC#CC(C)CN;XDPXOCVXBWBZGS-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368240;MM368240;CC(C=O)COC=CCF;QKWDGWXHMXWVNI-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368241;MM368241;CC#CCC#CC(C)CO;MREQTAYEGPYTBG-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368242;MM368242;CC(C#N)COC=CCF;OLDMLDWQXWZWKG-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368243;MM368243;CC#CCC#CC(N)CC;DSEWMSCZPHOOHX-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368244;MM368244;C=CC(N)COC=CCC;ATWPPZAKYJGWAT-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368245;MM368245;CC#CCC#CC(N)CN;MKBALSBPDMBUJR-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368246;MM368246;C=CC(N)COC=CCO;YVXCTVQADJMMOJ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368247;MM368247;CC#CCC#CC(N)CO;SFCFYRLBTWDCGZ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368248;MM368248;C=CC(O)COC=CCF;FNNBCIGSGOFGKN-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368249;MM368249;CC#CCC#CC(O)CC;TYXKNCCLTNLBTE-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368250;MM368250;CCC=COCC(O)C=O;YNDOIEYQSDPFNX-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368251;MM368251;CC#CCC#CC(O)CN;VEJJNHTWYZBOSS-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368252;MM368252;CCC=COCC(O)C#N;JPDDHUWDBMBZRE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368253;MM368253;CC#CCC#CC(O)CO;DZSGXYYXOHZSOC-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368254;MM368254;O=CC(O)COC=CCO;UFGAFESKCZRPPK-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368255;MM368255;CC#CCC#CC(F)CC;LNEILZXWYYEEAF-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368256;MM368256;N#CC(O)COC=CCO;VWRWHLJFZQUJFM-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368257;MM368257;CC#CCC#CC(F)CN;LBUXVHOKWKLNOS-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368258;MM368258;O=CC(O)COC=CCF;ZNCNOMPSFFNWMT-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368259;MM368259;CC#CCC#CC(C)NC;PLRGUJWDVUPTCV-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368260;MM368260;C=CC(F)COC=CCO;BLACXPXNDYBIRU-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368261;MM368261;CC#CCC#CC(C)OC;PUXLVMSVKKPHCY-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368262;MM368262;O=CC(F)COC=CCO;UPQKEILJFVVRNJ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368263;MM368263;C=CC(C)C#CCC#CC;NZXDRVGIFWJXEV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368264;MM368264;O=CC(F)COC=CCF;CCLBTLNETHRDLZ-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368265;MM368265;CC#CCC#CC(C)C=O;RFEYHWYMZXIJNU-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368266;MM368266;C=CC(C)COC=COC;REILFPHYKKGBDC-UHFFFAOYSA-N;142.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368267;MM368267;CC#CCC#CC(C)C#N;KTEKNWSWJTZJNZ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368268;MM368268;C=CC(O)COC=COC;BTHXJVZWELOAEX-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368269;MM368269;C=CC(N)C#CCC#CC;FTECBCSGFSWMJD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368270;MM368270;C=CC(F)COC=COC;PETSJYKVALFDID-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368271;MM368271;C=CC(O)C#CCC#CC;OXMWPKZPYJFTDJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368272;MM368272;COC=COCC(F)C#N;ZWDFSBZGCNZKHF-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368273;MM368273;CC#CCC#CC(O)C=O;VLITYOXUGLMRPS-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368274;MM368274;C=CC(N)COC=NNC;FPADPSAKDIMNIF-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368275;MM368275;CC#CCC#CC(O)C#N;ILYZNKWFICLSEJ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368276;MM368276;C#CC=CCC(O)C=CC;XVRGWLMACJEHMG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368277;MM368277;C=CC(F)C#CCC#CC;MDUJNPAOUULMMA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368278;MM368278;C=CC(C)COC=NOC;MZMVLVDAJYGXNK-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368279;MM368279;CC#CCC#CC(F)C#N;VRTICRDNFDMQPU-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368280;MM368280;CON=COCC(O)C=O;ASSRDURPYVXVQD-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368281;MM368281;C#CC(C)C#CCC#CC;LKYJBTPNMPTPNH-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368282;MM368282;C=CC(F)COC=NOC;JHJGQJHGPWXPOB-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368283;MM368283;C#CC(O)C#CCC#CC;CMWWQCXEMZIZMH-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368284;MM368284;C=CC(C)CON=CCC;DKJRFWMPMYCIQI-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368285;MM368285;C#CC(F)C#CCC#CC;RGYZQFOVRGARKY-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368286;MM368286;C=CC(C)CON=CCN;UZKAPMLAHIRRGD-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368287;MM368287;C=C(C#CCC#CC)CC;ARODDOZOXKPWNT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368288;MM368288;C=C(C(=CC)CC)C(C)O;FBSYYVUEEULEBV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368289;MM368289;C=C(C#CCC#CC)CN;BHCMSNOFDUDWLM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368290;MM368290;C=C(C#CCC#CC)CO;OVKSNVVLLHJWQZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368291;MM368291;C#CCC1=CC(=C)C(O)C1;AHDKVFONKRBEKB-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368292;MM368292;C=C(C#CCC#CC)CF;GNJSSCMCZMZMSR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368293;MM368293;CCC(C)(CO)CCC=O;FDQFDELMDLNUFW-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368294;MM368294;CC#CCC#CC(=O)CC;ZAUQFNSWBNDVQL-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368295;MM368295;C=CC(N)CON=CCN;DOASMBHLBLGNTF-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368296;MM368296;CC#CCC#CC(=O)CO;JJPZMYNXLKYPGD-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368297;MM368297;C=CC(N)CON=CCO;ZQGQRGXVBPUEER-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368298;MM368298;CC#CCC#CC(=N)NC;DOZBUEUXJOCMJS-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368299;MM368299;C#CC1=C(C)C(C)(O)C=C1;ZQPALLRXJBUMCI-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368300;MM368300;CC#CCC#CC(=N)NN;GSIGALSTVDJWJA-UHFFFAOYSA-N;135.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368301;MM368301;C=CC(O)CON=CCN;DJAHWQRQCCFIHO-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368302;MM368302;CC#CCC#CC(=O)NC;FBIYNDHMKCAWKI-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368303;MM368303;C#CC1=CC(O)(CC)C=C1;CLUXFIFYMNGCTC-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368304;MM368304;CC#CCC#CC(=O)NN;YDOBIZRDPJEPIH-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368305;MM368305;N#CC(O)CON=CCO;CYRYGVAGCKAYKJ-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368306;MM368306;CC#CCC#CC(=O)NO;UCEZHLYRWMPIMS-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368307;MM368307;N#CC(O)CON=CCF;CDLHUWDOUSPPCE-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368308;MM368308;C=C(C#CCC#CC)OC;PDTMXPSOZLEEDR-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368309;MM368309;CCC=NOCC(F)C#N;GCYKTRVANNMHOJ-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368310;MM368310;CC#CCC#CC(=O)OC;SSBMPQDJAFBOAF-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368311;MM368311;C=CC(CC(=O)OC)=NN;ZJUNCHFUPMCZKF-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368312;MM368312;C=CC(=C)C#CCC#CC;GBFFRMXECGXEDC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368313;MM368313;C=CC(C)CON=COC;BPRRWPXDVSWGRJ-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368314;MM368314;C=C(C#CCC#CC)C=O;GZGQZGVLWYCKFG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368315;MM368315;COC=NOCC(O)C=O;XYYXWZZXVGNAMQ-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368316;MM368316;C=C(C#N)C#CCC#CC;KBKOXMUNWZRNBQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368317;MM368317;C=CC(F)CON=COC;VUFUVVMMBFSZPR-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368318;MM368318;C=CC(=O)C#CCC#CC;QSWNKFNAYNFXKN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368319;MM368319;C=CC(C)NCC=CCC;ZNHZKYYKSPZDAK-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368320;MM368320;CC#CCC#CC(=O)C=O;SNQUDOQIHHHVRM-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368321;MM368321;C=CC(C)NCC=CCN;BGAIBKYFTOTHPO-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368322;MM368322;CC#CCC#CC(=O)C#N;RKWKBCIYFMPTCK-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368323;MM368323;C=CC(C)NCC=CCO;MPTZNHFSMZAMFA-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368324;MM368324;C#CC(=C)C#CCC#CC;ASHWLHRWLIDWPM-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368325;MM368325;CCC(CC)CCC(C)O;DYNOLYWQCYQCKX-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368326;MM368326;C#CC(=O)C#CCC#CC;XCYBCOZFBLAUMH-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368327;MM368327;COC=CCNC(C)C#N;HOHYBYOIHPONLB-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368328;MM368328;CCC=CC#CC(C)CC;CPNGBFDLMVGHRS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368329;MM368329;C=CC(C)NNC=NOC;NRBGOFKWBILKLL-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368330;MM368330;CCC=CC#CC(C)CN;FCMGWWDMDFHVIE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368331;MM368331;C=CC(C)OCC=CCC;OXWFKXZMQLHEFN-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368332;MM368332;CC(C#CC=CCF)CN;WEISDSWYRKFDET-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368333;MM368333;C=CC(C)OCC=CCN;CDMXYNJVHUEDAT-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368334;MM368334;CCC=CC#CC(C)CO;JEZXVGYHBKPOQE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368335;MM368335;CC(C=O)OCC=CCF;YJNGRWBYDCDPGC-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368336;MM368336;CCC=CC#CC(C)CF;LQTPYEPWOVTTHC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368337;MM368337;CC(C#N)OCC=CCF;LSLMQQLUXYAKBJ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368338;MM368338;CCC=CC#CC(N)CC;MZGMEXFGTFJNSS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368339;MM368339;COC=CCOC(C)C=O;XSIFCPDZLKYCAB-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368340;MM368340;CCC(N)C#CC=CCF;HLDPTPNZBFOXKE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368341;MM368341;COC=CCOC(C)C#N;KEPMGDZXSYWSMO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368342;MM368342;CCC=CC#CC(N)CN;OUHWSELJEWXSHI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368343;MM368343;C=CC(C)OCC=NNC;BTTVRWGUPXODHF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368344;MM368344;NCC=CC#CC(N)CN;AWSGPDOUEALJAK-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368345;MM368345;C=CC(C)OCC=NOC;LVNNDQJRNGQMEX-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368346;MM368346;CCC=CC#CC(N)CO;YUEVOEDIFITFAZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368347;MM368347;CCC(CO)CCC(C)O;QJZNFTWNCBRRRA-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368348;MM368348;CCC=CC#CC(O)CC;UGHYJYHEVKHWIL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368349;MM368349;C=CC(C)ONC=NOC;WPJQGAGOUXNEOW-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368350;MM368350;CCC=CC#CC(O)CN;RCFZPVFOBHNENB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368351;MM368351;C#CC(C#C)CCC(C)O;CNERZWZCWBDEOI-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368352;MM368352;CCC=CC#CC(O)CO;JADCZGIPHIOWSO-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368353;MM368353;CCC=CCCN(C)C=N;KLTYYWIEVGYCQL-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368354;MM368354;OCC=CC#CC(O)CO;QMDIDXKNUNIOKU-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368355;MM368355;CN(C=N)CCC=CCF;HZTWDTWXLAADTI-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368356;MM368356;CCC=CC#CC(O)CF;DNYWYUGUTMNEEH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368357;MM368357;CCC=CCCN(C)C=O;CPWWNYSKEHWWQQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368358;MM368358;CCC=CC#CC(F)CC;GDJUUDRLUXAWKK-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368359;MM368359;CN(C=O)CCC=CCN;NFZFTQRJYBQNRO-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368360;MM368360;CCC=CC#CC(F)CN;GHKZZKNCZQBVLP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368361;MM368361;CCC(C)(CC)C1CC1O;YJOSUDLUFMPBEC-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368362;MM368362;NCC=CC#CC(F)CF;BQKNQSYYAPZMOH-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368363;MM368363;CCC=CCCN(N)C=N;FNXKERCMNFUMGU-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368364;MM368364;COC=CC#CC(N)CN;RBHHTYCMSBJFFM-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368365;MM368365;N=CN(N)CCC=CCO;DIKMRAOUCITQJO-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368366;MM368366;CCC(O)C#CC=COC;OGNLSFISSYQNNS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368367;MM368367;N=CN(N)CCC=CCF;IFWYFRNHGYYJOT-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368368;MM368368;COC=CC#CC(O)CN;OYGMWPDAFOZWSK-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368369;MM368369;CCC=CCCN(N)C=O;DHBGNEJYRBCNHH-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368370;MM368370;COC=CC#CC(O)CO;DLFJUUAAAXLNDB-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368371;MM368371;CCC=CCCN(O)C=O;ZMDNWQQNPMSGFR-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368372;MM368372;COC=CC#CC(F)CO;OVIZXFKWYXATFE-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368373;MM368373;COC=CCCN(C)C=N;GJIYOEMEXPWCEZ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368374;MM368374;CCC(N)C#CC=NNC;GKTQNRADLJOLLO-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368375;MM368375;COC=CCCN(C)C=O;FXBFDWVCSMVVDK-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368376;MM368376;CNN=CC#CC(N)CN;HCPBSHIPKVTIJH-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368377;MM368377;COC=CCCN(N)C=O;NNMWUYRYHQIDCK-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368378;MM368378;CNN=CC#CC(O)CN;XYPAUZQMDHPFHG-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368379;MM368379;CNN=CCCN(C)C=N;RRMAWLMSJWTVED-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368380;MM368380;CNN=C(NN)C(=O)OC;AZOFAHPVMIPMKD-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368381;MM368381;C=NN(C)CCC=CCC;MBFQDOBDHMUJPP-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368382;MM368382;C=CCC(CO)CCCC;LAMUJAUIMMCRML-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368383;MM368383;C=NN(C)CCC=COC;ZGWUPOZRMZWVRI-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368384;MM368384;CON=CC#CC(N)CN;NXUJFXGDWBRSPR-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368385;MM368385;CCC=CCNN(C)C=N;MRBFADMAFZDKHP-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368386;MM368386;C=CC(C(C)C)C(C)CO;XUOMIPRAUUGPBD-UHFFFAOYSA-N;142.24;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368387;MM368387;CN(C=N)NCC=CCN;XFJMGRREYXLPDY-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368388;MM368388;CON=CC#CC(O)CN;JTEGXNIJDBUDDR-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368389;MM368389;CCC=CCNN(C)C=O;ICMFVUSSJAXCRT-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368390;MM368390;CCC=CC#CC(C)NC;XJOSMZXPJNBITC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368391;MM368391;CN(C=O)NCC=CCN;JJAQOYFAZIZZMH-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368392;MM368392;CNC(C)C#CC=CCF;XBOJVVMGVGSMON-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368393;MM368393;COC=CCNN(C)C=O;NBFXDBCFOULJCD-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368394;MM368394;CNN=CC#CC(C)NC;IMKCTZWSDMCMLO-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368395;MM368395;CNN=CCNN(C)C=N;BKARHHJTFUPMSO-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368396;MM368396;CCC=CC#CC(C)OC;FBGJLBGGXNHTQX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368397;MM368397;CNN=CCNN(C)C=O;KBOPXFNBEYVQEK-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368398;MM368398;CNN=CC#CC(C)OC;LUXITHIHPBYKAR-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368399;MM368399;CCC=CCON(C)C=O;REFGWZCPSYZXEP-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368400;MM368400;CON=CC#CC(C)OC;PWOOZRNBLIWTEH-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368401;MM368401;CN(C=O)OCC=CCO;LSFKUCVJQTXGHX-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368402;MM368402;C=CC=CC#CC(C)CC;COLWHHWBMPEBEZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368403;MM368403;CN(C=O)OCC=CCF;VUUYKAFDMXIPRE-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368404;MM368404;CC(C#CC=CC#N)CO;OFPJMFFPULIEKS-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368405;MM368405;CON=CCON(C)C=N;DRMUTBPJHPEDDH-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368406;MM368406;C=CC=CC#CC(C)CF;BVUPUAUNPRMHLR-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368407;MM368407;C=CC=CCCC(C)C=C;DZWPXXHMQOGMMC-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368408;MM368408;CC(C#CC=CC=O)CF;RCCGEWNPPHRLNR-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368409;MM368409;C=CC(C)CCC=CC=O;ACXOBBMKLOPITE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368410;MM368410;CC(C#CC=CC#N)CF;WQEREFFGHOZERY-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368411;MM368411;C=CC(C)CCC=CC#N;AOJYXOMSXPMLQO-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368412;MM368412;C=CC=CC#CC(N)CC;OEYYHRGYZUVABU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368413;MM368413;C=CC=CCCC(C)C=O;FRBYGBLCKOKWCV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368414;MM368414;C=CC=CC#CC(N)CO;PIFVZCYUDPEYLL-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368415;MM368415;C=CC=CCCC(C)C#N;JSFQHORADMGBJU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368416;MM368416;C=CC=CC#CC(O)CC;VGFVRIRWVISUSG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368417;MM368417;CC(C=O)CCC=CC#N;KONKRNAFZFQXTC-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368418;MM368418;CCC(O)C#CC=CC#N;HYLSAVCLKWSXCD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368419;MM368419;CC(C#N)CCC=CC=O;BHNVUHWSMAXPJC-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368420;MM368420;C=CC=CC#CC(O)CN;IISNXQBLEOHEPF-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368421;MM368421;CC(C#N)CCC=CC#N;WSGLPAIZQLWHFW-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368422;MM368422;C=CC=CC#CC(O)CO;JXSOYECZYHPHKE-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368423;MM368423;C=CC=CCCC(N)C=C;IHNCXOLOIFEFJI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368424;MM368424;C=CC=CC#CC(O)CF;ZWXTYTLSSICLAD-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368425;MM368425;C=CC(O)CCC=CCC;LVQCRSHIONXSCD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368426;MM368426;C=CC=CC#CC(F)CC;YOHVPDOCELVBSI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368427;MM368427;C=CC=CCCC(O)C=C;QENAUVCYOGUTBF-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368428;MM368428;CCC(F)C#CC=CC=O;ZFPLDIUENTYJHS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368429;MM368429;C=CC(O)CCC=CC=O;FXJBQEHNRYVUEK-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368430;MM368430;C=CC=CC#CC(F)CO;AGJNYQZATNUBOC-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368431;MM368431;C=CC=CCCC(O)C#N;QGGANWUZPZGLOE-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368432;MM368432;N#CC=CC#CC(F)CF;SPLZCTCJWJDXBT-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368433;MM368433;C=CC(F)CCC=CC=O;BWSAQUIIXNBHOT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368434;MM368434;C=NN=CC#CC(N)CN;SNMDJDNSTGRLQB-UHFFFAOYSA-N;138.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368435;MM368435;C=CC(F)CCC=CC#N;YCBUUDBORFGEMG-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368436;MM368436;C=NN=CC#CC(O)CC;WWTJKRZZMIYKJC-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368437;MM368437;C=CC=CCCC(F)C#N;DECLEBBEGUWHDI-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368438;MM368438;C=NN=CC#CC(O)CN;VDAUXIGBBQEMBD-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368439;MM368439;N#CC=CCCC(F)C#N;DRIAMRCDZBVEBV-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368440;MM368440;C=NN=CC#CC(F)CO;XOXKOTZBZLKUBT-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368441;MM368441;C=CC(C)CCC=NN=C;YZBLVPUEPPJASR-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368442;MM368442;C=CC=CC#CC(C)NC;IYAJALLYYPNNNU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368443;MM368443;C=CC(O)CCC=CC#N;VLELCARMGUHWJB-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368444;MM368444;CNC(C)C#CC=CC=O;AUJQZLHMESIHMJ-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368445;MM368445;C=NN=CCCC(C)C#N;AFKSUUDETCAFTQ-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368446;MM368446;CNC(C)C#CC=CC#N;BLHPKWUZZJXPME-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368447;MM368447;C=CC(O)CCC=NN=C;AQEFZAIEEYMOGK-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368448;MM368448;C=CC=CC#CC(C)OC;FXVQDGRFZRPPDO-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368449;MM368449;C=NN=CCCC(O)C=O;JSEGYOVQLTXQDZ-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368450;MM368450;COC(C)C#CC=CC#N;AGQUHCLZTAPASX-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368451;MM368451;C=NN=CCCC(F)C#N;PLESFSSKSVPHEK-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368452;MM368452;C=NN=CC#CC(C)OC;LHYJWLARKDTZIP-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368453;MM368453;C=CC(C)CNC=CC=O;XQNNZAUWLVNZIT-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368454;MM368454;C#CC=CC#CC(C)CC;RHZLXEBRCZRFDI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368455;MM368455;N#CC(O)CNC=CC=O;VDHZXEBTHPENFW-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368456;MM368456;C#CC=CC#CC(C)CN;HXNYXSXMMSGWAR-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368457;MM368457;N#CC=CNCC(O)C#N;CVVLGXTWAFAQDO-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368458;MM368458;C#CC=CC#CC(C)CO;WSHLFLNCFXJEDS-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368459;MM368459;C=CC(F)CNC=CC#N;WCNQQRHNSQXWMI-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368460;MM368460;C#CC=CC#CC(C)CF;KGMQIDHRLABHQF-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368461;MM368461;CCC(C)OC=NNC=N;ZVNMZMRBHWMYED-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368462;MM368462;C#CC=CC#CC(N)CC;JPADDQOHPDYBNL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368463;MM368463;C=CC(O)CN=CNC=N;JKUAMNXSPSELGR-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368464;MM368464;C#CC=CC#CC(N)CN;CILAOQRCWKMXOL-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368465;MM368465;C=CC(O)CN=CNC=O;BUTWEAGBWGBVDG-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368466;MM368466;C#CC=CC#CC(O)CC;ARINQXXCUXVGPJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368467;MM368467;C=CC(F)CN=CNC=N;OGDZPXGHKUJQSX-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368468;MM368468;C#CC=CC#CC(O)CN;NJXOPNPZSBPNFG-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368469;MM368469;CC(CF)OC=NNC=N;FTFPHNIUTFSQGY-UHFFFAOYSA-N;147.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368470;MM368470;C#CC=CC#CC(O)CO;PHJCRJVYASNANP-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368471;MM368471;C=CC(C)OC=NNC=N;LGMAFZVFUDBPEQ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368472;MM368472;C#CC=CC#CC(F)CC;DXVSIBKQIWXBKM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368473;MM368473;C=NN(C)CC#CCC=O;OBUVDUVNJPABMI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368474;MM368474;C#CC=CC#CC(F)CN;DGBHMUWQQOBLNJ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368475;MM368475;CCC=CC=CC(O)CC;YIBGZEIAAJPPJP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368476;MM368476;C#CC=CC#CC(F)CO;TVBBUKVIQULZEF-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368477;MM368477;CCC(O)C=CC=CC=O;GSGBUKPWVLQQLC-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368478;MM368478;C#CC=CC#CC(F)CF;BQYUTUBRJINLMG-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368479;MM368479;CCC(O)C=CC=CC#N;WBZNWDUDSCDMFB-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368480;MM368480;C#CC=CC#CC(C)NC;LOCDQMFVSCPSNK-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368481;MM368481;CC(C=O)CNN=CC#N;DYZDTJCUHVTJLK-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368482;MM368482;C#CC=CC#CC(C)OC;IBISWMDNDNXWHW-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368483;MM368483;C#CC(C)C(C=O)NN=C;AHVLADWMFDYWAO-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368484;MM368484;C=CC(C)C#CC=CCC;CBCRXEIUDOPXAA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368485;MM368485;C=CC=NNCC(N)C=C;TWPWJUYLYINNEM-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368486;MM368486;CCC=CC#CC(C)C#N;JVUOWPQZISOQCB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368487;MM368487;C#CCC(C#C)C(C)CO;HSFGFQDMGFJKMR-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368488;MM368488;CC(C#N)C#CC=CCO;IMRVUFCSPYFZEK-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368489;MM368489;C=C(C#N)C(C=O)NCC;YPRTXXLVXUTLFQ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368490;MM368490;CC(C#N)C#CC=CCF;COGJFQVICYSDPB-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368491;MM368491;O=CC=NNCC(O)C=O;TZCJXXDCFVSOIF-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368492;MM368492;C=CC(N)C#CC=CCC;NFKFLEAWOJOHBU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368493;MM368493;C=CC=NNCC(F)C=C;JGQHBAMGBJCIDZ-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368494;MM368494;C=CC(N)C#CC=CCF;SSSDQTAICZOVDO-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368495;MM368495;C=CC(F)CNN=CC#N;IOSWHQJWXADTTK-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368496;MM368496;C=CC(O)C#CC=CCC;YARYIFZVKFICOK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368497;MM368497;C=CC=COCC(C)C=C;IXCDQNYKAZFGBW-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368498;MM368498;C=CC(O)C#CC=CCN;KSFBRNVDPOJCES-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368499;MM368499;C=CC=COCC(C)C=O;OEHDNDIXHWDRDJ-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368500;MM368500;C=CC(O)C#CC=CCF;BVUYKETXKGCYIT-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368501;MM368501;C=CC=COCC(C)C#N;SNIRJYZEUDUIKN-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368502;MM368502;CCC=CC#CC(O)C=O;QRSXBUWCCUEFOT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368503;MM368503;CC(C=O)COC=CC=O;SUELRXSKYTZXBL-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368504;MM368504;O=CC(O)C#CC=CCO;MEUICPOUVWGMHG-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368505;MM368505;CC(C=O)COC=CC#N;OHEKJTUFXYSPIN-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368506;MM368506;O=CC(O)C#CC=CCF;QOUJWDCZQLOSLC-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368507;MM368507;C=CC=COCC(N)C=C;XMAZBFRBWJOCTA-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368508;MM368508;C=CC(F)C#CC=CCC;DRIBIPVNMRNSGA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368509;MM368509;C=CC(O)COC=CC#N;JYPAQDQAMFWRNT-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368510;MM368510;O=CC(F)C#CC=CCO;XXWKNBWSBUTIKK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368511;MM368511;C=CC=COCC(O)C=O;APMXKPZRCGTTPA-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368512;MM368512;O=CC=COCC(O)C=O;HCTNVNYUWOFPCR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368513;MM368513;O=CC(F)C#CC=CCF;RKAOQAFPRFVKNC-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368514;MM368514;N#CC=COCC(O)C=O;CVLRJGGNTSCKHS-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368515;MM368515;N#CC(F)C#CC=CCF;HAGSSIZBPPBPPY-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368516;MM368516;N#CC(O)COC=CC=O;WGDGHDLLZMLRFX-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368517;MM368517;COC=CC#CC(C)C#N;WILXVRCVBBPOLA-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368518;MM368518;C=CC=COCC(F)C=C;YWUGRAKFBDYOAN-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368519;MM368519;COC=CC#CC(O)C=O;ICODRWAXCRISBJ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368520;MM368520;C=CC(F)COC=CC=O;ZOSVRKYNLSQBRO-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368521;MM368521;COC=CC#CC(O)C#N;QHOXKFYPEAQDFB-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368522;MM368522;C=CC(F)COC=CC#N;AOAJKQLRVHMXPR-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368523;MM368523;COC=CC#CC(F)C=O;PBAKWMCYYVRKOM-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368524;MM368524;C=CC=COCC(F)C=O;IVHCASPNFZUKOP-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368525;MM368525;COC=CC#CC(F)C#N;FIBKGRUQYMZCPL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368526;MM368526;C=CC=COCC(F)C#N;BBISUIDWPXXHSH-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368527;MM368527;CC1C(O)C1C1CC1(C)C;NCBRPXXPALYZCE-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368528;MM368528;C#CCC(CO)CCC=O;WYFSJNXJLCFTHC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368529;MM368529;CNN=CC#CC(C)C#N;QNNDAWDLUBFKLN-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368530;MM368530;C=CC(O)COC=NN=C;GOLXLUREDKELIR-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368531;MM368531;CC=CCCC(CC)CO;KCMKDBXOHXIHKL-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368532;MM368532;C=CC(F)COC=NN=C;BVGZLGMXNJQMOU-UHFFFAOYSA-N;144.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368533;MM368533;CNN=CC#CC(O)C=O;ZCCLMGCLXIVTEN-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368534;MM368534;C=NN=COCC(F)C#N;UVQQIVYKHWVFAE-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368535;MM368535;CNN=CC#CC(O)C#N;WPCFMNIQXUGYIA-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368536;MM368536;C=CC=NOCC(C)C=C;RNNQQOOGBMRUAQ-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368537;MM368537;CCC=NOC(C=O)CC;RBOSQQWWYOAISO-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368538;MM368538;C=CC(C)CON=CC#N;JHEDJRNIJISHAQ-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368539;MM368539;CON=CC#CC(C)C#N;YNVVTYIGYVSRHX-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368540;MM368540;C=CC=NOCC(C)C#N;NGRREBGHYUXPRE-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368541;MM368541;C=CC(F)C#CC=NOC;INNLUUBWMLHBGS-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368542;MM368542;CC(C=O)CON=CC#N;DPKBJVDOKNCFPJ-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368543;MM368543;CC#CCCC1(CO)CC1;GYWRHPXGDQNGHI-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368544;MM368544;CC(C#N)CON=CC=O;FVLDZBZCAONPHC-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368545;MM368545;C=CC=CC#CC(C)C=C;FKEHMMQJQDJTPT-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368546;MM368546;C=NN=CC(C=O)C(C)C;NXBQGTJDPADLGQ-UHFFFAOYSA-N;140.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368547;MM368547;C=CC(C)C#CC=CC=O;XFVVWEBUTLDTRV-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368548;MM368548;O=CC=C1NN=C(C=O)N1;HMZKVNKZWXWFHK-UHFFFAOYSA-N;139.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368549;MM368549;C=CC(C)C#CC=CC#N;NVDHJAHSSAOAKO-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368550;MM368550;C=CC=NOCC(F)C=C;WMEUJPONYSYLBX-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368551;MM368551;C=CC=CC#CC(C)C=O;IQCVLUGPFOCFRK-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368552;MM368552;C=CC(F)CON=CC#N;IPTPBQYGIJZIQE-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368553;MM368553;C=CC=CC#CC(C)C#N;LPZPUMVZQUONJM-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368554;MM368554;C=CC=NOCC(F)C#N;CNXXNKQDIDLJCI-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368555;MM368555;CC(C#CC=CC#N)C=O;AEOWJFPBXUFITN-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368556;MM368556;C=CC=CCNC(C)C=C;RKAMAVWZYQIROW-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368557;MM368557;CC(C#N)C#CC=CC#N;BOHZPIVKWSMVID-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368558;MM368558;C=CC(C)NCC=CC=O;QNJZGYOGKLYBBY-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368559;MM368559;C=CC=CC#CC(N)C=C;NRRUZDYKIURXGH-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368560;MM368560;C=NN=CCNC(C)C#N;BEKXZDWRINOIDW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368561;MM368561;C=CC=CC#CC(O)C=C;PSTOSYIFJVZBEI-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368562;MM368562;CC(C#N)NN=CNC=N;RFJZAGYFGGZJSW-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368563;MM368563;C=CC(O)C#CC=CC=O;CAIYUGWKSRJBQM-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368564;MM368564;C=CC(C)OCC=CC=O;NXZIAVNMGGGYBO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368565;MM368565;C=CC=CC#CC(O)C=O;OXFUEZKJXGFMKA-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368566;MM368566;C=CC=CCOC(C)C=O;UVUBFJOWJVIKKO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368567;MM368567;N#CC=CC#CC(O)C#N;WRQAZVGIQLJLKZ-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368568;MM368568;C=CC=CCOC(C)C#N;OXLGFWIOKGNLAJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368569;MM368569;C=CC=CC#CC(F)C=C;GXKSUMHZIPKXBM-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368570;MM368570;CC(C=O)OCC=CC#N;FCIUYMWMGKAYJA-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368571;MM368571;C=Cc1nc(NCC)co1;AKEHGBPEFZSGSY-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368572;MM368572;C=CC(F)C#CC=CC#N;UBZPOPFLVUXYIK-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368573;MM368573;C=NN=CCOC(C)C#N;YCUHSIPYSVSCNG-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368574;MM368574;C=CC=CC#CC(F)C#N;ADRHINBJJIMMJM-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368575;MM368575;C=CC=CCCN(C)C=O;USEQTUXAUJJOLX-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368576;MM368576;N#CC(F)C#CC=CC=O;XNLRIFZKMKAPOH-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368577;MM368577;C=CC=CCCN(N)C=O;VDPPYYMZFRUCBI-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368578;MM368578;N#CC=CC#CC(F)C=O;BATNLADXPDNTSY-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368579;MM368579;O=CC=CCCN(O)C=O;YQHZXBFNSSGMKA-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368580;MM368580;N#CC=CC#CC(F)C#N;SZZNGFFAVWCAEA-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368581;MM368581;C=NN=CCCN(N)C=N;SBDLRDXAGKYBJY-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368582;MM368582;CCNc1coc(CC)n1;KANLHXDJTQEWAL-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368583;MM368583;C=CC=CCCN(C)N=C;OCJNTXQHINPXOY-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368584;MM368584;C=NN=CC#CC(C)C#N;LMMWNYGVTIYFOV-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368585;MM368585;C=CC=CCNN(C)C=N;FZONXSUBXLFPBV-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368586;MM368586;C=NN=CC#CC(O)C=O;GPDNCJUOLQMUJP-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368587;MM368587;C=CC=CCNN(C)C=O;MKOSZOGLXKCYSH-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368588;MM368588;C=NN=CC#CC(O)C#N;MAUBUCTWNRMXRH-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368589;MM368589;C=NN=CCNN(C)C=O;NJOKKQNKEUDCCA-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368590;MM368590;C=NN=CC#CC(F)C=O;HVIBEDUJNJOSDT-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368591;MM368591;CN(C=N)OCC=CC=O;VUEXTPPROGNHSR-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368592;MM368592;C=NN=CC#CC(F)C#N;HNIDANPUEOCDNR-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368593;MM368593;C=NN=CCON(C)C=N;HHCUYXJHWODCCN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368594;MM368594;C#CC=CC#CC(C)C=C;LENBUGITRXBSOZ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368595;MM368595;C=NN=CCON(C)C=O;JQIKDPDWVMKBOQ-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368596;MM368596;C#CC=CC#CC(C)C=O;DOCYDFSDXBHTJK-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368597;MM368597;C#CC=CCCC(C)C=C;ABHHJTNBAMEKKA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368598;MM368598;C#CC=CC#CC(C)C#N;JBFLEZQHLCVQPK-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368599;MM368599;C#CC=CCCC(C)C=O;AZXHHTLQMKAKJB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368600;MM368600;C#CC=CC#CC(N)C=C;ZRHMQROWOMORNK-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368601;MM368601;C#CC=CCCC(C)C#N;FXIGMIXVUMRVIY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368602;MM368602;C#CC=CC#CC(O)C=C;FOWLCEHVAYQZFU-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368603;MM368603;C#CC=CCCC(N)C=C;RCTYHBCFSHJUNU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368604;MM368604;C#CC=CC#CC(O)C#N;BZVPCBJKAYIQNX-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368605;MM368605;C#CC=CCCC(O)C=O;AKDARLWGOWNFMK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368606;MM368606;C#CC=CC#CC(F)C=C;VXUXJOWZLWSHFK-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368607;MM368607;C#CC=CCCC(F)C=C;KPZDZCGWHOGUSH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368608;MM368608;C#CC=CC#CC(F)C=O;NWQDPAFENOAHAV-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368609;MM368609;C#CC=CCCC(F)C=O;LUMORJLRCOIAJR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368610;MM368610;C#CC=CC#CC(F)C#N;JYBXXAVZRJNSJV-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368611;MM368611;C#CC=NNCC(F)C=C;CWEGNVHQQYHRQC-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368612;MM368612;C#CC(C)C#CC=CCC;CXUMCORKJBBWJH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368613;MM368613;C#CC=COCC(C)C=O;MRZSPPKQYGUMEK-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368614;MM368614;C#CC(O)C#CC=CCC;UBKHMMGANQJJGW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368615;MM368615;C#CC=COCC(C)C#N;SNXXEHLEMSLEAQ-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368616;MM368616;C#CC(F)C#CC=CCC;ISCKIMNYXOKDKH-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368617;MM368617;C#CC=COCC(N)C=C;VOJBTNAEBQFNRE-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368618;MM368618;C#CC(O)C#CC=COC;POOOEKMBLURZHH-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368619;MM368619;C#CC=COCC(O)C=C;ZTWQOTRMLYVFDX-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368620;MM368620;C#CC(F)C#CC=COC;HLARVSRRVVWTEQ-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368621;MM368621;C#CC=COCC(F)C=C;KOEQLWYHTZPLPX-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368622;MM368622;C#CC(C)C#CC=NNC;KDAHBSCXBMNESM-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368623;MM368623;C#CC=COCC(F)C#N;WHWUQULRIXSDOD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368624;MM368624;C#CC=NOCC(C)C=C;QVMJMCPQQOPOLB-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368625;MM368625;C#CC(F)C#CC=NNC;MCBMOTGHGQOLHU-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368626;MM368626;CCC1=C(C)CC(CO)C1;NRCYGLQQJBJRMR-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368627;MM368627;C#CC(F)C#CC=NOC;MQKKHOBFYLLRTQ-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368628;MM368628;C=C(C(=C)C1CC1)C(C)O;REXBTGQOBUAKHQ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368629;MM368629;C#CC(C)C#CC=CC=C;MWRDPUFABFMYPY-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368630;MM368630;C#CC=NOCC(F)C=C;FKINWSQTCYLHHY-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368631;MM368631;C#CC(C)C#CC=CC#N;ZIXRXGNMLZNTRP-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368632;MM368632;C#CC=NOCC(F)C#N;MPDFXLBVMLTGRE-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368633;MM368633;C#CC(O)C#CC=CC=C;RQOZHSRSORUNHD-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368634;MM368634;C#CC=CCNC(C)C=C;RZMPCZHSRUUPNV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368635;MM368635;C#CC(F)C#CC=CC=C;LVLIEVCPLGHSDV-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368636;MM368636;C#CC=CCNC(C)C#N;IUSPKNXVNVFODK-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368637;MM368637;C#CC(F)C#CC=CC#N;BDZOUBVDCYLIET-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368638;MM368638;C#CC=CCOC(C)C=O;DZSUBAGPFLHQFZ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368639;MM368639;C#CC(O)C#CC=NN=C;JCAPFCUDDYDBHH-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368640;MM368640;C#CC=CCOC(C)C#N;ZNSSGOGYZCOANS-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368641;MM368641;C#CC(F)C#CC=NN=C;MXTCVVLTDALYIN-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368642;MM368642;C#CC=CCCN(C)C=N;RORCDENXINGBRN-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368643;MM368643;C#CC=CC#CC(C)C#C;HULXAESFLMQAQX-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368644;MM368644;C#CC=CCCN(C)C=O;JFRRTRJGUWBOHA-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368645;MM368645;C#CC=CC#CC(O)C#C;WIBGNKSOFOUHMT-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368646;MM368646;C#CC=CCCN(N)C=N;REIAHOCBBIQDAG-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368647;MM368647;C#CC=CC#CC(F)C#C;WAQNRAAKKSSDGN-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368648;MM368648;C#CC=CCCN(O)C=O;WYWUTUKSURIUBA-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368649;MM368649;C=C(C#CC=CCC)CC;FCPMYVXHELZXGT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368650;MM368650;C#CC=CCCN(C)N=C;JBTMJAKOKMUIIL-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368651;MM368651;C=C(C#CC=CCC)CN;MWRXSRCZJLYUKF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368652;MM368652;C#CC=CCON(C)C=O;WHGHHGZFMXPQBK-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368653;MM368653;C=C(C#CC=CCC)CO;FRUGBCWFQPNYKF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368654;MM368654;C#CC(C)CCC=CCC;VGFQBYJIMNKYKZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368655;MM368655;C=C(C#CC=CCF)CO;BKSWVJZGBLKZIS-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368656;MM368656;C#CC(C)CCC=CCN;FNTLLADMAAZPNM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368657;MM368657;C=C(C#CC=CCC)CF;SQRPNVRCOVFPPR-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368658;MM368658;C#CC(C)CCC=CCO;UURCKORTCBSLIR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368659;MM368659;CCC=CC#CC(=O)CC;MJTKAZOPFFRJIP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368660;MM368660;C#CC(C)CCC=CCF;SNBQEPRJMZTJGI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368661;MM368661;CCC=CC#CC(=O)CO;OXJJYFFYJGMBSU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368662;MM368662;C#CC(N)CCC=CCC;JMDLHZOBJRWJCG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368663;MM368663;O=C(C#CC=CCF)CO;PBATXULCCITWBO-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368664;MM368664;C#CC(O)CCC=CCO;XTJVVUZGDDZNND-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368665;MM368665;C=C(C#CC=COC)CN;SCWTWMBVSDVBLD-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368666;MM368666;C#CC(F)CCC=CCC;NPVFVFXSNGUTFD-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368667;MM368667;C=C(C#CC=COC)CO;YPEQPHQVAABFEG-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368668;MM368668;C#CC(C)CNC=NCC;LXEWJRKKIWFITH-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368669;MM368669;C=C(C#CC=COC)CF;UTNAESWJLKBCPD-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368670;MM368670;C#CC(C)CNC=NOC;PPIYNFDGPAQJGO-UHFFFAOYSA-N;140.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368671;MM368671;CCC(=O)C#CC=COC;YCQPEOJSZYAPKO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368672;MM368672;CCc1noc(C=O)c1N;ZARFAJAEAGKHHD-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368673;MM368673;COC=CC#CC(=O)CO;RWKLEYPGQHBRNL-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368674;MM368674;C#CC(F)CNC=NOC;UIOPHYVETUKPOC-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368675;MM368675;COC=CC#CC(=O)CF;KXPCBIGBDMXOPQ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368676;MM368676;C#CCC1=CCC(O)C1=C;DNESPMDFZFZLOX-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368677;MM368677;C#CC1=CCC(CO)C1=C;BAKSZKPJBAHBAA-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368678;MM368678;CCCC(=O)C1NC1CF;JDZYBPSDULGZLG-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368679;MM368679;CCC(=O)C#CC=NNC;PEVWLUFBWPJJEE-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368680;MM368680;CC=CCOC=NNC=N;YUXOYXVIUCUUBZ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368681;MM368681;C#CC(C)COC=CCO;ZDBZIONELCXCBU-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368682;MM368682;CC1C(C)C1C1C(C)C1O;HHFHQAHZEAYAIY-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368683;MM368683;C#CC(C)COC=CCF;WZPWTZJIMVBOHG-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368684;MM368684;C=CC#CCC(O)C1CC1;ALYMLVKOXZTRKK-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368685;MM368685;C#CC(O)COC=CCO;FPLIDOCOBMYXNC-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368686;MM368686;C=C(C#CC=NOC)CC;ORMTVMQLIYGDGQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368687;MM368687;C#CC(C)COC=COC;UPTAPLPFCMYJDF-UHFFFAOYSA-N;140.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368688;MM368688;CCC(=O)C#CC=NOC;LXIGIJYNZKKGQX-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368689;MM368689;C#CC(F)COC=COC;YAJZPKLZEBJQGM-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368690;MM368690;CCC=CC(C)(C)O;ITIFCBAIIXZGGT-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368691;MM368691;N=CNN=COCC=CF;GKOMJEUUEFGZPD-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368692;MM368692;CCC=CC#CC(=N)NC;NRDPCWUDYJKAME-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368693;MM368693;C#CC(C)COC=NOC;QOYPEXVGXVBFHJ-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368694;MM368694;CCC=CC#CC(=N)NN;OEWFDYQTPFCZOT-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368695;MM368695;C#CC(O)COC=NOC;WCDWDKISWIRHGE-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368696;MM368696;N=C(C#CC=CCN)NO;PCEXBOQNFZCVAN-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368697;MM368697;C#CC(F)COC=NOC;OIFIOJPVJXFNBS-UHFFFAOYSA-N;145.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368698;MM368698;CCC=CC#CC(=O)NC;TVBCARXILRWILF-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368699;MM368699;C#CC(C)CON=CCC;UKRFRWUMMNMEIS-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368700;MM368700;CNC(=O)C#CC=CCN;FQEZSKBCXXZJFF-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368701;MM368701;C#CC(C)CON=CCN;MVEWCDTVXFGYHX-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368702;MM368702;CCC=CC#CC(=O)NN;IGVYGWXXOMAUQR-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368703;MM368703;CC#CCOC=NNC=N;ULPQOBINJXJLRO-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368704;MM368704;NNC(=O)C#CC=CCO;QCKCRNSVLKDOQA-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368705;MM368705;C#CC(N)CON=CCN;GDNPMSNDOISCFQ-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368706;MM368706;NNC(=O)C#CC=CCF;JZDWWPITFPUXBV-UHFFFAOYSA-N;142.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368707;MM368707;CC=NNCC#CCC=O;JPUUVSDZIOSNPL-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368708;MM368708;CCC=CC#CC(=O)NO;XDJDIUDUCDLPHP-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368709;MM368709;C=C(CC)C(C)CO;BOESDISDPTWALM-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368710;MM368710;NCC=CC#CC(=O)NO;NHTLGHYSTQILDS-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368711;MM368711;C#CC(C)CON=COC;AWAQKFDIQOCRLK-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368712;MM368712;O=C(C#CC=CCO)NO;VMFLAQMDBPCLBP-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368713;MM368713;C#CC(O)CON=COC;HQIPYLLLCGJYSG-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368714;MM368714;CC1C(CO)C1(C)C;SIFLEUDKOSRPAP-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368715;MM368715;CC=C(C)C(C)CO;LLZSFWXLMHONIT-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368716;MM368716;C=C(C#CC=CCC)OC;NRRRBVGLQDELPA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368717;MM368717;C#CC(C)OCC=CCC;MKXVPTSQMLMOHO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368718;MM368718;CCC=CC#CC(=O)OC;ZODSHHPOZCVRAB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368719;MM368719;C#CC(C)OCC=CCN;FGFMKWCFAQTYBQ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368720;MM368720;C=C(C#CC=COC)OC;JFVOZYBBMGKYEK-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368721;MM368721;C#CC(C)OCC=CCO;FCGUITNSCJZAQJ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368722;MM368722;COC=CC#CC(=O)OC;AKWQWTYYURNWAU-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368723;MM368723;C#CC(C)OCC=COC;PDXRHHCIPJTYAG-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368724;MM368724;C=C(C#CC=NOC)OC;LLPRQMMBFWXGHJ-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368725;MM368725;C#CC(C)OCC=NOC;VTFJHFPYPZPPGX-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368726;MM368726;CON=CC#CC(=O)OC;VYJWHMHHYRIJQB-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368727;MM368727;C#CCC(CC)CO;MJBAXOIZKBGLQY-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368728;MM368728;C=CC=CC#CC(=C)CC;PLYHWXXVADCIRP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368729;MM368729;C#CC(C)CCC=CC=C;RHHHYFVFEMPVAC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368730;MM368730;C=C(C#CC=CC#N)CC;ZXZLWDDNGMIAKE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368731;MM368731;C#CC(C)CCC=CC=O;YPBNQYHJNREBKJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368732;MM368732;C=CC=CC#CC(=C)CN;MYRFFWUFLAGLJT-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368733;MM368733;C#CC(C)CCC=CC#N;QZCFYGGGSBJISB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368734;MM368734;C=CC=CC#CC(=C)CO;IQOIOHIFRCCFAH-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368735;MM368735;C#CC(N)CCC=CC=C;ROQPKBBXNNKYOQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368736;MM368736;C=C(C#CC=CC=O)CO;URVIOXMHVRHSQZ-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368737;MM368737;C#CC(O)CCC=CC=O;SKIFDVDZZBVYLH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368738;MM368738;C=CC=CC#CC(=C)CF;SYLWDYTVCZJSOH-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368739;MM368739;C#CC(F)CCC=CC=C;HXSNWEYAEWUNFW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368740;MM368740;C#CC(F)CCC=CC#N;GOSSITOGXKHCQZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368741;MM368741;C=C(C#CC=CC=O)CF;CAKDNKQHALLMRV-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368742;MM368742;C#CC(C)CCC=NN=C;ZAENROAZZRHRLU-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368743;MM368743;C=C(C#CC=CC#N)CF;KNTVLCBVDCLIEF-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368744;MM368744;C=CC(CO)CCC;GXMPMRZCNBFEAH-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368745;MM368745;C=CC=CC#CC(=O)CC;GLRDYYKMYKNFRK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368746;MM368746;CC=CC(CC)CO;KDYUHOKADFYTHO-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368747;MM368747;CCC(=O)C#CC=CC#N;YXZHONHFNLKHCB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368748;MM368748;C#CC(C)CNN=CC#N;BRCXIOGGRLIJRD-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368749;MM368749;C=CC=CC#CC(=O)CO;AJOXRZUPPSHTQS-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368750;MM368750;C#CC(O)CNN=CC#N;LANICMQTANIGIV-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368751;MM368751;C=CC=CC#CC(=O)CF;MHHCOQIHXXVNEJ-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368752;MM368752;C#CC(F)CNN=CC=C;YRHJBNURKXBSBO-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368753;MM368753;O=CC=CC#CC(=O)CF;NDBYCVWJUFTHBN-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368754;MM368754;C#CC(F)CNN=CC#N;LLVRUJOTWRUXEX-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368755;MM368755;C=NN=CC#CC(=C)CC;WHDGPLLZQJHAFT-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368756;MM368756;C#CC(C)COC=CC=O;RVUAHYGWFLYPCW-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368757;MM368757;C=NN=CC#CC(=C)CN;PWLIUQHMXSYGOL-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368758;MM368758;C#CC(C)COC=CC#N;LGIGTBMQRPXCOA-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368759;MM368759;C=NN=CC#CC(=O)CO;WUBCZAMSSDQWLT-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368760;MM368760;C#CC(N)COC=CC=C;XSRJPIZEERWRCY-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368761;MM368761;CNC(=N)C#CC=CC#N;STILYQSLVFKVBN-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368762;MM368762;C#CC(O)COC=CC=O;QQWJTUOGVMBJTR-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368763;MM368763;NC(C#CC=CC=O)=NO;YVFDVKOQAZSOLP-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368764;MM368764;C#CC(F)COC=CC=C;RCENCYGHZAONSN-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368765;MM368765;C=NN=CC#CC(=N)NC;CLZJRHGUXYJGFI-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368766;MM368766;C#CC(F)COC=CC#N;JXAZYQBMSNYLEL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368767;MM368767;C=NN=CC#CC(=O)NC;AUEKCISYFWLIBX-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368768;MM368768;C#CC(C)COC=NN=C;VQEDISDZDDOTJT-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368769;MM368769;C=NN=CC#CC(=O)NN;SYRWIWBRDZQYSE-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368770;MM368770;C#CC(F)COC=NN=C;RDOKJNBYJSYNER-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368771;MM368771;C=C(C#CC=CC#N)OC;HGTYBBCZXIXUPR-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368772;MM368772;C#CC(C)CON=CC=C;LDPBDSKWQJOKLS-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368773;MM368773;C=CC=CC#CC(=O)OC;ISHLDKINYDCJLN-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368774;MM368774;C#CC(C)CON=CC#N;BXYCXUSFGGNLTB-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368775;MM368775;COC(=O)C#CC=CC#N;BZBPSLVIHVTGPI-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368776;MM368776;C#CC(O)CON=CC#N;VGBFQLKXLIPYRR-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368777;MM368777;C=NN=CC#CC(=C)OC;GGIRWYOJZZZRRW-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368778;MM368778;C=C1C=CC(CO)C1;XMUVGHZNZSFNIB-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368779;MM368779;C=NN=CC#CC(=O)OC;SSAPEJCKPKJIHR-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368780;MM368780;C#CC(F)CON=CC#N;NNKSEJOKSINUBL-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368781;MM368781;C#CC=CC#CC(=C)CC;CYOJNLRDNSRPIY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368782;MM368782;C#CC(C)NN=CNC=O;YCAQIAGXTHBLTJ-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368783;MM368783;C#CC=CC#CC(=C)CN;NFZQGKBHUJVBPG-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368784;MM368784;C#CC(C)OCC=CC=C;WXTOEBLNTYHMPV-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368785;MM368785;C#CC=CC#CC(=C)CO;DKBAAWGQOVYDCI-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368786;MM368786;C#CC(C)OCC=CC#N;MSMNSRSNWJNOOO-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368787;MM368787;C#CC=CC#CC(=C)CF;ZVPNXYNLLDFGRY-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368788;MM368788;C#CC(C)ON=CNC=O;ODKLOIOXBATZFS-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368789;MM368789;C#CC=CC#CC(=O)CC;PUJXSEAQSYXFRC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368790;MM368790;C#CC=CCCC(C)C#C;RSALBBFBMJMOSS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368791;MM368791;C#CC=CC#CC(=O)CF;ZVRXXYRRUADCRT-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368792;MM368792;C#CC=CCCC(F)C#C;PACFIXLEZDHSPZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368793;MM368793;C#CC=CC#CC(=N)NC;DBVVTEQMJSQNHP-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368794;MM368794;C#CC=NNCC(C)C#C;IAOBJGQVZUKOKG-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368795;MM368795;C#CC=CC#CC(=O)NC;XKLVRVKBUYMHAK-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368796;MM368796;C#CC=NNCC(F)C#C;BILQYGDEFSIWLJ-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368797;MM368797;C#CC=COCC(C)C#C;ACYORFRFMWDAHC-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368798;MM368798;C#CC=CC#CC(=C)OC;IVYUUQZYPVQYMX-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368799;MM368799;C#CC=COCC(F)C#C;VQEDBVQBJMLNNQ-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368800;MM368800;C#CC=CC#CC(=O)OC;DILRPSLNIWFRHU-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368801;MM368801;C#CC=NOCC(C)C#C;SMDXLPCNCFBDGF-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368802;MM368802;C=CC(=C)C#CC=CCC;CKZNVODOZJYLGD-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368803;MM368803;N=Cn1cc(N)nn1;GAWZRZPNXYEMLV-UHFFFAOYSA-N;111.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368804;MM368804;C=C(C#CC=CCC)C=O;RDOBNNZASDSROA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368805;MM368805;C#CC=CCOC(C)C#C;IQQYVBSMEZGJCA-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368806;MM368806;C=C(C#N)C#CC=CCC;XQZHQCVECHYTDA-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368807;MM368807;C=C(CC)CCC=CCC;QGYDRHJECULJIN-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368808;MM368808;C=C(C#N)C#CC=CCF;LYJPEQQZQNWMDT-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368809;MM368809;C=C(CC)CCC=CCN;VWRQMZFSCVIFEI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368810;MM368810;C=CC(=O)C#CC=CCC;CUPZYURITSDAOG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368811;MM368811;C=C(CN)CCC=CCC;APXWZKUVOQEGOG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368812;MM368812;CCC=CC#CC(=O)C=O;KXSQYPVGNVDZJL-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368813;MM368813;C=C(CO)CCC=CCC;YTSBNVWTFLZIDB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368814;MM368814;CCC=CC#CC(=O)C#N;YTUAOQUZDNVBEO-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368815;MM368815;C=C(CF)CCC=CCN;RZMUIWFXWPZHNA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368816;MM368816;O=CC(=O)C#CC=CCF;LVSDUTVPTZZAKP-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368817;MM368817;CCC=CCCC(=O)CC;CASUOEYAFQNOLR-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368818;MM368818;N#CC(=O)C#CC=CCF;FQGZCPYCCGNUFE-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368819;MM368819;CCC=CCCC(=O)CF;CIKYIQUTKVVXGG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368820;MM368820;COC=CC#CC(=O)C#N;SFSZRGBEDWZACB-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368821;MM368821;O=C(CF)CCC=CCF;PSHHVVPGJXOCSD-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368822;MM368822;C=CC(=C)C#CC=NNC;LZIORAWFXOHSIG-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368823;MM368823;COC=CCCC(=O)CO;BNBFRDWTMIZUTF-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368824;MM368824;C=C(C#CC=NNC)C=O;LZRPCYJMQFOLMD-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368825;MM368825;CCC(=O)CCC=NNC;AARQDFBWKFEBKL-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368826;MM368826;C=C(C#N)C#CC=NNC;MEWCBRAUJQQZGU-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368827;MM368827;CCNc1cn[nH]c1;MWMMLUDXDJICIW-UHFFFAOYSA-N;111.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368828;MM368828;C=CC(=O)C#CC=NNC;LTPIZPLKOPWCQG-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368829;MM368829;C=CC1CCC1CO;FBSHVUJFDBTHED-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368830;MM368830;C=CC(=C)C#CC=NOC;FPVUVSRBTUREAS-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368831;MM368831;C=C(CN)CCC=NOC;LPZZYSMRUSONCE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368832;MM368832;C=CC=CC#CC(=C)C=C;KNOMRRVMKIDYRB-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368833;MM368833;CNC(=N)CCC=CCF;RYVABZYFCIVZGG-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368834;MM368834;C=CC(=C)C#CC=CC=O;NCTVMTSRSOWGHX-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368835;MM368835;CCC=CCCC(=N)NN;OWPXUHPMBXWJQV-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368836;MM368836;C=CC(=C)C#CC=CC#N;KCNQFZOXYOQNLN-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368837;MM368837;N=C(CCC=CCO)NN;DMCLUQVBEBMVAN-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368838;MM368838;C=CC=CC#CC(=C)C=O;NVKAGJBJXZUCLY-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368839;MM368839;C#CCC(O)(C=C)C=C;GTJISJDYRGZECK-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368840;MM368840;C=CC=CC#CC(=C)C#N;USAQHCFHEWNPAD-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368841;MM368841;CNC(=O)CCC=CCF;KZEANFSVBQJZJU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368842;MM368842;C=C(C#N)C#CC=CC=O;UHOUJTVNBPDMTQ-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368843;MM368843;C=CC(C)=CCC(C)O;HWXDCUCWGGXERX-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368844;MM368844;C=C(C#CC=CC#N)C=O;MNPVGXDPGBKYSN-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368845;MM368845;CCC(C)(C)C1CC1O;AXHRAAZTYDKWCO-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368846;MM368846;C=CC=CC#CC(=O)C=C;FMDWRAJENMDIQA-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368847;MM368847;CCC=CCCC(=O)NO;VICSQBOTKJUPAS-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368848;MM368848;C=CC=CC#CC(=O)C=O;WYRWCZGGKMCFJL-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368849;MM368849;O=C(CCC=CCF)NO;FIYFFWBUFGXLAP-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368850;MM368850;C=CC=CC#CC(=O)C#N;JNEXJTIXDFQZKD-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368851;MM368851;CNC(=N)CCC=COC;ILAINGRFSVIGMY-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368852;MM368852;N#CC=CC#CC(=O)C=O;NCBSTYAIPQXKKN-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368853;MM368853;COC=CCCC(=N)NN;VTERJTGJBOIASH-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368854;MM368854;CNC(=O)CCC=COC;BXRDNYBNFWAIQU-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368855;MM368855;N#CC=CC#CC(=O)C#N;ALADQIZZWOFYGO-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368856;MM368856;CC1(O)CC1CCC=O;FUZHQQJZYKKRBW-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368857;MM368857;C=CC(=O)C#CC=NN=C;NESRBFPNGOFLPZ-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368858;MM368858;COC=CCCC(=O)NO;OVKXRCTYZRULNG-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368859;MM368859;C=NN=CC#CC(=O)C#N;CDMYWCLEDVEOPS-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368860;MM368860;CNN=CCCC(=N)NC;ZJDOCFOSUBVFPW-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368861;MM368861;C#CC=CC#CC(=C)C=C;GRFIUYSCIFAEMS-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368862;MM368862;CNN=CCCC(=N)NO;LYKCQTUVRBKRRR-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368863;MM368863;C#CC=CC#CC(=C)C=O;WBJXSCITFQLZIO-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368864;MM368864;C=C(CCC)C(C)CO;HHFUVWSLUFYATD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368865;MM368865;C#CC=CC#CC(=C)C#N;CVSICLDOYVLKRU-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368866;MM368866;C=C(CCC=NOC)OC;DHENSWYZFQGOAX-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368867;MM368867;C#CC=CC#CC(=O)C=C;AAKFDJZOLMPMBV-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368868;MM368868;C=C(CN)CNC=NCC;SSFUASWZAUJPBC-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368869;MM368869;C#CC=CC#CC(=O)C=O;GKHWDJOWXHNPBH-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368870;MM368870;C=C(CN)CNC=NNC;PVCYONMPCHWFFC-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368871;MM368871;C#CC=CC#CC(=O)C#N;QDPCECJFCSIYDI-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368872;MM368872;C=C(CN)CNC=NOC;XBGWDKFFIPQQDH-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368873;MM368873;C#CC(=C)C#CC=CCC;QVOGCZCXTOSIAK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368874;MM368874;CCC=C(C)C(C)CO;BIYFLKKTFQXNIN-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368875;MM368875;C#CC(=C)C#CC=CCN;GUSKJSCYPBPRRV-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368876;MM368876;CNN=CNCC(=N)NC;QZRMJNFRECGXKH-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368877;MM368877;C#CC(=O)C#CC=CCC;FPDTXDAACUIDBL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368878;MM368878;CNN=CNCC(=N)NN;RFXQXGFEIMKQIR-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368879;MM368879;C#CC(=O)C#CC=CCO;LBIYJLCEVYVRPB-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368880;MM368880;CNN=CNCC(=N)NO;ZMNANEFLCZGRIG-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368881;MM368881;C#CC(=O)C#CC=COC;WUTINHUTKKVYPY-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368882;MM368882;CON=CNCC(=N)NN;BIMWDUIMLMVPTJ-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368883;MM368883;C#CC(=C)C#CC=NNC;NGFSBQCYHRSANH-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368884;MM368884;CON=CNCC(=N)NO;WHJKDCAPWQENES-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368885;MM368885;CC1=CC2(O)CC1C2;WQICCJDMTHBWKH-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368886;MM368886;C=CC1(O)C=CC=C1C;OSAUJLHFIIKTOA-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368887;MM368887;C#CC(=C)C#CC=NOC;FPCJHTVHUHQLRG-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368888;MM368888;CON=CNCC(=O)NO;SASGXJLISFMIGP-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368889;MM368889;C=NOC(C=O)CC;QRWIBOXJYOBROX-UHFFFAOYSA-N;115.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368890;MM368890;CON=CNCC(=O)OC;DHPYZBNMFJTFLO-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368891;MM368891;C#CC(=C)C#CC=CC=C;KKVRFMVUFSRAOD-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368892;MM368892;C=C(CN)CNN=CCN;PMFNDIHEJGGLDA-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368893;MM368893;C#CC(=C)C#CC=CC=O;OBAMCJGXVXHYCM-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368894;MM368894;C=C(CN)CNN=CCO;NGDZFGBVMKCEGS-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368895;MM368895;C#CC(=C)C#CC=CC#N;NOAXKKKHFMNXMI-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368896;MM368896;CN1CC(C(=O)C#N)C1;YOWJCLOMUMVSNV-UHFFFAOYSA-N;124.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368897;MM368897;C#CC(=O)C#CC=CC=C;POJNPBPIHJJFIS-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368898;MM368898;C#CC1CN(CC=O)C1;MRYJJWPQFHULRD-UHFFFAOYSA-N;123.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368899;MM368899;C#CC(=O)C#CC=CC=O;FGCPUNUTLGNVIO-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368900;MM368900;O=CCC1=CC2CN2C1;VMXJHOULSKOIJE-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368901;MM368901;C#CC(=O)C#CC=CC#N;ZBWQPZSFGALQOV-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368902;MM368902;C=CC(CO)CCCC;QDMNPPJGRKICOY-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368903;MM368903;C#CC(=O)C#CC=NN=C;MHWRXHFZENMYRC-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368904;MM368904;CCC=CC(CC)CO;WNQFVERFIHFVJG-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368905;MM368905;C#CC=CC#CC(=C)C#C;IORCNCASSQUHBO-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368906;MM368906;C=C(CN)CNN=COC;MZRPOMZJHPWJCI-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368907;MM368907;C#CC=CC#CC(=O)C#C;KISNYLIXYYIEGY-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368908;MM368908;CCC(C=CCF)CO;QWTTYAXRHHUALW-UHFFFAOYSA-N;132.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368909;MM368909;CCC#CC#CC(C)CC;CQCSVZBWLCFULP-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368910;MM368910;CNC(=N)CNN=CCO;HOSYXVXWMFWZMM-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368911;MM368911;CCC(C)C#CC#CCN;QLIGDOQCUGANHL-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368912;MM368912;CCC=NNCC(=N)NN;ZGAPQLWWYVYSDS-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368913;MM368913;CCC(C)C#CC#CCO;MKJZXGSSABBHQB-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368914;MM368914;N=C(CNN=CCO)NN;IJPJHLRYRFOEHS-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368915;MM368915;CCC(C)C#CC#CCF;CIHOXJNLPBXNDA-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368916;MM368916;N=C(CNN=CCF)NN;SVCRUINYXIWJIF-UHFFFAOYSA-N;147.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368917;MM368917;CCC#CC#CC(C)CN;KBVOFVGJFDRHQV-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368918;MM368918;N=C(CNN=CCN)NO;GCDQCVALKBIUSX-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368919;MM368919;CC(C#CC#CCF)CN;GCVRSEXBPICNBZ-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368920;MM368920;C=CC=CC(C=C)CO;CPSINRPOAJAHEG-UHFFFAOYSA-N;124.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368921;MM368921;CC=C1C=CC(CO)C1;OBTQAKSYRZXHDX-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368922;MM368922;CCC#CC#CC(C)CO;VHLYOSPWFUMPFZ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368923;MM368923;O=C(CNN=CCO)NO;QKSMCUZAGPNMFN-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368924;MM368924;CC(C#CC#CCN)CO;QESGARGVNVYKMM-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368925;MM368925;O=C(CNN=CCF)NO;QPIGPYYXNNGFAZ-UHFFFAOYSA-N;149.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368926;MM368926;CC(C#CC#CCF)CO;YVQFLLUKQFUBPD-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368927;MM368927;CNC(=N)CNN=COC;ANCZQQSFDRPQHE-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368928;MM368928;CCC#CC#CC(C)CF;MOLKJBDXJAYFLD-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368929;MM368929;COC=NNCC(=N)NN;CDFCQKZQTSGMGE-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368930;MM368930;CC(C#CC#CCF)CF;VYYXUCHTPSUHQS-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368931;MM368931;OCC1C=CC(=CF)C1;JSKALZAYXPHNGJ-UHFFFAOYSA-N;128.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368932;MM368932;CCC#CC#CC(N)CC;NGPUGEGKEQZXBM-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368933;MM368933;CC1C(O)C1CCC=O;SKLYCOAWRLKCCI-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368934;MM368934;CCC(N)C#CC#CCN;LHPBBGAFSPJNOR-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368935;MM368935;N=CNN=COCCF;YKAUJSCMGVJBQR-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368936;MM368936;CCC(N)C#CC#CCF;FYCPVKVTJUVQJD-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368937;MM368937;CNN=CC=CCC=O;UJMDPZZOWCANFL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368938;MM368938;CCC#CC#CC(N)CN;FKKOUTYUSWPKLB-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368939;MM368939;C=C(CN)COC=CCC;HZBDEPDRKHRWHJ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368940;MM368940;NCC#CC#CC(N)CN;LTWOFMVVDIQLMT-UHFFFAOYSA-N;137.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368941;MM368941;C=C(CN)COC=CCN;PANQPOGQCBQVPE-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368942;MM368942;NCC(N)C#CC#CCO;GFICIVCXYNAGHF-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368943;MM368943;C=C(CF)COC=CCO;BFMAONXYEBRLHA-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368944;MM368944;NCC#CC#CC(N)CO;BDEHXRGCJYCEDX-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368945;MM368945;CCC=COCC(=O)CO;QPHFBCNJNMRMLO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368946;MM368946;CCC#CC#CC(O)CC;WQQJLSMOXSZPDQ-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368947;MM368947;O=C(CO)COC=CCO;MYNIALIIBSZSAY-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368948;MM368948;CCC(O)C#CC#CCO;MQIHRUDCXDSEFP-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368949;MM368949;C=C(CF)COC=COC;REOXWAYMVMKVOS-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368950;MM368950;CCC(O)C#CC#CCF;XJMFAKNDOFSKRB-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368951;MM368951;CC(C=O)C(C)N1CC1;AWXNEFATODIOTH-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368952;MM368952;CCC#CC#CC(O)CN;FZNCBDJOPKTHGE-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368953;MM368953;CC(C)(C)C=CC(C)(C)O;QBDBJUWWBQNMOJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368954;MM368954;NCC#CC#CC(O)CN;ZQJPBKURBVXEFC-UHFFFAOYSA-N;138.17;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368955;MM368955;C=C(CN)COC=NOC;UNGOPQNTPKREJF-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368956;MM368956;NCC(O)C#CC#CCO;NRRMWIJITBDTDF-UHFFFAOYSA-N;139.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368957;MM368957;C=C(CF)COC=NOC;AEURMQVUKQYFPO-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368958;MM368958;CCC#CC#CC(O)CO;GHEHNFDDAFWQJF-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368959;MM368959;CC(C#N)CC(C)(C)CO;JJRQBUWHUVLNSA-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368960;MM368960;NCC#CC#CC(O)CO;ATVVYPLQXDUTHQ-UHFFFAOYSA-N;139.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368961;MM368961;C=NNC(C)(C)C(C)C=O;XCLBGZOLXKZXHT-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368962;MM368962;OCC#CC#CC(O)CO;OKZXXIYDFFGMAY-UHFFFAOYSA-N;140.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368963;MM368963;CCC=COCC(=N)NC;UFUIBXMOKIKREA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368964;MM368964;OCC(O)C#CC#CCF;JZCBLXAIPRCHNZ-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368965;MM368965;CNC(=N)COC=CCN;GZJWWBKRGCZYTI-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368966;MM368966;OCC#CC#CC(O)CF;SIMNKRIDZFVNTH-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368967;MM368967;CCC=COCC(=N)NN;MZJSKGATPSWBFF-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368968;MM368968;OC(C#CC#CCF)CF;CYXBZUZNOLJAGB-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368969;MM368969;N=C(COC=CCO)NN;VVBCAIIEGPAZRZ-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368970;MM368970;CCC#CC#CC(F)CC;ZMUMBKSAFZVUDB-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368971;MM368971;N=C(COC=CCF)NN;ISXKITYAHCGWBJ-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368972;MM368972;CCC(F)C#CC#CCN;KAVKDKNHGBZQAF-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368973;MM368973;CCC=COCC(=N)NO;MIRWVLDXWKGXLJ-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368974;MM368974;CCC#CC#CC(F)CO;CFZVFMMMATWXTP-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368975;MM368975;N=C(COC=CCO)NO;GAJYDALXECMZMC-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368976;MM368976;NCC#CC#CC(F)CO;XPDPATPHDXVGRC-UHFFFAOYSA-N;141.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368977;MM368977;N=C(COC=CCF)NO;BFVHPXZOGOPFQG-UHFFFAOYSA-N;148.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368978;MM368978;OCC#CC#CC(F)CO;MNKSGILJXMRIEL-UHFFFAOYSA-N;142.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368979;MM368979;CCC=COCC(=O)NC;UNRXQTXRTHUXLY-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368980;MM368980;OCC(F)C#CC#CCF;ALLMLTZEXYTPHE-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368981;MM368981;CNC(=O)COC=CCN;ZGTYCPBEWMAGKA-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368982;MM368982;NCC#CC#CC(F)CF;HTKXXXUVSHZDGD-UHFFFAOYSA-N;143.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368983;MM368983;CNC(=O)COC=CCO;UDLZJXQRHCFSRH-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368984;MM368984;OCC#CC#CC(F)CF;FDDSWYKOTVVBJZ-UHFFFAOYSA-N;144.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368985;MM368985;C#CC#CC(C)(C)C(C)O;ZMKBPVYXYNPEJG-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368986;MM368986;CCC#CC#CC(C)NC;QANQQDDVWDBELW-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368987;MM368987;O=C(COC=CCO)NO;UGQLACKTIOWERD-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368988;MM368988;CNC(C)C#CC#CCO;UHIFHIGDOZEXMM-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368989;MM368989;O=C(COC=CCF)NO;BCCVFCFNAAQCCZ-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368990;MM368990;CNC(C)C#CC#CCF;LPJZAIKYQYQGSU-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368991;MM368991;C=CC(C)(O)CC#CCC;SKXJHJYUXDBKNA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368992;MM368992;CCC#CC#CC(C)OC;ZKELPHFIXLJDEU-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368993;MM368993;CNN=COCC(=N)NC;JDIJNNAKXQOQNG-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368994;MM368994;COC(C)C#CC#CCN;GGZQJRJZGKBIMF-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368995;MM368995;CNN=COCC(=N)NN;QTLXPYMVMZPYQO-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368996;MM368996;COC(C)C#CC#CCO;JTJSMQIHWRGZSL-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368997;MM368997;CON=COCC(=N)NN;NUBGYGLAEAAOTH-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368998;MM368998;COC(C)C#CC#CCF;OXKACTRVPJOYQD-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM368999;MM368999;CON=COCC(=N)NO;SHRCCMJYJXJKPE-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369000;MM369000;C=CC#CC#CC(C)CC;NPIALKVZCYDSJW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369001;MM369001;C=C(COC=CCO)OC;RTKDAXPQTPYIJZ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369002;MM369002;CCC(C)C#CC#CC=O;ULMSWVSXCVYJQU-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369003;MM369003;COC(=O)COC=CCN;GXUYSJWBCKOWCJ-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369004;MM369004;CCC(C)C#CC#CC#N;GOAPAISIOXZGQB-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369005;MM369005;COC(=O)COC=CCF;UFTDNWSRKKVNAH-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369006;MM369006;C=CC#CC#CC(C)CN;SOBVBUPWQVIGMH-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369007;MM369007;C=C(COC=COC)OC;CGUDQDHPTJJDBX-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369008;MM369008;C=CC#CC#CC(C)CO;GUEGPWQDOIOZOE-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369009;MM369009;C=CC(O)CC(=C)C(C)C;XVLIGDMIYZUCIA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369010;MM369010;CC(C#CC#CC=O)CO;AEHNWQJTTWOGDG-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369011;MM369011;C=C(COC=NOC)OC;RHDOYPPPXKODSI-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369012;MM369012;C=CC#CC#CC(C)CF;JOWSAGQJZOABJD-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369013;MM369013;C=C(CN)CON=CCN;LDLXPBAOWHXURC-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369014;MM369014;CC(C#CC#CC#N)CF;HRINDRQRGXYYGJ-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369015;MM369015;C=C(CN)CON=CCO;XVPJFWCXLNJLOI-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369016;MM369016;C=CC#CC#CC(N)CC;HOLQJTGMWPEIBX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369017;MM369017;C=CC(O)CC(C)=C(C)C;HCFWAPKBWXJEAD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369018;MM369018;C=CC#CC#CC(N)CN;ZAYHMRMYDJXSDU-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369019;MM369019;C=C(CF)CON=CCC;WPRFVQOJVRYQCA-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369020;MM369020;C=CC#CC#CC(O)CC;SAJDVRPMEQUAKU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369021;MM369021;C=C(CF)CON=CCN;VFKCXEAOTNRQKV-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369022;MM369022;CCC(O)C#CC#CC=O;PBCLWNQKDZJJPP-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369023;MM369023;C=CCC(O)C=CC(C)C;NHVSWGJXMGIQIW-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369024;MM369024;CCC(O)C#CC#CC#N;TVECRGJQGYZBCX-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369025;MM369025;CC=CC(C)=CCC(C)O;PKXUPMCHEIFFSK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369026;MM369026;C=CC#CC#CC(O)CN;ARXKTQYDBCWUFG-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369027;MM369027;CC(C=CF)=CCC(C)O;BGPMWPHYNDRXEJ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369028;MM369028;C=CC#CC#CC(O)CO;LKPYFKOPLNSZFI-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369029;MM369029;C=C(C)C(C)=CCC(C)O;CBUCUEUILVBBQX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369030;MM369030;O=CC#CC#CC(O)CO;RINUDVKRGFMHJJ-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369031;MM369031;C=C(CN)CON=COC;DHDRTIAHUOSERZ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369032;MM369032;C=CC#CC#CC(O)CF;MFGWVYHKOOUQPO-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369033;MM369033;C=C(CF)CON=COC;DCCAFOPFUHYMQG-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369034;MM369034;C=CC#CC#CC(F)CC;KWQWBZKGRMJWDG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369035;MM369035;CC(=O)C(C)=CCC(C)O;LRYVJZKGPDNRAF-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369036;MM369036;CCC(F)C#CC#CC#N;MWLHTAGWRZSIHD-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369037;MM369037;C#CC(=C)CC1(C)CC1O;ZKYGEHUNSWWPSF-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369038;MM369038;C=CC#CC#CC(F)CO;GHSADIKKADYBKW-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369039;MM369039;CNC(=N)CON=CCO;KDYJYJGPVOVULL-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369040;MM369040;O=CC#CC#CC(F)CO;DGAMFWWBZHYKPW-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369041;MM369041;N=C(CON=CCN)NO;HKUSGCYWPLVNTC-UHFFFAOYSA-N;146.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369042;MM369042;N#CC#CC#CC(F)CO;KZTPNTAHVUABTF-UHFFFAOYSA-N;137.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369043;MM369043;C=CC(O)CC(C)C#CC;SEZBKBKBXWNBNS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369044;MM369044;C=CC#CC#CC(F)CF;BBSBHBXTHBHXOP-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369045;MM369045;C=C(CC(C)O)C(C)CO;ISIGYYWZHNEMBJ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369046;MM369046;O=CC#CC#CC(F)CF;YUTOXZHJYFXVCA-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369047;MM369047;CC(C)COC=NNC=N;RTVMRIQPCJNXRC-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369048;MM369048;N#CC#CC#CC(F)CF;UHFXGECIGKEKHX-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369049;MM369049;C=NN=CCN(C)CC=O;CFKUDSGRGKZOOV-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369050;MM369050;C=CC#CC#CC(C)NC;TXTFZCYALNYXQU-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369051;MM369051;CC#CC1=NC(=N)C(=N)N1;HEDYCBZRPBBLDT-UHFFFAOYSA-N;134.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369052;MM369052;CNC(C)C#CC#CC=O;YOEUHRFENYJJJS-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369053;MM369053;C=C(CON=CCC)OC;VTANVBKVTMZQFD-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369054;MM369054;CNC(C)C#CC#CC#N;YZBLPZRKOUUMQR-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369055;MM369055;C=C(CON=CCN)OC;AVJBZDQLTJSHGV-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369056;MM369056;C=CC#CC#CC(C)OC;NZQXPPNEBKNKIT-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369057;MM369057;COC(=O)CON=CCN;BQJNHWVDFHIGPD-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369058;MM369058;COC(C)C#CC#CC=O;FPIGQGJDKWSYEI-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369059;MM369059;C#CCCC(C)(C#C)CO;BKXJOEGDDPJIEY-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369060;MM369060;COC(C)C#CC#CC#N;JCRPXXYGNUCFCZ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369061;MM369061;C=C(CON=COC)OC;BUIQDOANRRLJSF-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369062;MM369062;C#CC#CC#CC(C)CC;GIMXLDXCTHSVKD-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369063;MM369063;N=C(CN)NCC=CCO;NDGDUHDKJOEOBJ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369064;MM369064;C#CC#CC#CC(C)CN;PUBNMFNQTOXXJV-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369065;MM369065;N=C(CF)NCC=CCN;LOLNRXGDTHZYOP-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369066;MM369066;C#CC#CC#CC(C)CO;QXPJNRRYIAGDRX-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369067;MM369067;CCC(=O)NCC=CCO;PITRYVVMACKRAS-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369068;MM369068;C#CC#CC#CC(C)CF;CBIRFYOFLCAXHP-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369069;MM369069;CCC(=O)NCC=CCF;UODDKUVCOGIBPE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369070;MM369070;C#CC#CC#CC(N)CC;IGXGTMPYACTEKP-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369071;MM369071;NCC=CCNC(=O)CN;WJHGPAPEBPNQQL-UHFFFAOYSA-N;143.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369072;MM369072;C#CC#CC#CC(N)CN;CVRSEFOCHJDSTC-UHFFFAOYSA-N;132.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369073;MM369073;NCC=CCNC(=O)CO;DNJAYPAPYLFJLX-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369074;MM369074;C#CC#CC#CC(O)CC;PXJRZCCITIGRPZ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369075;MM369075;CCC(=N)NCC=COC;NANKQJZQURIWFG-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369076;MM369076;C#CC#CC#CC(O)CN;LWZQSOXKZWKUOI-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369077;MM369077;COC=CCNC(=N)CO;BKBACSFRFPKLMN-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369078;MM369078;C#CC#CC#CC(O)CO;SUYHEJHBCCUORW-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369079;MM369079;CCC(=O)NCC=COC;RGYNYWVSACKRQU-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369080;MM369080;C#CC#CC#CC(O)CF;JARAMTFRCTYNTM-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369081;MM369081;CCC(=N)NCC=NNC;JJILCLIJOXGAAC-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369082;MM369082;C#CC#CC#CC(F)CC;BIAIPBJVQUFXQH-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369083;MM369083;CNN=CCNC(=N)CN;VEPHUUJJRHCWQD-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369084;MM369084;C#CC#CC#CC(F)CO;YILVYQJKPKWTDI-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369085;MM369085;CNN=CCNC(=N)CO;LYFPIOAVQGJNMS-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369086;MM369086;C#CC#CC#CC(F)CF;SKJPEGFLWNABIR-UHFFFAOYSA-N;138.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369087;MM369087;C#CC(=C)CC(C=C)CO;HAZIUNVDORWEII-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369088;MM369088;C#CC#CC#CC(C)NC;VDXYECUQBDMCAX-UHFFFAOYSA-N;131.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369089;MM369089;C=CC(O)CC(=CC)CC;QTLSXYFQEGDKPL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369090;MM369090;C#CC#CC#CC(C)OC;VCYLGEOZORIJDD-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369091;MM369091;CCC(=N)NCC=NOC;KZXKCMNEYUYLOA-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369092;MM369092;C=CC(C)C#CC#CCC;CWCROICUKPOAKI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369093;MM369093;C=CC(CO)CCC(C)C;XLLXTAWJDWOJGU-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369094;MM369094;C=CC(C)C#CC#CCN;ICCNNZBAIZYXLS-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369095;MM369095;CCC=CCNC(=N)NC;JSZHOVNKDUWWHU-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369096;MM369096;C=CC(C)C#CC#CCO;ZTNAJTCONOXGQX-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369097;MM369097;CNC(=N)NCC=CCO;XHRZKQCFLYRKNY-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369098;MM369098;C=CC(C)C#CC#CCF;JJWAEULRVVYTFY-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369099;MM369099;CNC(=N)NCC=CCF;UYMGQYVLYHTYIP-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369100;MM369100;CCC#CC#CC(C)C=O;YLMHWKRPSLLDRH-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369101;MM369101;CCC=CCNC(=N)NN;AUVIVSLMRLPIGJ-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369102;MM369102;CCC#CC#CC(C)C#N;MBRRDMMGHHZNHE-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369103;MM369103;N=C(NN)NCC=CCO;FZWYZHOJRNRRHM-UHFFFAOYSA-N;144.18;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369104;MM369104;CC(C#CC#CCO)C=O;AKQUTDJZYACVIY-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369105;MM369105;CCC=CCNC(=N)NO;IPSKMXOVNWGPRK-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369106;MM369106;CC(C#CC#CCF)C=O;JCOPHAPBBNQNQP-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369107;MM369107;N=C(NO)NCC=CCN;BAPRJCMYKUCPGK-UHFFFAOYSA-N;144.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369108;MM369108;CC(C#N)C#CC#CCF;ZGUJXGOSHXIXSJ-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369109;MM369109;CCC=CCNC(=O)NC;LQKLUSGKLMIABI-UHFFFAOYSA-N;142.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369110;MM369110;C=CC(O)C#CC#CCC;GKNDZLDJFOSNDO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369111;MM369111;COC=CCNC(=N)NN;WHXQYHPBEDIPPS-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369112;MM369112;CNC(=O)NCC=COC;WAYXNOLUSONSDA-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369113;MM369113;C=CC(O)C#CC#CCN;WOLQZQMFGPWLKO-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369114;MM369114;COC=CCNC(=O)NO;PQLDVGVERVHWQS-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369115;MM369115;C=CC(O)C#CC#CCF;MLFHAUGCZIUZFP-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369116;MM369116;CNN=CCNC(=N)NC;DKBOKZTUELPSBW-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369117;MM369117;CCC#CC#CC(O)C=O;PVBIVZKLRMXZIN-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369118;MM369118;CCC#CC#CC(O)C#N;VKMOGBUEILNWSY-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369119;MM369119;CNN=CCNC(=N)NO;VYIDBYGJDFPIMX-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369120;MM369120;C=CC(CO)CCC(C)O;LFTIWGBVZLRLFX-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369121;MM369121;O=CC(O)C#CC#CCO;BVNITWQBGHPBSY-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369122;MM369122;C=CC(CO)CCC(C)F;YSXIWEYEPGUQFG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369123;MM369123;N#CC(O)C#CC#CCO;MUTWLRCEAADWQP-UHFFFAOYSA-N;135.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369124;MM369124;O=CC(O)C#CC#CCF;XFCGTQPTFGNMBG-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369125;MM369125;CNN=CCNC(=O)NO;URXFJOZANVOADH-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369126;MM369126;C=CC(CO)CCC(F)F;LMAUEUAERTWQLR-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369127;MM369127;C=CC(F)C#CC#CCC;VFQFRXVYAINXPH-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369128;MM369128;CON=CCNC(=O)NO;IEXRYUBBDJEZJQ-UHFFFAOYSA-N;147.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369129;MM369129;C=CC(F)C#CC#CCN;JWQVOSWWPCNNBP-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369130;MM369130;COC(=N)NCC=CCN;OBBHMNYJDHAFNL-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369131;MM369131;C=CC(F)C#CC#CCO;BKNYTDZIWOCBBC-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369132;MM369132;CCC(C=CC(C)C)CO;TVQYOAOAWPKRFC-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369133;MM369133;CCC#CC#CC(F)C=O;MULKTMUMZMMOPV-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369134;MM369134;CCC#CC#CC(F)C#N;YXKNMAPXCZNRKD-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369135;MM369135;CCN=CNNC(=N)CC;CXZAUZDDEWFFRZ-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369136;MM369136;N#CC(F)C#CC#CCF;OHGQZPMIBNPAOX-UHFFFAOYSA-N;139.1;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369137;MM369137;CCN=CNNC(=N)CF;FCKXPEWRBFVVQG-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369138;MM369138;C=CC#CC#CC(C)C=C;OVBISPIFJBUNNR-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369139;MM369139;CCN=CNNC(=O)CC;LLIADPBFLRHDOP-UHFFFAOYSA-N;143.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369140;MM369140;C=CC(C)C#CC#CC=O;DOOMXEDOFCTLEQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369141;MM369141;CCC(=N)NNC=NNC;PIELQPGJEJAOMR-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369142;MM369142;C=CC(C)C#CC#CC#N;GKHHLEDXNGJUJE-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369143;MM369143;CNN=CNNC(=N)CO;JLHIKQTWEYFEFM-UHFFFAOYSA-N;145.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369144;MM369144;C=CC#CC#CC(C)C=O;UAYPEWUQCQOGSR-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369145;MM369145;CCC(C=CC(C)F)CO;CHZBSLIOPTXACN-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369146;MM369146;C=CC#CC#CC(C)C#N;SOYWQJZYEUYVCC-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369147;MM369147;C=CC(C=CC(=C)C)CO;IGEMHCYHUKDNCS-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369148;MM369148;CCC(=N)NNC=NOC;IXCXMLMAZPOYSK-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369149;MM369149;CC(C#CC#CC=O)C=O;SNJPHKPBLAWPLO-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369150;MM369150;CC(C#CC#CC#N)C=O;HXHXVYISTCBMIE-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369151;MM369151;CON=CNNC(=N)CO;NRUZDVDGGOIRFR-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369152;MM369152;CON=CNNC(=N)CF;NRECUDQTKPGODS-UHFFFAOYSA-N;148.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369153;MM369153;CC(C#N)C#CC#CC#N;RAMQDAWBTDOABH-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369154;MM369154;CCC(=O)NN=CNOC;CUNUZYLRJWRHQL-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369155;MM369155;C=CC#CC#CC(O)C=C;IAQDPGDPRUHICK-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369156;MM369156;C=CC(=CCC(C)O)CC;WBZHKLBKVJWXRB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369157;MM369157;C=CC(O)C#CC#CC=O;VYMSZRMNWXIVJF-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369158;MM369158;CCN=CNNC(=N)NC;XEWFTGJDNJFJIB-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369159;MM369159;C=CC(O)C#CC#CC#N;UXUAGFVWHVOJOV-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369160;MM369160;CNN=CNNC(=N)NC;ZVERWIJKXLUPNJ-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369161;MM369161;C=CC#CC#CC(O)C=O;NWHKRACGHNLPDI-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369162;MM369162;CNN=CNNC(=N)NN;VCGDWMLKWSIYAO-UHFFFAOYSA-N;145.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369163;MM369163;C=CC#CC#CC(O)C#N;VUEGCQNGPRKFCI-UHFFFAOYSA-N;131.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369164;MM369164;CNN=CNNC(=N)NO;UIXFEDSHSNTBPD-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369165;MM369165;O=CC#CC#CC(O)C=O;VFKCTXHUCZIHLI-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369166;MM369166;C=C(CCC=O)C(C)CO;ZOTKKFLOTOOJJF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369167;MM369167;N#CC(O)C#CC#CC=O;NIYDFRGZTBZXFQ-UHFFFAOYSA-N;133.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369168;MM369168;C=C(CC#CC)C(C)CO;MBSLVWCAGQSHMV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369169;MM369169;C=CC#CC#CC(F)C=C;ZLRGTBLQDDVKBC-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369170;MM369170;C=C(C=CC#N)C(O)CC;HKLLPSJLEPPRFR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369171;MM369171;C=CC(F)C#CC#CC=O;BUZAMMHDQVACNA-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369172;MM369172;CNC(=N)NN=CNOC;FPHSYOJVRJDPTG-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369173;MM369173;C=CC(F)C#CC#CC#N;NRYPPUVFFKIXPT-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369174;MM369174;CON=CNNC(=N)NN;UNKSVNCUUGMIMB-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369175;MM369175;C=CC#CC#CC(F)C=O;VCMCUQMPKFBBNR-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369176;MM369176;CON=CNNC(=N)NO;CPNXQQOBKIOWMG-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369177;MM369177;C=CC#CC#CC(F)C#N;CZXOYJNYPKZBMP-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369178;MM369178;CNC(=O)NN=CNOC;ACOXFJPJDLKVTK-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369179;MM369179;O=CC#CC#CC(F)C=O;PWMILQIREJZOBG-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369180;MM369180;C#CCC=C(C)C(C)CO;RWDZNJDQMVXTFV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369181;MM369181;N#CC(F)C#CC#CC=O;HXEJBKQOSKLOIG-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369182;MM369182;CON=CNNC(=O)NO;HKVBIWMKPHPSBW-UHFFFAOYSA-N;148.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369183;MM369183;N#CC#CC#CC(F)C=O;PWJCGCGWJJJGII-UHFFFAOYSA-N;135.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369184;MM369184;C=CC1(O)CC1CC#CC;UFHNGGQIPMRDOF-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369185;MM369185;N#CC#CC#CC(F)C#N;DAGANNVYDZVTPW-UHFFFAOYSA-N;132.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369186;MM369186;C=C(CC#CC)C1(O)CC1;KZLJVZLKAUXFLE-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369187;MM369187;C#CC#CC#CC(C)C=C;MYKWUULFJOFTBP-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369188;MM369188;CCC(=N)NOC=NNC;NCOHWWGKVMEENB-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369189;MM369189;C#CC#CC#CC(C)C=O;FEVSHGIEYYJRNF-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369190;MM369190;CNN=CONC(=O)CO;QRGIEYKCDJQZTF-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369191;MM369191;C#CC#CC#CC(C)C#N;ZNBWRNQLHYNXBX-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369192;MM369192;CNN=CONC(=O)CF;XLKWLIHCEIJASE-UHFFFAOYSA-N;149.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369193;MM369193;C#CC#CC#CC(O)C=C;SHWPWGUXTYTIAR-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369194;MM369194;CON=CONC(=N)CN;CEPSTRANQAFNPF-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369195;MM369195;C#CC#CC#CC(O)C=O;ZIUZMMANGVDCRV-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369196;MM369196;CN(C)C(C=O)C=CC#N;ZKNZSOHRIOXIGI-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369197;MM369197;C#CC#CC#CC(O)C#N;MZABWJZHTMHDCF-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369198;MM369198;COn1nc(O)n(C)c1=O;GUQUCSLGGDAMTG-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369199;MM369199;C#CC#CC#CC(F)C=C;NJDYLSSRUVNKNK-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369200;MM369200;C=C(F)C(F)C(O)C(=O)O;FPKJVYPRFSTBEM-UHFFFAOYSA-N;152.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369201;MM369201;C#CC#CC#CC(F)C=O;UZXPOSGKCJLANU-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369202;MM369202;C#CC(=C)CC1C(C)C1O;JLOYTDDKBYELDV-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369203;MM369203;C#CC#CC#CC(F)C#N;XTDUQEGZJWBJHC-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369204;MM369204;C=C(CC)OCC=CCC;DRIXDVOVJPOESQ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369205;MM369205;C#CC(C)C#CC#CCC;ASDXWQBSWIZSPH-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369206;MM369206;C=C(CN)OCC=CCC;ZABVVFBRXIKWIW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369207;MM369207;C#CC(C)C#CC#CCN;IYTCITZTMAQSTE-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369208;MM369208;C=C(CN)OCC=CCO;ZPTAODHKDQZCOO-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369209;MM369209;C#CC(C)C#CC#CCO;OMCWSBAFXJRCLZ-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369210;MM369210;C=C(CO)OCC=CCC;NMPRXCWESDAIAZ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369211;MM369211;C#CC(C)C#CC#CCF;BXORNACIDBNUEU-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369212;MM369212;C=C(CO)OCC=CCF;BZDIXJSQHKDVSA-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369213;MM369213;C#CC(O)C#CC#CCC;XYGAFRSESUMFEC-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369214;MM369214;CCC=CCOC(=O)CC;TVWTWFOQTIIHEO-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369215;MM369215;C#CC(O)C#CC#CCF;IIXCYYCDACTJES-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369216;MM369216;CCC(=O)OCC=CCF;YXKZXXSFPWHQPS-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369217;MM369217;C#CC(F)C#CC#CCC;MCJTVTOSXITNIO-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369218;MM369218;CCC=CCOC(=O)CO;KGWXZUPLWRBVBR-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369219;MM369219;C#CC(F)C#CC#CCN;OMYCDDWUDWCCNJ-UHFFFAOYSA-N;135.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369220;MM369220;CCC=CCOC(=O)CF;ADPUOJNPJPYSKG-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369221;MM369221;C#CC(F)C#CC#CCO;SHRWAJLGCYEWLV-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369222;MM369222;C=C(CC)OCC=COC;MGYDOZCDCIHZCH-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369223;MM369223;C#CC(F)C#CC#CCF;DLFIKPNXSUVJRK-UHFFFAOYSA-N;138.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369224;MM369224;C=C(CO)OCC=COC;VMUXXJKGDAMPHZ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369225;MM369225;C#CC(C)C#CC#CC=C;YYNUVNREKDRLTO-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369226;MM369226;C=C(CC)OCC=NNC;SWGKBOJUUXXPBQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369227;MM369227;C#CC(C)C#CC#CC=O;QZLRAEMDHWRRHM-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369228;MM369228;C=CC(CO)CCCCC;AKQYNKTUFSAPEH-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369229;MM369229;C#CC(C)C#CC#CC#N;HAEHWMPFBSWXME-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369230;MM369230;C=C(CF)OCC=NNC;SZRRPYJPTDTTSD-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369231;MM369231;C#CC(O)C#CC#CC=C;MWODCFKUOFPCFQ-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369232;MM369232;C=C(CF)OCC=NOC;HUVZJFUXZMIASR-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369233;MM369233;C#CC(O)C#CC#CC=O;ABNRONYBKLSHPD-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369234;MM369234;C=CC(CO)CCCCF;ROFBDFWRYMLZLV-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369235;MM369235;C#CC(F)C#CC#CC=C;PAHMUUKWEKWATG-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369236;MM369236;CCC=CCOC(=N)NC;VIHGURVBVKILHW-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369237;MM369237;C#CC(F)C#CC#CC=O;QFQXVXPNWXEESL-UHFFFAOYSA-N;134.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369238;MM369238;CNC(=O)OCC=CCO;CJRJRSXFIHRSGG-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369239;MM369239;C#CC(F)C#CC#CC#N;BYNPBWUXAIKXBE-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369240;MM369240;NCC=CCOC(=O)NO;POPJXXIYKLVVGB-UHFFFAOYSA-N;146.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369241;MM369241;C#CC#CC#CC(C)C#C;MPMYUBKTTSJLHK-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369242;MM369242;CNC(=O)OCC=COC;RNAFDGXHTQOIIM-UHFFFAOYSA-N;145.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369243;MM369243;C#CC#CC#CC(O)C#C;WBNSCMYLFTYITK-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369244;MM369244;C=CC(CO)CCCOC;ORXTYSFJENYBAG-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369245;MM369245;C#CC#CC#CC(F)C#C;FGHSAHHNOWNNKP-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369246;MM369246;COC=CCOC(=O)NO;KIHOYANDFHBBEZ-UHFFFAOYSA-N;147.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369247;MM369247;C=C(C#CC#CCC)CC;ZJEJRXRXSWBRKT-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369248;MM369248;C=CCCCC(C=C)CO;AIIRAXXVWNDIQH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369249;MM369249;C=C(C#CC#CCN)CC;MZCDNQYIZWIYEU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369250;MM369250;CON=CCOC(=O)NO;UQRFRFBCTHVOJI-UHFFFAOYSA-N;148.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369251;MM369251;C=C(C#CC#CCO)CC;SSYJMNBHFGHXOW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369252;MM369252;CCC=CCOC(=O)OC;RYVDMGWZDPIJCZ-UHFFFAOYSA-N;144.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369253;MM369253;C=C(C#CC#CCF)CC;BJTHXMIQINWNGI-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369254;MM369254;COC(=O)OCC=CCF;SAERDTJEZCQWCX-UHFFFAOYSA-N;148.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369255;MM369255;C=C(C#CC#CCC)CN;VMVIWCUDGDRCMD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369256;MM369256;C=CC(CO)CCCC#N;DGBRQVUODQUQPS-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369257;MM369257;C=C(C#CC#CCF)CN;NMNCITRETNVIDY-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369258;MM369258;C#CCCCC(C=C)CO;WJUPTQFHVBYYHB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369259;MM369259;C=C(C#CC#CCC)CO;ZEEHDUNREAEQJT-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369260;MM369260;CCCC=CC(CC)CO;YGQURAZQVUKAQS-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369261;MM369261;C=C(C#CC#CCF)CO;XTINZIWASVJERR-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369262;MM369262;CCC(C=CCCF)CO;TTWIUIYMZAESGD-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369263;MM369263;C=C(C#CC#CCC)CF;MMGCHUIZLSJLTE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369264;MM369264;CCC(C=CCOC)CO;BKGXOKZBLIPUPT-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369265;MM369265;C=C(C#CC#CCN)CF;VTNXSSBCFAXDSH-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369266;MM369266;C=CCC=CC(CC)CO;XEFQCOCVZRBLES-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369267;MM369267;C=C(C#CC#CCO)CF;YGOOKVFFLHZOIL-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369268;MM369268;CCC(C=CCC=O)CO;MXJIDZDJQQXYKG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369269;MM369269;C=C(C#CC#CCF)CF;OUXGFHHZNYEJAI-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369270;MM369270;CON=CNOC(=O)NN;STWVBEQVHWFDOZ-UHFFFAOYSA-N;148.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369271;MM369271;CCC#CC#CC(=O)CC;HVTNUEVFHHMUTB-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369272;MM369272;C#CCC=CC(CC)CO;RFEIVEOHANKTBM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369273;MM369273;CCC(=O)C#CC#CCO;KSUBNNMWVTZSTG-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369274;MM369274;C=C(CC)CCC=CC#N;IVSRFXPSGVQCIK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369275;MM369275;CCC(=O)C#CC#CCF;CJGPNFBQETXKBH-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369276;MM369276;C=CC=CCCC(=C)CN;HVACWOMPMWIIQZ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369277;MM369277;CCC#CC#CC(=O)CO;ZZPXMEISEAROEA-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369278;MM369278;C=CC=CCCC(=C)CO;IKMVOULIGUGMNI-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369279;MM369279;O=C(C#CC#CCO)CO;FEPSNLRJJHCZFI-UHFFFAOYSA-N;138.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369280;MM369280;C=C(CO)CCC=CC=O;UCSOSPKWODNTOI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369281;MM369281;O=C(C#CC#CCF)CO;QKJMITTVRPSGQI-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369282;MM369282;C=C(CO)CCC=CC#N;DGEKUOILXVSKCY-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369283;MM369283;CCC#CC#CC(=O)CF;RMCDTGODQHBXNX-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369284;MM369284;C=CC=CCCC(=C)CF;DMEKMUCISTWTBK-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369285;MM369285;O=C(C#CC#CCO)CF;WSGRCILDYYKCRA-UHFFFAOYSA-N;140.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369286;MM369286;C=C(CF)CCC=CC=O;NUCLRXWSIBACQR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369287;MM369287;O=C(C#CC#CCF)CF;WZLPPGUDBGAEPG-UHFFFAOYSA-N;142.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369288;MM369288;C=C(CF)CCC=CC#N;VWWPYEBHTHZSAN-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369289;MM369289;CCC#CC#CC(=N)NC;DGJYAWCYWGHNTI-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369290;MM369290;C=CC=CCCC(=O)CC;NPJQSHIVMSHSKW-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369291;MM369291;CNC(=N)C#CC#CCF;NYMDDLLORONHSS-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369292;MM369292;C=CC=CCCC(=O)CF;AIDZDCQQCXQXIT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369293;MM369293;N=C(C#CC#CCN)NO;AGTZFQIQSZPGFD-UHFFFAOYSA-N;137.14;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369294;MM369294;O=CC=CCCC(=O)CF;FOCKRJYQVAFBIT-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369295;MM369295;N#CC=CCCC(=O)CF;ZXIPMLBLNSQEMT-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369296;MM369296;CCC#CC#CC(=O)NC;SRSVPMQSBHZJFB-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369297;MM369297;C=NN=CCCC(=C)CC;CZAQDFDELMEJJE-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369298;MM369298;CNC(=O)C#CC#CCN;SAFWURLXXQIJIA-UHFFFAOYSA-N;136.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369299;MM369299;C=CC(C=CC=CC)CO;SZUKVWVYFGRPQO-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369300;MM369300;CNC(=O)C#CC#CCO;WLWFWFOVCSQDCX-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369301;MM369301;C=NN=CCCC(=O)CO;QWJHHDQHPIOWDS-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369302;MM369302;CNC(=O)C#CC#CCF;MCAMFDFZIRMDHR-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369303;MM369303;C=CC=CCCC(=N)NC;FQSZYHANIJDQCX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369304;MM369304;CCC#CC#CC(=O)NN;NRLBBYBLLRHDOY-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369305;MM369305;CNC(=N)CCC=CC#N;UPPHZWSAFRCENC-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369306;MM369306;CCC#CC#CC(=O)NO;KPSPLYABFFHGFW-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369307;MM369307;C=CC=CCCC(=N)NN;FXQCXSKYARUPNI-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369308;MM369308;C=C(C#CC#CCC)OC;GYHDPFKQUIAXEZ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369309;MM369309;C=CC=CCCC(=N)NO;XRQUYYGNPJJOGB-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369310;MM369310;C=C(C#CC#CCN)OC;QVDGMVQUFZZYAF-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369311;MM369311;C=CC(C=CC=CF)CO;WMXIFTRGNJGLJY-UHFFFAOYSA-N;142.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369312;MM369312;C=C(C#CC#CCO)OC;JGGDQOFRWNHVCS-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369313;MM369313;C=CC(C=CC=NN)CO;UMFOAWDZDHSINA-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369314;MM369314;C=C(C#CC#CCF)OC;PIJWKNOEKRITIU-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369315;MM369315;C=CC=CCCC(=O)NO;BBVOBRKXHBHANY-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369316;MM369316;CCC#CC#CC(=O)OC;ZTBBNWQYZQEYMI-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369317;MM369317;C=NN=CCCC(=N)NC;ZMORPKBIORLVJR-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369318;MM369318;COC(=O)C#CC#CCF;SFTVTKNBLKMXIL-UHFFFAOYSA-N;140.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369319;MM369319;C=NN=CCCC(=N)NO;PVEOVIXWAUCPBW-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369320;MM369320;C=CC#CC#CC(=C)CC;TZKMWULVABHQMW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369321;MM369321;C#CCNN=C(NN)OC;KSBDNYKVFIMLQS-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369322;MM369322;C=C(C#CC#CC=O)CC;FXINRQGFJDVGHL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369323;MM369323;C=C(CCC=CC=O)OC;XRWQTUJICVCVCM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369324;MM369324;C=C(C#CC#CC#N)CC;HFCKXIDBMXWSBZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369325;MM369325;C=C(CCC=CC#N)OC;NQEUOMWUAMPGDA-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369326;MM369326;C=CC#CC#CC(=C)CN;XYTLPPINMNAUMS-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369327;MM369327;C=CC=CCCC(=O)OC;YUJHFGTXVYEJQC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369328;MM369328;C=CC#CC#CC(=C)CO;JFSIPYMGXGDZMI-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369329;MM369329;COC(=O)CCC=CC=O;HLAXXSHBUZMBGE-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369330;MM369330;C=C(C#CC#CC=O)CO;CXPZGXSKBHHMNP-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369331;MM369331;COC(=O)CCC=CC#N;JRCYQZAMEZGVFK-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369332;MM369332;C=CC#CC#CC(=C)CF;MJHOFIWLOSVPPD-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369333;MM369333;C=C(CC)CNC=CC=O;YLUUBHUMNIMJIC-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369334;MM369334;C=C(C#CC#CC=O)CF;PLBOVWXDRIOAKJ-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369335;MM369335;C=C(CC)CNC=CC#N;UZHXNABTJISLOZ-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369336;MM369336;C=C(C#CC#CC#N)CF;MTOWYIONEGAHGN-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369337;MM369337;O=CC=CNCC(=O)CO;ADDZSBLHTUHGGT-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369338;MM369338;C=CC#CC#CC(=O)CC;HXHGLIINYXWVAE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369339;MM369339;CCC=C1C=CC(CO)C1;OKVRCDKOZWZAGA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369340;MM369340;CCC(=O)C#CC#CC=O;LLKSUKRQZUEWOB-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369341;MM369341;C=C(CC)CN=CNC=O;UWPBZZDFWMOATM-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369342;MM369342;CCC(=O)C#CC#CC#N;XLCYLXAYTQPQJJ-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369343;MM369343;C=C(CO)CN=CNC=N;BRMMCFVOTUEKHE-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369344;MM369344;C=CC#CC#CC(=O)CO;HZMQHAKRMWBQHH-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369345;MM369345;N=CNC=NCC(=O)CF;VZXPZJGRECMRKZ-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369346;MM369346;O=CC#CC#CC(=O)CO;UVKHTUBTJFTVME-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369347;MM369347;C=NNC=NCC(=C)CN;GDCQGYQKKHFBTF-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369348;MM369348;C=CC#CC#CC(=O)CF;VDTVJJIOKXJPIE-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369349;MM369349;C=CC=C1C=CC(CO)C1;LCEMMNUZKVXMEH-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369350;MM369350;O=CC#CC#CC(=O)CF;TWFDXJDYZVYKDQ-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369351;MM369351;CN=C(N)CNC=CC=O;MDSWZPINGFPQQA-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369352;MM369352;N#CC#CC#CC(=O)CF;YNJNROAYLFUQRJ-UHFFFAOYSA-N;135.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369353;MM369353;N#CC=CNCC(=N)NO;DQXOWYKCGVNSQQ-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369354;MM369354;C=CC#CC#CC(=N)NC;KLIGFLLJEHZHQJ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369355;MM369355;CNC(=O)CNC=CC=O;OKPLKCVKBAOWAR-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369356;MM369356;CNC(=N)C#CC#CC#N;GNISPTCNWYOLQA-UHFFFAOYSA-N;131.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369357;MM369357;N#CC=CNCC(=O)NO;NSNBCEHHLWDUMM-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369358;MM369358;C=CC#CC#CC(=O)NC;CNZZGRFMVPDGLJ-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369359;MM369359;CNC(=N)CN=CNC=O;AGQXAPKSCNJYSY-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369360;MM369360;CNC(=O)C#CC#CC=O;SXLPLKIOIZNTFV-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369361;MM369361;N=CNC=NCC(=N)NN;XEICTXOPHARLMN-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369362;MM369362;C=CC#CC#CC(=C)OC;KDGXJABNBWNJIP-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369363;MM369363;N=CNC=NCC(=N)NO;FJZOKKYKWSPARA-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369364;MM369364;C=C(C#CC#CC=O)OC;OGNRDVMHOCJBQY-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369365;MM369365;NC=NC=NCC(=O)NN;ZRCRXPKXFZSXDB-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369366;MM369366;C=C(C#CC#CC#N)OC;PFYKWWQQUMVCFS-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369367;MM369367;C=C(CNC=CC#N)OC;IYWVEDRFUKDEPK-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369368;MM369368;C=CC#CC#CC(=O)OC;UWBMJGOQDOJZLZ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369369;MM369369;COC(=O)CNC=CC=O;BRPVWADKXFPUSM-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369370;MM369370;COC(=O)C#CC#CC#N;DLZJFSUWQKIGET-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369371;MM369371;C=C(CN=CNC=N)OC;XXQIGXQTYZIFJO-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369372;MM369372;C#CC#CC#CC(=C)CC;DBJWOKHMPMOZTK-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369373;MM369373;COC(=O)CN=CN=CN;CJYVSABMYPOUAN-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369374;MM369374;C#CC#CC#CC(=C)CN;QJLXPGZSICOCFT-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369375;MM369375;O=CC=C1C=CC(CO)C1;VYDAREXQSJNGKC-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369376;MM369376;C#CC#CC#CC(=C)CO;HAXQXWXPBLAJTE-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369377;MM369377;N#CC=C1C=CC(CO)C1;ZUEZJOVAJGAFJV-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369378;MM369378;C#CC#CC#CC(=C)CF;ASTYCKJHALBPII-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369379;MM369379;C=C(CO)CNN=CC#N;QCMGYQPRHYHCMI-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369380;MM369380;C#CC#CC#CC(=O)CC;JCONAQZUXCPTPR-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369381;MM369381;C#CC=C1C=CC(CO)C1;MDSHZVOXRQAUTD-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369382;MM369382;C#CC#CC#CC(=O)CF;MHFTWQLYKHVWCS-UHFFFAOYSA-N;134.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369383;MM369383;CCC(=O)CNN=CC#N;HDCAMYPCIGOJEO-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369384;MM369384;C#CC#CC#CC(=N)NC;GVZRUAYYOTWYDG-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369385;MM369385;CCCc1ncc(NC)o1;AHVXPROJPMTOGK-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369386;MM369386;C#CC#CC#CC(=O)NC;STKVYHWITWZHLC-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369387;MM369387;O=CC=NNCC(=O)CO;SCOSTSUNCYARDX-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369388;MM369388;C#CC#CC#CC(=C)OC;DPYOBUTYIDLCDS-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369389;MM369389;CC=Cc1cc(NC)no1;YDPHUOJWVIGOCR-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369390;MM369390;C#CC#CC#CC(=O)OC;ODWCKAJEZAYIIP-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369391;MM369391;C=CC=NNCC(=N)NC;LXQUABLGFRSLGO-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369392;MM369392;C=CC(=C)C#CC#CCC;CEGMJIDKIUIMSK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369393;MM369393;CN=C(N)CNN=CC=O;PRUKHMHHLLVMAH-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369394;MM369394;C=CC(=C)C#CC#CCN;SDNLPUBOKGYDQB-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369395;MM369395;C=CC=NNCC(=N)NN;GVRNQLZLFJKAAE-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369396;MM369396;C=CC(=C)C#CC#CCO;WAZBFAHXIZYWSU-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369397;MM369397;NC(CNN=CC=O)=NO;PYITUTJOGFIXSQ-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369398;MM369398;C=CC(=C)C#CC#CCF;FPEKMVSXEZIHNO-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369399;MM369399;N#CC=NNCC(=O)NO;OWXZIZDCWDTHPO-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369400;MM369400;C=C(C#CC#CCC)C=O;GXNNHRNKIDMNOH-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369401;MM369401;C=C(CNN=CC#N)OC;XSBHFGJJNVGFBG-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369402;MM369402;C=C(C#N)C#CC#CCC;FLTXFEDWJRUSJV-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369403;MM369403;C=C(C#CC#CCO)C=O;CLUKSPWZAWCVNB-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369404;MM369404;CC(C=O)CC1NC1C#N;OSFWPKKBDHPMLC-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369405;MM369405;C=C(C#N)C#CC#CCO;UEBKHRWHCULOTL-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369406;MM369406;C=CC=COCC(=C)CC;ZWXHAMIHBKIBAY-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369407;MM369407;C=C(CC)COC=CC#N;ZTHLXEBAYPTBGZ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369408;MM369408;C=C(C#CC#CCF)C=O;CLFVMKMFTWBWGL-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369409;MM369409;C=CC=COCC(=C)CO;UBDLDSLBLDBPLU-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369410;MM369410;C=C(C#N)C#CC#CCF;IQSNLEJSMQCTIW-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369411;MM369411;C=CC=COCC(=C)CF;JYBCTAPEAHXHES-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369412;MM369412;C=CC(=O)C#CC#CCC;OWXUYBKYXLYSFB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369413;MM369413;C=C(CF)COC=CC=O;JHTFGAAMZBCFPB-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369414;MM369414;C=CC(=O)C#CC#CCO;PDWHPXVBHKLIKA-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369415;MM369415;C=C(CF)COC=CC#N;MEVQZLMGJPWXON-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369416;MM369416;C=CC(=O)C#CC#CCF;WOKNCDOIYGYZGE-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369417;MM369417;C=CC=COCC(=O)CC;SNNLVKZLLHSKBL-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369418;MM369418;CCC#CC#CC(=O)C=O;FISXKFFPULWAGG-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369419;MM369419;CCC(=O)COC=CC#N;JCWHUDXNLRJRGW-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369420;MM369420;CCC#CC#CC(=O)C#N;DGYKZLAKLQVPPP-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369421;MM369421;O=CC=COCC(=O)CO;HHVUIQMSHBGLSU-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369422;MM369422;O=CC(=O)C#CC#CCF;VPOBGXJJAHSEER-UHFFFAOYSA-N;138.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369423;MM369423;N#CC=COCC(=O)CO;CMJWUPHBWDRNNA-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369424;MM369424;N#CC(=O)C#CC#CCF;KVFWULFDKALIJY-UHFFFAOYSA-N;135.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369425;MM369425;C=CC=COCC(=O)CF;CNUVOYIHHLJOSA-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369426;MM369426;C=CC#CC#CC(=C)C=C;PHYHJBAVHGGQDY-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369427;MM369427;C=NN=COCC(=C)CO;IZLZDKONNUGQDQ-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369428;MM369428;C=CC(=C)C#CC#CC=O;XOFHDJBLFFBTGH-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369429;MM369429;C=NN=COCC(=C)CF;JUMFHMVHTIMTCB-UHFFFAOYSA-N;144.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369430;MM369430;C=CC(=C)C#CC#CC#N;OZNWEHZBURSMSB-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369431;MM369431;CN=C(N)COC=CC=O;AHGGGRGPULFDSF-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369432;MM369432;C=CC#CC#CC(=C)C=O;CXFHSLGMJNYZFY-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369433;MM369433;C=CC=COCC(=N)NN;UJGNTTSBWFUADM-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369434;MM369434;C=CC#CC#CC(=C)C#N;GYCCOIYTYQRRRY-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369435;MM369435;C=CC=COCC(=N)NO;GSWQJXGMAYNAFQ-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369436;MM369436;C=C(C#CC#CC=O)C=O;ZODGTFCTIPDXPY-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369437;MM369437;NC(COC=CC=O)=NO;UBGRYIIREXHJED-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369438;MM369438;C=C(C#N)C#CC#CC=O;LLKCTBOBMGUIHS-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369439;MM369439;CNC(=O)COC=CC#N;ZHQQJJUVJMGTJE-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369440;MM369440;C=C(C#CC#CC#N)C=O;RUFKUIGQYJGESD-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369441;MM369441;O=CC=COCC(=O)NO;JENFKKXEAWGSDV-UHFFFAOYSA-N;145.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369442;MM369442;C=CC#CC#CC(=O)C=C;VTMZYQHCVRIZQQ-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369443;MM369443;C=CC=COCC(=C)OC;STERXIOAYYLDQK-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369444;MM369444;C=CC(=O)C#CC#CC=O;ZLYLKKHIELFSNZ-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369445;MM369445;C=C(COC=CC#N)OC;WFFNSEIDKZEART-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369446;MM369446;C=CC(=O)C#CC#CC#N;DYZHWHOVMVLMJV-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369447;MM369447;C=CC=COCC(=O)OC;WVYVWWYQCFHHIP-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369448;MM369448;C=CC#CC#CC(=O)C=O;BOIXVWQLOSJVPK-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369449;MM369449;C=NN=COCC(=C)OC;RAKBVPRDHCVISK-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369450;MM369450;C=CC#CC#CC(=O)C#N;YSADLOABZLPFFX-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369451;MM369451;C=CC=NOCC(=C)CC;SYEWDUWVSGWJBL-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369452;MM369452;O=CC#CC#CC(=O)C=O;ASNAALLWPXDREQ-UHFFFAOYSA-N;134.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369453;MM369453;CCCCOC=NNC=N;BGOJOBINHQQMAK-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369454;MM369454;N#CC#CC#CC(=O)C=O;COPRTPAREQWCKS-UHFFFAOYSA-N;131.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369455;MM369455;C=C(CF)CON=CC#N;XPKVGKVLBRHZDS-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369456;MM369456;N#CC(=O)C#CC#CC=O;WGONACLMZZFQIC-UHFFFAOYSA-N;131.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369457;MM369457;C=CC(CO)CCC1CC1;IOULCBHWGWNMGW-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369458;MM369458;N#CC#CC#CC(=O)C#N;CVOUPOYCVQBJLK-UHFFFAOYSA-N;128.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369459;MM369459;CCC(=O)CON=CC#N;JTCQCQWZMWJEDG-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369460;MM369460;C#CC#CC#CC(=C)C=C;QXRBOTIAIPFZMA-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369461;MM369461;C=CC(CO)CCC1CO1;QJVQSMIWSPFFTB-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369462;MM369462;C#CC#CC#CC(=C)C=O;KZRBLPXMVFGPFA-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369463;MM369463;CCC(C=CC1CC1)CO;OEQFLWYXIGIGPJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369464;MM369464;C#CC#CC#CC(=C)C#N;JSVANFOUVAYIOD-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369465;MM369465;NC(CON=CC=O)=NO;HLFWEOOWMONKRR-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369466;MM369466;C#CC#CC#CC(=O)C=C;STMTWVXISLWLEA-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369467;MM369467;CCC(C=CC1CO1)CO;KXYWPLLSFWYHFO-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369468;MM369468;C#CC#CC#CC(=O)C=O;RCCIGGFSVBFQEU-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369469;MM369469;C#CCCC(C)O;FZUOCMXBAJIQHD-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369470;MM369470;C#CC#CC#CC(=O)C#N;QXKPQILDJTXWBA-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369471;MM369471;N#CC=NOCC(=O)NO;ZZFBLEVKRUKBEI-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369472;MM369472;C#CC(=C)C#CC#CCC;AJTKGEGNUDHTSO-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369473;MM369473;C=CC=NOCC(=C)OC;IJOOKIKKJLEUSH-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369474;MM369474;C#CC(=C)C#CC#CCN;DQVKGDBFHIGLLH-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369475;MM369475;C=C(CON=CC#N)OC;YCRCGGJKOXJGGG-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369476;MM369476;C#CC(=C)C#CC#CCO;QBZQHQMQFYKSAW-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369477;MM369477;C=CC=NOCC(=O)OC;BYHFZKQQRZKIQS-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369478;MM369478;C#CC(=C)C#CC#CCF;KMDRBZJUULCUQQ-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369479;MM369479;COC(=O)CON=CC=O;GSPZXOGSWAJIEQ-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369480;MM369480;C#CC(=O)C#CC#CCC;PXAOCGDKJMPIFU-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369481;MM369481;C=CC=CCNC(=N)CC;KBBHFPKTTFAGLR-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369482;MM369482;C#CC(=O)C#CC#CCO;FNWKOVGKFBZKEP-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369483;MM369483;C=CC=CCNC(=N)CN;SYLKRVGXHYVIFC-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369484;MM369484;C#CC(=O)C#CC#CCF;UEZGZMJBONTOMZ-UHFFFAOYSA-N;134.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369485;MM369485;C=CC=CCNC(=N)CO;KIGNROUUOCFQAW-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369486;MM369486;C#CC(=C)C#CC#CC=C;AOBMAFNEUMWCRM-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369487;MM369487;NC(CO)=NCC=CC=O;YUSFZERFHTXICX-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369488;MM369488;C#CC(=C)C#CC#CC=O;OICMAYRBOMMQHM-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369489;MM369489;C#CC(=C)CC(C)O;YGWPKUUZECNXFS-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369490;MM369490;C#CC(=C)C#CC#CC#N;NGZPIOSCCFPPJV-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369491;MM369491;N#CC=CCNC(=O)CO;NPTJOUKWIIVCEZ-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369492;MM369492;C#CC(=O)C#CC#CC=C;WXYIKNHSHSBWIH-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369493;MM369493;C=NN=CCNC(=N)CC;WTODLKLFKLQLSQ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369494;MM369494;C#CC(=O)C#CC#CC=O;FAPSBSGYRXONSL-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369495;MM369495;C=NN=CCNC(=N)CN;WIQRYNIZLFQYDX-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369496;MM369496;C#CC(=O)C#CC#CC#N;FZWDPWALJQVPEI-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369497;MM369497;C=NN=CCNC(=O)CC;GCHZYHNXUGKLCO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369498;MM369498;C#CC#CC#CC(=C)C#C;INWFAFVHMRLKDL-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369499;MM369499;N=C(NO)NCC=CC=O;ZXAWFWVROBIDHB-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369500;MM369500;C#CC#CC#CC(=O)C#C;VWSQLMFDPMIHOV-UHFFFAOYSA-N;126.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369501;MM369501;C=CC=CCNC(=O)NC;WPEVBFDRQJFLIH-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369502;MM369502;CC=C(C)C#CCCCC;RCFQJHQVWUXGSS-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369503;MM369503;O=CC=CCNC(=O)NO;YPYREYCREPHVPD-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369504;MM369504;CCCCC#CC(C)=CF;LGQIFNPPPREUEF-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369505;MM369505;N#CC=CCNC(=O)NO;WGRUNGOQJVMVKY-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369506;MM369506;CC(C#CCCCF)=CF;YVFPISUHDJLGFU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369507;MM369507;C=NN=CCNC(=N)NN;KLMLGLGRWADHKZ-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369508;MM369508;CC=C(F)C#CCCCC;VXQFNGJDKNDAGQ-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369509;MM369509;C=NN=CCNC(=N)NO;NSBMPQWNNLQFMA-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369510;MM369510;CCCCC#CC(F)=CF;FSUAVSLFUHQCAW-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369511;MM369511;O=CN1CC(=O)CN1;PEBNXVGQHXIVIU-UHFFFAOYSA-N;114.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369512;MM369512;CC=C(C)C#CCOCC;KYDNRLGRVYDLAY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369513;MM369513;C=NN=CCNC(=O)NO;QJUOQMGPAHLOIA-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369514;MM369514;CCCCC#CC(C)=NN;JHJPNRBIHAUVGA-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369515;MM369515;C=NN=CCNC(=O)OC;IWLFOHAHOMYBQB-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369516;MM369516;CC(C#CCCCF)=NN;SHAFLAZQLFGLCE-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369517;MM369517;CCC(=N)NNC=CC#N;XLVQDEXOEDYWBA-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369518;MM369518;CC(C#CCCCF)=NO;BWKPGJGEDLLONH-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369519;MM369519;N#CC=CNNC(=N)CO;FAELOQNLBRGOLP-UHFFFAOYSA-N;140.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369520;MM369520;CCNCC#CC(C)=NN;VQGABTDNSIHNHD-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369521;MM369521;C#CC(C)CCC(C)O;LJBLGBDRROKTQJ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369522;MM369522;CCOCC#CC(C)=NO;SGUWVAYPDADECH-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369523;MM369523;N#CC=CNNC(=O)CO;UFNPMKYLSQWMLI-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369524;MM369524;C=CCCC#CC(C)=CC;PNVHZDHVHIWFMP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369525;MM369525;CCC(=N)NN=CNC=N;TXPVXHXMCQQVEK-UHFFFAOYSA-N;141.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369526;MM369526;C=CCCC#CC(C)=CF;SCTVDZRZGVGGOZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369527;MM369527;N=C(CF)NN=CNC=O;WCGZCWDEOUDSQB-UHFFFAOYSA-N;146.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369528;MM369528;CC(C#CCCC=O)=CF;FRMIEISAYHQREE-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369529;MM369529;N=CNC=NNC(=O)CF;WQLUEGGIBOILID-UHFFFAOYSA-N;146.13;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369530;MM369530;CC(C#CCCC#N)=CF;AAEMSNOXZLWUJG-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369531;MM369531;C=NNC=NNC(=O)CC;XCDAWNDFXFNWLW-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369532;MM369532;C=CCCC#CC(F)=CC;IFOHUVIYZRJNHD-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369533;MM369533;CNC(=N)NNC=CC#N;FLCKVGACUOEVOC-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369534;MM369534;C=CCCC#CC(F)=CF;ZNLDLLKFKIZDBQ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369535;MM369535;N#CC=CNNC(=N)NO;QOPRBMHLJJRDEL-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369536;MM369536;N#CCCC#CC(F)=CF;ZILDGXVNHXWVMC-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369537;MM369537;CNC(=O)NNC=CC#N;ODJJXDHMIUNPQW-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369538;MM369538;CC=C(C)C#CCNC=N;AXDSUJVIQRIEQR-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369539;MM369539;N#CC=CNNC(=O)NO;LJJBGNRJYQZSDP-UHFFFAOYSA-N;142.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369540;MM369540;C=C1C=CC2CC12O;HWJLWAULUHQJGV-UHFFFAOYSA-N;108.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369541;MM369541;N=CNC=NNC(=N)NN;NCORGPQUBLUFLK-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369542;MM369542;C=NOCC#CC(C)=CC;ZNHCUBFIEFNEDH-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369543;MM369543;N=C(NN)NN=CNC=O;IVOPBFAFWOUERY-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369544;MM369544;C=CCCC#CC(C)=NN;SSTGTJDOPNGBBR-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369545;MM369545;N=CNC=NNC(=N)NO;BHHWHUHTZSKFLY-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369546;MM369546;C=CCCC#CC(C)=NO;AQWABFHMVSUKHE-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369547;MM369547;CNC(=O)NN=CNC=N;OLCXTYYDKATPST-UHFFFAOYSA-N;143.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369548;MM369548;CC(C#CCCC#N)=NO;UPLLQNVXUODQKC-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369549;MM369549;N=CNC=NNC(=O)NN;LHOMDHALVCCWQZ-UHFFFAOYSA-N;144.14;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369550;MM369550;CC(C#CCNC=N)=NO;BHAGFECCJYVMGI-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369551;MM369551;NNC(=O)NN=CNC=O;YCFBQJNVPAUUBT-UHFFFAOYSA-N;145.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369552;MM369552;CC(C#CCOC=O)=NN;SMLGPOXSFVYFIJ-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369553;MM369553;O=CNC=NNC(=O)NO;JSVCLFXHICJFIX-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369554;MM369554;C=COCC#CC(C)=NO;HTBJETGACXZAFS-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369555;MM369555;COC(=O)NNC=CC#N;WPDCPUWALWNKNC-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369556;MM369556;C=NOCC#CC(C)=NN;PFUOBHKYHGZUGS-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369557;MM369557;COC(=O)NN=CNC=O;PFWIBWINVRRMFV-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369558;MM369558;C#CCCC#CC(C)=CC;VNVUSNBERVCVHD-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369559;MM369559;C=NN=CONC(=O)CO;JGQYCKDBJHLBDS-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369560;MM369560;C#CCCC#CC(C)=CF;VSKMASKJOHQJDY-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369561;MM369561;C=NN=CONC(=N)OC;UQYBTILMQLRADJ-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369562;MM369562;C#CCCC#CC(F)=CC;LYYNKPNGKMZGOW-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369563;MM369563;C=NN=CONC(=O)OC;UVFIEAQETIYPFY-UHFFFAOYSA-N;145.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369564;MM369564;C#CCCC#CC(F)=CF;GETQQLMUTGLAEX-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369565;MM369565;C=CC=CCOC(=C)CO;JXXPJIXXJWLKIA-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369566;MM369566;C#CCCC#CC(C)=NN;AIQOGGKKXOMKFJ-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369567;MM369567;C=CC=CCOC(=O)CC;MIGLWGDIGCINAY-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369568;MM369568;CC=CCC#CC(C)=CC;MMPXQJJHCZCZGW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369569;MM369569;CCC(=O)OCC=CC#N;NZATZCOHLWYVNS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369570;MM369570;CC=C(C)C#CCC=CF;PHVJWOIXDQNIHQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369571;MM369571;C=NN=CCOC(=C)CN;NPLQGKAPCCZUDG-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369572;MM369572;CC=CCC#CC(C)=CF;ZFWOYVUUWIJGML-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369573;MM369573;C=NN=CCOC(=C)CO;ZSROGRFONCZSRN-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369574;MM369574;CC=CCC#CC(F)=CC;VEDUKZNEVZXYBK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369575;MM369575;C=NN=CCOC(=O)CF;MXXRAJWRFSPZTL-UHFFFAOYSA-N;146.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369576;MM369576;CC=CCC#CC(F)=CF;HXKLKCUHZHKAJR-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369577;MM369577;C=CC=CCOC(=N)NC;HUYWQGLJQBZCLF-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369578;MM369578;CC=C(C)C#CCC=NO;QORGGOOXSFIRHG-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369579;MM369579;CNC(=N)OCC=CC=O;PQSYLQKISMUPTE-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369580;MM369580;CC=CCC#CC(C)=NN;CGQJUNHDPNOCAT-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369581;MM369581;C=CC=CCOC(=O)NC;ATIDIRJZYDWFQR-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369582;MM369582;CC=CCC#CC(C)=NO;KEXYNUSXTLYSLW-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369583;MM369583;C=NN=CCOC(=O)NC;HEHRCGZRHWCEIR-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369584;MM369584;CC#CCC#CC(C)=CC;ASUVYLFCFWYVHU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369585;MM369585;COC(=O)OCC=CC=O;MHMZPEXAJLNEBR-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369586;MM369586;CC#CCC#CC(C)=CF;GJOFKAKQSUXHQG-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369587;MM369587;C=NN=CCOC(=O)OC;QMXJZUYIQOVEGD-UHFFFAOYSA-N;144.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369588;MM369588;CC#CCC#CC(F)=CC;IYNQAHXKPHVVAR-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369589;MM369589;CCC(=O)ON=CNC=O;AINVDCBGOMWFSP-UHFFFAOYSA-N;144.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369590;MM369590;CC#CCC#CC(F)=CF;YPNJMEJGQDGPAP-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369591;MM369591;O=CNC=NOC(=O)CO;ISDXSAIRRHKEFN-UHFFFAOYSA-N;146.1;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369592;MM369592;CC#CCC#CC(C)=NN;MYNJPUAAKWXXBM-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369593;MM369593;O=CNC=NOC(=O)CF;LQVZNEUKKHNOKZ-UHFFFAOYSA-N;148.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369594;MM369594;CC#CCC#CC(C)=NO;VPYSGMRXGQQCGF-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369595;MM369595;N=C(C=O)NNCC=O;OUBXZWOMPILUFC-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369596;MM369596;CC=C(C)C#CC=CCC;PBTCPIWEKPBEEL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369597;MM369597;C#CCn1ncc(N)n1;CAHLIHMAICZHLG-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369598;MM369598;CCC=CC#CC(C)=CF;CCKJWYUETCDDCA-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369599;MM369599;C=C(C(C)O)C1CC1C;MKXMLAYTGKHIQH-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369600;MM369600;CC=C(F)C#CC=CCC;MDVHKHJTLWBZAN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369601;MM369601;COC(=O)ON=CNC=O;VGBKIISFLBDJRC-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369602;MM369602;CCC=CC#CC(F)=CF;LJQBIXFYWDUDNZ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369603;MM369603;C#CC=CCCC(=C)CC;ZLTIVVVWEUQAIR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369604;MM369604;CC=C(C)C#CC=COC;FQUAJSLJKMIOKC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369605;MM369605;C#CC=CCCC(=C)CN;CFTRKPDWEDLYGU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369606;MM369606;CNN=CC#CC(F)=CF;GEHOSSSFLCALFE-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369607;MM369607;C#CC=CCCC(=C)CO;RIUDWWQFSWRHKB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369608;MM369608;CC=C(F)C#CC=NOC;OOBIEHVONCFBBQ-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369609;MM369609;C#CC=CCCC(=C)CF;SVAOBPZGNGEOLA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369610;MM369610;CCC=CC#CC(C)=NN;UZBYYWMOJFDDOE-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369611;MM369611;C#CC=CCCC(=O)CC;JFZUURZERJPOJP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369612;MM369612;CC(C#CC=CCF)=NN;GVOMNJKNMKDREK-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369613;MM369613;C#CC=CCCC(=O)CF;ZXUKBYGBSGOMNB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369614;MM369614;CCC=CC#CC(C)=NO;KTRNPVAUGTYMSD-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369615;MM369615;C#CC=CCCC(=N)NC;LLLLQZPPPKTEOD-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369616;MM369616;CC(C#CC=CCF)=NO;ALSUVMMVMZTLNQ-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369617;MM369617;C#CC=CCCC(=O)NC;MMUBFKINTJPOKN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369618;MM369618;COC=CC#CC(C)=NN;IKCZBKOPGCRCPV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369619;MM369619;Cc1[nH]nc(NN)c1N;HVFOFRPYQJVHSA-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369620;MM369620;COC=CC#CC(C)=NO;ZPCWMQOXDAHEEM-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369621;MM369621;C#CC=CCCC(=O)NO;QXPAFHHQBWTJHJ-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369622;MM369622;CON=CC#CC(C)=NO;CAAQSBOGGRDUPY-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369623;MM369623;C#CC=CCCC(=C)OC;VPYKOPFDCMSGBW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369624;MM369624;C=CC=CC#CC(C)=CC;UBCTVONTWDXDGE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369625;MM369625;C#CC=CCCC(=O)OC;RGAQRLWYVKPOTA-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369626;MM369626;CC=C(C)C#CC=CC=O;ZCHXJXCGRXWRJN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369627;MM369627;C=Cc1n[nH]c(N)c1N;PQPRQVCESQDRAH-UHFFFAOYSA-N;124.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369628;MM369628;C=CC=CC#CC(C)=CF;BQFYNKVZIFVHRW-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369629;MM369629;C#CC=NNCC(=N)NN;WTJPWHYKPZUQIW-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369630;MM369630;CC(C#CC=CC=O)=CF;MZFKQPQMURJFSS-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369631;MM369631;C#CC1(C#N)CN=CN1;SSVHDKLRPDOLHX-UHFFFAOYSA-N;119.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369632;MM369632;CC(C#CC=CC#N)=CF;PUYJQVLCDLRNCX-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369633;MM369633;C#CC=NNCC(=O)NO;LIDCDYQAZDPNCI-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369634;MM369634;C=CC=CC#CC(F)=CC;NGMRQHGWINBRHO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369635;MM369635;C#CC=COCC(=C)CC;DWXNTCGXRQDQRZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369636;MM369636;CC=C(F)C#CC=CC#N;WWWILVYKSKWBKV-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369637;MM369637;C#CC=COCC(=C)CN;REYAJIDOQWYYPW-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369638;MM369638;C=CC=CC#CC(F)=CF;ZGYHIVOCCLTWDY-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369639;MM369639;C#CC=COCC(=C)CO;RONJSVWAKHBONG-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369640;MM369640;O=CC=CC#CC(F)=CF;OIPRXJPWUQXVHE-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369641;MM369641;C#CC=COCC(=C)CF;PPWODJDANUXRSO-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369642;MM369642;N#CC=CC#CC(F)=CF;UKSSCAHCOLWGCE-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369643;MM369643;C#CC=COCC(=O)CC;DODGLQILVDFNGE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369644;MM369644;C=NN=CC#CC(F)=CC;WUXKFYMXIPSESQ-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369645;MM369645;C#CC=COCC(=N)NC;DDUODGDMGKYARZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369646;MM369646;C=CC=CC#CC(C)=NN;MRWVUEWQGCUUKA-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369647;MM369647;C#CC=COCC(=C)OC;OXXVPUSZPXBUFD-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369648;MM369648;C=CC=CC#CC(C)=NO;JMLPQKGFJXLCTB-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369649;MM369649;C#CC=COCC(=O)OC;SZKXKFHDTMMPFV-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369650;MM369650;CC(C#CC=CC#N)=NO;LBEHNFGFIKYDBR-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369651;MM369651;C#CC=NOCC(=C)CC;SPFJHVNRLFHQKS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369652;MM369652;C=NN=CC#CC(C)=NO;IARFSZVQUCLYQZ-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369653;MM369653;C=Cc1cc(NC)no1;ZRUBRGUDVVDDGE-UHFFFAOYSA-N;124.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369654;MM369654;C#CC=CC#CC(C)=CC;CNNXITIFMOGQTR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369655;MM369655;C#CC=NOCC(=O)NO;WSSDVSJPNMGDJZ-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369656;MM369656;C#CC=CC#CC(C)=CF;JANBARGGIPZGFJ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369657;MM369657;C#CC=NOCC(=C)OC;UCABLCQCCSBNDH-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369658;MM369658;C#CC=CC#CC(F)=CC;LXUGQJJSMHYKTL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369659;MM369659;C#CC=CCNC(=N)CC;YDFVBGMRVVMFOI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369660;MM369660;C#CC=CC#CC(F)=CF;UYHUTNVBCBYMQB-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369661;MM369661;C#CC=CCNC(=O)CC;AIRQGNFPLZWNRZ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369662;MM369662;C#CC=CC#CC(C)=NN;OUSJUUCKJSMPCF-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369663;MM369663;C#CC=CCNC(=N)NO;FGEFBUABAVJAEX-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369664;MM369664;C#CC=CC#CC(C)=NO;UAQZJEVJWFIAHP-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369665;MM369665;C#CC=CCOC(=C)CO;UJAXEOAOSWMREJ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369666;MM369666;CC=C(C)C#CC#CCC;NWMAHPRSDHOERB-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369667;MM369667;C#CC=CCOC(=O)CO;VPZFGVGVDSKBEE-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369668;MM369668;CC=C(C)C#CC#CCN;ZVPAIHBREQRVLV-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369669;MM369669;C#CC=CCOC(=O)NC;YNRQBPKNBVULMZ-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369670;MM369670;CC=C(C)C#CC#CCO;BVLFTJMFPVJYRC-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369671;MM369671;O=CCC#CCN1CC1;GJQGOLHTRQEKDN-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369672;MM369672;CC=C(C)C#CC#CCF;QNXFNYCHFSHBRQ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369673;MM369673;C#CC=CCOC(=O)NO;HQIUYIYWIVPNCH-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369674;MM369674;CCC#CC#CC(C)=CF;AFCNSYBDNOYFKG-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369675;MM369675;C#CC=CCOC(=O)OC;RFUMAKMKIFIKDW-UHFFFAOYSA-N;140.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369676;MM369676;CC(C#CC#CCF)=CF;WRFJHVMVXICCDF-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369677;MM369677;C=CC(=C)CCC=CCC;SLVNYBAZDPFRFJ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369678;MM369678;CC=C(F)C#CC#CCC;GYZRTJPHHYKDJX-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369679;MM369679;C=CC(=C)CCC=CCN;VLWPJBAADLCJAL-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369680;MM369680;CC=C(F)C#CC#CCN;VFNXTXCELLBKNC-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369681;MM369681;C=CC(=C)CCC=CCO;XYSPBPCYFRCJRZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369682;MM369682;CC=C(F)C#CC#CCO;NYOXQWUQVMGVNA-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369683;MM369683;C=C(C=O)CCC=CCC;MVRIQXQTGVCWOS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369684;MM369684;CC=C(F)C#CC#CCF;PBEFFFKLULEWHL-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369685;MM369685;C=C(C#N)CCC=CCC;YRHNXVWEFHFODM-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369686;MM369686;CCC#CC#CC(F)=CF;XLIMIRCBEXOMQJ-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369687;MM369687;C=C(C=O)CCC=CCF;LASRGWLHUZKBKC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369688;MM369688;NCC#CC#CC(F)=CF;FURUNDMKFQMJGG-UHFFFAOYSA-N;141.12;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369689;MM369689;C=C(C#N)CCC=CCF;QJLPVYPCGVNZIV-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369690;MM369690;OCC#CC#CC(F)=CF;FTRWFFQGBAOBFW-UHFFFAOYSA-N;142.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369691;MM369691;C=CC(=O)CCC=CCC;DECNJXSQZFWFRX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369692;MM369692;FC=C(F)C#CC#CCF;GETKGACNEJEFCU-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369693;MM369693;C=CC(=O)CCC=CCO;KSKITXLBAQQAID-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369694;MM369694;CCC#CC#CC(C)=NN;UMTIGZYSPAKFJX-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369695;MM369695;C=CC(=O)CCC=CCF;ZKSYPDFPMHYNKJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369696;MM369696;CC(C#CC#CCF)=NN;UTRUGBTULZMRLE-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369697;MM369697;CCC=CCCC(=O)C=O;IJFHPYKOHJGCOB-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369698;MM369698;CCC#CC#CC(C)=NO;WOJVPBCQFCPWRN-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369699;MM369699;CCC=CCCC(=O)C#N;CTNRGRCRRVPHIL-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369700;MM369700;CC(C#CC#CCF)=NO;TWTSCUVDJQKOQU-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369701;MM369701;O=CC(=O)CCC=CCF;XFYGVUREFAFEJL-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369702;MM369702;C=C(C=O)CCC=NNC;GKPMQWDWEYBXON-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369703;MM369703;C=CC#CC#CC(C)=CC;STKWPKSNWFGSOQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369704;MM369704;C=C(C#N)CCC=NNC;JWJBZADPPTYPJK-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369705;MM369705;CC=C(C)C#CC#CC=O;NVWGFPYIRHZWQA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369706;MM369706;CC=C(C)C#CC#CC#N;SIEVLABHZBXAND-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369707;MM369707;C=CC(=O)CCC=NNC;RSMWZFRAQBOEJT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369708;MM369708;C=CC#CC#CC(C)=CF;LDIONXFJNJTLAS-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369709;MM369709;C=C(C#N)CNC=NCC;FCAWBVNCORFUPR-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369710;MM369710;CC(C#CC#CC=O)=CF;RHRJZFNBSQTIRA-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369711;MM369711;CCN=CNCC(=O)C#N;IRKVXQKDDSHURF-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369712;MM369712;CC(C#CC#CC#N)=CF;DKNWWZJESCSFHH-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369713;MM369713;CC(=CC(C)(C)O)CC#N;VMESLJRIZGDGDU-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369714;MM369714;C=CC#CC#CC(F)=CC;BIUQHTYWSCOERZ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369715;MM369715;C=C(C=O)CNN=CCC;SIEPJUOVIBAPRH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369716;MM369716;CC=C(F)C#CC#CC=O;LGRUSXCNULCMNV-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369717;MM369717;C=C(C)OC(C)=NNC=N;JOFRAKWKDZILJG-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369718;MM369718;C#CC#CCC(C)(C)CO;HYURKODFGSBMFY-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369719;MM369719;CC=C(F)C#CC#CC#N;FGQRPMXMVBWWAK-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369720;MM369720;CC(F)=CCN(C)CC=O;CWTZNYFHXIFMMH-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369721;MM369721;C=CC#CC#CC(F)=CF;BLYYGZHLNLBUJE-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369722;MM369722;CC(C=O)CC1(C)CN1C;IRAZFMQDPNFDFI-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369723;MM369723;O=CC#CC#CC(F)=CF;ZCSHBDRUQZZNBG-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369724;MM369724;C=C(C=O)CN(C)CC=O;NLEVAORJRIAAMD-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369725;MM369725;N#CC#CC#CC(F)=CF;ZOPBBEICKIPGFM-UHFFFAOYSA-N;137.09;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369726;MM369726;C=C(C=O)COC=CCO;SWYOTPVQHBENEA-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369727;MM369727;C=CC#CC#CC(C)=NN;YZKOKSUNTVFPGE-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369728;MM369728;C=CC(=C)COC=COC;GOQFGNPAABNWTH-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369729;MM369729;C=CC#CC#CC(C)=NO;ZRSLHLZXCRWONC-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369730;MM369730;C=C(C#N)COC=COC;HJOBGQPWOBRWCQ-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369731;MM369731;C#CC#CC#CC(C)=CC;RAOSNSQLAHDLRW-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369732;MM369732;C=CC(=O)COC=COC;NDUNFIPZSIUAFN-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369733;MM369733;C#CC#CC#CC(C)=CF;VGCJTZVJIYWHSQ-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369734;MM369734;C=C(C#N)CN(C)CC=O;YAFZEBNRRKETEN-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369735;MM369735;C#CC#CC#CC(F)=CC;YPFKHKHSVFGQGQ-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369737;MM369737;C#CC#CC#CC(F)=CF;XDQOSJMEAALHNV-UHFFFAOYSA-N;136.1;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369736;MM369736;C=CC(=C)COC=NOC;LJVAAZROJFMKRK-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369738;MM369738;C#CC(=C)CN(C)CC=O;MTNYVWVNZOJXAH-UHFFFAOYSA-N;137.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369739;MM369739;C#CC#CC#CC(C)=NN;IOVWNXBMSMAMOE-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369740;MM369740;C=CC(=C)CON=CCC;VLQXOMQVXWJQOY-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369741;MM369741;C#CC#CC#CC(C)=NO;UITFPPQUMSZRCH-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369742;MM369742;C=CC1(C)CC1C(C)CO;ZKYSIJSVVRPHNG-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369743;MM369743;CC(=CCCCCN)CN;UFUVDMAMVUQNDH-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369744;MM369744;C=C(C=O)CON=CCC;JEFCBYWNVXQZAU-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369745;MM369745;CC(=CCCCCF)CN;UUHBTYHDYOCNMD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369746;MM369746;C=C(C#N)CON=CCC;QBSAGMUXZODWEC-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369747;MM369747;CNCCCC=C(C)CO;VLDGKKZZKVGARV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369748;MM369748;CC(CO)C1CC1(C)C=O;FMNUBCJZFGTDTA-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369749;MM369749;CNCCCC=C(C)CF;IHPLGKKGZLTIIV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369750;MM369750;C=CC1(C)CCC(CO)C1;NRZCYAWAWYZAJQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369751;MM369751;CNCCCC=C(F)CO;KBQFCDGXSBYANB-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369752;MM369752;CC1(C=O)CCC(CO)C1;OVFYUXYQJFYUPT-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369753;MM369753;CCNCCC=C(C)CC;NCLRHWSBHUQORS-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369754;MM369754;C=CC(=C)CON=COC;ORQURBDURBOZRG-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369755;MM369755;CCNCCC=C(C)CN;HDDZGTDOCOSUHE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369756;MM369756;C#CC(CC)CCC(C)O;VLBGGNMYXQKZQC-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369757;MM369757;CCNCCC=C(C)CO;CCNGHMGSZBWSDU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369758;MM369758;C=CC(=N)NCC=CCC;ZJNRFNZHPMVFBG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369759;MM369759;CCNCCC=C(C)CF;OMJPJIDNPWHRCH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369760;MM369760;C=CC(=N)NCC=CCN;FIAIMVTUMIPOMN-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369761;MM369761;CCOCCC=C(C)CC;HIFSJVIKHCTNLD-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369762;MM369762;C=CC(=N)NCC=CCF;HEBRNFJJZXRWJZ-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369763;MM369763;CCOCCC=C(C)CN;IKPRIKYMVPOVBB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369764;MM369764;CCC=CCN=C(N)C=O;PKNKMMIEOUNUAY-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369765;MM369765;CCOCCC=C(C)CO;HUAZUMXUPDADKX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369766;MM369766;N=C(C=O)NCC=CCF;ZPPHMFVYBQVKCI-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369767;MM369767;CCOCCC=C(C)CF;ZBSZKGPFCAUHPO-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369768;MM369768;CC=COC(C)=NNC=N;CBASKQCNQQJRKI-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369769;MM369769;CCOCCC=C(F)CC;GDMFYDQVNPULRO-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369770;MM369770;N=CNN=C(N)OC=NN;GDLSWVAUTWXTRW-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369771;MM369771;COC(C)=CCCCCN;JQJOCMDSJKXBDZ-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369772;MM369772;N#CC(=O)NCC=CCO;BNBBWJHMYATJLC-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369773;MM369773;COC(C)=CCCCCF;YIVCADPWBLVSDU-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369774;MM369774;C=CC(=N)NCC=COC;YARAGLYVRPZCBL-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369775;MM369775;CNCCCC=C(C)OC;KVIZJZMJOLGYNI-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369776;MM369776;C=CC(C#CC)C(C)CO;YMWHWCDAUPAIRU-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369777;MM369777;CCOCCC=C(C)OC;WOTNXIYLWAUAGR-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369778;MM369778;COC=CCNC(=O)C=O;OODTZQCMDLYOHN-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369779;MM369779;CCCNCC=C(C)CC;DCNVDKQNFVDBRM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369780;MM369780;CNN=CCNC(=O)C#N;LDSCQZFLJFMOPY-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369781;MM369781;CCC(C)=CCNCCN;XUXWSDRFEBZUQB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369782;MM369782;C=CC(=N)NCC=NOC;UAUONZSFJVPJOL-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369783;MM369783;CCCNCC=C(C)CN;ZLGKPPDQLLVURB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369784;MM369784;CON=CCNC(=N)C#N;OIHZSVKWCSLIFM-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369785;MM369785;CC(=CCNCCF)CN;BVYBEKAYSPPRPM-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369786;MM369786;C=C(C(C)O)C1CC1CC;BPCMJTDSJVIIRM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369787;MM369787;CCCNCC=C(C)CF;RQAXNNZGHFVVJB-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369788;MM369788;C=CC(=N)NNC=NCC;LLIOIAGQNSGWAX-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369789;MM369789;CCC(F)=CCNCCN;NMYXGEXCHIGLLR-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369790;MM369790;C=CC(=O)NNC=NCC;JANOUVBVRINSMU-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369791;MM369791;CCCNCC=C(C)OC;JVWJATDXMCGPDV-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369792;MM369792;C#CC#CC1CCC(O)C1;IOKHNIBKUSFMRH-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369793;MM369793;COC(C)=CCNCCN;QLGSZQCQPZXTSY-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369794;MM369794;C=CC(CO)CCC#CC;ZDYOJOYVBSZLMI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369795;MM369795;COC(C)=CCNCCO;JTFSRHKZCNSWEJ-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369796;MM369796;C=CC(=N)NNC=NOC;CLLOUXQOQUGQQU-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369797;MM369797;CCC(C)=CCOCCN;WFLIJFIWCNXSPI-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369798;MM369798;C=NN=CCC(C=O)CC;RJUGUAXEIMWEAC-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369799;MM369799;CCC(C)=CCOCCO;VPHRAGVFVRGOID-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369800;MM369800;C=CC=NNC(C=O)CC;QFVDDPYQNVKQQM-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369801;MM369801;CC(=CCOCCO)CO;FOXGOOHICPPLCE-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369802;MM369802;CON=CNNC(=O)C#N;BUWFDWNNAIJKNO-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369803;MM369803;CCCOCC=C(C)CF;ONYZONLHOAUXHP-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369804;MM369804;C=CC1=NNC(=CC#N)O1;XASYGDMSELGHRO-UHFFFAOYSA-N;135.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369805;MM369805;CC(=CCOCCN)CF;MKUQTNHBYOTJGE-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369806;MM369806;C=CC(=O)NOC=NNC;GFUHGTUEAALNMS-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369807;MM369807;CC(=CCOCCO)CF;XBPGGDVHMDTAKD-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369808;MM369808;CON=CON=C(N)C=O;JNNKPRBXSLVONL-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369809;MM369809;NCCOCC=C(F)CN;MVABRNXLZXPTHW-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369810;MM369810;C=CC(=O)OCC=CCC;QZCJWPUJQODZRP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369811;MM369811;OCCOCC=C(F)CO;PQLQZGXBJMRPAY-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369812;MM369812;C=CC(=O)OCC=CCF;GUOKKUOABNLOSQ-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369813;MM369813;CCC(C)=CCOCOC;HUIUJPBADDFVBD-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369814;MM369814;CCC=CCOC(=O)C=O;YGORVLZXQPZHQA-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369815;MM369815;COCOCC=C(C)CN;CKYCIWDCTHQMOT-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369816;MM369816;C=C(C=O)OCC=COC;WUOHGJUQGORIPX-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369817;MM369817;COC(C)=CCOCCO;GPTKLPDBSQCQHH-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369818;MM369818;C=CC(=O)OCC=COC;DRCQTEJZCJXQNA-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369819;MM369819;COCOCC=C(C)OC;VMVWCMUQKXNLHK-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369820;MM369820;C=CC(=O)OCC=NNC;CYADGHNZUANEHN-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369821;MM369821;CCC(C)=COCCCN;PKBHPSVWVLSEMG-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369822;MM369822;CNN=CCOC(=O)C=O;XSSRQEHMTQINLT-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369823;MM369823;CCC(C)=COCCCO;BLJCJXZGYNRGFO-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369824;MM369824;C#CC1NC1CC(C)C=O;UNJLZQPLJULJMX-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369825;MM369825;CC(=COCCCN)CN;UTVQQICKVCTITD-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369826;MM369826;C=CC(=C)OCC=NOC;SYCTVIYJJZKJHR-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369827;MM369827;CC(=COCCCO)CN;STKTWNGSGPTULI-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369828;MM369828;CC1CN1CC#CCC=O;AZTQVANTAVLAFQ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369829;MM369829;CCC(F)=COCCCN;OBRLECDHVQFTJK-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369830;MM369830;C#CC(C#C)C1C(C)C1O;IUIHBEVIKOPMBL-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369831;MM369831;NCCCOC=C(F)CO;RSGZCIBVIYKIGG-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369832;MM369832;C#CC1C(F)C1C=NN=C;CMRNVOVJIOTPAC-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369833;MM369833;CCC(C)=COCCNC;ZYRIVPSVCCDTBV-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369834;MM369834;C=CC(=C)CCC=CC=O;YVTLCNWMYJFHID-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369835;MM369835;CNCCOC=C(C)CO;DOHYLQKCOKUPAX-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369836;MM369836;C=CC(=C)CCC=CC#N;BIRFASPPGPVFBO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369837;MM369837;CCC(F)=COCCNC;XXVNXBLGCAQXMQ-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369838;MM369838;C=CC=CCCC(=C)C=O;JWFUAGDPKSJKEL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369839;MM369839;CCC(C)=COCCOC;VXNCMGOAIOSYRM-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369840;MM369840;C=C(C=O)CCC=CC=O;MUHSGWKHKRJFOG-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369841;MM369841;CCOCOC=C(C)CF;UWDWXZLKJLYDCF-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369842;MM369842;C=C(C=O)CCC=CC#N;FSYICKCPRVUTCN-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369843;MM369843;CCOCOC=C(F)CC;XQFMHHNWAQOVIP-UHFFFAOYSA-N;148.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369844;MM369844;C=C(C#N)CCC=CC=O;GRIXPADTAYRLCI-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369845;MM369845;COC(C)=COCCCN;HXPZQEJFNPGRNQ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369846;MM369846;C=C(C#N)CCC=CC#N;XZGRHCHWWXCLPR-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369847;MM369847;COC(C)=COCCCO;CHRUWWISVCTMOX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369848;MM369848;C=CC=CCCC(=O)C=C;ICUMPVMGJLCYES-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369849;MM369849;CNCCOC=C(C)OC;SGRKBZNBUPLJBY-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369850;MM369850;C=CC(=O)CCC=CC=O;CSSNYQMUGGUSKV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369851;MM369851;COCCOC=C(C)OC;LMOALFRECPYCFE-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369852;MM369852;C=CC=CCCC(=O)C#N;YQKLCZDYMDVLSR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369853;MM369853;CCOCOC=C(C)OC;XSHYVURWXLZJNX-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369854;MM369854;N#CC=CCCC(=O)C=O;PNGJBWMBCGBHNQ-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369855;MM369855;C=CC(=C)CCC=NN=C;PTKVMBBOPCMZTE-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369856;MM369856;CCCCNN=C(C)CC;HOLOOZKGSIOCPX-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369857;MM369857;C#CC1OCC(CC)=NO1;LHRDUQMNCNNEPT-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369858;MM369858;CCC(C)=NNCCCF;CAILMTXIDCLPKV-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369859;MM369859;C=CC(=C)CNC=CC=O;IYBURONOGXMYMT-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369860;MM369860;C#Cc1cc[nH]c1N;UHJSSCKJTTVWGQ-UHFFFAOYSA-N;106.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369861;MM369861;C=CC(=C)CNC=CC#N;XEBNOSMZNOCHTC-UHFFFAOYSA-N;134.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369862;MM369862;CC(CF)=NNCCCN;DQNJMQLAIQIMEG-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369863;MM369863;C=C(C#N)CNC=CC#N;HEHPHFDACJZQAK-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369864;MM369864;CCC(C)=NNCCOC;ALSMWYWWSXWKAF-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369865;MM369865;C#CC1OCC(CF)=NO1;KSOXSFVLVPARGV-UHFFFAOYSA-N;143.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369866;MM369866;COC(C)=NNCCCN;FWJQIHNVTHQODG-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369867;MM369867;N#CC(=O)CNC=CC=O;XDNTYPJYRXWOCG-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369868;MM369868;CCC(C)=NOCCCN;RRCOWTJUMVOMDP-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369869;MM369869;C=CC(=C)CN=CNC=N;NHDSJCQBAZLNEK-UHFFFAOYSA-N;137.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369870;MM369870;CCCC=CC(C)(C)O;CTYHBWWYKXFNAV-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369871;MM369871;C=C(C#N)CN=CNC=N;GDYOISVIVBCFBM-UHFFFAOYSA-N;136.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369872;MM369872;CCC(C)=NOCCNC;TWBNLXVKWSDHOP-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369873;MM369873;C=C(C=O)CN=CNC=O;TTXTZFFEXHKXLF-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369874;MM369874;CNCCON=C(C)CF;SRAGVTCEQLATKT-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369875;MM369875;C=CC(=O)CN=CNC=O;WJAQZMIKEHRCMF-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369876;MM369876;CC(C)(O)C=CCCF;ICHGMJFBEWQLQV-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369877;MM369877;O=CNC=NCC(=O)C=O;OLQNMOGBRFJHEN-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369878;MM369878;CC(=NO)NOCCCN;RHVDAERIHIUKHY-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369879;MM369879;C#CC1OCC(C=C)=NO1;CLFXYFLWPWBDTH-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369880;MM369880;CC(=NO)NOCCCO;AFLFESZCYQUYDP-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369881;MM369881;C=CC=NNCC(=C)C=C;HRNWRHDQMRAKHV-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369882;MM369882;CCCCON=C(C)OC;MNLPTJSVAKGBRW-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369883;MM369883;C#CC1OCC(C=O)=NO1;HGPMXABSHPFFIQ-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369884;MM369884;COC(C)=NOCCCN;GTOAQSVGTQKVCE-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369885;MM369885;C=C(C=O)CNN=CC#N;JUCGKGFWNAVBQV-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369886;MM369886;CCOCON=C(C)OC;AONJMCUCSVPPEL-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369887;MM369887;NNC1=NN=C(NN)OC1;WOFABGCVQLQHJV-UHFFFAOYSA-N;144.14;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369888;MM369888;CCC(C)=CCCCC#N;MGLIRHFLOVJWAD-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369889;MM369889;CNc1ncc(OC)cn1;IXZXVQOMXSEEPO-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369890;MM369890;CC(=CCCCC#N)CO;FNZYQWMGYFHWAF-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369891;MM369891;CC=CCC(C)O;CKWLIPZHAXWCLG-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369892;MM369892;N#CC=NNCC(=O)C#N;IQOWHVNHNNHCLW-UHFFFAOYSA-N;136.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369893;MM369893;C=CCCCC=C(C)CF;FHYNCOYSUJXWPU-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369894;MM369894;C=CC=COCC(=C)C=C;YSBILBQVLIMYBN-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369895;MM369895;C=CCCCC=C(F)CC;WVSWNIHPMFISFB-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369896;MM369896;C=CC=COCC(=C)C#N;DEFRUWZHQYBCOJ-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369897;MM369897;N#CCCCC=C(F)CO;UKIZHWYRGOCTKX-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369898;MM369898;C=C(C#N)COC=CC#N;BUFHXEKRLCTEDL-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369899;MM369899;CCC(C)=CCCNC=N;QPGPDUDBJCZFLT-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369900;MM369900;C=NN=COCC(=C)C#N;XZCORPVITWPIKO-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369901;MM369901;CC(=CCCNC=N)CN;DWMKXCAHOUVZHT-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369902;MM369902;OC12C=CC(C1)C2;HUUUQZYWCPDBAI-UHFFFAOYSA-N;96.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369903;MM369903;CC(=CCCNC=O)CN;AXBLQKPAPHOGHV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369904;MM369904;C=NN=COCC(=O)C=O;DIDKDGGMAPZUOD-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369905;MM369905;CC(=CCCNC=N)CO;ONTADAGVSMOMKU-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369906;MM369906;C=CC=NOCC(=C)C=C;HAPICLVWBFQPOS-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369907;MM369907;CC(=CCCNC=N)CF;OGXXYLHAIWSQKP-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369908;MM369908;C=CC(=C)CON=CC#N;OKZVCQDXFNGYBQ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369909;MM369909;O=CNCCC=C(F)CF;IRSNCESSRFQXRH-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369910;MM369910;C=CC=NOCC(=C)C=O;KLUJONCLYAWIDJ-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369911;MM369911;C=NNCCC=C(C)CC;KMKVPAJEJXWEMU-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369912;MM369912;C=CC=NOCC(=C)C#N;JXKINJBMPICKSE-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369913;MM369913;C=COCCC=C(C)CC;WRPYYRSWPIGJFL-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369914;MM369914;OCC1CCCC1;ISQVBYGGNVVVHB-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369915;MM369915;CC(=CCCOC=O)CO;QFGXDUDTGWGSGT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369916;MM369916;CC(CO)C1CC1;OVXXOYNXYWNSJE-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369917;MM369917;O=COCCC=C(F)CO;FKNNETJIYVPHAS-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369918;MM369918;C=CC=CCNC(=N)C=C;NPFHWDZNRWXDNY-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369919;MM369919;CC(O)CC1CC1(C)C;IFZSDHNHTAPPFJ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369920;MM369920;CCC=CCC(C)O;KZUFTCBJDQXWOJ-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369921;MM369921;C=CCCCC=C(C)OC;KEBYTBBCUWIAFK-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369922;MM369922;C=CC(=N)NCC=NN=C;FKYLZAMXDYMSEW-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369923;MM369923;C=CC(=N)NNC=CC=O;IPWYMFPEAZYUFX-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369924;MM369924;COC(C)=CCCCC=O;SIRPJTSDMGKRAH-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369925;MM369925;CC(O)CC=CCF;YCXIMDSKESGDIO-UHFFFAOYSA-N;118.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369926;MM369926;COC(C)=CCCNC=N;GUTNSAQLOYONOP-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369927;MM369927;CN(CC=O)CCF;WIBDAYKOSDTIJT-UHFFFAOYSA-N;119.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369928;MM369928;C=CC(=C)CC(O)C=C;CORMASOSZGYSJP-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369929;MM369929;C=CC(=N)NN=CNC=N;GYJCYJSHKAWVOJ-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369930;MM369930;C=CCNCC=C(C)CC;MGCAORGXYQTJOS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369931;MM369931;CCCC1(C)CC1O;XSKZHQRGAKZTHP-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369932;MM369932;C=CCNCC=C(C)CF;HNMHKUFIEQNETJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369933;MM369933;C=CC(=O)NN=CNC=N;KYVDJJSCRMTPQD-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369934;MM369934;CCC(F)=CCNCC#N;QOGXAYWLXZUVPI-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369935;MM369935;C=CC(=O)NN=CNC=O;WDDVBWXOCQQZPK-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369936;MM369936;C=CCNCC=C(C)OC;OLJXLBOEYXKKIN-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369937;MM369937;Cc1[nH]nc(N)c1C;JYVPUGQZJRFFAF-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369938;MM369938;C=CC=CC(O)CC=C;SKBFCQFRELFGHY-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369939;MM369939;O=CNC=NNC(=O)C=O;QKSQMCHWQWUJAK-UHFFFAOYSA-N;143.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369940;MM369940;C=CCOCC=C(C)CC;ZCLQLLFQCMMDFO-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369941;MM369941;CCCC1C(C)C1O;ASIWNDWLQDCWDH-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369942;MM369942;C=CCOCC=C(C)CN;DOZHFONZBXFRFU-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369943;MM369943;C=CC(=O)NN=CNN=C;IGDKPHCHTRABHQ-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369944;MM369944;CC(=CCOCC=O)CO;DGRQVNHYTLUZPD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369945;MM369945;CC(C)C=CCC(C)O;DDCSBNXVMSWZLW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369946;MM369946;CCC(F)=CCOCC#N;KEDZVPWKCAPIRL-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369947;MM369947;C=CC(=O)NOC=NN=C;KENGEMYIFMTLQC-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369948;MM369948;O=CCOCC=C(F)CF;JABWFBLWRFBBJF-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369949;MM369949;C=CC(=C)OCC=CC=O;NJJZLPBNTOYLAZ-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369950;MM369950;N#CCOCC=C(F)CF;KKQQLAYLGAOWBE-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369951;MM369951;C=C(C#N)OCC=CC=O;JPKZKCQBGHBZHR-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369952;MM369952;CC(=CCONC=N)CN;UEMFODPTZNOBBG-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369953;MM369953;C=C(C#N)OCC=CC#N;GOSXMTXHZRYHSW-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369954;MM369954;CC(=CCONC=N)CO;IKRBMRCIBNKEQG-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369955;MM369955;C=NN=CCOC(=C)C=O;NYHPWVIKCSLHAX-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369956;MM369956;CC(=CCONC=N)CF;LZJZXBSFGXYTLL-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369957;MM369957;C=NN=CCOC(=C)C#N;LTMJYZDFVKCUJR-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369958;MM369958;CC(=CCONC=O)CF;LFVOPLKAYJZCRL-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369959;MM369959;CC(O)CC=CC(F)F;KFGWTTRAMFLTKG-UHFFFAOYSA-N;136.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369960;MM369960;CCC(F)=CCONC=N;AYYJGQOVHHEODS-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369961;MM369961;C=NN=CCOC(=O)C#N;IEQHFSHSWVIGQZ-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369962;MM369962;CCC(F)=CCONC=O;DCFOWULHYKTSKN-UHFFFAOYSA-N;147.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369963;MM369963;C=CC(=O)ON=CNC=O;HYZHFPUDOOTNOT-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369964;MM369964;C=CCOCC=C(C)OC;YCMDRMKCFJAFEK-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369965;MM369965;CC(F)CN(C)CC=O;ZTVNHBCFUQDFSA-UHFFFAOYSA-N;133.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369966;MM369966;COC(C)=CCOCC#N;BLWYSTTVEBWARP-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369967;MM369967;O=CNC=NOC(=O)C=O;IUGAOLDHSRYPTN-UHFFFAOYSA-N;144.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369968;MM369968;CCC(C)=COCCC#N;ALRPZZXUIYERRT-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369969;MM369969;CC1=CC(C)(O)C=C1C;GYOCXOZXRYRIQI-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369970;MM369970;C=CCCOC=C(C)CO;PXYYGIHDYOYWPN-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369971;MM369971;C#CC=CCCC(=C)C=C;WIFZGZAORPPDEY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369972;MM369972;CC(=COCCC#N)CF;ZQXPICXFPYKLQW-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369973;MM369973;C#CC=CCCC(=C)C=O;SMVBOUBQNHCCNW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369974;MM369974;CCC(F)=COCCC#N;VAMUKDASELKOEM-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369975;MM369975;C#CC=CCCC(=C)C#N;QOHCYCUBVSQWQS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369976;MM369976;C=CCCOC=C(F)CO;RGMJPUWKGIURGL-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369977;MM369977;C#CC=CCCC(=O)C=C;XBEKZYSHBSLCBC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369978;MM369978;CCC(C)=COCOC=O;WNSLKVJATNLNDA-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369979;MM369979;C#CC=CCCC(=O)C#N;NIWWVFFNBMYUBD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369980;MM369980;C=COCOC=C(C)CO;ZLKSOWPNRXQUTI-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369981;MM369981;C#CC=NNCC(=C)C=C;YSHYCTRKVIHMRX-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369982;MM369982;C=COCOC=C(C)CF;ZGWLDXPBSYXYSW-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369983;MM369983;C=CC1(C=C)CC(O)C1;NIESQDGSVDJVJT-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369984;MM369984;O=COCOC=C(F)CO;MGTVVKAGACVBDK-UHFFFAOYSA-N;150.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369985;MM369985;C#CC=COCC(=C)C=C;GUUWAJJXPLJWFH-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369986;MM369986;CC(O)CC1C(C)C1C;YCGZWDAWABTOJW-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369987;MM369987;C#CC=COCC(=C)C=O;COFJANAGHFLBAX-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369988;MM369988;C=NOCOC=C(F)CF;FZBDLOJUNIQXTC-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369989;MM369989;C#CC=COCC(=C)C#N;VKISQIOSCBKEHK-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369990;MM369990;COC(C)=COCCC=O;KYGBAMNCIJRVKY-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369991;MM369991;C#CC=COCC(=O)C=C;KTVDRPYHAREIRD-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369992;MM369992;COC(C)=COCCC#N;OPKSWOXATZKJKO-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369993;MM369993;C#CC=COCC(=O)C#N;BGVMHASWQFXHMV-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369994;MM369994;C=COCOC=C(C)OC;HXRAIUXYJBZWDJ-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369995;MM369995;C#CC=NOCC(=C)C=O;QCAWOWCERSBICT-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369996;MM369996;C=NOCOC=C(C)OC;ABQUOSXHBQHANU-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369997;MM369997;CC(O)CC=CCCF;LWKAUGOOGYKWAL-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369998;MM369998;C=CCCNN=C(C)CC;ACDMGGATJUHMPH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM369999;MM369999;C=CCC=CCC(C)O;AHORPOMHIXSVTC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370000;MM370000;C#CC(F)C(=N)NNC;DYNSRGSSEZRGBT-UHFFFAOYSA-N;129.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370001;MM370001;C#CC=CCNC(=N)C=C;GTJCSRQHTHNWQX-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370002;MM370002;C=CCc1ccc(N)[nH]1;IZGKFRTXGVBKND-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370003;MM370003;C#CC=CCNC(=N)C=O;SMNIIOZEDBJRCC-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370004;MM370004;C=COCON=C(C)CN;XLHKUGPKNSXODZ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370005;MM370005;CC(O)CC=CCC#N;RCJCQIKSQJHVGH-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370006;MM370006;CCCc1cc(N)no1;ZAXLZOMDJAHIOV-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370007;MM370007;C#CC=CCNC(=O)C#N;ZUBKRQYBFQSKLW-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370008;MM370008;C=CC1=CC2(O)CC1C2;CFCDSGLJTCMKPY-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370009;MM370009;C#CC=CCOC(=C)C#N;QLZDMOHLCNHKIO-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370010;MM370010;C=COCON=C(C)OC;AVWIIXCGXCNKTC-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370011;MM370011;C#CC(=O)CCC=CCC;OGKVPGODQNXDKZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370012;MM370012;C#CCCCC=C(C)CC;NAIYMGPEOGLFIB-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370013;MM370013;C#CCC=CCC(C)O;NNIKLQUTPVSAHM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370014;MM370014;C#CCCCC=C(C)CO;HGBDRNGFKYRTNW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370015;MM370015;C#CC(=O)CNC=NCC;GVLHHRDHFYFXBC-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370016;MM370016;C#CCCCC=C(C)OC;NMTARMUGLSDRBC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370017;MM370017;C#CC(=C)CNC=NOC;ZWLUQNQJDFLVAV-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370018;MM370018;C#CCNCC=C(C)CC;MVWNWMWWQXTKDT-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370019;MM370019;N=CNN=C(N)OC=O;LZIVWFMCYPCEOW-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370020;MM370020;C#CCNCC=C(C)CN;FXAZSJGTTYGCGD-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370021;MM370021;CCCCC1(C)CC1O;WQUDNIPCZCWCEL-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370022;MM370022;C#CCNCC=C(C)CF;NAHOXBDDLWFFAS-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370023;MM370023;C#CCC(=C)C(C)CO;CXFVVFYPNBJHQT-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370024;MM370024;C#CCOCC=C(C)CC;PPEVPGAPZXIGTQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370025;MM370025;C#CC(=C)COC=CCN;LGRIYYOLIMVFJM-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370026;MM370026;C#CCOCC=C(C)CO;UZSTZAJTKDBLOR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370027;MM370027;C#CC(=C)COC=CCO;OIYFSDVQGLCAKA-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370028;MM370028;C#CCOCC=C(F)CF;DBMDTYBRGAIRLQ-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370029;MM370029;C#CC(=C)COC=COC;MURADUPLZJJIMT-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370030;MM370030;C#CCOCC=C(C)OC;XVASMYFWENXVFF-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370031;MM370031;C=CC(O)CC1CC1C;NOXQQEAFBMQYTR-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370032;MM370032;C#CCCOC=C(C)CC;KUBRSPMFNAAOLT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370033;MM370033;C#CCCOC=C(C)CN;ZXUWADLZDBAPKB-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370034;MM370034;C#CC(=C)COC=NOC;SWBAMROEJGHGEX-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370035;MM370035;C#CC(=C)CON=CCC;NJMRULKXULMEOQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370036;MM370036;C#CCCOC=C(C)CO;WXVIDPBZYFVBFW-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370037;MM370037;C#CCCOC=C(F)CO;UNSOSWRCFXSVFE-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370038;MM370038;C#CC1=NC(=N)C(=N)N1;NWOTUQBWSMXHQG-UHFFFAOYSA-N;120.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370039;MM370039;C#CCCOC=C(C)OC;JGPGEXXYDNPXNI-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370040;MM370040;C=CC1NCC(=O)C1=C;HYUFJRLZQNJCOU-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370041;MM370041;C#CCCON=C(C)CC;XAYKJMDVNOBNDZ-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370042;MM370042;C#CCCC(C=C)CO;DDVUFVKLUBTHKS-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370043;MM370043;C#CCCONC(C)=NO;DKXOQPICIXGMGA-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370044;MM370044;C#CC(=C)CON=COC;IODJVFNBHAEJLB-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370045;MM370045;C=CC(C)=CCCCCC;JHRQUWCTFNNOLW-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370046;MM370046;C#CC(=N)NCC=CCN;BNCVTZGSUATAMB-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370047;MM370047;CC(C#N)=CCCCCF;NLYSLSRJHILLPQ-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370048;MM370048;C#CC(=O)NCC=CCN;WYUHQXPXKILWPE-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370049;MM370049;CC12CCC(CO)C1C2;AENAKLZIEFLZQN-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370050;MM370050;CCCCC1C(C)C1O;PADFCPJMRHLVIP-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370051;MM370051;CCCCCC=C(F)C=O;BNRMTTKAQGHEBA-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370052;MM370052;C=CC=CC1C(C)C1O;WDQMXTDGULNERN-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370053;MM370053;CC(F)CC=CC(C)(C)O;RSQSVYFLGGBWEP-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370054;MM370054;CN(CC=O)CC(C)(C)F;DLTPQWJIEMIYOX-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370055;MM370055;CNCCCC=C(C)C=O;VFMRVDAKEDILOY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370056;MM370056;C#CC(=C)OCC=CCN;YNPVIGGMOFDWHD-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370057;MM370057;CNCCCC=C(C)C#N;MRWAZNPFQQOIBE-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370058;MM370058;C#CC(=O)OCC=CCC;JTOGGXIKVUQAOE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370059;MM370059;CNCCCC=C(F)C#N;NGXJRGLYIKFFQB-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370060;MM370060;C#CC(=O)OCC=CCF;SKUMGKYFEKOGMI-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370061;MM370061;C=CC(C)=CCCNCC;ITSXYAHWLXLTGY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370062;MM370062;C#CC(=C)OCC=NNC;PRKGULMKXPGYSP-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370063;MM370063;C=CC(C)=CCCOCC;NUDHPDPSKMOIRO-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370064;MM370064;C#CC(=C)OCC=NOC;BIANSLPIFVDUNJ-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370065;MM370065;C=CC(C)=CCNCCC;DFLHJWVDQYYUOZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370066;MM370066;C=CC(C)(C)CCC(C)O;HFZVSLQXQUHWDT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370067;MM370067;CCCNCC=C(C)C=O;YMBDHFCOXWBUSO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370068;MM370068;C#CC(=C)CCC=CC=C;NACQWGWOXFCYCC-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370069;MM370069;CC(C=O)=CCNCCO;LWBNACZONNZUGT-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370070;MM370070;C#CC(=C)CCC=CC=O;DQPPJFRAHOXLIN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370071;MM370071;C=CC(F)=CCNCCO;XROXPKGIKFGLIC-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370072;MM370072;C#CC(=C)CCC=CC#N;WAMGNFZZMCUBIY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370073;MM370073;CCCNCC=C(F)C=O;CERXIWKEIPLEBZ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370074;MM370074;C#CC(=O)CCC=CC=O;KNRWPQIRKSPCOH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370075;MM370075;CCCNCC=C(F)C#N;SIRDNWXQIVJBTB-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370076;MM370076;C#CC(=O)CCC=CC#N;VKWMIOVWQWAQLQ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370077;MM370077;C=CC(C)=CCOCCN;QJIGPJIJJDBICX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370078;MM370078;C#CC(=C)CCC=NN=C;VGAXMVZJULLQIZ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370079;MM370079;CCCOCC=C(C)C=O;CVTAXCNOFFYUQZ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370080;MM370080;CC(O)CCC(C)(C)C=O;DJZRSXSWFOPIHJ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370081;MM370081;C=CC(F)=CCOCCO;JCHBISHSVFNBQZ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370082;MM370082;C#CC(=C)CNC=CC=O;JGNWFVYDHNPWMS-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370083;MM370083;O=CC(F)=CCOCCO;HBRBNJGAVHLCKB-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370084;MM370084;C#CC(=O)CNC=CC=O;LXYKIWQYPCWTIJ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370085;MM370085;N#CC(F)=CCOCCO;ATRNJGKOXLEZSN-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370086;MM370086;C#CC(=C)CNN=CC=C;QTTJYMSRABFZBJ-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370087;MM370087;C=CC(C)=CCOCOC;KFLKYTHNQZOUNE-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370088;MM370088;CC(C)(O)CC#CC=CF;WRQSJTPIMPIMAQ-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370089;MM370089;COCOCC=C(C)C#N;KJZPWOUBDZEWJW-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370090;MM370090;C#CC(=C)CNN=CC#N;BTVRMFCZCNMNAW-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370091;MM370091;COCOCC=C(F)C#N;YCDYNXLHDOJGMQ-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370092;MM370092;CC(O)CC=CCC(C)O;IYOUHCSBZSEBSR-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370093;MM370093;CCCCNC=C(C)C=O;ZOCFDQZSCYXPCN-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370094;MM370094;C#CC(=O)CNN=CC#N;SLWJWWSVELIQRU-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370095;MM370095;CCCCNC=C(C)C#N;FOZIALJNKXDIKK-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370096;MM370096;C#CC(=C)COC=CC=C;WXKYTQSMJRVFLN-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370097;MM370097;CCCCNC=C(F)C=O;SPAIFMWIFGEBLQ-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370098;MM370098;C#CC(=C)COC=CC#N;YRCBPOXGQWLWAS-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370099;MM370099;CCCCNC=C(F)C#N;VNMBEIHOVKZKGV-UHFFFAOYSA-N;142.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370100;MM370100;C#CC(=O)COC=CC=C;ZVLCZQDCIFGHHG-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370101;MM370101;COCCNC=C(C)C=O;QFPPSRADPOBUBY-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370102;MM370102;C#CC(=C)COC=NN=C;OOCIDKCRBUKBRP-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370103;MM370103;COCCNC=C(F)C#N;FMGNIUDYUXDSMP-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370104;MM370104;C#CC(=C)CON=CC=C;AUKBEVHOJQGHBB-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370105;MM370105;C=CC(C)=COCCCN;MRUOQZFPMUTDCC-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370106;MM370106;C#CC(=C)CON=CC#N;UFVVQLKAUZRLEL-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370107;MM370107;C=CC(F)=COCCCN;ZDSVKTISIVMGSW-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370108;MM370108;C#CC(=O)CON=CC#N;FTHOSLSVLFGTAV-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370109;MM370109;C=CC(F)=COCCNC;GLTDNSNTBODRDI-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370110;MM370110;C#CC(=N)NCC=NN=C;RDTRELPBWGDOTP-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370111;MM370111;C=CC(C)=COCCOC;FOOOHKNFAREXPZ-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370112;MM370112;C#CC(=O)NCC=NN=C;OVEMBICOQIPYTG-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370113;MM370113;COCCOC=C(C)C=O;BVEFQIRZLTUBRM-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370114;MM370114;C#CC(=N)NNC=CC#N;GPJDBDQKAAUYIZ-UHFFFAOYSA-N;134.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370115;MM370115;COCCOC=C(C)C#N;QFWOIPWPLQGRQV-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370116;MM370116;C#CC(=O)NNC=CC=O;ULMUDKWFYLEPLI-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370117;MM370117;C=CC(F)=COCCOC;XPFNFUPTLMGACE-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370118;MM370118;C#CC(=N)NN=CNC=N;UVCFSWVHZTXALQ-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370119;MM370119;COCCOC=C(F)C#N;BWIJLCXCSBXQPW-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370120;MM370120;C#CC1=CC(C)(O)C(=C)C1;DRSNYTRRIAJYCL-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370121;MM370121;CCOCOC=C(C)C#N;JFOQJNLAZUSJCE-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370122;MM370122;C#CC(=C)OCC=CC=C;DAFHJIMTBICNBI-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370123;MM370123;CCOCOC=C(F)C#N;RTHVXTULZWNZES-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370124;MM370124;C#CC(=C)OCC=CC=O;XEHSOKUCKRAKNI-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370125;MM370125;C=CC(C)=NNCCCC;DHHFFLIMPMTGQX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370126;MM370126;C#CC(=C)OCC=CC#N;HGUKVUKBCSRXQW-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370127;MM370127;C#CC(C=C)=CC(C)(C)O;JFDDXSKQINJQEV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370128;MM370128;C#CC(=O)OCC=CC=C;YARBXJYSAUVAIB-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370129;MM370129;CC(F)(F)CNN=CC=O;HCZUHAPKBKLNNU-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370130;MM370130;C#CC(=C)OCC=NN=C;CIJGAMHODOVOBU-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370131;MM370131;CNCCNN=C(C)C#N;XNNYFBXNUFZQAC-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370132;MM370132;C#CC(=O)OCC=NN=C;CREJQAYDGIERNK-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370133;MM370133;C=CC(C)=NOCCCF;UNQXIFGZEZYXRZ-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370134;MM370134;C=C(C#CC)CCC(C)O;XYTPDNUEEJHALO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370135;MM370135;CCCCON=C(C)C#N;XUZDOGCRTOBCGF-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370136;MM370136;CC(F)CCC1(C)CC1O;WJKPGFMRGHAEID-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370137;MM370137;CC(C)(O)C=CCCCF;ILACDMDUKLZTQQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370138;MM370138;C#CC=CCCC(=C)C#C;LDYDDULUZPIZOY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370139;MM370139;CC(C)(O)C=CCCC=O;DQYMERXMIVQUEM-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370140;MM370140;C#CC=CCCC(=O)C#C;HXSZFIVWCRTLCO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370141;MM370141;C=CC(C)=NOCCNC;HWOGKVKPRNKZJB-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370142;MM370142;C#CC=NNCC(=C)C#C;GUGHTVPHXLBZME-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370143;MM370143;CNCCON=C(C)C=O;YFHZTZSFCSFCQQ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370144;MM370144;C#CC=COCC(=C)C#C;CDFMOBDWANDELV-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370145;MM370145;COCCON=C(C)C=O;VGGWJBAKSGTOBY-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370146;MM370146;C#CC=COCC(=O)C#C;TWIBICKWVDUWSV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370147;MM370147;C#CC=NOCC(=C)C#C;SOWLNJBHBKZASG-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370148;MM370148;C=CCCCC=C(C)C=C;YTRFMJCFCIJIAV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370149;MM370149;C#CC=CCNC(=N)C#C;UEIORSRQOPJTLD-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370150;MM370150;C=CC(C)=CCCCC=O;KIVADGOZGDRCQS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370151;MM370151;C#CC=CCOC(=C)C#C;PHFHNUANTYOONE-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370152;MM370152;C=CCCCC=C(C)C=O;LTGZYUCMAUYXDN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370153;MM370153;CCC#CCCC(C)CC;PDKQHMAVVDDGPR-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370154;MM370154;C=CCCCC=C(C)C#N;XMSROUKTJSKDET-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370155;MM370155;CCC(C)CCC#CCN;KCGKOMFPGOOPOQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370156;MM370156;CC(C#N)=CCCCC=O;LRILIRHWUPLDPX-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370157;MM370157;CCC(C)CCC#CCO;JIYASLSCTZCBNG-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370158;MM370158;CC(C=O)=CCCCC#N;IWBQFGSCRHNUPH-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370159;MM370159;CCC(C)CCC#CCF;ZVUAZTFNOJXDAZ-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370160;MM370160;C=CC(F)=CCCCC#N;ODUJTEWMYDBKFA-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370161;MM370161;CCC#CCCC(C)CN;KAZBKKMVKUZSPX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370162;MM370162;C=CCCCC=C(F)C#N;ACZVJJDAMYBCHF-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370163;MM370163;CC(CN)CCC#CCN;PQXSWTAGRGDNNL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370164;MM370164;N#CCCCC=C(F)C=O;OLXONJQYSYDXTO-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370165;MM370165;CC(CN)CCC#CCO;BGSHDTQKKZSPJW-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370166;MM370166;CC(C#N)=CCCNC=O;PZZPNZWMMBNWEG-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370167;MM370167;CC(CN)CCC#CCF;WFDNEHYEAVQBHF-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370168;MM370168;N#CC(F)=CCCNC=N;ISONPRCRQGFBNC-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370169;MM370169;CC(C=O)C=CCC(C)O;SSRGBGDZCWBPSD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370170;MM370170;C=CC(C)=CCCNN=C;IBXZUQDRXGHLRZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370171;MM370171;C=CC(CC#N)CC(C)O;OEHMTCSNVDKLBF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370172;MM370172;C=NNCCC=C(C)C#N;WZAMEPUXLNAKCF-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370173;MM370173;CCC#CCCC(C)CF;OTOWDRKQPSUDSH-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370174;MM370174;C=CCNCC=C(C)C=C;XMSLOQGJPRIJFF-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370175;MM370175;CC(CF)CCC#CCN;KUEKSGZUHOFTPD-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370176;MM370176;C=CCNCC=C(C)C=O;WOAPVBJXSQLBBL-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370177;MM370177;CC(CF)CCC#CCO;DZKRMEPJABHYPK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370178;MM370178;CC(C#N)=CCNCC#N;YDUNIEWXIVDLCP-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370179;MM370179;CCC#CCCC(N)CC;IVAGZBIUZQJOKD-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370180;MM370180;C=CC(F)=CCNCC#N;JFBCONGKNOGDEA-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370181;MM370181;CCC(N)CCC#CCN;KJECCVJRDOMIEM-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370182;MM370182;CC(C#N)=CCNNC=N;GIIPLLAECFBFGL-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370183;MM370183;CCC(N)CCC#CCO;UAXNWBHYQGXGEZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370184;MM370184;C=CCOCC=C(C)C=O;PPJQDIHZLFDCIK-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370185;MM370185;CCC#CCCC(N)CN;ZCVJMYOCUVWXEP-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370186;MM370186;C=CCOCC=C(F)C=C;XCYWLQPMFHRURK-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370187;MM370187;CCC#CCCC(N)CO;WXMVDVJRGIEMLF-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370188;MM370188;C=CC(F)=CCOCC#N;QSMZFCWURPYIQA-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370189;MM370189;CCC#CCCC(N)CF;NZAMBZDQGJDYDM-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370190;MM370190;C=CCOCC=C(F)C=O;WXNRAWSNPSTCKX-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370191;MM370191;NCC#CCCC(N)CF;BHCHCISOLCWSMT-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370192;MM370192;N#CCOCC=C(F)C#N;GHVAPCIMNUBMPI-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370193;MM370193;CCCCC=CCC(C)O;KZFRLUUJSFZTAC-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370194;MM370194;C=CC(C)=CCONC=N;YBEKTYODDFWRCE-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370195;MM370195;CCC(O)CCC#CCN;PWRIBNQFHFOJQZ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370196;MM370196;C=CC(C)=CCONC=O;UHMVIRQOWGTGCO-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370197;MM370197;CCC#CCCC(O)CO;NCYYHKFARLZRRC-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370198;MM370198;CC(C#N)=CCONC=N;MEEOYKXCVVQVJI-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370199;MM370199;CCC#CCCC(O)CF;OUCNNNKVYOGQEK-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370200;MM370200;C=CCCNC=C(C)C=O;QJVNGDBWRRXKRH-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370201;MM370201;OCC#CCCC(O)CF;FNNSQEIRJISTPK-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370202;MM370202;CC(C=O)=CNCCC=O;HDQWZMATGQNQCJ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370203;MM370203;CCC#CCCC(F)CC;OFGNSRJHORSKEK-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370204;MM370204;CC(C#N)=CNCCC#N;GWUDIKUUMIVMTJ-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370205;MM370205;CCC(F)CCC#CCN;PJRCHZKAOMVWDQ-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370206;MM370206;N#CCCNC=C(F)C#N;RWHMWXFDEBBZCL-UHFFFAOYSA-N;139.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370207;MM370207;CCC#CCCC(F)CN;UGEOCOQREYHOEH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370208;MM370208;C=CC(C)=COCCC#N;KTITXSZOIUAERM-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370209;MM370209;NCC#CCCC(F)CO;VFXBOJWTYWNVGH-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370210;MM370210;C=CCCOC=C(C)C=O;QFUNDKHPGPGUKW-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370211;MM370211;CCC#CCCC(F)CF;XMZNZMUVWUVYIN-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370212;MM370212;CC(C#N)=COCCC#N;STKXMHKAEKBGRD-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370213;MM370213;CCC#CCCC(C)NC;YBGGGVDLAFCPMJ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370214;MM370214;C=CC(F)=COCCC#N;PFRLVUUAOLGYNB-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370215;MM370215;CNC(C)CCC#CCN;JSSMJTOZQPQIDX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370216;MM370216;C=CCCOC=C(F)C=O;HVTZHBOYLSLUHL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370217;MM370217;CNC(C)CCC#CCO;HUULSYZDVRFVNY-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370218;MM370218;N#CC(F)=COCCC=O;FUTCYLZWPVGJTK-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370219;MM370219;CNC(C)CCC#CCF;WXZNVKKNBORFQI-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370220;MM370220;N#CCCOC=C(F)C#N;OMJOITPOUIQNBQ-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370221;MM370221;CCC#CCCC(C)OC;KVBNETAYFRUOET-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370222;MM370222;C=COCOC=C(C)C=C;HXWOSWBFRSJDDZ-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370223;MM370223;COC(C)CCC#CCN;YNXSZVGZGYBUGV-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370224;MM370224;COC(C)CCC#CCO;BKPNNNJFQDPFMA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370225;MM370225;C=CC(C)=COCOC=O;RCRQWSSYHDPXII-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370226;MM370226;COC(C)CCC#CCF;FRUZYYMXTFFNDM-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370227;MM370227;C=COCOC=C(C)C=O;CNPAHRDXFQFCKC-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370228;MM370228;CCC#CCNC(C)CC;BMUFRKNSSQFCFP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370229;MM370229;C=COCOC=C(F)C=C;SDAIUHDRCIXBDV-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370230;MM370230;CCC(C)NCC#CCN;PNGFTTKXOSYLMP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370231;MM370231;C=COCOC=C(F)C#N;OGGYYIIQIDSBBQ-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370232;MM370232;CCC(C)NCC#CCF;MIIZWHPABHBXHY-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370233;MM370233;N#CC(F)=COCOC=O;HCLISZXVNUTVRJ-UHFFFAOYSA-N;145.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370234;MM370234;CCC#CCNC(C)CN;IIGCOVKKUMCJSI-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370235;MM370235;C=NOCOC=C(C)C=O;PGEBRROXLPGQTG-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370236;MM370236;CCC#CCNC(C)CO;GRWHBGCIPZWTGL-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370237;MM370237;C=NOCOC=C(C)C#N;DZQIGYIEMJLZRD-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370238;MM370238;CCC#CCOC(C)CC;UWUWNDLKVFWLTB-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370239;MM370239;C=NOCOC=C(F)C#N;LRIPKCLXOGJWTQ-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370240;MM370240;CCC(C)OCC#CCN;FZFCOHJQXUTYRA-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370241;MM370241;C=CCCNN=C(C)C=C;RNZOFEKNZCPTRS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370242;MM370242;CCC(C)OCC#CCF;YRHFWRLNWFSGFT-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370243;MM370243;CC(C)(O)C=CCCC#N;AIBVEBFWOZTMDH-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370244;MM370244;CCC#CCOC(C)CN;NMGJIDKNPLFCAY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370245;MM370245;C=CCCON=C(C)C=C;YTKILXNWBCCRDB-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370246;MM370246;CC(CN)OCC#CCN;GBQNRMMHRURYEC-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370247;MM370247;CC(C)(CO)CC#CCF;HGTVOVBHAYANNB-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370248;MM370248;CC(CN)OCC#CCO;AHOJRCAVDRXBPZ-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370249;MM370249;C=NOCON=C(C)C=O;LUDVEHOPHASCET-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370250;MM370250;CC(CN)OCC#CCF;YYBRGMBWVKNIQY-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370251;MM370251;C#CCCCC=C(C)C=C;WBUFCLASKYHPGW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370252;MM370252;CCC#CCOC(C)CO;UMAVMVTWMATTLK-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370253;MM370253;C#CCCCC=C(C)C#N;IPZSYTBAGBDWRP-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370254;MM370254;CC(CO)OCC#CCN;VSQDCFSPCLIWQM-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370255;MM370255;C#CCCCC=C(F)C=O;IMMFTXFZZUIEKC-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370256;MM370256;CC(CO)OCC#CCO;ZQYVCYSHQMXWKE-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370257;MM370257;C#CCCCC=C(F)C#N;CILYVOKCEJWCPG-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370258;MM370258;CC(CF)OCC#CCF;SLHLZNYZRDKFJF-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370259;MM370259;C#CCNCC=C(C)C=C;DPBRDRJUXCNPBZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370260;MM370260;CCC#CCOC(C)OC;PETKOPWGUSQCHZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370261;MM370261;C#CCOCC=C(C)C=O;DICYFCSJYCBXKG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370262;MM370262;COC(C)OCC#CCF;OTSINZLSLPUYGH-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370263;MM370263;C#CCOCC=C(C)C#N;XSQSLDWIRQZKCZ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370264;MM370264;CCC#CCCN(C)CC;UIDNMGVNADPFDA-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370265;MM370265;C#CCOCC=C(F)C#N;JJXDCUHCZIVMDA-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370266;MM370266;CCN(C)CCC#CCN;NHKHFIMOSOXMJV-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370267;MM370267;C#CCCNC=C(F)C=O;DQNYDFHFASXBCY-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370268;MM370268;CCN(C)CCC#CCO;IARAVAMIWHZGJA-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370269;MM370269;C#CCCOC=C(C)C=O;MUWKDPAKXLHETM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370270;MM370270;CCN(C)CCC#CCF;LUBOFWQUSFSCOB-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370271;MM370271;C#CCCOC=C(F)C=O;DBSNRBZXWMWGOT-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370272;MM370272;C=CC#CCCC(C)CC;AEEQSOZSSBOLSR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370273;MM370273;C#CCCOC=C(F)C#N;OOBCNZPNFDWLIU-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370274;MM370274;CCC(C)CCC#CC=O;QCOXUNHROCVIGB-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370275;MM370275;C=CC(O)CC(=C)C=CC;HOCKDWYUAAUWJO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370276;MM370276;CCC(C)CCC#CC#N;LWIFHSZKAAXASO-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370277;MM370277;C=CC(O)CC(=C)C=CF;BRFIGHBJLGCOHL-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370278;MM370278;C=CC#CCCC(C)CN;BDJQQGXJUQXXCF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370279;MM370279;C#CCCON=C(C)C=C;CTQVWFHPVGFISR-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370280;MM370280;CC(O)CC=CCCCF;XXEMKTDGJPTCOM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370281;MM370281;C#CCCON=C(C)C=O;GAVXNQRNRVGPJS-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370282;MM370282;CC(O)CC=CCCC=O;OXXYLNHZUPRIFE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370283;MM370283;C#CCCON=C(C)C#N;ZRAOOCMXEKKYSV-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370284;MM370284;CON=C(C)CCCC=O;SQCRLQDFJXHIRA-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370285;MM370285;C#CC(C)=CCCCCN;RPXMGUQXQXFVLQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370286;MM370286;C=CC#CCCC(C)CF;FLUCFOJMZMRYRW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370287;MM370287;C#CC(F)=CCCCCC;QCRRCTRPUJXOQF-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370288;MM370288;CC(CF)CCC#CC#N;HEPUPFZITBXQBI-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370289;MM370289;C#CC(C)=CCCNCC;TVQOQNDVEPGUCA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370290;MM370290;C=CC#CCCC(N)CC;YLGBBASVQWLCLW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370291;MM370291;C#CC(C)=CCNCCC;VBPOSCIOBWXIGZ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370292;MM370292;C=CC#CCCC(N)CN;WTDNJLJEOUYXPJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370293;MM370293;C#CC(C)=CCNCCN;ALGIQFYRFDAESA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370294;MM370294;C=CC#CCCC(N)CO;MDCWNDOLOLGRCR-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370295;MM370295;C#CC(C)=CCOCCC;SORNCVLJHURGMH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370296;MM370296;C=CC#CCCC(N)CF;MKCYVTYOLBEJJZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370297;MM370297;C#CC(C)=CCOCCN;BCGKUCUPYCAJEW-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370298;MM370298;C#CC#CCC(O)C(C)C;YTQYDECVKVGLGL-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370299;MM370299;C#CC(C)=CCOCCO;DFVLOHUOOKPSCJ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370300;MM370300;CCCCCC1(C)CC1O;CTVDCGVKYOFOMM-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370301;MM370301;C#CC(F)=CCOCCN;FBKFIUGBLFMKLM-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370302;MM370302;C=CC#CCCC(O)CO;OOMQZBQVCMVRIS-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370303;MM370303;C#CC(F)=CCOCCO;BOINRRZIGBFLTG-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370304;MM370304;O=CC#CCCC(O)CO;VJRONPQXUIXESW-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370305;MM370305;C#CC(C)=CCOCOC;FXCXEGYPLDOWPM-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370306;MM370306;C=CC#CCCC(O)CF;GJXXWGRFEKJTTN-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370307;MM370307;C#CC(C)=COCCOC;GCJKDRQLILWYCX-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370308;MM370308;O=CC#CCCC(O)CF;HBCJPVJDGHWFGF-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370309;MM370309;C#CC(F)=COCCOC;UMBNIGACOSOLDS-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370310;MM370310;N#CC#CCCC(O)CF;PSIGIYBJTHUNFW-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370311;MM370311;C#CC(C)=COCOCC;AAYRBXIPGQWIPO-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370312;MM370312;C=CC#CCCC(F)CC;MKSXVYBYVMCUKT-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370313;MM370313;C#CC(F)=COCOCC;ZHSWHRKFYIUTHK-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370314;MM370314;CCC(F)CCC#CC=O;SSSQHKHSKBCWEI-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370315;MM370315;C#CC(C)=NNCCNC;QWFQZOSQNOCATN-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370316;MM370316;CCC(F)CCC#CC#N;MMWYTZTYWDOKNT-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370317;MM370317;C#CC(C)=NOCOCC;CLBMHKRGQMQXJO-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370318;MM370318;C=CC#CCCC(F)CN;NLZUOSXCYFKNGB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370319;MM370319;C#CC(C)=CCCCC=O;XAEZHUVNNBAYRK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370320;MM370320;C=CC#CCCC(F)CO;HURUEXRADALSAQ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370321;MM370321;C#CC(C)=CCCCC#N;LFZORBGIHWXIPB-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370322;MM370322;O=CC#CCCC(F)CO;RWSZHDBFEDQFED-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370323;MM370323;C#CC(F)=CCCCC#N;LMOCQBGVQLJDGI-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370324;MM370324;N#CC#CCCC(F)CO;NWFGAUHYBOIJRL-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370325;MM370325;C#CC(C)=CCCNC=N;ZZISBXYYUAVHHZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370326;MM370326;N#CC#CCCC(F)CF;BFYWMJKPOVACRI-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370327;MM370327;C#CC(CC(C)O)C(C)C;JMDNKNKVMVGGAJ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370328;MM370328;C=CC#CCCC(C)NC;KUELBWSLNOZJAY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370329;MM370329;C#CC(F)=CCCNC=N;DQAJYZFTDWILJT-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370330;MM370330;CNC(C)CCC#CC=O;SRXFIXNEFQHRCM-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370331;MM370331;C#CC(C)=CCNCC=C;VQBHKTOCOLEFEU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370332;MM370332;CNC(C)CCC#CC#N;AMGKYEFGJGIARV-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370333;MM370333;C#CC(F)=CCNCC#N;KEIOJOGSNDYEDG-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370334;MM370334;C=CC#CCCC(C)OC;HRXIHCDCKCWSNI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370335;MM370335;C#CC(C)=CCNNC=N;CHSOJZZFOXCXLT-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370336;MM370336;COC(C)CCC#CC=O;IKENSFDJQUNNIO-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370337;MM370337;C=CCC(O)C=CC=CC;LRQNBGMHRACJAH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370338;MM370338;COC(C)CCC#CC#N;OUTDKFVBJJDBMX-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370339;MM370339;C#CC(F)=CCNNC=N;VFRCBHSTINXJGM-UHFFFAOYSA-N;141.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370340;MM370340;C=CC#CCNC(C)CC;DHFSRSBGIHSYEE-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370341;MM370341;C#CC(F)=CCNNC=O;CYUROQYMXMBMJA-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370342;MM370342;CCC(C)NCC#CC=O;RSSHUORTOPJOCT-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370343;MM370343;C#CC(C)=CCOCC=C;FFPAZHWNULHCFS-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370344;MM370344;C=CC#CCOC(C)CC;MHEJRZJMKJXDDH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370345;MM370345;CCC(C)OCC#CC=O;IVXNWUBFBRKEAW-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370346;MM370346;C#CC(C)=CCOCC=O;GTCHZKGMVQTNJS-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370347;MM370347;C#CC(C)=CCOCC#N;FXLYRDWKVNNEEO-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370348;MM370348;CCC(C)OCC#CC#N;QPBSYAVFCMMATD-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370349;MM370349;C=CC#CCOC(C)CN;BPZLLYREHXZKEV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370350;MM370350;C#CC(F)=CCOCC=O;KWJOKEXOODIHCP-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370351;MM370351;C=CC#CCOC(C)CO;GJXDNZNXQGEABS-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370352;MM370352;C#CC(F)=CCOCC#N;FCGJWFVFNOKFOD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370353;MM370353;C=CC#CCOC(C)CF;RDTSYPVQUWOXOE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370354;MM370354;C#CC(F)=CCONC=N;YFTTZRXKHJGLFR-UHFFFAOYSA-N;142.13;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370355;MM370355;CC(CF)OCC#CC=O;XVAHMJWCLLNVCE-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370356;MM370356;C#CC(F)=CCONC=O;TVESNAUUQFDNOQ-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370357;MM370357;C=CC#CCOC(C)OC;HKSKKUMSXRDAJY-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370358;MM370358;C#CC(C)=COCCC=O;ZEBAOCFVGGDGLM-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370359;MM370359;COC(C)OCC#CC=O;XBRSAMRJNCIVEI-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370360;MM370360;C#CC(C)=COCCC#N;WAQRQASRWDLRKD-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370361;MM370361;COC(C)OCC#CC#N;JKGWVLWMDLQTLG-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370362;MM370362;C#CC(F)=COCCC=O;IVUHOAGVIMVPEO-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370363;MM370363;C=CC#CCCN(C)CC;KZQOBBBOBLVFTN-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370364;MM370364;C#CC(F)=COCCC#N;BFFJEMKVKMZKAL-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370365;MM370365;CCN(C)CCC#CC#N;RWYABAWJZJBJHJ-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370366;MM370366;C#CC(C)=COCOC=C;KQIXWMPEVSOFSR-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370367;MM370367;C#CC#CCCC(C)CC;GLOXAZFHYXGIIR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370368;MM370368;C#CC(C)=COCOC=O;NIBNOFOGZGHUFF-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370369;MM370369;C#CC#CCCC(C)CN;JUCDIEHNQNDYIM-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370370;MM370370;C#CC(F)=COCOC=C;GXXKZMAEAYOLKB-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370371;MM370371;CC1(CCCCF)CC1O;MSHVGCUDJCYZTP-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370372;MM370372;C#CC(F)=COCOC=O;DHYWXBBZMNRGJM-UHFFFAOYSA-N;144.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370373;MM370373;C#CC#CCCC(C)CF;OPQCBNPJWBDCSH-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370374;MM370374;C#CC(C)=COCON=C;SAJPVVZNOPOXSM-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370375;MM370375;C#CC#CCCC(N)CC;GGRUMQIMMHOIRY-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370376;MM370376;C#CC(F)=COCON=C;ILAIMLQQCCIVIF-UHFFFAOYSA-N;143.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370377;MM370377;C#CC#CCCC(N)CN;FXIOUQYIHMUHLP-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370378;MM370378;C#CC(C)=NOCCC#N;CVRWJYNMPIACHN-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370379;MM370379;C#CC#CCCC(N)CF;UBKXPWJHORUXRA-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370380;MM370380;C#CC(C)=NOCOC=C;CVERTLLEZVOKQW-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370381;MM370381;COCCCC1(C)CC1O;XYHRFFJJMDZCTJ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370382;MM370382;C#CC(C)=NOCOC=O;GSNCESYXNDTUAZ-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370383;MM370383;C#CC#CCCC(O)CF;ZBQIAOWFCOCIID-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370384;MM370384;C#CC(C)=NOCON=C;RTPWSYNYQCDBGN-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370385;MM370385;C#CC#CCCC(F)CC;AGFCXBJHUIRQNR-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370386;MM370386;C#CCNCC=C(C)C#C;QTLQUPLJXLFOOR-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370387;MM370387;C#CC#CCCC(F)CN;GBJHKBMTXMWOSC-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370388;MM370388;C#CCOCC=C(C)C#C;AKNJORMBCCNCJO-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370389;MM370389;C#CC#CCCC(C)NC;PUIFJGYVTKGAPP-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370390;MM370390;C#CCOCC=C(F)C#C;TUYRZNUZYPRHOK-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370391;MM370391;C#CC#CCCC(C)OC;NZSLBVLABFWHMQ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370392;MM370392;C#CCCOC=C(C)C#C;PHMZZFZGQDBZKX-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370393;MM370393;C#CC#CCNC(C)CC;ZJJLLEIAPGTURL-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370394;MM370394;C#CCCOC=C(F)C#C;OFGXLBOLLMSHLD-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370395;MM370395;C#CC#CCNC(C)CN;BNFZKRJIJDSDDN-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370396;MM370396;CC=CCCC=C(C)CC;ZCWNREWUJDXSFA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370397;MM370397;C#CC#CCOC(C)CC;BYUBZLYLTLYTQQ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370398;MM370398;CC=CCCC=C(C)CN;YNBRLONGRLOETJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370399;MM370399;C#CC#CCOC(C)CN;RARPLGDWRRVXHZ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370400;MM370400;CC(=CCCC=CF)CN;RCIOADJQRGAJCD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370401;MM370401;C#CC#CCOC(C)CO;JTDAVSSLNBHFRS-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370402;MM370402;CC=CCCC=C(C)CO;PXPYCAQCRMYQSX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370403;MM370403;C#CC#CCOC(C)CF;YAMFHGYCLIXJQP-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370404;MM370404;CC=CCCC=C(C)CF;CJABYXYZLOMDIX-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370405;MM370405;C#CC#CCOC(C)OC;LYHDQDCKUAMSAG-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370406;MM370406;CC=CCCC=C(F)CC;WCOMDKBMMCQJNP-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370407;MM370407;C#CC#CCCN(C)CC;XDCZFAJWLZZZLS-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370409;MM370409;C=CC(C)CCC#CCC;VPSXYTAIPVOQSH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370408;MM370408;CCC(C)=CCCC=NN;DENXBMCQRWWIBN-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370410;MM370410;C=CC(C)CCC#CCN;PHBLCTPYKROAAM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370411;MM370411;CC(=CCCC=NO)CN;LQCNWUHVYFAHBU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370412;MM370412;C=CC(C)CCC#CCF;KKGNYIWKMUQWBO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370413;MM370413;OCC(F)=CCCC=NO;XSTMVNAHZVJXOV-UHFFFAOYSA-N;147.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370414;MM370414;CCC#CCCC(C)C=O;SFZUHNIYCXOYQR-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370415;MM370415;CCC(C)=CCN=CNC;YBFXOZFYZAQKIF-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370416;MM370416;CCC#CCCC(C)C#N;MLUMFOZYLSOAGY-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370417;MM370417;CCC(C)=CCN=CNN;JDSUEQVCHLJVKM-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370418;MM370418;CC(C=O)CCC#CCO;YDNNNTWXPBHDRO-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370419;MM370419;CN=CNCC=C(C)CN;ROJZSVBXBLLYMT-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370420;MM370420;CC(C#N)CCC#CCO;GHHKYYGQEAACDA-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370421;MM370421;CN=CNCC=C(F)CF;MSKNFHSUFCOHRW-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370422;MM370422;CC(C#N)CCC#CCF;HVRFOBYTRZEXBW-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370423;MM370423;CC=NNCC=C(C)CN;TZVHVYYXUBCKFR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370424;MM370424;C=CC(N)CCC#CCC;XPRLKQATMMWVOV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370425;MM370425;C=NOC(=NC=N)NNC;PLVVVPTZFOPPIR-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370426;MM370426;C=CCCCC1(C)CC1O;IMTDUFUCERYBJN-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370427;MM370427;CNN=C(NNC)C(C)=O;RSQPNLIDKUXQTQ-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370428;MM370428;C=CC(O)CCC#CCN;PQEYIKFGTACUJB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370429;MM370429;CC=NNCC=C(F)CF;RQBYFEBXLWLUCG-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370430;MM370430;CC1(CCCC=O)CC1O;ZOHVFVRTYUOVPP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370431;MM370431;CNC=NCC=C(C)OC;TXGHWAYZISAVNI-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370432;MM370432;CCC#CCCC(O)C=O;GBWGNCYAXQDKND-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370433;MM370433;CC=COCC=C(C)CC;FDCOOPKBVRLHBM-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370434;MM370434;CCC#CCCC(O)C#N;OZHUERSDRZDGEL-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370435;MM370435;CC=COCC=C(C)CN;JZQFRKZXEIMJNV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370436;MM370436;O=CC(O)CCC#CCO;HLMHDLARWOZNEW-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370437;MM370437;CC(=CCOC=CF)CN;DGNFWWTXQVTXMQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370438;MM370438;N#CC(O)CCC#CCO;REGHHVYWCJJPPC-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370439;MM370439;CC=COCC=C(C)CO;NIJXQLQQKXQNRL-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370440;MM370440;O=CC(O)CCC#CCF;QAUIWOIQZZOVOR-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370441;MM370441;CC(=CCOC=CF)CO;QQANKXCRHWTMHY-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370442;MM370442;N#CC(O)CCC#CCF;APAULRWWKWMRNZ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370443;MM370443;C=CC(C)(C=C)C1CC1O;JLPJFQGRHPABHA-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370444;MM370444;C=CC(F)CCC#CCC;AIFCMCNZZBPMET-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370445;MM370445;CCC(C)=CCOC=NO;KLMGXLOWFLVJKQ-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370446;MM370446;CCC#CCCC(F)C=O;VZUDHBYXHXKLGA-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370447;MM370447;CC(=CCOC=NO)CF;PWIHICQAUJLJNG-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370448;MM370448;CCC#CCCC(F)C#N;RJJPPXMQWDUQQX-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370449;MM370449;CC=NOCC=C(C)CC;QATJUCAJZCWZPO-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370450;MM370450;N#CC(F)CCC#CCF;SVVVZAXBFJEHOG-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370451;MM370451;CC=NOCC=C(C)CN;KJVYLGBWENKXLR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370452;MM370452;C=CC(C)NCC#CCC;XIVCYQVLUANIOR-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370453;MM370453;C=NOCC(=NN)C(F)F;LNGPFOLRKHHQEV-UHFFFAOYSA-N;151.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370454;MM370454;CCC#CCNC(C)C#N;NKGGUKJKXYSWBF-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370455;MM370455;COC(C)=CCOC=CF;XSNVQYIWDWWQFO-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370456;MM370456;C=CC(C)OCC#CCC;GNPNTDJFVKIQOV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370457;MM370457;CCNN=C(CF)C(C)=O;VHBMVPUCZYVGGK-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370458;MM370458;C=CC(C)OCC#CCN;NSIYBGPAKPTMOK-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370459;MM370459;COC(C)=CCOC=NO;FRNBJKLVTCZUKE-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370460;MM370460;C=CC(C)OCC#CCF;WRJUCJQIMPYWQD-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370461;MM370461;CC=NOCC=C(C)OC;FSMBZRKZTLUFRN-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370462;MM370462;CCC#CCOC(C)C=O;BNXWOFSGDNTCLY-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370463;MM370463;CC=CCOC=C(C)CC;DFZOKDTYFNLTLJ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370464;MM370464;CCC#CCOC(C)C#N;UVHAXBHKBOVVSD-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370465;MM370465;CC=CCOC=C(C)CN;CBAPQXZOJIJDAL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370466;MM370466;CC(C=O)OCC#CCF;XJHZAOAHICGSCU-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370467;MM370467;CC=CCOC=C(F)CO;JWBOHBBIZUNAED-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370468;MM370468;CC(C#N)OCC#CCF;PABJZPZBWHOHGW-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370469;MM370469;CCC(C)=COCC=NN;SHQKGWKFQMWKHY-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370470;MM370470;CCC#CCCN(C)C=N;JSDIOGLXEKMGRZ-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370471;MM370471;CCC(C)=COCC=NO;SRYPQOFAKFLHBM-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370472;MM370472;CN(C=N)CCC#CCN;VVDQXUJKNRLXAL-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370473;MM370473;CC=CCOC=C(C)OC;MLTDQYBSCGCJHR-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370474;MM370474;CN(C=N)CCC#CCF;IOQVJBDZRXAXBU-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370475;MM370475;CCC#CCCN(C)C=O;GMXCGRDMEBGBPQ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370476;MM370476;COC(C)=COCC=CF;FGOVTAFHGPTFOV-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370477;MM370477;CN(C=O)CCC#CCN;USNPNCBVPYPJPV-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370478;MM370478;COC(C)=COCC=NN;UHMOYXHWFFAEQI-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370479;MM370479;CN(C=O)CCC#CCF;NNWRLZFGFDBEQM-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370480;MM370480;CC=CCNN=C(C)CC;CTPITFKWNMEUDY-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370481;MM370481;CCC#CCCN(N)C=N;YAOXNIHRZZGNLV-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370482;MM370482;CCC(C)=NNCC=CF;FFCJOCBLUQEREV-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370483;MM370483;CCC#CCCN(N)C=O;AOLFZRGUKDDZGT-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370484;MM370484;CCC(C)=NOCC=CF;KDHICMPYEVINTL-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370485;MM370485;NN(C=O)CCC#CCF;CWMQZCQSXRSCHB-UHFFFAOYSA-N;144.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370486;MM370486;CC=CCON=C(C)CN;XYBSHGDEXSHGAW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370487;MM370487;C=NN(C)CCC#CCC;HYDPQBSQQMPJNP-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370488;MM370488;C=C(C(C)C)C1C(C)C1O;MOSUQLFYYFDUPW-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370489;MM370489;C=NN(C)CCC#CCF;RGXQIVXBVVNYBW-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370490;MM370490;CCC(C)=NOCC=NN;UFHYWIPHHZHMMI-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370491;MM370491;CN(C=N)NCC#CCN;ASCYCGPAOMODDP-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370492;MM370492;CC(=NO)NOCC=NN;MNZRFIKWAAOLFR-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370493;MM370493;CN(C=N)NCC#CCO;WKVPSMBYAUHHQD-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370494;MM370494;C=CC(C)=CCCC=CC;VZELSNCPXJNCSO-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370495;MM370495;CN(C=N)NCC#CCF;ZKOXZYMXGCEMTN-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370496;MM370496;C=CC(C)=CCCC=CF;PXJJQQCECUTVJZ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370497;MM370497;CN(C=O)NCC#CCN;ATZJVIFHIGHIMM-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370498;MM370498;CC=CCCC=C(C)C=O;KYFDCWZFQZSEPW-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370499;MM370499;CC1(CCCC#N)CC1O;JNYGCRSOAZJKBZ-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370500;MM370500;CC(C=O)=CCCC=CF;MTEUQGKMLZARLE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370501;MM370501;CCC#CCON(C)C=N;SWQGYFNRPBLUFN-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370502;MM370502;CC(C=O)=CCCC=NO;LKAOPBCRBBOQIH-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370503;MM370503;CCC#CCON(C)C=O;IQFLBEBVUAJNFB-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370504;MM370504;CC#CC(C)C1C(C)C1O;ZURXGHPIRRDPHK-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370505;MM370505;C=CC#CCCC(C)C=C;IVQUSBZIVXBINB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370506;MM370506;CC=NNCC=C(C)C=O;ZNQUWSBMRSSGKB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370507;MM370507;C=CC(C)CCC#CC=O;HDPJIKGNLMTWFX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370508;MM370508;C#CC1OCC(=NN)NO1;FVWAMYWSXDUFDO-UHFFFAOYSA-N;141.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370509;MM370509;C=CC(C)CCC#CC#N;OWYZSFGSLCGTJF-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370510;MM370510;C=CC(C)=CCOC=CC;XWPHKJREBGXAHY-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370511;MM370511;C=CC#CCCC(C)C=O;WWMPIHRKHSAGCQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370512;MM370512;CC(C=O)=CCOC=CF;OKHKTOPOLUXOIL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370513;MM370513;C=CC#CCCC(C)C#N;IVTCFTHYCZTEQN-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370514;MM370514;CCC12CCC(CO)C1C2;XEHZIRKNWJHKDX-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370515;MM370515;CC(C=O)CCC#CC#N;KMAKRXOMNKMZIB-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370516;MM370516;C=CC(C)=CCOC=NO;GSUNEMRBOAYFME-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370517;MM370517;CC(C#N)CCC#CC=O;AVUSPAVDEAOASH-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370518;MM370518;OCC1CCC2(CO)CC12;IWAWHYWBSBYSLW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370519;MM370519;CC(C#N)CCC#CC#N;MZHJBUWAVMQVSL-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370520;MM370520;C=CC(F)=CCOC=NO;HNNFNWVBNMFOGM-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370521;MM370521;C=CC#CCCC(N)C=C;ZYNIQYJIWZDHDS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370522;MM370522;O=CC(F)=CCOC=NO;FJSDMUNHNXAJKX-UHFFFAOYSA-N;147.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370523;MM370523;C=NNC(=NNC)C(C)=O;WNNWWZCZDTWNSU-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370524;MM370524;N#CC(F)=CCOC=NO;HJAMPBNKUIOCEE-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370525;MM370525;N#CCC1=CC2CC2(O)C1;NHMWUOJGKBBUAQ-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370526;MM370526;C=CC(C)=CCON=CC;SMCDNFSOTWKWAH-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370527;MM370527;C=CC#CCCC(O)C#N;UTAOFMOKBYYUAK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370528;MM370528;CC=NOCC=C(C)C#N;KVDIRFNAIWFWTG-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370529;MM370529;N#CC#CCCC(O)C=O;XDLVUOWCYIRBBJ-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370530;MM370530;C=CC(F)=CCON=CC;QFJDMCUFOYEFON-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370531;MM370531;C=CC#CCCC(F)C=C;JWCHVFBLGVNMLV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370532;MM370532;CC=NOCC=C(F)C=O;GYHCHNCJYKDMSH-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370533;MM370533;C=CC(F)CCC#CC=O;HQDREOXJALYAQJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370534;MM370534;OCC1CCC2(CF)CC12;PQCWRUIKDMSVLL-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370535;MM370535;C=CC(F)CCC#CC#N;SCFYVCJRSPBEQI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370536;MM370536;C=CC(C)=COCC=CC;IDIBHEFLBXXVRI-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370537;MM370537;C=CC#CCCC(F)C=O;PNTYAEKLEWDGJU-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370538;MM370538;CC=CCOC=C(C)C=O;NPYQUIKDUYDQSO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370539;MM370539;C=CC#CCCC(F)C#N;RXQZRSBPQVLULW-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370540;MM370540;CC=CCOC=C(C)C#N;PBHZFCYDSJUTLG-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370541;MM370541;O=CC#CCCC(F)C=O;IQEBXSPSXLULSO-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370542;MM370542;CC(C=O)=COCC=CF;HSVHXNTVOBAFIH-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370543;MM370543;C=CC#CCNC(C)C=C;QLRHJICLWHVJPH-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370544;MM370544;CC(C#N)=COCC=CF;WEKDMXRRFWFGNK-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370545;MM370545;C=CC#CCOC(C)C=C;GWEOVBMIEFZXOU-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370546;MM370546;C=CC(F)=COCC=CC;YLNCSIFIWCYISL-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370547;MM370547;C=CC(C)OCC#CC=O;ZFNXFNTYFMZAQO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370548;MM370548;O=CC(F)=COCC=CF;XEHLVRNDYVRHQW-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370549;MM370549;C=CC(C)OCC#CC#N;ONWZGRRUIUNMDY-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370550;MM370550;C=CC(C)=COCC=NN;UAHSUVFXQGBCMO-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370551;MM370551;C=CC#CCOC(C)C=O;ZAASDYBEVPCBJX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370552;MM370552;C=CC(C)=COCC=NO;BDIJZLKOZYPKHK-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370553;MM370553;C=CC#CCOC(C)C#N;ZYOKRKBYQCOPRS-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370554;MM370554;OC1CC=CC1;WEIMJSIRDZDHAH-UHFFFAOYSA-N;84.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370555;MM370555;CC(C#N)OCC#CC=O;CQKPMKCVWLRSBQ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370556;MM370556;CC(C=O)=NNCC=NO;YEFHCZNBDXXEJG-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370557;MM370557;C=CC#CCCN(C)C=N;BOHCRNHHZHXEKB-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370558;MM370558;CC(C#N)=NNCC=NO;FPADPCUEOOSIAV-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370559;MM370559;CN(C=N)CCC#CC=O;UVJWRADFLBQPLC-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370560;MM370560;C=CC(C)=NOCC=CC;VDCAMXYEQOMSNW-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370561;MM370561;CN(C=O)CCC#CC#N;KFYSWXJVXVPPNN-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370562;MM370562;C=CC(C)=NOCC=CF;WFZIUFFSXVNELW-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370563;MM370563;C=CC#CCCN(N)C=N;YLPKFPMLUQNAND-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370564;MM370564;CC=CCON=C(C)C#N;XCSGMWHOHWIKKL-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370565;MM370565;C=CC#CCCN(C)N=C;BFPWYBFBDPQEJY-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370566;MM370566;C=CC(C)=NOCC=NN;QOCRAPJEVDXQPA-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370567;MM370567;C=NN(C)CCC#CC=O;XRCXOAKGGGYWGH-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370568;MM370568;C#CC(C)=CCCC=CC;CWMXZGISBBLZEJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370569;MM370569;C=NN(C)CCC#CC#N;OLMWLRNZQRFGQO-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370570;MM370570;C#CC(C)=CCCC=NN;FJRWEKGWHJQQPZ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370571;MM370571;CN(C=O)NCC#CC=O;QKNJBDWTOJHIFF-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370572;MM370572;C#CC(C)=CCCC=NO;USABAHMPMRIYNC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370573;MM370573;C=CC#CCON(C)C=N;NGQFSTWNTUKFLX-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370574;MM370574;C#CC(C)=CCNN=CC;CYOUBTQIICVHNJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370575;MM370575;CN(C=N)OCC#CC#N;ZMZJQISBRMQWOL-UHFFFAOYSA-N;137.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370576;MM370576;C#CC(F)=CCNN=CC;FJECVDAWCBEMLS-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370577;MM370577;C#CC#CCCC(C)C=C;WUXZTLGVULFWMQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370578;MM370578;C#CC(C)=CCOC=CF;VDMHGDDQUPKZGG-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370579;MM370579;C#CC#CCCC(C)C=O;KTCXUOAVNWGPRG-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370580;MM370580;C#CC(F)=CCOC=CF;VGMPYRHRMSNEFF-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370581;MM370581;C#CC#CCCC(C)C#N;QXXLANQPSLBPPF-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370582;MM370582;CCc1cc(N)no1;INRPZCXQEPGTQB-UHFFFAOYSA-N;112.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370583;MM370583;C#CC#CCCC(N)C=C;LEEVDLGIKBLLPR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370584;MM370584;CC1(C)CC(C)(CO)C1;ATDDHIVGCOKFDO-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370585;MM370585;CC1(O)CCC(CO)CC1;VPONKVTVYYAINJ-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370586;MM370586;C#CC(F)=CCOC=NO;QKYPEOKGICUQFF-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370587;MM370587;C#CC#CCCC(F)C=C;FFWHAJBQWYCMEQ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370588;MM370588;C#CC(C)=CCON=CC;PSSDULHNLUTFNP-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370589;MM370589;C#CC#CCCC(F)C=O;JDKSCRDZMKMDQI-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370590;MM370590;C#CC(F)=CCON=CC;KEEDGLNKXJHVDR-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370591;MM370591;C#CC#CCCC(F)C#N;AAFGREYTERRONC-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370592;MM370592;C#CC(C)=COCC=CF;JMVVYMKHYQJAMP-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370593;MM370593;C#CC#CCNC(C)C#N;IHMBZCLNVKJXAJ-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370594;MM370594;C#CC(F)=COCC=CC;GROJMVFJUXSCHJ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370595;MM370595;C#CC#CCOC(C)C=C;GRGFRTCJLBYPAL-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370596;MM370596;C#CC(C)=COCC=NN;CVFJPDJGYCLWOX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370597;MM370597;C#CC#CCOC(C)C=O;XYPSBCIMRFIWGO-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370598;MM370598;C#CC(F)=COCC=NN;QZCWKMCQEBIEEO-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370599;MM370599;C#CC#CCOC(C)C#N;VAHDXARJHRWABT-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370600;MM370600;CC#CCCC=C(C)CC;WXFBAJQWSFHULN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370601;MM370601;C#CC#CCCN(C)C=N;AHVFYDXXRUGXBU-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370602;MM370602;CC#CCCC=C(C)CN;OUJUJWARCPLIOC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370603;MM370603;C#CC#CCCN(C)C=O;SJINJWHKKOYVRT-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370604;MM370604;CC#CCCC=C(C)CO;BDNQRPVHVQWUGV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370605;MM370605;CC#CCCC=C(C)CF;ZGIRNUZJQZCURV-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370606;MM370606;C#CC#CCCN(N)C=N;UWSMMAZVVBYTIG-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370607;MM370607;CC#CCCC=C(F)CC;SRPDKEVPVVMYFO-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370608;MM370608;C#CC#CCCN(C)N=C;ZXMHXHXGIGSTEN-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370609;MM370609;CC#CCCC=C(F)CO;ZMISNNCMYBPQNU-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370610;MM370610;C#CC(C)CCC#CCC;MZKVDXXXSWMRRK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370611;MM370611;CC#CCCC=C(C)OC;TZCUUUTWYSEKMX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370612;MM370612;C#CC(C)CCC#CCN;UQIGIEHNHRLTQL-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370613;MM370613;CC#CCOC=C(C)CC;RZBCSKPDKRHKCU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370614;MM370614;C#CC(C)CCC#CCO;DILYQVCKBCTOCS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370615;MM370615;CC#CCOC=C(C)CN;IXGYTQLLHLQEMA-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370616;MM370616;C#CC(N)CCC#CCC;AZFCNBGJGRKBAW-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370617;MM370617;CC#CCOC=C(C)CO;CIOZLRKVHIGZBX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370618;MM370618;C#CC(O)CCC#CCC;BWTMALSQXRTQFT-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370619;MM370619;CC#CCOC=C(C)CF;MVCXDBISLRUDOJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370620;MM370620;C#CC(F)CCC#CCC;UKJASOJGNZYEQN-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370621;MM370621;CC#CCOC=C(F)CO;GRURXGMOMUSJDQ-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370622;MM370622;C#CC(C)OCC#CCC;SJVPVHWWZPGIIT-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370623;MM370623;CC#CCOC=C(C)OC;ZEHRYZFPAXKISO-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370624;MM370624;C#CC(C)OCC#CCN;XAYQNDMDYAOCAA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370625;MM370625;CC#CCNN=C(C)CC;GZNXMEXAQSQWPS-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370626;MM370626;C#CC(C)OCC#CCO;LBKXWPVRGLLOPA-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370627;MM370627;CC#CCON=C(C)CC;FCEYVLJTSPOPRL-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370628;MM370628;C#CC(C)OCC#CCF;MMPBSXLARHXOEY-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370629;MM370629;CC#CCON=C(C)OC;NXDZVXXSBFHETK-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370630;MM370630;C#CC(C)CCC#CC=C;BSRQFYKMTNEZEN-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370631;MM370631;C=CC(C)=CCCC#CC;FMTVMTJYBUYJGW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370632;MM370632;C#CC(C)CCC#CC=O;OVDHYMJIIDBIQY-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370633;MM370633;CC#CCCC=C(C)C=O;BYMUZKGXNVDTAS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370634;MM370634;C#CC(C)CCC#CC#N;FCTQVWDKFPSGPC-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370635;MM370635;CC#CCCC=C(C)C#N;DZLWRVDKLVSMDX-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370636;MM370636;C#CC(N)CCC#CC=C;PXLSIAOGCXZJNK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370637;MM370637;C=CC(F)=CCCC#CC;JPRCJIWJFGRMKG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370638;MM370638;C#CC(O)CCC#CC=C;KBWACEHXIJANQW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370639;MM370639;CC#CCCC=C(F)C=O;QRKBQNRYKFXEAC-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370640;MM370640;C#CC(O)CCC#CC=O;BNLKRRPPJZTUCE-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370641;MM370641;CC#CCNC=C(C)C=O;KKYMYHQIEVTMEN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370642;MM370642;C#CC(O)CCC#CC#N;GTRBNZQSOOBCJZ-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370643;MM370643;CC#CCNC=C(F)C#N;VSBXLQXATWALSZ-UHFFFAOYSA-N;138.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370644;MM370644;C#CC(F)CCC#CC=O;ODGUXVJPMQIHKO-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370645;MM370645;CC#CCOC=C(C)C=O;VSMHNVQYJRBDSO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370646;MM370646;C#CC(F)CCC#CC#N;ZCYSLOVJWJSZMZ-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370647;MM370647;CC#CCOC=C(C)C#N;RQVOHLWVZXRXPM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370648;MM370648;C#CC(C)OCC#CC=C;YBUFDIXOMCPWBV-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370649;MM370649;C=CC(F)=COCC#CC;YJWCEAUDCDZSOQ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370650;MM370650;C#CC(C)OCC#CC=O;KYULJRILCUXHSE-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370651;MM370651;CC#CCOC=C(F)C#N;BVVFYQSOTZQDBS-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370652;MM370652;C#CC(C)OCC#CC#N;AOPZSHFLUOERFN-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370653;MM370653;C=CC(C)=NOCC#CC;MJLJDPLCIAYBHD-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370654;MM370654;C#CC#CCCC(C)C#C;XAHKCJCRMFVBNM-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370655;MM370655;C#CC(C)=CCCC#CC;GPAMPARKXAHSDB-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370656;MM370656;C#CC#CCCC(N)C#C;IMAYAMNPENVQNN-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370657;MM370657;C#CC(C)=COCC#CC;HELCALQAXOYAHI-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370658;MM370658;C#CC#CCCC(O)C#C;LSJCJOLWYZDHDX-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370659;MM370659;C#CC(F)=COCC#CC;PTEOXVGJURHWJA-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370660;MM370660;C#CC#CCCC(F)C#C;VJNAIIDYEJRMID-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370661;MM370661;C#CC#CCOC(C)C#C;FJAGNFRWWPXQEK-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370662;MM370662;C#CC(C)=NNCC#CC;CGIVIEHPUCPXFO-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370663;MM370663;C=C(CC)CCC#CCC;BXCOARIKPUZWFR-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370664;MM370664;C#CC(C)=NOCC#CC;RSLGWTQKLYFGPJ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370665;MM370665;C=C(CC)CCC#CCN;ASOSIOHVNYOOFS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370666;MM370666;CCC=CCC=C(C)CC;NUSPXQDMUYFBLZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370667;MM370667;C=C(CC)CCC#CCO;IOKMMOPNSRMCLM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370668;MM370668;CCC(C)=CCC=CCN;HLKUIJTWBXIRGJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370669;MM370669;C=C(CC)CCC#CCF;SKFOTBVTYLJGTG-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370670;MM370670;CCC=CCC=C(C)CN;XEWHWBCLKKBOSF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370671;MM370671;C=C(CN)CCC#CCC;HLHIPBNQVBTSAG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370672;MM370672;CC(=CCC=CCF)CN;QTJBFODJVLEGSN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370673;MM370673;C=C(CN)CCC#CCF;DODSWVRJSWEOKZ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370674;MM370674;CCC=CCC=C(C)CO;WLYIKZCTMYMOCS-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370675;MM370675;C=C(CO)CCC#CCC;XYVUVRYMYOLVFN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370676;MM370676;CC(=CCC=CCN)CO;VUNAGYVMEAEPKC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370677;MM370677;C=C(CO)CCC#CCF;QIBMOXUFXFYZMD-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370678;MM370678;CC(=CCC=CCO)CO;HWQMKIAAGNBTAG-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370679;MM370679;C=C(CF)CCC#CCC;XYQSDSXZZWQYEE-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370680;MM370680;CC(=CCC=CCF)CO;PGOXHBYCFPDKFX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370681;MM370681;C=C(CF)CCC#CCN;WVJFWKRXBOQJLM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370682;MM370682;CCC=CCC=C(C)CF;PPHMRHODBJTPCR-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370683;MM370683;C=C(CF)CCC#CCO;BOUYVEKRNRQTON-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370684;MM370684;CC(=CCC=CCN)CF;LJMDWHPQRLRIDV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370685;MM370685;C=C(CF)CCC#CCF;IYHBLZWKTSPOIT-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370686;MM370686;CC(=CCC=CCO)CF;NEGFFFBQMJWUPO-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370687;MM370687;CCC#CCCC(=O)CC;GJRYSUVUUJINOH-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370688;MM370688;CCC=CCC=C(F)CC;RADAATKAILUMCU-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370689;MM370689;CCC(=O)CCC#CCO;SLLRLYSAEHTRKR-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370690;MM370690;CCC(F)=CCC=CCO;BJSRXNQMEMUSMJ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370691;MM370691;CCC(=O)CCC#CCF;PXRHWLQVJZQMCY-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370692;MM370692;CCC(F)=CCC=CCF;OJVIJOZAIDVEGL-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370693;MM370693;CCC#CCCC(=O)CO;RAJDSKVSRZGBAL-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370694;MM370694;NCC=CCC=C(F)CF;XTYJLYVWDHFYAD-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370695;MM370695;O=C(CO)CCC#CCF;WBHQPNVCJCFIGW-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370696;MM370696;COC=CCC=C(C)CN;WZFNAWQNAVDFQY-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370697;MM370697;CCC#CCCC(=O)CF;HFAVBFCHOZMLRG-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370698;MM370698;CCC(F)=CCC=COC;LYHOYFUJADJEQR-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370699;MM370699;CCC#CCCC(=N)NC;JCEBMTNQTRFDFS-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370700;MM370700;CNN=CCC=C(C)CN;FECVJAILEQDEJC-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370701;MM370701;CNC(=N)CCC#CCN;HUOWXEUQMISZCM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370702;MM370702;C=CC(=C)CCC(C)O;DPWNQVRACQZSQS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370703;MM370703;CON=CCC=C(C)CN;GILTUJZOEBOQTN-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370704;MM370704;CNC(=N)CCC#CCO;FCIWRTMWXOSFAX-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370705;MM370705;CCC#CCCC(=N)NN;ZGENEGJCNQABLZ-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370706;MM370706;CCC(F)=CCC=NOC;NPWDCEVOVOMAKQ-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370707;MM370707;N=C(CCC#CCO)NN;XEYMSQRQWMTHPL-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370708;MM370708;COC(C)=CCC=CCN;UTOCLJBCZNWOGV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370709;MM370709;CCC#CCCC(=N)NO;LSIAMJRMAHJEIJ-UHFFFAOYSA-N;140.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370710;MM370710;CON=CCC=C(C)OC;MPBNEFWYBAFJSK-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370711;MM370711;CCC#CCCC(=O)NC;HJLKCKQVLNGUFU-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370712;MM370712;CCN=CNC=C(C)CC;PSZQMYOFTVGQMF-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370713;MM370713;CCN=CNC=C(F)CN;KWPHTIIGNUVYNA-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370714;MM370714;CNC(=O)CCC#CCN;NEYVOXSHGYPATR-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370715;MM370715;CNC(=O)CCC#CCO;OHYMEEKOBFVONE-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370716;MM370716;C=C(C=O)CCC(C)O;ZIHJICIEWBHGSM-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370717;MM370717;OCC1CCC(F)(F)CC1;XJZNZSLOHZLFQP-UHFFFAOYSA-N;150.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370718;MM370718;CCN=CNC=C(C)OC;GKSRQKCZBSLART-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370719;MM370719;C#CC(=CC)CCC(C)O;CKMUIHXCXUTCSR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370720;MM370720;CCC(C)=COC=CCN;NNUXQEXGMGOIPJ-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370721;MM370721;CCC#CCCC(=O)NO;CJLMNGDIGSZCJU-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370722;MM370722;CCC(C)=COC=CCO;LPRLAQFYPMUFLB-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370723;MM370723;C=C(CCC#CCC)OC;OWCPUNIPXLTYPC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370724;MM370724;CC(=COC=CCO)CN;GIDCQQYNSOBZFI-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370725;MM370725;C=C(CCC#CCN)OC;AXDQWFJPGHEGAU-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370726;MM370726;CC(=COC=CCF)CN;XFTKBMHFCPNHIH-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370727;MM370727;C=C(CCC#CCO)OC;CXEBEQNYARLTGP-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370728;MM370728;CC(=COC=CCF)CO;MMOLIZBGXTUIEB-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370729;MM370729;C=C(CCC#CCF)OC;NAKCACYPRCHBDO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370730;MM370730;OCC(F)=COC=CCF;SHWGGRBFCCPJCL-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370731;MM370731;COC(=O)CCC#CCF;OYPMDZYEUOKMJQ-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370732;MM370732;CCC(C)=COC=COC;PVOZJMGMQPMCFA-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370733;MM370733;COC=COC=C(C)CF;OTASRXNXOBQBOU-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370734;MM370734;CCC#CCNC(=N)CC;VVJIWRBKDHXLBI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370735;MM370735;COC=COC=C(F)CF;NXRCVLYQMSZJQN-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370736;MM370736;CCC(=N)NCC#CCN;AFDQHLPOCXTCAF-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370737;MM370737;CNN=COC=C(C)CN;SUNLDVRFMAQAEE-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370738;MM370738;CCC(=N)NCC#CCF;BUNDYCRBCHIEGS-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370739;MM370739;C#CCC1CC1(C)CO;WQCMORFFIYIZJZ-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370740;MM370740;N=C(CN)NCC#CCN;GSYLYPIGDFSRTC-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370741;MM370741;C#CC1=CC2CC2(O)C1;IAVOKZRFXVARQV-UHFFFAOYSA-N;120.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370742;MM370742;N=C(CN)NCC#CCO;IJBGSHIRQOOUGU-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370743;MM370743;C#CC1(C(C)CO)CC1;SLSORMBWHXDDAD-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370744;MM370744;N=C(CN)NCC#CCF;WSMBVZYTRYQIPH-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370745;MM370745;CCC(C)=COC=NOC;OGNWYNFEJLKATD-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370746;MM370746;N=C(CO)NCC#CCN;LAEJANSVOYBNTI-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370747;MM370747;CON=COC=C(C)CN;LDKFUFQOTZOMDI-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370748;MM370748;N=C(CO)NCC#CCO;SQVXSJWLVUWDHJ-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370749;MM370749;CCC=COC=C(C)OC;KGKVDQJGBWTFMS-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370750;MM370750;N=C(CO)NCC#CCF;CNELLGBODRVRGC-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370751;MM370751;COC(C)=COC=CCN;FTHWRGVCWGUTOA-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370752;MM370752;N=C(CF)NCC#CCN;ZNNSBXZUZRBDMS-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370753;MM370753;COC(C)=COC=CCO;RFMOKQFWLXMZMU-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370754;MM370754;CCC#CCNC(=O)CC;WGTRXVFFYUWJKL-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370755;MM370755;COC=COC=C(C)OC;YCPQFROUCPHERR-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370756;MM370756;CCC(=O)NCC#CCF;DJFOBLYOGGXWGD-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370757;MM370757;C#CCCC1(CO)CC1;GQFUEBQXXQHBRI-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370758;MM370758;NCC#CCNC(=O)CN;MEJLEZMICKBOGH-UHFFFAOYSA-N;141.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370759;MM370759;CON=COC=C(C)OC;KOZGLRYOBFNVBC-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370760;MM370760;NCC#CCNC(=O)CO;BIBDAYCGCLNPJU-UHFFFAOYSA-N;142.16;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370761;MM370761;NN=C1C=CC(CF)C1;JORFOTXZAXXRMJ-UHFFFAOYSA-N;128.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370762;MM370762;O=C(CO)NCC#CCF;FFQCGURHRLCURG-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370763;MM370763;CNc1coc(CF)n1;BNNVGFSDBAHQHB-UHFFFAOYSA-N;130.12;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370764;MM370764;CCC#CCNC(=O)CF;OEGGNIHHDSLTMB-UHFFFAOYSA-N;143.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370765;MM370765;C=CC(F)C1NC1C=O;HLOLNNUOLSIKGM-UHFFFAOYSA-N;129.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370766;MM370766;O=C(CF)NCC#CCO;IIOLJPACEBSEOR-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370767;MM370767;CC(C)(C)CC1CC1(C)O;NAIGFRGSGGCAJU-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370768;MM370768;CCC#CCNC(=N)NC;MNPWAMMRIOPLQA-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370769;MM370769;CCC1(C)CC(C)(CO)C1;RVDNRJWPLCEYIS-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370770;MM370770;CNC(=N)NCC#CCN;GAORNQFPORUDMP-UHFFFAOYSA-N;140.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370771;MM370771;C=C(C=CC)CCC(C)O;MGOWAXBILJFVCY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370772;MM370772;CNC(=N)NCC#CCO;YSWOOAVFWISXJD-UHFFFAOYSA-N;141.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370773;MM370773;CON=CON=C(C)CN;GPKYHAJMFVXCMN-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370774;MM370774;CCC#CCNC(=N)NN;VLDOZODYLSVYGL-UHFFFAOYSA-N;140.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370775;MM370775;C=CC=CCC=C(C)CC;UQKIWYSRQDFSGZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370776;MM370776;N=C(NN)NCC#CCO;BYZITPXQZJFQDR-UHFFFAOYSA-N;142.16;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370777;MM370777;CCC(C)=CCC=CC=O;WXSQTTKCTXPSHR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370778;MM370778;N=C(NN)NCC#CCF;OOOJMRTZBLDCQW-UHFFFAOYSA-N;144.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370779;MM370779;CCC(C)=CCC=CC#N;IIBJIBQXPVOHRY-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370780;MM370780;N=C(NO)NCC#CCN;AQAUKFBFFPIHGZ-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370781;MM370781;CC(=CCC=CC=O)CO;HUFJYZFKKQCIEX-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370782;MM370782;N=C(NO)NCC#CCO;XHGMGTPUKGIEEE-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370783;MM370783;CC(=CCC=CC#N)CO;AKTRVLBYVOIWSP-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370784;MM370784;N=C(NO)NCC#CCF;BMMJZLGFGVAMMJ-UHFFFAOYSA-N;145.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370785;MM370785;C=CC=CCC=C(C)CF;FNAGZQHBDXOEOH-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370786;MM370786;CNC(=O)NCC#CCN;IIFNOBITKUWTAT-UHFFFAOYSA-N;141.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370787;MM370787;CC(=CCC=CC=O)CF;PBGINIRPYMZSPJ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370788;MM370788;CNC(=O)NCC#CCO;TUSVFQJRQUKQSH-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370789;MM370789;C=CC=CCC=C(F)CC;TUSUABGOTHYINL-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370790;MM370790;CCC1(C#N)CC(=O)CN1;WUBWSKLPKURAFG-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370791;MM370791;N#CC=CCC=C(F)CO;IXSUNCOEPYLILV-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370792;MM370792;C=CC1(CCC(C)O)CC1;VJOHUEVMBFLLQJ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370793;MM370793;C=NN=CCC=C(C)CC;XZVJYIXJZVQMCT-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370794;MM370794;NCC#CCNC(=O)NO;SHXUPZYBTZGVRC-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370795;MM370795;C=NN=CCC=C(C)CN;AJUCNAYXWGHXFC-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370796;MM370796;O=C(NO)NCC#CCO;YRDWTISBOAXLEN-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370797;MM370797;C=NN=CCC=C(F)CC;LCQUDMJMMXMNJQ-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370798;MM370798;O=C(NO)NCC#CCF;YEUAWPDCTWJMGJ-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370799;MM370799;COC(C)=CCC=CC=O;XYPLOQSBDNHKAG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370800;MM370800;COC(=N)NCC#CCN;SJGQEEOMUWEIDX-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370801;MM370801;COC(C)=CCC=CC#N;XWUWZCSFFHIFIX-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370802;MM370802;CCC#CCNC(=O)OC;ZFCWTZSBMQVKTJ-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370803;MM370803;CCC(C)=CN=CNC=N;XYMDDPXBMZGWTF-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370804;MM370804;C=C(CC)OCC#CCC;VFPZUAKKOJJJOL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370805;MM370805;CC(=CN=CNC=N)CN;XTBSCNVXMKYIIT-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370806;MM370806;C=C(CC)OCC#CCN;WIAMJBABNMXZMC-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370807;MM370807;CC(=CN=CNC=N)CO;UVCADSSFIAQXCX-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370808;MM370808;C=C(CC)OCC#CCO;HDUDEUHAAVAVRD-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370809;MM370809;CC(=CN=CNC=O)CO;IYLLOOOSPNLFHL-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370810;MM370810;C=C(CC)OCC#CCF;DBJGHKIVSCNYCY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370811;MM370811;CCC(F)=CN=CNC=N;NNAQFNTVTWSPHG-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370812;MM370812;C=C(CN)OCC#CCN;AGWKHEHOKKIIFX-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370813;MM370813;CCC(F)=CN=CNC=O;KDGNHAVLDNYPFD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370814;MM370814;C=C(CN)OCC#CCO;SAAPOPOFGURGSV-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370815;MM370815;O=CNC=NC=C(F)CO;DMXXSFWIGITKFO-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370816;MM370816;C=C(CN)OCC#CCF;UKQUDEDJQLVCDP-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370817;MM370817;C=NNC=NC=C(C)CN;AXDUXWLNRJNKHT-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370818;MM370818;C=C(CO)OCC#CCC;PXCUYOOJIGUHAK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370819;MM370819;C=C(C)C(C)=C(C)C(C)O;GDVMRGBIZVPMPJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370820;MM370820;C=C(CO)OCC#CCN;IZRYDVHXFBGPHB-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370821;MM370821;C=C(CCC(C)O)C(C)=O;SURVXAZPIURAQQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370822;MM370822;C=C(CO)OCC#CCO;RWFAXKXFXDNSBL-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370823;MM370823;COC(C)=CN=CNC=O;OFRULDNALFWHPJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370824;MM370824;C=C(CO)OCC#CCF;UXFZGYHPDWLNCF-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370825;MM370825;C=CC(=C)C(O)C=C(C)C;BFNBCGPXCYGNFW-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370826;MM370826;C=C(CF)OCC#CCN;BDBJWKZFJPCRRH-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370827;MM370827;C=CC=COC=C(C)CC;ZPLJHXJNTMWKKT-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370828;MM370828;C=C(CF)OCC#CCO;XREDQCOMPJBJEU-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370829;MM370829;C=CC=COC=C(C)CN;TVNLJGZODJBFPC-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370830;MM370830;CCC#CCOC(=O)CC;RJDBFFQTIIOHBG-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370831;MM370831;C=CC=COC=C(C)CO;PVVHEKJOVYWIKP-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370832;MM370832;CCC(=O)OCC#CCF;HPBWBYLGEBWZSH-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370833;MM370833;CC(=COC=CC#N)CO;AAYPDTVIIFTBTM-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370834;MM370834;NCC#CCOC(=O)CN;VOLWPRWXQSKNCX-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370835;MM370835;CCC(F)=COC=CC#N;ABKWHYFLEBGPAC-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370836;MM370836;CCC#CCOC(=O)CO;LBHIPTLCACOUEC-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370837;MM370837;C=CC=COC=C(F)CO;RSLFVYCKIUTFNU-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370838;MM370838;NCC#CCOC(=O)CO;UHHATJGODHKHMC-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370839;MM370839;O=CC=COC=C(F)CO;IVAVNSYGVAGDKI-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370840;MM370840;O=C(CO)OCC#CCF;XIETXUGPGJFHKK-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370841;MM370841;C=NN=COC=C(C)CC;GXCCYKSYPMKXPC-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370842;MM370842;CCC#CCOC(=O)CF;FWOSMKYCCSUJMN-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370843;MM370843;C=NN=COC=C(C)CO;XYTLIUSFQUPGCK-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370844;MM370844;NCC#CCOC(=O)CF;FYTVGJDLMYJQTO-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370845;MM370845;C=NN=COC=C(C)CF;IJBWXWCCBUIYJS-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370846;MM370846;O=C(CF)OCC#CCO;VOXWJZXSNKVPGN-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370847;MM370847;C=NN=COC=C(F)CC;ZLSGUJLYENTUDT-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370848;MM370848;O=C(CF)OCC#CCF;ZPRJODUCPWPFAR-UHFFFAOYSA-N;148.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370849;MM370849;C=CC=COC=C(C)OC;CYQJNNHGYXLSMD-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370850;MM370850;CCC#CCOC(=N)NC;VAHMKARQMIDOJH-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370851;MM370851;COC(C)=COC=CC=O;RVAFWNXASJPNRX-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370852;MM370852;CNC(=N)OCC#CCO;HLKYBPKFUSMXPT-UHFFFAOYSA-N;142.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370853;MM370853;COC(C)=COC=CC#N;QDPACBLGIRYOLL-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370854;MM370854;CCC#CCOC(=O)NC;CMRKRKFFNRQMGT-UHFFFAOYSA-N;141.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370855;MM370855;C=NN=COC=C(C)OC;CENKNWYEVZESFN-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370856;MM370856;CC(O)CCC1(C=O)CC1;JOAHSEUWEOJBFX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370857;MM370857;C=CC1(O)C=C(C)C=C1C;YDBRGGOPWABKMU-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370858;MM370858;O=C(NO)OCC#CCO;VHXOMUHUEZKFOO-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370859;MM370859;C=NN=CON=C(C)OC;QNXVPTBQXSLBPO-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370860;MM370860;CCC#CCOC(=O)OC;XYYDSIZKIFGEEK-UHFFFAOYSA-N;142.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370861;MM370861;C#CC=CCC=C(C)CC;MMYPOKZNCVEPIK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370862;MM370862;COC(=O)OCC#CCN;BLBONILDTFZENY-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370863;MM370863;C#CC=CCC=C(C)CN;UESZMXFFUGLOQL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370864;MM370864;COC(=O)OCC#CCF;HZDFMXUTUOLOFY-UHFFFAOYSA-N;146.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370865;MM370865;C#CC=CCC=C(C)CO;AFOHAJOGGXLBIV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370866;MM370866;C=CC#CCCC(=C)CC;IAPBTKPOZILGMO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370867;MM370867;C#CC=CCC=C(C)CF;ZZZWFFDKPLZIPC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370868;MM370868;C=C(CC)CCC#CC=O;IUGXNSUCAKXBHP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370869;MM370869;C#CC=CCC=C(F)CC;YDHJCLKFIKJAIC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370870;MM370870;C=C(CC)CCC#CC#N;FJYPIBCUDONLOK-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370871;MM370871;C#CC=COC=C(C)CN;KBENKGWWOGOSFA-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370872;MM370872;C=CC#CCCC(=C)CN;XAMKPCONYQFMCX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370873;MM370873;C=CC#CCCC(=C)CO;ITDOJHXZQSZTRM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370874;MM370874;C#CC=COC=C(C)CO;YOPWDDNCYQTXKK-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370875;MM370875;C=C(CO)CCC#CC=O;UZVWCHPYIFALCB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370876;MM370876;C#CC=COC=C(C)CF;HOQIRRMCGUYMSN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370877;MM370877;C=CC#CCCC(=C)CF;AEDLAONTRCUHRQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370878;MM370878;C#CC=COC=C(F)CC;CBYVFDHEEVBZME-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370879;MM370879;C=C(CF)CCC#CC=O;GZSZAUQDIWYDPJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370880;MM370880;C#CC=COC=C(F)CO;ZEYJTHXKUOSZNJ-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370881;MM370881;C=CC#CCCC(=O)CC;NJTRZQZQMBJEHU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370882;MM370882;C#CC=COC=C(C)OC;IUDBKJLKRHHJSS-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370883;MM370883;CCC(=O)CCC#CC#N;WQQSWGOVLLMGII-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370884;MM370884;C=CC(C)=CCC=CCC;JVJIKOWITGRKBQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370885;MM370885;C=CC#CCCC(=O)CO;WHSIBLNCUWRMFW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370886;MM370886;CCC=CCC=C(C)C=O;TWOZILNIEFHNHU-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370887;MM370887;CC(C=O)=CCC=CCO;MTEZKODALPWLDZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370888;MM370888;C=CC#CCCC(=O)CF;FKAFRDDECUCRHY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370889;MM370889;CC(C#N)=CCC=CCO;NOEZFBMVAKEOJN-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370890;MM370890;O=CC#CCCC(=O)CF;AKFHFNRZWDBLFA-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370891;MM370891;CC(C=O)=CCC=CCF;FDXUQADTLNCJDW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370892;MM370892;N#CC#CCCC(=O)CF;UTFNWEGZZROXQB-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370893;MM370893;CC(C#N)=CCC=CCF;GNXHBGHDAZKQSF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370894;MM370894;C=CC#CCCC(=N)NC;CIABIRCLBAHOTJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370895;MM370895;CNN=CCC=C(C)C#N;QHYVJNHTKODWCJ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370896;MM370896;CN=C(N)CCC#CC=O;MZRUBMDWCZQETF-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370897;MM370897;C=CC(F)=CCC=NOC;WJQGSFGNFSZCAH-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370898;MM370898;CNC(=N)CCC#CC#N;GVWZEEIHGVRTOT-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370899;MM370899;CCN=CNC=C(C)C#N;HXCPNDJXSGJLSC-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370900;MM370900;C=CC#CCCC(=N)NN;ISWPVRKKYXKSNP-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370901;MM370901;CC=C(CC(C)O)C(C)C;LYVRVRHOOQNOSC-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370902;MM370902;C=CC#CCCC(=O)NC;OLVRAPNKYCRUDK-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370903;MM370903;CC1(CC2CC2(C)O)CC1;RWMHHGONXAPKGZ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370904;MM370904;CNC(=O)CCC#CC#N;IZUHGZOFDUJZGD-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370905;MM370905;C=NOC(C)CC#CC#N;QPANIAGHBMUMAL-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370906;MM370906;C=CC(C)C(=C)C(O)C=C;BMOZSBRIZHZWMT-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370907;MM370907;CCOC(C)=NNCC#N;BEYSMJHAIMDFBQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370908;MM370908;O=CC#CCCC(=O)NO;OIPPUGNRDUCIHV-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370909;MM370909;C#CCC(=C)C(=O)ON=C;GQRXERIARUTRIR-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370910;MM370910;C=CC#CCCC(=C)OC;MSUFRYMBYVLYSC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370911;MM370911;C=CC(C)=COC=CCN;XKAVKLJAOZQHBC-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370912;MM370912;C=C(CCC#CC#N)OC;UNPZYPKSUFSUDO-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370913;MM370913;C=CC(C)=COC=CCO;BLCBLGKLQGURHP-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370914;MM370914;C=CC#CCCC(=O)OC;XESOEQCAKVHVDY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370915;MM370915;C=CC(C)=COC=CCF;NMTKXJRIVULWOY-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370916;MM370916;COC(=O)CCC#CC#N;IJELQOWRSZBJTP-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370917;MM370917;CC(C=O)=COC=CCF;WLJJTUVEKROJOS-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370918;MM370918;C=CC#CCNC(=N)CC;GLZPISQBLAKBPI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370919;MM370919;CC(C#N)=COC=CCF;DZNKQKOBWAMZTH-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370920;MM370920;CCC(=N)NCC#CC#N;HWKFJUOQKZRXHW-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370921;MM370921;C=CC(F)=COC=CCN;LRLLFLLVPFABDK-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370922;MM370922;NC(CO)=NCC#CC=O;DQTZNOUBAAWPCQ-UHFFFAOYSA-N;140.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370923;MM370923;C=CC(F)=COC=CCO;UMFDELLCKIEPGW-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370924;MM370924;N#CC#CCNC(=N)CO;NFLYXYUFOSJRCQ-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370925;MM370925;CCC=COC=C(F)C=O;VOOQOJNNDQSYIJ-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370926;MM370926;C=CC#CCNC(=O)CC;KZYRDQFCDFJMMZ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370927;MM370927;N#CC(F)=COC=CCO;WHTGBNUNSUBWFD-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370928;MM370928;CCC(=O)NCC#CC=O;IUVFDBWBSFUMOV-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370929;MM370929;O=CC(F)=COC=CCF;YIIUZXGYCLNCMK-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370930;MM370930;CCC(=O)NCC#CC#N;JGULYBFUIMKUCB-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370931;MM370931;C=CC(C)=COC=COC;GOJZJOOERGHEGD-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370932;MM370932;N#CC#CCNC(=O)CO;MIGOAGZYSXBLAZ-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370933;MM370933;COC=COC=C(C)C#N;JIJPJZIWFLMKOC-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370934;MM370934;CNC(=N)NCC#CC=O;ZQICDKGSNZILHC-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370935;MM370935;COC=COC=C(F)C=O;PBKOARLBAPTNDA-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370936;MM370936;C=CC#CCNC(=N)NN;PLRFFPSHEKEBFP-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370937;MM370937;COC=COC=C(F)C#N;GXCDJRRMCMTCLP-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370938;MM370938;C=CC#CCNC(=N)NO;VAQSRZIGNUCJDZ-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370939;MM370939;COCC(=O)N(C)C=NN;HGHDNDHJFASCTK-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370940;MM370940;N=C(NO)NCC#CC=O;JECOAUQUXHWCIY-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370941;MM370941;C=CC(C)=COC=NOC;TZBPJNUODYHWBS-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370942;MM370942;N#CC#CCNC(=O)NO;QPIDSFKUTCVKID-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370943;MM370943;C=CC(F)=COC=NOC;AFROBCGNRKOGEQ-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370944;MM370944;C=CC#CCOC(=C)CC;MMTRAXPDLHEFON-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370945;MM370945;CON=COC=C(F)C=O;ZTQLUMWQLKFQFA-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370946;MM370946;C=C(CC)OCC#CC=O;RPFYDGGGUJXGOC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370947;MM370947;CON=COC=C(F)C#N;DTKXBIZYVVQCGF-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370948;MM370948;C=C(CC)OCC#CC#N;NHSSTHLOECEAJG-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370949;MM370949;C=CC#CCOC(=C)CN;RPUBXSUDDYMVBH-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370950;MM370950;C=CC(CC)C(=C)C(C)O;MCVQGALHZBUUOR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370951;MM370951;C#CCC1(C)C(C)C1CO;HSJDOBCCZVJCFJ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370952;MM370952;C=CC#CCOC(=C)CO;OGTRNSVHXFMJPH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370953;MM370953;C=CC(C)=CCC=CC=O;ZEOHUMMSQMOCHV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370954;MM370954;C=C(CF)OCC#CC=O;NUDLZVSZSNWPLK-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370955;MM370955;C=CC(C)=CCC=CC#N;XVCBBHQOLYCNJZ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370956;MM370956;C=C(CF)OCC#CC#N;YINPBWJESLXESQ-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370957;MM370957;C=CC=CCC=C(C)C=O;OPOHQWKXYITYPJ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370958;MM370958;C=CC#CCOC(=O)CC;NUIFFAUTGBVUJK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370959;MM370959;C=CC=CCC=C(C)C#N;FNORKQMQTBSNHO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370960;MM370960;CCC(=O)OCC#CC#N;LZCQTOGYXBSFJB-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370961;MM370961;CC(C#N)=CCC=CC=O;YCOAZBAOICXHJV-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370962;MM370962;O=CC#CCOC(=O)CF;XABBSASDNSFKIA-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370963;MM370963;CC(C=O)=CCC=CC#N;HCIXNDCTYFJEEH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370964;MM370964;N#CC#CCOC(=O)CF;AKEJVVNGLGCEEL-UHFFFAOYSA-N;141.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370965;MM370965;CC(C#N)=CCC=CC#N;JCJQFNAFTAHFCN-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370966;MM370966;C=CC#CCOC(=N)NC;YFAWDEXUJIESBN-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370967;MM370967;C=CC=CCC=C(F)C=C;IMZDUQXWHXJCFB-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370968;MM370968;CNC(=N)OCC#CC=O;LTYGQHQRAYILAW-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370969;MM370969;C=CC(F)=CCC=CC#N;BJOPYOCUKUQJEV-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370970;MM370970;C=CC#CCOC(=O)NC;WJVPWEAYIBDURZ-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370971;MM370971;C=CC=CCC=C(F)C=O;FJNBPTZIICILBW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370972;MM370972;CNC(=O)OCC#CC=O;XKACOLAYUNUCKY-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370973;MM370973;N#CC(F)=CCC=CC=O;AVCIHHKOKYJJJS-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370974;MM370974;C=CC#CCOC(=O)NO;GBBOYCKIOLIYHL-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370975;MM370975;C=NN=CCC=C(C)C=O;MVDFKEMCNPQZMS-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370976;MM370976;C=CC#CCOC(=O)OC;AECXLJQJIILEMA-UHFFFAOYSA-N;140.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370977;MM370977;C=NN=CCC=C(C)C#N;XZELXVCBKLYWLP-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370978;MM370978;C#CC#CCCC(=C)CC;LUQRTIZPYAROBS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370979;MM370979;N#CC=CNC=C(F)C#N;PKYZTPYYXAOCMB-UHFFFAOYSA-N;137.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370980;MM370980;C#CC#CCCC(=C)CN;PUXVFQUZMQQIJA-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370981;MM370981;CC(C#N)=CN=CNC=N;OFLZNZFMUUSGGT-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370982;MM370982;C#CC#CCCC(=C)CO;IMDLJXCSZZJLCR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370983;MM370983;CC(C=O)=CN=CNC=O;GQJMGIBCATZUCE-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370984;MM370984;C#CC#CCCC(=C)CF;BMFYJHHWXVMGRD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370985;MM370985;C#CC#CCCC(=O)CC;LEGYEDTYKOFOPV-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370986;MM370986;C=CC(F)=CN=CNC=N;HSGVKLVKNSRRIC-UHFFFAOYSA-N;141.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370987;MM370987;C#CC#CCCC(=O)CO;NKHZODLPZCICFS-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370988;MM370988;C=CCc1nc(C)c(N)o1;NEWZOZIVPHJJRW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370989;MM370989;C#CC#CCCC(=O)CF;BSJXPJXZGFYOAW-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370990;MM370990;C#CC1C=CC(C)(O)C1=C;KGXIXZACFFTWEI-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370991;MM370991;C#CC#CCCC(=N)NC;HXQGJIRYUSDIFG-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370992;MM370992;C#CC(=O)C1NC1(C)C=O;CDUUSANOPWHHEB-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370993;MM370993;C#CC#CCCC(=N)NN;AHHFAMIBCLZWNF-UHFFFAOYSA-N;135.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370994;MM370994;C=CC1(O)C=CC(C)=C1C;GCNYACVGNLKSIL-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370995;MM370995;C#CC#CCCC(=O)NC;DDPIBEOZSSMJMM-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370996;MM370996;C=CC(=CC)CCC(C)O;FWGBEQLEYNUGEC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370997;MM370997;C#CCOC(C)=NNC=N;OMRWKVKOMYQXBA-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370998;MM370998;N#CC=NNC=C(F)C#N;DPMIYURCWORGLR-UHFFFAOYSA-N;138.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM370999;MM370999;C#CC#CCCC(=O)NO;IOUUWJOTSFLLEF-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371000;MM371000;C=CC(C)=COC=CC#N;MLYHBCOGOSUFMZ-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371001;MM371001;C#CC#CCCC(=C)OC;YMKOJXVXHHORDN-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371002;MM371002;CC(C=O)=COC=CC#N;FNHHQFJIIGYILO-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371003;MM371003;C#CC#CCCC(=O)OC;OMTWTJAXCOQNKV-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371004;MM371004;C=CC=COC=C(F)C=C;YYKFQOIWRPNUIW-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371005;MM371005;C#CC#CCNC(=N)CC;WEFQXIJDKDDZJH-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371006;MM371006;C=CC(F)=COC=CC=O;YUWBPRZAEXYNIC-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371007;MM371007;C#CC#CCNC(=O)CC;HYCJZEVBGZVAQG-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371008;MM371008;C=CC(F)=COC=CC#N;HFGHHVXZEITMLG-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371009;MM371009;C#CC#CCNC(=N)NC;QDSIDZAXPAXIGN-UHFFFAOYSA-N;135.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371010;MM371010;C=CC=COC=C(F)C=O;UDJGKTBDNBRHOR-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371011;MM371011;C#CC#CCOC(=C)CC;QFMRXLYFNBSCEX-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371012;MM371012;C=CC=COC=C(F)C#N;LGKIAYLMIOFRBY-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371013;MM371013;C#CC#CCOC(=C)CN;XBTMRABXNUOOLF-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371014;MM371014;O=CC=COC=C(F)C=O;CIGXGCZJLPFYGL-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371015;MM371015;C#CC#CCOC(=C)CO;QIEGCZUCCMZQFP-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371016;MM371016;N#CC(F)=COC=CC=O;ZFGWNJSPVJJYSY-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371017;MM371017;C#CC#CCOC(=O)CC;WNVCAQVXVHTBDQ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371018;MM371018;N#CC=COC=C(F)C#N;DEZDQDYODSKTLU-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371019;MM371019;C#CC#CCOC(=N)NC;DFCJBEQPNBFUSQ-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371020;MM371020;C=CC(F)=COC=NN=C;RVEDECCHQSXMMM-UHFFFAOYSA-N;142.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371021;MM371021;C=CC(=C)CCC#CCC;DITKLBATFMSZGG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371022;MM371022;C=NN=COC=C(F)C#N;FCJLUHYMZFCECB-UHFFFAOYSA-N;141.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371023;MM371023;C=CC(=C)CCC#CCN;DFOKAEGZTPWYIK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371024;MM371024;CC=C(C=O)CCC(C)O;NAMPCFOTURQCSO-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371025;MM371025;C=CC(=C)CCC#CCO;WVCREIRLXXNOTO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371026;MM371026;C#CC1(CO)CCC(C)C1;MGLQRPMYOXBXBQ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371027;MM371027;C=CC(=C)CCC#CCF;UYLYHFKITNCCAV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371028;MM371028;CNN=CC(N)C(=O)OC;HIJQVIIBIQRPRU-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371029;MM371029;C=C(C=O)CCC#CCC;UEZIEXKCWYRTHF-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371030;MM371030;C=NN=CON=C(C)C=O;VLPNQRZKFYHVDO-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371031;MM371031;C=C(C#N)CCC#CCC;LPJSSJSBISINMU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371032;MM371032;C#CC=CCC=C(C)C=C;WBIKFBVDHUPQDR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371033;MM371033;C=C(C=O)CCC#CCO;RIISYWAKYWEGSX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371034;MM371034;C=C(C#N)CCC#CCO;MGSKEDAZGGLMLE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371035;MM371035;C#CC=CCC=C(C)C=O;JPHIMVDCBCVNPX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371036;MM371036;C=C(C=O)CCC#CCF;YJCINHPHXYAMHC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371037;MM371037;C#CC=CCC=C(C)C#N;OMVGCUQXJVLKPW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371038;MM371038;C=C(C#N)CCC#CCF;NQGNLXOYSNXEKM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371039;MM371039;C#CC=CCC=C(F)C#N;HUTALIJROPNYMK-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371040;MM371040;C=CC(=O)CCC#CCC;XBIWQHGTQPJHIK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371041;MM371041;CC#CC=C(C)C(O)CC;IBHQHSFBRXTHRQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371042;MM371042;C=CC(=O)CCC#CCO;MHGONZFANRVOMZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371043;MM371043;C#CCC(C=C)C(C)CO;QGDSELXHGZCFOI-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371044;MM371044;C=CC(=O)CCC#CCF;WDYBVDMNCRMZFS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371045;MM371045;C#CC=COC=C(C)C=O;TUDYMLHUUVLZPJ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371046;MM371046;CCC#CCCC(=O)C=O;XMTATKHMJCPFKX-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371047;MM371047;C#CC=COC=C(C)C#N;RMQDXFOZKDOYNE-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371048;MM371048;CCC#CCCC(=O)C#N;IQUFZLUXEROLBM-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371049;MM371049;C#CC=COC=C(F)C=C;VIZUQUWPBPPYTR-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371050;MM371050;O=CC(=O)CCC#CCF;DKXLIVCKBNAHBW-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371051;MM371051;C#CC=COC=C(F)C#N;MUEQAHYXWQKDPU-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371052;MM371052;N#CC(=O)CCC#CCF;LTHUBUZTAXQNMT-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371053;MM371053;C#CC(C)=CCC=CCC;LNXBELKFZGCPLT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371054;MM371054;C=CC(=N)NCC#CCC;VRJPXKWMPUUMEL-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371055;MM371055;C#CC(C)=CCC=CCN;BQEQYIFCLNUNBD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371056;MM371056;C=CC(=N)NCC#CCN;NPBYJIGMKSSZGC-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371057;MM371057;C#CC(C)=CCC=CCO;SVVSSYFLZGPGQS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371058;MM371058;C=CC(=N)NCC#CCO;GWQQEHRBCGPPFR-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371059;MM371059;C#CC(C)=CCC=CCF;LSDMSYZSZFXYTG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371060;MM371060;C=CC(=N)NCC#CCF;VKCSJAUUSLDJQV-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371061;MM371061;C#CC(F)=CCC=CCN;KACFJUMXVCZTNM-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371062;MM371062;CCC#CCN=C(N)C=O;RUXVYZVHSCUFOP-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371063;MM371063;C#CC(C#CC#N)ON=C;SLVWHQAGVMMEHG-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371064;MM371064;C=CC(O)C(C)C=CC#N;IJZQCMTYGMTCRA-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371065;MM371065;C#CC(C)=COC=CCN;ANAUAJJCGQCJIW-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371066;MM371066;CC1C(CC=O)C1(C)CO;QTXBTLIVLMHCAO-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371067;MM371067;C#CC(C)=COC=CCO;DNGYYULTFKCPRS-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371068;MM371068;NN=COC(=NC=O)NN;SCWPJJXCVSHMHL-UHFFFAOYSA-N;145.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371069;MM371069;C#CC(F)=COC=CCN;HNNFRDFOGIFNEA-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371070;MM371070;CCOC(CC)=NNC=N;DRXGMDGFFIFHQY-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371071;MM371071;C#CC(F)=COC=CCO;SKCQCJILVFQGGW-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371072;MM371072;C=CC(=O)NCC#CCN;VWKUUKBOSICRNS-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371073;MM371073;C#CC(F)=COC=CCF;PXKZVGFHGFJUPT-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371074;MM371074;C=CC(=O)NCC#CCO;NWWFPXIIMHNWLO-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371075;MM371075;C#CC(C)=COC=COC;QNDRWAIBQDBJGS-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371076;MM371076;C=CC(=O)NCC#CCF;PXAPXSIMGYAOKI-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371077;MM371077;C#CC(F)=COC=COC;VEIRNHQBIDRESU-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371078;MM371078;CCC#CCNC(=O)C=O;MBWQHZNPZGNLJI-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371079;MM371079;C#CC(=C)C1CC(O)C1C;KKMULKWXVRLCOA-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371080;MM371080;CCC#CCNC(=O)C#N;LZJBBDCXFSTTDK-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371081;MM371081;C#CC(C=O)NC=NC=N;IKCOUENXKPTKHU-UHFFFAOYSA-N;137.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371082;MM371082;O=CC(=O)NCC#CCO;KIIYSYIEWXHOBW-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371083;MM371083;C#CC(C)=NOC=NOC;AVKPWUXNCFCNNL-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371084;MM371084;N#CC(=O)NCC#CCO;ABOCGMQBQSPSFM-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371085;MM371085;C#CC(C)=CCC=CC=C;HVUXGFQTDPYJFA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371086;MM371086;C=CC(=C)OCC#CCC;NOHUIYSIWBMLJL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371087;MM371087;C#CC(C)=CCC=CC=O;SFKYMPZURONCQF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371088;MM371088;C=CC(=C)OCC#CCN;YMPMTNLWMUDPDQ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371089;MM371089;C=CC(=C)OCC#CCO;AJGNYERCMIUXGH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371090;MM371090;C#CC(C)=CCC=CC#N;OAEKTNXUPGRHCH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371091;MM371091;C=C(C#N)OCC#CCO;GQZQMZWCGWEQBI-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371092;MM371092;C#CC(F)=CCC=CC=C;QDWXXASKMLAQMY-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371093;MM371093;C=C(C=O)OCC#CCF;DTQPXLHXMVUYRO-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371094;MM371094;C#CC(F)=CCC=CC=O;JAURHFLCBPVPQB-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371095;MM371095;C=C(C#N)OCC#CCF;XWJWCWXWJDJWDJ-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371096;MM371096;C#CC(F)=CCC=CC#N;FQKWWPMXZUWHCU-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371097;MM371097;C=CC(=O)OCC#CCC;UJWHCGBHYNYWRZ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371098;MM371098;C#CC(C)=CCC=NN=C;HYYDXBCHIKRAGU-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371099;MM371099;CCC#CCOC(=O)C=O;YOFIIAMLJGQJOQ-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371100;MM371100;NN1CCN(C=O)CC1=O;UUIXBJRZAHCEKR-UHFFFAOYSA-N;143.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371101;MM371101;CCC#CCOC(=O)C#N;JVCOEBSUVKFWAZ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371102;MM371102;N=CN=C1C=NC(NN)=N1;RVTPZGZTHKGDQI-UHFFFAOYSA-N;138.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371103;MM371103;O=CC(=O)OCC#CCF;RBJHIVALOHVUPS-UHFFFAOYSA-N;144.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371104;MM371104;C#CC(C)=COC=CC#N;TWOYNPBHMHCFCZ-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371105;MM371105;C=CC#CCCC(=C)C=C;NULZKVIRTWZRPU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371106;MM371106;C#CC(F)=COC=CC=C;SDLKRRVIYZXALE-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371107;MM371107;C=CC(=C)CCC#CC=O;RQSWKDBUJOPUCQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371108;MM371108;C#CC(F)=COC=CC=O;MCPBYDDQLSNMDP-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371109;MM371109;C=CC(=C)CCC#CC#N;NCBQUQWYVGSUOE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371110;MM371110;C#CC(F)=COC=CC#N;LMXQZQKKVCWJMG-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371111;MM371111;C=CC#CCCC(=C)C=O;IAZFFFWZGZUNAB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371112;MM371112;C#CC(C)=COC=NN=C;DMAIFEJEZAFPHV-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371113;MM371113;C=CC#CCCC(=C)C#N;NFPCQBWMJZVPKW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371114;MM371114;C#CC(F)=COC=NN=C;XHVLRSYPEBHORB-UHFFFAOYSA-N;140.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371115;MM371115;C=C(C=O)CCC#CC=O;HPKCXFTVWCUKIQ-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371116;MM371116;C=Nn1nnc(C=O)c1N;IVULSTKOMMATOV-UHFFFAOYSA-N;139.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371117;MM371117;C=C(C=O)CCC#CC#N;OMWSLNRTOUCCAW-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371118;MM371118;C#CC(C)=NOC=NN=C;UYECWCHDRLZGTI-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371119;MM371119;C=C(C#N)CCC#CC=O;ACEQCWVZYWTPQH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371120;MM371120;C#CC=CCC=C(C)C#C;IIIKGGIBMIDBEZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371121;MM371121;C=CC#CCCC(=O)C=C;SYVPMQYVUHSIEI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371122;MM371122;C#CC=CCC=C(F)C#C;JXDGKYQJVDBFTQ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371123;MM371123;C=CC(=O)CCC#CC=O;GAJUGFNAONUNFB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371124;MM371124;C#CC=COC=C(C)C#C;VEENFSKAACDKOL-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371125;MM371125;C=CC(=O)CCC#CC#N;FZXNMEXRYPASMN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371126;MM371126;C#CC=COC=C(F)C#C;DVBNDMDSHHRPTL-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371127;MM371127;C=CC#CCCC(=O)C=O;XTVDTISACXWUKP-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371128;MM371128;CCC#CCC=C(C)CC;QYWWHYLSHWZATA-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371129;MM371129;C=CC#CCCC(=O)C#N;UYXICROIANOSNI-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371130;MM371130;CCC(C)=CCC#CCN;PYCTVCVOFXVYLD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371131;MM371131;O=CC#CCCC(=O)C=O;WGYHQOYNFDRHQM-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371132;MM371132;CCC(C)=CCC#CCO;VMAIYYZOYAGAFC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371133;MM371133;N#CC#CCCC(=O)C=O;UHWOBTAOUWJWFS-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371134;MM371134;CCC(C)=CCC#CCF;UNECNSHTMSETQN-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371135;MM371135;N#CC(=O)CCC#CC=O;UHEAHZAPYVNNOZ-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371136;MM371136;CCC#CCC=C(C)CN;TVPXOINXRDTBLU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371137;MM371137;C=CC#CCNC(=N)C=C;CDGDVDATNCJIPU-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371138;MM371138;CC(=CCC#CCF)CN;NGLMWTURFQDSKB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371139;MM371139;C=CC(=N)NCC#CC#N;TZATXKFWGWQAET-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371140;MM371140;CCC#CCC=C(C)CO;IQKSRAKVCPLVDA-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371141;MM371141;C=CC(C=O)CNN=CC;KHXUXDINRFJXHB-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371142;MM371142;CC(=CCC#CCO)CO;JCPLAPQUMVANMJ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371143;MM371143;COC1CC(C(C)CO)C1;VDWZVOBKVRITAI-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371144;MM371144;CCC#CCC=C(C)CF;IHLWNPHCDMNACH-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371145;MM371145;C=CC#CCNC(=O)C=C;NPTDNBRIPAKSPE-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371146;MM371146;CC(=CCC#CCN)CF;KFTWMZVUZTWFPC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371147;MM371147;C=CC(=O)NCC#CC=O;RGCWPDQAXDLWOQ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371148;MM371148;CC(=CCC#CCO)CF;FUTRVUCDXZJSNS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371149;MM371149;C=CC#CCNC(=O)C=O;UTSLFWSKAZYTLH-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371150;MM371150;CC(=CCC#CCF)CF;FKZHTXJHRLZUHF-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371151;MM371151;N#CC#CCNC(=O)C=O;QWPZXUZRHKVXAR-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371152;MM371152;CCC#CCC=C(F)CC;GLXUQGWQIIWRLA-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371153;MM371153;N#CC(=O)NCC#CC=O;ILIKWNFGIVPRRT-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371154;MM371154;CCC(F)=CCC#CCN;RFFRCSAXTJBHAZ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371155;MM371155;C=CC#CCOC(=C)C=C;YEZNNMIJQKPXSU-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371156;MM371156;CCC#CCC=C(F)CO;IYOJMCXSWKRVEQ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371157;MM371157;C=CC(=C)OCC#CC=O;AFTCFUXCKIIGNM-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371158;MM371158;NCC#CCC=C(F)CF;SALOKTFTAKITEL-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371159;MM371159;C=CC(=C)OCC#CC#N;IHRDTBQZXUHSTF-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371160;MM371160;CCC#CCC=C(C)OC;GLGICSWIAIIVCS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371161;MM371161;C=CC#CCOC(=C)C=O;SPNBYNJFKQRFIX-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371162;MM371162;COC(C)=CCC#CCN;NBOVWCAZKXINQI-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371163;MM371163;C=CC#CCOC(=C)C#N;IDISEZIKBZNLTA-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371164;MM371164;COC(C)=CCC#CCF;YFZQBCLZTQYIAP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371165;MM371165;C=C(C=O)OCC#CC=O;CREGROAKVIRPTD-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371166;MM371166;C=CC(CO)C1C(C)C1C;KPSNDOXHUTZNNG-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371167;MM371167;C=CC#CCOC(=O)C=C;RERUAUVFWVFXQL-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371168;MM371168;C=CC#CCC=C(C)CC;ODQWCKMEBODFFK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371169;MM371169;C=CC(=O)OCC#CC#N;REARGEJUBKTCTH-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371170;MM371170;CCC(C)=CCC#CC=O;QHBLXONTXRGZPH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371171;MM371171;C=CC#CCOC(=O)C=O;OLBJQGKMBVAHCA-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371172;MM371172;CCC(C)=CCC#CC#N;IXVRCDCGLVNRIY-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371173;MM371173;C=CC#CCOC(=O)C#N;YTUIKCGZEJPACV-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371174;MM371174;C=CC#CCC=C(C)CN;HOWCWWZNFFGTSE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371175;MM371175;O=CC#CCOC(=O)C=O;CIGBRNROAFVIEH-UHFFFAOYSA-N;140.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371176;MM371176;C=CC#CCC=C(C)CO;YKYNVCATVOUIRZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371177;MM371177;N#CC#CCOC(=O)C=O;FBSXBYFPSDKNKJ-UHFFFAOYSA-N;137.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371178;MM371178;CC(=CCC#CC=O)CO;BVXGBFTXSIGYFM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371179;MM371179;C#CC#CCCC(=C)C=C;FMQGTIHCCDBQFB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371180;MM371180;CC(=CCC#CC#N)CO;RSSNUSWDBQXIRW-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371181;MM371181;C#CC#CCCC(=C)C=O;YIEDPDPFFHKPKP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371182;MM371182;C=CC#CCC=C(C)CF;KXSUFNSRPWKEDW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371183;MM371183;C#CC#CCCC(=C)C#N;MYKVMSMOHLCYOU-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371184;MM371184;CC(=CCC#CC=O)CF;VPVBXHGNUQRNQQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371185;MM371185;C#CC#CCCC(=O)C=C;PJOTZOJMKYEMFH-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371186;MM371186;C=CC#CCC=C(F)CC;OFNXJYATACLFJS-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371187;MM371187;C#CC#CCCC(=O)C=O;CMLXEIMXKRUCTG-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371188;MM371188;C=CC#CCC=C(F)CO;IMDNMVCJEQNKFA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371189;MM371189;C#CC#CCNC(=O)C=C;WYMYSJJGFNCBGV-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371190;MM371190;N#CC#CCC=C(F)CO;WHJXXNMHHFJJMU-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371191;MM371191;C#CC#CCNC(=O)C=O;UVEVLNWQWFTKGD-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371192;MM371192;C=CC#CCC=C(F)CF;FDPZJCAJMGEPEE-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371193;MM371193;C#CC#CCNC(=O)C#N;QOQLLBNNBXICDM-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371194;MM371194;O=CC#CCC=C(F)CF;RQJGZFPKYJAQDV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371195;MM371195;C#CC#CCOC(=C)C=C;NUCQXVYWEKUYOH-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371196;MM371196;N#CC#CCC=C(F)CF;PCYOOJZPVXDJTF-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371197;MM371197;C#CC#CCOC(=C)C=O;JNDFAUFSULNVSG-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371198;MM371198;C=CC#CCC=C(C)OC;HUQOMVSPPSFBLR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371199;MM371199;C#CC#CCOC(=C)C#N;ZOVWLBQZIZIRPF-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371200;MM371200;COC(C)=CCC#CC=O;TVRTUJUIOJQKQF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371201;MM371201;C#CC#CCOC(=O)C=C;MTFQNIWOLZAQHB-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371202;MM371202;COC(C)=CCC#CC#N;NAWLITWCZJNBSA-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371203;MM371203;C#CC#CCOC(=O)C=O;PHOCOFKMVLXTCK-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371204;MM371204;C#CC#CCC=C(C)CC;XQENASFVVXJNSX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371205;MM371205;C#CC(=C)CCC#CCC;OEZJGOQFTUPNBU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371206;MM371206;C#CC#CCC=C(C)CN;JGEYQYKIJJISES-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371207;MM371207;C#CC(=C)CCC#CCN;VQRGXGNIIYKNAX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371208;MM371208;C#CC#CCC=C(C)CO;YJIVDWJGDGZSML-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371209;MM371209;C#CC(=C)CCC#CCO;QMZHKCCDADZCSU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371210;MM371210;C#CC#CCC=C(C)CF;CFSJUUQMWCNTBL-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371211;MM371211;C#CC(=C)CCC#CCF;PVOCWHQXTMKUJN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371212;MM371212;C#CC#CCC=C(F)CC;YESDUWXZAWVTRX-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371213;MM371213;C#CC(=O)CCC#CCC;SQSCGESTAXELAE-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371214;MM371214;C#CC#CCC=C(C)OC;XOSQEJQRFXKEQN-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371215;MM371215;C#CC(=N)NCC#CCC;PHAUYWSJUOWONY-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371216;MM371216;C=CC(C)=CCC#CCC;PLTIFSOAWGKSBG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371217;MM371217;C#CC(=N)NCC#CCN;NUVMKSRIKPJJQE-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371218;MM371218;C=CC(C)=CCC#CCN;FTNCMYDIUFRWKG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371219;MM371219;C#CC(=N)NCC#CCO;HWEWXXUKLJDEKB-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371220;MM371220;C=CC(C)=CCC#CCO;MLFREBNADAIEJA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371221;MM371221;C#CC(=N)NCC#CCF;VAMPMIYNLLQDLS-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371222;MM371222;C=CC(C)=CCC#CCF;UBJFSTBOYBUUHW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371223;MM371223;C#CC(=O)NCC#CCC;XSFKAPUKURWAEZ-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371224;MM371224;CCC#CCC=C(C)C=O;JCEQXJDTZLSJMG-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371225;MM371225;C#CC(=O)NCC#CCN;QKPSNPXSDYYAQW-UHFFFAOYSA-N;136.15;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371226;MM371226;CCC#CCC=C(C)C#N;PGKVXVMJCIXMQA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371227;MM371227;C#CC(=O)NCC#CCO;FCFKVYOFDBTGMK-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371228;MM371228;CC(C=O)=CCC#CCO;NHECJFHCOBKQLT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371229;MM371229;C#CC(=O)NCC#CCF;AAQOYXRCQDWSCG-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371230;MM371230;CC(C#N)=CCC#CCO;NNTCMGFSNVORMI-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371231;MM371231;C#CC(=C)OCC#CCC;MNTWJYWIWFDJPL-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371232;MM371232;CC(C=O)=CCC#CCF;FRMLILRTPQNOJT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371233;MM371233;C#CC(=C)OCC#CCN;SMXRZYPNUYUGNY-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371234;MM371234;CC(C#N)=CCC#CCF;DSKXCOAJVHDBGI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371235;MM371235;C#CC(=C)OCC#CCO;YPXVRQAEJUPIIG-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371236;MM371236;C=CC(F)=CCC#CCC;VRIATUOQHKSZPX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371237;MM371237;C#CC(=C)OCC#CCF;JZKANXGCVLZMGY-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371238;MM371238;C=CC(F)=CCC#CCN;ZMSHONKYTLLOKW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371239;MM371239;C#CC(=O)OCC#CCC;CCBAYGGRWLUQJE-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371240;MM371240;C=CC(F)=CCC#CCF;UNPUBONJTBLWJL-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371241;MM371241;CCC#CCC=C(F)C#N;PZGHNNILRAMHOX-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371242;MM371242;C#CC(=O)OCC#CCF;WTLRIMLQNRLGRF-UHFFFAOYSA-N;140.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371243;MM371243;O=CC(F)=CCC#CCF;QDKPVGOEXIWGIF-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371244;MM371244;C#CC(=C)CCC#CC=C;YOMKFFIRRBFKPR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371245;MM371245;C=CC#CCC=C(C)C=C;UJWFISCBHHKQDF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371246;MM371246;C#CC(=C)CCC#CC=O;JHJQUMXRUJFDNA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371247;MM371247;C=CC(C)=CCC#CC=O;GNUDNIUCJPMEES-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371248;MM371248;C#CC(=C)CCC#CC#N;IKAMZJLWIVUCRE-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371249;MM371249;C=CC(C)=CCC#CC#N;GCKFBPBRWHXJJL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371250;MM371250;C#CC(=O)CCC#CC=C;FWCUBWAAUUBGTN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371251;MM371251;C=CC#CCC=C(C)C=O;TTWXQSPBFXOBOO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371252;MM371252;C#CC(=O)CCC#CC=O;VCEKVKIXTOYZQL-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371253;MM371253;C=CC#CCC=C(C)C#N;LXAQOOMOCTXTNT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371254;MM371254;C#CC(=O)CCC#CC#N;QNPPBYDHXYVIBA-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371255;MM371255;CC(C=O)=CCC#CC=O;CBZGIQOCQZMHSS-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371256;MM371256;C#CC(=N)NCC#CC=C;ZYVXYJKRQYVHOV-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371257;MM371257;CC(C#N)=CCC#CC=O;FENYXMSFXDDMID-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371258;MM371258;C#CC(=O)NCC#CC=C;YLYGYNRMPQEGPB-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371259;MM371259;CC(C=O)=CCC#CC#N;APWVOROFCPKKFE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371260;MM371260;C#CC(=C)OCC#CC=C;HFOMMEQLGODEHO-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371261;MM371261;CC(C#N)=CCC#CC#N;RJYRJCGAEWFKAH-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371262;MM371262;C#CC(=C)OCC#CC=O;AWXRIGAYSFPAGP-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371263;MM371263;C=CC#CCC=C(F)C=C;YFRGZILEFCDLPW-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371264;MM371264;C#CC(=C)OCC#CC#N;ZTELJEJVOXPICW-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371265;MM371265;C=CC(F)=CCC#CC=O;FZMJKKAGIVDDBH-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371266;MM371266;C#CC(=O)OCC#CC=C;RTOFFODVIZTWFB-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371267;MM371267;C=CC(F)=CCC#CC#N;MAXLYESEJOOIHJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371268;MM371268;C#CC(=O)OCC#CC=O;YNVMOFIPFKSGTB-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371269;MM371269;C=CC#CCC=C(F)C=O;AFCVNYJQELKXII-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371270;MM371270;C#CC(=O)OCC#CC#N;CWORJDKPWKMFFP-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371271;MM371271;C#CC#CCCC(=C)C#C;PPXFTFMZVZDNLD-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371272;MM371272;C=CC#CCC=C(F)C#N;DKOSLSDUFWAZPX-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371273;MM371273;N#CC(F)=CCC#CC=O;IYCYITPGDIOILS-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371274;MM371274;C#CC#CCCC(=O)C#C;VLOSIRPUIJEIPU-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371275;MM371275;C#CC#CCNC(=N)C#C;DGJOIBZQVAMRMQ-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371276;MM371276;N#CC#CCC=C(F)C#N;XXMLYDHEXHEWLL-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371277;MM371277;C#CC#CCC=C(C)C=C;FQAIUJJRJVCJHK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371278;MM371278;C#CC#CCNC(=O)C#C;AFWPVVXZKDSSTP-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371279;MM371279;C#CC#CCC=C(C)C=O;BMPHXTRHDGYAJX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371280;MM371280;C#CC#CCOC(=C)C#C;JQKJGJVDYMEFCK-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371281;MM371281;C#CC#CCC=C(C)C#N;OOHHMWXEGUKAKQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371282;MM371282;C#CC#CCOC(=O)C#C;MGXDIFXPYGGQLF-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371283;MM371283;C#CC#CCC=C(F)C=C;XXZPSWXCEYGLIA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371284;MM371284;CC(=CF)CCCCCN;OZZNZSLFSYBSAL-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371285;MM371285;C#CC#CCC=C(F)C=O;SBIJRXODYZTQFJ-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371286;MM371286;CC=C(F)CCCCCN;IQVBSLMGJHESMG-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371287;MM371287;C#CC#CCC=C(F)C#N;OAOSUBLZJUOCDH-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371288;MM371288;NCCCCCC(F)=CF;CMBKVTVCJNNPOS-UHFFFAOYSA-N;149.18;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371289;MM371289;C#CC(C)=CCC#CCC;CTGFXNIBYBAYDE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371290;MM371290;CC=C(C)CCCCNC;RRAOOUOWRPSHMY-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371291;MM371291;C#CC(C)=CCC#CCN;FWUKNOBMAYMKQD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371292;MM371292;CC=C(F)CCCCNC;MSYYEQLCVVCHQZ-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371293;MM371293;C#CC(C)=CCC#CCO;WFYJWJZYJNJJIR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371294;MM371294;CC=C(C)CCCCOC;ZHALYIZJXZDSNJ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371295;MM371295;C#CC(C)=CCC#CCF;QTOZEJRJPLOMQZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371296;MM371296;CCNCCCC(C)=CF;BOPIHTIGCVOSAK-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371297;MM371297;C#CC(F)=CCC#CCC;KSVLQPFJOHNQCB-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371298;MM371298;CC=C(F)CCCNCC;VCQXDBVBSYJIFL-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371299;MM371299;C#CC(F)=CCC#CCN;AALUQJGTCKSNDN-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371300;MM371300;CC=C(C)CCCOCC;HGJLGADHBMDEDQ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371301;MM371301;C#CC(F)=CCC#CCO;GUDYKCBTHFHKML-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371302;MM371302;CC=C(F)CCCOCC;YAANSPUKYJZTHU-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371303;MM371303;C#CC(F)=CCC#CCF;WKODDALQGSCMGA-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371304;MM371304;CC(CCCCCF)=NN;KBJXRTSXRHMAKS-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371305;MM371305;CC(CCCCCN)=NO;GGKAPWTXMBGAHW-UHFFFAOYSA-N;144.22;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371306;MM371306;C#CC(C)=CCC#CC=C;BGXFESDINOGPMZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371307;MM371307;CC(CCCCCF)=NO;POTFFEJYNSAZRG-UHFFFAOYSA-N;147.19;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371308;MM371308;C#CC(C)=CCC#CC=O;OMAFINSPPAFRIQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371309;MM371309;CCOCCCC(C)=NN;XHQIATHFMRUIFP-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371310;MM371310;C#CC(C)=CCC#CC#N;GBCYEJJCHICGFN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371311;MM371311;CCOCCCC(C)=NO;LTSTVQAJDATTAF-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371312;MM371312;C#CC(F)=CCC#CC=C;RTLMGKOOMFUISG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371313;MM371313;CC=C(C)CCNCCC;AKQSTWZFFWRWSI-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371314;MM371314;C#CC(F)=CCC#CC#N;ZGJMSOGDJFJXCB-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371315;MM371315;CC=C(C)CCNCCN;RFZINSWQCOSOTF-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371316;MM371316;C#CC#CCC=C(C)C#C;XHLIUCRHCWNCKF-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371317;MM371317;CC=C(C)CCNCCF;QTNVSPRLRGWCCH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371318;MM371318;C#CC#CCC=C(F)C#C;MKACXOPAINABJA-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371319;MM371319;CC=C(F)CCNCCC;OOYXZWVSJYENQC-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371320;MM371320;CCCC=CC=C(C)CC;XQBBREMNAMJSLP-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371321;MM371321;CC=C(F)CCNCCF;AARRXOTXNRCIJT-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371322;MM371322;CCC(C)=CC=CCCN;GELUVHAEDSPBSN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371323;MM371323;CCCNCCC(F)=CF;XFCWIMUAUFYPIW-UHFFFAOYSA-N;149.18;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371324;MM371324;C#CC(CC)C1C(C)C1O;QTQAYRNZLUINEZ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371325;MM371325;NCCNCCC(F)=CF;XQNDYSZZJSQJJS-UHFFFAOYSA-N;150.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371326;MM371326;CCCC=CC=C(C)CN;XDMZZPMPBROJIV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371327;MM371327;FC=C(F)CCNCCF;UKVRKEXXBUMCHH-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371328;MM371328;CC(=CC=CCCF)CN;GAXLMQOHNSJCSP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371329;MM371329;CC(CCNCCF)=NO;TZIIXOYOIXYUSW-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371330;MM371330;CCCC=CC=C(C)CO;QRBBAPPNKZCVND-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371331;MM371331;CC=C(C)CCOCCN;WFXCZZZXFNVROF-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371332;MM371332;CCCC=CC=C(C)CF;BEFKZFHWVYGZHF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371333;MM371333;CC=C(C)CCOCCO;HKUPJXNBBSJGFK-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371334;MM371334;CCCC=CC=C(F)CF;UOHSJSQXIIZRCW-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371335;MM371335;CCCOCCC(F)=CF;BWTSCWQMQVKBBP-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371336;MM371336;NCCC=CC=C(F)CF;CLTRDUKGFIXKKI-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371337;MM371337;OCCOCCC(F)=CF;SNPQJEBZLUXFMO-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371338;MM371338;CCC(C)=CC=CCNC;DUVSMAAHQHVAIH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371339;MM371339;CC=C(C)CCOCOC;YGIWUTPYRSYRIJ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371340;MM371340;CNCC=CC=C(C)CO;LMOLODITEQCVGW-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371341;MM371341;CC=C(F)CCOCOC;KVIBNHCAENHOKU-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371342;MM371342;COCOCCC(F)=CF;FQYFDQRBOVQVBM-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371343;MM371343;CNCC=CC=C(C)CF;HKXZVIGDCDVURI-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371344;MM371344;N#CC=C1NN=C(C#N)N1;KNALDSUKVFYNPZ-UHFFFAOYSA-N;133.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371345;MM371345;CNCC=CC=C(F)CN;JURXKDRNPRHOOG-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371346;MM371346;CC(CCOCCF)=NN;VEBNOICIQRRUNM-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371347;MM371347;CCOC=CC=C(C)CC;GZYZKEZTMYVBRB-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371348;MM371348;CC(CCOCCO)=NO;LPGCOXPSCGZQDE-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371349;MM371349;CCOC=CC=C(C)CN;ZYPXXPWVUGDKSU-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371350;MM371350;CC=C(C)CNCCCN;DOWWLEQGMNYFQI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371351;MM371351;CCOC=CC=C(C)CO;CUKINEOUUBXMRO-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371352;MM371352;CC=C(C)CNCCCO;YKVMISSSFUPLAZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371353;MM371353;CCCC=CC=C(C)OC;FFJZKBVJOWFJCU-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371354;MM371354;CC=C(C)CNCCCF;BDWCZBCXSGAGPC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371355;MM371355;COC(C)=CC=CCCN;KUJHLORQKPXICM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371356;MM371356;CCCCNCC(C)=CF;RAYSVMDUKFEPRT-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371357;MM371357;CNCC=CC=C(C)OC;DSSHXKUFCPUQMD-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371358;MM371358;CC=C(F)CNCCCN;LRQKWRSVVQUJBN-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371359;MM371359;CCNN=CC=C(C)CN;ISSLKFFRGFFTLJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371360;MM371360;CC=C(F)CNCCNC;TXSQLFLJSIAZPJ-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371361;MM371361;O=CC=NNCC#CCF;LMEHNSKXLWJYBN-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371362;MM371362;CC=C(C)CNCCOC;QWVHPRBNMBVBST-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371363;MM371363;CCNN=CC=C(N)CN;ASXDAPIPQKDRDW-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371364;MM371364;CNCCNCC(C)=NN;LQIAWEGNJHPDEV-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371365;MM371365;C=CC#CCNN=CC=O;KAJZSFQBJJFESX-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371366;MM371366;CC=C(C)COCCCC;CKIDWIHUDHANPZ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371367;MM371367;CCON=CC=C(C)CN;BBOKEUPITLNSJX-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371368;MM371368;CC(=CF)COCCCF;BGEKZRRJZMBGRZ-UHFFFAOYSA-N;150.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371369;MM371369;Cn1[nH]c2nccc-2c1N;JYOIJWOXCXNLSR-UHFFFAOYSA-N;136.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371370;MM371370;COCCOCC(F)=CF;BJFGNYUUGBTNFO-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371371;MM371371;CCON=CC=C(N)CN;OXDOPLXAXCRMFD-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371372;MM371372;CCOCOCC(F)=CF;NZGXQGQXKQRKQQ-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371373;MM371373;CCNNC=CC(=N)NC;CGHLNUPCNJMMSI-UHFFFAOYSA-N;142.21;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371374;MM371374;CC(COCCCF)=NN;RFHVYNJLBBEUHS-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371375;MM371375;CCNN=CC=C(C)OC;KVSLZERTVGVKTM-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371376;MM371376;CC(COCCCO)=NO;FBHJVQHYXRYQCF-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371377;MM371377;CC(CO)=NN=CCCO;GDGLLUIVADHZJL-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371378;MM371378;CNCCOCC(C)=NO;VCXUVNUOMXQXJQ-UHFFFAOYSA-N;146.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371379;MM371379;COCC=NN=C(C)CO;RTXSZHCSFGKMHB-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371380;MM371380;CCOCOCC(C)=NO;WQNIIUJTAXAQSH-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371381;MM371381;CCOC=NN=C(C)CO;OCNYZXVMTNNRRA-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371382;MM371382;CCCCCN=C(C)NC;AEZGIUHVYSBTCG-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371383;MM371383;COC(C)=NN=CCCO;WRCUMLWMYHZDDZ-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371384;MM371384;CNC(C)=NCCCOC;KZRUYBODGCJMHL-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371385;MM371385;COCC=NN=C(C)OC;ILNFTTDCDGCAMW-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371386;MM371386;COCCCN=C(C)NN;XHBOLMAOAZWVHC-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371387;MM371387;CCOC=NN=C(C)OC;DFSPJKDUXAZFAH-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371388;MM371388;CCNCCN=C(C)NC;YZAZGAGSILCVMN-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371389;MM371389;C=CCC=CC=C(C)CC;GPJSSSZLFGFHGN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371390;MM371390;CCOCCN=C(C)NC;XASFGSPWDWVAAZ-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371391;MM371391;CCC(C)=CC=CCC#N;SCGMNOPLQRKQGL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371392;MM371392;CCOCCN=C(C)NN;VTVCYOOFNPJEQC-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371393;MM371393;CC(=CC=CCC=O)CF;VCLCZYAISMPZMI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371394;MM371394;CNCCNN=C(C)NC;LPAPAQHWCDLIDW-UHFFFAOYSA-N;144.22;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371395;MM371395;CNC(C)=NNCCOC;YXWWEPOISMVOCI-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371396;MM371396;C=CCC=CC=C(F)CO;MIOPWALULQBTCU-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371397;MM371397;CNc1cc(NC=N)on1;GJGHYUWAJGCLLG-UHFFFAOYSA-N;140.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371398;MM371398;O=CCC=CC=C(F)CO;YHRSIUGRDNGVER-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371399;MM371399;CC(=NOCCCN)NO;RHVDAERIHIUKHY-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371400;MM371400;N#CCC=CC=C(F)CO;NEDVKEOATJJADB-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371401;MM371401;C=CC(O)CC1CC1CC;YFEUPTVMICNNFS-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371402;MM371402;C=CCC=CC=C(F)CF;LZNGFOMZIZNRQE-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371403;MM371403;CNCCON=C(C)NN;IBISYOKXZKMFOE-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371404;MM371404;CCC(C)=CC=CNC=N;QGPXBGVOWIUANO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371405;MM371405;CNCCON=C(C)NO;CILSLAWUAZYSFY-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371406;MM371406;C=COC=CC=C(C)CC;OXGQRIJVEMEKFY-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371407;MM371407;COCCON=C(C)NN;HVLNRUMRLPDJFT-UHFFFAOYSA-N;147.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371408;MM371408;C=COC=CC=C(C)CN;ASHYUXAOXDTWRX-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371409;MM371409;C=CC1=CC(CO)CC1=C;XDGLUVPNFALULQ-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371410;MM371410;C=COC=CC=C(C)CO;ZAZDXXXCRPSJBS-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371411;MM371411;CCOCON=C(C)NN;UQSAHXMQEVFZNI-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371412;MM371412;COC(C)=CC=CCC=O;SMKLPIXELFMMEJ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371413;MM371413;CC1(CCC2CC2)CC1O;JGKYDPUCTOZLSU-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371414;MM371414;COC(C)=CC=CNC=N;JZRLRMPHGGEPGP-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371415;MM371415;CC=C(C)OCCCNC;OJVFAKKUDKVPPC-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371416;MM371416;C=COC=CC=C(C)OC;GYZBAOQYVKSROZ-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371417;MM371417;CNCCCOC(C)=CF;UJMDZOASHVXYJQ-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371418;MM371418;C=CC(C#CC1CN1)C=O;ZOCSJTKFOPXHGV-UHFFFAOYSA-N;135.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371419;MM371419;CC=C(C)OCCOCC;HGJYKGRMOGCHRK-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371420;MM371420;CC(=CC=NNC=N)CN;XTNHEYBLFYXKNF-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371421;MM371421;CC1(CCC2CO2)CC1O;XSFGPWNQZZHAGJ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371422;MM371422;C=CCCC(C)O;LNPNXWKVAFKIBX-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371423;MM371423;CCCCCOC(C)=NO;LEGTXJJBWKKAFX-UHFFFAOYSA-N;145.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371424;MM371424;N=CNN=CC=C(N)CN;MZHARMASFXBKSX-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371425;MM371425;CC(=NO)OCCCCF;DBDJRZQXQGDGKG-UHFFFAOYSA-N;149.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371426;MM371426;NCC(N)=CC=NNC=O;MZBYJCGVLGFNGU-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371427;MM371427;CCNCCOC(C)=NN;YSFDCEBRSBEQGM-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371428;MM371428;CCC(F)=CC=NNC=O;UUBJXEBKJWLXMG-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371429;MM371429;CCNCCOC(C)=NO;FMNYMZVBLGBBRX-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371430;MM371430;CC=CCCC(C)O;IFSYJVQRVQMRKN-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371431;MM371431;CCCCCC1C(C)C1O;OTLCYMWTZSGZAL-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371432;MM371432;CC(O)CCC=CF;ABRDEJLVWKOKDZ-UHFFFAOYSA-N;118.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371433;MM371433;CCOCCOC(C)=NO;SURSDGBKYGIPEX-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371434;MM371434;COC(C)=CC=NNC=O;DBFASBYBVXVASK-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371435;MM371435;CC=C(C)OCOCCC;XUOBKJCBTAYSAW-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371436;MM371436;COC(C)=CC=NOC=O;RDWIKFZSZYKSDL-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371437;MM371437;CC=C(C)OCOCCO;HYLIVIZZDNENLH-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371438;MM371438;COC(N)=CC=NOC=O;AFOUMRNPUZTPSQ-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371439;MM371439;CC(=CF)OCOCCN;KGHROZZZHNRCMH-UHFFFAOYSA-N;149.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371440;MM371440;CC(CO)=NN=CCC#N;INTASCHWJBROIF-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371441;MM371441;CC(=CF)OCOCCF;PGSVNWWSOHQCLZ-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371442;MM371442;C=CC(C)C(C)CO;MQGHMOLXBKYWKA-UHFFFAOYSA-N;114.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371443;MM371443;CC=CC=CC1C(C)C1O;QEZDHUPLJYGTHY-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371444;MM371444;CCC(C)=NN=COC=O;LJMYYMPJMDDXGJ-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371445;MM371445;CC1C(O)C1C=CC=NN;MNTDINGDYKEIIV-UHFFFAOYSA-N;140.19;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371446;MM371446;CC(=NO)OCOCCN;IDNKNSBIXMMIGJ-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371447;MM371447;C=COC=NN=C(C)CO;KYBMAKAESQISOT-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371448;MM371448;CC(=NO)OCOCCO;JYMDDRVBKKZDQW-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371449;MM371449;C=CCC=NN=C(C)OC;ZIXYKXKZIPRLSE-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371450;MM371450;CCC1CCC(CO)CC1;YSQZCEWPPUAANL-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371451;MM371451;COC(C)=NN=CCC=O;KASMEVMBZKNQMB-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371452;MM371452;COCOCOC(C)=NO;OJKSUPIBZMQLPM-UHFFFAOYSA-N;149.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371453;MM371453;C=COC=NN=C(C)OC;XQYBPYFOYWTLQB-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371454;MM371454;CC=C(C)CCCCC#N;WARAMIYGSGAUSN-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371455;MM371455;C#CCC=CC=C(C)CC;BAQGMRJJROYSGU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371456;MM371456;CC(=CF)CCCCC=O;LWYUJZHAURFQNR-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371457;MM371457;C#CCC=CC=C(C)CN;RUPWSGSKIKHEPR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371458;MM371458;N#CCCCCC(F)=CF;KQQUHNHSYSKHRF-UHFFFAOYSA-N;145.15;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371459;MM371459;C#CCC=CC=C(C)CO;LCRLLPSMLFAGES-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371460;MM371460;CC(=CF)CCCNC=N;LLGSGOUHYOPZSX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371461;MM371461;C#CCC=CC=C(C)CF;ZVENJAQXTCJDPF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371462;MM371462;CC=C1C=CC(CO)CC1;GCQFUWKWGMMVTD-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371463;MM371463;C#CCC=CC=C(F)CO;GGYPBEZOTMKSJL-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371464;MM371464;CC=C(F)CCCNC=N;LOEBNSVBZOMMII-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371465;MM371465;C#CCC=NN=C(C)CO;HKENYPOHMWVOJN-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371466;MM371466;N=CNCCCC(F)=CF;BBJYZSBCCPFSQW-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371467;MM371467;C#CCC=NN=C(C)OC;WILWOMBYIBIVNA-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371468;MM371468;C=NNCCCC(C)=CC;MHEQVYLIZSHEJB-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371469;MM371469;C=CC(C)=CC=CCCC;HHFDHJOHXMOQMI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371470;MM371470;C=CCCCCC(C)=NN;PEOIICWLUCSWEX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371471;MM371471;C=CC(C)=CC=CCCN;GQIPDNBECSANEJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371472;MM371472;CC(CCCCC#N)=NO;NJJIRBFQYNJOCR-UHFFFAOYSA-N;140.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371473;MM371473;CCCC=CC=C(C)C=O;GTDVFGIXPFMUPJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371474;MM371474;CC(CCCNC=N)=NN;KMKSAQOWXVULOD-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371475;MM371475;CCCC=CC=C(C)C#N;LJRDNYOCZOAVBH-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371476;MM371476;OCC1C=CC(=CF)CC1;ZOIARQXDCLMINK-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371477;MM371477;C=CCC(CC)CO;HAAXJIXTDRFJBI-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371478;MM371478;CC(CCCOC=O)=NN;GRBJBNMNIZKZST-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371479;MM371479;CC(C=O)=CC=CCCF;MNNJXBNTSWXKQP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371480;MM371480;C=CCNCCC(C)=CC;XORRELBVHIDXJU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371481;MM371481;CC(C#N)=CC=CCCF;HUKXZIRGRUOSQZ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371482;MM371482;C=CCNCCC(C)=CF;NARZBZFAXDHRDT-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371483;MM371483;C=CC(F)=CC=CCCC;HHCYXXHHFZWDQU-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371484;MM371484;C=CC(F)=CC=CCCN;XPINYXSPGHMWRI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371485;MM371485;CC(=CF)CCNCC#N;OPCHGOVMBSNTIE-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371486;MM371486;CCCC=CC=C(F)C=O;RUNRYRAHMNAITG-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371487;MM371487;C=CCNCCC(F)=CC;AQRRRPXAZUGIEJ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371488;MM371488;C=CC(C)=CC=CCNC;ZQFILCZNVMTUHF-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371489;MM371489;C=CCNCCC(F)=CF;FXTLRAREUQMWCH-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371490;MM371490;CNCC=CC=C(C)C=O;GYKVPJATFLJLHQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371491;MM371491;N#CCNCCC(F)=CF;TXPNOXIJKCDUPZ-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371492;MM371492;CNCC=CC=C(C)C#N;XEFZPZSRUBVKES-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371493;MM371493;N=CNNCCC(F)=CF;YBXWMFVYPXYORE-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371494;MM371494;C=CC(F)=CC=CCNC;UIUOTKGVQVKFHF-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371495;MM371495;CNc1cn[nH]c1;KWXQBZOSFMENLD-UHFFFAOYSA-N;97.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371496;MM371496;CNCC=CC=C(F)C=O;TWWAXTCOHYOTGB-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371497;MM371497;C=CCOCCC(C)=CC;SVPFIWYQPSAIPX-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371498;MM371498;C=CC(F)=CC=COCC;DYXMERFPTLMDIU-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371499;MM371499;CC=C(C)CCOCC#N;YUUUYSWSGPSTLP-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371500;MM371500;CCOC=CC=C(F)C=O;SEOWBZOCBPVZHX-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371501;MM371501;C=CCOCCC(F)=CC;VLVXZYGCNSSTMY-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371502;MM371502;CCNN=CC=C(C)C=O;JMLADIFAELGKOD-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371503;MM371503;CC=C(F)CCOCC=O;VEGLLOQPDIRYPP-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371504;MM371504;CCNN=CC=C(C)C#N;KROVGWGVEVWNLL-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371505;MM371505;CC=C(F)CCOCC#N;VMFKUHZXKKZGBV-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371506;MM371506;CCON=CC=C(F)C#N;BRGWUVWHOPXUCS-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371507;MM371507;C=CCOCCC(F)=CF;ASVJWRMPYOIESD-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371508;MM371508;CCC1=CCC(O)C1;QABFPLXWUGEHJS-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371509;MM371509;O=CCOCCC(F)=CF;DOTIGOZWTWRRCG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371510;MM371510;CCCC=NN=C(C)C#N;CLGJCFUVSOYJTA-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371511;MM371511;N#CCOCCC(F)=CF;ZNJYPPKTKSXKLZ-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371512;MM371512;CC(C=O)=NN=CCCO;JTTVGSJOHLHFBI-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371513;MM371513;CC=C(C)CCONC=N;KYKBHZWTVJCWQF-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371514;MM371514;CC(C#N)=NN=CCCO;HPEBUEKYOLXQDV-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371515;MM371515;CC=C(F)CCONC=N;AVVNWJSJWUFLGU-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371516;MM371516;COCC=NN=C(C)C=O;GLCIKROWPSTHOU-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371517;MM371517;C=CCOCCC(C)=NN;WWTOOWIWCXQLCE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371518;MM371518;COCC=NN=C(C)C#N;OXVXAEFSHDRXID-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371519;MM371519;C=CCCNCC(C)=CC;RXPGVLQAHGEFJV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371520;MM371520;C=CC(C)=NN=COCC;VQCJQPHJWDRMQR-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371521;MM371521;CC=C(C)CNCCC=O;BLMOYUFXGDWRIO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371522;MM371522;CCOC=NN=C(C)C=O;PPXSVXCQUNTFHI-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371523;MM371523;C=CCCNCC(C)=CF;GISJBRIYILCXJQ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371524;MM371524;C=CC(C)=CC=CCC=O;WMAPQNOYGBJMTL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371525;MM371525;CC(=CF)CNCCC=O;XSLXIFCBBLBULU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371526;MM371526;CC(C=O)=CC=CCC=O;ZWVLZVFIQQQAGH-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371527;MM371527;CC=C(C)COCCC#N;UBYYMXHCRJSEGL-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371528;MM371528;CC(C#N)=CC=CCC=O;BCWPLGQHUHEOQU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371529;MM371529;N#CCCOCC(F)=CF;BMLIBEQKQFJVCS-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371530;MM371530;CC(C=O)=CC=CCC#N;LSRZRRSKFBQYSZ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371531;MM371531;C=COCOCC(F)=CC;CFCFLUAFZZHUCI-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371532;MM371532;C=CC(F)=CC=CCC=O;KISXTFCMBGETGY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371533;MM371533;C=COCOCC(F)=CF;ZETAEJSPTWDBAN-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371534;MM371534;C=CCC=CC=C(F)C#N;JCYOTVLGTRUOFL-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371535;MM371535;C=NOCOCC(F)=CF;HJAZUNCIRYJLJB-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371536;MM371536;N#CCC=CC=C(F)C#N;GGBMMDZLLQXMRB-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371537;MM371537;CC(=NO)NCCNC=N;SUPGOPQCNIBAHE-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371538;MM371538;C=CC(C)=CC=CNC=N;QNGMLWLSDSYSBH-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371539;MM371539;CC(C)(C)C1CC1O;BSTIBYLXBXMLAX-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371540;MM371540;C=CC(C)=CC=CNC=O;GYAZLBJJTGWWTI-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371541;MM371541;C=NNCCNC(C)=NC;NSZLGPVEULJLEW-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371542;MM371542;CC(C=O)=CC=CN=CN;LDSKYMWIIJXJNW-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371543;MM371543;CCn1ncc(N)n1;VFHNHXVFSOEFFS-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371544;MM371544;C=COC=CC=C(C)C=C;RXUDYNBFLMNHQU-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371545;MM371545;C=COCCNC(C)=NC;GFONIWGJAMVNIF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371546;MM371546;C=COC=CC=C(C)C=O;YOUNNORUBZPSOD-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371547;MM371547;C=COCCNC(C)=NN;PLLMEGQEJLSDRW-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371548;MM371548;C#CC1C=CCC1O;RBEROVDPMVXOJK-UHFFFAOYSA-N;108.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371549;MM371549;CC1=CCC(CO)C1;JDLGFUQUOIIUDC-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371550;MM371550;C=C(C)C=CC(C)(C)O;QWTIKCSFJFUHKV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371551;MM371551;CC(C)(CO)CCC#N;LPRMANDJSIXLBP-UHFFFAOYSA-N;127.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371552;MM371552;N#CC(F)=CC=NNC=O;WQOKUAKXILCDCC-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371553;MM371553;C#CC(=C)CCC(C)O;NEFNLRTUKFIJOZ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371554;MM371554;CC(C#N)=CC=NOC=O;WMELDUYJFDVMJY-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371555;MM371555;C=COCONC(C)=NC;AQWHYTDIVRJXBG-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371556;MM371556;C=CC(F)=CC=NOC=O;GNBMHMZNJNTYAD-UHFFFAOYSA-N;143.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371557;MM371557;CN=C(C)NOCOC=O;QNVHYASAUDNUJD-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371558;MM371558;N#CC(F)=CC=NOC=O;VAVBOSBOJQFQAP-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371559;MM371559;C=COCON=C(C)NN;OTPIDAKYNGZMKJ-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371560;MM371560;CC(C=O)=NN=CCC#N;VYULLYGPTDORAI-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371561;MM371561;CC(=NOCOC=O)NN;LTIDZOHGXCEALY-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371562;MM371562;CC(C#N)=NN=CCC#N;WTGLMNUOKLWRSM-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371563;MM371563;C#CC(C#C)CC(C)O;WWNSMRKOYCPHKN-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371564;MM371564;C#CCC=CC(C)(C)O;AARIWBITZSBDTF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371565;MM371565;CCC12C=CC(O)(C1)C2;XXFOAXOWBZGSSK-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371566;MM371566;C=COC=NN=C(C)C=O;JVOWCPKARMWPAK-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371567;MM371567;CC(=CF)OCCCC=O;XGWRQUNBDPWGNP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371568;MM371568;C=COC=NN=C(C)C#N;HXXANLVWSYMKHL-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371569;MM371569;CC=C(C)OCCNC=N;HJTCHAOZBFBSFS-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371570;MM371570;CC(C=O)=NN=COC=O;QHUGAKUFZXMLJZ-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371571;MM371571;C#CC(C)C(=C)C(C)O;CAECGDJBMGRRLI-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371572;MM371572;CC(C#N)=NN=COC=O;GKTIBTPVYXYARP-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371573;MM371573;CC(=CF)OCCNC=O;WEDFZIMCBBYTBR-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371574;MM371574;C=NOC=NN=C(C)C=O;VOKZSPSBCJJOQZ-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371575;MM371575;CC(=CF)OCCOC=O;JIMXKBQMCMMAFX-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371576;MM371576;C=NOC=NN=C(C)C#N;VKIJXQYWXGMYIR-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371577;MM371577;C=NOCCOC(C)=CF;SIRBYYOQPBVPLD-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371578;MM371578;C#CCC=CC=C(C)C=C;ONJYGUYOAPXYOR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371579;MM371579;Cc1nc(CF)oc1N;GZSZSSFADREETM-UHFFFAOYSA-N;130.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371580;MM371580;C#CCC=CC=C(C)C=O;CIJZUWDTQBJZIU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371581;MM371581;C=NNCCOC(C)=NO;OFRHYCOHUAJNNI-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371582;MM371582;C#CCC=CC=C(C)C#N;MFJHNPKHKNHOHW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371583;MM371583;N#CCC1CCC(O)C1;VGLFFLXGWPYSCF-UHFFFAOYSA-N;125.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371584;MM371584;C#CCC=CC=C(F)C=C;NKPJYHVSUZLEQA-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371585;MM371585;C=COCCOC(C)=NO;ONLZSGYCYWKCKE-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371586;MM371586;C#CCC=CC=C(F)C=O;PPYXZMFCSCTCAU-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371587;MM371587;CC(=NO)OCCOC=O;WOCJHOHCOAPHAR-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371588;MM371588;C#CCC=CC=C(F)C#N;GVOTUSGYCYKOQO-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371589;MM371589;C=CCOCOC(C)=CC;FWYJGNHDVWGRIT-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371590;MM371590;C#CCC=NN=C(C)C=C;YJMFQSZAVBPRKQ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371591;MM371591;C=CCOCOC(C)=CF;UKUXSNSTRJPMDY-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371592;MM371592;C#CC(C)=CC=CCCC;CBFOSHPPSVRDTG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371593;MM371593;CC=C(C)OCONC=O;FCUGBJBJMHSRKQ-UHFFFAOYSA-N;145.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371594;MM371594;C#CC(F)=CC=CCCC;XIIMYUVKXSJOBR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371595;MM371595;CC(=CF)OCONC=N;MDQYWOZTSGYVLH-UHFFFAOYSA-N;148.14;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371596;MM371596;C#CC(C)=CC=NNCC;WEYWVBYERDNZJO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371597;MM371597;CC(=NO)OCOCC=O;SXTJESNLRVCYLE-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371598;MM371598;C#CC(F)=CC=NOCC;AKPFBCQDRDGQTQ-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371599;MM371599;CC(=NO)OCONC=N;DRVLQOPDQCCZDA-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371600;MM371600;C#CC(C)=NN=CCCC;AHNNJIMOYNQAPY-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371601;MM371601;CC(=NO)OCONC=O;XDCDNKDJZTYYAK-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371602;MM371602;C#CC(C)=NN=CCOC;ZTAXBZFLQIYNAT-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371603;MM371603;C#CCCCCC(F)=CF;OMZUIMUZHCTBOT-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371604;MM371604;C#CC(C)=NN=COCC;CMIDMFIFRLSZOJ-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371605;MM371605;C#CCCCCC(C)=NN;ADCKAHHFACYVID-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371606;MM371606;C#CC(F)=CC=CCC#N;QLZIWRXZSRRJSK-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371607;MM371607;C#CCCCCC(C)=NO;HTKWKSMKBWHIAC-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371608;MM371608;C#CC(C)=CC=CNC=N;UJKOVDNYNNVWMV-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371609;MM371609;C#CCNCCC(C)=CC;SFTQDKJOOLHSCX-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371610;MM371610;C#CC(F)=CC=CNC=N;VTPZGUFSIVMYAI-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371611;MM371611;C#CCNCCC(C)=CF;JKQCIHZVZOYPIQ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371612;MM371612;C#CC(F)=CC=CNC=O;MFPXAPBQWMXMEY-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371613;MM371613;C#CCNCCC(F)=CC;XLEOKAYRCAJJHW-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371614;MM371614;C#CC(C)=CC=COC=C;RMVUSVRUTLNUAN-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371615;MM371615;C#CCNCCC(C)=NN;CKPNCMAPGXIMKN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371616;MM371616;C#CC=C(C)CC(C)O;AKHWUCVFWDEEGG-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371617;MM371617;C#CCNCCC(C)=NO;WAZGCFOYCYSJCA-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371618;MM371618;C#CC(F)=CC=NNC=O;RUTLKNONQYJNNY-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371619;MM371619;C#CCOCCC(C)=CC;NMIKAQJCBYIGFZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371620;MM371620;C#CC(F)=CC=NOC=O;WFWSBDUUMINIMV-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371621;MM371621;C#CCOCCC(C)=CF;RITYTPHMKGJENT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371622;MM371622;C#CC(C)=NN=CCC=O;RDOKDDCTSWXFRD-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371623;MM371623;C#CCOCCC(F)=CC;PNVXQEGAULIGHL-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371624;MM371624;C#CC(C)=NN=CCC#N;ALLRVMCSRHOYMO-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371625;MM371625;C#CCOCCC(F)=CF;LGCPZIOKVBCLAY-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371626;MM371626;C=CC=CCCC(C)O;KCNYHWSXXQYEMG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371627;MM371627;C#CCCNCC(C)=CC;PZEKYACDKGBHTQ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371628;MM371628;C#CC(C)=NN=COC=C;LWEKIDMDMYNYQL-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371629;MM371629;C#CCCNCC(C)=CF;UDKUREDFTKQLON-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371630;MM371630;C#CC(C)=NN=COC=O;XLAQTDWNDBBQSX-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371631;MM371631;C#CCCOCC(C)=CF;MMKCQQGSBJEARH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371632;MM371632;C#CC(C)=NN=CON=C;ICZFSARWBLMDCT-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371633;MM371633;C#CCCOCC(F)=CC;JBJUDNCXLFUDJH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371634;MM371634;C#CCC=CC=C(F)C#C;PVHHBXDYYDKIDF-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371635;MM371635;C#CCCOCC(C)=NN;CAJWYTAJKRVMTM-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371636;MM371636;CC=CC=CC=C(C)CC;MNADZSLGXKBZTC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371637;MM371637;C#CCCOCC(C)=NO;ZEBGSUIVMASUBO-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371638;MM371638;CC=CC=CC=C(C)CN;CJCPACNBVXROJD-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371639;MM371639;C#CCCON=C(C)NN;KTAFKLUUMLTNBV-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371640;MM371640;CC=CC=CC=C(C)CO;RUZDSTRURLBYQW-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371641;MM371641;CC(O)C1CC1CC#N;NUJJQEDCILYXTH-UHFFFAOYSA-N;125.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371642;MM371642;CC=CC=CC=C(F)CO;WMBSEFLLFNWAGY-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371643;MM371643;C#CCOCOC(C)=CC;ANUAHWSRFHATPG-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371644;MM371644;CC=CC=CC=C(F)CF;ZEAWWUAALYTCQU-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371645;MM371645;C#CCOCOC(C)=CF;ORQBSTSQMSKVHM-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371646;MM371646;CC=CC=CC=C(C)OC;SMQMGBUVWXTUBU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371647;MM371647;CC=CCCCC(C)=CC;HVIJTWVMLYIWAU-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371648;MM371648;COC(C)=CC=CC=NO;NNEFXPHIYDZYIQ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371649;MM371649;FC=CCCCC(F)=CF;XRXQZRDCGDDFAS-UHFFFAOYSA-N;150.14;3.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371650;MM371650;CC=NN=CC=C(C)CC;XEVQUMRTFIIICY-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371651;MM371651;CC=NN=CC=C(C)CN;BNHBYUAGACDEFH-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371652;MM371652;CC(=CF)CCCC=NO;AIDOKTDTYWCKBN-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371653;MM371653;CC=CCCCC(C)=NN;JCGSEXMKWFJFQP-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371654;MM371654;CC=NN=CC=C(N)CC;YAFKGVHFYXZACY-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371655;MM371655;CC(CCCC=CF)=NN;BDZOOCDCRULLHO-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371656;MM371656;CC=NN=CC=C(N)CN;SHZPKYHRGUBOBH-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371657;MM371657;CC(O)CCC=CC=O;HCDSZSLQFBDFCH-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371658;MM371658;CC(CCCC=CF)=NO;IPRJIYUKNVMWQL-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371659;MM371659;CC=NN=CC=C(F)CC;FWFKYZZQXSYFGZ-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371660;MM371660;CC(CCCC=NN)=NN;JDUTXKGXQNLPKY-UHFFFAOYSA-N;142.21;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371661;MM371661;CC=NN=CC=C(F)CO;PSIQQXQRGBTGFL-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371662;MM371662;CCC1=CCC(CO)C1;CZQHETSHUAKQCU-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371663;MM371663;CC=NNC=CC(C)=NC;OVBSPKQEAXPCFS-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371664;MM371664;OCC1CC=C(CF)C1;UXBKOONJEBXQKI-UHFFFAOYSA-N;130.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371665;MM371665;CC=NN=CC=C(C)OC;VQKXJGHBOYYYQI-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371666;MM371666;CC=C(C)CCN=CNN;DOHKPAARLZRLGU-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371667;MM371667;CC=NN=CC=C(N)OC;MQZYIZBSNKDPAW-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371668;MM371668;CC=C(F)CCNC=NC;CFDMLKKMAFHBKU-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371669;MM371669;CC=CC=NN=C(C)CO;KOZMCEQJDXWZPG-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371670;MM371670;CC=C(F)CCN=CNN;QEESOZAPLQHLGT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371671;MM371671;CC(CO)=NN=CC=CF;UXDGQHOMSJBOQN-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371672;MM371672;CN=CNCCC(F)=CF;VRPLZPONCSRHPH-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371673;MM371673;CC=CC=NN=C(C)OC;WJZCESIVZJXPEK-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371674;MM371674;CC=NNCCC(F)=CF;VYGQGDYIZXOAGA-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371675;MM371675;COC(C)=NN=CC=CN;STISFJILQRGXHL-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371676;MM371676;CN=CNCCC(C)=NO;UMNZSPOZZKBJNI-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371677;MM371677;CC(O)CCC=CC#N;UVGYIXGHFUOBFR-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371678;MM371678;CC=COCCC(C)=CF;LEIYORQCGLYCQG-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371679;MM371679;C=CC(C)=CC=CC=CC;SMFODVRXQGBZIE-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371680;MM371680;CC=COCCC(F)=CF;CMGWLUGGOUYKSK-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371681;MM371681;CC(C=O)=CC=CC=CF;WXKVGXYMDNDBAO-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371682;MM371682;FC=COCCC(F)=CF;JVNLIGCFBHFWBL-UHFFFAOYSA-N;152.12;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371683;MM371683;C=CC(F)=CC=CC=CC;LZEDGBAXYPMZOR-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371684;MM371684;CCc1ncc(NC)o1;GCWZPQANKPTJOD-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371685;MM371685;CC=CC=CC=C(F)C=O;HQRSKEBCBWKCRW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371686;MM371686;CC=C(C)CCOC=NO;CKFXRYDEYJBMHK-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371687;MM371687;CC=CC=CC=C(F)C#N;HJFVBSLTDWJBKU-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371688;MM371688;CC(=CF)CCOC=NO;NFKDLEKRJPAWPV-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371689;MM371689;C=CC(C)=CC=CC=NN;MHMBTFGBZFRTFG-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371690;MM371690;CC=NOCCC(C)=CC;KNKFMGZAKNCJNT-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371691;MM371691;C#CC=CCCC(C)O;MVPAVPAXGDEXIN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371692;MM371692;CC=NOCCC(F)=CF;JRWKQMSZKDMOPR-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371693;MM371693;C=CC(N)=CC=NN=CC;HHBMLWIVNXLVRV-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371694;MM371694;CC(CCOC=CF)=NN;RITKNTYVBVTCQS-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371695;MM371695;CC#CCC(O)CCC;WKNUWAGWZSWIBS-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371696;MM371696;CC=COCCC(C)=NO;FFQOVRQRHXKRHE-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371697;MM371697;CC=NN=CC=C(F)C=O;LGWWSVPVRSAAEZ-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371698;MM371698;CC(CCOC=CF)=NO;XWVJWXHOIGUELJ-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371699;MM371699;C=CC(C)=NN=CC=CN;SRRWXHGQXHWSHH-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371700;MM371700;CC=NOCCC(C)=NN;VCSSNOJVKFHTPW-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371701;MM371701;CC(C=O)=NN=CC=CN;LSRGCOJTIUKALU-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371702;MM371702;CC=NOCCC(C)=NO;FYQXOKMRAICYPC-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371703;MM371703;CC(C#N)=NN=CC=CN;MORIRCJUMWDHMB-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371704;MM371704;CC=C(C)CNCC=CF;ZEUYKGZBNFZMLH-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371705;MM371705;CC(C#N)=NN=CC=CF;VQUJUTDSMJVVPS-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371706;MM371706;CC=CCNCC(C)=CF;LWURARIBUZGRAP-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371707;MM371707;CC(C=O)=NN=CC=NO;FWSQYDMBMKQFCG-UHFFFAOYSA-N;141.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371708;MM371708;CC=C(F)CNCC=NN;MAOMQVRQGXLDEU-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371709;MM371709;CC(CNCC=NN)=NN;PUYRSIIOEJOTMO-UHFFFAOYSA-N;143.19;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371710;MM371710;CC(C#N)=NN=CC=NO;QFCMVQIZWXVMHY-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371711;MM371711;CN=CNNCC(C)=NN;NFYUFAHVMGDGDT-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371712;MM371712;C#CC(F)=CC=CC=CC;SPSBCTGLRJSIRB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371713;MM371713;C=C1C(O)CC2C(C)C12;VQCKFEWQSKTAOW-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371714;MM371714;C#CC(C)=CC=CC=NN;WZUPACCRLUVSCN-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371715;MM371715;CC(COCC=NN)=NN;XEMAEOVLCKGDQH-UHFFFAOYSA-N;144.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371716;MM371716;C#CC(C)=CC=CC=NO;SZYKHKLVXJBLKO-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371717;MM371717;CC(COCC=NN)=NO;LLLMMIOKCMNSMW-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371718;MM371718;C#CC(C)=CC=NN=CC;LUHJSUXZSIMZSM-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371719;MM371719;CC=C(C)CONC=NC;GQKURRJJORNBLD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371720;MM371720;C#CC(N)=CC=NN=CC;DGAWUNNKBYHCQU-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371721;MM371721;CN=CNOCC(C)=CF;BJCUTLUFSXXOGJ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371722;MM371722;C#CC(F)=CC=NN=CC;VYIKEOSIYHZIQA-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371723;MM371723;C=CC(C)=CC(O)C(=C)C;ZBJZSNZMHVCHLL-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371724;MM371724;C#CC(C)=NN=CC=CC;YLMDGYOSIYNXLM-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371725;MM371725;CC=C(F)CONC=NC;JYXRWGOLNHUEPU-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371726;MM371726;C#CC(C)=NN=CC=CN;AYTDCZIVNXWJIN-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371727;MM371727;CC=C(F)CON=CNN;SZIFAPNKPCOHJY-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371728;MM371728;CC=CC(C)C(C)CO;BYDBEOWVJDXJPA-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371729;MM371729;CC1(O)C=CC(=CC#N)C1;LBFDFEAGVPYUJY-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371730;MM371730;CC#CC=CC=C(C)CC;IEPWPKGCAUXKKO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371731;MM371731;C=C1CC(CO)CC1(C)C;XQHRYJWDXIBVTR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371732;MM371732;CC#CC=CC=C(F)CC;IBMGVQKAWZQAKY-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371733;MM371733;CN=CNOCC(C)=NN;OKKYSSZNXMEUPD-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371734;MM371734;CC#CC=CC=C(C)OC;LSDBMKYUDDKEEB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371735;MM371735;CC(CON=CNN)=NN;RFWWRAOELYKVQT-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371736;MM371736;CC#CC=NN=C(C)CC;FABQIJKCKQYXPO-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371737;MM371737;C=CC(C)CC1(C)CC1O;QUEVEMWBYLKRBO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371738;MM371738;CC#CC=NN=C(C)CF;IULZWZYTWJDGHW-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371739;MM371739;CC=CCCNC(C)=NC;UKIXPEHOQPHNPM-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371740;MM371740;CC=CCCN=C(C)NN;RKFDQODZXQDHII-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371741;MM371741;CC#CC=NN=C(C)OC;QAJDJIVLNHBPDU-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371742;MM371742;CC(=NN)NCCC=NN;MBNSNUUUQYOCCU-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371743;MM371743;CC#CC=CC=C(C)C#N;MAKVZVSPEDKBLF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371744;MM371744;CC(=NN)NCCC=NO;JYWNINQEVBYJTJ-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371745;MM371745;C=CC(F)=CC=CC#CC;PXQDYZXTONIYJA-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371746;MM371746;CC(C=O)CC1(C)CC1O;HQGYNCHVYRTSSA-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371747;MM371747;CC#CC=CC=C(F)C#N;WQIFINKKXPKJFA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371748;MM371748;C=C(C#N)C(C)CC(C)O;RBAFIAWDSJTFAS-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371749;MM371749;C=CC(C)=NN=CC#CC;MOHJBRVEWMILTO-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371750;MM371750;CC(=NOCC=NN)NN;XMDHCNHVWYZBJT-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371751;MM371751;CC#CC=NN=C(C)C=O;KCDXZLIVNWDRQC-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371752;MM371752;C=CC1(O)CC1CC(C)C;WIBQEVSQKFVULD-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371753;MM371753;C#CC(C)=CC=CC#CC;TVWHJHPMSHLBCE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371754;MM371754;CC=CCCOC(C)=CC;CNEHXIHMOVJYDT-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371755;MM371755;C#CC(F)=CC=CC#CC;WOSQDAOMOQTZQF-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371756;MM371756;C=CC#CCCCC(C)O;OTSCFJMZAPVZKY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371757;MM371757;C#CC(C)=NN=CC#CC;XQUAJQWMIOGOHV-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371758;MM371758;CC=CCCOC(C)=NO;HETNHXZMPDUUOH-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371759;MM371759;CCCC#CC=C(C)CC;PPEGFYSOLPXLRQ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371760;MM371760;CC(=NN)OCCC=NO;LWJZARQOZRGVFK-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371761;MM371761;CCC(C)=CC#CCCN;UYRZJANCMIYRLY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371762;MM371762;CC(=NO)OCCC=NN;AZWMHCFRHFSLAZ-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371763;MM371763;CCC(C)=CC#CCCO;KCFCQOGBZWEBTD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371764;MM371764;CC(=NO)OCCC=NO;IQTJGEFUUBRTFW-UHFFFAOYSA-N;146.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371765;MM371765;CCC(C)=CC#CCCF;XUIWYXPCKYYXJS-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371766;MM371766;CC=COCOC(C)=CC;WPBKCJGUKUPIQC-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371767;MM371767;CCCC#CC=C(C)CN;HJSZUCWAUHQQKQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371768;MM371768;CC#CCCC1(C)CC1O;OWYUYVAPQALGQS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371769;MM371769;CCCC#CC=C(C)CO;PKXXXABNSWRGEW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371770;MM371770;CC=C(C)OCOC=NO;LDNHAQWEGYJEHB-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371771;MM371771;CCCC#CC=C(C)CF;DTPWCGYXCHWBJU-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371772;MM371772;CC(=CF)OCOC=NO;XKUKBJBSMVXKTC-UHFFFAOYSA-N;149.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371773;MM371773;CC(=CC#CCCN)CF;VYAWAUNTXFAEAI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371774;MM371774;CC=NOCOC(C)=CC;MXWJEYJZLJZJHZ-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371775;MM371775;CC(=CC#CCCO)CF;DZLDIPAAHWDPIC-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371776;MM371776;CC=NOCOC(C)=CF;NXCXOSDMPWMMEJ-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371777;MM371777;CCCC#CC=C(F)CC;QDKKMRZVOPGSOE-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371778;MM371778;CC=COCOC(C)=NO;GHRRDFNEWBQWAQ-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371779;MM371779;CCC(F)=CC#CCCN;NLGINCVPZSDTSX-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371780;MM371780;CC#CCCCC(C)=CC;NQQHYHBVZUWAKC-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371781;MM371781;CCCC#CC=C(F)CO;HQANDPDURPXWAQ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371782;MM371782;CC#CCCCC(C)=CF;VMDSJQSWJAYUBZ-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371783;MM371783;NCCC#CC=C(F)CO;VTHIHLPQXNEIOK-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371784;MM371784;CC#CCCCC(F)=CC;BEGSEEPPWDPSCU-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371785;MM371785;NCCC#CC=C(F)CF;CYJOAZUDFRGGKF-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371786;MM371786;CC#CCCCC(C)=NN;CNTHRLPMYXVJOZ-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371787;MM371787;CCC(C)=CC#CCNC;MRUBBKJYXOBKBQ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371788;MM371788;CC#CCCCC(C)=NO;USGRWMLVWPIGHU-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371789;MM371789;CCC(F)=CC#CCNC;ULAHITSKSSQNPB-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371790;MM371790;CC#CCNCC(C)=CC;ASVWWRRGZIBQDW-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371791;MM371791;CCC(C)=CC#CCOC;JGQJOYAFZAIZTD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371792;MM371792;CC#CCOCC(C)=CC;LCCAZJXTSUZMQG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371793;MM371793;COCC#CC=C(C)CN;NQRVGAWSJKFZGY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371794;MM371794;CC#CCOCC(C)=NO;ZGZOVQNFPSRDIP-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371795;MM371795;COCC#CC=C(C)CO;RCPMPOIQZPSOTH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371796;MM371796;CC#CCON=C(C)NN;IGSAJRCPXBCDOX-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371797;MM371797;CCCC#CC=C(C)OC;BRHCOCGLEMKFNF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371798;MM371798;C#CC1=CC(O)(C=C)CC1;DDBHILDXXRLTRK-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371799;MM371799;COC(C)=CC#CCCN;PITIRQLMRKCGCL-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371800;MM371800;CC#CCCOC(C)=CC;NLALXUVIVHJFIQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371801;MM371801;COC(C)=CC#CCCF;PYDCTXQKVFJSRO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371802;MM371802;C#CC(OC)ON=C(C)C;DJWRCOBISPBJIT-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371803;MM371803;COCC#CC=C(C)OC;AGYCPEZHGNYSHU-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371804;MM371804;CC#CCCOC(C)=NO;HWQBNDKAQPSAKP-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371805;MM371805;C=CCC#CC=C(C)CC;IFXMONFEFCAZAS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371806;MM371806;CC=C(C)CCC=CCC;GOFYIRJAFNUSPO-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371807;MM371807;CCC(C)=CC#CCC=O;WPLNPWJIXZBKOA-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371808;MM371808;CC=C(C)CCC=CCN;KKXUFDIAAMTJQY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371809;MM371809;CCC(C)=CC#CCC#N;UARYFWHNVRFMGT-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371810;MM371810;CC=C(C)CCC=CCO;UATUTVZWNSTIKI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371811;MM371811;C=CCC#CC=C(C)CN;FNYXYHFIDCOCRQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371812;MM371812;CC(=CF)CCC=CCN;MZTUNZSOYWYFOV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371813;MM371813;C=CCC#CC=C(C)CO;ORAZPYISZNEBKW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371814;MM371814;CC=C(F)CCC=CCC;XFADKGAQPKKYEZ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371815;MM371815;CC(=CC#CCC=O)CO;SYTDNYCEXPNUKM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371816;MM371816;CC(=CC#CCC#N)CO;GWRAEUSQUWPEIJ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371817;MM371817;CC=C(F)CCC=CCO;CNJGMBVLDQZOPI-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371818;MM371818;C=CCC#CC=C(C)CF;KPPNXXURMMYIQR-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371819;MM371819;CCC=CCCC(F)=CF;NOAPNDODAYLKMK-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371820;MM371820;CC(=CC#CCC=O)CF;STLOPNRGMHJLQX-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371821;MM371821;COC=CCCC(C)=CF;SWKNCOLHIXIPFR-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371822;MM371822;C=CCC#CC=C(F)CC;MRQTXLYOQQQZRP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371823;MM371823;CCC=CCCC(C)=NN;JSSXRGUGDJTKMH-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371824;MM371824;CCC(F)=CC#CCC=O;GGWSYJLUDFAOHS-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371825;MM371825;C=CC1(C=C)C=CC(O)C1;TWGJXWBGBXQFRX-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371826;MM371826;C=CCC#CC=C(F)CO;ZXJNAONMGFQJAO-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371827;MM371827;CC(CCC=CCF)=NN;PYWMQASNZRABQW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371828;MM371828;N#CCC#CC=C(F)CO;ZLAVZRFKOLTNEY-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371829;MM371829;N#CC12CCC(CO)(C1)C2;LNOKIPGOVGTQMP-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371830;MM371830;C=CCC#CC=C(C)OC;HYBMMOIQFNZDQC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371831;MM371831;CC(CCC=CCN)=NO;UIXHBKZLSKACBT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371832;MM371832;COC(C)=CC#CCC=O;ACWFGOVRAXMPCV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371833;MM371833;CC(CCC=CCO)=NO;YCYRQOLVEGRJKK-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371834;MM371834;COC(C)=CC#CCC#N;FHAVIIYJEIFDAY-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371835;MM371835;CON=CCCC(C)=NN;AELVATKIFPFGAF-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371836;MM371836;C#CCC#CC=C(C)CC;RZPBNQRGXPAADG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371837;MM371837;CC=C(C)CNC=NCC;OJHFEHLLOGMCLI-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371838;MM371838;C#CCC#CC=C(C)CN;PNKSAKMZLBCOSZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371839;MM371839;CCN=CNCC(F)=CF;QWUBAUKTTFQIKH-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371840;MM371840;C#CCC#CC=C(C)CO;LBVRQFPCKDSSCS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371841;MM371841;CON=CNCC(F)=CF;CNJNIGHNZYLTIW-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371842;MM371842;C#CCC#CC=C(C)CF;DPTGHMNJMAKOIT-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371843;MM371843;CCN=CNCC(C)=NO;WLWQNNYPUAIZJA-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371844;MM371844;C#CCC#CC=C(F)CC;PPJZQXIRTSYIMU-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371845;MM371845;C=CC(C)=C(C)C(O)C=C;CDLLDETXOITWCT-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371846;MM371846;C#CCC#CC=C(F)CO;CTTREYOYRFCUBY-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371847;MM371847;CC=C(C)CNN=CCC;HZWRHFKICMBUKO-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371848;MM371848;C#CCC#CC=C(F)CF;YHZAEQYUDWDYJX-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371849;MM371849;CCCOC(C)=NNC=N;SWBLRZCEQCLDSU-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371850;MM371850;C#CCC#CC=C(C)OC;CCZYAXPHJGDTHQ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371851;MM371851;C#CC(OCC)ON=CC;VGMYHYMJESIDCR-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371852;MM371852;C=CC(C)=CC#CCCC;HTAHYAFIUZFCJH-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371853;MM371853;C=CCC(CO)CC#CC;ZOLUOHPLFSUFEG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371854;MM371854;C=CC(C)=CC#CCCN;LWVOMESSIXTDNS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371855;MM371855;CNC(=NN)N(C=O)C=O;ASTKXTVOGYYHJS-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371856;MM371856;C=CC(C)=CC#CCCO;ZKYNNLORQOJTLZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371857;MM371857;CC=C(C)COC=CCF;GJZOGZJWSRHRKC-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371858;MM371858;CCCC#CC=C(C)C=O;ANKZINQVOYSUJW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371859;MM371859;CC=C(F)COC=CCO;XHZLVDKNWDNSLL-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371860;MM371860;CCCC#CC=C(C)C#N;PQOKPYGCSXGGEM-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371861;MM371861;NCC=COCC(F)=CF;ZQPQIQHBXGLVOZ-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371862;MM371862;CC(C=O)=CC#CCCO;YWDLXTZAPGKHSI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371863;MM371863;OCC=COCC(F)=CF;QOCRRWQJDHKXAH-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371864;MM371864;CC(C#N)=CC#CCCO;QOMBUUKFCCHQDC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371865;MM371865;CC=C(F)COC=COC;PPCQIIHEPUWDQY-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371866;MM371866;C=CC(F)=CC#CCCC;UTDWPBVRGWKPGD-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371867;MM371867;COC=COCC(F)=CF;IJHWIUCCBBEFLM-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371868;MM371868;C=CC(F)=CC#CCCO;GQWJAGNZLVDONV-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371869;MM371869;C#CC(OC)ON=CNN;LXDGVUOLKSDDAU-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371870;MM371870;CCCC#CC=C(F)C#N;LIUGOUDUKYCOJQ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371871;MM371871;CC=C(F)COC=NOC;YVKHQARAWUOUNK-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371872;MM371872;O=CC(F)=CC#CCCO;QEJLKNPGLXFYSO-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371873;MM371873;CC(COC=CCF)=NN;YOMKAVVTAAYAJW-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371874;MM371874;N#CC(F)=CC#CCCO;LFRBDWBAVOTYIN-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371875;MM371875;COC=COCC(C)=NN;HVASKFFSWAFCKA-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371876;MM371876;C=CC(C)=CC#CCNC;OLUVNDMDCBFLPJ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371877;MM371877;CCC=NNC(C=O)CC;DVPQXZCKXYEDAF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371878;MM371878;C=CC(F)=CC#CCNC;ODMKFEBYYIXWGD-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371879;MM371879;CNN=COCC(C)=NO;DZGOYWBLXOTCOY-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371880;MM371880;CNCC#CC=C(F)C#N;YYGYDSQRHDAUDB-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371881;MM371881;CC=C(C)CON=CCN;HRNHLTPXLDRZTK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371882;MM371882;COCC#CC=C(C)C=O;KMLLTERNSHRLMU-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371883;MM371883;CCC=NOCC(C)=CF;QYXADCCIEJBCBS-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371884;MM371884;COCC#CC=C(C)C#N;NVIGJMYWBBAUSS-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371885;MM371885;CC(=CF)CON=CCN;VCRPKDMVBHUBBB-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371886;MM371886;C=CC(F)=CC#CCOC;KKQQBVQCDVKEKI-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371887;MM371887;CC=C(F)CON=CCC;SZPWJKXVMODIEN-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371888;MM371888;COCC#CC=C(F)C#N;IMRVTNIPVUYSBN-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371889;MM371889;CCC=NOCC(F)=CF;YCVGASGYTJKQSD-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371890;MM371890;C=CCC#CC=C(C)C=C;OZNSLNGPXSRABF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371891;MM371891;C#CC(OC)ON=CCC;PQAOECJWNOHUKH-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371892;MM371892;C=CC(C)=CC#CCC=O;YKYFGYINBTUYPW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371893;MM371893;CC=C(C)CON=COC;WCSLWALGQZIYTC-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371894;MM371894;C=CC(C)=CC#CCC#N;SQTSERMLCAFOBV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371895;MM371895;COC=NOCC(C)=CF;MNTVAQUASGIWTI-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371896;MM371896;C=CCC#CC=C(C)C=O;KIAZSORALMDPNR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371897;MM371897;CC=C(F)CON=COC;KRFYQBCIASPDDA-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371898;MM371898;C=CCC#CC=C(C)C#N;VPSVZDCVYUAZHN-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371899;MM371899;COC=NOCC(F)=CF;LBZJKTJVCSIICY-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371900;MM371900;CC(C=O)=CC#CCC=O;NLLGYGYBZUSETC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371901;MM371901;CCC=NOCC(C)=NN;ZZNZBFKEYMAVAD-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371902;MM371902;CC(C#N)=CC#CCC=O;OTKLEAOCPZQEHD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371903;MM371903;CC(=NN)NCC=CCO;CRGULEDLRMNVFM-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371904;MM371904;CC(C=O)=CC#CCC#N;DPKWPDWHUJUYBI-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371905;MM371905;CC(=NO)NCC=CCN;YFZVLVKASRANCB-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371906;MM371906;CC(C#N)=CC#CCC#N;PHTGGSPGOHCIQM-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371907;MM371907;CNC(C)=NCC=COC;NLOQBLZDWZTIMX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371908;MM371908;C=CCC#CC=C(F)C=C;IFQNQUIBLVTXSZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371909;MM371909;COC=CCN=C(C)NN;AABVTAYDMVWPCH-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371910;MM371910;C=CC(F)=CC#CCC=O;PBCFFEZBAPMRID-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371911;MM371911;COC=CCN=C(C)NO;HNVVFSIDZCHQHU-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371912;MM371912;CNC(C)=NCC=NOC;OJTMDKIISCTYOD-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371913;MM371913;C=CC(F)=CC#CCC#N;DGQUFPKSAWNNMO-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371914;MM371914;CCN=CNNC(C)=NO;ZNDQUKUZCWZPPC-UHFFFAOYSA-N;144.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371915;MM371915;C=CCC#CC=C(F)C#N;XBMXCXRYFJNCMV-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371916;MM371916;CNN=CNN=C(C)NC;CXQQIPQZHJJRBQ-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371917;MM371917;N#CC(F)=CC#CCC=O;MDNDVBRFNJCDNZ-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371918;MM371918;CNC(C)=NNC=NOC;ORCZMQCIVUOXDQ-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371919;MM371919;N#CCC#CC=C(F)C=O;PWPKOSGHOPVXLS-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371920;MM371920;C#CC(OC)ON=CC=C;RRFYNVCXTVQHPO-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371921;MM371921;C#CCC#CC=C(C)C=C;PURMDSNHVIWGHD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371922;MM371922;CC(=CF)OCC=CCF;XFTXZMYFWGLCIV-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371923;MM371923;C#CCC#CC=C(C)C=O;FWUNWWUCIDLMEL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371924;MM371924;CC=C(C)OCC=NNC;DLQYNYCZPFFECL-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371925;MM371925;C#CCC#CC=C(C)C#N;KUSIRVXNXGZPCB-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371926;MM371926;CNN=CCOC(C)=CF;VTSDNXQACXGNQR-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371927;MM371927;C#CCC#CC=C(F)C=C;XWFHPFPWUBAAGF-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371928;MM371928;CC=C(C)OCC=NOC;QYPXBCCMCUNQED-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371929;MM371929;C#CCC#CC=C(F)C=O;RHOGJUSKFDSATM-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371930;MM371930;C#CCC#CC=C(F)C#N;QZMDBFQRGYLDOY-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371931;MM371931;CC(C)C1=CCC(CO)C1;OCQFUDLLBAMGSK-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371932;MM371932;C#CC(C)=CC#CCCC;SMWBYYKBVOZYAL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371933;MM371933;CCC=CCOC(C)=NO;RKIKDRQWQRIIDK-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371934;MM371934;C#CC(C)=CC#CCCN;CMTKGSJEGMBXOY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371935;MM371935;CCCC1=CCC(CO)C1;QVOIHVXBWLDBRN-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371936;MM371936;C#CC(C)=CC#CCCO;NXXXBKOZELKSCQ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371937;MM371937;COC=CCOC(C)=NO;RYGYMGLGIBYNMC-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371938;MM371938;C#CC(F)=CC#CCCC;HMBLKNJDFRJTEU-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371939;MM371939;CNN=CCOC(C)=NO;GTBRQFGFXKKGLM-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371940;MM371940;C#CC(F)=CC#CCCN;JTAQLCYZNCFGMC-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371941;MM371941;C=CCC1=CCC(CO)C1;KVQHMZPFLBCRIV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371942;MM371942;C#CC(F)=CC#CCCO;KCRLYEJUFKRENI-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371943;MM371943;CNN=CNOC(C)=NO;RAHXBAJQYWAXKX-UHFFFAOYSA-N;146.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371944;MM371944;C#CC(C)=CC#CCNC;RUCXLOMYOLQWRK-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371945;MM371945;C=CC=CCCC(C)=CC;AYQSFMMLRHXLRU-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371946;MM371946;C#CC(C)=CC#CCOC;MDIFFEMAWUPTAL-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371947;MM371947;CC=C(C)CCC=CC#N;HPHAJCZAENUUCT-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371948;MM371948;C#CC(F)=CC#CCOC;LOKHWLZOYXOWIU-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371949;MM371949;C=CC=CCCC(C)=CF;LHSWMNFCXBBHHB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371950;MM371950;C#CC(C)=CC#CCC=C;SCXRRVONIFUYIP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371951;MM371951;CC(=CF)CCC=CC=O;NVUBYODTNAOEKX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371952;MM371952;C#CC(C)=CC#CCC=O;WLEUVJQFLNDTOA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371953;MM371953;C=CC=CCCC(F)=CC;BCTRGANGBUZUFG-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371954;MM371954;C#CC(C)=CC#CCC#N;QQVRVSJFNGGYBZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371955;MM371955;CC=C(F)CCC=CC=O;RNKWVWQAFQJFDV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371956;MM371956;C#CC(F)=CC#CCC=C;KIJUWUVOUHITJX-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371957;MM371957;C=CC=CCCC(F)=CF;DVRCLKRMSZMCGY-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371958;MM371958;C#CC(F)=CC#CCC=O;FIFPEPWVVGNEKW-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371959;MM371959;C=NN=CCCC(F)=CC;OSBYZTDHLSFYTO-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371960;MM371960;C#CC(F)=CC#CCC#N;NIXWVRIWSAYBNZ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371961;MM371961;C=CC=CCCC(C)=NN;BTFDJKJMDNXMKM-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371962;MM371962;C#CCC#CC=C(C)C#C;HBBBWDPCVSRWGH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371963;MM371963;C=CC=CCCC(C)=NO;SDYBUALVLYTPEZ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371964;MM371964;C#CCC#CC=C(F)C#C;PJBUDIVRUOINST-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371965;MM371965;CC(CCC=CC=O)=NO;RTTMSUUCECQEQT-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371966;MM371966;CC=CC#CC=C(C)CC;ONXQDUFHXQRVOD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371967;MM371967;CC=C(C)CNC=CC#N;WFEVEXQTUAGDPS-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371968;MM371968;CCC(C)=CC#CC=CF;YGGOBMKRRWKCAZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371969;MM371969;CC(=CF)CNC=CC#N;USBVLRYFKGQRDE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371970;MM371970;CC=CC#CC=C(C)CN;LGHOGJHWSJFWQW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371971;MM371971;CC=C(F)CNC=CC=O;FBGYOJOLOGURQM-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371972;MM371972;CC(=CC#CC=CF)CN;GEEDSYYGGQYRHC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371973;MM371973;N#CC=CNCC(F)=CF;FJICQUMJEIIJTM-UHFFFAOYSA-N;144.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371974;MM371974;CC=CC#CC=C(C)CO;HEVKVOWOLKULJP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371975;MM371975;CC=C(F)CN=CNC=O;GJMSZMSKLZSCEY-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371976;MM371976;CC=CC#CC=C(F)CC;FAEFOSMAVDGZIL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371977;MM371977;O=CCC1=CCC(CO)C1;MILIYAAYJZLLAC-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371978;MM371978;CCC(C)=CC#CC=NN;PMGLASDLSIEOTG-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371979;MM371979;CC(CN=CNC=N)=NN;MFAQOINSDBIULM-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371980;MM371980;CCC(C)=CC#CC=NO;OVYLFQXRCBSAGH-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371981;MM371981;N#CCC1=CCC(CO)C1;SQQNOOMFYKBDQO-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371982;MM371982;CCCC1=CCC(O)C1;UCCOJZSZMABMQX-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371983;MM371983;C#CCC1=CCC(CO)C1;RQSINIKTRLBMHQ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371984;MM371984;C=NNC=NCC(C)=NO;XPOKWTSCRDKTOP-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371985;MM371985;CC(=CC#CC=NO)CO;MKZCWIUIKOGEBH-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371986;MM371986;CC(=CC#CC=NN)CF;UGINICLTNWVGHH-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371987;MM371987;C#CC1CC1CC(O)C=C;GJHHZQBYJCLFQD-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371988;MM371988;CC=C(C)CNN=CC#N;OBEMLVCVUXPENS-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371989;MM371989;CC(=CC#CC=NO)CF;GKQQQAHULJWDIP-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371990;MM371990;CC(=CF)CNN=CC#N;XVJVXPWXIPPINS-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371991;MM371991;CCC(F)=CC#CC=NN;KUUMKMULKVYCIA-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371992;MM371992;C=CC=NNCC(F)=CC;QBOHEHGLXAZIMC-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371993;MM371993;CC=CC#CC=C(C)OC;RCESUDNJKIMGBX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371994;MM371994;N#CC1=CC2CC2(CO)C1;MFYYAFATHSYYJO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371995;MM371995;COC(C)=CC#CC=CF;CNOZVLOGUGIUCW-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371996;MM371996;C=CC=NNCC(F)=CF;YMOMFNZXNIYLTC-UHFFFAOYSA-N;146.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371997;MM371997;COC(C)=CC#CC=NN;MGZLXVQVPXFLPC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371998;MM371998;N#CC=NNCC(F)=CF;BVDPSMFXEIZQKK-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM371999;MM371999;COC(C)=CC#CC=NO;WDUWZYGEMRGGHZ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372000;MM372000;CC(CNN=CC#N)=NO;WZLMFYJSQURQJO-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372001;MM372001;C=CC(C)=CC#CC=CC;IMQPYNGIIDQJEN-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372002;MM372002;C=CC=COCC(C)=CC;FBOGIRBNENSZKR-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372003;MM372003;CC=CC#CC=C(C)C=O;CJNXJAQWVHCCRT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372004;MM372004;CC(=CF)COC=CC=O;NEFKBFFNYSFWBI-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372005;MM372005;CC=CC#CC=C(C)C#N;YHNPANWRXVNVQY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372006;MM372006;CC(=CF)COC=CC#N;BIMMZFWXRZJUNV-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372007;MM372007;CC(C=O)=CC#CC=CF;KZYFDDUUFDSCNV-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372008;MM372008;CC=C(F)COC=CC=O;DTVANPVIVUDHQG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372009;MM372009;C=CC(F)=CC#CC=CC;NFVCNJBMWZJCQA-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372010;MM372010;N#CC=COCC(F)=CF;CNCWHXBIGZHHAM-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372011;MM372011;C=CC(F)=CC#CC=CF;AYDJMSSMLOPEKU-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372012;MM372012;C=NN=COCC(F)=CC;QKQILRNABDHQEK-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372013;MM372013;CC=CC#CC=C(F)C#N;WMOMFPIZRXSCED-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372014;MM372014;C=NN=COCC(F)=CF;WXFFUMKBVICLRC-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372015;MM372015;C=CC(C)=CC#CC=NN;ONURCYUHIZUVKN-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372016;MM372016;C=CC=COCC(C)=NN;ISHHNEQRMQZESE-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372017;MM372017;C=CC(C)=CC#CC=NO;JXSAXVBJHWUUPF-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372018;MM372018;C=CC=COCC(C)=NO;WDUHSVZUOOHGNI-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372019;MM372019;CC(C#N)=CC#CC=NO;TZTVTHIZZXPGCJ-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372020;MM372020;CC=C(C)CON=CC=O;KQYOLJXXEULOEY-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372021;MM372021;C=CC(F)=CC#CC=NN;WAJZPBKMYOMPRT-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372022;MM372022;C=CC=NOCC(C)=CF;WMDPRADPBYNQIB-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372023;MM372023;C=CC(F)=CC#CC=NO;VTXRWCQUFFRMEH-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372024;MM372024;CC=C(F)CON=CC#N;GNGMQDUEUUVSHI-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372025;MM372025;N#CC(F)=CC#CC=NO;YPIOGVUBHDERQD-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372026;MM372026;O=CC=NOCC(F)=CF;MEBRFGHMQWAPSF-UHFFFAOYSA-N;149.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372027;MM372027;C#CC(C)=CC#CC=CC;IEIHUJNGZSKHLE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372028;MM372028;N#CC=NOCC(F)=CF;CQBDVLFPRBVWBF-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372029;MM372029;C#CC(C)=CC#CC=CF;GXJPGOPTEIHXNN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372030;MM372030;C=CC=NOCC(C)=NN;CVYLAIFMHSNMIM-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372031;MM372031;C#CC(F)=CC#CC=CC;BXKASJKDVAQMFL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372032;MM372032;CN=C(C)NCC=CC#N;YHFQTDMAFWOIAY-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372033;MM372033;C#CC(C)=CC#CC=NN;HTXCNWPUMKXCMN-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372034;MM372034;CN=C(C)NNC=CC=O;WYAAEODUCKFCBG-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372035;MM372035;C#CC(C)=CC#CC=NO;SRBNTOFUOIEKCY-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372036;MM372036;C=CC1(O)CC1CC1CC1;QWNKMAYRKUWJOE-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372037;MM372037;C#CC(F)=CC#CC=NN;AUDHHFVPLHURKT-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372038;MM372038;C=NNC(C=O)CC;MIMQAWTVLBUGAM-UHFFFAOYSA-N;114.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372039;MM372039;CC#CC#CC=C(C)CC;MXNXCUCFZQPAEE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372040;MM372040;CC(=CF)OCC=CC=O;SIVTYJHARRDTGW-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372041;MM372041;CC#CC#CC=C(C)CN;VKCYWHAJKHFXPW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372042;MM372042;C#CC(C)CC(O)C=C;NNQBLCPSBIWIFS-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372043;MM372043;CC#CC#CC=C(C)CO;AUXBIIUTFMRMTG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372044;MM372044;C=CC=CCOC(C)=NO;UZIKGHCJWHBHQN-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372045;MM372045;CC#CC#CC=C(C)CF;PPIATCIZSZBJRR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372046;MM372046;C=C(CC)C(=C)C(C)O;OQKOTJHSMUNCGZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372047;MM372047;CC#CC#CC=C(F)CC;SJAINZRVMZUQPW-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372048;MM372048;C=NN=CCOC(C)=NO;WXYCGLGWNDJMAX-UHFFFAOYSA-N;143.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372049;MM372049;CC#CC#CC=C(F)CO;RGOWFDZLIKJNNY-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372050;MM372050;C#CC=CCCC(C)=CC;CCUDMQYQTQUXCI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372051;MM372051;C#CC=CCCC(C)=CF;JIHLPQGDNWXKFU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372052;MM372052;CC#CC#CC=C(F)CF;WNNLEFRRBPFBPP-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372053;MM372053;C#CC=CCCC(F)=CC;IGCZAJDTHUZJHV-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372054;MM372054;CC#CC#CC=C(C)OC;REAVVCHGVJEZOT-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372055;MM372055;C#CC=CCCC(C)=NN;CUDPZLZODFTKAD-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372056;MM372056;C=CC(C)=CC#CC#CC;JCBRTGMOCRYJGB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372057;MM372057;C#CC=CCCC(C)=NO;WKOYULLGQSXNRT-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372058;MM372058;CC#CC#CC=C(C)C=O;XLRWQJGAQRILDI-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372059;MM372059;C#CC=NNCC(F)=CC;WVRXJIPCEARRJT-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372060;MM372060;CC#CC#CC=C(C)C#N;HQEAXEJYGGDCAT-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372061;MM372061;C=C(C(C)=CC)C(C)O;QMSKWBUYSXQSGD-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372062;MM372062;C=CC(F)=CC#CC#CC;USSLVBQGEZMXQS-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372063;MM372063;C#CC=COCC(C)=CF;GCBAHIZXQDSIKI-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372064;MM372064;CC#CC#CC=C(F)C=O;PDOQIMUKUQQGMH-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372065;MM372065;C#CC=COCC(F)=CC;HUUAXBWGXLXKQN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372066;MM372066;CC#CC#CC=C(F)C#N;ZMRSCDLOXQTSCQ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372067;MM372067;C#CC=COCC(F)=CF;KAPNQQHJVZMIMR-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372068;MM372068;C#CC(C)=CC#CC#CC;AETJKRVPOYKJHE-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372069;MM372069;C#CC=COCC(C)=NN;ZIMIKRJXVKFKRA-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372070;MM372070;C#CC(F)=CC#CC#CC;ARWMURYYDMJWRY-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372071;MM372071;C#CC=NOCC(C)=CC;WJELWPLXKBTNRM-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372072;MM372072;CCCCC1CC1(C)CC;RAYHVWHINHDWSF-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372073;MM372073;C#CC=NOCC(F)=CC;WEFPZHZIPVKJHR-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372074;MM372074;CCC1(C)CC1CCCN;JPSJYXXEKPLTAC-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372075;MM372075;C#CC=NOCC(F)=CF;YWBDRQRTTVHVGQ-UHFFFAOYSA-N;145.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372076;MM372076;CCCCC1CC1(C)CN;AAJYTPSHFGMQDN-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372077;MM372077;C#CC=CCNC(C)=NN;RTEOPVVZGXPWER-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372078;MM372078;CCNc1coc(C)n1;ZKTRXKVHRPRLFC-UHFFFAOYSA-N;126.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372079;MM372079;C#CCCC1(C)CC1O;YEPWCXFOCUVKTN-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372080;MM372080;C=NNC1=CC(=O)N=C1;XFDIZKVBADCMJS-UHFFFAOYSA-N;123.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372081;MM372081;C#CC=CCOC(C)=CF;PJYGGHNPVDBUAH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372082;MM372082;C#CC1=C(C)CC(O)C1;JCCMSFXTLXEBKQ-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372083;MM372083;C#CCC(O)C(=C)C=C;OPFYMXIXTAFOBB-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372084;MM372084;CCCCC1CC1(C)CF;ZUTZMNFVZCNADZ-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372085;MM372085;C#CC=CCOC(C)=NO;JHPCMNSHQGDVTJ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372086;MM372086;CC1(CF)CC1CCCN;DZMLIVGXMVMJRL-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372087;MM372087;CC=C(C)CCC#CCC;SPSIFMGLSDSTME-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372088;MM372088;CC1(CF)CC1CCCO;KIXVBQOPPUJZRP-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372089;MM372089;CC=C(C)CCC#CCN;PMNNDJJBVGLLLK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372090;MM372090;CCCCC1CC1(N)CC;WMNOEEHWNFQOPY-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372091;MM372091;CC=C(C)CCC#CCO;VMHZCARUYJFGIS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372092;MM372092;CCC1(N)CC1CCCN;NUGBTZDRCXLJSS-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372093;MM372093;CC=C(C)CCC#CCF;NHFWCXUQOJSTQH-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372094;MM372094;CCCCC1CC1(N)CN;SWFVRSXHPKTSCX-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372095;MM372095;CCC#CCCC(C)=CF;AGMQEDRIANSYNL-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372096;MM372096;NCCCC1CC1(N)CN;ORFBTRTZRFHJAV-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372097;MM372097;CC(=CF)CCC#CCN;NWZUWORQJKHXHD-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372098;MM372098;NCC1(N)CC1CCCO;WWGARNKMKZPUDX-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372099;MM372099;CC(=CF)CCC#CCO;MUHLTEZWESVRKM-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372100;MM372100;NCC1(N)CC1CCCF;IIVRJIWZEYQUNE-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372101;MM372101;CC(=CF)CCC#CCF;LSZZJFVWUNEUGU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372102;MM372102;CCCCC1CC1(N)CO;FKAOQBKFBZMYKE-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372103;MM372103;CC=C(F)CCC#CCC;DZGHUQLOCJRNBJ-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372104;MM372104;NC1(CO)CC1CCCO;XYKSSEVAACUWCN-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372105;MM372105;CC=C(F)CCC#CCN;NDWGFIQEDDSLPH-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372106;MM372106;CCCCC1CC1(N)CF;GPHZYIBQTHKOCP-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372107;MM372107;CC=C(F)CCC#CCO;GCNRJFUUNHCHJI-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372108;MM372108;NC1(CF)CC1CCCO;ZHVDRVXDCDGJKQ-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372109;MM372109;CC=C(F)CCC#CCF;XYNUFLAZNUFLJU-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372110;MM372110;O=C1CN2CC2(CF)C1;PBJRAIBJZWLPAX-UHFFFAOYSA-N;129.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372111;MM372111;CCC#CCCC(F)=CF;LSDIFUSWKJJRKM-UHFFFAOYSA-N;144.16;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372112;MM372112;CC1CC1C1(C)CC1O;QXINYSSGDRAKAJ-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372113;MM372113;OCC#CCCC(F)=CF;YLIROFVNJSMIHY-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372114;MM372114;CCCCC1CC1(O)CN;QHFQVFADBBETQW-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372115;MM372115;CCC#CCCC(C)=NN;XAUOSOHQTTVXDK-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372116;MM372116;NCCCC1CC1(O)CN;ILJCBXFGLOMNII-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372117;MM372117;CCC#CCCC(C)=NO;IQJCDDXYARBVTC-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372118;MM372118;NCC1(O)CC1CCCO;DOKHOBDRSIAHIJ-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372119;MM372119;CC(CCC#CCF)=NO;XAXRMGDUESHWJS-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372120;MM372120;CCCCC1CC1(O)CO;DVCBHBNTZBIHJY-UHFFFAOYSA-N;144.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372121;MM372121;CCC#CCN=C(C)NC;CRNCZWXVBUYJHO-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372122;MM372122;NCCCC1CC1(O)CO;SZPNRPXCHVINEN-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372123;MM372123;CN=C(C)NCC#CCO;TYOJFRNCLFIPPB-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372124;MM372124;OCCCC1CC1(O)CO;ZBNAIGXAJWCKFS-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372125;MM372125;CN=C(C)NCC#CCF;XQFSRXODEHOSMA-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372126;MM372126;CCCCC1CC1(O)CF;GEFXJDSDKYNYCP-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372127;MM372127;CCC#CCN=C(C)NN;SKCSQLINAPEBND-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372128;MM372128;OCCCC1CC1(O)CF;KKULDNHSTPTTGO-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372129;MM372129;CC(=NO)NCC#CCN;HHBHQYJSVQWXLF-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372130;MM372130;C#CC1(C)C(C)C1CO;PABHNOATKHLYEP-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372131;MM372131;CCCCC1CC1(F)CC;HLZWVXSWCMKQMB-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372132;MM372132;CC=C(C)OCC#CCC;XATQJTBGJRUIKK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372133;MM372133;CCC1(F)CC1CCCN;CGZCCJZYTJOBPW-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372134;MM372134;CC=C(C)OCC#CCN;POZVFLGKDNUDSP-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372135;MM372135;CCC1(F)CC1CCCO;OKXUNYGYXNJESP-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372136;MM372136;CC=C(C)OCC#CCO;CRVLSKSEGLBLIB-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372137;MM372137;CCCCC1CC1(F)CN;LISMGYBQASZUDB-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372138;MM372138;CC(=CF)OCC#CCO;FNJLGPPACXFMQK-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372139;MM372139;NCCCC1CC1(F)CN;HCZXJWWNWMMUTL-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372140;MM372140;C=C1CC(CO)CC1C;KMBNOPKDPGMNGE-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372141;MM372141;NCC1(F)CC1CCCO;KFRHTCVBXMPXQL-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372142;MM372142;CCC1=CC2(O)CC1C2;GRNDSJRQAWOOHD-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372143;MM372143;CCCCC1CC1(F)CO;SBYITDBSYDGXKN-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372144;MM372144;NN=CC#CC1CC1F;PJTFPAMRVZLQDD-UHFFFAOYSA-N;126.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372145;MM372145;OCCCC1CC1(F)CO;NZMRFRZVUPRCNU-UHFFFAOYSA-N;148.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372146;MM372146;CCC#CCOC(C)=NO;HWJKUMJQTPLWGA-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372147;MM372147;OCC1(F)CC1CCCF;RVDMGTQVGZOTHI-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372148;MM372148;CC(=NO)OCC#CCN;WPNFPRKIHLWBHY-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372149;MM372149;CCCCC1CC1(F)CF;DFVNNHWRDZDUIC-UHFFFAOYSA-N;148.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372150;MM372150;CC(=NO)OCC#CCO;YPTNVNJJCKZXKU-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372151;MM372151;OCCCC1CC1(F)CF;IEIPCNUAYMYKFX-UHFFFAOYSA-N;150.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372152;MM372152;CC(=NO)OCC#CCF;QYJYOZJBOHDSMU-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372153;MM372153;CCC1(C)CC1CCNC;UPUPFCOJAUHGDK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372154;MM372154;C=CC#CCCC(C)=CC;COFDEBAEYILMSP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372155;MM372155;CNCCC1CC1(C)CN;MZQUWWDQMJGSQR-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372156;MM372156;CC=C(C)CCC#CC=O;XZBLREUORYEXQT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372157;MM372157;CNCCC1CC1(C)CO;GLDQVWBRHDFILS-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372158;MM372158;CC=C(C)CCC#CC#N;PZQJDQAAPALRPG-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372159;MM372159;CNCCC1CC1(C)CF;XMCNAKPOBPRNCZ-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372160;MM372160;CC(=CF)CCC#CC#N;KXFZLOGWGJUHHQ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372161;MM372161;CNCCC1CC1(N)CN;YASZTSPKMPHRAC-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372162;MM372162;C=CC#CCCC(F)=CC;DKMVLZOUDXDXQO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372163;MM372163;CNCCC1CC1(N)CO;ONSFOKRTKFURIF-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372164;MM372164;CC=C(F)CCC#CC=O;HTDGKGHHMFFPRA-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372165;MM372165;CCC1(O)CC1CCNC;GGOOQUGUZRWMGA-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372166;MM372166;CC=C(F)CCC#CC#N;RVSWYVCGSGMANG-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372167;MM372167;CCC1(F)CC1CCNC;JRWLGZGHXAVFAL-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372168;MM372168;C=CC#CCCC(F)=CF;GIULNDCVEMPUDV-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372169;MM372169;CCC1(C)CC1CCOC;RRYNUZNJUSGMFY-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372170;MM372170;N#CC#CCCC(F)=CF;KZAMFSZXDLMGDI-UHFFFAOYSA-N;141.12;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372171;MM372171;COCCC1CC1(C)CN;PCUXXTCBQRDHMN-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372172;MM372172;C=CC#CCCC(C)=NN;KTTQQZDPERNUAR-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372173;MM372173;COCCC1CC1(N)CF;MUHILGGQLSUSPR-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372174;MM372174;C=CC#CCCC(C)=NO;LZJWLIDSELDTON-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372175;MM372175;CCC1(O)CC1CCOC;ZQPOZBUZDCOVRS-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372176;MM372176;CC(CCC#CC#N)=NO;YAHWIJAIOXGPTF-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372177;MM372177;COCCC1CC1(F)CN;VCTWNOLJAUMQCC-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372178;MM372178;C=CC#CCNC(C)=NC;LGNIXTVEFVICFY-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372179;MM372179;COCCC1CC1(F)CO;DPECBGMHTHJZSD-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372180;MM372180;CN=C(C)NCC#CC=O;PBGXSJBTAQTTDK-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372181;MM372181;COCCC1CC1(F)CF;VOFGHLLBMXGFHL-UHFFFAOYSA-N;150.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372182;MM372182;CN=C(C)NCC#CC#N;WSNJRPRJTXHVJS-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372183;MM372183;CCNCC1CC1(C)CC;KINLKHYDIOHLQV-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372184;MM372184;C=CC1CCC(CO)C1;YLNQAFBOSRFDIB-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372185;MM372185;CCNCC1CC1(C)CN;ALTAJDNYKQJODS-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372186;MM372186;C=CC#CCOC(C)=CC;JGFBRBYVHRYREZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372187;MM372187;CCNCC1CC1(C)CO;GMDMZLIUTHEZEQ-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372188;MM372188;CC=C(C)OCC#CC=O;FJCZHWONMMBQRK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372189;MM372189;CCNCC1CC1(C)CF;SSBLYBAOAZWNAZ-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372190;MM372190;CC=C(C)OCC#CC#N;YASYNKLBLBCICY-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372191;MM372191;CCNCC1CC1(F)CC;DSFITGLDOVDVCP-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372192;MM372192;C=CC#CCOC(C)=CF;AMYLNRMGJQCKMQ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372193;MM372193;CCNCC1CC1(F)CO;AEYWDNRFPCGBSQ-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372194;MM372194;O=CC1CCC(CO)C1;DPRSHVKDHISHIX-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372195;MM372195;CCOCC1CC1(C)CC;IILXEXPXEISANP-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372196;MM372196;C=CC#CCOC(C)=NO;QLCJCVYVGXSWKG-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372197;MM372197;CCOCC1CC1(C)CN;ONGFIHYFBANVAC-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372198;MM372198;C#CC#CCCC(C)=CC;HBMQHGHTGJQOKI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372199;MM372199;CCOCC1CC1(C)CO;ZGQHFSASYZYYOE-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372200;MM372200;C#CC#CCCC(C)=CF;CBKGPSFNKOHGJF-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372201;MM372201;CCOCC1CC1(C)CF;FMPYNFOPEGZRRQ-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372202;MM372202;C#CC#CCCC(F)=CC;UUIJKLUGCKFWRT-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372203;MM372203;CCOCC1CC1(N)CC;FJVZVNRKRFIMPI-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372204;MM372204;C#CC#CCCC(F)=CF;SXDYOOGIQKBGJF-UHFFFAOYSA-N;140.13;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372205;MM372205;CCOCC1CC1(N)CN;MNXHGHDZMXMQRP-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372206;MM372206;C#CC#CCCC(C)=NN;CBFHHUKFXZWDFQ-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372207;MM372207;CCOCC1CC1(N)CO;QSXDHCMLFZAZTF-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372208;MM372208;C#CC#CCCC(C)=NO;CZDXAVUXICZRIM-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372209;MM372209;CCOCC1CC1(N)CF;JPCVDMZCEQGLDU-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372210;MM372210;C#CC#CCNC(C)=NC;HRQNTJWJAOPATK-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372211;MM372211;CCOCC1CC1(O)CC;UUYWIXYEFDVTPU-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372212;MM372212;N#CC1=CNC(C=O)C1;QKXNEPKCGKFVQZ-UHFFFAOYSA-N;122.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372213;MM372213;CCOCC1CC1(O)CN;AYIKEKRIHQFRDE-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372214;MM372214;C#CC#CCOC(C)=CC;IUYZRYNPFCFQGR-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372215;MM372215;CCOCC1CC1(F)CC;LHBAXQSUGZAIDI-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372216;MM372216;C#CC#CCOC(C)=CF;CHARGYMCVPCVJM-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372217;MM372217;CCCCC1CC1(C)NC;FOIWPYPDJPQTNW-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372218;MM372218;C#CC1CC(C=O)=NN1;LJAUDDIULCHCLM-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372219;MM372219;CNC1(C)CC1CCOC;ATRUBTDOMSZJOS-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372220;MM372220;C#CC#CCOC(C)=NO;NDPJFKARYLDIPC-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372221;MM372221;CCCCC1CC1(C)OC;YRQSQBBQYSLRGH-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372222;MM372222;CCCC=CCC(C)CC;PRXIOLQNMXGHPF-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372223;MM372223;CCCNC1CC1(C)CC;GJWKYVKAFLGAME-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372224;MM372224;CCCC=CCC(C)CN;IQFQUIFKNAAGOS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372225;MM372225;CCC1(C)CC1NCCN;HIZLVYHLELXFHV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372226;MM372226;CC(CN)CC=CCCN;SEBJYNDRIUFYAB-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372227;MM372227;CCCNC1CC1(C)CN;TWSVEKLNSTUZSR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372228;MM372228;CC(CN)CC=CCCO;DWSHHKCNXJYUOA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372229;MM372229;CC1(CO)CC1NCCO;IXYVVGIQYIIFCU-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372230;MM372230;O=C1CCC2(CF)NC12;PATUYIDGNSTMRY-UHFFFAOYSA-N;129.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372231;MM372231;CCCNC1CC1(C)CF;LSDJOURCVYFBBI-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372232;MM372232;CC(CO)CC=CCCN;VZNYEZQUFKBFKZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372233;MM372233;CC1(CF)CC1NCCO;BGAHDFZFXPHZEZ-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372234;MM372234;CC(CF)CC=CCCN;PBKFLIKXEGSZLZ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372235;MM372235;CCCNC1CC1(N)CC;OVXUVQRYIDDDIO-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372236;MM372236;CCCC=CCC(N)CC;OHKPMTSDDCZQQU-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372237;MM372237;CCC1(N)CC1NCCN;JBNIXMCTKBTRNF-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372238;MM372238;CCC(N)CC=CCCN;YTYBQLUVRBDHTJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372239;MM372239;CCCNC1CC1(N)CN;HCYCNKFYLGCZSG-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372240;MM372240;CCC(N)CC=CCCF;KNFPFRGHMNRZNY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372241;MM372241;NCCNC1CC1(N)CN;OVHJMZXMAAXHMI-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372242;MM372242;CCCC=CCC(N)CN;QMWBECPHBQIRRR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372243;MM372243;NCC1(N)CC1NCCO;GCUZGIWJWOXRGK-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372244;MM372244;NCCC=CCC(N)CN;VWUXWQAXNMZBFR-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372245;MM372245;CCCNC1CC1(N)CO;OSGYUZNUZDKIDY-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372246;MM372246;CCCC=CCC(N)CO;NQYMRPAYIXOQLW-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372247;MM372247;CCCNC1CC1(O)CC;FCMSNQHMZTWNEN-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372248;MM372248;NCCC=CCC(N)CO;RSTRRYMEYZIXIE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372249;MM372249;CCC1(O)CC1NCCN;LHQMLDYZOCPWIM-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372250;MM372250;CCCC=CCC(N)CF;UQQAWPBNRXRTHS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372251;MM372251;CCC1(O)CC1NCCO;LHYOCFHAHZIIKX-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372252;MM372252;NC(CF)CC=CCCF;ZYULGJGSIDMFLU-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372253;MM372253;CCCNC1CC1(O)CN;GHSGMJXZPMXPBB-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372254;MM372254;C=CC1CC1C(C)CO;LNXFVWFWWCJLLS-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372255;MM372255;NCCNC1CC1(O)CN;JSTZGRJYWMDEOB-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372256;MM372256;CCC(O)CC=CCCN;KKLDBROXRITKOY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372257;MM372257;CCCNC1CC1(O)CO;CZHUHODJTMAVIK-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372258;MM372258;CCCC=CCC(O)CN;OJAMKCDFZZQUJT-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372259;MM372259;NCCNC1CC1(O)CO;UDROIICRXKBCQJ-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372260;MM372260;NCCC=CCC(O)CN;DVVSEXSFGITBAL-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372261;MM372261;CCCNC1CC1(F)CC;HYDBCBGAWKPVGS-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372262;MM372262;CCCC=CCC(O)CO;FIGMGKCSXFYHCL-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372263;MM372263;CCCNC1CC1(F)CN;GLMHLLNHFWNPCI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372264;MM372264;OCCC=CCC(O)CO;FHZCYNQGZZZHCK-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372265;MM372265;NCCNC1CC1(F)CN;RDYUOHFWDGQUQL-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372266;MM372266;CCCC=CCC(O)CF;XSJFLDOTSFIKBK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372267;MM372267;NCC1(F)CC1NCCO;OAYAZXAVSYNGNY-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372268;MM372268;CCCC=CCC(F)CC;FSSJIIWNNWRHRS-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372269;MM372269;CCCNC1CC1(C)NC;APXZBVOQHMOJNF-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372270;MM372270;CCC(F)CC=CCCN;CYQFRNLIVJNXDY-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372271;MM372271;CNC1(C)CC1NCCO;NJKGTPCBSAQCLB-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372272;MM372272;CCC(F)CC=CCCO;ZKATYWHKFADZOE-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372273;MM372273;CNC1(C)CC1NCCF;ZYVIALCFXFNRFJ-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372274;MM372274;CCCC=CCC(F)CN;UWRULSAFHQDLNQ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372275;MM372275;CCCNC1CC1(C)OC;NZQDJKFWZBWNKJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372276;MM372276;NCCC=CCC(F)CN;FUWYBOINFBDUSB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372277;MM372277;CCCOC1CC1(C)CC;XACWURFIOAAULE-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372278;MM372278;NCC(F)CC=CCCF;JEDRYGYOXQNPBF-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372279;MM372279;CCC1(C)CC1OCCN;ONKWUUMDPHNSIH-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372280;MM372280;CCCC=CCC(F)CO;BYHMXADNSBPKPW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372281;MM372281;CCCOC1CC1(C)CN;LRPVDYYHTHMXQW-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372282;MM372282;OCC(F)CC=CCCF;YBQAJLQXQYKHGA-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372283;MM372283;CC1(CN)CC1OCCN;WCGZCFWHACLPOF-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372284;MM372284;CCCC=CCC(F)CF;HLVSABFMEYDHMD-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372285;MM372285;CCCOC1CC1(C)CO;HBACRLSIGBDCHI-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372286;MM372286;CCCOC1CC1(C)CF;PYQVYFHRVREOHT-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372287;MM372287;NCCC=CCC(F)CF;ACPMKNXJULAHSD-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372288;MM372288;CCCOC1CC1(N)CC;RRRCXBCJFMNYMN-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372289;MM372289;OCCC=CCC(F)CF;AFEGNDHUHJSBEM-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372290;MM372290;CCCOC1CC1(N)CN;IDAQVEPRRLMSCU-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372291;MM372291;FCCC=CCC(F)CF;WQHWYGUVEPLUBC-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372292;MM372292;NCC1(N)CC1OCCO;XWMRHZZIIKZJAN-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372293;MM372293;CNCC=CCC(C)CN;OVGZMBXCZMTTBP-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372294;MM372294;NCCOC1CC1(N)CO;QYVXFBPZDKMZDH-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372295;MM372295;CNCC=CCC(C)CO;BCYQRGXXQMNZMX-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372296;MM372296;NCCOC1CC1(N)CF;OSCDSNLCXWQVAG-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372297;MM372297;CNCC=CCC(C)CF;XNRJIRKMZSHKPA-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372298;MM372298;CCCOC1CC1(O)CC;QJQNYQWEGZCTDV-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372299;MM372299;CCC(N)CC=CCNC;DTSMTCKCFYEPKC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372300;MM372300;CCC1(O)CC1OCCN;ZDEADWJBILRUDW-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372301;MM372301;CNCC=CCC(N)CN;JIHJNWOSQBQUFQ-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372302;MM372302;CCC1(O)CC1OCCO;OZWHBHYNKYXQAV-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372303;MM372303;CNCC=CCC(N)CF;QNMHCWAGEOJUJD-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372304;MM372304;CCCOC1CC1(O)CN;CKMNBAHXDVBHRI-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372305;MM372305;CCC(O)CC=CCNC;WBULWDRVQNGBKA-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372306;MM372306;NCCOC1CC1(O)CN;GJEYSSAWDYWZRK-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372307;MM372307;CNCC=CCC(O)CN;JHZRGLQAUFIRSY-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372308;MM372308;NCC1(O)CC1OCCO;ADIIDVPZKFCSFC-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372309;MM372309;CNCC=CCC(O)CO;YEJGDPAVRSSCSS-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372310;MM372310;CCCOC1CC1(O)CO;YBJNTVCVSQMKHW-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372311;MM372311;CCC(F)CC=CCNC;ULGFJRNKOCBKDE-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372312;MM372312;CCCOC1CC1(O)CF;ONERALXKHNGJBA-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372313;MM372313;CNCC=CCC(F)CF;UCRJZLUKXYQVMG-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372314;MM372314;NCCOC1CC1(O)CF;IMYYKUXDARZOTO-UHFFFAOYSA-N;149.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372315;MM372315;COCC=CCC(O)CN;SAIIJNVBJNRVRD-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372316;MM372316;CCCOC1CC1(F)CC;LJFKRUZSXUUJTL-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372317;MM372317;CCOC=CCC(C)CC;PQWOEHIPTDSSHJ-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372318;MM372318;CCC1(F)CC1OCCN;GDFVCDZAJGDNAZ-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372319;MM372319;CCOC=CCC(C)CN;DEIQHCJGGUMLFT-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372320;MM372320;CCC1(F)CC1OCCO;APTSWERHVMHEAR-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372321;MM372321;CC(CO)C1CC1C=O;BVPWIPULSMCVBA-UHFFFAOYSA-N;128.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372322;MM372322;NCCOC1CC1(F)CN;QBFALFLDFZLPMV-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372323;MM372323;CCOC=CCC(C)CF;MZSSKDSMGXKEDX-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372324;MM372324;OCCOC1CC1(F)CO;YACHVHGOTRZDMK-UHFFFAOYSA-N;150.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372325;MM372325;CCOC=CCC(N)CC;ADVXWVFCACVAII-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372326;MM372326;CCCOC1CC1(F)CF;ZQIFRORTSZRNSC-UHFFFAOYSA-N;150.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372327;MM372327;CCOC=CCC(O)CF;BGKQEBZYZNUZKT-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372328;MM372328;COCOC1CC1(C)CO;ULRIPMBAOXXNCZ-UHFFFAOYSA-N;146.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372329;MM372329;CCOC=CCC(F)CN;OFQNRPQUQHJZBK-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372330;MM372330;COCOC1CC1(C)CF;SHWMUIMLVZNBOR-UHFFFAOYSA-N;148.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372331;MM372331;CNC(C)CC=CCCF;IHRLVQKLKQLISV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372332;MM372332;CCC1(N)CC1OCOC;FBAMCWPZPPJPBZ-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372333;MM372333;CNCC=CCC(C)NC;UXBKXKYZSSLXDM-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372334;MM372334;CCC1(F)CC1OCOC;BDOYJLYHEYTMGX-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372335;MM372335;CCOC=CCC(C)NC;YGDGPFKAVOTMNG-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372336;MM372336;CCCOC1CC1(C)NC;FQZLREUGAOIRRI-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372337;MM372337;CCCC=CCC(C)OC;SETKAEYRSUTBAO-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372338;MM372338;CCCOC1CC1(C)OC;IFSSNTNSROEWOA-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372339;MM372339;COC(C)CC=CCCN;YJKDMYBGUYRRHA-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372340;MM372340;COC1(C)CC1OCCN;SNZDCKCLUCRVBX-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372341;MM372341;CNCC=CCC(C)OC;ADMIGELCNPTLEW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372342;MM372342;COC1(C)CC1OCCO;AMGARHUABDZYHO-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372343;MM372343;CCNN=CCC(C)CN;XHROBDDIPSMVAH-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372344;MM372344;CCC1(C)NC1CCCN;HAAGMUNNVHRZSQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372345;MM372345;C#CCCC1C(C)C1O;KUQYFFPWPNIXFP-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372346;MM372346;CCCCC1NC1(C)CN;IEMYDUXFOUSAPX-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372347;MM372347;CCNN=CCC(N)CC;OUPFTGVREFKOGH-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372348;MM372348;CC1(CO)NC1CCCN;MHKRCHGLWXLEQG-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372349;MM372349;CON=CCCCC=O;NAJMJQYQWHOEDN-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372350;MM372350;CCCCC1NC1(C)CF;JXBXHNNFNJWCST-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372351;MM372351;CCNN=CCC(F)CF;GRDISDYHTNWLTL-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372352;MM372352;CC1(CF)NC1CCCN;YUNVIYHWRMWTLJ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372353;MM372353;CCON=CCC(C)CN;SLXQSSPTCONVBN-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372354;MM372354;CC1C=CC(CO)C1C;ZIMCDQLYDIVOCB-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372355;MM372355;CON=CNNCC=O;RVDXVHBDFVWATL-UHFFFAOYSA-N;131.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372356;MM372356;CCNCC1NC1(C)CC;YMRAZVASQFZVSM-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372357;MM372357;CCON=CCC(N)CC;TWBWYDCECWAGOP-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372358;MM372358;CC1=C(C)C(CO)CC1;RCHXOTUIZDTBQL-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372359;MM372359;CCON=CCC(N)CN;ZMCQCSZXUNKUMS-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372360;MM372360;CCOCC1NC1(C)CF;GHNSNZNXAUIRIU-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372361;MM372361;CCON=CCC(N)CO;DCNWKHAUETUIKB-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372362;MM372362;CCCCC1OC1(C)CC;ZPVJFWWABCWHNT-UHFFFAOYSA-N;142.24;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372363;MM372363;CCON=CCC(N)CF;IEISZCDPWQVOTA-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372364;MM372364;CCC1(C)OC1CCCN;AYITUKLDUMWWMC-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372365;MM372365;CC(CCC=O)C(C)(C)O;MXUMPUGZEIXWFW-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372366;MM372366;CCC1(C)OC1CCCO;QHPFDQLWAZHQSE-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372367;MM372367;CCON=CCC(O)CN;ASPKMKPQDUJLIW-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372368;MM372368;CCCCC1OC1(C)CN;VMVLCGUZEFSJNY-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372369;MM372369;CCON=CCC(F)CC;VTZHSILTUCTWFM-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372370;MM372370;CCCCC1OC1(C)CO;XQEOPHYAGWLCLB-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372371;MM372371;CCON=CCC(F)CF;OMUAOHBKHCFPME-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372372;MM372372;CC1(CO)OC1CCCN;RQMINHBXOKQWKA-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372373;MM372373;CCNN=CCC(C)NC;GWCMIRCNNKODJV-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372374;MM372374;CC1(CO)OC1CCCO;XWXXTJZRGSPEFR-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372375;MM372375;CCON=CCC(C)NC;DRPXUXCUQPBNII-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372376;MM372376;CCCCC1OC1(C)CF;YLSUQNMADKRBBC-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372377;MM372377;CCNN=CCC(C)OC;JAUXQPKHTQGGKA-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372378;MM372378;CCC1(C)OC1CCNC;YOSNTTMEUGEKSJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372379;MM372379;CCON=CCC(C)OC;AVXXFILMLKTGLR-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372380;MM372380;CNCCC1OC1(C)CN;GFCMHZNULCRBOZ-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372381;MM372381;CCCN=CNC(C)CF;CHEWWEPURKLTHA-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372382;MM372382;CNCCC1OC1(C)CO;FWYWWEWAUIQWTL-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372383;MM372383;CC(CF)N=CNCCN;AWLSRBYBUKPEEM-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372384;MM372384;CNCCC1OC1(C)CF;UFWIXHYBULRTLZ-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372385;MM372385;CC(CF)N=CNCCF;IEDKXGNEZYCAKH-UHFFFAOYSA-N;150.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372386;MM372386;CCNCC1OC1(C)CC;GJSKXYBLEAPJRG-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372387;MM372387;CCON=CNC(C)CC;CNZSTCYPHLUDPI-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372388;MM372388;CCNCC1OC1(C)CN;KIMMSKLIRGLDDT-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372389;MM372389;C=CCC=CC(C)(O)C=C;XSAKRYJSPIXOJY-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372390;MM372390;CCOCC1OC1(C)CN;ZGQMFNYZFKILTI-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372391;MM372391;CCC(C)NN=CCCF;GXYNMKMSHVGQPV-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372392;MM372392;CCCCN1CC1(C)CN;PSNDJFABQQYZPQ-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372393;MM372393;CCCC=NNC(C)CN;PEZFNLDNGLIRNB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372394;MM372394;CC1(CN)CN1CCCN;GZGXMCXAYNHYHO-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372395;MM372395;CC(CN)NN=CCCF;HCIRBBMVXVJPIC-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372396;MM372396;CC1(CN)CN1CCCO;IYXNMIRWIKLZLZ-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372397;MM372397;CCCC=NNC(C)CF;ULWTVZHQYJZYEL-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372398;MM372398;C=Nn1nnc(N)c1N;RWBFEAILQVVTAG-UHFFFAOYSA-N;126.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372399;MM372399;CCC(C)NN=CCOC;RKNHOFWWSSVBGJ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372400;MM372400;CNCCN1CC1(C)CF;RARVNMJEVXRITN-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372401;MM372401;CCCC=COC(C)CN;HDRFPMBHCJAGIM-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372402;MM372402;CCC1(C)CC1CCC#N;YOIIIYHGYWVXBR-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372403;MM372403;CC(CN)OC=CCCN;GTEGWBXAJAUDGZ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372404;MM372404;CC(O)C1CC1CC=O;JFTMCMYEYOSZDN-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372405;MM372405;CC(CO)OC=CCCN;TVFASBXSCWUUNZ-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372406;MM372406;O=CCNN(C=O)C=O;KVFULTRXAQYYOF-UHFFFAOYSA-N;130.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372407;MM372407;CCOC=COC(C)CN;GSOOICPUVVYBRR-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372408;MM372408;CC=CCC(CC)CO;UYBHMVMLMUZBSU-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372409;MM372409;CCOC=COC(C)CO;ZAWFAMUCLBLXLD-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372410;MM372410;C=CCCC1CC1(C)CF;VUEXBLAHNJGOOD-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372411;MM372411;COC(C)OC=CCCO;DWZYYLUYDMFKQJ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372412;MM372412;CC1(CF)CC1CCC#N;NPOZSUNUUQNOMG-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372413;MM372413;COCC=COC(C)OC;RNZDHMYSBANCQA-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372414;MM372414;C=CCCC1CC1(N)CC;BUDJWSSNHNYILE-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372415;MM372415;CCOC=COC(C)OC;YOLQPYBNFSTONJ-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372416;MM372416;C=CCCC1CC1(N)CN;AOBXQBCTRHFEKW-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372417;MM372417;C=CC(C)(O)C=CCC=O;HKAZMRISNWXGAE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372418;MM372418;C=CCCC1CC1(N)CO;JOVBQXBFELKURC-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372419;MM372419;CCON=COC(C)CF;YRXKWAZOLBIOCN-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372420;MM372420;C=CCCC1CC1(N)CF;IERRHACDKJALDP-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372421;MM372421;C=C(CC(C)C)C1(O)CC1;AYDSMYRTDBWYBW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372422;MM372422;CC=NN=C(CF)NN;LGOXHFAOHRLEKR-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372423;MM372423;CCCC=NOC(C)CF;SJWLEMZKPKJQRQ-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372424;MM372424;C#CC1(C(O)C=C)CC1;LOHUBRKCGHWZIG-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372425;MM372425;COCC=NOC(C)OC;IULUGJIBGPEMLF-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372426;MM372426;C=CCCC1CC1(O)CN;JNFMRIVMBIOBTN-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372427;MM372427;CCOC=NOC(C)OC;OPGAUDOPYGEKMX-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372428;MM372428;C=CCCC1CC1(O)CO;RCUHDIXNNLJFQB-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372429;MM372429;CCN(C)CC=CCNC;YCWIRTXTWOSAGL-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372430;MM372430;N#CCCC1CC1(O)CO;YXZNJHDBDUCBET-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372431;MM372431;CCOC=CCN(C)CC;PNHLVUHJIJBGDI-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372432;MM372432;C=CCCC1CC1(O)CF;BZKFJOQAUHLDHO-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372433;MM372433;CCCN=CNN(C)CC;YWBVRQAFWLSNFG-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372434;MM372434;N#CCCC1CC1(O)CF;SJOZJIBASGSBHO-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372435;MM372435;C=CCC=CCC(C)CC;ITLKDDTXALUWJF-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372436;MM372436;C=CCCC1CC1(F)CC;RIZJJCQHRAJYNE-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372437;MM372437;CCC(C)CC=CCC=O;XXEKULSNLCZVFO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372438;MM372438;CCC1(F)CC1CCC#N;UXOOPBLESNUFPQ-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372439;MM372439;CCC(C)CC=CCC#N;CBGYWOUWAFZBPM-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372440;MM372440;C=CCCC1CC1(F)CN;XDFPLPISJUVDAT-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372441;MM372441;C=CCC=CCC(C)CN;HWNNZCUZQYOAAX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372442;MM372442;CC=NNCC(C)CC=O;HOMPZKRAIUOMCS-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372443;MM372443;O=CCCC1CC1(F)CO;GLBZBKLQCGCXQI-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372444;MM372444;CC(O)C(C)CC#CC#N;LOIKEIQHLJUFSS-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372445;MM372445;N#CCCC1CC1(F)CO;HROHLRRPKVMQNQ-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372446;MM372446;C=CCC=CCC(N)CC;HEESQBPYDCSZPD-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372447;MM372447;N#CCCC1CC1(F)CF;RKGASGGMMFQYNC-UHFFFAOYSA-N;145.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372448;MM372448;C=CCC=CCC(N)CN;KJBGHHMLDODFLW-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372449;MM372449;CCC1(C)CC1CNC=N;SGHYIYCDCAFAPM-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372450;MM372450;C=CCC=CCC(N)CO;IWZUWKTVSCPKIJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372451;MM372451;COC1=NC(CF)CN1;IPNQQQBNHWWQQW-UHFFFAOYSA-N;132.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372452;MM372452;C=CCC=CCC(N)CF;IJGUDBGMIQISOS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372453;MM372453;CC1(CO)CC1CNC=N;NJAWNICUGJUZGH-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372454;MM372454;C=C(CCC)C(=C)C(C)O;KEQWZQPPGFXKDK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372455;MM372455;CC1(CF)CC1CNC=N;WIUGSVCRVKKIRI-UHFFFAOYSA-N;144.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372456;MM372456;C=C(C(C)=CCC)C(C)O;UYZVTZCWBBQMNL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372457;MM372457;N=CNCC1CC1(N)CN;JZURPNZLPRDJJQ-UHFFFAOYSA-N;142.21;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372458;MM372458;C=CCC=CCC(O)CN;ILWJLAIGSOELCE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372459;MM372459;NCC1(N)CC1CNC=O;FCXDUEFYHHBQFY-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372460;MM372460;C=CCC=CCC(O)CO;PIJYLQDAPKZLDG-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372461;MM372461;N=CNCC1CC1(N)CO;RKUMRFAMVJNTNX-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372462;MM372462;O=CCC=CCC(O)CF;VLXUWBMYMPXUAC-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372463;MM372463;N=CNCC1CC1(N)CF;GXAYOPPWBUHIRR-UHFFFAOYSA-N;145.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372464;MM372464;CCC(F)CC=CCC=O;QNGOZMVYPQXHAU-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372465;MM372465;CCC1(O)CC1CNC=N;LKTGLEFJKCVJJJ-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372466;MM372466;C=CCC=CCC(F)CN;MKHIKMUINWACHK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372467;MM372467;CCC1(O)CC1CNC=O;IPNFAVVKVIAUTO-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372468;MM372468;CCC(C)CC=CNC=N;NNIUOMWKMBPARP-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372469;MM372469;N=CNCC1CC1(O)CN;OXXWJNBTZDXDSN-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372470;MM372470;CC(CN)CC=CNC=O;UWCFLDUQAQICAB-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372471;MM372471;NCC1(O)CC1CNC=O;YFMRTHMMEWWTDF-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372472;MM372472;NC(CF)CC=CNC=O;VSGNHSYUONHBAJ-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372473;MM372473;N=CNCC1CC1(O)CO;IZEMBDLHVJLGHO-UHFFFAOYSA-N;144.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372474;MM372474;CCC(F)CC=CNC=N;MXFSQJROEZHASE-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372475;MM372475;O=CNCC1CC1(O)CO;DYHCPXOAJCJCCZ-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372476;MM372476;NCC(F)CC=CNC=O;KWNCQIBJGSKKLZ-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372477;MM372477;N=CNCC1CC1(O)CF;GETCOWZNXKJNHS-UHFFFAOYSA-N;146.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372478;MM372478;CC(CN)CC=COC=O;ZZMSMFILRRHLOS-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372479;MM372479;CCC1(F)CC1CNC=N;KSZKJLUOIMBZCR-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372480;MM372480;NN=CC(OC=O)C(F)F;UULUOJRRMVHRKO-UHFFFAOYSA-N;152.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372481;MM372481;C=Cn1cc(NC)nn1;PQTWPRYSBNZCLJ-UHFFFAOYSA-N;124.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372482;MM372482;CCCC1=CC2(O)CC1C2;TZHIOZPHXAAXQQ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372483;MM372483;N=CNCC1CC1(F)CN;WNJIGZWGPNWERG-UHFFFAOYSA-N;145.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372484;MM372484;CC(CF)CC=COC=O;NHQOKACHTNMVHA-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372485;MM372485;NCC1(F)CC1CNC=O;GUSGAWMILNUREK-UHFFFAOYSA-N;146.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372486;MM372486;C=COC=CCC(N)CN;LQGWFNPDLBWTMS-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372487;MM372487;N=CNCC1CC1(F)CO;PSYYROLUPADXNW-UHFFFAOYSA-N;146.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372488;MM372488;NCC(N)CC=COC=O;MSZZKNFGFOEYPP-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372489;MM372489;O=CNCC1CC1(F)CO;IVXONMHADZWCFO-UHFFFAOYSA-N;147.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372490;MM372490;C=COC=CCC(N)CF;HQCUIIAFHFZDKA-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372491;MM372491;C=NNCC1CC1(N)CN;PQCZFUOCSKJPCS-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372492;MM372492;CCC(O)CC=COC=O;HEMVXFSVPMGAGK-UHFFFAOYSA-N;144.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372493;MM372493;C=NNCC1CC1(N)CF;DSZLOTQCNCMJFD-UHFFFAOYSA-N;145.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372494;MM372494;C=COC=CCC(O)CF;KVYXVBNKYFQNSD-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372495;MM372495;C=NNCC1CC1(O)CN;AYSVSYGNWDCYFC-UHFFFAOYSA-N;143.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372496;MM372496;C=COC=CCC(F)CO;PKYBSSNVWMOQSE-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372497;MM372497;CC(C=O)CCN1CC1;LKBUFSZKTJXZID-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372498;MM372498;O=COC=CCC(F)CF;FVPZOLMIXUFOET-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372499;MM372499;C=CCC=CCC(C)NC;PKOAEJYOYGCGHU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372500;MM372500;CC#CCNN=CC=O;KZGYJVQTPIBRMY-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372501;MM372501;CNC(C)CC=CCC#N;XSGHYZGPETWVDP-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372502;MM372502;C=NNCC1CC1(F)CC;PWMKLVLQLPQORI-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372503;MM372503;CNC(C)CC=CNC=N;AOCLKENXLQHYIW-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372504;MM372504;C=NNCC1CC1(F)CN;NFQOXOXTUAPGMN-UHFFFAOYSA-N;145.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372505;MM372505;COC(C)CC=CCC#N;CAQYDYCKGNHNKZ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372506;MM372506;CC1CC1C1C(C)C1O;VPFMWTXABWSBJI-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372507;MM372507;C=COC=CCC(C)OC;UHJLOIQANARWET-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372508;MM372508;CCC1(C)CC1COC=O;NARXFKGHJZFBKB-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372509;MM372509;CC(CN)CC=NNC=O;LIAGWRNGNNTARU-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372510;MM372510;C=COCC1CC1(C)CO;QFYLRAAFTHKHQF-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372511;MM372511;N=CNN=CCC(N)CO;SOAAQDIOEFNIGP-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372512;MM372512;C=COCC1CC1(C)CF;LSBWWJAWJGOUTH-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372513;MM372513;NC(CO)CC=NNC=O;ISEBVXGPZULYJX-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372514;MM372514;C=COCC1CC1(N)CN;TWVCSAUFQRKDES-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372515;MM372515;N=CNN=CCC(O)CN;CEWPLDCRXRVMHW-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372516;MM372516;C=COCC1CC1(N)CF;NTNCFXIDYLBBDP-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372517;MM372517;C=CC(C=C)(C=C)CCO;ZHGQMTYAZWEIKQ-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372518;MM372518;C=COCC1CC1(O)CN;LNQHWUDMZBCFAI-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372519;MM372519;CCC(N)CC=NOC=O;QMJZKJJTYWSNTD-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372520;MM372520;O=COCC1CC1(O)CO;GONINVRNQXYVSU-UHFFFAOYSA-N;146.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372521;MM372521;NC(CO)CC=NOC=O;MLSLZFFOHWKMLY-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372522;MM372522;NCC1(F)CC1COC=O;HVBQQNDDLCJXGE-UHFFFAOYSA-N;147.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372523;MM372523;C#CC1(C)CC(C=O)N1C;IWRMOHHSKZDWID-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372524;MM372524;C=NOCC1CC1(C)CC;SKJZMXQIGWLJFE-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372525;MM372525;NCC(O)CC=NOC=O;PAVRGVHMPKPWCS-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372526;MM372526;C=C(C=CC(C)(C)O)CC;UVKXHFRNZZORNW-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372527;MM372527;C#CC(=C)C1CC1(O)C=C;CZPBDWFSHVYIGJ-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372528;MM372528;C=NOCC1CC1(C)CF;SQTNGLVFHRZTAM-UHFFFAOYSA-N;145.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372529;MM372529;CC1(CO)C=CC(C#N)=C1;WGIKNOLIKZBVFD-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372530;MM372530;C=NOCC1CC1(N)CN;LAOJOTBBWYIOCH-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372531;MM372531;CNC(C)CC=NNC=N;DAXDAUPWFLXOJF-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372532;MM372532;C=NOCC1CC1(N)CF;YQBRXDVXOAEADJ-UHFFFAOYSA-N;146.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372533;MM372533;CNC(C)CC=NOC=O;TTYAPOBRMURMDX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372534;MM372534;C=NOCC1CC1(F)CC;OULZLUTYLONHHL-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372535;MM372535;COC(C)CC=NNC=O;JUKWHURZXZWABD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372536;MM372536;C=NOCC1CC1(F)CN;NKEZGVFZVRBQDS-UHFFFAOYSA-N;146.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372537;MM372537;C=CNC=NCC(C)CC;ZPKMGGKVGSWVLL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372538;MM372538;C=C(C=CC(C)(C)O)CF;QDMIOMRFFGLCKI-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372539;MM372539;C=CNC=NCC(C)CF;BPZQLWHDJUCIKF-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372540;MM372540;C=CCCC1CC1(C)NC;IKRSPAOBXXACCA-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372541;MM372541;C=CN=CNCC(O)CO;NMJJOSLIDOZLRS-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372542;MM372542;CNC1(C)CC1CCC=O;LEWZOCGHOHSVFU-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372543;MM372543;C=CNC=NCC(C)NC;PSVGZXCKFPRYJV-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372544;MM372544;CNC1(C)CC1CCC#N;ZNUIJUDZUCWTKN-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372545;MM372545;C=CCNC=NC(C)CC;IGGIYKNADDFNSK-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372546;MM372546;CNC1(C)CC1CNC=N;VRUNHZWIVRAGJB-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372547;MM372547;CCC(C)N=CNCC#N;VVABSZXZOZUJTR-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372548;MM372548;C=COCC1CC1(C)NC;LSSFQZHUXZWARO-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372549;MM372549;C=CCNC=NC(C)CO;RJIWHDHDKQWUGW-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372550;MM372550;COC1(C)CC1CCC#N;QHSCALMPOFWRNX-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372551;MM372551;CC(CO)N=CNNC=N;ZBKMTTONFMQDRL-UHFFFAOYSA-N;144.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372552;MM372552;C=NNCC1CC1(C)OC;BNQXJKFFNUDVAZ-UHFFFAOYSA-N;142.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372553;MM372553;C=CCC=NNC(C)CC;AOWHIBWXXPSGIQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372554;MM372554;C=NOCC1CC1(C)OC;FTYUNISLHTVPPF-UHFFFAOYSA-N;143.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372555;MM372555;C=CC(CO)CC(C)C=O;SCKIUIDKEBAFLA-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372556;MM372556;CCC1(C)CC1NCC#N;QIMQNNHKNLNLAE-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372557;MM372557;C=CC(C)=CC(CC)CO;QLEYKXCOBWPHHH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372558;MM372558;C=CCC=NNC(C)CN;WMZQGBAVDBAADS-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372559;MM372559;C=CCNC1CC1(C)CN;WZSJKJVOZPIPJU-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372560;MM372560;CCC(C=C(C)C=O)CO;WAFGDXDZUJKXSH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372561;MM372561;C=CCNC1CC1(C)CO;RHJTUUBRJJBTDP-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372562;MM372562;C=CC(C)=C(C)C(C)CO;QOKQONLJOCGODX-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372563;MM372563;CC=C(C)C=CC(C)(C)O;UGSGIYKZTOWASY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372564;MM372564;C=CNC=NNC(C)CC;PZIKXDDSAZQYTK-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372565;MM372565;C=CCNC1CC1(C)CF;RRRBKERIRGFHQM-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372566;MM372566;C=CCC=COC(C)CO;DOZRUYLIEDERHA-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372567;MM372567;C=CCNC1CC1(N)CC;FMFSSYLZJXPISH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372568;MM372568;CCC(C)OC=CNC=N;TZZRKQFSWFAIJZ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372569;MM372569;C=CCNC1CC1(N)CN;RRWQSIMBAFUVLZ-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372570;MM372570;CC(CN)OC=CNC=N;LCRQGQUTRAOUSL-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372571;MM372571;C=CCNC1CC1(N)CO;CYUQYOXAJFWLRV-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372572;MM372572;CC(CO)OC=CNC=N;IVAABGIUSJXKDG-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372573;MM372573;C=CCNC1CC1(O)CC;FQNKLMDGGWTXNO-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372574;MM372574;C=COC=COC(C)CC;RMYLRHHBKJXSKI-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372575;MM372575;CC(C=CC(C)(C)O)=CF;XRSZEXOKNBEJBT-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372576;MM372576;C=COC=COC(C)CN;SNWFYUYACZISLR-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372577;MM372577;C=CCNC1CC1(O)CN;IMRISIXEIVPSKH-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372578;MM372578;C=COC=COC(C)CO;WPXHMZVWBPPYFW-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372579;MM372579;C#CC1(C)CC(C)(CO)C1;KZKGXONDTXOICN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372580;MM372580;C=CCC=COC(C)OC;DQLSEOHYDSKUPD-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372581;MM372581;C=CCNC1CC1(O)CF;KRSTVWVVLHASLR-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372582;MM372582;C=COC=COC(C)OC;HYRQIGHEGDXWDX-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372583;MM372583;CC(C)(C)CCC1(O)CC1;ZYOASTUMIGUMEY-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372584;MM372584;CC(C=O)=C(C)C(C)CO;FDQXEMDVFVUPBT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372585;MM372585;CCC1(F)CC1NCC#N;AGUZETDSXUPOJR-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372586;MM372586;CCC(C)OC=NNC=O;USKLCLKPERXXMZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372587;MM372587;C=CCNC1CC1(F)CN;XYYYAEVADIIOSU-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372588;MM372588;CC(CN)OC=NNC=N;GHIHHNSPFPOHJA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372589;MM372589;C=C(CCC=O)C(C)(C)O;IKNZPYQOMLVEJL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372590;MM372590;CC(CN)OC=NNC=O;SDSRRYARASPRJE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372591;MM372591;C=CCC#CCC(C)(C)O;NJNJITRUDLEYDI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372592;MM372592;CCC(O)CCC#CC#N;QCXLRUOTWXFWNT-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372593;MM372593;CC(O)CCC=CC(F)F;CSEGOJNASFVHBJ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372594;MM372594;CC(CO)OC=NOC=O;DWGFCSVJPVEUJO-UHFFFAOYSA-N;147.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372595;MM372595;CC1(CN)CC1NNC=N;TXZBWTQUBUJWPM-UHFFFAOYSA-N;142.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372596;MM372596;C=CCC=NOC(C)CC;NLJBNWJHQFTQGK-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372597;MM372597;CC1(CO)CC1NNC=N;KICYCEYXYLHONE-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372598;MM372598;C=NOC(C#N)OCC=O;PQAYMTLOCVCFCL-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372599;MM372599;CCC1(O)CC1NNC=N;MGBANMAPVANORV-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372600;MM372600;C=COC=NOC(C)CC;BWKBRMYITZXDTJ-UHFFFAOYSA-N;143.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372601;MM372601;C=CC(O)CC(C)C(=C)C;LWOOVUUZJQITIL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372602;MM372602;C=CNC=NOC(C)OC;ILBYTDXCFJXIAR-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372603;MM372603;CCC1(F)CC1NNC=N;AKJBSBHPTREKTJ-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372604;MM372604;C=COC=NOC(C)OC;YHIGSJLCTOXEGN-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372605;MM372605;C=CCNC1CC1(C)NC;KDCQBUNXOBICAR-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372606;MM372606;C=NOC=NOC(C)OC;PWXDTHAKAALNEY-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372607;MM372607;CNC1(C)CC1NCC#N;XRXXDTKPZQPEBE-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372608;MM372608;CCN(C)CC=CNC=N;SWECCSWQWJLGMG-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372609;MM372609;C=CCNC1CC1(C)OC;LZWGUBCDBUPJCP-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372610;MM372610;C=COC=CCN(C)CC;AZOWPKNLSGQNPL-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372611;MM372611;COC1(C)CC1NCC#N;INCKCNRNPBGMOH-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372612;MM372612;CCN(C)N=CNNC=N;YYAZYRSJWFFMMP-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372613;MM372613;CCC1(C)CC1OCC#N;BZJJIHIRHOKAFI-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372614;MM372614;C#CCC=CCC(N)CC;GSUSPEJLWJGSCP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372615;MM372615;C=CCOC1CC1(C)CN;GGIYEDVTYIHIPX-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372616;MM372616;C#CCC=CCC(N)CN;WESIVEJLKVQNCE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372617;MM372617;CC1(CO)CC1OCC#N;CJMSYNQOMXZMDU-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372618;MM372618;C#CCC=CCC(N)CO;LZGJASLTDBUBHW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372619;MM372619;CC1(CF)CC1OCC#N;ZRHAVAXQCQXTAN-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372620;MM372620;CC=NNC(C#N)=NNC;XCHWTCHXEDKHFE-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372621;MM372621;C=CCOC1CC1(N)CN;LCIJDLUNLOUWJS-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372622;MM372622;C#CCC=CCC(O)CN;SKWLKYSYWIKWSU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372623;MM372623;C=CCOC1CC1(N)CO;AXIZWXMPVNAJND-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372624;MM372624;C#CCC=CCC(O)CF;SWRNTZHDOKIZLM-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372625;MM372625;C=CCOC1CC1(O)CC;PIJHOAPOZJLGLH-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372626;MM372626;C#CCC=CCC(F)CC;SRPNORQFTBTUCZ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372627;MM372627;C=CCOC1CC1(O)CN;AXVHLPIECFSSGV-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372628;MM372628;C#CCC=CCC(C)NC;LWCKFUNKGLNTQH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372629;MM372629;N#CCOC1CC1(O)CO;MVWHZKMHPQRDTL-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372630;MM372630;C#CCNC=NC(C)CN;WXGZEMFCWOXJOI-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372631;MM372631;C=CCOC1CC1(F)CC;OTABEFUHPFYLAN-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372632;MM372632;CCC(C=O)ON=COC;QKIAVHJTFMOXHE-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372633;MM372633;CCC1(F)CC1OCC=O;FXJMGJUOSFMWTP-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372634;MM372634;C#CCC=COC(C)CO;QCODHDZVKOKEFH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372635;MM372635;CCC1(F)CC1OCC#N;TXDJJLAUYXSTBK-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372636;MM372636;C#CCC=COC(C)OC;MTSINQAQIYNHPH-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372637;MM372637;C=CC(C)CC=CCCC;YBRWWJFYMTYKHH-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372638;MM372638;N#CCOC1CC1(F)CO;YSRNGMZPULTEGR-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372639;MM372639;C=CC(C)CC=CCCN;AWYFMDCYKOMUMX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372640;MM372640;C=CCOC1CC1(F)CF;FSIVPKYTJMWFSP-UHFFFAOYSA-N;148.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372641;MM372641;CCCC=CCC(C)C=O;ODYUKYFFMKUDAX-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372642;MM372642;CC1(CO)CC1ONC=N;CFYKPUREDWMPJT-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372643;MM372643;CCCC=CCC(C)C#N;FHKFBRPJJOAKQR-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372644;MM372644;CCC1(O)CC1ONC=N;ZRAZQOPEEPKGHB-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372645;MM372645;CC(C=O)CC=CCCO;NEFJHEIKJBOUFT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372646;MM372646;COC1(C)CC1OCC=O;YFVPOEMZEHOLEM-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372647;MM372647;CC(C=O)CC=CCCF;VFPCQZGDVZWMEJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372648;MM372648;C=CCCC1NC1(C)CF;WDAJUMDNDJNOIW-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372649;MM372649;CC(C#N)CC=CCCF;NXZJOGONJBODFJ-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372650;MM372650;CC1(CF)NC1CCC#N;QUFSIAHVFFOWNF-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372651;MM372651;C=CC(N)CC=CCCC;JVRJUPJMRBOWOH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372652;MM372652;CC1(CN)NC1CNC=N;BWYMDMKICOWCMZ-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372653;MM372653;C=CC(N)CC=CCCO;DAAXYROWHRZIOZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372654;MM372654;CC1(CO)NC1CNC=N;MMLGTDMEKSPZSZ-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372655;MM372655;C=CC(N)CC=CCCF;PRPNGHCCOXYKEN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372656;MM372656;CC1(CF)NC1CNC=N;QHYDTPAKCJJXLN-UHFFFAOYSA-N;145.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372657;MM372657;CC=CC1CCC(CO)C1;QESXPWUZMHQXFF-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372658;MM372658;C=NNCC1NC1(C)CN;PKMXYXWNVWZBTB-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372659;MM372659;C=CC(O)CC=CCCN;RYLVIKNNERODHQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372660;MM372660;C=NNCC1NC1(C)CF;FEHCAMQZEBENGV-UHFFFAOYSA-N;145.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372661;MM372661;CC#CC1CC(C=O)=NN1;ZVYPGJYBKUIGFM-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372662;MM372662;C=COCC1NC1(C)CN;YMJKCWTYHIAVTQ-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372663;MM372663;CCCC=CCC(O)C=O;VYAYWMMVKVEYRJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372664;MM372664;C=COCC1NC1(C)CF;BVFCDTXEQIGONC-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372665;MM372665;CCCC=CCC(O)C#N;CDWKSWSSEZUTIZ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372666;MM372666;C=CCCC1OC1(C)CC;PGGOOSDTWNYCCG-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372667;MM372667;O=CC(O)CC=CCCF;SMVJHTWFPZPNDJ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372668;MM372668;CCC1(C)OC1CCC#N;ZVUBXIJIWUAHPD-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372669;MM372669;N#CC(O)CC=CCCF;NRQTWTSEOQBBRS-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372670;MM372670;C=CCCC1OC1(C)CN;VXORMDGHZAMUGV-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372671;MM372671;C=CC(F)CC=CCCC;ZNYRHTGQMRKWLK-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372672;MM372672;C=CCCC1OC1(C)CO;PRYJRZJYJHDSOD-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372673;MM372673;C=CC(F)CC=CCCN;WOIDWFDHOOTCQY-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372674;MM372674;CC1(CO)OC1CCC#N;XOQJNSNKFOKYFA-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372675;MM372675;C=CC(F)CC=CCCO;XUJYCUIJMAYCKK-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372676;MM372676;CCCC=CCC(F)C=O;OIOALWYCUQRUEG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372677;MM372677;CC1(CF)OC1CCC#N;VLBBRHVMCPWTQD-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372678;MM372678;CCCC=CCC(F)C#N;KPTGCFIFILGWLC-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372679;MM372679;CCC1(C)OC1CNC=N;IWEHRSOOTLPISQ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372680;MM372680;N#CC(F)CC=CCCO;UOCUSDUSBJTAME-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372681;MM372681;CC1(CN)OC1CNC=N;LMAGIWHQIXMQTH-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372682;MM372682;O=CC(F)CC=CCCF;XJIVFBCRZPXCKP-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372683;MM372683;CC1(CO)OC1CNC=N;UAULEXJJTHCIJL-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372684;MM372684;N#CC(F)CC=CCCF;HAAGGXPEJRUCSJ-UHFFFAOYSA-N;145.15;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372685;MM372685;CC1(CF)OC1CNC=N;HJGNXBYQZYISPV-UHFFFAOYSA-N;146.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372686;MM372686;C=CC(C)CC=CCNC;IGEUFQSNWSNXEO-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372687;MM372687;CC1(CF)OC1CNC=O;KZSAEKWVFBLRFD-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372688;MM372688;C=CC(N)CC=CCNC;PFKGRGUNXJCORG-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372689;MM372689;C=NNCC1OC1(C)CC;PPRLESUMUPRGMJ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372690;MM372690;C=CC(O)CC=CCNC;NMLDBXBDDXCELM-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372691;MM372691;C=NNCC1OC1(C)CN;FRCPASDDPOUCGX-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372692;MM372692;CNCC=CCC(O)C=O;BLKFEYPEGFXZHZ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372693;MM372693;C=C(C)C(C)=CC(O)CC;IXEPRKRFSSCSCY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372694;MM372694;CNCC=CCC(O)C#N;QTPYWGVQXFHRRD-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372695;MM372695;C=COCC1OC1(C)CC;MIWICQYYDPSAKN-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372696;MM372696;CNCC=CCC(F)C#N;YRSJNCWXOWCOCT-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372697;MM372697;C=COCC1OC1(C)CN;YSPJSGYJCIWGAH-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372698;MM372698;C=CCc1ccc(NC)[nH]1;SBXRBLUIAIBJCC-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372699;MM372699;CC1(CN)OC1COC=O;SFKWJKUVAUQVLV-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372700;MM372700;COCC=CCC(O)C#N;NOIFFHRZNZEAQZ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372701;MM372701;CCC1(C)CN1CCC#N;UOYVJPGPLNAOGE-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372702;MM372702;C=CC(C)CC=COCC;ADPDYTBVZQGNTA-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372703;MM372703;C=C(C)CCC(O)C=CC;MUSPZXYKTAWQKU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372704;MM372704;CCOC=CCC(C)C=O;MQOFYCMCRATNDS-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372705;MM372705;CC(O)CCC=CCCF;NKQMDJWFVCVWCS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372706;MM372706;C=CC(N)CC=COCC;WFUMUIKYLKJYQY-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372707;MM372707;C=CCCN1CC1(C)CF;WVUUBPYZVSTVPG-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372708;MM372708;CCOC=CCC(O)C=O;OYTBWKJKMGVTPU-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372709;MM372709;CC1(CF)CN1CCC#N;QBBUVQQHNVOGBX-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372710;MM372710;CCOC=CCC(O)C#N;IVHHXNXFTXNBMT-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372711;MM372711;C#CCCC1CC1(C)CC;MPQRHLNMWQVIFG-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372712;MM372712;CCOC=CCC(F)C#N;IOUAQUNTPTZCHU-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372713;MM372713;C#CCCC1CC1(C)CN;YFMSKJYOMRFBMI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372714;MM372714;C=C(CC1CC1)C1(O)CC1;PUXZMXMFAPBVKL-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372715;MM372715;CC#CC=CC(O)C(C)C;FODAFUXJNDMHRN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372716;MM372716;CCNN=CCC(C)C#N;NEGUTZMRLIMWMI-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372717;MM372717;C#CCCC1CC1(C)CF;CBCZNYFRVFJIIE-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372718;MM372718;C=CC(F)CC=NNCC;VCDDAUDIYZAJMW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372719;MM372719;C#CCCC1CC1(N)CC;AGAAUAFYRHHNEB-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372720;MM372720;CCNN=CCC(F)C#N;PQGOJCDXLUQXNP-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372721;MM372721;C#CCCC1CC1(N)CO;RBEDDAISXYVGLW-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372722;MM372722;C=CC(C)CC=NOCC;OTFFUSNKVYKDCW-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372723;MM372723;C#CCCC1CC1(N)CF;IEYMYDRZDOSWQS-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372724;MM372724;CC1CC2(C=O)NC2C1=O;HPGQNDRJYDVUGP-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372725;MM372725;C=CC(C)C1CC1(C)CO;MCHGFNCRYVKCNM-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372726;MM372726;CCON=CCC(C)C#N;QJUCSOFYRBONMV-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372727;MM372727;C#CCCC1CC1(O)CN;MQWNAJCCVHSWDX-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372728;MM372728;C=CC(N)CC=NOCC;JUAMICSTZZIZCM-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372729;MM372729;C=CC(F)CC=NOCC;DNWIBRNLBUCFOS-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372730;MM372730;C#CCCC1CC1(O)CO;RTZCJCXJESSGGQ-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372731;MM372731;Cn1ncc(N)n1;LJTBHMBVLJIZJE-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372732;MM372732;C#CCCC1CC1(O)CF;UJACDBWHTHCABS-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372733;MM372733;CCON=CCC(F)C#N;XBCWKGNQUMTERV-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372734;MM372734;C#CCCC1CC1(F)CN;GJNCRVBBBKPPBY-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372735;MM372735;C=CC(C)N=CNCCN;BPTDTCKQWWDSTP-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372736;MM372736;C#CCCC1CC1(C)OC;RJRIKWVXKINHCP-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372737;MM372737;CCCN=CNC(C)C#N;ZHKKUHGTCNJFKL-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372738;MM372738;C#CCNC1CC1(C)CN;UCKUKTKIRGLNMT-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372739;MM372739;CC(C=O)N=CNCCO;ALHKXQGUFTUFSI-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372740;MM372740;C#CCNC1CC1(C)CO;OBXQWUUFKHQTQQ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372741;MM372741;C=CC(C)NC=NOCC;OEZKEAFHYVARCP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372742;MM372742;C#CCNC1CC1(C)CF;GEWFMZWEFHMFHC-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372743;MM372743;C#CCNC1CC1(N)CC;YXQALARBPJCCDU-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372744;MM372744;C=CC(C)NN=CCCC;XMUKEKVNNULUSQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372745;MM372745;C#CCNC1CC1(N)CN;QQHXZNUXIQSDRR-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372746;MM372746;C=CC(C)NN=CCCF;PHIYQMTWBGCVSA-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372747;MM372747;C#CCNC1CC1(N)CO;QOEINLSQOXGMMQ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372748;MM372748;C=CC1C(C)C1O;FIAOZKXWYCGNFP-UHFFFAOYSA-N;98.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372749;MM372749;C#CCNC1CC1(O)CN;WXPLRYLELOWAKG-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372750;MM372750;NN=C1CC(F)=CO1;NXRWYBBBPHCTCU-UHFFFAOYSA-N;116.1;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372751;MM372751;C#CCNC1CC1(F)CN;TXMLMIWFNZFWQJ-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372752;MM372752;C=CC(C)OC=CCCO;VOGLFJIMFPDXRU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372753;MM372753;C#CCNC1CC1(C)NC;JYMXVOGYDGZSCL-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372754;MM372754;CCCC=COC(C)C=O;IDZSOPPXCSQRNS-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372755;MM372755;C#CCOC1CC1(C)CC;JFQCNGPILWLTSV-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372756;MM372756;CCCC=COC(C)C#N;JUNUKRHDWQQODJ-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372757;MM372757;C#CCOC1CC1(C)CN;NEFORUDMAQGKST-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372758;MM372758;CC(C#N)OC=CCCO;IBSATQVTORFNOK-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372759;MM372759;C#CCOC1CC1(C)CO;KIADSYXHKFBBOE-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372760;MM372760;C=CC(C)OC=CCNC;VURNXUOWVCMRNN-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372761;MM372761;C#CCOC1CC1(N)CC;HIARIIOYRXCVQE-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372762;MM372762;COCC=COC(C)C=O;CLPDZFRWABMRMV-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372763;MM372763;C#CCOC1CC1(N)CN;XKJMKMMPNLFRNX-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372764;MM372764;COCC=COC(C)C#N;IQYJVTBLFSOYAO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372765;MM372765;C#CCOC1CC1(N)CO;FARQDQYWMFCUQU-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372766;MM372766;CCOC=COC(C)C=O;CHDFCOFWKVMOEV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372767;MM372767;C#CCOC1CC1(O)CC;CWACFGXHUTVXMS-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372768;MM372768;CCOC=COC(C)C#N;GBZHTQDBMROORT-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372769;MM372769;C#CCOC1CC1(O)CN;XWSFIQRBIGJOMH-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372770;MM372770;C=CC(O)CC(=C)CC;OPHBIZLDOIRYLZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372771;MM372771;C#CCOC1CC1(F)CC;NEVKSRZQJOTWSR-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372772;MM372772;CCON=COC(C)C#N;AKUURUDUZJVVTE-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372773;MM372773;C#CCOC1CC1(C)OC;LBSPBCUCZMXKCB-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372774;MM372774;C=CC(O)CC(C)=CC;QYYPTTWSIITHNF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372775;MM372775;C#CCCC1NC1(C)CN;YMDDLVMNSMOYET-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372776;MM372776;CCOC=NOC(C)C#N;MWDIZWXPSSJJQC-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372777;MM372777;C#CCCC1NC1(C)CF;GSOCUSMVKMQONE-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372778;MM372778;CCCC=CCN(C)C=N;RUWHIZCFEFPDPA-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372779;MM372779;C#CCCC1OC1(C)CC;PENHWXNDNFWKIN-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372780;MM372780;CN(C=N)CC=CCCF;QTJMVSLHLYWCOK-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372781;MM372781;C#CCCC1OC1(C)CN;RDVZRWKCYXDNLN-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372782;MM372782;CCCC=CCN(C)C=O;BOXSESPVUGIPNQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372783;MM372783;C#CCCC1OC1(C)CO;AOYHFTQAEQIINR-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372784;MM372784;CN(C=O)CC=CCCN;UNNRUNIJJHNLSY-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372785;MM372785;CC(C=O)C1CC1(C)CO;JKIGQSOIFWWBMI-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372786;MM372786;CN(C=O)CC=CCCF;OPYVICGSGMAPIC-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372787;MM372787;C#CCCN1CC1(C)CF;UOAMSERMOHAHAH-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372788;MM372788;N=CN(N)CC=CCCO;AIIKNOHBYZZNBB-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372789;MM372789;C=CC1(C)CC1CCCC;WQBGLYVIWKJJFU-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372790;MM372790;CCCC=CCN(N)C=O;SQNQVGULSLCPHO-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372791;MM372791;C=CC1(C)CC1CCCN;KDUCOQHLNSHRKR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372792;MM372792;CC=CCC(O)C=CC;WTHJQTGKAMMOJU-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372793;MM372793;C=CC1(C)CC1CCCO;GMIPBYJQRGXHAR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372794;MM372794;CNCC=CCN(C)C=O;FYJQIDVLKVMYHS-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372795;MM372795;C=CC1(C)CC1CCCF;MFLQVJCRPMRAAR-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372796;MM372796;CNCC=CCN(N)C=N;JPOOFNNKULDTNR-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372797;MM372797;CCCCC1CC1(C)C=O;TUYVLQIIBLPUSF-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372798;MM372798;CNCC=CCN(N)C=O;UOHKOEIWVOAWCZ-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372799;MM372799;CCCCC1CC1(C)C#N;OJWYZBDJGIJVON-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372800;MM372800;COCC=CCN(N)C=N;JMFFZVZHZZTCNB-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372801;MM372801;CC1(C=O)CC1CCCO;ONKLAJDFIQYSDS-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372802;MM372802;CCOC=CCN(C)C=N;HOIXJWSKZPKFEF-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372803;MM372803;CCOC=CCN(C)C=O;LPWINYSVJSSKJQ-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372804;MM372804;CC1(C#N)CC1CCCO;AWBAJDVVAXPFFD-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372805;MM372805;C=NN(C)CC=CCCC;HUXYXBPUGQOGSV-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372806;MM372806;CC1(C=O)CC1CCCF;BLVLGIBLIRZFLV-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372807;MM372807;C=CCC(O)C=CCC;MSJUIUDPMKDOPG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372808;MM372808;CC1(C#N)CC1CCCF;WIWDVXHVKPVBJE-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372809;MM372809;C=NN(C)CC=CCNC;CTYJSCIIFLMRHZ-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372810;MM372810;C=CC1(N)CC1CCCC;QSFDLFVUDQHTGL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372811;MM372811;CCON=CCN(C)C=N;PBVLNDQDBYZQGS-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372812;MM372812;C=CC1(N)CC1CCCN;DEMAPSMYJYRTFG-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372813;MM372813;CN(C=N)NC=NCCO;TXQKZNAWQRVDRA-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372814;MM372814;C=CC1(N)CC1CCCO;JQABUZMAOKFARP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372815;MM372815;C#CCC1CC1(O)C=C;DVDZBUDKDNBIFJ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372816;MM372816;C=CC1(N)CC1CCCF;UNMSOAGAEOPXDW-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372817;MM372817;CCON=CNN(C)C=N;MYHTXNZRZGNBTC-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372818;MM372818;C=CC(O)CC(C=C)CC;LFCGVIXMOXRXPR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372819;MM372819;C=CCC=CCC(C)C=C;IXTPOZLRBCSSJL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372820;MM372820;C=CC1(O)CC1CCCN;JGKPRABYTYNFBF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372821;MM372821;C=CC(C)CC=CCC=O;SBHKPECAXLCAHT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372822;MM372822;C=CC(=CC(O)CC)CC;YFMLCGMNQBQEBR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372823;MM372823;C=CCC=CCC(C)C=O;QINISNJDXMTJLW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372824;MM372824;CCCCC1CC1(O)C=O;RQXFQCBEMHAWTJ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372825;MM372825;C=CCC=CCC(C)C#N;LYACOILMRMSDFP-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372826;MM372826;O=CC1(O)CC1CCCO;NYIQWXIODZTINI-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372827;MM372827;CC(C=O)CC=CCC=O;SESIASKMXPSINB-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372828;MM372828;N#CC1(O)CC1CCCO;JIFRATYMILHUCN-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372829;MM372829;C=CCC=CCC(N)C=C;MOUXENIJYDMQLP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372830;MM372830;C=CC1(F)CC1CCCC;DQTOTWVTIPWXSI-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372831;MM372831;CC1CC(=NN)C=C1F;UHQIISSWQBDOPL-UHFFFAOYSA-N;128.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372832;MM372832;C=CC1(F)CC1CCCO;INKGIGFWZFBGOC-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372833;MM372833;COC1=CC(=O)C(=N)N1;NKDZCBCQJFRRHG-UHFFFAOYSA-N;126.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372834;MM372834;CCCCC1CC1(F)C=O;HSTLXXFUVUMVNH-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372835;MM372835;C=CCC=CCC(O)C#N;USAREUSNUJEFBO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372836;MM372836;CCCCC1CC1(F)C#N;HXUFLZCULZYKID-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372837;MM372837;N#CCC=CCC(O)C=O;PQYVGWQUAVWNCN-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372838;MM372838;O=CC1(F)CC1CCCO;MZEOAKXNMIBMEH-UHFFFAOYSA-N;146.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372839;MM372839;C=CC(F)CC=CCC#N;WHZMGDFHELBUSJ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372840;MM372840;N#CC1(F)CC1CCCO;ODMBPMKNXGXBJE-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372841;MM372841;C=CCC=CCC(F)C=O;QBLVAUWBSLIQIE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372842;MM372842;C=CC1(C)CC1CCNC;XKLCYGZWWSYTTI-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372843;MM372843;C=CCC=CCC(F)C#N;JTNTYFPSPYJHJX-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372844;MM372844;C=CC1(O)CC1CCNC;OATGMFRLTGHPSM-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372845;MM372845;N#CC(F)CC=CCC=O;VIZVLVAVGGSXCM-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372846;MM372846;CNCCC1CC1(O)C#N;URMUVDRDNKKULL-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372847;MM372847;C=CC(C)CC=CNC=N;COTDFQLAAIUZDU-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372848;MM372848;C=CC1(O)CC1CCOC;RQPHLNVIXUXUBP-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372849;MM372849;CC(C=O)CC=CN=CN;DJTBTRWYVBPAOP-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372850;MM372850;COCCC1CC1(O)C=O;PSPWMEGFUHBSBH-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372851;MM372851;CC(C#N)CC=CNC=N;VBDKLDKUDLAUQE-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372852;MM372852;C=CC1(C)CC1CNCC;MIIQMKPKDKEEDG-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372853;MM372853;C=CC(N)CC=CNC=N;NICWIIVRARSATI-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372854;MM372854;CCNCC1CC1(C)C=O;CZICRKWMMGGIHH-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372855;MM372855;C=CC(O)CC=CNC=N;RJQDVIGKGHIFFG-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372856;MM372856;CCNCC1CC1(C)C#N;SCCYUWBVOLKVFB-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372857;MM372857;C=CC(O)CC=CNC=O;WQHIFXMSYJOWQZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372858;MM372858;C=CC1(N)CC1CNCC;AGQLXNSYPFWLTP-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372859;MM372859;N#CC(O)CC=CNC=O;HZRIBTMCWHBENO-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372860;MM372860;C=CC1(O)CC1CNCC;AOCSIIPOWWXMHN-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372861;MM372861;C=COC=CCC(C)C#N;ZIEVANFJOGJKNY-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372862;MM372862;CCNCC1CC1(O)C=O;XQXGYNUKBRUCAS-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372863;MM372863;CC(C=O)CC=COC=O;TUOZNLVXMABMJX-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372864;MM372864;CCNCC1CC1(O)C#N;GHUNBKXBWHWOLI-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372865;MM372865;C=COC=CCC(N)C=C;QQOOPZZLMZTXEL-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372866;MM372866;CCNCC1CC1(F)C=O;IFOCAQAEVSIOCI-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372867;MM372867;C=COC=CCC(O)C#N;CGIDMKJJIPLUJK-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372868;MM372868;CCNCC1CC1(F)C#N;HCMJDEMBCZYEER-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372869;MM372869;O=COC=CCC(O)C=O;AVHBCNINNIBDLX-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372870;MM372870;CCOCC1CC1(C)C=O;LANSPDCPVRJQOK-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372871;MM372871;C=C1C=CC2(O)CC2C1;BCMXOBAJLGTDEV-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372872;MM372872;C=CC1(N)CC1COCC;BDROBTPEUCOXRE-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372873;MM372873;C=CC(N)CC=NNC=N;YFDNTCAOXXOPPO-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372874;MM372874;C=CC1(O)CC1COCC;YTZKVRFNWWYBFE-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372875;MM372875;C=CC(N)CC=NNC=O;ITMBHPCCHVGWLE-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372876;MM372876;CCOCC1CC1(O)C=O;WQKKNDCLCJIIJG-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372877;MM372877;C=CC(O)CC=NNC=O;ZDXQPQXIEKIJKS-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372878;MM372878;C=CC1(F)CC1COCC;VLIXIYFHYBEHKI-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372879;MM372879;C=CC(F)CC=NNC=O;HUSXQFUGFIJWFR-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372880;MM372880;CCOCC1CC1(F)C=O;GTRKNARSVPIWHI-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372881;MM372881;C=CCn1ncc(N)n1;CVTWJWBQGMSJCN-UHFFFAOYSA-N;124.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372882;MM372882;C=CC1(C)CC1NCCC;CEGLLVBDHVWGNY-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372883;MM372883;CC(C#N)CC=NOC=O;BYPDYNWENJVKDI-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372884;MM372884;C=CC1(C)CC1NCCN;HXYCQCHAPSQPNB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372885;MM372885;C=CC(F)CC=NOC=O;RESMYEFMTZRODZ-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372886;MM372886;C=CC1(C)CC1NCCO;QQSTTXZZVYRQPE-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372887;MM372887;C=CNC=NCC(C)C=C;VBUILGQICSVCLM-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372888;MM372888;CCCNC1CC1(C)C=O;BVUYIWSOTGJIIO-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372889;MM372889;C=CNC=NCC(N)C=C;NIJHZXWKERXDAH-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372890;MM372890;CC1(C=O)CC1NCCO;WJXBYQJQHINIOK-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372891;MM372891;C=CNC=NCC(O)C=C;OOMHTJIGNGYEIN-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372892;MM372892;C=CC1(N)CC1NCCC;IPFXWQMMGDJYPO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372893;MM372893;C=CNC=NCC(F)C=C;HZSXOSBOJDSHRR-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372894;MM372894;C=CC1(N)CC1NCCN;DTSZLUUQDCOGSO-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372895;MM372895;C=CNC=NCC(F)C=O;CZPPQRBBXXNKII-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372896;MM372896;C=CC1(N)CC1NCCF;VZOCWUBAYONHOC-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372897;MM372897;C=CCNC=NC(C)C=C;BPQIGIGWOPODTE-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372898;MM372898;C=CC1(O)CC1NCCN;ZKYKCIYEOKBYNB-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372899;MM372899;C=CCNC=NC(C)C=O;XVTSOIGHZSOPCW-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372900;MM372900;C=CC1(O)CC1NCCO;RMXSDOBEKGTSKE-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372901;MM372901;CCOc1c[nH]c(N)c1;JFDUTZHDAFYCIN-UHFFFAOYSA-N;126.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372902;MM372902;CCCNC1CC1(O)C=O;JMPBZBQHUXDHKR-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372903;MM372903;C=CCC=NNC(C)C=C;DNRJQRZAMCVHDT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372904;MM372904;C=CC1(F)CC1NCCN;UEIVLNPWCOWPBZ-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372905;MM372905;CC1C(=O)CNC1C#N;VBBAAXKSSBXHDX-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372906;MM372906;CCCNC1CC1(F)C#N;IRXMLAGVOAMDPT-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372907;MM372907;C=CNC=NNC(C)C=C;VOALNGKOPLGRBM-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372908;MM372908;C=CC1(C)CC1OCCC;QJBBJLWXGPSLGY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372909;MM372909;CN1C(=O)CCC1C=O;OTKGOSOTGGCFER-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372910;MM372910;C=CC1(C)CC1OCCN;RSVPMECZNBYELP-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372911;MM372911;C=CC(C)OC=CCC#N;SDBRFEPEIUCSBI-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372913;MM372913;CCCOC1CC1(C)C=O;QHAUNKLMVNGZIL-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372912;MM372912;CC(C=O)OC=CCC#N;GBCVDIRDASPWTK-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372914;MM372914;C=CC(C)OC=CNC=N;HPDJMZPLRFUSCF-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372915;MM372915;C=CC1(N)CC1OCCC;RGIBKDJNFFKMMN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372916;MM372916;C=CC(C)OC=CNC=O;OWJFQJSHPSEYDJ-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372917;MM372917;C=CC1(N)CC1OCCN;GHARIIXGQYULHV-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372918;MM372918;CC(C=O)OC=CNC=O;QJDONPQYASXVMY-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372919;MM372919;C=CC1(O)CC1OCCC;CXGLEUPPLNTJPT-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372920;MM372920;C=COC=COC(C)C=C;DMYFBBSGFDTHNR-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372921;MM372921;C=CC1(O)CC1OCCN;NRUQHMMDSVFQRG-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372922;MM372922;C=COC=COC(C)C=O;BPHNIMYAYCSDGN-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372923;MM372923;C=CC1(O)CC1OCCO;JCWLHYMQFDBOCS-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372924;MM372924;C=COC=COC(C)C#N;VYDMIWURVFOFBM-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372925;MM372925;CCCOC1CC1(O)C=O;HLIWSTJIUAOACV-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372926;MM372926;CC(C#N)OC=COC=O;IEGYDGDOKCEXKK-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372927;MM372927;CCCOC1CC1(O)C#N;GQUIOXUOXAXNBU-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372928;MM372928;Cc1noc(C=O)c1N;KAJDJRMHIICNMB-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372929;MM372929;N#CC1(O)CC1OCCO;LTFYSIHRCURNKT-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372930;MM372930;C=CC(C)OC=NNC=O;RETWIHKDTOPCMP-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372931;MM372931;C=CC1(F)CC1OCCN;LWSFYKMZWUSLRS-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372932;MM372932;C=CC(C)OC=NOC=O;MLAWJCCUQYCCSW-UHFFFAOYSA-N;143.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372933;MM372933;C=CC1(F)CC1OCCO;IKMIQKVWSROMLU-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372934;MM372934;CNc1cn(C=N)nn1;MJVUZOSZSIJHQL-UHFFFAOYSA-N;125.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372935;MM372935;CCCOC1CC1(F)C=O;ILWDURXLEFAIFL-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372936;MM372936;CNN=CCCCC=O;RHVZTXJYHUCJCX-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372937;MM372937;CCCOC1CC1(F)C#N;FEGNRXZMKDSJSA-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372938;MM372938;C=COC=NOC(C)C#N;TXOJZXKRYCUQRK-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372939;MM372939;N#CC1(F)CC1OCCO;NKRKYSKINVWVKU-UHFFFAOYSA-N;145.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372940;MM372940;C=CCC=CCN(C)C=O;KQHCAGYNRWJBSH-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372941;MM372941;C=CC1(F)CC1OCOC;XWCIWOZZRQRYRJ-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372942;MM372942;C=CCC=CCN(N)C=N;IGTWSINUGXOAOB-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372943;MM372943;C=CC1(C)NC1CCCN;FCQLSNGLHJBAAA-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372944;MM372944;C=CCC=CCN(N)C=O;VFXIVFJTGTXTLB-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372945;MM372945;CCCCC1NC1(C)C=O;OSHNJHMROBHGFI-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372946;MM372946;CN(C=O)CC=CNC=O;MHEDGCWJRGJXPK-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372947;MM372947;CCC(CO)CC=C(C)C;MZPUCHPNPOIHAO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372948;MM372948;C=COC=CCN(C)C=N;MLPVHVROQFLJDA-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372949;MM372949;CC1(C=O)NC1CCCF;RSZQIWBUDHTCGR-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372950;MM372950;C=COC=CCN(C)C=O;XZRABDNZMQNZPK-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372951;MM372951;CC1(C#N)NC1CCCF;WYHGLBOZDJSHJR-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372952;MM372952;C=NN(C)CC=CCC#N;YPMRVKAUMHOTEP-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372953;MM372953;C=CC1(C)NC1CCNC;ATSKEDZYHGKSSI-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372954;MM372954;C=COC=CCN(C)N=C;CLPHJFARTGEUNW-UHFFFAOYSA-N;140.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372955;MM372955;CNCCC1NC1(C)C=O;QKDWRSSBJLSOFH-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372956;MM372956;CN(C=N)CC=NNC=N;FPPHVTQJQNQEPJ-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372957;MM372957;CCNCC1NC1(C)C=O;CANBEVPTXDSFDM-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372958;MM372958;CN(C=N)N=CNNC=N;FOSJLPMMFAJRLZ-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372959;MM372959;CCNCC1NC1(C)C#N;WNUHWICPDJJLNH-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372960;MM372960;CN(C=O)N=CNNC=O;POQPDROBCCAFSI-UHFFFAOYSA-N;144.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372961;MM372961;C=CC1(C)NC1COCC;SIFAEYSBFQRHAS-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372962;MM372962;CN(C=N)NC=NOC=O;CRXBKMCDWGWUPE-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372963;MM372963;CCOCC1NC1(C)C=O;JWNHZVCLDDGGQW-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372964;MM372964;C#CC(C)(CO)CC(=C)C;JZJVANYATRHART-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372965;MM372965;CCOCC1NC1(C)C#N;YRAYCRZRZHPPEF-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372966;MM372966;C#CCC=CCC(C)C=C;DABNHLMNPHHTAO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372967;MM372967;C=CC1(C)OC1CCCC;VLLFSUJPZLWANO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372968;MM372968;C#CCC=CCC(C)C=O;UVDIGNGDLRXFON-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372969;MM372969;C=CC1(C)OC1CCCN;LMVMKBFSBXCALS-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372970;MM372970;C#CCC=CCC(C)C#N;GOVNWQXSKKMELZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372971;MM372971;CCCCC1OC1(C)C=O;OFGGUPCOGIZLKB-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372972;MM372972;C#CCC=CCC(N)C=C;FXAJFDSYKCVZPE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372973;MM372973;CCCCC1OC1(C)C#N;RPVQWUKBQYFABO-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372974;MM372974;C=CC(O)CC(=C)CCF;WWPAGIPHJNKVFF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372975;MM372975;C=CC1(C)OC1CCNC;XINMPLTVOBXMEU-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372976;MM372976;C#CCC=CCC(O)C=O;IRWKRAVGXYLHCL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372977;MM372977;CNCCC1OC1(C)C#N;ZXQWKINXYKBLEH-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372978;MM372978;C#CCC=CCC(F)C=O;YPAVJPVXXKXJBJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372979;MM372979;COCCC1OC1(C)C#N;VTWPDMAJDGPTAO-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372980;MM372980;C#CCC=CCC(F)C#N;CQPMYAINOSPGSR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372981;MM372981;C=CC1(C)OC1CNCC;NNPSSGFMMONLDZ-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372982;MM372982;C#CCC=NNC(C)C=C;YJAYTZINYQUQHA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372983;MM372983;CCNCC1OC1(C)C=O;HSNLDEQJOLGINA-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372984;MM372984;C=CC(O)CC(C)=CCC;IQORESXCJFVNOP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372985;MM372985;CCNCC1OC1(C)C#N;CVZABVDJMDJXEX-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372986;MM372986;C=CC1(O)CC(CC=O)C1;WJNRJWFRJHHQEA-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372987;MM372987;C=CC1(C)CN1CCCN;CKVXDOALNIBWAF-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372988;MM372988;C#CCC=CCN(C)C=N;WBPIGWDHNYDLPM-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372989;MM372989;CCC(CO)CC=C(C)F;MCMKTSKEHZISOH-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372990;MM372990;C#CCC=CCN(C)C=O;BIJTUWZDAPFEJO-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372991;MM372991;C=CC1(C)CN1CCCF;IRLNZGBFSPVHER-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372992;MM372992;C#CCC=CCN(N)C=N;YMWIYMXPNCTJPN-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372993;MM372993;CCCCN1CC1(C)C=O;FEOCWIBHHQCNKV-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372994;MM372994;C#CCC=CCN(N)C=O;MXPUAUHJIRHUQV-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372995;MM372995;CCCCN1CC1(C)C#N;ODJAEDUWAHBYOP-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372996;MM372996;C#CCN=CNN(C)C=N;OJNVADYTXCFOCF-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372997;MM372997;CCC(CO)CC=C(F)F;LEOJNFFZSMIAJX-UHFFFAOYSA-N;150.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372998;MM372998;CC=CC(O)CC=CCC;VLCGCYLKASVJCX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM372999;MM372999;C=CCCC1CC1(C)C=C;DMZFSUXXHHXLCP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373000;MM373000;C#CC(C)CC=CCCC;XUCIEBZVTYWVDJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373001;MM373001;C=CC1(C)CC1CCC=O;KDZLRHYQDWDIHI-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373002;MM373002;C#CC(C)CC=CCCO;NMDBAADNXZVPOX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373003;MM373003;C=CC1(C)CC1CCC#N;NXPVTBSRFWYHBZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373004;MM373004;C#CC(N)CC=CCCC;UYNORVGXVMTBBI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373005;MM373005;C=CCCC1CC1(C)C=O;AITZVMFFGDZYDA-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373006;MM373006;C=CCCC1CC1(C)C#N;CYSFWBRTRCPORX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373007;MM373007;C#CC(N)CC=CCCF;CAGKIGMNAIJUPM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373008;MM373008;CC1(C=O)CC1CCC=O;KHSAAOYBCXTCMX-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373009;MM373009;C#CC(O)CC=CCCC;DEASKKRFFNGXGV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373010;MM373010;CC1(C=O)CC1CCC#N;GIXCWFKKBPHNEG-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373011;MM373011;C#CC(O)CC=CCCF;CKBAPSXCGWZXNZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373012;MM373012;CC1(C#N)CC1CCC=O;HTWRTYSQUFLIHP-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373013;MM373013;C#CC(F)CC=CCCC;NVSQFMJAEGCBBQ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373014;MM373014;CC1(C#N)CC1CCC#N;AAIQKPOSGWBAKG-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373015;MM373015;C#CC(F)CC=CCCO;OVVSLRQYDRIUQR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373016;MM373016;C=CCCC1CC1(N)C=C;ZRQFYMZFVRRXNP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373017;MM373017;C#CC(F)CC=CCCF;HVQYMIDXWFFPGU-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373018;MM373018;C=CC(C)CC1(CO)CC1;SSFZQARGJUROLS-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373019;MM373019;C#CC(C)CC=CCNC;QAPBLGOKMRAIGS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373020;MM373020;CC(C=O)CC1(CO)CC1;GKHUPLHERQKBPD-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373021;MM373021;C#CC(F)CC=NNCC;DDADCKKEVWDXHK-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373022;MM373022;CC1(CCC2(O)CC2)CC1;HMXDCFWXBULBLL-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373023;MM373023;C#CC(C)CC=NOCC;QQUYQYUXSIUWAX-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373024;MM373024;C=CCCC1CC1(O)C=O;GYMXPKCAQJZADN-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373025;MM373025;C#CC(F)CC=NOCC;PFDGCYFKRJJZEL-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373026;MM373026;C=CCCC1CC1(O)C#N;XYUYXCIEEUHESG-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373027;MM373027;C#CC(C)NC=NCCC;FNCMNCPBRVVOOV-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373028;MM373028;O=CCCC1CC1(O)C=O;OLRSLIDMGFFOEK-UHFFFAOYSA-N;142.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373029;MM373029;C#CC(C)NN=CCCN;CLMFZIBVCWTLKG-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373030;MM373030;N#CCCC1CC1(O)C=O;LYDLRVWATFGVPN-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373031;MM373031;CCCC(O)CC#CCF;CBFUDCDHBQWLNR-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373032;MM373032;N#CC1(O)CC1CCC=O;KWIJFEDXQTUYPV-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373033;MM373033;C#CC(C)OC=CCCC;LQRVPDXJSIPHQR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373034;MM373034;C#CC(C)OC=CCCO;GXCBPIFCAYICJJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373035;MM373035;N#CCCC1CC1(O)C#N;ZONOMCQZPAKAMI-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373036;MM373036;C#CC(C)OC=CCOC;NQZDFCBLGDYKHQ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373037;MM373037;C=CCCC1CC1(F)C=C;TXGFVZQSCKRJRI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373038;MM373038;C#CC(C)OC=COCC;MAXOVKQKPUBJPR-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373039;MM373039;C=CC1(F)CC1CCC=O;OONKJTSRPWWXPF-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373040;MM373040;C=CCC(O)C=CCCC;QHDCVQLFLABIFR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373041;MM373041;C=CC1(F)CC1CCC#N;HAVPTNKBMAKUEV-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373042;MM373042;C#CC(C)OC=NOCC;IBMFXMKZHOMGJB-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373043;MM373043;C=CCCC1CC1(F)C=O;GXMOHYLDKLOHKE-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373044;MM373044;C#CC(C)ON=COCC;OKIHEXCAGCPUIQ-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373045;MM373045;C=CCCC1CC1(F)C#N;IBOWHMFHYANUEJ-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373046;MM373046;C#CC(C)CC=CCC=C;UHIRLBBJWFHYBR-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373047;MM373047;O=CCCC1CC1(F)C=O;KSANYHDZJWHRRV-UHFFFAOYSA-N;144.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373048;MM373048;C#CC(N)CC=CCC=C;JFJOCTSRGGCMFG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373049;MM373049;N#CCCC1CC1(F)C=O;LCUDHQIDTGVRRY-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373050;MM373050;C#CC(O)CC=CCC=O;JHLGPMRPIUFHFB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373051;MM373051;N#CCCC1CC1(F)C#N;UKAOQWCUIUZUFZ-UHFFFAOYSA-N;138.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373052;MM373052;C#CC(O)CC=CCC#N;FEMGUTFTMDZRNY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373053;MM373053;C=CC1(C)CC1CNC=N;GYLSPPYOHYVFIE-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373054;MM373054;C#CC(F)CC=CCC=C;OVIGWXKTVGJISS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373055;MM373055;C#CC(F)C(=N)N(C)C=C;BHBKSZFUMYPPDE-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373056;MM373056;C#CC(F)CC=CCC#N;LSRFYWILWJYQLK-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373057;MM373057;CC1(C#N)CC1CNC=N;BIMCNSXRBQTLEK-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373058;MM373058;C#CC(C)CC=CNC=N;LWPMYIXHCCACJM-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373059;MM373059;C=CC1(N)CC1CNC=N;ALTWEUQBXJBLFK-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373060;MM373060;C#CC(C)CC=CNC=O;AGSOSXOFHGDUEY-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373061;MM373061;C=CC1(N)CC1CNC=O;BVVHFKJCWOGIJL-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373062;MM373062;C#CC(N)CC=CNC=O;NIKLGEJGHVDZTL-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373063;MM373063;C=CC1(O)CC1CNC=O;SOOGBWJNGGHFAB-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373064;MM373064;C#CC(F)CC=CNC=N;CTEUJDUAIGQAPF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373065;MM373065;N#CC1(O)CC1CNC=N;KGJXNBBNXNRXGG-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373066;MM373066;C#CC(C)CC=COC=O;AXFVXCWHSRQYQU-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373067;MM373067;O=CNCC1CC1(O)C=O;KCRGUEQZFUDSDP-UHFFFAOYSA-N;143.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373068;MM373068;C#CC(N)CC=COC=C;ZUQUOLPCEOPKTB-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373069;MM373069;N#CC1(O)CC1CNC=O;RQNSLXIHLVFXKY-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373070;MM373070;C#CC(N)CC=COC=O;PQLVLMOMEZGCOJ-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373071;MM373071;C=CC1(F)CC1CNC=N;IEKAELIUFDWNCB-UHFFFAOYSA-N;142.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373072;MM373072;C#CC(F)CC=NNC=O;PWSFCBRDPMDSIA-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373073;MM373073;C=CC=CC(C)C(C)CO;GWJFKONXPJSWLV-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373074;MM373074;C#CC(C)CC=NOC=O;PBJNFDZJKATSCO-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373075;MM373075;O=CNCC1CC1(F)C=O;YNZGCGQUBBVWCP-UHFFFAOYSA-N;145.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373076;MM373076;C#CC(C)CN=CNC=C;QXSWUTUJZTVRNQ-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373077;MM373077;C=CC1(C)CC1CNN=C;SKHDEQSHZUJGBR-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373078;MM373078;C#CC(N)CN=CNC=C;GEGMZBNCMZFDGA-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373079;MM373079;C=CC1(N)CC1CNN=C;HZRPGBFWNPCYJC-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373080;MM373080;C#CC(F)CN=CNC=C;JXQAVPXBUHLZDG-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373081;MM373081;CC(C=CC#N)C(C)CO;NGXUVKZMLMQZHJ-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373082;MM373082;C#CC(C)N=CNCC=C;BHMNGGFLCVUKBP-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373083;MM373083;CC=CCNN=C(N)C=O;IUSVTNIDIVBWQL-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373084;MM373084;C=CCC(O)C=CCCF;IANCELYLZOMTBW-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373085;MM373085;C=COCC1CC1(C)C=C;PBEVCJKJYGDLJN-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373086;MM373086;C#CC(C)OC=CCC#N;XGTAFTWBBYFCIM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373087;MM373087;C=CC1(C)CC1COC=O;DTAWUCOMIHPRIB-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373088;MM373088;C#CC(C)OC=CNC=N;YDODSXODILQWDU-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373089;MM373089;C=COCC1CC1(N)C=C;WLESAICWIVXZIV-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373090;MM373090;C#CC(C)OC=COC=C;FSJUNKPJDVNBHH-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373091;MM373091;C=CC1(O)CC1COC=O;QGARZEJCCUAYPV-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373092;MM373092;C#CC(C)OC=COC=O;ODGVLPDXHCZCMC-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373093;MM373093;C=COCC1CC1(O)C=O;XEYFZDBQAHNBSW-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373094;MM373094;C#CC(C)OC=NOC=O;TWGIVAOOGQCNRG-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373095;MM373095;N#CC=C(N)CCCC=O;UELAWEFYPAGOIT-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373096;MM373096;C=COCC1CC1(O)C#N;VDBCJHHBAXRLMR-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373097;MM373097;C#CC(C)ON=COC=C;CDCJUJSEOCGTJC-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373098;MM373098;O=COCC1CC1(O)C=O;WLJOZOXRSPIYED-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373099;MM373099;C#CCC=CCC(C)C#C;FOLFLHHADGUDLD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373100;MM373100;C=CC1(F)CC1COC=O;ACPMDXCZQLCPRL-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373101;MM373101;C#CCC=CCC(N)C#C;NGAKKSJDLCKOGZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373102;MM373102;C=COCC1CC1(F)C=O;SWYHERVMNUFQRE-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373103;MM373103;C#CCC=CCC(F)C#C;WDAFTSSKHZULIX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373104;MM373104;O=COCC1CC1(F)C=O;MLKAXKIEHACCBU-UHFFFAOYSA-N;146.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373105;MM373105;C=C(CC)CC=CCCC;CQIDFNMYBHEDFB-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373106;MM373106;C=CC1(C)CC1CON=C;QCYMHBJVWMSZTA-UHFFFAOYSA-N;139.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373107;MM373107;C=C(CN)CC=CCCC;OBWJYFRBOYRLNT-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373108;MM373108;C=NOCC1CC1(C)C=O;ZQRPMLXHIRJLGW-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373109;MM373109;C=C(CN)CC=CCCF;GVFHNFRZIIHQAS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373110;MM373110;C=CCCC1CC1(O)C=C;PUTTWPOBUSDFQS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373111;MM373111;C=C(CO)CC=CCCC;REJIEBAZHHYFBL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373112;MM373112;CCC=CCC(CC)CO;NNBFENNXXGTCHC-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373113;MM373113;C=C(CO)CC=CCCO;IHARHXUVWWTCTD-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373114;MM373114;C=CC1(F)CC1CON=C;NPPPKPWEZHZUFU-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373115;MM373115;CCCC=CCC(=O)CC;UWNFCYBQKWENLD-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373116;MM373116;C=NOCC1CC1(F)C=O;VQLDTJUDCWBPCF-UHFFFAOYSA-N;145.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373117;MM373117;CCC(=O)CC=CCCF;JNHBZLINLUXWNK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373118;MM373118;C=CCNC1CC1(C)C=C;XFVZOWWHQPSHAW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373119;MM373119;CCCC=CCC(=O)CO;IZVBJCXFGWSJCG-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373120;MM373120;C=CC1(C)CC1NCC#N;HXMSKULIRVCJSH-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373121;MM373121;O=C(CO)CC=CCCO;RJXIWPYALFCQPG-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373122;MM373122;CC1(C=O)CC1NCC#N;VIUHAXLNRYRIDK-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373123;MM373123;O=C(CO)CC=CCCF;HEIPTSSLFSROGU-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373124;MM373124;CC1(C#N)CC1NCC#N;CZTXGXMRWRXJCT-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373125;MM373125;CCCC=CCC(=O)CF;OZDLPFVNSNTUJG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373126;MM373126;C=CCNC1CC1(N)C=C;MGAYILRVUGDDTG-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373127;MM373127;O=C(CF)CC=CCCF;UECNBYRWEAQVNE-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373128;MM373128;C=CCNC1CC1(O)C=C;IWGBZSZUDLHRFN-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373129;MM373129;C=C(CC)CC=CCNC;BNMMRZFALCGEGW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373130;MM373130;C=CC=CCC(CC)CO;DLAZJXWBUNGOEQ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373131;MM373131;C=C(CO)CC=CCNC;LLMINXBSUXUKQP-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373132;MM373132;CCC(CO)CC=CC=O;INESKGMKMOLMFI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373133;MM373133;CCC(=O)CC=CCNC;NXEGEORRDFMGTD-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373134;MM373134;C#CC=CCC(CC)CO;GLLJSFDIYMVKRC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373135;MM373135;C=C(CC)CC=COCC;FIMVALCOSHJJNQ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373136;MM373136;CC=Cn1cc(NC)nn1;XYQDHRQTASUCDU-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373137;MM373137;C=C(CN)CC=COCC;AGJWHEIUIRTZMU-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373138;MM373138;N#CCNC1CC1(O)C#N;HSSBBNJLOKOIPS-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373139;MM373139;C=C(CO)CC=COCC;CCWRMWVSIGAOSR-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373140;MM373140;C=CC1(F)CC1NCC#N;ZEVUSACJXJWGKW-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373141;MM373141;CCOC=CCC(=O)CF;GDEJCNXMIVDAQS-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373142;MM373142;C=CCNC1CC1(F)C#N;KCIBCFUBNQCMSD-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373143;MM373143;CCCC=CCC(=N)NC;KEXDYTUJLGDQJG-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373144;MM373144;CCC1CC1C1(C)CC1O;WZCXZJNDLJTLJY-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373145;MM373145;CNC(=N)CC=CCCN;NWHGEUOMKQUOOO-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373146;MM373146;C=C1C(CC)CCC1CO;SQAPRHZLOORLFB-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373147;MM373147;CNC(=N)CC=CCCO;PDUGTVDXHKXTTH-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373148;MM373148;N#CCNC1CC1(F)C#N;XIOPPSGQBLVPGZ-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373149;MM373149;CCCC=CCC(=N)NN;RKHLVMIISPKVKR-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373150;MM373150;CC1(C=O)CC1NN=CN;JVBRHZGRCFPTQU-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373151;MM373151;N=C(CC=CCCO)NN;ATPWJAGJKOLVTH-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373152;MM373152;CC1(C#N)CC1NNC=N;QDFZNPXQLUJGRD-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373153;MM373153;N=C(CC=CCCF)NN;AIEBMQFZZYWOTL-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373154;MM373154;C=C1C(CO)CCC1CO;PUJSSLLWDKHIPV-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373155;MM373155;N=C(CC=CCCF)NO;PDDLTXHQFQOKBR-UHFFFAOYSA-N;146.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373156;MM373156;NC=NNC1CC1(O)C=O;RUMVNSCQBXUVQF-UHFFFAOYSA-N;143.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373157;MM373157;CCCC=CCC(=O)NC;FDMBWTSJPNACQI-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373158;MM373158;N#CC1(O)CC1NNC=O;QWTBQPXEGSOELK-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373159;MM373159;C#CC=C1C=C(C)C(O)C1;ANGLVLSINVZQLW-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373160;MM373160;C=CC1(F)CC1NNC=N;XWFVWZWJLQRRTE-UHFFFAOYSA-N;143.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373161;MM373161;CCCC=CCC(=O)NO;ZGIQJVSKUGKDIY-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373162;MM373162;NCCC=CCC(=O)NO;YUQXAPCXADFACS-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373163;MM373163;C=CC1(F)CC1NNC=O;NZEKYBIBUYGBFD-UHFFFAOYSA-N;144.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373164;MM373164;CNCC=CCC(=N)NC;WGHBAVIPXIQIRJ-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373165;MM373165;N#CC1(F)CC1NNC=N;DEEGWOIYJSPDNZ-UHFFFAOYSA-N;142.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373166;MM373166;CNCC=CCC(=O)NN;BUFHRTSTDQMIOZ-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373167;MM373167;N#CC1(F)CC1NNC=O;DPFNDXLBMNYSNH-UHFFFAOYSA-N;143.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373168;MM373168;CNC(=N)CC=CCOC;SOEKZIANFKUSJX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373169;MM373169;C=CCOC1CC1(C)C=C;FSNWEQJIKAGAHU-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373170;MM373170;CCOC=CCC(=N)NC;DRZBQRHGGUDIRT-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373171;MM373171;C=CC1(C)CC1OCC=O;OIIOQUPPSCPXCN-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373172;MM373172;CCOC=CCC(=N)NN;ZMCNHCJWLAUYIJ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373173;MM373173;C=CC1(C)CC1OCC#N;GQMOGWLROFPHGD-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373174;MM373174;CCOC=CCC(=N)NO;IFKZVHNFLJVOLQ-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373175;MM373175;C=CCOC1CC1(C)C#N;XQPGBQIEOOWGFW-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373176;MM373176;CCOC=CCC(=O)NC;FVSPQHGSNDPOGM-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373177;MM373177;CC1(C=O)CC1OCC=O;YYZSXYZYWXHHAF-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373178;MM373178;C=C(CC=CCCC)OC;XQYWTJALHFLNQI-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373179;MM373179;CC1(C=O)CC1OCC#N;SRLIVEZVDNNEOD-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373180;MM373180;CCCC=CCC(=O)OC;MELNJTLUIHVCHX-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373181;MM373181;CC1(C#N)CC1OCC=O;BDZJIZSKSFLPLE-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373182;MM373182;COC(=O)CC=CCCF;MCZQJCVVDINZLJ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373183;MM373183;CC1(C#N)CC1OCC#N;TWCRJFGGSTXBHA-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373184;MM373184;C=C(CC=CCNC)OC;NKZYEJHIMHVSDB-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373185;MM373185;C=CC1(O)CC1OCC=O;MNNQRNAESWTLIA-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373186;MM373186;CCOC=CCC(=O)OC;FQUXHQYKVUJUQA-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373187;MM373187;C=CCOC1CC1(O)C=O;XYWOYNKMPXTWNC-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373188;MM373188;C=C(CF)CC=NNCC;JGFZVPGGBVPOAM-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373189;MM373189;C=CCOC1CC1(O)C#N;RRDIIEIAMXQTET-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373190;MM373190;C=CCC1=CC(=C)C(O)C1;GWOPULZBTMHXFG-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373191;MM373191;N#CCOC1CC1(O)C=O;IJOKOBKLKXXTQU-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373192;MM373192;C#CC=NNC=C(F)C=O;OTTWTHANAYDDKN-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373193;MM373193;N#CCOC1CC1(O)C#N;DMRQPIRZRVGSAK-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373194;MM373194;C=C(CC)CC=NOCC;YPSAQMHTPKWUPJ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373195;MM373195;C=CC1(F)CC1OCC=O;LEMVNXMKNDPDGA-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373196;MM373196;C=C(CN)CC=NOCC;MCSYAVFHKJNAAE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373197;MM373197;C=CC1(F)CC1OCC#N;HFQZBQHRYSMCGJ-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373198;MM373198;CC(=O)C(CF)NCC=O;AVXMGAPKURCSSM-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373199;MM373199;C=CCOC1CC1(F)C=O;JYSCCQYAQOQYSC-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373200;MM373200;CC(C=O)CC1C(C)N1C;CKSFFQBPFLGAAV-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373201;MM373201;C=CCOC1CC1(F)C#N;WDFMOXBAJWKUIK-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373202;MM373202;C=CC(C#N)NN=COC;RHFUWWAOYLURHC-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373203;MM373203;O=CCOC1CC1(F)C=O;RYHMFWNHZGLBFF-UHFFFAOYSA-N;146.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373204;MM373204;CCNN=CCC(=N)NN;ABALBGBSVBMPGI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373205;MM373205;N#CCOC1CC1(F)C=O;XATQAJCJDHRXQS-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373206;MM373206;CCNN=CCC(=N)NO;SGHYDGQRPRVAJU-UHFFFAOYSA-N;144.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373207;MM373207;N#CCOC1CC1(F)C#N;MTJIEGVRAMCFQV-UHFFFAOYSA-N;140.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373208;MM373208;CCON=CCC(=N)NN;YWXHDDXFWJMRSO-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373209;MM373209;C=CC1(C)CC1ONC=N;SVQREHOOLOIXCM-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373210;MM373210;CCON=CCC(=N)NO;NMZNDESMMYTHCE-UHFFFAOYSA-N;145.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373211;MM373211;C=C(CC=NOCC)OC;JJEBZKNHSAODEZ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373212;MM373212;C=CC1(O)CC1ONC=N;ZFNVIXKJXBKRQN-UHFFFAOYSA-N;142.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373213;MM373213;N=C(CN)NC=CCCN;TYIKULASNVDXHT-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373214;MM373214;C=CC1(F)CC1ONC=N;UWRGIKHFNHHWJA-UHFFFAOYSA-N;144.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373215;MM373215;N=C(CO)NC=CCCN;CMHJRIUJJGAFDW-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373216;MM373216;N=CNOC1CC1(F)C=O;DPCOAACHZCZIEQ-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373217;MM373217;N=C(CO)NC=CCCO;HCBCDXZGTDLEMQ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373218;MM373218;C=CC1(C)NC1CCC#N;CWXGVJHLVJZDEB-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373219;MM373219;N=C(CO)NC=CCCF;XODGAVRQVAHFPZ-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373220;MM373220;C=CCCC1NC1(C)C=O;OWDOJGBVFYEPIO-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373221;MM373221;N=C(CF)NC=CCCN;HEVFGVPHRKAWDC-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373222;MM373222;C=CCCC1NC1(C)C#N;MHPWGEIRPCDNQM-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373223;MM373223;NCCC=CNC(=O)CO;IRIPCIBWKILVNB-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373224;MM373224;CCC1C=CC(CO)C1C;RWCQFYUELVHYLX-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373225;MM373225;O=C(CO)NC=CCCF;SNFKWLGQFRJCRT-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373226;MM373226;CC1(C=O)NC1CCC#N;NEOQOPHDCPGJRP-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373227;MM373227;CCCC=CNC(=O)CF;VCWBCEMVAAMYRU-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373228;MM373228;CCC#CCNN=CC=O;XPSXGXXEJRZMFT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373229;MM373229;O=C(CF)NC=CCCO;LHYVHVBXPMPOCN-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373230;MM373230;CC1(C#N)NC1CCC#N;KHTUWJZXYUMICZ-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373231;MM373231;CCC(=N)NC=CCNC;VYPJOMWMQUVNEO-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373232;MM373232;CC1(C=O)NC1CN=CN;HIFUIQJXIHRMKY-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373233;MM373233;CNCC=CNC(=N)CF;BREHLBDYDOTIHB-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373234;MM373234;CC1(C#N)NC1CNC=N;FRDZVTQXLKAYJW-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373235;MM373235;CCC(=N)NC=CCOC;OEPNPEOBWDWVTM-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373236;MM373236;CCC#CC1C(C=O)N1C;DUCLGVGPCBWFAU-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373237;MM373237;COCC=CNC(=N)CN;FJYDOLNTSFPHBZ-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373238;MM373238;C=NNCC1NC1(C)C=O;WMMACTHTJYILPO-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373239;MM373239;COCC=CNC(=N)CO;KQDUKOFAGHYZID-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373240;MM373240;C=NN1CC1CCCC=O;FMKOOSNLNQJSIK-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373241;MM373241;COCC=CNC(=O)CO;QAKKNEIOMMCEKU-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373242;MM373242;C=COCC1NC1(C)C=C;HTBIHRRVGGHTAH-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373243;MM373243;CCOC=CNC(=N)CC;LYVLBUMBQALDSD-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373244;MM373244;CCOC=CNC(=N)CN;NBPSBBOBIPUYOE-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373245;MM373245;C=COCC1NC1(C)C#N;YHOQJHCCBYJYCS-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373246;MM373246;CCOC=CNC(=O)CC;FUBLBKGSJCZFRJ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373247;MM373247;C=NOCC1NC1(C)C#N;RXHRMFBOQGSEKK-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373248;MM373248;CCOC=CNC(=O)CO;PTKCDYIBUIVZQF-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373249;MM373249;C=CCCC1OC1(C)C=C;DAOHMBXWQCSLLY-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373250;MM373250;CCOC=CNC(=O)CF;PSPMTZOYPBZPHU-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373251;MM373251;C=CC1(C)OC1CCC=O;WJYOLPSTXQVAMR-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373252;MM373252;CCCC=CNC(=N)NC;ZVDUVEZBXKKFFW-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373253;MM373253;C=CC1(C)OC1CCC#N;UKFAERFUXHCNNZ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373254;MM373254;CNC(=N)NC=CCCO;WCSFMVGBCCPDEO-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373255;MM373255;C=CCCC1OC1(C)C=O;SGTILRDFRNUSOY-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373256;MM373256;N=C(NN)NC=CCCF;KBVGOWRQNNVVHP-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373257;MM373257;C=CCCC1OC1(C)C#N;MINFKJVAIBRPSB-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373258;MM373258;CCCC=CNC(=N)NO;RTOMUNADYJMRNK-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373259;MM373259;CC1(C=O)OC1CCC=O;WFRNCFRHSAPTGY-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373260;MM373260;N=C(NO)NC=CCCN;AYCVWEUYSVIGJO-UHFFFAOYSA-N;144.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373261;MM373261;CC1(C=O)OC1CCC#N;ZNDDIZZCLUHFQU-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373262;MM373262;N=C(NO)NC=CCCO;VJBCXZOKGGFVOO-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373263;MM373263;CC1(C#N)OC1CCC=O;YEOCERKRLZIKRY-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373264;MM373264;N=C(NO)NC=CCCF;LEJFBKKCOUUQTA-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373265;MM373265;CC1(C#N)OC1CCC#N;PTBWYCCNOSQZJA-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373266;MM373266;CCCC=CNC(=O)NC;MGURRASXHULVTQ-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373267;MM373267;C=CC1COC(NN)=NN1;IVCBILNCVHUHDZ-UHFFFAOYSA-N;142.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373268;MM373268;CNC(=O)NC=CCCN;RGJFQXSXSDQBSS-UHFFFAOYSA-N;143.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373269;MM373269;C=CC(O)CC(C)C;AZAKXXGZWJWZLN-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373270;MM373270;CNC(=O)NC=CCCO;VRAFTXAGLPTKTI-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373271;MM373271;C=COCC1OC1(C)C#N;YCHXPMCEVYIACP-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373272;MM373272;CC=C1C=CC2(O)CC2C1;YEMRGFCCMDHNKL-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373273;MM373273;C=NOCC1OC1(C)C=O;NAMRUPLIYJYIMH-UHFFFAOYSA-N;143.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373274;MM373274;CCCC=CNC(=O)NO;WQHJGLVDRFHSHU-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373275;MM373275;CCC(O)C=C(C)C;SMKXEJCDVREDQY-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373276;MM373276;NCCC=CNC(=O)NO;PMSZOEGJLJVLPB-UHFFFAOYSA-N;145.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373277;MM373277;C=CC1(C)CN1CCC#N;MWFXWTWLWVQYKF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373278;MM373278;O=C(NO)NC=CCCO;GIZGTLRRZMAODR-UHFFFAOYSA-N;146.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373279;MM373279;C=CCCN1CC1(C)C=O;ADULNPRJMZXFFT-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373280;MM373280;CNCC=CNC(=N)NC;KPUSXXAJOXDBOA-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373281;MM373281;C=CCCN1CC1(C)C#N;JNBFYIBRESRAIP-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373282;MM373282;CNCC=CNC(=N)NO;SAKDUMRWOWFZEA-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373283;MM373283;CC1(C=O)CN1CCC#N;DJGGDISMLLCYOS-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373284;MM373284;CNCC=CNC(=O)NC;OXPMVMYBEVXHNN-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373285;MM373285;CC=CC(O)CCC;DODCYMXUZOEOQF-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373286;MM373286;CNCC=CNC(=O)NN;XJPVTLLECOLKFS-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373287;MM373287;CC1(C#N)CN1CCC#N;NJVCVFQHDYWDPM-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373288;MM373288;CNCC=CNC(=O)NO;WOQZPZIFXSYOFI-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373289;MM373289;C#CCCC1CC1(C)C=C;KGCKPEUJLZFRNC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373290;MM373290;CNC(=N)NC=CCOC;HOUSRQXNQHUDRA-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373291;MM373291;C#CCCC1CC1(C)C=O;UHYNXLLSLHQDAS-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373292;MM373292;COCC=CNC(=N)NN;DBIAJAAOJXMVSX-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373293;MM373293;C#CCCC1CC1(C)C#N;FZSXMOCOBZLYIW-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373294;MM373294;OC12C=CC(=CF)CC1C2;SJZQXSPKYRIWFG-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373295;MM373295;C#CCCC1CC1(N)C=C;MJQWFAFYKXERHD-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373296;MM373296;CCOC=CNC(=N)NN;TUSPBSKIBGTUQH-UHFFFAOYSA-N;144.18;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373297;MM373297;C=C(C(C)C)C(C)O;LSAUOCABZAKIJI-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373298;MM373298;CCOC=CNC(=N)NO;BZIKOVBAJZYIHB-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373299;MM373299;C#CCCC1CC1(O)C=O;BXIPKMSOKJEXOC-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373300;MM373300;C=CCC(C=O)CN1CC1;VXWAYCOMQAPWAB-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373301;MM373301;C#CCCC1CC1(O)C#N;NYTKRPMLQVWRBQ-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373302;MM373302;CCOC=CNC(=O)NO;TYXCSXLEYCNTJL-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373303;MM373303;C#CCCC1CC1(F)C=C;XLSRLVNIDMHKIK-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373304;MM373304;CCCC=CNC(=O)OC;WKNFSRXXYSKKKZ-UHFFFAOYSA-N;143.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373305;MM373305;C#CCCC1CC1(F)C=O;LSGNWOBHSQRSTR-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373306;MM373306;C=C(CC)N=CNCCF;QCZXGTQVFDBVHU-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373307;MM373307;C#CCNC1CC1(C)C=C;DNZGFKFNVDLHQC-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373308;MM373308;C=C(CN)NC=NCCN;KZBULZDGTCVNQK-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373309;MM373309;C#CCNC1CC1(C)C=O;LHWRQRXRJSRZMO-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373310;MM373310;C=C(CO)NC=NCCO;DXFHTFQRCSKIAR-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373311;MM373311;C#CCNC1CC1(N)C=C;XYGUTNUQMJMEBT-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373312;MM373312;CCCN=CNC(=N)CC;UPZKXSYIVHBQDL-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373313;MM373313;C#CCNC1CC1(F)C#N;BTKCGQAZNIXWMG-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373314;MM373314;CCC(=N)NC=NCCO;QHMGIRKDYGGDKI-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373315;MM373315;C#CCOC1CC1(C)C=C;OIXJCZYAPDBKLK-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373316;MM373316;N=C(CN)NC=NCCN;XTXUQEMVBZQHEG-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373317;MM373317;C#CCOC1CC1(C)C=O;MHMPJMXFGPIHLQ-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373318;MM373318;N=C(CO)NC=NCCF;SIOWXYRXEIOURM-UHFFFAOYSA-N;147.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373319;MM373319;C#CCOC1CC1(C)C#N;YHNAKZQNKQRLDT-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373320;MM373320;CCCN=CNC(=O)CO;SHBMGBFGOUXGSH-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373321;MM373321;C#CCOC1CC1(N)C=C;QTZWPJCPFOKPNG-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373322;MM373322;NCCN=CNC(=O)CO;BDXREKWKSWTCEA-UHFFFAOYSA-N;145.16;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373323;MM373323;C#CCOC1CC1(O)C=O;JDGCRMWCPHAGLP-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373324;MM373324;C#CCOC1CC1(F)C=C;MKQOSSDOXIGUAL-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373325;MM373325;O=C(CO)NC=NCCO;BNICWKOHUTVBBK-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373326;MM373326;C#CCOC1CC1(F)C#N;NVHTUIHEHDSASV-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373327;MM373327;O=C(CF)NC=NCCF;ZXZKJUSXCFTRBO-UHFFFAOYSA-N;150.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373328;MM373328;C#CCCC1NC1(C)C=O;LQTPEQKLCSUUIG-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373329;MM373329;CCNN=CNC(=O)CO;IUFJADZFCIQHCM-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373330;MM373330;CCON=CNC(=N)CC;DLBGKXJQZATTOK-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373331;MM373331;C#CCCC1NC1(C)C#N;FBUJQGGFCOOJEG-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373332;MM373332;CNC(=N)NC=NCCF;UHEALWVFNVMQJT-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373333;MM373333;C#CCCC1OC1(C)C=C;LNZTXJAKNDZTHJ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373334;MM373334;C#CCCC1OC1(C)C=O;IWZQOPIKSIFVHY-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373335;MM373335;N=C(NN)NC=NCCO;ANMNVQZGERNSNX-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373336;MM373336;N=C(NO)NC=NCCN;AIVGWZKLOWGJOP-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373337;MM373337;C#CCCC1OC1(C)C#N;DSLGGOHFYCXYEO-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373338;MM373338;CNC(=O)NC=NCCN;KEADIIFYTLEAQW-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373339;MM373339;C#CCCN1CC1(C)C=C;KVRKCMKZSVNXNL-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373340;MM373340;CC=C1C=CC(O)CC1C;SOBNKLSMEBJWMW-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373341;MM373341;C#CCCN1CC1(C)C=O;RBPXGTAMXDJVCI-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373342;MM373342;C#CC1C=NN(C=O)C1=C;PLAPGERWHGVXBP-UHFFFAOYSA-N;134.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373343;MM373343;C#CCCN1CC1(C)C#N;AUSDFJGBNFYHMK-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373344;MM373344;C#CC1NN=C(C=O)C1C;ZCOQBSUUOUSEPC-UHFFFAOYSA-N;136.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373345;MM373345;C#CC1(C)CC1CCCC;OJKZZICVKDFVGR-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373346;MM373346;NCCN=CNC(=O)NO;DHWKUPZGTHXPFB-UHFFFAOYSA-N;146.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373347;MM373347;C#CC1(C)CC1CCCN;ZCPIEOOAVJTSEJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373348;MM373348;O=C(NO)NC=NCCO;JPJULBMAWMRADA-UHFFFAOYSA-N;147.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373349;MM373349;C#CC1(C)CC1CCCO;ZLSIDGYFTIVGLL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373350;MM373350;C#CC1(N)CC1CCCC;DFNMEYSBEZYKFK-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373351;MM373351;O=C(NO)NC=NCCF;QOQWOPDOHBOHBJ-UHFFFAOYSA-N;149.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373352;MM373352;C#CC1(N)CC1CCCN;FDZUESOBYPBDPP-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373353;MM373353;CCNN=CNC(=N)NC;UOVMUJFPENKBKL-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373354;MM373354;C#CC1(N)CC1CCCO;JDZGDHXSIHWUAB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373355;MM373355;CCNN=CNC(=N)NN;QGUCZSVZECLNQR-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373356;MM373356;C#CC1(O)CC1CCCC;KQIRSSWAROXSHF-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373357;MM373357;CCNN=CNC(=N)NO;HKCFZZXNTSMBGP-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373358;MM373358;C#CC1(O)CC1CCCN;OLOZEZYTDSJUST-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373359;MM373359;CCNN=CNC(=O)NC;YULNKDPHZAFNTN-UHFFFAOYSA-N;144.18;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373360;MM373360;C#CC1(O)CC1CCCO;VCLDUTCNRCPNTG-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373361;MM373361;CCNN=CNC(=O)NN;ICMPOGRBULXRJP-UHFFFAOYSA-N;145.17;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373362;MM373362;C#CC1(F)CC1CCCC;MGWCBDHQGVTYMJ-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373363;MM373363;CCNN=CNC(=O)NO;COCOIQJYSJESFT-UHFFFAOYSA-N;146.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373364;MM373364;C#CC1(F)CC1CCCN;FCQFYFPYYXGLOF-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373365;MM373365;C=C(NC=NCCC)OC;NFLIRAPWGWZWCI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373366;MM373366;C#CC1(F)CC1CCCO;XOMPCOJFFYGYDJ-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373367;MM373367;C=C(N=CNCCN)OC;RBICIEKEGFIDKU-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373368;MM373368;C#CC1(C)CC1CCNC;PVXGCVSSNJVWLR-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373369;MM373369;COC(=O)NC=NCCN;RCVXHNBQUNVSIV-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373370;MM373370;C#CC1(N)CC1CCNC;WJXCCPKDOKMXJO-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373371;MM373371;COC(=O)NC=NCCO;LOYXGNAAIPDIPE-UHFFFAOYSA-N;146.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373372;MM373372;C#CC1(C)CC1CNCC;JWEDXVSSIKVHMH-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373373;MM373373;C#CC=C1C=CC(O)C1C;WXUPMNCWVHOVMY-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373374;MM373374;C#CC1(N)CC1CNCC;XSRBSABFUMTYET-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373375;MM373375;CCNN=CNC(=O)OC;IJZCTMYCBZXOOH-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373376;MM373376;C#CC1(O)CC1CNCC;IFQTWRDPFCKYRT-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373377;MM373377;C=C(NC=NOCC)OC;CAYUPTXMIRVCCN-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373378;MM373378;C#CC1(F)CC1CNCC;FXKKEESKMJSXQC-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373379;MM373379;CCON=CNC(=O)OC;AXQDAFOPLIAEKP-UHFFFAOYSA-N;146.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373380;MM373380;C#CC1(C)CC1COCC;VXDKJMIAMMPUMR-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373381;MM373381;CCC1=CCC(CO)C=C1;HYWVCYHHQGZWHB-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373382;MM373382;C#CC1(C)CC1NCCC;IIPQNAKMCGTIFX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373383;MM373383;N=C(CO)NN=CCCN;WHSMLDKQISHFCA-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373384;MM373384;C#CC1(C)CC1NCCN;PCBKXTDIWRUXRJ-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373385;MM373385;N=C(CF)NN=CCCN;DDDIAJDJFSBBDT-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373386;MM373386;C#CC1(C)CC1NCCO;BSPYALUTWRXRTM-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373387;MM373387;CCCCC(C)O;QNVRIHYSUZMSGM-UHFFFAOYSA-N;102.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373388;MM373388;C#CC1(N)CC1NCCC;BSUKVIRQVCHOLI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373389;MM373389;CCC(=O)NN=CCCO;ZUHXJUUPTFWESH-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373390;MM373390;C#CC1(N)CC1NCCN;JGYNIVKSBYIUCO-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373391;MM373391;CCCC=NNC(=O)CO;GAVYXPKADGRWOQ-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373392;MM373392;C#CC1(N)CC1NCCO;NERNWUIZQVCGDZ-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373393;MM373393;NCCC=NNC(=O)CO;JZWKAFIVULPRBP-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373394;MM373394;C#CC1(O)CC1NCCN;DABKOADGAINNTC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373395;MM373395;NCCC=NNC(=O)CF;LOSSISOVGDRMAB-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373396;MM373396;C#CC1(C)CC1OCCN;OERXUYPFBWIQLC-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373397;MM373397;CNCC=NNC(=O)CN;HAGLBZWGCWHFLG-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373398;MM373398;C#CC1(O)CC1OCCC;MAMGTETZSRZBSM-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373399;MM373399;CCOC=NNC(=O)CC;ZDQGHNNMKCBAID-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373400;MM373400;C#CC1(O)CC1OCCN;ACRKYKFFCGIBPZ-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373401;MM373401;N=C(NN)NN=CCCO;STLXQZRTUJYORA-UHFFFAOYSA-N;145.17;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373402;MM373402;C#CC1(O)CC1OCCO;MDBHNSZZVNRMQU-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373403;MM373403;N=C(NO)NN=CCCN;NIYNABRXLKVIST-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373404;MM373404;C#CC1(F)CC1OCCC;NKLCYZCBYXGYMQ-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373405;MM373405;CCCC=NNC(=O)NC;ONPLWKLTXRQQBK-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373406;MM373406;C#CC1(F)CC1OCCN;UGKYCXKPEBNGAM-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373407;MM373407;CNC(=O)NN=CCCF;CXGIDLMOMHXBEM-UHFFFAOYSA-N;147.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373408;MM373408;C#CC1(F)CC1OCCO;MYZXPTUDBZZQGU-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373409;MM373409;NNC(=O)NN=CCCO;HVRWIARAURJANQ-UHFFFAOYSA-N;146.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373410;MM373410;C#CC1(C)CC1OCOC;WECMPSOJFDKZGL-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373411;MM373411;C#CC1(C)NC1CCCC;YZTYRJJULCUGHL-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373412;MM373412;O=C(NO)NN=CCCO;SIOSKIMETZIQQF-UHFFFAOYSA-N;147.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373413;MM373413;CC(C)=C(C)C(C)O;DSBVIGSSXNYQDP-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373414;MM373414;CNCC=NNC(=N)NC;VKDBCVNNDSIOFG-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373415;MM373415;C#CC1(C)NC1CCCF;YPVRTVZZIZWQLX-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373416;MM373416;CNCC=NNC(=N)NN;LHUSMRVTAJYGQB-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373417;MM373417;C#CC1(C)NC1CCNC;YKHVFSHYMKXWNL-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373418;MM373418;CNCC=NNC(=O)NC;MXLHVXHKUYOPSJ-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373419;MM373419;C#CC1(C)NC1CNCC;VJWDWCYEGQXAAI-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373420;MM373420;CNCC=NNC(=O)NN;DZDBNKLZFQFILF-UHFFFAOYSA-N;145.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373421;MM373421;C#CC1(C)NC1COCC;YZRIPBSWAWCQRC-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373422;MM373422;CNCC=NNC(=O)NO;FGRDFBNQQWHFMQ-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373423;MM373423;C#CC1(C)OC1CCCC;JYABTGNBFKBMBX-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373424;MM373424;COCC=NNC(=N)NN;YVOYBYGFKOJHSH-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373425;MM373425;C#CC1(C)OC1CCCN;DVHQARHGGKFNKU-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373426;MM373426;C=C(C)C(C)CO;OSUIFWPTEFZCMB-UHFFFAOYSA-N;100.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373427;MM373427;C#CC1(C)OC1CCNC;OAHTYHGOPPOZNJ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373428;MM373428;CCCCCC(C)O;CETWDUZRCINIHU-UHFFFAOYSA-N;116.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373429;MM373429;C#CC1(C)OC1CNCC;SNIFGTYTNJCJMH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373430;MM373430;CNCC=NNC(=O)OC;HDODHNDXZYGXBA-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373431;MM373431;C#CC1(C)CN1CCCC;AHEBSFOGACEQTA-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373432;MM373432;CC(O)CCCCF;DDDYBUYCNSDUFA-UHFFFAOYSA-N;120.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373433;MM373433;C#CC1(C)CN1CCCN;UFSKOEKZNWCECY-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373434;MM373434;C=C(CC)OC=CCCC;KGZGIDQUXXKAHA-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373435;MM373435;C#CC1(C)CN1CCOC;QPZADXYEAIQIKR-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373436;MM373436;C=C(CN)OC=CCCN;JWDKCUBAWUGFDE-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373437;MM373437;C#CC1(C)CC1CCC=C;ICYBDNAKDNBELT-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373438;MM373438;C=C(CO)OC=CCCC;IASRNGNAFGGNFE-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373439;MM373439;C#CC1(C)CC1CCC=O;FNUAWPLBQLZKLY-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373440;MM373440;CCC(=O)OC=CCCN;VISKBNSOQAGSAI-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373441;MM373441;C#CC1(C)CC1CCC#N;XLRPURBSTSGNCP-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373442;MM373442;CCC(=O)OC=CCCO;WDKYTOXTCBKYHI-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373443;MM373443;C#CC1(N)CC1CCC=C;IJWVBFJFDGNKQA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373444;MM373444;CCCC=COC(=O)CO;PLDONUNVZIDFDK-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373445;MM373445;C#CC1(O)CC1CCC=C;QPMHFBKQDLMZJI-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373446;MM373446;O=C(CO)OC=CCCO;DVENFONWMUKXAJ-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373447;MM373447;C#CC1(O)CC1CCC=O;DMMDLYKCCKEXRB-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373448;MM373448;O=C(CO)OC=CCCF;NJHJPWAYOXWXEC-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373449;MM373449;C#CC1(O)CC1CCC#N;DVTHCHBWYUEKLH-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373450;MM373450;CCCC=COC(=O)CF;MNJOHPWWYPZLOT-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373451;MM373451;C#CC1(F)CC1CCC=C;DTNMQGBWGNIBKY-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373452;MM373452;C=C(CF)OC=CCNC;UQCUPLNVPOUTLY-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373453;MM373453;C#CC1(F)CC1CCC=O;MQWWOIBVJOXCHN-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373454;MM373454;CNCC=COC(=O)CO;JQGJNKWLCAPAPN-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373455;MM373455;C#CC1(F)CC1CCC#N;UJVMASMILANJOR-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373456;MM373456;COCC=COC(=O)CF;AFLUOSTWWKQXHJ-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373457;MM373457;C#CC1(C)CC1CNC=N;FMTQHEHMBXKYRQ-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373458;MM373458;C=C(CC)OC=COCC;YBQAHSHCVGKEJN-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373459;MM373459;C#CC1(O)CC1CNC=O;DHJROCJEAGJZOR-UHFFFAOYSA-N;139.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373460;MM373460;C=C(CN)OC=COCC;HTVLNUZLDQMWQA-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373461;MM373461;C#CC1(F)CC1CNC=O;HMYSGEPDDNPJGY-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373462;MM373462;C=C(CO)OC=COCC;BWPUSEUXJFAAFL-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373463;MM373463;C#CC1(C)CC1CNN=C;ZFUZNQUHRNNYTR-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373464;MM373464;CCOC=COC(=O)CO;XYXVFGSELIWSKE-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373465;MM373465;C#CC1(N)CC1CNN=C;AVEBEDVIRPTXRQ-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373466;MM373466;CCOC=COC(=O)CF;RRZAVHVYHVOLBW-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373467;MM373467;CC=C(CC)C(C)O;PVCQESFACCIIOU-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373468;MM373468;CCCC=COC(=O)OC;CQHVAAZECRLSPY-UHFFFAOYSA-N;144.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373469;MM373469;C#CC1(N)CC1COC=C;WMTRWYMSKCBXAU-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373470;MM373470;COC(=O)OC=CCCF;JETPAHRXOBFPCI-UHFFFAOYSA-N;148.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373471;MM373471;C#CC1(O)CC1COC=C;WUBDOOBXXLZTPN-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373472;MM373472;COCC=COC(=O)OC;VERKLKJVCWTKSG-UHFFFAOYSA-N;146.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373473;MM373473;C#CC1(O)CC1COC=O;SIVCKIFYOFJSBZ-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373474;MM373474;C#CC1CC1(C)CO;HZNNFZRPDXEHSP-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373475;MM373475;C#CC1(N)CC1CON=C;SPIZYLYCRCBKIJ-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373476;MM373476;CCNN=COC(=O)CO;KBUYPCVDCRDKMG-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373477;MM373477;C#CC1(C)CC1NCC#N;LUYASYZFZDJFOF-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373478;MM373478;CCNN=COC(=O)NN;PBPCQMPAUPYPGW-UHFFFAOYSA-N;146.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373479;MM373479;C#CC1(N)CC1NCC=C;MDCFRXTXTJDABX-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373480;MM373480;CCON=COC(=O)OC;ULACLANDCYCQBH-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373481;MM373481;CCC(=O)ON=CCCN;WXGDXQXXTRWRDI-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373482;MM373482;C=C(CC(C)O)C(C)C;FWCSOVHOFGTJCT-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373483;MM373483;O=C(CO)ON=CCCO;LZUGYCWXGUMSNA-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373484;MM373484;CC(C)=C(C)CC(C)O;DVCYWPNPDVDRSJ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373485;MM373485;CNCC=NOC(=O)CO;IVLXXWFTEAXFFG-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373486;MM373486;C#CC1(F)CC1NCC#N;MPXZOAIVQMHTHO-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373487;MM373487;COCC=NOC(=O)CO;XROQQIJTIXAOJK-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373488;MM373488;CC#CC(C)CC(C)O;BIRGZBYBUVVGCN-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373489;MM373489;CCOC=NOC(=O)CF;PMHICHZWCMGTSX-UHFFFAOYSA-N;149.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373490;MM373490;C#CC1(N)CC1NNC=N;OREXTQGCBHKIAX-UHFFFAOYSA-N;138.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373491;MM373491;CC(C)C=CC(C)(C)O;ROJRZCRPYFNRST-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373492;MM373492;C#CC1(O)CC1NNC=N;BWAHRVBTIOYNGU-UHFFFAOYSA-N;139.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373493;MM373493;C=C(C)CC1(C)CC1O;FZSWXVCLTNLVJQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373494;MM373494;C#CC1(F)CC1NNC=N;SKXFGXZDKDWSNA-UHFFFAOYSA-N;141.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373495;MM373495;CCCC=NOC(=O)NN;SEZYAKLDUACCMG-UHFFFAOYSA-N;145.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373496;MM373496;C#CC1(F)CC1NNC=O;UJAMMVJKLASOQF-UHFFFAOYSA-N;142.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373497;MM373497;NNC(=O)ON=CCCO;PCQPTWLPTDCPIF-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373498;MM373498;C#CC1(C)CC1OCC=O;QJXGZMIJXOBMSU-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373499;MM373499;C#CC(C)(C#C)C(C)O;URRRCPJXJLZNTE-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373500;MM373500;C#CC1(C)CC1OCC#N;ZUASBUBGNJXBGZ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373501;MM373501;C=CC(C)CCC(C)O;LPPRFCNPBUVGGK-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373502;MM373502;C#CC1(O)CC1OCC#N;DBRISIFPMNQOQN-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373503;MM373503;CC1(C#N)CC(=O)CN1;NHDZWYXVGUXINT-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373504;MM373504;C#CC1(F)CC1OCC=C;VDRKEXOTZFHVRM-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373505;MM373505;CCC(CO)CC(C)C;QCHSJPKDWOFACC-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373506;MM373506;C#CC1(F)CC1OCC=O;GEHQOJMSRUBVHQ-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373507;MM373507;CNCC=NOC(=O)OC;DCEXEHGQKNITQL-UHFFFAOYSA-N;146.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373508;MM373508;C#CC1(F)CC1OCC#N;MYTOSMSKFWSHMZ-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373509;MM373509;CCOC=NOC(=O)OC;FNCKGQKMDZROIS-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373510;MM373510;C#CC1(O)CC1ONC=N;FWRYGFHHOXOHJS-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373511;MM373511;C=C(CC)CC=CCC#N;CEBXASMRALMHQJ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373512;MM373512;C#CC1(C)NC1CCC=C;MZUUDWHIMGUEGV-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373513;MM373513;C=CCC=CCC(=C)CO;PFEAHERTKZATKG-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373514;MM373514;C#CC1(C)NC1CCC#N;NMNMXLGYFXULEL-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373515;MM373515;C=C(CO)CC=CCC=O;ISIAVUBZDYMRAR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373516;MM373516;C#CC1(C)NC1COC=C;QJAHRCJHMCXQFZ-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373517;MM373517;C=C(CO)CC=CCC#N;KOHGZGFAKDFTMM-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373518;MM373518;C#CC1(C)OC1CCC=C;WCGHBEIJQSSAHC-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373519;MM373519;C=CCC=CCC(=O)CC;UPHPZYKDGOUWPS-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373520;MM373520;C#CC1(C)OC1CCC=O;ZWBXBOODKYVSFA-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373521;MM373521;C=C(CC)CC=CNC=N;SAZQECJNVFYEFM-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373522;MM373522;C#CC1(C)OC1CCC#N;QBBLFTMPQZRHQQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373523;MM373523;C=C(CO)CC=CNC=N;MNEWUYDBMPZIGX-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373524;MM373524;C#CC1(C)OC1CNC=N;VAUMTYJOQIVDAC-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373525;MM373525;O=CNC=CCC(=O)CO;GQKZJQPEGPRQKY-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373526;MM373526;C#CC1(C)OC1COC=C;GPEAWYAVFQUJQR-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373527;MM373527;C=COC=CCC(=C)CC;BXGWXELKGZUWCI-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373528;MM373528;C#CC1(C)OC1CON=C;GFPLDWAAXCWRNG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373529;MM373529;C=COC=CCC(=C)CO;XFWWNYQDKZGUCR-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373530;MM373530;C#CC1(C)CN1CCC=C;SQCHMQMDQYVSBH-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373531;MM373531;C=C(CO)CC=COC=O;GLVNBFXODWKVEW-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373532;MM373532;CC(=O)C1NC1(C)C=O;SFFHEHTVASPFHR-UHFFFAOYSA-N;127.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373533;MM373533;CCC(=O)CC=COC=O;PGMZCXOUVRUQIC-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373534;MM373534;C#CC1(C)CN1CCC#N;WVNDMRBUZBURME-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373535;MM373535;O=COC=CCC(=O)CO;KIUAQCQYQSFSER-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373536;MM373536;C#CCCC1CC1(C)C#C;BZOBPULFNSZJCQ-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373537;MM373537;C#CCCC1CC1(N)C#C;KMYIVDZLVNWGAQ-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373538;MM373538;CNC(=N)CC=CCC#N;MNVLYVAFUBGQEM-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373539;MM373539;C=CCC=CCC(=N)NN;PYTLCZSTISIRTQ-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373540;MM373540;C#CCCC1CC1(O)C#C;KCIHLOPMDXAJAR-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373541;MM373541;C=CC(CO)CC(=C)C;OPDDYBBDWNMLJH-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373542;MM373542;C#CCCC1CC1(F)C#C;MDFHQDZZANMECP-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373543;MM373543;C=CCC=CCC(=O)NC;DZWCPVRPFOITHD-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373544;MM373544;C#CCNC1CC1(C)C#C;PPGWIGAAONMEPJ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373545;MM373545;N#CCC=CCC(=O)NO;XLCGADCFVSRZGZ-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373546;MM373546;C#CCNC1CC1(N)C#C;PTHDVECVVBYBSH-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373547;MM373547;CNC(=N)CC=CNC=O;CQGNKHOEMBEGBQ-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373548;MM373548;C#CCOC1CC1(C)C#C;WXSKMRSGMOOXIU-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373549;MM373549;NC=NC=CCC(=O)NN;ODAKJRGBRYAUFJ-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nd";;;;;;;-1.11;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373550;MM373550;C#CCOC1CC1(O)C#C;JUSKSTQHVPKEHJ-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373551;MM373551;C=COC=CCC(=N)NC;TYACATQEVIBOQO-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373552;MM373552;C#CCOC1CC1(F)C#C;MKZCJWSXXZIXTR-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373553;MM373553;C=COC=CCC(=N)NN;IJTCGHGGNASADT-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373554;MM373554;C#CCCC1NC1(C)C#C;XOQBRNZDGVEJKI-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373555;MM373555;C=COC=CCC(=N)NO;UDGSKQUTJOKZPB-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373556;MM373556;C#CCCC1OC1(C)C#C;WDKBSNSVWKEPRG-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373557;MM373557;C=COC=CCC(=O)NC;PBFJOVKAGSALBR-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373558;MM373558;C#CCCN1CC1(C)C#C;LEHFKBPUWQZAQQ-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373559;MM373559;CC(C)(O)C=CC1CC1;LQZYICTWPMJULH-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373560;MM373560;CC=CCC1CC1(C)CC;NXVYRNMUYFRAMK-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373561;MM373561;C=C(CC=CCC=O)OC;OTZGONFKFCCOQP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373562;MM373562;CC=CCC1CC1(C)CN;OSPXXTPGDCEERF-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373563;MM373563;COC(=O)CC=CCC=O;SWOPWNNUJARCLH-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373564;MM373564;CC=CCC1CC1(C)CF;MTTXJCIJLASQLS-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373565;MM373565;COC(=O)CC=CNC=O;OBUZZTJNJYWDNA-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373566;MM373566;CC=CCC1CC1(N)CC;GQFTUKUIYQTYAH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373567;MM373567;C=C(CN)CC=NNC=N;LTTFDXPFTQYVPX-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373568;MM373568;CC=CCC1CC1(N)CN;FTNGJKARCHXEME-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373569;MM373569;C=C(CN)CC=NNC=O;KDNRCTKUENSBSX-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373570;MM373570;NCC1(N)CC1CC=CF;SOJCQIXAARHLRT-UHFFFAOYSA-N;144.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373571;MM373571;C=C(CO)CC=NNC=O;UMKAMNAJEOMNLL-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373572;MM373572;CC=CCC1CC1(N)CO;XKQXPTATBRWNNO-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373573;MM373573;CCCCCCC(C)O;SJWFXCIHNDVPSH-UHFFFAOYSA-N;130.23;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373574;MM373574;CC=CCC1CC1(N)CF;XZAYRVPEPWHUDR-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373575;MM373575;O=CNN=CCC(=O)CO;GYPHVNVVIRNJLY-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373576;MM373576;C#CC(CC)CC(C)O;QDKBSECELRFDGI-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373577;MM373577;C=C(CN)CC=NOC=O;HULVXNMZMDATQX-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373578;MM373578;CC=C(CC)CC(C)O;JFWRCPVIQUEHGQ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373579;MM373579;CNC(=N)CC=NNC=O;IFMRNZFVNLACQT-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373580;MM373580;CC=CCC1CC1(O)CN;SHKQXNIKYKVPCF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373581;MM373581;N=C(CC=NNC=O)NN;XGZWGVXTDQRRAY-UHFFFAOYSA-N;143.15;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373582;MM373582;CC=CCC1CC1(O)CO;FTEGOYGRIOYTCK-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373583;MM373583;N=C(CC=NNC=O)NO;NOESKCXTQQDFHW-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373584;MM373584;OCC1(O)CC1CC=CF;QPFNKQQSYTXWDQ-UHFFFAOYSA-N;146.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373585;MM373585;CC(O)CCCCCF;SMEXYHATZFOJJB-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373586;MM373586;CC=CCC1CC1(O)CF;FHHFRLOAOAPAQG-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373587;MM373587;C=CCCCCC(C)O;HSHUHVOEMVTVRS-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373588;MM373588;CC=CCC1CC1(F)CC;MDHKISCDYGKRQO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373589;MM373589;NC=NN=CCC(=O)NO;PKCZRAQYZLDJIQ-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373590;MM373590;CCC1(F)CC1CC=CF;LUAWPZASGDUVLZ-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373591;MM373591;CNC(=N)CC=NOC=O;TXRNQRMFDAWUFU-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373592;MM373592;CC=CCC1CC1(F)CN;HVHDIKQLOGTLDO-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373593;MM373593;N=C(CC=NOC=O)NN;CTLAOGOGAIUZJP-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373594;MM373594;NCC1(F)CC1CC=CF;BGSAPTDHGCTMGJ-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373595;MM373595;N=C(CC=NOC=O)NO;UVROCGHBNDYWKZ-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373596;MM373596;CC=CCC1CC1(F)CF;ZEJPSZBNPQTWIW-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373597;MM373597;CC(O)CCCCC=O;GOSPSGSNORWRSV-UHFFFAOYSA-N;130.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373598;MM373598;CCC1(C)CC1CC=NO;NDFQFOPFWWOOAC-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373599;MM373599;CC(O)CCCCC#N;JFVSMWVMWJLBJW-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373600;MM373600;CON=CNC(C)C=O;UZBQVDLNDWCSCL-UHFFFAOYSA-N;130.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373601;MM373601;C=C(CC=NNC=O)OC;PWCSLPDTYMBFAB-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373602;MM373602;CC1(CO)CC1CC=NO;FWARYJMZDSIYAE-UHFFFAOYSA-N;143.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373603;MM373603;COC(=O)CC=NNC=O;AVLZIMFYEXCPOK-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373604;MM373604;CC1(CF)CC1CC=NN;AMTAGGIASQMFRL-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373605;MM373605;C=C(CC=NOC=O)OC;PJJJWLJAGLVFME-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373606;MM373606;NCC1(N)CC1CC=NO;AIJFTTFPOSRKTC-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373607;MM373607;C=CNC=NCC(=C)CC;BYUGUIHBEHGDDZ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373608;MM373608;NC1(CO)CC1CC=NO;OPKZBEOUURJSBS-UHFFFAOYSA-N;144.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373609;MM373609;C=CNC=NCC(=C)CF;RNBZIXHJOPCLGI-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373610;MM373610;CNN=C(C#N)NNC;QUBORDIELPCSMQ-UHFFFAOYSA-N;127.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373611;MM373611;CCC(=N)NC=CCC#N;WQEJMEUELMBPJX-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373612;MM373612;CCC1(O)CC1CC=NO;DZGJLTUXXAZYAW-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373613;MM373613;N#CCC=CNC(=O)CO;DVQIFIQOYOGMTK-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373614;MM373614;CCC1C=C(C)C(O)C1;MJMWLXRGPCIUGM-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373615;MM373615;CCC(=N)NC=CNC=N;CAPYRWLMZMGAKI-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373616;MM373616;OCC1(O)CC1CC=NO;WKDKSUZXHCEJJG-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373617;MM373617;CCC(=N)NC=CNC=O;IMYYUONZRUQEMR-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373618;MM373618;CCC1=CC(O)C(C)C1;MFPAJWROSYJKKT-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373619;MM373619;N=CNC=CNC(=N)CN;URMLXMNTPRIBBK-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373620;MM373620;CCC1(F)CC1CC=NN;OHYFFAJNUSMDPH-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373621;MM373621;N=C(CN)NC=CNC=O;PRNDDUNCDAYPPO-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373622;MM373622;CCC1(F)CC1CC=NO;DFDRDZIULXNPJT-UHFFFAOYSA-N;145.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373623;MM373623;NCC1(F)CC1CC=NO;HCQSYGWPENPEOZ-UHFFFAOYSA-N;146.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373624;MM373624;N=CNC=CNC(=N)CO;UURXNKJOGWHKPI-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373625;MM373625;COc1cc(N)c(C)[nH]1;URQALDXRYDDFLG-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373626;MM373626;N=C(CO)NC=CNC=O;YWSOAWIKBIWQOI-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373627;MM373627;NN=CCC1CC1(F)CF;SFQGZZCBSXCDBF-UHFFFAOYSA-N;148.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373628;MM373628;N=CNC=CNC(=N)CF;JTMQWOQIJUTBFP-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373629;MM373629;CC=CCC1CC1(C)NC;VMJRTUJYRVBKHG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373630;MM373630;CCC(=O)NC=CN=CN;KCWWXKPOFUBJKE-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373631;MM373631;COC1(C)CC1CC=NO;LPFLMNDLXSSVDB-UHFFFAOYSA-N;143.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373632;MM373632;CCC(=O)NC=CNC=O;QMZMXXBKPDQELC-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373633;MM373633;CN=CNC1CC1(C)CN;MGFDKBREBXILBS-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373634;MM373634;NC=NC=CNC(=O)CN;XKRVLMYSRNJTBO-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373635;MM373635;CN=CNC1CC1(C)CO;KNKVNVSHICGWOP-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373636;MM373636;O=CNC=CNC(=O)CO;BHWVGSWZRDBHIH-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373637;MM373637;CN=CNC1CC1(C)CF;SUFZQLQWSUPLJG-UHFFFAOYSA-N;144.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373638;MM373638;O=CNC=CNC(=O)CF;GFFUVJGRCDXLKB-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373639;MM373639;CCC1(N)CC1N=CNC;LULCIQDBKOIFIX-UHFFFAOYSA-N;141.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373640;MM373640;C=COC=CNC(=N)CC;WBRKDTMOIWVWSG-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373641;MM373641;CN=CNC1CC1(N)CN;YUJFKPXVVSXDOW-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373642;MM373642;C=COC=CNC(=N)CN;DKRYOQZQPCJUIS-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373643;MM373643;CCC1(O)CC1N=CNC;DMYBHJWACSLDAF-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373644;MM373644;N=C(CN)NC=COC=O;MGVQTAOAWGKVCO-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373645;MM373645;CC#Cc1c[nH]c(N)c1;GMKLFHWLAVUCJJ-UHFFFAOYSA-N;120.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373646;MM373646;C=COC=CNC(=N)CO;HYSRQILHEYEEMR-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373647;MM373647;CCC1(F)CC1N=CNC;AXZOWDGFBOJXAN-UHFFFAOYSA-N;144.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373648;MM373648;N=C(CO)NC=COC=O;GXGOGTIFRWFEOB-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373649;MM373649;C=COC=CNC(=O)CO;DFDZMJMESIJQCS-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373650;MM373650;CC=NNC1CC1(C)CN;CEJLGSKVHATQOR-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373651;MM373651;O=COC=CNC(=O)CO;NJYWJKFALDEOLH-UHFFFAOYSA-N;145.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373652;MM373652;C=C(CC(C)O)C1CC1;QZLQQHHLSORRCV-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373653;MM373653;C=COC=CNC(=O)CF;URDKMJBAGDXMJG-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373654;MM373654;CC=NNC1CC1(C)CF;CNZICLACPYBNEZ-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373655;MM373655;C=CCC=CNC(=N)NC;BYJIMAWUKSACOT-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373656;MM373656;CC=NNC1CC1(N)CC;NYGGGSSKRHMFNL-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373657;MM373657;CC=NNC1CC1(N)CN;VRBQNHIADDMQPD-UHFFFAOYSA-N;142.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373658;MM373658;CNC(=N)NC=CCC=O;JUTUEPNUJPRXDC-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373659;MM373659;N=C(NO)NC=CCC=O;MIWNHRNZHYNZGY-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373660;MM373660;CC=NNC1CC1(N)CO;WEMSCSSBARLPNA-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373661;MM373661;N#CCC=CNC(=N)NO;VHLKJCDIHOGIIS-UHFFFAOYSA-N;140.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373662;MM373662;CC=NNC1CC1(O)CN;QDAUDKCHEJUFFS-UHFFFAOYSA-N;143.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373663;MM373663;CNC(=O)NC=CCC#N;VWQDUOBTEZBDQV-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373664;MM373664;C#CC1CCC(=C)C1O;VXCURYWOUYVNIW-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373665;MM373665;O=CCC=CNC(=O)NO;PALCOKSHKHDXFP-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373666;MM373666;CCC1C=CC(O)C1C;UGLLQXSAXDBJKL-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373667;MM373667;N#CCC=CNC(=O)NO;ZVMXFMNCGKWWLT-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373668;MM373668;CC=NNC1CC1(F)CC;MNDOAVOCTHCBMT-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373669;MM373669;N=CNC=CNC(=N)NN;HCQIZVHISCGHFY-UHFFFAOYSA-N;142.17;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373670;MM373670;CC=NNC1CC1(F)CN;HXHOWELWGFBWBM-UHFFFAOYSA-N;145.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373671;MM373671;N=C(NN)NC=CNC=O;YXRYZPFZFHGIAU-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373672;MM373672;CCC1=C(C)C(O)CC1;AOLKPNXLQJWHFX-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373673;MM373673;N=CNC=CNC(=N)NO;ORMJYNOVYXGVCS-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373674;MM373674;CN=CNC1CC1(C)NC;XVWPYKLZQXTKJS-UHFFFAOYSA-N;141.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373675;MM373675;N=C(NO)NC=CNC=O;XITDYXYRXSZDHT-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373676;MM373676;CNC1(C)CC1N=CNO;WLHWURZISNONIP-UHFFFAOYSA-N;143.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373677;MM373677;CNC(=O)NC=CNC=N;RZMBJDTVRNYYSR-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373678;MM373678;CC=NNC1CC1(C)NC;CHMNTDIRJUFFAK-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373679;MM373679;CNC(=O)NC=CNC=O;VGTZGAYOUAQYIX-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373680;MM373680;CNC=NC1CC1(C)OC;XMNQMNQJZOHMET-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373681;MM373681;C#CCCCCC(C)O;YAUCGNOJRISZRH-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373682;MM373682;COC1(C)CC1N=CNN;ZUFAIEQLULGTRK-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373683;MM373683;CC(C)C(C)C(C)CO;PAZDSSMTPLLLIR-UHFFFAOYSA-N;130.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373684;MM373684;CC=NNC1CC1(C)OC;PSWHVPMISBSMNP-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373685;MM373685;C=COC=CNC(=O)NO;YTGUMSPANNIWNI-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373686;MM373686;CC=COC1CC1(C)CC;GSQLJIMJZZNPOZ-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373687;MM373687;COC(=O)NC=CNC=O;RIRBARFJECVEGW-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373688;MM373688;CC=COC1CC1(C)CN;LYHYYYXRAWFNDJ-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373689;MM373689;C=CCNC=NC(=C)CC;QYFJJAQIVVFGDJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373690;MM373690;CC=COC1CC1(C)CO;XKVLMSOKBYVCGR-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373691;MM373691;C=C(CC)N=CNCC=O;CXKVOUKTKLFECV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373692;MM373692;CC=COC1CC1(C)CF;LYHWKDYNVMVVMX-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373693;MM373693;C=C(CC)N=CNCC#N;ZOTLMHQNYLFAPY-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373694;MM373694;CC=COC1CC1(N)CC;IZUWGRRAVRQWEC-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373695;MM373695;C=CCNC=NC(=C)CO;BVBDBVDBASIQJM-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373696;MM373696;CCC1(N)CC1OC=CF;BIVWJRSNXMQFEE-UHFFFAOYSA-N;145.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373697;MM373697;C=CCNC=NC(=C)CF;BBWXXIHIKNUENK-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373698;MM373698;CC=COC1CC1(N)CN;GCSOEPWZSMQENN-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373699;MM373699;C=CCN=CNC(=N)CO;VPXCRDDUAHBFEA-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373700;MM373700;CC=COC1CC1(O)CC;SLUQLCGDYXRKOA-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373701;MM373701;CCC(=O)NC=NCC=O;ZCONRLNCLCPDNZ-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373702;MM373702;N#CCN=CNC(=O)CO;TYLGJKKOFAEGAP-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373703;MM373703;CC=COC1CC1(O)CN;XAYTZJOZXBLYPJ-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373704;MM373704;CCC(=N)NC=NNC=N;MSBKOUXGBCQYHS-UHFFFAOYSA-N;141.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373705;MM373705;CC=COC1CC1(O)CO;NYJOEEJCTJEKPK-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373706;MM373706;CCC(=N)NC=NNC=O;HYYCVHRMVSLQDF-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373707;MM373707;CC=COC1CC1(F)CC;NFMNFONHMKTVDO-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373708;MM373708;C=C(C)C(=C)C(C)CO;FTEINQLJIUAGFB-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373709;MM373709;CC=COC1CC1(F)CN;GGEKYWRSYDISMK-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373710;MM373710;CCC(=O)NC=NNC=O;MVSLQBMLGNLVIC-UHFFFAOYSA-N;143.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373711;MM373711;CC=COC1CC1(F)CO;KNVIJFGLGQWYCO-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373712;MM373712;CC(O)C(C)CCC=O;AYHHLLOGTUYPPI-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373713;MM373713;NCC1(O)CC1OC=NO;YLKDUDCWKUAERD-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373714;MM373714;O=CON=CNC(=O)CO;FXTYEASBTAYIGS-UHFFFAOYSA-N;146.1;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373715;MM373715;CC=NOC1CC1(C)CN;YFOIXZMKVGUMPR-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373716;MM373716;C=CCN=CNC(=N)NN;KZNFZPOOMVCBAF-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373717;MM373717;CNc1[nH]nc(C)c1N;NEVALMUZMOLOFE-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373718;MM373718;C=CCN=CNC(=N)NO;KPHPWEJRKPCZHM-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373719;MM373719;CC=NOC1CC1(C)CF;AEIRSMXDYACVCX-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373720;MM373720;N=C(N=CNCC=O)NO;CZDDLANBNWDCCG-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373721;MM373721;CC=NOC1CC1(N)CN;BIWQCRUBWYTSCR-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373722;MM373722;CNC(=O)NC=NCC=O;FWZRGWYQQLHOEP-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373723;MM373723;CC=NOC1CC1(F)CC;CNGMIEPKVMIWAW-UHFFFAOYSA-N;145.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373724;MM373724;C=C(C)CC1C(C)C1O;HMKDYUMZAIJWRF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373725;MM373725;CC=NOC1CC1(F)CN;UTXRVZXTHQILIZ-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373726;MM373726;C=CCN=CNC(=O)NO;HZNFRJIOGQATAL-UHFFFAOYSA-N;143.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373727;MM373727;CC(=O)C1NC1CC#N;MDOXQCJSLQLFEP-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373728;MM373728;O=CCN=CNC(=O)NO;SRFALGKESFCOBU-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373729;MM373729;CC=NOC1CC1(F)CF;SQDQATXEXAVXKB-UHFFFAOYSA-N;149.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373730;MM373730;CNC(=N)NC=NNC=N;RFCMXFVBCLDUBT-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373731;MM373731;CC=COC1CC1(C)OC;ZWPMLELXJHVNEH-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373732;MM373732;N=CNN=CNC(=N)NN;SBRKPCOVARNCMJ-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373733;MM373733;COC1(C)CC1OC=CF;UAUWTKCZQRYVJI-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373734;MM373734;N=C(NN)NC=NNC=O;DFGSFPNVEMVDRX-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373735;MM373735;CC=NOC1CC1(C)OC;VYDFJWGJQNXNJL-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373736;MM373736;NNC(=O)NC=NNC=O;LVEZMYOMXDJUSX-UHFFFAOYSA-N;145.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373737;MM373737;CC=CCC1NC1(C)CN;VBIUTWZWQHITSM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373738;MM373738;O=CNN=CNC(=O)NO;WXBFTJJFWSDDTM-UHFFFAOYSA-N;146.11;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373739;MM373739;CC=CCC1NC1(C)CF;JTXRPPPYKCRTSF-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373740;MM373740;CNC(=N)NC=NOC=O;NSQYIOQZXIDLRB-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373741;MM373741;CC1(CF)NC1CC=CF;CTVGFPJIKMETSV-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373742;MM373742;CC(F)C(=NN)C(F)F;NGLTWQJXRRRDPK-UHFFFAOYSA-N;140.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373743;MM373743;CC1(CF)NC1CC=NN;RUYPUNWSDRQPPX-UHFFFAOYSA-N;145.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373744;MM373744;O=CON=CNC(=O)NO;DTCZMKALLIOYNA-UHFFFAOYSA-N;147.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373745;MM373745;C#CC1(CO)CCCC1;DKPDQRYNJJEBDZ-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373746;MM373746;C=CCNC=NC(=C)OC;JMYUROSOYPWGDY-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373747;MM373747;CC=CCC1OC1(C)CC;KOPKBMKNROVUAN-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373748;MM373748;CC(C=O)CC1CN1C;BKZIOYQYSJRWRK-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373749;MM373749;CCC1(C)OC1CC=CF;AOUCUXLPIVSVQV-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373750;MM373750;COC(=O)NC=NNC=O;CZFMKRMGLYJTNB-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373751;MM373751;CC=CCC1OC1(C)CN;OYVDQZWQCAQJFA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373752;MM373752;Nc1cn(C=O)nc1N;DYTNZHURGPUZDU-UHFFFAOYSA-N;126.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373753;MM373753;CC1(CF)OC1CC=CF;KCUCBKWIHOIMGP-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373754;MM373754;COC(=O)NC=NOC=O;HPSBLULYAZIXIH-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373755;MM373755;CCC1(C)OC1CC=NN;RAJPGQWVDFLZQR-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373756;MM373756;O=CCC=NNC(=O)CF;JKXCUALCKXFXGO-UHFFFAOYSA-N;146.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373757;MM373757;CC1(CN)OC1CC=NO;XOUPTTCPUBCHJR-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373758;MM373758;C=CNC=NNC(=O)CO;FVAFRUBLLCMVTI-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373759;MM373759;O=CC=NNC=CN=O;OPQMMXGRGGILBA-UHFFFAOYSA-N;127.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373760;MM373760;C=COC=NNC(=O)CC;VLPDWJNJBBMCBI-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373761;MM373761;CC1(CF)OC1CC=NN;HGVBVJHFRVFLGA-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373762;MM373762;CCC(=O)NN=COC=O;RTCUXVLSVDEBHW-UHFFFAOYSA-N;144.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373763;MM373763;CC1(CF)OC1CC=NO;WKQNYSCWVLJGIP-UHFFFAOYSA-N;147.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373764;MM373764;C=COC=NNC(=O)CO;HRPWQESLESPBMT-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373765;MM373765;CC=CCN1CC1(C)CN;UYLPPXMBXKUYML-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373766;MM373766;CNC(=N)NN=CCC=O;XSDWVCYMFZBDCE-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373767;MM373767;CN(C=O)C(=O)C1CN1;YHXCAYIOURVRDR-UHFFFAOYSA-N;128.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373768;MM373768;C=CN=CNNC(=N)NN;QICVTNJUBJNAPC-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373769;MM373769;CC=CCN1CC1(C)CF;HKLINQPBIIPOMC-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373770;MM373770;C=CN=CNNC(=N)NO;ZBTXVNFQZGBUHJ-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373771;MM373771;C=CC1(C)CC1CC=CC;RNKXLGCAIAAQNE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373772;MM373772;NNC(=O)NN=COC=O;PKNXHOMBQXGAKD-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373773;MM373773;CC=CCC1CC1(C)C=O;ZNVCYLCFYCRILG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373774;MM373774;O=COC=NNC(=O)NO;WJNZFSFGRYTTEQ-UHFFFAOYSA-N;147.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373775;MM373775;CC=CCC1CC1(C)C#N;SYTQWNGTRHWPCI-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373776;MM373776;C=CCC=COC(=C)CC;VVDGBFNYWPVSFL-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373777;MM373777;C=CC1(N)CC1CC=CC;VCAIHTUTKJZEKW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373778;MM373778;C=C(CF)OC=CCC#N;ZHGBYLHUIZPINY-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373779;MM373779;C=CC1(N)CC1CC=CF;KKHDXXNWZPOEMZ-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373780;MM373780;C=CCC=COC(=O)CC;SCBCMHOQZCTFHG-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373781;MM373781;C#CC(C)=CC(C)(C)CO;AMFUPVRRFBMJDS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373782;MM373782;C=C(CC)OC=CNC=N;YHMFMENFHKKCGB-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373783;MM373783;C=CC(C)(O)C=C(C)CC;JCKJQDJKKLGWHH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373784;MM373784;C=C(CC)OC=CNC=O;FVJYMULOYUNWNW-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373785;MM373785;CC=CCC1CC1(O)C=O;NXYARNPWEDMANV-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373786;MM373786;C=C(CO)OC=CNC=N;RVXLBHDGVSRBJR-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373787;MM373787;CC=CCC1CC1(O)C#N;YELVILVNINSSHF-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373788;MM373788;C=C(CF)OC=CNC=N;QZEDMMOFORAHDE-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373789;MM373789;C=CC1(F)CC1CC=CC;AEOMUVXLGQLJGE-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373790;MM373790;C=C(CF)OC=CNC=O;HOUNUOQXMUQYDA-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373791;MM373791;C=CC1(F)CC1CC=CF;PKNLXVHVCRBXEI-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373792;MM373792;CCC(=O)OC=CN=CN;KVNJCBMDAXCKCS-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373793;MM373793;CC=CCC1CC1(F)C=O;XIJULOGXMVXLBX-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373794;MM373794;NC=NC=COC(=O)CN;ATAYQRAOFVUWIJ-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373795;MM373795;CC=CCC1CC1(F)C#N;KUKFELGRARQPDO-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373796;MM373796;NC=NC=COC(=O)CO;VWEVWMMMFHRYBA-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373797;MM373797;O=CC1(F)CC1CC=CF;QTZHALQIQWDKDF-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373798;MM373798;O=CNC=COC(=O)CO;AHGARFBBQGYWAT-UHFFFAOYSA-N;145.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373799;MM373799;N#CC1(F)CC1CC=CF;KXEVJZQBONXUBK-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373800;MM373800;O=CNC=COC(=O)CF;VLTUIULESIOIMX-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373801;MM373801;C=CC1(C)CC1CC=NN;IZXXVLDFSZHDSZ-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373802;MM373802;C=COC=COC(=C)CC;JZJUPFVFRDVQMV-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373803;MM373803;C=COC=COC(=C)CN;HJNSUAZRQYIPDG-UHFFFAOYSA-N;141.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373804;MM373804;C=CC1(C)CC1CC=NO;XUWDNXXLNWFTKG-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373805;MM373805;CC(C)(O)CC#CCCF;FSMONUARKRTFQJ-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373806;MM373806;C=COC=COC(=C)CO;FXZMVDDFORLTFY-UHFFFAOYSA-N;142.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373807;MM373807;C=C(CF)OC=COC=O;TZGXPOWQKUPHBL-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373808;MM373808;C=CC1(F)CC1CC=NN;OBTBICHSXCPOMC-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373809;MM373809;C=COC=COC(=O)CC;OHXQQVIOXVTUBP-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373810;MM373810;C=CC1(C)CC1NC=NC;LFVYMXGTZGAJOF-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373811;MM373811;C=COC=COC(=O)CO;PZOQSQOETYPADA-UHFFFAOYSA-N;144.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373812;MM373812;CN=CNC1CC1(O)C=O;YBDLSOGRHVJQJV-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373813;MM373813;COC(=O)OC=CCC=O;OBAPFDOKUABNHS-UHFFFAOYSA-N;144.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373814;MM373814;C=C(C#CC)C1CC1(C)O;SWPDPLFATAVGJJ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373815;MM373815;COC(=O)OC=CNC=N;SCIUTHRNXYBYJD-UHFFFAOYSA-N;144.13;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373816;MM373816;CC#CC1=CC(C)(O)CC1;NVNFYUFBWJTAOT-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373817;MM373817;COC(=O)OC=CNC=O;MBOOPLHBZGFARK-UHFFFAOYSA-N;145.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373818;MM373818;CC(C=O)=NNCC(F)F;SDFZCZLMLRKBRJ-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373819;MM373819;N=CNC1=NC(=O)C=N1;GTRXKHZLVLSXNC-UHFFFAOYSA-N;124.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373820;MM373820;C=CC1(C)CC1NN=CC;JUWBSZWYQKICPC-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373821;MM373821;C=C(CC)OC=NNC=O;MGINNDMOJMWLKN-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373822;MM373822;CC=NNC1CC1(C)C=O;RNLNAAOIOPFPER-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373823;MM373823;CC1C(O)CC1CC=O;DYXNRQALOGDIOB-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373824;MM373824;C=CCC(C)CC(O)C=C;JXWNMPNBRWLEOL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373825;MM373825;CC#CC1CC(O)C1C;AIMYJLLEBSJBJQ-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373826;MM373826;C=CC1(N)CC1NN=CC;BLRNLZQGMOAYQM-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373827;MM373827;C=C(CC)OC=NOC=O;BJJYYJVGUQUFBZ-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373828;MM373828;C=C(CC=O)CN(C)C=O;DSEKHCNNGCNDEJ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373829;MM373829;C=C(CN)OC=NOC=O;CPWQMQCCOWJFMM-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373830;MM373830;C=CCC(C)=CC(O)CC;NECOCDDLTIIMMW-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373831;MM373831;C=C(CO)OC=NOC=O;HDHUYJODLMWIJL-UHFFFAOYSA-N;145.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373832;MM373832;CCC(O)C=C(C)CC=O;MWMPFGHLVQTDFR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373833;MM373833;C=C(CF)OC=NOC=O;LXKRUNLNJSCEES-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373834;MM373834;C=C(CC(C)O)C(C)CF;CGUAYORWHAEZQS-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373835;MM373835;NNC(=O)OC=NNC=O;JCUIEOUBKNGSIC-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373836;MM373836;CC=C(CCC)CC(C)O;DOBZUGVPIPSEBV-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373837;MM373837;CCC(CO)CCC=O;CFNYURMEGUEGHN-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373838;MM373838;C=CC1(C)CC1OC=CC;BTLSZBSYHJBCKX-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373839;MM373839;COC(=O)OC=NNC=O;QMPTXJOZTNHTCJ-UHFFFAOYSA-N;146.1;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373840;MM373840;CC=COC1CC1(C)C#N;MTYXMGIHMHFUDH-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373841;MM373841;O=CCC=NOC(=O)CO;NQNAFMLGXXNPAC-UHFFFAOYSA-N;145.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373842;MM373842;C=CC1(N)CC1OC=CC;AIVVHIMAXVFXGU-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373843;MM373843;CCC(CO)CC1CC1;IOZCNQIDSZXDGU-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373844;MM373844;C=CC1(N)CC1OC=CF;UMPPUXDPNKESNO-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373845;MM373845;CCC(C=O)CN1CC1;HLHBHYZLEGVWNZ-UHFFFAOYSA-N;127.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373846;MM373846;C=CC1(O)CC1OC=CC;DQWJWTKHEKCKDV-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373847;MM373847;C=COC=NOC(=O)CC;PADMKNSDKFFCLE-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373848;MM373848;CC=COC1CC1(O)C#N;KQMSATCVLKPXGF-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373849;MM373849;C=COC=NOC(=O)CO;WKMFOPMPEBKBNW-UHFFFAOYSA-N;145.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373850;MM373850;C=CC1(F)CC1OC=CC;KYPJEZBYVCYKNW-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373851;MM373851;C=COC=NOC(=O)CF;MWPAPMUUWDCAJT-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373852;MM373852;CC=COC1CC1(F)C#N;HGNYCXBKZQCFMD-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373853;MM373853;C=NOC=NOC(=O)CC;MWHUXQBXZMGVKI-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373854;MM373854;CC=C(CCF)CC(C)O;HEIQAGRCRATAOF-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373855;MM373855;CC(O)CCCC(C)(C)O;IOMHEFJNPZANMF-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373856;MM373856;C=CC1(C)CC1ON=CC;UZOCVUYPJCOXFH-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373857;MM373857;C=CCC=NOC(=O)NN;DBYGEFVWJTULHH-UHFFFAOYSA-N;143.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373858;MM373858;CC=NOC1CC1(C)C=O;IYMOONBVKNIDKP-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373859;MM373859;CC(O)CCCC(C)(C)F;HUVNEBXHLLWNPI-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373860;MM373860;CC=NOC1CC1(C)C#N;VGUAYACYEDSNLC-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373861;MM373861;CCC(C)C=CC(C)(C)O;ODLPOOUSPUQLKI-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373862;MM373862;CC=NOC1CC1(O)C#N;RSSNSKGFUXMBHT-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373863;MM373863;CC(C=CC(C)(C)O)CF;HFCDLHREYNBAFK-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373864;MM373864;C=CC1(F)CC1ON=CC;AWVYRKJVLMAOHI-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373865;MM373865;CC=NOC1CC1(F)C#N;XJFKUOAPCTYFOU-UHFFFAOYSA-N;142.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373866;MM373866;CC(=O)C=NNCC(F)F;LOWIWVQYHQAZPB-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373867;MM373867;CC=CCC1NC1(C)C=O;ARJTXLOZWCRZTA-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373868;MM373868;C#CCC=CCC(=C)CO;JLYCGCCNIRYBBE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373869;MM373869;CC=CCC1NC1(C)C#N;IPVREGGGVIRTBZ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373870;MM373870;C#CCC=CCC(=O)CC;BRYPSWVAHAAFOE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373871;MM373871;CCC#CCC1CC1(C)O;HZERDDWKSFWCHH-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373872;MM373872;C#CCC=CCC(=O)CO;VPCOOOUUCMGVPO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373873;MM373873;CC1(C#N)NC1CC=NO;UGCGCFFYAVACRB-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373874;MM373874;C#CCC=CCC(=N)NN;BCNVNIBYBGILDX-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373875;MM373875;C=CC1(C)OC1CC=CC;KJALZHGEJRGWRI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373876;MM373876;C#CCC=CCC(=N)NO;OQOIQAWWRPESAE-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373877;MM373877;C=CC1(C)OC1CC=CF;YYHDLOHYKHLGND-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373878;MM373878;C#CCC=CCC(=O)OC;HDYFCTBBALUCAX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373879;MM373879;CC=CCC1OC1(C)C=O;YALRUMCCSVUORU-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373880;MM373880;C#CCC=CNC(=N)CC;QJLMAOOVCQQZFE-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373881;MM373881;CC=CCC1OC1(C)C#N;CQLGZNPZOVNQNK-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373882;MM373882;C#CCC=CNC(=N)CN;OMARYMCSRKOAJS-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373883;MM373883;C=CC1(C)OC1CC=NO;NKFVDVDPDLSZRW-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373884;MM373884;C#CCC=CNC(=O)CO;RETJMLRLMCRKFW-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373885;MM373885;C#CCC=CNC(=N)NC;MXTBXYLYCUJTNP-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373886;MM373886;C=CC1(C)CN1CC=CC;BOUNSTBKRWGAKS-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373887;MM373887;C#CC#CC1CC(C)(O)C1;NTYGEQBAKSKGJS-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373888;MM373888;CC=CCN1CC1(C)C=O;VMLZCADOBYFCHB-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373889;MM373889;C#CCC=CNC(=O)NO;SRTCNHBTAYKCLT-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373890;MM373890;CC=CCN1CC1(C)C#N;RGFBJRPOCDRPOX-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373891;MM373891;C#CCNC=NC(=C)CC;CFQOYGBANAEQJD-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373892;MM373892;C#CC1(C)CC1CC=CC;RWJKXONBTFQXBE-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373893;MM373893;C#CCNC=NC(=C)CN;AQKBIFRDMYUOAT-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373894;MM373894;C#CC1(N)CC1CC=CC;VVZSSSTWNQVDFQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373895;MM373895;C#CCN=CNC(=N)CC;VTMPYCDWUBQXTP-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373896;MM373896;C#CC1(O)CC1CC=CC;DUCOZYVTHQEGPR-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373897;MM373897;C#CCN=CNC(=N)CN;WGJOQKBKPGENJU-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373898;MM373898;C#CC1(O)CC1CC=CF;ILQWABAUECHZMO-UHFFFAOYSA-N;140.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373899;MM373899;C#CCN=CNC(=N)CO;FWQUERIUFTVGNC-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373900;MM373900;C#CC1(F)CC1CC=CC;SCVKBSQBPMFYMT-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373901;MM373901;C#CCN=CNC(=O)CO;ZDZJMEYYMXQNSQ-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373902;MM373902;C#CC1(F)CC1CC=CF;RFOZYPPMRVPKAI-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373903;MM373903;C#CCN=CNC(=N)NN;YRIDBLPBXRAHQE-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373904;MM373904;C#CC1(C)CC1CC=NN;XPEJQPDAXXXBFS-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373905;MM373905;C#CCN=CNC(=N)NO;DXKRNFBXNCVBPI-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373906;MM373906;C#CC1(C)CC1CC=NO;BHIFCACCIGUVQQ-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373907;MM373907;C#CCN=CNC(=O)NC;BADQQISGPFCWFX-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373908;MM373908;C=CCC=CC(O)CCC;GQAMPEUSBYNVQW-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373909;MM373909;C#CCN=CNC(=O)NN;WGFAPGHHZNISDK-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373910;MM373910;C#CC1(O)CC1CC=NO;CZTCCTXJDCGXRJ-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373911;MM373911;C#CCN=CNC(=O)NO;RIVWETGOWKUUAK-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373912;MM373912;C#CC1(F)CC1CC=NN;FWNFQJMJJNPTJY-UHFFFAOYSA-N;140.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373913;MM373913;C#CCC=NNC(=O)NC;MXVWSOOMZCMHFZ-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373914;MM373914;C#CC1(F)CC1CC=NO;QXTADAINLARDOW-UHFFFAOYSA-N;141.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373915;MM373915;CC=CC(C)CCC(C)O;CLBZUDOEUYKXFK-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373916;MM373916;C#CC1(C)CC1N=CNN;CSFIWHLMTHPXAP-UHFFFAOYSA-N;137.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373917;MM373917;C#CCC=NNC(=O)OC;WKSDKTGNIBSGHN-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373918;MM373918;C=C(F)C(=O)CNN=CC;UWIGESRWSMWDMR-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373919;MM373919;C#CCC=COC(=O)CO;XTACQNUBSFINJP-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373920;MM373920;C#CC1(C)CC1NN=CC;FVVITHONHYBUCT-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373921;MM373921;C#CCC=COC(=O)OC;XTGBFIHOPQRIJD-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373922;MM373922;C=CCC(C)C(=C)C(C)O;BQUBZFRFVSHORE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373923;MM373923;C#CC1(F)CC1NN=CC;CJTLMTNFYOUDRH-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373924;MM373924;C#CCC=NOC(=O)CO;PBHPYPWXGHDZPB-UHFFFAOYSA-N;141.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373925;MM373925;C#CC1(C)CC1OC=CC;CXHNQRDJWUYMMM-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373926;MM373926;C=C(CC)CC1(C)CC1O;KUTRSFXMLAPMNK-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373927;MM373927;C#CC1(O)CC1OC=CC;AQYWNWVGSQQEHB-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373928;MM373928;C=CC(=C)CC=CCCC;YJLJVIABZSAANH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373929;MM373929;C#CC1(F)CC1OC=CC;QKQDXYUBTKEHCF-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373930;MM373930;C=C(C=O)CC=CCCC;AACXQUQGLWDQPC-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373931;MM373931;C#CC1(C)CC1ON=CC;DKMQXFNAOZRESP-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373932;MM373932;C=C(C#N)CC=CCCC;IRDAMUXUJGOIIF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373933;MM373933;CON=C(C)C(C)C(C)=O;FRUZSLWZEPUHTD-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373934;MM373934;C=C(C=O)CC=CCCF;HCEXWCMELJLQRF-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373935;MM373935;C#CC1(F)CC1ON=CC;XVVDDZCIBYMOMJ-UHFFFAOYSA-N;141.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373936;MM373936;C=CC(=O)CC=CCCC;ABUFPYWEZYFYOU-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373937;MM373937;C#CC1(C)NC1CC=CC;ZADYZYKTPZPZDY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373938;MM373938;C=CC(=O)CC=CCCO;LQFKIQKCRMHIID-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373939;MM373939;C#CC1(C)OC1CC=CC;JRRAODFLVGGKQK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373940;MM373940;C=CC(=O)CC=CCCF;QTPZJJNRSSSMIA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373941;MM373941;C#CC1(C)CN1CC=CC;BWABNLCLPCBOFJ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373942;MM373942;CCCC=CCC(=O)C=O;GHBJMHHLQLDJHB-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373943;MM373943;CC#CCC1CC1(C)CC;ZDUIINBZAITIJC-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373944;MM373944;CCCC=CCC(=O)C#N;QKLMYNDVPQGOBI-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373945;MM373945;CC#CCC1CC1(C)CN;RXHNEIOPBOIZFL-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373946;MM373946;O=CC(=O)CC=CCCF;VCYCQDYQEBUOMD-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373947;MM373947;CC#CCC1CC1(C)CF;KAHJQWJRZQIVKD-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373948;MM373948;C=CC(=C)CC=CCNC;NVXBMWQAZFYONY-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373949;MM373949;CC#CCC1CC1(N)CC;WOYFKMUFYPNHPN-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373950;MM373950;C=C(C=O)CC=CCNC;GLDFIAXYTHHEQK-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373951;MM373951;CC#CCC1CC1(N)CN;RLDUFDSJIJPCAY-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373952;MM373952;C=C(C#N)CC=CCNC;WZEAEGVSZDDVMG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373953;MM373953;CC#CCC1CC1(N)CO;GPYSMFUCYLALKD-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373954;MM373954;CNCC=CCC(=O)C=O;OKVVLOZMFLXHOV-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373955;MM373955;CC#CCC1CC1(N)CF;SXWUGQRNWJVZIL-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373956;MM373956;COCC=CCC(=O)C=O;ZVAIYELMAJNNGZ-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373957;MM373957;C=CCC(C)=C(C)C(C)O;NATIDTAJFWIGSG-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373958;MM373958;C=CC(=C)CC=COCC;FOCXWRVHWJYIHG-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373959;MM373959;CC#CCC1CC1(O)CN;IZHSMKDKVBQOGX-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373960;MM373960;C=CC(=O)CC=COCC;QGXLLXOTGLUKJH-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373961;MM373961;CC#CCC1CC1(O)CO;GGQFNLQAGJZXMH-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373962;MM373962;CCOC=CCC(=O)C=O;NCSMLKDDBNYRLY-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373963;MM373963;CC#CCC1CC1(O)CF;YUADWMYSHHSHGN-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373964;MM373964;CCOC=CCC(=O)C#N;WJNQRBRWVGKWPQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373965;MM373965;CC#CCC1CC1(F)CC;YKIQTNLHMICPSY-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373966;MM373966;C=C(C=O)CC=NNCC;CDWJTYRZAFPYQC-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373967;MM373967;CC#CCC1CC1(F)CN;YTSPVOFALQFJFP-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373968;MM373968;C=C(C#N)CC=NNCC;UKTOKCGVRWVVFD-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373969;MM373969;CC#CCC1CC1(F)CO;AHQNBXSOJWUIEQ-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373970;MM373970;CCC(O)CCCC(C)O;ONGUKKAIGDNAGC-UHFFFAOYSA-N;146.23;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373971;MM373971;CC#CCC1CC1(F)CF;PIAYZAZQDJQCND-UHFFFAOYSA-N;144.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373972;MM373972;C=CC(=C)CC=NOCC;IMGTVGLHBUABJP-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373973;MM373973;CC#CCC1CC1(C)NC;IAQXZHIPFAGJLM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373974;MM373974;C=C(C=O)CC=NOCC;QBWMSVOIJSPVDT-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373975;MM373975;CC#CCC1CC1(C)OC;MVHIAUJZAJAPAB-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373976;MM373976;C=C(C#N)CC=NOCC;SEUNSTHXYPKSSM-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373977;MM373977;CC#CCC1NC1(C)CN;XMPJNEVZFKSTEI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373978;MM373978;CCC(F)CCCC(C)O;XTJBHKKCAMVAMQ-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373979;MM373979;CC#CCC1NC1(C)CF;OVVDYVANUAYYMF-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373980;MM373980;C=CC(=N)NC=CCCO;FQANSXOHFZVADA-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373981;MM373981;CC#CCC1OC1(C)CC;KCPISKPMIJBGSG-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373982;MM373982;CCCC=CN=C(N)C=O;KRHKSJUMOBBBHX-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373983;MM373983;CC#CCC1OC1(C)CN;CEBKHGICSBVILY-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373984;MM373984;CCCC=CNC(=N)C#N;PXQXSYZOTOFSEA-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373985;MM373985;CC#CCC1OC1(C)CO;RJXUTWISAFJUQW-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373986;MM373986;CC(O)CCCC(F)CF;NEWYKAQICPLYQT-UHFFFAOYSA-N;152.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373987;MM373987;CC#CCN1CC1(C)CC;GJZCVOFKTRLDIN-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373988;MM373988;N#CC(=N)NC=CCCF;LHQWGUMKBGFYNG-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373989;MM373989;CC#CCN1CC1(C)CN;IDPUPXBEZKRNLT-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373990;MM373990;C=CC(=O)NC=CCCC;NVKWPTRFGFQFQL-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373991;MM373991;CC#CCN1CC1(C)CF;HMDLYAVRHFJHKK-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373992;MM373992;C=CC(=O)NC=CCCF;XCBNEOFTMMOVEL-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373993;MM373993;C=CC1(C)CC1CC#CC;HLOCYLAAJRKVMF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373994;MM373994;CCCC=CNC(=O)C=O;JOGPUTLHXGVMRJ-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373995;MM373995;CC#CCC1CC1(C)C#N;CBGJENIQONMHRX-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373996;MM373996;CCCC=CNC(=O)C#N;MJVFOCYEOIBJJS-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373997;MM373997;C=CC1(N)CC1CC#CC;XBGDDMVVVFFYNZ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373998;MM373998;N#CC(=O)NC=CCCO;WTCYBHHRXGOCNB-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM373999;MM373999;CCCC1C=C(C)C(O)C1;PNUNIYMDGRGLJC-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374000;MM374000;C=CC(=N)NC=CCNC;GNCUUFKIOFYTGA-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374001;MM374001;CC#CCC1CC1(O)C#N;NOZHIYQITABNRQ-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374002;MM374002;C=CC(=O)NC=CCNC;ZUULWEMGGBTWMY-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374003;MM374003;C=CC1(F)CC1CC#CC;OWJJXUHOGCRJDJ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374004;MM374004;CNCC=CNC(=O)C=O;SOHULUGBLBDOTO-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374005;MM374005;CC#CCC1CC1(F)C=O;DYIUYUUDXIORCO-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374006;MM374006;CNCC=CNC(=O)C#N;VSNHYRRTERXBNP-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374007;MM374007;CC#CCC1CC1(F)C#N;ZLOKUPCACQENLD-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374008;MM374008;COCC=CN=C(N)C=O;FCRGGHDYCHHDHW-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374009;MM374009;CC#CCC1NC1(C)C#N;ZIIFCKWQUOBCRK-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374010;MM374010;C=CC(=N)NC=COCC;PNJKPNGLGSHCAI-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374011;MM374011;C=CC1(C)OC1CC#CC;HUNKUQRZGLQREY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374012;MM374012;C=CC(=O)NC=COCC;PJOSUKQQVWTLEO-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374013;MM374013;CC#CCC1OC1(C)C#N;NGNXYJRIORVJFK-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374014;MM374014;C=CC(=C)NC=NCCC;NEXVFOLNDSOTAG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374015;MM374015;C=CC1(C)CN1CC#CC;ZHVDRAHQLFAOTH-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374016;MM374016;C=CC(=C)NC=NCCN;QCQOLEMYKDWADW-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374017;MM374017;CC#CCN1CC1(C)C=O;WAWVIEGMUWZSIJ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374018;MM374018;C=CC(=C)NC=NCCO;GWZBCWDNEJZQJM-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374019;MM374019;CC#CCN1CC1(C)C#N;UHJGQDARJJPWTB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374020;MM374020;C=CC(=N)NC=NCCC;OWBYZPRIIAMBPK-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374021;MM374021;C#CC1(C)CC1CC#CC;PNUBUXZKVAHNPT-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374022;MM374022;C=CC(=N)NC=NCCN;QKBLLNZQBSBLLK-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374023;MM374023;C#CC1(N)CC1CC#CC;ZRZKHAJFUDFUED-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374024;MM374024;C=CC(=N)NC=NCCF;ZHRFMDDFVWJRMO-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374025;MM374025;C#CC1(O)CC1CC#CC;GQHCFIVAANMNIG-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374026;MM374026;CC(O)CCCC(C)C=O;FXSFMAUTIRJDRQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374027;MM374027;C#CC1(F)CC1CC#CC;FLNKCSZGZQVUAG-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374028;MM374028;CC(O)CCCC(F)C#N;RCHMKFNBHHJIJV-UHFFFAOYSA-N;145.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374029;MM374029;C#CC1(C)NC1CC#CC;XMYQMUWTUACVIO-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374030;MM374030;CC(O)CCCCCC#N;CCBCWZOIDQWHNC-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374031;MM374031;C#CC1(C)OC1CC#CC;YNUWLVACVIRQEB-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374032;MM374032;C=NNCCCCC(C)O;RFJMPVBCXBIYPJ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374033;MM374033;C#CC1(C)CN1CC#CC;QGYSDLCLYMBFMG-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374034;MM374034;CC(O)CCCCOC=O;UTZARHJHTRVWJG-UHFFFAOYSA-N;146.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374035;MM374035;CC(CCCO)C1(C)CC1;ZCJYQQIWNRCADY-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374036;MM374036;C=CC(=O)NC=NCCO;QNZLAGKTFZRUMG-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374037;MM374037;CCCCC(N)C1(C)CC1;SVBJUSJGBJKIEU-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374038;MM374038;C=CC#CCC1CC1(C)O;IZYCHMKZXOPFNT-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374039;MM374039;C=CC=C1C=C(C)C(O)C1;KCTCOMHUVORVLD-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374040;MM374040;N#CC(=CN)C(=O)C(=N)N;HIMDELGAUXJXKE-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374041;MM374041;CCCCC(C)C1(N)CC1;AIFSTSUAKOXNPP-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374042;MM374042;C=CC(=C)NC=NOCC;RRUCUMXPFOHEIE-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374043;MM374043;CC(CCCO)C1(N)CC1;UUMWAOXSZYNPCI-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374044;MM374044;C=CC(=O)NC=NOCC;QBTREIQQCRZERR-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374045;MM374045;CCCCC(N)C1(N)CC1;SLDRTTJILYMLEX-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374046;MM374046;O=C(O)C(O)C(F)CF;GFWFTZOUGJNZNQ-UHFFFAOYSA-N;140.09;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374047;MM374047;NCCCC(N)C1(N)CC1;WQPIBFFPEWGKFY-UHFFFAOYSA-N;143.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374048;MM374048;CC(C)C(O)C=CCC#N;LXQNXIWCSRMRIV-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374049;MM374049;CCCC1=CC(O)C(C)C1;PJOFWMNWFHTPCJ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374050;MM374050;C#CC=C1CC(=C)C(O)C1;XEEZNUZOKHEKDA-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374051;MM374051;C#CC1C=CC(O)(C=C)C1;CRRBWZLLAQMIDO-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374052;MM374052;CCCC=NNC(=O)C=O;ODIZDROHCYKNFT-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374053;MM374053;CCCCC(N)C1(O)CC1;DEQJJZUXGNTMDQ-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374054;MM374054;C=CC(=O)NN=COCC;ZPHGUJVXTKUXBG-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374055;MM374055;NCCCC(N)C1(O)CC1;PMFODDPNNJTMTN-UHFFFAOYSA-N;144.22;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374056;MM374056;C=CC(=C)OC=CCCC;PZIILBRGXYPYBW-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374057;MM374057;CCCCC(O)C1(O)CC1;VCYGCFYRRNOKOI-UHFFFAOYSA-N;144.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374058;MM374058;C=C(C#N)OC=CCCC;IMDUMQYPQAVRJS-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374059;MM374059;C=C(C#N)OC=CCCO;GKJWJAFZEVFRKA-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374060;MM374060;CCNCC(C)C1(N)CC1;KEKJVNIMSZUBKY-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374061;MM374061;C=CC(=O)OC=CCCC;CDHUYRBKZIBYPP-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374062;MM374062;CCNCC(C)C1(O)CC1;MHAMZOSIYRKZNB-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374063;MM374063;CCOCC(C)C1(C)CC1;KVSIBHHDAWNEPT-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374064;MM374064;CCCC=COC(=O)C=O;KNASNFSLDRZYAX-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374065;MM374065;CCCNC(C)C1(C)CC1;RKDJYFXQTLPJTB-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374066;MM374066;CCCC=COC(=O)C#N;XMJKLGRLZYRBNN-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374067;MM374067;CCCNC(C)C1(N)CC1;AOPOMLFXHQNAPV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374068;MM374068;C=CC(=C)OC=CCNC;GZBRNEBNWRWDCM-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374069;MM374069;CC(NCCN)C1(N)CC1;OHLGZLQRLNQQLB-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374070;MM374070;CNCC=COC(=O)C=O;MFCAYRBIBGSTDW-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374071;MM374071;CCCNC(C)C1(O)CC1;LPMBLCRQCWBJHD-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374072;MM374072;C=C(C=O)OC=CCOC;QZBCUBLZDRSMQO-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374073;MM374073;CC(NCCN)C1(O)CC1;XOJKPSMBJYMENI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374074;MM374074;C=C(C#N)OC=CCOC;LNMFQLFORXKCSU-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374075;MM374075;CCCNC(C)C1(F)CC1;NUGQJTRNTRDJED-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374076;MM374076;C=CC(=C)OC=COCC;ZMFYJZLLEFKWIU-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374077;MM374077;CC(NCCN)C1(F)CC1;PWSTUEDSWISFEW-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374078;MM374078;C=C(C=O)OC=COCC;XBQSTMLTVHZVNV-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374079;MM374079;CCCOC(C)C1(C)CC1;VLUPQEKSMQTPPE-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374080;MM374080;C=C(C#N)OC=COCC;QYPNCNDLTOHCHE-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374081;MM374081;CC(OCCN)C1(C)CC1;HGFGRLWKHJTZGJ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374082;MM374082;CCOC=COC(=O)C=O;CLRWLYFYRCABTJ-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374083;MM374083;CCCOC(C)C1(O)CC1;SKMWGIDTYCUOAR-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374084;MM374084;CCOC=COC(=O)C#N;LUVMHYLJRXPXHF-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374085;MM374085;CC(OCCN)C1(O)CC1;HLLWVUMNGGPSAS-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374086;MM374086;C#CCC1=CC2(O)CC1C2;KSLVTBIKJXMYIF-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374087;MM374087;CCCOC(C)C1(F)CC1;IVILOIAWIOBLQV-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374088;MM374088;C=C(C=O)OC=NOCC;JAVOMKKSKWCKRY-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374089;MM374089;CCCCN(C)C1(C)CC1;ZBKMSFXGIORRNN-UHFFFAOYSA-N;141.26;2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374090;MM374090;C=C(C#N)OC=NOCC;NUCFVJZRVXZFJW-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374091;MM374091;CCCCC(N)C1(C)CN1;HFOFEMAXQJPLLC-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374092;MM374092;C=CC(=O)ON=CCNC;JHTUBPUMBHWRBT-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374093;MM374093;CC1(C(N)CCCN)CN1;VARWLYZHWTYRJW-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374094;MM374094;C=CC(=O)ON=COCC;NOAOUENGZMZLSM-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374095;MM374095;CNCCC(N)C1(C)CN1;SFRXDUOQVQPUID-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374096;MM374096;CCOC=NOC(=O)C#N;WOEVUXPFRNQITC-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374097;MM374097;CCCNC(C)C1(C)CN1;VZDCGJZRURKRPA-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374098;MM374098;C=CC(=C)CC=CCC=O;RSKBIYUEVKNVCL-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374099;MM374099;CC(NCCN)C1(C)CN1;KREKBBMYHOUVGP-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374100;MM374100;C=CC(=C)CC=CCC#N;DJLUTVDGTINXCB-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374101;MM374101;CC(NCCO)C1(C)CN1;XMKQWGVLUAGZBQ-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374102;MM374102;C=C(C#N)CC=CCC=O;ZHPRPNCWGAFYOJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374103;MM374103;CC(OCCN)C1(C)CN1;XOYKUDHCNUCUSL-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374104;MM374104;C=CCC=CCC(=O)C=C;BHRGVTYRHYOEPU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374105;MM374105;CCCCC(C)C1(C)CO1;DHUYUUCDNRNHQU-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374106;MM374106;C=CC(=O)CC=CCC=O;WARLGLWPFJCVSI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374107;MM374107;CCCCC(N)C1(C)CO1;ROVKRQAJKGOAAM-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374108;MM374108;C=CC(=O)CC=CCC#N;GTFVVSKFUIIPDM-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374109;MM374109;CC1(C(N)CCCN)CO1;UBOWAQCIBFKMBE-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374110;MM374110;C=CCC=CCC(=O)C#N;JAQVYMGXEBZING-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374111;MM374111;CCNCC(C)C1(C)CO1;GQRSAEZKHBHTFT-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374112;MM374112;C=CC(=C)CC=CNC=N;WGIYJEYVOBTMCD-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374113;MM374113;CCCNC(C)C1(C)CO1;HSQBWCWXHRDYKO-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374114;MM374114;C=CC(=C)CC=CNC=O;UABAECLDKCNBAR-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374115;MM374115;CCCOC(C)C1(C)CO1;QBTVISJPGAOIPV-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374116;MM374116;C=CC(=O)CC=CNC=N;MEVJMLHLLXSQKN-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374117;MM374117;C=CCCC(C)C1(C)CC1;XIGXTAFSSXEHMV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374118;MM374118;C=C(C=O)CC=COC=O;SSJKRTFOKLYVNB-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374119;MM374119;CC1(C(O)CCC=O)CC1;SYCUCLXGBACAAI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374120;MM374120;C=COC=CCC(=O)C=C;ZQBRSYKZESZIJV-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374121;MM374121;C=CCCC(C)C1(N)CC1;LDLOOOOBEVAWIC-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374122;MM374122;C=COC=CCC(=O)C#N;XXCTWGMVHHJHDG-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374123;MM374123;C=CC(C=O)NN=C(C)C;FUHABBUZWNIWRM-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374124;MM374124;C=C(C#N)CC=NNC=O;HRSJKMDLVPKTNS-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374125;MM374125;CC(CCC#N)C1(F)CC1;AAPWTFPRJDOXQJ-UHFFFAOYSA-N;141.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374126;MM374126;C=C(C#N)CC=NOC=O;HNMJXHCFZGMJCE-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374127;MM374127;CC(CNC=N)C1(C)CC1;AHWHZCSJCFCOPP-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374128;MM374128;C=CCC=CNC(=N)C=C;MOKQRWCQPSNRQF-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374129;MM374129;CC(CNC=N)C1(N)CC1;GRXTTYLSVPHZFC-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374130;MM374130;C=CCC=CNC(=N)C=O;BAWJLECBAXBGCA-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374131;MM374131;N#CCC=CNC(=N)C=O;RHTWRYRRTQSQGU-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374132;MM374132;CC(CNC=N)C1(O)CC1;WIYRDJUZPGEXIS-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374133;MM374133;CNN=C(CF)NOC=O;KMOMUBTYAQFSFF-UHFFFAOYSA-N;149.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374134;MM374134;C#CC1(C)CC(C=O)=NN1;LGENEIYPRPQJOI-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374135;MM374135;C=NNCC(C)C1(C)CC1;VADQPPDHKJLWLZ-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374136;MM374136;C=CCC=CNC(=O)C=C;LWPCFIBDTPOMJX-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374137;MM374137;N=c1nc(NN)c(N)no1;AUNJDZJKORAPMV-UHFFFAOYSA-N;142.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374138;MM374138;C=CCC=CNC(=O)C=O;AOEIJZNFKBYAOS-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374139;MM374139;C=COCC(C)C1(C)CC1;DSMAJWKWCMMBAY-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374140;MM374140;C=CCC=CNC(=O)C#N;XGAYDSRBOCBOSD-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374141;MM374141;CC(COC=O)C1(C)CC1;DVWHHIKTJQOAHC-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374142;MM374142;O=CCC=CNC(=O)C=O;SRRPKMMURHGFOF-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374143;MM374143;C=NOCC(C)C1(N)CC1;MHOQYKQESPLJNR-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374144;MM374144;C=CC(=N)NC=CNC=N;MGNMVXDTYQWLNI-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374145;MM374145;CC(NCC=O)C1(C)CC1;CPFXGYLBIXYLJU-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374146;MM374146;C=CC(=N)NC=CNC=O;JMEXXTOTTGZTJJ-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374147;MM374147;C=CCNC(C)C1(N)CC1;UVKBQZIGCMZLCV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374148;MM374148;CCC(C)CC(CC)CO;NRZVENBFUFCASY-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374149;MM374149;C=CC=NNC(C=C)C=O;WKUKJDYJYSMWSV-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374150;MM374150;CCC(CO)CC(C)CF;JQXWIBGLJOEHFW-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374151;MM374151;C=CCNC(C)C1(F)CC1;LEIONDMHMPJZSQ-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374152;MM374152;C=CC(=O)NC=CNC=N;YVQDNODFPZKDCH-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374153;MM374153;CC(NCC#N)C1(F)CC1;YNMSRXMZDLINPC-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374154;MM374154;C=CC(=O)NC=CNC=O;FJQJDYQZPQRWIL-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374155;MM374155;C=CCOC(C)C1(C)CC1;ARPPVQCQQJIXEB-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374156;MM374156;N#CC(=O)NC=CNC=N;FCEVHSRTYWVILM-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374157;MM374157;CC(OCC=O)C1(C)CC1;VINJGNXUPNERON-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374158;MM374158;C=COC=CNC(=N)C=C;UNFUULZOJFAGOH-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374159;MM374159;CC(OCC#N)C1(C)CC1;GLPJEJXSNLNFPF-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374160;MM374160;C=CC(=N)NC=COC=O;MSOXNUOMYUXMCS-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374161;MM374161;C=CCOC(C)C1(N)CC1;CUXOAOJHBJFIFJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374162;MM374162;C=COC=CNC(=N)C=O;WKWRGOOCVFNRPF-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374163;MM374163;C=CCOC(C)C1(O)CC1;OUHRDAIBLFGYPK-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374164;MM374164;C=COC=CNC(=N)C#N;QOHGMNKMMVBIJR-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374165;MM374165;CC(OCC#N)C1(O)CC1;HZLUKLWSZSAEPO-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374166;MM374166;C=CC(CO)CC(=C)CC;XYIYLACXCMJSTJ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374167;MM374167;CC(OCC#N)C1(F)CC1;ZHZPNRAPEFNINC-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374168;MM374168;C=COC=CNC(=O)C=C;FLSIBEWFCJFQPH-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374169;MM374169;CN(CCC=O)C1(C)CC1;BSHSKOJQSSAGRM-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374170;MM374170;C=CC(=O)NC=COC=O;VGOKVNXAWGNTKQ-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374171;MM374171;CC(CCC=O)C1(C)CO1;OYZGTJZUAGKWTL-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374172;MM374172;C=CC(=C)N=CNCC=O;DIWLVUMOHQWKLM-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374173;MM374173;C=CCNC(C)C1(C)CO1;VTTQTVUXUPSWBR-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374174;MM374174;C=CC(=C)N=CNCC#N;OPPLJNSZDTZZNY-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374175;MM374175;CC(OCC#N)C1(C)CO1;FZQGYXPEMNQFIR-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374176;MM374176;C=CC(CO)CC(C)=CC;BXVKSMQYYWKIOH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374177;MM374177;C#CCCC(C)C1(C)CC1;VPLJNNCZJVJLCD-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374178;MM374178;C=CC(CO)CC(C)=CF;PPBGYXJFVGOSCV-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374179;MM374179;C#CC1CCC(CO)C1=C;LKHYYHWOMINFDH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374180;MM374180;C=CC(CC)CCC(C)O;NRTLPRGQVFLXJU-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374181;MM374181;C#CCCC(N)C1(O)CC1;HHCGXTAQKIJJPF-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374182;MM374182;CCOC(OC)C(=O)O;LFBSPVORFUVINC-UHFFFAOYSA-N;134.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374183;MM374183;C#CCCC(C)C1(F)CC1;BVTQHSOAVKOIBX-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374184;MM374184;C=C(C#N)N=CNNC=N;QCTOIRLWYSEFIW-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374185;MM374185;C#CCCC(N)C1(F)CC1;GNIZHAXJTANPIF-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374186;MM374186;CCC(C=O)CCC(C)O;QAOUOKUYDPWOEY-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374187;MM374187;C#CCNC(C)C1(C)CC1;WXBQVGYDOBGMEY-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374188;MM374188;C=CC(=N)NC=NNC=O;JLCJDXIIFCFENF-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374189;MM374189;C#CCNC(C)C1(N)CC1;WJSWORIDYLSIGJ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374190;MM374190;C=CC(CF)CCC(C)O;UQNWUNPREZAGTQ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374191;MM374191;C#CCOC(C)C1(C)CC1;STEBTSXCDVNPMJ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374192;MM374192;C=CC(=O)NC=NNC=O;IZLZQGMAYCCGQV-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374193;MM374193;C#CCOC(C)C1(N)CC1;YHTVVVMOLQNNPC-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374194;MM374194;C=CC1(CO)CC(C#N)C1;AEHXSNORNHAGRV-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374195;MM374195;C#CCCN(C)C1(C)CC1;OQJYYZZASNRHEA-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374196;MM374196;C#CC1(CO)C=CC(C)C1;AEOPCYREGIWKJV-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374197;MM374197;C#CCNC(C)C1(C)CO1;HORFDGUWNWLYSH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374198;MM374198;C=CC(=O)NC=NOC=O;MCCBGPYRMSIVLQ-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374199;MM374199;C=C(CCCC)C1(C)CC1;OQAOKXKEJBJKNM-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374200;MM374200;C#CC1(CO)C=C(C)CC1;JTUNNUOJWSBNOB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374201;MM374201;C=C(CCCN)C1(C)CC1;NCJKOWZJRDXRBT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374202;MM374202;C=CC(=O)NN=CCC=O;BMMSXGCNWVZOTJ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374203;MM374203;C#CC1C=CC(CO)C1C;LSYSWGOKZYSEPD-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374204;MM374204;C=CC(=O)NN=CCC#N;ITEGQDUEPRTGIC-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374205;MM374205;C=C(CCCF)C1(C)CC1;LRCQWALEOUOQBM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374206;MM374206;C=CCC=NNC(=O)C=O;JXNFMIRWOMWRIV-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374207;MM374207;C=C(CCCC)C1(N)CC1;ZPORCNDLZGRTPP-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374208;MM374208;O=CCC=NNC(=O)C=O;RXEQWPFULZTJFR-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374209;MM374209;C=C(CCCN)C1(N)CC1;JIVIJAINYLVCPR-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374210;MM374210;C=COC=NNC(=O)C=C;MPTHHSAFAFNVJT-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374211;MM374211;CCC(C=O)C(C)N1CC1;ZYWOALDQLMCTCK-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374212;MM374212;C=CC(=O)NN=CON=C;BLACFQRHLZPFBS-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374213;MM374213;C=CC(CO)C(=C)C1CC1;AYRLSZDIXNYVOF-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374214;MM374214;C=NOC=NNC(=O)C=O;OHKWLUOASGFDKM-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374215;MM374215;CCCCC(=O)C1(O)CC1;NWMRLWAJZWVIFV-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374216;MM374216;C=CCC=COC(=C)C=C;JQNMWPBDQHHRGC-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374217;MM374217;C=C(CCCC)C1(F)CC1;TYVFSCMFHUJJMZ-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374218;MM374218;C=CC(=C)OC=CCC#N;FHXAQWKKXPYDOH-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374219;MM374219;Cc1cc(N)no1;FKPXGNGUVSHWQQ-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374220;MM374220;C=CCC=COC(=C)C#N;JXKOINIOIXXABU-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374221;MM374221;C=C(CCNC)C1(N)CC1;QTCKHALCZGBKDT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374222;MM374222;C=C(C=O)OC=CCC#N;BTIADILXTPOMBW-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374223;MM374223;C=C(CCOC)C1(F)CC1;SLYHZVKMSQZFPK-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374224;MM374224;C=C(C#N)OC=CCC#N;OEAJTKXVAFPUPB-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374225;MM374225;C=C(CNCC)C1(N)CC1;LLGXLKIZVVLVCG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374226;MM374226;C=CCC=COC(=O)C#N;ODUPIYQGLDNVAM-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374227;MM374227;C=C(COCC)C1(C)CC1;FUFITGOBAOCJSU-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374228;MM374228;N#CCC=COC(=O)C#N;NJBAHGHSCROUPT-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374229;MM374229;C=C(COCC)C1(N)CC1;RWAVDFNOFNZOOB-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374230;MM374230;C=CC(=C)OC=CNC=O;UHXIVVKIPREPFQ-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374231;MM374231;C=C(COCC)C1(O)CC1;KUEIUQYVJVEUBK-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374232;MM374232;C=C(C=O)OC=CNC=N;JPWPAZUEXWIUTH-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374233;MM374233;CC1(C(=O)NCCO)CC1;VNSYPIAEVFVXRE-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374234;MM374234;C=CC(=O)OC=CNC=N;DAHNPZDNLDABQM-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374235;MM374235;CCCNC(=N)C1(N)CC1;CBPUHLWGDMREKE-UHFFFAOYSA-N;141.22;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374236;MM374236;N=CNC=COC(=O)C=O;PUDAARMUCURJIE-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374237;MM374237;CCCNC(=O)C1(O)CC1;PAJCXILGGZEVFP-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374238;MM374238;C=COC=COC(=C)C=C;JKPVCAWNAKQUQS-UHFFFAOYSA-N;138.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374239;MM374239;NCCNC(=O)C1(O)CC1;FROSYRQZDNADKR-UHFFFAOYSA-N;144.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374240;MM374240;C=COC=COC(=C)C=O;QVFQRAKSGJIWBV-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374241;MM374241;C#CC1(C)CCC1O;MEXUGUFQLZHYIX-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374242;MM374242;C=COC=COC(=C)C#N;LWZKQDLUDCGGAE-UHFFFAOYSA-N;137.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374243;MM374243;CCC#CCC(C)(C)O;VQQUHBXYLUUFDA-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374244;MM374244;C=COC=COC(=O)C=C;ZEQFDHHYJYKBEB-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374245;MM374245;CCNNC(=O)C1(F)CC1;WJHCBZMHUNQSTH-UHFFFAOYSA-N;146.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374246;MM374246;C=COC=COC(=O)C=O;DIPDNUJIQBVDEG-UHFFFAOYSA-N;142.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374247;MM374247;C=C(OCCO)C1(C)CC1;PRPIRHHXQOJZOH-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374248;MM374248;C=COC=COC(=O)C#N;OMOIQHOQTBLQAI-UHFFFAOYSA-N;139.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374249;MM374249;CCCOC(=O)C1(C)CC1;UNSLCBWVYDBEER-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374250;MM374250;C=CC(=C)OC=NNC=O;MXYCJWYDFWMMSS-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374251;MM374251;CCCNC(=N)C1(C)CN1;CUKYMFQJHYYICQ-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374252;MM374252;C=CC(=C)OC=NOC=O;LGCWSZSRBOUXBS-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374253;MM374253;CC1(C(=O)NCCN)CN1;QCQFSKJYJLHJNB-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374254;MM374254;O=CON=COC(=O)C=O;AVHUSYJFRWOKTH-UHFFFAOYSA-N;145.07;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374255;MM374255;CC1=CC(O)CC1(C)C;SRLNZZNLODIRIA-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374256;MM374256;C=COC=NOC(=O)C=C;MCUCUPUQWWURFK-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374257;MM374257;CCCNC(=O)C1(C)CO1;JBPPZSUMIQKVHC-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374258;MM374258;C=CC(=O)ON=COC=O;OIKHIBLAAFNEJQ-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374259;MM374259;C=CCCC(=C)C1(C)CC1;LGFRRSHEUCZPJC-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374260;MM374260;C=COC=NOC(=O)C#N;MRDQNRGKJCYVRD-UHFFFAOYSA-N;140.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374261;MM374261;C=C(CCC=O)C1(C)CC1;RTDSOYMNLCBZQS-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374262;MM374262;C=CC(=O)ON=CON=C;OKDNXSFDLHYJRY-UHFFFAOYSA-N;142.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374263;MM374263;C=C(CCC#N)C1(C)CC1;ZIXLQLSNQROXEC-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374264;MM374264;C#CCC=CCC(=C)C=C;SSWQMZDEHFHNLP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374265;MM374265;C#CC1CC(O)(C=C)C1;JYLOSOTVUXVVBA-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374266;MM374266;C#CCC=CCC(=O)C=C;AUJHWWRBXPMVGB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374267;MM374267;C=C(CNC=N)C1(C)CC1;RQSOATBQPYVNKI-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374268;MM374268;C#CCC=CNC(=N)C=C;RCOKSNUEBOSXIF-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374269;MM374269;C=C(C)C1CC1(C)CO;KZTBLCACVKDVMP-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374270;MM374270;C#CCC=CNC(=O)C=C;CDVTXSKWNDEYMJ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374271;MM374271;C=C(CNC=N)C1(N)CC1;QHXVIDLLIYASOL-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374272;MM374272;CCC(O)C(C)=CCC#N;RHKXICSIYNKPJX-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374273;MM374273;C=C(CNC=O)C1(N)CC1;DOIQKLFFSTYOFC-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374274;MM374274;C#CC(=NOC)C(F)C#C;MHIBIASIMFUWBH-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374275;MM374275;C=C(CNC=N)C1(O)CC1;ORBLFABNTQGIDK-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374276;MM374276;C=C(CC)CC1C(C)C1O;AGFYFLSCCAJTIJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374277;MM374277;C=C(CNC=O)C1(O)CC1;HROYMOQCZSNMFN-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374278;MM374278;C#CCC=NNC(=O)C=C;UWHCEEMFRSIFFU-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374279;MM374279;C=C(CNC=N)C1(F)CC1;FCCGGTYDPNHYPC-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374280;MM374280;C#CCC=NNC(=O)C=O;ONVOHBDYNFYBJV-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374281;MM374281;C=C(CNC=O)C1(F)CC1;BHIMJYJAXVDQGN-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374282;MM374282;C#CCC=NNC(=O)C#N;GCRVEZJCGHNQGW-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374283;MM374283;C=NNCC(=C)C1(C)CC1;XUCJTPJRXCTIBA-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374284;MM374284;C#CCC=COC(=O)C=O;NENWEQGUPYMUHU-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374285;MM374285;C=NNCC(=C)C1(N)CC1;GCCUDVMLCQQTGO-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374286;MM374286;C#CC(=C)CC=CCCC;IWPMTGBGPAFEIE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374287;MM374287;C=NNCC(=C)C1(F)CC1;ZLQWZCUYNSFILF-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374288;MM374288;C#CC(=O)CC=CCCC;APDKDTRTRKFGJV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374289;MM374289;C=COCC(=C)C1(N)CC1;WRKHBFLVNFZKIH-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374290;MM374290;C#CC(=O)CC=CCCF;SMZWBISEMBXDJH-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374291;MM374291;C=COCC(=C)C1(O)CC1;AQARGTHIUULMTJ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374292;MM374292;C#CC(=C)CC=CCNC;YSQMVBRMHWRFHI-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374293;MM374293;C=C(COC=O)C1(O)CC1;JNDTYXQGAXALND-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374294;MM374294;C#CC(=C)CC=NNCC;AJMREYFSFBMWBB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374295;MM374295;C=COCC(=C)C1(F)CC1;XPJMSIWFISNALJ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374296;MM374296;C=C(CF)CC1C(C)C1O;DQYIIQARGQFNNX-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374297;MM374297;C=NOCC(=C)C1(N)CC1;VVDDWOBMTUOWIV-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374298;MM374298;C#CC(=C)CC=NOCC;NGRUGRKURLCFHR-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374299;MM374299;C=NOCC(=C)C1(F)CC1;UDYQGXZRPFOPHL-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374300;MM374300;CC=C(C)CC1C(C)C1O;MNZMJRCLAFIDBO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374301;MM374301;CC1(C(=N)NCC#N)CC1;GVSBUJUSVOSAPN-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374302;MM374302;C#CC(=N)NC=CCCC;PTTLOMZPHSKJOD-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374303;MM374303;C=C(C)CC1(CO)CC1;USABCDBLRGOVOV-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374304;MM374304;C#CC(=N)NC=CCCN;FPVYNNCWCXODSL-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374305;MM374305;C=CCNC(=N)C1(N)CC1;GPTYHRFJWLWMJE-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374306;MM374306;C#CC(=N)NC=CCCO;MEQKTEFBHVUGPU-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374307;MM374307;C=CCNC(=N)C1(O)CC1;CJFQSWRQCQRSNO-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374308;MM374308;C#CC(=O)NC=CCCC;YUUOPJZESYOBNM-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374309;MM374309;CC1(C(=O)NNC=O)CC1;SWIRURFZZYLRKQ-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374310;MM374310;C#CC(=N)NC=CCNC;KDZWNLFPNCBUOE-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374311;MM374311;N=CNNC(=O)C1(N)CC1;WIUBWJISLKACTO-UHFFFAOYSA-N;142.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374312;MM374312;C#CC(=N)NC=COCC;LMGGQYPJTOBLCZ-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374313;MM374313;NC=NNC(=O)C1(O)CC1;BQRKOQCULLLXKD-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374314;MM374314;C#CC(=O)NC=COCC;QXZQQCPSXXJCGZ-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374315;MM374315;N=C(NOC=O)C1(N)CC1;KFRPMULNPPEESU-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374316;MM374316;C#CC(=C)NC=NCCN;IWETYMBJIZNKLG-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374317;MM374317;C=C(OCC#N)C1(C)CC1;YPDWADXSRNMQHU-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374318;MM374318;C#CC(=C)NC=NCCF;DITTXGFJFQUVDI-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374319;MM374319;C=C(OCC=O)C1(O)CC1;YUYAKOWSKTWCIN-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374320;MM374320;C#CC(=O)NC=NCCC;UPVHIYBJNCIRQS-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374321;MM374321;CC#CCC1CC1(C)O;YAFLETYSJYULNT-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374322;MM374322;C#CC(=O)NC=NCCN;XSOCEXUJILFLNF-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374323;MM374323;C=C(CNC=N)C1(C)CN1;CTUKQVXZJZBMIJ-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374324;MM374324;C#CC(=O)NC=NCCO;WWUNEHIRFGWPIN-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374325;MM374325;C#CC(C)C1(C)CC1O;QKSJYWTVSFTIMQ-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374326;MM374326;C#CC(=O)NC=NCCF;CTEHIRUGHNCKNI-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374327;MM374327;CNN=C(N)C(=O)C=O;HBLCPVFCKNOZDN-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374328;MM374328;C#CC(=O)NC=NNCC;CMDRKOJOJJNYMF-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374329;MM374329;C=C1CC(CC)CC1O;WMMWWMRNSBEGCS-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374330;MM374330;CC(=CF)CC1C(C)C1O;GTVVQALINSCSRW-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374331;MM374331;C=CCNC(=N)C1(C)CO1;VMUIFDBPEICTBW-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374332;MM374332;C=C1C(N)C(C)=NN1C=N;OZQWRIIEKOARQG-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374333;MM374333;CC1(C(=O)NN=CN)CO1;SCJIXZDMYDWSGZ-UHFFFAOYSA-N;143.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374334;MM374334;C#CC(=O)NN=CCCN;JIRAQYLSYWJEGQ-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374335;MM374335;C=CCOC(=C)C1(C)CO1;FTYLQWHVSMTASV-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374336;MM374336;C#CC(=O)NN=CCCO;CWLSIKJSTGAGMW-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374337;MM374337;C#CCCC(=C)C1(C)CC1;XMISMHNATMNGFI-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374338;MM374338;C#CC(=C)OC=CCCC;RDSXHJXSSRVUGD-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374339;MM374339;C#CCCC(=C)C1(N)CC1;YEWRTARKUKJOAJ-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374340;MM374340;C#CC(=C)OC=CCCN;HPYPEKSEQMILNY-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374341;MM374341;C#CC(=C)OC=CCCO;OKBGSZZDISUJRZ-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374342;MM374342;CC1=NC(NN)=NC1=N;LYDAYYJXLXLKDX-UHFFFAOYSA-N;125.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374343;MM374343;C#CC(=O)OC=CCCC;QSSCAHDZDDROJT-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374344;MM374344;C#CCCC(=C)C1(F)CC1;LSOUTOVALHQYOC-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374345;MM374345;C#CC(=C)OC=CCNC;CZBWPHOTVKSLED-UHFFFAOYSA-N;137.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374346;MM374346;C#CCNC(=N)C1(N)CC1;NOVMSGMIGOZUTA-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374347;MM374347;C#CC(=C)OC=CCOC;ZTEYNRAZRKAYOW-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374348;MM374348;C#CCNC(=N)C1(O)CC1;PIIJVBAKZAYTSQ-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374349;MM374349;C#CC(=O)OC=CCOC;VKOKZDYULXGFPX-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374350;MM374350;C#CCNC(=O)C1(O)CC1;XXKFTMRUVMBODE-UHFFFAOYSA-N;139.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374351;MM374351;C#CC(=C)OC=COCC;FWQVLUDHIOZKIV-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374352;MM374352;C#CCNC(=N)C1(C)CN1;OCUORASDVYBRHJ-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374353;MM374353;C#CC(=O)OC=COCC;IVODKPLPBMOXSW-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374354;MM374354;C#CCOC(=C)C1(C)CN1;YODRIDYFDLRBHU-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374355;MM374355;CC(CO)C(C)C1CC1C;MELLCAUBLRGQPY-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374356;MM374356;C#CCC1=CCC(O)C1;OGWSVDNZIDUQEI-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374357;MM374357;C#CC(=C)OC=NOCC;POXIUCQXJRAVHL-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374358;MM374358;CC=CCC(C)C1(F)CC1;KXLSFNOOUSOTMD-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374359;MM374359;C#CC(=O)ON=CCOC;MRSZVGZWTAXLCM-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374360;MM374360;CC(CC=NN)C1(C)CC1;YSLUTZZSAFINFL-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374361;MM374361;C#CC(=O)ON=COCC;XPYIRSINAQETQC-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374362;MM374362;C=C1C(O)CCC1CC;NRSKWKZXOLSLFT-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374363;MM374363;C#CC(=O)CC=CCC=C;QJTMIRGXSJBASN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374364;MM374364;CC(CC=NO)C1(O)CC1;VYAVZCKLQLUNJT-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374365;MM374365;C#CC(=C)CC=CNC=N;JYBWKNZCZIHKJV-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374366;MM374366;CC(CC=NN)C1(F)CC1;GNPXJWCNONGKKZ-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374367;MM374367;C#CC(=O)CC=CNC=N;LIDUWFWVUIYCMV-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374368;MM374368;CC(N=CNN)C1(C)CC1;YJYDVTZELLABTN-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374369;MM374369;C#CC(=C)CC=NNC=O;UQONYPOMFKDKNG-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374370;MM374370;CC=NNC(C)C1(N)CC1;LIOQRTAQHLEVJV-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374371;MM374371;C#CC(=C)CC=NOC=O;LOQYDMVKSYFYDG-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374372;MM374372;CC=COC(C)C1(C)CC1;DKJFAHGDKVSHEL-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374373;MM374373;C#CC(=O)CNC=NC=C;ODIPDUVYEXZPSQ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374374;MM374374;CC=COC(C)C1(N)CC1;BNAIBNMCFCJHSD-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374375;MM374375;C#CC(=O)NC=CCC#N;FBLFCZPDGCVATJ-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374376;MM374376;CC=COC(C)C1(O)CC1;DAOXHMKZDIHFAS-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374377;MM374377;C#CC(=N)NC=CNC=N;BWXOMJGRHIRWHK-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374378;MM374378;CC=COC(C)C1(F)CC1;HTMFUWWRYJSPTE-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374379;MM374379;C#CC(=O)NC=CNC=N;ZUWMLKMVFVRMPH-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374380;MM374380;C#CC(C)C(C=C)CO;PZZOSFGZXRDXDI-UHFFFAOYSA-N;124.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374381;MM374381;C#CC(=O)NC=CNC=O;UBKLNEWESWYUOL-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374382;MM374382;C=CC(C=O)NN=CC;MYZBKIKFNLFMEI-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374383;MM374383;C#CC(=N)NC=COC=C;RQLONODEBILYJJ-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374384;MM374384;CC=NOC(C)C1(C)CC1;ZVVNUNWWJBFTGJ-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374385;MM374385;C#CC(=O)NC=COC=C;CQWULXFUCQMZAZ-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374386;MM374386;CC=NOC(C)C1(N)CC1;UQGGAYGXVGKOSV-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374387;MM374387;C#CC(=O)NN=CCC=O;XLBXWKGGKCYZIH-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374388;MM374388;C=CC(O)C1CC1CC;LETSGCFCMKBMSA-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374389;MM374389;C=CC(C=O)CC=NOC;RLEHPHCNLKJPSX-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374390;MM374390;C#CC(=O)C1NC1C#N;KMBITIKHCPEPGB-UHFFFAOYSA-N;120.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374391;MM374391;C#CC(=C)OC=CCC=C;SMGLMRDLEQUZJI-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374392;MM374392;CC(N=CNN)C1(C)CN1;BPYUEFZSNZFIBT-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374393;MM374393;C#CC(=C)OC=CCC#N;ZFRCGXGUBNHTMM-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374394;MM374394;CC=NOC(C)C1(C)CN1;CFVYOSVNVBTSFN-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374395;MM374395;C#CC(=C)OC=COC=C;PXSWAZSPNRCUCR-UHFFFAOYSA-N;136.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374396;MM374396;CC=COC(C)C1(C)CO1;WVWBBKOPWHIGNN-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374397;MM374397;C#CC(=C)OC=COC=O;FBABBCYSOCAJBR-UHFFFAOYSA-N;138.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374398;MM374398;C=C(CC=CC)C1(C)CC1;USNWFUMGXGRUFN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374399;MM374399;C#CC(=O)OC=COC=C;BSHXOARJWJTRKZ-UHFFFAOYSA-N;138.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374400;MM374400;C=C(CC=CF)C1(C)CC1;LNKCXWBUNRLALN-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374401;MM374401;C=CC(C=O)CC=NN=C;PWVWDOHNEJTBTM-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374402;MM374402;C=C(CC=CC)C1(N)CC1;PRZKWOKUOCOPNQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374403;MM374403;C#CCC=CNC(=N)C#C;SHUHWXQTJWSUOZ-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374404;MM374404;C=C(CC=CF)C1(N)CC1;AZJLSCYKZAGRKA-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374405;MM374405;C#CCN=CNC(=O)C#C;PRZMJDAXAAVDRG-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374406;MM374406;C#CC(C)C1C(C)C1O;INFCCUQSNNJZBS-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374407;MM374407;O=CC(C=O)=NNCCF;HLGXROYKXXVOFT-UHFFFAOYSA-N;146.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374408;MM374408;C=C(CC=NN)C1(C)CC1;CYTIDYJQTUAPEA-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374409;MM374409;C#CCC=NNC(=O)C#C;XEGUXCSNNLZUSC-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374410;MM374410;CC=CNC(=O)C1(C)CC1;SIROVVGJBWSQIF-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374411;MM374411;C#CCC=NOC(=O)C#C;GCPPCSPRVXEFNE-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374412;MM374412;N=C(NC=CF)C1(N)CC1;JEZLCHNLQFFSAD-UHFFFAOYSA-N;143.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374413;MM374413;CC=CC=CCC(C)CN;GOASPVIZJLCLDV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374414;MM374414;CC=CNC(=O)C1(O)CC1;KTJJHIKWJNKQBN-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374415;MM374415;CC(CN)CC=CC=CF;BMUGAIOCJKDLCE-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374416;MM374416;N=C(NC=CF)C1(F)CC1;IGEHNJDIQMORRQ-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374417;MM374417;CCC(CO)CC1CC1C;UTUWPUUWZLNORW-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374418;MM374418;CC=CNC(=O)C1(F)CC1;ZCGZXSGUVNFWFD-UHFFFAOYSA-N;143.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374419;MM374419;CC=CC=CCC(C)CF;FOOXRYLMQBBZNI-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374420;MM374420;CC1(C(=N)NC=NN)CC1;XHMPCAAVEWYYHH-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374421;MM374421;CC(CF)CC=CC=CF;CJEHTFNISXEKIK-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374422;MM374422;CC1(C(=N)NC=NO)CC1;ABPRMTJSQYFTPI-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374423;MM374423;CC=CC=CCC(N)CN;DOFYMXYIQRSAHM-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374424;MM374424;CC1(C(=O)NC=NN)CC1;XDJQCWZMCGIJQY-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374425;MM374425;CC=CC=CCC(N)CO;ZBFCMKUUWTVCJS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374426;MM374426;CC1(C(=O)NC=NO)CC1;KQFUXXOECDRYET-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374427;MM374427;CCC(CO)CC1CC1F;WXOVLHUYOJKKRM-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374428;MM374428;CN=CNC(=O)C1(O)CC1;HAZNEHDSYBFKIY-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374429;MM374429;CC=CC=CCC(O)CN;WLBHCTAVJDDPIR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374430;MM374430;C=C(NC=NC)C1(F)CC1;MFWZTSOOAQVGPY-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374431;MM374431;CC=CC=CCC(O)CF;JNRBYWMKAGRAKN-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374432;MM374432;C=C(CC)C1C(C)C1O;PFMUNFBALJFRJG-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374433;MM374433;NCC(F)CC=CC=CF;GHLYXGFWUPUKPQ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374434;MM374434;CC=C(C)C1C(C)C1O;JYXXVFITGKTTDN-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374435;MM374435;CC=CC=CCC(F)CF;WAXZVSXYQWZGGI-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374436;MM374436;CN=CNC(=O)C1(F)CC1;WUGRYVDUTULNST-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374437;MM374437;CC(CN)CC=CC=NO;YCQUXGXYZHJIEB-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374438;MM374438;CC=NNC(=O)C1(C)CC1;FMVZFCMJURGASE-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374439;MM374439;CCC(C=O)CN1CC1C;YQHFBADAMROSAN-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374440;MM374440;CC=NNC(=O)C1(O)CC1;QIWDSURIUOCXJS-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374441;MM374441;C#CCn1ncc(NC)n1;QKTPJXNPXWKIRU-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374442;MM374442;CC=NNC(=O)C1(F)CC1;XJXJMJRVUZGUIW-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374443;MM374443;CC(CF)CC=CC=NO;SPJQSANSBMYVKA-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374444;MM374444;C=C(OC=CC)C1(C)CC1;MJCOPYFAUJFUST-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374445;MM374445;C#CCc1coc(=NN)o1;KFGHHZUOTHJKTA-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374446;MM374446;CC=COC(=O)C1(O)CC1;IXCJASWNYGPMQC-UHFFFAOYSA-N;142.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374447;MM374447;C=C1C(CC)C=NN1C=N;KCMLYUBNUCZUTP-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374448;MM374448;C=C(OC=CC)C1(F)CC1;AQKYTEMZDHEMOI-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374449;MM374449;OCC(O)CC=CC=NO;ICBPYYCMMNPEBT-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374450;MM374450;CC=NOC(=O)C1(C)CC1;CQADDOJYOOVXRF-UHFFFAOYSA-N;141.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374451;MM374451;CCC(F)CC=CC=NO;ZGLCTOBFIIMZJO-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374452;MM374452;CCC=CC(O)C1CC1;WACDRJIIRHJKFD-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374453;MM374453;NCC(F)CC=CC=NO;YEINEPPMSOJLSS-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374454;MM374454;CC(=CCC=O)C(C)(C)O;HXLZQAQYTXOWEW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374455;MM374455;CC=CC=CCC(C)NC;IZVNDLIXZDQOJM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374456;MM374456;CCCC#CCC(C)(C)O;JRHGSRLNGUKPCC-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374457;MM374457;CNC(C)CC=CC=NO;PDQHSNUJUOYOEB-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374458;MM374458;C=C(N=CNN)C1(C)CO1;SRVVHGBIIDJMEF-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374459;MM374459;CC=CC=CCC(C)OC;MPPYAFFPNDMLQA-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374460;MM374460;CC=NNC(=O)C1(C)CO1;HVKFALPBCALWCP-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374461;MM374461;CC=NN=CCC(C)CC;VFTBUQCJMHQIDA-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374462;MM374462;C=C(OC=CC)C1(C)CO1;TXULDGOFMXAFFZ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374463;MM374463;CC=NN=CCC(C)CN;KXIZEOZBSQEKSC-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374464;MM374464;CC(=O)CNCC(F)=CF;ZPUBNHRYDZSNRO-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374465;MM374465;CC=NN=CCC(C)CO;DYFOBAHNOSUBOF-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374466;MM374466;C=C(OC=NO)C1(C)CO1;AIBWXFAROFBDPC-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374467;MM374467;CC=NN=CCC(C)CF;BOESQSKJRILODR-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374468;MM374468;CC#CCC(C)C1(C)CC1;DOSZPQDLVOZIJG-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374469;MM374469;CC=NN=CCC(N)CC;GFGZINGEGHKOQO-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374470;MM374470;CC#CCC(C)C1(N)CC1;JIEULFGXTZAXEZ-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374471;MM374471;CC=NN=CCC(N)CF;RJLISIDSHQFJQB-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374472;MM374472;C#CCC(O)CC(=C)C#C;PFYSAZKMBUZWFS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374473;MM374473;CC=NN=CCC(O)CC;QFUJJJIBTJUNIX-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374474;MM374474;CC#CCC(C)C1(F)CC1;DJJQETKINXRVTI-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374475;MM374475;CC=NN=CCC(O)CO;YAKJBRLYQPORDB-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374476;MM374476;CC#CCN(C)C1(C)CC1;RYWZVIHWNVPMJF-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374477;MM374477;CC=NN=CCC(F)CC;MSEBCEIHLYMJML-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374478;MM374478;C=C(CC#CC)C1(C)CC1;RHEYBYHINAVCKI-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374479;MM374479;CC=NN=CCC(F)CN;NNNLAZYXAGXMMT-UHFFFAOYSA-N;145.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374480;MM374480;CC#CCC(=O)C1(C)CC1;QUXDFINXBGMLNM-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374481;MM374481;CC=NN=CCC(C)NC;DWDZZDWVGNNZDG-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374482;MM374482;C=C(CC#CC)C1(N)CC1;GPOPAXYXHKCMIB-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374483;MM374483;CC=NN=CCC(C)OC;YNKIXIAGEITYNP-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374484;MM374484;CC(F)C(=O)C(N)=CC#N;JRRPJNHYXLFPKP-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374485;MM374485;CC(CN)N=CC=CNO;BUVTXYPHGOLOTJ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374486;MM374486;C=C(CC#CC)C1(F)CC1;QTMLHQWVABBMQC-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374487;MM374487;CC(CO)N=CC=CNN;IXZUHVXELGPAEP-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374488;MM374488;C=C(CC#CC)C1(C)CO1;OKZOHLPLGHYCTI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374489;MM374489;CC(CO)N=CC=CNO;PKSHXYHATKCPCU-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374490;MM374490;C#CCC(=NOC)C(C)=O;BAQWIQNSJKOLHG-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374491;MM374491;CC#CC1C=CC(O)C1C;AODGUWRITSKNHR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374492;MM374492;NCCCCCC1(N)CC1;YYPHKGCBCCHUJM-UHFFFAOYSA-N;142.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374493;MM374493;CC=CC=NNC(C)CC;OKNZWVQHCIFVHK-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374494;MM374494;NC1(CCCCCO)CC1;RXGVOCIWIKRZHM-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374495;MM374495;CC=CC=NNC(C)CN;WDDVLHOKGZSZGP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374496;MM374496;CNCCCCC1(C)CC1;YLHBVBQWWQSMSW-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374497;MM374497;C=NNC1CC1C(C)C=O;ZQCURFVBHRCQMT-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374498;MM374498;CCNCCCC1(C)CC1;NKNBMVJLZLCMDZ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374499;MM374499;C=C(CC=O)C1CN1CC;LPXJDZKPYNDQIN-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374500;MM374500;CCOCCCC1(C)CC1;UZLWZSYSODIKGM-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374501;MM374501;CC=CC=COC(C)CO;VLQUQAINVKHOEW-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374502;MM374502;CCOCCCC1(N)CC1;PFRPZKGIRQZPBR-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374503;MM374503;CC(CO)OC=CC=NO;LTARELRVPPJHKK-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374504;MM374504;CCOCCCC1(O)CC1;AERYVCHHCAIAKK-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374505;MM374505;COC(C)OC=CC=NN;LUWVNDSCKJLZHT-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374506;MM374506;NCCNCCC1(N)CC1;VFQFTXBAQPQNBS-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374507;MM374507;CC=NN=COC(C)CC;XWVIHHJTIREWKS-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374508;MM374508;NCCNCCC1(O)CC1;JSLZGPIDKWPSLA-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374509;MM374509;CC=NN=COC(C)CN;HRZXZUWZZKEONM-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374510;MM374510;OCCNCCC1(O)CC1;ZTKVRCMSPOMPPS-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374511;MM374511;CC=NN=COC(C)CO;YNMIMMMBACKJQY-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374512;MM374512;CCCOCCC1(C)CC1;YBLQNHSTTUVKKA-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374513;MM374513;CC=NN=COC(C)OC;HJJXTPKXIJCTSF-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374514;MM374514;CC1(CCOCCO)CC1;HLBVSFFODOYICK-UHFFFAOYSA-N;144.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374515;MM374515;CC=CC=NOC(C)CN;WIDZEIKVERFHSJ-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374516;MM374516;CCCOCCC1(N)CC1;NDLDIYCQLVWODD-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374517;MM374517;CC(CN)ON=CC=CF;QMUROGQRXXIKMY-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374518;MM374518;NCCOCCC1(N)CC1;BVLGMGARIPUXRK-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374519;MM374519;C=CC(C)CC=CC=CC;VSWGZMGGGGPYNJ-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374520;MM374520;NCCOCCC1(O)CC1;JQHPDULPHJLLRK-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374521;MM374521;CC=CC=CCC(C)C=O;PSOOFIXLQXKFCM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374522;MM374522;CC1(CNCCCN)CC1;FAXMBKYUTQJNOB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374523;MM374523;CC=CC=CCC(C)C#N;MTLWGLNLQQEAHK-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374524;MM374524;NCCCNCC1(N)CC1;GHZAAFYDGCGFFZ-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374525;MM374525;CC(C=O)CC=CC=CF;FFMXBGRUMINNBY-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374526;MM374526;NC1(CNCCCF)CC1;XBPYMZZMHAPKJT-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374527;MM374527;C=CC(N)CC=CC=CC;UTIWMXWTVTXVIN-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374528;MM374528;CNCCNCC1(C)CC1;FIOOMZAVDXVCFG-UHFFFAOYSA-N;142.25;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374529;MM374529;C#CC=CC1C(O)C1C=C;FSMUPSNHNZLISN-UHFFFAOYSA-N;134.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374530;MM374530;CNCCCNC1(C)CC1;CKCDIJMHRFJXGR-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374531;MM374531;Cc1ncc(N)o1;KTCSSHMFUICZRA-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374532;MM374532;CCNCCNC1(C)CC1;IXZZIWFRESINMN-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374533;MM374533;CC=CC=CCC(O)C#N;GYNJYTOLIXTLEC-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374534;MM374534;CCOCCNC1(C)CC1;NZFVIZDWYAMJRH-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374535;MM374535;O=CC(O)CC=CC=CF;NKWCYSPKHGFYOP-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374536;MM374536;CC1(CCCCCN)CN1;SJCMINSBXAOSIQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374537;MM374537;CC=CC=CCC(F)C=O;BZTRMTFMGAAVQL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374538;MM374538;CNCCCCC1(C)CN1;OULKLEPLIGMHAX-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374539;MM374539;CC=CC=CCC(F)C#N;RYHHYSXNNVVMDQ-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374540;MM374540;CC1(CCOCCN)CN1;OFHFUJNQCSYZRA-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374541;MM374541;C=CC(C)CC=CC=NN;JFUOOTTXJCNCSK-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374542;MM374542;CC1(CCCCCN)CO1;XVQJFIAXKWCJFH-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374543;MM374543;C#CCC1(CO)CC1;SZFNZHCPDLROQQ-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374544;MM374544;COCCCCC1(C)CO1;VTGOQKDVKGIAOI-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374545;MM374545;C=CC(N)CC=CC=NO;ULPLFPZBKBPYHH-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374546;MM374546;CCOCCCC1(C)CO1;VDWGQLUEPXLXPS-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374547;MM374547;N#CC(F)CC=CC=NO;VFXMTRMROPDGLP-UHFFFAOYSA-N;142.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374548;MM374548;CC1(COCCCO)CO1;DEQPRFHPEKZEMP-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374549;MM374549;C=CC(C)CC=NN=CC;KOPAUXQFNBHRNO-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374550;MM374550;C=CCCCCC1(C)CC1;AKZYFOJGZBMJII-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374551;MM374551;C=C1CCC(CO)C1;UBAQZWUNFLAHKC-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374552;MM374552;CC1(CCCCC=O)CC1;XNEKYUMKIBNZEQ-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374553;MM374553;CC=NN=CCC(C)C#N;RNNFJEPOAAZMEP-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374554;MM374554;CC1(CCCCC#N)CC1;AMWLJZAZMYTHID-UHFFFAOYSA-N;137.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374555;MM374555;C=CC(N)CC=NN=CC;DXTOOWTYJLWOBP-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374556;MM374556;N=CNCCCC1(O)CC1;YACNVKRCCIKZQS-UHFFFAOYSA-N;142.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374557;MM374557;C=CC(O)CC=NN=CC;ZEORBRZVNBYTSP-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374558;MM374558;C=NNCCCC1(C)CC1;UELAJEFXBSCCSO-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374559;MM374559;CC=NN=CCC(O)C=O;GKSDBTODINXJIW-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374560;MM374560;C=COCCCC1(C)CC1;APNVUVZYBQXKNA-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374561;MM374561;CC=NN=CCC(O)C#N;KAUYKZVJKGTQPW-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374562;MM374562;CC1(CCNCC#N)CC1;PRPOTHZUSGNICP-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374563;MM374563;C=CC(F)CC=NN=CC;GQEQGZKYURIBEC-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374564;MM374564;C=CC=C1CC(=C)C(O)C1;VDQHXMBCRQTBEM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374565;MM374565;C=CC(C)N=CC=CNN;LZTWLZZDWHQNRI-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374566;MM374566;C=CCNCCC1(F)CC1;OWTBAQDKGZZZCA-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374567;MM374567;N#CCNCCC1(F)CC1;FXWPASBWMQXJIV-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374568;MM374568;C=CC(C)NC=NC=NO;VQBHOYSXJVDRDU-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374569;MM374569;N=CNNCCC1(N)CC1;GEGSDYQHUMZDJJ-UHFFFAOYSA-N;142.21;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374570;MM374570;COc1c[nH]c(N)c1;KQHLNACXJVGWLT-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374571;MM374571;C=CCOCCC1(C)CC1;BBDORFUQUWIYPE-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374572;MM374572;CC(C)(O)CC#CCF;FUWGJHCBCIYFCO-UHFFFAOYSA-N;130.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374573;MM374573;CC1(CCOCC#N)CC1;BVUILVOETSTOKK-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374574;MM374574;CC#CCCCC(C)O;JRISGDGERCSDQJ-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374575;MM374575;C=CCOCCC1(O)CC1;WYGVCNCFDDDMBW-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374576;MM374576;C=CC(C)NN=CC=CC;SAOSMUGBVWLNFM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374577;MM374577;N#CCOCCC1(O)CC1;YNSGXWJDXUPENL-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374578;MM374578;C=CC(C)NN=CC=CF;JWFABPVZJJUITD-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374579;MM374579;C=CCOCCC1(F)CC1;BTJQIMUIAOGNCO-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374580;MM374580;C=CC(C)OC=CC=CC;GSQFDUVEVQELIK-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374581;MM374581;O=CCOCCC1(F)CC1;XTOCBRRAWYWDGF-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374582;MM374582;C=CC(C)OC=NN=CC;IHONSJFLLXQQFA-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374583;MM374583;C=CCCNCC1(N)CC1;MAQQNCFCMVHLCO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374584;MM374584;CC=NN=COC(C)C=O;AHLRACVPPMATST-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374585;MM374585;CC1(NCCCC#N)CC1;ORNYXEUIIRKNCG-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374586;MM374586;CC=CC=CCN(C)C=N;XWGDKHCNKMUZFZ-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374587;MM374587;CC1(CCCNC=N)CN1;GTYYRKXEBZNHTM-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374588;MM374588;CN(C=O)CC=CC=CF;SLZGDUGRCQIOES-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374589;MM374589;C=CCCCCC1(C)CO1;HBKFGCDNQGTEES-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374590;MM374590;C=NN(C)CC=CC=NN;QBBKILRFHXIEPR-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374591;MM374591;C=CCOCCC1(C)CO1;XOWCAZRTJHTOKT-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374592;MM374592;CC=NN=CCN(C)C=N;YZCBUSOJEXEJCA-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374593;MM374593;CC1(CCOCC#N)CO1;KOEJQULDEZJSGU-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374594;MM374594;CC=NN=CCN(C)C=O;HGPMRPQYGSKYQX-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374595;MM374595;C=CCCOCC1(C)CO1;JMAHRMBSBZGAKC-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374596;MM374596;C=NN(C)CC=NN=CC;JHHMQSUYEIYCPR-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374597;MM374597;C#CCCCCC1(C)CC1;KERLGCCJPCTSDX-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374598;MM374598;CN(C=O)NC=CC=NO;KVCOKFYRCYJFDN-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374599;MM374599;C#CCCCCC1(N)CC1;KLKIFFFYPTUXNS-UHFFFAOYSA-N;137.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374600;MM374600;CN(C=N)NC=NC=NN;NBBFVLKDIGWJDH-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374601;MM374601;C#CCNCCC1(C)CC1;FVNSUPSXSCATJU-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374602;MM374602;CN(C=N)NC=NC=NO;RANSCGCDVOQRKM-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374603;MM374603;C#CCNCCC1(O)CC1;LNFDTJRAOJNNSA-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374604;MM374604;CN(C=O)NC=NC=NO;HWAMLIXMBXTARM-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374605;MM374605;C#CCNCCC1(F)CC1;VISFMMNUFWLHFQ-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374606;MM374606;CC=NN=CNN(C)C=N;BBNKNOMRWKLQQB-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374607;MM374607;C#CCOCCC1(C)CC1;RLUGJEOLEYHEAB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374608;MM374608;C#CC(C)CC=CC=CC;LFXPACWFRLLMDW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374609;MM374609;C#CCOCCC1(N)CC1;PYIFYRHZJVUQEO-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374610;MM374610;C#CC(N)CC=CC=CF;NCWHHJYBNZTTAZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374611;MM374611;C#CCOCCC1(O)CC1;PRUSRWSXPNGLAF-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374612;MM374612;C#CC(O)CC=CC=CF;SNVUYDUBFUZLRI-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374613;MM374613;C#CCOCCC1(F)CC1;OFDRTNFMTVNPCP-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374614;MM374614;C#CC(F)CC=CC=CC;NQKVBGABZXKERK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374615;MM374615;C#CCCNCC1(C)CC1;OPXOSUFEPYWIOJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374616;MM374616;C#CC(C)CC=CC=NN;VVYCSULVNBTJBM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374617;MM374617;C#CCCNCC1(N)CC1;UDKYZDYVTLFQNV-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374618;MM374618;C=C(CC=O)C(C)CO;XLXQRCDCYMKSKA-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374619;MM374619;C#CCCNCC1(O)CC1;KDXSBBQWXYZPKR-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374620;MM374620;C#CC(F)CC=CC=NO;GNODYCGQZAZLHE-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374621;MM374621;C#CCCNCC1(F)CC1;KBNCUBPQAFBQNL-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374622;MM374622;C#CC(C)CC=NN=CC;ALPSCORXTXKEBU-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374623;MM374623;C#CCNCCC1(C)CN1;YQCMCLKTZGUWQM-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374624;MM374624;C#CC(N)CC=NN=CC;NXLMGJVWKNPYDW-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374625;MM374625;C#CCCCCC1(C)CO1;SQXVTYUWFNHXIA-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374626;MM374626;C#CC(O)CC=NN=CC;KAHSNNNULAYHDX-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374627;MM374627;C#CCOCCC1(C)CO1;JYBAPWJCFKYAJY-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374628;MM374628;C=CC=C(C)C(C)CO;HNJITPVYQOLHDM-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374629;MM374629;C#CCCNCC1(C)CO1;GRLRIRJUJCIDQW-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374630;MM374630;C#CC(C)OC=CC=NN;LQCGBDOSNJXVQN-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374631;MM374631;C#CCCOCC1(C)CO1;YHGYMQQYWQYYBV-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374632;MM374632;C#CC(C)OC=CC=NO;BRNRFCASHJIZKM-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374633;MM374633;CC=CCCCC1(C)CC1;AWEMTRSCHRBVCO-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374634;MM374634;C#CC(C)OC=NN=CC;PIZTWXGPYPPFNG-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374635;MM374635;CC=CCCCC1(N)CC1;DBUUBCSMAIQBJA-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374636;MM374636;C=C(CC)CC=CC=CC;BISCDOSTCOEOND-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374637;MM374637;N#CC=C1CC2CC2(O)C1;XWTPMCZFWBTUID-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374638;MM374638;C=C(CN)CC=CC=CC;FBEVWRFSVWATKW-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374639;MM374639;CC1(CCN=CNN)CC1;SJHOFPMALVTCGN-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374640;MM374640;C=C(CN)CC=CC=CF;JYIYYCFLHNGUQG-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374641;MM374641;CC=COCCC1(N)CC1;ORCPWUYCGPPARF-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374642;MM374642;C=C(CO)CC=CC=CC;YQVVGIHBJTVOLT-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374643;MM374643;C=C(CC)C1CC1(C)CO;WEFZEETYFPKRBR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374644;MM374644;C=C(CO)CC=CC=CF;WXEHVUKGHRUFGB-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374645;MM374645;ON=COCCC1(O)CC1;AODBZONNBVAOPI-UHFFFAOYSA-N;145.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374646;MM374646;O=C(CO)CC=CC=CF;KRENFYYZDVFVIM-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374647;MM374647;CC=NOCCC1(C)CC1;FRGLYKXCXBBTAG-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374648;MM374648;CC=CC=CCC(=O)CF;DXHKLLGGVJZOLQ-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374649;MM374649;CC=NOCCC1(N)CC1;PDGRIJLBYSHIDB-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374650;MM374650;O=C(CF)CC=CC=CF;WVICWILOUAYJRS-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374651;MM374651;CC=CCNCC1(N)CC1;OWIRFPREOWGRAM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374652;MM374652;C=C(CC)CC=CC=NN;FCDNZWXMAGMQIT-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374653;MM374653;CC=CCCNC1(C)CC1;CQOIOJFBQAZJGT-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374654;MM374654;C=C(CN)CC=CC=NO;XVRHRUQOBGKZSS-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374655;MM374655;CC=CCCCC1(C)CO1;ZNOFJFIWBKDKPO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374656;MM374656;CC(=CC=O)C(C)CO;NATLMAFMRBCPLO-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374657;MM374657;CC1(CCCC=NN)CO1;SAOARXRQROMENV-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374658;MM374658;CCC(=O)CC=CC=NO;GGTJYJXFLBIMBB-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374659;MM374659;CN=CNCCC1(C)CO1;KRRVOFFIPUFPRR-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374660;MM374660;O=C(CO)CC=CC=NO;DXXSDOJHSQNIBG-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374661;MM374661;CC=NOCCC1(C)CO1;BDITZPLBESWAID-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374662;MM374662;CNC(=N)CC=CC=CF;SBVFHBAINMVZPT-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374663;MM374663;CC#CCCCC1(C)CC1;MZOYNJOJWIDJCR-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374664;MM374664;CC=CC=CCC(=N)NN;REGZXFHBOIAFCK-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374665;MM374665;CC#CCCCC1(N)CC1;JNBCGZKJAYQHKO-UHFFFAOYSA-N;137.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374666;MM374666;N=C(CC=CC=CF)NN;BAICBLHRFSYSPI-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374667;MM374667;CC#CCCCC1(C)CO1;USUUMIRDAIZRPN-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374668;MM374668;CC=CC=CCC(=N)NO;OIVDZLZQDOYSBI-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374669;MM374669;CCC=CCCC1(C)CC1;PSQMEPSBLOIYCM-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374670;MM374670;N=C(CC=CC=CF)NO;XODPGJYQUPUOJX-UHFFFAOYSA-N;144.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374671;MM374671;CC1(CCC=CCO)CC1;MQSUPCUGYOLHKA-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374672;MM374672;CNC(=O)CC=CC=CF;YJDTYDQBKHPTNX-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374673;MM374673;CCC=CCCC1(N)CC1;AYQBBZYFOPULLC-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374674;MM374674;C#CC1C(C)C1(O)C=C;SWUXPEXNRWBFPY-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374675;MM374675;NC1(CCC=CCO)CC1;JKFQDYOQPLBDDY-UHFFFAOYSA-N;141.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374676;MM374676;CC=CC=CCC(=O)NO;RIAYGJSKADPELN-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374677;MM374677;C#CC1(CC(O)C=C)CC1;NWPRYWHRPKUZKB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374678;MM374678;CNC(=O)CC=CC=NO;HEPCXZGHBUBKSE-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374679;MM374679;CCC=CCCC1(F)CC1;SZWVKERICZNQIE-UHFFFAOYSA-N;142.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374680;MM374680;C#CCC(CO)CC=C;DNMVTZBOLVCIRG-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374681;MM374681;CON=CCCC1(C)CC1;JWQAFNOLVAUWQO-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374682;MM374682;NNC(=O)CC=CC=NO;ZGKAENTWYMZQRD-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374683;MM374683;CON=CCCC1(N)CC1;SDNHEKAGGXOIPQ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374684;MM374684;COC(=O)CC=CC=CF;BOBMZPWPVCEPDP-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374685;MM374685;CCN=CNCC1(C)CC1;WHVMONSNNJXSLD-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374686;MM374686;C=C(CC=CC=NN)OC;MUEIOBREFMVQBL-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374687;MM374687;CCN=CNCC1(N)CC1;SUCLZXORKYBBRG-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374688;MM374688;C=C(CC=CC=NO)OC;BGZIVJHEEADEAC-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374689;MM374689;C=C(CC)CC1(CO)CC1;ALVMQHKRGPYYFR-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374690;MM374690;C=C(CC)CC=NN=CC;NCVYULSTPFYYGI-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374691;MM374691;C=C(CCC=O)C(O)CC;NJUZPTDWNMIOHL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374692;MM374692;C=C(CN)CC=NN=CC;YXKXKACTJUPIAR-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374693;MM374693;COC=NNCC1(N)CC1;DBBPYMGMRFTVEA-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374694;MM374694;C=C(CO)CC=NN=CC;BVVOBFXUEYLKDX-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374695;MM374695;C#CC=CC(F)C(C)=NN;NCDJTCVDZDBBBK-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374696;MM374696;C=C(CF)CC=NN=CC;GWNLJGHTEYBOID-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374697;MM374697;COC=NOCC1(C)CC1;LVIHHRSTEKVVDG-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374698;MM374698;C=C1C(C)C=C(C)C1O;UFBNOVIAXNBWPN-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374699;MM374699;N#CC=CNNC(=N)C#N;QDXXTLRDCYXIAR-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374700;MM374700;CC=NN=CCC(=O)CO;AVWUXEQCNHUGEY-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374701;MM374701;COC=NOCC1(F)CC1;DHVXMZMWXUAWAQ-UHFFFAOYSA-N;147.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374702;MM374702;CC=NN=CCC(=O)CF;GNNHNGVWOOTBMB-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374703;MM374703;CCC=CCNC1(C)CC1;XXUGKUDDJQJYKH-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374704;MM374704;CC=NN=CCC(=N)NC;ASASJOCUKPGKIL-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374705;MM374705;CC1(CCC=CCN)CN1;FCQSOYPWBONILC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374706;MM374706;CC=NN=CCC(=N)NN;UTLBIKVUKYXINA-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374707;MM374707;CC1(COC=CCN)CN1;APZTZODGRUYSFZ-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374708;MM374708;CC=NN=CCC(=N)NO;ZRVJOTAGGYVJAK-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374709;MM374709;CCC=CCCC1(C)CO1;UEFKQOKQWUPTHO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374710;MM374710;CC=NN=CCC(=O)NC;PFLGVLLLUZGZMI-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374711;MM374711;CC1(CCC=CCO)CO1;YMCBHKAVXUHLJO-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374712;MM374712;CC=NN=CCC(=O)OC;IUGOLLRJCWIABA-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374713;MM374713;CCC=NNCC1(C)CO1;ROJUOAWPZDSMDW-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374714;MM374714;CC=CC=CNC(=N)CC;FYZZCVXVNOFICD-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374715;MM374715;C=CC=CCCC1(C)CC1;ZVHQJEQUIWMLJV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374716;MM374716;CC=CC=CNC(=O)CO;OIQSZEZKRCLOPN-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374717;MM374717;CC1(CCC=CC=O)CC1;WNPOPXHRNVGOKZ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374718;MM374718;N=C(CO)NC=CC=NO;XSEYATYUMHREDS-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374719;MM374719;CC1(CCC=CC#N)CC1;GSQTYCSVAQGGAG-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374720;MM374720;CC=CC=CNC(=N)NC;XXGHOVJRARQKEF-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374721;MM374721;C=CC=CCCC1(N)CC1;WWQXBWNLXYRYID-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374722;MM374722;CC=CC=CNC(=N)NO;JUGYGPZBVIWIBL-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374723;MM374723;CCC#CCCC1(O)CC1;UVLMXYBOVPFRLM-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374724;MM374724;CNC(=O)NC=CC=CF;UYTOJCLLLXFQTK-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374725;MM374725;C=CC=CCCC1(F)CC1;PLHQUWUXNGHESN-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374726;MM374726;C=C1CC(C)=C(C)C1O;QJFGUQUCYIICOM-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374727;MM374727;N#CC=CCCC1(F)CC1;XYZBLRPQDOPDLL-UHFFFAOYSA-N;139.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374728;MM374728;CC=C1CC=C(C)C1O;COAOZYQEWTUIRR-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374729;MM374729;CC1(CNC=CC#N)CC1;XTBOVDKDGNCDRT-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374730;MM374730;CC=CC=CNC(=O)NO;AIXZMQIPIFIQQY-UHFFFAOYSA-N;142.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374731;MM374731;C=CC=NNCC1(N)CC1;HDFHTJOJVDNRND-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374732;MM374732;O=C(NO)NC=CC=CF;HIXXDBOGRSKMHN-UHFFFAOYSA-N;146.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374733;MM374733;CC1(CON=CC#N)CC1;BDBQHUHPJZJKIA-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374734;MM374734;CNC(=N)NC=CC=NN;WMLZPZXFEWIBPL-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374735;MM374735;C=CC=NOCC1(N)CC1;FWCHETNIQSONBI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374736;MM374736;CNC(=N)NC=CC=NO;FOCUXEYUVPMHTC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374737;MM374737;C#CC(CF)NN=COC;QCBUZYYJDDUDCN-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374738;MM374738;N=C(NN)NC=CC=NN;LPDRQUBSMFDNCR-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374739;MM374739;N#CC=NOCC1(O)CC1;YXEJYWDEWJTMMK-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374740;MM374740;N=C(NN)NC=CC=NO;IINVYOCCVFDLGJ-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374741;MM374741;C=CC=NOCC1(F)CC1;LTADXPGEMFKRCF-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374742;MM374742;N=C(NO)NC=CC=NO;HLKXOPMIHBAJRG-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374743;MM374743;C=CC(C=O)NN=CCC;BNTDLHJRUWWFQJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374744;MM374744;Nc1c(F)ncn1C=O;IZWZPHSDWCBKMF-UHFFFAOYSA-N;129.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374745;MM374745;C=CC=CCCC1(C)CO1;HUDOEBHSJKMVPD-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374746;MM374746;CC1(CCC=CC#N)CO1;GHQIUVQYZINABP-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374747;MM374747;NNC(=O)NC=CC=NO;NDSQVINLORAZAY-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374748;MM374748;CC1(CNC=CC#N)CO1;BDFAWMPJIVQWRK-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374749;MM374749;O=C(NO)NC=CC=NO;OHXIYMPZHYDDQF-UHFFFAOYSA-N;145.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374750;MM374750;CC#CC(F)C(CC)=NN;ZGRLWRMIUUJGSE-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374751;MM374751;CC=CC=CNC(=O)OC;LWRSTTDWRIXPCK-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374752;MM374752;C#CC=CCCC1(C)CC1;SULKXMPPAGNPBU-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374753;MM374753;C=C(CC)NC=NC=NO;GDMDDGJERHEOLW-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374754;MM374754;C#CC=CCCC1(N)CC1;MUNLUSVKGSTJEN-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374755;MM374755;C=C(CN)NC=NC=NO;PDOZGUNAUSGUGA-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374756;MM374756;C=C1C(CC)=CC2CC12O;OTUYVLBLPRRGKW-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374757;MM374757;CCC(=N)NC=NC=NN;WJHFXLGNACQGLL-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374758;MM374758;C#CC=NNCC1(N)CC1;CWNRAVMMJFCIBV-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374759;MM374759;N=C(CN)NC=NC=NO;DHTIXZLQIKZAEF-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374760;MM374760;C#CC=NNCC1(F)CC1;RQARAONAMLVPGZ-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374761;MM374761;N=C(CO)NC=NC=NO;YJCJCKDSOGYWPG-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374762;MM374762;C#CC=COCC1(C)CC1;JZDYUDNJJKDISJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374763;MM374763;CCC(=O)NC=NC=NC;PDDBHGLCNDJGOJ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374764;MM374764;C#CC=COCC1(N)CC1;FYWBBXNRHJDBOP-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374765;MM374765;NCC(=O)NC=NC=NO;SSUXEKMWJTVLNQ-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374766;MM374766;C#CC=COCC1(O)CC1;XTJFGEIEYZTPTP-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374767;MM374767;CN=CN=CNC(=O)CO;GQWBSSLMDMIDKV-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374768;MM374768;C#CC=COCC1(F)CC1;DNRGUJOLZIDNTR-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374769;MM374769;NN=CN=CNC(=O)CO;PHAQKUWMXTVSBM-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374770;MM374770;CC1CC1(F)C1NC1C=O;ZIPRZSKUHQCXQE-UHFFFAOYSA-N;143.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374771;MM374771;O=C(CF)NC=NC=NO;DAEOFTXJKPNYGO-UHFFFAOYSA-N;147.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374772;MM374772;C#CC=NOCC1(C)CN1;LBTYTFKXJFRPAJ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374773;MM374773;CC#CC1CC(C)C1O;QUMNUVWTHMPSLC-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374774;MM374774;C#CC=CCCC1(C)CO1;PCMDNIDEGGNSLM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374775;MM374775;N=CN(C=O)NCC=O;NPWHEBUGEWXEBW-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374776;MM374776;C#CC=NNCC1(C)CO1;LLXUEUZPUYZDFA-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374777;MM374777;CC=NN=CNC(=N)CC;ITDLEDMQFAKDEO-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374778;MM374778;CCC#CCCC1(C)CC1;SOODHFBNYUMREI-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374779;MM374779;C=CC=CC(CC)CO;KMTMBKSBVORNQO-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374780;MM374780;CC1(CCC#CCN)CC1;QEGAHDGCFDJZIZ-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374781;MM374781;CC=NN=CNC(=O)CC;WNCYSMFJIHERRU-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374782;MM374782;CC1(CCC#CCO)CC1;GRWXKVDLVAADJS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374783;MM374783;CC=NN=CNC(=O)CF;ACDNTQQCHQWKAJ-UHFFFAOYSA-N;145.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374784;MM374784;CN=CN=CNC(=N)NC;XLKSXRYXUKTCNU-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374785;MM374785;CCC#CCCC1(N)CC1;WJGDKNJFRPJXPJ-UHFFFAOYSA-N;137.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374786;MM374786;CN=CN=CNC(=N)NN;LAGLKPNMWFSGSD-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374787;MM374787;NCC#CCCC1(N)CC1;JMDILXVBXXZJFE-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374788;MM374788;N=C(NN)NC=NC=NN;BXGLBXKHKJEHCR-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374789;MM374789;C#CC12CC(O)C(=C)C1C2;ZDYPVZQUINGLID-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374790;MM374790;CN=CN=CNC(=N)NO;ZKEFAMKOAQHZMZ-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374791;MM374791;NCC#CCCC1(O)CC1;UBBRKGQSGULXNP-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374792;MM374792;N=C(NO)NC=NC=NO;IOBPUMQZLPTTGG-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374793;MM374793;CCC#CCCC1(F)CC1;MGTMFIAZFHESEC-UHFFFAOYSA-N;140.2;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374794;MM374794;CCC(C=CC=O)CO;QDHJQOCLFONSAN-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374795;MM374795;NCC#CCCC1(F)CC1;FXHVNTBPMQGUTL-UHFFFAOYSA-N;141.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374796;MM374796;CNC(=O)NC=NC=NO;HAEABRPJVJGDTO-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374797;MM374797;CCC#CCNC1(C)CC1;NCLVDVLPDPFIMT-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374798;MM374798;CC=C1CCC(CO)C1;BNCWBLLDUVQPPN-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374799;MM374799;CC1(NCC#CCN)CC1;XGXFEHWNXADAOJ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374800;MM374800;OCC1CCC(=CF)C1;VQAWPMOUFFXVPJ-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374801;MM374801;CCC#CCOC1(C)CC1;DJYJUBPZZZJRNE-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374802;MM374802;NNC(=O)NC=NC=NO;MLFSZRKJDKXPPD-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374803;MM374803;CC1(OCC#CCN)CC1;JOHWUHLGPMCKRQ-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374804;MM374804;CN=CN=CNC(=O)NO;ZLCMNWONJYNBGY-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374805;MM374805;CC1(CCC#CCN)CN1;MPQHIGOVVIUYOE-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374806;MM374806;NN=CN=CNC(=O)NO;JMIDVYFCBVHTMJ-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374807;MM374807;CCC#CCCC1(C)CO1;KRCHZQNCVDKJTA-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374808;MM374808;O=C(NO)NC=NC=NO;BJDIQXWARCOKJH-UHFFFAOYSA-N;146.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374809;MM374809;CC1(CCC#CCN)CO1;URSZNEQZNLDYJD-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374810;MM374810;CC=NN=CNC(=O)NN;NUWXWDKTJIKATI-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374811;MM374811;C=CC#CCCC1(C)CC1;KKHUHHIBNZGXCX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374812;MM374812;CC=NN=CNC(=O)NO;GSNVCVGJLOPPNO-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374813;MM374813;CC1(CCC#CC=O)CC1;OWJYCTCVNXRKKZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374814;MM374814;N#CC(=O)C1CN1C=O;DPURSWZHBQKCDA-UHFFFAOYSA-N;124.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374815;MM374815;CC1(CCC#CC#N)CC1;PJHMBDIPYQTRNE-UHFFFAOYSA-N;133.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374816;MM374816;CN=CN=CNC(=O)OC;CYDGUMKSXVEVOX-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374817;MM374817;C=CC#CCCC1(N)CC1;JJABGQXOLUHZGA-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374818;MM374818;COC(=O)NC=NC=NN;VMXHNNAWOYFYMW-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374819;MM374819;C=C1CC2(C#N)NC2C1=O;CPGOBTFULCZGGJ-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374820;MM374820;COC(=O)NC=NC=NO;JEPUZWLMBXDGCL-UHFFFAOYSA-N;145.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374821;MM374821;C#CC1NN=C(OC)C1=C;UCKCWRGXNVBNGD-UHFFFAOYSA-N;136.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374822;MM374822;CC(CO)C(C)C(C)(C)C;OGLNZPTVHBSMJM-UHFFFAOYSA-N;144.26;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374823;MM374823;C=CC#CCCC1(F)CC1;QWWVOKPSHPMTTR-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374824;MM374824;CCC(CO)CC(C)(C)C;KYQYUTSVTAXXAY-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374825;MM374825;N#CC#CCCC1(F)CC1;XAJOARBSZGWMSY-UHFFFAOYSA-N;137.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374826;MM374826;C#CC(=CC(C)(C)O)CC;CCAOWEJOCRUYIY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374827;MM374827;N=CC=CNNC(=N)CO;YWNLYXBUXOMBSM-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374828;MM374828;C=CC#CCNC1(C)CC1;AXHNKHHSPQAGKM-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374829;MM374829;C=C(C)C=C(C)C(C)CO;XXHXFYRICMEFOH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374830;MM374830;C=CC#CCOC1(C)CC1;QZSWSVUHAXWHSR-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374831;MM374831;N=CC=CNNC(=O)CF;ROOGNXZPZRPIIJ-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374832;MM374832;CC1(OCC#CC#N)CC1;ZVIUKAQNRWRLIT-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374833;MM374833;CC(=O)C=C(C)C(C)CO;ULMDUOJBRNCMPG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374834;MM374834;C=CC#CCCC1(C)CO1;IEICUYCVCPTKAM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374835;MM374835;CC=CC=NNC(=N)NC;ROHJHHPWTBFPMZ-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374836;MM374836;CC1(CCC#CC#N)CO1;QQBOLLQTYMGYFI-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374837;MM374837;N=C(NN)NN=CC=CN;JCWPDNPPLUXDQD-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374838;MM374838;C#CC#CCCC1(C)CC1;BPEACLXJTITDCP-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374839;MM374839;CNC(=O)NN=CC=CF;OKBFWRHNFAPNGT-UHFFFAOYSA-N;145.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374840;MM374840;C#CC#CCCC1(N)CC1;PZTCGKNEDSQFJK-UHFFFAOYSA-N;133.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374841;MM374841;CC=CC=NNC(=O)NN;XFLLKEDVPOUOFS-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374842;MM374842;C=CC(C#N)N1CC1C=O;GTGAOXAJYLUJIP-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374843;MM374843;CC=CC=NNC(=O)NO;VAGJDVBYWGKLTE-UHFFFAOYSA-N;143.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374844;MM374844;C#CC#CCCC1(F)CC1;VICRVNBPOPDTLC-UHFFFAOYSA-N;136.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374845;MM374845;O=C(NO)NN=CC=CF;KPJVMQLLPZQMJR-UHFFFAOYSA-N;147.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374846;MM374846;C#CC#CCNC1(C)CC1;SFJPJJQNJWOBON-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374847;MM374847;N=C(NN)NN=CC=NN;KVHIPEOHFRGCRH-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374848;MM374848;C#CC#CCOC1(C)CC1;CBEXSMPVGZCUAB-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374849;MM374849;N=C(NN)NN=CC=NO;XNCFPYYPPBCUOQ-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374850;MM374850;C#CC#CCCC1(C)CO1;ZCOSVUCJQNIOHR-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374851;MM374851;C#CCC=CC(O)CC=C;KITZWAZQAVEHIM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374852;MM374852;CCCC1C(C)C1(C)CC;ZUXPROPJVUPFII-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374853;MM374853;CNC(=O)NN=CC=NO;OBJVWVZWWALVPH-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374854;MM374854;CCC1(C)C(C)C1CCN;HLTXNWRLEKUEGV-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374855;MM374855;N=CNC(=NC=O)OC=O;YAJJOMSVIQFAJP-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374856;MM374856;C#CC1CC1C(C=C)CO;YUKZLAOYGXSMFQ-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374857;MM374857;NNC(=O)NN=CC=NO;MSZQLUXXSYUVOL-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374858;MM374858;CCC1(C)C(C)C1CCF;XVXBRTRAHIIEHK-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374859;MM374859;NN=CC=NNC(=O)NO;WGRVKLACMYBJEG-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374860;MM374860;CCCC1C(C)C1(C)CN;CJNKXMOFHWIWDG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374861;MM374861;O=C(NO)NN=CC=NO;MZNDOSUAHNBMIB-UHFFFAOYSA-N;146.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374862;MM374862;CC1C(CCO)C1(C)CN;GAWJRAQCDMJQKV-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374863;MM374863;CC(=O)c1nn(C)c(=N)o1;FSRPKRNAPMQGCR-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374864;MM374864;CCC=C(C)C1C(C)C1O;DXJMNSCMZGRXTG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374865;MM374865;COC(=O)NN=CC=CF;IPGMRRAAMABVKF-UHFFFAOYSA-N;146.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374866;MM374866;CCCC1C(C)C1(C)CF;ULVFOEJTKHJVAJ-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374867;MM374867;C#CC(C)(CO)CC=CC;NJYNSCAKYQBHGO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374868;MM374868;CC1C(CCF)C1(C)CF;ASBZOIJRLRXAJR-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374869;MM374869;COC(=O)NN=CC=NN;NYHPOTSGXNABMX-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374870;MM374870;CCCC1C(N)C1(C)CC;NDYIVTDHXSTNIC-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374871;MM374871;C=C(CO)OC=CC=CC;NMQUAMZJXLGHKG-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374872;MM374872;CCC1(C)C(N)C1CCO;SIVAVEBTKNGSKK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374873;MM374873;C=C(CF)OC=CC=CC;RSXPEVVYRUNWHG-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374874;MM374874;CCC1(C)C(N)C1CCF;YDMAXZPTHOCIKV-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374875;MM374875;O=C(CO)OC=CC=CF;CZGCIZFTADEXMM-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374876;MM374876;CC1(CN)C(N)C1CCF;XINJZDTZJPCVNF-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374877;MM374877;C=C(CC)OC=CC=NN;LDNTWWBXEHOMEQ-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374878;MM374878;CC1(CF)C(N)C1CCN;PYQQLXJIIPCJCW-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374879;MM374879;C=C(CF)OC=CC=NO;VEXLRZDEXCTWLA-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374880;MM374880;CC1(CF)C(N)C1CCO;CPBCHQKPOBTIPT-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374881;MM374881;CCC(=O)OC=CC=NN;HXIPGSCWKQIXDA-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374882;MM374882;CC1(CF)C(N)C1CCF;NUYCZSMHUVTDDD-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_C4";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374883;MM374883;CCC(=O)OC=CC=NO;MGUOEXSZOULFPB-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374884;MM374884;CCC1(C)C(O)C1CCO;DHLYNPGGCWZDBU-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374885;MM374885;O=C(CO)OC=CC=NO;PSIIYRRKPKIXKX-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374886;MM374886;CCCC1C(C)C1(N)CC;BFALNGPJVGIYFX-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374887;MM374887;C=C(CC)OC=NN=CC;OMZXSYHHIKBSGJ-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374888;MM374888;CCC1(N)C(C)C1CCN;HFDQQNDOBKKRTB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374889;MM374889;C=C(CN)OC=NN=CC;ASNPBZFJEBFRJT-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374890;MM374890;CCC1(N)C(C)C1CCO;WZXXINYMBMUDSV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374891;MM374891;C=C(CO)OC=NN=CC;UDXDLGFQIJYPDN-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374892;MM374892;CCC1(N)C(C)C1CCF;ILANMALUGMMWSC-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374893;MM374893;CC=NN=COC(=O)CC;HCDIKUSSCIHNFG-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374894;MM374894;CCCC1C(C)C1(N)CN;KLRQWINZNWOLCZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374895;MM374895;CC=NN=COC(=O)CO;HMNSJFIYMNLLFE-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374896;MM374896;CC1C(CCN)C1(N)CN;MJRMINKDJUSVSK-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374897;MM374897;CC=NN=COC(=O)NC;DPKJNKAAUBHCTC-UHFFFAOYSA-N;143.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374898;MM374898;CC1C(CCO)C1(N)CN;CMNPRSDZZVVBCY-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374899;MM374899;CC=NN=COC(=O)NN;KNTGDZNJVJWOIX-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374900;MM374900;CCCC1C(C)C1(N)CO;DHCGVZZFHBYMKK-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374901;MM374901;CC=NN=COC(=O)OC;ZSRAPLQCCUUHFU-UHFFFAOYSA-N;144.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374902;MM374902;CC1C(CCN)C1(N)CO;PEMOQKLBCCFQNE-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374903;MM374903;C#CC(C)(CO)CC=CF;XYPZZACHSYTTDS-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374904;MM374904;CC1C(CCO)C1(N)CO;ZNGKDXIBILAIAP-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374905;MM374905;O=NC=CNOC(=O)CF;DAXJBGZRMSZXFH-UHFFFAOYSA-N;148.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374906;MM374906;CC1C(CCF)C1(N)CO;IDJBUIZQNALXJS-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374907;MM374907;CCC(CO)CC1(C)CC1;FYIBPNGAEWLNLV-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374908;MM374908;CC1C(CCO)C1(N)CF;RKTWSDBIFJFIAF-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374909;MM374909;CC=CC=NOC(=O)NN;LMGYESCYPZOJLY-UHFFFAOYSA-N;143.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P5";;;;;;;0.85;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374910;MM374910;CCC1(N)C(N)C1CCO;PVULISXJJZHUOI-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374911;MM374911;C#CC(C=C)CCC(C)O;HJFCZIWTQSVVEY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374912;MM374912;CCC1(N)C(N)C1CCF;QVWDXUJBCDJTRH-UHFFFAOYSA-N;146.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374913;MM374913;N=C(NN)ON=CC=NO;IXRNKPMCMZOAQC-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374914;MM374914;CN1C(C=O)C1C=CC#N;ZLMDLYMAQSTBRL-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374915;MM374915;C=CC(CO)CCC(=C)C;RBWKGAFCAKGACG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374916;MM374916;CC1C(CCO)C1(O)CN;QAVKHUHGCGPKSI-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374917;MM374917;N=C(NO)ON=CC=NO;IDRIQRGIHLEESS-UHFFFAOYSA-N;146.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374918;MM374918;CC1C(CCF)C1(O)CN;VELQCFVJRWCCSA-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374919;MM374919;NN=CC=NOC(=O)NN;PWNGUYQTUPBFBA-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374920;MM374920;CC1C(CCO)C1(O)CO;SFKHNNFFPAZOJS-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374921;MM374921;COC(=O)ON=CC=CF;DEERJBAHSIXWHX-UHFFFAOYSA-N;147.11;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374922;MM374922;NC1C(CCF)C1(O)CO;ZNIDFDYVGPBCPC-UHFFFAOYSA-N;149.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374923;MM374923;C=C(C=O)CC=CC=CC;MEGHTHALOQGSRK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374924;MM374924;CCCC1C(C)C1(F)CC;ABKVCTMBJQMULP-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374925;MM374925;C=CC(=O)CC=CC=CC;MWKCDMQRDLFMFD-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374926;MM374926;CCC1(F)C(C)C1CCO;MYPDUULPRXRXIT-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374927;MM374927;CCC1(F)C(C)C1CCF;DDZPUVCAWAIWJO-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374928;MM374928;CC=CC=CCC(=O)C=O;OBTZZHCJMWJGLY-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374929;MM374929;CC=CC=CCC(=O)C#N;MQBMFNLYRPQDOI-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374930;MM374930;CCCC1C(C)C1(F)CN;CXGQTZPVTIFMTQ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374931;MM374931;CC1C(CCF)C1(F)CN;XBZCUBFOGUATKY-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374932;MM374932;C=CC(=C)CC=NN=CC;CPDWTMKWYUTNJG-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374933;MM374933;C=C(C=O)CC=NN=CC;CYIWPAKHZMGZMP-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374934;MM374934;CC1C(CCO)C1(F)CO;MZBTXOBEPWZNCO-UHFFFAOYSA-N;148.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374935;MM374935;C=C(C#N)CC=NN=CC;MZLLTBBJGDHMHU-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374936;MM374936;CCCC1C(N)C1(F)CC;ATHYZDMBSAAZCL-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374937;MM374937;CCC1(C)C(C)C1CNC;LLKVTVNHSWIROE-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374938;MM374938;C=CC(CO)CCC(C)=O;QFADPVDFOJZJER-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374939;MM374939;CNCC1C(C)C1(C)CN;NJDVEAFUSLUELC-UHFFFAOYSA-N;142.25;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374940;MM374940;CC=NN=CCC(=O)C=O;CKIJDTZEJAVLKC-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374941;MM374941;CNCC1C(C)C1(C)CO;MYTCYSAFAJSSKQ-UHFFFAOYSA-N;143.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374942;MM374942;CC=NN=CCC(=O)C#N;LCAVFVXPURXVFE-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374943;MM374943;CCC1(C)C(N)C1CNC;BCUDUKVUQRFXMF-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374944;MM374944;CC=CC=CN=C(N)C=O;YSEHUBYTWBXYSR-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374945;MM374945;CNCC1C(N)C1(C)CN;SYSAJMDATYXORO-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374946;MM374946;C=CC(=O)NC=CC=CC;DUJYBVNYDBWZBT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374947;MM374947;CCC1(N)C(C)C1CNC;XWILUBFWDMWQTJ-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374948;MM374948;CC=CC=CNC(=O)C=O;RRPHFTFQFRRRGE-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374949;MM374949;CNCC1C(C)C1(N)CN;HQSYZLBEGJGZHM-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374950;MM374950;CC=CC=CNC(=O)C#N;CQLAZIFJINDEKX-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374951;MM374951;CNCC1C(N)C1(N)CN;RUODSZAVCRESTR-UHFFFAOYSA-N;144.22;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374952;MM374952;O=CC(=O)NC=CC=CF;KLXCHFHXCPYDMI-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374953;MM374953;CNCC1C(C)C1(O)CN;OKLVJLPSSAFZQZ-UHFFFAOYSA-N;144.22;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374954;MM374954;C=CC(CO)CCC(=C)F;FFXMYSPMEJXBAK-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374955;MM374955;CNCC1C(C)C1(O)CO;XIRCEJXXJFMCTH-UHFFFAOYSA-N;145.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374956;MM374956;N#CC(=O)NC=CC=NO;KXNDYGAIYQDJOT-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374957;MM374957;CNCC1C(N)C1(O)CN;PIHMEMIUIHXHLC-UHFFFAOYSA-N;145.21;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374958;MM374958;C=CC(=C)NC=NC=NO;HKUMZPYWWWZPEK-UHFFFAOYSA-N;139.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374959;MM374959;CCC1(F)C(C)C1CNC;OPAITAUVFMRDPL-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374960;MM374960;C=C(C)C=CC(CC)CO;XUSYLRISWQPGHY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374961;MM374961;CCC1(C)C(C)C1COC;FDBQSIMYUIOCMX-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374962;MM374962;CCC(C=CC(C)=O)CO;LUIAZJILRQNLHM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374963;MM374963;COCC1C(C)C1(C)CN;QKCBETVDLKBDAF-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374964;MM374964;C=CC(=N)NC=NC=NN;JVXXLGSZJBBBLS-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374965;MM374965;COCC1C(N)C1(C)CF;RWVGKTHIQVCGAJ-UHFFFAOYSA-N;147.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374966;MM374966;N#CC(=N)NC=NC=NO;NEVSCXKEUCIYHZ-UHFFFAOYSA-N;139.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374967;MM374967;CCC1(N)C(C)C1COC;VMTQGCCGHUWLPL-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374968;MM374968;C=CC(=O)NC=NC=NN;BRUGEHHOBZVEPV-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374969;MM374969;CCC1(F)C(C)C1COC;RVENODKGXWOLAU-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374970;MM374970;C#CC(C)(O)C(O)C(=O)O;OBAVRZSVVDAITK-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374971;MM374971;CNC1(C)C(O)C1CCO;WKDCMUPNIROJGK-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374972;MM374972;N#CC(=O)NC=NC=NO;AKPWQABKIPXGJK-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374973;MM374973;CCNC1C(C)C1(C)CC;QQTQLEPZSPJGDB-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374974;MM374974;C=C(F)C=CC(CC)CO;HOSMIFHNRLNWCA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374975;MM374975;CCNC1C(C)C1(C)CN;LNWYWNGTONGRHC-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374976;MM374976;C=CC(C=C)=CCC(C)O;OUXNLNGPVIIDEC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374977;MM374977;CCNC1C(C)C1(C)CO;YHSUNIUXWCXVPC-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374978;MM374978;C=CC(C=O)=CCC(C)O;AUPBQPCGWJGSDW-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374979;MM374979;CCNC1C(N)C1(C)CF;HOBQRHSCUSKWIG-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374980;MM374980;C=CC(=N)NC=NN=CC;JUHQXBGTDHURTQ-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374981;MM374981;CCNC1C(C)C1(N)CC;KDYNKTZBXSEOKR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374982;MM374982;C#CCOC(N)=NNC=N;SLCXUNJANZEKQB-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374983;MM374983;CCNC1C(C)C1(N)CN;CZCHGJAPJNXJTI-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374984;MM374984;C=CC(=O)NC=NN=CC;YSSJJKVYOOGLEC-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374985;MM374985;CCNC1C(C)C1(O)CC;KYSVYDUAGPCVBD-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374986;MM374986;C=CC#CCCC1(O)CC1;DQUZVFUMDKGBGV-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374987;MM374987;CCNC1C(C)C1(O)CN;GJYBOCTUZNVZDU-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374988;MM374988;C#CCC1C(O)C1(C)C#C;DILMZBMKELUKRE-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374989;MM374989;C=NNC=C(C#N)N=NC;SEJBYCNZFIDPJU-UHFFFAOYSA-N;137.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374990;MM374990;CCNC1C(N)C1(C)OC;HELNOQRRAUSFGR-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374991;MM374991;C=CC(=NNC=N)OCC;CWRYNYISSXVTGC-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374992;MM374992;CCOC1C(C)C1(C)CN;VZEJVZYYKSYQDG-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374993;MM374993;O=CC(=O)NN=CC=CF;GKDVTUIDQWOCJF-UHFFFAOYSA-N;144.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374994;MM374994;CCC1(C)C(CCN)N1C;PRDPKHZFAXOFFR-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374995;MM374995;N#CC(=O)NN=CC=CF;DXWQOEWDQFWBSX-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374996;MM374996;CCC1(C)C(CNC)N1C;VPOORARETRUJGB-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374997;MM374997;CCC1(C)C(C)N1CCN;PZPLIIBPDVYKQG-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374998;MM374998;CCON=C(CF)C(C)=O;JIPDCEDMCORZIU-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM374999;MM374999;O=CC(=O)NNC=CN=O;MYTILMWWEVRBEH-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375000;MM375000;C=CCC1C(C)C1(C)CC;MQJJPSDQRHAGMJ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375001;MM375001;C=CC(=C)OC=CC=CC;GVMMVEOQLRRVHN-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375002;MM375002;CCC1(C)C(C)C1CC=O;ZPFJSADHAPBYOF-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375003;MM375003;C=C(C=O)OC=CC=CC;DFWWUUBBYMHQIN-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375004;MM375004;C=CCC1C(C)C1(C)CN;HUVDOMNACJMDSH-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375005;MM375005;C=C(C#N)OC=CC=CC;CXFIHWSBBOODII-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375006;MM375006;CCCC=CC(O)C1CC1;HSWBKJZBGLVKBS-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375007;MM375007;C=CC(=O)OC=CC=CC;JJUJPGPVMOTWAB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375008;MM375008;CC#CCC(C)(C)O;CUGYULCOQVIQRQ-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375009;MM375009;C=C(C#N)OC=CC=NO;WFVYKTFRSVZLNS-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375010;MM375010;C=CCC1C(N)C1(C)CC;YTKMGSXTSDXLAJ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375011;MM375011;O=CC(=O)OC=CC=NO;CBDLYIULYCHGGQ-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375012;MM375012;C=CCC1C(N)C1(C)CF;FHCYNKMROWYASO-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_C4";;;;;;;2.2;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375013;MM375013;C=C(C#N)OC=NN=CC;SHMUUVBRXAAINE-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375014;MM375014;C=CCC1C(O)C1(C)CF;JMWXEOHWBJGNAB-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375015;MM375015;C=CC(=O)OC=NN=CC;UJYDTXQTNXJMLL-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375016;MM375016;CC1(CF)C(O)C1CC#N;VRWHWQIULJLZBE-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375017;MM375017;CC=NN=COC(=O)C=O;KXCVNUVBHZPINC-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375018;MM375018;C=CCC1C(C)C1(N)CC;VHXMLRMWCDITKU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375019;MM375019;CC=NN=COC(=O)C#N;XHWVQTHVGFYBHM-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375020;MM375020;C=CCC1C(C)C1(N)CN;QVKLBWJPDPJMJW-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375021;MM375021;C=CC(=O)ONC=CC=N;OMZZVVDYMCYOEB-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375022;MM375022;C=CCC1C(C)C1(N)CO;ATTZPCMLQSWOQN-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375023;MM375023;C#CC(=C)CC=CC=CC;GGGRPQNMVIJURV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375024;MM375024;C=CCC1C(N)C1(N)CO;OJVPSKUNBQWVQE-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375025;MM375025;C#CC(=O)CC=CC=CC;IIEXXHRVUCPLHD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375026;MM375026;CCC1(O)C(C)C1CC#N;XSFJYMLHPOOSDG-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375027;MM375027;C#CC(=O)CC=CC=CF;NBDIVHIDNTVPKC-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375028;MM375028;C=CCC1C(C)C1(O)CN;DHZXRUXQMUUXOC-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375029;MM375029;C#CC(=C)CC=NN=CC;DNTHBZGGUPEYIB-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375030;MM375030;C=CCC1C(C)C1(O)CO;ZKZDXOAYBJFEDB-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375031;MM375031;C#CC(=O)CC=NN=CC;GGCIEZOKDNNJGX-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375032;MM375032;C=CCC1C(C)C1(F)CC;VQGJIMPQFFOZFX-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375033;MM375033;C#CC(=N)NC=CC=CC;OMRNQLMNCADGSF-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375034;MM375034;C=CCC1C(O)C1(F)CC;VBPLVPWPNFEINI-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375035;MM375035;C#CC(=O)NC=CC=CC;OYBMYGUBOHTTSZ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375036;MM375036;COC1(C)C(C)C1CC#N;OOACGMTYBHGOCU-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375037;MM375037;C#CC(=N)NC=CC=NN;FORHXUUQWIOEIJ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375038;MM375038;CCC1(C)C(C)C1NC=N;RSXAPSGWHNBVCA-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375039;MM375039;C#CC(=N)NC=CC=NO;PYSZCCZMIZGWMM-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375040;MM375040;CC1C(NC=O)C1(C)CN;UYCIHZKZIWUBHI-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375041;MM375041;C#CC(=N)NC=NC=NO;ABELBVFXMAVEOW-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375042;MM375042;CC1C(NC=N)C1(C)CO;XSQTULUFUZAOOC-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375043;MM375043;C#CC(=O)NC=NC=NN;OCTJNCOMFFGKHF-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375044;MM375044;CC1C(NC=O)C1(C)CO;LSGJSJQCPBYORZ-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375045;MM375045;C#CC(=O)NC=NC=NO;YAOUNROUAHXFJJ-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375046;MM375046;CC1(CN)C(N)C1NC=O;DLGXUJDOASHHTD-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375047;MM375047;C=CC#Cc1c[nH]c(N)c1;BYBNGOMJUDAURA-UHFFFAOYSA-N;132.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375048;MM375048;CCC1(N)C(C)C1NC=N;QJXJRLBVFFLHIK-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375049;MM375049;C#CC(=O)NC=NN=CC;COMUKBMFDMSDQD-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375050;MM375050;CC1C(NC=O)C1(N)CN;DAQWLUAHDRSFRM-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375051;MM375051;C=CC(CO)CCC=CC;GBVDFVMSGZJTSI-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375052;MM375052;CC1C(NC=O)C1(N)CO;HZQPZYLSFZSXNG-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375053;MM375053;C#CC(=N)NNC=CC=N;NUCMPYOHWGRRGV-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375054;MM375054;CCC1(N)C(N)C1NC=O;UOCNWLFGUSTXNF-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375055;MM375055;C#CC(=N)NN=CC=NO;ULSBLWXJFFBHLB-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375056;MM375056;N=CNC1C(N)C1(N)CO;NURWPOWULIVPHR-UHFFFAOYSA-N;144.18;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375057;MM375057;C#CC(=O)NNC=CN=N;VMXDEQXBZHWWTP-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375058;MM375058;N=CNC1C(N)C1(N)CF;QNSSGXGFGCMBDR-UHFFFAOYSA-N;146.17;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375059;MM375059;C#CC(=C)OC=CC=NN;DBMPSRARXBSCSN-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375060;MM375060;CC1C(NC=O)C1(O)CO;UNQNBLIIZNHPJR-UHFFFAOYSA-N;145.16;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375061;MM375061;C#CC(=C)OC=CC=NO;WEGFANINLSZJQQ-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375062;MM375062;N=CNC1C(N)C1(O)CO;AJTHHAQVBLFCHP-UHFFFAOYSA-N;145.16;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375063;MM375063;C#CC(=O)OC=CC=NN;HTOBSQZLCVLRPI-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375064;MM375064;CC1C(NC=N)C1(F)CN;SNCOLNUDMYMAHZ-UHFFFAOYSA-N;145.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375065;MM375065;C#CC(=C)OC=NN=CC;NYHBBMYFVBUOKL-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375066;MM375066;CCC1(F)C(N)C1NC=N;NLCRNLVFWXPCAW-UHFFFAOYSA-N;145.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375067;MM375067;C#CC(=O)OC=NN=CC;OYNFUTUTSYSIKA-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375068;MM375068;C=NNC1C(C)C1(C)CC;YEGSGFRBBZAKQM-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375069;MM375069;CC#CC=CCC(C)CN;ZFQMPFDLGGOZFA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375070;MM375070;C=NNC1C(C)C1(N)CC;CXHXHBDTTPPFJM-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375071;MM375071;CC#CC=CCC(N)CC;XKIYKOWBCBRIAG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375072;MM375072;C#CCC(C)(O)C=C;GMBLUXSJUUBWSJ-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375073;MM375073;C=CC(CO)CCC=CF;WYTYLDIPKJPAMT-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375074;MM375074;C=COC1C(C)C1(C)CC;VOSADBDGWCAKGK-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375075;MM375075;CC#CC=CCC(O)CN;WPJWZFJPHAYWJV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375076;MM375076;CCC1(C)C(C)C1OC=O;HXBYJPYMUFNTNO-UHFFFAOYSA-N;142.2;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375077;MM375077;CC#CC=CCC(C)NC;JPBCFJFIGUUKOI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375078;MM375078;C=COC1C(N)C1(C)CC;XBSJHSVKPHBSIV-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375079;MM375079;CC#CC=CCC(C)OC;SKTRUKQICMWPMP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375080;MM375080;CCC1(C)C(N)C1OC=O;SOABPIUVXIEAGB-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375081;MM375081;CC#CC=NNC(C)CC;XWLFDMMXHCJDTR-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375082;MM375082;CC1(CN)C(N)C1OC=O;XSXZTRIGWWMJQZ-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375083;MM375083;CC#CC=COC(C)CO;GGRKBEDTVXNDKX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375084;MM375084;C=COC1C(N)C1(C)CF;LKZCSOHXAHUFAQ-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Na";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375085;MM375085;CC#CC=COC(C)OC;HAAGAWNXFUEZSV-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375086;MM375086;C=COC1C(C)C1(N)CC;RWYKXIBGWHHXLZ-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375087;MM375087;CC#CC=NOC(C)CF;PAMPWXGBYIKTOX-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375088;MM375088;CCC1(N)C(C)C1OC=O;ZODANYGHJPEICU-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375089;MM375089;C=CC(C)CC=CC#CC;UACCSKGGKGNFCU-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375090;MM375090;C=COC1C(C)C1(N)CN;VNHOHWHRKJXGDG-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375091;MM375091;CC#CC=CCC(C)C#N;PUXGRMCSFGGPLC-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375092;MM375092;C=COC1C(N)C1(N)CC;LTLYGRAFNFYCHH-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375093;MM375093;CC#CC=CCC(O)C#N;TURAXMQQIWTXRU-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375094;MM375094;CCC1(F)C(C)C1OC=O;YITGRBVMNDOFPP-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375095;MM375095;CC#CC=CCC(F)C#N;XINTXAOQXOYVBB-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375096;MM375096;C=NOC1C(C)C1(C)CC;WUNBAFGLCYWYKD-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375097;MM375097;C=CC(CO)CCC=NN;OHGFDXSSUDVMMV-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375098;MM375098;CC1CC(C)(CO)C1;DFXWSYFBNZVJTQ-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375099;MM375099;CC=CC=CC(CC)CO;GPUMBFZOVGSOOD-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375100;MM375100;C=NOC1C(C)C1(N)CC;HFPIIRMIUZVDPH-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375101;MM375101;CCC(C=CC=CF)CO;XISWRRULWWWEPX-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375102;MM375102;C=NOC1C(C)C1(N)CN;TZTYYBGHVIJHLT-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375103;MM375103;CC#CC=CCN(N)C=O;DWZCWUYRISMCKB-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375104;MM375104;C=NOC1C(C)C1(O)CN;UBSWFHWOEFNIPH-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375105;MM375105;C#CC(C)CC=CC#CC;DBJCYXFLFAIDTO-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375106;MM375106;C=NOC1C(C)C1(F)CC;LDNJNVRIZRLKKB-UHFFFAOYSA-N;145.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375107;MM375107;C#CC(N)CC=CC#CC;NBRVYNFPEUXWON-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375108;MM375108;C=NOC1C(C)C1(F)CN;PUTMOBOLCVSYFZ-UHFFFAOYSA-N;146.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375109;MM375109;CCC(C=CC=NN)CO;DWSDDBCUUUFRSH-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375110;MM375110;CNC1(C)C(C)C1OC=O;IKFMGYVVBULBFM-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375111;MM375111;C#CC(C)ON=CC#CC;KELXGZFYIOYJQD-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375112;MM375112;CC(O)CC1CC1C;GDRBAYWILPUMTO-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375113;MM375113;C=C(CC)CC=CC#CC;LLTYZHMNKXKYKY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375114;MM375114;C=CCN1C(C)C1(C)CN;LUYGMMKLCCHKGB-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375115;MM375115;C=C(CN)CC=CC#CC;RZOZNMAOQOMAGH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375116;MM375116;C=CC(C=O)NN=C;GASSLGUVXZEJET-UHFFFAOYSA-N;112.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375117;MM375117;C=C(CO)CC=CC#CC;RJQNLOHKSSFHPI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375118;MM375118;CC1N(CC#N)C1(C)CF;MFROJFKXTRGZPX-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375119;MM375119;C=C(CF)CC=CC#CC;VLOFXHOFQADLGQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375120;MM375120;CCC1(C)C(C)N1NC=N;LBPPLUYKOIJAAH-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375121;MM375121;CC#CC=CCC(=O)CC;XMPJSDLUCDVRPD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375122;MM375122;C#CCC1C(C)C1(C)CC;TXLHPFCSOQDPBI-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375123;MM375123;C#CCC1C(C)C1(C)CN;VPPOAOYAMXAYII-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375124;MM375124;CC#CC=CCC(=O)CO;ROBYWEAUOVQGGI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375125;MM375125;N=C1C=NC(NN)=N1;MENPLJLDOFHVDK-UHFFFAOYSA-N;111.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375126;MM375126;CC#CC=CCC(=N)NC;JAFGOVVSDHEUMZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375127;MM375127;C#CCC1C(C)C1(C)CF;FDPGJDCETNZJNP-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375128;MM375128;C=C(CC=CC#CC)OC;ZFJVYKZJTIABMJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375129;MM375129;C#CCC1C(N)C1(C)CC;XTPDFXVKPREXQJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375130;MM375130;CC#CC=CNC(=N)CC;MGHQHOYHAFLVTB-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375131;MM375131;C#CCC1C(O)C1(C)CO;OBHNMBQFJBOLFA-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375132;MM375132;CC#CC=CNC(=N)CN;GRAVPDYMIMARMQ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375133;MM375133;C#CCC1C(C)C1(N)CC;GHBKLGXAZNRLDA-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375134;MM375134;CC#CC=CNC(=N)CO;CUMCSPJNCXGTFL-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375135;MM375135;C#CCC1C(C)C1(N)CO;WBRLVYFQODXNHP-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375136;MM375136;CC#CC=CNC(=O)CF;HDRNZTIKCMZVJV-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375137;MM375137;C#CCC1C(C)C1(N)CF;JXTCGKCKTQODAX-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNda";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375138;MM375138;CC#CC=CNC(=N)NC;BKGZDDNDQHAMCP-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375139;MM375139;C#CCC1C(N)C1(N)CN;XXOBVDRBSFMUHB-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375140;MM375140;CC#CC=CNC(=O)NC;LUODXOIMUMXTNZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375141;MM375141;C#CCC1C(N)C1(N)CO;JJKXNMKKSAONNE-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375142;MM375142;CC#CC=CNC(=O)OC;BYENGXLXWOLCTP-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375143;MM375143;C#CCC1C(C)C1(O)CN;FWFGBEVUIFUIBP-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375144;MM375144;CCC=C1CCC(CO)C1;IRJMVHSTNCEUHL-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375145;MM375145;C#CCC1C(C)C1(F)CC;PUNGZMDCWBXNKW-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375146;MM375146;C=CC=C1CCC(CO)C1;BVVNPPYIDXYZLJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375147;MM375147;C#CCC1C(C)C1(C)NC;RXFMRAPVGVMXQK-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375148;MM375148;CC#CC=NNC(=O)CF;FANQQEZLOPRODX-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375149;MM375149;C#CCN1C(C)C1(C)CC;SRDXHVOVJPODHZ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375150;MM375150;O=CC=C1CCC(CO)C1;WCICZRPBNMYKRL-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375151;MM375151;C#CCN1C(C)C1(C)CF;YEFJUTJCQMWOSO-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375152;MM375152;CC#CC=NNC(=O)OC;ZYLOTBJBUBHFCI-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375153;MM375153;C=CC1(C)C(C)C1CCC;RZSVNEVEODYAFT-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375154;MM375154;C=C(CC)OC=CC#CC;XVAARKXHBSISFV-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375155;MM375155;CCC1CC(O)C1C;BAESNNPMVOWQBC-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375156;MM375156;C=C(CN)OC=CC#CC;STYGCIGPYDHVQC-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375157;MM375157;C=CC1(C)C(C)C1CCF;HMFCVDHNASPZAF-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375158;MM375158;C=C(CO)OC=CC#CC;PCCYEPQOARZTOQ-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375159;MM375159;CCCC1C(C)C1(C)C#N;DFUYRZKNKBWNOC-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375160;MM375160;N#CC=C1CCC(CO)C1;SIJJTDKGTOMPJS-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375161;MM375161;CC1C(CCF)C1(C)C#N;VQLGPFGUBPQSNX-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375162;MM375162;CC#CC=NOC(=O)NC;WKYDTYGVIVVABN-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375163;MM375163;CC1(C=O)C(O)C1CCF;AKIOHVBRDFFZMJ-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375164;MM375164;CC#CC=NOC(=O)OC;XUQLWBMMVFWQMW-UHFFFAOYSA-N;141.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375165;MM375165;C=CC1(N)C(C)C1CCN;ONVPITIFABEELZ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375166;MM375166;C=C(C#N)CC=CC#CC;HSSAYWGIIDPLAW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375167;MM375167;C=CC1(N)C(C)C1CCF;QPYDCLZIPWNWOO-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375168;MM375168;C=CC(=O)CC=CC#CC;ZJQZFEDBPSDNBK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375169;MM375169;C=CC1(N)C(N)C1CCO;GRGWCCODWRZULK-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375170;MM375170;C=CC(=N)NC=CC#CC;VIMLGKAKRIXTBF-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375171;MM375171;C=CC1(N)C(N)C1CCF;UFVZTVRCQSDBFS-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375172;MM375172;CC#CC=CNC(=O)C=O;ZIXDLJKQZNIWNX-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375173;MM375173;C=CC1(N)C(O)C1CCN;AWHIVUVVLKSACO-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375174;MM375174;C#CC=C1CCC(CO)C1;DYLPMZDCDUNOLW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375175;MM375175;C#CC1CC(C)C1O;RPZFPGFVMQZXLH-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375176;MM375176;CNN=CCC#CCC=O;QXSNFAZJXPXGHZ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375177;MM375177;C=CC1(O)C(C)C1CCN;MUUHUYRFMUEGMJ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375178;MM375178;CC#CC=NNC(=O)C=O;NSZUJRCKLRLDMA-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375179;MM375179;C=CC1(O)C(C)C1CCO;SDCLBIHZRDVFTG-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375180;MM375180;CC#CC=NNC(=O)C#N;VTPJCDDJRPSIOD-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375181;MM375181;C=CC1(O)C(C)C1CCF;VSWGJSOHMDVRBX-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375182;MM375182;C=CC(=C)OC=CC#CC;CQFSRJBCKFUTOW-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375183;MM375183;CC#CC=COC(=O)C=O;KVWALOFBEQFPIJ-UHFFFAOYSA-N;138.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375184;MM375184;CCCC1C(C)C1(O)C#N;FVVMVUCITGNDCY-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375185;MM375185;CC#CC=COC(=O)C#N;NRZHCPULNICHEC-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375186;MM375186;CC1C(CCO)C1(O)C=O;ZLGASDCOKJMQJV-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375187;MM375187;C=CC(=O)ON=CC#CC;WSKJLQNEPXQRGA-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375188;MM375188;CC1C(CCO)C1(O)C#N;QOOAUONRXIIQAQ-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375189;MM375189;CC#CC=NOC(=O)C#N;BFCPLLIVBVWWGJ-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375190;MM375190;CC1C(CCF)C1(O)C=O;XPSYBJFSICZJCU-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375191;MM375191;C#CC(=C)CC=CC#CC;MDBIWQGMOJRLQD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375192;MM375192;CC1C(CCF)C1(O)C#N;LLJFATDWUDMWCC-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375193;MM375193;C#CC(=N)NC=CC#CC;JFPVAVKKYVBXSZ-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375194;MM375194;C=CC1(O)C(N)C1CCC;ZSLNFKKCBXGYIE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375195;MM375195;C#CC(=O)NC=CC#CC;HCDQSELTEHSTMX-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375196;MM375196;C=CC1(O)C(N)C1CCO;WGOWJSKCPCBNQD-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375197;MM375197;CON=CCC#CCC=O;SEZZFJAPLUHRSB-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375198;MM375198;C=CC1(O)C(N)C1CCF;FBAXJPUBHHDBBJ-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375199;MM375199;C#CC(=O)NN=CC#CC;JZQVMTNGQCSHDV-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375200;MM375200;C=CC1(F)C(C)C1CCC;VBQYFCJDNBGHDZ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375201;MM375201;C#CC(=O)OC=CC#CC;NMHGYAGOUAIVKM-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375202;MM375202;C=CC1(F)C(C)C1CCN;SCUAVFPEHHOUDA-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375203;MM375203;C#CC(=O)ON=CC#CC;AOFNZTONBAQKSH-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375204;MM375204;C=CC1(F)C(C)C1CCO;QOEUVPPGPJMPNL-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375205;MM375205;CC=C(C)CC=CCCN;GMMXXLDXCVHPLC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375206;MM375206;C=CC1(F)C(C)C1CCF;UUZQYYXCHXQGIW-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375207;MM375207;CC=C(C)CC=CCCO;KLQJCBSNYHAIMY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375208;MM375208;CCCC1C(C)C1(F)C#N;WWLTVVQOODXGPU-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375209;MM375209;CCCC=CCC(C)=CF;AFLZNXWZQFXOQH-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375210;MM375210;CC1C(CCO)C1(F)C=O;HCVMHWQWZOBSKW-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375211;MM375211;CC(=CF)CC=CCCN;ZCPKSNDRWXJHTN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375212;MM375212;CC1C(CCF)C1(F)C=O;PPHWLDRFLFQFMF-UHFFFAOYSA-N;148.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375213;MM375213;CC(=CF)CC=CCCO;NJOUICLRBIRVLF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375214;MM375214;CC1C(CCF)C1(F)C#N;HCKFQHYYTGBEIJ-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375215;MM375215;CC(=CF)CC=CCCF;NLFWRUUVOVFGTN-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375216;MM375216;C=CC1(F)C(N)C1CCC;ZYZBADKASWJMAX-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNda";;;;;;;2.57;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375217;MM375217;CC=C(F)CC=CCCN;YDUJCBBGOVSSDW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375218;MM375218;C=CC1(F)C(N)C1CCN;KLNODRPTPOHKOJ-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375219;MM375219;CCCC=CCC(F)=CF;CGWQWGYFLOZXNF-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375220;MM375220;C=CC1(C)C(C)C1CNC;FIHOJHLJMSOSSZ-UHFFFAOYSA-N;139.24;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375221;MM375221;CC=C(C)CC=CCNC;VROMCDDXCLBSGU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375222;MM375222;CNCC1C(C)C1(C)C=O;XXIPOIIOSCSMKC-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375223;MM375223;CNCC=CCC(C)=CF;OHHNBXWSVVMIHN-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375224;MM375224;C=CC1(N)C(C)C1CNC;NFLSLTMALHRZPZ-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375225;MM375225;CC=C(F)CC=CCNC;MWWRCTDWEQKWAF-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375226;MM375226;C=CC1(N)C(O)C1CNC;DWYDSWVBNCBQRJ-UHFFFAOYSA-N;142.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375227;MM375227;CC=C(C)CC=COCC;KBURZMIGIRIJIS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375228;MM375228;C=CC1(O)C(C)C1CNC;PNQWQHFMFBFZEN-UHFFFAOYSA-N;141.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375229;MM375229;CC=C(F)CC=COCC;WUDMHMGFENMDFH-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375230;MM375230;CNCC1C(C)C1(O)C=O;MHWRPFJSAYHVNH-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375231;MM375231;CCOC=CCC(F)=CF;QBNIYFSALGTYPG-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375232;MM375232;C=CC1(F)C(C)C1CNC;HRCBDQATPSRBQA-UHFFFAOYSA-N;143.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375233;MM375233;CCCC=CCC(C)=NN;NOQYLICPNCOOID-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375234;MM375234;C=CC1(O)C(N)C1COC;BMRKEWYGIYCOIW-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375235;MM375235;C=NN=CCC#CCC=O;OASBFQBULAALML-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375236;MM375236;C=CC1(O)C(O)C1COC;MLDGLGSQBNQUJL-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375237;MM375237;CC(CC=CCCF)=NN;WPFNECJPFNNXNB-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375238;MM375238;C=CC1(F)C(C)C1COC;HYHFPHAAXGPCBR-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375239;MM375239;CC(CC=CCCN)=NO;KPSVVDNPHXPKPW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375240;MM375240;C=CC1(C)C(C)C1NCC;ADDWKHRKNRCMMZ-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375241;MM375241;CC(CC=CCCO)=NO;DLBWXXVGIKOIBU-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375242;MM375242;CCNC1C(C)C1(C)C=O;LTVVTOHMVAVRRK-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375243;MM375243;CNCC=CCC(C)=NO;XBOCUSLIJJLSSJ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375244;MM375244;C=CC1(C)C(N)C1NCC;FURNRAYYHOVQJL-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375245;MM375245;CCNN=CCC(F)=CF;JOAOHEAFCVACRH-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375246;MM375246;C=CC1(N)C(C)C1NCC;ZZEDPHUWVZTVKW-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375247;MM375247;CC=C(F)CC=NOCC;RXYKDGGAFFUHCC-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375248;MM375248;C=CC1(O)C(C)C1NCC;OJLHTJVOHKCJHP-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375249;MM375249;CCON=CCC(F)=CF;CKCKTVDRFFQIPA-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375250;MM375250;C=CC1(O)C(N)C1NCC;RAALJXDKFOZGCU-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375251;MM375251;CCON=CCC(C)=NN;JWQZSGNZEZDSHL-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375252;MM375252;C=CC1(F)C(C)C1NCC;DIULSRONCYXZJA-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375253;MM375253;CCON=CCC(C)=NO;LOHJLYAOSNEFBT-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375254;MM375254;C=CC1(O)C(C)C1OCC;QZLLHWYWIFXHHI-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375255;MM375255;CCCC=CN=C(C)NC;ZBIOCQDHPOESJF-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375256;MM375256;C=CC1(F)C(C)C1OCC;GIIHAGAJVRCIPF-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375257;MM375257;CN=C(C)NC=CCCO;XMMXXCMAPYXMBT-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375258;MM375258;C=CC1(C)C(CCN)N1C;BPQWZNXZXQDREO-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375259;MM375259;CCCC=CN=C(C)NN;CPORTPJEKHBARN-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375260;MM375260;CCCC1N(C)C1(C)C=O;NCQJEVKQQBECNW-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375261;MM375261;CC(=NN)NC=CCCF;VOZHWJQUPJFNPV-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375262;MM375262;CCCC1N(C)C1(C)C#N;CYRLGEFXKWUWEJ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375263;MM375263;C=CC1C(O)C1C=C;AYNDWFBLCLKALB-UHFFFAOYSA-N;110.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375264;MM375264;CCCC=CN=C(C)NO;WZKBVZNYVBWRAV-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375265;MM375265;CC(=NC=CCCO)NO;JJEINLUNSBGZSJ-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375266;MM375266;CN1C(CCF)C1(C)C=O;YKHNZPOKAVYPKQ-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375267;MM375267;CNC(C)=NC=CCOC;FYRNPBFDURKDCS-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375268;MM375268;CN1C(CCF)C1(C)C#N;RBURWWAIGPWQKY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375269;MM375269;COCC=CN=C(C)NN;HDOURBDSGCQJQJ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375270;MM375270;CNCC1N(C)C1(C)C#N;FOPBELFGDWSODE-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375271;MM375271;CCOC=CN=C(C)NC;COTTZDYMPQXCIS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375272;MM375272;COCC1N(C)C1(C)C=O;PQLDLVFCQXBSPJ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375273;MM375273;CCOC=CN=C(C)NN;UFERKOVPTIHBMH-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375274;MM375274;C=CC1(C)C(C)N1CCN;GDPLSAXBPGHOFY-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375275;MM375275;CC=C(C)N=CNCCN;NSSNOFXUEGBHLU-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375276;MM375276;CCCN1C(C)C1(C)C=O;VAWFEOXPPPPKTI-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375277;MM375277;C=CCC1C(C)C1(C)C=C;IWFQUWLTFZLREP-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375278;MM375278;CCCN=CNC(C)=CF;WNSGZIIHGWVQAR-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375279;MM375279;C=CC1(C)C(C)C1CC=O;QBPXVLOLWSCWAN-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375280;MM375280;CCON=CNC(C)=CF;MXKZXYBLUVDPML-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375281;MM375281;CC1C(CC#N)C1(C)C=O;WCNMDWTXFYEJBP-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375282;MM375282;OCC1C=CC2(CO)CC12;BEVABECBXVKEKX-UHFFFAOYSA-N;140.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375283;MM375283;CC1C(CC#N)C1(C)C#N;JPSUBXPHRLUDER-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375284;MM375284;C=C1C=C(C)CC1O;NHRIUFCDCGXKLC-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375285;MM375285;CC1(C=O)C(O)C1CC=O;FXUURFRFWFGMKP-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375286;MM375286;CC(=NO)NN=CCCN;PFWZGMCXCNCPEC-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375287;MM375287;C=CCC1C(C)C1(N)C=C;UQINCYRWENSLPU-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375288;MM375288;CCC(C)C(C)CO;MIBBFRQOCRYDDB-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375289;MM375289;CCC1CC(C)(CO)C1;MIXRRINHDIJNQV-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375290;MM375290;CCCC(CC)CO;UKFQWAVMIMCNEH-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375291;MM375291;C=CC1(O)C(C)C1CC#N;BDNJSKHGNVBIIM-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375292;MM375292;N#CC1CC(=O)CN1;LTJQPGQTUVVUCJ-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375293;MM375293;C=CCC1C(C)C1(O)C=O;BSIRXQNVAJRXNU-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375294;MM375294;CCCC=COC(C)=CF;SBVDKPCJJWIEOA-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375295;MM375295;C=CCC1C(C)C1(O)C#N;MBZULYPYPPUUHL-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375296;MM375296;CC=C(C)OC=CCNC;QQVBOABBDQTNGV-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375297;MM375297;CC1C(CC#N)C1(O)C#N;SKXSZONJGLLSIR-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375298;MM375298;CNCC=COC(C)=CF;VOESUARYLQMZGV-UHFFFAOYSA-N;145.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375299;MM375299;C=CCC1C(N)C1(O)C=C;QDQBCCJAINURPX-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375300;MM375300;COCC=COC(C)=CF;VLSPDHFRKVORLP-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375301;MM375301;C=CCC1C(C)C1(F)C=C;JHXSJAYSNFKTJU-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375302;MM375302;CCOC=COC(C)=CF;KPGHPONCSZBUOJ-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375303;MM375303;C=CC1(F)C(C)C1CC#N;UVOALHRAARLKFN-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375304;MM375304;C=C1C(C)=CCC1O;UDOROSCKEHESSD-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375305;MM375305;C=CCC1C(C)C1(F)C=O;BFROFGJOEKUYIE-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375306;MM375306;CCCC=COC(C)=NO;XNFFDKLGMMPPGT-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375307;MM375307;C=CCC1C(C)C1(F)C#N;FNRZXTIARXLFDH-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375308;MM375308;CC(=NO)OC=CCCF;XCDHMCQQDPENEK-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375309;MM375309;CC1C(CC#N)C1(F)C=O;VWPCGEQOBPJCGS-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375310;MM375310;CCCC(C)C(C)CO;HIYTVAULOHUDEC-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375311;MM375311;CC1C(CC=O)C1(F)C#N;BOZCYJZXABYJCF-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375312;MM375312;COCC=COC(C)=NO;SYMFBFVEUZFQPM-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375313;MM375313;C=CCC1C(N)C1(F)C=C;AWVIGDYVDSYMMR-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNda";;;;;;;2.2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375314;MM375314;N#CC(=NC=N)NC=N;KYPMMPUIJWRFOH-UHFFFAOYSA-N;123.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375315;MM375315;CC1C(NC=O)C1(C)C#N;TYFJHOMGRDNNTQ-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375316;MM375316;CCOC=COC(C)=NO;HOFZINQYPMUWNB-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375317;MM375317;C=CC1(N)C(C)C1NC=N;CUYBMXVXNPICAX-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375318;MM375318;C=C1CC(C)C(=C)C1O;WROLZGJXHRSENN-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375319;MM375319;C=CC1(N)C(C)C1NC=O;VNFZYVFPEFYNJJ-UHFFFAOYSA-N;140.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375320;MM375320;Cc1nc(N)c(F)n1C;IRAIKZDAEKQOBT-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375321;MM375321;C=CC1(N)C(N)C1NC=N;JZYQDRVTUTWLKF-UHFFFAOYSA-N;140.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375322;MM375322;CC1=NNC(=CC=O)O1;GGMJEWXKHWEJJI-UHFFFAOYSA-N;126.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375323;MM375323;C=CC1(O)C(C)C1NC=N;XEKRTGNCKUHKRJ-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375324;MM375324;CC=C(C)CC=CCC#N;PHTQEBHMGJVUJU-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375325;MM375325;C=CC1(O)C(C)C1NC=O;AIPLFIQYNRQLRR-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375326;MM375326;CC(=CF)CC=CCC=O;JGIFCNUTABBQDS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375327;MM375327;CC1C(N=CN)C1(O)C=O;SGIXOJCTGUUBMO-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375328;MM375328;CC(=CF)CC=CCC#N;KZWFYKRDVKCZAR-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375329;MM375329;CC1C(NC=O)C1(O)C=O;WUWQXGITLNQHJV-UHFFFAOYSA-N;143.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375330;MM375330;O=CCC=CCC(F)=CF;ZIGUQDFMYBCGOX-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375331;MM375331;C=CC1(F)C(C)C1NC=N;NFYBEVFLSLJVNR-UHFFFAOYSA-N;142.18;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375332;MM375332;CC=C(C)CC=CNC=N;KDPMARWIPYHJKK-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375333;MM375333;C=CC1(F)C(C)C1NC=O;MIKRWMNBDKLKLZ-UHFFFAOYSA-N;143.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375334;MM375334;CC=C(C)CC=CNC=O;PWMHGOFGRBLDFI-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375335;MM375335;CC1C(N=CN)C1(F)C=O;QFOPETGAGHQHOU-UHFFFAOYSA-N;144.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375336;MM375336;CC(=CF)CC=CNC=N;YXDMXGHRRSAGPI-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375337;MM375337;CC1C(NC=O)C1(F)C=O;HCCALHPRPIFOCM-UHFFFAOYSA-N;145.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375338;MM375338;CC(=CF)CC=CNC=O;LQKFHHRAZRGKLL-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375339;MM375339;CC1C(NC=O)C1(F)C#N;BLKSUPXTOVIEGM-UHFFFAOYSA-N;142.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375340;MM375340;CC=C(F)CC=CNC=N;LTQKUUUICCLEQX-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375341;MM375341;C#CCC(O)C(C)C#C;YTZNMCDGQBVEMW-UHFFFAOYSA-N;122.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375342;MM375342;CC=C(F)CC=CNC=O;RZXCTXLXJLZMCP-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375343;MM375343;C#CC=C(C)C(O)CC;LFSRZOZRXVDUGA-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375344;MM375344;O=CNC=CCC(F)=CF;LFTBGRSEOTVZFD-UHFFFAOYSA-N;147.12;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375345;MM375345;C=CC1(F)C(C)C1NN=C;HKHVWPDHQDPQSX-UHFFFAOYSA-N;142.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375346;MM375346;C=COC=CCC(C)=CC;PHMJLUMBANAJSQ-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375347;MM375347;CC#CCCC1(O)CC1;GVDUWCUZFQJLFC-UHFFFAOYSA-N;124.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375348;MM375348;CC=C(C)CC=COC=O;PPFPEDVDYOQEDC-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375349;MM375349;C=CC1(N)C(C)C1OC=O;PHSQMEWGSPRHPF-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375350;MM375350;C=COC=CCC(C)=CF;PRUZNDNONMAUKB-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375351;MM375351;C=COC1C(N)C1(N)C=C;GYBCATPACYINKV-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375352;MM375352;C=COC=CCC(F)=CC;XSMIGRSJRUGOMM-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375353;MM375353;C=COC1C(C)C1(O)C=C;UPIYAMJEVGBPGU-UHFFFAOYSA-N;140.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375354;MM375354;C=CCC=CCC(C)=NN;KNEHHSXCRJKHLY-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375355;MM375355;C=CC1(O)C(C)C1OC=O;MRHUTJOVPULTGQ-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375356;MM375356;C=NNC1=CC(=O)C=N1;LGTBELNHQINYMK-UHFFFAOYSA-N;123.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375357;MM375357;C=COC1C(C)C1(O)C=O;WIRNSAGCMCSHPG-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375358;MM375358;CC(CC=CNC=O)=NO;DPNQMZAHCTWLRH-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375359;MM375359;CC1C(OC=O)C1(O)C=O;VNAIYNFAPOUMRQ-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375360;MM375360;C=COC=CCC(C)=NN;LZYCVIDEHUVDCN-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375361;MM375361;C=COC1C(N)C1(O)C=C;OGBGJWWHXMWOTG-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375362;MM375362;CC(CC=COC=O)=NN;BMWGQOQKKGQCJA-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375363;MM375363;C=COC1C(C)C1(F)C=C;FCRMWEOUOKPHOZ-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375364;MM375364;C=COC=CCC(C)=NO;ORZLAIBSWJISGP-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375365;MM375365;C=COC1C(C)C1(F)C=O;JAGKCCSWXDEJOM-UHFFFAOYSA-N;144.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375366;MM375366;CC(CC=COC=O)=NO;VLFCLLINDXZAQS-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375367;MM375367;C=CC1(C)C(C)C1ON=C;PTIAGEJUHBVJKX-UHFFFAOYSA-N;139.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375368;MM375368;CC(=CF)CC=NNC=O;DJWWGFBEOBIYHK-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375369;MM375369;C=NOC1C(C)C1(C)C#N;IARKUVVMELLTRM-UHFFFAOYSA-N;138.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375370;MM375370;CC=C(F)CC=NNC=O;UNWGDBKYOWQGFP-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375371;MM375371;C=CCC1CC1(C)CO;WWUWWILGGUXGQI-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375372;MM375372;O=CNN=CCC(F)=CF;ZKBMHBDOGZHKAK-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375373;MM375373;C=NOC1C(C)C1(F)C#N;DVJYFDDFGSWWPS-UHFFFAOYSA-N;142.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375374;MM375374;O=CON=CCC(F)=CF;SEZAMUMOHNAPRN-UHFFFAOYSA-N;149.1;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375375;MM375375;C=CCC1N(C)C1(C)C#N;XVBZXIYISZCBNE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375376;MM375376;C=CNC=NCC(C)=CC;ZEEWQCMDEJBLIT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375377;MM375377;CNN=C(CF)NOC;PTBQKOHIENZJOG-UHFFFAOYSA-N;135.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375378;MM375378;C=CNC=NCC(F)=CF;BCESUNZAFRIIQM-UHFFFAOYSA-N;146.14;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375379;MM375379;C=C(C)C1=CCC(O)C1;WCIWMNGAANJULD-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375380;MM375380;C=CCC=CNC(C)=NC;YGGFVDYDXHWGOL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375381;MM375381;CCCC1CC(O)C1C;IJPFXCJCKIIEAI-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375382;MM375382;CN=C(C)NC=CCC=O;SYKRZOTXUNAKOU-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375383;MM375383;C=CC1(C)C(C)N1CC#N;QFSYQPRSJUPBCW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375384;MM375384;CN=C(C)NC=CCC#N;TWOHWGGDNQCXAU-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375385;MM375385;CC1N(CC#N)C1(C)C=O;MHQCRAVZBORWDT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375386;MM375386;CN=C(C)NC=CNC=O;MYSPTNZIFAZCFC-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375387;MM375387;CC1N(CC#N)C1(C)C#N;XCYXSTUPSBTUJC-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375388;MM375388;CC(=NO)NC=CNC=N;KVKRKRAHVKPLDB-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375389;MM375389;C=CC1(C)C(C)N1NC=N;NTCPYZJPMILOLY-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375390;MM375390;C=C1CCC(=CC)C1O;XFAYAAJZZVQVEI-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375391;MM375391;C=CC1(C)C(C)N1NC=O;GJFRSPQIIURSPN-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375392;MM375392;C=COC=CNC(C)=NC;SMLUDZYWEAEFOZ-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375393;MM375393;CC1N(NC=N)C1(C)C#N;JJVGDLFKSKLGGF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375394;MM375394;CN=C(C)NC=COC=O;GCJSAPVIPWGMKD-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375395;MM375395;C#CCC1C(C)C1(C)C#N;QSBNJBNPPLKMGY-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375396;MM375396;CCCCC(CC)CO;YIWUKEYIRIRTPP-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375397;MM375397;C#CCC1C(C)C1(N)C=C;DDFHBBQPCPLSQF-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375398;MM375398;CCC(CO)CCCF;WAGKKSRZPCCCSZ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375399;MM375399;C#CCC1C(N)C1(N)C=C;HATLHQLZGYEFMI-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375400;MM375400;CC=C(C)N=CNCC=O;ICFKHTNVNQYITR-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375401;MM375401;C#CCC1C(O)C1(N)C=C;OFOQZVZWYZNCSL-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375402;MM375402;CC(=CF)N=CNOC=O;VWZHVSWQSZYKMO-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375403;MM375403;C#CCC1C(C)C1(O)C=O;CVWCAWOSLDCHAS-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375404;MM375404;CC(N=CNNC=N)=NO;KJMYEDWXKLTFRW-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375405;MM375405;C#CCC1C(C)C1(O)C#N;KOAQLTBZLMKMTO-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375406;MM375406;CCn1ncc(NC)n1;FNOPRWBCLZSATN-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375407;MM375407;C#CCC1C(N)C1(O)C=C;FBHQHTJRUNPELN-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375408;MM375408;CCOCC(=O)C1CN1;IUPTZBHHQNSHFF-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375409;MM375409;C#CCC1C(C)C1(F)C=C;CGAOOUXLDRESMD-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375410;MM375410;C=C(C)C#CCC(C)(C)O;CNPOCZBAHVMGAK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375411;MM375411;C#CCC1N(C)C1(C)C#N;LRWGSJQWHWEFEZ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375412;MM375412;C=CCC=COC(C)=CC;SFAFMYIDPGWRHT-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375413;MM375413;C#CCN1C(C)C1(C)C=C;VRWUJOLXDLMENB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375414;MM375414;CC=C(C)OC=CCC#N;LEWROENTGMXXHT-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375415;MM375415;C#CCN1C(C)C1(C)C=O;BFUYZPJDUTXHDF-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375416;MM375416;CC=C(C)OC=CNC=O;HMXUIQFMFZAQRB-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375417;MM375417;C#CC1(C)C(C)C1CCC;ONMCUJRILUSTDC-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375418;MM375418;CC(=CF)OC=CNC=N;RHSFLSGECYGBSZ-UHFFFAOYSA-N;144.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375419;MM375419;C=CCCC1(CO)CC1;FSWGEXDGPZDIGN-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375420;MM375420;CC(=CF)OC=CNC=O;NHHCNBHYFPBJRQ-UHFFFAOYSA-N;145.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375421;MM375421;C#CC1(C)C(C)C1CCF;LMWWWVXMBJAHFI-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375422;MM375422;C=COC=COC(C)=CF;DPJMUGFXSHKZQM-UHFFFAOYSA-N;144.15;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375423;MM375423;C#CC1(N)C(C)C1CCC;DHPRKHRPNICYNH-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375424;MM375424;CC(=NN)OC=CNC=N;PDMGZMVAGSNDCC-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375425;MM375425;C#CC1(N)C(C)C1CCN;FKISSHYNQFDAKB-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375426;MM375426;C#CC(C)C=CC(C)(C)O;FDWIQEDFIBTBKG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375427;MM375427;C#CC1(N)C(C)C1CCO;QRHHFEQDGBJOSY-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375428;MM375428;C=COC=COC(C)=NO;ANXRAGSBVMVHCU-UHFFFAOYSA-N;143.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375429;MM375429;C#CC1(N)C(C)C1CCF;SICYPCRCWCPYMG-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375430;MM375430;C=CC(O)(C=C)C=C(C)C;FGFCSZGLFDNCTG-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375431;MM375431;CC=C(C)OC=NNC=O;SGVKHULASSCSIA-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375432;MM375432;C#CC1(N)C(N)C1CCN;LWKUVGUMMJOQOB-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375433;MM375433;CC=C(C)OC=NOC=O;AYNMCJDQMCRDRQ-UHFFFAOYSA-N;143.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375434;MM375434;C#CC1(N)C(N)C1CCO;DMTCLLBSXBVHHQ-UHFFFAOYSA-N;140.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375435;MM375435;CC(=CF)OC=NOC=O;PFIGLESSNQPJGG-UHFFFAOYSA-N;147.11;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375436;MM375436;C#CC1(N)C(N)C1CCF;MLXKOSJYPWZLRC-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375437;MM375437;CC(=NO)OC=NNC=O;PBIHLKYUXHDDLP-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375438;MM375438;C#CC1(N)C(O)C1CCF;WYVNJFWHVWCLMC-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375439;MM375439;C#CC=CC(C)(O)CC#C;QRYZZSOMBFZADY-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375440;MM375440;C#CC1(O)C(C)C1CCC;BXLLKVSSVDKJTH-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375441;MM375441;C#CCC=CCC(F)=CF;FGGAQRSAYRLCGL-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375442;MM375442;C#CC1(O)C(C)C1CCO;DECMXFMLMQXZTE-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375443;MM375443;C#CC1(O)C(C)C1CCF;WNKHSVBQTUKPCP-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375444;MM375444;C#CCC=CCC(C)=NN;ZOIFZNGMNJLEKJ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375445;MM375445;C#CCC=CCC(C)=NO;ZUYAXLGAABWYSB-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375446;MM375446;C#CC1(O)C(N)C1CCC;LGDRCDYLUJMNPH-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375447;MM375447;C#CCC=CNC(C)=NC;VTDHGXDYOKCTKC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375448;MM375448;C#CC1(O)C(N)C1CCO;KDGCZLFDAVZBPY-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375449;MM375449;C#CCNC=NC(C)=CC;IZAFXXJMCVXDBP-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375450;MM375450;C#CC1(O)C(N)C1CCF;NVONDTVCKZQCDU-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375451;MM375451;C#CCC=NNC(C)=NO;PLSIIIDSXJHSEF-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375452;MM375452;C#CC1(F)C(C)C1CCC;UVUGQYIKOJHWDZ-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375453;MM375453;C#CCC=COC(C)=CC;LMALKUHIRCHSEB-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375454;MM375454;C#CC1(F)C(C)C1CCO;CYJSGSVZKAPCOA-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375455;MM375455;C=CC(O)CC(C)C(C)C;PRCPNUWRBKJDMV-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375456;MM375456;C#CC1(F)C(C)C1CCF;XTYPGEJKVAUGAG-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375457;MM375457;C#CCC=NOC(C)=NO;RRABJVXEMSWUGU-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375458;MM375458;C#CC1(F)C(N)C1CCN;ONSQFJUTYOTERA-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375459;MM375459;CC=CC=CCC(C)=CC;GPWZLEHKFASOJY-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375460;MM375460;C#CC1(N)C(C)C1CNC;LRJSGPBQUOSQTE-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375461;MM375461;CC=CC=CCC(C)=CF;BYWCJXBGLAMPPL-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375462;MM375462;C#CC1(N)C(N)C1CNC;JQENJJGECZEJMF-UHFFFAOYSA-N;139.2;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375463;MM375463;CC=CC=CCC(F)=CC;QZTCTYVPNHKVGU-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375464;MM375464;C#CC1(O)C(N)C1CNC;GZCNAOZZCKINOF-UHFFFAOYSA-N;140.19;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375465;MM375465;CC=CC=CCC(F)=CF;JQFGMIIJUFNTRC-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375466;MM375466;C#CC1(C)C(C)C1COC;IVKRQQJIZYQNPT-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375467;MM375467;FC=CC=CCC(F)=CF;KJDCDCLGYDNDLS-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375468;MM375468;C#CC1(O)C(C)C1COC;JNJCWUPYKHPZQR-UHFFFAOYSA-N;140.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375469;MM375469;CC=C(C)CC=CC=NN;VMQPAZVWKSRSIJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375470;MM375470;C#CC1(N)C(C)C1NCC;RHPMQVYKJUSYAA-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375471;MM375471;CC=C(F)CC(=O)N(C)N;XYBUOAFYWJKWND-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375472;MM375472;C#CC1(N)C(N)C1NCC;DRSUDZUIFVWPPI-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375473;MM375473;CC(=CF)CC=CC=NN;BTGQROUANOZYJA-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375474;MM375474;C#CC1(O)C(C)C1NCC;QAQOLBXCNCGTDU-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375475;MM375475;CC(=CF)CC=CC=NO;PJTVDFMHPNSEPT-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375476;MM375476;C#CC1(C)C(CCN)N1C;DLMYWRQFQVFQAW-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375477;MM375477;CC=CC=CCC(C)=NN;FTKWWHNZSDOVTN-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375478;MM375478;C#CC1(C)C(CCF)N1C;LTSJGDKRAQIGFO-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375479;MM375479;CC(CC=CC=CF)=NN;MNWAWEPPXTYOQP-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375480;MM375480;C#CC1(C)C(CNC)N1C;LGLFFJFHGHAJBE-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375481;MM375481;CC(CC=CC=CF)=NO;XQWBJFKQATUDMB-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375482;MM375482;C#CC1(C)C(C)N1CCC;ZAAMTSPEZALMLJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375483;MM375483;CC(CC=CC=NN)=NN;DOMODFHYVPFWOY-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375484;MM375484;C#CC1(C)C(C)C1CC=C;BZDLIZFGDBBCHA-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375485;MM375485;CCC(O)C=C(C)C(C)C;DRCKBZRNBOXEGN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375486;MM375486;C#CC1(C)C(C)C1CC#N;DPHNIVOEEVLUJH-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375487;MM375487;CC=NN=CCC(C)=CC;XUYOLLKLXFAAKV-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375488;MM375488;C#CC1(C)C(N)C1CC=C;IFMXDZQCIKOKJK-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375489;MM375489;CC=NN=CCC(C)=NO;INFTZUIECRSESJ-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375490;MM375490;CN=C1C=NC(NN)=N1;KTPPQHLFUTYIFR-UHFFFAOYSA-N;125.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375491;MM375491;CN=C(C)NC=CC=CF;BWEHZRYLIYOBAP-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375492;MM375492;C#CC1(C)C(O)C1CC=O;KNABCLCGAWMUPX-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375493;MM375493;CC=CC=CN=C(C)NN;XFBATMOHFXQZRP-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375494;MM375494;C#CC1(N)C(C)C1CC=C;PTZNLVLZLAKUAF-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375495;MM375495;CC=CC=CN=C(C)NO;LDEPWFACCDRDIV-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375496;MM375496;C#CC1(N)C(O)C1CC=C;NJRJVRPTFUTSLG-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375497;MM375497;C#CC1(O)C(C)C1CC=C;JYZLUZCHOIVZRR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375498;MM375498;CC(=NN)NC=CC=NO;XGPKMNRSTNOWNY-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375499;MM375499;C#CC1(O)C(C)C1CC#N;QALRFJDOOATMQT-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375500;MM375500;CC(N=CC=CNO)=NO;PPXCEBJVUVUAIZ-UHFFFAOYSA-N;143.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375501;MM375501;C#CC1(O)C(O)C1CC#N;XOKYRSMGFMUFGD-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375502;MM375502;CC1(O)C=C(CC#N)CC1;JTBONJOBDIAPNF-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375503;MM375503;C#CC1(F)C(C)C1CC=C;HENFLSRYAOGBRI-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375504;MM375504;CN=CN=CNC(C)=NC;HNOFHPLLRZGNMQ-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375505;MM375505;C#CC1(F)C(C)C1CC#N;UECZYRDPEGLNGM-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375506;MM375506;CC(N=CN=CNO)=NO;LPHXBGIGXICOJB-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375507;MM375507;C#CC1(N)C(C)C1NC=N;ZDVNBAPXJWREQT-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375508;MM375508;CCCC(O)C=CC(C)C;PHVZLCZMJBPTML-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375509;MM375509;C#CC1(N)C(N)C1NC=N;QLGRHEWEORNRNX-UHFFFAOYSA-N;138.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375510;MM375510;C=C(C(C)O)C(C)C(C)C;ZMKGQDFZBRELRO-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375511;MM375511;C#CC1(O)C(N)C1NC=N;KZLGOXMDBHNJMO-UHFFFAOYSA-N;139.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375512;MM375512;CC(=C(C)C(C)O)C(C)C;PLSZXMVBYZOOTB-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375513;MM375513;C#CC1(O)C(C)C1OC=C;DZGDHQMLWRFIQL-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375514;MM375514;CC=C(C)OC=CC=NN;JUSJETBYTWNKLI-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375515;MM375515;C#CC1(O)C(C)C1OC=O;NZMCQWPRCUTECT-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375516;MM375516;CC=C(C)OC=CC=NO;RIAFANOSIHIWJA-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375517;MM375517;C#CC1(F)C(C)C1OC=C;IGPBAMDXJHCXOW-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375518;MM375518;CC=NN=COC(C)=CC;KXDGTYSZTATTCQ-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375519;MM375519;C#CC1(C)C(C)C1ON=C;WXFFTPBRPNYCHD-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375520;MM375520;CC=NN=COC(C)=CF;HJEFPUGFSWAUMO-UHFFFAOYSA-N;144.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375521;MM375521;O=CC1CC1CN1CC1;LJPDFKRMGPTTHH-UHFFFAOYSA-N;125.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375522;MM375522;C#CC(C)=CC(O)CC=C;VFFCELMCJDVIAH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375523;MM375523;C#CC1(F)C(C)C1ON=C;TZVXMEWRSACLJR-UHFFFAOYSA-N;141.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375524;MM375524;CC=NN=COC(C)=NO;UVKMRVHVKPYDPQ-UHFFFAOYSA-N;143.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375525;MM375525;C#CC1(C)C(CC=C)N1C;LJMOQOTXTMRKMQ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375526;MM375526;CC(O)CC(C)C(C)CO;DGASMILFPABBSL-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375527;MM375527;CCCC1CC(C)(CO)C1;VETGBQOYRISLLE-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375528;MM375528;CC#CC=CCC(C)=CC;OAIJFKTWVIGFSE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375529;MM375529;C#CC1(C)C(CC#N)N1C;NIRSMJLEVOGQFD-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375530;MM375530;CC#CC=CCC(C)=NN;HXUWZSVDXSIHDZ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375531;MM375531;C#CC1(C)C(C)N1CC=C;DVRXKTWEBNZQMB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375532;MM375532;CC#CC=CCC(C)=NO;OLKJLPCWOCOFAJ-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375533;MM375533;C#CC1(C)C(C)N1CC#N;YIUWHAPAWXSQOT-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375534;MM375534;CC#CC=CNC(C)=NC;JHAOBCIGDHLIQM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375535;MM375535;C#CC1(C)C(C)N1NC=N;XLLXDLROOGDBJF-UHFFFAOYSA-N;137.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375536;MM375536;CC#CC=CN=C(C)NN;BYEHUUIHBYATAG-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375537;MM375537;C#CC1(C)C(C)N1NC=O;IDJUDHGRWNZMSZ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375538;MM375538;C#CC(C=C(C)C)C(C)O;NZVKXXZAFSKJRF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375539;MM375539;C#CCC1C(C)C1(C)C#C;XGJHWXADPQAGRQ-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375540;MM375540;C=C(C)C(C)(C)C1CC1O;HOCJIAGJMGAUBS-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375541;MM375541;C#CCC1C(N)C1(C)C#C;AFNGZZCBUUIEMY-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375542;MM375542;CC#CC=COC(C)=CC;IUVFKEUJRRQLOL-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375543;MM375543;CC#CC1CC(C)(CO)C1;OJFTZYQDEBEDPQ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375544;MM375544;C=CC#CCC(O)CCC;CBRNPRHLCURWGE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375545;MM375545;C#CCC1C(C)C1(N)C#C;RZQHLMNWLNPCNS-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375546;MM375546;CCCC#CCC(C)CC;PXDBOQOEGFDNSG-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375547;MM375547;C#CCC1C(N)C1(N)C#C;NCHBODNVNPEBJG-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375548;MM375548;CCC(C)CC#CCCN;LRZDVZJARFAKQO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375549;MM375549;C#CCC1C(O)C1(N)C#C;MQPFBELPIGHBFM-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375550;MM375550;CCC(C)CC#CCCO;RZKPPWVBZMKPDM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375551;MM375551;C#CCC1C(C)C1(O)C#C;IPNAAEUSYNEKQQ-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375552;MM375552;CCCC#CCC(C)CN;PILQXBQSXTZGTE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375553;MM375553;C#CCC1C(C)C1(F)C#C;RDYCLWJYRXFTKX-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375554;MM375554;CC(CN)CC#CCCN;SZVHNFJTKOGWOL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375555;MM375555;C#CCC1N(C)C1(C)C#C;VYWHEWYWFPUYQA-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375556;MM375556;CC(CN)CC#CCCO;IQBHCHPVOOGOMN-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375557;MM375557;C#CCN1C(C)C1(C)C#C;RQYMBDKALZUWEP-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375558;MM375558;C=CNC(=N)C(F)C#CC;NHENUVUPWQNCCL-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375559;MM375559;C=CC1(C)C(C)CCN1C;IABVKZQVDBBGNV-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375560;MM375560;CC(CO)CC#CCCN;QGRPBSRWILUIPM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375561;MM375561;C=C1CCC(C)C1(C)NC;BLZICMYLUISYQL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375562;MM375562;CCCC#CCC(C)CF;DTCXHFSDBLGXFX-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375563;MM375563;C=CC1(C)C(=C)CCC1C;UWLUBSVZGBFPJJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375564;MM375564;CC(CF)CC#CCCN;UBYZTIIOUFFJFP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375565;MM375565;C=CC1(C)C(=O)CCC1C;IKWADBVEFCPLNN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375566;MM375566;CC(CF)CC#CCCF;WFPWRYXNMZJPEZ-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375567;MM375567;C=CC1(C)C(=C)CCC1N;IERYKYZPDASYAJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375568;MM375568;CCCC#CCC(N)CC;VADURDMUFTYZSB-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375569;MM375569;C=C(F)CC1CC1(C)CO;LLNBGMFUGJCMJZ-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375570;MM375570;CCC(N)CC#CCCN;NVLQYMAQAJZXGI-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375571;MM375571;C=CC1(C)C(=C)OCC1C;OUJDAHLGRBLAOU-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375572;MM375572;CCC(N)CC#CCCO;MCPHXJOEMSYNMM-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375573;MM375573;C#CCC(=CC)CC(C)O;VRQYYMPECKHMIR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375574;MM375574;CCCC#CCC(N)CN;PASAPOYEKUJHJA-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375575;MM375575;C=CC1(C)C(=C)COC1C;OSOGHUUVXJIRIT-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375576;MM375576;NCC(N)CC#CCCO;VUFIDVVRSPMPKU-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375577;MM375577;C#CC1(C)C(=O)OCC1C;RKQYDOCVJIYAOU-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375578;MM375578;CCCC#CCC(N)CO;VWRZVGIYYDHFNI-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375579;MM375579;CCC(CCN)C(C)CN;KPBBTSQAHDYOMW-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375580;MM375580;NCCC#CCC(N)CO;DMXIKMZZLLHYNQ-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375581;MM375581;CCC(CCF)C(C)CN;JGIDXTHTSOWCEV-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375582;MM375582;CCCC#CCC(N)CF;BASPSXGDULPFEG-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375583;MM375583;CCC(CCN)C(C)CF;PGQLOEVECASSCK-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375584;MM375584;CCC(CC)=C(C)C(C)O;GBRIAFHVTPTHRM-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375585;MM375585;CCC(CCF)C(C)CF;QDIABPZCWAAXAR-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375586;MM375586;CCC(O)CC#CCCN;CKQDJQZKGYLXKG-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375587;MM375587;CCC(C)C(CN)CCN;GVIHCGMZTFONAP-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375588;MM375588;CCC(O)CC#CCCO;IRJFTNBCWNQEMB-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375589;MM375589;CCC(C)C(CN)CCF;VGMBFDMMSGHEQX-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375590;MM375590;CCCC#CCC(O)CN;NHJXGRCGHDFTPV-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375591;MM375591;CCCC(CN)C(C)CF;ULPBBQNKOJWURI-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375592;MM375592;NCC(O)CC#CCCO;JOYCNJRBWWULFZ-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375593;MM375593;CC(CF)C(CN)CCN;CVLCMAXQBGDCBS-UHFFFAOYSA-N;148.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375594;MM375594;CCCC#CCC(O)CO;ZFRYHJXRCFTGRY-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375595;MM375595;CC(CF)C(CN)CCO;PLGKRNHPBBHYLY-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375596;MM375596;CCCC#CCC(O)CF;LAMARMNAMLIFLC-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375597;MM375597;CC(CF)C(CN)CCF;KUARGRCCFOHWRL-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375598;MM375598;NCCC#CCC(O)CF;SEDOVBZYJINRBJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375599;MM375599;CCCC(CO)C(C)CN;BWCRJQCBVDLKOH-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375600;MM375600;CC(CF)C(CO)CCF;ZEEBUQMVUWFSRH-UHFFFAOYSA-N;152.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375601;MM375601;CCCC#CCC(F)CC;HQCDXWUHFLCFTB-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375602;MM375602;CCC(C)C(CF)CCN;FGRIIWKVNIUGNI-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375603;MM375603;CCCC#CCC(F)CN;WKTOVZVLBLZINA-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375604;MM375604;CCC(C)C(CF)CCO;BSEGGEGQEMNZIU-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375605;MM375605;NCC(F)CC#CCCO;LLOYMKAMWUOJCJ-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375606;MM375606;CCCC(CF)C(C)CN;JLTDCTMKQIWKQK-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375607;MM375607;CCCC#CCC(F)CO;GWJCTCZKXBQJBD-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375608;MM375608;CC(CN)C(CF)CCO;FYOIOAGVSQQCHT-UHFFFAOYSA-N;149.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375609;MM375609;NCCC#CCC(F)CO;HIMPWOGGLGJNGP-UHFFFAOYSA-N;145.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375610;MM375610;OCCC#CCC(F)CO;BSPUAZHOXMKVHU-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375611;MM375611;CCCC(CF)C(C)CO;JWIFBQGKLORLRX-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375612;MM375612;CCCC#CCC(F)CF;KWQYTNXIMOSYRI-UHFFFAOYSA-N;146.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375613;MM375613;CCCC(CF)C(C)CF;OMLMNABGCGWRPG-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375614;MM375614;NCCC#CCC(F)CF;PRQPMNDUXFNYRS-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375615;MM375615;CC(CF)C(CF)CCO;KPIRLEIAMBQEGV-UHFFFAOYSA-N;152.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375616;MM375616;CCC(C)CC#CCNC;VTLQVFBJRUMAER-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375617;MM375617;CC(CF)C(CF)CCF;QCFNHXXYVYEVND-UHFFFAOYSA-N;154.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375618;MM375618;CNCC#CCC(C)CF;YZXVHQHAJXQMJT-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375619;MM375619;CCC(N)C(CC)CCN;DUNYPNSJFNXTDU-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375620;MM375620;CCC(N)CC#CCNC;INTFMNVVLOBNPU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375621;MM375621;CCC(N)C(CC)CCF;QXPKCBRSUDKCHO-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375622;MM375622;CNCC#CCC(N)CN;GWFKPAHLWMWGPH-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375623;MM375623;CCCC(CC)C(N)CN;PALZDOWLDHSYSQ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375624;MM375624;CNCC#CCC(N)CO;NKIRDXKCSCHPDV-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375625;MM375625;CCC(CCN)C(N)CN;SMFJADOQZPVNGY-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375626;MM375626;CNCC#CCC(N)CF;QSFLWCAWQYICJJ-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375627;MM375627;CCC(CCF)C(N)CF;BBWSPFFPWANXFR-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375628;MM375628;CCC(O)CC#CCNC;PMJLCNDOZSYTNS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375629;MM375629;CCCC(CN)C(N)CN;FEIPWYAGOAMMQZ-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375630;MM375630;CCC(F)CC#CCNC;HDUHDSZBKVEDTH-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375631;MM375631;CCCC(CO)C(N)CC;KYRBRHNOGDZRNP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375632;MM375632;CCC(C)CC#CCOC;HCPOBWOQLSFQOV-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375633;MM375633;CCCC(CF)C(N)CC;CDCGWACFPVSHIH-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375634;MM375634;COCC#CCC(N)CN;MVRVWQYXXYUGRJ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375635;MM375635;CCC(N)C(CF)CCF;PNIROFNXONMMPP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375636;MM375636;COCC#CCC(N)CO;GVGRLUMIUGCQSV-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375637;MM375637;CCCC(CF)C(N)CF;NFXCZVYILNMGLP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375638;MM375638;C=C(C)C(=O)CC=NNC;YATOTVYAVCFDCX-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375639;MM375639;NCCC(CF)C(N)CF;SVSWFAZKCOHXBN-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375640;MM375640;COCC#CCC(O)CN;HVXSKWQWJYRDFT-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375641;MM375641;CCCC(CC)C(O)CN;MONFNXPMLTVHCX-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375642;MM375642;COCC#CCC(O)CO;MZFKPGBUDREVFR-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375643;MM375643;CCCC(CC)C(O)CO;UIGRFNAYXZZORJ-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375644;MM375644;COCC#CCC(O)CF;UDAQROHRBLTUNQ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375645;MM375645;CCC(CCN)C(O)CO;DURFLLZBPIPSOD-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375646;MM375646;COCC#CCC(F)CN;OABKRIJBIDWQGU-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375647;MM375647;CCC(CCO)C(O)CO;VKJSKRWXWDEMSI-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375648;MM375648;COCC#CCC(F)CO;TZMUJNZSGUOLMX-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375649;MM375649;CCCC(CN)C(O)CC;GAWPLFWVNRUHFG-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375650;MM375650;CCCC#CCC(C)NC;IRYANLIIWCNMIP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375651;MM375651;CCCC(CN)C(O)CO;BYKIGBRDEDQFTJ-UHFFFAOYSA-N;147.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375652;MM375652;CNC(C)CC#CCCN;AOINIRLJTNBPLS-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375653;MM375653;CCCC(CN)C(O)CF;NWGJUKWPZOUHQS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375654;MM375654;CNC(C)CC#CCCO;MSUNGYMIFQNPEC-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375655;MM375655;CCCC(CO)C(O)CC;SGEQQFLWQSODRK-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375656;MM375656;CNC(C)CC#CCCF;GDMVLCTXSPHYNT-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375657;MM375657;NCC(O)C(CF)CCF;IVLCRRJBTQGNPC-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375658;MM375658;CNC(C)CC#CCOC;RNBSZIDOMMZSMH-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375659;MM375659;OCC(O)C(CF)CCF;TXZJNEZHEJCWKL-UHFFFAOYSA-N;154.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375660;MM375660;CCCC#CCC(C)OC;KDBQXSYELCMYMA-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375661;MM375661;OC(CF)C(CF)CCF;IUFGBHRGQTYRBP-UHFFFAOYSA-N;156.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375662;MM375662;COC(C)CC#CCCN;GQUQHPIXQVFNGA-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375663;MM375663;CCC(CCF)C(F)CN;PGWZHUNMKYOEMD-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375664;MM375664;CNCC#CCC(C)OC;AFDIOPSGZDITPU-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375665;MM375665;CCC(CCN)C(F)CF;JYVSJAYEVBELJY-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375666;MM375666;COCC#CCC(C)OC;CNXMBJBVPUJOIH-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375667;MM375667;CCC(F)C(CN)CCN;GEPVOXIJHNXSCB-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375668;MM375668;CCCC#CCN(C)CC;IUQOMLHTWKYYJT-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375669;MM375669;CCCC(CN)C(F)CF;ZZGIUMBDEBHCDA-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375670;MM375670;CCN(C)CC#CCCF;IGYBFWKWHAHCID-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375671;MM375671;CCCC(CF)C(F)CC;CTYKCIVFPOCFTP-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375672;MM375672;C=CCC#CCC(C)CC;IPTGSCKEAFYTSX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375673;MM375673;CCC(F)C(CF)CCN;WZWWCXYPRVQSCP-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375674;MM375674;CCC(C)CC#CCC=O;JXYPQORGTHPTDL-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375675;MM375675;CCC(F)C(CF)CCF;QVPXIFNTECMLSN-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375676;MM375676;CCC(C)CC#CCC#N;MIWWCVDHRXLJBL-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375677;MM375677;CCCC(CF)C(F)CN;OMCBFQINRIPIML-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375678;MM375678;C=CCC#CCC(C)CN;KDGYFQDDHVAGMU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375679;MM375679;OCC(F)C(CF)CCF;PYBJXBABFFQPKZ-UHFFFAOYSA-N;156.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375680;MM375680;C#CCC1(C)C(O)C1C#C;ZNIZFFJXZVTPMG-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375681;MM375681;CNCC(CN)C(C)CN;LDPCBZIZNHUZOF-UHFFFAOYSA-N;145.25;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375682;MM375682;C=NN(C)CCC(C)C=O;DOYXDTRNCNDSCC-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375683;MM375683;CCC(C)C(CF)CNC;RKPBNUAAXFHKKU-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375684;MM375684;CC(CF)CC#CCC=O;GEEYZNCBQWJDAB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375685;MM375685;CNCC(CF)C(C)CF;OGRQWLBNDCZPJA-UHFFFAOYSA-N;151.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375686;MM375686;C=CCC#CCC(N)CC;MXVNGJXLGBQEOG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375687;MM375687;CCC(N)C(CC)CNC;CELMFYUKUUMNAU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375688;MM375688;C=CCC#CCC(N)CN;KNAJVRTZNFSZHW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375689;MM375689;CCC(CNC)C(N)CN;KIUYJHJVJDIWJE-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375690;MM375690;C=CCC#CCC(N)CO;NDKYOUGPJUGIME-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375691;MM375691;CCC(CNC)C(N)CO;NWOBKMCUSIIWFY-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375692;MM375692;C=CCC#CCC(N)CF;RQVALHJBFHZYRT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375693;MM375693;CCC(CNC)C(N)CF;PRCDXITZHLUVAY-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375694;MM375694;C=CC(O)CC(CC)CC;UBBVVVMFNFFPKC-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375695;MM375695;CCC(N)C(CN)CNC;BOYNMZWSSPUJOU-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375696;MM375696;C#CC(C)CC(CC)CO;AUTZVHIZRXDBDR-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375697;MM375697;CNCC(CO)C(O)CO;PPZQSOJLHWEYAM-UHFFFAOYSA-N;149.19;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375698;MM375698;CCC(O)CC#CCC#N;AMNZCGIKXDXCCS-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375699;MM375699;C=CCC#CCC(O)CN;XJABPKTYEOQOAW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375700;MM375700;CNCC(CO)C(O)CF;RCQXFZFDHAQTRL-UHFFFAOYSA-N;151.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375701;MM375701;C=CCC#CCC(O)CO;XWSGQZGTDMHIPC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375702;MM375702;CCC(CNC)C(F)CO;AQIJBWHLMBWVCC-UHFFFAOYSA-N;149.21;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375703;MM375703;O=CCC#CCC(O)CO;DKHJAHBIYWJVKV-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375704;MM375704;CCC(CNC)C(F)CF;RSEUQKBYCDSHQD-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375705;MM375705;C=CCC#CCC(O)CF;QPLLHNANSWBQSD-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375706;MM375706;CCC(F)C(CN)CNC;FJJGDKRHGCGATA-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375707;MM375707;O=CCC#CCC(O)CF;YVSILPVCJURYDI-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375708;MM375708;CCC(F)C(CF)CNC;BRVVYVFPASOSLF-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375709;MM375709;N#CCC#CCC(O)CF;JWPKXEBUQLFRMQ-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375710;MM375710;COCC(CO)C(N)CO;ICESJSHRLYHCMZ-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375711;MM375711;C=CCC#CCC(F)CC;HNJMIUIFKSAAJT-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375712;MM375712;COCC(CO)C(O)CN;FSWLBYQQIVZGEM-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375713;MM375713;C=CCC#CCC(F)CN;DFBZFLGPVLVDEQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375714;MM375714;COCC(CO)C(O)CO;IZJFUOCCZGFNNS-UHFFFAOYSA-N;150.17;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375715;MM375715;N#CCC#CCC(F)CO;PGVAWJIWASFMLK-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375716;MM375716;COCC(CO)C(O)CF;ZNHWAJDERZSINP-UHFFFAOYSA-N;152.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375717;MM375717;C=CCC#CCC(F)CF;OGFKEXWAGPUYFQ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375718;MM375718;COCC(CN)C(F)CF;DWHGNVSJZRXZLE-UHFFFAOYSA-N;153.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375719;MM375719;C=CCC#CCC(C)NC;ZVPZZKVBJQZPLK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375720;MM375720;COCC(CF)C(F)CN;LAEJNIGZMHRUKN-UHFFFAOYSA-N;153.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375721;MM375721;CNC(C)CC#CCC=O;AXSMYYBOYXLLHT-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375722;MM375722;CCCC(CC)C(C)NC;UYPUZKGPDYVJQR-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375723;MM375723;C=CCC#CCC(C)OC;WLGFVGHCLQCMQP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375724;MM375724;CCCC(CF)C(C)NC;HXWBOTDJJBFBPY-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375725;MM375725;COC(C)CC#CCC=O;LACSLINKVRCCRJ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375726;MM375726;CNCC(CN)C(C)NC;GNVJIRYTLWQEHN-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375727;MM375727;COC(C)CC#CCC#N;DNXNZWFOXLYINL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375728;MM375728;CCC(CCN)C(C)OC;DMLWKZFPODBQJC-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375729;MM375729;C=CCC#CCN(C)CC;HJEVNUWFIRCNJW-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375730;MM375730;CCCC(CN)C(C)OC;QRRZESFUILCUJP-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375731;MM375731;CCN(C)CC#CCC#N;LVHSUZOSMLENHT-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375732;MM375732;COC(C)C(CO)CCO;VGILOBODPBBQPQ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375733;MM375733;C#CCC#CCC(C)CC;PJZKQQVMHBSCKE-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375734;MM375734;COC(C)C(CF)CCO;YCURFCFBVZMXJU-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375735;MM375735;C#CCC#CCC(C)CN;XGGAWYCCKFOXQP-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375736;MM375736;CNCC(CF)C(C)OC;KNWGKLGELMCGNP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375737;MM375737;C=CC(C=O)CN(C)C=O;SVLSFOXMOFBLLE-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375738;MM375738;COCC(CO)C(C)OC;VQUMFMIKUCYREJ-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375739;MM375739;C#CCC#CCC(N)CC;XYOFCDQLCXBHBU-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375740;MM375740;CCCC(NC)C(C)CC;HDAJHOXTZGLYMU-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C1";;;;;;;3.68;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375741;MM375741;C#CCC#CCC(N)CN;KLLSRYQBXQPGHN-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375742;MM375742;CCC(C)C(CCF)NC;GVAOLGHLWYVHQI-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375743;MM375743;C#CCC#CCC(N)CF;BIYWWUZIQOJXRY-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375744;MM375744;CNC(CCN)C(C)CN;XKUFKWUXPBRGHY-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375745;MM375745;C#CC(C=C)CC(O)C=C;FCSSOTQEJAZOCL-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375746;MM375746;CCCC(NC)C(N)CN;MKSRDDCSGYMEOR-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375747;MM375747;C#CCC#CCC(O)CF;QZDFZTZDTDWXNR-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375748;MM375748;CCCC(NC)C(N)CO;PIZKUQDDFOXVAM-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375749;MM375749;C#CCC#CCC(F)CC;HJEAHHNHHJVCFR-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375750;MM375750;CCCC(NC)C(O)CC;UUHGNAXLJCQBFT-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375751;MM375751;C#CCC#CCC(F)CN;RYXUCRQDBSITBX-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375752;MM375752;CCC(O)C(CCO)NC;MGXHBLDDPLIHDZ-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375753;MM375753;C#CCC#CCC(F)CF;SKLRAIIRBRPHNA-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375754;MM375754;CCCC(NC)C(O)CN;JMPKUCWOFDSZKM-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375755;MM375755;C#CCC#CCC(C)NC;OAXFROWLUBCBSY-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375756;MM375756;CNC(CCO)C(O)CO;AXWONDZQCVTMKC-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375757;MM375757;C#CCC#CCC(C)OC;OFNMQGBCYXZLRJ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375758;MM375758;CNC(CCF)C(F)CN;KTYLXACIYQDUAX-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375759;MM375759;C#CCC#CCN(C)CC;MIAYIAVDIYNEIK-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375760;MM375760;CCCC(NC)C(F)CF;RGUJAYYNIUSDHX-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375761;MM375761;C=CC(C)CC#CCCC;KUWBDEFUFGRBHL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375762;MM375762;CNCC(NC)C(C)CN;MDHWEYYFDQFRLA-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375763;MM375763;C=CC(C)CC#CCCN;QAHHMJRIMIQKCW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375764;MM375764;CNC(C)C(CCN)NC;ZOLFOHMSKXZDRG-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375765;MM375765;C=CC(C)CC#CCCO;VDXQYBABQAHAEK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375766;MM375766;CNC(CCN)C(C)OC;XXHYCGFQVOEIGD-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375767;MM375767;C=CC(C)CC#CCCF;XBPCXSYTXIUWEP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375768;MM375768;CCC(N)C(CCF)OC;PCBLDVUTQJKFGK-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375769;MM375769;CCCC#CCC(C)C=O;ZVMMIEBUFQVFTI-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375770;MM375770;COC(CCO)C(N)CO;RCBMGVYWIMNLIT-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375771;MM375771;CCCC#CCC(C)C#N;WQCGSNKCNMBIHQ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375772;MM375772;CCCC(OC)C(O)CN;UNWJTSRRHLQNBT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375773;MM375773;CC(C#N)CC#CCCO;FAWQLGWBUYNIJV-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375774;MM375774;COC(CCN)C(O)CO;UOKUSFFIKFJOBG-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375775;MM375775;C=CC(N)CC#CCCC;RWVJLWACSJYVOG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375776;MM375776;COC(CCO)C(O)CO;UAWBSPFGLFLUAV-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375777;MM375777;C=CC(O)CC#CCCC;NMFMTCLSDRBOAC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375778;MM375778;COC(CCO)C(O)CF;VXCSBSOOSGLOER-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375779;MM375779;C=CC(O)CC#CCCF;CHWLDWJVQHCVSC-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375780;MM375780;COC(CCF)C(O)CF;QPILDFMLSSRLTN-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375781;MM375781;CCCC#CCC(O)C=O;GYDWAAIWDMBJDA-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375782;MM375782;CNCC(OC)C(N)CO;BBVFVVFCSOYXOQ-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375783;MM375783;CCCC#CCC(O)C#N;KLIMPRTUCFFPPQ-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375784;MM375784;CNCC(OC)C(O)CF;UVNVHNAOVQJDAC-UHFFFAOYSA-N;151.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375785;MM375785;N#CC(O)CC#CCCO;MBRGYJVWNSVHSE-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375786;MM375786;CNCC(OC)C(F)CO;MBRGTTPHUOWGCE-UHFFFAOYSA-N;151.18;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375787;MM375787;C=CC(F)CC#CCCC;FBJCKICTBPWINU-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375788;MM375788;COCC(OC)C(C)CO;RAABHAUGRJWBEP-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375789;MM375789;C=CC(F)CC#CCCN;WVNBQUHSCUGQQT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375790;MM375790;COCC(OC)C(N)CO;ZFGUKCQYRROLJP-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375791;MM375791;C=CC(F)CC#CCCO;PJTYNGHEIJFJJR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375792;MM375792;COCC(OC)C(O)CO;WTUKZBHKAJYISL-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375793;MM375793;CCCC#CCC(F)C=O;AXITUGNTFFSDJU-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375794;MM375794;COCC(OC)C(O)CF;XDXMIHKQSISZTR-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375795;MM375795;CCCC#CCC(F)C#N;VCPWLWXBIIQZIM-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375796;MM375796;COCC(OC)C(F)CN;CZFKFPWAACYOJK-UHFFFAOYSA-N;151.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375797;MM375797;O=CC(F)CC#CCCO;HVHZKZONSQCNMT-UHFFFAOYSA-N;144.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375798;MM375798;COCC(OC)C(F)CO;VACCHFWFZWLWOX-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375799;MM375799;N#CC(F)CC#CCCF;SMCOPPKNNDMPGT-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375800;MM375800;CCNC(CN)C(C)CC;QFMYFJUUNSDGTM-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375801;MM375801;C=CC(C)CC#CCNC;VYBNUFGOHSJMJY-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375802;MM375802;CCNC(CN)C(C)CF;UZBBGKAREXUGLO-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375803;MM375803;CNCC#CCC(C)C=O;CDZDMPQWDCDGFB-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375804;MM375804;C=CC(F)CC#CCNC;DENLFJOKFBAANQ-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375805;MM375805;CCNC(CF)C(C)CC;PRIBMWLFSSUXJL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375806;MM375806;COCC#CCC(C)C=O;ONKRMECLRAWIAJ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375807;MM375807;CCNC(CF)C(C)CF;FBLMREBIHQTELP-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375808;MM375808;CCNC(CC)C(N)CC;UFGLRNFTOUQPGT-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375809;MM375809;COCC#CCC(C)C#N;GVSYMZLCSFIWFW-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375810;MM375810;CCNC(CC)C(N)CN;MFXVVPMUHJHOLV-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375811;MM375811;C=CC(N)CC#CCOC;KPZZCUCQEKCHCO-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375812;MM375812;CCNC(CO)C(N)CO;APZVZMQFFNDWJA-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375813;MM375813;C=CC(F)CC#CCOC;PQQWXXATHJWQDY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375814;MM375814;CCNC(CF)C(N)CF;SFTCMEQQFMQQIS-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375815;MM375815;COCC#CCC(F)C=O;JPFWSEOMHGRUKF-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375816;MM375816;CCNC(CC)C(O)CO;QIZJBJFDRBARGH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375817;MM375817;CCCC#CCN(C)C=N;CCFUDKIXNIDHEC-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375818;MM375818;CCNC(CO)C(O)CN;MDWBLHYCCLBTNH-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375819;MM375819;CN(C=N)CC#CCCN;LGDVNJBMIDPILS-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375820;MM375820;CCNC(CF)C(O)CC;CHQGGDVQOGZINJ-UHFFFAOYSA-N;149.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375821;MM375821;CCCC#CCN(C)C=O;IYPZWXABVSDTMG-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375822;MM375822;CCNC(CC)C(F)CN;VYTVZUCIZWVNJI-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375823;MM375823;CN(C=O)CC#CCCN;DYOVIRSWGFAGOL-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375824;MM375824;CCNC(CN)C(F)CF;KNDBLFFXPMPALD-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375825;MM375825;CCCC#CCN(N)C=N;PBNRVDIJIDXWCV-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375826;MM375826;CCNC(CF)C(F)CN;CHGHGURUYRLEPA-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375827;MM375827;CCCC#CCN(N)C=O;LKJJJPOTSMHGQQ-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375828;MM375828;CCNC(CC)C(C)NC;MQIDSSWTWNRYFA-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375829;MM375829;CNCC#CCN(O)C=N;ZRYVHXCLKUIWJM-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375830;MM375830;CCOC(CN)C(C)CO;ZCDDNCJKFQFOCL-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375831;MM375831;COCC#CCN(N)C=N;SOCPJJNNBTXVIH-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375832;MM375832;CCOC(CO)C(N)CN;MRKZPJKXWUEEPL-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375833;MM375833;COCC#CCN(N)C=O;RBZOQTNLIVVSNA-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375834;MM375834;CCOC(CO)C(O)CN;DIFOVVZPCJWDHT-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375835;MM375835;C=NN(C)CC#CCCC;KJRPNAJJJDNVCF-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375836;MM375836;CCOC(CO)C(O)CO;ZQWORHUGGROPSM-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375837;MM375837;C=NN(C)CC#CCOC;RNXBXCDHFYDARH-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375838;MM375838;CCOC(CO)C(O)CF;FAGRYFJLMUVWBT-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375839;MM375839;C=CCC#CCC(C)C=C;XCDAPYVAJZWVLQ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375840;MM375840;CCOC(CO)C(F)CO;DVCYFMJRAAZBLO-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375841;MM375841;C=CC(C)CC#CCC=O;QUHFQWGDTZUKEC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375842;MM375842;CCOC(OC)C(C)CN;BKPAWENJRDRZCY-UHFFFAOYSA-N;147.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375843;MM375843;C=CC(C)CC#CCC#N;SCZKMVHUFAJBEG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375844;MM375844;CCOC(OC)C(N)CC;QHXJLZYFXKEAMS-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375845;MM375845;C=CCC#CCC(C)C=O;MNACJFPNDHRESC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375846;MM375846;CCOC(OC)C(N)CO;CLAGUCLXPCKYJW-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375847;MM375847;C=CCC#CCC(C)C#N;DUYBTEUYPLZLND-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375848;MM375848;CCOC(OC)C(O)CC;ABRUOHRJHAJTIH-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375849;MM375849;CC(C=O)CC#CCC=O;ODWDQOFERCIGAT-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375850;MM375850;CCOC(OC)C(O)CN;CSYDDXLJXABTKS-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375851;MM375851;CC(C=O)CC#CCC#N;UYWBAERXTDVNPG-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375852;MM375852;CCOC(OC)C(C)NC;WMFWVGIFSQAERK-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375853;MM375853;CC(C#N)CC#CCC=O;GLGFMNYSETZMHH-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375854;MM375854;CCCC(CN)N(C)CC;KQFADZUDAPGGJT-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375855;MM375855;CC(C#N)CC#CCC#N;XPZIKXZNPREBIV-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375856;MM375856;C=CCC(CN)C(C)CO;LARSLWIEHXIICX-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375857;MM375857;C=CCC#CCC(N)C=C;ZUBBBVOOOLDJJH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375858;MM375858;C=CCC(CO)C(C)CF;RXLGOUBUAQBOKB-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375859;MM375859;C=CCC#CCC(O)C=C;WFKXOEIRJYSORS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375860;MM375860;C=CCC(CC)C(N)CN;WVMWTJDKYVOBFN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375861;MM375861;C=CC(O)CC#CCC=O;MUPSDALXFHFQOH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375862;MM375862;C=CCC(CC)C(N)CO;QRUURMQMLAOVJN-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375863;MM375863;C=CCC#CCC(O)C=O;SXUWTGYGZTZKGL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375864;MM375864;C=CCC(CC)C(N)CF;BGEBVDYDVUSKGQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375865;MM375865;C=CCC#CCC(O)C#N;WUNMIEXTEUOOAC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375866;MM375866;C=CCC(CN)C(N)CC;YSRSQINHRYHDHD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375867;MM375867;C=CCC#CCC(F)C=C;ZAGNWPZOKKGMQU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375868;MM375868;C=CCC(CN)C(N)CF;RFDILYAIWLSLAL-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375869;MM375869;C=CC(F)CC#CCC#N;PVPKUQDWCWHFCT-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375870;MM375870;C=CCC(CO)C(N)CC;RTHGQKOCWZJMMF-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375871;MM375871;C=CCC#CCC(F)C#N;AZCBEIWXUMHLAU-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375872;MM375872;C=CCC(CO)C(N)CN;IQGQEPNOTBDSFN-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375873;MM375873;O=CCC#CCC(F)C=O;GQQQTVQDIRCZTR-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375874;MM375874;C=CCC(CF)C(N)CC;DWHBNCBYBAAXFW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375875;MM375875;N#CC(F)CC#CCC=O;NTOSIUXUGNXXKV-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375876;MM375876;C=CCC(CF)C(N)CN;GLMMJYQKDLRXDY-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375877;MM375877;C=CCC#CCN(C)C=N;DYUQRZZTRLRZRN-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375878;MM375878;C=CCC(CF)C(N)CF;RLJDKYDYWLUBOH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375879;MM375879;C=CCC#CCN(C)C=O;GKRGIKOOYDWLLT-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375880;MM375880;CCC(CC=O)C(O)CO;MWALMEQYOYBTPA-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375881;MM375881;CN(C=O)CC#CCC#N;CZBPNUXPFBQOSC-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375882;MM375882;CCC(CC#N)C(O)CO;BBZMLTSXLQRVTR-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375883;MM375883;C=CCC#CCN(N)C=O;DIMGQXMGDPOGFL-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375884;MM375884;C=CCC(CN)C(O)CC;XICDFHQASSYSSC-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375885;MM375885;C=CCC#CCN(C)N=C;DVRNKARGCQRFIF-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375886;MM375886;C=CCC(CN)C(O)CO;NGBUARHIJVEDQH-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375887;MM375887;CCC(=CC(O)CC)CC;SIEPBQBAWNARAV-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375888;MM375888;C=CCC(CO)C(O)CC;ZWTKJZUHEFKZLO-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375889;MM375889;CCC(CO)CCC(C)C;KVJOUCNJVQBRAO-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375890;MM375890;N#CCC(CO)C(O)CO;DGBRZPWZCOHPFP-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375891;MM375891;C#CCC#CCC(C)C=C;LZPQOZHKZXSMJU-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375892;MM375892;CCC(O)C(CF)CC=O;YNBVAJNMMMOAFT-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375893;MM375893;C#CCC#CCC(C)C=O;RFZIBJZXMUVIKF-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375894;MM375894;C=CCC(CN)C(F)CC;QIMBRTMCLUFYNU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375895;MM375895;C#CCC#CCC(C)C#N;HRQBPZADVWHSRD-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375896;MM375896;C=CCC(CN)C(F)CN;NBJLSUMHSXIPLA-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375897;MM375897;C#CCC#CCC(N)C=C;VDNHZLDKJLSPJW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375898;MM375898;N#CCC(CO)C(F)CO;PKASKTJITRUQNV-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375899;MM375899;C#CCC#CCC(O)C=C;HUNVZGPOLYCAKN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375900;MM375900;C=CCC(CO)C(F)CF;XZFNGSVTNUZNQD-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375901;MM375901;C#CCC#CCC(O)C#N;JGAGCXZXQNYBLK-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375902;MM375902;N#CCC(CO)C(F)CF;DVYBXGQAYVJZKQ-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375903;MM375903;C#CCC#CCC(F)C=C;UDMKXXXRAKACPV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375904;MM375904;C=CCC(CF)C(F)CN;VMQVWMPGICXMRP-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375905;MM375905;C#CCC#CCC(F)C=O;KBBDQXRUXVMIBJ-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375906;MM375906;CCC(CC=O)C(C)NC;NOTTXHVCNZCAGV-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375907;MM375907;C#CCC#CCC(F)C#N;GIIMCZPXULJESF-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375908;MM375908;CNC(C)C(CO)CC#N;GBNSMJFMYPRJFI-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375909;MM375909;C#CCC#CCN(C)C=N;YZWVYIVMQVAKMG-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375910;MM375910;C=CCC(CN)C(C)OC;BSODJVFXPSWGHO-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375911;MM375911;C#CCC#CCN(C)C=O;PAHZYBUDLBJQGX-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375912;MM375912;COC(C)C(CF)CC=O;CODIAKLSWPGBJF-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375913;MM375913;C#CCC#CCN(N)C=N;KAXMTVBQZQUGKJ-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375914;MM375914;COC(C)C(CF)CC#N;OZMVJTMJJXYLTN-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375915;MM375915;C#CCC#CCN(C)N=C;IQHCLAHVOGLXFO-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375916;MM375916;C=CCC(NC)C(C)CC;GXPNTRKPUJRMRF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375917;MM375917;C#CC(C)CC#CCCC;SYAGGUYKJFKCNX-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375918;MM375918;CCC(C)C(CC=O)NC;RXXYGECKJRCMBL-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375919;MM375919;C#CC(C)CC#CCCN;ZMRZOXBSBPDDTN-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375920;MM375920;C=CCC(NC)C(C)CF;NEMZBSYLAYPEDL-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375921;MM375921;C#CC(C)CC#CCCO;OVQDHKHWWIZJNO-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375922;MM375922;CNC(CC=O)C(C)CF;DWACJMRCKTWXPJ-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375923;MM375923;C#CC(N)CC#CCCC;KTKBBDSWUHAAKG-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375924;MM375924;C=CCC(NC)C(N)CC;WQOXEOIAZCEZAH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375925;MM375925;C#CC(O)CC#CCCC;KSHPYJAIGOUERP-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375926;MM375926;C=CCC(NC)C(F)CC;CBIHXIKNMSXCSU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375927;MM375927;C#CC(F)CC#CCCC;FOOVKOPTTWQNAB-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375928;MM375928;CCC(F)C(CC=O)NC;SABSSBJUXJUWJQ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375929;MM375929;C#CC(F)CC#CCCN;YAAVOSKRLLFIRP-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375930;MM375930;C=CCC(OC)C(N)CN;LPJFGWAGVCLHNE-UHFFFAOYSA-N;144.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375931;MM375931;C#CC(C)CC#CCNC;QYNWZEGESPNIIV-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375932;MM375932;C=CCC(OC)C(N)CF;AACYNZWIZXELLC-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375933;MM375933;C#CC(N)CC#CCNC;FIQHKPYUXGXDFN-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375934;MM375934;C=CCC(OC)C(O)CN;KBKBNWGGYCILHF-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375935;MM375935;C#CC(F)CC#CCNC;GSHWMJRTEYETJW-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375936;MM375936;COC(CC#N)C(O)CO;QXMCREOIMCTCAC-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375937;MM375937;C#CC(C)CC#CCOC;MBMXVXRQZJYOGY-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375938;MM375938;COC(CC#N)C(F)CO;BWJFOWNSTMEEAI-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375939;MM375939;C#CC(N)CC#CCOC;CFDPTBXZNYNIQI-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375940;MM375940;CCC(NC=N)C(C)CO;ZVQGECDHFCQQAE-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375941;MM375941;C#CC(O)CC#CCOC;AOCCIMHEPOAPFU-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375942;MM375942;CCC(C)C(CO)NC=N;MDEVXXWBPCONCM-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375943;MM375943;C#CC(C)CC#CCC=C;JNJIKVUBZSMZEW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375944;MM375944;CC(CF)C(CF)NC=N;VSOZPOSWYOSWFT-UHFFFAOYSA-N;150.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375945;MM375945;C#CC(C)CC#CCC=O;UKXZLKCGXCZOBE-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375946;MM375946;N=CNC(CN)C(N)CN;ILQUJNUJTJSPAO-UHFFFAOYSA-N;145.21;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375947;MM375947;C#CC(C)CC#CCC#N;UMJCHONSZRKNCJ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375948;MM375948;N=CNC(CN)C(N)CO;LYKALFZBXXCZPP-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375949;MM375949;C#CC(N)CC#CCC=C;WCOOEPQVCJHMAI-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375950;MM375950;NCC(N)C(CO)NC=O;CETCRUXACWUEPU-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375951;MM375951;C#CC(O)CC#CCC=C;DTDNICUFACVNKZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375952;MM375952;O=CNC(CO)C(O)CO;QAMUCHVOWSVLHO-UHFFFAOYSA-N;149.15;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375953;MM375953;C#CC(O)CC#CCC#N;QXYGRKXGAOPUOA-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375954;MM375954;N=CNC(CO)C(O)CF;RVDSOERLLHMOQX-UHFFFAOYSA-N;150.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375955;MM375955;C#CC(F)CC#CCC=C;TZNBOWQMESFWKM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375956;MM375956;CCC(NC=N)C(F)CO;KMKREDVUGPDZBO-UHFFFAOYSA-N;148.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375957;MM375957;C#CC(F)CC#CCC=O;FTHNCEDUIFGWQC-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375958;MM375958;C=NNC(CC)C(C)CF;WPHPBFJMBYBLAV-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375959;MM375959;C#CC(F)CC#CCC#N;NNYDCTSVQCLVFE-UHFFFAOYSA-N;135.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375960;MM375960;C=NNC(CO)C(C)CN;SCKHWIZEWAAFKJ-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375961;MM375961;C#CCC#CCC(C)C#C;QJTUSMNUNQHJEO-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375962;MM375962;C=CC1(O)CC(C(C)C)C1;NLHTXKWSIDBZSV-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375963;MM375963;C#CCC#CCC(N)C#C;ZDCAFTFDKZMPTC-UHFFFAOYSA-N;131.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375964;MM375964;CC#CC(=O)CNCC=O;YCECSHYAUVJVLN-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375965;MM375965;C#CCC#CCC(O)C#C;WLAWODJQXQBGCL-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375966;MM375966;C=CNC(=NNC)C(C)=O;LAEOVMVHTMCVLO-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375967;MM375967;C#CCC#CCC(F)C#C;FLZZCLDPALXYJY-UHFFFAOYSA-N;134.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375968;MM375968;C=NNC(CN)C(F)CO;JPONCBXXHBEXJQ-UHFFFAOYSA-N;149.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375969;MM375969;C=C(CC)CC#CCCC;KDOSGDQEHSCZCZ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375970;MM375970;C#CCC1=CC(O)C(C)C1;GIGQLQUGPIADFX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375971;MM375971;C=C(CC)CC#CCCN;QRUWOSLJAPHQNL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375972;MM375972;COC(C)C(CF)NC=O;LMWQWDYURIJQEF-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375973;MM375973;C=C(CC)CC#CCCO;FECIUNJWIBQGCH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375974;MM375974;CCC(OC=O)C(C)CN;XOJXPGANTWQKBY-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375975;MM375975;C=C(CC)CC#CCCF;SQIVGPCRCJIUDT-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375976;MM375976;CCC(C)C(CN)OC=O;IOACKRDAIFLSPA-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375977;MM375977;C=C(CN)CC#CCCC;GLCCPSILUNEEJQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375978;MM375978;CC(CF)C(CO)OC=O;STYHNWYADPTQII-UHFFFAOYSA-N;150.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375979;MM375979;C=C(CN)CC#CCCF;UMQUVQHHAFJMCG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375980;MM375980;CC(CO)C(CF)OC=O;JOSRVCHZQAMKFV-UHFFFAOYSA-N;150.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375981;MM375981;C=C(CO)CC#CCCC;RYOGQVPUBXTUAI-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375982;MM375982;C=COC(CF)C(C)CF;SWQVLXDLTYACOU-UHFFFAOYSA-N;150.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375983;MM375983;C=C(CO)CC#CCCF;CENMDSJZXGCZHH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375984;MM375984;C=COC(CC)C(N)CN;BNWLYQCBNMBIOC-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375985;MM375985;C=C(CF)CC#CCCC;GEILWWQWSXGVGH-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375986;MM375986;C=COC(CO)C(N)CO;QGWXNFKWQHYAHJ-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375987;MM375987;C=C(CF)CC#CCCN;PZDMKOXQIWSKLD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375988;MM375988;C=COC(CF)C(N)CC;DINHERYKUIYPLN-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375989;MM375989;CCCC#CCC(=O)CC;FLRNPJXVJNGGGQ-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375990;MM375990;CCC(OC=O)C(O)CO;SAUPKFKIPNKNOH-UHFFFAOYSA-N;148.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375991;MM375991;CCC(=O)CC#CCCO;BWAAVGIVGXXRHX-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375992;MM375992;C=COC(CN)C(O)CC;OWOXQMLKHCXZMV-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375993;MM375993;CCCC#CCC(=O)CO;CYHQDIDEMMUKSW-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375994;MM375994;C=COC(CO)C(O)CO;CRSBWIMUFDBIJT-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375995;MM375995;CCCC#CCC(=O)CF;NADBKTBVEJWBCW-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375996;MM375996;C=COC(CO)C(O)CF;MTXKOGVOKLFSIS-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375997;MM375997;C=C(CC)CC#CCNC;UCWQGBHFGSHCBC-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375998;MM375998;C=COC(CF)C(O)CO;JLEQKDBMNTWDTQ-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM375999;MM375999;C=C(CF)CC#CCNC;VELJXGDOSZITDA-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376000;MM376000;CCC(OC=O)C(F)CN;ZMVOOHZYZIOOMT-UHFFFAOYSA-N;149.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376001;MM376001;CCC(=O)CC#CCNC;ARZCNKXELLJIMQ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376002;MM376002;CCC(F)C(CO)OC=O;STGTUWJUGFLZHF-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376003;MM376003;C=C(CC)CC#CCOC;WPSDSVHUMFOZMX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376004;MM376004;CC1(CO)CCC(C#N)C1;YOWWVFFMXOZPTN-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376005;MM376005;C=C(CN)CC#CCOC;LXGSXNMKDVFZRF-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376006;MM376006;C=CC1(O)C=CC(=CC)C1;ITMKMKPNKNDMDD-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376007;MM376007;C=C(CF)CC#CCOC;TTZQXWVJFXRIKB-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376008;MM376008;C#CC1(CO)CC=C(C)C1;IORIMZXPTAKPRK-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376009;MM376009;CCC(=O)CC#CCOC;GKDJIBMACJWEDS-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376010;MM376010;CCC(OC=O)C(C)NC;JWKCDFKFCIGFQK-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376011;MM376011;COCC#CCC(=O)CF;WXYSENDNAUHFMV-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376012;MM376012;CNC(C)C(CO)OC=O;WMAPMEAQAQOJIA-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376013;MM376013;CCCC#CCC(=N)NC;QXDJGSPLSCGZJD-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376014;MM376014;C=COC(CF)C(C)NC;FVNRIUNEKFOVJG-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376015;MM376015;CCCC#CCC(=N)NN;XKNIXYDERYYJRH-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376016;MM376016;CNC(C)C(CF)OC=O;NYXRSUYCUFDWFY-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376017;MM376017;N=C(CC#CCCO)NN;FXRRFPZSXCLBDN-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376018;MM376018;C=COC(OC)C(C)CO;SZVCEVYCEKZGKL-UHFFFAOYSA-N;146.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376019;MM376019;C=COC(OC)C(N)CN;WEVPJFRBYJFHER-UHFFFAOYSA-N;146.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376020;MM376020;N=C(CC#CCCF)NN;MDQZHZXWFDMXDS-UHFFFAOYSA-N;143.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376021;MM376021;N=C(CC#CCCN)NO;WJQJBLURAZAQEG-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376022;MM376022;C=COC(OC)C(N)CO;ASYJDVKNXBBQCV-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376023;MM376023;CCCC#CCC(=O)NC;JRJMNONZWBNQLM-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376024;MM376024;CCC(O)C(OC)OC=O;NWLVGKIOXZKKJE-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376025;MM376025;CNC(=O)CC#CCCN;RKOCCKUEXJXVAL-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376026;MM376026;C=COC(OC)C(O)CN;NBWAPKXEKUKMLN-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376027;MM376027;COC(OC=O)C(F)CO;RWXWZDBVPVKLIZ-UHFFFAOYSA-N;152.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376028;MM376028;CNC(=O)CC#CCCO;BMONOOSVUMASDI-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376029;MM376029;C=C(C)CCC1(CO)CC1;HVRKANKRWUBIHQ-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376030;MM376030;CCC(CO)CCC(C)F;GGUBOOVOCFYVCW-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376031;MM376031;C=C(F)CCC1(CO)CC1;BCXURXFCEPPVND-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376032;MM376032;CCCC#CCC(=O)NO;VVRAMVHOJLNURE-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376033;MM376033;C=COC(OC)C(C)OC;KGFDNFGJYIIVJX-UHFFFAOYSA-N;146.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376034;MM376034;NCCC#CCC(=O)NO;CCAVFUXMPLJDIR-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376035;MM376035;C=CCN(CC)C(C)CN;KJENDQROGDMUQW-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376036;MM376036;O=C(CC#CCCO)NO;YBNZAJPKMMJZKU-UHFFFAOYSA-N;143.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376037;MM376037;C#CCC(CO)C(C)CN;UYAABLIFTVWFQJ-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376038;MM376038;N#CC1(C#N)CC(C=O)N1;QIMQXRKJVZWNRC-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376039;MM376039;C#CCC(CO)C(C)CO;PZPHARUHGCPWHY-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376040;MM376040;COCC#CCC(=O)NO;DTOBBPHVJAXPHE-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376041;MM376041;C#CCC(CF)C(C)CN;TVGNMORWGZLHIX-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376042;MM376042;C=C(CC#CCCC)OC;AUEXSFBGXZZPKV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376043;MM376043;C#CCC(CC)C(N)CN;KFEJLVPYYPHFAZ-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376044;MM376044;C=C(CC#CCCN)OC;KZOHQCRLMDXPIK-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376045;MM376045;C#CCC(CN)C(N)CF;AIRVJCSQAJOEHX-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376046;MM376046;C=C(CC#CCCO)OC;NEDKGHCQOUFQSX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376047;MM376047;C#CCC(CF)C(N)CN;CKWDSKOYFDGHFR-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376048;MM376048;CCCC#CCC(=O)OC;OUKOKDKUXRSBQW-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376049;MM376049;C#CCC(CF)C(N)CF;JXJFIPWUIJTUCQ-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376050;MM376050;C=C(CC#CCNC)OC;OAKZWHRJMHKNDI-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376051;MM376051;C#CCC(CO)C(O)CC;AZELYBDBBWVCKH-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376052;MM376052;C=C(CC#CCOC)OC;KBGVEFSWVGYGCP-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376053;MM376053;C#CCC(CO)C(F)CC;MBOZUEIJXJWIJX-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376054;MM376054;COCC#CCC(=O)OC;NPLVDXOXDNPRQZ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376055;MM376055;C#CCC(CC)C(C)NC;SMAPBYSRCBPNIC-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376056;MM376056;C=CCC#CCC(=C)CC;IJCYEJLLDSRPNI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376057;MM376057;C#CCC(CO)C(C)NC;SGAIATGVXSLVNJ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376058;MM376058;C=C(CC)CC#CCC=O;NQEKJWQALTZKHT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376059;MM376059;C#CCC(CF)C(C)NC;FEUVTHOULPDKQA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376060;MM376060;C=C(CC)CC#CCC#N;YONBPPJUWQWPAI-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376061;MM376061;C#CCC(NC)C(C)CC;QJLMPEZFWYUQHU-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376062;MM376062;C=CCC#CCC(=C)CN;UCGISLSPOBKQPK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376063;MM376063;C#CCC(NC)C(C)CO;IHUPNVSHPDJWKX-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376064;MM376064;C=CCC#CCC(=C)CO;XOILICKFSXDKSZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376065;MM376065;C#CCC(NC)C(C)CF;ZEPRQLSUTGRMHN-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376066;MM376066;C=C(CO)CC#CCC=O;ODEXUENXXNNABS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376067;MM376067;C#CCC(NC)C(O)CC;OCSCCQRWDFEFMR-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376068;MM376068;C=CCC#CCC(=C)CF;SPBNWDSCTQVYJF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376069;MM376069;C#CCC(NC)C(F)CC;GJRKQWCBPNUYRG-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376070;MM376070;C=C(CF)CC#CCC=O;ITFDQQRHYJKYGI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376071;MM376071;C#CCC(OC)C(N)CO;HVDRRADTRHPAIL-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376072;MM376072;C=C(CF)CC#CCC#N;IAIBBRLTMVDNCM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376073;MM376073;C#CCC(OC)C(O)CN;TZRKCNJMHFQVFI-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376074;MM376074;C=CCC#CCC(=O)CC;YORBLBZKBBDWNT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376075;MM376075;C#CCC(OC)C(O)CO;OBIMUFWGSYQZBP-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376076;MM376076;CCC(=O)CC#CCC=O;JADXTHLYHCSWOP-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376077;MM376077;CCC(CCF)C(C)C=O;PGKADSGCQOXDRB-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376078;MM376078;CCC(=O)CC#CCC#N;HMSXLXSMOXVHJF-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376079;MM376079;C=CC(C)C(CN)CCF;SVGHZMYDZSHGSR-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376080;MM376080;C=CCC#CCC(=O)CO;SVXBOQSEYMIQRU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376081;MM376081;C=CC(C)C(CF)CCN;DPJCRPOMUSKGTD-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376082;MM376082;O=CCC#CCC(=O)CO;KNWDOROMQUFSHC-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376083;MM376083;C=CC(C)C(CF)CCO;BBPJXBVUSMAFNW-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376084;MM376084;N#CCC#CCC(=O)CO;FGNPEKXGMIWBNL-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376085;MM376085;C=CC(C)C(CF)CCF;AAJITDQHXZSEKA-UHFFFAOYSA-N;148.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376086;MM376086;C=CCC#CCC(=O)CF;CPTSHBPCFQTSTQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376087;MM376087;C=CC(N)C(CC)CCN;KYPUIBIUVYTAIV-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376088;MM376088;O=CCC#CCC(=O)CF;UNGQETGPYMOSFK-UHFFFAOYSA-N;142.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376089;MM376089;C=CC(N)C(CC)CCF;HIANFKIKLUSQKL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376090;MM376090;N#CCC#CCC(=O)CF;VNLANVIFEOAHAS-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376091;MM376091;C=CC(N)C(CN)CCC;MSWKYKTVLIPDEE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376092;MM376092;C=CCC#CCC(=N)NC;ACGLAPLVYYINOK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376093;MM376093;C=CC(N)C(CF)CCC;LPUXHQCZQHIITR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376094;MM376094;CN=C(N)CC#CCC=O;VXRCBPINTIHJHC-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376095;MM376095;C=CC(O)C(CC)CCF;MVDLRYYJFQIWJF-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376096;MM376096;C=CCC#CCC(=N)NN;DAOYONVUOAGVEP-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376097;MM376097;CCC(CCF)C(O)C#N;LSLPZSZKPRIOAL-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376098;MM376098;NC(CC#CCC=O)=NO;YNZUKFRXCDOMNN-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376099;MM376099;N#CC(O)C(CO)CCO;DAXIGCVRKNGPMV-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376100;MM376100;C=CCC#CCC(=O)NC;NEXLEIQTUDESEX-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376101;MM376101;C=CC(O)C(CF)CCF;XIYAVOCWZXPABR-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376102;MM376102;CNC(=O)CC#CCC#N;KVMNTNMNRHXEAN-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376103;MM376103;O=CC(F)C(CF)CCO;USXDDXHRUSUCIY-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376104;MM376104;C=CC(C)(CC)C1CC1O;MQFONERTMLUCDM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376105;MM376105;C=CC(C)C(CC)CNC;SRAVRDIDFZXPRL-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376106;MM376106;C=CCC#CCC(=O)NO;DKCCXUPSOFNHCI-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376107;MM376107;CCC(CNC)C(C)C=O;HAMOLQVWWYATST-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376108;MM376108;C=CCC#CCC(=C)OC;QAUUZUDISLRWAT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376109;MM376109;CCC(CNC)C(O)C=O;YGWGKLIBXHYUAY-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376110;MM376110;C=C(CC#CCC=O)OC;BQQQVRYVZQQTDH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376111;MM376111;C=CC(O)C(CN)CNC;KITMNRFTJWNJAQ-UHFFFAOYSA-N;144.22;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376112;MM376112;C=C(CC#CCC#N)OC;VOZXHOVOVKIESE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376113;MM376113;CCC(CNC)C(F)C=O;WHXBDBCJYLJWFU-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376114;MM376114;C=CCC#CCC(=O)OC;NDZCJAXYBXOUQQ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376115;MM376115;C=CC(F)C(CO)CNC;KKKYRYIYQOXWGJ-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376116;MM376116;COC(=O)CC#CCC=O;JWRNOSDSMGADKK-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376117;MM376117;C=CC(F)C(CF)CNC;XORFGNIGASMHDT-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376118;MM376118;COC(=O)CC#CCC#N;LYTKZRSLVKCMQN-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376119;MM376119;C=CC(C)C(CF)COC;YHQZHBBFZRJEHO-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376120;MM376120;C#CCC#CCC(=C)CC;QYWADLOTZAHDJN-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376121;MM376121;CCC(COC)C(O)C#N;VVNKVFIUBXZPQJ-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376122;MM376122;C#CCC#CCC(=C)CN;VQRBKXVYDWFATD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376123;MM376123;C=CC(C)C(CCC)NC;VYZZLXUQMACALO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376124;MM376124;C#CCC#CCC(=C)CO;ZLWSLKVOJCEIEP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376125;MM376125;C=CC(C)C(CCF)NC;BCAZCDCVUKOMEI-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376126;MM376126;C#CCC#CCC(=C)CF;SIHFFRZJTGEIDI-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376127;MM376127;CCCC(NC)C(C)C=O;TVLGLQHRIASQJX-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376128;MM376128;C#CCC#CCC(=O)CC;ISXYCBBHZITESG-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376129;MM376129;C=CC(N)C(CCF)NC;VSCUCIDCVRDAIG-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376130;MM376130;C#CCC#CCC(=O)CF;JXDSPVFKYXSGAR-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376131;MM376131;C=CC(O)C(CCN)NC;OUSPJRHZSCQGOS-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376132;MM376132;C#CCC#CCC(=N)NC;RQULHDOSVKNHTE-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376133;MM376133;C=CC(F)C(CCF)NC;UBLNOHXTQIZKQV-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376134;MM376134;C#CCC#CCC(=N)NN;DWNJUROKHOYMAO-UHFFFAOYSA-N;135.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376135;MM376135;C#CCC#CCC(=O)NC;CDVHBIJGQRJDDB-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376136;MM376136;C=CC(C)C(CNC)NC;UAXGMRQMOAXTIF-UHFFFAOYSA-N;142.25;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376137;MM376137;C#CCC#CCC(=C)OC;NQACZQUMEAIFCW-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376138;MM376138;CNC(COC)C(F)C#N;HURCIVSIZQAVPI-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376139;MM376139;C#CCC#CCC(=O)OC;KZKOWFGKVHJTJY-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376140;MM376140;COC(CCO)C(O)C#N;KJSVGYYEOKZEDV-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376141;MM376141;C=CC(=C)CC#CCCC;HUGLTRXWQFIFIZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376142;MM376142;COC(CCO)C(F)C=O;PHIRMWVDYQJFKD-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376143;MM376143;C=CC(=C)CC#CCCN;DKQPSCVLJZWYRF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376144;MM376144;C=CC(N)C(CNC)OC;ATZLYBNSLLWUGF-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376145;MM376145;C=CC(=C)CC#CCCO;YUTXKYPKSPTQRW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376146;MM376146;CNCC(OC)C(F)C#N;FGMYKNKSISJZQD-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376147;MM376147;C=C(C=O)CC#CCCC;ORGGYGBNOXALDD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376148;MM376148;COCC(OC)C(O)C=O;CMKSKJBKHWDBND-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376149;MM376149;C=C(C#N)CC#CCCC;MUTFCNMFJUBCSQ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376150;MM376150;C=CC(F)C(COC)OC;PKOQBQBLRORLTI-UHFFFAOYSA-N;148.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376151;MM376151;C=C(C=O)CC#CCCF;CNUIMFCNGZPQOQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376152;MM376152;C=CC(C)C(CC)NCC;LHIQUIFOSLNSQZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376153;MM376153;C=C(C#N)CC#CCCF;VJHNZFHPBJZSBN-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376154;MM376154;CCNC(CC)C(C)C=O;PWBVJQYONAGVTM-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376155;MM376155;C=CC(=O)CC#CCCC;WNQMURPWYWIFTO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376156;MM376156;C=CC(C)C(CF)NCC;DMCCDZPVJDRPLS-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376157;MM376157;C=CC(=O)CC#CCCO;XYWBARFQBWRYCP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376158;MM376158;CCNC(CF)C(C)C=O;HIWRWQJRCYRNFK-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376159;MM376159;C=CC(=O)CC#CCCF;YMICCAORXQVDJY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376160;MM376160;C=CC(N)C(CC)NCC;USZMBAOXDPXNLT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376161;MM376161;CCCC#CCC(=O)C=O;BVONIJFYARCWSA-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376162;MM376162;C=CC(N)C(CO)NCC;NPQUDNSIAIMCOF-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376163;MM376163;CCCC#CCC(=O)C#N;QUAXRUWJIYPSRI-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376164;MM376164;C=CC(C)C(CF)OCC;VRKYIZAOAULCRV-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376165;MM376165;C=CC(=C)CC#CCNC;WOOAKMDVDAKOEE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376166;MM376166;CCOC(CC)C(O)C#N;CNFBCDGXPYDQEN-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376167;MM376167;C=C(C#N)CC#CCOC;WEQFARGCJZKOLK-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376168;MM376168;C=CC(O)C(CO)OCC;ZBEWGZVYPICIDY-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376169;MM376169;C=CC(=O)CC#CCOC;VNBLKAXAXBOQAL-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376170;MM376170;CCOC(OC)C(C)C=O;OMSIUTOHHLAFLR-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376171;MM376171;C=CCC#CCC(=C)C=C;AKIVNZSIHOBFJB-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376172;MM376172;CCOC(OC)C(F)C#N;XAPSSUSRIGKLEB-UHFFFAOYSA-N;147.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376173;MM376173;C=CC(=C)CC#CCC=O;OOTALKMSELDSQS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376174;MM376174;CCC(CCN)N(C)C=N;LUCUYWUQUOTGKH-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376175;MM376175;C=CC(=C)CC#CCC#N;IFLVUODFZRIWFD-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376176;MM376176;CCCC(CN)N(C)C=O;BCWDFBAAHWOORV-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376177;MM376177;C=CCC#CCC(=C)C=O;JGSCHSYZIJGDPO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376178;MM376178;CN(C=N)C(CO)CCN;SRIDVVGYSCZTIQ-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376179;MM376179;C=CCC#CCC(=C)C#N;KCKWRLPWXRPVNA-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376180;MM376180;N=CN(N)C(CF)CCF;PLKAKESGDDNRKO-UHFFFAOYSA-N;151.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376181;MM376181;C=C(C=O)CC#CCC=O;RCPCAWFJAYXUPS-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376182;MM376182;NN(C=O)C(CF)CCF;ORGKRCYVTXEKDS-UHFFFAOYSA-N;152.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376183;MM376183;C=C(C=O)CC#CCC#N;MBNRORDGELXXMB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376184;MM376184;COCC(CF)N(C)C=N;ZQFBSOYIXMZTKA-UHFFFAOYSA-N;148.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376185;MM376185;C=C(C#N)CC#CCC=O;OZFNCYBFCNQAJY-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376186;MM376186;COCC(CF)N(C)C=O;BVAJPRQJUNIVER-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376187;MM376187;C=CCC#CCC(=O)C=C;XZXSYLQKXMEYEO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376188;MM376188;COCC(CO)N(N)C=N;LTVTUXUCTOSVIX-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376189;MM376189;C=CC(=O)CC#CCC=O;KMRKQLMKSSSLAI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376190;MM376190;CC(C)(CO)C1CC1C#N;KLDUOSPHGQARJU-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376191;MM376191;C=CC(=O)CC#CCC#N;SWMHCGGHIKQBOP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376192;MM376192;CC1(CO)CC1CC=NN;JAYJTPPJLBXLAT-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376193;MM376193;C=CCC#CCC(=O)C=O;RJSZYROOJIQYNN-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376194;MM376194;CNN=C(CF)N(C)OC;HMSSHRAHRKHOPW-UHFFFAOYSA-N;149.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376195;MM376195;C=CCC#CCC(=O)C#N;XDLMXNISYHAFAC-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376196;MM376196;C=NN(C)C(CO)CNC;MRQDNCBETUDDPL-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376197;MM376197;O=CCC#CCC(=O)C=O;BLLPSKRSLBGXPP-UHFFFAOYSA-N;138.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376198;MM376198;C=NN(C)C(CF)CNC;LZGOGCONDRCKMB-UHFFFAOYSA-N;147.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376199;MM376199;N#CCC#CCC(=O)C=O;GGCZGYHDDWTTMF-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376200;MM376200;C=CC(C)N(CC)CCN;KZZVQCKSBUYDBP-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376201;MM376201;N#CC(=O)CC#CCC=O;VNVQDHDWWKRECH-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376202;MM376202;C=NN=CNN(C=O)C=O;GKFHKVAEMYVOFP-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376203;MM376203;C#CCC#CCC(=C)C=C;IAEITEWPDCISCB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376204;MM376204;CCN(CCF)N(C)C=N;DXYXHJXQTSVBQI-UHFFFAOYSA-N;147.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376205;MM376205;C#CCC#CCC(=C)C=O;GHTQGCVXNALVQT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376206;MM376206;CCN(CCF)N(C)C=O;PDWGXNQIYCXCEW-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376207;MM376207;C#CCC#CCC(=C)C#N;ZYDYUJYROXWWID-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376208;MM376208;C=CCC(CC)C(C)C=O;WYHDQCGDBWEWKS-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376209;MM376209;C#CCC#CCC(=O)C=C;LXYHLXJXXLPUCD-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376210;MM376210;C=CCC(CN)C(C)C=C;IYXQIJJCDZIRQE-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376211;MM376211;C#CCC#CCC(=O)C=O;ZUVVCROXWCTAMZ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376212;MM376212;CC=CCCC1(CO)CC1;LLAXUUWCKKBFRF-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376213;MM376213;C#CC(=C)CC#CCCC;MHFNOPUKLQKYSO-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376214;MM376214;CC(C#N)C(CO)CC=O;NSMKEJYXBAJTRU-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376215;MM376215;C#CC(=C)CC#CCCN;VNVBDENNFKLSCB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376216;MM376216;C=CCC(CF)C(C)C=C;XQCNYRVJKMKOJS-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376217;MM376217;C#CC(=C)CC#CCCO;VILHHWJFEDREBL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376218;MM376218;C=CC(C)C(CF)CC=O;OBFBZJYAJYGYEZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376219;MM376219;C#CC(=C)CC#CCCF;KZBJKAANHCPJOA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376220;MM376220;C=CCC(CF)C(C)C=O;BXQSDUSWVZCUQQ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376221;MM376221;C#CC(=O)CC#CCCC;RKMIVMRVPWYHDZ-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376222;MM376222;C=CCC(CN)C(N)C=C;SPVTXBHXLGKLOV-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376223;MM376223;C#CC(=C)CC#CCNC;LFIQRCRIRJBPOF-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376224;MM376224;OCC1(CCC=CF)CC1;ZDWYKRGALZOVDF-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376225;MM376225;C#CC(=C)CC#CCOC;HMLSPPMJXZCFAQ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376226;MM376226;CCC(CC#N)C(O)C=O;IGMDHLFVBCYQLZ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376227;MM376227;C#CC(=O)CC#CCOC;OQRQDLJHSOOPFI-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376228;MM376228;N#CC(O)C(CO)CC=O;YYCVPFRGIBJCSD-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376229;MM376229;C#CC(=C)CC#CCC=C;BAOFEJNFPQVOAE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376230;MM376230;N#CC(O)C(CF)CC=O;JKWIAUIXJIRWOD-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376231;MM376231;C#CC(=C)CC#CCC=O;VTCDECYBZSWAPT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376232;MM376232;N#CCC(CF)C(O)C=O;JNESLWYPMXIYCI-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376233;MM376233;C#CC(=C)CC#CCC#N;PODTVNPAMVCOTM-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376234;MM376234;N#CC(F)C(CF)CC=O;FXMWYYXNMQTKOO-UHFFFAOYSA-N;147.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376235;MM376235;C#CC(=O)CC#CCC=C;AMMNRECUQJGHKL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376236;MM376236;C=CCC(NC)C(C)C=C;HJCCGZPXTXZPOZ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376237;MM376237;C#CC(=O)CC#CCC=O;RYPFCFUKCMUJRJ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376238;MM376238;C=CC(C)C(CC=O)NC;KCHLEDMWZCNRPP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376239;MM376239;C#CC(=O)CC#CCC#N;FUBUEGIMJKAFEF-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376240;MM376240;C=CCC(NC)C(C)C=O;SYDVZPXPQDAOEF-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376241;MM376241;C#CCC#CCC(=C)C#C;UZHMMUMWKGIWNA-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376242;MM376242;NN=CCCC1(CO)CC1;OBRGKLSJADPUJO-UHFFFAOYSA-N;142.2;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376243;MM376243;C#CCC#CCC(=O)C#C;QCGJGWAGDYFFFM-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376244;MM376244;C=CC(F)C(CC=O)NC;PEDPVSLRKVGBGD-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376245;MM376245;CC=CC#CCC(C)CC;ZGUGYQRDZOEDMO-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376246;MM376246;COC(CC#N)C(C)C=O;UUNARMKMNZILCJ-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376247;MM376247;CC=CC#CCC(C)CN;RFKICOUUARVGJW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376248;MM376248;COC(CC#N)C(O)C=O;SZSPQMUTOXNTAK-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376249;MM376249;C#CC(=C)C(C)C(C)CO;OFEAYIWHOQDIPX-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376250;MM376250;C=CC(C)C(CN)NC=N;BMLOXSDIRRYTAX-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376251;MM376251;CC=CC#CCC(N)CC;PJQABTPHPSHPCO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376252;MM376252;C=CC(C)C(CN)NC=O;YAMPMYJYDOVHQF-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376253;MM376253;CC=CC#CCC(N)CN;VIJJSJNVRSJUIS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376254;MM376254;C=CC(C)C(CO)NC=O;ZXTIGKQDTKPZPH-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376255;MM376255;CC=CC#CCC(N)CO;AGPJGFFUNZUBOU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376256;MM376256;CC(C=O)C(CO)N=CN;GZJVPAXZPWCZNL-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376257;MM376257;COCCC(C)C(C)CO;QSDWBXTWILBOAH-UHFFFAOYSA-N;146.23;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376258;MM376258;CC(C=O)C(CF)NC=O;LTJMSRZVIQWYKR-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376259;MM376259;CC=CC#CCC(O)CF;QPZVHUZIDNWOHH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376260;MM376260;C=CC(N)C(CC)NC=N;CUESQDOXPCMTHC-UHFFFAOYSA-N;141.22;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376261;MM376261;CC=CC#CCC(F)CC;XMRUQZABHZDOMF-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376262;MM376262;CCC(N=CN)C(O)C=O;QXBRORIOBZMLOG-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376263;MM376263;CC=CC#CCC(F)CO;FUUVITPEUBIRRD-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376264;MM376264;CCC(NC=N)C(O)C#N;BKVGJEYJAKGFTJ-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376265;MM376265;CCC(C)CC#CC=NN;NQOUEXQALOJVKP-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376266;MM376266;N#CC(O)C(CO)NC=N;QGWHBUPLVKTXGS-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376267;MM376267;C#CCNN=CC(=O)C#C;OTQUZHPSOOLTJV-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376268;MM376268;N#CC(F)C(CF)NC=N;MHPCHBKSLUZLGV-UHFFFAOYSA-N;147.13;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376269;MM376269;CC(CF)CC#CC=NO;NXENWXOGWMTHTD-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376270;MM376270;CCN=C1C=NC(NN)=N1;KQBSXQOMZQEGFH-UHFFFAOYSA-N;139.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376271;MM376271;NC(CO)CC#CC=NO;ZYRGAFRAENFYRH-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376272;MM376272;C#CCC1=C(C)C(O)CC1;UXYXBKYEYIFHIF-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376273;MM376273;CNC(=NOC)N(N)C=O;ZFENZWNCUCFSJP-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376274;MM376274;CC1C(CO)C(C)C1CO;DKXKNFCBGMGMJO-UHFFFAOYSA-N;144.21;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376275;MM376275;C=CC1CC1C(=C)C(C)O;DPNAGTBJGDYOLH-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376276;MM376276;C=COC(CN)C(C)C=C;LZEJWFKDZGOZEH-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376277;MM376277;Cc1noc(=N)nc1NN;GJHVLEBFSXPUFK-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376278;MM376278;C=CC(C)C(CO)OC=O;FDWZYNDIHUBDDZ-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376279;MM376279;CC=CC#CCC(C)NC;MPIVGZXOQHZWIV-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376280;MM376280;CC(C=O)C(CF)OC=O;LGEJDCXRMRYMQB-UHFFFAOYSA-N;148.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376281;MM376281;CC=CC#CCC(C)OC;PSGBVCDNRQTYPZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376282;MM376282;CCC(OC=O)C(O)C=O;OVGGNTNPEGFZDS-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376283;MM376283;COC(C)CC#CC=NN;QESUEPGLBBWUOI-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376284;MM376284;C=COC(CO)C(O)C=O;QLZWHVBHAHIROM-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376285;MM376285;COC(C)CC#CC=NO;UCYHNEWUTBGUAO-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376286;MM376286;N#CC(O)C(CO)OC=O;CATCQFMWEDSMLJ-UHFFFAOYSA-N;145.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376287;MM376287;CC=CC#CCN(C)CC;MBWHXFVUCHGFDW-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376288;MM376288;C=CC(O)C(CF)OC=O;UTFSBJSENCUMGZ-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376289;MM376289;C=CC(C)CC#CC=CC;UVMRAZSNVQKTLZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376290;MM376290;C=COC(CF)C(O)C=O;OYJZCPXMYRMFIU-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376291;MM376291;CC=CC#CCC(C)C=O;HACZDACRIKBXRZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376292;MM376292;C=CC(C)C(CN)ON=C;OZIVLRHDGGPIKX-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376293;MM376293;CC=CC#CCC(C)C#N;SFMSZWJMHQZXHJ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376294;MM376294;N=C1N=CNC1=N;XLPKCVVPFOEWSE-UHFFFAOYSA-N;96.09;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376295;MM376295;C=CC(N)CC#CC=CC;SSNPFTJODXOTQP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376296;MM376296;C=NOC(CF)C(O)C#N;FRVIMTNKPGOSJP-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376297;MM376297;C=CC(O)CC#CC=CC;RZUZIAUXWBOAPA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376298;MM376298;C=COC(OC)C(C)C=O;BOAPGIBBCDHWLN-UHFFFAOYSA-N;144.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376299;MM376299;C=CC(O)CC#CC=CF;XYUBSTHDRIHSTE-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376300;MM376300;C=COC(OC)C(O)C=C;MXQRFXFOUMDAPA-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376301;MM376301;CC=CC#CCC(O)C=O;QMCYLMMDNFYKOI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376302;MM376302;COC(OC=O)C(O)C=O;TZGLAMQDSFLHTR-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376303;MM376303;CC=CC#CCC(O)C#N;IPXQZXXYLAJTOM-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376304;MM376304;COC(OC=O)C(O)C#N;RYRKZFNBGFEWOC-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376305;MM376305;O=CC(O)CC#CC=CF;QGWISEMRWCOLJL-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376306;MM376306;CC1=CC=CC1(C)O;FOJIAAVBKUPQRX-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376307;MM376307;C=NOC(OC)C(O)C#N;OLUMHLQBFTXSCR-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376308;MM376308;C=CC(F)CC#CC=CC;ZHKITVMQNZGLEP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376309;MM376309;C=CCC(CF)N(C)C=N;WFVSNIVRIGXBMM-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376310;MM376310;CC=CC#CCC(F)C=O;QLBWULZAALCASB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376311;MM376311;C=CCC(CF)N(C)C=O;ATBLLYZOLWUSCY-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376312;MM376312;CC=CC#CCC(F)C#N;CEMMOMRGGKDLGH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376313;MM376313;C=CCC(CC)N(N)C=O;NAAKMJSSDTXVQO-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376314;MM376314;N#CC(F)CC#CC=CF;DDXNIRGMFNRMEI-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376315;MM376315;C=CCC(CF)N(N)C=O;VUDZZEUGZLHUMR-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376316;MM376316;C=CC(C)CC#CC=NN;SEGAVIYETCVKQY-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376317;MM376317;C=CCC(CN)N(C)N=C;QOTUAXBXZIDDMC-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376318;MM376318;CC(C#N)CC#CC=NO;PRIJATIJTOGDSI-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376319;MM376319;CCC1(O)C=CC=C1;QAQXEAGFNCYGSY-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376320;MM376320;CCCCCC(CC)CO;QNJAZNNWHWYOEO-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376321;MM376321;C#CC(C=C)C(C)O;HNUPDPRVUBFIOY-UHFFFAOYSA-N;110.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376322;MM376322;C=CC(F)CC#CC=NO;SPSQPBHGVICDBN-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376323;MM376323;CCN(NC=O)C(C)C#N;GPOHQKMSQZXMIY-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376324;MM376324;CC=CC#CCN(C)C=N;OJOPETTVFXINRP-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376325;MM376325;C=CCN(CC)N(C)C=N;UJYUKYQRDWOSTI-UHFFFAOYSA-N;141.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376326;MM376326;CN(C=N)CC#CC=CF;PFQGIMNQOQRQGJ-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376327;MM376327;C=C(F)C(=O)C1CN1;PQDYLWLWUBJBST-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376328;MM376328;CC=CC#CCN(C)C=O;WZXAMMSJQLPBTE-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376329;MM376329;C#CCC(CO)C(C)C=O;JSCMPDIJKJJJBO-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376330;MM376330;CN(C=O)CC#CC=CF;WMHQFUAWRAOGKG-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376331;MM376331;C#CCC(CO)C(C)C#N;UZLNZTBNMOQDSU-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376332;MM376332;CC=CC#CCN(N)C=N;ZLWRDGKUEYARAR-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376333;MM376333;C#CCC(CF)C(C)C=C;RQZSBGVALKFCGV-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376334;MM376334;CC=CC#CCN(N)C=O;FOSNLBQNLBECGT-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376335;MM376335;C#CCC(CN)C(N)C=C;OJDVLJPPXQTXRP-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376336;MM376336;N=CN(N)CC#CC=NN;AWHHOLDDANJIMX-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376337;MM376337;C#CCC(CF)C(N)C=C;DXDQOTGUUBISMU-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376338;MM376338;C=NN(C)CC#CC=CC;HPLHBDHWAOBLGE-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376339;MM376339;C#CCC(CO)C(O)C#N;BZZNDLJTJWPNDE-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376340;MM376340;C=NN(C)CC#CC=CF;DWJGRKJEWBIVFG-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376341;MM376341;C#CCC(NC)C(C)C=C;ZZMFSDCHNGJOBM-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376342;MM376342;C#CC(C)CC#CC=CC;LNGHCZFBAYMWCV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376343;MM376343;C#CCC(NC)C(C)C=O;MDLDVVAKMIMSCX-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376344;MM376344;C#CC(C)CC#CC=CF;LZOXZXZRBLMUFO-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376345;MM376345;C#CCC(OC)C(C)C#N;AIAVYUIZVQLRBM-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376346;MM376346;C#CC(N)CC#CC=CC;VFEHIYKDSOAGEO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376347;MM376347;C#CCC(OC)C(N)C=C;GCNYIDXKRNNMGA-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376348;MM376348;C#CC(O)CC#CC=CC;HEWFIUTVDJVNGD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376349;MM376349;C#CC(C)C(CO)CCF;ATPDIBZXJRAAFJ-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376350;MM376350;C#CC(F)CC#CC=CC;CEQFTIDQJKHXOF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376351;MM376351;C#CC(C)C(CF)CCN;IRKBCIPNQIILSJ-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376352;MM376352;C#CC(C)CC#CC=NN;WUBRATBJLOMKOV-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376353;MM376353;C#CC(C)C(CF)CCO;YYBCEEYRPPUEKJ-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376354;MM376354;C#CC(C)CC#CC=NO;DLZOQGFGPLBFFA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376355;MM376355;C#CC(C)C(CF)CCF;MBZRFHMUNNNORI-UHFFFAOYSA-N;146.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376356;MM376356;CCC(CO)CCCOC;LMOXWKQRSHILGC-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376357;MM376357;C#CC(N)C(CC)CCO;RKIYPVOTCCRXCH-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376358;MM376358;C=C(CC)CC#CC=CC;WWWOQRZZVPBWPE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376359;MM376359;C#CC(N)C(CC)CCF;NQPYWIFQJUNEEH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376360;MM376360;C=C(CC)CC#CC=CF;DHUMLGSNRHDYBI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376361;MM376361;C#CC(N)C(CN)CCC;QOIIKJFYBCHFOB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376362;MM376362;C#CC(N)C(CF)CCC;CBQORGYYSDATEJ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376363;MM376363;C#CC(N)C(CF)CCO;UPEHUXLAXQUEGV-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376364;MM376364;C#CC(O)C(CC)CCN;PMAKYUBFLBYSSH-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376365;MM376365;C#CC(O)C(CC)CCO;PVOCLNVVBPBPIP-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376366;MM376366;C#CC(O)C(CN)CCC;QYHNDGNAGDEGRM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376367;MM376367;C#CC(O)C(CN)CCF;VZCDZEMIHSVOSX-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376368;MM376368;C#CC(O)C(CO)CCC;OLOSOYHHBAMXPX-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376369;MM376369;C#CC(F)C(CC)CCF;ORVQDIIAZJVLBT-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376370;MM376370;C#CC(C)C(CC)CNC;SUGBYUBNIPRDSY-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376371;MM376371;C#CC(C)C(CF)CNC;IEQURSAIIUQTBH-UHFFFAOYSA-N;143.21;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376372;MM376372;C#CC(O)C(CF)CNC;VFWRFQSHFLUGOC-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376373;MM376373;C#CC(F)C(CC)CNC;CJPPBXNRTOPFTE-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376374;MM376374;C#CC(N)C(CO)COC;CERUBKJERFMFAC-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376375;MM376375;C#CC(O)C(CO)COC;AYACNAAUHLBMFX-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376376;MM376376;C#CC(F)C(CN)COC;HEVXGNHCKUAERA-UHFFFAOYSA-N;145.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376377;MM376377;C#CC(C)C(CCF)NC;HXEOQZKCICLZOF-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376378;MM376378;C#CC(O)C(CCC)NC;MHEJTHWNUMQUGP-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376379;MM376379;C#CC(O)C(CCF)NC;OLDJKTOOHAJEEJ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376380;MM376380;C#CC(F)C(CCC)NC;FNOHOMSWSDWIKV-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376381;MM376381;C#CC(O)C(COC)NC;AEHGOCMCGMHUCY-UHFFFAOYSA-N;143.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376382;MM376382;C#CC(O)C(CCO)OC;LDQVYHSNFNBVKC-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376383;MM376383;C#CC(F)C(CCN)OC;RTHXIHGDAKNFGC-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376384;MM376384;C#CC(O)C(CNC)OC;QUANWMIMIVPHIL-UHFFFAOYSA-N;143.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376385;MM376385;C#CC(C)C(COC)OC;ZMVHIHOAEMYOPB-UHFFFAOYSA-N;142.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376386;MM376386;C#CC(N)C(COC)OC;YWNCSKAGXKQDIE-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376387;MM376387;C#CC(O)C(COC)OC;KQLXYEVFLCYNRE-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376388;MM376388;C#CC(F)C(COC)OC;FWUUDPACOYSEOM-UHFFFAOYSA-N;146.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376389;MM376389;C#CC(C)C(CC)NCC;VTCMXKDYNUGSME-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376390;MM376390;C#CC(C)C(CF)NCC;SWKGNYJFFWYZDR-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376391;MM376391;C#CC(N)C(CF)NCC;JWLPONVODQVLIC-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376392;MM376392;C#CC(O)C(CO)NCC;PHPWUGKJNHQTPR-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376393;MM376393;C#CC(C)C(CN)OCC;HUSRAJMKDZYTOE-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376394;MM376394;C#CC(O)C(CO)OCC;TYDDEDNIKRMRBN-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376395;MM376395;C#CC(C)C(OC)OCC;YFFGMZDKXFHWRM-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376396;MM376396;C#CC(C)C(CC)CC=O;UXHZTQSERNGUBC-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376397;MM376397;CC(C)CC1CC1(C)O;VBPARHXCYXGRJA-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376398;MM376398;C#CC(C)C(CF)CC=C;ONGQMAAEJNEPHO-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376399;MM376399;C#CC(O)C(CC)CC=C;WLSWOVCELAKYEC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376400;MM376400;C#CC(O)C(CC)CC=O;UXYMWVMZXWMZKC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376401;MM376401;C#CC(O)C(CF)CC=C;OLMNRQUTKWVANE-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376402;MM376402;C#CC(F)C(CN)CC=C;DUYMNQBHTFXJSR-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376403;MM376403;C#CC(F)C(CF)CC=O;XQHNOVHLPJCHCT-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376404;MM376404;C#CC(C)C(CC=C)NC;KMXYNSIFJUTEFP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376405;MM376405;C#CC(C)C(CC#N)OC;LCVWOVIILSZGOK-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376406;MM376406;C#CC(N)C(CC=C)OC;WIAYRBDMNMGFCP-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376407;MM376407;C#CC(F)C(CC#N)OC;VPIFPNXMGWOYQY-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376408;MM376408;C#CC(O)C(CC)NC=O;KWSZCVBKDYYKCF-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376409;MM376409;C#CC(O)C(CO)NC=O;UZZAPCRNWATWCV-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376410;MM376410;C#CC(F)C(CO)NC=O;WPIQUCUZJOAWKT-UHFFFAOYSA-N;145.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376411;MM376411;C#CC(F)C(CF)NC=O;SWTHTKAFEQWFAW-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376412;MM376412;C#CC(C)C(CC)NN=C;DRLCBVKTJDNLKZ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376413;MM376413;C#CC(C)C(CN)NN=C;IHJWQHDRKBHFRD-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376414;MM376414;C#CC(N)C(CN)NN=C;GNVIUGLEIUOEPA-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376415;MM376415;C=CC(C)C(=C)C(C)O;ZBMGOBLRQLSATO-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376416;MM376416;C=CC(C)=C(C)C(C)O;OTUQKTYPOQBIGF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376417;MM376417;C#CC(F)C(CN)NN=C;PKEFCWNPSUNYLY-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376418;MM376418;C#CC(C)C(CF)OC=O;LRSCPSKNFLIXEE-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376419;MM376419;CC(O)C(C)C=CC#N;GJBCJNYHFYACQB-UHFFFAOYSA-N;125.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376420;MM376420;CCC(O)CC=CC#N;HOXHKGZQIPUCKQ-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376421;MM376421;C#CC(O)C(CN)ON=C;HGOWVWXCASLNHM-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376422;MM376422;CC(O)C1CC(C=O)C1;QMLKPSHDSYXCBX-UHFFFAOYSA-N;128.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376423;MM376423;Nc1c(F)cn(N)c1F;UVNLHSQCKLZNLB-UHFFFAOYSA-N;133.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376424;MM376424;C#CC(C)C(OC)OC=C;GJQYNDYNJKJECV-UHFFFAOYSA-N;140.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376425;MM376425;C#CC(F)C(OC)OC=C;RKFPQFFHNQFKND-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376426;MM376426;C#CC(C)N(CC)NC=N;WHNYLTXMXDGAHS-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376427;MM376427;C#CCC(CO)C(N)C#C;SQXOKGOMHYVWPZ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376428;MM376428;C#CCC(CF)C(O)C#C;HKOSJOPKZDVWRP-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376429;MM376429;C#CCC(NC)C(C)C#C;CLFMASRGBSUEGC-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376430;MM376430;C=CC(CCF)C(C)CC;JFAZLRDBGBKYNY-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376431;MM376431;C=CC(CCC)C(C)CN;XJWUHMARFROXNN-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376432;MM376432;C=CC(CCF)C(C)CN;YZCFKXVMGGLNPC-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376433;MM376433;C=CC(CCC)C(C)CF;NBUJPLBVBSBNGT-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376434;MM376434;CCCC(C=O)C(C)CC;ZRFOJQVEAHHZHJ-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376435;MM376435;CCC(C)C(C=O)CCF;ZUTPXQGCHOQXKE-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376436;MM376436;CCCC(C=O)C(C)CO;YJPUVRYSOBHKMY-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376437;MM376437;CCCC(C#N)C(C)CO;UOOJXFZKVBSWBV-UHFFFAOYSA-N;141.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376438;MM376438;CC(CO)C(C#N)CCF;PJIOAMHSZLBJSW-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376439;MM376439;CCCC(C=O)C(C)CF;VJVRNJHXTBZTDX-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376440;MM376440;CC(CF)C(C=O)CCF;GWBAWNDZQLOWKO-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376441;MM376441;C=CC(CCC)C(N)CC;OIJPJXUKGYYMDN-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376442;MM376442;C=CC(CCN)C(N)CC;DDKOURNNSPODGD-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376443;MM376443;C=CC(CCN)C(N)CN;DABADOCDXCWTMW-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376444;MM376444;C=CC(CCC)C(N)CO;WRPQMYMFRWOCJR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376445;MM376445;C=CC(CCC)C(N)CF;ODJKTSBHOVPIET-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376446;MM376446;C=CC(CCC)C(O)CN;IKNQNILERMJUHR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376447;MM376447;C=CC(CCF)C(O)CN;BHTCSEQYJFZZBJ-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376448;MM376448;C=CC(CCN)C(O)CO;PFOWVJYIDPSPIA-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376449;MM376449;C=CC(CCN)C(O)CF;OAHHOXARLWYJKL-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376450;MM376450;CCCC(C=O)C(O)CC;PWROURNJPHEKRZ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376451;MM376451;CCCC(C=O)C(O)CO;GYCPUPYNTJUHQM-UHFFFAOYSA-N;146.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376452;MM376452;CCCC(C=O)C(O)CF;OUXJSRDDTPBKPS-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376453;MM376453;N#CC(CCO)C(O)CF;AEJUOKRZJHXRHU-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376454;MM376454;C=CC(CCN)C(F)CN;AAPROCWKHWIZOI-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376455;MM376455;CCC(F)C(C=O)CCF;JRJBQBZSVPTAAE-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376456;MM376456;N#CC(CCO)C(F)CO;AGVQIKYJSRQTMP-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376457;MM376457;C=CC(CNC)C(C)CC;SFDDJHDXPJNDIY-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376458;MM376458;C=CC(CNC)C(N)CN;CYGGVSOVABIEAH-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376459;MM376459;C=CC(CNC)C(N)CF;BZQHAFHMPKDJBZ-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376460;MM376460;C=CC(CNC)C(O)CC;VQUVHNGXLIJDFH-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376461;MM376461;C=CC(CNC)C(O)CO;MXEBHXFQYQPHNV-UHFFFAOYSA-N;145.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376462;MM376462;C=CC(CNC)C(O)CF;GIULOHZSJVHLNZ-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376463;MM376463;C=CC(CNC)C(F)CO;HVVZABCMQZLYSW-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376464;MM376464;C=CC(CNC)C(F)CF;QHZRKMQZVLEEBZ-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376465;MM376465;C=CC(COC)C(C)CN;ADTFLVOWNICQQQ-UHFFFAOYSA-N;143.23;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376466;MM376466;C=CC(COC)C(C)CF;CCYAWTKDWCZMEA-UHFFFAOYSA-N;146.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376467;MM376467;C=CC(COC)C(N)CO;YIZGESATPQUGEB-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376468;MM376468;C=CC(COC)C(N)CF;LDZTWPYIAMGYAC-UHFFFAOYSA-N;147.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376469;MM376469;C=CC(COC)C(O)CN;OMLSGEGTOLFKRY-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376470;MM376470;C=CC(COC)C(O)CO;SAVWVGQHTIWJPM-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376471;MM376471;COCC(C#N)C(O)CO;WFMUAGRHPGMRPJ-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376472;MM376472;COCC(C#N)C(O)CF;XIPIVCLJDCFTBJ-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376473;MM376473;COCC(C#N)C(F)CF;BYQDHZVVSGREON-UHFFFAOYSA-N;149.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376474;MM376474;C=CC(CCC)C(C)NC;JMICNCUPMALNCE-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376475;MM376475;CCCC(C=O)C(C)NC;QCFIERPAMVXPHI-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376476;MM376476;C=CC(COC)C(C)NC;BXIZJSJGXVOSOC-UHFFFAOYSA-N;143.23;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376477;MM376477;C=CC(CCN)C(C)OC;HCYBENNQNSOTRJ-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376478;MM376478;COC(C)C(C#N)CCF;KMMLCTPEJUFEME-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376479;MM376479;C=CC(COC)C(C)OC;QUVRHDQXFJTTNT-UHFFFAOYSA-N;144.21;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376480;MM376480;C=CC(NCC)C(C)CO;OMGOWKYTFWADIW-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376481;MM376481;CCNC(C=O)C(C)CC;CEFZHFBCRKQRGG-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376482;MM376482;C#CCc1c[nH]c(N)c1;MWFRSTBQUQSYBT-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376483;MM376483;C=CC(NCC)C(N)CC;FTTZSUJVTKHXGC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376484;MM376484;C=CC(NCC)C(N)CN;RDXJOUGYSGBFLK-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376485;MM376485;C=CC(NCC)C(O)CN;JWRBBMMIKIVYQV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376486;MM376486;C#CCc1nc(N)co1;RQBFFRBFXUNHSC-UHFFFAOYSA-N;122.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376487;MM376487;CCNC(C=O)C(C)NC;LYRLLWKSWRCXPV-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376488;MM376488;C=CC(NCC)C(C)OC;PLRBLIXTLUEGNP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376489;MM376489;CCOC(C#N)C(O)CC;XCZNXJQMFOSFRG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376490;MM376490;CCOC(C#N)C(O)CO;QSRICKLIIJFZJE-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376491;MM376491;CCOC(C#N)C(C)OC;KYDXELFJKSMDFC-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376492;MM376492;CCN(C)C(C=O)CNC;HKYUVIHIEGBMNC-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376493;MM376493;CCC(C)N(C=N)CCN;PAWQTRKRQDXQSK-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376494;MM376494;CCCN(C=N)C(C)CF;NYLIHBBJUMKAEX-UHFFFAOYSA-N;146.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376495;MM376495;CC1(O)CC1CC1CC1;SVWUCVUKAVOCJW-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376496;MM376496;C=NN(CCO)C(C)CN;FAQAXNZKJQYTHH-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376497;MM376497;CCN(C)N(C=O)CCF;ZUULKTXFXANLGI-UHFFFAOYSA-N;148.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376498;MM376498;C=CC(CC=O)C(C)CC;VDEVELUTQMLYQG-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376499;MM376499;C=CCC(C=C)C(C)CN;SUPDORNGARBLBS-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376500;MM376500;C#CCC1NC1C(C)=O;XVBVONLOXNHTCA-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376501;MM376501;C#CC(C#N)NCC=O;ZQPFGLJGFIJONV-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376502;MM376502;C=CCC(C=C)C(C)CF;OTUIMXSDGQJGNR-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376503;MM376503;C=CC(CC=O)C(C)CF;DRCWFMVUGDEWLZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376504;MM376504;C=CCC(C=O)C(C)CC;MWQLKKBNYHRVHR-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376505;MM376505;C=CCC(C=O)C(C)CO;FIBZWLWLPVLVJY-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376506;MM376506;C=CCC(C#N)C(C)CO;UQTXYTPULTWWPY-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376507;MM376507;C=CCC(C=C)C(N)CC;UXHZRDGUEDIBGP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376508;MM376508;C=CC(CC=O)C(O)CC;MNCVCJRPWZVKNH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376509;MM376509;C=CCC(C=O)C(O)CC;DQCJYNOKDSDRKA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376510;MM376510;CCC(O)C(C#N)CC#N;LJQKNRDUNYWNQD-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376511;MM376511;N#CCC(C=O)C(O)CO;ZEEULUCWKUQGDS-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376512;MM376512;N#CCC(C=O)C(O)CF;MXQMSBPPYIBBGH-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376513;MM376513;N#CCC(C#N)C(O)CF;QQAWZHUUZGQLOJ-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376514;MM376514;C=CCC(C=C)C(F)CN;RHZPYCRTWXVGHW-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376515;MM376515;N#CCC(C=O)C(F)CO;DSWZDGPHMNRQRZ-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376516;MM376516;N#CC(CC=O)C(F)CO;IQGMVFZLQONOOE-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376517;MM376517;C=CCC(C=C)C(C)NC;AHUOHOAYFKIZTD-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376518;MM376518;C=CC(CC=O)C(C)NC;GBWGIKWVOWTUEW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376519;MM376519;C=CC(CC#N)C(C)NC;JLRBSPJYHNNVDM-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376520;MM376520;C=CCC(C=O)C(C)NC;VWHNIVIJXDWPEP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376521;MM376521;C=CCC(C=O)C(C)OC;QADWWSXEYGURDM-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376522;MM376522;CC(CF)C(C=O)N=CN;LRDAVAAERLTWMS-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376523;MM376523;CCC(O)C(C#N)NC=N;MCIDVWMKZRQWEA-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376524;MM376524;N#CC(NC=N)C(O)CO;ZMJHRJNRELLPJB-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376525;MM376525;N#CC(NC=O)C(O)CO;TXWXVPGSRKIQHO-UHFFFAOYSA-N;144.13;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376526;MM376526;NC=NC(C=O)C(O)CF;JGLOYICUDMKIIQ-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376527;MM376527;N#CC(NC=O)C(O)CF;PBBYRBCNSGXHRW-UHFFFAOYSA-N;146.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376528;MM376528;C=CC(NC=N)C(F)CF;KCQXDIOEXXWZKT-UHFFFAOYSA-N;148.16;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376529;MM376529;NC=NC(C=O)C(F)CO;JQSJTNULLGOHLO-UHFFFAOYSA-N;148.14;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376530;MM376530;N#CC(NC=N)C(F)CF;GZZJPUROWVLCDY-UHFFFAOYSA-N;147.13;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376531;MM376531;N#CC(NC=O)C(F)CF;MIMUGXVAVUZJPM-UHFFFAOYSA-N;148.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376532;MM376532;C=CC(NN=C)C(N)CO;UWBURFJWWFXTEY-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376533;MM376533;C#CCCC(CC=C)=NN;NDRWIVKSMPRMEF-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376534;MM376534;N#CC=C(N)CC(F)(F)F;KJRQTCUOIBSGHF-UHFFFAOYSA-N;150.1;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376535;MM376535;C#CCCC(CC=O)=NO;LTCXDHGLJWMQFJ-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376536;MM376536;CCC(C)CC1CC1(C)O;MDGJZPHUMOEPRM-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376537;MM376537;C=CC(C=O)NCC(C)=O;GZWVWIPCUQIPPN-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376538;MM376538;C=CC(NN=C)C(F)CN;WCRNPPFONITRQD-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376539;MM376539;C#CCCC(=NO)NC=O;YXRQAONNCXLGFS-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376540;MM376540;C=CC(=O)CC(C)=NOC;JGQOYUSCKTYPFN-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376541;MM376541;C#CCCC(=NO)OC=C;KAOODHDCFLVHKD-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376542;MM376542;COC(C)C(C#N)NC=N;FEORVUQGUQUURE-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376543;MM376543;C#CCNC(CC=O)=NC;BQPFXXUNPYRWAJ-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376544;MM376544;COC(C)C(C#N)NC=O;IPLOKBJLSOTPLT-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376545;MM376545;C#CCNC(=NC)NC=C;ZBDVZSSBMPMTEJ-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376546;MM376546;CC(CO)C(C#N)OC=O;GTNCLGQRENMACK-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376547;MM376547;C#CCNC(=NC)NC=O;SCBFUVPQRUKXSN-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376548;MM376548;C=CC(OC=O)C(O)CO;YNNUNGUPNRGEQV-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376549;MM376549;C#CCNC(=NN)NC=N;DOXZJGNTHQFRTE-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376550;MM376550;C=CC(OC=O)C(O)CF;YWKJBIUSEVCBME-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376551;MM376551;C#CCNC(=NO)NC=N;XJPBIRDDVXEMOL-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376552;MM376552;C=COC(C#N)C(O)CC;WWWQEUSQZIBREM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376553;MM376553;C#CC12CCC(CO)(C1)C2;JGPRJJLOLGDOPB-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376554;MM376554;CCC(O)C(C=O)OC=O;QZKJEUITBXUNOY-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376555;MM376555;C#CCNC(=NC)NN=C;CFJQNHXOUWIFMF-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376556;MM376556;C=COC(C=O)C(O)CO;OCUIHMFDMCJYIV-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376557;MM376557;C#CCNC(=NO)ON=C;PBWDOHNIYCKSMP-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376558;MM376558;N#CC(OC=O)C(O)CO;VNBSCDGKFZOSRX-UHFFFAOYSA-N;145.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376559;MM376559;C#CCOC(=CC)CC#N;JHIBGQACZSDWFI-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376560;MM376560;C=COC(C=O)C(O)CF;CYNCWPUTJLZULM-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376561;MM376561;C#CCOC(=CC)NC=N;TWGHCLFCFNPRNR-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376562;MM376562;C=CC(OC=O)C(F)CN;VXDZEWGNRFMAHL-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376563;MM376563;C#CCOC(=CF)NC=O;AJQLYLIXFRBVIF-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376564;MM376564;C=COC(C=O)C(F)CO;HKKMXIGGSSYQNL-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376565;MM376565;C=CC(F)C(=N)NN=CC;MIYRPAHUZLSEFL-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376566;MM376566;C=C(C#CC)CC1(O)CC1;VVDNWQLZOGQKCF-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376567;MM376567;C#CCOC(=NN)NC=O;ZGKHFGDYBPNIES-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376568;MM376568;CCOC(=NC(C)=O)NN;RNHSSVODJKIQGR-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376569;MM376569;C#CCOC(=NO)NC=C;SXLGRPFQHDTNAG-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376570;MM376570;C=NN(C=O)C(=O)C(C)N;HYMOLSDNGOUESQ-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376571;MM376571;C#CC(F)C(C)=NOC=O;XPCIPTLJSRMGMC-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376572;MM376572;C=NOC(C#N)C(F)CF;XPCMVPQDPZUSTL-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376573;MM376573;C#CCOC(=NO)NC=O;UYRYHUSZMDECOR-UHFFFAOYSA-N;142.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376574;MM376574;CNC(C)C(C=O)OC=O;HSAAINICLIFXQO-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376575;MM376575;CNN=C(C=O)C(F)=CF;MHIDDVGNCQUQKK-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376576;MM376576;C=COC(C#N)C(C)OC;QULJCLNRHOXLGO-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376577;MM376577;C#CCOC(=NO)OC=O;BLXXBCIAFFPUHO-UHFFFAOYSA-N;143.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376578;MM376578;C=NOC(C#N)C(C)OC;SGNCMPCARVDJPE-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376579;MM376579;CNN=C(NN)OC=NN;XOTDGTUCBOBHNX-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376580;MM376580;C=CCC(C#N)N(C)CC;KKUWRTIQVVOGMT-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376581;MM376581;C#CCC(=CC)CCCN;QPPJQHIRSKVLNR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376582;MM376582;C=CCN(C=N)C(C)CN;IBOUAWVSFVHGTB-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376583;MM376583;C=NNC=C(C=O)OCC;CWCUSAJGBNKLEL-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376584;MM376584;C=CCN(C=N)C(C)CO;VRZPAAZRXYVIHC-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376585;MM376585;C#CCC(=CC)CCCF;MBXLMPRYDCNNJL-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376586;MM376586;C=CCN(C=N)C(C)CF;LDGUQDBEFMVZRU-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376587;MM376587;C#CCC(=CF)CCCN;MZOPAQOHAJERNL-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376588;MM376588;C=C(C(C)O)C(C)C=CF;UBSJSJODNRZONA-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376589;MM376589;CCNN=c1onc(N)o1;VPTFIJMVZBQMHH-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376590;MM376590;C=CCN(C=O)C(C)CO;QBUYNWUYBGNJAL-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376591;MM376591;C#CCC(=CF)CCCF;QLQUCLCGLGAPLF-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376592;MM376592;CCN(C)N(C=N)CC=O;WLMBOEFCYIAKTG-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376593;MM376593;C#CCC(=CC)CCNC;FNSVNSMDFFJPFX-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376594;MM376594;CC(C=CF)=C(C)C(C)O;HWSLFNJRYGYVNJ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376595;MM376595;C#CCC(=CF)CCNC;LUNBRBHQSPLMCQ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376596;MM376596;C#CCC(C=C)C(C)CN;OGSTZDWQVLDFDU-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376597;MM376597;C#CCC(=CC)CCOC;OFTHEUQDWZUQFT-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376598;MM376598;C#CCC1CC(=C)C(O)C1;FJJCWPJJVHORMA-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376599;MM376599;C#CCC(=CF)CCOC;GLPKNAGYVGZUJZ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376600;MM376600;C#CCC(C=C)C(C)CF;DNYONTQPDPXDNY-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376601;MM376601;C#CCC(CCCO)=NO;YVHXHGGHJMJATC-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376602;MM376602;C#CCC(C=C)C(N)CC;KPWVQRYYBBJNBT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376603;MM376603;C#CCC(CCCF)=NO;YPJVODGGHLKRRJ-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376604;MM376604;C#CCC(C=C)C(N)CN;GYWSHSHIGOCKQL-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376605;MM376605;C#CCC(=CC)CNCC;NEZSUSQLPLWPBS-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376606;MM376606;C#CCC(C=C)C(N)CF;JKMXYABBSBINJP-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376607;MM376607;C#CCC(=CF)CNCC;FKHQOOOMIGPOMD-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376608;MM376608;C=CCC1=NC(=N)C(=N)N1;OJFRNYVRSRTXIY-UHFFFAOYSA-N;136.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376609;MM376609;C#CCC(=CC)COCC;LJGRKTYUZFNROD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376610;MM376610;C#CCC(C=O)C(O)CO;LXBIHPQYXRVJMR-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376611;MM376611;C#CCC(=CF)COCC;AHVMHKAFHBBPJU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376612;MM376612;C#CCC(C#N)C(O)CO;MJXPKJLJMUUTAP-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376613;MM376613;C#CCC(=NC)NCCF;NDXUXUVZAMMHGB-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376614;MM376614;C#CCC(C=C)C(F)CC;XYVCJBGLSFLRMG-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376615;MM376615;C#CCC(=NO)NCCF;LBPXQWPBZLRCNL-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376616;MM376616;C#CCC(C#N)C(F)CO;CHDDEXNEMPTWMT-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376617;MM376617;C#CCC(=NOCC)NC;PSBSVDNXHSVAMO-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376618;MM376618;C#CCC(C=C)C(C)NC;LUIAKLXNYXULTO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376619;MM376619;C#CCC(=CC)OCCN;ZTNRBKPIQLNDCD-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376620;MM376620;C#CCC(C=O)C(C)OC;OLAUDHCYGRBOLY-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376621;MM376621;C#CCC(=CC)OCCO;GUHZCWWBIBWTRW-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376622;MM376622;C#CCN(N=C)C(C)CC;XRDLUTCHTGRNKQ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376623;MM376623;C#CCC(=CC)OCCF;JVNRICQUIBOQFN-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376624;MM376624;C=CC(C)C(C=C)CCN;PXGBXSZZYJVEOS-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376625;MM376625;C#CCC(=CC)CCC=O;YRNHBWPAGKJKBH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376626;MM376626;C=CC(=C)CC(CC)CO;CWPHYLKJEMGDLX-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376627;MM376627;C#CCC(=CF)CCC=O;VTZQBUGFVQLSDH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376628;MM376628;C=CC(C)C(C=C)CCF;VNRYEOHHHTUTNU-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376629;MM376629;C#CCC(CCC=C)=NO;SARASECNLAGIIB-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376630;MM376630;C=CC(CCC)C(C)C=O;UNRLDQYJBFABTH-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376631;MM376631;C#CCC(CCC#N)=NO;LVIMYYCDFMKJTR-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376632;MM376632;C=C(C=O)CC(CC)CO;PKQCAEQYTPJDMO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376633;MM376633;C#CCC(=CC)CNC=N;MIKMAYSHLVSPTA-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376634;MM376634;C=CC(C)C(C=O)CCC;GBPNQHYQANBCRI-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376635;MM376635;CC1C(C)C1CC1(O)CC1;YCXCPSABWWTKCK-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376636;MM376636;C=CC(C)C(C=O)CCF;NISMJKIXZNMFLJ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376637;MM376637;C#CCC(=CC)CNN=C;VINUVUZZDPHYLW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376638;MM376638;CCCC(C=O)C(C)C=O;ZLFYRGQLVGZGBR-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376639;MM376639;C#CCC(=CF)CNN=C;LCNOVUGTKXSBJO-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376640;MM376640;CC(C=O)C(C=O)CCO;UJHBNFBVQNYOMH-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376641;MM376641;C#CCC(=CF)COC=C;FIOVLWCLKOEAAC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376642;MM376642;CC(C=O)C(C=O)CCF;LZDJDLOSIIWJPX-UHFFFAOYSA-N;146.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376643;MM376643;C#CCC(=CF)COC=O;HAQWKZVSKMLNPG-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376644;MM376644;C=CC(N)C(C=C)CCC;USBHQIIGCMFWSM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376645;MM376645;C#CCC(=CC)CON=C;RCDFGJNYHKWRJS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376646;MM376646;C=CC(N)C(C=C)CCN;GHBPHYGHFJLIDV-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376647;MM376647;C#CCC(CON=C)=NN;KABUVKKZYCQPHS-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376648;MM376648;C=CC(N)C(C=C)CCF;UTXHWVBFEPTQGL-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376649;MM376649;C#CCC(=NC)NCC=C;ADAKYCLPWKABMI-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376650;MM376650;C=C(C=O)C(C)C(C)CO;OBPIPPNAJMQPJF-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376651;MM376651;C#CCC(=NO)NCC=C;XEDASUVUQLHMCE-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376652;MM376652;C=CC(CCC)C(O)C=O;PZNPIKSPBCIUMI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376653;MM376653;NN=C(C#CCCF)NN;FTCFCBHPJHXSQM-UHFFFAOYSA-N;144.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376654;MM376654;C=CC(CCO)C(O)C#N;RVYNPSJUOASXSB-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376655;MM376655;C#CCC(=NO)NNC=N;MGFPBJBQWRVRDN-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376656;MM376656;CCCC(C#N)C(O)C=O;SHLADUBNNYJZNF-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376657;MM376657;C#CCC(=NO)NNC=O;KSUWGLHMHJAMEE-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376658;MM376658;N#CC(CCO)C(O)C=O;NOBVLBJYBRRFHD-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376659;MM376659;C#CCC(=CC)OCC=C;PHKUSKFWTFHIHU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376660;MM376660;N#CC(O)C(C=O)CCO;FBTRILAZDHUFAI-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376661;MM376661;C#CCC(=CF)OCC=O;HTPGNTAPLCIEFM-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376662;MM376662;N#CC(O)C(C#N)CCO;DEVZWBZVMUDYCN-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376663;MM376663;C#CCC(=CF)OCC#N;RHHWJXAGDGEGHE-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376664;MM376664;N#CC(CCF)C(O)C=O;NNHWDHSXUZUNID-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376665;MM376665;C#CCC(=NN)ONC=O;USRZSXJYCCVELY-UHFFFAOYSA-N;141.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376666;MM376666;C#CCCC(=CC)CC#C;VRCNMHFBMZAFHZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376667;MM376667;N#CC(F)C(C#N)CCO;XAWBPVMJGGCAQU-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376668;MM376668;N#CC(F)C(C=O)CCF;HVEPZUIUQMZBKE-UHFFFAOYSA-N;147.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376669;MM376669;N#CCC1=CCC(O)CC1;TWFVAOBBYYUSDA-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376670;MM376670;C=CC(C)C(C=C)CNC;YVIMTAPXMSFWHP-UHFFFAOYSA-N;139.24;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376671;MM376671;C#CCNC(CC#C)=NO;VVIGLQYBTLRAHA-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376672;MM376672;CNCC(C=O)C(C)C#N;QYVWLJMUYKDKAZ-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376673;MM376673;C#CCOC(=CC)CC#C;PUVYIURDFUBXNI-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376674;MM376674;C=CC(N)C(C=C)CNC;NIJIPFSTGNNCBA-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376675;MM376675;CC=C(CC=CF)CCC;ZLVLGMFOMQIMFO-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376676;MM376676;C=CC(F)C(C=C)CNC;RYGUNRRHLYNTFF-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376677;MM376677;CC=C(CC=CF)CCN;WZHUAUJCWBJVPH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376678;MM376678;CCCC(=CF)CC=CF;SVMANZMJBVGDTF-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376679;MM376679;C=CC(COC)C(C)C=O;KHTOHRJAQDKIGC-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376680;MM376680;CC=CCC(=CF)CCN;JYTNAWBBMWSZHL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376681;MM376681;C=CC(C)C(C=O)COC;OOOMWPYYYIYNTL-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376682;MM376682;NCCC(=CF)CC=CF;RLTBVNAPNVLYFU-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376683;MM376683;C=CC(COC)C(O)C=O;BJCBXRBBKVRSRU-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376684;MM376684;CC=C(CC=NN)CCC;OITWHFFQPRQMKY-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376685;MM376685;C=CC(COC)C(F)C#N;BNWAPZXTSUCYER-UHFFFAOYSA-N;143.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376686;MM376686;CC=C(CC=NO)CCC;YNINULAXJKHNAY-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376687;MM376687;C=CC(F)C(C#N)COC;QJIGMTWVNPZUCH-UHFFFAOYSA-N;143.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376688;MM376688;CC=C(CC=NN)CCF;MPAPNPNUBSMFEB-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376689;MM376689;C=CC(C)C(C=C)NCC;AHTKITCRDAZNSH-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376690;MM376690;CC=C(CC=NO)CCF;JCEHROJZIYNKDT-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376691;MM376691;C=CC(NCC)C(C)C=O;HHOHHBLZWYWTDW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376692;MM376692;CCCC(=CF)CC=NO;OBQGYUWSVIVYIP-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376693;MM376693;C=CC(C)C(C=O)NCC;YKWMDWFFZVGKJD-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376694;MM376694;NN=CCC(=CF)CCF;JLVWEDVPQBQKEG-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376695;MM376695;C=CC(N)C(C=C)NCC;GCCWEQDAILJTPY-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376696;MM376696;ON=CCC(=CF)CCF;WEKCDUGVCKLVMH-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376697;MM376697;C=CC(NCC)C(O)C=O;VRKBIGWLFPTBHY-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376698;MM376698;CC=C(CC=CF)CNC;SCWBYLJKJFPBTK-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376699;MM376699;C=NOCC(C)=CCC=O;MUEYKTBPGWAIHW-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376700;MM376700;CC=CCC(=CF)CNC;LEYWUFWZURRTFL-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376701;MM376701;CC=NNC(C)C(=O)C=O;JQQLEUMUAPJTPL-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376702;MM376702;CCCC(CC=CF)=NN;VOZGQQHVURWLFW-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376703;MM376703;CCNC(C#N)C(O)C#N;SXMFMDSHFFDNST-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376704;MM376704;CC=CCC(CCF)=NN;IRHUWXGSUZBAMF-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376705;MM376705;C=CC(O)C(C#N)OCC;OUUPQQQHIACONO-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376706;MM376706;NN=C(CC=CF)CCF;NYJMYCHZCLHSPJ-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376707;MM376707;CCOC(C=O)C(O)C=O;SWVCLVPZFLGJAY-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376708;MM376708;CCCC(CC=CF)=NO;KQIRVQMAUSSKAZ-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376709;MM376709;CCOC(C#N)C(O)C=O;FVYSXJHDLZEBIH-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376710;MM376710;ON=C(CC=CF)CCF;AIONITLTCROYLI-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376711;MM376711;CCOC(C#N)C(F)C#N;OHGNEEYQHJZNBI-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376712;MM376712;CCCC(CC=NO)=NN;VURDOOPUKAHVOT-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376713;MM376713;C=CC(CCF)N(C)C=N;AVQVONKZLBRHEG-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376714;MM376714;CCCC(CC=NN)=NO;CLRWQUVBIIFJDD-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376715;MM376715;C=CC(CCN)N(C)C=O;HAKWEAFQECTRNR-UHFFFAOYSA-N;142.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376716;MM376716;OCCC(CC=NO)=NO;VNJPSOFBSXDGSH-UHFFFAOYSA-N;146.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376717;MM376717;CN(C=N)C(C#N)CCO;JWDYZKQTHQXLAH-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376718;MM376718;CCN=C(CC=CF)NN;GBKIXJCXEHVZQL-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376719;MM376719;CN(C=O)C(C#N)CCO;DYRVCSBKHCDVDV-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376720;MM376720;CCN=C(CC=CF)NO;HNNBYFYRENXQTO-UHFFFAOYSA-N;146.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376721;MM376721;C=CC(CCC)N(N)C=O;JZHANQXRWQMHOM-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376722;MM376722;CNN=C(CC=NO)NC;MOTBBZNNFPPZCO-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376723;MM376723;C=CC(CCN)N(O)C=N;KSQNMOWXPVHXLF-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376724;MM376724;C#CCC1=CCC(O)CC1;VBSRVUJASLHKFE-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376725;MM376725;C#CC(F)C(=N)NN=CC;JABMPTFUYWSUEE-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376726;MM376726;CC#CC1COC(=NN)O1;DSSWHICXZBUCDU-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376727;MM376727;C=CC(CNC)N(C)C=O;GHFGFAFGFXRXRP-UHFFFAOYSA-N;142.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376728;MM376728;CON=C(CC=CF)NN;STIGLTIVNMMCKN-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376729;MM376729;CNCC(C#N)N(C)C=N;KQAXKGHSWGLDKZ-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376730;MM376730;CON=C(CC=NO)NO;LIIZQBMIGLFZHZ-UHFFFAOYSA-N;147.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376731;MM376731;COCC(C#N)N(C)C=N;FUMRQZNDADOFPM-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376732;MM376732;CC=C(CCN)N=CNO;RCTKCQRXKNDOTI-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376733;MM376733;C=CC(CCN)N(C)N=C;FDEGLXORUMBWHU-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376734;MM376734;CC#Cc1nc(NC)co1;XEUUIVWCALLBPL-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376735;MM376735;CCC(O)C(C)=CCC=O;JPFLEHJDZNPECQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376736;MM376736;CN=CNC(=CF)CCO;FICOTRVIDUJKIC-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376737;MM376737;CC(=CNN=CC=O)N=O;QLAHLZDYCHFHFD-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376738;MM376738;CCCC(=NC=CF)NC;WRRUWNROLWOTNK-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376739;MM376739;C=NN(C)C(C#N)COC;LLZXOWJXXMSWAX-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376740;MM376740;CC=CN=C(CCO)NC;WTJXDOOUFPCBNX-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376741;MM376741;C=CC(C)N(C=N)CCC;OOZWQNHRZBAAOC-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376742;MM376742;CN=C(CCF)NC=CF;BKLLUCJQNWBCCV-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376743;MM376743;CCCN(C=N)C(C)C#N;KFQXFYDZLPQKMY-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376744;MM376744;CC=CN=C(CCN)NO;BMCRTYBPALVGBX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376745;MM376745;CC(C#N)N(C=N)CCO;YCXSGRWGCGTNPK-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376746;MM376746;CCCC(=NC=NO)NN;LLYJVSKVYGUIID-UHFFFAOYSA-N;144.18;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376747;MM376747;CC(C#N)N(C=O)CCO;PEGFGYISSPRNIH-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376748;MM376748;NNC(CCO)=NC=NO;HZAYGBBRXGMOAH-UHFFFAOYSA-N;146.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376749;MM376749;C=CC(C)N(CCN)N=C;MWHKCFBTJKXVFI-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376750;MM376750;CCCC(N=CNO)=NO;XSGBTYIMBMRKHD-UHFFFAOYSA-N;145.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376751;MM376751;C=CC(CC=O)C(C)CO;SJIDROXSFQQERX-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376752;MM376752;CC=CN=C(COC)NC;PSOVEANLPAQOSZ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376753;MM376753;C=NN(CCC)C(C)C#N;SCIKQILNOIWJMM-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376754;MM376754;CNC(COC)=NC=CF;AKWBAXJDBNTIBN-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376755;MM376755;CNN=C(NN)C(F)CF;BIYQETKCIFIVMY-UHFFFAOYSA-N;152.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376756;MM376756;CNc1nc(=NN)n(N)o1;QOTFNUUNAINOCS-UHFFFAOYSA-N;144.14;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376757;MM376757;C=NN(CCF)C(C)C#N;PELGDADRCQLODO-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376758;MM376758;CCNC(N=CNC)=NO;VZTJEQRIENSRHF-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376759;MM376759;CN(C=N)N(C=N)CCN;VLOSYEYUGXQBOQ-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376760;MM376760;CNNC(=NN)NC=CF;MTYJYIWCOSRLFE-UHFFFAOYSA-N;147.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376761;MM376761;CN(C=N)N(C=N)CCO;IJFGKFGYNOPNIZ-UHFFFAOYSA-N;144.18;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376762;MM376762;CN=CNC(=NC)NNC;NJSXWVVLHRDVOC-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376763;MM376763;CN(C=O)N(C=N)CCN;ZDZYMQBKCRHVQO-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376764;MM376764;CN=C(NC=NO)NNC;VIMIXKQEMRCWJS-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376765;MM376765;CN(C=N)N(C=O)CCN;ZAENZMHYSLWZFF-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376766;MM376766;CNC=NC(=NN)NNC;BMBTYQMXWPSQJO-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376767;MM376767;CN(C=O)N(C=O)CCO;ORRSXMMTEIAPQU-UHFFFAOYSA-N;146.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376768;MM376768;CNNC(N=CNN)=NN;FOLATWBCVIUGLH-UHFFFAOYSA-N;145.17;-2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376769;MM376769;C=CC(C)C(C=C)CC=O;PBNAUYNPJPIKFB-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376770;MM376770;CNC=NC(=NO)NNC;PTJGFQHXTBNQBF-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376771;MM376771;C=CCC(C=C)C(C)C=O;YZGXWFLIEGTTOF-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376772;MM376772;C=NN=CCNN=CC=O;YTVGCFJJKQTNJQ-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376773;MM376773;C=CC(CC=O)C(C)C=O;HAUFESYDAWXMKQ-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376774;MM376774;COC=NNCC#CC=O;XNFVKXYKEBCNKS-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376775;MM376775;C=CC(CC#N)C(C)C=O;KRZVJCNGGNJIST-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376776;MM376776;CCOC(=CF)N=CNN;BWJUKZMGFDEFFO-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376777;MM376777;C=CCC(C=O)C(C)C=C;GRJQOHBTXFVSNN-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376778;MM376778;Nc1cocn1;NXWFZLSDGBWCMN-UHFFFAOYSA-N;84.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376779;MM376779;C=CC(C)C(C=O)CC=O;GYMPOFMQBCNSTG-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376780;MM376780;CCOC(=NO)NC=CF;ZVAYNZYTHVOHPH-UHFFFAOYSA-N;148.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376781;MM376781;C=CCC(C#N)C(C)C=O;RIRSIZCAPMDWLP-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376782;MM376782;C=CC1(O)CC(C)C1;AQFDLKCPHDIWEE-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376783;MM376783;C=CCC(C=C)C(N)C=C;CZWSIABSNZMRDR-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376784;MM376784;C#Cc1[nH]ccc1N;SCTUEVKRQZSLTL-UHFFFAOYSA-N;106.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376785;MM376785;C=NN(C)C(CF)=NNC;IDRPOQIPVOUKNS-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376786;MM376786;C#CCC(O)C1CC1;WMGKDAXGWRRUHT-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376787;MM376787;C=CC(O)C(C=C)CC=O;MKNRXQHJXUOLAI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376788;MM376788;CC=NNC(=NO)OCC;XFIBKEGORJBTNU-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376789;MM376789;C=CC(CC=O)C(O)C=O;KNNDDUQCSUVGLQ-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376790;MM376790;CC=C(CCN)OC=CF;XSISHJVKSZDEJR-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376791;MM376791;C=CCC(C=O)C(O)C=C;SOBFGTRSYGAKPH-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376792;MM376792;NCCC(=CF)OC=CF;PADYCRIHBHTIKY-UHFFFAOYSA-N;149.14;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376793;MM376793;C=CCC(C#N)C(O)C=C;ZOHHNTLTTYXHEN-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376794;MM376794;CC=C(CCN)OC=NO;ZTJZJDZWTUGHQJ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376795;MM376795;N#CC(O)C(C=O)CC=O;SXYXBVHKHKUXMB-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376796;MM376796;CC=COC(CCO)=NO;FKRSENVZNUASJF-UHFFFAOYSA-N;145.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376797;MM376797;N#CCC(C=O)C(O)C=O;IWJVJUZBLKVVET-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376798;MM376798;CCCC(=NN)OC=NO;SYEAKYRRDKQCFG-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376799;MM376799;N#CC(CC=O)C(O)C=O;XVRDHWGBVWSJCX-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376800;MM376800;CC(=O)C=NOC(C)C;QPZRCVCHYOWOTH-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376801;MM376801;N#CC(O)C(C#N)CC=O;YXODNNPKMQMOKT-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376802;MM376802;NN=C(CCO)OC=NO;BSRXDZBYDCQQOK-UHFFFAOYSA-N;147.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376803;MM376803;C=CCC(C=C)C(F)C#N;VIDWPFFEKVZBKZ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376804;MM376804;NN=COC(CCO)=NO;CXNMEUIKFVMXAY-UHFFFAOYSA-N;147.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376805;MM376805;C=CC(CC=O)C(F)C#N;IOZZRMIRJVQDCT-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376806;MM376806;C=CC1(CO)CC(C)C1;YBSFRATXVVXDKQ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376807;MM376807;C=CC(F)C(C=O)CC=O;UKTKMUTVTFACBW-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376808;MM376808;CCC1=CC2CC2(O)C1;BPSKAXFAIGAXMM-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376809;MM376809;C=CC(NC=N)C(C)C#N;GQFWCMQQQKWMAM-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376810;MM376810;C=CC=C1CCC(O)C1;NYIMINUTKUFWKU-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376811;MM376811;C=CC(NC=O)C(C)C#N;UVMHCGOSZKLOEZ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376812;MM376812;O=CC=C1CCC(O)C1;KDNVKIQBNICXCA-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376813;MM376813;C=CC(C)C(C#N)NC=O;FQZRZXNGECVXMI-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376814;MM376814;Cn1nc(N)oc1=NN;QHEQVLPISYTANT-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376815;MM376815;CC(C=O)C(C#N)NC=O;IRBARHXUWWYABQ-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376816;MM376816;C#CC1NCC(=O)C1=C;YDYLSAXNZOUJFY-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376817;MM376817;NC=NC(C=O)C(O)C=O;FJGOVSFEAFIHKE-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376818;MM376818;CC=NOC(=NC)NCC;LXOUONAZEPDFGD-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376819;MM376819;N#CC(O)C(C=O)NC=O;IDOGUMZKJFHWJT-UHFFFAOYSA-N;142.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376820;MM376820;CCn1cc(NC)nn1;KUYYVUCKUFEBFL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376821;MM376821;N#CC(NC=O)C(O)C=O;KHGGTTAJLNWMFP-UHFFFAOYSA-N;142.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376822;MM376822;CC=NOC(=NO)NCC;DFNSVTVJUAMWJS-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376823;MM376823;C=CC(F)C(C=O)NC=O;ICVVBNAZNPLEKT-UHFFFAOYSA-N;145.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376824;MM376824;C=CCC(=CC)CC=CF;FXBJFMYBDAYKBY-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376825;MM376825;N=CNC(C=O)C(F)C=O;FEXCQJFXWLBLFZ-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376826;MM376826;N#CC(F)C(C#N)NC=O;CGDKJTUIQIWJQV-UHFFFAOYSA-N;141.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376827;MM376827;CC=C(CC=O)CC=CF;JIOUGWQBFXLURS-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376828;MM376828;C=CCc1c[nH]c(NC)c1;GIEOFMJQEHPFFN-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376829;MM376829;CC=C(CC#N)CC=CF;IBCNCIHFDCWUAK-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376830;MM376830;C=COC(C=C)C(C)C#N;CLZDUFFMIXYJJG-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376831;MM376831;C=CCC(=CF)CC=CF;GRAHSSHIWVKCQB-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376832;MM376832;C=CC(OC=O)C(C)C=O;IMFCGGNKYKZILS-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376833;MM376833;CC=CCC(=CF)CC=O;SLQLRPDESSZNAD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376834;MM376834;C=COC(C#N)C(C)C=O;SPHYSFKMERNYDR-UHFFFAOYSA-N;139.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376835;MM376835;O=CCC(=CF)CC=CF;FSOYHGYEOFSFBX-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376836;MM376836;C=COC(C=C)C(O)C=O;PRYUGPIHEKMNKK-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376837;MM376837;C=CCC(=CC)CC=NO;UMIZPXVPHJQQBQ-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376838;MM376838;C=COC(C=C)C(O)C#N;HTSGUPNXYRCILW-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376839;MM376839;CC=C(CC=O)CC=NO;JABVSZZXRVBLES-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376840;MM376840;C=CC(O)C(C#N)OC=O;GCFUTIGDRYDMDG-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376841;MM376841;C=CCC(=CF)CC=NN;KKOTTZCXGHKFRI-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376842;MM376842;C=COC(C=O)C(O)C#N;HPHQLQLVTIFKDH-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376843;MM376843;C=CCC(CC=CF)=NN;VMIKSGQTRSNIED-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376844;MM376844;C=COC(C#N)C(O)C=O;KIRNBOGWNUVJDI-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376845;MM376845;C=CCC(CC=CC)=NO;FGLXMQCHBXOTEI-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376846;MM376846;C=COC(C#N)C(F)C=C;IGYOFCFMJMGZHX-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376847;MM376847;CC=CCC(CC=O)=NO;WXXYSLNXMFCDPT-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376848;MM376848;C=COC(C#N)C(F)C=O;VGRLOHLRWSJAPG-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376849;MM376849;C=CCC(CC=NN)=NN;ZUXYSWAROMASHB-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376850;MM376850;C=COC(C#N)C(F)C#N;IEUDFKFXNBDTLS-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376851;MM376851;N=CNC(=CF)CC=CF;WUMCYESJEOSPRB-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376852;MM376852;CCCc1cc(NC)no1;LQUHGGGUGYHXJZ-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376853;MM376853;N=CNC(=CF)CC=NN;ZKILTJPICZIFNV-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376854;MM376854;CC1CC2(C#N)NC2C1=O;GDHYCRORWXFIBE-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376855;MM376855;O=CNC(CC=CF)=NO;JPYOOCGKKMRIMS-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376856;MM376856;C=CC(F)C(C=C)ON=C;ZHGLMHYRZDVYLB-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376857;MM376857;CN=C(CC=NO)NC=N;HKTUCZUQVPEDAO-UHFFFAOYSA-N;142.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376858;MM376858;C=CC(F)C(C#N)ON=C;MWEHLATZDPKERF-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376859;MM376859;C#Cc1nc(NC)co1;DYPLRJKSRLYEMS-UHFFFAOYSA-N;122.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376860;MM376860;C=NOC(C#N)C(F)C#N;MZCGUAUBOYAZRX-UHFFFAOYSA-N;141.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376861;MM376861;O=CNC(CC=NO)=NO;ZCNQNLNMXFQJAQ-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376862;MM376862;C=CCC(C=C)N(C)C=N;MZICIZBDFCNXTQ-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376863;MM376863;N#CC#CC(=O)C1CN1;IQXBNCZQIGCVGW-UHFFFAOYSA-N;120.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376864;MM376864;C=CCC(C=C)N(C)C=O;SFDSYYKCGQBKMV-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376865;MM376865;C#CC1(C)CC(O)(C=C)C1;ARPYXZROTMESFG-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376866;MM376866;CN(C=N)C(C=O)CC#N;WYOWKQHRWIZQNX-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376867;MM376867;CC=C(CC=O)NC=NC;AQFGCRYKTGJFBT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376868;MM376868;CN(C=O)C(C#N)CC=O;DTDHFUKYUHPFEP-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376869;MM376869;CC=C(CC#N)NC=NC;GVXPVKSNGMTULH-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376870;MM376870;C=CC(CC#N)N(C)N=C;HFNUGBLZBSMKOH-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376871;MM376871;N#CCC(=CF)NC=NO;VWBGSOBHWVIDND-UHFFFAOYSA-N;143.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376872;MM376872;C#CCC1C=CC(O)C1C;DFCGCGUXZJRYLU-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376873;MM376873;C=CCC(=NC)NC=CF;KZGHIJWQKNYNPY-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376874;MM376874;C=CCN(C=N)C(C)C#N;UYUQYRRSUQIZGV-UHFFFAOYSA-N;137.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376875;MM376875;CC=CNC(CC=O)=NC;LLYXHZMQKGZRSS-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376876;MM376876;C=CC1NC1C(C=O)OC;NXHRBLADDUZCFM-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376877;MM376877;CC(C)(F)CC#CC=NN;JFCSJNOQUMEDJO-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376878;MM376878;CC(C=O)N(C=O)CC#N;AYXDEUNWIMRGFA-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376879;MM376879;CC(=O)C(C)N=C(N)C=O;KBUCLBXAGWGDBJ-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376880;MM376880;C#CC(=C)C1C(C=O)N1C;SRGAMFVOUIUGCQ-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376881;MM376881;CC=C(NC=N)NC=NC;VWRRCXUHSVWOBK-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376882;MM376882;C=CC(C)N(CC#N)N=C;KZABTCMJYOQZHG-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376883;MM376883;CC=C(NC=O)NC=NC;CBFJZODBCBWEOX-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376884;MM376884;N#CCNCC1CC1C=O;VIFWBIXVTFKPSO-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376885;MM376885;C=CC(C)NN=CC(C)=O;HRIHVVMGQCQJFG-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376886;MM376886;C=CCN(N=C)C(C)C#N;IEIQRTOQEZNEPP-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376887;MM376887;O=CNC(=CF)NC=NO;DXQAKURQNSEAHR-UHFFFAOYSA-N;147.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376888;MM376888;CC(C#N)N(C=O)NC=N;UZXOIXJBEOPJJE-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376889;MM376889;N=CNC(=NN)NC=CF;UBTHNAMMYJDAEW-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376890;MM376890;CC(C=O)N(C=O)NC=O;FZRVZTTXCDZVQQ-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376891;MM376891;N=CNC(=NO)NC=CF;VVGSTJYPJWODJC-UHFFFAOYSA-N;146.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376892;MM376892;CN(C=N)N(C=N)CC#N;UUXDOMUUMJMNSC-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376893;MM376893;O=CNC(=NO)NC=CF;GFQBHVZQWSVXLU-UHFFFAOYSA-N;147.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376894;MM376894;CN(C=N)N(C=O)CC#N;QPBLQXCWFQGNRE-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376895;MM376895;C=CNC(=NC)NC=NC;CLCCFKFDPMDWCN-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376896;MM376896;CN(C=O)N(C=O)CC#N;VZUMXTJEZIDRAM-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376897;MM376897;CN=CNC(=NC)NC=N;MZNPBZZGDFGLKF-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376898;MM376898;C#CCC(C=C)C(C)C=C;QRANFTFIZJDLAQ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376899;MM376899;CN=CNC(=NC)NC=O;WSLPRZCQWMPFSU-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376900;MM376900;C#CCC(C=O)C(C)C=C;YWYUGMLIBRRJSN-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376901;MM376901;C=CNC(=NN)NC=NO;NEFYEQIIAYGDRS-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376902;MM376902;C#CCC(C=O)C(C)C=O;GNGLBOXNLSQTRP-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376903;MM376903;CN=CNC(=NN)NC=N;CNULEHUEVDAKCL-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376904;MM376904;C#CCC(C=C)C(N)C=C;PLYROTBWISBTMI-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376905;MM376905;C=CC(C)ON=CC(C)=O;FBWQLFIFBIABRJ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376906;MM376906;C#CCC(C=O)C(O)C=O;PDOAXCBSSFGVON-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376907;MM376907;CCC(O)CC(C)CC=O;PFTQZCMNYDYVAW-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376908;MM376908;C#CCC(C=C)C(F)C#N;NMFXNCCHLDXGRI-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376909;MM376909;C#CCC(C=O)C(F)C#N;DTZYSOLEYFOYRK-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376910;MM376910;C=NOC(=NC(C)=O)NC;QOLYOWOXWFQEHT-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376911;MM376911;C#CCC(C=C)N(C)C=N;KLXIDOWBNIEATR-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376912;MM376912;O=CNC(=NO)NC=NO;ZNBPGVNHAOKEBK-UHFFFAOYSA-N;146.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376913;MM376913;C#CCC(C=C)N(C)C=O;RBMPGYXGALUDBC-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376914;MM376914;C=C(C(C)C)C1CC1(C)O;QEXUGGKMYRBMGG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376915;MM376915;C#CCC(C=C)N(N)C=N;WAOAJWVKRQXQSQ-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376916;MM376916;C=C(CC=O)C(C)C(C)O;JXLVCZKGFQTNMR-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376917;MM376917;C#CCN(C=O)C(C)C=O;GFWDZCYDOYQTSE-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376918;MM376918;C=NNC(=NO)NC=NO;KLDBCUABHRZTAJ-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376919;MM376919;C#CCN(C=N)N(C)C=N;TVCDRULEXWMCTL-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376920;MM376920;C=COC(=CC)NC=NC;VJJKEOQJVGHSSF-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376921;MM376921;C#CCN(C=O)N(C)C=N;ABPHMYLRPUYRDE-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376922;MM376922;C=COC(=CC)NC=NO;UEDXVCSUEGRBKO-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376923;MM376923;C#CC(C)C(C=C)CCN;AXBFTGRAXOXXAU-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376924;MM376924;CC=NN(C=NN)C=NN;YLVXKZPBCJJXJZ-UHFFFAOYSA-N;142.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376925;MM376925;C=C1C(C)C(=C)C2C(O)C12;OFUQLZCTJCDXIB-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376926;MM376926;C#CCC(O)CC1CC1C;IBJPFTLOYOOGNC-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376927;MM376927;C#CC(C)C(C=O)CCC;QRPUJZMXZTUYMU-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376928;MM376928;NN=C(NC=NO)OC=O;FADIMVFHSFSEQU-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376929;MM376929;C#CC(C)C(C=O)CCF;LBXRLXMHRDIVAD-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376930;MM376930;CNC=NC(=NO)OC=O;WDOZBNVJFWDSKV-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376931;MM376931;C#CC(C)C(C#N)CCF;DKGNFVFRPUPXGT-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376932;MM376932;NN=CNC(=NO)OC=O;NQJXXWDNLMYOED-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376933;MM376933;C#CC(N)C(C=C)CCC;XOUKLMQWFYXJMG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376934;MM376934;O=COC(=NO)NC=NO;JPIQYLZKCUNVCG-UHFFFAOYSA-N;147.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376935;MM376935;C#CC(N)C(C=C)CCN;XZFCDEXUWKQVGY-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376936;MM376936;C=CCc1cc(C)c(N)[nH]1;JSXZYHIHFWWONV-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376937;MM376937;C#CC(N)C(C=C)CCF;BQRLUSBTURPHLE-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376938;MM376938;CCCC1=CC2CC2(O)C1;NCZRDJXOYPCIFE-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376939;MM376939;C#CC(O)C(C=C)CCF;KJLZDTQJRFQPDR-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376940;MM376940;C=NOC(=NO)NC=CC;AHIBVROVFUUMKE-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376941;MM376941;C#CC(O)C(C=O)CCC;SICVIXRBDYBFPC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376942;MM376942;CC=COC(=CC)CC#N;IWFODOXGXNLXEG-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376943;MM376943;C#CC(O)C(C#N)CCO;UWGOVDXTUTYIDM-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376944;MM376944;CC=C(CC=O)OC=CF;GEYRKVZIPIGUDA-UHFFFAOYSA-N;144.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376945;MM376945;C#CC(O)C(C=O)CCF;KYVZYJBDWQPFQX-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376946;MM376946;CC=C(CC#N)OC=CF;PXYIUMCYQZHZRZ-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376947;MM376947;C#CC(F)C(C=C)CCN;QQUPFOXLCQPJBM-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376948;MM376948;C=CCC(=NO)OC=CF;ZGVZVHFWWUZEQO-UHFFFAOYSA-N;145.13;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376949;MM376949;C#CC(F)C(C=O)CCF;XEZWKYDCUNITQZ-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376950;MM376950;CC(=O)OCC(O)C(=O)O;BHCXAMDGMAXARN-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376951;MM376951;C#CC(O)C(C=C)CNC;UVRLQJGDRFXFKZ-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376952;MM376952;C=CCC(=NN)OC=NO;DFMYZQIHECRGBC-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376953;MM376953;C#CC(F)C(C=C)CNC;NLKPGYRHNDCXHN-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376954;MM376954;C=CCC(=NO)OC=NN;NQVQBLFFSRQFIC-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376955;MM376955;C#CC(O)C(C#N)COC;LFHQETXRTLLFQY-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376956;MM376956;O=CCOCC(O)C(=O)O;VTHUBQVHQWWENV-UHFFFAOYSA-N;148.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376957;MM376957;C#CC(N)C(C=C)NCC;QSSUCMKCIBKGRY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376958;MM376958;CC=COC(=CC)NC=N;LIHLRKSPBJQAIL-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376959;MM376959;O=CC12CCC(CO)C1C2;ISWIJEGRZSEJMD-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376960;MM376960;CC=COC(=CC)NC=O;XBKIXLWKYNNPHM-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376961;MM376961;C#CC(O)C(C=O)OCC;RPAMQIQHUFUUGB-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376962;MM376962;CC=COC(=CF)NC=O;FRLRTARCEXYSDE-UHFFFAOYSA-N;145.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376963;MM376963;C#CC(F)C(C=O)OCC;IJFRGSSLABKVHZ-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376964;MM376964;O=CNC(=CF)OC=CF;AYEKVNKEHXUXOK-UHFFFAOYSA-N;149.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376965;MM376965;C#CC(F)C(C#N)OCC;NNEDSJXDNGQNSY-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376966;MM376966;CN=C(NC=O)OC=NO;BOPBOOXPOXXTHW-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376967;MM376967;C#CC(C)N(CCC)N=C;PDJXRMRJTNNZGP-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376968;MM376968;C#CC(CC)C1CC1(C)O;LXQRNEJMUWMLLL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376969;MM376969;C=C1CC=CC1(C)O;QGGBYRQPFUSMHU-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376970;MM376970;O=CNC(=NO)OC=NO;XRWGJDNOEHPVGU-UHFFFAOYSA-N;147.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376971;MM376971;C#CC(C)N(C=O)NCC;RLKSTFHGBJIXKK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376972;MM376972;C=NNC(=NC)OC=NO;BVCFJNMKADHMDS-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376973;MM376973;C#CC(C)N(C=O)OCC;KXFCRTMOHVDVIR-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376974;MM376974;CC=C(CC)C1CC1(C)O;ZQJWFOYTXHXAOG-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376975;MM376975;C#CC(C)C(C=C)CC=C;UEJUFDQUPGUTSM-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376976;MM376976;C=CNC(=NO)ON=CC;ZLBJECKXGGHQSO-UHFFFAOYSA-N;143.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376977;MM376977;C#CC(C)C(C=C)CC=O;KERNPTIMSPORRM-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376978;MM376978;C#CCC(=CC)CC=CF;RCGJFYVQDOIUOW-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376979;MM376979;C#CC(C)C(C=O)CC=C;IVEQSOHJUQOURK-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376980;MM376980;C#CCC(=CF)CC=CF;RUYZPKNFWHYMSX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376981;MM376981;C#CC(C)C(C=O)CC=O;VERUUEKLOAKSML-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376982;MM376982;C#CCC(=CC)CC=NN;MVPUOKICVQNFHH-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376983;MM376983;C#CC(C)C(C#N)CC#N;SHSAYBIBZKFPBR-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376984;MM376984;C#CC1=CC(C)(CO)CC1;FYWWEIXTLDCTLW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376985;MM376985;C#CC(N)C(C=C)CC=C;ZIIRBRPBJPYJPB-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376986;MM376986;C#CCC(=CC)NC=NC;JNEBRWWYLMKNOS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376987;MM376987;C#CC(O)C(C=C)CC=C;DDOIPLDPPLDWNV-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376988;MM376988;C#CCC(=NC=CF)NC;VZYWSAJNOQRTQT-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376989;MM376989;C#CC(O)C(C=O)CC=O;CPVKSOJQNVNPFD-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376990;MM376990;C=CC(=C)CCC1(O)CC1;QJNYFGVHKPIVCI-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376991;MM376991;C#CC(O)C(C=O)CC#N;FJFGDTDQAIQCEK-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376992;MM376992;C=C(C=O)CCC1(O)CC1;HLSSRWQQQKRIAR-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376993;MM376993;C#CC(O)C(C#N)CC=O;FQDWIVUPJWVYEF-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376994;MM376994;C#CCC(=CC)OC=CF;XNARZTQXVKIRMK-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376995;MM376995;C#CC(F)C(C=C)CC=C;JUXNILUMVNPCQO-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376996;MM376996;C#CCC(=CF)OC=CC;IQEWNKVYZRYKGQ-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376997;MM376997;C#CC(F)C(C=O)CC=C;OIQULLKBRAEYHZ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376998;MM376998;C#CCC(=CF)OC=CF;UVAFZRZYBKZDJU-UHFFFAOYSA-N;144.12;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM376999;MM376999;C#CC(C)C(C#N)NC=N;LNMMPMKTGZEXTK-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377000;MM377000;C=CC1(CO)CC(CF)C1;HACARLONFVILIL-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377001;MM377001;C#CC(O)C(C=O)N=CN;PNMRGYGDLKQADT-UHFFFAOYSA-N;140.14;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377002;MM377002;C#CCC(=CF)OC=NO;YXGCKUBEHIKBJO-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377003;MM377003;C#CC(O)C(C#N)NC=N;MTFKMMXTVVLCDM-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377004;MM377004;C=CC(F)C(C)=NOCC;QJCISKNDWGUBNI-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377005;MM377005;C#CC(O)C(C#N)NC=O;VUNHZXKEAGKBDN-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377006;MM377006;N=C(C=O)N=CNOC=O;QBRYTUSPZNSZGA-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377007;MM377007;C=C1C=C(C)C(O)C1;ORQQXKULHXRASB-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377008;MM377008;CC#CCC(=CC)CCC;UAJJFRGPNFUMPD-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377009;MM377009;C#CC(F)C(C=O)OC=C;FIQCRGMMBRUBCN-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377010;MM377010;CC#CCC(=CF)CCN;LKCWQLMLNQJOAJ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377011;MM377011;C#CC(F)C(C#N)OC=C;JWVSFKIUICYXLD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377012;MM377012;CC#CCC(=CF)CCF;LFPUTDYLENVVOH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377013;MM377013;C=CC1(O)C=CCC1;SXEUKRHGTHBHOF-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377014;MM377014;CC#CCC(=CF)CNC;OQMJPFRGQIDZDY-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377015;MM377015;C=C1CCC(O)C1=C;SFATXGRSRNBGJF-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377016;MM377016;CC#CCC(CCF)=NN;UVYJGFQHQXYSOK-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377017;MM377017;C=C1C=CC(O)C1C;BTTJWTNDAPVMNJ-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377018;MM377018;CC#CCC(CCO)=NO;SFAASBPOUMDWNV-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377019;MM377019;C#CC(O)C(C#N)ON=C;CVRDTJKNFMEQKM-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377020;MM377020;CC#CCC(=NC)NNC;SMDGBDKCBAVNIL-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377021;MM377021;C#CC1C(C=O)N1C;CPNFWKYTBCVHPQ-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377022;MM377022;C#CC(C(C)=CC)C(C)O;WZKNSZMLNDPNHT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377023;MM377023;C#CC(C)N(C=N)CC=O;YDHYWLCLLQKPTA-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377024;MM377024;CC#CCC(=NOC)NC;YRSMRSMXNRYIQD-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377025;MM377025;C#CC(C)N(C=O)CC=C;LNLRFJWMSHWUIH-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377026;MM377026;CC#CCC(=CC)CC#N;RTOWJOQBNMVTDJ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377027;MM377027;C#CC(C)N(C=O)CC=O;RUTZPXRRLVVVIE-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377028;MM377028;C=CCC(=CF)CC#CC;GOLPMFLJSRRVII-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377029;MM377029;C=CC1=CCCC1O;SGGYCQUJVSDNFD-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377030;MM377030;CC#CCC(=CF)CC=O;WLIRRPOPXXFNTN-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377031;MM377031;C#CCC(C=C)C(C)C#C;WXJWFSIXWWTLIZ-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377032;MM377032;CC#CCC(=CF)CC#N;IYHABGICYNPSNJ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377033;MM377033;C#CCC(C=O)C(C)C#C;PBSNJFBVSDDHEZ-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377034;MM377034;C=CCC(CC#CC)=NN;ZIGIETOIARMAIO-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377035;MM377035;C#CCC(C=C)C(N)C#C;CQUZFQGUMPBFFZ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377036;MM377036;C=CCC(CC#CC)=NO;OVVHSPBGGMSIDC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377037;MM377037;C#CCC(C#N)C(O)C#C;IQOOCKJPRODCNM-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377038;MM377038;CC#CCC(=CC)NC=N;ABDOMTJDPOYJPI-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377039;MM377039;C#CCN(N=C)C(C)C#C;TVYVXVGVSJAASV-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377040;MM377040;CC#CCC(=NN)NC=O;NQHOLOHWUBDWRZ-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377041;MM377041;C#CC(CCF)C(C)CN;AORNVPYBOACYKS-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377042;MM377042;C#CCC(=CC)CC#CC;VRWVDAUOICWXOV-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377043;MM377043;C#CC(CCC)C(C)CF;MNDWFHDGVBLDJD-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377044;MM377044;C#CCC(=CF)CC#CC;IJHNFQLACIOPTH-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377045;MM377045;C#CC(CCN)C(C)CF;IHAQJMWSMHDGLS-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377046;MM377046;C#CCC(CC#CC)=NN;SXQGEJZLLGGMEP-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377047;MM377047;C#CC(CCF)C(C)CF;SWIDCSDUZFOXNQ-UHFFFAOYSA-N;146.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377048;MM377048;CC=CC(=CC)CCCC;GNTNBTFYQWUZAK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377049;MM377049;C#CC(CCF)C(N)CN;RBOYIMNEUQVSTQ-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377050;MM377050;CCC1CC2C(O)C2(C)C1;ZSRHTXIWUOFPBP-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377051;MM377051;C#CC(CCC)C(N)CF;VJMRBFIWUWVQDZ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377052;MM377052;CC=CC(=CC)CCCF;AVNMTRPBHGAPRW-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377053;MM377053;C#CC(CCN)C(F)CC;XFBDXROGLSIELB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377054;MM377054;CC=C(C=CF)CCCN;YKWSABHFBLXRQE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377055;MM377055;C#CC(CCF)C(F)CC;CYCXFSUMTMBCSV-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377056;MM377056;CC=C(C=CF)CCCF;AREKJGXUGOKAJF-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377057;MM377057;C#CC(CCC)C(F)CN;YYXBIMOIKYUPSW-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377058;MM377058;CC=CC(=CF)CCCC;YYFWFORFFJYOLJ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377059;MM377059;C#CC(CCC)C(F)CF;GYAXFUQTPLZMPL-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377060;MM377060;CC=CC(=CF)CCCN;OCJGKFCRKKXENI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377061;MM377061;C#CC(CNC)C(C)CC;ROYORBRWLBRFOG-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377062;MM377062;FC=CC(=CF)CCCF;LYYBBYFTYHELCY-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377063;MM377063;C#CC(CCC)C(C)NC;IMVODNJERFZCKK-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377064;MM377064;CC=C(C=CF)CCNC;MJOBJQMSDLYERF-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377065;MM377065;C#CC(NCC)C(C)CO;LBBBWVYYYPDSQT-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377066;MM377066;CC=CC(=CF)CCNC;PUUXBGLVSVLPII-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377067;MM377067;C#CC(NCC)C(C)CF;IKCRDHABKPLAJQ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377068;MM377068;CNCCC(C=CF)=CF;VGNBVMFZUJURPH-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377069;MM377069;C#CC(OCC)C(N)CN;QQODXTGTNZZSKR-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377070;MM377070;CC=C(C=NN)CCCF;DMBAPRHYTARZSW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377071;MM377071;C#CC(OCC)C(N)CO;AMTIRDQELWRAIE-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377072;MM377072;CC=C(C=NO)CCCN;MIWDFRLYYIPJCU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377073;MM377073;C#CC(OCC)C(O)CC;TZVJGLSQGOTJEG-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377074;MM377074;NC=C(C=NO)CCCN;ZEELCNUJWTZZJA-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377075;MM377075;C#CC(OCC)C(O)CO;AAWVBNKSUGPHIY-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377076;MM377076;CNCCC(C=NN)=CN;SDTGKSXNXHVPTE-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377077;MM377077;C#CC(OCC)C(C)OC;OQWONRMJHLNJOS-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377078;MM377078;CNCCC(C=NO)=CN;RRBYXKSHZKEBRF-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377079;MM377079;C#CC(CC=O)C(C)CC;CKRODHYLBGZQRX-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377080;MM377080;NN=C(C=CF)CCCF;NKGNDPFUPZHMTQ-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377081;MM377081;C#CC(CC=C)C(C)CN;JNKPIDRBKKTZSL-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377082;MM377082;CC=CC(CCCF)=NO;OESMFZWTERZPIV-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377083;MM377083;C#CC(CC=C)C(C)CF;QZGANMFLDSGXJQ-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377084;MM377084;ON=C(C=CF)CCCF;VPUZALHYQJVCGX-UHFFFAOYSA-N;149.14;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377085;MM377085;C#CC(CC=O)C(C)CF;QSPOYDWLPGMYDT-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377086;MM377086;CC=CC(CCOC)=NN;VVTZOFBDJSQCIF-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377087;MM377087;C#CC(CC=C)C(N)CC;OKHATQLGXYZWAE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377088;MM377088;CC=CC(CCOC)=NO;CEEHDGMTIHPPEV-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377089;MM377089;C#CC(CC=O)C(O)CO;WNMJFSNNDTXCHV-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377090;MM377090;NCCCC(C=NO)=NO;MBLOQMAAKIBOBT-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377091;MM377091;COCCC(C=NO)=NN;LFWCJYMASZKFOB-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377092;MM377092;C#CC(CC#N)C(O)CO;BWTUKUXHPCONOC-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377093;MM377093;COCCC(C=NN)=NO;PQWQMAPLFRCUCC-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377094;MM377094;C#CC(CC=O)C(O)CF;YXKFPYFMMHWIDP-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377095;MM377095;CC=CC(=CC)CNCC;MYTZFBGALKPXFA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377096;MM377096;C#CC(CC=C)C(F)CF;HPVRLRWDKQMKIX-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377097;MM377097;CC=C(C=CF)CNCC;ACXKXVTVFJGWJM-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377098;MM377098;C#CC(CC=C)C(C)NC;KCOBZLPNJSVPIH-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377099;MM377099;CC=CC(=CF)CNCC;JEFIHOVLVMDENQ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377100;MM377100;C#CC(CC=O)C(C)OC;PNJJZLASQZDMOL-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377101;MM377101;CCNCC(=CC=N)NN;UZGUJAOHVYJGHR-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377102;MM377102;C#CC(NC=N)C(N)CN;SPQVVDMGRPXXKE-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377103;MM377103;CCNCC(=CC=N)NO;JOANYAUBEXOZHV-UHFFFAOYSA-N;143.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377104;MM377104;C#CC(NC=N)C(N)CF;DKPXHXSITRZOJE-UHFFFAOYSA-N;143.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377105;MM377105;CC=CC(=CC)COCC;DLAVWNDXYNXECR-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377106;MM377106;C#CC(NC=N)C(O)CC;LQPPJVOVKARWRR-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377107;MM377107;CC=CC(=NCCC)NC;MTBLEOAHSHUWLO-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377108;MM377108;C#CC(NC=N)C(O)CO;IEPBULMRBGCIME-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377109;MM377109;NC=CC(=NCCN)NO;LZZYWOPIGVINQE-UHFFFAOYSA-N;144.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377110;MM377110;C#CC(NC=O)C(O)CO;VXUQKROMWYKIJX-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377111;MM377111;C=CC#Cc1cc(N)c[nH]1;CBMXTRHJCUKPPA-UHFFFAOYSA-N;132.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377112;MM377112;C#CC(NC=N)C(O)CF;FKSNSPUIWOABBJ-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377113;MM377113;CNC(=NN)N(C=O)OC;MHVVJXVUFDGZHU-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377114;MM377114;C#CC(NC=O)C(O)CF;ABWABIOTQCDACJ-UHFFFAOYSA-N;145.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377115;MM377115;CCCN=C(C=NN)NC;FQYSIPXJLHGIDO-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377116;MM377116;C#CC(NC=O)C(F)CC;IMINWEMVQNVQOX-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377117;MM377117;CNN=CN=C(NN)OC;CGFVUGNERCQRGV-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377118;MM377118;C#CC(NC=N)C(F)CO;YZIDRPQCXIRSAG-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377119;MM377119;CNN=c1onc(NC)o1;CGLBCDWVDIVBGD-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377120;MM377120;C#CC(NC=O)C(F)CO;HHBPGEQWAFKERS-UHFFFAOYSA-N;145.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377121;MM377121;NN=CC(=NO)NCCO;ZMARBVNKZJOPDZ-UHFFFAOYSA-N;146.15;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377122;MM377122;C#CC(NC=N)C(F)CF;QBJLVRMECLFOIC-UHFFFAOYSA-N;146.14;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377123;MM377123;NN=CC(=NO)NCCF;ONFCLVCWIRWTOS-UHFFFAOYSA-N;148.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377124;MM377124;C#CC(NC=O)C(F)CF;KROYDHZUCDQFSG-UHFFFAOYSA-N;147.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377125;MM377125;OCCN=C(C=NO)NO;DHLFZBIMCBSCLX-UHFFFAOYSA-N;147.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377126;MM377126;C#CC(=C)C1CC1(C)O;HCHLGYXJZASNMY-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377127;MM377127;CCCn1cc(NC)nn1;ZLNMWRIAFBZPCH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377128;MM377128;C#CC1=CC(C)(O)CC1;PSBRZXCWOSOTEW-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377129;MM377129;C#CCn1cc(NC)nn1;ZMIWIOBOPZNWNH-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377130;MM377130;C#CC(NC=N)C(C)OC;HNQWCLRTVVABMX-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377131;MM377131;C#Cc1cc(NCC)c[nH]1;KDJMCLXJWRZAHW-UHFFFAOYSA-N;134.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377132;MM377132;C#CC(NC=O)C(C)OC;CZIMCRVPJBKGPY-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377133;MM377133;CC#Cc1cc(NC)c[nH]1;SBLBKDXMSJYGEQ-UHFFFAOYSA-N;134.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377134;MM377134;C#CC(OC=C)C(N)CC;POWGUIBKMRNVIA-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377135;MM377135;CCON=C(C=NO)NC;RKSKVGBGZPFRLF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377136;MM377136;C#CC(OC=O)C(N)CO;ULOPNWWPAHKIAT-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377137;MM377137;CCN1CC1C(C=O)OC;OXBNNRHLEDVLQN-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377138;MM377138;C#CC(OC=O)C(O)CN;MDZDAJIDVFXAQI-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377139;MM377139;C=CC1=NN=C(CC)NO1;JYDLCMYPBQFTLV-UHFFFAOYSA-N;139.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377140;MM377140;C#CC(OC=O)C(O)CF;LCSQBLPLIGLDBS-UHFFFAOYSA-N;146.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377141;MM377141;CC=CC(=CC)OCCC;DIONETUJDMHEHD-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377142;MM377142;C=CC(C)CC(O)C=C;DSSZULQHKROUDK-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377143;MM377143;CCC1CC2C(C=O)N2C1;SGMRHTKMVGXPQK-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377144;MM377144;C=CC(C)=CC(O)CC;HMRCKIFEYCFDLJ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377145;MM377145;NC=C(C=NO)OCCN;HXZQDBNGEKKXQJ-UHFFFAOYSA-N;145.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377146;MM377146;C#CC1CC(C)(CO)C1;BRMOJWPCDBNAJM-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377147;MM377147;NC=C(C=NO)OCCO;LAIZDOLZSXGMDN-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377148;MM377148;C#CC(OC=C)C(C)OC;ZTNFXKAQIALSIV-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377149;MM377149;COCOC(C=NO)=CN;ATTNLIDHECQXQO-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377150;MM377150;C#CCC(C)(C)O;BXOJBMSEIGMKSS-UHFFFAOYSA-N;98.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377151;MM377151;CC(C)CCC1(O)CC1;ZEPSUAFMMKHQJW-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377152;MM377152;NC=CC(=NO)OCCN;IDYXOLAESVMWNF-UHFFFAOYSA-N;145.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377153;MM377153;C#CC(CC=C)N(C)CC;LZKWHSYDFGSSKX-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377154;MM377154;CCC1CC1(C)O;WESGBEWHILMIMJ-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377155;MM377155;C=CCCC(O)C=CC;CMKXPOHMMWHJSS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377156;MM377156;C=CC(C)CC(C)O;RKXRAFMFAMIVLI-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377157;MM377157;C#CCC(C#C)C(N)CO;ZONQRHMQRBTAGU-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377158;MM377158;NN=C(C=NO)OCCO;PKSKHZOPGHLKMG-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377159;MM377159;C#CCC(C#C)C(O)CN;QLMGRCRTOIYZFJ-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377160;MM377160;NN=CC(=NO)OCCO;XLJLINHVOGHDSO-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377161;MM377161;C#CCC(C#C)C(C)NC;WNSYZRDZIUYTBZ-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377162;MM377162;C=CCC1CC1(C)O;ZAZSFFYDOTZOLB-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377163;MM377163;C#CC(CCN)C(C)C=C;NJOUVUCSFCITOI-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377164;MM377164;COCOC(C=NO)=NN;GPQUCTTZVUDOHY-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377165;MM377165;C=CC=CC(O)CCC;UEDJZXZYHHNVSB-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377166;MM377166;COCOC(C=NN)=NO;BKQGQYLXCVFTFD-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377167;MM377167;C#CC(CCO)C(C)C#N;HDSNXFGGXLXDNZ-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377168;MM377168;C=CCCC(C=CC)=CC;CSZAKWGZTFITID-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377169;MM377169;C#CC(CCF)C(C)C=O;HQNBRTRJOYRVJR-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377170;MM377170;CC=CC(=CC)CCC=O;DIPFIIGLUYWLAT-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377171;MM377171;C#CC(CCF)C(N)C=C;HEDVHOQEHDGOJH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377172;MM377172;CC=CC(=CC)CCC#N;HOCFFIBDXKMPMB-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377173;MM377173;C#CC(CCO)C(O)C#N;GQZDRYUBMJMOOI-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377174;MM377174;CC=CC(=CF)CCC=O;AJEBEEJAEIKJBP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377175;MM377175;C#CC(CCC)C(F)C#N;XUCLIXDJHXUIQN-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377176;MM377176;O=CCCC(C=CF)=CF;CJMWJDTWKDRGTQ-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377177;MM377177;C#CC(CNC)C(O)C#N;FNXUQGCPBKUZIV-UHFFFAOYSA-N;138.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377178;MM377178;CC=C(C=NO)CCC=O;VXGRCMNKYAMALL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377179;MM377179;C#CC(COC)C(C)C#N;AHBINNFNQLNOKW-UHFFFAOYSA-N;137.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377180;MM377180;CC=CC(CCC=O)=NO;SFWDPZMVUQXYNW-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377181;MM377181;C=CC1(C)C(C)C1CO;VKDMNWKDHUNUTR-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377182;MM377182;CC=CC(=CC)CNC=N;KXCICELYDKSNAU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377183;MM377183;C#CC(OCC)C(C)C#N;OYDBIPXIOFWPGF-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377184;MM377184;CC=CC1(O)CCC1;VRBUFGNMLRUKKN-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377185;MM377185;C#CC(OCC)C(O)C=O;UZTUWQOIKIJRIG-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377186;MM377186;CC=C(C=CF)CNC=N;ITJUUAHLYUSTHM-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377187;MM377187;C#CC(CCN)N(C)C=N;VXHYIDKCCGZDIJ-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377188;MM377188;N=CNCC(C=CF)=CF;XUWNEACGZVOOPG-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377189;MM377189;C#CC(CCO)N(C)C=N;ABIVALFEYBSKRF-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377190;MM377190;C=NNCC(C=CC)=CC;OVPQVRXCVYJIIW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377191;MM377191;C#CC(CCO)N(C)C=O;MGICMPKQSUIPKB-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377192;MM377192;C=NNCC(C=CF)=CC;WADYKFHYLFLZEM-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377193;MM377193;C#CC(CCC)N(N)C=O;DPHMSVANANZQRF-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377194;MM377194;CC12CC=CC1C2O;RHGVYNMIXJJGET-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377195;MM377195;C#CC(CNC)N(C)C=O;GURRTINNODJBHY-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377196;MM377196;CC=CC(=CC)COC=O;CEDWNRLMIVGIBE-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377197;MM377197;C#CC(CC=C)C(C)C=C;CFRUTDMHAYXWTK-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377198;MM377198;CC=CC(C)CC(C)O;GIDOUKNJXPWMLI-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377199;MM377199;C#CC(CC=O)C(C)C=C;WDMYSIDFXVCAEY-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377200;MM377200;C=CCN=C(C=CN)NN;UMKFLVWTUXTNNV-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377201;MM377201;C#CC(CC=C)C(C)C=O;ZEIQPVYUZDTLDR-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377202;MM377202;CC(O)CC(C)C=CF;FNXRROQVKVZXPS-UHFFFAOYSA-N;132.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377203;MM377203;C#CC(CC=O)C(C)C=O;QSOVKKYEWUSVAP-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377204;MM377204;CC=C1C=CC(C)(O)C1;PSWZWHAJYPAPPY-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377205;MM377205;C#CC(CC#N)C(C)C#N;WGBSZDGMGKYPLB-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377206;MM377206;N#CCN=C(C=NO)NO;ZYUTWGKAZDAWAY-UHFFFAOYSA-N;142.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377207;MM377207;C#CC(CC=C)C(N)C=C;AADDZXZKXDAQGN-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377208;MM377208;CC=CC(=NN)NNC=N;QNDMGACOTBQCFY-UHFFFAOYSA-N;141.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377209;MM377209;C#CC(CC=O)C(O)C=O;JJPFOXAQFMWLDM-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377210;MM377210;CCC1(C)NC1C(C)=O;IOHPHWMWEHWVFT-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377211;MM377211;C#CC(NC=N)C(C)C=C;VKQWTGBYJONDEZ-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377212;MM377212;CC=CCC1CC1(C)O;ZSQGZOGBPFKEAC-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377213;MM377213;C#CC(NC=N)C(C)C#N;OSHNDCGVEKKFQB-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377214;MM377214;CC1(O)CC1CC=CF;PVLPODMMLRXXCA-UHFFFAOYSA-N;130.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377215;MM377215;C#CC(NC=O)C(C)C=O;QSFXPJVGMBWAJR-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377216;MM377216;NN=CC(=NO)NOC=O;XCNJWWWJIXIHDV-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377217;MM377217;C#CC(NC=O)C(N)C=C;DEWFKBWGYOICMH-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377218;MM377218;O=CONC(C=NO)=NO;HEYUXNBKKUQJFT-UHFFFAOYSA-N;147.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377219;MM377219;C#CC(NC=N)C(O)C#N;RSRXZRJHUGWQAV-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377220;MM377220;CC=CC(=CF)OCC=O;HRYRUYWGALJQME-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377221;MM377221;C#CC(NC=O)C(O)C=O;AEJBLQMKJWYFLW-UHFFFAOYSA-N;141.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377222;MM377222;N#CCOC(C=NO)=CN;FUKBHAPWZLUAII-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377223;MM377223;C=CCC1CC1(O)C=C;IPGMNQDEZBBAJP-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377224;MM377224;N#CCOC(C=CN)=NO;KEHMOLVSICOXAF-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377225;MM377225;CC(=NN)N(N)C=NN;ODKRVXWAUMOSEK-UHFFFAOYSA-N;130.16;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377226;MM377226;C#CC(OC=O)C(F)C=C;UXOQQLMRRFVJCX-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377227;MM377227;C=CCOC(C=NN)=NO;YVYNTWIXDIYOJG-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377228;MM377228;C#CC(OC=C)C(F)C=O;BQZKHYJTZOZEPY-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377229;MM377229;NN=C(C=CF)ONC=O;UGWBVGWBHSZJHB-UHFFFAOYSA-N;147.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377230;MM377230;N#CC12CC(=O)C(C1)N2;XXVXFAZVWFOZIM-UHFFFAOYSA-N;122.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377231;MM377231;NN=CC(=NN)ONC=O;ODFRWQJJOVBHPS-UHFFFAOYSA-N;145.12;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377232;MM377232;C=C1C(C)=CCC1CO;PWCVZTNEKBOCKG-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377233;MM377233;C#CCCC(C=CC)=CC;KGWYNIDSZWBKSY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377234;MM377234;NN=C1C=C(CF)CC1;OPBCHSXVCWBBDO-UHFFFAOYSA-N;128.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377235;MM377235;C#CC(CC=C)N(C)C=N;DTCGRQTZXLSQFK-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377236;MM377236;C#CCCC(C=CF)=NN;QESVXAQHQDTOLN-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377237;MM377237;C#CCC(C#C)C(C)C=C;HPPXHABSYYSELE-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377238;MM377238;C#CCCC(C=CC)=NO;FYFJSCHQKYPBPA-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377239;MM377239;CCc1cc(NC)no1;GXXNVJDKSMGITP-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377240;MM377240;C#CCCC(C=NO)=NN;OHBWBTRSRIJUTL-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377241;MM377241;C#CCC(C#C)C(O)C#N;AVEFMSXKWSEUKN-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377242;MM377242;C#CCCC(C=NN)=NO;XDEOJILINDUBFK-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377243;MM377243;C#CCC(C#C)N(C)C=N;XKSSDOAAOPMOST-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377244;MM377244;C#CCCC(C=NO)=NO;XPLIEBDJCIKBAP-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377245;MM377245;C#CCC(C#C)N(C)C=O;DHGQDDMBLDINET-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377246;MM377246;C=CC(F)C(C)=NOC;MHESINNOSYVHLC-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377247;MM377247;C#CC(C)C(C#C)CCF;ANXZFLJUBKKKIE-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377248;MM377248;C#CCNC(C=CF)=NO;VTWZHNJRVOPWMG-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377249;MM377249;C#CC(N)C(C#C)CCC;XAGQZICYBGZVRO-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377250;MM377250;C=CN(C=NN)C=NN;BDYVRIZWFRYALU-UHFFFAOYSA-N;127.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377251;MM377251;C#CC(N)C(C#C)CCN;JXZUIWJHTKUOTO-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377252;MM377252;C#CCOC(C=CC)=CC;QRKRUKFHDQTTCK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377253;MM377253;C#CC(N)C(C#C)CCF;UMNKCCSNXHRKFT-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377254;MM377254;C#CCOC(C=NO)=CN;HLDCJDCMXQKDHZ-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377255;MM377255;C#CC(N)C(C#C)COC;SFATVOMUMNQHKS-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377256;MM377256;CC=CCC(C=CC)=CC;KBEBGGIIDKCEND-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377257;MM377257;C#CC(F)C(C#C)OCC;KXVRLFSDQKVDQA-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377258;MM377258;CC=CC(=CC)CC=CF;UORZSPMFYRPYMN-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377259;MM377259;C#CC(C)C(C#C)CC=C;JJUCAUIVOLKHAO-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377260;MM377260;CC=CCC(C=CC)=CF;ZBDIFMMFXNGREI-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377261;MM377261;C#CC(C)C(C#C)CC=O;MOSMOLRFQSJJDH-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377262;MM377262;CC=CC(=CF)CC=CF;NGVBAYVTVPYJEY-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377263;MM377263;C#CC(N)C(C#C)CC=C;RTNIFLGAZLHGEH-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377264;MM377264;CC=CC(=CC)CC=NO;SMBKFIQEQKIKQL-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377265;MM377265;C#CC(O)C(C#C)CC=C;GYZMVJKCGPZJCH-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377266;MM377266;CC=C(C=CF)CC=NN;ZJGLTTJKTFRSJP-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377267;MM377267;C#CC(=O)N=CN1CC1;DIUVMFGFKXHLDI-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377268;MM377268;CC=CC(=CF)CC=NO;LGUADBDTBOZYBH-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377269;MM377269;C#CC(C)C(C#C)OC=O;YWIRPKQMSCKJDV-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377270;MM377270;CC=CCC(C=NN)=CC;ZJQPHNAAHXVLJC-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377271;MM377271;C#CC(C)C(C#C)ON=C;GSEZARBSGXPZHP-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377272;MM377272;NN=C1CC(F)=C(F)C1;NUOCDTVNFIQXIE-UHFFFAOYSA-N;132.11;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377273;MM377273;C=C(CN)C(CC)CCN;RGMRHTSTLLUUOR-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377274;MM377274;CC=CC(CC=NN)=NN;KVKMZDUGWIHUOI-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377275;MM377275;C=C(CN)C(CC)CCF;DLTVINYVUKMPPR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377276;MM377276;COc1nc(N)c(N)o1;IKTJXGJVZAEUAV-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377277;MM377277;C=C(CC)C(CN)CCO;ARYSTXSDDCXVJR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377278;MM377278;NN=CC(CC=NO)=NO;YXXNDUPNBXTAMV-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377279;MM377279;C=C(CC)C(CN)CCF;QYTKBKIKUJZQLR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377280;MM377280;CC=CC(=CC)N=CNN;QWWGYTXGJNYFHM-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377281;MM377281;C=C(CN)C(CN)CCC;MASQIOOKYCFOIJ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377282;MM377282;CN=CNC(C=NO)=CN;WDWPRZCDXSJMHZ-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377283;MM377283;C=C(CO)C(CN)CCF;JZJMKCRQOVNXTR-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377284;MM377284;CC=CC(=NC)NC=CF;CNLFZKQJQWQKCX-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377285;MM377285;C=C(CN)C(CO)CCC;FDIBILIYZOUQAI-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377286;MM377286;CC=CN=C(C=CN)NC;NJBQBSDZEIHVGH-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377287;MM377287;C=C(CN)C(CO)CCF;JTCCCNYRYJIBLW-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377288;MM377288;CC=CN=C(C=CN)NN;LJNCCYJERHDLJL-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377289;MM377289;C=C(CC)C(CF)CCF;DAPVJILSAWHLII-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377290;MM377290;C=Cc1cc(C)c(N)[nH]1;VKTBURLUBOBZID-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377291;MM377291;C=C(CF)C(CF)CCN;VGPGPXQTVUELKW-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377292;MM377292;C#Cc1cc(N)c(C)[nH]1;NXCBAZBPKGOHKX-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377293;MM377293;CCCC(CO)C(=O)CF;YUSAIQYSVSCAQD-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377294;MM377294;NC=CC(=NC=NO)NN;BUGCJUWYPNIBPW-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377295;MM377295;CCCC(CF)C(=O)CF;QXQYHJONWVRCOC-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377296;MM377296;C#CCC1CCC(O)C1;JDHXPAPDMLTYIA-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377297;MM377297;O=C(CF)C(CF)CCF;UCZHKTDAGAGEPE-UHFFFAOYSA-N;154.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377298;MM377298;C=C1CC2CC2(CO)C1;KZYRZCNBWCZYJP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377299;MM377299;C=C(CC)C(CF)CNC;ILSNEGVPBSYGTK-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377300;MM377300;COc1n[nH]c(C)c1N;KRMUFKTVDVQPTP-UHFFFAOYSA-N;127.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377301;MM377301;C=C(CN)C(CF)CNC;BBMDJCLXCOOWIU-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377302;MM377302;C#CCC1CC1C(C)O;OZXARVBGKDONGC-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377303;MM377303;C=C(CF)C(CF)CNC;FBCCIAPVZLVZOB-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377304;MM377304;C#Cc1cc(NC)c[nH]1;CENZLLLIXYVUBI-UHFFFAOYSA-N;120.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377305;MM377305;CCC(CNC)C(=O)CO;HORXXDLMOCXMCP-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377306;MM377306;C=C1CCC2(CO)CC12;VYTCMDAOHFTJME-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377307;MM377307;CCC(CNC)C(=O)CF;QWPKRXGKKHYJIP-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377308;MM377308;NN=C(C=NO)N=CNN;VMIZRAXHXGHBCC-UHFFFAOYSA-N;144.14;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377309;MM377309;CCCC(CC)C(=N)NO;VNMHFQAPCIZACE-UHFFFAOYSA-N;144.22;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377310;MM377310;NN=CN=CNC=NN;DHLHGZXOZFALPU-UHFFFAOYSA-N;128.14;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377311;MM377311;CNC(=N)C(CO)CCO;HMBDCCIWIRUYRX-UHFFFAOYSA-N;146.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377312;MM377312;C=CC1C(O)C1C1CC1;GXXSKADSUHMCCP-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377313;MM377313;N=C(NO)C(CO)CCO;WNTZGBXJDYPTRM-UHFFFAOYSA-N;148.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377314;MM377314;C=C(C)C(C)=CC(C)(C)O;FFWYGXOEMPANJU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377315;MM377315;N=C(NN)C(CF)CCF;KBSHALFFGSKZFE-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377316;MM377316;CC=COC(C=CC)=CC;APNICQBAJBACOA-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377317;MM377317;N=C(NO)C(CF)CCF;JPDHSZYDCLKQIH-UHFFFAOYSA-N;152.14;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377318;MM377318;CC=CC(=CC)OC=CF;TVEDAVRRGVZIBX-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377319;MM377319;CCC(CCN)C(=O)NC;LKEPUDSQCVEXNK-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377320;MM377320;NC=C(C=NN)OC=CF;ZZCCPCQIWWRWQJ-UHFFFAOYSA-N;145.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377321;MM377321;CCC(CCF)C(=O)NC;POFVDPXESFLXBX-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377322;MM377322;CC=COC(C=NO)=CN;MQOARHIKXKDTAU-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377323;MM377323;OC1(CCC2CC2)CC1;GXLLJHLMMIXZAZ-UHFFFAOYSA-N;126.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377324;MM377324;NC=C(C=NO)OC=CF;RWXXVAPGSSBLFY-UHFFFAOYSA-N;146.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377325;MM377325;CC(C#N)N1CC1C=O;MWLPIDJZRBBPNU-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377326;MM377326;CC(O)CC(C)C=C(F)F;MJIIIEOKGNSFHB-UHFFFAOYSA-N;150.17;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377327;MM377327;CCCC(CC)C(=O)NO;ZSCPOCIBTXEOQM-UHFFFAOYSA-N;145.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377328;MM377328;C=CC(=CC(C)(C)O)CC;SKAUELKPKLKBQU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377329;MM377329;CCC(CCF)C(=O)NO;ASKOESAYUUPVJE-UHFFFAOYSA-N;149.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377330;MM377330;CCCC(CN)C(=O)NC;BGOYOHQRWXTXAS-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377331;MM377331;CC(O)CC(C)C=CC#N;KJHNBPNCLYHLPD-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377332;MM377332;CCCC(CF)C(=O)NC;HBFYVWVRZLGQAJ-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377333;MM377333;NC=CC(=NO)OC=CF;DBFIQYXZTBRFHF-UHFFFAOYSA-N;146.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377334;MM377334;CC(C(=O)C#N)C1CN1;NVQNATGVDSKZSV-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377335;MM377335;NN=C(C=CF)OC=NO;SHSBNXRLUBTCRR-UHFFFAOYSA-N;147.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377336;MM377336;O=C(NO)C(CF)CCF;CRDLIRFORBPWJR-UHFFFAOYSA-N;153.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377337;MM377337;CC=CC(=NO)OC=NN;UUGWYGBIYDOKHS-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377338;MM377338;CCC(CNC)C(=N)NC;NXTZHXFVNJINNK-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377339;MM377339;NN=CC(=NN)OC=NO;ZKMBXVXFHXYCOG-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377340;MM377340;CNCC(CO)C(=O)NN;ITXXFOFLMKAXBK-UHFFFAOYSA-N;147.18;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377341;MM377341;NN=COC(C=NN)=NO;RSRNPXMFDFZUJJ-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377342;MM377342;CNCC(CO)C(=O)NO;RCPLCUJJEMCCCM-UHFFFAOYSA-N;148.16;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377343;MM377343;CC#CC(C)C1CC1(C)O;NIFMPQJFGCUBEX-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377344;MM377344;COCC(CO)C(=N)NN;SYHFSUZBZKUCID-UHFFFAOYSA-N;147.18;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377345;MM377345;CC#CCC(C=CC)=CC;CDWGJIJYKLXUPD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377346;MM377346;COCC(CO)C(=N)NO;AQPOLMGQTZBRNL-UHFFFAOYSA-N;148.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377347;MM377347;CC#CCC(C=CC)=CF;XCNDDJXTVGKEPK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377348;MM377348;C=NN=C(NN)C(C)(C)F;VENPSPVMLKXANK-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377349;MM377349;CC#CCC(C=NN)=CC;DMAGZJQAXWSABV-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377350;MM377350;COCC(CO)C(=O)NO;IQPFSPKPIAOLLO-UHFFFAOYSA-N;149.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377351;MM377351;CC#CCC(C=NO)=CC;BUTOOZIEVJWRFS-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377352;MM377352;CCCC(CN)C(=O)OC;XKSDBHSCRDECIK-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377353;MM377353;CC#CCC(C=CC)=NO;SONQUHYTUWWOAX-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377354;MM377354;COC(=O)C(CN)CCF;PFWAHWZEEVWQRI-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377355;MM377355;CC#CCC(C=NN)=NO;BUTQMTFIEBMCGW-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377356;MM377356;COC(=O)C(CO)CCO;AYVLUZFGXKPCHG-UHFFFAOYSA-N;148.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377357;MM377357;CC#CC(=CC)CCCC;UPYYAFHGYGSDMA-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377358;MM377358;COC(=O)C(CF)CCF;SXIVCHVHKTULIQ-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377359;MM377359;CC#CC(=CC)CCCN;XLOHKBHZCBVKCV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377360;MM377360;C=C(OC)C(CF)CNC;PCRQJUMMXWKBHH-UHFFFAOYSA-N;147.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377361;MM377361;CC#CC(=CC)CCCO;PSCOLEGFSNAPOR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377362;MM377362;COCC(CO)C(=O)OC;BMIVGNARCWDLMQ-UHFFFAOYSA-N;148.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377363;MM377363;CC#CC(=CC)CCCF;KDJCLVLYQMQKMT-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377364;MM377364;C=C(CC)C(CCC)NC;XDJGBYLITHUFKV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377365;MM377365;CC#CC(=CF)CCCO;USPFNMNNGKBIMW-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377366;MM377366;C=C(CC)C(CCF)NC;KQRGAIFVTQMPPS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377367;MM377367;CC#CC(=CF)CCCF;OMQAXCMNKYFYIW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377368;MM377368;C=C(CN)C(CCC)NC;SSUWCRUNGMEPBN-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377369;MM377369;CC#CC(=CC)CCNC;SEWQQKOTZCPEID-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377370;MM377370;C=C(CO)C(CCN)NC;OVZFFIQOQOZNRS-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377371;MM377371;CC#CC(=CF)CCNC;JGQDUECWQFCORQ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377372;MM377372;C=C(CF)C(CCF)NC;BIWQNPGNXMFJBT-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377373;MM377373;CC#CC(=CC)CCOC;GQPORVOHYXKXCS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377374;MM377374;CCCC(NC)C(=O)CC;NYOHVUKQXJGRHP-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377375;MM377375;CC#CC(CCCC)=NN;OMTCTJYYBKRODB-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377376;MM377376;C=C(CF)C(CNC)NC;SRUWBZKHUYDUJB-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377377;MM377377;CC#CC(CCCN)=NO;GABPVDKNHOGWFA-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377378;MM377378;CNC(=N)C(CCN)NC;BKJTYPDUMCYULI-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377379;MM377379;CC#CC(=CC)CNCC;GMWMDHZBZQFSQQ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377380;MM377380;CCCC(NC)C(=N)NN;XVYHQFVCRIDTCS-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377381;MM377381;CC#CC(=CF)CNCC;BNSPGXXGKTVOAL-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377382;MM377382;CNCC(NC)C(=O)NN;UTSJIVZQKQBYDB-UHFFFAOYSA-N;146.19;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377383;MM377383;CC#CC(=CC)COCC;UFVANCJSSHNSLW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377384;MM377384;C=C(OC)C(CCF)NC;PCCSCHGDIVUCPU-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377385;MM377385;CC#CC(=NCCC)NC;ZSWHLOCGLLGPIE-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377386;MM377386;C=C(OC)C(CNC)NC;XVYWCEGAIJHOEM-UHFFFAOYSA-N;144.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377387;MM377387;CC#CC(=NO)NCCF;SQNUDYZAMIOKBU-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377388;MM377388;COCC(OC)C(=O)CF;LAZWKRJWSCHITJ-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377389;MM377389;CCC=C1C=CC(C)(O)C1;FAKSMLUWZQYCFX-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377390;MM377390;CNC(=N)C(CCN)OC;QJSHYQFJOFZCKJ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377391;MM377391;CC#CC(=NOCC)NC;BXRZRVUPKATYJX-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377392;MM377392;CNC(=N)C(CCO)OC;RDUDSSMISMKJRB-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377393;MM377393;CC#CC(=CC)OCCC;IOBRMNGIGZBLMI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377394;MM377394;COC(CCO)C(=N)NN;BKCPITJKWRKIHY-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377395;MM377395;CC#CC(=CF)OCCO;QYYHUFSJBBNPIR-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377396;MM377396;COC(CCO)C(=N)NO;VUVQECMZJVSHEJ-UHFFFAOYSA-N;148.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377397;MM377397;CC#CC(=CF)OCCF;LFGLEPKDRRHFIC-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377398;MM377398;CNC(=O)C(CCO)OC;DSQJMKUYROQLLL-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377399;MM377399;CC(=O)C=NOC(=O)C=O;PCMOZIMQUSHKRL-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377400;MM377400;C=CC(O)CC(C)C=CC;SMMUYLJCNPOBIE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377401;MM377401;C=CC(=C)CC(O)C=CC;KILXSZHVBUNJNY-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377402;MM377402;C=CC(O)CC(C)C=CF;XQCHBMNSSNTWCJ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377403;MM377403;CC#CC(=NO)OCCN;HQDYXIMKQNHLKR-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377404;MM377404;COC(CCO)C(=O)NO;RBGBBULYZCBFBM-UHFFFAOYSA-N;149.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377405;MM377405;CC#CC(=NO)OCCF;DZZZNZBEYBPJKA-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377406;MM377406;CNCC(OC)C(=N)NC;WBJDXTRIWZQFBG-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377407;MM377407;CC#CC(=CC)CCC=O;ZHHFRQFQWXUIDC-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377408;MM377408;CNCC(OC)C(=O)NC;LXPWVTAZTZGKGF-UHFFFAOYSA-N;146.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377409;MM377409;C=CCCC(C#CC)=CF;VPLHGZUHKIUXBU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377410;MM377410;CNCC(OC)C(=O)NN;XQVFPICCHKTGRL-UHFFFAOYSA-N;147.18;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377411;MM377411;CC#CC(=CF)CCC#N;YLEARDZRLFLNEY-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377412;MM377412;COCC(OC)C(=N)NN;BYPYIYMWMSZDBV-UHFFFAOYSA-N;147.18;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377413;MM377413;CC#CC(CCC#N)=NO;DACDPKALGFXJBS-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377414;MM377414;CC=CC(C)=CC(O)CC;QQOYJKDCGSPFRG-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377415;MM377415;CC#CC(=CC)CNC=N;JRFFGYBCDWGUEN-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377416;MM377416;COCC(OC)C(=O)NO;HNQZBGFJSJBSBS-UHFFFAOYSA-N;149.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377417;MM377417;CC#CC(=CC)CNC=O;LFIFNJGBDFSVHY-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377418;MM377418;C=C(CN)C(CC)NCC;JZGIJZMVZTYXQM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377419;MM377419;CC#CC(=CF)CNC=N;WMLYFFZCDWMTQP-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377420;MM377420;C=C(CC)C(CN)NCC;GPLIMMNBKCMKEA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377421;MM377421;CC#CC(=CF)CNC=O;ROKPWOMOWJXNLR-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377422;MM377422;C=C(CN)C(CO)NCC;QODWJIAYQGASLQ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377423;MM377423;C=NNCC(C#CC)=CC;JZCOWNGVNAWWDP-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377424;MM377424;CCNC(CC)C(=N)NO;LIDZEVIAWPQQCX-UHFFFAOYSA-N;145.21;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377425;MM377425;C=NNCC(C#CC)=CF;VTPZEUASOHPUIE-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377426;MM377426;CCC(O)C=C(C)C=CF;RJIGFRSVOMXPTN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377427;MM377427;C=NNCC(C#CC)=NN;XRSLCTCYFUNWKS-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377428;MM377428;C=C(CC)C(CN)OCC;DLRYXXCOJJZPLR-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377429;MM377429;C=COCC(C#CC)=CC;KGFIKKYMVKGCHZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377430;MM377430;C=C(CN)C(CO)OCC;LGTWSSMISVPBAN-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377431;MM377431;CC#CC(=CF)COC=O;MCLXUIVAFZUFMO-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377432;MM377432;CCOC(CN)C(=N)NC;YGQWWBSHJJMCNE-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377433;MM377433;C=NOCC(C#CC)=CC;JGFAOBWNQDYVKD-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377434;MM377434;CCOC(CF)C(=N)NN;ZTZZOPRLFQISPS-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377435;MM377435;C=NOCC(C#CC)=CF;XLRWXBFQEDDHTQ-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377436;MM377436;C=C(CF)C(OC)OCC;NOPRXQABOBEHSP-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377437;MM377437;CC#CC(COC=O)=NN;ZKBPPHGJPPXAOI-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377438;MM377438;CCOC(OC)C(=O)CC;AXFJBHVRMJJAIM-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377439;MM377439;CC#CC(=NO)NCC#N;ACKKRPWIRDXJIM-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377440;MM377440;CCOC(OC)C(=O)CO;SWXQCAQAVRFOCS-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377441;MM377441;CC#CC(=NC)NNC=N;KUJHLGFMSVDQTI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377442;MM377442;C=C(OC)C(OC)OCC;NIMVAZVZYCQIEX-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377443;MM377443;CC#CC(=NN)NNC=N;YDVDYIUNXAAHSD-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377444;MM377444;CCC(=O)N(CC)CCO;WQTQMIJQVMAFIP-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377445;MM377445;CC#CC(=NO)NNC=N;JEOXCMGBANIDPW-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377446;MM377446;CCN(CCN)C(=O)CF;NFODEGQYCPZLHR-UHFFFAOYSA-N;148.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377447;MM377447;CC#CC(=NO)NNC=O;KVPQMEIQXYFHNK-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377448;MM377448;CCN(CCO)C(=N)NC;ORZUEGSSLQAWAQ-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377449;MM377449;CC#CC(=NC)NOC=O;WBIHTNUNEXRPTP-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377450;MM377450;CCN(CCF)C(=N)NC;NYKXAYHMMSDXHY-UHFFFAOYSA-N;147.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377451;MM377451;C#CCCC(C#CC)=CC;IBLASDFSHQJFFX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377452;MM377452;CCN(CCF)C(=N)NO;IUCAPERKORZVRY-UHFFFAOYSA-N;149.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377453;MM377453;C#CCCC(C#CC)=CF;WXYIMVBOBNMSHR-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377454;MM377454;CCN(CCF)C(=O)NO;GOZFYLKPLSRCKM-UHFFFAOYSA-N;150.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377455;MM377455;CCCN(CC)C(=N)OC;NLOPPUAOXZBAFT-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377456;MM377456;C#CCNC(C#CC)=NO;OOMJDUSNRIMAAD-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377457;MM377457;CCN(CCO)C(=N)OC;DAACFVXDEIYUFY-UHFFFAOYSA-N;146.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377458;MM377458;C=NN=C(C)NC(=N)CF;MDRJWKVRSIDFAW-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377459;MM377459;CCC(=N)N(CCF)NC;ACTLIKKFVFRZKJ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377460;MM377460;C#CCOC(C#CC)=NO;QVRIKFFMXVFBCI-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377461;MM377461;CCCN(NC)C(=N)CO;JRXKUUWDHBAGFU-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377462;MM377462;CC#CC(=CC)CC=CC;YMACGIMNLHLZIC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377463;MM377463;CNN(CCF)C(=N)CO;NRCMOOLGIJLMRG-UHFFFAOYSA-N;149.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377464;MM377464;CC#CC(=CC)CC=CF;KDXLAKSTYXWRNY-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377465;MM377465;C=C(F)CC(=O)N(C)NC;UTHLUQWIKRIBDR-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377466;MM377466;CC#CC(=CF)CC=CF;JAVNPGBOKGQCHY-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377467;MM377467;CCCN(NC)C(=N)NC;RTLUXFDWFGTFCI-UHFFFAOYSA-N;144.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377468;MM377468;CC#CC(=CC)CC=NN;ZNOJCNAHERFXJT-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377469;MM377469;CNC(=N)N(CCN)NC;QCPNHIMIGGIQKN-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377470;MM377470;CC#CC(=CF)CC=NN;VGTJUJOVYQQIOA-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377471;MM377471;CNC(=N)N(CCO)NC;NEAFZWZWSUVJIM-UHFFFAOYSA-N;146.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377472;MM377472;CC#CC(=CF)CC=NO;LBAMSDZHONIIRE-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377473;MM377473;CCCN(NC)C(=N)NO;WLWSCNLTRCMVKO-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377474;MM377474;CC#CC(CC=CF)=NN;SXCKIWIXTHXGEA-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377475;MM377475;CNC(=O)N(CCN)NC;CYFHHIBBIGBKMY-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377476;MM377476;CC#CC(CC=NO)=NO;NQKIUGSKOQEZQJ-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377477;MM377477;CC1(C)C(O)C1CCC#N;QNGHPNNDTWBWTH-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377478;MM377478;CC(C)C1C(C)C1(C)CO;COWVVXIMWWQYAR-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377479;MM377479;CC=CCCC(O)C=CC;HRCAJKWYOBVUIQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377480;MM377480;CC1(O)CC1CC=CC#N;LUGDSUCSVINIAB-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377481;MM377481;CC=CC=CC(O)CCC;RBVRGMZWZYVBKH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377482;MM377482;CC(O)C(C)CC#CCF;JSSXJVKLVUOBCC-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377483;MM377483;CC(=O)C(C)C=NN=CN;SJQCWBXGZIPNRP-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377484;MM377484;CCCC(O)C=CC=CF;BXVYMBZAOHBWSH-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377485;MM377485;CNN=C(N)C(=O)N(C)C;KIXJJJVKUFRCFQ-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377486;MM377486;CCCN(NC)C(=O)NO;SZUOZZYJXHJGNH-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377487;MM377487;CC#CC(=CC)OC=CC;MBCLTMCLSGYDNR-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377488;MM377488;CNN(CCF)C(=O)NO;LPBFTJCYHHHXOC-UHFFFAOYSA-N;151.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377489;MM377489;CC#CC(=CC)OC=NO;DVOFSJULWYUZMY-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377490;MM377490;CCCN(OC)C(=N)CN;GFHDIGGHEHNAAQ-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377491;MM377491;C#CCN(C=NN)C=NN;ADFXJJYKACATOC-UHFFFAOYSA-N;139.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377492;MM377492;CCCN(OC)C(=O)CO;SWEAIDYGCSWPFJ-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377493;MM377493;CC#CC(=CF)OC=NO;PAXAZBPGTKUHIA-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377494;MM377494;CNC(=N)N(CCN)OC;AURGOVNTNNERNZ-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377495;MM377495;CC#CC(=NO)OC=CC;FMUQTDNEHQMDNO-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377496;MM377496;CNC(=N)N(CCO)OC;OGEFDUPXTZMYAQ-UHFFFAOYSA-N;147.18;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377497;MM377497;CC#CC(=NO)OC=CF;DBFBTKCZBBRVSH-UHFFFAOYSA-N;143.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377498;MM377498;CON(CCO)C(=N)NN;GXYKKUIMXJIHSH-UHFFFAOYSA-N;148.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377499;MM377499;C=C(C)N(C=NN)C=NN;BTJMBXUMOORNST-UHFFFAOYSA-N;141.18;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377500;MM377500;CON(CCN)C(=N)NO;BKZMHQTVORGIEK-UHFFFAOYSA-N;148.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377501;MM377501;CC#CCC(C#CC)=CC;STSFPVHLNFIFCI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377502;MM377502;CNC(=O)N(CCN)OC;RKBFKZFMQPFWQI-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377503;MM377503;CC#CCC(C#CC)=CF;VPLANFSDLYLEQK-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377504;MM377504;CNC(=O)N(CCO)OC;VAECUASZPYEQMH-UHFFFAOYSA-N;148.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377505;MM377505;CC#CCC(C#CC)=NN;LKKSLYLNUBMMHM-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377506;MM377506;CNC(=O)N(CCF)OC;ZIKGUCVPISXNJD-UHFFFAOYSA-N;150.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377507;MM377507;CCCC(C=CCN)CC;NHQDEQUERSILLA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377508;MM377508;CNN=C(N)C(=O)COC;GPLSEWGHQMSHPO-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377509;MM377509;CCCC(C=CCO)CC;KXVAHUSOCKRZPG-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377510;MM377510;CC1=CC(O)CC(C)C1C;UVUACGWBGJPRMA-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377511;MM377511;CCCC(C=CCF)CC;OWFAAIDGYUEERF-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377512;MM377512;CON(CCN)C(=O)NO;IRSYSNQAUSINGY-UHFFFAOYSA-N;149.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377513;MM377513;CCC(C=CCN)CCF;VVCUKVWUCMXZIW-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377514;MM377514;CON(CCO)C(=O)NO;OYIYOUFVOPOHSN-UHFFFAOYSA-N;150.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377515;MM377515;CCCC(C=CCN)CN;IYNHELPNSGFIFB-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377516;MM377516;CON(CCF)C(=O)NO;RJBFDZXORVMPSJ-UHFFFAOYSA-N;152.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377517;MM377517;CCCC(C=CCO)CN;GHSFKIVTFKVMFB-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377518;MM377518;COC(=O)N(CCO)OC;SSTLNNFOLRQBBU-UHFFFAOYSA-N;149.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377519;MM377519;NCC(C=CCF)CCO;XDNAPXUMPBTZQA-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377520;MM377520;COC(=O)N(CCF)OC;HGTAIQHLVWROMA-UHFFFAOYSA-N;151.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377521;MM377521;CCC=CC(CN)CCF;ZETPYPYEVUKVFO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377522;MM377522;C=NN(C)CCC(=O)C#N;RWMHDNAIQHTESO-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377523;MM377523;NCCC(C=CCF)CO;FTUZMYUODYLUHV-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377524;MM377524;CCNN(CC)C(=O)NO;UHEGSZMVOBLTMS-UHFFFAOYSA-N;147.18;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377525;MM377525;CCCC(C=CCN)CF;SKTVTGHDYDEDGR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377526;MM377526;CCON(CC)C(=N)NC;OUXXCXOMIRXDMH-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377527;MM377527;NCC=CC(CF)CCF;LFGBIOGJEDIVMH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377528;MM377528;C#CC(=O)N=CN(C)CC;WKBNWQNGJLSOST-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377529;MM377529;CCCC(C=COC)CC;VSKBTRXLPURNMB-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377530;MM377530;CCON(CC)C(=O)OC;ZISAVWYACCMOOV-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377531;MM377531;CCC(C=CCN)CNC;BCMUTPFZBYAOEV-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377532;MM377532;CCC(C)CCC1(O)CC1;GENAWPANTAGPNQ-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377533;MM377533;CNCC(C=COC)CN;JEPYFQODUXPAIA-UHFFFAOYSA-N;144.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377534;MM377534;C=CCC(CN)C(=C)CO;UBBLPZDDAXUAHD-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377535;MM377535;CNCC(C=COC)CF;WPVJAHMMZSEURJ-UHFFFAOYSA-N;147.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377536;MM377536;C=C(CC)C(CF)CC=O;MNUKIKVDTQGQRU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377537;MM377537;COC=CC(CN)COC;ZXDJNNWGEOHGIO-UHFFFAOYSA-N;145.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377538;MM377538;C=CCC(CF)C(=C)CN;JOZBIDOMTORKMC-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377539;MM377539;CCC=CC(CCF)NC;INFPRHJPDRYRSN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377540;MM377540;C=C(CF)C(CF)CC=O;VVXCPUXWFJDRAK-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377541;MM377541;CNCC(C=CCF)NC;QBOFQNBLLFIEBD-UHFFFAOYSA-N;146.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377542;MM377542;CCC(CC#N)C(=O)CO;VSGHRRKBOVIHSX-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377543;MM377543;CNCC(C=COC)NC;JMWWNSOAQZJNEG-UHFFFAOYSA-N;144.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377544;MM377544;C=CCC(CC)C(=O)CF;MNAZNVOZZXTJKN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377545;MM377545;COC(C=CCO)CCF;ZYZXZKPYHQNZBL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377546;MM377546;C=CCC(CF)C(=O)CC;HSPBINFOYIXYFO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377547;MM377547;CNCC(C=CCO)OC;POBIPLZLQWLQMX-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377548;MM377548;C=CCC(CF)C(=O)CF;PJGXFNBBKQXONY-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377549;MM377549;CCCC(C=NNC)CC;AXZCCLPLKXWHET-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377550;MM377550;C=CCC(CC)C(=N)NO;DCMZUQPLVMKLLQ-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377551;MM377551;CCC(C=NNC)CCF;GAMPHXXCBXSZIV-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377552;MM377552;CC(=N)N(C=NN)C=NN;WGZVZDLTFPQIIA-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377553;MM377553;N#CCC(CF)C(=N)NO;RNJADPUPXFRBGX-UHFFFAOYSA-N;145.14;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377554;MM377554;CC(CF)CCC1(O)CC1;UQSPAXNCGINOPD-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377555;MM377555;CCCC(C=NNC)CF;HOEAIPPDALPXSI-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377556;MM377556;C=CC1(O)CC1CC=CC;OCEBIINKWXANTA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377557;MM377557;CCCC(=NNC)C(C)=O;PJIUIMLWIBQJJY-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377558;MM377558;C=CCC(CC)C(=O)NO;KCMXXCVMLZUPOF-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377559;MM377559;CC#Cc1cc(N)c(C)[nH]1;VDBXNJJCZUUKAE-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377560;MM377560;COC(=O)C(CO)CC#N;BQOHVKGQKWCYMD-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377561;MM377561;CNCC(C=NNC)NC;MZWFFDWCYUQRAL-UHFFFAOYSA-N;144.22;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377562;MM377562;C=CCC(CF)C(=O)OC;KDZRPFJWPAJVEO-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377563;MM377563;CNN=c1cnoc(N)n1;JTSOFEVKBKIRTB-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377564;MM377564;C=CCC(NC)C(=C)CC;YQQWJYXJFVHSPZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377565;MM377565;CNCC(C=NNC)OC;DUGMFMZEOBQVKN-UHFFFAOYSA-N;145.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377566;MM377566;C=C(CC)C(CC=O)NC;LELBRAXDESSVCA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377567;MM377567;CNCC(C=NOC)OC;BONYFVUFGSCTLQ-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377568;MM377568;C=C(CO)C(CC=O)NC;ZIXPXRIJQWEXOH-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377569;MM377569;CNN=CC(COC)OC;HRKWJYJKCIKNAH-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377570;MM377570;C=CC1(O)CC1CC=CF;WJFDTUSSHLEPIO-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377571;MM377571;CCNC(C=CCO)CC;SUIYCKXLBGKVGQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377572;MM377572;CNC(CC#N)C(=O)NO;OMQBWILQLWKLGF-UHFFFAOYSA-N;143.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377573;MM377573;CCNC(C=CCN)CO;AIHPAKHOHAAZLX-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377574;MM377574;CNC(CC#N)C(=O)OC;DKTFMGCZJPTXHP-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377575;MM377575;CCOC(C=CCO)CF;BPPYRDCJJNPXEK-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377576;MM377576;C=C(CF)C(CC#N)OC;JVRDQBLOXDKWMU-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377577;MM377577;CCOC(C=COC)OC;WRTKHOLWKVRTLN-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377578;MM377578;CCC(=O)C(CC#N)OC;MMUFYLOHUVOTIQ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377579;MM377579;CCN=CN(CC)CCF;NMGMGNYISMOZNK-UHFFFAOYSA-N;146.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377580;MM377580;CNC(=O)C(CC#N)OC;OLDJWKWPTNDHDX-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377581;MM377581;CCN(C=NNC)CCN;HNVGEFZRPREJDZ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377582;MM377582;C=CCC(OC)C(=O)NO;CMSVWYRQXUYVFR-UHFFFAOYSA-N;145.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377583;MM377583;CCCN(C=NCC)NC;FFGSKVBDJJENGR-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377584;MM377584;COC(CC#N)C(=O)NO;UEQLMVJIYQZJET-UHFFFAOYSA-N;144.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377585;MM377585;C#CC(CC)CC1(O)CC1;NGMQVKNIUFVYRE-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377586;MM377586;C=C(OC)C(CC#N)OC;ZAFXATVKPREJGP-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377587;MM377587;CCC1(CO)CC1C(C)C;VLGHZCHSXFRLAA-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377588;MM377588;COC(=O)C(CC=O)OC;HXUGLLLPSBHZQQ-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377589;MM377589;CCON(C=NOC)CC;UNEQDVBLXZLZEP-UHFFFAOYSA-N;146.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377590;MM377590;C=C(CN)C(CC)NC=N;BDQWVKZGCCFRRL-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377591;MM377591;C=CC1(CO)CC1C(=C)C;DTAOCMNKEXRFRY-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377592;MM377592;C=C(CC=CF)C1(O)CC1;ZZUYXGVWUUZTST-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377593;MM377593;CC(C)C(C)C1(CO)CC1;NQZCKAGEFLELGE-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377594;MM377594;C=C(CC)C(CN)NC=N;MUSYGECTZWGYRW-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377595;MM377595;CCCN(CC)N=COC;FOAOUHGTJVJQHO-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377596;MM377596;C=C(CC)C(CO)NC=N;BRKPDQYFLBHZAU-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377597;MM377597;C=CC=CC(CC)CCC;JLHUNYAZVKGOCN-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377598;MM377598;C=C(CN)C(CO)NC=O;LVCSQTMBRITFQA-UHFFFAOYSA-N;144.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377599;MM377599;CCCC(C=CC=O)CC;VXSJFCAJHMCLGC-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377600;MM377600;C=C(CO)C(CO)NC=N;AVKDELNZBQGMNU-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377601;MM377601;CCC(C=CC=O)CCF;MGKBUWIMDSTAQO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377602;MM377602;C=C(CO)C(CO)NC=O;YSNSGSDPDZLLGL-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377603;MM377603;C=CC=CC(CN)CCF;WJZVTICZGKXSLJ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377604;MM377604;C=C(CF)C(CO)NC=N;OOFHYENJBYYGMC-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377605;MM377605;C=CC=CC(CF)CCN;VDTHJWLFIKXUHQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377606;MM377606;CCC(=O)C(CO)N=CN;UEDOFRFQWAFKQD-UHFFFAOYSA-N;144.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377607;MM377607;O=CC=CC(CF)CCF;ACLNKZBDRCKJNX-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377608;MM377608;NC=NC(CO)C(=O)CO;QMXIYLBSXXZCGJ-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377609;MM377609;C=CC=CC(CN)CNC;RJVQDESGBNSIFD-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377610;MM377610;C=NNC(CN)C(=C)CF;ZRIGPJLMXSKABI-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377611;MM377611;C=CC=CC(CF)CNC;XXQVSEQKTBCLCQ-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377612;MM377612;C=NNC(CF)C(=C)CC;SLFDWCMGFVTAAH-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377613;MM377613;COCC(C=CC#N)CO;WUVIHYMFYIDCER-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377614;MM377614;C=NNC(CF)C(=C)CN;AMSJSBHIIFEYHW-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377615;MM377615;CCCC(C=CC=O)NC;QEMBTCVKFWAGOF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377616;MM377616;C#CC(F)C(=NC)NC=C;MOCRTTDKZFMONX-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377617;MM377617;CCCC(C=CC#N)NC;QXKAKHZVVKIHOC-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377618;MM377618;N=CNC(CO)C(=N)NN;IOZIBEAHAIQWTJ-UHFFFAOYSA-N;145.17;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377619;MM377619;CNC(C=CC=O)COC;ASBZUCFTWVDHKU-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377620;MM377620;NNC(=O)C(CO)NC=O;XEAXUBGRUDAPJV-UHFFFAOYSA-N;147.13;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377621;MM377621;CNCC(C=CC=O)OC;DQAWPRRGAMRUJO-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377622;MM377622;O=CNC(CO)C(=O)NO;ZKEHWXZYAQIVMH-UHFFFAOYSA-N;148.12;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377623;MM377623;CNCC(C=CC#N)OC;LYEVKMWIRJPHBI-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377624;MM377624;O=CNC(CF)C(=O)NO;JAOZQYAZFZOMGD-UHFFFAOYSA-N;150.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377625;MM377625;COCC(C=CC#N)OC;IEVBFRSMVAUUAU-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377626;MM377626;C=NNC(CO)C(=N)NN;MQBFDCIYODUTON-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377627;MM377627;C=NN=CC(CC)CCC;UWYMBQSJBQGCOJ-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377628;MM377628;CNN=C(C=O)N(C)NC;QNYBEANBYOGWCJ-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377629;MM377629;C=NN=CC(CN)CCC;JSTBEGGIMUPYJU-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377630;MM377630;C=NNC(CO)C(=O)NO;RBPNOJATVHVBBX-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377631;MM377631;C=NN=CC(CO)CCO;AQEJEXQKUHSUBA-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377632;MM377632;C=C(OC)C(CO)NC=N;UUTAOXACRCQTNI-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377633;MM377633;C=NN=CC(CF)CCF;MFJPXJDIDDGLRX-UHFFFAOYSA-N;148.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377634;MM377634;C=C(OC)C(CO)NC=O;GVKZXXMQKXZULC-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377635;MM377635;C=NN=CC(CCO)OC;MCXQXEJHZOWJPP-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377636;MM377636;COC(=O)C(CO)NC=O;IZVCPGPZIFSYPN-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377637;MM377637;C=NN=CC(COC)OC;HPXMCJPWXMBNFU-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377638;MM377638;C#CCNC(C#N)=NNC;PIWLLLQVNPHMME-UHFFFAOYSA-N;136.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377639;MM377639;C=CC(C=O)CC=NNC;NHSKKIROAQLFIM-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377640;MM377640;CCOC(C=CC#N)OC;DGCBSMNJMJNDGE-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377641;MM377641;C=C(CC)C(CN)OC=O;USKUOUTUTDSFFK-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377642;MM377642;C=NN=CC(CO)OCC;FNWRTECMKHNRKO-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377643;MM377643;CCC(OC=O)C(=O)CO;FESKAZDMRHDLFI-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377644;MM377644;C=NN=CC(OC)OCC;MFNHJGBKZHTNMW-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377645;MM377645;CCC(=O)C(CO)OC=O;XXQJGSWHHZCWHG-UHFFFAOYSA-N;146.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377646;MM377646;C#CC(=O)C(C)ON=CC;NZQCOEQZDNNPJB-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377647;MM377647;O=COC(CF)C(=O)CF;XSINXZCHNMMBOV-UHFFFAOYSA-N;152.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377648;MM377648;CCCN(C=NC=O)CC;KBTOODUYDZOHAZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377649;MM377649;C=NOC(CN)C(=C)CF;XWKBXYWPGWDIPL-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377650;MM377650;CCN(C=NC=O)CCF;YWOSELWRGDMEFJ-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377651;MM377651;C=CC(=NNCC#N)OC;AUBFYQNHFPATDD-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377652;MM377652;C=NN=CN(CC)CCC;XEDJKUFGOGAIBD-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377653;MM377653;C#CC(=NN)C(F)C#CC;ZOPZKVQODAVZGI-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377654;MM377654;C=CC(C)C(C=O)ON=C;MGZRPTLRRONZQM-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377655;MM377655;C=COC(CF)C(=O)NO;HGQJZERIUJRNKQ-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377656;MM377656;CON(C=NC=O)CCF;NSNOVEBBJOSXCI-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377657;MM377657;CNc1nnn(N)c(=O)n1;GIYDERQOGVOJLG-UHFFFAOYSA-N;142.12;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377658;MM377658;CCCN(CC)N=CC#N;VERLOHLVXHBXCO-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377659;MM377659;C=NOC(CO)C(=O)NO;PWSPTKLLUBZOOJ-UHFFFAOYSA-N;148.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377660;MM377660;C=CC=NN(CC)CCN;DRWGUPHNFZHHGH-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377661;MM377661;COC(=O)C(CO)OC=O;RRQIZGMKYOBWIE-UHFFFAOYSA-N;148.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377662;MM377662;CCC(C=NOC)C(C)=O;NAHUCCUFXGHJHE-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377663;MM377663;C=COC(OC)C(=C)CN;BYKKATBULUKUGC-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377664;MM377664;C#CC=CC(CC)CCC;SUGNFYCRJFHCLY-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377665;MM377665;C=COC(OC)C(=C)CF;WAFIBNRFMWYOEQ-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377666;MM377666;C#CC=CC(CN)CCF;BPHQQPCAHQCCQW-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377667;MM377667;C=COC(OC)C(=O)CC;IOTYYGMGZMAGMG-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377668;MM377668;C#CC=CC(CF)CNC;GOIYETBHAVPVIB-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377669;MM377669;COC1=NNC(=CC#N)N1;FJJDQZQFURMLRZ-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377670;MM377670;C#CC=CC(CCO)NC;ZXHSNFJYHXNYLP-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377671;MM377671;CNC(=N)C(OC)OC=O;WZTHSDRPDDHMBR-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377672;MM377672;C#CC=CC(COC)NC;CRGWRAKXBOBKHB-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377673;MM377673;CNC(=O)C(OC)OC=O;OAKCXFUQOREGOQ-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377674;MM377674;C#CC=CC(CNC)OC;XNMGJNBNZPIQOA-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377675;MM377675;C=COC(OC)C(=C)OC;FEGREPJNTYMODM-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377676;MM377676;C#CC=CC(CO)NCC;BLCJJRYSCYXFDS-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377677;MM377677;C=CCN(CC)C(=O)NC;HWVSDOHFSIKLTQ-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377678;MM377678;C#CC=NN(CC)CCF;JVRYIOYKVWUWEB-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377679;MM377679;CCN(CC=O)C(=O)NO;CYLAAUZRYZKOOP-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377680;MM377680;CCN(CC=O)C(=O)OC;IIDSANUIKUJFBW-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377681;MM377681;C=CCC(C=CCO)CN;GIGMEVWBXNIIDC-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377682;MM377682;CC1CC1CCC1(O)CC1;HRZSRBWDCAKTFV-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377683;MM377683;C=CCC(C=CCN)CF;XZPWONKXEJUOAZ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377684;MM377684;C#CC1=CC2(CO)CC1C2;FHIUYMCXNMBKOU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377685;MM377685;CCC=CC(CF)CC=O;QRDXVRNAYDMRPT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377686;MM377686;CNC(=N)N(CC#N)NC;OWYPGGAQVYLJQH-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377687;MM377687;C=CCC(C=CCO)NC;HOUMPOFFWRMKLP-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377688;MM377688;C=C1C(CF)=CCC1CO;WASXBFGUXNHDIR-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377689;MM377689;CCC=CC(CC=O)NC;JTPYZCAFPACTMU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377690;MM377690;CNN(CC#N)C(=N)OC;NSSZBYSJOIANGN-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377691;MM377691;CNC(C=CCO)CC=O;KVQXPXCBIMLAFT-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377692;MM377692;C#CC(CF)N1CC1C=O;WUFVIDJQOMCBMA-UHFFFAOYSA-N;141.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377693;MM377693;C=CCC(C=CCO)OC;SZJGSGJYFRBTQR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377694;MM377694;CON(CC=O)C(=O)CF;ZAXDLXBSESSGGZ-UHFFFAOYSA-N;149.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377695;MM377695;COC(C=CCF)CC#N;JWAZNJNQVINDCU-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377696;MM377696;CNC(=N)N(CC=O)OC;MABAFWHDOKVQIF-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377697;MM377697;COC=CC(CC#N)OC;RRZXMHAWKBJCOB-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377698;MM377698;COC(=O)N(CC=O)OC;NZUJZXKQYXTBJR-UHFFFAOYSA-N;147.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377699;MM377699;C=CCC(C=NNC)CC;NHBSUOHIUDULMB-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377700;MM377700;CCC(=O)N(CC)NC=O;XVJDILGAZMILTR-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377701;MM377701;C=CCC(C=NOC)CN;BOIHCRYDUXXTPY-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377702;MM377702;CCN(NC=O)C(=O)NC;SUGPXUXJQAKFHB-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377703;MM377703;C=CC1(O)C2C=C(C)CC21;ZYTHTRBUYHPIHA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377704;MM377704;CCN(OC=O)C(=O)CO;MZMPVBVBHJDOKG-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377705;MM377705;C=CCC(C=NOC)NC;QABFDXAIFJZNRA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377706;MM377706;C#CCC(CN)C(=C)CF;GSUZSYUZDRCZQS-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377707;MM377707;C=CCC(C=NNC)OC;SKLZIRZVNOFDCL-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377708;MM377708;C#CCC(CF)C(=C)CN;NGXJTVWCBZFIHC-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377709;MM377709;CCC=CC(CC)NC=N;BLWSACXQYLVQIV-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377710;MM377710;C#CCC(CO)C(=O)CC;YEULUPWOSIVFET-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377711;MM377711;N=CNC(C=CCF)CN;WKGJEBPWNLTDIB-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377712;MM377712;C#CCC(CC)C(=N)NN;UWCAXXHSFJGLKJ-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377713;MM377713;COC=CC(CN)NC=N;ASTCHZQTTGEYFC-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377714;MM377714;C#CCC(CC)C(=N)NO;XFCCHDPNMNMGKY-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377715;MM377715;COC=CC(CO)NC=O;OYZQKJOCTBQLBJ-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377716;MM377716;C#CCC(CO)C(=O)OC;QISAKLWGQHSCAI-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377717;MM377717;C=NNC(C=CCN)CO;GOIHURZJBSZDLG-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377718;MM377718;C#CCC(CF)C(=O)OC;KLVJPQNJHABSLV-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377719;MM377719;CCC(C=NNC)NC=N;LGLACAURWAZUKY-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377720;MM377720;C#CCC(NC)C(=C)CC;VEPGVKXAMPYQQF-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377721;MM377721;C=NNC=NC(C=O)CC;WDOHUXLZUKALAO-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377722;MM377722;C#CCC(NC)C(=C)OC;LNXVBVDOYSULQJ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377723;MM377723;C#CCC(OC)C(=O)CF;CINGHBLVULPCEF-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377724;MM377724;CNN=CC(CO)NC=N;BLKVHVNNUBEGRT-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377725;MM377725;C#CCC(OC)C(=N)NC;AKVUZDLYVGTBPF-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377726;MM377726;CN(C=NN)C(CF)=NN;KNOZPNXHQOAVIV-UHFFFAOYSA-N;147.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377727;MM377727;C#CCC(OC)C(=O)OC;HVRRXGHYMSMLAG-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377728;MM377728;C=CC(=NN)N(N)C=NN;WESZRGCQDGTXDW-UHFFFAOYSA-N;142.17;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377729;MM377729;C#CCN(CC)C(=N)CN;FKVQYHVIDKCQLK-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377730;MM377730;C=COC(C=COC)OC;FTWIBSUDQDGJQB-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377731;MM377731;C#CCN(CC)C(=N)NC;UIHCXBTVJJFUHX-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377732;MM377732;C=COC(C=NNC)CN;ZVWHBZKZGGVIJK-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377733;MM377733;C#CCC1CC1C(O)C=C;XPUUXOZPQQZESZ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377734;MM377734;C=CCC1CC1(C=C)CO;XBWVNTWZPLDXMF-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377735;MM377735;C#CCN(CC)C(=O)NO;YYUXUBOJMINKRQ-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377736;MM377736;CC=Cc1c[nH]c(NC)c1;AGLPOMJWJXATHL-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377737;MM377737;C#CCN(CC)C(=O)OC;XVNHSRAWNIZFHI-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377738;MM377738;CNc1nn(N)c(=NN)o1;YNSHEYJYBZEANB-UHFFFAOYSA-N;144.14;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377739;MM377739;C#CCN(NC)C(=N)NC;POYKDQJCKXUHPN-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377740;MM377740;C=NOC(C=NNC)CC;ZVHITHZZACLGMC-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377741;MM377741;C#CCCC1C(O)C1C=C;ITBSQMOLNZYSCX-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377742;MM377742;C=CCN(C=NCC)NC;OLTSBGSDZJWXCP-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377743;MM377743;C#CCN(NC)C(=O)NO;UWGCUSMOVOLDDL-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377744;MM377744;C#Cc1[nH]c(NC)cc1N;PEMFNHNGPNIDDR-UHFFFAOYSA-N;135.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377745;MM377745;C#CCN(OC)C(=N)NN;JZKDDOXCKDVVRC-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377746;MM377746;CCN=CN(CC#N)OC;WSTJCXARFINEKP-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377747;MM377747;C#CC(C)CC(C)O;NQSYPUDLSHOVGZ-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377748;MM377748;CC=C1CC2CC2(CO)C1;LKCUKTZIHFNJID-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377749;MM377749;C#CCN(OC)C(=O)NO;SGKHJFUIVKRYKU-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377750;MM377750;CCN=CN(CC)OC=O;NONBQBBRARJTBT-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377751;MM377751;C=CC(=C)C(CN)CCF;JZLXISZWFKFAKQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377752;MM377752;C=CCN(CC)N=CCC;JIQMOWPTLPQEBT-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377753;MM377753;C=CC(=C)C(CO)CCO;KCBDHFSQPWHYFT-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377754;MM377754;OCC12CC(=CF)CC1C2;WDKUFTGRBSJNAK-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377755;MM377755;C=CC(=C)C(CF)CCN;VTLNMPHRSRVTID-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377756;MM377756;CCC(C=CC#N)CC=O;QLQUPRMUSHALFW-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377757;MM377757;C=CC(=C)C(CF)CCF;AFGWRUCBUCZLDN-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377758;MM377758;CCC(C=CC#N)CC#N;JEQPTIHKAIMIEC-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377759;MM377759;C=C(C=O)C(CF)CCF;BDTYQVCTWVTYEQ-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377760;MM377760;C=CCC(C=CC=O)CF;KVQHFCDCXFVVHI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377761;MM377761;C=CC(=O)C(CC)CCF;FBPNGBYFPYLUPH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377762;MM377762;C=CCC(C=CC#N)CF;ZDCJCQNKDFMTKQ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377763;MM377763;C=CC(=O)C(CF)CCF;JFYCZNQDNNVESO-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377764;MM377764;C=CC=CC(CF)CC=O;DEXBMSXNRSEAHY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377765;MM377765;CCCC(CF)C(=O)C#N;OXWBRTPRSNZZEX-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377766;MM377766;O=CC=CC(CF)CC=O;ZHTXKEHROMMZKP-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377767;MM377767;C=CC(=C)C(CC)CNC;SFWSBJRWHRYDFV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377768;MM377768;C=CCC(C=CC=O)NC;BKIQQSMGCCFQKR-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377769;MM377769;C=CC(=C)C(CN)CNC;VOBZNSWEMXSSNP-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377770;MM377770;C=CCC(C=CC#N)NC;SNSXKDYAKWZBEO-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377771;MM377771;C=CC(=C)C(CF)CNC;QDIOBSUFPXVEOQ-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377772;MM377772;C=CC=CC(CC=O)NC;GRLWMSRTHYBJSF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377773;MM377773;C=CC(=O)C(CC)CNC;QAQLPFNKVBVUFR-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377774;MM377774;C#CC12CC1C(=O)N(C)N2;SVJJBBMEEDGHJH-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377775;MM377775;C=CC(=O)C(CO)CNC;JORSLNQVEIUZKK-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377776;MM377776;C=CCC(C=NN=C)CN;SUQAUMJJFFMDGV-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377777;MM377777;COCC(CO)C(=O)C#N;LMTZCCIOUCNILB-UHFFFAOYSA-N;143.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377778;MM377778;C=NN=CC(CC#N)OC;IPWFNFVFLUZXOD-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377779;MM377779;COCC(CF)C(=O)C=O;ZEZYSSTYJNJOLJ-UHFFFAOYSA-N;148.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377780;MM377780;NC=NC(C=CC=O)CO;BWRJCDBJHIAHFN-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377781;MM377781;C=CC(=C)C(CCC)NC;SXVBVUYBQWPXQF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377782;MM377782;N#CC=CC(CO)NC=O;HBUNTEMDGQNMBX-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377783;MM377783;C=CC(=C)C(CCF)NC;FIZPFZKJVFEQLT-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377784;MM377784;N#CC=CC(CF)NC=N;ZYRQZMZCRZAMQJ-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377785;MM377785;C=C(C=O)C(CCF)NC;VDLWZFCDXIRWEA-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377786;MM377786;C=C1C(=O)CC2(C#N)NC12;YGSFCQIBGWHGNX-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377787;MM377787;C=CC(=C)C(CNC)NC;CCXMJGLSXXIOJF-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377788;MM377788;C=NN=CC(CN)NC=N;XFZOVEOKBMTTJA-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377789;MM377789;C=C(C=O)C(CNC)NC;BLQHFBFKTUIYHX-UHFFFAOYSA-N;142.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377790;MM377790;C=NN=CC(CO)NC=O;RBVGREFHVFSGFF-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377791;MM377791;CNCC(NC)C(=O)C=O;NTJYBPNKYCHOQC-UHFFFAOYSA-N;144.17;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377792;MM377792;C=COC(C=CC#N)CO;FHQFSIIJXIFGIB-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377793;MM377793;C=C1CC(=C)C(O)C1;TXEIKTXCYWLVJR-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377794;MM377794;N#CC=CC(CF)OC=O;DVFVVZYETMDIJU-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377795;MM377795;CCCC(OC)C(=O)C=O;XIXQJWHNVTWWHS-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377796;MM377796;C#CCc1c[nH]c(N)c1C;HHVMNSZGPKPVEB-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377797;MM377797;COC(CCO)C(=O)C#N;XKYWXHSHTNRVPT-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377798;MM377798;C=COC(C=CC#N)OC;NYJWLHJSEXVKHB-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377799;MM377799;C#Cc1c[nH]c(N)c1;VUAFDKSAFFXFPS-UHFFFAOYSA-N;106.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377800;MM377800;COC(C=CC#N)OC=O;XJZGEEHYZQJNGQ-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377801;MM377801;C=C(C#N)C(CO)OCC;GRCBRAJQHYTESP-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377802;MM377802;C=NN=CC(CO)OC=O;LKHNNDDYXMBXGO-UHFFFAOYSA-N;144.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377803;MM377803;C=CC(=N)N(CC)CCF;GIMJRZXUCHORKC-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377804;MM377804;C=NN=CC(OC)OC=O;LOGSADRNYKSLGI-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377805;MM377805;CCCN(CC)C(=O)C#N;VVNVFAWNSKWKNM-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377806;MM377806;C=CCN(C=CC#N)CC;MZGLEFUHOITKSF-UHFFFAOYSA-N;136.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377807;MM377807;C=CC(=N)N(CCO)NC;NJJZWPPTQAECIA-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377808;MM377808;C=CC(C=O)CCN1CC1;OGOBPNNQYQAFAR-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377809;MM377809;COc1cc(N)c[nH]1;RQHRGJRQYMRERH-UHFFFAOYSA-N;112.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377810;MM377810;C#CC=CC(CF)CC=O;APPRNJGQKGIVTE-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377811;MM377811;CCCN(NC)C(=O)C=O;DGIKJFIEWULVOX-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377812;MM377812;C#CC=CC(CC=O)NC;AGWKAQZEXILSKP-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377813;MM377813;CC1(C2CC2)CC1O;KXLQZUVVOLUZMG-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377814;MM377814;C#CC=CC(CN)NC=N;WQVIVQJUSNMDAW-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377815;MM377815;CNN(CCF)C(=O)C=O;FHEZKSXUKXTUQT-UHFFFAOYSA-N;148.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377816;MM377816;C#CC=CC(CN)NC=O;NBMHJVAUEAITKY-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377817;MM377817;CNN(CCF)C(=O)C#N;VMIZWMGUNDMLGC-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377818;MM377818;C#CC=CC(CF)NC=N;HJDJQABYHDYZFR-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377819;MM377819;CC1C(O)C1C1CC1;JZLZMNQPBYULSH-UHFFFAOYSA-N;112.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377820;MM377820;C#CC=CC(CF)NC=O;CSGSOQWSGUZOHN-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377821;MM377821;CC=C1CCC2(CO)CC12;COOILRAHNBJRFE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377822;MM377822;C=CCC=CC(C)(C)O;IFLXENRRVJYZAY-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377823;MM377823;C#CC=CC(CO)OC=O;VCJITEZWWCXNDG-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377824;MM377824;CON(CCF)C(=N)C#N;QNLAMOBHCCLFQL-UHFFFAOYSA-N;145.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377825;MM377825;C#CC=CC(CN)ON=C;ZWZCXOPVDGLTLL-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377826;MM377826;CON(CCO)C(=O)C#N;OUXCTBBJWVNQDG-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377827;MM377827;C#CC=CC(OC)ON=C;QYDMIYYJJKJACE-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377828;MM377828;CON(CCF)C(=O)C=O;CWNPVMVQAXZDMG-UHFFFAOYSA-N;149.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377829;MM377829;OCC12CCC(=CF)C1C2;GMEWICAJTRCRSK-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377830;MM377830;C=C(C#N)C(CC)CC=O;HKCNHJQJWNLQGL-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377831;MM377831;C#CCC(C=CCC)CC;JFBUZXRACSDTCR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377832;MM377832;C=CC(=C)C(CO)CC#N;BRZPRBTUAARLHT-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377833;MM377833;C#CCC(C=CCN)CC;YRTMDWQMSPLFTG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377834;MM377834;C=CC(=C)C(CF)CC=O;RMBNVJDMIZZRAO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377835;MM377835;C#CCC(C=CCO)CC;WRUPDGGGEKLHNA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377836;MM377836;C=CCC(CF)C(=C)C=O;CBQHAMDFSYSXFR-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377837;MM377837;C#CCC(C=CCF)CN;HKPGIZPOSBVHLT-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377838;MM377838;C=C(C=O)C(CF)CC=O;GOYYLGAGYOGBLK-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377839;MM377839;C#CCC(C=CCN)CF;TWTZSSUYNBXRJJ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377840;MM377840;C=C(C#N)C(CF)CC=O;KGLZKCXDIJNVIG-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377841;MM377841;C#CCC(C=COC)CN;DYSONKGUHGMIDP-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377842;MM377842;O=CCC(CO)C(=O)C=O;NHHHCVHYZRDGEP-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377843;MM377843;C#CCC(C=COC)CO;LQQYASYTKBJPCZ-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377844;MM377844;C=CC(=O)C(CF)CC=O;JKPZNORBVHSQDX-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377845;MM377845;C#CCC(C=CCO)NC;XUYFTACFFYXIFA-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377846;MM377846;C=CCC(CF)C(=O)C#N;VJLQDPZILCHLSM-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377847;MM377847;C#CCC(C=NNC)CC;ZMKQPCGTTRSAPD-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377848;MM377848;C=CCC(NC)C(=C)C=C;HEZHRAPSVOLNTE-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377849;MM377849;C#CCC(C=NNC)CN;URROWSZIXGJGDS-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377850;MM377850;C=CCC(NC)C(=C)C=O;PWRLEGDVZLPPKH-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377851;MM377851;CCC1(CO)CC1C1CC1;SHMIRHBTVKAMBP-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377852;MM377852;C=C(C#N)C(CC#N)NC;QUHQIYHDZUZEMI-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377853;MM377853;C#CCC(C=NNC)CF;DVXLZHVAPOUPFC-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377854;MM377854;C=CCC(NC)C(=O)C=C;OFZILRRSAMQALQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377855;MM377855;CCCC1(O)CC1;PEECWTGZUDNPNQ-UHFFFAOYSA-N;100.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377856;MM377856;CC(C)(O)C=CCC=O;FSCCMUVBVHWYIF-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377857;MM377857;C#CCN(CC)N=COC;QFAOMVHIJUGEPF-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377858;MM377858;C=CC(=C)C(CC=O)OC;PTCZPRJMAPZZNF-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377859;MM377859;C#CCC(C=CC=C)CC;VRFSDDNOTYEGCN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377860;MM377860;C=C(C=O)C(CC#N)OC;FCJISMXTGSMNDK-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377861;MM377861;C#CCC(C=CC=O)CC;XEAYLKCTFPUBRQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377862;MM377862;C=CCC(OC)C(=O)C=C;HZOVQWBYDGSUTG-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377863;MM377863;C#CCC(C=CC=O)CF;JWASJQNFJXZNGF-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377864;MM377864;C=CCC(OC)C(=O)C#N;ZIQCUTZTOJQCIZ-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377865;MM377865;C#CCC(C=NN=C)CN;ONGBGGWGGSSKCD-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377866;MM377866;COC(CC=O)C(=O)C#N;NNBDXNYEFAHEQN-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377867;MM377867;C#CCN(C=CC=O)CC;XRBQTXJJDXIQLY-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377868;MM377868;C=C(C#N)C(CC)NC=N;USSVFJXAKRMZKZ-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377869;MM377869;C#CCN(C=NN=C)CC;HNYHKWUUGVEOHL-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377870;MM377870;C=CC(=C)C(CO)NC=N;ISFLLVVRPGCOST-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377871;MM377871;C#CCN(C=NN=C)OC;WFPWMGDCRZXNKT-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377872;MM377872;C=C(C#N)C(CO)NC=N;LITAOIRCSAVRTH-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377873;MM377873;C#CCN(CC)N=CC=C;AZJKEEJRGXPILX-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377874;MM377874;C=C(C#N)C(CO)NC=O;WJQDCSIJKWQULR-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377875;MM377875;C#CCN(CC)N=CC#N;PGDWCDZHUVKGCE-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377876;MM377876;C=CC(=C)C(CF)NC=N;UBLKLQCPJYWORK-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377877;MM377877;C#CC=CC(CN)CC#C;YQASYBIYDVWCRU-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377878;MM377878;CCC(NC=O)C(=O)C#N;FKXHJGQBZMOMDN-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377879;MM377879;C=CC(C=CCN)CCF;KGXQGQFEEVFNLU-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377880;MM377880;C=CC(=O)C(CO)N=CN;GQAIUUPCYDETFL-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377881;MM377881;CCC=CC(C=O)CCC;UHUGKEIBOJGJCF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377882;MM377882;N#CC(=O)C(CO)NC=O;VBSOAQFHZMZDOR-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377883;MM377883;CCCC(C=O)C=CCO;BGDIIEBCNUBESQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377884;MM377884;CCCC(C#N)C=CCO;CCPWUJDGUHCWGF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377885;MM377885;C#CCC(O)CCCC;CNKOTDLNZPTGOY-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377886;MM377886;CCCC(C=O)C=CCF;GTPKAKOMNFYQGN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377887;MM377887;C=C(CC=O)CN1CC1;YTKUGFNQTBNCKG-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377888;MM377888;CCCC(C#N)C=CCF;VJSBPPMXGWMTGB-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377889;MM377889;C=COC(CO)C(=C)C=C;BVHZJJYHPWKJQF-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377890;MM377890;CCC=CC(C=O)CCO;HRFYUPRCQFTGRX-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377891;MM377891;C=COC(CO)C(=C)C#N;ZLUGJLGLATZMLQ-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377892;MM377892;CCC=CC(C=O)CCF;PBMSKEXEBOCNQO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377893;MM377893;C=CC(=O)C(CC)OC=O;OLWLXQTWSVRQDU-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377894;MM377894;C=COC(CO)C(=O)C#N;KBVXTUWHIUBXCR-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377895;MM377895;O=CC(C=CCF)CCF;MHQSKGPQCJXLDG-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377896;MM377896;CC1C=CC2(CO)CC12;OVCFQZCOAAMYHS-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377897;MM377897;C=CC(C=COC)CCF;DKOZUCLEPYHARC-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377898;MM377898;C=NN=CNC=NN=C;MBCLBHUDBSEVAP-UHFFFAOYSA-N;125.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377899;MM377899;CCCC(C=O)C=COC;ZFDYXYSZFYTHFN-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377900;MM377900;C=C(F)CC=CC(C)(C)O;OLECMSLMDXUYCO-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377901;MM377901;CCCC(C#N)C=COC;GIYITOMGXFMYHW-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377902;MM377902;C=COC(OC)C(=C)C=C;YHBPYBLAQGDODH-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377903;MM377903;COC=CC(C#N)COC;MMNQRWRUGZGZNW-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377904;MM377904;C=COC(OC)C(=C)C#N;CGJHVSAKOSFETR-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377905;MM377905;C=CC(C=NNC)CCC;ZNKBIZOJXLISGL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377906;MM377906;C=C(C#N)C(OC)OC=O;PTZDBZLKQDQNTB-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377907;MM377907;C=CC(C=NOC)CCN;WYPKFQQSOJWXJG-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377908;MM377908;C=COC(OC)C(=O)C#N;ZWXRWUDDELCXIO-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377909;MM377909;CC(=O)C1NC1C;GDFUAUQTVANLLB-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377910;MM377910;C=NOC(OC)C(=C)C#N;CILSRIXZKSLYFB-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377911;MM377911;C=CC(C=NOC)CCF;NHQJQQOEXISJJQ-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377912;MM377912;C=CC(=N)N(CC)CC=O;CWZJVFYIXLZYRI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377913;MM377913;C=CC(C=CCO)NCC;HSRPRJADILXGSF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377914;MM377914;C=CC(=O)N(CC)CC#N;VUTLYFMZKCACLI-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377915;MM377915;C=CC(C=CCF)NCC;MTQWHMNRUPYVKM-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377916;MM377916;C=CCN(CC)C(=O)C=O;CBNSPDNETGCFAV-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377917;MM377917;CCNC(C#N)C=COC;LPUUUDFFEYHPMM-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377918;MM377918;C=CC1(C)CC(C)(CO)C1;ILDLNYMINFRUNP-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377919;MM377919;CCOC(C#N)C=COC;MPVGWZOFBASGJO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377920;MM377920;CNN(CC#N)C(=N)C=O;MPHMMIULWJAAKL-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377921;MM377921;N=CN(C=CCN)CCO;BJSILWODWISKSI-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377922;MM377922;CNN(CC#N)C(=N)C#N;FLFDUNUNQIEVMO-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377923;MM377923;CCCN(C=O)C=CCF;LRPRZLYTTBPPSX-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377924;MM377924;CC(C)(O)C=CCC=CF;RCVRQAIDZHXOQN-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377925;MM377925;COC=CN(C=N)CCF;PHRPULYJGLGWPD-UHFFFAOYSA-N;146.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377926;MM377926;CNN(CC#N)C(=O)C#N;REGJYPWCMMQNQY-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377927;MM377927;COC=CN(C=O)CCO;SOVUREUMGCBDEU-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377928;MM377928;C=CCN(OC)C(=N)C=O;LMKHFFMDCQNYSI-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377929;MM377929;CNN=CN(C=O)CCN;AVQRQMJWFFGHMI-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377930;MM377930;CON(CC=O)C(=O)C=O;MPZRZYBXAVGQIW-UHFFFAOYSA-N;145.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377931;MM377931;C=CCCC1(O)CC1;USIZDNYHULJWDW-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377932;MM377932;CON(CC#N)C(=O)C=O;NNVNOIZERRBNER-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377933;MM377933;CON=CN(C=O)CCO;CHXABZWEOGGKCY-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377934;MM377934;CC(C)(O)C=CCC=NN;LYTSMQWYRZJISM-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377935;MM377935;C=NN(C=NCC)CCF;PNHUIHFRLLSRCH-UHFFFAOYSA-N;145.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377936;MM377936;CCN(OC=O)C(=N)C#N;VBFIXMZDPXBLQB-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377937;MM377937;CCNN(C=N)C=CCF;NBWHBIGOLVHUPD-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377938;MM377938;C#CCC(CO)C(=C)C=O;QGHNWHAXRPZREM-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377939;MM377939;C#CCC(NC)C(=C)C=C;QTOXYYDPZXCHFL-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377940;MM377940;CCC=CN(C=O)NCC;JPGNXZVVPCHYFF-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377941;MM377941;C=CN(C=NCC)NCC;IRJUMCZDYZTIEQ-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377942;MM377942;C#CCN(CC)C(=O)C=O;BEIGNMOMCBSOPW-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377943;MM377943;CCON(C=O)C=COC;YIXUMLULZTWLHB-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377944;MM377944;C#CCN(OC)C(=O)C=C;OPWFMWIUUOUEJG-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377945;MM377945;CNc1cn(C)nn1;FFEOKMMIJLOUHW-UHFFFAOYSA-N;112.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377946;MM377946;C#CC(=C)C(CN)CCO;YCMGYENPPSVRIS-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377947;MM377947;C=CN(C=NOC)OCC;DDNLVAAPWRPCRQ-UHFFFAOYSA-N;144.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377948;MM377948;C#CC(=C)C(CF)CCN;ZAFARRPFDHPWSO-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377949;MM377949;CCON(C=O)C=NOC;QWLDZORNEJLWMS-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377950;MM377950;C#CC(=C)C(CF)CCF;MZYHDYSVEHHGBG-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377951;MM377951;OCC12CCC(C1)C2;DROLRKKVQRWUJY-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377952;MM377952;C#CC(=O)C(CC)CCO;JWOPABAXARCRGY-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377953;MM377953;CCC=NN(C=O)CCC;IBEHRHTXRCEIMO-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377954;MM377954;C#CC(=O)C(CC)CCF;SAXQXRJMAQGPAN-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377955;MM377955;NCC=NN(C=O)CCN;AZUCQGIYOPTGFE-UHFFFAOYSA-N;144.18;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377956;MM377956;C#CC(=O)C(CF)CCC;KEIARYVIEPNAOL-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377957;MM377957;OCC12CC=CC1C2;GZSPEVNMPKBMKX-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377958;MM377958;C#CC(=O)C(CC)CNC;NDJAXIOHRYSLLQ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377959;MM377959;C=CC1(O)CC1C(C)C;VIMKXZYAYCHYCD-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377960;MM377960;C#CC(=C)C(CO)COC;OHGCRQULXSXIAD-UHFFFAOYSA-N;140.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377961;MM377961;O=CN(CCO)NC=NO;WAORLGPVTGCBAE-UHFFFAOYSA-N;147.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377962;MM377962;C#CC(=O)C(CO)COC;KYWWUAFFQADXCW-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377963;MM377963;C=CC(C=CC=O)CCC;QWQLCOYNZVWKIX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377964;MM377964;C#CC(=C)C(CCC)NC;OGAYWGAHUHVGGF-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377965;MM377965;C#CC(=C)C(CCN)NC;ADPOBGQCZIWJKT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377966;MM377966;CCC1(C)CC1(C)CO;WTCREXJZKBYGEZ-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377967;MM377967;C#CC(=C)C(CCO)OC;PXAFFIQJSLITPU-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377968;MM377968;C=CC=CC(C=O)CCC;XDNYWZXZQUPXCE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377969;MM377969;C#CC(=O)C(CCO)OC;CKLISEAVBJFUAQ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377970;MM377970;C=CC=CC(C#N)CCC;ZVXUENUTTUAANU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377971;MM377971;C#CC(=O)C(CNC)OC;FAWAXXHRYXXNQD-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377972;MM377972;CCCC(C=O)C=CC=O;TVDUEOUQSXQCGL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377973;MM377973;C#CC(=C)C(COC)OC;DGMSVCWRTVMRMO-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377974;MM377974;CCCC(C#N)C=CC=O;HKXPYNPTNLAPEE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377975;MM377975;C#CC(=O)C(COC)OC;HJZUWWZNEOEDNE-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377976;MM377976;CCCC(C=O)C=CC#N;QJQBLBMBSYYBTQ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377977;MM377977;C#CC(=C)C(CO)OCC;VZSXSPLSWCAKKV-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377978;MM377978;CCCC(C#N)C=CC#N;JRIQTWBSMZAVNF-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377979;MM377979;C#CC(=C)C(OC)OCC;RENOPPKBBSUZLK-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377980;MM377980;O=CC=CC(C=O)CCO;CRBVAWKQUGXORP-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377981;MM377981;C#CC(=N)N(CC)CCN;XCFFMICKEQUDPV-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377982;MM377982;C=CC=CC(C=O)CCF;MIBMYZPXDCQLIX-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377983;MM377983;C#CC(=O)N(CC)CCN;ZZAFOSAKCMXYKE-UHFFFAOYSA-N;140.19;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377984;MM377984;N#CC(C=CC=O)CCF;BDDWPNXRZDFMGJ-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377985;MM377985;C#CC(=O)N(CCN)OC;GKGOSNQWCDYASQ-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377986;MM377986;C=CC=CC(C=C)CNC;YMZDZDIGTLXACY-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377987;MM377987;C#CC(=O)N(CCO)OC;CNICSDDLMWNBQQ-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377988;MM377988;C=CC(C=CC=O)CNC;UKIHEZVTHQHQHE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377989;MM377989;C#CC(=O)N(CC)OCC;AEFFVVYJILWUGD-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377990;MM377990;C=CC(C=CC#N)CNC;FQXXYQNQVPIVGC-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377991;MM377991;C#CC(=C)C(CO)CC=O;FEAHAZMZHRNUOJ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377992;MM377992;C=CC=CC(C=O)COC;SWAJSWKBMWKBDK-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377993;MM377993;COCC(C=O)C=CC#N;WOXGZJQPZOVQRF-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377994;MM377994;C#CC(=C)C(CF)CC=O;ZIZKDSGCWVIVDB-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377995;MM377995;C=CC(C=NN=C)CCC;PQKQJZGWXATRQO-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377996;MM377996;C#CC(=O)C(CF)CC=C;LURLPMUZPDZNTB-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377997;MM377997;C=CC(C=NN=C)CCF;SLYZTMNERQTPLH-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377998;MM377998;C#CC(=O)C(CF)CC=O;YSBHORCRJDTHMT-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM377999;MM377999;C=C(C)C(O)CCCC;PPKIOOAEILEYAF-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378000;MM378000;C#CC(=C)C(CC=C)NC;WZBAYTYFGIPXLI-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378001;MM378001;C=NN=CC(C=O)CCO;WZGVINGJFHWIKT-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378002;MM378002;C#CC(=C)C(CC#N)OC;ZYIHGDKCRQXXQW-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378003;MM378003;C=CC(C=NN=C)CNC;KJLUVAALQWEOEU-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378004;MM378004;C#CC(=C)C(CN)OC=O;WPRIOZDZPTUFLW-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378005;MM378005;C=C(CCC)C(O)CC;BRWYWNJBQGZZMF-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378006;MM378006;C#CC(=C)C(OC)OC=C;ZPNSRULZJHWQEI-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378007;MM378007;C=CC=CC(C#N)NCC;URIDTLQATCJUDP-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378008;MM378008;C#CC(=C)C(OC)OC=O;WDBIWJITIBUCHD-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378009;MM378009;C=CC(C=CC#N)OCC;CPABMJICWNLZHO-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378010;MM378010;C#CC(=O)N(CC#N)OC;ULEZCBJCYZZQOZ-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378011;MM378011;CCOC(C#N)C=CC=O;ZNABUITVNORVDG-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378012;MM378012;C#CCC(OC)C(=O)C#C;AUVJSBZDSNIBRO-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378013;MM378013;C=NN=CC(C#N)OCC;FDPZPKIGWLKOEC-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378014;MM378014;C#CCN(CC)C(=N)C#C;VVJDGVLJZMSOQG-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378015;MM378015;N=CN(C=CC=O)CCO;XXYPDVXUITWYOT-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378016;MM378016;C#CCN(OC)C(=N)C#C;QSNVEBJVWAMGJE-UHFFFAOYSA-N;136.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378017;MM378017;N#CC=CN(C=N)CCO;CTVGGLFUTUFNCC-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378018;MM378018;C=CC(CCF)C(=C)CN;GLOJRCAYXISPCA-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378019;MM378019;N=CN(C=CC=O)CCF;ALTBAUGTBOQPGD-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378020;MM378020;CC#CC=CC(C)(C)CO;ZVAJFLJTIBJFCT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378021;MM378021;C=CC=CN(C=O)CCC;BPLUZCZQJJHERD-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378022;MM378022;C=C(CC)C(C=O)CCC;ARRMNAJCGLKJLN-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378023;MM378023;CCCN(C=O)C=CC=O;QZUNFOCRRKQVEL-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378024;MM378024;C=C(CO)C(C=O)CCO;IDKATCIJKXVFGR-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378025;MM378025;O=CC=CN(C=O)CCO;CZTZENJEHBJSTP-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378026;MM378026;C=C(CF)C(C=O)CCC;RCVNTFNCQRRBQM-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378027;MM378027;N#CC=CN(C=O)CCO;GZNLVAGTFBJTMC-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378028;MM378028;C=CC(CCC)C(=O)CC;KHMQIDJKATXODH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378029;MM378029;N#CC=CN(C=O)CCF;FQYMSOUWZPMTOR-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378030;MM378030;C=CC(CCO)C(=O)CC;UTXYGZFFMGBOMT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378031;MM378031;CCC=C(C)C(O)CC;CVBRKUMLJLIZGY-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378032;MM378032;C=CC(CCC)C(=O)CF;BIOLKMDUOHQYHR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378033;MM378033;C=CN(C=NC=O)CCC;VBIBRPCOMJCJFE-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378034;MM378034;C=CC(CCF)C(=O)CF;LHBMCCPGEFWHDC-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378035;MM378035;C=CN(C=NC=O)CCF;QLIAYMZRIGPFDZ-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378036;MM378036;CCCC(C=O)C(=O)CC;ZTQSKBCZZCNDOP-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378037;MM378037;CCCN(C=O)C=NC=O;TYSPSZHMTYYROD-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378038;MM378038;O=CC(CCF)C(=O)CO;FHHAWEHDZXFKNY-UHFFFAOYSA-N;148.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378039;MM378039;N=CN=CN(C=O)CCN;SDXSVTHERFSNTK-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378040;MM378040;C=CC(CNC)C(=C)CC;OWKIEUUWGMBTDZ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378041;MM378041;CC=CCCC1(O)CC1;WYLYLYZXDSVXNK-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378042;MM378042;C=CC(CNC)C(=C)CF;VOOXFGSOLOJICH-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378043;MM378043;C=CN(C=NN=C)CCC;YWQSXSHPAFODML-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378044;MM378044;C=C(CC)C(C=O)CNC;QKGIPYZFPDFXKU-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378045;MM378045;C=NN(C=NC=O)CCC;FHRWHPDXTWTPTG-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378046;MM378046;C=CC(COC)C(=C)CO;MODQNWRWBHVKOY-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378047;MM378047;CCNc1noc(=O)o1;VCPRMYNOLZORIZ-UHFFFAOYSA-N;130.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378048;MM378048;C=C(CC)C(C=O)COC;XUMMUJJUVZNCPP-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378049;MM378049;C=NN(C=NC=N)CCF;SADHAOSOXRTPAT-UHFFFAOYSA-N;144.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378050;MM378050;COCC(C=O)C(=O)CF;MGEBSCKQZNUQLB-UHFFFAOYSA-N;148.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378051;MM378051;C=NN(C=NC=O)CCF;GKBQADCVDOGNKG-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378052;MM378052;C=CC(CCF)C(=N)NC;DCAWOZKYJHPGGO-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378053;MM378053;C=CC=CN(C=N)NCC;GNELCVPABRMCTA-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378054;MM378054;C=CC(CCC)C(=N)NN;ZUAHXTJESHSPDK-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378055;MM378055;CCON(C=O)C=CC=O;DDKHCLVIRAVBTH-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378056;MM378056;C=CC(CCC)C(=N)NO;QCYUDRMYRWKRQY-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378057;MM378057;CC#Cc1cc(N)c[nH]1;UQCMSPQSDGYXJY-UHFFFAOYSA-N;120.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378058;MM378058;CNC(=N)C(C#N)CCO;FMQRCJDVOMZVOK-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378059;MM378059;CCC1=C(C)CC(O)C1;DXHWNWSXHDGYFY-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378060;MM378060;CN=C(N)C(C=O)CCF;AWVWOZAIWIBYBU-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378061;MM378061;CCCN(C=O)N=CC#N;PVKNQKVFTCYXMJ-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378062;MM378062;C=CC(CCN)C(=O)NC;NITBKFDEAXBQFS-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378063;MM378063;C#CC1CN=C(NN)O1;BQPFHWJYPVDIOI-UHFFFAOYSA-N;125.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378064;MM378064;C=CC(CCF)C(=O)NC;JQZPKJOBUKVGFA-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378065;MM378065;N#CC=NN(C=O)CCO;ZSAQLZPFQPIZPM-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378066;MM378066;C#CC(C)CC1CC1(C)O;KIHPOVHOENIHCJ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378067;MM378067;C=CC=NN(C=O)CCF;LRZDIEVLDJMXFG-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378068;MM378068;C=CC(CCC)C(=O)NO;WNULQLDTEZRQIJ-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378069;MM378069;C#CC=CC(C=O)CCO;KNVJBCIACSKGAD-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378070;MM378070;CNC(=O)C(C#N)CCO;NWOHYFZPRPJORG-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378071;MM378071;C#CC=CC(C#N)CCO;MSFLGLCUOLZRFT-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378072;MM378072;CCCC(C=O)C(=O)NO;CAVYAAIAYKDGPZ-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378073;MM378073;C#CC=CC(C=O)CCF;QQBASRLUSUSNNE-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378074;MM378074;C=CC(COC)C(=N)NN;KIEPOVZTSIWDKY-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378075;MM378075;C#CC=CC(C=O)CNC;RVWQNKDSKGFMPL-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378076;MM378076;C=C(OC)C(C=O)CCC;RTWIGWFKOYIPLH-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378077;MM378077;C#CC=CC(C#N)COC;DBDFZANISYZCJB-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378078;MM378078;C=CC(CCF)C(=O)OC;CIXFZLCYECMXPQ-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378079;MM378079;C#CC=CC(C#N)OCC;PLPVGIPRCGWWIP-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378080;MM378080;COC(=O)C(C#N)CCO;BZRCRGHUHDMPEV-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378081;MM378081;C#CC=CN(C=O)CCO;FDHMXSDREURRBP-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378082;MM378082;C=CC(CNC)C(=C)OC;ZWHRLAJACHWUAW-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378083;MM378083;C=CC(=O)C1NC1C#N;DJGOYOPXZWTASO-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378084;MM378084;CNCC(C=O)C(=O)OC;RVXRUGGOEZTOIY-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378085;MM378085;C#CC=NN(C=N)CCF;XHGNQTRXSZWORR-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378086;MM378086;C=C(OC)C(C#N)COC;BTPJWVQUXXGSSV-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378087;MM378087;CNN=CNOC=NN;CLNCOTPCFQYAOZ-UHFFFAOYSA-N;131.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378088;MM378088;C=CC(NCC)C(=C)CC;HRWTVMQFZLFOQW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378089;MM378089;C=CCC(C=C)C=CCC;DXSRGUHPQMBPJK-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378090;MM378090;C=C(F)CC(=O)N(N)CC;WAOZYFHGQNRKFU-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378091;MM378091;C=CCC(C=C)C=CCO;PLFATKXDNNBGHI-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378092;MM378092;C#CC(CC(C)O)C(=C)C;KCAYFBIVFQYBHH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378093;MM378093;C=CC(C=CCC)CC=O;HZNOSJOCQUSRDW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378094;MM378094;CCNC(C#N)C(=N)NC;BMKUFDMFJXFDIE-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378095;MM378095;C=CC(C=CCO)CC=O;PMXGHWQPUZTMAL-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378096;MM378096;CC(F)=CC(C=O)N(C)C;DFUYAXFIFNPPKX-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378097;MM378097;C=CC(C=CCF)CC=O;CMLKUMSYLNNSBP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378098;MM378098;C=CC(NCC)C(=O)OC;BRPMITGPMQQTGS-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378099;MM378099;C=CCC(C#N)C=CCC;ZPZOTLABPRKKSH-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378100;MM378100;CCOC(C#N)C(=O)CC;USRDQURYDGDOOG-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378101;MM378101;C=CCC(C=O)C=CCO;DWMFXFMAAZTVKD-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378102;MM378102;CCOC(C=O)C(=O)CO;GMLBFWKIGAJNDI-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378103;MM378103;C=CCC(C#N)C=CCO;CFEFANIEDLYFRK-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378104;MM378104;CCOC(C#N)C(=O)CO;DLUVDBGVVMVLQF-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378105;MM378105;C=CCC(C=O)C=CCF;UZDABOVEYFKTSA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378106;MM378106;C=CC(OCC)C(=O)NC;HUVWMAUPPFKFIB-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378107;MM378107;CCC=CC(C#N)CC=O;TYAGRDGIPJQQEJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378108;MM378108;C=C(OC)C(C#N)OCC;GNAIYDDRUGDIGC-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378109;MM378109;CCC=CC(C#N)CC#N;GDHSXDKQZITZOS-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378110;MM378110;C=C(CC)N(C=N)CCN;KHGSECQWNUQZFN-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378111;MM378111;N#CCC(C=O)C=CCO;WJVQDUQDIGYWIW-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378112;MM378112;C=C(CN)N(C=N)CCC;BKSYNWJCOOUOHU-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378113;MM378113;O=CCC(C=O)C=CCF;WJXKECDEEPWCTK-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378114;MM378114;C=C(CF)N(C=N)CCO;SGZOVHGVVOZQIX-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378115;MM378115;N#CCC(C#N)C=CCF;YNCITVWIAQWUAB-UHFFFAOYSA-N;138.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378116;MM378116;C=CN(CCC)C(=N)CN;DKFYMDSCBBJUSG-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378117;MM378117;C=CCC(C#N)C=COC;XMGIWFSPPJSJCG-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378118;MM378118;CCC(=N)N(C=N)CCN;LRIXPFIOJISKBF-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378119;MM378119;C=CCC(C=C)C=NNC;JUYZTIIAQDCDFV-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378120;MM378120;CCC(=N)N(C=N)CCO;DLNNHSJGRBYAIF-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378121;MM378121;CC1C(C=O)N1CC#N;HSOZZTMGBFKVHX-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378122;MM378122;CCCN(C=N)C(=N)CO;BZCKSGFVMBNUQT-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378123;MM378123;COC=NNCC(C)(F)F;YHAMRKLGQKYRQO-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378124;MM378124;N=C(CF)N(C=O)CCN;YANWXWHHAMWDCR-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378125;MM378125;C#CC(C)=CC(C)C(C)O;OLAYFTVYBNCXJV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378126;MM378126;C#CCC(O)CCCCC;DNHMBZFEOTWFKP-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378127;MM378127;C#CC(C)ON=CC(C)=O;LBYSYAKACRDFQD-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378128;MM378128;N=C(CF)N(C=O)CCF;YVSDSMCRVVVMAC-UHFFFAOYSA-N;150.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378129;MM378129;C=CC(C=CCN)NC=N;OFJKTYAGNIXKIJ-UHFFFAOYSA-N;139.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378130;MM378130;C=CN(CCO)C(=O)CC;BOABVWRVOCJPGP-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378131;MM378131;N#CC(C=CCF)NC=N;CMHFUFQSZAGYAC-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378132;MM378132;C=CN(CCF)C(=O)CO;NEIJJYKPBALTBP-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378133;MM378133;N#CC(C=CCO)NC=O;NICMZTFBGIFXJV-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378134;MM378134;C#CCC(O)CC=CC=O;OHSAUROBASNIKK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378135;MM378135;COC=CC(C#N)NC=N;UXVXGAYQLPQKGF-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378136;MM378136;O=CN(CCO)C(=O)CO;FWRUGVAVOQBGMK-UHFFFAOYSA-N;147.13;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378137;MM378137;COC(=NC=O)NN(C)C;XNCFCQKBSZCZHZ-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378138;MM378138;O=CN(CCO)C(=O)CF;YALGYACUACLDDP-UHFFFAOYSA-N;149.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378139;MM378139;CNN=CC(C#N)NC=N;NTRINSVPYCPXTF-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378140;MM378140;C=CN(CCO)C(=N)NC;YGJVOOUBVLMQLF-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378141;MM378141;C=CC(CC(C)O)C(=C)C;AUPHGJYOODSLOJ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378142;MM378142;CCCN(C=N)C(=N)NC;VUKZQEXHKTUNRK-UHFFFAOYSA-N;142.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378143;MM378143;CNN=CC(C#N)NC=O;IUUDWSAMMHPZNW-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378144;MM378144;CNC(=N)N(C=N)CCO;XOALDAQNFPXELN-UHFFFAOYSA-N;144.18;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378145;MM378145;C#CC(=C)C1CC(C)(O)C1;ZZNSBLONXQLOIR-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378146;MM378146;CNC(=N)N(C=N)CCF;FRHTZIKHXQEQAW-UHFFFAOYSA-N;146.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378147;MM378147;CON=CC(C#N)NC=N;GCPNECCKJZIFKW-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378148;MM378148;CCCN(C=N)C(=N)NO;XYQRRINQFGANGD-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378149;MM378149;C=COC(C#N)C=COC;OILYBHICDNLYPA-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378150;MM378150;N=CN(CCF)C(=O)NO;PFCHETRHKSEMCL-UHFFFAOYSA-N;149.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378151;MM378151;C=NOC(C#N)C=COC;FGCPNLMQRFEENT-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378152;MM378152;CNC(=O)N(C=O)CCN;WQKGKUFPEHZJMQ-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378153;MM378153;C=C(CC1(O)CC1)C(C)C;CGXSSHZOAQCCEE-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378154;MM378154;O=CN(CCO)C(=O)NO;RITQZVSIMUZBTP-UHFFFAOYSA-N;148.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378155;MM378155;C=COC(C#N)C=NOC;PBJSMIMBMRDGQT-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378156;MM378156;C=C(OC)N(C=N)CCN;TZUAJCUAEHARLR-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378157;MM378157;N#CCN(C=N)C=CCO;FTDKKPDRYJFMMM-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378158;MM378158;C=CN(CCC)C(=N)OC;UDMMJASNLDESLB-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378159;MM378159;C=CCN(C=O)C=CCO;HKYAWCLDFXNUMT-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378160;MM378160;COC(=N)N(C=O)CCN;PWXZSSCKKGGEMD-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378161;MM378161;C=CCN(C=O)C=CCF;NTNPKYIWZCKZBQ-UHFFFAOYSA-N;143.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378162;MM378162;C=CN(CCF)C(=O)OC;LZWQPPWGGXSNGL-UHFFFAOYSA-N;147.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378163;MM378163;O=CCN(C=O)C=CCO;FKDBLUDUDZUYQQ-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378164;MM378164;COC(=O)N(C=N)CCN;PHWVNPCFHLVHQS-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378165;MM378165;N#CCN(C=O)C=CCO;IJOOKNYJWHFZGG-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378166;MM378166;CCCN(C=O)C(=O)OC;RZYLCRFXJBHEFI-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378167;MM378167;C=CCN(C=N)C=COC;RJKHXZHMVIHMEA-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378168;MM378168;COC(=O)N(C=O)CCO;YQKFQMAOMSBJQR-UHFFFAOYSA-N;147.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378169;MM378169;COCCON=CC(C)=O;VRPJECUUAZHSFS-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378170;MM378170;COC(=O)N(C=O)CCF;JMMBTKMCEUOBOT-UHFFFAOYSA-N;149.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378171;MM378171;CON=CN(C=O)CC=O;OYRJCPBANAGFSA-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378172;MM378172;CNN=C(N)C(=O)CCF;GBCXRSZBINAXCY-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378173;MM378173;CON=CN(C=O)CC#N;OILLJUAHOBJNNL-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378174;MM378174;NN=CN(C=NN)C=NN;QRPVANXNABLERT-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378175;MM378175;C=CCN(C=NOC)N=C;AFVFMSWWBKNRLC-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378176;MM378176;C=NN(CCF)C(=N)CF;DWJKVDCDACAVHT-UHFFFAOYSA-N;149.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378177;MM378177;O=CNN(C=O)C=CCF;DRZALSZKWVHWQY-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378178;MM378178;C=NN(CCC)C(=O)CC;LAKFFZQSLJOSSM-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378179;MM378179;COC=CN(C=O)NC=O;JNGUCTRXZVCHND-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378180;MM378180;Cc1cc(F)nc(N)c1F;XMBLMSYFCJQCAO-UHFFFAOYSA-N;144.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378181;MM378181;C=C(C)C(O)CCCCC;MQTGHJTYAJTINM-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378182;MM378182;C=NN(CCC)C(=N)NC;VFWMNQFCVQDLHS-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378183;MM378183;CNN=CN(C=N)NC=N;LJXQDBBBKNEXRV-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378184;MM378184;C=NN(CCN)C(=N)NC;YBNUCXXQBRZYTC-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378185;MM378185;CON=CN(C=N)NC=N;SKHNPFPBZRLYIV-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378186;MM378186;C=NN(CCO)C(=N)NN;MNQZDLZQZOXJLB-UHFFFAOYSA-N;145.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378187;MM378187;C=C(C)C(O)CCCCF;MQTCHTJYSQKTFF-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378188;MM378188;CC(=O)c1nc(=N)nco1;ANIHQLFEGYGLGR-UHFFFAOYSA-N;139.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378189;MM378189;CON=CN(C=O)NC=N;AQMNXRHAQSKSKA-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378190;MM378190;C#CC(=O)CNC(C)C=O;KCOJMSCFYZMDDL-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378191;MM378191;CON=CN(C=O)NC=O;FOENSGVSVYPJHZ-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378192;MM378192;C=NN(CCO)C(=O)NO;HQZJYXCFEIFYHA-UHFFFAOYSA-N;147.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378193;MM378193;N=CN(C=CCN)OC=O;WQUJFHYSBJNTPU-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378194;MM378194;C=NN(CCC)C(=O)OC;AUWIWMJXBAQXMO-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378195;MM378195;C#CCC(=NNC)NOC;DIQFWVYKWXHIEI-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378196;MM378196;C=NN(CCF)C(=O)OC;LKAGPWIXQMEUKU-UHFFFAOYSA-N;148.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378197;MM378197;C#CCC1=CC2CC2(O)C1;FVPMHSBGOVNCFR-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378198;MM378198;C=C(CC)N(C=N)NCC;WNFYIVVSLGWQOD-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378199;MM378199;CCC=NN(C=O)CC#N;GVKLXEXAPYXJSN-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378200;MM378200;CCNN(C=N)C(=N)CC;LGQCRPHUMLOSCI-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378201;MM378201;C#CC(C)=CCC(O)CC;RMJGYBTYJDXWFE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378202;MM378202;C#CC(C=O)NC(=N)CF;WOCGXLZRMSNRNV-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378203;MM378203;CC=C(CC)CC1(O)CC1;SUFAIKOQFANOHF-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378204;MM378204;CCC(C)(F)C1NC1C=O;HMFPYNQGYSQVME-UHFFFAOYSA-N;145.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378205;MM378205;C=CCN(C=O)N=COC;NMTCIDZPUQCKKX-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378206;MM378206;C=C(CN)N(C=O)OCC;JSXWSVMDUGBRSL-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378207;MM378207;COC=NN(C=O)CC#N;WBUJRQGPDHZZJW-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378208;MM378208;C=C(CO)N(C=O)OCC;AKRLTKLEZIBXLK-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378209;MM378209;C=CCC(C=C)C=CC=O;SPCSZZVJJOQRQN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378210;MM378210;CCON(C=O)C(=N)CF;YEIFYZAALJUWJF-UHFFFAOYSA-N;148.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378211;MM378211;C=CC=CC(C=C)CC=O;ZZRINVTVCKPEEN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378212;MM378212;CCC#CC(F)C(C)=NN;GCJGEGULYZMPFS-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378213;MM378213;C=CC(C=CC=O)CC#N;POKNVZRQRBBCHE-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378214;MM378214;C=C(OC)N(C=O)OCC;MOUARBZBTUNYCZ-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378215;MM378215;C=CC(C=CC#N)CC=O;VATCJHBAIKAJAR-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378216;MM378216;CCON(C=O)C(=N)OC;VFLVZVBCTJMSCP-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378217;MM378217;C=CC(C=CC#N)CC#N;CQUYDCHULXVNOR-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378218;MM378218;C=CC(CC=O)C(=C)CC;AGEAQHNCSGWGTN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378219;MM378219;C=CC=CC(C=O)CC=C;BTRLSPTWLAEQFY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378220;MM378220;C#CC1(C)C(O)C1CC=C;LNOADBZYYSHWRX-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378221;MM378221;C=CCC(C=O)C=CC=O;VGCLVXZVEDSHFU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378222;MM378222;C=CC(C=CC)C(C)CO;XVKMCIRZYJOKJS-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378223;MM378223;C=CCC(C=O)C=CC#N;FXVMZBLJOWXVSP-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378224;MM378224;C=CC(CC#N)C(=C)CO;HDFMQSCRWCEPGK-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378225;MM378225;C=CCC(C#N)C=CC#N;KOLPMDCYBSTOFG-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378226;MM378226;C=CC(CC=O)C(=C)CF;GGIVMTORCGBYSU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378227;MM378227;C=CC=CC(C=O)CC=O;DSOZDVDCPBORAT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378228;MM378228;C=CCC(C=O)C(=C)CC;MWFXYWXTRYMXPP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378229;MM378229;C=CCC(C=C)C=NN=C;ZZKDRWGHERQKKN-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378230;MM378230;C=C(CC)C(C=O)CC=O;FJOAZFBIXUVMGW-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378231;MM378231;C#CC(C#N)NCC(C)=O;IQAVBPDBZDOYSC-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378232;MM378232;C=CCC(C=O)C(=C)CO;QDCAORLJUUSXDS-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378233;MM378233;C#CC1CC(C=C)(CO)C1;UGMNBFSWEIMPMK-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378234;MM378234;C=CCC(C#N)C(=C)CO;AZPBUIDTFYIMPI-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378235;MM378235;C=NN=CC(C#N)CC#N;ASHXBWZVGFDBGP-UHFFFAOYSA-N;134.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378236;MM378236;C=CCC(C=O)C(=C)CF;LSUGNTQWSZSTPQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378237;MM378237;C=CC(C=CC=O)NC=N;CTARFUDRLMNUKN-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378238;MM378238;C=C(CF)C(C=O)CC=O;WKYGWCJZVBMONM-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378239;MM378239;C=CC(C=CC#N)NC=N;SYNWPPXJVJHHGE-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378240;MM378240;C=CC(CC=O)C(=O)CC;IMYAOUKSEGHIQV-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378241;MM378241;C=CC(C=CC=O)NC=O;WLSSRFWOXDCITN-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378242;MM378242;C=CC(CC#N)C(=O)CC;JDBOFGWXQSNSRN-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378243;MM378243;C=CC(C=CC#N)NC=O;RXYPIPUHGDAEEJ-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378244;MM378244;C=CC(CC=O)C(=O)CO;PONFQPONPHGMLT-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378245;MM378245;C=C(CCCF)C(O)CC;PTQFEXRQNKUIAK-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378246;MM378246;C=CC(CC#N)C(=O)CO;MULJAKGTQPXFOS-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378247;MM378247;CCCC=C(C)C(O)CC;WPUMFKYKRAJLRH-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378248;MM378248;C=CCC(C=C)C(=O)CF;DAFQIAHJWQJAJU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378249;MM378249;C=CC(C=NN=C)NC=N;WWTZPLJCXYJKMF-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378250;MM378250;C=CCC(C#N)C(=O)CC;DYBTZFIHKCCRGG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378251;MM378251;C=CC(C=NN=C)NC=O;KMJHRTGFJMNYRC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378252;MM378252;C=CCC(C=O)C(=O)CO;QBNAHQRNKNTHEO-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378253;MM378253;CNN=CNOC(C)=NN;DWVFGKVPQCAGGF-UHFFFAOYSA-N;145.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378254;MM378254;O=CCC(C=O)C(=O)CO;UTNODZUMDNGFQD-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378255;MM378255;C=COC(C=C)C=CC=O;FMURHXDEUZQUBO-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378256;MM378256;N#CCC(C=O)C(=O)CO;LVFVOXIISFFOOX-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378257;MM378257;C=COC(C#N)C=NN=C;HQEMZCZVGXGNOI-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378258;MM378258;N#CC(CC=O)C(=O)CO;LCDFINIKOVXDGU-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378259;MM378259;C=NN=CC(C#N)OC=O;SDKIJFFHLPLYEQ-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378260;MM378260;N#CCC(C#N)C(=O)CO;KHIPGPAVSALGAK-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378261;MM378261;C=NNCC=CC(C)C=O;TWNGXSFSHSAITM-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378262;MM378262;C=CCC(C=C)C(=N)NC;IATRCFSENPTSFJ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378263;MM378263;N=CN(C=CC=O)CC=O;JADZOSAQDLFKLC-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378264;MM378264;C=CC(CC=O)C(N)=NC;AOHPLICOJRPKHB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378265;MM378265;N#CC=CN(C=N)CC=O;SXVXIBGMHURSBY-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378266;MM378266;C=CCC(C=C)C(=N)NN;GJZRTVASAGAFTM-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378267;MM378267;C=CCN(C=O)C=CC=O;HSXZDDDEOKKMKG-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378268;MM378268;C=CCC(C=C)C(=N)NO;ZVVCPKWPTRGKTB-UHFFFAOYSA-N;140.19;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378269;MM378269;O=CC=CN(C=O)CC=O;AXPPRRWZWFGOKW-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378270;MM378270;CN=C(N)C(C=O)CC=O;LDMDHPSVQMCUTK-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378271;MM378271;N#CCN(C=O)C=CC=O;OOVABWRUGKRGAB-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378272;MM378272;CN=C(N)C(C=O)CC#N;ZPXQSGZUNWNKIQ-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378273;MM378273;C=NN(C=CC=O)CC#N;CESKDWKTSYBLNO-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378274;MM378274;N#CC(CC=O)C(N)=NO;FKIYAEWWGGHJFS-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378275;MM378275;C=NN(C=CC#N)CC#N;BXRLRKSRLAIXRV-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378276;MM378276;C=CCC(C=C)C(=O)NO;WENXHNJLLRRLQD-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378277;MM378277;CCC=CCCC1(O)CC1;HWLCOGBMJRTEHU-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378278;MM378278;CNC(=O)C(C=O)CC#N;SFNRLCUQEXJKAQ-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378279;MM378279;N#CC=CCCC1(O)CC1;DJYPSNCBOMHCDK-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378280;MM378280;C=CC(CC=O)C(=C)OC;GSFQRYCCERJBRI-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378281;MM378281;N#CCN(C=O)C=NC=O;HSWHWSUHOMJHLX-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378282;MM378282;C=CCC(C=O)C(=C)OC;VXTUEXPHRDMPLN-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378283;MM378283;C=CN(C=NN=C)CC#N;CDMGUYGOYRPNTE-UHFFFAOYSA-N;136.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378284;MM378284;C=CCC(C=O)C(=O)OC;UMQQNVRUEQPCLX-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378285;MM378285;C=NN(C=NC=O)CC#N;KVQVSMSFLHCEAX-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378286;MM378286;C=C(CF)C(C#N)NC=N;IXURUYOXAYUSMY-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378287;MM378287;C=CCN(C=NN=C)N=C;DTHGWCJQQNZLIZ-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378288;MM378288;C=CC(NC=O)C(=O)CC;GWKVEHSMDUZGBB-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378289;MM378289;C#CC=CCCC1(O)CC1;LCTACWBAHTUFBA-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378290;MM378290;CCC(=O)C(C=O)N=CN;UPQGQHHUNVCNTJ-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378291;MM378291;C=NN=CN(CC#N)N=C;PVLSMTLICXTELV-UHFFFAOYSA-N;137.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378292;MM378292;CCC(=O)C(C#N)NC=O;QEAXGYDTFWKMKE-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378293;MM378293;N#CC=CN(C=O)NC=N;CVEKZYGNWWEXJI-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378294;MM378294;NC=NC(C=O)C(=O)CO;QIBHNNFNRMIXJR-UHFFFAOYSA-N;144.13;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378295;MM378295;N#CC=CN(C=O)NC=O;XZSHGHSOEAGPFK-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378296;MM378296;N#CC(NC=O)C(=O)CO;ZSAMCEIZPLCTKK-UHFFFAOYSA-N;142.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378297;MM378297;N=CN=CN(C=N)NC=N;YWXNQBBXVIIDNV-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378298;MM378298;C=CC(NC=N)C(=N)NN;NAMLVXWHYJUIJX-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378299;MM378299;N=CNN(C=N)C=NC=O;MTRFUTRTGXICBJ-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378300;MM378300;C#CCOC(=NC=O)NN;ZGKHFGDYBPNIES-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378301;MM378301;N=CN=CN(C=O)NC=N;SPQWYAOPELOHFE-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378302;MM378302;C=CC(N=CN)C(=O)NN;KPPPETMUPFISGX-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378303;MM378303;N=CNN(C=O)C=NC=O;OGGNUVLMTIMBBQ-UHFFFAOYSA-N;142.12;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378304;MM378304;C=CC(NC=O)C(=O)NO;PIGNGLSNFLGVMO-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378305;MM378305;C=CN(C=NN=C)NC=O;DGRDYCMUYLMVGF-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378306;MM378306;COC(=O)C(C#N)NC=O;XKUIVUJVDJFTOU-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378307;MM378307;C=NN=CN(C=N)NC=N;XZIUNLUEZGUFFC-UHFFFAOYSA-N;140.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378308;MM378308;C=CC(NN=C)C(=C)OC;OUDXXEBPMRESJN-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378309;MM378309;CCCC1C(C)C1(C)CO;PGWSDMOYSAHGQT-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378310;MM378310;CN(C)N(C=O)C(=O)CN;GXAIGEAHIRUSJS-UHFFFAOYSA-N;145.16;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378311;MM378311;C=NN=CN(C=O)NC=N;FCDXMWSOTBDWOZ-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378312;MM378312;C=C(CO)C(C#N)OC=O;WIWGMTWDLURWMP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378313;MM378313;N=CN(C=CC=O)OC=O;WUBYAOMWIGZNQN-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378314;MM378314;C=COC(C=O)C(=C)CF;RAOXSIIIABQGCH-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378315;MM378315;C=CC=CN(C=O)OC=O;DWOZCCIXHMIORH-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378316;MM378316;C=COC(C#N)C(=C)CF;FMPFOKAWAHKNDS-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378317;MM378317;C=CC=NN(C=N)CC#N;KHJCRVGBPBAGSN-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378318;MM378318;C=CC(OC=O)C(=O)CO;IWPHXLQTXXZPDC-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378319;MM378319;CC(=NN)N(C=N)C=NN;YUYFWHMBLFAKFI-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378320;MM378320;C=CC(ON=C)C(=C)CN;LPFSWSIBRQNCTO-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378321;MM378321;C=CC=NN(C=O)CC=C;INABZEBOGWLJMQ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378322;MM378322;CC(=CF)C1CC(O)C1C;XJNMSAHKXRSSAS-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378323;MM378323;C=CCN(C=O)N=CC=O;KIRSZQGOEYCPOM-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378324;MM378324;C=COC(C#N)C(=O)NC;KNWWRNDWRCGZOK-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378325;MM378325;C#CC=CC(C=C)CC=O;GFVRBRKVRBJUDB-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378326;MM378326;CNC(=O)C(C#N)OC=O;MJBFOHNOAGFADV-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378327;MM378327;C=COC(C#N)C(=O)NO;UQFAFFLAYCPMJX-UHFFFAOYSA-N;142.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378328;MM378328;C#CC=CC(C=C)CC#N;LOBASVBCEHRGIA-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378329;MM378329;CNc1nc(=N)onc1F;BNYARFFXJNIWBQ-UHFFFAOYSA-N;144.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378330;MM378330;C#CC=CC(C=O)CC=C;AEHVLHKGKKLBLN-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378331;MM378331;CC1(O)C2C=C(C#N)CC21;XHLQKINBVZOJAC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378332;MM378332;C#CC=CC(C=C)NC=N;SFXYJGSGXRNHSI-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378333;MM378333;C=NNC(C)=C(C#N)C=O;ROOWZAFEHJSLLR-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378334;MM378334;C#CC=CC(C=C)NC=O;NURWYYOGJGNGIC-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378335;MM378335;C=NOC(C#N)C(=O)NO;RZIUQPKWNPSXPV-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378336;MM378336;C#CC=CC(C=C)NN=C;AXRXCNCNILOQMX-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378337;MM378337;C=COC(C#N)C(=C)OC;WVLIQMGHMWOBJE-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378338;MM378338;C#CC=CC(C#N)OC=C;ZIOMISAIRXDPEJ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378339;MM378339;C=CC(OC=O)C(=O)OC;BCBLYGKJUGFZJC-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378340;MM378340;C#CC=CC(C#N)ON=C;VNTQYCTUKVIGOQ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378341;MM378341;C=NOC(C#N)C(=C)OC;UDPMCCFADBTIQJ-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378342;MM378342;C#CC=CN(C=N)CC=O;DHLDBTTUFTYFCE-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378343;MM378343;C=C(CC)N(C=O)CC#N;TVJREQBJVBEHFY-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378344;MM378344;C#CC=CN(C=O)CC=C;WVUCFYFHNKEGRY-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378345;MM378345;C=CCN(C=C)C(=N)CC;YXRKOZSVCRVRQD-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378346;MM378346;C#CC=CN(C=O)CC#N;SNEORUPZPUITHS-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378347;MM378347;C=CN(CC#N)C(=N)CC;OIWZHEYPBMMUOH-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378348;MM378348;C#CC=CN(C=N)NC=N;BIGHZRCAIZEOPR-UHFFFAOYSA-N;136.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378349;MM378349;CCC(=N)N(C=N)CC=O;YVKNWUNTUGKJGG-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378350;MM378350;C#CC=CN(C=O)NC=N;YWBDPWPMUWIIAO-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378351;MM378351;C=CCN(C=O)C(=N)CF;LTIYNHHGANWKSH-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378352;MM378352;C#CC=CN(C=O)NC=O;WSCAEOOCYLYHMY-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378353;MM378353;C=CN(CC#N)C(=O)CO;FVMQERRPXSFTBS-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378354;MM378354;C#CC=NN(C=N)CC=C;IDOJADGLXUPAMY-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378355;MM378355;O=CC1CC2CC2(CO)C1;CYOHPJHSYSDGBJ-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378356;MM378356;CNN=CC(C=O)N=CN;DRSMYIXXBDGLEB-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378357;MM378357;CCC(=O)N(C=O)CC=O;UUGZSQNYRZMLPC-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378358;MM378358;C#CCC(C=C)C=CCN;KFXZREGAYXSHTK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378359;MM378359;CCC(=O)N(C=O)CC#N;LJBUEAFRDOPMNI-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378360;MM378360;C#CCC(C=C)C=CCO;GHKUSNVISMQBOH-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378361;MM378361;N#CCN(C=O)C(=O)CO;LNOWLKJWOGUXDU-UHFFFAOYSA-N;142.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378362;MM378362;C#CCC(C=C)C=CCF;BLKIQDYRCYVZIW-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378363;MM378363;N#CCN(C=O)C(=O)CF;AZZVHFZKLPETAK-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378364;MM378364;C#CCC(C=O)C=CCC;WNFSUFFDACTDKK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378365;MM378365;C=CN(CC=O)C(=N)NO;BEMQIHCQVCYYCW-UHFFFAOYSA-N;143.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378366;MM378366;C#CCC(C#N)C=CCC;SENUJDSYGHBAAH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378367;MM378367;CNC(=N)N(C=N)CC=O;RTMUMLHDOZFNLJ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378368;MM378368;C#CCC(C#N)C=CCF;PHXSNUXIXSVQTF-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378369;MM378369;C=CN(CC=O)C(=O)NO;RLUMGVJCBGLMKN-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378370;MM378370;C#CCC(C=C)C=COC;KEYLZDRDFSXOEB-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378371;MM378371;C=CN(CC#N)C(=O)NO;GRJQJPOFAXQVCY-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378372;MM378372;C#CCC(C#N)C=COC;LVBYGQXYACRAQX-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378373;MM378373;C#CC(CC)N1CC1C=O;KRWLNFSNNPTDFR-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378374;MM378374;C#CCC(C=C)C=NNC;HQBIYSNUPTWUMA-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378375;MM378375;C=CCN(C=N)C(=C)OC;JWWXCAVALQFORF-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378376;MM378376;C#CCC(C#N)C=NOC;BYAJGPGUMQCFHR-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378377;MM378377;C=C(OC)N(C=O)CC=O;RXQJZDIIZUKBHX-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378378;MM378378;C#CCN(C=N)C=CCF;SVWFKCZFTSMBGX-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378379;MM378379;C=CCN(C=O)C(=N)OC;MJFAJTWAZNECHD-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378380;MM378380;C#CCN(C=O)C=CCC;IYOWPQMFNRFIKS-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378381;MM378381;COC(=N)N(C=O)CC#N;LVRQBVVKTJYEDV-UHFFFAOYSA-N;141.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378382;MM378382;C#CCN(C=O)C=CCO;VUXVMPGUVASBKN-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378383;MM378383;C=CN(CC#N)C(=O)OC;GDUFREREOQZNOW-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378384;MM378384;C#CCN(C=C)C=NCC;ARHNRWGFUGCQTA-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378385;MM378385;COC(=O)N(C=N)CC#N;UAMPCYXWGNDBIP-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378386;MM378386;C#CC1CC2C(O)C2(C)C1;BFNMGBZPPVZUMS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378387;MM378387;C=CCN(N=C)C(=O)CC;VAEXDSXUJNBGMM-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378388;MM378388;C#CCN(C=C)C=NOC;XXTJAAAVTINPSJ-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378389;MM378389;CC#CC(C)N1CC1C=O;UHQQMKKULNDGEJ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378390;MM378390;C#CCN(C=NCC)N=C;COJZSJIANVZXBV-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378391;MM378391;C=CC(C=O)C(C)N1CC1;VIBWNTSISPFYCC-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378392;MM378392;C#CCN(C=NOC)N=C;DEVCVNOLVZUAOX-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378393;MM378393;CCC1=NN=C(NC)ON1;QOVAUMVOKFOBGW-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378394;MM378394;CCC1(CO)CC1CCF;DYUODQBZNKFELS-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378395;MM378395;C=NN(CC#N)C(=O)NO;QSGFZHPUFLWIDY-UHFFFAOYSA-N;142.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378396;MM378396;C#CCC(C=C)C=CC=C;SFKRYQQTGOIXGV-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378397;MM378397;C=CCN(N=C)C(=O)OC;XTMZWTKEHSBOPQ-UHFFFAOYSA-N;142.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378398;MM378398;C#CCC(C=C)C=CC#N;DDOMMQGVHVJQBA-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378399;MM378399;C=C(CC)N(C=O)NC=N;IVSPDRUJJAQZOM-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378400;MM378400;C#CCC(C=O)C=CC=C;ASKAKYVJGYWOGF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378401;MM378401;C=C(CF)N(C=O)NC=O;LHKZCMYDHQSACI-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378402;MM378402;C#CCC(C#N)C=CC=C;DDLMPCWVTQVMGV-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378403;MM378403;C=CN(NC=N)C(=N)CO;YFGIEENGRQSFEM-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378404;MM378404;C#CCC(C=O)C=CC=O;ARTLKCMUVUOPIR-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378405;MM378405;C=CN(NC=N)C(=N)CF;KSXNFHSRLFOTLR-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378406;MM378406;C#CCC(C=C)C=NN=C;MIISCCGCYIDHLM-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378407;MM378407;N=CNN(C=N)C(=N)CN;OOHQFUWJKSZKHJ-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378408;MM378408;C#CCC(C#N)C=NN=C;AORWYDQEQAZRDT-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378409;MM378409;N=CNN(C=N)C(=N)CO;VPUHAMUHGJSNBB-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378410;MM378410;C#CCN(C=N)C=CC=O;LREXYOZWERAGIK-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378411;MM378411;N=CNN(C=N)C(=N)CF;TYEHMCQSYVSGRN-UHFFFAOYSA-N;145.14;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378412;MM378412;C#CCN(C=CC#N)N=C;JCMXZVKAESAFPR-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378413;MM378413;N=CNN(C=O)C(=N)CO;QZEOTNPWQBUOLQ-UHFFFAOYSA-N;144.13;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378414;MM378414;C#CCN(C=O)C=NC=N;FBSFPHAAZPWOSN-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378415;MM378415;N=C(CO)N(C=O)NC=O;XZNSIYGMRFFQHH-UHFFFAOYSA-N;145.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378416;MM378416;C#CCN(C=C)C=NN=C;ZHMDAMFJTKBXNZ-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378417;MM378417;CCC1C=CC2(CO)CC12;XZFRQYPGIUPTFT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378418;MM378418;C#CCN(C=O)C=NN=C;GBRHWEBWUYVZHJ-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378419;MM378419;N=CN(NC=O)C(=O)CF;FRCAFTBTYGFUHJ-UHFFFAOYSA-N;147.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378420;MM378420;C#CCN(C=N)N=CC=O;YJEXUFXRAINMPJ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378421;MM378421;O=CC1NCC1F;NHJRQLOUIPKHCL-UHFFFAOYSA-N;103.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378422;MM378422;C#CCN(C=O)N=CC=O;OUMGRHRJEZNSCJ-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378423;MM378423;O=CNN(C=O)C(=O)CO;CFIRFXVLKUSGKB-UHFFFAOYSA-N;146.1;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378424;MM378424;C#CC=CN(C=N)CC#C;NJCYXFLNIDYTSK-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378425;MM378425;O=CNN(C=O)C(=O)CF;QRCQFOWBFUGUIW-UHFFFAOYSA-N;148.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378426;MM378426;C#CC(C=CCC)CCC;MIDYJXKVUMMDRM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378427;MM378427;C=CN(NC=N)C(=N)NC;ZOXLKFHUNGMICG-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378428;MM378428;C#CC(C=CCN)CCC;YWHNAXONDTVFAJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378429;MM378429;C=CN(NC=O)C(=N)NC;ICXROTOAIHWULC-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378430;MM378430;C#CC(C=CCO)CCC;ORTTVDODJURORG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378431;MM378431;C=CN(NC=N)C(=N)NN;TZEMCWIRVRXKNJ-UHFFFAOYSA-N;142.17;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378432;MM378432;C#CC(C=CCF)CCC;WQVVACQYXRIMKQ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378433;MM378433;C=CN(NC=N)C(=N)NO;ZGTNYMNWJYYLCJ-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378434;MM378434;C#CC(C=CCC)CCN;QWFVMYYUZQULAL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378435;MM378435;C=CN(NC=O)C(=N)NO;JNWYDHZYXRMEBL-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378436;MM378436;C#CC(C=CCF)CCN;NHDNWEOMGHZXAQ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378437;MM378437;CNC(=N)N(C=N)NC=N;VPUNCMMZPHVNBN-UHFFFAOYSA-N;142.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378438;MM378438;C#CC(C=CCN)CCO;NBICCFYVAKKCTR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378439;MM378439;N=CNN(C=N)C(=N)NN;BPCKFINTCPPWAM-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378440;MM378440;C#CC(C=CCC)CCF;IUDGWFJFPBILSC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378441;MM378441;N=CN(NC=O)C(=N)NN;QUETWJUEIVCKBA-UHFFFAOYSA-N;144.14;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378442;MM378442;C#CC(C=CCN)CCF;JBKDNEFBKMUJLU-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378443;MM378443;N=CNN(C=N)C(=N)NO;ITOUUUXWJTXRAI-UHFFFAOYSA-N;144.14;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378444;MM378444;C#CC(C=COC)CCC;PCQOODKHECDJRA-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378445;MM378445;CNC(=N)N(C=O)NC=N;NROMZJPLTOBGEU-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378446;MM378446;C#CC(C=NNC)CCC;PZNKFEYSGJKBIL-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378447;MM378447;CNC(=N)N(C=O)NC=O;RYUVSAJYFRQUSH-UHFFFAOYSA-N;144.13;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378448;MM378448;C#CC(C=NNC)CCF;SINIPMHOMWFCQB-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378449;MM378449;N=CNN(C=O)C(=N)NN;MWORDLBNAPVWLE-UHFFFAOYSA-N;144.14;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378450;MM378450;C#CC(C=NOC)CNC;BAZMLQXBTOTWKL-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378451;MM378451;N=CNN(C=O)C(=N)NO;GOUHAMZGSGXFCV-UHFFFAOYSA-N;145.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378452;MM378452;C#CC(C=NOC)COC;SKDXPLGYGGUKNB-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378453;MM378453;C=CN(NC=N)C(=O)NO;CVSGOBGGSGAQQM-UHFFFAOYSA-N;144.13;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378454;MM378454;C#CC(C=CCF)NCC;JKAAJOOMEWXIEE-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378455;MM378455;CNC(=O)N(C=N)NC=N;JFTHVIRBTSMDLW-UHFFFAOYSA-N;143.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378456;MM378456;C#CC(C=CCC)OCC;JYBJTIJEJKOANC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378457;MM378457;CNC(=O)N(C=N)NC=O;OFYLCJRYEQCNIQ-UHFFFAOYSA-N;144.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378458;MM378458;C#CC(C=CCO)OCC;MDAWTZBHRWJUGO-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378459;MM378459;N=CNN(C=N)C(=O)NN;XETWFSFPJZSKMH-UHFFFAOYSA-N;144.14;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378460;MM378460;C#CC(C=COC)OCC;ABZNEZHZNZSNQH-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378461;MM378461;N=CN(NC=O)C(=O)NN;DIOWFLCOTAMZGT-UHFFFAOYSA-N;145.12;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378462;MM378462;C#CC(C=NOC)OCC;PMFSGIXTJNIXMF-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378463;MM378463;N=CN(NC=O)C(=O)NO;FNBHFVKMFARRQW-UHFFFAOYSA-N;146.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378464;MM378464;C#CC(C=CC=C)CCC;SKCDFSODVFHEAK-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378465;MM378465;CNC(=O)N(C=O)NC=O;BYDWQYJIIJORTL-UHFFFAOYSA-N;145.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378466;MM378466;C#CC(C=CC=O)CCC;ULPYYUKPFYAGLT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378467;MM378467;NNC(=O)N(C=O)NC=O;QGPVPZZAVXXTRD-UHFFFAOYSA-N;146.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378468;MM378468;C#CC(C=CC#N)CCC;WZKXLAWSHWMTAK-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378469;MM378469;O=CNN(C=O)C(=O)NO;QYQPNQRSAPMMIF-UHFFFAOYSA-N;147.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378470;MM378470;C#CC(C=CC=C)CCF;XPXCUJGRUYQBLT-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378471;MM378471;C=C(OC)N(C=N)NC=N;MANKBEGEGJGNNX-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378472;MM378472;C#CC(C=NN=C)CCF;DMVDAVIPQKDKMS-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378473;MM378473;C=C(OC)N(C=O)NC=N;JICCTGOXTKYURF-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378474;MM378474;C#CC(C=CC=O)OCC;QQDSXRFNKUXFCL-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378475;MM378475;C=C(OC)N(C=O)NC=O;OIIHSTFXTXICQC-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378476;MM378476;C#CC(C=CC#N)OCC;DRCYPFBVCGMODO-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378477;MM378477;COC(=N)N(C=N)NC=N;XPJHSVQAGPPFGF-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378478;MM378478;C#CC(C=NN=C)OCC;LUVNMDLIEBTSOX-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378479;MM378479;C=C(CC)CC(C)O;YVVYIASFOJHEFX-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378480;MM378480;C#CC=CC(C#C)CCC;PNJBFGFGXLPMTJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378481;MM378481;COC(=O)N(C=O)NC=O;YTPSFLCRYRZGRU-UHFFFAOYSA-N;146.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378482;MM378482;C#CC=CC(C#C)OCC;PRKPWDZEXFLWPW-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378483;MM378483;CC=C(C)CC(C)O;XFFLLRTUYRIOTN-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378484;MM378484;C#CC(C=CCC)CC=C;ZWCNKWYEZFLYGY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378485;MM378485;CCC(=N)N(C=O)OC=O;ASGISMHDJYVGJJ-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378486;MM378486;C#CC(C=CCN)CC=C;AHFIKTIJCABBAQ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378487;MM378487;N=C(CF)N(C=O)OC=O;YHTVJJBCRIZAOF-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378488;MM378488;C#CC(C=CCO)CC=C;IFTCJXBVNAVDDZ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378489;MM378489;CCC(=O)N(C=N)OC=O;YIKSWSQCTNDYLT-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378490;MM378490;C#CC(C=CCC)CC=O;VHMRHMRZXBOMQN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378491;MM378491;C#CCC1CC1(C)O;LAWMCQNSGLVLCQ-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378492;MM378492;C#CC(C=CCC)CC#N;LBRSVXNGUOCWCX-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378493;MM378493;C=CN(OC=O)C(=N)NN;UHCQJLIDABXPKT-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378494;MM378494;C#CC(C=COC)NC=O;DMTFFDMWYWYFNS-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378495;MM378495;CNC(=N)N(C=N)OC=O;ZGJXQPVLJFCKMN-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378496;MM378496;C=C1C(CC)CC2CC12O;FTPJTHXTSJBUOX-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378497;MM378497;COC(=N)N(C=N)OC=O;PGUMCGRWPYOXMY-UHFFFAOYSA-N;145.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378498;MM378498;C#CC(C=NNC)NC=N;YTEANMJJECXEID-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378499;MM378499;COC(=O)N(C=N)OC=O;ILHKCWIHNIGWPJ-UHFFFAOYSA-N;146.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378500;MM378500;C#CC(C=CCO)OC=C;ZAHAJPXQMKUHIJ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378501;MM378501;C#CCC(C=O)C(=C)CC;XEDMWVZLBMSCLH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378502;MM378502;C#CC(C=CCF)OC=O;CNKIMMGCDVSYLR-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378503;MM378503;C#CCC(C=O)C(=C)CO;XZGTWTVGSFOCBX-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378504;MM378504;C#CCC(C#N)C(=C)CO;RSGOFIJOOSZVFV-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378505;MM378505;C#CC(C=COC)OC=C;PMKASNFRSTUYJF-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378506;MM378506;C#CCC(C=C)C(=O)CC;HILXVTBQTAFGLA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378507;MM378507;C#CC(C=NNC)OC=O;ZPVNIYSHUXCAEF-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378508;MM378508;C#CCC(C#N)C(=O)CF;CPBZBWKROBQVDP-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378509;MM378509;C#CC(C=NOC)OC=C;UNOJKFUYPWMWOO-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378510;MM378510;C#CCC(C=C)C(=N)NO;HQPWYICHOHLNFR-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378511;MM378511;C#CC(C=CC=C)CC=C;OXEBAYMHKZAPFM-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378512;MM378512;C#CCC(C=O)C(N)=NC;IVXSJDOTWRKMQM-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378513;MM378513;C#CC(C=CC=C)CC=O;LFPZEUGRMNOEDR-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378514;MM378514;CNN=C(N)C(C)=O;UFNVGZOFRVCSRV-UHFFFAOYSA-N;115.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378515;MM378515;C#CC(C=CC=O)CC=O;MRCGOCTUSRVMTH-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378516;MM378516;C#CCC(C#N)C(=O)OC;JACQYRSBRLFOQC-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378517;MM378517;C#CC(C=CC#N)CC=O;SMDNWPCMTCOMDK-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378518;MM378518;C#CCN(C=N)C(=C)CN;RLUWIRYRZKXVPI-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378519;MM378519;C#CC(C=NN=C)CC=C;VPHLLLZRAUTHSG-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378520;MM378520;C#CCN(C=O)C(=C)CN;QAZSMPAOLSKDLQ-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378521;MM378521;C#CC(C=NN=C)CC#N;QQHHFWISYYMZSU-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378522;MM378522;C#CCN(C=C)C(=N)CF;ACPIKGYUSHBBSQ-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378523;MM378523;C#CC(C=CC=O)NC=N;JAGNJTJYGACHPH-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378524;MM378524;C#CCN(C=O)C(=N)CF;KQZBTONCAPWVHF-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378525;MM378525;C#CC(C=CC#N)NC=O;VSFSFQUIGKJYON-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378526;MM378526;C#CCN(C=N)C(=O)CC;AORSFKRANDZREL-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378527;MM378527;C#CCC(C#C)C=CCC;CCGDPBLPJCIJSC-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378528;MM378528;C#CCN(C=O)C(=O)CF;JSINNMPKLVYQMN-UHFFFAOYSA-N;143.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378529;MM378529;C#CCC(C#C)C=CCO;OISXUEBFZNIALW-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378530;MM378530;C#CCN(C=N)C(=N)NC;OYGGKXIYNYUEAV-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378531;MM378531;C#CCC(C#C)C=CCF;FMFLSHYIMMPMAR-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378532;MM378532;CC1=NC(=N)C(=N)N1;XZVOBZKUMFYUKD-UHFFFAOYSA-N;110.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378533;MM378533;C#CCC(C#C)C=COC;OBYDBMAAQMTMDY-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378534;MM378534;C#CCN(C=O)C(=O)NC;HULUYQYYSGIFNU-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378535;MM378535;C#CCC(C#C)C=NNC;RNVRASLHATUIPZ-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378536;MM378536;C#CCN(C=O)C(=C)OC;USCFBOYJFWLYML-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378537;MM378537;C#CCC(C#C)C=NOC;WQRKSHNPXZFIKL-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378538;MM378538;C#CCN(C=C)C(=O)OC;GGRJRSALFUQOTH-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378539;MM378539;C#CCC(C#C)C=CC=C;DVNIEEDLBVQRKB-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378540;MM378540;C=CC(=C)C(C=C)CCF;QDUJJYPJBUFPNA-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378541;MM378541;C#CCC(C#C)C=CC#N;PFENSBDCSLFZBS-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378542;MM378542;C=CC(CCC)C(=C)C=O;FKGLIZOGCSFHNX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378543;MM378543;C#CC=CC(C#C)CC#C;IAWCOIBURKJJFY-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378544;MM378544;C=CC1CC1(C)CO;ZUNSADVTIYMXMS-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378545;MM378545;CC=CC(C=CCC)CC;QSRAUWYTPJSUJS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378546;MM378546;C=CCC1(CO)CC1;AYOAQRKTFULVDJ-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378547;MM378547;CC=CC(C=CCN)CN;OKKNHSOGBJHXFJ-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378548;MM378548;C=CC(=C)C(C=O)CCF;AWGBQYQGIUYPAB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378549;MM378549;CC=CC(C=CCO)CN;KGGJYUBMXBVLJA-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378550;MM378550;C=C(C=O)C(C=O)CCC;CHOIGHXBVMOPND-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378551;MM378551;CC=CC(C=CCF)CN;MNOVVPMCVRBYDI-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378552;MM378552;C=C(C#N)C(C=O)CCC;QDENTMBKYUYKQB-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378553;MM378553;CCC=CC(C=CF)CN;GSDOJHPHMHSTOK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378554;MM378554;C=C(C=O)C(C=O)CCO;NTICBDMEUHWRBR-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378555;MM378555;C#CC1CCC(=CC)C1O;IVCOJVLJGQJIBY-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378556;MM378556;C=C(C#N)C(C#N)CCO;RLIXHBHHSCTOIQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378557;MM378557;CC=CC(C=CCO)CO;CKLQTNGCNNNJEK-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378558;MM378558;C=C(C=O)C(C#N)CCF;WJVMGWYJUSCCDX-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378559;MM378559;CC=CC(C=CCN)CF;ZGGPOKJNCDEHMY-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378560;MM378560;C=C(C#N)C(C=O)CCF;LBJYXDFGWCTKBK-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378561;MM378561;CC=CC(C=COC)CN;UUJNORGQUHFSMG-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378562;MM378562;C=C(C#N)C(C#N)CCF;FUIHTYRLJJRXBQ-UHFFFAOYSA-N;138.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378563;MM378563;NCC=CC(C=NO)CO;CDDKJSUAELMQJB-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378564;MM378564;C=CC(=O)C(C#N)CCC;GANYTADIDWVNRA-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378565;MM378565;CC=CC(C=CCC)NC;DHNHTQPNUCLEBS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378566;MM378566;CC(OC(=O)CO)C(=O)O;HKVBZVITUCIVRZ-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378567;MM378567;CC=CC(C=CCO)NC;UFPPJMUXEJBULJ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378568;MM378568;O=C(CO)CC(O)C(=O)O;YVXXPGROVYTBAL-UHFFFAOYSA-N;148.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378569;MM378569;CNC(C=CF)C=COC;GXDASIZLDBJHKH-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378570;MM378570;C=CC(COC)C(=C)C=O;WMBCGGVKSDZVLP-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378571;MM378571;CC=CC(C=CCC)OC;FNSZEDJATJIVQY-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378572;MM378572;C=C(C#N)C(C=O)COC;MWQFRODNJCQIOI-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378573;MM378573;COC(C=CF)C=CCO;CLSPAXCTVDUEHS-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378574;MM378574;C=C(C#N)C(C#N)COC;XTVXCWRYVMYLPA-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378575;MM378575;CC=CC(C=NNC)CC;AUNCFZGGMBTUPM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378576;MM378576;C=CC(=C)C(C=C)NCC;HNMSCSKTNKFWSD-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378577;MM378577;CCC(C=CF)C=NNC;JUWXSSXCPIBXGI-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378578;MM378578;C=CC(NCC)C(=C)C=O;UXHBDLYTXSMJQO-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378579;MM378579;CC=CC(C=NNC)CN;QBOOVHPCMIGRMC-UHFFFAOYSA-N;141.22;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378580;MM378580;C=C(C=O)C(C#N)NCC;FBFRTGPLNKIAEB-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378581;MM378581;CNc1[nH]cc(OC)c1C;GMVKDSLMDOCUDD-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378582;MM378582;N#CCN1CC1C=O;DXJFERYTDQMHHU-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378583;MM378583;CON=CC(C=NO)CN;CYJZPKYGQRWNTH-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378584;MM378584;C=C(CCC)CC(C)O;NACZIWAQOQKMNI-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378585;MM378585;CNN=CC(C=NO)NC;BJYVONHLEGRDHP-UHFFFAOYSA-N;144.18;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378586;MM378586;C=C(C=O)C(C#N)OCC;PTJITSGFLPFOAI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378587;MM378587;CCC=CN(C=NC)NC;CFVKZBGIBOXUBX-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378588;MM378588;C=CC(=O)C(C#N)OCC;RWKFOWVRWLWLEM-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378589;MM378589;N#CC(=CF)C1NC1C=O;UYFXYNSYAQVHGK-UHFFFAOYSA-N;140.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378590;MM378590;C=CC(=C)N(C=O)CCO;WQRGSHXKJNKEDH-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378591;MM378591;C#Cc1cc(N)c[nH]1;USLXDBJRZSUWNY-UHFFFAOYSA-N;106.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378592;MM378592;C=C(C=O)N(C=O)CCO;BRCYVFSXXORISJ-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378593;MM378593;N=C(N)C(=O)C1CN1;IIYHNPLIOCAFGD-UHFFFAOYSA-N;113.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378594;MM378594;C=CC(O)CC(C)(C)C;FKDLJTJPMSQIDD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378595;MM378595;C=C(C#N)N(C=O)CCO;XRLGURARFFIVKT-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378596;MM378596;CCC=CN(C=NO)OC;KNPMOYMCZUHKKF-UHFFFAOYSA-N;144.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378597;MM378597;C=CN(CCF)C(=N)C#N;HTOJLVMCYQWFPO-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378598;MM378598;C=C(C)CC(C)(C)CO;IPCBOHBHGXVTER-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378599;MM378599;C=CC(=N)N(C=N)CCO;CYLFIIWXAMSLDE-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378600;MM378600;C=C(CCF)CC(C)O;GRGXIXLBLQQSDZ-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378601;MM378601;CC=CN(C=NCC)NC;OTPKPNRBDHLZFS-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378602;MM378602;COCC(=O)N(C)C=N;MJSXZKJGXGCEGM-UHFFFAOYSA-N;130.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378603;MM378603;CC=CC(O)CC(C)C;RQAFKZOPSRTJDU-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378604;MM378604;CNN=C(NC)C(C)=O;NBYZQTWKIGLULH-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378605;MM378605;C=CC(O)C(C)CCC;RGNIZKWAMRSFKU-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378606;MM378606;CCCN(C=O)C(=N)C=O;SFKOCOJQZGLJCA-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378607;MM378607;CNN=CN(C=NO)OC;BJHALSGCTOCHNO-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378608;MM378608;N=C(C=O)N(C=O)CCO;SWJYRWHFYWOIQQ-UHFFFAOYSA-N;144.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378609;MM378609;C=C(F)C(=NNC)NN;IDJIIUUNAQVAHU-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378610;MM378610;C=CN(CCC)C(=O)C#N;MMNBCXAGLNLUJZ-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378611;MM378611;CON=CN(C=NO)OC;IRWCGXJCURBKDB-UHFFFAOYSA-N;147.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378612;MM378612;C=C(CC(C)O)CC(C)O;JVVBNELKFDCHOV-UHFFFAOYSA-N;144.21;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378613;MM378613;CC=NN(C=NCC)CC;HMYKCUYTWIVRGP-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378614;MM378614;N#CC(=O)N(C=O)CCO;LHRRDNNURMBQTM-UHFFFAOYSA-N;142.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378615;MM378615;CC=NN(C=NOC)CC;ROQCKDRXJDEOMD-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378616;MM378616;N#CC(=O)N(C=O)CCF;NJJQKLLGBQBIIB-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378617;MM378617;CCN(C=NO)N=CCO;YXZQCNSTCWEEIM-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378618;MM378618;C=C(CC(C)O)CC(C)F;RUWRLWGFNNKHEW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378619;MM378619;CC=CC(C=CC#N)CC;LRJHPNNEJVBDIG-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378620;MM378620;C=NN(CCC)C(=N)C#N;UTFZDFJZZVYSDP-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378621;MM378621;C=CC=CC(C=CC)CN;JHUGXVMZTUZWLY-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378622;MM378622;C=C(CC(C)O)CC(F)F;HTSWZCJXMBDFBZ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378623;MM378623;C=CC=CC(C=CF)CN;IPPHQFNPXDRLFN-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378624;MM378624;C=NN(CCF)C(=N)C=O;VDHZCXGZGPDAAD-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378625;MM378625;C=CC=CC(C=NN)CC;RZRWIWGDORLPQG-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378626;MM378626;C=NN(CCC)C(=O)C#N;HTPZOBCSMJMGDX-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378627;MM378627;C=CC=CC(C=NN)CF;RTSHMLRKULULGG-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378628;MM378628;CC(=CC(C)F)CC(C)O;KBHCJBOROHUTSQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378629;MM378629;N#CC=CC(C=NO)CF;STVRZMVUMPCDFD-UHFFFAOYSA-N;142.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378630;MM378630;C=CC(=C)N(C=N)NCC;HDNFKOYCHIJMIW-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378631;MM378631;CC=CC(C=CC=O)NC;AEDKTFAYDQOMOU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378632;MM378632;C=C(C#N)N(C=O)OCC;HVZBYXQFRAWYHF-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378633;MM378633;C=NN=CC(C=CF)CC;OOKKIELOIGGQAK-UHFFFAOYSA-N;142.18;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378634;MM378634;CCON(C=O)C(=N)C=O;KHMNAUYAMHLVLS-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378635;MM378635;C=NN=CC(C=CC)CF;DWFZNDFPMQPABL-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378636;MM378636;C=CN(OCC)C(=O)C#N;KUALVNJLYFXJQL-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378637;MM378637;C=NN=CC(C=CF)CF;PSDVADISRKYXFI-UHFFFAOYSA-N;146.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378638;MM378638;C=CC(=O)N(C=O)OCC;VFTBOCBMVYSAKT-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378639;MM378639;C=NN=CC(C=NN)OC;RPELAYDLMGEESU-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378640;MM378640;C=CC(=C)C(C=C)CC=O;CFLCEWOKPKGXIO-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378641;MM378641;C=C1C(=C)C(O)CC1C;QXNIBTKUAMLWJL-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378642;MM378642;C=CCC(C=C)C(=C)C=O;DJTGGZHGGYSIBU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378643;MM378643;CCN(C=CF)C=NC=N;XPTKKDRREWKMOV-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378644;MM378644;C=CCC(C=C)C(=C)C#N;PJBJGYUSWIAYDS-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378645;MM378645;C=C1C(C)=CC(O)C1C;IPNHCJMDJLEDRJ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378646;MM378646;C=CC(CC#N)C(=C)C=O;AFMWQOSFCDDCKQ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378647;MM378647;C=C1CC(O)C(C)=C1C;HIFZUEUVPXNHBB-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378648;MM378648;C=CC(CC=O)C(=C)C#N;PGTRDAYSOBNESU-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378649;MM378649;C#Cc1[nH]c(C)cc1N;LJBFQNOGOIUXHQ-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378650;MM378650;C=CC(CC#N)C(=C)C#N;QNKBNFITQGFPKL-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378651;MM378651;C=NN=CN(C=NC)OC;GATGKAXNJUYUSU-UHFFFAOYSA-N;142.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378652;MM378652;C=CC(=C)C(C=O)CC=O;IGNWFKWVSGLDMC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378653;MM378653;CC=NN(C=CC#N)CC;BZJIORMQVWXWRY-UHFFFAOYSA-N;137.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378654;MM378654;C=CC(=C)C(C=O)CC#N;DTOPSVLYOXBHOR-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378655;MM378655;C=CC=NN(C=NC)CC;YBNWXOWLRGUGJI-UHFFFAOYSA-N;139.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378656;MM378656;C=CCC(C#N)C(=C)C=O;HKFCUYISRBBHEE-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378657;MM378657;C#Cc1[nH]c(N)cc1N;JLWYNSQEDMLVTA-UHFFFAOYSA-N;121.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378658;MM378658;C=CCC(C=O)C(=C)C#N;ATJLRLMSDXBBLN-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378659;MM378659;CC1CC1C1CC1(C)O;YXHQFMICAUIRMS-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378660;MM378660;C=CCC(C#N)C(=C)C#N;ZLWJNBRUIRYNFE-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378661;MM378661;C#CC=CC(C=CF)CN;CIEHQSGPMZFLQQ-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378662;MM378662;C=C(C=O)C(C=O)CC=O;IRQJFRZAUBPEBQ-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378663;MM378663;C#CC#CC(=O)C1CN1;UVYWHTDNAAUKEU-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378664;MM378664;C=C(C#N)C(C#N)CC#N;FFWCTURZNLZWNR-UHFFFAOYSA-N;131.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378665;MM378665;C#CC=CC(C=NO)CO;SGPAUBUZQMAKPY-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378666;MM378666;C=CCC(C=C)C(=O)C=C;CXTIEDBQJRMQCG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378667;MM378667;C#CC=CC(C=CF)NC;JLPLMVLMCZFQTF-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378668;MM378668;C=CC(=O)C(C=C)CC=O;NXWMGRFXTPTLGJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378669;MM378669;C#CC=CC(C=NN)OC;XFASPMWLVSYKIZ-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378670;MM378670;C=CC(=O)C(C=C)CC#N;JSARXXQBXMXJDN-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378671;MM378671;C=CC(C=CC)C=CCC;RWRYSJZADGAXJW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378672;MM378672;C=CC(CC#N)C(=O)C#N;BFGMPBDBGZBMGP-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378673;MM378673;C=CC(C=CC)C=CCN;DVBXMOWXILBVJU-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378674;MM378674;C=CCC(C#N)C(=O)C=C;CKCBPPHEQYNYTP-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378675;MM378675;C=CC(C=CF)C=CCN;ZBBRQTYKUOOFPJ-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378676;MM378676;C=CC(NC=N)C(=C)C#N;KLMWVMGJSWMZML-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378677;MM378677;CC=CC(C#N)C=CCC;DGMFHEIGBQGRRB-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378678;MM378678;C=CC(NC=O)C(=C)C#N;LNFWISNSZYDGJX-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378679;MM378679;CCC=CC(C=O)C=CF;WDZDOHQMTKIPOF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378680;MM378680;C=CC(=C)C(C#N)NC=N;KENOFSKAJBLHBJ-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378681;MM378681;C=CC(C=CCC)C=NN;VSHNOSJCNWHYBN-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378682;MM378682;C=CC(=C)C(C#N)NC=O;PPWWYFFFWPWZQV-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378683;MM378683;C=CC(C=CC)C=NNC;NLRPBAGQYJPAGX-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378684;MM378684;C=C(C#N)C(C=O)NC=N;BORALZMLLHBGMR-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378685;MM378685;CC=CC(C#N)C=NOC;QNTSXCMVAZNSBT-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378686;MM378686;C=C(C#N)C(C=O)NC=O;RBKWRCYJGBVMEF-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378687;MM378687;CC=CN(C=N)C=CCN;PZKNTZBDKNXPAY-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378688;MM378688;C=CC(NC=N)C(=O)C#N;PXUDIFUJNKSCSG-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378689;MM378689;N=CN(C=CF)C=CCO;BPDVWDREZZAHKS-UHFFFAOYSA-N;144.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378690;MM378690;C=CC(NC=O)C(=O)C#N;FHOLYDXFGOOPBU-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378691;MM378691;N=CN(C=CF)C=CCF;SDCVKOSHURCTNR-UHFFFAOYSA-N;146.14;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378692;MM378692;N#CC(NC=O)C(=O)C=O;QYBYVMJHLPAHAO-UHFFFAOYSA-N;140.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378693;MM378693;CC=CN(C=O)C=CCN;NVFASNSDFMTJNL-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378694;MM378694;CC(=CC(F)F)CC(C)O;ULRKLCBWWSTFNM-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378695;MM378695;CC=CN(C=O)C=COC;LUBPWZJJHOQOSE-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378696;MM378696;C=CC(=C)C=CC(C)(C)O;PVPIBXDFRITIBO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378697;MM378697;C=CN(C=CCN)C=NC;GOTDMWJKYJDAMA-UHFFFAOYSA-N;139.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378698;MM378698;C=C(C=O)C=CC(C)(C)O;KURNXYGEUAWNQF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378699;MM378699;CC(=CC(C)(C)O)CC=O;ONLCGCGLOBSFCX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378700;MM378700;CC(C#CC=O)C(C)(C)O;HIUFZMSBCUCZHC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378701;MM378701;COC=CN(C=O)C=NO;ZDERUECFVWEWQR-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378702;MM378702;CC#CCC(C)(O)C=CC;FTMWRFZTCNOYTH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378703;MM378703;C=NN(C=CCC)C=NO;SHMCTWNCYPQFNR-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378704;MM378704;C=COC(C#N)C(=C)C=O;JHRKZJGSYZBMHA-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378705;MM378705;C=C(CC)CC(C)(C)CO;PBQOVBQODZIOSV-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378706;MM378706;C=COC(C#N)C(=C)C#N;XHBVASXRURRFFP-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378707;MM378707;C=NN(C=COC)C=NO;HFMJAGLMCGOJEX-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378708;MM378708;C=C(C#N)C(C#N)OC=O;RDZYDJJFCMKZSZ-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378709;MM378709;C=CN(C=CC)C=NCC;OKLYETMMANCUCJ-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378710;MM378710;C=COC(C#N)C(=O)C=C;OWPRDKKZIYHADG-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378711;MM378711;CC(=CF)CC(C)(C)CO;ZAGCLQXHFMDWAK-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378712;MM378712;C=C(CCCF)CC(C)O;NNLYWXJGAZICLJ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378713;MM378713;C=CC(=C)C(C)CC(C)O;GKRBXVJKVDNZPL-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378714;MM378714;C=NOC(C#N)C(=C)C#N;CMYRFWIIZPPUJH-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378715;MM378715;C=C(C=O)C(C)CC(C)O;RGYRERSCDXBGNL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378716;MM378716;C=C(CCC=O)CC(C)O;SIQSZYJMPWADTK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378717;MM378717;CC=CN(C=O)C=NOC;VLRZEODHIPYQFE-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378718;MM378718;C=CC(=O)C(C#N)ON=C;MRQPQGRWAZVUMR-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378719;MM378719;CC#CC(C)CC1(O)CC1;WKNHFQONJAXUHC-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378720;MM378720;C=CC(=C)N(C=N)CC#N;MQQHFENDOBIAEQ-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378721;MM378721;C=CCC(C=C)CC(C)O;MVQMZWRUMNECSN-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378722;MM378722;C=C(C=O)N(C=N)CC#N;COENQKSQJONGNY-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378723;MM378723;CCN=CN(C=O)C=NC;JMDOAEOPZKLRQR-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378724;MM378724;C=CC(=C)N(C=O)CC#N;HYYXLIPWEDKFKC-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378725;MM378725;O=CC=NNCC=C(F)F;JYONLWGWYFWTKE-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378726;MM378726;C=CCN(C=O)C(=C)C#N;SUPKTNKUAQMZMB-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378727;MM378727;CCCC=CC(O)C(C)C;HZYRZLVSSYYSDP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378728;MM378728;C=CC(=N)N(C=C)CC=O;ZIYYAOVECMFKFS-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378729;MM378729;CC(C)C(O)C=CCCF;OLZXCRRHMYABPL-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378730;MM378730;C=CC(=N)N(C=C)CC#N;PCEYLVMERUETMS-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378731;MM378731;C=C(F)C(=NNC)NNC;DKIBWNZLQMVOIV-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378732;MM378732;C=CN(CC#N)C(=N)C#N;BTZYDZLKWIVYGP-UHFFFAOYSA-N;134.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378733;MM378733;C=NN(C=CC)C=NCC;VCLUFVOPIAXMJL-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378734;MM378734;C=CC(=O)N(C=C)CC#N;GMJBOGPLIKUAST-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378735;MM378735;C=NN(C=NC)C=NCC;GDKKVJVUGSEOQD-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378736;MM378736;C=CC(=O)N(C=O)CC#N;QLCRMHXZGLLFEP-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378737;MM378737;CCC1(CC)CC(O)C1C;UQLQHTLQAZPIQN-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378738;MM378738;C=CCN(N=C)C(=N)C#N;OMSJSJJCMOSJRN-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378739;MM378739;C=NN(C=NO)C=NNC;OJWPISFAMWHIPI-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378740;MM378740;CC(=CCC=O)CC(C)O;GZKCDUPRCRFXJN-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378741;MM378741;C=C(C#N)CNN=CC=O;LPDVBZQLHWPWJT-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378742;MM378742;C=CCN(N=C)C(=O)C#N;GRFJWLHPKJMQKS-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378743;MM378743;CC=NN(C=N)C=CCF;KWOJHUPANYSVIG-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378744;MM378744;C=C(C=O)N(C=N)NC=N;LHVMADQAXORLLL-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378745;MM378745;CC=NN(C=O)C=CCF;UJEVGLUNSFQJGC-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378746;MM378746;C=C(C#N)N(C=N)NC=N;YOSRPGRCBCSHEQ-UHFFFAOYSA-N;137.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378747;MM378747;C=CN(C=NCC)N=CC;QWCKZVSVYGMEQJ-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378748;MM378748;C=C(C=O)N(C=O)NC=N;WOFLTTMMIUTQLI-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378749;MM378749;C=C(C#N)N(C=O)NC=N;UMHFMWMQNWRNML-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378750;MM378750;CC=NN(C=N)C=NCC;CMMZYERDTNLOEY-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378751;MM378751;C=CN(NC=N)C(=N)C=O;VJNORZRJBFOQBY-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378752;MM378752;C=CN(C=NOC)N=CC;KNLJUAMSXZOZLU-UHFFFAOYSA-N;141.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378753;MM378753;N#CC(=N)N(C=N)NC=N;AUFDXOWTHMZYCX-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378754;MM378754;CC=NN(C=N)C=NOC;KSJBPILVXZHLRC-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378755;MM378755;CC(=CCC#N)CC(C)O;NJCOARZHIMTRMG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378756;MM378756;C=CC(=O)CON=CC=O;BLHUXHPNBACIQC-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378757;MM378757;CC(=N)N=C(NN)OC=O;BYKGYFFWAYQQGN-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378758;MM378758;C=NOCC(C=O)=NNC;WBBYUKLQFMZZHL-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378759;MM378759;N=CNN(C=O)C(=N)C=O;JWXRUTPPHGFCEP-UHFFFAOYSA-N;142.12;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378760;MM378760;C=CN(C=NC)N=COC;YPPAUZYLDPLYOL-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378761;MM378761;N#CC(=N)N(C=O)NC=N;NVDLONCFVWTVGW-UHFFFAOYSA-N;139.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378762;MM378762;CN=CN(C=N)N=COC;NUEHLIMKZNBVGG-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378763;MM378763;N=C(C=O)N(C=O)NC=O;HXNPFFWOZSGLEU-UHFFFAOYSA-N;143.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378764;MM378764;C=CC(C=CC)C=CC=O;IHMFUYLYYWOAQU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378765;MM378765;N#CC(=O)N(C=N)NC=N;KMSHNALWZWQXHT-UHFFFAOYSA-N;139.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378766;MM378766;C=CC=CC(C=O)C=CC;XLZHPJIXEWSLPR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378767;MM378767;N#CC(=O)N(C=N)NC=O;LJOGHOGCMYOEKD-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378768;MM378768;C=CC=CC(C#N)C=CC;ALKAAMSPSRGQRX-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378769;MM378769;C=CC(=O)N(C=O)NC=O;OOCIHGIBORWPFS-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378770;MM378770;CC=CC(C=O)C=CC=O;NWYZEIZONVNLOS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378771;MM378771;O=CNN(C=O)C(=O)C=O;AEAAOEUKHIQUSR-UHFFFAOYSA-N;144.09;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378772;MM378772;CC=CC(C#N)C=CC#N;RQRUJNSREFVNGQ-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378773;MM378773;N#CC(=O)N(C=O)NC=O;AXJRQEQDZKIZDN-UHFFFAOYSA-N;141.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378774;MM378774;C=CC=CC(C=O)C=CF;HYVFYFWUHLUWCL-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378775;MM378775;C=C(C=O)N(C=N)OC=O;VVZJQNYCWYQCDV-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378776;MM378776;N#CC=CC(C=O)C=CF;UERVCSOUFVZYGO-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378777;MM378777;C#CCC(C=C)C(=C)C=O;LDWLITKSFPTTKI-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378778;MM378778;O=CC=CC(C=O)C=NO;PNONPDOZJGCVEB-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378779;MM378779;C#CCC(C=C)C(=C)C#N;WMXOFVYXRRKDBW-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378780;MM378780;C=CC(C=CC)C=NN=C;ALQVICYTUJKORF-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378781;MM378781;C#CCC(C=O)C(=C)C=C;QWVUODVOQLFFMZ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378782;MM378782;O=CC=CN(C=O)C=CF;VQKLRJSYDAUBDK-UHFFFAOYSA-N;143.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378783;MM378783;C#CCC(C=O)C(=O)C=C;JWSZFUOGKHGXMA-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378784;MM378784;C=CN(C=CC#N)C=NO;FJQUFHIEXMRRSV-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378785;MM378785;C#CCN(C=C)C(=N)C=O;SSLKKNYUJPFFHG-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378786;MM378786;CC=NNC(C#N)=NOC;KFEGPLPPZZJKHU-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378787;MM378787;C#CCN(C=N)C(=N)C=O;HBCNPCGRMNUZPB-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378788;MM378788;N#CC=CN(C=O)C=NO;TVHCFWDHZDBVFF-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378789;MM378789;C#CCN(N=C)C(=N)C=C;YRYKYXFWPAIFQN-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378790;MM378790;C=CC=CN(C=NC)N=C;JXBGIUPPBXKWNI-UHFFFAOYSA-N;137.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378791;MM378791;C#CCN(N=C)C(=O)C=C;UCDWSKUERMWGJE-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378792;MM378792;C=NN(C=CC=O)C=NO;WAYVPNUSMUHMSF-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378793;MM378793;CN=CN=CNC=C(F)F;VEDBXKTXCRYEDG-UHFFFAOYSA-N;147.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378794;MM378794;C=NN(C=CC#N)C=NO;XVAJESGCMLWTAV-UHFFFAOYSA-N;138.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378795;MM378795;C#CC(=C)C(C=C)CCF;YGGIVJNPKXLTDP-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378796;MM378796;C#CC(=C)C(C=O)CCC;GCDOBXONUHULLY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378797;MM378797;C=CN(C=CC)C=NC=O;PIVKSEFHBLDCKI-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378798;MM378798;C#CC(=O)C(C=O)CCC;GLQCAAKEEQSWIM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378799;MM378799;N=CN=CN(C=O)C=CF;VIXWZJLWCIZBJH-UHFFFAOYSA-N;143.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378800;MM378800;C#CC(=O)C(C=O)CCF;DOWKAUISAFGDDC-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378801;MM378801;CC=NN=C(NN)OCC;ACBHCCNGARUOFR-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378802;MM378802;C#CC(=C)C(C=C)CNC;HFDQFRLQIOLRMJ-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378803;MM378803;CCNN=C(CC)C(C)=O;FJRUIUKQNYFEET-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378804;MM378804;C#CC(=C)C(C#N)COC;HFVHLJOXOCUFLE-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378805;MM378805;CN=CN(C=N)C=NC=N;BWXUXOUYARYHCX-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378806;MM378806;C#CC(=C)C(C=C)NCC;IISZSMVSRJKIQP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378807;MM378807;CN=CN(C=O)C=NC=N;GXUQBSGTKZBEOA-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378808;MM378808;C#CC(=C)C(C#N)NCC;NUQYFSJJRQUPMQ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378809;MM378809;NN=CN(C=O)C=NC=O;AVDUHUBAGBFWFN-UHFFFAOYSA-N;142.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378810;MM378810;C#CC(=C)C(C#N)OCC;QHOZOPIFUYLLHF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378811;MM378811;C=NN=CN(C=N)C=NC;WWOAWCWYRGAOJX-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378812;MM378812;C#CC(=C)N(C=O)CCN;PZTXZFKHPLPEEW-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378813;MM378813;C=NN=CN(C=O)C=NC;JKATWVWVZOECSB-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378814;MM378814;C#CC(=N)N(C=O)CCN;ZXBZYTYZEXOXCQ-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378815;MM378815;C=NN(C=CC)C=NC=O;MUJOLJPTBKWATH-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378816;MM378816;C#CC(=O)N(C=N)CCN;QRPRCIHVOKYMLW-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378817;MM378817;C=C1C(C)=C(C)CCC1O;GGGKZVGYAUXPNJ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378818;MM378818;C=C(CC=O)CNCC#N;FHLXNENGSNSFIA-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378819;MM378819;CCC1CC1C1CC1(C)O;WSCRTIRZTOHKCK-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378820;MM378820;C#CC(=O)N(C=O)CCN;VHXGSNBKEAXDJJ-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378821;MM378821;C=NN(C=NO)C=NC=N;JCUBKBBDVKEYSQ-UHFFFAOYSA-N;141.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378822;MM378822;C#CC(=N)N(CCC)N=C;IOXZFURUUYHSBE-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378823;MM378823;C=NN=CN(C=NC)N=C;JMUQPPTTZKGOJJ-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378824;MM378824;C#CC(=C)C(C=C)CC=O;YMTDCVMGHWYBDQ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378825;MM378825;CCC=NN=C(NN)OC;OHWBHCNBHAHLSF-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378826;MM378826;C#CC(=C)C(C=O)CC=O;FMKUNMRBWOAAPP-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378827;MM378827;C=NN=CN(C=NO)N=C;IMIQVEZCDHHQFB-UHFFFAOYSA-N;141.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378828;MM378828;C#CC(=C)C(C#N)CC#N;ZKWGKRIETMTFKV-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378829;MM378829;CC=NN(C=N)C=CC#N;RQQPHWNTPIDCSX-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378830;MM378830;C#CC(=O)C(C=C)CC=C;CSJOCPQAIGWGHO-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378831;MM378831;C=CN(C=NC=O)N=CC;FJPIFMCYIJEEKZ-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378832;MM378832;C#CC(=O)C(C=C)CC=O;MCKSTGDSUFEUFX-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378833;MM378833;CC=NN(C=O)C=NC=N;OKBBICWFEVNWNA-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378834;MM378834;C#CC(=C)C(C=C)NC=N;JLRIPSLVRPZYCS-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378835;MM378835;C=CN(C=NN=C)N=CC;DEIXMIYUVBMHHL-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378836;MM378836;C#CC(=C)C(C=C)NC=O;GMAZHSCGESJKJF-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378837;MM378837;C=CC=NN(C=N)C=CC;XNDWKOZOHRYUSE-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378838;MM378838;C#CC(=C)C(C#N)NC=N;CSTLCQUPWXJZGV-UHFFFAOYSA-N;133.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378839;MM378839;C=CN(C=NC)N=CC=O;OIVSDPXRXONLOA-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378840;MM378840;C#CC(=O)C(C#N)NC=O;NDNNMSKRXHDEQC-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378841;MM378841;C=CN(C=NO)N=CC=O;CMIGHTURIPXEPL-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378842;MM378842;CN=CN(C)C(=O)COC;NFRRXXVZLMJYMM-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378843;MM378843;C=CC=NN(C=N)C=NC;OPKHMKZAQDBLMC-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378844;MM378844;C#CC(=C)C(C#N)OC=C;GGWKQNYDLRHCJJ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378845;MM378845;N=CN(C=NO)N=CC=O;VVWXJPVEAYVUGO-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378846;MM378846;C#CC(=C)C(C#N)OC=O;ZLSLHPVXKRVYSK-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378847;MM378847;C=CC=NN(C=O)C=NC;MMOBCCHMEBOPLI-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378848;MM378848;C#CC(=C)C(C#N)ON=C;OTQDMIXXBPSMQM-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378849;MM378849;C#CC=CC(C=O)C=CC;UTBRBCONVOCSQG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378850;MM378850;C#CC(=C)N(C=O)CC=O;MHFFLBNMPNVXTF-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378851;MM378851;C#CC=CC(C#N)C=CC;WKUFSDVBBPFLNC-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378852;MM378852;C#CC(=N)N(C=O)CC#N;OEXFOHPBNKIDDE-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378853;MM378853;C#CC(=N)N(CC=C)N=C;FCJAJMIJHKLFQK-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378854;MM378854;C#CC=CN(C=C)C=NO;KLBSLHAUWMLFBP-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378855;MM378855;C#CC(=O)N(CC=C)N=C;PYEQVCVPZWYPIS-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378856;MM378856;N#CCC1CC(C=O)=NN1;HHGKDUMIPSTMTB-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378857;MM378857;C#CC#CCC(C)C(C)O;UWRMBBWLQWYJLR-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378858;MM378858;CCCc1ccc(NC)[nH]1;VZICNYNHRWJZAY-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378859;MM378859;C#CC(=O)N(CC#N)N=C;IEALHKJIEMUFQO-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378860;MM378860;C#CC=CN(C=NO)N=C;NFRKUBFCHRGLSV-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378861;MM378861;C#CC(=C)N(C=N)NC=N;PYBDENKEHHUAKE-UHFFFAOYSA-N;136.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378862;MM378862;C#CC=CN(C=O)N=CC;SYAADOOFAJIHLV-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378863;MM378863;C#CC(=C)N(C=O)NC=N;CONOITJYYSCYOZ-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378864;MM378864;CCNc1c[nH]c(N=N)c1;LRWKUDZBLRJODD-UHFFFAOYSA-N;138.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378865;MM378865;C#CC(=N)N(C=C)NC=N;ZANANVNCMUMDCJ-UHFFFAOYSA-N;136.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378866;MM378866;C#CC=NN(C=C)C=NO;NVIYCFDZLRBBOL-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378867;MM378867;C#CC(=N)N(C=N)NC=N;HJUDAINBPCZYHF-UHFFFAOYSA-N;137.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378868;MM378868;C=CC1=CC2CC2(CO)C1;YXOIRBBYRMXCPA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378869;MM378869;C#CC(=N)N(C=O)NC=N;XURSQDBAFVGCBV-UHFFFAOYSA-N;138.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378870;MM378870;C#CC(C=CC)C=CCN;DFBGEEBFTGXMMA-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378871;MM378871;C#CC(=N)N(C=O)NC=O;KLJFGGCNDJFBQT-UHFFFAOYSA-N;139.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378872;MM378872;C#CC(C=CC)C=CCO;XQFMNWJBMNNBDF-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378873;MM378873;C#CC(=O)N(C=N)NC=N;JHIYDDKKGLDLNU-UHFFFAOYSA-N;138.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378874;MM378874;C#CC(C=CF)C=CCN;ZDZUXIGHQFCTMS-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378875;MM378875;C#CC(=O)N(C=N)NC=O;PNNHXQJVLGNBHR-UHFFFAOYSA-N;139.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378876;MM378876;C#CC(C=CCC)C=NN;PGYPXMUTEYAGQS-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378877;MM378877;C#CC(=O)N(C=O)NC=O;GVPYPZRSJMCUIW-UHFFFAOYSA-N;140.1;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378878;MM378878;C#CC(C=CC)C=NNC;MYUWPHDBARJUDB-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378879;MM378879;C#CC(=O)N(C=C)OC=O;MYGRQZZYDMVZNW-UHFFFAOYSA-N;139.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378880;MM378880;C#CC(C=CF)C=NNC;SNRWYAJNKGOHGQ-UHFFFAOYSA-N;140.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378881;MM378881;C#CCC(C#N)C(=O)C#C;TXCXGRVZNWDZJF-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378882;MM378882;C#CC(C=NN)C=NNC;SVCNFJMZQADXLM-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378883;MM378883;C#CCN(C=O)C(=N)C#C;XSIXHEBYUKHWIO-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378884;MM378884;C#CC(C=CC)C=CC=C;IVONQMSMWYNAJN-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378885;MM378885;C#CC(C#C)C1CC1(C)O;NRLYHAVYUHPSGH-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378886;MM378886;C#CC(C=CC)C=CC=O;OIOZSUZVSBOFAZ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378887;MM378887;C#CC(CCF)C(=C)CC;XQTPLQCFTDIITH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378888;MM378888;C#CC(C=CF)C=CC#N;ZAZAFGAERSRZQR-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378889;MM378889;C#CC(CCF)C(=C)CN;OPVISQHIVFFDGR-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378890;MM378890;C#CC(C=CC)C=NN=C;JAKHTJWAEOZBSV-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378891;MM378891;C#CC(CCF)C(=O)CC;ZFWSHPYITAQBKN-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378892;MM378892;C#CC(C=CF)C=NN=C;DJURZDCGUAPBPM-UHFFFAOYSA-N;138.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378893;MM378893;C#CC(CCO)C(=O)CF;ZYSGUNWWMPBZGB-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378894;MM378894;C#CC=CC(C#C)C=CC;DPDMEIQRSIXAPN-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378895;MM378895;C#CC(CNC)C(=C)CC;DPAJPTPLNMTBQD-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378896;MM378896;CC#CC(C=CCC)CC;LIYHOPYDVZFYMZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378897;MM378897;C#CC(CNC)C(=O)CO;DSUFVBXXUNYFNA-UHFFFAOYSA-N;141.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378898;MM378898;CC#CC(C=CCN)CC;FEVHAAPYUXHPIQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378899;MM378899;C#CC(CCN)C(=O)NC;KPXOSQHSYYNWPS-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378900;MM378900;CC#CC(C=CCO)CC;SYPIWPDWCVKUPZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378901;MM378901;C#CC(CCO)C(=O)NC;DGENKMVCFATTPH-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378902;MM378902;CC#CC(C=CCF)CC;ZDPUOMYLHIOMFK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378903;MM378903;C#CC(C)CCC1(O)CC1;GJJYUDQMOOJQKJ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378904;MM378904;CC#CC(C=CCO)CN;OUPFAPDWSQWAGP-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378905;MM378905;C#CC(NCC)C(=C)CC;WYKZFSYHBOUJIB-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378906;MM378906;CC#CC(C=CCF)CN;HDMQRTIMOHTKFG-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378907;MM378907;C#CC(OCC)C(=C)CF;QILKYMUGOUCGHX-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378908;MM378908;CC#CC(C=CCO)CO;FZQRSGBAYZNXLY-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378909;MM378909;C#CC(CC=O)C(=C)CC;GQYSLWHSNHXJBQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378910;MM378910;CC#CC(C=COC)CC;MCHSCYPYXZSXJW-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378911;MM378911;C#CC(CC=C)C(=O)CC;KZEYIEUBXBUAJE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378912;MM378912;CC#CC(C=CCF)NC;YSDFMSQJTCOVNA-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378913;MM378913;C#CC(CC=O)C(=O)CC;CNHKJYYUKMZHMC-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378914;MM378914;CC#CC(C=CCC)OC;GTBAWTNVCPRBCV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378915;MM378915;C#CC(CC=C)C(=O)CF;ROBQSAZJOABYRA-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378916;MM378916;CC#CC(C=COC)OC;WXUYULHZLLOIGS-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378917;MM378917;C#CC(CC#N)C(=O)NO;XXGFFYCIMBMHLS-UHFFFAOYSA-N;138.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378918;MM378918;CC#CC(C=NNC)CC;NEWRPXSYUNCSRQ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378919;MM378919;C#CC(CC#N)C(=O)OC;FIJDSYWKLYOTOM-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378920;MM378920;CC#CC(C=NNC)CN;GDKYAVXLYMHUEY-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378921;MM378921;C#CC(NC=N)C(=C)CN;LYJGZGCIZOFHOI-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378922;MM378922;CC#CC(C=NOC)CC;NDCILAQHYBWZAL-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378923;MM378923;C#CC(NC=O)C(=C)CN;BCXKGAWKQFBFFS-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378924;MM378924;C#CC(NC=O)C(=C)CF;UHDSPLCOSCQXDC-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378925;MM378925;CC#CC(C=NNC)OC;GTTPCVIXNGMLQO-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378926;MM378926;C#CC(NC=O)C(=O)CO;CZQKRRKNICZXLP-UHFFFAOYSA-N;141.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378927;MM378927;CC#CC(C=NOC)OC;LJSPNQZSHUPODD-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378928;MM378928;C#CC(NC=O)C(=N)NC;IQEWCZQYQXBMRJ-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378929;MM378929;C=CC=CC(C#CC)CC;SNGSSXZGKYVABB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378930;MM378930;C#CC(NC=O)C(=O)NN;DKKRERBJJYYGOR-UHFFFAOYSA-N;141.13;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378931;MM378931;CC#CC(C=CC=O)CC;SIAWCCDLJLQZKB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378932;MM378932;C#CC(NC=O)C(=O)NO;HNOGWWZSGAWVJR-UHFFFAOYSA-N;142.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378933;MM378933;CC#CC(C=CC#N)CC;YQTZAONFQQMBDT-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378934;MM378934;C#CC(NN=C)C(=N)NC;ZEBFNYXLJMSGMM-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378935;MM378935;C=CC=CC(C#CC)NC;WXPWKUSWHKYGOS-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378936;MM378936;C=C(C)C#CC(C#N)NC;WCIXOIOJIHVEJF-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378937;MM378937;CC#CC(C=CC#N)OC;KMIDBAJSBMMTCF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378938;MM378938;C#CC(OC=O)C(=C)CN;LKGDLTDMQZNIOO-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378939;MM378939;C=NN=CC(C#CC)CC;UFIVQPKPGOLLGJ-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378940;MM378940;C#CC(OC=O)C(=C)CF;DEXFLNIFOAKLBZ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378941;MM378941;C=NN=CC(C#CC)CN;HRDCPVYAAKVAFQ-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378942;MM378942;C#CC(OC=C)C(=O)CO;AGXDMKCXSJQOAS-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378943;MM378943;C#CC=CC(C#CC)CC;NKODYFSTIADEMA-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378944;MM378944;C#CC(OC=O)C(=O)CO;AKYSDWWSGBNJOQ-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378945;MM378945;C#CC=CC(C#CC)CN;IFRGWQRDHPVBCJ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378946;MM378946;CCC1(C#N)NC1C(C)=O;ZWCFWBJKYBDKHY-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378947;MM378947;C=CC(C#CC)C=CCN;LNJLAQDXGVVSPY-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378948;MM378948;C#CC(OC=O)C(=O)NC;ATGRSYVMVPHVNL-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378949;MM378949;C=CC(C#CC)C=CCO;BXHXMQZNQNGCSC-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378950;MM378950;C#CC(OC=O)C(=O)NN;OTLFOVYDYNNPAC-UHFFFAOYSA-N;142.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378951;MM378951;C=CC(C#CC)C=CCF;VMWYUUGOGZTMLH-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378952;MM378952;C#CC(OC=O)C(=O)OC;PDTTUPZUGBXVQN-UHFFFAOYSA-N;142.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378953;MM378953;CC#CC(C#N)C=CCC;OMXPDDZKOHRAOI-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378954;MM378954;C#CCC(C#C)C(=C)CO;QZZAZKYZKRAVOE-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378955;MM378955;CC#CC(C#N)C=CCO;SUVFAGNOSZPUMH-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378956;MM378956;C#CCC(C#C)C(=O)NC;MGYNYWUQVHSQPH-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378957;MM378957;CC#CC(C#N)C=CCF;LLTOMLKONCBPRY-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378958;MM378958;C#CC(CCC)C(=C)C=O;BFCGMLFHSDRJEQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378959;MM378959;O=CC1=CC2CC2(CO)C1;SPEHWDJVQNMEKF-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378960;MM378960;C#CC(CCC)C(=O)C=C;CMNCRGNAVIZJMN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378961;MM378961;C=C1CCC2(CO)CC2C1;QHZFRYVCSNXROG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378962;MM378962;C#CC(CNC)C(=C)C=C;PRYWNHAICUNVCJ-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378963;MM378963;C=CC(C#CC)C=NOC;QBPBXFMZRJKHPR-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378964;MM378964;C#CC(NCC)C(=C)C=C;JACWOIVPXBGSCE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378965;MM378965;C=CC=CC(C#CC)C=C;BFSBEORBOKSULW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378966;MM378966;C#CC(OCC)C(=O)C=C;DJFJSGSFABBFOJ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378967;MM378967;C=CC(C#CC)C=CC=O;UXGWXXLXWKTQBI-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378968;MM378968;C#CC(CC=O)C(=C)C=C;UOUWZNKJUIQIPY-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378969;MM378969;C=CC(C#CC)C=CC#N;DXLNDWKMEXIYGC-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378970;MM378970;C#CC(CC=C)C(=C)C=O;PIBVSUJIIQNWPM-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378971;MM378971;C=CC=CC(C#N)C#CC;UUQLQLJEWWIGCI-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378972;MM378972;C#CC(CC=O)C(=C)C=O;RGOGUWCBFWLICV-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378973;MM378973;CC#CC(C#N)C=CC=O;OBRBYUMTBUTESJ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378974;MM378974;C#CC(CC=O)C(=C)C#N;JJNYPDZWAIMXRI-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378975;MM378975;C=CC(C#CC)C=NN=C;VPNRBEKBQJVJHV-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378976;MM378976;C#CC(CC=C)C(=O)C=C;STLVHRKGKQAXSW-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378977;MM378977;C=NN=CC(C#N)C#CC;NIOVXKTWDSMZBA-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378978;MM378978;C#CC(CC=O)C(=O)C=C;FXYGZLVTLBGSNM-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378979;MM378979;C#CC=CC(C#CC)C=C;MMKKIIODZAKBLO-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378980;MM378980;C#CC(NC=O)C(=C)C=C;GZMGSTRCCKBQHX-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378981;MM378981;C#CC(C#CC)C=CCC;ZCLJXQKMNIYRLL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378982;MM378982;C#CC(NC=N)C(=C)C=O;DYJKGUKQILCGEI-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378983;MM378983;C#CC(C#CC)C=CCN;SDJFRLXJZUMDNX-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378984;MM378984;C#CC(NC=N)C(=C)C#N;JDKQTXRJVDTBFX-UHFFFAOYSA-N;133.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378985;MM378985;C#CC(C#CC)C=CCO;LLZAMIKFYNHGQC-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378986;MM378986;C#CC(NC=O)C(=C)C=O;DZNFCMGVIQHDFG-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378987;MM378987;C#CC(C#CC)C=CCF;ICFCTKDLTYKFRG-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378988;MM378988;C#CC(NC=N)C(=O)C=C;LMIYEEYAWZSQNU-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378989;MM378989;C#CC(C#CC)C=COC;CXPRUIRUZFMLIO-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378990;MM378990;C#CC(NC=O)C(=O)C=C;CEOQPSKEJDWMGO-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378991;MM378991;C#CC(C#CC)C=NNC;XRMXPZDOGYMVAL-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378992;MM378992;C#CC(NC=O)C(=O)C#N;FRDNJOCIPDVCKU-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378993;MM378993;C#CC(C#CC)C=CC=O;KTYCGONXWMTMRA-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378994;MM378994;C#CC1(CO)CCC(=C)C1;JKXYEBVIDOSECV-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378995;MM378995;C#CC(C#CC)C=CC#N;YKBSIHUIRKWZKW-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378996;MM378996;C#CC(N)C(=O)N(C)C=O;QQDOVEJSXPYSTD-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378997;MM378997;C#CC=CC(C#C)C#CC;FOJNZWNTDAGMFW-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378998;MM378998;C#CC(OC=C)C(=C)C=O;ZHILIERADLJVJU-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM378999;MM378999;CC=C(C=CCF)CCC;CACIUYGEJDOLPW-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379000;MM379000;C#CC(OC=C)C(=O)C=C;USMUDFCLOAHBBQ-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379001;MM379001;CC=C(C=CCN)CCN;SOBPMJQIZQLTAQ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379002;MM379002;C#CC#CCCC(O)CC;QQUDSSIYDVOGDI-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379003;MM379003;CC=C(C=CCN)CCO;ZKSNMJVHEHMVJW-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379004;MM379004;CCN(C)C(C#N)=NNC;ALNZDQNQEVNAOE-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379005;MM379005;CC=C(C=CCO)CCF;ALGGEGKTDMRJCZ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379006;MM379006;C#CCC(C#C)C(=C)C#N;FQURFIJHMYZRRA-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379007;MM379007;NCC=CC(=CF)CCN;CGPKQPCNWRDNFV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379008;MM379008;C#CCC(C#C)C(=O)C=O;PVSLUWOCRIEXJV-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379009;MM379009;NCC=CC(=CF)CCF;FWGURVWFDKEFON-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379010;MM379010;C#CC(=O)C(C#C)CCO;MEMKSIUGOMSLKY-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379011;MM379011;CC=C(C=CCO)CNC;MAWBSTCBGCWQFN-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379012;MM379012;C#CC(=O)C(C#C)CC#N;KCIKPZRRAVEJLC-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379013;MM379013;CCC=CC(=CF)CNC;BLTCQIUDDWUFAK-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379014;MM379014;C#CC(=C)C(C#C)NC=N;KOYVZFMYFZCDBF-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379015;MM379015;COCC(C=CCO)=CF;OMQVAMJPRKMBLN-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379016;MM379016;C#CC(=C)C(C#C)NC=O;YZABTUQJLXGNOG-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379017;MM379017;OCC=CC(CCO)=NO;LRTYPZKUYLKVOX-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379018;MM379018;C#CC(=C)C(C#C)OC=C;RVVBDRPZZSJBEW-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379019;MM379019;OCCC(C=CCF)=NO;WYXMSMNNAFKADG-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379020;MM379020;CC(=NN)C(=NN)C(F)F;QBQUTVXYUIPRNJ-UHFFFAOYSA-N;150.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379021;MM379021;OCC=CC(CCF)=NO;MNMQSCXHOAXTLH-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379022;MM379022;CCC(C=CF)C(C)CN;GPAZVGLTJYZCPX-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379023;MM379023;CN=CC=C(CCO)NN;SWIXQEWGMMVQND-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379024;MM379024;CC=CC(CN)C(C)CC;QFYRKSWENYAPCQ-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379025;MM379025;CN=CC=C(CCN)NO;AOGRYKJRKLLHIX-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379026;MM379026;CC=CC(CN)C(C)CF;CDRYZACDGNEOMW-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379027;MM379027;CN=CC=C(CCO)NO;VIZIRXZTHRTVPX-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379028;MM379028;CC(CF)C(C=CF)CO;IFEOHYMGIULBKD-UHFFFAOYSA-N;150.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379029;MM379029;CCC=CC(CNC)=NO;YGOVQMBKHMBGRD-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379030;MM379030;CC=CC(CF)C(C)CN;YYMULQGNSHMXFA-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379031;MM379031;C#Cc1c[nH]c(NC)c1C;XZNXMJFTVKZQCA-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379032;MM379032;CC(CO)C(C=CF)CF;XZCPQHMZJNZUCI-UHFFFAOYSA-N;150.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379033;MM379033;CCCC(C=NNC)=CF;ZELZMCROVIWLBT-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379034;MM379034;CCC(N)C(C=CF)CC;SXTGMTCOWBIVMB-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379035;MM379035;CNN=CC(=CF)CCN;FYABULZTFZBXRO-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379036;MM379036;CC=CC(CC)C(N)CN;CMIVJJSFWRBRCQ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379037;MM379037;CNN=CC(=CF)CCF;YSSUZSLIMRAYMX-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379038;MM379038;CC=CC(CC)C(N)CO;XRJGYGOBRPCAGZ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379039;MM379039;CC=C(C=NOC)CCN;SZALIPDQYAANQD-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379040;MM379040;CCC(C=CF)C(N)CF;BQUIVPOYWVWFSS-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379041;MM379041;CNCC(C=NNC)=CF;RCVFNUBTHOAUQO-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379042;MM379042;CC=CC(CN)C(N)CC;LNGVVFPTSHDUSZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379043;MM379043;C=CC#CCNN=COC;AGSJKHUGEXLYGG-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379044;MM379044;CC=CC(CN)C(N)CN;ULDAHQLZSVUXNN-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379045;MM379045;CN1C(C=O)C1C=CCF;RVBADUOIZWHMKQ-UHFFFAOYSA-N;143.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379046;MM379046;CC=CC(CF)C(N)CC;NKNRDQUOTHRHNP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379047;MM379047;CNN=CC(CCN)=NO;DTPWDWINUQWZDL-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379048;MM379048;CCC(N)C(C=CF)CF;JXXBVPXXNGOCQV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379049;MM379049;CON=CC(CCO)=NO;SIDZRYFHRBMULE-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379050;MM379050;NCC(N)C(C=CF)CF;AYOPELMPWNAUDG-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379051;MM379051;CCN=C(C=CNC)NN;GGRQEMNMOFGZNG-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379052;MM379052;NC(CO)C(C=CF)CF;VVHVNAXEKSAESK-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379053;MM379053;CCN=C(C=CNC)NO;IPICHNNOKVZHBS-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379054;MM379054;NC(CF)C(C=CF)CF;HVFPDPLKNIDSAN-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379055;MM379055;CCN=C(C=COC)NN;BYGUOJOLNIJYJP-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379056;MM379056;CC=CC(CC)C(O)CN;YQFIYDNNZXVECA-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379057;MM379057;CNN=C(C=CCN)NO;XDZRHQQFHBJYPL-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379058;MM379058;NCC(O)C(C=CF)CN;KZXWEWOQDDSTHL-UHFFFAOYSA-N;148.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379059;MM379059;CCC=CC(=NOC)NN;KPMCTDUXAQJYFH-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379060;MM379060;CC=CC(CN)C(O)CO;OHUZZNOKJHUEND-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379061;MM379061;CC#CC#CC(=O)C1CN1;RGFHPOMAISWWCW-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379062;MM379062;NCC(O)C(C=CF)CF;ALWHZQRUEGBWGW-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379063;MM379063;CON=C(C=CCN)NO;ANAGZNLSUDZVFI-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379064;MM379064;CC=CC(CC)C(F)CN;DTCQCWXMMYLQDQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379065;MM379065;O=CC1=NNC(CF)CC1;LOFKHBQMXAHKKA-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379066;MM379066;CCC(C=CF)C(F)CN;IEVQIBJEFBKPJW-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379067;MM379067;CNC=CC(=NOC)NN;OKBDZINYSZYMBI-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379068;MM379068;CC=CC(CN)C(F)CC;QRYRBUNOOLQDPC-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379069;MM379069;CCC1C=CN(C=O)N=C1;MGJNZCDZFXIXPF-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379070;MM379070;NCC(F)C(C=CF)CN;LATKETLDWMPXDV-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379071;MM379071;CNC(C#N)C#CC1CN1;AQRQOUHPKIOIOY-UHFFFAOYSA-N;135.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379072;MM379072;NCC(C=CF)C(F)CO;JXDWBCZPJRRMPM-UHFFFAOYSA-N;151.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379073;MM379073;CC1C(O)C1(C)C;URESKCCBDZWNHJ-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379074;MM379074;CC=CC(CF)C(F)CN;DGHPVHFKNHLSBB-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379075;MM379075;C=C1CCC(O)C1;OWGZYFFTZFIBSQ-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379076;MM379076;NCC(F)C(C=CF)CF;SPIFXHRTMPVLGV-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379077;MM379077;CCOC(C=CCO)=NO;BVNJPNQMMNZENE-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379078;MM379078;OCC(F)C(C=CF)CF;KAHMEWBGAAYZKU-UHFFFAOYSA-N;154.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379079;MM379079;CCOC(C=CCF)=NO;ZJWQPMJFIPBWDH-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379080;MM379080;CCC(C=NO)C(C)CN;KRHXZXDFCXPOCT-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379081;MM379081;CC(=O)C1NC1(C)C;AKGPBZFILVIQSL-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379082;MM379082;CC(CF)C(C=NO)CO;MYYSQCHAHDIGOP-UHFFFAOYSA-N;149.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379083;MM379083;C=C1C=CC(C)C1O;RCFXWNUSKGHNEO-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379084;MM379084;CC(CN)C(C=NO)CF;REWWUIWYZVCLQC-UHFFFAOYSA-N;148.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379085;MM379085;O=CC1NC1C1CO1;YYLPECVUOJIAHG-UHFFFAOYSA-N;113.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379086;MM379086;CC(CF)C(C=NN)CF;VXRVYFCFFJSAJR-UHFFFAOYSA-N;150.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379087;MM379087;CCOC(C=COC)=NO;OXRFXCYGMBQZQR-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379088;MM379088;CC(CF)C(C=NO)CF;JDHXYXZHWQMGRQ-UHFFFAOYSA-N;151.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379089;MM379089;CCOC(C=NNC)=CF;BTELQXANLFLXNF-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379090;MM379090;CCC(N)C(C=NO)CC;CRWVYPPBMGPEBB-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379091;MM379091;CCOC(C=NOC)=CN;LPWDCTWMYVNKDE-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379092;MM379092;CCC(N)C(C=NO)CF;FMBIVHJGPDKSJZ-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379093;MM379093;C#CC(=C)C(C)(O)CC;GWQBHEMRUBPMQO-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379094;MM379094;C=CC1(O)CC1C1CC1C;VCHDMLCMMRCPPS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379095;MM379095;CC=C(C=CC=O)CCC;UMMMSWWGUTVFEI-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379096;MM379096;CCC(F)C(C=NN)CC;GPBYEZVZAHPCRK-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379097;MM379097;CC=C(C=CC#N)CCC;SUAZUVAMHAINHZ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379098;MM379098;CCC(F)C(C=NN)CF;NMLKXNRNQMJSIW-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379099;MM379099;CC=C(C=CC=O)CCF;CVCZUXSKRMQRNC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379100;MM379100;CCC(F)C(C=NO)CF;BCUMUCPRDUFJRE-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379101;MM379101;C=CC=CC(=CF)CCN;QFBDXZKDWOEPGZ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379102;MM379102;CC=CC(CC)C(C)NC;TVPPNAMYTXXXRY-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379103;MM379103;O=CC=CC(=CF)CCF;DYDXSNCVNZZHJM-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379104;MM379104;CCC(C=CF)C(C)NC;KOMJEZNCZDWWRH-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379105;MM379105;C=CC=CC(=CC)CNC;DSSSUJZLVCXARJ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379106;MM379106;CC=CC(CF)C(C)NC;JGIJFWGVYSMKBQ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379107;MM379107;CC=C(C=CC=O)CNC;HFXNXEJKTGRXIW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379108;MM379108;CCC(C=NO)C(C)NC;ZPNHERFNCKFQCF-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379109;MM379109;CC=C(C=CC#N)CNC;RQUJILVLHPDTON-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379110;MM379110;CNC(C)C(C=NN)CF;YDDLFBOJHWGYDC-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379111;MM379111;C=CC=CC(=CF)CNC;XISKDNPSSRLOPN-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379112;MM379112;CC=CC(CN)C(C)OC;YTKQKLNAHWNYMI-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379113;MM379113;C=CC=CC(CCF)=NN;JZEKFAITLRVFNH-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379114;MM379114;COC(C)C(C=NO)CN;MPFCUXBFDXJBLV-UHFFFAOYSA-N;146.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379115;MM379115;CCCC(C=CC=O)=NO;ULLWUYSMNQDIAK-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379116;MM379116;CCC(C)C(C=CF)NC;HZGGEECVBSANAO-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379117;MM379117;CCCC(C=CC#N)=NO;KDFHOPFJFDFAEH-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379118;MM379118;CC=CC(NC)C(C)CN;DDUWTSGEWZQGSD-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379119;MM379119;C=NN=CC(=CC)CCF;UYXUASALHNQBSL-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379120;MM379120;CC=CC(NC)C(C)CF;RGIUMLBJNMDUAJ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379121;MM379121;C=NN=CC(=CN)CCN;KALCLOSXCGYKIT-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379122;MM379122;CC=CC(NC)C(N)CN;DRBBHPWCKMGABO-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379123;MM379123;C=CCCC(C)(C)CO;WIYYDFSDWKBPIX-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379124;MM379124;CNC(C=CF)C(N)CF;PQEGAKYRIAUSJN-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379125;MM379125;C=NN=CC(=CN)CCF;QSHCEZMZSGQSCY-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379126;MM379126;CNC(C=CF)C(F)CN;PTCLNDSNEGYSQD-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379127;MM379127;C=NN=CC(=CF)CCF;YBNLDDJCKQBJIA-UHFFFAOYSA-N;146.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379128;MM379128;CCC(N)C(C=CF)OC;DLCGBHLGCWHRHO-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379129;MM379129;C=NN=CC(=CN)COC;AXMYSBMUKBNWGK-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379130;MM379130;CC12CC1CC1(CO)CC12;MODJCQKASZAIEI-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379131;MM379131;C#CC1(C)CC(=O)N1N;WRVXIFUANSGMOA-UHFFFAOYSA-N;124.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379132;MM379132;CC=CC(CO)N(C)CC;UQDCTAYSTQUOOK-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379133;MM379133;CCC(C)N(C=NC)NC;DADJXYJLZPWNEY-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379134;MM379134;CCNN=C(C)C(C)=O;OUCCTBHIRYASSD-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379135;MM379135;CC=NN(CC)C(C)CN;VWSZRUZMTMNGJB-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379136;MM379136;CNC(C=CC#N)=NOC;WTOURLGTQFOYDY-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379137;MM379137;CCN(C)N(C=NC)CC;PHVPPWDAOCAVCO-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379138;MM379138;C=NN=CC(=NOC)NC;AAFRORKURGTNGY-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379139;MM379139;C=CC(C)C(C=CC)CN;AKSZYBGHJUQXCD-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379140;MM379140;C=NN=CC(=CN)OCC;JNMVFOHCULAIPU-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379141;MM379141;C=CC(C)C(C=CF)CN;CKDFMFCTTFPXKH-UHFFFAOYSA-N;143.21;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379142;MM379142;C#CC=CC(=CF)CCN;QMRVUSGWGBQUCX-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379143;MM379143;C=CC(C)C(C=CF)CF;VEBYHUKVXDWQHD-UHFFFAOYSA-N;146.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379144;MM379144;C#CC=CC(=CF)CNC;OLTMCEXZMSSIBC-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379145;MM379145;CC=CC(CF)C(C)C=O;UMDKZWJIAMARDW-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379146;MM379146;C=C1CC(O)C(=C)C1C;QBJBELLTGTYJIN-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379147;MM379147;C=CC(N)C(C=CF)CC;WGUWBLHTFHHNHU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379148;MM379148;C#CC=CC(CCN)=NO;YOPBJYLFNBJKOV-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379149;MM379149;C=CC(N)C(C=CC)CN;MFRFKMXMVDOHKH-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379150;MM379150;C#CC=CC(CCO)=NO;CWXLUOKCFISIEJ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379151;MM379151;C=CC(N)C(C=CC)CF;NWWNBACAJIIJCG-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379152;MM379152;C#CC=CC(COC)=NN;PNTWVPDJGLVVRU-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379153;MM379153;CC=CC(CO)C(O)C=O;HJZQBSQOGKCIHK-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379154;MM379154;C#CC=CC(=NCC)NN;IAOMZPGEMBQZIK-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379155;MM379155;C=CC(C)C(C=NO)CO;FHRPDFPMIJXGIT-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379156;MM379156;C#CC=CC(=NNC)NC;COWBORFCDLGSDQ-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379157;MM379157;C=CC(C)C(C=NN)CF;UHMZKQOFNGSOHW-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379158;MM379158;CC1=C(F)C(=N)C(=N)N1;CXTZYYLLSPHYKK-UHFFFAOYSA-N;127.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379159;MM379159;C=CC(N)C(C=NO)CO;AFHQXMDNZKHVID-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379160;MM379160;CN1CC(=NN)OC1=O;WRGOLVUGXWCOMT-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379161;MM379161;C=CC(O)C(C=NO)CO;GFZRXACCDKTHQI-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379162;MM379162;C#CC=CC(=NO)OCC;XTGRKRCFLPAGHK-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379163;MM379163;O=CC(O)C(C=NO)CO;LAOHWHCEDCKDRG-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379164;MM379164;C=CCC(C=CCC)=CC;HGUPAXQBHJQWFQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379165;MM379165;C=CC(C)C(C=CC)NC;VPTXTDKCCVBWEF-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379166;MM379166;CC=C(C=CCO)CC=O;KERDQBTWZAXUNO-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379167;MM379167;C=CC(C)C(C=CF)NC;IQXUXTREQADFOH-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379168;MM379168;CC=C(C=CCO)CC#N;QGHUETDLVZQILQ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379169;MM379169;CC=CC(NC)C(C)C=O;MBWJBZUTLPFOLW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379170;MM379170;CC=C(C=CCF)CC#N;AEVNSUWGCSOYDF-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379171;MM379171;CC=CC(NC)C(O)C=O;DDAGTOONLUDGIG-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379172;MM379172;C=CCC(C=CCN)=CF;ZDLQPMJPYWZVOK-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379173;MM379173;CC=CC(NC)C(F)C#N;UJCRSLVUPCSSNL-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379174;MM379174;CCC=CC(=CF)CC=O;CRQSKDPYRVVMLQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379175;MM379175;C=CC(O)C(C=CF)OC;SNCDPZZIQOLRRR-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379176;MM379176;O=CCC(C=CCF)=CF;GTJGPSYRWZWHMI-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379177;MM379177;CC=CC(OC)C(O)C#N;QNFBMLJXQDMPRV-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379178;MM379178;CC=C(C=COC)CC#N;HAASXSIGNGNFAF-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379179;MM379179;CC=CC(CF)N(C)C=O;WVNUKRJZNMAXCC-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379180;MM379180;C=C(C)c1c[nH]c(N)c1;DIXSOHOPCGZBDH-UHFFFAOYSA-N;122.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379181;MM379181;CCC(C=NN)N(C)C=N;QFTAXFACFDOPRK-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379182;MM379182;O=CCC(C=CCO)=NO;LGLAUDYTTFMPIE-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379183;MM379183;CCC(C=NN)N(C)C=O;FJAWSEJAPUXDTA-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379184;MM379184;C=CCC(C=NNC)=CC;LLRHMRZHIWNDBS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379185;MM379185;C=NN(C)C(C=CF)CN;YPGYEYRLQJJTMM-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379186;MM379186;C=CCC(C=NNC)=CF;QWTZEMHKLXOGBN-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379187;MM379187;C#CC1=CCC(CO)C1C;JAUIIAXUNZTCMD-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379188;MM379188;CC=C(C=NOC)CC#N;OQNRYWJKAGSORS-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379189;MM379189;C=CC1=C(C)C(CO)CC1;AZCQMSYRBWHHPK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379190;MM379190;CC=C(C=CCN)NC=N;XKXSMHYPVZDQCP-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379191;MM379191;CCN(C=NC)C(C)C#N;BEIOAVRQLXQWSH-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379192;MM379192;COC=CC(=CF)NC=O;CHSIYOOQIDCKRA-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379193;MM379193;C=CC(CO)C1CC1C=C;KHVACFGNNIPYPN-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379194;MM379194;C=CN=C(C=CCC)NC;MRJNJXUECNTAMV-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379195;MM379195;CN=CN(OC)C(C)C#N;VEPKLPHPTVYDQA-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379196;MM379196;CN=C(C=CCN)NC=N;OOZMXFAFULTRFI-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379197;MM379197;C#CC(C)C(C=CF)CN;KYEHXKBNEZQYEO-UHFFFAOYSA-N;141.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379198;MM379198;CC1CC1CC1(O)CC1;CPTSIKDBCOQRAW-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379199;MM379199;C#CC(C)C(C=CC)CF;GWIQYHPFXHVHDO-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379200;MM379200;O=CNC(C=CCF)=NO;PSOXTVNQIHOFJO-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379201;MM379201;C#CC(N)C(C=CF)CC;CEEISXVWGVPNRF-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379202;MM379202;C=CN=C(C=COC)NC;QVZJMYNEJUDFNS-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379203;MM379203;C#CC(N)C(C=CC)CF;FDKNTTRJRNRQNU-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379204;MM379204;COC=CC(=NN)NC=O;NSXWCVWAAIALCK-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379205;MM379205;C#CC(N)C(C=CF)CF;JMOGYZVBEYTWKJ-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379206;MM379206;C#CC1CC(CC)C1O;ZJRUZLMYMBMAPI-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379207;MM379207;C#CC(O)C(C=CF)CC;YVSKOFDLDZCSQC-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379208;MM379208;COc1c[nH]c(N)c1C;TYBPJSNFOLIEDA-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379209;MM379209;C#CC(O)C(C=CF)CN;OAQBXPYHCFTRCJ-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379210;MM379210;C=CC1C(O)C1C(=C)C;WSJBNSCPFNCBCA-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379211;MM379211;C#CC(O)C(C=CC)CF;NFGJHQYNFNAXJB-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379212;MM379212;C=CC1CC1(C=C)CO;TXPWTTKFIONXIZ-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379213;MM379213;C#CC(F)C(C=CC)CN;ACOOASUHDZHBGL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379214;MM379214;N#CC=CC(=O)C1CN1;LLBBDGOUYADYLI-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379215;MM379215;C#CC(F)C(C=CF)CN;UEFSBXWVJYFWHC-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379216;MM379216;CON=CC(=CN)NC=N;RAOLIEKERLLQDG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379217;MM379217;C#CC(C)C(C=NN)CF;KXZFQWYNWQGUOJ-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379218;MM379218;C#CCN1C(C)C1C=O;UAVWAFXTFZMBQQ-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379219;MM379219;C#CC(C)C(C=NO)CF;QOVULZVHILJWPC-UHFFFAOYSA-N;143.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379220;MM379220;CON=CC(=NO)NC=O;NBXGFWBXKUIJIR-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379221;MM379221;C=CC(CO)C1CC1C=O;MBHUSWMXVQQFQW-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379222;MM379222;C=C(C)CCC(C)(C)CO;PJYNOSPRYPKFRV-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379223;MM379223;C#CC(O)C(C=NO)CC;YJFLVZYEKHMMRG-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379224;MM379224;CC(=O)CCC(C)(C)CO;PJJONJWDMMFZPI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379225;MM379225;C#CC(O)C(C=CC)NC;IVSQBBSNFVMMGU-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379226;MM379226;O=COC(C=CCO)=NO;BSXRPQYHEBZZGK-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379227;MM379227;C#CC(F)C(C=NN)NC;MUTXRQDYXRTDAT-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379228;MM379228;CC1(C)C=CC(C)(CO)C1;USDIPJSMDIQKCA-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379229;MM379229;C#CC(C)N(C=NC)OC;FKMJGTKLYRWSCT-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379230;MM379230;C=COC(C=COC)=NO;UNAMMXNXERNYPY-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379231;MM379231;C=CC(C=CC)C(C)CN;JMOKTABQGDUAMA-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379232;MM379232;C=NOC(C=CCF)=NO;GFGAEVZQHHCUOB-UHFFFAOYSA-N;146.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379233;MM379233;C=CC(C=CF)C(C)CN;AGZIWZHQOKLKBH-UHFFFAOYSA-N;143.21;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379234;MM379234;C=COC(C=NNC)=CF;KLDDUGZRIRLLBN-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379235;MM379235;C#CCNN=c1ocno1;RTLLDBVUEGZFOC-UHFFFAOYSA-N;139.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379236;MM379236;CC#CC=C(C)C(C)(C)O;VDNBHNXSULOAJZ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379237;MM379237;C=CC(C=CF)C(C)CF;BPMRGIOLULSXRK-UHFFFAOYSA-N;146.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379238;MM379238;C=COC(C=NNC)=NO;MNDWTLUBDMHXNO-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379239;MM379239;CC=CC(C=O)C(C)CC;LMJCGHCKYCUQPW-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379240;MM379240;CC(=O)C=NOCC(C)F;FHKQHXRHBRSBHW-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379241;MM379241;CCC(C)C(C=O)C=CF;AOHDUOLCCMKNML-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379242;MM379242;C=CC=CC(=CC)CC=C;OBNNYQIQJAFXLW-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379243;MM379243;CC=CC(C=O)C(C)CO;OLJWQOUECXESLK-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379244;MM379244;C=CCC(C=CC=O)=CC;WTASXWSKVGMMMV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379245;MM379245;C=CC(C=CC)C(N)CC;HBXWQDXQCAXBCW-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379246;MM379246;C=CCC(C=CC#N)=CC;AWFBJDLULGWNCE-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379247;MM379247;C=CC(C=CF)C(N)CC;OLMSYFUJFUJBIO-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379248;MM379248;C=CC=CC(=CC)CC=O;IHUHYWZAJGFMTN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379249;MM379249;C=CC(C=CC)C(N)CO;JFMQQTCKCFMVIU-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379250;MM379250;CC=C(C=CC#N)CC#N;QZRSTZAVWRPNLH-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379251;MM379251;C=CC(C=CC)C(N)CF;MEGWXWHXVOJHHB-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379252;MM379252;C=CC=CC(=CF)CC=C;IDOZZIXEXSNDNJ-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379253;MM379253;C=CC(C=CF)C(O)CC;QYGLMHRRTWALHY-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379254;MM379254;C=CCC(C=CC=O)=CF;AFKFETDJDUKDOW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379255;MM379255;C=CC(C=CC)C(O)CN;QITSAVHBHLTCMC-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379256;MM379256;C=CCC(C=CC=O)=NO;GMFXJSABWKOOCW-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379257;MM379257;CC=CC(C=O)C(O)CC;MFGQHFJSWFEVRS-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379258;MM379258;C=CC=CC(CC#N)=NO;WPGKWDOTDJYXHP-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379259;MM379259;CCC(O)C(C=O)C=CF;UKTGBCXNTPZBKI-UHFFFAOYSA-N;146.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379260;MM379260;C=CCC(C=NN=C)=CC;RHBIEDBOHNVHPB-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379261;MM379261;CC=CC(C=O)C(O)CO;BWKIDKLZNMLOIF-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379262;MM379262;C=NN=CC(=CC)CC#N;DEQWEHLBHFKOIK-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379263;MM379263;CC=CC(C=O)C(O)CF;ZFGTUYKMYVVLKG-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379264;MM379264;C=CCC(C=NN=C)=CN;JFUDZRXWHGADSZ-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379265;MM379265;C=CC(C=CF)C(F)CN;ZHYUNWODZDKLGR-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379266;MM379266;CC=CCCC(C)(C)CO;DUTQEQGGQAJULW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379267;MM379267;C=CC(C=CF)C(F)CO;NAZPRUZNTAEMAM-UHFFFAOYSA-N;148.15;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379268;MM379268;C=CCC(C=NN=C)=NO;GKTWGYVEBFOTLA-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379269;MM379269;CCC(F)C(C=O)C=CF;ACVPRMPFICIEJJ-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379270;MM379270;CN=C(C=CC=O)N=CN;IXDHPMMKUZACIX-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379271;MM379271;CC=CC(C=O)C(F)CO;WICYXAYSEFMMQT-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379272;MM379272;CN=C(C=CC#N)NC=O;BHSPTAADZVJWOL-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379273;MM379273;C=CC(C=NN)C(C)CC;RPLKNJIZZKVKTO-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379274;MM379274;C=CC=CC(=NN)NC=N;SDAXOODEKGPZPW-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379275;MM379275;C#CC(C=C)C1C(C)C1O;QOFVTXIVVRMDTL-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379276;MM379276;N#CC=CC(=NO)NC=O;PWAWFMGBDWMULA-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379277;MM379277;C=CC(C=CC)C(C)NC;DXJGBPAMCJAFLQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379278;MM379278;C=COC(C=NN=C)=CN;CNANHOQOWCPZQU-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379279;MM379279;C=CC(C=CF)C(C)NC;PGECIRNSGHIYQW-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379280;MM379280;C=NN=CC(=CN)OC=O;GOJJXRZMEOHKMF-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379281;MM379281;CC=CC(C=O)C(C)OC;ICOFSERWNUIOLC-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379282;MM379282;COCC(=O)CN(C)C=O;RLZKXINTULPUCR-UHFFFAOYSA-N;145.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379283;MM379283;C=CC(C=NN)C(C)OC;YTSVPQUJJRMNKM-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379284;MM379284;COC(C)C(C=O)C=NO;JHXSPIZDZAUQJE-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379285;MM379285;CNN=C(NN)OC(C)=O;PDODGRBTMNSPRK-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379286;MM379286;CC(CO)N(C=N)C=CF;NZVZIZOWQGQBQH-UHFFFAOYSA-N;146.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379287;MM379287;CC1=CC(C)(CO)CC1C;IEFARVGVWSWMLM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379288;MM379288;CC(CN)N(C=O)C=CF;SCYYSAYFUVNEFW-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379289;MM379289;C#CC=CC(=CC)CC#N;SLUCMCPGBGYRJM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379290;MM379290;CC=CN(C=O)C(C)CO;NIVRPMPWYCVANO-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379291;MM379291;C#CC=CC(CC=C)=NN;AVWZAXBJBOFIME-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379292;MM379292;CC=CN(C=O)C(C)CF;AWWDTYQRZBVAMA-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379293;MM379293;C#CC=CC(CC=O)=NO;MVWQNKHMZIXCJV-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379294;MM379294;C=CN(C=NC)C(C)CN;GNFKNAXYXPDRLD-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379295;MM379295;C#CC=CC(=NN)NC=N;VMKDFIUMWCFGNZ-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379296;MM379296;C=CN(C=NC)C(C)CO;VBLVHBYWHXTGML-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379297;MM379297;C#CC=CC(=NO)OC=O;OJXDDPSMIAVPFS-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379298;MM379298;CN=CN(C=O)C(C)CN;SVOOPAOQKDXNPV-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379299;MM379299;C#CCC(C=CCC)=CC;XKFPZNMSWLDXCZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379300;MM379300;C#CCC(O)CC=C;DEPSATBYUMVVIO-UHFFFAOYSA-N;110.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379301;MM379301;C#CCC(C=CCN)=CC;JKALFNSJDAKYDU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379302;MM379302;C#CCCC1(O)CC1;SYDFUZDWWGAXEB-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379303;MM379303;C#CCC(C=CCO)=CC;XEDFKDYUSKZKPH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379304;MM379304;CNc1cc(C)on1;RIFXNGHPOLZJLA-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379305;MM379305;C#CCC(C=CCF)=CC;XUSPIOVDRYAXBS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379306;MM379306;C=NN(C=NO)C(C)CF;KAESDFAYSRMATP-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379307;MM379307;C#CCC(C=CCN)=CF;MYALYFDKHBCBSZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379308;MM379308;C#CCN1CC1C=O;HHLXIZDHJHNMJQ-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379309;MM379309;C#CCC(C=CCO)=CF;NWFOXARKCKCXCO-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379310;MM379310;C=CC(C=CF)C(C)C=O;GQTJHUCKHWMHEA-UHFFFAOYSA-N;142.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379311;MM379311;C#CCC(C=COC)=CF;CTYPIQJHCCCMOS-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379312;MM379312;C=CC(C)C(C=O)C=CC;BWVIWMGZWDQNKU-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379313;MM379313;C#CCC(C=CCC)=NO;YOCGGXMHDFMCGU-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379314;MM379314;C=CC(C)C(C=O)C=CF;UITVBIKSFKVWJP-UHFFFAOYSA-N;142.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379315;MM379315;C#CCC(C=CCN)=NO;ZGNBLHSELMIPQP-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379316;MM379316;CC=CC(C=O)C(C)C=O;AILZQWWZRVRRSL-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379317;MM379317;C#CCC(=CC=NC)NN;JCHAFMMKLVHZTJ-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379318;MM379318;CC(C=O)C(C=O)C=CF;QEPXGKCUUCLWSV-UHFFFAOYSA-N;144.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379319;MM379319;C#CCC(C=COC)=NN;CQNWEGUGQSZXIT-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379320;MM379320;CC(C#N)C(C#N)C=CF;HLJVEPCETDHNSQ-UHFFFAOYSA-N;138.15;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379321;MM379321;C#CCC(C=COC)=NO;CEUPLGQFIHPSNZ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379322;MM379322;C=CC(N)C(C=C)C=CC;IEQYJFRRMWSWEH-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379323;MM379323;C#CCC(C=NNC)=CC;MDKRLSWWTZVVAU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379324;MM379324;CC(C)=CC(C)(C)CO;BIIWBYUXAOCDCC-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379325;MM379325;CCC1(C)C=C(C)C(O)C1;KRYKXYLAHYHCRI-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379326;MM379326;C=CC(O)C(C=C)C=CF;QIQAJGQJTGFZAR-UHFFFAOYSA-N;142.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379327;MM379327;C#CCC(C=NOC)=CC;HTKUEOCIQWPJJY-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379328;MM379328;C=CC(O)C(C#N)C=CC;ZVXRMPYTCWDOLN-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379329;MM379329;C=C1CC2(CO)CC1(C)C2;GAOMXPHBIBHKFH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379330;MM379330;N#CC(O)C(C=O)C=CF;GHLABVATIINZMW-UHFFFAOYSA-N;143.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379331;MM379331;C#CCC(C=NNC)=NO;VKJZKEBXHSYEKG-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379332;MM379332;C=CC(C=CF)C(F)C=O;AWQSXIRYVRRKKJ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379333;MM379333;C#CCC(C=CC=C)=CC;BGIVBXVWODPOTH-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379334;MM379334;CC=CC(C=O)C(F)C#N;FKJSMEJYXUTRJD-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379335;MM379335;C=CC(C)C(C=C)C=NN;QCQDNBNTHYFFFS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379336;MM379336;C#CCC(C=CC=O)=CC;MQXQVXCRXSQIFM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379337;MM379337;C=CC(C=NO)C(C)C=O;SPITXLBYUOHWQM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379338;MM379338;C#CCC(C=CC#N)=CC;ZBZDXDNYAMBREM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379339;MM379339;C=CC(C)C(C=O)C=NO;LOPFYLHQQZKQCA-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379340;MM379340;C#CCC(C=CC=C)=NN;MECPSIFEUJCWAT-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379341;MM379341;O=C(O)C(O)C(O)CO;JPIJQSOTBSSVTP-UHFFFAOYSA-N;136.1;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379342;MM379342;C#CCC(C=CC=O)=NO;YFPMUEYLYYNJAD-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379343;MM379343;C=CN(C=NC)C(C)C=O;BFZAPFKROKLASV-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379344;MM379344;C#CCC(C=NN=C)=CC;JOEHQKFOXIZOMB-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379345;MM379345;C=CC(C)N(C=O)C=NC;SSHRXJOUDYKBJP-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379346;MM379346;C#CCC(C=NN=C)=CN;RQJTVLFSFFLGQN-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379347;MM379347;CC(C#N)N(C=O)C=NO;OLBFVTGMOKKYFV-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379348;MM379348;C=NN=C(C)C(F)C#CC;SBYYBHQJFCLNHZ-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379349;MM379349;C#CC(=C)CC1(O)CC1;XEESSJPTOYENIE-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379350;MM379350;C=C(C)C(O)CC=CC=O;QIQKNEYRLGXYEH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379351;MM379351;CCC(O)CCCC#N;KQMUJZXDZSJLOP-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379352;MM379352;C#CC=CC(CC#C)=NO;MILTYVVMKVNHHM-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379353;MM379353;CN(C=N)N(C=N)C=CF;YZDPLDIVFOBIAG-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379354;MM379354;CC=CC(C=CCC)=CC;KGXJFIKEWSOVRX-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379355;MM379355;CC=CN(C=N)N(C)C=O;FCBXVTQIWQMAGN-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379356;MM379356;CC=CC(C=CCN)=CC;VULUROOLAPRBJU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379357;MM379357;CC=CN(C=O)N(C)C=N;MMRSPYHQWVLPKI-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379358;MM379358;CC=CC(C=CCO)=CC;SVSQCTDBGUHXGA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379359;MM379359;CN(C=N)N(C=O)C=CF;HUTOWDLEDJJFFP-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379360;MM379360;CC=C(C=CF)C=CCN;NRGOTGLSRJIJAA-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379361;MM379361;CC=CN(C=O)N(C)C=O;DRXAPAIHONXOGF-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379362;MM379362;CC=CC(C=CCO)=CF;OYMBYXXYBFGPRE-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379363;MM379363;CN(C=O)N(C=O)C=CF;HMXJEDHXYUWNRW-UHFFFAOYSA-N;146.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379364;MM379364;CC=CC(C=CCF)=CF;FKJSIXBFYVITID-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379365;MM379365;CN(C=N)N(C=N)C=NN;GCQISXZXEYCHHM-UHFFFAOYSA-N;142.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379366;MM379366;NCC=CC(C=CF)=CF;DZIISXWYTWJPNZ-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379367;MM379367;NN=C1CN(N)C(=O)O1;QLJLSYABGCWBNY-UHFFFAOYSA-N;130.11;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379368;MM379368;CC=CC(C=COC)=CC;JMLWTDDQFLIXOO-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379369;MM379369;CN(C=N)N(C=O)C=NN;WDVITYCDACRDPG-UHFFFAOYSA-N;143.15;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379370;MM379370;C=CNC(=NNC)C(=C)F;QHTFBZUPMGYPCK-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379371;MM379371;CCC1=NC(=N)C(=N)N1;IQPROSIGRFXWAW-UHFFFAOYSA-N;124.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379372;MM379372;CN=CC=C(C=CF)NN;RCAJBCFRVYXSBI-UHFFFAOYSA-N;143.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379373;MM379373;CN(C=O)N(C=O)C=NO;JXXMXMYQWBNIGY-UHFFFAOYSA-N;145.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379374;MM379374;CN=CC=C(C=CN)NO;HNECGSXOCYZAPI-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379375;MM379375;C#CC(C)C(C=C)C=CC;WKDCUERHHYNNIS-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379376;MM379376;CC=CC(C=COC)=NN;HUKVVHMEDVUPPR-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379377;MM379377;C#CC(C)C(C=C)C=CF;APJGNPGEMPCDSH-UHFFFAOYSA-N;138.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379378;MM379378;CC=CC(C=NNC)=CC;PFXMZSLZFZIILT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379379;MM379379;C#CC(C)C(C=O)C=CC;SFJQSSHCXMKNOY-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379380;MM379380;CC=CC(C=NNC)=CF;KPOLHAUNUFHRCL-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379381;MM379381;C#CC(C)C(C=O)C=CF;QGSFQWRBLNYXNR-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379382;MM379382;CNN=CC(C=CF)=NO;UHDJHJQIAJRDGQ-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379383;MM379383;C#CC(N)C(C=C)C=CC;HJJLVDAKXGDGKZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379384;MM379384;CC#CC(C(C)C)C(C)O;OYCYNMFQZHBCCZ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379385;MM379385;C#CC(O)C(C=C)C=CC;JANVMPOBFIXYDH-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379386;MM379386;C=CC=CC(C=CC)=CC;RLTWOBTZPRYWBK-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379387;MM379387;C#CC(O)C(C=O)C=CC;VLDRILDICMDPQD-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379388;MM379388;CC=CC(C=CC=O)=CC;ROBAEYXAXOEDJF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379389;MM379389;C#CC(F)C(C=O)C=CC;XGYMMEKYVAPXRT-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379390;MM379390;CC=CC(C=CC#N)=CC;HXUUXUGSIIWBLE-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379391;MM379391;C#CC=C1CCC(O)C1;SUGGCNGKKZMVPZ-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379392;MM379392;CC=C(C=CF)C=CC=O;ILYMABSKRFVWLV-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379393;MM379393;C#CC(C)N(C=O)C=NO;AMSYGVKTMRKKLH-UHFFFAOYSA-N;140.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379394;MM379394;C=CC=CC(C=CC)=CF;SKYYBOFTISKGHY-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379395;MM379395;C#CC(C)N(C=O)N=CC;BAHHIAHVLULDGT-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379396;MM379396;CC=CC(C=CC=O)=CF;BRXFJAPBXQWWTJ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379397;MM379397;C#CC(C=CC)C(C)CN;LPVISXSGHJRJQC-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379398;MM379398;C=CC12CCC(CO)(C1)C2;MWKOQROUOTYINX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379399;MM379399;C#CC(C=CF)C(C)CN;KSQFKDLOPBZXQN-UHFFFAOYSA-N;141.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379400;MM379400;O=CC12CCC(CO)(C1)C2;IUWXYSXKQUTCNG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379401;MM379401;C#CC(C=CF)C(C)CF;ZHHRDOCTDODWTF-UHFFFAOYSA-N;144.16;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379402;MM379402;CC=CC(C=CC=O)=NO;PCUGRJVKFFQBGU-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379403;MM379403;C#CC(C=CF)C(N)CC;SPNBCLQWNZVVNK-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379404;MM379404;CC=CC(C=CC#N)=NO;YCKQLLFHNVBCRF-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379405;MM379405;C#CC(C=CF)C(N)CN;VOAKFICQCOEYEH-UHFFFAOYSA-N;142.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379406;MM379406;C#CC(C)=C(C)C(O)CC;WHSACHIRZNNYDJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379407;MM379407;C#CC(C=CF)C(N)CO;VTMGZINFHHXEDE-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379408;MM379408;C=NN=CC(C=CF)=CC;LPEQPWKSOVLMEF-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379409;MM379409;C#CC(C=CC)C(N)CF;YCFMYHQCHLITCS-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379410;MM379410;C=NN=CC(C=CC)=CN;NJZNVYBNMMWWEW-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379411;MM379411;C#CC(C=CF)C(N)CF;LOTMNCLDRWMDLR-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379412;MM379412;C=CCC1=CCC(O)C1;ASIHSRKAJVQKHH-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379413;MM379413;C=NN=CC(C=CC)=CF;JFGCDAOWHYBDFQ-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379414;MM379414;C#CC(C=CF)C(O)CC;GMXVLJGRORWEDO-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379415;MM379415;C=NN=CC(C=NO)=CC;OLSWQKXQUJXOEL-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379416;MM379416;C#CC(C=CF)C(O)CN;YJFNCLIZZNUVRZ-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379417;MM379417;C=NN=CC(C=NO)=CN;JFXCSRUXNNMZFC-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379418;MM379418;C#CC(C=CF)C(O)CO;ATLOBGBNSDIAGJ-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379419;MM379419;C#CC(=C)C(=O)CNN=C;CKJCYTMZWPJRHO-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379420;MM379420;C#CC(C=CF)C(F)CC;PFZLIFAIDUEXQJ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379421;MM379421;C#CC=CC(C=NO)=NN;PYFFKAIVSSEJPE-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379422;MM379422;C#CC(C=CC)C(F)CN;ZWKSGFYSIWDLSP-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379423;MM379423;C#CC=CC(C=NN)=NO;LXBGLTXRGCKQKC-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379424;MM379424;C#CC(C=CF)C(F)CN;PBJZEZYWKSTUBE-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379425;MM379425;C#CC=CC(C=NO)=NO;KRIDJJLVIRQDAK-UHFFFAOYSA-N;138.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379426;MM379426;C#CC(C=CC)C(F)CO;AQXUQSBJUSJIFG-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379427;MM379427;CC#CC(C=CCC)=CC;JVULNQBXIHKYNI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379428;MM379428;C#CC(C=CF)C(F)CO;ZJGDHUGDLRSAOA-UHFFFAOYSA-N;146.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379429;MM379429;CC#CC(C=CCN)=CC;KHBAKLZUICZPEQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379430;MM379430;C#CC(C=CF)C(F)CF;XFPHLYHNFRFEHB-UHFFFAOYSA-N;148.13;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379431;MM379431;CC#CC(C=CCO)=CF;YKJCQVCVNBFIRH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379432;MM379432;O=CCC1=CCC(O)C1;ZTFVANNIKIEFQE-UHFFFAOYSA-N;126.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379433;MM379433;CC#CC(C=CCF)=CF;QPFUQVKPCGODTL-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379434;MM379434;C#CC(C=CC)C(C)C=C;FNSCAGVUKYGDOU-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379435;MM379435;CC#CC(C=COC)=CC;GUFYYPXZGIJZKV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379436;MM379436;C#CC(C=CF)C(C)C=C;XPJCEMVCUIZHAM-UHFFFAOYSA-N;138.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379437;MM379437;CC#CC(C=COC)=CF;KKUINGPLSCZICE-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379438;MM379438;C#CC(C=CC)C(C)C=O;SZFHQKXWSVPGMF-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379439;MM379439;C#CCC=C(C)C(O)CC;YWUWAKYMQCLPIN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379440;MM379440;C#CC(C=CF)C(C)C=O;BTWGDQKJUWJDER-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379441;MM379441;CC#CC(C=CCF)=NN;OOUFQJPFNQRJLY-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379442;MM379442;C#CC(C=CF)C(N)C=C;IEQZMGWQIMWOKC-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379443;MM379443;CC#CC(=CC=NC)NN;HQUNPNUATYVDJF-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379444;MM379444;C=C1C(C)C=NN1C=O;MBNVOUCKXZGGKL-UHFFFAOYSA-N;124.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379445;MM379445;CC#CC(C=NNC)=CC;KVIBNNPKAPTWCN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379446;MM379446;C#CC(C=NO)C(C)C=C;UHFHIFBNLDGUPD-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379447;MM379447;CC#CC(C=NNC)=CF;XTBCQSXTLYQIRL-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379448;MM379448;C#CC(C=NN)N(C)C=O;CRZMYRWKNCRTAJ-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379449;MM379449;CC#CC(C=NOC)=CC;BVWKEFVBPXMUSC-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379450;MM379450;C#CC(C=NN)N(C)N=C;DESKNAPPSRUYSZ-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379451;MM379451;CC#CC(C=NOC)=CN;CKZQXQNFDVKVFN-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379452;MM379452;C#CC(N)C(C#C)C=CF;YIGCHRYFWDWQBT-UHFFFAOYSA-N;137.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379453;MM379453;CC#CC(C=NOC)=CF;MCAUAFRHYCTXKT-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379454;MM379454;C=C(CC)C(C=CC)CN;MHUVXTOGJAXKLY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379455;MM379455;C#CCC1C(C)C1(C)CO;JLPYCBVFDISWEQ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379456;MM379456;C=C(CC)C(C=CF)CN;YTJGAQCJCCURQN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379457;MM379457;CC#CC(C=NOC)=NO;AGHQUEGUHKCPGG-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379458;MM379458;C=C(CF)C(C=CF)CN;HWKAMVNRBYMDQG-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379459;MM379459;C=CC=CC(C#CC)=CF;BSMQNRZMXRSOQK-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379460;MM379460;C=C(CN)C(C=CC)CF;HTVQSGYJDCLPPD-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379461;MM379461;C=CC=CC(C#CC)=NO;YHADIYWOFRCYDW-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379462;MM379462;CCC(C=CF)C(=O)CF;MHJYUOLVWIQFLP-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379463;MM379463;CC#CC(C=CC#N)=NO;ODJFMEUDPIYIDP-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379464;MM379464;CCC(=O)C(C=CF)CF;ZUILUXANFOMIRT-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379465;MM379465;CC=CC(CF)C(=O)CF;DIVFECIZUIPCOV-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379466;MM379466;C#CC=CC(C#CC)=CF;FUHZGOZHNLFXRV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379467;MM379467;C=C(CN)C(C=NO)CO;SNSQBHJBWUUWNG-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379468;MM379468;CCC#CC(CC)CCC;FJEPKCUPCNVBQI-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379469;MM379469;C=C(CO)C(C=NO)CO;QXJXNXKVRBXWDN-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379470;MM379470;CCCC(C#CCN)CC;VVMATRMVYGMVAX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379471;MM379471;CCC(C=NO)C(=O)CO;ZFNGQYDCWBVKJQ-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379472;MM379472;CCCC(C#CCO)CC;ZDGOEXYGLYHPRT-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379473;MM379473;CCC(C=CF)C(=N)NC;JHRMKPPKAHZGIU-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379474;MM379474;CCC(C#CCN)CCN;YOQGCUZIOQJXJX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379475;MM379475;CC=CC(CC)C(=N)NN;ADMYGYUEKSSKAQ-UHFFFAOYSA-N;141.22;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379476;MM379476;CCC(C#CCO)CCN;IBWJJPGHFMOLEA-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379477;MM379477;CCC(C=CF)C(=N)NN;UDINMIAFVMMHPY-UHFFFAOYSA-N;145.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379478;MM379478;CCC(C#CCF)CCN;PNSDEHJKSCVHEO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379479;MM379479;CC=CC(CC)C(=N)NO;BMCOQRVVAICFPU-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379480;MM379480;CCC(C#CCN)CCO;PMNWXGZQTQATER-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379481;MM379481;CCC(C=CF)C(=N)NO;DAZRTDSZRUPWBJ-UHFFFAOYSA-N;146.17;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379482;MM379482;CCC(C#CCO)CCO;IQSZSCYBZARAIQ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379483;MM379483;CC=CC(CO)C(=N)NC;SDMSUFOECWGTQQ-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379484;MM379484;CCC(C#CCO)CCF;QEVMKDILEKTLNE-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379485;MM379485;CNC(=N)C(C=CF)CO;OGLQNBNXTCLKDF-UHFFFAOYSA-N;146.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379486;MM379486;CCC#CC(CN)CCC;OQXDAIADJAOEQM-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379487;MM379487;CC=CC(CF)C(=N)NN;FBWZQWCZQUHURZ-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379488;MM379488;CCCC(C#CCN)CN;WOBRBSBXIJXPGF-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379489;MM379489;N=C(NO)C(C=CF)CF;HZAGPLQWBYLBSC-UHFFFAOYSA-N;150.13;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379490;MM379490;CCCC(C#CCO)CN;DZXJZEMGNWQYKJ-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379491;MM379491;O=CC(=O)C1CN1C=O;NWHGISJWQOQZPX-UHFFFAOYSA-N;127.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379492;MM379492;NCC#CC(CN)CCN;QTZIJJZLLVHXRP-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379493;MM379493;CC=CC(CC)C(=O)NO;NMHMGUHEJYGLKU-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379494;MM379494;NCCC(C#CCO)CN;QQTBRIPIJXRCLA-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379495;MM379495;CC#CCN1CC1C=O;HISFLQFDOWNREG-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379496;MM379496;NCC#CC(CN)CCF;DXISANHXNJBMJG-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379497;MM379497;CC=CC(CF)C(=O)NO;AOFXUUMHSKWESO-UHFFFAOYSA-N;147.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379498;MM379498;NCC(C#CCO)CCF;MIXQNXXHULSYAJ-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379499;MM379499;CCC(C=NO)C(=O)NC;MYDNZAJQBKNICR-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379500;MM379500;NCC(C#CCF)CCF;HWGPVZKHNBEBET-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379501;MM379501;CC=CC(CN)C(=O)OC;ISDAMYPCLZBOGS-UHFFFAOYSA-N;143.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379502;MM379502;CCCC(C#CCO)CO;BLEUKYRFDKJFTL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379503;MM379503;COC(=O)C(C=CF)CN;JHOYVWHHPLHRPN-UHFFFAOYSA-N;147.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379504;MM379504;NCC#CC(CO)CCF;HADVJPNOJHDUKM-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379505;MM379505;C=C(CC)C(C=CF)NC;TYKPKAIAHYKLHP-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379506;MM379506;NCC#CC(CF)CCN;SOLMMVSXWSMVOU-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379507;MM379507;C=C(CF)C(C=CF)NC;BPMDOHSOLAZVAV-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379508;MM379508;NCCC(C#CCO)CF;FBWXAUQLDAERSM-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379509;MM379509;CC=CC(NC)C(=N)NC;UPQFTEGAVCZKTA-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379510;MM379510;NCCC(C#CCF)CF;UPLDMXHVTVEFBU-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379511;MM379511;CC#CCC(O)C1CC1;FPOUBEZHVLAUKV-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379512;MM379512;NCC#CC(CF)CCO;ICKSTTZSHIFBTC-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379513;MM379513;CNC(C=NN)C(=O)NO;FPYUSLPEOKYKCQ-UHFFFAOYSA-N;146.15;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379514;MM379514;CCC(C)=CC(C)(C)CO;ZRYUSRNMUYFRKJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379515;MM379515;OCC#CC(CF)CCO;OONZNZICUKGSCY-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379516;MM379516;COC(C=CF)C(=O)CO;SCOVRATXVZRDLR-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379517;MM379517;OCCC(C#CCF)CF;BIJVFXMYVVLTLZ-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379518;MM379518;COC(C=CF)C(=N)NN;YAMSVLILEKWYIJ-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379519;MM379519;NCC#CC(CF)CCF;MJWPZPNSDDOMJY-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379520;MM379520;CC=CC(OC)C(=O)NC;YYCGXGFUMWWPHI-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379521;MM379521;OCC#CC(CF)CCF;RQGYPAZQCULRCI-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379522;MM379522;COC(C=CF)C(=O)NO;UWWIZRKFPSMUES-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379523;MM379523;FCC#CC(CF)CCF;BOMJOJQPUJQRMS-UHFFFAOYSA-N;150.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379524;MM379524;CC(=CC(C)(C)CO)CF;BRVDWNZLAMNBED-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379525;MM379525;CCC(C#CCN)CNC;JMVRVPTUUKVIQF-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379526;MM379526;CCN(C=NC)C(=N)CO;BMCOGYCUPXSBLB-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379527;MM379527;CCC(C#CCO)CNC;QLGCBYSTYBGVIX-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379528;MM379528;CC(C)(CO)CCCC=O;CTVLMOCZMVRKDO-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379529;MM379529;CCC(C#CCF)CNC;OVQNCORJAPTFLB-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379530;MM379530;CCN(C=NO)C(=O)CF;PBQZKVXUGRFIOF-UHFFFAOYSA-N;148.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379531;MM379531;CNCC(C#CCO)CO;OAIUPNQAPUWBSV-UHFFFAOYSA-N;143.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379532;MM379532;CCN(C=CF)C(=N)NN;YPEGWNVASFRTNN-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379533;MM379533;CCC#CC(CF)CNC;NSMCSLVCDFHTQH-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379534;MM379534;CC=CN(CC)C(=O)NC;CUNXWQCQUNWUTI-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379535;MM379535;CCC#CC(CO)COC;IMCPRCBZCLGFGM-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379536;MM379536;CC=CN(CC)C(=O)NO;RLFQRRFBIBRYJZ-UHFFFAOYSA-N;144.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379537;MM379537;COCC(C#CCN)CO;SQLRZECEMSVFRL-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379538;MM379538;CCN(C=NC)C(=O)NO;OSWMLDCTWNWTPL-UHFFFAOYSA-N;145.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379539;MM379539;COCC(C#CCF)CO;XPNBHIGTUZAOPP-UHFFFAOYSA-N;146.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379540;MM379540;CNN(C=CF)C(=N)CF;ZKJZFZVXYLWGBF-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379541;MM379541;CCCC(C#CCN)NC;MQYZLBGQCMQWGO-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379542;MM379542;C#CC(=C)CC1CC1(C)O;PWRJNLFMYGYZIX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379543;MM379543;CCCC(C#CCO)NC;VFSOOVWQEUKQLY-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379544;MM379544;CCC1=CC(C)(O)C(C)=C1;QILZGPPSKAJVJR-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379545;MM379545;CCC#CC(CCN)NC;ATUPEUMHOQKHNK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379546;MM379546;CC=CN(NC)C(=N)NC;ZFHQVPMYCCRAEN-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379547;MM379547;CCC#CC(CCF)NC;MLNDGNCSAQBLEX-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379548;MM379548;C=C(C)C(=C)C1(C)CC1O;FYEJLLRPCOZQIR-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379549;MM379549;CNC(C#CCN)CCF;VQIQZZBFIZVHBA-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379550;MM379550;COC(C)=NNCC(C)=O;ABYSAYFNHGNWPC-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379551;MM379551;CNC(C#CCF)CCF;JBJQOYPWATWJPR-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379552;MM379552;CNN(C=NN)C(=N)NN;XHWRKNJGGOOIIA-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379553;MM379553;CNCC(C#CCO)NC;KQFJOQGBPAILPL-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379554;MM379554;C=CC(C)C(=C)CC(C)O;JCNDWZLJHQKYGR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379555;MM379555;CCCC(C#CCO)OC;LYMTYNQWUSBAMR-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379556;MM379556;CNC(=O)N(C=NO)NC;AVRMESQCCUILJO-UHFFFAOYSA-N;146.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379557;MM379557;CCC#CC(CCN)OC;OUOYPXQPQLSBTI-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379558;MM379558;CNN(C=NO)C(=O)NN;DXNSNJQWEJQZBF-UHFFFAOYSA-N;147.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379559;MM379559;COC(C#CCO)CCN;VEJGXNXCFQMCDL-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379560;MM379560;CNN(C=NN)C(=O)NO;FJBMQRBJUKIBEN-UHFFFAOYSA-N;147.14;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379561;MM379561;CCC#CC(CCO)OC;HHUVXRHXTWFBQM-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379562;MM379562;CNN(C=NO)C(=O)NO;YWGMWBVFQWGTLS-UHFFFAOYSA-N;148.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379563;MM379563;COC(C#CCN)CCO;KXEQPGRVOSEAAP-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379564;MM379564;C=C(CC(C)O)C(C)C=O;CROZPNKCLJXGQA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379565;MM379565;CNCC(C#CCN)OC;CVIVNSLJGBRLDK-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379566;MM379566;CNN(C=NO)C(=O)OC;MREWAXHDKYXMAY-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379567;MM379567;CCC#CC(COC)OC;JNDACNQYPWUGDT-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379568;MM379568;CC=CN(OC)C(=N)CC;LKBPCAJLPWQWKE-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379569;MM379569;COCC(C#CCN)OC;LBANLBJPCKNXMK-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379570;MM379570;CC(C=O)=C(C)CC(C)O;OHPNQHLJUNFDEK-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379571;MM379571;COCC(C#CCO)OC;YUKMKICSBKFRTO-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379572;MM379572;CON(C=CF)C(=O)CO;WBWXJNYHWJKPOZ-UHFFFAOYSA-N;149.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379573;MM379573;COCC(C#CCF)OC;QIVSZTJYPODSHE-UHFFFAOYSA-N;146.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379574;MM379574;CC=C(CC=O)CC(C)O;WZIQKACFVQZQNL-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379575;MM379575;CCNC(C#CCO)CC;JTQAJIOQALLAIN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379576;MM379576;CON(C=NO)C(=N)CO;NRFAIQVQRSOBFR-UHFFFAOYSA-N;147.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379577;MM379577;CCNC(C#CCO)CN;ZRNVQDSTHFDUHG-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379578;MM379578;CON(C=CF)C(=O)NN;DRJCOQSJOXADSZ-UHFFFAOYSA-N;149.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379579;MM379579;CCNC(C#CCN)CO;SYZQYVVHPHXITO-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379580;MM379580;CC=CN(OC)C(=O)NO;XWNPMEBXEDHXQE-UHFFFAOYSA-N;146.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379581;MM379581;CCOC(C#CCO)CC;BWZAWTXHJRQSLJ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379582;MM379582;CON(C=CF)C(=O)NO;FDHFIYNPBCXTMI-UHFFFAOYSA-N;150.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379583;MM379583;CCC#CC(CN)OCC;NIFRYMODEZETMM-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379584;MM379584;CNC(=N)N(C=NN)OC;GGGJSCSMBPDNEJ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379585;MM379585;CCC#CC(CO)OCC;NKALAFMPIAISGX-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379586;MM379586;CNC(=N)N(C=NO)OC;NGXBLUCAITXMDI-UHFFFAOYSA-N;146.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379587;MM379587;C=CC#CC(CC)CCC;WVYPKLHPQKHHHQ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379588;MM379588;CN=CN(OC)C(=N)NN;QHBWASTUZWVANW-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379589;MM379589;CCCC(C#CC=O)CC;OLPZWDHQOLMAAK-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379590;MM379590;CNC(=O)N(C=NN)OC;RZYKYAJUXHUOPU-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379591;MM379591;CCCC(C#CC#N)CC;PQEHXGGSZBLZNA-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379592;MM379592;CNC(=O)N(C=NO)OC;OXDQJCNJFZOOSJ-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379593;MM379593;CCC(C#CC=O)CCF;VIPHDJSUIUUKAJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379594;MM379594;CN=CN(OC)C(=O)NN;AOIGDRJTFHAURQ-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379595;MM379595;CCC(C#CC#N)CCF;KZRCRQSHXWPXKS-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379596;MM379596;CON(C=NO)C(=O)NN;YSSCQGVJDTWFIW-UHFFFAOYSA-N;148.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379597;MM379597;N#CC#CC(CO)CCO;HSWNFNURCKMOBB-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379598;MM379598;CN=CN(OC)C(=O)NO;WSXZSUWUTFUZKU-UHFFFAOYSA-N;147.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379599;MM379599;CCCC(C#CC#N)CF;DTPQCMQFHOKHJB-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379600;MM379600;COC(=O)N(C=CF)OC;VCQKCHDYAKLSLO-UHFFFAOYSA-N;149.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379601;MM379601;C=CC#CC(CF)CCF;SLQKKOMAFMBGHR-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379602;MM379602;C=C(OC)N(C=NO)OC;LKVUFOPDTUYUID-UHFFFAOYSA-N;146.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379603;MM379603;N#CC#CC(CF)CCF;UUHRHAGXZOMFGN-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379604;MM379604;CN=CN(OC)C(=N)OC;VVOXCDOGIOKSCE-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379605;MM379605;CCC(C#CC#N)CNC;ZQEMIRRSMMDYJR-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379606;MM379606;COC(=N)N(C=NO)OC;UQVSZFUONPJOAE-UHFFFAOYSA-N;147.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379607;MM379607;C=CC#CC(CN)CNC;PMSFQYHBNHEUQO-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379608;MM379608;COC(=O)N(C=NO)OC;RKXMZKZYEIWFBJ-UHFFFAOYSA-N;148.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379609;MM379609;C=CC#CC(CO)CNC;PQEBDYZQVGNLGQ-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379610;MM379610;CC(=O)OC(=NC=N)NN;NQWMHTIRZGKGDK-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379611;MM379611;C=CC#CC(CF)CNC;DWDPAVLPFAJLDN-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379612;MM379612;CC=NN(CC)C(=N)NC;WRMDKJXJTLCDDY-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379613;MM379613;CNCC(C#CC=O)CF;IBBNBTLTQBQYKW-UHFFFAOYSA-N;143.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379614;MM379614;C=C(C)C(=CC)CC(C)O;SGJHMUDGJNAUPQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379615;MM379615;CNCC(C#CC#N)CF;WJXNOANJEJFXGS-UHFFFAOYSA-N;140.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379616;MM379616;C=CC(=C)C(C=CF)CN;RKSPXRYPXJLVCF-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379617;MM379617;C=CC#CC(CCO)NC;BHDWMPATDLHWIO-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379618;MM379618;C=CC(=O)C(C=CF)CC;ARCQLVULEZUPQG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379619;MM379619;C=CC#CC(CCF)NC;KSIVAZKJZLWHEB-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379620;MM379620;CCC(C=CF)C(=O)C#N;MRHFGPFUNGJXDF-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379621;MM379621;C=CC#CC(COC)NC;JZRBFCLTCLZYIW-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379622;MM379622;C=CC(=O)C(C=CC)CF;GAURUBOVBBXHGP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379623;MM379623;C=CC#CC(CCC)OC;OLMUSIHCHJCRKE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379624;MM379624;C=CC(=O)C(C=CF)CF;KIUPIHBHTYHSQI-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379625;MM379625;CCCC(C#CC=O)OC;QPNKCLNKRNLHSN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379626;MM379626;N#CC(=O)C(C=CF)CF;OUUYNUDTGHGBGZ-UHFFFAOYSA-N;145.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379627;MM379627;C=CC#CC(CCN)OC;SWIPEPHBZXRAJD-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379628;MM379628;C=C(C=O)C(C=NO)CO;UZDCABPSXMPEFQ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379629;MM379629;COC(C#CC=O)CCO;VWZUPLLGEJMJEZ-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379630;MM379630;C=CC(=C)C(C=CF)NC;ZDAACRQBEIARDW-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379631;MM379631;COC(C#CC#N)CCF;CABCFJREKCBUEO-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379632;MM379632;C=C(C#N)C(C=CF)NC;WSFOMXQSJKVQDP-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379633;MM379633;C=CC#CC(CNC)OC;BQZOVNUIBDELGN-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379634;MM379634;C=C(F)C1CC(C=O)N1C;BQWQEFZQDIWSHT-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379635;MM379635;C=CC#CC(COC)OC;KKFYGZGRMIHZAN-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379636;MM379636;C=CC(=N)N(C=NC)CC;XOUNBYTZXHMRMR-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379637;MM379637;CCOC(C#CC=O)CC;DJEUECZCCGQVBN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379638;MM379638;CCN(C=NO)C(=N)C=O;VYRCFXAYLZUIIX-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379639;MM379639;CCOC(C#CC#N)CO;NGXAOTUDHHFSRL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379640;MM379640;CCN(C=NO)C(=N)C#N;FAYGJWVFLAWSFB-UHFFFAOYSA-N;140.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379641;MM379641;CCOC(C#CC=O)OC;CJXNVASPYWGBJS-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379642;MM379642;CNN(C=CF)C(=N)C=O;XDGHZSDSFOVEEN-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379643;MM379643;CCOC(C#CC#N)OC;GGFUCEYOXXAOBN-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379644;MM379644;CNN(C=CF)C(=O)C=O;RVBFQQCZFJTOPU-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379645;MM379645;C#CC#CC(CN)CCF;MCPTVPMRCALNIV-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379646;MM379646;C=CC(=C)N(C=NC)NC;IQJYGZLHURKXJG-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379647;MM379647;C#CC#CC(CO)CCO;SJKLLTHAOYUTCY-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379648;MM379648;C#CC#CC(CO)CCF;UOFRBRMYMNUTEI-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379649;MM379649;COCC(=NOC)C(C)=O;WMRYCBSJVNRSKP-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379650;MM379650;C#CC#CC(CF)CCN;YVDQRTGTXHBNRL-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379651;MM379651;C=CCC1=CC(O)C(C)C1;ADQXPAJZPCGMKV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379652;MM379652;C#CC#CC(CF)CCF;QXKKAXSXEKFRPA-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379653;MM379653;C=CC(=N)N(C=NC)NC;PUMLEXLYABJXSL-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379654;MM379654;C#CC#CC(CC)CNC;ZHGCFELYDZYHPC-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379655;MM379655;CCCC1=NC(=N)C(=N)N1;OWVOYFMEIIPGRO-UHFFFAOYSA-N;138.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379656;MM379656;C#CC#CC(CO)COC;QUGTXUKBPSGYSZ-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379657;MM379657;CN=CN(NC)C(=O)C=O;IVQGFYFMPARRFL-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379658;MM379658;C#CC#CC(CCO)NC;HYILMEDRHQQYGR-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379659;MM379659;CNN(C=NO)C(=O)C#N;WVSTXDMPODYXSV-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379660;MM379660;C#CC#CC(CCF)NC;JQJHTCLSOZSJKC-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379661;MM379661;CON(C=CF)C(=O)C#N;MDACBKPXURQBKK-UHFFFAOYSA-N;144.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379662;MM379662;C#CC#CC(CCC)OC;NHFKWTAJWSEXMN-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379663;MM379663;CON(C=NO)C(=N)C=O;RFRKLXHORLDHCE-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379664;MM379664;C#CC#CC(CCN)OC;GFVDYWLPPZULKZ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379665;MM379665;C=CC(=O)N(C=NC)OC;DTMLTFVBRZLWSF-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379666;MM379666;C#CC#CC(CCO)OC;WRBSFBRNNJGCQN-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379667;MM379667;CC=NN(CC)C(=N)C=O;UOAWAMQXAIVYPR-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379668;MM379668;C#CC#CC(CNC)OC;PHGJIHDHIVEQLY-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379669;MM379669;CC=NN(CC)C(=O)C=O;SHXHYTRUIIBJRV-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379670;MM379670;C#CC#CC(COC)OC;ZCTYGHCWTQDBMJ-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379671;MM379671;C#CC(=O)C(C=CF)CC;LVVCCTNINQUISO-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379672;MM379672;C=CCC(C#CCN)CC;XAMJKHOOZMMNPO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379673;MM379673;C#CC(=O)C(C=CC)CF;JBZKAGUQVMFGCT-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379674;MM379674;C=CCC(C#CCF)CC;CJSPYJFCVFDJNY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379675;MM379675;C#CC(=C)C(C=NO)CO;YLZKBHHFJBWTLD-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379676;MM379676;CCC#CC(CC)CC#N;QEDALMMOSUVJBJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379677;MM379677;C#CC(=C)C(C=CC)NC;MYXVYSAGSLPQGL-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379678;MM379678;CCC(C#CCF)CC=O;GXZBOJDRUPYZRI-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379679;MM379679;C#CC(=C)C(C=NN)OC;MMQBRWKYKMMWBR-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379680;MM379680;C=CCC(C#CCF)CN;MQTXWNMVXSIVFH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379681;MM379681;C#CC(=O)N(C=CF)NC;VDSINNNGUZDUAP-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379682;MM379682;CNN=C(C#CC#N)NC;RKXSIHRUSNLWBE-UHFFFAOYSA-N;136.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379683;MM379683;CC#CC1=CC(=O)C(=N)N1;YONJBHQMLLSMSA-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379684;MM379684;CCC#CC(CO)CC#N;MIKPNVMIPNDSLO-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379685;MM379685;C#CC(=O)N(C=NO)NC;FPPPQFJRZUTRSU-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379686;MM379686;O=CCC(C#CCF)CO;XREWCQSTCDOUEG-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379687;MM379687;C#CC(=N)N(C=CF)OC;PQMGWCNBAYCYKT-UHFFFAOYSA-N;142.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379688;MM379688;C=CCC(C#CCN)CF;XKEJAYGWWNQHPS-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379689;MM379689;C#CC(=O)N(C=CF)OC;DUFWHUCNGBVRBS-UHFFFAOYSA-N;143.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379690;MM379690;C=CCC(C#CCO)CF;LSSRJRBTDJCFGR-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379691;MM379691;N#CCC1CC2CC2(O)C1;DQSGNBLLEPDLKD-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379692;MM379692;C=CCC(C#CCF)CF;WWZUWKOFCLAUEV-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379693;MM379693;C#CC(=N)N(C=NO)OC;YICCBRQNIBFVHF-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379694;MM379694;CCC#CC(CF)CC=O;CCRJXKCRNWASMY-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379695;MM379695;C=C(CC)C(C=O)C=CC;FRCVQCBVZJYQJM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379696;MM379696;N#CCC(C#CCF)CF;PITSLRSEHRVONX-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379697;MM379697;C=C(CO)C(C#N)C=CC;OJEGAZBWVOIBEF-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379698;MM379698;C=CCC(C#CCC)NC;DOMXPCLBJHPWHR-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379699;MM379699;C=C(CF)C(C=O)C=CC;KRHUOLBVZLBQKI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379700;MM379700;C=CCC(C#CCF)NC;YFZXNTUSKWKOQK-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379701;MM379701;C=CC(C=CF)C(=O)CC;UVRLXTXMNRRHLA-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379702;MM379702;CCC#CC(CC=O)NC;SEADNTPUFHLMQZ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379703;MM379703;C=CC(C=CC)C(=O)CF;GYYFQOTYORRLBP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379704;MM379704;C=CCC(C#CCC)OC;YCYPVBGVQNZFLQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379705;MM379705;C=CC(C=CF)C(=O)CF;NLLYJVQREXLECZ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379706;MM379706;CCC#CC(CC#N)OC;NLEUFXMNHFFQNF-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379707;MM379707;C=CC(C=NN)C(=C)CC;ZOLICAFHQOJLLB-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379708;MM379708;CCC(C#CCN)NC=N;PUHSLXVSJRSXDB-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379709;MM379709;CCC1=C(C)C(C)(O)C=C1;QHAXGRSHHXZGKW-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379710;MM379710;CCC(C#CCO)NC=N;OOXYSFVVFKHVKA-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379711;MM379711;CC=CC(C=O)C(N)=NC;AUMCSJPNNQCJOI-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379712;MM379712;CCC(C#CCN)NC=O;ZPJNQUGEVPBISE-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379713;MM379713;CNC(=N)C(C#N)C=CF;BGELMGCPERETEX-UHFFFAOYSA-N;141.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379714;MM379714;CCC(C#CCO)NC=O;WRURDLUVSOGTIL-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379715;MM379715;CC=CC(C=O)C(=O)NO;UCMXHQSIOVGWBN-UHFFFAOYSA-N;143.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379716;MM379716;CCC(C#CCF)NC=O;PJUPXSPUPOGKKA-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379717;MM379717;N#CCC(F)(C#N)C=NO;OAZVZTZDIOSTSH-UHFFFAOYSA-N;141.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379718;MM379718;CCC#CC(CN)NC=N;QZOKHHUGUHOAGP-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379719;MM379719;C=C(CN)N(C=O)C=CC;YRZIIGDYHFIYDR-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379720;MM379720;N=CNC(C#CCN)CN;HRYLJGJYSDGZOF-UHFFFAOYSA-N;140.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379721;MM379721;C=CN(C=CC)C(=N)CO;GDNXYSNGOZBNNV-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379722;MM379722;CCC#CC(CN)NC=O;AFVOPLATLTVTQG-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379723;MM379723;C=C(CC)N(C=N)C=NC;UWCWKBBELDMMQV-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379724;MM379724;CCC#CC(CO)NC=N;JGDRFYLNXOGSPM-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379725;MM379725;CCC1=CC(O)(CC)C=C1;VBLMGKNZWIZTPC-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379726;MM379726;N=CNC(C#CCF)CO;APRZHCGFKHTCAF-UHFFFAOYSA-N;144.15;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379727;MM379727;C=CN(C=NO)C(=N)CF;FGDLWGANHRPKSP-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379728;MM379728;O=CNC(C#CCO)CO;FHAQJPGMVYDFNJ-UHFFFAOYSA-N;143.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379729;MM379729;C#CC(C#C)CC1(O)CC1;IPVRFRPHOYPLBC-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379730;MM379730;O=CNC(C#CCF)CO;WAACGIPJRHSTTP-UHFFFAOYSA-N;145.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379731;MM379731;C=CC(=O)CN(C=N)N=C;KEICCANOXVDVRO-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379732;MM379732;C=NNC(C#CCC)CN;VBGSSAGIWBZPAN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379733;MM379733;CCC(=O)N=C(NN)OC;RUSQTIMSLCAQQB-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379734;MM379734;C=NNC(C#CCO)CN;UMLUYELUPCROCN-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379735;MM379735;C=NNCC(=C)CCC=O;HNGVXPMDRRAWSV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379736;MM379736;C=NNC(C#CCN)CO;OMQVGXDNBCNMBX-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379737;MM379737;CN=CN(C=O)C(=N)CO;JQDVYYLDPKOJIV-UHFFFAOYSA-N;143.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379738;MM379738;C#CCNC(CF)=NN=C;NOKRTKUVKXZEFA-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379739;MM379739;N=C(CO)N(C=O)C=NN;PFIFMOLAVCFWLB-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379740;MM379740;CCC(C#CCO)OC=O;NGHKRMZPECYNNS-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379741;MM379741;N=C(CO)N(C=O)C=NO;WYWZKMMGUBRPGY-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379742;MM379742;C=COC(C#CCF)CN;NQDDFLKPBCEPKB-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379743;MM379743;N=C(CF)N(C=O)C=NN;PKNMQNWTIPKMLM-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379744;MM379744;C=COC(C#CCC)CO;LWOPLKJKWAOIBG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379745;MM379745;N=C(CF)N(C=O)C=NO;FQXJJAOQQBBOOF-UHFFFAOYSA-N;147.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379746;MM379746;CCC#CC(CO)OC=O;NWCMCGKQIARUEK-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379747;MM379747;C=CN(C=NO)C(=O)CC;VAPXTIXNFMIXPC-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379748;MM379748;C=COC(C#CCN)CF;BPZGVWMCQSWZDQ-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379749;MM379749;C=CN(C=NO)C(=O)CF;BVOQMGCLOMZUIY-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379750;MM379750;C=NOC(C#CCC)CC;GNPKMSIFXXTLTF-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379751;MM379751;N=CN(C=NN)C(=O)CO;LMRSXKHACPFDSB-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379752;MM379752;C=NOC(C#CCN)CC;BQVWUVQDKSSGLH-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379753;MM379753;N=CN(C=NO)C(=O)CO;YHEKCECZKZZLBS-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379754;MM379754;C=NOC(C#N)=NNCC;GZAFOFQUNCHRHV-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379755;MM379755;C#CC(=O)ONC=NN=C;SMBJOSVMEGTEPC-UHFFFAOYSA-N;139.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379756;MM379756;C=NOC(C#CCN)CO;NRYBBPHLJYJYKO-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379757;MM379757;N=CN(C=NN)C(=O)CF;VNILQKIYXGVSCZ-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379758;MM379758;C=NOC(C#CCN)CF;GOVKYMSIBUOGMR-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379759;MM379759;N=CN(C=NO)C(=O)CF;NUTWOPFKHXIZPQ-UHFFFAOYSA-N;147.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379760;MM379760;CNC(C#N)=NN=COC;UXURBDTTXGEYFE-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379761;MM379761;O=CN(C=NO)C(=O)CO;NOWWDGNIIBYUAX-UHFFFAOYSA-N;146.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379762;MM379762;C=COC(C#CCC)OC;XODMONNXIZFFQH-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379763;MM379763;NN=CN(C=O)C(=O)CF;VZAYNVJPCNBFLC-UHFFFAOYSA-N;147.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379764;MM379764;C=COC(C#CCF)OC;XLQYUUWDCPMDDZ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379765;MM379765;O=CN(C=NO)C(=O)CF;WOBWRTUOAHYZMM-UHFFFAOYSA-N;148.09;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379766;MM379766;CCC#CC(OC)OC=O;GHRHKFIXWALDHA-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379767;MM379767;CNC(=N)N(C=N)C=CF;UVHJNUYGESGPJP-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379768;MM379768;COC(C#CCN)OC=O;RBWPKVKOYNUISL-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379769;MM379769;N=CN(C=CF)C(=N)NN;STFVKKNHQOTRGI-UHFFFAOYSA-N;145.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379770;MM379770;CCNc1ccc(CC)[nH]1;SMBYOMKAPSQDTD-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379771;MM379771;CC=CN(C=O)C(=N)NN;BFHQQOBJGKAXFE-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379772;MM379772;C=CC#CC(CC)CC=C;GHUWUFXWATVKFD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379773;MM379773;CNN=C(NC)C(F)CF;OOORTWGGEVZSTR-UHFFFAOYSA-N;151.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379774;MM379774;C=CCC(C#CC=O)CC;HCLYYPLPCRYSHO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379775;MM379775;C=CN(C=CF)C(=O)NO;BOHHAMCQXNAZSA-UHFFFAOYSA-N;146.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379776;MM379776;C=CCC(C#CC#N)CC;VCLFJLKZVSOSKG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379777;MM379777;C=CN(N)C(CF)=NNC;KLPLCDVALBOTHT-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379778;MM379778;C=CC#CC(CC)CC#N;JOCHOXICAWVLAH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379779;MM379779;CC=CN(C=O)C(=O)NC;ZOBZTYAMKSUECU-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379780;MM379780;CCC(C#CC#N)CC=O;PCBZZHAGCLXHER-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379781;MM379781;CNC(=O)N(C=O)C=CF;YHZUECWQYXNXCP-UHFFFAOYSA-N;146.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379782;MM379782;CCC(C#CC#N)CC#N;PQGIYSRXFAAHBR-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379783;MM379783;NNC(=O)N(C=O)C=CF;ZFFPGJTZNJWKSD-UHFFFAOYSA-N;147.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379784;MM379784;C=CC#CC(CN)CC=C;INDYOOKHPZOAOF-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379785;MM379785;O=CN(C=CF)C(=O)NO;GVVXXRSQIPXOSA-UHFFFAOYSA-N;148.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379786;MM379786;C=CCC(C#CC=O)CF;KLEHDOKWSBWSDF-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379787;MM379787;C=CN(C=NO)C(=N)NC;NRTIRHHCDGOCLT-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379788;MM379788;C=CCC(C#CC#N)CF;AKYIAAANHBWQDN-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379789;MM379789;C=CN(C=NO)C(=N)NN;KUSNVSLRKLMTRF-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379790;MM379790;N#CC#CC(CF)CC=O;YRVOPZCXZGNKPI-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379791;MM379791;C=CN(C=NN)C(=N)NO;UNGHNWWUZMMXJJ-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379792;MM379792;N#CC#CC(CF)CC#N;ILJHPKQZLBXGST-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379793;MM379793;CN=CN(C=N)C(=N)NC;RCDNDPHCCXJCNH-UHFFFAOYSA-N;141.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379794;MM379794;C=CC#CC(CC=C)NC;LBUVKNOPHJXOIT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379795;MM379795;CN=CN(C=N)C(=N)NN;YJBIMQBGANIXPZ-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379796;MM379796;CNC(C#CC=O)CC#N;RTEIKGSMCAAOTQ-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379797;MM379797;N=CN(C=NN)C(=N)NN;YKIWSKPPOYDZSA-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379798;MM379798;CNC(C#CC#N)CC#N;DWHXINQEJQEHDM-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379799;MM379799;C=CNC(C=O)=NNCC;XUEFOEZEKWMYJZ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379800;MM379800;C=CC#CC(CC#N)OC;JGGURZMFKVQDRP-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379801;MM379801;CCCNc1noc(=O)o1;ZXRKBYDIACLZMW-UHFFFAOYSA-N;144.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379802;MM379802;C=CC#CC(CC)NC=O;QARIREHJAAYRJN-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379803;MM379803;CC(C)C(C)C1C(C)C1O;OPPGHRPQIRYTCV-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379804;MM379804;CCC(C#CC=O)NC=O;COLKUOZFTCKABT-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379805;MM379805;C=C(C)C(=C)C1C(C)C1O;QIMKVFXDBHPXCQ-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379806;MM379806;C=CC#CC(CO)NC=N;UWZIOFJWDNGBBX-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379807;MM379807;C=CN(C=NC)C(=O)NO;JAJNLTGILLVKAM-UHFFFAOYSA-N;143.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379808;MM379808;C=CC#CC(CO)NC=O;XTFHSPYBIZAIQX-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379809;MM379809;CC=NNC=C(C#N)C=O;CLVAUOLXZPIINO-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379810;MM379810;N=CNC(C#CC=O)CF;KZRVEUPZKYSEFG-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379811;MM379811;CNC(=O)N(C=N)C=NO;KYIUXAFZMVHDBU-UHFFFAOYSA-N;144.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379812;MM379812;O=CC#CC(CF)NC=O;UWTWDOIBPZBBFI-UHFFFAOYSA-N;143.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379813;MM379813;CCC(C=O)CC1CN1C;ABBQBOJKJYEEHI-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379814;MM379814;C=CC#CC(CN)NN=C;LJLDNNSBVSHJFD-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379815;MM379815;N=CN(C=NN)C(=O)NO;FMTBDUZZQUTIFT-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379816;MM379816;C=COC(C#CC#N)CC;QPWXUQNFBKWMIJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379817;MM379817;N=CN(C=NO)C(=O)NO;OBDUSKMYUHBEIN-UHFFFAOYSA-N;146.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379818;MM379818;C=CC#CC(CN)OC=O;YMRAUQIGBLFJAF-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379819;MM379819;CN=CN(C=O)C(=O)NC;JKRAFDQBXDUOQP-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379820;MM379820;N#CC#CC(CF)OC=O;UQJDFHZJCSQQDA-UHFFFAOYSA-N;141.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379821;MM379821;CNC(=O)N(C=O)C=NN;QMYLQZZKQGJTDH-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379822;MM379822;C=CC#CC(CN)ON=C;GLMKMWNNTHNRDO-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379823;MM379823;CNC(=O)N(C=O)C=NO;OZVLMXFPUURFHB-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379824;MM379824;C=CC#CC(OC)OC=C;CJDYGTRONGWYCV-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379825;MM379825;C=CC1CC(C#CC)C1O;MIFDEDQMVROSHV-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379826;MM379826;C=COC(C#CC#N)OC;SAOUUKYAJPVNAZ-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379827;MM379827;NN=CN(C=O)C(=O)NN;RLQHSGCSTDKXGX-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379828;MM379828;C=CC#CC(OC)OC=O;ACJYFLLNYLARHY-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379829;MM379829;NNC(=O)N(C=O)C=NO;UMINXESVJBFAEK-UHFFFAOYSA-N;146.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379830;MM379830;COC(C#CC#N)OC=O;XMPIMWRGLDKLAZ-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379831;MM379831;CN=CN(C=O)C(=O)NO;CTJKFDLVVMLVBQ-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379832;MM379832;C=Cc1c[nH]c(NCC)c1;UXBBMHVXCWCYLV-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379833;MM379833;NN=CN(C=O)C(=O)NO;CNRMCPNPOSZKNA-UHFFFAOYSA-N;146.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379834;MM379834;CNc1nn(C)c(=NN)o1;WQUWGHWKQCODGP-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379835;MM379835;C=CN(C=CC)C(=N)OC;WSAWCHUHMRRBNY-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379836;MM379836;C#CC#CC(CC)CC=C;WVLNIVFSDVKBPL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379837;MM379837;CC=CN(C=O)C(=N)OC;AGWGJMOKEBOQIJ-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379838;MM379838;C#CC#CC(CC)CC=O;JAQLMZZLQPAUOB-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379839;MM379839;CCC(CC)C1C(C)C1O;PFMKGGQOFFSHIC-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379840;MM379840;C#CC#CC(CC)CC#N;XYSJSGGGMLOVGA-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379841;MM379841;C=C(OC)N(C=O)C=NO;CDNRGJLSWGELNN-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379842;MM379842;C#CC#CC(CN)CC=C;JACGWDLPJUNKRP-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379843;MM379843;C=CC(=CC)C1C(C)C1O;NXUYBONHTNFVEU-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379844;MM379844;C#CC#CC(CF)CC=C;QTYLKKUJPRQSIX-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379845;MM379845;COC(=N)N(C=N)C=NO;ZXLOEZPJHSEJKY-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379846;MM379846;C#CC#CC(CF)CC=O;XQTWGMLWSPLMPV-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379847;MM379847;COC(=N)N(C=O)C=NO;WQTLYDSBRBHQAL-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379848;MM379848;C#CC#CC(CC=C)NC;CEINLUQIZKRLFF-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379849;MM379849;C#CC#CC(CC#N)OC;CSEAKBHNNVRKKB-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379850;MM379850;C=CN(C=NO)C(=O)OC;LZQQJPNIMHZAJY-UHFFFAOYSA-N;144.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379851;MM379851;C#CC#CC(CO)NC=N;BGSGKYQELXMAOX-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379852;MM379852;C#CC#CCN1CC1C=O;RNSVSPHJUWKAIC-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379853;MM379853;C#CC#CC(CF)NC=O;ISKVDDKPTFYFKL-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379854;MM379854;COC(=O)N(C=N)C=NO;WJXBFNXNAVHUIR-UHFFFAOYSA-N;145.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379855;MM379855;C#CC#CC(CN)NN=C;VNPKZBNUTVRYGU-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379856;MM379856;COC(=O)N(C=O)C=NN;RHPBXHYRSRNVMC-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379857;MM379857;C#CC#CC(CO)OC=O;SHDQSZMGGSIQIB-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379858;MM379858;COC(=O)N(C=O)C=NO;YNDIJEZBCPFSBW-UHFFFAOYSA-N;146.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379859;MM379859;C=NN(C=CF)C(=O)CO;NWVVNMRNZHILKH-UHFFFAOYSA-N;146.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379860;MM379860;C#CC#CC(OC)OC=C;ASRIBJJZBOYABQ-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379861;MM379861;C=CC1CCC1O;SCAOLGUYHGBWLM-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379862;MM379862;C#CC#CC(OC)OC=O;RCOLWCNYIJKBCL-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379863;MM379863;C=NN(C=NO)C(=N)CO;IIRGDBOGSAPVIX-UHFFFAOYSA-N;144.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379864;MM379864;C=C1C(CC)C=NN1C=O;HITAAWGPIPUCMD-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379865;MM379865;C=C(C)C1(C)CC1O;YNRGZCBSVGDCQY-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379866;MM379866;C#CCC(C#CCC)CC;BKQPFQUNTSJIJQ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379867;MM379867;C=NN(C=NO)C(=N)CF;NBCSPZVETQVYHJ-UHFFFAOYSA-N;146.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379868;MM379868;C#CCC(C#CCC)CN;HPLIPTVCPZYMJQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379869;MM379869;C=NN(C=NC)C(=O)CO;CBVICFRRTOHEDX-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379870;MM379870;C#CCC(C#CCF)CN;KVQZOTAIWAEYPK-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379871;MM379871;CC(=O)C1NC1C#N;GJXABHLEXPESKA-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379872;MM379872;CC#Cc1c[nH]c(N)c1C;JSZVSMFLYMRGOJ-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379873;MM379873;C=NN(C=NN)C(=N)NC;SETBNIADFGKIPU-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379874;MM379874;C#CCC(C#CCO)CO;KKTUIRZNHZULMP-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379875;MM379875;C=C(C)C1C(C)C1O;AHONSJRZTQMYIF-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379876;MM379876;C#CCC(C#CCO)CF;ZHODLWIHDYMSOW-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379877;MM379877;C=CC1C(O)C1CC;FOVIKIJKXFPJOC-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379878;MM379878;C#CCC(C#CCF)CF;YIHPMFKCAJHLJK-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379879;MM379879;C=NN(C=NO)C(=O)NC;LEWPRAPUZIYOCJ-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379880;MM379880;C#CCC(C#CCC)NC;YWJGKKGDIXGGGF-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379881;MM379881;C=NN(C=NN)C(=O)NN;DBCCZZUACRXSLY-UHFFFAOYSA-N;144.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379882;MM379882;C#CCC(C#CCF)NC;UQWHGHCQLOEKMN-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379883;MM379883;C=NN(C=NO)C(=O)NN;WIYDIMBZFIWUAY-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379884;MM379884;C#CCC(C#CCC)OC;DBLBXZDTDDZYTR-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379885;MM379885;C=NN(C=NN)C(=O)NO;UWLRQLOOJAATME-UHFFFAOYSA-N;145.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379886;MM379886;C#CCC(C#CCN)OC;AOJJIDZCLYDZLU-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379887;MM379887;C=NN(C=NO)C(=O)NO;OALZGGFOFUQMBN-UHFFFAOYSA-N;146.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379888;MM379888;C#CCC(C#CCO)OC;UORRPQMLCSKAHD-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379889;MM379889;C=NN(C=CC)C(=N)OC;QZLJNZJGSBFNDN-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379890;MM379890;C#CCC(C#CC=C)CC;BCLDGGDNYUHYAQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379891;MM379891;C=NN(C=CF)C(=N)OC;OASCNBKWCZWUPB-UHFFFAOYSA-N;145.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379892;MM379892;C#CCC(C#CC#N)CC;DCWYRORXYOHTQO-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379893;MM379893;CC(O)CC(C)C(C)C;KHSOOQUMPPYGAW-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379894;MM379894;C#CCC(C#CC=C)CN;WZIQKGNDMOIJSN-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379895;MM379895;C=NN(C=NO)C(=N)OC;ONLXWSIZJDBPCW-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379896;MM379896;C#CCC(C#CC=C)OC;RTAQUKYAVGHMSH-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379897;MM379897;C#CCC(=C)CC(C)O;ZDAJNRNGTOQIGP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379898;MM379898;C#CCC(C#CC=O)OC;UFGRDTYBJAAOQA-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379899;MM379899;C=C(CF)N(C=N)N=CC;QEXQBBAFMNEFNA-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379900;MM379900;C#CC#CC(CC)CC#C;VWRNIEBRKQQZPS-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379901;MM379901;CC#CCC(C)(C)CO;PMQOMJCJNCMFSO-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379902;MM379902;C#CC#CC(CC#C)NC;FCHPUWVUKHXVTL-UHFFFAOYSA-N;131.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379903;MM379903;C=C(CF)N(C=O)N=CC;UKTCTLUDWJQQPK-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379904;MM379904;C#CC#CC(CC#C)OC;VAYHEWIZGYUSSA-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379905;MM379905;CC=NN(C=N)C(=N)CC;GFKFLOJWQXAFNV-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379906;MM379906;C=CC(C#CCN)CCC;QKYFYVRFTUMTFL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379907;MM379907;CCC(CC)CC(C)O;ALAPJJMGVQNJIU-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379908;MM379908;C=CC(C#CCO)CCC;DYTAFTURWCEOGE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379909;MM379909;C#CC(C=C)CC(C)O;LEZZYESHDLFFCO-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379910;MM379910;C=CC(C#CCF)CCC;GRLXLNBUUMBCNS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379911;MM379911;CNN=C(NN)C(C)F;NEDXXJQDNDPGAE-UHFFFAOYSA-N;134.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379912;MM379912;C=CC(C#CCC)CCN;GUGHIZCTHBFYLO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379913;MM379913;CC=NN(C=N)C(=O)CO;SRCYTTROEUJURH-UHFFFAOYSA-N;143.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379914;MM379914;C=CC(C#CCF)CCN;XMIKRCAOGDAICX-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379915;MM379915;C=CCc1nc(N)co1;LVQSYRUSEULBTM-UHFFFAOYSA-N;124.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379916;MM379916;C=NN1C(C)C1C(=O)C=O;RSLBQPRKFOTADH-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379917;MM379917;CC=NN(C=O)C(=O)CO;SDBDZMSQLAMVQR-UHFFFAOYSA-N;144.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379918;MM379918;C=CC(C#CCN)CCF;PYGDIZLNYUOTGK-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379919;MM379919;CC=NN(C=N)C(=N)NC;MCZDCJRYSXJKTJ-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379920;MM379920;C=CC(C#CCO)CCF;GBDGZTOURGWHOW-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379921;MM379921;C=C1CCC(CO)C1=C;MYBXTZJKGJJSIE-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379922;MM379922;C=CC(C#CCF)CCF;OQWKMQWEJRUKOS-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379923;MM379923;CC=NN(C=N)C(=O)NN;MSCHAAMGOBJRCG-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379924;MM379924;CCC#CC(C#N)CCC;JTQANYIIZFJOKJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379925;MM379925;CC=NN(C=N)C(=O)NO;UJAYUPXEPWPUCT-UHFFFAOYSA-N;144.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379926;MM379926;CCCC(C#CCO)C=O;LXSVCIXYKZFXSR-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379927;MM379927;CC=NN(C=O)C(=O)NN;MQCXENBLKXGIJE-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379928;MM379928;CCCC(C#CCF)C=O;RHRJMNSGQOUYRB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379929;MM379929;CC=NN(C=O)C(=O)NO;GVZHJEVOVNBHEA-UHFFFAOYSA-N;145.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379930;MM379930;N#CC(C#CCO)CCO;XISQWJQXNXBXOC-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379931;MM379931;C=C(OC)N(C=O)N=CC;MJAMGCFARRDZLW-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379932;MM379932;O=CC(C#CCF)CCO;QRAKALYMMLXEAH-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379933;MM379933;C=CN(N=CC)C(=N)OC;ZMWLCHKRJKIPBY-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379934;MM379934;CCC#CC(C=O)CCF;ROKNBNUXHWMVOC-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379935;MM379935;CC=NN(C=O)C(=N)OC;WPEGEJVBDABWDZ-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379936;MM379936;C=CC(C#CCC)CNC;LNAYQCMYGLOAHH-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379937;MM379937;C=CN(N=CC)C(=O)OC;VTIDERZHRJXNLI-UHFFFAOYSA-N;142.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379938;MM379938;C=CC(C#CCN)CNC;JEMPKEVZRSHZKW-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379939;MM379939;CC=NN(C=O)C(=O)OC;ZKQHMJWGEDKFFP-UHFFFAOYSA-N;144.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379940;MM379940;C=CC(C#CCF)CNC;MEWJKCAJPLHPFJ-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379941;MM379941;C=CC(C=CC)C(=C)C=O;ANHVURRTQIYFGW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379942;MM379942;C=CC(C#CCC)COC;UBDMITYGZZVXPQ-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379943;MM379943;C=CC(C=CF)C(=C)C=O;WHHCKFFQKHBGSS-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379944;MM379944;COCC(C#N)C#CCF;BUAMZTKDQOGSQH-UHFFFAOYSA-N;141.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379945;MM379945;C=CC(=C)C(C=O)C=CC;WVHDTWMUMDSCHU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379946;MM379946;C=CC(C#CCF)NCC;YYYWLFWHRDIZFC-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379947;MM379947;C=CC(=C)C(C=O)C=CF;ZXDRDGKSFKUTEY-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379948;MM379948;C=CC(C#CCN)OCC;VJVIVNVJOFBESR-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379949;MM379949;C=C(C=O)C(C=O)C=CC;NJMGHMAQHBTJNV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379950;MM379950;C=CC(C#CCF)OCC;BMKFCMBJRFJVST-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379951;MM379951;C=C(C#N)C(C=O)C=CC;FTGVZMGYRWZSRL-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379952;MM379952;CCOC(C#CCO)C=O;DGEFKAZPDQIXML-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379953;MM379953;C=C(C=O)C(C=O)C=CF;XRPCYVIHSJFGRO-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379954;MM379954;CCOC(C#N)C#CCF;JNOPCPYUQQUAPC-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379955;MM379955;C=C(C=O)C(C#N)C=CF;BOWIOZNTFRVYPM-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379956;MM379956;C=CC(C#CC=O)CCC;ORNMUJXUSKSZEN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379957;MM379957;C=C(C#N)C(C=O)C=CF;ASCGXTBIESZAMK-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379958;MM379958;C=CC#CC(C=C)CCN;CWOMJVCYWVMPOP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379959;MM379959;C=CC(=O)C(C=C)C=CF;OVVNXCQYLBWBRW-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379960;MM379960;C=CC(C#CC=O)CCO;YBLUYWVSGVWCBZ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379961;MM379961;C=CC(=O)C(C#N)C=CF;ZTHWHXJQBLFKQZ-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379962;MM379962;C=CC(C#CC#N)CCO;YYGUEFSDPMGFFR-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379963;MM379963;C#CCc1n[nH]c(O)n1;DTAATKUZMZAKAC-UHFFFAOYSA-N;123.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379964;MM379964;C=CC(C#CC=O)CCF;OAHJKVYUXFJWDE-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379965;MM379965;C=C(C#N)N(C=O)C=CF;YSMTZHYEQODLFC-UHFFFAOYSA-N;140.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379966;MM379966;C=CC(C#CC#N)CCF;UEDRUHWPBOFXHM-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379967;MM379967;C=CC(=N)N(C=N)C=CC;ALCMQLUTFRPRDA-UHFFFAOYSA-N;137.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379968;MM379968;C=CC#CC(C#N)CCO;UPDVTJDCSHTQGW-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379969;MM379969;C=CC(=N)N(C=O)C=CC;GYIHQDZSWHUTOD-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379970;MM379970;N#CC#CC(C=O)CCF;CYFGUYOHRGZDCL-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379971;MM379971;CC=CN(C=O)C(=N)C#N;WTNYZSYRJYNPAS-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379972;MM379972;C=CC#CC(C=C)CNC;QWUVZSAJXMVHAR-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379973;MM379973;N=C(C=O)N(C=O)C=CF;FWNINADHAVACDI-UHFFFAOYSA-N;144.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379974;MM379974;C=CC(C#CC#N)CNC;UYHATZKEJRLNTA-UHFFFAOYSA-N;134.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379975;MM379975;CC=CN(C=N)C(=O)C=O;PCZRLUPUYRRCLZ-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379976;MM379976;C=CC#CC(C=O)CNC;ACSDKGPZUJKTFA-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379977;MM379977;CC=CN(C=N)C(=O)C#N;BTDCZGIWKRTEJL-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379978;MM379978;C=CC#CC(C#N)COC;PSBDISPVTDXCIE-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379979;MM379979;N=CN(C=CF)C(=O)C=O;WSJMMGNLNOSHCQ-UHFFFAOYSA-N;144.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379980;MM379980;COCC(C#CC#N)C=O;IWGWNYNOWPIDEM-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379981;MM379981;CC=CN(C=O)C(=O)C#N;LJYPJQMGRASACA-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379982;MM379982;C=CC(C#CC=O)OCC;OWHZUXBLRYRGGJ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379983;MM379983;C=CC(=N)N(C=C)C=NC;ZEIKAPWVCYPBQR-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379984;MM379984;C=CC(C#CC#N)OCC;FXTXGEBWENJLFO-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379985;MM379985;C=CN(C=NC)C(=N)C#N;QUTTUYNESWJBCQ-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379986;MM379986;C=CC#CC(C#N)OCC;DFXIWZZKNUXPAG-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379987;MM379987;C=CN(C=NO)C(=N)C=O;NGKOUDSQXGIPGI-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379988;MM379988;CCOC(C#N)C#CC=O;OOXDWXWDWHWMQA-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379989;MM379989;C=C1C=CC(CO)C1C;UEOAYBZKONIPHV-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379990;MM379990;C#CC#CC(C=C)CCN;OKCSGRRKNXOSNL-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379991;MM379991;CN=CN(C=N)C(=N)C=O;WIMLMKYIHGDHIJ-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379992;MM379992;C#CC#CC(C=C)CCO;ISLJIOAJWQBUQQ-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379993;MM379993;N#CC(=N)N(C=N)C=NO;ZBZWQFFGMDVBQH-UHFFFAOYSA-N;139.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379994;MM379994;C#CC#CC(C=O)CCO;JYAADAKWMATBEC-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379995;MM379995;CCC(CO)C1CC1C;BGMIAYIDRFLXMX-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379996;MM379996;C#CC#CC(C=C)CNC;VSHMAJJSNXNBCL-UHFFFAOYSA-N;133.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379997;MM379997;C=CC(=N)N(C=O)C=NO;GYILHGUTMFRWKC-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379998;MM379998;C#CC#CC(C=O)CNC;APFMXDIYAADNKA-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM379999;MM379999;CN=CN(C=O)C(=N)C=O;ZJZDFQCKBPOWRZ-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380000;MM380000;C=CC(C=C)C1C(C)C1O;DXPPWANWZVYIKF-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380001;MM380001;C=CC(=O)N(C=C)C=NC;FDZVZCUIWLIRJY-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380002;MM380002;C#CC#CC(C#N)OCC;SHSOXZCQGKUZEN-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380003;MM380003;C=CC(=O)N(C=C)C=NO;ZWVUEPQEGPTPHK-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380004;MM380004;C=CCC(C#CCC)C=C;SVTMWSPZVLKFGA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380005;MM380005;CNN(C=O)C(=O)CN;CCTUVCYCAKCWFA-UHFFFAOYSA-N;131.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380006;MM380006;C=CCC(C#CCN)C=C;POYOAOLVVPDZJS-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380007;MM380007;C=CC(=O)N(C=N)C=NO;QKRIPHVOJRVTBZ-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380008;MM380008;C=CC(C#CCC)CC=O;MCJWEXMRPFMEKJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380009;MM380009;C=CC(=O)N(C=O)C=NN;IYLQMEMPOLHYBE-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380010;MM380010;C=CC(C#CCC)CC#N;NCGKVMHIGYHRDO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380011;MM380011;C=CC(=O)N(C=CC)N=C;BYHPEYDKDIQBSU-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380012;MM380012;C=CC(C#CCF)CC=O;SWSHOGSGTSEETN-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380013;MM380013;C=NN(C=NO)C(=N)C=O;LNGYZSFTJVZRGX-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380014;MM380014;C=CCC(C#CCO)C=O;NKOBTJSDGYSAMP-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380015;MM380015;C=CC(=O)N(C=NO)N=C;VQNNFSLGQAPYNF-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380016;MM380016;C=CCC(C#CCF)C=O;UAJDETOVSNYYDN-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380017;MM380017;C=C(C#N)N(C=N)N=CC;RNKAFKABMDEWNA-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380018;MM380018;C=CCC(C#N)C#CCF;CHMUUXVRMGUATO-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380019;MM380019;C=C(C#N)N(C=O)N=CC;CLLWSMNBQDBHKS-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380020;MM380020;CCC#CC(C=O)CC#N;CNWKRXUOMUKCPZ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380021;MM380021;C=CN(N=CC)C(=N)C#N;BVZVCAWTNSEPKK-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380022;MM380022;CCC#CC(C#N)CC#N;MWIGJOHXZZDEKT-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380023;MM380023;CC=NN(C=O)C(=N)C=O;BNHWFESYDHNDGR-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380024;MM380024;N#CCC(C#CCO)C=O;VIHHUPVSXVACET-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380025;MM380025;C=CN(N=CC)C(=O)C#N;CPCSZSSEQNNFSO-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380026;MM380026;N#CC(C#CCO)CC=O;KGVCNPPRWANYPE-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380027;MM380027;CC=NN(C=N)C(=O)C=O;BYSSVEWLQZGWCL-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380028;MM380028;O=CCC(C#CCF)C=O;SPZOOBCSEWKBSB-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380029;MM380029;C=CC(=O)N(C=O)N=CC;HJRKDYWNZVPEQD-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380030;MM380030;N#CCC(C#CCF)C=O;XKZMNVPJBXGNGB-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380031;MM380031;C#CC(=C)C(C=O)C=CC;CGBAQVYOVRMEPS-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380032;MM380032;C=CC(C#CCC)NC=N;LOYUMIILAQZFDG-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380033;MM380033;C#CC(=O)C(C=O)C=CC;KFFRJGRFAGUQNE-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380034;MM380034;C=CC(C#CCN)NC=N;ULPJIPLSILUFNB-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380035;MM380035;C#CC(=O)C(C=O)C=CF;SCKJEQXHQXEHJJ-UHFFFAOYSA-N;140.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380036;MM380036;C=CC(C#CCO)NC=N;RTOBNTHJSFYNEQ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380037;MM380037;C#CC(=O)N(C=C)C=CF;FWPBXJKSZGECDC-UHFFFAOYSA-N;139.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380038;MM380038;C=CC(C#CCO)NC=O;APDKTJQSQURDKU-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380039;MM380039;C#CC(=C)N(C=O)C=NC;RUOYKHOQLNTNMY-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380040;MM380040;N#CC(C#CCO)NC=O;PIBRMBPUUOQKEO-UHFFFAOYSA-N;138.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380041;MM380041;CCC1(C(C)CO)CC1;WJPUXYYHAUVDSR-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380042;MM380042;N#CC(C#CCF)NC=O;VSOMXIYBSVFQBA-UHFFFAOYSA-N;140.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380043;MM380043;C#CC(=N)N(C=N)C=NO;MDUYDJYEKRLJMX-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380044;MM380044;C=CC(C#CCN)NN=C;CPAUGXUYLBWQFY-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380045;MM380045;C#CC1CC(OC)=NN1;GJCYJEODJQZNAX-UHFFFAOYSA-N;124.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380046;MM380046;CCC#CCNN=COC;AWUGZGNMRSMDJQ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380047;MM380047;C#CC(=N)N(C=O)C=NO;HWXQWFBUMICXAC-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380048;MM380048;CC#CCNN=COCC;OCAFDRHYDRGZPF-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380049;MM380049;C#CC(=O)N(C=C)C=NC;XVDRFASKEHEXLL-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380050;MM380050;C=COC(C#N)C#CCC;UPOPQPYDEKKHEX-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380051;MM380051;OCC12CC3CC3C1C2;WEPFBPYUSNDNEC-UHFFFAOYSA-N;124.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380052;MM380052;C=COC(C#N)C#CCF;XMTJDNYPNUJWGD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380053;MM380053;C#CC(=O)N(C=N)C=NO;ZKNVXFNSGIVBOJ-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380054;MM380054;CCC#CC(C=O)OC=O;LNQQZOZXXPPZFK-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380055;MM380055;C#CCNN=COCC#N;PTWTXSDDSFPSMU-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380056;MM380056;C#CC(=C)N(C=NO)N=C;GVKOLDQVQLXMKW-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380057;MM380057;C#CC(=C)N(C=N)N=CC;PYHCJWPAJREBTB-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380058;MM380058;CNN=CC(C)=O;UROMQJOEVGQCKB-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380059;MM380059;C#CC(=C)N(C=O)N=CC;HPQSREYJCCTHIR-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380060;MM380060;CC1(O)C=CCC1;DDZQTCKHBSEICB-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380061;MM380061;C#CC(=N)N(C=C)N=CC;QMXDZOHJALDUHJ-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380062;MM380062;C=CCC(C#CC=O)C=C;DORDZQKBODSITR-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380063;MM380063;C#CC(C=CF)C(=C)CC;BVMKGGWCTDMBEL-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380064;MM380064;C=CC#CC(C=C)CC=O;BNANZGXZUVUAQS-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380065;MM380065;C#CC(C=CF)C(=C)CN;PYODMBGUJPXDTR-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380066;MM380066;C=CC#CC(C=C)CC#N;PRCAUORFFNCEIV-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380067;MM380067;CC(F)(F)CC(F)C=NN;SNMLSNNXCYQRBP-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380068;MM380068;C=CC(C#CC=O)CC=O;VJICDWCBPCOXLZ-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380069;MM380069;C=CC(C#CC#N)CC=O;CPFQJKCYOUCPKS-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380070;MM380070;C#CC(C=CF)C(=O)CC;JQYIDXOJZUMKSC-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380071;MM380071;C=CC#CC(C=O)CC=C;MHRUXIHTDCHTFS-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380072;MM380072;C#CC(C=CC)C(=O)CF;SWCXUPDTFICCBJ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380073;MM380073;C=CC#CC(C#N)CC=C;YZWKEJDYVDNZKX-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380074;MM380074;C#CC(C=NN)C(=C)CC;CYCPZVXVAMRXCJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380075;MM380075;C=CCC(C#CC#N)C=O;IEQWRAMDCUPXAX-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380076;MM380076;C#CC(C=NN)C(=O)NO;VHXYFGYIPZJMDY-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380077;MM380077;C=CCC(C#N)C#CC#N;DOHYODODHAYNCC-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380078;MM380078;C#CC(C=CC)C(=C)C=O;JVQKWMXAVFSGPH-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380079;MM380079;C=CC#CC(C=O)CC#N;PROHFNVAPZVYBU-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380080;MM380080;C#CC(C=CC)C(=C)C#N;UKGCTAIKXXINRI-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380081;MM380081;N#CC(C#CC=O)CC=O;PDJHKTDBEMJGEG-UHFFFAOYSA-N;135.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380082;MM380082;C#CC(C=CF)C(=C)C#N;FHPRGKCHABNSLA-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380083;MM380083;C=CC#CC(C=C)NC=O;HCKLQTIJKJGRLY-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380084;MM380084;C#CC(C=CC)C(=O)C=C;LYPSZDHKXOCIRT-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380085;MM380085;C=CC(C#CC#N)NC=O;VEYHZCSKTUYGMM-UHFFFAOYSA-N;134.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380086;MM380086;C#CC(C=CC)C(=O)C#N;WUNWKEHAZPRKLG-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380087;MM380087;C=CC#CC(C=O)NC=N;VMGIEXZIFMREML-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380088;MM380088;C#CC(C=CF)C(=O)C#N;NESZTNSAZOEWJH-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380089;MM380089;O=CC#CC(C=O)NC=O;IAAPYQHGTXWQEA-UHFFFAOYSA-N;139.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380090;MM380090;CC#CC(CO)C(C)CN;ZQUZTXHKVUQTRN-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380091;MM380091;C=NNC(C#N)C#CC#N;QMNGWLLUFHWAGZ-UHFFFAOYSA-N;132.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380092;MM380092;CC#CC(CN)C(N)CC;RTVCZBHYYYSNII-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380093;MM380093;C=CC#CC(C=C)OC=C;PMCPRGFZGKIQNA-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380094;MM380094;CC#CC(CN)C(N)CO;BSYYYUZUSUHIQT-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380095;MM380095;C=COC(C#CC=O)C=C;BDXWUCCVDKQJDI-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380096;MM380096;CC#CC(CF)C(N)CC;RLHPDRUWZPTJRX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380097;MM380097;C=COC(C#CC#N)C=C;BOZYQUPZAXZYPD-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380098;MM380098;CC#CC(CC)C(O)CN;AAOQICSVQUCOGI-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380099;MM380099;C=CC(C#CC#N)OC=O;NWMXAQHABROJOL-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380100;MM380100;CC#CC(CN)C(O)CO;PWUUTVSUYVGZQP-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380101;MM380101;C=CC#CC(C=O)OC=C;JOALBKVKKRQRNW-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380102;MM380102;CC#CC(CN)C(O)CF;FXJWDISHZDVEOM-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380103;MM380103;C=CC#CC(C#N)OC=C;SNAHACFCNRSZSI-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380104;MM380104;CC#CC(CF)C(O)CN;RKBNNGQPQSLQIF-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380105;MM380105;CC1CC(C(C)O)C1;KIUPCASMVWBTHL-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380106;MM380106;CC#CC(CN)C(F)CO;XLOKYJNBBUHWGE-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380107;MM380107;C=CC1(CO)CCC1;IPUGWUWLKYCSLS-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380108;MM380108;CC#CC(CF)C(F)CN;JKPUNWFQLISDGM-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380109;MM380109;C#CC#CC(C=C)CC=O;USFQEVWAOMJJEQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380110;MM380110;CC#CC(CF)C(F)CO;APZBEHMVHSLLED-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380111;MM380111;C#CC#CC(C=C)CC#N;PQROKGCNALUKDM-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380112;MM380112;CC#CC(CC)C(C)NC;QXEJUFBVXXQUJS-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380113;MM380113;C#CC#CC(C=O)CC=C;ZHYUDSZZLZTGEJ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380114;MM380114;CC#CC(CN)C(C)NC;PRVDEZNQUAFYBF-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380115;MM380115;C#CC#CC(C#N)CC=C;FTCXWAAQIFOSAJ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380116;MM380116;CC#CC(CO)C(C)NC;CSZVJEXKEVXPOG-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380117;MM380117;C#CC#CC(C=O)CC=O;MVDVDLPNCUMZHT-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380118;MM380118;CC#CC(NC)C(C)CC;SKQFKKYPOJNVIO-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380119;MM380119;C#CC#CC(C=C)NC=N;DGZVYRYKJMMWDA-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380120;MM380120;CC#CC(NC)C(C)CN;QGSKVLFHACCGKR-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380121;MM380121;C#CC#CC(C=C)NC=O;GTLSIXMRBMWHNY-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380122;MM380122;CC#CC(NC)C(N)CN;DNWHPSNGEMOTOT-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380123;MM380123;C#CC#CC(C#N)NC=O;IZSVISKGEPLFBA-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380124;MM380124;CC#CC(NC)C(O)CC;ZDEHVIRHLAQRFR-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380125;MM380125;C#CC#CC(C#N)OC=C;VYRJPPYVEVLJFB-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380126;MM380126;CC#CC(NC)C(C)NC;YETQPRWGFHVJKQ-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380127;MM380127;CCC1NC1(C)C(C)=O;UWKCPSGMJBYJLH-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380128;MM380128;CC#CC(OC)C(N)CN;RZWXOOSVVCACSZ-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380129;MM380129;C#CCC(C#CCC)C=C;DEFFMLIKSKXBME-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380130;MM380130;CC#CC(OC)C(N)CO;TYNWOTUXMGKXPP-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380131;MM380131;C#CCC(C#CCN)C=C;KNWPNBNJOTUVMD-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380132;MM380132;CC#CC(OC)C(O)CC;BYNQUZPHTOOSPT-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380133;MM380133;C#CCC(C#CCO)C=C;DYRQUCPZYLVJMR-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380134;MM380134;CC#CC(OC)C(O)CO;HOSSZOOZUQWBCJ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380135;MM380135;C#CCC(C#CCF)C=C;XCZBZCCLEGKCTH-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380136;MM380136;CC#CC(OC)C(O)CF;UIRGSDHDXVKLAF-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380137;MM380137;C#CCC(C#CCC)C=O;SJEODMLTVJWAQP-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380138;MM380138;CC#CC(OC)C(F)CO;BWMIOSXAXGCHPK-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380139;MM380139;C#CCC(C#N)C#CCC;KOFOSASDKTYKHM-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380140;MM380140;C=CC(C)C(C#CC)CN;RVYAWGYBFWNDBP-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380141;MM380141;C#CCC(C#CC=C)C=C;PETLFJGFCIVPIF-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380142;MM380142;C=CC(C)C(C#CC)CF;ICOKWKBFCOJIQN-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380143;MM380143;C#CCC(C#CC#N)C=C;SOCHEKPWZNUGLF-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380144;MM380144;CC#CC(CF)C(C)C=O;NGODTJKZIPUAJL-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380145;MM380145;C#CCC(C#CC=C)C=O;PHOSWOMQWDHYTH-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380146;MM380146;C=CC(N)C(C#CC)CO;VUHPJGZNCUJAEF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380147;MM380147;C#CCC(C#N)C#CC=C;FXFUBRDDQKBRSB-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380148;MM380148;C#CC#CC(C)C(C)(C)O;KEVJGCHAPYUDDH-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380149;MM380149;C#CC#CC(C=C)CC#C;MUXLNITTYMGTHM-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380150;MM380150;C=CC(C)C(C#CC)NC;UXZBYAVMWLXPSN-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380151;MM380151;C#CC#CC(C=O)CC#C;FVXMCZCQWNTKRJ-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380152;MM380152;C=CC(N)C(C#CC)NC;CVVBUYXOWNBRPE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380153;MM380153;C#CC#CC(C#N)CC#C;SBPHVEQWIRXWAS-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380154;MM380154;CC#CC(OC)C(C)C#N;NMYSFNRFDPWTEW-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380155;MM380155;C#CC(C#CCC)CCC;XXSSTHAXIBTQJA-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380156;MM380156;C=CC(N)C(C#CC)OC;XPJJRPWGPOQMMB-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380157;MM380157;C#CC(C#CCN)CCC;ZDTAASNDRKXJNY-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380158;MM380158;CC#CC(CC)N(N)C=O;UJYMUACOBCUEBB-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380159;MM380159;C#CC(C#CCO)CCC;IWPNCSRDXUAFNM-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380160;MM380160;CCC(C)(O)CC#CC=O;XBFBPHXAFIPPFK-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380161;MM380161;C#CC(C#CCF)CCC;LFYQKIPMVWKYSW-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380162;MM380162;C=C1CC(CC)=CC1(C)O;HDJRCCWIJWFAFJ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380163;MM380163;C#CC(C#CCC)CCN;ZKCJVHVRVCIAFS-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380164;MM380164;C#CC(C)C(C#CC)CN;FWOYAGYIZDEXQA-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380165;MM380165;C#CC(C#CCC)CNC;WOGMDYQDLHWKNE-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380166;MM380166;C#CC(N)C(C#CC)CN;CEUXPORTLMTDJN-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380167;MM380167;C#CC(C#CCN)CNC;STOVVMMDWQKWFZ-UHFFFAOYSA-N;136.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380168;MM380168;C#CC(F)C(C#CC)CO;MHPZXTRMABJVOW-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380169;MM380169;C#CC(C#CCO)CNC;GCOMRFMDFFULSS-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380170;MM380170;C#CC(O)C(C#CC)OC;HXIFQFUOBTTZDP-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380171;MM380171;C#CC(C#CCF)CNC;NENGHHBPSVOBQR-UHFFFAOYSA-N;139.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380172;MM380172;C#CC(F)C(C#CC)OC;HXLNHCXUZGTRMV-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380173;MM380173;CC(=O)OCC(=O)N(C)N;YDPCNLZSBGOVJJ-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380174;MM380174;C#CC(C#CC=C)CCC;XROIDSJBDRBVHW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380175;MM380175;C=CC(C#CC)C(C)CF;FHSUPIDDVUVITN-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380176;MM380176;C#CC(C#CC=O)CCC;GMYTVBBGFJZVGU-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380177;MM380177;C#CC(C#CC#N)CCO;RIIVIUHMNVSRJC-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380178;MM380178;CC#CC(C=O)C(C)CF;ITLRIMZLKNYTLX-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380179;MM380179;C#CC(C#CC#N)COC;KGZIJWXAKJNQJR-UHFFFAOYSA-N;133.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380180;MM380180;C=CC(C#CC)C(N)CN;FKSNRJBXHSEVRX-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380181;MM380181;C#CC(C#CC=O)OCC;SMIIJAZRPRGYIF-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380182;MM380182;C=CC(C#CC)C(N)CF;QPWOEXMVSMBVID-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380183;MM380183;C#CC#CC(C#C)COC;KUJZUDPXRMVCST-UHFFFAOYSA-N;132.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380184;MM380184;CC(O)CC(C)C(C)CF;DEFHTKZOYQTAMP-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380185;MM380185;C#CC(C#CCN)CC=C;AFCPRYDKDFRTQQ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380186;MM380186;C=CC(C#CC)C(O)CF;UIJCFPQYVFKBHK-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380187;MM380187;C#CC(C#CCF)CC=C;RGGWHUZKGBGZKG-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380188;MM380188;C=CC(C#CC)C(C)NC;BHAKGSDWCWXIDP-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380189;MM380189;C#CC(C#CCC)CC#N;OWOMNCUKCAWZNI-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380190;MM380190;C=CC(C)C(C#CC)C=O;QTSWGXXKGVKBCD-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380191;MM380191;C#CC(C#CCF)CC=O;NMCRPZZGEVNEMK-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380192;MM380192;CC#CC(C=O)C(C)C#N;LNUVROZOSFEBOL-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380193;MM380193;C#CC(C#CCO)NC=N;VEPNVMVUGKDUFE-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380194;MM380194;CC#CC(C=O)C(O)C=O;FCLCGSTWQZQACG-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380195;MM380195;C#CC(C#CCC)NC=O;XPVBJZRYMNZDHV-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380196;MM380196;C#CC(C=CC)CC(C)O;LGMLCVNOHCFHLZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380197;MM380197;C#CC(C#CCF)NC=O;WIUKSRFJBVQXRH-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380198;MM380198;C#CC(C=CF)CC(C)O;HGOVVLQLWIOWLZ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380199;MM380199;C#CC(C#CCF)OC=C;GFVUDYPROALIIU-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380200;MM380200;C#CC(C#CC)C(N)CN;ZSEPWBPIEMYJMW-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380201;MM380201;C#CC(C#CCC)OC=O;YAHISCGSFUNKJO-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380202;MM380202;C#CC(C#CC)C(O)C#N;CLOUQRKLSYTQPI-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380203;MM380203;C#CC(C#CCF)ON=C;XGHOVXCKPWDSPK-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380204;MM380204;C#CC(C#CC)C(F)C=O;CAMUKBGKZDLGID-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380205;MM380205;C#CC(C#CC=O)CC=C;NAVZDYAFMCFDBQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380206;MM380206;C#CC(C#CC)N(C)C=N;MJCVBMMZJZJWKS-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380207;MM380207;C#CC(C#CC=C)CC#N;NJWNCBORSFZAFR-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380208;MM380208;C#CC(C#CC)N(C)C=O;FOBCHTZDPTVABB-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380209;MM380209;C#CC(C#CC=O)CC#N;RUZSTHBMGDBMRC-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380210;MM380210;C#CC(C#CC)N(N)C=O;MDCLHLDNUPWKTF-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380211;MM380211;C#CC(C#CC#N)CC#N;NXDZNOBTZHSBLX-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380212;MM380212;CC1=CC2(CO)CC1(C)C2;UAZWMWHSSXDVFX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380213;MM380213;C#CC(C#CC=C)NC=N;KKXHXIYXBCLKAM-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380214;MM380214;C#CC(C#CC)N(C)N=C;OOCOTTAMFXUKFW-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380215;MM380215;C#CC(C#CC=C)NC=O;KNZWUYBOFUUZOJ-UHFFFAOYSA-N;133.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380216;MM380216;C#CC(C)C(C#C)C#CC;NQJGEEXLUGLRQM-UHFFFAOYSA-N;130.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380217;MM380217;C#CC(C#CC#N)NC=O;BFWSBTWWJQLNNK-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380218;MM380218;C=C(CO)C(C#CC)CC;LZFKILCJYXALLO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380219;MM380219;C#CC(C(=C)C)C(C)O;CFKYDHOKVDVWRX-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380220;MM380220;C=C(CN)C(C#CC)CF;RXRWTVURISBNPO-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380221;MM380221;C#CC(C#CC=C)OC=C;GIQAHZOEKNEDOC-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380222;MM380222;CC#CC(CO)C(=N)NN;WQFOFUQYUZGZKQ-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380223;MM380223;C#CC(C#CC=O)OC=C;KZDRYDAFTWMKOY-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380224;MM380224;CC#CC(CF)C(=N)NN;LWSUQPSTCGKIGP-UHFFFAOYSA-N;143.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380225;MM380225;C#CC(C#CC#N)OC=C;RHSZWUDAUCFKTP-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380226;MM380226;C=NNC(=N)COCC=O;OUDZBHYAEHWTMU-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380227;MM380227;C#CC(C#CC=C)OC=O;NFQPSZYRZYKLNV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380228;MM380228;CC#CC(CC)C(=O)NO;PLRMNGFUTOCTGZ-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380229;MM380229;C#CC(C#CC#N)OC=O;YOFDJFRROAVTSL-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380230;MM380230;CC#CC(CO)C(=O)NC;KAWISUURECCNPW-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380231;MM380231;C=C(C)C1NC1C(C)=O;TXVMJTLKFANAGO-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380232;MM380232;CC#CC(CF)C(=O)NO;LWQAKSSIPVVPCH-UHFFFAOYSA-N;145.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380233;MM380233;C=Cc1[nH]c(N)cc1C;VEJPDUOIPAYIDE-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380234;MM380234;C=C(CN)C(C#CC)OC;DWFYIPMPDQXEDS-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380235;MM380235;C#Cc1c[nH]c(N)c1C;GAKWOALOFALTMF-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380236;MM380236;C=C(CF)C(C#CC)OC;PRYPWZWIVUEDBA-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380237;MM380237;C#CC#CC(C#C)CC#N;YZBABQLKWTYYPP-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380238;MM380238;CC#CC(OC)C(=O)CC;NZQVPKHVOAYHGM-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380239;MM380239;C#CC#CC(C#C)NC=N;YDVNEXKQLUXCIC-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380240;MM380240;CC#CC(OC)C(=O)CF;IKMYLWTUBGYFFE-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380241;MM380241;C#CC#CC(C#C)NC=O;DNQDNBYMXIKLAA-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380242;MM380242;C=C(OC)C(C#CC)OC;MXJYFYHIGYLREK-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380243;MM380243;CNc1c[nH]c(N=N)c1;BRDFJYXHRVYGJH-UHFFFAOYSA-N;124.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380244;MM380244;CC#CC(OC)C(=O)OC;DFHKSQCZVMOIGT-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380245;MM380245;C#CC#CC(C#C)OC=C;YJGXCWIURYLYHM-UHFFFAOYSA-N;130.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380246;MM380246;C=CC(=C)C(C#CC)CN;VKEDOXNRUGNNQK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380247;MM380247;C#CC#CC(C#C)OC=O;TUEPMHVSZNRLOS-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380248;MM380248;C=C(C#N)C(C#CC)CF;QSNZLKNHMYOKLT-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380249;MM380249;C=CCC(C)=CC(C)(C)O;GONYOPFICQDSED-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380250;MM380250;C=CC(=C)C(C#CC)NC;HMAIOBXHJROZNO-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380251;MM380251;C#CCC(C#C)C#CCC;MFLLNRLYJRTVIW-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380252;MM380252;CC#CC(OC)C(=O)C#N;IAHBJAPERNHEGN-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380253;MM380253;C#CCC(C#C)C#CCN;XNNNOHNLMQKONZ-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380254;MM380254;C#CC(=O)C(C#CC)OC;AAQZYHFUYFJAJH-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380255;MM380255;C#CCC(C#C)C#CCF;SMGBWBGWVIIPHY-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380256;MM380256;C=CC(C#CC)C(=C)CO;CVPAKCXPRYKKAJ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380257;MM380257;C#CCC(C#C)C#CC=C;OLYRFCYBKKRHRP-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380258;MM380258;C=CC(C#CC)C(=O)CO;SLBPJXHBKJDYJU-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380259;MM380259;C#CCC(C#C)C#CC=O;JEIFZSWUVLIALN-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380260;MM380260;C#CC(C#CC)C(=N)NC;QYCPVUQRFXQDLH-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380261;MM380261;C#CCC(C#C)C#CC#N;IQCZKXSCKRSBED-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380262;MM380262;C#CC(C#CC)C(=O)NC;GOWWIAXYXPGGID-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380263;MM380263;C#CC#CC(C#C)CC#C;JAOLFEYJOQNHLL-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380264;MM380264;C=CC(C=C)=C(C)C(C)O;YCTAKRGNSZXATN-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380265;MM380265;CC=CC(C#CCC)CC;APRDONKGSQAABG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380266;MM380266;CC=C(C)C(CN)CCN;XHCXRTSWWIYVHW-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380267;MM380267;CC=CC(C#CCN)CC;KTTRHNMUPINQPM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380268;MM380268;CC=C(C)C(CN)CCF;WCVUOAGNPPOYPR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380269;MM380269;CC=CC(C#CCO)CC;BFMHKTBGHIHFEW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380270;MM380270;CCCC(CN)C(C)=CF;MBUSPDRDDORXDH-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Na";;;;;;;2.83;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380271;MM380271;CC=CC(C#CCF)CC;YSXHKMDHESBXIF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380272;MM380272;CC(=CF)C(CN)CCN;PTCSPJGPUKFCHW-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380273;MM380273;CCC(C#CCN)C=CF;VVZVJKHAVIETFP-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380274;MM380274;CC=C(C)C(CO)CCN;SWLGJVROICDSKX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380275;MM380275;CCC(C#CCO)C=CF;BUGXSQLVBKXUFJ-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380276;MM380276;CC(=CF)C(CF)CCN;PXXDVKKHMCJOAH-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380277;MM380277;CC=CC(C#CCC)CN;BNFCMDWIUDQWGM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380278;MM380278;CC(=CF)C(CF)CCO;SCMGRDASKLAPFK-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380279;MM380279;CC=CC(C#CCN)CN;NPKMLAFOBRJLAD-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380280;MM380280;NCC(CCF)C(F)=CF;NSXLRRPNMJFWMD-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380281;MM380281;CC=CC(C#CCO)CN;OVCRWPBUNUIAMW-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380282;MM380282;NCCC(CF)C(F)=CF;MRCBMHRREKLOBO-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380283;MM380283;CC=CC(C#CCF)CN;FECRGQIZLPXPOH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380284;MM380284;CCC#CC(C=CF)CN;YNTQGKHFCNOJPN-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380285;MM380285;OCCC(CF)C(F)=CF;GWOHHVSPLLWORO-UHFFFAOYSA-N;154.13;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380286;MM380286;NCC#CC(C=CF)CN;QTYFJEJRIQNVBB-UHFFFAOYSA-N;142.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380287;MM380287;FC=C(F)C(CF)CCF;BDZKCSNRFUYXRA-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380288;MM380288;CC=CC(C#CCC)CO;UCTDDHUODFKXIS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380289;MM380289;CC=C(C)C(CN)CNC;OGVJHOFGOVXMRR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380290;MM380290;CC=CC(C#CCN)CF;CWMUHZNYPJKTIL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380291;MM380291;CC=C(C)C(CF)CNC;JONZHMNRYHWPPO-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380292;MM380292;CC=CC(C#CCO)CF;FVFUFMPPBTYLTE-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380293;MM380293;CNCC(CF)C(C)=CF;VQRVJUKGSCDOCL-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380294;MM380294;CC=CC(C#CCF)CF;DDTPOLPFERVIMO-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380295;MM380295;CNCC(CN)C(F)=CF;COWPVCCIOVPNRT-UHFFFAOYSA-N;150.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380296;MM380296;NCC#CC(C=CF)CF;SWVWWAPCCCHGFO-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380297;MM380297;CC=C(F)C(CF)CNC;KSLAFHFATMHILS-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380298;MM380298;OCC#CC(C=CF)CF;ZOXLBPUAHAEXJY-UHFFFAOYSA-N;146.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380299;MM380299;CCC(CCN)C(C)=NO;QWCBHGBVIMRQBJ-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380300;MM380300;CC=CC(C#CCC)NC;FJQJYCODLRHSSC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380301;MM380301;CCCC(CN)C(C)=NO;XHQIJWQTVASYJX-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380302;MM380302;CC=CC(C#CCN)NC;ZKWNSROWLJPYQM-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380303;MM380303;CC(=NO)C(CO)CCF;ZUKCHGJCKVFMTD-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380304;MM380304;CNC(C#CCN)C=CF;HYMLUIRIUWSYSB-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380305;MM380305;CC(=NO)C(CF)CCO;PFLWXZDNGDDYIX-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380306;MM380306;CCC#CC(C=NN)OC;ZHYGTGVQNYFIFX-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380307;MM380307;CCC(CNC)C(C)=NN;UEWGAURRPIBDMQ-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380308;MM380308;CC=CC(C#CC=O)CC;CYRJYSXDMPJSHH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380309;MM380309;CNCC(CO)C(C)=NN;FYAIHEKCJZLRSK-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380310;MM380310;CC=CC(C#CC#N)CC;KHUXEYMOWWAUGG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380311;MM380311;CC=C(C)C(CCC)NC;QGOVDTAWFIVJMZ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380312;MM380312;C=CC#CC(C=CC)CN;RJAHBEONQNJWME-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380313;MM380313;CC=C(C)C(CCF)NC;IEYDSHOMTRYACF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380314;MM380314;CC=CC(C#CC#N)CF;NNHBQWDTBMGPII-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380315;MM380315;CNC(CCN)C(C)=CF;SLSPZIVLXUBYAF-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380316;MM380316;C=CC#CC(C=CF)CF;IKCZYKDBNZXKKH-UHFFFAOYSA-N;142.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380317;MM380317;CNC(CCF)C(C)=CF;QBZOYVBEINNFSZ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380318;MM380318;N#CC#CC(C=CF)CF;MODZJPLVVCWDHQ-UHFFFAOYSA-N;141.12;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380319;MM380319;CNCC(NC)C(C)=CF;UWAPYNJZZCFRPZ-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380320;MM380320;C=CC#CC(C=NO)CC;HCUZBKBJPDATSC-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380321;MM380321;CCCC(NC)C(C)=NO;QTBCXABVOCPDJY-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380322;MM380322;C=CC#CC(C=NN)OC;OFOHUNXHLQZDSN-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380323;MM380323;CC=C(C)C(CN)NCC;ZLYDANBVLMYPSL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380324;MM380324;C#CC#CC(C=CC)CC;SSDVXCLLFGUEHS-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380325;MM380325;CCNC(CC)C(C)=NO;AOROTYVFEOVVJN-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380326;MM380326;C#CC#CC(C=CC)CN;GMXPOJOPYGWOGO-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380327;MM380327;CC=C(F)C(OC)OCC;PMFXZHXEMYEGAN-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380328;MM380328;C#CC#CC(C=CF)CN;UUQGGDMAMWZJKJ-UHFFFAOYSA-N;137.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380329;MM380329;CN=C(C)N(CCO)NC;OTPVNTVQRPPKCA-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380330;MM380330;C#CC#CC(C=CC)CO;ASPBBULPSWUELS-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380331;MM380331;CN=C(C)N(CCF)NC;GTPAWONUIFDXOB-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380332;MM380332;C#CC#CC(C=CC)CF;NEODIGPDLKTWQH-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380333;MM380333;CON(CCO)C(C)=NO;GUTNSZSWXQBESH-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380334;MM380334;C#CC#CC(C=NO)CC;LSHZMMIVJGUUPE-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380335;MM380335;C=CCC(CN)C(C)=CF;YZNYFMJGKOXGAH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380336;MM380336;CC(C#N)CCC(C)(C)O;NNWUUMJGYNDIKL-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380337;MM380337;CC=C(C)C(CF)CC=O;UELYLMBLCGWPRE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380338;MM380338;C#CC#CC(C=NN)OC;ACCKHEHQVBRFTH-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380339;MM380339;C=CCC(CN)C(F)=CC;AVUDAFUICZBFHI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380340;MM380340;C#CC=C(F)C(C#N)=NO;HHQDGAWYNMTVAI-UHFFFAOYSA-N;138.1;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380341;MM380341;CC(=NO)C(CO)CC#N;GETBOLNHRJXAON-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380342;MM380342;C=CC(C#CCC)C=CC;WJLMTSUETUFSKB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380343;MM380343;C=CCC(CF)C(C)=NN;ICMNNDMAENEMEB-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380344;MM380344;C=CC(C#CCN)C=CC;YFQVFAQXPGJFAF-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380345;MM380345;C=CCC(NC)C(C)=CC;RIIKDVNKXSPDEV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380346;MM380346;C=CC(C#CCN)C=CF;JGAHEIQPSZDPPK-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380347;MM380347;CC=C(C)C(CC=O)NC;MMXUGURHARKMAF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380348;MM380348;C=CC(C#CCO)C=CF;YHDXHRVGLKVRJR-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380349;MM380349;C=CCC(NC)C(C)=CF;BTJFODKNOAYRDL-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380350;MM380350;CC=CC(C#N)C#CCC;QUAPGJAZUVRZSA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380351;MM380351;CNC(CC=O)C(C)=CF;NPZIWBKSRBEANQ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380352;MM380352;CC=CC(C#CCO)C=O;NEZMIEOOJLPDNM-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380353;MM380353;CC=C(C)C(CN)NC=N;ODDRXXNTLNHDRK-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380354;MM380354;CC=CC(C#N)C#CCO;JHFJQLSKFLIZQT-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380355;MM380355;CC=C(C)C(CN)NC=O;UTCAXLVPPQZWNA-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380356;MM380356;CC=CC(C#CCF)C=O;PQJBIHGVTJHXLE-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380357;MM380357;CC=C(C)C(CF)NC=N;OQTBCFXWAVSZAX-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380358;MM380358;C=CC(C#CCC)C=NO;VFPSSRFJDXIKTI-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380359;MM380359;CC=C(C)C(CF)NC=O;YLECUCCKWHAUND-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380360;MM380360;O=CCOC(CO)C(=O)O;QCJRVRPSIFIOKI-UHFFFAOYSA-N;148.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380361;MM380361;CC(=CF)C(CF)NC=N;AOZFHFZJECPXEG-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380362;MM380362;C=CC(C#CC=O)C=CC;YPBPSKUWXFNKML-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380363;MM380363;N=CNC(CO)C(F)=CF;XKTSLTBTBPTJET-UHFFFAOYSA-N;150.13;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380364;MM380364;C=CC(C#CC#N)C=CC;KZHJKDJTQVIBSG-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380365;MM380365;C=NNC(CN)C(C)=CF;JRWIUGLCDDBISM-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380366;MM380366;C=CC#CC(C=C)C=CF;GNWWVVNZWATOHA-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380367;MM380367;C=CCC(=C)C1(C)CC1O;LQCFSWCDYYBIET-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380368;MM380368;C=CC#CC(C#N)C=CC;OEMZQYCOYQVMGQ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380369;MM380369;CCC(CO)C1CC1(C)C;WJLGFNBBJPAIPC-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380370;MM380370;CC=CC(C#N)C#CC=O;KDGXLVJQPXBDBJ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380371;MM380371;CCC(NC=N)C(C)=NO;AZOLXDFCIXFZRG-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380372;MM380372;CC=CC(C#N)C#CC#N;AYMRBRVHNDJSHK-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380373;MM380373;CCC(NC=O)C(C)=NO;AGESTUWSMZXBDE-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380374;MM380374;C=CC#CC(C=C)C=NN;BXOCDQIQBXGBRT-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380375;MM380375;CC1C(CO)CCC1(C)C;WQHVOGVXXHWNFQ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380376;MM380376;C#CC#CC(C=C)C=CC;ZOGQTZLWUHVTBJ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380377;MM380377;CC=C(F)C(CN)OC=O;JIUCOEBSVIAUIR-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380378;MM380378;C#CC#CC(C=C)C=CF;VQUPBKGIBXXCNO-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380379;MM380379;C=COC(CO)C(F)=CF;ODDRTALLBALESX-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380380;MM380380;C#CC#CC(C#N)C=CC;GJYODAYSQQZJGG-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380381;MM380381;C=NOC(CN)C(C)=CC;HNMLEXXEIHWEDL-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380382;MM380382;C#CC#CC(C=C)C=NN;ZOAAZTFGDKFNME-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380383;MM380383;C=C1C(CC)C=CC1(C)O;JPLQFLIRSHJBPN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380384;MM380384;CN(C)n1oc(O)nc1=O;ROSHONOJFMONOZ-UHFFFAOYSA-N;145.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380385;MM380385;C#CC(C)NN=C(C)C=O;LQONXRYOSBMLMT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380386;MM380386;C#CC(C#CCC)C=CC;UWZNNMXEJZLLHQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380387;MM380387;C=NOC(OC)C(F)=CF;RQQLQRKKBRBUJB-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380388;MM380388;C#CC(C#CCN)C=CC;WNBRCZVGWHVXPQ-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380389;MM380389;C#CC(=O)C1NC1(C)C#N;GNSCBTFJHLBWPN-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380390;MM380390;C#CC(C#CCO)C=CC;WSJQTDQYOFGWOF-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380391;MM380391;C=CCN(OC)C(C)=NO;VCVQFKVSVKMMJH-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380392;MM380392;C#CC(C#CCF)C=CC;VHHHAXMKIHOGEB-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380393;MM380393;CCN(OC=O)C(C)=NO;CPBQSRXJDMFYSG-UHFFFAOYSA-N;146.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380394;MM380394;C#CC(C#CCC)C=NN;UVDCHQSOMHKRIJ-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380395;MM380395;C#CCC(CN)C(C)=CF;CUEDOVVHMHLRSE-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380396;MM380396;C#CC(C#CC=O)C=CC;OJDOMDRWSDMHNH-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380397;MM380397;C#CCC(CF)C(F)=CC;YHRNHQAYBXOJCG-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380398;MM380398;C#CC(C#CC#N)C=CC;IDOODCYLATXORJ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380399;MM380399;C#CCC(CC)C(C)=NO;WHAJOFCRBJPFPV-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380400;MM380400;C#CC#CC(C#C)C=CC;QXQNCWGDYMKPQV-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380401;MM380401;C#CCC(NC)C(C)=CF;TYCBEAOCWNGOFJ-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380402;MM380402;C#CC#CC(C#C)C=NN;WHCFXNISNDILEM-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380403;MM380403;C=CC(CCN)C(C)=CF;CQICVFSDJGFNLS-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380404;MM380404;CC#CC(C#CCC)CC;BYZZUSLBYYPMGR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380405;MM380405;C=CC(CCF)C(C)=CF;QIKXUDASZCFPPT-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380406;MM380406;CC#CC(C#CCN)CC;NSHJJVACKPAOOZ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380407;MM380407;CC=C(C)C(C=O)CCC;XQOQJLIGVMWVGZ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380408;MM380408;CC#CC(C#CCO)CC;SFKXXAOYCMXRHN-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380409;MM380409;CC=C(C)C(C=O)CCO;IRVJIYDOFWFQRB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380410;MM380410;CC#CC(C#CCF)CC;FSCHPLVLAKNCTD-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380411;MM380411;CC=C(C)C(C#N)CCO;VBVSQXZIDCGJKF-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380412;MM380412;CC#CC(C#CCC)CN;JWKPMAHSVXWPLQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380413;MM380413;CC=C(C)C(C=O)CCF;LJAQBUCOOSXXCW-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380414;MM380414;CC#CC(C#CCF)CN;MVUXEBOXMNHJIS-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380415;MM380415;CC=C(C)C(C#N)CCF;KKNUKTOHFGJDMW-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380416;MM380416;CC#CC(C#CCN)CO;QHMGVIJRRSXKCO-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380417;MM380417;CCCC(C=O)C(C)=CF;YEPHSRDPGSVJOJ-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380418;MM380418;CC#CC(C#CCF)CO;QKXIKMXDCCDMDW-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380419;MM380419;CC(=CF)C(C#N)CCO;NNIFNPRWHHXXEE-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380420;MM380420;CC#CC(C#CCN)OC;JXXUCIBRYZYTKZ-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380421;MM380421;CC(=CF)C(C=O)CCF;OCLKJAANUXEINE-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380422;MM380422;CC#CC(C#CCO)OC;FKNPQSWBDMERAO-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380423;MM380423;C=CC(CCN)C(F)=CC;XVJHGWRTLXYLPU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380424;MM380424;CC#CC(C#CCF)OC;CNXIHZLEBKXGRZ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380425;MM380425;C=CC(CCO)C(F)=CC;HVERABADNCROQH-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380426;MM380426;C=CC#CC(C#CC)CC;WGDYPYCFLNDWLL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380427;MM380427;C=CC(CCF)C(F)=CC;JKOUKVMIWQUFSW-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380428;MM380428;CC#CC(C#CC=O)CC;WQBQTNIHMDFPRT-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380429;MM380429;C=CC(CCF)C(F)=CF;HVSQSYBNNWOYRK-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380430;MM380430;CC#CC(C#CC#N)CC;GGFYEMSKUOMKBX-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380431;MM380431;CC=C(F)C(C=O)CCC;LUZIPCALZWNFSR-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380432;MM380432;C=CC#CC(C#CC)CN;CMSPQIIOWRCIRU-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380433;MM380433;CC=C(F)C(C=O)CCF;RZLYMUGIMVSQBC-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380434;MM380434;CC#CC(C#CC=O)CO;CJVTYTQDZZTKDP-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380435;MM380435;CCCC(C=O)C(F)=CF;MLYPVZSPNPATGO-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380436;MM380436;CC#CC(C#CC#N)CO;WBCDXVMFHNLOHJ-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380437;MM380437;O=CC(CCO)C(F)=CF;BSNWTLQKACQCRK-UHFFFAOYSA-N;150.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380438;MM380438;C=CC#CC(C#CC)OC;QTAUYYNVKXLWPI-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380439;MM380439;C=CC(CNC)C(C)=CC;BHBRUKDKKFWCLD-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380440;MM380440;CC#CC(C#CC=O)OC;IGKAUGSMPBWYTP-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380441;MM380441;CC=C(C)C(C=O)CNC;NUWWZMDWDFZGNE-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380442;MM380442;CC#CC(C#CC#N)OC;BTGCBGDERYOIOZ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380443;MM380443;C=CC(CNC)C(F)=CC;ALFLBLUNADGXAG-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380444;MM380444;C#CC#CC(C#CC)CC;ZWURABCNFJWVOX-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380445;MM380445;CC=C(F)C(C=O)CNC;UJYLTVNWOOKPRU-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380446;MM380446;C#CC#CC(C#CC)CN;XZLMKUPEKWXJJG-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380447;MM380447;CC=C(C)C(C=O)COC;WLGFOTJGQQQTFU-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380448;MM380448;C=CC(C#CC)C#CCC;GXEXSSDTKJRJGX-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380449;MM380449;CC=C(F)C(C=O)COC;YUZFHALFIMBPIM-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380450;MM380450;C=CC(C#CC)C#CCN;LSEGEZIDGQJORC-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380451;MM380451;COCC(C#N)C(F)=CF;CWSORCQJHVZOIV-UHFFFAOYSA-N;147.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380452;MM380452;C=CC(C#CC)C#CCO;AEZYXAAFKVHQES-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380453;MM380453;C=CC(CCC)C(C)=NN;UIFLTKDYBJCQLJ-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380454;MM380454;C=CC(C#CC)C#CCF;SCHLYQXABGAMEB-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380455;MM380455;C=CC1(O)C=CC(CC)C1;OCMTYQIGYNVDLE-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380456;MM380456;CC#CC(C#CCC)C=O;AIRJGBWLTYXPDJ-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380457;MM380457;CCCC(C=O)C(C)=NO;UMSKLVOETWSRNY-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380458;MM380458;CC#CC(C#CCO)C=O;VBRCMYQYTVRHDU-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380459;MM380459;C=CC(NCC)C(C)=CC;FVVPHVSIKXRMPW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380460;MM380460;CC#CC(C#CCF)C=O;MCWRCNQAVSDYET-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380461;MM380461;C=CC(NCC)C(C)=CF;VJTUWPSOUYEBJP-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380462;MM380462;C=CC#CC(C#CC)C=C;HDUQSDMKBWIZFQ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380463;MM380463;CCNC(C#N)C(F)=CF;QHFOHTIDLRRLSV-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380464;MM380464;C=CC(C#CC)C#CC=O;IVWGNUDZBSNBJR-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380465;MM380465;CC=C(C)N(C=N)CCC;STSJPCCTPVHVLI-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380466;MM380466;C=CC(C#CC)C#CC#N;WQYWVTCEZILCKQ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380467;MM380467;CC=C(C)N(C=O)CCN;KMNUADAIVWJAKG-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380468;MM380468;CC#CC(C#CC=O)C=O;VBPWBNLHYXNLPQ-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380469;MM380469;CN=C(C)N(C=N)CCO;ATNMQZWLGLPEKO-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380470;MM380470;CC#CC(C#N)C#CC#N;AQOFOWRJRHYIQQ-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_N0";;;;;;;1.47;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380471;MM380471;CC1(CO)CC=C(C#N)C1;MYXBNXCSISPPRS-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380472;MM380472;C#CC#CC(C#CC)C=C;XZNJGJVIFXHFML-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380473;MM380473;C=CC1(O)C=C(CC)CC1;UOQMPEBBXRLKMS-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380474;MM380474;C#CC(C#CC)C#CCC;NXBFEBWSFVEKSA-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380475;MM380475;C#CC(=C)CCC1(O)CC1;IKEFINMYOTZPKD-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380476;MM380476;C#CC(C#CC)C#CCN;GICWSDUYXPALNS-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380477;MM380477;C#CC(C#CC)C#CCO;CVPFGBANBOHBBE-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380478;MM380478;C=CC(CC=O)C(C)=CC;ZBBZRVGTALMFJQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380479;MM380479;C#CC(C#CC)C#CCF;JXVMDENAJOAZGT-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380480;MM380480;C=CC(CC=O)C(C)=CF;LSAVMEYSHMOVEB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380481;MM380481;C#CC(C#CC)C#CC=C;CIVQWZXYVJUSIX-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380482;MM380482;C=CCC(C=O)C(C)=CC;NXCROJKSTPFBTA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380483;MM380483;C#CC(C#CC)C#CC=O;KARPNYWNSWUUQF-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380484;MM380484;CC=C(C)C(C#N)CC=O;NCVAMMJZALSGIY-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380485;MM380485;C#CC#CC(C#C)C#CC;MASXSMYMEWJDCI-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380486;MM380486;CC=C(C)C(C#N)CC#N;QAZPIWFXUOGDGJ-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380487;MM380487;CC=C(C#CCC)CCC;HYWQIAMNQSKAAD-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380488;MM380488;CC(=CF)C(C=O)CC=O;ICSFBJJYFNTVMB-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380489;MM380489;CC=C(C#CCN)CCC;RIPDBXBLMIGBMG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380490;MM380490;CC(=CF)C(C#N)CC=O;MIVMUZIELCKOID-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380491;MM380491;CC=C(C#CCO)CCC;OWBRMUMPUZCUJN-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380492;MM380492;C=CC(CC=O)C(F)=CC;UVIAMNOIIUFPKC-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380493;MM380493;CC=C(C#CCF)CCC;GCXJSHWMYIZCNI-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380494;MM380494;C=CCC(C=C)C(F)=CF;OMQKVXKKTCVPJA-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380495;MM380495;CC=C(C#CCO)CCN;UYMFYEXOBOZUNV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380496;MM380496;C=CC(CC=O)C(F)=CF;MJAPSSOOZIVXRJ-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380497;MM380497;CC=C(C#CCC)CCO;MYRLINFSMVFLJL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380498;MM380498;C=CCC(C=O)C(F)=CC;PIDXDTXDGQCIMG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380499;MM380499;CC=C(C#CCN)CCO;DBNAWGBLWRGEJD-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380500;MM380500;C=CCC(C=O)C(F)=CF;VGVYRAXHXFWJNE-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380501;MM380501;CC=C(C#CCN)CCF;PAVRFVIWFJILLI-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380502;MM380502;C=CCC(C=C)C(C)=NN;KOIFLBNPUUBZAY-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380503;MM380503;CCCC(C#CCO)=CF;GOSRQBGTHSVMID-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380504;MM380504;CC(=NO)C(C=O)CC=O;ZLURYUVITXVMPA-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380505;MM380505;CCC#CC(=CF)CCN;HYUQJNATMNKVKO-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380506;MM380506;N=CNC(C=O)C(F)=CF;LBPXMQKSAIWBGB-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380507;MM380507;NCC#CC(=CF)CCN;SPUFMTSNIWHQDF-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380508;MM380508;C#CC1(C#N)CC(C=O)N1;WKMIZROPDGMPSS-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380509;MM380509;NCCC(C#CCF)=CF;WDOHRCBTVSTTGO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380510;MM380510;C=CC(NC=N)C(C)=NO;GUZXBDGHPLLYBN-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380511;MM380511;OCC#CC(=CF)CCO;ZBLBEWXAONBKBL-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380512;MM380512;O=COC(C=O)C(F)=CF;KUEFALJPHWMVSG-UHFFFAOYSA-N;150.08;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380513;MM380513;NCC#CC(=CF)CCF;ZIVZWBHMJBLLGL-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380514;MM380514;C=CC(=C)CC1(CO)CC1;RAHZNACXEBPZGC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380515;MM380515;OCC#CC(=CF)CCF;PLDIRWGIWPGBOY-UHFFFAOYSA-N;146.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380516;MM380516;C=NOC(C#N)C(F)=CF;TYYAUZMJWPVBEH-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380517;MM380517;CC=C(C#CCO)CNC;SAEUQIIJJFEEOD-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380518;MM380518;CC=C(C)N(C=O)CC=O;WZQPJXVGLBLIEE-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380519;MM380519;CNCC(C#CCN)=CF;JICUCVNLKXRYPT-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380520;MM380520;C=CCN(C=N)C(C)=NC;VSEVUNCCFCQBPQ-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380521;MM380521;COCC(C#CCN)=CF;GSGGETSWNMMHIF-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380522;MM380522;C=CCN(C=O)C(C)=NC;OFEYZPJUMJXTJI-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380523;MM380523;CCC#CC(C)(C)C(C)O;KZNUHDCDIFQDFE-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380524;MM380524;CN=C(C)N(C=O)CC#N;PZHHTOSWGZGYLQ-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380525;MM380525;CCCC(C#CCF)=NN;OSLGFVPBRKRFBF-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380526;MM380526;CC(=NO)N(C=O)CC#N;SJNNURAQTNHJBZ-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380527;MM380527;C=C(F)CON=CC(C)=O;LCQLQAKMRSNJQA-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380528;MM380528;C=C(C=O)CC1(CO)CC1;USWSQCSYBQUZNU-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380529;MM380529;CC#CC=CC(C)(O)CC;HSYRCMZMVISGOQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380530;MM380530;CC(=NO)N(C=N)NC=N;NUADSKVCMNKLOJ-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380531;MM380531;NN=C(C#CCF)CCF;PXPOCTOOKCHUEH-UHFFFAOYSA-N;146.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380532;MM380532;CNN=CN(C=NN)OC;JJESAIYFZXSBJJ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380533;MM380533;NCCC(C#CCO)=NO;GQEMKVYGVPWJEE-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380534;MM380534;CC(=NO)N(C=O)NC=N;VKXYGSVANMUNJF-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380535;MM380535;NCCC(C#CCF)=NO;ADOZRUAWBZXZJG-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380536;MM380536;CC(=NO)N(C=O)NC=O;MMTZNESXAASIJR-UHFFFAOYSA-N;145.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380537;MM380537;OCC#CC(CCO)=NO;LDEKSPUDTUOBJB-UHFFFAOYSA-N;143.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380538;MM380538;CN=C(C)N(C=N)OC=O;FGTIBHCVIMMZGL-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380539;MM380539;OCCC(C#CCF)=NO;QLRDWMPFUIFNJU-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380540;MM380540;CC(=NO)N(C=N)OC=O;ZXFYDPMJXNDDGU-UHFFFAOYSA-N;145.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380541;MM380541;OCC#CC(CCF)=NO;KHVYICLENICSBM-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380542;MM380542;CC(=NO)N(C=O)OC=O;BULSDJGAUXADAC-UHFFFAOYSA-N;146.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380543;MM380543;CCC#CC(COC)=NN;YBDUHSIBCUTTDZ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380544;MM380544;C#CCC(C=C)C(C)=CF;VAMGWTVBUHFOKL-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380545;MM380545;C=CC(C)(O)C(=C)C=CC;JWQVVYPHHKLIDZ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380546;MM380546;C#CCC(C=O)C(C)=CC;KPNYOHJNWNDACZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380547;MM380547;CC(=O)C(C)=NNC(C)C;RUGCOPUILQSNQX-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380548;MM380548;C#CCC(C=C)C(F)=CC;DXLTZZQMYCVZGO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380549;MM380549;CCC#CC(=NOC)NC;ZWOSOVMXGHGXOF-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380550;MM380550;C#CCC(C=C)C(C)=NO;HTVNEULGUNWTLF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380551;MM380551;C=C(CC#N)CC(O)CC;KKERRMXFBWKBLR-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380552;MM380552;C=NN(C=NN)C=NNC;GDKPVJTZJUFHSD-UHFFFAOYSA-N;142.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380553;MM380553;C#CC1=CC(C)(O)CC1C;DDVGSHSKIAOSMS-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380554;MM380554;C#CCN(N=C)C(C)=NC;VCAHEWFQINLPKZ-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380555;MM380555;C#CC12C=C(C)C(O)(C1)C2;XOOMYVPKDCVWQE-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380556;MM380556;CCNN=C(C#N)NCC;PQVOZAQUEGKRPC-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380557;MM380557;C#CCC=CC(O)C(C)C;LTRQDZJJIVLNLL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380558;MM380558;C#CCN(N=C)C(C)=NO;IVLQQNKCCHDBOA-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380559;MM380559;CCCNN=C(C)C(C)=O;VNINPURPFSGDGQ-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380560;MM380560;C#CC(CCF)C(C)=CC;UXWKMNZPOOQAOC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380561;MM380561;CCOC(C#CCO)=NO;AFVVZRFYRDLVFP-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380562;MM380562;C#CC(CCN)C(C)=CF;PBHULPRMHSTFKA-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380563;MM380563;CCOC(C#CCF)=NO;VBGJNMVBQKZGSC-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380564;MM380564;C#CC(CCF)C(F)=CC;SEZIVZLOPNKUAK-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380565;MM380565;C=CC#CC(=CC)CCC;XZGSOAWIFPIOAJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380566;MM380566;C#CC(CNC)C(C)=CF;LZFCWCFNUAGILF-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380567;MM380567;CC=C(C#CC=O)CCC;RXIDOSJVGDUQLZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380568;MM380568;C#CC(CNC)C(F)=CC;IHZLFLGBXSDHIP-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380569;MM380569;CC=C(C#CC#N)CCC;MKDQKGHMSDBUAA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380570;MM380570;C#CC(CCC)C(C)=NN;NWOVYDIBTHVIPS-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380571;MM380571;C=CC#CC(=CC)CCN;IPMJRPFBMFZHDP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380572;MM380572;C#CC(CC=O)C(C)=CC;PZYPGMAPYGWJLB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380573;MM380573;CC=C(C#CC#N)CCF;GACZPCIKZBHGAF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380574;MM380574;C#CC(CC=C)C(C)=CF;PBSRYHAJSSWXBO-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380575;MM380575;CCCC(C#CC#N)=CF;NFDZCTKQQRYXOV-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380576;MM380576;C#CC(CC=O)C(F)=CC;OESFILGIZGPTCE-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380577;MM380577;N#CC#CC(=CF)CCF;KZYLWQTUHNWSJO-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380578;MM380578;C#CC(CC=C)C(F)=CF;GNNXOSPDVSAXGS-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380579;MM380579;CC=C(C#CC#N)CNC;LVCYRQOJBGFFJT-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380580;MM380580;C#CC(CC=C)C(C)=NN;MLFVRGMDPFOERF-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380581;MM380581;C=CC#CC(=CF)CNC;WZWGWMHFPODTJK-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380582;MM380582;C#CC(CC=C)C(C)=NO;OICLAYWHDLQIJK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380583;MM380583;CCCC1CC(C(C)O)C1;ZWNHNNNSTKFXTK-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380584;MM380584;C#CC(CC=O)C(C)=NO;IDXXOFLADMLJGN-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380585;MM380585;C=CCC1CC(C(C)O)C1;UDEOJNAUOSXPMR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380586;MM380586;C#CC(CC#N)C(C)=NO;MBLUPRFTZYDFKF-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380587;MM380587;CNC(C#CC#N)=NOC;OYVSEBZJNUNWTF-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380588;MM380588;C#CC(NC=O)C(C)=CF;XKSQIELAVGOHTL-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380589;MM380589;CC(O)C1CC(CC#N)C1;LQTMTEXZKRHJJB-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380590;MM380590;C#CC(NC=O)C(F)=CC;GRWXZADYCAZRMA-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380591;MM380591;C=CC#CC(=NO)OCC;XLBMLSGBEXEAKG-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380592;MM380592;C=CCNC(C=O)=NNC;XWFSKSYODSBTGS-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380593;MM380593;C#CC#CC(=CC)CCC;NJTKGTGNTKRUAC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380594;MM380594;C#CCC(C#C)C(C)=NN;SYFCURMDVLSAFQ-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380595;MM380595;C#CC#CC(=CC)CCN;BLLKDRHKNKWXLC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380596;MM380596;CC=CC(CF)C(C)=CF;LZWNFRQMSBIGFI-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380597;MM380597;C#CC#CC(=CF)CCC;HSSDOTQCVYRAGS-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380598;MM380598;CC(=CF)C(C=CF)CF;OCSDONLQSAZPFS-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380599;MM380599;C#CC#CC(=CC)CNC;LPKWGJZOIQNWGC-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380600;MM380600;CC=C(F)C(C=CF)CN;ABWCBRJCPLZUHV-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380601;MM380601;C#CC#CC(=CF)CNC;RZZCVNPXJSGTEN-UHFFFAOYSA-N;137.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380602;MM380602;CCC(C=NN)C(C)=CF;UEHIYMMZHSBEDJ-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380603;MM380603;C#CC#CC(=CC)COC;WTHWHUSMEBETJK-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380604;MM380604;CC=C(C)C(C=NO)CN;NXKZSLMRHLTVND-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380605;MM380605;C#CC#CC(CCF)=NN;JLLVTKXBBSWTHV-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380606;MM380606;CC=CC(NC)C(C)=CC;BRDZFXIFBCAWDB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380607;MM380607;C#CC#CC(CCC)=NO;SXJDSPIKHAMGJX-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380608;MM380608;CC=C(C)C(C=CF)NC;GPERVWMOYALEKV-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380609;MM380609;C#CC#CC(COC)=NN;OTMWAUQVYXYUFQ-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380610;MM380610;CC=CC(NC)C(C)=CF;MOIYGCYCIBBYOR-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380611;MM380611;C#CCC1CC(C(C)O)C1;UAJRLXSNJXWYQF-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380612;MM380612;Nc1nn(O)c(F)c1O;LBFLBADJVFOJRF-UHFFFAOYSA-N;133.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380613;MM380613;CC(C)C1CC(C(C)O)C1;LBAKWKDASXJOIJ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380614;MM380614;COC(C=NN)C(C)=NN;PHOUDZHTQQUPEV-UHFFFAOYSA-N;144.18;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380615;MM380615;C#CC#CC(=NOC)NC;YPTLIONDPVMIKS-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380616;MM380616;CC=C(C)N(C=NC)NC;JIYNFQVMFWJUJV-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380617;MM380617;CC(O)C1CC(C(C)O)C1;BZJHCKWTEBGLCT-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380618;MM380618;CC=C(C)N(C=NO)OC;SZVJMKOVGIGEHI-UHFFFAOYSA-N;144.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380619;MM380619;C=CCC(C#CCC)=CC;HUUGLOWKTNYUIM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380620;MM380620;CON(C=CF)C(C)=NO;UUGYKAUSRIPSJF-UHFFFAOYSA-N;148.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380621;MM380621;C=CCC(C#CCN)=CC;YGXYFYRBNSAQFD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380622;MM380622;CC=CC(C=O)C(C)=CC;TYECZNNDPWOJOZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380623;MM380623;C=CCC(C#CCO)=CC;JESUZYVRDPAJPY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380624;MM380624;CC=CC(C=O)C(C)=CF;RPMJQZZCFSCEBQ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380625;MM380625;C=CCC(C#CCF)=CC;IUYYZXNAOVEIHG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380626;MM380626;CC=CC(C=O)C(F)=CC;ZDPUTMSHODGVRY-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380627;MM380627;CC=C(C#CCC)CC#N;UHPJTGRHGQPNQA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380628;MM380628;CC=C(C)C(C=O)C=NO;KXYSFBMHCBSVAJ-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380629;MM380629;CC=C(C#CCO)CC=O;BFXMDLRYYGTLOG-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380630;MM380630;C=CC(C=CC)C(C)=NN;DVNFXGZOKBYXES-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380631;MM380631;CC=C(C#CCO)CC#N;ZAFJVTCNZJWPII-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380632;MM380632;C=CC(C=CF)C(C)=NN;SSCRMCRUNVSWAR-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380633;MM380633;CC=C(C#CCF)CC=O;WCTJKNQMLNLVAO-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380634;MM380634;CC=CC(C=O)C(C)=NO;OTBMPVSPEKHOCC-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380635;MM380635;CC=C(C#CCF)CC#N;IYRMXFMNHSLSCY-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380636;MM380636;C=CC(C=NN)C(C)=NN;NIISDKZFORBIOM-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380637;MM380637;C=CCC(C#CCN)=CF;CBEUPJMHQIJVEY-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380638;MM380638;CC=C(C)N(C=O)C=NC;LWNGXDSSFGTMRS-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380639;MM380639;C=CCC(C#CCO)=CF;GFYPUMGTJJUMIB-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380640;MM380640;CC=C(C)N(C=O)C=NO;GSDMMWCWFIABBX-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380641;MM380641;C=CCC(C#CCF)=CF;SKLXZRMWLMGRBA-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380642;MM380642;CN=CN(C=O)C(C)=CF;XNGNINXOXNFKJG-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380643;MM380643;CCC#CC(=CF)CC=O;DKQKTIDJVHMQHL-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380644;MM380644;C=NNCC(C=O)N(C)C;QHKQUEBVJAXAKB-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380645;MM380645;CCC#CC(=CF)CC#N;ISXNVORTLOBDPI-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380646;MM380646;CC=CN(C=O)C(C)=NO;YPWUDIMPYOCFRF-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380647;MM380647;O=CCC(C#CCF)=CF;IVSCDKWZCXFPQP-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380648;MM380648;CC(=NO)N(C=O)C=CF;NPOMUNOYZWKRDV-UHFFFAOYSA-N;146.12;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380649;MM380649;C=CCC(C#CCC)=NN;QTFKHCIMDXPNMW-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380650;MM380650;C#CC1=CC(C)C(O)C1=C;SZVXNOSCIQVZJM-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380651;MM380651;C=CCC(C#CCF)=NN;PZHNIFRSIGSBFP-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380652;MM380652;CC=CC#CC(C#N)NC;XAOLATXGOZZNNU-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380653;MM380653;C=CCC(C#CCF)=NO;XVKZWIRRDYZRQD-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380654;MM380654;C#CC(C#N)C(C)=NOC;MVDJGQKFFGNXRW-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380655;MM380655;CCC#CC(CC=O)=NO;AHOUJZOFOIFWOA-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380656;MM380656;C=C1CC(CC)CCC1O;IBJHUOJLDJKADR-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380657;MM380657;CC=C(C#CCO)NC=N;GQYJSFNCASZBRX-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380658;MM380658;C=C1CC(CF)CCC1O;OAYTXYDEIZAVHN-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380659;MM380659;CC=C(C#CCO)NC=O;NUSSRULJTRIROS-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380660;MM380660;C=C1C=C(C=O)CCC1O;GJNSYOJWIKFAEB-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380661;MM380661;C=CNC(C#CCN)=NC;VRIQIXMLCRLJTJ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380662;MM380662;CC(=NO)N(C=N)C=NO;PVQNBNCJDVVKSD-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380663;MM380663;C=CNC(C#CCF)=NC;PNOJGSZVAUKCGB-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380664;MM380664;CN=CN(C=O)C(C)=NO;CXPHDFNQKPRULN-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380665;MM380665;CN=C(C#CCN)NC=N;IKZRNRRTGIDBQO-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380666;MM380666;CC(=NO)N(C=O)C=NO;JJWBIUTZKLZABL-UHFFFAOYSA-N;145.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380667;MM380667;NN=C(C#CCF)NC=O;QBWYVJDKPQIMCG-UHFFFAOYSA-N;143.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380668;MM380668;C=NN(C=NO)C(C)=CC;IWBHIFYYUBRWPP-UHFFFAOYSA-N;141.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380669;MM380669;O=CNC(C#CCO)=NO;YIVCIKCNXDHPIK-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380670;MM380670;C=NN(C=CF)C(C)=NC;NIOXFANDOKYPFS-UHFFFAOYSA-N;143.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380671;MM380671;O=CNC(C#CCF)=NO;UDWIQTZZXONVRK-UHFFFAOYSA-N;144.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380672;MM380672;C=NN(C=NC)C(C)=NC;PAGBBTFMKFTDNT-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380673;MM380673;C=COC(C#CCO)=CC;JGMXNMZWLYTZRK-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380674;MM380674;C=NN(C=NN)C(C)=NO;VYOHVWABKJKEFN-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380675;MM380675;C=COC(C#CCF)=CC;KNAJKMKGLHFOBU-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380676;MM380676;CC=NN(C=N)C(C)=NC;XYQXAMPTXYDVRQ-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380677;MM380677;C=COC(C#CCN)=CF;MWTFQNJAIKNNND-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380678;MM380678;CC=NN(C=O)C(C)=NC;SOLPHLGOZPDXOP-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380679;MM380679;C=COC(C#CCF)=CF;XSXUNZCZJDYECD-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380680;MM380680;CC=NN(C=O)C(C)=NO;ANWAHIKNAIQWNG-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380681;MM380681;C#CCCC(O)(C=C)C=C;ZFMDCPUKCWAFPI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380682;MM380682;C#CC(C=CC)C(C)=CF;NQYHWVJOUKFWRV-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380683;MM380683;C=CC(C)C1CC1(O)C=C;GVAOFRMBVMEJHR-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380684;MM380684;C#CC(C=CF)C(C)=CF;QNAMIRCBAUCDFG-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380685;MM380685;CCC(=O)C1NC1(C)C#N;HQDUEZISJMSFBI-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380686;MM380686;C#CC(C=NN)C(C)=CC;LKKYQVLGDGGAPL-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380687;MM380687;C=COC(C#CCC)=NO;CMQHUAWEPBTRLY-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380688;MM380688;C#CC(C=NO)C(C)=CC;RKOPXMAGHJLEOR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380689;MM380689;CCC#CC(=NO)OC=O;RKAKIJRTYABQSI-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380690;MM380690;C#CC(C=NN)C(C)=CF;ROMFRSURMWGQND-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380691;MM380691;CCC1(C)C=CC(O)C1C;MBYSXJVIMVSSCY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380692;MM380692;C#CC(C=CC)C(C)=NN;GOMGGNKYKMXXCM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380693;MM380693;C=CC#CC(=CC)CC=C;LURGTDMDQHCOPO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380694;MM380694;C#CC(C=CF)C(C)=NO;WFPGQZWFZNMCEO-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380695;MM380695;C=CCC(C#CC=O)=CC;FFCFMQVUBMXJMN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380696;MM380696;C#CC(C=NN)C(C)=NO;UEAOVBOMMBLCEC-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380697;MM380697;C=CCC(C#CC#N)=CC;WSWGDZVVGKLKPJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380698;MM380698;CC#CC(CN)C(C)=CC;JRTKTVFFIUTJGM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380699;MM380699;C=CC#CC(=CC)CC=O;SRRMCROPKSKMIT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380700;MM380700;CC#CC(CN)C(F)=CC;XHLCGSYNAXFVHK-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380701;MM380701;C=CC#CC(=CC)CC#N;TWFIJUFNWYFYQT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380702;MM380702;CC#CC(CN)C(F)=CF;VEGPRVPFLNGIBK-UHFFFAOYSA-N;145.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380703;MM380703;CC=C(C#CC=O)CC#N;RAZMKECEIMXHEL-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380704;MM380704;CC#CC(CC)C(C)=NN;MPEFVVMOFJSTKQ-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380705;MM380705;CC=C(C#CC#N)CC=O;YIXPQFYAWDSTQV-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380706;MM380706;CC#CC1CC(OC)=NN1;LCUQUBGUZNLGPG-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380707;MM380707;CC=C(C#CC#N)CC#N;PLPQRHFARDMNCM-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380708;MM380708;CC#CC(NC)C(C)=CC;FAYKBCDWESDRDZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380709;MM380709;C=CC#CC(=CF)CC=C;PBJUKAMLVLNJRZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380710;MM380710;C=CC(C#CC)C(C)=NN;PFNKBERYABFIDK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380711;MM380711;C=CCC(C#CC=O)=CF;LMRABBMQJLPXNO-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380712;MM380712;CC=C(CCO)C(C)CN;OATFJYWBYGTZLX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380713;MM380713;C=CCC(C#CC#N)=CF;RBCPOUFVRJJWNT-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380714;MM380714;CCCC(=CF)C(C)CN;XOCDXXVHUKRCEF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380715;MM380715;C=CC#CC(=CF)CC=O;MLGRZDIKZNQAMC-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380716;MM380716;CC(CN)C(=CF)CCN;DAODPGFUGYUXBR-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380717;MM380717;C=CC#CC(=CF)CC#N;BPWCUUZSSOPIFE-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380718;MM380718;CC(CN)C(=CF)CCF;BAACPJKQMSWIOO-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380719;MM380719;N#CCC(C#CC=O)=CF;JXXNAGRYNMRJER-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380720;MM380720;CCCC(=CF)C(C)CF;YZWXMMQYLVTYTA-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380721;MM380721;N#CC#CC(=CF)CC=O;ARNDJLNPDKAVSC-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380722;MM380722;CC(CF)C(=CF)CCN;WVTFSLCNAKSGLK-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380723;MM380723;C=CC#CC(CC=C)=NN;JUTPPYNSOWPRIN-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380724;MM380724;CC(CF)C(=CF)CCF;HJLUUSJIFPTDBY-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380725;MM380725;C=CC#CC(CC=C)=NO;IAKVCQZYNYKNQZ-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380726;MM380726;NCC(N)C(=CF)CCF;JCILMDQSYQJJAW-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380727;MM380727;C=CCC(C#CC=O)=NO;DIGKYSUHFZGNIE-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380728;MM380728;CC=C(CCO)C(O)CN;KHFPTKWYYXSHBC-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380729;MM380729;C=CC#CC(CC=O)=NO;AQWPBDZTZMRKGH-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380730;MM380730;CC=C(CCN)C(O)CO;YWKGIAKENWWMSU-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380731;MM380731;CC=C(C#CC=O)N=CN;UTAPXLYLIZYKTJ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380732;MM380732;CC=C(CCN)C(O)CF;QZLIWQKJGCQCLB-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380733;MM380733;CC=C(C#CC#N)NC=N;YGSHWLWDJZFJQV-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380734;MM380734;NCC(O)C(=CF)CCF;NJYGUGKWCPZZKQ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380735;MM380735;CC=C(C#CC=O)NC=O;UTIPDABDRRGYKJ-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380736;MM380736;OCC(O)C(=CF)CCF;DCDJSWYESTWQQC-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380737;MM380737;C=CC#CC(=CF)NC=N;RZEADNLADFDZFR-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380738;MM380738;OC(CF)C(=CF)CCF;DYPBPJOETAPHGO-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380739;MM380739;C=CC#CC(=CF)NC=O;LGZPOGSKTSZAQB-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380740;MM380740;CC=C(CCN)C(F)CC;VJUSBACSYMWUED-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380741;MM380741;C=CC#CC(=NC)NC=C;TZVQJZLROSEPLP-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380742;MM380742;CC=C(CCF)C(F)CN;LJURBASOAHEZPA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380743;MM380743;C=CC#CC(=NC)NC=O;LVNPJWIPAUDCFJ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380744;MM380744;CC=C(CCN)C(F)CO;XJFBURCZQNCDFJ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380745;MM380745;C#CC1(C#C)CC(C=O)N1;AZSMLTZVDMHJBX-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380746;MM380746;CC=C(CCN)C(F)CF;SXCBOEVPPJEQIZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380747;MM380747;C=CC#CC(=CC)OC=C;FPGFJYSSJMBQKO-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380748;MM380748;NCC(F)C(=CF)CCF;XQCMVAHICYIPRA-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380749;MM380749;C=COC(C#CC=O)=CC;HXMHRHDJAJOZNJ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380750;MM380750;OCC(F)C(=CF)CCF;YWFYDVDHPLWSBW-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380751;MM380751;C=COC(C#CC#N)=CC;AFNZEBPYVLHQSC-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380752;MM380752;CC=C(CNC)C(C)CN;OQHDIJBXPZFTED-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380753;MM380753;C=COC(C#CC=O)=CF;MYXHVWZFXUYRCV-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380754;MM380754;CC=C(CNC)C(C)CF;AAIKHRDJQQIUIM-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380755;MM380755;C=CC1(CC)NC1C(C)=O;YWINBUAIVSOFER-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380756;MM380756;CNCC(=CF)C(C)CF;NRFLSWJOOSLBBK-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380757;MM380757;C=CC#CC(=NO)OC=C;SMDLRHZUJQTPSX-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380758;MM380758;CC=C(CNC)C(N)CC;BADWJYIKAYBBRB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380759;MM380759;CC(=NO)C(=NN)C(=O)O;QZQMLUMLMRZPSF-UHFFFAOYSA-N;145.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380760;MM380760;CC=C(CNC)C(O)CO;YLQPCXXBMABDRT-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380761;MM380761;C#CC#CC(=CC)CC=C;QITFKTLKNWAAEP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380762;MM380762;CC=C(CNC)C(F)CF;YELYXTVHPVSNDY-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380763;MM380763;C#CC#CC(=CC)CC=O;IBOVUTAYSSEWRA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380764;MM380764;CCC(F)C(=CF)CNC;DHZVOTCXSOARSL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380765;MM380765;C#CC#CC(=CC)CC#N;UNOGAGCCHAFMHZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380766;MM380766;CNCC(=CF)C(F)CN;UFEXQGHBFSNJOO-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380767;MM380767;C#CC#CC(=CF)CC=C;MMAOWBBTGWFXBR-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380768;MM380768;CC=C(COC)C(O)CN;FHOKCVKDSNKPLV-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380769;MM380769;C#CC#CC(=CF)CC=O;JXEAUUZOFNNDKE-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380770;MM380770;CC=C(CCN)C(C)NC;QIGDIGCYIWRVTH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380771;MM380771;C#CC#CC(=CF)CC#N;SLEXSQBBEDKSER-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380772;MM380772;CC=C(CCF)C(C)NC;KWTIDFHHCIRFNY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380773;MM380773;C#CC#CC(CC=C)=NN;ODOSZIJRGQKBOE-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380774;MM380774;CCCC(=CF)C(C)NC;ZNZGEUGMJDLGRA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380775;MM380775;C#CC#CC(CC=C)=NO;KVBVJUVGCOICJW-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380776;MM380776;CNC(C)C(=CF)CCF;GAWMZAWODMQJLB-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380777;MM380777;C=Nn1[nH]c(=O)ncc1=O;LPPLBJUSQVTEGO-UHFFFAOYSA-N;140.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380778;MM380778;CC=C(CNC)C(C)NC;VCYYIOYYMQEQGC-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380779;MM380779;C#CC#CC(=CC)OC=C;YRLWUNOOXZNQMF-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380780;MM380780;CNCC(=CF)C(C)NC;OWHRYJGUXBRJNQ-UHFFFAOYSA-N;146.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380781;MM380781;C#CC#CC(=CF)OC=C;DRWCQDMKZAYGGZ-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380782;MM380782;CCCC(=NN)C(C)CF;LKURURBIYDGDBQ-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380783;MM380783;C#CC12C=CC(O)(C1)C2C;XXFCZCYNDXHABU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380784;MM380784;C=C(C#CC1CN1)CC=O;FSLSAMFLIRDPNF-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380785;MM380785;C#CCCC(=C)C(O)CC;QHZWPHLINFUVPV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380786;MM380786;CCCC(=NO)C(C)CC;QZDQCGKBUDQDRC-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380787;MM380787;C#CCC(C#CCC)=CC;MDWOLKWUOZBVPV-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380788;MM380788;CCC(C)C(CCN)=NO;UDIJTYPDGDTYKO-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380789;MM380789;C#CCC(C#CCN)=CC;IKRDFRVGFFAXFM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380790;MM380790;CCCC(=NO)C(C)CO;VCZXWSOJROULRG-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380791;MM380791;C#CCC(C#CCO)=CC;QPIGRRHMGSJIBU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380792;MM380792;CC(CF)C(CCF)=NO;SOIRETIMYDMUEC-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380793;MM380793;C#CCC(C#CCF)=CC;BEUZTXYPSBXPCC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380794;MM380794;CCCC(=NO)C(N)CC;DJBXJWCCYQZJCI-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380795;MM380795;C#CCC(C#CCC)=CF;ZOKNIDAKFLALBZ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380796;MM380796;N#CCC1CC1C1(O)CC1;LUIKDKQIEUOYPE-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380797;MM380797;C#CCC(C#CCF)=CF;RIXIOJGHCGPNLN-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380798;MM380798;CCCC(=NO)C(O)CC;PTANGHBVWNHZGP-UHFFFAOYSA-N;145.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380799;MM380799;C#CCC(C#CCC)=NN;AWCVFMFGLNXXKY-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380800;MM380800;C=C1C(=CF)CCC1CO;WWYJXRGRYNXCRE-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380801;MM380801;C#CCC(C#CCC)=NO;QUUZKLZWNYMIOS-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380802;MM380802;Nn1nc(O)c(F)c1F;RPOQOZZKEQFGPN-UHFFFAOYSA-N;135.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380803;MM380803;C#CCC(C#CC=C)=CC;RXRYJTVWTNQDKR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380804;MM380804;CCC(CO)C1CC1CC;VUJNQENJUFTEFY-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380805;MM380805;C#CCC(C#CC=O)=CC;ZTARSZFRJLMVRH-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380806;MM380806;COCC(=NN)C(C)OC;ZGVPIHFIVGCZGR-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380807;MM380807;C#CCC(C#CC#N)=CC;CQFDKORNOKBIHP-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380808;MM380808;CCN=C(NC)C(C)CN;RKWTZXRUMQTOHG-UHFFFAOYSA-N;143.23;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380809;MM380809;C#CCC(C#CC=C)=CF;ANKZDJWFAYNHRI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380810;MM380810;CCC(CO)C1CC1CF;YFEHOZYXYKGYMR-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380811;MM380811;C#CCC(C#CC=O)=CF;LGSNTHCWTYPMIT-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380812;MM380812;C=CCCC1C(O)C1C=C;NZSAITUFXPMOEH-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380813;MM380813;C#CCC(C#CC#N)=CF;JWYCKUOFWVONMN-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380814;MM380814;C=CC=CC1C(O)C1CC;ARFWZGSHHFMDFL-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380815;MM380815;C#CCC(C#CC=C)=NN;IZQLAIPARUKMRD-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380816;MM380816;CCC(N)C(=NNC)NC;XFJQNZRMVINYGL-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380817;MM380817;C#CCC(C#CC=C)=NO;YTRCYJXGFIHBTB-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380818;MM380818;C=c1cc2c(n1N)=NNC2;JBKOLVZEWFVKAX-UHFFFAOYSA-N;136.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380819;MM380819;C#CC#CC(=CC)CC#C;MGEUNQRPAGPIKI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380820;MM380820;CCC(O)C(=NNC)NC;WNZFFFMXSWRKRO-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380821;MM380821;C#CC#CC(=CF)CC#C;AAPQBXFZQTYMAA-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380822;MM380822;C=CC1C(C)C(CO)C1C;SEZRMEVYHARRBS-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380823;MM380823;C#CC#CC(CC#C)=NN;HKVNLUYXYUSPLU-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380824;MM380824;CC1C2CC3(CO)CC3C12;HVZUOWKECWBUNX-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380825;MM380825;CC=CC(C#CCC)=CC;LNIRSNXIXQNDCV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380826;MM380826;CC1(CO)CCC1;VLBAFQVSLHQELL-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380827;MM380827;CC=CC(C#CCN)=CC;KTKRAGXGEQELBG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380828;MM380828;C=CC1(O)CCC1;NENZDZJSFGHDNG-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380829;MM380829;CC=CC(C#CCO)=CC;PIROYANXZYNDRQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380830;MM380830;C#CC1C(C)C1(C)O;BFZPEVCNTBFDKW-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380831;MM380831;CC=CC(C#CCF)=CC;HNPMEMXUGKMTOL-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380832;MM380832;CC1=CC(O)C(C)C1;QFNOYXCMPZRCPY-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380833;MM380833;CC=C(C#CCO)C=CF;UAWZNEIRPVUXRA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380834;MM380834;CC1=CC(C)CC1O;WOTLBVYNLWFEJE-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380835;MM380835;CC=CC(C#CCN)=CF;JPNOSJDTQUKLKQ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380836;MM380836;CCC(C)C(=NOC)NN;HIIRHTSEFWAKIE-UHFFFAOYSA-N;145.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380837;MM380837;NCC#CC(C=CF)=CF;QVYOGRADTFMDQL-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380838;MM380838;CNN=C(CF)NN;LFVFKZKEYCKGAW-UHFFFAOYSA-N;120.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380839;MM380839;CC=C(C#CCC)C=NN;QSVICXKFPGTIOC-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380840;MM380840;COC(=NC=O)NN;VDXPVBUAENPQLZ-UHFFFAOYSA-N;117.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380841;MM380841;C=CC(=O)C(CF)=NNC;HUCMZASDRXPFRF-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380842;MM380842;CC1C=CC(O)C1C;WDNMBXSGZJSUPD-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380843;MM380843;NC=C(C#CCN)C=NO;HLKPSOQBUKKKNS-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380844;MM380844;CNC(=NOC)C(F)CF;TXDPQDXFPWTCCR-UHFFFAOYSA-N;152.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380845;MM380845;NC=C(C#CCO)C=NO;ADYDEYYFMSPKSN-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380846;MM380846;CC1=C(C)C(O)CC1;GISHTFOSHZKUBZ-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380847;MM380847;NN=CC(C#CCF)=CF;JPMBHPBSGBDGJC-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380848;MM380848;CCC1=CCCC1O;ATWNFNXQOITTIS-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380849;MM380849;CC=CC(C#CCC)=NN;NZZSPKVMHLKUML-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380850;MM380850;CCN=C(NN)C(C)OC;XECAISQIIYQXCV-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380851;MM380851;CC=CC(C#CCF)=NN;GLZFPIRQFJJNSM-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380852;MM380852;CNN=C(NC)C(C)OC;XHXWUUZLHMGEQY-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380853;MM380853;NN=C(C#CCF)C=CF;JDBMISTZTHAVQU-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380854;MM380854;CC=C(OCC)C(N)CO;UFIHIEHJPVQGIV-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380855;MM380855;CC=CC(C#CCC)=NO;PXXVSUHBOBVDTM-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380856;MM380856;CCOC(=CF)C(N)CO;LZQJAMWPKXWDLB-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380857;MM380857;CC=CC(C#CCF)=NO;HYDVPQWPBLFTSS-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380858;MM380858;CC=C(OCC)C(O)CN;YENXIRYCNLDVFO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380859;MM380859;C=CCn1cc(NC)nn1;XRMWDEZQHMJVJU-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380860;MM380860;CCOC(=CF)C(O)CN;MZJZBOVUGUHSOG-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380861;MM380861;NC=CC(C#CCN)=NO;CXPSDZLFFBHBAR-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380862;MM380862;CCOC(=NN)C(O)CO;ZAXUKPQCFJNSHZ-UHFFFAOYSA-N;148.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380863;MM380863;CCc1[nH]c(NC)cc1C;GJDSQIINZDJAGK-UHFFFAOYSA-N;138.21;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380864;MM380864;CCOC(=NN)C(O)CF;WJTDOWVTRBAMLC-UHFFFAOYSA-N;150.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380865;MM380865;C#Cc1[nH]cc(C=C)c1N;GKXNQCNMIXKKNA-UHFFFAOYSA-N;132.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380866;MM380866;N=c1nc(O)n(N)c(=O)[nH]1;CFKZWCPUNVWEPA-UHFFFAOYSA-N;143.11;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380867;MM380867;NN=C(C#CCO)C=NO;MYBREEBWRCDIAK-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380868;MM380868;O=C(C=CF)C1CN1;CGNQUQRUCJDPOI-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380869;MM380869;NN=C(C#CCF)C=NO;NPSNRYUEHKZQJD-UHFFFAOYSA-N;143.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380870;MM380870;CCCC(=NC)N(N)CC;AYFVNJLYRQZANE-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380871;MM380871;NN=CC(C#CCO)=NO;UKMVPYCBFTUHQE-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380872;MM380872;C=CC(C)(O)C=C(C)C;XVAOOWPFBANSLR-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380873;MM380873;C=CC#CC(C=CC)=CC;CBLQGDYABGQYBK-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380874;MM380874;C#CC(C)(C)C(C)CO;ABJYXRDEIQSKEC-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380875;MM380875;CC=CC(C#CC=O)=CC;ALERYHLCESMBCY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380876;MM380876;CCN(O)C(CCO)=NO;AEWSHBNXJVWCQZ-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380877;MM380877;CC=CC(C#CC#N)=CC;JZKCYHMDOOHYOM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380878;MM380878;CCN(N)C(CNC)=NC;VXINRGRDIDPGIK-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380879;MM380879;C=CC#CC(C=CF)=CC;JLDIZNNHIQVBEF-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380880;MM380880;CCN(C)C(COC)=NO;CWZMGJGZSMGCNO-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380881;MM380881;CC=C(C#CC#N)C=CF;XZGAXEXAUUPXRO-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380882;MM380882;CN=C(CCN)N(C)NC;RVWRKLOBXKBYGG-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380883;MM380883;C=CC#CC(C=CC)=CF;PYDOHYXCBFSJHE-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380884;MM380884;CON(C)C(CCO)=NO;WRQGRWXFLWKUKQ-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380885;MM380885;CC=CC(C#CC=O)=CF;MKZDYMNSKBVBDY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380886;MM380886;CCNC(=NN)N(N)CC;LNJOBFJSUBUIBN-UHFFFAOYSA-N;145.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380887;MM380887;CC=CC(C#CC#N)=CF;ZLCBWSQPEWPVLA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380888;MM380888;CCN(C)C(=NN)NNC;BVXHOJVODOHCCL-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380889;MM380889;N#CC#CC(C=CF)=CF;PNNJJDLVPIWAHZ-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380890;MM380890;CCN(N)C(=NC)NNC;WSQUCTXCESKLEP-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380891;MM380891;C=CC#CC(C=NN)=CC;WQZSKQPWEPUSGT-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380892;MM380892;CCN(O)C(=NC)NNC;NJWJMPYOLNOVHE-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380893;MM380893;CC=C(C#CC#N)C=NO;PGCZHMZKVZFHTG-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380894;MM380894;C=CC1CC(C)(CO)C1;HKZDJFKQUZQEBF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380895;MM380895;C=CC#CC(C=NO)=CN;DQXYHIWGPBTZLZ-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380896;MM380896;CCN(N)C(=NN)NOC;GWQYLODNFJBKLB-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380897;MM380897;C=CC#CC(C=CC)=NN;NCBHJXGFIJFETQ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380898;MM380898;C=C(F)CNN=CC=O;SVSDZVRMALLSEN-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380899;MM380899;C=CC#CC(C=CC)=NO;KFLYGDVLOSMRIS-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380900;MM380900;CC#CC(F)C(C)=NN;YWRLFSNJEDVLIU-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380901;MM380901;N#CC#CC(C=CN)=NO;ILVZWNVNNKTZFU-UHFFFAOYSA-N;135.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380902;MM380902;CCNC(=NN)N(C)NC;QAKADZXMBIMZEG-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380903;MM380903;C#CC#CC(C=CC)=CC;JCMXWPDWXAVCCF-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380904;MM380904;CCNC(=NC)N(C)OC;BCIROCSYPJVMHA-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380905;MM380905;C#CC#CC(C=CF)=CC;OJEQOJQFSAWUNL-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380906;MM380906;CNN=C(CF)NNC;MQBIGOIGZRGOHM-UHFFFAOYSA-N;134.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380907;MM380907;C#CC#CC(C=NN)=CC;ODYAUBVYCTWESM-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380908;MM380908;COn1cc(N)c(N)n1;ROCCFJRDGNFDQQ-UHFFFAOYSA-N;128.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380909;MM380909;C#CC#CC(C=NO)=CC;NAXIOZAMSUHCLC-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380910;MM380910;C#CC1=CC(=O)C(=N)N1;LEGCSTGUXQXXBW-UHFFFAOYSA-N;120.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380911;MM380911;C#CC#CC(C=NO)=CN;LLBDYKAVMJHSSI-UHFFFAOYSA-N;134.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380912;MM380912;CC=C(CC=O)C(C)CF;IJKBUCCSXJISKB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380913;MM380913;C#CC#CC(C=NN)=CF;DKFUSHISPVGWBG-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380914;MM380914;C=CCC(=CF)C(C)CN;IPWGDQXRRWXMOL-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380915;MM380915;C#CC#CC(C=CC)=NN;UQTQOZLHWWGGCH-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380916;MM380916;C=CCC(=CF)C(N)CN;WWRMFPVMNGSMGU-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380917;MM380917;C#CC#CC(C=NO)=NN;BVKKTYDONJKNDW-UHFFFAOYSA-N;135.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380918;MM380918;C=CCC(=CF)C(N)CF;VVNXDCZTUVRHPZ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380919;MM380919;CC=C(CC#N)C(O)CC;YSNYXHFYKRELCN-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380920;MM380920;CC#CC(C#CCC)=CC;GJFNTZIWDCOUBC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380921;MM380921;C=CCC(=CC)C(O)CN;YEEMIKRUAIEVEY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380922;MM380922;CC#CC(C#CCN)=CC;PXPCUDZBLVZDAP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380923;MM380923;CC=C(CC=O)C(O)CO;NZKAUDJAUWCBOW-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380924;MM380924;CC#CC(C#CCO)=CC;INRUTIVYDRIHBM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380925;MM380925;CCC(O)C(=CF)CC=O;XFLCCPBRBAJUQQ-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380926;MM380926;CC#CC(C#CCF)=CC;NVPQKXDLBHPZJG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380927;MM380927;CCC(F)C(=CF)CC=O;KLEGXLZZUOGWHT-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380928;MM380928;CC#CC(C#CCC)=CF;AGXGVTWBRKWOJU-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380929;MM380929;C=CCC(=CF)C(F)CN;VCDHDUVKAZCPBM-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380930;MM380930;CC#CC(C#CCN)=CF;AYBHGRQRPYUABB-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380931;MM380931;C=CCC(=CC)C(C)NC;TZSFVDALBDRKOG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380932;MM380932;CC#CC(C#CCO)=CF;UNJMTZIDBQXTHI-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380933;MM380933;CC=C(CC=O)C(C)NC;QGZGSIOVDLSIJV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380934;MM380934;CC#CC(C#CCF)=CF;RFNDZBYODRNRIL-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380935;MM380935;CC=C(CC#N)C(C)NC;REXCXNZFTSIVJX-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380936;MM380936;CC#CC(C#CCC)=NN;DOOWHPQPJOINCC-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380937;MM380937;C=CCC(=CF)C(C)NC;YKTRUROUEZJQKG-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380938;MM380938;CC#CC(C#CCF)=NN;JTWZYAPRJRHGCM-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380939;MM380939;CNC(C)C(=CF)CC=O;NTOFGLFKTGLWRF-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380940;MM380940;CC#CC(C#CCF)=NO;NPULBIXCVAYYSR-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380941;MM380941;CC=C(CC=O)C(C)OC;ZLQVGIRJPJULPE-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380942;MM380942;C=CC#CC(C#CC)=CC;YHPBKCUIAXTMQH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380943;MM380943;C=CCC(=NN)C(C)CF;LXYIIZQHGURGNI-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380944;MM380944;CC#CC(C#CC=O)=CC;BDMVQCJJNRVDIQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380945;MM380945;C=CCC(=NO)C(C)CC;RZWJKQRFPGPEBN-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380946;MM380946;CC#CC(C#CC#N)=CC;XKUAISYSDZLPKJ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380947;MM380947;C=CCC(=NO)C(C)CN;SPMKXKDTSFLIKK-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380948;MM380948;C=CC#CC(C#CC)=CF;FSMHYUIHKYFREF-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380949;MM380949;C=CCC(=NO)C(N)CN;JWJVAJQDACWSJR-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380950;MM380950;CC#CC(C#CC=O)=CF;ZMHHVYIJHUPVBZ-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380951;MM380951;N=C1N=CC(=CO)O1;RBHJWWNDQSJZMX-UHFFFAOYSA-N;112.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380952;MM380952;CC#CC(C#CC#N)=CF;JPNVUFCCTNQECT-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380953;MM380953;C=Nn1nnc(CC)c1O;SNULGZIOAUSLHH-UHFFFAOYSA-N;140.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380954;MM380954;C=CC#CC(C#CC)=NN;ZIJGTMXKCBJCAH-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380955;MM380955;CC(CN)C(=CF)NC=N;QBAQNDCBNTWZSX-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380956;MM380956;C=CC#CC(C#CC)=NO;NHSSCLPOYFPISZ-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380957;MM380957;CC=C(NC=O)C(N)CC;CNAHVDNUFFGBBT-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380958;MM380958;C#CC#CC(C#CC)=CC;FXIZZRRYCXVTHG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380959;MM380959;CC=C(NC=N)C(N)CF;BSPVBHADFQJAHX-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380960;MM380960;C#CC#CC(C#CC)=CF;KQUIGBUOGASNCX-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380961;MM380961;O=CNC(=CF)C(O)CF;PRPCMASRGNWDFC-UHFFFAOYSA-N;151.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380962;MM380962;C#CC#CC(C#CC)=NN;RVANPGDVVTXVRL-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380963;MM380963;CC=C(NC=N)C(F)CN;GCGHIZLDCFRAIU-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380964;MM380964;CCC=C(CC)CCCC;NOBLDEYGTBPLMF-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380965;MM380965;C=CN=C(NO)C(C)CO;QSQDOQADWPAFIM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380966;MM380966;CCC(=CCN)CCCN;LXUBGEFVKSXMML-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380967;MM380967;CN=C(NC=N)C(O)CO;PIQPXHGSCXNZBY-UHFFFAOYSA-N;145.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380968;MM380968;CCC=C(CN)CCCC;AFBYHNORKUDKSE-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380969;MM380969;CN=C(NC=N)C(O)CF;AXDNOSAYBRDDDW-UHFFFAOYSA-N;147.15;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380970;MM380970;CCC=C(CN)CCCN;NNPOYVYGFBWTBK-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380971;MM380971;C=CNC(=NO)C(O)CO;RVWPZXVMSNGOIC-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380972;MM380972;CCC=C(CN)CCCO;IQKPEDCYPAKCDN-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380973;MM380973;CC#CC1CCC(O)C1;PGMNJQZAAZWPSS-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380974;MM380974;CCCCC(=CCN)CN;UOMAYDWDKYMANV-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380975;MM380975;C=CN=C(NC)C(C)OC;HTCNMXIKNBLDRE-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380976;MM380976;NCC=C(CN)CCCF;LPFNVIFGNPIZKE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380977;MM380977;COC(C)C(=NN)NC=O;JHCNLPBOXVJMTO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380978;MM380978;NCCCC(=CCO)CN;GIYADLUJLJQOQU-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380979;MM380979;C=CNC(=NO)C(C)OC;YGCFVQJJEUSEGN-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380980;MM380980;NCCCC(=CCF)CN;ZDYHWOLABHBIMG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380981;MM380981;COC(C)C(=NO)NC=O;HPDPEAFEADRWTA-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380982;MM380982;NCC(=CCF)CCCF;ZUVSJPPVOZIQID-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380983;MM380983;C=COC(=CF)C(N)CO;ZZIHYFWXDPGZDC-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380984;MM380984;CCCCC(=CCN)CO;QZPGKKOMOFWFHE-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380985;MM380985;C=COC(=CF)C(O)CF;VEWAFNPORPLXOT-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380986;MM380986;OCC(=CCF)CCCF;RXHFWOMUEYLGKL-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380987;MM380987;CC=C(OC=O)C(C)NC;FVKRJRWNUDOWIR-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380988;MM380988;NCC=C(CF)CCCN;HFIXPNHXDWNMFS-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380989;MM380989;C#CC1=CNC(=N)C1=O;QMLFEQAJNQWPSX-UHFFFAOYSA-N;120.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380990;MM380990;NCC=C(CF)CCCF;HYMGNLFXGPSJSX-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380991;MM380991;C=COC(=NO)C(C)CN;VVHSWMFPJSOPNR-UHFFFAOYSA-N;144.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380992;MM380992;NCCCC(=CCO)CF;WZNYJKHEQIKIKY-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380993;MM380993;C=COC(=NN)C(O)CO;CUCCIFZQSCWZHH-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380994;MM380994;NCCCC(=CCF)CF;XOLSDMIUQUDOOS-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380995;MM380995;NN=C(OC=O)C(O)CO;ZPMIPHSNULUZDY-UHFFFAOYSA-N;148.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380996;MM380996;CCC(=CCN)CCNC;LUIQVXPPRIOSRQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380997;MM380997;CC(=N)N(O)C(=N)C(=O)O;PEGSVAIFOMCLKD-UHFFFAOYSA-N;145.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380998;MM380998;CCC=C(CN)CCNC;SEGRSLQQJQSPNK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM380999;MM380999;NN(C=O)CC=CC(=O)O;MCHVLODCXHFLNF-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381000;MM381000;CNCCC(=CCO)CN;NJGAURIRXUUGDO-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381001;MM381001;NN=C(OC=O)C(F)CO;OOFKSSWUCIZNQZ-UHFFFAOYSA-N;150.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381002;MM381002;CNCCC(=CCF)CN;ZLSBOLRVGPEEII-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381003;MM381003;C=COC(=CC(=O)O)NC;GPBBLJCCJZPDLS-UHFFFAOYSA-N;143.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381004;MM381004;CNCCC(=CCN)CF;CLCVPBSXZHAPEQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381005;MM381005;CC#CC1CC1C(C)O;QHMPJINQNOZXDU-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381006;MM381006;CNCCC(=CCF)CF;BGONHQKHIUKAML-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381007;MM381007;C=NNCC(C)(C)CC=O;UIZMKVBILYQIHP-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381008;MM381008;COCCC(=CCO)CN;IIZARGFXVBNJSA-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381009;MM381009;CN(N)C(=NN)C(=O)O;BCXBUNQCDASWIB-UHFFFAOYSA-N;132.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381010;MM381010;CCC=C(CO)CCOC;STBRLUVOHCURLN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381011;MM381011;C=CNC=NOCC(=O)O;ANRGUFPADFSIAK-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381012;MM381012;C=CC=CC1C(C=O)N1C;SYQFDFYTROQHEX-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381013;MM381013;O=CNC(=O)NCC(=O)O;QFKLFOHJLSYCRY-UHFFFAOYSA-N;146.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381014;MM381014;CCC(=COC)CCOC;FEWOWMZXCFSIEV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381015;MM381015;CCn1c(O)nncc1=O;KQTUTBMZVOWQPV-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381016;MM381016;COC=C(CN)CCOC;PAVFTCVAYXFDFC-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381017;MM381017;C#CC#CCC(C)(O)CC;YLRVGAVSTYIDLI-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381018;MM381018;CCCCC(=CCN)OC;HPNDIPWRDNLHNL-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381019;MM381019;COC(C(=O)O)=C(C)F;PEXKVYZTVLQZLW-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381020;MM381020;COC(=CCN)CCCO;DCQIZLLFCNHEJP-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381021;MM381021;CCN(C)C(CC=O)=NC;WSODTWLYRFAGFD-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381022;MM381022;CCC=C(CCOC)OC;OSYVNRSQISATRE-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381023;MM381023;C=CCC(=NC)N(N)CC;JXTNYJWZBYNULF-UHFFFAOYSA-N;141.22;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381024;MM381024;COC=C(CCCO)OC;JLPBPXAISZZMGB-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381025;MM381025;CC=CC1CC(C)(CO)C1;ZFEHAAIRMUZLAX-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381026;MM381026;CNCCC(=COC)OC;KEXVKWFVAITTPP-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381027;MM381027;CC1(CO)CC(C=NN)C1;HYTPGSFBOVQYHK-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381028;MM381028;COC=C(CCOC)OC;YWTGEZHTKNYJFH-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381029;MM381029;CON(C)C(CC=O)=NO;FCCUIVYLDBNGRJ-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381030;MM381030;CCNCC(=CCN)CC;PKXAIHZPTAIOHE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381031;MM381031;C=CNC(=NN)N(C)CC;GSJOZMKXORZBOO-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381032;MM381032;CCC=C(CN)CNCC;RBQNNTOVEUCLBR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381033;MM381033;C=C(C)C1CC(C)(CO)C1;YIAWNVXXAJRKAH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381034;MM381034;CCNCC(=CCO)CN;CSFDCRIEWSGQNC-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381035;MM381035;C=CNC(=NN)N(N)CC;SMPCTWIUSRZUJJ-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381036;MM381036;CCNCC(=COC)CF;HACSIYJPHRLNSK-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381037;MM381037;CCN(O)C(=NC)NC=N;DLHKOXBENPGTEH-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381038;MM381038;CCNCC(=COC)OC;YBSVLRBZEAOHIR-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381039;MM381039;C=CNC(=NN)N(O)CC;MUWHELLRYYJUSL-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381040;MM381040;CCC=C(CC)COCC;FCXXKRIHAVWEGY-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381041;MM381041;C=NOC=NNCC(F)F;XZKURSMIBHSBSV-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381042;MM381042;CCOCC(=CCN)CO;IQDSOZUFAGDOBG-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381043;MM381043;C=CC(CO)C(=C)C(=C)C;HIJUULOTEGINST-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381044;MM381044;CCOCC(=CCO)CO;QLOXFSWXDWHCRQ-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381045;MM381045;CC(O)C(C)CCCC=O;LOXYJSITYAIKJX-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381046;MM381046;CCC=C(COCC)OC;ICSOBQFQHYQSDV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381047;MM381047;CCN(O)C(=NO)OC=O;XZASDPMRWGHENT-UHFFFAOYSA-N;148.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381048;MM381048;CCOCC(=COC)OC;NOTMARNZPYRWFP-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381049;MM381049;C=C(C)C(O)C(C)C#CC;WGXZPSNHDDKRNC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381050;MM381050;CCCCC(CC)=NNC;GOKJGFYAVNBILT-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381051;MM381051;C#CCC(=CF)C(C)CN;DEFNTFVDVBEFOY-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381052;MM381052;CCC(CCCN)=NNC;RVTJKBDZHOMAQI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381053;MM381053;C#CCC(=CC)C(N)CN;WAPZJXNDAJEGEC-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381054;MM381054;CNN=C(CO)CCCN;XYJUGXVWHJTZSW-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381055;MM381055;C#CCC(=CF)C(O)CC;LUEUHLSZUODFBX-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381056;MM381056;CNc1cocn1;MJNWATLTCHWYDC-UHFFFAOYSA-N;98.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381057;MM381057;C#CCC(=CF)C(O)CF;MZBRIWGIIMGUCP-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381058;MM381058;CNCCC(CO)=NNC;GHUDXUVPVSOHPM-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381059;MM381059;C#CCC(=CF)C(F)CN;QKQJLCSKVUPRNG-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381060;MM381060;CCC(CCCN)=NOC;YHXVFSMCIUWMGQ-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381061;MM381061;C#CCC(=CF)C(C)NC;RPJCAANNHYLRIH-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381062;MM381062;CON=C(CN)CCCN;DORGKTDNFUWYAS-UHFFFAOYSA-N;145.21;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381063;MM381063;CNN=C(NNC)C(C)F;QHYGLKXHYJVPAQ-UHFFFAOYSA-N;148.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381064;MM381064;C#CC(=O)C1CN1;SHZNFLMWNWKMTJ-UHFFFAOYSA-N;95.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381065;MM381065;N=c1nn[nH]c(=O)c(O)n1;QRYLDPOCYNWBJH-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381066;MM381066;CON=C(CF)CCCF;FPZSVQBJIBUPAF-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381067;MM381067;C#CCC(=NC)N(N)CC;KCAJCKZXZLBTNJ-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381068;MM381068;CNCCC(CN)=NOC;QIGDNEXDSIFDCK-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381069;MM381069;C=COC(=NNC)C(F)F;OOCXPJLDCYCVJU-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381070;MM381070;CNCCC(CO)=NOC;HYRIKAGACYICKY-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381071;MM381071;CC=C(CCF)C(C)C=O;FKAXNGJCZSAIHH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381072;MM381072;CNCCC(CF)=NOC;FATAAYYSCVRXRS-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381073;MM381073;C=CC(C)C(=CF)CCN;OWTPEFKEXJYMMG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381074;MM381074;CCC(CCOC)=NOC;JLBSCCAKJGIPLV-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381075;MM381075;CC(C=O)C(=CF)CCF;WXGXBNLQZZHXTA-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381076;MM381076;CC1(C)CC1(C)CO;MTMSHFLYHMLPTP-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381077;MM381077;C=CC(N)C(=CC)CCF;KDPIWPSTOHBNDQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381078;MM381078;CN=C(CCCO)NOC;AZYTYCUOLXBOBT-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381079;MM381079;C=CC(N)C(=CF)CCN;ASAHIXWIQVAOCC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381080;MM381080;CCCCC(=NOC)OC;RKGIURPGMVAAII-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381081;MM381081;C=CC(O)C(=CC)CCO;XDVCOHYVJCUXHP-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381082;MM381082;C=CC(=C)C(O)CC;YLHIQCSROJMEJY-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381083;MM381083;CC=C(CCC)C(O)C=O;YKUQZMKGDLXYFX-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381084;MM381084;CNCCC(=NOC)OC;NVKLSOCEICATFS-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381085;MM381085;CC=C(CCF)C(O)C#N;WRWDGTXKUULNQT-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381086;MM381086;C=CC(O)C(=CF)CCN;OGDVLLZCKQIYCS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381087;MM381087;CCNCC(CC)=NOC;GFGVFIIMJPNNNL-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381088;MM381088;C=CC(F)C(=CF)CCN;PSLQRMJFQFSTGY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381089;MM381089;CC1(CO)C=CC=C1;FLSYQUNFNUUGPL-UHFFFAOYSA-N;110.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381090;MM381090;C=CC(C)C(=CC)CNC;VGACMHJEEHIQAN-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381091;MM381091;CCOCC(=NOC)OC;HERFJBAHEPVMMB-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381092;MM381092;CC=C(CNC)C(C)C=O;TUWJICLIVQWFDW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381093;MM381093;CCCN=C(CO)NCC;CQNHZHZJRPLNLQ-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381094;MM381094;C=CC(C)C(=CF)CNC;OOEZQDLZUIHDPW-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381095;MM381095;CCCN=C(CC)NNC;GNQSSTRPFPQVPI-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381096;MM381096;C=CC(N)C(=CC)CNC;ISRQUEOUPBTHJM-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381097;MM381097;CCC(=NNC)NCCN;FWHJKHXGGMRHAV-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381098;MM381098;C=CC(F)C(=CF)CNC;OYOPJLMLPROPOK-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381099;MM381099;CC1C(C)C1(C)CO;BGPHPYURYPDVQB-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381100;MM381100;COCC(=CF)C(C)C=O;RNBKILSVNYOXGF-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381101;MM381101;O=CC=C1NC=NN1;AJKVBISTQYVIMK-UHFFFAOYSA-N;111.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381102;MM381102;COCC(=CF)C(C)C#N;IEWPVEVENHDWAS-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381103;MM381103;CCCNC(=NNC)NC;GOJQCBNFSLIPKV-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381104;MM381104;C=CC(O)C(=CC)COC;IJRXOUXXDCYMEF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381105;MM381105;CNN=C(NC)NCCO;AAODSNSDINEYCZ-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381106;MM381106;C=CC(C)C(CCC)=NN;ZJHYSQZSBBQPES-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381107;MM381107;CNN=C(NN)NCCO;ODQLHGCNNREQAT-UHFFFAOYSA-N;147.18;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381108;MM381108;C=CC(C)C(CCC)=NO;BTLBGFBLZZEBQJ-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381109;MM381109;CCCNC(=NNC)NO;RQAQOBIKEVKJIS-UHFFFAOYSA-N;146.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381110;MM381110;CCCC(=NO)C(C)C=O;BETSWAGWMHGDRP-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381111;MM381111;CNN=C(NO)NCCN;BTZMAALGFCKKGQ-UHFFFAOYSA-N;147.18;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381112;MM381112;COn1[nH]c(=O)ncc1=O;AMEWPNPTIGNLFW-UHFFFAOYSA-N;143.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381113;MM381113;CNN=C(NO)NCCO;WJDJOMWPUJEOKV-UHFFFAOYSA-N;148.17;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381114;MM381114;CCN=C(NC)C(C)C#N;LKZFIMSNAUYYLW-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381115;MM381115;CC#CC(C)(C)C(C)O;VVPOIJIPKHMDKB-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381116;MM381116;C=CC(O)C(=NCC)NC;LERLQTHKQGVIFW-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381117;MM381117;CC1(C)C(CO)C1(C)C;JWMVEHPZNUNGIO-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381118;MM381118;CCN=C(NC)C(O)C=O;YXTLVSLJROPLRC-UHFFFAOYSA-N;144.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381119;MM381119;C=CC(C)(C)C(C)CO;FWUSJFBNWDBSAG-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381120;MM381120;C#CC(C)C1CC1(O)C=C;LFYRAYRWSYMHFM-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381121;MM381121;C#CC(C)C1CC1(C)O;JFABZYJVIHIFNW-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381122;MM381122;C=CC1(O)CC1C(=C)CC;MXIDDTYYDLBOHT-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381123;MM381123;CCCNC(=NOC)OC;MSWOLKWFNIBTNV-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381124;MM381124;C=CC(O)CC(C=C)C=C;OYXSZHRNWNKZEO-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381125;MM381125;C=C(CC)C1CC1(C)O;GQLLXZOLKHGIGA-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381126;MM381126;C=CC(C=C)=CC(O)CC;FRYHAKCTKUDVST-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381127;MM381127;CCC1C=CC(C)(O)C1;GGYRKNJHXMZSMQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381128;MM381128;C=CC(C)C(=NOC)NN;DWVMATAFRLUQLH-UHFFFAOYSA-N;143.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381129;MM381129;CCNNC(=NNC)NN;VCKFQLIQKKXDHH-UHFFFAOYSA-N;146.2;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381130;MM381130;C#CC1(C#C)CC(=O)CN1;BOVPEGRMYBNQMZ-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381131;MM381131;CCNNC(=NNC)NO;RIDDFTOEOAEILA-UHFFFAOYSA-N;147.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381132;MM381132;CN(NCC=O)C(=O)C#N;TZMYJEADNLPJMI-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381133;MM381133;CCC1=CC(C)(O)CC1;QKTLJVWWXIJSSK-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381134;MM381134;CNN=CCCC(C)C=O;MQBIYPGQZJALDI-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381135;MM381135;CCC1(C)CC(O)C1C;UXSUTFNNASCGCP-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381136;MM381136;C=NN=CCCC(C)C=O;FQRZOPOZCAHAAB-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381137;MM381137;C=CC(C=C)CC(C)O;QYLOCMGQBYJDFB-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381138;MM381138;CON=C(NO)C(O)C=O;FGHHTDSYFJKTCE-UHFFFAOYSA-N;148.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381139;MM381139;CCN=C(NC)NOCC;SMQSCEXCBXMVRJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381140;MM381140;CC=C(F)CNN=CC=O;IZVVCIKWKXNCCE-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381141;MM381141;CNC(=CC#N)CCC=O;WEZYXUCSNOLNMC-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381142;MM381142;CCONC(=NNC)NC;XKOLLTIHBVHSSM-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381143;MM381143;CC=C(OCC)C(O)C#N;ZFELPHCEBUBWET-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381144;MM381144;CCC(=CCN)OCCO;AZFFIMKDIQMJCI-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381145;MM381145;CCOC(=CF)C(O)C#N;LQUVBTHYUJIVOP-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381146;MM381146;CCC(=CCO)OCCN;AXTMHJVTHSADOE-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381147;MM381147;C=COC(=COC)C(=O)O;LINBCFSJYXVJFQ-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381148;MM381148;CCC(=CCF)OCCN;BUTHVOHMTYXSNX-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381149;MM381149;N#CC#Cc1nc(N)co1;SAHOGHYYBDABTO-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381150;MM381150;NCC(=CCO)OCCO;LAVSWHKFFOURNX-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381151;MM381151;CC=C(CCF)N(C)C=N;OWNJQGDTMOPPQP-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381152;MM381152;NCC=C(CO)OCCO;HPZDENCJBFOYQU-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381153;MM381153;CC=C(CCC)N(N)C=N;RKWUMQZTJDSQCS-UHFFFAOYSA-N;141.22;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381154;MM381154;NCC=C(CO)OCCF;BNNSRVDXRWFKDD-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381155;MM381155;CCCOC(=CCO)CO;YBPTZIOUKDOPGZ-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381156;MM381156;CC=C(CNC)N(N)C=N;AAGVPNPQHRYLKZ-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381157;MM381157;NCCOC(=CCO)CO;UVRYXDQORYQFQN-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381158;MM381158;CC=C(COC)N(O)C=O;XQXSEHRWLGHTRP-UHFFFAOYSA-N;145.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381159;MM381159;OCC=C(CO)OCCF;JIMIRGPTZGQTBJ-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381160;MM381160;CNC(C=O)C(C#N)=CN;ZNMOAAZAOTZJGV-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381161;MM381161;OCCOC(=CCF)CO;SXROZHDUSPSEQS-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381162;MM381162;C=CN(C)C(CCC)=NC;FNPHDURVEMQAMT-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381163;MM381163;OCC(=CCF)OCCF;YYJZIANQZNBYGE-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381164;MM381164;CN(C=N)C(CCO)=NN;AWGMVYVFTPGARS-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381165;MM381165;NCC=C(CF)OCCO;WFKJSHJLZPNHCQ-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381166;MM381166;CN(C=N)C(CCF)=NN;YNCBOCATFLXIOY-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381167;MM381167;NCCOC(=CCO)CF;YDMJNVBABJPIAV-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381168;MM381168;CCCC(=NC)N(N)C=N;JJCPUJRSHPIXFI-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381169;MM381169;OCC=C(CF)OCCO;ZWTSPCQKRGJUMS-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381170;MM381170;C=Cc1cc(NN=C)c[nH]1;MRRPLQRDBKGBKJ-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381171;MM381171;CCC=C(CN)OCOC;IUWLKYPANWLRCR-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381172;MM381172;C#CCc1nc(NC)co1;VYZIQJPBTADBTO-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381173;MM381173;COCOC(=CCF)CN;NXHKHGDXKLAPSP-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381174;MM381174;CC1=C(C#N)CCC(O)C1;GTDLEORLDUCKAS-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381175;MM381175;CCC=C(CO)OCOC;WNQOMDMSXHCRRG-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381176;MM381176;NN(C=O)C(CCO)=NO;OOSZZEMSIPKVPG-UHFFFAOYSA-N;147.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381177;MM381177;COCOC(=CCN)CO;UGYMZQVNBIAUQT-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381178;MM381178;C#CC1NN=C(OC)C1C;CEUUWJPFJPDYQV-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381179;MM381179;CCC(=COC)OCCN;DODKYWJUGPMMQU-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381180;MM381180;C=CCC1CC1C(O)C=C;AYMNCSODINFYIG-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381181;MM381181;CCC(=COC)OCCO;MCZSOHQGXAHMRN-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381182;MM381182;C=CN(O)C(CCO)=NO;YUFUHFVBBTUNJH-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381183;MM381183;COC=C(CN)OCCF;TZONBMVWQCIIKM-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381184;MM381184;N=CN(O)C(CCO)=NO;SZCJBCZLQRUOLD-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381185;MM381185;CCCOC(=COC)CO;GYQBCPWZIZFLBO-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381186;MM381186;C=CCC(F)C1NC1C=O;BIRDSHGWOAIAED-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381187;MM381187;C=CCC(CO)C(C)C;NAWJMYNXGYLOQJ-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381188;MM381188;C=CN(C)C(COC)=NO;AARONVXUGHTCJE-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381189;MM381189;N=c1[nH]c(=N)c(=O)c1=O;KEGIXWNWHRNQPU-UHFFFAOYSA-N;125.09;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381190;MM381190;COCC(=NO)N(C)C=O;XIKIFMIYNLPTCC-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381191;MM381191;CON=C(CO)OCCN;OWTNDVUWJHLPSF-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381192;MM381192;CCC1C=CN(C=N)N=C1;LIWOVIROTWSCAV-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381193;MM381193;CON=C(CO)OCCO;CZUBRJYODDGURF-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381194;MM381194;COCC(=NO)N(N)C=N;OJRBFNRXCRBIEC-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381195;MM381195;COCOC(CF)=NOC;MRZPHTOGYFYIKN-UHFFFAOYSA-N;151.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381196;MM381196;CC(O)CC1CC1;KNQQUHYWTTUEQJ-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381197;MM381197;CCN=C(NC)OCCN;BTGVHCWWMUWOHZ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381198;MM381198;C=CC=CC(C)(C)O;ZWRDKAOHFSUWQC-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381199;MM381199;C=C1CC(=C)C2(O)CC12;MPEZNNSUUYOJAG-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381200;MM381200;C=NN(C)C(CCN)=NO;IIKAGUVQCZFWNR-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381201;MM381201;CNN=C(NC)OCCN;VTPUCKCBOYIYHW-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381202;MM381202;C=NN(C)C(CCO)=NO;WSCJYBXBXMZMJK-UHFFFAOYSA-N;145.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381203;MM381203;C=CCC1CCC(O)C1;ZSGKITHCXHKYIU-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381204;MM381204;CCNC(=NC)N(C)C=N;CPGQXKNHHIGTCS-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381205;MM381205;CNN=C(NO)OCCN;TXRQVFWFAFDEJM-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381206;MM381206;C=CN(C)C(=NN)NCC;BQIHSBNFIWXOHT-UHFFFAOYSA-N;142.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381207;MM381207;C=CCC1CC1C(C)O;VDVNYLNCOMQOBS-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381208;MM381208;CCNC(=NC)N(O)C=N;GFQROCHALHXZPQ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381209;MM381209;CNC(=NOC)OCCN;MBOQIZMIDBEJBG-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381210;MM381210;C=CN(C)C(=NN)NNC;MLWNVBWRBAYPAR-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381211;MM381211;NN=C1CNC(=NN)O1;VGWWWSNVHJXAOW-UHFFFAOYSA-N;129.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381212;MM381212;CNNC(=NN)N(C)C=N;PNYCCUAFQBMZDT-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381213;MM381213;C=CC1CC(C=O)=NN1;AEONWZSLOCZNFF-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381214;MM381214;CNNC(=NO)N(C)C=N;JWCNMSMJIYCTQM-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381215;MM381215;CON=C(NO)OCCN;NRLMQXUPZLLUDU-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381216;MM381216;C=CN(N)C(=NC)NNC;MWXNFHJZPPRHEN-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381217;MM381217;NN=C1CC(CF)=CO1;UJEAQSFYELWEMO-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381218;MM381218;C=CN(N)C(=NN)NNC;WPRXTYYPZNYTKX-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381219;MM381219;CCc1ccc(NC)[nH]1;QVHVAMDOBQWCCO-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381220;MM381220;CNNC(=NN)N(N)C=N;IGCCJLXMQYDRON-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381221;MM381221;CCCOC(=NOC)OC;OARVTDWBZSTVRX-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381222;MM381222;C=CN(O)C(=NC)NNC;GRLDCGFGDQYDRH-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381223;MM381223;CON=C(OC)OCCN;UGZRRVPDJBMNAF-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381224;MM381224;C=CN(O)C(=NN)NNC;WJQPVEFALQIERN-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381225;MM381225;CCC=C(CC)CCC#N;AFZLEDYEPJIZIS-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381226;MM381226;C=C1CC(C)CC1O;SBPYDOBMENNAOI-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381227;MM381227;C=CCCC(=CCN)CC;UQYGLQBWNPTFDV-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381228;MM381228;C#CC1CC1(O)CC;ZELRSOSWYJYJNY-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381229;MM381229;C=CCCC(=CCN)CN;ZTKMQPMHCFYEKZ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381230;MM381230;C=CN(C)C(=NC)NOC;CYSIMUSZAMGZAJ-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381231;MM381231;C=CCCC(=CCN)CF;YBEPBISCKDCDIM-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381232;MM381232;CONC(=NN)N(C)C=N;KKHILNNLTQMESE-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381233;MM381233;CCC=C(CCC#N)OC;XCTZYSMQXJBOHB-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381234;MM381234;CC(CO)C1(C)CC1;PYJMXVOLUBFZHS-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381235;MM381235;COC=C(CCC=O)OC;WWTWZSMZKSOWQU-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381236;MM381236;C=CN(N)C(=NN)NOC;SNZLMWSJOUQVTP-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381237;MM381237;COC=C(CCC#N)OC;CZIWEALBPFKCBM-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381238;MM381238;C=C1C(C)CCC1O;ZJOBMMXXMYUREM-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381239;MM381239;CCC(=CCN)CNC=N;HQGNOTWTGHOPTL-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381240;MM381240;C=CN(O)C(=NC)NOC;YJJFKGQYCMBMCQ-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381241;MM381241;CCC(=CCN)CNC=O;FKOVIJSMTHJSGK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381242;MM381242;C=CC(O)C1CC1C;SGTMDEQUXMZLER-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381243;MM381243;CCC=C(CN)CNC=N;GJCAYQLMMBXEJA-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381244;MM381244;C=NN(C)C(=NC)NNC;SNUHOCGTFXRKJT-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381245;MM381245;CCC=C(CN)CNC=O;KZTLSUHOXUTBQC-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381246;MM381246;C#Cc1nocc1N;SJCLGIPVLGHNFH-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381247;MM381247;O=CNCC(=CCO)CO;QOWOKBBSJIMTCJ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381248;MM381248;CC=C(OCC)N(C)C=N;JMMIAAKTKCTFQU-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381249;MM381249;C=NNCC(=CCC)CC;LLTISBUKEVQUJX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381250;MM381250;CC=C(OCC)N(C)C=O;YVZXDTMYJWNKTE-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381251;MM381251;C=NNCC(=CCN)CC;UFKOEOLBLJMIMA-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381252;MM381252;CCOC(=CF)N(C)C=O;KWNJVJCGIPIBRT-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381253;MM381253;C=NNCC(=CCC)CN;XSWCGXCVHHLMKT-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381254;MM381254;CC=C(OCC)N(N)C=N;LDRKRXJBCFKTKP-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381255;MM381255;CCc1c[nH]c(NC)c1;HSOQXFFMMFXAJT-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381256;MM381256;CC=C(OCC)N(N)C=O;DIXOKNQOFTXGQB-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381257;MM381257;C=Cc1c[nH]c(NC)c1;MOBYPAZHIPHPEF-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381258;MM381258;CC=CC(O)C1CC1;KFLPUIOCUICVPT-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381259;MM381259;C=NNCC(=CCF)CF;UGFURDUDEFZIQL-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381260;MM381260;CC=CC=CC(C)(C)O;MPXRPUOPYBZMHM-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381261;MM381261;CCC(=COC)CNC=N;XGIZBWNFHFZZDA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381262;MM381262;CCOC(=NO)N(C)C=O;ZYDNIRNKHVOYBB-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381263;MM381263;C#CC(F)C(=N)N1CC1;FUIKPTIYNRUXOQ-UHFFFAOYSA-N;126.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381264;MM381264;CCOC(=NC)N(N)C=O;OWCJVJWSDZWISK-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381265;MM381265;COC=C(CO)CNC=O;KTCJKJSDHXNNLQ-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381266;MM381266;CC(C)(O)C=CC=CF;KFRCYPONDAUWAM-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381267;MM381267;CCC=C(CNC=N)OC;VCSWZWMSJXKULW-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381268;MM381268;C=C(C)C(=C)CC(C)O;HUFZBCXDHTWTDD-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381269;MM381269;C=C(CC=O)CC(C)(C)O;XDGMLYKHIMUOEW-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381270;MM381270;CCOC(=NO)N(N)C=O;ZYIVIFHOWOAPCL-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381271;MM381271;COC(=CCO)CNC=N;AXVOPOBAXPTGKT-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381272;MM381272;C=CC1(O)CC(CC)C1;QLCUKEQTESKYRV-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381273;MM381273;C=NNCC(=CCC)OC;GLSDZDDZGJRDLX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381274;MM381274;CCOC(=NO)N(O)C=N;LZPHNRBXJWRPOQ-UHFFFAOYSA-N;147.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381275;MM381275;C=NNCC(=CCN)OC;BCWPZPCSBGCHRW-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381276;MM381276;C=NN(C)C(=NC)OCC;QPPUCLZIOMDRTP-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381277;MM381277;C=CC(C)(C=C(C)C)CO;SOCGVZHEKJQVFY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381278;MM381278;C=CC(C)C(=CC)CC=O;NVFRYVOXZYRUKS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381279;MM381279;C=NNCC(=CCF)OC;MKTZFJVTEUVAOC-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381280;MM381280;C=CCC(=CC)C(C)C=O;KTVHELAYXSWKPR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381281;MM381281;O=COCC(=CCO)CO;FOTGGQAQQIJVEW-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381282;MM381282;C=CC(C)C(=CF)CC=O;MGGBUQGPRBSGBI-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381283;MM381283;O=COCC(=CCF)CO;BCQBMNKBNZTBIB-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381284;MM381284;C=CCC(=CF)C(C)C=O;GMVMMNWSKBSLCO-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381285;MM381285;C=COCC(=CCO)CF;GDGQVZODSCHPEC-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381286;MM381286;CC(C#N)C(=CF)CC#N;UASUIIIVZFSUDG-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381287;MM381287;C=NOCC(=COC)CC;VWNSZYCFHMBLGX-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381288;MM381288;C=CC(O)C(=CC)CC#N;WIVMVKBGODSPHN-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381289;MM381289;C=NOCC(=COC)CF;GJDLAAMWOVKWFK-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381290;MM381290;CC=C(CC=O)C(O)C=O;AIDRQTJFZOPORQ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381291;MM381291;C=COCC(=CCC)OC;KHWYAWXYQWYEJS-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381292;MM381292;O=CCC(=CF)C(O)C=O;CSMBUYWEKROPON-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381293;MM381293;COC(=CCO)COC=O;NPJFDZUYVUFLOM-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381294;MM381294;CC=C(CC#N)C(F)C#N;BXSRGLHUSZVQGE-UHFFFAOYSA-N;138.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381295;MM381295;C=NOCC(=CCF)OC;IVKILLBCWKGIHZ-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381296;MM381296;C=CCC(=NO)C(C)C=C;IWSXSWMHQDDWHJ-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381297;MM381297;C=COCC(=COC)OC;GLUMDTUAENAWKO-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381298;MM381298;NC(=O)C(=O)NCC(=O)O;LIGRAMCSNNLRCN-UHFFFAOYSA-N;146.1;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381299;MM381299;C=NOCC(=COC)OC;HJSBMPNEBPUQAQ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381300;MM381300;CC(C(=O)O)C(O)C(=O)O;NPYQJIHHTGFBLN-UHFFFAOYSA-N;148.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381301;MM381301;C=CCCC(CC)=NNC;GTYFALWXAYJUBP-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381302;MM381302;COc1noc(F)c1O;MJKKEUNDXSIHHE-UHFFFAOYSA-N;133.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381303;MM381303;CC(O)CC1(C)C(C)C1C;LSFWQJBJPJKMHW-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381304;MM381304;CC(C=O)C(=CF)NC=O;DTMYGRPRIQQZIA-UHFFFAOYSA-N;145.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381305;MM381305;C=CCCC(CC)=NOC;ASHSHRGXVXSQBN-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381306;MM381306;C=CC(O)C(=CC)NC=O;RUNQJXWGBMEUMZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381307;MM381307;CCC(CCC#N)=NOC;PUYYEFVRRFUKFD-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381308;MM381308;N#CC(O)C(=CF)NC=O;KSRQWTAIUJVXNF-UHFFFAOYSA-N;144.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381309;MM381309;CNN=C(CO)CNC=N;ORXSQDRRDQDASC-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381310;MM381310;N=CNC(=CF)C(F)C=O;SXSIOKVHDGWJLD-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381311;MM381311;C=C(CCC)C1CC1(C)O;JGDYQQTUKXYDAP-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381312;MM381312;C=CC(C)C(=NC)NC=N;CTNPIBOAHHCQJD-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381313;MM381313;CNN=C(CF)CNC=N;ZWYHMSHASJVKHA-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381314;MM381314;C=CC(=CC)CC(C)O;DSCIQOGPPLIXAE-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381315;MM381315;CCCC1=CC(C)(O)CC1;HICLKUXZEPZTEX-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381316;MM381316;C=CC(C)C(=NN)NC=O;GYBVWJQIDRHCLK-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381317;MM381317;CON=C(CN)CNC=N;HDOMIYHXGZFSJL-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381318;MM381318;C=CC(O)C(=NC)NC=O;XXQLJWYFDUZQIF-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381319;MM381319;CON=C(CO)CNC=N;ILFXZPKOUKRKHR-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381320;MM381320;O=COC(CCO)C(=O)O;JSJJZFOLNMMIFI-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381321;MM381321;C=CC(C=CF)CC(C)O;XRNLGMFIOPBLAX-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381322;MM381322;CCC(C)C1(C)CC1O;APJUAFJXPYYOFV-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381323;MM381323;CCC1(CC(C)O)CC1C;NCSYYTRSKRZPRK-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381324;MM381324;CNN=C(CF)N(C)N;XHNZKJZSBDGDJZ-UHFFFAOYSA-N;134.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381325;MM381325;CNN=C(CNC=N)OC;GEPVHOPYABGSAK-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381326;MM381326;C=COC(=CC)C(C)C#N;LAQLWBUANIJMHS-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381327;MM381327;CC(O)CC1(C(C)C)CC1;DAWHFYGUTFLBDF-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381328;MM381328;C=COC(=CF)C(O)C#N;HVXJVFIGMUUSPL-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381329;MM381329;CON=C(CNC=N)OC;UZYSLSCUBOFWLM-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381330;MM381330;O=COC(=CF)C(O)C=O;NWPOOISWAFCFKH-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381331;MM381331;CON=C(CNC=O)OC;VFVSRWMPIJSKJO-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381332;MM381332;C=COC(=NN)C(O)C=C;FVVAXXWDCHAYNH-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381333;MM381333;CC(=O)CNN=CCC#N;WRUSJQQXRQTVNT-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381334;MM381334;C=C(C)C(O)C(C#N)=NO;WIWIHPOTTBDOKZ-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381335;MM381335;CC(=O)C=NNCCCF;VQQYXHZWBZEWBP-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381336;MM381336;N#CC1=CC(=N)C(=N)N1;VGYXCTNXKASWPV-UHFFFAOYSA-N;120.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381337;MM381337;C=NOCC(CC)=NNC;GRGFXVYJXLOYIB-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381338;MM381338;O=CN1CC1C(=O)O;UWUYNLSBJFFFPR-UHFFFAOYSA-N;115.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381339;MM381339;C=COCC(CC)=NOC;AOOHNOIUEKUWGD-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381340;MM381340;CNC(=O)C#CCC(=O)O;HDPZVKZRMQQNDP-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381341;MM381341;C=COCC(CN)=NOC;XGTQVZODEQLRON-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381342;MM381342;C=CCC(=CC)N(N)C=O;DLKHLOZNRGSXRZ-UHFFFAOYSA-N;140.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381343;MM381343;CC(O)C(C)C=CCC=O;MFNPMULILURLBH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381344;MM381344;C=CCC(=CC)N(O)C=N;HZULAYBMICBXNI-UHFFFAOYSA-N;140.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381345;MM381345;C=COCC(CF)=NOC;RMTWWTVWQHBTTP-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381346;MM381346;C=CCC(=CC)N(O)C=O;XDDUEEVLHFHJQK-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381347;MM381347;C=NOCC(CN)=NOC;UKYUHWYQZJHVFZ-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381348;MM381348;C=CCC(=NC)N(C)C=C;PVIBIHMIDGNYQA-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381349;MM381349;CC#CC1CC(C(C)O)C1;PYPWVGVNKMNURX-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381350;MM381350;CN=C(CC=O)N(C)C=N;RUODFLWFFWVGMV-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381351;MM381351;C=COCC(=NOC)OC;HPNCUSCSSFDHLR-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381352;MM381352;CCC(C)C1C(C)C1O;GHFNJSIPAAVLID-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381353;MM381353;CCN=C(CO)NCC=O;YGKBTEOHZPRWHV-UHFFFAOYSA-N;144.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381354;MM381354;CCCC1C(O)C1CC;UPAQIRTYWFCXDR-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381355;MM381355;C#CCC1=CC(=O)C(=N)N1;IOSAIMAHENPMDD-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381356;MM381356;C=CCC(=NC)N(N)C=O;QOELAVJYHFPIHN-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381357;MM381357;CC#CC1=CC(C)C(O)C1;LDSHTSPTQIPQTM-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381358;MM381358;CC(C)(O)CCCCC=O;ORVMCXVPASVAEY-UHFFFAOYSA-N;144.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381359;MM381359;CCC(=NOC)NCC#N;AISSXOFUOYMPEJ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381360;MM381360;C=CCC(=NO)N(C)N=C;OEDARSUGSQMUBZ-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381361;MM381361;C=CC(O)(C=C)CC=CC;ANUPZGRMYGJSMK-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381362;MM381362;C=NN(C)C(CC=O)=NO;LVZAOFLKBSOKRJ-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381363;MM381363;CNN=C(NC)NCC=O;CQOIORMURUHORN-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381364;MM381364;CC=C(NC=N)N(C)C=N;WQKMBIPPVCIQRJ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381365;MM381365;CCN=C(NCC#N)OC;NXSZSBYCPBLEOB-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381366;MM381366;CC=C(NC=O)N(C)C=O;YPAFBAIDOGXLNB-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381367;MM381367;C=CC(C)(CO)CC#CC;YAYDQJPKXHWOJG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381368;MM381368;CC=C(NC=N)N(N)C=N;VSUVOTUHVLFSAU-UHFFFAOYSA-N;141.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381369;MM381369;CNN=C(CO)NNC=N;PCCAGXRYERGOAK-UHFFFAOYSA-N;145.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381370;MM381370;CC=C(NC=O)N(N)C=N;WJRBPTCFFJAHOX-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381371;MM381371;C=CC(O)C1CC1(C)CC;ASZBTWNTVFXLDW-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381372;MM381372;CC=C(NC=N)N(N)C=O;OIXTWWJMTQPCTP-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381373;MM381373;CNN=C(CF)NNC=N;XAUQSWSWOKDHHQ-UHFFFAOYSA-N;147.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381374;MM381374;CCC=CC=CC(C)(C)O;OROZBRKYOMUTHD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381375;MM381375;C=CC1=CC(C)(CO)C=C1;ZMORCHMWQFGYOS-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381376;MM381376;N=CNC(=CF)N(N)C=N;DEHVLCZOPVYTRO-UHFFFAOYSA-N;145.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381377;MM381377;CC1(CO)C=CC(C=O)=C1;FPJWIBBDIUBVFS-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381378;MM381378;N=CN(N)C(=CF)NC=O;GPJUDGBZERZYIR-UHFFFAOYSA-N;146.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381379;MM381379;CON=C(CO)NNC=N;MTBVDNLXYLITRL-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381380;MM381380;CCC#CC(C)C(O)CC;IGZFWKIJLWMREA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381381;MM381381;N=CNC(=CF)N(N)C=O;HJWDUVIKPOQJJY-UHFFFAOYSA-N;146.13;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381382;MM381382;CON=C(CF)NNC=N;QRPMSDMSTTXLEB-UHFFFAOYSA-N;148.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381383;MM381383;CC=C(NC=O)N(O)C=O;VWWNBWHWNKQJQD-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381384;MM381384;CNN=C(NC)NNC=N;KDFQXFWDAHOSLC-UHFFFAOYSA-N;144.18;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381385;MM381385;CN=C(NC=O)N(C)C=N;UIAPPUUGQRWMFP-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381386;MM381386;CNN=C(NC)NNC=O;GZGIMLYLDQHJEM-UHFFFAOYSA-N;145.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381387;MM381387;C=CNC(=NC)N(C)C=O;TVYOBECYNGIEMG-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381388;MM381388;CNN=C(NN)NNC=N;NJJFCHKIAKRABJ-UHFFFAOYSA-N;145.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381389;MM381389;CN=C(NC=N)N(C)C=O;XMNGVLCYRRGBGQ-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381390;MM381390;CNN=C(NN)NNC=O;ZZAVZNXSGKCTFH-UHFFFAOYSA-N;146.15;-2.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381391;MM381391;COC=CC=CC(C)(C)O;AUWRXGTWEJVJRN-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381392;MM381392;CNN=C(NO)NNC=N;KSFZDFWYIFAAHL-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381393;MM381393;C=CN(C)C(=NN)NC=N;URSXMYOSFGEDCX-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381394;MM381394;CNC(=NOC)NNC=N;DLVMSHSETGTJOD-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381395;MM381395;CN(C=N)C(=NN)NC=O;ZPGDTVHFDJDNTJ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381396;MM381396;CON=C(NN)NNC=N;INBUQYOIPHOFKA-UHFFFAOYSA-N;146.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381397;MM381397;C=CC=CC=CC(C)(C)O;XPNMUIDFORKMCQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381398;MM381398;CON=C(NO)NNC=N;IXOWCVHQMYZHFF-UHFFFAOYSA-N;147.14;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381399;MM381399;CN(C=N)C(=NO)NC=N;YJTSQFAJHRIXQW-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381400;MM381400;CNN=C(NC)C(F)=CN;LSHBPJQRNIKJLX-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381401;MM381401;CC(C)(O)C=CC=CC=O;FPODGPOTYLPEQT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381402;MM381402;CON=C(NNC=N)OC;DBSCIKMTHFIYHF-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381403;MM381403;CN(C=O)C(=NO)NC=O;HJZMEGGMIRCKET-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381404;MM381404;CNNC(=NN)OC=NN;XOTDGTUCBOBHNX-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381405;MM381405;CN=C(NC=N)N(N)C=N;WJBXTZBIPVVFHB-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381406;MM381406;CCON(C=N)C=NNC;SQKBGFALEOJMOG-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381407;MM381407;CN=C(NC=N)N(N)C=O;WLQMFICJNQUGSJ-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381408;MM381408;C#CC#CC(=NNC)NN;OUVUSPBRPGABJB-UHFFFAOYSA-N;136.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381409;MM381409;C=CN(N)C(=NN)NC=N;POJDBLRCAAGGPI-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381410;MM381410;NNc1cnc(=O)n(N)n1;AKROPYJCGCBZDF-UHFFFAOYSA-N;142.12;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381411;MM381411;N=CNC(=NN)N(N)C=N;XTCQVUNVMJNZIK-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381412;MM381412;NN=c1nc(F)c(N)no1;UEBQCDVQNYUCRG-UHFFFAOYSA-N;145.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381413;MM381413;N=CNC(=NN)N(N)C=O;BEZQEBSFSZUULW-UHFFFAOYSA-N;144.14;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381414;MM381414;CCCc1c[nH]c(NC)c1;NXXBMYKLWOFZFG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381415;MM381415;CC(C)(O)C=CC=CC#N;YXIQAOYGMGCRTC-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381416;MM381416;CCNc1cc(CC)c[nH]1;QPUWYPCJQSEQAT-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381417;MM381417;CCC(C)(O)C=CCC=O;BSBRLXNHDZCFJV-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381418;MM381418;C#CC1CC1CC1(O)CC1;ZDVLFBGQSBXSCH-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381419;MM381419;NN(C=O)C(=NO)NC=O;PHVDYBWVTATGAP-UHFFFAOYSA-N;146.11;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381420;MM381420;CCC(=CCF)OCC#N;LFENHRBNLROWDL-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381421;MM381421;C=CNC(=NC)N(O)C=C;XOTXTNOKJCHWJX-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381422;MM381422;CCC=C(CO)OCC=O;AWZZAYQEVDVIIY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381423;MM381423;C#CC=C(C)C(C)(O)C=C;DYENUOQNLUSANW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381424;MM381424;CCC=C(CO)OCC#N;HSXYQAZBKNNEJS-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381425;MM381425;CC(C=O)CC(C)C(C)O;BQAVCVDHPZXCBT-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381426;MM381426;O=CCOC(=CCO)CO;CCKANNVYHUHZEQ-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381427;MM381427;C=NNC(=NC)N(C)C=N;PSXXTERIXTXQQW-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381428;MM381428;N#CCOC(=CCO)CO;KVJDYBYOOJESIH-UHFFFAOYSA-N;143.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381429;MM381429;C=NN(C)C(=NN)NC=N;SFJDJBSDFCJESL-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381430;MM381430;C=CCOC(=CCF)CO;FPSRXJJPYBLAQA-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381431;MM381431;CC(=O)C(=N)N=C(N)C=O;NSYRCAHOQRVQAG-UHFFFAOYSA-N;141.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381432;MM381432;CCC(=COC)OCC#N;SKDSNFXXWXCFMR-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381433;MM381433;C=NN(C)C(=NO)NC=O;ZXRHYZIDOCGWRI-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381434;MM381434;COC=C(CF)OCC#N;ANDNQNIDPHYOHF-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381435;MM381435;C=COC(=CC)N(C)C=N;UGGLEKBECIPUNI-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381436;MM381436;CCC1(C2C(C)C2O)CC1;KUSWNGLPBPSTNA-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381437;MM381437;C=COC(=CF)N(C)C=O;PKVHQXMYFVFHKE-UHFFFAOYSA-N;145.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381438;MM381438;CCc1c[nH]c(OC)c1N;UTUJSMVENVVKSV-UHFFFAOYSA-N;140.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381439;MM381439;C=Cc1[nH]cc(CF)c1N;UIECBQLDLOUWFZ-UHFFFAOYSA-N;140.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381440;MM381440;C=COC(=CC)N(N)C=O;JCVKGPOJOJAHBA-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381441;MM381441;C=CCOC(CO)=NOC;MCHCXBPHGRUBBL-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381442;MM381442;C#CCC(O)CCC(=C)C;UXSZMEZYKBWHIC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381443;MM381443;CON=C(CO)OCC=O;JVEVVUGZSAVXGO-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381444;MM381444;CN(C=O)C(=NN)OC=O;QHWVTIMPNAWLDQ-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381445;MM381445;CC#CC1=CCC(O)C1C;QKLRJDUACYLNPU-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381446;MM381446;C=CN(C)C(=NO)OC=O;KARZLWNOPAMJCT-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381447;MM381447;CCN=C(NC)OCC#N;ZYSSFIXNABYPQA-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381448;MM381448;C=C(C(C)O)C1(C)CC1C;LJRIGEGZLMMZPT-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381449;MM381449;CC1NC1C(F)C#CC#N;CUUYHGBANGCDRN-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381450;MM381450;CN(C=O)C(=NO)OC=O;DKQBUPMCECEYKX-UHFFFAOYSA-N;146.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381451;MM381451;C=CC(OC)C1NC1C=O;FGFDYHJFGBVXFZ-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381452;MM381452;CN=C(OC=O)N(N)C=N;JFELFEXKTVUIPH-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381453;MM381453;C=CCOC(=NOC)OC;PWLYISOXUPRPAY-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381454;MM381454;C=CC(O)CC1(C)CC1C;SKCKIRULEUYWKJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381455;MM381455;C=CC(O)C1C(C)C1CC;JJXGONBNASTXHQ-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381456;MM381456;C#CC(C)C(C)CC(C)O;VICLFECBCYTTRM-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381457;MM381457;CON=C(CN)ONC=N;OOLLDVZERINOSV-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381458;MM381458;C=NOC(=NC)N(N)C=N;UOVDEZWJVBPDBY-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381459;MM381459;CNN=C(NC)ONC=O;KWNLGPPTVYYUAS-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381460;MM381460;C=NOC(=NC)N(N)C=O;WSINAZDFLKFUTJ-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381461;MM381461;CNN=C(NN)ONC=O;HGQIQOWHFNHUNE-UHFFFAOYSA-N;147.14;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381462;MM381462;C=C(CC(C)O)C(C)=CF;JPTBSUKODZUYCL-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381463;MM381463;CNC(=NOC)ONC=O;KNLKQAJQGLSNJW-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381464;MM381464;C=CC1(O)CC(CCC)C1;HAVQAEADJAITJM-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381465;MM381465;CON=C(NN)ONC=O;WYUPFHZVFDMVKM-UHFFFAOYSA-N;148.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381466;MM381466;C=NOC(=NO)N(N)C=N;FCENHEOZAMGVKV-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381467;MM381467;CON=C(OC)ONC=O;GHTXGPSOFSDICG-UHFFFAOYSA-N;148.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381468;MM381468;C=NOC(=NO)N(N)C=O;LBXNSJCHOPBWSO-UHFFFAOYSA-N;146.11;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381469;MM381469;C#CCCC(=CCO)CC;OFYLJNFMNSSODG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381470;MM381470;C=CC(CO)C(C)C(C)C;GKMZVSGZNQRCND-UHFFFAOYSA-N;142.24;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381471;MM381471;C#CCCC(=CCF)CN;YUJCQAHYNAUMDM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381472;MM381472;N=C(N)C(=O)COCC=O;OKOPDHNYBLAHRB-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381473;MM381473;C#CCCC(=CCC)OC;VKVBQOOOQDMEHA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381474;MM381474;C=NOC(=NO)N(O)C=N;SITISZLYQQAZLV-UHFFFAOYSA-N;146.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381475;MM381475;C#CCCC(=CCO)OC;YTVPOFBPCDEYNF-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381476;MM381476;C#CCC(=CF)C(C)C=C;VJLZGZAVPGEIFY-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381477;MM381477;C#CCCC(=COC)OC;DWWOFCPBWHMPBH-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381478;MM381478;C#CCC(=CF)C(C)C=O;WWQOOFJTFWTSQF-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381479;MM381479;C#CCCC(CC)=NOC;WRWZZDYNLIDNJK-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381480;MM381480;C#CCC(=CF)C(N)C=C;IZITWBOCGKCHJS-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381481;MM381481;C#CCCC(=NOC)OC;UKJORNSGCGOOAA-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381482;MM381482;C#CCC(=CF)C(F)C#N;HLKNPDHNRRHJII-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381483;MM381483;C#CCN=C(CC)NNC;URFLKQCORIRTFY-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381484;MM381484;C#CCC(=NO)C(C)C=C;ZGCMRZKDAQHOML-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381485;MM381485;C#CCNC(CC)=NOC;JSSOTXHPDAEEDF-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381486;MM381486;CNN=C(N)C(=O)C(=N)N;JNDONDCXVXTPJG-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381487;MM381487;CC=NN=CNOCC#N;ZRVMECDETOFBDL-UHFFFAOYSA-N;140.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381488;MM381488;C=Cn1nc(C)c(O)n1;KYLBEJQOJMWQTH-UHFFFAOYSA-N;125.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381489;MM381489;C#CCNC(=NCC)NC;SGKKVMCVBDEMTA-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381490;MM381490;C#CCC(=NC)N(C)C=C;YXVOTDLBMWRWSK-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381491;MM381491;C#CCNC(=NCC)NO;XWSKOYODKPXOON-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381492;MM381492;C=CNC(=NNC)C(C)F;GTYBLTKWTOPHQZ-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381493;MM381493;C#CCNC(=NNC)NC;IHSFBDHHWJTXEC-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381494;MM381494;CC=CC(O)CC1CC1C;FKHTUWKMNJSHMI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381495;MM381495;C#CCNC(=NNC)NN;PLXHEAAWUUEZST-UHFFFAOYSA-N;141.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381496;MM381496;C=C1C(O)CC2(C)C(C)C12;KNSRPJPFFZHRGG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381497;MM381497;C=NN=CCC=CCC=O;LIVQEGUGKBBXGS-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381498;MM381498;C#CCC(=NO)N(O)C=N;CLVPYDXCWLGLAL-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381499;MM381499;C#CCOC(=COC)CN;CUWGNVCDCPOQFI-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381500;MM381500;C#CC(N)C(=CC)CCF;AQHLPKHLISNQIU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381501;MM381501;C#CCOC(=COC)CF;VAHSZHMFVZGHKY-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381502;MM381502;C#CC(N)C(=CF)CCC;HTTVWHYFYCINCR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381503;MM381503;CC(C)=CC(C)(C)O;PCFLZEMUEOSJPS-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381504;MM381504;C#CC(O)C(=CF)CCC;HDEUNJANNFPCBD-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381505;MM381505;C=CCC(C)(C)CO;XFZHDXOKFDBPRE-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381506;MM381506;C#CC(O)C(=CF)CCN;XLGOITXHOCHHGE-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381507;MM381507;C#CCOC(=NCC)NC;AMYFBVGHNMMYQK-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381508;MM381508;C#CC(F)C(=CC)CCF;JQQDWPORJHIKRP-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381509;MM381509;C=CCC(O)C(=C)C;RXPIKCXXXVLDLD-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381510;MM381510;C#CC(F)C(=CF)CCN;DVGJLKKMGVNAFB-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381511;MM381511;CCC1C(C=O)N1C;OQDMUXGEMBOYNV-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381512;MM381512;C#CC(F)C(=CF)CCF;HSPMGUXFIKXQCU-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381513;MM381513;CCc1cc[nH]c1N;HSRROLOLHMIWLA-UHFFFAOYSA-N;110.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381514;MM381514;C#CC(C)C(=CC)CNC;QIENMXVPDBSTRA-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381515;MM381515;C#CCOC(=NOC)NC;SXARFEJIKDORCX-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381516;MM381516;C#CC(C)C(=CF)CNC;WZUUKBLKWJUQRR-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381517;MM381517;C#CCOC(=NOC)OC;CCWQUVGAUXBUNR-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381518;MM381518;C#CC(O)C(=CF)CNC;FYVMQYQTQJVAMH-UHFFFAOYSA-N;143.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381519;MM381519;C=CC=C(CC)CCCC;ZJJVXUUAVATKFA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381520;MM381520;C#CC(F)C(=CC)CNC;DMIRSZABYKKVNV-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381521;MM381521;C=CC=C(CC)CCCN;YMXCECVJFPALCU-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381522;MM381522;C#CC(C)C(CCC)=NN;COSMBZBHCNLOTR-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381523;MM381523;CC(=O)C=NNC(C)C;YZIHUNZXNYQKDM-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381524;MM381524;C#CC(C)C(CCC)=NO;VMLSEHXEVXUMGA-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381525;MM381525;C=CC=C(CC)CCCF;ZORDOOMJYMZURG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381526;MM381526;C#CC1(C)CC(OC)=NN1;JNAVTCCPFOAWPT-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381527;MM381527;CCCCC(=CC#N)CC;PAVJRXVSINBACW-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381528;MM381528;C#CC1(C=O)CC(=O)CN1;FDXGNUXFJRXYCA-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381529;MM381529;CC=CCC(C)(C)CO;JWDNEOWNMKUAAF-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381530;MM381530;N#CCc1n[nH]c(O)n1;YIIUGFCKWXBEOL-UHFFFAOYSA-N;124.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381531;MM381531;C=CC=C(CN)CCCO;YWHWLGPAAJTICD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381532;MM381532;C=CC(O)CC1(CC)CC1;SLKQOIYCBHMONF-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381533;MM381533;C=CC=C(CN)CCCF;ITCVZFNFOZNIPK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381534;MM381534;CCN(N)C(CF)=NNC;PAQZAMBTZMLEOH-UHFFFAOYSA-N;148.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381535;MM381535;CC1C=CC(C)(CO)C1;XYXJPOJVXBJEOU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381536;MM381536;C=C1C(=C)C(O)CC1=CC;GMYPAXHXMRGGFD-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381537;MM381537;O=CC=C(CF)CCCF;OICMEIWLWWZOOL-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381538;MM381538;C#CC1=CC(=C)C(O)C1C;NDZVIDXGJVIUOA-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381539;MM381539;C=CC=C(CC)CCNC;YCFIPPAEGHWBAB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381540;MM381540;C#CC(C)C(=NOC)NC;RESYTCXQMKBJNX-UHFFFAOYSA-N;140.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381541;MM381541;CCC(=CC#N)CCNC;UEKSZAOBRVWPES-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381542;MM381542;C#CC#Cc1nc(N)co1;YVNYQLNWDZEEHQ-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381543;MM381543;C=CC=C(CF)CCNC;SEPOLNJLIHWHSB-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381544;MM381544;CC(C(N)=O)=C(C)C(=O)O;UUYBLTKKYAOJKP-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381545;MM381545;C=CC=C(CC)CCOC;FWYLMXNKXXVCAC-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381546;MM381546;C=CC=C(CO)CCOC;AJPAJXCMVQJBMT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381547;MM381547;C#CC(C)C(=CC)CC=O;AORQCYXIBBYNNA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381548;MM381548;CNC(=CC=O)CCCO;AXRXLLGHPQMKSX-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381549;MM381549;C#CC(C)C(=CF)CC=C;JTYSNBXAXFLRLS-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381550;MM381550;CNC(=CC=O)CCOC;NZQNGMPVLVAXEA-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381551;MM381551;C#CC(C)C(=CF)CC=O;QOHCJGDOHXJVGP-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381552;MM381552;C=CC=C(CCNC)OC;OLLMRGZZROACPZ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381553;MM381553;C#CC(N)C(=CC)CC=C;BRSUYOFHJZENHO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381554;MM381554;C=CC=C(CCOC)OC;ISSDXOMUGCFUBT-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381555;MM381555;C#CC(N)C(=CF)CC=C;GXWGWARDJKUCJF-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381556;MM381556;COCCC(=CC#N)OC;ROHNDEYGYBMKTL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381557;MM381557;C#CC(O)C(=CC)CC=O;RXKNUXAYXFGAEA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381558;MM381558;C=CC=C(CC)CNCC;WZMZHMBYEDCZEV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381559;MM381559;C#CC(F)C(=CC)CC=O;IUEOSCVLLXVTAY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381560;MM381560;CCNCC(=CC=O)CC;RFORGVBAFIAVQO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381561;MM381561;C#CC(F)C(=CF)CC=O;RYEJFCNNCMFFGW-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381562;MM381562;CCNCC(=CC#N)CC;AVYMNIJYKTZYNK-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381563;MM381563;C#CC(C)C(CC=C)=NN;QXJDGZIAUKHBPR-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381564;MM381564;C=CC=C(CN)CNCC;UDGCZTXEULNBGK-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381565;MM381565;CCC(=CC(N)=O)C(=O)O;HBRWOKKTMZCRTK-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381566;MM381566;C=CC=C(CO)CNCC;YXDSXZHDUWGMSC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381567;MM381567;C#CC(C)C(=CF)NC=N;UQZOPAWHAUXHLF-UHFFFAOYSA-N;140.16;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381568;MM381568;CCNCC(=CC=O)CO;JVOJWNTYLBVPLW-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381569;MM381569;C#CC(C)C(=NC=C)NN;RIWREEQOLLMHER-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381570;MM381570;CCNCC(=CC=O)NC;NFGMPIZUXOEKNR-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381571;MM381571;C#CC(C)C(=NN)NC=O;WHHJEJBCFJCEIU-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381572;MM381572;C=CC=C(CC)COCC;ZWJLCISZSUSFKO-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381573;MM381573;C#CC(C)C(=NO)NC=C;XGNUQHRXTQDSMK-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381574;MM381574;CCOCC(=CC=O)NC;TYSJYNITTIOSHF-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381575;MM381575;C#CC(N)C(=NC=C)NC;XMKQVGJRMZRHTI-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381576;MM381576;CCOCC(=CC#N)NC;AAOBSZAPEROYLW-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381577;MM381577;C#CC(O)C(=NC)NC=O;VUMKGGRETIXCBX-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381578;MM381578;CCOCC(=CC=O)OC;MREFXFIVHUMTAD-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381579;MM381579;C=NNCCC(C=O)CC;CNKMDCXXIQEYEI-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381580;MM381580;CCOCC(=CC#N)OC;LMDKVVVPOPFSLD-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381581;MM381581;C#CC(C)C(=NO)NN=C;AZGGLZHOBPZOTH-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381582;MM381582;C=NN=C(CO)CCCO;YAHHMRXIPMIIOZ-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381583;MM381583;C#CC(O)C(=CC)OC=O;PLXFEDGKFBXDGO-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381584;MM381584;C=NN=C(CC)CCOC;GLRORWKMEIQUCV-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381585;MM381585;C=NN=CNN(C=N)C=O;QTWBWIXDGMQXDR-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381586;MM381586;C=NN=C(CCCO)OC;CMIQIUOAUKQDKP-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381587;MM381587;COC(=NN)C(O)C(=O)O;RZBJGBFSAGZXSN-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381588;MM381588;C=NN=C(CCOC)OC;NXVGEJYXXZAQRD-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381589;MM381589;NN=c1[nH]nc(O)o1;XUDOVPSSIKERCP-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381590;MM381590;C=NN=C(CO)COCC;AKOIXNJPCHBSRD-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381591;MM381591;C#CCC(=NN)C(O)C#C;SFQGDXMHCPZMLE-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381592;MM381592;C=NN=C(COCC)OC;FEKQHZHLRLKQGT-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381593;MM381593;C=C(CN)C(=CF)CCN;AFWJCYXWGMZFFM-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381594;MM381594;CCCNC(=CC#N)CC;GGSRUZPANFQXQJ-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381595;MM381595;C=C(CN)C(=CF)CCF;AJLPSQQSLAWMSB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381596;MM381596;CC1=CC(C)(CO)CC1;MFIWJGKXRIPSSS-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381597;MM381597;C=C(CF)C(=CF)CCN;UXUNQSRFSZDHLL-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381598;MM381598;O=CC=C(CO)NCCF;PQJNFYABTXJGAX-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381599;MM381599;CC=C(CCC)C(=O)CO;HYABKWWNQYCMSQ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381600;MM381600;O=CC=C(CF)NCCO;SHTVFCZMSIYAGX-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381601;MM381601;CCCC(=CN)C(=O)CF;RGYDGINVGOJXFV-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381602;MM381602;CNC(=CC=O)NCCO;XTXIADFWNSZCOS-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381603;MM381603;NC=C(CCF)C(=O)CF;ORPHGLIMYWHYGT-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381604;MM381604;CCCNC(=CC#N)OC;SJDFGORKFUQBPJ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381605;MM381605;C=C(CC)C(=CF)CNC;YSOKPKSOZMNLLA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381606;MM381606;CCC(=NCCN)NC=N;ZGXAXFQVHFMCGY-UHFFFAOYSA-N;142.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381607;MM381607;C=C(CN)C(=CF)CNC;GUJCYMGGISFQDR-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381608;MM381608;C#CC(C)CC1(O)CC1;YTZHVSQBKDUSME-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381609;MM381609;C=C(CO)C(=CF)CNC;NVRVTCKWXYNWMC-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381610;MM381610;N=CNC(CO)=NCCN;XVFAELPNYWEUTL-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381611;MM381611;N=CNC(CO)=NCCO;CSJWJAAAHKSAPB-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381612;MM381612;CC=C(CNC)C(=O)CC;ZWPGLNBGDOUDMB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381613;MM381613;O=CNC(CO)=NCCO;TULQCMGPXYIESY-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381614;MM381614;CC=C(CCC)C(=N)NN;WFBIQRLIPBFEAK-UHFFFAOYSA-N;141.22;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381615;MM381615;O=CNC(CF)=NCCO;FVWDFWLOJONQKN-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381616;MM381616;CC=C(CCC)C(=N)NO;HRCVLQDBUIQVHV-UHFFFAOYSA-N;142.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381617;MM381617;CCCNC(=NC=N)NC;ZJEARJFKDWGSJH-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381618;MM381618;CC=C(CCN)C(=N)NO;MAPFHWIBFOVVIZ-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381619;MM381619;CNC(=NC=N)NCCN;DQEXZWIEQLDLDJ-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381620;MM381620;CCCC(=CN)C(=N)NC;AWTRRHUMHOPTLS-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381621;MM381621;CNC(=NC=N)NCCO;LFCIHDVLKSXYHN-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381622;MM381622;CNC(=N)C(=CN)CCO;ITRBRIFNCUUIJS-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381623;MM381623;N=CN=C(NN)NCCO;LBTMRNCISSBDQS-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381624;MM381624;N=C(NN)C(=CN)CCO;GTBSJCBUHALXJQ-UHFFFAOYSA-N;144.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381625;MM381625;N=CN=C(NO)NCCO;PSRAQPYGUUGTNP-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381626;MM381626;C=CC(=NN)C(F)C#CC;FOGJKGVJXQCYDQ-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381627;MM381627;C=NN=C(NC)NCCO;HJYMBAXPFFYOOZ-UHFFFAOYSA-N;144.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381628;MM381628;CN=C1C=NC(=CC=O)N1;KESIBVUJKATDHI-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381629;MM381629;CCCNN=CC(C)=O;NSODNIKAUANZAL-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381630;MM381630;CC=C(CCC)C(=O)NO;QAGONEDZNKJYMX-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381631;MM381631;C#CCC1(O)CC1C=C;IQCDBTPMJMSYPJ-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381632;MM381632;CC=C(CCN)C(=O)NO;RHYIGNRTQJRZSW-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381633;MM381633;C=CC1NC1(C)C(C)=O;PEHOSXJIUKMDFZ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381634;MM381634;C=CC1=CC(=CC)CC1O;KZUOHEZUPSRSQI-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381635;MM381635;CCC(=O)CNCC#N;WWFGKUFEAYCBOS-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381636;MM381636;NC=C(CCO)C(=O)NO;LTXFESIQQYJYRT-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381637;MM381637;CC#CC(C)C(O)CC;DULHJDBGIIRPPY-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381638;MM381638;O=C(NO)C(=CF)CCF;ZJQJLQDXTKXFCH-UHFFFAOYSA-N;151.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381639;MM381639;CCNNC(=NC=N)NC;UOTBQQUEQNMSOC-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381640;MM381640;CC=C(CNC)C(=N)NC;UCRLFLIXZDQUJN-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381641;MM381641;CCNNC(=NC=N)NN;KTUVTIZTFLBEBR-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381642;MM381642;COCC(=CN)C(=N)NN;LLKWAXKCQPZQEQ-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381643;MM381643;CCNNC(=NC=N)NO;AVKNKFMLIGLRCU-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381644;MM381644;COCC(=CN)C(=N)NO;QAEHYPBAOAJESV-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381645;MM381645;C=NNC(=CC=O)CF;IHVZACSOUAYLIE-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381646;MM381646;CC1C=CC2(CO)CC2C1;AOSXTFQZVSGKRD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381647;MM381647;CCONC(=NC=N)NC;NBPTWNQKDLNTQY-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381648;MM381648;COCC(=CN)C(=O)NO;NNAQRRZJCQHMPT-UHFFFAOYSA-N;146.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381649;MM381649;C#CC1CC(C(C)O)C1;LYMRRGRUGQMZRP-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381650;MM381650;COC(=O)C(=CN)CCO;LWJJIBRAGISWOP-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381651;MM381651;C=CC=C(CC)OCCO;ZSXCGVQKRQIVKW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381652;MM381652;CC=C(CNC)C(=O)OC;LZWDGYRTNIUDHY-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381653;MM381653;C=CC=C(CO)OCCO;ZURTVGMWMQDVEW-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381654;MM381654;C=C(CC)C(CCN)=NO;CYDQWQBZHZACDG-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381655;MM381655;O=CC=C(CO)OCCO;NDMXHDWVQJEPEC-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381656;MM381656;C=C(CO)C(CCO)=NO;BBKREKZSGFVDIJ-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381657;MM381657;N#CC=C(CO)OCCO;YUJBDKPXZGPRHI-UHFFFAOYSA-N;143.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381658;MM381658;CNC(=N)C(CCN)=NO;YNUMQJNYQPJDBK-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381659;MM381659;C=CC=C(CN)OCOC;NGGHNSNXOXACFF-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381660;MM381660;C=C1C(O)CC2(CC)CC12;WPQFVKSHLOBJJQ-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381661;MM381661;CNC(=CC=O)OCCF;SXLSAIJUBYBAPE-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381662;MM381662;CC1C(C#N)=CNC1C=O;JTIZFSWXVGCTNT-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381663;MM381663;CNC(=CC#N)OCCF;JZNZJCAKRLDXMS-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381664;MM381664;C=Nn1nnc(C#N)c1N;GEKPRCSDBSKWHL-UHFFFAOYSA-N;136.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381665;MM381665;C=NN=C(CN)OCCN;KDEYTUBOXLCALX-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381666;MM381666;C#CCC1NC1C(=O)C#C;BAZUBOJIJIYIAS-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381667;MM381667;C=NN=C(CO)OCCC;PWFZPDGGAIYUDT-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381668;MM381668;CCCC(=NN)C(=O)NO;TUUKIUATCMFDLK-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381669;MM381669;CNC(=NC=N)OCCN;DDIPRQYZMXCWMM-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381670;MM381670;CNC(=O)C(CCN)=NO;KXOHBZUSWPBJAS-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381671;MM381671;COc1nc(N)c(C)o1;RAWZXPXCGFEBRS-UHFFFAOYSA-N;128.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381672;MM381672;CCC1C(O)C1CCCF;SDYVDACRMGXERN-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381673;MM381673;Cc1c(N)c[nH]c1C#N;UHSQAGKDBKFPNQ-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381674;MM381674;CC1=CCC(O)C1;CMNFHXXQIBKFPA-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381675;MM381675;C=NN=CNOCC#N;VTXHFNNJFFYIKM-UHFFFAOYSA-N;126.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381676;MM381676;COCC(=NN)C(=O)NO;QIYLSECEEQEHEE-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381677;MM381677;CC(C)=CCC(C)(C)CO;DLVASXVLBJLUGG-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381678;MM381678;N=Cn1ncc(O)n1;LSSJTJFFDIAEJE-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381679;MM381679;CCCOC(=NC=O)NO;YNCJCSZTIFNLJK-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381680;MM381680;C=C(OC)C(CCO)=NO;QTKCUEMAOGQOCZ-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381681;MM381681;O=CN=C(NO)OCCO;JZYIVLGBZSGFIX-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381682;MM381682;C=C(CN)C(=NCC)NC;ABMDMLKCLOEGEU-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381683;MM381683;COCOC(=NC=O)NO;HVGWTVSYDZKVMJ-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381684;MM381684;CC1CC(O)C1C;FBIAJJOUKFHCRL-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381685;MM381685;CC(F)=CCC(C)(C)CO;KTYXTADVCJZCEV-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381686;MM381686;C=C(CN)C(=NNC)NC;GXZHOPBIZVPFJF-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381687;MM381687;C=NN=C(OC)OCCC;YQYGLHONMPCQND-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381688;MM381688;CCCC1CC1(C)O;WSXVVIODIONAKH-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381689;MM381689;C=NN=C(OC)OCCF;OGKUBOBNXRDJTA-UHFFFAOYSA-N;148.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381690;MM381690;C=CC1=CCC(O)C1;DCOPOFVJMULVDN-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381691;MM381691;C=CC=C(CC)CCC=C;LZOFEQNSDZQOPI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381692;MM381692;C=C(CC)C(=NOC)NN;MSUXCRZCKQNJIC-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381693;MM381693;CCC(=CC#N)CCC#N;IVXHQUUYALEZBX-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381694;MM381694;CC12C=CC(CO)(C1)C2;WYYDXDKUBIGRSE-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381695;MM381695;N#CC=C(CO)CCC#N;VZTKBAGFBCRWDU-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381696;MM381696;CCCCC1CC1(C)O;BXRPQEIMVAVFKI-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381697;MM381697;C=CC=C(CF)CCC=O;BXZZDZWEZIJMBK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381698;MM381698;CNC(=NOC)C(=O)CO;VBIHYNJSFOCYOU-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381699;MM381699;C=CCCC(=CC=O)CF;INQZKDLCZDDAFL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381700;MM381700;N#CC=C(CF)CCC=O;ZRVYYQPSWWVVAG-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381701;MM381701;CNN=C(OC)C(F)F;ZXYOQOCSYUZCPP-UHFFFAOYSA-N;138.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381702;MM381702;CNC(=CC=O)CCC=O;HHULWYOBDWIQDH-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381703;MM381703;CCN=C(NC)C(=N)NC;XTSICGAKLGHUKY-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381704;MM381704;CC(C)(CO)CC=C(F)F;JSQIXZZJQTUHHB-UHFFFAOYSA-N;150.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381705;MM381705;CCN=C(NC)C(=N)NO;YGFFFCHLPKFFET-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381706;MM381706;C=CCCC(=CC#N)OC;VNDKGUJNZOOEOU-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381707;MM381707;CCNC(=NN)C(=N)NC;BBWDVJVRNWHJNH-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381708;MM381708;COC(=CC=O)CCC#N;HEORIRYGFPQZPS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381709;MM381709;CCN=C(NO)C(=N)NC;RCASPXZOBHMXEL-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381710;MM381710;COC(=CC#N)CCC=O;LNFSQZNHBUZADQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381711;MM381711;C=C1C(C)=C(C)CC1O;ORZHGJUOJNXLLV-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381712;MM381712;C=CC=C(CC)CNC=N;PTHPZHYXPFBHLO-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381713;MM381713;CCN=C(NC)C(=O)NO;LVNANLQHUKWIOE-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381714;MM381714;C#CC(C)(CC)CC(C)O;ZIKCKEWCVNQVQB-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381715;MM381715;C=CC1C=C(C)C(O)C1;XSECIUIEHFNMDK-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381716;MM381716;CNC(=CC=O)CNC=O;UEGDDSQPQHXCDJ-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381717;MM381717;CCN=C(NN)C(=O)NO;MMTRJVFWHWONBD-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381718;MM381718;CCC1(CO)CC(C)(C)C1;NARAXVCUDAHPDM-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381719;MM381719;CNN=C(NC)C(=N)NC;KIZWPAZYSCDABA-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381720;MM381720;COC(=CC=O)CN=CN;AYRQKXCWVMVBDV-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381721;MM381721;CNN=C(NN)C(=N)NN;OZBRSZHDWFSINQ-UHFFFAOYSA-N;145.17;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381722;MM381722;C=CC=C(CC)COC=C;KFYJAYIIJJMYRM-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381723;MM381723;CNN=C(NO)C(=N)NC;MZNHRTDWHYIKHZ-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381724;MM381724;C=COCC(=CC#N)CC;JPTGZBMVPMAZEA-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381725;MM381725;C=CC1=CC(O)C(C)C1;HXOCLOINMUEMND-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381726;MM381726;C=CC=C(CN)COC=C;QESGNZBJSLCKKH-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381727;MM381727;CNC(=N)C(=NOC)NC;GVHZBFSBQPGUMJ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381728;MM381728;N#CC=C(CO)COC=O;OPSNPEZYSQSJHW-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381729;MM381729;CNC(=N)C(=NOC)NO;DQYOEGCTZXLDKM-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381730;MM381730;C=COCC(=CC=O)CF;XOKZVBIDEQRESD-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381731;MM381731;O=CCC1CCC(O)C1;FAEWYBCTELFVHF-UHFFFAOYSA-N;128.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381732;MM381732;C=COCC(=CC#N)CF;HFGPWUYNEVFQMT-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381733;MM381733;CC=CC1=CCC(O)C1;SZLAVZPSTJKERF-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381734;MM381734;C=CC=C(CC)CON=C;ZKKAVKQDDMMRMG-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381735;MM381735;CNC(=O)C(=NOC)NO;PDKCTJBINYABTP-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381736;MM381736;C=COCC(=CC=O)OC;XLJDNXMTPTVTKM-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381737;MM381737;C=C(OC)C(=NCC)NN;PJWOMNVAMBDWNC-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381738;MM381738;C=COCC(=CC#N)OC;FQQKKPAARIVXJC-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381739;MM381739;C=C(OC)C(=NCC)NO;OMMWQGVPYGBLAM-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381740;MM381740;C=CC=C(CON=C)OC;FUTDFOZPWLDARF-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381741;MM381741;CCN=C(NC)C(=O)OC;QYUIJXKLSQXRAA-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381742;MM381742;C=NN=C(CO)CCC=O;OSUXIMFWQHRTLQ-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381743;MM381743;C#Cc1cc(N)[nH]c1C;SXRIFXJNQSFOII-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381744;MM381744;C=NN=C(CCC=O)OC;GESFXEVHQCRTED-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381745;MM381745;CCOC(=CN)C(=O)CC;BCIHGYXUDFALRV-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381746;MM381746;C=NN=C(CC)CNC=N;YKFJAFKWCKYXDX-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381747;MM381747;CCOC(=CN)C(=O)CO;SOEPJRGBFGBYDM-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381748;MM381748;CC(C)(O)CC=CCC=O;FNUWUYHPMFMBRP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381749;MM381749;CC=C(OCC)C(=N)NC;GCXWQSDRCDHUTI-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381750;MM381750;C=NN=C(CN)CNC=N;FAPIBJBWQXPXMA-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381751;MM381751;CC=C(OCC)C(=N)NO;KYDDMYAGRGEGKO-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381752;MM381752;C=NN=C(CF)CNC=O;WBQUAJWZBMPWGF-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381753;MM381753;CCOC(=CN)C(=N)NN;WFKYUMBTJJXMKS-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381754;MM381754;C=COCC(CO)=NN=C;IWELNHDSVMDUKX-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381755;MM381755;CCOC(=CN)C(=N)NO;RVPPOTANNMJCES-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381756;MM381756;C=NN=C(CC)CON=C;CDXBKWCPUJLFGE-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381757;MM381757;CCOC(=CF)C(=N)NC;MLJZAARFWBQNLI-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381758;MM381758;C=COCC(=NN=C)OC;RZFAXEIJIGQNIW-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381759;MM381759;CC=C(OCC)C(=O)NC;QYAABNOTXAQMAT-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381760;MM381760;CCC(=CC=O)NCC=O;YPGBZYNOPLVLIO-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381761;MM381761;CCOC(=CN)C(=O)NC;KDHNMDWLOUZDNH-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381762;MM381762;CCC(=CC=O)NCC#N;ZAHCPNHIHXWRTC-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381763;MM381763;CC1=CC2(CO)CC1C2;GBMQULQDKWZVOH-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381764;MM381764;CC(=O)C=NOCC(F)F;KDWNGXNGTZFAQU-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381765;MM381765;CCOC(=CN)C(=O)NO;NFLUJFKDEDPSGZ-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381766;MM381766;CCC=CCC(C)(C)CO;CHDKHGBIHRSWGO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381767;MM381767;CCOC(=CN)C(=O)OC;UBWUCBNWCMEMRO-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381768;MM381768;C=CCNC(=CC#N)NC;LAIROISGOKPPQD-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381769;MM381769;C=C(CN)C(=NO)OCC;LMENYRYNGQHOPN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381770;MM381770;C=CCNC(=CC=O)OC;MVBGLFSBUKOYLF-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381771;MM381771;C=C(CF)C(=NO)OCC;SKEIWNGLJQLDFF-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381772;MM381772;C=CCNC(=CC#N)OC;SJVRYROOLMSOPW-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381773;MM381773;C=CC1C=CC(O)C1C;CMWIPHPMWSTBBG-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381774;MM381774;O=CC=C(CO)NNC=O;GIUFOGXYPCHYRU-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381775;MM381775;CCOC(=NO)C(=N)NC;SMXQRITZRGLZFZ-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381776;MM381776;N#CC=C(CO)NNC=O;YAYRUXLFQRVILW-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381777;MM381777;CCOC(=NN)C(=O)NC;RHIOHCNMWQITBE-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381778;MM381778;CNC(=CC#N)NNC=N;ZIADLLUYOZNAIC-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381779;MM381779;CCOC(=NN)C(=O)NN;GVWCJAGJMKOJIG-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381780;MM381780;COC(=CC=O)NNC=O;SVCKQANRLDKSNP-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381781;MM381781;CCOC(=NO)C(=O)NN;SGTOXXNPBPKASW-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381782;MM381782;C=CC=CCC(C)(C)CO;JSFXYTISRPOPHS-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381783;MM381783;C=CC1=C(C)C(O)CC1;SKHLQIATWCDHIN-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381784;MM381784;O=CCN=C(CO)NC=O;SXUAIVHBGPWCFR-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381785;MM381785;C=C(OC)C(=NO)OCC;UNFCNDGTRYSWKY-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381786;MM381786;C=CCN=C(CF)NC=N;YHUBTMLBBLFORS-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381787;MM381787;C=C(CC)C(=CC)CC=O;ZSXXSBAKPZANET-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381788;MM381788;N=CNC(CF)=NCC=O;YIUPFFXNHFGNGR-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381789;MM381789;C=C(CC)C(=CF)CC=O;UUWZHPZHEOMRGL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381790;MM381790;N#CCN=C(CF)NC=O;GWJGMRPTVBMQPR-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381791;MM381791;C=CCC(=CF)C(=C)CN;ZFLCICNNZADEAD-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381792;MM381792;CNC(=NC=N)NCC=O;BCXYIHLWKXBUCO-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381793;MM381793;C=C(CO)C(=CF)CC#N;SEKBGOBBXRFVRY-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381794;MM381794;CC(C)(CO)CC=CC#N;FRMLWLQSTYYGRQ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381795;MM381795;CC=C(CC=O)C(=O)CO;AFWNLNFNNPVCHJ-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381796;MM381796;CCC(=NNC=N)NC=N;RTYFJBMTGWGKBA-UHFFFAOYSA-N;141.18;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381797;MM381797;CC=C(CC#N)C(=O)CO;IDDOXUHJISQUMC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381798;MM381798;CCC(=NNC=O)NC=N;IWOYWBDGPRCZDC-UHFFFAOYSA-N;142.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381799;MM381799;C=CCC(=CC)C(=O)CF;BEOJIOHQFNWBDU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381800;MM381800;CCC(=NNC=O)NC=O;FLAOOKJSDPTZGF-UHFFFAOYSA-N;143.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381801;MM381801;N#CCC(=CN)C(=O)CF;PMTQCXYQVMORHH-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381802;MM381802;C=NNC(CC)=NNC=O;FVFXOGKICFEZNH-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381803;MM381803;CC=C(CC=O)C(N)=NC;AWNUFELNPPLVIA-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381804;MM381804;C=NN=C(CO)NNC=N;BNXPKRMRCNIKAL-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381805;MM381805;C=CCC(=CC)C(=N)NN;XMEWONHYXHISGQ-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381806;MM381806;C=NNC(CF)=NNC=O;YGQNHZBFIAGGBT-UHFFFAOYSA-N;146.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381807;MM381807;C=CCC(=CC)C(=N)NO;YNSPOMOPTBUODF-UHFFFAOYSA-N;140.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381808;MM381808;CNC(=NC=N)NNC=N;IYOMEYMISTXGAD-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381809;MM381809;N#CCC(=CN)C(=N)NO;JLQPTYPEIYYKON-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381810;MM381810;N=CN=C(NN)NNC=N;LSHQJSLNDOJRRH-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381811;MM381811;CNC(=N)C(=CF)CC#N;YNZITKODOUKXRI-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381812;MM381812;N=CN=C(NN)NNC=O;RGKAOBBXRNGJGF-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P4";;;;;;;-3.17;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381813;MM381813;C=CC(C)N1CC1C=O;SFBOFKGTZKQYDK-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381814;MM381814;N=CNNC(=NC=O)NN;LVADSXRENFAUFH-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381815;MM381815;C=CCC(=CC)C(=O)NO;VSJGJIYJUBYYMT-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381816;MM381816;N=CN=C(NO)NNC=N;HOYWLVUXOYFPNC-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381817;MM381817;C=C(OC)C(=CC)CC=O;XDZWQNOWIIJXPB-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381818;MM381818;N=CNNC(=NC=O)NO;KRKKLQAAJGGDBU-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381819;MM381819;CC=C(CC=O)C(=O)OC;BXBOGUWEJXKJOO-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381820;MM381820;C=NN=C(NC)NNC=N;FHYOQDQADASTKG-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381821;MM381821;C=C(CO)C(CC=O)=NO;FTQPPRXGRNIVDD-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381822;MM381822;COC(=NC=N)NNC=N;QLQNXYRSYQLBLY-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381823;MM381823;C=CC=NOC(C)C(=O)O;KWHOPWSGSDIHQL-UHFFFAOYSA-N;143.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381824;MM381824;C#CC=CCC(C)(C)CO;QEFPQSYWBTZXNH-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381825;MM381825;C=C(C)C(=CNC)C(=O)O;BOSPUWNXEBROLC-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381826;MM381826;COC(=NC=O)NNC=N;UJDLXKLTSLZELV-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381827;MM381827;CNC(=O)C(CC=O)=NO;KSLUMSFWHWORLG-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381828;MM381828;COC(=NC=O)NNC=O;ONOQWXHEDITUBN-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381829;MM381829;N=c1c(=NO)o[nH]n1O;NCGJSKBAZGSMOF-UHFFFAOYSA-N;132.08;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381830;MM381830;C=NN=C(NNC=O)OC;ZFRGGJAKVFJKOY-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381831;MM381831;CCC(=O)C(=CN)NC=O;WGOOWZMUHZSLTA-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381832;MM381832;CCC(=NOC=O)NC=O;DGJRRRBQLBTXKR-UHFFFAOYSA-N;144.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381833;MM381833;NC=C(NC=O)C(=O)CF;CRXJDRBVMJUIMI-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381834;MM381834;CNC(=NC=N)NOC=O;NZWZLQJDDVDVER-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381835;MM381835;CC=C(NC=O)C(=N)NN;RQXBHTOSVKEIDP-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381836;MM381836;O=CN=C(NO)NOC=O;MAMFIYRUPQRJTO-UHFFFAOYSA-N;147.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381837;MM381837;CC=C(NC=O)C(=N)NO;KIZIXQWGIZRZEE-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381838;MM381838;C=CC=C(CC)OCC=C;JPQIIHBCSLWADS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381839;MM381839;CNC(=N)C(=CN)NC=N;VPHHRPVYUDPFMH-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381840;MM381840;CCC(=CC#N)OCC=O;SVNUJKGUFGJBDQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381841;MM381841;CNC(=N)C(=CN)NC=O;NEQVLUHSMZKQOS-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381842;MM381842;C=CC=C(CO)OCC#N;HGHSKIYVGGPNSY-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381843;MM381843;N=CNC(=CN)C(=N)NN;ODYTYRQSLFUMQY-UHFFFAOYSA-N;142.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381844;MM381844;O=CC=C(CO)OCC=O;DKCPTJGNEGBOBY-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381845;MM381845;N=C(NN)C(=CN)NC=O;OIDIFFLFOCHRNJ-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381846;MM381846;C=NN=C(CC)OCC#N;IDRGCGARHXXEAY-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381847;MM381847;N=CNC(=CN)C(=N)NO;QYSCKXUQSWPMLK-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381848;MM381848;C=CCOC(CO)=NN=C;RAXCJFJNWYHTSL-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381849;MM381849;N=C(NO)C(=CN)NC=O;LDVBJCGUOYFROJ-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381850;MM381850;C=NN=C(CF)OCC#N;OYTVGPKMQUKXLD-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381851;MM381851;CNC(=N)C(=CF)NC=N;KBBRUIJEDPUUBM-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381852;MM381852;C=C(C)C=CC(O)C(C)C;NYUIJSTZMYWUFD-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381853;MM381853;N=CNC(=CF)C(=N)NN;KPFCRZDXJSBMRR-UHFFFAOYSA-N;145.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381854;MM381854;C=C(CC=O)CC(O)CC;HEISILRJXCIGPT-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381855;MM381855;N=C(NN)C(=CF)NC=O;HXSHBRJJQTWBPL-UHFFFAOYSA-N;146.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381856;MM381856;CCC(O)CC(C)=CC#N;DJQCNLRBWQBLKH-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381857;MM381857;N=CNC(=CF)C(=N)NO;LFLVIPNDMFNQQI-UHFFFAOYSA-N;146.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381858;MM381858;O=CCOC(=NC=O)NO;FCCKAEKOQCQYQJ-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381859;MM381859;CC=C(N=CN)C(=O)NN;WOCKRTILOZWPMA-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381860;MM381860;C=CCCNN=CC(C)=O;LYENMKLJZUMRFW-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381861;MM381861;CNC(=O)C(=CN)NC=O;UQRYONWRYYUZQL-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381862;MM381862;CC#CC(C)NN=COC;PZEMRVWHWINPBW-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381863;MM381863;C=CC(C)=CC(C)(O)C=C;PESLCSWSYGOLON-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381864;MM381864;C=CCOC(=NN=C)OC;YGTNCMRDAOXPNT-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381865;MM381865;NC=C(NC=O)C(=O)NO;OOIOHFHLIOCFJP-UHFFFAOYSA-N;145.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381866;MM381866;C=NN=C(OC)OCC=O;GBPBBWMLUSKLOD-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381867;MM381867;CNC(=NC=O)ONC=O;NPLMNABPKZLAIP-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381868;MM381868;NNC(=O)C(=CF)NC=O;CZCBPCMXQBWWRS-UHFFFAOYSA-N;147.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381869;MM381869;N=CN=C(NN)ONC=O;ONDTYRFAFVEYCF-UHFFFAOYSA-N;145.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381870;MM381870;CC=C(NC=O)C(=O)OC;XBWYJYJJWPTJLM-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381871;MM381871;NNC(=NC=O)ONC=O;BRMITLDRZJQMTH-UHFFFAOYSA-N;146.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381872;MM381872;C=C(CC)C(=NC)NC=N;KWXLGOFTSZCHLC-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381873;MM381873;N=CN=C(NO)ONC=O;ROZSAYUOWSDYMJ-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381874;MM381874;C=CC(C)(O)CC=CC#N;IIPWTMHDINFNAV-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381875;MM381875;O=CN=C(NO)ONC=O;ZURIZMGOMOKHTC-UHFFFAOYSA-N;147.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381876;MM381876;C=CNC(=NN)C(=C)CO;ZHBGHOVBWNQFKP-UHFFFAOYSA-N;141.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381877;MM381877;C#CCCC(=CC=C)CC;DYMROUCJBRCCGZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381878;MM381878;C=C(CN)C(=NO)NC=O;DKAARLXTCHOJOO-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381879;MM381879;C#CCCC(=CC#N)CC;AQRXAUAQFUMAOS-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381880;MM381880;C=C(C#CC)C(C)(O)CC;ABPMTWQDDGHINS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381881;MM381881;C#CCCC(=CC=O)NC;XFHYREZCLYENDG-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381882;MM381882;C=CNC(=NO)C(=O)CC;PCWGHVJRWSRYIK-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381883;MM381883;C#CCCC(=CC#N)OC;LCGWERGAFXLLNC-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381884;MM381884;C=C(C)C(O)CC=C(C)C;CSASCUZDIRYDDE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381885;MM381885;C#CCCC(=NN=C)OC;YBKZQCZPVBPWIJ-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381886;MM381886;CN=C(NC=O)C(=N)NC;NNEIWYQFDFDZSH-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381887;MM381887;C#CCNC(=CC=O)CC;RPSXKNYXZIROHJ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381888;MM381888;CN=C(NC=O)C(=N)NN;JNVMJQPTMHUPAX-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381889;MM381889;C#CCNC(=CC=O)CO;YUVINKIVFJICGU-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381890;MM381890;CNC(=N)C(=NN)NC=O;HQUFQPWJZGILIF-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381891;MM381891;CCC#CCC(O)C(C)C;JTPWBWSRKUYKNU-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381892;MM381892;CNC(=N)C(=NO)NC=O;IFAWHOYDCJGHLD-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381893;MM381893;C#CCNC(=CC=O)NC;MKEGUHGVNILJBP-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381894;MM381894;C=CNC(=NC)C(=O)NO;XABJXPDOJNKTIG-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381895;MM381895;C#CCN=C(CO)NC=N;SQOXLPBZWLXDOY-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381896;MM381896;CC(=O)C(C)=NOC(C)C;ZVEGGIMZXLQSBC-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381897;MM381897;C#CCN=C(CO)NC=O;UXHGHCGQPIBUOF-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381898;MM381898;CC#CC1(C)CC(O)C1C;PCPJSTDOOOZVIM-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381899;MM381899;CC(=CC#N)C(C)C(C)O;YMWJRPLMBBIVPJ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381900;MM381900;NN=C(NC=O)C(=O)NN;OKZJXSADOXGSAJ-UHFFFAOYSA-N;145.12;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381901;MM381901;C#CCNC(=NC=N)NN;DOXZJGNTHQFRTE-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381902;MM381902;C=CNC(=NN)C(=O)NO;WTIHFYFNKQRVIE-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381903;MM381903;CCCc1cc(C)c(N)[nH]1;CRLWYPPLFXHBQL-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381904;MM381904;NN=C(NC=O)C(=O)NO;XGUNAFNREVAHHY-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381905;MM381905;CCC1C=CC(C)(CO)C1;SBISZQPQMWDJME-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381906;MM381906;CNC(=O)C(=NO)NC=O;MZFJQSZVFGRBOH-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381907;MM381907;C#CCOC(=CC=O)CO;ZKBUWOXVZIZBCH-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381908;MM381908;C#CC(=C)C(C)CC(C)O;LBUGHQPHAGZJBD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381909;MM381909;C#CCOC(=CC#N)NC;OOHHQVNCUVTIJW-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381910;MM381910;NNC(=O)C(=NO)NC=O;PKNSSVKIONBXSZ-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381911;MM381911;CC1(CO)C=CC(CF)C1;FERRGZTWTMOOIV-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381912;MM381912;O=CNC(=NO)C(=O)NO;JGWLRKFCGXOLTP-UHFFFAOYSA-N;147.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381913;MM381913;CCC1=CC(C)(CO)CC1;POYPALFODTZCPN-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381914;MM381914;C=CN=C(NC)C(=C)OC;QXPDKYGNBGGINO-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381915;MM381915;CC1(CO)C=C(CF)CC1;HZJZCRJIBWRQQY-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381916;MM381916;C=C(OC)C(=NC)NC=O;RAXVPJLFHKWHBN-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381917;MM381917;C=CC1CC(C=C)(CO)C1;CSZKYJFIXOZIBB-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381918;MM381918;C=C(OC)C(=NN)NC=O;TVBIPAOZYFLZMG-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381919;MM381919;C#CCOC(=NN=C)OC;SUIPCDJYEQRJTQ-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381920;MM381920;C=C(OC)C(=NO)NC=O;ITEUAWBXLHXMMT-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381921;MM381921;C#CC=C(CC)CCCC;MIEUASJOANLMMV-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381922;MM381922;CN=C(NC=O)C(=O)OC;VYTTYVJFGRFQOI-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381923;MM381923;C#CC=C(CC)CCCN;HWXKZVBXFXMZGW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381924;MM381924;C#CCC(CC)CC(C)O;APWZREOMHRBJHM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381925;MM381925;C#CC=CC(O)C(C)CC;PHAHJTYCMBGGCN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381926;MM381926;COC(=O)C(=NN)NC=O;KYSJMNGIZDDMDJ-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381927;MM381927;C#CC=C(CC)CCCF;CQCXPDJATCHOHD-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381928;MM381928;C=COC(=CN)C(=O)CC;SPDWCGUCHXMYFH-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381929;MM381929;C#CC=C(CN)CCCC;KFKCRWGFMYKKSG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381930;MM381930;NC=C(OC=O)C(=O)CF;VWVNPPNDAOQKTM-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381931;MM381931;C#CC=C(CN)CCCN;AWANNEGHHGZALQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381932;MM381932;O=COC(=CF)C(=O)CO;RRALPTDUUDDVQE-UHFFFAOYSA-N;148.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381933;MM381933;C#CC=C(CO)CCCC;LXJAPXCGLHPJGJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381934;MM381934;C=COC(=CC)C(=N)NC;LXZFMZKIRYMNTB-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381935;MM381935;C#CC=C(CF)CCCC;UNWSEAFPVWVIPZ-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381936;MM381936;C=COC(=CC)C(=N)NN;VXZLKBSSUICZJS-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381937;MM381937;C#CC=C(CF)CCCN;GYMHRRVSYMEGSY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381938;MM381938;C=COC(=CC)C(=N)NO;WDFYEIQBYIBGOJ-UHFFFAOYSA-N;142.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381939;MM381939;C#CC=C(CC)CCNC;HACOTPPZXIKHSM-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381940;MM381940;CNC(=N)C(=CN)OC=O;MUCMNYCXZVDTFY-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381941;MM381941;C#CC=C(CCCC)OC;AXTJWTBGHXJJTI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381942;MM381942;C=COC(=CF)C(=N)NC;XDISTLJZWBQFSN-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381943;MM381943;C#CC=C(CCCN)OC;ZZLWIGASJMFSCX-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381944;MM381944;C=COC(=CC)C(=O)NO;RUMDTWFPTROSHC-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381945;MM381945;C#CC=C(CCCO)OC;ITQDZMKIJLMFKK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381946;MM381946;C=COC(=CF)C(=O)NC;NZTPWPABKWMYIR-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381947;MM381947;C#CC=C(CCNC)OC;MIUQBVOWJJNDIK-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381948;MM381948;C=COC(=CC)C(=O)OC;UAVNDIGPCHQSEL-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381949;MM381949;C#CC=C(CCOC)OC;BJZPNMNZCYYLDF-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381950;MM381950;C=COC(=CF)C(=O)OC;NTOYGQPCWRDJCN-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381951;MM381951;C#CC=C(CC)CNCC;JGBHTJFMGXZBSK-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381952;MM381952;C#CCCCC1CC1(C)O;PATMXVGHXBKUNN-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381953;MM381953;C#CC=C(CC)COCC;RHLCHJPACUBWAV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381954;MM381954;CON=C(N)COCC=O;QYYYCFTVWLREEK-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381955;MM381955;C#CC=C(CN)COCC;SIOGYWXZXPBCJE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381956;MM381956;C=C(CN)C(=NO)OC=O;CTABSZTULCZUNL-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381957;MM381957;C#CC=C(CO)COCC;KRYGACYBXALAOB-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381958;MM381958;C=COC(=NO)C(=C)CF;MVJNUHMDKWYIKL-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381959;MM381959;C#CC=C(COCC)OC;DCSXJOJYQXWIPA-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381960;MM381960;CCOCC(N)=CC(=O)O;PGCCLVIEGHTBOQ-UHFFFAOYSA-N;145.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381961;MM381961;C#CC=C(CC)OCCN;LBYZPJDNSKNHEE-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381962;MM381962;NN=C(OC=O)C(=O)NN;DSUOFWBYJIUIIC-UHFFFAOYSA-N;146.11;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381963;MM381963;C#CC=C(CC)OCCO;WUNRWLGULMQXKO-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381964;MM381964;CCCON=C(C)C(C)=O;AZGDWRHHQMNQJC-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381965;MM381965;C#CC=C(CN)OCCC;VIIMXLDMASKSGS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381966;MM381966;C=COC(=NO)C(=C)OC;OMVFSLDXZUWGHU-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381967;MM381967;C#CC=C(CN)OCCN;NGOZPBVCQAPFSV-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381968;MM381968;CN(C=NN)OCC(=O)O;DAESRCOIFQPMOP-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381969;MM381969;C#CC=C(CO)OCCC;ARQVEFXOZNIJJT-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381970;MM381970;C#CCC(=CC)C(=C)CO;AVGSHEBUROPMPK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381971;MM381971;C#CC=C(CC)CCC=C;OPGQVXDBUFOYHP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381972;MM381972;C#CCC(=CF)C(=C)CN;DEMOLHVHBOLGHZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381973;MM381973;C#CC=C(CC)CCC=O;NUXDYDPBZOPQTL-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381974;MM381974;C#CCC(=CC)C(=O)CO;PQEHKZOWLGXKTN-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381975;MM381975;C#CC=C(CC)CCC#N;AQMPDRRJOGQNLU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381976;MM381976;C#CCC(=CN)C(=O)CO;WGWGDNSYILTSPW-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381977;MM381977;C#CC=C(CO)CCC=C;VUBNNGOZGZSFFI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381978;MM381978;C#CCC(=CF)C(=O)CO;VKTORGQNTZPXAD-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381979;MM381979;C#CC=C(CF)CCC#N;UTXAXZORENGKBI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381980;MM381980;C#CCC(=CC)C(=N)NN;YTOIWKOORYAZGD-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381981;MM381981;C#CC=C(CCC=C)OC;QNBRTGBKRPRZCU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381982;MM381982;C#CCC(=CC)C(=N)NO;NWAJJPDFFZWZEA-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381983;MM381983;C#CC=C(CCC#N)OC;PHAFAERVJNRGON-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381984;MM381984;C#CCC(=CN)C(=N)NN;LDNLLFCPBMLXAN-UHFFFAOYSA-N;138.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381985;MM381985;C#CC=C(CC)CNC=N;FTHIJENIIVKWKZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381986;MM381986;COC=NNCC(F)=CF;ZWMHONPIBDUVPL-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381987;MM381987;C#CCC(=CN)C(=N)NO;MYUGTPQRFCFCSU-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381988;MM381988;C#CC=C(CN)CNC=N;AJQOXOZQJXQIHU-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381989;MM381989;CNN=C(CC=O)NOC;ZIRXWODAYJAIRB-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381990;MM381990;C#CC=C(CN)CNC=O;NWGXUVJXSDKQSE-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381991;MM381991;C#CCC(=CC)C(=O)NO;ZMXJHFRKMPHWDO-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381992;MM381992;C#CC=C(CF)CNC=O;NDKAYPAUCPPJIP-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381993;MM381993;CCOC(=NNC)C(F)F;KMOHNKCCLVKEFS-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381994;MM381994;C#CC=C(CN)CNN=C;PQLCOGVVJIFHLZ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381995;MM381995;C#CCC(=CF)C(=O)OC;BWJUBFFPMRQJBV-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381996;MM381996;C#CC=C(CC)COC=C;QCVRGFVMQUJCOA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381997;MM381997;C#CCC(=NNC)C(C)=O;XTNJNBQDTZMHFD-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381998;MM381998;C#CC=C(CN)COC=C;SPKOJOHDMMBKNP-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM381999;MM381999;C#CCC(=NN)C(=O)NO;YRCXRMBLGKRHBH-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382000;MM382000;C#CC=C(CF)COC=C;IPHNOPPTOYXNOE-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382001;MM382001;CC=CC1=CC(O)C(C)C1;STWMAFSGTMXCLM-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382002;MM382002;C#CC=C(CF)COC=O;QTACBDIGPNUTAF-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382003;MM382003;CC=CCC(=O)C(=O)O;XGNKMQBCAVIQOR-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382004;MM382004;C#CC=C(CN)CON=C;AUGHJZFFOMJGEG-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382005;MM382005;C=C(C=O)C(=CC)CCF;YMJXTDUBIMDHMD-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382006;MM382006;C#CC=C(COC=C)OC;NMGKXNPGUSVUJG-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382007;MM382007;C=CC(=C)C(=CF)CCF;XHQGACWSGXMUGY-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382008;MM382008;C#CC=C(COC=O)OC;GTDOFGPGRCXXFB-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382009;MM382009;C=C(C=O)C(=CF)CCF;NAYZUVNXKQBTDB-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382010;MM382010;C#CC=C(CON=C)OC;LYXUMPFRCNITDM-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382011;MM382011;CC=C(CCC)C(=O)C#N;KIXVKJZPEPADNF-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382012;MM382012;C#CC=C(CC)OCC#N;OKGNMVQRLQYFFK-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382013;MM382013;CCCC(=CN)C(=O)C#N;IARBYHPWWNGGAH-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382014;MM382014;C#CC=C(CO)OCC=C;OKWMUPNYCRTAPO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382015;MM382015;C=CC(=O)C(=CF)CCF;VDALBFJHDBWGJJ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382016;MM382016;C#CC=C(CO)OCC=O;JURDIKYABLTQIZ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382017;MM382017;N#CC(=O)C(=CF)CCO;OLUJUZVLJZYPTK-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382018;MM382018;C#CC=C(CC)CCC#C;GXZWSWBIWHIIRC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382019;MM382019;C=C(C=O)C(=CC)CNC;IASLBTLPHDPCFK-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382020;MM382020;C#CC=C(CN)CCC#C;VGNCNLIPEKFXCC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382021;MM382021;C=C(C#N)C(=CC)CNC;KHBNUDMXOKBJJZ-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382022;MM382022;C#CC=C(CO)CCC#C;JOQOBEKWKPXIDL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382023;MM382023;C=CC(=C)C(=CF)CNC;HZYCDASOIOTKKD-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382024;MM382024;C#CC=C(CO)OCC#C;KUEWSRQPPUYJHL-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382025;MM382025;C=CC(=O)C(CCC)=NO;QJOWNHLTOGUKGB-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382026;MM382026;C=CC(=CCC)CCCC;KTHBYIDTBCKVPU-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382027;MM382027;C=CC(=O)C(CCO)=NO;OKJBQZLRIGKNGO-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382028;MM382028;C=CC(=CCC)CCCN;AJKWSBHRJJQZSM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382029;MM382029;COC(=O)CC(F)C(=O)O;CGDBKYFIPDELIA-UHFFFAOYSA-N;150.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382030;MM382030;C=CC(=CCC)CCCF;XCHHZCMMRKHGBY-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382031;MM382031;COC(C=O)C1NC1(C)C;ALTBYBWUYFLNAD-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382032;MM382032;C=CC(=CCN)CCCC;UBNIAEVASQYAMQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_N0";;;;;;;2.87;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382033;MM382033;C=CC(C)CCC1(O)CC1;SFJQNPHZPVPLGU-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382034;MM382034;C=CC(=CCN)CCCN;KRRYYRKNJKUYBO-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382035;MM382035;CCC12C=CC(CO)(C1)C2;TUZNSRGOFUFFOS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382036;MM382036;C=CC(=CCN)CCCO;QNGVOBWGPXPMIO-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382037;MM382037;OCC12C=CC(CO)(C1)C2;STIREEMPRUOKKL-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382038;MM382038;C=CC(=CCN)CCCF;XNGPIFOZHGFJAB-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382039;MM382039;OCC12C=CC(CF)(C1)C2;CSZYSIUWESSVSX-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382040;MM382040;C=CC(=CCO)CCCO;MUBGLGFZHKRVCJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382041;MM382041;CNN=C(NO)C(=O)C=O;YLKGPBMEWWWEPP-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382042;MM382042;CCC=C(C=O)CCCC;QAHYBBDZSSXSHR-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382043;MM382043;C=C(C=O)C(=NOC)NC;IADYRRGMEFQGMT-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382044;MM382044;CCC=C(C#N)CCCC;CLEUBDWCWBZJGS-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382045;MM382045;CC=NN=C(C=NN)NN;YLXLJSQKQWEQMY-UHFFFAOYSA-N;142.17;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382046;MM382046;CCC=C(C#N)CCCF;NSKNRVBHWTTWTJ-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382047;MM382047;C=CC(=C)C(=NOC)NN;OGKHZYQYRIQAFO-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382048;MM382048;CCC=C(C=O)CCNC;CQKIKVOLJZCLBV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382049;MM382049;NN=c1nc(N)nnn1N;VYGNJYLNLVCCHD-UHFFFAOYSA-N;142.13;-3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382050;MM382050;CCC=C(C#N)CCNC;IUJTTWVSVGVIOL-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382051;MM382051;C=CC(=O)C(=CN)OCC;SIHCQYOBZCAJTO-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382052;MM382052;C=CC(=CCO)CCOC;OKZVHWDYZNFINB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382053;MM382053;CC(C)c1oc(=O)oc1O;ZLLFLQXTSYTGEO-UHFFFAOYSA-N;144.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382054;MM382054;CCC=C(C=O)CCOC;PYGXRNTZZJBURT-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382055;MM382055;C=CC(=C)C(=CC)CC=O;UUVPQMVSLKZRBU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382056;MM382056;CCCCC(C=O)=CNC;LYADOGANBKXMJQ-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382057;MM382057;C=CCC(=CC)C(=C)C=O;UFMZOJDWJHADFG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382058;MM382058;C=CC(=COC)CCOC;RPGGEJAKGGSLSJ-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382059;MM382059;C=CCC(=CC)C(=C)C#N;QYCLZVDIVMRLBG-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382060;MM382060;COC=C(C#N)CCOC;IMLLWGRUTCSETI-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382061;MM382061;C=C(C#N)C(=CC)CC=O;UJTWQSACWIFJBZ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382062;MM382062;C=CC(=CCN)CNCC;ZHGOOVPYJQRFAF-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382063;MM382063;C=CC(=C)C(=CF)CC=O;CMQRDGKKNWWLBK-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382064;MM382064;CCC=C(C=O)CNCC;DEGXAXZTMLDWOB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382065;MM382065;C=CCC(=CF)C(=C)C=O;AYDNJAQXJJIUCM-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382066;MM382066;CCNCC(C=O)=CCO;ZJIRSWPKBQAOEI-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382067;MM382067;C=C(C#N)C(=CF)CC=O;PFVSAVJPEMQKAF-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382068;MM382068;C=CC(=CCC)COCC;CCGIVQSGYCCNEY-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382069;MM382069;C=CCC(=CC)C(=O)C=C;TZFAEIYKHWUMNN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382070;MM382070;C=CC(=CCN)COCC;LMMNZESTVAEBCD-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382071;MM382071;C=CC(=O)C(=CC)CC=O;PTJNBKYOBOWOEJ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382072;MM382072;C=CC(=CCO)COCC;GPUNKEHONYSVHL-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382073;MM382073;C=CC(=O)C(=CC)CC#N;FQHQHPUBVVSNEU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382074;MM382074;C=CC(=COC)COCC;JXMOXKXZFYHIQR-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382075;MM382075;C=CCC(=CC)C(=O)C#N;KMSHWSSQOXCHDJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382076;MM382076;CCOCC(C#N)=COC;TVXOUBKYDAZBIS-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382077;MM382077;CC=C(CC=O)C(=O)C#N;YDFGIAATMSNLJU-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382078;MM382078;C=CC(CCCC)=NNC;SWHGCNPLXHSYSE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382079;MM382079;C=CC(=O)C(=CF)CC=O;XIWQOKFKCGVNCP-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382080;MM382080;C=CC(CCCN)=NNC;NTQCORFYDDJSFY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382081;MM382081;C=CCC(=CF)C(=O)C#N;WBLCEASVRJABLR-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382082;MM382082;C=CC(CCCC)=NOC;SSXCNTNCVRRQPV-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382083;MM382083;O=CCC(=CF)C(=O)C=O;DJUDBHJUMWNXHT-UHFFFAOYSA-N;144.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382084;MM382084;CCCCC(C#N)=NOC;ZNQJYIJJXXMYNL-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382085;MM382085;N#CCC(=CF)C(=O)C=O;HANYXUORDQOVPO-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382086;MM382086;C=CC(CCOC)=NOC;ILHDSYOJTJMDSJ-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382087;MM382087;C=CC(=C)C(CC=O)=NO;SJSJWRWZJSNJTA-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382088;MM382088;COCCC(C=O)=NOC;KEPOGFUFTRFZRE-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382089;MM382089;C=CCC(=NO)C(=C)C#N;GLWHEHGVOXPVES-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382090;MM382090;CCC(O)CC=CCC=O;ZERGBFZULGUWDE-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382091;MM382091;C=CCC(=NO)C(=O)C=C;LZNCUZHCADPWTK-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382092;MM382092;C=CC(COCC)=NOC;POVMLLSSFJMQTB-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382093;MM382093;O=c1nn[nH][nH]1;JXBKZAYVMSNKHA-UHFFFAOYSA-N;86.05;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382094;MM382094;CCOCC(C#N)=NOC;FKWLMENOMSVZML-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382095;MM382095;C=C(C#N)C(=CF)NC=N;CXQSFPXJGKRDFW-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382096;MM382096;C=NNCC(=NNC)NN;JBSOZBSMTMDJBO-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382097;MM382097;C=CC(=O)C(=CN)NC=N;IFAZSTJFBMXNRA-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382098;MM382098;C=CC(=NNC)NCCN;JFJQCZGWJQQNLJ-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382099;MM382099;NC=C(NC=O)C(=O)C=O;GCENXOBHHYJMNZ-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382100;MM382100;C=CC(=NNC)NCCO;VUZONXLNZZGUEQ-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382101;MM382101;C=CC(=C)C(=NN)NC=N;SSFXLKPASQGXDS-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382102;MM382102;C=Cc1[nH]c(N)c(C)c1C;AFGJSMLNUNYNIC-UHFFFAOYSA-N;136.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382103;MM382103;C=C(C#N)C(=NO)NC=O;FLCFFLNCBFTTLA-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382104;MM382104;CCC(=NN)ON=CNN;FTVMROZABNQUAO-UHFFFAOYSA-N;145.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382105;MM382105;C=CC=NOC(C=C)C=O;NOVDFJMSNAOAES-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382106;MM382106;NN=C(NN)ON=CCF;WAOCVHGDJRMYJG-UHFFFAOYSA-N;149.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382107;MM382107;C=CC(CO)C(=C)C=CF;SSTQUGSUOABUPC-UHFFFAOYSA-N;142.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382108;MM382108;CC=NN=CC(C=O)NC;OIWFZEHTWMQRAK-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382109;MM382109;C=COC(=CF)C(=O)C#N;TVACUNOZMMRDKX-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382110;MM382110;C#CCNN=C(CC)OC;XUBSVJQZIPTOLP-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382111;MM382111;C#CCC(=CF)C(=C)C=O;JODZJRUOERQFAG-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382112;MM382112;CC=NNC=C(C=O)OC;NOTNAFAFZZQDCJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382113;MM382113;C#CCC(=CF)C(=C)C#N;IKZOXCHBDDLFJH-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382114;MM382114;C=CC(=CCO)OCCO;XGBBYJGKZDULIZ-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382115;MM382115;C#CCC(=CC)C(=O)C=C;MTDZGHMYCQFWKU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382116;MM382116;CCCOC(C=O)=CCO;DKPJHNNIKUYZTB-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382117;MM382117;C#CCC(=CF)C(=O)C#N;JQRWMALFTZSEQB-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382118;MM382118;O=CC(=CCO)OCCO;UMUFLLZCIKGNSY-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382119;MM382119;N#CC(=CCO)OCCO;KCVGUDLVCNWSAC-UHFFFAOYSA-N;143.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382120;MM382120;C#CC(=C)C(=CF)CCN;IXSMIOBHXKKPHB-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382121;MM382121;O=CC(=CCO)OCCF;ANNGREKIPSHHLO-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382122;MM382122;C#CC(=O)C(=CC)CCF;KSSDLFIFVBCKRT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382123;MM382123;N#CC(=CCO)OCCF;IPQGJDNROOGLQL-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382124;MM382124;C#CC(=O)C(=CF)CCF;GJNAXUSASLOJDN-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382125;MM382125;N#CC(=CCF)OCCO;YDFPMAHJOVYBPY-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382126;MM382126;C#CC(=C)C(=CC)CNC;HBGHLNOJLAVLPQ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382127;MM382127;COCOC(C#N)=CCO;OSZXRTIDZVXNSE-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382128;MM382128;C#CC1=CC2CC2(CO)C1;ZGIYTCZOONZLST-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382129;MM382129;CCCOC(C=O)=CNC;CROKKQKFDLYKGB-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382130;MM382130;C#CC(=C)C(COC)=NN;SFQLNKFBXOZKDY-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382131;MM382131;CCCOC(C#N)=CNC;KWTHWQBFWUPXRZ-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382132;MM382132;C#CC(=C)C(=NCC)NN;PGIDVSJGBZZYDR-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382133;MM382133;CNC=C(C=O)OCCF;WHWLYXLLTNDDNK-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382134;MM382134;CCC1=CC2(CO)CC1C2;HGYRGYDNXANJFG-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382135;MM382135;C=CC(=COC)OCCO;WEYJOFIAUXQQAB-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382136;MM382136;OCC12C=C(CF)C(C1)C2;ALXISSCJFMHGEA-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382137;MM382137;CCCOC(C=O)=COC;HJCNZVLGTNDOPE-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382138;MM382138;C#CC(=O)C(=CN)OCC;DQRJPWDGHJEAOZ-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382139;MM382139;COC=C(C#N)OCCF;YABGZCBOUWSLCG-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382140;MM382140;C=C1C(C)=CC2(CO)CC12;AWIDNXIALMGGHK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382141;MM382141;COC=C(C=O)OCOC;JRPMYDVUHVUBHY-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382142;MM382142;C#CC(=C)C(=NO)OCC;KHDBDXWSNSSVFQ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382143;MM382143;CC=C1CC2(CO)CC1C2;KKVUDDSCSAAHBO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382144;MM382144;C#CC(=O)C(=CC)CC=C;CCOUQRJARIXANG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382145;MM382145;C=C1CC2(CO)CC2C1=C;KTPHOQHMOXQRHT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382146;MM382146;C#CC(=O)C(=CC)CC=O;ICEYKFPOJSOYMK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382147;MM382147;C=CC(=NOC)OCCC;CFRXKYDJEITMFV-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382148;MM382148;C#CC(=O)C(=CF)CC=C;SSOAHYYYVHUVMY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382149;MM382149;CCCOC(C#N)=NOC;ZKEOQAJDJLHCRW-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382150;MM382150;C#CC(=C)C(=NO)NC=O;HVTVPZBBGNZKJX-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382151;MM382151;CON=C(C=O)OCCO;SMFOJGYMASPOSN-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382152;MM382152;C#CC(=O)C(=NO)NC=O;SHLKEHGONGZZPQ-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382153;MM382153;CON=C(C=O)OCCF;MYVHXCUVUQEWQM-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382154;MM382154;C#CC(=O)C(=CF)OC=C;QRICNFBCJBPIAH-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382155;MM382155;C=CC(=NOC)OCOC;MBLZYXWVUWKJQB-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382156;MM382156;C=CC1=CCC(CO)C1=C;VXQGJSCCTMEULU-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382157;MM382157;C=CCCC(C=C)=CCC;ZLLJGSXQHYBSTN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382158;MM382158;CC=CC1=C(C)C(O)CC1;HWCAEQMKTGOHMP-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382159;MM382159;C=CC(=CCC)CCC=O;RYPRBIULRAHWPE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382160;MM382160;C#CC(=C)C(=NO)OC=C;ACMLIJRWBCMJRC-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382161;MM382161;C=CC(=CCC)CCC#N;JZDDFFQNRZUSTL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382162;MM382162;C#CC(=C)C(=NO)ON=C;OTHQBQNGFCBKIB-UHFFFAOYSA-N;138.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382163;MM382163;C=CCCC(C=C)=CCN;PFAHKBNPPHIHMJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C4";;;;;;;2.5;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382164;MM382164;CC(CF)C(C=CF)=CF;LQSXUZLSKDLOQW-UHFFFAOYSA-N;150.14;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382165;MM382165;C=CCCC(C=O)=CCC;JECQEZZRPMHOCU-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382166;MM382166;CC=C(C=CF)C(N)CC;JVSHVIJXOHEGDG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382167;MM382167;CCC=C(C=O)CCC=O;NYAXFBWUIKBXMC-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382168;MM382168;CC=CC(=CC)C(N)CN;RHUUZXZZPFYSGU-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382169;MM382169;CCC=C(C=O)CCC#N;BAOXUYUWAXNQLD-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382170;MM382170;NCC(N)C(C=CF)=CF;GYZLINORZZFHLR-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382171;MM382171;CCC=C(C#N)CCC=O;HHZONUPXXIVQAT-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382172;MM382172;CC=CC(=CF)C(N)CF;MYSZXHOVRHTZPD-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382173;MM382173;CCC=C(C#N)CCC#N;BUIZEAGHQBEZEA-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382174;MM382174;CC=C(C=CF)C(O)CO;DJSGTGXJTKTRBW-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382175;MM382175;C=CCCC(C#N)=CCF;ZIDIUMWEFFGMGG-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382176;MM382176;CC=C(C=CF)C(F)CN;BOTVPHZQGZLWER-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382177;MM382177;N#CC(=CCF)CCC=O;ZYSVDCDFIUQCKF-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382178;MM382178;CC=C(C=NO)C(C)CN;URDCXNYRMFAHRP-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382179;MM382179;C=CCCC(C=O)=CNC;CLFRMIZMGWWCSW-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382180;MM382180;CC=CC(C)N1CC1C=O;RKSUOCYNTUUQRJ-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382181;MM382181;CNC=C(C=O)CCC=O;DFKKEKBGOXHJHY-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382182;MM382182;CC=CC(=CC)C(C)NC;MFVKIMPYDVJSQF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382183;MM382183;C=CC(=COC)CCC#N;RJSMPUVLSVWJBA-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382184;MM382184;CC=C(C=CF)C(C)NC;GYWBIOSWPOKQEX-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382185;MM382185;COC=C(C#N)CCC#N;IBQSMJVCKBDAJH-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382186;MM382186;CC=CC(=CF)C(C)NC;HGKBRSWLIPXDPB-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382187;MM382187;C=CC1NN=C(C=O)C1C;TWOWKVBDNHBDBN-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382188;MM382188;CNC(C)C(C=CF)=CF;ZCJUOGFHCWGYDH-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382189;MM382189;C=CC(=CCN)CNC=O;IQXYONVSBFOIEP-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382190;MM382190;CC=C(C=NN)C(C)NC;DRPWQBYMTWIREW-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382191;MM382191;CN1CC1C(F)C#CC#N;YJGZYWWKSCDTDU-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382192;MM382192;CC=C(C=NO)C(C)NC;AXUDHOUBEIIXTN-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382193;MM382193;N#CC(=CCO)CNC=N;HAPLJPCANCTZLV-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382194;MM382194;CNC(C)C(C=NO)=CF;CGJXCVHEQKQREC-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382195;MM382195;N#CC(=CCO)CNC=O;XVVGDIKHZFXPLB-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382196;MM382196;CC=CC(=NO)C(C)CN;RWPORNKHAGFDOV-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382197;MM382197;C=CC(=CCC)CNN=C;HLCSKTBRZSJIRC-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382198;MM382198;CC=CC(=NO)C(N)CC;JSLIPOFGOXYIJV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382199;MM382199;C=CC(=CCN)CNN=C;XLDLPZHMZFVQDE-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382200;MM382200;CC=CC(C)(C)O;OWVUFBAJXKEVBE-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382201;MM382201;C#CC1C2CC3(O)CC3C12;IYEVYEOOPQEDMM-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382202;MM382202;Cc1ncoc1N;IDEAQGFTDVESJA-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382203;MM382203;CNC=C(C#N)CNC=N;QXOKUCZEGFTKOE-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382204;MM382204;CC=CC(=NN)C(F)CC;RAJRKCYOWTXNEM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382205;MM382205;CC1CCC(O)C1;VEALHWXMCIRWGC-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382206;MM382206;C#CCC(C)(C)CO;JZQWKSNREHAZIT-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382207;MM382207;C=NNCC(C=O)=CNC;GIHIQVDTKKSLSE-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382208;MM382208;CCC(O)C(C=NO)=NN;UPCJCLBTOLVXTC-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382209;MM382209;C=CC(=COC)CNC=N;QCNNWZDUJMLMOU-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382210;MM382210;CC=CC(C)(C)CO;AZPYZVWIQBIUGI-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382211;MM382211;CC(O)C1CC1C;WLNGEWJRGOHNAA-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382212;MM382212;CC=CC(=NO)C(C)NC;QBTRTEMYRXJCLJ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382213;MM382213;C=CC(=CCN)COC=O;MBZLIWFYVJUMTO-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382214;MM382214;CCC(C)CC(C)O;KZUBXUKRWLMPIO-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382215;MM382215;CCC=C(C#N)COC=O;BKRUCFGRRRPFBJ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382216;MM382216;CCCCC1(O)CC1;ODGMSFYULMJQFQ-UHFFFAOYSA-N;114.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382217;MM382217;O=COCC(C=O)=CCF;ZUOVPDOIFPJIPJ-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382218;MM382218;C=CC1CC(O)C1C;OQEJBTXKMJBLAS-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382219;MM382219;C=COCC(C=O)=CNC;VSYDUFUWXGDTHE-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382220;MM382220;O=C(CCF)C1CN1;OICBLWRUDWUYKZ-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382221;MM382221;CNC=C(C#N)COC=O;UBPXHCIYOFFRAR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382222;MM382222;CCCC(C)CC(C)O;GUHWHNUGIGOSCN-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382223;MM382223;C=COCC(C=C)=COC;MKIHHOKPBFVRKX-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382224;MM382224;CCN(O)C(C=NO)=NN;ULAZHGXQNHLFCP-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382225;MM382225;C=COCC(C#N)=COC;XYVCLGXKCHHVCT-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382226;MM382226;CCN(O)C(C=NN)=NO;IMBLDITZMPYQBA-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382227;MM382227;COC=C(C=O)COC=O;YPNMGXBDLHQVHB-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382228;MM382228;CCN(O)C(C=NO)=NO;FBMZZPZAJLFMHZ-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382229;MM382229;C=CC(=COC)CON=C;PQPSKSCPIXOMQV-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382230;MM382230;C=CC(N)C(C=CF)=CF;UKSLVBBVIZTFRK-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382231;MM382231;CNN=C(C=O)CN=CN;LMONAOSRHIAVMP-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382232;MM382232;CC=CC(=CC)C(O)C=O;QEZTVHKHUWLECR-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382233;MM382233;CNN=C(C#N)CNC=N;JDWXJXWGKMJLBE-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382234;MM382234;C=CC(O)C(C=CC)=CF;FDPBRCNTYSMPTD-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382235;MM382235;CNN=C(C#N)CNC=O;ATUOCCQQJSQPSK-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382236;MM382236;C=CC(C)C(C=NN)=CC;USFBDZAHSUHVEU-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382237;MM382237;C=CC(CNC=N)=NOC;SPSMDPUAPCHZHN-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382238;MM382238;CC=C(C=NO)C(C)C=O;WMISEKMWICIBSK-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382239;MM382239;CON=C(C=O)CN=CN;VUWSVTZFXIPUKO-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382240;MM382240;CC(O)CC(C)CCF;CWXCNAFIQQDSFT-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382241;MM382241;CON=C(C#N)CNC=N;GULWHKVQXVAHCP-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382242;MM382242;CC=C(C=NO)C(O)C=O;CGQUITOAQDPWBN-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382243;MM382243;CCC1CC(C)(O)C1;NJVVPHKNPVVFJO-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382244;MM382244;CCC=CC(C)(C)CO;QISXNMZEQJKGHE-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382245;MM382245;C=COCC(C=C)=NNC;GFSXCZWULPIIAK-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382246;MM382246;N#CC(O)C(C=NO)=CN;GZXMKIQHORLSDK-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382247;MM382247;CCc1c[nH]c(N)c1;BTFNUYJWHRKFTJ-UHFFFAOYSA-N;110.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382248;MM382248;CC=CC(=NO)C(C)C=O;WLCUHXDTIJLPLA-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382249;MM382249;C=COCC(C=C)=NOC;AQLKTEVAYIFDJX-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382250;MM382250;CC(C#N)C(C=CN)=NO;XHTARLJODRHCTN-UHFFFAOYSA-N;139.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382251;MM382251;C=CC1NC1C(C)=O;YEJJTRNCMPAGFS-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382252;MM382252;CCC(=CNC=O)C(=O)O;INCWHFYUIAHCGA-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382253;MM382253;C=CC(=NCC)NCC#N;CGJWATDXGJWCMF-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382254;MM382254;C#CCONC(=O)CF;WJOLRRRYIPEKJM-UHFFFAOYSA-N;131.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382255;MM382255;C=CCNC(C=O)=NCC;MTPSIEUNHSWYJC-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382256;MM382256;CC=C(C=CF)N(O)C=O;SGXARBSGLDQZQT-UHFFFAOYSA-N;145.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382257;MM382257;C#CC=C(C)C(C)(C)O;CANHZVAOLNQRCD-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382258;MM382258;CN(C=N)C(C=NN)=CN;GIWGSIYCHVOHKF-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382259;MM382259;CCCC1CC(C)(O)C1;RJYVVLDFYJSRJV-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382260;MM382260;CN(C=N)C(C=NO)=CN;SQLVFYPBHQDDFC-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382261;MM382261;C=CC(=NOC)NCC#N;LHLDDOXNAYHLHA-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382262;MM382262;CN(C=O)C(C=NO)=CN;SHXMLCURAIWHNI-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382263;MM382263;CC(O)CC1(C)CC1C;PIEPEEIXAGSQKQ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382264;MM382264;CN(C=O)C(C=NO)=CF;APLIMSQZOAFGAM-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382265;MM382265;CCN=C(C#N)NNC=O;HCBFCALUSSBUHJ-UHFFFAOYSA-N;140.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382266;MM382266;C=CN(C)C(C=CF)=NC;ZAEJHIKCTKHQHD-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382267;MM382267;C=CC(=NNC)NNC=N;VMXDAXRQUVGGFG-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382268;MM382268;C=CN(C)C(C=CN)=NN;GIHHCSQOCSQJLS-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382269;MM382269;CNN=C(C#N)NNC=N;XDIDYJBGVZYPON-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382270;MM382270;CN(C=N)C(C=CN)=NN;JZGSBMLYTCPNGG-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382271;MM382271;CNN=C(C=O)NNC=O;GDGBUJKSXXSCEW-UHFFFAOYSA-N;144.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382272;MM382272;CC(=O)C1NC1(C)C#N;AWGGJYVXSCOTFN-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382273;MM382273;CNN=C(C#N)NNC=O;OGDDLCAHTBLOQZ-UHFFFAOYSA-N;141.13;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382274;MM382274;CC=CC(=NO)N(C)C=O;LZVJKPCXDNTCFV-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382275;MM382275;CON=C(C#N)NNC=N;KQWDYUOYYCCESE-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382276;MM382276;CN(C=O)C(C=CF)=NO;FOUKBELNQDLRMR-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382277;MM382277;CC(C)(C)N1CC1C=O;GJKBFPLBRJYAAV-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382278;MM382278;CON=C(C#N)NNC=O;JFMSEZBTVNUBSD-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382279;MM382279;CC(=O)C(C)=NOC=O;AUVPWTVKGXHGMQ-UHFFFAOYSA-N;129.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382280;MM382280;CC1CC(C)(CO)C1C;YKQQZSVFCMFWNJ-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382281;MM382281;NN(C=O)C(C=CF)=NO;RXUXTKAZWXYHGT-UHFFFAOYSA-N;147.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382282;MM382282;C=CC1(C)NC1C(C)=O;PRJXYMMHGHTXAU-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382283;MM382283;CCCCCC1(O)CC1;JHVKFEXSRDRTMX-UHFFFAOYSA-N;128.22;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382284;MM382284;CON=C(C#N)NOC=O;BJPLRMNKLUWITB-UHFFFAOYSA-N;143.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382285;MM382285;C=CC1CC(=C)C(O)C1;DZNKUFULOHHCQO-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382286;MM382286;C=CC(=CCC)OCC=O;NGFWJKXJVYRKRG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382287;MM382287;C=CN(O)C(C=CF)=NO;BDVFALHRJRAYJD-UHFFFAOYSA-N;146.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382288;MM382288;C=CC(=CCO)OCC=O;UUAZSQSGKSMIRT-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382289;MM382289;N=CN(O)C(C=CF)=NO;XVSAYDORCFKIJP-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382290;MM382290;C=CC(=CCO)OCC#N;KDPMAOXWCVLWMP-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382291;MM382291;C=C1C(C)=CC2CC12O;DBXSTXWITACWFZ-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382292;MM382292;N#CC(=CCO)OCC=O;GQODVYRBHOOOEZ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382293;MM382293;C=C1C=C(C)C2CC12O;ICZJYSNGZMCPFF-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382294;MM382294;C=CCOC(C#N)=CNC;WPIKQDJMAZERDW-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382295;MM382295;CN(C=O)C(C=NO)=NN;XBAZJQPTFYZQNW-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382296;MM382296;CNC=C(C=O)OCC#N;LUYPXPWGAMBJCP-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382297;MM382297;C=CN(C)C(C=NN)=NO;YZKSGUAHEQATGD-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382298;MM382298;C=C(CC)CC1(O)CC1;ZRAMAWIFMQCHDK-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382299;MM382299;C=CN(C)C(C=NO)=NO;OXKRHMSMCBHCBX-UHFFFAOYSA-N;143.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382300;MM382300;C=CCOC(C=O)=COC;KMYLYTSAHJDXRW-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382301;MM382301;CN(C=O)C(C=NN)=NO;PXPBSVHMUOHXAB-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382302;MM382302;CCC1(CO)CC(C)C1;LALSFTFHVSTMNW-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382303;MM382303;C=CC1CCC(O)C1=C;TUZJKYZSVANNLS-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382304;MM382304;CNN=C(C=O)OCC=O;UYRJFTTUVCHWQE-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382305;MM382305;CC=CC1CC(O)C1C;ANIWPPRIHARMQU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382306;MM382306;CNN=C(C#N)OCC=O;GBYMSYVQCSZUKJ-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382307;MM382307;O=CC1=NNC(CF)C1;WAHNSINAOASCLO-UHFFFAOYSA-N;130.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382308;MM382308;CCC1(CC(C)O)CC1;AZJNYRPNPHVSTB-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382309;MM382309;C=CC(O)C1CC1C=C;YPSPKTKAZMQSOH-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382310;MM382310;CON=C(C=O)OCC#N;QTIJMXRUWAHVGL-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382311;MM382311;C=NN1CC1C(=O)C=O;UGJHJBLLIJURQC-UHFFFAOYSA-N;126.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382312;MM382312;CON=C(C=O)ON=CN;FKQRFALWUIPCTO-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382313;MM382313;C=CC(=C)C1C(C)C1O;MKJGWBJJSAIUOF-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382314;MM382314;C#CCCC(C=C)=CCC;QJPSPOMARYVYHI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382315;MM382315;CON=CCOCC=O;BTTHDKKSAJJOBH-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382316;MM382316;C#CCCC(C#N)=CCC;QSBLDHMIROWDGA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382317;MM382317;NN(C=O)C(C=NO)=NO;YYTKKSQESCPJHW-UHFFFAOYSA-N;146.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382318;MM382318;C=NN=CCOCC=O;HOYUUXMGYNMWAI-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382319;MM382319;C#CCCC(C#N)=CCO;YZPBJVWHPJCBER-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382320;MM382320;CC=NN=CNOC=O;HRVXAXDAIUSMBW-UHFFFAOYSA-N;129.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382321;MM382321;C#CCCC(C=O)=NOC;PLYDSXRDRGXVEA-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382322;MM382322;CC(O)CC(C)CC(C)O;LFWYBPFYLUEUIJ-UHFFFAOYSA-N;146.23;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382323;MM382323;C#CCNC(C=C)=NCC;URKFIWSWAPTPME-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382324;MM382324;C=NN(C)C(C=CF)=NO;XVRHCYCMOXLDKR-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382325;MM382325;CC1C2CC(O)CC12C;HQGJFFKQJUDQIP-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382326;MM382326;C#CC(N)C(C=CF)=CC;IUWJHOFNURQRRW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382327;MM382327;C#CCOC(C=C)=CCC;DAAFCSGBDZXONA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382328;MM382328;C#CC(N)C(C=CC)=CF;HKXRVGZCFRGUFK-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382329;MM382329;C#CCOC(C=O)=CNC;OOHPIYHUDAZNPF-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382330;MM382330;C#CC(N)C(C=CF)=CF;FGFLVZPOXORVQX-UHFFFAOYSA-N;143.14;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382331;MM382331;C#CCOC(C#N)=COC;JBQBATALVIVCOI-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382332;MM382332;C#CC(O)C(C=CC)=CF;ORTQBZCZSLXZOM-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382333;MM382333;CC(=NN)ON=CNN;YMXBIGPCRPEZFH-UHFFFAOYSA-N;131.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382334;MM382334;C#CC(C)C(C=NN)=CF;VQNDCVUIIUUMAY-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382335;MM382335;CCc1cc(C)c(N)[nH]1;KDIDUCFJIJGOKU-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382336;MM382336;CC(O)CC(C)CC(F)F;XGFSSQKZPIUXGY-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382337;MM382337;C#CCOC(C=C)=NOC;KVOUNFWNYKIIOI-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382338;MM382338;C#CC(C)C(C=CC)=NO;AZMRIKVVAUKDFS-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382339;MM382339;C#CCOC(C#N)=NOC;HOVSWLYPYBQNLK-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382340;MM382340;CC#CC(O)C(O)C(=O)O;DSJGUZIATCAZGM-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382341;MM382341;C=CC=C(C=C)CCCC;HZLRORPRPXTNDD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382342;MM382342;C#CC(C)C(C=NN)=NO;MYCZNOHNECQSRY-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382343;MM382343;C=CC=C(C=C)CCCN;KTISRRNOYJCLMO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382344;MM382344;C#CC(C)(C)CC(O)C=C;CWUIIUBNFZFMEN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382345;MM382345;C=CC=C(C=C)CCCF;MNBQAHMEMKRTAR-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382346;MM382346;C=C(CN)C(C=CF)=CF;TVGBWXHNTUGIBU-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382347;MM382347;CNc1cc(C)c(C)[nH]1;APRLASDMUJFVBS-UHFFFAOYSA-N;124.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382348;MM382348;CC=CC(=CC)C(=O)CO;CSGQQPIDRPJEHI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382349;MM382349;C=CC(=CC=O)CCCF;RIKZHDJBEDSBCE-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382350;MM382350;C=C(CO)C(C=NO)=CC;UWPLBKMVGHGVLB-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382351;MM382351;C=CC(=CC#N)CCCF;BQBJBHNHLNOVIK-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382352;MM382352;CC(C)C=CC(C)(C)CO;KPGCNIAUCDUSRP-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382353;MM382353;C=CC=C(C=O)CCCC;RSFMCLKTNQLZHH-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382354;MM382354;CC=C(C=NO)C(=O)CC;PWPBVFBKIMBBSJ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382355;MM382355;Nc1nc(C=O)oc1N;QRERIVXSGBDNKV-UHFFFAOYSA-N;127.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382356;MM382356;CC=CC(=CC)C(=N)NN;BBAXYFMAUGQUCT-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382357;MM382357;C=CC=C(C#N)CCCO;YMTXGQHYBHYAFZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382358;MM382358;N=C(NN)C(C=CF)=CN;BGXYIHPZVHTJRK-UHFFFAOYSA-N;144.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382359;MM382359;C=CC=C(C=O)CCCF;JYRABIUKPIEBPI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382360;MM382360;CC(F)C=CC(C)(C)CO;CVAOBZVPPAZBQO-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382361;MM382361;C=CC=C(C#N)CCCF;FOWJIWDXZNANMW-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382362;MM382362;CC=CC(=CC)C(=O)NO;LRQSRRIUSDQRLM-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382363;MM382363;CCCCC(C=O)=CC#N;SMJUHRCRFCUCQB-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382364;MM382364;CNC(=N)C(C=NN)=CN;SDOFHSNTDRENLT-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382365;MM382365;N#CC(=CC=O)CCCO;ZDMXTXNJMAOZME-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382366;MM382366;N=C(NN)C(C=NN)=CN;LMSXIHCZLZTCMJ-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382367;MM382367;C=CC=C(C=C)CCNC;DJOQPCOEQHWAAL-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382368;MM382368;CNC(=N)C(C=NN)=CF;HAPZONMJFBCJQT-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382369;MM382369;C=CC(=CC#N)CCNC;OIOSPTJWPNSNFG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382370;MM382370;C#CC(C)(C#C)CC(C)O;PTPLQCINOXQVHE-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382371;MM382371;C=CC=C(C=O)CCNC;ZBAQWNXLUIPYOE-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382372;MM382372;CNC(=O)C(C=NO)=CN;TWYQTWSKUVBBTN-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382373;MM382373;C=CC=C(C#N)CCNC;SKLHNRAIWAZNFP-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382374;MM382374;NC=C(C=NO)C(=O)NO;ZRTZQIXGAYIFTE-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382375;MM382375;CNCCC(C#N)=CC=O;DGFKNUKTZUIEAR-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382376;MM382376;CNN=C(NC)C(C)(C)F;LLWBSONWXSDBQO-UHFFFAOYSA-N;147.2;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382377;MM382377;CNCCC(C=O)=CC#N;PIOMIRVSPBKVSY-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382378;MM382378;CNC(=N)C(C=CN)=NN;FBDDHUJCKHBBLP-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382379;MM382379;CNCCC(C#N)=CC#N;NRHQTCRTMKKTCY-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382380;MM382380;CNC(=N)C(C=CN)=NO;LAEIQCVAUPCIBF-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382381;MM382381;C=CC=C(C=C)CCOC;RHJUHOWQCAIQSB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382382;MM382382;N=CC=C(NO)C(=N)NO;ZTUVXEVWKODSCO-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382383;MM382383;COCCC(C=O)=CC=O;AHAYKPQYNBDBPS-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382384;MM382384;CC(C)(O)CCC#CC#N;GQLIOUUJCPGVDH-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382385;MM382385;C=CC=C(C=C)CNCC;ZIVWFVURNQFILM-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382386;MM382386;CCCC=CC(C)(C)CO;GXDXPPYYSPZJCH-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382387;MM382387;C=CC(=CC#N)CNCC;HDNQJMCYQOBKHJ-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382388;MM382388;CC=CC(=NN)C(=O)NO;FVDCLOLMJMYREV-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382389;MM382389;C=CC=C(C=C)COCC;CQFDUCKMXPMOKU-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382390;MM382390;NC=CC(=NN)C(=O)NO;HSNBORZUFHJFPK-UHFFFAOYSA-N;144.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382391;MM382391;C=CC=C(C=O)COCC;HCEWFFMOTSINMQ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382392;MM382392;C=CCC=CC(C)(C)CO;PFSZTROSQFWHSC-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382393;MM382393;C=CC=C(C#N)COCC;KVVNBZHQQKLVGL-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382394;MM382394;CNC(=N)C(C=NN)=NN;ONMXOXNPIKTPSC-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382395;MM382395;CCOCC(C=O)=CC=O;WBGUTOPWFBZLSZ-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382396;MM382396;CC(C)(C=CCC=O)CO;NDRZENGHZCBIHH-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382397;MM382397;C=CC(CCCN)=NN=C;OEAVVVKNCDEHKV-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382398;MM382398;N=C(NO)C(C=NO)=NN;PZOWCCQTWCRRJZ-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382399;MM382399;C=CC(CCNC)=NN=C;DCXNJZRNHHJMQX-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382400;MM382400;CC(C)(C=CCC#N)CO;BGTRQAQMYHLHBL-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382401;MM382401;C=CC(COCC)=NN=C;KDMUKYIPEZYWNK-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382402;MM382402;C#CCC=CC(C)(C)CO;OYHIMIDTHFXABY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382403;MM382403;C=NN=C(C#N)COCC;LSWWNCBZGBYMFI-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382404;MM382404;C=C(C#CC)C(C)(C)CO;FNMBEFJZPMKWTF-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382405;MM382405;CCCc1c[nH]c(N)c1;BUWHTPRTZHTWIW-UHFFFAOYSA-N;124.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382406;MM382406;CC(=O)C=NNC(C)CF;KCSIDFNFTVDUFO-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382407;MM382407;O=CC=C(C=O)NCCF;XJUITRGKFWUDPP-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382408;MM382408;C=CC1(O)CC(C(=C)C)C1;ZHVYQVCWIJNFFS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382409;MM382409;C=CC(=NCCN)NC=N;LBNDRSGYGCOEHA-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382410;MM382410;NN=CC(=NN)C(=O)NO;IFANYUADMPZGCQ-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382411;MM382411;C=CC(=NCCO)NC=N;DADYOFYEAJUQFV-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382412;MM382412;CC1(C)CC2CC2(CO)C1;ONWGTZFLADIUEA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382413;MM382413;Cc1cc(O)on1;CPWLODRXTMANAL-UHFFFAOYSA-N;99.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382414;MM382414;CNC(=O)C(=CNO)N=O;QRPBSONLXMFGOA-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382415;MM382415;C#CC(=NO)NCC(=O)O;RWNDSYGFELSLLB-UHFFFAOYSA-N;142.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382416;MM382416;NN=CC(=NO)C(=O)NN;SDAMUKIDOXSFGO-UHFFFAOYSA-N;145.12;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382417;MM382417;C=C(C=O)C(C=CF)=CF;SDXJNHRJSWAJFH-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382418;MM382418;CCNc1cc(C)c[nH]1;YKAWSSCDHBPFEI-UHFFFAOYSA-N;124.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382419;MM382419;CC=CC(=CC)C(=O)C#N;BLBAUSKEJYKWHF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382420;MM382420;C=CC=C(C=C)OCCC;FNLZYTGHYREKFK-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382421;MM382421;CC=C(C=CF)C(=O)C#N;IIPYEGCAZOAUDN-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382422;MM382422;C=CC=C(C=C)OCCN;QZKUAAYKXBNHJN-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382423;MM382423;CC=CC(=CN)C(=O)C#N;GPPAPJJGWYTMCU-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382424;MM382424;C=CC(=CC=O)OCCO;HERMLQQDKSRXHD-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382425;MM382425;C=CC(=O)C(C=CC)=CF;SPHWKVDRZFPNJQ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382426;MM382426;C=CC(=CC#N)OCCO;UYXMUUZPUJRCFI-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382427;MM382427;C=C(C#N)C(C=CN)=NO;NNDGTTKRELTNNT-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382428;MM382428;C=CC=C(C=O)OCCC;VJQVIZYZKJBCDQ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382429;MM382429;C=CC(=O)C(C=CC)=NO;VCDDYUFSKPDWRO-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382430;MM382430;C=CC=C(C#N)OCCF;VLPFOGFBIJBKGD-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382431;MM382431;CC=CC(=NO)C(=O)C=O;QEHFWGFRADLPSL-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382432;MM382432;CCCOC(C#N)=CC=O;JOKNWAVDWXWRHM-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382433;MM382433;C#CC(=O)C(C=CF)=CF;AKWIWWVLYJIELE-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382434;MM382434;N#CC(=CC=O)OCCO;DMJBLKGXFUHBJR-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382435;MM382435;C#CC(=C)C(C=NO)=NN;MTRSBIDODWNUKP-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382436;MM382436;N#CC(=CC=O)OCCF;KFCANRDPAMBWHM-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382437;MM382437;C#CC(=C)C(C=NN)=NO;GWIQIPIAXPARLY-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382438;MM382438;COCOC(C=O)=CC=O;VKDDYGOVCPQYAP-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382439;MM382439;CN(C)N=CCOCC=O;TVXMUCFXCKJLLJ-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382440;MM382440;C=CC(=NN=C)OCCN;CZWZQJXZFBJWAM-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382441;MM382441;CC#CC(=NO)C(C)CO;JIKPEIBNISWEAQ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382442;MM382442;C=NN=C(C#N)OCCC;MNNMZUNZUNEKER-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382443;MM382443;C=NN=C(C)COCC=O;BDNHDFGVTPPSNY-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382444;MM382444;C=NN=C(C=O)OCCF;KGQOQZQFKLSYEU-UHFFFAOYSA-N;146.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382445;MM382445;CC#CC(=NN)C(O)CF;IVDJBVMWJSVVPJ-UHFFFAOYSA-N;144.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382446;MM382446;C=NN=C(C#N)OCCF;GBIFXSGTTHDQHS-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382447;MM382447;Cn1[nH]c(F)cc1=O;JQCZWXLMPGCWRA-UHFFFAOYSA-N;116.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382448;MM382448;C=CC=C(C=C)CCC=C;JGYBDXAFDLLPDE-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382449;MM382449;CC#CC(=CF)C(O)C=O;NBDFIWGZBBKXNW-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382450;MM382450;C=CC=C(C=C)CCC=O;NQJVRHZWBYHXDT-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382451;MM382451;CC#CC(=CF)C(O)C#N;MBBQSNKTJFHDCI-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382452;MM382452;C=CC=C(C=C)CCC#N;QZTMQJHZYCUKFA-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382453;MM382453;CC#CC(=CF)N(C)C=N;STBRVNNZDGIVFM-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382454;MM382454;C=CCCC(C=C)=CC#N;GVPSHISSDLELAT-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382455;MM382455;CC#CC(=CF)N(N)C=O;DUZWLGHOTQCLRH-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382456;MM382456;C=CC(=CC=O)CCC=O;VXPCMKPMFCYCDV-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382457;MM382457;CC#CC(=NC)N(C)C=O;OBAOCHOYTLTUSV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382458;MM382458;C=CC(=CC#N)CCC=O;WZSQAMALKVACQP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382459;MM382459;CC(C)C(O)C=CCC=O;HRXORWMIFFNYQI-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382460;MM382460;C=CC(=CC#N)CCC#N;YWOWNUUJGGBUTD-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382461;MM382461;C=CCON=C(C)C(C)=O;UWRJDVUMDHDBRF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382462;MM382462;CC#CC(=NO)N(N)C=O;KODRKBHFBUTJMD-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382463;MM382463;C=CC=C(C=O)CCC#N;HYZFIZDBCAOQBF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382464;MM382464;CC(C)(CO)C1CC1C=O;IWIZZTVJKAEMRZ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382465;MM382465;C=CC=C(C#N)CCC=O;ROKBSPFVWRMUPC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382466;MM382466;C=CN(O)C(C#CC)=NO;UBYHLCYLVQJFCZ-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382467;MM382467;C=CC=C(C#N)CCC#N;VOGTZQKGTRLZEP-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382468;MM382468;CC#CC(=CF)C(=O)CO;QOTMZDPLMAPGBN-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382469;MM382469;C=CCCC(C#N)=CC=O;LQWLZUTYITWCGS-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382470;MM382470;CC#CC(=CF)C(=N)NC;YBBWDJVAUDFATR-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382471;MM382471;C=CCCC(C#N)=CC#N;CDKLMVZDAJWDNR-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382472;MM382472;C#CC12C=CC(CO)(C1)C2;RUYDDVJUDFLEJZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382473;MM382473;CCc1[nH]c(N)cc1C;LFUOBAZJLOVBJP-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382474;MM382474;CC#CC(=CN)C(=O)NO;OLMDECRZSWHUPC-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382475;MM382475;C=CC=C(C#N)CNC=N;KVXYZRZBQIPZNZ-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382476;MM382476;CC#CC(=CN)C(=O)OC;WCEALGTVAWTFOS-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382477;MM382477;C=CC=C(C#N)CNC=O;PQPXKNGPXULEOB-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382478;MM382478;C=C(CF)C(C#CC)=NN;MGCKTTLRILVRIC-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382479;MM382479;O=CC=C(C=O)CNC=O;NSZKRHSBPCTSSR-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382480;MM382480;C=C(CO)C(C#CC)=NO;PRSGZTAIRJFNLJ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382481;MM382481;C=CC=C(C=C)CNN=C;QVPGOCXDSBXFEA-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382482;MM382482;CC1(C)CCC2(CO)CC12;AIWSFFZSAAJVKF-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382483;MM382483;C=CC=C(C=O)CNN=C;WHEUMGDCDNQKQK-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382484;MM382484;CC#CC(=CN)C(=O)C=O;SYJOAACDPPTMDW-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382485;MM382485;CCC12CC(O)CC1C2;DHCBTCXEHKMIGN-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382486;MM382486;CC#CC(=CN)C(=O)C#N;FWLWOVYAGSKPIE-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382487;MM382487;C=COCC(C=C)=CC#N;INHAYUNNYDDPHA-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382488;MM382488;O=Cc1nc(F)c(O)o1;UEGOYDVJGZDPCD-UHFFFAOYSA-N;131.06;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382489;MM382489;C=CC=C(C#N)COC=C;RUUUDXPHACTYEZ-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382490;MM382490;C#CC(=O)C(C#CC)=CN;BVUGHBDWNXECLY-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382491;MM382491;C=CC=C(C#N)COC=O;RWCVYGRGDAWZBH-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382492;MM382492;CC=C(CCF)C(C)=CF;ZRMWGOJLTTUEED-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382493;MM382493;C=CC=C(C=C)CON=C;FKUYSAFGLOLZSR-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382494;MM382494;CC(=CF)C(=CF)CCN;BKRSJRFSROWXOQ-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382495;MM382495;COc1[nH]cc(C)c1N;OWQSKWURIXWEEH-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382496;MM382496;CC=C(C)C(=CC)CNC;GVOAYFDOFPFBGD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382497;MM382497;C=COCC(C=O)=NN=C;RBTHQGQAAOICTQ-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382498;MM382498;CC=C(CNC)C(C)=CF;HZISTHLOJKMSNT-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382499;MM382499;C=COCC(C#N)=NN=C;SUVRSWWIHONFDJ-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382500;MM382500;CC=C(C)C(=CF)CNC;DLYMOXVJPJZFEC-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382501;MM382501;C=NN=C(C#N)COC=O;VKGGUBMMGLHKLO-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382502;MM382502;CNCC(=CF)C(C)=CF;NBAPAODRVAUXPF-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382503;MM382503;C=CCNC(C=C)=CC#N;GNFYOQZQQNYTLM-UHFFFAOYSA-N;134.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382504;MM382504;CC=C(F)C(=CF)CNC;MHKWYBDUMHKVGY-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382505;MM382505;N#CC=C(C#N)NCC#N;IJFWJWNVZJEIFP-UHFFFAOYSA-N;132.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382506;MM382506;CC=C(CCF)C(C)=NN;WWYNRAVPDMGMHO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382507;MM382507;N=CNNC(C=O)=CC=O;NLZQTRBEJFAYBU-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382508;MM382508;CC=C(CCF)C(C)=NO;AGBHTRTVQYAHJQ-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382509;MM382509;N#CC=C(C=O)NNC=N;XAVXHORFQHQZPV-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382510;MM382510;CC1(C)CC1C1(CO)CC1;LYUFOWDOJJCTIG-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382511;MM382511;CNCC(=CF)C(C)=NN;YVKHVYDKOBLWQB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382512;MM382512;N#CC(=CC=O)NNC=O;GGXHYHSRHADUNR-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382513;MM382513;CCCC(=NN)C(C)=CF;IOWWMLBEVGCRAY-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382514;MM382514;C=CC(=NCC#N)NC=N;RMNRCULMOQIBHE-UHFFFAOYSA-N;136.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382515;MM382515;COCC(=NN)C(F)=CF;WVIOLGYTEKMODX-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382516;MM382516;C=C(C)C1C(C=O)N1C;QVGIMROHNKKSPT-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382517;MM382517;CCCC(=NO)C(C)=NN;OWZBLPCQYKHPPP-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382518;MM382518;CN(NC=O)C(=N)C(=O)O;HLJRSQOLDLEBRS-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382519;MM382519;C=C(CC#CC)C(O)CC;DRKNPTDIQUCBJO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382520;MM382520;COC(=NC=NN)NN;VNFLOWDCFPWRIB-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382521;MM382521;C#CC(=O)CNN=CC=C;SSTQAENIGWOLSM-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382522;MM382522;C=CC(=NNC=N)NC=N;WKLACWVCKSWFAP-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382523;MM382523;CNN=C(CF)NCC#N;QCRQKPDKBYRBQF-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382524;MM382524;C=CC(=NNC=O)NC=N;DDFGBKUQUGGANZ-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382525;MM382525;C#CC(=NN=C)NOC=O;MLTOLJWEGOZIAR-UHFFFAOYSA-N;139.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382526;MM382526;C=NN1C=NC(CF)C1;XLNKVNNLCSLKRK-UHFFFAOYSA-N;129.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382527;MM382527;C=C(C=O)C1CC(O)C1C;ZENOOHBFODYWNZ-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382528;MM382528;C=CC(=NNC=O)NC=O;VOMYJMKHKORQAX-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382529;MM382529;CC=C(C)C(=NOC)NN;SIXQBKYQXHRFLP-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382530;MM382530;N=CN=C(C=O)NNC=O;SPVAOWSBXOMUBB-UHFFFAOYSA-N;142.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382531;MM382531;C=CC(C=O)ON=CCC;UOVKQPLIIUVTIF-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382532;MM382532;CC(=O)C=NNC(C)(C)C;XSSZFBQDGPIZTD-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382533;MM382533;CON=CN=C(CF)NN;NGEBITONJYCKPT-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382534;MM382534;C=CC(=NNC=O)NN=C;JKKPZAGADQRLSZ-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382535;MM382535;C=CC(C=O)CC1CN1C;KATFKZODSAQHFJ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382536;MM382536;CC(C)(CF)NN=CC=O;MCPIYMZEGGOISG-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382537;MM382537;CC=C(F)C(=NOC)NC;BWCOIAAMXXBFQU-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382538;MM382538;C=CCOC(C=C)=CC#N;FRYHXJSGYQCXSV-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382539;MM382539;CC1CC2(CO)CC2C1C;BWQSRFSMFGULQU-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382540;MM382540;C=CC(=CC=O)OCC#N;ZKZLZRYGLKNOGB-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382541;MM382541;CNC(=NOC)C(F)=CF;NNEBRCPZOQUXFW-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382542;MM382542;C=CC(=CC#N)OCC#N;JCWGPVGDRSNKCI-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382543;MM382543;CC1C(C)C1C1(CO)CC1;OFMNAPGKRIVZNA-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382544;MM382544;N#CC=C(C#N)OCC#N;HVVDHKHIBKCQPA-UHFFFAOYSA-N;133.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382545;MM382545;CC(O)C1C(C)C1CC#N;TVQBIYXDJFKSEL-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382546;MM382546;C=CC(=NN=C)OCC#N;HVPWPIXPPMOUTM-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382547;MM382547;C=CC(O)C1CC1C=CC;IHBGNMVGVHQGBM-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382548;MM382548;C=NN=C(C#N)OCC=O;GTRSSZYTGXXHJT-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382549;MM382549;CC=C(CC=O)C(C)=CF;WYUPUZZYQWDBNY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382550;MM382550;C=CC(=NN=C)ONC=O;NJBCEGLRJMYPMM-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382551;MM382551;C=CCC(=CF)C(C)=CF;ALYCMGJASQPAMI-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382552;MM382552;C#CCCC(C#N)=CC=C;UCWZFYNRPOOUQB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382553;MM382553;CC(=CF)C(=CF)CC=O;FVBURILNEPZVBR-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382554;MM382554;C#CCNC(C=O)=CC#N;TZCDOTLXYMUHRC-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382555;MM382555;CC=C(F)C(=CF)CC=O;AVGHWAWVHBZUKC-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382556;MM382556;C#CCNC(C#N)=CC=O;HVSJMWMKYUVKRB-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382557;MM382557;C=CCC(=CC)C(C)=NN;DASNRSKTJGCNLS-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382558;MM382558;C=NNC(=O)C(=O)NOC;WSFHSJMQTXITTP-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382559;MM382559;CC=C(CC=O)C(C)=NO;HLHDQIYKSFAVQL-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382560;MM382560;C#CCOC(C=O)=CC=C;IMTVJYWPMMHDBU-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382561;MM382561;C=CCC(=CF)C(C)=NN;CPGQJIWVDDNXIK-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382562;MM382562;C#CCOC(C#N)=CC=C;QSSORCLUKPIKDR-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382563;MM382563;C#CCC(C)C1C(C)C1O;CPZNUIQQRPXXTJ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382564;MM382564;C#CCOC(C=O)=CC=O;UOBJXZBMWLPOFS-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382565;MM382565;OCc1onc(F)c1O;QYKMTYUIHRDPIW-UHFFFAOYSA-N;133.08;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382566;MM382566;C#CCOC(C=O)=CC#N;SJBNTNHXNVMVIF-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382567;MM382567;CC=C(NC=N)C(C)=CF;IFFHRMRDUWAYJA-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382568;MM382568;C#CCOC(C#N)=CC#N;BJPACMJOSBLEDR-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382569;MM382569;CC(=NN)C(=CN)NC=N;FXZYNLZNRDDFCZ-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382570;MM382570;C#CCOC(C=O)=NN=C;VSJXGNQEYZPTDE-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382571;MM382571;CC(=NO)C(=CN)NC=O;SQMQMCHFYONTDA-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382572;MM382572;C#CCOC(C#N)=NN=C;MZNIKRYSTDSGEN-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382573;MM382573;CC=C(C)C(=NC)NC=N;GXUQKERDDKCLAT-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382574;MM382574;C#CC=C(C=C)CCCC;RBRSNZUHFJEQHW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382575;MM382575;C=C(C=CC)C1C(C)C1O;OXDYWKNDKLCLDY-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382576;MM382576;C#CC=C(C=C)CCCN;XLTCUWUVZMZVRF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382577;MM382577;O=CCOCC=NOC=O;CTSYORVJTUVZHO-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382578;MM382578;C=CC=C1C=CC(C)(O)C1;QVVOEDBMIZITPG-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382579;MM382579;CC=C(C)C(=NN)NC=N;QIXUBLRENGUQPS-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382580;MM382580;C#CC=C(C=O)CCCC;DSDBNFPSKHSNGQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382581;MM382581;CC=C(F)C(=NN)NC=O;XZVMPSGISBCQKR-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382582;MM382582;C#CC=C(C#N)CCCC;ZTRWDYLURLNTFC-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382583;MM382583;CC=NN=CCOCC=O;CLSDQKBDUXEZON-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382584;MM382584;C#CC=C(C#N)CCCO;UBVXQRVJKKWKOK-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382585;MM382585;CC=C(F)C(=NO)NC=O;YXLMGAKTRZVALX-UHFFFAOYSA-N;146.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382586;MM382586;C#CC=C(C=O)CCCF;YVBSLHDIDSMBRV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382587;MM382587;C=CNC(=NO)C(F)=CN;NDNVLHFRPWDWSA-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382588;MM382588;C#CC=C(C=C)CCNC;JLYVJCWXPVGHKS-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382589;MM382589;CCC=NN=CNOC=O;NRULFJYHWAQABE-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382590;MM382590;C#CC=C(C=C)CCOC;YYJSEMJGKBRZNC-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382591;MM382591;C=CC=NN=CNOC=O;SMKRBXNIZJJFRL-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382592;MM382592;C#CC=C(C#N)CCOC;JELRSQXPHCEBDZ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382593;MM382593;C#CCCC1C(O)C1CC;CMDXSZVZIIEGEL-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382594;MM382594;C#CC=C(C=O)COCC;XOUGZKILVUGRGP-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382595;MM382595;C=c1cc2c(n1C)=NNC2;LMOZUPRVPIFCEC-UHFFFAOYSA-N;135.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382596;MM382596;C#CC=C(C#N)COCC;JQLVSDBDKNZMQU-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382597;MM382597;C#CC1CCC(O)C1;FBBIETQKPXKFIU-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382598;MM382598;C#CC=C(C=C)OCCC;LZZNBNYTLFEGSR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382599;MM382599;C#CC1CC1C(C)O;SMZGMWZHFNURSN-UHFFFAOYSA-N;110.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382600;MM382600;C#CC=C(C=C)OCCF;FWUDDUQHKGMFTK-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382601;MM382601;NN=C(OC=O)C(F)=CF;CZVABFKYECYZIZ-UHFFFAOYSA-N;150.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382602;MM382602;COn1cc(O)nn1;DCDNLCQTIMQWEZ-UHFFFAOYSA-N;115.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382603;MM382603;C#CC=C(C=O)OCCC;GYENIZDGBRUZNU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382604;MM382604;C=CCN1CC1C=O;RCGCGYSUHDPJMV-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382605;MM382605;C#CC=C(C#N)OCCC;DQKNOEYXJRPNCT-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382606;MM382606;O=CC1CN1C1CC1;ASIRAINYTDUHFJ-UHFFFAOYSA-N;111.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382607;MM382607;C#CC=C(C=O)OCCF;HNOVCYKTTCEURJ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382608;MM382608;C=CCC(=C)CC(C)O;MRYWUMZSGLLEBT-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382609;MM382609;C#CC=C(C#N)OCCF;CXMQYSUUMGGLAY-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382610;MM382610;C=COC(=NO)C(C)=NN;ZMFICHCLQPYCSX-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382611;MM382611;C#CC=C(C=C)CCC=C;TZKGKHULQUXIIF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382612;MM382612;C=CC=C(C)CC(C)O;GMPGVPOYZIZZOE-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382613;MM382613;C#CC=C(C=C)CCC=O;WAXQFHSXNOYIDV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382614;MM382614;C#CCC(=CF)C(C)=CF;OXQBHRSTDCBUMQ-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382615;MM382615;C#CC=C(C=C)CCC#N;ZRIVFAQYXWZAMR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382616;MM382616;CNN=CN(N)C=NN;QZFBVCMNWMJVDQ-UHFFFAOYSA-N;130.16;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382617;MM382617;C#CC=C(C#N)CCC=C;VQJSAWFWHHAYLN-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382618;MM382618;C#CC1(C)C(C=O)N1C;WIXOQMYEVAEOGS-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382619;MM382619;C#CC=C(C=O)CCC=O;MBSNUCRCPRSTNC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382620;MM382620;N=C1NC(=NN)OC1=O;HRARLKBZDIPVIL-UHFFFAOYSA-N;128.09;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382621;MM382621;C#CC=C(C#N)CCC#N;RFAQMSVBYVHBTG-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382622;MM382622;C#CCC(=NN)C(C)=NO;QNDWYJSEONXEBO-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382623;MM382623;C#CC=C(C=C)CNC=N;LBIARDQTUMYIFE-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382624;MM382624;CC=CC(=CC)C(C)=NN;KRGRBRVZKVZUEK-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382625;MM382625;CC1(O)C=CC(=CC=O)C1;VXLIZYQDCMHKQC-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382626;MM382626;CC=C(C=CF)C(C)=NN;GGLPNFLQWABCGC-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382627;MM382627;C#CC=C(C=C)CNN=C;NGTGOCNLBIECSF-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382628;MM382628;CC=C(C=NO)C(C)=NN;PVIGDKWXJZEHBC-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382629;MM382629;C#CC=C(C=O)COC=C;AUNVDVCCEMYINM-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382630;MM382630;C=C(C)CN1CC1C=O;OGGKWJBZJMADIE-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382631;MM382631;C#CC=C(C#N)COC=C;YAQBBENIHMUUKN-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382632;MM382632;NC=CC(=NO)C(F)=CN;KXKQCTYWQZVPEH-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382633;MM382633;C#CC=C(C=O)COC=O;YZKKADWHGBTITM-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382634;MM382634;NC=C(F)C(C=NO)=NN;JKYOOOIQVHYLHB-UHFFFAOYSA-N;146.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382635;MM382635;C#CC=C(C#N)COC=O;OBSURTQEOAWWII-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382636;MM382636;CC1CC2CC2(CO)C1;WCANRMPHKFBAOD-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382637;MM382637;C#CC=C(C=C)CON=C;JGSJYPKWYOYIRV-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382638;MM382638;CC1=CCC(CO)C1C;HIKLSNJEXODMOJ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382639;MM382639;C#CC=C(C#N)CON=C;UKJKOVXAKRINQN-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382640;MM382640;CC#CC(=NN)C(C)=NO;RYPJANSODVFHGP-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382641;MM382641;C#CC=C(C=C)OCC=O;GUEVEBKKHKYNGK-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382642;MM382642;CCC(=CCO)C(C)CN;WBIPUNNCYDCOHM-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382643;MM382643;C#CC=C(C=C)OCC#N;ITLPCOHKLAQABZ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382644;MM382644;CCC(=CCO)C(C)CO;WHZIPLLXKMRHBI-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382645;MM382645;C#CC=C(C=O)OCC=C;ZHEZIRDDVUXYJR-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382646;MM382646;CC(CN)C(=CCF)CN;XKLJNNPICPUJNV-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382647;MM382647;C#CC=C(C#N)OCC=C;YSSLHWSPJDNWRP-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382648;MM382648;CCC=C(CN)C(C)CO;IZFNMLVMSPTMEG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382649;MM382649;C#CC=C(C=C)CCC#C;DZSSZUULHPQJRT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382650;MM382650;CC(CF)C(=CCN)CN;WTZJKXXNSGEXJD-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382651;MM382651;C#CC=C(C#N)CCC#C;URSNJLJEUPTMLM-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382652;MM382652;CC(CF)C(=CCN)CO;GNSOYOHDZSXVCK-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382653;MM382653;C#CC=C(C=C)OCC#C;JEHQTUHLQUMVQQ-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382654;MM382654;CCC(=CCO)C(N)CC;WJSMPOLAHZGBCB-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382655;MM382655;C#CC=C(C=O)OCC#C;ZEKZWCBLBOVRNP-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382656;MM382656;CCC=C(CC)C(N)CN;DDIATABUSNNLRQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382657;MM382657;C#CC(=CCC)CCCC;MWBLOGJALJHETB-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382658;MM382658;CCC(=CCN)C(N)CF;JRMIJFJEDSIMHY-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382659;MM382659;C#CC(=CCC)CCCN;XJUHCXLZXNRHOU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382660;MM382660;CCC=C(CN)C(N)CN;CJQDGRQMNSZTPN-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382661;MM382661;C#CC(=CCC)CCCF;AYBNJVAYHJEUNY-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382662;MM382662;CCC=C(CN)C(N)CF;QQQHACMKVKQZDG-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382663;MM382663;C#CC(=CCN)CCCN;SEKCFXSRQMZSDL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382664;MM382664;CCC(N)C(=CCF)CO;KEZVBJCYQGJYLK-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382665;MM382665;C#CC(=CCO)CCCO;QHXMUTUDYVNAHU-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382666;MM382666;CCC=C(CO)C(N)CN;QPJCHCMCKSDNNE-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382667;MM382667;C#CC(=CCC)CCNC;JQKBOUIZPSLMIC-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382668;MM382668;NC(CO)C(=CCO)CO;BOPBMCDYWOHZNM-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382669;MM382669;C#CC(=CCC)CCOC;DXRBHZGAFZLDJO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382670;MM382670;CCC(N)C(=CCN)CF;QFKLLRDPFUIRCD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382671;MM382671;C#CC(=CCN)CCOC;MCQWEZFUWHDQRP-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382672;MM382672;CCC(N)C(=CCO)CF;IWHWXRGAWXOZFM-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382673;MM382673;C#CC(=COC)CCCO;GBUVVGIUCWXDCR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382674;MM382674;CCC(=CCN)C(O)CO;AYAIMNZBRGVGIN-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382675;MM382675;C#CC(=COC)CCOC;ICUVYOVHXAUFDJ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382676;MM382676;CCC(=CCO)C(O)CO;XTBGYQFOWYWZSY-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382677;MM382677;C#CC(=CCC)COCC;HXIZLCXWVLFMJA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382678;MM382678;CCC(=CCO)C(O)CF;YVNHSURSMMPZON-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382679;MM382679;C#CC(=CCN)COCC;STUFLCFMLWTQRS-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382680;MM382680;CCC=C(CN)C(O)CO;JKZMEZMJMCFVNG-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382681;MM382681;C#CC(=COC)COCC;CEGDRPCSQPOQCK-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382682;MM382682;CCC=C(CO)C(O)CN;VRHSGIXGVSFDDE-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382683;MM382683;C#CC(CCCC)=NOC;HIQOSPGFOIEOSI-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382684;MM382684;NCC(O)C(=CCO)CO;CMSBZGSFUHOXHO-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382685;MM382685;C#CC(COCC)=NOC;OYIBBGCCVRNZBR-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382686;MM382686;CCC=C(CO)C(O)CO;NMRJCRBXTXYUPV-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382687;MM382687;C#CCC1=CC(C)(O)CC1;RVBXGVXCWMRPOT-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382688;MM382688;NCC=C(CO)C(O)CO;LCXQVVXACNXUDP-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382689;MM382689;C#CC(=CCC)OCCC;ZVRXMHBLHPNBDA-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382690;MM382690;OCC=C(CO)C(O)CO;OLXJQCREHZIYEV-UHFFFAOYSA-N;148.16;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382691;MM382691;C#CC(=CCC)OCCN;MYLVOCIIZHLQNT-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382692;MM382692;C#CC(=CCN)OCCC;ZOSBERHZXRSEBU-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382693;MM382693;OCC=C(CO)C(O)CF;SIFCDXHRORKYPJ-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382694;MM382694;C#CC(=CCF)OCCF;RHWPUPCHFRKOND-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382695;MM382695;OC(CF)C(=CCF)CF;SDBCSKABJCBZHW-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382696;MM382696;C#CC(=CCN)OCOC;RVDPQYGELOYGTM-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382697;MM382697;CCC(=CCO)C(F)CC;WTSTUHJQXRXKAI-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382698;MM382698;C#CC(=CCO)OCOC;RUTIDAZRRJWPRD-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382699;MM382699;CCC(=CCO)C(F)CN;RBLHBVQKVBRHDT-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382700;MM382700;C#CC(=COC)OCCO;HJKKFYDUSMHMIM-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382701;MM382701;NCC(F)C(=CCF)CO;KACKXEKRTVDNBK-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382702;MM382702;C#CC(=NNC)OCCN;RQYJZZWHLVOICO-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382703;MM382703;OCC=C(CO)C(F)CO;XSSIVUIVPNJDLO-UHFFFAOYSA-N;150.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382704;MM382704;C=C(CCC)CC1(O)CC1;AJENDEGWHZFCNH-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382705;MM382705;NCC(F)C(=CCO)CF;CVMQTCYYPBLDFH-UHFFFAOYSA-N;151.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382706;MM382706;C#CC(=NOC)OCCC;WTHARMBNTSPOKV-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382707;MM382707;OCC(F)C(=CCF)CF;WMWVCWVTYPYDMD-UHFFFAOYSA-N;154.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382708;MM382708;C#CC(=CCC)CCC=C;NYPIACZDKYTLOS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382709;MM382709;CCC(=COC)C(N)CN;XNAMLGUZOIJDBI-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382710;MM382710;C#CC(=CCC)CCC=O;GNGPVVXRCFWDBO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382711;MM382711;COC=C(CO)C(N)CN;UUSQKFBSCCVKPN-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382712;MM382712;C#CC(=CCC)CCC#N;HFMSKQRRTVHRMT-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382713;MM382713;COC=C(CO)C(N)CO;IRFYMYKVFMSHAL-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382714;MM382714;C#CC(=CCN)CCC=C;ZWPCXJFIXWZOKN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382715;MM382715;CCC(=COC)C(O)CN;ILJMDDIZTWYCLO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382716;MM382716;C#CC(=COC)CCC#N;CDEGZASZUBTZFT-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382717;MM382717;COC=C(CO)C(O)CN;PCNSPTMUEYUWCU-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382718;MM382718;C#CC(=CCC)CNC=N;VMPUBNGFGQNTDJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382719;MM382719;COC=C(CO)C(O)CO;PYXLYZKBFYBXJO-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382720;MM382720;C#CC(=CCN)CNC=O;FQCAJXJBRLONPC-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382721;MM382721;COC=C(CO)C(O)CF;NAPYAONQLDVLOL-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382722;MM382722;C#CC(=CCO)CNC=N;RJZXZAAPPJGVCJ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382723;MM382723;COC=C(CF)C(O)CO;ZMTFFEQJPKOBMD-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382724;MM382724;C#CC(=CCF)CNC=O;ARUJVUZXHQZVNI-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382725;MM382725;COC=C(CO)C(F)CO;FKYSUQYGWZQEOK-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382726;MM382726;C#CC(=CCC)CNN=C;FFHGJOCYDBMGNI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382727;MM382727;CNC(C)C(=CCF)CN;RQTJKNHESXCVNS-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382728;MM382728;C#CC(=COC)CNC=N;WOPJZAXTKFYCLC-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382729;MM382729;CNC(C)C(=CCF)CO;PNDBGYQTEUJKPB-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382730;MM382730;C#CC(=COC)CNC=O;CFVDMDBXIAAKCL-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382731;MM382731;COC(C)C(=CCF)CO;QJNIETCVMYISLE-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382732;MM382732;C#CC(=CCC)COC=C;SEKFFCUFCQGAJN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382733;MM382733;COC(=CCO)C(N)CN;FXEZIIYWVJXEQW-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382734;MM382734;C#CC(=CCN)COC=O;USCWNQCDEIPMCH-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382735;MM382735;COC(=CCN)C(N)CO;AWXQWLWHXNLIFQ-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382736;MM382736;C#CC(=CCC)CON=C;ZVJUALJWUYPPKC-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382737;MM382737;CCC(O)C(=CCO)OC;VIUYKFPXKVQLKT-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382738;MM382738;C#CC(=COC)COC=C;SSUPOIYBIHHELQ-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382739;MM382739;COC(=CCO)C(O)CN;MVKJFAHWTXLCGE-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382740;MM382740;C#CC(=COC)COC=O;SOHIJSVBUXIWAJ-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382741;MM382741;CCC=C(OC)C(O)CO;SBVSHMPVSUVFEW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382742;MM382742;C#CC(=COC)CON=C;FNGFAHVYERRNIX-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382743;MM382743;COC(=CCN)C(O)CO;ZVAJNBUOOYAVHA-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382744;MM382744;C#CC(CNC=N)=NNC;RWQNRVPLUNJOME-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382745;MM382745;COC(=CCO)C(O)CO;ZSVWJSBCTRVVPG-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382746;MM382746;C#CC(C)(C)C1C(C)C1O;PUEJCAXBWWNLCP-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382747;MM382747;COC(=CCF)C(O)CO;DBWXSQAXWQGYGQ-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382748;MM382748;C#CC(CNN=C)=NOC;KUMLACFIRVRNLJ-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382749;MM382749;COC(=CCN)C(O)CF;QYEIVSNIVBGHIZ-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382750;MM382750;C#CC(CON=C)=NNC;SUDGDLDQTHEYPP-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382751;MM382751;COC(=CCO)C(O)CF;QIBBVQCSVYTOEI-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382752;MM382752;C#CC(COC=C)=NOC;RPVKBEAUKMOONZ-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382753;MM382753;COC(=CCF)C(O)CF;SFOQXEVFJWFDSS-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382754;MM382754;C#CC(=NCC)NNC=N;IQOOXGDSXYPEIJ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382755;MM382755;COC(=CCN)C(F)CO;PBQJNSCQZKMJAE-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382756;MM382756;C#CC(=NCC)NOC=O;JXMQIMCRWFGRIN-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382757;MM382757;COC(=CCO)C(F)CO;NGZNCUXYOPULFB-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382758;MM382758;C#CC(=CCF)OCC#N;RLVUUZGFBYHOHD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382759;MM382759;COC(=CCF)C(F)CO;NYGPFMABVSRFPB-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382760;MM382760;C#CCCC(C#C)=CCC;JGHZSDRWPNISQS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382761;MM382761;COC=C(OC)C(C)CO;CZYYQCXZSRGYMB-UHFFFAOYSA-N;146.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382762;MM382762;C#CCCC(C#C)=CCN;ITNLCPBVMCNWRH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382763;MM382763;COC=C(OC)C(N)CN;AGPVILGWMGRQID-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382764;MM382764;C#CCCC(C#C)=NOC;DHMGRIJIZSWYPG-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382765;MM382765;CCC(O)C(=COC)OC;BHIVYSYUHPYWHX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382766;MM382766;C#CCNC(C#C)=NOC;YWNXBROIRZYBTR-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382767;MM382767;CNC(C)C(=COC)OC;CHNNDWWUDVPSFS-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382768;MM382768;C#CCOC(C#C)=CCC;ARVOWRMPPCMZGO-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382769;MM382769;COC(=CCN)C(C)OC;RDFRGWYGJCNORB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382770;MM382770;C#CCOC(C#C)=COC;GEEDZKBJTXLIPJ-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382771;MM382771;COC=C(OC)C(C)OC;RGFCFIPRMSCEKJ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382772;MM382772;C#CCOC(C#C)=NOC;XFTCGNYUTGPMDF-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382773;MM382773;CNN=C(CO)C(C)CN;CPJLOSWYQOHLOK-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382774;MM382774;C#CC(=CC=C)CCCC;TYHLNROXAUXRGS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382775;MM382775;CCC(=NNC)C(N)CC;KIOUKLCXUAXCLI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382776;MM382776;C#CC(=CC=C)CCCN;QEBSUBBBVFTBPI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382777;MM382777;CNN=C(CN)C(N)CN;JRGKRJREEGEVQZ-UHFFFAOYSA-N;145.21;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382778;MM382778;C#CC(=CC=C)CCCO;GRPWFDJFFAADPO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382779;MM382779;CNN=C(CO)C(N)CN;JRFRQPJXJGAOOP-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382780;MM382780;C#CC(=CC=C)CCCF;AKYQACUAKGBHAP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382781;MM382781;C#CC(F)C(CC)=NN;APUOYZMFTWTWDY-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382782;MM382782;C#CC(=CC#N)CCCC;AMLFCKATPLTQTR-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382783;MM382783;CNN=C(CN)C(O)CN;RROYTPWXLNJZCX-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382784;MM382784;C#CC(=CC#N)CCCF;HOSXKNOSXUUSBZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382785;MM382785;C=CC(C=O)ON=CC;YDRPZPGNUXOEMT-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382786;MM382786;C#CC(=CC=C)CCNC;GSNGOJPYQZLPEB-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382787;MM382787;CNN=C(CO)C(O)CN;OJYVXBGOOLJOGN-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382788;MM382788;C#CC(=CC=C)CCOC;WBKXDGCUGJISJN-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382789;MM382789;CC1CCC2(CO)CC12;OFHRZDSCTUHSCF-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382790;MM382790;C#CC(=CC#N)CCOC;VPLXYJYELJUEGD-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382791;MM382791;CNN=C(CO)C(O)CF;SLJBADNMAHAJKM-UHFFFAOYSA-N;150.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382792;MM382792;C#CC(=CC=C)COCC;KXCGCXNQJQVIFY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382793;MM382793;CNN=C(CF)C(O)CN;FEQWELPKTNKKCW-UHFFFAOYSA-N;149.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382794;MM382794;C#CC(=CC=O)COCC;DSLFJRYJTWKGIF-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382795;MM382795;CC1CC1C1(CO)CC1;URWBYTXXTNSJMZ-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382796;MM382796;C#CC(=CC#N)COCC;ZLTBJZUSCPWYEG-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382797;MM382797;CNN=C(CF)C(O)CF;LAXVGANWHCJQRK-UHFFFAOYSA-N;152.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382798;MM382798;C#CC(=NCCN)NC=N;LLDXZFPSKVXVIG-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382799;MM382799;CCC(C)N1CC1C=O;SNRPMKFTGRMYGO-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382800;MM382800;C#CC(=NCCN)NC=O;ZWJWYZMQZOXAIQ-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382801;MM382801;CNN=C(CF)C(F)CN;ASTBXVCVYFZTOY-UHFFFAOYSA-N;151.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382802;MM382802;C#CC(=NCCO)NC=O;PEBZXXJNSDGVTJ-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382803;MM382803;CCC(=NOC)C(C)CN;ICNNTVWGJBJVGT-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382804;MM382804;C#CC(=CC=C)OCCF;SOIYCVYIDPLHGH-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382805;MM382805;CON=C(CN)C(O)CF;GXTNNUJFXPOAKZ-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382806;MM382806;CON=C(CO)C(O)CN;SGNAKOXNCUTWOL-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382807;MM382807;C#CC(=CC=O)OCCC;NMCRWYNCQXZBRJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382808;MM382808;CON=C(CO)C(O)CO;XQNPSFAQDKVYJB-UHFFFAOYSA-N;149.15;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382809;MM382809;C#CC(=CC#N)OCCC;YSMHFODNEZGIMM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382810;MM382810;CON=C(CO)C(O)CF;TYQBQSKLUDHQEX-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382811;MM382811;C#CC(=NN=C)OCCC;KDQKKWCQFOQLOV-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382812;MM382812;CON=C(CN)C(F)CO;GZGQMWMOGZDPOY-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382813;MM382813;C#CC(=NN=C)OCOC;XUJCQWBJFMRZTH-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382814;MM382814;CON=C(CN)C(F)CF;VRVFEXNJBLSEQR-UHFFFAOYSA-N;152.14;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382815;MM382815;C#CC(=CC=C)CCC=C;YWTVWJOXMDGXLX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382816;MM382816;CON=C(CO)C(F)CO;ZNAWVZMBDDRZCE-UHFFFAOYSA-N;151.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382817;MM382817;C#CC(=CC=C)CCC=O;XSMKBOUBSFUDEE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382818;MM382818;CC=CCN1CC1C=O;GNYUKFHOSAWBQK-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382819;MM382819;C#CC(=CC=C)CCC#N;LVJWHQVALHNNJT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382820;MM382820;CCC(O)C(=NO)NOC;DGMMRWSKAVLING-UHFFFAOYSA-N;148.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382821;MM382821;C#CC(=CC#N)CCC=C;VZDUTWPJIHGYJL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382822;MM382822;CNN=C(OC)C(C)CN;PLEALOKGCOENBG-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382823;MM382823;C#CC(=CC#N)CCC#N;LKOZEEZABAAYIP-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382824;MM382824;CNN=C(OC)C(O)CN;ZTSLMBJCPLACLC-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382825;MM382825;C#CC(=CC=C)CNC=N;QBGHYRQAVZOBJJ-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382826;MM382826;CON=C(OC)C(N)CN;CRFYHLSUYAGSMF-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382827;MM382827;C#CC(=CC=C)CNC=O;SJTGLYKMYBGOKO-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382828;MM382828;CON=C(OC)C(O)CN;DBKSZUVLKBXJKG-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382829;MM382829;C#CC(=CC=C)CNN=C;IDXAARARYRESIX-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382830;MM382830;CON=C(OC)C(O)CO;MNRWMTPEXGAAKM-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382831;MM382831;C#CC(=CC=C)COC=C;GJPCZWLTHZNBAL-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382832;MM382832;CON=C(OC)C(O)CF;GMUSBWXSRANSJZ-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382833;MM382833;C#CC(=CC=C)COC=O;WYZPCKVQXPTUEN-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382834;MM382834;CON=C(OC)C(F)CN;ZCIUGFXMZHRGTJ-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382835;MM382835;C#CC(=CC#N)COC=C;DMRYMBGNQMMSKL-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382836;MM382836;CON=C(OC)C(F)CO;DRYARHPEFMIYKM-UHFFFAOYSA-N;151.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382837;MM382837;C#CC(=CC#N)COC=O;UAAKCUHUQVLYRP-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382838;MM382838;CON=C(OC)C(C)OC;FBXRAMZNLUHBOE-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382839;MM382839;C#CC(=CC#N)CON=C;WUDVIWBZPSIWPE-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382840;MM382840;C=CC=CC(O)C1CC1;SITUMDJRFFUWBG-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382841;MM382841;C#CC(CCC#N)=NN=C;UQEKVVRTJNZPHV-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382842;MM382842;CCN(C)C(CF)=NOC;YRGUDMOXHPVPAI-UHFFFAOYSA-N;148.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382843;MM382843;C#CC(CNN=C)=NN=C;BCPPSLBEOQJPHS-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382844;MM382844;CC1CC1N1CC1C=O;KNEYPTPQHGCBJD-UHFFFAOYSA-N;125.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382845;MM382845;C#CC(COC=O)=NN=C;YQAPQXUGSPQOOI-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382846;MM382846;CCN=C(CN)N(C)NC;MJSQPSAGKDLPGS-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382847;MM382847;C#CC(CON=C)=NN=C;VVYWWSKHOJJYQD-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382848;MM382848;CCN=C(CO)N(C)NC;JWZJUIMZRGEXSW-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382849;MM382849;C#CC(=CC#N)NCC#N;CPDINRDJZVSLPN-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382850;MM382850;CC(=CC(C)(C)O)C(C)C;BZEOWUTVCHJBOA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382851;MM382851;C#CC(=CC=O)NNC=N;PWPDACVAJKHVNR-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382852;MM382852;CC(=O)C=C(C)CC(C)O;FLQXZJKSEILEBI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382853;MM382853;CCC(=CC(C)(C)O)CC;WMLQMNHRQRRQON-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382854;MM382854;C#CC(=NCC#N)NC=O;YSQACWNVEWUNEZ-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382855;MM382855;CCN=C(NN)N(C)CC;UAHBYFPXZIXPKI-UHFFFAOYSA-N;144.22;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382856;MM382856;CC1(CO)CC2CC2(C)C1;XDMSUABUQHGAEN-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382857;MM382857;CCN=C(NO)N(C)CC;SOKOVKLMSZRWMV-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382858;MM382858;C#CC(=NN=C)NNC=N;MALCCJGFMSVCOK-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382859;MM382859;CCN(C)C(=NNC)NN;BVXHOJVODOHCCL-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382860;MM382860;C#CC12CC(=C)C(O)(C1)C2;HGDBJQONUDRHEY-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382861;MM382861;CCN(C)C(=NNC)NO;OPQMCFDFGCHPIZ-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382862;MM382862;C#CC(=NN=C)OCC=O;QYGXDBDDSNLCAG-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382863;MM382863;CCN(O)C(=NNC)NC;NJWJMPYOLNOVHE-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382864;MM382864;C#CCCC(C#C)=CC=C;OTKGQXGQKAJLJJ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382865;MM382865;C#CC(C)CC(O)C=CC;XETGNZFOCUBWJG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382866;MM382866;C#CCCC(C#C)=CC#N;TVJYOEYETUYKOG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382867;MM382867;CC=CC(O)CC(C)=CC;LTYHJHSATRMZEV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382868;MM382868;C#CCN=C(C#C)NC=O;ANLGUXOSYJWMEN-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382869;MM382869;C=CCC(O)C=C(C)CC;RAVAJFNAPZZBQR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382870;MM382870;C#CCOC(C#C)=CC=C;DYNNZKPLNUPNMZ-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382871;MM382871;CCN=C(NN)N(C)NC;QAKADZXMBIMZEG-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382872;MM382872;C#CCOC(C#C)=CC#N;JNHFRMXCJCFTEA-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382873;MM382873;CCN=C(NO)N(C)NC;ZFNHJNOGJRLADZ-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382874;MM382874;C#CCOC(C#C)=NN=C;LASNKBNFSUFWHI-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382875;MM382875;CNN=C(NC)N(C)NC;ULTMOOOQEVIQMP-UHFFFAOYSA-N;145.21;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382876;MM382876;C#CC=C(C#C)CCCC;PFZATKWIJOGYIJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382877;MM382877;CNN=C(NN)N(C)NC;NHCBXTQQHLMLRZ-UHFFFAOYSA-N;146.2;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382878;MM382878;C#CC=C(C#C)CCCN;IPGIQVVEGICCIW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382879;MM382879;C#CCC1CC(O)(C=C)C1;LPKHSPCAMKTAQP-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382880;MM382880;C#CC=C(C#C)CCCO;CDIRCVTUKOJQLJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382881;MM382881;CCN=C(NC)N(C)OC;BCIROCSYPJVMHA-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382882;MM382882;C#CC=C(C#C)CCNC;SMNHGDITTGQHIR-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382883;MM382883;CNN=C(NN)N(C)OC;MBIIMHWEJIIZFM-UHFFFAOYSA-N;147.18;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382884;MM382884;C#CC=C(C#C)CCOC;LXXWMBRZBKDFPG-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382885;MM382885;COCON=C(C)C(C)=O;OQLOHISCAKSANQ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382886;MM382886;C#CC=C(C#C)COCC;NJONMWCKDPOCCP-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382887;MM382887;CCN(C)C(=NOC)OC;VUKHBKQOHQQUIM-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382888;MM382888;C#CC=C(C#C)OCCC;TZWQZXXJMFRYCH-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382889;MM382889;CNN=C(C(C)F)N(C)C;FXGSVXHWGWQZDF-UHFFFAOYSA-N;147.2;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382890;MM382890;C#CC=C(C#C)OCCN;RTZYYSYFZOTYNJ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382891;MM382891;C=CC=C(CN)C(C)CO;JELIIDCRYINPHS-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382892;MM382892;C#CC=C(C#C)OCCF;RSAKKRJXZNWRDE-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382893;MM382893;C=CC=C(CO)C(C)CN;WKPVUDYLOZELOL-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382894;MM382894;CC(CO)C(=CC=O)CO;RPNVZBAOZBEMOS-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382895;MM382895;C#CC=C(C#C)OCOC;QMVQAXQZBRFVMW-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382896;MM382896;C=CC=C(CC)C(N)CO;VXBIEDRAODNBJF-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382897;MM382897;C#CC=C(C#C)CCC=C;HUIVIOYEENUMIL-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382898;MM382898;CCC(=CC#N)C(O)CC;KCQRYRAWAJICOU-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382899;MM382899;C#CC=C(C#C)CCC=O;OXQIFNFVCRPZMA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382900;MM382900;C=CC=C(CC)C(O)CN;UVRDMQBQLFJAHI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382901;MM382901;C#CC=C(C#C)CCC#N;DZYAGTVWWZKMNR-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382902;MM382902;C=CC=C(CN)C(O)CC;UVFVKALPEKOLMS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382903;MM382903;C#CC=C(C#C)CNC=O;WBSPWICGWUIXOG-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382904;MM382904;C=CC=C(CN)C(O)CN;HEUUJKIBXPOXKL-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382905;MM382905;C#CC=C(C#C)CNN=C;ZLDUZQXUKILNKX-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382906;MM382906;C=CC=C(CF)C(O)CN;UFCVRNAFHBQAGQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382907;MM382907;C#CC=C(C#C)COC=C;BJGFCIAIMPCCMI-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382908;MM382908;O=CC=C(CF)C(O)CF;SEQZNTOILURBRK-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382909;MM382909;C#CC=C(C#C)COC=O;QQSLYMVWCMFSOB-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382910;MM382910;CCC(=CC=O)C(C)NC;HFTAZEIULUJJMU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382911;MM382911;C#CC=C(C#C)CON=C;HGOACUUPMNEMDO-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382912;MM382912;CCC(=CC#N)C(C)NC;UWRWKSVANUBAIS-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382913;MM382913;C#CC=C(C#C)OCC=C;OXTKYGRUXOFIJK-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382914;MM382914;C=CC=C(CN)C(C)NC;QPVUGTYMPDKGPD-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382915;MM382915;C#CC=C(C#C)OCC=O;RNJAJRLIKXGMBE-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382916;MM382916;CNC(C)C(=CC=O)CO;PXMYTTDQXQDTED-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382917;MM382917;C#CC=C(C#C)CCC#C;FKSZLSXIBMGEPB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382918;MM382918;CNC(C)C(=CC=O)CF;RTTDZOAADBMERP-UHFFFAOYSA-N;145.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382919;MM382919;C#CC=C(C#C)OCC#C;MUWFQZQLDHLTFH-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382920;MM382920;CCC(=CC#N)C(C)OC;WSSLKAXLRBWATI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382921;MM382921;NCC=C(CN)CC=CF;JGZSBIVFCNNWBP-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382922;MM382922;COC(C)C(=CC#N)CF;CHLSKWOOOGKNJQ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382923;MM382923;NCC(=CCO)CC=CF;VDBUXIDXSILLNA-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382924;MM382924;CNC(=CC=O)C(F)CO;KLGVLXATTCGJKC-UHFFFAOYSA-N;147.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382925;MM382925;CCC(=CCN)CC=NO;BPNWMOINCLMKEU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382926;MM382926;C=CC=C(OC)C(O)CO;GOGNMZBOVPJVLW-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382927;MM382927;NCC=C(CN)CC=NO;UMLMPQUQRLOROE-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382928;MM382928;COC(=CC=O)C(O)CO;AEUISJYINRVUTH-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382929;MM382929;CCC=C(CO)CC=NO;DXWBKBNJJJYVHV-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382930;MM382930;COC(=CC#N)C(O)CF;AFXIUXAIQWHCPV-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382931;MM382931;OCC=C(CO)CC=NO;NLYYEKVXNAZLMF-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382932;MM382932;C=NN=C(CN)C(C)CN;YMRJRTDZGQXUJH-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382933;MM382933;OCC=C(CF)CC=NO;ZVMNCOPKZJUIDA-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382934;MM382934;C=NN=C(CF)C(C)CN;LWLKPAANDUDIOW-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382935;MM382935;COC=C(CC=NN)OC;FDPDODQNQBRBKZ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382936;MM382936;C=NN=C(CC)C(N)CC;JQLKHGAXDJDMMZ-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382937;MM382937;COC=C(CC=NO)OC;HDWMVGRLYXLAMK-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382938;MM382938;C=NN=C(CC)C(N)CN;SSSJFFAJGCDSJS-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382939;MM382939;CCC(CC=CF)=NNC;JNYBYURJSSMCHU-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382940;MM382940;C=NN=C(CO)C(N)CN;QWCUCVNYICRJTA-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382941;MM382941;CNN=CNN=CC(C)C;LBPYPFJWYLJOOZ-UHFFFAOYSA-N;142.21;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382942;MM382942;C=NN=C(CO)C(O)CN;KMQMZOFCZCLQHP-UHFFFAOYSA-N;145.16;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382943;MM382943;CCC(CC=CF)=NOC;PFNUOKQRFMQJEH-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382944;MM382944;C=NN=C(CO)C(O)CO;JLJVYRRRLNJBMZ-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382945;MM382945;CCC(CC=NN)=NOC;RPNCHMWHURIXPK-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382946;MM382946;C=NN=C(CO)C(O)CF;CZIRZPVUJKJGQR-UHFFFAOYSA-N;148.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382947;MM382947;CCC(=CCN)N=CNO;ZJJAWLABXOGMTK-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382948;MM382948;C=NN=C(CO)C(F)CF;GFUMIAUSZIFJCG-UHFFFAOYSA-N;150.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382949;MM382949;NCC=C(CN)N=CNO;JROAMPACTCIQNK-UHFFFAOYSA-N;144.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382950;MM382950;C=NN=C(CO)C(C)OC;GNPWKIGPJSLOEJ-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382951;MM382951;CN=CNC(=CCO)CO;MSZHGUBMPZKLEM-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382952;MM382952;C=NNC(=NO)C(C)OC;BIZOQFLVHHCMNH-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382953;MM382953;CC1C(CCC#N)C1(C)O;UCUCKECRIPWPKW-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382954;MM382954;C=NN=C(OC)C(C)CN;COJWFGPNZVKYLG-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382955;MM382955;CCC=C(NC=NC)OC;IROSRWTVTAALRZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382956;MM382956;C=NN=C(OC)C(C)CO;HXFYTHCGOUFCOZ-UHFFFAOYSA-N;144.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382957;MM382957;CCC=C(NC=NO)OC;BCJFVQGCEZNKFK-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382958;MM382958;C=NN=C(OC)C(O)CC;CORBJBVWMLJFJF-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382959;MM382959;COC(=CCN)N=CNO;IZLQIWQPCKRUPE-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382960;MM382960;C=NN=C(OC)C(F)CC;IFKIEELWTASPBK-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382961;MM382961;CCN=C(CC)NC=CF;DHFVDMOGGFOUSY-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382962;MM382962;C=NN=C(OC)C(C)OC;YBTRHXLKKNJKDD-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382963;MM382963;CC=CNC(CN)=NCC;QEVNEVVSCDXGNR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382964;MM382964;NN=Cn1nc(N)c(=O)o1;CBAHGXIOIIQAOS-UHFFFAOYSA-N;143.11;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382965;MM382965;CC=CN=C(CO)NCC;JIYMCXBWTDBSRL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382966;MM382966;C=NN(C)CCC(=O)C=O;FJSYUOTYCPKMBP-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382967;MM382967;CCN=C(CC)N=CNC;XQKWSILBKZLPJN-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382968;MM382968;C#CC1=CC(C)(CO)C=C1;NQZIJTGMKDRYMD-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382969;MM382969;CCNC(CC)=NC=NO;GLCFAHHZPQIXFZ-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382970;MM382970;CCC(=NC=O)N(N)CC;HFCRUTQLTTZACX-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382971;MM382971;CC#CC(=O)CNCC#N;LQDLOAAVYGYOSM-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382972;MM382972;C#CC1(C#N)NC1C(C)=O;DZXTWBAASKQOPH-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382973;MM382973;COCC(F)C#CC=NN;SEIWJEATAIARGX-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382974;MM382974;CCN(N)C(CF)=NC=O;ZGUGACXPQCLOGE-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382975;MM382975;CNN=C(CCF)NOC;VQRVGGSZALVQJJ-UHFFFAOYSA-N;149.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382976;MM382976;CCN(O)C(CO)=NC=O;ZKDIYTDVTSFBHK-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382977;MM382977;CC#CC(=NNC)NOC;FBZZTBLEYRBYKX-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382978;MM382978;CNN=CN(N)C(C)=NN;KORUYODHJYCQLV-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382979;MM382979;C=C(F)C(=NNC)N(C)C;IPVHTRXTWGLHFX-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382980;MM382980;C#CC(=O)CNN=CCC;YGLRIGROKXJSSN-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382981;MM382981;C#CCC(C(C)=O)=C(N)N;YPCJXXPNICQMLT-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382982;MM382982;N#CCN(C=O)NCC=O;BRWRPQJTNZXLPS-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382983;MM382983;C=CCC1=CC2CC2(O)C1;JVPYHJBJAOOEMN-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382984;MM382984;CON(C)C(CO)=NC=O;WUYXAFAWRHLXKJ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382985;MM382985;CC1C(CF)CC1(C)CO;OUXIIXDAPQWQGQ-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382986;MM382986;C#CCN(C=O)NCC=O;KKCRQDGGQPLAKK-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382987;MM382987;CC=CNC(=NNC)NC;NFEFTZQIKGJKIX-UHFFFAOYSA-N;142.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382988;MM382988;CCN(C)C(=NC=O)NC;MYOPRURSDSOUSB-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382989;MM382989;CCN(O)C(=NC=N)NC;DLHKOXBENPGTEH-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382990;MM382990;CNN=C(NC)NC=CF;HYGMIPLOLXPXJD-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382991;MM382991;C=CCNC(CF)=NNC;ROIOTNMGNWUOSY-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382992;MM382992;CN=CNC(=NNC)NC;NJSXWVVLHRDVOC-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382993;MM382993;CNC(=NC=N)N(C)OC;WHJKLLDHRNBPIB-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382994;MM382994;CNN=C(NC)NC=NO;VIMIXKQEMRCWJS-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382995;MM382995;CON(C)C(=NC=O)NO;SWOSOZVDXPHMEI-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382996;MM382996;CNC=NC(=NNC)NN;BMBTYQMXWPSQJO-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382997;MM382997;CCN(C)C(=NC=O)OC;ZXUOZWFNTDFQCN-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382998;MM382998;CNN=C(N=CNN)NN;FOLATWBCVIUGLH-UHFFFAOYSA-N;145.17;-2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM382999;MM382999;C=NN=C(OC)N(C)CC;PSTJJFQALVZFNJ-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383000;MM383000;CNC=NC(=NNC)NO;PTJGFQHXTBNQBF-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383001;MM383001;C=NN=C(OC)N(N)CC;PJDSEBGQKQMLDI-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383002;MM383002;C#CC1C=CC(C)(CO)C1;RLVRMBBNCADVPA-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383003;MM383003;C=NN=C(OC)N(O)CC;XSVMWLNXOSOSGO-UHFFFAOYSA-N;145.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383004;MM383004;C=CC1(C)CC(C=O)=NN1;ZBRGHNZWKYNQFZ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383005;MM383005;COC(=NC=N)N(C)OC;MYANFXYTDKYTAN-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383006;MM383006;CNC(=NN)OC(C)=NN;FJCDYCXXOZBOSI-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383007;MM383007;C#CC=C(CO)C(C)CN;VUWFLHPUFHRGGU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383008;MM383008;CCC1CC(CC)(CO)C1;ZSTRRSLQTKRRCB-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383009;MM383009;C#CC=C(OC)C(N)CN;DYFNPSRSNGNIKL-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383010;MM383010;CNN=C(NC=NO)OC;XKUCWCJVRJHLFP-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383011;MM383011;C#CC=C(OC)C(O)CN;QHEXEMKELIYABV-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383012;MM383012;CC=CNC(=NOC)OC;AUJWEZDAUHOSQW-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383013;MM383013;CC(C=O)C(=CCO)CO;PCLXKAMLLQALQK-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383014;MM383014;CCC1(CO)CC(CF)C1;RXYUSPZAPRSGJU-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383015;MM383015;C=CC(C)C(=CCN)CF;RAAACMQWCZHUKG-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383016;MM383016;C=CC(=C)C(O)C(C)=CC;IYVXOCWWYBWGRI-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383017;MM383017;C=CC(N)C(=CCC)CO;JIADSWPJSXSXRU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383018;MM383018;C=NN=C(NC=CF)OC;PSXOTKAPCHIYFA-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383019;MM383019;C=CC(N)C(=CCF)CO;WDEQGMCXVUOYLR-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383020;MM383020;CCC=C(CC)OC=CF;MNNXPHZJHLSBMM-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383021;MM383021;C=CC(O)C(=CCF)CN;ZTEYFAKNLKBUQQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383022;MM383022;CC=COC(=CCC)CN;LGOUKDNGJHVUJN-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383023;MM383023;N#CC(O)C(=CCO)CO;QUJHUBGGUWXEBZ-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383024;MM383024;NCC=C(CN)OC=CF;FJPFUONJKKBMTR-UHFFFAOYSA-N;146.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383025;MM383025;COC=C(CF)C(C)C#N;GKMLMBQDSNYEON-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383026;MM383026;CC=COC(=CCO)CN;LLLRAOKXVDMWHU-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383027;MM383027;CCC(=COC)C(O)C#N;ZDBOMMGMXOGKDO-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383028;MM383028;NCC(=CCO)OC=CF;UAWXWUCIPRTVOW-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383029;MM383029;COC=C(CO)C(O)C#N;HIUSCIUBVDNOFC-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383030;MM383030;NCC=C(CO)OC=CF;UQFLRSRRSGOTIO-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383031;MM383031;COC=C(CF)C(O)C=O;HKQISKIXKQNPAW-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383032;MM383032;NCC=C(CN)OC=NO;FAHHTEZMXQLFPE-UHFFFAOYSA-N;145.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383033;MM383033;C=CC(F)C(=COC)CO;ZEJWEBUFOOATGY-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383034;MM383034;NCC(=CCO)OC=NO;LZILRCXUUZFHSZ-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383035;MM383035;COC=C(CO)C(F)C=O;BZOYVBJMUQSTDI-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383036;MM383036;CCOC(=NC=NN)NN;VOMQFPRKKVGYSD-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383037;MM383037;COC(=CCF)C(C)C#N;CADVMKHIIKZKBP-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383038;MM383038;NCC=C(CO)OC=NO;FCQLKQBCPXGTHF-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383039;MM383039;C=CC(N)C(=CCN)OC;KIKSGTQECDMZFA-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383040;MM383040;CC(F)C(C=O)NCC=O;RQKUNUOCAXIHGM-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383041;MM383041;CCC=C(OC)C(O)C=O;ORWLSAGAEDNXAT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383042;MM383042;NCC=C(CF)OC=NO;XZDQQJGKRBDLOU-UHFFFAOYSA-N;148.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383043;MM383043;CCC=C(OC)C(O)C#N;LBLVTCFVJOMGTF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383044;MM383044;OCC=C(CF)OC=NO;FDYCAHFWDFPXAR-UHFFFAOYSA-N;149.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383045;MM383045;COC(=CCO)C(O)C=O;VHAGZYMHWRMFFT-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383046;MM383046;CC=COC(=COC)CN;HGRATMRDHIBJRJ-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383047;MM383047;COC(=CCO)C(O)C#N;UHHCTROVYAWYCG-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383048;MM383048;CC=COC(=COC)CO;OUGZULKDBHZZIN-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383049;MM383049;COC=C(OC)C(C)C=O;DUZMCYWMKXFWMK-UHFFFAOYSA-N;144.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383050;MM383050;COC=C(CO)OC=CF;YPDRAXYWCCQVEA-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383051;MM383051;C=CC(O)C(=COC)OC;CBQYYTSJDHLCJV-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383052;MM383052;CCC(CF)NN=CC=O;JAPARBWKSDFOGT-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383053;MM383053;COC=C(OC)C(F)C#N;YJVJVOQADDTHPO-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383054;MM383054;CCC(=COC)OC=NO;MYVLCNLKXGSSDZ-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383055;MM383055;C=CC(C)C(CC)=NNC;BFSTVUIJDXPVMM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383056;MM383056;COC=C(CN)OC=NO;PLBXSSUATGHBGV-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383057;MM383057;N=CN=C(NN)OC=NN;WTDJCNNULBHKCF-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383058;MM383058;C=NN(C=N)C=NNCC;JTEDKXLJHSMRCV-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383059;MM383059;CNN=C(CO)C(O)C=O;ZFMIENNFRQUREH-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383060;MM383060;COC=C(CF)OC=NO;QZYPJKRFADYDNF-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383061;MM383061;CNN=C(CF)C(O)C=O;IRBURACVDXMNFE-UHFFFAOYSA-N;148.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383062;MM383062;COC1=CC(=O)N(N)CC1;FKOUEAZBQKRQLX-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383063;MM383063;CNN=C(CF)C(O)C#N;MGBMSOUAFBWLRY-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383064;MM383064;N#CC=C1CCC(C=O)N1;DMRHTRCPIZUURI-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383065;MM383065;CCNN=C(OC)C(F)F;QUYKCGLBCNFDFG-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383066;MM383066;CNN=C(CO)OC=CF;GIKLHAGMSKHOQJ-UHFFFAOYSA-N;148.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383067;MM383067;CNN=C(CO)C(F)C#N;KFGNDYUFUHGMMA-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383068;MM383068;CC=Cc1cc(NN)c[nH]1;WKMPWMAJUFVEGP-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383069;MM383069;CNN=C(CF)C(F)C#N;CSPYALFLTAXVMU-UHFFFAOYSA-N;147.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383070;MM383070;CNN=C(CF)OC=NO;HIQOKKQTDGBVOO-UHFFFAOYSA-N;149.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383071;MM383071;C=CC(C)C(CN)=NOC;ZULFZPLGUYNMON-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383072;MM383072;CC=COC(CO)=NOC;JNWUDSCISLCXFF-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383073;MM383073;CON=C(CF)C(O)C#N;HYTQGWOMQJFTRR-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383074;MM383074;CON=C(CO)OC=NO;RWHIBJZLVXHEGZ-UHFFFAOYSA-N;148.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383075;MM383075;CON=C(CF)C(F)C#N;XEIOKSQSEWFZSA-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383076;MM383076;N#Cc1coc(NC=N)n1;RLUSYCRBTZCLKU-UHFFFAOYSA-N;136.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383077;MM383077;CNN=C(OC)C(O)C=O;UBXLIDCRVCPZIO-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383078;MM383078;CNN=C(NN)OC=NO;SSMKNAPTCFKANR-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383079;MM383079;CON=C(OC)C(O)C=O;FDVJBSOOVQQMQH-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383080;MM383080;C=Nn1oc(NC)nc1=O;PAVQOCIVGKXHCV-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383081;MM383081;NN=CNOC(=NN)NN;LQUHXLZZCXJWSL-UHFFFAOYSA-N;147.14;-2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383082;MM383082;CNN=C(NO)OC=NO;MGTUXWMYELWAGB-UHFFFAOYSA-N;148.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383083;MM383083;CCC=C(CO)N(C)C=N;JTWBXZDGQACUJS-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383084;MM383084;CNc1c[nH]c(OC)c1C;VERVRGHEQUWUJQ-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383085;MM383085;CN(C=N)C(=CCN)CO;DACKMKMRFMPXSZ-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383086;MM383086;CN(C=N)C(=CCO)CO;NKLFQDMLQZTAEB-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383087;MM383087;C#Cc1onc(CF)c1N;GGQIQDXMVPGQDZ-UHFFFAOYSA-N;140.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383088;MM383088;CN(C=N)C(=CCF)CO;MTDFQHXNVZDKGV-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383089;MM383089;CC=NOC(CF)=NOC;KJUDQFMASRBTGS-UHFFFAOYSA-N;148.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383090;MM383090;CN(C=O)C(=CCF)CO;NGRCTYJILSQTAF-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383091;MM383091;CC=NOC(=NCC)NC;LXOUONAZEPDFGD-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383092;MM383092;CN(C=N)C(=CCO)CF;VHIVVCFGIHOQGW-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383093;MM383093;C=Cc1c[nH]c(NC)c1C;ZNLAGIYINKGLNU-UHFFFAOYSA-N;136.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383094;MM383094;C=CCc1nc(NC)co1;KKYVUKVAJPSRHX-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383095;MM383095;CN1CC1CC=CCC=O;SMWGCNZVVCXWNU-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383096;MM383096;CCC=C(CO)N(N)C=N;KVLPCXJAFNPWSO-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383097;MM383097;C=CC=C(CC)CC=CC;BCFLKAICQHFZFP-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383098;MM383098;N=CN(N)C(=CCO)CO;KLALXPFMUKALIR-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383099;MM383099;C=CC=C(CC)CC=CF;DPXIQVMVCSOSIU-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383100;MM383100;N=CN(N)C(=CCF)CF;WKJOCHQLDVWWDQ-UHFFFAOYSA-N;149.14;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383101;MM383101;CC=CCC(=CC#N)CC;INEPZNAIKMOYRD-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383102;MM383102;CCC(=CCN)N(O)C=N;GUZULCXFKSQHEU-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383103;MM383103;CCC(=CC#N)CC=CF;XACONKMPQAQAOZ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383104;MM383104;CCC(=CCF)N(O)C=O;BHGFENRCIMUJEK-UHFFFAOYSA-N;147.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383105;MM383105;C=CC=C(CN)CC=CC;HVSQAIBPUQEDKI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383106;MM383106;CCC(=COC)N(C)C=O;YWNSDKHFQJVDIN-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383107;MM383107;C=CC=C(CC)CC=NO;JDQCYKBYTQCCTB-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383108;MM383108;COC=C(CN)N(C)C=N;JKRQCOCESGDCSH-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383109;MM383109;CCC(=CC#N)CC=NO;GIKMOAAVJFBGPC-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383110;MM383110;CCC(=COC)N(N)C=O;HIPNECYJXGJFCE-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383111;MM383111;CNN=CNN=CC=CF;OBDHYVJKHVGRBT-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383112;MM383112;CCC1CC2CC2(CO)C1;YANRVJFUTMETGE-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383113;MM383113;C=CC=C(CC=NN)OC;DOBBGGCPKHWQSM-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383114;MM383114;CCC=C(OC)N(C)C=N;NCCYOAAKYGCQII-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383115;MM383115;C=CC=C(CC=NO)OC;JKTYPYSTQVVKTC-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383116;MM383116;CCC=C(OC)N(C)C=O;QMUAXLFZHCBBJN-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383117;MM383117;COC(=CC#N)CC=NO;FQMYIQHWRPLSQI-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383118;MM383118;COC(=CCO)N(N)C=N;QFCSVVGCRLNLDL-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383119;MM383119;C=NN=C(CC)CC=NO;SHPSWSWFTVFBGC-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383120;MM383120;CCC=C(OC)N(N)C=O;PYSCQCBUNRTTNS-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383121;MM383121;C=CC=C(CC)N=CNN;LGTGDUILHWQNKZ-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383122;MM383122;OCC12CC(CF)CC1C2;CNSYCVCVAMQAMM-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383123;MM383123;C=CC=C(CN)NC=NC;YHKJXBVPSWMNKO-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383124;MM383124;COC=C(OC)N(N)C=O;CVJRDYRKUISYJN-UHFFFAOYSA-N;146.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383125;MM383125;CN=CNC(=CC=O)CF;XLOUNPIMTGECDY-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383126;MM383126;CCN=C(CO)N(C)C=N;VJMXSMJKPNTQMS-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383127;MM383127;CN=CNC(=CC=O)NC;YGUGAIKFZABAST-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383128;MM383128;CCN=C(CF)N(C)C=N;NPUDOBUIHKUHTI-UHFFFAOYSA-N;145.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383129;MM383129;CN=CNC(=CC#N)NC;UQTBMUGVFQHYBO-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383130;MM383130;CC1C(=NN)C=CC1CF;YOOHGSXIXDBNLE-UHFFFAOYSA-N;142.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383131;MM383131;CNC=NC(=CC=O)OC;XSEOBWMROSZAJE-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383132;MM383132;CCC1=CCC(CO)C1C;YDRSHTLBRIHHAG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383133;MM383133;CC1(O)CCC1;DQWVUKFABWSFJD-UHFFFAOYSA-N;86.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383134;MM383134;CNN=C(CF)N(C)C=O;LNPDREMUQQRCCS-UHFFFAOYSA-N;147.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383135;MM383135;Cc1cc[nH]c1N;SAEKUHJMFYUKEK-UHFFFAOYSA-N;96.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383136;MM383136;CC1C(CF)=CCC1CO;KHTQINCODODWFS-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383137;MM383137;CC1=C(C)CC(O)C1;GISDKVSRAJIWLX-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383138;MM383138;CCc1[nH]nc(OC)c1N;UXLHPUOTERHDRS-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383139;MM383139;N=CNC(CN)=NC=CF;HUTOVDIFEGZZAR-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383140;MM383140;CCC(CC)N1CC1C=O;GXTIBUDYRFWMLH-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383141;MM383141;CCC(=NC=NN)NC=N;JOXRZSNQTVNLOZ-UHFFFAOYSA-N;141.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383142;MM383142;C#CCC(C)N1CC1C=O;LEAGRBOTABTBMO-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383143;MM383143;N=CNC(CN)=NC=NO;HLHXFGFBSUWZRU-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383144;MM383144;CON=C(CO)N(C)C=O;KIOLYUNBDJYOQJ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383145;MM383145;N=CNC(CO)=NC=NO;FNZCJHXXTHMQKA-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383146;MM383146;CON=C(CF)N(C)C=O;ASFFWVXZZCYDIB-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383147;MM383147;NN=CN=C(CO)NC=O;QPJQNBQPELRJDI-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383148;MM383148;C=CN(N)C(CC)=NOC;QVJSUDMBBAHTPJ-UHFFFAOYSA-N;143.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383149;MM383149;O=CNC(CO)=NC=NO;YAPXYPWMCGENSB-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383150;MM383150;CCC(=NOC)N(N)C=O;FETUHDYDLPZRCD-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383151;MM383151;CNc1cc(C)c[nH]1;BOFPISRIVQHJCG-UHFFFAOYSA-N;110.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383152;MM383152;CCC=CCN1CC1C=O;ZROCFPWDCLCBAD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383153;MM383153;CNN=CNOC=O;BDJWSYJPFPECFX-UHFFFAOYSA-N;117.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383154;MM383154;N#CC=CCN1CC1C=O;IPMUMQCYGMTGBS-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383155;MM383155;N#CC1CNC1C=O;UCDDYZWEOLVABT-UHFFFAOYSA-N;110.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383156;MM383156;C=CN(N)C(CF)=NOC;YZLGHHAETBYRTB-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383157;MM383157;C=CC(C)=CC(C)(C)O;DKBDDJROKPVSGU-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383158;MM383158;CON=C(CF)N(N)C=O;YPEGXOUYTXPBBN-UHFFFAOYSA-N;149.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383159;MM383159;CNC(=NC=N)NC=CF;VFULSHFQDVRLOV-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383160;MM383160;CC=CC=CC(O)C1CC1;KGORPBUDKXSYBN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383161;MM383161;N=CN=C(NN)NC=CF;UBTHNAMMYJDAEW-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383162;MM383162;CCC1CCC2(CO)CC12;WZXABIIHPANZKF-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383163;MM383163;C#CC(C)(C)CC(C)O;VFOMKIUOYRBBCP-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383164;MM383164;CCC1CC1C1(CO)CC1;OIQWYAAROHJUDG-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383165;MM383165;CNC(=NC=N)NC=NO;JGQWZOWMRFOQPO-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383166;MM383166;OC1CCCC1;XCIXKGXIYUWCLL-UHFFFAOYSA-N;86.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383167;MM383167;CN=CNC(=NC=O)NC;WSLPRZCQWMPFSU-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383168;MM383168;CCN=C(NC)N(C)C=N;CPGQXKNHHIGTCS-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383169;MM383169;N=CN=C(NN)NC=NN;NMWFXXKRPJUWPZ-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383170;MM383170;CCN=C(NO)N(C)C=N;LRECAHLWHYNXPI-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383171;MM383171;CC(C)(O)CC=CC#N;KQFJLUNXFPNIOI-UHFFFAOYSA-N;125.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383172;MM383172;CCN=C(NC)N(N)C=O;QNOOBPANTFGGBO-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383173;MM383173;CC(C)=CC(C)C(C)O;OTNWQZPIOJZPKX-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383174;MM383174;CCN=C(NN)N(N)C=N;HLYBYAXUWAZLOA-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383175;MM383175;C=C(C)C1CC(C)(O)C1;MESMCXUZYHJHLS-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383176;MM383176;CCN=C(NC)N(O)C=N;GFQROCHALHXZPQ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383177;MM383177;C#CC=CC(C)(O)CC;RUCITDDFRTXGJT-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383178;MM383178;CCN=C(NN)N(O)C=N;MLWWKPWQDUDWSV-UHFFFAOYSA-N;145.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383179;MM383179;CCC(O)CC=C(C)C;VTLOXRYXWASINF-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383180;MM383180;C=CN(C)C(=NNC)NC;SFJTWIYCCOMGPC-UHFFFAOYSA-N;142.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383181;MM383181;CNN=CNOC(C)=O;ZVOKHMQKNHKACN-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383182;MM383182;CNN=C(NC)N(C)C=N;VGBQLNCEWWBVNE-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383183;MM383183;CC#CCC(O)C(C)C;OXYIEZFGPPUNAU-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383184;MM383184;C=CN(C)C(=NNC)NN;MLWNVBWRBAYPAR-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383185;MM383185;C=NN=CC(C)C(C)=O;KBBXQBRWCRNWLS-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383186;MM383186;C=CN(C)C(=NNC)NO;KYNAPCCVPIJFQT-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383187;MM383187;CC=NN=C(CF)NC=O;MUADADJCBQIODQ-UHFFFAOYSA-N;145.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383188;MM383188;C=CN(N)C(=NNC)NC;MWXNFHJZPPRHEN-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383189;MM383189;CC1NC(C#N)CC1=O;BEQZIOYICNCDEK-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383190;MM383190;C=CN(N)C(=NNC)NN;WPRXTYYPZNYTKX-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383191;MM383191;CC=COC(=CC=O)CO;FXVPXYPIHGEZTH-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383192;MM383192;C=CN(N)C(=NNC)NO;CAVIIGVPNOIAKS-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383193;MM383193;CC=COC(=CC#N)CO;LHUWQIFWHAKWJR-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383194;MM383194;C=CN(O)C(=NNC)NC;GRLDCGFGDQYDRH-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383195;MM383195;N#CC=C(CO)OC=CF;PAZBYZMMPVPSDC-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383196;MM383196;C=CN(O)C(=NNC)NN;WJQPVEFALQIERN-UHFFFAOYSA-N;145.17;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383197;MM383197;CCC(=CC#N)OC=NO;DOOGBVXICBBAMB-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383198;MM383198;CNC(=NOC)N(C)C=N;FDYLAXADCBLLQI-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383199;MM383199;C=NN=C1N=CC(=C)N1;MFTORUXVJLOQKS-UHFFFAOYSA-N;122.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383200;MM383200;C#CC(C)C1(O)CC1;VTVYZRNUQFVDAQ-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383201;MM383201;C=CC=C(CO)OC=NO;AOJKPNOEHDPALN-UHFFFAOYSA-N;143.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383202;MM383202;C=CC(C=O)ON=C;AQKYWEMIQSTDFU-UHFFFAOYSA-N;113.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383203;MM383203;C=CC=C(CF)OC=NO;FEGMDRZYGJNPSJ-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383204;MM383204;CNN=C(CF)NC;IKVXXXMLUYLPOP-UHFFFAOYSA-N;119.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383205;MM383205;CC=COC(=CC#N)NC;OHGCKSYWXJERDL-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383206;MM383206;CC=C1CCC(O)C1;ABEMHZPQXQIQOQ-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383207;MM383207;CNC(=CC=O)OC=CF;DTBPLVVIBLYVDW-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383208;MM383208;CC(F)C1NC1C=O;KFIHMEHJDMTPRA-UHFFFAOYSA-N;117.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383209;MM383209;CNC(=CC#N)OC=CF;VYAUPRSOSFKSOD-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383210;MM383210;CCN=C(OC)N(N)C=O;JZSIWZKIAHRWAH-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383211;MM383211;C=NN=C(CO)OC=CC;JNLYVAIMVKZDDH-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383212;MM383212;CC(C)N1CC1C=O;RHDNNKQDLVQQLJ-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383213;MM383213;C=NN=C(CO)OC=CF;KRNKWROJPKLUFI-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383214;MM383214;CON=C(OC)N(C)C=N;PTOSEKBLWXYQCD-UHFFFAOYSA-N;145.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383215;MM383215;C=C1CC(O)CC1=CC;HXTICYUZCJKIME-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383216;MM383216;CON=C(OC)N(N)C=N;YXIJEDDSMLOUPH-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383217;MM383217;C=NN=C(CF)OC=NO;IRJUJXJOSYMIFU-UHFFFAOYSA-N;147.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383218;MM383218;CON=C(OC)N(N)C=O;YICABISVJVCZLB-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383219;MM383219;CC1(CO)CC2CC2C1;HLWSXPYOJYJETE-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383220;MM383220;O=CC1CN1CCF;SRVDEQOOMBXOIO-UHFFFAOYSA-N;117.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383221;MM383221;CC1C(O)C1C1(C)CC1;CFAJWWZFOODQAL-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383222;MM383222;C=NN(C)C(=NCC)OC;FAHXPDCZOGOKCO-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383223;MM383223;CNC(=NC=O)OC=NO;BOPBOOXPOXXTHW-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383224;MM383224;CCC(=CC#N)C(C)C#N;QQGFSYHGFPQFCR-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383225;MM383225;C=Cc1cc(NN)c[nH]1;WDTIWJLBUNKZRT-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383226;MM383226;C=CC(O)C(=CC=O)CO;NRIQADNEPFSFMR-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383227;MM383227;N=CN=C(NN)OC=NO;WYIQKAJCCZWUSC-UHFFFAOYSA-N;145.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383228;MM383228;C=CC=C(CO)C(O)C=O;XEGNSTJGFZQHBH-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383229;MM383229;C#CC=CC(=O)C1CN1;WDNJESFZAXJQBR-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383230;MM383230;N#CC(O)C(=CC=O)CF;DIGYMBQJHVZFGA-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383231;MM383231;NNC(=NC=O)OC=NO;SWRVXXUPNJQHKJ-UHFFFAOYSA-N;146.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383232;MM383232;N#CC=C(CF)C(O)C#N;CVICNVSFGPNKRD-UHFFFAOYSA-N;140.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383233;MM383233;CCC1C(O)C1C1CC1;OCYNFESOUBGHQS-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383234;MM383234;CCC(=CC=O)C(F)C#N;GLHLTWAOBTYBQQ-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383235;MM383235;N=CN=C(NO)OC=NO;IYGBZOZNGYYSDJ-UHFFFAOYSA-N;146.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383236;MM383236;C=CC(O)C(=CC=O)NC;ZMTSBVLMYLMHKW-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383237;MM383237;O=CN=C(NO)OC=NO;XRWGJDNOEHPVGU-UHFFFAOYSA-N;147.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383238;MM383238;CNC(=CC#N)C(O)C=O;GVWDQCRYSOVKSP-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383239;MM383239;CC=CC(C)=CC(C)(C)O;OQIDNLHAOQYTBN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383240;MM383240;CNC(=CC=O)C(O)C#N;BFHHKYFQAVFBIU-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383241;MM383241;CC(C=CF)=CC(C)(C)O;LSDJHBQINFSBRA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383242;MM383242;C=CC(F)C(=CC#N)NC;MOQSABQFOMTQQK-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383243;MM383243;C#CC=C(CC)CC=CC;RUJXILYRQBHHJU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383244;MM383244;COC(=CC#N)C(C)C=O;SQOKZCALGTXTPS-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383245;MM383245;C#CC=C(CC)CC=CF;ANMWMEXNVZHERK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383246;MM383246;COC(=CC=O)C(C)C#N;XZIMXQBKKAJUAH-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383247;MM383247;C#CC=C(CN)CC=CC;VEBAOEASRQNHFQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383248;MM383248;C=CC(O)C(=CC#N)OC;XQQDZURHSPVWAL-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383249;MM383249;C#CC=C(CC)CC=NN;ZKNSDTQPLATLBO-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383250;MM383250;C=CC=C(OC)C(O)C=O;BRBPRKPYGHLMOD-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383251;MM383251;C#CC=C(CC)CC=NO;VHISZCJYUVYURB-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383252;MM383252;COC(=CC=O)C(O)C=O;SNNNFXOHOJXZHX-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383253;MM383253;C#CC=C(CF)CC=NO;RQEULLLYHLNNRQ-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383254;MM383254;COC(=CC#N)C(O)C#N;YFUXVBZVVLFALF-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383255;MM383255;C#CC=C(CC=CC)OC;CGVZYKQIMCMLNY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383256;MM383256;C=CC(F)C(=CC=O)OC;NPGLAMVIMWOITH-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383257;MM383257;C#CC=C(CC=NN)OC;CIAOITANWBKOES-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383258;MM383258;COC(=CC#N)C(F)C#N;NBQQGWRCRQMVIU-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383259;MM383259;C#CC=C(CC=NO)OC;DWGYRIUWKFLAKK-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383260;MM383260;C=CC(C)C(CF)=NN=C;XQXAJZGOXOOGRU-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383261;MM383261;C#CC=C(CC)N=CNC;KUJZBILWMRKMDI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383262;MM383262;C=NN=C(CO)C(O)C=O;JAUPAXTUDBBGGB-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383263;MM383263;C#CC=C(CC)N=CNN;SACWSRQLAVUYAZ-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383264;MM383264;C=CC(F)C(CO)=NN=C;XGGYGOAKWFXOLU-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383265;MM383265;C#CC=C(CO)NC=NC;MYJXOTNCXCGULK-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383266;MM383266;C=NN=C(OC)C(C)C=O;ZIOUFFCQXOHUBW-UHFFFAOYSA-N;142.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383267;MM383267;C#CC=C(N=CNC)OC;KFCNPDUEYDYADM-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383268;MM383268;C=CC(O)C(=NN=C)OC;GUAXHDRJEQVYLW-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383269;MM383269;C#CC=C(CC)OC=CC;YSKYFNKRIXPVFL-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383270;MM383270;C=NN=C(OC)C(F)C#N;ZWSWPXPCEPFDTE-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383271;MM383271;C#CC=C(CN)OC=CC;MXBAKNPKMXJYIY-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383272;MM383272;C=CC=C(CN)N(C)C=N;KBKGBKVIIOMIOG-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383273;MM383273;C#CC=C(CN)OC=CF;RJULOHHWNSTNSF-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383274;MM383274;C=CC=C(CO)N(C)C=O;FURWWXIKKHCJDY-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383275;MM383275;C#CC=C(CO)OC=CC;ZEAWRUFCXCLJRR-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383276;MM383276;CN(C=N)C(=CC#N)CF;CGZRSPZLZSEHGC-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383277;MM383277;C=CC(O)CC(C)(C)C=C;ROLSICMVRONGKV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383278;MM383278;CNC(=CC#N)N(C)C=O;NCVULZSLPROXFV-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383279;MM383279;C#CC=C(CC)OC=NO;PQHQSGNAALYURC-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383280;MM383280;CNC(=CC=O)N(O)C=O;QGXLIUHBAFQGOY-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383281;MM383281;C=CC=C(OC)N(C)C=N;VNIYANIFDBZXSW-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383282;MM383282;C#CC=C(CF)OC=NO;KJPOUAZHHKTUCM-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383283;MM383283;C=CC(=CCC)CC=CF;HMZOVLSNEDTMEH-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383284;MM383284;COC(=CC=O)N(C)C=N;ZWQIJWXEGXOKMQ-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383285;MM383285;C=CC(=CCN)CC=CF;IOCPOSYEOKCZCU-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383286;MM383286;C=CC=C(OC)N(N)C=N;RVDVFXKQCFOTKE-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383287;MM383287;C=CC(=CCO)CC=CF;HECOPJUIJVTJNF-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383288;MM383288;C=CC=C(OC)N(N)C=O;UDWSZHZKSHIXFD-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383289;MM383289;CC=CCC(C#N)=CCC;RIDPTXPLKKJNFX-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383290;MM383290;CCC(=NC=N)N(C)C=O;KADJOYFAHANCCG-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383291;MM383291;CCC=C(C=O)CC=CF;JLCURECEAIMZOX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383292;MM383292;CCC(=NC=O)N(C)C=O;JRGOVAXDVWNUOR-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383293;MM383293;C=CC(=CCC)CC=NN;CFYXOELTKLVDQO-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383294;MM383294;C=CN(C)C(CF)=NC=N;CGZDZNHCVFVDNF-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383295;MM383295;C=CC(=CCC)CC=NO;QNAFMQWSLKJZDV-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383296;MM383296;CN(C=O)C(CF)=NC=N;BBPGBZQGFVFJJJ-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383297;MM383297;CCC=C(C=O)CC=NO;GGPUPFLDURUEON-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383298;MM383298;C=CN(N)C(CC)=NC=O;ISQFVZXIHFXFQU-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383299;MM383299;N#CC(=CCO)CC=NO;QCFOBYXUXPWVBQ-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383300;MM383300;CCC(=NC=O)N(N)C=O;ZXIDPVJFJRODRO-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383301;MM383301;C=C(C)CC1CC1(C)O;OYMJWFLNTPGRST-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383302;MM383302;CC=CCC(C=O)=CNC;YKWQJVDKDSXLHS-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383303;MM383303;C=C1C=CC(C)(O)C1=C;QUVPTJAXRQOFBW-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383304;MM383304;CNC=C(C=O)CC=CF;RLIHEPBYUXAGCJ-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383305;MM383305;C=CN(O)C(CC)=NC=O;PWCRAIBFBLNUHG-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383306;MM383306;C=CC(=COC)CC=NO;XEZHYFSRASOYLY-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383307;MM383307;C#CCCC1CC1(C)O;YZEOOTKRANCTRZ-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383308;MM383308;CC(C)(F)CNN=CC=O;ZDDBKKRHLANPJJ-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383309;MM383309;CC1=CC2C(O)C2(C)C1;QNVITUVDPHVLNW-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383310;MM383310;C=CC(=CCC)N=CNN;UWOWUIFSHZIOSI-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383311;MM383311;C#CC(=O)CNN=CC;JXYBZEFPZFMNBC-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383312;MM383312;CCC=C(C=O)N=CNC;CFBKBRFECDWGDJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383313;MM383313;C=NN=C(CF)N(C)C=O;NJXILMWLVCVSLQ-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383314;MM383314;CCC(C)=CC(C)C(C)O;DMZDCPRNEWAHTM-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383315;MM383315;C=CN(N)C(CF)=NN=C;SMGDDEDKGYQBPN-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383316;MM383316;CC(=CC(C)C(C)O)CF;IUFHOWRELKXIKA-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383317;MM383317;CCC=C1CCC(O)C1;KMOFPIWZGCYBSP-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383318;MM383318;C#CCC1C=CC(C)(O)C1;SLWQMPNREJKLKX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383319;MM383319;N=C1C=NC(=CC=O)N1;BQTBCBDXTMIADU-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383320;MM383320;CCC(C)NN=CC(C)=O;FXFAPMOCTGEDJM-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383321;MM383321;C=NN=C(CF)N(C)N=C;YXQWUYBLHYUEPI-UHFFFAOYSA-N;144.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383322;MM383322;C=CC(N=CNC)=NNC;SAZDYQPVIRXIHY-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383323;MM383323;CNC(=NC=O)N(C)C=N;UIAPPUUGQRWMFP-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383324;MM383324;C=CC(=NC=NO)NNC;JHZKOHIVOQWCQX-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383325;MM383325;C=CN(C)C(=NC=N)NN;URSXMYOSFGEDCX-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383326;MM383326;C=CC(C)CC(O)C=CC;DNIORZKWTYPSGV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383327;MM383327;C=CN(C)C(=NC=O)NN;FGHCERYWWKHKGE-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383328;MM383328;CON=C(C#N)NC=CF;MDYVXWFRXSRLHC-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383329;MM383329;CN(C=N)C(=NC=N)NN;MTQQJUWKFBQGCI-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383330;MM383330;C=CC(C)=CC(O)CCC;HLJMMMWDUMXYIN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383331;MM383331;C=CN(C)C(=NC=N)NO;TUPQMVKBHDVVLR-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383332;MM383332;C=C(CC)C1CC(C)(O)C1;FDLXHXNYSMSYRV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383333;MM383333;C=CN(N)C(=NC=O)NC;VWGCBXXOWCPSSC-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383334;MM383334;CCC=C(C#N)OC=CF;ZPCVXXCHCAOUGN-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383335;MM383335;C=CN(N)C(=NC=N)NN;POJDBLRCAAGGPI-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383336;MM383336;N#CC(=CCO)OC=CF;BPVNVFNODYLRLD-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383337;MM383337;N=CN=C(NN)N(N)C=N;XTCQVUNVMJNZIK-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383338;MM383338;CC=COC(C#N)=CNC;AWKNKVZJWBZATF-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383339;MM383339;C=CCc1c[nH]c(N)c1;QYLKIOYIQCBYRM-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383340;MM383340;CNC=C(C=O)OC=CF;AADDGPUOEZUKNO-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383341;MM383341;C=CN(N)C(=NC=N)NO;IGKGOJSDPXVNNL-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383342;MM383342;CNC=C(C=O)OC=NO;PVZKPPYUCOWMKH-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383343;MM383343;C=CN(O)C(=NC=O)NO;SJYFLPCHIDUDJM-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383344;MM383344;CC=COC(C=O)=COC;FRMJFCNSCGOEEX-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383345;MM383345;C=NN=C(NC)N(C)C=N;PSXXTERIXTXQQW-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383346;MM383346;CC=COC(C#N)=COC;LUKBMAQHTDNKPT-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383347;MM383347;C=CN(N)C(=NN=C)NC;GWVZTMJZNYREOA-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383348;MM383348;COC=C(C=O)OC=CF;LLXNFFCGBKXOOW-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383349;MM383349;C=NN(C)C(=NC=N)NC;BZBHOAMBVRRHFO-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383350;MM383350;COC=C(C#N)OC=CF;PYHGCDMHOPBBBI-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383351;MM383351;COC(=NC=N)N(C)C=O;OOXDDXLBBHIMRN-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383352;MM383352;C=C(CF)C1CC(C)(O)C1;CSYQITRVRGTYKC-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383353;MM383353;COC(=NC=O)N(N)C=N;CNAAQAQGFBRRBK-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383354;MM383354;C=CC(=COC)OC=NO;KITFQDOXVCDGDO-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383355;MM383355;C=CN(C)C(=NN=C)OC;NGFBSHBRWWMNPL-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383356;MM383356;COC=C(C=O)OC=NO;SHBRTAPTOUDNBC-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383357;MM383357;C=CN(N)C(=NN=C)OC;SDSIMCMFYXLIBT-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383358;MM383358;CC=C(C)C1CC(C)(O)C1;XYZCFXLWYIOVLJ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383359;MM383359;C=CN(O)C(=NN=C)OC;DKOMVBBBXOWUDH-UHFFFAOYSA-N;143.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383360;MM383360;C=C(C)C1=CC(C)(O)CC1;KCKHQIXUZRKMEM-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383361;MM383361;C#CC=C(CC)C(O)C#N;CKBWSUMAGMSIAL-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383362;MM383362;CC#CC=CC(C)C(C)O;UQIDULRAHIWWDU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383363;MM383363;C#CC=C(CO)C(O)C=C;VJINLMZBHOLMSV-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383364;MM383364;C#CC=C1CC2CC2(O)C1;SPIXOAKNTXROOD-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383365;MM383365;C#CC=C(CF)C(O)C#N;HTWOQKXNOKNFSU-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383366;MM383366;CNN=C(C#N)OC=CF;YSCKFSYDGWIHHA-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383367;MM383367;C#CC=C(OC)C(F)C=C;SXKIKQJUHQFRSP-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383368;MM383368;CC=COC(C=O)=NOC;GQEYWZOSBMTGAX-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383369;MM383369;C#CC=C(CN)N(C)C=N;WZHWWQPZPWCZLR-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383370;MM383370;CC=COC(C#N)=NOC;UGNVVSYRKGPOHO-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383371;MM383371;C#CC=C(CN)N(C)C=O;GHEXVRWJWYKSIY-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383372;MM383372;CON=C(C#N)OC=CF;UGKFNPAYVXXWST-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383373;MM383373;C#CC=C(CC)N(N)C=O;QHCYOYAXAOJJHZ-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383374;MM383374;CCC(CC)C1CC1(C)O;CDWFVWWEKFZLBN-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383375;MM383375;CNn1nnc(N)c1C;KEQDRMRZXKXIMH-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383376;MM383376;CON=C(C=O)OC=NO;IXFHQIJXCJOMTK-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383377;MM383377;C#CC=C(CF)N(N)C=N;FVVONNZBKFERHJ-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383378;MM383378;CCC(C)=CCC(O)CC;DTXKDTRQEJLNHP-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383379;MM383379;C#CC(O)C(=CCO)CC;JUDVYRREIBRFCP-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383380;MM383380;C=CC=C(C=C)CC=CC;SHPKFTUZUIZICZ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383381;MM383381;C#CC(O)C(=CCC)CN;VGUMYIKRFSORQE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383382;MM383382;C=CC=C(C=C)CC=CF;ATXDVVOCBWEGJW-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383383;MM383383;C#CC(O)C(=CCN)CO;YDNVLXRKOQSBHE-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383384;MM383384;C=CC=C(C=O)CC=CC;KWAMDHYNGRCDBO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383385;MM383385;C#CC(O)C(=CCF)CO;BDNAAGNVBWXUSY-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383386;MM383386;C=CC=C(C#N)CC=CF;NTTSIMUDVBVKLC-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383387;MM383387;C#CC(O)C(=CCN)CF;TYIOYQISAGPQSD-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383388;MM383388;CC=CCC(C#N)=CC#N;CWZVRARQIUMIKR-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383389;MM383389;C#CC(O)C(=CCO)CF;MDOAFXCHRQNJND-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383390;MM383390;C=CC=C(C=C)CC=NO;CMLLGMRNVMMBPJ-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383391;MM383391;C#CC(O)C(=CCF)CF;AJDAHEVVIWXNCQ-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383392;MM383392;C=CC(=CC#N)CC=NO;SYBHXOLPMXQGFY-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383393;MM383393;C#CC(F)C(=CCN)CN;XKZZGJSPQOTVRQ-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383394;MM383394;C=CC=C(C#N)CC=NO;RQLNKCSDPAMFRT-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383395;MM383395;C#CC(F)C(=CCO)CN;TZLBLZGGANTBEH-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383396;MM383396;C=NN=C(C#N)CC=NO;XNUOKVKJWIGUGH-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383397;MM383397;C#CC(F)C(=CCO)CO;CONPIQSLCXDIOX-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383398;MM383398;C=CC=C(C=C)NC=NC;CRIUNXCTMVGIQH-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383399;MM383399;C#CC(O)C(=CCO)OC;MFCHALOKTCCESL-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383400;MM383400;C=CC(=CC#N)NC=NC;OSVJXGOZRMJHGU-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383401;MM383401;C#CC(O)C(=CCF)OC;USOCDNSYMISFHU-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383402;MM383402;C=CC(=CC#N)NC=NO;GTRRIQXQZVLSIO-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383403;MM383403;C#CC(F)C(=CCN)OC;UVHYUOPUVZTARR-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383404;MM383404;C=CC=C(C=O)NC=NO;FHZKMAWVLUYHNB-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383405;MM383405;C#CC(F)C(=CCO)OC;QSVSAQPARSGWEO-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383406;MM383406;N#CC=C(C=O)NC=NO;MXYOYEXQXBSOLA-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383407;MM383407;C#CC(C)C(=COC)OC;LRKYGCHAHOVRGA-UHFFFAOYSA-N;140.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383408;MM383408;CCC(O)CC=C(C)CF;MMSFHWSMSAWTQS-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383409;MM383409;C#CC(F)C(=COC)OC;ADANBZCZKNJDGH-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383410;MM383410;C=CC(=NC=CC)NC=N;FCXBDNHVUUGSES-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383411;MM383411;C#CC(O)C(CO)=NNC;YBVIIQNMDRKQLX-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383412;MM383412;C=CC(=NC=CF)NC=N;ASOKHGQSLSDPNZ-UHFFFAOYSA-N;141.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383413;MM383413;C#CC(O)C(CF)=NNC;OOUFIXLXQHBMBV-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383414;MM383414;CC(=NN=CN)C(C)C=O;RPZNQGXJEHBMDZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383415;MM383415;Nc1c(F)cnn1C=O;ZVENGGIGCJSKCA-UHFFFAOYSA-N;129.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383416;MM383416;Cc1n[nH]c(=NN)oc1=O;IHUSODDQYJAHCB-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383417;MM383417;CC(C)(C)CC(C)(C)CO;UDLSLDPRJVPDNC-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383418;MM383418;N#CC(=NC=NO)NC=N;UAKDGDBNRWSOAK-UHFFFAOYSA-N;139.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383419;MM383419;C#CC(O)C(CO)=NOC;MULYNBPXPHGXQW-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383420;MM383420;N=C(C(=O)O)N(N)CCO;ZMBPSGGNHNLXRC-UHFFFAOYSA-N;147.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383421;MM383421;C#CC(O)C(CF)=NOC;KTZMCYCKVRJNAZ-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383422;MM383422;N#CC(=NC=NO)NC=O;SVHPDNZFASKCRD-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383423;MM383423;C#CC(F)C(CO)=NOC;AHMPRUIUESAWLA-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383424;MM383424;CNN=CNOC(=O)CN;VLAKEAZADCDQSE-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383425;MM383425;CC(C=O)CCC(C)(C)O;UQOLIJIPIQLNMI-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383426;MM383426;C=CC(=O)ONC=NNC;URHSPOOZYOLOJK-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383427;MM383427;C#CC(O)C(=NNC)OC;NUDVTJISDDCOON-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383428;MM383428;C#CC(=O)ONC=NNC;OGQULYMLDRZRCZ-UHFFFAOYSA-N;141.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383429;MM383429;C#CC(C)C(=NOC)OC;VIFPXXUHSBUAQN-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383430;MM383430;CC#CC=CCC(O)CC;HHHOJUYORIYJRC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383431;MM383431;C#CC(O)C(=NOC)OC;XTBHQIMIWYNCDV-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383432;MM383432;C=CC(=NN=CC)NC=O;XLKJABNVGUDTSS-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383433;MM383433;CC(C=O)=CC(C)(C)CO;AURKAVNAOJGEHT-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383434;MM383434;C#CC(=O)C=NNCCC;CIKAIRUCMVHCTM-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383435;MM383435;C#CC(C)C(=CC=O)CO;IDAKMZOQSFYBFQ-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383436;MM383436;CCC1(O)CC1CCC#N;DRUPLYGIUJHQIP-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383437;MM383437;C#CC(C)C(=CC=O)CF;GZABLEMGADYUAQ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383438;MM383438;C=CC=C(C=C)OC=CF;KXXUWSBHQGXMDE-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383439;MM383439;C#CC(O)C(=CC=O)CF;ISRWGFHVUCVZSB-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383440;MM383440;C=CC(=CC#N)OC=CC;VEOSBDITWCPCDL-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383441;MM383441;C#CC(C)C(=CC#N)OC;SUJRVFYILAWLMI-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383442;MM383442;C=CC(=CC#N)OC=CF;VHTJFDBCNYGQDS-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383443;MM383443;C#CC(O)C(=CC=C)OC;IIHSDSBIWGLHKS-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383444;MM383444;CC=COC(C=O)=CC=O;WNWOBWMZVXKZPR-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383445;MM383445;C#CC(O)C(=CC=O)OC;JCHFETXLTUROEC-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383446;MM383446;CC=COC(C=O)=CC#N;DSRQIXTYIIHPGY-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383447;MM383447;C#CC(F)C(=CC#N)OC;MIEKRHQVAGNBSH-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383448;MM383448;O=CC=C(C=O)OC=CF;QGINHKLJXSSDNH-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383449;MM383449;C#CC(O)C(CO)=NN=C;UBCMJRRIDBSBHM-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383450;MM383450;N#CC(=CC=O)OC=CF;HJLZAHKAUWWNIB-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383451;MM383451;C#CC(C)C(=NN=C)OC;KGCWYJXXJANYIP-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383452;MM383452;N#CC=C(C=O)OC=CF;JMWGEXUFLHXVQT-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383453;MM383453;C#CC(F)C(=NN=C)OC;VATWDGJHHZHBIM-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383454;MM383454;N#CC=C(C#N)OC=CF;ZQEUBIOSXPQXEC-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383455;MM383455;C#CC=C(CO)C(O)C#C;XBGBHTDVDRSUNC-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383456;MM383456;C=CC(=CC#N)OC=NO;XVBLPGWSBWBVNK-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383457;MM383457;C#CC=C(CN)C(F)C#C;GFBHHZMCMHNFTC-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383458;MM383458;N#CC(=CC=O)OC=NO;NESACFNPQNQDRH-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383459;MM383459;C#CC=C(CO)C(F)C#C;PJZAVNXTYCYZBF-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383460;MM383460;C=NN=C(C=O)OC=CC;KJCPVQCSPRDVMP-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383461;MM383461;C#CC=C(OC)C(F)C#C;ZEXGJHCEZPDRLX-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383462;MM383462;C=NN=C(C#N)OC=CC;TVNNMOURFHKYIM-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383463;MM383463;C=CC(=CCN)C(C)CN;LTYZANXFMDRGQI-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383464;MM383464;C=NN=C(C=O)OC=CF;FHFIQMGZBZUBFI-UHFFFAOYSA-N;144.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383465;MM383465;C=CC(=CCO)C(C)CO;LJKAOSBXDVPMBT-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383466;MM383466;C=NN=C(C#N)OC=CF;QZTBEKGHNOMKFA-UHFFFAOYSA-N;141.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383467;MM383467;C=CC(=CCO)C(C)CF;VVSQUZJRCXBHHW-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383468;MM383468;CNN=C(C=O)C(C)OC;VXFZSDUXQGXJGE-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383469;MM383469;CCC=C(C#N)C(C)CO;MQAZKCDZSVMRQS-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383470;MM383470;C=CC(=NN=C)OC=NO;NAAMZOJQBVBZOO-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383471;MM383471;CC(CO)C(C=O)=CCO;VJXWBIWJWRMNHN-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383472;MM383472;C#CC=C(C=C)CC=CC;HNKDKFTXOMMAGE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383473;MM383473;CCC=C(C#N)C(C)CF;SOGODVJYCRYGGL-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383474;MM383474;C#CC=C(C=C)CC=CF;FCICPLPZOQVHKN-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383475;MM383475;C=CC(=CCO)C(N)CN;JRECMZBPMUTYMA-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383476;MM383476;C#CC=C(C#N)CC=CC;HXCVSQZGRHSGOZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383477;MM383477;C=CC(=CCC)C(N)CO;NSTZKGTVPGXVEB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383478;MM383478;C#CC=C(C=C)CC=NN;MRDCSQFMVZWHNK-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383479;MM383479;C=CC(=CCO)C(N)CO;VZFTXNCCWLIEND-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383480;MM383480;C#CC=C(C=C)CC=NO;RPZVQQQGWHKEOT-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383481;MM383481;C=CC(=CCC)C(N)CF;RWTUPSNTKUHJGV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383482;MM383482;C#CC=C(C=O)CC=NO;DUADATLOTITWJW-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383483;MM383483;C=CC(=CCC)C(O)CN;JYIXJXCXAVZZIC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383484;MM383484;C#CC=C(C=C)NC=NC;DXINFAMMHXNKDL-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383485;MM383485;O=CC(=CCO)C(F)CF;YPCYJGYICZJNTH-UHFFFAOYSA-N;150.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383486;MM383486;C#CC=C(C=C)OC=CC;WPCBVAVZTFUYJM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383487;MM383487;CNC=C(C#N)C(O)CO;PCSCBIRRGJPKAQ-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383488;MM383488;C#CC=C(C=C)OC=CF;SVLKHMQCWGUGHN-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383489;MM383489;CNC=C(C#N)C(O)CF;XMOXZESDIMBBKP-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383490;MM383490;C#CC=C(C#N)OC=CC;HXTAEKYGXLVYFH-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383491;MM383491;CCC(F)C(C=O)=CNC;RTHZGSHOAINROU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383492;MM383492;C#CC=C(C=O)OC=CF;KQEJKUUDOMQWFU-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383493;MM383493;CNC=C(C#N)C(F)CO;HWGGYXLSOXORCS-UHFFFAOYSA-N;144.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383494;MM383494;C#CC=C(C#N)OC=CF;UUWGNUAAFMINPR-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383495;MM383495;COC=C(C=O)C(C)CO;BOYNRAHDINLWTP-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383496;MM383496;C#CC(=CCC)CC=CF;QETYMYYLKCZMLZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383497;MM383497;CCC(O)C(C#N)=COC;WWNINYQRPBUOQC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383498;MM383498;C#CC(=CCC)CC=NN;PPXMEGWBKIZCFT-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383499;MM383499;COC=C(C#N)C(O)CO;IGKMKFANOJQXKC-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383500;MM383500;C#CC(=COC)CC=NO;YSGACPSVWJUPOW-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383501;MM383501;COC=C(C=O)C(F)CO;NBZGUYKGBJCVTM-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383502;MM383502;C#CC(CC=CC)=NOC;SILILGRXOQSLFS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383503;MM383503;CCC=C(C=O)C(C)NC;ZNHKFPYACLAKNJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383504;MM383504;C=CCOC(=NN)NN=C;SGAZHISJXWCTIL-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383505;MM383505;CNC(C)C(C=O)=CCO;ZZLKNBYAZUDLGQ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383506;MM383506;C#CC(=CCC)N=CNC;RBCFKWPWCBZYDS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383507;MM383507;CNC(C)C(C=O)=COC;CTUAARAMWGRAFQ-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383508;MM383508;C#CC(=CCC)N=CNN;KASSHKVFUIQVDB-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383509;MM383509;COC=C(C#N)C(C)OC;RNRDCGSJOOKDPX-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383510;MM383510;C#CC(=CCN)N=CNO;XMYQCSVNAQVNJX-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383511;MM383511;CNN=C(C#N)C(O)CO;OISYSKLJEBCYQD-UHFFFAOYSA-N;143.15;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383512;MM383512;C#CC(=CCF)NC=NO;ZBKMBYZVVNAHPK-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383513;MM383513;CNN=C(C#N)C(F)CO;QRDLRLVEHHRTMD-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383514;MM383514;C#CC(=COC)N=CNC;VZJPMWJHZOMXJH-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383515;MM383515;CC(C)(CO)CC1(C)CC1;WJVBRKFTEKFYAH-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383516;MM383516;C#CC(N=CNC)=NCC;FFOBKHLXFXLPST-UHFFFAOYSA-N;137.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383517;MM383517;CON=C(C#N)C(C)CO;PBVJNFXNGVYIGN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383518;MM383518;C#CC(=NC=NO)NCC;PAURDQGQNBXHQW-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383519;MM383519;CON=C(C#N)C(O)CO;HCHCVQFPUGELDZ-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383520;MM383520;CNN=C(C#CC#N)C=O;MPZGBZLEOYIDHS-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383521;MM383521;CON=C(C#N)C(O)CF;TWRPJSMISCCYDZ-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383522;MM383522;C#CC(=NOC)NC=CC;DAVQGAYYSJDYLK-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383523;MM383523;CON=C(C#N)C(F)CO;QHJMINVFFSDORM-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383524;MM383524;CON=C(C#N)C(F)CF;DFBABDDXIGRHHS-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383525;MM383525;Cc1c(F)c(N)c(F)n1N;HILBXGPZCZLTFP-UHFFFAOYSA-N;147.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383526;MM383526;C=C(CCC#N)C(C)(C)O;OKHHTGNSSWUSOU-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383527;MM383527;C#CC(=CCN)OC=CC;NMZUZQZXOCIZME-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383528;MM383528;CON=C(C#N)C(C)OC;COAYOMLCTCHAIL-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383529;MM383529;NN=c1nc(N)cnn1N;AXYMFWCFAVPBAY-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383530;MM383530;CC(=CCC#N)C(C)(C)O;IARFQZWOGBCNQI-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383531;MM383531;C#CC(=CCC)OC=NO;USDNFHPFFHFBRD-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383532;MM383532;CCN(O)C(C=O)=NNC;GAGKKWQJOHNVPJ-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383533;MM383533;C#CC(=CCF)OC=NO;RHHQARMYCKNWNQ-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383534;MM383534;CCN(C)C(C=O)=NOC;LUKKPSDONBHRKW-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383535;MM383535;C#CC(=COC)OC=CC;NXZALMVWMZMNNX-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383536;MM383536;CCN(C)C(C#N)=NOC;XAVSLBBELSFVOP-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383537;MM383537;C#CC(=COC)OC=CF;HDIQHURNAUIDBE-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383538;MM383538;CCC(C)(O)C=CCC#N;HEZRLDSRDFASIE-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383539;MM383539;NN=C(CF)NN=CCF;CMUNGTCQHZIDJG-UHFFFAOYSA-N;150.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383540;MM383540;CNN(C)C(C=O)=NOC;NIVGUIWLWUEUCM-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383541;MM383541;C#CC(=NOC)OC=CC;OLEGOECZKWKASN-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383542;MM383542;CNN(C)C(C#N)=NOC;MXUXGPBRZHVPDF-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383543;MM383543;C#CC(=NOC)OC=CF;VTKPINPQXZZKJM-UHFFFAOYSA-N;143.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383544;MM383544;C=C(C#N)CC(C)C(C)O;PANVZTQKGZOSLC-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383545;MM383545;C#CC(=CC=C)CC=CC;VNNULHWXHBKPOE-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383546;MM383546;C=C(CC)CC1CC1(C)O;IKHOOJNYKVHATI-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383547;MM383547;C#CC(=CC=C)CC=CF;KSHMVFBIZBPFCS-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383548;MM383548;C=CC=C(C=O)C(C)CF;IHVZKKSUUBAFLF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383549;MM383549;C#CC(=CC#N)CC=CC;QEWYKBNMIWQZEX-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383550;MM383550;C=CC(=CC#N)C(O)CC;LQXRLZNYDINCLE-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383551;MM383551;C#CC(=CC#N)CC=CF;BLEMSMJFCBZKFM-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383552;MM383552;C=CC=C(C=C)C(O)CO;UEYYOKUQTWQWMY-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383553;MM383553;C#CC(=CC=C)CC=NN;XRVHPVQJGIUHFO-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383554;MM383554;C=CC(=CC#N)C(O)CO;JPOAZKUOMPZJPF-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383555;MM383555;C#CC(=CC=C)CC=NO;IFLQVXLHNSSUFO-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383556;MM383556;CCC(O)C(C=O)=CC=O;GETPIVRBEASUFW-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383557;MM383557;C#CC(CC=NO)=NN=C;PXRQACWFFCXKTF-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383558;MM383558;C=CC=C(C=O)C(O)CO;FANNMTQYVZUHPY-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383559;MM383559;C#CC(=CC=C)NC=NC;YNNPCMXYOLTOQA-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383560;MM383560;C=CC=C(C#N)C(O)CO;RHQAHMNASKUWRR-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383561;MM383561;C#CC(=CC=O)NC=NO;UOGVAKMMCDNJHM-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383562;MM383562;N#CC(=CC=O)C(O)CO;WBQUHLIFMZXWMO-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383563;MM383563;C=CCC(C)C1(CO)CC1;DGDKWFCBFALHJR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383564;MM383564;N#CC=C(C=O)C(O)CF;OKZXHEJFYAAUKW-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383565;MM383565;C#CC(=CC#N)NN=CC;DSUKEZDVZFPSPV-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383566;MM383566;C=CC(=CC=O)C(C)NC;KIKKIFSNEDXKES-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383567;MM383567;C#CC(=NC=NN)NC=O;DYYJNHIQOSJDEV-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383568;MM383568;C=CC(=CC#N)C(C)NC;JBJAJQTZJFUKMT-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383569;MM383569;C#CC(=NC=NO)NC=O;QSHAWGIGQBFXST-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383570;MM383570;C=CC=C(C=O)C(C)NC;IISUAUVPGWXQLM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383571;MM383571;CC(CC=O)CCN1CC1;WAPXRMOTPGMUNX-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383572;MM383572;C=CC(=NN=C)C(C)CN;IEYIUICKHZNKLU-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383573;MM383573;C#CC1CC(CC=C)C1O;WITSCPRQZLKXRW-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383574;MM383574;C=CC(=NN=C)C(C)CF;BPWBNGANUGUSHB-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383575;MM383575;C#CC(=CC=C)OC=CF;QYBJMPVWGILNCJ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383576;MM383576;C=NN=C(C#N)C(O)CC;NGZRIKVBBNXOCU-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383577;MM383577;C#CC(=CC=O)OC=CC;XFZQJHVVTPEBRU-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383578;MM383578;CCN(C)C(C=O)=CC=O;OSGRDFURUNFWIP-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383579;MM383579;C#CC(=CC#N)OC=CC;NAKNKSHCHRTXFA-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383580;MM383580;CCN(C)C(C#N)=CC=O;ALHWMSOIMPGRPV-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383581;MM383581;C#CC(=CC=O)OC=CF;VSGFTLWUBLPOMH-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383582;MM383582;CCN(C)C(C=O)=NC=O;GWBDYDCZQKBFFV-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383583;MM383583;C#CC(=CC#N)OC=CF;MYKNFQVIRIGDED-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383584;MM383584;C=NN=C(C#N)N(C)CC;IKPPALCJQUADFS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383585;MM383585;C#CC(=NN=C)OC=CC;LKGXTARGVYYALM-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383586;MM383586;C=NN=C(C=O)N(O)CC;JQWLVHSLFCAVNK-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383587;MM383587;C#CC(=NN=C)OC=CF;CDZOWPMBBHRSPO-UHFFFAOYSA-N;140.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383588;MM383588;CNN(C)C(C#N)=NC=N;DTCLFVASFIOJQI-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383589;MM383589;C#CC(=NN=C)ON=CC;VGBJQQCIQQJMJH-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383590;MM383590;CNN(C)C(C=O)=NC=O;TVCSYDBNGGVDPO-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383591;MM383591;C#CC=C(C#C)CC=CC;SVZXTKAQNSYLQL-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383592;MM383592;CNN(C)C(C#N)=NC=O;IHIJZVLGBWXZBQ-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383593;MM383593;C#CC=C(C#C)CC=CF;ATUFQCWQWQONAR-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383594;MM383594;C=NN=C(C=O)N(C)NC;QHQQYPIGEZTFOS-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383595;MM383595;C#CC=C(C#C)CC=NN;LXAZVRJICNOZII-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383596;MM383596;C=NN=C(C#N)N(C)NC;FQHWTPGKNBLJRB-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383597;MM383597;C#CC=C(C#C)CC=NO;DGVXQZQZOQPPBC-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383598;MM383598;C#CC=C(C=C)C(O)CO;OGTCOUWRGOGRPA-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383599;MM383599;C#CC=C(C#C)NC=NC;CWPBCMUZTHAISR-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383600;MM383600;C#CC=C(C=O)C(O)CO;VXDYUYLEEYOZJN-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383601;MM383601;C#CC=C(C#C)OC=CC;CGRFXJCAYCUQRL-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383602;MM383602;C#CC=C(C#N)C(O)CO;HSFKBNXEMQTXBP-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383603;MM383603;C#CC=C(C#C)OC=CF;KBHLJCFZAKHMRV-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383604;MM383604;C#CC=C(C=O)C(O)CF;PWTIRHDOSQWYGD-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383605;MM383605;CC#CCC(=CCN)CC;VXNZNGTZAOFQEB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383606;MM383606;C#CC=C(C#N)C(F)CO;WNTGXMZOHQKXEX-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383607;MM383607;CC#CCC(=CCC)CN;BYBRNMIFWDFCQS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383608;MM383608;C#CC=C(C=O)C(C)OC;QJYSSZVNSCOBJY-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383609;MM383609;CC#CCC(=CCC)CF;SCINNZCQPJTZSI-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383610;MM383610;CC(C#N)C(C=O)=CCO;ZJQLZMKRKSRQMU-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383611;MM383611;CC#CCC(=CCO)CF;PKDUIDBBNYFAHC-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383612;MM383612;CC(C=O)C(C#N)=CCO;DQEVIIWLJRZLIR-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383613;MM383613;CC#CCC(=COC)CN;ZDIGEUJSSPTCPV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383614;MM383614;C=CC(=CCO)C(O)C=O;SABFJHVULWGFPH-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383615;MM383615;CC#CCC(=COC)OC;ABXQJIANBHAGFR-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383616;MM383616;C=CC(O)C(C=O)=CCO;OSXHEXWUJRYVLT-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383617;MM383617;CC#CCC(CC)=NOC;PFJVQMATTVDFIC-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383618;MM383618;C=CC(O)C(C#N)=CCF;PYRYCLZTODFKTI-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383619;MM383619;CC#CCC(=NOC)OC;MJCHQYGZJZJHJQ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383620;MM383620;CCC=C(C=O)C(O)C#N;HBULMNIYIRZWCX-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383621;MM383621;C=CC=C(CC)CC#CC;SUZUBYITJJPUJC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383622;MM383622;N#CC(O)C(C=O)=CCO;FODZAVUKVYSDND-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383623;MM383623;CC#CCC(=CC#N)CC;CCQLNBUYFPHWAN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383624;MM383624;N#CC(=CCO)C(O)C#N;HSZCYGPUFPBRTM-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383625;MM383625;CC#CCC(=CC#N)CO;AOPXBXHYYCFAFU-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383626;MM383626;O=CC(=CCF)C(O)C=O;QGLDDYJMGHPZQQ-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383627;MM383627;CC#CCC(=CC#N)CF;RRLDGEAJIOVNPL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383628;MM383628;N#CC(O)C(C=O)=CCF;MYWXUZWMIGTYTC-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383629;MM383629;C=NN=C(CC#CC)OC;YAFGZVBVQYQQLR-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383630;MM383630;N#CC(=CCF)C(O)C=O;WJNAQHQWLHFSQE-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383631;MM383631;C#CC=C(CC)CC#CC;PXTZMYWLRXDGEB-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383632;MM383632;CCC=C(C=O)C(F)C#N;LVDNWQKKWQDXLV-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383633;MM383633;C#CC=C(CN)CC#CC;IJMXJEYSRXYFIS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383634;MM383634;C=CC(C)C(C=O)=CNC;OHTSTXJGSPRKIZ-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383635;MM383635;C#CC=C(CF)CC#CC;SQRQKTSVBLOWIX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383636;MM383636;C=CC(O)C(C#N)=CNC;RKXZYSLTAIWEET-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383637;MM383637;C#CC=C(CC#CC)OC;WUHGJFSESBOCTP-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383638;MM383638;CNC=C(C=O)C(O)C#N;UATFJRHSDUWMDC-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383639;MM383639;C=CC(=CCC)CC#CC;PVZZUPAOXKAYNB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383640;MM383640;C=C(CF)CC1CC1(C)O;UKPIYBMXINPEPK-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383641;MM383641;CC#CCC(C#N)=CCC;CBVIDKHAVMFJGV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383642;MM383642;CNC=C(C=O)C(F)C#N;ZACBBFXMLVHGQT-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383643;MM383643;C=CC1C=NN(C=O)C1=C;JBFGABKFNCKMHR-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383644;MM383644;COC=C(C=O)C(C)C#N;XHSGCRFHLGBTHF-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383645;MM383645;C=CC(CC#CC)=NOC;IZVXQRUOSMSROF-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383646;MM383646;C=CC(O)C(C#N)=COC;ZIHFJKFFKPTNSX-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383647;MM383647;COC=C(C#N)C(O)C=O;KOYSQSUZBGJSNF-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383648;MM383648;C#Cc1n[nH]c(CC)c1N;YAMDHPNJCMBSAL-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383649;MM383649;C=CC(F)C(C#N)=COC;TZRAFMFHIIQEEI-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383650;MM383650;C=CC=C(C=C)CC#CC;IFTHWGQJZDXMMP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383651;MM383651;COC=C(C#N)C(F)C#N;VFSMOWJDNBYOJZ-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383652;MM383652;C=CC(=CC=O)CC#CC;CMRZOXNGKWKWKN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383653;MM383653;CC=C(C)CC1CC1(C)O;JFMZDNYIIMUCKK-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383654;MM383654;C=CC(=CC#N)CC#CC;QZWCYLKRJJIRKS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383655;MM383655;CNN=C(C=O)C(O)C=O;HBTNDNFLDZBQRZ-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383656;MM383656;C=CC=C(C#N)CC#CC;DBFKHEXNHDRKFK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383657;MM383657;CNN=C(C#N)C(O)C=O;OHZNGHCJLDFFDX-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383658;MM383658;CC#CCC(C=O)=CC#N;IZGPHDPTCBRKTL-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383659;MM383659;CC(=CF)CC1CC1(C)O;DJROIHPOJJZXTR-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383660;MM383660;CC#CCC(C#N)=CC#N;KEBUKHZRDBMKBE-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383661;MM383661;CNN=C(C#N)C(F)C#N;XBDRWLKKRVZEKL-UHFFFAOYSA-N;140.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383662;MM383662;C#CC=C(C=C)CC#CC;UOPLJPCBBAACEP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383663;MM383663;C=CC(O)C(C=O)=NOC;KLWFHIOUFJEPBR-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383664;MM383664;C#CC=C(C=O)CC#CC;XBQXDWHMADIXPE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383665;MM383665;CON=C(C#N)C(O)C=O;DEEHJEWQCJZMTE-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383666;MM383666;C#CC=C(C#N)CC#CC;KGABTRGNGJFEQN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383667;MM383667;C=CC(F)C(C#N)=NOC;YDVABOYOZHGZOA-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383668;MM383668;C#CC(=CCC)CC#CC;XCLGGQHMXVWALF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383669;MM383669;C=CC(=CCO)N(C)C=O;TZAHWJIWKCEWFX-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383670;MM383670;C#CC(=CCN)CC#CC;FUGHCMAFTLWXTA-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383671;MM383671;CN(C=N)C(C#N)=CCO;QLNFZIGBJLYCBG-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383672;MM383672;C#CC(CC#CC)=NOC;ITEWUGBOYLVNST-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383673;MM383673;CN(C=O)C(C#N)=CCO;RZPPCYKKKHRNLH-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383674;MM383674;C#CC(=CC=C)CC#CC;OJRZKOWYJVSITO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383675;MM383675;CN(C=O)C(C=O)=CCF;QGDHWUSUHJUBKU-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383676;MM383676;C#CC(=CC#N)CC#CC;OZUMEQXYOJWYKT-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383677;MM383677;CCC(CC=O)CC(C)O;ALEXTUUPJUIYJE-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383678;MM383678;C#CC=C(C#C)CC#CC;HEPJUJAURPRDPI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383679;MM383679;CNC=C(C=O)N(C)C=O;DRTLDAWZWSUBBG-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383680;MM383680;CCC(C=CCN)=CCN;XCVNEVCCYKQDHN-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383681;MM383681;C=CC(=COC)N(C)C=N;BYVAKIAUIJRKHO-UHFFFAOYSA-N;140.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383682;MM383682;CCC(C=CCF)=CCN;WRBNTXWKOWZCDS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383683;MM383683;C=CC(=COC)N(C)C=O;CHLZPOBZDZSUDI-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383684;MM383684;CCC=CC(=CCC)CN;OHHFTGPXYMRLFP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383685;MM383685;C=CC(=COC)N(N)C=O;CGLBXXKCUYFJFC-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383686;MM383686;CCC=C(C=CCN)CN;ZZMZMZHHRQYQGN-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383687;MM383687;CCNN=CN(N)C=NN;CQVHMCJONKIZOY-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383688;MM383688;CCC=C(C=CCF)CN;BNXSFAUNYSLCKU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383689;MM383689;CCN=C(C=O)N(C)C=O;ZSMLTPGZJSFKSR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383690;MM383690;NCC(C=CCF)=CCO;PCFHLSCPQVQDAH-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383691;MM383691;C=CC(=NCC)N(N)C=O;NGMSPXTVKPDDII-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383692;MM383692;CCC=CC(=CCN)CO;HREGTIZIBCOKFN-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383693;MM383693;C=C(C)C(O)CCC#CC;BLLYVJPNXQTZKS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383694;MM383694;NCC=C(C=CCF)CO;MBDZZCRZWWNSKD-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383695;MM383695;C=CC(=NOC)N(N)C=O;LNNVOASQSYKJEE-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383696;MM383696;C=NN(C)C(C#N)=NCC;KEBCDMZHSMPYMD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383697;MM383697;OCC=CC(=CCO)CO;SRUYQRRMVVRFFA-UHFFFAOYSA-N;144.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383698;MM383698;C=CC(=CC#N)C(C)C=O;AOUAJPKKAPNSNJ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383699;MM383699;CCC(C=COC)=CCN;HPDHQSPSXVFQIN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383700;MM383700;C=CC(C)C(C=O)=CC=O;DQGHQKRKSLTNSC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383701;MM383701;CCC=C(C=COC)CN;ZKVNJFAEALWXMT-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383702;MM383702;C=CC(C)C(C#N)=CC=O;COHGRDLVDCFXIQ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383703;MM383703;COC=CC(=CCO)CO;JAFCELXLOOZUJY-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383704;MM383704;C=CC(C)C(C=O)=CC#N;KMPYGQMUBNHCQN-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383705;MM383705;COC=C(C=CCO)CO;FTNXDWORJIMLPK-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383706;MM383706;C=CC=C(C#N)C(C)C#N;YCNVECPHARTBHE-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383707;MM383707;COC=CC(=COC)CO;LAQCOHVOKTWHQC-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383708;MM383708;CC(C#N)C(C=O)=CC=O;UJFYEPLUQRBLMY-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383709;MM383709;COC(C=CCF)=CCN;GULXCLQOEKNRAH-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383710;MM383710;CC(C=O)C(C#N)=CC=O;PXRRSUJXCYJPGZ-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383711;MM383711;COC=CC(=CCO)OC;RRKOVUATFUDRAS-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383712;MM383712;CC(C=O)C(C=O)=CC#N;VWQQUAGKFIECHV-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383713;MM383713;CCC=CC(=COC)OC;LVNGAMBEUGZGAE-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383714;MM383714;C=CC(=CC=O)C(O)C=C;MOLCWHKMASSYFM-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383715;MM383715;COC=C(C=CCN)OC;NHGNNTLMBYMCJP-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383716;MM383716;C=CC=C(C=O)C(O)C=C;RXHOAYXXTMYZHL-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383717;MM383717;COC=C(C=CCO)OC;DKLJNHCYGSSHCB-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383718;MM383718;C=CC(O)C(C#N)=CC=O;ZSFSCNKCKLMQRU-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383719;MM383719;COC=CC(=COC)OC;BNKOFYFNIQYCRX-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383720;MM383720;C=CC(O)C(C=O)=CC#N;BXUNVDXJMYWISN-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383721;MM383721;Cc1cc(N)[nH]c1C;VWNCFESJAPNOLF-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383722;MM383722;C=CC=C(C=O)C(O)C=O;VYHDJDWDVZKRSZ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383723;MM383723;CCC=C(C=NNC)CN;ZZNLZRQKYPEMGL-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383724;MM383724;C=CC=C(C#N)C(O)C#N;SLCWSNJRXMZSGA-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383725;MM383725;CNN=CC(=CCN)CN;FKYXHULJSRVHIO-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383726;MM383726;N#CC(=CC=O)C(O)C#N;BZRSMHFNLHKZNW-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383727;MM383727;CNN=CC(=CCO)CN;XINZLOCMMJZQTD-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383728;MM383728;C=CC(F)C(C#N)=CC=O;FSMWMTNFBHECIZ-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383729;MM383729;Cc1cc(C)c(N)[nH]1;AXEAVUDIODHFKX-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383730;MM383730;C=CC(F)C(C=O)=CC#N;HRZNOLDYMHBISD-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383731;MM383731;CNN=C(NN)OC;MLYDXQXNCRUPFC-UHFFFAOYSA-N;118.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383732;MM383732;N#CC(F)C(C=O)=CC=O;YXXQNPZGYLGNNP-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383733;MM383733;CCC(C=NOC)=CCN;BPRSCWMTMNEAGD-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383734;MM383734;N#CC(=CC=O)C(F)C=O;LNQBELUIMIUFIO-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383735;MM383735;CCC=C(C=NOC)CN;AUTGXCSQOMAJOB-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383736;MM383736;C=NN=C(C=O)C(C)C=O;NKKZUWAZMJGHAG-UHFFFAOYSA-N;140.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383737;MM383737;C=CC1CCC(O)C1;GJEQTUAYRJOISS-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383738;MM383738;C=NN=C(C#N)C(C)C=O;JOABRQMPEDJOAP-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383739;MM383739;COC=C(C=NOC)CN;YIYKQQBGMAEDFQ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383740;MM383740;C=NN=C(C#N)C(O)C=O;WJZKIVHTFORYKN-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383741;MM383741;C=CC1CC1C(C)O;FLSWBEKVZBUDEI-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383742;MM383742;C=CC(F)C(C#N)=NN=C;JBWLTQOWDPBBKK-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383743;MM383743;CNN=CC(=CCF)OC;UXSGIMSSRXSOEX-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383744;MM383744;C=NN=C(C=O)C(F)C#N;RWHRXWSQDSEECL-UHFFFAOYSA-N;141.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383745;MM383745;COC=C(C=NOC)OC;BWCOFABXOHGSJM-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383746;MM383746;C=NN=C(C#N)C(F)C#N;HTYKOIKKIPQUGG-UHFFFAOYSA-N;138.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383747;MM383747;C#CCC1CC(C)(O)C1;WHCJQAJJWOOOSS-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383748;MM383748;C=CC(=CC=O)N(C)C=O;YPXAAGHDCWGLLA-UHFFFAOYSA-N;139.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383749;MM383749;CC1=CC(C)(C)CC1O;UJNJQELPRZHXCQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383750;MM383750;C=CC(=CC#N)N(C)C=O;AWSJYLIFAOKZPU-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383751;MM383751;C#CCC(C)(C=C)CO;PZLPACRBCNKFCQ-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383752;MM383752;CN(C=O)C(C#N)=CC#N;KBJORVZWMIMLRC-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383753;MM383753;CON=C(C=CCN)CF;CNAYRQMADAPGSB-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383754;MM383754;CNN=c1oc(=O)on1N;UXYIVFJHDBHCGB-UHFFFAOYSA-N;146.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383755;MM383755;CN=CC=C(CO)NOC;YARBFXJSZKOGPN-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383756;MM383756;C=CC(=NC=N)N(C)C=O;LHHUQHHRYVUECA-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383757;MM383757;CCC(C=COC)=NOC;UPFDWXGWQCEZSJ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383758;MM383758;C=CC(=NC=O)N(C)C=O;BIBYLAUYEGNSNQ-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383759;MM383759;COC=CC(CN)=NOC;VVQRKJWYANQREX-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383760;MM383760;C=CN(C)C(C=O)=NC=N;GQBOAKZTSARUHM-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383761;MM383761;COC=CC(CF)=NOC;CCBPXYTXLOJAJY-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383762;MM383762;C=CN(C)C(C#N)=NC=N;LSXACKVFDMRSBM-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383763;MM383763;CNN=C(C=CCN)OC;UIHQUQQOKYAYAC-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383764;MM383764;CN(C=O)C(C=O)=NC=N;KZRAJFXSDBWHBH-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383765;MM383765;CCC=CC(=NOC)OC;QVIRQZOYXAIKQF-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383766;MM383766;C=CC(=NC=N)N(N)C=O;LQRRNVDCTFGNBL-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383767;MM383767;CC1C(O)C=CC1(C)C;UUPSYNAZLFMDFC-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383768;MM383768;C=CC(=NC=O)N(N)C=O;ZPINDJHRHFIBQV-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383769;MM383769;CON=C(C=CCF)OC;QUWQGGJAHHFMQM-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383770;MM383770;C=CC(=NN=C)N(C)C=O;DXRQKWKFFNPISM-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383771;MM383771;COC=CC(=NOC)OC;FNMUWHKWTSPQPL-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383772;MM383772;C=CN(C)C(C=O)=NN=C;XAZOHLTYXRYHJB-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383773;MM383773;C#CC=CC(C)C(C)O;VFYYBLUVIOJPNR-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383774;MM383774;C=CN(C)C(C#N)=NN=C;QVCNUSDNFHJRMC-UHFFFAOYSA-N;136.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383775;MM383775;C#CC=CCC(O)CC;PAWNKZWLLCHZHI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383776;MM383776;C=CC(=NN=C)N(N)C=O;NMALSRJGTCTERH-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383777;MM383777;CCC(C=NOC)=NOC;VRLKIXXHFVCXJT-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383778;MM383778;C=CC(=NC=N)N(C)N=C;AUAAJBFWLXHTHC-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383779;MM383779;CCC=C(C=CC=O)CC;VJGXBPBMGJHSAE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383780;MM383780;C#CC=C(C=O)C(O)C#N;FSGPDTMDTIRTDX-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383781;MM383781;CCC=C(C=CC#N)CC;RYGQFHOHJJKMAI-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383782;MM383782;C#CC=C(C#N)C(O)C=O;OAHOGMKYLMKNOJ-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383783;MM383783;C=CC=CC(=CCC)CN;GIWQKIVHJCJZQO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383784;MM383784;C#CC=C(C#N)C(F)C#N;IIBYXEHQIKZWKU-UHFFFAOYSA-N;134.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383785;MM383785;O=CC=CC(=CCO)CO;OZSLIRPGHYZCOE-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383786;MM383786;C#CC=C(C=C)N(N)C=N;ZXUVLIHGZZCNLR-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383787;MM383787;C=CC=CC(=CCF)CO;OIGUBIZPWBCCPV-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383788;MM383788;C#CC=C(C=C)N(N)C=O;WAUAFNXARZKUIC-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383789;MM383789;O=CC=CC(=CCF)CO;CAJZBIZOXCLIFZ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383790;MM383790;C#CC=C(C=C)N(O)C=O;VONATVZSPSJWJQ-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383791;MM383791;C=CC=CC(=CCO)CF;KAKCFLGIRBHUMF-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383792;MM383792;C#CC(O)C(C=C)=CCN;DLZJNIUXMRCMCM-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383793;MM383793;O=CC=CC(=CCO)CF;BDWXHPOVQXVKSP-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383794;MM383794;C#CC(O)C(C=C)=CCO;ZVUMBHBZOHHOPV-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383795;MM383795;C=CC=CC(=COC)CN;BNOQFPOHHOJQQF-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383796;MM383796;C#CC(C)C(C=O)=CNC;UIOQAQRCBPTZAH-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383797;MM383797;C=CC=CC(=COC)OC;WZXXTKZCJGWXHZ-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383798;MM383798;C#CC(O)C(C#N)=CNC;UNANUJXLXQTACB-UHFFFAOYSA-N;136.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383799;MM383799;COC=C(C=CC=O)OC;CHERYEAOCMCPMT-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383800;MM383800;C#CC(O)C(C=C)=COC;HQDDEIVFSZRZIG-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383801;MM383801;COC=C(C=CC#N)OC;CZOIVGAMGYKDFM-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383802;MM383802;C#CC(O)C(C=O)=COC;AEBQWOQANMXECZ-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383803;MM383803;C=NN=CC(=CCN)CC;ZSNBETKMHPOPRD-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383804;MM383804;C#CC(F)C(C#N)=COC;JTSPVEXZUHZISU-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383805;MM383805;C=NN=CC(=CCC)CN;AZENWVZIQVNERH-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383806;MM383806;C=C(C#N)CCC(O)CC;CIOSCIXHYVBVQS-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383807;MM383807;C=NN=CC(=CCO)CO;WGVBHZKQDNKNNU-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383808;MM383808;C=NNCC(=O)C#CCC;APVURQMWGXROJO-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383809;MM383809;C=NN=CC(=CCF)CO;MJCNTRYJCMTWKV-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383810;MM383810;C#CC(F)C(C#N)=NOC;ZYOVTFYOMHJFKW-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383811;MM383811;C=NN=CC(=CCO)CF;FUVUXHSGENNXIW-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383812;MM383812;C#CC(F)C(C=O)=NN=C;IUFWPTQZPVKWBD-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383813;MM383813;C=NN=CC(=COC)CN;QSKVXMOVMUUFOO-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383814;MM383814;C#CC(F)C(C#N)=NN=C;UJXZEJQGZJWQKM-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383815;MM383815;C=NN=CC(=COC)OC;BWSPVQMUIVPYFA-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383816;MM383816;C#CC=C(C#N)C(F)C#C;XRYTWIUUUSHVAU-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383817;MM383817;CCOC(=NNC)NN;QUPVXXHQXWRVQQ-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383818;MM383818;C#CC(=CCN)C(C)CN;JQEDGMSQJRCWSE-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383819;MM383819;CNN=C(C=CC=O)CF;ASFCLTFSXDYZJC-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383820;MM383820;C#CC(=CCO)C(C)CO;XXMGMIRDFRNPFF-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383821;MM383821;C=CC=CC(CN)=NOC;HDETWIQSSRFVGM-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383822;MM383822;C#CC(=CCF)C(N)CC;RMPSRJWKELXYJA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383823;MM383823;Cc1[nH]c(N)c(F)c1N;ULCNIFQJSZTEQA-UHFFFAOYSA-N;129.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383824;MM383824;C#CC(=CCF)C(N)CN;NWHKPBVEODQZFB-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383825;MM383825;C=CC=CC(=NOC)OC;AWEFBSVLPNTHAQ-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383826;MM383826;C#CC(=CCC)C(N)CO;DVSLANRPKLATDS-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383827;MM383827;CC1=C(C)C(O)CC1C;FQIHANRFBAXWKX-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383828;MM383828;C#CC(=CCF)C(N)CO;ISKFGAOHZPEGOW-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383829;MM383829;C=NN=CC(CC)=NOC;NMMJLDBSOBLLCZ-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383830;MM383830;C#CC(=CCF)C(O)CN;UMEITZXSYSANCS-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383831;MM383831;C=C1NC(=NN)OC1=O;KGGJBKJRAYAOGK-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383832;MM383832;C#CC(=CCF)C(O)CO;BFTOLPVEVHJJJA-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383833;MM383833;C=NN=CC(=NOC)OC;AIJRCLDJZQHXRV-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383834;MM383834;C#CC(=CCF)C(O)CF;LPMJXXCDUSEWAG-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383835;MM383835;C#CC=CC(=CCF)CO;MEFOWLJQTDAQRU-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383836;MM383836;C#CC(=CCF)C(F)CO;SVHSOJJCAADBAT-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383837;MM383837;C#CC=CC(=COC)CO;MAFWAGUHFAVYIW-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383838;MM383838;C#CC(=COC)C(N)CN;GSWUIGVVAOVARC-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383839;MM383839;C#CC=CC(=CCO)OC;YQOFWGXWNOFTHL-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383840;MM383840;C#CC(=COC)C(N)CO;BMVPZSFDFZTTDZ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383841;MM383841;C#CC=CC(=COC)OC;JQBGTIZRUOHZEB-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383842;MM383842;C#CC(=COC)C(O)CN;BDYXYZKEPSHSMI-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383843;MM383843;C#CC1=CC(C)C(O)C1;OEQATXHKIXNFIB-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383844;MM383844;C#CC(=COC)C(O)CO;OFEURTTUSXNYBI-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383845;MM383845;CC=CC1CCC(O)C1;VVNHZGXPMITMGD-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383846;MM383846;C#CC(=COC)C(F)CN;QGZOCBHDIJAQTA-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383847;MM383847;C#CC=CC(=NOC)OC;LTZZGIKKPJPRAH-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383848;MM383848;C#CC(=NNC)C(N)CN;SXOAYNFWGBLCGQ-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383849;MM383849;C=CC=C(C=CCC)CC;AZNCRYDTYJELOI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383850;MM383850;C#CC(=NNC)C(O)CN;QCTPPVOYKOQLMX-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383851;MM383851;C#CC(=NNC)C(O)CF;ZJBGKNPVNKEJRX-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383852;MM383852;CCC(C=CCF)=CC#N;WYHTXANYHZFMFY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383853;MM383853;C#CC(=NNC)C(F)CN;WXACKTFJEZFMHC-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383854;MM383854;C=CC=C(C=CCO)CN;UYJMFVBPRJCMGZ-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383855;MM383855;C#CC(=NOC)C(O)CO;NKRAGVCALVJEBS-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383856;MM383856;C=CC=C(C=CCF)CN;SLKFPUMWJCOTTN-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383857;MM383857;C#CC(=NOC)N(C)CC;HSPSCOSJFCECLL-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383858;MM383858;C#CC1=CCC(O)C1C;FEOMARUUFWZSLG-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383859;MM383859;C#CC(=CC=C)C(O)CO;MOAZUFYPDPQMLM-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383860;MM383860;O=CC=C(C=CCO)CO;HSYSNEZFHACPKR-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383861;MM383861;C#CC(=CC=O)C(O)CO;BXIJQRUHWZNHBI-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383862;MM383862;CNC(C=CCO)=CC=O;RHJQUFBVQDMLEZ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383863;MM383863;C#CC(=CC#N)C(O)CF;KZKMVALJFPLGQQ-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383864;MM383864;C=CC=C(C=CCC)OC;WRNGUESBIUQVIB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383865;MM383865;C#CC(=CC#N)C(F)CO;CNXDXBGHYJFQOR-UHFFFAOYSA-N;139.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383866;MM383866;C=CC=C(C=CCN)OC;MITDDEHABFFGSQ-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383867;MM383867;C#CC(=CC=C)C(C)NC;WBOBSTJVPPNWSE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383868;MM383868;COC(C=CCO)=CC#N;XMYNTVZEOGBTOT-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383869;MM383869;C#CC(=CC=O)C(C)OC;KOPIRAUGMGCCPH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383870;MM383870;C=CC=C(C=COC)OC;ABUSNIVRINGPSR-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383871;MM383871;C#CC(=NN=C)C(O)CN;FYTAKMWJXRWYPL-UHFFFAOYSA-N;139.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383872;MM383872;COC=CC(=CC=O)OC;QTZKAZMSSBSCKP-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383873;MM383873;C#CC(=NN=C)C(O)CF;WGTXDCBCCLNTFA-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383874;MM383874;COC=CC(=CC#N)OC;FWEZJSWSZXONEX-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383875;MM383875;C#CC(=NN=C)C(F)CN;FRFRXCLVPAFMLZ-UHFFFAOYSA-N;141.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383876;MM383876;C=Cc1c[nH]c(N)c1C;VQERJWVZDNJMEK-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383877;MM383877;C#CC(=NN=C)C(F)CO;OTTXABCNKIOXST-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383878;MM383878;COc1[nH]cc(N)c1C;HZNPAXLSSSKIQY-UHFFFAOYSA-N;126.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383879;MM383879;C#CC(=CC=O)N(C)CC;ZJNYBHPLTAOXBJ-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383880;MM383880;C=CC=C(C=NNC)OC;CBEUMXHBYXDJOX-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383881;MM383881;C#CC(=NN=C)N(N)CC;VFFTXKMVRPBWKS-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383882;MM383882;C=CC=C(C=NOC)OC;FXIUATARGIWSHD-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383883;MM383883;C#CC(=NN=C)N(O)CC;YPTHIBVSQPSYTI-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383884;MM383884;C=NN=C(C=CCO)OC;JCBFDIZICBKDJG-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383885;MM383885;C#CC(=NN=C)N(C)OC;QEFXBJOYQZUDHO-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383886;MM383886;C=NN=C(C=CCF)OC;BBJPVAUWQJXOEF-UHFFFAOYSA-N;144.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383887;MM383887;C#CC=C(C#C)C(N)CO;SNXJKGYQHBODNM-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383888;MM383888;C=NN=C(C=COC)OC;QFHLUVVVMRQDAS-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383889;MM383889;C#CC=C(C#C)C(O)CN;MZWIRGLXBZXPAQ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383890;MM383890;CC=CC1CC1C(C)O;KEBZDIBZDMCGGJ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383891;MM383891;C#CC=C(C#C)C(O)CF;BAKQLEPMFDHBHT-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383892;MM383892;CNC(=NC=N)NC=NN;NUVGKFGJDCFSCT-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383893;MM383893;C#CC=C(C#C)C(F)CN;CMDQQLMFVAXHIE-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383894;MM383894;C=CC=C(C=CC=O)CC;RGSLATZWKJQNCO-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383895;MM383895;C#CC=C(C#C)C(C)OC;GNIPLSKPIBOSBZ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383896;MM383896;C=CC=C(C=CC#N)CC;IKLMZDMVHLPCAS-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383897;MM383897;C#CC(=CCO)C(C)C#N;VRONPMVHJYZCHU-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383898;MM383898;C=CC=CC(=CC=C)CN;YIIZEHUHCLLDGQ-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383899;MM383899;C#CC(=CCC)C(O)C=O;BFZJUKBSEZOSDO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383900;MM383900;CNN=CNOCOC;QNZISYDBBAVILU-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383901;MM383901;C#CC(=CCC)C(O)C#N;HTYLXPLKANTZGM-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383902;MM383902;C=CC=CC(=CC=O)CO;OTDQKJPCLWBKOK-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383903;MM383903;C#CC(=CCO)C(O)C#N;HHNFCOKVEVDBBP-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383904;MM383904;CNC(C=CC=O)=CC=O;VFFSRVNHNFRFDJ-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383905;MM383905;C#CC(=COC)C(C)C#N;HMFPRGONYZPMEC-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383906;MM383906;CNC(C=CC=O)=CC#N;VOEBLMWGLKSOLJ-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383907;MM383907;C#CC(=COC)C(N)C=C;LOZONBHNGIHLRE-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383908;MM383908;C=CC=CC(=CC=C)OC;OSAKLQGYVDCYJO-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383909;MM383909;C#CC(=COC)C(O)C=C;IBWMLRFHCODGMQ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383910;MM383910;COC(C=CC=O)=CC#N;JWHVKOWTAPYZBA-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383911;MM383911;C#CC(=COC)C(F)C=C;BMTJKMAWHLLTID-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383912;MM383912;C=CC=C(C=NN=C)CC;RBVYZLFPIJQDLT-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383913;MM383913;C#CC(=COC)C(F)C#N;VNTWOGNKYSJXRD-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383914;MM383914;C=NN=CC(=CC#N)NC;FHUYCZGQXFLKFK-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383915;MM383915;C=CC(O)C(C)CC#CC;NNNALNRQLHQKBN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383916;MM383916;C=NN=CC(=CC#N)OC;HHSXLZAEDVMZLT-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383917;MM383917;CC#CC(C=O)C=NNC;VDBPCBUQZIJHBB-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383918;MM383918;C=NN=C(C=CC#N)CC;QHYKUGFAXZQOSM-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383919;MM383919;C#CC(=CCC)N(C)C=N;TZQDAHNNXCNCRA-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383920;MM383920;C=NN=C(C=CC=O)OC;QNXKRIWUWIQDJQ-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383921;MM383921;C#CC(=CCN)N(C)C=N;QZOVGLBLRNIAGY-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383922;MM383922;C=NN=C(C=CC#N)OC;MHNUJHCFXSHPNW-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383923;MM383923;C#CC(=CCC)N(C)C=O;QMSYSWLZIGBAGQ-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383924;MM383924;C=NN=CC(CO)=NN=C;HXAOETRIUIGHAO-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383925;MM383925;C#CC(=CCN)N(C)C=O;JKMQHNLUGUKUFP-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383926;MM383926;C=NN=CC(=NN=C)OC;ZMACYYQEJMWSLW-UHFFFAOYSA-N;140.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383927;MM383927;C#CC(=CCC)N(N)C=N;CSZZTWIWWIDGLU-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383928;MM383928;C#CC(=CCO)N(N)C=N;IXMIENHJXXMDFQ-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383929;MM383929;C#CC=CC(=CC=C)CO;MHRKYZPXDDHHNK-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383930;MM383930;C#CC(=CCC)N(N)C=O;OALMIXCZCBNHNI-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383931;MM383931;C#CC=CC(=CC=O)NC;MCPSKOANVMCQQC-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383932;MM383932;C=CC1=C(C)C(=C)C(O)C1;HRHPAVJFRZBJGW-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383933;MM383933;C#CC=CC(=CC#N)NC;SJERSTZNZKGENE-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383934;MM383934;C#CC(=CCN)N(O)C=N;LKYIMJXQNVVLTL-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383935;MM383935;C#CC=CC(=CC#N)OC;QWQMRMJIWMJPPU-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383936;MM383936;C#CC(=NCC)N(C)C=O;QCAGFIFIKNXJHL-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383937;MM383937;C#CC=CC(=NN=C)OC;RRWRHTCPPILURN-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383938;MM383938;C#CC(=NOC)N(C)C=C;YZIBAVOMTBFWOG-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383939;MM383939;C#CC=C(C=CCC)CC;ZYAOZCDYHXFUER-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383940;MM383940;C#CC(=NOC)N(N)C=C;JSILTZMVOCSFOJ-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383941;MM383941;C#CC=C(C=CCN)CC;UXFWBFCHWQVUBS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383942;MM383942;CCCNN=C(CF)NN;PVANGAPEPOBCHL-UHFFFAOYSA-N;148.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383943;MM383943;C#CC=C(C=CCF)CC;KAKVATIUZIVEFP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383944;MM383944;C#CC(=NCC)N(C)N=C;GHCNEEPSRVDSRS-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383945;MM383945;C#CC=C(C=CCO)CN;MVRODAWYPBKUHB-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383946;MM383946;C#CC(=CC=C)C(C)C#N;GJRVUBIFWVXEKR-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383947;MM383947;C#CC=C(C=CCO)CF;BYLOWPRXEQGGJQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383948;MM383948;C#CC(=CC#N)C(C)C#N;QWHGOFADZXNQIQ-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383949;MM383949;C#CC=C(C=COC)CC;HNABQNVCCBKBQC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383950;MM383950;C#CC(=CC#N)C(O)C=O;XPQWERVSNJHYIT-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383951;MM383951;C#CC=C(C=COC)CN;UJNOLATXNDVXKP-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383952;MM383952;C#CC(=CC#N)C(F)C=C;QXZMIECSRXVWPU-UHFFFAOYSA-N;135.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383953;MM383953;C#CC=C(C=COC)CF;PMZCVMSSVDBEHL-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383954;MM383954;C#CC(=CC=C)C(F)C=O;UGDFOIWZOSTQEB-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383955;MM383955;C#CC=C(C=CCC)OC;WMHPMAKECHXANB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383956;MM383956;C#CC(=NN=C)C(C)C#N;IEUMLKHYMMBDBT-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383957;MM383957;C#CC=C(C=CCO)OC;KHLVWGMWFPAHNJ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383958;MM383958;C#CC(=NN=C)C(O)C=O;YLXDREUEYRTYSL-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383959;MM383959;C#CC=C(C=COC)OC;FRLAJFIKWKSDJF-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383960;MM383960;C#CC(=NN=C)C(F)C=C;MSSAGBMYVDUEHY-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383961;MM383961;C#CC=C(C=NNC)CC;RQNKKLIEOAYWSN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383962;MM383962;C#CC(=CC=O)N(C)C=O;ULCQHDHNYBMYIQ-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383963;MM383963;C#CC=C(C=NNC)CN;FXTFVNDOEHPWJT-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383964;MM383964;C#CC(=CC=C)N(N)C=N;JBNJSCXSGMVATJ-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383965;MM383965;C#CCONC=NNC;GHICOLFKPIZRBW-UHFFFAOYSA-N;127.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383966;MM383966;C#CC(=CC=C)N(N)C=O;WXURHAXBBQWFAL-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383967;MM383967;C#CC=C(C=NNC)CF;CZTFCTXYGJYECA-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383968;MM383968;C#CC(=NN=C)N(C)C=C;CBAIPBWOEGAVOV-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383969;MM383969;C#CC=C(C=NOC)OC;SMIWEFJWUKOLIS-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383970;MM383970;C#CC(=NN=C)N(C)C=O;UPUXMCPVTVJVDP-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383971;MM383971;C#CC=C(C=CC=O)CC;NXHIHKKLZVDAAC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383972;MM383972;C#CC(=NN=C)N(N)C=C;XKFGRBCLIOVPHN-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383973;MM383973;C#CC=C(C=CC=C)CN;GJTINUBMHFXGGT-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383974;MM383974;C#CC(=NN=C)N(O)C=C;FQMDWHDYOOOEIE-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383975;MM383975;C#CC=C(C=CC#N)OC;JEFWDXSRKKVXBI-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383976;MM383976;C#CC(=NN=C)N(C)N=C;HFODPTRJUUHCJZ-UHFFFAOYSA-N;136.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383977;MM383977;C#CC=C(C=NN=C)CC;LSVJFGZOLBNGHY-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383978;MM383978;C#CC=C(C#C)C(C)C=O;OUXBBJNBIWHRNR-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383979;MM383979;C#CC=C(C=NN=C)CO;QIPACUBQAVYOBJ-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383980;MM383980;C#CC=C(C#C)C(C)C#N;QQNWCLZMXAGJKR-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383981;MM383981;C#CC=C(C=NN=C)OC;VESJUWCYFFZSQZ-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383982;MM383982;C#CC=C(C#C)C(N)C=C;OUASNFXHXQQJPO-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383983;MM383983;C#CC=CC(=CC#C)CC;CZVHSNXBXSGAAP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383984;MM383984;C#CC=C(C#C)C(F)C=C;GMAFABMEDCHONH-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383985;MM383985;C=CC(C=CCC)=CCN;QEBXJMVBACBPPB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383986;MM383986;C#CC(=CCN)C(N)C#C;ABNAKRJTAJEYLD-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383987;MM383987;C=CC(C=CCN)=CCN;YLJYABONYSJXQF-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383988;MM383988;C#CC(=CCN)C(O)C#C;WFCZQCHOVHLIPJ-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383989;MM383989;C=CC(C=CCO)=CCN;XFLDBWUNKIAFCG-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383990;MM383990;C#CC(=COC)C(F)C#C;VWKJTVDMEKGGHX-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383991;MM383991;C=CC(C=CCF)=CCN;FMGSZGVXETZNOG-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383992;MM383992;C#CC(=NNC)C(C)C#C;ALOYPOSFAVEEOR-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383993;MM383993;C=CC(C=CCC)=CCO;PXFVWIUXTHHYOG-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383994;MM383994;C#CC1(COCC=O)CN1;PPRREJDRAFRXCL-UHFFFAOYSA-N;139.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383995;MM383995;CCC=C(C#N)C=CCO;PFYUIYHHYURZSE-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383996;MM383996;C#CC(=NN=C)C(O)C#C;NNHPMALSAXZGMR-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383997;MM383997;CCC=C(C#N)C=CCF;VCPPDQBDHIRCKO-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383998;MM383998;C#CC(=NN=C)C(F)C#C;XQJJCFWVQLSNMA-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM383999;MM383999;C=CC(C=COC)=CCN;CXZLNBZRPMXKAC-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384000;MM384000;C#CC=C(C#C)C(O)C#C;UFEOMMDDGNFVJZ-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384001;MM384001;C=CC(C=COC)=CCO;SMNNZVKHIXKLOO-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384002;MM384002;C#CC=C(C#C)C(F)C#C;ZKCBCPCZCVUHDY-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384003;MM384003;CCC=C(C#N)C=COC;ANGNFBCQVOUKGO-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384004;MM384004;C=C(CO)C(=CCO)CC;XIGFGYHVEZDVBM-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384005;MM384005;COC=CC(C=O)=CCO;MWJOTAFMNLDWGC-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384006;MM384006;C=C(CC)C(=CCO)CN;ADNLCPUALICCRB-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384007;MM384007;COC=CC(C#N)=CCO;PPKNDGDLUQSPMY-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384008;MM384008;C=C(CF)C(=CCO)CN;VQZLSYZRRPPKLI-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384009;MM384009;CCC=CC(C=O)=CNC;CYIPMUXWGDPOIC-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384010;MM384010;C=C(CN)C(=CCF)CO;KMMIUUCPBQBVQK-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384011;MM384011;CNC=C(C#N)C=CCF;FXYVFQBLRBVXLN-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384012;MM384012;C=C(CF)C(=CCO)CO;SLAZPZSQTGGGIG-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384013;MM384013;CNC=C(C=O)C=COC;QGAPFZGWQXODHU-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384014;MM384014;C=C(CC)C(=CCN)CF;OKKJCJWWGFDZGU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384015;MM384015;C=CC(C=CCO)=COC;YMLLBXPYOJXQEO-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384016;MM384016;C=C(CO)C(=CCN)CF;LJVDVKSIHHPNDY-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384017;MM384017;COC=C(C=O)C=CCO;LFLVIOSEHRJULW-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384018;MM384018;C=C(CO)C(=CCO)CF;UGKZYMGQGHWZKU-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384019;MM384019;C=CC(C=COC)=COC;UWBJWANFEDWWFK-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384020;MM384020;CCC(=O)C(=CCO)CO;ZEBACXAOEPTKFI-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384021;MM384021;COC=CC(C=O)=COC;HRSWVJDHJIEDAB-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384022;MM384022;CCC(=O)C(=CCF)CO;DWNVJZRHIDHCOO-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384023;MM384023;COC=CC(C#N)=COC;BTKARBTVGDXRCI-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384024;MM384024;CCC(=CNC)C(=O)CF;MDTBXNQJZPAOFU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384025;MM384025;COC=NN=CNOC;JCMCRHPUEKIWGT-UHFFFAOYSA-N;131.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384026;MM384026;CNC=C(CF)C(=O)CF;UYRCRPKXDHHBRE-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384027;MM384027;C=CC(C=NOC)=COC;YCWWZIGDSAVGPR-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384028;MM384028;C=C(CF)C(=COC)CO;ATQHZOJURUGIMK-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384029;MM384029;C=CC(=C)CC(C)(C)CO;PTBFBOFXIAMEID-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384030;MM384030;CCC(=CCO)C(=N)NO;RBMPCCXREDKLDS-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384031;MM384031;C=CC(C=CCC)=NOC;UNTXGVQBSFGUON-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384032;MM384032;CCC=C(CN)C(=N)NO;QOHLWGBPSWEEFK-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384033;MM384033;C=CC(C=CCN)=NOC;CKSJNQTWBSEOHP-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384034;MM384034;CCC=C(CO)C(=N)NN;UNZRESDGJHPVCF-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384035;MM384035;COC(=O)CNCC(C)=O;PKNWSXQYXQOVAK-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384036;MM384036;N=C(NN)C(=CCO)CO;GSZSKHMGIXNGED-UHFFFAOYSA-N;145.16;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384037;MM384037;C=C(C)C(=C)C1CC1(C)O;MYEJBGNTWJGAME-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384038;MM384038;CCC=C(CO)C(=N)NO;NZRWZSLPFUKMHJ-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384039;MM384039;COC=CC(C#N)=NOC;GBUINRATDNNDFE-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384040;MM384040;N=C(NO)C(=CCO)CO;KAKBNVJSXCKLNV-UHFFFAOYSA-N;146.15;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384041;MM384041;CON=CC(C=O)=NOC;USQSRXQXFFKBHD-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384042;MM384042;CCC(CO)C1CC(C)C1;WGBRGVALSVGWFQ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384043;MM384043;C=CC(C=CC=O)=CCC;FYRUMTXRXSGTAM-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384044;MM384044;CCC=C(CC)C(=O)NO;IPBHMMHOWMDHQQ-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384045;MM384045;C=CC(C=CC#N)=CCC;XUEQDZSOCQFDLT-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384046;MM384046;C=C(CF)C1C(C=O)N1C;MRVOMJKWZJYHQS-UHFFFAOYSA-N;143.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384047;MM384047;C=CC=CC(C=C)=CCN;GNYFRHGQHYDGBR-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384048;MM384048;COC=NNCC#CC#N;WTZVSSHSYKLFDP-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384049;MM384049;C=CC(C=CC#N)=CCO;IBCWXGGATXVGGV-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384050;MM384050;O=C(NO)C(=CCO)CO;LSGHRHDMQDNXDE-UHFFFAOYSA-N;147.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384051;MM384051;C=CC=CC(C#N)=CCC;MYJCJSQDCBFPCC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384052;MM384052;C#CC=CC1C(C=O)N1C;GKIZJJGLYSZFAV-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384053;MM384053;CCC=C(C#N)C=CC=O;IMBYCBGKYUSZGB-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384054;MM384054;CCC(=CNC)C(=O)NO;PWDQTDYXYPPQTL-UHFFFAOYSA-N;144.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384055;MM384055;CCC=C(C#N)C=CC#N;BMJGEZPMLRPVIF-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384056;MM384056;CCC(=COC)C(=N)NN;LWPRWSOOTDTHOZ-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384057;MM384057;C=CC=CC(C=O)=CNC;GPWHBBAPZTWWQP-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384058;MM384058;CCC(=COC)C(=N)NO;IALYQKUMTDLEDT-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384059;MM384059;C=CC(C=CC=O)=COC;MQALATUVGGEYAB-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384060;MM384060;COC=C(CO)C(=N)NN;DJDUFDURPSDICP-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384061;MM384061;C=CC(C=NN=C)=CCN;ZJQUCPSVQXPGCE-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384062;MM384062;NN=C1COC(=NN)NN1;WOFABGCVQLQHJV-UHFFFAOYSA-N;144.14;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384063;MM384063;C=NN=CC(C#N)=COC;DXTXMRRCWSKFSI-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384064;MM384064;C=CC1C=CN(C=N)N=C1;LRIUKCWLHAVBNV-UHFFFAOYSA-N;135.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384065;MM384065;C=CC(C=CC=O)=NNC;WCCOSFKDJFONDH-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384066;MM384066;COC=C(CO)C(=O)NO;QLAFOVLJKQUOQM-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384067;MM384067;CC(C)C(C)CC1(O)CC1;CNHKOTZTXHXUQQ-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384068;MM384068;C=CC1(CO)CC1C1CC1;KNOBXUDOFNCMES-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384069;MM384069;C=CC=CC(C=C)=NOC;JVMHXIYJNSNNIB-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384070;MM384070;C=C(OC)C(=COC)CO;RGZPHFCNFFAQRV-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384071;MM384071;CON=C(C=O)C=CC#N;LCRLBYIRGBSOSI-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384072;MM384072;CCC=C(OC)C(=O)CO;XGNGUTPQNVBYSF-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384073;MM384073;C=CCC=CC(O)C(C)C;JYBIYMQVSVLNRJ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384074;MM384074;CNC=C(OC)C(=O)CF;AXQRHFCVLPNWLB-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384075;MM384075;C=CC(C=NN=C)=NOC;UYBMHTDWOOOCOD-UHFFFAOYSA-N;139.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384076;MM384076;C=C(CF)C(=COC)OC;LRZAAPSBXXDYMR-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384077;MM384077;C=NN=CC(C#N)=NOC;UMJPOMGPGKMIPZ-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384078;MM384078;CCC(=O)C(=COC)OC;JZDCKXWFECHEOP-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384079;MM384079;C#CC=CC(C=C)=CCN;WRRGBVSDIYVZDB-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384080;MM384080;COC=C(OC)C(=O)CO;BJODJHUSEVUJPC-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384081;MM384081;C#CC=CC(C=C)=CCO;TXFJWPQQFMPLMK-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384082;MM384082;CCC=C(OC)C(=N)NC;WWEMGBYXDMMNEV-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384083;MM384083;C#CC=CC(C#N)=COC;KYIADIBDQMNPPP-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384084;MM384084;CNC(=N)C(=CCN)OC;RBAMVIKGGBRJPV-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384085;MM384085;C#CC=CC(C=C)=NNC;QRJYKASZLDXBCF-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384086;MM384086;CCC=C(OC)C(=N)NN;QDEYLLBZIMJQRC-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384087;MM384087;C#CC=CC(C=C)=NOC;KFDKUVADFWXHOS-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384088;MM384088;COC(=CCO)C(=N)NN;ANHKEJGWDRKBPA-UHFFFAOYSA-N;145.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384089;MM384089;C=CC=C(C=C)C=CCC;NFLSBAWUIDZURD-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384090;MM384090;COC(=CCF)C(=N)NN;BPIIYDAKDBVSBO-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384091;MM384091;C=CC=C(C=C)C=CCF;TWTVBQLWFULRKA-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384092;MM384092;CCC=C(OC)C(=N)NO;KCCMBQSTFDEGIN-UHFFFAOYSA-N;144.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384093;MM384093;C=CC(C=CCC)=CC=O;DJIZXDUWUZFIIA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384094;MM384094;COC(=CCN)C(=N)NO;WLPUMCZQSMBGBT-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384095;MM384095;C=CC(C=CCC)=CC#N;LGZJFAGXXUIDFN-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384096;MM384096;COC(=CCO)C(=N)NO;LMARZJLYCFQUPE-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384097;MM384097;C=CC(C=CCO)=CC#N;YEUFGHJSCCQYOK-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384098;MM384098;CCC=C(OC)C(=O)NC;FIVBUYYAIAAERW-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384099;MM384099;C=CC(C=CCF)=CC=O;GBHDANBPHKGRTM-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384100;MM384100;CNC(=O)C(=CCN)OC;BBIUJKREHPNTAN-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384101;MM384101;C=CC=C(C=O)C=CCC;AJVPGRLKUDNYGE-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384102;MM384102;C=C(C)CC(C)O;KPHPTSMXBAVNPX-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384103;MM384103;C=CC=C(C#N)C=CCC;FNSVZCFLWUGFKW-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384104;MM384104;COC(=CCN)C(=O)NO;VZPNPOAWTNTTGF-UHFFFAOYSA-N;146.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384105;MM384105;CCC=CC(C=O)=CC=O;FSAJAKJPBDESIW-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384106;MM384106;COC(=CCO)C(=O)NO;OYDAVUSNPGZEFU-UHFFFAOYSA-N;147.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384107;MM384107;CCC=CC(C#N)=CC#N;BLZXZEOCIUQPOO-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384108;MM384108;CNC=C(OC)C(=N)NC;VPXZIRUSNIUPNN-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384109;MM384109;N#CC=C(C#N)C=CCO;DVAOCVNOLDZPNA-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384110;MM384110;CNC=C(OC)C(=N)NN;FOLRFUKXFIVBFR-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384111;MM384111;N#CC(C=CCF)=CC=O;QLFBFGLJPPWPEH-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384112;MM384112;CNC=C(OC)C(=N)NO;BGUIOOQNBUZBLB-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384113;MM384113;C=CC=C(C=C)C=COC;MGOHYEGGLJCUOL-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384114;MM384114;CNC=C(OC)C(=O)NC;SVGWEHAHAUXNPZ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384115;MM384115;COC(=O)C(=CCN)OC;YGBKSVPXIFKKJF-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384116;MM384116;C=CC=C(C=O)C=COC;MQISTJYADZTHGD-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384117;MM384117;COC(=O)C(=CCF)OC;HOLPYAYSDCJPPO-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384118;MM384118;C=CC(C=NNC)=CC#N;QZOWHRZTMIBNAY-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384119;MM384119;C=C(OC)C(=COC)OC;RSBIMOIDGSBACL-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384120;MM384120;CCOC(=NNC)NNC;WGJCENNRAMPWGS-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384121;MM384121;C=C(CN)C(CN)=NNC;UUXMUTPHZYNSFC-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384122;MM384122;C=CC=C(C=C)C=NOC;ALYOGMNQBOEKQC-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384123;MM384123;C=C(CN)C(CO)=NNC;UPTQQWZVAZVSRR-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384124;MM384124;C=CC(C=NOC)=CC#N;KDLOPCVIJVAGJJ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384125;MM384125;CCC(=NNC)C(=O)CO;OMZOETCBHXAPBK-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384126;MM384126;C=CC(C=CCC)=NN=C;MCHYDPDHJMHSAM-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384127;MM384127;CCC(=O)C(CO)=NNC;XNGKXFFQNNFYGS-UHFFFAOYSA-N;144.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384128;MM384128;C=NN=C(C=O)C=COC;QZAGXIYODZRKQQ-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384129;MM384129;CNN=C(CO)C(=O)CO;RENLISZGLGJWPQ-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384130;MM384130;C=NN=C(C#N)C=COC;LZSYMZAPWOWNLB-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384131;MM384131;C#CCC1(O)CC1C;BNFSTVXTWKTMJP-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384132;MM384132;CNN=C(C=CN)C(C)=O;IXDLDQWHMKYOQL-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384133;MM384133;C=C(CC)C(CN)=NOC;DJQVWCNXRYHFDA-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384134;MM384134;C#CCC12CC(O)CC1C2;XLDFMQFPYMDIHU-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384135;MM384135;C=C(CF)C(CN)=NOC;CAGKSRRPJJGXFM-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384136;MM384136;C=CC=CC(C=C)=CC=O;INVXNFKFFULTGG-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384137;MM384137;C=C(CN)C(CF)=NOC;XWKNHOSFJHKOTA-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384138;MM384138;C=CC=CC(C=C)=CC#N;WAPWXHBNVRZCEJ-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384139;MM384139;CCC(=NOC)C(=O)CO;WALMDGFELLDZMN-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384140;MM384140;C=CC(C=CC=O)=CC#N;REUJQZNSLCMZAQ-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384141;MM384141;CCC(=NNC)C(=O)NO;VWYIRUOPMTUPFX-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384142;MM384142;C=CC=CC(C=O)=CC=C;FSIYOAYBTGKWAL-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384143;MM384143;CC(C)C1(C)CC1O;UMUARCDWGPOTSA-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384144;MM384144;C=CC=C(C#N)C=CC=O;CDTSFNDHIAXWDU-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384145;MM384145;CON=C(CO)C(=O)NO;QULYAMQSCCILGQ-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384146;MM384146;C=CC=C(C=O)C=CC#N;IJMMHYBLSYXOJD-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384147;MM384147;CNN=C(CO)C(=O)OC;DLSACIGVXPKNDT-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384148;MM384148;C=CC=C(C#N)C=CC#N;RYTCAFDKEQRIDN-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384149;MM384149;C=C(OC)C(CN)=NOC;WCZMODFOZDGNDE-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384150;MM384150;C=CC=CC(C#N)=CC=O;OJBSMKAMTNGHTH-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384151;MM384151;C=C(CC)C(=NO)NOC;ZYNFFPPFHINXJW-UHFFFAOYSA-N;144.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384152;MM384152;C=CC=CC(C#N)=CC#N;MRXUTNPUJWWBRD-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384153;MM384153;C=C(CN)C(=NNC)OC;BBZINWLSRDPQGI-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384154;MM384154;O=CC=CC(C=O)=CC=O;TVVMICHYWFUNQF-UHFFFAOYSA-N;138.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384155;MM384155;CNN=C(OC)C(=O)CO;DLDRQXZOAIBIIY-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384156;MM384156;N#CC=CC(C=O)=CC=O;PHTSHRVSTUDYQP-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384157;MM384157;C=C(CN)C(=NOC)OC;INCXENCBDYYLLN-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384158;MM384158;N#CC(C=CC=O)=CC=O;GLUXHCRFCUBCSX-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384159;MM384159;C=C(CF)C(=NOC)OC;GREQLEBDNYJKNU-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384160;MM384160;N#CC=C(C=O)C=CC=O;BVMQOXIDNZFFLR-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384161;MM384161;Cc1c(N)nnn1N;JIVFYHGFZQZSMI-UHFFFAOYSA-N;113.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384162;MM384162;N#CC=CC(C#N)=CC=O;ALPVIDNDGCJOGR-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384163;MM384163;C=CC(C=NN=C)=CC=O;SSGXXVCXPQJJNH-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384164;MM384164;CON=C(OC)C(=O)NN;MUORWWRMLCHPRK-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384165;MM384165;C=CC(C=NN=C)=CC#N;FODUPIBBEXKWKB-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384166;MM384166;C=C(OC)C(=NOC)OC;FEYOAKQJHCVJDR-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384168;MM384168;C=C(CO)C(=CC#N)CC;RFZFFOXFUYLRBY-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384167;MM384167;C=CC=C(C=O)C=NN=C;BBPBTFQRWUERAD-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384169;MM384169;C=CC=C(CN)C(=C)CO;ZFXDCVIDURAQIP-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384170;MM384170;C=NN=CC(C=O)=CC#N;KYOIJNUNKMRTFN-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384171;MM384171;C=CC=C(CO)C(=C)CN;VFRRTDQBLXYFOU-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384172;MM384172;C=NN=CC(C=O)=NN=C;FPVFOVKEYCMKEY-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384173;MM384173;C=C(CO)C(=CC=O)CO;YJHQYSXLKUFSAB-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384174;MM384174;C=NN=CC(C#N)=NN=C;LBLFRAADBVWMQM-UHFFFAOYSA-N;135.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384175;MM384175;C=C(CF)C(=CC#N)CO;LBUWVMVBPNWGJQ-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384176;MM384176;C#CC=CC(C=C)=CC=C;QNCUQPGSIOWEIV-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384177;MM384177;CCC(=CC#N)C(=O)CO;INXLFNOUUJGWTN-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384178;MM384178;C#CC=CC(C#N)=CC=C;RHAIDFBSURCAFC-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384179;MM384179;C=CC=C(CO)C(=O)CO;GBWBRZBOQSRTDE-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384180;MM384180;C#CC=CC(C=O)=CC=O;JUIQNGMOHBGGAK-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384181;MM384181;C=CC=C(CF)C(=O)CO;WRHNUJIZWFGEHN-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384182;MM384182;C#CC=CC(C#N)=NN=C;WHBFVGOJAZXZMB-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384183;MM384183;O=CC=C(CF)C(=O)CO;KJDAVWQUDDWNJV-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384184;MM384184;C#CC=C(C=C)C=CCC;GEBLMYRINZWWAB-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384185;MM384185;CCC(=CC=O)C(=N)NC;NJDSSNVWINOEOL-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384186;MM384186;C#CC=C(C=C)C=CCN;IWDDFNQYUPBIDF-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384187;MM384187;C=CC=C(CO)C(=N)NC;ZCHZFBMDILHTFS-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384188;MM384188;C#CC=C(C=C)C=CCF;LJZCBAWMHUFQOX-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384189;MM384189;CC(C)C1C(C)C1O;GAQUBOSRHYFBPC-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384190;MM384190;C#CC=C(C=O)C=CCC;RCHOPYPTCZMYOU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384191;MM384191;C=CC=C(CC)C(=O)NO;NCKKYEWKQJANOJ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384192;MM384192;C#CC=C(C#N)C=CCC;KCTQPDBWHDMQGQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384193;MM384193;CNC(=O)C(=CC=O)CO;SRMQYISQMCGXNC-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384194;MM384194;C#CC=C(C#N)C=CCO;IYBFIVUQKIBMPC-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384195;MM384195;COC(=O)C(=CC=O)CO;ZVMTXYTWXGROPP-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384196;MM384196;C#CC=C(C#N)C=CCF;LLDJBKHSNFMKCY-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384197;MM384197;C=C(CO)C(=CC=O)NC;FYSBPKSQELEDCW-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384198;MM384198;C#CC=C(C=O)C=COC;SZKBSQSSTMNCHU-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384199;MM384199;C=C(CF)C(=CC#N)NC;DZVXPKIEPOFLAP-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384200;MM384200;C#CC=C(C#N)C=COC;FUGWNPJMJXTJIL-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384201;MM384201;CNC(=CC#N)C(=O)CO;ILPAINXEUKRNEG-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384202;MM384202;C#CC=C(C=C)C=NOC;PPVRRHFLBVJQCX-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384203;MM384203;CNC(=CC=O)C(=N)NO;XEBGOSDEKGBQNM-UHFFFAOYSA-N;143.15;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384204;MM384204;C#CC=C(C#N)C=NOC;XKRUCWOSHYTYDH-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384205;MM384205;CCC1C(O)C1CC;RRACOTCJCUTLIE-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384206;MM384206;C#CC=C(C=C)C=CC#N;FHLLVESCSYDAPL-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384207;MM384207;CNC(=O)C(=CC#N)NC;VYULKTCQRBPHSI-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384208;MM384208;C#CC=C(C=O)C=CC=O;UOVYJKHHOCJBJP-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384209;MM384209;CNC(=CC=O)C(=O)NO;LCOIYVORWSJHQM-UHFFFAOYSA-N;144.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384210;MM384210;C#CC=C(C#N)C=CC=O;ZCZSLAXBYUTNBL-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384211;MM384211;C=C(CO)C(=CC#N)OC;WGEKCMGMMJXBEF-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384212;MM384212;C#CC=C(C=C)C=NN=C;RJVUDOSIPXHWRG-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384213;MM384213;C=C(CF)C(=CC=O)OC;QPGDAQSEUZEMMH-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384214;MM384214;C#CC=C(C#N)C=NN=C;XLDYBLWWCPCXBE-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384215;MM384215;C=C(CF)C(=CC#N)OC;KTGNYSRVPSZHJT-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384216;MM384216;C#CC=CC(C=O)=CC#C;MNDMBSVECPHVLX-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384217;MM384217;CCC(=O)C(=CC=O)OC;CFIZCYJSLTUJGT-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384218;MM384218;C#CC=CC(C#N)=CC#C;MHOIUVDZUUNXAF-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384219;MM384219;CCC(=O)C(=CC#N)OC;LCSGGCCPIOTSNS-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384220;MM384220;C#CC(C=CCC)=CCC;HOMDBBSUFPWDFM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384221;MM384221;C=CC=C(OC)C(=O)CO;RQXMZQVYVWRJMF-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384222;MM384222;C#CC(C=CCN)=CCC;HUVCUQTWWKFDOI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384223;MM384223;COC(=CC=O)C(=O)CO;QAMBCGNCTFSWBM-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384224;MM384224;C#CC(C=CCF)=CCC;ZZKSQUUDRINJGK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384225;MM384225;COC(=CC#N)C(=O)CF;QKBFXRYBWUATFS-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384226;MM384226;C#CC(C=CCC)=CCN;FWDSLGGNSZRQQN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384227;MM384227;C=CC=C(OC)C(=N)NC;MCWQVETURIIZIL-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384228;MM384228;C#CC(C=COC)=CCC;PSAWZDICUJPEOI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384229;MM384229;C=CC=C(OC)C(=N)NN;REUCYGADQJBGTE-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384230;MM384230;C#CC(C=COC)=CCN;YOLVMLZNFWEQBM-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384231;MM384231;C=CC=C(OC)C(=N)NO;NWDHYYJMHXTRHO-UHFFFAOYSA-N;142.16;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384232;MM384232;C#CC(C=CCO)=COC;ZJPGJQCOWQAFFV-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384233;MM384233;CNC(=O)C(=CC=O)OC;RNQHOJJTEQEKKP-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384234;MM384234;C#CC(C=COC)=COC;JYINAZFULHRWBO-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384235;MM384235;C=C(OC)C(=CC=O)OC;PKJUPWOYGHPKAT-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384236;MM384236;C#CC(C=NNC)=CCN;CWLRVAIIPASGHC-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384237;MM384237;C=C(OC)C(=CC#N)OC;ZLVJVBUQJZLHIZ-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384238;MM384238;C=CC(C)(C=CCC)CO;IFVHDDCONOBCPB-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384239;MM384239;C=NN=C(CO)C(=C)CN;IABUIAVFGQVEHI-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384240;MM384240;C#CC(C=NOC)=CCC;PNEGFUXYYURHSA-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384241;MM384241;C=NN=C(CO)C(=C)CF;LQBDXWSGSXTURW-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384242;MM384242;C#CC(C=NOC)=COC;PQAHFEPCXPFHSF-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384243;MM384243;C=NN=C(CC)C(=O)CO;DHRRAUKZYCUSOR-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384244;MM384244;C#CC(C=CCF)=NOC;PYSXRYQGKQAXGR-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384245;MM384245;C=NN=C(CO)C(=O)CC;JLWVCNAFGMSLRS-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384246;MM384246;C#CC(C=COC)=NOC;WNPVGPJHMXVAMR-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384247;MM384247;C=NN=C(CO)C(=O)CO;MTWKOUOGMBUMFV-UHFFFAOYSA-N;144.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384248;MM384248;C#CC(C=CC=C)=CCC;JBDOWWNHCYONHC-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384249;MM384249;C=NN=C(CO)C(=O)CF;ZBZJAEXMCZVJTJ-UHFFFAOYSA-N;146.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384250;MM384250;C#CC(C=CC=O)=CCC;ZRKZMJHIQPOQCL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384251;MM384251;C#CCC(C)CC(C)O;LXULPKVLWSFAKL-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384252;MM384252;C#CC(C=CC#N)=CCC;VPUYIYKNGYTYKV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384253;MM384253;C=NN=C(CO)C(=O)NC;TWYZMAWLOCQMME-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384254;MM384254;C#CC(C=CC=O)=COC;MTEVIDSEVLFIEV-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384255;MM384255;C=NN=C(CO)C(=C)OC;NDRZEXRGBZGWFS-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384256;MM384256;C#CC(C=NN=C)=CCC;WMBSBDIBIIOJII-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384257;MM384257;C=NN=C(OC)C(=C)CO;KLUHCYBZVKPWBB-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384258;MM384258;C#CC(C=NN=C)=COC;IDHHVNPRODVNDW-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384259;MM384259;C=NN=C(OC)C(=C)CF;WGKXZELIKKLVQD-UHFFFAOYSA-N;144.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384260;MM384260;C#CC(C=CC#N)=NNC;AYRUCGQXPNZQAZ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384261;MM384261;C=NN=C(OC)C(=O)CC;BGZIRRZVKWHYNH-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384262;MM384262;CCC(CC)CC1(O)CC1;HUQDGNQWDYUHDS-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384263;MM384263;C=NN=C(OC)C(=O)CF;KQMJJTRVPQFXFJ-UHFFFAOYSA-N;146.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384264;MM384264;C#CC=CC(C#C)=CCC;NLOZSBKZYHQSES-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384265;MM384265;C=NN=C(OC)C(=C)OC;AERPYIWXNCVYOX-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384266;MM384266;C#CC=CC(C#C)=CCN;JDHRMPZAARAGMO-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384267;MM384267;C#CC=C(CF)C(=C)CO;MZNVKTKDYDNRBK-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384268;MM384268;C#CC=CC(C#C)=COC;GUEWIKQRUWNBSR-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384269;MM384269;C#CC=C(CO)C(=O)CC;QKRZODHWUDWJJW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384270;MM384270;C#CC=CC(C#C)=NNC;QNSGHSNSPDOQAG-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384271;MM384271;C#CC=C(CC)C(=N)NC;YABIOEBMBMLUIX-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384272;MM384272;C#CC(C=CCC)=CC=C;MBWJOJOZWRRLTH-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384273;MM384273;C#CC=C(CO)C(=N)NN;WQRWAASJKNMYJD-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384274;MM384274;C#CC(C=CCN)=CC=C;PNNFHLKSVHLWDX-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384275;MM384275;C#CC=C(CO)C(=N)NO;OHGUTFXZBCSTCZ-UHFFFAOYSA-N;140.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384276;MM384276;C#CC(C=CCF)=CC=C;DNRDVRVXAKVJHR-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384277;MM384277;C#CC(=C)C(C)(C)CO;XXMRQWIKVWHMSY-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384278;MM384278;C#CC(C=CCC)=CC#N;JCDHXEXXZAYIHY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384279;MM384279;C#CC=C(CC)C(=O)NO;VKDOVGCNHQXUCH-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384280;MM384280;C#CC(C=CCO)=CC#N;HKEHQJPCSDTSKW-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384281;MM384281;C#CC1(C)CC(O)C1C;QHEOKWUNBGWXHY-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384282;MM384282;C#CC(C=CCF)=CC=O;RFDOPBUMGNVQPU-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384283;MM384283;C=CC(O)CC1(C)CC1;FAXLUFADHSELPO-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384284;MM384284;C#CC(C=CCF)=CC#N;WOIVRAGANGLOMV-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384285;MM384285;C#CC=C(CO)C(=C)OC;ZGIDBDJVJPFCIG-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384286;MM384286;C#CC(C=COC)=CC=C;KDNJPTXGRJIDQS-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384287;MM384287;C#CC=C(CO)C(=O)OC;DRLNOPRDAOQCED-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384288;MM384288;C#CC(C=COC)=CC=O;ZIOYEYCRRQGZQK-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384289;MM384289;C#CC=C(OC)C(=C)CN;PRMUVXPXGPZUEU-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384290;MM384290;C#CC(C=COC)=CC#N;WKTWBSVQYKADMM-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384291;MM384291;C#CC=C(OC)C(=C)CF;KJDIDYVQCOLOCN-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384292;MM384292;C#CC(C=NNC)=CC=C;CBDHMFMQBMQBNE-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384293;MM384293;C#CC=C(OC)C(=O)CF;RHVSGLZJDSIRIP-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384294;MM384294;C#CC(C=NOC)=CC=C;KUPMPNBPDZWKGN-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384295;MM384295;C#CC=C(OC)C(=N)NC;ACPCIMMHBDXGQA-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384296;MM384296;C#CC(C=NOC)=CC#N;PVLLIKWHDOQNDU-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384297;MM384297;C#CC=C(OC)C(=C)OC;GOTDCNOTXXFIKO-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384298;MM384298;C#CC(C=CCN)=NN=C;VCDFBNRGJLVIHC-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384299;MM384299;C=C(C=O)C(=CCO)CO;RIXZAKARYDKSBE-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384300;MM384300;CN(C=O)N=C(CF)NN;NSSCTJGDJNMSGC-UHFFFAOYSA-N;148.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384301;MM384301;CCC=C(CC)C(=O)C=O;WWVAWQSNQRSZAC-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384302;MM384302;C#CC(C=NOC)=NN=C;JWROVJMJTXQHSO-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384303;MM384303;CCC=C(CC)C(=O)C#N;FYYDFELETZBTJR-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384304;MM384304;C#CC(C=CC=O)=CC=C;SUJFIMYLQZVMGR-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384305;MM384305;C=CC(=O)C(=CCO)CO;RYTJTTVJNQBYOJ-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384306;MM384306;C#CC(C=CC#N)=CC=C;PLAATINMNUHELB-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384307;MM384307;N#CC(=O)C(=CCO)CO;GTLJHKGDHPIRKH-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384308;MM384308;C#CC(C=CC=C)=CC#N;KJJNCKCCQYURMM-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384309;MM384309;O=CC(=O)C(=CCF)CO;SRPYQIMTIYIHSM-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384310;MM384310;C#CC(C=CC=O)=CC#N;UBHMULQHTRUTKS-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384311;MM384311;C=CC(=O)C(=CNC)CC;SEWGITHFMZLKIN-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384312;MM384312;C#CC(C=CC#N)=CC#N;SDDDAJUDWJGWEC-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384313;MM384313;C=CC(=O)C(=CNC)CF;QKNGKGJHZSBIST-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384314;MM384314;C#CC(C=NN=C)=CC=O;XFIYJVRYPIDYRL-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384315;MM384315;CNC=C(CF)C(=O)C#N;QZQSAVFOEVNLIK-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384316;MM384316;C#CC(C=NN=C)=CC#N;MGNSAZLIILFWQG-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384317;MM384317;COC=C(CF)C(=O)C=O;MVIDPCLJMAPNNG-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384318;MM384318;C#CC=CC(C#C)=CC=C;PKCYHVNNACBIJL-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384319;MM384319;COC(=CCF)C(=O)C=O;ZFKZLKYHTZYHES-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384320;MM384320;C#CC=CC(C#C)=CC=O;JWBBFKBGZYHWJP-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384321;MM384321;C=CC(=C)C(=COC)OC;RSZSQYLGUQSDPY-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384322;MM384322;C#CC=CC(C#C)=CC#N;QUVVPJWQTRIXAJ-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384323;MM384323;C=C(C=O)C(=COC)OC;QKUXYVCMSMXUJO-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384324;MM384324;C#CC=C(C#C)C=CCC;ATDNKAGLKROKPU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384325;MM384325;C=C(C#N)C(=COC)OC;ZDPIOPGEDNXRDE-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384326;MM384326;C#CC=C(C#C)C=CCN;GFNWAASVBGMACV-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384327;MM384327;C=CC(=O)C(=COC)OC;OQLIJQAPRAWCJV-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384328;MM384328;C#CC=C(C#C)C=CCO;UVJSWJQOAJQECZ-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384329;MM384329;C=CC(=C)C(CC)=NNC;XQUUSUVHPDOBPJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384330;MM384330;C#CC=C(C#C)C=CCF;WQEYHBLVWUREEJ-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384331;MM384331;C=C(C)CCC1(O)CC1;IILQSHKTZUZBMJ-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384332;MM384332;C#CC=C(C#C)C=COC;JHZCFQQUTCGIID-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384333;MM384333;C#CCC(O)CCC=C;UHALZHSGOJDKEF-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384334;MM384334;C#CC=C(C#C)C=NNC;LNIZEXYNHMJSQY-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384335;MM384335;C#CCCCC1(O)CC1;FALCWAKDZGTQQM-UHFFFAOYSA-N;124.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384336;MM384336;C#CC=C(C#C)C=NOC;YZNINTGEOZUKEE-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384337;MM384337;C#CC1C(C)C1(C)CO;DRVPNVKJRBZHQZ-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384338;MM384338;C#CC=C(C#C)C=CC=C;ZYBKRUKFCIPTMV-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384339;MM384339;Cn1nc(NN)cc1F;IEJHDHCJUSUZAF-UHFFFAOYSA-N;130.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384340;MM384340;C#CC=C(C#C)C=CC=O;FZRVGEACKKUFIS-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384341;MM384341;C=CC(=C)C(=NOC)OC;KZBKSCAKODOGPQ-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384342;MM384342;C#CC=C(C#C)C=CC#N;DPAAQEUAXUHSPD-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384343;MM384343;C=C(C#N)C(=NOC)OC;RGERQMKCEGLSPF-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384344;MM384344;C#CC=C(C#C)C=NN=C;ZMHLMWXTMBVBIH-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384345;MM384345;C=C(C#N)C(=CC=O)CC;BFONALBCPLTLDD-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384346;MM384346;C#CC=CC(C#C)=CC#C;YVCPTKWZRRGSEA-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384347;MM384347;C=C(C#N)C(=CC#N)CO;XUYLEBNPOSVCSC-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384348;MM384348;CCC#CC(=CCC)CC;USUQVMXALZHUKR-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384349;MM384349;C=C(C=O)C(=CC#N)CF;MOESASFAHYTRNJ-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384350;MM384350;CCC=C(C#CCN)CC;AVLOVSMDGKSMMX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384351;MM384351;C=CC=C(CO)C(=O)C#N;GQIQUOYDSFVFSL-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384352;MM384352;CCC=C(C#CCO)CC;XNTNIFCWCBLTLX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384353;MM384353;C=CC(=C)C(=CC#N)OC;CDNCPXXOYRQMJN-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384354;MM384354;CCC=C(C#CCF)CC;BFRDJVIUIJGFSG-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384355;MM384355;C=NN=C(CO)C(=C)C=O;GHRKIOWDUIPUGC-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384356;MM384356;CCC#CC(=CCN)CC;GVWDTBFCJRKRAE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384357;MM384357;C=NN=C(CF)C(=O)C=O;PNVSAJWLFFNGRE-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384358;MM384358;CCC(C#CCO)=CCN;XJYIJIYQDXAOJW-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384359;MM384359;C=CC(=C)C(=NN=C)OC;PSAFMUDVCUGGKZ-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384360;MM384360;CCC#CC(=CCO)CC;PYQQGVMRTJTAKL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384361;MM384361;C=NN=C(OC)C(=C)C=O;YKGGJPGCKBHDSK-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384362;MM384362;CCC(C#CCN)=CCO;CRCCNAVNSXXFRX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384363;MM384363;C=NN=C(OC)C(=C)C#N;GHTUUINGEHFMOG-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384364;MM384364;CCC(C#CCO)=CCO;CJQZPBHYSNYQBM-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384365;MM384365;C=CC(=O)C(=NN=C)OC;QWLLUFRSQZXGAE-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384366;MM384366;CCC#CC(=CCC)CN;FUZTTXMGSVPNMM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384367;MM384367;C=NN=C(OC)C(=O)C=O;QOBJHBBPFKSMIF-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384368;MM384368;CCC=C(C#CCO)CN;HOZWAOKWFFRNRL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384369;MM384369;C#CC=C(CO)C(=O)C=C;GDNIKTURMFVKLW-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384370;MM384370;CCC=C(C#CCF)CN;RUQYKOARJCKCIX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384371;MM384371;C#CC(=O)C(=CCO)CC;GHLVTBLMSVRWFA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384372;MM384372;NCC#CC(=CCN)CN;ALQIGWONYRHTQR-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384373;MM384373;C#CC(=O)C(=CCC)CO;UTMISTXBCLJCHV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384374;MM384374;NCC=C(C#CCO)CN;HWKSHJDQURULRE-UHFFFAOYSA-N;140.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384375;MM384375;C#CC(=O)C(=CCF)CO;NILZJAWDRNNXFO-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384376;MM384376;CCC#CC(=CCO)CN;HMKACHJBSKATDK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384377;MM384377;C#CC(=C)C(=COC)CO;HHBNKFOTCRKTTC-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384378;MM384378;NCC#CC(=CCO)CN;PVARXSJOTSTEOE-UHFFFAOYSA-N;140.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384379;MM384379;C#CC(=C)C(=CCO)OC;MAIUASHOGKMTLV-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384380;MM384380;NCC(C#CCO)=CCO;GHMPTRDCOGFJKC-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384381;MM384381;C#CC(=C)C(=COC)OC;KMEMNSKKMWCYEV-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384382;MM384382;NCC(C#CCF)=CCO;TZXVBUCVEQZVMP-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384383;MM384383;C#CC(=C)C(CN)=NOC;OWNCBXBLYXPBGM-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384384;MM384384;NCC(C#CCO)=CCF;JFHLRWMJFZLPMB-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384385;MM384385;CC#Cc1nc(N)co1;CTZYTTQCQQXNFQ-UHFFFAOYSA-N;122.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384386;MM384386;CCC#CC(=CCC)CO;FAUJZUHHQNSSQU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384387;MM384387;C#CC(=O)C(CO)=NOC;XQVMJDWIPZSULN-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384388;MM384388;CCC=C(C#CCO)CO;FQYTXMXZPJVQQX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384389;MM384389;CC(=O)C1NC1C(C)C;VSZKWSMDNGULTH-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384390;MM384390;CCC#CC(=CCN)CO;SZLPXQSWIUAELK-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384391;MM384391;C#CC(=C)C(=NOC)OC;JFAWRFFJDALFDG-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384392;MM384392;NCC=C(C#CCF)CO;PMGPAMOGMUMMCI-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384393;MM384393;C#CC(=O)C(=CC=O)CO;YQIUAYCTLMTSSX-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384394;MM384394;CCC#CC(=CCO)CO;PDDANAJIQRMIOV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384395;MM384395;C#CC(=C)C(=CC#N)OC;QWOWUOFDSJNPSV-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384396;MM384396;NCC#CC(=CCO)CO;KZQFMQPQIGLLNV-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384397;MM384397;C#CC(=C)C(CO)=NN=C;QFKNVOAPOUUZJE-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384398;MM384398;OCC#CC(=CCO)CO;WGMQTRTWITYZSC-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384399;MM384399;C#CC(=C)C(=NN=C)OC;YYXBCSVEZQRCLR-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384400;MM384400;OCC=C(C#CCF)CO;XGIIRZGPDXGLGO-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384401;MM384401;C#CC=C(CO)C(=C)C#C;CCOHVHKEGAPFCS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384402;MM384402;NCC#CC(=CCF)CO;RDIGJMPCUGELPY-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384403;MM384403;C=CC(=CCO)C(=C)CN;LRDVEIYLTMRZCG-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384404;MM384404;OCC#CC(=CCF)CO;HKNNXVATNJDOQJ-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384405;MM384405;C=CC(=CCO)C(=C)CO;YZHOTSXTYGAOHH-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384406;MM384406;OCC(C#CCF)=CCF;JYYWSBFZTHATPL-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384407;MM384407;C=C(CF)C(C#N)=CCO;ZIMKOVBLOMJKKV-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384408;MM384408;NCC#CC(=CCN)CF;PMDLSLJXWLKXPY-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384409;MM384409;C=CC(=CCO)C(=O)CC;BTRDRQWIBVFRGP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384410;MM384410;NCC=C(C#CCO)CF;QUQAHLQSTLJXRN-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384411;MM384411;O=CC(=CCF)C(=O)CO;QMCKVKKHIOVIIV-UHFFFAOYSA-N;146.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384412;MM384412;NCC#CC(=CCO)CF;CLLYKCPCANMXHQ-UHFFFAOYSA-N;143.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384413;MM384413;N#CC(=CCF)C(=O)CO;RRMVANUIURLLIZ-UHFFFAOYSA-N;143.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384414;MM384414;OCC#CC(=CCO)CF;ULEVFDXTQNYPSX-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384415;MM384415;CCC(=O)C(C#N)=COC;NKMSEBNLFJXVTR-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384416;MM384416;OCC=C(C#CCF)CF;SSMNGAUIKFCLEE-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384417;MM384417;COC=C(C#N)C(=O)CO;SLIQFYQNYBMCDP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384418;MM384418;NCC#CC(=CCF)CF;GUKSTTLAJMDGDV-UHFFFAOYSA-N;145.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384419;MM384419;C=CC(=CCC)C(=O)NO;QXBVBTPBVMQIJT-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384420;MM384420;OCC#CC(=CCF)CF;BUKNGNVQMDLOHX-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384421;MM384421;CNC(=O)C(C=O)=CCO;UWLGPNXCWLWSRM-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384422;MM384422;O=CC(=CCF)C(=O)NO;OUXWVFCTGBOXEK-UHFFFAOYSA-N;147.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384423;MM384423;CCC(C#CCO)=COC;SKRNIAZMNYLBJJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384424;MM384424;CC=CC(O)CC1CC1;UYERZJMXLFTYJT-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384425;MM384425;CCC#CC(=COC)CN;OAXFQILNZJBAOV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384426;MM384426;CNC=C(C#N)C(=O)NO;ZSWPUPBSUNPVSF-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384427;MM384427;COC=C(C#CCN)CN;OKSHBHDUXYUOST-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384428;MM384428;C=CC(=COC)C(=N)NN;RBTWVHVOWHKZOD-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384429;MM384429;COC=C(C#CCO)CN;PIEBWNCJNKIROZ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384430;MM384430;C=CC(=COC)C(=O)NO;HBBALSIRFHRSJB-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384431;MM384431;CCC#CC(=COC)CO;HSAHLDGPQUKCOJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384432;MM384432;COC=C(C=O)C(=O)NO;JFBDVJPIOZGHNM-UHFFFAOYSA-N;145.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384433;MM384433;COC=C(C#CCN)CO;QRPCNOQFYSBVTL-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384434;MM384434;C=CC(=CCN)C(=O)OC;NIWOBPJUVNZCDU-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384435;MM384435;COC=C(C#CCO)CO;JZLGLDFVVLPTOK-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384436;MM384436;C=C(OC)C(C=O)=CNC;ICJXSZSIOHXLHF-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384437;MM384437;COC=C(C#CCO)CF;AVJIEWNCGVIQEY-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384438;MM384438;C=C(OC)C(C#N)=COC;FPFVPRNUSVMUBK-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384439;MM384439;COC=C(C#CCF)CF;MXRSTFFYKIKXKS-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384440;MM384440;C=CC(=NNC)C(=C)CN;YSHSTMNIHTZYTJ-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384441;MM384441;CCC=C(C#CCN)OC;RHULZDPWAZDFFG-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384442;MM384442;CCNN=C(C=O)C=O;UQFXHSKTSFYIQM-UHFFFAOYSA-N;128.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384443;MM384443;CCC=C(C#CCO)OC;KYBACBPVKBHMPG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384444;MM384444;CCC=C(C#CCF)OC;FAVFEFPXSOMOQI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384445;MM384445;C=C1C=CC2(CO)CC12;QHQZIJBNXHEBNS-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384446;MM384446;COC(C#CCO)=CCN;WAYKWTSLBOFVCA-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384447;MM384447;CNN=C(C=O)C(=O)CO;CJCWGXHQQLWIIR-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384448;MM384448;COC(C#CCF)=CCN;NUVDMRUZVKQVAV-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384449;MM384449;CNN=C(C#N)C(=O)CO;JYENAEZCRPVCGP-UHFFFAOYSA-N;141.13;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384450;MM384450;CCC#CC(=CCO)OC;ZRWFXBJJCXVZLK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384451;MM384451;C=NOCCOCC=O;GKDVCIBOJHTDRR-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384452;MM384452;COC(C#CCN)=CCO;YUTXZPCSQFJZSM-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384453;MM384453;C=C(CF)C(C#N)=NOC;UHSWOOXIXKOSBU-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384454;MM384454;COC(C#CCO)=CCO;CXGSNOPPJBYINJ-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384455;MM384455;CCC(=O)C(C#N)=NOC;CAZAFDYBCRTJEA-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384456;MM384456;COC(C#CCO)=CCF;AIIKULRKELZSIU-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384457;MM384457;CON=C(C#N)C(=O)CO;UGDVZXKBJZHILQ-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384458;MM384458;CCC#CC(=COC)OC;IAANJKYFQIQEFQ-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384459;MM384459;C=CCCN1CC1C=O;XKTZZYXNERJMMU-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384460;MM384460;COC=C(C#CCF)OC;CJPADLCOWKWJIE-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384461;MM384461;N#CCCN1CC1C=O;UIAOZGCYVREVKH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384462;MM384462;CCC(C#CCF)=NNC;RWJOHNLGLXIILM-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384463;MM384463;C#CCCN1CC1C=O;ROCZFIVWIQUZBO-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384464;MM384464;CNN=C(C#CCN)CN;JTIHRXWIDPISCQ-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384465;MM384465;CNC(=O)C(C=O)=NOC;AIJYVEPLRGGNLF-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384466;MM384466;CNN=C(C#CCN)CO;BIJRXZACIWXEAX-UHFFFAOYSA-N;141.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384467;MM384467;C=C(OC)C(C#N)=NOC;QSSYJPJYYVYHQT-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384468;MM384468;C=C(C)C1CC1(CC)CO;SYHZWMVZNKYDKJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384469;MM384469;NC(N)=CC(=O)CC(F)F;HRIOJNBNPYNOIR-UHFFFAOYSA-N;150.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384470;MM384470;CCNN=C(N)C#CC=O;VDMJXKKAIFZNAI-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384471;MM384471;C=CC=C(C=O)C(=C)CO;FHVQEZWIAHVIBR-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384472;MM384472;CNN=C(C#CCN)CF;OFCMXZXEGMMNIJ-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384473;MM384473;C=C(CO)C(C#N)=CC=O;JGIILTNLSNHBDF-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384474;MM384474;C=CCCC(C)C(O)C=C;PWJTXEGWKCDFHB-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384475;MM384475;C=C(CF)C(C#N)=CC=O;QWIMRJDASPHVPE-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384476;MM384476;CNN=C(C#CCF)CF;PCIFKRWXXQAKMG-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384477;MM384477;CCC(=O)C(C#N)=CC=O;GDOANGXZZVLRQN-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384478;MM384478;CCC#CC(CC)=NOC;HSFWISYXGHCJEN-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384479;MM384479;O=CC=C(C=O)C(=O)CF;ITNRUIGWOTUWPV-UHFFFAOYSA-N;144.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384480;MM384480;CCC(C#CCN)=NOC;VBVBKUNODBIFEK-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384481;MM384481;N#CC(=CC=O)C(=O)CF;PQNRZFYWJGQYGC-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384482;MM384482;CCC(C#CCF)=NOC;YVYPMRLRGODHNQ-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384483;MM384483;CC(C)(C)NN=C(N)C=O;DTJPBTLLPZCCIU-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384484;MM384484;CON=C(C#CCN)CN;ARWIVHKKFSNTHE-UHFFFAOYSA-N;141.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384485;MM384485;C=CC=C(C#N)C(=N)NC;RQYZODAEWUQUSF-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384486;MM384486;C=CCC=C(C)C(O)CC;FNRCTSZYOADFDY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384487;MM384487;C=CC=C(C=O)C(N)=NO;PNANDDIQGCVIBA-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384488;MM384488;CON=C(C#CCN)CO;MUCNHDCGRXBFOU-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384489;MM384489;C=CC(=CC#N)C(=O)NC;RCXQLXZKEKLKMS-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384490;MM384490;CNN=CNOC(C)C#N;JHSUEOUUIQZBTD-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384491;MM384491;C=CC(=CC=O)C(=O)NO;BYOKBSUHHBAMHA-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384492;MM384492;C#CC(C)ONC=NNC;OZRZAFOFVPMRBS-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384493;MM384493;C=CC=C(C#N)C(=O)NC;YRIJZTGEMWUMRO-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384494;MM384494;CON=C(C#CCF)CF;JVKOZIUNXYDEGB-UHFFFAOYSA-N;147.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384495;MM384495;CNC(=O)C(C#N)=CC=O;ZJGPPXIDBGVCFE-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384496;MM384496;C#CC(=C)CNN=CC=O;VPTVNHFKAUJTEU-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384497;MM384497;CNC(=O)C(C=O)=CC#N;LWVLEDOXQLPVSC-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384498;MM384498;CCC#CC(=NOC)OC;LUZDGSRUMBIEMU-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384499;MM384499;C=NN=C(C#N)C(=O)CC;FVGZOUVMHKRWHI-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384500;MM384500;CON=C(C#CCN)OC;OJJFEFCFWXTRGK-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384501;MM384501;C=NN=C(C=O)C(=O)CF;HHAVWNSFVOVCEV-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384502;MM384502;CON=C(C#CCF)OC;ZAEHBCSKIUUYDB-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384503;MM384503;C=NN=C(C#N)C(=O)CF;NSVRCGSYTOCIMK-UHFFFAOYSA-N;141.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384504;MM384504;C=CC#CC(=CCC)CC;IRLZWJHGNAONJM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384505;MM384505;C=NN=C(C=O)C(=C)OC;RINWWUUZLKIHKL-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384506;MM384506;CCC=C(C#CC=O)CC;LFRDAWDFJNQBQD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384507;MM384507;C=NN=C(C#N)C(=C)OC;YFVPEDLSEZZRST-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384508;MM384508;CCC=C(C#CC#N)CC;BBBLVMVLJOLLSH-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384509;MM384509;C#CC=C(C=O)C(=C)CF;AADKAMGWOYNKFM-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384510;MM384510;CCC(C#CC=O)=CCO;AQWYRDWLWRHPCX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384511;MM384511;C#CC=C(C=C)C(=O)CO;MRSAJPLZHYJXCC-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384512;MM384512;CCC(C#CC#N)=CCF;UXSISNCSDMEKJH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384513;MM384513;C#CC=C(C#N)C(=O)CC;GLNYUZDHYNCXSF-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384514;MM384514;C=CC#CC(=CCC)CN;UMFDPSUUSXAJNO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384515;MM384515;C#CC=C(C#N)C(=O)CO;BTZDHQBWDDJYTR-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384516;MM384516;C=CC#CC(=CCN)CN;FTOHMQRSEHVPGD-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384517;MM384517;C#CC=C(C=O)C(N)=NC;UMNCLEHAMKMCHA-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384518;MM384518;C=CC#CC(=CCO)CN;XJKRHZZSWJRJBY-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384519;MM384519;C#CC1(C#C)CC(C)(O)C1;OHSRRCXTGPRFLZ-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384520;MM384520;C=CC#CC(=CCN)CO;RPEXTMRRBJQVRR-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384521;MM384521;C#CC=C(C=C)C(=O)NO;ZXSSTRYPDGNVNO-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384522;MM384522;O=CC#CC(=CCF)CF;RABOBQPXUWCAQZ-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384523;MM384523;C#CC=C(C=O)C(=O)NC;VLKQXQTXIMWGAK-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384524;MM384524;C#CC=C(C#N)C(=C)OC;DSGCFHGTNBQNEA-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384525;MM384525;CCC(C#CC=O)=COC;SSHWHYCJQOKPIX-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384526;MM384526;C=CC(=CCO)C(=C)C#N;XNAZDDIFGHCNEW-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384527;MM384527;C=CC#CC(=COC)CO;YNBLEJYQFQTFRH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384528;MM384528;C=CC(=C)C(C=O)=CCO;FHNJFLFCQMJDNS-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384529;MM384529;COC=C(C#CC=O)CF;KNJNMGZROLMQNC-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384530;MM384530;C=C(C=O)C(C#N)=CCC;RXJLOXVBWZYBOK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384531;MM384531;CCC=C(C#CC=O)OC;JMVJBUZFWTZUSF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384532;MM384532;C=CC(=CCC)C(=O)C#N;SGRSIXLKUXUZIC-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384533;MM384533;C=CC#CC(=CCO)OC;VBGKVWGKGHNTHV-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384534;MM384534;C=CC(=CCO)C(=O)C=O;FXQNQASUXODJEW-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384535;MM384535;COC(C#CC=O)=CCF;VLDFFUPZOQTZCF-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384536;MM384536;C=CC(=O)C(C#N)=CCC;FASNSORGYKUTEP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384537;MM384537;C=CC#CC(=COC)OC;PXXVGCPKMBXDMT-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384538;MM384538;C=CC(=O)C(C#N)=CCO;UMQXDMSOFGORTM-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384539;MM384539;COC=C(C#CC#N)OC;ANTYZCIZNZZBJQ-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384540;MM384540;C=CC(=O)C(C=O)=CCF;XQPQYFHLSONKAB-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384541;MM384541;C#CC(=O)ONC=NC=N;SMABSDCFIKQDLJ-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384542;MM384542;N#CC(=CCF)C(=O)C=O;MMADFEQPFODEPE-UHFFFAOYSA-N;141.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384543;MM384543;CC(C#N)=CNN=CC=O;SVBLMVGFVBFQEP-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384544;MM384544;C=C(C=O)C(C=O)=CNC;DJSXRVHHPPXWMS-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384545;MM384545;C=CC#CC(CC)=NOC;SHJIVDUKLLYNPP-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384546;MM384546;C=CC(=O)C(C=O)=CNC;UHYONVZVUOMIGF-UHFFFAOYSA-N;139.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384547;MM384547;CCC(C#CC#N)=NOC;SYYZUMMHLDZCPT-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384548;MM384548;C=C(C=O)C(C#N)=COC;PJLGMJTZFPXBOA-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384549;MM384549;CC=NNC(=NN)OCC;ACBHCCNGARUOFR-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384550;MM384550;C=CC(=O)C(C#N)=COC;VLWOMRIRULHXBX-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384551;MM384551;CCNNC(=NNC)OC;RSOHFPLEFADLCS-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384552;MM384552;C=CC(C)(O)CCCC#N;OCBWIMHVVGAXOJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384553;MM384553;C=CC#CC(=NOC)OC;TWXXVUKFSWKVDI-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384554;MM384554;C=CC(=CC#N)C(=C)C=O;AFYBWRSEQSDDTQ-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384555;MM384555;CON=C(C#CC=O)OC;SPDUPKAXYFBBCN-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384556;MM384556;C=CC(=CC=O)C(=C)C#N;WCXIXQJULPUXQN-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384557;MM384557;C#CC#CC(=CCC)CC;IPDNTGSVOCIKHO-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384558;MM384558;C=CC(=C)C(C=O)=CC#N;SBBQZHBETYUIQH-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384559;MM384559;C#CC#CC(=CCN)CC;HUSCBZCBQBFCMF-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384560;MM384560;C=CC=C(C=O)C(=C)C#N;OCLLISJWFZWAGL-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384561;MM384561;C#CC#CC(=CCO)CC;ZRFVYSGBWULOON-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384562;MM384562;C=CC=C(C=C)C(=O)C#N;PTLWOAZGZCHYEE-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384563;MM384563;C#CC#CC(=CCF)CC;HWOKZMSMJKXYCP-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384564;MM384564;N#CC=C(C=O)C(=O)C=O;WZSBNMLNRUOCJJ-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384565;MM384565;C#CC#CC(=CCN)CN;PQRDINMYZYQKNR-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384566;MM384566;N#CC(=CC=O)C(=O)C=O;CYPAEXUQDHVFIC-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384567;MM384567;C#CC#CC(=COC)CO;IBHGRQXSQWAKFY-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384568;MM384568;C=NN=C(C=O)C(=C)C=O;ORNHTKIUALQFMW-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384569;MM384569;C#CC#CC(=CCC)OC;STNWDMYIUNFDIJ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384570;MM384570;C=NN=C(C#N)C(=C)C=O;XZKACWQMKYFTRV-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384571;MM384571;C#CC#CC(=CCO)OC;MZIFELKCWFDESL-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384572;MM384572;C=NN=C(C#N)C(=C)C#N;DAGIJRBWFJRFNP-UHFFFAOYSA-N;132.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384573;MM384573;C#CC#CC(=COC)OC;FJQDACWBKHABME-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384574;MM384574;C=CC(=O)C(C=O)=NN=C;FAZFYRVQWKMHEX-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384575;MM384575;C#CC#CC(CC)=NOC;WBOLUWMPUBSJME-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384576;MM384576;C=CC(=O)C(C#N)=NN=C;KHIDXGWSXXVIMV-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384577;MM384577;C#CC#CC(CO)=NOC;IMGKYVNYIJMWJI-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384578;MM384578;C#CC=C(C=C)C(=C)C#N;CFGDKGMPPIWWQM-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384579;MM384579;C#CC#CC(=NOC)OC;AXPMCIYZAPTSDP-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384580;MM384580;C#CC=C(C#N)C(=C)C=C;FLNNUMGOZGHKKI-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384581;MM384581;C=CC=C(C#CCC)CC;VJVWDWKXJNVNBA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384582;MM384582;C#CC=C(C#N)C(=C)C=O;USBGROZLZAPUEI-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384583;MM384583;C=CC=C(C#CCN)CC;SQDPMYMEXFGXJS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384584;MM384584;C#CC=C(C#N)C(=O)C#N;BMYWXMKDFBPIBX-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384585;MM384585;C=CC=C(C#CCO)CC;IMWFDMKVABSNDO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384586;MM384586;C#CC(=C)C(C#N)=COC;YBPJHTVEESLPHD-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384587;MM384587;C=CC=C(C#CCF)CC;XJCGJVWTKKTSDI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384588;MM384588;C#CC=C1C=CC(C)(O)C1;CLMVBAQREAMQEN-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384589;MM384589;CCC#CC(=CC=O)CC;PBCTUUAIHNJUEK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384590;MM384590;C#CC(=C)C(C#N)=NOC;ZWFWKNWBANNWKJ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384591;MM384591;CCC#CC(=CC#N)CC;XALVJOMXHLTUKU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384592;MM384592;CCC(C#CCO)=CC=O;NDRRWKNKBIFPNQ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384593;MM384593;C#CC(=O)C(C#N)=NOC;BQDDALHLXQGPIC-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384594;MM384594;CCC(C#CCO)=CC#N;NYRILHZXPURSBE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384595;MM384595;C#CC=C(C=C)C(=C)C#C;GCRUEJOGDUOCMW-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384596;MM384596;CCC(C#CCF)=CC=O;MTSBTEUOFYDEEV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384597;MM384597;C#CC(=CCF)C(=C)CN;YETWVHUCKSSCTJ-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384598;MM384598;CCC(C#CCF)=CC#N;UXSXCKTUDYZQJH-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384599;MM384599;C#CC(=CCF)C(=O)CC;IVVCZHGWXJQNPT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384600;MM384600;C=CC=C(C#CCC)CN;SXNKDSVQBZAFDY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384601;MM384601;C#CC(=CCC)C(=O)CO;YVMJKGZJFRNCFV-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384602;MM384602;C=CC=C(C#CCN)CN;RNIYLZMGTJZURK-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384603;MM384603;C#CC(=CCF)C(=O)CO;FFSKQMKYBGPQDL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384604;MM384604;C=CC=C(C#CCO)CN;ZKAVWPFGONRLBY-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384605;MM384605;C#CC(=COC)C(=C)CN;NSEBXXWOYVEGIS-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384606;MM384606;C=CC=C(C#CCF)CN;GMSKPAWNPCZSCZ-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384607;MM384607;C#CC(=COC)C(=C)CF;GBTRTYIKTGMNMH-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384608;MM384608;C=CC=C(C#CCC)CO;UMQCYHLJFDKOOF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384609;MM384609;C#CC(=COC)C(=O)CC;NADSNJOVOPJGTE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384610;MM384610;C=CC=C(C#CCF)CO;ZBTBHFAWQVMVGY-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384611;MM384611;C#CC(=CCC)C(=N)NC;UYPXQBDFVWVOCI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384612;MM384612;CCC#CC(=CC#N)CO;TZKCXZIWLQXGLF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384613;MM384613;C#CC(=CCC)C(=N)NN;VEAMVWWQAJVZJQ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384614;MM384614;C=CC=C(C#CCC)CF;NVXDZQXXMCDIOH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384615;MM384615;C#CC(=CCO)C(=N)NN;BWIHMEOXLDLUBD-UHFFFAOYSA-N;139.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384616;MM384616;C#CC(=CCN)C(=N)NO;WFCUELWJJRXUEE-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384617;MM384617;C=CC=C(C#CCO)CF;URNQYVLHULIFPC-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384618;MM384618;C#CC(=CCC)C(=O)NC;VPYWIVOHHDAQKU-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384619;MM384619;C=CC=C(C#CCF)CF;QGCXGCSUKVDERT-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384620;MM384620;C#CC(=CCN)C(=O)NC;CBVRXHBOJGHELA-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384621;MM384621;CCC#CC(=CC#N)CF;GYGBFVMUPQQBIR-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384622;MM384622;C=CC(N)=NN=CC(C)=O;ULNDYUFRALNYED-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384623;MM384623;O=CC=C(C#CCF)CF;NOJIUDCXQAHMOI-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384624;MM384624;C=C(F)CNN=C(C)C=O;ALXZFBPLJXAMFZ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384625;MM384625;N#CC=C(C#CCF)CF;VKHWEUGHFSCBLY-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384626;MM384626;C#CC(=CCN)C(=O)NO;NJOYEDZGLJZZKL-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384627;MM384627;CCC#CC(=CC#N)NC;WFGLGWQVTYZZJR-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384628;MM384628;C#CC(=CCO)C(=O)NO;ISCAXWFKOPNQIM-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384629;MM384629;CNC(C#CCO)=CC=O;ABNADPLJYIUNNA-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384630;MM384630;C#CC(=CNC)C(=N)NC;MICYIVXTBQNGTJ-UHFFFAOYSA-N;137.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384631;MM384631;CNC(C#CCF)=CC#N;VOYSBNFEMVHBTL-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384632;MM384632;C#CC(=CNC)C(=O)NC;YQZAUWPYFKKAJV-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384633;MM384633;C=CC=C(C#CCN)OC;CRMJKGUILBVURI-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384634;MM384634;C=CC(C)C(C)CC(C)O;XTCQWSPOEZRFOA-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384635;MM384635;C=CC=C(C#CCO)OC;PHJINVOKKXKWBQ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384636;MM384636;C#CC(=CNC)C(=O)NO;KRQLZTMOONTJTL-UHFFFAOYSA-N;140.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384637;MM384637;C=CC=C(C#CCF)OC;WHOAMLBPNULWOM-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384638;MM384638;C#CC(=NNC)C(=O)CO;XMEAAHSYMCWKQF-UHFFFAOYSA-N;140.14;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384639;MM384639;CCC#CC(=CC=O)OC;ATEDYEKXICKQFB-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384640;MM384640;CC(O)CC(C)C(C)C=O;RTYSGXPXKZFGDH-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384641;MM384641;CCC#CC(=CC#N)OC;RNMAIVKNLWKENW-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384642;MM384642;C#CC(=NNC)C(=O)NO;QEVDMLASZILTOC-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384643;MM384643;COC(C#CCF)=CC=O;JZIWCPMEAKQJGH-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384644;MM384644;C#CC(=NOC)C(=C)OC;OMQLFBVDJRBHJS-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384645;MM384645;COC(C#CCF)=CC#N;SPLVCTLYFVGAID-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384646;MM384646;C#CC(=CC#N)C(=C)CF;NJJIYYOTPZRVKN-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384647;MM384647;C=NN=C(C#CCN)CC;LYPKSQUHRRWWOE-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384648;MM384648;C#CC(=CC=O)C(=O)CC;SERRSHBRVJBFNH-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384649;MM384649;C=NN=C(C#CCO)CC;NZZVWWHWNYAMCK-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384650;MM384650;C#CC(=CC=O)C(=O)CO;LNUVTYVMCVOESV-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384651;MM384651;C=NN=C(C#CCO)CO;IKFHGFSVVLGWTO-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384652;MM384652;C#CC(=CC#N)C(=O)CO;MYBVUOAZDUFDTC-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384653;MM384653;C=NN=C(C#CCC)CF;RJYQPSPHOZXJDS-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384654;MM384654;C=CC(CC(C)O)C(C)C;VLQZRBRTRAHTHQ-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384655;MM384655;C=NN=C(C#CCC)OC;RCGQWOBGYYUVND-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384656;MM384656;C#CC(=CC=C)C(=O)NO;COSKEENOCMFXNI-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384657;MM384657;C=NN=C(C#CCF)OC;SIEIZROUUWLGEJ-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384658;MM384658;C#CC(=NN=C)C(=C)CN;VVGHSNMFVCESSE-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384659;MM384659;C=CC#CC(=CC=C)CC;JAXKZZAQYSRVHM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384660;MM384660;C#CC(=NN=C)C(=C)OC;JYOVRXNNMJXSMN-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384661;MM384661;C=CC=C(C#CC=O)CC;IXTVPKZLYGLDPD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384662;MM384662;C#CC(=NN=C)C(=O)OC;LUCIGEZYBLNVDE-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384663;MM384663;C=CC=C(C#CC#N)CC;CZTZNCAOVYGRGQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384664;MM384664;C#CC=C(C#C)C(=C)CN;LRMXGLPFVYRTLN-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384665;MM384665;C=CC#CC(=CC#N)CC;UUGHZTGHPMMNEC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384666;MM384666;C#CC=C(C#C)C(=C)CF;CMRRZHHUCAHTRX-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384667;MM384667;CCC(C#CC=O)=CC#N;GHWOWXWHQCJTDQ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384668;MM384668;C#CC=C(C#C)C(=O)CC;NTBWKQNABKJVHR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384669;MM384669;CCC(C#CC#N)=CC=O;VXVKDTODBBSDAE-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384670;MM384670;NN=CC=NNCC(F)F;JLLXFXORWIZFOJ-UHFFFAOYSA-N;150.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384671;MM384671;C=CC#CC(=CC=C)CN;ULYHIITUOHZYOK-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384672;MM384672;C#CC=C(C#C)C(=O)NO;HCSKEFNLSNEPAN-UHFFFAOYSA-N;135.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384673;MM384673;C=CC#CC(=CC=C)CO;KCRAFZSCPWTCAN-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384674;MM384674;C#CC=C(C#C)C(=C)OC;RKZJWCWDINUFAL-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384675;MM384675;C=CC=C(C#CC#N)CO;AHWWDPYUHNAIEL-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384676;MM384676;C#CC=C(C#C)C(=O)OC;HPSVBDNHIAOJOT-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384677;MM384677;C=CC#CC(=CC#N)CO;KXKCUTCCUZEVGJ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384678;MM384678;C#CC(=CCF)C(=C)C=O;KJPMZMZUTPTLOL-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384679;MM384679;C=CC#CC(=CC=O)CF;ZARAQDIDNTWKKP-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384680;MM384680;C#CC(=CCF)C(=O)C=C;MUNOYYNTKLCJGC-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384681;MM384681;C=CC#CC(=CC#N)CF;CIINJRTUUVTOQX-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384682;MM384682;C#CC(=COC)C(=O)C#N;QFNHMKOFPWBQFK-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384683;MM384683;N#CC#CC(=CC=O)CF;KCLFPEXJOIQLNX-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384684;MM384684;C#CCC(O)CCC=CC;LDMVBSSFVCTKMC-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384685;MM384685;C=CC#CC(=CC#N)NC;FPQKZPUIMGGELN-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384686;MM384686;C#CC(=NOC)C(=O)C=C;ARMWHVRGJMRZII-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384687;MM384687;CNC(C#CC#N)=CC#N;VHWQVQKYNDNSOK-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384688;MM384688;C#CC(=NOC)C(=O)C#N;GDEMFUTWPPOCAF-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384689;MM384689;C=CC#CC(=CC=C)OC;WUEBDBTVLSPUQC-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384690;MM384690;C#CC(=CC=C)C(=C)C=C;ZEABIUWXKSXTNM-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384691;MM384691;C=CC=C(C#CC=O)OC;UVXYBUUGHPLXFB-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384692;MM384692;C#CC(=CC=O)C(=O)C=C;GBAYCLATBAYOMT-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384693;MM384693;C=CC=C(C#CC#N)OC;FEEYQQLEWGMTOJ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384694;MM384694;C#CC(=CC=C)C(=O)C=O;LWDHQPXTZZHEMW-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384695;MM384695;C=CC#CC(=CC=O)OC;FXSFWWKPZCXDAS-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384696;MM384696;C#CC(=CC#N)C(=O)C#N;SRKSEVIIJIWMPK-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384697;MM384697;C=CC#CC(=CC#N)OC;RCTUUVYBXBYZQZ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384698;MM384698;C#CC(=NN=C)C(=C)C#N;ZFJBYJSAUZMLHU-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384699;MM384699;COC(C#CC=O)=CC=O;OKLPHNHJMKHBSW-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384700;MM384700;C#CC(=NN=C)C(=O)C=C;SSIYQWKOCZASCM-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384701;MM384701;COC(C#CC=O)=CC#N;RLIBYKOLJNUJPI-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384702;MM384702;C#CC(=NN=C)C(=O)C#N;SJEMMCWZRNRTOU-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384703;MM384703;COC(C#CC#N)=CC=O;NKNQTJLKYDUEEQ-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384704;MM384704;C#CC=C(C#C)C(=C)C=C;VUJAPJIMLIOIMA-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384705;MM384705;COC(C#CC#N)=CC#N;MFMIYHUMPLRKJK-UHFFFAOYSA-N;132.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384706;MM384706;C#CC=C(C#C)C(=C)C=O;PIHPBGRPURMDAP-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384707;MM384707;C=NN=C(C#CC=O)CC;JRZHFMIANMZWRI-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384708;MM384708;C#CC=C(C#C)C(=O)C=C;ZUCUFHVKKNMBQE-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384709;MM384709;C=CC#CC(CO)=NN=C;IXCHPLPFDJUCCE-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384710;MM384710;C#CC=C(C#C)C(=O)C=O;XVZHJNFCCQLXOV-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384711;MM384711;C=CC#CC(=NN=C)OC;DZGKHGYMQGEBLX-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384712;MM384712;C#CC=C(C#C)C(=O)C#N;TYOWXJWWNJBSJA-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384713;MM384713;C=NN=C(C#CC=O)OC;BHUBMKFTXPIJPD-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384714;MM384714;C#CC(=C)C(C#C)=CCN;PLYXRKAOWPCUII-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384715;MM384715;C=NN=C(C#CC#N)OC;XYWVNLGVMIDLHA-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384716;MM384716;C#CC(=C)C(C#C)=NOC;PECGXZFNUWHPQE-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384717;MM384717;C#CC#CC(=CC=C)CC;PAYMFYLCDOSKJF-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384718;MM384718;C#CC(=C)C(C#C)=CC#N;NBGOTTGRKNDQOP-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384719;MM384719;C#CC#CC(=CC#N)CC;BZDFKNZNJHFVRQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384720;MM384720;C#CC(=O)C(C#C)=NN=C;GRQOJZHDUSPLBS-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384721;MM384721;C#CC#CC(=CC=C)CN;JAUKUJRDHKZHES-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384722;MM384722;C#CC=C(C#C)C(=O)C#C;QFRAQUURUAZAII-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384723;MM384723;C#CC#CC(=CC=C)CO;GRXHMHVUPGNIBP-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384724;MM384724;CC=C(C)C(=CCN)CN;ZTJLUBKENJVJCV-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384725;MM384725;C#CC#CC(=CC=C)CF;MLCJQLFPMCWWOO-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384726;MM384726;CC(=CF)C(=CCN)CO;GUGNKBYACICPOE-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384727;MM384727;C#CC#CC(=CC#N)CF;HVRVLGIBJZLNLH-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384728;MM384728;CC=C(F)C(=COC)CO;XURZROBVPPTVCY-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384729;MM384729;C#CC#CC(=CC#N)NC;ZEEBLIJAFCETTO-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384730;MM384730;CCC(=CCO)C(C)=NO;AVDIAIPFRMTUJT-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384731;MM384731;C#CC#CC(=CC=C)OC;VCNKWIKPYBMLML-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384732;MM384732;CC(=NO)C(=CCO)CO;MDNNDAFSMQLJND-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384733;MM384733;C#CC#CC(=CC=O)OC;GLQBIYRRLBDQDC-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384734;MM384734;CN=CC(CO)=C(C)NN;IDACTJGRUQLFTP-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384735;MM384735;C#CC#CC(=CC#N)OC;BCECCCTYLJNRRI-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384736;MM384736;COC=C(CF)C(C)=NO;CJWNSGRVNJFKLE-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384737;MM384737;C#CC#CC(CC)=NN=C;BHCHPHZRTSHWGO-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384738;MM384738;COC(=CCO)C(F)=CF;NGFTXIWPYGFGRY-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384739;MM384739;C#CC#CC(CO)=NN=C;ROOLLTBVZSTVHC-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384740;MM384740;CC=C(F)C(=COC)OC;FADVSUOETJRYQB-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384741;MM384741;C#CC#CC(=NN=C)OC;GGGVXVHDWKHQJP-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384742;MM384742;C=NN(C=N)C(C)C(C)=O;QAQYGFRGVTWXTP-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384743;MM384743;C#CC=C(C#CCC)CC;JIHNLHNQRJTGOE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384744;MM384744;COC(=CCF)C(C)=NO;JRLPRINVESFCSY-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384745;MM384745;C#CC=C(C#CCN)CC;UJEWZFPCKKASTC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384746;MM384746;COC=C(OC)C(C)=NN;PXGUFSGSSPLQSS-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384747;MM384747;C#CC=C(C#CCO)CC;QTZPVULPHRUICW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384748;MM384748;CCC(=NNC)C(C)=CF;FUOBYXHEIGZYIZ-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384749;MM384749;C#CC=C(C#CCF)CC;UYXYGTUQKHNCNK-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384750;MM384750;CC=C(F)C(CO)=NOC;ACJPKVNOTAHGIZ-UHFFFAOYSA-N;147.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384751;MM384751;C#CC=C(C#CCC)CN;DBSAZWHAFFZRNB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384752;MM384752;CCC(=NNC)C(C)=NO;JXUQIYOLFOLTGY-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384753;MM384753;C#CC=C(C#CCN)CN;JYHVIDYLQCAOQQ-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384754;MM384754;CNN=C(CO)C(C)=NO;GHIYEEVVQWJTIG-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384755;MM384755;C#CC=C(C#CCF)CN;PXDBGVVRWBWPNI-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384756;MM384756;CC(O)C(C)C(C)CC=O;MQSHZNVZRGNZJH-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384757;MM384757;C#CC=C(C#CCC)CO;YRWVBGDQPMIBNS-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384758;MM384758;CNN=C(CF)C(C)=NO;RGKJTQNPFLGGKT-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384759;MM384759;C#CC=C(C#CCF)CO;LTJDMXYIGIRYAH-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384760;MM384760;CON=C(CO)C(C)=NO;NOQMFFSAFSAIQG-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384761;MM384761;C#CC=C(C#CCC)CF;ACLPZWZGICVSRE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384762;MM384762;CN1CC1(C)COCC=O;YUULQZCODCBDAL-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384763;MM384763;C#CC=C(C#CCN)CF;CXVNXBKCKLGGQI-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384764;MM384764;CON=C(OC)C(C)=CN;OAJTUZLFBZVSHL-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384765;MM384765;C#CC=C(C#CCF)CF;HCXNFDHSXBWQTH-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384766;MM384766;CC=C(F)C(=NOC)OC;XBELPJVGXOCOPZ-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384767;MM384767;C#CC=C(C#CCC)OC;ARDYGDGOIXWWHB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384768;MM384768;CNNC(=NC=N)OC=O;ODJNCJPWJYWUJJ-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384769;MM384769;C#CC=C(C#CCO)OC;IKZHDQNMQXZQHV-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384770;MM384770;N#CCC1=CC(=O)C(=N)N1;WZXHZLFWQIDMOG-UHFFFAOYSA-N;135.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384771;MM384771;C#CC=C(C#CCF)OC;PTEKCWGZYQSSTR-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384772;MM384772;C=CC=C(CN)C(C)=CF;KIHJRJQSQRCYEL-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384773;MM384773;C#CC=C(C#CC=C)CC;ZDAJBCLVCUPHNO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384774;MM384774;CCC(=CC#N)C(C)=NO;QLCPIARANRHGNC-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384775;MM384775;C#CC=C(C#CC=O)CC;GKHZYCYGVJHNCY-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384776;MM384776;COC(=CC=O)C(C)=NO;LPWWBZBTSNIKIX-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384777;MM384777;C#CC=C(C#CC#N)CC;IQZLLPHVSZXJBH-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384778;MM384778;COC(=CC#N)C(C)=NO;FSKOXHZJNNAKGT-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384779;MM384779;C#CC=C(C#CC=C)CN;PNIMCXTZDQYUCM-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384780;MM384780;C=NN=C(CO)C(F)=CN;SITULZBYDODSQS-UHFFFAOYSA-N;145.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384781;MM384781;C#CC=C(C#CC=C)CO;ICPPODXUFCGLGC-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384782;MM384782;C=NN=C(CO)C(F)=CF;XBBSNFRCQARJOI-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384783;MM384783;C#CC=C(C#CC=C)CF;ITMGZRYKPIQDDC-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384784;MM384784;CCC(O)CCC(C)C=O;RFMDBOLTFSOYIQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384785;MM384785;C#CC=C(C#CC#N)CF;RDVGPZZMCPDVDP-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384786;MM384786;C=NN=C(OC)C(F)=CC;JAJOXSYXJZBHGX-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384787;MM384787;C#CC=C(C#CC=C)OC;XGDZNIAVKXEBJU-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384788;MM384788;C=NN=C(OC)C(F)=CN;SYVXHMVFHXWWRQ-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384789;MM384789;C=NN=C(OC)C(F)=CF;QOTVSBYGPIVPOQ-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384790;MM384790;C#CC=C(C#CC=O)OC;HIASJSSDCBVHOD-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384792;MM384792;C#CC=C(C#CC#N)OC;DVJRLNLNJFSATD-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384791;MM384791;C#CC=C(CN)C(C)=NO;CFYLYCXUFHQANL-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384793;MM384793;C#CC=C(CO)C(C)=NO;YIDQMVSUNDFKMN-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384794;MM384794;C#CC#CC(=CC#C)CC;QZWLBXXNJRGQJB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384795;MM384795;C#CC=C(OC)C(F)=CC;OIMRMYMUVWMSTE-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384796;MM384796;C#CC#CC(=CC#C)CN;QDEOMOOLIXJLHA-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384797;MM384797;C#CC=C(OC)C(C)=NO;FCHLTRHATPZQQY-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384798;MM384798;C#CC#CC(=CC#C)CO;BRUCAAIXHMNUCG-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384799;MM384799;CC(=CF)C(C#N)=CCO;ZLPFPOHKEUEWKG-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384800;MM384800;C#CC#CC(=CC#C)CF;DSWGUJVYTKKRHU-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384801;MM384801;CC=C(C)C(C=O)=CNC;WUHIYIUICQYGCU-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384802;MM384802;C#CC#CC(=CC#C)OC;RCSVMEPAPUDHIU-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384803;MM384803;CNC=C(C=O)C(C)=CF;NOQCPLRBJMRKTF-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384804;MM384804;C=CC(C#CCC)=CCC;XDZQKVCRVQFMEG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384805;MM384805;CC=C(F)C(C=O)=CNC;CFCCPHWNXLODOT-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384806;MM384806;C=CC(C#CCN)=CCC;LPKPNNBQTXWOQX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384807;MM384807;COC=C(C#N)C(F)=CF;YCIKCMXTERYDJR-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384808;MM384808;C=CC(C#CCO)=CCC;QBCVZPQHAWZMCL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384809;MM384809;CNC=C(C#N)C(C)=NO;VYRVFWXAOMUPEX-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384810;MM384810;C=CC(C#CCF)=CCC;DDCLTELUMJCDFZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384811;MM384811;CC1(CO)CCC(C=O)C1;JBQVRSCUKMOZHS-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384812;MM384812;C=CC(C#CCC)=CCN;LTIUBPVTPJKQNK-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384813;MM384813;C=C(CC)CCC1(O)CC1;XCGAVFMQFVEGLQ-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384814;MM384814;C=CC(C#CCO)=CCN;DMYMCDCRBYLHRO-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384815;MM384815;CC=C(C)CCC1(O)CC1;FEDWGWJARJSHQG-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384816;MM384816;C=CC(C#CCF)=CCN;BHHVFEHCRZHZLH-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384817;MM384817;CNN=C(C#N)C(F)=CF;BUUCTXJCGOJMRZ-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384818;MM384818;C=CC(C#CCC)=CCO;MRLQPKOPIOSCEI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384819;MM384819;CC=C(F)C(C#N)=NOC;CDEABUHPKZRPHT-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384820;MM384820;C=CC(C#CCN)=CCO;CGSOVZFXJSWJPN-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384821;MM384821;C#CC1(CF)NC1C(C)=O;WBDBMTZJEZTGSD-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384822;MM384822;C=CC(C#CCF)=CCO;HYYYSABYLMCSNZ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384823;MM384823;CON=C(C#N)C(F)=CF;XPSQWJJJSQOVCM-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384824;MM384824;CCC#CC(C#N)=CCC;TZSMIMJNDMIQOV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384825;MM384825;C=CC1(C=O)NC1C(C)=O;RBTXRJRZXXDOHW-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384826;MM384826;CCC=C(C#CCO)C=O;ZFQWTUQBFIUZOY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384827;MM384827;C#CC1(C#N)CC(=O)CN1;VYESUVKGXZTSIX-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384828;MM384828;CCC=C(C#N)C#CCO;ULAHDGSNAUUEJN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384829;MM384829;CC=C(C)C(C#N)=CC#N;ZIRVUBSQJBVPEX-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384830;MM384830;CCC=C(C#CCF)C=O;RMSZFFLLUIYJST-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384831;MM384831;CC(=NO)C(C=O)=CC=O;VHVKUGTWFVDBRB-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384832;MM384832;CCC=C(C#N)C#CCF;WUTXYBVTQGSBBJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384833;MM384833;C=CC(=NN=C)C(C)=CC;JEXHFYVUQOKEFC-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384834;MM384834;CCC#CC(C=O)=CCO;PHUBAPXKZLXWJA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384835;MM384835;C#CC=C(C=C)C(C)=CC;PLSDCQKYVZZEJA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384836;MM384836;CCC#CC(C#N)=CCO;CDXUHPSVTXRRBD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384837;MM384837;C#CC=C(C=O)C(C)=NO;ZTSGMMPTCBDEAD-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384838;MM384838;CCC#CC(C#N)=CNC;GLLKSCNRQYVPFP-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384839;MM384839;C#CC(=CCN)C(F)=CF;FMUYCZGYWTWLNK-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384840;MM384840;CNC=C(C#N)C#CCF;JDXDMLAEXKYDNG-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384841;MM384841;CN(C=O)CCOCC=O;NWQCEDOIIQTRBB-UHFFFAOYSA-N;145.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384842;MM384842;C=CC(C#CCN)=COC;OTHSLMBSRQBLTJ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384843;MM384843;C#CC(=CCN)C(C)=NO;KZKIGMMJXYYWMK-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384844;MM384844;C=CC(C#CCO)=COC;PCGIBXLRSJCJGH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384845;MM384845;C#CC(=COC)C(C)=NO;PBPTWWMGNNIYSF-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384846;MM384846;C=CC(C#CCF)=COC;FOTFILSSWKYQTH-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384847;MM384847;C#CC(=NNC)C(F)=CF;QBPNOKWGKFDQIN-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384848;MM384848;CCC#CC(C=O)=COC;JWNVLFGMBVQTAD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384849;MM384849;C=NN(C)CCOCC=O;YUORAIUHVVYBMP-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384850;MM384850;CCC#CC(C#N)=COC;ZCDPYNDRWKHHFO-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384851;MM384851;C#CC(=CC#N)C(C)=NO;HPYPWGSGOVNIAF-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384852;MM384852;COC=C(C#CCF)C=O;SVBVWPQFUHITMN-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384853;MM384853;C#CC(=NN=C)C(F)=CN;ZRJWPOKRRSLLRP-UHFFFAOYSA-N;139.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384854;MM384854;COC=C(C#N)C#CCF;FUXKJNBKYHSSAL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384855;MM384855;C#CC(=NN=C)C(C)=NO;ZFKOWROTSIMNLM-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384856;MM384856;C=CC(C#CCF)=NNC;QIXDOZYXFHNUHD-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384857;MM384857;C#CC=C(C#C)C(C)=NO;CWSLRJMEFLVZSG-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384858;MM384858;CCC(=NOC=O)NOC;JTNFXHNMMKHFHC-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384859;MM384859;CCCC(CN)=C(C)CO;ICSRTHRUYMLZSI-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384860;MM384860;C#CCOC(=NNC)NN;XCRGDSSNSUBRQJ-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384861;MM384861;CCCC(CO)=C(C)CF;ZADJKDCORVUPGB-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384862;MM384862;CNN=C(C#N)C#CCO;YHTHUNCZWUEUOA-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384863;MM384863;CC(CF)=C(CO)CCF;WBRZYJUIQJQNMR-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384864;MM384864;C=CC(C#CCC)=NOC;SXAZIPLRTPDMTR-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384865;MM384865;CCC(C)=C(CF)CCO;HJJMUKMOPWBNOL-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384866;MM384866;C=CC(C#CCF)=NOC;NHBZTLKPUHJSRA-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384867;MM384867;CCC(C)=C(CF)CCF;OOKLBMNVLFCRHG-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384868;MM384868;CON=C(C#N)C#CCO;FDSYRYINXHXAEC-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384869;MM384869;CC(CO)=C(CF)CCF;WEZHENKKWMRRRK-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384870;MM384870;CON=C(C#CCF)C=O;TZNUYDTVQOBXIK-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384871;MM384871;CC(CF)=C(CF)CCN;IQKRAFSOVVSPEK-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384872;MM384872;CC(CF)=C(CF)CCF;QZVGBIUWNBDZLA-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384873;MM384873;CON=C(C#N)C#CCF;WJSNEOHYKCOLOW-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384874;MM384874;CCC(F)=C(CC)CCN;IEHLDNNTLNSXBL-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384875;MM384875;C=CC#CC(C=C)=CCC;SNVXEGMSGZFWII-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384876;MM384876;CCC(F)=C(CC)CCF;QMUSKTQRZMFBMV-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384877;MM384877;C=CC(C#CC=O)=CCC;DDTXHEAOFOFENW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384878;MM384878;CCC(CCN)=C(F)CN;XADVLKPGTTUQCQ-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384879;MM384879;C=CC(C#CC#N)=CCC;RSDXQJGDJNEOIM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384880;MM384880;CCC(CCN)=C(F)CF;NDRMHIHIZSMGLK-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384881;MM384881;C=CC#CC(C=C)=CCN;JOFLXMGEJZQQGM-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384882;MM384882;CCC(F)=C(CO)CCF;WSPQNRFIUGBCBJ-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384883;MM384883;C=CC#CC(C=C)=CCO;PEVJWFHMIPDJPM-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384884;MM384884;OCC(F)=C(CF)CCF;OHYTZJCNAWLROA-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384885;MM384885;C=CC(C#CC#N)=CCO;MQJLQKBVFGBTAZ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384886;MM384886;CCC(CNC)=C(C)CO;YWXDUEPXUVGXDX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384887;MM384887;C=CC(C#CC#N)=CCF;FIBRDDPOQWMUAM-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384888;MM384888;CCC(CNC)=C(C)CF;UQJUIZKCQCDNFK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384889;MM384889;C=CC#CC(C=O)=CCC;DCAXBWXHFGXKOD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384890;MM384890;CNCC(CN)=C(C)CN;YVCKERKBQHUPQS-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384891;MM384891;C=CC#CC(C#N)=CCC;MFKFIUZQGWTSEV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384892;MM384892;CCC(C)=C(CF)CNC;SERGPTQRIXEYBQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384893;MM384893;CCC=C(C#N)C#CC=O;HZKZNLYPZJNXKH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384894;MM384894;CNCC(CF)=C(C)CF;WPZCEANILFCXAS-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384895;MM384895;C=CC#CC(C#N)=CCO;XMIZLPDDWIILOW-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384896;MM384896;CCC(F)=C(CC)CNC;CGSVXDAUUPSQMX-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384897;MM384897;N#CC#CC(C=O)=CCF;PSPYJNJGURONDX-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384898;MM384898;CCC(CNC)=C(F)CF;RJQUYXPNTGSMNM-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384899;MM384899;C=CC#CC(C=O)=CNC;WIWYKDWDMOGDEN-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384900;MM384900;CCC(F)=C(CN)CNC;CDVVRQXALJWDPH-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384901;MM384901;C=CC#CC(C#N)=CNC;UHDJBDQLEOSNMT-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384902;MM384902;CNCC(CO)=C(F)CO;LKYGMPUCJPYCCX-UHFFFAOYSA-N;149.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384903;MM384903;CNC=C(C#CC#N)C=O;BAJIUWFKPDHCGL-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384904;MM384904;CNCC(CF)=C(F)CF;ALYDZKXNNXEZAP-UHFFFAOYSA-N;153.15;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384905;MM384905;C=CC#CC(C=C)=COC;VYGBMZCTEHUYAZ-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384906;MM384906;COC(CCN)=C(F)CO;SMQVNUDFUORUMP-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384907;MM384907;C=CC(C#CC=O)=COC;KLWARPGGGFPQSA-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384908;MM384908;COC(CCF)=C(F)CO;FQLCLHDUWUQHCE-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384909;MM384909;C=CC#CC(C=O)=COC;AIJXSQCEDKFLBN-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384910;MM384910;COC(C)=C(CCO)OC;BVBNMLSZDIJKTE-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384911;MM384911;C=CC#CC(C#N)=COC;MXBWNSJJJPPBQG-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384912;MM384912;COCC(OC)=C(C)OC;YIQBXAQZMNMPQJ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384913;MM384913;COC=C(C#CC=O)C=O;BDNSUNJUBHYPDJ-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384914;MM384914;CCOC(CN)=C(C)CN;UPFYJWBXMQFODA-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384915;MM384915;COC=C(C#N)C#CC=O;NOXQLFAKJUWJOG-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384916;MM384916;CCOC(CO)=C(C)OC;UNWXQVHLEUNXIR-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384917;MM384917;C=CC#CC(C=C)=NNC;LUBOPNVDLHYIBA-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384918;MM384918;C=CC(=C)C(C=O)NN=C;XIMNFQBSWQZCDJ-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384919;MM384919;C=CC(C#CC#N)=NNC;ISZIPRLFTSKEAB-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384920;MM384920;CCC(CC=O)=C(C)CF;BWEXZIROEZJLLX-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384921;MM384921;CCOCC(C=O)=NNC;IUWXLQBMNXZGLV-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384922;MM384922;C=CCC(CN)=C(C)CO;DKODRWLPXFGUGC-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384923;MM384923;CCNN=C(NC)OC=O;MBORVEKRZLOYJA-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384924;MM384924;C=CCC(CN)=C(C)CF;DGOHDFPEJPHKGM-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384925;MM384925;C=CC#CC(C=C)=NOC;CINSWQRLKKWZAG-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384926;MM384926;CCC(C)=C(CF)CC=O;NOJYFIXDGCRSCY-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384927;MM384927;C=CC(C#CC#N)=NOC;CCKXLBWHCORNAZ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384928;MM384928;CCC(C)=C(CF)CC#N;MQCVIEODGHOTSV-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384929;MM384929;C=CC#CC(C=O)=NOC;QOASJYCCCRYPPN-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384930;MM384930;C=CCC(CF)=C(C)CN;AJZWKPSSIQBOEA-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384931;MM384931;C=CC#CC(C#N)=NOC;ARPCVHNLWBHNIK-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384932;MM384932;CC(CF)=C(CF)CC=O;KIAMNXFGCKCXSN-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384933;MM384933;CON=C(C#CC#N)C=O;CPFAYJWDLYAFDE-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384934;MM384934;CCC(F)=C(CC)CC=O;SFQBROPWSBJCDZ-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384935;MM384935;C#CC#CC(C=C)=CCC;RUNPTVSIMRXTGF-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384936;MM384936;C=CCC(CN)=C(F)CN;MGPFMAKDEADRLV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384937;MM384937;C#CC#CC(C=C)=CCN;DXIAGGXQDKMPCU-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384938;MM384938;CCC(F)=C(CF)CC=O;VKIGKBRWOPDQFG-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384939;MM384939;C#CC#CC(C=C)=CCO;VRLZYFVDCLOANA-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384940;MM384940;COC(C)=C(CO)CC=O;VNTBWPJFULWGJP-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384941;MM384941;C#CC#CC(C=O)=CCC;QYDPACQVFUHVTL-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384942;MM384942;COC(C)=C(CC#N)OC;CWDGPMJXGNIASD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384943;MM384943;C#CC#CC(C#N)=CCC;WVMFZXNIKSYXLH-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384944;MM384944;CCC(NC=N)=C(C)CN;ZXYZLVQOBZNBNA-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384945;MM384945;C#CC#CC(C#N)=CCO;ZWFVXDQOINGHTR-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384946;MM384946;CCC(NC=O)=C(C)CN;GSVUEJGGIHWFJU-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384947;MM384947;CCC(NC=O)=C(C)CF;KBGXALLZVUJGQY-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384948;MM384948;C#CC#CC(C=O)=CNC;VGYDSAVYTVDWOH-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384949;MM384949;CC(CO)=C(CO)NC=N;QEJIGCKWDSCJEJ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384950;MM384950;C#CC#CC(C#N)=CNC;TUVGTLBNSZLQDB-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384951;MM384951;CC(CO)=C(CO)NC=O;VAHRSJFEUKDKPR-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384952;MM384952;C#CC#CC(C=O)=COC;BEASFZNKJUFOPI-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384953;MM384953;CCC(NC=N)=C(F)CN;QYAIPOBKWQTSEI-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384954;MM384954;C#CC#CC(C#N)=COC;FSBRYFYZVQCFCR-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384955;MM384955;N=CNC(CO)=C(F)CN;ZCRQRWFGDIKTEA-UHFFFAOYSA-N;147.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384956;MM384956;C#CC#CC(C=C)=NNC;YEPJKVCUUSJRKE-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384957;MM384957;N=CNC(CO)=C(F)CO;DFGZFWAYMCZWRE-UHFFFAOYSA-N;148.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384958;MM384958;C#CC#CC(C=C)=NOC;RLWXICXLKSSEDH-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384959;MM384959;N=CNC(CO)=C(F)CF;IFYPRTITPZVBLC-UHFFFAOYSA-N;150.13;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384960;MM384960;C#CC#CC(C#N)=NOC;MIRJTBHNOICOFP-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384961;MM384961;COC(C)=C(CO)NC=O;ZBVHYGSBEFLJIX-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384962;MM384962;C=CC=C(C#CCC)C=C;UDFDFDLDBHWAQR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384963;MM384963;COC(NC=N)=C(C)CF;RXFDEUSZNXCEHI-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384964;MM384964;C=CC=C(C#CCN)C=C;FHWQGMMFMMLGJD-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384965;MM384965;COC(NC=O)=C(F)CO;IYMOQFQXTMWJAY-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384966;MM384966;C=CC=C(C#CCO)C=C;AOCOHBBZFKZXFH-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384967;MM384967;COC(C)=C(NC=O)OC;LUEKCPFMFHZUDW-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384968;MM384968;C=CC=C(C#CCF)C=C;OTAFVZDDFVAYAT-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384969;MM384969;CCC(OC=O)=C(C)CF;ORZKAPAWLZHRSB-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384970;MM384970;C=CC(C#CCC)=CC=O;NAZCCEZOXNZIKM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384971;MM384971;CC(CF)=C(CF)OC=O;GCBCLMBQMHINFN-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384972;MM384972;C=CC(C#CCC)=CC#N;VFSHWDWRCJHWCR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384973;MM384973;C=COC(CN)=C(F)CN;HNZPHCWMZJLSLS-UHFFFAOYSA-N;146.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384974;MM384974;C=CC(C#CCO)=CC#N;HAILAFXBOVYOOT-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384975;MM384975;C=COC(CN)=C(F)CO;FGPDQUVDMZVQLJ-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384976;MM384976;C=CC(C#CCF)=CC=O;LQUANIFYKRFWDU-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384977;MM384977;O=COC(CO)=C(F)CO;JSHIWNFNSZCJLF-UHFFFAOYSA-N;150.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384978;MM384978;C=CC(C#CCF)=CC#N;KVEXCNXDCXXOGE-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384979;MM384979;C=COC(CO)=C(F)CF;CRGGODYJGIETDI-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384980;MM384980;C=CC=C(C#CCC)C=O;VYRRMDKHOKLKCR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384981;MM384981;C=COC(CF)=C(F)CO;VIFMAULMNOPKRT-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384982;MM384982;C=CC=C(C#N)C#CCC;FTMTUQVFEOZZMH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384983;MM384983;C=COC(CO)=C(C)OC;MBAISOLNXPVZAX-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384984;MM384984;C=CC=C(C#N)C#CCO;YQURLKGDNLEEMD-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384985;MM384985;C#CCC(CN)=C(C)CF;KPTLDBSXWBDEBJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384986;MM384986;C=CC=C(C#CCF)C=O;GRXNJJBXQIJWMV-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384987;MM384987;C=CC=C(C#N)C#CCF;GUULEUQGIODDGE-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384988;MM384988;C#CCC(CO)=C(C)CO;YPQPYLATVMNXHV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384989;MM384989;C#CCC(CF)=C(C)CN;KZAYAVWWUPZQRM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384990;MM384990;CCC#CC(C=O)=CC=O;XAXAPIAKRGZRSA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384991;MM384991;C#CCC(CF)=C(C)CF;QDELIBTWXPZJCG-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384992;MM384992;CCC#CC(C=O)=CC#N;STGVDDTVOKKMSN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384993;MM384993;C#CCC(CN)=C(F)CO;SDHFYOYWWWFGCU-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384994;MM384994;CCC#CC(C#N)=CC#N;PVMUAMYBJIKAPP-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384995;MM384995;C#CCC(CO)=C(C)OC;GTBVMDIHWOFQRQ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384996;MM384996;O=CC=C(C#CCF)C=O;RYUVLJQXRGVBAX-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384997;MM384997;C#CC(=NOC)C(F)C=C;XTPXJDVFMYPOJK-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384998;MM384998;N#CC(C#CCF)=CC=O;ZJFKASHAAPEIMP-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM384999;MM384999;C=CC(F)=C(CC)CCN;SIWLBOCXWIGRIG-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385000;MM385000;N#CC=C(C#CCF)C=O;HGUWJSFCBZFHAH-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385001;MM385001;C=CC(F)=C(CO)CCO;XWOUOUNUGZKRKP-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385002;MM385002;C=CC(C#CCC)=NN=C;GIVOWSGSOOPSCR-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385003;MM385003;N#CC(F)=C(CF)CCO;CEFOKZNFPBOWBZ-UHFFFAOYSA-N;147.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385004;MM385004;C=NN=C(C#CCC)C=O;OLONSFBCXVZDSN-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385005;MM385005;C=CC(C)=C(CC)CNC;JAIHASNDKPHFTR-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385006;MM385006;C=NN=C(C#N)C#CCC;LIPXXOOGOPMEEU-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385007;MM385007;CCC(CNC)=C(C)C#N;QVYZMIWEMGDVQC-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385008;MM385008;C=NN=C(C#N)C#CCO;SWCQOXUBIMOOOB-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385009;MM385009;C=CC(C)=C(CF)CNC;VTFNJGXYPIUPMD-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385010;MM385010;C=NN=C(C#CCF)C=O;XJTYRNKWERPUPH-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385011;MM385011;C=CC(F)=C(CC)CNC;PLCQUAIZTHLEKY-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385012;MM385012;C=NN=C(C#N)C#CCF;PZKARMRHISTYTH-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385013;MM385013;CCCC(NC)=C(C)C=O;WTIGUFZNRVVRRU-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385014;MM385014;C=CC#CC(C=C)=CC=C;CAZIAFAULIMUKN-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385015;MM385015;CNC(CCO)=C(F)C=O;RMIKQMRTOUQLOJ-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385016;MM385016;C=CC=C(C#CC=O)C=C;KBNWMQWOAYVCJX-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385017;MM385017;C=CC(C)=C(CCO)OC;BMJRDESRUJLVPF-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385018;MM385018;C=CC=C(C#CC#N)C=C;HZWIHHZCYFLTAX-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385019;MM385019;COCC(OC)=C(C)C#N;WKMJIISZAUXKOF-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385020;MM385020;C=CC#CC(C=C)=CC#N;QPHYBNZUEPVTRA-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385021;MM385021;COCC(OC)=C(F)C#N;RVOVGYJNWDCVSD-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385022;MM385022;C=CC(C#CC=O)=CC=O;RJRZYUABWXLWQN-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385023;MM385023;CCNC(CO)=C(F)C=O;YIGRUWPUMABKID-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385024;MM385024;C=CC(C#CC=O)=CC#N;NHMLODIWUKJMDA-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385025;MM385025;CCNC(CO)=C(F)C#N;PSLXTHVGNJQMBT-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385026;MM385026;C=CC(C#CC#N)=CC=O;IJSAPOCOPCZDEE-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385027;MM385027;CCNC(NC)=C(C)C=O;WNHJEKKWRFFUJD-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385028;MM385028;C=CC(C#CC#N)=CC#N;UOVRSENOJSFCSH-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385029;MM385029;CCOC(CO)=C(C)C#N;ROKAYGSZOSMSCG-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385030;MM385030;C=CC#CC(C=O)=CC=C;VRRBXQYEBLDDDM-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385031;MM385031;CCOC(CO)=C(F)C#N;MLJQQTPZVVJOOO-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385032;MM385032;C=CC#CC(C#N)=CC=C;SFUUTRDNVPRPBQ-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385033;MM385033;CCOC(NC)=C(C)C=O;BDKIMEBICRLHNT-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385034;MM385034;C=CC=C(C#N)C#CC=O;GKIYFLMQMKLRIH-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385035;MM385035;CCOC(NC)=C(F)C=O;DIFWTCOKIWAZFL-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385036;MM385036;C=CC=C(C#CC#N)C=O;NIPSODVERMWMDT-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385037;MM385037;CCOC(NC)=C(F)C#N;UBKFDNKKCLDMSO-UHFFFAOYSA-N;144.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385038;MM385038;C=CC#CC(C=O)=CC=O;NAFFIIKGCSCMNL-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385039;MM385039;CCC(CC=O)=C(C)C#N;HFSDPRZGBTUSLU-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385040;MM385040;C=CC#CC(C#N)=CC=O;TWUQNANCWORZPD-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385041;MM385041;C=CC(C)=C(CO)CC#N;GSOVNSUSAJFOJV-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385042;MM385042;C=CC#CC(C=O)=CC#N;SYIBAQUFZDVXLG-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385043;MM385043;CC(C#N)=C(CO)CC#N;BVAMUHQVDXJVRI-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385044;MM385044;C=CC#CC(C#N)=CC#N;PMVFKWPKEQZLSB-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385045;MM385045;C=CC(C)=C(CF)CC=O;HSTKMWAIGWVEGR-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385046;MM385046;N#CC=C(C#CC=O)C=O;GNRZGGACLGWJJR-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385047;MM385047;CC(C#N)=C(CF)CC=O;MZEQVJJYTZFRKY-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385048;MM385048;N#CC(C#CC=O)=CC=O;LFTQXXGBLWFVLU-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385049;MM385049;N#CCC(CF)=C(F)C=O;ULFYWVOYAAMABJ-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385050;MM385050;N#CC#CC(C=O)=CC=O;SGBOVNWRKCJPOE-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385051;MM385051;COC(CC=O)=C(C)C#N;VFPGPTJZCWMTPU-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385052;MM385052;COC(CC#N)=C(F)C#N;NJVUSKRMEPVLLX-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385053;MM385053;C=CC#CC(C=C)=NN=C;NHYKVERDNYRKKG-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385054;MM385054;CCC(NC=O)=C(C)C=O;JKXAMSKTLAMVNJ-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385055;MM385055;C=CC(C#CC=O)=NN=C;KWXDJVSUVYGOKZ-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385056;MM385056;C=CC(C)=C(CN)NC=O;ZWCGKVKGSYDDRH-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385057;MM385057;C=CC(C#CC#N)=NN=C;BZGVIWHCLWBIJU-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385058;MM385058;CC(C#N)=C(CO)NC=N;XQDWKZRSAMVZLZ-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385059;MM385059;C=CC#CC(C=O)=NN=C;WWUBIXSXZXAEIH-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385060;MM385060;CC(C#N)=C(CO)NC=O;JJZCFXWSNVYARN-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385061;MM385061;C=CC#CC(C#N)=NN=C;KTWPITDOLFCLOJ-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385062;MM385062;CC(C=O)=C(CF)NC=O;MDJQFWRPJNLTTR-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385063;MM385063;C=NN=C(C#CC=O)C=O;HPHJVFKMELBCJM-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385064;MM385064;C=NOCC(=NNC)NN;JXXASIBWJKRXMG-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385065;MM385065;C=NN=C(C#N)C#CC=O;YMIHQFOOMKPYHS-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385066;MM385066;CNC(NC=N)=C(C)C#N;PZWGIRSQXXLJHW-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385067;MM385067;C=NN=C(C#CC#N)C=O;BWCWWGSGGTWYON-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385068;MM385068;CC=NN=C(COC)NN;OCXMBAYTWVXPPU-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385069;MM385069;C=NN=C(C#N)C#CC#N;XYOGJAZPNOEDIV-UHFFFAOYSA-N;130.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385070;MM385070;C=CC(C)=C(NC=N)OC;NHWCZNVCAMMOJN-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385071;MM385071;C#CC#CC(C=C)=CC=C;ALSBGFLKZCLXOV-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385072;MM385072;COC(N=CN)=C(C)C=O;FGBNREWMMISWEJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385073;MM385073;C#CC#CC(C=C)=CC=O;PUZVUEIIKZBAOO-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385074;MM385074;COC(NC=O)=C(C)C=O;MIOGMCZCJQIRLL-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385075;MM385075;C#CC#CC(C=C)=CC#N;RAIDHIAGKMTENT-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385076;MM385076;COC(NC=O)=C(C)C#N;VRFQUPYODXASCX-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385077;MM385077;C#CC#CC(C=O)=CC=C;MGHQLOCGJRCDGJ-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385078;MM385078;C=CC(CF)NN=CC=O;KHPBWCWSGCQVMV-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385079;MM385079;C#CC#CC(C#N)=CC=C;FGNXRCRXYZYVRN-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385080;MM385080;COC(=NN)N(C)C=NN;JWEHVHXUPYPMIT-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385081;MM385081;C#CC#CC(C=O)=CC=O;STDUKNOADQQJEK-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385082;MM385082;C=NN=C(C)C(C=O)CF;CJXRICGSSFCQET-UHFFFAOYSA-N;144.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385083;MM385083;C#CC#CC(C=O)=CC#N;XSKRLPDSODTYKH-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385084;MM385084;C=CC(C)=C(CN)OC=O;YQROFSXXXOBJIW-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385085;MM385085;C#CC#CC(C#N)=CC=O;SEJVFBLUHVFKAW-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385086;MM385086;C=COC(CO)=C(C)C#N;XYNBSLVDCCUVHC-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385087;MM385087;C#CC#CC(C#N)=CC#N;LSKSZEGUZUEIAS-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385088;MM385088;C=COC(CF)=C(C)C#N;ZOOUMRGWHNPANC-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385089;MM385089;C#CC#CC(C=C)=NN=C;JDGLDXYPBZWQBR-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385090;MM385090;C=COC(CO)=C(F)C#N;PYIXQTBHUMXHDL-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385091;MM385091;C#CC#CC(C=O)=NN=C;BZISYAXWQRXVMC-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385092;MM385092;C=COC(NC)=C(C)C#N;RKZYUDLJEFEXNJ-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385093;MM385093;C#CC#CC(C#N)=NN=C;FBPYKZBQGPYSDE-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385094;MM385094;C=COC(NC)=C(F)C=O;VPSQOTCNEWHMCA-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385095;MM385095;C#CC=C(C#CCC)C=C;VNBSQMUKTMBLDN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385096;MM385096;C=COC(NC)=C(F)C#N;GADMAGZIUMUGQU-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385097;MM385097;C#CC=C(C#CCN)C=C;NROCGBATGMLVOU-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385098;MM385098;C#CCC(CO)=C(C)C#N;NALISPDUMUJDBD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385099;MM385099;C#CC=C(C#CCO)C=C;YONCJFMZHOBTJU-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385100;MM385100;C#CCC(CF)=C(C)C=O;WLNKBVLJSUQCKK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385101;MM385101;C#CC=C(C#CCF)C=C;OWYUQUWTASAFAP-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385102;MM385102;C#CC(C)=C(CN)CCN;BLRMQHWRARXPLH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385103;MM385103;C#CC=C(C#CCC)C=O;XIYJLCRKEZJUIX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385104;MM385104;C#CC(C)=C(CO)CCN;UEJJILQBOIYLKB-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385105;MM385105;C#CC=C(C#N)C#CCC;BPCSWADRNVSIIE-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385106;MM385106;C#CC(C)=C(CF)CCO;HHUVATMSLCIFIS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385107;MM385107;C#CC=C(C#CCF)C=O;PHNONSNWRMUMMS-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385108;MM385108;C#CC(C)=C(CF)CCF;RSORCEZJPGQHII-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385109;MM385109;C#CC=C(C#N)C#CCF;TWICMPGSPRPSDQ-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385110;MM385110;C#CC(F)=C(CC)CCO;CLFFPYPGIBZQQX-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385111;MM385111;C#CC=C(C#CC=C)C=C;ANPJRGMPWQMCIX-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385112;MM385112;C#CC(F)=C(CF)CCN;PCNCOGJQKRNESJ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385113;MM385113;C#CC=C(C#CC=O)C=C;AHJMUPMMKCYCLE-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385114;MM385114;C#CC(F)=C(CCO)OC;KCGFTMMQAGYDCD-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385115;MM385115;C#CC=C(C#CC#N)C=C;JHQSJCIVBCXORC-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385116;MM385116;C#CC(C)=C(COC)OC;ARIXGARSSGNJAH-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385117;MM385117;C#CC=C(C#CC=C)C=O;LPIOMSVFYYLOKB-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385118;MM385118;C#CC(F)=C(COC)OC;RAEZHYGJDRUIJK-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385119;MM385119;C#CC=C(C#N)C#CC=C;LHWCRRZGEQNEQL-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385120;MM385120;C#CC(F)=C(CN)OCC;KFEJDQHJZMISMU-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385121;MM385121;C#CC=C(C#CC#N)C=O;SHTWXWXPRJIQFR-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385122;MM385122;C#CC(F)=C(CO)OCC;DXJJYBHPCPUTKT-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385123;MM385123;C#CC=C(C#N)C#CC=O;NZCFZQDPNPXQGN-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385124;MM385124;C#CC(C)=C(CO)CC=O;ZXISGIGURCDTRZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385125;MM385125;C#CC=C(C#N)C#CC#N;OWTTUMOHDKWJEE-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385126;MM385126;C#CC(C)=C(CC#N)OC;NCBPZLFBSRVBOU-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385127;MM385127;C#CC#CC(C=C)=CC#C;DTRIRDXQKFUETO-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385128;MM385128;C#CC(F)=C(CC#N)OC;AAUUIJSPEGOHKP-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385129;MM385129;C#CC#CC(C=O)=CC#C;BCHMPXUIXVKMAN-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385130;MM385130;C#CC(C)=C(CF)NC=N;NDLKXRSWFSQASC-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385131;MM385131;C#CC#CC(C#N)=CC#C;LOACVIHBQWEODS-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385132;MM385132;C#CC(C)=C(CF)NC=O;BETBZJQQRQLGJO-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385133;MM385133;C#CC(C#CCC)=CCC;DBOZRYROPYKFAW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385134;MM385134;C#CC(C)=C(NC=O)OC;KFBZCCOJGUCPHH-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385135;MM385135;C#CC(C#CCN)=CCC;ITXFYEBSPHLJIG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385136;MM385136;C#CC(C)=C(CO)OC=C;JIVJVYAWYUIYSJ-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385137;MM385137;C#CC(C#CCO)=CCC;KRAZNOYRRZZWBV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385138;MM385138;O=CCOCC1(CF)CN1;QTBYZSPQBMOGLT-UHFFFAOYSA-N;147.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385139;MM385139;C#CC(C#CCF)=CCC;JEFULLHVNLLSLJ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385140;MM385140;C#CCC(OC)=C(C)C#C;KMVXYAFBZAMKPB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385141;MM385141;C#CC(C#CCC)=CCN;OLUICSRUBZMVGP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385142;MM385142;C=CC(CCF)=C(C)CN;GXYOYZXSEDLMKD-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385143;MM385143;C#CC(C#CCF)=CCN;DJXZPSGSECHALE-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385144;MM385144;C=CC(CCF)=C(C)CF;VVOHPLLWEVWAKB-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385145;MM385145;C#CC(C#CCF)=CCO;OJVXUOJZLVVHAH-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385146;MM385146;CCC(C)=C(C=O)CCO;PESBKCFVGLKRSA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385147;MM385147;C#CC(C#CCC)=COC;FOSJLNFSTISMLI-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385148;MM385148;CCCC(C=O)=C(C)CO;QXRSGCNSJMCFMU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385149;MM385149;C#CC(C#CCN)=COC;OPKGSEIXVLMLDM-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385150;MM385150;CCCC(C=O)=C(N)CC;HFVURYRBLOEUPT-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385151;MM385151;C#CC(C#CCO)=COC;PDMBXGFALQWSOX-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385152;MM385152;CCCC(C=O)=C(N)CF;DMHLHPXASIBGHA-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385153;MM385153;C#CC(C#CCF)=COC;GLRFLNXQCZNJTC-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385154;MM385154;O=CCOCC1(C=O)CN1;VDHSJMHWVCWOSJ-UHFFFAOYSA-N;143.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385155;MM385155;C#CC(C#CCC)=NNC;UXTZECJTKCHSGH-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385156;MM385156;C=CC(CCN)=C(F)CC;MGGSPVACEWNJBQ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385157;MM385157;C#CC(C#CCC)=NOC;HGCAZAAKJTXTCE-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385158;MM385158;C=CC(CCN)=C(F)CN;JGONTXXQJWIGKC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385159;MM385159;C#CC(C#CCF)=NOC;WTBLIROKAWQHMG-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385160;MM385160;O=CC(CCF)=C(F)CF;BFICGCUYLYYDBE-UHFFFAOYSA-N;152.12;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385161;MM385161;C#CC(C#CC=C)=CCC;JYMHGNJBBFAHOG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385162;MM385162;C=CC(CNC)=C(C)CC;FOZAGKQIACWMGJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385163;MM385163;C#CC(C#CC=O)=CCC;XGASPYHUHOWJMZ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385164;MM385164;C=CC(CNC)=C(F)CN;CKHRIQUPTJHINH-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385165;MM385165;C#CC(C#CC#N)=CCC;RAEZSQSFQXIZEN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385166;MM385166;CNCC(C=O)=C(F)CF;IIRQWNBTEWEMGX-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385167;MM385167;C#CC(C#CC=C)=CCN;GVGYLBIRJMQNKI-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385168;MM385168;C#CC1CC2CC2(CO)C1;YWLKHXWJQKONFH-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385169;MM385169;C#CC(C#CC=C)=CCO;KSTPWVICULDPGU-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385170;MM385170;CCCC(C=O)=C(C)NC;MUQCCBMKYVQVMV-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385171;MM385171;C#CC(C#CC#N)=CCO;UPHZJVWOFOQCPU-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385172;MM385172;C#CC1=C(C)C2(O)CC1C2;WGTWIXFIAFXIHS-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385173;MM385173;C#CC(C#CC#N)=CCF;NKRRYEAKLYFUOT-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385174;MM385174;CNCC(C=O)=C(C)NC;JDDOEENQUOPKDP-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385175;MM385175;C#CC(C#CC=C)=COC;MGSDNFPERUQJSE-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385176;MM385176;CNC(N)=C(C=O)COC;JLKNBKJUZSIXRZ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385177;MM385177;COCC(C#N)=C(C)OC;DAZRFTZLJWKTPC-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385178;MM385178;C#CC(C#CC=O)=COC;NJACILXIQNYCCM-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385179;MM385179;CCOC(C#N)=C(C)CO;ODHGLFKVAZYAES-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385180;MM385180;C#CC(C#CC#N)=COC;PFVHPJHJPLRHBD-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385181;MM385181;CCOC(C#N)=C(N)CC;JHDYUUQROGLHNI-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385182;MM385182;C#CC(C#CC=C)=NNC;IJSJUSGVPQZIGI-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385183;MM385183;CCOC(C=O)=C(N)CO;YFXKMXMCQNKOFL-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385184;MM385184;C#CC(C#CC=C)=NOC;JFATVUYAKLUUMC-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385185;MM385185;CC#CC1CC(CC)C1O;LSSQUDDIPXDFNJ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385186;MM385186;C#CC(C#CC=O)=NOC;ZISSMVMXIBBLFS-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385187;MM385187;CCOC(C#N)=C(F)CO;DLPWNYIFZGQPRL-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385188;MM385188;C#CC(C#CC#N)=NOC;GIIOKTVORCKYPO-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385189;MM385189;CCOC(C=O)=C(C)NC;NSHGRGVAUSXLML-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385190;MM385190;C#CC#CC(C#C)=CCC;GIRJUQPJLHEAGH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385191;MM385191;CCOC(C=O)=C(N)NC;DEDYYGDDWDOCMU-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385192;MM385192;C#CC#CC(C#C)=CCN;UGECRTHTVPTPPF-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385193;MM385193;CCOC(C=O)=C(C)OC;XKUUQQUMZRWOPM-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385194;MM385194;C#CC#CC(C#C)=CCO;PERGUGXTBVQCIR-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385195;MM385195;CCOC(C#N)=C(C)OC;NWMWDQVCOBPFSU-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385196;MM385196;C#CC#CC(C#C)=COC;JFGKQJNBAVVQQE-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385197;MM385197;CCC(C)=C(C#N)CC=O;JKDQGOIPUSXBNM-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385198;MM385198;C#CC#CC(C#C)=NOC;FYJJVBIYJJXCDB-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385199;MM385199;CC(CO)=C(C#N)CC#N;UKEWWWQTIHISJX-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385200;MM385200;C#CC(C#CCC)=CC=C;LILLTCJJBIRAKL-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385201;MM385201;C=CCC(C=O)=C(C)CF;OSEDPURGULIANV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385202;MM385202;C#CC(C#CCN)=CC=C;RGTASXQOCHXMGL-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385203;MM385203;CC(CF)=C(C#N)CC=O;RYGMQTREVQXNNI-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385204;MM385204;C#CC(C#CCO)=CC=C;KUAHWHADQXAZHP-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385205;MM385205;CC1C(C=O)CCC1CO;SGGAUEDBDODXQH-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385206;MM385206;C#CC(C#CCF)=CC=C;YPRMTMREMOATBV-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385207;MM385207;C=CC(CC=O)=C(F)CC;PCOVADSICYQHRW-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385208;MM385208;C#CC(C#CCC)=CC=O;YVLFXPVHWBGKFG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385209;MM385209;C=CCC(C=O)=C(F)CC;ZYRXWJPZKIXBNN-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385210;MM385210;C#CC(C#CCC)=CC#N;XMVNJDKFAJFARG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385211;MM385211;CCC(F)=C(C=O)CC=O;SLMRYTOTRNSYNJ-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385212;MM385212;C#CC(C#CCO)=CC#N;XDMDXTXOSGBMSC-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385213;MM385213;CCC(F)=C(C#N)CC=O;VJTNKVDVRNCEGK-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385214;MM385214;C#CC(C#CCF)=CC=O;OSTJQCOCIFPLLE-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385215;MM385215;CNC(C)=C(C#N)CC#N;GUVFTDNIVURDKB-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385216;MM385216;C#CC(C#CCF)=CC#N;YJLPSNPUURCCNX-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385217;MM385217;CNC(N)=C(C=O)CC#N;ILAXQLPFBPGRDN-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385218;MM385218;C#CC(C#CCC)=NN=C;BPHHPFANZPIEEC-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385219;MM385219;CNC(N)=C(C#N)CC#N;ATDFFRYCBKHOQX-UHFFFAOYSA-N;136.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385220;MM385220;C#CC(C#CCN)=NN=C;LZIMXOGILHZTRO-UHFFFAOYSA-N;133.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385221;MM385221;COC(N)=C(C=O)CC=O;RCPYPQFRWIUKLB-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385222;MM385222;C#CC(C#CCO)=NN=C;GTEGQNUXBFQEOC-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385223;MM385223;C=CC(NC=O)=C(C)CO;VKCTYMFIJBXXDU-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385224;MM385224;C#CC(C#CCF)=NN=C;DZNXWQIDYREZQW-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385225;MM385225;CC(CO)=C(C#N)NC=O;DTPZBGVQOTVJKH-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385226;MM385226;CCC(N)=C(C=O)N=CN;NSWGODMOXXJPMM-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385227;MM385227;C#CC(C#CC=C)=CC=C;MUPSPVXPEILUOE-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385228;MM385228;CCC(N)=C(C#N)NC=O;QMHOJSYGNOSAGJ-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385229;MM385229;C#CC(C#CC=O)=CC=C;JOMKUUUQBGTZGF-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385230;MM385230;NC(CO)=C(C=O)NC=O;PIENDLSTBZOCCD-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385231;MM385231;C#CC(C#CC#N)=CC=C;ZPWMYFIYUFMYHW-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385232;MM385232;N#CC(NC=O)=C(N)CF;XOCKRMNWWGENOL-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385233;MM385233;C#CC(C#CC=C)=CC=O;JATJHZDANCVFTD-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385234;MM385234;N#CC(NC=O)=C(F)CF;JIFKUJNQVBFIPW-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385235;MM385235;C#CC(C#CC=C)=CC#N;OMGPWRPIKXQYFS-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385236;MM385236;CNC(C)=C(C=O)NC=O;UQMJKFVOJDXZTK-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385237;MM385237;C#CC(C#CC=O)=CC=O;VAILLRASRSYKMQ-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385238;MM385238;CNC(C)=C(C#N)NC=O;IYRGADPLRBEIHV-UHFFFAOYSA-N;139.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385239;MM385239;C#CC(C#CC=O)=CC#N;GMTUFHAEMAXJLQ-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385240;MM385240;C=CC(NC=N)=C(C)OC;IYKOXKLNGIYRGP-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385241;MM385241;C#CC(C#CC#N)=CC=O;YVOBIJKTJAJBLV-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385242;MM385242;COC(C)=C(C#N)NC=O;NPZCKCYPFCSEMA-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385243;MM385243;C#CC(C#CC#N)=CC#N;JXCKTPLHUHPBBQ-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385244;MM385244;C=COC(C#N)=C(C)CO;ONUFHJLZNWVOGT-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385245;MM385245;C#CC(C#CC=C)=NN=C;NQMREMKKJZHVDL-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385246;MM385246;C=COC(C=O)=C(N)CC;PJFZIQKKAIBXHP-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385247;MM385247;C#CC(C#CC=O)=NN=C;CKLWXNMPCQWRSO-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385248;MM385248;C=COC(C#N)=C(N)CC;CSLNBWNWUMKALF-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385249;MM385249;C#CC(C#CC#N)=NN=C;XJRIVCGEGXXJRA-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385250;MM385250;C=COC(C=O)=C(N)CO;UKFCDOZWLGVFMJ-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385251;MM385251;C#CC#CC(C#C)=CC=C;SNFPQMJPVYYDGR-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385252;MM385252;N#CC(OC=O)=C(N)CO;XTOWQZFINFZZMA-UHFFFAOYSA-N;142.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385253;MM385253;C#CC#CC(C#C)=CC=O;RIEIXDBDLKFCMO-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385254;MM385254;C=COC(C#N)=C(N)CF;JHMNSSXGBCLKKN-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385255;MM385255;C#CC#CC(C#C)=CC#N;VZGZHBSVWOQNBW-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385256;MM385256;C=COC(C#N)=C(F)CF;LPFCTHCLDOBJBA-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385257;MM385257;C#CC#CC(C#C)=NN=C;VYBALVJTRMSGAG-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385258;MM385258;C=COC(C#N)=C(C)NC;ZODXZDFYGAATIQ-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385259;MM385259;C#CC=C(C#C)C#CCC;JNMWJJSFHDWDJO-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385260;MM385260;CNC(C)=C(C#N)OC=O;CUWQWUMHWQPIQQ-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385261;MM385261;C#CC=C(C#C)C#CCN;CXHWSXHPEDZDPZ-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385262;MM385262;C=COC(C=O)=C(N)NC;FOHDJLQAOYZNRN-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385263;MM385263;C#CC=C(C#C)C#CCO;AOPWEDMFPDABBO-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385264;MM385264;C=COC(C#N)=C(C)OC;XGKWFDHRCXOGMP-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385265;MM385265;C#CC=C(C#C)C#CCF;UAMODLQMPWBDIX-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385266;MM385266;C#CCC(C=O)=C(C)CF;BXQPVSOPUSAGAG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385267;MM385267;C#CC=C(C#C)C#CC=C;NKFRVBMIRTYRSK-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385268;MM385268;C#Cc1noc(C=C)c1N;SGRQGDZQUNLQRO-UHFFFAOYSA-N;134.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385269;MM385269;C#CC=C(C#C)C#CC=O;XNMQYCLNLBDHMH-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385270;MM385270;C#CCC(C=O)=C(F)CO;KZLDHLJBLSXIDY-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385271;MM385271;C#CC=C(C#C)C#CC#N;BYBYCVOZIFQRQN-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385272;MM385272;C=CC(CCF)=C(C)C=O;YEKZNSJEHQDZLW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385273;MM385273;C#CC#CC(C#C)=CC#C;QEKHZBNXWQOUBG-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385274;MM385274;C=CC(CCF)=C(C)C#N;ILMQMHKGHOAUPD-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385275;MM385275;CC(C=O)=C(C=O)CCF;WPZPMDQMVXDBMS-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385276;MM385276;CCC(=CCCN)CCN;HCCSRUYVUAIDEE-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385277;MM385277;CC1CN1CCOCC=O;DHHFGRNUJUEHFT-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385278;MM385278;CCCC=C(CN)CCC;YPKZCVYQDLSQGJ-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385279;MM385279;N#CC(N)=C(C=O)CCO;BSWLJPUZYRYIOT-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385280;MM385280;CCCC(=CCCN)CN;SGSUHLWYFPOXGQ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385281;MM385281;N#CC(CCO)=C(N)C=O;CHAUGIMUCWILJX-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385282;MM385282;NCCC(=CCCF)CN;WNBWVDOFZKKTJB-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385283;MM385283;N#CC(N)=C(C#N)CCO;KBUIUMKUZYLOAA-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385284;MM385284;NCC(=CCCF)CCO;WCUGQIFOSPMCHV-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385285;MM385285;N#CC(N)=C(C=O)CCF;WNKBFSHOQWBIIS-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385286;MM385286;CCCC=C(CN)CCF;RQAFSUSAJQRYGZ-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385287;MM385287;N#CC(CCF)=C(N)C=O;SCJGEFUHINRXQV-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385288;MM385288;NCC(=CCCF)CCF;KAHLCZMTNLRKSH-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385289;MM385289;C=CC(F)=C(C=O)CCO;QDFZSPAYRKMECF-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385290;MM385290;NCCC(=CCCF)CO;LCMWSDUOGHTYGP-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385291;MM385291;N#CC(F)=C(C=O)CCO;WQNBNTVSLVOQIE-UHFFFAOYSA-N;143.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385292;MM385292;NCCC=C(CO)CCO;MRQIXTZTQUJQLW-UHFFFAOYSA-N;145.2;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385293;MM385293;N#CC(F)=C(C#N)CCO;YREGCCSLGITPCB-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385294;MM385294;OCCC=C(CO)CCO;FYAVUSPKQHJJIF-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385295;MM385295;C=CC(CNC)=C(C)C#N;UEUDOADSPWTHFG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385296;MM385296;NCCC=C(CF)CCN;DEVADPGGVBIALJ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385297;MM385297;CCC(CO)C1CC1C=O;ZHIZZMDKQZLFOQ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385298;MM385298;NCCC(=CCCF)CF;YZZJLSXVWLQVHQ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385299;MM385299;C=CC(F)=C(C=C)CNC;LXXUZBZFFUMADP-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385300;MM385300;NCCC=C(CF)CCF;BALLSEDZGWPRRA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385301;MM385301;C=CC(CNC)=C(F)C=O;PMNPYUMUYKYWFY-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385302;MM385302;OCCC=C(CF)CCF;RSSPGDVBVLFAOP-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385303;MM385303;CNCC(C#N)=C(F)C#N;GARMTKGOGWIFPK-UHFFFAOYSA-N;139.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385304;MM385304;CCC(=CCNC)CCN;PVGNMHNSZPHHAM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385305;MM385305;C=CC(N)=C(C#N)COC;GAHSMDPEYOWYLO-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385306;MM385306;CCC(=CCNC)CCF;FPSMHWLUCWLYRW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385307;MM385307;COCC(C#N)=C(F)C#N;URSHBBHJPFKDMC-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385308;MM385308;CCCC(=CCNC)CN;VDSADZWTZUWCOI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385309;MM385309;CCNC(C=O)=C(F)C=O;OXVRZKNHDMABLT-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385310;MM385310;CCNC(C=O)=C(F)C#N;FZJQJOUDUMVCGG-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385311;MM385311;CNCC=C(CO)CCF;QYOGRAACTSWMTF-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385312;MM385312;CNCC=C(CF)CCN;BAYOUOKYKQPEBA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385313;MM385313;CCOC(C=O)=C(C)C=O;SSRGYKGRSCUTCW-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385314;MM385314;CNCC=C(CF)CCF;ADHPBIIUUDYLSA-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385315;MM385315;CCOC(C=O)=C(C)C#N;CHZIURDTPDNZQU-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385316;MM385316;CCC(=CCOC)CCN;XJRMAVFOHOKTOY-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385317;MM385317;C=CC(N)=C(C#N)OCC;JPQMKRBPLDJNDW-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385318;MM385318;C#CC(C(=C)C=C)C(C)O;NZIXGXAXGPPFSU-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385319;MM385319;CCOC(C#N)=C(N)C#N;YKSCCZAULFUCBC-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385320;MM385320;COCC=C(CN)CCF;BRQFPDZYENOEFI-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385321;MM385321;CCOC(C=O)=C(F)C=O;JOQPAWZVLWCHAG-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385322;MM385322;CCC(=CCCF)CNC;MBTGAWAQYIGIFC-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385323;MM385323;CCOC(C=O)=C(F)C#N;MHVSRUFLHHPBGY-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385324;MM385324;CNCC=C(CO)CNC;ZDOHVQCLVHHUII-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385325;MM385325;C=CC(CC=O)=C(C)C=O;BLMBRJMCCCSQAQ-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385326;MM385326;COCC(=CCCF)CN;VZYZTGWICVUPKU-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385327;MM385327;C=CC(CC=O)=C(C)C#N;HMRHSISMRGBFHY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385328;MM385328;COCC=C(CN)COC;CRZTWDAKNAQUFK-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385329;MM385329;C=CC(C)=C(C#N)CC=O;MFMAPXGDGVVTGJ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385330;MM385330;COC(=CCCO)CCN;APAFHYJFTISBNO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385331;MM385331;C=CCC(C=O)=C(C)C#N;IKVKBOUEWBNLHX-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385332;MM385332;CNCC=C(CCF)OC;VISYLPWXGTUSSK-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385333;MM385333;CC(C=O)=C(C=O)CC=O;RFNFAZZVQUSNNM-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385334;MM385334;COCC=C(CCN)OC;AWHLWGPPIMYXBP-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385335;MM385335;C=CCC(C=O)=C(N)C=C;VBGILDNMHRAUST-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385336;MM385336;CNCC(=CCCO)OC;XFTGMTNJEFUPAW-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385337;MM385337;C#CC#CC1CC1ON=C;SGUIUJBJHLXJHM-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385338;MM385338;CCOC=C(CCN)OC;YWVRDFKOROZKLN-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385339;MM385339;C=CC(N)=C(C#N)CC#N;KGORRHSYGFSGKU-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385340;MM385340;CCOC=C(CCO)OC;RSZPSWSDVSWJGE-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385341;MM385341;N#CCC(C=O)=C(N)C=O;RCNXOMLZHOGYAK-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385342;MM385342;CCOC=C(CNC)OC;DMOQNDYPMHZKSF-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385343;MM385343;C=CC(F)=C(C=C)CC=O;FKYMBVWNSJCRRC-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385344;MM385344;CCOC=C(COC)OC;QZROAIRSNPTUBM-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385345;MM385345;C=CC(CC=O)=C(F)C=O;PFDPDTAELDUMIV-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385346;MM385346;CCOC(=CCCO)CN;ZKWUUWTWUPWVOD-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385347;MM385347;C=CCC(C=O)=C(F)C=O;IXCWNFBTQYAFLP-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385348;MM385348;CCOC(=CCOC)CO;WALFGCSQZKSAFU-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385349;MM385349;CC(C=O)=C(C#N)NC=O;GUCFFECNDZNOOT-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385350;MM385350;CCOC=C(CC)OCC;QYWQLLSZHHPGRI-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385351;MM385351;C=CC(N)=C(C=O)NC=N;SSLLRBRPUWMVTB-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385352;MM385352;CCOC=C(CN)OCC;DQZNJKSVWXNAOB-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385353;MM385353;N#CC(N)=C(C=O)NC=O;UQCDYCVYIKQZNI-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385354;MM385354;CCOC=C(CO)OCC;LVBQMHSLJCEIBW-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385355;MM385355;N#CC(NC=O)=C(N)C=O;OULOUXYESRZUEJ-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385356;MM385356;C#CC1=C(C)C(O)C(C)C1;ZBPZJJUMMBCPCV-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385357;MM385357;COC(C=O)C1C(C)N1C;OEFMSRQAVIWOHR-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385358;MM385358;CC=C1CC2C(O)C2(C)C1;XXOHRGYWHPJDBY-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385359;MM385359;C=NN1CC1COCC=O;SVJYLYBWCJCHFN-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385360;MM385360;CCNN=C(CF)CCN;DTVHBIFJBKIGBI-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385361;MM385361;C#CC1CCC2(CO)CC12;OOKSQPLRNVKQEU-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385362;MM385362;CCNN=C(CF)CCF;RYJPYZWNLDXECC-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385363;MM385363;C=COC(C=O)=C(C)C=O;KGRQKWJGRDBRQX-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385364;MM385364;CCON=C(CC)CCN;IUKWMQPQOYCVQM-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385365;MM385365;C=COC(C=O)=C(C)C#N;FAXBNPBRTBVADS-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385366;MM385366;CCCC(CF)=NOCC;ZUOVCLYBXCHJGC-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385367;MM385367;C=COC(C#N)=C(C)C=O;JRTCEQDJVBVARS-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385368;MM385368;CC12CC(=CF)CC1C2O;UPMZIHVKIJZDPK-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385369;MM385369;C=COC(C#N)=C(C)C#N;ZXJMPHVXHPHYPU-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385370;MM385370;CCC(=NNC)NCCO;LWDUPYILNCAXIR-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385371;MM385371;CC(C=O)=C(C#N)OC=O;MPRMVFACPROHKX-UHFFFAOYSA-N;139.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385372;MM385372;CNNC(=NCCO)NC;AAODSNSDINEYCZ-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385373;MM385373;C=COC(C=O)=C(N)C=C;FNAQTDOAJKQWQW-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385374;MM385374;CCCN=C(NN)NNC;LPAJOQSCFRFOFG-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385375;MM385375;C=COC(C#N)=C(N)C=C;ZUJFEJDLOAOMPA-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385376;MM385376;CNNC(=NCCO)NN;ODQLHGCNNREQAT-UHFFFAOYSA-N;147.18;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385377;MM385377;C=CC(N)=C(C#N)OC=O;FXKKRIGRUWSHHT-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385378;MM385378;CNNC(=NCCO)NO;WJDJOMWPUJEOKV-UHFFFAOYSA-N;148.17;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385379;MM385379;C=COC(C=C)=C(F)C=O;SKESUGDARPTKSN-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385380;MM385380;CNC(=NCCO)NOC;FQBBAKQMCBQWDB-UHFFFAOYSA-N;147.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385381;MM385381;C=CC(F)=C(C#N)OC=O;SMOJIRLDHMOZNC-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385382;MM385382;CONC(=NCCO)NN;RJEKFEIPBKKDGJ-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385383;MM385383;C=COC(C=O)=C(F)C=O;RAINAASEIMAVTI-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385384;MM385384;CCCN=C(NOC)OC;MSWOLKWFNIBTNV-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385385;MM385385;C=COC(C=O)=C(F)C#N;JCRMVPWACAZUHS-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385386;MM385386;CCNN=C(NN)NNC;VCKFQLIQKKXDHH-UHFFFAOYSA-N;146.2;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385387;MM385387;C=COC(C#N)=C(F)C=O;YDNARJMQHPPXGA-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385388;MM385388;CCNN=C(NO)NNC;RIDDFTOEOAEILA-UHFFFAOYSA-N;147.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385389;MM385389;C=COC(C#N)=C(F)C#N;HXLRBIHIQHXZPZ-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385390;MM385390;CCC(C=O)C(C)=NOC;OTRRDZPEYGTXHQ-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385391;MM385391;CC=C1C=CC2(CO)CC12;OEFXEACGPPRFQS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385392;MM385392;CCOC(=NCCN)NC;RUCFDRGGUUIKHW-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385393;MM385393;C#CC(C)=C(C=O)CCO;AOKFECVCJNHERL-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385394;MM385394;NN=c1onc(N)oc1=O;DUMZOTGMSUWPPR-UHFFFAOYSA-N;144.09;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385395;MM385395;C#CC(C)=C(C=O)CCF;IEGRKVUXXXAWRG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385396;MM385396;CCON=C(NC)OCC;QMCNKOGRGDRFFF-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385397;MM385397;C#CC(F)=C(C=O)CCO;OODIONVDQPVNCT-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385398;MM385398;C=C1CCC2(CO)CC1C2;HDEVMFGOIPNKHV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385399;MM385399;C#CC(C)=C(C=C)CNC;HFMDMPWKVMZGBO-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385400;MM385400;CCON=C(OC)OCC;DJUSXFCWJDUNNN-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385401;MM385401;C#CC(C)=C(C=O)COC;QRKIGZNYPNTULL-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385402;MM385402;CCCC(=CCC#N)CC;ZYYGUHNUSAORHB-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385403;MM385403;C#CC(C)=C(C#N)COC;HCFQCJCASBAZBT-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385404;MM385404;C=CCC=C(CN)CCO;GODLSEQDTZHRMD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385405;MM385405;C#CC(N)=C(C#N)COC;WWEBXQGPGHSAGG-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385406;MM385406;C=CCC=C(CN)CCF;UMJUQBREUPLARS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385407;MM385407;C#CC(F)=C(C#N)COC;UMMKUJXEWGMNQL-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385408;MM385408;C=CCC=C(CF)CCN;WAXBRLYWQBRHFI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385409;MM385409;C#CC(C)=C(C#N)OCC;ARGOLJNVQRNDSX-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385410;MM385410;CCC(=CCC=O)CNC;KYWIFDCHEYISEQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385411;MM385411;C#CC(N)=C(C=O)OCC;SHKJJUKDWPGLNV-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385412;MM385412;CCC(=CCC#N)CNC;IYXXCVIWQPMMTC-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385413;MM385413;C#CC(F)=C(C=O)OCC;WOOORQRGSSMFKJ-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385414;MM385414;COCC(=CCC#N)CO;YUWJTEOXTMDLNM-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385415;MM385415;C#CC(C)=C(C#N)CC#N;KAFDAWVSRDJMHH-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385416;MM385416;CCCC(=CNC=N)CC;GTFXBMXVCOFYFU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385417;MM385417;C#CC(N)=C(C#N)CC=C;URMPKHIXTHMMNF-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385418;MM385418;CCC(=CNC=N)CCN;DNNYMECUJBKMKJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385419;MM385419;C#CC(N)=C(C=O)CC#N;KQMFTPIDQNFXFH-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385420;MM385420;CCC(=CNC=O)CCN;CKXPCJCILYQHNQ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385421;MM385421;C#CC(F)=C(C#N)CC#N;NYAUEMHFDZLVOE-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385422;MM385422;CCC(=CNC=N)CCF;QSFMRFOWWCATQJ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385423;MM385423;C#CC(C)=C(C=O)NC=O;RQGAXVITTFPGRP-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385424;MM385424;CCCC(=CNC=N)CN;TYTBJALQMYJRHL-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385425;MM385425;C#CC(N)=C(C=O)NC=O;OBKVBGPWOUIBNB-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385426;MM385426;CCCC(=CNC=O)CN;SBPMXFVUDWFWGO-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385427;MM385427;C#CC(F)=C(C=C)NC=O;LOIOVDNOMYJPAU-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385428;MM385428;N=CNC=C(CO)CCO;VYKYFTPYGPDSGL-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385429;MM385429;C#CC(C)=C(C#N)OC=O;PXNXTKDEKQPJCV-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385430;MM385430;O=CNC=C(CO)CCO;TUZIQBDGLLJCIT-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385431;MM385431;C#CC(F)=C(C=O)OC=C;KWIGZFHAKRDDSC-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385432;MM385432;NCCC(=CNC=O)CF;NKVLYHXBBHPXAP-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385433;MM385433;C#CC(F)=C(C#N)OC=O;MDNWDRITECAFQR-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385434;MM385434;N=CNC=C(CF)CCF;YQUVNQOHCYQFHB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385435;MM385435;C#CC(CCN)=C(C)CO;UURWTGZVUYWGJQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385436;MM385436;CCC(=CNC=N)CNC;DKZQHFRBRIGEHP-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385437;MM385437;C#CC(CCF)=C(C)CF;FHECLUCKNBQJJX-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385438;MM385438;CCC(=CNC=O)CNC;GLRSGXJBGGJYIS-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385439;MM385439;C#CC(COC)=C(C)CN;QLLYWQCTQJQXMJ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385440;MM385440;COC(=CNC=N)CCO;KFLQGJIEHASDQB-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385441;MM385441;C#CC(COC)=C(C)CO;QXSYVYZFNWJDEC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385442;MM385442;COC(=CNC=O)CCO;BVNIFRKBAZVYDE-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385443;MM385443;C#CC(COC)=C(C)OC;GLYCAWPOJXCZOV-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385444;MM385444;CCCC(=COC=O)CN;NEKMUHKQXLTIQC-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385445;MM385445;C#CC(OCC)=C(F)CO;DLOBCUGPXVKHEA-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385446;MM385446;NCCC(=COC=O)CN;YHJGPOIMJXZLND-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385447;MM385447;C#CC(OCC)=C(C)OC;HZMMDXBXKPWRPT-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385448;MM385448;CCCC(=COC=O)CO;ZLFWXXAGXWPLMD-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385449;MM385449;C#CC(CC#N)=C(C)OC;KNVQXUCRKKHSBI-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385450;MM385450;C=COC=C(CO)CCO;PZRHXRITAWXJCC-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385451;MM385451;C#CC(NC=N)=C(C)CF;KXEOHWXEYBUSAQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385452;MM385452;O=COC=C(CO)CCO;UKNFZMZELXOCAS-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385453;MM385453;C#CC(NC=O)=C(C)CF;ZDSFTCMEVTVABT-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385454;MM385454;O=COC=C(CO)CCF;PCTCJXGSJRLFRB-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385455;MM385455;C#CC(NC=N)=C(F)CC;YYWAHAYXAPCMAA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385456;MM385456;C=COC=C(CF)CCC;LAYHMIIWBKEFEQ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385457;MM385457;C#CC(NC=O)=C(F)CC;FORJKEZRRLATNH-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385458;MM385458;CCC(=COC=O)CNC;DZWCMMHJIGSTBS-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385459;MM385459;C#CC(OC=O)=C(C)CO;HKYLRGGSHBPIAF-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385460;MM385460;C=COC=C(CN)CNC;QDWOLMPKZFZARH-UHFFFAOYSA-N;142.2;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385461;MM385461;C#CC(OC=C)=C(C)OC;WEVMRZDPZUDONC-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385462;MM385462;CNCC(=COC=O)CO;POSTXUYYDUTUMR-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385463;MM385463;C#CC(CCO)=C(C)C=O;LYYAWHMDLMTRNU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385464;MM385464;C=COC=C(CCO)OC;IWPBTQCZYXRFEU-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385465;MM385465;C#CC(COC)=C(F)C=O;SUPORVKNCYCIQQ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385466;MM385466;CNCC(=COC=O)OC;GUVHKLDATBMSFF-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385467;MM385467;C#CC(COC)=C(F)C#N;FLRPPBXJFYDHFK-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385468;MM385468;C=COC=C(COC)OC;AUNAWXBXDHSVCQ-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385469;MM385469;C#CC(NCC)=C(F)C#N;UDSWJKNEXKNSTJ-UHFFFAOYSA-N;138.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385470;MM385470;CCOC(=CCC#N)CO;CKKBIWIQYYWQSN-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385471;MM385471;C#CC(OCC)=C(C)C#N;RXSKRZZGATYYKX-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385472;MM385472;CCOC(=CNC=O)CC;CYIRPIBZVHYJEK-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385473;MM385473;C#CC(OCC)=C(F)C=C;JJOOHABQNWPEBZ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385474;MM385474;CCOC(=CNC=O)CO;ZAZHGBKMLDREFQ-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385475;MM385475;C#CC(CC#N)=C(F)C=O;OYLOUPJYTUTYHU-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385476;MM385476;CCOC(=CNC=N)CF;QJEQZPKEMHECFK-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385477;MM385477;C#CC(CC#N)=C(F)C#N;KOHNQAZROKXIAS-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385478;MM385478;CCOC(=CNC=O)CF;MBASIIFCGVSPBN-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385479;MM385479;C#CC(NC=N)=C(C)C=C;GGCHSPKEEZTBOA-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385480;MM385480;C=COC=C(CN)OCC;VGRNFGMVQWSWSK-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385481;MM385481;C#CC(NC=O)=C(C)C=O;HYXBURVFYJCEJF-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385482;MM385482;C=COC=C(CO)OCC;DEJIQSQCRVZUCR-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385483;MM385483;C#CC(NC=O)=C(F)C=C;ZEOLUSOWALXYGZ-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385484;MM385484;CCOC(=COC=O)CO;VZUJFUYESUGOGA-UHFFFAOYSA-N;146.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385485;MM385485;C#CC(NN=C)=C(C)C#N;NOWFPQHCTCBCQE-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385486;MM385486;CCC(CCF)=NNC=O;IFRAGGGCMKNYBR-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385487;MM385487;OCC12C=CC(=CF)C1C2;PNIKLSZGISIYSU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385488;MM385488;NCCC(CO)=NNC=O;BUSVPYPDMCTHCZ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385489;MM385489;C#CC(OC=C)=C(C)C#N;DOJKMBZQYSVJDK-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385490;MM385490;O=CNN=C(CO)CCO;AQHKJHGEHBUBRD-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385491;MM385491;C#CC(OC=O)=C(C)C#N;JDZVJXCBWIIYGQ-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385492;MM385492;O=CNN=C(CO)CCF;RDTZVEDFNORIPB-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385493;MM385493;C#CC(OC=C)=C(F)C=O;JZVMLFYBEHTCLG-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385494;MM385494;O=CNN=C(CF)CCO;ALVVFIHKGRYREX-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385495;MM385495;C#CC(OC=C)=C(F)C#N;RIAIMYURZKXZEK-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385496;MM385496;CCC(CNC)=NNC=O;UWWRCHOKAYBCMZ-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385497;MM385497;C#CC(OC=O)=C(F)C=O;LFTSDGZGDCRBIN-UHFFFAOYSA-N;142.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385498;MM385498;COCC(CO)=NNC=O;AEVTWEJFRINTCX-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385499;MM385499;C#CC(OC=O)=C(F)C#N;NRQVUVVUAZXYDS-UHFFFAOYSA-N;139.09;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385500;MM385500;COCC(CF)=NNC=O;KDUWTIJYVMIMOV-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385501;MM385501;C#CC(F)=C(C#C)CCO;MRCOIKPGNKQVIJ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385502;MM385502;COC(CCN)=NNC=N;PGTCMMFPZJDJOZ-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385503;MM385503;C#CC(C)=C(C#C)COC;LQIGQFWLZBXRSU-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385504;MM385504;COC(CCN)=NNC=O;KHGHZIGRDVCUSZ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385505;MM385505;C#CC(F)=C(C#C)COC;BXBGLWIVDIPUTI-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385506;MM385506;O=C1CCC2(CO)CC1C2;QASBNHANSSDDAY-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385507;MM385507;C#CC(C)=C(C#C)OCC;JOLWFQCEWFSZSF-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385508;MM385508;COn1nnnc(N)c1=O;MXSCZRLUZXKQGZ-UHFFFAOYSA-N;143.11;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385509;MM385509;C#CC(F)=C(C#C)OCC;MHAJKVIEIGMYTK-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385510;MM385510;NCCC(CN)=NOC=O;URWYEXZHQIMJOF-UHFFFAOYSA-N;145.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385511;MM385511;C#CC(C)=C(C#C)CC#N;DEHLIXDKLHYMSR-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385512;MM385512;NCC(CCO)=NOC=O;LZIVVTDEUFHEDX-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385513;MM385513;C#CC(F)=C(C#C)CC#N;DEXMZIFRBZCAJD-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385514;MM385514;NCC(CCF)=NOC=O;WCOKTEUBGUXOSH-UHFFFAOYSA-N;148.14;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385515;MM385515;C#CC(C)=C(C#C)OC=C;QZRANIVYISVIIB-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385516;MM385516;O=CON=C(CF)CCF;DBXWIJHBYHDTDL-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385517;MM385517;C#CC(C)=C(C#C)OC=O;QTCRWSKPNZAXHY-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385518;MM385518;CCCC(=NO)NOC=O;PQJCXVRVBMEADQ-UHFFFAOYSA-N;146.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385519;MM385519;C#CC(F)=C(C#C)OC=C;MKYGLXWNRRWNQT-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385520;MM385520;CCCC(=NOC=O)OC;GQXMULJWDASWMB-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385521;MM385521;C#CC(F)=C(C#C)OC=O;OTJQMAZQXJLCRK-UHFFFAOYSA-N;138.1;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385522;MM385522;COC(CCN)=NOC=O;JVXYJEKRKXACPS-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385523;MM385523;CC(CO)=C(C=CF)CN;ZJKQSPRFJFSICW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385524;MM385524;C=Nn1onc(NC)c1=O;OLNFIXLQXOWBRN-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385525;MM385525;CC(CO)=C(C=CF)CO;RJFRVUJKYOSJNK-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385526;MM385526;CCNC(=NCC=O)NC;NHYJHYHYMPXKQR-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385527;MM385527;CC(CN)=C(C=CF)CF;FOSCEAOSDKXJFJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385528;MM385528;COc1c[nH]c(N=N)c1N;FMFDWPAIRZDZBN-UHFFFAOYSA-N;140.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385529;MM385529;CC=CC(CF)=C(C)CF;KYEFTOVJVZVTCK-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385530;MM385530;CNNC(=NCC=O)NC;CQOIORMURUHORN-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385531;MM385531;CC(CF)=C(C=CF)CF;NYNFONFIBXIEEC-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385532;MM385532;CNNC(=NCC=O)NO;JGJZCLUEFLIEJG-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385533;MM385533;CCC(F)=C(C=CF)CN;FMWBOIUQDJPSFB-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385534;MM385534;CCNC(=NNC=N)NC;VLTSJNMTKZXYOU-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385535;MM385535;NCC(C=CF)=C(F)CF;FFSYBJHXOWFLNW-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385536;MM385536;CNC(=NNC=O)NOC;YAWBWKIVJJOQRD-UHFFFAOYSA-N;146.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385537;MM385537;CCC(C=NO)=C(C)CN;LQQPDHIIMPHPSP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385538;MM385538;CNN=CNOCOC=O;OCAQNOJATPIAII-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385539;MM385539;CCC(C=NO)=C(C)CF;KVUYOPVZXMEYQK-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385540;MM385540;C=NOCONC=NNC;WAAYIGQWDADHAL-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385541;MM385541;CCC(C)=C(C=NO)CN;GACZFEQUXRMRFV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385542;MM385542;C=NN=CNC=NC=NC;KKHDZYSHYNFFMA-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385543;MM385543;CC(CF)=C(C=NO)CN;RTRAOGWACJPVFA-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385544;MM385544;CC1CC1N1C(C)C1C=O;SLBZHBHFGDMSHH-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385545;MM385545;CC(CN)=C(C=NO)CO;FNRVTDOYTRCLNR-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385546;MM385546;CCOC(CC)=NNC=O;NPVJBRANAKLEOS-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385547;MM385547;CC(CN)=C(C=NO)CF;KIKWVKUQTGYXKF-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385548;MM385548;Cc1c[nH]c(N)c1;PNSHOHABXLMAJM-UHFFFAOYSA-N;96.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385549;MM385549;CCN1CC1C=O;QTMNQRMKYBACBH-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385550;MM385550;CCOC(CO)=NNC=O;BSPKKNGHMYXWFJ-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385551;MM385551;NC(CO)=C(C=NO)CO;RGVMKZGMKJPTOQ-UHFFFAOYSA-N;146.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385552;MM385552;CNN=CNOC;JUILHPPSECLCBR-UHFFFAOYSA-N;103.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385553;MM385553;C#Cc1nc(N)co1;HVSGCIIKQMSBQC-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385554;MM385554;CCOC(CF)=NNC=O;DZVBVIIUGXFYPD-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385555;MM385555;CCC(=CNN)C(=N)NC;KGLBQYPYPQFVMQ-UHFFFAOYSA-N;142.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385556;MM385556;CC1C(O)CC1(C)C;KWHPJJIWKDWKPV-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385557;MM385557;CCC(=CNO)C(=N)NC;JIDILCNSNVFIJF-UHFFFAOYSA-N;143.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385558;MM385558;CCOC(=NNC=O)NC;WVQBPLKSDNTTPI-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385559;MM385559;CNC(=N)C(=CNO)CO;SKPZKFHLNOHMTB-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385560;MM385560;CC1=CC2CC1(O)C2;BCBGKFYSIQZKBR-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385561;MM385561;CNC(=N)C(=CNN)CF;YBACFODCSKZTRO-UHFFFAOYSA-N;146.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385562;MM385562;CC=NN1CC(=O)C1;CULRXJNPSZHYDX-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385563;MM385563;CCCN1CC1C=O;JLHAMQVIIUNPHE-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385564;MM385564;C=C(CC)C(O)CC;PHXFIBMVZOGZMO-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385565;MM385565;COC(N)=C(C=NO)CN;WUJKZQJFGGDJFV-UHFFFAOYSA-N;145.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385566;MM385566;CCOC(=NOC=O)OC;DDGCEKNEVQHLPW-UHFFFAOYSA-N;147.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385567;MM385567;COC(N)=C(C=NO)CO;OPVOBNAORUCZCN-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385568;MM385568;C#CCC=C(CN)CCF;YTLNKMAGWIAGJL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385569;MM385569;COC(C=CF)=C(F)CO;WQLSWNHOXDIGMO-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385570;MM385570;C#CCC=C(CCO)OC;GGMOBLYMPLCTFP-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385571;MM385571;COC(C=NO)=C(C)CO;TYEKCWAGWJOKGG-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385572;MM385572;CC=C(C)C(O)CC;LXPNAQUUGPUQGX-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385573;MM385573;CC(C)CC(C)(C)CO;CWPPDTVYIJETDF-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385574;MM385574;C#CCN=C(NO)NCC;XWSKOYODKPXOON-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385575;MM385575;COC(C=NO)=C(N)CO;RJVJUXDYBXFTAI-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385576;MM385576;C#CCN=C(NC)NNC;IHSFBDHHWJTXEC-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385577;MM385577;CC#CC1CC(C)(O)C1;UFXWWKZXFNMTQH-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385578;MM385578;C#CCN=C(NN)NNC;PLXHEAAWUUEZST-UHFFFAOYSA-N;141.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385579;MM385579;CN=C(C)C(=CNO)OC;VPLQXLXLSJJBQO-UHFFFAOYSA-N;144.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385580;MM385580;C#CCN=C(NO)NNC;JUFGOLBEYXNBJT-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385581;MM385581;CNC(=N)C(=CNN)OC;LUSASUUGURFRGT-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385582;MM385582;C#CCN=C(NC)NOC;RYWYJMZCYVGHMD-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385583;MM385583;CNC(=N)C(=CNO)OC;BFCUJSIMHRVINR-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385584;MM385584;C#CCN=C(NN)NOC;SRSZMONCQVIDFU-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385585;MM385585;COC(C)=C(C=NN)OC;PQGLTXMIQXGKHD-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385586;MM385586;C#CCN=C(NN)OCC;BEBVYTVESNOGCO-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385587;MM385587;COC(C)=C(C=NO)OC;HLSSSWXAIWORGS-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385588;MM385588;NN=c1onnn1N;XFUILHCIOLMNLF-UHFFFAOYSA-N;116.08;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385589;MM385589;C=CC(C)=C(C=CF)CN;VAXBPVFRCIIYCH-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385590;MM385590;C=CCC(=CCCC)CC;YRJNKFONIFEXAQ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385591;MM385591;CC(C=O)=C(C=CF)CF;FDQYANFDTZAJFK-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385592;MM385592;C=CCC(=CCCN)CC;RHAHYMDNIYCZST-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385593;MM385593;C=CC(C)=C(C=NO)CN;BIZCWPCIJLWRJN-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385594;MM385594;C=CCC(=CCCO)CC;MIVGJHPIHCCMEY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385595;MM385595;CC(C=O)=C(C=NO)CF;NWWUPFGJJMIEHT-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385596;MM385596;C=CCC(=CCCF)CC;ZJUASGZBUHICIB-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385597;MM385597;CNC(C=NO)=C(F)C=O;TYZCBYPXWCQQPJ-UHFFFAOYSA-N;146.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385598;MM385598;CCC(=CCCO)CC=O;JTCMSYKYUZBKBU-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385599;MM385599;C=CC(N)=C(C=NO)OC;WKUBSAYDQVNIHT-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385600;MM385600;CCC(=CCCF)CC=O;OFCUKWBJPGOLKN-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385601;MM385601;CC1=CC2(O)CC1(C)C2;MGOFYYBTMFDFKV-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385602;MM385602;C=CCC(=CCCC)CN;PPAUKFLVTPXUSN-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385603;MM385603;C=CC1(O)C=CC(=C)C1;FGQCZPOXTZMMOE-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385604;MM385604;C=C1CC(C)(C)CC1O;DSGODMPFZMFAPV-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385605;MM385605;C#CC(N)=C(C=NO)CO;ZXCGDEIUFGDVKM-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385606;MM385606;CCCC=C(CO)CC#N;LYCSRYIPDXATIK-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385607;MM385607;N#CCC(=CCCF)CO;GRKOLIDYJSQCGT-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385608;MM385608;C#CC(C)=C(C=NN)OC;QHLVXRIWTBCBJI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385609;MM385609;C=CCC(=CCCN)CF;XMFXVQGZTOJKNS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385610;MM385610;C#CC(F)=C(C=NN)OC;KAQUBUSFUCYWKF-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385611;MM385611;C=CCC(=CCCO)CF;CNBOGZMYYFXFEV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385612;MM385612;C=CC(C=CF)=C(C)CN;VYTACCDZXUOMDE-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385613;MM385613;C=CCC(=CCCF)CF;YCRYSUCTFFAGFH-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385614;MM385614;CC(CO)=C(C=O)C=CF;MWGQWGWLQSVXLD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385615;MM385615;O=CCC(=CCCF)CF;ZTRHACRNUMLAPI-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385616;MM385616;CC=CC(C=O)=C(N)CF;CDUIHYYBDDWGHS-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385617;MM385617;N#CCC(=CCCF)CF;NFRZVPBBUXNNIY-UHFFFAOYSA-N;145.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385618;MM385618;CC(CF)=C(C=O)C=NO;QRTMGKYLCZKYNE-UHFFFAOYSA-N;145.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385619;MM385619;C=CCC(=CCNC)CC;ITAVCWYYJKCDQI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385620;MM385620;C=CC(=CNO)C(=N)NC;MMWQAPGNVNCOCF-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385621;MM385621;CCC(=CCNC)CC=O;ZWLZISOORMQKRO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385622;MM385622;CNN=CN(C)C=NN;ZXZZXZUDDNNMJN-UHFFFAOYSA-N;129.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385623;MM385623;CNCC=C(CO)CC#N;LDVHMXQNYUYGCL-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385624;MM385624;CN1NC(C#N)CC1=O;XVWXNPNIIUWEDK-UHFFFAOYSA-N;125.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385625;MM385625;C=CCC(=CCNC)CF;PFIRZVRPQZYYTC-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385626;MM385626;C=C1C(O)CC2CC12C;IHVZNZOILSLYGO-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385627;MM385627;C=CCC(=CCOC)CC;OCAWXTLCYGXXKO-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385628;MM385628;O=C(O)COC(CF)=NO;ZFAUHLVHBMSQHZ-UHFFFAOYSA-N;151.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385629;MM385629;C=CCC(=CCOC)CN;CWHBWAVPFDHBJV-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385630;MM385630;O=CC12CC(=O)CC1N2;FIPQBJWJOZOTPT-UHFFFAOYSA-N;125.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385631;MM385631;C=CCC(=CCOC)CO;GRJALVVKBZTWLK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385632;MM385632;C#CC(C=NO)=C(N)CN;ISGVFFCAACXORH-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385633;MM385633;COCC=C(CO)CC#N;XAQRYKKHJXYWLD-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385634;MM385634;C#CC(C=NO)=C(N)CO;JHAJRANEVVQJDE-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385635;MM385635;C=CCC(=CCNC)OC;NLLOIBRHJWZVCL-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385636;MM385636;C#CC(=CNN)C(C)=NC;MCUKLVZJIHMEMH-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385637;MM385637;CNCC=C(CC#N)OC;XLDRALAJPWDALU-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385638;MM385638;C#CC(=CNO)C(C)=NC;KPWXFSOFJBWLKU-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385639;MM385639;COCC=C(CC#N)OC;YRHSSQNSIFUEBV-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385640;MM385640;C#CC(C=NO)=C(N)C=C;AYMFQBXOKOXHJH-UHFFFAOYSA-N;136.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385641;MM385641;C=CCC(=COCC)CC;XDODQPKEENMUGZ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385642;MM385642;C#CC(C)=C(C#C)C=NN;VQAULIYVMOXIEP-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385643;MM385643;CCOC=C(CC)CC#N;IGMSQCUUIRDRNR-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385644;MM385644;C#CC(C)=C(C#C)C=NO;BNTXHGKGKVOGMG-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385645;MM385645;C=CCC(=COCC)CN;KUMDODBNCCQNLW-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385646;MM385646;C#CC(F)=C(C#C)C=NN;YGGQKHOLLMWVJN-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385647;MM385647;C=CCC(=COCC)CO;ALIHFEBSNWJURF-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385648;MM385648;CC#CC(CN)=C(C)CO;YKWBHDNFBVPIHA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385649;MM385649;CCOC=C(CC#N)OC;UIVKZVZXSJNCKO-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385650;MM385650;CC#CC(CN)=C(C)CF;ZDSLCHRIYOWRNL-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385651;MM385651;CCC(=CCCO)NC=O;HALGJLBKSUBWCQ-UHFFFAOYSA-N;143.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385652;MM385652;CC#CC(CO)=C(C)CN;PQVSEOWLUHFWLP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385653;MM385653;N=CNC(=CCCN)CN;DQRMTRWCMACUKD-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385654;MM385654;CC#CC(CF)=C(C)CN;YPUFANNMIITLKQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385655;MM385655;N=CNC(=CCCO)CN;RMGNMNKKXBTAJH-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385656;MM385656;CC#CC(CN)=C(F)CO;GQUCDPVLDLZSSO-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385657;MM385657;O=CNC(=CCCO)CO;UHGWYRBWIUUWPQ-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385658;MM385658;CC#CC(CN)=C(C)OC;KDQYUAOCRGBEQO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385659;MM385659;CNCC=C(CF)NC=O;CJCFETAZNUZNNG-UHFFFAOYSA-N;146.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385660;MM385660;CC#CC(CO)=C(C)OC;MYTBTQVYJYBCNZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385661;MM385661;CCC(=CCOC)NC=O;DOUUOKXVDBNZMA-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385662;MM385662;CC#CC(OC)=C(F)CO;PKFKUOJDICZHIO-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385663;MM385663;COCC=C(CN)NC=N;VBQOVCJATJCMFE-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385664;MM385664;CC#CC(OC)=C(C)OC;XUSGNMRSZIZSMD-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385665;MM385665;COCC=C(CO)NC=O;QGWSKMXMCIOBCY-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385666;MM385666;CC#CC(CO)=C(C)C#N;CSLKVKZVTPSRSN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385667;MM385667;COC(=CCCF)NC=N;NEGVJMCHLPVUQK-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385668;MM385668;CC#CC(NC)=C(F)C=O;DADIBZUEZXODHM-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385669;MM385669;CNCC=C(NC=N)OC;ZQVKRKNCPGNRMO-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385670;MM385670;CC#CC(OC)=C(C)C#N;SZKYDNGOQJSWFC-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385671;MM385671;CCOC=C(CF)NC=N;CHCRMZWOXQDQKZ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385672;MM385672;C#CC(C)=C(C#CC)CO;IBPYBFNVBDJMPY-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385673;MM385673;CCC(=CCCN)OC=O;FSPPHUKOJNKANR-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385674;MM385674;C#CC(F)=C(C#CC)CO;DRIDDJQWJIZOCS-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385675;MM385675;O=COC(=CCCO)CO;IJBRJXSXWOBJEY-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385676;MM385676;C#CC(F)=C(C#CC)OC;ZGGABDJJHVXJTI-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385677;MM385677;CCC(=CCNC)OC=O;YZDFNOCRJBLAFG-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385678;MM385678;CC#CC(C=O)=C(N)CC;UFDCBSOJQFJCSP-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385679;MM385679;C=COC(=COCC)CC;JEUZSGKWVCPTML-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385680;MM385680;CC#CC(C#N)=C(N)CC;SFJMVMGCGSVONI-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385681;MM385681;C=COC(=COCC)CN;QDMIEXCWEPOGPV-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385682;MM385682;C=CC(C#CC)=C(F)CO;XURINWPTOXKZMR-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385683;MM385683;C=CCC(CC)=NNCC;RAGITMAOEPSEGH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385684;MM385684;CC#CC(C=O)=C(C)NC;QEQUCGXBDBXECQ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385685;MM385685;C=CC(O)C1CC1(C)C;BYTFGPOBSVFPKH-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385686;MM385686;CC#CC(C#N)=C(C)NC;XUSWOTISBCIWAI-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385687;MM385687;C=CNC(CC)=NCCO;UOTAEAKCGPKVBS-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385688;MM385688;CC#CC(C=O)=C(N)OC;IMVBVXFCXVMKDX-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385689;MM385689;C=CNC(CN)=NCCF;DZDTXBKPLHQWLK-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C5";;;;;;;-0.34;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385690;MM385690;CC#CC(C#N)=C(N)OC;FRRJZPIJMQCPJB-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385691;MM385691;C=CNC(CO)=NCCC;UIJBJZKZMSULML-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385692;MM385692;CC#CC(C=O)=C(C)C=O;XBRRJWIKLLONNC-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385693;MM385693;C=CNC(CO)=NCCO;FQCWRAXRXUDSNL-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385694;MM385694;C=CC(N)=C(C#N)C#CC;FTJMFTFQBSJKGG-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385695;MM385695;C=C1C(O)CCC1(C)C;CCELGXSAWICQKQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385696;MM385696;C=C1C(O)CC2(C)CC12;REUSRRALPGQIGG-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385697;MM385697;C=CNC(=NCCO)NC;VESQHQARMDMJCG-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385698;MM385698;CC#CC(C=O)=C(N)C#N;VZGLCOUYDWLOPD-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385699;MM385699;CNC(=NCCN)NC=N;DQEXZWIEQLDLDJ-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385700;MM385700;CC#CC(C#N)=C(F)C=O;CCBUKWOVEONSKJ-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385701;MM385701;CNC(=NCCO)NC=N;LFCIHDVLKSXYHN-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385702;MM385702;C#CC(C#CC)=C(C)C=O;TWWQBXYUIDHIBE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385703;MM385703;CNC(=NCCO)NC=O;LRNCJKVEXSBUMA-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385704;MM385704;C#CC(C#CC)=C(F)C=O;DZEQNRWLKYIVKI-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385705;MM385705;N=CNC(=NCCO)NN;LBTMRNCISSBDQS-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385706;MM385706;CCCC(CC)CCCO;FAVGQXSJUWKXAW-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385707;MM385707;C=CNC(=NCCO)NO;TZICAQMIDYXFRR-UHFFFAOYSA-N;145.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385708;MM385708;CCCCC(CC)CCN;CTOUNSPKBGUFNA-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385709;MM385709;N=CNC(=NCCN)NO;IWBZPOMQPWEIBA-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385710;MM385710;CCC(CCN)CCCN;JJUFAEHVCPEGEG-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385711;MM385711;C=NNC(=NCCN)NC;IKUSUUVLOJULOF-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385712;MM385712;CCC(CCN)CCCO;WOINFBWYMJYMLW-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385713;MM385713;C=NNC(=NCCO)NN;RCCBMFOABOELSC-UHFFFAOYSA-N;145.17;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385714;MM385714;CCCCC(CN)CCC;CUEUXLBCXLPVSU-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385715;MM385715;C=NNC(=NCCF)NN;KHYPMYYOIXLNNK-UHFFFAOYSA-N;147.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385716;MM385716;CCCC(CN)CCCN;OUWAEBIHOZISFL-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385717;MM385717;CNN=CNOC(C)C;HYDQWXCEMCXDFS-UHFFFAOYSA-N;131.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385718;MM385718;CCCC(CN)CCCF;OHAFBWUCYTYCHW-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385719;MM385719;C=CNC(=NNCC)NO;YOXUVYLDISCIFE-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385720;MM385720;NCC(CCO)CCCF;OTRSOEOYYHYBDE-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385721;MM385721;CCNN=C(NC=O)OC;BUTXQOULLVVNTD-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385722;MM385722;CCCCC(CN)CCF;HRIAWNARKZONNH-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385723;MM385723;CCON=C(NC=O)OC;BQKYXUVGBGJURD-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385724;MM385724;NCC(CCF)CCCO;TWXNQDPWZCRESE-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385725;MM385725;C#CCC1C(O)C1(C)C;QPNMOVCNMCZWTA-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385726;MM385726;CCCC(CO)CCCN;ACHQVLWJTZNMKY-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385727;MM385727;C#CCC1(C)C(C)C1O;JRDGDOXRAUVZMD-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385728;MM385728;NCCC(CO)CCCF;FKNQTSPDCMFLSS-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385729;MM385729;CCN1CC1(C)C(C)=O;ZUCUKWVABXLHLG-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385730;MM385730;CCCC(CF)CCCF;TWUKFNGBGMSECV-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385731;MM385731;C=CNC(=NNC)OC;LJRCTUYHNOXLHG-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385732;MM385732;CCCCC(CF)CCN;WAULUQOPTZICRN-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385733;MM385733;C=C1C(O)CC(C)C1C;OGGLWQHIJSBBBK-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385734;MM385734;NCCC(CF)CCCF;OHNSGKRCXFUDLO-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385735;MM385735;C=C1C(C=O)=NNC1C;GYAVDOSWWLKZGC-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385736;MM385736;NCCCC(CF)CCF;CHUJCTTZWQICBS-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385737;MM385737;CNc1c[nH]c(F)c1N;ZCAWFYONFVVJJB-UHFFFAOYSA-N;129.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385738;MM385738;FCCCC(CF)CCF;KTHVSRKTYCRCRF-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385739;MM385739;CNc1c[nH]c(N)c1F;BZZLNHJAHSOKBI-UHFFFAOYSA-N;129.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385740;MM385740;CCC(CCN)CCNC;RREZBQXVDMDFCX-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385741;MM385741;CNc1[nH]cc(N)c1F;IENCZGYZUAIKAA-UHFFFAOYSA-N;129.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385742;MM385742;CCCC(CN)CCNC;FRRFLEXEDLUPNF-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385743;MM385743;CCON=C(NC)OC=O;WTORZQZPHMEDJK-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385744;MM385744;CNCCC(CN)CCF;JRADKKFJOWNABK-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385745;MM385745;CNc1noc(=NN)o1;MFHAZKVHIPQTSQ-UHFFFAOYSA-N;130.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385746;MM385746;CCCC(CF)CCNC;MQEOZJLLALULLJ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385747;MM385747;C=CCC=C(CC)CC=C;SLNJMDAKFSPQEQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385748;MM385748;CNCCC(CF)CCF;UHSAPUXQRNYIOI-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385749;MM385749;C=CCC(=CCC=O)CC;HJQADCFLCQHIRD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385750;MM385750;CCC(CCN)CCOC;LVWAIWNCKAEPMN-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385751;MM385751;C=CCC=C(CC)CC=O;PBUKWHRRGADDGG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385752;MM385752;COCCC(CN)CCO;WFOOSMSVXAPLIT-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385753;MM385753;CCC(=CCC=O)CC=O;BDORTMSLCBJYBG-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385754;MM385754;COCCC(CO)CCN;IOCHSSMCHBPISJ-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385755;MM385755;CCC(=CCC#N)CC#N;VXGCOEDEMFUWAU-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385756;MM385756;COCCC(CO)CCF;NGCYMFDNSHIGFT-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385757;MM385757;C=CCC=C(CF)CC=O;WTLADYMRVNOOGU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385758;MM385758;COCCC(CF)CCO;STMWEHHRJJVPLZ-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385759;MM385759;C=CCC(=CNC=N)CC;OMZYRHIPCJQDAG-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385760;MM385760;COCCC(CF)CCF;NHJLYHPOEHCCFM-UHFFFAOYSA-N;152.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385761;MM385761;C=CCC(=CNC=O)CC;AKIUKPXIWZJUQY-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385762;MM385762;CCC(CCCN)CNC;LCZWPECKFNDJAL-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385763;MM385763;CCC(=CNC=O)CC=O;UZCOAPGUOFZKST-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385764;MM385764;CCCCC(CF)CNC;QVTLUNKQHFEMRG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385765;MM385765;C=CCC(=CNC=O)CN;XQLCVIJAQYQTJK-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385766;MM385766;CNCC(CF)CCCN;GQWFAQRCGKGPQA-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385767;MM385767;C=CCC(=CNC=N)CO;SQDHFBHARQWRFP-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385768;MM385768;CNCC(CF)CCCF;FMNHQXGLTYGWOL-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385769;MM385769;N#CCC(=CNC=O)CO;FFZSPYCADOQBJB-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385770;MM385770;CCC(CCNC)CNC;AEYOPRUPHZYPBD-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385771;MM385771;C=CCC(=CNC=O)OC;FTMBNZVZZUEERD-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385772;MM385772;CNCCC(CN)CNC;QQKVKCSDFJKZQZ-UHFFFAOYSA-N;145.25;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385773;MM385773;COC(=CN=CN)CC=O;KCGFKHLNQXWMPJ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385774;MM385774;CNCC(CN)CCOC;QQARXJCDSREBHG-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385775;MM385775;C=CCC(=COC=O)CC;DXEHEPXGYWMQPU-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385776;MM385776;COCC(CN)CCCO;PGQFRWMFEAWVPT-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385777;MM385777;CCC(=COC=O)CC=O;HDPSXESXXPDEMV-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385778;MM385778;COCC(CO)CCCO;WGDVYEJJQPOELU-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385779;MM385779;CCC(=COC=O)CC#N;WBFHVQRDGHHHRU-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385780;MM385780;CNCCC(CN)COC;GISHZXCEUUBOSA-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385781;MM385781;C=CCC(=COC=O)CO;HHKHXMAJUYZUAI-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385782;MM385782;CNCCC(CF)COC;CXUXPDGWMCREBP-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385783;MM385783;C=COC=C(CC#N)OC;LOJUEQBXGHZAPS-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385784;MM385784;COCCC(CN)COC;BBCXIKHDOLNSLQ-UHFFFAOYSA-N;147.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385785;MM385785;N#CCC=C(CO)NC=N;GWPIBBVAWMJHPD-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385786;MM385786;CCCC(CCCN)NC;DCAFQMRJTXQUNW-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385787;MM385787;N#CCC=C(CO)NC=O;JLZVGOQWZUSGDA-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385788;MM385788;CCCC(CCCO)NC;CFNIVCTVDNMXHJ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385789;MM385789;COC(=CCC=O)N=CN;SYSCLNMBZFRMCY-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385790;MM385790;CCCC(CCCF)NC;BUPOWBCEIQBYLF-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385791;MM385791;CCC(=CNC=O)NC=O;QVJSYCGFDSDGLM-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385792;MM385792;CCCCC(CCF)NC;PJBGSYOJKYBHCW-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385793;MM385793;N=CNC=C(CN)NC=N;CYVKHEQFIIHKEU-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385794;MM385794;CCCC(CCNC)NC;XAPKGZDLDGGIEH-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385795;MM385795;N=CNC(=CNC=O)CN;LQTXFBPSROTMFP-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385796;MM385796;CNC(CCN)CCOC;BPDLCFNOTFECPQ-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385797;MM385797;O=CNC=C(CO)NC=O;XXBAJLOKFHDSAW-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385798;MM385798;CNC(CCO)CCOC;IHIUCFNHXOIHSW-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385799;MM385799;N=CNC=C(CF)NC=N;ZWSNVFSCGQEPOL-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385800;MM385800;CNC(CCF)CCOC;QVDMLNZPKPUAMW-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385801;MM385801;N=CNC(=CNC=O)CF;IBPQPILMJBGUMX-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385802;MM385802;CCCCC(CNC)NC;MODZWRQMMLWZSF-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385803;MM385803;O=CNC=C(CF)NC=O;GJEVZTWIDBIYFX-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385804;MM385804;CNC(CCCO)COC;HQHUNBHOEPZQFH-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385805;MM385805;COC(=CNC=N)NC=N;SMRLTZRMJJACQV-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385806;MM385806;COC(CCO)CCCO;YSOPDBRLPXLQMU-UHFFFAOYSA-N;148.2;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385807;MM385807;COC(=CNC=O)NC=N;QVVDJOPCJGUVPU-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385808;MM385808;COC(CCF)CCCN;RORLTMZWUBASCK-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385809;MM385809;C=COC=C(CC)NC=N;LUPKUEHDGPDACD-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385810;MM385810;CCCC(CF)CNCC;DRWZUKRMXUNBLH-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385811;MM385811;CCC(=COC=O)NC=O;ZKWYUJZPILJBAQ-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385812;MM385812;CCNCC(CF)CCF;CWOVAQXOASYVTH-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385813;MM385813;N=CNC(=COC=O)CN;OYDKLEDJVKTZGN-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385814;MM385814;CCNCC(CC)CNC;XPAHQULRGJYDTF-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385815;MM385815;O=CNC(=COC=O)CO;YPPWHYOWDAVBQK-UHFFFAOYSA-N;145.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385816;MM385816;CCNCC(CN)COC;XFBNKQKFVHNCIB-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385817;MM385817;O=CNC(=COC=O)CF;ATXMKMKSIRCGJR-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385818;MM385818;CCCC(CNCC)NC;VHGDENRDWWLTBY-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385819;MM385819;C=COC(=CCC=O)CO;ZMECPTFJCDQAJL-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385820;MM385820;CCNCC(CCF)OC;CHFFPONXLNMUIQ-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385821;MM385821;C=COC(=CNC=N)CC;AYMTWGFOMRYCES-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385822;MM385822;CCOCC(CN)CCF;LISDKMAFIUKQGW-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385823;MM385823;C=COC(=CNC=O)CC;ADIZLZHKRQEDQM-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385824;MM385824;CCOCC(CO)CCF;VJLPHCIHTWCBHQ-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385825;MM385825;CCC(=CNC=O)OC=O;ZBTIIHFFRYEFMN-UHFFFAOYSA-N;143.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385826;MM385826;CCOCC(CN)CNC;MFQLZYKLHJVVGK-UHFFFAOYSA-N;146.23;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385827;MM385827;C=COC(=CNC=N)CN;DGCHSGLLTJUULR-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385828;MM385828;CCOCC(CO)CNC;NUVJRXRYJHJNPU-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385829;MM385829;C=COC(=CNC=N)CO;HBGNXDNHOIDXSK-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385830;MM385830;CCOCC(CF)CNC;LYEAWXHSGQEXBE-UHFFFAOYSA-N;149.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385831;MM385831;C=COC(=CNC=O)CO;OALNRYWOFFTRII-UHFFFAOYSA-N;143.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385832;MM385832;CCOCC(CO)COC;OGMNAJOUVKBCMU-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385833;MM385833;O=CNC=C(CO)OC=O;NIJZMJJVZJHWDO-UHFFFAOYSA-N;145.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385834;MM385834;CCOCC(CCF)NC;RBIGKOWVNOFKST-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385835;MM385835;C=COC(=CNC=N)CF;ACWMWIPTQDOLAP-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385836;MM385836;CCNC(CC)CCCN;XARQCBNLEIWRIO-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385837;MM385837;C=COC(=CNC=O)CF;XHLRLONIRNZIAK-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385838;MM385838;CCCCC(CF)NCC;ILYGSPROWABPKR-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385839;MM385839;C=COC(=COC=O)CF;RQKDMJUZZHTLOO-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385840;MM385840;CCNC(CF)CCCF;UUISSIKKUBFPQK-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385841;MM385841;C=CC(O)C1C(C)C1C;HKCVICWACMUETP-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385842;MM385842;CCNC(CC)CCNC;ATMOHTYDOJXFFZ-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385843;MM385843;O=CCC(CO)=NNC=O;COEXEAHHBNGZGS-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385844;MM385844;CCNCC(CC)NCC;ZYZXXEKBDWCGED-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385845;MM385845;C=CCC(CF)=NNC=O;QZDRNILLDJLZDK-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385846;MM385846;CCOC(CCNC)OC;GVQRHKGMQNBNDO-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385847;MM385847;C=CCONC=NNC;AKQUUFBFKUBGNE-UHFFFAOYSA-N;129.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385848;MM385848;CCNCC(CN)OCC;YGYUPPGSMHATJW-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385849;MM385849;CNC(N=CN)=NCC=O;BCXYIHLWKXBUCO-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385850;MM385850;CCNCC(OC)OCC;JMJINEMRJQHVRP-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385851;MM385851;CNC(=NCC=O)NC=O;YJXKEUTUOKMTEW-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385852;MM385852;CCCNC(CC)CCC;DMCUYSOOOUBEFH-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385853;MM385853;NC=NC(=NCC=O)NO;AZWKUHOPHSWYTC-UHFFFAOYSA-N;144.13;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385854;MM385854;CCCC(CC)NCCF;SRXSXKJSGPVYAS-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385855;MM385855;CCNN=CNOC=O;ZLYPNMGZIKRISK-UHFFFAOYSA-N;131.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385856;MM385856;CCCNC(CC)CCN;NEHXQKZAIVJWJW-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385857;MM385857;C=NNC(=NCC=O)NC;FQSBSBOJTHSGHJ-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385858;MM385858;CCC(CCN)NCCN;VNGGNSYHNVUAPK-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385859;MM385859;C=CCN=C(NC=O)OC;LXQMZDIZVZXZAR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385860;MM385860;CCC(CCN)NCCO;YUXNAIYYLDCQRZ-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385861;MM385861;COC(=NCC#N)NC=O;MEZXBDUOGNJFDD-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385862;MM385862;CCC(CCF)NCCF;HLODBCORHLCIFT-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385863;MM385863;C=CN=C(CO)NNC=N;WZUXGEPKZYPANI-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385864;MM385864;CCCNC(CN)CCC;VHPOBRRSPJCIDZ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385865;MM385865;C=CNC(CO)=NNC=O;RDKVVLKWWCSRLS-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385866;MM385866;CCCC(CN)NCCN;AOKKDKLAAUTBKE-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385867;MM385867;N=CNN=C(NN)NC=N;LSHQJSLNDOJRRH-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385868;MM385868;CCCC(CN)NCCO;KGAHWLBVCQYLCP-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385869;MM385869;N=CNC(=NNC=O)NN;RGKAOBBXRNGJGF-UHFFFAOYSA-N;144.14;-2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385870;MM385870;NCC(CCF)NCCF;SKMNQSMQFCDYRB-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385871;MM385871;N=CNN=C(NO)NC=N;HOYWLVUXOYFPNC-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385872;MM385872;CCCNC(CO)CCC;ZGPZGMHNOLLVOM-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385873;MM385873;N=CNC(=NNC=O)NO;WFKIBRCFLUELCS-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385874;MM385874;CCCC(CO)NCCO;AOVCGFPBATVVQH-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385875;MM385875;O=CNN=C(NO)NC=O;ZNPHODJOXQJWHO-UHFFFAOYSA-N;146.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385876;MM385876;OCCNC(CO)CCO;LICOKVJRGXIQCD-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385877;MM385877;CNN=CNOC(C)(C)C;FBXRHZHQOHGNOI-UHFFFAOYSA-N;145.21;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385878;MM385878;CCCNC(CF)CCF;SWSBUMVYTNDPAH-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385879;MM385879;CNC(=NOC=O)NC=N;NZWZLQJDDVDVER-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385880;MM385880;NCCNC(CF)CCF;AJAALQUYDXUKIC-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385881;MM385881;C=C(C)C1(C)CC(O)C1C;MTLXUBIZYMKKHG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385882;MM385882;CCC(CNC)NCCN;DJMYAOZLNCTTOT-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385883;MM385883;O=CNC(=NOC=O)NO;MAMFIYRUPQRJTO-UHFFFAOYSA-N;147.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385884;MM385884;COCC(CO)NCCN;SPAZAPGIUDOWIQ-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385885;MM385885;CONC(=NC(C)=N)OC;GCMYRCNUMWVTDS-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385886;MM385886;CCC(CCF)OCCN;NCRFFIDTDIEKHL-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385887;MM385887;C=C1C(=C)C(C)(O)C=C1C;WEKSSMQGTQGKGC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385888;MM385888;CCCC(CN)OCCN;WCOYPZAFTZUCDB-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385889;MM385889;CNN=CNOCC(F)F;OXTJETLZINRTSY-UHFFFAOYSA-N;153.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385890;MM385890;NCC(CCF)OCCF;CPLGOXRZDMXVLM-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385891;MM385891;CCNN=CNOC(C)=O;CWQANWMXXPRBKI-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385892;MM385892;CCCOC(CO)CCN;YETKEYZLRLUTOT-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385893;MM385893;CCNN=CNN=C(C)C;KWOFTWNRJJVPJC-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385894;MM385894;OCCOC(CO)CCO;IUSXXZSVVJZZJS-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385895;MM385895;C=COC(CC)=NNC=O;XDRZYKOVLBERCG-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385896;MM385896;CCCC(CF)OCCN;GEIALSZGXOPZHK-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385897;MM385897;CCC#CCC(C)C(C)O;GHNPKMOHPPRFRS-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385898;MM385898;NCCC(CF)OCCF;IOOAAXHUAYCJBT-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385899;MM385899;C=NOC(=NNC)C(C)F;JSKGQDOHWADSBQ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385900;MM385900;FCCOC(CF)CCF;WIPVGNRADIQVBX-UHFFFAOYSA-N;156.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385901;MM385901;CC(CC#N)=NN1CC1C;USISQZAYDFYZNO-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385902;MM385902;CCCC(CC)OCOC;IAGHZHAYEWAGMS-UHFFFAOYSA-N;146.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385903;MM385903;O=CNN=C(NO)OC=O;FEVSNJMVKUQUQU-UHFFFAOYSA-N;147.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385904;MM385904;CCCC(CN)OCOC;CXBFJCTWMLMIKZ-UHFFFAOYSA-N;147.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385905;MM385905;C=CC(O)(C=C)CCCC;KGXFIFQUGPZABD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385906;MM385906;CCCC(CO)OCOC;BKBWWEAZYXJYJI-UHFFFAOYSA-N;148.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385907;MM385907;C=NOC(=NNC=O)NO;MMCFTYYIXANQJV-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385908;MM385908;COCOC(CO)CCO;VHPOTSIJHJWYAG-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385909;MM385909;O=CON=C(CO)OC=O;GIOZZFLDWJULSN-UHFFFAOYSA-N;147.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385910;MM385910;COCOC(CO)CCF;VNNMRHOBNRVKCO-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385911;MM385911;C=COC(CF)=NOC=O;XYSXYZSDFGDJIR-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385912;MM385912;COCOC(CF)CCF;RHUSPEBNLGQDRJ-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385913;MM385913;C=NOC(CC)=NOC=O;GWYJSUHKKXPBPJ-UHFFFAOYSA-N;144.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385914;MM385914;CNCC(CF)OCCF;ACCFYDOMBXZKBE-UHFFFAOYSA-N;153.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385915;MM385915;O=CON=C(NO)OC=O;FLTUTIQBOVVHFH-UHFFFAOYSA-N;148.07;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385916;MM385916;CCC(COC)OCCN;OZZSFRPHTNLCQA-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385917;MM385917;C=CC(O)(C=CCC)CC;TWBFOIMIEPDBSK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385918;MM385918;CCCOC(CN)COC;IKLMHEAHYZOOGL-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385919;MM385919;C#CCC=C(CC)CC=C;UCSFSZGVUXAZLC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385920;MM385920;COCC(CO)OCCF;VFPUOMZTGNSPAA-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385921;MM385921;C#CCC=C(CO)CC=O;ZJICGJKEQCSNSY-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385922;MM385922;COCC(CF)OCCO;LKWAXQVJJXVUDY-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385923;MM385923;C#CCC=C(CO)CC#N;BPHPEHWBDLPDAG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385924;MM385924;COCOC(CN)COC;SEURSZWGVDGZSJ-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385925;MM385925;C#CCC=C(CN)NC=N;ASSRCXPSMPIDEP-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385926;MM385926;COC(CCO)OCCO;ZKMFYXKGDWSCOT-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385927;MM385927;C#CCC=C(CN)NC=O;UQWZZOXHWRHRLP-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385928;MM385928;COCOC(CCN)OC;TYIQXNPYFBPCQM-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385929;MM385929;COCOC(CCO)OC;UFDOZEFFBRYKGG-UHFFFAOYSA-N;150.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385930;MM385930;C#CCNC(CO)=NC=C;HVXVIDLQMJTXHE-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385931;MM385931;C#CCN=C(NC)NC=C;ZBDVZSSBMPMTEJ-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385932;MM385932;CNCC(OC)OCOC;FFICRCOOSYZVKC-UHFFFAOYSA-N;149.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385933;MM385933;COCC(OC)OCCN;MNEPTDORQOJEAH-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385934;MM385934;C#CCN=C(NC)NC=N;XZJMPJAJDDOPNZ-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385935;MM385935;C#CCN=C(NC)NC=O;SCBFUVPQRUKXSN-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385936;MM385936;COCOC(COC)OC;BPYUGWHBQQMGEC-UHFFFAOYSA-N;150.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385937;MM385937;C#CCN=C(NN)NC=N;DOXZJGNTHQFRTE-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385938;MM385938;CCOC(CN)OCCO;CEWNPESNGAOOIT-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385939;MM385939;CCOC(CN)OCCF;POFNEMRFMHTIDP-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385940;MM385940;C#CCN=C(NO)NC=C;SUOODHXWVOLNJC-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385941;MM385941;CCOC(CO)OCCN;WNRDGEPUHLJYBY-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385942;MM385942;C#CCN=C(NO)NC=N;XJPBIRDDVXEMOL-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385943;MM385943;CCOC(CO)OCCO;KNHULHZQUWNEQF-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385944;MM385944;CC(=NOC(C)=NN)NN;KZJLWLUNARLMDG-UHFFFAOYSA-N;145.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385945;MM385945;C=CCCC(CN)CCF;MYDLAZVMFIODLR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385946;MM385946;C#CCN=C(NC=C)OC;YQFHPDCKSJZXPZ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385947;MM385947;O=CCCC(CO)CCO;SCXDSOSOLAQKOU-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385948;MM385948;C#CCN=C(NC=O)OC;CPWMFKBMRMSEDS-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385949;MM385949;O=CCCC(CF)CCF;VTKUDLLLMQLMOU-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385950;MM385950;C#CC(C)NC(C=O)CF;YSSQCHZKEKUZBG-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385951;MM385951;C=CCCC(CO)CNC;JAARBMVIQRJVDK-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385952;MM385952;C#CCC(=CCCC)CC;ZBRYMMRQTPMIQR-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385953;MM385953;CNCC(CF)CCC#N;ZKCDJVTUVPGKCN-UHFFFAOYSA-N;144.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385954;MM385954;C#CCC(=CCCN)CC;UQRLJTACHYDXHH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385955;MM385955;COCC(CO)CCC=O;QDRNBNONSVOCGI-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385956;MM385956;C#CCC(=CCCF)CC;RAKISAWTAUZODE-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385957;MM385957;CNC(CCO)CCC#N;WWDCCFVOPDMPJZ-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385958;MM385958;C#CCC(=CCCC)CN;BYBKGJYQYAMIJT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385959;MM385959;C=CCCC(CCF)NC;SKDYIGUAQNTCMM-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385960;MM385960;C#CCC(=CCCO)CN;PMZZDKWOQNAEET-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385961;MM385961;C=CCCC(CNC)NC;GIHJRVGAMUHTMC-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385962;MM385962;C#CCC(=CCCC)CO;SOAOOVLYVWEILY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385963;MM385963;CNCC(CCC=O)NC;LLPFERNJMZXPQF-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385964;MM385964;C#CCC(=CCCN)CO;JJTSSXUBGSFRNE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385965;MM385965;CNC(CCC#N)COC;FFVYDTNEBPJHBL-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385966;MM385966;C#CCC(=CCCF)CF;WJDWAWAHWWYXSL-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385967;MM385967;COC(CCO)CCC#N;FPMZXCKPTVBTQG-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385968;MM385968;C#CCC(=CCNC)CN;YERRWSCDBCAKML-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385969;MM385969;CCC(CCN)CNC=O;VXIZGISVXCFVNN-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385970;MM385970;C#CCC(=CCCN)OC;UQMCETFPMVXPDS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385971;MM385971;CCC(CCF)CNC=N;VIHAXRHLDCESIW-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385972;MM385972;C#CCC(=COCC)CC;SRCGWAIGUWDWSN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385973;MM385973;CCNN=C(CF)NC;IATKHJQMHGUKBA-UHFFFAOYSA-N;133.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385974;MM385974;C#CCC(=COCC)CF;RZYZUZZLEAYAQQ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385975;MM385975;NCCC(CN)CNC=O;AYERIPZOLSVUEZ-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385976;MM385976;C#CCC(=COCC)OC;KCAHYLYKJXUARV-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385977;MM385977;N=CNCC(CO)CCN;GPNLOIZKFWCYJN-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385978;MM385978;C#CCC(CC)=NNCC;YUARWUZZGWOSJJ-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385979;MM385979;CCCC(CF)CNC=N;NFKINBSSTMXMNU-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385980;MM385980;C#CCC(CF)=NNCC;DIDKLDZHIJGFSD-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385981;MM385981;CCCCN1CC1C=O;MIXPIISMFMYGMJ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385982;MM385982;C#CCC(=NOCC)OC;VJNNWPXQKUISMC-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385983;MM385983;O=CNCC(CF)CCF;JXEYBKHTFRBAQD-UHFFFAOYSA-N;151.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385984;MM385984;C=CC1(C=C)NC1C(C)=O;IWSYVKRHFXXMJK-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385985;MM385985;CCC(C)CC(C)(C)CO;JNWGRGISOITMRT-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385986;MM385986;C#CCC(=CNC=N)CC;UBVAUAVDLMMOAP-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385987;MM385987;C=NNCC(CF)CCF;LHSGGLRIYZWQDF-UHFFFAOYSA-N;150.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385988;MM385988;C#CCC(=CNC=O)CC;AZODFZSYQFTPSM-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385989;MM385989;CCC(CNC)CNC=N;ZITDITSEWNYYHM-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385990;MM385990;C#CCC(=CNC=N)CN;DIZLEDCXFSLSFQ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385991;MM385991;CNCC(CO)CNC=O;XAYDFULRXWZKOX-UHFFFAOYSA-N;146.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385992;MM385992;C#CCC(=CNC=N)CO;MDRAETZHNPJMMF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385993;MM385993;C=NNCC(CN)CNC;QZPXXDNDEJDQJW-UHFFFAOYSA-N;144.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385994;MM385994;C#CCC(=CNC=O)CO;GAQWAFLJBRWCIU-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385995;MM385995;C=NNCC(CO)CNC;KVMPXAZVFGVTAU-UHFFFAOYSA-N;145.21;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385996;MM385996;C#CCC(=CNC=N)OC;GGGFRYYCXDCGIW-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385997;MM385997;C=NNCC(CF)CNC;VJSQBWUNHGQBNJ-UHFFFAOYSA-N;147.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385998;MM385998;C#CCC(=COC=C)CC;JYCCMXYUVXXLEE-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM385999;MM385999;CC(CF)CC(C)(C)CO;AOJREEJXPSKRIH-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386000;MM386000;C#CCC(=COC=O)CC;RGBFQPPRMJGJRE-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386001;MM386001;CNC(CCN)CNC=O;SECFNYUUUSMQNJ-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386002;MM386002;C#CCC(=COC=C)CF;YQNHZMKFJXXTCP-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386003;MM386003;C=NNCC(CCN)NC;VAAHARSUWGKUCQ-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386004;MM386004;C#CCC(=COC=C)OC;WFJSCEWBRDGODV-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386005;MM386005;C=NNCC(CCO)NC;UZBFKNGRPQSZFD-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386006;MM386006;CC(=O)CNC1(C#N)CC1;FETIZAFTQIHNKE-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386007;MM386007;C=NNCC(CCF)NC;GFGWHGKJOZBSFG-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386008;MM386008;C#CCC(CC)=NOC=O;IQKVYHBGLJHCOL-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386009;MM386009;CNCC(CNC=O)NC;PWRSTPHATPYHEU-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386010;MM386010;C#CCC(=NOC=O)OC;IDUNEKZGHLQUEH-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386011;MM386011;C=NNCC(CNC)NC;AMVPOJACKMUEDE-UHFFFAOYSA-N;144.22;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386012;MM386012;C#CCC=C(CN)CC#C;ZRHGOIBEEKPPCZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386013;MM386013;CNC(CNC=N)COC;LTRVKFNVBWPTLK-UHFFFAOYSA-N;145.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386014;MM386014;C#CCC=C(CC#C)OC;RMSSACQVHSMSRH-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386015;MM386015;COC(CCN)CNC=N;PLCOHNLKFZTKTF-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386016;MM386016;C=CC(=CCCN)CCC;ZMANZLDYCIFWOS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386017;MM386017;COC(CCF)CNC=N;OLAHMMQIHKGELW-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386018;MM386018;C=CC(=CCCN)CCN;DCNUSVBVJICQIY-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386019;MM386019;COC(CCF)CNC=O;XWIAOPLGDHNJLK-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386020;MM386020;C=CC(=CCCF)CCN;YQVJKESLHAQXST-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386021;MM386021;C=C(CC=O)C(C)(C)CO;ZTYMBYWNVCHIBD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386022;MM386022;C=CC(=CCCN)CCF;KYYXHZHMSZNFSH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386023;MM386023;C=NNCC(COC)OC;DELIFUORJSAIJU-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386024;MM386024;CCCC(C=O)=CCCF;BTZJWBPDGPLPHZ-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386025;MM386025;CCC(CCN)COC=O;MZRYCFDUMSGOCF-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386026;MM386026;C=CC(=CCNC)CCF;DRBXMJLQQZKARA-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386027;MM386027;CCCC(CN)COC=O;ZSVVGWWQVYPPLK-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386028;MM386028;CCCC(C=O)=CCNC;RYYHFEYXSHPXRF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386029;MM386029;C=COCC(CO)CCN;NUPREBOKVZTHOV-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386030;MM386030;C=CC(=CCOC)CCC;PLTGKRDLZXQMCF-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386031;MM386031;C=COCC(CO)CCO;TUVRSZOAYSNQEA-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386032;MM386032;COCC=C(C=O)CCO;CJLASKXCYDMDSF-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386033;MM386033;C=COCC(CO)CCF;QIAMZSMLTGOMHK-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386034;MM386034;C=CC(=CCCC)CNC;ZCYWDKOHNAWFPP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386035;MM386035;O=COCC(CF)CCO;MFBCBMCBXIKOTF-UHFFFAOYSA-N;150.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386036;MM386036;C=CC(=CCCF)CNC;RQPOGJMIYTUTQU-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386037;MM386037;O=COCC(CF)CCF;MOESNRNMBKQBLU-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386038;MM386038;C=CC(=CCNC)CNC;AEALDIHJIPTPSD-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386039;MM386039;C=NOCC(CO)CCN;KCGJKBRGVKKGAQ-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386040;MM386040;CNCC(C=O)=CCOC;IDDCXBXTZZZPCR-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386041;MM386041;CCC(CNC)COC=O;XSTPMIHULOWPGP-UHFFFAOYSA-N;145.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386042;MM386042;CNCC=C(C=O)COC;VVOREMOKZGOZJF-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386043;MM386043;C=COCC(CO)CNC;UIIKLNLYTIKVBL-UHFFFAOYSA-N;145.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386044;MM386044;CCCC(C#N)=CNCC;NNFICFWXMMVLLD-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386045;MM386045;CCCC(COC=O)NC;WPQRWDKPCDBYMT-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386046;MM386046;CCCC(C#N)=COCC;LGEQBTCASTUUOL-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386047;MM386047;CNC(CCO)COC=O;VCZXFNMGXNJZLQ-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386048;MM386048;CCOC=C(C=O)CCO;UGZMIVLFVDPRKI-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386049;MM386049;C=COCC(CCF)NC;APJLKBNIBMINPY-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386050;MM386050;CCOC=C(C#N)COC;SNCKHIFTXOMTLU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386051;MM386051;C=NOCC(CCF)NC;PAUGJARZJZDXIJ-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386052;MM386052;CCOC(C=O)=CCCO;MAWYBJICVOWZTM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386053;MM386053;C=COCC(CNC)NC;BUAFHAOQQGPOHT-UHFFFAOYSA-N;144.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386054;MM386054;CCOC(C#N)=CCCO;NAXSBMUYDIKLSC-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386055;MM386055;C=NOCC(COC)OC;HXUPAQLYLLPOOD-UHFFFAOYSA-N;147.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386056;MM386056;CCOC(C#N)=CCOC;YMDDHQJXGVWZPR-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386057;MM386057;C=NNCC(CO)NCC;RKCWZLOJZRQVGR-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386058;MM386058;CCOC=C(C=O)OCC;DGPNIUPBPJWIBL-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386059;MM386059;C=COCC(CN)NCC;PHZKSWDFKJUGMW-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386060;MM386060;C=CC(CCC)=NNCC;OXOFTEGNQIRDBI-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386061;MM386061;CCNC(CO)COC=O;WCVOACQLMQXDSZ-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386062;MM386062;CCC=NN(C)C=NNC;LUEXRRFALMOOJC-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386063;MM386063;CCOC(CCC=O)OC;ZALICPCGZVYENP-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386064;MM386064;CNN=CNOC(C)CF;AINNVZKJQKMJNE-UHFFFAOYSA-N;149.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386065;MM386065;CCOC(CF)CNC=O;PPSQZSXUNGWBMV-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386066;MM386066;C=NN=CCCC(=O)C=O;KEZCWBZILZLEFD-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386067;MM386067;C=NNCC(CF)OCC;JGTBMTKWHSTGOG-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386068;MM386068;CCON=C(C#N)OCC;MNWQDUFSHLZFNK-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386069;MM386069;CCOC(CNC=N)OC;POOYLJRLGOHNGD-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386070;MM386070;C=CC(=CCC=O)CCC;BFKVVBOTTMWATA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386071;MM386071;CCOC(CNC=O)OC;KFNWGCRRKGPDAU-UHFFFAOYSA-N;147.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386072;MM386072;C=CC(=CCC#N)CCC;LMLOEIRINLFDGV-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386073;MM386073;C=CCNC(CN)CCF;ZHSPPWXEOBZVRK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386074;MM386074;CCCC(C=O)=CCC#N;BAMPLIVLLUTLAC-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386075;MM386075;C=CCNC(CF)CCC;IHHMNGOGQVPOOD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386076;MM386076;CCCC(C#N)=CCC#N;KHQPFEDYONTBGP-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386077;MM386077;C=CCNC(CC)CNC;JJYVBMZANSGPMU-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386078;MM386078;N#CCC=C(C=O)CCO;AIIRAZUBCWHQDB-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386079;MM386079;CCC(COC)NCC#N;OWMGWVWONBIZOJ-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386080;MM386080;C=CCC=C(C=O)CCF;LBUKXXRWODMANX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386081;MM386081;CCCC(CC)NNC=N;OYCDTPLSTHGZLE-UHFFFAOYSA-N;143.23;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386082;MM386082;C=CCC=C(C#N)CCF;XKXBDYDHEYSWCT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386083;MM386083;CC#CC1C=CC(C)(O)C1;MAXICQRLBBVLET-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386084;MM386084;N#CC(=CCC=O)CCF;YICWJONMVPHOJG-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386085;MM386085;N=CNNC(CN)CCN;APIQJGQTTHRJLT-UHFFFAOYSA-N;145.21;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386086;MM386086;C=CC(=CCC=O)CNC;GPRITVNNPJKYMQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386087;MM386087;C=C(C)C(C)C1(C)CC1O;WVZOXJADTZMPJZ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386088;MM386088;C=CC(=CNC=N)CCC;LEAKRKDCMFKTDE-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386089;MM386089;CCCC(CC)OCC=O;VNDRLIVFMJHINK-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386090;MM386090;C=CC(=CNC=O)CCC;DVTIZCYIPZQNAL-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386091;MM386091;CCC(CCF)OCC#N;IIPGJGSQVHBMGY-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386092;MM386092;C=CC(=CNC=O)CCN;ITTNIUOWJHOKSJ-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386093;MM386093;N#CCOC(CO)CCO;HCESWSKDDDESFF-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386094;MM386094;C=CC(=CNC=O)CCO;FPDPGZUMLFHTOC-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386095;MM386095;O=CCOC(CO)CCF;SWIICZRMYNKYLA-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386096;MM386096;C=CC(=CNC=N)CCF;LKMKDPZWOXPBIO-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386097;MM386097;CNCC(CO)OCC#N;ZFIGNHWKBFJIFW-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386098;MM386098;C=CC(=CNC=O)CCF;ZCECONPPIMYEKF-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386099;MM386099;C=CCOC(CN)COC;QFHCRFRBMCEQIF-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386100;MM386100;CCCC(C=O)=CN=CN;MGHLCPOYBXBPEW-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386101;MM386101;COCC(CO)OCC=O;NXAOHFWXFCKKBD-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386102;MM386102;CCCC(C=O)=CNC=O;XOTWEKLQJZYYHW-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386103;MM386103;C=CCOC(CCO)OC;SWTIGAUQURLIFS-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386104;MM386104;N#CC(=CNC=N)CCO;RCXSTNZHFBQYRB-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386105;MM386105;CNCC(OC)OCC=O;NGRFUILKQSRHLT-UHFFFAOYSA-N;147.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386106;MM386106;O=CNC=C(C=O)CCO;PCXGXAOZFKOFBD-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386107;MM386107;COCC(OC)OCC=O;LMGPUVNRMGJIPF-UHFFFAOYSA-N;148.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386108;MM386108;N#CC(=CNC=O)CCO;XTYHFTFKBXGVPR-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386109;MM386109;CCCC(CC)ONC=O;BIPWFCWCDMRZFB-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386110;MM386110;CCC#CCCC(O)CC;ZXCFQKOMHYHSLS-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386111;MM386111;CCC(CCN)ONC=N;SEHIOWZUAKTLND-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386112;MM386112;C=C(C#N)NC=NN=CC;KBOIVTVQIJLASR-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386113;MM386113;CCC(CCF)ONC=N;LEYIOMLNCZSWEQ-UHFFFAOYSA-N;148.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386114;MM386114;C=CC(=CNC=N)CNC;UYLJQQMBOPBBOJ-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386115;MM386115;CCC(CCF)ONC=O;HFLYDHSMBRFAKN-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386116;MM386116;C=CC(=CNC=O)CNC;YFKZFHOLPRITSB-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386117;MM386117;CCCC(CN)ONC=N;UXUCAYHXWZFVON-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386118;MM386118;C=CC(=CNC=N)COC;FKPJFPTVPQBNRO-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386119;MM386119;CCCC(CN)ONC=O;NRJPQFBGFMEVDE-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386120;MM386120;COCC(C=O)=CNC=O;QNUGWUXFGGCNJP-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386121;MM386121;N=CNOC(CF)CCF;NTBMRDLJXFKHLI-UHFFFAOYSA-N;152.14;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386122;MM386122;C=COC=C(C#N)CCC;QGUFSDDTAQABPV-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386123;MM386123;CCC(CNC)ONC=O;DDIXSGVAHWRQCE-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386124;MM386124;CCCC(C#N)=COC=O;QHZOAXNLPWRQCL-UHFFFAOYSA-N;139.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386125;MM386125;COCC(CO)ONC=N;ZHFGOPWIGNENCA-UHFFFAOYSA-N;148.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386126;MM386126;C=COC=C(C=O)CCO;HQENICUMFSJRNP-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386127;MM386127;COCC(CO)ONC=O;KMGWEVTUGMOJPH-UHFFFAOYSA-N;149.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386128;MM386128;C=COC=C(C#N)CCO;PKSOZKSHJJDCLF-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386129;MM386129;COC(CCO)ONC=N;ZFJUGRZLYCJNAH-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386130;MM386130;C=COC=C(C#N)COC;CYRWFURFTMVRGS-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386131;MM386131;COC(CCF)ONC=O;VBCLHNAHWVIGHZ-UHFFFAOYSA-N;151.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386132;MM386132;COCC(C=O)=COC=O;BTWMFYQVEVNSMS-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386133;MM386133;CNCC(OC)ONC=N;AFXUKLXNCNTBPD-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386134;MM386134;CCOC(C=O)=CCC#N;ZGDCJZYVBQVOFW-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386135;MM386135;COCC(OC)ONC=N;KTSRMVIFCUXECB-UHFFFAOYSA-N;148.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386136;MM386136;CCOC(C#N)=CCC#N;PFSNPNYJACRVRI-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386137;MM386137;COCC(OC)ONC=O;FLEROUQUFWHWID-UHFFFAOYSA-N;149.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386138;MM386138;C=CC(=CNC=N)OCC;NEPNNKYXBLKXMZ-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386139;MM386139;C=CCOC(CN)OCC;IVWZMFOPIBBUGY-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386140;MM386140;C=CC(=CNC=O)OCC;LBMKFGFDANMUFN-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386141;MM386141;CCOC(CO)OCC=O;DUNCLLDLLNOPOL-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386142;MM386142;CCOC(C=O)=CNC=O;GTWBIICBIJIEQA-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386143;MM386143;CCOC(CO)ONC=N;PHUXWHXWADPFRJ-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386144;MM386144;CNN=C(CF)OC=NN;IDQWFOLZPSWOFW-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386145;MM386145;CCOC(CO)ONC=O;COFHXPLFUGLVOT-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386146;MM386146;C=C1C(C)=C(C)C2CC12O;IJXODFVRXAAFMM-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386147;MM386147;CCOC(CF)ONC=N;MXQXXUZNEOAWAB-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386148;MM386148;C=COC=C(C=O)OCC;JTMHXJJZCNFQNK-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386149;MM386149;C=CCCN(CC)CCN;OKJRHARHCKBHKS-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386150;MM386150;CCOC(C=O)=COC=O;SHTXELGKWYQQOX-UHFFFAOYSA-N;144.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386151;MM386151;C#CCCC(CN)CCF;KDRSVBBGVBIVEV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386152;MM386152;C=CC(CCC)=NNC=O;ISVPXOPPJJYEMQ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386153;MM386153;C#CCCC(CF)CCO;DLVBBRKJZRSICC-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386154;MM386154;C=CC(CCF)=NNC=O;TWSDURCAVTXSFJ-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386155;MM386155;C#CCCC(CF)CCF;OJTNJFKFCQDHJX-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386156;MM386156;NN=c1oc(N)c(F)n1N;IFIOXAUFADXPAK-UHFFFAOYSA-N;147.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386157;MM386157;C#CCCC(CF)CNC;MNSBALYVQLHKEA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386158;MM386158;O=CNN=C(C=O)CCO;YYUSYYHMMWWMFX-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386159;MM386159;C#CCCC(CCC)NC;YNVKLHYHWREELY-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386160;MM386160;COn1oc(=O)oc1=NN;XEVBNJUYBLAJDX-UHFFFAOYSA-N;147.09;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386161;MM386161;C#CCCC(CCF)NC;KPLJDTLYZPMYDO-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386162;MM386162;C=CC(CCC)=NOC=O;RSMWPUFFVOOSCF-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386163;MM386163;C#CCCC(CNC)NC;YQWWTDYYOSMJAE-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386164;MM386164;C=NOCCC(C=O)OC;KFOWGPMVBFVDTH-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386165;MM386165;C=CC(CNC)=NOC=O;CXAMULBNCFVCPN-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386166;MM386166;C#CCCC(CO)OCC;MHAJPCJKRFTYCA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386167;MM386167;COCC(C#N)=NOC=O;HIIJCHSBRDIIIT-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386168;MM386168;C#CCCC(OC)OCC;JBEDVUUQZODIMJ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386169;MM386169;C#CC(=NC=NNC)NN;QJONRDHSUSZKGT-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386170;MM386170;C#CCNC(CN)CCC;RHPUDCYXEADXJF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386171;MM386171;CCOC(C#N)=NNC=O;UXPSMOVIYJVAKC-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386172;MM386172;C#CCNC(CN)CCF;ZGIDXRGPZHPJBV-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386173;MM386173;C#CCC=C(C=O)CCO;VOTZEUZKXVOTLH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386174;MM386174;C#CCOC(CO)CCN;NHHXWSHBLNBFRQ-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386175;MM386175;C#CCC=C(C#N)CCO;DSCGOQZCQNLDHG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386176;MM386176;C#CCOC(CF)CCO;SDPDZEVODIWIKV-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386177;MM386177;C=CCC(C=C)=CCCC;RXAMSLLCUXDINV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386178;MM386178;C#CCOC(CN)COC;SYWPOMNOGFSZAU-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386179;MM386179;C=CC(=CCCC)CC#N;ORIINJKNKVBGCU-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386180;MM386180;C#CCOC(CCN)OC;YEWDXTLSUFCUJW-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386181;MM386181;C=CC(=CCCO)CC=O;COQWABXWUZNSSI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386182;MM386182;C=CCC(CC)CCCN;MPBGYNJQRJIBCP-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386183;MM386183;C=CC(=CCCF)CC=O;RCALQJVTNHOKGK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386184;MM386184;C=CCC(CC)CCCO;WWPPRJBEONSFCY-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386185;MM386185;C=CCC(C#N)=CCCC;OTPYFOMUYTYACL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386186;MM386186;C=CCC(CC)CCCF;TXUGWNVHXFEHAC-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386187;MM386187;C=CCC(C=O)=CCCO;JGQOYPZDUFRBHA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386188;MM386188;C=CCC(CN)CCCN;OUAYWXRLCMQIDQ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386189;MM386189;C=CCC(C#N)=CCCO;OLADRDGCUUSTRS-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386190;MM386190;C=CCC(CN)CCCO;TWUIVKFCKWFKCK-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386191;MM386191;C=CCC(C#N)=CCCF;AOQSBYFBLMLBSP-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386192;MM386192;C=CCC(CN)CCCF;MUWLJUSJBOIGEA-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386193;MM386193;CCCC=C(C=O)CC#N;BKTLEORVZOFOEV-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386194;MM386194;CC1CC1CC(C)(C)CO;HGBOQDAGACTZKA-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386195;MM386195;N#CCC(C=O)=CCCO;WBHITZXKURWXFY-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386196;MM386196;C=CCC(CO)CCCN;JESIQHPQTODBGR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386197;MM386197;N#CCC(C#N)=CCCO;GHSNOHJPRFZIKJ-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386198;MM386198;N#CCC(CO)CCCO;HSMRTIJYOGXLKO-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386199;MM386199;N#CC(=CCCF)CC=O;VTQIEOWNDWLYKG-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386200;MM386200;C=CCC(CF)CCCN;XVBKQEXRJOJLGB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386201;MM386201;C=CCC(C=C)=CCNC;RFDGTTCAEJMGSE-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386202;MM386202;C=CCC(CF)CCCO;ZFJVPNLWKXAGQH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386203;MM386203;C=CC(=CCNC)CC=O;PSVLLDCITNLHME-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386204;MM386204;C=CCC(CF)CCCF;LWRONPIEIRHQIQ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386205;MM386205;C=CCC(C=O)=CCNC;AFHLXDDMNVOYJW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386206;MM386206;N#CCC(CF)CCCF;PHBQAAOAGBXYIE-UHFFFAOYSA-N;147.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386207;MM386207;CNCC=C(C#N)CC=O;UQAXKCMMVUIPQA-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386208;MM386208;C=CCC(CN)CCNC;GGQRVHPEVSGANY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386209;MM386209;C=CCC(C=C)=CCOC;LRFZOGSHFBAJGG-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386210;MM386210;C=CCC(CO)CCNC;WPIIKMQPBSAWIA-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386211;MM386211;C=CC(=CCOC)CC=O;LONWZQZWIFSZLE-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386212;MM386212;C=CCC(CF)CCNC;WQGZOOWOMFRTIU-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386213;MM386213;C=CC(=CCOC)CC#N;ATUJBVQFFPYZQH-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386214;MM386214;C=CCC(CN)CCOC;ILHQKVCEMPJGSL-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386215;MM386215;C=CCC(C=O)=CCOC;VZMNTWVZWNFEKQ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386216;MM386216;COCCC(CO)CC=O;CEWSJOHOWJELGZ-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386217;MM386217;C=CCC(C#N)=CCOC;FLJIIDSOFWCBKI-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386218;MM386218;C=CCC(CCCC)NC;DGDATXAFJNIAIZ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386219;MM386219;C=CCC(C=O)=CNCC;LUEUHYYACQCIHN-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386220;MM386220;C=CCC(CCCN)NC;HNHDMJOPDNQDFK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386221;MM386221;C=CCC(C#N)=CNCC;IKPUIWLIAANLGM-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386222;MM386222;C=CCC(CCCF)NC;LXZURTBMMABONS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386223;MM386223;C=CCC(C=C)=COCC;VDZRRGNFYCWSEZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386224;MM386224;CCCCC(CC=O)NC;NQVZFSYEGFPQBI-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386225;MM386225;C=CC(=COCC)CC#N;ZECASLAZOWTGEL-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386226;MM386226;C=CCC(CCNC)NC;GLUYYECSRPQBQN-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386227;MM386227;C=CCC(C#N)=COCC;FLCBGVXGXOVCDM-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386228;MM386228;CNCCC(CC=O)NC;NCASDDWZUKYBHR-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386229;MM386229;CCOC=C(C#N)CC#N;ROEWOPXGRQTPSL-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386230;MM386230;COC(CC#N)CCCO;VZDBXNULFHQKEN-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386231;MM386231;C=CC(=CCCN)NC=O;GEZARDQGEBUCPI-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386232;MM386232;COC(CC=O)CCCF;RBSIQWWYTHREQT-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386233;MM386233;O=CNC(C=O)=CCCO;IGYXKXBILXVJDP-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386234;MM386234;C=CCC(CCNC)OC;LZISZMAMXZMSNV-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386235;MM386235;N#CC(=CCCO)NC=O;NISSKEAAMJJFFQ-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386236;MM386236;C=CCC(CC)CNCC;AAZOGJWFILHOPT-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386237;MM386237;CNCC=C(C=O)N=CN;ODWSVFAFNBCGRS-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386238;MM386238;CCNCC(CC)CC=O;BWIFUPZYMRTWOI-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386239;MM386239;CNCC=C(C#N)NC=N;KBUXLIBHPYRMHE-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386240;MM386240;C=CCC(CN)CNCC;FTDOWPBICPITNW-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386241;MM386241;CNCC=C(C#N)NC=O;DZGFWQXALYYQJX-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386242;MM386242;C=CCC(CO)CNCC;PRBVIODUDVDERT-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386243;MM386243;C=CC(=CCOC)NC=O;QIAFRGZLQPGAAH-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386244;MM386244;C=CCC(CF)CNCC;ANHVUGMWVWZZMG-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386245;MM386245;COCC=C(C#N)NC=O;ZBBFGYVEUSPKNG-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386246;MM386246;CCNCC(CF)CC=O;VSZGVSHSIAXRIU-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386247;MM386247;CCNC=C(C#N)NC=N;TXTIAOLXWAEVKA-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386248;MM386248;C=CCC(CNCC)NC;TZYZDDIZSMMKEB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386249;MM386249;C=CC(=CCCN)OC=O;VRITUXDEDUMIOP-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386250;MM386250;CCNCC(CC#N)OC;SLSKCORZLZHNKA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386251;MM386251;C=COC(C=O)=CCCO;YPKYSVXFRILNQN-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386252;MM386252;C=CCC(CN)COCC;FEKRTFNFQJMHMY-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386253;MM386253;C=COC(C#N)=CCCO;UFMCMYWVLBDJKH-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386254;MM386254;CNCCC(CN)NC=N;IMBWLHPPLCFZDO-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386255;MM386255;C=COC(C=C)=CCNC;QSZAYEPAWFGWPY-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386256;MM386256;COCCC(CN)NC=N;GHEIFQHIDOKUKF-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386257;MM386257;CNCC=C(C=O)OC=O;PJECBVSFTIKMRP-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386258;MM386258;COCCC(CF)NC=N;PNXMCCKDPJKXDZ-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386259;MM386259;CNCC=C(C#N)OC=O;WKAWKKLTXHHIPR-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386260;MM386260;COCCC(CF)NC=O;DNXHNEICPBHLKT-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386261;MM386261;C=COC(C=C)=CCOC;ATGIORAEYICFSD-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386262;MM386262;C=NNC(CC)CCCN;AMXRHZRPZJEKCM-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386263;MM386263;C=COC(C#N)=CCOC;HGKKCMFYBUKGSE-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386264;MM386264;CC(C)(CO)CC1CC1F;HNLHUIUGDXNQCB-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386265;MM386265;C=COC(C#N)=CNCC;USRUAMBMRBIROJ-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386266;MM386266;CC#CC(=O)CNN=CC;XIXPUTRQYYDTMN-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386267;MM386267;CCNC=C(C=O)OC=O;LWRIZVIACBAOLT-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386268;MM386268;C=NNC(CO)CCNC;ZFJPHAWWXHMLJU-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386269;MM386269;C=COC(C=C)=COCC;XUIKVOZSJXZVJI-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386270;MM386270;C=NNC(CC)CCOC;NTKXLHYWZBYASG-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386271;MM386271;C=COC(C=O)=COCC;QTBKMDHXAKTHOX-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386272;MM386272;C=NN=CNC(=N)C=NN;CXVIXRLIXNKWDJ-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386273;MM386273;C=COC(C#N)=COCC;HKXUAEUSEJXLDR-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386274;MM386274;CCNCC(CC)NC=N;IVPOLZUORXNPLL-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386275;MM386275;CCNN=C(C#N)CC=O;RNLADBYDRHRFSW-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386276;MM386276;C=NNC(CO)CNCC;YEBFXZHSWUBINN-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386277;MM386277;C=CNC(C=C)=NCCN;PCZHBKXECPYNEY-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386278;MM386278;CCOCC(CN)NC=N;HJKFIICKBYVSRV-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386279;MM386279;C=CNC(C#N)=NCCC;PCWXBXUMAGWGNG-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386280;MM386280;C=NNC(CF)COCC;TYPLPKKMGAAOIJ-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386281;MM386281;CCC(CCCN)OC=O;KAXVOCCQJPQKRI-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386282;MM386282;C=NN(C=N)C(C)=NNC;XCWLTNMHPODVHW-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386283;MM386283;CCCCC(CN)OC=O;CWKPTXBUYABEFM-UHFFFAOYSA-N;145.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386284;MM386284;C#CC(=O)C1NC1CCC;DJEMOQHSKYJUFP-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386285;MM386285;O=COC(CO)CCCF;HPCASICBHVODJO-UHFFFAOYSA-N;150.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386286;MM386286;CNN=CNOCCOC;XSHDPQUBZCCZAL-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386287;MM386287;CCC(CCNC)OC=O;GXMPMQTWHFBZQT-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386288;MM386288;C#CCCONC=NNC;QIGPWOZKHKGVFO-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386289;MM386289;C=COC(CN)CCOC;USASCFARKMBFKD-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386290;MM386290;C=CCC=C(C=C)CC=C;OPHWSEHVNPQPOF-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386291;MM386291;C=NOC(CN)CCOC;HDPJESRSSVVSJJ-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386292;MM386292;C=CCC=C(C=C)CC=O;NDOKAUGKOIHXJC-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386293;MM386293;COCCC(OC)OC=O;NBGCSEHKKSNNAQ-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386294;MM386294;C=CCC=C(C=C)CC#N;MDZBSBYHAPBGGU-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386295;MM386295;C=COC(CN)CNCC;SBNVLTNTXZEEQD-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386296;MM386296;C=CC(=CCC=O)CC=O;HMLWEEGSSBYKBD-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386297;MM386297;C=COC(CO)CNCC;RRVDIBLJWZMBKC-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386298;MM386298;C=CC(=CCC#N)CC=O;IJFXPKOLKPNIFD-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386299;MM386299;CCNCC(CF)OC=O;IKSDNQWYMOTVEA-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386300;MM386300;C=CCC=C(C=O)CC=C;UOSPCGIEPCFHRK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386301;MM386301;C=COC(CNCC)OC;JBCCYAHLUZBXKA-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386302;MM386302;C=CCC=C(C#N)CC=C;VLSRAONWAWHGLO-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386303;MM386303;CCOCC(CO)OC=O;CJBRKSMFIVAPFM-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386304;MM386304;C=CCC(C=O)=CCC=O;USMTYZFMCQHQOK-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386305;MM386305;CNN=C(N)C(=O)C=CN;NQCJCPHKLGOKPX-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386306;MM386306;C=CCC(C#N)=CCC=O;YICDKSSGAYRPRF-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386307;MM386307;C=COC(COCC)OC;FSGIKGQYZMAYCX-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386308;MM386308;C=CCC(C=O)=CCC#N;YHULASYTANJASK-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386309;MM386309;C=CCC(CC)NCCC;WHXFYJKYSCPYNV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386310;MM386310;C=CCC(C#N)=CCC#N;VOKLYZDMQQMSPM-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386311;MM386311;C=CCC(CC)NCCN;JBQHOTKIXFJLAR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386312;MM386312;N#CCC(C=O)=CCC=O;ZDUGXWRSYMDKCS-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386313;MM386313;C=CCC(CC)NCCO;GWFZGKJTIAWVPL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386314;MM386314;N#CCC=C(C=O)CC#N;XLNVFZDLVXHVQA-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386315;MM386315;C=CCC(CC)NCCF;OOTUQMGSVBSMFL-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386316;MM386316;C=CCC(C=C)=CNC=N;SVVVQGDYZYRUKQ-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386317;MM386317;CCCNC(CC)CC=O;FQHRWTNBILICST-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386318;MM386318;C=CCC(C=C)=CNC=O;QLDLDOSUWJPEBL-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386319;MM386319;CCC(CC=O)NCCF;OAMIVWWXBXDHOT-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386320;MM386320;C=CC(=CNC=N)CC#N;NUVKSGQSXZLFSM-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386321;MM386321;C=CCC(CN)NCCC;RQRLXAWCPVGPSC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386322;MM386322;O=CCC(C=O)=CNC=O;SXRJMKRSKIHMCL-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386323;MM386323;C=CCC(CN)NCCO;XBLAOBAFHRNZTD-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386324;MM386324;N#CCC(C#N)=CNC=O;NBMYENWLQWUXPC-UHFFFAOYSA-N;135.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386325;MM386325;N#CCC(CF)NCCF;ASTFGIFYGMELMM-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386326;MM386326;CNN=CNOCC=NN;SGPCFTGSFPERQL-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386327;MM386327;C=CCC(CC)OCCN;IKCCYAFFKSMFRM-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386328;MM386328;C=NN=CNNC=NN=C;VGCDEECABVXPDP-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386329;MM386329;N#CCC(CO)OCCF;NUNWURMGQKMLDL-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386330;MM386330;C=CCC(C=C)=COC=C;FVXFYOCEUWPUIG-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386331;MM386331;C=CCC(CF)OCCN;FOUUQBXTMQWAPR-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386332;MM386332;C=CCC(C=C)=COC=O;WYUUFEHEEMOKQJ-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386333;MM386333;C=CCC(CF)OCCO;WJCDBTXQZXFCJO-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386334;MM386334;C=COC=C(C=C)CC#N;VRHRIRAXHMYEJO-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386335;MM386335;O=CCC(CF)OCCO;AFTARUPLXNCVJF-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386336;MM386336;C=CC(=COC=O)CC=O;MOYUVQKMPVTMEI-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386337;MM386337;C=CCC(CC)OCOC;IMVNIZZXPZWBIK-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386338;MM386338;C=CC(=COC=O)CC#N;UFXQYAMPXYSCIM-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386339;MM386339;COCOC(CF)CC=O;RHJWFFOAAISUOI-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386340;MM386340;C=CCC(C=O)=COC=O;CENLHUARVHCGHC-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386341;MM386341;C=CCC(OC)OCCO;VYHFHRMIQFPSAI-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386342;MM386342;C=COC=C(C#N)CC#N;AGIBHUGRKXSHJW-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386343;MM386343;CCCOC(CC#N)OC;WVTOCOMPNYDODH-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386344;MM386344;C=CC(=CCC#N)NC=N;DDUZJIYPTTYSPL-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386345;MM386345;C=COC(CN)OCCC;NJWLHTUMIXOTEU-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386346;MM386346;N#CCC=C(C=O)NC=N;RULQTEMXGGIYJH-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386347;MM386347;C=COC(CN)OCCF;XYFWECOBOPYRSV-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386348;MM386348;N#CC(=CCC=O)NC=O;CSIJKDOSHTVIHF-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386349;MM386349;C=COC(CO)OCCN;HKBMBGDJPYHVCT-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386350;MM386350;C=CC(=CNC=O)NC=O;CRRBLLXSMNXLRR-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386351;MM386351;C=COC(CO)OCCO;KYDJQJRRTJYMIF-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386352;MM386352;N=CNC(C=O)=CNC=O;TWRJQPHRGNPLHJ-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386353;MM386353;O=COC(CO)OCCO;CUDMBDGOBMWALP-UHFFFAOYSA-N;150.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386354;MM386354;C=COC(C=C)=CCC#N;FZVVQHDLADQPDB-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386355;MM386355;C=COC(CF)OCCN;AROJZWPDZLEQLH-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386356;MM386356;C=COC(C=O)=CCC#N;BDTZOFINFGUVEM-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386357;MM386357;C=COC(CF)OCOC;IWQKJCLPCGTEDH-UHFFFAOYSA-N;150.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386358;MM386358;C=COC(C#N)=CCC#N;FLNVANZNLKTFOP-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386359;MM386359;C=NOC(CO)OCCN;XEQAYJFDGQTUNT-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386360;MM386360;C=COC(C=C)=CNC=N;HFDRTEZEDAVRCE-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386361;MM386361;CNN=C(C)N(N)C=NN;LMEKOHKUOSJQJQ-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386362;MM386362;C=COC(C=C)=CNC=O;YEMXRAPLXWFXLR-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386363;MM386363;CNN=C(C=NN)NOC;PYSFHSYVJHLWMO-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386364;MM386364;C=COC(C=O)=CNC=N;FAKXPEYKFWQHIO-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386365;MM386365;C=NOC(CF)OCOC;IOOSLUXWYNLHKP-UHFFFAOYSA-N;151.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386366;MM386366;CC(O)CC1(C)CC1;BOHVBXCXLRBDSD-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386367;MM386367;C=CCN(CC)CCNC;IUQZVMBDSNRBEW-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386368;MM386368;C=COC=C(C=O)OC=C;AMPKJGPWNVUURE-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386369;MM386369;CCN(CC#N)CCNC;NIJAPLAWRDENIQ-UHFFFAOYSA-N;141.22;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386370;MM386370;C=COC=C(C#N)OC=C;JQUQCESTALXHDP-UHFFFAOYSA-N;137.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386371;MM386371;CCN(CCCN)NC=N;SNGOVDCMTSSOIB-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386372;MM386372;C=COC(C#N)=COC=O;HYYRARWBQMCCDM-UHFFFAOYSA-N;139.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386373;MM386373;CNN=c1oc(=O)on1C;RZAMVVNTPODIOA-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386374;MM386374;C=COC=C(C#N)OC=O;REWMKBLWPITWAM-UHFFFAOYSA-N;139.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386375;MM386375;CCN(CCNC)NC=N;RSYHGBWSJVPYPO-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386376;MM386376;O=CCC(C=O)=NNC=O;UGKJXDIVDLHBSC-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386377;MM386377;C=CC1(O)CC1C(C)CC;PYSBUJBJQUOXBG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386378;MM386378;N#CC(CC=O)=NNC=O;KUXQSOSVDYXKPS-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386379;MM386379;C=CCCC(CC)CC=C;KBQNWGOAFOBWRP-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386380;MM386380;O=CCC(C=O)=NOC=O;RSEKNWODMSVOEK-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386381;MM386381;C=CCC(CC)CCC=O;GAVTXJGLKJOUIR-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386382;MM386382;N#CC(CC=O)=NOC=O;CYROFYJSULQSMA-UHFFFAOYSA-N;140.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386383;MM386383;C=CCC(CF)CCC=O;JXTMUFCZBXJMEQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386384;MM386384;C=CCN=C(C#N)NC=C;DILQHRSUTNRRQM-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386385;MM386385;C=CCCC(CF)CC=O;PCOPDQFDEHKLHU-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386386;MM386386;CC=CC(O)C(C)C;WFRYPJOHULJNDS-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386387;MM386387;O=CCCC(CF)CC=O;SFTRXQVPDQNKQG-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386388;MM386388;C=CN=C(C#N)NNC=N;HZCOWKGYTOMJIU-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386389;MM386389;C=CCC(CCC=O)NC;DCMKIHRMICSPBM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386390;MM386390;C=CN=C(C#N)NNC=O;OVHXBSGRZMRXFX-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386391;MM386391;C=CCCC(CC=O)NC;AAHGWXLTBDWTCG-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386392;MM386392;C=COC(C=C)=NNC=O;WGCYNMOVJQVXBH-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386393;MM386393;C=CCC(CN)CNC=O;AWGFULLOHGVAME-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386394;MM386394;C=CC(=NNC=O)OC=O;JETSTCFLPPTXTI-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386395;MM386395;N#CCC(CO)CNC=N;CJUUAQLGYQQZGH-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386396;MM386396;CC1=CC2CC2(O)C1;WAYAWGIXCJCGKU-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386397;MM386397;N#CCC(CO)CNC=O;LUBCTGZIHAYCSJ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386398;MM386398;C=COC(C=C)=NOC=O;OBHIEPVBVKZAGE-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386399;MM386399;C=CCC(CF)CNC=N;JTULTVODUBAQRL-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386400;MM386400;C=CC(=NOC=O)OC=O;UZGUPEHKQYOSEL-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386401;MM386401;C=CCC(CC)CNN=C;NZCUMHVSYPVWRZ-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386402;MM386402;C=COC(C#N)=NOC=O;SLLRNMVEXBOYPG-UHFFFAOYSA-N;140.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386403;MM386403;C#CC1(C)C=CC(O)C1C;IAYMNNMITCPYNT-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386404;MM386404;C#CCC=C(C=C)CC#N;KMOYQHGLWKWRIW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386405;MM386405;C=CCC(CF)CNN=C;YNSHGXACZYOOPN-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386406;MM386406;C#CCC=C(C#N)CC=C;MJUPPNRRTFMBFF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386407;MM386407;C=CCC(CNC=N)NC;HIOXSRSSWAYHIN-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386408;MM386408;C#CCC=C(C#N)CC#N;USDCXEPLKKBYCT-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386409;MM386409;C=CCC(CNC=O)NC;MGFDVDSCFSJOLT-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386410;MM386410;C#CCC=C(C=C)NC=O;LTKIGHMRYHFMOZ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386411;MM386411;C=NNCC(CC=O)NC;SDGBLJODOBHLIF-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386412;MM386412;C#CCC=C(C=O)NC=N;VELGHLJIJBSPGM-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386413;MM386413;C=CCC(CNC=N)OC;VVNPBOKRKRJVRS-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386414;MM386414;C#CCC=C(C#N)NC=N;QFBDTBCQFYSOGF-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386415;MM386415;COC1=NNC(C)(C=O)C1;IFFJEWCDAYHPEW-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386416;MM386416;C#CCC=C(C=C)OC=C;LJFAKZUCBTVJEP-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386417;MM386417;C=CCC(CC)COC=C;GTSOXRHUMSLMHZ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386418;MM386418;C#CCC(C=C)=CCCC;RAKNOMUGBWDASD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386419;MM386419;C=COCC(CC)CC=O;PYQQQPOPANWXTQ-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386420;MM386420;C#CCC(C=C)=CCCO;ZKLXFINBZVTQTN-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386421;MM386421;C=CCC(CO)COC=C;OIPDPJXQLWLVSL-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386422;MM386422;C#CCC(C#N)=CCCC;ZPZKOJCRTLYRSM-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386423;MM386423;C=CCC(CF)COC=O;YBUJHCRWMRNWAZ-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386424;MM386424;C#CCC(C#N)=CCCO;IYUPWWFBFNEUDI-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386425;MM386425;O=CCC(CF)COC=O;ILIWRLLLUMQRKT-UHFFFAOYSA-N;148.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386426;MM386426;C#CCC(C=O)=CCCF;CFXDONSHLPLDEN-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386427;MM386427;C=COCC(CC#N)OC;JDQYOGYMFPNJNR-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386428;MM386428;C#CCC(C#N)=CCCF;RQVHTLTWNRCPCE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386429;MM386429;COC(CC=O)COC=O;LEAXSXKMWHEWBU-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386430;MM386430;C#CCC(C=C)=CCNC;WAZAZYMWWZDTBM-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386431;MM386431;C=CC(=O)N=C(NN)OC;PJMYLLXOCNKSHZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386432;MM386432;C#CCC(C=C)=CCOC;QBTHWFYDZGUMKB-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386433;MM386433;C=CCCC(CN)NC=N;JEIMJIIADHRXNS-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386434;MM386434;C#CCC(C#N)=CCOC;JFQJFNKGKRGTDD-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386435;MM386435;N#CCCC(CO)NC=N;NGGQXQBLQDZDLL-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386436;MM386436;C#CCC(C=C)=COCC;QTDKNCJZDXJIMD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386437;MM386437;N#CCCC(CO)NC=O;ZFKJUQVLZIELDR-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386438;MM386438;C#CCC(C=C)=NNCC;SIMQHLXIOMZEMX-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386439;MM386439;N=CNCC(CO)NC=N;ZVMLASAJUJOWDG-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386440;MM386440;C#CCC(C=C)=NOCC;QKTIMUUBZGEQEF-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386441;MM386441;CCC(COC=O)NC=O;OGXSDSXXTJJEDR-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386442;MM386442;C#CCC(C=C)=CCC=C;LEMXWEHYMWZJOX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386443;MM386443;C=COCC(CN)NC=N;VYJOYZJNWBODHZ-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386444;MM386444;C#CCC(C=C)=CCC=O;DYSURFBZMDSZIR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386445;MM386445;O=CNC(CO)COC=O;GYNPADPNBHRKIZ-UHFFFAOYSA-N;147.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386446;MM386446;C#CCC(C=O)=CCC=C;BQTYZUHBSWORAT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386447;MM386447;C=COCC(CN)NN=C;VAVHGBRWPGHPOG-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386448;MM386448;C#CCC(C#N)=CCC=C;ZWVHVBZRGBFDHT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386449;MM386449;C=COC(CF)CNC=O;JERCBUIYCMPUCY-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386450;MM386450;C#CC1(C#C)CC1C(C)O;BFTFARSCVCKMEM-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386451;MM386451;C#CCC(C#N)=CCC=O;SDDKCFIJCPHBMG-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386452;MM386452;C=NNCC(CC)ON=C;JJZLEIYXAHNADU-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386453;MM386453;C#CCC(C#N)=CCC#N;CNVJZTIUWDRUPJ-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386454;MM386454;COC(CNC=O)OC=O;IIDKTLIHUFQRDV-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386455;MM386455;C#CCC(C=C)=CNC=N;FMBKQPOEVVKAKY-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386456;MM386456;CCN(C(C)=O)C(C)C=O;KVGHCPQSFAPBFI-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386457;MM386457;C#CCC(C=C)=CNC=O;MXOZJFHYAVIKCB-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386458;MM386458;C=COCC(CN)OC=C;CBZIGQUSDKDXES-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386459;MM386459;C#CCC(C=O)=CNC=O;GFIBHDPSOGFWCS-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386460;MM386460;O=COCC(CF)OC=O;OMALHWNSGLONQH-UHFFFAOYSA-N;150.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386461;MM386461;CC1CCC1(C)CO;DOUHFCRCUFTNST-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386462;MM386462;C=COCC(CN)ON=C;OFRVVHLRCLHIJS-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386463;MM386463;C#CCC(C=C)=COC=C;HOVDLLYUWPMLRG-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386464;MM386464;C=NOCC(CN)ON=C;XLGYRYWOJMIHHZ-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386465;MM386465;C#CCC(C=C)=COC=O;BRTNUUUXRORVNF-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386466;MM386466;C=COCC(OC)OC=C;WFTGHJNOFWXAHW-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386467;MM386467;C#CCC(C#N)=COC=C;TXQIFYYTGDQJQW-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386468;MM386468;C=C(C)C(C)C1C(C)C1O;OHSQFUIDSFPKTN-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386469;MM386469;C#CCC(C#N)=COC=O;KKSYFLCSQMPCPB-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386470;MM386470;CCC(CC#N)NCC#N;HHRQNQLJOREPPU-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386471;MM386471;CC1(CF)NC1C=O;AZJQEXFUKHYOMT-UHFFFAOYSA-N;117.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386472;MM386472;C=CCC(CF)NCC#N;GOUFZCKKRJXXRJ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386473;MM386473;C#CCC(C#N)=NOC=O;HGOZHMCODHGRGF-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386474;MM386474;CCC(CC#N)NNC=N;DEYUCAGMNGYPJF-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386475;MM386475;C#CCC=C(C=C)CC#C;UHVBQTGFWWARLB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386476;MM386476;C#CC12CC(O)CC1C2C;XTCLJTSOXZJVKB-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386477;MM386477;C#CC(=CCCC)CCC;UKBFOLTWUZMZKM-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386478;MM386478;C=CCC(CN)NNC=O;ODMAEGOSPUXOBJ-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386479;MM386479;C#CC(=CCCO)CCC;WJGAHSPOFGDSCR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386480;MM386480;C=CC1(CO)CC1CCC;VXYVVKZWHABFNF-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386481;MM386481;C#CC(=CCCF)CCC;NOQDIDIQJAVVRS-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386482;MM386482;O=CCOC(CO)CC=O;CUYHPBPRMKHBLK-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386483;MM386483;C#CC(=CCCN)CCF;QBMIHDBJTZEYAB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386484;MM386484;N#CCOC(CO)CC=O;MNQSCRWOHWYAOC-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386485;MM386485;C#CC(=CCNC)CCC;GFLBQNYDIJSWHX-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386486;MM386486;N#CCOC(CO)CC#N;WNTSAAFDTQUERU-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386487;MM386487;C#CC(=CCNC)CCF;UHKNQTCGHOTYRI-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386488;MM386488;C=CCC(CF)OCC=O;WWKBORZSFXHASX-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386489;MM386489;C#CC(=CCOC)CCC;PRRQFADDHYDWHB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386490;MM386490;C=CCOC(CC#N)OC;UEMNQAYHIQNNDM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386491;MM386491;C#CC(=CCCF)CNC;GEGUISSDQYLPEL-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386492;MM386492;C=CCC(CC)ONC=O;DWKVJQRCIPSXKS-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386493;MM386493;C#CC(=CCNC)CNC;BALZPAFNDCUDMF-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386494;MM386494;C=CCC(CN)ONC=O;BUSVKGHEEIHHFC-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386495;MM386495;C#CC(=CCCN)COC;MASUPJHXLNORQA-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386496;MM386496;N#CCC(CO)ONC=N;TXNDSGZWKPDALT-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386497;MM386497;C#CC(=CCCO)COC;SWSGOYQPNHHOCR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386498;MM386498;N#CCC(CO)ONC=O;WXZSQWNTHDXXFV-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386499;MM386499;C#CC(CCC)=NNCC;AQHPTAYSFNDZHH-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386500;MM386500;C=CCOC(CO)OC=C;GBYQGPJHCYJFBL-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386501;MM386501;C#CC(CCC)=NOCC;ILPOYIRIXUSYEM-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386502;MM386502;N#CCOC(CO)OC=O;QNLBJBZZYIWHSJ-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386503;MM386503;C#CC(CCN)=NOCC;LAFGHEXPRUCOPT-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386504;MM386504;C=COC(CF)OCC=O;FQDSPMCHKRUPCE-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386505;MM386505;CC1(CO)C=CCC1;NHUJFFJPKSJOLB-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386506;MM386506;C=COC(CF)OCC#N;QMWOPMUIBBASQR-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386507;MM386507;C#CC(=NOCC)OCC;RMPFEVGWHBMYRV-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386508;MM386508;C=C1NC(C=O)=NCC1F;ZKGAXYVTPIEVDU-UHFFFAOYSA-N;142.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386509;MM386509;C#CC(=CCC=C)CCC;YRXAAUYXQJHPPJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386510;MM386510;C=COC(CC)ONC=N;BUQPUCRQWWIUCU-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386511;MM386511;C#CC(=CCC#N)CCC;WKZIRTXSIWDXJQ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386512;MM386512;CCC(OC=O)ONC=O;WYYXQXFCSXSPJY-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386513;MM386513;C#CC(=CCC=C)CCN;WWMHEEQLXUGMRX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386514;MM386514;C=COC(CO)ONC=O;VCNKXZVGFNFQGK-UHFFFAOYSA-N;147.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386515;MM386515;C#CC(=CCC#N)CCO;MYXQXIGNHOFIJE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386516;MM386516;O=CNOC(CO)OC=O;CRYUDKKRPPWIJT-UHFFFAOYSA-N;149.1;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386517;MM386517;C#CC(=CCC=C)CNC;FMOATICZCLRFCB-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386518;MM386518;C=COC(CF)ONC=N;DBQXQHFOIOOADR-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386519;MM386519;C#CC(=CNC=N)CCC;BZYIUROIXWXDLC-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386520;MM386520;C=NOC(CC)ONC=N;STSIFYFYJIUELK-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386521;MM386521;C#CC(=CNC=O)CCC;FSKBHOPQWOKJBK-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386522;MM386522;C=NOC(CF)ONC=N;LDHHOCJHZNIUGR-UHFFFAOYSA-N;149.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386523;MM386523;C#CC(=CNC=O)CCN;ZCOQDMPBYXWUEI-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386524;MM386524;C=CCCN(CC)CC=C;URVMQKFWRIUYNC-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386525;MM386525;C#CC(=CNC=N)CCO;LSVJURMKOBLSSR-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386526;MM386526;C#CC1CC2CC2(O)C1=C;MNNUEXUREMMBBQ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386527;MM386527;C#CC(=CNC=O)CCO;IJUSOLIDCFJZNX-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386528;MM386528;CCN(CCC=O)NC=O;CTVLASVFCHYKHB-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386529;MM386529;C#CC(=CNC=O)CCF;CHWXSNUQGKLGPX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386530;MM386530;C#CCCC(CC)CC=C;LVARKEINXKINLW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386531;MM386531;C#CC(=CNC=N)COC;ZKHQBNYLJKZLJU-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386532;MM386532;C#CCCC(CN)CC=C;FQEBSESIJSAZRY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386533;MM386533;C#CC(=COC=C)CCC;IHLTUZVZXHPWEE-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386534;MM386534;C#CCCC(CF)CC=O;SFBUVUMAXYXXIY-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386535;MM386535;C#CC(=COC=O)CCC;WJXPMZCSTCZZTC-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386536;MM386536;C#CCCC(CC=C)NC;WEHKKDWZOWJUJJ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386537;MM386537;C#CC(=COC=C)CCN;RUSPRYBPOWXXJX-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386538;MM386538;C#CCCC(CC)NC=N;LXZFCVZMDAOTAB-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386539;MM386539;C#CC(=COC=O)CCO;ZEXNJURLFOUCLM-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386540;MM386540;C#CCCC(CN)NC=N;QZRZKPKZVQMLBI-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386541;MM386541;C#CC(=COC=O)CNC;ZHEZBIFATOCHHR-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386542;MM386542;C#CCCC(CC)NN=C;INJSWHGWEBYIQU-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386543;MM386543;C#CC(=COC=C)COC;LGGLOEDUUNSCEP-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386544;MM386544;C#CCCC(CO)OC=C;LJRBVGQAUMTIHE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386545;MM386545;C#CC(=COC=O)COC;YZZBBNZKFRLMTH-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386546;MM386546;CC=C1C=C(C)C2(O)CC12;XZVOFRLAONKACS-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386547;MM386547;C#CC(=CCC=O)OCC;BCOQDVGQLPJVLF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386548;MM386548;C=CC12CN(C)C(=O)C1N2;KQXRHFUOOXATFD-UHFFFAOYSA-N;138.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386549;MM386549;C#CC(=CNC=N)OCC;NYXLGTXSCYIYIP-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386550;MM386550;C#CCNC(CF)CC#N;FPHIGZGGTLVGMH-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386551;MM386551;C#CC(CCC)=NOC=O;DTKJNXBKCKJKMN-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386552;MM386552;C#CCOC(CO)OC=O;WAVQHSAEXKOBNG-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386553;MM386553;C#CC(=NNC=O)OCC;GUWWMWSPXDKHRB-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386554;MM386554;C#CCOC(CF)OC=O;PMWOYAPERKSZJG-UHFFFAOYSA-N;146.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386555;MM386555;C#CCC=C(C#C)CCN;TTYAYECEUFYENF-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386556;MM386556;C#CCC(CC)CCCC;AVMICIAPOZYFNP-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386557;MM386557;C#CCC=C(C#C)CCO;QKNWQTWOXREPPX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386558;MM386558;C#CCC(CC)CCCO;XUWYJZZJSBTTRA-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386559;MM386559;C#CCC=C(C#C)OCC;ZOSWWMUHVSNCSV-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386560;MM386560;C#CCC(CN)CCCN;CYQXJOBMHKAUTI-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386561;MM386561;C#CC(=CCCC)CC=C;AUEMOZROHQZFKO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386562;MM386562;C#CC1CC=C(C=C)C1O;YLOVWHWGCULKHP-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386563;MM386563;C#CC(=CCCN)CC=C;JUYKIWOMYCPJCI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386564;MM386564;C#CC(CF)C1NC1C#C;YLVBGYHWSWXPQG-UHFFFAOYSA-N;137.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386565;MM386565;C#CC(=CCCO)CC=C;TWHWJKYPQSIYIS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386566;MM386566;C#CCC(CF)CCCN;WWMSBJYZTPFPQQ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386567;MM386567;C#CC(=CCCF)CC=C;XWMSSDPNBJRGBX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386568;MM386568;C#CCC(CF)CCCO;SVYOCXKLIWXUJB-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386569;MM386569;C#CC(=CCCC)CC=O;CKRBJARASSSGKO-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386570;MM386570;C#CCC(CC)CCNC;SOZRSCXJUUKBJM-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386571;MM386571;C#CC(=CCCC)CC#N;FUWVXWWJEYWSGS-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386572;MM386572;C#CCC(CF)CCNC;FVPHSYFJNSJWOQ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386573;MM386573;C#CC(=CCCO)CC#N;PLNMGZFKKBBMLC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386574;MM386574;C#CCC(CC)CCOC;LNCLKVDFYGXBQB-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386575;MM386575;C#CC(=CCCF)CC#N;BFMLOCHTZXVBRL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386576;MM386576;C#CCC(CN)CCOC;GXKXLUGRWRXFKB-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386577;MM386577;C#CC(=CCNC)CC=C;LIOVFSPMTDLPMS-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386578;MM386578;C#CCC(CCCN)NC;XMITUNISPZTJPH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386579;MM386579;C#CC(=CCOC)CC=C;KZYHUXQMTQSTQZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386580;MM386580;C#CCC(CCCF)NC;RDKKXUFHXGWCQG-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386581;MM386581;C#CC(=CCOC)CC#N;ALEUOFQGOLTKAB-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386582;MM386582;C#CCC(CCNC)NC;SICOXPZMFCOCQV-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386583;MM386583;C#CC(=COCC)CC=C;GXCFLDAWEZHMRK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386584;MM386584;C#CCC(CCOC)OC;MQYQJXKBPRCTGG-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386585;MM386585;C#CC(=COCC)CC#N;NBQJVWOXYIBDGJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386586;MM386586;C#CCC(CF)CNCC;PCIRAFGSUQQOMN-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386587;MM386587;C#CC(=CCCN)NC=N;IMNCZYPIZZXBAN-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386588;MM386588;C#CCC(CNCC)NC;FJMDTTYZWGRDAP-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386589;MM386589;C#CC(=CCCO)NC=N;SXMNDHZIAXLNQF-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386590;MM386590;C#CCC(CNCC)OC;QTUTVHAJXWXMQV-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386591;MM386591;C#CC(=CCCC)NC=O;DHGBNTPJAQZIBW-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386592;MM386592;C#CCC(CC)COCC;UNKYMFLMMPFVDV-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386593;MM386593;C#CC(=CCCN)NC=O;LAUXJXHCKQXVQU-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386594;MM386594;C#CCC(CN)COCC;SWGKWYAUCLQFLJ-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386595;MM386595;C#CC(=CCNC)NC=O;JOGGBKSFHMMPHC-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386596;MM386596;C#CCC(CC)NCCC;QQOYVYCPVXFPFT-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386597;MM386597;C#CC(=CCCN)OC=C;LHNSZPCGWYRQSF-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386598;MM386598;C#CCC(CC)NCCF;LJPZTOXPBOYBCM-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386599;MM386599;C#CC(=CCCO)OC=C;SNUFXTYIDOUWQI-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386600;MM386600;C#CCC(CN)NCCN;UDISUZWDRGDNKN-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386601;MM386601;C#CC(=CCNC)OC=C;AUSKIOVMABLKGX-UHFFFAOYSA-N;137.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386602;MM386602;C#CCC(CN)NCCO;MZSFPNGJJHVMRS-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386603;MM386603;C#CC(=CCOC)OC=C;UAAPJSWBBKQUFE-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386604;MM386604;C#CCC(CO)NCCN;XZFWMNJZLLIQGG-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386605;MM386605;C#CC(=NCCO)NC=C;QOSOOUYWLCMMAY-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386606;MM386606;C#CCC(CF)NCCN;KZMREQDTQHUOSI-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386607;MM386607;C#CC(=NOCC)OC=C;ICXAZJPEROIETC-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386608;MM386608;C#CCC(CC)OCCF;KRNPZEDWFGEMMT-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386609;MM386609;C#CC(=CCC=C)CC=C;FIHTTWRTHJIAFQ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386610;MM386610;C#CCC(CN)OCCC;IPYKRELSDREEQX-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386611;MM386611;C#CC(=CCC=O)CC=C;ISQYBKCWFKIACV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386612;MM386612;C#CCC(CO)OCCF;NTLFJBCNWSSNRV-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386613;MM386613;C#CC(=CCC#N)CC=C;BOIQFFCEOPTKAO-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386614;MM386614;C#CCN(CC)CCCO;GPVDCRHUQGQCID-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386615;MM386615;C#CC(=CCC=C)CC#N;ITPRSMDSVZMKAJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386616;MM386616;C#CCC(CC)CCC=C;LKXJMXXUQPAQRA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386617;MM386617;C#CC(=CCC#N)CC#N;PLAXENFEVUWCKW-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386618;MM386618;C#CCC(CC)CCC=O;FQTFSVZONJTEKP-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386619;MM386619;C#CC(=CNC=O)CC=C;DPWXCLJORFCBRE-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386620;MM386620;C#CCC(CC)CCC#N;IHWOHYHRDRGUDI-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386621;MM386621;C#CC(=COC=C)CC=C;PRHJQCRABYYLPU-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386622;MM386622;C#CCC(CN)CCC=C;LMROOIBSXBYHKI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386623;MM386623;C#CC(=COC=O)CC=C;PPESYQUYRAFYJP-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386624;MM386624;C#CCNN=c1occo1;KTIRQRLYJNNIGY-UHFFFAOYSA-N;138.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386625;MM386625;C#CC(=COC=C)CC#N;NGOPOKZSGOFPFU-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386626;MM386626;C#CCC(CF)CCC=O;WHQKJHVFZVQYFQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386627;MM386627;C#CC(=COC=O)CC#N;RPHODUWTTVFQHR-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386628;MM386628;C#CCC(CC)CNC=N;FZVCKXQXRSEWKF-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386629;MM386629;C#CC(=CNC=N)NC=N;MECSLOZCNXTMOX-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386630;MM386630;C#CCC(CN)CNC=O;VMVPPYCJNXTXDX-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386631;MM386631;C#CC(=CNC=O)NC=N;JPGKNEDAZOSYKD-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386632;MM386632;C=CC(CC)C1C(C)C1O;ONUYRJSEIZKSRN-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386633;MM386633;C#CC(=CNC=O)NC=O;YBXKMTKAPOYPHC-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386634;MM386634;C#CCC(CC)CNN=C;FEEKZFZQFKUQOT-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386635;MM386635;C#CC(=COC=C)OC=C;XDPIBDKHCCZMLZ-UHFFFAOYSA-N;136.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386636;MM386636;C#CCC(CF)CNN=C;FUWMJHDHSBEIJX-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386637;MM386637;C#CC(=COC=O)OC=C;WOWSKZFLUHJFCB-UHFFFAOYSA-N;138.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386638;MM386638;C#CCC(CNC=N)NC;ONLZGPRAUJPRGC-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386639;MM386639;CCC1(CO)CCC1;MFAVFTVSWZTMIC-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386640;MM386640;C#CCC(CNN=C)NC;IXGDSXKKSMFIDL-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386641;MM386641;C#CC(=NC=C)NNC=N;OMCXXIFRZXXLQA-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386642;MM386642;C#CCC(CC)COC=C;YGEBBEQLDUTENL-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386643;MM386643;C#CC(=NC=C)NOC=O;JACLELXWOSGNMZ-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386644;MM386644;C#CCC(CN)COC=C;RUVWILAUWLLCFI-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386645;MM386645;C#CC(=NOC=O)OC=O;LZYULDLLXNRLGY-UHFFFAOYSA-N;141.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386646;MM386646;C#CCC(CC)CON=C;SBOPXANVLJCBKJ-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386647;MM386647;C#CCC=C(C#C)CC=C;NIURMFNTAGBUIO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386648;MM386648;C=NN=CCCOCC=O;XVYPUJCKCQZVHD-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386649;MM386649;C#CCC=C(C#C)CC#N;BANCSKVMHWEQOE-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386650;MM386650;C#CCC(CC)NCC#N;IIVRRIQLDRMGQA-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386651;MM386651;C#CCC=C(C#C)NC=N;MUNFQWWQLKQPDJ-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386652;MM386652;CNC(C#N)C#CC1CO1;HAFYSJPFTKLAKO-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386653;MM386653;C#CCC(CN)NNC=O;LNBBMOHNMBJARC-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386654;MM386654;C#CCC=C(C#C)NC=O;WZQMYVGHUKMBEL-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386655;MM386655;C#CCC(CC)OCC#N;GZSOAMCZHAEZMF-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386656;MM386656;C#CCC(C#C)=CCCC;SPVPEGHVAZROPK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386657;MM386657;C#CCC(CC)ONC=O;KJIBVMZWLWYPQA-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386658;MM386658;C#CCC(C#C)=CCCN;FBHWSGNWVVTLGB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386659;MM386659;C#CCN(CC)CCC=C;PCPUIWAWOJCGHK-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386660;MM386660;C#CCC(C#C)=CCCO;JKPBRAQKURFMTK-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386661;MM386661;C#CCN(CC)CCC#N;KJUVHJBFQXDONR-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386662;MM386662;C#CCC(C#C)=CCCF;VDCYTBGXMNRRKL-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386663;MM386663;C#CCCC(CC)CC#C;BRHAEIPANOVSQU-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386664;MM386664;C#CCC(C#C)=CCNC;YKONZPZDLWRNEL-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386665;MM386665;C#CCCC(CN)CC#C;RYONNLNHLXMRGZ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386666;MM386666;C#CCC(C#C)=CCOC;GDQWGMCRMZQPHO-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386667;MM386667;C#CCCC(CC#C)NC;UEJUQBAUKAHRMA-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386668;MM386668;C#CCC(C#C)=COCC;JHHCHJDAFZHYOA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386669;MM386669;C#CCCC(CC#C)OC;YNSBPDFHIXMPGH-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386670;MM386670;C#CCC(C#C)=CCC=C;HCISZWRCULWXFG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386671;MM386671;C#CCOC(CO)CC#C;VMSSEFXZPWQNGQ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386672;MM386672;C#CCC(C#C)=CCC=O;MHCKHMWKLKQMIT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386673;MM386673;C#CCCN(CC)CC#C;WASBWCPWNIMVJU-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386674;MM386674;C#CCC(C#C)=CCC#N;KJGPQNPVLOWZGK-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386675;MM386675;C=CC(CCC)CCCC;NLQJOZYIKJQMSO-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386676;MM386676;C#CCC(C#C)=COC=C;SUBWUBOZTXZHKY-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386677;MM386677;C=CC(=C)CC(C)O;HHQQFJVNLOLQAM-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386678;MM386678;C#CCC(C#C)=COC=O;BVIRVWNDEKQOFC-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386679;MM386679;CCn1cc(N)nn1;QQTFIQIFWFHGEU-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386680;MM386680;C#CCC(C#C)=NNC=O;HPBSPBKXHLBUSH-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386681;MM386681;C=CC(CCF)CCCN;QKPFXKDDWGPGJT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386682;MM386682;C#CCC=C(C#C)CC#C;SCZZBQJAJXKEJA-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386683;MM386683;OCC12C=CC(C1)C2;UGSVACMADSJQMF-UHFFFAOYSA-N;110.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386684;MM386684;CC=CC=C(CC)CCC;JDHLPFDIPGFQNP-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386685;MM386685;CCCC(C#N)CCCO;OUSNSLJWOLOICF-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386686;MM386686;CCCC(=CC=CF)CC;XBIZJGMMOMOFNZ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386687;MM386687;CCCC(C=O)CCCF;GIMVOOLYCYJPEC-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386688;MM386688;CC=CC=C(CC)CCN;CJSNDGAITUEZEO-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386689;MM386689;CCCC(C#N)CCCF;XVRBKRBHJGDKBH-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386690;MM386690;NCC(=CC=CF)CCO;HPUNURZPCBAVFY-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386691;MM386691;CCCCC(C=O)CCF;QRCCEJKDOGZXLU-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386692;MM386692;NCC(=CC=CF)CCF;SUDQEMXJIHXYPB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386693;MM386693;O=CC(CCF)CCCF;QNADOTQBDADGLJ-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386694;MM386694;CC1(O)CC1C1CC1;VHMNARUHSLQSBT-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386695;MM386695;C=CC(CCC)CCNC;KSTJPSRPEZIJDP-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386696;MM386696;OCC(=CC=CF)CCF;NFOKMVQBKWPEOA-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386697;MM386697;C=CC(CCF)CCNC;ZPHKILZEZXXYSD-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386698;MM386698;NCCC(=CC=CF)CF;BRYDVJRPSGLSGR-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386699;MM386699;CCCC(C=O)CCNC;KSLFATHWDBDYSS-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386700;MM386700;FC=CC=C(CF)CCF;NKSOVMVNUZPJHA-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386701;MM386701;CCCC(C#N)CCNC;BMGKTUGBGMOJQE-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386702;MM386702;CCCC(=CC=NN)CC;LYNVVULZZPSLAM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386703;MM386703;CCCC(C=O)CCOC;LIMLLHARECIXQM-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386704;MM386704;CCNc1ccc[nH]1;PECVIWCUAPHWFY-UHFFFAOYSA-N;110.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386705;MM386705;COCCC(C#N)CCO;KUERIARMRNXAJH-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386706;MM386706;CCC(=CC=NO)CCN;CCOYQPAJVPLFCK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386707;MM386707;COCCC(C=O)CCF;XJYLKWXXNGTIDF-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386708;MM386708;CCC(=CC=NN)CCF;IWYHUJYWSDMMAI-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386709;MM386709;COCCC(C#N)CCF;AOJADEHFQOJVMJ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386710;MM386710;CCC(=CC=NO)CCF;JMTGKNRJPXWIBO-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386711;MM386711;C=CC(CCCC)CNC;FJFICTBTNSTBNZ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386712;MM386712;CCCC(=CC=NO)CN;VSURCZZQJXZUHD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386713;MM386713;C=CC(CCCF)CNC;XIUXALKSGIEJOG-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386714;MM386714;CCN1C(C)C1C=O;QHLPZLQQQVZZRE-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386715;MM386715;CCCCC(C=O)CNC;IKWQPISIVGAPFT-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386716;MM386716;Cn1nnoc1=NN;XJRLJNYAPJECFG-UHFFFAOYSA-N;115.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386717;MM386717;C=CC(CCOC)CNC;VOWYLLSPRIJBOH-UHFFFAOYSA-N;143.23;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386718;MM386718;OCCC(=CC=NO)CF;LBGKOKNJCNOERV-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386719;MM386719;C=CC(CCCN)COC;WFZMEKFRICWXPK-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386720;MM386720;NN=CC=C(CF)CCF;ZTXUMCAOWGVVRZ-UHFFFAOYSA-N;148.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386721;MM386721;OCC12CCCC1C2;HFQRRAIYOPRFHI-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386722;MM386722;ON=CC=C(CF)CCF;DGDSJIREWDRVGO-UHFFFAOYSA-N;149.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386723;MM386723;COCC(C#N)CCCO;DCOIZFKOJQOXAZ-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386724;MM386724;CC=CC=C(CC)CNC;SARSTXKCMCTOTP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386725;MM386725;COCCC(C#N)COC;RLAGTAHCDQMGGP-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386726;MM386726;CCC(=CC=CF)CNC;NNNKBELFZHHTEV-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386727;MM386727;C=CC(CCC)CNCC;TVYSBUNFKMGWKD-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386728;MM386728;CNCC(=CC=CF)CN;WXFVEDZVQGQCPP-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386729;MM386729;C=CC(CCN)CNCC;MVOXTCPSUCSFRN-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386730;MM386730;CNCC(=CC=CF)CO;BQSQQLUAULYLBX-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386731;MM386731;C=CC(CCO)CNCC;ZOHMRCNNNKLWON-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386732;MM386732;CCC(=CC=NO)CNC;NMARMEKGMFBJOZ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386733;MM386733;C=CC(CCF)CNCC;ZJGDJPMRQGLJLD-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386734;MM386734;CNCC(=CC=NO)CF;NRENOVMNJXHQFQ-UHFFFAOYSA-N;146.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386735;MM386735;CCCC(C=O)CNCC;RCPIIEHRZMTUGH-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386736;MM386736;CCCC(C=CNO)=NC;GIBAKSQFDBXFMG-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386737;MM386737;C=CC(CCC)COCC;KCMDLKHXBXSFCN-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386738;MM386738;CN=C(C=CNO)COC;YZMHIBRQJIVFTP-UHFFFAOYSA-N;144.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386739;MM386739;CCCC(C=O)COCC;NBXAIUYPIHJUGI-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386740;MM386740;COC(=CC=NO)CCN;BAILVOYLCKSERF-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386741;MM386741;CCOCC(C=O)CCF;BEKJPHULHXCQNT-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386742;MM386742;C=Cc1cc[nH]c1N;PCOVFMLLSDNFLM-UHFFFAOYSA-N;108.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386743;MM386743;C=CC(CNC)COCC;GHVWATPENIKGKP-UHFFFAOYSA-N;143.23;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386744;MM386744;CC=NN=C(CN)CCN;NUKQJCYAPQGNGA-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386745;MM386745;CCOCC(C#N)COC;UPVUOZJMHAHYJZ-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386746;MM386746;CC=NN=C(CCN)OC;JKCGMEACFKUYJJ-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386747;MM386747;C=CC(CCCN)NCC;HHNGMFBIQBAKSJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386748;MM386748;CC=NN=C(CCO)OC;IXBDRTZGWRPSRF-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386749;MM386749;C=CC(CCCO)NCC;QEYMCUDCFGCJHV-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386750;MM386750;CC=NN=C(COC)OC;CSPOEKZCTGUDAM-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386751;MM386751;C=CC(CCCF)NCC;IIOIYFFXFFROFV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386752;MM386752;CN=CN=C(NC)NNC;NJSXWVVLHRDVOC-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386753;MM386753;C=CC(CCOC)NCC;SSBRJMHCRYVRLJ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386754;MM386754;CNNC(=NC=NN)NC;VVSRKLYEMCSRSE-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386755;MM386755;C=CC(CCCC)OCC;HHQFUFDNFXCTDG-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386756;MM386756;CNNC(=NC=NO)NC;VIMIXKQEMRCWJS-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386757;MM386757;CCOC(C#N)CCOC;KZWUUGNJDRBHKY-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386758;MM386758;CNNC(=NC=NN)NN;FOLATWBCVIUGLH-UHFFFAOYSA-N;145.17;-2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386759;MM386759;CCOCC(C#N)OCC;UVBGSNJMGKHIQJ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386760;MM386760;CNNC(=NC=NO)NN;YXHHYXZIWAWVSU-UHFFFAOYSA-N;146.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386761;MM386761;C=CC(CCC)NCCN;SPGLQKIGPIYLBU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386762;MM386762;CN=CN=C(NO)NNC;PTJGFQHXTBNQBF-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386763;MM386763;C=CC(CCC)NCCO;VXKYIYQXFFDZHZ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386764;MM386764;CNNC(=NC=NO)NO;VERVYJNJCFULMY-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386765;MM386765;C=CC(CCC)NCCF;ZIVGJFIHBNAECO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386766;MM386766;CONC(=NC=NO)NN;OFNHMMXCXWUBNR-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386767;MM386767;C=CC(CCN)NCCC;VDSJTWMKMJXXRO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386768;MM386768;CC(C)(O)CCCC#N;LJGJBRNNHCXBEL-UHFFFAOYSA-N;127.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386769;MM386769;C=CC(CCN)NCCO;KWLHMARLVHIHDB-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386770;MM386770;CCNC(=NC=NO)OC;GRNCZSLSQNCOHF-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386771;MM386771;C=CC(CCN)NCCF;GRYWESBOEKDBRT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386772;MM386772;CNNC(=NC=NO)OC;XKUCWCJVRJHLFP-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386773;MM386773;C=CC(CCO)NCCN;QZDPMWPFLLCMCX-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386774;MM386774;CC#CCC(C)C(C)O;PEWYBQRGXBSHRD-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386775;MM386775;CCCC(C#N)NCCF;RUPCGUSZRRSBSQ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386776;MM386776;COC(=O)ON=CNN;NCWKCULPNQFXHY-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386777;MM386777;C=CC(CNC)NCCO;SEYMFHBOZHQEKG-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386778;MM386778;CC#CCCC(O)CC;JMURPASBZIZOAR-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386779;MM386779;CCCNC(C#N)COC;WLRAFTXEDYCXCR-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386780;MM386780;C=CC1C(C)C1(C)CO;KSPRIVWHQMOTNB-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386781;MM386781;OCC1(C2CC2)CC1;WEWRFBNQEVCIPF-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386782;MM386782;C=C1C(C)CC2CC12O;FQQODWAPSIRYEA-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386783;MM386783;COCC(C#N)NCCF;JYQQEYKIIIQWCU-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386784;MM386784;C=CC1=CC2CC2(O)C1;CXEHSCJZPBKWLD-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386785;MM386785;C=CC(CCC)OCCN;RBUOXAXLHQQCJS-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386786;MM386786;CC=Cc1c[nH]c(N)c1;RRSAMYNRFGLATH-UHFFFAOYSA-N;122.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386787;MM386787;C=CC(CCC)OCCO;KMCFXGHZTYTPND-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386788;MM386788;CC=NN=C(CO)OCC;DYLDFFMFVFWIQX-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386789;MM386789;C=CC(CCF)OCCO;PECVVYDPUBOPHD-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386790;MM386790;NN=c1onc(N)n1N;IRKCYTCVMCKWAE-UHFFFAOYSA-N;130.11;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386791;MM386791;CCCOC(C#N)CCO;VHWCEMWNBYZYFZ-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386792;MM386792;C=C(C)C1C(O)C1CC;YNAJACLRYGIMKE-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386793;MM386793;N#CC(CCO)OCCO;UWJAJLHKOYSSTA-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386794;MM386794;COC(N=CNN)=NN;VNFLOWDCFPWRIB-UHFFFAOYSA-N;131.14;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386795;MM386795;O=CC(CCF)OCCO;VRYORBACMKPPMH-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386796;MM386796;CC=NN=C(OC)OCC;BEKGVPZBMUXOBN-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386797;MM386797;C=CC(CCO)OCOC;RUUILQZBSCJKQY-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386798;MM386798;C=CCC(=CC=CF)CC;SDZGDSAECRIFIK-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386799;MM386799;CCCC(C=O)OCOC;MYTRVCPMDOFUQP-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386800;MM386800;CCC(=CC=CF)CC=O;XUPVCIRSKAQYIE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386801;MM386801;CCCC(C#N)OCOC;YZDJFLIWMFYZFE-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386802;MM386802;C=CCC(=CC=CC)CN;YPFUUKSXRBDQDJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386803;MM386803;COCOC(C=O)CCF;CJVPQRIOFNIQIA-UHFFFAOYSA-N;150.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386804;MM386804;C=CCC(=CC=CF)CN;DZHONIRMGKBOBD-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386805;MM386805;C=CC(CNC)OCOC;INBFIADWPZEPIM-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386806;MM386806;O=CC=NNCC=CF;KZGYUUCKPJTION-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386807;MM386807;COCOC(C#N)COC;MGEZDKNJQGPMMO-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386808;MM386808;CC=CC=C(CO)CC=O;IEHNSVCMXSUCMH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386809;MM386809;C=CC(OCC)OCCO;ZXKJCNZPHYFTMB-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386810;MM386810;CC=CC=C(CO)CC#N;ICEXHUFWTRMVAR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386811;MM386811;CCCOC(C#N)OCC;FNBQBCJEFJEBGW-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386812;MM386812;O=CCC(=CC=CF)CO;CUGOHMFVDTXKIT-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386813;MM386813;CCCN(C=N)CCCO;GTZMLXOVYBDPFS-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386814;MM386814;N#CCC(=CC=CF)CO;MPSAHLPNGYRPSZ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386815;MM386815;N=CN(CCF)CCCF;GPTXVYGXWBZTCE-UHFFFAOYSA-N;150.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386816;MM386816;C=CCC(=CC=NN)CC;QWPIJSXWWJDYNS-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386817;MM386817;C=C(C=CC)CC(C)O;YNNVTLIKSQHVQP-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386818;MM386818;C=CC(C=C)=CC(C)(C)O;HAFUQIBFKFEPRL-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386819;MM386819;CCCCN(C=O)CCF;ORVQVGUGEAFJAR-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386820;MM386820;CCC(=CC=NO)CC=O;YCCUPNDHXBDQRT-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386821;MM386821;CCCN(C=O)CCNC;XJJOSXLVUCHIMM-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386822;MM386822;CCC(=CC=NO)CC#N;OWMBEXPWUVHFKZ-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386823;MM386823;COCCN(C=N)CCO;AAWBRXZDJMSIJY-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386824;MM386824;C=CCC(=CC=NO)CN;BQXHDDGONPKNSJ-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386825;MM386825;COCCN(C=N)CCF;MNHVPOKSELOKCE-UHFFFAOYSA-N;148.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386826;MM386826;C=CC1(O)CC(C)(CC)C1;GBPXEPWGMSDEEK-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386827;MM386827;COCCN(C=O)CCF;HVQUJUSVQRIRGQ-UHFFFAOYSA-N;149.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386828;MM386828;C=CCC(=CC=NO)CO;QWMFZTTZVOWYEB-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386829;MM386829;C=NN(CCO)CCCN;CVMCCESGZJQYJK-UHFFFAOYSA-N;145.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386830;MM386830;O=CCC(=CC=NO)CO;GPECXFZUDVJQOH-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386831;MM386831;C=C(C=CF)CC(C)O;BMUJFOFBNBGPHD-UHFFFAOYSA-N;130.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386832;MM386832;COC(=CC=CF)CC#N;CWWJESDXWDBOKR-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386833;MM386833;C=NNCC(=O)C#CC;FTWPYVVUYRSRFX-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386834;MM386834;COC(=CC=NO)CC#N;KGUTUYNVYWXBCJ-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386835;MM386835;C=NN(CCO)CCNC;LSTYVQYATPDEBD-UHFFFAOYSA-N;145.21;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386836;MM386836;N=CNC(=CC=CF)CN;LIUCOFZBAHJZIU-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386837;MM386837;CCCCN(C=N)NCC;PWMRGVGQPNNYDW-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386838;MM386838;CCC(=CC=NO)NC=O;COHUDZRSDGLNPM-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386839;MM386839;CCNN(C=N)CCCF;ZLADFPRZBYTOND-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386840;MM386840;CNN=C(CF)C(C)(F)F;KJPWSWUTKKTBAQ-UHFFFAOYSA-N;154.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386841;MM386841;CCCCN(C=N)OCC;DBLYZDAMUNEQBV-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386842;MM386842;N=CNC(=CC=NO)CF;RRZZMVIRZDZQGT-UHFFFAOYSA-N;145.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386843;MM386843;CCON(C=N)CCCO;NSUNURXTYULTQX-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386844;MM386844;C#CC#CCCC(C)(C)O;INEBKMIMCHIUSR-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386845;MM386845;CCON(C=O)CCNC;YWIYKMQSGSLMJH-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386846;MM386846;CNC(=CC=NO)NC=N;DLGJPZUEFGYCBT-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386847;MM386847;CCCNN(C=N)CCC;JFUNVUFIQMKZCQ-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386848;MM386848;COC(=CC=CF)NC=N;FBDYJYWCPMBWDC-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386849;MM386849;CCCN(C=N)NCCF;JWZUDNUSXNDAAI-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386850;MM386850;NCC(=CC=CF)OC=O;FHHITQPPPURPRF-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386851;MM386851;CCCNN(C=N)CCF;PZUAHQARSBJWMO-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386852;MM386852;O=COC(=CC=CF)CO;GIWOLUNIGKSBBQ-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386853;MM386853;CCCON(C=N)CCC;OMHODIYMIVPNES-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386854;MM386854;C=CC1(O)C=C(C)C(=C)C1;BMNUFZJBRHMONH-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386855;MM386855;CCCN(C=N)OCCN;SRXAGSAUKDLXRL-UHFFFAOYSA-N;145.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386856;MM386856;C=COC(=CC=NO)CF;PQYXHZJUJWPLHH-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386857;MM386857;CCCN(C=O)OCCO;LEBTZNUGMRXUGT-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386858;MM386858;CC=NN=C(CC)CC#N;XSJMYCADZVBIQX-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386859;MM386859;NCCON(C=O)CCO;ZLVJLTSTIAUMMH-UHFFFAOYSA-N;148.16;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386860;MM386860;CC=NN=C(CO)CC=O;IKXQMBKOBNVTAL-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386861;MM386861;O=CN(CCO)OCCO;ZMMQEEYVQKMLAL-UHFFFAOYSA-N;149.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386862;MM386862;CC=NN=C(CO)CC#N;SBPAMYQBUDVKSK-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386863;MM386863;O=CN(CCF)OCCF;VXCKMEGQDDAMJI-UHFFFAOYSA-N;153.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386864;MM386864;CC=NN=C(CC=O)OC;ZSBAJEDXSLGPNM-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386865;MM386865;COCON(C=O)CCF;BTDCHHCJEQMCNS-UHFFFAOYSA-N;151.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386866;MM386866;C=C(C)C(=C)CC1(O)CC1;DGHPLRDXOQQIFL-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386867;MM386867;C=CC(CCC)CCC=O;SMNRJLIQDJXVON-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386868;MM386868;C=CNC(=NC=NC)NC;CLCCFKFDPMDWCN-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386869;MM386869;C=CC(CCF)CCC=O;YOWKWTKZPBDNSA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386870;MM386870;CNC(=NC=NO)NC=O;QBQVGVDDXJNZGL-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386871;MM386871;C=CCCC(C=O)CCC;YQCAZJRYQVNYLF-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386872;MM386872;CN=CN=C(NN)NC=N;CNULEHUEVDAKCL-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386873;MM386873;CCCC(C=O)CCC=O;KPOWYHWMVHPFCO-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386874;MM386874;N=CNC(=NC=NN)NN;NMWFXXKRPJUWPZ-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386875;MM386875;CCCC(C#N)CCC=O;BTARZAFIYNNBIG-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386876;MM386876;NNC(=NC=NO)NC=O;LPEWEICLFWREFJ-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386877;MM386877;N#CC(CCO)CCC=O;MPDFFBQDTBFACZ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386878;MM386878;C=CNC(=NC=NO)NO;CJQSDGQORVMZFD-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386879;MM386879;C=CCCC(C=O)CCF;IOWXOCYRKJVPGN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386880;MM386880;CN=CN=C(NO)NC=N;RXMBYOKUZFXDMQ-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386881;MM386881;N#CC(CCF)CCC=O;RFLZKBRYWGYIPM-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386882;MM386882;N=CNC(=NC=NN)NO;YACJVCXIQMNRKQ-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386883;MM386883;C=CCCC(C=C)CNC;PPMAHWBSXSQKKF-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386884;MM386884;N=CNC(=NC=NO)NO;VRVSIPILMIBKBZ-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386885;MM386885;C=CC(CCC=O)CNC;UFTIKXWBQIMFNA-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386886;MM386886;CC(F)=CCNN=CC=O;NVTSTRSSKPABEE-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386887;MM386887;C=CCCC(C=O)CNC;OKLGDUYJNLKZIS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386888;MM386888;CC=CC1=CC2CC2(O)C1;OTKZKYBLLCYZNO-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386889;MM386889;C=CC(CCN)CNC=N;QJJDMROYLJUSAG-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386890;MM386890;O=CNC(=NC=NO)NO;ZNBPGVNHAOKEBK-UHFFFAOYSA-N;146.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386891;MM386891;C=CC(CCN)CNC=O;JOSGLDGTPIXQEP-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386892;MM386892;C=NNC(=NC=NO)NN;KUDYUCHNUIHEGY-UHFFFAOYSA-N;144.14;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386893;MM386893;C=CC(CCF)CNC=N;IZGYVXLSWMZWGM-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386894;MM386894;C=NNC(=NC=NO)NO;KLDBCUABHRZTAJ-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386895;MM386895;CC=NOC(=O)C(F)F;YRWVHHDLOKDWHT-UHFFFAOYSA-N;137.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386896;MM386896;CN=CN=C(NC=O)OC;QQQMAPAIXMSYGQ-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386897;MM386897;N#CC(CCO)CNC=O;DEEWWKKZCXWJQZ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386898;MM386898;C#CCC(C#N)(C=O)NC;JDTBKOKPADGGBF-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386899;MM386899;C=CC(CCC)CNN=C;SAPIKRJFWMNKPR-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386900;MM386900;CN(C=O)CCC(=O)C=O;XDHFLIBHZYEXPF-UHFFFAOYSA-N;143.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386901;MM386901;C=CC(CCF)CNN=C;YWIAEZKRLYBXSI-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386902;MM386902;C=CC(=O)C1NC1(C)C#N;HBCFKNVQSVQLBY-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386903;MM386903;C#CCC(=C)C(O)CC;PXTFEJIZQFXJRJ-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386904;MM386904;C#CC1(CC)CC1C(C)O;YVTBFNSXSOPRKA-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386905;MM386905;C=CC(CNC)CNC=O;UUKKFKAJIOYBGY-UHFFFAOYSA-N;142.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386906;MM386906;C#CC1(CC)CCC(O)C1;XBBCHQPFTNZYAS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386907;MM386907;CNCC(C=O)CN=CN;CYDYVUMCQODWLT-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386908;MM386908;O=COC(=NC=NO)NO;JPIQYLZKCUNVCG-UHFFFAOYSA-N;147.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386909;MM386909;CNCC(C#N)CNC=N;PTXLDTYWBRPHPI-UHFFFAOYSA-N;140.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386910;MM386910;CCC(C)=NN=CNOC;VBCANGLWIPVSAH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386911;MM386911;C=CC(CNC)CNN=C;AXOUFZKVJGVHIW-UHFFFAOYSA-N;141.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386912;MM386912;CC=NN=C(OC)OC=O;XXZPVMRVTJWLBE-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386913;MM386913;C=CC(CNC=N)COC;TXGZOSSXQFMRLP-UHFFFAOYSA-N;142.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386914;MM386914;C=NOC(=NN=CC)OC;RRNDLYQEOFURRL-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386915;MM386915;COCC(C=O)CN=CN;AJGXYNPZGNUDSQ-UHFFFAOYSA-N;144.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386916;MM386916;C#CCC(=CC=CC)CC;IOUYNWONSIOBJN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386917;MM386917;C=COCC(C=C)CCN;MVPYEQRUFMVXPS-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386918;MM386918;C#CCC(=CC=CF)CC;DELOJWABWDMBLF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386919;MM386919;CCCC(C=O)COC=O;AYXGZRREQRWKSO-UHFFFAOYSA-N;144.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386920;MM386920;C#CCC(=CC=CC)CN;RKOWYOQSGXIGHE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386921;MM386921;O=COCC(C=O)CCO;ZHOOSEDENOUPIX-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386922;MM386922;C#CCC(=CC=CF)CN;WOBFQOQGJVYJTJ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386923;MM386923;N#CC(CCO)COC=O;FIXGRZDXTFASFL-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386924;MM386924;NN=C(NOC=O)OC=O;ICHFIBMRTJZMQD-UHFFFAOYSA-N;147.09;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386925;MM386925;C#CCn1cc(N)nn1;UVFDPSFRMYCKJQ-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386926;MM386926;CC=NOC(CF)=NNC;XMRQJNIUVVSSPG-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386927;MM386927;C=CC(CCF)CON=C;QZQLPPXUTBOKCB-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386928;MM386928;C=COCC(C=C)CNC;RJIMIAXYWDYCDM-UHFFFAOYSA-N;141.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386929;MM386929;C#CCC(=CC=NN)CC;BTZOAUKKNCJTNR-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386930;MM386930;C=CC(CNC)COC=O;BYTKKKMVXNIRFH-UHFFFAOYSA-N;143.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386931;MM386931;C#CCC(=CC=NO)CC;OOKZKWUGFJHXOF-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386932;MM386932;CNCC(C=O)COC=O;PAVSEZPKPFZSQC-UHFFFAOYSA-N;145.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386933;MM386933;CC#CCC(C=O)=NNC;ZOKAMWXIRNZLIW-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386934;MM386934;C=COCC(C#N)COC;GRDRBDJJWYIZGL-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386935;MM386935;C#CCC(=CC=NO)CF;DJRNOSAXZAIOOF-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386936;MM386936;C=CCCC(C=C)NCC;JRHIOCAUMVDFQF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386937;MM386937;C#CCC(C=CNN)=NC;VPBARJIJISKASS-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386938;MM386938;C=CC(CCC=O)NCC;STBMOTVWOWBYBE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386939;MM386939;C#CCC(=CC=CC)OC;CIGLWAAVOPNTJU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386940;MM386940;CCNC(C=O)CCC=O;LTSYRYQUNVBOQQ-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386941;MM386941;C#CCC(=CC=CF)OC;PJNABQNOAFMMJA-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386942;MM386942;C=C1CCC(CO)C1C;WHBNOFBSHNEILN-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386943;MM386943;C#CCC(=CC=NO)OC;SKAHZFLZZZTVPN-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386944;MM386944;C#CCC(CO)=NN=CC;GJZCKWCEGMLZOX-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386945;MM386945;CCNC(C#N)CCC#N;IUXQTJVVUIIPNC-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386946;MM386946;C#CCC(=NN=CC)OC;KZMNFOQAFBZNJD-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386947;MM386947;C=NOCC(C#N)NCC;MWMBVHCNDCZXEK-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386948;MM386948;C=CC(=CC=CC)CCC;JRPIHHGVZHOFMJ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386949;MM386949;CCOC(C#N)CCC#N;FVPVZILJFCTHCT-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386950;MM386950;C=CC(=CC=CF)CCC;UFOHOKYDFHEMOS-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386951;MM386951;C=COCC(C#N)OCC;FLQMIJFWEGSBKE-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386952;MM386952;C=CC(=CC=CF)CCN;DKOVCVAMHJIZDN-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386953;MM386953;C=CC(CCC)NCC#N;XTSRLIZVKJXQSW-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386954;MM386954;CCCC(C#N)=CC=CF;KNPXLJRCRBWXMG-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386955;MM386955;C=CCNC(C=C)CCF;DENUGTVIOWSFJB-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386956;MM386956;O=CC(=CC=CF)CCO;VKHDNPJHGPFLAK-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386957;MM386957;C=CC(CCF)NCC#N;JCHNOAMMRHIZTJ-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386958;MM386958;O=CC(=CC=CF)CCF;XHONIHQLZXSFDM-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386959;MM386959;COC(=NOC=O)NN;LOKYMGPTPILLBA-UHFFFAOYSA-N;133.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386960;MM386960;C#CC(=CNN=C)N=NC;ICGMALGKCQSEMU-UHFFFAOYSA-N;136.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386961;MM386961;CCCC(C#N)NCC#N;WUGBRPQYACJFHS-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386962;MM386962;CCNN=C(NNC)OC;RSOHFPLEFADLCS-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386963;MM386963;CON1C=NC(CF)C1;KHDSMGQFJYGFCA-UHFFFAOYSA-N;132.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386964;MM386964;CCCC(C#N)=CC=NO;SQIBYDZGAYNXPL-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386965;MM386965;NNc1ccn(C=O)n1;GLJDPHOLXWHWLS-UHFFFAOYSA-N;126.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386966;MM386966;N#CC(=CC=NO)CCO;OZCJLKTUDVSOKI-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386967;MM386967;C=CCNC(C=C)CNC;HYNLQRCJFPANSY-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386968;MM386968;C=CC(=CC=CF)CNC;HETFKQWDDFWKQP-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386969;MM386969;C=CC(CNC)NCC=O;DTXINIMBNIFGQQ-UHFFFAOYSA-N;142.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386970;MM386970;CNCC(C=O)=CC=CF;VXQGJRCQFWCUDT-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386971;MM386971;CNCC(C=O)NCC#N;JBEHXBFZERUMPG-UHFFFAOYSA-N;141.17;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386972;MM386972;C=CC(C=CNO)=NCC;HRJASEKCUKHIMF-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386973;MM386973;C=CC(CCN)NNC=N;RUKYFKHJNUWEDQ-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386974;MM386974;CCOC(C#N)=CC=CF;BEYPRAAVOPDGAG-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386975;MM386975;C=CC(CCN)NNC=O;QKZBOPWJSKFYNM-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386976;MM386976;CC=NN=C(C=O)CCO;OKFAKRWQGUCSPR-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386977;MM386977;C=CC(CCO)NNC=N;KJDWXPMJIZBTGK-UHFFFAOYSA-N;143.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386978;MM386978;CC=NN=C(C#N)CCO;FLZWRQSDKDSTFI-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386979;MM386979;CCC(=O)C1NC1C#N;RLKPQRUPCRYDJP-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386980;MM386980;CC=NN=C(C=O)COC;LOPGVDMSUXGYBZ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386981;MM386981;CN1C(C=O)C1C1CC1;BJXWINJEZRKANB-UHFFFAOYSA-N;125.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386982;MM386982;CC=NN=C(C#N)COC;SJNJNAZGGPQNDK-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386983;MM386983;C=CC(CNC)NNC=O;UTCOCLIYKBRNOB-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386984;MM386984;CC=NN=C(C=O)OCC;XBQJDAVGCYAITA-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386985;MM386985;COCC(C=O)NN=CN;XQDTWSJTHLAARZ-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386986;MM386986;CC=NN=C(C#N)OCC;RTQSTAFNJCQUID-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386987;MM386987;COCC(C#N)NNC=N;MDPNTKBZXHXUEI-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386988;MM386988;C=CCC(C=C)=CC=CC;VEAYPZNWGKHRBZ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386989;MM386989;COCC(C#N)NNC=O;PQDRIZPVPCKPJJ-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386990;MM386990;C=CC(=CC=CC)CC=O;TWERCQORHBTJPS-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386991;MM386991;C=CC(CCO)OCC=O;YPEYRZZNBHLNTK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386992;MM386992;C=CC(=CC=CC)CC#N;ZOZIUMXVKBMVOR-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386993;MM386993;C=CCOC(C=O)CCO;GXKVIEGFSNEINL-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386994;MM386994;C=CC(=CC=CF)CC=O;VPJNXXQALMZEPJ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386995;MM386995;N#CCOC(C#N)CCO;FMOXNHSMYUUCQM-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386996;MM386996;C=CC(=CC=CF)CC#N;ISVLXEILJHHBQG-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386997;MM386997;C=CC(CNC)OCC=O;JWYYTRPYULPLAJ-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386998;MM386998;C=CCC(C=O)=CC=CC;DELJMQDGTNXSNN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM386999;MM386999;C=CCOC(C#N)COC;GWZARFXBHVNMFH-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387000;MM387000;C=CCC(C#N)=CC=CC;RQXFAYOMPPGPND-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387001;MM387001;COCC(C#N)OCC#N;XNPCWEFFWOPHOL-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387002;MM387002;C=CCC(C=O)=CC=CF;XCDKFSNOUJZFNE-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387003;MM387003;C=CC(CCC)ONC=O;WNUTXBLASHLXGI-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387004;MM387004;C=CCC(C#N)=CC=CF;YLPPCVSVRDXBFY-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387005;MM387005;C=CC(CCN)ONC=N;NDOZNJPIFCBUOM-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387006;MM387006;CC=CC=C(C=O)CC#N;PXNQRTRUVGPPKH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387007;MM387007;C=CC(CCN)ONC=O;SITUBVNANOGCNQ-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387008;MM387008;N#CC(=CC=CF)CC=O;HGCJZGULGVOMSL-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387009;MM387009;C=CC(CCF)ONC=N;OCURBICRECRLDV-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387010;MM387010;C=CCC(C=C)=CC=NN;XSAQJOSPHAUHLK-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387011;MM387011;N#CC(CCO)ONC=N;XQFZLCQSHGKWSC-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387012;MM387012;CC1=C(C)C(O)CCC1C;ZKHSLILSPFHLFM-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387013;MM387013;C=CC(CNC)ONC=O;YAEORXMZOCRLOD-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387014;MM387014;C=CC(=CC=NO)CC=O;DODKOLXOOMDIBX-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387015;MM387015;COCC(C#N)ONC=N;IZGKGGQJQREJNY-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387016;MM387016;C=CCC(C=O)=CC=NO;ZZWCZURJOIENBU-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387017;MM387017;COCC(C#N)ONC=O;STQCFRMXFSSWEH-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387018;MM387018;C=CCC(C#N)=CC=NO;MMZTWAKSARXRBD-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387019;MM387019;C=CC(OCC)OCC#N;SAKWWZNNUNFLIU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387020;MM387020;O=CCC(C=O)=CC=NO;HYOMXPQXYWKRQF-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387021;MM387021;C=CCOC(C#N)OCC;CRVUHHXFHVOHQK-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387022;MM387022;O=CNC(C=O)=CC=CF;DQZQIBBJNPOBKU-UHFFFAOYSA-N;143.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387023;MM387023;CCOC(C=O)OCC#N;ZREODULFPRFUMG-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387024;MM387024;O=CNC(C=O)=CC=NO;DZJSFJHZVKKLMF-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387025;MM387025;CCOC(C#N)OCC=O;OXVQQNKSDUSFLU-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387026;MM387026;C=C(C=CC=O)CC(C)O;WQIAUKCBNKBNSE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387027;MM387027;C=COC(C=O)=CC=CC;HPDXEMSWOWDGNR-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387028;MM387028;C=CCCN(C=N)CCC;JWBUAIUEWFPDBJ-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387029;MM387029;C=COC(C#N)=CC=CC;CMGSJAPGKLHDHA-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387030;MM387030;CCCN(C=N)CCC#N;LUOMQQQELSNVPB-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387031;MM387031;C=COC(C#N)=CC=NO;KKAIINBCCCLVRA-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387032;MM387032;C=CCCN(C=N)CCN;VOQFMOPRJPFACW-UHFFFAOYSA-N;141.22;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387033;MM387033;CC=NN=C(C=O)CC#N;KWCJSYSDTWWNNV-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387034;MM387034;N#CCCN(C=N)CCO;ORKXLDSTNWCPGM-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387035;MM387035;CC=NN=C(C#N)CC#N;FGBTUZHQXKOABC-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387036;MM387036;C=CCCN(C=N)CCF;KAHNVABLBSPWCA-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387037;MM387037;C=CNC(C=C)=NC=NC;PRJUSNKAYBTPHJ-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387038;MM387038;N=CN(CCF)CCC=O;WVCYFNHISLNUHE-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387039;MM387039;Cn1nnc(N)nc1=NN;JAVMSEFMLJIRKJ-UHFFFAOYSA-N;141.14;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387040;MM387040;N#CCCN(C=N)CCF;JHSXNQZNZHFQFH-UHFFFAOYSA-N;143.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387041;MM387041;C=Nn1oc(=O)oc1=NN;MUPQSLFHXRVONX-UHFFFAOYSA-N;144.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387042;MM387042;C=C(C=CC#N)CC(C)O;LZZCPJNOOINPPU-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387043;MM387043;C=COC(C=O)=NN=CC;SJMQMWGCNUNHHS-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387044;MM387044;CCCN(C=N)NCC=O;IFYKRRNXBSXSJK-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387045;MM387045;C=COC(C#N)=NN=CC;CIBNBVZDFWKDNZ-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387046;MM387046;N#CCNN(C=N)CCO;QBVSRNIVBBRALU-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387047;MM387047;CC=NN=C(C=O)OC=O;XWPNUXJPCUCMPP-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387048;MM387048;CNC(C)(CC#N)C(C)=O;ORHGLZKHIIAKHX-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387049;MM387049;CC=NN=C(C#N)OC=O;YPZQEFXZZYDNLK-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387050;MM387050;CC(C)C(F)C(=O)C(=N)N;TWAQHCRAVNBDMT-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387051;MM387051;C=NOC(C=O)=NN=CC;HVQIKGKTISTADA-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387052;MM387052;CC(C)CNN=C(N)C=O;KUAOMUCJUKYDDG-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387053;MM387053;C=NOC(C#N)=NN=CC;MZLKZRZYNWQENZ-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387054;MM387054;C=CCNN(C=O)CCF;XMDFWIHEHPMLRB-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387055;MM387055;C#CCC(C=C)=CC=CC;KCZRWQGUZPTAQF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387056;MM387056;O=CCON(C=O)CCO;VWIQBIFCIUNFBI-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387057;MM387057;C#CCC(C=C)=CC=CF;RAOHETSWDLKBGL-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387058;MM387058;C#CCCC(C=C)CCC;YEXNNFIMGAVZJG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387059;MM387059;C#CCC(C=O)=CC=CC;YVTZWIHUBDEPKG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387060;MM387060;C#CCCC(C=C)CCF;MBZDHAVMKVUPIC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387061;MM387061;C#CCC(C#N)=CC=CC;MNBLIKQULDRJGH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387062;MM387062;C#CCCC(C=O)CCC;FLYMLKYXLVJKRK-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387063;MM387063;C#CCC(C=O)=CC=CF;JHZZTQQWUZQNTD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387064;MM387064;C#CCCC(C=O)CCF;UTJKCWZNWIKGDY-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387065;MM387065;C#CCC(C#N)=CC=CF;NPAMLMGEXXFNIM-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387066;MM387066;C#CCCC(C=C)CNC;QPBLZZKPQKVUCO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387067;MM387067;C#CCC(C=C)=CC=NN;ZUEAWSVXMDLTAB-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387068;MM387068;C#CCCC(C=O)CNC;FHKPJTHGAFXTBG-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387069;MM387069;C#CCC(C=C)=CC=NO;DHROWROHURVJFR-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387070;MM387070;C#CCCC(C#N)COC;JYHFLYADMHPJPY-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387071;MM387071;C#CC(=CC=CC)CCC;TXURZJWFTVLZBM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387072;MM387072;C#CCCC(C=C)OCC;QRVAYWURJWGLJM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387073;MM387073;C#CC(=CC=CF)CCC;ROCDPEVKQIBNRH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387074;MM387074;C#CCNC(C=C)CCN;BJBCSEWVKDMZSE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387075;MM387075;C#CC(=CC=CC)CCN;AFNHWONESQUNNL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387076;MM387076;C=C(C=O)C(=C)CC(C)O;CFZOYOCZKYVUAP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387077;MM387077;C#CC(=CC=NN)CCC;XJXSLEREBSGJDP-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387078;MM387078;C#CCNC(C#N)COC;PZEBIYNWCDQHNX-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387079;MM387079;C#CC(=CC=NO)CCC;ODYMBWPKKCJSMX-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387080;MM387080;C#CCOC(C=C)CCF;VNTAWRRLHUHURH-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387081;MM387081;C#CC(=CC=CC)CNC;RKSDRXSGYZFVSS-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387082;MM387082;C#CCOC(C#N)CCO;QUPJLMUXMFVHJN-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387083;MM387083;C#CC(=CC=NN)COC;SZEADYFIDGDJAT-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387084;MM387084;C#CCCN(C=N)NCC;XKUQLEZTSPOBGU-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387085;MM387085;C#CC(=CC=NO)COC;FIBUVFSNZXAYHL-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387086;MM387086;C#CCCN(C=O)NCC;GULKNOIUUICIOK-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387087;MM387087;C#CC(C=CNO)=NCC;GPQNZHVMADWQNU-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387088;MM387088;C=CC=C(C=C)CC(C)O;VFAAMAPLYDQVQA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387089;MM387089;C#CC(=CC=NN)OCC;UNTBQRNSFGSJGW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387090;MM387090;C#CCON(C=O)CCN;WGOLDWAXPLJERT-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387091;MM387091;C#CC(COC)=NN=CC;QRMLLVJFAVVBCP-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387092;MM387092;C=CCC(C=C)CCCN;PEWJCYZXKRROBL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387093;MM387093;C#CC(=NN=CC)OCC;AJMFGUJRIYCWQB-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387094;MM387094;C#CC1(CC(C)O)CC1C;BRAQZAKTMWSUPN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387095;MM387095;C#CC(=CC=CF)CC=C;CANMEFLGXYQMOT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387096;MM387096;C=CC(CC=O)CCCC;QDHNVPUHHMPSJH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387097;MM387097;C#CC(=CC=CC)CC#N;BIOZLENOEKUERC-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387098;MM387098;C=CC(CC#N)CCCC;DZYYLKNAOXHJRY-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387099;MM387099;C#CC(=CC=CF)CC#N;ZWZXHDHNTIGDOI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387100;MM387100;CC1=CC(C)(CO)C=C1C;SGNUWGILJVKQPX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387101;MM387101;C#CC(=CC=NN)CC=C;VTDPUHFYTZQUCP-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387102;MM387102;CC=NN=CNOC(C)=O;ZUYQIRLOVWTETR-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387103;MM387103;C#CC(=CC=NO)CC=C;DIACZOJDDPHOGW-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387104;MM387104;C=CC(CC=O)CCCF;WPHUUELPXRTDDA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387105;MM387105;C#CC(=CC=NO)CC#N;BDPZUNYQEKZADK-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387106;MM387106;C=CCC(C=O)CCCC;WETZKCYDNJTUEU-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387107;MM387107;C#CC(=CC=NO)NC=O;KMOPALBXTHEXGZ-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387108;MM387108;C#CC=NOC(=O)C(F)F;STQBCNLLHBNCDC-UHFFFAOYSA-N;147.08;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387109;MM387109;C#CC(=CC=NO)NN=C;FTMQJXBHAPHQLP-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387110;MM387110;C=CCC(C=O)CCCF;DPCCALVRHKIBJX-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387111;MM387111;C#CC(=CC=CF)OC=C;MZDXURIFDLZJBZ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387112;MM387112;N#CC(CC=O)CCCO;FISRAUADPPKZRZ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387113;MM387113;C#CC(=CC=NN)OC=C;XZQJNFIENRUOHP-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387114;MM387114;N#CCC(C#N)CCCO;MLSDIYYYHIFCEF-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387115;MM387115;C#CC(=CC=NO)OC=C;YBTNJAZFAHEDCD-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387116;MM387116;O=CCC(C=O)CCCF;PSIQAKOPBBOYAF-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387117;MM387117;C#CC(CC#N)=NN=CC;CZIYIIWFQPOMHX-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387118;MM387118;N#CC(CC=O)CCCF;IZFBRYKFVLXVGJ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387119;MM387119;CNc1nnn(N)c(=N)n1;RZHYHRSIBYVHAK-UHFFFAOYSA-N;141.14;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387120;MM387120;C=CCC(C=C)CCNC;JPFDVATUYDDTTR-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387121;MM387121;C#CC(=NN=CC)OC=C;DDNKLDXWKGBKLX-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387122;MM387122;C=CC(CC=O)CCNC;CGSPHLLPWZSACI-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387123;MM387123;C#CC(=NN=CC)OC=O;YHWMPSWFVKUWMI-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387124;MM387124;C#CC(=NN=CC)ON=C;ASLPGLIDZVISJQ-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387125;MM387125;C=CC(CC#N)CCNC;BFIHKZVZPFOMSQ-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387126;MM387126;C#CCC(C#C)=CC=CC;HDKZEGPEGLKTTG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387127;MM387127;C=CCC(C=O)CCNC;JFVXUOGDIHABCS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387128;MM387128;C#CCC(C#C)=CC=CF;NFMNRUKCIDMNIP-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387129;MM387129;CNCCC(C=O)CC=O;NNTYFWIXZZRWPB-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387130;MM387130;C#CCC(C#C)=CC=NN;YVRTWWNDSMBIMW-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387131;MM387131;CNCCC(C#N)CC#N;LCPIBPYOSZDNLU-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387132;MM387132;C#CCC(C#C)=CC=NO;TVUVYMHBIIDWQT-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387133;MM387133;C=CCC(C=C)CCOC;AFTNKTFOPLUGNK-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387134;MM387134;C#CCC(C#C)=NN=CC;ABAPPVJISLIQQQ-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387135;MM387135;C=CC(CC=O)CCOC;TWAZJVCLIMJEGW-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387136;MM387136;CC#CC=C(CC)CCN;DEPINPMNNDODHZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387137;MM387137;C=CCC(C=O)CCOC;AUKWZOVAWRCWBC-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387138;MM387138;CC#CC=C(CO)CCO;RDTIFACQBHOUDC-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387139;MM387139;C=CCC(C#N)CCOC;XBMIVHDHDFQNCN-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387140;MM387140;CC#CC=C(CO)OCC;HAWRCZFOLSQCQS-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387141;MM387141;C=CCC(C=C)CNCC;VXKAKNOZEKBKML-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387142;MM387142;C=CCC(=CC#CC)CC;OFHOEAJHYVNMJL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387143;MM387143;C=CC(CC=O)CNCC;PZTYFZLUNZEFLV-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387144;MM387144;C=CCC(=CC#CC)CO;IFZKAKLZJRPCRL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387145;MM387145;C=CC(CC#N)CNCC;BBNYVTWQGJNTQC-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387146;MM387146;CC#CC=C(CF)CC#N;NHSAOBOFIISSKF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387147;MM387147;C=CCC(C=O)CNCC;FJBZNWPPZMGCBO-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387148;MM387148;CC#CC=C(CO)NC=N;LTGVXWHATBHSAX-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387149;MM387149;C=CC(CC=O)COCC;HTJFDXJQNMIKDB-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387150;MM387150;CC#CC=C(CO)NC=O;DCZCPSQNCKIAKY-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387151;MM387151;C=CCC(C=O)COCC;HGKWNNCGMRICDG-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387152;MM387152;CC#CC=C(CF)NC=N;UTBWXQIOEZDKHP-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387153;MM387153;CCOCC(C=O)CC=O;PSNVFHRYRQWCAZ-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387154;MM387154;CC#CC=C(NC=N)OC;POSAHNBNHCTJMG-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387155;MM387155;N#CC(CCCO)NC=N;WYHTVWLIRZAZID-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387156;MM387156;CC#CC=C(NC=O)OC;LEJLXJZIFVDGCX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387157;MM387157;CNCCC(C#N)NC=N;GDFCJIRSESPPNJ-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387158;MM387158;C#CCC(=CC#CC)CC;LVBAUAPMAFXOOC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387159;MM387159;CNCCC(C#N)NC=O;PCDKQNJPQHNFCO-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387160;MM387160;C#CCC(=CC#CC)CN;JJPQWNQTURZLID-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387161;MM387161;COCCC(C=O)N=CN;DUUPFHMADPOMBD-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387162;MM387162;C#CCC(=CC#CC)CO;OUIFJGLYUKMNQK-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387163;MM387163;COCCC(C#N)NC=O;BNBBBOSGEPPHKF-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387164;MM387164;C#CCC(=CC#CC)OC;ZPLWZHHCXZBGAC-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387165;MM387165;C=CC(CCCC)NN=C;AUARRHYSUGCVRZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387166;MM387166;CC#CC=C(C=O)CCC;QZGDAUIPFKKWTJ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387167;MM387167;CCOCC(C#N)NC=N;SYEOIOYURXERLT-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387168;MM387168;CC#CC=C(C#N)CCC;CGJPGHNYRQDMDR-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387169;MM387169;C=COC(C=O)CCCO;JYXHDNMVRGFCRD-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387170;MM387170;CC#CC=C(C#N)CCO;HHAVRSVVQUEWOS-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387171;MM387171;C=COC(C#N)CCOC;LTDONSLINJBKFD-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387172;MM387172;C=CCC(C=C)=CC#CC;XNZGOBSAGBWTSC-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387173;MM387173;COCCC(C#N)OC=O;WYNGZXTVJVXVTA-UHFFFAOYSA-N;143.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387174;MM387174;C=CC(=CC#CC)CC=O;CWCFGJZRUXINQO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387175;MM387175;C=NOC(C#N)CCOC;AWKRUDIURAVPKN-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387176;MM387176;C=CC(=CC#CC)CC#N;FUNJNQXWQNOCQJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387177;MM387177;C=COC(C#N)COCC;YHNDAZIZFBZJFE-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387178;MM387178;C=CCC(C=O)=CC#CC;NMXLBCBGTAMULV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387179;MM387179;C=NOC(C#N)COCC;PRKOCFAODUASRV-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387180;MM387180;C=CCC(C#N)=CC#CC;REUJWPFPCFKMNL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387181;MM387181;CC(C)C(O)CC#CCF;WWOJNFKETLPQOV-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387182;MM387182;CC#CC=C(C=O)CC#N;MMJOUINFQWOJCO-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387183;MM387183;C#CCC(O)C(=C)C(C)C;OCQKCVSPKURAKP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387184;MM387184;CC#CC=C(C#N)CC=O;GPMMFBGFYLKZHO-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387185;MM387185;N#CCC(C#N)NCCF;NFCXOAUTLNPKSQ-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387186;MM387186;CC#CC=C(C#N)CC#N;FWEHBMPOEWKRGO-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387187;MM387187;C=CCC(C=C)OCCC;PPCMPMIZHZEXCJ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387188;MM387188;CC#CC=C(C#N)NC=O;IJAGNALPBWQFSS-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387189;MM387189;C=CCC(C=C)OCCO;JUXQXPZUBZGWSE-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387190;MM387190;C=COC(C=C)=CC#CC;LOKVEDILYDYGJU-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387191;MM387191;C=CC(CC#N)OCCC;MYRYXLULFCOSSR-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387192;MM387192;C=COC(C#N)=CC#CC;AOAZBZALTYCXOR-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387193;MM387193;C=CC(CC#N)OCCO;ANVHBUFHTKLPBN-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387194;MM387194;C#CCC(C=C)=CC#CC;JHIIYJASLRCQGJ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387195;MM387195;C=CCC(C=O)OCCF;VTSBSSAFLIEHRT-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387196;MM387196;C#CCC(C#N)=CC#CC;WHZJDSUMJUMGSZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387197;MM387197;N#CC(CC=O)OCCO;SGHJNQSCELDATN-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387198;MM387198;C#CC(=CC#CC)CCC;YNDOQENUJRAQEE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387199;MM387199;N#CCC(C#N)OCCO;HFPAQJBBXXYOAP-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387200;MM387200;C#CC(=CC#CC)CCN;WXQMHWWRZNLLHW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387201;MM387201;N#CCC(C#N)OCCF;VYKCVYNWLUSSHJ-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387202;MM387202;C#CC(=CC#CC)CCO;FNAGYENSQIOICR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387203;MM387203;C=CCC(C=C)OCOC;QNSVXNHLJHQWLL-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387204;MM387204;C#CC(=CC#CC)OCC;LYKLLNCPMMWNLV-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387205;MM387205;COCOC(C=O)CC=O;QEJNKGOIIXBWNN-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387206;MM387206;C#CC(=CC#CC)CC=C;MXYWBTUWOORFIN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387207;MM387207;C=COC(C=C)OCCN;SWHLYTUMWODNBM-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387208;MM387208;C#CC(=CC#CC)CC#N;ZZJWTMGMPMDGIS-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387209;MM387209;C=COC(C=C)OCCO;KAIVKDRXWLTABZ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387210;MM387210;C#CC(=CC#CC)NC=N;LPYULTFAEIBFHG-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387211;MM387211;C=COC(C#N)OCCF;NIMGQGJFRDDFDX-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387212;MM387212;C#CC(=CC#CC)NC=O;NGRVRUQNCJPLRG-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387213;MM387213;CCCOC(C=O)OC=O;SHJOLACRNGJTMR-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387214;MM387214;C#CC(=CC#CC)OC=C;KLHHSVLTHAFLEP-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387215;MM387215;N#CC(OC=O)OCCO;YXDQGNCUVPPQTC-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387216;MM387216;C#CCC(C#C)=CC#CC;MPGZXMSYLCZMIQ-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387217;MM387217;C=COC(C=O)OCOC;JLWDQUKPFAQHEV-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387218;MM387218;CC=CC(=CCCC)CC;KEHXFVIYHLFQRR-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387219;MM387219;C=COC(C#N)OCOC;JKYRUTLXZGAGLX-UHFFFAOYSA-N;143.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387220;MM387220;CC=CC(=CCCO)CC;YHKDZMKJJHEGPI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387221;MM387221;C=NOC(C#N)OCCC;XNOBCFJIGRJRIE-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387222;MM387222;CC=CC(=CCCF)CC;PPMYLTOAGTUBBA-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387223;MM387223;C=CC(OCOC)ON=C;NVNCPIYGUDABPQ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387224;MM387224;CC=CC(=CCCC)CN;WOKPEMRHRCCNFL-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387225;MM387225;N#CCN(C=N)CCCO;PIRZXUUJTSTJLE-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387226;MM387226;CC=CC(=CCCO)CN;IYTRCMOLULMXMI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387227;MM387227;C=CCN(C=O)CCCC;WNIDIGKJVKOYHL-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387228;MM387228;CC=CC(=CCCF)CN;GQDRNCXETMRDEN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387229;MM387229;C=CCN(C=O)CCCF;FVABBKBHVMGCQF-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387230;MM387230;NCC(C=CF)=CCCF;RIMPIGGMHXJYPG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387231;MM387231;CNCCN(C=O)CC#N;FRXCOMMYEQSJQA-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387232;MM387232;NCCC=C(C=CF)CO;YMAZOPOGIWYLNS-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387233;MM387233;COCCN(C=N)CC#N;FKMJOWXDPZLLDS-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387234;MM387234;CC=CC(=CCNC)CO;UAYSXPMYLBEJAC-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387235;MM387235;COCCN(C=O)CC#N;HDEYWPIRMNIEPK-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387236;MM387236;CC=CC(=CCOC)CN;QCEUDBUQSHTZMU-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387237;MM387237;C=CCN(CCCN)N=C;RFGSWGPYPXOJCP-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387238;MM387238;CC=CC(=CCOC)CO;ARUBFFIWIDRYKE-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387239;MM387239;C=NN(CC#N)CCNC;WKZYTIZVLLPHHN-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387240;MM387240;NCCC=C(C=NO)CO;XWXTZVZLYQWKIY-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387241;MM387241;C=CCN(CCOC)N=C;KMFXDKYIBHGCAU-UHFFFAOYSA-N;142.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387242;MM387242;OCCC=C(C=NO)CO;DFHXVZYLEJPOPM-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387243;MM387243;C=CCN(C=N)NCCN;KEHLOXZDIYGWAY-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387244;MM387244;OCC(C=NO)=CCCF;PVEXCAOWBPCKRD-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387245;MM387245;N#CCN(C=O)NCCF;ZQCDLERZALGKDI-UHFFFAOYSA-N;145.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387246;MM387246;CC=CC(=CCCN)OC;CKMSAHGGMODUSZ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387247;MM387247;C=CCN(C=N)OCCN;GHSNWHGRTIKSQV-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387248;MM387248;CCN=CC(=CNN)CO;PRFJOJPXHRWWBE-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387249;MM387249;C=CCN(C=O)OCCO;IOUOJNKPEDEWLV-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387250;MM387250;CCN=CC(=CNO)CO;HKFFQVYMBFGXDM-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387251;MM387251;O=CCN(C=O)OCCO;IUQIJNYACOZSIC-UHFFFAOYSA-N;147.13;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387252;MM387252;CCN=CC(=CNN)CF;WSNXDRWDYPKJJJ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387253;MM387253;N#CCN(C=O)OCCO;PCSUSQKELFSKMJ-UHFFFAOYSA-N;144.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387254;MM387254;CC=CC(=COCC)CC;NAEBLKMWTDTAAC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387255;MM387255;COCON(C=N)CC#N;YPUIDZMVYLYGFJ-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387256;MM387256;CCOC=C(C=NN)OC;QOUBZCSUBQLOGH-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387257;MM387257;C=CCC(C=C)CCC=O;DCABRXOUQCZTFC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387258;MM387258;CCOC=C(C=NO)OC;KIPBFDTVTUKAOI-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387259;MM387259;C=CCCC(C=C)CC=O;BDOWHKTXHWXKCY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387260;MM387260;CC=CC(CC)=NNCC;GBLYJJHTDDJOCJ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387261;MM387261;C=CC(CC=O)CCC=O;XLCSEQOHZWBSKF-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387262;MM387262;C#CCC1CC(C=O)=NN1;ZXFREXWMOUTAGD-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387263;MM387263;C=CC(CC#N)CCC=O;IJYBLWARSFMFNK-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387264;MM387264;CCNc1noc(=NN)o1;SDSJDKJBEZPWBF-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387265;MM387265;C=CCCC(C=O)CC=C;IYTYBDABNJPUNZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387266;MM387266;C=CCC=C(C=CF)CN;DBIMSNLBDUMGSL-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387267;MM387267;C=CCC(C=O)CCC=O;TZWFJSFTIOBCPZ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387268;MM387268;O=CCC=C(C=CF)CF;BYUGQKKMDRGQDW-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387269;MM387269;N#CCC(C=O)CCC=O;DERCJXKCTOXXOG-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387270;MM387270;CCC(C=NO)=CCC=O;SCOLLXNNHXRPGH-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387271;MM387271;N#CCCC(C#N)CC#N;VSDGXRKPOJEXFE-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387272;MM387272;CCC(C=NO)=CCC#N;ZJQBIAXCOQFLPA-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387273;MM387273;C=CCC(C)C1(C)CC1O;AILMTJXSNDMFHP-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387274;MM387274;CC=CC(=CNC=N)CC;DHMMTKPOHAQYNO-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387275;MM387275;C=CC(CC#N)CNC=N;HTCBASHSSALFAH-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387276;MM387276;CC=CC(=CNC=N)CN;SQDDMIRMURIXRV-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387277;MM387277;C=CCC(C#N)CNC=N;GIHXYYKVXKECLJ-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387278;MM387278;CC=CC(=CNC=O)CN;LVIZHXROTOGLHM-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387279;MM387279;C=CCC(C#N)CNC=O;WEHBAEVBOBJKQV-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387280;MM387280;N=CNC=C(C=CF)CF;SITQMKVUNBFQOP-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387281;MM387281;N#CCC(C=O)CNC=N;OTOGUQOIKMOFMI-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387282;MM387282;N#CCC1=NCC(=CF)N1;DKBINSQNTKYZAX-UHFFFAOYSA-N;139.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387283;MM387283;N#CC(CC=O)CNC=N;JNIJMZNHJKXAPZ-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387284;MM387284;C=CCC(C=C)CNN=C;LWUOUEJLGLLHIU-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387285;MM387285;C=NNC=C(C=NO)CO;BVCFZUMYBJQXRH-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387286;MM387286;C=CCC(C=C)COC=O;URFUVTBVQHVBPF-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387287;MM387287;CC=CC(=CNC=O)OC;RJMVFUFQNSABJW-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387288;MM387288;C=CCC(C=C)CON=C;DRXGCFZQSNDKSB-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387289;MM387289;COC(C=CF)=CNC=O;ZWYOAULYDQCNIR-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387290;MM387290;C=NN=C(NOC)OCC;PWKPSCCXFZXQBL-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387291;MM387291;COC(C=NN)=CNC=N;DUXIQYSRZWSZFI-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387292;MM387292;CC#CC(CC#N)=NNC;ZAIWBLZWCCCHGB-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387293;MM387293;NN=c1nnc(N)nn1N;MPWYAKMILOJAFT-UHFFFAOYSA-N;142.13;-3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387294;MM387294;C=CC(CCC#N)NC=O;HZUYKFAXCRXVTG-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387295;MM387295;COC(C=NO)=CNC=N;LMTWAVVTOPADHY-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387296;MM387296;O=CCCC(C=O)NC=O;NJLWSUUWQFRAIC-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387297;MM387297;COC(C=NO)=CNC=O;DDCOVEFYOFLPAQ-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387298;MM387298;CC12CC(CC#N)=NN1C2;GGFZAPYPKDKIRC-UHFFFAOYSA-N;135.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387299;MM387299;C=COC=C(C=CC)CC;HKZAOPQYRNCTKJ-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387300;MM387300;C=CC(CNC=O)NC=N;ANVOJJBPNDLBGH-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387301;MM387301;CC=CC(=COC=O)CC;CYFSYKLQMOCDIO-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387302;MM387302;O=CNCC(C=O)NC=O;MSIKLMIXHDQQEM-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387303;MM387303;CC=CC(=COC=O)CN;YEPNSFLNYPMFIF-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387304;MM387304;N#CC(CNC=O)NC=O;FSDLJDMPEYXJHH-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387305;MM387305;NCC(C=NO)=COC=O;SGJBXTCOSKANHX-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387306;MM387306;C=NNCC(C=O)NC=N;MJXWTBKRWDFUPK-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387307;MM387307;N=c1nnoc(=NN)n1N;UMSVVCXSCYJMTB-UHFFFAOYSA-N;143.11;-3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387308;MM387308;C=NNCC(C#N)NC=N;VHOCKDHGUOYJKK-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387309;MM387309;C=COC=C(C=NN)OC;KNSVXIQDEBTJCU-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387310;MM387310;COC(=NOC(C)=O)NN;XYRYSOVAMHBMEK-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387311;MM387311;C=COC=C(C=NO)OC;BITNOLBJXUUYQH-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387312;MM387312;N#CCNC(C=NO)=NO;ZYUTWGKAZDAWAY-UHFFFAOYSA-N;142.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387313;MM387313;C#CC1(CC)CC(=O)N1N;VKCVSYVVAYVZBI-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387314;MM387314;CNc1noc(=NN)n1N;XAUZRJMJYBRPLZ-UHFFFAOYSA-N;144.14;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387315;MM387315;C=NNC(C=O)CNC=N;GXUPTPXWFWKHND-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387316;MM387316;CCC(C=CF)=NNC=O;QGMHMKFAHDPIHZ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387317;MM387317;C=NNC(C#N)CNC=N;CJLNEPOWEFWYAH-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387318;MM387318;N=CC=C(CN)NNC=N;RFZVAKLMLALSII-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387319;MM387319;C#CC1(C#C)CCC(O)C1;MJPRXVFGCUXYMN-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387320;MM387320;COc1noc(=NN)n1N;OPNPEBNPZQKFOP-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387321;MM387321;C#CC(=C)C(=C)C(O)CC;MHEQXSWPRFKRSB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387322;MM387322;N=CC=C(CF)NNC=N;OLMZKSNVCKWVHS-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387323;MM387323;C=CC(COC=O)NC=N;QAKIDUMZTVHJRE-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387324;MM387324;CCOCCNN=CC=O;VPPVJQHKOHHMFU-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387325;MM387325;C=CC(COC=O)NC=O;XOIUSFMVXSDYPF-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387326;MM387326;O=CNN=C(C=NO)CO;ZEQKSVPGSIDTOC-UHFFFAOYSA-N;145.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387327;MM387327;C=COCC(C#N)NC=N;SZONXBWARNDWHF-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387328;MM387328;COC(C=NN)=NNC=O;MRUJFSBWFNPCPB-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387329;MM387329;N#CC(COC=O)NC=N;NDDLHHILFJVCNE-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387330;MM387330;COC(C=NO)=NNC=O;YQGQNLFRZRBTSI-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387331;MM387331;N#CC(COC=O)NC=O;IPYPITDIKQYPDR-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387332;MM387332;CC=CC(CC)=NOC=O;QSABIWZFEDDCQJ-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387333;MM387333;C=NOCC(C=O)NC=N;MEVOHZKVKZRMCS-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387334;MM387334;NC=CC(CN)=NOC=O;RZKWGKYCDWOMSZ-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387335;MM387335;C=NOCC(C#N)NC=N;DSDIYYJPIPRBKJ-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387336;MM387336;C=COCCNN=CC=O;IZBYDDWRUJHKSR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387337;MM387337;C=NOCC(C#N)NC=O;FSDDREQKCSGEDD-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387338;MM387338;COCC=NN=CNOC;BGESOKOPWYSWJE-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387339;MM387339;CCON=COC(C)C=O;RBXIRRDPTJGUGZ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387340;MM387340;C#CCC=C(C=CF)CN;LDSSFALXMPBDFX-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387341;MM387341;C=COC(C#N)CCC#N;KFBVZEKQHXMDAT-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387342;MM387342;C=CC(C=CC)=CCCC;RSKBYOKPCSSZMX-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387343;MM387343;C=COC(C=C)CNC=N;DASYCHXEHWEWNY-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387344;MM387344;C=CC(C=CC)=CCCN;ZGFJXJKWIBGMNJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387345;MM387345;C=CC(=O)C(=NNC)NC;FKNZZDMXBNHJHZ-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387346;MM387346;CC=CC(C#N)=CCCF;ATNMAIVQQQRUPR-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387347;MM387347;C=COC(C=O)CNC=N;PUUFRPWTUUDHOH-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387348;MM387348;C=CC(C=CC)=CCNC;TXSVVQACLRXIGI-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387349;MM387349;C=COC(C#N)CNC=N;IZTQGVMYSXQWJM-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387350;MM387350;C=CC(C=CF)=CCNC;GXANOCDANVFOQC-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387351;MM387351;N#CC(CNC=O)OC=O;NFLDDLXIUNIYSH-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387352;MM387352;CC=CC(C=O)=CCNC;WVGIRKBSUIWXCG-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387353;MM387353;C=NOC(C#N)CNC=N;XNUBZZHONOOBOC-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387354;MM387354;CC=CC(C#N)=CCNC;MICXXJOVIQGVCG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387355;MM387355;CNN=C(NC)C(F)=CF;XRNLMEWZRCZDLY-UHFFFAOYSA-N;149.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387356;MM387356;C=CC(C=CC)=CCOC;SYTJIDKPOKUKMM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387357;MM387357;C=COCC(C#N)OC=C;XNVWYFZGNASGBD-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387358;MM387358;CC=CC(C#N)=CCOC;HJCQLRNFKFCXMM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387359;MM387359;C=COC(C#N)CON=C;WUIDJCOJCRVRRL-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387360;MM387360;COCC=C(C=O)C=NO;PCWWHARLUPOSSP-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387361;MM387361;C=COCC(C#N)ON=C;AHBSXJGAOINCCW-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387362;MM387362;CC=CC(C=O)=CNCC;SJEJFVSUNCEQQH-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387363;MM387363;C=NOCC(C#N)ON=C;NZCZLXJLDIJXPG-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387364;MM387364;CC=CC(C#N)=CNCC;KYAKXEGHIBPNKN-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387365;MM387365;C=CCNC(C=C)CC=C;FKBBEXREXWMCRV-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387366;MM387366;C=CC(C=CC)=COCC;RPIAEUVUAYMUCX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387367;MM387367;C=CCC(C=C)NCC#N;VTGAQXFOYUTVNI-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387368;MM387368;CC=CC(C#N)=COCC;AERJBNDEEYLFNS-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387369;MM387369;C=CCNC(C=C)CC=O;JWAFAPTUEDVBBD-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387370;MM387370;C=CCC=C(C=O)C=CC;XUXQJWUERKYGQP-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387371;MM387371;C=CCC(C#N)NCC#N;PSPBYJSTINRAAJ-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387372;MM387372;C=CCC=C(C#N)C=CC;BZXLCTIOMAJDFL-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387373;MM387373;CCCN(C=O)NCC=O;LUBIGBNPGVLAKK-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387374;MM387374;C=CCC=C(C=C)C=NN;KGVJMLURXGYLDT-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387375;MM387375;C=CC(CC=O)NNC=N;VWLYMNDSGHKMCP-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387376;MM387376;C=CC(C=CC)=CNC=N;SRYVUEVXFQJRGP-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387377;MM387377;C=CC(CC#N)NNC=N;BPBKYFMEOZUQOF-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387378;MM387378;C=CC(C=CC)=CNC=O;HFTYOFZGGFJYNM-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387379;MM387379;CCOC(=NOC=O)NN;AASMHXCCKZCALC-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387380;MM387380;C=CCCN1C(C)C1C=O;OWUYCKDPSAXOLQ-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387381;MM387381;CC=NN=C(NOC)OC;GOHNBUQXSHMVOD-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387382;MM387382;C=CC(C=NN)=CNC=N;VWRPFPLKKHJUKT-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387383;MM387383;N#CCC(C#N)NNC=N;BLAZOLPOOXHDOJ-UHFFFAOYSA-N;137.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387384;MM387384;CCC1=NN=C(CF)NC1;PBLDMWKTPSYFSO-UHFFFAOYSA-N;143.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387385;MM387385;N#CCC(C#N)NNC=O;BOLUTCDHRIXPMM-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387386;MM387386;C=CC(C=NO)=CNC=O;JDKKDIXJIUDTLE-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387387;MM387387;C=CCC(C=C)OCC=O;GBTQJJAQFRKIDC-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387388;MM387388;C=COC=C(C=C)C=CC;BJYVRBFJMRDWBY-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387389;MM387389;C=CCOC(C=C)CC=O;BQHCVXDWBLMCJM-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387390;MM387390;C=CC(C=CC)=COC=O;AZVFEPOJERHCBI-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387391;MM387391;C=CCOC(C=C)CC#N;RGRVCCIIBIYUHT-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387392;MM387392;CC=CC(C=O)=COC=O;AMZMOKOMQHEYLF-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387393;MM387393;C=CCC(C=C)ONC=O;SGIMUUCZPHPVMR-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387394;MM387394;CC=CC(C#N)=COC=O;ZNRPLUGBJDVXRV-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387395;MM387395;C=CC(CC#N)ONC=O;JYWWAUAIYXSOSM-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387396;MM387396;N=CC=C(C=O)NNC=N;MWTZYJKUTAPQHI-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387397;MM387397;N#CCC(C=O)ONC=O;MQQLHFGJAVUEHK-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387398;MM387398;C#CCC1(O)CCC1;SGEZRFWQVYNBRJ-UHFFFAOYSA-N;110.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387399;MM387399;C=CC(OC=O)OCC=O;WEPVLFVEJYELRO-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387400;MM387400;N=CNNC(C=O)=CN=O;HFTWMNGUGKDTCL-UHFFFAOYSA-N;142.12;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387401;MM387401;C=CCOC(C#N)OC=C;MEUNWRCIMSPVQS-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387402;MM387402;N#CC(C=CN)=NOC=O;XAYMIYHOTZDWKX-UHFFFAOYSA-N;139.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387403;MM387403;C=COC(C#N)OCC=O;PKZFLIKXZJTPPO-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387404;MM387404;C#CCC=C(C=C)C=CF;JSZJZAUJUODUJT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387405;MM387405;N#CC(OC=O)OCC=O;UCVRGBCPIMQVQA-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387406;MM387406;C#CCC=C(C=C)C=NN;WROFOIAYCAKQPJ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387407;MM387407;C=CCOC(C#N)ON=C;PRGUJCLEUYVWTE-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387408;MM387408;C#CC(C=CC)=CCCC;CGXUXDVQKFIACB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387409;MM387409;N#CC#Cc1cc(N)c[nH]1;URSVCNXGJQMIFD-UHFFFAOYSA-N;131.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387410;MM387410;C#CC(C=CC)=CCCF;DAZFXOGMFUWWNW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387411;MM387411;C#CC(C=C)NN=COC;RQCFBZJUGWXJIG-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387412;MM387412;C#CC(C=CF)=CCCC;AEACSFSYVNNNMF-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387413;MM387413;C#CC(C#C)NC=NN=C;YVAXVDWEOSCYFL-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387414;MM387414;C#CC(C=CC)=CCNC;JMXMMEIBBKBFLG-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387415;MM387415;C=COC(C=C)ONC=N;BHXDUCBFNBKRFO-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387416;MM387416;C#CC(C=CF)=CCNC;UGDCUFLDNFPYDE-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387417;MM387417;C=COC(C=C)ONC=O;KZURHLLTBKBIDF-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387418;MM387418;C#CC(C=CC)=CCOC;ARYBZWJNYMCPIY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387419;MM387419;C=COC(C=O)ONC=N;HDRVTSRRHGCRME-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387420;MM387420;C#CC(C=CC)=COCC;KZKSQLGMZWICIH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387421;MM387421;C=COC(C#N)ONC=N;DKJLTJMUBKLTJY-UHFFFAOYSA-N;141.13;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387422;MM387422;C#CC(C=CC)=NNCC;OQVPCBAAMOZAEA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387423;MM387423;C=NOC(C=O)ONC=N;DOSNSWVIXRVUJR-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387424;MM387424;C#CC(C=NO)=NNCC;YCBRGVPYQBVBER-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387425;MM387425;C=CCCN(C=N)CC=C;JGJUGUYERCXPFS-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387426;MM387426;C=C1CC2CC1(O)C2;CMKFWYAVNHGFBI-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387427;MM387427;C=CCN(C=N)CCC#N;FQOOYHCGBAFRHT-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387428;MM387428;C#CC(C=CC)=CCC=C;OTYKQXYDFDQHNH-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387429;MM387429;N#CCCN(C=N)CC=O;LPSNGJVBISXMEX-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387430;MM387430;C#CC(C=CC)=CCC=O;ZSVRBFJFVJAHNW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387431;MM387431;N#CCN(C=N)CCC=O;BXNWNYVKFIRZOF-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387432;MM387432;C#CC(C=NN)=CCC=C;DKHFMFZMDITGQQ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387433;MM387433;C=CCCN(C=O)CC=C;LTIGMDNHNOVHGG-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387434;MM387434;C#CC(C=NO)=CCC#N;CPUMUAFJJVZMJI-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387435;MM387435;CCC(=NN=CNN)NN;CQIRMHOPSGSQDY-UHFFFAOYSA-N;144.18;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387436;MM387436;C#CC(C=CC)=CNC=N;TTWQWQXKHUIWJF-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387437;MM387437;C=CCCN(CC=C)N=C;DNTCWXYWNVWSKH-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387438;MM387438;C#CC(C=NN)=CNC=N;KXMACXXWTWBQED-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387439;MM387439;C=C(CC=O)C(CC)CO;RGWNDQFBAKSQIA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387440;MM387440;OC1(CC2CC2)CC1;HHXKYKYCGQMGLM-UHFFFAOYSA-N;112.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387441;MM387441;C=CCN(CCC#N)N=C;DAAUZVYNEDEKDX-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387442;MM387442;C#CC(C=NO)=CNC=O;QLOHIMPRBPRPCL-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387443;MM387443;C#CC(=NN)N(N)C=NN;ZUMYWKAQSXHXEE-UHFFFAOYSA-N;140.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387444;MM387444;C#CC(C=CC)=COC=C;LUMAEDBJHIRXJS-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387445;MM387445;C#CC1CC(=C)C(=O)CN1;BYKBJKRIJGFYDF-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387446;MM387446;C#CC(C=CC)=COC=O;MHBPIDJCUWXIEE-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387447;MM387447;N#CCCN(C=N)NC=N;UCZVWGLIGIYEIM-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387448;MM387448;C#CC(=CC=N)NNC=N;AJOGLWSAEFMNPE-UHFFFAOYSA-N;136.16;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387449;MM387449;N#CCCN(C=N)NC=O;AILGDEJVPWQDAR-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387450;MM387450;Nc1c[nH]c(N)c1F;IJVAGMAQWZSQHJ-UHFFFAOYSA-N;115.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387451;MM387451;N#CCCN(C=O)NC=N;MBDVQXJNEWFRMC-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387452;MM387452;CC=CC=C(C=CC)CC;GTDJCZATMVHDEI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387453;MM387453;O=CCCN(C=O)NC=O;GVOZNJZVCSLMGR-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387454;MM387454;CC=CC(=CC=CF)CC;PDFCOTBFIIRKQJ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387455;MM387455;N#CCCN(C=O)NC=O;SLOLVMQAJRZMRK-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387456;MM387456;CC=CC(=CC=CF)CN;ULDQOZIISZZTPV-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387457;MM387457;C#CC1CC(=C)C2(O)CC12;AIGZNTHKHMMOMX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387458;MM387458;NCC(C=CF)=CC=CF;KRTJRCOMMBILMW-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387459;MM387459;C=C1CC(=CC)C2CC12O;SAJKBSVPFRSLCK-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387460;MM387460;CCNN=CNOC;RKEWLNCOOKFSDC-UHFFFAOYSA-N;117.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387461;MM387461;C=Cc1[nH]c(NC)cc1C;ROWGVSOJNVPTES-UHFFFAOYSA-N;136.2;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387462;MM387462;NN=c1oncn1N;UBVBZDWLACWDAQ-UHFFFAOYSA-N;115.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387463;MM387463;O=C1C=CC2(CO)CC2C1;ZYYJXYVTQKLQIH-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387464;MM387464;CC=CC(=CC=NO)CN;DXIOQSLLIFDOJH-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387465;MM387465;C=CCON(C=N)CC#N;FCTVPLHWJMFEHF-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387466;MM387466;NN=c1ocnn1N;CHQKKTRLQNPIFZ-UHFFFAOYSA-N;115.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387467;MM387467;C#CCCC(C=C)CC=O;MJYOHCCPTTXBHT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387468;MM387468;CC=CC(=CC=NO)CO;BZCPFVBLUGIDNY-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387469;MM387469;C#CCCC(C=C)CC#N;OTURYKPRJYPWHE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387470;MM387470;NCC(C=NO)=CC=NO;OIDFVGQYDVRHJX-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387471;MM387471;C#CCCC(C#N)CC=C;TUIUXHUMNWFAAW-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387472;MM387472;CC=NN=C(C=CN)CC;CWEXOWACZGURKC-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387473;MM387473;C#CCCC(C#N)CC#N;LSZZGAULKPWFIL-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387474;MM387474;CC=NN=C(C=CN)OC;RXTWQNVKISKQRW-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387475;MM387475;C#CCCC(C=O)NC=N;FJZQKNUBVJYMIJ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387476;MM387476;CC=NN=C(C=CF)OC;ZZEFHXHOZWVSMU-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387477;MM387477;C#CCCC(C=C)NN=C;NGNBPHHAHLHEPH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387478;MM387478;O=C(C1CC1)C1CN1;RETBEDNQAWKXFH-UHFFFAOYSA-N;111.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387479;MM387479;C#CCCC(C=O)OC=O;PYNBEDDUKJIQLI-UHFFFAOYSA-N;140.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387480;MM387480;C=CC(C=CC)=CC=CC;OHRZISYRIWVLHL-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387481;MM387481;C#CCNC(C=C)CC=C;MVPVFWGMWANTBU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387482;MM387482;C=CC(C=CC)=CC=CF;BYNHZCVRGMJZRU-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387483;MM387483;C#CCNC(C=C)CC#N;VMQWJAMUKAUIOG-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387484;MM387484;CC=CC=C(C#N)C=CC;UNOFGRJEDWKJTC-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387485;MM387485;C#CC1(C)C(O)C1C1CC1;CXWUCWLQSOYTEJ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387486;MM387486;CC=CC(C=O)=CC=CF;HGSAVBAJIFZLQS-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387487;MM387487;CNc1[nH]cc(CF)c1C;RSIFEMWALCEJSE-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387488;MM387488;CC=CC(C#N)=CC=CF;KNOOBOPKXWKSTO-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387489;MM387489;C#CCOC(C=O)CC=C;NBUCXTLJCWGFKX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387490;MM387490;CC=CC=C(C=O)C=CF;WVVVYROGZYVBJI-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387491;MM387491;C#CCOC(C=O)CC=O;RVINVAHWHCUFFY-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387492;MM387492;C=CC(C=CC)=CC=NN;MRBFBRLNABEOQI-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387493;MM387493;C#CCCN(C=O)CC=C;VPANOKUZCYGOAC-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387494;MM387494;CCC(C)C1CC1(C)O;MEZQLEFWGUNYQS-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387495;MM387495;C#CCCN(C=O)OC=O;MEDUZHUFDGSGMV-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387496;MM387496;CC=CC(C=O)=CC=NO;SCIVMFWVCRJEMR-UHFFFAOYSA-N;139.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387497;MM387497;CCc1[nH]cc(C#N)c1N;HRPHZSMXXATVGV-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387498;MM387498;CC=CC(C#N)=CC=NO;LOIQXDBUDLVGBQ-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387499;MM387499;C#CCNN(C=O)CC#N;RAAIPPUCURTGGD-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387500;MM387500;CC=NN=C(C=O)C=CN;GZNQATUAZGLBHH-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387501;MM387501;C#CCON(C=O)CC=C;MHUBWPJKXLALCG-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387502;MM387502;CC=NN=C(C#N)C=CN;AGLBBNNVZKSWAZ-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387503;MM387503;C#CCC(C=C)CCCN;QVQSODYCSMUTTE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387504;MM387504;C#CC(C=CC)=CC=CC;QTEXRTAVTRUFKS-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387505;MM387505;C=CCC(C)C1C(C)C1O;MPVOXINWVXOGEG-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387506;MM387506;C#CC(C=CC)=CC=CF;IPMRQRXCIIWJJI-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387507;MM387507;C#CCC(C=C)CCCF;GEISQAZIDVDLSK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387508;MM387508;C#CC(C=CC)=CC=NN;RPMVNDZOOPTAJY-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387509;MM387509;C#CCC(C#N)CCCC;DPCGDJDHQXBJAT-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387510;MM387510;C#CC(C=CC)=CC=NO;JXPCBHLMJCTKHG-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387511;MM387511;C#CCC(C=O)CCCF;GLMCCVRCHZPTRU-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387512;MM387512;C#CC(C=NO)=CC=CC;FVBQMJOJOCELKG-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387513;MM387513;C#CCC(C#N)CCCF;WYWXUAWOZUQHKQ-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387514;MM387514;C#CC(C=CN)=NN=CC;OZJZSNPSAHLNRP-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387515;MM387515;C#CCC(C=C)CCNC;SFUZIHUSXRFLTR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387516;MM387516;C#CC1NC1(C)C(C)=O;MNXYFTXFUQHJRA-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387517;MM387517;C#CCC(C#N)CCNC;RENLKSLOTVDNAO-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387518;MM387518;C#CC(C=NO)=NN=CC;ICMLHIDZAAWGJN-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387519;MM387519;C#CCC(C=C)CCOC;CBCNLZKMUTVAFU-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387520;MM387520;CC#CC=C(C=CC)CC;UAVAYNWKPSSYHO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387521;MM387521;C#CCC(C=O)CCOC;JDMBYVQNBDJWOU-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387522;MM387522;CC#CC=C(C=CC)CO;LLCITZIFSTYRIK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387523;MM387523;C#CCC(C#N)CCOC;PWTKSNHMJKMFMJ-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387524;MM387524;CC#CC=C(C=NO)CN;MRWUFVKGXHFBRF-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387525;MM387525;CC#CC=C(C=NO)CO;KKKKYLHGGQCPMM-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387526;MM387526;C#CCC(C=C)CNCC;IZMGNJDPKWNASS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387527;MM387527;C=CC(C=CC)=CC#CC;BRZSZOOBJXPQGA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387528;MM387528;C#CCC(C=C)NCCC;FXNSQMJFQCVPMK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387529;MM387529;CC#CC=C(C=O)C=CC;XTEXXYCWALNQTC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387530;MM387530;C#CCNN=CC=NOC;HBHAZLBOZVPHEV-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387531;MM387531;CC#CC=C(C#N)C=CC;DXAKUPJCHJHZKG-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387532;MM387532;C#CCC(C=C)OCCC;CFZQIXXLAAHFLW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387533;MM387533;C=CC(C=NN)=CC#CC;CAESTCALPUWTPI-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387534;MM387534;C#CCC(C=C)OCCN;HDJBDQPCWRHTOT-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387535;MM387535;C#CC(C=CC)=CC#CC;BVPZELNHVKOATH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387536;MM387536;C#CCC(C=C)OCCO;SCNWUYFEMUZZKW-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387537;MM387537;C#CC(C=NN)=CC#CC;SVEJSKBSSLTSFA-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387538;MM387538;C#CCC(C=O)OCCC;BFKRDXRIAROJJC-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387539;MM387539;CC#CC(=CCCC)CC;RSJGWVUKXIBELU-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387540;MM387540;C#CCC(C#N)OCCC;MUQLEDYYUJMYBK-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387541;MM387541;CC#CC(=CCCO)CC;OECAXOGACFBRSH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387542;MM387542;C#CCC(C=C)OCOC;HVXCNIAVYMYPNH-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387543;MM387543;CC#CC(=CCCF)CC;KWMKWBXMWNTWSH-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387544;MM387544;C#CCN(C=N)CCCN;UXGOIWTUXBNCRS-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387545;MM387545;CC#CC(=CCCC)CN;QLUZYKWOWKHNCV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387546;MM387546;C#CCN(C=N)CCCO;LNZRSIKKVKANPD-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387547;MM387547;CC#CC(=CCCN)CN;KSJSUPRTSJNHQU-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387548;MM387548;C#CCN(C=N)CCNC;ORWORCDTDKKRJR-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387549;MM387549;CC#CC(=CCNC)CN;KEOYMXDDABQPKT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387550;MM387550;C#CCN(C=O)CCNC;CXUGXHBRJUVRLC-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387551;MM387551;CC#CC(=CCNC)CO;MYVZUTSZXKVTAI-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387552;MM387552;C#CCN(C=N)CCOC;XWNJVDBLMXAKKT-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387553;MM387553;CC#CC(=CCOC)CN;WTAINFALYDVWHE-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387554;MM387554;C#CCN(CCOC)N=C;MVLBUQAYGHDVHU-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387555;MM387555;CC#CC(=CCOC)CF;BVVWUDOWKNKZHL-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387556;MM387556;C#CCN(C=O)NCCN;NXMTUBMPVQNRDK-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387557;MM387557;CC#CC(=CCCC)OC;ZWDIFEYKCQMLKH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387558;MM387558;CCC1(C2NC2C=O)CO1;DUAIQYIHSRNEPF-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387559;MM387559;CC#CC(=CCOC)OC;UYPYWXFTUYYERT-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387560;MM387560;C#CCN(C=N)OCCN;GKVWASRKMJBPLH-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387561;MM387561;CC#CC(=COCC)CC;GGROESHJALCSCE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387562;MM387562;C#CCN(C=O)OCCN;AUCXDPORAXVZHF-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387563;MM387563;CC#CC(=COCC)CN;MNXUBRMVQPCSJX-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387564;MM387564;C#CCN(C=O)OCCO;VBWQYPXKAIEISO-UHFFFAOYSA-N;143.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387565;MM387565;CC#CC(=COCC)OC;QUHJXPYXACRWLN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387566;MM387566;C#CCC(C=C)CCC=O;SWSFNQJKUBGSKL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387567;MM387567;CC#CC(=NO)NCCO;SVPJYNCZXCCCON-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387568;MM387568;C#CCC(C=C)CCC#N;HCGNTMBLZYDJRH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387569;MM387569;CC#CC(CC)=NNCC;MBVYSLIEFCWFGC-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387570;MM387570;C#CCC(C=O)CCC=C;LVVTVMOKUXOEBL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387571;MM387571;CCNN=CN(C)OC;FHWNOEJLCBWOQH-UHFFFAOYSA-N;131.18;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387572;MM387572;C#CCC(C=O)CCC=O;LBVUYGRQNDGVSW-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387573;MM387573;CONC(=NN)OC=O;PQUDIUDZZJMMBG-UHFFFAOYSA-N;133.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387574;MM387574;C#CCC(C#N)CCC#N;DZUYEDHUKLPAGB-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387575;MM387575;CC#CC(CC)=NOCC;SRVCQDNZQZCZIW-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387576;MM387576;C#CCC(C=C)CNC=N;UDYKHKYNYAKYQA-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387577;MM387577;C=C(F)C(C=O)=NNC;IACBOABPYYSLIC-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387578;MM387578;C#CCC(C=C)CNN=C;NPFGDIYPJOLHGB-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387579;MM387579;CC#CC(=NOCC)OC;CLIZOFPZZLCWPQ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387580;MM387580;C#CCC(C#N)COC=O;ZJDVBCBFEZZOGP-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387581;MM387581;C=CCC=C(C#CC)CC;IJBIBMIQJMQGDQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387582;MM387582;C#CCC(C#N)CON=C;MNFVZKFSBIBIDQ-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387583;MM387583;CC#CC(=CCC=O)CO;KEKAMJHCXUMLEM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387584;MM387584;C#CCC(C=C)NCC=C;KIGAQNQUTUWPNF-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387585;MM387585;CC#CC(=CCC#N)CO;PNAMTUBYXLVEJN-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387586;MM387586;C#CCC(C=C)NCC#N;VTVGCRGDYHHFJF-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387587;MM387587;CC#CC(=CCC#N)OC;ILBFHLLSHFDZLS-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387588;MM387588;C#CCC(C=C)NNC=N;KUIPSUVWMHGZLE-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387589;MM387589;CC#CC(=CNC=N)CC;RBRNNKBEYWWBRL-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387590;MM387590;C#CCC(C=C)OCC=C;AFXQNKXVRQDUPZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387591;MM387591;CC#CC(=CNC=O)CC;OHAFYZWXUNBYSA-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387592;MM387592;C#CCC(C=O)OCC=C;RMHVECKLKBKNQK-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387593;MM387593;CC#CC(=CNC=N)CN;FAFDTASYDAAXGP-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387594;MM387594;C#CCC(C#N)ONC=O;MPCKVOIXNXZXKA-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387595;MM387595;CC#CC(=CNC=O)CN;NWBHITIZEYBCQI-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387596;MM387596;C#CCN(C=N)CCC#N;ACUYBBVUPRYINM-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387597;MM387597;CC#CC(=CNC=N)OC;VJJSHNVVDARNAW-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387598;MM387598;CN(C=O)NCC=O;PBYTYKVLTHOPKM-UHFFFAOYSA-N;116.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387599;MM387599;CC#CC(=CNC=O)OC;VTPHLFNFXWAKDX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387600;MM387600;C#CCN(C=O)NCC#N;IDYPJCPIFPZADK-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387601;MM387601;C=COC=C(C#CC)CN;ZMYJPHIESZRSEZ-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387602;MM387602;C#CCCC(C=C)CC#C;UUBSBPRTKPAKBU-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387603;MM387603;C=COC=C(C#CC)OC;LZQNSHKQHMXQNF-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387604;MM387604;C#CCCC(C#N)CC#C;RNYZOPQJKIBSTK-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387605;MM387605;CC#CC(=COC=O)OC;XJDAOLZDTWBFOK-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387606;MM387606;C#CCCN(C=O)CC#C;BLGONCDWVCQNKU-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387607;MM387607;C#CCC=C(C#CC)CC;CWJVNDFBPODVNF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387608;MM387608;C#CC(CCN)CCCF;HWPPAEYWLYCZAU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387609;MM387609;C#CCC=C(C#CC)CN;IRSAPXIYEOOMJW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387610;MM387610;C#CC(CCF)CCCN;YMVYADGXPFKYIA-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387611;MM387611;C#CCC=C(C#CC)CO;UPLXFLGAJMGJEN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387612;MM387612;C#CC(CCF)CCCF;XWUFPOOCYQNYBE-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387613;MM387613;C=CC(C#CC)=CCCC;QJHRPHGUUVWCEA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387614;MM387614;C#CC(CCO)CCNC;NJXWJHAHKUJHDW-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387615;MM387615;C=CC(C#CC)=CCCN;KGXRTWDIIHGYKP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387616;MM387616;C#CC(CCN)CCOC;RKNPUWVJYBDCGD-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387617;MM387617;CC#CC(C=O)=CCCC;LAEAHFXSTRDSFY-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387618;MM387618;C#CC(CCF)CCOC;YFZFYWWOMQZMAT-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387619;MM387619;CC#CC(C#N)=CCCC;OJVZMRWQAWUMMG-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387620;MM387620;C#CC(CCCO)CNC;FQJNHSVTKDKYOI-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387621;MM387621;CC#CC(C#N)=CCCO;FXMILJUYDDNHDV-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387622;MM387622;C#CC(CCN)CNCC;GQBNHTMXZHCXLC-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387623;MM387623;C=CC(C#CC)=CCNC;KOIZBXFHVRYBSX-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387624;MM387624;C#CC(CCF)CNCC;UZSFRXLMMWZJAO-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387625;MM387625;CC#CC(C#N)=CCNC;KAQXKDOCSBNCTL-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387626;MM387626;C#CC(CCF)COCC;LXYWQTORELSUQV-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387627;MM387627;C=CC(C#CC)=CCOC;VGIUUTPTQQXXMV-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387628;MM387628;C#CC(CCCF)NCC;PAXRUNFNYUSPCH-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387629;MM387629;CC#CC(C=O)=CCOC;DWLKXZQNAGULLZ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387630;MM387630;C#CC(CCCC)OCC;MIJRPKYVGHLOKR-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387631;MM387631;CC#CC(C#N)=CCOC;ZUMUSQWJOMJJBY-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387632;MM387632;C#CC(CCOC)OCC;KLGOPSUWQCXQDK-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387633;MM387633;CC#CC(C=O)=CNCC;PFECUSZIEOGKPM-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387634;MM387634;C#CC(CCF)NCCN;MDCKJYQFPZSWJW-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387635;MM387635;CC#CC(C#N)=CNCC;UPHYWIOMPVVCDJ-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387636;MM387636;C#CC(CCF)NCCO;NRRXACYWCIXTFS-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387637;MM387637;C=CC(C#CC)=COCC;ITJCNRZZEAGSRW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387638;MM387638;C#CC(CNC)NCCF;QURBIKQKWUEKGX-UHFFFAOYSA-N;144.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387639;MM387639;C=CC(C#CC)=NNCC;YZCQXUDGGVWWJH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387640;MM387640;C#CC(CCC)OCCC;JHZMRIXXVDVRAQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387641;MM387641;C=CC(C#CC)=NOCC;UPSQPIZZRKCOHP-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387642;MM387642;C#CC(CCN)OCCN;SJWPXEKHRLSERU-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387643;MM387643;C=CC(C#CC)=CCC#N;APOZEYPRUYLHGF-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387644;MM387644;C#CC(CCO)OCCO;FLAQKNFILNJJEW-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387645;MM387645;C=CCC=C(C#N)C#CC;MSAQNUWCOYSMRZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387646;MM387646;C#CC(CCO)OCCF;QJVBXLVZJDZNHH-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387647;MM387647;CC#CC(C#N)=CCC=O;UGDLHRWJTVMWIS-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387648;MM387648;C#CC(CCF)OCCO;QOHJTISTBGTDSM-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387649;MM387649;CC#CC(C=O)=CCC#N;DYXILNFKVBRTDN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387650;MM387650;C#CC(CCO)OCOC;HJXJJKVBBJNMBQ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387651;MM387651;CC#CC(C#N)=CCC#N;QDDBXAOVIYWVAH-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387652;MM387652;C#CC(OCC)OCCC;PUORKRWGNLXTGP-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387653;MM387653;C=CC(C#CC)=CNC=O;IERURTUQSYKCLW-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387654;MM387654;C#CC(CCC)CCC=O;VGAFMDIBHSLIFX-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387655;MM387655;CC#CC(C#N)=CNC=N;BCBWDMPHHWMGGH-UHFFFAOYSA-N;133.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387656;MM387656;C#CC(CCN)CCC=C;DPDQQGICLQHJOX-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387657;MM387657;CC#CC(C=O)=CNC=O;ODIMJHORMXYAAW-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387658;MM387658;C#CC(CCC=C)CNC;DVBCQQRCDQTLOI-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387659;MM387659;CC#CC(C#N)=CNC=O;QRRUCDRESIWBHJ-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387660;MM387660;C#CC(CCC#N)COC;PCRBNJAXLGFWQU-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387661;MM387661;C=CC1CC(C(C)O)C1;XZMZBGHGUGYOSF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387662;MM387662;C#CC(CCN)CNC=N;FPEOCTKPTDWUAX-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387663;MM387663;C=COC=C(C#CC)C=C;MDTYAUXHZBERMM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387664;MM387664;C#CC(CCF)CNC=N;KJLKCAHFDJZOSK-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387665;MM387665;C=CC(C#CC)=COC=O;ZNYQRFHCHKUXRC-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387666;MM387666;C#CC(CNC=N)COC;FONLDKWEDKDITC-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387667;MM387667;C=COC=C(C#CC)C=O;ZCTQFGARKMFIMY-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387668;MM387668;C=C(C)C(C)CC(C)O;NXCBBHHRXZBSFS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387669;MM387669;CC#CC(C#N)=COC=O;RSSXWFCJTGHVAU-UHFFFAOYSA-N;135.12;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387670;MM387670;C#CC(CCC)COC=C;SMMYZKCPGSPIGH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387671;MM387671;CC#CC(C=O)=NNC=O;CGDGJPODJOURPS-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387672;MM387672;C#CC(CCN)COC=C;SGBCVDNTHVDXHU-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387673;MM387673;CC#CC(C#N)=NNC=O;JGWSVPGGHDQXJU-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387674;MM387674;C#CC(CCF)COC=C;GBLUBBJLBCKHCA-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387675;MM387675;C=CC(C#CC)=NOC=O;BAAPVLCAWHUKHP-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387676;MM387676;C#CC(CCF)CON=C;YOSHVDSWDJWTCY-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387677;MM387677;CC#CC(C#N)=NOC=O;PLGZIEFHLQYJBY-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387678;MM387678;C#CC(CNC=N)OCC;ZTUUPVZDFJXJOS-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387679;MM387679;C#CCC=C(C#N)C#CC;CMLWFAQCMIXVGP-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387680;MM387680;C#CC(CNN=C)OCC;ACTHMRSBEMMSPK-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387681;MM387681;C#CC(C#CC)=CCCC;BUCBJZDVQQJSKA-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387682;MM387682;C#CC(COC=C)OCC;UQCXPMXDAHPXHX-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387683;MM387683;C#CC(C#CC)=CCCN;RMEPHYSQKIJXDD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387684;MM387684;C#CC(CON=C)OCC;WXBJGNCOGYCVFS-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387685;MM387685;C#CC(C#CC)=CCCO;WSWZOKLVYINFLD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387686;MM387686;CC1=CC(C)(O)C(C)=C1;URJANSJEVVTWSS-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387687;MM387687;C#CC(C#CC)=CCCF;ONNMECKZLKFXFD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387688;MM387688;C#CC(CCC)NNC=N;MKRNKWXPFOWTEW-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387689;MM387689;C#CC(C#CC)=CCNC;YWEHOJBUZZZBQH-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387690;MM387690;C#CC(CCN)NNC=N;UKMAQOFGZOORBB-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387691;MM387691;C#CC(C#CC)=CCOC;WZCLDHFEKMYSCQ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387692;MM387692;C#CC(CCF)OCC=O;NJIJCSGPEYKZKX-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387693;MM387693;C#CC(C#CC)=COCC;KJGMDFMLWRHCSM-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387694;MM387694;C#CC(OCC)OCC#N;JOHKARUJLNRPKF-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387695;MM387695;C#CC(C#CC)=NNCC;GLPSLHFDWLEBOU-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387696;MM387696;C#CC(OCC)ONC=N;LIWCIRSIKGSFSK-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387697;MM387697;C#CC(C#CC)=NOCC;SHCGFQMTWQFWQH-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387698;MM387698;C#CCCC(C#C)NCC;PVFDZLDGKOWVQQ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387699;MM387699;C#CC(C#CC)=CCC=C;YZIPCWYCGOZPIJ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387700;MM387700;C#CC(CC=C)CCCC;NZJKUKFZCYKHGV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387701;MM387701;C#CC(C#CC)=CCC=O;XIIMEXHZXMWMOT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387702;MM387702;C#CC(CC=C)CCCF;IVLKVVSALKTISD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387703;MM387703;C#CC(C#CC)=CCC#N;FNCDHLYYXGPDAN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387704;MM387704;C#CC(CC#N)CCCO;SWWCCICMMZFMEL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387705;MM387705;C#CC(C#CC)=CNC=N;MBGXFNWGIIZNBR-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387706;MM387706;C#CC(CC=O)CCCF;RKPCXSFEMXBVIA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387707;MM387707;C#CC(C#CC)=CNC=O;JOWXFNWFARBTDO-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387708;MM387708;C#CC(CC=C)CCNC;AZNOMNBVFNTWBQ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387709;MM387709;C#CC(C#CC)=COC=C;KATZUZUPNWPDEA-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387710;MM387710;C#CC(CC=C)CCOC;WCIQAVOHGBVAJU-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387711;MM387711;C#CC(C#CC)=COC=O;CIBYLMQNDQZCSJ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387712;MM387712;C#CC(CC=O)CCOC;XELRQROFLRNZSJ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387713;MM387713;Cc1[nH]c(F)c(N)c1N;WELCVDOTKOQINK-UHFFFAOYSA-N;129.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387714;MM387714;C#CC(CC#N)CCOC;MABMPSOFKKYLRT-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387715;MM387715;C#CC(C#CC)=NNC=O;QHFMKMVZSUMQDY-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387716;MM387716;C#CC(CC=C)CNCC;CMRRXTBQFNNWNA-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387717;MM387717;C#CC(C#CC)=NOC=O;LTBVPTJWWGEHMK-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387718;MM387718;C#CC(CC=O)COCC;QISZEIUGKJAAQJ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387719;MM387719;C#CCC=C(C#C)C#CC;XPYDELFJVAOIHB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387720;MM387720;C#CC(CCCC)NC=N;PRHXBTLLDFOECM-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387721;MM387721;CC#CC(=CC=CC)CC;IYRDYGNPZYCLBG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387722;MM387722;C#CC(CCCN)NC=N;DOGQBRWSSASBEH-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387723;MM387723;CC#CC(=CC=CC)CN;GHJBZHJWBYMEOM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387724;MM387724;C#CC(CCCO)NC=N;BJNVUNHTIFKXEM-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387725;MM387725;CC#CC(=CC=CC)CO;RSWOJJCLUMRYFJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387726;MM387726;C#CC(CCOC)NC=N;SWVFDRKKCQKOPT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387727;MM387727;CC#CC(=CC=CF)CO;ZNAZRGPNXDIUJJ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387728;MM387728;CC1=C(C)C(C)(O)C=C1;MTAYBTCPQJDAEN-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387729;MM387729;CC#CC(=CC=CC)CF;FGLXIIICSKIHJE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387730;MM387730;C#CC(COCC)NC=N;MZVLXMVJICNFDK-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387731;MM387731;CC1NC1C(=O)N(C)N;WSNYGQPAPDVVKU-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387732;MM387732;C#CC(COCC)NC=O;XYAHOAOSXQBHPB-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387733;MM387733;CC#CC(=CC=NO)CF;WGAWIKWEPOOPDN-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387734;MM387734;C#CC(CCOC)OC=C;AXUZRGCRCOWZTC-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387735;MM387735;CC#CC(CC)=NN=CC;OQPPDJGBBFRDSP-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387736;MM387736;C#CC(CNCC)OC=C;HWABSMCUHQCBPY-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387737;MM387737;CC#CC(CO)=NN=CC;FVJFRKXMNPBJTM-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387738;MM387738;C#CC(COCC)OC=C;BRQFACYWCNLVIR-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387739;MM387739;CC#CC(=NN=CC)OC;VQZXBLVKGSOIQH-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387740;MM387740;C#CC(CC=C)NCCN;FCXFBUZVIJIHDC-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387741;MM387741;C=CC(C#CC)=CC=CC;JDVVXGSFOVDGHL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387742;MM387742;C#CC(CC=O)NCCC;NSWXCFBZUBTELF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387743;MM387743;C=CC(C#CC)=CC=CF;VWVGLJXBGFPUQK-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387744;MM387744;C=CC1(O)CC1C(=C)C;GMIWOBGYGVHAJW-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387745;MM387745;CC#CC(C=O)=CC=CC;YWGKYPWMEUKYKL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387746;MM387746;C#CC(CC=C)OCCC;DAJZUVZCHNIBEW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387747;MM387747;CC#CC(C#N)=CC=CC;OBVDJQYDAVSMOE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387748;MM387748;C#CC(CC=O)OCCC;CKWDUJKJLSNRKE-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387749;MM387749;CC#CC(C=O)=CC=CF;DWZBBUVELHCRQA-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387750;MM387750;C#CC(CC#N)OCCC;ZQOMJROWVNZGEV-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387751;MM387751;CC#CC(C#N)=CC=CF;XXFOGOWZAQEZKB-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387752;MM387752;C#CC(OC=C)OCCC;LGIKLOLAQOHAJF-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387753;MM387753;CC#CC(C#N)=CC=NO;BRENZEYBCFPZEH-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387754;MM387754;C#CC(OC=O)OCCO;SLRHYTDKGNNHFN-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387755;MM387755;C=CC(C#CC)=NN=CC;VRGCDVYIVHXVJO-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387756;MM387756;C#CC(OC=O)OCCF;NQIFBLVZEVVVIX-UHFFFAOYSA-N;146.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387757;MM387757;CC#CC(C=O)=NN=CC;PPBLBHDSLHWIMJ-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387758;MM387758;C#CC(OC=O)OCOC;YZCYNPNTBPDDOM-UHFFFAOYSA-N;144.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387759;MM387759;CC#CC(C#N)=NN=CC;BNYYTBKVYFGCGB-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387760;MM387760;C#CC(OCCN)ON=C;AQABXQSRKRKQJY-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387761;MM387761;C#CC(C#CC)=CC=CC;OCSJTZLIBUYVCT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387762;MM387762;C#CC(CC=C)CCC=O;AQUQZBURUZEEJY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387763;MM387763;C#CC(C#CC)=CC=CF;VPOPPXVFZXFIRO-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387764;MM387764;C#CC(CC=O)CCC=C;QYIYSLZHODWKDB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387765;MM387765;C#CC(C#CC)=CC=NN;RVDQLFNKUMHJTG-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387766;MM387766;C#CC(CC#N)CCC=C;KSOMAPUUFSLQAZ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387767;MM387767;C#CC(C#CC)=CC=NO;QUECTASKJCLXPD-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387768;MM387768;C#CC(CC=O)CCC=O;GBJPNHJFUNXYDF-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387769;MM387769;C#CC(C#CC)=NN=CC;LHITWDOBRUBHME-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387770;MM387770;C#CC(CC#N)CCC#N;IONJKWOYQNVXEN-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387771;MM387771;CC#CC=C(C#CC)CC;SWIPPXDRYKAOOW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387772;MM387772;C#CC(CC=C)CNC=N;UYBZBLGAQOIXET-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387773;MM387773;CC#CC=C(C#CC)CN;QMXFZLVGKNUKSZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387774;MM387774;C#CC(CC#N)CNC=N;PQVBDBONFZPNET-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387775;MM387775;CC#CC=C(C#CC)CO;AOKAPNWWDUMJSG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387776;MM387776;C#CC(CC=C)COC=O;RAGSVGCRJKLTHK-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387777;MM387777;CC#CC=C(C#CC)CF;DCKOBCZVRYWGCK-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387778;MM387778;C#CC(CC=O)COC=C;BTOXFAOWXIOYGL-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387779;MM387779;CC#CC=C(C#CC)OC;STOAWQAKFYGKKG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387780;MM387780;C#CC(CC#N)COC=O;NLVNHJCWLSVMEK-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387781;MM387781;C=CC(C#CC)=CC#CC;SNVIBOUJYPQPSH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387782;MM387782;C=CC(CC)CC(C)O;BHTPTUGOYLYNSY-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387783;MM387783;CC#CC=C(C#CC)C=O;OUHLNQPPMXHRRG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387784;MM387784;C#CC(CCC=C)NC=N;IXBUTTWLIFICFY-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387785;MM387785;CC#CC=C(C#N)C#CC;POCATDZATGARKF-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387786;MM387786;C#CC(CNC=N)NC=N;PMEQCJLXFKCXEE-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387787;MM387787;C#CC(C#CC)=CC#CC;XJURFMOZMOGFOG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387788;MM387788;C#CC(CNC=O)OC=C;QFISSUQXWCTEAT-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387789;MM387789;CCC(C)C(CC)C(C)C;OSKIMJMPFNLVOU-UHFFFAOYSA-N;142.29;3.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387790;MM387790;CC(=O)N(C)C(C)C=O;VVNCFCIJLUEUAW-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387791;MM387791;CCC(C)C(CN)C(C)C;KASCYDOFZLSHKC-UHFFFAOYSA-N;143.27;2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387792;MM387792;C#CC(CC=C)NCC=C;HJBAZQLGZSMKHM-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387793;MM387793;CC(C)C(CO)C(C)CN;OPHNWPCERLHLJI-UHFFFAOYSA-N;145.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387794;MM387794;C#CC(CC=O)NNC=O;LZBRJKKOBVGCJK-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387795;MM387795;CC(C)C(CF)C(C)CN;YHLBTDFZMDYQNM-UHFFFAOYSA-N;147.24;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387796;MM387796;C#CC(CC#N)NNC=O;XOTWIAFSWAEYRI-UHFFFAOYSA-N;137.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387797;MM387797;CCC(C(C)N)C(C)CF;BKTOEAMHAPOUGV-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387798;MM387798;C#CC(CC=O)OCC=O;FELGSSYKZKJVPF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387799;MM387799;CCC(C(C)O)C(C)CO;HPJKGEUAOBMJFM-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387800;MM387800;C#CC(CC#N)OCC=O;KFKTWWSHKLSHSF-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387801;MM387801;CC(O)C(CN)C(C)CN;MHLDGYRFRWEVPD-UHFFFAOYSA-N;146.23;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387802;MM387802;C#CC(CC#N)ONC=O;HHKSCBCEINTTHW-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387803;MM387803;CC(O)C(CF)C(C)CO;GOBLZSZLZHIXGV-UHFFFAOYSA-N;150.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387804;MM387804;C#CC(OC=C)ONC=N;DPQJEVKEEOLICS-UHFFFAOYSA-N;140.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387805;MM387805;CC(O)C(CF)C(C)CF;OKQSXYLBUWHQFB-UHFFFAOYSA-N;152.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387806;MM387806;C#CCCC(C#C)NC=O;MTFQHBGCNKYGFF-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387807;MM387807;CCC(C(C)F)C(C)CN;MOWAQUVMZOHXIE-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387808;MM387808;C#CCCC(C#C)NN=C;GOVXSQBAZRLARQ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387809;MM387809;CCC(C(C)F)C(C)CO;VJJXUJUMOASWLS-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387810;MM387810;C#CCC(C#C)CCCN;YVFFMHSPPAOASO-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387811;MM387811;CCC(C(C)F)C(C)CF;PIOWJFCOVOZWOG-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387812;MM387812;C#CCC(C#C)CCCF;QVZPAGSIVFVYIT-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387813;MM387813;CC(F)C(CF)C(C)CF;NQXHRKXJAKWYQH-UHFFFAOYSA-N;154.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387814;MM387814;C#CCC(C#C)CCNC;OHPHDJBGFOMESH-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387815;MM387815;CCC(C)C(CN)C(F)F;YEBNVMPDVCGXFH-UHFFFAOYSA-N;151.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387816;MM387816;C#CCC(C#C)CCOC;LMABEFKQVVYWBB-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387817;MM387817;CC(CF)C(CN)C(F)F;PLRDFLCZEJCQFP-UHFFFAOYSA-N;155.16;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387818;MM387818;C#CCC(C#C)COCC;IJICDMAOEKCSPP-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387819;MM387819;CCC(N)C(CC)C(C)C;UAYAVEGVNCSTEP-UHFFFAOYSA-N;143.27;2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387820;MM387820;C#CCC(C#C)NCCC;WNFFBEXRGLFJTE-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387821;MM387821;CCC(C(C)C)C(N)CN;VKYZOFFMBOKZOI-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387822;MM387822;C#CCC(C#C)NCCN;IBVNTOACDZJDNI-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387823;MM387823;CCC(C(C)C)C(N)CO;GGXHHQKOVQFUGG-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387824;MM387824;C#CCC(C#C)OCCC;XACMMRKIIZSJIN-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387825;MM387825;CCC(N)C(CN)C(C)C;GGKNQNGNXTVDNB-UHFFFAOYSA-N;144.26;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387826;MM387826;C#CCC(C#C)OCCN;MCWLPFXDRZYICL-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387827;MM387827;CC(C)C(CN)C(N)CN;OYXIVRAMBUOWIN-UHFFFAOYSA-N;145.25;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387828;MM387828;C#CCC(C#C)OCCO;ISDMXQIWAJDFFB-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387829;MM387829;CC(C)C(CF)C(N)CN;UTSODEBZMMCITR-UHFFFAOYSA-N;148.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387830;MM387830;C#CCC(C#C)OCOC;YUQUBSPJYBSLJI-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387831;MM387831;CC(C)C(CF)C(N)CF;YNCLSCDDIGZMDC-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387832;MM387832;C#CCC(C#C)NNC=N;WNMWVTUODHCTNG-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387833;MM387833;CCC(C(C)N)C(N)CN;FPIWPCZDQRQSEU-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387834;MM387834;C=C(C=CC)C(O)CC;HTNCPRWNSAOFRF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387835;MM387835;CCC(N)C(CN)C(C)N;LGECFVCYOLSIDP-UHFFFAOYSA-N;145.25;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387836;MM387836;C#CCC(C#C)OCC=C;AFTZPTCCNUBYBE-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387837;MM387837;CCC(N)C(CF)C(C)N;VIXUSRYRCVYHSG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387838;MM387838;C#CCC(C#C)OCC=O;YJKSMLCLWSSINT-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387839;MM387839;CC(N)C(CF)C(N)CF;UVIPNKXBZZHHGC-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387840;MM387840;CCC(CC=CF)CCN;XDQXVHFRERCDBF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387841;MM387841;CCC(N)C(CC)C(C)O;OQYVGFLXSLXTII-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387842;MM387842;CCCC(CN)CC=CF;JKQFIHAFPYIPFL-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387843;MM387843;CCC(C(C)O)C(N)CF;XFAHMNYUDKVRRB-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387844;MM387844;CC=CCC(CN)CCN;RRMWQSCCIFDQQZ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387845;MM387845;CCC(N)C(CN)C(C)O;WFGPWAHVQIAVMY-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387846;MM387846;NCCC(CN)CC=CF;PZDWCEZESCCUKY-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387847;MM387847;CCC(N)C(CC)C(C)F;JLOBTFHEPBLIMT-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387848;MM387848;CC=CCC(CN)CCF;LDBZZOAPSOVJOK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387849;MM387849;CCC(C(C)F)C(N)CF;HGYKALVPVGQCAT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387850;MM387850;NCC(CC=CF)CCF;AGWNSFNDWVXMSX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387851;MM387851;CC(F)C(CN)C(N)CF;OJCCTOVDTNQZQE-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387852;MM387852;CC=CCC(CO)CCF;QQKDJCUOOAZTKE-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387853;MM387853;CC(F)C(CF)C(N)CN;YPTYZKVPOLDOEI-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387854;MM387854;CC(F)C(CF)C(N)CF;MHCWSSMBMCBNDB-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387855;MM387855;CCCC(CF)CC=CF;RYPHUOXCELKEEF-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387856;MM387856;CCC(C(F)F)C(N)CO;DFDWPGUAXPXVEZ-UHFFFAOYSA-N;153.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387857;MM387857;CC=CCC(CF)CCN;JJWWHIHOVMVPCR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387858;MM387858;CCC(N)C(CN)C(F)F;IYYAMEOLOMUXJY-UHFFFAOYSA-N;152.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387859;MM387859;NCCC(CF)CC=CF;AGNPMMMBHNBMRU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387860;MM387860;CCC(N)C(CF)C(F)F;DEARYPKMJVPSFD-UHFFFAOYSA-N;155.16;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387861;MM387861;CC=CCC(CF)CCO;ZKDNLBJRESDPJE-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387862;MM387862;CCC(C(C)C)C(O)CN;QSWVHFNQMGBIFX-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387863;MM387863;OCCC(CF)CC=CF;QEFXEUGXUGLSLQ-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387864;MM387864;CC(C)C(CN)C(O)CO;KVNDMGWZANPGHV-UHFFFAOYSA-N;147.22;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387865;MM387865;FC=CCC(CF)CCF;IOEFXAOLXZGCLK-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387866;MM387866;CCC(O)C(CO)C(C)C;KRYPJSCGSNKAAV-UHFFFAOYSA-N;146.23;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387867;MM387867;NN=CCC(CF)CCF;DWNJVAZPXBFXPB-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387868;MM387868;CCC(C(C)N)C(O)CF;LPLIHNXBCONPLB-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387869;MM387869;ON=CCC(CF)CCF;XRBMIHRAZMYDJL-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387870;MM387870;CC(F)C(CF)C(O)CN;XLPDDLYZTBYDOP-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387871;MM387871;CC=CCC(CF)CNC;UIVOAWBYWWYDBE-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387872;MM387872;CC(F)C(CF)C(O)CO;LJPHTJWYPIRVNR-UHFFFAOYSA-N;154.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387873;MM387873;CNCC(CF)CC=CF;ZIXRDZZDGOLFQN-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387874;MM387874;CCC(F)C(CN)C(C)C;DBZHTEVDCSVPJA-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387875;MM387875;C=CC1=NC(=N)C(=N)N1;TZMANVPWHKGUBQ-UHFFFAOYSA-N;122.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387876;MM387876;CC(C)C(CN)C(F)CF;JUAPYGUYPGTKFZ-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387877;MM387877;CCCC(CC=CF)NC;DPVVNHBHECSROX-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387878;MM387878;CC(C)C(CF)C(F)CN;SPQCDYCBRLKVRW-UHFFFAOYSA-N;151.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387879;MM387879;CNC(CC=CF)CCN;FFOKFOTVNIQPBY-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387880;MM387880;CCC(C(C)N)C(F)CO;YYDCCXQFHDLTPE-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387881;MM387881;CC=CCC(CCF)NC;NHHKLEOIRQBDNV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387882;MM387882;CCC(F)C(CF)C(C)N;HEFRDPLNAFDYFT-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387883;MM387883;CNC(CC=CF)CCF;HMMAKQDJLLJTNC-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387884;MM387884;CC(O)C(CO)C(F)CO;YXBVSJSMJPMBOQ-UHFFFAOYSA-N;152.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387885;MM387885;CCCC(CC=NN)NC;QGRSNQIOQMOMJA-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387886;MM387886;CCC(F)C(CF)C(C)O;XQSOKPMQHSCEPZ-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387887;MM387887;CNC(CC=NN)CCF;MUADFRKBZBTBFY-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387888;MM387888;CC(F)C(CN)C(F)CN;GSWNDAWUCJPTFG-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387889;MM387889;COC(CC=NN)CCF;DYNNXNIBAZPXGL-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387890;MM387890;CC(F)C(CO)C(F)CN;HNFBEUVFRXGQBL-UHFFFAOYSA-N;153.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387891;MM387891;CCNC(CF)CC=CF;UMYZWGXMPYMIRP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387892;MM387892;CC(F)C(CF)C(F)CN;JDCQDWZVJCDDQX-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387893;MM387893;CCNC(CC)CC=NN;OQHABBVHRUWMTC-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387894;MM387894;CNC(C)C(CN)C(C)N;GBBXUTYEMYUSDW-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387895;MM387895;CCC(CCF)N=CNN;FFHFGZUYZFHXRG-UHFFFAOYSA-N;147.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387896;MM387896;CCC(C(C)F)C(C)NC;YMISAPRVKSGDQL-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387897;MM387897;CCCC(CN)N=CNC;PCSCCPWQPHESMY-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387898;MM387898;CNC(C)C(CF)C(C)F;FQIPWJRRBAKYFN-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387899;MM387899;CN=CNC(CN)CCF;MJGZHLFWTUMGAH-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387900;MM387900;CNC(C)C(CF)C(F)F;WYDAEOBFAYJWCI-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387901;MM387901;NCCC(CO)N=CNO;HFGKLHSHEFPMEW-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387902;MM387902;COC(C)C(CO)C(C)N;RIGNLGRICQDWBE-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387903;MM387903;CN=CNC(CF)CCF;FFTFHBODDZWFMI-UHFFFAOYSA-N;150.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387904;MM387904;CCC(C)C(NC)C(C)C;ANHDZQNLQIOTTO-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387905;MM387905;CCC(CNC)N=CNN;SAHRBPJCRKCLBI-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387906;MM387906;CNC(C(C)N)C(C)CN;KPZSAJKQDGPVQC-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387907;MM387907;CCC(COC)N=CNN;SMNJBOALJAQNRQ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387908;MM387908;CCC(C)C(NC)C(C)F;KMNPWFDEOXWGTD-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387909;MM387909;CC=NNC(CN)CCC;KPWSXZVXTGRCAE-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387910;MM387910;CNC(C(C)C)C(N)CF;ZXLCDERTBKGRSR-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387911;MM387911;CC=NNC(CF)CCF;CTWCMQAJRAKPPB-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387912;MM387912;CNC(C(C)F)C(N)CF;CDKATPMMVDPNMO-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387913;MM387913;CC=COC(CO)CCO;HHUNJHHSEDYBNC-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387914;MM387914;CCC(O)C(NC)C(C)C;UDLNZTBDSPIZNH-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387915;MM387915;CCC(CCN)OC=NO;IKRRXDRUWTUNKR-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387916;MM387916;CNC(C(C)C)C(F)CN;DFHUAHAVUFTOEJ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387917;MM387917;NCC(CCO)OC=NO;PDBBOFKLKPLNNR-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387918;MM387918;CCC(F)C(NC)C(C)N;UORGCHZUACNEHU-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387919;MM387919;Cc1cc(CF)[nH]c1N;WRNMWJIODILFOY-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387920;MM387920;Cc1nn(N)c(=NN)o1;RDCVEWLOZTUJCQ-UHFFFAOYSA-N;129.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387921;MM387921;CNCC(CO)OC=CF;YDCXVDYTYZLXGH-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387922;MM387922;CNC(C)C(NC)C(C)C;YGJPDYSEZYOBMR-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387923;MM387923;CNCC(CO)OC=NN;RHKQCZNTKQGFFE-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387924;MM387924;CNC(C)C(NC)C(C)N;YCZVXZGNKPBWNF-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387925;MM387925;CC=COC(CN)COC;ASZCWUGEIBVCIJ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387926;MM387926;CNC(C)C(NC)C(F)F;RLPUATHFBLBZAQ-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387927;MM387927;CCC(COC)OC=NO;PEZPYFSDMXJCNP-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387928;MM387928;COC(C(C)N)C(C)CO;BCHDHWFHBIKDJG-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387929;MM387929;COCC(CN)OC=NO;ZVXHVRLEHDENKM-UHFFFAOYSA-N;148.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387930;MM387930;COC(C(C)C)C(N)CN;APHQAMDCMZHZHJ-UHFFFAOYSA-N;146.23;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387931;MM387931;C=C1CCC(O)C(=C)C1;VEQOHAYZTVWFJV-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387932;MM387932;COC(C(C)O)C(N)CO;UKMVJNKIFNXINK-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387933;MM387933;COC(CCN)OC=CF;DZGPQHIYTBRWIB-UHFFFAOYSA-N;149.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387934;MM387934;COC(C(C)C)C(O)CO;NOAZCRDSOAJDRH-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387935;MM387935;COC(CCN)OC=NO;HOVHDPMKGGECLX-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387936;MM387936;CCC(O)C(OC)C(C)N;MMUWFSDHFCTOAY-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387937;MM387937;CC1=CC2CC2(CO)C1;IZRGIVMUBHIXON-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387938;MM387938;COC(C(C)N)C(O)CO;YBDRQPLPIQKDJQ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387939;MM387939;COC(CCO)OC=NO;WDWIAGJDFYTHBK-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387940;MM387940;COC(C(C)O)C(O)CO;WFUWIVVTQKBMPE-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387941;MM387941;CNCC(OC)OC=NN;JPCIPUFJBCBFPP-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387942;MM387942;COC(C(F)F)C(O)CO;NGCDUIZTCLIDNX-UHFFFAOYSA-N;156.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387943;MM387943;CNCC(OC)OC=NO;FIYGLJLTSKYPIC-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387944;MM387944;COC(C(C)C)C(F)CN;MYDGWZHIALJJCW-UHFFFAOYSA-N;149.21;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387945;MM387945;CC=NOC(CO)CCN;JZWYNWNQYPNTPB-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387946;MM387946;COC(C(C)C)C(F)CO;DXJBAZXXIBXFIK-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387947;MM387947;CC=NOC(CN)COC;YSLGEOFWOWOPJK-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387948;MM387948;COC(C(C)O)C(F)CO;NACSUWVRRMPUJG-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387949;MM387949;C=CC#CC(C)(C)C(C)O;RRIJBMLVCLKVPU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387950;MM387950;COC(C(F)F)C(F)CO;QTAABPDKCIQACT-UHFFFAOYSA-N;158.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387951;MM387951;CC=COC(CN)OCC;YUMWIAKPOVQAOA-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387952;MM387952;CC=COC(CO)OCC;BSVSVVIPVARJCE-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387953;MM387953;COC(C)C(OC)C(F)F;ZEMJJFVBUXGYNB-UHFFFAOYSA-N;154.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387954;MM387954;CCOC(CO)OC=CF;QMVBMEJADNHGLN-UHFFFAOYSA-N;150.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387955;MM387955;CCC(C(C)CF)N(C)C;FJTWXMDZWKSOPV-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387956;MM387956;CC1(C)CC2C(O)C2(C)C1;ZIZYEOLQNKTQNW-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387957;MM387957;CC(CF)C(CO)N(C)C;OJJWTXCFUCJDFO-UHFFFAOYSA-N;149.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387958;MM387958;C#CC(F)C(=N)NN(C)C;YUXQUNYNQOEIBG-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387959;MM387959;CCC(C(N)CN)N(C)C;SLNRYJBCNJBRQG-UHFFFAOYSA-N;145.25;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387960;MM387960;CCOC(CO)OC=NO;MRZDXPIKMRGBSB-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387961;MM387961;CN(C)C(CN)C(O)CN;BNGZYUXSLUXDTK-UHFFFAOYSA-N;147.22;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387962;MM387962;CC=NOC(CF)OCC;NMJOYXTZRJKYGK-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387963;MM387963;NN=c1oc(F)nn1N;NEQVOHORVFPYBJ-UHFFFAOYSA-N;133.09;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387964;MM387964;CC(=CF)C(C)CC(C)O;NOOUHNDPSATDHI-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387965;MM387965;COC(C)C(CO)N(C)C;WEFHKMCIXFPMRN-UHFFFAOYSA-N;147.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387966;MM387966;C=CCC1CC(O)(C=C)C1;CKPZNEIERIATAO-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387967;MM387967;CCN(C)C(CN)C(C)C;GUWOYBCSZSBRBO-UHFFFAOYSA-N;144.26;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387968;MM387968;C=CCC(CN)CC=CF;RIHPVCDJPGAMOF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387969;MM387969;CCN(C)C(CF)C(C)C;KYIGIGIRFADNIW-UHFFFAOYSA-N;147.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387970;MM387970;C=CCC(CF)CC=CF;IMHNSYWGALTBOU-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387971;MM387971;CCN(C(C)C)C(C)CN;BOSDSZSOJGRYBM-UHFFFAOYSA-N;144.26;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387972;MM387972;CC=CCC(CF)CC=O;GQDPOLKCPHGYTP-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387973;MM387973;CCN(C(C)C)C(C)CF;YLNOVFLHQDWCBP-UHFFFAOYSA-N;147.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387974;MM387974;C=CCC(CN)CC=NO;MZLMQZMBUOUJKJ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387975;MM387975;Cc1noc(=NN)n1N;TZMNYNSEYHNUQK-UHFFFAOYSA-N;129.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387976;MM387976;C=CC(CCF)CC(C)O;KBMXCKKSZUMMFE-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387977;MM387977;CCC(C(C)O)C(C)C=O;GAILKYLUYHVHDV-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387978;MM387978;C=CCC(CF)CC=NO;RXNLGNZCYCTLKO-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387979;MM387979;C=CC(C)C(CO)C(C)O;GMYRBJWMVTZXPH-UHFFFAOYSA-N;144.21;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387980;MM387980;C=CCC(CC=CF)NC;XXISSVHNVDWTPY-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387981;MM387981;CC(F)C(CF)C(C)C=O;JVEJHKQXFYSCQV-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387982;MM387982;CC=CCC(CC=O)NC;RKSLQJSIPRZDFO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387983;MM387983;C=CC(C)C(CN)C(F)F;ZLHZOSGOJYRURU-UHFFFAOYSA-N;149.18;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387984;MM387984;CNC(CC=O)CC=CF;GSGZOAJZVQMHCO-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387985;MM387985;CC(C=O)C(CO)C(F)F;KQDCZFZSSNLROP-UHFFFAOYSA-N;152.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387986;MM387986;CC=CCC(CO)NC=O;LSJIJUONWXDTTF-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387987;MM387987;C=CC(C)C(CF)C(F)F;GPMQVLLXCPPYKI-UHFFFAOYSA-N;152.16;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387988;MM387988;CCC(CC=NN)NC=N;CCWOPNCBCKOADV-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387989;MM387989;C=CC(N)C(CF)C(C)C;MVFLLXDRBRLRQL-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387990;MM387990;CCC(CC=NO)NC=N;QPRWTTKSBOZWHT-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387991;MM387991;C=CC(N)C(CF)C(C)F;FUEJPSDOCDRSKP-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387992;MM387992;C#CC1(C)CC(=C)C(O)C1;NNUUYRHZQGEXGG-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387993;MM387993;C=CC(N)C(CN)C(F)F;RBJLEOORKAPWDC-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387994;MM387994;CC1CC2(CO)CC1(C)C2;PQUHWNUZMYKFJM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387995;MM387995;CCC(C(C)C)C(O)C=O;WRUNXNXGLDRXFC-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387996;MM387996;C=NNC(CN)CC=NO;SPDKFARQQMYXHL-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387997;MM387997;CC(C)C(CO)C(O)C#N;CQBGUBBKVMHPPB-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387998;MM387998;C=NNC(CF)CC=NN;NPNSOHQYOIVROA-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM387999;MM387999;C=CC(O)C(CO)C(C)O;FIRCGYPEISUBGX-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388000;MM388000;CC=CCC(CN)OC=O;BFKVKMGKCZOFCS-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388001;MM388001;CC(O)C(CO)C(O)C#N;MKPIJNURSNRQRY-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388002;MM388002;N#CCNCC(=O)C(=N)N;UGTWITNZIFIQRR-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388003;MM388003;C=CC(O)C(CF)C(C)O;XIGQSIPIKGJICE-UHFFFAOYSA-N;148.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388004;MM388004;C=CCC(CN)NC=NC;IGOULWSAWWADCZ-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388005;MM388005;O=CC(O)C(CO)C(F)F;MRVOYKDPUQAKCD-UHFFFAOYSA-N;154.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388006;MM388006;C=CCC(CF)NC=NC;QOQRVLADSCQMMU-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388007;MM388007;C=CC(F)C(CN)C(C)C;NOXLRPXNAVCJEV-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388008;MM388008;C=CCC(CN)NN=CC;SHPINNVSDXKYQW-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388009;MM388009;C=CC(F)C(CF)C(C)N;BCIKRXDDKAEBNT-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388010;MM388010;C#CCc1cc(C)c(N)[nH]1;LYRBZNBFVQPTHQ-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388011;MM388011;C=CC(F)C(CF)C(C)F;BDBFWRJZQWILGC-UHFFFAOYSA-N;152.16;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388012;MM388012;C=CCC(CC)OC=CC;NKWHYPPXTUPTLH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388013;MM388013;CNC(C(C)C)C(C)C=O;IGQWIBFLBBXWNR-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388014;MM388014;C=CCC(CN)OC=CF;KJZIZWCYRNPUBG-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388015;MM388015;C=CC(C)C(NC)C(C)F;KSVYJGYUFPZKHE-UHFFFAOYSA-N;145.22;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388016;MM388016;CC=COC(CO)CC#N;UYSCBQZVGNVSPY-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388017;MM388017;CNC(C(C)F)C(C)C=O;SXCSJSONWYLSRN-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388018;MM388018;N#CCC(CO)OC=CF;UWVZIMJNJIHVGB-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388019;MM388019;C=CC(N)C(NC)C(C)F;IWBZLJWPEIMKTQ-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388020;MM388020;COC(CC#N)OC=CF;GNANHTBKGYFZSI-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388021;MM388021;C=CC(N)C(NC)C(F)F;DBHLIHDNIFPROR-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388022;MM388022;CC=NOC(CF)CC#N;UVRYFCDVEJNSRM-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388023;MM388023;C=CC(F)C(NC)C(C)N;MALZKSPXIDBMKI-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388024;MM388024;C=COC(CN)OC=CF;ZGBQLMILBNLJAB-UHFFFAOYSA-N;147.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388025;MM388025;COC(C(C)O)C(O)C#N;GCJAJTQXNTXJLM-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388026;MM388026;C=COC(CO)OC=CF;LVVUEEWWYFIKEG-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388027;MM388027;C=CC(O)C(OC)C(C)F;XRPZGXYQZLRMNQ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388028;MM388028;N#CC=C1CC2(O)CC1C2;STFHZBUFTMGNDT-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388029;MM388029;COC(C(C)F)C(O)C=O;CMRQKXCDDKFILJ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388030;MM388030;C=COC(CC)OC=NO;OEMNVPZZXFGIQD-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388031;MM388031;COC(C(C)O)C(F)C=O;OXULKNIGQIUQHE-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388032;MM388032;C#CC1(C)CC1C(O)C=C;AOQPMEZKDBIGBT-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388033;MM388033;COC(C(F)F)C(F)C#N;BIYMRCNGCGATPC-UHFFFAOYSA-N;153.1;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388034;MM388034;CCC(OC=O)OC=NO;IJHFYEHSTYAFAH-UHFFFAOYSA-N;147.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388035;MM388035;C=CC(C)C(CO)N(C)C;PLMYKJVOEIOTOL-UHFFFAOYSA-N;143.23;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388036;MM388036;C=COC(CN)OC=NO;LHOWAIOKWZRYJC-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388037;MM388037;C=CC(C)C(CF)N(C)C;HZWVTQZCUREDAN-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388038;MM388038;C=CC1(C#N)NC1C(C)=O;ZPAARWSNLVYLCA-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388039;MM388039;C#CC1ONC(=NN)O1;UICJJKQZPRFCJN-UHFFFAOYSA-N;127.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388040;MM388040;C=COC(CO)OC=NO;IIVKHCFNHZPYOI-UHFFFAOYSA-N;147.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388041;MM388041;C=CC(F)C(CN)N(C)C;ZZGBHWKJXARPAU-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388042;MM388042;C=CC12C=CC(CO)(C1)C2;WMSKLPLCIAEMAC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388043;MM388043;CC(C)C(CN)N(C)C=O;JZPKHQXHWQVDLM-UHFFFAOYSA-N;144.22;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388044;MM388044;O=COC(CF)OC=NO;MFLPXRQOXGZPDK-UHFFFAOYSA-N;151.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388045;MM388045;CC(C)C(CF)N(C)C=N;GMZYEEIODKNVGH-UHFFFAOYSA-N;146.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388046;MM388046;O=CC12C=CC(CO)(C1)C2;DHKXWSKLROFVNX-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388047;MM388047;CC(C)C(CF)N(C)C=O;FDAGEAVRFNAGOM-UHFFFAOYSA-N;147.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388048;MM388048;C=NOC(CC)OC=NO;IKADTQMTIUAJAO-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388049;MM388049;CC(N)C(CO)N(C)C=N;OAZTTYRGFNFWRG-UHFFFAOYSA-N;145.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388050;MM388050;C#CC(C)C(CO)CC=C;NLKPRHWCXRGHHO-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388051;MM388051;CN(C=O)C(CO)C(F)F;COBLBVQBBGJEKO-UHFFFAOYSA-N;153.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388052;MM388052;CC(C)N(C=O)C(C)C=O;FCVWMRMABDQTOH-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388053;MM388053;CC(C)C(CO)N(N)C=N;ATDDPBZPWYSDIR-UHFFFAOYSA-N;145.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388054;MM388054;C=COC(CF)ON=CC;FQDWFZGBWFXWDD-UHFFFAOYSA-N;147.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388055;MM388055;C=NN(C)C(CC)C(C)C;QTIMWJBFCAJOKW-UHFFFAOYSA-N;142.25;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388056;MM388056;C=C1CC(=CC)CCC1O;TTWFZFKPNKXPKG-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388057;MM388057;C=NN(C)C(CN)C(C)C;FTJFFZDIEUPDEY-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388058;MM388058;C#CC1=NNC(=CC=O)N1;YYJYKHQKOXIGRI-UHFFFAOYSA-N;135.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388059;MM388059;C=NN(C)C(CN)C(C)F;UZGFVPADAJIOQY-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388060;MM388060;C#CCC(CC)CC=CC;ZMWIAYMLOHCPEH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388061;MM388061;CCN(C(C)C)N(C)C=N;KXBNRTALSXHCOL-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388062;MM388062;C#CCC(CC)CC=CF;LSGGBIXDOHDWKX-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388063;MM388063;C#CC(C)C(CC)C(C)N;HNKIKXZYIJBSQN-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388064;MM388064;C#CCC(CN)CC=CC;UCSOSVNVPDCNHI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388065;MM388065;C#CC(C)C(CC)C(C)F;RCPMVZXTZNFWSX-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388066;MM388066;C#CCC(CF)CC=CC;JMVNAPYCCKRVTE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388067;MM388067;C#CC(N)C(CF)C(C)F;QTZSYHIMZURWHE-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388068;MM388068;C#CCC(CC)CC=NN;FPEHFKPZEZWZOB-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388069;MM388069;C#CC(O)C(CF)C(C)C;ROFHCYZEPSRXIE-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388070;MM388070;C#CCC(CC)CC=NO;LXUFLSIXYMNIMS-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388071;MM388071;C#CC(O)C(CN)C(C)F;NCLMKCXQKBROOF-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388072;MM388072;C#CCC(CN)CC=NO;GYEVSHJPVZLCKD-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388073;MM388073;C#CC(O)C(CO)C(C)F;DYIUUOMWIWDQOF-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388074;MM388074;C#CCC(CF)CC=NN;HEODMTLGHDVBDT-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388075;MM388075;C#CC(C)C(NC)C(C)C;YXHBRGGHVDFCIX-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388076;MM388076;C#CCC(CC=CF)NC;SGBMESORKCSAMU-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388077;MM388077;C#CC(N)C(NC)C(C)C;VQOITUPZSOTFAA-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388078;MM388078;C#CCC(CC=NN)OC;FJZMDCWGUPUTJP-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388079;MM388079;C#CC(N)C(NC)C(C)F;LNUFJKCSQHLKCC-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388080;MM388080;C#CCC(CC)N=CNC;DRRCQBPTMCKRSZ-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388081;MM388081;C#CC(F)C(NC)C(C)C;ZEGIFQAXQYYXBA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388082;MM388082;C#CCC(CN)NC=NC;XHRGCBVSDYACID-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388083;MM388083;C#CC(N)C(OC)C(C)C;HKGVVUSONCWJLT-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388084;MM388084;CCC1=CC2CC2(CO)C1;XPIYJQJNISDVLO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388085;MM388085;C#CC(O)C(OC)C(C)C;KMTODBQZIXVWEX-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388086;MM388086;C#CCC(CF)NN=CC;KRZYEEBHSXVJOE-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388087;MM388087;C#CC(O)C(OC)C(C)N;JFCIGIFEJZWJDR-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388088;MM388088;C#CCC(CC)OC=CC;OEWNXQDQDUDJPO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388089;MM388089;C#CC(O)C(OC)C(C)F;OFRLBFUGDCWYGK-UHFFFAOYSA-N;146.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388090;MM388090;C#CCC(CC)OC=CF;GLZFEGTZDYXYIF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388091;MM388091;C#CC(F)C(OC)C(F)F;KCZVMXXAOZWAJQ-UHFFFAOYSA-N;152.12;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388092;MM388092;C#CCC(CN)OC=CF;CXNWHCWUMIBIRI-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388093;MM388093;C#CC(O)C(CC)N(C)C;ZVMUKMDAOQTZLK-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388094;MM388094;C#CCC(OC)OC=CF;OBQGBPKVVKWHDJ-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388095;MM388095;C#CC(F)C(CN)N(C)C;RUVAJPLWBDUTMV-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388096;MM388096;OCC12CC(CF)=CC1C2;YSVBWTUOPKHSBW-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388097;MM388097;C=CC(C(C)C)C(C)CN;QSAHDWQDGNHTQW-UHFFFAOYSA-N;141.26;2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388098;MM388098;C#CCN(CC)N=CNC;FBVOZVYIGLIPFC-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388099;MM388099;C#CC(=O)C1NC1CC;NNWYXPGQDYSJGG-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388100;MM388100;C=CC(CC=CF)CCN;DMAFSONOTWLEIZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388101;MM388101;C=CC(C(C)C)C(C)CF;JQRVHMJAOFCSTA-UHFFFAOYSA-N;144.23;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388102;MM388102;C=CC1=CC2(CO)CC1C2;BPWGXYUQWNUHKZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388103;MM388103;CC(C)C(C=O)C(C)CF;FYSWHQHEVRNEHG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388104;MM388104;C=CC(CC=CF)CCF;DXSNNMKPIHDODO-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388105;MM388105;C=CC(C(C)N)C(C)CC;GXAPXSYNMPRWSP-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388106;MM388106;CCCC(C=O)CC=CF;OIWJEHYBTWSKQS-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388107;MM388107;CCC=NN=CNOC;VLWMTWGEFRAPJE-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388108;MM388108;CC=CCC(C=O)CCF;MCGOKMYQUFGEJH-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388109;MM388109;C=CC(C(C)O)C(C)CF;YIORVHYXMWINNQ-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388110;MM388110;O=CC(CC=CF)CCF;HJAWPIFFCGSXON-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388111;MM388111;CCC(C)C(C=O)C(C)O;HRTCTDKMNCONDR-UHFFFAOYSA-N;144.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388112;MM388112;O=CC1=CC2(CO)CC1C2;JKVAMPWBBXMLTN-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388113;MM388113;C=CC(C(C)F)C(C)CC;MFJWIVMCKNLXPP-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388114;MM388114;C=CC(CC=NO)CCF;DJZJJMOIFQOICN-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388115;MM388115;C=CC(C(C)F)C(C)CN;QVMYTGZTEJAASG-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388116;MM388116;CCCC(C=O)CC=NO;GJLONUYTFYBGKG-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388117;MM388117;C=CC(C(F)F)C(C)CC;CPPLFXWCXNNUMG-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388118;MM388118;CCCC(C#N)CC=NO;HKMXJDRWHOEYIS-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388119;MM388119;C=CC(C(F)F)C(C)CN;WZDBCSRYJWELNJ-UHFFFAOYSA-N;149.18;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388120;MM388120;N#CC(CC=NO)CCO;CZNIMLYQGBPBIO-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388121;MM388121;C=CC(C(C)O)C(N)CN;NRMCLJWRXABTMF-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388122;MM388122;C=CC(CC=CC)CNC;LRAOJHOMTKDGCX-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388123;MM388123;C=CC(C(C)F)C(N)CN;ZIUTVJRZMHKOEB-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388124;MM388124;C=CC(CC=CF)CNC;HRILHDLNTQOZIQ-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388125;MM388125;C=CC(C(C)F)C(N)CF;FJQMFCCPCPRKSX-UHFFFAOYSA-N;149.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388126;MM388126;CNCC(C=O)CC=CF;BCIWDJGFVSOROG-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388127;MM388127;C=CC(C(C)C)C(O)CO;MEMNTGGJOQHOTP-UHFFFAOYSA-N;144.21;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388128;MM388128;COCC(C#N)CC=NO;PFXCKUSSQWLOFJ-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388129;MM388129;CC(C)C(C#N)C(O)CO;XGJRORLXXUTZIW-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388130;MM388130;C=CC(CC=CF)NCC;DJOPIPCOSDBQRZ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388131;MM388131;CC(C)C(C#N)C(O)CF;KKYGVGMKFUYYMP-UHFFFAOYSA-N;145.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388132;MM388132;CCOC(C#N)CC=NO;YCWOZMJETPGEEU-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388133;MM388133;C=CC(C(C)N)C(O)CF;BGNIQLJUKXVZRS-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388134;MM388134;C=CC(CCC)N=CNN;VSLBKKJTAXYSKQ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388135;MM388135;C=CC(C(C)O)C(O)CO;HMACECDJHLFWMB-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388136;MM388136;C=CC(CCN)NC=NC;KYRKQEHTZHYULD-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388137;MM388137;CC(O)C(C#N)C(O)CO;BOKYQALKXVLZFS-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388138;MM388138;C=CC(CCN)N=CNO;RUVMDVDYCPDZHE-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388139;MM388139;CC(F)C(C#N)C(O)CF;KJDWGAKYBCECMV-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388140;MM388140;C=CC(CCF)NC=NC;QOIPWEMGJBSUMM-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388141;MM388141;O=CC(C(F)F)C(O)CO;GHNDQWAVQNYGMX-UHFFFAOYSA-N;154.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388142;MM388142;CN=CNC(C#N)CCO;HOQYBOFBNRXCLC-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388143;MM388143;C=CC(C(C)C)C(F)CC;TXSSWRAONKYCLE-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388144;MM388144;C#CC1(C2C(C)C2O)CC1;QUEHKMUYTGORCP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388145;MM388145;C=CC(CNC)NC=NN;HBGAGTVZUJABOR-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388146;MM388146;C=CC(C(C)C)C(F)CN;RZENEXWFKDFCMI-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388147;MM388147;C=CC(C(C)N)C(F)CC;LEXXSDGOXPNFKI-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388148;MM388148;C=CC(CNC)N=CNO;GPAJYROOBRLLND-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388149;MM388149;C=CC(C(C)N)C(F)CN;BXERNAQEKGVNFP-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388150;MM388150;CN=CNC(C#N)CNC;XKXLNYWKTNLGLL-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388151;MM388151;C=CC(C(C)N)C(F)CO;BBWDRXINXHLMOD-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388152;MM388152;CNc1c[nH]c(C#N)c1C;GWPVPVGQLNVZPV-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388153;MM388153;C=CC(C(C)O)C(F)CC;MCVPJBBDMMCRGU-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388154;MM388154;CC=NNC(C=O)CNC;ILFASSICXZLDRR-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388155;MM388155;CC(O)C(C#N)C(F)CO;DLDYNPURBLUVPT-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388156;MM388156;C=CC(CCC)OC=CC;VLHRLCJCJMZQSN-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388157;MM388157;C=CC(C(C)F)C(F)CC;FXHDHOXTLHAUND-UHFFFAOYSA-N;148.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388158;MM388158;C=CC(CCN)OC=CF;ZKDDJTDNOLMKNG-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388159;MM388159;CC(F)C(C#N)C(F)CO;TZJQEQUJYYXYIZ-UHFFFAOYSA-N;149.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388160;MM388160;O=CC(CCO)OC=CF;ZASPNZHRUNCDTF-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388161;MM388161;C=CC(C(F)F)C(F)CC;JORRSDIISQCDGU-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388162;MM388162;O=CC(CCF)OC=CF;LMRXKWAOZCKACL-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388163;MM388163;CNC(C)C(C=O)C(C)F;KHJZLXWACGNXIQ-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388164;MM388164;C=CC(CNC)OC=CF;SQQJUHUMNKKYMP-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388165;MM388165;C=CC(C(F)F)C(C)NC;ADMJCNUFSGOKHL-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388166;MM388166;CC=COC(C=O)CNC;UQPNRRUEPGRGST-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388167;MM388167;C=CC(C(C)CF)N(C)C;FIGBPRNCAVNULJ-UHFFFAOYSA-N;145.22;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388168;MM388168;CNCC(C=O)OC=NO;AESBSTVVAAWKHK-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388169;MM388169;CC(O)C(C)CC(C)(C)C;FSAGPRXMYKEFOS-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388170;MM388170;CC=COC(C#N)COC;WKHJBOKBCOLRAF-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388171;MM388171;CCC(O)CCC(C)(C)C;SURPSGVUTGGMOP-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388172;MM388172;COCC(C#N)OC=CF;NSXYCOIATGLTEN-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388173;MM388173;CNC(C)C(C=O)N(C)C;HPJHHODCJAXYMZ-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388174;MM388174;C=CC(COC)OC=NO;BJYKGBZVMQCNRY-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388175;MM388175;CC(C)N(C=N)C(C)CO;FYDYCXDLVURRSA-UHFFFAOYSA-N;144.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388176;MM388176;CC(C)CC(C)O;WVYWICLMDOOCFB-UHFFFAOYSA-N;102.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388177;MM388177;CC(C)N(C=O)C(C)CN;ZMGLSCFUXRPLEO-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388178;MM388178;CC=COC(C=O)OCC;RRIFZPWPFLZAMW-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388179;MM388179;CCN(C)N(C=N)C(C)C;ZKFZQMZUBRRQRG-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388180;MM388180;CC=COC(C#N)OCC;BQYYOKDUIFYWKG-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388181;MM388181;C=CC(C)C(C=C)C(C)C;NRWZSJAZXLAGMO-UHFFFAOYSA-N;138.25;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388182;MM388182;CCOC(C#N)OC=CF;JRWIVFDKNWNJMU-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388183;MM388183;C=CC(C(C)C)C(C)C=O;QDKKBPIHIHIKAQ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388184;MM388184;Cn1cc(N)nn1;SHCBWIXMCAIFMC-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388185;MM388185;C=CC(C)C(C=O)C(C)C;HFMCACNDUASRHF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388186;MM388186;C=CC(OC=NO)OCC;RTNZLOJCFQYSPY-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388187;MM388187;CC(C)C(C=O)C(C)C=O;QJMRRRNQTZSFND-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388188;MM388188;CCOC(C=O)OC=NO;RVJJUEOGGZWAJP-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388189;MM388189;CC(C)C(C#N)C(C)C=O;BMMUMROQAGEYGJ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388190;MM388190;CCCC(C)(C)CO;QTOMCRXZFDHJOL-UHFFFAOYSA-N;116.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388191;MM388191;CC(C)C(C=O)C(C)C#N;XLXKLMQIPDVRRS-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388192;MM388192;N=CN(CC=CF)CCN;RGMYRGKKTFTTJF-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388193;MM388193;C=CC(C)C(C=C)C(C)N;ZNUDJWRIINSBKG-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388194;MM388194;CC=CCN(C=N)CCO;QPVGBGKRTQKPMZ-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388195;MM388195;CC(C)(CO)C1CC1(C)C;CLYBBNXRIYOFBA-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388196;MM388196;N=CN(CC=CF)CCO;DYIDXLXJIHERFL-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388197;MM388197;C=CC(C(C)O)C(C)C=O;KMEWOFJXXGGLSG-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388198;MM388198;CC=CCN(C=O)CCC;UNTJAUFNTKGBHI-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388199;MM388199;C=CC(C)C(C=O)C(C)O;GUJUIKYFHUFGIW-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388200;MM388200;CCCN(C=O)CC=CF;AZNJJLXEGAHHOS-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388201;MM388201;C=CC(C)C(C=O)C(C)F;DHONLGVKFHSCMP-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388202;MM388202;CC=CCN(C=O)CCO;WELAPDQEQYTZFJ-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388203;MM388203;CC(F)C(C#N)C(C)C#N;KBAXJTSLQOXILA-UHFFFAOYSA-N;140.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388204;MM388204;C=NN(CC=CC)CCN;KFYZIEOXFQVKIF-UHFFFAOYSA-N;141.22;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388205;MM388205;C=CC(C)C(C=C)C(F)F;FCZIDRLUHUIKCG-UHFFFAOYSA-N;146.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388206;MM388206;C=NN(CC=CF)CCN;KALBNRFHXYVCJK-UHFFFAOYSA-N;145.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388207;MM388207;C=CC(N)C(C=C)C(C)C;HQJAEGGVTBLRQM-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388208;MM388208;CCC(C)=CC(C)(C)O;BKDNDFJXCDEXFM-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388209;MM388209;C=CC(O)C(C=C)C(C)O;QHQOBWGBZNLOAI-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388210;MM388210;C=NN(CC=NO)CCC;UZVZUFOOISJMOU-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388211;MM388211;CC(O)C(C#N)C(O)C=O;DIBBHZLHEJSDFG-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388212;MM388212;CCNN(C=O)CC=CF;XLRDDNAEKVNOLF-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388213;MM388213;CC(O)C(C=O)C(O)C#N;ANTRAHNEOKUDOS-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388214;MM388214;CCNN(C=N)CC=NO;NCPUIGHXQZLZQX-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388215;MM388215;CC(O)C(C#N)C(O)C#N;CWXUJYGSOYKQMA-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388216;MM388216;CCON(C=O)CC=NO;SLORSPGNJBSRSO-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388217;MM388217;C=CC(O)C(C#N)C(C)F;DPSQFMPGMXVDHT-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388218;MM388218;N=CN(CCO)NC=NO;FHRPQXRPGWAXHB-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388219;MM388219;O=CC(O)C(C=O)C(F)F;ODMKUNNKQMRQBT-UHFFFAOYSA-N;152.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388220;MM388220;CCCN(C=O)NC=NC;MOCRRJATTUMAEA-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388221;MM388221;C=CC(C(C)C)C(F)C#N;RXYQSAHGWGRVGO-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388222;MM388222;NCCN(C=O)OC=NO;IVVSLBVLTLKSCP-UHFFFAOYSA-N;147.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388223;MM388223;C=CC(F)C(C=O)C(C)C;ODYICZYQWJDDLK-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388224;MM388224;C=C1CC(C)=CC1(C)O;WDGHTRCKOMRCQW-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388225;MM388225;CC(C)C(C=O)C(F)C#N;DUIJKTBCTREGGQ-UHFFFAOYSA-N;143.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388226;MM388226;O=CN(CCF)OC=NO;AQDHKMGWTFHTPL-UHFFFAOYSA-N;150.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388227;MM388227;CC(O)C(C=O)C(F)C#N;XMNYRRVAZVXTHE-UHFFFAOYSA-N;145.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388228;MM388228;C=CCC(C=C)CC=CC;ZGHHDTPHSCMZBR-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388229;MM388229;C=CC(F)C(C=C)C(C)F;FXIKAMIOZGBGBL-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388230;MM388230;C=CC(CC=O)CC=CC;NLRUXOUXWUFVSO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388231;MM388231;C=CC(C(C)F)C(F)C#N;ZVMQZVFXMGWVLM-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388232;MM388232;C=CC(CC#N)CC=CC;WVWIDOCZRGXEAY-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388233;MM388233;N#CC(C(F)F)C(F)C=O;VGOGFCLSQNULND-UHFFFAOYSA-N;151.09;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388234;MM388234;C=CC(CC=O)CC=CF;NLIFNHVWLICIGG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388235;MM388235;N#CC(F)C(C#N)C(F)F;XDWFMPDDTWNFQA-UHFFFAOYSA-N;148.09;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388236;MM388236;C=CCC(C=O)CC=CC;NPRDROWXWYGMPD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388237;MM388237;C#CC1(CC)CC(C)(O)C1;CWGWNWXQAMLRMB-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388238;MM388238;C=CCC(C=O)CC=CF;FJTWSJVGYJMTFI-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388239;MM388239;CC(C)CC1C(O)C1(C)C;GGSSZCUHOJQHFD-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388240;MM388240;CC=CCC(C=O)CC=O;ZHNCUXYSKUDEST-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388241;MM388241;CC#CC(C)C(C)(C)CO;MPESXKKNDXRSAN-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388242;MM388242;O=CCC(C=O)CC=CF;KHJQNIBLOUIUOC-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388243;MM388243;C=CC(C(C)C)N(C)C=N;CRRJXVDQWFVLOB-UHFFFAOYSA-N;140.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388244;MM388244;C=CCC(C=C)CC=NN;SMAGGWMCKPYBPF-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388245;MM388245;C=CC(C(C)C)N(C)C=O;WHZYBIHMLDCCAY-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388246;MM388246;C=CC(CC=O)CC=NO;BIFNTPRXCDHEDP-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388247;MM388247;CC(O)C(C#N)N(C)C=N;GFLYSWSRGHBOPP-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388248;MM388248;N=CNC(C=O)CC=CF;SPGOXEIAWKTLAR-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388249;MM388249;CC(O)C(C#N)N(C)C=O;NXPJRKGIXHIPTQ-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388250;MM388250;N#CC(CC=NO)NC=O;QGEJIVNWQBKDJF-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388251;MM388251;C=CCC(=C)C1CC1(C)O;MBEIBNNJCMIRRP-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388252;MM388252;C=CCC(C=C)NC=NC;GJZOOUOAZBHMPG-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388253;MM388253;CONC(=NN)OC(C)=O;DKPFCZXQEKWEHD-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388254;MM388254;C=CC(CC=O)NC=NC;DQWKCUMEXUUJSC-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388255;MM388255;CC(=O)C1CC(C)(C#N)N1;QAHQFGNMUFNNNC-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388256;MM388256;C=CCC(C=O)NC=NC;PJPGGCIQZNJKKS-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388257;MM388257;C=CC(C)N(C=O)C(C)C;MQLCSQIKUYHGQD-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388258;MM388258;N#CCC(C=O)NC=NO;OZDAKTPQYAMXDQ-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388259;MM388259;CC1CC(C)(CO)CC1C;QSGOFCINNDWELN-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388260;MM388260;C=CCC(C=C)NN=CC;WMQHLDTVMSVNLM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388261;MM388261;C=CC(C)N(C=O)N(C)C;VYBQMMWQRSJLHH-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388262;MM388262;C=CCC(C)CC(C)O;JSELNBHABZUYBU-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388263;MM388263;C#CC(C)C(C=C)C(C)C;FAXVBISJSLKJSR-UHFFFAOYSA-N;136.24;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388264;MM388264;CC(O)CC(C)CC=O;AIWAMPTWDFNJFL-UHFFFAOYSA-N;130.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388265;MM388265;C#CC(C)C(C=O)C(C)C;QKYMSOJWVBOTIQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388266;MM388266;C=C(C)CC(O)C=CC;MDTLRZIDFDKYHS-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388267;MM388267;C#CC(C)C(C=C)C(C)N;MLAWQWHDAVADBL-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388268;MM388268;C=CC(CC#N)OC=CF;LJIZADBBXMFHRD-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388269;MM388269;C#CC(C)C(C=O)C(C)F;MIIFNLCDZGJEKW-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388270;MM388270;C=CCC(C=O)OC=CF;LHPRLUQYOOJXPP-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388271;MM388271;C#CC(C)C(C=C)C(F)F;NGWNGFKBGMWLOZ-UHFFFAOYSA-N;144.16;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388272;MM388272;C=CCC(C#N)OC=CF;UFDUXRHMWNCAEF-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388273;MM388273;C#CC(N)C(C=C)C(C)C;KREXGVNBPGTLDQ-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388274;MM388274;N#CCC(C#N)OC=CF;OKPQRHMBSNEDMO-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388275;MM388275;C#CC(N)C(C=C)C(F)F;GJCMGOJHYADWQK-UHFFFAOYSA-N;145.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388276;MM388276;C=CC(CC#N)OC=NO;WJCJVDNWSIKGFL-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388277;MM388277;C#CC(O)C(C=C)C(C)C;JNWUBZXYJWENRS-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388278;MM388278;O=CCC(C=O)OC=NO;YKYKFCHMCFNLSZ-UHFFFAOYSA-N;145.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388279;MM388279;C#CC(O)C(C=C)C(C)N;LMMOPMPXORCBJF-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388280;MM388280;N#CC(CC=O)OC=NO;WKYHKSGKPLRXHM-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388281;MM388281;C#CC(O)C(C=O)C(C)F;WPYXAMMBFHORHI-UHFFFAOYSA-N;144.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388282;MM388282;C=COC(C=O)OC=CC;QFLDRBJASGFNPP-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388283;MM388283;C#CC(O)C(C#N)C(F)F;YKWLOAWHXQKWPO-UHFFFAOYSA-N;145.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388284;MM388284;C=COC(C#N)OC=CC;FMSZNIRHUWQEGP-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388285;MM388285;C#CC(F)C(C=O)C(C)C;ONERNYKSGOVYSF-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388286;MM388286;C=COC(C#N)OC=CF;LFCDZFGIFMDDTD-UHFFFAOYSA-N;143.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388287;MM388287;C#CC(F)C(C=C)C(C)N;PDUNKFPBZMFOJL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388288;MM388288;CC=COC(C#N)OC=O;AJVNBCMVRNOBFB-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388289;MM388289;C#CC(F)C(C#N)C(F)F;GXZLWTLYOHURCB-UHFFFAOYSA-N;147.1;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388290;MM388290;N#CC(OC=O)OC=CF;JXQHDPKKAWYNEZ-UHFFFAOYSA-N;145.09;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388291;MM388291;C#CC(C(C)C)C(C)CF;CCCABZGSONPMPY-UHFFFAOYSA-N;142.22;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388292;MM388292;C=NOC(C#N)OC=CC;MBRKTPNGHSEOFW-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388293;MM388293;C#CC(C(F)F)C(C)CN;ZTGSNXRYNQNGFH-UHFFFAOYSA-N;147.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388294;MM388294;C=NOC(C#N)OC=CF;GZNFGTSJUIIIEF-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388295;MM388295;C#CC(C(C)C)C(N)CF;PLCKGJKHLKCJJY-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388296;MM388296;CCC(C)(C)C(C)CO;LFRFDOWJBYDJGD-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388297;MM388297;C#CC(C(F)F)C(N)CN;YWBDRFVZACVOHE-UHFFFAOYSA-N;148.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388298;MM388298;C=CC(OC=NO)ON=C;MQBOMDKNOGZUOX-UHFFFAOYSA-N;144.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388299;MM388299;C#CC(C(F)F)C(N)CF;MPMUUDGCRKBMKW-UHFFFAOYSA-N;151.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388300;MM388300;C=COC(C=C)ON=CC;UMFZIYUUVGILBK-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388301;MM388301;C#CC(C(F)F)C(O)CN;KMUMUPWMUINPFX-UHFFFAOYSA-N;149.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388302;MM388302;CC=CCN(C=N)CC#N;LPIGKWGXQSBWBL-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388303;MM388303;C#CC(C(F)F)C(O)CO;RILMYIMTRHEFRC-UHFFFAOYSA-N;150.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388304;MM388304;N=CN(CC=O)CC=NO;BXZJHBBLESFWSR-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388305;MM388305;C#CC(C(C)C)C(F)CN;FKWHJDAXHPTRMM-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388306;MM388306;N#CCN(C=O)CC=NO;KPGGHTXMXLUMBG-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388307;MM388307;C#CC(C(C)N)C(F)CC;JBQJHKXDACWFCI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388308;MM388308;N=CNN(C=N)CC=NO;FRKMEALZWDMKGQ-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388309;MM388309;C#CC(C(C)C)C(C)NC;XDCPVUUEYSCTRY-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388310;MM388310;N=CNN(C=O)CC=NO;GJQOCWLISDXJBW-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388311;MM388311;C#CC(C(C)C)C(C)C=C;ZYRWYACURMPNPN-UHFFFAOYSA-N;136.24;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388312;MM388312;O=CNN(C=O)CC=NO;RKDQKAYMKBKOLB-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388313;MM388313;C#CC(C(C)C)C(C)C=O;IKAJWBILMYCHBR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388314;MM388314;N=CN(CC=CF)OC=O;NEQDBALEEXZFSF-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388315;MM388315;CN=CNN(C=N)CC#N;XFLPJDMSBSWJQA-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388316;MM388316;C#CC(C(C)N)C(C)C=C;FHJUAXOJIRXITK-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388317;MM388317;C=CCN(C=O)NC=NO;VIEIXSRANIHNOQ-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388318;MM388318;C#CC(C(C)F)C(C)C=O;RQEQFCYFNKPECX-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388319;MM388319;CN=CNN(C=O)CC#N;WSVKKOZXPAGKKW-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388320;MM388320;C#CC(C(C)C)C(N)C=C;DPOXZQBBLMBORA-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388321;MM388321;O=CCN(C=O)NC=NO;WZYQCBOTYMRKPZ-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388322;MM388322;C#CC(C(C)F)C(N)C=C;GNFYBVYJRRRPAS-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388323;MM388323;N#CCN(C=N)OC=NO;YOUTXUMXHCWUKT-UHFFFAOYSA-N;142.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388324;MM388324;C#CC(C(C)C)C(O)C#N;MZCURISGOJFMGO-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388325;MM388325;C#CCC(C=C)CC=CC;GEGQWILOUPXJJD-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388326;MM388326;C#CC(C(C)O)C(O)C=C;BIGSGHUKGXIBKO-UHFFFAOYSA-N;140.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388327;MM388327;C#CCC(C=O)CC=CF;DKXRUXQQDSHJLZ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388328;MM388328;C#CC(C(C)F)C(O)C=O;RZSKUVJJELOBFN-UHFFFAOYSA-N;144.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388329;MM388329;C#CCC(C=C)CC=NN;VIUYYXDFSFPLNU-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388330;MM388330;C#CC(C(F)F)C(O)C=O;NRHOVRDQGPTRHG-UHFFFAOYSA-N;148.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388331;MM388331;C#CCC(C=C)CC=NO;FXCKCNJGJFUXHN-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388332;MM388332;C#CC(C(F)F)C(O)C#N;RWCFVBLYTBDCOJ-UHFFFAOYSA-N;145.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388333;MM388333;C#CCC(C=O)CC=NO;PFGCVMJHFIYXAK-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388334;MM388334;C#CC(C(C)C)C(F)C#N;SEEKPVATEGEORL-UHFFFAOYSA-N;139.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388335;MM388335;C#CCC(C#N)CC=NO;POARCSAKEFVBHS-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388336;MM388336;C#CC(C(C)N)N(C)C=O;KZCVBDKBEHOBTR-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388337;MM388337;CCCCC(C)(C)CO;GSSDZVRLQDXOPL-UHFFFAOYSA-N;130.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388338;MM388338;C#CC(C(C)O)N(C)C=N;CFRWAJFXNWRGDG-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388339;MM388339;C#CCC(C=O)NC=NC;ZMWXSLSFEXYYNA-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388340;MM388340;C#CC(C(C)C)N(N)C=O;SAJYGGFIYLZWOH-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388341;MM388341;C#CCC(C=C)NN=CC;VIQQWOTUTJYYCO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388342;MM388342;CC(O)C(C)CC1(C)CC1;YRTBBSPPQNDDCC-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388343;MM388343;CC(C)(CO)CCCF;JABNDFNEPKMXNJ-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388344;MM388344;CN(C)C(=O)ON=CNN;BSPHJKJZONLWGB-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388345;MM388345;C#CCC(C=C)OC=CC;HLLJZPQCJWDXLS-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388346;MM388346;C#CC(C)C(C#C)C(C)C;FPEBIMIQECDULF-UHFFFAOYSA-N;134.22;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388347;MM388347;C#CCC(C#N)OC=CC;HWXSWKIPKRTWAS-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388348;MM388348;C#CC(N)C(C#C)C(C)C;RBGDFXXWSHPMMA-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388349;MM388349;C=CC=CC(C)(C)CO;ZZMQUOJDTXHGIF-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388350;MM388350;C#CC(N)C(C#C)C(C)F;RJRTVZXPSWPIDD-UHFFFAOYSA-N;139.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388351;MM388351;C#CCN(C=N)CC=CC;QYCGQAGLLSOUJN-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388352;MM388352;C#CC(O)C(C#C)C(C)C;ODSFEGODWCVOHV-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388353;MM388353;C=C1C(C)C=CC1(C)O;PQIUFBPQQAQFII-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388354;MM388354;C=C(C)C(CN)C(C)CF;IAZUEFJNGPHKCK-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388355;MM388355;C#CC(CC=CC)CCN;FXYCJCLUUHNHIF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388356;MM388356;C=C(C)C(CF)C(C)CN;XQCHNNVPYSPBRP-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388357;MM388357;C#CC(CC=CF)CCN;COVMNBODQCADLM-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388358;MM388358;C=C(C)C(CF)C(C)CF;DTLQJKJMJBYNRA-UHFFFAOYSA-N;148.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388359;MM388359;C#CC(CC=CF)CCF;MAXBFMDVDJYNPJ-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388360;MM388360;CN(N)C(=O)ON=CNN;BNKPOWXPLLNRAT-UHFFFAOYSA-N;147.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388361;MM388361;C#CC(CC=NO)CCC;SHPWEDFAFQZKRX-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388362;MM388362;CCC(C(N)=O)C(C)CN;GLCZJMVJYKKXKP-UHFFFAOYSA-N;144.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388363;MM388363;C#CC(CC=NN)CCF;PHBKRDBYIMKSTA-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388364;MM388364;CC1CC(=CC#N)CC1O;BUBOYVPFUXMOTH-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388365;MM388365;C#CC(CC=CF)CNC;JNLIFDPQRDMHFV-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388366;MM388366;CCC(C)C(CF)C(N)=O;UTTSXXAANBVLAY-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388367;MM388367;C#CC(CC=CF)NCC;YUQPERBOUGMILH-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388368;MM388368;CC(CF)C(CF)C(N)=O;OOQUGLQVUYDQGM-UHFFFAOYSA-N;151.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388369;MM388369;C#CC(CC=NN)OCC;WAOMMHRKIMQVFC-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388370;MM388370;C=C(F)C(CC)C(C)CN;FBMLAWXGYAIEPD-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388371;MM388371;C#CC(CCC)N=CNC;DUGPQCXBOCPJOX-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388372;MM388372;C=C(F)C(CN)C(C)CC;LFEKIXYFSGQMQU-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388373;MM388373;C#CC(CCN)N=CNO;FMPKCRNUPZOFAI-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388374;MM388374;C=C(F)C(CN)C(C)CN;KTGHLNCLHXIUOH-UHFFFAOYSA-N;146.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388375;MM388375;CCC1(O)C=CC(C)=C1;QAVAQFAZAAEHIW-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388376;MM388376;C=C(F)C(CF)C(C)CN;KCRBQOUIKRKSSM-UHFFFAOYSA-N;149.18;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388377;MM388377;C#CC(CNC)NC=NC;ATVMNRRXRZOWTQ-UHFFFAOYSA-N;139.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388378;MM388378;C=C(C)C(CN)C(N)CN;VQKMJTYHFGYGQF-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388379;MM388379;C#CC(CNC)N=CNN;WZJFAIWNUPFRRQ-UHFFFAOYSA-N;140.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388380;MM388380;CCC(N)C(CC)C(=N)N;UQEHSWDPBDVQKK-UHFFFAOYSA-N;143.23;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388381;MM388381;C#CC(CCN)OC=CF;SSULACXMVUXOHD-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388382;MM388382;N=C(N)C(CO)C(N)CO;SPYXROOOPKPIBC-UHFFFAOYSA-N;147.18;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388383;MM388383;C#CC(CNC)OC=NN;ASAQMTMYRMFKMK-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388384;MM388384;NC(=O)C(CO)C(N)CO;SBNNRSJYTZQIAF-UHFFFAOYSA-N;148.16;-2.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388385;MM388385;CC12CCC(CO)(C1)C2;GSFVBKLZOPHTBW-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388386;MM388386;C=C(F)C(CF)C(N)CC;IIQVZKCKPBWLPT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388387;MM388387;C=CCCC1CC1(C)O;YKKVAFVXCWOGGP-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388388;MM388388;C=C(F)C(CF)C(N)CN;JZTWQGJDDAIVTB-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388389;MM388389;C#CCC(C)C(O)C=C;AYIALQCIKZYBPU-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388390;MM388390;C=C(F)C(CF)C(N)CF;KZDRKIKJKCLLTQ-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388391;MM388391;C#CC(OC=NO)OCC;SGPJHZJBGDOJRZ-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388392;MM388392;C=C(C)C(CC)C(O)CN;MBLVZCBTXLWINU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388393;MM388393;C=CC(O)C(C)C=CC;CSISDYFBPCHGGF-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388394;MM388394;C=C(C)C(CC)C(O)CO;CNUVGQYTOCZKDH-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388395;MM388395;C#CC(CC=C)CC=CF;ZDVNAEKYIGNWRT-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388396;MM388396;C=C(C)C(CN)C(O)CO;HDWKLXRUHKFZMJ-UHFFFAOYSA-N;145.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388397;MM388397;C#CC(CC=O)CC=CC;TUXXITWTWCUMIE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388398;MM388398;C=C(C)C(CN)C(O)CF;CWRUSYKLMKIRFI-UHFFFAOYSA-N;147.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388399;MM388399;C#CC(CC#N)CC=CC;HWQMYIAMRVBXAN-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388400;MM388400;N=C(N)C(CO)C(O)CO;ZGIBBUNYMHKPLK-UHFFFAOYSA-N;148.16;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388401;MM388401;C#CC(CC=O)CC=CF;UFMIADSXLDUHGV-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388402;MM388402;C=C(C)C(CN)C(F)CN;ZQJUAGYKKYDNLJ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388403;MM388403;C#CC(CC#N)CC=CF;RSHVSIBUXBYTJS-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388404;MM388404;C=C(C)C(CF)C(F)CF;DRXIGKAXVFQZBC-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388405;MM388405;C#CC(CC=C)CC=NN;RKMUPIJAWZPGSO-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388406;MM388406;CCC(F)C(CO)C(C)=O;ZVQONFWNAQMQHV-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388407;MM388407;C#CC(CC#N)CC=NO;VDEZMJAHALZYOE-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388408;MM388408;CCC(C(=N)N)C(F)CN;KEMFFIBVYXIUSO-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388409;MM388409;C#CC(CC#N)NC=NO;PFCJCAVVIRTCEO-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388410;MM388410;N=C(N)C(CF)C(F)CF;MKVGDVNGACRKOQ-UHFFFAOYSA-N;154.14;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388411;MM388411;C=C1CC(O)C(=C)C1=C;PKZIBGBMIWJGHD-UHFFFAOYSA-N;122.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388412;MM388412;CN(C=N)N=C(N)C(=O)O;LBPNIEDQJIGCMY-UHFFFAOYSA-N;144.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388413;MM388413;C#CC(CC#N)OC=CC;KMVUNBAYUUPJCH-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388414;MM388414;CCC(C(=O)O)C(F)CF;IZLWELCCMGTSSO-UHFFFAOYSA-N;152.14;1.4;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388415;MM388415;C#CC(CC=O)OC=CF;SUHAEAOEIFCYAU-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388416;MM388416;Cn1c(O)c(O)nnc1=O;IBEMARYIIOSUSB-UHFFFAOYSA-N;143.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388417;MM388417;CC1NN(C=O)CC1=O;ISOPOIGADAHLHY-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388418;MM388418;C=C(F)C(CN)C(F)CC;IHDQKHIGYNIBRU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388419;MM388419;C#CC(OC=C)OC=CF;XGVSCZQERHYOEV-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388420;MM388420;C=C(F)C(CN)C(F)CF;XAUOTEUCTMNYGN-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388421;MM388421;NN=c1oc(N)nn1N;LMPICRVIADIYRB-UHFFFAOYSA-N;130.11;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388422;MM388422;C=C(C)C(CC)C(C)NC;XGSOVBQTVKRAHJ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388423;MM388423;CC1CC2(CO)CC1C2;UXHCOMWQQYKDIP-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388424;MM388424;C=C(F)C(CF)C(C)NC;OIXKCKMVDJQHKY-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388425;MM388425;Cc1c(CF)c[nH]c1N;DQILQNKCIBCAFE-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388426;MM388426;COC(C)C(CO)C(C)=O;WKPGJIJTPWCIPB-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388427;MM388427;C#CCC(C#C)CC=CC;YFHKOLUMMIKMCU-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388428;MM388428;COC(C)C(CO)C(=N)N;GFHSKCWPTLZNCG-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388429;MM388429;C#CCC(C#C)CC=NN;QRUQDZBHTJSOLL-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388430;MM388430;C=C(C)C(NC)C(C)CC;PWTGCSZOWPDEPX-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388431;MM388431;C#CCC(C#C)NC=NC;LEQMLKNMMAVLQZ-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388432;MM388432;C=C(C)C(NC)C(N)CF;UVVZCMPBILWTMM-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388433;MM388433;C#CCC(C#C)OC=CC;CHVAYQKSDFUTNW-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388434;MM388434;CNC(C(=N)N)C(O)CO;XPTKQLCTGFRZAA-UHFFFAOYSA-N;147.18;-2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388435;MM388435;CN1CC1C=CCC=O;GRMALAFBCBZTBD-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388436;MM388436;CNC(C(N)=O)C(O)CN;AVJCHOJGYINDHH-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P5";;;;;;;-3.08;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388437;MM388437;CC#CCC(CO)CCF;PVFKLNLATWBTKU-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388438;MM388438;CNC(C)C(NC)C(C)=O;SVTBLSWHWGVXQF-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388439;MM388439;CC#CCC(CF)CCO;XPSDCKCKKRDGFQ-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388440;MM388440;C=C(C)C(NC)C(C)OC;KOLJVBMOMDFTCR-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388441;MM388441;CC#CCC(CF)CCF;SNWHFRKUULJTRO-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388442;MM388442;CCC(N)C(OC)C(=N)N;XPKVQXWXOMDZAO-UHFFFAOYSA-N;145.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388443;MM388443;CC#CCC(CNC)NC;FMVYIOBGZPEICA-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388444;MM388444;C=C(C)C(OC)C(O)CO;OGXWMAKZSWBNKQ-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388445;MM388445;CC#CCC(CC)OCC;NNCWUGDQOMIRDY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388446;MM388446;COC(C(C)=O)C(O)CF;SJVZIDBMAHCUBT-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388447;MM388447;CCCC1NC1C(C)=O;LUPKAEMQSWRGSI-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388448;MM388448;COC(C(=N)N)C(O)CO;UHCQWTAOOOIRAF-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388449;MM388449;CC#CCC(CO)CC#N;XTFIXTJHVJHIKP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388450;MM388450;COC(C(=N)N)C(O)CF;KVXDUPDAACEGOJ-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388451;MM388451;C=CCC(CF)CC#CC;IHLGWYZMLPSGJZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388452;MM388452;COC(C(N)=O)C(O)CO;ONDCYKFDHGJBDJ-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388453;MM388453;CC#CCC(CF)CC=O;NUZDHFHVTTURAL-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388454;MM388454;C=CC(O)(C#CC)C(=O)O;XYGZURBJMJFUFD-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388455;MM388455;C=CCC(CC#CC)NC;CTMXRXFHURRHEV-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388456;MM388456;C=C(F)C(OC)C(O)CO;YMRKMMPQXSQPFM-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388457;MM388457;CC#CCN(CC)CC#N;DPUQUKAKTAIYJS-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388458;MM388458;C=C(C)C(OC)C(F)CN;LYCUYZILBNUVHO-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388459;MM388459;CC#CCN(CC)NC=N;GVKRDCAXGUBEBR-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388460;MM388460;COC(C(=N)N)C(F)CO;NFTIIPLIUAAFPQ-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388461;MM388461;C#CCC(CC)CC#CC;RQJGKBGZTRQBIV-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388462;MM388462;COC(C(=N)N)C(F)CF;VKVVITJLXKZSCB-UHFFFAOYSA-N;152.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388463;MM388463;CC(=CC(C)(C)O)CCF;KOTWTYHKRIISLQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388464;MM388464;COC(C(N)=O)C(F)CO;DVOMZGFKZSMHJU-UHFFFAOYSA-N;151.14;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388465;MM388465;C#CCC(CF)CC#CC;XGEKPMKGDDBVGE-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388466;MM388466;COC(C(N)=O)C(F)CF;HLOZRERDGIXKEE-UHFFFAOYSA-N;153.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388467;MM388467;CC(C)CCC(C)(C)CO;XVHDCXTVDFQBHZ-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388468;MM388468;CC#CC(C)(O)C(=O)O;PJFZXTVEQDYYFV-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388469;MM388469;CC#CCC(C=O)CCO;YNVZNYQZOLORPX-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388470;MM388470;C=C(F)C(OC)C(F)CO;SNXKJMRQISYIRY-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388471;MM388471;CC#CCC(C=O)CCF;WHNYWJMSTAATJL-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388472;MM388472;CNC(C)C(OC)C(C)=O;LOTBBHVMAGVBBZ-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388473;MM388473;C=CC(CC#CC)CNC;CINOYKYEYOBCNJ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388474;MM388474;CNC(C)C(OC)C(N)=O;CAKAPRPMEZKCCD-UHFFFAOYSA-N;146.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388475;MM388475;C=CC(CC#CC)OCC;LZDQHHLFMUILSA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388476;MM388476;C=C(F)C(OC)C(C)NC;SJRCOTXOWKJMHS-UHFFFAOYSA-N;147.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388477;MM388477;CC#CCN(C=O)CCC;NZZUVYWMVNMSSC-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388478;MM388478;COC(C)C(OC)C(=N)N;BVBPUYQQIGQRJI-UHFFFAOYSA-N;146.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388479;MM388479;CC(F)CCC(C)(C)CO;CUNQHNKKHJHFMK-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388480;MM388480;COC(C)C(OC)C(N)=O;QUTPALTWDSPWQS-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388481;MM388481;CC#CCN(C=N)NCC;QMEICWQRBAYONS-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388482;MM388482;C=C(C)C(CN)N(C)CC;AWTFMHDLHBKNMB-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388483;MM388483;CC#CCN(C=O)NCC;VJZXCPALKUZFPB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388484;MM388484;CCC(C(=N)N)N(C)CC;QDBZOGAZDWRHFI-UHFFFAOYSA-N;143.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388485;MM388485;CC#CCN(C=O)OCC;UFRCVSSKMWTSML-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388486;MM388486;CCC(C)N(CC)C(C)=O;SPRHEOHOMCXOSI-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388487;MM388487;C=CCC(C=C)CC#CC;YWRPKWOCFPZKLW-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388488;MM388488;CCN(C(C)=O)C(C)CN;MXSIINZHSPTPLU-UHFFFAOYSA-N;144.22;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388489;MM388489;C=CC(CC#CC)CC=O;ZHNGDGOHUCLUAB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388490;MM388490;CCN(C(C)=O)C(C)CF;QWDMDDIZZYHLMO-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388491;MM388491;C=CC(CC#N)CC#CC;WEQZTYQULIJYPE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388492;MM388492;CCN(C(=N)N)C(C)CN;KBYZTPCMEGMRCI-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388493;MM388493;C=CCC(C#N)CC#CC;NBFLCWVADBOGGS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388494;MM388494;C=C(C)C1CC(C(C)O)C1;CFLARPGJDOSVSJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388495;MM388495;CC#CCC(C#N)CC=O;FBVISBXHXOCALR-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388496;MM388496;CCC(C)N(NC)C(C)=N;WCTVYDBLLNAGOI-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388497;MM388497;CC#CCC(C#N)CC#N;BDEIDROSNONCNZ-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388498;MM388498;CCC(C)N(NC)C(C)=O;ZAVJVJVSOFTHRJ-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388499;MM388499;CC#CCC(C=O)NC=O;ZYZKHSBCTQRDGF-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388500;MM388500;CCC(C)N(NC)C(=N)N;OSOSNQHWXBQSCE-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388501;MM388501;C=C(C)C=CC(C)(C)CO;IXHDEAZTWAQENI-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388502;MM388502;CCC(C)N(OC)C(C)=N;ZDBVWACVUKSALC-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388503;MM388503;CC#CCN(C=O)CC=O;PKGWPDXGSKKFBF-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388504;MM388504;CCC(C)N(OC)C(C)=O;QWCKMHHEGIZHPT-UHFFFAOYSA-N;145.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388505;MM388505;C#CCC(C=C)CC#CC;KDQJOLOIDPLMJW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388506;MM388506;CON(C(=N)N)C(C)CO;PDRXCNWLFVEZNP-UHFFFAOYSA-N;147.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388507;MM388507;C#CCC(C#N)CC#CC;ZFYRQCKNXGRLNK-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388508;MM388508;CON(C(N)=O)C(C)CO;DAEBXUNEQYSPTR-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388509;MM388509;C#CCN(C=N)CC#CC;CAAQEFNBPPUCAO-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388510;MM388510;C=CC(C)C(CN)C(=C)C;TXTCJHVCKKDGOK-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388511;MM388511;C#CCN(C=O)CC#CC;FDVFCGYUZJWPES-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388512;MM388512;C=C(C)C(CF)C(C)C=O;HZJVEWVDLSIJDW-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388513;MM388513;C#CCN(CC#CC)N=C;NHJQRYGCVSXRDS-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388514;MM388514;CC(=O)C(CO)C(C)C=O;CZWSJJLEZKWNHC-UHFFFAOYSA-N;144.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388515;MM388515;C#CC(CC#CC)CCN;ZJDWOCZVDBGOMI-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388516;MM388516;C=CC(C)C(CC)C(=N)N;DCMNCSMDYOHMBS-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388517;MM388517;C#CC(CC#N)CC#CC;NDPDMOJUAOKHBB-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388518;MM388518;CCC(C(=N)N)C(C)C=O;PPQIPEDYVRLZRH-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388519;MM388519;C#CCC(C#C)CC#CC;OZMKIZXOECXFQX-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388520;MM388520;C=CC(C)C(CF)C(=N)N;CKTSPZQRIYILAW-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388521;MM388521;CC=CC(CC)CCCC;KWJKRSHQUPUUBI-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388522;MM388522;CC(C=O)C(CF)C(=N)N;WKTCTWUVHGUPSK-UHFFFAOYSA-N;146.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388523;MM388523;CC=CC(CC)CCCF;GBCHGHIUYJXSNX-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388524;MM388524;CCC(C(N)=O)C(C)C#N;XBACXRYLZJUWLL-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388525;MM388525;CCC(C=CF)CCCN;VRNTWQBQGFHDIP-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388526;MM388526;C=CC(C)C(CN)C(N)=O;CSGKPRBMBXNXID-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388527;MM388527;CC=CC(CN)CCCC;LKGSRXKWJGNYOI-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388528;MM388528;C=CC(C)C(CF)C(N)=O;BILFETDSNHKCTC-UHFFFAOYSA-N;145.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388529;MM388529;CC=CC(CN)CCCN;PCJDPJVLSSQLHS-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388530;MM388530;C=CC(C)C(CN)C(=C)F;ZJOLWGRBYGPZRO-UHFFFAOYSA-N;143.21;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388531;MM388531;CC=CC(CN)CCCF;DZXCFJOQGPFRAR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388532;MM388532;C=C(F)C(CF)C(C)C=O;SNIWBVJNBMZVNV-UHFFFAOYSA-N;148.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388533;MM388533;CCCCC(C=CF)CN;BQSKWZNSQVFPOZ-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388534;MM388534;C=CC(N)C(CC)C(=N)N;OQYSQPXPLIBOLG-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388535;MM388535;CC(=O)C=CC(C)(C)CO;DNRGKTQCFLQGFV-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388536;MM388536;C=CC(N)C(CC)C(N)=O;TWJFGSOHNGCYMY-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388537;MM388537;CC=CC(CF)CCCN;FZJYMHLOIHFBBB-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388538;MM388538;C=CC(O)C(CO)C(=C)C;DBRLRDJLYFYOKN-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388539;MM388539;NCCCC(C=CF)CF;GTBFCVMZAIOBHE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388540;MM388540;C=CC(O)C(CC)C(C)=O;PYRNTUKQWPRIDM-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388541;MM388541;FC=CC(CF)CCCF;IMZCWQSEYBQSMX-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388542;MM388542;CCC(C(N)=O)C(O)C=O;PQFNHPPXCLCACA-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388543;MM388543;CCC(C=CF)CCNC;ULIPOWIQJZBZGH-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388544;MM388544;CC=CC(CN)CCNC;IITSKMOIURXIHU-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388545;MM388545;O=CNOCOCC(=O)O;HQKREONBPXZTQP-UHFFFAOYSA-N;149.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388546;MM388546;CNCCC(C=CF)CN;SPTUNEIKKACPHD-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388547;MM388547;CC(O)(C=O)C(O)C(=O)O;AZFXWNDHXWNFRE-UHFFFAOYSA-N;148.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388548;MM388548;CC=CC(CF)CCNC;MBTXOZQGHRHAFR-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388549;MM388549;C=C(F)C(CF)C(O)C#N;TUULAKWZTDYTFZ-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388550;MM388550;CNCCC(C=CF)CF;ZQUWSSAYHWVNMK-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388551;MM388551;C=CC(C)C(NC)C(=C)C;ZNJAZABMXHCLMH-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388552;MM388552;CC=CC(CO)CCOC;OXWWHELPCNTMPW-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388553;MM388553;C=CC(C)C(NC)C(C)=O;XABCVPAVUXYORB-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388554;MM388554;C=C(F)C=CC(C)(C)CO;QUNHZOOKKDFOSP-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388555;MM388555;CNC(C(=N)N)C(O)C#N;OXIWAFPYMVDUTR-UHFFFAOYSA-N;142.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388556;MM388556;CCC(C=NN)CCCF;JGXHUEHNAGODPN-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388557;MM388557;CC(=O)C1CC(C(C)O)C1;HFIJPUPVIUCQSN-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388558;MM388558;CCC(C=NO)CCCN;NETYIUSVCBNPPB-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388559;MM388559;C=C1C(C=O)=NNC1(C)C;XZDNIWFNBMCTQG-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388560;MM388560;CCCCC(C=NN)CF;JHQVSTMWYKUWRS-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388561;MM388561;COC(C(=N)N)C(C)C=O;OZGYIGFZHZOJDQ-UHFFFAOYSA-N;144.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388562;MM388562;NN=CC(CF)CCCF;WMOROQQICWRPPZ-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388563;MM388563;COC(C(N)=O)C(C)C=O;LYPLHRXOPDIWQT-UHFFFAOYSA-N;145.16;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388564;MM388564;CCC(C=NN)CCNC;QYRGLYBBYKWRBW-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388565;MM388565;C=CC(N)C(OC)C(=N)N;YAKQLMURBOQFHV-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388566;MM388566;CCC(C=NO)CCNC;QAHSGVBELXEMLN-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388567;MM388567;COC(C(C)=O)C(O)C#N;SXGQLMGMATVQHN-UHFFFAOYSA-N;143.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388568;MM388568;CC=CC(CCCN)NC;SHZGIBPFRWADPP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388569;MM388569;C=CC(O)C(OC)C(=N)N;VWJKTJPYAABXIU-UHFFFAOYSA-N;144.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388570;MM388570;CC=CC(CCCO)NC;RDRLDAANYUIPPT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388571;MM388571;COC(C(=N)N)C(O)C#N;DVHXBHUDVDZZOE-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388572;MM388572;CC=CC(CCCF)NC;FIQHIVLNSNETRW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388573;MM388573;COC(C(N)=O)C(O)C=O;VQUNPOMVBZTOTF-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388574;MM388574;CC=CC(CCNC)NC;YSRJCRZZNOUYFM-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388575;MM388575;C=CC(O)C(OC)C(=C)F;MMJIXIVGLPZNEW-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388576;MM388576;CNC(C=NO)CCCN;HVZLWKPTOIKRKZ-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388577;MM388577;C=CC(F)C(OC)C(=N)N;WSIVPKXBEQMNHQ-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388578;MM388578;CC=CC(CCCC)OC;SHALMXBVMXBMQJ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388579;MM388579;COC(C(=N)N)C(F)C#N;KVMSOVCTVVRPLA-UHFFFAOYSA-N;145.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388580;MM388580;CC=CC(CCOC)OC;QLNZJIYSFBVERC-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388581;MM388581;COC(C(N)=O)C(F)C#N;JJBXTQQMSODAGM-UHFFFAOYSA-N;146.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388582;MM388582;CC=CC(CC)CNCC;ZWCVJUSSBBUHHC-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388583;MM388583;C=C(C)C(CF)N(C)C=O;XNJGBIYKQVXYKU-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388584;MM388584;CCNCC(C=CF)CC;NLMSNOOFHJTMHM-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388585;MM388585;CN(C=N)C(CF)C(=N)N;AFIAJCSLDULKHE-UHFFFAOYSA-N;146.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388586;MM388586;CC=CC(CN)CNCC;XHMATDPNLUGLNT-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388587;MM388587;CN(C=N)C(CO)C(N)=O;LVVGWEFDHNIDIZ-UHFFFAOYSA-N;145.16;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388588;MM388588;CCNCC(C=CF)CN;XERTXNFWZJJXNJ-UHFFFAOYSA-N;146.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388589;MM388589;C=C(F)C(CO)N(C)C=O;NUVVCZSYULQIEU-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388590;MM388590;CC=CC(CF)CNCC;QJMHQNVMKKPXDX-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388591;MM388591;C=C(C)C(CO)N(N)C=N;NZMKNLOQWOZVHT-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388592;MM388592;CCNCC(C=CF)CF;HTYSPLNSWXDOTJ-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388593;MM388593;C#CC1(C)ONC(=NN)O1;PBICGBVNTWGUDB-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388594;MM388594;CCNCC(C=NN)CC;JXJIXCOTTAHOIR-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388595;MM388595;C=C(C)C(CF)N(N)C=N;FSDRDCNRCANXPK-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388596;MM388596;CCNCC(C=NO)CC;HFKXNHFKMSKLKU-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388597;MM388597;N=CN(N)C(CO)C(=N)N;DQBWAQLFLDPNJY-UHFFFAOYSA-N;145.17;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388598;MM388598;CC=CC(CNCC)NC;NFBZIEOUJOIXAS-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388599;MM388599;N=C(N)C(CO)N(N)C=O;MYKYXZOEOKTXFD-UHFFFAOYSA-N;146.15;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388600;MM388600;CCOCC(C=CF)CN;CUVDCJNPJQCTOU-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388601;MM388601;CC(=O)OC(CO)C(=O)O;NPYRZKITDPTBMA-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388602;MM388602;CC=CC(CC)NCCC;OZDLBKFHDVQYEQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388603;MM388603;N=CN(O)C(CO)C(=N)N;YXJPRNFFPGEKOK-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388604;MM388604;CC=CC(CC)NCCN;PARJAJOBFJKJBR-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388605;MM388605;C#CC1=CCC(C)(CO)C1;KYRUZMSEGVWFMR-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388606;MM388606;CC=CC(CC)NCCO;GATZVQZSNXOHNK-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388607;MM388607;C=NN(C)C(CC)C(=N)N;TYHBCTODJCSBTR-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388608;MM388608;CC=CC(CC)NCCF;HBRSILNBLBZKTO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388609;MM388609;C=NN(C)C(CO)C(=N)N;QUEPZSGZNFYFLH-UHFFFAOYSA-N;144.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388610;MM388610;CC=CC(CN)NCCC;YSJPHJMGZVKFHS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388611;MM388611;CCC(O)CCC1(C)CC1;LPTREDCKLGNGMZ-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388612;MM388612;CC=CC(CN)NCCO;AZWFNXSPOSZHEG-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388613;MM388613;C#CC(=CC)CC(O)CC;WDYAUWIKINGJKY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388614;MM388614;NCC(C=CF)NCCF;ZTSKZKMTIDFZEZ-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388615;MM388615;C=CC(C)N(CC)C(C)=N;NRJDFUJLFDCHTG-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388616;MM388616;CC=CC(CC)OCCF;CKVFJRPIJBYIMU-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388617;MM388617;COC(=NN)NC=C(F)F;ARHVQWVMLKJPFO-UHFFFAOYSA-N;151.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388618;MM388618;CCC(C=CF)OCCO;JJDDNVIDHGPOED-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388619;MM388619;CCN(C(=N)N)C(C)C=O;MNMDGKIOFMEVTH-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388620;MM388620;CC=CC(CN)OCCO;HXIXEPCWGAEWAJ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388621;MM388621;CNN(C(C)=O)C(C)C#N;BDLHOPVSGBEYBD-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388622;MM388622;NCC(C=CF)OCCF;YKCYBBLIKMZAQK-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388623;MM388623;C=CC(C)N(OC)C(C)=O;QVUAPVWKOJQLGO-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388624;MM388624;CC=CC(CO)OCCC;INUJUBFYRQNQRY-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388625;MM388625;CCN(C(N)=O)N(C)C=O;BFQXMKXFGIUILA-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388626;MM388626;CCC(C=CF)OCOC;FDMGCNCMGBXQEL-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388627;MM388627;C#CC(C)C(CN)C(=C)C;XCTXNKPFCOWNGA-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388628;MM388628;COCOC(C=CF)CN;JGMWSHHGEQRJAC-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388629;MM388629;CNN=CN(N)C=NOC;SZJNNPDULSPTOP-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388630;MM388630;COCOC(C=CF)CF;DYDAXDMXMVVMTQ-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388631;MM388631;C#CC(C)C(CN)C(=C)F;ZKDCUBYLTJDPDD-UHFFFAOYSA-N;141.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388632;MM388632;CNN=C(C=O)C(C)(C)F;FCUARNDSSPTXEE-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388633;MM388633;C#CC(N)C(CN)C(=C)C;MGQPSIJYZBXFLX-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388634;MM388634;CCCCCC(C)(C)CO;WENIXZFPXMQPQQ-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388635;MM388635;C#CC(N)C(CO)C(=C)F;ZLLHXWDDWPLDKG-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388636;MM388636;CC(C)(CO)CCCCF;JFLVQFUSJRLTTE-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388637;MM388637;C#CC(O)C(CO)C(=C)C;ZMZCIFYZEXNTAY-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388638;MM388638;CC=CC(OC)OCCC;AUOCVMWRHZRUMS-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388639;MM388639;C#CC(O)C(CF)C(=C)C;LSGHVHNNRQSYED-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388640;MM388640;CC=CC(OC)OCCO;HZRLOWPUGYACDM-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388641;MM388641;C#CC(O)C(CC)C(=N)N;SQRHMKYCGIFNMC-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388642;MM388642;COC(C=CF)OCCN;MHJFEKACCDVXOE-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388643;MM388643;C#CC(O)C(CO)C(=C)F;BWPMLZRAICWCRN-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388644;MM388644;COC(C=CF)OCCF;GTHMSTJXHMFNDW-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388645;MM388645;C#CC(F)C(CN)C(=C)C;CSFZGJFLDQCQCU-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388646;MM388646;COCCCC(C)(C)CO;IQZXWRRZPIOGHS-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388647;MM388647;C#CC(F)C(CO)C(=N)N;IGMWHXJXXBXVEM-UHFFFAOYSA-N;144.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388648;MM388648;CC#Cc1nnn[nH]1;NLAXVFOKSOEXNE-UHFFFAOYSA-N;108.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388649;MM388649;C#CC(F)C(CO)C(N)=O;JEGCJKQRQQUUKF-UHFFFAOYSA-N;145.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388650;MM388650;CCCCN(C=NC)CC;PWZULAZWAOAPCY-UHFFFAOYSA-N;142.25;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388651;MM388651;C#CC(O)C(NC)C(=C)C;HCXULWOZTXJSDH-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388652;MM388652;C=CCCCC(C)(C)CO;LKILZIBIYIWJEG-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388653;MM388653;C#CC(O)C(NC)C(=N)N;FVONBSISOFLTIY-UHFFFAOYSA-N;141.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388654;MM388654;CN=CN(CCCN)NC;ZUHIDDGNRULKIY-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388655;MM388655;C#CC(N)C(OC)C(=N)N;WUNYSDBYBWAAPV-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388656;MM388656;CN=CN(CCNC)NC;YCKUEWXBTANPSC-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388657;MM388657;C#CC(O)C(OC)C(=N)N;ZIAVDKXVRZZWLC-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388658;MM388658;CC(C)(CO)CCCC#N;HUUGXEHUQJBOKP-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388659;MM388659;C#CC(O)C(OC)C(N)=O;SUQGNPLXGNMZNY-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388660;MM388660;CCCCN(C=NO)OC;VPNMWSASSBRLSF-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388661;MM388661;C#CC(O)C(OC)C(=C)F;DPZNKJAUQKGCPL-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388662;MM388662;CC=NN(CC)CCCN;GMVPVZNYBYIMOZ-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388663;MM388663;C#CC(F)C(OC)C(C)=O;CMMJGSCMQCNGOY-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388664;MM388664;C#CCCCC(C)(C)CO;OBJWFHJBZDKDJS-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388665;MM388665;C#CC(F)C(OC)C(N)=O;GAATUIZUYTVVQS-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388666;MM388666;CC=NN(CC)CCCF;ALXLCHMNPNDVHH-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388667;MM388667;C#CC(C)N(NC)C(C)=N;KYHJVQWPWANVSW-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388668;MM388668;CCN(C=NC)NCCN;QEYFNEZXZJMWFZ-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388669;MM388669;C#CC(C)N(NC)C(C)=O;ZERHSAVDYSTSEO-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388670;MM388670;CCN(C=NC)NCCO;MPMFBXSBZHYCGM-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388671;MM388671;C#CC(C)N(OC)C(=N)N;UFKADMMWZMXJNA-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388672;MM388672;CCCON(C=NO)CC;ZKPSGQKJNQKYPF-UHFFFAOYSA-N;146.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388673;MM388673;C#CC(C)N(OC)C(N)=O;ARZHKIQHBCPENJ-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388674;MM388674;CC=CC(CC)CCC=O;KZPJZWPQMCOEAT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388675;MM388675;C=CC(C(=C)C)C(C)CN;NCVCPXINDUNEDY-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388676;MM388676;C=CCCC(C=CF)CN;VFOQUOARTGPLAP-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388677;MM388677;C=CC(C(=C)C)C(C)CF;XMVNXVATFAGMQB-UHFFFAOYSA-N;142.22;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388678;MM388678;CC=CC=CC(C)(C)CO;NTPYFQRNKZWLME-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388679;MM388679;C=C(C)C(C=O)C(C)CO;ANQRDZXJBUUHFW-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388680;MM388680;CC=CC(CF)CCC=O;CUMLPOFWVBGIAV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388681;MM388681;C=C(C)C(C#N)C(C)CF;VCJFBTWETOHTBK-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388682;MM388682;O=CCCC(C=CF)CF;XSKXRNPEWRHSDV-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388683;MM388683;C=CC(C(C)=O)C(C)CC;MFACPMVEALKGGI-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388684;MM388684;C=CCCC(C=NO)CO;AUAQXBUIKMABQB-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388685;MM388685;C=CC(C(=N)N)C(C)CC;HPMHEDJAZULIOB-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388686;MM388686;CC=CC(CCC=O)NC;MGHVSFYMHCZPTR-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388687;MM388687;C=CC(C(=N)N)C(C)CN;ZJDATGXSWXEMND-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388688;MM388688;C=CCCC(C=CF)NC;HLAHMXGUBXZNTK-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388689;MM388689;COC(=N)NC=NC=NN;CQDXYTDQBGZCHO-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388690;MM388690;C=CCCC(C=NO)NC;MCSYGBINESCCQW-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388691;MM388691;C=C(F)C(C=O)C(C)CC;GQGAXHOVHROANG-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388692;MM388692;CC=CC(CN)CNC=O;FBJIUWILHIDTLN-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388693;MM388693;C=C(F)C(C=O)C(C)CF;KEQFOLGSLOIIGE-UHFFFAOYSA-N;148.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388694;MM388694;CC=CC(CO)CNC=O;BTBUZSZPGSLAQV-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388695;MM388695;N=CNCC(C=CF)CF;QCOPVDPLOSLKCC-UHFFFAOYSA-N;148.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388696;MM388696;C=CC(C(=C)C)C(N)CC;KCFCRRZLTTXDQP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388697;MM388697;C=NNCC(C=CC)CC;HNBFMAAOGIXEFY-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388698;MM388698;C=CC(C(=C)C)C(N)CF;PVGAEDJRZHLRBQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388699;MM388699;CCC(C=NO)CNC=O;YLIDTCQEHYGXDI-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388700;MM388700;C=CC(C(=N)N)C(N)CC;QGNAFIFTQPDNLM-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388701;MM388701;C=NNCC(C=NN)CC;WXOSGUVWMWCQJY-UHFFFAOYSA-N;142.21;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388702;MM388702;C=CC(C(=C)F)C(N)CC;LGMOLIGMWIOWTK-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388703;MM388703;C=NNCC(C=CC)NC;JWFSHBNAUFJWND-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388704;MM388704;C=NOC(=NN)N(N)C=N;XTBKQQJFQLLBJQ-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388705;MM388705;CC=CC(CNC=N)OC;IOKLKFKZJDQDSV-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388706;MM388706;C=CC(C(=C)C)C(O)CF;PLZIVUMRCKACOS-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388707;MM388707;COC(C=CF)CNC=O;HBUZKONSQUWPOA-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388708;MM388708;C=C(C)C(C=O)C(O)CC;IPXNTRFFLRYCNE-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388709;MM388709;COC(C=NN)CNC=N;FUPYALKNBGEUON-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388710;MM388710;CC(=O)C(C#N)C(O)CO;SYRUNRKJRGPKHD-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388711;MM388711;C=COCC(C=CC)CC;JJKFHLCYPBMOAJ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388712;MM388712;N#CC(C(=N)N)C(O)CO;PAIBVTUCAYCIEC-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388713;MM388713;C=COCC(C=CF)CN;VNBZTHQJAVBFPG-UHFFFAOYSA-N;145.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388714;MM388714;CCC(O)C(C#N)C(N)=O;NGZDOADALJVSPS-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388715;MM388715;CC=CC(CF)COC=O;NODXDQNQYZUAAH-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388716;MM388716;C=C(F)C(C=O)C(O)CO;LXLSOJLDAOQQON-UHFFFAOYSA-N;148.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388717;MM388717;O=COCC(C=CF)CF;YYAXLEMVKPZEAR-UHFFFAOYSA-N;150.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388718;MM388718;C=C(F)C(C#N)C(O)CF;DQMCMFZTHVJYSB-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388719;MM388719;C=NOCC(C=CC)CC;MZHXCBPKNUWAOI-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388720;MM388720;C=C(C)C(C=O)C(F)CC;SYCNFIPJTAYPRQ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388721;MM388721;C=COCC(C=NO)CO;OJRSOLVXVMAUMK-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388722;MM388722;C=CC(C(=N)N)C(F)CF;HOFRDJMDGNKGHG-UHFFFAOYSA-N;148.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388723;MM388723;C=COCC(C=CF)NC;WLAHKJFUZPMUSE-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388724;MM388724;N#CC(C(=N)N)C(F)CO;BHRRCCAKLFYUDJ-UHFFFAOYSA-N;145.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388725;MM388725;C=CCNC(C=CC)CC;ZDPSRHUZHLIENC-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388726;MM388726;C=CC(C(N)=O)C(F)CC;MDLWZGDGVQVCRH-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388727;MM388727;C=CCNC(C=CF)CN;NUFJPUNZANNSNN-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388728;MM388728;C=CC(C(N)=O)C(F)CF;JBFKFTPVELCXKF-UHFFFAOYSA-N;149.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388729;MM388729;CC=CC(CC)NNC=N;RPGIJPVHLCOTPO-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388730;MM388730;CCC(F)C(C#N)C(N)=O;ZZMROTCKAAVZPJ-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388731;MM388731;C=C(F)C(C#N)C(F)CO;NULRQWIBTFPCGF-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388732;MM388732;CC(C)(C=CC=CF)CO;DTLZQYFNYLOJNP-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388733;MM388733;C=CC(C(=C)C)C(C)NC;YHOREEZFTQWGIN-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388734;MM388734;C=CCOC(C=CC)CC;JVHGDACMGAAJQZ-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388735;MM388735;C=C(C)C(C=O)C(C)NC;OLGWVJCEQJNTNU-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388736;MM388736;C=CCOC(C=CC)CN;GBVLUZBWJGHTPC-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388737;MM388737;CNC(C)C(C=O)C(C)=O;BCFBMUAEMBKBTP-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388738;MM388738;C=CCOC(C=CC)OC;GKLWPILQHOLGLT-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388739;MM388739;C=CC(C(=N)N)C(C)NC;XSELGGBQXRMPNG-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388740;MM388740;C=NN=CC(=NN)C(=O)O;PCTCOAORORYNRG-UHFFFAOYSA-N;142.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388741;MM388741;C=CC(C(N)=O)C(C)NC;YUXZDKUCARAXOR-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388742;MM388742;CC=CC(CC)ONC=N;HSICVBDSLCYKHP-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388743;MM388743;C=CC(C(C)=O)C(C)OC;SFYYYISZZBDDHT-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388744;MM388744;CC=CC(CC)ONC=O;MYRVRQZJLNKGOE-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388745;MM388745;C=CC(C(=N)N)C(C)OC;YERFGPNJYPKVKZ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388746;MM388746;CC=CC(CF)ONC=O;XDOHVQGLQHCPPK-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388747;MM388747;C=CC(C(=C)C)N(C)CC;UZQWLSKSDKSMEN-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388748;MM388748;N=CNOC(C=CF)CF;YRJVLTHBTDJRSR-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388749;MM388749;C=C(C)C(C#N)N(C)CC;QYKCIHGIABEHLW-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388750;MM388750;CCC(C=NN)ONC=N;ZWBQEUOWRQJVAG-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388751;MM388751;C=C(C)N(C=N)C(C)CN;QXOPMTJADQKZPP-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388752;MM388752;CCC(C=NN)ONC=O;NXJPPASBXPUHDB-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388753;MM388753;C=C(C)N(C=N)C(C)CF;ROWAZSSWQXAMJS-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388754;MM388754;COC(C=CF)ONC=N;TVFXSFUTUIEADT-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388755;MM388755;C=C(C)N(C=O)C(C)CN;NSZMMXHULXKVCX-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388756;MM388756;COC(C=NN)ONC=N;XDKYIQMMZJAZFG-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388757;MM388757;C=CN(C(C)=N)C(C)CC;JCZZJYWHZMFZRV-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388758;MM388758;C=CCCN(C=NC)CC;HTJKYHLCABQVKK-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388759;MM388759;C=CN(C(C)=N)C(C)CN;YWSNASCSAFLMIJ-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388760;MM388760;CC(C)(C=CC=NN)CO;VREUCXZTCNITIJ-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388761;MM388761;C=CN(C(C)=N)C(C)CF;GHTCNKLAICKLAQ-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388762;MM388762;C=CCNN(C=NC)CC;BJXJMTVYNWBDKD-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388763;MM388763;C=CN(C(C)=O)C(C)CC;WGWNDTVCRIWREB-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388764;MM388764;CCN(C=NO)NCC#N;IUJHTEPEQPZZKY-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388765;MM388765;C=CN(C(C)=O)C(C)CN;BOWZVPPTCXIKMQ-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388766;MM388766;C#CCCC(C=CC)CC;HJSZVXBNIPSKJG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388767;MM388767;C=CN(C(C)=O)C(C)CF;VFDLHFVEVGFCGJ-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388768;MM388768;C#CCCC(C=NN)CF;MKNSUCWPZOEUGC-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388769;MM388769;CCC(C)N(C=N)C(C)=O;QVCGXUCRMJJJLM-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388770;MM388770;C#CCCC(C=CC)NC;DIOWFINQXWWKJF-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388771;MM388771;CCC(C)N(C=O)C(C)=O;NIYBMWWIYAXATH-UHFFFAOYSA-N;143.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388772;MM388772;C#CCCC(C=CF)NC;ZXZKVHNEHIWROC-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388773;MM388773;C=CN(C(=N)N)C(C)CN;HSPHVWAFKUIMGN-UHFFFAOYSA-N;142.21;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388774;MM388774;C#CCCC(C=CC)OC;SLOIKUUTMPJDGC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388775;MM388775;C=CN(C(=N)N)N(C)CC;DYTBOBJVEIWGPQ-UHFFFAOYSA-N;142.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388776;MM388776;C#CCNC(C=CC)CC;FFLCEWPMHHUERS-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388777;MM388777;CNN=C(NN)C(C)=CF;MPNKARLNMMMKLI-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388778;MM388778;C#CCNC(C=CF)CN;ATYVSRRVFFFHAQ-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388779;MM388779;C=CC(C(=C)C)C(C)C=O;RQSPTETXGGCZCC-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388780;MM388780;C#CCOC(C=CC)CN;YFOILFJYTXSNOF-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388781;MM388781;C=C(C)C(C#N)C(C)C=O;XBNCPWLFXCXMCD-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388782;MM388782;C#CCOC(C=CF)CN;UKRLGFKDKOALSP-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388783;MM388783;C=CC1=CC(C)(O)C(C)=C1;VSWFYYYMKADZTJ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388784;MM388784;C=CC(C(C)=O)C(C)C=O;VBURLLYFXZAVIH-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388785;MM388785;C#CCCN(C=NO)OC;OURPTENQLPEQKA-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388786;MM388786;CC(=O)C(C=O)C(C)C=O;GAHOZKUGMMWAIQ-UHFFFAOYSA-N;142.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388787;MM388787;C=CC(C=CC)CCCC;YTDCKLAZYJNALS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388788;MM388788;C=CC(C)C(C=C)C(=N)N;IGONIMVXEJAJBZ-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388789;MM388789;C=CC(C=CC)CCCN;ZDWIHHRETWLUMO-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388790;MM388790;C=CC(C(=N)N)C(C)C=O;DVRNQPOWKNGRQT-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388791;MM388791;C=CC(C=CC)CCCF;APZPIYRHQMVRAX-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388792;MM388792;C=CC(C(=C)F)C(C)C=O;VNJOCBDZIGVOKE-UHFFFAOYSA-N;142.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388793;MM388793;C=CC(C=CF)CCCN;SCWJLZGEQMDLFN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388794;MM388794;C=C(F)C(C=O)C(C)C=O;CMAUXXKVSZMHLX-UHFFFAOYSA-N;144.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388795;MM388795;CC(C)C=CC(O)C(C)C;BDEWQLXPXANDJE-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388796;MM388796;C=CC(N)C(C=C)C(=C)C;VVSVLRKNBXFMCR-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388797;MM388797;C=CC(C=CF)CCCF;HOHYRSQIHFBVKB-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388798;MM388798;C=CC(N)C(C=C)C(=N)N;LXOZYMGHTSMEAW-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388799;MM388799;C=NOC(=NN)NC=CF;XVRPMSWQUGEBQS-UHFFFAOYSA-N;146.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388800;MM388800;CC=CC(C=O)CCCC;CSBWWFBFFNRKNE-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388801;MM388801;C=CC(O)C(C)CC(C)C;FXJVPASQLGPYCY-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388802;MM388802;C=CC(C(=C)C)C(O)C#N;WNBNECTYAGARJV-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388803;MM388803;C=CC(O)C(C#N)C(=C)C;QDEDUCWNJHVGQB-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388804;MM388804;CC=CC(C=O)CCCF;JFVIUCUUAGBWIJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388805;MM388805;CC(=O)C(C=O)C(O)C=O;VZDLVJUQGFWTBW-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388806;MM388806;C=CC(C=CC)CCNC;HNGIQJBTGVEXHZ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388807;MM388807;CC(=O)C(C#N)C(O)C=O;KGTFBOVLFJKQNK-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388808;MM388808;C=CC(C=CF)CCNC;HFPJBBGJFORDRO-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388809;MM388809;CC(=O)C(C=O)C(O)C#N;BXYALFOMGJKDSJ-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388810;MM388810;CC=CC(C=O)CCNC;UOIJXWCJPOGFRX-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388811;MM388811;CC(=O)C(C#N)C(O)C#N;DQIJTVOTADEIFL-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388812;MM388812;CC=CC(C#N)CCNC;BXEORUMMGCXDCO-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388813;MM388813;C=CC(C=CC)CCOC;GKOVLWBJHYVPII-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388814;MM388814;C=CC(O)C(C=C)C(=N)N;FAGWRFZFPBKPDS-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388815;MM388815;C=CC(C(=N)N)C(O)C=O;RUMNQHCDVIRRHO-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388816;MM388816;CC=CC(C=O)CCOC;ZTLNLXWSDBBJDK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388817;MM388817;N#CC(C(=N)N)C(O)C=O;GWLBKAIAFBLAKR-UHFFFAOYSA-N;141.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388818;MM388818;COCCC(C=O)C=CF;AQJKQSYRYNBYTR-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388819;MM388819;C=CC(O)C(C=C)C(N)=O;OEVQIEXORSOAIQ-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388820;MM388820;CC12CC(C#N)(CC1=O)N2;OBPXSRGFPFCXJM-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388821;MM388821;C=CC(C(N)=O)C(O)C=O;LCAHLVPXQMTQRS-UHFFFAOYSA-N;143.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388822;MM388822;C=CC(C=NN)CCCF;JROJHPAOTKOCSS-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388823;MM388823;C=Cc1onc(F)c1O;GUXCQLOIRUTSOI-UHFFFAOYSA-N;129.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388824;MM388824;C=CC(C=CC)CNCC;GAZNTJDNLGBUKG-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388825;MM388825;C=CC(O)C(C=O)C(=C)F;RXBDHHYEVOADHA-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388826;MM388826;C=CC(C=CF)CNCC;GQEQSPWZLIDZPG-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388827;MM388827;C=C(F)C(C#N)C(O)C#N;RGCUZAGGOVVGBY-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388828;MM388828;CC=CC(C=O)CNCC;AXYSLPFIHWPGNP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388829;MM388829;C=CC(C(=C)C)C(F)C=O;HYTBGNDNCCIOSM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388830;MM388830;C=CC(C=NO)CNCC;NAGWAAPMQAVUJK-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388831;MM388831;C=CC(C(=C)C)C(F)C#N;DIRXFDSSGSORTK-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388832;MM388832;C=CC(C=CF)COCC;JZOPBTGYYRNJLP-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388833;MM388833;C=CC(F)C(C=O)C(=C)C;OHGFVPWDAWLBCG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388834;MM388834;CCOCC(C=O)C=CF;VFCHSZGWFHKBKE-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388835;MM388835;C=C(C)C(C=O)C(F)C#N;KMADSBDMHYFTSJ-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388836;MM388836;C=CC(C=CC)NCCC;XUHISEDTKQXICF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388837;MM388837;C=CC(F)C(C=C)C(C)=O;GUSRKHLAXWJPCO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388838;MM388838;C=CC(C=CC)NCCN;ZMONIRUBDXGCDU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388839;MM388839;C=CC(F)C(C=O)C(C)=O;LLHSCTJUXAFPSS-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388840;MM388840;C=CC(C=CC)NCCO;BOUANJALRHORBD-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388841;MM388841;N#CC(F)C(C#N)C(=N)N;OBXJZBCJTHVOIW-UHFFFAOYSA-N;140.12;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388842;MM388842;CC=CC(C#N)NCCF;JFIOHCLTVRXJKF-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388843;MM388843;C=CC(C(=C)C)N(C)C=N;CDJYMUUVDHLXSO-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388844;MM388844;C=CC(C=NN)NCCF;QFQHHYLQXCTBBP-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388845;MM388845;C=CC(C(=C)C)N(C)C=O;LWKNXRRCWKOHGQ-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388846;MM388846;C=CC(C=CC)OCCC;RNANPUASICMIBE-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388847;MM388847;CN(C=O)C(C=O)C(=N)N;LMFNOUUSUBQQGI-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388848;MM388848;C=CC(C=CF)OCCN;CCIBJPNOGJPMDW-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388849;MM388849;CN(C=N)C(C=O)C(N)=O;UBERJDPUYORQHZ-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388850;MM388850;CC=CC(C#N)OCCC;KATNRRDIPPJCSG-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388851;MM388851;C=C(F)C(C#N)N(C)C=O;QFLNWNYIYWVNJA-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388852;MM388852;O=CC(C=CF)OCCF;BWNPBDBVLONEEY-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388853;MM388853;CN=CN(C=N)C=NNC;KALJPMMXSONAOS-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388854;MM388854;C=CC(C=CC)OCOC;DIUMYDVTZKFIMM-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388855;MM388855;CNN=C(NCCF)OC;GEVXSYQENNVOBM-UHFFFAOYSA-N;149.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388856;MM388856;CCc1noc(C#N)c1O;VVQWTBIHLBONRM-UHFFFAOYSA-N;138.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388857;MM388857;Oc1nn(O)c(F)c1O;JIUXJHQUCSHRTO-UHFFFAOYSA-N;134.07;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388858;MM388858;CC=CN(C=N)CCCF;QUMJGZVVTWGNDE-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388859;MM388859;CC=COC(C#N)=NNC;LTSWRKAWZMTNAT-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388860;MM388860;CC=CN(C=O)CCCC;HQVPXJMQSHYYAD-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388861;MM388861;C=NN(C)C(C#N)C(=C)F;MLKRNRKTSVTUAC-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388862;MM388862;CC=CN(C=O)CCCO;RIGRGZXZMPJPDL-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388863;MM388863;C=CC(C)N(C=O)C(=C)C;BFOIJEZKMMFHQK-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388864;MM388864;COCCN(C=O)C=CF;PKSDINLYEQFPDL-UHFFFAOYSA-N;147.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388865;MM388865;C=CC(C)N(C=C)C(C)=O;ABFVCEKDRFKXTA-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388866;MM388866;C=CN(C=NC)CCCC;CAGWIJJPYWEXFB-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388867;MM388867;CC(=O)N(C=N)C(C)C#N;OJJGREGXRBJPMQ-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388868;MM388868;C=CN(C=NC)CCCF;ANPNOGWBTKJEDP-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388869;MM388869;C=CN(C(N)=O)C(C)C=O;XDBCJISELAERDY-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388870;MM388870;CN=CN(C=N)CCOC;CZVPYDPMHGOCQC-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388871;MM388871;CNN=CC(=NN)N(C)N;QMEOBGBASLMKNU-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388872;MM388872;COCCN(C=O)C=NO;OIKWZXNOOLWRCA-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388873;MM388873;Cn1c(=O)oc(=NN)n1N;NSMCZQQPWKDWMW-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388874;MM388874;C=COC=NNCC(F)F;ZNDAZLUXTQLCAI-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388875;MM388875;N=c1oc(=NN)n(N)n1N;HMJGVJTYXJTNIB-UHFFFAOYSA-N;145.13;-3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388876;MM388876;C=NN(C=NC)CCOC;ZYERUEYHWZGIOG-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388877;MM388877;NN=c1oc(=O)n(N)n1N;DNGPEHKYZRSWNT-UHFFFAOYSA-N;146.11;-3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388878;MM388878;CC=NN(C=N)CCCC;HBZXXALIOSIDSX-UHFFFAOYSA-N;141.22;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388879;MM388879;Cn1c(F)c(N)oc1=NN;ZULYREPVEOWJHW-UHFFFAOYSA-N;146.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388880;MM388880;CC=CCCC1CC1(C)O;GGAIHNJIJGOHPV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388881;MM388881;CC(=N)N(C=N)N(C)C=N;ZVZBTAKLZGCKTK-UHFFFAOYSA-N;141.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388882;MM388882;CC=NN(C=O)CCNC;KBIRTZGZIXHLGF-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388883;MM388883;CC(=N)N(C=O)N(C)C=N;BFRJCAXQNNCPKS-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388884;MM388884;CC=NN(C=O)CCOC;DHLMESRYVOMKCU-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388885;MM388885;CC(=N)N(C=O)N(C)C=O;NANZLYSAZSFSKP-UHFFFAOYSA-N;143.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388886;MM388886;CCCNN(C=O)C=CF;UKQNWUFGKNPMIC-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388887;MM388887;CC(=O)N(C=N)N(C)C=N;FKGKOIHKOAQJRT-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388888;MM388888;CC=CN(C=N)OCCC;PMROJRZNGNBWKQ-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388889;MM388889;CC(=O)N(C=N)N(C)C=O;RXWWCDBOUCZPSN-UHFFFAOYSA-N;143.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388890;MM388890;CC=CN(C=O)OCCC;YJMKLONBDUOXAE-UHFFFAOYSA-N;143.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388891;MM388891;CC(=O)N(C=O)N(C)C=O;QODSFCGWXRJIEY-UHFFFAOYSA-N;144.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388892;MM388892;O=CN(C=CF)OCCO;VEQNXDSXLKLGAK-UHFFFAOYSA-N;149.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388893;MM388893;CN(C=N)N(C=N)C(=N)N;WSNXYGQUOSTNDL-UHFFFAOYSA-N;142.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388894;MM388894;CN=CN(C=O)OCOC;WKLQMWYHVJDDFN-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388895;MM388895;CN(C=O)N(C=N)C(=N)N;HGFJMXCHNMXRSB-UHFFFAOYSA-N;143.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388896;MM388896;COCON(C=O)C=NN;OTIAVBXPKSRWET-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388897;MM388897;CN(C=N)N(C=O)C(=N)N;BYVBCSCMOZBOMW-UHFFFAOYSA-N;143.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388898;MM388898;C=CCCC(C=O)C=CC;XJDIOKGXERMMKU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388899;MM388899;NN=c1oc(N)c(N)n1N;GGUVCGPOHCRCHU-UHFFFAOYSA-N;144.14;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388900;MM388900;C=CCCC(C=O)C=CF;HTUDABWSPAAHDZ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388901;MM388901;CN(C=O)N(C=O)C(N)=O;QBPGWBKAFGEXKQ-UHFFFAOYSA-N;145.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388902;MM388902;N#CCCC(C#N)C=CF;GOZOPMPGGYSEJG-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388903;MM388903;C#CC(C)C(C=C)C(C)=O;NHHZXKSZHJJNGD-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388904;MM388904;O=CCCC(C=O)C=NO;GGFNKSNHVGLLDW-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388905;MM388905;C#CC(C)C(C=O)C(C)=O;OXFKOHBAHHNMAW-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388906;MM388906;C=CC(C=CC)CNC=N;HTSMJHGORNFHOS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388907;MM388907;C#CC(C)C(C=O)C(=N)N;CUESXMAWYVWRSS-UHFFFAOYSA-N;138.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388908;MM388908;C=C(C)C(O)CC=CCC;UCTCWSZBFKDVCK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388909;MM388909;C#CC(C)C(C=C)C(N)=O;YEQRIKOOXYEIEQ-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388910;MM388910;C=CC(C=CF)CNC=N;SPKFOEXYDCFZSJ-UHFFFAOYSA-N;142.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388911;MM388911;C#CC(C)C(C=O)C(N)=O;ZKHKVALHMJFYTK-UHFFFAOYSA-N;139.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388912;MM388912;CC=CC(C=O)CN=CN;ZBNMKAGUGSWLCC-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388913;MM388913;C#CC(C)C(C=O)C(=C)F;HXLPMNOADIHNME-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388914;MM388914;C=CC(C=CC)CNN=C;OPVDAFZVSJZFQP-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388915;MM388915;C#CC(N)C(C=C)C(=C)C;OBLORHAMRMUPTA-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388916;MM388916;C=CC(C=CF)CNN=C;KWTYFRUCIILOMJ-UHFFFAOYSA-N;142.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388917;MM388917;C#CC(O)C(C=C)C(=C)C;LRMJXABXHQQCDZ-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388918;MM388918;C=CC(C=NO)CNC=N;XLZXBBYBXIOYCC-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388919;MM388919;C#CC(O)C(C=O)C(C)=O;HWFZANJUZOWJMU-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388920;MM388920;C=COCC(C=O)C=CC;FLTPAAISKAXXMX-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388921;MM388921;C#CC(O)C(C#N)C(=N)N;ROFXSLMLVCCFNM-UHFFFAOYSA-N;137.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388922;MM388922;C=COCC(C#N)C=CC;RNWLECDXBSXTSR-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388923;MM388923;NC(C=O)=NN=CC(=O)O;NCEPDFWNTMKWND-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388924;MM388924;CC=CC(C=O)COC=O;LPFXQSXYCNYMEI-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388925;MM388925;C#CC(O)C(C#N)C(=C)F;CIGSWSCBKAGTTQ-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388926;MM388926;CC=CC(C#N)COC=O;HFWLLMNIWBTFJO-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388927;MM388927;C#CC(F)C(C=O)C(=C)C;DXLBIIFOLHBSER-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388928;MM388928;C=CCNC(C=C)C=CC;IFYQPBLPBPPSOI-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388929;MM388929;C#CC(F)C(C=C)C(C)=O;LZUIOWDTEZACTL-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388930;MM388930;C=CC(C=CC)NCC#N;GVVQIGLMIFDNEI-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388931;MM388931;C#CC(C)N(C=N)C(=N)N;ZJCGYGVPAPQXJW-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388932;MM388932;C=CC(C=CF)NCC#N;CYVBESWFPSHZOI-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388933;MM388933;NN=c1oc(=O)cnn1N;BNZBJDROUCNRTJ-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388934;MM388934;CC=CC(C#N)NCC#N;JHIIVNCUFNLENP-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388935;MM388935;C#CC(C)N(C=O)C(N)=O;PZWGZDRWRDIIDF-UHFFFAOYSA-N;140.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388936;MM388936;C=C(C)C(O)CC=CCF;UODLHOOWGARXFZ-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388937;MM388937;C#CC(C(=C)C)C(C)CN;WFFMGOVIBCRSFG-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388938;MM388938;CC(F)C(CF)=NO;CLQDQMDSQPJUMZ-UHFFFAOYSA-N;123.1;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388939;MM388939;C#CC(C(C)=O)C(C)CC;ZIKQZIJUYOPDJE-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388940;MM388940;O=CC1(C=O)NC1C(=O)O;RKMPXFRRBUZEAJ-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388941;MM388941;C#CC(C(=N)N)C(C)CF;FMWXDKIIWOVNCM-UHFFFAOYSA-N;142.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388942;MM388942;CC=CC(C=O)OCC=O;WJTTZOGCYMCCCB-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388943;MM388943;C#CC(C(N)=O)C(C)CF;OLXRKKYHSRBBSN-UHFFFAOYSA-N;143.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388944;MM388944;NN=C(CF)C(F)C(=O)O;VISWUWQGMOSPSB-UHFFFAOYSA-N;152.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388945;MM388945;C#CC(C(=C)F)C(C)CN;BHYSUCGCALFBFY-UHFFFAOYSA-N;141.19;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388946;MM388946;N=Cn1[nH]cc(F)c1=O;TYPINFUOWIKUBU-UHFFFAOYSA-N;129.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388947;MM388947;C#CC(C(=C)F)C(C)CF;SPYQETZAGJRHLB-UHFFFAOYSA-N;144.16;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388948;MM388948;C=Nn1nc(O)n(N)c1=O;RNQJZEAWXFZIRZ-UHFFFAOYSA-N;143.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388949;MM388949;C#CC(C(=C)C)C(N)CC;BLNSFWFPFUCSHS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388950;MM388950;C=CCCN(C=N)C=CC;ODWKVJQZRBOAAQ-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388951;MM388951;C#CC(C(=C)C)C(N)CN;ABKIKSQVBFLMJN-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388952;MM388952;CC=CN(C=N)CCC#N;WTPMQLQBIMPFEW-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388953;MM388953;C#CC(C(=C)F)C(N)CC;JOYGRSAOHBRLDX-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388954;MM388954;N=CN(C=CF)CCC=O;CSQOQPTVNPLMRZ-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388955;MM388955;C#CC(C(=C)F)C(N)CN;LEVKNEGMEQRZND-UHFFFAOYSA-N;142.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388956;MM388956;CC1C=C(CC#N)CC1O;LCUCPFOJSHIVQR-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388957;MM388957;CN=CN(C=N)CCC#N;LSXCYNMMOMJUMR-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388958;MM388958;C#CC(C(=C)F)C(N)CF;FZZICRIIOPQELR-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388959;MM388959;N#CCCN(C=O)C=NO;DWJGCDJEMVNYPC-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388960;MM388960;CCn1oc(=O)oc1=NN;MGSFAWDIPUNSQE-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388961;MM388961;C=NN(C=NC)CCC#N;IYBXHHNPFZUBCV-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388962;MM388962;C#CC(C(C)=O)C(O)CO;VNNOFTSYAYSBQE-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388963;MM388963;CC=Cc1cc(C)c(N)[nH]1;XKYZGUJWRZEGCZ-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388964;MM388964;C#CC(C(C)=O)C(O)CF;JHAQWQVPWZPUMI-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388965;MM388965;C=CC1=C(C)C(C)(O)C=C1;HVWXNUPMIXYIJP-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388966;MM388966;C#CC(C(=N)N)C(O)CF;CREGNCHJKCBJEM-UHFFFAOYSA-N;144.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388967;MM388967;C=CN(C=NO)NCC#N;HESWRAIMYLSQKR-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388968;MM388968;C#CC(C(=C)C)C(F)CC;YQBPJLAHTVMHKN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388969;MM388969;N#CCNN(C=O)C=NO;SIVWRRSUQYTTOX-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388970;MM388970;C#CC(C(=C)C)C(F)CN;ZWGXNFKQLKCAPY-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388971;MM388971;O=CCON(C=O)C=CF;XAOYWVHHIHYJGV-UHFFFAOYSA-N;147.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388972;MM388972;C#CC(C(=C)C)C(F)CF;FOTIZWNLQCFGRX-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388973;MM388973;N#CCON(C=O)C=CF;KBHUSADROFNLQQ-UHFFFAOYSA-N;144.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388974;MM388974;C#CC(C(C)=O)C(F)CC;JXKIJVDRLNDGDB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388975;MM388975;C=CC1=CC(O)(CC)C=C1;VIJVNMYPRCQZMJ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388976;MM388976;C#CC(C(C)=O)C(F)CO;MVEISFWMCCUGOS-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388977;MM388977;C=CCON(C=O)C=NC;MXJWTDLUQJSBRG-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388978;MM388978;C#CC(C(=N)N)C(F)CO;NOLUUYWSJQRWBL-UHFFFAOYSA-N;144.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388979;MM388979;N#CCON(C=O)C=NO;LRONCRLSQDXPLI-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388980;MM388980;C#CC(C(N)=O)C(F)CO;NKASCXKYNURLAA-UHFFFAOYSA-N;145.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388981;MM388981;C#CCCC(C=C)C=CC;NQFKTNSSZJNSNG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388982;MM388982;C#CC(C(C)=O)C(C)OC;CWAIDEPBTQMUJH-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388983;MM388983;C#CCCC(C=O)C=CC;DCULOCHCTYGEHA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388984;MM388984;C#CC(C(N)=O)C(C)OC;FDVLRZUUHMZABG-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388985;MM388985;C#CCCC(C=O)C=CF;RIEWDDFPMAZDCK-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388986;MM388986;C#CC(C(=C)C)N(C)CC;QSSKNSSVMPDMHQ-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388987;MM388987;C#CCCC(C=C)C=NN;LVNWIVRCEQYGNC-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388988;MM388988;C#CC(C(=C)C)C(C)C=C;DWGRTPYXJKTQJB-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388989;MM388989;C#CC1(C=C)CC(O)C1C;KFZNGQMDJVVLSJ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388990;MM388990;C#CC(C(=C)C)C(C)C=O;DOFWKNKVPKZXLM-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388991;MM388991;C#CCOC(C=O)C=CC;DILWQAJSDRIQPI-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388992;MM388992;C#CC(C(C)=O)C(C)C=O;PMOXFOZYKDEULG-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388993;MM388993;C#CCOC(C=O)C=CF;JRMCBBURAJDTJF-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388994;MM388994;C#CC(C(=N)N)C(C)C=C;JSCZUWGSWILWOW-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388995;MM388995;NC(=NCC=O)C(=O)O;PXGFWEKYMSHFNW-UHFFFAOYSA-N;130.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388996;MM388996;C#CC(C(=C)F)C(C)C=C;ZBKJYUQLRABQBQ-UHFFFAOYSA-N;138.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388997;MM388997;C#CCCN(C=O)C=NC;BJKOFPKDABMRFY-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388998;MM388998;C#CC(C(=C)F)C(C)C=O;QJEDGQINLMKYBH-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM388999;MM388999;C#CCNN(C=O)C=NC;BVOOXTZMLCGSAH-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389000;MM389000;C#CC(C(=C)C)C(N)C=C;OQGOOVHHPYEUIN-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389001;MM389001;C#CC(C(C)=O)C(O)C=O;RQHJREFRVLHEAR-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389002;MM389002;C#CCON(C=N)C=CC;FZKZJZXXYUHKQI-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389003;MM389003;NN=CON=CC(=O)O;GXUMFUFCTFMXNW-UHFFFAOYSA-N;131.09;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389004;MM389004;C#CCON(C=O)C=CC;XSRSQKRRJRNUQV-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389005;MM389005;C#CC(C(=C)F)C(O)C=C;JRXHPPQOOYUYSY-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389006;MM389006;C#CC(C=CC)CCCC;XAHLSTKKGDFTIH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389007;MM389007;C#CC(C(=C)C)C(F)C#N;ZMSFXBFXZAESGX-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389008;MM389008;C#CC(C=CC)CCCN;PEORPKYEEVBGBQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389009;MM389009;C#CC(C(=N)N)C(F)C#N;NMTOJIODVGKISI-UHFFFAOYSA-N;139.13;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389010;MM389010;C#CC(C=CC)CCCF;GAHTYDDZFFZUCD-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389011;MM389011;N=CN=C(N)C(=O)O;RHIOFBMYIDVAGT-UHFFFAOYSA-N;115.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389012;MM389012;C#CC(C=CF)CCCN;IHRHJEBTNOBTOD-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389013;MM389013;C#CC(C(=N)N)N(N)C=O;ZKDMFMNAPNPBNM-UHFFFAOYSA-N;140.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389014;MM389014;C#CC(C=CC)CCNC;IQWDVQCYINCKPQ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389015;MM389015;C=C(OCC=NO)C(=O)O;QFEHXMIXJQKEHJ-UHFFFAOYSA-N;145.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389016;MM389016;C#CC(C=CC)CCOC;ZPMFSWIXWBANBZ-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389017;MM389017;C=Cn1oc(=O)oc1=NN;DWPYFASFSPWFQO-UHFFFAOYSA-N;143.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389018;MM389018;C#CC(C=CC)CNCC;OUCLLLBTAQIXTB-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389019;MM389019;C#CC(C(=N)N)N(C)N=C;MNAUAPRESXFOMA-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389020;MM389020;C#CC(C=CF)CNCC;ZREHSNYIRQNMSA-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389021;MM389021;N=Cn1oc(=O)oc1=NN;RUXUKEIHEYCRGK-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389022;MM389022;C#CC(C=CC)COCC;ZVKGVTJZWZKKCY-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389023;MM389023;C#CC(C)C(C#C)C(=C)C;UIPDSLDHAAGFMD-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389024;MM389024;C#CC(C=CC)NCCN;RCUGRQYEBNBZKA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389025;MM389025;C#CC(C)C(C#C)C(C)=O;NHWLJTLIJCNJHC-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389026;MM389026;C#CC(C=CF)NCCN;CABIEGUNUVWQQE-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389027;MM389027;C#CC(N)C(C#C)C(=C)C;ZNBWJDKFOQOYBF-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389028;MM389028;C#CC(C=CC)OCCO;VWZDXKASZGGFIM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389029;MM389029;C#CC(O)C(C#C)C(=C)C;RWLXQBUYVMCCBB-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389030;MM389030;N#CC1(C=O)CC(C=O)N1;QYNWLLVCXQJBDU-UHFFFAOYSA-N;138.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389031;MM389031;C=C(CF)C(CN)C(C)C;ORQQAIABUMUJTB-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389032;MM389032;C#CC(C=NN)OCOC;ZJERYZBPTZDOGA-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389033;MM389033;C=C(CN)C(CO)C(C)C;WARUCQGWSYAXIS-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389034;MM389034;C#CC(C=CC)CCC=O;CYOGBCGGKCOSPP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389035;MM389035;C=C(CN)C(CF)C(C)C;ZZZJWDPTWIWKRP-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389036;MM389036;C#CC(C=NN)CCC=C;DATXLEFABSEEPT-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389037;MM389037;C=C(CO)C(CF)C(C)C;DIICRQXQSJBFPW-UHFFFAOYSA-N;146.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389038;MM389038;CCC1(CC)NC1C(C)=O;NZGRHCOZKSILBS-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389039;MM389039;C=C(CC)C(CN)C(C)F;VGVXYRHDZFBGLL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389040;MM389040;C#CC(C=CC)COC=C;GQTAKWYXEHKUGN-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389041;MM389041;C=C(CN)C(CN)C(C)F;KXFWDFVPEJROFN-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389042;MM389042;C#CC(C=CF)COC=O;HJPZZLRJCSOZPT-UHFFFAOYSA-N;142.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389043;MM389043;C=C(CF)C(CN)C(C)F;IXPQOPVMBQYPBZ-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389044;MM389044;C#CC(C=CC)NCC#N;UAINVVXTUDTVOL-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389045;MM389045;C#CC(C=CC)OCC=C;WXRZVIUEEUBGGO-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389046;MM389046;C=C(CC)C(CN)C(F)F;VJJXFRGTGIIYPE-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389047;MM389047;C#CC(C=CC)ONC=N;JMFNIYJIIXEHHO-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389048;MM389048;CC(C)C(CF)C(=O)CF;OIWBDEUNFFHXRX-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389049;MM389049;C#CC(C=CC)ONC=O;UXFQWQKMWUZLSV-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389050;MM389050;CC(O)C(CF)C(=O)CF;RXMMWVJNLNPPPI-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389051;MM389051;CC=CCC(C=CC)CC;DJQWAEDESFJOFZ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389052;MM389052;O=C(CO)C(CO)C(F)F;ZKRSJZAUCKUCAM-UHFFFAOYSA-N;154.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389053;MM389053;CC=CC(CC)CC=CF;KOFARPRSZAEZSX-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389054;MM389054;CCC(C(=N)NC)C(C)C;HTASNXXJGVIZBS-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389055;MM389055;CC=CC(CN)CC=CF;YTKSWRDOVJRCRY-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389056;MM389056;CCC(C(=N)NN)C(C)C;ZOXNFVYKUPVSMP-UHFFFAOYSA-N;143.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389057;MM389057;CC=CCC(C=CF)CN;GTHWFVGTFYIIGI-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389058;MM389058;CCC(C(=N)NO)C(C)C;MRJQPCUTDDACMU-UHFFFAOYSA-N;144.22;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389059;MM389059;NCC(C=CF)CC=CF;KNFVVGRGRAFLST-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389060;MM389060;CNC(=N)C(CO)C(C)N;XWCUKJHCUWMNJI-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389061;MM389061;CC=CC(CF)CC=CF;IYYCJYJSFUFCGA-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389062;MM389062;CCC(C(=N)NN)C(C)F;XHYBICQPYKBALR-UHFFFAOYSA-N;147.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389063;MM389063;CC=CC(CC)CC=NN;GEZWXLOBEDKQHF-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389064;MM389064;CNC(=N)C(CO)C(C)F;RPCVQWXROLONPD-UHFFFAOYSA-N;148.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389065;MM389065;CC=CC(CC)CC=NO;RMWWZIRZECBJCI-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389066;MM389066;N=C(NN)C(CO)C(F)F;CLJJSUVGDNJPCC-UHFFFAOYSA-N;153.13;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389067;MM389067;CC=CCC(C=NN)CF;YBKXTOYVJMHHRG-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389068;MM389068;C#CC1=CC2C(C1)C2(C)O;GZVDUDHHSQRSFX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389069;MM389069;NN=CCC(C=NN)CF;IIOQPVKHXZEDGQ-UHFFFAOYSA-N;146.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389070;MM389070;CCC(C(=O)NO)C(C)C;XLNCFBDCHBUESQ-UHFFFAOYSA-N;145.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389071;MM389071;CC=CC(CC=CF)NC;HMIQLCCWHWGWPG-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389072;MM389072;CNC(=O)C(CF)C(C)C;PARZLPBAAJZBRS-UHFFFAOYSA-N;147.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389073;MM389073;CC=CCC(C=CF)NC;QWNSBVXIPIOZRF-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C2";;;;;;;2.83;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389074;MM389074;CNC(=O)C(CO)C(C)N;OHQGARHMHHFBJI-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389075;MM389075;CNC(C=CF)CC=CF;FCRRYQJJCNGYLR-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389076;MM389076;CNC(=O)C(CO)C(C)O;PGPNATVVJVPKSX-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389077;MM389077;CC=CC(CC=NN)NC;KCQFKOGOEGHDKY-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389078;MM389078;CCC(C(=O)NC)C(C)F;AKOBHPPVTYWNOO-UHFFFAOYSA-N;147.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389079;MM389079;CC=CC(CC=NO)NC;NGBACVVKDGCCAC-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389080;MM389080;COC(=O)C(CN)C(C)C;JBVMBWUPOYGGFD-UHFFFAOYSA-N;145.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389081;MM389081;CN=CNC(C=CF)CN;AZSFVHKAASTTFW-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389082;MM389082;COC(=O)C(CO)C(C)C;GPIVIPTZTRRTFH-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389083;MM389083;CC=CC(CO)N=CNC;QBAUHCXHKZKSGS-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389084;MM389084;CCC(C(=O)OC)C(C)O;KXKVYUMZPVUXIL-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389085;MM389085;CC=CC(CF)NC=NC;FKHHHMZGBHAEBM-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389086;MM389086;COC(=O)C(CO)C(C)O;JPTYZKCCCNNAEH-UHFFFAOYSA-N;148.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389087;MM389087;C#CC1(C=O)NC1C(C)=O;LBMSUSFZRXAMGG-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389088;MM389088;C=C(CC)C(NC)C(C)C;OXHGHAWCNJJHPA-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389089;MM389089;CC=CC(CC)NN=CC;LOKIECIKULFMFM-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389090;MM389090;C=C(CC)C(NC)C(C)F;CKCAWSINVIBINT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389091;MM389091;CC=NNC(C=CF)CC;SKZDOQZAKKQIBB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389092;MM389092;CNC(=N)C(NC)C(C)C;DLMUZCFJCUZHGN-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389093;MM389093;CC=CC(CN)NN=CC;RXCDLZPXECUMHB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389094;MM389094;CNC(=N)C(NC)C(C)F;OPTKKSDSNSNQKB-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389095;MM389095;CC=NNC(C=CF)CF;QHXXFAUZTLELHI-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389096;MM389096;COC(C(=O)CO)C(F)F;OGLQGZXUAYFVJB-UHFFFAOYSA-N;154.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389097;MM389097;CC=NNC(C=NO)CC;KNGWODWSEHSDOM-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389098;MM389098;CNC(=N)C(OC)C(C)N;AGVPJZVPLORFAJ-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389099;MM389099;CC=COC(C=CC)CC;MHIBJOUWFDGYPG-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389100;MM389100;COC(C(=N)NN)C(C)O;LWMNKJPXOOYNPX-UHFFFAOYSA-N;147.18;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389101;MM389101;OCC(C=CF)OC=NO;PANOAHOXCIJEFT-UHFFFAOYSA-N;149.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389102;MM389102;COC(C(=N)NN)C(C)F;WAGTYEWDSXBZKA-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389103;MM389103;C#CC(=O)CC1(C#N)CN1;JUASJJFHVQRZIP-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389104;MM389104;CNC(=O)C(OC)C(C)N;COTUCYDXYFGTQJ-UHFFFAOYSA-N;146.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389105;MM389105;CC(C)(CO)CCC1CC1;NJTXUBYQJHIYON-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389106;MM389106;CNC(=O)C(OC)C(C)O;LEOTWSUGRYDDPC-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389107;MM389107;CCC12CCC(CO)(C1)C2;UDFKJXFDTYIUFJ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389108;MM389108;CCc1nn(N)c(=NN)o1;OHZZFKOZRACEDG-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389109;MM389109;NN=CC(CF)OC=NO;JWIKSTJIAMOLIP-UHFFFAOYSA-N;149.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389110;MM389110;NN=c1oc(CF)nn1N;TXOOAWCDQLVOEI-UHFFFAOYSA-N;147.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389111;MM389111;CC(=N)N=C(NN)C(=O)O;WXTGLFGCJYMNRI-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389112;MM389112;COC(=O)C(OC)C(F)F;XNQGNYHJZULKAK-UHFFFAOYSA-N;154.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389113;MM389113;CC=NOC(C=CF)OC;DJPYEAPTJBMGLF-UHFFFAOYSA-N;147.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389114;MM389114;CCC(C(=N)NN)N(C)C;MPZFSLNSGYUGCD-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389115;MM389115;CN=CN(CC=CF)NC;ZWZHCHOLBAROBC-UHFFFAOYSA-N;145.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389116;MM389116;CCC(C(=N)NO)N(C)C;NPXIPTQBAGIQBW-UHFFFAOYSA-N;145.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389117;MM389117;OCC12CCC(CO)(C1)C2;ZTKFUOFPQSNWSN-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389118;MM389118;CCN(C(=N)NC)C(C)C;GMYQCTARZVNQGF-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389119;MM389119;CON(C=NO)CC=CF;IJEXRWNXDAXBPM-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389120;MM389120;CCN(C(=N)NN)C(C)C;AFAZAJAQBMACSX-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389121;MM389121;CC=NN(CC)CC=NN;HEALTCHHDYYQAL-UHFFFAOYSA-N;142.21;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389122;MM389122;CCN(C(=N)NO)C(C)C;PBPDONZBAVBKKF-UHFFFAOYSA-N;145.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389123;MM389123;CCN(C=NC)NC=NN;IJOWEAPHGPSZAO-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389124;MM389124;CCN(C(=N)OC)C(C)C;ZPJCNBPEUQLRSX-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389125;MM389125;CCN(C=NC)NC=NO;SUPWJFRNVZYOOF-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389126;MM389126;CCC(=N)N(NC)C(C)C;UDKZHVBLYRRLHM-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389127;MM389127;CCN(C=NO)OC=NN;NXNXZKSFYGMSED-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389128;MM389128;COc1nn(N)c(=NN)o1;FBHRTGKMVBAKOP-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389129;MM389129;C=CC(C=CC)CC=CC;DGEICPLDWVZFOU-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389130;MM389130;CON(C(=O)CO)C(C)C;KFGGFNJDHNDEQV-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389131;MM389131;C=CC(C=CF)CC=CF;BTBCHVCRWYRWRG-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389132;MM389132;C=Cc1nn(N)c(=NN)o1;IPSCKLOUNJXHFP-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389133;MM389133;CC=CC(C=O)CC=CF;RWUIRVLPODVMJL-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389134;MM389134;C=C(C=O)C(CF)C(C)C;CAGCPDKTRBGNJZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389135;MM389135;CC=CCC(C=O)C=CF;AIDMUDJRNRTOMF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389136;MM389136;C=CC(=C)C(CN)C(F)F;BDJSLPFDMKWCKL-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389137;MM389137;C=CC(C=CC)CC=NN;PXGBPGAGWFJLTP-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389138;MM389138;C=CC(=C)C(CF)C(F)F;PAZHAKXNYDRVEZ-UHFFFAOYSA-N;150.14;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389139;MM389139;C=CC(C=CF)CC=NN;FZGPKKDUYDLDRJ-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389140;MM389140;C=CC(=O)C(CF)C(C)C;KXAZFWHZBVJPMR-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389141;MM389141;CC=CC(C=O)CC=NO;AQHIBCDFOHYCPQ-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389142;MM389142;CC(C)C(CF)C(=O)C#N;UTQNALIHFRQSAP-UHFFFAOYSA-N;143.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389143;MM389143;CC=CC(C#N)CC=NO;OBLOSGIIIFUXNO-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389144;MM389144;C=CC(=O)C(CC)C(C)O;ICGICUSVJFSFBD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389145;MM389145;C=CC(C=NN)CC=NN;MNLGTKLBRBQUTE-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389146;MM389146;CC(O)C(CO)C(=O)C#N;KLILNACHGVTWPP-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389147;MM389147;C=CC(C=CC)NC=NC;VFLIZLQVSPAENM-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389148;MM389148;CC(O)C(CF)C(=O)C#N;JOVOYQILYSXDJQ-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389149;MM389149;C=CC(C=CF)NC=NC;HIIOHSXLRAWULX-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389150;MM389150;CC(F)C(CF)C(=O)C=O;OKAPQVJGHJUEPL-UHFFFAOYSA-N;150.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389151;MM389151;CN=CNC(C=O)C=CF;FKGUZDZBXDEIIB-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389152;MM389152;C=CC(=C)C(NC)C(C)C;APTAUDRBKMPVGM-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389153;MM389153;C=CC(C=NN)NC=NC;ICQYHWCTCWFVHN-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389154;MM389154;C=CC(=C)C(NC)C(C)N;QCTPDLKKOKOZHY-UHFFFAOYSA-N;140.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389155;MM389155;C=CC(C=NO)NC=NC;MGLVYEGXWFXMCW-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389156;MM389156;C=CC(=C)C(NC)C(C)O;YOUWMOGOGBARNS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389157;MM389157;C=CC(C=CC)NN=CC;HDGJUCSMQZDVCJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389158;MM389158;C=CC(=C)C(NC)C(C)F;JGJDSFPKVDUBOI-UHFFFAOYSA-N;143.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389159;MM389159;OCC12CCC(CF)(C1)C2;XRWHZHAVLZECLU-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389160;MM389160;C=CC(=O)C(NC)C(C)C;ZNCVAVLSTJZMGQ-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389161;MM389161;C=CC(=O)C(N)=NNCC;VSFAOFYXFQSONS-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389162;MM389162;C=C(C#N)C(OC)C(C)O;CESJSKQAHJTARE-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389163;MM389163;C=CC(C=NN)NN=CC;FVUVZHBIXYCZEK-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389164;MM389164;C=CC(=C)C(CN)N(C)C;HRDICKRQXLJBMI-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389165;MM389165;O=CC(C=CF)OC=CF;ADVOUUVXLQXCOZ-UHFFFAOYSA-N;148.11;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389166;MM389166;C#Cc1nn(N)c(=NN)o1;KSGDQWSMFULKAI-UHFFFAOYSA-N;139.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389167;MM389167;CC=CN(C=N)CC=CF;VSNVYXDCIOFGIQ-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389168;MM389168;C=C1C(=CC)C2CC1(O)C2;KMBZKGHTVYBPGX-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389169;MM389169;O=CN(C=CF)CC=CF;LVLNQZVAVIJUSB-UHFFFAOYSA-N;147.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389170;MM389170;CCN(C(=O)C#N)C(C)C;WJKLRQHENJCXCD-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389171;MM389171;CC=CN(C=N)CC=NN;FXBCNZQYGWRQOI-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389172;MM389172;C#CC(=C)C(CF)C(C)C;GJCBSABLXQQYEA-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389173;MM389173;CC=CN(C=N)CC=NO;GIMGDVDSVZNTOH-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389174;MM389174;C#CC(=C)C(CF)C(C)N;OKSSGNONXMBBTG-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389175;MM389175;C=CC#CC(C)C(O)CC;HXHQIZFFHSZTIN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389176;MM389176;C#CC(=C)C(CN)C(C)O;DOBKVGHIVVPJBO-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389177;MM389177;C#CC(F)CN=CNN=C;QXAXBTPWFUSUCU-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389178;MM389178;C#CC(=O)C(CC)C(C)C;HCABBCPZGYKISG-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389179;MM389179;C=NN(C=NO)CC=CF;WCRHKJQMTUBORG-UHFFFAOYSA-N;145.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389180;MM389180;C#CC(=O)C(CF)C(C)C;RVZYGOZBJYSINJ-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389181;MM389181;CC(C)C(CO)CCCF;QXUFKIHTWYMYHS-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389182;MM389182;C#CC(=O)C(CC)C(C)O;VTBYIORIZSJZJT-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389183;MM389183;C=NN(C=NO)CC=NN;LBHQXSDXIRJZHP-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389184;MM389184;C#CC(=O)C(CF)C(C)F;QJGQEUZQGMNZFP-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389185;MM389185;CC=NN(C=O)CC=NN;NZWNEQFOVUXPHR-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389186;MM389186;C#CC(=C)C(NC)C(C)C;FOHRVGSRQTXOEW-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389187;MM389187;CC=NN(C=O)CC=NO;IJRKSACQQKFEJF-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389188;MM389188;C#CC(=C)C(NC)C(C)N;WEKQHXGEOSVGRS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389189;MM389189;CC=CN(C=N)NC=NO;RCCBSKIEJXQFQU-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389190;MM389190;C#CC(=C)C(OC)C(C)N;LNQKQGFVENQURY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389191;MM389191;C=CN(C=NC)NC=NO;OGHLAFNUNAFBKL-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389192;MM389192;C#CC(=C)C(OC)C(C)O;WGYQNWXHIXNORR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389193;MM389193;C=C1C(O)CC(=CC)C1C;QJHKXBXOPBXVNF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389194;MM389194;C#CC(=O)C(OC)C(C)F;MANKOVSWIABBCA-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389195;MM389195;CNN=Cn1ncc(=O)o1;XBSPSUFKRGGODI-UHFFFAOYSA-N;142.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389196;MM389196;N=c1cnoc(=NN)n1N;SBTFDKJYJXBTDF-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389197;MM389197;CC=CN(C=O)OC=NO;CHJXIQALBCSAAK-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389198;MM389198;C=CC(C(=C)CN)C(C)C;WKRYUPVEVHYFAD-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389199;MM389199;C#CC#Cc1cc(N)c[nH]1;RYEOUPLTFQPZOC-UHFFFAOYSA-N;130.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389200;MM389200;C=CC(C(=C)CC)C(C)N;XTDOMUVBAQOMGV-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389201;MM389201;O=CN(C=CF)OC=NO;JNQBQELWOZAHGK-UHFFFAOYSA-N;148.09;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389202;MM389202;C=CC(C(=C)CF)C(C)N;RONHIFWXYAIKOK-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389203;MM389203;C#CC(C=CC)CC=CF;GUVTVRCGPXTOBB-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389204;MM389204;C=CC(C(=C)CO)C(C)O;AIZMDFOJTDIIQT-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389205;MM389205;C#CC(C=CF)CC=CF;PMHXKNQIFXFUEO-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389206;MM389206;C=C(CC)C(C=O)C(C)O;UZALDFZIHHGCAR-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389207;MM389207;C#CC(C=CC)CC=NN;OTQDGJXCYGGPRM-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389208;MM389208;C=CC(C(=C)CN)C(C)F;OFVSZXBFJJPDAB-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389209;MM389209;C#CC(C=CC)NC=NC;RUAFQKONUWCLPM-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389210;MM389210;C=C(CO)C(C#N)C(C)F;DYIHMBWMEDGYHL-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389211;MM389211;CC=NNC=C(C=O)C=O;JDRPFGSPQXBRLG-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389212;MM389212;C=CC(C(=C)CC)C(F)F;JQHUOXKTZDGYSH-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389213;MM389213;C#CC(C=NN)OC=CC;JSNUCKINYCLWPX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389214;MM389214;C=CC(C(=O)CC)C(C)C;WROARTPIJKTPAZ-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389215;MM389215;C#CC(C=NN)ON=CC;CFRSCYJANOEBOT-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389216;MM389216;C=CC(C(=O)CF)C(C)C;KYOXRBZZELXFRU-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389217;MM389217;C=CC(C=C)C(=O)C(=O)O;LWJHKUUYYLOYQT-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389218;MM389218;CC(O)C(C#N)C(=O)CO;VSPIKRVXMXOATC-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389219;MM389219;CC#CCC(C=CC)CC;WFYCMCAYXMEABF-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389220;MM389220;C=CC(C(=O)CF)C(C)F;MMYHWJZPABGSIM-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389221;MM389221;CC#CCC(C=CF)CN;DMUMQKBNBISNAJ-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389222;MM389222;C=CC(C(=N)NC)C(C)C;ZHAQBTAXNJPFPG-UHFFFAOYSA-N;140.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389223;MM389223;CC#CCC(C=NN)CF;VADJMYINFCYTJL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389224;MM389224;C=CC(C(=N)NN)C(C)O;HPSAHWHCIBLDTQ-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389225;MM389225;CC#CCC(C=CF)NC;AVDBIFDCXJLQQN-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389226;MM389226;CNC(=N)C(C#N)C(C)O;DLFXLFFNWQHBFL-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389227;MM389227;CCCC(C)C(CC)CO;DXXCMAAACWSRPE-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389228;MM389228;C=Cc1n[nH]c(CC)c1N;HWOXBHDHGOWCAQ-UHFFFAOYSA-N;137.19;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389229;MM389229;CC(C)C(C=O)C(=O)NO;ICAPXJFDGNGIAS-UHFFFAOYSA-N;145.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389230;MM389230;CC#CCN(C=NO)OC;GLCVJSUKLFISDD-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389231;MM389231;CC#CCN(CC)N=CC;JRTRTTUFWNYJAE-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389232;MM389232;CNC(=O)C(C#N)C(C)O;YUWQUQCEOICHHJ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389233;MM389233;C#CCC(O)C(C#C)C=C;ZINHHLDCWKMMQN-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389234;MM389234;CNC(=O)C(C=O)C(F)F;NOCKOILKRYYYJL-UHFFFAOYSA-N;151.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389235;MM389235;CC#CCN(C=O)C=NC;FIHLGTIYZYYLPF-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389236;MM389236;C=C(OC)C(C#N)C(F)F;QWCOYVRDWLLSHV-UHFFFAOYSA-N;147.12;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389237;MM389237;CC1CCC2(CO)CC2C1;PRLHRAQDIHTPND-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389238;MM389238;COC(=O)C(C=O)C(C)C;SZCKPZUQOAXPGF-UHFFFAOYSA-N;144.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389239;MM389239;CCC1CC2(CO)CC1C2;VVVNDCPVNKGKGP-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389240;MM389240;C=CC(C(=C)CN)N(C)C;CADOGNYGJDZSCA-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389241;MM389241;C=NN(C=NO)CC#CC;KPQJIXAPAYQDAN-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389242;MM389242;CC=NNC=NNCCC;XVRKSTRTYPWFLR-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389243;MM389243;CC#CCN(C=N)N=CC;UMRJJVUWAYKRIY-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389244;MM389244;CNC(=N)C(C#N)N(C)C;LKLTYHQCYBEMPT-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389245;MM389245;C#CC(C=CC)CC#CC;FRKDWUUEJBGWFI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389246;MM389246;CC=NN=CNOCCF;BTHOBYWTZPWNKQ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389247;MM389247;CC#CC(CC)CCCC;WJHYVKDDOZBUIV-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389248;MM389248;C=C(CO)N(C=N)C(C)C;NBIFHALKLGPDCJ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389249;MM389249;CC#CC(CC)CCCN;HCXKUDUSNHOEMX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389250;MM389250;C=CN(C(=N)CN)C(C)C;BFNIIDQNEQCKRA-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389251;MM389251;CC#CC(CN)CCCC;JNODTRZFYOMDCJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389252;MM389252;CCC(=N)N(C=O)C(C)C;DJVLRXXVUXIFHU-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389253;MM389253;CC#CC(CF)CCCN;CKLRVIKOQHKJPV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389254;MM389254;CC(C)N(C=O)C(=O)CO;YZIGBZSMRZHGCW-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389255;MM389255;CC#CC(CC)CCNC;UYIXJOPSFOAHHC-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389256;MM389256;C=C(OC)N(C=N)C(C)C;UFOORQACELLHQV-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389257;MM389257;CC#CC(CO)CCNC;BAUBFZKRCUBXAR-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389258;MM389258;COC(=O)N(C=O)C(C)C;XAZHNUPIKJKYRG-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389259;MM389259;CC#CC(CF)CCNC;OYZNNWSIVKDILY-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389260;MM389260;C=NN(C(=N)NC)C(C)C;LDWZDXYBIJPCDL-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389261;MM389261;CC#CC(CC)CCOC;ZTUJWZQYHSGRTH-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389262;MM389262;C=C(CC)N(C=N)N(C)C;UKRBTGDUBPCQFW-UHFFFAOYSA-N;141.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389263;MM389263;CCC(=N)N(C=N)N(C)C;PTDHRAHQBJERGZ-UHFFFAOYSA-N;142.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389264;MM389264;CC#CC(CN)CCOC;NTSKPGKBRCZIBX-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389265;MM389265;CN(C)N(C=O)C(=N)CF;HYBOKPLUDXSWGK-UHFFFAOYSA-N;147.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389266;MM389266;CC#CC(CCCN)NC;GSPOZAQZFSRHSN-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389267;MM389267;C#CCONC=NN=CC;QXVMZZYKHNWOOL-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389268;MM389268;CC#CC(CCCC)OC;ZXAJKZTYMNLFQY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389269;MM389269;CCCC=NN=CNOC;KWYYGFOEVZYLIN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389270;MM389270;CC#CC(CCCO)OC;QUYLQKURJTXQOL-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389271;MM389271;C=CN(C(=N)NC)N(C)C;YTDHXLZRTYNUDY-UHFFFAOYSA-N;142.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389272;MM389272;CC#CC(CCNC)OC;QNRBBJONGGBMLD-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389273;MM389273;CN(C)N(C=N)C(=N)NO;PCUZFEAOCOTHOI-UHFFFAOYSA-N;145.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389274;MM389274;CC#CC(CCOC)OC;YBORHIKSBYLDOK-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389275;MM389275;CNC(=N)N(C=O)N(C)C;YPIJTKNGUHSBRV-UHFFFAOYSA-N;144.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389276;MM389276;CC#CC(CC)CNCC;MFKWDOZKBKEVIB-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389277;MM389277;CN(C)N(C=N)C(=O)NO;PSEVNJPHESSBQH-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389278;MM389278;CC#CC(CO)CNCC;GSWJJSFZTAYVOS-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389279;MM389279;CCN(C=N)C(=O)C1CN1;YOZRFQCRPRRDFQ-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389280;MM389280;CC#CC(CF)CNCC;VQRAKJQUNFLNSW-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389281;MM389281;CN(C)N(C=O)C(=O)NN;CCTHKFXCGWUTST-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389282;MM389282;CC#CC(CNCC)NC;POVSLGILFMOULR-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389283;MM389283;CN(C)N(C=O)C(=O)NO;WQEIOQNONXKBNK-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389284;MM389284;CC#CC(CC)COCC;QNPLWAIGELKDTQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389285;MM389285;COC(=N)N(C=O)N(C)C;AAGQSGDYORTUFM-UHFFFAOYSA-N;145.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389286;MM389286;CC#CC(COCC)NC;NBXOBWBFIJIFTI-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389287;MM389287;COC(=O)N(C=N)N(C)C;LZSSFCFFKVFFSA-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389288;MM389288;CC#CC(COCC)OC;MHMYTWXMTMWOIL-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389289;MM389289;C=CC(C(=C)C=O)C(C)C;SUZOUBDBTQJHCI-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389290;MM389290;CC#CC(CC)NCCN;ASEOFRYNOXIFDV-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389291;MM389291;C=CC(C(=C)C#N)C(C)C;REVDYLBDMHPLAQ-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389292;MM389292;CC#CC(CC)NCCO;LMVRAYVOUYRZSX-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389293;MM389293;C=CC(=C)C(C=O)C(C)C;QUTCGNNSBPDQFC-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389294;MM389294;CC#CC(CN)NCCC;MWAVRBZNYVHSRB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389295;MM389295;C=C(C#N)C(C=O)C(C)C;FMZGTGKCTGMHCI-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389296;MM389296;CC#CC(CN)NCCF;VTEUZCAWGCJJDN-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389297;MM389297;C=C(C#N)C(C#N)C(C)C;JNEVIBNEYMCWLU-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389298;MM389298;CC#CC(CO)NCCC;HDDGKMIUCCSYLJ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389299;MM389299;C=CC(=C)C(C=C)C(C)N;KQLYPCHLIPPFHZ-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389300;MM389300;CC#CC(CC)OCCC;OYZBBDPGQIODAA-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389301;MM389301;C=CC(C(=C)C=O)C(C)O;REQDDVZBSRUFPN-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389302;MM389302;CC#CC(CC)OCCN;AQOXJPRVQIUJHD-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389303;MM389303;C=CC(=C)C(C=O)C(C)O;XTONNZJZNPSRTI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389304;MM389304;CC#CC(CC)OCCO;NANLUZNFURXPRI-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389305;MM389305;C=C(C#N)C(C#N)C(C)O;WOBLTBZVLNJOGT-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389306;MM389306;CC#CC(CC)OCCF;BXUFXEGYUMOVQM-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389307;MM389307;C=CC(C(=C)C=O)C(F)F;MFUUPBQNYQDNFQ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389308;MM389308;CC#CC(CN)OCCC;UTISSHDPIBUGSY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389309;MM389309;C=CC(C(=C)C#N)C(F)F;CCVGFFMYIIPMAF-UHFFFAOYSA-N;143.14;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389310;MM389310;CC#CC(CO)OCCC;QWZBQIAAXBWRHO-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389311;MM389311;C=CC(C(=O)C#N)C(C)C;WYQRRCZDKAXXPR-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389312;MM389312;CC#CC(CO)OCCN;PRFVRDQODZMPOA-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389313;MM389313;C=CC(=O)C(C#N)C(C)C;CSVLBAFLZKYTTG-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389314;MM389314;CC#CC(OC)OCCC;KBQYFVMWOFEPNA-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389315;MM389315;NC=C(OC=NN)C(=O)O;DVMJXZUFQXLUCD-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389316;MM389316;CC#CC(OC)OCCF;YQTRZJAXHXJCTE-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389317;MM389317;C=CC(=O)C(C=C)C(F)F;GKFAWLKQCLFCPS-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389318;MM389318;CC#CC(OC)OCOC;FNVSOGAEKHNXDW-UHFFFAOYSA-N;144.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389319;MM389319;CON=CC(O)C(=O)O;HQNUZCFDYULGKE-UHFFFAOYSA-N;133.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389320;MM389320;C=CCCC(C#CC)CC;FVLLNGHZVGCLMI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389321;MM389321;C=CC(=C)N(C=N)C(C)C;HBLKGBSQOHQSFE-UHFFFAOYSA-N;138.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389322;MM389322;CC#CC(CC)CCC#N;IIFGYDOKAWPFAH-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389323;MM389323;C=CC(=C)N(C=O)C(C)C;VVVVXKHNFOMSLA-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389324;MM389324;C=CCCC(C#CC)NC;UPLHIUSIDKKSRV-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389325;MM389325;C=CC(=N)N(C=C)C(C)C;PPNFAGOVUZHXGQ-UHFFFAOYSA-N;138.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389326;MM389326;CC#CC(CCC=O)NC;GWTLRQHIUWOIBS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389327;MM389327;C=CN(C(=N)C#N)C(C)C;XCFTWEBFVKINDM-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389328;MM389328;CC#CC(CCC=O)OC;MDTMVUMNEXBDSV-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389329;MM389329;C=CC(=O)N(C=C)C(C)C;ISRGOHNOTZCXCM-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389330;MM389330;CC#CC(CCC#N)OC;ODJZKKPDSBVZPV-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389331;MM389331;C=CC(=C)N(C=O)N(C)C;JVWZJYUIJCCFJX-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389332;MM389332;CC#CC(CC)CNC=N;LKNLMDWDMKYSIK-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389333;MM389333;C=CC(=N)N(C=C)N(C)C;LRFXITPSORITAR-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389334;MM389334;C=NNCC(C#CC)CC;QMJMMSGLSUMTMJ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389335;MM389335;C=CC(=N)N(C=N)N(C)C;UAZXZWPKVPKXFT-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389336;MM389336;CC#CC(CNC=O)OC;RYJVAJXXCVFJDJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389337;MM389337;C=CC(=N)N(C=O)N(C)C;KTDUBXMLNJOJCY-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389338;MM389338;C=NNCC(C#CC)OC;SPZQWQIFHZQMCY-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389339;MM389339;C=CN(C(=O)C=O)N(C)C;HYRSHZQEKTXSLZ-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389340;MM389340;C=COCC(C#CC)CC;MTQIVXHDELKINY-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389341;MM389341;C=CC(=O)N(C=N)N(C)C;YFFJMEZWUHIARW-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389342;MM389342;CN(C)N(C=N)C(=O)C#N;JDHCFXJJGSNICZ-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389343;MM389343;C=COCC(C#CC)NC;IRBLBONWTRZLQQ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389344;MM389344;C#CC(=C)C(C=C)C(C)C;LFRYVNJSKRDLKG-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389345;MM389345;C=COCC(C#CC)OC;FUKFIHYFZGDELV-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389346;MM389346;C#CC(=C)C(C=O)C(C)C;PHJGOGBERYPVHO-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389347;MM389347;CC#CC(COC=O)OC;ZHMRCZQCAIAEBT-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389348;MM389348;C#CC(=C)C(C=C)C(C)N;SHNPIJVYCAUFSP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389349;MM389349;C=NOCC(C#CC)OC;PQGXMQLYWXNNHJ-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389350;MM389350;C#CC(=C)C(C#N)C(C)O;FSPLGCCCTOZLGO-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389351;MM389351;C=CCNC(C#CC)CC;ZNZIXMFZGQQGHW-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389352;MM389352;C#CC(=O)C(C=C)C(C)C;AMGBGCTYEFSORW-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389353;MM389353;CC#CC(CC)NCC#N;JDNBSCWGLXLVAS-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389354;MM389354;C#CC(=O)C(C=O)C(C)C;HMYTVSOOAQVMLX-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389355;MM389355;CC#CC(CN)NNC=N;XJMZOSDIFZHHMZ-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389356;MM389356;C#CC(=O)C(C=C)C(C)F;UIJMAIDZGGNIHP-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389357;MM389357;CC#CC(CN)NNC=O;SOFGCMPFPNVOQV-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389358;MM389358;NN=C1NOCO1;WSGOZEUPQGZLNL-UHFFFAOYSA-N;103.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389359;MM389359;C=CCOC(C#CC)CC;ADYSPQKIEFFBPX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389360;MM389360;C#CC(=C)C(C#N)N(C)C;OXSPABHSORMVPL-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389361;MM389361;CC#CC(CC)OCC=O;CUMQWSMPENXREB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389362;MM389362;C#CC(=O)N(C=C)C(C)C;ZJNPKOPCMZESJF-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389363;MM389363;CC#CC(CC)OCC#N;SDFPNPIMJFZPAZ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389364;MM389364;C#CC(C(=C)CN)C(C)N;XIELMKHTNZXXNR-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389365;MM389365;CC#CC(CO)OCC=O;WFCASHXJORQBFV-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389366;MM389366;C#CC(C(=O)CC)C(C)C;VBILUTUQHIUMKV-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389367;MM389367;CC#CC(CO)OCC#N;JLVWOFGTINRGLM-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389368;MM389368;C#CC(C(=O)CF)C(C)C;XXUKFIYFMSEFON-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389369;MM389369;C=CCOC(C#CC)OC;LZLDVIUIDITZSA-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389370;MM389370;C#CC(C(=O)CO)C(C)O;IVCYLUICXXORGM-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389371;MM389371;CC#CC(OC)OCC=O;BMXFNWZJCRJXQZ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389372;MM389372;C#CC(C(=O)CF)C(C)F;YZBDYYSVLWUXJW-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389373;MM389373;CC#CC(OC)OCC#N;WNIOUDXGTASPKG-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389374;MM389374;CC#CC(CC)ONC=N;GTXAOBYNEDPFJZ-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389375;MM389375;C#CC(C(=N)NN)C(C)O;XDGYYRVQKSSZNI-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389376;MM389376;CC#CC(CC)ONC=O;NUMCKLDSJPKPSZ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389377;MM389377;C#CC(C(=N)NC)C(F)F;AULSSASAHDJAGD-UHFFFAOYSA-N;146.14;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389378;MM389378;CC#CC(CO)ONC=N;RETDIKVCQRQEKA-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389379;MM389379;C#CC(C(=O)NC)C(C)C;BIWRESLRUYLRRW-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389380;MM389380;CC#CC(CF)ONC=N;XMWRSSHVABLMPT-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389381;MM389381;C#CC(C(=O)NC)C(C)N;ZLXXIMHFLCNTOK-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389382;MM389382;CC#CC(OC)ONC=N;YAJTVWMCYWEBQT-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389383;MM389383;C#CC(C(=O)NC)C(C)O;HCHCXVPKXMVOFF-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389384;MM389384;C#CCCC(C#CC)CC;CSXUNHOAPBZVMS-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389385;MM389385;CNc1ccc[nH]1;RWZJKDJLHGHDGN-UHFFFAOYSA-N;96.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389386;MM389386;C#CCOC(C#CC)CC;OOFKWUSBYPIBMH-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389387;MM389387;C#CC(C(=O)NO)C(C)O;LDLYOJHFCXTCPA-UHFFFAOYSA-N;143.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389388;MM389388;C#CCOC(C#CC)CO;ASIRZFBXBLBXJV-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389389;MM389389;C#CC(C(=O)NC)C(F)F;GUBJYLJOZZTXOB-UHFFFAOYSA-N;147.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389390;MM389390;C=CC(C#CC)CCCC;QAXIDYVBPMFFNR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389391;MM389391;C#CC(C(=O)OC)C(C)C;KMPSKKPPUFYMDJ-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389392;MM389392;C=CC(C#CC)CCCN;MDPKKWYWEOFZLS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389393;MM389393;C#CC(C(=C)CN)N(C)C;JCOASSJGSYNSKW-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389394;MM389394;C=CC(C#CC)CCCF;QQRXJWOJYAMOFY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389395;MM389395;C#CC(C(=C)C=C)C(C)C;OPJYINDJCBPRNM-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389396;MM389396;CC#CC(C#N)CCCC;NGLJACRBKPUQHE-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389397;MM389397;C#CC(C(=C)C=O)C(C)C;UATBGVPSZUWZIC-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389398;MM389398;CC#CC(C#N)CCCO;LDRVJONMAJYYOL-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389399;MM389399;C#CC(C(=C)C#N)C(C)C;KROKENWWYOVJHW-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389400;MM389400;CC#CC(C=O)CCCF;XBTVAYBKUOTMAE-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389401;MM389401;C#CC(C(=C)C=C)C(C)N;YPYWJFIFNIUIOK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389402;MM389402;CC#CC(C#N)CCCF;ANVNNIQIXGQRCH-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389403;MM389403;CC(=O)ON=CNN;CTCFNTSEXFVJEE-UHFFFAOYSA-N;117.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389404;MM389404;C=CC(C#CC)CCNC;XKZIFMLRIBFHHO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389405;MM389405;C#CC(C(=C)C#N)C(C)O;VAKNCFPBFDHUDJ-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389406;MM389406;CC#CC(C#N)CCNC;YXORVYGBLMKYCN-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389407;MM389407;C#CC(C(=C)C#N)C(C)F;OBQASAPVOPSIGN-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389408;MM389408;C=CC(C#CC)CCOC;RPIKWFNVZDICCS-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389409;MM389409;C#CC(C(=O)C=C)C(C)C;AZPRMIFREBICPG-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389410;MM389410;CC#CC(C=O)CCOC;LILLGTGOKORWTH-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389411;MM389411;C#CC(C(=O)C#N)C(C)C;ALVIAEZTTIOVBX-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389412;MM389412;CC#CC(C#N)CCOC;YEDQKSIWCQWHHU-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389413;MM389413;C#CC(C(=O)C=C)C(C)F;KXKWORACYBRZAE-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389414;MM389414;C=CC(C#CC)CNCC;MUNWRQKOBBLNAQ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389415;MM389415;C#CC(C(=O)C=O)C(C)F;KDMMZRVVRCDGNW-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389416;MM389416;C=CC(C#CC)COCC;GNDQEQTYHRCECK-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389417;MM389417;C#CC(=C)C(C#C)C(C)C;WODGPYGXLCGDQP-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389418;MM389418;C=CC(C#CC)NCCC;REQVAVRZFUHOHU-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389419;MM389419;C#CC(=O)C(C#C)C(C)C;PQHGKTKXJJHKBA-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389420;MM389420;C=CC(C#CC)NCCN;SCFJPZYTSXQAOS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389421;MM389421;C=C(C)C(CN)C(=C)CO;LZEYRPPSEACFHN-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389422;MM389422;C=CC(C#CC)OCCN;NOXQRXQGIQVUMN-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389423;MM389423;C=C(C)C(CO)C(=C)CN;UEHCFOILZJKSRU-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389424;MM389424;C=CC(C#CC)OCCO;YSXKRBPAKSNUKO-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389425;MM389425;C=C(CO)C(CC)C(C)=O;SVCZLDZPSOUNEP-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389426;MM389426;CC#CC(C#N)OCCC;SWGQEJWNKCPORC-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389427;MM389427;C=C(CO)C(CF)C(C)=O;JXJBWUVSOBKYPM-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389428;MM389428;CC#CC(C#N)OCCO;FFZLZDLPQUNDOS-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389429;MM389429;C=C(CN)C(CC)C(=N)N;JZNLMPFXIOAREG-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389430;MM389430;CC#CC(C=O)OCCF;BIKHPPFUCBQZFM-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389431;MM389431;C=C(CC)C(CN)C(=N)N;OMCYWPDBUFWLMD-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389432;MM389432;C=CC(C#CC)CCC=O;XJGOBKRWMHYTDP-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389433;MM389433;C=C(CC)C(CN)C(N)=O;SQUJZAGEQSIEKH-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389434;MM389434;C=CCCC(C#N)C#CC;KSWKDIUYHGBJDE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389435;MM389435;C=C(CC)C(CF)C(N)=O;VQXJROBCSGBVKB-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389436;MM389436;CC#CC(C#N)CCC=O;GHILTNJWPWOCRT-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389437;MM389437;C=CC(N)=C(F)C(=O)O;HLWRMIFZINSSFN-UHFFFAOYSA-N;131.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389438;MM389438;CC#CC(C#N)CCC#N;OJBOQXUNQQIYNX-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389439;MM389439;CN=c1[nH]nc(OC)o1;MFIHSHFHYCQCAC-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389440;MM389440;C=CC(C#CC)CNC=N;BWRYSNMIMJPOOT-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389441;MM389441;CCNC=CC(=O)O;LBNIDYNHCRRBFK-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389442;MM389442;CC1C(C=O)=CCC1CO;DQSIMJRFYQHCQG-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389443;MM389443;C=C(F)C(CN)C(=C)CF;GPMRMDATXABIQK-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389444;MM389444;CC1C(CC#N)=CCC1O;MFJKGUFANNWEGA-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389445;MM389445;C=C(F)C(CO)C(=C)CN;OMNBISFGLIICKR-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389446;MM389446;CC1C(C=CCC=O)N1C;VRULNMGAPKXXTL-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389447;MM389447;C=C(F)C(CF)C(=C)CN;BQOAESZFCUPJDB-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389448;MM389448;C=CC(C#CC)COC=O;IIWCSBXCVYQYQP-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389449;MM389449;C=C(C)C(CF)C(=O)CC;KVICCCKTMZQYDM-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389450;MM389450;C=CC(C#CC)NCC#N;DNXSEEKODAVXGH-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389451;MM389451;C=C(C)C(CF)C(=O)CF;DXAOFZRHIQHVJA-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389452;MM389452;CC#CC(C=O)NN=CN;VOSDPZREXRPURX-UHFFFAOYSA-N;139.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389453;MM389453;CC(=O)C(CO)C(=O)CO;ZEXWHFNTLQNGHM-UHFFFAOYSA-N;146.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389454;MM389454;C=CCOC(C#CC)C=C;ZFIQDCBHWZDVMA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389455;MM389455;CCC(=O)C(CF)C(=N)N;MMDPEPHOYBKKSL-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389456;MM389456;C=CC(C#CC)OCC=O;HHQBIGPBNXHSOR-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389457;MM389457;C=C(F)C(CO)C(=O)CF;RLPAAIGUBOCHTQ-UHFFFAOYSA-N;150.12;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389458;MM389458;CC#CC(C=O)OCC=O;AVBPLMIZYSHPFI-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389459;MM389459;C=C(C)C(CF)C(=N)NN;RZDQVJUYMSPMPH-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389460;MM389460;C=CC(C#CC)ONC=N;ZRQKRIUEWSPLTF-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389461;MM389461;C=C(C)C(CF)C(=N)NO;NWXBUOXOUPFOFD-UHFFFAOYSA-N;146.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389462;MM389462;C=CC(C#CC)ONC=O;XBMOJEACGBRKCO-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389463;MM389463;N=C(N)C(CO)C(=N)NN;SOVOWVGPAKTDOY-UHFFFAOYSA-N;145.17;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389464;MM389464;C#CCCC(C#N)C#CC;GNBBGLACBACWSK-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389465;MM389465;C=C(F)C(CF)C(=N)NN;SNWCJJVUJXSBNP-UHFFFAOYSA-N;149.14;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389466;MM389466;CCC1=CC2C(C=O)N2C1;RNBXUYVSXZEDJK-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389467;MM389467;CCC(C(C)=O)C(=O)NO;PLHSMBJNHJZKAJ-UHFFFAOYSA-N;145.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389468;MM389468;C#CCOC(C#N)C#CC;GHJRHHJVSCFKNB-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389469;MM389469;CNC(=O)C(CO)C(C)=O;RYVZCIGMOYJKRC-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389470;MM389470;C#CC(C#CC)CCCC;FFXGDYHDMBVUNK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389471;MM389471;CNC(=O)C(CO)C(=N)N;CYALHSIOGJXDOR-UHFFFAOYSA-N;145.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389472;MM389472;C#CC(C#CC)CCCN;UWPRNVMTMZHHSG-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389473;MM389473;CC12CC(O)CC1C2;JYSKZCQJSXBSKF-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389474;MM389474;C#CC(C#CC)CCOC;BLZJMJRQSOLUMZ-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389475;MM389475;C=C(F)C(CO)C(=O)NC;BVFPSTBVGVBLNV-UHFFFAOYSA-N;147.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389476;MM389476;C#CC(C#CC)COCC;AJQNFUJYOYAZFP-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389477;MM389477;C=C(OC)C(CO)C(=N)N;AQMLMFNJIUPJPH-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389478;MM389478;C#CC(C#CC)OCCC;CAZAFMWRXDWZAY-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389479;MM389479;COC(=O)C(CF)C(C)=O;ZOAPQXOBJRZAGH-UHFFFAOYSA-N;148.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389480;MM389480;C#CC(C#CC)OCCN;CTBPNWUAPBPHBC-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389481;MM389481;COC(=O)C(CO)C(N)=O;YTOMLUFFYUMTTO-UHFFFAOYSA-N;147.13;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389482;MM389482;C#CC(C#CC)OCCO;CLTYKQRHHPNOQR-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389483;MM389483;C=C(F)C(CN)C(=O)OC;FOUYBTMTQDLXOI-UHFFFAOYSA-N;147.15;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389484;MM389484;C#CC(C#CC)OCCF;YQDWEWBAFGROAT-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389485;MM389485;C=C(C)C(NC)C(=C)CC;YWLWXZIVZOWCKD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389486;MM389486;C#CC(C#CC)OCOC;GYEZRUWYKDAANF-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389487;MM389487;CNC(C(=N)N)C(=O)NN;FQPUSWDTIGJGEJ-UHFFFAOYSA-N;145.17;-2.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389488;MM389488;C#CC(C#CC)CCC#N;XHWRYFCLJXSBEY-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389489;MM389489;C=C(CF)C(OC)C(N)=O;ZSOGCKSRGUQGSU-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389490;MM389490;C#CC(C#CC)CNC=N;DKTBARLHACDBMY-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389491;MM389491;C=C(F)C(OC)C(=C)CO;HABFMLGLSZVSHQ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389492;MM389492;C#CC(C#CC)CNC=O;TVCJCXCJQGSKNZ-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389493;MM389493;CCC(=O)C(OC)C(=N)N;WWPBBOCUDKBHEF-UHFFFAOYSA-N;144.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389494;MM389494;C#CC(C#CC)COC=O;OPNSITWPXZWBLV-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389495;MM389495;COC(C(=N)N)C(=O)CO;NJUFYNZLPBHSTL-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389496;MM389496;C#CC(C#CC)NCC#N;LXORRYVCKMMKED-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389497;MM389497;COC(C(N)=O)C(=O)CO;YNHZNUXHHIHGFX-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389498;MM389498;C#CC(C#CC)OCC=O;GBYXZAHSKUVKPJ-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389499;MM389499;COC(C(N)=O)C(=O)CF;WGRAWEIAIXXSCT-UHFFFAOYSA-N;149.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389500;MM389500;C#CC(C#CC)OCC#N;PWASNIZWRDCVLL-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389501;MM389501;CNC(=N)C(OC)C(N)=O;AGAIENOOLRGCQE-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389502;MM389502;C#CC(C#CC)ONC=O;DEZCMCGUHFOHRZ-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389503;MM389503;NN=C(NN)OC=O;LUXLSRCPCKUPJN-UHFFFAOYSA-N;118.1;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389504;MM389504;C#CCOC(C#C)C#CC;PLKDJMJNWBGJJN-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389505;MM389505;COC(C(C)=O)C(=O)NO;BOXSBIMLDIDWBP-UHFFFAOYSA-N;147.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389506;MM389506;CC#CC(CC)CC=CC;HABCOXDPJUHNQL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389507;MM389507;COC(C(=N)N)C(=O)NN;LDNXPBKQDOKCEB-UHFFFAOYSA-N;146.15;-2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389508;MM389508;CC#CC(CN)CC=CC;XXSPWRDPALPKNM-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389509;MM389509;COC(C(=N)N)C(=O)NO;ITEAYNJPQXGLMF-UHFFFAOYSA-N;147.13;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389510;MM389510;CC#CC(CN)CC=CF;XZZWOOOHTVMHTH-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389511;MM389511;CNC(=O)C(OC)C(N)=O;CGCMTJFORSRVNY-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389512;MM389512;C#CC1CC(C)(O)C1;IKZWSTBBFZFXKN-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389513;MM389513;COC(C(N)=O)C(=O)NN;QGEJELMNERTJSD-UHFFFAOYSA-N;147.13;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389514;MM389514;CC#CC(CC)CC=NN;MXLSNDSYQZYCPC-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389515;MM389515;NN=C(NN)C(O)C(=O)O;KNNBPACQAILEGT-UHFFFAOYSA-N;148.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389516;MM389516;CC#CC(CF)CC=NN;VQPWMVNLSARCTL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389517;MM389517;CN=CNN=CC(=O)O;JKALONMLTKTXNH-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389518;MM389518;CC#CC(CC=CC)NC;KGXKBGXWVNSNNX-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389519;MM389519;CN(C=N)N=CC(=O)O;PHKZTLVHKRUMBC-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389520;MM389520;CC#CC(CC=CF)NC;XOFFEUNKDMLLGD-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389521;MM389521;C=C(F)C(OC)C(=O)NN;QRPRJZSYABLZLZ-UHFFFAOYSA-N;148.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389522;MM389522;CC#CC(CC=CC)OC;JMNUNHFNPVTYTB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389523;MM389523;C=C(F)C(OC)C(=O)NO;VTIMKHHUCYWCDU-UHFFFAOYSA-N;149.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389524;MM389524;CC#CC(CC=NO)OC;SLNXWUCIUHOJGE-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389525;MM389525;C=C(OC)C(OC)C(=N)N;NRLOGOPGTPSBEW-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389526;MM389526;C#CC(F)C(C)=NN;OXIYTXNCKHCIHQ-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389527;MM389527;COC(=O)C(OC)C(N)=O;COWOQGGIJCRYFB-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389528;MM389528;CC#CC(CO)NC=NC;KVOQTUHKCRXEAI-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389529;MM389529;C=C(F)C(OC)C(=O)OC;HTUGMQIAMBABNK-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389530;MM389530;CC#CC(CC)NN=CC;TWESAFUDMKMRLX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389531;MM389531;C=C(CC)N(CC)C(C)=N;VSGUKFOQHANEBT-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389532;MM389532;CC#CC(CN)NN=CC;ZTOSBIJETXIGRN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389533;MM389533;C=C(CC)N(CC)C(=N)N;QYILLXNBHDUPDQ-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389534;MM389534;CC#CC(CC)OC=CC;SMEWUZXUWYTRNR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389535;MM389535;C=C(CO)N(CC)C(N)=O;JVAVMRLTDCCITH-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389536;MM389536;CC#CC(CN)OC=CF;VNXFROSXQOQDPX-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389537;MM389537;CCN(C(C)=N)C(=N)CO;ZUHVDVICVGACGW-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389538;MM389538;CC#CC(CO)OC=CC;LENSBSLRAPWPKU-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389539;MM389539;CCN(C(=N)N)C(=N)CF;BFHMZRZTGKODMD-UHFFFAOYSA-N;146.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389540;MM389540;CC#CC(CC)ON=CC;VORGQOSIQPMCHV-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389541;MM389541;CCN(C(C)=O)C(=O)CO;JZVIOMDIAXAYKG-UHFFFAOYSA-N;145.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389542;MM389542;CCC1NC1C(C)=O;BWXPONDENMAJMA-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389543;MM389543;CCC(=O)N(CC)C(=N)N;YSDAIGFHXJAQDG-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389544;MM389544;N#Cc1c[nH]cc1N;AXJHCHWDKIMBOE-UHFFFAOYSA-N;107.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389545;MM389545;CCN(C(C)=N)C(=N)NO;DRIVHKTZBLRNIU-UHFFFAOYSA-N;144.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389546;MM389546;C=CC(C#CC)CC=CC;IDJLLKHRAONMKU-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389547;MM389547;CCN(C(N)=O)C(=O)NC;OEGWUFXKGCUPBO-UHFFFAOYSA-N;145.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389548;MM389548;CC#CC(C#N)CC=CF;DGVISTIKBDFZOI-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389549;MM389549;CC1ONC(=NN)O1;UKJGQPQJKXFWSS-UHFFFAOYSA-N;117.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389550;MM389550;C=CC(C#CC)CC=NN;UUEPURMLIGTQEZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389551;MM389551;C=C(C)N(CC)C(=N)OC;BEMQRWVVFQBMQX-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389552;MM389552;CC#CC(C#N)CC=NO;ZUAOXOLZLFNWER-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389553;MM389553;C=C(CC)N(NC)C(=N)N;XTYRHEGVKBVWEC-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389554;MM389554;C#CC1C=CC(C)(O)C1;VELGDUQEUNFMGF-UHFFFAOYSA-N;122.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389555;MM389555;CCC(=N)N(NC)C(=N)N;XWDYQUAFUUOPOT-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389556;MM389556;C=CC1(O)C=CC(C)C1;GVXVDJAYIDDVGW-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389557;MM389557;CNN(C(=N)N)C(=N)CN;ZRMFQDBAGCIVES-UHFFFAOYSA-N;144.18;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389558;MM389558;CC#CC(C#N)OC=CC;PFYABWRQMYDREY-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389559;MM389559;NN1CCOCC1=O;GBDKFJBSSMHJRO-UHFFFAOYSA-N;116.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389560;MM389560;CC#CC(C#N)OC=CF;RMRQHMNWQRDSPC-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389561;MM389561;NN=c1occn1N;YKMCYUJCKYPSBO-UHFFFAOYSA-N;114.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389562;MM389562;CC#CC(C=O)OC=NO;OTTZXGVBUCBJGO-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389563;MM389563;CNN(C(=N)N)C(=O)CN;PVDLEUDGNTXPNH-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389564;MM389564;C=CC1(O)C=C(C)CC1;OZDUMOSHFDVYPJ-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389565;MM389565;CNN(C(=N)N)C(=O)CO;KEWSJQWRKBPYPD-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389566;MM389566;C#CC(C#CC)CC=CC;XEQVMNYVBBHLTJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389567;MM389567;Cn1cnoc1=NN;SNNHLNJYGRZFFL-UHFFFAOYSA-N;114.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389568;MM389568;C#CC(C#CC)CC=CF;OORTWXGKQBOIJY-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389569;MM389569;Cn1ncoc1=NN;PRINARPBXVLDSE-UHFFFAOYSA-N;114.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389570;MM389570;C#CC(C#CC)N=CNN;NTHJSBTYHDZBFW-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389571;MM389571;CNC(=N)N(NC)C(C)=N;UFUXFWAOZDCQBS-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389572;MM389572;C#CC1(CC(C)O)CC1;FUUCKCBMFJRPCY-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389573;MM389573;CNC(=N)N(NC)C(C)=O;VJVKQLRHCANKSE-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389574;MM389574;C#CC(C#CC)OC=CC;ZRLNRMYDEDYJBD-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389575;MM389575;CNC(=N)N(NC)C(N)=O;JIJFUPUMDQRECI-UHFFFAOYSA-N;145.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389576;MM389576;C=CCNN=CC(C)=O;ADRGAHMUXLSZDC-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389577;MM389577;CNN(C(=N)NN)C(N)=O;PWRONUCZROOKJP-UHFFFAOYSA-N;146.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389578;MM389578;C#CC(C#CC)OC=NO;DANJAAWCWJAZPS-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389579;MM389579;CC1(C)ONC(=NN)O1;AGKVNXURPWKASO-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389580;MM389580;C#CC(C#CC)ON=CC;IOXIABXKERPIDZ-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389581;MM389581;CCC(C)CC1(O)CC1;OFGHSKQDCVOJSX-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389582;MM389582;CC#CCC(C#CC)CC;SBDMDIMUTAYZCM-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389583;MM389583;C=C(OC)N(NC)C(C)=N;SCBRGSUCKKBISV-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389584;MM389584;C=CC(C#CC)CC#CC;XGGDCFOEBNZYDI-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389585;MM389585;C=C(OC)N(NC)C(C)=O;LRSIGRZQSLVFBO-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389586;MM389586;C#CC(C#CC)CC#CC;JGBPLJSHIUFJCI-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389587;MM389587;C=C(OC)N(NC)C(=N)N;UIWINYFMMBLRHW-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389588;MM389588;CC=C(CCC)CCCC;UIIPITBMCDFSTR-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389589;MM389589;CC(=O)OC(=NN)NN;VYNPZEJGTYFRCS-UHFFFAOYSA-N;132.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389590;MM389590;CC=C(CCN)CCCC;RMFVGCCEDZJZKL-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389591;MM389591;CNN(C(=N)N)C(=N)OC;SQGNNTJHFRYFIT-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389592;MM389592;CC=C(CCN)CCCN;WFXPXDOFUVAUKR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389593;MM389593;CNN=CC(=O)CCF;NRAKFGQDNWZIDS-UHFFFAOYSA-N;132.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389594;MM389594;CC=C(CCN)CCCF;KMYLBAIQWVTWHS-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389595;MM389595;CNN(C(=N)N)C(=O)OC;DKSBMGJQYGBXPZ-UHFFFAOYSA-N;146.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389596;MM389596;CCCC(=CF)CCCN;GEEHUZNECKKYLL-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389597;MM389597;CNN=CNC(=N)C#N;LQUZEKZCBGMZSI-UHFFFAOYSA-N;125.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389598;MM389598;C=CC(C)C1(C)CC1O;LHZUCVZBWIAYNV-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389599;MM389599;C=C(CC)N(OC)C(C)=N;DYMMHTVGYNBHPR-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389600;MM389600;CCCCC(=CF)CCN;NZZHQYYTKQZVJN-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389601;MM389601;C=C(CO)N(OC)C(C)=N;YSAVKVAMKPMZDD-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389602;MM389602;NCCCC(=CF)CCN;VHOYFTBQTLIWSS-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389603;MM389603;C=C(CO)N(OC)C(C)=O;NZUYCJIMIYOLHP-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389604;MM389604;NCCC(=CF)CCCF;DPRRQWLZSXBFSH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389605;MM389605;C=C(CO)N(OC)C(=N)N;AFPURWZJLISHKG-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389606;MM389606;NCCCC(=CF)CCF;MSRDYECBCOTLSP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389607;MM389607;C=C(CO)N(OC)C(N)=O;UOWLPGYOISTGIM-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389608;MM389608;C=NN=CNC(=N)CF;KJMJOSCZNWKJKX-UHFFFAOYSA-N;130.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389609;MM389609;C=C(C)N(OC)C(=N)CC;BXSBATOKTHCQFZ-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389610;MM389610;FC=C(CCF)CCCF;AXWPKTVYCOHOLR-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389611;MM389611;CCC(=N)N(OC)C(=N)N;DQLOUOPJOIVEGZ-UHFFFAOYSA-N;144.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389612;MM389612;CC=C(CCN)CCNC;INFYVTYTLOTNRS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389613;MM389613;CON(C(=N)N)C(=N)CN;BJEMIBUERSTGGZ-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389614;MM389614;CC=C(CCF)CCNC;NZPDMPRZMFXNKP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389615;MM389615;CON(C(=N)CF)C(N)=O;XJRBPSCWUWROEJ-UHFFFAOYSA-N;149.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389616;MM389616;CCCC(=CF)CCNC;AXGSCZRBGBJQDL-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389617;MM389617;CCC(=O)N(OC)C(C)=N;PCZGHWPZDTYWKA-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389618;MM389618;CNCCC(=CF)CCN;ZSSRIEDPCFLNDX-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389619;MM389619;CCC(=O)N(OC)C(N)=O;UZLADBRUIXCVSX-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389620;MM389620;CNCCC(=CF)CCF;XDYDFWWKPJOMSQ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389621;MM389621;CNC(=N)N(OC)C(=N)N;PEMIQXITAPHMES-UHFFFAOYSA-N;145.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389622;MM389622;CC=C(CCCF)CNC;ACQJIJYLHUCQHN-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389623;MM389623;CON(C(=N)N)C(=N)NN;RNKSTXYTZUKQAE-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389624;MM389624;CCCCC(=CF)CNC;MNMDDVQEPBTYOK-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389625;MM389625;CON(C(C)=O)C(=O)NN;PEBSGNBTEJHZIR-UHFFFAOYSA-N;147.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389626;MM389626;CNCC(=CF)CCCF;RWNFDTIQJQHXPI-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389627;MM389627;CON(C(C)=O)C(=O)NO;SPZPTXPMQJZOKJ-UHFFFAOYSA-N;148.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389628;MM389628;C=CCCCC1(O)CC1;LKOOMCVJEDKGAU-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389629;MM389629;COC(=N)N(OC)C(C)=N;MYYITCLFFCAQLC-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389630;MM389630;CC=C(CCNC)COC;FOXMWEFTFTVQHW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389631;MM389631;COC(=N)N(OC)C(N)=O;MYFUCBKIDKPNHB-UHFFFAOYSA-N;147.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389632;MM389632;N=C1C=C(C=O)NC1=N;GPIMHVOQUHPPEY-UHFFFAOYSA-N;123.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389633;MM389633;C=C(C=O)C(CO)C(C)=O;FADFTWHQOSMKJK-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389634;MM389634;CCCCC(CCF)=NN;UZOGRWJZZWZTPF-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389635;MM389635;C=C(C#N)C(CC)C(=N)N;ZOQLNRSDJVMJJT-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389636;MM389636;CNN=c1onc(N)o1;VREBTBVDYIZCKQ-UHFFFAOYSA-N;130.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389637;MM389637;C=CC(=C)C(CN)C(=N)N;CYJAUXMYGKGHKT-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389638;MM389638;NN=C(CCF)CCCF;VKJQEBPMCVVFCP-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389639;MM389639;C=CC(=C)C(CF)C(=N)N;GUIMAQCXUWKPJF-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389640;MM389640;CCCC(CCCN)=NO;QVHZXJJUKRTDOM-UHFFFAOYSA-N;144.22;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389641;MM389641;C=C(C#N)C(CF)C(=N)N;VIMLMFMPMXTUFC-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389642;MM389642;CCCC(CCCF)=NO;ZMMDMUHLMQFHLQ-UHFFFAOYSA-N;147.19;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389643;MM389643;C=CCC(=C)C(O)CC;IJPHTMMPKFMNQV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389644;MM389644;CCCCC(CCF)=NO;ZTKRPXRPYIYWDO-UHFFFAOYSA-N;147.19;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389645;MM389645;C=C(C=O)C(CC)C(N)=O;PSQNTWPXRBFPSX-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389646;MM389646;NCCCC(CCF)=NO;KYPIHXVBUCNCCV-UHFFFAOYSA-N;148.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389647;MM389647;C=C(C=O)C(CO)C(N)=O;QPTLKGMRXHOVSD-UHFFFAOYSA-N;143.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389648;MM389648;ON=C(CCF)CCCF;OAJBSUMWQDCKOW-UHFFFAOYSA-N;151.16;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389649;MM389649;C=C(C#N)C(CF)C(=O)O;UDVTVVSBYMPHSX-UHFFFAOYSA-N;143.12;0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389650;MM389650;CCCC(CCNC)=NN;YGDUFGJFMJKXJO-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389651;MM389651;C=C(C)C(CC)C(=O)C#N;BIXZTVPTSVZTPY-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389652;MM389652;CNCCC(CCF)=NN;FSLLAJQRIHKMNQ-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389653;MM389653;NC(=O)C(CF)C(=O)C=O;UBPMWCQZMCJPTQ-UHFFFAOYSA-N;147.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389654;MM389654;CNCCC(CCF)=NO;GKFQPSQOZXXRGD-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389655;MM389655;CNC(C(=N)N)C(=O)C#N;MOFWOYYXSHIXOB-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389656;MM389656;CC=C(CCN)CNCC;YIWSXSNFEZHFCP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389657;MM389657;CNC(C(N)=O)C(=O)C#N;TZDRYFRBMQKKOQ-UHFFFAOYSA-N;141.13;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389658;MM389658;CCCC(=CF)CNCC;CFZZWXYEKOYXJA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389659;MM389659;C=CC(=C)C(OC)C(=N)N;UEOMUBBEDMACBG-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389660;MM389660;CCNCC(=CF)CCF;XIERAZOBIRHYLQ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389661;MM389661;COC(C(=N)N)C(=O)C#N;HBCRFDOSNJLZGY-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389662;MM389662;CCNCC(=CF)COC;JTIAFGCQQHTTOH-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389663;MM389663;C=C(F)C(OC)C(=O)C=O;UKWXFSBNUSNKOC-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389664;MM389664;CC=C(CCN)COCC;OPTNLQSRZBZMFE-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389665;MM389665;C=C(F)C(OC)C(=O)C#N;UPVBFZKMLNNLED-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389666;MM389666;CC=C(CNC)COCC;CRCLMLZVNSHQAU-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389667;MM389667;C=CC(=C)N(CC)C(C)=N;OFQGNWZAVYITEO-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389668;MM389668;CCOCC(=CF)CNC;NFWJHVKBYNHQMF-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389669;MM389669;C=C(C#N)N(CC)C(C)=N;CZRHPRYQTQUWCQ-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389670;MM389670;CCOCC(COC)=NN;FAMHSWZPRZOPQA-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389671;MM389671;C=CC(=C)N(CC)C(=N)N;IFZDYMGKCTXIHB-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389672;MM389672;CCCCC(=NN)NCC;UMBLTMDRBSCXBW-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389673;MM389673;C=C(C)N(CC)C(=N)C=O;YDPVITSMKWLFDO-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389674;MM389674;CCN=C(CCCO)NN;LUNYTBDRYHYZDM-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389675;MM389675;C=C(C)N(CC)C(=O)C#N;ITEPSZCPVZFYSV-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389676;MM389676;CCN=C(CCCN)NO;DALWLWOBQXOIJC-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389677;MM389677;C=CC(=O)N(CC)C(C)=N;ZPTHZCLGYNRDOI-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389678;MM389678;CCN=C(CCCO)NO;KMQWCULQYHBKAZ-UHFFFAOYSA-N;146.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389679;MM389679;C=CC(=C)N(NC)C(=N)N;KKXKDCKIXXXBSQ-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389680;MM389680;CCN=C(CCNC)NN;LXXQEEWLDZLWTA-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389681;MM389681;C=C(C#N)N(NC)C(=N)N;LXAXCXHBWPIAOD-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389682;MM389682;CCN=C(CCNC)NO;GAJXATATFMVWOU-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389683;MM389683;CC=CC(F)C(C)=NN;ACAPGABYVPBICC-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389684;MM389684;CNN=C(CCCO)NC;LXYKSZGQHXCLKE-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389685;MM389685;CNN(C(=N)N)C(=N)C=O;HTGALDDWVJSZJJ-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389686;MM389686;CNN=C(CCCN)NO;LKLGMIHTBGCFJT-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389687;MM389687;C=CC=C(C)C(O)CC;DFWFAYVPDZQICD-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389688;MM389688;CNCCC(=NNC)NC;BLOXFLNNPBGNEH-UHFFFAOYSA-N;144.22;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389689;MM389689;C=NN=C(C)C(C)C=O;VAYZWMKICMRQQO-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389690;MM389690;CNN=C(CCOC)NC;OZYCGJQUOAQPFP-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389691;MM389691;CNN=C(C=CF)NN;SYAHMCGWLGBGOM-UHFFFAOYSA-N;132.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389692;MM389692;C#CC12CC(O)CC1C2;QNNHHLRUUKMPFX-UHFFFAOYSA-N;122.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389693;MM389693;C=CC(=O)N(NC)C(=N)N;WFJKPUKBKSGVKD-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389694;MM389694;C#CC1CC(C=C)C1O;KXHOAOVCXMTKNA-UHFFFAOYSA-N;122.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389695;MM389695;C#CC(C(C)C)C(C)O;FBMQXMXRIOMJKE-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389696;MM389696;CON=C(CCCN)NO;PKQKVSHNEJBFLL-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389697;MM389697;C=CC(=C)N(OC)C(N)=O;JANVPOJTXINJCQ-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389698;MM389698;Cc1[nH]cc(C#N)c1N;RVDTZUSDDPTDFC-UHFFFAOYSA-N;121.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389699;MM389699;CON(C(C)=N)C(=N)C#N;FLQWGIBFQZUKNL-UHFFFAOYSA-N;140.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389700;MM389700;CNCCC(=NOC)NO;VBZBWYDHGXNVKK-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389701;MM389701;CON(C(=N)C#N)C(C)=O;XCYMQBUWHRLKLK-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389702;MM389702;CCN=C(COCC)NC;OVACTYMIBQIDLG-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389703;MM389703;C=CC(=N)N(OC)C(=N)N;FRFRUTQQDVABPL-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389704;MM389704;CCOCC(=NNC)NC;SAMXSEMVXVYAGZ-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389705;MM389705;Nc1nnn(N)c(=O)n1;SVOAHUUDTPTDND-UHFFFAOYSA-N;128.1;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389706;MM389706;C=CC(C)C1C(C)C1O;RYSIUIPMGALRTJ-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389707;MM389707;CON(C(C)=N)C(=O)C=O;QVAWNSXTFCTPMC-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389708;MM389708;CCOCC(=NOC)NC;OAEDNRGAUVPTMM-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389709;MM389709;CON(C(C)=O)C(=O)C=O;LBBXLNSIUVBGJE-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389710;MM389710;C=CCC1C(O)C1CC;DTQBKWPVFIHEFM-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389711;MM389711;C=CC(=O)N(OC)C(N)=O;GQICWVFBYYBTAY-UHFFFAOYSA-N;144.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389712;MM389712;CCOC(CCCO)=NO;HLADKHZHUDQEBF-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389713;MM389713;C#CC(=C)C(CO)C(=N)N;FWAIHXUSHIZEFU-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389714;MM389714;CC(CC=O)CC(C)(C)O;GLFLDCDDZNCVTQ-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389715;MM389715;C#CC(=C)C(CO)C(N)=O;MTZQIKJXJKROFP-UHFFFAOYSA-N;139.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389716;MM389716;CCOC(CCOC)=NO;MDEOVLKWYODKML-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389717;MM389717;C#CC(=O)C(CO)C(N)=O;CMRUNRRWBXKYAA-UHFFFAOYSA-N;141.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389718;MM389718;C=CC1(CO)CC(C)(C)C1;GXWCZIVAIKSJNO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;